smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCS(=O)(=O)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 71555124 BNXPDTLXHMGOGQ-UHFFFAOYSA-N 402.494 1.474 30 10 HDEE COc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 254843345 NGLWBPGZSCMPHT-OCCSQVGLSA-N 412.489 1.552 30 10 HDEE CS(=O)(=O)CCN1CCC(Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 301386524 CSQBYBWMOAGDNX-UHFFFAOYSA-N 403.464 1.936 30 10 HDEE N#Cc1csc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 437295282 RLAQIZUADKRWBJ-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)CN(C)C 443225052 KJJWYMITROSQKV-MRXNPFEDSA-N 421.567 1.550 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cn1 462077075 PSUOMYVMQSUJEI-AWEZNQCLSA-N 414.372 1.979 30 10 HDEE COCc1nc2n(n1)C[C@@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)CC2 466295664 FLFQQNBVTIGZOT-CVEARBPZSA-N 412.494 1.673 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cc(O)nc4ccccc34)CC2)c1C#N 472070900 WYRRKLHFVZIMIN-UHFFFAOYSA-N 405.462 1.886 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3OC)CC2)c1 478461978 SAIZDINALDWCGX-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 487390320 KBANWYMELJAVBN-VHSXEESVSA-N 421.397 1.312 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C[C@@H]4CCCCN4C)CC3)cc2C1=O 501143281 QPUKJEZFYKZVNB-SFHVURJKSA-N 410.518 1.711 30 10 HDEE COC(=O)CC1(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CCS(=O)(=O)CC1 504840409 QXEMBHCYHFNTKM-UHFFFAOYSA-N 419.381 1.212 30 10 HDEE CN(C)CCC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505519149 DJGIYPDYWFCVER-IBGZPJMESA-N 411.506 1.954 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507369084 KUYDYWPZKGIGRR-IBGZPJMESA-N 415.556 1.814 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 508815522 BLXNACGUURCQOE-IRXDYDNUSA-N 411.510 1.658 30 10 HDEE COCCN(CCOC)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 511394441 APVIWUNTOZGYHZ-UHFFFAOYSA-N 413.515 1.586 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)n1 512964601 SERSXFYFSCOACW-UHFFFAOYSA-N 412.425 1.387 30 10 HDEE CCN1CCN(c2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2F)CC1 537152541 BJRCHGKGCCVPAW-UHFFFAOYSA-N 413.501 1.849 30 10 HDEE CN(C)CCOc1cc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccn1 544856844 SGXCKNSUDCGYLW-UHFFFAOYSA-N 409.494 1.320 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544863036 LATYTQZRWZSBAN-INIZCTEOSA-N 413.503 1.277 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCN3CCN(c4ccccc4)CC3)CC2)n1 546174701 IIDLJSNRBHMDDA-UHFFFAOYSA-N 419.533 1.607 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@@H]2CCCO2)cn1 549897180 IXRDJXWWFLDQLV-SFHVURJKSA-N 419.493 1.451 30 10 HDEE CN(C)c1nccc(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 557556094 LSHOYUXCBJSRDM-KRWDZBQOSA-N 423.496 1.728 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 566787771 IORDWBOAJYGMRR-UONOGXRCSA-N 418.469 1.486 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCCN(CC)C(=O)C1 579648445 CSXUOKVNTWPXIK-UHFFFAOYSA-N 410.526 1.697 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590342963 XDKNOUACBRWVON-ROUUACIJSA-N 404.474 1.507 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCN(C4CCN(C)CC4)C3)cc2C1=O 601472683 OMUUCMGNUVHVIC-SFHVURJKSA-N 410.518 1.709 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1S(=O)(=O)NCC#N 609533790 CHMSAMHLMRYTQQ-QGZVFWFLSA-N 418.519 1.272 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1=O 611973757 LBZJDJWYMZQQLI-RTBURBONSA-N 406.490 1.568 30 10 HDEE COc1ccc(N2CCC(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732458068 DQZDUQVOTHOFTR-FMQUCBEESA-N 413.478 1.490 30 10 HDEE CN1CCN([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2cccs2)CC1 732699898 DLQCMITUNVLFTH-MSOLQXFVSA-N 402.568 1.418 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732706175 HTMBNTCUVJELFM-QINHECLXSA-N 411.506 1.437 30 10 HDEE CCN(CC)CCCCNC(=O)[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 733160247 DPCQJWMZEJPYRE-SFHVURJKSA-N 408.568 1.988 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Oc2ccc(F)cc2)CC1 734394373 GKZKHIIUFFBGKI-UHFFFAOYSA-N 417.462 1.934 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 734975175 RBIAVRQKZQSARJ-ZDUSSCGKSA-N 401.444 1.532 30 10 HDEE CN1CCC(N(C)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 737199851 XBIBMQFQVJIJAF-NRFANRHFSA-N 424.549 1.354 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741453436 UOBJAIBIZSFGBB-MRXNPFEDSA-N 419.551 1.131 30 10 HDEE COc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cnc2c1cnn2C 757580038 HOQGCJOMKLKWID-RISCZKNCSA-N 400.439 1.466 30 10 HDEE COc1ccc(N2CCN(CCNS(=O)(=O)c3cccnc3C#N)CC2)cc1 758117518 FDEGBPUQCKBAQO-UHFFFAOYSA-N 401.492 1.062 30 10 HDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 769432795 GEYFGKQZZAPEJY-MRXNPFEDSA-N 406.433 1.444 30 10 HDEE C#CCN(C(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@@H]1CCS(=O)(=O)C1 769682312 OXPFMSXKOIFPGD-VQIMIIECSA-N 419.478 1.003 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCc2ccc(OCC#N)cc2)c1OC 771750010 DRJSUKHFKGRFRL-UHFFFAOYSA-N 420.443 1.871 30 10 HDEE C=CC[C@]1(C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)CCCN1C(=O)OC(C)(C)C 790581306 JJAJTCPNZYFBBB-YCRPNKLZSA-N 422.526 1.185 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802486701 VYNQLIWGHGTJSU-LAUBAEHRSA-N 411.462 1.479 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 804894311 AHVCCWPJJVTZDS-UHFFFAOYSA-N 400.479 1.416 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C)[C@H]1CCS(=O)(=O)C1 809841214 AOJZEFHJUBIRJC-HNNXBMFYSA-N 404.492 1.420 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 809897164 XRPQANASWWYRNH-GJZGRUSLSA-N 420.514 1.487 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812051509 REQFUTANIIRUNI-WBVHZDCISA-N 403.508 1.117 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 812185740 CEXSAVMONAPMMI-HZPDHXFCSA-N 418.498 1.891 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(F)F)cn1 814709640 DIEGIGKYUNPYIU-CYBMUJFWSA-N 416.498 1.558 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814996206 MLGZVEPDLPVMFJ-VIFPVBQESA-N 410.832 1.198 30 10 HDEE CC(C)C[C@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCNC1=O 1125136598 JEPQVDQYRSVEEE-AKWGVZKHSA-N 420.535 1.990 30 10 HDEE C#CC[C@@H](COC)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1131718361 QGHGPFPKNGZCHT-HNNXBMFYSA-N 406.280 1.675 30 10 HDEE COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1137846200 DKLWEVVJTHBMNX-LIRRHRJNSA-N 407.492 1.353 30 10 HDEE COCCOC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1146283504 CRLKGICAILYANH-GOSISDBHSA-N 414.462 1.417 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1154896527 VESCMXSLDQHZOU-LJQANCHMSA-N 400.504 1.840 30 10 HDEE COCCn1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1155203527 BBKUHJYEVBFYJH-BQIYRTECSA-N 417.510 1.933 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)c1 1168653955 WIBDECGVVRBCRG-UHFFFAOYSA-N 406.442 1.564 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(-c3ccc(F)cc3F)on2)c(=O)nc1O 1176914177 HQQOSJYUDXUCKE-UHFFFAOYSA-N 401.329 1.460 30 10 HDEE C=CCCC[C@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1177958350 GFZUIYYLTJWPFL-IBGZPJMESA-N 417.506 1.955 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2ccnn2-c2ccccc2)cc1 1178112622 LRXWJVRXBMDUSS-UHFFFAOYSA-N 409.471 1.381 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196689978 DRNMSCGTBBZWMW-OLZOCXBDSA-N 401.872 1.470 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H]1CCCOC1 1197844296 BTVTYSCEGHVGDB-SQNIBIBYSA-N 406.552 1.488 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC[C@H](CC#N)C1 1197929129 DKQYLVJYQRDJQB-OAHLLOKOSA-N 422.507 1.874 30 10 HDEE C=CCC1(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1282500863 VDZAHEGLOSTBLJ-VMJIZDNZSA-N 402.535 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1286275085 MUJLDLWLMAOFGQ-CKJXQJPGSA-N 403.527 1.691 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1286335299 JAQKTCYIRYZGIF-HNNXBMFYSA-N 415.498 1.914 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286390716 BHPVCFNUOLHETN-GOSISDBHSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccs1 1286468964 BLTQVFJCXKCOMN-OAHLLOKOSA-N 403.508 1.707 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1286473097 ONICGBCARWBIKW-JOCHJYFZSA-N 408.550 1.633 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCOCCCO)CC1 1286495375 ZNWVISJUTAONLV-UHFFFAOYSA-N 405.543 1.232 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1286506113 FJAWBDMUQSQRCN-INIZCTEOSA-N 418.567 1.533 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1287013244 ZERJVQCJFZSGIR-RDJZCZTQSA-N 414.485 1.788 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1288517767 FXZANOLETBASKZ-VYDXJSESSA-N 412.498 1.368 30 10 HDEE C#CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1293535225 WCJXRUGSBTUERY-UHFFFAOYSA-N 403.416 1.202 30 10 HDEE C=C[C@H](COC)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1296764666 ANSQWSHIQDBGSR-VLIAUNLRSA-N 414.499 1.651 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccn1 1296804997 KYEPKFOBZXQWOL-LJQANCHMSA-N 419.434 1.726 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1300412227 ZLPAPVQPLUNOGK-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1300421782 RGZDKYHZJXYTIO-CVEARBPZSA-N 417.535 1.923 30 10 HDEE C#CCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1300424364 FHZYTNGCHZJNCG-RXVVDRJESA-N 414.510 1.655 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1300972156 HFQSDOWGYMGQHB-UHFFFAOYSA-N 418.542 1.458 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1301422297 GDSBJBSTJPPYMT-QGZVFWFLSA-N 404.515 1.127 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1301958291 ALBKCXKEWLWZEG-CQSZACIVSA-N 421.498 1.620 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1301968398 LTMWQNIHWLXPGA-QZTJIDSGSA-N 403.575 1.794 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1303641323 QGWIZLONSMNUBH-BBRMVZONSA-N 413.457 1.735 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCc3ncn(C)c3Br)CC2)o1 1304153482 LOLCMEHCOUELHP-UHFFFAOYSA-N 421.299 1.926 30 10 HDEE C#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1311683324 LARXXUPBDCUJHK-UHFFFAOYSA-N 402.432 1.354 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1313025160 FCTUOZHMEBRAOE-UHFFFAOYSA-N 409.494 1.615 30 10 HDEE CCCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1313492198 ALVFLAHFHBOINH-HNNXBMFYSA-N 423.525 1.449 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1316069469 GDGAJCUMMKBPBN-GOSISDBHSA-N 411.510 1.097 30 10 HDEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1Cc1cnnn1C 1316099614 ADIXRVAICPTQLN-UHFFFAOYSA-N 405.466 1.970 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)CN(C)C1=O 1316099805 LUXAJARUSWGBBQ-NRFANRHFSA-N 412.494 1.798 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1316263727 IGYVTSVTQVWQIE-APWZRJJASA-N 415.494 1.720 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1319963595 NAJZASZTFJMUHR-UHFFFAOYSA-N 408.448 1.693 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCO2)CCN1C1CC1 1348740046 BJWOZQKVZQGKCM-QZTJIDSGSA-N 413.526 1.260 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CCOCC(C)C)CC1 1358761297 GITLUSKGKBBERY-JRHPMUGDSA-N 402.535 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1358877212 ZCSLNFQALPVHSQ-HNNXBMFYSA-N 418.519 1.351 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1358937300 OWZCFPBXSAYHQQ-UHFFFAOYSA-N 410.522 1.572 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1358950717 WLLRIHSNYQZAAE-QZQOTICOSA-N 404.474 1.773 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965952 FJIRIOMALVLEKP-MOPGFXCFSA-N 419.595 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ncn(C)n1 1358968757 XTAYHNMCJFSEPY-UHFFFAOYSA-N 402.462 1.397 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1359010045 FFSXJGOIIPVQIQ-GNZRSQJKSA-N 421.567 1.651 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(C)CN(C)C1=O 1359025150 FBNWUBALDJGFRI-NRFANRHFSA-N 417.460 1.711 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC(=O)N(C)C)CC1 1359033344 YTRCZMHPKIUACZ-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359121984 QZQAMQQWZQYWSE-DLBZAZTESA-N 420.539 1.167 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359130943 CMZSDPBMSDUYCD-SFHVURJKSA-N 413.526 1.486 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1359277555 PEKVGNLECBGRHB-DLBZAZTESA-N 421.567 1.958 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](OCC)C1 1359307045 YZZZZVCEDQZRND-BQFCYCMXSA-N 407.515 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1359327631 GXFRQZBZFRTNMX-SFHVURJKSA-N 401.492 1.637 30 10 HDEE COCCNC(=O)C1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1451046322 MOSZIEWKZZRDQW-UHFFFAOYSA-N 421.295 1.168 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)cc1 1451236196 HNNVZWVPHQKVKJ-KRWDZBQOSA-N 424.519 1.296 30 10 HDEE Cc1nsc(N2CCN(C(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)CC2)c1C#N 1457838606 VIBRLZIXGIKTGU-ZBFHGGJFSA-N 406.508 1.673 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 1460486339 DYDOAGPADJLSTL-JXXFODFXSA-N 420.535 1.659 30 10 HDEE C#C[C@@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1468172142 CBEQYGCBKRYQHW-KKSFZXQISA-N 419.547 1.988 30 10 HDEE CC(C)OC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1468278632 HKTWVUJEFYZKGE-KRWDZBQOSA-N 409.508 1.598 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H](C)COC 1470065820 RYQWSCYMNZLSKC-HNNXBMFYSA-N 412.508 1.566 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)c1 1470670999 CBLZDLRWRYMPTR-UHFFFAOYSA-N 422.489 1.619 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035457 IWDUIPVCJFVHSK-LIRRHRJNSA-N 402.451 1.639 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1477631277 RWJPDDJNEBNZNQ-OPYAIIAOSA-N 412.534 1.833 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1478504286 GMMYPSASEPFPSM-RCCFBDPRSA-N 406.508 1.359 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)n1 1492519584 RAKFAKNPJICTGH-ROUUACIJSA-N 412.494 1.963 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C)=C(C)C1 1503832100 UEGFGFIIYNRGGQ-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2COCCO2)CCO1 1505323831 ZBRGBWNWQHJFFA-CABCVRRESA-N 419.432 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1507519318 ZEODTCSIUFWFPB-LSDHHAIUSA-N 412.519 1.943 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N(C)C)CC1 1507726134 FTYNFKNCNGCNNT-UHFFFAOYSA-N 410.522 1.317 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507799917 SUEZAHXMILKJOG-HZMVEIRTSA-N 412.556 1.633 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507820727 LEBOPGINPRCVAX-HNNXBMFYSA-N 421.571 1.977 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)CC1 1507884208 FVPXITCEUOKTTR-QGZVFWFLSA-N 416.551 1.846 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1507986467 OGXGHNJFWAJMAZ-LJQANCHMSA-N 422.507 1.038 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC)C1CC1 1507992354 CDDPBIHDXAHLKH-CVEARBPZSA-N 413.544 1.191 30 10 HDEE C=CCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1508067397 KYYQOVANAXFDGY-HXUWFJFHSA-N 406.531 1.746 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508075910 BXJAHBJSDOIFGS-INIZCTEOSA-N 407.478 1.211 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cnn(C)c1 1508143730 KHQNDSFPKDLVJQ-UHFFFAOYSA-N 415.523 1.235 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1509757813 HDNZCZZBFUPKES-UFRUDQCGSA-N 408.506 1.939 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)n(C)n1 1511649754 BPOKAJBBZUHJDJ-QGZVFWFLSA-N 404.478 1.609 30 10 HDEE CCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1514422699 OVZBCEDXRFPZBN-VLGSPTGOSA-N 415.498 1.277 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)C1 1521069865 UYZRWKQVUXPFJB-OXJNMPFZSA-N 420.489 1.286 30 10 HDEE C#C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)c1ccccc1 1530132388 ATZWBSSQRHGCCD-NRFANRHFSA-N 411.527 1.938 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)nn1C 1530306623 PBMNGEBDXMRNKJ-GFCCVEGCSA-N 404.496 1.612 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1533968323 OLGPEQNXYRCPGS-KRWDZBQOSA-N 403.504 1.025 30 10 HDEE CC(C)C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCNC1=O 1534106622 XDJBGTZMXDJLNR-MCIDSYJDSA-N 420.535 1.990 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539001765 JIKBVYVTRJOKJU-MRXNPFEDSA-N 419.489 1.708 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1539017346 ZXKLGNMQUIWIGV-BEFAXECRSA-N 423.477 1.423 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539290434 HRKAYSOXKRFYBF-IBGZPJMESA-N 412.582 1.981 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C)n1 1539396168 LJVYVMWQNFUIKB-UHFFFAOYSA-N 419.489 1.958 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3(c4cccc(C#N)c4)CCOCC3)CCC2=O)cn1 1539535524 LXOJUCBBMAHBNG-KRWDZBQOSA-N 407.474 1.857 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1539548134 GJRXRSKNWIGYKZ-OAQYLSRUSA-N 424.530 1.844 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1540003155 JQUZQVIZOLEOJS-UHFFFAOYSA-N 400.439 1.114 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@@H]1C 1540862389 AOSLLDOWBBMDDV-KGLIPLIRSA-N 418.523 1.272 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 1540873093 MIWXNSNXCIPUMD-CQSZACIVSA-N 403.556 1.466 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(C)(=O)=O 1541118670 FNGYLIQPPCYCGC-HNNXBMFYSA-N 400.508 1.922 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1541989036 FFUCYQZGCHLGMR-QFIPXVFZSA-N 421.505 1.549 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1 1544420143 BFOPIKQYJQYGJT-AUUYWEPGSA-N 406.508 1.902 30 10 HDEE COCC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555453068 DTAZWCNWGXABEP-HUUCEWRRSA-N 419.507 1.556 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1556132586 PCCZTJQOBKANKX-KGLIPLIRSA-N 424.498 1.234 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1556742392 NTOUGGAZQNAEQG-HNNXBMFYSA-N 407.341 1.801 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C(=O)OC 1556969705 BPEVXNZMCKWVED-HZPDHXFCSA-N 412.533 1.076 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1564560159 XSCWDZOXUCCUQC-IBGZPJMESA-N 413.499 1.945 30 10 HDEE CC(C)(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1cccc(C#N)c1 1584358889 FXXRMRROYPBISE-GOSISDBHSA-N 410.449 1.652 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1)C1CCN(C)CC1 1585115477 RPQJDLWHQVMHNE-UHFFFAOYSA-N 408.520 1.424 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)c2C#N)C1 1586958209 IIFPVPWQMVWCPK-ZIAGYGMSSA-N 414.487 1.638 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587766151 PLGGQFWQRDZINL-KRWDZBQOSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1588050018 OZFUQIXDIDROHV-MRXNPFEDSA-N 415.519 1.312 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588064178 CDSKBYVAQGLGPY-WMZOPIPTSA-N 413.547 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN(C)Cc1ccccc1 1588159369 URVWFOCEAJUCOI-UHFFFAOYSA-N 404.518 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CN(CC(C)C)CCO1 1588214110 IORZLSKUJUBGAT-LJQANCHMSA-N 407.522 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(C)=O)CC1 1588250605 GWSHXKGGNPYAEW-UHFFFAOYSA-N 421.549 1.861 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589589407 HUWDHFVKTHNLJC-OAHLLOKOSA-N 412.560 1.100 30 10 HDEE C=CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1594659703 FPJBBXNNFBDEHB-FQEVSTJZSA-N 406.531 1.748 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1)C1CC1 1595065250 LJTWHPBNWIFMHO-UHFFFAOYSA-N 417.535 1.966 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1595239001 CTTYWMGKRHCATB-WZONZLPQSA-N 422.533 1.943 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cn2ccsc2n1 1595307836 NOFZUESFUIHRKY-UHFFFAOYSA-N 415.523 1.797 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595562311 UJOBALBMCUQKSK-CABCVRRESA-N 416.507 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1595811899 GFRVMMCXYZHOBM-HOTGVXAUSA-N 405.524 1.478 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O)C(=O)OCC 1596777748 LAHUDESIXVVTEL-BZPMIXESSA-N 413.902 1.924 30 10 HDEE N#CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 1598394747 NHWCEOCQHPWHKI-QWHCGFSZSA-N 420.369 1.709 30 10 HDEE C=CC1(CC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)CN(C(=O)OC(C)(C)C)C1 1607289089 TVBZDKSNQYBXOC-KBPBESRZSA-N 410.467 1.220 30 10 HDEE CC(C)OCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1611016368 DEUBDJFWJFUATP-OAHLLOKOSA-N 416.482 1.940 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)N(C)C 1611511145 KQUPYMSPAXYHNC-BTYIYWSLSA-N 409.494 1.798 30 10 HDEE C[C@H]1C(=O)Nc2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc2N1C 1611648770 INUZZQVGQPOQIG-ZDUSSCGKSA-N 422.441 1.981 30 10 HDEE CC1(C)CN(CCn2c(-c3cnccn3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1611767109 HJSVQXXKDCFUAV-OAQYLSRUSA-N 410.526 1.976 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CCC1 1613987649 VKDUCEAEZXYVCG-NDEPHWFRSA-N 400.508 1.677 30 10 HDEE CCC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1614344109 APDQPFPQLANCFN-VDGAXYAQSA-N 407.515 1.599 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615841858 HDSPXPFBLUTIOX-DBXWQHBBSA-N 419.549 1.988 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1616239074 JHHLTYDZXDSAHT-GOEBONIOSA-N 403.426 1.974 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1617907694 HSYZHTHYSHKENV-UHFFFAOYSA-N 415.519 1.603 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1619990611 WLONCBWSJWLYGR-XJKSGUPXSA-N 415.491 1.021 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCN2CCC(O)CC2)CCO1 1620356735 HMJSBTCFEJGFOX-LJQANCHMSA-N 402.543 1.586 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 1622395484 AFVWPCZUBOAFRD-IBGZPJMESA-N 405.458 1.007 30 10 HDEE COc1ccc([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)c(Br)c1 1624224408 CXWOCIYTASLWTO-VIFPVBQESA-N 407.224 1.469 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1OC 1627355499 BLKSNJZGEXPATB-QGZVFWFLSA-N 417.487 1.980 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C#N)c(OC)c2)c1 1628375913 RLJXAJNMXHZMPG-GFCCVEGCSA-N 416.459 1.232 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cn2ccnc12 1632880612 VFCMEHZAPFYAHT-DTQAZKPQSA-N 404.224 1.353 30 10 HDEE C=C(C)C[C@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OCC 1633297716 ZEYPXYMSNRYQOC-VIFPVBQESA-N 401.349 1.340 30 10 HDEE C[C@@H](O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)C1 1633634038 QLGHMKOYOORFOK-ZIAGYGMSSA-N 421.339 1.670 30 10 HDEE C#C[C@H](NC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)[C@@H]1CCCO1 1634470431 TUDYFLKWRMDVET-ROUUACIJSA-N 407.511 1.977 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2cccc(Nc3ccc(C#N)cc3)c2)c1=O 1634647026 VBXOJXVPVHOTLU-UHFFFAOYSA-N 403.442 1.982 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1635151913 YDNIJLMGTPNENZ-INIZCTEOSA-N 409.527 1.822 30 10 HDEE C=CCOC[C@H](NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)C(=O)OC 1635159036 RBHGKGFKQXQIIG-HNNXBMFYSA-N 416.409 1.020 30 10 HDEE C#CC[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1636838657 HDKPVYOGQKULJP-OWCLPIDISA-N 414.531 1.836 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 1636929123 QAJDQGFAOXPCLU-ZIAGYGMSSA-N 404.467 1.928 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)cc1 1637719147 DTAPVBKQEAKCNQ-UHFFFAOYSA-N 419.478 1.930 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 1638075795 UZYURUTWYLJWMS-HNNXBMFYSA-N 402.438 1.779 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cs1)C(N)=O 1639961536 DKNGWPDWTNATTL-IAQYHMDHSA-N 404.517 1.715 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)s1 1640452229 YGMIMUHMOZQWGP-GJZGRUSLSA-N 413.565 1.077 30 10 HDEE CCOC(=O)c1c(NC(=O)CN(CC#N)CCOC)sc(C(=O)N(C)C)c1C 1643321284 ONCKZKYEOYDTSP-UHFFFAOYSA-N 410.496 1.346 30 10 HDEE Cn1ncc2c(N3CCN(C(=O)CNC(C)(C)c4cccc(C#N)c4)CC3)ncnc21 1643799077 DNCDQPUWAWIDMT-UHFFFAOYSA-N 418.505 1.408 30 10 HDEE Cc1nc([C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[nH]c1C 1645370138 ADTXZBHAUGFAKB-PBHICJAKSA-N 401.492 1.929 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 1645693401 DREIHLUFIKSYIN-GOEBONIOSA-N 401.492 1.365 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2nnc3c(=O)[nH]ccn23)c1 1648199956 HAXLVIDXMCDOTM-MRXNPFEDSA-N 407.478 1.802 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1S(=O)(=O)NCC#N 1651324373 FLJKKYNKZPNQIV-KRWDZBQOSA-N 421.906 1.784 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)C1 1662708275 MLKQBOGYFNADHD-AWEZNQCLSA-N 404.579 1.654 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1663063006 SAHGBQDEOLNEBS-NRFANRHFSA-N 410.315 1.042 30 10 HDEE C#CCCOC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1666002638 GXUWDQOOTKKQPN-UHFFFAOYSA-N 401.282 1.915 30 10 HDEE Cc1nn(C)c(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl 1672624154 FTSBOPZYXQRGSU-UHFFFAOYSA-N 422.898 1.792 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCc1nc(C#N)cs1 1682169004 DGOLASPQSPEZOR-UHFFFAOYSA-N 413.912 1.754 30 10 HDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1687797784 MUMVNKHGYXNLQM-HIFRSBDPSA-N 401.467 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1689849404 LSGJQUYSNPJZKI-RHSMWYFYSA-N 410.478 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1689867200 QCTZAIOKNVROOM-ARFHVFGLSA-N 411.572 1.546 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1690104597 AHPUABOSQKRKDM-QFIPXVFZSA-N 413.522 1.030 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690308502 PWMIESKDBAZBGO-INIZCTEOSA-N 422.555 1.632 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690343861 GAUMAMOMXPXSAU-WMLDXEAASA-N 400.932 1.940 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690467373 UZDDSRKFGCBTBQ-MRXNPFEDSA-N 409.556 1.770 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690490104 PFVPYKQSFLWKLT-SFHVURJKSA-N 402.543 1.525 30 10 HDEE C=CCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1690653105 CIXCVPJGCZHDLJ-IBGZPJMESA-N 419.555 1.993 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1690678061 JLBLJZDKTVMYMJ-BFYDXBDKSA-N 418.542 1.201 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[C@@H]2COCCO2)CCOC1 1690995495 JRXPJSSMEKCMTP-HLIPFELVSA-N 407.515 1.720 30 10 HDEE CC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1693924657 SWENBZGCEQKCPF-XLIONFOSSA-N 415.567 1.971 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cnnn1 1694262204 YWSSMLSMFLZVGD-ROUUACIJSA-N 407.482 1.626 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(OC)CCOC2)CCOC1 1696045422 CANMPLYHLJMXSI-NHCUHLMSSA-N 419.526 1.866 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(=O)N(C)C 1696298975 PNOHUPDQLOYUKH-UHFFFAOYSA-N 413.482 1.218 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696588754 LSKULBHJALNOTQ-QGZVFWFLSA-N 424.465 1.118 30 10 HDEE CN1CC[C@@](O)(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1696877808 CIHQHKPOWGIEKX-QHCPKHFHSA-N 417.517 1.839 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1697043644 XLDZWFJHJDJUNV-ZDUSSCGKSA-N 421.417 1.438 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705510683 VZFPOSOBHMYWLH-DOTOQJQBSA-N 419.555 1.767 30 10 HDEE C#CCN(c1nnc(C)n1CC1CCN(CCC(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1705560934 LYEHAXIVFVEIAT-HXUWFJFHSA-N 421.611 1.971 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705563111 QWPYNRMTHVYPDH-KRWDZBQOSA-N 419.551 1.813 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705672502 AXGTWYMDVOUAPD-ABSDTBQOSA-N 421.567 1.793 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](SC)C1 1705894008 KRLVSKUIDMRZAU-HNNXBMFYSA-N 406.556 1.538 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1705912019 WUTSTLCSKPHPSQ-SFHVURJKSA-N 419.551 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(c2nccs2)CC1 1705934291 ICHWALQFQAXLBG-UHFFFAOYSA-N 422.580 1.930 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1706034245 BCNBFQIVDYZPLT-SFHVURJKSA-N 419.493 1.461 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1712181941 BESILOPMVNTCNF-HOCLYGCPSA-N 416.457 1.380 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CCCN1CCN(c2ccncc2)CC1 1722301103 ACYSAAZWYKCQLD-IBGZPJMESA-N 411.554 1.880 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722322875 WVOFIBOTIHRQLJ-MRXNPFEDSA-N 401.515 1.166 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1722379596 VGGDKKLKVAWGMX-UHFFFAOYSA-N 422.518 1.093 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1722410957 URRRETSULOQMCN-GOSISDBHSA-N 424.505 1.690 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CC1 1722436348 DNLSQIGIKXXQHF-ZDUSSCGKSA-N 416.473 1.280 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722540854 HSSKXPYUKZHHMD-OAHLLOKOSA-N 406.918 1.858 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCCC2)CC1 1722559663 DNNILDBYCGTQFL-DLBZAZTESA-N 410.588 1.919 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nncn2C)CCOC1 1723683321 UUARAGPRLVDMTE-PMACEKPBSA-N 414.514 1.626 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1nnc(C)s1 1727605636 FQOQKMJLLPVUNA-UHFFFAOYSA-N 409.523 1.836 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1729724938 XZLQBDHAUQEOEO-QAPCUYQASA-N 412.494 1.726 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1731188900 JLFKYYSENWRYQS-QGZVFWFLSA-N 421.461 1.528 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740587390 INXWTZHNBGCMQQ-INIZCTEOSA-N 418.523 1.179 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCC=C 1740607195 HXPRRKSNLNIEMI-UHFFFAOYSA-N 402.524 1.900 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740665705 NGVHBSTXJWBHSI-INIZCTEOSA-N 417.535 1.695 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1740684637 XJWRYMZOBJWHOA-GDLZYMKVSA-N 419.507 1.003 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1740717405 ROMFLTPQOAMCLR-ZNMIVQPWSA-N 414.622 1.877 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740886574 LKFIJPVLNMWTQF-IAGOWNOFSA-N 416.526 1.241 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1740940497 IJHFGLOHXUHGKG-BEFAXECRSA-N 408.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740966134 PSJCORQRVNAEPV-JKSUJKDBSA-N 418.542 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N(C)C)C1 1740972983 PIPDLQLLTDIPDO-DYESRHJHSA-N 421.542 1.578 30 10 HDEE CC(C)[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1741131688 HBNZKOYFFIRTMS-KZNAEPCWSA-N 422.599 1.896 30 10 HDEE CC(C)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1741629771 MLWVHIWFWDJLEU-HNNXBMFYSA-N 418.523 1.224 30 10 HDEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1745668237 CLINVGGRDDTARN-KRWDZBQOSA-N 418.523 1.529 30 10 HDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)n1 1748069086 APXDCUROTPVYSR-ZDUSSCGKSA-N 419.371 1.156 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCOCC1CCOCC1 1748685068 UHGHFRKECDUSQU-QGZVFWFLSA-N 403.527 1.692 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1748929512 LGPHNTHOOLIAOE-UWJYYQICSA-N 416.547 1.938 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(OCC(N)=O)CC1 1749135674 HMOVWSNGHPQFBI-OXJNMPFZSA-N 403.527 1.683 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1752476590 INNAWGPYNKGBAX-IBGZPJMESA-N 423.521 1.838 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1760116037 DNAHSBHBBMBGRY-ZJUUUORDSA-N 411.272 1.626 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760183761 DJARETPLCDIOGC-MSOLQXFVSA-N 418.519 1.233 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760210605 UKZWUOHNYREXHU-XSLAGTTESA-N 403.552 1.787 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1760294511 ZDTRTIGOTHCXPU-QMTMVMCOSA-N 405.524 1.189 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1 1760335165 LTUZWZJUGJQNKC-PKOBYXMFSA-N 411.510 1.775 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760358459 WCIRCKYVFOUUDF-UXHICEINSA-N 419.570 1.923 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1760521597 YCZFGOXSLQAFJF-HNNXBMFYSA-N 404.515 1.951 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)C1 1760545264 QVYXVQYMWQRSCJ-SJORKVTESA-N 418.542 1.121 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)F)CCOC1 1761273489 CSOPWWNDQNLUFZ-UGSOOPFHSA-N 414.457 1.438 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCn2cncn2)CCOC1 1761283258 NJEAZMVPQFOVNI-HXUWFJFHSA-N 414.514 1.740 30 10 HDEE CC[C@H](C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)OC 1763450547 JVVAOPBSPNXMLV-JJRVBVJISA-N 416.482 1.796 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1768140021 NBAMRMCNGUHQFR-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)c(OC)c1 1768477852 PSPLBAXLIMXANW-OAHLLOKOSA-N 410.478 1.981 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOC1=O 1770201867 FTGGHKMXXMHPMX-DOXZYTNZSA-N 422.461 1.286 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)C1 1771527777 FHXOHMRYYQEOJF-UZLBHIALSA-N 420.489 1.399 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1772788229 YHJXSRQVDFCQJZ-QGZVFWFLSA-N 410.382 1.778 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@@H]1CCN(C)C1=O 1848780969 ZFXZONXBBAQHBJ-CYBMUJFWSA-N 420.318 1.517 30 10 HDEE Cc1ccn(-c2cc(N3CCN(CC(=O)Nc4ccc(C#N)cc4)CC3)ncn2)n1 1849243631 LBASVLJZZDKDCK-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 1850690484 BVZPGHUOWUNRTM-QGZVFWFLSA-N 423.435 1.506 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H](C)n2c(C(F)(F)F)nc3ccccc32)NC1=O 1851637275 GKPDVQXIQUETBN-SECBINFHSA-N 407.352 1.937 30 10 HDEE CN(C)c1ccc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1 1851758525 NYESBMFGQBMREM-SFHVURJKSA-N 411.462 1.351 30 10 HDEE N#CC1CCN(CCNC(=O)c2cc(Br)cnc2N2CCOCC2)CC1 1852227247 YUSZAVJRULOMIS-UHFFFAOYSA-N 422.327 1.646 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)C[C@H]2COc3ccccc3O2)CC1 1852248137 NONLWVZEUVHOFD-SFHVURJKSA-N 408.458 1.849 30 10 HDEE CN(C(=O)c1ccc(N2CCOCC2)cc1)c1snc(N2CCOCC2)c1C#N 1852461778 MWHOHGCCKVPENT-UHFFFAOYSA-N 413.503 1.965 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)c1ccc(N2CCC(C(F)(F)F)CC2)nc1 1852616720 LTOQFLWGRHRVNN-UHFFFAOYSA-N 403.426 1.638 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F)CC2 1852735820 WPVNPSCNIBQZTN-SNVBAGLBSA-N 420.413 1.146 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN1CCC(C#N)CC1 1853038484 WGMMSZNBTSDEOQ-SFHVURJKSA-N 410.515 1.480 30 10 HDEE Cn1nncc1CN(C(=O)CC#N)[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 1853489033 RZNMDISTKHOAMV-INIZCTEOSA-N 412.885 1.633 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3csc(-c4cnccn4)n3)C(=O)C2)C1 1854238069 MVJIQFWQNVHTGE-OAHLLOKOSA-N 412.519 1.535 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(CCCC#N)[C@H](C)C2=O)cc1 1854281886 WTGHMDWVYKZCRR-MRXNPFEDSA-N 405.520 1.774 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc3nccnc23)CCN1Cc1ccc(C#N)cc1F 1855046623 XSBZPOBTWVLGRK-ZDUSSCGKSA-N 404.405 1.909 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1855069061 KFXZZHQEUPPIAJ-UTKZUKDTSA-N 400.454 1.121 30 10 HDEE COc1ccccc1-c1noc(C2CN([C@H]3CCCCN(C(=O)CC#N)C3=O)C2)n1 1855719048 IDOGTAAIFOSHLY-INIZCTEOSA-N 409.446 1.966 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)C[C@H]3CCCCO3)C2)CC1 1855858726 ZWLRWATVSDYGJM-PKOBYXMFSA-N 411.506 1.410 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)[C@@H]4COCCO4)C3)CC2)c(F)c1 1856165957 WDVSLKCBAXRKDA-QUCCMNQESA-N 415.465 1.700 30 10 HDEE N#CCCCN1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1856527048 FCWJKFNENVLHIC-UHFFFAOYSA-N 422.551 1.088 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)Cn4cccc4)C3=O)CC2)c1 1857013574 BVSSWIJWEJTLOT-IBGZPJMESA-N 407.474 1.673 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857056423 NANKFWWJBPFPDY-QFBILLFUSA-N 401.482 1.852 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866885725 QZEHVQUFZVAYHE-MRXNPFEDSA-N 421.862 1.101 30 10 HDEE N#Cc1ccc(COc2cn(CCCO)c(CN3CCC(C(N)=O)CC3)cc2=O)cc1 1870349468 ORYHONKYUJFFHO-UHFFFAOYSA-N 424.501 1.379 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCOCCO 1870452387 QGJBEQHMJKYQPO-UHFFFAOYSA-N 408.495 1.363 30 10 HDEE C#CCOc1cn(Cc2ccc(Cl)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870561669 XHGMUAHQSKMHSX-UHFFFAOYSA-N 415.921 1.672 30 10 HDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1882599025 LVPQSUQSTCNQLV-ZDUSSCGKSA-N 413.390 1.152 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C 1962794220 PMMPIJUEGBUDMI-GFCCVEGCSA-N 402.289 1.645 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1COC 1982283654 QAGCSEAKODPOFT-LBPRGKRZSA-N 413.334 1.793 30 10 HDEE Cn1ncc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2074367145 JNXCHVUSHPDBDB-WCQYABFASA-N 413.320 1.627 30 10 HDEE CN(Cc1nncn1C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116072258 AXAIHWOEOQVRSF-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE C#CCn1ncc(Cl)c(NCCn2cc(I)cn2)c1=O 2153473155 HJTMWXMPDJLVDJ-UHFFFAOYSA-N 403.611 1.443 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247671263 QIBJZZZWCFCSGA-HUUCEWRRSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2247830054 XDKGCYQYZWVYMT-UHFFFAOYSA-N 420.319 1.792 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2247916807 FCRPMLZBIJCRBJ-CQSZACIVSA-N 420.319 1.742 30 10 HDEE CC1(C)OB([C@@H]2C[C@H]2C(=O)NCCCNS(=O)(=O)C(F)(F)F)OC1(C)C 2281931234 SKSVOCQKFBUQAV-NXEZZACHSA-N 400.228 1.414 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(CN)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282309704 JSSOXKRXONGDEG-UHFFFAOYSA-N 400.375 1.763 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)CCN)ccc1B1OC(C)(C)C(C)(C)O1 2282311148 DQTVRZUJHGATAQ-RUZDIDTESA-N 402.347 1.039 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CN 2282352257 MBSVEHAHLUQDOR-GFCCVEGCSA-N 400.375 1.653 30 10 HDEE C[C@H]1CNC[C@@H]1CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282413176 AAERLBSKIQAWOT-STQMWFEESA-N 400.375 1.571 30 10 HDEE CCSCC[C@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508779 AYRWNRFNVTVOSG-LBPRGKRZSA-N 403.379 1.529 30 10 HDEE C[C@H](CO)CN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282829844 LDXHDMYRWMUIST-LBPRGKRZSA-N 403.737 1.888 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@]23CCOC3)OC1(C)C 2282835634 XMNWFNXQNQCIQQ-WBMJQRKESA-N 400.331 1.041 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H]4[C@@H](C3=O)C4(F)F)c2)OC1(C)C 2282848900 UELNLRQNMGHHGD-ONGXEEELSA-N 405.253 1.460 30 10 HDEE CC(C)SC[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854245 PDIKSJQSFFPGJA-LBPRGKRZSA-N 403.379 1.528 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284394593 AEMKBPFKARWXHK-JTQLQIEISA-N 419.717 1.456 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@@H](C)C[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284396783 FXOGHJHQHNIBGM-QWRGUYRKSA-N 401.315 1.592 30 10 HDEE C[C@@H](F)[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400815 YPJZJTOSHRMCEE-KOLCDFICSA-N 407.294 1.278 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)cc1O 2330718013 DBRSOWBLCOHXDN-UHFFFAOYSA-N 420.495 1.168 30 10 HDEE C#CCN([C@H]1CCOC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338817664 RJXXAFDYQGDAJF-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365254393 NRGMWEPNJHOZIJ-ZDUSSCGKSA-N 405.513 1.834 30 10 HDEE CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)c1C 96323358 GRAJBPDRYWVEPD-UHFFFAOYSA-N 419.482 1.677 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC#Cc1ccc(C(=O)N(C)C)cc1 96352207 OQISEKRAMWOQQS-UHFFFAOYSA-N 401.444 1.935 30 10 HDEE Cc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@H](O)COC(C)C)cc1 254652380 ARDMAAWNUMGGBG-HNNXBMFYSA-N 414.466 1.376 30 10 HDEE Cn1c(N2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)c(C#N)c(=O)n(C)c1=O 301854998 BRNTUTMDKIBJAY-UHFFFAOYSA-N 422.316 1.627 30 10 HDEE CCN1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(F)c1 301997451 UGVXUIBKCVSWLM-JKSUJKDBSA-N 405.861 1.996 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)cc1Br 432760402 NMEAVMQJEVOOIE-HNNXBMFYSA-N 406.261 1.926 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 438757645 PWTWHMCXZWFNAP-UHFFFAOYSA-N 404.492 1.782 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 463537907 ALFDNKTTZYRRDM-MRXNPFEDSA-N 408.437 1.729 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 464198174 KETRIGCNRGDRRF-JWTNVVGKSA-N 404.536 1.498 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 480717545 UBIGWRLUBFPSRC-RXVVDRJESA-N 417.506 2.000 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@]2(CCOC2)O1 483173609 CHHCWYOCPQZDSM-DYESRHJHSA-N 418.563 1.727 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 501066515 FJSSZWISGJNQDC-RTBURBONSA-N 423.355 1.324 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)nn1 502096286 ZXBHKVYNVWYFFC-UHFFFAOYSA-N 409.421 1.654 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2C)CC1 508422645 QNIKKVFVRYNZOK-OAHLLOKOSA-N 402.474 1.518 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508472339 JTYZJDHZJJIRLL-OALUTQOASA-N 409.490 1.968 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ncccc2C#N)CC1 510999505 FSVBHUMTFMQNSV-ZDUSSCGKSA-N 405.505 1.030 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCSC[C@@H]3CCO)CC2)cc1 511362620 PUNAFEGUQNKEII-KRWDZBQOSA-N 423.560 1.285 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccc(F)cc1 530893649 LQVOMCMKWBDEJY-UHFFFAOYSA-N 410.455 1.220 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 538136904 ZZXFCCHTVWUVBA-UHFFFAOYSA-N 417.535 1.351 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3sccc3C)n(C)c2=O)c1 539596768 DXILGTGJSHGENP-UHFFFAOYSA-N 411.508 1.915 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCCN1CCOCC1 539675032 OLVXRYFNHMTTIU-PXNSSMCTSA-N 412.534 1.835 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 542702641 LQHJQRXPSHUBTC-XHSDSOJGSA-N 416.565 1.569 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)cnc21 542966376 BIXFOSGVSFXBQJ-UHFFFAOYSA-N 408.809 1.479 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ncn(C2CCCCC2)n1 544245618 DFDZGWRULDKHJI-ZDUSSCGKSA-N 402.480 1.960 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)cc1 546875415 SWKBARRZTRWDCD-SFHVURJKSA-N 419.485 1.659 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccnc(OC4CCOCC4)c3)CC2)n1 546881540 GNMLBJJFYATJDN-UHFFFAOYSA-N 422.489 1.938 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 553886418 KZMRRRFKBYWJQN-ZBFHGGJFSA-N 415.446 1.895 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 559371514 LPZBNBNFZVCQGP-ZBFHGGJFSA-N 407.517 1.613 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 604165398 CIUPHCLXZBTVTD-UHFFFAOYSA-N 414.428 1.757 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(F)cc1 612820054 OLMOSJFGXUURIV-AWEZNQCLSA-N 402.451 1.603 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 623010690 WELJZHOTIABOTN-UHFFFAOYSA-N 423.538 1.433 30 10 HDEE CCN(CC)C(=O)C1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726590294 WNEVCAWEONMGRH-UHFFFAOYSA-N 411.506 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 732010743 DZSFIWLVGXIONJ-OAHLLOKOSA-N 422.507 1.618 30 10 HDEE CSCC[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)c2ccccc2C1=O 732648959 LMCSGENLZCDDPY-QAPCUYQASA-N 412.515 1.603 30 10 HDEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl 732705917 IXOCOWQQMVELTI-CQSZACIVSA-N 404.854 1.654 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 734293019 CUIGJZOIHQAQDF-GJZGRUSLSA-N 403.460 1.237 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 735771146 KQBWYMVVZPVVHB-NVXWUHKLSA-N 423.491 1.350 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 746469032 IBLXBFVEWFLTEE-SSDOTTSWSA-N 403.350 1.193 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC(F)F)C1=O 751926529 VNNKWGCSEVZFMD-OLIJMITPSA-N 413.494 1.257 30 10 HDEE COC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470983 NUMQVMNKWJIHMI-FQEVSTJZSA-N 422.437 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 766235335 YYMSXGHRPCRESW-HNNXBMFYSA-N 409.464 1.140 30 10 HDEE C=C(C)CCOC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 771615670 HMXUCEDIWXKHCO-HNNXBMFYSA-N 423.940 1.931 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2ccc(F)cc2)O[C@H](C)C1)c1cc[nH]n1 772302776 RFSCIEIJCKTUAJ-CXAGYDPISA-N 418.425 1.821 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 774199373 JOLUQLCCXHFUCU-PMACEKPBSA-N 403.548 1.383 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 780854123 BABLRCWNLJVEEJ-SFHVURJKSA-N 421.425 1.403 30 10 HDEE C[C@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 790671521 PJEMORNNMBERPP-HXPMCKFVSA-N 403.822 1.695 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)cc1C#N 793627542 AGDUDLPGMSZVJT-INIZCTEOSA-N 416.478 1.603 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 794733954 HZGJPFQNUOPRBJ-INIZCTEOSA-N 416.478 1.959 30 10 HDEE Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 806782116 VDKYMMPUFLHIJC-GOBJLOIFSA-N 412.490 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 810516817 AAOHNWSNERXZEI-OAHLLOKOSA-N 411.455 1.709 30 10 HDEE CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)cc1[N+](=O)[O-] 820185718 QEJKMVIRTPFZSM-OAHLLOKOSA-N 412.402 1.612 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)NC(C)=O)cc1 916176928 FSEURIOUDCLLTC-SFHVURJKSA-N 401.444 1.639 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)NC3CCCCC3)n[nH]2)cn1 1084211183 UOUZSGFYKYCQIB-UHFFFAOYSA-N 406.516 1.635 30 10 HDEE COc1cc(C=NNc2nnc(SCC(=O)NC(C)C)n2N)cc(OC)c1OC 1084230845 QKKNQWOCOKIKBB-UHFFFAOYSA-N 423.499 1.080 30 10 HDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccccn1 1084479899 SQLPLCLEKVXQNW-UHFFFAOYSA-N 413.423 1.472 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1126469327 HZJKZQUNSRRGTL-UHFFFAOYSA-N 421.501 1.678 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccccc4)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1134280120 UBNJXWHNLFTCJO-SGTLLEGYSA-N 406.414 1.820 30 10 HDEE C[C@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H](C)O1 1134645939 ZPEJDQWMGVOECA-JRYVEOFUSA-N 417.531 1.306 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CCN2CCCC2)CC1 1135693380 FKMZVOKAYBLBBY-GOSISDBHSA-N 407.559 1.814 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)C(=O)OC(C)(C)C 1136726517 BTPTZKCTEZGJRL-HNNXBMFYSA-N 400.479 1.351 30 10 HDEE C=C1CC(C)(C(=O)N2CCN(S(=O)(=O)c3c(C)oc(C)c3C(=O)OC)CC2)C1 1141663108 QVFFVPBFZZHKOY-UHFFFAOYSA-N 410.492 1.872 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2cncc(Br)c2n1 1144428809 CAKKKDFJZWPGJA-ICFOKQHNSA-N 416.235 1.649 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(C)c1 1154157953 JZDFANQQMJIYKA-JMLKKNOCSA-N 408.524 1.359 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(I)c2N)CC1 1157759974 GGVHKGTTWMANFS-UHFFFAOYSA-N 413.215 1.792 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)ccc2c1=O 1158458594 JIWDLWBOIJNEEU-ZDUSSCGKSA-N 424.486 1.376 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(F)c(C#N)c(F)c1)CCS2(=O)=O 1158669846 KVTWQPWBAPJIQK-BJCXPLBRSA-N 412.414 1.465 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2ccc(Cl)cc2F)cc1 1170286745 HXLYANDIHWGZTL-UHFFFAOYSA-N 409.826 1.628 30 10 HDEE C#C[C@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1225030572 GESCXPARXPLYOP-WMZOPIPTSA-N 405.520 1.699 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2)cc1 1253451124 JIGPAPXWUPBVCB-HXUWFJFHSA-N 410.522 1.676 30 10 HDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1277745178 BKDZIYDFMLTJCR-NRFANRHFSA-N 406.490 1.874 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1286290139 PWUXCDVFQONEQC-CQSZACIVSA-N 407.478 1.269 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286380019 FZPSUIFDMHRVGN-IXDOHACOSA-N 419.551 1.358 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(c2ccccn2)CCC1 1286416697 VNEWHBQHCDCPAQ-UHFFFAOYSA-N 402.502 1.990 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286444173 RCVZVHFQYNXBTA-WMZOPIPTSA-N 423.521 1.357 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOC1=O 1286449191 NLODDPNPUCXQMP-UHFFFAOYSA-N 407.478 1.818 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCOCC(F)F)CC1 1286481252 AEXWMJZMJFEMFQ-UHFFFAOYSA-N 419.476 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)C(C)C)CC1 1286493429 ANFFEIKLPJGXQY-LJQANCHMSA-N 416.570 1.826 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1286741783 QLQMYLMTBKHANG-UHFFFAOYSA-N 417.535 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286787532 WBIFMPOSRBFSHM-UHFFFAOYSA-N 423.521 1.399 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286792262 SEFHBUCGSXCSEI-INIZCTEOSA-N 412.494 1.135 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1286817931 QPJHBQJZZBRELE-INIZCTEOSA-N 411.572 1.697 30 10 HDEE C#CCN(C(=O)CCN1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1291927701 BQAXANKRGONVDU-LJQANCHMSA-N 423.966 1.501 30 10 HDEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1292457555 HUGQYZQTPQGHEU-YWZLYKJASA-N 417.535 1.653 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 1293712527 GITIEZNCSLRGML-IBGZPJMESA-N 403.548 1.563 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)cn1 1298810526 DOYRIPPIJCGBQL-KRWDZBQOSA-N 409.491 1.335 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)C[C@@H](CO)C1 1299633508 BVCGQCMZUVRPFM-INMHGKMJSA-N 407.536 1.761 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1300489023 ZDFFKJWWQLNSMR-SFHVURJKSA-N 417.535 1.782 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1300584535 VAFLGKRONHKRJU-FMWKFLBASA-N 419.529 1.747 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC=CCO1 1300673647 SXLBHGCVLIZQLD-LJQANCHMSA-N 406.490 1.948 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300764574 XYMVEPAKBFCNDI-ROUUACIJSA-N 416.551 1.559 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300946146 KSEJZADJKBWASG-CYBMUJFWSA-N 422.511 1.100 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1300960741 JFWHRQRIKSYEBP-UHFFFAOYSA-N 406.494 1.570 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1 1301478874 QNLIYGVLVZFHHQ-LSDHHAIUSA-N 420.539 1.388 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301506491 LZXSRKIMQFWWRH-GOSISDBHSA-N 423.521 1.157 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1301968400 LTMWQNIHWLXPGA-ZWKOTPCHSA-N 403.575 1.794 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1305083374 OIZJHLWNYUPABX-ORQRPPJRSA-N 408.466 1.496 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1315978181 CDXBJFLEJAVDQO-WIYYLYMNSA-N 415.494 1.682 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C1CC1 1316189122 MIMQHHFDDCBRTO-FOIQADDNSA-N 404.515 1.658 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)CC1 1316535003 AVVBZGZHYRYKPH-UHFFFAOYSA-N 414.535 1.919 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1320349581 AEZQEVGLIUBGGK-WBVHZDCISA-N 424.519 1.032 30 10 HDEE CCN1CCOC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1355382086 FAYMXXRRUWKASH-QTTZHIOCSA-N 422.551 1.939 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2nc(C)c3cccnc32)c1 1355984564 VLMRSPAIQNLLBM-UHFFFAOYSA-N 417.469 1.613 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1358901038 YLGGGPIKIUTOPW-QZWWFDLISA-N 410.540 1.427 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1358935527 LQPXLHWYTMQKSD-UHFFFAOYSA-N 409.498 1.231 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1358954698 RRHMADTWNINASH-RTBURBONSA-N 416.570 1.430 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1358976455 FJGZSLTWKOBYAN-QFIPXVFZSA-N 415.457 1.145 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1359006848 LHHFXZVFXIANKX-UHFFFAOYSA-N 417.539 1.224 30 10 HDEE C#CCN(CC)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359012321 HXOHIDQHCXOIRR-UHFFFAOYSA-N 422.533 1.734 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H]2COCCO2)CC1 1359030722 CUNHLFUEDPCXGT-SFHVURJKSA-N 401.898 1.769 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cnnn2C)CC1 1359043469 VBRVWAVPMLZVNS-UHFFFAOYSA-N 422.468 1.227 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(C)C)CC1 1359045089 WRLYRHRUKYRCMI-KRWDZBQOSA-N 414.554 1.877 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)OC)CC1 1359048591 WFOHCISHNFDZJH-SZMVWBNQSA-N 419.526 1.003 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359121445 PNBVAFHWEZKIJE-HUUCEWRRSA-N 400.487 1.628 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1359121710 FJZYOIMTWUUJLI-UONOGXRCSA-N 424.527 1.873 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1359158257 LCKJPJISEOWLLF-UHFFFAOYSA-N 407.482 1.597 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1359240879 ZDBJXJURHXMRTC-ZDUSSCGKSA-N 411.915 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(C)=O)C1 1359322924 DZGZPNHYBVCQQH-KRWDZBQOSA-N 404.540 1.941 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)c1 1440878140 OSDLDUVCULWQDQ-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2c(C)cc(C)c(Br)c2C)CC1 1449063060 PIKQMPBQAGHQQP-UHFFFAOYSA-N 420.351 1.810 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OC)c1 1450210399 GOHDLWAMRXFWCQ-GOSISDBHSA-N 400.456 1.393 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)Cn2cnc(C#N)n2)C1 1456135681 FGSHNHKCGPZQIN-NBEIKUQISA-N 410.478 1.891 30 10 HDEE N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)n[nH]2)c1 1458050124 STSQHWCGMRNCOA-IAGOWNOFSA-N 406.446 1.723 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(c2ccc(C(=O)OC)nc2C#N)CC1 1458112702 ZSSAHQRHGXDTDN-UHFFFAOYSA-N 401.511 1.804 30 10 HDEE CCc1nnc(N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c(C#N)c1CC 1458680471 JJCKUAHHOHFWRU-FWHMADFJSA-N 406.508 1.784 30 10 HDEE Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2n1 1463001037 YJAMALYBRBWXRL-BONVTDFDSA-N 413.381 1.067 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 1469406996 YLGSMBZDDPWXDV-QGZVFWFLSA-N 412.899 1.013 30 10 HDEE CC(C)(C)c1csc(CC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)NCC(=O)NCC#N)n1 1470096307 VWKFHTRRODJDNO-RAKKMVLPSA-N 419.551 1.690 30 10 HDEE C#CC1(O)CCN(C(=O)NCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)CC1 1470134068 MUHORPFNQDIBMV-UHFFFAOYSA-N 409.527 1.820 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1470352405 IIGNRSMGZLXQDY-QGZVFWFLSA-N 410.515 1.233 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1ccccc1F 1471897456 GIDLLWFMUQXUHS-CZUORRHYSA-N 405.451 1.084 30 10 HDEE C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850743 ROGRRMPKXYCYDP-MQIPJXDCSA-N 412.309 1.646 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619662 YVBXFXHYJKWUTJ-ORAYPTAESA-N 402.455 1.143 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504998604 JZNLASSUPFKPRH-HUUCEWRRSA-N 408.503 1.036 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1507564763 WEZQQXKMXPGCJD-ZWKOTPCHSA-N 405.568 1.658 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507571915 RDHAWWXXWJOTGM-SFHVURJKSA-N 414.554 1.617 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cc(F)ccc1N1CCOCC1 1507608863 TXYXZPPPIPIRJY-UHFFFAOYSA-N 409.469 1.772 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507631142 BNMLIMWLUWCZQZ-IXDOHACOSA-N 424.592 1.694 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(CS(C)(=O)=O)CC2)CC1 1507730271 QCCDHHVDOCJCRX-UHFFFAOYSA-N 407.584 1.447 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507754267 MLBBJRAVFSTHDP-LSDHHAIUSA-N 420.539 1.311 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CC(=O)N1CCOCC1 1507766455 PLQLSRABOFHNBJ-JOCHJYFZSA-N 409.490 1.805 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1507821350 ZGONPIUUQVLNPV-GJZGRUSLSA-N 401.533 1.048 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC1CC1 1507832302 YBQSTXDMIXOINL-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C)C1 1507960071 QCZFWJSNKVFFQN-MRXNPFEDSA-N 410.482 1.739 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1507988763 VOBNSBSYCMVYMP-IIBYNOLFSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](COC)C1 1508090544 JEMQAAXTPHLQDG-YJBOKZPZSA-N 413.478 1.566 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCOCC2)C1 1508125655 DSMGBRVCLXBPJQ-IPMKNSEASA-N 405.543 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1508141819 OVCBFPTXWNSROX-IKGGRYGDSA-N 421.567 1.847 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC=CCO1 1508417153 HWCKGHXFRFEVMR-YJBOKZPZSA-N 405.466 1.862 30 10 HDEE CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1508829106 CHSYZIMJJVBDEV-BRWVUGGUSA-N 418.542 1.698 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@@H]3C2)n1Cc1ccc(C#N)o1 1509659945 VEVLNZDIQOEQEY-ZIAGYGMSSA-N 400.395 1.043 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(OC)nc1 1513925661 WVCDMVJWZWISAC-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1519399493 UNVQXIKAYJAFNF-LJQANCHMSA-N 422.493 1.913 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCSC1 1519451934 ZFOAVGJNLAAZBN-TWMKSMIVSA-N 407.540 1.874 30 10 HDEE C[C@@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1523938110 WSDRDBVBOFVFKU-RRQGHBQHSA-N 406.446 1.700 30 10 HDEE Cc1cc(C(F)F)n2ncc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c2n1 1523979351 FUUKONIKJGFBQD-UHFFFAOYSA-N 402.365 1.659 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c(C3CC3)n2)C1=O 1534544286 YPDSZOLGRCOLBN-UHFFFAOYSA-N 407.224 1.637 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O)C1CCN(C)CC1 1536121628 BVZVETSKLJLWNP-ZHRRBRCNSA-N 402.539 1.679 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(C(=O)N4CCOCC4)cn3)CC2)o1 1536377114 HILZGTIRKHBQLF-UHFFFAOYSA-N 424.461 1.577 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1538760746 FKBBSLMHEUFWQA-SUMWQHHRSA-N 424.404 1.901 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1539066279 SPAUGDRJRRRQNJ-GOSISDBHSA-N 412.538 1.872 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc2C1 1539190299 HHLATTFFVWILLD-SFHVURJKSA-N 406.534 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1539232749 NRYYBSHBHCHUBK-UHFFFAOYSA-N 412.881 1.023 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1539341086 YVLZRRVWPWKNED-AWEZNQCLSA-N 400.449 1.760 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539512213 AQHCOYGOIDRRFP-IAGOWNOFSA-N 402.524 1.429 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539515195 ZSGQPIFVFIZNGY-HZPDHXFCSA-N 418.567 1.338 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1539649987 HRQALKLTHFDWQP-OAHLLOKOSA-N 421.571 1.800 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1539722440 NPEYBSVABRPFTA-UHFFFAOYSA-N 412.494 1.676 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@H](C)CC 1540074389 YGTCPYYWVCNEFB-PMPSAXMXSA-N 415.560 1.294 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1540154556 ZFKBGGXZXFCPLT-MRXNPFEDSA-N 415.519 1.806 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCCCN1CCN(c2ncccn2)CC1 1540699818 SLZQJWYJCTWXHX-UHFFFAOYSA-N 400.433 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540869797 XERITHQMOBRHNF-INIZCTEOSA-N 411.510 1.446 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540872641 VXDJFQJYJCUPAD-CALCHBBNSA-N 403.458 1.160 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2CCN2CCN(C)C(C)(C)C2)C1 1540896616 PKMRHLASTBUFMX-GOSISDBHSA-N 406.575 1.622 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540922291 JXAQBQCXQXCDMU-OAHLLOKOSA-N 415.585 1.521 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1541871202 ABZMRVYOKJXBQR-LPHOPBHVSA-N 407.522 1.860 30 10 HDEE C[C@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1544546210 XCBOFFZZJHOQHF-XMTFNYHQSA-N 418.542 1.746 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C1 1554355751 CDTMGNYKXDLEQL-NRFANRHFSA-N 406.494 1.216 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1555988864 RDZDALWBLRJSKG-KRWDZBQOSA-N 423.477 1.014 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)cc1 1557316902 QBERGOBEOJFTME-ZWKOTPCHSA-N 407.536 1.380 30 10 HDEE N#Cc1cn(CCNC(=O)c2c(Cl)cc(F)cc2Br)c(=O)nc1O 1557600096 IEGXEUHCMVGQPJ-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE O=C(C1=CCS(=O)(=O)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633768 JLLPWGNMCOLGDF-YUMQZZPRSA-N 413.286 1.971 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(c3nc(C)c(C(=O)OCC)s3)CC2)CC1 1560095024 WUASSSDVVRHALN-UHFFFAOYSA-N 418.563 1.585 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)N3CCN(CCC#N)CC3)cc2)CC1 1562452404 HXFLRACXASMXAU-UHFFFAOYSA-N 412.538 1.456 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 1587464538 MVNRNJRHLZLPRF-FZNQNYSPSA-N 421.519 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1587673816 SHZJAELTAVUDDG-GJZGRUSLSA-N 406.483 1.889 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CCS(C)(=O)=O 1587915768 QYORMJQQAMILGZ-HNNXBMFYSA-N 406.508 1.931 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588054576 OGDMVBQAGKLBIW-YHAMSUFESA-N 412.581 1.331 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1588837080 QEIMZYNURZFRFD-QGZVFWFLSA-N 409.542 1.096 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588865368 VTCQMGMNHPIYHR-UXHICEINSA-N 411.554 1.446 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1589404863 MUICCUYCRBZWJU-KGLIPLIRSA-N 410.316 1.892 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](SCC)C1 1595569703 NIBAJYJYLKQVSN-MRXNPFEDSA-N 420.583 1.815 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2conc2COC)C1 1595665376 STSLFTMERZVUNN-INIZCTEOSA-N 416.482 1.478 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 1595790195 IYYPGLMDLYDQMJ-MRXNPFEDSA-N 402.520 1.061 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)Cc2cccc(OCC#N)c2)c1 1595904494 UJOSGHQYNONGER-UHFFFAOYSA-N 403.460 1.695 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1611164087 AVRIUJXSGCUALQ-FAYQHZLMSA-N 409.305 1.949 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](CO)[C@H]3C)nnc12 1611231709 UIJSCIVIYODJOB-ZIAGYGMSSA-N 413.503 1.552 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1611308678 RVNBJHPFVTVBHY-RDJZCZTQSA-N 407.482 1.934 30 10 HDEE CN(C)C(=O)Cn1cc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1611463148 FAKRBMASKLHDMH-HNNXBMFYSA-N 406.487 1.887 30 10 HDEE COC(=O)C1=CN2[C@H](C#N)[C@H](c3ccccc3F)C(C(=O)OC)(C(=O)OC)[C@@H]2C=C1 1614988044 UDFOEALRXYBWIX-IKGGRYGDSA-N 414.389 1.445 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1 1616735122 QYPZHEBKCUTRTC-UHFFFAOYSA-N 421.498 1.610 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)C[C@H]1O 1618883843 GNLYFAUEAWZJAQ-SJLPKXTDSA-N 422.445 1.522 30 10 HDEE C=CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@@H](C)COC 1620413570 AYLBZIHNBOSBGK-XOBRGWDASA-N 404.467 1.016 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C 1625466630 AGGGFQAUNCKJRQ-UHFFFAOYSA-N 414.506 1.883 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1625825713 DSSKMHNGXIPPMF-IYBDPMFKSA-N 423.535 1.974 30 10 HDEE CN1C(=O)C[C@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1626121826 ZJMMYOWCTWAOOI-RDJZCZTQSA-N 412.446 1.266 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3cc(F)c(C#N)c(F)c3)CC2)c(C(N)=O)c1C 1627403647 DICSWYPFDIOJSP-UHFFFAOYSA-N 400.389 1.305 30 10 HDEE COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1632799270 ONFYKQWKYYDAAD-MGPUTAFESA-N 421.519 1.743 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)c1 1632952913 KHIDVPAOWDVKIU-IBGZPJMESA-N 402.447 1.951 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCC#C[C@@H]2CCCCO2)cc1 1633813403 LIDFDYCQWFNFSD-SFHVURJKSA-N 407.536 1.993 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(CN4CCOCC4)o3)C2=O)cc1 1634587856 BJVMAIUXZKBGPJ-LJQANCHMSA-N 408.458 1.514 30 10 HDEE C[C@]1(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)COC(=O)N1 1634965194 DINDQKLCCSJHSE-LJQANCHMSA-N 405.476 1.210 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1636573934 OGCOLOUEXUZGEI-QGZVFWFLSA-N 419.890 1.598 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H]2CN(C)NC2=O)nnc1-c1ccc(Cl)cc1 1637275616 MKQVAELEZOORBO-CYBMUJFWSA-N 406.899 1.338 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C(=O)OC 1638827889 YCARTNLPPAQNIU-ZDUSSCGKSA-N 419.286 1.729 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)c1C#N 1640791849 BMWBKDDCFARQNL-VBKZILBWSA-N 402.520 1.508 30 10 HDEE CNC(=O)c1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(OC)c1 1640883683 YTUKVGUOQAFKAO-UHFFFAOYSA-N 405.407 1.743 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)cnc2n(C)c1=O 1641564163 GXAPDDYUPRYHPY-UHFFFAOYSA-N 418.457 1.221 30 10 HDEE N#Cc1cccc(ONC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 1642625260 KXHVAVYZMIOEFM-QGZVFWFLSA-N 401.444 1.739 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC1 1643372221 BGUODXSILCCZKL-UHFFFAOYSA-N 411.483 1.740 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)C1 1644557916 GUMSHOATUVINNI-BTYIYWSLSA-N 405.495 1.488 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CCOCC2)c1 1645666051 GXLPSZQPLXEZJY-MOPGFXCFSA-N 406.442 1.651 30 10 HDEE CCC[C@@H](C)[C@H](CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1646595462 IXEIXHFEDDNTPR-WBVHZDCISA-N 415.494 1.842 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)c1C#N 1648036937 KNTZWRPYZAGHNB-HNNXBMFYSA-N 402.520 1.726 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1C1OCCO1 1648049268 KPGVWNBQMONFLK-MRXNPFEDSA-N 421.519 1.649 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1648460074 IGPJFSFWBDUEIQ-MGPUTAFESA-N 406.552 1.956 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](N4CCCC4)C[C@H]3C(C)C)CC2)o1 1648594220 LOEOQIXSZBVEEQ-QUCCMNQESA-N 414.554 1.698 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OC 1648794102 XVPRXJURYALLEB-KRWDZBQOSA-N 410.492 1.070 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 1653747302 FSXNXQASYNHYGM-QEJZJMRPSA-N 422.507 1.397 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3NC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 1654089069 HALJGVSWDQREBU-QZTJIDSGSA-N 417.425 1.768 30 10 HDEE N#CCC(=O)N1CCN(C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 1654490718 CBTKAKXQZWSVJA-NRFANRHFSA-N 400.479 1.208 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CC#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1654986537 HWYBAZNBEKCUAD-MSOLQXFVSA-N 405.520 1.971 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655669919 NRDUSBBUWXDTPI-APWZRJJASA-N 422.526 1.044 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OCC 1656679675 GKRUNIZTPIJYTG-CYBMUJFWSA-N 418.899 1.884 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 1658543669 OHBIIHHWIYQHRS-UHFFFAOYSA-N 409.512 1.951 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCC[C@@H]1C#N 1659735944 BHFNMIGPSSUDAJ-NVXWUHKLSA-N 408.499 1.283 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)cc1 1662041980 CQVXUAAUNRABME-OAHLLOKOSA-N 404.469 1.600 30 10 HDEE CC(C)(CNS(=O)(=O)c1cccc(Cl)c1C#N)[C@@H]1COCC12OCCO2 1669662382 DUMVWABTSRXUIY-HNNXBMFYSA-N 400.884 1.906 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2sc(C(=O)OC)cc2Br)C1 1671459409 QPIPXTHJDQWQOP-JTQLQIEISA-N 421.338 1.673 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 1673399976 BZEOHUSXQQTSPR-GOSISDBHSA-N 423.517 1.952 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1674888261 SKMMAXULSCYCDV-FQEVSTJZSA-N 412.534 1.721 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(-n2cccn2)c(F)c1 1681358758 PGAHVOLTNMVECY-FRIZHTMISA-N 417.466 1.652 30 10 HDEE COCCNC(=O)CN1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 1682718220 QFULWUIMJSZBOF-IBGZPJMESA-N 401.511 1.511 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(c2ccsc2C#N)CC1 1687115684 JAZPDPJUGFQWCG-UHFFFAOYSA-N 405.402 1.404 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1689863102 MWITUCRVCOCRDN-OAHLLOKOSA-N 418.461 1.340 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1689885741 UBWCEURFXVQERG-UHFFFAOYSA-N 418.505 1.840 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnnn1CC1CC1 1689949822 SUVYCTXMKRJOFX-UHFFFAOYSA-N 408.466 1.477 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988088 JAYPMVSMUSHPIS-QGZVFWFLSA-N 416.551 1.386 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1690115704 QAMAHYBVWACYJM-FQEVSTJZSA-N 422.577 1.983 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1690497003 DZKZKDKQZIOFOS-UHFFFAOYSA-N 420.514 1.385 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)[C@H](CC)C1 1690671370 UREFHANYSURMQA-MSOLQXFVSA-N 420.558 1.369 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1690672491 UBHRAFXJBTWLMO-UHFFFAOYSA-N 402.543 1.762 30 10 HDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1nccs1 1692693692 HXJMBWUCRYCHOF-QWHCGFSZSA-N 423.568 1.888 30 10 HDEE Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1693459024 ARKFGNITRZMRSA-FMQUCBEESA-N 424.461 1.521 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1696631114 GBRJLNWFYILJTC-QAPCUYQASA-N 410.544 1.541 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1=O 1698074423 CMHBTASYWYRJCL-SFHVURJKSA-N 424.505 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1705490957 URAMFSHFIXZDAK-LBPRGKRZSA-N 412.416 1.958 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CN(CC(C)C)CCO1 1705553991 GNMXEVWIPXAPIG-HXUWFJFHSA-N 421.549 1.943 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1705557814 YYANNMFSFOINCW-UHFFFAOYSA-N 411.506 1.792 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705561428 TYXDFTQQAFRRCQ-SQNIBIBYSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1 1705581245 WZLMWJLPJHOIPL-IBGZPJMESA-N 408.481 1.573 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705729255 QLHIZQRZXXMXEP-FVJLSDCUSA-N 421.542 1.782 30 10 HDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705730829 NRWDQTCJKNZMLN-QGZVFWFLSA-N 412.494 1.760 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705828457 OFCYAPIKSKMOLM-UHFFFAOYSA-N 424.509 1.946 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1705908919 JITGOAVDRMFGLY-JXXFODFXSA-N 405.499 1.206 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1706034244 BCNBFQIVDYZPLT-GOSISDBHSA-N 419.493 1.461 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1706750933 BZJOJNOVHWEJBN-INIZCTEOSA-N 403.531 1.250 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)C1 1710345948 HHYAKZHWBIEWCN-PBHICJAKSA-N 418.523 1.370 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(C)(=O)=O)cc1OC 1711732090 HAJSSNLKKMEPLK-CYBMUJFWSA-N 407.496 1.603 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1712647865 MABRZIDNRRHEEV-SAGLZJIZSA-N 405.499 1.282 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCn2cc(Br)cn2)CCO1 1712884056 FSLSJKJGHYWWIY-ZDUSSCGKSA-N 417.271 1.661 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC)C1 1722320827 LPFNHJCYKGZBAX-INIZCTEOSA-N 417.535 1.925 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(C)(C)O 1722357093 ZKRSIIXACNASOY-UHFFFAOYSA-N 410.566 1.873 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC[C@@H]1OC 1722386294 SOFYCWQZWTURDD-NQIIRXRSSA-N 424.501 1.990 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC1 1722446279 CNCLZTUHDVMISE-OAHLLOKOSA-N 408.462 1.716 30 10 HDEE C=CC[C@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1722596558 KRUMIESHYHCNSF-MSOLQXFVSA-N 408.506 1.347 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1722630662 NAXPWTRFMPVUJE-UHFFFAOYSA-N 406.512 1.319 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](CC)C1 1722693671 WTLRPLFHAZSJAM-OAHLLOKOSA-N 417.535 1.887 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccco2)C1 1722716557 ZTWIRETVJZUHQU-SXGZJXTBSA-N 401.467 1.511 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC)C1 1722720935 PLQPPIUUTYEQTH-AWEZNQCLSA-N 418.523 1.187 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cnnn1 1722872967 XYEIZIULESQSCG-BZUAXINKSA-N 401.519 1.869 30 10 HDEE Cc1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726405920 JHHQMHRPOLKTIZ-FZFLATATSA-N 413.526 1.424 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1)N(C)C 1726673337 XUHBEYGTKXQAOG-LVCYWYKZSA-N 423.565 1.924 30 10 HDEE CCOCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729137762 XIOGUWWEFFBBQY-UHFFFAOYSA-N 419.493 1.755 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740570202 CGSCIWVZFQGORS-UHFFFAOYSA-N 410.526 1.820 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1740614453 RMWRHZSDWBMMFH-UHFFFAOYSA-N 418.519 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCN(CC)CC1 1740652573 FMRWWWVDWCJPQJ-UHFFFAOYSA-N 406.538 1.226 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1740673842 JGVZJWDARYJRNL-GOSISDBHSA-N 405.549 1.597 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CC1 1740726345 YHTIPTABSPAGEY-JTAARSKYSA-N 406.552 1.833 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1740950888 LQYASAVBYFYWQY-IRXDYDNUSA-N 418.542 1.362 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)[C@H](C)C1 1741044686 NIMLYUCDLLZSEL-ZHRRBRCNSA-N 424.505 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1748646657 BMXZQNNYBUWARQ-XIKOKIGWSA-N 419.327 1.982 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748817648 NOEGEFNWMSZFTK-RBUKOAKNSA-N 421.611 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749019157 NAVHKRGSQSHBSZ-NZSAHSFTSA-N 415.538 1.647 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1749232324 JZKAMSNLUDJODX-QGZVFWFLSA-N 423.521 1.776 30 10 HDEE COCC1(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CCC1 1749399328 DTKYCQOSSKQKAP-JKSUJKDBSA-N 409.556 1.983 30 10 HDEE C=CCCOCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1749460741 GKBJSTJKUCIAOI-KRWDZBQOSA-N 418.586 1.957 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccccc1)C1CC1 1749650135 LCPGHGDBSZSKCO-UHFFFAOYSA-N 408.506 1.985 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCc2cnn(C)n2)CCOC1 1751006376 GMHDQJKLTNANEN-OXJNMPFZSA-N 416.530 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1760116036 DNAHSBHBBMBGRY-VHSXEESVSA-N 411.272 1.626 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760117921 VUYAVYCCQDZRTL-DOTOQJQBSA-N 417.535 1.870 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760136670 AZGZCWUYDJJCIM-KRWDZBQOSA-N 411.510 1.562 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760143963 YRJIPUNZVBSPHQ-QGZVFWFLSA-N 400.527 1.813 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1760185341 VUIFDGAWIWVZGI-MRXNPFEDSA-N 403.508 1.393 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760248372 KADIEIDHVOQKPR-OPOADAIRSA-N 401.511 1.256 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760257743 HJIBSQUNCJQWET-LJQANCHMSA-N 409.538 1.297 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760260009 UIBVRBIHGLAVPB-INIZCTEOSA-N 412.469 1.315 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C)no2)CC1 1760262092 ZICRXRWVGCRBBY-UHFFFAOYSA-N 406.490 2.000 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1760294731 FKDVJRXSBIEQAC-VQIMIIECSA-N 406.552 1.989 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1760321160 CDNSUALSLFTIIY-FUHWJXTLSA-N 411.572 1.539 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1760365546 BIOIWBUDLNOHLF-LLVKDONJSA-N 412.903 1.304 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760373930 FJMWQKIKIDENQY-CQSZACIVSA-N 417.901 1.355 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760521253 NOIDIABCSXQEQT-UHFFFAOYSA-N 403.508 1.498 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccnc2C)C1 1760549852 NWPYGOYXKRQQMK-QGZVFWFLSA-N 411.510 1.523 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1760553212 OHNUZFSOMUUGQH-CQSZACIVSA-N 416.507 1.118 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@]2(CCOC2)C1 1760554082 QTMNNKWLCTVNHV-HXUWFJFHSA-N 417.535 1.866 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1761360183 HPKGETLPFPSSTK-BBRMVZONSA-N 405.466 1.801 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1763200975 DENMJOABTMYRIU-MOPGFXCFSA-N 407.522 1.872 30 10 HDEE CCC[C@@](C)(O)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765467982 BWLGVYNMMVCANT-OAQYLSRUSA-N 413.526 1.959 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1767624826 RJTOMAPMXLAHMM-NRFANRHFSA-N 405.462 1.739 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1769148591 LBCOXFNDTPOHMU-INIZCTEOSA-N 424.505 1.894 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1769224086 DHNDJLVDRDWMNP-UHFFFAOYSA-N 419.493 1.448 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1770727181 CTZJWTODLJRPBF-KSSFIOAISA-N 404.471 1.607 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)C1 1771529069 IBUGRALLKNSFPT-FUHIMQAGSA-N 406.506 1.808 30 10 HDEE COc1ccc(N2C[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)c(OC)c1 1772792319 KNSNHHTUYFTUSJ-GFCCVEGCSA-N 410.382 1.811 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)n2)cc1 1848619586 AKFUFWCMYCJFNU-UHFFFAOYSA-N 407.478 1.585 30 10 HDEE CCN(CC)CC#CCNC(=O)CCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1850098363 DBSVGJMQSJVBGB-GOSISDBHSA-N 408.568 1.254 30 10 HDEE Cn1nc(OCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c2ccccc21 1850411398 KQSBFYOSPKLWTQ-UHFFFAOYSA-N 409.490 1.953 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1CC)[C@H]1CCN(C)C1=O 1850864027 YXDADXRDPRXTAE-INIZCTEOSA-N 411.462 1.460 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(c3nnnn3-c3ccccc3)CC2)cc1 1851223678 JPAZAEKELOSBDU-UHFFFAOYSA-N 417.477 1.478 30 10 HDEE COc1ccc(S(=O)(=O)C2CN(C(=O)c3cnc4c(c3)c(C#N)cn4C)C2)cc1 1851604315 ZYYZAIILWUQEJU-UHFFFAOYSA-N 410.455 1.752 30 10 HDEE CN1CCN(c2nc(NC(=O)Cc3ccc4c(c3)OCCO4)c(C#N)cc2C#N)CC1 1851833136 SFMNXVNSLBOSSO-UHFFFAOYSA-N 418.457 1.529 30 10 HDEE N#CCc1ccc(C(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc1 1852461563 JLRZDCGSYYXBSY-HKUYNNGSSA-N 404.426 1.316 30 10 HDEE C=CCNCc1c(Cl)n[nH]c1C(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 1853512080 XSCQEPWUUCJJMV-UHFFFAOYSA-N 415.881 1.392 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1853629453 PQQRIWSPVXGPRQ-YJBOKZPZSA-N 405.445 1.601 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@H](Cc3nc(-c4ccncc4)no3)C2)CCC1=O 1855615701 KBKSCECUGGZIIC-CVEARBPZSA-N 408.462 1.675 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C)nc2C(F)F)CCN1CCOc1ccc(C#N)cc1 1855956000 JTBJJRFBUUQPSQ-CYBMUJFWSA-N 417.416 1.981 30 10 HDEE Cc1cccc(O[C@H](C)C(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1855976964 QDHBOLLNWIXCHO-OAHLLOKOSA-N 413.455 1.996 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3ccncc3F)C2=O)CC1 1855984668 GTODCUVWYZPLNG-GOSISDBHSA-N 408.437 1.441 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C(=O)[C@H]1C 1856262140 HMXZVRAYCIWOOS-DLBZAZTESA-N 407.474 1.657 30 10 HDEE CN1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)[C@H](C2CCOCC2)C1 1856359401 VYDNZDPHHQCYCX-NQIIRXRSSA-N 410.518 1.590 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C)c(C)c3)C2)CC1=O 1856791940 LNNHLNDQXRWQER-JKSUJKDBSA-N 408.476 1.186 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CSCc3ccc(OC)cc3)OCC2=O)CC1=O 1857047331 ZBZAXFQZCUPZFI-WMZOPIPTSA-N 418.515 1.717 30 10 HDEE COc1cccc(CC(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1857120589 YQRXCDWUHUOXTO-LJQANCHMSA-N 406.442 1.395 30 10 HDEE CN1CCN(c2ccc(NC(=O)CNS(=O)(=O)c3ccccc3C#N)cc2)CC1 1858075925 KAHMUYYSJCEVHF-UHFFFAOYSA-N 413.503 1.227 30 10 HDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCCC[C@H]2CCO)CC1 1868782123 DHVUVKMMJPEQTJ-ROUUACIJSA-N 418.563 1.904 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccccc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002505 NJVZYFNWWJUYAM-KRWDZBQOSA-N 415.519 1.997 30 10 HDEE C=CCSc1nnc(CNC(C)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874434203 SRFKRWKTIDUOFB-DJKKODMXSA-N 418.435 1.754 30 10 HDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCNC(C)=O)ncnc21 1875231071 YMKOFVIPLBZVPR-UHFFFAOYSA-N 413.526 1.332 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)Cc4ccc(C#N)cc4)C3)n2)n1 1889752528 VFWXUODQURHFQA-UHFFFAOYSA-N 402.458 1.619 30 10 HDEE CN(C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)[C@H]1COC[C@@H]1O 1889976952 YHSNSEHWOQADLD-GJZGRUSLSA-N 402.476 1.709 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1890102726 JNXHLLCKZUKKLH-KRWDZBQOSA-N 406.490 1.903 30 10 HDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1ccc(N)c(C#N)[nH]1 1959372290 TYIIOPVCSUZASO-UHFFFAOYSA-N 406.487 1.787 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2029310919 GXAYLMHSVGLOKE-CQSZACIVSA-N 407.492 1.955 30 10 HDEE N#Cc1cc(Br)cnc1N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2118195135 SBFRUGPKANIDDI-WCBMZHEXSA-N 420.189 1.074 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174789081 MJQLBWJWGNBSNG-CQSZACIVSA-N 405.492 1.431 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCNC(=O)OC(C)(C)C)n1 2247839132 SLBCACJNWFJRNB-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247919562 XAADVJJDTIGMJO-STQMWFEESA-N 418.303 1.543 30 10 HDEE Cn1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2247919809 XXWPKJCSXJVEPG-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2248404671 OAMFBUGJANZQHW-AWEZNQCLSA-N 423.319 1.545 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2249998179 FIJZVFJHZFFQPZ-UHFFFAOYSA-N 422.331 1.890 30 10 HDEE C[C@@H](O)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267358100 ZQQKFDIJZOYBGR-SECBINFHSA-N 407.750 1.702 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COCC[C@@H]3N)cc2Cl)OC1(C)C 2282304402 KEOSQESIVFZIEV-QWRGUYRKSA-N 422.765 1.095 30 10 HDEE CC[C@H]1CNCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336343 BQJBTKRYAXWYOY-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE CC1(C)CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N1 2282418370 IDUPHDFNADHPNR-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE CC(C)(CC(N)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500445 YHMSRWZEIGRWBW-UHFFFAOYSA-N 402.347 1.121 30 10 HDEE CCN[C@@H](C)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282505744 IKCONGREFQMGSP-NSHDSACASA-N 402.391 1.940 30 10 HDEE C[C@@H]1C[C@@H]1N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509701 NVWZLGGDJXVRBF-OCCSQVGLSA-N 401.359 1.580 30 10 HDEE CC1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCNCC1 2282509863 QKPFJHYFVXAMOD-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNCC[C@@H]1C 2282835969 ZYNKIVBOEYKYSC-WCQYABFASA-N 400.375 1.632 30 10 HDEE CC1(C)CC[C@@H](CO)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857650 KXVPGMDYABNADP-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)[C@@H](O)CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858975 GHWVHQICRUKVIF-RYUDHWBXSA-N 401.359 1.875 30 10 HDEE CCOc1cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc([N+](=O)[O-])c1O 2323437740 SVEXMWKZICOPHW-UHFFFAOYSA-N 422.375 1.858 30 10 HDEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1C#CCN 2339765577 YRMMJBMCVQTGJK-UHFFFAOYSA-N 413.455 1.043 30 10 HDEE COC1(C#C[C@H](N)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCCCC1 2363724912 IULIIWWHMSRJQK-JKSUJKDBSA-N 402.557 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365196924 RFAPDIGHSWOEAC-CAOSSQGBSA-N 401.525 1.588 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 2365205846 VZBHBTYLVYQHGU-JKSUJKDBSA-N 401.573 1.342 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H](C)CNC(=O)OC(C)(C)C 2367826431 YKEBYKCKHMULTB-BZUAXINKSA-N 402.557 1.457 30 10 HDEE CC1(C)OB(c2csc(CN3CCC[C@@H](CS(C)(=O)=O)C3)n2)OC1(C)C 2368848925 HBQAVOASIQZXCA-CYBMUJFWSA-N 400.375 1.699 30 10 HDEE CCn1c(=O)c(C(=O)CNc2cccc(C#N)c2)c(N)n(Cc2ccccc2)c1=O 6250058 SDFDSAIFMZOPQZ-UHFFFAOYSA-N 403.442 1.827 30 10 HDEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c1O 20527523 FSOIZDCVBKWILU-SSDVNMTOSA-N 424.490 1.998 30 10 HDEE CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 55236888 KOOZXBTUBGKFKN-UHFFFAOYSA-N 412.943 1.776 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1 57003391 TVMXTNUVJQGRHK-UHFFFAOYSA-N 417.531 1.847 30 10 HDEE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)cc(OC)c1OC 59830903 LVFWNXOGYQDLSD-SVXRXWARSA-N 408.484 1.845 30 10 HDEE C=C(C)COc1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)c1 66229029 NTSBWWIQIDBDIE-IBGZPJMESA-N 417.506 1.970 30 10 HDEE COc1cc(C(=O)NCC#CCOc2ccccc2C(N)=O)c([N+](=O)[O-])cc1OC 90743828 BQVOJANCKBHZSE-UHFFFAOYSA-N 413.386 1.523 30 10 HDEE C[C@]12C=C/C(=N\O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(/C(CO)=N/O)[C@@]3(C)C[C@H](O)[C@@]12F 96031599 WBEGTADQIPIHBM-IKQGFDHRSA-N 424.469 1.143 30 10 HDEE in-vitro CNC(=O)c1ccccc1C#CCNC(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCC3 96348535 NIAXWXVEVYDOIS-HNNXBMFYSA-N 422.510 1.296 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(O)cc1 101442846 DOTOBEJFZPXAGC-CABCVRRESA-N 423.429 1.043 30 10 HDEE O=C1C(=O)N(CCO)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103111244 TWDUYHNZZWIGQQ-CFBLSMTOSA-N 413.342 1.917 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@@H]1CCS(=O)(=O)C1 111046149 KQEYRNVFGXPLTB-QGZVFWFLSA-N 417.531 1.420 30 10 HDEE C=CCn1nc(C)c(CCC(=O)NCC2(CN3CCOCC3)CCOCC2)c1C 223621054 WIOHQLFFHZNTNS-UHFFFAOYSA-N 404.555 1.864 30 10 HDEE COC(=O)CC1(N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS(=O)(=O)CC1 447884286 WVFJIJMWLJOLAW-KRWDZBQOSA-N 419.503 1.154 30 10 HDEE COc1cc(OC)c(Cn2nccc2NC(=O)[C@@H](C)n2cnc(C#N)n2)c(OC)c1 464097149 SXINZISGBRVTRP-GFCCVEGCSA-N 411.422 1.620 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C 465291881 ZFPXMFCIHQFVRK-PKOBYXMFSA-N 407.522 1.741 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 468613678 UHHLTKJRYWPZOR-INIZCTEOSA-N 421.519 1.991 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)cc1 479154769 KHSVLMAVIJYYLK-UHFFFAOYSA-N 403.460 1.202 30 10 HDEE CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@H]1c1nc(C2CC2)no1 502054655 DBUQPYNOJIJITJ-KRWDZBQOSA-N 406.446 1.223 30 10 HDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCN(CC(=O)OC)CC1 508741635 YTRRHVQGKRAASA-UHFFFAOYSA-N 401.467 1.347 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ncccc2C#N)CC1 510999503 FSVBHUMTFMQNSV-CYBMUJFWSA-N 405.505 1.030 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2COc3ccc(Br)cc32)CC1 533924119 VIDDXCCWFLLJSH-OAHLLOKOSA-N 408.296 1.372 30 10 HDEE C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 541702470 NOLIKLHAHGOCMZ-WIYYLYMNSA-N 401.486 1.264 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CC2)c1=O 542725585 ZMTLEVRNCOFETR-UHFFFAOYSA-N 410.455 1.243 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 546176486 KJJRQIAOUSRSRZ-UHFFFAOYSA-N 405.505 1.162 30 10 HDEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549254183 UERSDNFSIXIDEV-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 553156836 ZZBHKCANXJNNFB-QMTHXVAHSA-N 415.434 1.187 30 10 HDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCc1ccc(C#N)cc1F 586859066 QXRRDHVVHAPGQN-LBPRGKRZSA-N 418.450 1.181 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670211186 YKVLZFPCWXUBES-OAHLLOKOSA-N 424.461 1.723 30 10 HDEE CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1I 694963827 UTUIQMKLIIPKTL-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](NS(=O)(=O)c2ccc(C#N)s2)(C(=O)O)C1 711677612 DFJNXXSQSNASTR-MRXNPFEDSA-N 415.493 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNCc2nc(C#N)cs2)C1 721746687 SHRHTROZVBQDRI-CYBMUJFWSA-N 400.526 1.529 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664561 QXDSBHYHCQKTOQ-FUHWJXTLSA-N 422.576 1.285 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C#N)cc1 740191879 CGLBRNANCDQMDR-QGZVFWFLSA-N 414.395 1.160 30 10 HDEE CC(C)(C)OC(=O)c1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 745813378 KTECKZBANLMJGU-ISLYRVAYSA-N 414.462 1.968 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 748779663 ZOTFAMWNDOOHKG-INIZCTEOSA-N 419.547 1.611 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 750302360 LMDKBUIHQRYODP-STQMWFEESA-N 419.434 1.935 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCCOc1ccc(C#N)cc1 755182758 CCRGIKLBXHUSAQ-QGZVFWFLSA-N 417.462 1.996 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757898185 NFNMHCZQBNMXTE-AWEZNQCLSA-N 408.480 1.180 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)c1 758458611 VZNDWRQISOWVJL-UHFFFAOYSA-N 423.494 1.810 30 10 HDEE COc1cc(C=NNCC(N)=O)ccc1OCC(=O)Nc1ccc(F)c(Cl)c1 758904612 QQMPKEHRGSXJNZ-UHFFFAOYSA-N 408.817 1.914 30 10 HDEE CC[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCN1CC(F)F 765714642 GFLWAFJYGRBNFW-OXJNMPFZSA-N 405.449 1.944 30 10 HDEE C#CCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@@H]1CCS(=O)(=O)C1 767689209 GEHWHWLCHWOHIQ-GFCCVEGCSA-N 423.288 1.553 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@H]3CCCO3)c2=O)cn1 772277454 IYHSLHNKFHTRDS-GDBMZVCRSA-N 412.515 1.504 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CCCO1 773792554 DUDFEJDECYSWMD-UONOGXRCSA-N 409.236 1.471 30 10 HDEE C#CCN(C(=O)NCc1cc2c(cc1OC(F)F)OCO2)[C@@H]1CCS(=O)(=O)C1 774254644 YBHOXSDPBUUJMY-GFCCVEGCSA-N 416.402 1.349 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1 776824573 OGNAIOVWPAWACT-UHFFFAOYSA-N 400.526 1.068 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)Nc1cnn(CC#N)c1 778560398 FSKNJHIQNMVQBN-UHFFFAOYSA-N 415.269 1.995 30 10 HDEE COc1c(F)cc(CC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1S(N)(=O)=O 781034151 HUOHFJLGFFGCMF-NSHDSACASA-N 407.423 1.954 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 785119666 RRLVRZAALMHSQO-AWEZNQCLSA-N 402.451 1.012 30 10 HDEE COCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802416713 DSDQMTMLWJIFAR-UHFFFAOYSA-N 404.478 1.504 30 10 HDEE CC(C)COC(=O)N1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804158786 AYCABXIJRVRSJW-UHFFFAOYSA-N 404.442 1.640 30 10 HDEE CC(=O)Nc1ncc(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)s1 805950924 YMSRRUMSRQVLOE-OAHLLOKOSA-N 422.488 1.882 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1)c1ccc(Cl)cc1 810470513 GVTVOYXTPVBPIJ-INIZCTEOSA-N 405.863 1.677 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 916012518 GEAHZIRFKWOTRJ-HUUCEWRRSA-N 423.564 1.227 30 10 HDEE CC(C)[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1Cc2ccccc2C1=O 1124723963 FZYDRXQAXWSJQI-QGZVFWFLSA-N 408.462 1.737 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c(C)s1 1125518442 FUIRXEVBHWDQHJ-UHFFFAOYSA-N 411.549 1.908 30 10 HDEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 1129714796 LDUCQZFXFWJHKM-UHFFFAOYSA-N 400.504 1.427 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1137094258 KTPFWLVTKMEHPZ-ZDUSSCGKSA-N 406.435 1.749 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)[nH]1 1146464475 IKTUBZCLOKOWFI-DGCLKSJQSA-N 414.384 1.880 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCC#C[Si](C)(C)C)C1 1146802808 HGSDFRFMZVMKBN-INIZCTEOSA-N 410.616 1.814 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F 1150871688 QAMCZYBAONOXPN-RDBSUJKOSA-N 413.400 1.369 30 10 HDEE Cc1oc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1S(=O)(=O)N(C)C 1151411842 LMSFWCQTIXWNIE-IBGZPJMESA-N 402.476 1.931 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2c(C)nn(C)c2C)ccc1F 1159427032 QFBAPKLZMFLGNN-HNNXBMFYSA-N 410.471 1.104 30 10 HDEE C[C@@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1163878549 MZPDHEOBFNUDJP-QHSBEEBCSA-N 403.483 1.544 30 10 HDEE CCN(C(=O)CN1CC[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1174771696 SVOVKKKECITJAK-OAQYLSRUSA-N 410.478 1.168 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NCc1ccc(C#N)cc1 1176861429 YAOOEVCPWQRBRD-SFHVURJKSA-N 402.495 1.742 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCCO1 1226734218 FZRPPBUKZZFKRG-HRCADAONSA-N 421.494 1.219 30 10 HDEE C#CC1(F)CN(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)C1 1231274889 LNBIKDQLTDQHII-UHFFFAOYSA-N 424.517 1.991 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 1251504492 GHGCHXOGJAVVFS-PBHICJAKSA-N 422.457 1.620 30 10 HDEE Cn1nc2c(c1C(=O)N[C@H](C#N)c1cccc(Br)c1)CS(=O)(=O)CC2 1266809042 JLFRNCNIMRWGPR-CQSZACIVSA-N 423.292 1.648 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1286277694 GLCNCUCTQSXERB-GJZGRUSLSA-N 424.571 1.185 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1286287994 FFEXSIBEWHDAMP-OWCLPIDISA-N 422.489 1.190 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1286369867 XFMYUPYDNFRYIH-UHFFFAOYSA-N 406.446 1.483 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1286380593 HCERCUZFXUYHNK-INIZCTEOSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(CCOC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286390115 XINIGZNMSPLLKL-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1286396505 VSPUFJHYMGWYJG-SFHVURJKSA-N 405.568 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1286431000 LSIAVWLJXLBNPU-QGZVFWFLSA-N 407.540 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(C)CC1 1286464897 GVAGJSLXEAVOHK-SFHVURJKSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286474779 LLVQIYDCVDJIQB-KRWDZBQOSA-N 417.535 1.427 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)OCC)CC1 1286478711 FGYMSTZAUOQWPI-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1286550010 YTIXZDJDDDJOAW-QEOTZNIISA-N 423.583 1.962 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599663 YVTAWDFLPZGJRD-FVJLSDCUSA-N 403.527 1.952 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1286785026 CHHWGFLGNDSASZ-OAHLLOKOSA-N 408.462 1.852 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286828626 PHLNZLGNXIYDRV-CQSZACIVSA-N 423.568 1.172 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1293352265 WDEHPRZACHYFSE-HNNXBMFYSA-N 404.517 1.554 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)OC 1297287407 CWCIMHUBGRHTRK-LSDHHAIUSA-N 400.487 1.226 30 10 HDEE C[C@H](CC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)/N=C1/NS(=O)(=O)c2ccccc21 1298181121 BZUKINBJQJHXOR-DYVFJYSZSA-N 415.519 1.847 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCN(C(N)=O)C3)C2)C1 1298837880 PGDBPLGLMLANAN-SDMXJPDVSA-N 419.526 1.680 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300401725 XUZWLZHZNAMSAR-NRFANRHFSA-N 409.494 1.512 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300444295 YXBIKBVOCTTYEZ-QGZVFWFLSA-N 401.536 1.858 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300483457 JYWYFPKIKSJDFG-ZDUSSCGKSA-N 424.477 1.804 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300991498 NJLLOLKQYOOGQV-UHFFFAOYSA-N 403.527 1.823 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301042370 UIFNMVHCQGWVOK-OAHLLOKOSA-N 422.917 1.199 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CC(=O)OC)cc2)s1 1301465037 KTSTXUFTRQTSQT-UHFFFAOYSA-N 422.528 1.787 30 10 HDEE C=CCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@]1(OCC)CCOC1 1301473704 IQSXJMNNYLMKIM-NRFANRHFSA-N 412.494 1.474 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1303065978 QPRIPMCVWSOQHU-OXQOHEQNSA-N 404.515 1.801 30 10 HDEE CC1=CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1304587823 FKFKTHXFZSQWCO-HTXNQAPBSA-N 408.466 1.361 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)on1 1304897868 DMCHARYETNVNGV-UHFFFAOYSA-N 407.478 1.930 30 10 HDEE C#CCOCCN(C)C(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1306012950 BTDNNTAVKNSFPN-HNNXBMFYSA-N 414.549 1.396 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN(C(C)=O)C1 1306199144 ZIVRVEHQVMPXBY-SFHVURJKSA-N 422.537 1.692 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cncc(Br)c2)c1=O 1307378211 AOYMIBSYKBGFRE-UHFFFAOYSA-N 421.251 1.429 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)N=S3(=O)CCCC3)CC2)c(Cl)c1 1309448043 AMOUMCSXYCPDGE-UHFFFAOYSA-N 402.929 1.840 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1309604529 GOCONAHHWJXKHK-UWWQBHOKSA-N 421.519 1.748 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 1311892420 TZFZACFZBHYFMU-UHFFFAOYSA-N 424.343 1.914 30 10 HDEE C#CCN(C(=O)NCCn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1312249560 DWUZNNRZDQNKHV-UHFFFAOYSA-N 420.470 1.836 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 1312280566 FWIRCLMRGMQPFU-SJLPKXTDSA-N 403.552 1.829 30 10 HDEE Cn1ccnc1[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1312626112 LOYDSOFMAOCIJQ-GJZGRUSLSA-N 420.395 1.995 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C2 1313190817 NVFLWSRWEWKEIQ-YADHBBJMSA-N 418.497 1.795 30 10 HDEE CCOC1CC(O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1 1314262680 GDSJDZLTODQBJI-IDYZSHNDSA-N 415.469 1.667 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1314470306 NWUOHWPOZRUFPU-GOSISDBHSA-N 401.467 1.617 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1320673027 IQERBDRTBWSCIC-QGZVFWFLSA-N 408.439 1.429 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cnn(C)c2)c1 1358903788 JTXAXCQVYRCGSS-LJQANCHMSA-N 419.489 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@@](C)=O)cc1 1358975933 JTDCTNGEXSXGSB-GDLZYMKVSA-N 406.515 1.678 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1359033919 WBTRVPZMMHZSAO-HXUWFJFHSA-N 401.511 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)C(C)C)CC1 1359040914 JEDUPOKVJSMYFN-UHFFFAOYSA-N 402.543 1.314 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1359053592 RTCYUPZIKIUPCE-AWEZNQCLSA-N 400.483 1.664 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccn2)CC1 1359059207 FKFGLMFYXWABJH-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359197706 XSRIOKUTTBWBOD-OAHLLOKOSA-N 418.523 1.905 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359230042 COFWNMVCLNVAQO-DWRORGKVSA-N 419.526 1.310 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCn2ccnc2C1 1359278181 KQWCOLLFSQIRHO-INIZCTEOSA-N 401.515 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359297033 CCBQBFBVWPYBAD-IERDGZPVSA-N 414.510 1.360 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1359515572 AAODTHFCXZEWNC-WOJBJXKFSA-N 424.549 1.919 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)c(F)c1 1434991284 YWHSOSYXAYLCLB-UHFFFAOYSA-N 406.483 1.304 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1435362651 PUZWDYZBOZKRDL-LSDHHAIUSA-N 418.498 1.537 30 10 HDEE C#CCOCCNC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1435662224 FDWXOZVCKNZGJH-LBPRGKRZSA-N 413.425 1.777 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 1443361750 YUWOPBIRFHQICU-UHFFFAOYSA-N 419.938 1.544 30 10 HDEE CCN(CC)CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1448589585 OAFYOIOFVVTRLY-CVEARBPZSA-N 406.914 1.774 30 10 HDEE C[C@]1(C(F)F)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1453804557 HSLWSAAALBIPGM-AUUYWEPGSA-N 406.389 1.646 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)C1(C#N)CCOCC1)C2 1455790263 DOKYESSRNHLWRM-LRAJWGHMSA-N 421.494 1.612 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1457026255 LOOSULLLAFJKFH-MPRMRHCWSA-N 418.494 1.807 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](C)SCc2nc(O)c3ccccc3n2)CC1 1459466522 NYNXBJXKGVTNRX-CQSZACIVSA-N 412.515 1.945 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@@](C#N)(c2ccccn2)C1 1460607325 QVJHCTGDHHGRDV-FQEVSTJZSA-N 401.536 1.997 30 10 HDEE Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1460645747 VPQNIJSKACDNPT-HOCLYGCPSA-N 408.524 1.290 30 10 HDEE NC(=O)c1ccc(SCC(=O)N2CCC3(CC2)CC(=O)C=CO3)c([N+](=O)[O-])c1 1463085970 IEEWZMPCPMPSFN-UHFFFAOYSA-N 405.432 1.650 30 10 HDEE C[C@@H](C[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1470621372 RTUXUDNPOXUUIT-WZTLGTBRSA-N 414.528 1.258 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1470815610 YBJMAIIICJKRMS-SFHVURJKSA-N 420.477 1.433 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1cccnc1 1471082189 JEYZYDKFHKAMMZ-ULQDDVLXSA-N 419.478 1.470 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)cc1 1471199588 LBLSXTFOTOMWPS-UHFFFAOYSA-N 409.446 1.908 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1471706179 BCWSLPHYMHEWND-KDOFPFPSSA-N 421.425 1.908 30 10 HDEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)c2ccn(-c3cccc(C#N)c3)n2)n1 1472382820 JMWITKNZUJOMLJ-PKOBYXMFSA-N 403.446 1.842 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1503253787 CDJFSDJXJSYNCQ-IRXDYDNUSA-N 401.492 1.619 30 10 HDEE COC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)OC 1504577211 ARWKLAHDEYIYJW-QAPCUYQASA-N 404.402 1.957 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507631448 DNJZIPICTAWQGM-FXAWDEMLSA-N 406.552 1.987 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1507687381 OCLLNLZDIZVXIU-UHFFFAOYSA-N 403.446 1.996 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@H]2CCCO2)CC1 1507732401 VDSNOFZPWQZATD-VQTJNVASSA-N 417.554 1.513 30 10 HDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507825268 VOCALJOQUFXWGM-UHFFFAOYSA-N 424.505 1.457 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507853093 CCICGOMOMYJCMQ-LBPRGKRZSA-N 403.830 1.319 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507951217 DAFJXQNFWRVNHP-RBUKOAKNSA-N 416.570 1.914 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](COC)C1 1508086023 KIHOXVDKXNQIIE-AWEZNQCLSA-N 421.448 1.301 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098818 RXXAXCKUQWINAD-HRAATJIYSA-N 421.542 1.625 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1508120189 ZEYLGTBDNIJMFU-CVEARBPZSA-N 411.466 1.110 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(C)=O)CC1 1508136057 PBBYAGWMBIYECM-UHFFFAOYSA-N 403.508 1.214 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1508144281 OXMFEZXVHGWXIR-IRXDYDNUSA-N 401.536 1.957 30 10 HDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1514534608 UUKMCCTXTXZWCA-GOSISDBHSA-N 409.494 1.847 30 10 HDEE C#CCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 1520934847 FVWPLMJTNDRXBQ-KBPBESRZSA-N 412.305 1.964 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)cc2S1(=O)=O 1521200345 OYKWPMPGPRLLNK-CYBMUJFWSA-N 413.381 1.531 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c1 1527211604 QSWNWJOIBFEECV-ZAHQYNLSSA-N 422.507 1.251 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C)c(C#N)c2)c1 1534456905 ZXYOVFBPWLRVBL-UHFFFAOYSA-N 416.503 1.375 30 10 HDEE CSCc1nc2ccccc2n1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308605 MFHJWSIVOSUDOR-UGSOOPFHSA-N 404.517 1.296 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1539246184 PUUVQOITRSYFBQ-KSFYIVLOSA-N 410.474 1.575 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1CC 1539391824 ILLRYOJLMPLLGR-GOSISDBHSA-N 402.543 1.475 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1539408841 FGZOOYYQELZFPH-UHFFFAOYSA-N 415.461 1.655 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN(CC)CCC(F)(F)F)CC1 1539469456 SBJHNDFYQCREHF-UHFFFAOYSA-N 414.476 1.827 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539512278 BKGMBGJBBNUXNO-OXQOHEQNSA-N 416.551 1.819 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539514209 WVFAXJGYZSUWRM-MRXNPFEDSA-N 405.549 1.720 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnc3c(c2)c(C)nn3C)s1 1540051162 SNQZYHLJNRVBPM-UHFFFAOYSA-N 405.505 1.984 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540868685 NPSKMXDAYPTGCZ-LSDHHAIUSA-N 420.539 1.209 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540915551 MDTABTRXCQULGD-CABCVRRESA-N 400.570 1.715 30 10 HDEE CC1=C(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1542043831 JIQVVCIBZARLKZ-RJCBAWPRSA-N 412.494 1.855 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)COc3ccccc32)c1 1542541521 FSFZYUNPUWCPCI-UHFFFAOYSA-N 412.467 1.639 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1546587338 IBTPZEYYZZZSNU-QGZVFWFLSA-N 412.494 1.605 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C)on1 1555663098 JEPSOFKIWABVHF-MAUKXSAKSA-N 415.498 1.523 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)cc1F 1556317799 NFYVVLCQELFDHH-UHFFFAOYSA-N 403.345 1.860 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc2ncc(I)n2c1 1556782976 YTGCPDUXBCNZMX-VIFPVBQESA-N 400.176 1.049 30 10 HDEE CCS(=O)(=O)Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1557049416 DHVMJWQPWNFZQF-UHFFFAOYSA-N 421.500 1.410 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 1559824799 WVDOYSXZLWKTQO-MRXNPFEDSA-N 408.458 1.731 30 10 HDEE CC(C)(C)OC(=O)CNC(=O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1559977891 HWKPTJVCHRAHGT-UHFFFAOYSA-N 424.505 1.528 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 1560027006 NBHAIBOOVZYJFM-UHFFFAOYSA-N 411.424 1.941 30 10 HDEE CO[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@](C)(CO)C1 1560062916 JOPIKHFMEXQQDW-ZVDOUQERSA-N 404.486 1.006 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1 1561956881 GITJRXDCGKRLAU-UHFFFAOYSA-N 423.491 1.798 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nnc3c(=O)n(C)ccn23)cc1 1562265134 RVFRCJOFLPMVNF-UHFFFAOYSA-N 421.461 1.564 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CN(C(=O)OC(C)(C)C)C1 1566141966 LTLKENZRSDLEJV-CQSZACIVSA-N 401.529 1.340 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1585446345 RKXHCDFBYHHVQR-WMZHIEFXSA-N 418.453 1.925 30 10 HDEE CC(C)NC(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1587259516 XUJOUTYGRUVGKO-MRXNPFEDSA-N 409.531 1.242 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587586513 PBYYMYHJHFLFLW-VLIAUNLRSA-N 414.487 1.699 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1587626284 JTNRXGOVEDZCKF-CVEARBPZSA-N 421.505 1.773 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1593884256 GPVXHRBCMCDUTF-ZBFHGGJFSA-N 424.958 1.735 30 10 HDEE CONC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1594722878 AVQVRHPINUQRKT-CQSZACIVSA-N 404.854 1.481 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCOC1 1595537201 NJVZXJHFRWIBEL-CQSZACIVSA-N 423.477 1.369 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1595884301 JREDRRLTPVVSTJ-UHFFFAOYSA-N 406.600 1.894 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 1595905650 NRJNNSITRPDSJC-KSZLIROESA-N 423.583 1.442 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@@H](C)C1 1596172591 URBLPPWRJNFODU-KBXCAEBGSA-N 407.478 1.152 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1611158722 CACNIXFYCJNODF-SJCJKPOMSA-N 424.404 1.901 30 10 HDEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1611787769 BJMFZEYPNHRXAZ-UHFFFAOYSA-N 424.505 1.966 30 10 HDEE CN(C)CCOCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1617697313 NNINRGPQTAOHAG-UHFFFAOYSA-N 408.510 1.765 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1620346420 AVOPWDGQKHPAKF-ACJLOTCBSA-N 419.848 1.799 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1620652920 GTOCPQLMMWKWOY-NVXWUHKLSA-N 415.437 1.616 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OCC 1622449275 OWYQTBPYZSOMHN-OAHLLOKOSA-N 400.884 1.505 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268639 PGYCMFCUJZRWNX-UHFFFAOYSA-N 403.439 1.011 30 10 HDEE CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1631733940 CQKBBXZUWNBCHW-UHFFFAOYSA-N 424.457 1.541 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nncnn3)cc2)c1 1631902049 YLJYIXXGHUDRBA-UHFFFAOYSA-N 410.459 1.328 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)OCC)n(C)c2)s1 1634770337 GFDZGWDGMDDVMY-UHFFFAOYSA-N 411.505 1.909 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCn3c(=O)nc(O)c4ccccc43)C2)nc1 1635415832 RLWSBNJLMSDBGU-INIZCTEOSA-N 418.457 1.862 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C[C@H]2C1 1637381291 QFMMATIGHKQDAZ-BZUAXINKSA-N 404.536 1.304 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1637697800 WZMRNQKVDGPTSX-GOSISDBHSA-N 417.487 1.095 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CCCCC1 1639187773 VCLRSCOMHWBTAG-UHFFFAOYSA-N 406.504 1.984 30 10 HDEE COCCN(CC#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1642107717 WDQRXAVKBHLZTK-OAQYLSRUSA-N 420.469 1.498 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 1643109759 AHAAUAWMRMECLJ-UHFFFAOYSA-N 412.490 1.318 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)cc1 1643692261 FFKKCRSJEJYZOF-UHFFFAOYSA-N 404.448 1.529 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)c1 1648952510 YFRYGJGFSQUEOL-UHFFFAOYSA-N 406.552 1.003 30 10 HDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CC#CCN1C(=O)c2ccccc2C1=O 1653643215 ORCIYAHMPFQQQS-HNNXBMFYSA-N 411.483 1.626 30 10 HDEE N#Cc1cccc2c1CCCN2CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1654957503 IOKAIUMTYVHORU-UHFFFAOYSA-N 424.526 1.844 30 10 HDEE Cn1c(N2CCC[C@H]2Cc2ccccc2Br)c(C#N)c(=O)n(C)c1=O 1655584737 CLOADLUEPKQFPP-ZDUSSCGKSA-N 403.280 1.930 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)Cc2nnnn2-c2cc(OC)cc(OC)c2)cc1 1660688643 AEWDYSOKLFQETB-UHFFFAOYSA-N 413.459 1.482 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)c1 1662658484 OWTQRARWIISHEQ-LJQANCHMSA-N 422.547 1.839 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1669081247 FXCOJRIHCMYEGQ-IYBDPMFKSA-N 405.499 1.454 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]2CC[C@@]21CNC(=O)OC(C)(C)C 1670882053 BPQKIHFJILHLBJ-RDTXWAMCSA-N 401.529 1.676 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc3ccccc23)CC1 1676711919 HHVMGNJHYQVJKC-INIZCTEOSA-N 400.504 1.696 30 10 HDEE C#C[C@H](CC)NC(=O)NC[C@H](O)COc1ccc(I)cc1 1681724368 KVOHQBOZPYEYGB-OLZOCXBDSA-N 402.232 1.742 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 1685843946 DPVOCPDKEHSYBL-GOSISDBHSA-N 417.528 1.009 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1689965783 CXWCAZJDDRLWDD-JXFKEZNVSA-N 400.504 1.084 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1690047126 LZEBFHLLVIAOQP-AWEZNQCLSA-N 418.441 1.570 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1 1690047754 YEZBWAUXQPHREH-MOPGFXCFSA-N 418.563 1.992 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1690082520 FCLIDYQAHGTTMQ-UHFFFAOYSA-N 412.523 1.490 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)c(F)c2)CC1 1690120445 VKVOAGIHVLLBHJ-UHFFFAOYSA-N 423.496 1.824 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCN(C(C)=O)CC2)CC1 1690124385 KGYMNKCXJZKPCO-HXUWFJFHSA-N 414.554 1.533 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1690675693 CAASPEIVFGCZCS-KRWDZBQOSA-N 412.494 1.183 30 10 HDEE C[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1698441348 KHBUMVXDNYJBBO-INYHQCFRSA-N 400.483 1.279 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1705485485 KDEKNBIYIBPNKX-HOTGVXAUSA-N 421.509 1.684 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705565263 HQNAVFKGJOVXMU-HNNXBMFYSA-N 418.523 1.360 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1705568971 BJKBLSMZPCSKFT-OALUTQOASA-N 419.595 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C 1705586757 VSCUQFBZQPWDKS-FQEVSTJZSA-N 421.545 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)N(C)C 1705598781 QPHBJJCJHIIXEO-OALUTQOASA-N 419.595 1.619 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(CN(C)C)c2)CC1 1705632346 MTPGPPWXILTSGS-UHFFFAOYSA-N 423.565 1.281 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCC)CC2)CC1 1705639347 MEBQNOLAMJMMEQ-KRWDZBQOSA-N 405.568 1.516 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1705673964 TXBPPIYWFRRWFR-LSGABVIPSA-N 417.473 1.859 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705729065 JUKJWMHFTVZXAB-SJORKVTESA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2ncccn2)CC1 1705899574 XZZJZJOUSGPDRY-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705931925 FXMMMTTVGXSCPI-OAHLLOKOSA-N 418.523 1.075 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)n1 1707822787 MEHSEKUBHJBRJM-UHFFFAOYSA-N 400.531 1.458 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1712879926 RDMMEHPCTYPKHD-JKSUJKDBSA-N 400.389 1.970 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1CCn1cncn1 1712886806 GWDTVXYTDRQIOP-UHFFFAOYSA-N 406.454 1.347 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722316124 BPNQWBMGOFSKNV-UONOGXRCSA-N 420.457 1.751 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1COCCO1 1722426517 JYXVQDOTZISPFO-APWZRJJASA-N 414.462 1.292 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCc2cnn(C)n2)CC1 1722436016 YRQLREMBVGJYTH-UHFFFAOYSA-N 408.485 1.601 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1722441275 JQOSMCWDVFQYAS-KRWDZBQOSA-N 420.558 1.825 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722456708 CSZHBDSNDOTAMR-GOSISDBHSA-N 406.515 1.994 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722549400 MOGJMSYSRLNAIB-HNNXBMFYSA-N 415.885 1.859 30 10 HDEE C=C(C)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722553131 DRCJQVSVUDOYGK-LEWJYISDSA-N 405.543 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(CCS(C)(=O)=O)C1CC1 1722696346 JNTUZULGBXCZMG-UHFFFAOYSA-N 421.498 1.400 30 10 HDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(CC(=O)NCCOC)CC1 1722702687 AKYLKEIVQQCKIP-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1722705566 DPZARTFOLWDOHO-HXUWFJFHSA-N 403.458 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722726351 CQRIFCYQEBMCPR-KZNAEPCWSA-N 424.567 1.636 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC=CCO1 1729066164 WIJWKGUIIKNWFM-SFHVURJKSA-N 409.494 1.753 30 10 HDEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1729366923 MFMZSWNJYIKPDJ-YWMAMYRUSA-N 402.524 1.699 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1730413543 NAZPKVSOKZUXLY-DJIMGWMZSA-N 418.523 1.414 30 10 HDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1731136620 ZBJTWXJJIHXXBV-UHFFFAOYSA-N 400.508 1.760 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1740538285 LKWBKFFRCUUNQV-HUUCEWRRSA-N 417.583 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H](O)C1 1740646480 ASNALPMCIBWAEI-DXIQSLLYSA-N 400.523 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1NC(=O)CC1(C)C 1740649482 VGAKXTYDYOHJRN-IRXDYDNUSA-N 401.511 1.380 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](F)COC 1740681379 JCBIJALLKQPBIR-MRXNPFEDSA-N 404.442 1.787 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740686120 DZSDYDZZFGMBLU-INIZCTEOSA-N 415.460 1.580 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1740774316 QLCIJBPFTMZSTD-GJZGRUSLSA-N 417.601 1.765 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCOCC1 1741478107 MKRBKWMPWUAOKV-FQEVSTJZSA-N 415.586 1.766 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H]1C 1746373155 GTDZIRIITPJECI-JKSUJKDBSA-N 405.510 1.912 30 10 HDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1747354422 PKDMVVGXBLJCPJ-OAHLLOKOSA-N 420.539 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1748670888 DGHRIEYDPGFRGX-YESZJQIVSA-N 423.583 1.895 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1748751446 HUTUOTBVLWSBTD-AWEZNQCLSA-N 419.473 1.278 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748811508 IDJCZQBEQPLKGN-DLBZAZTESA-N 417.535 1.782 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(N)=O)c1 1748875509 QQTWZUOZEVXQFD-PMACEKPBSA-N 421.501 1.417 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1748930755 XMRVDEMFHREQEJ-UHFFFAOYSA-N 412.513 1.632 30 10 HDEE COc1ccccc1O[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1749074159 APHWEMWWDPYUSK-RDJZCZTQSA-N 423.477 1.883 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCn2cc(CO)nn2)CC1 1749343293 FXLNQBSIINCYNZ-UHFFFAOYSA-N 408.510 1.840 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(CC)CC)C1 1749669025 BROIZQDGQHKHRS-ZWKOTPCHSA-N 404.559 1.642 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2CCCO2)CC1 1749677833 LWNXAFACFCXAOD-QGZVFWFLSA-N 416.526 1.098 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1750387758 AEMUJUBANNAQMB-HOCLYGCPSA-N 419.482 1.171 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760105231 MOXIDCXULBVHBS-LSDHHAIUSA-N 416.913 1.946 30 10 HDEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760176924 WJEXTHNWIYOJBC-SFHVURJKSA-N 401.536 1.414 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1760184555 JQOPPNMXTBAINH-QGZVFWFLSA-N 415.519 1.560 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(C)c1 1760209680 GOUYSCCPJYJISY-HNNXBMFYSA-N 405.549 1.769 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1760227867 OPANLOGITHGRMA-OAQYLSRUSA-N 405.543 1.941 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2)CC1 1760253074 AUFKVZQOQINKIP-KRWDZBQOSA-N 416.551 1.000 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CC2)CC1 1760257166 QHPIJUJMAWVRPW-FCHUYYIVSA-N 417.554 1.235 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C)n(C)c2=O)CC1 1760263381 YXENWFIRRVPBPX-UHFFFAOYSA-N 422.558 1.741 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760357729 MSQVBIOAFPBRRW-OXJNMPFZSA-N 405.499 1.796 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760359884 XFZDRJYJLIXLRJ-INIZCTEOSA-N 402.524 1.737 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760438766 NFRBCQBHMANZBK-MSOLQXFVSA-N 413.526 1.914 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)c(OC)c1 1770087027 OAOWHBAOGHKIHU-MRXNPFEDSA-N 401.467 1.854 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)CC1 1770753640 LOLUXNHADSDBBW-GOSISDBHSA-N 416.526 1.945 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1771178916 KFMCMYDKPPZOGE-GOEBONIOSA-N 411.528 1.177 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)c1 1772789396 UQUYNNPHVGQIBV-UHFFFAOYSA-N 402.428 1.726 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)OCCN3CCOCCC3=O)n[nH]2)c1C 1848668053 HHRIIJGDEAEYBL-UHFFFAOYSA-N 401.467 1.872 30 10 HDEE CC[C@@H](C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1)N1C(=O)COc2ccccc21 1851383090 MFZLNIYSXFYNMQ-CVEARBPZSA-N 408.414 1.821 30 10 HDEE N#CCCN1CCN(C(=O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 1851766641 SITLKDFIAZNPBM-UHFFFAOYSA-N 408.437 1.360 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(C)cc(C)c3C#N)CC2)cc1 1852137146 JPCYKHLMSLSCEE-UHFFFAOYSA-N 414.487 1.725 30 10 HDEE C=CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C)C1=O 1852208072 ALAJZHGGRMJWCH-DGCLKSJQSA-N 419.425 1.508 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852424969 FIGQKWBWFPCBPK-OALUTQOASA-N 406.442 1.974 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)cc1 1852808296 KVXXWSKALHFLCG-CQSZACIVSA-N 409.446 1.719 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854189925 MALKMSQZEGLHAK-VQTJNVASSA-N 408.502 1.727 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(Cn4ccnc4)CC3)CC2=O)CC1=O 1854562462 JVJRHDRJOZDLCA-OALUTQOASA-N 413.522 1.005 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(C)Cc3nc(C4CCCC4)no3)C2=O)CC1=O 1856293623 QIVWXVLBKAUWBK-HZPDHXFCSA-N 415.494 1.321 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1=O 1856348245 BCGQWISQFRNQIX-IBGZPJMESA-N 407.474 1.658 30 10 HDEE COc1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)ccn1 1856381894 WJXVHDJJDLLSJK-CQSZACIVSA-N 407.430 1.109 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1=O 1856430616 JTMYILAWPSFDMC-INIZCTEOSA-N 411.911 1.867 30 10 HDEE CCN(CC(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)C(=O)OC(C)(C)C 1856548359 MHPRTXRJLNTMFD-CVEARBPZSA-N 404.511 1.997 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(Cc3nnc(C4CCOCC4)o3)CC2)CC1=O 1856781385 ALBIWJNBOUTTKT-MRXNPFEDSA-N 401.467 1.464 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(CCN4CCOCC4)CC3)CC2=O)c1 1857037755 IFXARMDSLDPDGM-OAQYLSRUSA-N 410.518 1.591 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccn3ccnc23)C1)[C@@H]1CCN(C)C1=O 1857062945 SUHMBVIBUYJGJW-SJLPKXTDSA-N 409.490 1.432 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1857145693 DUMSKHYZEZXLOO-RTBURBONSA-N 404.474 1.229 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857201084 ARSYEELZVYFBKM-KBPBESRZSA-N 403.870 1.510 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)CN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)c1 1857236477 HCOAUHGGBWTYJV-INIZCTEOSA-N 409.467 1.986 30 10 HDEE COc1cc(C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)ncc1Br 1857252724 KCHKAGXLQHCQOU-AWEZNQCLSA-N 407.268 1.829 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CCC 1873572913 OKEPMYTVKRYDFL-UHFFFAOYSA-N 406.494 1.874 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(OC)c1 1874432426 FMNCURXQHRMSOO-ZVBGSRNCSA-N 420.495 1.129 30 10 HDEE C=C(Br)CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1883383069 FQEJVXPAMLGINT-LBPRGKRZSA-N 406.254 1.689 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC3(CNC(=O)O3)C2)[C@H]1c1ccc(C#N)cc1 1890716523 HWNSEWZCBLSKJB-IAGOWNOFSA-N 414.487 1.273 30 10 HDEE C#C[C@@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)c(=O)n(CC)c(=O)n3CC)CC2 1891430356 FSBIXWXROOJTHJ-OAHLLOKOSA-N 415.515 1.627 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCC1CCN(S(=O)(=O)c2cccnc2)CC1 1891812348 VGKBGHJWCUKENK-UHFFFAOYSA-N 420.516 1.332 30 10 HDEE N#CCCN(CCC#N)C(=O)Cn1ccnc1CCN1C(=O)c2ccccc2C1=O 1969179091 REEPCLNCXCAKAF-UHFFFAOYSA-N 404.430 1.378 30 10 HDEE C=CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074681557 UIYOIXPKOFVGCX-OANHIGOFSA-N 410.492 1.584 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2141592255 FSXLEAVACDNCOB-MRXNPFEDSA-N 418.515 1.753 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 2142097235 KTTDAHVMXFAFCL-HZSPNIEDSA-N 404.554 1.280 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)CCC1(F)F 2174780121 QJNYIRGDDUEKEL-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)cc1 2174780658 WWYDTYQZRMDPKH-UHFFFAOYSA-N 415.493 1.129 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2243389052 GBMOYMQNMAVGNI-UHFFFAOYSA-N 415.324 1.988 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243674495 KCNXHUDRYMKXJS-GFCCVEGCSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CBr)[C@@H](O)C(F)(F)F 2244542766 BURMITIBYUCVKB-RKDXNWHRSA-N 403.195 1.665 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247779158 OMTKVCBNNUNKNP-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2247825430 DMQOIWUIYHXIOO-ZIAGYGMSSA-N 420.319 1.598 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825739 IZLGZVVUDSKYMB-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE CC[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247857837 JDEQMUNLDPLIDB-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C(F)(F)F)s2)OC1(C)C 2267715731 BNHKFELFZUFIQT-QMMMGPOBSA-N 401.237 1.249 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2282329236 KCLGFFJFCYYRFM-CYBMUJFWSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2(F)CNC2)OC1(C)C 2282489320 DLJFDNUJVUVKLL-UHFFFAOYSA-N 404.700 1.229 30 10 HDEE CCCNCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282490868 LIANADVONMEAGN-UHFFFAOYSA-N 402.753 1.917 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](CCN)C2)OC1(C)C 2282493092 RORODUNJCXGATG-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE C[C@@H](O)[C@@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502153 HFIACSYVUVWRQO-YPMHNXCESA-N 402.347 1.117 30 10 HDEE CC(C)[C@](C)(CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505884 KLHGLBQDJLYIEM-KRWDZBQOSA-N 402.391 1.840 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)C(C)(C)C1 2282833890 MEOGRMCLUCOQAQ-ZDUSSCGKSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1csc(=N)[nH]1 2282835644 XPIYLVDWBPHOJF-UHFFFAOYSA-N 415.371 1.703 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCN2C)sc1B1OC(C)(C)C(C)(C)O1 2282840610 OQGNMEHGRCIRBR-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CN(C)C(=O)OCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282854912 XIUDGMMTXVCQIU-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](CO)C(F)(F)F)c2)OC1(C)C 2282858102 RSULKLKMLPPBFJ-VIFPVBQESA-N 415.264 1.496 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](C(=O)O)C3CC3)cc2Cl)OC1(C)C 2284402308 IFBODAKEBXFUOM-NSHDSACASA-N 421.733 1.842 30 10 HDEE C#CCCC1(CCC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)N=N1 2297714662 MPJWLXXBAIVNIP-UHFFFAOYSA-N 409.556 1.996 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338242028 QMWAFQRCFZJGKJ-ZIAGYGMSSA-N 401.554 1.801 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2342052900 WEEKTNPFXXOBKS-CHWSQXEVSA-N 400.522 1.520 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2365209396 VLAUNFSHVOPLIZ-HUUCEWRRSA-N 404.573 1.845 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CCC[C@H](NC(=O)OC(C)(C)C)C1 2365212077 QHUFWSQFMHMBMM-CVEARBPZSA-N 401.573 1.390 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365213434 UXALMVSYEDRGKK-IQUTYRLHSA-N 400.541 1.339 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1 2367787004 JNMJDSOTAVJCGJ-OWCLPIDISA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCOC)NC(=O)OC(C)(C)C 2367789630 DKSMLYCHDIRKET-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367806910 OJEYEOCUUADOED-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2372804666 PGZXWPOBWJMTLU-KDOFPFPSSA-N 404.529 1.810 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2ccccc2)cc1 47418404 TWQWEHTZNAOXRJ-UHFFFAOYSA-N 402.472 1.966 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(Br)cc2F)CC1 63240940 SCJXUHYNJHMDQN-UHFFFAOYSA-N 412.303 1.967 30 10 HDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5cccc(O)c5)CC4=O)nc3c2)CC1 170181430 KNSSHOMVFCICOV-UHFFFAOYSA-N 404.474 1.737 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 409653469 UGPUTGCGZHBVIK-QGZVFWFLSA-N 420.517 1.949 30 10 HDEE CC(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460640964 UPHKQZWLIXQKFS-DOTOQJQBSA-N 412.498 1.399 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)c1C#N 472076497 CUYBKISZCXNMJU-GOSISDBHSA-N 422.493 1.022 30 10 HDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)n1 473794950 OBYOXDPSWOABSU-GOSISDBHSA-N 405.458 1.869 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NC(=O)NCCn3cnc(C#N)n3)CC2)cc1 476785394 AGFTUDOXORGDDB-UHFFFAOYSA-N 411.466 1.152 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485997552 BJWSNYYAZXPXDK-VQTJNVASSA-N 419.485 1.625 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 497374816 QJIDRJNMGGCOPX-DOTOQJQBSA-N 404.492 1.009 30 10 HDEE CC1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 503984779 GBLBUIILRXKDNG-UHFFFAOYSA-N 412.537 1.604 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508864611 PJZRFGZOHGFYEM-ZDUSSCGKSA-N 406.468 1.509 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 508878806 BPAIMXFZNHRRAP-UHFFFAOYSA-N 424.549 1.830 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(N2CCc3cc(F)ccc32)CC1 510378943 QJKZIRCKBYWPAI-UHFFFAOYSA-N 410.515 1.759 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 511925316 YFNRSPXFJJQRQU-UHFFFAOYSA-N 414.384 1.304 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@H]1CCCO1 514654597 LOAXKKMBTGXXES-LLVKDONJSA-N 421.881 1.130 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)NCc3ccc(OC)cc3)cc2C1=O 521241748 CHASUAMKXOFBSX-UHFFFAOYSA-N 407.426 1.523 30 10 HDEE CC1(C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]2CCO[C@H]21 525491739 YIZLPOMXCPAMFW-KBAYOESNSA-N 418.519 1.388 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 533753525 QRZNXEABGIFKEP-CABCVRRESA-N 424.486 1.683 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 554287535 CJTSZALWGOZSCO-OALUTQOASA-N 404.470 1.683 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCOC1 559214065 BUFCJDZMDVEQQX-CABCVRRESA-N 403.508 1.981 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1 585227039 JEOMFTDMTPNWPS-UHFFFAOYSA-N 400.389 1.598 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(OCCCO)CC1 588119507 CXQKARSNJAVOHB-UHFFFAOYSA-N 403.298 1.873 30 10 HDEE C[C@H]1C[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1C 610177696 AJKDENWWZNVKIN-QFBILLFUSA-N 418.563 1.900 30 10 HDEE Cc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1S(N)(=O)=O 611505712 YQBJDGZAJBLLRK-UHFFFAOYSA-N 412.515 1.931 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671665837 BNTXGXDBXBMWJI-CQSZACIVSA-N 406.464 1.135 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 730984713 HQEKOIRFDJFGRA-CQSZACIVSA-N 422.482 1.117 30 10 HDEE C#CCN1CCC(C(=O)NC[C@H](CC(C)C)NC(=O)C2CCN(CC#C)CC2)CC1 732114717 PBTITRRYBXETJD-QFIPXVFZSA-N 414.594 1.324 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 732144173 WFWFUQMRWXGRJK-OAHLLOKOSA-N 422.507 1.536 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)ccc1OC 733276465 CYOWZPIXQGJQBF-MNDMWVCDSA-N 412.446 1.103 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[S@](=O)CC)nnc12 733960615 JRLROCDPVMTKNN-MUUNZHRXSA-N 419.532 1.207 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 739047751 DIBHZJCWMOYITM-GDKCEORYSA-N 421.523 1.665 30 10 HDEE CCOc1c(F)cccc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 745685288 CHDPAWRONKCJAU-UHFFFAOYSA-N 416.409 1.898 30 10 HDEE COc1ccc(CNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1C#N 746704005 UWZAWVFWORVIAC-UHFFFAOYSA-N 409.494 1.368 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2CCOCC2)cc1C#N 747497660 ICJBHULPTILCCJ-UHFFFAOYSA-N 408.458 1.654 30 10 HDEE C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749212141 FUVSDSKYROWANI-ACIHENLCSA-N 405.484 1.301 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1C#N 752406589 YTGHSIZVCWSREU-INIZCTEOSA-N 414.340 1.591 30 10 HDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2cn3cccc(F)c3n2)CC1 755731475 SNHRYTDQNWNQQM-UHFFFAOYSA-N 417.470 1.251 30 10 HDEE CC(C)CN(C(=O)CON=C1CCN(C(=O)C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 756863443 UDQABVVDKCBFEY-KRWDZBQOSA-N 415.556 1.309 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCN(Cc3nccn3C)CC2)c1=S 764974434 AVWGTVMFWKZKDA-UHFFFAOYSA-N 411.539 1.566 30 10 HDEE C#CCN(C(=O)Nc1cccc(CSCC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 774036330 NAOUSJBFDVLFTF-MRXNPFEDSA-N 410.517 1.747 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 775910528 WZRRBBNABMVAQN-KUHUBIRLSA-N 403.460 1.717 30 10 HDEE COc1cc(OC)c(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c(OC)c1 781368241 NDOARQIYRPSHFG-UHFFFAOYSA-N 402.455 1.664 30 10 HDEE C#CCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 783036115 ORWULNSAZXNSON-LXPRWKDFSA-N 416.503 1.475 30 10 HDEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)ccc1Cl 786859894 HEJVXZHQNOFKIP-QGZVFWFLSA-N 404.854 1.775 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790778122 UBBSQIGHOMCQLJ-QFIPXVFZSA-N 422.570 1.955 30 10 HDEE CC[C@@H](C)n1ncc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1C 791673624 UIRSKUMANAYBGK-CYBMUJFWSA-N 414.466 1.836 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 794580193 VTSBEVASIHPMLH-HOTGVXAUSA-N 414.483 1.181 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 797086799 LXJOQPORCKLMJF-KRWDZBQOSA-N 418.494 1.998 30 10 HDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)c1 798862245 QHIDBFXZSUWGKN-UHFFFAOYSA-N 412.427 1.880 30 10 HDEE COc1ccc(C(Cc2ccccn2)=NNC(=S)NCCN2CCOCC2)cc1 807947272 NSBHORMOSWWXIO-UHFFFAOYSA-N 413.547 1.833 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 812273818 KVDCTPRZIWMGED-DOTOQJQBSA-N 417.535 1.832 30 10 HDEE CN1C(=O)N(CC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 812646259 KGPKTLRHUJTZSW-KRWDZBQOSA-N 424.457 1.804 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)CN2CCCC2=O)C1=O 917700013 BXQSKHXTWLUKON-BBRMVZONSA-N 413.503 1.637 30 10 HDEE C=CCCOCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1130902505 URMGVYKGVLIDII-GXTWGEPZSA-N 408.417 1.959 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCC(F)(F)F)C2)C1 1136294707 KDHVPTMCBPRXJD-VMBJYNEYSA-N 418.416 1.568 30 10 HDEE N#C[C@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1ccc(OCc2ccccc2)cc1 1136591962 JYBNEGOTSLLVTL-CTNGQTDRSA-N 406.442 1.810 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCCS3(=O)=O)c(C#N)c2N)cc1 1137137208 MSQUJZFJRQCHGY-KRWDZBQOSA-N 401.492 1.261 30 10 HDEE C=CC1(CC(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)CN(C(=O)OC(C)(C)C)C1 1139042278 NGWPGMKIUFTJHR-UHFFFAOYSA-N 404.515 1.747 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1141255162 CYCXMYCWLXTFOQ-UHFFFAOYSA-N 412.830 1.554 30 10 HDEE C#CCN(C(=O)[C@H](CC(=C)Cl)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1142046943 RJZQCADMZMKFER-KGLIPLIRSA-N 404.916 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1F 1148085908 RMENBMMTVXSHRA-OCWZUINPSA-N 410.446 1.367 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2nn[nH]n2)ccc1F 1149500378 LJYZZNMXXIEXKW-MRXNPFEDSA-N 416.438 1.323 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 1151546609 UMRQYRNPZGBGTO-CYBMUJFWSA-N 415.537 1.449 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1ccc(Br)cc1C#N 1167213967 IHRIILHJENOIFV-SFHVURJKSA-N 408.296 1.666 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCc3c(cccc3S(N)(=O)=O)C2)C1=O 1175630202 CSHXQQAREVEFDZ-HNNXBMFYSA-N 402.501 1.431 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CC#N)n2)CC1 1175837005 GKFWGCVAEHRXCX-UHFFFAOYSA-N 402.480 1.527 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CCCN1C(=O)OC(C)(C)C 1180028598 SQQFDSHTQAUGIR-BTYIYWSLSA-N 415.494 1.670 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccncc3)C3(CO)CCC3)CC2)o1 1196442173 OQVPZRJAYOXEIT-FQEVSTJZSA-N 424.505 1.392 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C(=O)OC 1213385321 QBFNUQNYOMDYBW-AWEZNQCLSA-N 420.509 1.243 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)c1 1214106767 ZNGAHGHTKGYBPO-HXUWFJFHSA-N 415.515 1.946 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1251366870 JLVDQTHPNZZODA-SJLPKXTDSA-N 409.577 1.843 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1251732415 ZFQPDRKVOKTMDB-SHTZXODSSA-N 419.503 1.322 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286336321 WVKBGLXJIGJIJF-UWJYYQICSA-N 403.527 1.789 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)C(C)(C)C 1286365801 JRGIZZBODDIVSO-HHHXNRCGSA-N 422.576 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1286399957 SAXRYMIWYUDVHE-KRWDZBQOSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N(C)C 1286405894 LEKHIMUJUUEUFK-UHFFFAOYSA-N 405.911 1.563 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1286565506 PLLOKGGKYOVWSQ-BXWFABGCSA-N 400.483 1.110 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1286711541 MMPMFNYZFCUVMJ-DLBZAZTESA-N 411.572 1.303 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)C1 1286855687 AMFVCCYBSDDUQD-RDJZCZTQSA-N 401.515 1.511 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1289327030 WCNWURGQBZFQPF-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE C[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)S1 1291204981 CGCYFQBSDZDPPC-XQQFMLRXSA-N 424.552 1.731 30 10 HDEE CCC(O)(CC)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1292294111 RWKCGJXZJMOMLH-OXJNMPFZSA-N 407.515 1.599 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1292703935 NSZKRUZZYDITHU-IIBYNOLFSA-N 424.517 1.654 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](S(C)(=O)=O)C3)C2)C1 1296940190 SIBONMAVMHEDCK-LPRCSBTHSA-N 411.524 1.419 30 10 HDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1297640311 KGIBTNXFLXWADL-UHFFFAOYSA-N 415.519 1.745 30 10 HDEE C#CC[C@@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)C(=O)OC 1299179429 YJCYQTYTFZVXDW-CQSZACIVSA-N 401.444 1.633 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCN(CC)CC1 1300268013 MIRHBTODGCGPNQ-ROUUACIJSA-N 417.602 1.680 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300296566 ZMQMKIIQPFGEQJ-OAHLLOKOSA-N 419.489 1.005 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCN1CCCS1(=O)=O 1301335209 ZTCOYFWJAOZXKA-UHFFFAOYSA-N 405.524 1.823 30 10 HDEE C=CCOc1ccccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)C1 1301531711 UVZGKJZZKSPGST-UHFFFAOYSA-N 421.505 1.689 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1303770862 DXDJIQOVYWPGSW-YOEHRIQHSA-N 419.507 1.101 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccn2)c1 1306850988 GDDZJRHYHIBKKP-UHFFFAOYSA-N 409.265 1.310 30 10 HDEE CC(C)NC1(CO)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1309680350 HITJZXFXFBRDMA-UHFFFAOYSA-N 416.341 1.834 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1314631110 BHAVARGJJVAJJP-KRWDZBQOSA-N 409.494 1.387 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCSCCCO)c1 1316531861 RJQIWTIVMJNOOX-KRWDZBQOSA-N 414.535 1.634 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1318923134 ASUUDMDAMUCTEQ-YZHQAQFHSA-N 405.476 1.437 30 10 HDEE C#CCCCC(=O)N[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1345749665 RLVIIQUJLVYXBM-KKEPMVJESA-N 400.519 1.727 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1358954364 FXDYJDMHTHHKLE-INIZCTEOSA-N 407.515 1.819 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1358959782 PPJVHTCNJNJKRJ-KRWDZBQOSA-N 400.504 1.990 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1358962352 OHRZQIHBFLZSNP-IRXDYDNUSA-N 420.560 1.909 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1358978732 STJSBQZKSNTOKX-RTBURBONSA-N 417.579 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCCCCC1 1358984476 XDRYECIQWHHFKH-UHFFFAOYSA-N 412.538 1.672 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1359013296 SJWDUFLHMSBDKR-UHFFFAOYSA-N 400.527 1.509 30 10 HDEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1359131278 OCELCWQVGCQTEC-LJQANCHMSA-N 424.505 1.970 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H](C)C2)C1 1359324872 TZFPAOUYVUYRGT-RBUKOAKNSA-N 416.570 1.914 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1360338622 HGPOCBHSLMUXFG-WOJBJXKFSA-N 420.489 1.287 30 10 HDEE COCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1443672495 JBBVGESGNQDVSJ-LSDHHAIUSA-N 417.528 1.236 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1449511597 VQMRNPMRMWOCQZ-CABCVRRESA-N 418.560 1.410 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1449511609 VQMRNPMRMWOCQZ-LSDHHAIUSA-N 418.560 1.410 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(O)C1=O 1450155250 JIVVTJFVNHUCOU-HZPDHXFCSA-N 406.483 1.118 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1450527499 OTBZRBJDAJHLDH-WBVHZDCISA-N 401.463 1.579 30 10 HDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)CC1=O 1453387137 CRISJLMVJQQZGB-SJORKVTESA-N 415.563 1.601 30 10 HDEE Cc1cnc(C2(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CCOCC2)[nH]1 1456366902 NCAGYERCYDCTHO-UHFFFAOYSA-N 402.476 1.327 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 1460133332 DMFIKFBANIOKCA-MRXNPFEDSA-N 404.467 1.133 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 1460224795 YPMAZUPXRNZJAZ-CYBMUJFWSA-N 408.476 1.682 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)NCC(F)(F)F 1462875864 GYDUUNDXIRFRAZ-ZETCQYMHSA-N 414.203 1.666 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1464431424 QPLXSUPRTYKRNT-LSDHHAIUSA-N 416.544 1.504 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CN1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1468656836 HHIXTILSZGNHBE-SFHVURJKSA-N 421.586 1.667 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)O2)CO1 1469730082 SBGQSCQKVTZETA-HWEQFAERSA-N 408.499 1.771 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CC2)nc1 1470339981 DRUYGXBQMKOARV-FQEVSTJZSA-N 420.448 1.919 30 10 HDEE COCCN(C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1470982713 AXDUQSPCECOMDM-SFHVURJKSA-N 420.535 1.372 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2NCCOC)C1 1471607211 REPRSAXVZMIGIW-UHFFFAOYSA-N 411.499 1.573 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 1471832310 CAARQELAOFKYPB-VQTJNVASSA-N 403.548 1.442 30 10 HDEE Cn1nnnc1-c1ccccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1472234154 XCSDQUUPQYYYTH-UHFFFAOYSA-N 400.395 1.566 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CS(N)(=O)=O)CC1 1472505230 REKCRJVDNLUZQJ-OAHLLOKOSA-N 403.545 1.763 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(N3CCCOC3=O)CC2)[C@H](C#N)C1 1478402620 CQJRSSCSDLLWLK-GDBMZVCRSA-N 421.498 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(N3CCCOC3=O)CC2)C1 1478402722 CQJRSSCSDLLWLK-HOCLYGCPSA-N 421.498 1.762 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CON(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1479466088 FIBSXZALAFKTDA-CYBMUJFWSA-N 422.511 1.706 30 10 HDEE C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493953630 ZEZATSDGMGQPMY-MCYOWCNASA-N 400.483 1.545 30 10 HDEE CCc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498993468 PLBNCRLFNLCQGO-CVTQAYBASA-N 423.477 1.420 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(CC)nnc1N1CCN(c2ncccc2C#N)CC1 1502384134 IHUIHJWQSIWJDE-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1507511826 AIHWMEMDUQOWEX-GJZGRUSLSA-N 409.556 1.479 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1507534484 PULTYGAYEYTHNZ-RHSMWYFYSA-N 412.469 1.185 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1507536844 FDSSTPRGTCDENZ-GDBMZVCRSA-N 419.526 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(CC)CC1 1507548408 RROIVLMCWUREPR-AABGKKOBSA-N 418.586 1.488 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507581441 SOBYREYPFOVMTO-IRXDYDNUSA-N 413.526 1.460 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1507611533 MSUSLJPRNCMGIJ-HHHXNRCGSA-N 408.553 1.076 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)c2)CC1 1507722994 QIUNPWHYSKVKSH-UHFFFAOYSA-N 414.517 1.938 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2([S@](C)=O)CC2)CC1 1507734151 SIDLEGAMDRDMBT-JMGYQRAPSA-N 405.568 1.669 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CCOC)C(=O)C1 1507796439 HXVMAXYNEGYACV-HKUYNNGSSA-N 403.527 1.822 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507836085 WQTNEQCHVIHBBG-NRFANRHFSA-N 420.558 1.310 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)CC1 1507902576 KRYDJBXFLQEVKA-INIZCTEOSA-N 419.555 1.344 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1507914760 OHBOAPYLHKCKPC-SCLBCKFNSA-N 412.560 1.192 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CO)CC1 1507961541 BBVZBROGRFHDAI-UHFFFAOYSA-N 403.483 1.807 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1507968015 NDLAHPKGGQCNLY-CQSZACIVSA-N 409.560 1.720 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1508062184 UMANQQPWKCLAEE-GFCCVEGCSA-N 400.405 1.091 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508072615 DKHOZDNKFKRDBL-MRXNPFEDSA-N 414.897 1.712 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCCOC2)C1 1508139446 GUXSOBLFHRHKAD-LJQANCHMSA-N 420.539 1.286 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1=O 1515787045 BHCJSWUOJKWRBS-ZBFHGGJFSA-N 418.523 1.006 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)[C@@H](C#N)C1 1517003993 CGTVBCIANLSYKI-HNNXBMFYSA-N 404.467 1.697 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]2NC(=O)OC(C)(C)C)CC1 1519094712 KKMCENNCTYLYEP-FJIDUMEYSA-N 403.523 1.914 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)cs1 1520301945 DSWIYMZVPFCTFI-UHFFFAOYSA-N 400.551 1.321 30 10 HDEE CS(=O)(=O)C1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1521759656 OSLYZVUNQXMUFA-VJFUWPCTSA-N 403.504 1.773 30 10 HDEE C=CCn1cc(C(=O)N2CCN(C(=O)c3ccc(Br)cc3)CC2)nn1 1527573306 BCXPMXRDRVNVTC-UHFFFAOYSA-N 404.268 1.825 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1 1537401764 NFUSDDIQNYCOJD-AWEZNQCLSA-N 418.441 1.635 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCO[C@H]1C 1539278678 HSROJCYHMYDXRS-MBSDFSHPSA-N 424.501 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ncccc2N(C)C)CC1 1539484274 JQFWBAYXRJAWBH-UHFFFAOYSA-N 421.549 1.706 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 1539868649 LRDFAUBCBLUKRP-UHFFFAOYSA-N 421.567 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 1540901640 KZMZZJFDQKNEMR-KRWDZBQOSA-N 418.567 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCOC1 1540904699 OXPRQLSMUOFGEM-GOSISDBHSA-N 419.551 1.728 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540905572 XMSAYKIYFOEIRQ-KRWDZBQOSA-N 418.567 1.634 30 10 HDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541297479 SMKLRGXOGMJBIN-SZNDQCEHSA-N 412.494 1.724 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC(=O)N2)c1 1543195617 MXYUXTLSGMHGSN-GBPUDXIESA-N 406.508 1.887 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc(S)n2CC)s1 1543513885 YAYDFWLJPHEVLU-UHFFFAOYSA-N 415.566 1.014 30 10 HDEE CCO[C@]1(c2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1547926772 BYAPAHQALIJHLR-FUHIMQAGSA-N 417.466 1.293 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cnnn1C 1555731219 CBACYAIWLHWWRY-HKUYNNGSSA-N 422.493 1.687 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSCC1 1555816182 BSOWJWXDCOZXIO-UHFFFAOYSA-N 406.537 1.309 30 10 HDEE COCCn1cc(CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c(O)nc1=O 1558080270 FHPMHPKZJOMBNK-UHFFFAOYSA-N 417.491 1.196 30 10 HDEE Cc1cc2c(N3CC(NC(=O)c4cnc(C(F)(F)F)c(C#N)c4)C3)nccn2n1 1558821039 HDCBSDCRCGLFKL-UHFFFAOYSA-N 401.352 1.942 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCC1(C#N)CCCCC1 1565086337 OVSIOCDFRIAHJT-UHFFFAOYSA-N 412.487 1.967 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 1565346704 WASZYGQKIJOJPC-GFCCVEGCSA-N 402.446 1.486 30 10 HDEE Cc1[nH]nc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1I 1570848786 RLYGFEPTGFUFEZ-ACCUITESSA-N 415.191 1.178 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1585000303 WJOWRDRWPWIFDR-LJQANCHMSA-N 421.419 1.677 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)CC1 1585004612 RGLJPLYSPRMENE-LJQANCHMSA-N 403.429 1.380 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC 1587594420 WGNMWIGHKSWSCF-LBPRGKRZSA-N 411.915 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1588113491 MSDNEEWDPRYKPL-UHFFFAOYSA-N 407.499 1.714 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588284597 VSKYGPJTGXHTPH-GOSISDBHSA-N 406.490 1.771 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1588482198 OOHKDCFIWQUXSD-SFHVURJKSA-N 424.480 1.534 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCOC1 1588595679 YJPUDFCUINKRCB-FQEVSTJZSA-N 422.432 1.784 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1588844022 HZWZLVDONXIRQX-ZDUSSCGKSA-N 405.314 1.561 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593878257 FXFKMZWANQKGIS-KGLIPLIRSA-N 420.905 1.457 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1594839675 QCZPIHAMNOZJHJ-UHFFFAOYSA-N 417.514 1.293 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1595297588 SSAPHYWHSPEIFJ-ZDUSSCGKSA-N 407.425 1.644 30 10 HDEE N#Cc1cncc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 1596855681 JVJUMKXHGSMKKC-MEQKGCOVSA-N 403.442 1.373 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)C2)nc1 1596978826 SMRPIHWVIXCBTI-INIZCTEOSA-N 415.457 1.955 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1607455112 GLCBDPYLTMYKML-GBESFXJTSA-N 402.543 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccc(CC#N)c2)C1 1611547138 XWUFVVMMDPFTCC-KRWDZBQOSA-N 421.519 1.907 30 10 HDEE Cc1cc(NCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 1617753482 POIGEQMRDAYSJN-MRXNPFEDSA-N 409.450 1.034 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618129458 BDUPJDOUNGMSSG-ZJYNUGOYSA-N 423.477 1.339 30 10 HDEE C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1618411272 PRDPSZLKRQODOD-ZRGWGRIASA-N 413.540 1.999 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2cccc(C#CCO)c2)ccc1OC 1618618653 WBARIYZUPITWLG-UHFFFAOYSA-N 418.471 1.216 30 10 HDEE COCCOc1ccc(CNC(=O)CN2CCc3c(sc(N)c3C#N)C2)cc1 1620642245 MYYMCMQRCKNYNV-UHFFFAOYSA-N 400.504 1.902 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)Cc1cnn(C)c1 1623890677 RWRCGZVDPDYIKM-GJZGRUSLSA-N 400.907 1.723 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 1624413072 GUFGTOFWJULCHO-UHFFFAOYSA-N 422.507 1.675 30 10 HDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1625082043 WQFJCGYOHOJSQM-LMKMVOKYSA-N 421.320 1.929 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)cc2C(=O)NC)s1 1627713900 QDROJOPWHWAYIN-UHFFFAOYSA-N 423.516 1.762 30 10 HDEE CN(C[C@H](O)c1ccccc1Br)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1629985817 TZMBTWODVRUTFP-HEWTWTGNSA-N 422.279 1.857 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)c1 1630766500 QYLDBKWRAGYDHU-CQSZACIVSA-N 416.528 1.782 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1 1631704926 VWFDRHPLTHSCLT-UHFFFAOYSA-N 403.442 1.482 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)n1cccn1 1634245413 QQUPPGGNIJWNGT-MRXNPFEDSA-N 417.535 1.888 30 10 HDEE C=CCC1(O)CN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 1634493059 YZAXSYWGXYYXAP-UHFFFAOYSA-N 407.264 1.975 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cn(C)c2ncccc12 1635927552 XALOXIHFECFDKS-AWEZNQCLSA-N 411.487 1.471 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 1638010560 GBHLOJFCYQUCGX-HZPDHXFCSA-N 418.498 1.461 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)C1 1640219659 WLUNIRMSKWWBLS-SFHVURJKSA-N 402.520 1.554 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 1641376290 RTUCXCHLDRCHAZ-RTBURBONSA-N 417.531 1.233 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)c3ncc(C#N)c4ccsc34)CC2)CC1 1642226671 HYCCUKZRQFJTDR-UHFFFAOYSA-N 412.563 1.843 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)CCN(C)CCO 1642422180 QDVCXROHRJKAJL-UHFFFAOYSA-N 414.300 1.481 30 10 HDEE COC[C@]1(C)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1643174562 HHDLTTURPMMQIA-OAQYLSRUSA-N 413.478 1.813 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CC(F)(F)CO)CC2)CCCN1C(=O)OC(C)(C)C 1644003531 NMYOYNKDVRCQSP-LJQANCHMSA-N 415.481 1.551 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1645045734 FLXXTLXECMCOFA-HNNXBMFYSA-N 414.462 1.482 30 10 HDEE CN(OCC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1648024904 ZERLBVKTIJTJHW-UHFFFAOYSA-N 405.398 1.911 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155515 IWDUIPVCJFVHSK-IFXJQAMLSA-N 402.451 1.639 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCc3c(sc(N)c3C#N)C2)CC(O)C1 1648295540 KVHOWQJCJWETKS-UHFFFAOYSA-N 406.508 1.752 30 10 HDEE Cn1cc([C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)nn1 1648592094 VZQWWLJUEILVSQ-FUHWJXTLSA-N 413.551 1.465 30 10 HDEE COC(=O)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCOC1 1648881090 YOLWTZDZZJECPM-IRXDYDNUSA-N 403.454 1.856 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)OC1(C)C 1651184918 MCKNHDWXYKSHAE-AWEZNQCLSA-N 403.375 1.992 30 10 HDEE C#CCN(C(=O)c1ccnn1CCN(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973647 RLWUBWBSMLDDND-UHFFFAOYSA-N 403.527 1.920 30 10 HDEE CCc1noc([C@H]2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1653186850 YYJYCTDHLCPPNB-UONOGXRCSA-N 403.464 1.234 30 10 HDEE NS(=O)(=O)c1cc(C(=O)NCC#C[C@H]2CCCCO2)sc1Br 1653544960 UILSLVFJVVHRJQ-SECBINFHSA-N 407.311 1.460 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCNC1(C(=O)N2CCOCC2)CCCCC1 1655866954 UOTLJQWBOURYRC-UHFFFAOYSA-N 409.486 1.437 30 10 HDEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1cc(F)cc(C#N)c1 1656305187 DAVPVWNBFDCGJU-UHFFFAOYSA-N 401.460 1.907 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1657038711 MXZCSGVSFHQZLH-UHFFFAOYSA-N 418.288 1.063 30 10 HDEE C#CC1(O)CCN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1669346358 DSVABXSCFOHFSM-UHFFFAOYSA-N 405.520 1.151 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C1CCOCC1 1670502560 QPZGUNGQRSBKIU-AWEZNQCLSA-N 401.282 1.255 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1678937940 ZLNAIUOJGYZDIL-UHFFFAOYSA-N 406.442 1.750 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1680025025 SOCLJPWUYXDYAU-KNQAVFIVSA-N 422.489 1.792 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCOCC1 1686222743 OCXSITQRQBYCRR-HMGBVJPOSA-N 400.519 1.870 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1689927715 ABPQGZQLXJDQIC-LJQANCHMSA-N 424.553 1.315 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1689976795 YNRNXAWMINGTML-HNNXBMFYSA-N 404.515 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ncn(C)n1 1690010202 ZTKAUYUSFLWSMV-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690070603 CMBRZLVWMWVWOS-UHFFFAOYSA-N 409.494 1.987 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690101366 YIHUBJIMFIIMPH-ROUUACIJSA-N 413.526 1.320 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(C)COCCO2)CC1 1690140001 HXCHTEINHUQBTG-HSZRJFAPSA-N 423.517 1.716 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690236384 MBSYHGSETBZLMJ-IKGGRYGDSA-N 411.572 1.901 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690290302 BHHOQZNYXDOMMD-OAQYLSRUSA-N 409.494 1.655 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690464775 KJPOFMXEGQRRRB-BEFAXECRSA-N 409.556 1.499 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690503669 KJADJGZDCGNONL-SFHVURJKSA-N 415.494 1.498 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690511348 YAJCNIOGLUOYIP-SFHVURJKSA-N 413.526 1.170 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690994236 YNLVNFHEEVTICU-GUXCAODWSA-N 402.499 1.448 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1692561522 HODHUNHNVFXXPC-NRFANRHFSA-N 407.478 1.058 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)(C)C)CC1=O 1696882751 WVZRWQNSVQYXPH-UHFFFAOYSA-N 412.494 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705496288 CTOIQFVCQKOXAK-KUHUBIRLSA-N 422.938 1.530 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1705541408 IJGZTROKYFSVIN-KRWDZBQOSA-N 424.615 1.716 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1705564719 CFVTYOMPMRLDKO-MRXNPFEDSA-N 414.535 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705580723 PSTHAQYYFAUQBY-SFHVURJKSA-N 411.469 1.861 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)c1ccccc1 1705629115 XOYAEVGBGUNNER-IBGZPJMESA-N 414.531 1.980 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1705734962 FVHMGHTZSSCRMI-MRXNPFEDSA-N 407.515 1.236 30 10 HDEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705822696 NUKOVBXQJYAKQT-QGZVFWFLSA-N 424.505 1.279 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C2CC2)C1 1705925858 VKDCNEMWVCMRBB-BRWVUGGUSA-N 410.540 1.387 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705944834 UIIDKKFETJWOQH-UHFFFAOYSA-N 409.519 1.916 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1710264103 HASJAAPZRLHLBD-KRWDZBQOSA-N 416.574 1.182 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1711338920 OBULWIMRZPGCIP-MOPGFXCFSA-N 424.505 1.585 30 10 HDEE CSC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1712716509 AZENZVWHZMABIM-ZDUSSCGKSA-N 401.496 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722277327 LWNXJUXOGCANLJ-CQSZACIVSA-N 420.473 1.962 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722283212 RDWBFSSGZMBDNF-AWEZNQCLSA-N 420.473 1.962 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722334064 SNSRHSSRSHAFMY-IAGOWNOFSA-N 409.556 1.699 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCc1nnc(C)s1 1722374338 USIHFGGTHSJUMK-FQEVSTJZSA-N 414.535 1.796 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1722458996 ZTLNAFGDVTWTHK-MRXNPFEDSA-N 419.551 1.718 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722504596 GXPDBQLBQHLHGC-NUJGCVRESA-N 411.510 1.679 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722532155 DFGYBSAWZNSJBT-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722550745 PNGSXWGINOSYAM-GOSISDBHSA-N 406.874 1.721 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722699627 LLNZIKZXQZJIIO-UHFFFAOYSA-N 406.531 1.693 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)C1 1722720214 ILTWNMYQLJQPNP-JKSUJKDBSA-N 416.526 1.097 30 10 HDEE CC(C)COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1723524489 LKHXXSDSZUMREV-WMLDXEAASA-N 416.523 1.393 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1723770986 CNFGWDAOPFZZJW-DOTOQJQBSA-N 404.515 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1730873720 GWTLNRPZVGIFCZ-BSDSXHPESA-N 407.515 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740561113 WXQFQIOQTSOXHV-LAUBAEHRSA-N 416.547 1.461 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1740600253 JXUUGEKXEDCDHI-HNNXBMFYSA-N 405.524 1.543 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1740616242 WOQPNLRUOVWDQZ-OAHLLOKOSA-N 414.597 1.318 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(Cn2cccn2)c1)[C@@H]1CCS(=O)(=O)C1 1740617177 NHZSLOLLLPDDNL-HXUWFJFHSA-N 424.530 1.506 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740622373 BZXGSXYOMVCHNR-KRWDZBQOSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1740642450 WSIBMTLBSPBHNP-HSZRJFAPSA-N 403.486 1.307 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CC1 1740681987 ZIBHMPPHETUGRQ-UHFFFAOYSA-N 424.534 1.902 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2c(CC)nn(C)c2OC)CC1 1740693954 RZQQLUXWKMVUEX-UHFFFAOYSA-N 420.521 1.448 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nc(C)c(C)s2)CC1 1740694352 HMGAZLRVHASKHH-MRXNPFEDSA-N 413.551 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2snnc2C)CC1 1740703716 CDXGCSNCSRIFED-UHFFFAOYSA-N 422.518 1.514 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1740841539 PKJOKMNBOITIMF-UHFFFAOYSA-N 421.567 1.770 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740877243 ZGVWQGHRQQXYIY-IAGOWNOFSA-N 411.572 1.856 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740887274 FXTPPXDJBJULQP-VQTJNVASSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1740903114 LPZJOWIRIPXKMX-UHFFFAOYSA-N 403.508 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](CCOC)C1 1740954680 DSGOLMWTDFHHSD-HNNXBMFYSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC1CC(F)(F)C1 1740958704 GFDMWYADZPYBCA-UHFFFAOYSA-N 422.436 1.790 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC2CC2)CC1 1740962536 GXVURJSCWXDPJC-UHFFFAOYSA-N 400.552 1.765 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1748802847 SHYDACSPDGTDFP-INIZCTEOSA-N 419.551 1.331 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748846932 MWYKMXZZVDCTSY-OAQYLSRUSA-N 403.530 1.954 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1749065693 ANTFCZWRTSYSEJ-STXHMFSFSA-N 419.551 1.087 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1749457593 SMSUIIUTZUIWRG-HUUCEWRRSA-N 400.487 1.292 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1)C1CC1 1749508269 MUHDLKNNSXKGDH-NSHDSACASA-N 411.557 1.505 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC2)C1 1749699151 ZYLDESZBLSIJEL-GHTZIAJQSA-N 405.543 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C 1749729682 OEZPYLWOTASFRP-OAHLLOKOSA-N 405.524 1.945 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749741200 SQNLVLDQINILJS-UZLBHIALSA-N 421.567 1.818 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc(C)s1 1750139294 MCBFXONWJKXDHQ-RVSPLBMKSA-N 407.475 1.652 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760189693 LCFSJLDHZZGPGT-BPQIPLTHSA-N 406.552 1.530 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCCN2CC)CC1 1760256464 HGACTYPMUDLLKD-VQTJNVASSA-N 418.586 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1760257764 IQMGOJYLIUYKFK-QGZVFWFLSA-N 414.535 1.063 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1760447255 KUBGMLCWKICMBP-UHFFFAOYSA-N 418.586 1.996 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1760449861 XCZOAWOJPYCADN-GOSISDBHSA-N 413.526 1.935 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCOCC2)C1 1761545300 AQQUFVUOLFXPTC-LJQANCHMSA-N 402.499 1.072 30 10 HDEE Cc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1761790890 JOWOAJNZVOYHMJ-ZDUSSCGKSA-N 423.477 1.657 30 10 HDEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765023540 QJFNAPUPTPVIDX-UHFFFAOYSA-N 412.542 1.538 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1766870562 OSFSLHWWTVZUED-KRWDZBQOSA-N 405.466 1.338 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1768518993 XEFOWKBGFHIJAJ-OALUTQOASA-N 423.521 1.110 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1769217526 WFKYSPUIAGRKFA-KRWDZBQOSA-N 412.494 1.728 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)C 1771298490 NXZCLQVCJHSUJW-FIKGOQFSSA-N 418.542 1.904 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)NCC#CCN2CCOCC2)c1C 1850016263 DEQOWXOYGSAHBP-UHFFFAOYSA-N 421.563 1.040 30 10 HDEE C=CCN1C[C@@H](C(=O)NCc2nc3ccccc3n2CCN2CCOCC2)CC1=O 1850738746 ILHPYZRQJRPNMZ-KRWDZBQOSA-N 411.506 1.019 30 10 HDEE Cc1nc(=NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c(C#N)c[nH]1 1851365060 VPHKVPGGYJUTDG-UHFFFAOYSA-N 416.489 1.855 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)cn4)CC3)nn2)cc1 1851600228 BNIKRZWMVBLNMC-UHFFFAOYSA-N 415.457 1.877 30 10 HDEE N#C[C@H]1CN(C(=O)c2cn3ccc(Cl)c(I)c3n2)CCO1 1852410772 JKIDTYVNDJBOBI-QMMMGPOBSA-N 416.606 1.957 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](N(Cc1c[nH]nc1-c1ccccc1)C(=O)CC#N)CC2 1853591193 OMWKLHMHPTZDRG-GOSISDBHSA-N 402.458 1.970 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccnc(OC)c2)C1=O 1854059996 WXJSSZAJRJFKNB-IRXDYDNUSA-N 400.479 1.330 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854626929 NWUMJTJHFPNDSR-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE Cn1ccc(C(=O)N2CC[C@H](N3CCC(COc4ncccc4C#N)CC3)C2=O)n1 1854866079 UAMDLBWBLXLIBA-SFHVURJKSA-N 408.462 1.219 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nn2C)CCN1CCC#N 1856196962 GMIKUTGCXHQGTQ-CQSZACIVSA-N 409.446 1.445 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2nc3ccccc3o2)C1=O 1856741739 UVYNBBVKCMMZOX-SJORKVTESA-N 410.474 1.607 30 10 HDEE Cn1nnc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)c1C(F)F 1857290108 KJEDKJNLUACKNS-OLZOCXBDSA-N 406.437 1.757 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)c1C 1857305913 KJORLZYPGUWLHF-QGZVFWFLSA-N 408.462 1.561 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc(N(C)C)cc2)cc1 1860722619 OOLNYJARAXQGAU-AWNIVKPZSA-N 415.471 1.798 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)N2C(=O)c3cccnc3C2=O)nc1C 1866240021 ATOMDLLWOZKDLE-SNVBAGLBSA-N 400.416 1.813 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868740498 MMPGXYKSYAPJEF-UHFFFAOYSA-N 407.492 1.126 30 10 HDEE COCCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934095 YTGGECMULUKYRU-KRWDZBQOSA-N 419.478 1.628 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(C(C)=O)CC2)nn1C 1869948201 PGUXTNYUCVWZRM-UHFFFAOYSA-N 414.466 1.066 30 10 HDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711542 NDNCEBAAGCSCRM-UHFFFAOYSA-N 411.510 1.359 30 10 HDEE CCN1CCN(c2nc(=Nc3cccc(C#N)c3)nc(N3CCN(CC)CC3)[nH]2)CC1 1871731253 PXRVCENNEWCODM-UHFFFAOYSA-N 421.553 1.193 30 10 HDEE CN(C)CCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707269 KCHNGZYHXKGKSY-UHFFFAOYSA-N 418.479 1.190 30 10 HDEE CCOC(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(C)c(C(=O)N(C)C)s2)CC1 1872797676 RLBCIPXZTNPBIM-CYBMUJFWSA-N 407.496 1.104 30 10 HDEE COCc1nnc(SCC(=O)OC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874502289 ZZYRTDBKKQZVBO-QGMBQPNBSA-N 410.452 1.598 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCN(C)C)ncnc21 1875231051 XWMYEPPILUZJPP-UHFFFAOYSA-N 404.515 1.326 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)N[C@H](C(=O)O)C(C)(C)S 1882714166 RSMLCOYNNQTLOH-PSASIEDQSA-N 404.514 1.252 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1889620879 OWGAQJNNSNXUDE-PMACEKPBSA-N 413.547 1.581 30 10 HDEE CN(C)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 1890370612 FTZHJPZGQJOGOQ-UHFFFAOYSA-N 403.479 1.599 30 10 HDEE CCOCCS(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186598180 UKNJKVKNZSPCNQ-GFCCVEGCSA-N 404.363 1.801 30 10 HDEE CCCN[C@H](C#CP(C)(C)=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2225388668 JSHNOFXWRAEAOD-CABCVRRESA-N 406.485 1.876 30 10 HDEE CN(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2243425407 KZYBOKWIXKJMPW-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243436469 IISYVEOFLATJKF-NWDGAFQWSA-N 409.292 1.060 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247803464 DUKXTBBQHYCROY-ZHRRBRCNSA-N 408.311 1.713 30 10 HDEE C[C@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248064038 QXVLWCJATOXOLG-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248401747 NPIYAYGBAHOQMR-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE CC1(CN)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267356215 XQCGPZUXOAGCSZ-UHFFFAOYSA-N 406.766 1.670 30 10 HDEE C[C@H](O)[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2281938442 NZZKOTFUXQQFQY-JQWIXIFHSA-N 401.721 1.923 30 10 HDEE COCCSCCNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2282288049 JERNDYTYVAXGNP-UHFFFAOYSA-N 402.347 1.039 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282314301 XMZRHQICBYWONF-VWLOTQADSA-N 422.403 1.362 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CCNCC1 2282325276 BZWYAJVGWLISJR-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](C)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282328116 SOUGPBVYFSQNHN-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE CN(C[C@@H]1CCCO1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501540 YJXPWPSIFDYNDY-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE CC(C)C[C@@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504552 QSEQKCKFMRMJOA-CQSZACIVSA-N 403.375 1.874 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2282573578 BZXKOMXJZLUBMR-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284395486 LUXDGNQNFIKZND-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406396 XVAXYCNVWRUUQR-GFCCVEGCSA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2(CC(=O)O)CCC2)OC1(C)C 2284406914 DYHMKTAJVYIISM-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@@H]1CNC(=O)OC(C)(C)C 2365199551 PFAVEQDCFGJQTD-SPYBWZPUSA-N 402.557 1.457 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2365214186 YEJMWYDQAQJMNX-YZVOILCLSA-N 402.557 1.552 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2373565907 DDPVUAODCYXHDX-AWEZNQCLSA-N 402.513 1.516 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](COC[C@@H](O)CO)OC[C@H](O)CO 100047923 XFDRHYXXXLBRDQ-ZCNNSNEGSA-N 422.559 1.559 30 10 HDEE O=C1C(=NNc2nnc3c(O)nc(O)nc3n2)c2ccccc2N1Cc1ccccc1 254705639 KYYCSBWCLLDBDP-UHFFFAOYSA-N 414.385 1.589 30 10 HDEE COCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 409622666 FOMXONXCOZJGIE-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccoc2)CC1 436270432 AUODPJXGIMDICJ-UHFFFAOYSA-N 411.443 1.688 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 444662788 JHPUJBWFINUDCU-HXUWFJFHSA-N 419.482 1.949 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(Br)cc2C)C1=O 470073877 IAXQTPPUKIUUSO-UHFFFAOYSA-N 408.252 1.693 30 10 HDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 489526543 DHCCJQRZJOMJHK-UHFFFAOYSA-N 404.444 1.849 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)nn1 495029697 WIGXEHGQADDKSZ-HXUWFJFHSA-N 423.473 1.887 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497580621 HMEIILLKWOCJNO-UHFFFAOYSA-N 421.507 1.255 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 506932319 QLYPOSCVBMOJNI-HXUWFJFHSA-N 409.465 1.814 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 521813642 IPFQFMOVOULYLH-UHFFFAOYSA-N 407.414 1.842 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 522534163 VUSSPMDNJVUYEL-OAHLLOKOSA-N 406.511 1.810 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1C 530375655 LHRKWXQOTSVWQC-UHFFFAOYSA-N 416.503 1.831 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)n1 544832334 CGWSGJOAHPLUNN-UHFFFAOYSA-N 422.445 1.660 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCCC(=O)NC)CC1 549694258 RAIKAQHRZYATMB-UHFFFAOYSA-N 415.542 1.837 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNc2nc(C)cc(C#N)n2)c1 553706196 JUJSGPGQTKTGIU-UHFFFAOYSA-N 410.297 2.118 30 10 HDEE COC(=O)COc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 564406983 BLWLEHNESDEPJI-UHFFFAOYSA-N 403.416 1.027 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCC1 577543843 ORFKPTDUYVBGJH-UHFFFAOYSA-N 423.969 1.731 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nn(-c3ccccc3)c3c2CCC3)CC1 604178134 SQNWELKAWDHNIT-UHFFFAOYSA-N 422.533 1.490 30 10 HDEE COC(=O)CN(CC#N)C(=O)CCN1C(=O)COc2cc(Br)ccc21 609991410 AVPQZPGTQWHNNL-UHFFFAOYSA-N 410.224 1.090 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)O)C1 707602427 FFLSQYUSPCLAMN-ZDUSSCGKSA-N 413.290 1.279 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 727120289 DPTDVPOQSWVGBR-LJQANCHMSA-N 416.522 1.699 30 10 HDEE N#CCCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 728870850 AGXMCWICZKJHLR-JOCHJYFZSA-N 403.442 1.717 30 10 HDEE C#CCN(CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 731213188 VMHCSDPIONXETA-MRXNPFEDSA-N 402.438 1.700 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 732141220 BSLVGZLAJJEKRT-OAHLLOKOSA-N 407.492 1.337 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O 732191573 RNVIEALXMAKIFJ-VGOFRKELSA-N 409.490 1.617 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1 742396883 IKJLFXNDNAKRBA-KRWDZBQOSA-N 414.487 1.727 30 10 HDEE CCN1CCC(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742706661 LOHWBJODAZQAJQ-HNNXBMFYSA-N 406.552 1.742 30 10 HDEE C=C(C)CN(CC)C(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746748991 YERBXNRXPIZVJX-HXUWFJFHSA-N 413.474 1.430 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CCN(c2ncccc2C#N)CC1 749868749 CKCNQDVPRCTFHC-HNNXBMFYSA-N 402.499 1.946 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 756654264 JVCYFKMCMTVEHG-ZIAGYGMSSA-N 402.900 1.464 30 10 HDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757262449 YYNFGQGXPYFUOG-WOJBJXKFSA-N 422.437 1.479 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758452684 BTMIJKAKQGPTSR-KBPBESRZSA-N 411.503 1.959 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2C)n1 763790952 WBQROQIQRARFNY-UHFFFAOYSA-N 404.430 1.932 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(S(C)(=O)=O)cs1 766977849 VGQFCUVWQGKCJT-UHFFFAOYSA-N 400.459 1.151 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1)c1cc[nH]n1 772433294 MNJUBSWULFORCX-ZDUSSCGKSA-N 411.422 1.152 30 10 HDEE C#CCN(C(=O)NCc1ccn(-c2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 774195560 KPUFWNPUAIWLDE-KRWDZBQOSA-N 402.476 1.213 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 780858542 KZKYJOPPWJLKFK-LJQANCHMSA-N 417.462 1.654 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1 780905015 VMATVYDBACRVRB-JOCHJYFZSA-N 422.485 1.569 30 10 HDEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1 784126467 YBYYTFRDSIWVED-KRWDZBQOSA-N 423.502 1.840 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)N(CC#N)c1ccccc1)S2(=O)=O 790040901 WZGCJSPQVNHJCH-UHFFFAOYSA-N 415.427 1.405 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cnccn1 791569468 BYGNUYXJKUOVNY-AWEZNQCLSA-N 416.459 1.500 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 792312978 ROGFGCWSJSXNSA-CABCVRRESA-N 401.529 1.464 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)CCCCC1 793207262 CJITYKIGFCSDMA-HNNXBMFYSA-N 410.517 1.868 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(F)c1 798462042 BRWOZFKYJMJQMD-UHFFFAOYSA-N 407.389 1.918 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C/CNC(=O)OC(C)(C)C 807231648 OVGAEZFAWSACHS-GJBLVYBDSA-N 422.507 1.422 30 10 HDEE CCOC(=O)c1cnc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1C 807377698 QEXSTPXGSGFQKF-UHFFFAOYSA-N 419.463 1.054 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc4ccc(O)nc34)CC2)o1 808632859 HSJRWBRSHHODRO-UHFFFAOYSA-N 421.413 1.614 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cc(OC)cc(OC)c3)n2C)n1 809828256 KGSINYUODDUIHY-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3[C@H]3CCCN3C)ccc2c1=O 816750508 NLKBSBHWDHKIFQ-QZTJIDSGSA-N 414.531 1.806 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 858004754 MMLKWXIZTGUMPS-JXMNSVBMSA-N 424.457 1.284 30 10 HDEE CON=Cc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 917989727 NCEUBISJDZGTHS-UHFFFAOYSA-N 415.471 1.870 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1116867672 XMFSWDHRRRLEKI-SFHVURJKSA-N 405.458 1.416 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 1130753382 GBUZKKAOBJOLTL-HOTGVXAUSA-N 406.446 1.702 30 10 HDEE C=CCn1cc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)nn1 1142658799 FAYBJHWWMDQVKL-OAQYLSRUSA-N 408.462 1.469 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1158987138 ULFSIFHKTOTGMX-INIZCTEOSA-N 410.467 1.149 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OCC 1190404039 WNHBLCWWDJWOBI-NSHDSACASA-N 411.448 1.859 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cc1 1193997896 IQNYKSZYKYQAMZ-LJQANCHMSA-N 407.536 1.369 30 10 HDEE COCC(C)(C)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1195333280 HYSIVVOUQAIIQQ-GOSISDBHSA-N 419.595 1.500 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)C1 1213680299 NZLCCHADCJHRGX-CQSZACIVSA-N 413.927 1.426 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2F)C2CCCC2)CC1 1223365724 PMCDLPYUNHQJPQ-IBGZPJMESA-N 422.526 1.852 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)nn1 1223531623 ZPERGTNHXNIGNT-MRXNPFEDSA-N 400.483 1.555 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC(C)(C)c3ccccc32)CC1 1224247634 UTDRSFIKDVXWRF-KRWDZBQOSA-N 418.563 1.636 30 10 HDEE C=CCN1CCC(NC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CC1 1226842901 ADKVRJUUJSYQAI-HSZRJFAPSA-N 412.534 1.850 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1251789875 NIKPBPVOCLHGBL-UFOSLELVSA-N 405.499 1.095 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@@H](C)C4)O3)CC2)c1C#N 1255569038 PEEXGGJTLKRYKM-RFUYNDQBSA-N 405.524 1.881 30 10 HDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 1261204885 IIXBHRPZTXOZRJ-AZUAARDMSA-N 416.478 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286284939 HFVARSPSAKUPEB-OAHLLOKOSA-N 409.494 1.986 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCN(C)CCOC 1286403293 JEVROIUYTWJDJA-UHFFFAOYSA-N 419.327 1.687 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1 1286466068 VQWUFPVLYJVVQV-AWEZNQCLSA-N 422.411 1.777 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cccs1 1286467359 OQTMLUQURJSIPD-OAHLLOKOSA-N 403.508 1.360 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1286470703 BNFQELWLFHIMPH-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCSC2(C)C)CC1 1286480236 SVFMFDGWQWBKEE-HOTGVXAUSA-N 402.568 1.516 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[C@@H]2COCCO2)CC1 1286483210 BYWDSOWLPNQOID-OAQYLSRUSA-N 409.534 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(F)(F)F)CC1 1286491009 AQFNAMORIBMZAF-UHFFFAOYSA-N 406.412 1.792 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)CC1 1286567343 UWMOZJOEXJSGEF-MJGOQNOKSA-N 401.536 1.814 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1286582273 VJAAAYBRBOLORS-INIZCTEOSA-N 423.583 1.889 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1286711202 IYVURKZPBQWZMR-INIZCTEOSA-N 405.524 1.804 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)sc2n(C)c1=O 1289350305 TZSJIAUBFPVUMX-HNNXBMFYSA-N 410.455 1.384 30 10 HDEE C[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291133307 NPCXKQPWENFFBS-NHWLHPCLSA-N 400.483 1.687 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)Cc2cccc(F)c2)ccc1F 1298573507 ZGHDEZKOUAGOHF-MRXNPFEDSA-N 410.442 1.763 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1299206021 FVGDIWKOSRVLFW-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1300380975 KWUQZFAMUWWHMC-IRXDYDNUSA-N 408.572 1.366 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300428348 FJYHTTSGSZNKDV-HNNXBMFYSA-N 404.515 1.839 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1300455502 LNTWBEFPEPGISR-UHFFFAOYSA-N 407.478 1.223 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](SC)C(C)(C)C 1300509441 LNJQULFUPMVGMS-GJZGRUSLSA-N 411.597 1.739 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccc3)CC2)CC1 1300680792 FAZCTQUSJUMJJU-UHFFFAOYSA-N 406.534 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1300874757 NSUBFEDTXKEUDD-WMZOPIPTSA-N 418.542 1.456 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCn2nccc2C1 1301150181 QVTHNLPCLZASFW-UHFFFAOYSA-N 401.492 1.524 30 10 HDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1301257490 AHQYHZOAGXPZQC-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1301270190 DJDLXHLYHWTFDU-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2CCCC[C@@H]2C1 1301506535 MKZICSFMAKINBE-GOSISDBHSA-N 412.513 1.985 30 10 HDEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301529091 IIJUDUBLXLPIOV-UHFFFAOYSA-N 424.549 1.979 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 1301957494 FNXBSOUKECDHPZ-KGLIPLIRSA-N 423.963 1.810 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2COCCO2)CCOC1 1303490630 VFFMMNNBQAIZMC-YLJYHZDGSA-N 405.499 1.474 30 10 HDEE CC(C)OCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1303538395 FSRJVHDBXFCZMD-MRXNPFEDSA-N 413.482 1.859 30 10 HDEE Cc1oc(NC(=O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c(C#N)c1C 1308062852 XAPVLCZPJFJUOE-ZACQAIPSSA-N 402.495 1.838 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1313096901 HHYPPZNWKBIAEM-CABCVRRESA-N 409.483 1.076 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(CC)C2CC2)CCOC1 1314110738 AJGOISBABKSNKN-UXHICEINSA-N 406.506 1.856 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1)[C@@H]1CCOC1 1314684003 ZFSLAFZEWXETNX-QGZVFWFLSA-N 406.446 1.951 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)C1 1316526645 AFNKMYVHLBOADI-QMTMVMCOSA-N 406.462 1.114 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@@H]2COCCO2)CCO1 1316540307 JFPJHNGMELNJBX-IAGOWNOFSA-N 401.442 1.542 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 1321027450 BTHQGZWLNYJQHI-ISLYRVAYSA-N 414.428 1.824 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1 1323974525 ILTDPDKFPKMCJD-QRWLVFNGSA-N 408.499 1.542 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCn2c(CCc3ccccc3)nnc2C1 1332714347 CJBGLWYUZXGRBZ-DQRAZIAOSA-N 420.473 1.322 30 10 HDEE CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN(C)C 1335972659 CFYZULAPEBJKSL-HKUYNNGSSA-N 413.522 1.120 30 10 HDEE C[C@@H](C(=O)Nc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1)n1cccn1 1339495363 FKHSOXVMPZZQAX-MPHHAOFMSA-N 422.445 1.938 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCOCC1 1347338863 VPGXALVQAUFNGO-WKULXVSPSA-N 403.523 1.509 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](OCC)[C@@H]2CCOC2)c1 1351602144 RPOGTVQZGQUZCO-WIYYLYMNSA-N 400.475 1.301 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C)c3c2CCCC3)c1 1356458370 UORQDUDBUYWMOX-UHFFFAOYSA-N 406.486 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(NC(C)=O)nc1 1358874209 UQCNXPREWDEZGK-GJZGRUSLSA-N 400.483 1.862 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358955008 CBNVWRPTUUOERN-CABCVRRESA-N 407.540 1.089 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1ccc2c(c1)OCCO2 1358976012 NBTFNAOGEQSOOX-UHFFFAOYSA-N 402.458 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1358981218 BDNIXXGRIPVSQV-CVDCTZTESA-N 410.566 1.984 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCOCC2)C1 1359318979 QAJOIJMCTSKLNO-PKOBYXMFSA-N 415.542 1.428 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H](C)C1CCC1 1359332098 PFLYQCHFAMAFOX-GDBMZVCRSA-N 409.556 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)CC1COC(C)(C)OC1 1359334923 UYLBFOLZASAXAU-UHFFFAOYSA-N 412.556 1.667 30 10 HDEE CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359460388 MXBCEVRCROEGLU-NRFANRHFSA-N 421.549 1.880 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cnn(C(C)(C)C)c2I)CC1 1435782830 NCMHDPBUCWBXIN-UHFFFAOYSA-N 415.279 1.960 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 1455940061 GLEAICSEPQRMIZ-UHFFFAOYSA-N 404.264 1.259 30 10 HDEE C#CCN(C(=O)C(F)(F)c1ncccc1Br)[C@H]1CCS(=O)(=O)C1 1456087449 PVKIRUBDPHJVHO-JTQLQIEISA-N 407.236 1.585 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1459671560 OFLBYFYZCPOFDP-CQSZACIVSA-N 402.900 1.773 30 10 HDEE C[C@H](C(=O)N(CCC#N)CCCN(C)C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1464477907 TZWLFBYDKYFUGW-MRXNPFEDSA-N 409.531 1.148 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1464582105 OZUBVZGQFYOBTE-MDZDMXLPSA-N 417.443 1.737 30 10 HDEE C#CCOc1ccccc1NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1466210265 ZYJJNQRPSIWJLP-UHFFFAOYSA-N 408.458 1.595 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2COCc2ccccc2)CC1 1467815457 YTOZQPYKVXWUCR-UHFFFAOYSA-N 405.498 1.911 30 10 HDEE C#CC1(O)CN(C(=O)N[C@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)C1 1469080350 HBIUFCBBDRSSBM-GOSISDBHSA-N 402.447 1.708 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C#N)ccc1F 1469107986 SUMAGBHSPADRRV-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)Oc2ccccc2C(C)C)CC1 1471450696 HCCASTIAVLWOEF-SFHVURJKSA-N 407.536 1.579 30 10 HDEE N#Cc1cncc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1471965949 JGVMJMOTTGMXJO-UHFFFAOYSA-N 416.459 1.099 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1472368695 RXRUVFRSZLBHDL-AEGPPILISA-N 422.507 1.397 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 1475242163 HHABMDBGYYDCRS-PWSUYJOCSA-N 400.254 1.440 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)NCC3(C#N)CCOCC3)C2)C1 1479558588 AXJGEHLDFVFPOA-FQEVSTJZSA-N 408.499 1.728 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1493687455 CGLKATIAYRDNTJ-GQIGUUNPSA-N 405.522 1.979 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1507708093 CNJGCIOYHRLKDI-UHFFFAOYSA-N 405.462 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(C)c1 1507710386 OPWJGSDLPHJKLM-UHFFFAOYSA-N 421.505 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 1507722483 YNZCWBGNBKRIHL-MRXNPFEDSA-N 414.485 1.401 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507874021 OMMAMYXTNTXUTL-HZPDHXFCSA-N 408.934 1.625 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 1508148333 RKROFJXIWYURND-CVEARBPZSA-N 412.556 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1C(C)(C)C 1508150081 ZIQACFYLFXRKFO-HNAYVOBHSA-N 412.556 1.561 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)nn1 1517016733 JXVYDASEQAETNP-NRFANRHFSA-N 410.478 1.984 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1518631243 DDRUKBYVZFXWIW-CSODHUTKSA-N 416.526 1.696 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1COc2ccccc2O1 1519165883 QWDIMXTWRJRXSI-IAGOWNOFSA-N 413.478 1.988 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C(N)=O)nc2)CCO1 1521128566 DSVZRKHUSATTMS-CQSZACIVSA-N 423.864 1.869 30 10 HDEE CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1C#N 1521493939 AILGLRMSJFGPFN-GDBMZVCRSA-N 406.508 1.652 30 10 HDEE N#Cc1ccc(OC(=O)[C@@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)c(I)c1 1524881227 CIGRDDGEWRMACC-DJQAVVSRSA-N 408.195 1.983 30 10 HDEE C#Cc1ccc([C@H](OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(F)(F)F)cc1 1525856666 WIVDQRBPZFWRSS-HNNXBMFYSA-N 420.347 1.262 30 10 HDEE CO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C 1526128624 AWYWNXHTQARUAT-HNAYVOBHSA-N 405.520 1.842 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1538975926 FTOOAGOZVKLTCD-DBVUQKKJSA-N 407.584 1.825 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539016803 VQIHGGGWWCKXIQ-HZPDHXFCSA-N 414.510 1.495 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C1CC1 1539029951 NCMCSUPXMCVIRZ-ZDUSSCGKSA-N 400.508 1.254 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1539112419 PVAPNIOZYQFHMP-UHFFFAOYSA-N 419.489 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1ncn(C)n1 1539251573 JJNKBFIOSORHBL-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1539265458 GEIWYCCIUPRDGE-HNNXBMFYSA-N 418.548 1.046 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2F)CC1 1539445967 MDGKKAGBBHTXBS-GOSISDBHSA-N 412.469 1.180 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539512616 FMNXAYWSJCJCBC-UHFFFAOYSA-N 422.518 1.293 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539742292 AHBQLIKTMQUJAD-HNNXBMFYSA-N 401.471 1.605 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)C1 1540033313 DVWCDXHSCDMADU-UHFFFAOYSA-N 409.450 1.123 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1540073159 OQBWPLDPZFBMPO-MRXNPFEDSA-N 407.496 1.352 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2sccc2C1 1540861986 NULYJYLUTNSAKW-UHFFFAOYSA-N 400.508 1.441 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(=O)OC)C1 1540867801 IICFZUWOELFDGV-CYBMUJFWSA-N 403.870 1.900 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)(F)F)C1 1540894421 XOSKRAZJLSYUNG-OAHLLOKOSA-N 424.427 1.724 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1541806797 SRKHRBDPTWLGBT-HZPDHXFCSA-N 402.499 1.682 30 10 HDEE C[C@]1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCNC1=O 1543137755 NGXSKBBGEKIICJ-YJBOKZPZSA-N 405.296 1.684 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1544555833 ZBOXRQWXODKONR-HNNXBMFYSA-N 414.535 1.599 30 10 HDEE CC(C)COC[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1545570588 PAMKRADKURFJJG-CXIVCQEWSA-N 409.527 1.923 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1546545809 LLPDKZOVCQLHLB-GOSISDBHSA-N 410.526 1.154 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCSC2)CCO1 1555994041 FECZVRHDGRCLDQ-HNAYVOBHSA-N 403.483 1.605 30 10 HDEE C=CCCn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)nn1 1556512533 IGWVPOOSAJQSRP-HNNXBMFYSA-N 407.471 1.479 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)c1 1558546647 PGAIFMNEPYIBAO-UHFFFAOYSA-N 412.467 1.788 30 10 HDEE Cn1c(=O)[nH]c(N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c1=O 1559201621 CQDFPCJXPVDKBV-AEFFLSMTSA-N 423.473 1.477 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OC 1561829669 RWXLJAXBJQSTJC-NSHDSACASA-N 418.269 1.817 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1561868113 KBJXMOYAUNLOKW-AWEZNQCLSA-N 408.442 1.903 30 10 HDEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1585131971 GOLZNLCHHKYESM-DOXZYTNZSA-N 421.544 1.452 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1588045090 GVLCFEKXQQWMNG-QGZVFWFLSA-N 417.535 1.782 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1588083680 IFBREOZHKXAGDN-HTAPYJJXSA-N 411.481 1.697 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nccs2)CC1 1588750870 GNAGIJABMFMLAN-IBGZPJMESA-N 402.524 1.190 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1588811325 GMFOUKDJBOJNSS-SFHVURJKSA-N 416.526 1.016 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cccc(C)c2)CC1 1588835514 AAYOZMNCKSGLCR-UHFFFAOYSA-N 408.550 1.970 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1588929549 CQTYKFJFOSZPFS-PKOBYXMFSA-N 414.554 1.090 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1589060644 VSEXNYLIEVVGPH-HNNXBMFYSA-N 400.570 1.409 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1589233703 LFYXFFOQILPSDV-HXUWFJFHSA-N 421.567 1.606 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1593887195 XRKGKJAUBPRYPU-CQSZACIVSA-N 418.947 1.565 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC)C1CC1 1595054690 PBZMFSWRZWGFBW-GDBMZVCRSA-N 413.544 1.048 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1595405112 CRXQTGRVOLYMCC-CABCVRRESA-N 406.512 1.517 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(C(=O)NCCCO)CC1 1595741426 BNEKRABWHDXXEC-UHFFFAOYSA-N 424.295 1.437 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)C1 1596279642 LMHSSVSDZGFXCP-OAHLLOKOSA-N 419.279 1.810 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@H](c4ccnn4C)C3)ccc2c1=O 1598154388 BJNUWNBLZGXPAL-QGZVFWFLSA-N 411.487 1.818 30 10 HDEE Cn1cnnc1[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1598414970 VFODRMGGVOLOGM-HOTGVXAUSA-N 407.434 1.255 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCOC1 1607762288 RXKTYKQUAGTVEG-IJEWVQPXSA-N 419.865 1.506 30 10 HDEE Cc1nccn1CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1612452950 YTBPNTNPYCEVAK-WOJBJXKFSA-N 417.489 1.966 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 1618252789 XETXLYPLXALLOE-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620355057 NUTNILLQKFYVJU-ZNMIVQPWSA-N 404.858 1.262 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(C)[C@H](CO)C2)cc1 1620480381 MSHBLENXUJECAI-SFHVURJKSA-N 411.506 1.521 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 1623081616 SQCUMTGQKZBIGB-FAGJFJLWSA-N 424.494 1.684 30 10 HDEE O=C(C#Cc1cccs1)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1624613661 PFRSVEAIOSSFBV-UHFFFAOYSA-N 404.513 1.578 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CCC[C@@H]3CC)CC1 1627969305 ZIXVNXOKHUXIHD-ZDUSSCGKSA-N 411.553 1.590 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc(C)c1C#N 1629870329 JKQFXDULPRFHFX-CALCHBBNSA-N 420.535 1.287 30 10 HDEE N#C[C@]1(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)C[C@H]2CC[C@H]1C2 1630550189 DSHXONMCCGSBEN-IRFCIJBXSA-N 401.532 1.863 30 10 HDEE Cc1cc2[nH]nc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2c(=O)n1C 1630675865 AVFDUOAJBYCWQI-UHFFFAOYSA-N 403.395 1.259 30 10 HDEE CN(C)C(=O)NCCN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1631844606 SCMGLKPDXYSISL-UHFFFAOYSA-N 408.300 1.487 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(C)Oc3ccccc3NC2=O)C1 1632533165 OHTPHQFUZBYYNJ-KBARZSOFSA-N 400.435 1.651 30 10 HDEE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1633634037 QLGHMKOYOORFOK-UONOGXRCSA-N 421.339 1.670 30 10 HDEE CC[C@H]1Cc2c(Br)cccc2CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1634109514 DBKMTKCTFJRGTC-ZDUSSCGKSA-N 417.263 1.947 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(c2nn[nH]n2)CCC1 1637113844 WPGIWUBUVZNPTG-UHFFFAOYSA-N 421.255 1.807 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CC[C@@H](N(C)C)C[C@H]3C2)s1 1637381545 VRWZRJUFCXKEOV-HRCADAONSA-N 411.593 1.944 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1637390519 VWTRZYKWWNYFDD-DLBZAZTESA-N 424.542 1.620 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)Nc2ncccc2C)c1 1638581972 ANDPWFMLOADULD-UHFFFAOYSA-N 400.460 1.060 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1=O 1639962700 PNXKEJOAMTUINI-IBGZPJMESA-N 406.442 1.247 30 10 HDEE Cn1cc(I)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)n1 1642543598 VZDJORBDZNLLKT-UHFFFAOYSA-N 407.215 1.833 30 10 HDEE O=C(CN1CCN(Cc2cn[nH]c2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1643486609 NMLFZOSLQANUDB-UHFFFAOYSA-N 405.424 1.714 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCOc2cc(C)ccc2C)CC1 1644285326 NLKXVKZEYQTDEQ-UHFFFAOYSA-N 407.536 1.464 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1644465476 HZOOIQIBHVCIQI-CQSZACIVSA-N 417.443 1.900 30 10 HDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1645780967 BDYGIVNHJKNQPG-UHFFFAOYSA-N 403.426 1.198 30 10 HDEE Cn1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c(I)n1 1648293819 WTSWNVYIPQMXOY-UHFFFAOYSA-N 413.244 1.739 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H]4CCCN4C[C@@H]3CO)ccc2c1=O 1651164381 FFTODZSVESVDBG-LSDHHAIUSA-N 400.504 1.152 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1651763409 DYCNMPKTCAYSSC-SJLPKXTDSA-N 408.520 1.083 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1654229468 NQAWKTAAVWLRFS-JXFKEZNVSA-N 420.535 1.111 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 1654936655 XIPDSVDSOXGOGB-IBGZPJMESA-N 414.487 1.526 30 10 HDEE N#C[C@]12CN(CC3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1654974613 GALHVNIAIHFVIW-PZJWPPBQSA-N 417.531 1.905 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1=O 1655136865 RHAIAEXYFNISML-GFCCVEGCSA-N 405.398 1.595 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(-c3ccccc3Cl)on2)c1=O 1656136877 GHMNBHKYYAMIOV-UHFFFAOYSA-N 400.822 1.900 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 1656298616 MILLABUQDMHMPV-LJQANCHMSA-N 402.926 1.312 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C(=O)OC 1656493384 NEQJCJBEBAQYIY-ARFHVFGLSA-N 417.462 1.224 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1 1660751548 NZCRYFDBKYPZFM-UHFFFAOYSA-N 403.548 1.671 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 1671458786 GNBTVFBICSDFOP-PMACEKPBSA-N 419.547 1.662 30 10 HDEE COc1ccc(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1C#N 1674297845 APKBGJYXBQIHSU-UHFFFAOYSA-N 418.479 1.275 30 10 HDEE C#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1676236977 WGVGLRXIVCYUSO-UHFFFAOYSA-N 413.499 1.688 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCO2 1684052074 DIDYOPRNOZDMIM-BATSVXPKSA-N 413.478 1.286 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1689849328 KJHGUIBTFPQNIR-PXNSSMCTSA-N 422.533 1.568 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1689926628 UYQQFAFFHWTYLV-MRXNPFEDSA-N 405.462 1.722 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689998047 ALDUSONFVMTYLX-HZPDHXFCSA-N 405.480 1.101 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCOCC1 1690019881 TWHGDVDINURRRS-JOCHJYFZSA-N 419.529 1.735 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCN(C)S(=O)(=O)CC 1690056493 VDISUHJVUPTWQT-QGZVFWFLSA-N 407.540 1.264 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1690187928 AGTDWKSRUGVFOS-HTAPYJJXSA-N 423.521 1.638 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690299255 LBUIYRHEUVOYBF-QZTJIDSGSA-N 402.543 1.780 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690419062 GNMCWXHHUPFDCX-OAQYLSRUSA-N 400.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690667250 WUTDBLSFLZTUMB-KBPBESRZSA-N 423.514 1.644 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)C1 1690685762 CQIVMHBXRBCUNM-CJNGLKHVSA-N 424.502 1.252 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690719040 GEMNWZFGDZSZGK-IBGZPJMESA-N 421.523 1.410 30 10 HDEE CC[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694442030 LQZGVQJEUVIXKK-UITZCYDRSA-N 424.509 1.831 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1696061824 YHSAOIBXBPPFDZ-CEXWTWQISA-N 409.462 1.178 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1=O 1698171624 RPBXLDKQZVYPNN-IAGOWNOFSA-N 420.514 1.133 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)C[C@@H]1O 1698440529 DQKDCYCNASRXKR-APWZRJJASA-N 411.506 1.955 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705488549 CGZQYUFDTAOAFU-OAHLLOKOSA-N 410.503 1.786 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705533478 NHVZRCRGNRACEP-ROUUACIJSA-N 401.511 1.761 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCN(CC)CCC(F)(F)F 1705556898 MTXOASJVNJCCHI-UHFFFAOYSA-N 400.449 1.744 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1705570210 LLALEZINFVSCLA-QGZVFWFLSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCCn1cnnn1 1705585509 FUBJLLHGZPHRHJ-UHFFFAOYSA-N 404.478 1.624 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN2CCC(O)CC2)CC1 1705635661 GEGBOFDNLKRDJZ-UHFFFAOYSA-N 412.538 1.449 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705900441 DJEYOHJHGKCIEP-HZPDHXFCSA-N 424.505 1.969 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CCN1CCOCC1 1705905053 HVEKSPPQSOOSPE-UHFFFAOYSA-N 412.538 1.248 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708073047 JWYSGHFCMJVHFW-RMYFCYLKSA-N 410.482 1.441 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1709829054 CFOACPBFFBLWKB-ROUUACIJSA-N 421.505 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1722276221 HUQQRBRGLXOQRA-GVDBMIGSSA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1722345139 NVXICHMQWJZBRT-INIZCTEOSA-N 416.551 1.016 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1722351991 MRNQMTLRBQPSLW-CQSZACIVSA-N 408.911 1.982 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722368965 UTMJPHDIAFTHLL-GOSISDBHSA-N 416.551 1.768 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1722371407 WDYZOJXIURNCCI-DLBZAZTESA-N 423.583 1.344 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc2O1 1722373268 GNRWGGGJNVQYPO-MBSDFSHPSA-N 422.485 1.843 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1 1722378310 DEYSALJGMJSTNS-UHFFFAOYSA-N 418.448 1.582 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1722393625 GNDDWIVTJVHANX-VZCXRCSSSA-N 415.457 1.329 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1nnc2n1CCCCC2 1722424995 IDIQQEKBFMLBEU-UHFFFAOYSA-N 421.509 1.382 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722510595 SZWHEDULRLHVDG-RXVVDRJESA-N 418.586 1.812 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722726244 ZTECHNAXSAAMOH-LPHOPBHVSA-N 412.556 1.777 30 10 HDEE CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1723113695 BRXPBSQUAUGWKK-MOPGFXCFSA-N 411.510 1.426 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOCC1CC1 1730957468 WXZOLTHGOCNOHC-KSZLIROESA-N 405.499 1.548 30 10 HDEE C=CCn1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)nn1 1736417563 DHRGYMSHWGRQCV-QLCXLMDBSA-N 401.511 1.494 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1740580663 FRKPNYZYRATRRW-ZDUSSCGKSA-N 410.931 1.987 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740608443 BFLRCDUMCOKRNJ-AEFFLSMTSA-N 419.526 1.692 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740629072 ZUUDGXGACCWGFZ-IAGOWNOFSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C(C)C 1740635938 SHXYLEXXOLNRJG-OAQYLSRUSA-N 404.478 1.401 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCOC)cc1 1740636831 FLWNTIBAIBOPJF-UHFFFAOYSA-N 404.474 1.825 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ncn(-c2ccccc2)n1 1740637495 CPWBBQVHLIKKHE-GOSISDBHSA-N 401.474 1.874 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740722843 GDXKFJSCJKPOKE-JBYIUTFZSA-N 416.570 1.908 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(N)=O)C1 1740751033 HBBGSYBHXOVDRI-MLHJIOFPSA-N 421.542 1.685 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1740772173 GICOHCOJBSPNQO-HMWBCQRISA-N 413.482 1.158 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1740788025 OGSQAUBNJJFJED-JKSUJKDBSA-N 415.560 1.342 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)CC)CC1 1740837133 HOGBRUIPZAPYCS-UHFFFAOYSA-N 404.540 1.990 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2cncn2)nc1 1740930798 PUAUANNCPYYKGW-MRXNPFEDSA-N 405.466 1.432 30 10 HDEE C=CCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740949830 ULYRHBPOVVQMJB-HRAATJIYSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740953373 DDCMKKYMZJTWOT-XEWABKELSA-N 411.506 1.853 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1ccccc1 1740958589 REZDTJQSXOMUSR-ROUUACIJSA-N 408.506 1.743 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1741699295 OGFZFQWHVZFQHN-NRFANRHFSA-N 407.478 1.058 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCS1 1743319425 IVYCDKSIHKZZNZ-GDBMZVCRSA-N 412.519 1.949 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1748751810 MOSCBEKNTJRADR-CYBMUJFWSA-N 405.471 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCOC1 1748888935 BMMVQFWISDAUSQ-QFIPXVFZSA-N 408.458 1.331 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749450627 NPCHYRROZXLGPX-UWJYYQICSA-N 421.542 1.783 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1749459908 VPVUNRTVHJATIH-KRWDZBQOSA-N 402.499 1.732 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1749671737 HLUCYUHFAJSGPJ-HNNXBMFYSA-N 414.485 1.402 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)C1 1749707080 ACWOXLJXKPXANF-ZACQAIPSSA-N 410.540 1.736 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1749728255 DROJMVYCLRVFPN-SFHVURJKSA-N 412.494 1.286 30 10 HDEE Cc1csc(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1751746003 PXSKWHAGWMARFG-LSDHHAIUSA-N 415.523 1.746 30 10 HDEE Cc1nccn1CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1751805755 KCJHMVMXPUKJOO-IBGZPJMESA-N 406.494 1.978 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760113050 PJEKXMCULBUQRZ-GBESFXJTSA-N 416.570 1.573 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1760159854 QUEYMBPWARWMGU-UHFFFAOYSA-N 400.527 1.260 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1ccn(C)n1 1760161057 WEFWHOFGYNKAOZ-UHFFFAOYSA-N 411.897 1.907 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1760175910 VBYVJLGBGLCEDI-QGZVFWFLSA-N 402.520 1.809 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1760183811 UEWKTNCVCYRUKY-GDBMZVCRSA-N 421.523 1.601 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760225040 FXMRJPCPMRUZFO-ZDUSSCGKSA-N 411.478 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS2)CC1 1760269052 WMZKKWTZPAMAHX-HOTGVXAUSA-N 416.551 1.091 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1760273944 CQAJCEXCVNHTCT-UHFFFAOYSA-N 418.611 1.724 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1760496736 FCJOKIYXZYIVJG-UHFFFAOYSA-N 402.543 1.690 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1763141664 GGRNLRNVLDMECM-QZTJIDSGSA-N 410.478 1.735 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767804930 JVPQTNLPOCBZSF-UHFFFAOYSA-N 418.461 1.320 30 10 HDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1768303804 AVBXHUIMJKOANN-UKRRQHHQSA-N 416.869 1.668 30 10 HDEE COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1769859305 BMRCRGLCDDCRKX-QGZVFWFLSA-N 409.494 1.464 30 10 HDEE COCCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1770144804 DCXWNIAGSUNGCV-HNNXBMFYSA-N 406.874 1.775 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1770862219 WCSGGJAUHNRAKO-QFIPXVFZSA-N 408.506 1.666 30 10 HDEE COCCN(C)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1771085192 WBULTSZLSJCUII-WOJBJXKFSA-N 424.521 1.339 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789969 YOMACDLVRIVQAG-UHFFFAOYSA-N 404.400 1.118 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)[C@H]1CCN(C)C1=O 1849512645 HDOYHWIWWYXKRX-IRXDYDNUSA-N 409.483 1.224 30 10 HDEE C=CCN1C[C@@H](C(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)CC1=O 1850063787 LNABAHUUEYRGDS-INIZCTEOSA-N 402.491 1.903 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3nncc(-c4ccccc4)c3C#N)C2)cc1=O 1851375679 ZVGSTPUJDLRPPJ-INIZCTEOSA-N 415.457 1.964 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](C(=O)OCC2CCN(c3ccc(C#N)cc3)CC2)C1 1852703672 MTDCKXZVFPHAHQ-GOSISDBHSA-N 405.520 1.989 30 10 HDEE Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)CN1CCN(CCC#N)CC1 1853356756 PMHPAJJQIAXRFA-UHFFFAOYSA-N 410.522 1.711 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(Cl)ccn2)C1=O 1854100244 PKCIVWJVOLNKCK-SJORKVTESA-N 404.898 1.975 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2ccc(F)cc2)C1=O 1854131913 UYWZPPCOQBDFDQ-OALUTQOASA-N 401.482 1.995 30 10 HDEE CN(Cc1nc2ccccc2n1C)C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1854209221 FRUKSKLJDZRQAU-HNNXBMFYSA-N 402.458 1.961 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1854313894 YKUPVZRBMQNJGZ-YJBOKZPZSA-N 423.510 1.614 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC(Cn4nccn4)CC3)CCC2=O)c1 1854758284 FCJYMSNKPYYMGG-IBGZPJMESA-N 406.490 1.941 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)C1 1855121797 FDWGCTAZOJVZHK-QAPCUYQASA-N 410.474 1.059 30 10 HDEE Cc1cc2ncc3c(n2n1)CCN([C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1=O)C3 1855471534 RHLBCNYGWIXOHL-LJQANCHMSA-N 400.442 1.709 30 10 HDEE CCOCC(=O)N1CCC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1855573816 GSMIGRZAHUTSHM-GOSISDBHSA-N 400.479 1.598 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1c2c(nn1C)CCCC2 1855689866 OUDXRXIKHBQEPO-MRXNPFEDSA-N 405.502 1.973 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCCOC2)CC1 1855845798 BONFMMBEKJJUEF-OAHLLOKOSA-N 417.487 1.453 30 10 HDEE COC1CCN(C2CN(C[C@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1856941625 PWALPWRPASOGPX-LJQANCHMSA-N 410.518 1.271 30 10 HDEE Cc1cccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857026886 RECNPHJVOAQLMX-IBGZPJMESA-N 417.531 1.868 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)c1 1857211965 DVKXUYLOEWOSHV-KRWDZBQOSA-N 400.479 1.721 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc3c(=O)n(C)n(C)c3c2)CCN1Cc1ccc(C#N)s1 1857504930 JCGYFHVFHVWZEG-CYBMUJFWSA-N 423.498 1.683 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCNC(C)=O 1870577703 DYCQEJZOJQKGSL-UHFFFAOYSA-N 418.523 1.001 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871589111 INBSVNDZKPQLKW-UHFFFAOYSA-N 409.494 1.540 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)CC1=O 1872918353 ZMFXFDYCHWJKTG-KRWDZBQOSA-N 412.490 1.857 30 10 HDEE CCN(CC)CC#CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1CCOC 1890396085 LAVITTZORHPYMS-UHFFFAOYSA-N 409.490 1.371 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)N3CC[C@@H](O)C3)c2)OC1(C)C 1914063350 WAMCRDPURQHOOY-GFCCVEGCSA-N 402.709 1.363 30 10 HDEE CC#CC[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984841270 XKZRHNTUHBBWTH-MSOLQXFVSA-N 417.506 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@@H](C#N)C2)CCN(Cc2ccccc2)C1 1985195614 GNSGCSPJZREZPW-AVRDEDQJSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C[C@H](O)C1 2018050592 NLKRVGHXALQOJE-OOFYPUDQSA-N 422.331 1.955 30 10 HDEE CC(C)OCCCN=C(NC[C@H]1COCCO1)N1CCN(c2ccccn2)CC1 2087917272 IJHQURPYFYYIMI-IBGZPJMESA-N 405.543 1.380 30 10 HDEE O=C1c2ccccc2C(=O)N1CCc1nccn1Cc1cc(C#CCCO)sn1 2139789980 HXMBGRPTVZKMHB-UHFFFAOYSA-N 406.467 1.961 30 10 HDEE N#Cc1cc(F)cc(S(=O)(=O)N=c2cnc(I)c[nH]2)c1 2145529601 VEYKOJDBAOHKLT-UHFFFAOYSA-N 404.164 1.315 30 10 HDEE Cn1ncc(Cn2cc(Br)cc(C(N)=NO)c2=O)c1Br 2173256809 XWRNKVRUNVBRNY-UHFFFAOYSA-N 405.050 1.250 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)N1CCC[C@@H](C#N)C1 2174786686 MBWZBCSEVYTLJY-OWCLPIDISA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)ONC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180136725 DBEOUFCIBRECSX-CABCVRRESA-N 402.513 1.506 30 10 HDEE C#CCOCCOCCNC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 2189866442 WACRIQXEPSJSMW-UHFFFAOYSA-N 400.541 1.902 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)C1 2243277875 DPKRAJBDWOXGQT-CELYABABSA-N 423.510 1.701 30 10 HDEE COC(=O)[C@H](CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243667484 IAEQDICATNUJOW-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@H](N)C#Cc1ccc(Br)cc1 2264171293 AKBZMQMLGXKYTN-IIDMSEBBSA-N 411.296 1.783 30 10 HDEE CN(Cc1cnns1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716444 NDCIFXRGPDNMCK-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCNC[C@H]3C(=O)O)sc2Cl)OC1(C)C 2281971714 JFQFLGJVHPATPF-JTQLQIEISA-N 400.693 1.199 30 10 HDEE Cc1nc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282026571 DVXMOTJEBGMRQK-LLVKDONJSA-N 400.331 1.058 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282058744 YXIGXGKWDMKLTM-LLVKDONJSA-N 402.347 1.057 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@@H](C)CNC[C@H]1C 2282311085 CTJHJQQUYHQKEP-TXEJJXNPSA-N 400.375 1.727 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](F)C1 2282325682 IHPZKYIOIXUZDU-RYUDHWBXSA-N 405.322 1.449 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3C[P@](C)(=O)C[C@H]3O)c2)OC1(C)C 2282333991 VYFGBHRJHZUODL-FLXNLOQFSA-N 421.286 1.062 30 10 HDEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)S(N)(=O)=O 2282398063 VZVLNFKWMBEOHT-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282603581 IUSOCRZIUVSTGO-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE CC1(C)CC[C@@H](O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858672 ALQMIRXEMXBGDN-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE COCC(COC)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858922 FPGNXVDOTVCTPA-UHFFFAOYSA-N 405.347 1.329 30 10 HDEE CON([C@@H]1CCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876287 AWAJQOIUHICQFL-CYBMUJFWSA-N 402.347 1.102 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2362723702 CPVLGSJMHXCQNK-KXBFYZLASA-N 400.541 1.619 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N3CC[C@@H](C4OCCO4)C3)cc2F)OC1(C)C 2364926031 NQLZJXWMSFQUPX-GFCCVEGCSA-N 407.247 1.666 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2365196795 QCMPYWSDOPHJLR-LIRRHRJNSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 2365207222 MHMJBUCHQOTKHN-CVEARBPZSA-N 403.589 1.636 30 10 HDEE CN[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2365628563 LMHIMJOXVCPXST-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367785143 QZXQSXSQCKZVAX-JYJNAYRXSA-N 400.541 1.747 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C 2367797132 TWQYCCQZCGRFEW-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CCN1CC(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2368396722 PKIZNTIBTLOUGN-UHFFFAOYSA-N 400.375 1.418 30 10 HDEE Cc1scc(C(=O)NCCCCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369501127 ZAWVWHFZOHWSRV-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CO[C@H](C#C[C@H](N)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379817337 NMINNRAMJVMHFY-CVEARBPZSA-N 400.541 1.556 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)nc1 53147083 LCZDRYCGSLPGIW-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)c1 59310920 TYQRTILALMLXER-CNHKJKLMSA-N 416.467 1.732 30 10 HDEE Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3ncccc3C#N)CC2)no1 105286666 KUBDYHGZXRYWRC-AWEZNQCLSA-N 414.491 1.659 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 111062298 MNZKKDWQLPMPOK-HXUWFJFHSA-N 420.469 1.604 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 111200307 SBNDMOJVNOOHAH-UHFFFAOYSA-N 413.522 1.336 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 219935909 XDIFOIUIFZTMQH-STQMWFEESA-N 424.486 1.110 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 219983884 FTZAEOHTWFBLHY-CYBMUJFWSA-N 402.432 1.352 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CON=Cc2ccc3c(c2)OCO3)c1 254848903 OYFRDHVJUQVUGC-UHFFFAOYSA-N 405.432 1.655 30 10 HDEE Cc1noc(-c2cccnc2N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 301336886 DHZMRGGCHUQYDP-UHFFFAOYSA-N 410.459 1.823 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 303724920 SMKPLQWTDURGNN-IBGZPJMESA-N 402.462 1.381 30 10 HDEE C=CCN1C(=O)N([C@@H]2CCCN(Cc3nccn3C)C2=O)C(=O)[C@H]1Cc1ccccc1 431607941 IWSQHODPSTWBEE-RTBURBONSA-N 421.501 1.973 30 10 HDEE CO[C@]1(C)C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 466678192 SAWDADBELZGVRI-FXAWDEMLSA-N 420.535 1.778 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 468307798 JLGSXCMXCIWRNR-QHCPKHFHSA-N 417.469 1.368 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 484923462 FNYVAGURBFWZSV-LIRRHRJNSA-N 415.471 1.531 30 10 HDEE CN1CCN(c2ncccc2CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506094264 HEVFSJKDXLNWGG-NRFANRHFSA-N 401.511 1.711 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 508605042 RFMHZFUAQNXVAT-FQEVSTJZSA-N 400.435 1.939 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508953618 VJGNFUREJMXHET-HNNXBMFYSA-N 414.514 1.529 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 524422060 XBGAWVYTJIVDCZ-LSDHHAIUSA-N 404.517 1.710 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@@H](C)CO)nnc12 532686028 OPVUHQKMJVHTDQ-STQMWFEESA-N 401.492 1.455 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2cccc(OCc3cccnc3)c2)CC1 538861556 YQESYOMCCGLTMD-UHFFFAOYSA-N 408.502 1.650 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 542453343 YSILHOFURAPXSH-RDJZCZTQSA-N 420.477 1.159 30 10 HDEE Cc1noc(C)c1CO[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 545173887 UAYKGBIOUOQVEH-ICSRJNTNSA-N 403.527 1.575 30 10 HDEE N#CC1(CS(=O)(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCCC1 546797798 GNTFQHFXPVEFMF-UHFFFAOYSA-N 405.520 1.890 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(C(=O)N3CCCCC3)CC2)n1 553100947 GWZUFVXVOGDFMD-UHFFFAOYSA-N 414.510 1.699 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](OC(F)F)C3)CC2)cc1 558962635 TUQIQMIJSLWDNV-HNNXBMFYSA-N 413.446 1.799 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cnccc2C#N)CC1 571831106 AJMOUVSWYYLQMD-MRXNPFEDSA-N 417.473 1.583 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(C1)Oc1ccccc1O2 582445304 LAXMFTWGZTVCMF-AWEZNQCLSA-N 413.455 1.625 30 10 HDEE Cc1ncc(S(=O)(=O)N(CC(=O)O)Cc2cc(Cl)c3c(c2)OCO3)cc1C#N 589974785 JYTIZINSKZGEQC-UHFFFAOYSA-N 423.834 1.919 30 10 HDEE CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 608979427 JOPFAWIOOAMGRV-UHFFFAOYSA-N 420.922 1.982 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2Cc3ccccc3C2)CC1 609771686 WJNIMTJJVNKZRB-UHFFFAOYSA-N 424.526 1.989 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 623006148 MQPALSUFZSYLFB-UHFFFAOYSA-N 410.495 1.985 30 10 HDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670211037 KKYRSLOFCRXURZ-XLIONFOSSA-N 411.554 1.849 30 10 HDEE O[C@@H]1CN(c2nc(N3C[C@H](O)CC(F)(F)C3)cc(C(F)(F)F)n2)CC(F)(F)C1 682475860 DPBCHPMTOXNAOB-BDAKNGLRSA-N 418.313 1.908 30 10 HDEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291130 HAPOELJKEZZRFQ-CQSZACIVSA-N 421.500 1.816 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C 734293831 OZVWPMMWFVIFPA-QGZVFWFLSA-N 400.460 1.521 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccc4c(c3)OCO4)n(C)c2=O)cn1 735068977 KAMUBZLYFRMJRA-UHFFFAOYSA-N 422.466 1.168 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 747241670 XHVUHXUZINKMLW-QPJJXVBHSA-N 412.471 1.650 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 751956574 AFISIAMAFNFWPM-IBIZNAIESA-N 406.483 1.666 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 774146333 NATKXNGBOPTZOO-SJORKVTESA-N 423.535 1.138 30 10 HDEE C#CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 774169873 XJXZDSJAMDATEY-LJQANCHMSA-N 403.548 1.655 30 10 HDEE O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1ccnc(OCC(F)(F)C(F)F)c1 776038435 YFNQODUVXCOMBL-ZETCQYMHSA-N 407.242 1.339 30 10 HDEE O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)OCC#Cc1ccccc1Cl 787003411 XLCQHMPNJVVUNU-IBGZPJMESA-N 404.894 1.948 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)c2cccc(F)c2C#N)C1 810702356 PJYCUYJWDQWISC-AWEZNQCLSA-N 415.418 1.707 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccc(F)cc1 812525794 NDCMVLGBYNQQGG-HNNXBMFYSA-N 400.428 1.989 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1116541175 ANZSQLCNVMTMIB-INIZCTEOSA-N 411.462 1.732 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)CC3(C#N)CCOCC3)cc2)CC1 1125806106 RTLRHENGLGZBIP-UHFFFAOYSA-N 413.522 1.546 30 10 HDEE N#Cc1cccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c1Br 1126200432 SSRBKIAZFCQQHV-UHFFFAOYSA-N 418.251 1.628 30 10 HDEE C[C@H](C(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1130750483 QMSJSHQGXPJEPY-MCIONIFRSA-N 412.416 1.893 30 10 HDEE COC(=O)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 1146568873 AUJNCERCWIBMOT-CQSZACIVSA-N 421.519 1.838 30 10 HDEE CC[C@@H](Cc1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392762 HJCCSZJPKOOBNS-ZDUSSCGKSA-N 419.279 1.968 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 1175515319 XBPIXPVHXDVVJM-UHFFFAOYSA-N 423.498 1.527 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)C1 1177758963 IXSPEWRTOIZMIN-ROUUACIJSA-N 412.490 1.668 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(OC)c(OC)cc2Br)nn1 1191582977 PPGUMQLHNNDDFF-UHFFFAOYSA-N 417.285 1.722 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 1194689971 CWQJKICTRWXUGN-OAHLLOKOSA-N 411.593 1.829 30 10 HDEE CN(CCc1cccc(C#N)c1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 1197115027 JWYJNDCIBYEQII-UHFFFAOYSA-N 406.895 1.972 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)CC1 1198386685 GWAWUNSVLBOMDD-SQNIBIBYSA-N 405.543 1.372 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1205614105 CAWVXJKJBKHRIY-RTBURBONSA-N 414.506 1.885 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)c1OC 1212030415 DQNSQDHSBULVKO-UHFFFAOYSA-N 408.505 1.851 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1213706618 OHZATWXPFJEFOS-NSHDSACASA-N 408.448 1.693 30 10 HDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CCOCC1 1214201737 KPWZDAQWFKYLNL-UHFFFAOYSA-N 408.524 1.697 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OC)cc1Br)[C@H]1CCS(=O)(=O)C1 1264995579 LHNIDCNOEKULQO-NSHDSACASA-N 416.293 1.729 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1265833859 SFMAZNIUGMXXHE-ZDUSSCGKSA-N 419.482 1.960 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286349277 GZMUPHSWNAQAST-QGZVFWFLSA-N 421.567 1.288 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1N1CCOCC1 1286357780 AMFWGMJDGGCIRV-UHFFFAOYSA-N 422.533 1.777 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1286377070 RJHFBDKXZXMCGP-HNNXBMFYSA-N 405.499 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(CC)CC)CC1 1286485672 UKNIUQBFRQHOBF-AABGKKOBSA-N 418.586 1.488 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1286510210 LQBWDPRAFYBKEB-UHFFFAOYSA-N 403.508 1.736 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286778414 CYFZIXKHTYNFAS-OALUTQOASA-N 415.542 1.634 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286794124 XLJLQISZEIFXNA-DYESRHJHSA-N 421.542 1.482 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC(OCC)C2)C1 1286811910 JYDZGTWXWJEPKZ-BQJIDLTASA-N 419.526 1.112 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1286817551 NRAVSYSXSLPGNU-HNNXBMFYSA-N 409.487 1.769 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCCO1 1288079057 GYKWBESPAFYTCU-KRWDZBQOSA-N 404.515 1.742 30 10 HDEE CC(C)NC(=O)CN1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1288253428 KDDHVLWSJWPENR-UHFFFAOYSA-N 411.510 1.705 30 10 HDEE Cc1ccc(OCCN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1289845560 GLWBLNKFMMDTSK-FMQUCBEESA-N 410.478 1.937 30 10 HDEE C=C1CCC(C(=O)N(CCO)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1290765343 XTZJYEVUSMWAPH-TXVWBRJLSA-N 402.535 1.968 30 10 HDEE C=CCCn1cc(C(=O)NCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C)nn1 1291619119 RKOKLSYJMNSDPK-VDCDIQELSA-N 401.511 1.636 30 10 HDEE C#CCCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1300377485 VUCWWBJNLPPLCF-CBGDNZLLSA-N 420.510 1.094 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300491814 IXMLRHPICMLRCN-MJGOQNOKSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1300531452 AMNMMXPPEJXBKU-UHFFFAOYSA-N 424.505 1.189 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCC[C@H]1C 1300558808 CKHCQLFAQJXUKW-QIJUGHKUSA-N 400.523 1.944 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)[C@@H](C)COC 1300717912 SRGOTWLCRKYGDJ-LBPRGKRZSA-N 405.314 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cnn(C)c2)CC1 1300719696 MJKVDZRQHYWJPN-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 1301194008 DVMGCILIFFAOGH-UHFFFAOYSA-N 411.510 1.413 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1301259913 QMEXSTYRKUEKRT-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1301503252 XEWPRHJBHWBPAF-UHFFFAOYSA-N 416.501 1.613 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](CCOC)C1 1301508177 FYIKHOZBOZMCNE-KRWDZBQOSA-N 423.521 1.682 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1301539530 SDSLPMVUDAOHOW-ZFWWWQNUSA-N 420.495 1.183 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1301884664 UMTLHMGOIOOBCH-UHFFFAOYSA-N 408.466 1.544 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1301960280 PDEWFTNKXWPZTE-CYBMUJFWSA-N 403.874 1.448 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(CSc4nc[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1304002623 VHLNLZSVWBWSOH-YOEHRIQHSA-N 403.489 1.107 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1304444022 ZVMCDRGGTFCQDR-ZWKOTPCHSA-N 410.478 1.597 30 10 HDEE C=C(C)[C@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 1309417516 AQXCCHFYXMAHQF-WBMJQRKESA-N 408.492 1.783 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1312788764 MSLBIBOZJIYRPV-UHFFFAOYSA-N 420.579 1.781 30 10 HDEE COC(=O)c1cnc([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 1312897248 SWYMYLYDKSHQFS-GFCCVEGCSA-N 400.464 1.789 30 10 HDEE COC(=O)c1nc(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1Cl 1312983877 QGBKPZLGTXEBHE-UHFFFAOYSA-N 414.853 1.820 30 10 HDEE COCCN(C)CCn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316067038 APWBHNYWEHYUFY-UHFFFAOYSA-N 401.490 1.502 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)O 1316184796 KWEYXZDVVKUBDN-CYBMUJFWSA-N 416.482 1.308 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCC(=O)N2)c1 1316531723 QXLFJLSAHDLURO-MRXNPFEDSA-N 415.448 1.482 30 10 HDEE C=CCCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1 1353920298 RZYDCNYABAUELX-UHFFFAOYSA-N 407.471 1.530 30 10 HDEE Cc1cc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)ncc1C#N 1356194020 TZWDSTJSCYKJIP-UHFFFAOYSA-N 407.474 1.853 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1OC 1357595665 BPWSSEIXNMVMNM-UHFFFAOYSA-N 401.463 1.699 30 10 HDEE CS(=O)(=O)c1cccnc1C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1357658379 CIRVWGLTJDUDHH-UHFFFAOYSA-N 412.471 1.848 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1359000368 SVZPQUWBOHIYHE-MRXNPFEDSA-N 418.567 1.657 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1359281963 NWHUMNXDCGVISC-UHFFFAOYSA-N 402.890 1.733 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(OC)CC1 1359331029 KYTQERQTYHWGNJ-IBGZPJMESA-N 422.555 1.675 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1360486543 FQPJGWCGQYHBIJ-DPHDRGAJSA-N 423.477 1.172 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1445834034 RGJODAPJIZUSJY-HOCLYGCPSA-N 420.462 1.578 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(n4cnnc4O)CC3)CC2=O)cc1Cl 1448783118 HCFVCYOTUGEGBU-ZDUSSCGKSA-N 414.853 1.725 30 10 HDEE N#Cc1cnn(C(=O)c2cc(I)ccc2N2CCOCC2)c1N 1454246559 MXXZVQNUNZTOAQ-UHFFFAOYSA-N 423.214 1.467 30 10 HDEE Cc1c(C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cnn1CCC#N 1463457587 YWGNTLPSBRXJEK-SWLSCSKDSA-N 404.414 1.687 30 10 HDEE COc1ccc(C(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)N1CCCC1 1471966563 XSBYVCZAYVGXSD-UHFFFAOYSA-N 400.460 1.676 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(S(=O)(=O)N(C)C)s1 1473279008 PTZXEDPQAUVGFR-ZDUSSCGKSA-N 406.537 1.371 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 1473659225 SRAUDKQUHLZEKQ-QGZVFWFLSA-N 421.542 1.064 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1475296025 DXNSFAGDTJAPMD-KGLIPLIRSA-N 401.410 1.898 30 10 HDEE CC(C)[C@H](NC(=O)Nc1sccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1476828779 CGLSATODHMUHOY-HNNXBMFYSA-N 401.496 1.962 30 10 HDEE CN1C(=O)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2ccccc21 1478568319 OMIXEEYPLLVXGC-LJQANCHMSA-N 417.469 1.847 30 10 HDEE C#CCN(C(=O)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21)[C@H]1CCS(=O)(=O)C1 1479078924 JEVXCCGILVCVEF-ASTDHERZSA-N 423.332 1.919 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 1494236734 SPSDVVGRLHGLLS-IRXDYDNUSA-N 424.505 1.679 30 10 HDEE COCCCN(C)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504815205 QLKWDTZDBAMUFE-HXUWFJFHSA-N 424.553 1.485 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507535775 YWBBQGHGRUYUQB-RYUDHWBXSA-N 407.400 1.739 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1507583387 RCUPYWMPOLRAKC-UHFFFAOYSA-N 419.537 1.821 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1507666838 GPVZXMYUMOZLGR-MRXNPFEDSA-N 411.462 1.274 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1507772739 MYPOISZNTBRRMH-CXAGYDPISA-N 402.467 1.802 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1507885429 ZYDJFPJZSJEUGU-OAHLLOKOSA-N 419.507 1.246 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC)C1CC1 1507992355 CDDPBIHDXAHLKH-HOTGVXAUSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cscn2)CC1 1508080007 HDRZFXYPSXCNNR-UHFFFAOYSA-N 412.523 1.354 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508086429 LGUZPPLKDZLHCP-ZIAGYGMSSA-N 408.453 1.403 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1510111524 HMALLMUEQBVJDY-WMLDXEAASA-N 419.507 1.101 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(C#N)o1 1510169010 OPLUQSVFUMIUTH-SNVBAGLBSA-N 420.417 1.790 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511142882 VOKLKTDUNUPOFN-MEUCICPISA-N 423.477 1.400 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C1=O 1517404315 BRDCSCMCZYKQPN-OAQYLSRUSA-N 404.478 1.628 30 10 HDEE C#CC[C@@]1(C(=O)N2CCn3c(COC)nnc3C2)CCCN1C(=O)OC(C)(C)C 1531539291 BPHUMGBLQIABND-FQEVSTJZSA-N 403.483 1.560 30 10 HDEE COC(=O)C12CCC(CC1)N2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1535105712 QXGSFYQBXJAZNS-TZQQIIETSA-N 410.430 1.460 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C 1538970213 AWHLNCYAURUKJT-LUKYLMHMSA-N 411.572 1.797 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1539032581 YLCYLSZWJAAHBP-SFHVURJKSA-N 411.506 1.872 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)CC)c1 1539040561 WPPYIHCWYMPYFJ-QFIPXVFZSA-N 421.505 1.896 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1539141274 FCFZFFDZHIUNKB-FVJLSDCUSA-N 401.511 1.401 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCCC1 1539154301 IAAPUXDHPCDGII-UHFFFAOYSA-N 401.536 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1539368961 FVMFPBDINFJTJC-HOTGVXAUSA-N 405.524 1.536 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1539758299 JXORUJKXTXYEQS-MRXNPFEDSA-N 404.515 1.050 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 1540575793 KJBQRERPEYQQLR-UHFFFAOYSA-N 405.501 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CC)C1 1540867282 QIRZRIKJIJPTOY-HNNXBMFYSA-N 415.494 1.880 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1CCOC1 1541923308 XCHUYKQQFAZSSX-GJZGRUSLSA-N 410.544 1.445 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 1544373148 WOYKJAIXYDMLFU-BEFAXECRSA-N 404.486 1.768 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)n2C)c1 1544607514 CLKQLDWNDCKJEX-FXBPSFAMSA-N 419.507 1.569 30 10 HDEE C=C1CC(C)(C(=O)NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)C1 1546209940 HPXACPJTPKQTPK-UHFFFAOYSA-N 416.521 1.264 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1C 1547636675 AMHQIUUQKQMCKT-JKSUJKDBSA-N 416.551 1.780 30 10 HDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)n1 1548369197 KERPWENLDBGTNR-MRXNPFEDSA-N 420.395 1.610 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1554139692 NAGWZQZLNUJMLU-PEZBUJJGSA-N 421.383 1.865 30 10 HDEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1554352478 SJJOZIGCYKWTTI-SFHVURJKSA-N 422.493 1.686 30 10 HDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1555271339 FOXPUJOFPGESFY-UONOGXRCSA-N 423.518 1.961 30 10 HDEE N#CC1(C[C@H](O)CN2CCn3ncc(I)c3C2)CCOCC1 1560169096 YWXAMVHVOSUEFP-LBPRGKRZSA-N 416.263 1.375 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)C1 1561687241 YZEIKQXZERZTQI-CQSZACIVSA-N 400.522 1.881 30 10 HDEE CC1(C#N)CN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1568395958 QWQUEOPBTZVNBL-HXUWFJFHSA-N 409.483 1.706 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@@]2(O)CCCN(C)C2)nc1C 1585261094 GUEIMXKVICVGRM-KRWDZBQOSA-N 408.553 1.970 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1587869935 UILFHMMNBGPJAO-QGZVFWFLSA-N 412.519 1.553 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCCC 1587990585 YUSMYILRRKSFMI-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1588011798 KFGKFHVKCSRBJS-UHFFFAOYSA-N 414.413 1.018 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nncn1CC 1588205288 IIRIPSFHYKDRQM-UHFFFAOYSA-N 417.473 1.839 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)CC1 1588742289 PZTYDUPISGFVNA-MRXNPFEDSA-N 406.556 1.144 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1 1589060813 ZBUVWNKCIYVHII-GOSISDBHSA-N 405.568 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1589133879 AYAUSFPOUYVMIL-JOCHJYFZSA-N 414.554 1.617 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)ccc1F 1597436963 NXQRARUXXWYRMH-CQSZACIVSA-N 411.421 1.902 30 10 HDEE Cc1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1598393857 AUJSVBFLQWXKLX-CQSZACIVSA-N 405.398 1.590 30 10 HDEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCc4c(sc(N)c4C#N)C3)ccc21 1603038942 LMDCPVVMTINQGJ-UHFFFAOYSA-N 402.501 1.723 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCOC3(CCOCC3)C2)n1Cc1ccc(C#N)o1 1609513404 CGXXKTZMCMSKLS-UHFFFAOYSA-N 414.466 1.315 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)CC1 1615884681 FCVMOGRLBVJZAI-GUDVDZBRSA-N 403.575 1.999 30 10 HDEE CN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1617733690 OAYZXOHZQHYQNV-MXLIYFDZSA-N 408.462 1.697 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1619904095 ACYCLWRKQAJPOI-LSDHHAIUSA-N 423.535 1.177 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)cc3F)CCO2)cc1 1622394156 HIYOWTATCQUOIA-QGZVFWFLSA-N 424.475 1.863 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1623648844 DOGINUSTDKRJSJ-AWEZNQCLSA-N 414.911 1.519 30 10 HDEE C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1624931862 MJLRIXWXWGYOLA-QGZVFWFLSA-N 410.492 1.254 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1 1626150225 PPMYUUHKKKHCIE-AZUAARDMSA-N 420.387 1.876 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1626966894 VOLVVFMGYDSZEN-GOSISDBHSA-N 420.554 1.307 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1627653211 XKEQVIDAXBAQEE-RMKNXTFCSA-N 404.438 1.668 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2C(=O)NC(C)(C)C2=O)n1 1627668024 VAWINBQMVNFNFB-UHFFFAOYSA-N 421.508 1.069 30 10 HDEE C[C@@H]1CCC[C@](C#N)(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1628602047 GBUMVLWYENABEE-GLJUWKHASA-N 401.529 1.903 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCN(C(N)=O)C3)CC2=O)cc1Cl 1629116534 AAQKDTZGPZGYOW-JSGCOSHPSA-N 403.870 1.471 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2c(F)cccc2F)c1 1629238037 CLAGNKYCQFAVJP-UHFFFAOYSA-N 420.437 1.922 30 10 HDEE CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(C(=O)CC#N)CC1 1630034069 FMAUXVKXVWTVLG-KRWDZBQOSA-N 402.520 1.431 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)C[C@H]2CC[C@H]1C2 1630550190 DSHXONMCCGSBEN-ZJOUEHCJSA-N 401.532 1.863 30 10 HDEE N#Cc1cn(CCC(=O)N2CCCc3cc(Br)ccc32)c(=O)nc1O 1630729949 CRRCFRCOCBHYJI-UHFFFAOYSA-N 403.236 1.953 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Cn3ccnn3)C2)s1 1631138399 NOJJBXLOXVUOJT-CQSZACIVSA-N 409.537 1.285 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 1631265483 DFZWXCHWINEYDC-HNNXBMFYSA-N 402.476 1.297 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632077946 WJLLAFQARDMWFJ-CVEARBPZSA-N 416.279 1.962 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)CC(C)(C)C1 1632224738 IONLOPRRDUXLAH-HOCLYGCPSA-N 407.536 1.903 30 10 HDEE Cc1ccccc1[C@@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632582974 MYBJUUBHTSNAQQ-GOSISDBHSA-N 415.446 1.745 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCC(O)CC2)C1 1634343602 USXNNZMCFQZVEF-UHFFFAOYSA-N 421.339 1.720 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1634560151 UKRHDCPCLSXOAX-QGZVFWFLSA-N 401.308 1.971 30 10 HDEE C#CCN1CCC(NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 1635165786 CVYKFRMAJKBAQF-HSZRJFAPSA-N 408.502 1.589 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635472677 XUHMWSHHPNESCL-QFBILLFUSA-N 421.563 1.689 30 10 HDEE C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1636611984 VEWGNCHVGQMHAP-SNVBAGLBSA-N 400.298 1.306 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2c(CO)cnc(C)c2O)cc1 1639128723 HHJBGEJBMZTXPN-UHFFFAOYSA-N 417.487 1.162 30 10 HDEE Cc1cc(C#N)cc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 1639574359 IUBBCRYDHHQJGW-UHFFFAOYSA-N 421.523 1.333 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1)C(=O)OC(C)(C)C 1641389775 ABHAAFPQKVKWED-FQEVSTJZSA-N 414.550 1.789 30 10 HDEE COC[C@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCCN1C(=O)OC(C)(C)C 1642709225 LLVSRVWQBDQYHP-UWJYYQICSA-N 406.527 1.991 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)/C=C/c1ccccc1C#N 1643560556 IICYTMKYGLAMAQ-ZHACJKMWSA-N 414.443 1.917 30 10 HDEE N#Cc1cccc2c1CN(CC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)C2 1643654631 BHOPCFOOORFCQP-UHFFFAOYSA-N 410.499 1.407 30 10 HDEE C=CCC1(O)CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1644570719 PBGRVYOFFUKHLK-SFHVURJKSA-N 415.490 1.802 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]([C@@H]2CCCO2)C1 1648399400 HEVOIKMVXXGHHR-NEWSRXKRSA-N 406.504 1.765 30 10 HDEE COc1ccc(Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1SC(F)(F)F 1652166651 HHLHBCLDTQJMRG-UHFFFAOYSA-N 415.393 1.851 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CCO2)cc1 1652920069 UPYUBQGWSPMMEB-OALUTQOASA-N 421.457 1.649 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1c1cnccn1 1653947704 NKJBMECALAAAJZ-OAHLLOKOSA-N 414.491 1.019 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1654747261 PXEAHYCXLJYHLK-IAGOWNOFSA-N 412.408 1.873 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(c3ncc(I)cn3)CC2)CC1 1655256140 PKPXKSUWSMFLJC-CYBMUJFWSA-N 413.263 1.258 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1656235087 ZSWDXDFDZKODKO-JTQLQIEISA-N 417.281 1.487 30 10 HDEE C#CCN1CCN(C(=O)CN(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)CC1 1659982503 KWRLOANMZKMVGS-UHFFFAOYSA-N 406.571 1.923 30 10 HDEE CN(C[C@@H](O)CN(C)S(=O)(=O)c1cccc(F)c1C#N)C(=O)OC(C)(C)C 1663658505 SEEVQGJDFXPHQK-GFCCVEGCSA-N 401.460 1.546 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(CCC(N)=O)[C@@H]1CCOc2ccccc21 1663927823 BFHLNSBTFGAYKS-MRXNPFEDSA-N 415.471 1.957 30 10 HDEE C=CCCCS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1665913192 JHTQZFSNUNQQPN-UONOGXRCSA-N 408.542 1.001 30 10 HDEE C#CCN1CCC(NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 1679203014 QWNRSHFWOQTGMU-UHFFFAOYSA-N 403.571 1.108 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1682790252 QSVMADIYMVLULV-UHFFFAOYSA-N 418.563 1.146 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689837618 JIJKEPNAXNVNLK-CQSZACIVSA-N 420.473 1.568 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1689848255 RKCZBLJIMULGQM-OAHLLOKOSA-N 400.483 1.186 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689897630 CJKJLPAGYMWUMI-HXUWFJFHSA-N 422.533 1.895 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 1690156599 ZCOSFNAPKAEYEX-LSDHHAIUSA-N 423.564 1.842 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1690366230 UDQDKKZGMJKLLF-HXUWFJFHSA-N 424.567 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C)C1 1690729202 IZRUCMFHCLXZQA-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)N(C)C 1692699084 QFFKCKWXGYXGBP-SUMDDJOVSA-N 407.522 1.729 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1692849255 BGWXDBPITIZSGO-PGRDOPGGSA-N 424.505 1.714 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1696630969 KITAYEBMDACAHJ-SFHVURJKSA-N 417.535 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1705487152 STOMXHZWOXIFSL-DLBZAZTESA-N 411.506 1.895 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1705599378 YGDUCYKMEUSLTQ-LJQANCHMSA-N 421.501 1.547 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2occc2C)CC1 1705644472 RNCMKPYEZHDKHQ-UHFFFAOYSA-N 412.494 1.332 30 10 HDEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705794193 YKBXUJZREYPJDI-KRWDZBQOSA-N 414.554 1.760 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1705816469 HQLIZSGBDXCFBU-CQSZACIVSA-N 417.539 1.516 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705890747 GCWRRSQPNHVDOE-HOTGVXAUSA-N 423.583 1.745 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2)C1 1705917141 VAMFNSPZXCSPLU-PBHICJAKSA-N 423.514 1.857 30 10 HDEE Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1707576383 DPRSJJRTFKNSAF-HZPDHXFCSA-N 423.477 1.214 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C1CC1 1711582286 FMOCCHMONPQWGR-SQGPQFPESA-N 405.499 1.472 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1711609224 ATKNUSALEZOGFV-UHFFFAOYSA-N 410.478 1.324 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1711732007 CZFWELAACJXFEV-CABCVRRESA-N 403.508 1.984 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722360154 ZHYKDBQRLOBRKE-AWEZNQCLSA-N 422.580 1.605 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369120 YSKAMVJZSARCSX-AEFFLSMTSA-N 415.519 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722447221 JJGNUNHMMIMHDX-SFHVURJKSA-N 400.571 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCSC2)CC1 1722447727 MVRMJEUXLCWVAL-WMZOPIPTSA-N 417.579 1.891 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1722459719 PPDVGHPSBRYSMW-HUUCEWRRSA-N 412.581 1.550 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1722728282 OXUGPEFGYLTFHI-UHFFFAOYSA-N 411.572 1.525 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1722794967 XTSFQGPCMRTBGU-FQEVSTJZSA-N 422.489 1.742 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1723636895 PSVQTOUKUWAQME-OAQYLSRUSA-N 412.494 1.583 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1727658066 BBUOYIRAEVEVDQ-IBGZPJMESA-N 422.489 1.790 30 10 HDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1728504089 FKEOMUVSZHFDSF-UHFFFAOYSA-N 414.535 1.536 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1730256368 NYULQUIQQOUVOV-AWEZNQCLSA-N 408.466 1.903 30 10 HDEE CS(=O)(=O)CCCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1731004573 GCNSJTYMLRWBMV-UHFFFAOYSA-N 414.535 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1740550122 HQIRTUIZPKBSRE-OKZBNKHCSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(COCC)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740628947 XAKUISCPNNADQL-KRWDZBQOSA-N 418.519 1.520 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccc(C(N)=O)c2)CC1 1740698684 KMNWFYRJGDYKRS-UHFFFAOYSA-N 406.534 1.913 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 1740838453 PSYSMMIJUVYIEI-SFHVURJKSA-N 415.586 1.658 30 10 HDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1740887240 AQGFTMNUEWOAOM-UHFFFAOYSA-N 423.315 1.907 30 10 HDEE C=CCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1740949588 LUPABXGZQKMYDE-YWZLYKJASA-N 417.514 1.691 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc(C)s2)C1 1740970467 LUBICEXDBFDKOY-AWEZNQCLSA-N 405.528 1.600 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1741131690 HBNZKOYFFIRTMS-SQNIBIBYSA-N 422.599 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1CCC(O)CC1 1748638731 VGNWFWOYIJVZCK-MRXNPFEDSA-N 404.559 1.501 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1748641057 ZBNHXOOTTHKJQI-KGLIPLIRSA-N 406.512 1.188 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1Cc1ccccc1S(=O)(=O)N(C)C 1748687453 KDZKHYOLXKWYIA-OAHLLOKOSA-N 405.524 1.571 30 10 HDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748743859 NOTHDZSOWNLMDC-HNNXBMFYSA-N 405.499 1.968 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748745085 DYLLDMRUMFHJAB-UHFFFAOYSA-N 417.521 1.937 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1748829690 HESWTAYBHKYFHA-ZZTDLJEGSA-N 412.534 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CCC)OC)CC1 1749009783 LKJHKTXMHDEFLP-RTBURBONSA-N 417.554 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1 1749664347 KZSBSCGTSAJEED-UHFFFAOYSA-N 413.478 1.645 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCOC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681714 GPLDJDPDUMZGMU-OXJNMPFZSA-N 407.515 1.094 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C3CCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1751276588 CNGCKTLXOCQANC-KXBFYZLASA-N 406.556 1.957 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(=O)(=O)CC 1760163083 LGWTWXHWQFTDGX-UHFFFAOYSA-N 423.926 1.366 30 10 HDEE C#CCN(C)c1nnc(CC2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1760176750 SJOUTMJVCHLZRB-UHFFFAOYSA-N 411.597 1.459 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1)C1CC1 1760477175 RFXUOHDZRTZHJF-MRXNPFEDSA-N 409.556 1.057 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(O)c2)CC1 1760523225 QDPFIQBWQMDZNB-UHFFFAOYSA-N 422.493 1.013 30 10 HDEE C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1761514195 APVVKWMFWKCMDH-BTYIYWSLSA-N 412.469 1.944 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765342775 OIFBWGIJCSSPKC-LIMHQNJXSA-N 406.494 1.789 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C#N 1766729814 KIMWHLDGSZKJMG-LBPRGKRZSA-N 411.557 1.169 30 10 HDEE CCN(CC1CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1766802234 CYKJRFXGDPXMIA-CZIZESTLSA-N 422.493 1.888 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@@H]1CCOC1 1768575655 AEEGSMWKZUYDKO-UTKZUKDTSA-N 413.478 1.759 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCSCC2)CCO1 1770746517 AYRMLSSFSOLYJX-HNNXBMFYSA-N 419.942 1.771 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 1849792032 SESPXCHDFXPBNY-KRWDZBQOSA-N 403.439 1.158 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)CCN2C(=O)CCCC2=O)C[C@@H]1c1ccccc1Cl 1849904467 XAAHFVUXKDJSAJ-ZFWWWQNUSA-N 409.895 1.748 30 10 HDEE C=CCN(C(=O)C1CN(c2nc3cc(OC)ccc3s2)C1)[C@@H]1CCN(C)C1=O 1849908589 UMPGBWOTEWDFAF-MRXNPFEDSA-N 400.504 1.986 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1CC)[C@@H]1CCN(C)C1=O 1850864028 YXDADXRDPRXTAE-MRXNPFEDSA-N 411.462 1.460 30 10 HDEE COc1ccc(N(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=S)N=CN(C)C)cc1 1851233995 JRMWEYGZSXTQHH-CQSZACIVSA-N 416.507 1.845 30 10 HDEE COCCOc1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1851256864 GEUHGBKEGBBOHU-UHFFFAOYSA-N 410.474 1.957 30 10 HDEE CN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)CC1=O 1853814662 DEVNXBDPDOFLHZ-PKOBYXMFSA-N 408.502 1.540 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccccc2F)C1=O 1854132013 WSIPQHSCQOECAB-MOPGFXCFSA-N 401.482 1.995 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1=O 1854169342 UBGJSMBMAUPNJU-IAGOWNOFSA-N 409.446 1.196 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCCC2 1854288832 RAVIKMRUJPWPBG-SFHVURJKSA-N 409.490 1.561 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854354397 KKMSOWZYWQMEIR-MJGOQNOKSA-N 400.454 1.121 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCCC[C@@H](N2CCN(S(=O)(=O)C(C)C)CC2)C1=O 1854565893 AASZJCKOIGWVFE-QZTJIDSGSA-N 413.584 1.852 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccnc(Br)c3)C(=O)C2)C1 1855073049 SQMHZFUQQQSKEJ-AWEZNQCLSA-N 406.284 1.116 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cnn4ccc(C(F)(F)F)nc34)C2)CC1 1855837748 NLZKYKYQUYIEEQ-ZDUSSCGKSA-N 420.395 1.972 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1nnc([C@@H]2CCOC2)o1 1856233703 HYNHMUBTYOQIQG-RHSMWYFYSA-N 409.446 1.247 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(C)c3)C2)CC1=O 1856787543 PYBKIZUWUQBQKI-IRXDYDNUSA-N 408.476 1.018 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2=O)CC1 1857073822 VQRVRQSSJJZCKS-LJQANCHMSA-N 407.449 1.585 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1cncc(C(=O)N[C@@H](C)C(=O)OC)c1 1865935457 YNDCRXLJVNVICQ-AWEZNQCLSA-N 413.430 1.955 30 10 HDEE O=C(NCCCCCO)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869934011 VQLYPYBLPIMJQG-GOSISDBHSA-N 401.488 1.745 30 10 HDEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593802 HWNAUHIWNFGURD-UHFFFAOYSA-N 419.489 1.611 30 10 HDEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874342111 ZQCQHGFQUPVZLJ-PZUDMAOCSA-N 403.508 1.978 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)n1 1889328560 HSPKMISFIQPYCJ-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)ccc2=O)cc1 1891252222 PJQQZRUVKPIDFS-UHFFFAOYSA-N 415.457 1.223 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1891322765 IUFCDLBREOUFOZ-UHFFFAOYSA-N 416.441 1.469 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 1985097130 BBMLODWPSMTJKH-WXRRBKDZSA-N 411.308 1.496 30 10 HDEE COC1(C#N)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2029305646 CIIGPWDCTGQQTD-UHFFFAOYSA-N 405.476 1.397 30 10 HDEE CN(Cc1c(Br)nnn1C)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2082794382 TVFZINGEYNKCKQ-UHFFFAOYSA-N 414.304 1.843 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 2142097236 KTTDAHVMXFAFCL-MELADBBJSA-N 404.554 1.280 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)O 2166305979 LEKXHNHYDHLDEF-ZDUSSCGKSA-N 403.501 1.748 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)CC1 2174779736 MJWOQDMJICDGAJ-BDAKNGLRSA-N 407.336 1.694 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CC(C#N)C2)CC[C@H]1C(F)(F)F 2174782989 XDVLKQCKCUKQAW-NEPJUHHUSA-N 412.434 1.464 30 10 HDEE O=C1NC(=O)N(CC#CBr)C(=O)[C@H]1c1cccc(Br)c1 2198127464 LERLYZPLCWMRBJ-JTQLQIEISA-N 400.026 1.967 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCN(S(C)(=O)=O)C1 2235431762 VVDHAOPVCPCHLI-CYBMUJFWSA-N 400.375 1.513 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@H](O)C(F)(F)F 2241351922 NPYCFKWJORIBFB-MNOVXSKESA-N 418.324 1.557 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243395274 UCNDRMSLCCCPKH-HNNXBMFYSA-N 407.320 1.289 30 10 HDEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247827910 KNYFTSSTGATYQI-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1OCc1ccccc1 2247858140 LFWUTSLXUQPRKY-JKSUJKDBSA-N 412.299 1.592 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(C3)OCCO4)s2)OC1(C)C 2247952921 QAFWDVWPDNPMOK-UHFFFAOYSA-N 401.315 1.185 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249999440 VSPNZDAJLOGUNS-AWEZNQCLSA-N 424.303 1.584 30 10 HDEE C[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267468951 ZCTITRVNQSKJAB-APXPCNQMSA-N 405.372 1.189 30 10 HDEE C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282310590 WJIJRVZHBKDHOV-JQWIXIFHSA-N 420.793 1.929 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](CO)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320178 DYAHFNMYQYHIHL-QWHCGFSZSA-N 401.359 1.747 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1C 2282331494 OJAKRGAASOKYLE-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2ccns2)OC1(C)C 2282413838 KGBIYQXENUPSPW-UHFFFAOYSA-N 415.371 1.561 30 10 HDEE Cn1ncc(Cl)c1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498654 HJZBUVFQMHSHEH-UHFFFAOYSA-N 418.737 1.771 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCOC[C@H]2F)OC1(C)C 2282501502 XXRPBIYJMZDRAD-OLZOCXBDSA-N 405.322 1.594 30 10 HDEE C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506152 NZUFGSIHDQRMNW-VXGBXAGGSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@H](CO)C3)ccc2Cl)OC1(C)C 2282511829 PCXZMEBOYGUSSU-HAQNSBGRSA-N 401.721 1.688 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633960 GATGDCAAGUUNDV-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(C(F)(F)F)C2)OC1(C)C 2282842242 VJLJLHLNSJHUEH-UHFFFAOYSA-N 412.264 1.766 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282846654 MOTDZKHKETURMD-NEPJUHHUSA-N 419.399 1.764 30 10 HDEE CC(C)[C@@]1(O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852599 REDXGOKFXGDEHM-QGZVFWFLSA-N 401.359 1.829 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282854942 XPFIALMBUVHQJJ-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC(C)(O)COCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867126 UKLPENSLAJOJMJ-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE CC1(C)CNC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282868644 QJCKEKVCFRXYRX-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2O)OC1(C)C 2282870963 ZRWZRVBDQWVLHR-FLXNLOQFSA-N 421.286 1.062 30 10 HDEE C[C@@H]1C[C@@H](C(=O)O)N1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284397518 MRIQYLFGMFENBQ-SCZZXKLOSA-N 421.733 1.937 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](C(=O)O)C3CCC3)c2)OC1(C)C 2284404477 YZWHESSATJLNPR-ZDUSSCGKSA-N 401.315 1.579 30 10 HDEE CC(C)(C=CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284414746 JNDRHAXSNKUXQA-UHFFFAOYSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CC[C@H]2CC(=O)O)OC1(C)C 2284414985 VCKMHJBQEJKNDT-CMPLNLGQSA-N 401.315 1.579 30 10 HDEE Cn1ncc(C#N)c1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338904820 UVOLUFLXPONFMX-UHFFFAOYSA-N 415.475 1.890 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2339672221 OTCLYXXDKFWJME-GOSISDBHSA-N 422.547 1.565 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2365202446 DUVVRYKIYCYCNC-DOXZYTNZSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365208620 SRBHWVCAQHSAAO-XTDOFWJNSA-N 400.541 1.603 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)CN(C)CCNC(=O)OC(C)(C)C 2367801244 QCSOTEKBVCOTMV-MRXNPFEDSA-N 401.573 1.392 30 10 HDEE CC(C)(C)OC(=O)NC1CCC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367832256 YTUANSXLLIXMIU-HVEKOLDVSA-N 400.541 1.483 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369532696 HKSUJTSXMOVMPN-BRWVUGGUSA-N 403.541 1.884 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2CC(=O)Oc3ccccc32)cc1 31834499 ZBJQCZUXGRVFNC-UHFFFAOYSA-N 403.416 1.716 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 34691677 CVGYUZNEGPYTQI-RTWAWAEBSA-N 406.498 1.942 30 10 HDEE C=CCNC(=O)CCSc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820626 FELSVZGUCUKYCX-GIJQJNRQSA-N 421.439 1.658 30 10 HDEE C=C(C)COc1ccccc1NCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCC 66062800 MMJMEMHWWUYEQA-QGZVFWFLSA-N 403.479 1.724 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 111046625 CPEAVSQBYKPCIT-QGZVFWFLSA-N 404.467 1.381 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254488639 NUCJUNLGIPQTEI-HRCADAONSA-N 408.501 1.670 30 10 HDEE C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 409951325 LBVHENKRIDIYIX-KBPBESRZSA-N 402.480 1.470 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccnc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 431241510 CXNRTGJRAUBJDV-LJQANCHMSA-N 401.444 1.565 30 10 HDEE C[C@@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc(S(=O)(=O)N(C)C)cc1 437548851 RABMSDOSHIZEJA-LLVKDONJSA-N 405.505 1.853 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 438836627 AOJFWBDINNYSLC-UHFFFAOYSA-N 412.515 1.733 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)O)C[C@H](OCC)C2(C)C)cc1 439713969 APWQYHVQNHJRID-HNAYVOBHSA-N 410.492 1.539 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)ccc1Cl 443188704 QRGJMTDMYMHNSW-LBPRGKRZSA-N 410.835 1.659 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN(CCO)[C@@H](C)C2)cnn1-c1cccc(C#N)c1 443714374 YJPSOBOVKHCTQS-INIZCTEOSA-N 424.505 1.160 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 474192008 JYNAACPJMJZGQR-GCJKJVERSA-N 417.554 1.597 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 479934825 XOADIQYMLUZQLV-HUUCEWRRSA-N 424.486 1.683 30 10 HDEE CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 481050940 BGEOZRQMSKAXHM-UHFFFAOYSA-N 418.494 1.608 30 10 HDEE CCc1nc(C2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n[nH]1 481978002 GDOBIQHXENGWTR-UHFFFAOYSA-N 416.507 1.497 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C2 483463711 ZETSBHFTLROSNR-BIENJYKASA-N 421.475 1.416 30 10 HDEE COCCNC(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 488122388 VARCRTIZGKYFJT-UHFFFAOYSA-N 408.462 1.684 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488967056 HUHDBAQDVARODP-HNNXBMFYSA-N 408.499 1.405 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 489186590 SRLSEGBXYAHWAB-GOSISDBHSA-N 405.520 1.489 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2cccc(F)c2)c2ccccn2)CC1 499303787 XVPLYYYEBWRRLM-OAQYLSRUSA-N 411.481 1.940 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 505023909 JRFUDUIGPCFGMT-UHFFFAOYSA-N 404.492 1.562 30 10 HDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1S(=O)(=O)CCCS(=O)(=O)NC 506959384 ARSXKNZXKBADRO-UHFFFAOYSA-N 418.928 1.498 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 533086205 NEIYZUKOOUYLGT-HNNXBMFYSA-N 424.522 1.827 30 10 HDEE CCc1onc(C)c1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534782174 ZYTDETPBKABYJF-UHFFFAOYSA-N 403.464 1.956 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 544001699 CXHZRKOAZFYQCN-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 545497872 OGYRRARVLQDBKX-QGZVFWFLSA-N 406.402 1.316 30 10 HDEE Cc1nnnn1-c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 545511934 MCTCURKTFKBFPB-UHFFFAOYSA-N 407.413 1.731 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 557721922 LKGMKSQXWHQSBU-COXVUDFISA-N 402.882 1.869 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 580501670 NUAAFVIMVPKTAB-KRWDZBQOSA-N 415.519 1.943 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 607693433 OCZZVLQZURIYFL-MRXNPFEDSA-N 403.508 1.283 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611552141 QGPLAEYABZGADC-BEFAXECRSA-N 401.486 1.133 30 10 HDEE COC(=O)[C@@]1(NCC(=O)NCc2cccc(C#N)c2)CCCN(Cc2ccccc2)C1 611794990 FOZOLCDNAPKDGH-XMMPIXPASA-N 420.513 1.972 30 10 HDEE C=CCOCCNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 679474932 OYIXEHBWGVVOMZ-UHFFFAOYSA-N 404.286 1.120 30 10 HDEE C=CCOCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 679648488 KONWYAHFMRQRTL-ROUUACIJSA-N 410.536 1.363 30 10 HDEE CN(C)S(=O)(=O)CCCOc1c(N)cc(C#N)cc1I 699277173 VBGADAFACCQZRO-UHFFFAOYSA-N 409.249 1.405 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCNC(=O)C[C@H]2c2ccccc2)C1=O 725771141 QKYHWTXBDSEZOF-CVDCTZTESA-N 417.469 1.846 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=S)Nc2ccccc2C#N)CC1 727703895 QNQYKWVXEQUFQZ-UHFFFAOYSA-N 415.544 1.985 30 10 HDEE C#CCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)[C@H]1CCS(=O)(=O)C1 729334081 IEXIVEUVBLPXMW-INIZCTEOSA-N 404.488 1.379 30 10 HDEE C#CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@H]1CCS(=O)(=O)C1 730212494 AGCMOJZQIVRDQH-INIZCTEOSA-N 422.304 1.897 30 10 HDEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861036 GVYCNGSXFWOFHX-HDRCJFCASA-N 420.491 1.020 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 732057295 MEYUGWMGWOYCBG-GORDUTHDSA-N 406.446 1.540 30 10 HDEE N#C[C@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCN1C1CC1 732677268 XDHCKQZKPHZYHL-INIZCTEOSA-N 402.499 1.013 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)CCN1C1CC1 732706811 RPHJLIVPILFHJP-KRWDZBQOSA-N 409.490 1.450 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccnc3)c2)CCN1C1CC1 732708128 NKXNLPPRKJPLTB-IBGZPJMESA-N 405.458 1.798 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 734171268 HBCTUSQNNQSHNB-SFHVURJKSA-N 412.534 1.973 30 10 HDEE N#C[C@@H](C(=O)CN1CCC[C@H](C(=O)N2CCCC2)C1)c1nc(O)c2ccccc2n1 741788850 IGSIAQKRZNWLCR-RDJZCZTQSA-N 407.474 1.846 30 10 HDEE C#CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 749285083 ZPWZQTFSCDENLA-LJQANCHMSA-N 400.500 1.931 30 10 HDEE C#CCN1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 755371818 PJRZLIULIYAVMG-CQSZACIVSA-N 413.337 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCCOc1ccc(C#N)cc1 755410728 FFKOPEWWALTXPR-QGZVFWFLSA-N 416.478 1.569 30 10 HDEE COC[C@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 758226038 KJLQDQCQZOFRGR-RWZYYMRUSA-N 412.512 1.408 30 10 HDEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 764430569 JYTGHLDNVPQECE-UHFFFAOYSA-N 416.850 1.953 30 10 HDEE C=C(C)C[C@@H](C)C(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 768009447 CTVSTOJMSVHCPH-GFCCVEGCSA-N 408.567 1.637 30 10 HDEE C#CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)[C@H]1CCS(=O)(=O)C1 770692752 BJZYSCSAUSUPNF-INIZCTEOSA-N 416.455 1.719 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 774167373 XUQLZUMWARVPAB-SFHVURJKSA-N 403.504 1.255 30 10 HDEE C=CCOc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1OC 777346329 VXSDQHALTPHPCM-UHFFFAOYSA-N 404.444 1.738 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)s1 781463057 XMFWREBAYCQYIK-UHFFFAOYSA-N 417.512 1.835 30 10 HDEE C#CCN(C(=O)NCCN1CCc2c(Cl)cccc2C1)[C@@H]1CCS(=O)(=O)C1 785941110 XACCSMOJMBXNTF-MRXNPFEDSA-N 409.939 1.530 30 10 HDEE COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 787884161 QMCOYKUOAKOGFU-CJNGLKHVSA-N 420.897 1.891 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)n1 789324923 YCTUXDMLAYLSGU-OAQYLSRUSA-N 412.490 1.787 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC#Cc1ccccc1 791240181 VIZHWYNQTFCGIP-RDTXWAMCSA-N 407.875 1.963 30 10 HDEE CC[S@](=O)CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 792985972 NBWHXKRICZEPCG-LJAQVGFWSA-N 415.519 1.865 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 794110533 WKGUMASOEDEKAX-OTRWWLKZSA-N 405.520 1.512 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCC2(O)CCOCC2)C1=O 795170537 APXSLXZCPSDQSA-INIZCTEOSA-N 405.520 1.994 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(Cc2cnn(C)n2)C1=O 807941473 OMYZYFARRNDIMI-AWEZNQCLSA-N 406.443 1.231 30 10 HDEE Cc1nc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Br)n1C 808108954 LGSQBFMRLCZZAP-UHFFFAOYSA-N 422.268 1.744 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 809896884 SZYRSONDTCJQGS-LSDHHAIUSA-N 422.530 1.591 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812277918 AQSYNYFMHVTQNB-UHFFFAOYSA-N 402.426 1.086 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cnc21 916944682 KWQXGZDJCRCEOM-GFCCVEGCSA-N 419.228 1.784 30 10 HDEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)o1 1084102543 VAZKIOHILOWMCS-UHFFFAOYSA-N 416.423 1.978 30 10 HDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)NC(=O)OCC)n[nH]2)c1C 1084377972 GTHOMSUVLKGOKQ-UHFFFAOYSA-N 406.472 1.615 30 10 HDEE C#C[C@@H](NC(=O)CN1CCC[C@H](C(=O)OC)C1=O)c1ccc(Br)cc1 1129610058 DFHYKRIPTZXPKQ-LSDHHAIUSA-N 407.264 1.651 30 10 HDEE N#Cc1ccc(C2(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)CCOCC2)cc1 1132134062 AOCLRLGFDNMCBL-UHFFFAOYSA-N 410.474 1.935 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc(Br)c1F 1134056800 VJHNUTMXPDBHPI-BONVTDFDSA-N 401.257 1.907 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)C[C@H]1CS(=O)(=O)C2 1134649044 BVIAXNPNMJKLNI-MAUKXSAKSA-N 404.879 1.595 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1138108220 KOAZQDPOPOYNKS-HOCLYGCPSA-N 403.483 1.803 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)c1 1138194956 GZUYJGOSQKXKIH-XRHLQHRESA-N 419.528 1.163 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 1144574087 OZAVFYHQOVDWBT-LPADLIQXSA-N 401.507 1.419 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1149056212 FZDPEWADPPAAMB-LJQANCHMSA-N 421.501 1.629 30 10 HDEE C[C@](O)(CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1Br 1155763014 NPJBZRWVUBBSEM-GVJQPLCZSA-N 422.279 1.689 30 10 HDEE COC(=O)[C@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC[C@H](C)c2ccccc21 1159568333 GLPKWIRHSUXRBW-RBPQQYTASA-N 411.458 1.985 30 10 HDEE Cn1c(S)nnc1CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1159619897 QMBACDGUDZLFKM-GFCCVEGCSA-N 418.910 1.731 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1162480604 OHPZFTKUIZSXMV-KKUMJFAQSA-N 402.513 1.118 30 10 HDEE Cn1c(=O)[nH]c(Oc2cc(Cl)cnc2I)c(C#N)c1=O 1187208687 SWCJEGZNMZLTCB-UHFFFAOYSA-N 404.551 1.391 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1190781519 SFVVLOCSZHOFLB-LJQANCHMSA-N 401.507 1.589 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1195103009 CZPNIGAARXCIME-GBESFXJTSA-N 419.570 1.620 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1196163379 IMUZGMABYWYTHW-UHFFFAOYSA-N 423.318 1.731 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1229733721 VJSMBISEAXHNIH-OAHLLOKOSA-N 411.499 1.609 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2ccc3c(c2)C(=O)NCCO3)cc(OC)c1OC 1267478243 DGDGJRRYTMAIAE-HNNXBMFYSA-N 411.414 1.829 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286296588 QIQNCLVEGIOCME-AUUYWEPGSA-N 406.483 1.016 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C2CC2)C1=O 1286306806 YJXITWYDNVSPNZ-BJMYLWLSSA-N 401.511 1.471 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286325133 WCKXQEXZFVWQCL-CVEARBPZSA-N 400.483 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOC[C@H]1OC 1286398851 RCIFBFOOFIXWBJ-SJLPKXTDSA-N 401.511 1.321 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN(C)C(C)C)CC1 1286482795 ZMSPVGDELIOVJQ-UHFFFAOYSA-N 401.584 1.729 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)COCCO2)CC1 1286482803 ZVNWSRLGNXLZBY-FQEVSTJZSA-N 416.551 1.195 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCC(F)(F)F)CC1 1286483429 KMSJRMKWQCOFBQ-UHFFFAOYSA-N 412.460 1.445 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556153 OGBVIRLEAOTOSZ-ICSRJNTNSA-N 416.570 1.783 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286628745 KAJLEHMJNALKGR-OAHLLOKOSA-N 424.933 1.445 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286716298 JOOQICYHCNQQGG-QZTJIDSGSA-N 402.499 1.824 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1286738474 ZJYOJKGGUFAYSD-IBGZPJMESA-N 424.553 1.833 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286821043 YXPIFLNUEHEMDH-JKSUJKDBSA-N 423.583 1.715 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1288078980 FGAPJXSDGPIWAP-UHFFFAOYSA-N 416.574 1.182 30 10 HDEE CO[C@@H]1COCC[C@@H]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1290116244 UICVRALITZOOAE-RHSMWYFYSA-N 400.435 1.896 30 10 HDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1nc(O)c(C#N)cc1C 1292269655 HLOZLLIJVGBPBP-UHFFFAOYSA-N 409.446 1.616 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1298020853 MLSKIERACGZJHQ-SFHVURJKSA-N 424.519 1.644 30 10 HDEE C#CCCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300375952 CZROHJONVGGULR-IBGZPJMESA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cccn(CC)c1=O 1300454952 CEKGQZJOBFBFOW-UHFFFAOYSA-N 415.457 1.893 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300491823 IXSZPEOWDSOYDP-YHUYYLMFSA-N 405.524 1.073 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C)COC1 1300579642 YAEFBJBLHHYORD-UHFFFAOYSA-N 419.533 1.952 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccco1 1300647890 CHKGVPWOWCFDSY-NRFANRHFSA-N 424.461 1.512 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1 1300654295 WAHLBEOSPCACQJ-FHERZECASA-N 411.572 1.972 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1301272909 LSDAMKHOXWHGBM-JKSUJKDBSA-N 422.555 1.941 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1301296037 DIEICLIRSXIRML-QGZVFWFLSA-N 421.523 1.741 30 10 HDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(OCC(N)=O)CC1 1301449797 CTRXAQZHMSWDFZ-UHFFFAOYSA-N 407.478 1.788 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1301966588 WBENZBQPRQCUOW-MJBXVCDLSA-N 405.503 1.738 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](c3cccc(OC)c3)C2)c1 1302004121 YBFPHYNCVKAYIF-FQEVSTJZSA-N 413.499 1.393 30 10 HDEE Cc1nc(C)c(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)[nH]1 1303892265 WPMMBGAEJVVPRH-HNNXBMFYSA-N 403.508 1.796 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](C)OC2(CCN(C(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 1304161927 VYJODRBIUGLXAD-CABCVRRESA-N 418.498 1.728 30 10 HDEE CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1306630103 MDPCZIAVGBQOJY-GOEBONIOSA-N 419.507 1.698 30 10 HDEE C#CC[C@@H](CO)Nc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1 1307130397 YVXVXNXADNBGCI-ZDUSSCGKSA-N 400.416 1.978 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cncc(C#N)c1 1309853982 KXSWAJDNNXEXNZ-UHFFFAOYSA-N 404.492 1.977 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](O)Cc2ccccc2F)C1 1312468963 JECZPCVRHAENMW-UXLLHSPISA-N 406.458 1.787 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1 1312472202 YNBNNGSCGLKFET-UHFFFAOYSA-N 408.480 1.108 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1315182770 PDYJUJWRZQTMKV-RWSFTLGLSA-N 404.368 1.639 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1315823240 XCZACUSGQIKRGE-IRXDYDNUSA-N 415.473 1.360 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1316540060 SZTHUIXHXJCNBW-BBWFWOEESA-N 403.870 1.867 30 10 HDEE C=CCO[C@H]1CCN(c2nc(N3CCOCC3)nc(N3CC[C@@H](OCC=C)C3)n2)C1 1320035052 VACCNYMXDGHZOM-HDICACEKSA-N 416.526 1.271 30 10 HDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC(F)(F)[C@@H](CO)C1 1324370814 OAPCBINCEBXUNI-SSDOTTSWSA-N 407.286 1.922 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1339042685 BIRLPOGXNZKLQU-WMZOPIPTSA-N 423.535 1.019 30 10 HDEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 1352672887 YIFUFENBLWJWER-KPENOIPVSA-N 402.428 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1358878507 YAMXJXREJPCXFD-HYVNUMGLSA-N 418.519 1.346 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1358960987 POCAVWMPOXUWNG-MRXNPFEDSA-N 414.491 1.255 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 1358992310 IGKMSHIGWYBQJH-SFHVURJKSA-N 404.474 1.034 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1359020108 RKNAHWDMSLJUNY-KKSFZXQISA-N 400.479 1.580 30 10 HDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1 1359082521 LNSPAEAOBDCQGD-UHFFFAOYSA-N 423.271 1.193 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 1359165300 MELNVFKECFDTLI-AWEZNQCLSA-N 419.498 1.813 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1360478608 MBXXVBUIOADABM-FZFLATATSA-N 420.477 1.529 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)s1 1449261886 GFGIYUZYVCVDPE-PWSUYJOCSA-N 412.455 1.933 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1=O 1452499153 OEGYTVHFKCCOJJ-KSEOMHKRSA-N 423.561 1.928 30 10 HDEE Cc1nc(SCC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c(C#N)c(C)c1C 1453596155 LJNACZOYHNKCCV-NRFANRHFSA-N 418.563 1.703 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(Cc4ncon4)CC3)C2=O)cc1 1456023192 ANKSFJHNTSFHNZ-QGZVFWFLSA-N 422.445 1.628 30 10 HDEE Cc1cc(Br)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C 1457196096 CCSYBVHPABYMHW-UHFFFAOYSA-N 403.236 1.897 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 1460612426 UYYHEVUGTVJAMP-INIZCTEOSA-N 400.870 1.778 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 1462861303 OZCWRGBUBFZSDP-UHFFFAOYSA-N 421.519 1.735 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1 1464341759 OBKUTANEHGXWDA-VEJMJJRHSA-N 422.551 1.673 30 10 HDEE C#C[C@@H](CO)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1468481772 ZYISFOQHMYLAPJ-SFHVURJKSA-N 417.509 1.791 30 10 HDEE C[C@H](CC(=O)Nc1ccc2c(c1)CCNC2=O)/N=C1/NS(=O)(=O)c2ccccc21 1470041141 HBJKOBSIOHQDPU-GFCCVEGCSA-N 412.471 1.428 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2)c1C#N 1470899598 YETACCWJFFCUGI-HNNXBMFYSA-N 417.539 1.445 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OC 1471123658 GSOYJLTTYHXULH-WBVHZDCISA-N 410.492 1.382 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)OC1(C)C 1471647830 JPEXNJDZPZNLAW-HZPDHXFCSA-N 402.304 1.501 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)nc1 1473512941 HQEQTFAZBWTVJH-IEBWSBKVSA-N 408.458 1.731 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CNC(C)=O)cc2)c1 1475482827 BRDLZBYOPCSXEW-UHFFFAOYSA-N 401.488 1.717 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C2=O)cc1 1478423293 ZSMBBCIPCQVZLU-NVXWUHKLSA-N 421.461 1.127 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1492543187 CPTGEEQPMUQBSJ-SFHVURJKSA-N 422.486 1.157 30 10 HDEE Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1492562702 XFPQJBXSYRSLBB-KRWDZBQOSA-N 407.478 1.982 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1495771920 CIJYAUNHWYBGAG-QGZVFWFLSA-N 413.526 1.784 30 10 HDEE CCOCCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1503176793 LVMKXUQJADEDBW-YLJYHZDGSA-N 407.515 1.864 30 10 HDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1503402169 AVWNLFWTDBBIJP-UHFFFAOYSA-N 400.483 1.144 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507631099 MAQXMPFSUNYUNU-GOSISDBHSA-N 405.568 1.658 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)F 1507685914 XHNQACVCEXIALN-UHFFFAOYSA-N 407.421 1.803 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507687098 LDUGSLSUNZHECM-SFHVURJKSA-N 424.505 1.204 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1507758025 GNRNQFVNCAOOGC-BEFAXECRSA-N 407.540 1.011 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507782709 PEBAUJXUKZFKPQ-LBPRGKRZSA-N 422.287 1.921 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507835726 KTZQRNDQRYVHLG-GJZGRUSLSA-N 418.498 1.099 30 10 HDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1507843161 JBDOICVPMNAKRH-UHFFFAOYSA-N 412.494 1.867 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1508037865 FBCBRCKGPPMLQN-CYBMUJFWSA-N 419.345 1.728 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508135737 ORNXUWLEMCRXJY-QGZVFWFLSA-N 403.552 1.898 30 10 HDEE CCn1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)c1=O 1515790809 LMQKUKYEILIUIU-CQSZACIVSA-N 423.477 1.832 30 10 HDEE COCC[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519001015 GIHBZLRWUITGLJ-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE CS(=O)(=O)CC1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1519516838 IUHZNOCKQWRFGA-HNNXBMFYSA-N 421.548 1.484 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O 1520622262 KVNYKUJYPDLGSQ-HFTRVMKXSA-N 415.519 1.459 30 10 HDEE C#CCN(C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1528599886 JXZKPWAZTQUIEY-CVEARBPZSA-N 400.541 1.965 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1Br 1531099085 RMEVCGIFRFHKKH-CYBMUJFWSA-N 412.309 1.961 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 1532371757 DQZWCMMMXZCJDF-UHFFFAOYSA-N 413.459 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1539025579 KESNTWYAZZDZPC-ICSRJNTNSA-N 413.570 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1539035899 VEMHGBJROWWLAA-KGLIPLIRSA-N 415.502 1.380 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539066260 SJBXCHGTQBPKRY-ROUUACIJSA-N 400.527 1.334 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1539194358 XOGJPHXQOBSZJF-UHFFFAOYSA-N 402.524 1.501 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539202738 KPYUQXBDSQMSAU-MRXNPFEDSA-N 404.540 1.407 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1539216438 RTNMYEZJYIVEKM-XLIONFOSSA-N 415.519 1.536 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1539222570 WQRNPOLBWOQJBG-DLBZAZTESA-N 424.567 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539290436 HRKAYSOXKRFYBF-LJQANCHMSA-N 412.582 1.981 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1539361670 ANFRRAGJMFYBMZ-CQSZACIVSA-N 411.453 1.520 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccsc2)CC1 1539430949 PJKVFSKZWJMZLA-NRFANRHFSA-N 415.563 1.990 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1539758138 CZIHZRHGOZJJTQ-UHFFFAOYSA-N 401.515 1.832 30 10 HDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1539859911 YASAUYNLBBOTTK-UHFFFAOYSA-N 421.523 1.571 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540160860 CFGSLXHJXZTWDI-INIZCTEOSA-N 402.524 1.800 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1540869151 CZFMWSBCKSZYML-UHFFFAOYSA-N 414.554 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCOC2=O)C1 1540882791 OLWJMPLWAKSGRR-OAHLLOKOSA-N 406.487 1.040 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1540917065 MVMGRDIPLXAAGZ-CVEARBPZSA-N 414.597 1.962 30 10 HDEE COCC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1541001760 RZHYWLLKAMDSBD-UHFFFAOYSA-N 421.295 1.074 30 10 HDEE N#CC1(CC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCOCC1 1541013418 YLPHHBRRJXGQHH-GOSISDBHSA-N 415.490 1.687 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1541112483 HWJWNLXNMYRHKM-DYVFJYSZSA-N 407.478 1.159 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@H]1COCCO1 1543311739 YJVCBDDUPOFRBK-KRWDZBQOSA-N 400.458 1.729 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 1543334736 CECMUKZGRYWOAW-UZYVYHOESA-N 408.524 1.550 30 10 HDEE O=C([C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1543704637 UKIFJFWNNHEICM-RKDXNWHRSA-N 414.343 1.254 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1548289846 OYBXGTAIZGRNPO-INIZCTEOSA-N 409.450 1.880 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOC(F)F)c1 1555987536 JAUCYIHYFQVHMC-KRWDZBQOSA-N 418.448 1.967 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)c1 1556159167 QHLMQVGXTLXJQW-SFHVURJKSA-N 400.431 1.768 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccnc(C#N)c2)C1=O 1556464672 AKSLDMGVZRNCIT-LJQANCHMSA-N 415.812 1.829 30 10 HDEE C#CC[C@@H]1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1560136130 LPLNLYQUXYGENN-QGZVFWFLSA-N 416.547 1.922 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)nn1 1561675497 NYDGDJQNWONHKW-UHFFFAOYSA-N 404.370 1.748 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1 1561736750 HDXAXBNMHNUVQA-UHFFFAOYSA-N 404.533 1.520 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccc(Br)cc1 1565000197 UKRGUQSTLBZSDZ-QAPCUYQASA-N 422.279 1.050 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCN(c3ccccc3C#N)CC1)C2 1565167186 OPJNDVQWIZQZIA-HTAPYJJXSA-N 412.490 1.748 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 1565814908 NDPHDPIATMNYFK-QGZVFWFLSA-N 409.577 1.625 30 10 HDEE Cn1nc(I)cc1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 1583198788 XVSXKUSWVCVXAW-UHFFFAOYSA-N 407.171 1.495 30 10 HDEE C#C[C@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C1CCOCC1 1585148613 DWGOFUPXHDYXSC-INIZCTEOSA-N 409.508 1.427 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1587719341 ZVIVPGDGXHGIQR-HDICACEKSA-N 416.503 1.714 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1587904407 GMSYARBCOHIFSZ-QGZVFWFLSA-N 411.510 1.352 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1587979162 JPXGPKKVSCPISV-UHFFFAOYSA-N 403.450 1.425 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588025342 XCMKXCDODAPQAC-QGZVFWFLSA-N 421.567 1.577 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CC1 1588779762 BYBUJWYLOVGRDG-UHFFFAOYSA-N 420.970 1.864 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1588801114 VMOSBXICZHDLSH-SFHVURJKSA-N 409.538 1.648 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1589054011 YFIVRCFQBROKNY-UHFFFAOYSA-N 411.597 1.820 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1589110079 PGRZKXWZSRGSDI-QGZVFWFLSA-N 415.567 1.563 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1593730188 UAMGZFPFCQIKNQ-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1594961724 FAAVRYLRXUVIPI-QGZVFWFLSA-N 421.523 1.290 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)NCC3(C#N)CCOCC3)cc(C3CC3)nc21 1607172222 GZYBDYWWQVPVPP-UHFFFAOYSA-N 411.462 1.835 30 10 HDEE CCOC(=O)C1(CC(F)F)CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1607257038 WBXIDXSMGIZAKK-WUKNDPDISA-N 413.421 1.730 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1607278311 JJYFBVUTRLNWFY-IYBDPMFKSA-N 413.430 1.471 30 10 HDEE CC(C)N1CCC(O)(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CC1 1608059890 HUQNRBSWIZDJOM-UHFFFAOYSA-N 412.542 1.654 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1=O 1618481989 HASCKJYKOFPODJ-UHFFFAOYSA-N 409.475 1.512 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OC 1622226470 STMLRDUXAJSVRX-GFCCVEGCSA-N 404.238 1.079 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1622710190 UBXDDMGYQGABLT-CQSZACIVSA-N 417.915 1.810 30 10 HDEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2n1CCOC2 1623340528 XVAKXHJZASPWNP-UHFFFAOYSA-N 415.475 1.324 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc[nH]n1 1625095025 HSYBSFGLUYAFEL-MGPUTAFESA-N 418.425 1.115 30 10 HDEE C=CC1(CC(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CN(C(=O)OC(C)(C)C)C1 1629806100 IWFOIFIILYNZSK-UHFFFAOYSA-N 415.494 1.770 30 10 HDEE C#CC[C@@]1(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CCCN1C(=O)OC(C)(C)C 1632439798 ZXZRSGZHKZAORI-VGSWGCGISA-N 419.522 1.676 30 10 HDEE COC(=O)C1CCN(CCCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1632780577 XSPNHKBNRXWAPI-QGZVFWFLSA-N 424.542 1.965 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)CC1 1633559102 GZKCQMIMTFZUJI-UHFFFAOYSA-N 418.559 1.999 30 10 HDEE CC(C)(C)OC(=O)C1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 1633843722 BDDMMBBDOZMUSP-UHFFFAOYSA-N 422.503 1.480 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 1634592159 GOAKBRHJMKKTSA-HNNXBMFYSA-N 404.851 1.081 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)CC3(C#N)CCOCC3)C2=O)c(OC)c1 1634970912 DJZUIIDBWHOMKP-QGZVFWFLSA-N 401.463 1.631 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1ccc(Br)cc1 1636562984 QYCAODQDEJQSEZ-UONOGXRCSA-N 400.298 1.586 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CO)Cc1ccc(C)c(C)c1)c1cc[nH]n1 1637352844 SCPUXGVRLAWDGM-MRXNPFEDSA-N 402.451 1.030 30 10 HDEE COc1cc(N)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1S(C)(=O)=O 1637929384 UKWFGIOEIHKYDV-CYBMUJFWSA-N 416.459 1.241 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)c1 1639829296 HYKISIKBUIAIQV-UHFFFAOYSA-N 424.475 1.200 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1639840214 KAELANQCMPRCOD-INIZCTEOSA-N 423.491 1.194 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(OCc4ccccc4)ccc3O)C[C@H]1CS(=O)(=O)C2 1645267973 VRODFUHBETTYNW-KKSFZXQISA-N 412.467 1.982 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCn4nc(C(=O)OC)cc43)cc2C1=O 1646541791 YUQZPAFUGKTIKN-HNNXBMFYSA-N 408.414 1.717 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 1650729103 AEFURFOREJKSJP-KRWDZBQOSA-N 424.505 1.804 30 10 HDEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2cncc(C#N)c2)c1 1652271450 MJMTVXFAOMURMU-UHFFFAOYSA-N 407.459 1.743 30 10 HDEE CCN1CCN(C2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1652628849 MKOHXEZXFXUNNV-MRXNPFEDSA-N 415.925 1.413 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(N[C@@H]4CCOC4)C3)C2)C1 1652691275 YKPNLSNSVLBODJ-KXSVDRQTSA-N 404.511 1.363 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 1654184670 YOFUEESWPPJVCC-KKSFZXQISA-N 401.463 1.652 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1654524175 VWADRNWQGRMDSW-AZUAARDMSA-N 418.563 1.517 30 10 HDEE N#Cc1ccc(N2CC[C@@H](N3CCC(S(=O)(=O)N4CCCCC4)CC3)C2=O)cc1 1654881408 BKTZKDVYAJQJTQ-HXUWFJFHSA-N 416.547 1.944 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(Oc3ccccc3)cc2)c1=O 1656732253 IZTHKFWMXQJPSL-UHFFFAOYSA-N 406.398 1.305 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 1659646580 DDOHGKRXWMYMDM-GOSISDBHSA-N 406.552 1.811 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OCC 1662024020 MLLKYDVTOJBHIX-ZDUSSCGKSA-N 404.510 1.113 30 10 HDEE N#Cc1sccc1N1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)CC1 1663098113 BDQMEJKNEHZTDM-AWEZNQCLSA-N 405.501 1.912 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1 1667529166 SDBJRMANOIRYCP-ZDUSSCGKSA-N 411.480 1.090 30 10 HDEE C=CCN(C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC)[C@@H]1CCS(=O)(=O)C1 1669850817 HLHHAJWUYPWGHO-LLVKDONJSA-N 401.872 1.655 30 10 HDEE COc1cc(C(N)=O)ccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672248307 ADDBXUNQWGGYEX-KRWDZBQOSA-N 407.430 1.588 30 10 HDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672351945 AJDIFSIBRRZJEO-MOPGFXCFSA-N 423.517 1.605 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1scc(C(=O)OCC)c1C(=O)OCC 1679936729 ICQGKPBTJKEGKZ-UHFFFAOYSA-N 418.493 1.824 30 10 HDEE C=C(C)[C@@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)c1ccc(F)c(F)c1 1681783344 IZUXIRXHFAWDFF-LJQANCHMSA-N 408.449 1.962 30 10 HDEE C[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ncnn21 1683827092 BRAXNVKHFIYTJZ-GUYCJALGSA-N 405.466 1.855 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H](C)CN(C)CCCN(C)C)CC2)c1C#N 1687025928 XGINBCLJIVYMTP-HNNXBMFYSA-N 407.588 1.427 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1687806222 AKQDVLANUMTJRZ-RTBURBONSA-N 406.552 1.187 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1690087110 KOGLQBCHBNILBY-VWKPWSFCSA-N 419.526 1.660 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nc(C)cs2)CC1 1690110190 BGBYLAKHDRDKKT-UHFFFAOYSA-N 415.567 1.765 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2C[C@H](F)C2)CC1 1690110667 VTHAHSWMQINXMX-QAQDUYKDSA-N 411.485 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCC)CC1 1690143952 HNUVBQZOWKLWTL-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1 1690238947 PNZHFRKPFUOGLC-NTDBWNAOSA-N 421.542 1.650 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC)C1 1690246217 SOBNLHQTOFQTHX-OWSLCNJRSA-N 403.527 1.726 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690278964 ZFICOIUWTWRPMA-CALCHBBNSA-N 419.507 1.333 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CC1 1690366162 RXPLNTIANJIZEI-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690451318 CZIDPQCXXJYXFS-JKSUJKDBSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690664338 PIRIOBFMCCJDQU-GASCZTMLSA-N 407.833 1.601 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc2c(c1)OCO2 1690667976 OGQUOXSFXBMDEK-UHFFFAOYSA-N 408.462 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[C@H]21 1690728994 CQUJODNJNJGBSR-DLBZAZTESA-N 404.540 1.729 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1697610572 VFOMSJMKIOQQLS-CQSZACIVSA-N 422.445 1.690 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705533951 VEOUFFHULYDMDT-PKOBYXMFSA-N 414.554 1.722 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705564950 FZCJNTYUBGATKS-QGZVFWFLSA-N 415.519 1.624 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1705576076 FEEMQNRICLLRDY-UHFFFAOYSA-N 419.466 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSC(C)C)CC1 1705639966 ZYVRVITVTYLGMS-MRXNPFEDSA-N 411.597 1.077 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncccc2C)CC1 1705643807 AQHFSKUFDPTLHF-UHFFFAOYSA-N 423.521 1.134 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)C)CC1 1705651197 NKKBSTKKUFLKCA-UHFFFAOYSA-N 400.527 1.412 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705729062 JUKJWMHFTVZXAB-DLBZAZTESA-N 407.515 1.393 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1705739369 DQNNRYPBSBFSQR-GOSISDBHSA-N 418.542 1.346 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705830047 IMEIPJATGMJFCQ-OALUTQOASA-N 405.543 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@H]1CCOC1 1705898493 NPNATVBQBBNSLN-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705902743 JGJVBIXZDKVYNB-KRWDZBQOSA-N 418.542 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCNS(C)(=O)=O)C1 1705918802 QLOGATFEWYFTSB-OAHLLOKOSA-N 421.523 1.284 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1706749744 CDKIABJSSZQBHI-CQSZACIVSA-N 408.528 1.106 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1708153408 WYPXTYWZXDOOPI-LPHOPBHVSA-N 422.489 1.741 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1709054189 OYNTUYWWRMEKKG-LAQRGFTBSA-N 412.494 1.014 30 10 HDEE CN(CCc1cnccn1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1711182676 NREOJDQLYWVTGF-UHFFFAOYSA-N 406.450 1.382 30 10 HDEE COc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1711993236 FJIFMHJCVZCXTD-SCLBCKFNSA-N 422.486 1.387 30 10 HDEE C=CCOCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1718037765 LQCXKRWKUHDJHW-QAGZKXQMSA-N 404.507 1.125 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1722352590 OUJACYNKSGTUAQ-MRXNPFEDSA-N 416.503 1.343 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1722402269 KOZRVRJKXADXOR-OAHLLOKOSA-N 418.523 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cnn(C)c2C)CC1 1722447494 MAWQERQGQBMWFP-UHFFFAOYSA-N 411.554 1.923 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722688798 LTBIXFBQZFIOLC-MOPGFXCFSA-N 422.533 1.933 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)(C)C)CC1 1722692491 NUPNHPLVCWKYCX-UHFFFAOYSA-N 419.574 1.419 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1722781515 HJHNVPPTQBAKGI-UHFFFAOYSA-N 404.421 1.767 30 10 HDEE CC(C)Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1723304859 OLSQAMXABNVDCJ-UHFFFAOYSA-N 406.512 1.508 30 10 HDEE COC(=O)N1CCC(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1729784567 LUBBAVJRSBABLK-UHFFFAOYSA-N 424.509 1.658 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1740632948 YTLVVFYGVIPMGO-JOCHJYFZSA-N 413.522 1.437 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C1CCCCC1)N(C)C 1740641313 HDUAFDAHVCKDOX-HXUWFJFHSA-N 410.566 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnn(C)n1 1740647898 YXUATAXCNHTHNF-UHFFFAOYSA-N 412.404 1.581 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCC=C)CC1 1740699593 MRQVZKUOWLZXRK-UHFFFAOYSA-N 408.506 1.223 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccncc2)CC1 1740704501 PIBAWTMJQMZGTD-UHFFFAOYSA-N 417.517 1.887 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCO1 1740739652 XIALMAIPKQDRQS-VXGBXAGGSA-N 422.349 1.412 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1741798421 IPBZZEMMLMMPDY-GFCCVEGCSA-N 411.919 1.623 30 10 HDEE COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1748561767 FPLQKGQGZPOKEA-CHWSQXEVSA-N 424.502 1.680 30 10 HDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCOC 1748828582 HLEBXACSANLDEA-UHFFFAOYSA-N 414.535 1.656 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1748846902 MCRGWOTWGMNLKV-KRWDZBQOSA-N 410.474 1.929 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(C)C)C(C)C 1748891755 FKGOLZVKNYLXJU-IBGZPJMESA-N 419.595 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(SC)CCN(C)CC2)CC1 1749004420 IPLPMVZZZZEDRT-UHFFFAOYSA-N 404.584 1.380 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)C1 1749706065 MYWUAEWLKBNFNF-KRWDZBQOSA-N 418.523 1.157 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1750379314 DUNIYXCDFAKMTK-LJQANCHMSA-N 418.498 1.878 30 10 HDEE CC(C)OCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1751055067 NPHUZZOUVATNFW-GOSISDBHSA-N 411.510 1.800 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1760113565 ACPNFJGQLJDTNY-APWZRJJASA-N 403.490 1.980 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760158798 RNUGNDCYTLBSKV-HXUWFJFHSA-N 411.506 1.920 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1760163137 NCZPKRQIJHJABD-OAHLLOKOSA-N 400.870 1.210 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760188845 QLJPGOOVNNRLLI-MSOLQXFVSA-N 422.551 1.739 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)CC 1760202134 UEKUAXAFSFVWHV-UHFFFAOYSA-N 403.446 1.145 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1760456239 KIFYNZSQLWLEBI-HNNXBMFYSA-N 412.560 1.303 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CCO1 1767726793 SEMCQVGCBNPHAT-MRXNPFEDSA-N 412.475 1.395 30 10 HDEE CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767795197 KZSSCDKRUWVYTO-OAHLLOKOSA-N 414.901 1.306 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1768140388 TZRAHZKAMUMOGV-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1768633304 DVQSXYAQTLAMLQ-QGZVFWFLSA-N 420.477 1.443 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1Cc1ncn(C)n1 1769841285 AVGKVZGLEDJAJH-UHFFFAOYSA-N 401.862 1.537 30 10 HDEE COC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770934858 ZDZUXAAZJNECTE-KOFUXLBCSA-N 416.482 1.129 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1771368235 BYTRRZWWWBVVRV-WRHNGFHOSA-N 404.540 1.555 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1772877298 MSCNGWPRYNAKST-UHFFFAOYSA-N 407.478 1.154 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@@H]1CCN(C)C1=O 1848777588 OSGFGYAMTCBEJN-LJQANCHMSA-N 419.547 1.966 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1849981105 DZCDDUHNBWFKPX-SFHVURJKSA-N 411.502 1.806 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c(Cl)c1 1851348797 KJJLCSDBFWKZBM-KRWDZBQOSA-N 412.833 1.731 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4CS(=O)C4)cc3)CC2)cc1 1851879831 ANEDZDHVYFGBER-UHFFFAOYSA-N 422.510 1.838 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1cccc(F)c1 1852497160 KLFMBGLVCVUCKJ-UHFFFAOYSA-N 406.425 1.593 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CNC(=O)c3cc(-c4ccc(OC)cc4)nn32)CC1=O 1852763380 UIQQWLCYKVWOGX-AUUYWEPGSA-N 410.430 1.378 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)cc1 1853585739 DYMSABNLDOSQID-LJQANCHMSA-N 418.538 1.826 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C1=O 1853675371 DQCZCPZGAGGKRX-SFHVURJKSA-N 424.892 1.960 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C1=O 1854156697 CTTHPVICTPQIHB-ZWKOTPCHSA-N 409.490 1.031 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CSCc2ccccc2)C1=O 1854186373 NZNAOGKCFMETLR-QZTJIDSGSA-N 401.532 1.766 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1=O 1854242275 NKVHIRDCZAUOFU-QGZVFWFLSA-N 416.453 1.026 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1=O)[C@@H]1CCN(C)C1=O 1854330828 QHNBNOVIFRJECN-MOPGFXCFSA-N 410.474 1.636 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854338964 SFAZCCYVOHWOLP-ZBFHGGJFSA-N 412.446 1.131 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3cncnc3)C2=O)CC1 1854745812 DPDQDBLQMOJTLT-SFHVURJKSA-N 405.462 1.087 30 10 HDEE COCc1cc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)n(C)c1 1854946333 AAFMRBSUWQNAGO-WMZOPIPTSA-N 401.511 1.222 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2C[C@@H](C3CCN(CCCC#N)CC3)CC2=O)C1 1855060978 SJDNYZOBKDELND-ROUUACIJSA-N 404.511 1.856 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1 1855354650 NJMVMFARFNCRMO-OAHLLOKOSA-N 409.483 1.083 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1=O 1855375709 SUNMRSDBRPEKEH-WMZOPIPTSA-N 400.479 1.613 30 10 HDEE CCOCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855634929 YMAPMABEWXHNCQ-QGZVFWFLSA-N 419.503 1.371 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(Cc4ccncc4)CC3)C2=O)cc1C#N 1855652437 WSBUXEZHSSNZRS-NRFANRHFSA-N 403.486 1.821 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)CC1 1855938705 BMHBQLROPIRVOE-INIZCTEOSA-N 412.490 1.255 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(Cl)cc(Cl)c2)CCN1S(=O)(=O)CC#N 1856061369 CNBPCQDAURDGOA-UHFFFAOYSA-N 404.275 1.910 30 10 HDEE C[C@H]1CN(Cc2nncn2C)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856609915 XTRBWOBBFOVGKS-AWEZNQCLSA-N 401.430 1.911 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857064019 OFSXLIHDRLLFLS-CQSZACIVSA-N 424.910 1.598 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857240108 JSYYZHUKARYCNR-LPHOPBHVSA-N 401.482 1.852 30 10 HDEE CC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)CC1 1857286524 BVSOHRNJNMSYRO-HKUYNNGSSA-N 400.523 1.636 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 1858422182 OAECUDNYBNHKIL-MRXNPFEDSA-N 413.455 1.614 30 10 HDEE CCCCCCCCC(=O)Nc1nc(N2CC(O)C2)nn1[C@@H]1CCS(=O)(=O)C1 1870003351 IYBDHMDNSUDNCW-CQSZACIVSA-N 413.544 1.508 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870142981 QAUOSRGDISSSPZ-LLVKDONJSA-N 404.361 1.901 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCc3cnc[nH]3)ncnc21 1875230349 VQBXUYYYUMNUGL-UHFFFAOYSA-N 422.493 1.299 30 10 HDEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCCN3CCC(C#N)CC3)n2)cc1 1889958387 YEGCJTXDEISKIG-INIZCTEOSA-N 409.490 1.832 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ccc(-n4cccc4)nn3)CC2)cs1 1890720023 XQHWNUSZUJMOPT-UHFFFAOYSA-N 423.502 1.602 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2)c1 1891147607 ZWOCVSYNVUJCCJ-QGZVFWFLSA-N 406.442 1.996 30 10 HDEE CC1(C)OB(c2cc(N3CC(CNC(=O)C(F)(F)F)C3)ncc2F)OC1(C)C 1903634327 OBXGVUMKAGTDEU-UHFFFAOYSA-N 403.185 1.635 30 10 HDEE C=C(Cl)[C@@H](O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1990706738 SXJIXTXKKKWZSB-KBPBESRZSA-N 405.856 1.284 30 10 HDEE N#CC1CCN(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)CC1 2118165848 BIVABEYUBCNDOC-UHFFFAOYSA-N 418.519 1.858 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CC(C#N)C2)[C@@H](C(F)(F)F)C1 2174771782 RIGWHKMOXVMUIH-RYUDHWBXSA-N 412.434 1.322 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1(C)C 2174785755 CCFYFJGFXLESJS-UONOGXRCSA-N 401.529 1.918 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CN(S(=O)(=O)c3ccc(C#N)s3)C[C@@H]1CCO2 2175162311 FEJWQPKNWKNNBA-SJCJKPOMSA-N 413.521 1.924 30 10 HDEE C=CCN(CCOc1ccc(S(N)(=O)=O)cc1C(=O)O)C(=O)OC(C)(C)C 2184492908 XSWXIVHRZJQDMS-UHFFFAOYSA-N 400.453 1.834 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2196369875 XYYQBTPUKMZJOQ-GJZGRUSLSA-N 400.545 1.996 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN([C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2234454792 ZCMORNDQVWXQKR-PMPSAXMXSA-N 400.545 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243697196 HHVCIXXTWCJJCT-QLFBSQMISA-N 406.288 1.372 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247925643 FLCVAIACYGIRDY-UHFFFAOYSA-N 424.303 1.538 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CO)C3CC3)cc2Cl)OC1(C)C 2267355570 VCPVQIFZUWXBJV-LLVKDONJSA-N 407.750 1.750 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720415 AZWJVYOKLLELED-VXGBXAGGSA-N 405.372 1.456 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@@H]3CCO)sc2Cl)OC1(C)C 2281964613 ACMLYTBZIOFXBT-NSHDSACASA-N 401.721 1.924 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1(C)C 2282331917 TWUGKEZBUMGXNB-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282415150 CPRSCRKJXSYBNZ-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC34CCN(CC3)C4)cc2Cl)OC1(C)C 2282417186 GESZZFJUFXYNGR-UHFFFAOYSA-N 418.777 1.827 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@H]2CCNC2)OC1(C)C 2282499373 ONUPSGPNVJACCJ-ZDUSSCGKSA-N 400.375 1.466 30 10 HDEE CC(C)[C@@H](CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503084 ULSRAGUJTBKYER-GFCCVEGCSA-N 404.363 1.269 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@](C)=O 2282507295 FRWKTJCNJMWBKG-CANCMXDXSA-N 401.359 1.172 30 10 HDEE CCc1nc(C(=O)NC[C@@](C)(O)CSC)c(B2OC(C)(C)C(C)(C)O2)s1 2282522494 LJUMEUQJIZRJPH-QGZVFWFLSA-N 400.375 1.849 30 10 HDEE CO[C@@H]1CN(C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282629086 RRGSTCWMUQAKRW-NWDGAFQWSA-N 400.737 1.760 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)CS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282638193 JOUFGJWLZMQYKK-VIFPVBQESA-N 402.347 1.071 30 10 HDEE CCN(CCN(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838849 VMIXMAAPIPJZBH-UHFFFAOYSA-N 403.379 1.156 30 10 HDEE C[C@H]1[C@@H](O)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844359 CEEQYYRHWOCNNT-JSGCOSHPSA-N 401.359 1.722 30 10 HDEE CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282860118 VQRAFAYUMIHZQZ-ZIAGYGMSSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@@H](C(=O)O)C2)OC1(C)C 2284392730 AVFAQQSLGJMLLM-TXEJJXNPSA-N 401.315 1.330 30 10 HDEE CCN(C[C@H](C)C(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284402231 HWQGDZXXSSQSKT-NSHDSACASA-N 403.331 1.779 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC(C2OCCO2)CC1 2285204228 RVJXNHAIKQKZKA-UHFFFAOYSA-N 402.300 1.914 30 10 HDEE CCc1nsc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n1 2288804728 CNRVXHDINXRKAJ-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1c[nH]c2ccccc12 2330742789 VBXWERMADAYDHZ-UHFFFAOYSA-N 413.507 1.896 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365242188 WWIGSGJZCPLPEM-SCLBCKFNSA-N 405.513 1.976 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2367785500 DWCGVTMTCZULSS-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(NC(=O)OC(C)(C)C)CC(OC)C1 2367790258 GKGXVAUGKFNZLY-HVEKOLDVSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367817009 JPMOJTQDVZTQRR-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE N[C@@H](C#Cc1ccnn1C1CC1)[C@H](O)c1ncc(I)s1 2367872103 YFVYGVHTHZAOIC-JQWIXIFHSA-N 400.245 1.692 30 10 HDEE C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(COC(C)=O)=C\[C@H](OC(=O)[C@@](C)(O)CO)[C@@H]12 15059068 SQQDHMIYFXZFNM-ANOSXXPISA-N 408.447 1.359 30 10 HDEE CC(C)N(C[C@H]1CCCCN1CCO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089634 OVKNBTREHAUPOY-GOSISDBHSA-N 404.364 1.837 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)C1 219962971 YZQWJYIVYVNPEU-INIZCTEOSA-N 410.409 1.409 30 10 HDEE C[C@@H](Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)C(=O)N(C)C 253577911 XQODVECSMNQEMM-BQNBSLLUSA-N 408.400 1.636 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)CC1 430230088 GVSZUHJWXTZDPO-HSZRJFAPSA-N 413.566 1.671 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](N4CCCS4(=O)=O)C3)cc2C1=O 434008763 QSKNCRZCRJFVHQ-HNNXBMFYSA-N 417.487 1.109 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(C#N)oc4C)CC3)C2=O)n(C)n1 436066847 RMGCHMNCVXJLDR-SFHVURJKSA-N 410.478 1.455 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)[C@@H](C)O1 438403701 VHZCWVDRUUQNOL-BZUAXINKSA-N 405.520 1.983 30 10 HDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 441786302 IRYDQNOQOKFSLH-INIZCTEOSA-N 418.461 1.927 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)ccc1OC(F)(F)F 443281092 ZGWDZJMOYVIGAX-CYBMUJFWSA-N 411.258 1.921 30 10 HDEE COC(=O)CC1(N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS(=O)(=O)CC1 447884287 WVFJIJMWLJOLAW-QGZVFWFLSA-N 419.503 1.154 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)CC1 448533470 WDTLXXMIKXFSGG-HNNXBMFYSA-N 402.495 1.148 30 10 HDEE COc1cc(CNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)ccc1C#N 460154985 FNVDBARFGWMTIV-UHFFFAOYSA-N 422.489 1.500 30 10 HDEE CN1CCN(C(=O)c2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)CC1 465517236 PAVZSTIRHGTLGR-UHFFFAOYSA-N 421.501 1.824 30 10 HDEE COC(=O)[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 468212149 NCCBXDIQBPBNPX-CVEARBPZSA-N 419.503 1.371 30 10 HDEE CCCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 470459125 IDKLBAOZWMVUGN-UHFFFAOYSA-N 415.519 1.928 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1C#N 471682545 JOHRQJFLDQXFFP-SJORKVTESA-N 407.474 1.824 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1C#N 471970865 ZYVSQQHPOMZKOV-UHFFFAOYSA-N 416.449 1.407 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC(C(=O)NC)CC2)c(C#N)cn1CCOC 481464884 IMVMQXYBWXHBQI-UHFFFAOYSA-N 405.455 1.173 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 502027771 ABRGFZNLZZGMOS-LEWJYISDSA-N 424.526 1.577 30 10 HDEE CN1CCC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 503711730 AMUFGLQACPYHJE-UHFFFAOYSA-N 419.551 1.306 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 506485844 MYPUYAVCYUCGDP-OAHLLOKOSA-N 404.430 1.872 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 518388481 RTVUSFVYCWYWQJ-LJQANCHMSA-N 406.442 1.817 30 10 HDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)CC3(C#N)CCC3)C2=O)c(OC)c1 519672546 SIUCTSAUNUNTCP-MRXNPFEDSA-N 407.492 1.418 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CS(=O)(=O)C2CCCC2)cc1 522209139 MUVLIGQRUUSOPZ-INIZCTEOSA-N 407.517 1.756 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@@H]3S(C)(=O)=O)cc2C1=O 532119098 ZYYQKRVRDBKGGO-SJORKVTESA-N 404.488 1.896 30 10 HDEE C[C@@H]1C[C@@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 542303704 OMQLLEQZFPWQTM-SJORKVTESA-N 420.535 1.779 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccccc3CN3CCNC3=O)CC2)n1 546923617 IJKBHMGTMCLHHT-UHFFFAOYSA-N 405.462 1.833 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCCc3cccs3)n2CC)CC1 558833296 UWAQSHXLNALLAN-UHFFFAOYSA-N 402.568 1.959 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 558964627 JYBAQKWBCPQNKJ-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCN(c4nccn(C)c4=O)CC3)c2c1 561261984 LOKJWNSQQBVPIC-UHFFFAOYSA-N 406.446 1.544 30 10 HDEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 570648553 JFZCMDNJRNAWJZ-QGZVFWFLSA-N 417.477 1.925 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CSCC(=O)OC)c2)CC1 609845145 YJIPOJMNKXDCQH-UHFFFAOYSA-N 420.535 1.545 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1cc(Br)cc(C#N)c1)CC2 610657969 NRDQXQHKRMMYQA-UHFFFAOYSA-N 423.292 1.644 30 10 HDEE C=CCOCCNC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 679586889 WZMOWEBCBJNSQF-GOSISDBHSA-N 412.508 1.470 30 10 HDEE C=CCC[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 703952285 WCRIQUOEKPBKND-HNNXBMFYSA-N 408.476 1.648 30 10 HDEE COc1nscc1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 714377395 CBZLVIYQRJKMKI-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727417647 IIPJGHWQSHBDAO-UHFFFAOYSA-N 420.494 1.266 30 10 HDEE N#C[C@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCN1C1CC1 732673655 CXKOLIPDZQCHCR-QFIPXVFZSA-N 410.566 1.971 30 10 HDEE C#CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 744398952 UQZBNVSNEGYHSC-LJQANCHMSA-N 414.531 1.858 30 10 HDEE COc1ccc(CNC(=O)CON=C(N)c2ccc(N3CCC(O)CC3)cc2)cc1 744442477 HMRXGTDLMZDTOD-UHFFFAOYSA-N 412.490 1.610 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/Cc2ccc(OC(F)(F)F)cc2)NC1=O 745977473 RLDFMXKOPXQMRG-ZDUSSCGKSA-N 418.441 1.741 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)cc1C#N 747494369 IRKAZSGLRPMNCM-UHFFFAOYSA-N 409.381 1.245 30 10 HDEE C[C@@H](CC(=O)NCCc1cnc(C2CC2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 756086026 ZYNYBLAVWROZKN-ZDUSSCGKSA-N 413.503 1.530 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760661402 COLHLCDIBJTZDE-HZPDHXFCSA-N 401.463 1.990 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCOC4=O)cc3)CC2)n1 760689749 MGAJENZAODMESU-UHFFFAOYSA-N 406.446 1.942 30 10 HDEE CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 761848361 GVWXNEGTWQGYEE-CABCVRRESA-N 406.483 1.904 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCF)cn1 767734276 LPCUQBWYPWSNHO-CQSZACIVSA-N 411.503 1.449 30 10 HDEE CC(C)CN(C(=O)COC(=O)/C=C/c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 775075663 QDLYIXASRPJVIK-LKGOPFMKSA-N 404.488 1.786 30 10 HDEE C=C(Br)CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776037982 AZISKCOPQFCHLH-JKSUJKDBSA-N 407.312 1.793 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)O)s2)c1 779440852 NLFYBBHTRCUMNE-LLVKDONJSA-N 407.473 1.552 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 781596204 XWCHSNWZVZRVCJ-MRXNPFEDSA-N 417.418 1.934 30 10 HDEE Cn1nncc1S(=O)(=O)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 781727713 CYPNYESZFONAOH-UHFFFAOYSA-N 401.379 1.737 30 10 HDEE C=C[C@](C)(CCOC)C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 782480644 CHALVDTYHAEEPL-HXUWFJFHSA-N 424.519 1.538 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(Cc3ccncc3)CC2)n1 788881229 PNLPABQRTDLRDU-UHFFFAOYSA-N 410.522 1.734 30 10 HDEE C[C@@H](OC(=O)CN1CCOCC1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 790739145 FSOQBTFCKGBKCH-GFCCVEGCSA-N 405.476 1.618 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)[C@@H](C#N)C1 796491452 GSQXUGGCSLDGEK-GJZGRUSLSA-N 414.462 1.088 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)n1cnc(C#N)n1 798397618 JCWVESDEYBJRCO-VVDDJIQESA-N 401.452 1.162 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802440566 TYMJINGHSMRJDV-LAUBAEHRSA-N 411.462 1.479 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ccc(C(=O)CC)cc2S(N)(=O)=O)n1 804673783 KJCFPSAOZFRFNR-UHFFFAOYSA-N 404.492 1.409 30 10 HDEE COCc1nc(Cl)cc(NN=Cc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)n1 814978518 JYGRNHOFTLTKKK-LBPRGKRZSA-N 412.903 1.895 30 10 HDEE CN(CC(C)(C)C#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 817618184 XSXIWORGTNBHAC-INIZCTEOSA-N 409.508 1.724 30 10 HDEE C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116189121 CASGNWPRWBXNBV-KZGCDQBZSA-N 404.492 1.653 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(C[C@@H]3CCOC3)CC2)cc1Br 1136399570 DTDUXIWWPHWOEZ-AWEZNQCLSA-N 408.296 1.880 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)C[C@H](C)O1 1152067859 HUWBVEVWBGBGMU-IRXDYDNUSA-N 420.535 1.156 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c1 1154475862 RZPNLPLLEGBIMD-UHFFFAOYSA-N 420.491 1.098 30 10 HDEE Cc1cc(C#N)cc(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)n1 1185378758 ZSWZXINKAQBAOE-UHFFFAOYSA-N 400.460 1.771 30 10 HDEE COc1ccc(NC(=O)CSc2cccnc2C#N)cc1S(=O)(=O)N(C)C 1189337218 DFKADTLJNMIGLM-UHFFFAOYSA-N 406.489 1.943 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[S@](=O)C[C@H]2c2cnn(CC)c2)c1 1193964883 UZZOYYDKDKGCPI-YRVHBCJASA-N 413.503 1.338 30 10 HDEE C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336481 JYVGWVVGDIOLLA-WLOPVIGXSA-N 423.363 1.579 30 10 HDEE COCC(=O)N1CCc2cc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)ccc21 1203715807 DJGRITXMLWXVHH-UHFFFAOYSA-N 420.473 1.843 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1 1210598214 WIQYWLIIUHVMFJ-CYBMUJFWSA-N 404.471 1.972 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 1222702769 SVACJWILCPUNIZ-UHFFFAOYSA-N 400.523 1.687 30 10 HDEE CN1CCn2nc(C(=O)N3CCCSC3=Nc3ccccc3)cc2S1(=O)=O 1264083647 FGVZCUMZVFXGDE-UHFFFAOYSA-N 405.505 1.784 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1264779198 ZMVIYGPMTFUVRB-GOSISDBHSA-N 408.524 1.032 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1275549659 RQNDLKPDZQZIJI-HNNXBMFYSA-N 403.483 1.633 30 10 HDEE C#CCC1(C(=O)NCCN(CCOC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCCC1 1281327157 OLDMBQVTGZFWCL-RMMWZPCPSA-N 402.535 1.975 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286356217 LYULJFUPPXNHCK-UHFFFAOYSA-N 424.480 1.806 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCOC(F)F)CC1 1286490291 PPMISJFHGYGPQL-UHFFFAOYSA-N 420.464 1.879 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286505720 ADZSTVDBCYJADJ-HOTGVXAUSA-N 414.597 1.798 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1286701189 WLOBEOMAYLEGJD-AWEZNQCLSA-N 403.499 1.534 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286788290 UFJWOPJMTCUONH-DLBZAZTESA-N 412.494 1.527 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCSCCCO 1288520901 WLYGEUCGPFYPFX-ZDUSSCGKSA-N 406.512 1.860 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1291775843 MQWBTMUZITVNEP-CVEARBPZSA-N 415.556 1.614 30 10 HDEE C#CCN1CCCN(C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1293716373 YSANCCPLZNGYPK-INIZCTEOSA-N 401.511 1.803 30 10 HDEE CCn1cnnc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1295968447 HIPXFEHAIYKHFI-RBUKOAKNSA-N 418.477 1.420 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)c1 1297826801 MRTMFKMAMOCYMY-SFHVURJKSA-N 411.487 1.831 30 10 HDEE C#CCN(C(=O)C[C@@H]1CCCCO1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299454940 SNURPRRKOAFUNF-NHHWGVFUSA-N 400.519 1.822 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1299752524 VGJSJFKDIKAZBB-FQEVSTJZSA-N 407.482 1.899 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1300358171 LKCFJTJRFBKWKJ-NRFANRHFSA-N 408.510 1.968 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1300364698 LVGUXDMHSWJAPP-DLBZAZTESA-N 407.540 1.089 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1300498150 HSNIMFJHESNIGD-IAGOWNOFSA-N 400.504 1.471 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C 1300532000 KCOBEALRICJGRQ-VQTJNVASSA-N 420.517 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCn2ccnc2C1 1300559215 LVADCIFCJCCNDH-WMZHIEFXSA-N 422.533 1.852 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1300754656 UZNDAQZDXHSXOA-UHFFFAOYSA-N 411.535 1.701 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1300801999 YVSJQECWUCBAJY-DNVCBOLYSA-N 400.508 1.695 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1301187783 BVPKCVAURLOIRZ-JKSUJKDBSA-N 410.544 1.706 30 10 HDEE C#CC1(O)CCN(C(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)CC1 1301220155 XCHZPEKGURMOKQ-UHFFFAOYSA-N 406.523 1.905 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N(C)C)C1 1301565612 DYTIHRXOPJBUIC-INIZCTEOSA-N 404.540 1.893 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)[C@H](O)C2CCCCC2)ccc1F 1301842157 PGOQTQFAOUVEHK-FUHWJXTLSA-N 414.499 1.322 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1301987889 BDMRPJBNBBTGQP-QLFBSQMISA-N 421.523 1.943 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)c1 1302004122 YBFPHYNCVKAYIF-HXUWFJFHSA-N 413.499 1.393 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCO)CC1 1303942370 RBIAAUXUKCOSKN-INIZCTEOSA-N 409.556 1.863 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1307603740 KBAXWYQMSVYBCB-CYBMUJFWSA-N 401.891 1.840 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1313096556 CBPFVPTXALFSQS-ROUUACIJSA-N 407.536 1.733 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1nncn1C 1316278989 FYAQIKGQOGWBPZ-RDJZCZTQSA-N 400.487 1.309 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@H]2CCOC2)cc1 1316534125 PERHETMECWICFZ-ZWKOTPCHSA-N 424.505 1.857 30 10 HDEE C[C@H](CONC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)NC(=O)OC(C)(C)C 1320886534 LAYYGVODISACCU-HIFRSBDPSA-N 402.451 1.872 30 10 HDEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1323565009 BSKVULKXLCYMBS-VHEBQXMUSA-N 400.435 1.642 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 1337637514 ZLEFPRKNJHKUNV-AWEZNQCLSA-N 408.252 1.979 30 10 HDEE C=CCc1cc(CNC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)cc(OC)c1OC 1357247000 RLTVAMNJEPWNSW-CQSZACIVSA-N 401.423 1.062 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1359056100 XVEZWPUZFFRYMW-MRXNPFEDSA-N 414.539 1.104 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1359167413 FMZFYIHVWJZOME-IBGZPJMESA-N 416.570 1.914 30 10 HDEE C=CCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359290313 VCZIDOPEEWCANC-WIYYLYMNSA-N 405.543 1.663 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)CC)C1 1359317312 GNKFCEGHFDDRSA-HNNXBMFYSA-N 406.512 1.061 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)C1 1359321103 ABQSWWADCVUAJE-GBESFXJTSA-N 405.543 1.410 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCSC1 1359334604 LFWLFSRXQQWTLP-INIZCTEOSA-N 424.596 1.682 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1359472114 FUNYMUOCHMBLDP-PEBXRYMYSA-N 421.505 1.949 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1360149801 CQYLAXFZQJKCHR-UHFFFAOYSA-N 407.522 1.873 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 1360174908 SSBLMUCQWAZIRN-FXAWDEMLSA-N 401.507 1.904 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O 1438604740 ZMJYPEOJNWECMY-OAHLLOKOSA-N 403.460 1.320 30 10 HDEE C[C@]12CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C[C@H]1CS(=O)(=O)C2 1439873482 LBTQYDJYMUBGHV-MAUKXSAKSA-N 410.517 1.271 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1444158295 KKHBXCYXIFPQFJ-DYVFJYSZSA-N 408.501 1.104 30 10 HDEE Cc1ccc(I)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1447864900 GVXDGCGOEIPNLF-UHFFFAOYSA-N 424.198 1.762 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)cc1 1451227957 TXBXWKLZCAPFND-UHFFFAOYSA-N 400.395 1.170 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC[C@@H]1CSc2ccccc2O1)c1cc[nH]n1 1452156853 BCEWVSQGMDPDHD-CYBMUJFWSA-N 418.475 1.753 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)C1 1452422823 UIFJTPJQEZWGKC-VQWQTIEJSA-N 418.494 1.873 30 10 HDEE C#CCOCCN(C)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1457394375 QQHOUGSWNFTHCA-QFIPXVFZSA-N 419.481 1.608 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3nnc4n3CCCC4)C2=O)cc1 1466330283 XUWRWJXEQZZVOM-INIZCTEOSA-N 421.461 1.050 30 10 HDEE C#CC[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1468876348 ZATOMAFRAAXMOF-CYBMUJFWSA-N 407.220 1.116 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CCC1)[C@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1470635041 SOJQXYUPFANLFX-VVFCZOMOSA-N 405.520 1.968 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C1CCOCC1 1475514707 KNXOSVXOQPICBS-HNNXBMFYSA-N 404.410 1.685 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1475584410 ZGJHGGQSAMSHMG-IBGZPJMESA-N 412.577 1.689 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1475621216 ZUOYEAZZUCPHML-FQEVSTJZSA-N 407.580 1.880 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1478609318 UXTHJQTXCOAZOM-NEPJUHHUSA-N 408.307 1.914 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)C1 1479314431 UKZMXEBLXRHFRH-HXUWFJFHSA-N 412.534 1.579 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CC 1503065501 BBVYHNKPOOOQJR-KRWDZBQOSA-N 411.510 1.834 30 10 HDEE CNc1cc(N2CCC[C@@H]2Cn2c(C(C)C)nnc2N2CCO[C@@H](C#N)C2)ncn1 1503828961 DKCANHRUKMSHQD-CVEARBPZSA-N 411.514 1.631 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1(=O)=O 1505325009 HQUGBOQFAQZJRF-INIZCTEOSA-N 415.523 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507539706 XNLZFBKAPLBYAI-YHUYYLMFSA-N 413.519 1.207 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1507628340 NMCTXYCPLGDMDU-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1c(CC)nn(C)c1CC 1507657374 QEQJWHQOTRZFQQ-UHFFFAOYSA-N 407.522 1.380 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2([S@@](C)=O)CC2)CC1 1507736020 DHZJBPMQFSVOTM-GDLZYMKVSA-N 414.535 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)N[C@H](C)CC)CC1 1507738661 ULRYISRTNDPNQN-OAHLLOKOSA-N 400.527 1.426 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1507954418 NIXBMVRJEACZJT-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H]2OC)C1 1508132641 XUJCCVIIBXBBKX-KSZLIROESA-N 403.527 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1508144397 DHWPXOILDRCYED-WCXIOVBPSA-N 410.540 1.244 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)cc1 1515902648 QCVVJZORIQYXJM-GOSISDBHSA-N 417.491 1.667 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1515965142 FPHJJWMBCQKVCL-INIZCTEOSA-N 414.514 1.031 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1516859594 MTUAILMGKKEAEC-DUOAEJKSSA-N 415.475 1.699 30 10 HDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1518882584 PVNJVFYUINDHKY-UHFFFAOYSA-N 407.482 1.756 30 10 HDEE Cc1c(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cnn1CCC#N 1524316999 GOLJOVFAIDEKED-UHFFFAOYSA-N 413.862 1.606 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2=O)cn1 1529543154 DYYSBJKXZDXOFL-KLHKWILBSA-N 408.462 1.546 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl 1539026342 UNDUQYJAXCGINU-CQSZACIVSA-N 402.886 1.986 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)CN(C)C1=O 1539320466 UMIGXLFLYXCCLI-QFIPXVFZSA-N 405.458 1.615 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539414389 VFWFQPANHWPHKN-BBTUJRGHSA-N 404.511 1.944 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCC(=O)NC2CC2)CC1 1539453690 PFCJEDCGYNDFBQ-UHFFFAOYSA-N 407.522 1.078 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OCCOC)C1 1539612798 QDGROOXGYZFZRL-KURKYZTESA-N 421.542 1.639 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539641450 MRFWSTDCXLXLAJ-DFEOGRTESA-N 403.527 1.758 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C#N)(C(=O)OC)CC1)C2=O 1540068087 YBLCGHVDWXBWRS-UHFFFAOYSA-N 404.467 1.183 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C)C1CC1 1540108594 KHILVBOXVGHLLK-MRXNPFEDSA-N 423.583 1.446 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540172388 ZFLXPLAILFNZBH-SFHVURJKSA-N 416.551 1.724 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2SCC(N)=O)c1 1540512963 RDRGTSUHWJMNKV-UHFFFAOYSA-N 407.448 1.953 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1540873985 QWTFZZRQAZOVDZ-UHFFFAOYSA-N 414.554 1.762 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)CC1 1542895049 YDIRPZCDHVVOIL-BSRJHKFKSA-N 417.550 1.418 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCN2CCCO)n1 1543011017 AJJIDJDAUHHASA-APWZRJJASA-N 414.558 1.582 30 10 HDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCCO 1543308366 CCWSYWHHSHKYQW-UHFFFAOYSA-N 401.471 1.049 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(OCC(C)(C)O)cc1)c1cc[nH]n1 1545189993 TUOZXFOIOMURNZ-UHFFFAOYSA-N 404.423 1.482 30 10 HDEE CCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546547442 QONJVKKDUYJBNO-DKASORFFSA-N 414.388 1.134 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)coc2C)CCOC1 1547919389 NNPDVXQFZWVTMH-JXFKEZNVSA-N 401.467 1.917 30 10 HDEE C#CC[C@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)OC 1556970929 MLWSUFINLGOMGF-NSHDSACASA-N 402.144 1.494 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)cc1 1557664171 FULPDMQNRUQUDL-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(N2CCCC2)CC1 1557833420 DSYLCVVLWPKKBT-INIZCTEOSA-N 404.536 1.702 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)c1 1565773784 VDGFQJUHVUDEEG-YOEHRIQHSA-N 400.410 1.309 30 10 HDEE Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)o1 1565814373 VGFWNTWELUIIRH-JVMRMLDLSA-N 407.430 1.921 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)NC3(c4ccc(C#N)cc4)CCC3)CC2=O)cn1 1584880609 YSKJKQPNXWWLQJ-QGZVFWFLSA-N 407.474 1.950 30 10 HDEE O=C(CN1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1)Nc1nncs1 1586187242 COKWZRCKVSTJTI-UTCJRWHESA-N 403.439 1.042 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1587554978 BQKHUQROEWKCHV-AWEZNQCLSA-N 414.897 1.622 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1587641353 ZMCRPXMLYUQJIY-WBVHZDCISA-N 416.547 1.914 30 10 HDEE Cc1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)cc1S(=O)(=O)NCC#N 1588159730 AGGSVNCFKIWHML-UHFFFAOYSA-N 400.416 1.380 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ccn(C)n2)CC1 1588908907 ZMLGSTXTAFODGM-UHFFFAOYSA-N 403.490 1.693 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2C[C@H]2C)CC1 1588967971 CRXFDSWRFPPIHB-LULLPPNCSA-N 415.538 1.624 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1589150746 KFGKFWTZBAVSDU-HNAYVOBHSA-N 402.524 1.632 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)cc1 1589234253 QQECNRUBRWTDBV-JOCHJYFZSA-N 406.490 1.540 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1593740516 BPNMFNHBCCNCLN-QGZVFWFLSA-N 421.542 1.496 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1594867230 KFPZVOYLTFIYGI-UHFFFAOYSA-N 419.555 1.695 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1595062772 WMOBHTXBDJDFRS-MRCUWXFGSA-N 419.489 1.945 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1595701017 WADINBKDCCPXQI-KNQAVFIVSA-N 408.506 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC1CC(F)(F)C1 1595784439 GFBRDSHYQJXWJP-UHFFFAOYSA-N 414.482 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1595785173 SLQLKXZBADRNEC-FUHWJXTLSA-N 417.535 1.946 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Nc2ccccn2)CC1 1596428175 GKFDXXYAZJNOLC-HNNXBMFYSA-N 413.503 1.723 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597372476 YPMXIUXNEHBMLV-NJSLBKSFSA-N 411.524 1.419 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@@H]2c2ccccc2)s1 1611196870 HLXANNWOSLVWKN-SFHVURJKSA-N 419.528 1.455 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 1611252167 OIRSSHQGPXVKEJ-OAHLLOKOSA-N 403.460 1.742 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC2(c3ccc(Br)cc3)CC2)C1=O 1611284511 KDTASYRBZIDAHB-UHFFFAOYSA-N 420.263 1.574 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCO1 1611490010 XOGDMLVBXYVJLA-QGZVFWFLSA-N 413.883 1.116 30 10 HDEE CCc1nc(CCn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)no1 1613873888 CIMJTTADBZWLIE-OAHLLOKOSA-N 411.441 1.925 30 10 HDEE C[C@H](C(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 1616284583 KAIFQFJSXJSPIL-CYBMUJFWSA-N 404.471 1.338 30 10 HDEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616336806 RBDOJVOIPFIJOY-MGPUTAFESA-N 415.519 1.223 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Br)cn1 1616949745 DCARFWOMTVAOHM-CYBMUJFWSA-N 410.276 1.203 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CC1CC1 1620176398 CZPYVXQLUUCJQV-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCSCCCO)CCN1C1CC1 1620357651 ZVNUCHBFYQEETA-IAGOWNOFSA-N 406.556 1.422 30 10 HDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1622523903 HUZRSPWDIUKOIR-CQSZACIVSA-N 420.413 1.289 30 10 HDEE C[C@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 1627134750 IVHGDEZWXTUILY-QZTJIDSGSA-N 409.575 1.963 30 10 HDEE CN1CCn2ncc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)c2S1(=O)=O 1627459119 QDDRBHNSQANQRE-UHFFFAOYSA-N 415.475 1.072 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCCc3nn[nH]c32)n1 1627670678 YOJVFFUWSIWULN-JTQLQIEISA-N 402.509 1.977 30 10 HDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1629379884 IJJYIKDAELQBAR-IBGZPJMESA-N 416.455 1.755 30 10 HDEE C#CCN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1629536837 FTFABQJLEUVHJR-UHFFFAOYSA-N 403.548 1.571 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)c1 1629737047 QSEJRYZXYQGQSS-UHFFFAOYSA-N 406.464 1.508 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C2 1631763535 IHTRYUSKMNVOAQ-RCCFBDPRSA-N 415.515 1.510 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1632298893 UQUICJOVJHSQRT-KGLIPLIRSA-N 404.891 1.795 30 10 HDEE CN(C)C(=O)NCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1632580409 NCEDPMGWGUWSDB-QGZVFWFLSA-N 415.494 1.780 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)C2=O)cc1 1635700578 BBIWINHGMSNMIX-RDPSFJRHSA-N 416.481 1.623 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1636180339 ZDWFKHAVLXQHHQ-HXUWFJFHSA-N 400.523 1.612 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1 1637450007 TXCBVPRURAOFDS-OAQYLSRUSA-N 400.479 1.891 30 10 HDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 1637996268 ACXOJHVKEVZTSM-UHFFFAOYSA-N 417.453 1.958 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)nn1 1639557652 QRMYYNWIVISZFK-UHFFFAOYSA-N 401.448 1.466 30 10 HDEE N#Cc1ccc(C2(NC(=O)c3cc(S(N)(=O)=O)oc3Cl)CCOCC2)cc1 1642637064 RRPMKRODHPFQNO-UHFFFAOYSA-N 409.851 1.888 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)nn1 1645182212 NEFYWSKPAQHHIZ-OAHLLOKOSA-N 407.430 1.001 30 10 HDEE COC(=O)[C@]1(N2CCN(Cc3cc(C#N)ccc3Br)CC2)CCOC1 1647809325 ICESHKZPWURQLZ-SFHVURJKSA-N 408.296 1.770 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(O)c(C(=O)OC(C)(C)C)c2)C1=O 1647985722 HZBOSUVHWXANCQ-UHFFFAOYSA-N 403.391 1.263 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)C1CCN(c2oc(C)nc2C#N)CC1)C(C)C 1648792375 SSFYLMYFCFSTMJ-KRWDZBQOSA-N 405.499 1.365 30 10 HDEE N#CCOc1ccc(Cl)cc1Cn1cnc2ccc(S(N)(=O)=O)cc2c1=O 1653084975 LZLDUWHQRXFDBA-UHFFFAOYSA-N 404.835 1.648 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C[C@H](O)COc3ccccc3C#N)CCO2)cc1 1659555070 GJVOTOGORIVGHE-GHTZIAJQSA-N 416.499 1.775 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)cc1 1667322744 XAVTYZNVOUNREE-INIZCTEOSA-N 423.539 1.761 30 10 HDEE C=C(C)[C@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)c1ccc(F)c(F)c1 1671851687 IDJOFWNJHXIVST-INIZCTEOSA-N 402.405 1.865 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)n1 1672542982 YIHWSPJWOMNIKA-HNNXBMFYSA-N 401.858 1.407 30 10 HDEE N#Cc1ccc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1 1673351275 LHODFTIATFLGGB-WFASDCNBSA-N 402.398 1.604 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1681591132 GOAMAZCRNLDURH-UHFFFAOYSA-N 402.495 1.126 30 10 HDEE C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1686773547 NPVXZLPFCUKQGM-ZQGRQUNCSA-N 418.494 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1689851467 REPJNROGVCQOHC-RDJZCZTQSA-N 418.567 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689855902 FOCRWKDMNOWWJH-JKSUJKDBSA-N 402.524 1.003 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1689928433 OFRQIBQSSBRWRG-MRXNPFEDSA-N 402.499 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1690019188 CITFAZRZQOBRIH-SFHVURJKSA-N 412.515 1.618 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(COC)CCC2)CC1 1690110499 OTQCCFMECKJNFL-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690394699 IPGQCTPDBRTZOX-INIZCTEOSA-N 409.556 1.786 30 10 HDEE CC(C)Cc1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1692091337 SYBWXTLCCSTVHB-VXPUYCOJSA-N 424.509 1.472 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccncc2)CCOC1 1692595620 PJOVMKBOFNJSQH-GHTZIAJQSA-N 412.494 1.685 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCOC 1696990493 HYYJDAYSRPVXAK-HXUWFJFHSA-N 400.483 1.177 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1705541189 CDAQQPMUNDYXHS-AWEZNQCLSA-N 421.523 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1COCCO1 1705629332 FEAJCAQNAKGHEG-GOSISDBHSA-N 400.479 1.379 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705637807 MOBYKQVRWSULKX-OAHLLOKOSA-N 409.416 1.458 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(N3CCN(CC)CC3)nc2)CC1 1705640371 OXQLMNCYFXBKTF-UHFFFAOYSA-N 422.581 1.181 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705661483 CODSYUTYLXOSMC-IAGOWNOFSA-N 405.568 1.891 30 10 HDEE C=C(C)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1705728332 GSCOUQSWUHWNHQ-FQEVSTJZSA-N 407.515 1.238 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1705737325 OKVGVNCKOYVAAD-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1705881962 HJHIRJUJMBDYGZ-UHFFFAOYSA-N 424.523 1.425 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCSC2)C1 1705936001 HPEZIORGZOGBSR-MAUKXSAKSA-N 412.581 1.716 30 10 HDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710802577 MYPMZQCYRNJVPP-INIZCTEOSA-N 411.466 1.191 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCC 1722351570 JORKOGNBFRETAS-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1722358953 HJJQOJZMOKJGPY-HNNXBMFYSA-N 404.492 1.510 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1722466939 IUEHDWMEEHANJU-RZQQEMMASA-N 420.583 1.365 30 10 HDEE CC(C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1723628070 OMGQPBLMTGWKNV-UHFFFAOYSA-N 410.526 1.909 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CCC1 1723952958 PQBOAWMPSPYXRN-GOEBONIOSA-N 421.571 1.255 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1728595192 NCZYGYNEOXJTJM-JOCHJYFZSA-N 421.505 1.354 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1728795657 RIAXRAQYYKVZQH-KBRIMQKVSA-N 415.416 1.796 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730571907 DLUPGIGQHUJYST-LZICOFPGSA-N 423.477 1.339 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCN(C)CC1 1731063191 CVUORQIIOJGUEC-MRXNPFEDSA-N 417.583 1.797 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740574339 HFNPFFCOMUJHLK-SFHVURJKSA-N 416.551 1.585 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740575576 UAYCZXYWYGLPCB-KURKYZTESA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740625500 OFIRUQJNXNINLK-GOSISDBHSA-N 407.584 1.589 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1740672146 XSZMCJBTTYWOHF-KRWDZBQOSA-N 402.520 1.888 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740715226 VERAYRUBLPBQEI-GDBMZVCRSA-N 401.492 1.067 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1740744588 CCLPRDFXERNLAE-GFCCVEGCSA-N 419.345 1.704 30 10 HDEE C=C(C)Cn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740782050 WDIBCSMHUAVWRK-UHFFFAOYSA-N 400.527 1.672 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740793254 QDCCELRLGSVSIM-SFHVURJKSA-N 403.527 1.966 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1740843300 DKWGUUUQKPBZKV-ZIAGYGMSSA-N 413.544 1.490 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)C(F)(F)F)CC2)nnc1C(C)(C)C 1740966280 XAPWQRNAFSQXKN-CYBMUJFWSA-N 402.465 1.951 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1748639372 GDUWCVQESQMPJF-CABCVRRESA-N 405.524 1.712 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccnc1C 1748784121 BRHMVHHNDMAZBB-UHFFFAOYSA-N 414.473 1.603 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@@H]2C)CC1 1748994256 WEJQTDXTVXSSNN-KRWDZBQOSA-N 413.595 1.873 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)CCS(=O)(=O)CC 1749037497 FSFINWKOUQRPTH-HNNXBMFYSA-N 400.570 1.757 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2C1 1749669462 LJUULWRMBKINPQ-INIZCTEOSA-N 401.492 1.003 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)NC)C1 1749703676 MRGZKFGWHXEETO-MRXNPFEDSA-N 405.524 1.584 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1749740936 LAHOFNXNLACTOF-UHFFFAOYSA-N 408.572 1.783 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@H](C)O1 1752389351 WQCRTULUZZTARP-GJZGRUSLSA-N 408.466 1.519 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760158669 PMAUGKVBFQOEAU-KRWDZBQOSA-N 412.469 1.966 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760205346 YWIZAISJLQWEJH-FMQUCBEESA-N 420.498 1.530 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccco1 1760208835 KSGVPZCSFCIRRF-QFIPXVFZSA-N 418.457 1.889 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@]2(O)CCOC2)n1 1760252828 RJLLGUFYKDUYLD-HXUWFJFHSA-N 402.499 1.036 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760284596 ORVOJRAVQZQDLR-INIZCTEOSA-N 401.540 1.173 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1760312837 FKYKYUOZWMSXPF-NCOADZHNSA-N 407.515 1.248 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760522278 PHHIBGPCCDRVBE-LSDHHAIUSA-N 418.523 1.427 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)NCC(F)(F)F 1762185897 CPXGYLRCHNUCDI-LLVKDONJSA-N 417.436 1.471 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765340987 FXZLASQVCBEWLW-LIMHQNJXSA-N 406.494 1.789 30 10 HDEE CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)o1 1765614057 GUGRAPMVIIYZGL-OCCSQVGLSA-N 423.543 1.781 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@H]1NC(=O)CC1(C)C 1769843642 QYKBTPDGFMLDHP-QGZVFWFLSA-N 411.510 1.930 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)C1 1770728256 RBSJDGZNWOJQJS-OXQOHEQNSA-N 420.489 1.542 30 10 HDEE COCc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1-c1ccc(F)c(C)c1 1850668025 COZIAZVIVUDIMJ-UHFFFAOYSA-N 400.458 1.827 30 10 HDEE C#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1850940371 ZUXZYKNEZNOSQU-UHFFFAOYSA-N 407.511 1.394 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 1851225048 FQDBCPLCANBHBU-HKUYNNGSSA-N 410.474 1.709 30 10 HDEE C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851725374 ODHSZNBQXQAQDI-IIBYNOLFSA-N 408.458 1.847 30 10 HDEE CN(CC#CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)Cc1ccccc1 1851856900 WFUMFQKWYZTHPM-FGZHOGPDSA-N 409.530 1.679 30 10 HDEE COCc1nc(-c2ccnc(N3CCN(CC#Cc4ccc(OC)cc4)CC3)n2)no1 1852018955 JJQVBLAWPZGLQR-UHFFFAOYSA-N 420.473 1.855 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)cc1 1852191250 BLYJFEICZANKAF-INIZCTEOSA-N 401.444 1.653 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc2c(c1)CCC2 1852502515 UOYNVFQDJLPEOS-UHFFFAOYSA-N 414.473 1.689 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1852841356 IOCWOEBZXOQXQI-UHFFFAOYSA-N 403.504 1.704 30 10 HDEE COC(=O)C1=C(NC(=O)[C@@H]2CN(C)C=N2)c2ccccc2[C@@]1(C#N)c1ccccc1 1852917643 QNOFFFGQZQHBDP-FDDCHVKYSA-N 400.438 1.852 30 10 HDEE O=C(CN(c1ccccn1)S(=O)(=O)c1ccccc1)NCC#CCN1CCCC1 1852969753 UDFYOYSQZFSIJI-UHFFFAOYSA-N 412.515 1.492 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1=O 1854179335 PSHOCHWEEIGFRP-VQTJNVASSA-N 406.486 1.937 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCc2ccccc2OCC)C1=O 1854179906 ZZJAOXGIDOPQIF-OALUTQOASA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854218655 IWYMBNZEVWHXAQ-MOPGFXCFSA-N 415.490 1.172 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cnn3ccccc23)C1=O 1854262965 PBRCRYFVQLHZFK-OALUTQOASA-N 409.490 1.574 30 10 HDEE CN1C[C@@H](CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C23CCCCC3)CC1=O 1854294979 CCDWETPWCNWEHW-INIZCTEOSA-N 409.490 1.419 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3=O)CC2)CC1 1854371061 SCLTYRNUROTXGI-RTBURBONSA-N 416.522 1.157 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1C 1854421686 UZPBTEVFJPOWQH-UHFFFAOYSA-N 405.476 1.454 30 10 HDEE CCCCOc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1 1855980683 IASMQSISFMIMBG-UHFFFAOYSA-N 407.492 1.782 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1=O 1856414384 BSXRLCCLHZFIAK-MAUKXSAKSA-N 400.454 1.932 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC[C@@H](Cc3nc(-c4ccncc4)no3)C2)C1=O 1856909022 UHXYFUIYKUQBLW-RDJZCZTQSA-N 408.462 1.817 30 10 HDEE N#Cc1cccc(C(=O)NCC(=O)Nc2cccc(N3CCCCS3(=O)=O)c2)c1 1858075698 SLGINUOZEYCGLI-UHFFFAOYSA-N 412.471 1.857 30 10 HDEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ccccn2)CC1 1858110953 BBYOHDVGHKHVQL-INIZCTEOSA-N 413.503 1.680 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CC)nn2C 1864323361 JGSHMMYVMZMNJW-DYVFJYSZSA-N 412.490 1.739 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1CC2=NO 1876017131 FHYWLFCVBSFVFX-QHRIQVFBSA-N 423.466 1.655 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1901970258 BWRQDLGZOBVXNF-OPAMFIHVSA-N 415.490 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](N2CCN(C(=O)C#CBr)CC2)C1 2006223282 YZRQTPCZIXBMCB-AWEZNQCLSA-N 400.317 1.886 30 10 HDEE N#CCCS(=O)(=O)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2054406134 RUEOIORLOAVMFD-QGZVFWFLSA-N 407.492 1.780 30 10 HDEE C[C@H](C#N)OCCS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074664728 BYJGBFCLYYDPCE-HIFRSBDPSA-N 412.464 1.488 30 10 HDEE CO[C@@H]1CC[C@H]1CS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2239413441 USOILNDZIGNDFB-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2241812162 YCHPXPYWGWHUGB-BFUOFWGJSA-N 401.504 1.848 30 10 HDEE Cc1ccnc(C(=O)NCC(=O)NCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247832041 IRRGBIKFRUJMSG-UHFFFAOYSA-N 409.295 1.735 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2247838920 PFHYBAKHGBEOQT-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247911026 RTWPRJAZHRUKBG-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE C[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247913667 ZEAHVEIKDXWFEX-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2250004515 MDNCWXWOWORIKL-MEMLXQNLSA-N 420.315 1.954 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2255647778 DATBZRVVYZDZTE-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE C[C@@H]1NCC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353743 MSYKDQUOYFHTTL-GXSJLCMTSA-N 406.766 1.729 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372013 IKCZNPJSUQAFMT-APXPCNQMSA-N 407.388 1.435 30 10 HDEE CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281968803 GFKZAHIRXXEKHJ-DMDPSCGWSA-N 400.737 1.935 30 10 HDEE C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282334285 ZKQHBKZGYOHQGW-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE C[C@H]1CN[C@@H](C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338322 QJZOERDTPYFYAW-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2282352907 SCLWELZSMZBYHT-GFCCVEGCSA-N 402.347 1.226 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H](F)C2CCC2)OC1(C)C 2282495732 QLCVNJNGJZUXFY-GFCCVEGCSA-N 404.338 2.000 30 10 HDEE CCCNC(=O)[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497673 TUHQQWKVSHVXNJ-NSHDSACASA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3(N)CCOCC3)c2Cl)OC1(C)C 2282641119 WPRTUXQYROFRLB-UHFFFAOYSA-N 400.737 1.938 30 10 HDEE Cn1nccc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282844258 APEOLXVFJMGVCQ-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2COCCC2(F)F)OC1(C)C 2282852513 QCXLNJNLFZLSHA-NSHDSACASA-N 409.285 1.750 30 10 HDEE CNC[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855452 DYDOXDWCSWXKGT-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC(C)[C@H](C)[C@H](N)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855682 IEXOGBDUZNUNOT-QWHCGFSZSA-N 402.391 1.945 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284401449 AVIVUNJALUXNQD-JTQLQIEISA-N 403.693 1.781 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1cncc(C#N)c1 2296367570 TZSFUTFCWBHPKG-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1 2351014475 ZTVSDUFCXBNOLC-HLIPFELVSA-N 420.487 1.021 30 10 HDEE C#CCN(CC(=O)O)C(=O)NCc1c(Br)c(Br)nn1C 2364432416 KPWNXLVCRMKYFQ-UHFFFAOYSA-N 408.050 1.175 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367785787 FQFWRYGHGMLJHF-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cccc(F)c2I)CC1 2367847625 UNQDDDRFDFGRRM-LLVKDONJSA-N 408.236 1.515 30 10 HDEE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1cccc2c(=O)[nH][nH]c(=O)c12 59461691 PLMZRJDKJFQDJH-HKWRFOASSA-N 407.346 1.315 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(c2ncccc2C#N)CC1 96993213 SIQBANGUEAYQLY-SFHVURJKSA-N 420.517 1.939 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)c3ccccc3C2=O)cc1 111001653 HXAUXNJACHQPLX-QGZVFWFLSA-N 420.450 1.694 30 10 HDEE CCNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 208380649 BUSKWHPFTKLAMW-KWEPMOPPSA-N 404.536 1.690 30 10 HDEE C/C(Cl)=C\Cn1/c(=N/N=Cc2ccc(F)cc2)[nH]c2c1c(=O)n(C)c(=O)n2C 254873620 AWUOUWUWTYWTGM-KZECDOSNSA-N 404.833 1.583 30 10 HDEE C[C@H](C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)n1cnc(C#N)n1 409510269 ZGJGOTRAIBLFDX-CQSZACIVSA-N 402.480 1.202 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 410217273 GUWYRDGMSHUXNX-NVXWUHKLSA-N 423.514 1.247 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2cc(Br)cnc2-n2cccn2)CC1 430323497 FXBAJRSSAAVRHJ-UHFFFAOYSA-N 403.240 1.778 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CN(C(C)=O)C3CC3)cc2)CC1 438335358 PLFZLCYHVPNMIS-UHFFFAOYSA-N 413.522 1.649 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 441022164 BTONWWKXAJREMP-JCYILVPMSA-N 400.545 1.398 30 10 HDEE CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCC2(CC#N)CC2)c1 443315654 DABSGPLVLKEGPM-UHFFFAOYSA-N 406.508 1.822 30 10 HDEE N#CCN1CCC(CNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 464803462 YQWFLLKXGHXVFA-UHFFFAOYSA-N 422.532 1.785 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccnc3)c2)CC1 468968680 PCMBZHRFPYXPMS-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(CO)nnc3C2)n(-c2ccc(F)cc2)c1C 471037889 HKWBTLKSCPBHQW-UHFFFAOYSA-N 423.452 1.643 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)Cc1ccc(C#N)cc1F 480705455 HCFYSTWKBPUZSL-ZDUSSCGKSA-N 400.435 1.915 30 10 HDEE N#Cc1ccc(OCCNC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cc1 483547290 XSOZMZJOPSSPSJ-UHFFFAOYSA-N 424.457 1.996 30 10 HDEE N#Cc1ccc(CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1F 483962669 PDFFSQZWLZTVKI-UHFFFAOYSA-N 409.421 1.589 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1C#N 489822412 SSEDQUBXVVFSNC-IBGZPJMESA-N 400.504 1.831 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490035655 PRIPRGQHMOOILF-OAHLLOKOSA-N 401.444 1.890 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 500288618 FNPZEPLOAPISQD-KRWDZBQOSA-N 406.402 1.316 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 507372640 BAEVESICUTXKRI-UHFFFAOYSA-N 417.495 1.855 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 508482226 XANHCRWFQVXNCF-MRXNPFEDSA-N 408.466 1.906 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)c1C 509599722 BVZHKBDZULCZKY-UHFFFAOYSA-N 403.464 1.661 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 516991518 VRUQRIZUEWTECS-ZDUSSCGKSA-N 419.279 1.386 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC[S@](=O)c2ccccc2)CC1 517094447 URVIQIXCTBEVQL-SANMLTNESA-N 403.529 1.672 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(CCC(=O)N(C)C)CC3)cc2C1=O 521857528 RBGSAANKZGZODN-UHFFFAOYSA-N 412.490 1.141 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 532799724 RQJHSSMTCMFHFT-MRXNPFEDSA-N 412.515 1.177 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCOC1 533544850 MGPNGNVIMGFONN-AWEZNQCLSA-N 400.525 1.880 30 10 HDEE CC(=O)N[C@@H]1CCCN(C(=O)CNc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542008704 JJEZJFFCQDAAOG-MRXNPFEDSA-N 400.870 1.936 30 10 HDEE CCc1cc(N2CCC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)ncn1 546928816 AHUAQAOTEVPVOA-IBGZPJMESA-N 420.521 1.806 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 549252367 DNRKVOHJUPKNKI-LJQANCHMSA-N 411.506 1.833 30 10 HDEE C[C@@](CNC(=O)c1ccnc(C#N)c1)(NC(=O)c1ccnc(C#N)c1)C(F)(F)F 551678984 HAXDGUSZICYUSO-KRWDZBQOSA-N 402.336 1.701 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc2N(C)C1=O 586313560 KXSRGNNHZWJAPX-HSRKRZFJSA-N 405.476 1.122 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N(C)C 609256776 IDBZCVYWILGAKG-UHFFFAOYSA-N 418.450 1.511 30 10 HDEE CCN1C(=O)[C@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CCN2C1=O 610605567 CSZPBFBVRYMZFL-MRXNPFEDSA-N 403.870 1.555 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N(C)CC(=O)NC(C)(C)C 685552161 WNOKFGHTWCMZCO-UHFFFAOYSA-N 405.524 1.886 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(C#CCO)ccc1Cl 703971363 VPWPNSFBPFEBEU-UHFFFAOYSA-N 418.858 1.722 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1)[C@H]1CCS(=O)(=O)C1 729332727 WAORMGICNKYYMZ-MJGOQNOKSA-N 402.516 1.641 30 10 HDEE Cc1ccc(-n2nc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c3c2CCC3)cc1 731861506 DOBCQMKYVHJQIV-LSDHQDQOSA-N 405.458 1.926 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 731861516 DUGUHFNYECOBBJ-MBOBHEEDSA-N 410.474 1.110 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C(N)=O)c1ccc(C#N)cc1 734483524 JAQFJJLJZNVKMK-SFHVURJKSA-N 415.494 1.096 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 742573716 QAQLZVCFKQURIG-GFCCVEGCSA-N 403.403 1.568 30 10 HDEE C[C@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)N(C)CCC#N 744781079 MCRIIALGSVNCJR-KBPBESRZSA-N 413.521 1.595 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1C#N 747497510 FGXHWXKZHKMWFC-UHFFFAOYSA-N 406.442 1.944 30 10 HDEE CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1 751134302 IPJFFXPRIOPOHF-CYBMUJFWSA-N 415.522 1.704 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 751273036 DVMVYDIMZIJQRL-CQSZACIVSA-N 403.909 1.153 30 10 HDEE COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 751834336 BEGXPHWYNQWQEV-UHFFFAOYSA-N 415.349 1.821 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 759003174 DLTZKFAZLRTTAP-KRWDZBQOSA-N 404.536 1.892 30 10 HDEE C#CCN(C(=O)NCc1cccnc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774166528 PSQBWAYOCWKMHN-CYBMUJFWSA-N 405.398 1.355 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCOCC[C@H]3C)nnc12 775598578 XFTWSBOVKNHTKX-CQSZACIVSA-N 413.503 1.960 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)cc1C#N 787201810 JKMWCQZIXHBEDM-HNNXBMFYSA-N 423.473 1.120 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)cc2C(=O)OC)n1 788694833 XUYXDOLDOKXAEL-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(F)(F)F 789898767 YARYHOOFSZINAU-YPMHNXCESA-N 407.414 1.323 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NC(=O)N2CCCC2)[C@@H](C)CC)n1 790104562 QJXHDCOCOGPLNT-HKUYNNGSSA-N 403.527 1.711 30 10 HDEE NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)OCC#Cc2ccccc2)c1 791276137 ZYDDJHJAKZHAGP-UHFFFAOYSA-N 400.456 1.379 30 10 HDEE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)OCC#Cc1ccccc1 791288986 GCXYNDYGSQLBOZ-UHFFFAOYSA-N 401.440 1.721 30 10 HDEE Cc1cc(COCC(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)on1 802247034 PMOBYYPXAZWZIZ-UHFFFAOYSA-N 414.237 1.639 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2ccc(F)cc2)C1 802622432 QLUAURNXXLBZRB-ZDUSSCGKSA-N 403.435 1.094 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1CC(=C)C 812178065 YBJMOYKCCYTOTR-UHFFFAOYSA-N 416.529 1.885 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1N1CCOCC1 1127219589 DIUHZJUFAGWQHS-QGZVFWFLSA-N 406.490 1.844 30 10 HDEE C[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1131906345 CRRXKGWXNVCNGY-GFCCVEGCSA-N 412.450 1.841 30 10 HDEE Cc1cc(NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n(C)n1 1139032161 JEFFQDMVCLUXKJ-CQSZACIVSA-N 400.870 1.835 30 10 HDEE C#CCN(CC(=O)NCC(=O)NCCc1ccccc1OC)C(=O)OC(C)(C)C 1139651769 IFEQAQSRBYXCJJ-UHFFFAOYSA-N 403.479 1.340 30 10 HDEE CO[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1cnn(C)c1 1146297247 DPRYQZSPNPLNOO-HXUWFJFHSA-N 405.462 1.718 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1152780933 AEUANNGVDSNZRJ-INIZCTEOSA-N 417.315 1.064 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 1181037338 HKSHBLRMHKEDEM-QGZVFWFLSA-N 416.478 1.663 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OCC 1193572681 GZTQRQKSABVRNO-GFCCVEGCSA-N 401.872 1.230 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1196677266 XPUIUEQIDFLYMO-FZKCQIBNSA-N 411.428 1.373 30 10 HDEE CCOC(=O)c1c(NC(=O)NCC2(C#N)CCOCC2)c(C#N)cn1CCOC 1203101767 GJBNVRZAWPYENL-UHFFFAOYSA-N 403.439 1.625 30 10 HDEE CC(C)O[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOC1 1227632774 PYXKUUGADRIKJH-GHTZIAJQSA-N 400.479 1.542 30 10 HDEE C#CCC1(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCCCC1 1228281637 NZBNZMCHHOSQLA-UHFFFAOYSA-N 411.568 1.985 30 10 HDEE C=CCCn1cc(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)nn1 1281309241 BTIGKKPNBJXXGM-ZAZQZGKISA-N 401.511 1.538 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1286348930 BKRLTKNLDZLUKA-CABCVRRESA-N 403.512 1.064 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286395890 OSVNXVVLAQNCGO-HZPDHXFCSA-N 419.551 1.073 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1286407719 OYLPULZAJCIOFM-LJQANCHMSA-N 416.485 1.477 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CC)c1 1286416613 TVWWCRRCNZCICE-UHFFFAOYSA-N 407.503 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc(CC)s1 1286433128 LRHWZEHXUYSEDY-YJBOKZPZSA-N 414.535 1.927 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)N2CCOCC2)CC1 1286479226 GGXHCZQCSBTPGN-UHFFFAOYSA-N 402.587 1.733 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1286714347 PKMKDDOCYUIPAU-KRWDZBQOSA-N 404.515 1.098 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(N)=O)nc1 1286767586 BRHRSBYSYFYUNN-UHFFFAOYSA-N 407.478 1.830 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC2)C1 1286805931 VQQXPMMMJSJPHF-MRXNPFEDSA-N 418.519 1.655 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1286819668 RQMQLYTZCHCMRZ-CQSZACIVSA-N 420.539 1.068 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1290861337 RSDDBEHUZWOULS-CABCVRRESA-N 401.529 1.081 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O 1295048887 XUMGSZVUOIBGNW-CHWSQXEVSA-N 410.400 1.186 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1299280324 WEXHQMVLQKIGEQ-UHFFFAOYSA-N 416.445 1.791 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(N(C)C)CCOCC1 1300467953 NSEDNPNFKHOWOI-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@H]2OC)CC1 1300695977 QFUBCYWBGWLXHR-UYAOXDASSA-N 410.522 1.455 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1301221684 NIWLNUSRQHQTMO-MISYRCLQSA-N 416.570 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301587421 ZNVJYNRWPXESDI-OAHLLOKOSA-N 416.569 1.160 30 10 HDEE COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1301628214 PMQGVXXILYOAGQ-ZDUSSCGKSA-N 409.288 1.811 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3cnc(C(N)=O)s3)C2)C1 1303466643 LOUVQBWJJFHSJK-PNSNSFJUSA-N 405.480 1.967 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1303469344 FBTMNTQFNVWBNY-IBGZPJMESA-N 417.539 1.798 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)CC(F)(F)F 1303635373 FCTXCESBOTYCOV-STQMWFEESA-N 401.437 1.852 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1303642855 ZMTIDFQLHVMVPX-IRXDYDNUSA-N 424.571 1.031 30 10 HDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1304108884 AMLHSCHWYZIIJN-GFCCVEGCSA-N 408.491 1.692 30 10 HDEE Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304821101 ZPLGDVFFURXMID-OZNQOIHVSA-N 400.483 1.366 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc2c(C(=O)OC)nccc12 1309891921 NKGIBPOJCGXETN-UHFFFAOYSA-N 401.488 1.740 30 10 HDEE CCOCc1nnc(N2CC[C@@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1314332229 WTMJWDMYBJZYIE-HXUWFJFHSA-N 400.483 1.629 30 10 HDEE CN(Cc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1314764603 GKFJGDPMLIFBFW-MRXNPFEDSA-N 418.461 1.434 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)c1 1315560550 BGCJTBUCLXTIAC-WBVHZDCISA-N 412.494 1.816 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315893541 ZHVWGTOEEGBFCC-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C[C@H](C)O1 1315932192 CRJOGTAETQTVQM-KXBFYZLASA-N 407.478 1.839 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCOCCS(C)(=O)=O 1358880022 CPMZWUVUTMUNSQ-HNNXBMFYSA-N 406.508 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(C(=O)N(C)C)CCCC1 1358980227 NVXOHJNEMJTVIR-UHFFFAOYSA-N 404.518 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1358991085 NGZLORQZFJXNCM-UHFFFAOYSA-N 419.464 1.711 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1359024404 MDRMUKXQKFFUII-QGZVFWFLSA-N 423.583 1.141 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCOC[C@H]2OC)n1 1359027342 FZLAJAGJLNYALQ-PKOBYXMFSA-N 402.499 1.121 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1359134028 IMJOVOKGBKXPDW-UHFFFAOYSA-N 411.514 1.506 30 10 HDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359216002 NJQJOWHRFYJRRU-QZTJIDSGSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359295977 SQYKZUASRNZLGF-KRWDZBQOSA-N 409.494 1.024 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1359322397 VBHPOEGGMFVUDB-RTBURBONSA-N 411.506 1.971 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1359721603 ADGSJTIBYRHORB-MRXNPFEDSA-N 403.508 1.776 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1360476551 NRYXCYYMAYDVNY-NFSBEEMKSA-N 413.482 1.784 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1439796654 NQMKMVKJAUFOET-BBTUJRGHSA-N 415.515 1.244 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(C#N)c1=O 1458158902 AAGFTBAEYIGEBX-HNNXBMFYSA-N 423.395 1.449 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cccc(C(F)(F)F)c2)CC1 1459886509 MMQWBWKKGBYNMA-HNNXBMFYSA-N 419.425 1.005 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1462944899 GWCFMTFBTHLDKZ-UHFFFAOYSA-N 417.285 1.540 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OC 1463853268 GCVXMVWZXSQKBN-IRXDYDNUSA-N 408.476 1.272 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1466719120 BSWDYHNRXASXQE-YWZLYKJASA-N 412.450 1.838 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)cc1 1467528312 SPMTVWLEELDAPF-MRXNPFEDSA-N 410.430 1.433 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1468939600 PFJNRCQSZJNTJU-SFHVURJKSA-N 407.536 1.708 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1)C1CCOCC1 1470863395 BVAHGQCTKONNSI-SFHVURJKSA-N 415.490 1.600 30 10 HDEE Cn1c(O)nnc1CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1471155386 BPOAQYRXEVKHHJ-WDSKDSINSA-N 423.264 1.833 30 10 HDEE C[C@H](CC(=O)Nc1ccnn1[C@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1472262254 UYZMXKFIPHAFRP-KGLIPLIRSA-N 417.491 1.690 30 10 HDEE C#CC[C@@H](COC)NC(=O)N[C@H](CO)c1ccccc1I 1479060915 QDZGMSHHLJAQHE-SMDDNHRTSA-N 402.232 1.662 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1479189911 SOFLVKWASMCOQC-UHFFFAOYSA-N 420.539 1.035 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1504888091 HYDZFXYZRRRZQJ-SFHVURJKSA-N 419.574 1.174 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1504999440 NNBDPPZPZLGLJD-VQIMIIECSA-N 418.542 1.605 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1507520766 QUXUOCKPLUZKQS-PXAZEXFGSA-N 408.300 1.655 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ncn(C)n2)c1 1507552561 QDRQNOQHAONMQG-UHFFFAOYSA-N 408.466 1.048 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507613482 NWPUSVBPSDFFSC-HZPDHXFCSA-N 414.510 1.575 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1507623585 ZENZZKQXWGVRPR-QYZOEREBSA-N 404.559 1.098 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1507632909 BNYMYPPCMPAFME-OALUTQOASA-N 421.611 1.835 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1507690801 XAXCPIXONDWXSU-OAHLLOKOSA-N 417.539 1.006 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@](C)(O)c1ccccc1 1507712720 NDCZNKZQMVYKIM-GCJKJVERSA-N 411.506 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](COC)OC)CC1 1507739472 ICCKNCDUQOBLOM-IBGZPJMESA-N 417.554 1.638 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)N(CC)CC)CC1 1507739548 IUHYDUNUEZNUMU-QGZVFWFLSA-N 400.571 1.927 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507841358 YDUMUCHHHHNBRM-UHFFFAOYSA-N 422.493 1.520 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1507847367 KADIHPFIVMQIQX-SFHVURJKSA-N 415.542 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CC(=O)NC(C)C 1508078611 FGTFHSDMVOJTBM-UHFFFAOYSA-N 421.505 1.756 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@H]1CCCCO1 1510147957 FPQUABVRSDIKNW-HRCADAONSA-N 412.560 1.976 30 10 HDEE CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1514817148 DSGICSWFYWSRHF-LSDHHAIUSA-N 406.487 1.725 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1517847911 XDPHKXKUEFBITH-UHFFFAOYSA-N 413.503 1.474 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1519433481 YWYGWWPZBBIALA-JZXOWHBKSA-N 416.526 1.657 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)o1 1521095051 IDBAIFYYTFDCQC-SJCJKPOMSA-N 404.427 1.135 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)Cc1ccc(C#N)nc1 1523313691 QNXBRNVHUJAKGZ-UHFFFAOYSA-N 400.460 1.378 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1528571180 FSYHBNCZPASDPT-INIZCTEOSA-N 406.504 1.734 30 10 HDEE Cn1nc2c(c1C(=O)NC1(c3ccc(C#N)cc3)CCOCC1)CS(=O)(=O)CC2 1531825525 BHXZCDPTOPENFC-UHFFFAOYSA-N 414.487 1.198 30 10 HDEE Cc1cncc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1532394491 OIKRUROOFXTEBM-UHFFFAOYSA-N 413.503 1.416 30 10 HDEE CNC(=O)Cn1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1C 1535631031 AKSRPPCMHFRAJM-ZDUSSCGKSA-N 414.853 1.454 30 10 HDEE N#Cc1csc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 1536597887 CHLWJHJYVSOMFX-UHFFFAOYSA-N 410.452 1.105 30 10 HDEE CO[C@]12CCC[C@@]1(NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1537524029 FKMBCIPQQYTNFD-DQLDELGASA-N 412.446 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1539003262 BOIFJZYTWWJGLJ-CABCVRRESA-N 404.515 1.944 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539215416 BOMYIDMVQMFSJA-CABCVRRESA-N 412.606 1.631 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539224602 INNPOHZXAVBNRD-GOSISDBHSA-N 416.551 1.224 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N(C)CC 1539416455 OMNZHDJPQWLZNA-SFHVURJKSA-N 413.478 1.355 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 1539444844 VYVMTSDPGADVLO-UHFFFAOYSA-N 405.510 1.490 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CCCO)CC1 1539854753 XTLVCMNPGBYXSN-GOSISDBHSA-N 402.543 1.404 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CCC)C2)C1 1540882263 FKDGFDHCFYOJIH-ZWKOTPCHSA-N 404.559 1.930 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1541121145 CXWHUORYWUIHHX-SOUVJXGZSA-N 419.530 1.733 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1541277347 GLYKUXCFAFJPJA-MRXNPFEDSA-N 422.555 1.082 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@H]1COCCO1 1541643743 FJNVHQOSULYYBU-LJQANCHMSA-N 424.505 1.872 30 10 HDEE C#CC[C@H](COC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1543467344 CTUQFIBOMIVIOQ-RDTXWAMCSA-N 422.279 1.371 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCN2CCCC2)cc1 1555990297 GDFPCNPNRHKYCN-UHFFFAOYSA-N 409.494 1.151 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C 1556466876 QCRQNIYFKFUKKM-QKPAOTATSA-N 415.456 1.938 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21)c1cc[nH]n1 1557396019 XVWUVTFXHUZAMM-YCPHGPKFSA-N 420.466 1.274 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)OCC 1557935149 VTSXNUVCWINZNX-CQSZACIVSA-N 413.883 1.601 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)c2C1 1558014457 NCQJEYYOTZZCBH-GOSISDBHSA-N 417.473 1.950 30 10 HDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 1559026897 CJKOCWPIHZKQIL-MQVJKMGUSA-N 415.475 1.465 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1565629930 MSHUKVCRHXUDPC-HFUDNHEJSA-N 406.483 1.666 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCC(O)(C(N)=O)CC2)nnc1-c1ccco1 1568143782 CVKXWEKKSMLBMH-UHFFFAOYSA-N 405.480 1.045 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCNC(=O)OC(C)(C)C)s1 1570141840 YWFKBWDMSNHSFK-UHFFFAOYSA-N 417.553 1.738 30 10 HDEE C[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 1585296741 MXKFNDPWGZRQSN-BCHHYXHLSA-N 406.483 1.665 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1587915576 ODTRQECHJALMFZ-KUHUBIRLSA-N 422.482 1.176 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(F)c1 1587988885 DEIZOWLQGWTUOB-HNNXBMFYSA-N 406.483 1.640 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CC(=O)N(C)C 1588113484 MKPOEKLNABJGDR-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F)C1CC1 1595065490 QHIVHABNDRNUAR-UHFFFAOYSA-N 400.405 1.234 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCOC2)C1 1595784905 MYIREOYEQTUGQZ-LJQANCHMSA-N 403.508 1.558 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)c12 1595927450 QFWRYQQTUPLOKY-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE C[C@H](CC#N)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1602877064 RFGOOMQRTDLNQP-CYBMUJFWSA-N 410.496 1.978 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1n[nH]c(C)n1 1614071051 DPMGWOUPZNCRTR-INIZCTEOSA-N 405.466 1.201 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)CCCC2)cc1 1616144595 GJEQGJIDTACGPN-UHFFFAOYSA-N 413.503 1.626 30 10 HDEE C[C@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1617380509 CSTAUKCFIWYWLB-LLVKDONJSA-N 418.425 1.970 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)cc1 1618180074 FFQXAMNCZMXFRW-UHFFFAOYSA-N 415.291 1.827 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C(F)(F)F)cnn2C)c1 1621668936 GYAPWSNOSJFDJJ-UHFFFAOYSA-N 400.382 1.679 30 10 HDEE COC(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1627045358 BXFXYOVHTBYTFK-CYBMUJFWSA-N 413.455 1.601 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1Br 1629947425 BRERAOBXRWPACN-DIFFPNOSSA-N 421.251 1.194 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(Br)c1 1631153893 OYJVYXDCVYARDM-UHFFFAOYSA-N 423.292 1.589 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1633301506 SFSGTXWAFLOPBR-MRVPVSSYSA-N 424.093 1.817 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccccc2F)c1 1635894411 CGOVXDGQZZORHH-UHFFFAOYSA-N 407.398 1.422 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@@H]43)CC2)c(F)c1 1636384335 IMVKLBUBCQYCIQ-RBUKOAKNSA-N 400.454 1.420 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)s1 1636695179 SBZDDLRKUQUZTL-ZDUSSCGKSA-N 420.578 1.038 30 10 HDEE C=CC1(CC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1636997261 UQOFUBYUNGCILI-MRXNPFEDSA-N 407.511 1.696 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(Cn2cc(N)c(C(F)(F)F)n2)cc1 1637033421 TUUVUAKTZPJSNU-UHFFFAOYSA-N 416.425 1.863 30 10 HDEE C=CCNC(=O)CNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1637324600 FFFZMUAPJBBCMH-GXDHUFHOSA-N 407.492 1.835 30 10 HDEE C#C[C@@H](CO)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1637747077 WVHUWTQTGGREEA-ZDUSSCGKSA-N 400.294 1.646 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1638946237 ZVUVLWWKVFGSSR-LJQANCHMSA-N 416.503 1.829 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1639248646 BWWRLPLCLLFFJX-WUKNDPDISA-N 406.483 1.761 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc[nH]c2C(=O)OCC)ccc1F 1639514975 YTRWDYUFJZQVMZ-UHFFFAOYSA-N 410.427 1.120 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)nn1-c1cccc(C#N)c1 1640725869 APNJHDDNSHZDHS-IAGOWNOFSA-N 401.492 1.643 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@@H](O)CC2(C#N)CCC2)C1 1641631936 UMCZHBZVKIKKRH-IRXDYDNUSA-N 408.543 1.784 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1641675238 ZZUHTPDSLQKGKJ-RBSFLKMASA-N 401.529 1.270 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1642864524 JATJLIXQBKYQJG-GOSISDBHSA-N 415.446 1.273 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1644638004 GARTVOWDCSCUHS-LNLFQRSKSA-N 419.547 1.312 30 10 HDEE CONC(=O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1644905804 XKKVNLNBMQBPAF-UHFFFAOYSA-N 402.300 1.824 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 1651475074 BJAWCHVNILSWIY-UHFFFAOYSA-N 419.438 1.840 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@]1(C#N)CC2CCC1CC2 1654418600 VIBSXISUDSBSTH-LAGYLCCXSA-N 405.520 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN2CCC3(CC2)CC(=O)C=CO3)CC1 1655739077 AFDQGBGPBMKCGV-UHFFFAOYSA-N 407.511 1.794 30 10 HDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)CCNC(=O)C(F)(F)F)cnc21 1656154592 OMCKMCUSZJWIKE-UHFFFAOYSA-N 406.411 1.813 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c1=O 1656733146 VCRPCNLYUWRSOR-UHFFFAOYSA-N 414.421 1.905 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1662444904 YUGFSBWZGGJCAD-SECBINFHSA-N 406.229 1.398 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCO1 1682028781 VVUNXTCMBGUGEW-MRXNPFEDSA-N 400.888 1.332 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1683106644 LBLUBYTTZGHHSW-FQEVSTJZSA-N 400.523 1.360 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)CC1 1684654933 WHCNTZJKURUXBX-LJQANCHMSA-N 414.506 1.684 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](O)COc2ccccc2Br)C1 1685267213 UIVFACRLPSPQQY-CABCVRRESA-N 410.312 1.586 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1689998331 JOPUCDRFZYJFEA-INIZCTEOSA-N 422.455 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1690006515 RHCDROANYLOGFG-UHFFFAOYSA-N 423.502 1.103 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1690031662 SUYQQTMMLYFROR-GOSISDBHSA-N 421.505 1.109 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1690040626 JIYNGGLCTRPROH-UHFFFAOYSA-N 402.458 1.138 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1690060542 AKWFSIMDMHYURA-FXAWDEMLSA-N 424.567 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690077375 NGJLFOUVTBVBSC-OKZBNKHCSA-N 423.583 1.139 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCC2)CC1 1690146774 WDKNWVZXWXSNOT-QGZVFWFLSA-N 401.511 1.401 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690188068 CUIPYHVROQGRAW-DLBZAZTESA-N 402.524 1.598 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690464691 IMQSLQFJWZILRQ-KXBFYZLASA-N 423.539 1.567 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690483954 ZRRCWLJTCAGJIR-HOTGVXAUSA-N 402.499 1.611 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690486301 DHRNJTUFCBKCEC-KRWDZBQOSA-N 404.540 1.748 30 10 HDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)c1 1693300766 GWFHGQFILNWUMO-UHFFFAOYSA-N 420.521 1.790 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705560497 LBQUHDIZCDGFCM-OLZOCXBDSA-N 424.445 1.191 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705564775 COKNCACTFYIDHE-INIZCTEOSA-N 418.523 1.177 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCSCCCO 1705583525 ZZJKBMNTNACIAA-LJQANCHMSA-N 412.515 1.979 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1705611455 DXIGNHFWQKWLJM-AWEZNQCLSA-N 419.507 1.290 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cnn(C)c1 1705626267 OYPSILYZVJPUCZ-LJQANCHMSA-N 420.521 1.829 30 10 HDEE C#CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665178 MDOUHVAESZFAIW-WOJBJXKFSA-N 421.567 1.387 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705818810 VTBSYKXQVJMVNF-KRWDZBQOSA-N 415.542 1.922 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705821323 RULLZVOHFAIHSY-UHFFFAOYSA-N 406.494 1.817 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCOCC2)C1 1705943090 NUFFIHZMMFCLHW-UHFFFAOYSA-N 404.540 1.984 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1706071252 RGPHQWRGYVDQNC-HNNXBMFYSA-N 401.515 1.416 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1706643904 IOJSJZRXMUSKFV-SFHVURJKSA-N 419.493 1.774 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@H]1OC 1708728527 AHGOGBBIDCORED-KKVAFCGZSA-N 422.505 1.690 30 10 HDEE CCN(C)C(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1709906726 HSJYOFHPNURITN-FQEVSTJZSA-N 400.458 1.798 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1711073846 KAYCOVHNHPTUSB-SJORKVTESA-N 423.477 1.278 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1711181022 VBXHZJLIYBFWEX-GOSISDBHSA-N 402.462 1.564 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)CCO1 1711360355 GTBIKSAWQVANMQ-QZTJIDSGSA-N 412.494 1.439 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1712530094 GTGLBUNJXRHKNE-YWZLYKJASA-N 422.505 1.703 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1712671318 UKEAPLXAGMHHBY-QZTJIDSGSA-N 424.505 1.869 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1712875497 DEDJNRHUOUDQPO-HDMKZQKVSA-N 411.503 1.786 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1 1722276674 JIHIEUZIHVFSAO-CVEARBPZSA-N 405.524 1.815 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccn(C)n1 1722282060 KYXFYXMBWKKHPR-HNNXBMFYSA-N 402.466 1.355 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1722357364 ALLOYBSTZAVXAV-GASCZTMLSA-N 404.515 1.643 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(OC)C1CC1 1722391132 XVKSKUKMAQURCN-HNAYVOBHSA-N 407.540 1.166 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)C2CC2)CC1 1722431347 OAHODJSDMXPIBJ-UGKGYDQZSA-N 417.554 1.499 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722460779 ZBNUKNDBDLEGGP-ROUUACIJSA-N 405.568 1.843 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722482932 DUVBXIVTDLMSKM-AXFHLTTASA-N 412.244 1.252 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722511499 ZZLOYLLJGCEPIR-LQWHRVPQSA-N 418.586 1.858 30 10 HDEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1722539071 FQBCYUXOHZZLIW-QAPCUYQASA-N 408.506 1.652 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722608122 VEQHVUQIIJNUHF-IBGZPJMESA-N 407.540 1.495 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722616808 CWBPXZGQYDSFGG-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722690693 LUIQXAUSMKXBAN-XYPHTWIQSA-N 417.441 1.421 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2F)C1 1722709586 TUGDGUNEGBLLBC-OAHLLOKOSA-N 418.473 1.811 30 10 HDEE C=CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1722740083 PERPLQGTAVYZFY-IBGZPJMESA-N 424.571 1.311 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1724010310 IIMKOTPVYKFYMT-HRAATJIYSA-N 422.493 1.382 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1729190552 HPBOMAOKPNCOGM-LSDHHAIUSA-N 421.523 1.944 30 10 HDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1729316352 GCOSDWWMPQSCKB-JKSUJKDBSA-N 413.482 1.139 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1740536297 CVEJWAGRAUWENU-SJCJKPOMSA-N 407.316 1.560 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740566470 HLEXHTNZMWIXEX-QGZVFWFLSA-N 421.505 1.930 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1740624961 LMAMNJPCPBRNNC-SJORKVTESA-N 416.551 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCCO 1740651136 ZTVYGOFJROKBLG-UHFFFAOYSA-N 404.478 1.546 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)NCC(F)F 1740684125 WHVVPCNLTKDHED-UHFFFAOYSA-N 416.432 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2scnc2C)CC1 1740707842 RXWVXPAUUIQTRD-UHFFFAOYSA-N 416.551 1.788 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC 1740772336 KATJEHQCDPDPLU-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740800744 HXSDXSONJSBPSJ-HIFRSBDPSA-N 408.934 1.911 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)CC1 1740818767 UGMGLOCGRBKKGU-GFCCVEGCSA-N 411.557 1.507 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740946224 BKDBCCUMTUEPIY-DOTOQJQBSA-N 400.527 1.890 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1740962646 KKMICNYJXWNXPK-GOSISDBHSA-N 413.526 1.252 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1nncn1C 1740995522 OJDWSZHWKJAXQB-LSDHHAIUSA-N 421.527 1.200 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1748667443 ULFXJVIWOVRSMU-CQSZACIVSA-N 412.494 1.770 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1748680565 SXTQCBWCIWMIMT-OAHLLOKOSA-N 407.540 1.216 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748750448 GYNDBMGCPACSMY-HZPDHXFCSA-N 412.498 1.117 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ncnn1CC(F)F 1748757821 LUIVOFZDKQLTDZ-UHFFFAOYSA-N 406.441 1.307 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748812149 QXRBHLHNPAWVMY-MRXNPFEDSA-N 415.519 1.272 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCCS(C)(=O)=O 1748875883 YKVAVLRXNITQFA-UHFFFAOYSA-N 419.551 1.192 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1748895032 OJVJWBDKRBCQLV-UHFFFAOYSA-N 405.550 1.889 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)CCOC)CC1 1749009446 JCEXVXVWMWBQBE-GOSISDBHSA-N 417.554 1.811 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)C 1749114351 APBLMHJWBNGIRJ-AEFFLSMTSA-N 418.542 1.456 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)CC1 1749342587 IZOXBXFYZHNGHL-XHSDSOJGSA-N 413.519 1.544 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1749633978 TVHPEAYIYQNALL-UHFFFAOYSA-N 424.553 1.740 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1749666377 LBIGCHHOXNAXLX-CQSZACIVSA-N 408.462 1.728 30 10 HDEE COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749843161 BOGZVYSFVHOCTK-SFHVURJKSA-N 409.494 1.069 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)F)CC2)o1 1750383096 ONHIORYVQGHTDI-UHFFFAOYSA-N 419.436 1.301 30 10 HDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1750529946 IGQMYEVGXDJNNU-AEFFLSMTSA-N 408.506 1.940 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1760098418 SEZHJMNYTXZLOD-GJZGRUSLSA-N 417.535 1.524 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1760119998 FUUIGDBWJVRZRT-GOSISDBHSA-N 407.522 1.697 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760153528 UHRKTMWIVOVFEJ-MSOLQXFVSA-N 410.526 1.768 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760160868 RFSWCBVTKTYLJM-UHFFFAOYSA-N 415.519 1.176 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1760197540 ACXZBILCHMZAAC-OAQYLSRUSA-N 402.502 1.736 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1760205947 NPNSYCQHXGOESQ-QFBILLFUSA-N 412.515 1.355 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(O)(CC)CC)CC1 1760255848 AYSQVGDHDFAATF-OAQYLSRUSA-N 405.543 1.237 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1760260433 SAKZOPLCWXKJLJ-QFIPXVFZSA-N 421.480 1.537 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760325692 RSNFBMMFMZHGMH-HQRMLTQVSA-N 410.522 1.912 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760356018 DCLSYTOYGOWLKF-UHFFFAOYSA-N 416.526 1.019 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1760514871 NNESENURCDSRDT-CVEARBPZSA-N 418.542 1.456 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCO[C@H]2C)C1 1760537835 QPPQEFVJCWAFBP-NLEAXPPASA-N 422.526 1.251 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@](C)(OC)C1 1760552287 JKEYMISPEMFGRC-IBGZPJMESA-N 405.524 1.946 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1CCOC1 1761235693 IFRZIYBLBZVVGF-WBVHZDCISA-N 401.515 1.019 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762611591 YFHVAISGVCLGHF-VXPUYCOJSA-N 407.478 1.440 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1766689832 GWRSVCGTRPICFX-LAUBAEHRSA-N 417.558 1.718 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767187605 IWTLYJIESJYORG-DLBZAZTESA-N 415.542 1.468 30 10 HDEE CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1768291486 PVWIJFDYVVFXKJ-INIZCTEOSA-N 410.544 1.069 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769699283 DTFSKNAOILHQSO-IETCZJMGSA-N 402.499 1.933 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1c(C)nn(C)c1C 1769845421 NAMCKCBXMSIJFX-QGZVFWFLSA-N 401.515 1.937 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1769982944 CAYOJWGSEIULBT-IFXJQAMLSA-N 419.507 1.099 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2COCCO2)CC1 1770754232 CZMILEUPOQQEKQ-QGZVFWFLSA-N 402.499 1.336 30 10 HDEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)CC1 1849382671 DQKKRSHDSQQKCG-UHFFFAOYSA-N 405.476 1.578 30 10 HDEE CN1CCN(C(=O)c2ccccc2C(=O)N=c2[nH]cc(C#N)c3cccnc23)CC1 1850160450 PIKTZXMXQUJSBT-UHFFFAOYSA-N 400.442 1.563 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 1850279253 ZHCUOLSNVQFXFR-SFHVURJKSA-N 404.536 1.439 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)cn1 1850763734 XWFOILRGEVZEGG-KRWDZBQOSA-N 407.478 1.072 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(CC(C)(C)C(=O)Nc3ccc(CC#N)cc3)C2)c1=O 1851210547 JBEYWMIYOBLVJS-LJQANCHMSA-N 423.517 1.915 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1851974888 UBYXJDFQOVURGD-KRWDZBQOSA-N 418.563 1.888 30 10 HDEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCCN2CCCCC2)c(C)c1 1853588881 FIPCCEUVQPJZRQ-UHFFFAOYSA-N 420.539 1.689 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1 1853817606 RKZJWLPGABNBOB-UHFFFAOYSA-N 417.418 1.379 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC3CCOCC3)C3(CCCCC3)C2=O)CC1=O 1854096673 FBFZBKYPPSEQEI-IBGZPJMESA-N 417.550 1.821 30 10 HDEE COC1CCN(C2CN([C@@H]3CCCCN(C(=O)c4ccc(C#N)cc4)C3=O)C2)CC1 1854176046 DZMGCMNWJDUEHP-OAQYLSRUSA-N 410.518 1.875 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC)cc2OC)C1=O 1854184606 AMXSJYMBAWKDNC-DLBZAZTESA-N 401.463 1.164 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccn2)C(=O)C12CCCC2 1854415524 DXVUOGNAULQUIP-LSDHHAIUSA-N 402.476 1.022 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CCC(COc4ncccc4C#N)CC3)C2=O)no1 1854865085 RVHWUCOIHWWJDQ-SFHVURJKSA-N 409.446 1.782 30 10 HDEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855120679 DYNKHAVTLULBGT-NVXWUHKLSA-N 404.898 1.766 30 10 HDEE Cc1ccccc1CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856604858 ZJZBEROLEAHQID-GOSISDBHSA-N 419.503 1.840 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C1(C)C 1856774762 JHKCTUXLISMWJH-HOTGVXAUSA-N 404.511 1.156 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnccn1 1856994563 LGZOZOAJXAHHTD-HNNXBMFYSA-N 412.471 1.935 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCC(F)(F)C3)C2)CC1 1857034877 WNCBGFBJPGBGDG-CABCVRRESA-N 417.478 1.752 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cc4ccccn4c3)C2=O)C1 1857108383 RGLCSSGALCCHIQ-IBGZPJMESA-N 401.426 1.710 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C(=O)Nc3ccccc3C#N)C2)CC1 1858384744 LSZJPHBRICVMNF-INIZCTEOSA-N 404.492 1.017 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)cc1O 1864057883 LGLWKLUHUZVITB-NSHDSACASA-N 410.352 1.847 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2)cc1 1869923921 VKALIYCFYBBWSR-UHFFFAOYSA-N 406.354 1.352 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871589008 DPSXSTRLKPOPTH-UHFFFAOYSA-N 406.494 1.667 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccn1C 1874471023 TXJKEOYZRUZOBN-RGVLZGJSSA-N 402.480 1.689 30 10 HDEE C#C[C@H](COc1ncnc(O)c1I)NC(=O)OC(C)(C)C 1896153833 ZUZWXBSFOCPZOR-MRVPVSSYSA-N 405.192 1.692 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908253898 CEYGFAPCECJQEK-OWYFMNJBSA-N 422.331 1.907 30 10 HDEE C#CCO[C@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108232600 ZJLZVSMWJVGLMN-YWZLYKJASA-N 422.478 1.455 30 10 HDEE C[C@H](NS(=O)(=O)c1ccns1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130081758 NFSGDDCUVOQFDL-VIFPVBQESA-N 401.344 1.938 30 10 HDEE COC[C@]1(CNS(=O)(=O)N2CC(C#N)C2)CCCCN1C(=O)OC(C)(C)C 2174790004 XOKMXLCAYBGGRU-QGZVFWFLSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)CC(F)(F)CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180118574 XPSUHJNXVWBUHU-ZDUSSCGKSA-N 408.467 1.576 30 10 HDEE C#CCN(C(=O)[C@H](CSCCC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180120769 ZDDHCIADBLEYFQ-CABCVRRESA-N 418.581 1.672 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#CCO 2221671387 FNJLATBZWOMHEG-HNNXBMFYSA-N 411.296 1.997 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC=CCNC(=O)OC(C)(C)C)n1 2247837982 ATPJTYTXVRJGCE-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)n1 2247838921 PFHYBAKHGBEOQT-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2247916663 BWSBXEBATHKXTQ-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003564 ZIAWJMZTIBQHNM-NRFANRHFSA-N 422.331 1.747 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2267375398 GWHYXWHFJLXTPQ-CQSZACIVSA-N 409.313 1.369 30 10 HDEE CN(CP(C)(C)=O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707895 ZUPHNLXVPKXJQV-UHFFFAOYSA-N 408.291 1.784 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3(CCO)CNC3)c2Cl)OC1(C)C 2281931178 CJHJZPWRWUFOPV-UHFFFAOYSA-N 400.737 1.403 30 10 HDEE CC1(C)OB([C@H]2C[C@H](C(=O)NCCNS(=O)(=O)C(F)(F)F)C2)OC1(C)C 2281958075 DBRVARAKQHICKE-MGCOHNPYSA-N 400.228 1.414 30 10 HDEE Cc1nn(C)c(C(=O)NC[C@@H](C)CC2(C)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2281989132 VWUMSUXSJBYVMK-ZDUSSCGKSA-N 407.320 1.547 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)C(C)(C)C1 2282319873 AHEVJPYERBJEHV-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282322839 RIIBBDHEJMNYIU-NEPJUHHUSA-N 405.322 1.761 30 10 HDEE CN1CCC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282329811 RMRIIOICPBBPAO-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC[C@]1(N)CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282344713 MEIXREYWAZIVKD-KRWDZBQOSA-N 400.375 1.939 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](F)[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282415312 GFVOBZUBHUAAEW-NWDGAFQWSA-N 405.322 1.367 30 10 HDEE CNCCCN(C)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282489407 GGGTWLCKQUQEKB-UHFFFAOYSA-N 402.391 1.894 30 10 HDEE CO[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1F 2282496573 DDEXSDJBTKOGEN-STQMWFEESA-N 405.322 1.546 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](F)C[C@H]2CN)OC1(C)C 2282506704 WJLQTKQDBONWRQ-STQMWFEESA-N 404.338 1.248 30 10 HDEE CC[C@@H]1NCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282831938 GWDWWGGULQPDSY-STQMWFEESA-N 400.375 1.775 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1CC(N)C1 2282835530 WFXAUCGCZFVJLE-UHFFFAOYSA-N 400.375 1.761 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C[S@@](C)=O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838161 JVOFJNKEKJTJDA-RUZDIDTESA-N 419.399 1.355 30 10 HDEE CC(C)[C@](C)(CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839168 ZVBAFDIMNZTLJH-INIZCTEOSA-N 404.363 1.269 30 10 HDEE CN(CCCC(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284395476 LTEFIJBEWJMBLF-UHFFFAOYSA-N 403.331 1.674 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(c4nncs4)C3)c2)OC1(C)C 2285513385 LBAOFTYPPAHDTA-UHFFFAOYSA-N 413.355 1.687 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)C1=C(O)c1ccc(F)cc1 2297747841 VXRJVNSRAQFJCD-LJQANCHMSA-N 411.433 1.975 30 10 HDEE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C#N 2338907194 WSHHKTFJFOAAGA-INIZCTEOSA-N 418.519 1.312 30 10 HDEE CC1(C)OB(c2cc(=NCCn3ncc(Br)n3)[nH]cc2F)OC1(C)C 2345743694 SEHGMKBSAXJMKK-UHFFFAOYSA-N 412.072 1.408 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC3(C2)OCCO3)n1C 2362571546 OLPAXELLGLFTJK-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363922731 BEFIPGMKASRQBW-CABCVRRESA-N 413.565 1.679 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)C1COC1 2367789304 RKAJTCJVCKAOKI-HZPDHXFCSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367790001 FQFWRYGHGMLJHF-OWCLPIDISA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367803289 JNMSRCWCROPIRA-OWCLPIDISA-N 401.525 1.638 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806632 LYWZXZYDQQDJJR-ZRGWGRIASA-N 400.541 1.292 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)c1 11352018 IMEJDMIQDKEQET-UHFFFAOYSA-N 408.382 1.672 30 10 HDEE Cc1nnc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)s1 20921765 MUEAXAOBPUJRNF-AYSLTRBKSA-N 421.516 1.106 30 10 HDEE Cc1c(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 33811878 GHPZBLBLNGWHDZ-NTUHNPAUSA-N 418.500 1.451 30 10 HDEE C[C@@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 47144970 PRJFWLAGTWRNLQ-QGZVFWFLSA-N 418.563 1.950 30 10 HDEE N#C[C@@H]1C(=O)N=C2NC(N3CCCC3)=NC(O)=C2[C@H]1c1ccc2c(c1)OCCCO2 72461381 IOKMGXSYIWPDEI-BBRMVZONSA-N 407.430 1.835 30 10 HDEE C=C1C(=O)O[C@@H]2C[C@H](C)[C@]3(O)C[C@@H](OC(C)=O)[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3 98214453 MFYNTWZAYXDJQB-MLPPFUEDSA-N 410.463 1.881 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OC 110569735 ZQSGWOFNIDXZBR-OAHLLOKOSA-N 424.413 1.097 30 10 HDEE C[C@H](C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)n1cnc(C#N)n1 409611378 IOMMVSITGJBLDO-CQSZACIVSA-N 412.885 1.746 30 10 HDEE Cc1cc(C#N)ccc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 439069686 ZSQPJMIUGFELHM-UHFFFAOYSA-N 405.414 1.999 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 441226466 FRXSEDXKPIUJSA-YBUXEROVSA-N 403.435 1.520 30 10 HDEE CCOCc1nc([C@@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 460672764 DWTFYBDAQKXOFR-CJNGLKHVSA-N 412.450 1.639 30 10 HDEE COc1cc(CNc2cnn(-c3ncccc3C#N)c2)cc(OC)c1OCC(N)=O 461412433 BYPQGMOUKKDMIH-UHFFFAOYSA-N 408.418 1.632 30 10 HDEE Cc1cc(C)c2ncc(C#N)c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2c1 461452720 WBBGUKIWOCVRAY-UHFFFAOYSA-N 415.519 1.422 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463083546 GWYVERSPMRCDJC-PXNSSMCTSA-N 407.470 1.912 30 10 HDEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 464762293 JUZWRXWQIHPHHO-GOSISDBHSA-N 405.543 1.340 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 469220730 YWYIIUICPGNCJM-UHFFFAOYSA-N 414.491 1.661 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473442599 JGRGORCPXVUQAI-WBVHZDCISA-N 417.418 1.402 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc(C#N)ccc1Cl 475540994 NHGZORGTNYGCMW-SNVBAGLBSA-N 411.892 1.999 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 479039611 GXLWMUFWFSCIRH-IBGZPJMESA-N 422.464 1.725 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN2CCCC2)CC1 482149573 JSHFEEYLKLFNAK-INIZCTEOSA-N 404.536 1.559 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 482819859 CMMLLCPTRVBDJD-INIZCTEOSA-N 408.506 1.372 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 488138523 MZCHNTIOHWJFSK-ZIAGYGMSSA-N 406.508 1.543 30 10 HDEE CC(C)N1C(=O)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C 488256485 AECGAYBWSHPNPD-SFHVURJKSA-N 411.506 1.700 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)ccc1Cl 499178853 XOFXTHHUMCKMDC-UHFFFAOYSA-N 420.878 1.948 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 501884474 DYRJGIGASTWNFK-UHFFFAOYSA-N 406.335 1.743 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503636642 WJZRMAHRNJYQCE-HSTVKLOCSA-N 408.451 1.200 30 10 HDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 503871398 KZTAJPZMPBDJQF-YGRLFVJLSA-N 400.840 1.327 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)n2ncnc2n1 507524737 DDWSWIXCPVVGEN-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 510606926 SSJKSFVGIGGFOF-KRWDZBQOSA-N 417.462 1.797 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN[C@@H](CO)c2cccc(Br)c2)nc1 564124129 NMTAHSDYCBHIDA-HNNXBMFYSA-N 410.293 1.813 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3cccc(C(C)C)c3)cc2O)CC1 573461948 KQGAYAKIALHSJV-UHFFFAOYSA-N 411.506 1.761 30 10 HDEE C#CCN(c1ccc2c(c1)N(C)C(=O)CO2)S(=O)(=O)c1ccc(OC)c(OC)c1 586229003 JFVDCUVZBPXKIR-UHFFFAOYSA-N 416.455 1.888 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)o1 603798796 NUBPKFFCKFSJBD-INIZCTEOSA-N 413.499 1.116 30 10 HDEE C=CCOC[C@H](O)Cn1c(N/N=C/c2ccc(C)cc2)nc2c1c(O)nc(=O)n2C 606630937 SBKDUXLFHDRJHP-SBUZPKSBSA-N 412.450 1.154 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 609562209 USQIKHSOBOTIPE-QGZVFWFLSA-N 419.489 1.163 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C[C@@H](C)C#N)C2CC2)cc1 611101644 QSUQDJWVIJGQTC-HNNXBMFYSA-N 420.535 1.598 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1OC 611307823 YUIKSWUZAKFMNG-UHFFFAOYSA-N 408.407 1.980 30 10 HDEE C=CCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 679553839 ZFDABBVODUYNLD-UHFFFAOYSA-N 413.496 1.430 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1S(=O)(=O)NCC#N 731179829 GRVMDOCQGXRASX-UHFFFAOYSA-N 414.487 1.886 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C)cc1 734963769 MDEQBORBLXNIHE-MJGOQNOKSA-N 413.455 1.591 30 10 HDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn(CCC)c2)c1=O 735068837 GAXASTWOIWDDPY-UHFFFAOYSA-N 419.510 1.844 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F 735080097 FCOCVFXPCSWUQB-YPKPFQOOSA-N 407.345 1.649 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@@H](C)O)CC1 735832669 VKKJNWYMQFXJBC-PBHICJAKSA-N 407.536 1.903 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)ccc1OC 740199436 PGAZCEMWIHXROJ-QGZVFWFLSA-N 418.427 1.546 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cc3occc3s2)CC1 742409381 AYMVOVMCOKJIGK-UHFFFAOYSA-N 416.484 1.976 30 10 HDEE C[C@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)N(C)CCC#N 744781082 MCRIIALGSVNCJR-UONOGXRCSA-N 413.521 1.595 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CC1 749363112 LOIBHYDOUFXCFJ-UHFFFAOYSA-N 413.522 1.068 30 10 HDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 751922325 JHVMAVAHLMTZDM-ZBFHGGJFSA-N 419.551 1.129 30 10 HDEE COC(=O)[C@H](Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)c1ccc(C#N)cc1 762542935 CPLUMIYFEGIEOM-AUSJPIAWSA-N 411.462 1.717 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 765124747 RDROBTIJULMWKU-RGEXLXHISA-N 406.424 1.393 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)ccc1F 765288335 PPGYJCZAYGHTGF-GDBMZVCRSA-N 409.483 1.421 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2ccn(C)n2)C1=O 765546277 AWCBFTHZMNWXIE-INIZCTEOSA-N 417.491 1.705 30 10 HDEE C#C[C@@H](C)N(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 767254421 IAYDKCKBUFCGKC-LLVKDONJSA-N 401.282 1.283 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3ncccc3C#N)CC2)=NO1 788628268 XNDRAUOBWDGJNF-OAHLLOKOSA-N 414.466 1.271 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 790017129 YZDLIMBROPKQGQ-ZQXJJVHVSA-N 403.552 1.400 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC(=O)N2C(C)(C)C)cn1 796810922 FJNWYKUKGHGWMO-HIFRSBDPSA-N 409.512 1.104 30 10 HDEE CS(=O)(=O)N1CC[C@H](COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 801248427 VRLKMGIHZIGIGD-AWEZNQCLSA-N 414.505 1.202 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)C1 813837255 GSBWWKFNZQCVKU-MOPGFXCFSA-N 414.506 1.745 30 10 HDEE COc1ccc(CN/C(=N/CC[C@H](O)C(F)(F)F)NC[C@@H](O)C(F)(F)F)cc1 864236255 DNMVXZQVVNUIGQ-QWHCGFSZSA-N 417.350 1.967 30 10 HDEE N#Cc1ccc(NCCNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)nc1 917880313 XBCIOZDZFBBDQW-UHFFFAOYSA-N 413.381 1.844 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2S(C)(=O)=O)c1 917921726 APQHGLGNMDNEPF-UHFFFAOYSA-N 406.485 1.331 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1OC 1116917262 XFQOQCDRHDSFGW-CYBMUJFWSA-N 412.450 1.149 30 10 HDEE C=CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1125883409 FFZPWMMCMQQMNM-ARFHVFGLSA-N 401.525 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1129338690 LCFZIDMKLBYAMD-HRAATJIYSA-N 416.478 1.959 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)CC2=O)cc1Cl 1133054900 MFCOPMASIBFDPL-HUUCEWRRSA-N 400.866 1.692 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)cc1 1136273365 PZPSCKUHKKYICD-INIZCTEOSA-N 415.515 1.978 30 10 HDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)NCC#CCO)C[C@@H](C)O1 1139145751 OOSVDFFRYQJTJW-HUUCEWRRSA-N 400.504 1.447 30 10 HDEE COCCN(CC#N)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1141804891 WKRSSYKHZPOXDK-UHFFFAOYSA-N 410.677 1.362 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1)c1cc[nH]n1 1141806836 TUWZDKDVFOIAQC-INIZCTEOSA-N 416.434 1.890 30 10 HDEE C#CC[C@]1(C(=O)NCCS(=O)(=O)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1147002072 YUHIJPSYEQPHKX-OAHLLOKOSA-N 412.430 1.830 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c1 1147838884 FEOIYQATBXKBRD-IAGOWNOFSA-N 412.533 1.074 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](O)C1 1152295501 KXHZOABQAXBFGW-FUHWJXTLSA-N 411.462 1.844 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(F)c(Cl)c([N+](=O)[O-])c2Cl)CC1 1157009436 NRUXSSVAGDVFRQ-UHFFFAOYSA-N 417.224 1.548 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2ccc(Br)cn2)C1=O 1161080034 RIYYOKIQPNPCEW-CYBMUJFWSA-N 421.251 1.484 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(c3nnc(C)n3C)CC2)CCCN1C(=O)OC(C)(C)C 1164187461 OHVZRXIODMZVPN-OAQYLSRUSA-N 416.526 1.565 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1167654796 SDYGTMWZHPEOSH-FVQBIDKESA-N 416.337 1.706 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 1195034220 QUTZPEKLYPCJBK-UHFFFAOYSA-N 403.298 1.640 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)CC1 1201432421 LPVNOMIBSJBXNG-UHFFFAOYSA-N 419.551 1.540 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C(=O)Nc2cnc(OC)c(C#N)c2)CC1 1220041800 ADDZKJUQDGYIFZ-CYBMUJFWSA-N 409.512 1.876 30 10 HDEE C#C[C@H](NC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[nH]2)c1)C1CCOCC1 1253347527 FJVZHPZWMWOHEM-KRWDZBQOSA-N 411.462 1.876 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1286376767 NQTVNZCRXTXAIZ-QAPCUYQASA-N 416.503 1.685 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286451832 CLDHJNKLCHJWKA-OAGGEKHMSA-N 416.526 1.787 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn2ccccc12 1286460993 LQLKFIBJORQCGO-UHFFFAOYSA-N 407.478 1.296 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286615081 FOYXFPUEKVHYME-SQNIBIBYSA-N 422.526 1.984 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1)C1CC1 1286736389 DOTZBPHIMFMIGU-ZDUSSCGKSA-N 406.512 1.523 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1)C1CC1 1286737492 MVLSDJRBIXDWBE-RDJZCZTQSA-N 410.540 1.531 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1286748989 HRNJBVKUZZWLFY-AWEZNQCLSA-N 409.537 1.528 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1cnnn1C 1286768653 BPEGUOQVRVRDDT-UHFFFAOYSA-N 403.437 1.963 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(C)(C)C)CC1 1286788546 YJIOUQMLSFUNCO-KRWDZBQOSA-N 404.559 1.785 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(F)(F)C1 1286789267 DAJFAFNJTRIDGN-UHFFFAOYSA-N 401.421 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](C(C)C)C1 1286818492 JMRDXRAXYFRURJ-KRWDZBQOSA-N 407.540 1.746 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1286833158 WHAYJACHLRHQRQ-INIZCTEOSA-N 414.597 1.962 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc3cc(Br)ccc3o2)C1=O 1288423983 ABRDCIUCLZKVRT-UHFFFAOYSA-N 420.219 1.788 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCO[C@@](C)(C#N)C1 1289340910 OFEBMVQSPSPZRA-HNNXBMFYSA-N 401.282 1.916 30 10 HDEE CCCN1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)C1 1294632220 GISIVDUFVIHWJW-AEFFLSMTSA-N 417.558 1.657 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1298326818 AGTBJUVNKORZDN-IAGOWNOFSA-N 421.505 1.652 30 10 HDEE CN1C[C@@H]2CCCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1299710461 CZEZPSSZEDWXAJ-FUHWJXTLSA-N 418.563 1.838 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1300287101 UBVMQFFMPLFALZ-SBGRQLAYSA-N 422.493 1.309 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1300358172 LKCFJTJRFBKWKJ-OAQYLSRUSA-N 408.510 1.968 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1300464566 GOJMHUDLZBRDAG-NSHDSACASA-N 412.409 1.167 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1300506128 NEAPTIKCFNSWEN-WMLDXEAASA-N 415.475 1.269 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300574565 DBSRTSRODRKHKC-AVRDEDQJSA-N 406.490 1.926 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1300701213 KWTLXRFYCKQTSQ-UHFFFAOYSA-N 423.565 1.512 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 1301120385 PIVXPUNLEWOIMD-IBGZPJMESA-N 415.586 1.659 30 10 HDEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301181717 AWTREHRJILANOZ-UHFFFAOYSA-N 413.526 1.803 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC1 1301420554 FLOUSDWKVAJGAP-UHFFFAOYSA-N 400.527 1.787 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccc(F)cc1 1301422733 VHUBOXKIPKIUQN-UWJYYQICSA-N 417.485 1.915 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@@H](C)[C@H]1C 1301479109 TZZPDGNVZWHCRT-KGLIPLIRSA-N 408.572 1.829 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301503193 VIFAATBYOAGYMA-HUUCEWRRSA-N 406.531 1.882 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301611272 AMWLEZRCBHWIMV-AWEZNQCLSA-N 415.585 1.219 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1303384794 DGMILSJAVDDHDI-UZLBHIALSA-N 403.531 1.267 30 10 HDEE Cc1csc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CCC#N)CC2CC2)n1 1304628685 DQJAJMXTYWAJBZ-ZDUSSCGKSA-N 423.568 1.832 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N(CCN3CCOCC3)CC3CC3)CC2)nc1 1311849357 FBGQQAWXITVBBE-UHFFFAOYSA-N 412.538 1.676 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1329535457 ZPNXDROJRVCUCR-BFUOFWGJSA-N 422.489 1.861 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 1349141093 ZQWAOVVUDJFIHB-UHFFFAOYSA-N 423.882 1.748 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1conc1COC 1358999555 VKXJMCUCJGYLKI-LPHOPBHVSA-N 413.478 1.648 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1359002456 ZVSKHRYTYGZKFE-LJQANCHMSA-N 410.540 1.215 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1359011382 VGYPTIDFNUKSDF-UHFFFAOYSA-N 415.448 1.781 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1359023438 KTRPREBXHUVVLH-DYESRHJHSA-N 415.494 1.433 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)C(=O)NC)CC1 1359037088 VJVUQKLEEMDILK-UHFFFAOYSA-N 412.513 1.535 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N2CCOCC2)CC1 1359037805 XYYLZWODVWOJAP-SFHVURJKSA-N 414.579 1.406 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCc2cnn(C)n2)CC1 1359040909 JCNPNYAIGWXINN-MRXNPFEDSA-N 412.542 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1359041308 SOXDDRVUTOGZEB-UHFFFAOYSA-N 418.505 1.490 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(C(N)=O)C1 1359077549 FKSLVXOJHVMKIR-WBMJQRKESA-N 416.320 1.612 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CC2)CC1 1359221904 RJGBFKWECBMPBQ-UHFFFAOYSA-N 402.543 1.639 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1360474764 VKFIZUSJZNNMJW-GJZGRUSLSA-N 416.482 1.940 30 10 HDEE O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN/C(O)=C1/N=CC=CC1=O 1443540699 YQGPPVYWLXKYRW-ICFOKQHNSA-N 411.384 1.423 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1[nH]c2ccccc2c1C#N 1450964014 NLKXXACOGOZBIE-IAQYHMDHSA-N 400.460 1.622 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452502778 WJXCUFKLNUDNDF-MSOLQXFVSA-N 424.592 1.656 30 10 HDEE CCC(CC)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1453876693 JJARNUIQKHEBMR-UHFFFAOYSA-N 409.483 1.844 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 1454244147 WEVCKLDLMWUVHX-UHFFFAOYSA-N 404.474 1.606 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCCS1(=O)=O 1454527543 FRFGZVBJKIXWNH-OAHLLOKOSA-N 403.545 1.778 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1 1454689394 ANDNPZIQHWEICZ-UHFFFAOYSA-N 409.511 1.556 30 10 HDEE NC(=O)[C@H](C1CC1)N(CC1CC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1454919194 GMNDZZAJLUGFHY-SFHVURJKSA-N 418.519 1.008 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nn2nnc3c2CCCC3)C1 1456201518 VVFGWQGWSLFWFG-UHFFFAOYSA-N 401.268 1.998 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1OC 1456480166 YLIQOCDIMFEGRB-SFHVURJKSA-N 415.471 1.689 30 10 HDEE CS(=O)(=O)C1(C(=O)N[C@@H](C#N)c2cccc(Br)c2)CCOCC1 1458445032 AZXRQEBAOQEBJP-ZDUSSCGKSA-N 401.282 1.724 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1461163660 XEQRKXIIDYUKHI-MRXNPFEDSA-N 413.293 1.279 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)OCC)c2ccncc2)c1 1463898541 AYFCSRGSZCLRFX-GOSISDBHSA-N 417.487 1.970 30 10 HDEE CC(C)C[C@H](C#N)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1464664546 AJPODVGSLIGAQS-FPCVCCKLSA-N 413.540 1.711 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1465708989 KWGFXRVUQSLBIA-OLZOCXBDSA-N 414.890 1.517 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1468876030 SPDRKEFKKGGORU-CYBMUJFWSA-N 400.884 1.712 30 10 HDEE C#C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 1470664373 YYZAMMGEGSUFOF-CVEARBPZSA-N 407.312 1.762 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1474938523 BUWSPUZCVURCPV-UHFFFAOYSA-N 411.480 1.880 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)C1CCCCC1 1490876958 VMWWHRHPVPESBO-QQXKLLMISA-N 403.523 1.522 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1507513758 BFBFXRHNQNWDSJ-RRFJBIMHSA-N 424.596 1.711 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507612493 FQSKAUNKRRVCJF-YLJYHZDGSA-N 422.533 1.568 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CCC)C1 1507637516 QTMAVOJAPMFURH-GOSISDBHSA-N 405.506 1.730 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1cc(C)oc1C 1507711087 NOGXGRSRPZKLPJ-DYESRHJHSA-N 402.495 1.986 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(CCC)C2)CC1 1507724149 IMHMZBRABWKOEV-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(N(C)C)CCSC2)CC1 1507731104 ALGPBJTVMCQLPZ-WIYYLYMNSA-N 418.611 1.712 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1508041731 SGBFUJCOHZYFEP-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508132256 WFODWQVWEUIWPJ-OAGGEKHMSA-N 409.556 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508139503 BFOKZZLOEOWYGQ-DNVCBOLYSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](c2ccco2)C1 1508143017 WARQFUDNLMFQIG-HZPDHXFCSA-N 406.508 1.970 30 10 HDEE CC(=O)Nc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1508284122 DDVZVWFOWRENNH-MJGOQNOKSA-N 410.478 1.712 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509938631 HMLVRRUOOYQISB-SPLOXXLWSA-N 422.493 1.675 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511142877 VOKLKTDUNUPOFN-LZICOFPGSA-N 423.477 1.400 30 10 HDEE Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)n1 1511154012 FLEYKEGJDXELGJ-GOSISDBHSA-N 409.494 1.579 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)on1 1511961321 FGAUCWLGRKYBSH-HNNXBMFYSA-N 421.461 1.740 30 10 HDEE CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1512634192 AJWVWBNKEYBDII-CABCVRRESA-N 412.560 1.643 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1526639643 GLFHIBJYRSZXFF-OALUTQOASA-N 408.520 1.899 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(C)CCOCc1ccc(C#N)cc1 1527289401 XFOPCFJKFQPUKH-UHFFFAOYSA-N 402.495 1.343 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccn(CCN4CCNC4=O)n3)C2)c(F)c1 1535818750 DCDBUQYBWJSXNZ-HNNXBMFYSA-N 411.441 1.384 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)N1Cc2ccccc2C1=O 1536546268 BVCVTADDVGTMBY-HXUWFJFHSA-N 412.511 1.971 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1539002707 GZVMOFTWWYXLQR-RCDICMHDSA-N 406.490 1.811 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccccc1F 1539175387 XEGBQQQNYKPDMM-UHFFFAOYSA-N 424.436 1.644 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539218992 AWQLWUXZEHMNQF-IRXDYDNUSA-N 422.551 1.452 30 10 HDEE C=CCCOCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1540043033 VBULEDNMKSGFTD-UHFFFAOYSA-N 413.588 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540897411 IKZWAMVLECKHHD-CVEARBPZSA-N 423.583 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540898838 WMIPUKWDSOGFCJ-HNNXBMFYSA-N 413.544 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCOC2(CCOCC2)C1 1540903105 YMZUJQZIOFDEPJ-UHFFFAOYSA-N 410.540 1.532 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)c1 1542150833 HJDRTOBHLYTEQL-UHFFFAOYSA-N 407.426 1.106 30 10 HDEE Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1542489903 YERUDUIFXUFELU-SFHVURJKSA-N 412.494 1.923 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)COCc2nccn2C)cc1 1544462700 IIKULZVMFJWREU-PGMHBOJBSA-N 405.480 1.388 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1544679660 ATDSDZHWALGNHV-FPCVCCKLSA-N 411.424 1.140 30 10 HDEE CC[C@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1545230595 PNODKVRRXOGEOR-QFIPXVFZSA-N 419.489 1.960 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)CC1 1547730772 LYRYNEBIBIIFHH-GOSISDBHSA-N 413.574 1.692 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1554322442 VWFNKGCSHFNSQQ-WIYYLYMNSA-N 413.478 1.495 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1555328621 VSPIARGOBKAFTO-CQSZACIVSA-N 421.461 1.666 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1555484577 UHVILHLQMSZQRN-LJQANCHMSA-N 414.510 1.651 30 10 HDEE Cn1ncc(C(=O)NCc2ccc(C(=O)NO)cc2)c1I 1556381788 HUNFQPBQSPHNEO-UHFFFAOYSA-N 400.176 1.074 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccccc2NC1=O 1557295060 BLKDIZPLBGPIJG-FZKQIMNGSA-N 412.471 1.295 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)c1 1557727288 MKZJBVJMOHZTGY-LJQANCHMSA-N 415.490 1.394 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCN(CCC#N)CC1)N2C(=O)OC(C)(C)C 1557980675 JEJDQMMYQKPWBX-LUKYLMHMSA-N 420.510 1.231 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(Br)cc1C#N 1560058356 PQGFVDSDGRZLPQ-CQSZACIVSA-N 401.282 1.483 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(O)(c2ncnn2C)CC1 1560114993 JXDKITIARAMDRL-HNNXBMFYSA-N 400.458 1.573 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1 1562359745 USLIJCISSMKQHG-LJQANCHMSA-N 413.522 1.201 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(COC(C)(C)C)cc2)CC1 1562465438 GILDQNWTWSJHLC-UHFFFAOYSA-N 408.524 1.619 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3cccc(C(F)(F)F)n3)C2)c(=O)nc1O 1564812526 XOQNOUDQIAULEW-UHFFFAOYSA-N 408.340 1.043 30 10 HDEE COc1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c([N+](=O)[O-])cc1F 1585101360 UUDNOCNNKUYCSV-UHFFFAOYSA-N 402.386 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CCOC 1588228305 DGLRNKAFYXSSKQ-KRWDZBQOSA-N 406.552 1.706 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N(C)C)c1 1588561069 ZSFXRNDJLNCTHW-UHFFFAOYSA-N 410.522 1.714 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1588660212 STTLGOKGDATZGU-OAQYLSRUSA-N 401.486 1.161 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)CC1 1589110430 VMNDNBAENXPPOX-UHFFFAOYSA-N 402.568 1.441 30 10 HDEE C[C@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@H](O)CN1C(=O)OCc1ccccc1 1594797752 SBBWATPZIGZTFP-PGRDOPGGSA-N 423.473 1.643 30 10 HDEE Cc1nc(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)n[nH]1 1595454534 NYBMBJYBDOWMLF-UHFFFAOYSA-N 401.268 1.810 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC 1595536458 APNIQHRLCRAQPJ-UHFFFAOYSA-N 409.494 1.731 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1595562334 VMLQUXJDFUIBGF-DYVFJYSZSA-N 416.551 1.940 30 10 HDEE C[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)COCCO1 1611800765 JKNKSQOGIROXHL-FQEVSTJZSA-N 402.499 1.450 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1613594233 DTCNJILGHGPQIK-AKCHCHLHSA-N 404.515 1.476 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 1615280366 RJJBIGXFVHJECE-NVXWUHKLSA-N 400.479 1.179 30 10 HDEE C#CCN(CC(=O)Nc1ccc(F)c(N2C(=O)CNC2=O)c1)C(=O)OC(C)(C)C 1617736763 NXCCTYACDVNEEV-UHFFFAOYSA-N 404.398 1.691 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCOCC1 1618331143 RAAGXCSPJBZJNG-UZLBHIALSA-N 421.856 1.791 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CN(C(=O)OC(C)(C)C)C1 1620995158 JKROMGCRIGHKOI-HNNXBMFYSA-N 417.510 1.763 30 10 HDEE C=CC1(CC(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)CN(C(=O)OC(C)(C)C)C1 1625504858 GHYSHCKSEVYHRW-UHFFFAOYSA-N 417.510 1.944 30 10 HDEE N#C[C@@]12CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]1CS(=O)(=O)C2 1626655335 DKOHUPGRVACKMN-KXBFYZLASA-N 418.475 1.208 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1629625168 WXDGEQFPTYEKAL-FUHWJXTLSA-N 401.492 1.098 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)o2)cc1 1635341110 FVHJUQOAYDVOEI-OAHLLOKOSA-N 404.444 1.352 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1635721201 HKUWCZMITMINHC-UHFFFAOYSA-N 418.450 1.241 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1635810759 USTUJFBHJDJSMU-GUYCJALGSA-N 408.501 1.104 30 10 HDEE C=CCn1c(SCC(=O)N[C@H]2CN(C)NC2=O)nnc1-c1ccc(Cl)cc1 1637275617 MKQVAELEZOORBO-ZDUSSCGKSA-N 406.899 1.338 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ncccc1Br)c1cc[nH]n1 1637520861 QOLDHOUPVPJCQG-UHFFFAOYSA-N 410.228 1.167 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1639123021 RYEORDKYMPZHTG-ADLMAVQZSA-N 409.874 1.792 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1=O 1639887116 XJKMKRCQBCPIRU-LBPRGKRZSA-N 414.849 1.772 30 10 HDEE COCCN(CCOC)C1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1640611683 IDAUPYLBRUOWJG-UHFFFAOYSA-N 406.552 1.776 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C12CCC2 1641441563 AEYLLVGQTRTKMS-CQSZACIVSA-N 417.466 1.259 30 10 HDEE CCOC(=O)CCN(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1642919701 CDFMULOAGXWHIW-UHFFFAOYSA-N 409.508 1.697 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCC(=O)N1CCN(c3ccccn3)CC1)C2 1643166766 FIYYULDQVDYSPA-FQEVSTJZSA-N 403.486 1.666 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1645728405 XNEANHKNRVJDFM-FQEVSTJZSA-N 409.442 1.905 30 10 HDEE O=C1C[C@H](CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1648125981 WTKJOZYMPSULLC-FSDSQADBSA-N 408.245 1.669 30 10 HDEE N#Cc1cc(NCCS(=O)(=O)NC[C@H]2CCCCO2)ncc1Br 1651533610 ZDRGYCUCLOSMKD-GFCCVEGCSA-N 403.302 1.616 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1651571571 MAYGGCDCHVIWBQ-UHFFFAOYSA-N 400.483 1.680 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CS[C@H](C)C(=O)NCC(=O)OC(C)C)c1 1652887205 QGKBJFZOEWVWMV-CYBMUJFWSA-N 405.476 1.506 30 10 HDEE CC(C)Oc1ccc(CCNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1655683467 CWFJECJSWGHBHG-PXNSSMCTSA-N 405.520 1.003 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3[C@H](C)CC[C@@H]3C(=O)OC(C)(C)C)CC2)o1 1659322249 NIEZQKVAJKCHQU-RHSMWYFYSA-N 417.510 1.698 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1663720097 GIEOLTDCPAOMDN-UHFFFAOYSA-N 401.423 1.790 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1668852642 VXMBARILJZVWGC-KGLIPLIRSA-N 406.501 1.050 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cccc(I)c2)CC1 1671635397 XCSWMRJOYPGROO-UHFFFAOYSA-N 404.273 1.667 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1680852913 CUBXEIVTDAGEBR-YQVWRLOYSA-N 402.470 1.835 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1682362431 ZSFRPWYZLWTFBP-LBPRGKRZSA-N 403.426 1.922 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)c1ccccc1 1689824731 WDOOKPIEQHHJOS-HNNXBMFYSA-N 403.508 1.348 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1689825819 CZIPPOHFVJUYBI-UONOGXRCSA-N 418.523 1.353 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1689826777 UREZJYJPAGPVBG-HUUCEWRRSA-N 404.540 1.461 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1689950877 FFSUZJJLKMQJJE-FQEVSTJZSA-N 417.535 1.426 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1690062126 DGYXXWUHJGMTNK-UHFFFAOYSA-N 421.299 1.354 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2csc(C)n2)CC1 1690154605 UHVWHANWWHYQMC-UHFFFAOYSA-N 416.551 1.788 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1690248155 KZOJYERTKRPCSX-QKLQHJQFSA-N 410.522 1.947 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCNS(C)(=O)=O)C1 1690693601 DVPXIYFANLRWPK-HNNXBMFYSA-N 408.528 1.004 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C(C)C 1692213130 BRXNPMOLSHSASM-UHFFFAOYSA-N 424.553 1.842 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1698303177 GHSNCMHQJNIOOG-KRWDZBQOSA-N 418.523 1.208 30 10 HDEE C#CCCCCC(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)(COC)CC1 1702066434 CRNQCQQMDIAGIW-IYWGDAJJSA-N 402.535 1.975 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1705478801 GEVSFGLFWQAFLT-RXVVDRJESA-N 405.543 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1705496766 MZBPXEVVCDWQRT-HOCLYGCPSA-N 410.478 1.324 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705540376 XLLKJPWEFFPYJL-BZSNNMDCSA-N 420.535 1.042 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1705604231 IFNWSBNTCQZWSU-CQSZACIVSA-N 421.523 1.413 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2CCN(C(C)=O)CC2)n1 1705631359 BOOOOLVNIGIAIB-UHFFFAOYSA-N 413.526 1.328 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OCC)CC1 1705631873 CIHCRKJVWPMSRY-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ncc(CC)s2)CC1 1705639183 IIVZWHKNBFBXAK-INIZCTEOSA-N 400.552 1.995 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCn2ccnn2)CC1 1705641672 OMJQFLBZAAFNPT-UHFFFAOYSA-N 404.522 1.500 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1705736235 OQCBQQNXZZEXJB-MRXNPFEDSA-N 404.515 1.304 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)CC1 1705780224 JVCRHAOCHSPIET-QGZVFWFLSA-N 402.543 1.742 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1705875779 FXRDUOCQXURRJO-HNAYVOBHSA-N 406.508 1.859 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CCO1 1711360203 DKLQDWWJKKCLJU-SFHVURJKSA-N 423.521 1.252 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1712168020 WKMMOVLOOHCYBR-SJORKVTESA-N 421.498 1.815 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCOC1 1712453571 SLYUOUVLAYURDR-SFHVURJKSA-N 406.874 1.511 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722327200 CGYHNJDPRPNJFN-SFHVURJKSA-N 417.473 1.703 30 10 HDEE C#CCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722339172 RBAFCIFORJFYGG-FVJLSDCUSA-N 401.511 1.447 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365510 FCLFWLNTAHENEX-PKOBYXMFSA-N 415.563 1.992 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCOCC2(C)C)n1 1722428151 SHIZXWBWNLQWHE-UHFFFAOYSA-N 415.542 1.180 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1722437966 XQFUVMQKSGNIPD-FIKGOQFSSA-N 400.527 1.332 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)CC)CC1 1722579196 LQELZCBBXWZPSC-UHFFFAOYSA-N 406.556 1.977 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1722633657 BQXMNUPVPCJRFJ-UHFFFAOYSA-N 409.454 1.385 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1722700908 YNOOLKRIIQSRIC-INIZCTEOSA-N 400.458 1.025 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1729706439 BBYCSRWMBAZSHG-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCOCC1 1730871723 WLRIQQLMILUDSY-QFBILLFUSA-N 418.542 1.605 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CC(=O)NCc1ccco1 1731187864 AWDPPYLHMKPRRT-UHFFFAOYSA-N 406.450 1.775 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740625078 MCHOBUCORQUSKI-QGZVFWFLSA-N 420.510 1.406 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCOC1 1740681265 FKEFDBREWDGPNZ-KRWDZBQOSA-N 422.493 1.433 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)nc2OC)CC1 1740695074 CQDXZCCCGUQTAS-UHFFFAOYSA-N 407.478 1.489 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC(C)C)CC1 1740704319 NPKQHSGCZGZDCL-UHFFFAOYSA-N 423.521 1.221 30 10 HDEE C=C(Br)Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740749906 HGESJCQOLGYLHC-OAHLLOKOSA-N 419.345 1.408 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740792636 ZYJMWMMRZBVOGX-GJZGRUSLSA-N 408.528 1.586 30 10 HDEE C=CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1740900176 VPUVGPCZFJIUPZ-UHFFFAOYSA-N 417.518 1.587 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1)C1CC1 1740909828 AVYWZGAFZLJBIG-CYBMUJFWSA-N 410.931 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(C)(C)OC(C)(C)C1 1740990053 HBBGLZQDWWSJTK-UHFFFAOYSA-N 422.555 1.673 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1741000279 WZEHURKHURYYLR-AWEZNQCLSA-N 410.569 1.710 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1741003601 YBZCSBUDRNSRGV-BZUAXINKSA-N 414.597 1.961 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1741517394 BOZHZDLIPAKASO-KXBFYZLASA-N 406.556 1.863 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1741686550 HYVVOSPKXWMZCC-GOSISDBHSA-N 421.505 1.542 30 10 HDEE C[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1741840493 YBSLMGLMCKTRCZ-CQSZACIVSA-N 404.478 1.825 30 10 HDEE CC1=C(Br)CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1742018587 KOTCQACZZDMXRL-NXVVXOECSA-N 421.299 1.992 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748707875 MQURJKIUIQNLGU-UHFFFAOYSA-N 423.521 1.718 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCC 1748784351 KTKMTORUXQHNIK-IBGZPJMESA-N 404.540 1.859 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1748788748 DKTIFCWPKSOCLB-QGZVFWFLSA-N 416.503 1.827 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748822193 ZYWFKBTYMFIADA-SFHVURJKSA-N 421.567 1.164 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1748935586 YGDLIXBIRCSIRK-JKSUJKDBSA-N 417.535 1.781 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)NC(C)C)CC1 1749348280 LWGFCGPGUNTQKS-UHFFFAOYSA-N 424.571 1.131 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749640278 LKZWMRGCBIBACB-UHFFFAOYSA-N 407.540 1.524 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(Cc1ccnn1C)C1CC1 1749676523 UDBMBLGKVAAPFP-UHFFFAOYSA-N 406.494 1.469 30 10 HDEE C#CCN(C(=O)CCOCC(C)C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759984004 HEPSETGECRJBFH-JRHPMUGDSA-N 402.535 1.925 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCCOC 1760218134 YHSMFHFBZSXYGN-SFHVURJKSA-N 422.489 1.161 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(C)C 1760219411 DHCBBJOSLMPYAB-SFHVURJKSA-N 405.568 1.373 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC(OCC)C2)CC1 1760258334 LIZBRJNXMBCLDV-UHFFFAOYSA-N 420.517 1.502 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1760262126 UVDYCHUDBALYKJ-UHFFFAOYSA-N 424.549 1.758 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(=O)NCC)c2)CC1 1760270309 OPMICKXXKXNVQV-UHFFFAOYSA-N 422.533 1.604 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC(=O)NC 1760313011 HOTWTJSXKLDOSE-RDJZCZTQSA-N 404.515 1.068 30 10 HDEE C=C(Cl)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1760388351 RPRAFXNECYZUST-QGZVFWFLSA-N 420.963 1.942 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760425549 PNIPISBROORRFF-OALUTQOASA-N 415.586 1.802 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760438185 ANWAKDRUOGNQNY-IRXDYDNUSA-N 417.558 1.232 30 10 HDEE C=CCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513451 XVUGGWVKSBCYJR-GOSISDBHSA-N 413.544 1.023 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)C1 1760542022 CAQUPVSWYXTIGN-SJORKVTESA-N 424.567 1.657 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cn2)C1 1760550492 ZTGKCZVBGWANRJ-QGZVFWFLSA-N 400.458 1.764 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1760696429 QTLLNNQJNLWHCP-GOEBONIOSA-N 422.555 1.082 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)COCCO1 1764909243 HRCMREJPMSCYOS-OAQYLSRUSA-N 414.485 1.983 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)CC1 1765561741 CXTSGIIIDYWLDW-MOPGFXCFSA-N 403.575 1.796 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1769717735 FBQVQONUUJTIKW-GOSISDBHSA-N 409.494 1.894 30 10 HDEE COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1770964418 XHMJOFDIBAJCME-PBHICJAKSA-N 414.466 1.154 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1771166752 RZBPOFAUZATCOS-OAGGEKHMSA-N 413.544 1.708 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772785920 MDVFSSDCUUGARS-SNVBAGLBSA-N 408.819 1.761 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1850264422 DRPFYHZETWZMHS-LJQANCHMSA-N 407.511 1.584 30 10 HDEE C#CCC(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1851108736 CMQLCLJCLYWFOZ-UHFFFAOYSA-N 408.437 1.189 30 10 HDEE COc1ccccc1OCC(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851257254 MVZIXTWONIEOCX-UHFFFAOYSA-N 406.446 1.603 30 10 HDEE Cc1nc(NC(=O)c2cnc3c(C#N)c(C)nn3c2C)cc(N2CCN(C)CC2)n1 1851773484 AZJIGZSCXOGAEV-UHFFFAOYSA-N 405.466 1.320 30 10 HDEE C[C@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)n1nc(C2CC2)ccc1=O 1852078381 NDFJXKWJPYJVRD-MRXNPFEDSA-N 422.489 1.314 30 10 HDEE N#CC1CCN(CCNC(=O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 1852536740 QNGPSIXUNZCVSL-UHFFFAOYSA-N 422.464 1.654 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 1852983464 IYABYYOJLJXNGV-CYBMUJFWSA-N 414.528 1.705 30 10 HDEE CN1CCN([C@H](CNC(=O)Cc2cc3c(cc2C#N)OCO3)c2ccsc2)CC1 1853394266 LBNKCCABNJCLHF-GOSISDBHSA-N 412.515 1.996 30 10 HDEE COc1ccc(OC)c(CN2CCN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)CC2)c1 1854005626 FZBZCOSFUISCSV-KRWDZBQOSA-N 414.506 1.500 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccn3)C(=O)C2)cc1 1854037393 JUXAAQYUPMYXEU-DLBZAZTESA-N 410.455 1.116 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(Cn4ccnc4)CC3)C2=O)CC1=O 1854057650 VBRDNZLZIYXTDA-RBUKOAKNSA-N 413.522 1.147 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2ccc(F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854131914 UYWZPPCOQBDFDQ-RBUKOAKNSA-N 401.482 1.995 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3cccnc23)CCN1CCOc1ccc(C#N)cc1 1855924181 UHFJONMQQAJISD-HNNXBMFYSA-N 404.430 1.353 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)n1cccn1 1856081865 TYNHXYBREGUORP-CQSZACIVSA-N 402.476 1.757 30 10 HDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1C 1856152482 GMGKVZQWZGYHOF-HNNXBMFYSA-N 407.492 1.374 30 10 HDEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)CC1=O 1856496184 BPUWADNFTJTUGW-RHSMWYFYSA-N 402.882 1.974 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@@H]1CCN(C)C1=O 1857265130 SWVJMUIJEWNRMM-WMLDXEAASA-N 403.454 1.542 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(Cc2ccccc2)CC1 1858060308 JFIYZTUHIGHZAB-KRWDZBQOSA-N 412.515 1.569 30 10 HDEE CC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)n3ccccc23)CC1 1858241777 DHDYPFGOOCHDCI-UHFFFAOYSA-N 416.441 1.763 30 10 HDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccncc1 1870110908 NRWCSMDUAQAAJY-UHFFFAOYSA-N 407.346 1.620 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@@H]2CCCO2)cn1CCO 1870547081 YPDJYAGWQATWKS-IBGZPJMESA-N 419.522 1.031 30 10 HDEE CC(=O)c1sc(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1C 1872796089 LJYXCEYMXCHSIC-UHFFFAOYSA-N 406.489 1.014 30 10 HDEE N#Cc1cc(C(=O)N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ccn1 1889626467 LXKUAJQOUOZXRW-UHFFFAOYSA-N 402.340 1.372 30 10 HDEE CN(CC#CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Cc1ccccc1 1890908141 KMRGGGAYTOFCCX-UHFFFAOYSA-N 420.425 1.442 30 10 HDEE CC(=O)Nc1ccn2ncc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)c2c1 1891545610 WOFLGCAUCOYXIN-OAHLLOKOSA-N 405.418 1.638 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)N3CC[C@H](O)C3)c2)OC1(C)C 1914063351 WAMCRDPURQHOOY-LBPRGKRZSA-N 402.709 1.363 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2029312414 SIJZOVNDEISVPI-CQSZACIVSA-N 407.492 1.955 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CC#N)CC1 2046023648 UNBMXCYKDQICEO-IBGZPJMESA-N 407.467 1.966 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCOC1 2174782351 PNPCBJWGQZHHKU-CABCVRRESA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1 2174783205 ZLFIQIDQDMRQIK-KKUMJFAQSA-N 402.517 1.129 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@H]1CC(F)F 2177301819 XIRCOZXVILERMP-CHWSQXEVSA-N 408.471 1.653 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 2181131158 QQWUWSUIPCQSLP-KGLIPLIRSA-N 402.517 1.243 30 10 HDEE CC(C)(C)OC(=O)NCC1(CO)CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 2202902604 SNVJXLAUPNACEM-UHFFFAOYSA-N 415.537 1.908 30 10 HDEE CC(=CCNC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243675675 ZKIODAOEKCPVTM-UHFFFAOYSA-N 424.332 1.669 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2247931140 DYPYMLHTNQQBKZ-VFNWGFHPSA-N 420.315 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249999872 ATERSIARZGDENF-JKSUJKDBSA-N 422.331 1.888 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282063315 KFTNNQBKFHVGJW-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C[S@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282317117 MSLSTSRSHOGVOA-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](CO)C1 2282320402 ICIFWHBOSZIDRG-CYBMUJFWSA-N 401.359 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)CC(N)=O 2282325154 ACCORRWFMRCONT-SNVBAGLBSA-N 402.347 1.240 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282498557 GITHUYLMKNLKLQ-SHZVTRLKSA-N 401.359 1.172 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282499045 MLUTYTJEAQLFJX-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE CO[C@@H]1CCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282502225 ICRYUGQJUBMBTB-CQSZACIVSA-N 401.359 1.988 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CC(SC(F)F)C2)n1 2282504607 RHPGUDJIDGKCOL-UHFFFAOYSA-N 409.289 1.048 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2282654520 KUQGLCSFIOKJGL-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282687008 ZLMUXTIJKJEFII-PBHICJAKSA-N 402.300 1.994 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)[S@](C)=O 2282825289 ISYYSHOKCDBHMJ-CANCMXDXSA-N 401.359 1.340 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](C)NC2)sc1B1OC(C)(C)C(C)(C)O1 2282825714 LRGQKNVHEHEWTK-QWHCGFSZSA-N 400.375 1.775 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@H](O)C1 2282829208 BICIPQQFMUJUCZ-OLZOCXBDSA-N 401.359 1.938 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)C(F)(F)F 2282830212 QKIWKZDHQFQVQF-SNVBAGLBSA-N 415.264 1.557 30 10 HDEE C[C@@H]1CNCCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282836865 QDGJFRPAEOHPPW-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@](C)(O)C1CC1 2282841732 XQHPRWOKICIRIN-KRWDZBQOSA-N 401.359 1.795 30 10 HDEE CNCCCCN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844035 WVZSPDSBYBVNOP-UHFFFAOYSA-N 402.391 1.809 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282850610 QZGQCQPEDLFGRA-STQMWFEESA-N 401.359 1.686 30 10 HDEE CCC[C@@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284401143 FAZNZGPUDIESJW-MRXNPFEDSA-N 403.331 1.969 30 10 HDEE CC1([C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(=O)O)CC1 2284409899 OTHGZUZBSJLVMC-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CC[C@H](C(=O)O)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284414102 DQKCTLCSZNKHDF-LLVKDONJSA-N 404.319 1.067 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNS(=O)(=O)N2CC[C@H](C#N)C2)C1 2290018162 BHQWDVWWOIUYSX-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccn2C)cc1OC 2326737775 XFNVSRPBJGOAEA-UHFFFAOYSA-N 414.491 1.684 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccco1 2330769949 GWMCTLCDSJTPIM-UHFFFAOYSA-N 404.496 1.930 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1([C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2379659589 SUXYSLYYRLZGPL-GPINWOSQSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1([C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2379659590 SUXYSLYYRLZGPL-XMDUPGNXSA-N 400.541 1.291 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)C[C@H](C)S(=O)(=O)[C@H](C)C1 2380751037 ZLQFRMGDYFFPIB-ZSBFGKGUSA-N 404.529 1.856 30 10 HDEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20806382 RJUWLWXGRVNQSI-SSDVNMTOSA-N 411.491 1.860 30 10 HDEE COc1cccc(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)c1O 59016848 MBZXHWGWUPHNMY-UFWORHAWSA-N 402.436 1.966 30 10 HDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 170498241 VZMBANCPZMXOOB-ZDUSSCGKSA-N 416.397 1.859 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCN(CCO)C3)C3CC3)nc2)OC1(C)C 204876214 GMBADBCOVYACTF-MRXNPFEDSA-N 402.348 1.449 30 10 HDEE COc1ccc([N+](=O)[O-])cc1C=NN(CCO)C1=NS(=O)(=O)c2ccccc21 254595261 JGXUDSFXBIRRBW-UHFFFAOYSA-N 404.404 1.381 30 10 HDEE N/C(=N/Cc1ccc(S(N)(=O)=O)cc1)N1CCN(c2ccc(Cl)cc2)CC1 303697534 FTOBCSTZJYEWFO-UHFFFAOYSA-N 407.927 1.624 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@H](C#N)C1 432928360 REOLVEKBGDEWAV-WCQYABFASA-N 401.282 1.610 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1 434447597 VTMWPMOPCPXHBN-UHFFFAOYSA-N 409.837 2.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 437926857 BPLRITGSOSCEPS-ANULTFPQSA-N 412.534 1.866 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccc4c(c3)OCCO4)CC2)c1C#N 471682542 JOHRQJFLDQXFFP-DLBZAZTESA-N 407.474 1.824 30 10 HDEE Cn1cc([C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(F)(F)F)cn1 487764381 UTCSMZWTNKRJNT-CQSZACIVSA-N 415.397 1.645 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3CCNS(C)(=O)=O)cc2C1=O 488320678 FUKBJAQQUJWNRM-OAHLLOKOSA-N 419.503 1.403 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489179924 QBWYPYJSMMPURB-BMGDILEWSA-N 414.531 1.723 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(NC(=O)NCC)ccc2C)CC1 490331949 LCXAGSZSUWKSFP-UHFFFAOYSA-N 402.499 1.588 30 10 HDEE CC(C)(C#N)CC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 493245844 FWUSBHYMWITUGV-UHFFFAOYSA-N 407.492 1.621 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(C)(C#N)CC1 506036066 LNWWPNBOLKTMRI-INIZCTEOSA-N 420.535 1.660 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3OC)n2CC=C)CC1 508845659 OVSFFHHSRHSHFS-UHFFFAOYSA-N 410.522 1.488 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 508874766 SFWUVDGDPAURQP-MRXNPFEDSA-N 421.505 1.966 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 509002881 UOWDPTGQPQKUFE-GOSISDBHSA-N 412.538 1.975 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 509204373 DQBBZNQLKYMQIV-FUEDEBDSSA-N 402.879 1.819 30 10 HDEE CCC(=O)N[C@H](CCSC)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 509723736 GLJDZKAYAANZMD-SJORKVTESA-N 402.520 1.818 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1cc(F)c(C#N)c(F)c1 519656283 WRTKHCNYIQRJFF-JTQLQIEISA-N 411.434 1.170 30 10 HDEE C=CCN(CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 533065796 CZZPDXURZLGXNX-LJQANCHMSA-N 416.547 1.780 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1cccnc1 533450911 DGYBWQUSUQAELD-SFHVURJKSA-N 402.476 1.451 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc(Cl)cc(C(N)=O)c3)CC2)n1 544347348 CWHLAUXZVYYYJN-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)CC2)n1 546214631 KSDWPNXNHYVKKR-LJQANCHMSA-N 419.489 1.371 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 546918463 OHHLHPRHTAYAED-HXUWFJFHSA-N 418.545 1.981 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 555184021 KERZSRIBGMGSBW-GOSISDBHSA-N 417.535 1.838 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cc(C#N)cs2)CC3)CC1 555517202 PJKQTWXYHWCYRC-CQSZACIVSA-N 412.519 1.196 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3C[C@@H](OC)C3)nnc12 561063337 WTZGKYHCUURMHT-OKILXGFUSA-N 413.503 1.958 30 10 HDEE COCC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 569536111 AMDWQIKNJDFHKN-QGZVFWFLSA-N 409.508 1.127 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)N2CCN(c3ncccc3C#N)CC2)n1 602281224 UPYQXUDMPSYJJI-UHFFFAOYSA-N 400.464 1.869 30 10 HDEE CS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1Cl 611360641 SPDFWMOONLKHAK-UHFFFAOYSA-N 424.841 1.977 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669802653 PJOZRHOYWMXVAZ-INIZCTEOSA-N 417.514 1.622 30 10 HDEE C#CCN(C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729332898 BSAADOFZSWMVGF-IBGZPJMESA-N 402.516 1.756 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@H]2CCOC2)C1=O 731560638 WLZBRMICAQXYMB-BBRMVZONSA-N 409.483 1.946 30 10 HDEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665199 VMNQPJATKBZSBJ-PKOBYXMFSA-N 416.547 1.502 30 10 HDEE N#C[C@@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)N1CCS(=O)(=O)CC1 732909416 BHXOSPRFQIKTOF-AWEZNQCLSA-N 406.851 1.105 30 10 HDEE CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746189258 MNBVMSOWUUVENL-YWMAMYRUSA-N 418.475 1.056 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc1C#N 747496068 HARJMBVZRKRQQT-UHFFFAOYSA-N 401.444 1.534 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 750778745 SCIWHJQOWRBKGH-QMWCZEAPSA-N 406.446 1.241 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1 752522105 TYNGLBMVCPTVMV-LTGZKZEYSA-N 405.484 1.303 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 768004287 FAIROFYSUFIWMN-IAFNSTAXSA-N 422.482 1.045 30 10 HDEE Cc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771545878 UZQXUBMQZUQBIL-OAHLLOKOSA-N 413.507 1.361 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 774250427 MBSVKOAGKHIYRQ-RBUKOAKNSA-N 417.531 1.052 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 780907146 HGLKRPCWZRQWQG-LJQANCHMSA-N 402.472 1.923 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1OC 780916939 CBWDDLYXFFCVCT-IBGZPJMESA-N 409.442 1.593 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 780987778 YUILPGQHZIBOFZ-VQIMIIECSA-N 405.410 1.115 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)NC1(C#N)CCC1 784190861 CRGZMWTXPNJKBN-UHFFFAOYSA-N 414.365 1.875 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(N3CCCS3(=O)=O)c2)n1 788818330 KGTKEFVXZROMMK-UHFFFAOYSA-N 416.503 1.345 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)n1 789021034 IQIWKIULOITFRH-FQEVSTJZSA-N 403.527 1.318 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1nc2c(s1)CCCCCC2 789515366 BXCAHYHBNIBBCW-FOCLMDBBSA-N 417.491 1.383 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(-c3ccccc3)c(C)cc2=O)n1 790104887 LGKSVKOQJODQBB-UHFFFAOYSA-N 405.458 1.659 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(F)cc2OCC#N)CC1 797386467 QEBACLNVTUPVIX-UHFFFAOYSA-N 421.425 1.485 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 802267586 BUDJGVSUFOOUAU-MRCUWXFGSA-N 406.446 1.675 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 803645917 FTAQENKXVOFJPU-GJZGRUSLSA-N 420.535 1.411 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 805766824 CMFHCJKMXKVYLP-GJZGRUSLSA-N 405.442 1.743 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1 810561351 IWRJUEVEZIBBGW-HNNXBMFYSA-N 411.455 1.709 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)n1 856586260 FGKOSEYQXGUEEK-QGZVFWFLSA-N 410.883 1.915 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 914718980 URQAGRKXHVACJD-LJQANCHMSA-N 412.534 1.411 30 10 HDEE C#CCN(C(=O)CSc1nncn1-c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 918756671 WKFXQONTHMICAM-HNNXBMFYSA-N 424.935 1.662 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)CC2=O)cc1Cl 1129497887 DDMWWTNMYSXCPQ-CKEIUWERSA-N 400.866 1.834 30 10 HDEE C#C[C@H](NC(=O)CN1CCC[C@H](C(=O)OC)C1=O)c1ccc(Br)cc1 1129610056 DFHYKRIPTZXPKQ-GJZGRUSLSA-N 407.264 1.651 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1133157446 MJHXSTRUUCHJTR-TZMCWYRMSA-N 400.522 1.602 30 10 HDEE CC(C)(C)C(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134645664 RHRCOWJCVHHDSZ-OXJNMPFZSA-N 403.504 1.359 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1136041259 VBRIXKZCEGDZJL-PKOBYXMFSA-N 420.391 1.413 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)s1 1150252725 XQFMJIUKHFFPBR-SUMWQHHRSA-N 416.590 1.926 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)s1 1155706903 LYEDBSRGPDQSEB-SUNYJGFJSA-N 414.549 1.598 30 10 HDEE Nc1cc(I)ccc1C(=O)NCc1ccc(C(=O)NO)cc1 1155853254 OLYKRVIGVUYRBC-UHFFFAOYSA-N 411.199 1.922 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N(C)Cc3cc(C#N)cs3)c(CCO)c2=O)n1 1157477080 GSDZCGKZJOTCIS-UHFFFAOYSA-N 412.475 1.313 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1nccc(C#N)c1[N+](=O)[O-] 1163606184 VOJHYEUJLMEZCS-UHFFFAOYSA-N 408.418 1.526 30 10 HDEE C#CCN1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1170249204 PCHUITIKGAMOHF-HXUWFJFHSA-N 414.550 1.789 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1193172310 UBSKBICRKALHTI-VIFPVBQESA-N 407.261 1.394 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]12 1196198548 NQQVXAKWEKFCIG-FTOGJNOLSA-N 409.533 1.179 30 10 HDEE C#CCC1(NCC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCC1 1198034138 RZJVBUVRUAUNBR-UHFFFAOYSA-N 409.490 1.468 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2OC)CC1 1203360419 NUWUBOMGOVIIMW-UHFFFAOYSA-N 421.306 1.619 30 10 HDEE C#CCN(C(=O)Nc1nnc(-c2ccccc2OC)s1)[C@H]1CCS(=O)(=O)C1 1205462424 KSWUPBVULWNLQR-LBPRGKRZSA-N 406.489 1.868 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2)c1=O 1216255051 HRHKNESINGKJMN-QGZVFWFLSA-N 405.418 1.523 30 10 HDEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCC[C@@H](OC)C1 1277969204 BSKDBCPUAWAVJU-IXIUHKBRSA-N 413.474 1.774 30 10 HDEE C#CCOCCC(=O)N1CCC([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1283473516 HRSUJUGXTQYSGQ-OWCLAAJJSA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1286304079 UNJWUBAQIJJPLR-MRXNPFEDSA-N 418.505 1.796 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286324954 RKNXNBZBYJNIRV-ZWKOTPCHSA-N 404.536 1.950 30 10 HDEE C#CCCCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286333834 BZWMNZKKXUHOBD-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1286360804 JDLNGJGTZPGDMV-VIFPVBQESA-N 419.404 1.562 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1286369737 VTQSRTTZEKBJSE-UHFFFAOYSA-N 417.477 1.482 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286438051 UZVUJRSNNORUJS-JQVVWYNYSA-N 419.570 1.889 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286610176 ZEVUNDIXXZNHOS-IBGZPJMESA-N 414.510 1.198 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1286689825 CUVMDVMOVYBPMR-UHFFFAOYSA-N 403.531 1.767 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1286706558 PZPULQJOZUUHNG-YJBOKZPZSA-N 410.544 1.611 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1286727726 YGNXEUHZFXALCU-INIZCTEOSA-N 421.592 1.922 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1286965220 ICIZMZTXEBQRJC-CVEARBPZSA-N 407.482 1.732 30 10 HDEE COC(=O)c1oc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C 1287587990 LGWDCNPHSZQMHM-UHFFFAOYSA-N 405.432 1.497 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1288976679 CDCJVYKEUXXWCN-DNVCBOLYSA-N 402.499 1.194 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@@H]1CCS(=O)(=O)C1 1291929770 UNKURADSNHEZOH-MRVPVSSYSA-N 424.114 1.802 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H](CN3CCOCC3)C2)CC1 1294091383 POMAWLPVONXWEN-IBGZPJMESA-N 405.539 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1300272213 LUOVPJGSYTXMJE-LSDHHAIUSA-N 405.524 1.793 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1300382614 WZYLIOMMVYKJJL-IRXDYDNUSA-N 405.499 1.694 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300665977 QSKDDPVITATLPS-LQWHRVPQSA-N 404.511 1.596 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C 1300733575 LDUDILHGSMTODG-ZDUSSCGKSA-N 411.553 1.793 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3occc3[C@H]2C(=O)OCC)c1 1300829318 VKTNZVQQERCGTP-SFHVURJKSA-N 416.455 1.494 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1300952351 SLMJDKDDLYASLQ-KGLIPLIRSA-N 409.537 1.791 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1301271642 YUTQBSWNAAWXIA-WIYYLYMNSA-N 406.575 1.578 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1301391913 ZPJXIQXLEPFYGW-MRXNPFEDSA-N 402.524 1.700 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)c1nccs1 1301474479 AOGSYDSIESMMCO-CQSZACIVSA-N 417.539 1.513 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC1 1301478534 MHXITQXWECHQER-UHFFFAOYSA-N 402.886 1.764 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CCc2cccs2)CC1 1301498463 OLMWVAIQFIDELA-UHFFFAOYSA-N 400.552 1.884 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1302586048 YTBQXGVMKLEMPG-JLSDUUJJSA-N 412.465 1.910 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCNc2ccccn2)CCO1 1303003344 GLLLQEFJXOCKRS-SFHVURJKSA-N 404.478 1.890 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1303432692 SIENBJISGBVPDW-OXQOHEQNSA-N 406.531 1.972 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1303436551 GWBPREFOUIWWAX-NRFANRHFSA-N 412.494 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1304271944 PKUUTKPJSIXAOR-MEAYZAIMSA-N 423.535 1.586 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1304902496 CMCJROWZXGAJIY-OAHLLOKOSA-N 421.505 1.529 30 10 HDEE C[C@H](C#N)CN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CC1 1307644308 QCUHQJWFQZKITI-KDVQLTRESA-N 413.503 1.858 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)OC)C2)cc1 1310130404 BLDHKVFLMINAOU-WTANOLMUSA-N 407.492 1.956 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)no1 1313189595 ARSDJIPVWJQECU-SFHVURJKSA-N 408.462 1.288 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1313271157 JDHZDFFPJVUYIR-UHFFFAOYSA-N 406.486 1.606 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)ccc1OC 1353364130 KCFMFCDTJSDRFF-HOTGVXAUSA-N 417.462 1.404 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358962506 QUAHBWKXXHEZQI-AEFFLSMTSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1358989938 UXTZYXDHIIBKKI-UHFFFAOYSA-N 415.519 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N(C)C2CC2)CC1 1359045280 BPJJIKYYBRVOGR-QGZVFWFLSA-N 400.571 1.925 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359148018 AYYMUXCZQKIZSE-UHFFFAOYSA-N 412.885 1.846 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)CC1 1359179561 YHFAJTJQCMWCGJ-FUHWJXTLSA-N 423.583 1.303 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1359252549 WAMDMICOSFSJEI-HNNXBMFYSA-N 415.523 1.777 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1359292812 YHLQZBBCJTWZTQ-JKSUJKDBSA-N 406.531 1.071 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359303980 HIOVJHFLDBNBIQ-OKILXGFUSA-N 414.535 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359331241 RWFBQQPAZJFUNR-NVXWUHKLSA-N 418.523 1.341 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441006104 CSASJHUFNPFCTM-UHFFFAOYSA-N 410.455 1.585 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nnc(N)s2)cc1 1441898205 WMLROECYZIUHNI-HYARGMPZSA-N 422.536 1.895 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)CC1 1445685393 GRRDZQZPTSZARD-RTBURBONSA-N 423.542 1.943 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)s1 1446051206 QRHHBIURSHXPHE-HUUCEWRRSA-N 400.522 1.161 30 10 HDEE Cn1c(C(=O)NCC(=O)NCC#N)ccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 1449137510 SPDMRAKVWIQKPF-HNNXBMFYSA-N 403.483 1.857 30 10 HDEE CN(C)CCN(CCN(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1457657228 GESATXYYFXFPLH-WUZYXKQASA-N 421.586 1.725 30 10 HDEE C=CCn1cc(CNC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)nn1 1469216547 XCGNNOHXZYLKLV-AWEZNQCLSA-N 401.471 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CC[C@@](O)(CC#N)C3)nn2)CC1 1469406387 TZWRGDVSNFACQA-QRWLVFNGSA-N 418.498 1.731 30 10 HDEE Cn1nnc2c1CC[C@@H](NC(=O)C1CN(c3ccc(Br)cc3C#N)C1)C2 1469520232 DJAHMKUSRBYZCH-CQSZACIVSA-N 415.295 1.559 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1470737436 CIJBPXSVIPIUSR-CQSZACIVSA-N 418.471 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCN(CCC#N)CC2)CC1 1471237399 TUSFQPVMZKARIQ-UHFFFAOYSA-N 417.514 1.522 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 1471983956 LYIOYGBFOSULRL-HNNXBMFYSA-N 424.486 1.095 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 1476067985 BLGPODBKZZRZPR-UHFFFAOYSA-N 423.517 1.719 30 10 HDEE C#CCN(C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)C 1477969014 DRCLDMMHPUZHDU-UHFFFAOYSA-N 423.535 1.910 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)(F)C(F)F 1503670097 NJBGUBABJXHGOJ-GFCCVEGCSA-N 416.379 1.929 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1504999688 OIIFHAVGINBHPG-FUHWJXTLSA-N 419.526 1.938 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1507516925 NQGBWPXGGFQIGG-HUUCEWRRSA-N 405.524 1.541 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507630400 YGGCZKYBWPHLDP-CABCVRRESA-N 407.565 1.662 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCCO2 1507659152 LVAYCFKZYYZZGG-RXVVDRJESA-N 422.485 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCc2ccccc21 1507713217 ZWQRNNCIQAGMFW-XMSQKQJNSA-N 409.490 1.149 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(C(N)=O)c2)CC1 1507724014 CZGQETBAXPBLAU-UHFFFAOYSA-N 415.501 1.166 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1507739123 MZIWEIGNBXMZAV-LAUBAEHRSA-N 403.527 1.155 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1507751388 NLTVURPYBZPOIL-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1507844989 UXVJXBCOEDYFGS-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC=CCC2)CC1 1507896027 GOIWMVCJCKPANA-MRXNPFEDSA-N 408.572 1.553 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1517759780 BIVNTJYVAJTSOI-CQSZACIVSA-N 423.477 1.372 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C1 1524954866 FTKPSSJJGHPOKM-GOSISDBHSA-N 407.536 1.735 30 10 HDEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1526409951 UNKDFLRTOGRXOK-UHFFFAOYSA-N 401.488 1.990 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1528113471 VFAKZXPLHLEOAR-UHFFFAOYSA-N 421.461 1.637 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1534274690 GZHWDCJPHFGROY-FQEVSTJZSA-N 405.520 1.792 30 10 HDEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1536563698 PCKRHJHHTCLMQX-GOSISDBHSA-N 413.478 1.625 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cc(F)ccc1N(C)C 1538166145 ATMWEOQCXSQQPZ-GFCCVEGCSA-N 404.467 1.808 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539065906 MIEYUVBFBBTXJA-JKSUJKDBSA-N 407.540 1.436 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1540107016 GWYNWARWGJRZBL-UDJKBAMHSA-N 412.494 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1540865623 MLZNSNJNIKUNDG-UHFFFAOYSA-N 421.505 1.471 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1540872412 OYJQPXRBZSXDQE-UHFFFAOYSA-N 421.549 1.973 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)C1 1540891174 QKJHIPVZNJHKGV-DLBZAZTESA-N 418.542 1.121 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1544128603 YLKAGQBWVJBQRI-GOSISDBHSA-N 414.506 1.741 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3cc(C#N)c4ccccc4n3)CC2=O)cn1 1544218375 AEMPFENSMUBAPB-HNNXBMFYSA-N 404.430 1.941 30 10 HDEE CN(C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1552646544 FFKJJDCRWUXDHL-IAGOWNOFSA-N 402.499 1.649 30 10 HDEE COC[C@@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1555281233 SVLOXTOBWIAGBO-AWEZNQCLSA-N 406.487 1.994 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)C1 1555809322 RZYWUSCDHDOEJQ-IAGOWNOFSA-N 422.555 1.541 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2n[nH]c(C)c2I)CC1 1556585789 FDEAWGJNTQDERD-UHFFFAOYSA-N 402.192 1.242 30 10 HDEE COC(=O)c1cccc2c1CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2 1559888034 DGLGYHAYVPOEAE-UHFFFAOYSA-N 423.473 1.348 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1OC 1565410530 XVTZPIGTDFSCCH-UHFFFAOYSA-N 415.475 1.700 30 10 HDEE C#CCCOc1ccc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1569842015 GOHQYZLDBGQLBO-UHFFFAOYSA-N 402.472 1.887 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 1583541484 HMNMKIRNAHQMKU-CQSZACIVSA-N 421.519 1.996 30 10 HDEE N#C[C@]12CN(C(=O)CCc3cc(Br)ccc3F)C[C@H]1CS(=O)(=O)C2 1585660575 QDXYSJRFPCCQKK-BLLLJJGKSA-N 415.284 1.918 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCN4CCCC4)CC3)n[nH]2)c1C 1587404978 LIOTWGFXKWVZLJ-UHFFFAOYSA-N 411.554 1.930 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1587808440 RKSMPPAELTUWGW-IAGOWNOFSA-N 412.556 1.819 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1587852196 SCKNESCMOVIXED-SFHVURJKSA-N 412.538 1.872 30 10 HDEE C#CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893591 FZQUYWFEMPJOBM-XLIONFOSSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCS(C)(=O)=O 1587905032 SVYYRPAKNVBVPJ-UHFFFAOYSA-N 423.926 1.366 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045509 MBNWZUYRUIGWQI-WMZOPIPTSA-N 419.551 1.581 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588050232 PRSXUASKQPJDGQ-AWEZNQCLSA-N 406.537 1.185 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588069105 HLOBQPHCEKCFDD-KRWDZBQOSA-N 421.567 1.463 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCC(=O)N1CCOCC1 1588149096 DXYVGULNIOCLML-UHFFFAOYSA-N 405.502 1.499 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1588262920 MLPHRQGRNQPQPJ-SFHVURJKSA-N 402.543 1.475 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1588265912 JXWQDNSEZSPYNE-OAHLLOKOSA-N 417.535 1.525 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC 1588550097 HWYUKSSIKFVCFX-KRWDZBQOSA-N 420.510 1.996 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCOCCN(CC)CC 1589133896 BGSWGAWBLHOEHM-JOCHJYFZSA-N 416.570 1.865 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589515104 LBGFOZUEXWCKBP-QYZOEREBSA-N 411.506 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1CSC 1595798449 PNBRTXVGVVITBZ-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCn2ccc(O)nc2=O)CC1 1603548670 MBWAYYOKCGZVHL-UHFFFAOYSA-N 404.467 1.106 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)C(C)C)CCOC1 1610334862 FPZNVUWIWPHNIF-JXFKEZNVSA-N 406.531 1.829 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CCS(=O)(=O)c1cccc(C#N)c1 1620668463 YDYPQQLUJXWAFO-IBGZPJMESA-N 400.456 1.637 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1624251887 MGNDPOXAHVLGAI-KGLIPLIRSA-N 416.902 1.757 30 10 HDEE Cn1ccnc1[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1624587495 DYMVLYSTLWCIJX-NVXWUHKLSA-N 406.446 1.513 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H](CC#N)c2ccccc2)cc1 1624838574 USIKVKDQPBGENN-LJQANCHMSA-N 401.488 1.925 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OC(C)(C)C 1626290597 FXRRHJUDKCSDRT-OAHLLOKOSA-N 423.535 1.984 30 10 HDEE C=CCC[C@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1627752605 RRJCWVYLOZJTHE-XOBRGWDASA-N 414.474 1.976 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1628328494 YJSDSVZIZGOOBB-OAHLLOKOSA-N 408.329 1.058 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2CO)s1 1633091614 SJBLNMCKCKDIOI-QGZVFWFLSA-N 406.529 1.873 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1634169805 KDSLNBIBFAMKKG-UHFFFAOYSA-N 404.474 1.630 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)CCS2(=O)=O 1636976393 XHBILMNSSSNSCY-LXYHLAACSA-N 423.462 1.423 30 10 HDEE CN1C[C@@H](CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 1638474280 IKIOYZSYVMFFJX-AWEZNQCLSA-N 412.450 1.506 30 10 HDEE C=CCOCCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1641551205 FOBXEELUHOWGQO-ZBFHGGJFSA-N 402.900 1.173 30 10 HDEE C[C@@H](CC(=O)N1CC(=O)Nc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1643724914 LKDGEZRBPLZDFY-ZDUSSCGKSA-N 412.471 1.485 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 1645040552 RJMXORZYKLRQKO-OAQYLSRUSA-N 412.490 1.611 30 10 HDEE CN1C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1648178310 XWLPETVGSULSAB-HKUYNNGSSA-N 417.469 1.941 30 10 HDEE C#CCN1CCN(C(=O)Cn2cc(C#N)c(=O)c3cc(Br)ccc32)CC1 1652646203 BXROIBOBHJFZTK-UHFFFAOYSA-N 413.275 1.413 30 10 HDEE C=CCOc1c(Br)cc(CNC[C@@H](O)CS(C)(=O)=O)cc1OC 1658087746 YRMQARFQOPJPHS-GFCCVEGCSA-N 408.314 1.518 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC 1662631681 NQKFFSODTDKMPO-BEWKBBBFSA-N 411.476 1.759 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1=O 1663628342 YEIBHJXMJVINEZ-CQSZACIVSA-N 420.409 1.899 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 1664005984 MXEKIHFUYAZAPJ-IRXDYDNUSA-N 410.492 1.143 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(CO)CCc3ccccc32)c1 1670105238 HMOSDJBACYWNBO-NRFANRHFSA-N 400.500 1.757 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccnc(-n4cncn4)c3)C2=O)cc1 1672352588 JBWHDUNFQCDCSE-SFHVURJKSA-N 416.445 1.134 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 1672592879 HFZWFOPIAWWPIF-INIZCTEOSA-N 415.475 1.732 30 10 HDEE C=C(Br)CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1677680627 XNYNPZWMUMIVMY-IQLKVPPVSA-N 409.302 1.093 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)CC1 1678394719 FQOQUKRJIKKAAN-UHFFFAOYSA-N 406.508 1.239 30 10 HDEE C=CCOCCNC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1681795034 ZMTHQSOLRPZGPY-AWEZNQCLSA-N 424.464 1.972 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)nn1 1682296251 NYYICVVLYJMBKN-OAQYLSRUSA-N 423.477 1.688 30 10 HDEE COCc1n[nH]c(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1682513240 QEYBTPAFBPVATO-UHFFFAOYSA-N 406.450 1.403 30 10 HDEE C#CCN(C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 1684924196 PTGFJRULYMELLE-WMZOPIPTSA-N 418.515 1.891 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1689961449 XXSZEWJXGOSSRW-UHFFFAOYSA-N 416.489 1.916 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1690007358 BDDZDGUPVJSION-UHFFFAOYSA-N 413.547 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1C[C@H]1C 1690101075 NIMWMBXEXPRGMP-HZPDHXFCSA-N 416.551 1.980 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1690190168 NAEIOSYNESWSFC-AUUYWEPGSA-N 418.523 1.332 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690299254 LBUIYRHEUVOYBF-MSOLQXFVSA-N 402.543 1.780 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690419061 GNMCWXHHUPFDCX-NRFANRHFSA-N 400.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(C)o1 1690658919 DMPYCTBZTSECRC-HNNXBMFYSA-N 400.483 1.961 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690667240 WHOZXSCVRXESLI-GOSISDBHSA-N 407.478 1.224 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cnccn2)CC1 1690725459 QQNIHYVNSZXFBZ-UHFFFAOYSA-N 419.555 1.194 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1690996068 UAHJYMUOPDTEKT-OXQOHEQNSA-N 406.531 1.829 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1692847986 MDHSXLITRDIVLW-QGZVFWFLSA-N 416.526 1.551 30 10 HDEE CC[C@H](C)N(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1694206032 UPMWZSAHHGWXOA-WFXMLNOXSA-N 420.558 1.778 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1697778795 OORDUTRBFPRPMB-MRXNPFEDSA-N 410.457 1.851 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1698079664 RUJKBBXBFXWBPI-LZJOCLMNSA-N 416.526 1.755 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705530037 NBEKHXDRDQJJIS-INIZCTEOSA-N 419.493 1.391 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(C(N)=O)CCOCC1 1705544300 LQYAQTLUJNEULW-UHFFFAOYSA-N 419.489 1.687 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(C)CN(C)C1=O 1705584885 BWEYQOBPBHANJY-QHCPKHFHSA-N 400.486 1.832 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnnn1C 1705593559 SPCXOOAIGWHNMO-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCN(C)C1 1705600578 DYNSSHADJCCRME-QHCPKHFHSA-N 407.518 1.429 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc21 1705620864 JJRXHBZWXAPEOT-QGZVFWFLSA-N 409.490 1.776 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC)c2)CC1 1705642431 UAPWOVYUMXPAPD-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705647103 AGTOJELNDMUXDX-OPAMFIHVSA-N 423.521 1.252 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1705698983 AZBYYPOFGKAIHX-VKJFTORMSA-N 418.542 1.561 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCO)CC1 1705780070 DJOXDHUMWIZIQM-UHFFFAOYSA-N 403.483 1.807 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705903133 QXKKOSVRUWIKJN-DLBZAZTESA-N 403.527 1.606 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(O)cc1 1705907668 SZUNIJIGTNUNPE-SFHVURJKSA-N 424.505 1.750 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(F)F)C1 1705931932 GBDDXIOBZAKIMQ-CYBMUJFWSA-N 414.482 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H]2C[C@H]1CO2 1705937532 WXGQQMBCMBEORU-IRXDYDNUSA-N 403.508 1.232 30 10 HDEE CC1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706947843 FWCBNWYQXCUANY-HFUDNHEJSA-N 400.483 1.687 30 10 HDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)n1 1707943689 ICTFTSUPSCPKCQ-AWEZNQCLSA-N 420.477 1.808 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1709010989 FEHXNCUGGATCSJ-CQSZACIVSA-N 414.514 1.605 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1712098267 HKDZBHGZXPGWSL-JJRVBVJISA-N 416.482 1.653 30 10 HDEE C=CCN(CC=C)C(=O)CN(C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1713133205 PIHWSUDTHWABLG-YENHRIDLSA-N 401.551 1.781 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(C)c1C 1722386634 FJRQEEINSILLBV-UHFFFAOYSA-N 407.503 1.433 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccncc2)CC1 1722432697 YXTFEDMDRYAAFJ-UHFFFAOYSA-N 416.489 1.318 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCC[C@@H]2C)CC1 1722446129 OALAVKQZOKXANO-KRWDZBQOSA-N 422.537 1.185 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722523545 YQMSEBQTOMIZQI-IAGOWNOFSA-N 411.572 1.856 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722627856 OWMRQSDTMKBPLP-IAGOWNOFSA-N 418.542 1.563 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722647049 PTFYHORKMZLGIL-NRFANRHFSA-N 419.526 1.367 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)c(F)c1 1722697058 FCQILKMERRMYTN-UHFFFAOYSA-N 401.421 1.895 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722700771 TYFDQMPTZMCJGK-MRXNPFEDSA-N 412.469 1.121 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)CC)C1 1722710770 OGRRVGZWXIXBRY-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1722728124 UHLABLSEXJDCJK-IBGZPJMESA-N 420.539 1.242 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccncc1Cl 1730876756 PYGJALOJJCWOCA-DZGCQCFKSA-N 406.874 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccsc1 1740678169 DGJGLFSJQAZZCQ-LJQANCHMSA-N 405.524 1.472 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccco2)N2CCCC2)CC1 1740700617 XFSMKGKTXVDJHS-LJQANCHMSA-N 412.538 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCOCC2)CC1 1740705812 MPKOBZMDLOUKJT-LJQANCHMSA-N 415.538 1.565 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740795040 MOQFHHBJOWUBPZ-VQIMIIECSA-N 410.540 1.390 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740876289 QEKWADUJWNLPHU-GJZGRUSLSA-N 422.511 1.416 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1741657801 GFJDAENUSGBMQY-KUHUBIRLSA-N 400.462 1.632 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1741983180 HOCBXVYSIVSKTI-KBXCAEBGSA-N 402.890 1.909 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1742282795 BMHGAZGLMWCLKB-MOPGFXCFSA-N 413.478 1.700 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCn1cnnn1 1744037935 MFHXNWVXAOCTOA-UHFFFAOYSA-N 414.518 1.403 30 10 HDEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)o1 1744447271 BFZGXYRRNJNNJZ-AAEUAGOBSA-N 409.516 1.534 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1748724345 AOEFZQUSHNQARQ-IBGZPJMESA-N 414.554 1.363 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1748730282 IDCVLZRGHQOTLD-LJQANCHMSA-N 416.570 1.911 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1748804672 JROPAOVZNLQEER-IRXDYDNUSA-N 423.583 1.581 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1748852390 DHCQVHUHWRPDED-IBGZPJMESA-N 417.517 1.310 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)Cc2ccccc2)CC1 1748972492 KMYMMHCSAWBPRF-UHFFFAOYSA-N 415.563 1.772 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749096060 FUBZOAFACVLOLZ-AWEZNQCLSA-N 420.315 1.948 30 10 HDEE CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC[C@@H]1C 1749196720 XEPAAYJXRVSNRO-HEHGZKQESA-N 422.511 1.262 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1749547438 MODTWLZHLJJGDQ-ATZDWAIDSA-N 413.478 1.472 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749671130 YSPNENYHVCAUNN-MPGHIAIKSA-N 413.478 1.706 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1749852894 WFWYORQKNOOFAV-OAQYLSRUSA-N 410.478 1.291 30 10 HDEE COCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1750104132 GEYZXQJRLICFEP-KRWDZBQOSA-N 408.462 1.885 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(C)c2C)c1 1751652157 CQOFKSNTDBZBMT-IBGZPJMESA-N 407.478 1.985 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760161436 GYYMHIZFBVJQNM-LLGFUMIMSA-N 417.510 1.667 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1760347704 QINZJKNEQRPHAK-KRWDZBQOSA-N 403.527 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](COCC)C1 1760521521 VVGNWPPXURUUAO-AWEZNQCLSA-N 416.482 1.171 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1761361116 AVDKURVVKXAZGK-WBVHZDCISA-N 417.539 1.284 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1764566513 FAWLVQAFEHZEMR-FQEVSTJZSA-N 414.441 1.684 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1767807829 GPZXAGSHRJLBCI-GOSISDBHSA-N 417.558 1.497 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1nccnc1C 1767864633 VEEKFXZQCQOKCE-UHFFFAOYSA-N 420.477 1.691 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCOCC2)cn1 1769003508 NLWZPAAUZUCUDQ-IBGZPJMESA-N 402.478 1.233 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCC[C@H]1C 1770201651 BAKKLOBXTKRTQP-NHAYFPRASA-N 406.506 1.928 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCC=CO2)cc1 1770738241 HEOUKOCLAPGPRE-WMZOPIPTSA-N 408.462 1.733 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1772844826 AMMDDCYXKMHQLO-NQIIRXRSSA-N 419.526 1.864 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1850473286 RZQCNSGUKWAVRT-QGZVFWFLSA-N 407.536 1.426 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)NCc1cc(C#N)c(F)cc1F 1850668296 VYRFENWKGWWJNV-UHFFFAOYSA-N 403.389 1.539 30 10 HDEE C=CCN(C(=O)c1cc(I)cnc1OC)[C@@H]1CCN(C)C1=O 1852271068 PEFLPKUJWFFYCK-GFCCVEGCSA-N 415.231 1.554 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N(C1=CC(=O)CC(C)(C)C1)c1ccccc1 1853277865 PRFPGUKPUVHFSP-SFHVURJKSA-N 404.488 1.896 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1853385871 YZMJPUFHBQCRMM-UHFFFAOYSA-N 407.536 1.426 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCN(CC(F)(F)F)CC3)C2=O)cc1 1853755605 MCNJQZLKGVOFLY-QGZVFWFLSA-N 408.424 1.798 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1=O 1853828430 LYJPJLQIBHFONH-MOPGFXCFSA-N 411.502 1.886 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@H]4CN(C)C[C@H]43)ccc21 1854813662 JLLAZBRGPCIOLS-QFBILLFUSA-N 417.531 1.783 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1C#N 1855320588 IEDDXTOGHDEVLO-SFTDATJTSA-N 410.518 1.795 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)c3nccnc3N3CCOCC3)C2=O)CC1 1856547095 RYCGNPMTAPLDGB-KRWDZBQOSA-N 412.494 1.070 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cc(COC)cn2C)C1=O)[C@@H]1CCN(C)C1=O 1856734874 ABVWGTDQGRUBHM-DLBZAZTESA-N 402.495 1.021 30 10 HDEE CCOc1ncccc1C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112408 XRQTURCMVYVQMZ-QGZVFWFLSA-N 407.430 1.251 30 10 HDEE CSc1cccc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857148841 GXGPYDYTWOCKIS-SFHVURJKSA-N 422.514 1.632 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)CCc3ccc(F)cc3F)C(=O)C2)C1 1857218583 BHTNJPXDNAANOM-GOSISDBHSA-N 404.461 1.946 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)CCC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1857397967 VNCYGVAGIALPOH-CYBMUJFWSA-N 424.427 1.576 30 10 HDEE Cc1cc(CC(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)on1 1857463744 WUYYOUMPIPAXJJ-HNNXBMFYSA-N 409.446 1.321 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C#N)cc1 1867019039 FNUYSLTXNVKMEF-GOSISDBHSA-N 415.471 1.365 30 10 HDEE CCN1CCN(C(=O)[C@@H](CCSC)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929751 METBNNBHSWNZDE-OAHLLOKOSA-N 410.565 1.011 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CN(C)CCO 1870641129 OLZLTSLUUMFDQZ-UHFFFAOYSA-N 415.490 1.162 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3onc4c3CCCC4)CC2)CC1 1889300288 AOUGNTODAGDDSC-UHFFFAOYSA-N 414.550 1.816 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 1890284967 HFTODYFFRSYVQE-UHFFFAOYSA-N 402.458 1.791 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 1891811726 BVMDFLCIPBYXBJ-UHFFFAOYSA-N 420.516 1.332 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 2151774743 AMZOIAUVHWTODE-GFCCVEGCSA-N 401.416 1.344 30 10 HDEE O=S1(=O)NC(=NCCn2cc(I)cn2)c2ccccc21 2153474861 WGHFUYQEVMPKFG-UHFFFAOYSA-N 402.217 1.226 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)N2CCC[C@@H](C#N)C2)CC1 2174779200 GSBHUPQGDUMTNC-ZXIJQCDASA-N 420.557 1.622 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)CN(C(=O)OC(C)(C)C)C1 2174786419 JQRXDEDHIIXXDC-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1 2188810609 ZHSANVKNUPASBX-PWSUYJOCSA-N 415.493 1.751 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446163 FWAMRSUZELYNTF-CRAIPNDOSA-N 403.545 1.503 30 10 HDEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)N2CC(OCc3ccccc3)C2)n1 2241216750 JYSFUIONKDQKTC-UHFFFAOYSA-N 406.895 1.603 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384777 WEXLQJTVNJOQND-RYUDHWBXSA-N 406.292 1.494 30 10 HDEE C[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)Cc1ccccc1 2247838539 JIHZQIDYIFPYIT-INIZCTEOSA-N 412.343 1.970 30 10 HDEE Cn1cc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247917669 GRAMALMRBDGVBA-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCS(=O)(=O)C3)c2Cl)OC1(C)C 2267566081 WJCOWEMEBIAHQT-VIFPVBQESA-N 405.734 1.618 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267726942 FWVKKJNGDNDUGP-ZZDSUILFSA-N 408.376 1.181 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](N)[C@@H](CO)C3)c2Cl)OC1(C)C 2281936546 OHEIYEJEQYLRNB-PWSUYJOCSA-N 400.737 1.482 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282019426 LQJIXAFNUMZPMN-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CCc1nc(C(=O)N[C@@H](C)CC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031749 XCNXKMUCSXYDNV-LJZMDLFKSA-N 400.375 1.892 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCCCC34OCCO4)c(F)c2)OC1(C)C 2282036288 HDCMESKHSPQYCI-HNNXBMFYSA-N 406.263 1.935 30 10 HDEE C[C@@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282064416 ZNRRCMQFOJEJFB-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(OC(F)(F)F)C2)OC1(C)C 2282502897 RCKCJBBPNQTMDI-UHFFFAOYSA-N 413.248 1.957 30 10 HDEE CCc1nc(C(=O)N=[S@](C)(=O)C[C@@H](C)N)c(B2OC(C)(C)C(C)(C)O2)s1 2282524035 GVFWPFRLPSRXLX-AFNXNYLOSA-N 401.363 1.590 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839525 FLQAJENQPUSJHK-CHWSQXEVSA-N 401.359 1.747 30 10 HDEE CC[S@](C)(=O)=NS(=O)(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2282866671 NFQFOCCIXABXQX-VWLOTQADSA-N 403.331 1.801 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@H](C(=O)O)C2)OC1(C)C 2284397978 SDSNFSLPSKBVNQ-QWRGUYRKSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)O)s2)OC1(C)C 2284408699 YTSJIFYCKUOCNN-WDEREUQCSA-N 401.315 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC(F)(F)C[C@@H]1C#N 2286065928 NWOIONNNFRYACG-VXGBXAGGSA-N 407.439 1.170 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)N2CCC(C#N)CC2)C1 2361536393 CJGIQACCCMMXHU-OAHLLOKOSA-N 408.471 1.701 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)c1cc(I)nn1C 2365196756 PUGZKFVCESQQNS-JTQLQIEISA-N 409.293 1.502 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2365206870 JVKPJGIQCVDHOG-GJZGRUSLSA-N 404.573 1.703 30 10 HDEE CN[C@@H](C#Cc1cnn(CCOC)c1)c1ncc(I)s1 2366087161 HHQCPPNMRXCYJE-NSHDSACASA-N 402.261 1.903 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367790961 IHJIXYKYHIUPKE-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367793642 WMFHUJNERUINRH-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)CC1CC(S(C)(=O)=O)C1 2368849205 KFPKIFKVJKKBIX-UHFFFAOYSA-N 400.375 1.697 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(Cn3cncn3)cc2)CC1 96997436 UVUVDGYXWWFRQJ-UHFFFAOYSA-N 402.462 1.625 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cn1 460799040 XQAPFFBIAJMRBP-UHFFFAOYSA-N 415.456 1.270 30 10 HDEE Cc1ccc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)cc1S(=O)(=O)NCC#N 464380757 YSQWXSPWEDZZED-UHFFFAOYSA-N 406.508 1.268 30 10 HDEE CCO[C@@H]1C[C@H](O)C12CCN(CC#CCN1CCC3(CC1)[C@@H](O)C[C@H]3OCC)CC2 472607114 VXFVDWPNWXISAP-FNAHDJPLSA-N 420.594 1.494 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2C)cc1 472669300 CLTGSAWPRHUCHV-UHFFFAOYSA-N 418.505 1.689 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O 474193459 UYYSFKBDAUEMNB-AWEZNQCLSA-N 423.447 1.629 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 476183161 QRYAKYYIBQIJEU-UHFFFAOYSA-N 405.520 1.580 30 10 HDEE N#CC1(NC(=O)CCn2nnc3ccccc3c2=O)CCN(Cc2ccccc2)CC1 479211011 DWKGULZEMNCAAK-UHFFFAOYSA-N 416.485 1.856 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 482183061 PMDHPBLHMKYROI-CQSZACIVSA-N 418.494 1.742 30 10 HDEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C(=O)OC)C1 503871397 KZTAJPZMPBDJQF-QMTHXVAHSA-N 400.840 1.327 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 506654352 UMDOVMPTMHWWEV-HOTGVXAUSA-N 409.508 1.560 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCC3CC4)CC2)cc1 507862323 JPWFDZGRLVQLSO-UHFFFAOYSA-N 402.520 1.266 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(c2nccn(C)c2=O)CC1 508883459 AERNFWDBNIZYBQ-UHFFFAOYSA-N 409.469 1.614 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC=C)CC1 508954559 YBTJTOZJOUNSCS-LJQANCHMSA-N 424.505 1.401 30 10 HDEE C=CCOc1ccccc1CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 509387788 PFSSCWNJGMCONR-ROUUACIJSA-N 409.552 1.723 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 512721571 WOESQTDGGJVFDL-MRXNPFEDSA-N 414.531 1.423 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOc2cccc(F)c2C1 513077120 USGBEPQVPRBDRG-ZDUSSCGKSA-N 403.435 1.785 30 10 HDEE CCc1nn(CC(=O)N2CCN(C(=O)c3cccs3)CC2)c(=O)c(C#N)c1CC 520329263 GDLYREAEIGFUFN-UHFFFAOYSA-N 413.503 1.286 30 10 HDEE Cn1nnnc1SCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 523356884 HSHMCWZMYPDGAS-CYBMUJFWSA-N 403.493 1.104 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cc1 523652211 MOHWORVTUINXNX-SFHVURJKSA-N 424.522 1.970 30 10 HDEE C[C@H](c1nc(N)nc(=Nc2ccccc2)[nH]1)N1CCN(c2ncccc2C#N)CC1 532902179 YLXROHLJDQLQHH-OAHLLOKOSA-N 401.478 1.769 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1cccnc1 533450909 DGYBWQUSUQAELD-GOSISDBHSA-N 402.476 1.451 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cc1 543718826 ACAAGSCNNRDZCP-FQEVSTJZSA-N 413.499 1.973 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@@H]2CCCO2)cc1 549884157 HGXJUMXMSFJPDB-AVRDEDQJSA-N 422.489 1.624 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(C)(C)c1cc(F)cc(C#N)c1 579726272 QUAXRNKHLLDHFG-QBPKDAKJSA-N 402.422 1.927 30 10 HDEE C=CCCN(CCNC(C)=O)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586150471 FXGXAHOJCZVDBS-UHFFFAOYSA-N 409.508 1.525 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c(C#N)cn1CCOC 589335560 OTNDBNGHZLPXFN-ZDUSSCGKSA-N 400.439 1.585 30 10 HDEE C=C(C)COc1cccc(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 589741434 ZSIJMSTVTGVRAO-UHFFFAOYSA-N 424.523 1.368 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccncc3Cl)CC2)cc1 590421348 WUKIURXMXUKFMX-UHFFFAOYSA-N 404.879 1.682 30 10 HDEE N#Cc1cc(C#N)c(SCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)nc1N 603905188 ILYXGWYXPBMBLW-UHFFFAOYSA-N 420.498 1.920 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)ccc1F 609134061 RXJRXBKWTDCDCG-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE N#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 609456589 DULOIZSCWCFGKQ-KZNAEPCWSA-N 403.504 1.284 30 10 HDEE COc1ccc(NC(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 609640653 NMNAPPCPWPAIHD-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3cc(Br)ccc32)C1=O 623227795 XVMSBYKKGOQIGU-CYBMUJFWSA-N 406.236 1.529 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)CSc2ccc(C#N)cc2)C1 728679342 CTUSEPHZXUTKDD-KRWDZBQOSA-N 405.520 1.667 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 732440926 CQPJXVLCWVYEQC-ZBBYCGENSA-N 414.462 1.895 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)cc1C 735080988 OBESZSRCSMYWFX-ZDUSSCGKSA-N 420.350 1.877 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 741217891 IVEQQMOYUCJRTO-IRXDYDNUSA-N 423.435 1.972 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CCN1C1CC1 743909301 XCAUSKFEDGTYPO-SFHVURJKSA-N 418.457 1.471 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 744839678 KHBBHALVRWXHRH-YXJHDRRASA-N 401.463 1.617 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 751507268 NSWDASACWUGPMT-SJLPKXTDSA-N 420.487 1.709 30 10 HDEE N#Cc1c(N2CCN(c3ccc(Br)cn3)CC2)cccc1S(N)(=O)=O 754980590 RGZQGGHHENXHMI-UHFFFAOYSA-N 422.308 1.690 30 10 HDEE CC(C)N1C(=O)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1(C)C 758757514 GLJDYCHJMYHRFJ-LSDHHAIUSA-N 407.515 1.786 30 10 HDEE N#CC(C#N)=c1sc(=Cc2sccc2Br)c(=O)n1C[C@@H]1CCCO1 764977231 MRPGJERCRSQUEK-NSHDSACASA-N 422.329 1.939 30 10 HDEE CCN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769842286 MHOWESQMAJAKHQ-UHFFFAOYSA-N 415.471 1.428 30 10 HDEE COc1ccc([C@H](CN2CCCC2)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 779541705 GCCGLKSLVOOIMW-ZREAOVPFSA-N 412.490 1.865 30 10 HDEE C#Cc1ccc(C(=O)NC[C@@](C)(NC(=O)c2ccc(C#C)cn2)C(F)(F)F)nc1 791078181 PZRYVDWBXAXREO-LJQANCHMSA-N 400.360 1.920 30 10 HDEE CN1C(=C2C(=N)N(C[C@H]3CCCCN3S(C)(=O)=O)CC2=O)N(C)c2ccccc21 794715791 WGGIJFBTCMRTMA-CQSZACIVSA-N 417.535 1.460 30 10 HDEE CC#CCS(=O)(=O)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 810778343 UQGAGXHYHOCSER-HNNXBMFYSA-N 405.303 1.836 30 10 HDEE COc1ncccc1CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 810981609 UAZXXTQEZFNYBG-ZDUSSCGKSA-N 402.476 1.266 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CCC1 814252064 DATRXNRAMXUWSZ-UHFFFAOYSA-N 418.469 1.969 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)c3cccc(C#N)c3)c(=O)[nH]c21 916809615 IOVOCKMUEGFMBC-SREVYHEPSA-N 411.443 1.695 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C[C@@H]1CCS(=O)(=O)C1 926572179 CEWNTPLKFMKGNT-GJZGRUSLSA-N 408.476 1.698 30 10 HDEE CN(CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1132853463 VAELVKRQMCQGAI-INIZCTEOSA-N 414.443 1.371 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)c(C(N)=O)c1C 1136694863 CLZRWWWDUCJVNX-GOSISDBHSA-N 406.490 1.614 30 10 HDEE C=CCOC[C@H](NC(=O)c1nc2ccc(Br)cn2c1F)C(=O)OC 1139175802 MFDPZPPAKNQAMQ-JTQLQIEISA-N 400.204 1.710 30 10 HDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1141869296 BRYMENMSIGYLIK-PBHICJAKSA-N 406.483 1.769 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C2(C#N)CC3(CC3)C2)C1 1142596220 AEMMQKHAINKASG-HNNXBMFYSA-N 404.511 1.950 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1151432172 QFVFJWGGNFXALQ-DJIMGWMZSA-N 405.476 1.078 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)cc1 1155847240 ZIJLPKRUOILDCO-UHFFFAOYSA-N 417.365 1.997 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1165489253 KWHKIWCHWPQGEB-OALUTQOASA-N 405.462 1.338 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@H]3CCOC3)CC2)s1 1167409151 DDLSANRKDHWBRU-HNNXBMFYSA-N 413.565 1.124 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 1195028515 JNLZUXWOORUWKB-AWEZNQCLSA-N 405.520 1.276 30 10 HDEE N#Cc1cccc2c1CCN2S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 1212238954 FGGXBGCEJYLVMU-UHFFFAOYSA-N 403.485 1.850 30 10 HDEE CC(C)(CO)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1224523452 VHPFOCSHFDMCCQ-ABSDTBQOSA-N 405.520 1.368 30 10 HDEE C#C[C@H](CC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1251644848 BRXPNYPJZPNWOP-LLVKDONJSA-N 420.354 1.938 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21 1264321662 BTLCIWUEXDXLSL-JTQLQIEISA-N 409.372 1.849 30 10 HDEE C#CCN(C(=O)[C@H](OC)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 1264995917 XFIILBPOOPUXNP-ZWNOBZJWSA-N 406.323 1.847 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2=O)cc1Cl 1278489523 IFUHPUCNPLPCHW-DOTOQJQBSA-N 402.882 1.498 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286390313 AFIKWGGENCVLFI-RCCFBDPRSA-N 406.552 1.672 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1286435954 OPQHAPLRPDTXQV-UHFFFAOYSA-N 421.461 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1COc2ccccc2O1 1286460606 HFJXLOMFVIOQED-INIZCTEOSA-N 413.478 1.342 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1286475417 ZHXDDDRSVPQPJV-UHFFFAOYSA-N 410.547 1.688 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCO2)CC1 1286487228 DUIGBHWPDRQGDA-SJLPKXTDSA-N 419.526 1.147 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286509397 PRWFEORJHVZJDJ-KRWDZBQOSA-N 403.552 1.597 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286558596 POZFIJZPKFTKES-RXVVDRJESA-N 416.570 1.566 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCS(=O)(=O)NC)CC1 1286643715 RXXRZBNRCDUFRL-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1286748944 GRGGKBWESSQLQC-ZBFHGGJFSA-N 403.508 1.899 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286795112 FNAVNLZJSMFMEL-RDJZCZTQSA-N 424.505 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C)C1 1286823663 PEMDPVZYCGRCQZ-HNNXBMFYSA-N 406.556 1.977 30 10 HDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1286834535 GGDCDSGDUPSZKQ-UHFFFAOYSA-N 412.519 1.926 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1288530808 ICUQEKSDKCCWRJ-OAHLLOKOSA-N 416.457 1.593 30 10 HDEE CCCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1F 1289208415 WVGXZCIXLAKCSN-DJJJIMSYSA-N 417.466 1.369 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)(F)F)cs1 1290388595 RWPJLWMCYOGPPM-SNVBAGLBSA-N 415.445 1.908 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CC[C@](F)(C#N)C3)cnn2c1 1296446707 MJIIIKRLKKZLNL-IBGZPJMESA-N 402.430 1.874 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCOC1 1296534962 BXEQYQPUVIMFOB-XMSQKQJNSA-N 424.505 1.717 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1298002848 YWZNNHSQAYOLIO-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1300076399 FYVXRTLIMBVPDO-SJORKVTESA-N 410.478 1.597 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1300431092 SRCIMTDSFGKJBX-HNNXBMFYSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300489813 SSKCVKXQZZQQBP-QGZVFWFLSA-N 413.503 1.214 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N(C)C 1300517320 ZUNMZTREFIYPEI-UHFFFAOYSA-N 400.280 1.869 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCCC1 1300591381 PGXRNQQKOOIBOM-UHFFFAOYSA-N 407.522 1.648 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1300607021 ZFXMIVYDZISPSJ-UHFFFAOYSA-N 403.464 1.890 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1300673150 GGMXQZPHSCYGIB-UHFFFAOYSA-N 418.501 1.758 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nncn2C)CC1 1300701193 JRCXVFTVHRVRMY-UHFFFAOYSA-N 412.448 1.079 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCOC2)CC1 1300727471 YJBAFLWLPOVODA-SJLPKXTDSA-N 401.511 1.174 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300750778 BPSUPWGQWRNCKU-UHFFFAOYSA-N 424.530 1.832 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301258440 SJEZTQFLTCWHDG-MSOLQXFVSA-N 419.526 1.202 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1301452422 MKXJLAUMKFSMMV-QGZVFWFLSA-N 412.469 1.907 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCOCC2)C1 1301554298 ZIRGFGQNJXSAIO-ZWKOTPCHSA-N 400.527 1.786 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1301596404 NTYRIPGUBSAUDA-UHFFFAOYSA-N 406.556 1.538 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](CN(C)C)[C@H](CN(C)C)C3)n[nH]2)c1C 1302402870 AZUUXPAJESWCQS-QZTJIDSGSA-N 413.570 1.887 30 10 HDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1302420525 FTNQAEVSFYMXRG-UHFFFAOYSA-N 420.477 1.989 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(CC3CC3)n2CCOCCCO)CC1 1303001015 XVXAIAPFJFMMJE-UHFFFAOYSA-N 411.510 1.223 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1303003060 BPGUGLOQRVJIIE-CJNGLKHVSA-N 400.414 1.289 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)C1 1303933607 MFMWJGFZELOTKP-MGPUTAFESA-N 411.466 1.269 30 10 HDEE CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304271997 PRXYAVUBYQINFX-MGPUTAFESA-N 419.503 1.973 30 10 HDEE COc1ccc(Br)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589620 KCJSBOSRSBEDPY-UHFFFAOYSA-N 405.208 1.289 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312469274 JYEFUEDBFLUFMV-KSWRQPAISA-N 410.515 1.611 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CCO[C@H](C#N)C1)OC2=O 1313317326 KMOVHFWRINKUIT-LSDHHAIUSA-N 422.482 1.253 30 10 HDEE CCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1313764230 KBLMUQJOKQIEAH-CWFNNOHCSA-N 400.483 1.892 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CC1 1316086050 JEKMTHSQOBOKHW-KRWDZBQOSA-N 410.478 1.279 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)C1 1316339470 BFYFUFLDYMYRMP-SFHVURJKSA-N 415.519 1.867 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nnc5n4CCC5)CC3)CC2=O)cc1 1320613077 TVWPTJBTJYPNQE-QGZVFWFLSA-N 404.474 1.855 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)C1 1321285462 FIBYKKVMMQOIIJ-RTBURBONSA-N 422.493 1.881 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@]2(C3CCCC3)CCNC2=O)c1 1357767388 RTAPRDXEXKYKOM-XMMPIXPASA-N 423.513 1.556 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1358890602 RXMWFSWZVKMXHO-OPAMFIHVSA-N 422.537 1.388 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1358924316 SIYUPHBDGTXZKM-APWZRJJASA-N 422.493 1.574 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1358927728 IAPRTIHDYGRFGI-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1358967445 KOWZIKGCQJPYQL-KRWDZBQOSA-N 418.519 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCSC1 1358971498 YCYLIFLGMRPCIB-QGZVFWFLSA-N 420.336 1.977 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](OC)C(C)C)CC1 1359043210 LPUNWYWVJRUPJH-LJQANCHMSA-N 410.522 1.977 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1359113634 MUGJGTBEMHLCJC-MRXNPFEDSA-N 424.527 1.358 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359187402 MEGGPCVKGAPHFL-OAHLLOKOSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1 1359303845 CLSCFXGWPZZDNU-UHFFFAOYSA-N 418.505 1.950 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359336380 NYMFIQGIEQSFPB-AWEZNQCLSA-N 408.572 1.783 30 10 HDEE CC(C)COCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1360069927 ADUWKAKXTGPVGG-HNNXBMFYSA-N 416.482 1.797 30 10 HDEE C=C(Br)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1442594127 PTFLIEZOQDCNCW-NSHDSACASA-N 411.318 1.435 30 10 HDEE CN(CC(=O)NCc1ccnc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 1448864726 LCKDWPNPZLIAAC-UHFFFAOYSA-N 423.292 1.653 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1449167980 DKFBLOCZQKLTMH-AWEZNQCLSA-N 405.455 1.116 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ncnn2C)CC1 1455375291 QJZFEYVFZSIYJX-OAHLLOKOSA-N 407.515 1.875 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)cc1 1457029073 KBPAZQBSVFVZKW-LJQANCHMSA-N 420.531 1.785 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3nccnc3SCc3ccccc3)C2)c(=O)nc1O 1457203099 SNXLXJBAWVDKRC-UHFFFAOYSA-N 420.454 1.600 30 10 HDEE CN(C)CCN(CCN(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1457656922 GESATXYYFXFPLH-DKTYTTGXSA-N 421.586 1.725 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Br)cc1 1460786188 OOWBULHXCKVGJY-RDTXWAMCSA-N 404.264 1.960 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1)C(=O)OC 1464255830 NCVYKQBDFJMHKW-OAHLLOKOSA-N 422.500 1.764 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(O)o3)CC2)cc1 1467971421 NLMTYBBFABJXKH-UHFFFAOYSA-N 404.448 1.872 30 10 HDEE C=CCC1(CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCC1 1467989765 AFMAKBSVCMEPGT-UHFFFAOYSA-N 407.536 1.919 30 10 HDEE C#C[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1468327751 HIMHEZLSILWZHA-IRXDYDNUSA-N 410.854 1.609 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1468476940 ATHBVGWPRKHDRP-VGOFRKELSA-N 413.474 1.989 30 10 HDEE C#CCOCCNC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1469532273 MUOTUYMTQTZWRE-UHFFFAOYSA-N 424.542 1.574 30 10 HDEE C#C[C@H](NC(=O)NCC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1 1470663151 LHAIAXDDZOOSMF-ZDUSSCGKSA-N 402.314 1.737 30 10 HDEE CNC(=O)NC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1475390645 CXSASCSPTVFUSB-UHFFFAOYSA-N 401.286 1.403 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1478284630 LHTVYUSTWHEUHB-CQSZACIVSA-N 401.529 1.819 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1CCC1 1503431373 FYMUWINPELDVLG-UHFFFAOYSA-N 418.523 1.657 30 10 HDEE CO[C@H](CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1503956394 CPHZLGDHSIHFMM-LSDHHAIUSA-N 410.400 1.960 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1504648387 LCWNJHBUSCMLBV-QFIPXVFZSA-N 408.506 1.666 30 10 HDEE COC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1504700841 IHVAELBFPMDWLE-KGLIPLIRSA-N 405.480 1.166 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507571753 LXDFRUBLCBKBTF-IERDGZPVSA-N 414.510 1.748 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1507600047 BGFBBMDSXCYLNU-OAHLLOKOSA-N 419.551 1.944 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(-n2cncn2)nc1 1507620784 LGYNIVTWTXCFAA-UHFFFAOYSA-N 414.473 1.993 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1507625173 HRSMVILHHRMYLV-MRXNPFEDSA-N 403.464 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1507647967 SSXDXWPGVDLVBW-UHFFFAOYSA-N 415.519 1.354 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1507746146 LPTSJQJOSPTCGR-INIZCTEOSA-N 421.567 1.475 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507812922 ZUQBVWTYGMQBED-QRFRQXIXSA-N 424.567 1.811 30 10 HDEE CC(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1509334553 NSLKULUKDNAAMX-INIZCTEOSA-N 413.482 1.717 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1514410673 POZUFWCKDFMCSV-YOEHRIQHSA-N 414.507 1.243 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)C2(C#N)CCSCC2)CC1 1531732788 RZTSYDYWXXXIKR-UHFFFAOYSA-N 412.537 1.551 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1532707732 SHLRFVLNKUKKDE-YPMHNXCESA-N 404.410 1.528 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](OCC)C(C)C)CC1 1536641579 LIMSKNHESDKHHL-BCRJPVCJSA-N 402.535 1.924 30 10 HDEE N#C[C@@]12CN(C(=O)COc3ccccc3OCC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1538308429 FQUZBCMYJPRRDY-LRDDRELGSA-N 418.393 1.403 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1538760922 JWJFDNGQSAGCHQ-ZJNRKIDTSA-N 407.879 1.090 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539065002 AAWRLGRDEQYSEB-DAWZGUTISA-N 400.527 1.916 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1539154834 RRBHXDVNQROQQB-HXUWFJFHSA-N 401.467 1.411 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1539178353 HDXJYOOFUOOBAY-HKUYNNGSSA-N 415.563 1.770 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCS(=O)(=O)C1 1539407697 LZLSZNRMULIYMV-MRXNPFEDSA-N 405.524 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCO1 1539421801 YMVWTQBLUVQCAN-MRXNPFEDSA-N 417.535 1.925 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCN(CC)C2)CC1 1539427398 DJCUCSFCTNQRJW-SFHVURJKSA-N 415.586 1.294 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1 1539538428 HPJSJFWJSQKFTN-YLJYHZDGSA-N 422.599 1.756 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(=O)NC 1539569355 BLUNUZFHEVZBHL-CKJXQJPGSA-N 403.527 1.766 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539722781 RPSCLLBDDJXJDQ-IRXDYDNUSA-N 407.515 1.347 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539778482 BFYZARSPFBDQKW-JKSUJKDBSA-N 410.906 1.857 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO)C1CC1 1540092489 KKRHPHZVTQFZSQ-SFHVURJKSA-N 402.543 1.516 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1COCCO1 1540198722 OXASGDLTYHDEHZ-CQSZACIVSA-N 405.455 1.060 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 1543139198 FBCPUXIHPKSICP-UHFFFAOYSA-N 401.463 1.910 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1554684833 FIRXQMXAESOCIA-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1555428116 BRDBOHJFXBJWKX-PMACEKPBSA-N 404.515 1.318 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cccc(C)c3nc2Cl)CC1 1558075243 QVBLUSOVPMZKFE-UHFFFAOYSA-N 406.895 1.422 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC 1562833426 QLQAORSGPLPTDN-UHFFFAOYSA-N 411.480 1.876 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1565102305 OXQLQQCNBHFESO-UHFFFAOYSA-N 424.383 1.710 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCC3(C#N)CCOCC3)nn2)C1 1565318496 XFRCSUGVTZDIEE-UHFFFAOYSA-N 419.486 1.189 30 10 HDEE N#Cc1cccc(C2(NC(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)c1 1565331745 RFAXDIHSOKSFAX-UHFFFAOYSA-N 405.458 1.279 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1583088049 RXSZZZPNZIMEQK-UHFFFAOYSA-N 413.434 1.352 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCSC[C@H]3C#N)nn2)C1 1583725862 QKRKBXWAJTYVDX-UONOGXRCSA-N 406.512 1.931 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)[C@@H](O)c3ccccn3)ccc2c1=O 1587169550 QDMTYAKIBGHZJC-SJORKVTESA-N 412.471 1.091 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1587217375 KUPKSTDDRVUWPD-CQSZACIVSA-N 423.922 1.896 30 10 HDEE CON(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C 1587605248 KAOQKAYCAICTPT-STQMWFEESA-N 411.480 1.345 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C#N)C1 1587635548 NYXRUQYTEFVSGO-STQMWFEESA-N 418.416 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1587639389 LEWHCFKUJVTHBF-XHSDSOJGSA-N 405.524 1.534 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccs1 1587662589 PQQGYNKIEVLKDS-AWEZNQCLSA-N 400.508 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@H]1C 1588114019 YVWLHSOEZQAARF-KSFYIVLOSA-N 408.458 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCCc1cnn(C)n1 1588167139 XPSYCLQWOGDTDD-UHFFFAOYSA-N 407.453 1.830 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccco1)N(C)C 1588246026 ZHLMTIZNZROZEW-GOSISDBHSA-N 408.506 1.759 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC2)n1 1588723149 JOAKGEQTHMRVFM-PKOBYXMFSA-N 414.510 1.649 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCO[C@H]2CCOC2)CC1 1588884990 QHTUWEGNJMLJQY-SFHVURJKSA-N 417.554 1.737 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCc1cnn(C)n1 1589142581 KQSXZGDPAFYBCM-OAQYLSRUSA-N 419.493 1.679 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1589150833 LYNHBSRIABDMFR-VQIMIIECSA-N 423.583 1.966 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1589243192 WTBZIVJOCJFAKZ-OAQYLSRUSA-N 402.462 1.898 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1595523483 WBIMXJHVMZIUBX-INIZCTEOSA-N 400.483 1.273 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1595570040 VFIOEOFQAHPDHX-UHFFFAOYSA-N 421.567 1.471 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCN(C)C2)C1 1595738801 VDNNUPWLBFCNHB-YLJYHZDGSA-N 403.552 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595760492 NTNGCAACEDQJAV-WBVHZDCISA-N 422.555 1.704 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595798165 MQULDMOUSSRIEC-BSDSXHPESA-N 424.567 1.839 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOCC2)CCOC1 1596790539 NMZYFLUJJVEHKC-NQIIRXRSSA-N 420.558 1.637 30 10 HDEE CC(C)CCOCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1607209851 KYTIPWLXFOEWTJ-KRWDZBQOSA-N 404.515 1.582 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCOC1 1617779602 BNPZGGFGJRAQRN-SJLPKXTDSA-N 424.505 1.869 30 10 HDEE COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]([C@H]2CCCO2)C1 1620605157 AQJFJTAHOUHUPL-KOUHRCEDSA-N 402.491 1.925 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OCC 1622506244 GIBUGHGKDPNSFW-ZDUSSCGKSA-N 419.297 1.724 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1625121028 BZGUFXOVDWVXMZ-UHFFFAOYSA-N 403.504 1.764 30 10 HDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1625165768 VVACPWFUQPKXGU-LBPRGKRZSA-N 405.303 1.504 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CS(=O)(=O)C2)c1 1626104544 ZQKQIRHANOHPIQ-MNDPQUGUSA-N 413.521 1.263 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 1628482348 ZQACGURYFNIWJT-SFHVURJKSA-N 400.523 1.403 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1628511231 VLEFHOJNXFGMSU-FQEVSTJZSA-N 418.559 1.857 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)C2)c1 1630766499 QYLDBKWRAGYDHU-AWEZNQCLSA-N 416.528 1.782 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1 1631239454 RIDJIRNJRHKNON-UHFFFAOYSA-N 419.420 1.654 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cc[nH]n1 1632933181 PSIQXNHSGPLBAO-HUUCEWRRSA-N 406.483 1.936 30 10 HDEE C=CCN(C(=O)c1nnn2cc(C)nc(O)c12)[C@H](Cc1ccccc1)C(=O)OCC 1632981074 LOXLVVKAGPDEMN-MRXNPFEDSA-N 409.446 1.941 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 1635412056 DZHZTDIJJNCRTJ-XUVXKRRUSA-N 404.470 1.381 30 10 HDEE CC(=O)[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1636964309 BLTWTYVUWAVOSP-IBGZPJMESA-N 403.504 1.929 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1)CS(N)(=O)=O 1637705533 FUBBCWUTEUZJKW-UHFFFAOYSA-N 413.931 1.358 30 10 HDEE Cc1c([N+](=O)[O-])cnc(N2CC(n3cc(C#N)c(O)nc3=O)C2)c1Br 1640165754 VITCRROPLQTXSU-UHFFFAOYSA-N 407.184 1.256 30 10 HDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C[C@@H](O)CC2(C#N)CCOCC2)CC1 1643298845 BBRYLNYIMIKXBD-WMZOPIPTSA-N 401.573 1.440 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCCC1 1643403141 HKCTXLLNJWZBHN-UHFFFAOYSA-N 404.471 1.894 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 1643853872 DWCUYPRKKYRAQY-QGZVFWFLSA-N 408.520 1.942 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2nc3ccccc3s2)CC1 1644281379 BBQDFZZXXNZJCC-UHFFFAOYSA-N 424.573 1.390 30 10 HDEE CCCOc1ccccc1C(=O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1648941317 AQPSULCCOURKAJ-UHFFFAOYSA-N 415.471 1.513 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1cn(C2CC2)c(=O)nc1O 1651043171 IVDCZDZZBBOIBQ-UHFFFAOYSA-N 407.430 1.964 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 1652012785 GWKRDMWGMNVPBV-HOCLYGCPSA-N 402.447 1.825 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1652135472 TXJZKFWBRIVRPG-RHSMWYFYSA-N 421.519 1.845 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 1654970113 PINORBXCGLZFRK-INIZCTEOSA-N 421.475 1.547 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1F 1655295638 OFBAXQCZCZXYEJ-ABAIWWIYSA-N 408.904 1.354 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1ccc(Br)cc1C)C(=O)OC 1663617503 JFRATJLXGVMEFP-AWEZNQCLSA-N 406.298 1.921 30 10 HDEE N#Cc1nc(NC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)ccc1Br 1672173828 DLNFXLMWRRRBRC-SECBINFHSA-N 402.274 1.391 30 10 HDEE C=CCCCN(CC)C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1681825498 XRXOCRXHHYMXBB-UHFFFAOYSA-N 409.508 1.828 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 1684134893 CHUDSCHVYQEMGW-SJORKVTESA-N 407.511 1.883 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1CCOCC1 1684188601 SRNFSKZCLRZZRM-HXUWFJFHSA-N 412.534 1.998 30 10 HDEE C=C[C@H](CC)CC(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1684819979 MMFLQNWYRLEFIX-WYCFBCSISA-N 400.479 1.440 30 10 HDEE Cc1noc(-c2ccc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)n1 1686039252 AYLJBAVUZIPGAB-MAUKXSAKSA-N 401.448 1.125 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1686057935 WMNGHKIOCPRPAR-UHFFFAOYSA-N 423.447 1.416 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CCC 1689929906 GUHONLCLSAGLID-IRXDYDNUSA-N 411.572 1.897 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689987766 BVWARZUJGDQSHB-QGZVFWFLSA-N 416.551 1.886 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC(C)(C)C)CC1 1690124671 QWMUIONDXZHKQF-KRWDZBQOSA-N 402.543 1.232 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1690579791 SQHCCRGJPRJOHI-FQEVSTJZSA-N 417.535 1.806 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690655052 FNAGHYUGJHAMMX-BZUAXINKSA-N 416.526 1.855 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690733636 JRZDUGKHSAEASA-INIZCTEOSA-N 419.555 1.647 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1690971424 QXZQGXLZPZISOK-OAQYLSRUSA-N 410.478 1.339 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694132827 VZZPUSCNHSDYRO-RJCBAWPRSA-N 415.542 1.848 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1 1696826556 HNPGOJSCWYKZAK-INIZCTEOSA-N 418.523 1.229 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@H]1C 1697007084 BGDCPAZBPDZUOA-OAHLLOKOSA-N 412.494 1.869 30 10 HDEE CS(=O)(=O)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1698305688 GXOQNDWKFSWARR-AWEZNQCLSA-N 423.470 1.160 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(O)CC2)CCO1 1698492271 ASUUQYHAQFZSEH-ROUUACIJSA-N 404.515 1.095 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1698494983 BBCIRUCZKYKKCA-GOSISDBHSA-N 416.526 1.899 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1705550201 UQLJADXZUIZZIR-CRAIPNDOSA-N 422.489 1.313 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCOCC1 1705599944 FLCMOLLUZGCTKX-KRWDZBQOSA-N 412.563 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1705624266 VPQFNFLPVZXVBN-UHFFFAOYSA-N 417.897 1.543 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)C(C)C)CC1 1705634889 LLSPAANMSVPSGO-NRFANRHFSA-N 404.559 1.026 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705906237 XSGDTHZMBLQSQV-KBPBESRZSA-N 403.464 1.347 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCNS(C)(=O)=O)C1 1705918203 DVYJYNKIUDNHSE-INIZCTEOSA-N 405.524 1.584 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1706594061 RZQNLMZPDIVQJM-VLIAUNLRSA-N 414.466 1.313 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1711613713 HIGXZCXEQRYOMY-UHFFFAOYSA-N 412.494 1.726 30 10 HDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1712347462 KIPFZIIPWPORGQ-INIZCTEOSA-N 407.482 1.756 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1722432553 AYHUIMYJRHNOSY-JQVVWYNYSA-N 417.554 1.501 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccs1 1722447416 MTOBNEUFACSTJI-AUUYWEPGSA-N 403.508 1.284 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1722523191 GBACEKSYNZNXEF-OAHLLOKOSA-N 412.581 1.859 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1722565482 SOBUHNLACYGDGE-UHFFFAOYSA-N 407.478 1.437 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1722719093 XFHQITDWMOSLDC-KNQAVFIVSA-N 408.506 1.665 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722730739 BJFOMLIPLLNDBE-HDICACEKSA-N 413.478 1.591 30 10 HDEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)n1 1726212730 BIRYWTMAQHEHFZ-UHFFFAOYSA-N 418.505 1.999 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1730485044 SDZJTGTXKKKPLY-JXFKEZNVSA-N 414.441 1.832 30 10 HDEE COC[C@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730494804 SDQWBNMRQRBBFH-PBHICJAKSA-N 419.530 1.795 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCC1=O 1730844754 UBYFBMYUGMAIRU-UZLBHIALSA-N 422.505 1.847 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1730973952 ZAZNRYUPJTTYES-OAHLLOKOSA-N 420.495 1.008 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1731141790 SRSXCUKTUIBSKI-RHSMWYFYSA-N 403.508 1.723 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1731150304 WFQIYYDPPAUVDH-DHBXDJLTSA-N 411.466 1.413 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1740534366 YHWFRPDSIUSWIJ-RRFJBIMHSA-N 408.528 1.242 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1740540414 ZJWIDLPLRFABKF-GCJKJVERSA-N 419.570 1.623 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1740590907 KQLWSSLCGREGRA-IRXDYDNUSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1740609977 QYVYRWRFPCLUQR-HOTGVXAUSA-N 418.519 1.726 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1740790088 PAGQJHXGZXWGTE-INIZCTEOSA-N 415.494 1.867 30 10 HDEE CN(CC1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747869263 PCGKOGNAMPBOJQ-VXPUYCOJSA-N 414.510 1.620 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC1(C)CC1 1747972988 BHTUUFIWOKWEOM-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1748697518 LCSMHIXUMVNMGV-UHFFFAOYSA-N 415.567 1.999 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)CC 1748771839 OTVIGTLDOBMZIG-LJQANCHMSA-N 404.540 1.777 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748794382 UXUBXYCBHCGGBS-AWEZNQCLSA-N 423.489 1.498 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1748989689 BBOHOHXNQHSXAY-JYRCXFKTSA-N 407.584 1.475 30 10 HDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1749137322 CFVCNOJMTYYVTM-UHFFFAOYSA-N 408.487 1.837 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1749599363 CQSLQYHLFGLBEL-HNNXBMFYSA-N 409.512 1.472 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1 1749722056 ZZBGOLWVIUMFPF-UHFFFAOYSA-N 405.524 1.654 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1751090089 WFBARALQYFAWCV-ZWKOTPCHSA-N 417.558 1.489 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1752387411 FYJWJQIABVXHHK-YCRPNKLZSA-N 410.478 1.432 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1760129312 JANGRYVKEBDBKA-GOSISDBHSA-N 402.543 1.475 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1760225532 SDJBASOZVZMCCU-HNAYVOBHSA-N 405.524 1.256 30 10 HDEE C=CCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760513417 XDDYFKFVFDDELV-RTWAWAEBSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1760520792 ZUGPVZCFWMXRNV-INIZCTEOSA-N 422.493 1.793 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1760523093 MBVDZHQZEHUILW-UHFFFAOYSA-N 424.465 1.568 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1760546097 IRUIBQGAYAAMIN-ROUUACIJSA-N 410.522 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760554600 HYNFLYOFGHFVJK-OAHLLOKOSA-N 409.556 1.279 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCO1 1760556609 JYRAIDMJFFROTC-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1760642557 JEZQBWUHPDOMGF-QGZVFWFLSA-N 405.462 1.882 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1760698836 QGTUZICZIGKJDV-JKSUJKDBSA-N 402.499 1.540 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC1 1761546981 OBXRUFUAMGOAMN-ZDUSSCGKSA-N 417.482 1.940 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC(=O)N1C 1763179370 UXRJSCVBHZLVHS-INIZCTEOSA-N 412.494 1.558 30 10 HDEE CCN(CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C1CC1 1766915601 RRVUZESPFCABKC-RXVVDRJESA-N 418.542 1.532 30 10 HDEE CCO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767721572 NRQGODJOEDRGOJ-GDBMZVCRSA-N 419.507 1.698 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cnc2c(Cl)cnn2c1 1767958723 AHOXVWHBBIFUAE-AWEZNQCLSA-N 416.873 1.482 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCCn1cc(CO)nn1 1768663594 VZTYTZNBQFPLKX-LJQANCHMSA-N 422.493 1.812 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(C)noc1C 1770218536 XIXBZAXOJWESLE-ZOBUZTSGSA-N 402.455 1.384 30 10 HDEE COCCN(C)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1771084610 GWYSSADFNDRNCZ-MRXNPFEDSA-N 418.473 1.303 30 10 HDEE N#Cc1cn(CC(=O)OC[C@@H]2Cc3cccc(Br)c3O2)c(=O)nc1O 1849069186 KYQBBZFKDWOIDK-NSHDSACASA-N 406.192 1.130 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 1850457948 BXNAOCIDCSASDO-UHFFFAOYSA-N 418.441 1.184 30 10 HDEE N#CCc1ccc(C(=O)NCc2nc3ccccc3n2CCN2CCOCC2)nc1 1851676645 NOUKWDMPADJWPY-UHFFFAOYSA-N 404.474 1.760 30 10 HDEE O=C(c1nccc(N2CCOCC2)n1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852050129 WGMPZSAJNMQDFU-UHFFFAOYSA-N 421.401 1.187 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852458101 HRQGWFDAYZXCSZ-HOTGVXAUSA-N 408.414 1.678 30 10 HDEE N#Cc1ccc(COC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1F 1852459284 ALTLTDPNNFHISY-CYBMUJFWSA-N 423.388 1.849 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2ccc(OC)c(C)c2)C1=O)[C@@H]1CCN(C)C1=O 1853789234 CRRXAOOHZHCTGE-RBUKOAKNSA-N 413.518 1.782 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cncc3ncccc23)C1=O)[C@@H]1CCN(C)C1=O 1853804150 CFELRSSQDASIIN-RBUKOAKNSA-N 407.474 1.480 30 10 HDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854068699 KYIBIANWLYUYOM-WMZOPIPTSA-N 403.504 1.444 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(OC)cccc2OC)C1=O 1854186746 UQDFCGXYYXBXLA-LSDHHAIUSA-N 401.463 1.164 30 10 HDEE C[C@H](C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O)n1cccn1 1854202010 IASSMZLSZAVPBT-XLIONFOSSA-N 406.490 1.261 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855044241 LFVNTHUOULNKBA-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccncn2)CC1 1855568305 GNCNCFNIYORYFV-UHFFFAOYSA-N 412.471 1.937 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734664 UVTDZZZABYELDG-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(F)cc3)C(=O)O2)CC1 1856653647 ZKZIRMUIXWNFLQ-MRXNPFEDSA-N 409.439 1.281 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@H]3OCCc4ccccc43)CO2)cc1 1856769243 YKKRFIRWAVYMCG-LPHOPBHVSA-N 414.439 1.720 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)CCN1CCCC#N 1857094254 KCZQDOBXSVCYIJ-HNNXBMFYSA-N 400.454 1.932 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c3ccccc3nn2C)C1)[C@@H]1CCN(C)C1=O 1857263494 HIHWPVKJKICYJK-CRAIPNDOSA-N 409.490 1.281 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1857435988 RICOCDFUAMWWBL-ZWKOTPCHSA-N 421.494 1.809 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C2CCN(C)CC2)c2ccccc2N1S(=O)(=O)CC#N 1857468126 WXOIIQWFHXTOGR-CQSZACIVSA-N 404.492 1.340 30 10 HDEE CC(C)n1cc(CN(C)[C@H]2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487564 AJFXPVKOTXHYDN-MJGOQNOKSA-N 400.527 1.649 30 10 HDEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1 1862629373 UPPNQYJAEZHFSY-QGZVFWFLSA-N 411.366 1.684 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(O)c1 1862752252 WDGPKZCWMRKPKZ-DYZYQPBXSA-N 414.370 1.965 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(C#N)c(F)c1 1889779063 TXELKODWNIBBSZ-INIZCTEOSA-N 406.439 1.772 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)c1 1891126505 TYWJUEJJRWVVOC-HZPDHXFCSA-N 411.487 1.864 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC(=O)O)Cc1ccccc1 1984850676 NDCKCRZBNRKURD-GOSISDBHSA-N 417.506 1.996 30 10 HDEE N#Cc1cncc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1 2118165731 FDVYGYIRFURMMK-ROUUACIJSA-N 416.459 1.315 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788237 CCCQBMAZVXVSAS-QDXKXIGTSA-N 414.509 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1ncnc(Cl)c1C#N 2183498242 XJYHYXVBJZGSKF-UHFFFAOYSA-N 413.887 1.226 30 10 HDEE CCS(=O)(=O)CNC(=O)N[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2233878631 IGFCOMLNNHFTJS-NSHDSACASA-N 402.347 1.800 30 10 HDEE CN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2243424712 WJXHOKPNHIZNJZ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247929730 GROUFMMZOGIWRR-UHFFFAOYSA-N 408.311 1.732 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCNC[C@@H]3CO)c2Cl)OC1(C)C 2281936769 QYJTVGFARDYMMO-ZYHUDNBSSA-N 400.737 1.401 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCOC3)sc2Cl)OC1(C)C 2281959660 PGBUWFKXUKAOPF-LLVKDONJSA-N 400.737 1.667 30 10 HDEE CC[C@H](N)CN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282490915 JIIJUBJUQFSCAW-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE CN(C[C@@H]1CCCO1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282829489 FMORKCIVVBUZQW-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCNC1 2282835502 VRSXXRBJJSCFDA-GHMZBOCLSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H]2C[C@@H](O)C2)OC1(C)C 2282840506 NTRPPKNAYODTKS-TXEJJXNPSA-N 402.347 1.023 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1O 2282854815 WJMLAYSAFDMARL-IMRBUKKESA-N 401.359 1.685 30 10 HDEE CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282860077 VIEFZLVWHUOBLD-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282867799 DQUPZLAKFQBSTM-LLVKDONJSA-N 423.387 1.149 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@H]1CCCS(=O)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2282869802 INWRYASTXPPWEF-AWEZNQCLSA-N 407.363 1.403 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCCn1cc(CNC(=O)OC(C)(C)C)nn1 2287079912 OOGGOSZYMURWOL-CYBMUJFWSA-N 400.505 1.018 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]3(C)CCNC3=O)cc2Cl)OC1(C)C 2288921840 HPFJRHRNLZZLNL-HNNXBMFYSA-N 420.749 1.258 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@]2(O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2319413205 HXXMQAKZSATIEL-FQEVSTJZSA-N 405.472 1.300 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364877016 JUTXVLZTXPATQU-STQMWFEESA-N 402.709 1.258 30 10 HDEE COC1CC([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)(N(C)C(=O)OC(C)(C)C)C1 2367787831 ZPMREGDTIMNNTH-HVEKOLDVSA-N 401.525 1.733 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OCC)ccc21 13791913 CGSIWNMWHRYZEP-BVGIJJTOSA-N 421.544 1.834 30 10 HDEE COc1cc(CN2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc(OC)c1OC 409766005 DHOHTJXQADQORX-CQSZACIVSA-N 414.466 1.081 30 10 HDEE C=CCN1C(=O)N(CCCN2CCC[C@H]2C(=O)N(C)C)C(=O)[C@@H]1Cc1ccccc1 431148969 GEWJPKJYJRWNSD-PMACEKPBSA-N 412.534 1.991 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1 435297382 JTOOPVRQEHKSNP-INIZCTEOSA-N 412.471 1.734 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C#N 439731076 HZWVXRBVCFIRHK-CQSZACIVSA-N 412.471 1.790 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)cn1C 441004793 RDIOOBCJDYDVLV-UHFFFAOYSA-N 408.528 1.074 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447265395 GRVXRRWEAPPBKE-UHFFFAOYSA-N 421.320 1.320 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 460374776 MRNADDBBAJIHTB-UHFFFAOYSA-N 412.542 1.536 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 460396050 WOFIRSOFPRAEAN-OAHLLOKOSA-N 417.535 1.982 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]cc2-c2ccc3c(c2)OCCO3)CC1 460808140 HTMMZAQFQAKPDA-UHFFFAOYSA-N 410.474 1.513 30 10 HDEE CC(C)[C@@H](C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 470345245 GZJPVHWPRPELRF-QGZVFWFLSA-N 418.475 1.239 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(C)c1NS(C)(=O)=O 471926848 IOPIJQHSTHSCIX-INIZCTEOSA-N 401.510 1.287 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)CC2)c1 474284668 KSBUFTIJCRFGHH-UHFFFAOYSA-N 416.459 1.117 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 479055350 FGUAWSAGSOLKQF-IBGZPJMESA-N 422.464 1.725 30 10 HDEE C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 480717218 SPDSSBSQLWJVKT-HNNXBMFYSA-N 408.499 1.156 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)OC 481608420 MRDJAEQNLBLDNC-KRWDZBQOSA-N 419.459 1.356 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC[C@@H]2CCCCO2)CC1 504362638 PXIWZDHGOYOHCP-KRWDZBQOSA-N 406.508 1.533 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508747401 NQRNDIDAWSMJOC-UHFFFAOYSA-N 411.466 1.440 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 508908329 SKAYLDBLAQLFBM-MRXNPFEDSA-N 415.498 1.822 30 10 HDEE CN(Cc1nnn(CCS(=O)(=O)c2cccc(C#N)c2)n1)C(=O)c1ccccc1 513816920 XDFCAAVHXSAMLJ-UHFFFAOYSA-N 410.459 1.291 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 539020208 CLURRZINOKPGBH-GOSISDBHSA-N 418.519 1.715 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)c1 539598201 CORDXYPFHJJHGP-UHFFFAOYSA-N 414.531 1.306 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(CN2CCOCC2)CC1 542365634 DSRLRPAJIMGZBE-HXUWFJFHSA-N 401.507 1.647 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 545471294 AAPRRPMRSRFEBO-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)nn1 547275920 BHTCPQGEIQGZEF-DJJJIMSYSA-N 405.455 1.490 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 549657592 FWHVMCMTTNHWEL-DLBZAZTESA-N 405.499 1.017 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@H]1CCCO1 549881681 YSYAVPYSEQUFNF-QGZVFWFLSA-N 416.507 1.148 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1c1ccccc1 552155836 GMMSAMUECYURTH-SJLPKXTDSA-N 408.506 2.097 30 10 HDEE Cn1cc(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cn1 581756335 DUMRFCCFYUTJQM-UHFFFAOYSA-N 408.462 1.300 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1C 581915549 HTDSMNCYUZXTMW-UHFFFAOYSA-N 410.459 1.673 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)C[C@@H](Cc3ccc(F)cc3)C2=O)nc1 583718123 WYXUVTVBCIQKPZ-OAHLLOKOSA-N 401.419 1.484 30 10 HDEE COc1c(F)cc(CC(=O)N[C@H]2CCc3cc(C#N)ccc32)cc1S(N)(=O)=O 618734403 CWMKGTLCTBZCND-INIZCTEOSA-N 403.435 1.700 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)CC2)nc1 618813080 RWOYRHLZKZBOEJ-NSUWLQGQSA-N 419.529 1.730 30 10 HDEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1OC 619569780 ORSFGTOMTWKGAV-KRWDZBQOSA-N 421.457 1.425 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)CC1 669459696 BBOGOLFKNSLXAM-UHFFFAOYSA-N 412.538 1.273 30 10 HDEE C#CCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCS(=O)(=O)C1 729334308 LXZHMQNCDLKFOS-MRXNPFEDSA-N 405.451 1.847 30 10 HDEE C#CCN(C(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)[C@@H]1CCS(=O)(=O)C1 729334676 AOGQIDQFXMVNGK-QGZVFWFLSA-N 408.483 1.991 30 10 HDEE C#CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729335355 MINMXXKJJKTZJU-DGCLKSJQSA-N 400.840 1.664 30 10 HDEE C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)N1CCOCC1 732707234 VWNVWPMSSSGOSS-OXQOHEQNSA-N 411.506 1.217 30 10 HDEE N#C[C@H](C(=O)c1cccc(OCc2cscn2)c1)C(=O)N1CCS(=O)(=O)CC1 732908471 MACPFJLQLGJEHA-MRXNPFEDSA-N 419.484 1.302 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n([C@H]3CCOc4ccccc43)c2=O)cn1 742144323 FWROZDPEYOLNEA-SFHVURJKSA-N 417.494 1.915 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCN(C)CC2)cc1C#N 747495203 JQRABIDNAVIOKZ-UHFFFAOYSA-N 407.474 1.574 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 755200811 ZOVYZWIKQJMMFX-PGMHBOJBSA-N 403.464 1.189 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 756685770 HLLZXKJACFAYGM-OVVADZGDSA-N 414.462 1.047 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C 767878893 CCWFUSNJXRKRNP-UHFFFAOYSA-N 408.508 1.469 30 10 HDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 769649887 AGOOEEGRRVYIIS-INIZCTEOSA-N 424.592 1.814 30 10 HDEE C#CCN(C(=O)NCCCN(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774167694 JMHVUXSZNTUMQE-OAHLLOKOSA-N 401.529 1.465 30 10 HDEE COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780213445 GXAJSZUYSPDCFV-HXUWFJFHSA-N 414.414 1.477 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](O)Cc1cnn(C)c1 786860442 IMJLPACQYMUEMR-XJKSGUPXSA-N 402.476 1.900 30 10 HDEE COc1nnc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)s1 788617591 ZRPCQXFNBVFAOL-UHFFFAOYSA-N 409.493 1.784 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)CCCN1C(=O)OC(C)(C)C 790847504 XJRYBBZYICRNCO-HNAYVOBHSA-N 415.556 1.872 30 10 HDEE C[C@@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N(C)CC(=O)NC1CC1 805591636 XEMWAXISOCRCTB-HIFRSBDPSA-N 416.453 1.192 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)COC(=O)Cn1c(O)nc2ccccc2c1=O 915405633 STAVJWPJAWLDRP-UHFFFAOYSA-N 412.789 1.809 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775085 KEYZMSDCZDTERD-HXUWFJFHSA-N 424.482 1.733 30 10 HDEE CCNC(=O)[C@H]1CC(=O)N(CC(=O)OC)C(=Nc2ccc(C(=O)OCC)cc2)S1 1084560036 SZKGGYLPHINHCX-CQSZACIVSA-N 421.475 1.494 30 10 HDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 1124381606 ZHYSXFNQDAOXER-GOSISDBHSA-N 417.531 1.522 30 10 HDEE COc1cc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)ccc1C#N 1126264131 LXFDTQOHXVXNNV-UHFFFAOYSA-N 407.492 1.270 30 10 HDEE COc1ccc(Br)cc1-c1ncc(C(=O)NCC(=O)NCC#N)s1 1128705287 NJYIDOZVFJMVEH-UHFFFAOYSA-N 409.265 1.951 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 1131941369 OJTJHMSZEVXBEY-ZDUSSCGKSA-N 402.563 1.644 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 1142905255 YYACRAYBOXWRKP-YUIUBULTSA-N 400.475 1.994 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@H]1CCO 1176335803 PZRUZTRPTZWCGR-LSDHHAIUSA-N 411.549 1.358 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)ccc1F 1178489964 JIYZXBGZEMGDRV-OAHLLOKOSA-N 411.499 1.809 30 10 HDEE CC[C@H]1C(=O)NCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1178641819 DDNMJNLKTZWEOE-INIZCTEOSA-N 420.535 1.413 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)c4c(c3)OCCCO4)C2)c(=O)nc1O 1180988296 CYCXETNYYIKNAN-UHFFFAOYSA-N 402.794 1.332 30 10 HDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 1186440671 ARYQPFUVIFHRFE-UHFFFAOYSA-N 411.431 1.066 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](CN3CCCC3=O)C2)c1 1213175882 HSSIDYKBLBIQHA-GFCCVEGCSA-N 412.309 1.954 30 10 HDEE COC(=O)[C@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C[C@H](C)C#N 1213939167 CBDOWFCYTJWTPK-RISCZKNCSA-N 418.313 1.459 30 10 HDEE N#CC1(CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCOCC1 1222087595 HIAMRRIRTQMFQV-UHFFFAOYSA-N 420.535 1.600 30 10 HDEE C#C[C@H](NC(=O)NCCn1cc(C(=O)OC)nn1)c1ccc(Br)cc1 1228244740 HXPMSMBWLIRVHO-ZDUSSCGKSA-N 406.240 1.501 30 10 HDEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1251234149 KDBGTXFQTWCSPG-UHFFFAOYSA-N 413.496 1.665 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CCCO2)cn1 1251446283 LDRZQSPQYHWGTM-WIYYLYMNSA-N 409.494 1.979 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286312646 XRDDOSKTEDTFSU-GOSISDBHSA-N 411.510 1.420 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1nnnn1CC1CC1 1286465699 QUSFUGIUDANMPU-INIZCTEOSA-N 400.487 1.051 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CC1 1286478252 ANYSFOAKAKYIPC-UHFFFAOYSA-N 417.941 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1286491095 FHXVTEUHTPLPJE-QFIPXVFZSA-N 413.497 1.853 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286495535 YOUZNFORIYNXJQ-QGZVFWFLSA-N 418.567 1.233 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286792606 CZAPNUKDESXGJL-GQIGUUNPSA-N 407.515 1.235 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(O)c2)C1 1286809019 GBGFXQZHKDFZAB-WMZOPIPTSA-N 418.519 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cnn(CC)c1 1286819067 YNOCAOFAWAXINR-UHFFFAOYSA-N 415.523 1.794 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286825747 WPAFTYZENDOEDJ-HOTGVXAUSA-N 418.567 1.681 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1286966526 ABJAKPAPSDBWGK-RDJZCZTQSA-N 421.567 1.983 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NCc3ccnc(C#N)c3)cc2[N+](=O)[O-])CC1 1297366240 MSYLPPRDSRVKGU-UHFFFAOYSA-N 408.418 1.460 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300496931 WMBXZQFOHPBANB-ABSDTBQOSA-N 408.568 1.654 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1300497698 CHGWAHXSMDRZQU-GOSISDBHSA-N 424.530 1.701 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1300602402 QLQPNQITOUGTAO-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NCC)c2)CC1 1300695882 NZPVXLGHDZNQCX-UHFFFAOYSA-N 417.517 1.826 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2([S@](C)=O)CC2)CC1 1300703308 FYQYBJJPOLAYBY-MHZLTWQESA-N 403.577 1.597 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1301498897 UYKXKNABHLJTIK-CABCVRRESA-N 413.544 1.081 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@@]1(OCC)CCOC1 1301596648 VAXRMMOUKWIOOA-JXXFODFXSA-N 424.567 1.623 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCCCCO)CCN1C1CC1 1303003891 KPASDTSWVDSZOH-FQEVSTJZSA-N 409.538 1.993 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 1303112166 SAJYLURPNLHUQO-SJLPKXTDSA-N 424.519 1.772 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 1303558413 ZMPWQXOHGOATIT-LBPRGKRZSA-N 404.319 1.486 30 10 HDEE C[C@H](NC(=O)[C@@H](C)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(S(N)(=O)=O)cc1 1308116731 JCJTZWYMIPABEM-LSDHHAIUSA-N 421.519 1.237 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1309650945 RENPPGYBVPKLDN-LLVKDONJSA-N 401.282 1.386 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1309696720 PBNQOPUDEPWTAC-UHFFFAOYSA-N 412.533 1.010 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)NC1CCN(c3ccccc3C#N)CC1)CC2 1312240849 HRZNARUKNNFOPK-KRWDZBQOSA-N 409.494 1.579 30 10 HDEE CN(Cc1ccco1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314758650 YSJLWQCKYCJKNW-HMWBCQRISA-N 412.450 1.538 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCn2ccnc21 1316102546 YCOGWCMHZRJGNU-CVEARBPZSA-N 412.498 1.370 30 10 HDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2cccc(F)c2F)n1 1328229359 BTCMWPNCSQSCIY-CQSZACIVSA-N 420.445 1.894 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@H](C1)C2O 1339282888 HFSYEGIPUHSPPZ-NVYBPEMASA-N 419.547 1.759 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1341217061 LRFFBXIKDRTCAH-KRWDZBQOSA-N 402.520 1.835 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1342229038 RGCQYSZBIRSVGB-PCJMVEANSA-N 416.503 1.511 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 1352904941 MDQZSVDFUQKFKL-AEFFLSMTSA-N 408.495 1.418 30 10 HDEE CN1CCn2nc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)cc2S1(=O)=O 1353681365 HXERVQWBWQIBOG-UHFFFAOYSA-N 412.393 1.318 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1358905206 VDAGNHFBENRLGH-KURKYZTESA-N 403.527 1.768 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1358946010 DRNAQRYZOUTCLA-UHFFFAOYSA-N 402.462 1.526 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358961819 FRNNHNHFFDYCNA-BRWVUGGUSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359031412 ANKQCCDBWUUPAA-VGOFRKELSA-N 411.506 1.249 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1359113399 IDDNHWNBLXWSHY-LBPRGKRZSA-N 411.450 1.576 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1359191562 FALSNRQCVPQOLP-UHFFFAOYSA-N 420.558 1.991 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359234231 INXWRGCSGBXQTB-UHFFFAOYSA-N 408.462 1.732 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359301859 NOWNTCHZTIMOPL-CVEARBPZSA-N 415.425 1.424 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)C1 1359325802 NDIPDXSXUHGDMW-DLBZAZTESA-N 403.487 1.085 30 10 HDEE C#CCN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 1360055233 POEFWBXWHRMIDF-LLVKDONJSA-N 413.286 1.837 30 10 HDEE CC1(C)COCCN1CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1360832224 HNKRBIXZYNMTGG-HXUWFJFHSA-N 424.549 1.903 30 10 HDEE C[C@]1(C#N)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 1439706938 GEERFOJHLIJIGF-AEFFLSMTSA-N 422.463 1.279 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C1 1445687301 KEBYEEYYKADWGJ-INIZCTEOSA-N 418.519 1.305 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(Cc4nn[nH]n4)CC3)CC2=O)cc1Cl 1455354533 JWFXDOWPVRRMIF-CQSZACIVSA-N 413.869 1.559 30 10 HDEE C#CCN1CCC(NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 1455946125 OTCOXADJSDUQNO-UHFFFAOYSA-N 413.337 1.578 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1459944660 XFXWKMSJDZWRBY-ZDUSSCGKSA-N 422.334 1.859 30 10 HDEE COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460839696 ZIPZQMNVPROWCI-NOLJZWGESA-N 413.293 1.533 30 10 HDEE COc1ccc(-c2ccnc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 1461485966 SPFUOFLMCHIYDH-UHFFFAOYSA-N 423.454 1.829 30 10 HDEE COc1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(OC)c1OCC(N)=O 1463086051 IMQGJSOZCLIYBU-UHFFFAOYSA-N 404.419 1.046 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1463606345 CJABGOIZMQVCKI-OTYXRUKQSA-N 421.288 1.947 30 10 HDEE C#CCN(CC(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)C(=O)OC(C)(C)C 1465438979 YLTPTSIJCDGKDS-HNNXBMFYSA-N 424.523 1.668 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](CO)c2ccc(F)cc2)s1 1469012127 GRATZJBGKIFJBV-AWEZNQCLSA-N 412.508 1.786 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3n[nH]cc3C#N)ccc2Cl)C[C@H](C)O1 1469284933 APGWIDZKNFOLMA-QWRGUYRKSA-N 423.882 1.985 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1 1469377570 WHISQFGLZLDQPY-QZTJIDSGSA-N 400.523 1.927 30 10 HDEE C[C@]12CCN(C(=O)NCC(=O)NCC#N)C[C@H]1C2(Br)Br 1470092809 BWFAXCPTYRVGFR-KCJUWKMLSA-N 408.094 1.164 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCS(=O)(=O)C1 1470592182 ADJJTWUQFJOLKW-WMZOPIPTSA-N 405.520 1.353 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)CCOCC1 1473118869 YSUDYAFFJHOVHN-FQEVSTJZSA-N 412.534 1.265 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(Cl)ccc2Br)CC1 1474681778 NLZHOUMYHXUDOC-UHFFFAOYSA-N 407.721 1.083 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 1476141311 ATDVHZSUZAECSO-HNNXBMFYSA-N 421.548 1.555 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C2CC2)CC1 1476690564 KOYMRAQLLORJKP-UHFFFAOYSA-N 408.528 1.034 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1500053736 FHGFXHAJBSLGDQ-LTDXQCTPSA-N 402.499 1.933 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1502119204 HKKINMGMIPJUJP-IBGZPJMESA-N 424.505 1.681 30 10 HDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1503418945 SFLVVAVTUYSONO-UHHPSXQGSA-N 409.450 1.092 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507545093 BLHMQTUVYPQWKR-HUUCEWRRSA-N 403.449 1.926 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1CC1(O)CCOCC1 1507714050 HNBANSUCNWRFAY-UHFFFAOYSA-N 418.469 1.624 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CCOCC2)CC1 1507721108 YMUHYZZXJYEBPR-QFIPXVFZSA-N 417.554 1.502 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCOCC2)CC1 1507722105 ZMWJOKMAGHMOCN-UHFFFAOYSA-N 411.506 1.250 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCC2(O)CCOCC2)C1 1508127946 NQPKYHNBWUJDQJ-IBGZPJMESA-N 413.522 1.977 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC1(C)C 1509657884 QBSHYESSBZWNAQ-HNNXBMFYSA-N 409.494 1.997 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1509953470 MSXLTPOLZWCPJX-GHMZBOCLSA-N 406.384 1.885 30 10 HDEE COCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1519401905 KHIRFIZJGNTIDQ-QGZVFWFLSA-N 424.461 1.992 30 10 HDEE CCNC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)s1 1534001468 KHJUUAXUKHVODX-UHFFFAOYSA-N 406.489 1.483 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@]12COCCN1C(=O)OC2 1535924982 XJKLWWWXYWVZSC-IFXJQAMLSA-N 410.471 1.301 30 10 HDEE COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1536564432 XGHPARRRHKWUTM-WMZOPIPTSA-N 403.454 1.998 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2nn(C)c(C)c2C#N)c1 1537542352 SWYVHDRGOQPYOW-UHFFFAOYSA-N 405.480 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)CC(F)(F)F 1538972730 LJYVPIDAVTWYGF-CHWSQXEVSA-N 424.493 1.230 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539085859 SFACYPLELYKLFW-UHFFFAOYSA-N 424.509 1.053 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539139469 IQBWSPRZIZHJAG-LPHOPBHVSA-N 409.490 1.994 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1539162672 WNQZRXVHKSCAPQ-UHFFFAOYSA-N 402.466 1.357 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC(=O)NCC(F)(F)F 1539272837 DDNPJKXKAYNMRY-UHFFFAOYSA-N 403.408 1.815 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)F 1539300601 VWHXTDRTCOAUJJ-FQEVSTJZSA-N 423.464 1.163 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(C)C 1539323998 NXMFYFIRIYHJQC-IBGZPJMESA-N 420.565 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(OC)CCOC1 1539417776 TXZYISUXMHRBPQ-NRFANRHFSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC[S@](=O)C(C)(C)C)CC1 1539444485 PTPNNWLNOZABJE-NDEPHWFRSA-N 402.568 1.586 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cncn2)C1 1539518323 XRSJLFLQBJMVDL-IRXDYDNUSA-N 401.540 1.972 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNC(=O)C(C)C 1539628280 OVUCCSWSMNEZKO-RYRKJORJSA-N 418.542 1.419 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1539637926 VEBNDDDITGQPKQ-HQRMLTQVSA-N 410.522 1.960 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539977657 RHMSODYWCQOEEV-SFHVURJKSA-N 402.543 1.781 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1541104867 BOEJCICNLNCUGE-NWDGAFQWSA-N 412.466 1.811 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1541990283 DEKKRIXLBMKBIY-CRAIPNDOSA-N 407.540 1.615 30 10 HDEE N#Cc1c(CCCNC(=O)c2cc3n(n2)CCCC3=O)nn(-c2ccccc2)c1N 1543521233 XCKMZMGLZVYEMH-UHFFFAOYSA-N 403.446 1.862 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cnn(CCC#N)c3C)C2=O)c1 1543606037 PTJZFIMZKUHSPZ-IBGZPJMESA-N 411.462 2.000 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)c12 1546102863 OTKSIAIOKZGUBC-OAHLLOKOSA-N 402.476 1.306 30 10 HDEE CN(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1552870955 IFFHMFYUBMLTEU-OAHLLOKOSA-N 404.902 1.905 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1555271093 ZIGWMNZDXZDFGO-BBRMVZONSA-N 409.487 1.671 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1 1556834932 XAVCYBAUQLTJHS-KRWDZBQOSA-N 404.532 1.809 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1 1556920792 HOYYSTFHGOWCLE-MRXNPFEDSA-N 413.499 1.337 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1562002332 WFAOXBCAQRQXAO-CEXWTWQISA-N 406.504 1.840 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1565156562 LQTCFUISYVLGGC-OAHLLOKOSA-N 417.535 1.879 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C1CC1 1565630125 SHVWQXBETHBZGM-MCYOWCNASA-N 418.494 1.807 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1cc(Cl)ccc1OC)c1cc[nH]n1 1565727622 IYNCVOTYBZRQEY-UHFFFAOYSA-N 408.842 1.714 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1569721354 FXASMBXUGXZFES-QLFBSQMISA-N 400.504 1.446 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(C(=O)C(OC)OC)CC2)cc1OC 1584169847 HBRHRYWQFIEENU-VQHVLOKHSA-N 404.463 1.563 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)COc1ccc(C#N)c(Br)c1 1585081685 WENQBRQQIWXYJI-UHFFFAOYSA-N 424.173 1.768 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C1CCOCC1 1586729981 JDZOFXONOBJJPW-LJQANCHMSA-N 419.547 1.695 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cccn1 1587599200 LBXIHABOFUNILR-MRXNPFEDSA-N 402.466 1.666 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1587783041 JMUMEWOIRPTABA-INIZCTEOSA-N 407.540 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)NC)c1 1588159214 SLQSRYPJDDFVQW-UHFFFAOYSA-N 418.501 1.076 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1594645454 MSXCMTHZSBMXDH-OALUTQOASA-N 416.570 1.914 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1594962499 KXBVLWWQCZQJEU-LBPRGKRZSA-N 420.333 1.142 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1595584287 KVCMCHQJSHCTFL-UHFFFAOYSA-N 421.519 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C[C@@H]1CCOC1)C1CC1 1595784029 AHCFMEZADMGLKA-INIZCTEOSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)C1 1595812722 ZXLZITOOQKNWHH-MRXNPFEDSA-N 414.535 1.964 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1596609573 AHWKUHXSEUYPHX-HNNXBMFYSA-N 415.490 1.279 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(CC#N)CCC(=O)OC)cc1 1597332388 LXTABEGKRGFALT-MRXNPFEDSA-N 405.476 1.516 30 10 HDEE CC(C)(C)c1ccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1598567905 PGQHLIQRERUSNJ-OXJNMPFZSA-N 403.504 1.111 30 10 HDEE C[C@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1612693815 BMPWZZZHNAXHPK-RDJZCZTQSA-N 410.478 1.480 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C1CC1 1613588186 ALTXZLDBWGULAI-AWEZNQCLSA-N 423.525 1.908 30 10 HDEE COC(=O)[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2CCCN1C2 1614686212 YPNYJZIHRSAXIZ-RBUKOAKNSA-N 400.328 1.807 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)C1=O 1618458951 PLJUPPPDCCJOQM-BFUOFWGJSA-N 400.870 1.806 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)C1 1620175388 NDPJVDXJOPIHOL-UHFFFAOYSA-N 410.450 1.601 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 1620515841 XWACADDJEGDDLZ-KNQAVFIVSA-N 416.497 1.856 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1620531446 GTPDBIHUDBMKIN-UHFFFAOYSA-N 419.547 1.650 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C 1621679149 OHCZZTRPZOFSPI-SFHVURJKSA-N 423.560 1.912 30 10 HDEE CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2)cc1 1621816693 FCQKKZFWNZOQSP-UHFFFAOYSA-N 407.517 1.866 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 1622979457 GVHRRRMVMVTAAE-ILXRZTDVSA-N 400.483 1.546 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)c2S1(=O)=O 1624137724 MYYMJLXOYSTJMI-CYBMUJFWSA-N 424.280 1.274 30 10 HDEE C=C[C@H](O)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1624997547 WBMFCDOGHDIIIL-GQVHDAKQSA-N 422.459 1.412 30 10 HDEE Cc1noc(C2(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)n1 1627754070 XFTFOWZRESLJDG-UHFFFAOYSA-N 415.475 1.456 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnn(CCO)c2)CC1 1628596711 GVJBCFIAMFAHAN-KRWDZBQOSA-N 418.295 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)CN2CCN(CC)CC2)cc1 1630154169 PJICKZAMJSYWSS-UHFFFAOYSA-N 408.568 1.297 30 10 HDEE C=CCn1cc(CNC(=O)NC2CCN(C(=O)c3ccc(OCC)cc3)CC2)nn1 1630560760 XKLPLTASCRHNEY-UHFFFAOYSA-N 412.494 1.967 30 10 HDEE N#CC[C@H](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1ccccc1 1636696604 TYXPTQPZKGWZRZ-NZEHOUKNSA-N 403.504 1.401 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)c1 1637728363 PGBSBTZPCZLNCZ-YHWKNFMLSA-N 422.425 1.724 30 10 HDEE C#CCN1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1638679266 ZTWISCKTNYPXAX-QGZVFWFLSA-N 402.882 1.759 30 10 HDEE Cc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 1639156725 CUTWRQMERWLCAD-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)cc2n1 1639187387 MXXHOCMGAOCYRM-FQEVSTJZSA-N 411.462 1.776 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1OC 1639836530 VVYZLQVFLIUNHM-GOSISDBHSA-N 405.495 1.502 30 10 HDEE Cc1nsc(N2CCN(C(=O)C3CCC(N4CCOCC4)CC3)CC2)c1C#N 1641801549 DTMCHXKVSWTGED-UHFFFAOYSA-N 403.552 1.863 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1642969244 TYXMSGUINNEXJD-WBVHZDCISA-N 411.462 1.279 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1644465928 MDGDRFXNIQARML-VQQOQKSQSA-N 421.494 1.156 30 10 HDEE CC(C)OCc1cccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1644636872 PTBHJIAXFNCHRA-ICSRJNTNSA-N 405.520 1.098 30 10 HDEE C#CCN(C(=O)CCN1C(=O)C(C)=C(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1644790295 VDTXMAUOMUMZOO-UHFFFAOYSA-N 417.506 1.943 30 10 HDEE COC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1647866026 FLIKTSNCBVFFLO-IBGZPJMESA-N 417.485 1.355 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn(CCC(=O)OC)c2C)c1 1648048347 ZSDUMOWPKFKZNN-UHFFFAOYSA-N 420.491 1.780 30 10 HDEE CN(C)CC#CCNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1648652159 VKFOQCMKTWGIBW-INIZCTEOSA-N 404.515 1.535 30 10 HDEE C#CCNC(=O)CN1CCCN(c2cc(C)c(C(=O)OCC)cc2[N+](=O)[O-])CC1 1650729438 HYFOIGYVJIZXOJ-UHFFFAOYSA-N 402.451 1.341 30 10 HDEE COC(=O)c1ccc(OC)c2c1CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1651287389 KOYQYDADQSQOHZ-VXPUYCOJSA-N 413.430 1.283 30 10 HDEE C=CCN1CC[C@H](N2C(=O)N[C@@H](c3cc(Br)ccc3OC)C2=O)C1=O 1651831632 QPKHOMBGOILKIZ-JSGCOSHPSA-N 408.252 1.838 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 1653396868 NVFTWIJTVVVJDA-PWFNWSNSSA-N 424.548 1.943 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@@H]2C)n(Cc2ccco2)c1C 1654775874 YOUNVBNOIGXKKV-HOTGVXAUSA-N 413.522 1.943 30 10 HDEE CN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCC[C@@H]1C#N 1655297461 XSAXEBANOCMKKQ-ZXYGXNQISA-N 413.503 1.858 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)nn1 1663990713 GSOOCIRWBPBQOI-UHFFFAOYSA-N 402.230 1.613 30 10 HDEE N#CCSCC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1681438742 HZGNGRWSENRQKA-KSTXQTNUSA-N 403.479 1.738 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)c2ccccc2OCC)CC1 1683516043 SNULRPPJVDJOOZ-QGZVFWFLSA-N 408.524 1.331 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C2 1687386568 MGTNPHAJQJMKLH-JKSUJKDBSA-N 405.501 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)N(C)C 1689840085 SCKNSKSCCCEWBH-HNAYVOBHSA-N 405.510 1.719 30 10 HDEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1689913158 ITTVTOXPEDKZPJ-QAPCUYQASA-N 415.469 1.922 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(C(=O)COC)CC1 1689937206 SAONUYIQTDKXPP-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1689944496 STAOBINSVKXIIT-AWEZNQCLSA-N 421.427 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)CN1CCOCC1 1690005272 YIMFHVNCTSOTSD-LJQANCHMSA-N 407.518 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC(=O)NC(C)C 1690055238 QUUCMRUDQJUZBN-UHFFFAOYSA-N 409.490 1.853 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)CC1 1690245006 BMPMSJAWFQFWEQ-QRVBRYPASA-N 403.527 1.822 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1690255686 VAFTVCBSKZBQMV-INIZCTEOSA-N 409.556 1.741 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690348840 CMPCYZAZYJWXSE-UHFFFAOYSA-N 410.931 1.534 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690643817 XLSBUSVNRYLNHL-HZPDHXFCSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC(C(N)=O)CC1 1690667036 OHXUKIJWKDAWGJ-UHFFFAOYSA-N 419.489 1.497 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690669444 FSGSNCQWICHTDU-HNNXBMFYSA-N 412.498 1.081 30 10 HDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1690828731 MRENIXMMGPXVGF-QRWLVFNGSA-N 411.510 1.478 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696090597 TVPVKFGBSLQRPZ-YLJYHZDGSA-N 417.466 1.295 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCS2)cc1 1698488074 BYIVXZIIHUJGEM-KRWDZBQOSA-N 412.519 1.951 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1705477688 REFGDCDTYBTKCH-IAGOWNOFSA-N 418.567 1.478 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1705492415 QFESNIYPKAMCJC-KSZLIROESA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1705509148 CYBLVYAXXBUDRM-UHFFFAOYSA-N 417.535 1.724 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccccc1F 1705581743 KFLJKTKVRRAFNK-QGZVFWFLSA-N 409.465 1.814 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1705617120 NOXBZSUSKZCICK-HXUWFJFHSA-N 412.586 1.625 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCNC(=O)c1cccs1 1705626275 PBTWSRZCWNMYQM-UHFFFAOYSA-N 412.519 1.861 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@@H]2CCOC2)CC1 1705649304 SHVZRRYGVPFFPS-QGZVFWFLSA-N 408.506 1.733 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1705656846 LDQANOYRDOIRQI-UHFFFAOYSA-N 415.519 1.607 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705664795 BHEGRLIWZAMZTH-SOUVJXGZSA-N 400.570 1.754 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705758011 HDGYQSODYDTPRS-LBPRGKRZSA-N 408.915 1.689 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1705848173 GGPIUYLUHSTROL-UHFFFAOYSA-N 411.466 1.699 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H](C)C1 1705884882 ZQAIDAFVNHFBNQ-GVDBMIGSSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccccc2CC1 1705897942 XQHJPMUNPCEIJE-QGZVFWFLSA-N 413.522 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705899409 RKHQZIXJMSHXIT-QGZVFWFLSA-N 423.521 1.596 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@@H]1C 1705906055 QQFQYPZLTSJIED-INIZCTEOSA-N 423.521 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1705924212 UOXLHPCPPJBHJT-LJQANCHMSA-N 418.586 1.812 30 10 HDEE CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)cn1 1706007589 GTHAEYLCAZJGNJ-UHFFFAOYSA-N 424.509 1.948 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1712390110 HAUHOPAQCPWOLA-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722290846 BKXFTQOSPRLCMD-DOTOQJQBSA-N 417.535 1.586 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1722332275 HLIZRUQSJPLCBO-ULQDDVLXSA-N 407.540 1.403 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1722370343 NHRFAFLJIKCASL-QZTJIDSGSA-N 419.551 1.018 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CCCn1cc(Br)cn1 1722386005 ORSHSORTKLTGBR-UHFFFAOYSA-N 405.300 1.937 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1722411011 WEQAOTZCQCRDPJ-SFHVURJKSA-N 410.522 1.677 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722412029 UANHFIBNKBYZIT-ROUUACIJSA-N 402.543 1.184 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@](C)(O)c2ccccc2)CC1 1722436830 LSMJVCZWDCFNBQ-CVDCTZTESA-N 422.533 1.282 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1722451825 ORINUSKXEFAJAR-GJZGRUSLSA-N 415.585 1.116 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC(C(N)=O)CC1 1722461551 HLMLYVDMUAZWJE-UHFFFAOYSA-N 413.547 1.968 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722532490 NVAAEXIMFUSCRV-SJLPKXTDSA-N 413.526 1.624 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722702178 GKMMLGCNNKKUQI-RTBURBONSA-N 422.489 1.881 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1722733050 WFEXNBJOCMBLEC-STQMWFEESA-N 405.615 1.749 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1723121359 FKWLLUUHXBKZEA-WFXMLNOXSA-N 420.533 1.971 30 10 HDEE CC(C)NC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1723646478 AQPXISIWWXUNMQ-YOEHRIQHSA-N 412.450 1.044 30 10 HDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1728715815 YFKKBGIIVDEOHM-HNNXBMFYSA-N 424.465 1.906 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1731180373 ASUBZSSLFGICRK-FQEVSTJZSA-N 404.490 1.735 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CCCO1 1740607076 CGZSZINKCHYOML-IBGZPJMESA-N 402.524 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCCn1cnnn1 1740658127 CPTSJBQUJAVHBX-UHFFFAOYSA-N 404.478 1.705 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740712441 ILHCGMVXHDIZPA-QGZVFWFLSA-N 415.544 1.806 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1740799686 SDVQCGBEQUCCQM-LNLFQRSKSA-N 419.526 1.406 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H](C)CC(N)=O 1740957700 XUJLSQYJWOYDCL-HNNXBMFYSA-N 422.493 1.133 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCOC2)C1 1740981277 MXWHHCADFKTLRO-XMSQKQJNSA-N 414.506 1.810 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748667491 VEANMHPVCYZPFE-XHSDSOJGSA-N 423.525 1.188 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1748784668 FCGFWDVEPNICBY-OAHLLOKOSA-N 408.462 1.859 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)CC=C)CC1 1749004905 PTNWSJRPLOWERK-MRXNPFEDSA-N 421.567 1.358 30 10 HDEE C#CCSCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1749026545 MCUZXPYERYPBGD-UHFFFAOYSA-N 415.519 1.655 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749033415 FRUIGIOZACYWPH-UHFFFAOYSA-N 411.597 1.820 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2cc(CO)nn2)CC1 1749304902 KVUJCYHABGRONQ-UHFFFAOYSA-N 414.539 1.964 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@H](C)O1 1749554234 CCFABDUKRAEWFA-HNAYVOBHSA-N 424.505 1.583 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(S(C)(=O)=O)CC1 1749625875 AWBGCNGNGQJRIZ-UHFFFAOYSA-N 414.491 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(C)(C)C)CC1 1749730608 KMFHSNWXPSKWKQ-UHFFFAOYSA-N 419.555 1.256 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1749732425 WLPQSZAHVRLTKZ-UHFFFAOYSA-N 424.567 1.922 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCC 1749734474 JGYIZVHVYHKLJW-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE CC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1749907412 FAYNFYUNJYWCRX-PKOBYXMFSA-N 410.478 1.908 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1751300235 KOHCIHWYTVPVBL-UZLBHIALSA-N 406.506 1.725 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)COCCO1 1751304345 WLGAJPWVMNWHCV-LAUBAEHRSA-N 410.478 1.324 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1760152690 VSRRWRAIZHYXEF-OAHLLOKOSA-N 419.489 1.272 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](OC)C1 1760277781 UAQBFDUOUGGHFO-SFHVURJKSA-N 424.534 1.902 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCNS(C)(=O)=O 1760288032 NRCSSFYHJFQGNG-LJQANCHMSA-N 424.571 1.128 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760400774 NDOLWNOJWPLCJA-JKSUJKDBSA-N 407.540 1.456 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760410370 BRWVAAYDBZDFAP-INIZCTEOSA-N 421.571 1.799 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760435101 XLSBQFDJDZGQIQ-MRXNPFEDSA-N 421.509 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC(C)(OC)C1 1760556974 VQNADUHXMSNHEE-UHFFFAOYSA-N 408.499 1.834 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1CC 1762674163 GYAFLLMTRPIMFR-KRWDZBQOSA-N 422.493 1.808 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(C)=O)CCOC1 1767451072 MVIOINLKFVDRBF-UXHICEINSA-N 404.515 1.586 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1767482091 GTCBCZJYYHNLFC-WIYYLYMNSA-N 418.542 1.535 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(F)F)CCO1 1771537669 SJJFBAQFGITCIJ-LBPRGKRZSA-N 424.408 1.406 30 10 HDEE COc1cc(C(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)cc(OC)c1OC 1772791995 DZVRIDQHNCGUFJ-UHFFFAOYSA-N 414.370 1.197 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1772842526 KMBOGWOIMMUVLT-JNFKXCBWSA-N 404.496 1.513 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)CC2 1848672336 NAZLCAHQRWMYQX-ZDUSSCGKSA-N 408.446 1.247 30 10 HDEE C=C[C@@H](CC(=O)OC(C)(C)C)OC(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1852085928 VEZTYYVKTJXYCD-HOCLYGCPSA-N 403.541 1.961 30 10 HDEE Cc1nc(C(=O)OCCO[C@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1Br 1852314756 QPEZPXYMVPZJGS-NSHDSACASA-N 417.281 1.693 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2Cl)C(C)C)CC1 1852688416 GMSPJFRGGWOFQZ-SFHVURJKSA-N 411.955 1.810 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@H]3C(=O)N3CCc4ccccc43)CC2)n1 1852910649 LCFYLKUHYZZACY-QZTJIDSGSA-N 402.458 1.222 30 10 HDEE N#Cc1ncc(C(=O)N2CCN(C(=O)c3ccc(Br)s3)CC2)cn1 1853402644 GMXKQBYJYALUAG-UHFFFAOYSA-N 406.265 1.770 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCCC2)c2cccnc2)CC1 1853482555 FRQKKPXPQORSNH-UHFFFAOYSA-N 406.508 1.800 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-n3cccc3)ccn2)C1=O 1854208951 BSWOCLZDTJYEJW-RTBURBONSA-N 407.474 1.332 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@@H]1C 1854259159 WEMBKUDKGRAMMD-GOEBONIOSA-N 409.483 1.224 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854326540 BEZAKJKBDDHVMJ-KRWDZBQOSA-N 408.462 1.198 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC(Cn4nccn4)CC3)CCC2=O)ccn1 1854706351 IAUFANGGSJKCIM-QGZVFWFLSA-N 407.478 1.336 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1854783795 MLVBQOUJOTYRNO-JTQLQIEISA-N 420.274 1.285 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2COc3ccccc3C2)c2ccccc21 1855763795 UFTXFQRBVUHWEV-HNNXBMFYSA-N 411.439 1.471 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(CCn4nccn4)CC3)CC2=O)cc1C#N 1856008372 DQOLPJASYDFTDZ-FQEVSTJZSA-N 406.490 1.859 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nc3nccnc3cc2Br)CCN1CCC#N 1856197427 QINQIZNIBGKKCD-JTQLQIEISA-N 403.240 1.374 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1=O 1856338359 QWLFGWOGVHIUSI-HOTGVXAUSA-N 408.499 1.375 30 10 HDEE Cn1ccc(CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C23CCCC3)cc1=O 1856705900 LGVJWEINLKYPLE-UHFFFAOYSA-N 405.458 1.449 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)n(CC)n2)C1)[C@@H]1CCN(C)C1=O 1857079652 FNOZULOSTURXTE-SJLPKXTDSA-N 401.511 1.309 30 10 HDEE Cc1ccc(CC(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1857148675 FKFRBPGRLHPSHG-LJQANCHMSA-N 404.474 1.147 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(OC)cc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857236395 FRZXXXPRRKODLQ-DNVCBOLYSA-N 415.490 1.411 30 10 HDEE Cn1cc(C(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CCC2=O)nn1 1857236955 QLUZAYCCEPUHPG-HNNXBMFYSA-N 407.478 1.340 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccccc2Cl)C1)[C@H]1CCN(C)C1=O 1857264711 NZXMLZVVDZIDBS-YJBOKZPZSA-N 403.910 1.976 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857380607 FSQJJTUYJJIAGR-SFHVURJKSA-N 403.504 1.522 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)C[C@@H]3CCOC3)C2)CC1 1857397770 PTFYPVHTZQWNEI-ROUUACIJSA-N 411.506 1.267 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CC)c(C(=O)O)cc2=O)nc1C 1857888665 YLWCWUXWBODTDS-UHFFFAOYSA-N 421.431 1.692 30 10 HDEE C#CCOc1cn(CCN(CC)CC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870562053 OMCQPLYADLEBFV-UHFFFAOYSA-N 418.538 1.476 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590940 AMSQISJVRPSKEZ-UHFFFAOYSA-N 423.565 1.998 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622423 OQUUJJFTFRIWLB-UHFFFAOYSA-N 424.509 1.025 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(c4ccccn4)CC3)ncnc2n1CCOC 1873590361 PTXOCQOVSPVWPL-UHFFFAOYSA-N 421.505 1.715 30 10 HDEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873592014 YYKUXINSVQWCGJ-UHFFFAOYSA-N 422.493 1.110 30 10 HDEE Cc1nnsc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889291845 WYAMHFBYCVQEFY-UHFFFAOYSA-N 405.568 1.497 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cs1 1889591323 VKVPRRYWYRLQMP-HUUCEWRRSA-N 424.530 1.935 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)cs1 1890070273 NFCDYDWNEMBOKM-UHFFFAOYSA-N 421.482 1.980 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1COC1 1985179643 IXVAEVQKEDWAQL-RBUKOAKNSA-N 414.506 1.763 30 10 HDEE CC1(C)OCCO[C@H]1CNC(=NC[C@@H]1CCCO1)N1CCN(c2ccccn2)CC1 2087917245 HFVWIZUNGWGYTG-OALUTQOASA-N 417.554 1.522 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2174772557 GUKBCMLKFOUIKQ-AREMUKBSSA-N 422.573 1.822 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)N1CCC[C@H](C#N)C1 2174788477 FTVGWBMMCOXJAD-LXTVHRRPSA-N 402.517 1.127 30 10 HDEE COC(=O)CS(=O)(=O)NCc1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2237717200 VNZNZBRYXTZIFZ-UHFFFAOYSA-N 403.331 1.257 30 10 HDEE Cc1nc(NC(=O)[C@@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2243679042 RQCAECGKXBXVGT-GFCCVEGCSA-N 406.292 1.936 30 10 HDEE CC1(CCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)OCCO1 2247952771 ORDJXBIBXUNQLG-UHFFFAOYSA-N 403.331 1.479 30 10 HDEE C#CC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258172038 XLUSSSRTIXJLIT-KRWDZBQOSA-N 408.476 1.129 30 10 HDEE C=C(C)CN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258172344 YQUVHJPMHXBXIN-KRWDZBQOSA-N 410.492 1.825 30 10 HDEE Cc1cc(S(=O)(=O)NCc2csnn2)sc1B1OC(C)(C)C(C)(C)O1 2267353668 RVMCYSOCEYGRPJ-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)[S@@](C)=O 2267411520 ZYMNEVFIARTTSI-CCGUKBGLSA-N 407.388 1.401 30 10 HDEE CN(C)C[C@H]1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282330861 GNIWBFYSHIZZJU-BETUJISGSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](CN)C3)c(Cl)c2)OC1(C)C 2282500543 YWTGJERUMXPGPW-GFCCVEGCSA-N 400.737 1.609 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3[C@H](C2=O)C3(F)F)OC1(C)C 2282502735 PCKDSJDZMVQPRR-LDYMZIIASA-N 405.253 1.460 30 10 HDEE C[C@H]1C[C@H](N)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506151 NZUFGSIHDQRMNW-RYUDHWBXSA-N 400.737 1.749 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)OCCO1 2282618596 NFQUEFMYKADSKF-AWEZNQCLSA-N 403.288 1.391 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@]2(C)CN)OC1(C)C 2282836549 LOANXAQTWGDYLV-INIZCTEOSA-N 401.363 1.085 30 10 HDEE CCN(CC)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282837091 RYBHOXXQOMEGSB-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE CN(CC(C)(C)CN)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837188 BZJTVPRJUNCGGX-UHFFFAOYSA-N 403.379 1.189 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@@H](O)CC2)OC1(C)C 2282844947 KYLFTAHYWHSLIP-OKILXGFUSA-N 401.359 1.770 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCC(=O)NC3)cc2Cl)OC1(C)C 2282845594 WEBKVCRARXHROO-SECBINFHSA-N 420.749 1.258 30 10 HDEE CO[C@@H]1COC[C@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858863 DLIBDDYIDDOOCT-CHWSQXEVSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](C4OCCO4)C3)cc2)OC1(C)C 2282864037 YKQQEHVPMWOHMO-OAHLLOKOSA-N 423.340 1.759 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871546 IXQAFJSUMBQYQP-CHWSQXEVSA-N 400.375 1.822 30 10 HDEE COc1ccc(C=C2Oc3cc(OCC(=O)NCC(=O)O)ccc3C2=O)cc1OC 2297473291 DKXDBNXGENCYHP-UHFFFAOYSA-N 413.382 1.900 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2O)CC1=O 2327841577 RXMUXWBDFONWNP-CYBMUJFWSA-N 416.507 1.558 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365206110 FLPMIQGOGPWNFI-ZRGWGRIASA-N 400.541 1.556 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2365213543 VFNSTTUNQLHZLT-FPCVCCKLSA-N 400.541 1.283 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367816029 GTRGGRQCXGREOR-HNAYVOBHSA-N 402.557 1.457 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2373484849 PVCDPSZUWMUKDQ-HBUWYVDXSA-N 400.497 1.009 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)cc2C1=O 9702391 VMHFDHAHOSDSMZ-UHFFFAOYSA-N 420.377 1.839 30 10 HDEE Cc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444401 WPELCAJFSUDUBE-JKSUJKDBSA-N 421.457 1.645 30 10 HDEE COCCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 106090029 QYJLODQXBNFEAE-UHFFFAOYSA-N 416.503 1.798 30 10 HDEE COC1=CC(=O)/C(=C2/C=C3NNC(=O)[C@H]3[C@@H](c3ccc4c(c3)OCO4)C2)C(OC)=C1 136860350 VTJFDXQOHBMFHN-HECFUEOZSA-N 408.410 1.977 30 10 HDEE N#Cc1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1N1CC[C@](O)(C(F)(F)F)C1 302873139 CUKWMASYRKEAHI-ZIAGYGMSSA-N 410.318 1.960 30 10 HDEE C=CCNC(=O)Cn1cnc(I)c1I 308520499 HKUBSVNQKKDYEN-UHFFFAOYSA-N 416.988 1.395 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 409493733 XEFXYGJGEVCZIV-JCGIZDLHSA-N 414.478 1.547 30 10 HDEE C[C@H](C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)n1cnc(C#N)n1 409634049 YSLFTVHLOWRJCL-CQSZACIVSA-N 402.480 1.202 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CSc3nc(O)cc(C4CC4)n3)CC2)o1 436254590 TUTORDKJTHYSDB-UHFFFAOYSA-N 400.464 1.669 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c1C#N 441954568 KDAQCKJVGOCYGU-INIZCTEOSA-N 404.536 1.620 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 441999240 LBTDEJBWHLKTDH-UHFFFAOYSA-N 417.466 1.257 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NCCOc1ccc(C#N)cc1 460278014 WPPAAASBILHRKE-UHFFFAOYSA-N 411.462 1.327 30 10 HDEE CCn1c(=O)c(C(=O)CN(CCC#N)CC2CC2)c(N)n(Cc2ccccc2)c1=O 471215032 FTCPJZRNRWOFKB-UHFFFAOYSA-N 409.490 1.469 30 10 HDEE CCCNc1ccc(C#N)cc1NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 476111347 DONQALDNWINUPY-FQEVSTJZSA-N 413.478 1.934 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477472605 UUOLKXXGZVTYDQ-UHFFFAOYSA-N 406.508 1.275 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 486657667 YYHBVAVYSJYOPL-PUAOIOHZSA-N 412.924 1.922 30 10 HDEE COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489055178 VJHDMYZBAUBLGQ-UHFFFAOYSA-N 416.503 1.785 30 10 HDEE COc1ccc(CN2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2=O)cc1 489640537 RJWNRHWHWBGWCH-UHFFFAOYSA-N 414.487 1.694 30 10 HDEE CSc1nc(O)c(C(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1C#N 495821030 SJWHPJGQNSZLCU-AWEZNQCLSA-N 404.492 1.624 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 502195733 MEXKKRKFEJOHQN-UHFFFAOYSA-N 410.858 1.836 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](C#N)C2CC2)CC1 505955290 UYRCUNMSTUNAAU-MRXNPFEDSA-N 405.476 1.292 30 10 HDEE CN(C)C(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[nH]1 506788527 ANRVZQLLYNRTNQ-UHFFFAOYSA-N 401.492 1.095 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508888695 OWCVVGIMRFLHOG-HXUWFJFHSA-N 415.519 1.641 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CNS(C)(=O)=O)CC1 510177198 SDIPASVMNVDTTQ-OAHLLOKOSA-N 410.515 1.722 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)C1=O 525557186 CHWVXBGGGBHQFK-XJKSGUPXSA-N 404.492 1.224 30 10 HDEE C=CCN(C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 531208788 HGNXETFGMXQAIE-GOEBONIOSA-N 414.549 1.242 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cn1C 538136381 WIRJGTOWCMLJSV-UHFFFAOYSA-N 415.519 1.105 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)c1 540368670 FKKFDCAYFBGNPF-UHFFFAOYSA-N 419.363 1.981 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541801275 JQVQLDDEVXNQGV-UHFFFAOYSA-N 412.471 1.340 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3cccc(C#N)n3)CC2)NC(C)=O)cc1 544833947 ZTNGQLZXNIQNJT-HXUWFJFHSA-N 407.474 1.878 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccccc3C(=O)N3CCOCC3)CC2)n1 545504769 AITSMKJXKGARPG-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 560678249 FGZDKWLSCMAMKI-GOSISDBHSA-N 423.510 1.628 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 566750113 CPYBPIMZKXVDNU-KRWDZBQOSA-N 423.514 1.963 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(Cn4cncn4)cc3)CC2)n1 567286979 GDXBNOSDQPZLFZ-UHFFFAOYSA-N 402.462 1.625 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3C[C@H]3CCCO3)CC2)c1C#N 583072232 JBXSEOVLZCWULH-QGZVFWFLSA-N 410.526 1.965 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NCC(C)C)cc21 586311932 CLTLQAGLQRZTAI-HJFSHJIFSA-N 406.504 1.690 30 10 HDEE C=CCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 669813983 GGRGTGVEPRRRTH-UHFFFAOYSA-N 424.549 1.230 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCO)cc1 703968835 HDCSMMXKNVQPFH-OAHLLOKOSA-N 412.467 1.307 30 10 HDEE CN[C@@H](C#N)Cn1c(C)nc(I)c1I 725538102 RCNNIBDRKLBBEY-LURJTMIESA-N 416.004 1.512 30 10 HDEE Cc1nn(C)c2c1[C@H](C(=O)NCc1ccco1)N(C)C(=O)c1cccn1CC#CCO2 725712368 COCWRKZHBZZHSJ-LJQANCHMSA-N 421.457 1.649 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccoc2)c1=O 727417517 GSBGKPUBLRSQRQ-UHFFFAOYSA-N 424.478 1.934 30 10 HDEE COc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1OC 727742811 FGIUDRYZCFDVNR-UHFFFAOYSA-N 419.459 1.780 30 10 HDEE C#Cc1cccc(N(C)CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)c1 728574137 WTNATFJDMMQMJO-UHFFFAOYSA-N 416.481 1.961 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1)[C@@H]1CCS(=O)(=O)C1 729332094 UUTBWHGWMWNAQB-HZPDHXFCSA-N 404.488 1.087 30 10 HDEE N#C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C1CC1 731203166 MAZZKQQLBHNNLW-KRWDZBQOSA-N 413.455 1.926 30 10 HDEE CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 734954059 DXAJYSPXMDXPEO-LBEKAKSKSA-N 416.547 1.871 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cn1 735068879 HHHYUZMHZDKMTH-UHFFFAOYSA-N 408.483 1.448 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(S(=O)(=O)N2CCCC2)cc1 742394030 ZAJCNSHHWGLSSD-UHFFFAOYSA-N 420.516 1.602 30 10 HDEE C[C@H](CC(=O)NCCNC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742512385 GKXSNEMPSGSMMT-CQSZACIVSA-N 414.487 1.050 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 744143370 BWKDDFCQTAUUJK-QGZVFWFLSA-N 412.471 1.619 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C#N)ccc2O)C1 748412342 RAQLIHCDTAZVCD-AWEZNQCLSA-N 404.448 1.908 30 10 HDEE COc1cccc(-c2cc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)n(C)n2)c1 763121332 ZTXKIOLTRDRNKF-UHFFFAOYSA-N 419.445 1.529 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[C@H]1CCS(=O)(=O)C1 774040299 RFDFAWGNMWDIFO-KRWDZBQOSA-N 421.544 1.530 30 10 HDEE C#CCN(C(=O)NCCC(=O)Nc1cccc(Cl)c1C)[C@@H]1CCS(=O)(=O)C1 774188942 MMFNUBNIQLVVKI-CQSZACIVSA-N 411.911 1.809 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)OCc2ccc(C3(C#N)CC3)cc2)n(C)c1=O 777142321 MTOCJLBHKZVGTB-UHFFFAOYSA-N 407.430 1.122 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1 780918846 CPVSTLZFFANFFL-HXUWFJFHSA-N 405.458 1.684 30 10 HDEE CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@H]1CCN(c2ccccc2F)C1=O 784804512 SSINRSYWAAHHDX-SFHVURJKSA-N 410.405 1.930 30 10 HDEE O=C1C[C@@]2(CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CN1 790172800 ZSCZOHGHNIZJQU-FQEVSTJZSA-N 418.519 1.024 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798744922 WLWNQRRUVHCKOU-UKRRQHHQSA-N 413.434 1.635 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCC1(C#N)CC1 808653940 ITFZPXWZDPYZAH-UHFFFAOYSA-N 407.492 1.482 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@H]1CS(C)(=O)=O 1129171650 HHNQBVXDOALHIT-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(CC#N)n2)C1=O 1132801435 RRWFLTIYKOZBJU-NRFANRHFSA-N 407.430 1.870 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1141594003 QOSSWJQWYHTDAT-CTNGQTDRSA-N 412.511 1.611 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1147267254 CJXZWAZKZWAVHJ-KDOFPFPSSA-N 410.478 1.819 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 1149470207 DHRNVMIKXBIDTD-QGZVFWFLSA-N 414.412 1.369 30 10 HDEE CC1(CNC(=O)CCn2cc(C#N)c(O)nc2=O)CCN(C(=O)OC(C)(C)C)CC1 1152343719 ASQNOLWOIVOBMR-UHFFFAOYSA-N 419.482 1.364 30 10 HDEE C#CC[C@]1(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1152710395 OFPRHCKGGBHXCQ-OPAMFIHVSA-N 419.522 1.269 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCn3cc(C#N)c(O)nc3=O)CCC[C@H]12 1154252062 NOHKALFHKNSTOW-VBKZILBWSA-N 417.466 1.259 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ccnc(N(C)C)c3C2)c1 1159616680 GTPXHLCBUDUJFZ-UHFFFAOYSA-N 400.504 1.810 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)c1 1170127212 FDSXJJOMJFBHNJ-HXUWFJFHSA-N 407.426 1.755 30 10 HDEE C=CCCn1cc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)nn1 1178673572 SDDLONHBAWARRG-UHFFFAOYSA-N 421.523 1.886 30 10 HDEE C=CC[S@](=O)(=NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1)c1ccccc1 1180150926 VIQXNFYFDRTRLG-AREMUKBSSA-N 411.505 1.793 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1212393036 ZJYWCLHIAJRJHB-OALUTQOASA-N 408.520 1.729 30 10 HDEE COc1nc(N2CCN(C(=O)NCC3(C#N)CCC3)CC2)ncc1Br 1230204697 DLKDGGJPMXQVAY-UHFFFAOYSA-N 409.288 1.773 30 10 HDEE CN(C)[C@@H](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1248376391 XRHVQEWLYYKAIN-HOTGVXAUSA-N 411.428 1.841 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 1248674880 BENNQWHFSKOZJV-QGZVFWFLSA-N 424.954 1.454 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCOCC1 1253348544 REXGAWSKEGHMGS-PMACEKPBSA-N 400.523 1.003 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286289006 IZOHZMBXMGRWJX-SPLOXXLWSA-N 407.478 1.118 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1286361251 MMGRPSUADDSFDN-XJKSGUPXSA-N 409.487 1.485 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286470041 RAEJMRHQOYRFDB-SFHVURJKSA-N 412.513 1.640 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286481077 RXFXFOHFPXHQAK-CEXWTWQISA-N 403.527 1.326 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1286582106 RCIJMBHXLWTHQW-QGZVFWFLSA-N 406.556 1.949 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1286726840 JDWDWVBDMQOCTF-PBHICJAKSA-N 404.492 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286785158 GIEDWOIHWHQAGL-MRXNPFEDSA-N 409.494 1.137 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)NC(C)C)CC2)cc1 1286794338 DBKPYWKXYAYEJF-UHFFFAOYSA-N 412.538 1.846 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1286794867 BCSNYJQTLYHFKD-QFIPXVFZSA-N 421.505 1.993 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1288201017 BAITWKYDGXHIET-HNAYVOBHSA-N 422.555 1.225 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1293587189 MLWBRUDQAJBMPS-CYBMUJFWSA-N 423.470 1.209 30 10 HDEE C=CCSCCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1296285442 ACMYSOGUCWWEFT-UHFFFAOYSA-N 404.579 1.790 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1 1299992246 KGFDZVAJFKNFRZ-CQSZACIVSA-N 408.466 1.903 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300394488 RVANMYZPQLLRHC-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1300455485 KUYXRROSFKXNKQ-UHFFFAOYSA-N 405.462 1.709 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCCC2(C)C)CC1 1300681602 VNQWZIUCZUITMV-JOCHJYFZSA-N 414.554 1.211 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCOC2)CC1 1300683275 YWDZMBBKUPFFAZ-QGZVFWFLSA-N 409.494 1.107 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1301312745 LCBBZUUBAKQUHN-GASCZTMLSA-N 402.503 1.963 30 10 HDEE C[C@H]1COCCN1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1309153297 FHSFOARAZCLDJZ-JTQLQIEISA-N 406.277 1.459 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1309651626 ZXVFNBBCEOCPCS-OALUTQOASA-N 408.520 1.871 30 10 HDEE CCN(CC)C(=O)CCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1313635009 AAVRBMQRMKSCAN-UHFFFAOYSA-N 410.526 1.828 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1314815457 KMPZAXXFFULCTB-STGLLQLASA-N 411.466 1.272 30 10 HDEE Cn1cc([C@@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C2)cn1 1314897935 BFFCEBSNHHUGGK-LJQANCHMSA-N 421.505 1.943 30 10 HDEE CO[C@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1315142981 HDWPFUVRMFSTQF-HXUWFJFHSA-N 415.519 1.867 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1316208969 IFPJZIOQMKQMEA-CLCXKQKWSA-N 421.523 1.700 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(F)c1 1316210856 RAMCKCRUVXLHQG-YJBOKZPZSA-N 419.457 1.949 30 10 HDEE C=CCO[C@H]1CCN(c2nc(N3CCOCC3)nc(N3CC[C@H](OCC=C)C3)n2)C1 1320035056 VACCNYMXDGHZOM-ROUUACIJSA-N 416.526 1.271 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)C1 1320904074 CSZYDTPIJPURBK-MRXNPFEDSA-N 403.522 1.466 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1c2ccccc2CC[C@H]1C(=O)N1CCN(C)CC1 1357526847 FNURPJPWNZDCFQ-FQEVSTJZSA-N 403.486 1.997 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 1358930635 ZHTFWSZAGOJIMT-SQNIBIBYSA-N 421.567 1.793 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1359008577 SZQHMCQCNNMZJB-OAHLLOKOSA-N 404.515 1.994 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1359010643 VSIAFWVNVVWLCX-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCC)CC1 1359044390 DXBVXOUBPHOKOE-KRWDZBQOSA-N 416.526 1.012 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359226780 MJZXAUAXSHBNBH-QZTJIDSGSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359301439 YSLGPDYGUYFZMH-HZPDHXFCSA-N 421.567 1.499 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCC1 1439557171 XWJOUDBPZTYACE-UHFFFAOYSA-N 403.504 1.215 30 10 HDEE C=CCC1(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCOCC1 1443584484 RTZUVIOMGSSWAJ-UHFFFAOYSA-N 423.315 1.400 30 10 HDEE C#C[C@@](C)(CC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1449783297 FHOZJXOLPMWULC-FQEVSTJZSA-N 419.503 1.687 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(CCCF)CC3)CC2)cc1 1452151193 LGGWATVXXFJHNA-UHFFFAOYSA-N 422.526 1.463 30 10 HDEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1452415551 CDZAFCDHEMLTTF-IJYGLTAASA-N 414.462 1.367 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1 1452936636 QLDOSUNVPGDIIT-UHFFFAOYSA-N 404.423 1.198 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 1453544395 DGVGMZWQVNXNMQ-QFIPXVFZSA-N 415.490 1.970 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1454677722 XKENVCSGAQYMAM-CSODHUTKSA-N 405.495 1.938 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C[C@H](NC(C)=O)c1ccc(Br)cc1 1454921318 CJUOYFZPELDQCQ-HNNXBMFYSA-N 410.268 1.932 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)Cc3nc(C4CCOCC4)n[nH]3)CC2)cc1 1463837912 OHGQZMCRBMGONX-UHFFFAOYSA-N 408.506 1.847 30 10 HDEE CS(=O)(=O)c1c(F)cccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1466873239 AZFXZUNADDIPGP-UHFFFAOYSA-N 403.439 1.850 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)cc2)c1N 1469973026 GSDPPTMHOLOSQI-OAQYLSRUSA-N 416.485 1.823 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3CS(N)(=O)=O)n[nH]2)c1C 1470819318 SXVNYDJNVMPBTP-CQSZACIVSA-N 406.512 1.359 30 10 HDEE COc1cccc2[nH]cc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c12 1471319323 HRVSDKDMMDBQFS-IFXJQAMLSA-N 402.476 1.299 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C3)[C@@H]2C1 1471435137 OAKNAORQZXYBLL-BMFZPTHFSA-N 415.450 1.541 30 10 HDEE Cn1ccc(-c2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cs2)n1 1471864131 GPIATDZLZSLZMY-UHFFFAOYSA-N 416.488 1.010 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nc(C)c(C)[nH]3)CC2)cc1 1471910948 FZUXGRDFTBRYND-UHFFFAOYSA-N 400.504 1.958 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)[C@@H](O)C3)nnc12 1472537743 FXXVWNHLLPQPCQ-CJNGLKHVSA-N 413.503 1.552 30 10 HDEE C#CC1(O)CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1473672136 QHTZEFRDYIHKAB-QGZVFWFLSA-N 419.547 1.648 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1475378988 ANFWTFVUKISYKI-MOPGFXCFSA-N 406.504 1.842 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1476106013 MTDXSVYRLPXZTC-KRWDZBQOSA-N 404.536 1.890 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 1478283037 RHJRKHANXDAOKJ-AWEZNQCLSA-N 408.442 1.756 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N3CCN(CCC#N)CC3)O2)C1 1478996591 JKRKXNUAUIHLHN-MRXNPFEDSA-N 407.515 1.396 30 10 HDEE C[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)O1 1479203291 YIADVJALHHPYML-ZBEGNZNMSA-N 400.414 1.401 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 1479222587 PQJZQLNLEPFHDQ-JQHSSLGASA-N 418.538 1.945 30 10 HDEE CCC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499960691 JWINPDQZQOMPTP-QKKBWIMNSA-N 412.494 1.868 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1507613660 YJVGMLDDTHCBRP-CZIZESTLSA-N 420.429 1.270 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1507617295 SJBBUMCZEWLCQA-AWEZNQCLSA-N 404.492 1.315 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@H]2C)CC1 1507715780 ICSAXLMCGBBXQJ-GOSISDBHSA-N 422.537 1.165 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1507740032 WUIQTKJJQPGVIN-BHIYHBOVSA-N 417.554 1.809 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COC)C1 1507748619 LVQCMCWQGLQKAW-INIZCTEOSA-N 424.534 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(OC)C1CC1 1507764334 LGWGTIYJYYVEIO-NIKGAXFTSA-N 409.556 1.696 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1507848630 MATLHIGAZLFRID-UZLBHIALSA-N 421.498 1.164 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCCC2)n1CCN1CCN(C(C)=O)CC1 1508041403 OKWRWWCHJDZNDA-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1 1508088540 SQOYWVJGCPXDBT-ZWKOTPCHSA-N 424.505 1.327 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1508121335 DDGZMMUUMVOANL-SJORKVTESA-N 424.567 1.778 30 10 HDEE CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1516987249 HFDHUPOWVYKFCC-OALUTQOASA-N 421.546 1.393 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2Cc3ccccc3OC2=O)[C@@H](C#N)C1 1517005480 MTGHKGUGEBDCRB-HNNXBMFYSA-N 400.435 1.972 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C[C@H]1O 1517687275 CMNAOEVFABQPBI-GUDVDZBRSA-N 423.473 1.522 30 10 HDEE COCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1518998855 QJMJACBSYXYJOB-UWJYYQICSA-N 419.526 1.864 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1519050525 XMCWDHNLNHJXQS-UHFFFAOYSA-N 412.538 1.994 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3nccc(C(F)F)n3)C2=O)cc1 1527539111 JSVACIUEXLWWDD-CQSZACIVSA-N 414.372 1.807 30 10 HDEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1F 1528987744 FGBVUKWKWAHUHA-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1534269216 YKDFFTARSPXZGK-ULDLJNOVSA-N 422.507 1.251 30 10 HDEE N#C[C@]12CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@H]1CS(=O)(=O)C2 1538761388 YKCKWKJDSJPPKK-SUMWQHHRSA-N 423.288 1.622 30 10 HDEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CCN1CCCS1(=O)=O 1539147017 ATVKNPGWDWMCMT-SFHVURJKSA-N 401.536 1.925 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1539178017 DKFNARTZMAFBTB-INIZCTEOSA-N 417.535 1.870 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539446969 MIWYWHMEYRLJLT-GOSISDBHSA-N 412.513 1.791 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)C2CC2)CC1 1539477407 LNNGFICRSNVMJG-SFHVURJKSA-N 409.494 1.126 30 10 HDEE CC(C)(C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccc(C#N)cc1 1539613873 KHSUWEWZRHMOFQ-UHFFFAOYSA-N 402.476 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540868760 QKDBGUCQMMFGRL-UHFFFAOYSA-N 424.509 1.502 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccn(CC(F)(F)F)c1=O 1544572704 VPXTWUWUKXZGKS-LBPRGKRZSA-N 406.368 1.423 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OC)C1 1548315951 FIRBMOMFLXMQAU-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE Cn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(N)=O 1548369307 XJPMXDSXOZKCMZ-OAHLLOKOSA-N 406.368 1.127 30 10 HDEE CSC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555864953 QQRSCEBZQDTQPV-JKSUJKDBSA-N 407.540 1.813 30 10 HDEE CCN(CCO)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556312138 FPBXGLHVGJKSNS-IBGZPJMESA-N 416.522 1.823 30 10 HDEE CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1556630252 RLQBPXRMGVKXDY-HIFRSBDPSA-N 407.492 1.353 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CS(=O)(=O)CC)cc2)c1 1557050357 VPXNYRJHBVERIH-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)cc1 1557169413 VBMJBYLSLZYXNC-CTNGQTDRSA-N 411.527 1.673 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 1557240409 KDGQGXNZHHXLJE-SFHVURJKSA-N 409.490 1.850 30 10 HDEE C[C@H](CC(=O)NCc1ccc(CCO)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1558724047 HLSLLGLCDIVEME-CQSZACIVSA-N 401.488 1.355 30 10 HDEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCC[C@H]1C#N 1560060523 PLTJRSGOTYEHBU-WMZOPIPTSA-N 404.536 1.840 30 10 HDEE C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H](C)C(=O)Nc1ncccc1O 1561839949 BWNCWUIISOXTBQ-ZJUUUORDSA-N 410.402 1.879 30 10 HDEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1 1564821036 BLHKWNIYHQHJJB-UHFFFAOYSA-N 423.473 1.823 30 10 HDEE C#CC[C@@H](COC)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1586385676 HKXVVYNTXNYHON-PGRDOPGGSA-N 419.481 1.654 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1588266607 SPKQNFYDPKYYKR-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1588647333 UWONSNUSBNKRDG-SFHVURJKSA-N 423.583 1.142 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccoc2)n1 1588724286 WWDPDCGPNMQKIZ-UHFFFAOYSA-N 420.477 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1588969263 ZDGAMXUAMQFIIT-UYAOXDASSA-N 417.554 1.842 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCCO 1589207852 QZNACWCFDUEKOU-XGHQBKJUSA-N 400.527 1.068 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1593636373 JWPVPGOXLAUSST-GJZGRUSLSA-N 413.544 1.048 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)CC1 1594097726 XPFCBEOPJWABCM-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1594720553 PAAWQYZUQWOSEF-UKRRQHHQSA-N 417.466 1.332 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1594956676 OXYCKPFBVHYKNX-NRFANRHFSA-N 413.526 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1595500680 BDLDVPWXTBUBIT-UHFFFAOYSA-N 415.448 1.506 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595507048 UYFYRSPVAVCKDT-QGZVFWFLSA-N 412.494 1.361 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1595602049 DOPYOUNGVFBXJC-NRFANRHFSA-N 420.558 1.199 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1596483619 CNGRUMPDJABHOZ-QRQCRPRQSA-N 424.505 1.462 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1596530929 GBNBOFIWDLAZNB-PKOBYXMFSA-N 421.505 1.448 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 1596609804 HJJNBVFXUMBEPG-UHFFFAOYSA-N 407.511 1.828 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1598122759 ACOVSADIAQVJFW-NRFANRHFSA-N 409.494 1.291 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)c(=O)c1C#N 1611230493 BKBWITNUMUFNPX-SCRDCRAPSA-N 421.295 1.864 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCOC[C@@H]3CCOC3)C2)C1 1615612485 KEKCJAJGPMRXHV-HRXNXTQESA-N 407.511 1.943 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1619615057 VRJHVCYMTRPEDB-ZWKOTPCHSA-N 400.458 1.906 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOCC1 1620002793 XOHJQXQYESQRBY-NQIIRXRSSA-N 420.558 1.854 30 10 HDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c(C#N)cc1N(C)C 1625391773 HYSFBLMLFCCDCG-UHFFFAOYSA-N 408.528 1.325 30 10 HDEE C[C@@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1CNC(=O)OC(C)(C)C 1625826941 QILMSECBYKYZAN-FXDIGPMBSA-N 420.510 1.912 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1627102894 QNGOAHHTKZFIDP-KRWDZBQOSA-N 422.526 1.326 30 10 HDEE COC[C@]1(C(=O)NCc2cccc(OCC#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1627820323 XFVYOBMIFXLDIC-NRFANRHFSA-N 419.478 1.858 30 10 HDEE CCOC(=O)CCN(Cc1cccnc1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1631169255 YYGPFFILAGSBAD-VXPUYCOJSA-N 400.435 1.280 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1631187058 MFFOGBIYZFLQCH-ROUUACIJSA-N 408.520 1.591 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)CC1 1632624279 QVEZJTOSQMCMMO-UHFFFAOYSA-N 413.909 1.482 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 1633871352 GLNVTPXOKPBSNZ-CQSZACIVSA-N 400.382 1.328 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2cc(Br)ccc2-n2cnnn2)cc1 1634104759 KJHXVVNFSQIUTM-UHFFFAOYSA-N 417.223 1.474 30 10 HDEE C=CCn1c(SCC(=O)N2CC(CO)(CO)C2)nnc1-c1ccc(Cl)cc1 1634311276 FYCXGUCICQCRTA-UHFFFAOYSA-N 408.911 1.690 30 10 HDEE COc1ccc2nc([C@H](C)NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1634655131 NFDWBBYCMLNNKC-NSHDSACASA-N 413.459 1.487 30 10 HDEE N#C[C@@]12CN(C(=O)NCC3(c4c(F)cccc4F)CCC3)C[C@H]1CS(=O)(=O)C2 1636194050 ZOOMEWQRYCJTNV-DJJJIMSYSA-N 409.458 1.966 30 10 HDEE C#CC[C@H](NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C(=O)OC 1638832432 OZXWFLVCUASXEK-AWEZNQCLSA-N 406.485 1.437 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 1640201310 ARJATLZXVPGGIW-UHFFFAOYSA-N 409.309 1.499 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC2(C#N)CCOCC2)c1 1640487483 VKPJHWDUMHNHNB-UHFFFAOYSA-N 415.899 1.315 30 10 HDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1640503611 MLERCLIJEMXUDC-GOSISDBHSA-N 417.443 1.119 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)nn1 1645182211 NEFYWSKPAQHHIZ-HNNXBMFYSA-N 407.430 1.001 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H]2CCOC23CCOCC3)CC1 1648562907 BEWDPWIDZMPDAE-WMZOPIPTSA-N 404.536 1.385 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2nc(-c3c(F)cccc3F)cs2)c(=O)n1CCO 1652167240 OIVKDLKRTDXOBU-UHFFFAOYSA-N 404.398 1.632 30 10 HDEE CS(=O)(=O)[C@@H]1CN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(F)(F)F 1655051362 GJDGPTUSLLZXEF-BZUAXINKSA-N 415.437 1.961 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1661104934 VDFGMSJPXKIIIG-UHFFFAOYSA-N 423.260 1.427 30 10 HDEE C#CC1(O)CN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ccccc4)CC3)cc2)C1 1666874102 RXDXWNCGRHPFBM-UHFFFAOYSA-N 418.497 1.790 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NS(=O)(=O)c1cc(Br)ccc1C#N 1669406483 GFVKICVTUXPCPC-AWEZNQCLSA-N 424.276 1.778 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1672799013 UUNXCZMLZFZIOL-MOPGFXCFSA-N 402.495 1.695 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1682991978 LGFBKDQHDFIRCQ-QZTJIDSGSA-N 400.479 1.961 30 10 HDEE C[C@@H](C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1683573077 RTUXUDNPOXUUIT-COJSNBRMSA-N 414.528 1.258 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1683814990 RJHYSHTWOUIHPK-DLBZAZTESA-N 409.556 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCN(C)C 1689836005 XCNBGWIROLUFLB-INIZCTEOSA-N 419.551 1.385 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1689965814 DKHHPXLSHQTJMD-MRXNPFEDSA-N 407.515 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690000287 XVCGXZCINZGNLH-QZTJIDSGSA-N 417.579 1.853 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690340086 FBSBIRUONCFYAT-LJQANCHMSA-N 417.901 1.851 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1690673539 XEWOUCKOKDNWHJ-UHFFFAOYSA-N 419.489 1.301 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC)C2)C1 1690710904 YNYLASDXLRIDQG-ZWKOTPCHSA-N 402.543 1.524 30 10 HDEE CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1695330058 VHEBODQQEBXPBC-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695440067 DYTSKJHXYCAUSN-UHFFFAOYSA-N 406.450 1.334 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1705485033 BMJLUIHYDYZFKR-HNNXBMFYSA-N 415.461 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(OC)CCOC1 1705486041 VRPBRVFVKADIER-YWZLYKJASA-N 408.466 1.184 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1705562979 OAUFKSIDYLFOFE-KUNJGFBQSA-N 424.548 1.242 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1705564007 JHPHHJCHBPWBAM-HZPDHXFCSA-N 419.576 1.806 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1705571928 LOGOWWHARALMLU-UHFFFAOYSA-N 418.299 1.148 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[S@](=O)CC 1705628337 DEGULWJWJQRRKZ-LDLUVENISA-N 418.519 1.645 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCSC1 1705669863 ZEXQKMWAZSTBPP-VAMGGRTRSA-N 406.552 1.790 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705706256 RKICDFBVYCWOEF-AEFFLSMTSA-N 409.556 1.293 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1705724678 HGKSHSQJWSLTFX-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705728074 UCLKLLXUSMRRPJ-UHFFFAOYSA-N 416.526 1.052 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1705818269 DXEFQWRWFXNLAU-UHFFFAOYSA-N 407.478 1.437 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1705934568 PQUBYNZFROQENW-HXUWFJFHSA-N 420.510 1.993 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1708262527 FDVLNPHZIPABAM-DLBZAZTESA-N 423.521 1.204 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1711387647 CJJHTOMPNGMOHZ-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1712176178 VBHAAASEMLWUAO-KEYYUXOJSA-N 403.414 1.504 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC(=O)N1 1712630500 UJPJAUQYLNOMOT-JZXOWHBKSA-N 402.499 1.411 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1722275764 GDJHTYHULJIRCI-KHYOSLBOSA-N 411.572 1.678 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC2(C1)OCCO2 1722387573 MIAMWEPYAMPAHT-FHWLQOOXSA-N 414.506 1.618 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCc1nccs1 1722418768 BWGSLSXSBDHDRY-UHFFFAOYSA-N 402.524 1.689 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccccc1OC 1722419373 ZAVMKHLQSPDRDZ-UHFFFAOYSA-N 411.506 1.851 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2nc3cc(OC)ccc3n2C)CC1 1722442456 XMEOTRJFKQBNEF-UHFFFAOYSA-N 423.521 1.513 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)nc2)CC1 1722449729 OUWLHIAKRREVEC-UHFFFAOYSA-N 408.506 1.648 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1722679809 MLZVDZNNNAPSDI-UHFFFAOYSA-N 412.556 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1 1722696761 DSXYFCCYCDIYGV-UHFFFAOYSA-N 411.510 1.255 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@H]2C)C1 1722709903 YZVXSGMVCVKDSP-LZJOCLMNSA-N 403.527 1.847 30 10 HDEE Cc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1\N=CC=CC1=O 1726351980 LDTAGQNXVIQQOY-MJWGMMHASA-N 410.482 1.360 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1729836301 HJPBQSNESZXMSW-PBHICJAKSA-N 403.508 1.723 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@@H]1O 1731136453 IOPDLMUQRPXAPI-KDOFPFPSSA-N 420.477 1.177 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1732403677 UGQZOSCUICGDJP-IYWGDAJJSA-N 401.551 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1740532532 HVMOQRVOSZHCBO-CVEARBPZSA-N 410.588 1.468 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1740682563 ADCATPWIINEBRY-UHFFFAOYSA-N 402.405 1.284 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CCOCC2)CC1 1740695183 IALIIAOFWIOETD-UHFFFAOYSA-N 415.567 1.346 30 10 HDEE CC1=CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1742475824 XSOMRMDDTTVTKR-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cn1 1746089681 FXUHXHUITUYIRO-QGZVFWFLSA-N 419.493 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1748667442 ULFXJVIWOVRSMU-AWEZNQCLSA-N 412.494 1.770 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1748766816 ZCVCUPDBEDIQJC-UHFFFAOYSA-N 424.486 1.469 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748824706 RSFZQLLRIQSUGO-FCEWJHQRSA-N 412.556 1.238 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N[C@@H](C)CC)CC1 1748992876 JCVBUKMVBVXMGD-SFHVURJKSA-N 409.538 1.324 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC(F)F 1749053800 LZBQTXOHJSVVOA-MLGOLLRUSA-N 405.471 1.510 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749229686 OAKUXUPEUZZGNQ-CGTJXYLNSA-N 424.567 1.777 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1749427275 OACSENZDEDVTBB-JKSUJKDBSA-N 405.528 1.579 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749627583 RWXZZCSVSXLCCL-UHOSZYNNSA-N 402.543 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCC[C@H]2C)C1 1749713089 OJFSFQSQEVJZFR-VIPLHTEESA-N 424.567 1.513 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1749760218 FWYPJMRRCGQYJK-CALCHBBNSA-N 406.556 1.909 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N(C)C)CCSC1 1749831304 XUTRHJZWGPKLFE-XLIONFOSSA-N 422.599 1.976 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1751281202 DLVPICOURBPREQ-FVJLSDCUSA-N 410.478 1.058 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1760163992 HEHLIJCDAYYEEI-QGZVFWFLSA-N 419.551 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@@H]1CO 1760218720 LVBZHDCCUZSMCC-NHCUHLMSSA-N 413.566 1.872 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(C)C)CC1 1760265931 MEVYURSSNCNTRO-JOCHJYFZSA-N 417.554 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1760294955 KCTWOTIGWWTJOS-GQIGUUNPSA-N 406.552 1.987 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760440530 LUBIFESYZRSCNN-UZLBHIALSA-N 424.567 1.921 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760449285 GCGDVAWCPSSVPB-UHFFFAOYSA-N 411.510 1.569 30 10 HDEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1760459642 AJISJPRIGLBUEO-FQEVSTJZSA-N 413.503 1.665 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760517813 YTWIGKKFKUNXRY-KBPBESRZSA-N 400.439 1.769 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)C1 1760543442 PDMPJNVTARPCEW-IAGOWNOFSA-N 410.540 1.554 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCOC2)C1 1760547405 KHZADHZTUVTGLC-HRAATJIYSA-N 418.469 1.929 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1761359885 BUCFLATTWHKQHJ-HZPDHXFCSA-N 406.498 1.876 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)o1 1761760832 VLOROJBATWJPIJ-UHFFFAOYSA-N 416.463 1.441 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1767374375 LDXYOORIIGWZNY-BXTJHSDWSA-N 404.515 1.583 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCC(C#N)CC1 1768286844 CWLRQBBCEXVVSB-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1769202427 XXMYTJRLPFWADO-GOSISDBHSA-N 412.494 1.442 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)c1nccs1 1770052737 UQCRNXYKIVCLQP-KFWWJZLASA-N 406.512 1.991 30 10 HDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1771344287 DQAGHJVOKDTFAC-KRWDZBQOSA-N 415.519 1.745 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)OC[C@H]3OCC(=O)NC3(C)C)n[nH]2)c1C 1849761679 NFSYKEIHQOYSFR-MRXNPFEDSA-N 401.467 1.917 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1850004086 GLUBUOJROUGCPB-QGZVFWFLSA-N 422.526 1.578 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cnc21 1852699499 RMUWTWZRFKHYRJ-UHFFFAOYSA-N 402.458 1.524 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cn1 1853334369 BXYRSPWXWJFFTR-UHFFFAOYSA-N 412.471 1.807 30 10 HDEE C[C@H](C(=O)N1CCCCC1)N(Cc1cnnn1C)C(=O)c1ccccc1OCC#N 1853590815 NQMWRKSAGQSFLC-MRXNPFEDSA-N 410.478 1.761 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1853756032 MLTFOEOEJRRXBB-OALUTQOASA-N 417.531 1.516 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cn2nc(C)cc2C)C1=O 1854100139 NKPYQYNOJJWQNE-MSOLQXFVSA-N 401.511 1.126 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1c(F)cccc1F 1854625126 MUZCFOJUYBMQAO-LLVKDONJSA-N 420.397 1.293 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)OC1=O 1854649930 CZKMZFIRKCBFGX-MRXNPFEDSA-N 409.439 1.629 30 10 HDEE C[C@H]1CN([C@H](C)CCC#N)c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C1=O 1854738480 UWOACTVPJJEDGG-LSDHHAIUSA-N 418.519 1.586 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](C2CCN(CCCC#N)CC2)CC1=O 1855010798 RMAHYCUAZZPLLA-ZWKOTPCHSA-N 424.567 1.191 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1855083459 PICGTROOHLHDDS-QZTJIDSGSA-N 401.511 1.736 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855574067 KRTJABLFJBWFMA-IRXDYDNUSA-N 416.547 1.691 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(-n3cnnn3)c2)CCN1Cc1ccc(C#N)cc1 1855636679 SDZPWPYTEXRHNC-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H](F)CC3CCC3)C2)CC1 1855840407 XAASPKHCHIRZHC-HKUYNNGSSA-N 413.497 1.979 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1C[C@@H](C2CCN(CCC#N)CC2)CC1=O 1856146387 MZTPJVKFVQOCPN-INIZCTEOSA-N 407.478 1.491 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC4CC(=O)C4)C(=O)C3)C2)s1 1856292558 YJESDTUKVOZCKA-HNNXBMFYSA-N 400.504 1.234 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)C1 1856387009 UKDXLWAGYCWXGP-AAEUAGOBSA-N 414.359 1.682 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccc(F)c(F)c3)C2)C1 1856410306 CIMQLCFYAXWLHX-ZDUSSCGKSA-N 412.396 1.983 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4ncccn4)C3)C2=O)cc1 1856413415 HAPROICJFVSWEH-MJGOQNOKSA-N 405.458 1.880 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C1(C)C 1856767798 QAPWEBZWBLYLBW-JKSUJKDBSA-N 424.567 1.332 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@H]1CCN(C)C1=O 1857080760 PFYFQTSQCIIYCI-HKUYNNGSSA-N 415.538 1.870 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)CCc3ccc(F)cc3F)C(=O)C2)C1 1857218584 BHTNJPXDNAANOM-SFHVURJKSA-N 404.461 1.946 30 10 HDEE Cn1cc(CN2CCC([C@@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)nn1 1857226813 KVLGRBSIIHJXTR-LJQANCHMSA-N 406.490 1.517 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCOC3)C2)CC1 1857248875 CTKISJKHESOVHC-MJGOQNOKSA-N 412.490 1.456 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3=O)c2c1 1857387047 BCGFUNRHJZMMSH-UHFFFAOYSA-N 404.426 1.646 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@@](F)(C(=O)N(C)C)C3)CCC2=O)cc1C#N 1857418707 RNSKSCDCQIRVLJ-AOMKIAJQSA-N 414.481 1.748 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@](F)(C(=O)N(C)C)C3)CCC2=O)cc1C#N 1857418709 RNSKSCDCQIRVLJ-OPAMFIHVSA-N 414.481 1.748 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1857485820 RTFPHNYTVDFLHC-MSOLQXFVSA-N 423.510 1.614 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2=O)cc1 1857502094 QASMDEGUVBNERB-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCC(C)CC1 1870542019 LZPSYPOUYALXNA-IBGZPJMESA-N 403.523 1.940 30 10 HDEE Cc1nc(C2=C(N)N(c3ccc4c(c3)OCCO4)CC2=O)sc1C(=O)N(C)C 1873920419 NMUNDZDBXRUDFQ-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)NCC#CCN1CCCCCC1 1889340775 XHQSKQSYOCJDMR-UHFFFAOYSA-N 412.465 1.989 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1925825529 UZJYTLCNYQJNGH-LSDHHAIUSA-N 403.545 1.852 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2[nH][nH]cc2C#N)CCN(Cc2ccccc2)C1 1985196936 WJRILUBUOOCKKY-NRFANRHFSA-N 410.478 1.811 30 10 HDEE C=C(CNC(=O)CN1CC(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991972019 ZONXSZYITRDQIX-UHFFFAOYSA-N 409.336 1.747 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCC1 2054408618 TXXPTDKFWFIWEV-KRWDZBQOSA-N 407.492 1.637 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2059528635 IIWPLIFIZMTQJC-HUUCEWRRSA-N 411.296 1.995 30 10 HDEE COCCn1cc([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2COS(C)(=O)=O)cn1 2060443977 YUVFVZUMOKBTIF-GDBMZVCRSA-N 417.528 1.846 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCOCC1 2174787475 UNTRCBCXDTWJCS-AWEZNQCLSA-N 402.517 1.130 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181132969 MSNNLDDZSHXPQP-CYBMUJFWSA-N 417.553 1.914 30 10 HDEE COC(=O)[C@@H](CCNC(=O)C#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243394442 HSGYOSALDOILLR-CYBMUJFWSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CC(O)C1 2243685894 DGDPRVHUSYQDFD-UHFFFAOYSA-N 410.320 1.956 30 10 HDEE COC(=O)C1(NC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247827827 DKEVIJZPDQTLGL-CHWSQXEVSA-N 424.303 1.747 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247857769 ISRZGZAJWZGYAG-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247937197 JNZMRHGRXMLWNH-RYUDHWBXSA-N 421.307 1.683 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@](F)(CN)C3)cc2Cl)OC1(C)C 2282305136 UOASLFMBNPACGT-AZKDTHOKSA-N 424.756 1.808 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CC[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315674 QWVGIJOTLMNDJF-VDBVYFBLSA-N 421.415 1.791 30 10 HDEE COC[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338485 RKDHONMIQXYJTI-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282350477 NNYBKOGDQMJKRM-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE CC[C@@H](C)N1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282414559 UVIAERLZHUSVKG-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC2(N)CCC2)OC1(C)C 2282491724 MESKAJZTFYOCDN-UHFFFAOYSA-N 401.363 1.133 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCCN2CCSC[C@H]12)B1OC(C)(C)C(C)(C)O1 2282501044 RHJNNFUPKWIIBJ-LSDHHAIUSA-N 402.391 1.673 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282824861 FHCSWCUXPOMKRG-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282833351 HDZQUHYGFRSWHD-STQMWFEESA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCN2C)sc1B1OC(C)(C)C(C)(C)O1 2282840608 OQGNMEHGRCIRBR-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE C[C@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846204 GESPZRLZGMDWAQ-RISCZKNCSA-N 400.737 1.668 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cscc1Cl 2282856306 QLKZYZJJHUQYQS-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CN1CCCC[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877470 RXUQESTYPGYKGJ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC([C@@H](F)C(=O)O)C3)c2)OC1(C)C 2284397450 MCSYTMPUBDPLRO-GFCCVEGCSA-N 405.278 1.091 30 10 HDEE C=C(CS(=O)(=O)N[C@@](C)(CC(F)(F)F)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284405546 MEAOWEHSIFZNJH-ZDUSSCGKSA-N 401.212 1.889 30 10 HDEE CCC[C@](C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406202 VGYVLRCDKDJKFM-INIZCTEOSA-N 403.331 1.969 30 10 HDEE CN(C(C)(C)CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415020 VGJNIBAZDLUTIO-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE COc1cccc(C(=O)C=CC(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)c1 2320927440 JBKXRXZKNUILHN-VYDXJSESSA-N 404.444 1.066 30 10 HDEE CC#CCN(CC(=O)O)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2337839937 BDRBZGLVVNZQJP-UTKZUKDTSA-N 402.447 1.739 30 10 HDEE CCCSC[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2362509263 RIMWNOCUXKIZQX-LLVKDONJSA-N 400.331 1.769 30 10 HDEE CCc1csc(C#C[C@H](N)[C@@H](O)c2cn(C)nc2I)n1 2363925322 VUXNEEUMXKWWKR-JQWIXIFHSA-N 402.261 1.456 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc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c1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1 2649592 UYKWMBZZQYPKCP-UHFFFAOYSA-N 402.461 1.705 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2C1=O 3508668 ADYRRCPBQGDRKC-UHFFFAOYSA-N 408.366 1.993 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@H]2c2ccc(OCC)cc2)CC1 52304790 RWAKJCICAPHZAG-NRFANRHFSA-N 414.550 1.669 30 10 HDEE Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(CCC#N)n1 109010969 FSQWXPFMCWWJBE-HNNXBMFYSA-N 420.495 1.749 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C2)c1 238922695 UFRDRAROFWMSHJ-OAHLLOKOSA-N 401.444 1.957 30 10 HDEE N/C(=N/Cc1ccc(N2CCN(CC3CC3)CC2)cc1)NCCCN1CCOCC1 305740043 YDSWJQVSZIAFNZ-UHFFFAOYSA-N 414.598 1.345 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2ccc(Br)cn2)c1=O 312281963 KDVIWODZCKJTLM-UHFFFAOYSA-N 402.046 1.911 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)CC3)cc2)cc1C#N 427115343 UOSYJNWDLMBHSZ-UHFFFAOYSA-N 400.460 1.659 30 10 HDEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 432906745 XSTQBLRQCUGFBJ-UHFFFAOYSA-N 417.516 1.759 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]2C 440156267 CYWUKGGXRFDFSP-ZIAGYGMSSA-N 416.507 1.543 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1C#N 443884389 XIMSMVABINLOBL-PMACEKPBSA-N 424.526 1.744 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(C(=O)N2CCCCC2)CC1 471700816 DLXUWKGXEIIYFK-UHFFFAOYSA-N 406.464 1.880 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(N2CCOCC2)n1 483571079 UTFKWNJEZHYHSY-MRXNPFEDSA-N 422.493 1.000 30 10 HDEE COCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 490295478 CBQUONLBPYNTRR-SJORKVTESA-N 400.435 1.027 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCN1Cc1ccccc1 501516290 SEKLBONVEGUQAH-FQEVSTJZSA-N 424.526 1.551 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508998995 PEMZHTYHYOEHKU-OAHLLOKOSA-N 410.457 1.726 30 10 HDEE COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1ccc(C#N)nc1 509660850 GTXQMXUFFGRCAO-UHFFFAOYSA-N 407.404 1.566 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 518718410 QWWOMOTVBBETKJ-UHFFFAOYSA-N 421.522 1.815 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CC(N)=O 532620489 JIDLGFQFYBFTJI-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cnc2c1c(=O)n(C)c(=O)n2C 532831208 ILEDLFHODOGESB-CYBMUJFWSA-N 416.441 1.571 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc(Cl)c3F)nn2)CC1 537405430 KKVPOMOIVYUMGV-UHFFFAOYSA-N 406.849 1.120 30 10 HDEE N#Cc1c(CCCNC(=O)c2cccc3ncnn23)nn(-c2ccc(F)cc2)c1N 542009236 HLQVCMTYCSVBJQ-UHFFFAOYSA-N 404.409 1.871 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1CCN(C(=O)c2ccccc2)CC1 543758560 RXDVIXXNIXYQBT-UHFFFAOYSA-N 423.521 1.990 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)nc3)CC2)n1 546925655 UPLNBNLWLRWBTH-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc(C#N)cs2)CC3)CC1 555517201 PJKQTWXYHWCYRC-AWEZNQCLSA-N 412.519 1.196 30 10 HDEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ccc(C#N)c(OC)c1 564409847 NFAXLHXMOBKCAS-UHFFFAOYSA-N 409.489 1.344 30 10 HDEE CC1(C#N)CN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1 569178184 XYVFNCBPORTOOF-ZSXPZZPQSA-N 401.466 1.838 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 588021249 JDCXEGBSGQNULA-SFHVURJKSA-N 414.425 1.173 30 10 HDEE C[C@H]1[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC(=O)N1Cc1ccccc1 589928367 INPHGBNIROESSL-PXNSSMCTSA-N 418.501 1.974 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC3CCCCC3)nc2)CC1 604189988 LISWDLFCZWIQAS-UHFFFAOYSA-N 415.538 1.923 30 10 HDEE N#CCCCOc1cccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 726783997 XOMBYYJNFXBQIB-IBGZPJMESA-N 420.494 1.798 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)c1 727418281 XNQZFBXMOKXYMM-UHFFFAOYSA-N 415.474 1.599 30 10 HDEE C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 731629524 DPRRTACSOUJODE-NZSAHSFTSA-N 402.516 1.740 30 10 HDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 733198591 ZMFNNBMNOMHCEM-DZGCQCFKSA-N 411.549 1.886 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 735848381 JSTQUFHSLNSVAB-KNWBJPGPSA-N 413.478 1.228 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743728086 HGMRVAZXVKEGJM-UHFFFAOYSA-N 400.504 1.035 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 743735881 HPMCZHIRLFDJQL-INIZCTEOSA-N 422.938 1.981 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)CC1 745693011 AYKOAKAQMYTKBD-VVFNLNFGSA-N 409.527 1.761 30 10 HDEE N#CCn1c(CN2CCN(Cc3nccn3C(F)F)CC2)nc2ccccc2c1=O 746492334 JBVUHAOLWBSKCZ-UHFFFAOYSA-N 413.432 1.829 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC1 754017916 SPRWAPJKTOVPHX-UHFFFAOYSA-N 403.460 1.593 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 755212790 GLFAUFLZNRPBMH-IRXDYDNUSA-N 421.542 1.194 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCO2)c1 766982490 IDJDYPLOGAGXQR-NSURYPBFSA-N 400.435 1.305 30 10 HDEE C#CCN(C(=O)Nc1ccc(-c2cc(O)nc(C)n2)cc1)[C@@H]1CCS(=O)(=O)C1 773312818 ASUOPOSSKIBQNF-MRXNPFEDSA-N 400.460 1.812 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)c1c(N)cccc1I)C1CC1 780278042 LUJPNUZIFICOJA-OAHLLOKOSA-N 413.215 1.839 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 780885476 FYHRLHJMZKLPDA-MRXNPFEDSA-N 400.416 1.546 30 10 HDEE Cn1nc(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)c(F)c2)c2ccccc2c1=O 786566117 VWLAWTMGNSJVLL-HNNXBMFYSA-N 410.380 1.779 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3ccccc3C)C2=O)n1 788369453 HIMHEVYCPGUAEU-QFIPXVFZSA-N 409.490 1.698 30 10 HDEE C=CC[C@]1(C(=O)NCC2CN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790929534 UTHPHLSHBPTLIE-GOSISDBHSA-N 401.529 1.340 30 10 HDEE C=CCN1CC[C@H](OC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798638553 SSTBYJSKUCQYBA-HRAATJIYSA-N 415.446 1.101 30 10 HDEE C=CCN1CC[C@H](N(C)Cn2ncc(Br)c(Br)c2=O)C1=O 799142825 ATOJBEMSLLNALH-JTQLQIEISA-N 420.105 1.445 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 800053472 ZGAWPPQYSMYTDB-HNNXBMFYSA-N 404.533 1.472 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(C)(C)C 805147428 XOKYEMAVWNCAPV-CYBMUJFWSA-N 410.464 1.986 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 806456513 OXOCAOIMDOODOW-GFCCVEGCSA-N 401.510 1.659 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cn(C)nc1C(F)F 812218699 MHMNACONESLMRR-UHFFFAOYSA-N 410.454 1.836 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1C#N 813688095 GDACJIHUHOVARR-OAHLLOKOSA-N 409.851 1.698 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 816753247 CRXGBRPKBNLAAO-OAHLLOKOSA-N 415.899 1.237 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc3ccccc23)c(=O)n1CCN1CCOCC1 916201419 ODFXRNRQGISDMF-UHFFFAOYSA-N 416.506 1.422 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 1136149961 FAQLCVMYWUTODN-CYBMUJFWSA-N 409.936 1.563 30 10 HDEE C=CCn1c(SCC(=O)NCC(C)(CO)CO)nnc1-c1ccc(Cl)cc1 1141466276 LFYXHXBPJCRJPM-UHFFFAOYSA-N 410.927 1.984 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1158216318 STYYXKDIZCVCKJ-HXUWFJFHSA-N 409.471 1.554 30 10 HDEE C#CCOCCN(C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1160097064 FSHJKRHZWGOZJG-UHFFFAOYSA-N 420.535 1.347 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1CC(F)(F)F 1162357751 DQXNNJLPBMCUGE-NSHDSACASA-N 415.397 1.931 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H]1C 1164262773 WLBCBBKRADIBLG-QKWLYSAMSA-N 404.511 1.897 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1195748287 JJOJZBXAVHEOST-GOSISDBHSA-N 411.462 1.722 30 10 HDEE Cn1cc([C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(F)cc2)cn1 1226692348 FMAIGRXMIMCHRJ-KRWDZBQOSA-N 423.408 1.049 30 10 HDEE C[C@]1(c2cccc(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)c2)NC(=O)NC1=O 1251585721 FWFVWRPZXOUNGB-AUSIDOKSSA-N 417.469 1.898 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1C1CC1 1255510647 WVGZQNCPNHWCPF-FQEVSTJZSA-N 410.522 1.270 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286379602 YEBKAOLSQVUREP-QGZVFWFLSA-N 417.535 1.393 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1286491094 FHXVTEUHTPLPJE-JOCHJYFZSA-N 413.497 1.853 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1286696168 VXTBTKSYBAGLAA-INIZCTEOSA-N 407.482 1.589 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286701528 XNKLIHWVJCTOBE-SFHVURJKSA-N 412.542 1.641 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1287218069 KIDIIRJJUQEAJE-KRWDZBQOSA-N 408.572 1.793 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1288418383 MXXIBPHWZMRSNZ-XUFBONQXSA-N 401.507 1.156 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)COCCO1 1289053033 TWNXKXRXEVJFJR-UWJYYQICSA-N 410.478 1.324 30 10 HDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1291364923 YWEJUPJJISPJLX-NRJQMVOHSA-N 408.506 1.940 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCc1nc(C)no1 1292116100 MJHQYJFQZMOFFP-SUFIHLRJSA-N 402.495 1.930 30 10 HDEE C#CCN1CCCN(C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1293716374 YSANCCPLZNGYPK-MRXNPFEDSA-N 401.511 1.803 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](CN4CCOCC4)C3)CC2=O)cc1Cl 1294090417 DUGFQUBDQYGGGO-NVXWUHKLSA-N 416.909 1.745 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1294911510 AZFZBJBXWUBFHD-UHFFFAOYSA-N 409.450 1.879 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3CCOC[C@H]3C2)C1 1296189639 JLKCLWCZXQPNMN-MRXNPFEDSA-N 405.296 1.300 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C#N)c1 1299301501 HUMJWEITPKEXJF-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 1300396386 QGAUOAOSHINNIA-SJORKVTESA-N 420.506 1.772 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1300777742 BOUSZBPYTCBGSZ-XDNAFOTISA-N 424.567 1.609 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)CC=C 1300818667 AGFGXNMDESPUMM-ABSDTBQOSA-N 422.551 1.595 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1301052692 DBQIPAUOKWBXHC-CABCVRRESA-N 405.430 1.676 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301248997 NPIKTMYZNSEENQ-UHFFFAOYSA-N 422.555 1.726 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCCC2)C1 1301480707 DEEZXTDMFLJVMH-QGZVFWFLSA-N 421.542 1.844 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301499780 FZUUGPDOXNOKGE-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301958285 AFEYORQQSUZWNY-JKSUJKDBSA-N 402.524 1.822 30 10 HDEE CC(C)N(CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1303292251 BASUUDUSVXVOKR-SFHVURJKSA-N 417.558 1.638 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1307893696 VCKHCUKZIARJLL-INIZCTEOSA-N 405.499 1.555 30 10 HDEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)CC1 1308116439 DZDYBDWQIOBVEP-UHFFFAOYSA-N 405.539 1.725 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2c(C)nn3cc(Br)cnc23)nn1 1309605402 OMAPSCQINSCRMD-UHFFFAOYSA-N 412.273 1.056 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)C1 1313291398 KYGFZTFWMOBZIJ-REWPJTCUSA-N 410.518 1.297 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 1321717827 GRCWAERJZJVJPB-CZIZESTLSA-N 411.462 1.573 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1353198360 RMXRINHKGQULMB-ZDUSSCGKSA-N 402.455 1.670 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nnn(-c2ccccc2)c1C(F)F 1354425735 BAWYCWWKXDLRLD-UHFFFAOYSA-N 414.376 1.889 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCC1 1358939806 GDIGJXUJDDFOCS-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cscc1C 1359024275 JYOMDBKQAMVGNP-OAHLLOKOSA-N 408.549 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1ccc2c[nH]nc2c1 1359026586 DJAJWJHYVJDWIY-UHFFFAOYSA-N 421.505 1.606 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OC)c2OC)CC1 1359039225 ADPWZRZGXQIFQS-LJQANCHMSA-N 411.506 1.950 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC(C)C)CC1 1359054675 CXKKWDUPBICELA-UHFFFAOYSA-N 417.583 1.592 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COC)CC1 1359165102 GRHIEBLOJPTZNB-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H](C)C2)C1 1359324870 TZFPAOUYVUYRGT-MOPGFXCFSA-N 416.570 1.914 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)c1 1441766483 OCOBBRXIVUFTBH-UHFFFAOYSA-N 400.460 1.211 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(OC)c2)CC1 1443360009 SGUWPAPVHHJOKW-UHFFFAOYSA-N 408.296 1.355 30 10 HDEE CN(C[C@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1444878176 HALWIIKVPAVRER-CQSZACIVSA-N 405.455 1.069 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cnc(I)c(O)c2)n1 1448860612 RKUCOFBEJRUSFC-UHFFFAOYSA-N 410.215 1.884 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)/C=C\c2ccccc2)CC1 1449420145 BIKQIIAYWYLHAI-ZSOIEALJSA-N 405.476 1.272 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)cc1 1450342445 NZLHIMSORKBWMD-SOGBHIHOSA-N 420.409 1.172 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)cc1 1452757636 PGCFCBIVYNLRCX-RYRKJORJSA-N 424.519 1.628 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nccc(Br)c2O)c1 1454383362 UZHIZQNTYWRLCN-UHFFFAOYSA-N 410.249 1.714 30 10 HDEE N#Cc1cccc(ONC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 1454683282 KFQZXIHAXHZIHK-UHFFFAOYSA-N 410.249 1.709 30 10 HDEE NC(=O)c1cnc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(Cl)c1 1458002111 LAUBUIJCENESDG-UHFFFAOYSA-N 402.794 1.352 30 10 HDEE N#CC1(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)CCSCC1 1459455651 SBFXLQSLORIQJM-UHFFFAOYSA-N 410.517 1.788 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)nn1 1461057045 HQLUZDCNPBPCPV-UHFFFAOYSA-N 417.260 1.699 30 10 HDEE CC1(C)COCCN1CCNS(=O)(=O)c1ccc(Br)c(C#N)c1 1463015343 GCZZCYHJLZVVPJ-UHFFFAOYSA-N 402.314 1.710 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1F 1463790927 GHZKCCQXZJAPLA-HNNXBMFYSA-N 419.434 1.650 30 10 HDEE CCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCS(=O)(=O)C1 1463968475 QNHFSNCCABYIDI-LBPRGKRZSA-N 402.469 1.162 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 1464591939 RKVGXTCSMXAPKU-UHFFFAOYSA-N 405.289 1.973 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@H]2C[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)CC1 1465872796 ZELXJAIURYCGIO-DLBZAZTESA-N 404.511 1.854 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](N4CCOCC4)C3)ccc2c1=O 1468180344 AHOCNPRMVYWXQH-MRXNPFEDSA-N 414.531 1.808 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)n1 1470582729 ZWKZUMOXNDPTJJ-ZDUSSCGKSA-N 405.480 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)/C=C\c2ccccc2C#N)C1 1470669054 FOXTXILJLZHXIO-HJWRWDBZSA-N 410.474 1.909 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)N(CC#N)CCC(=O)OC)cc(C3CC3)nc21 1471249396 CUBVKEHLOXEQCG-UHFFFAOYSA-N 413.434 1.313 30 10 HDEE CC(C)=CC(=O)NCc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1472370705 LMHFKSHZYYFENN-UHFFFAOYSA-N 407.430 1.100 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H](C)C1 1504883937 GMBDLQIYROZNQA-SFHVURJKSA-N 417.558 1.612 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 1504886945 LATHVSGPVXIPIX-GOSISDBHSA-N 419.574 1.522 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CC(=O)N1CCOCC1 1507545396 JOIQEZVBDFQAQB-OAHLLOKOSA-N 401.442 1.313 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCS(C)(=O)=O 1507581481 WBUGOMDYQUOWHS-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1507638342 ZNZATVTWKQZVBV-UHFFFAOYSA-N 419.576 1.997 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1507680695 KUNZCPBWMXESQO-FQEVSTJZSA-N 420.535 1.596 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCC(=O)N(C)C)CC1 1507727844 TYSVEQHSVHTZIY-UHFFFAOYSA-N 424.549 1.523 30 10 HDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1507934588 GZTUZDKLXRDTMG-GOSISDBHSA-N 404.559 1.787 30 10 HDEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507950673 WTGZQMISVKCXAQ-UHFFFAOYSA-N 418.586 1.814 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1507954417 NIXBMVRJEACZJT-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507979327 QQNVOULLBDPJSZ-KRWDZBQOSA-N 412.494 1.405 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1507979811 MGIKKNMTEGTDEV-UHFFFAOYSA-N 422.580 1.265 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](CCC)C1 1508137434 NFLXRGOELITOEC-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1512518997 ZSJCFIYXQWKRPW-ULBJJONDSA-N 400.483 1.748 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1(C)C 1518611265 LFLPMDBQMFHBGQ-MRXNPFEDSA-N 403.508 1.723 30 10 HDEE COCCN1C[C@@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)CC1=O 1519214561 BJQLBTUJYGMJOE-IBGZPJMESA-N 423.521 1.499 30 10 HDEE COCC[C@@](C)(C#N)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1525605835 CCFZWGBNZWJYGW-LIRRHRJNSA-N 406.487 1.899 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1OC 1526649810 YARYKQUUCINUNG-MWGFUINXSA-N 407.488 1.689 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CC1 1535039800 BSVYXQPRVZLHMD-UHFFFAOYSA-N 403.460 1.884 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1539016687 VDGVCBGWCWCIKK-SJLPKXTDSA-N 421.567 1.959 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539195192 PQIOKTCIWZLSKR-GOSISDBHSA-N 424.910 1.130 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539224362 GAJLRAZDWOKGLT-CJNGLKHVSA-N 423.564 1.295 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC)cc1 1539318055 LOJSAWJSECBFDR-IBGZPJMESA-N 418.501 1.490 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1539369525 MFCIMVLQLLYFPW-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOCCC=C)CC1 1539475382 DJONMAZHQBCIRH-UHFFFAOYSA-N 408.506 1.899 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1539491445 QQMLTIXZRODPDV-UHFFFAOYSA-N 409.556 1.618 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1539669766 UEUWLOWEUUWDGI-MRXNPFEDSA-N 409.512 1.655 30 10 HDEE Cc1cnc2c(c1)N(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCN2C 1539843333 AATYYHFQBDNLMU-QGZVFWFLSA-N 418.457 1.950 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539962870 FYOGCUCGUUNNBS-JKSUJKDBSA-N 401.515 1.626 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1540026942 MVVVIVACEPWFEN-KRWDZBQOSA-N 403.458 1.628 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1540857858 SWANVRNYDAXBLG-MSOLQXFVSA-N 420.558 1.369 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCOC[C@H](C2CCC2)C1 1540869985 BTXVWWRLGQDQKR-QZTJIDSGSA-N 403.527 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1540898509 MOBXKVVGCGMLOW-KRWDZBQOSA-N 417.491 1.283 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCOC3CCOCC3)CC2)cc1 1543121668 LPQPDNQIRSFZCO-UHFFFAOYSA-N 421.519 1.367 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1544805930 OIYRNWAFCXSUMH-UHFFFAOYSA-N 403.435 1.511 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1554577218 GJLQFPKZGKKFET-SJLPKXTDSA-N 424.505 1.869 30 10 HDEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 1556372539 HINARMZJVSBBBQ-UHFFFAOYSA-N 412.534 1.619 30 10 HDEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc(C#CCO)c1 1556531847 AYBJQFATCUTPIL-UHFFFAOYSA-N 403.456 1.711 30 10 HDEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1556758433 KLISRGCVHAJKEG-CYBMUJFWSA-N 424.523 1.535 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21)c1cc[nH]n1 1557396017 XVWUVTFXHUZAMM-OFQRWUPVSA-N 420.466 1.274 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1 1558643745 FXXLIKXQORXHJB-IQUTYRLHSA-N 411.524 1.276 30 10 HDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1559938538 MAEXFADLDODSJA-UHFFFAOYSA-N 417.531 1.067 30 10 HDEE CCOC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560054714 HOAORGHZJCJXNW-PMACEKPBSA-N 404.486 1.272 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O 1561406859 NSKSWHQTMWJQLH-UHFFFAOYSA-N 414.549 1.600 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1561868114 KBJXMOYAUNLOKW-CQSZACIVSA-N 408.442 1.903 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1563001386 WGEUPMRWLPJHTL-RYUDHWBXSA-N 408.421 1.870 30 10 HDEE C#CC1(O)CCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 1563620790 CEJWZMPIBNQHCH-UHFFFAOYSA-N 400.523 1.377 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1587927043 QVABCAZKLZYNNI-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC[S@@](=O)CC)CC1 1588858166 YBSCKXPYPLIXQV-LJAQVGFWSA-N 413.591 1.977 30 10 HDEE C=C(Br)Cn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1589459882 FULFIOOALPIGIF-UHFFFAOYSA-N 420.377 1.956 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1593747230 SBFWBVVPKQDVND-OKZBNKHCSA-N 424.567 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1595537696 WJJSZXANOQADNC-FUHWJXTLSA-N 402.543 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1CC 1595760225 LKBKUEWWMAXCMA-HNNXBMFYSA-N 418.523 1.905 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2[N+](=O)[O-])CC1 1598394283 IWUIMAZUQNCGMF-HNNXBMFYSA-N 413.356 1.838 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1616201886 FSOLTQBIDCMMMK-OXQOHEQNSA-N 402.499 1.339 30 10 HDEE COC1CCC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1619482287 AACJPNPDRJARDY-UHFFFAOYSA-N 424.505 1.870 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cccc(C#Cc2cccs2)c1 1625101816 GPXIJYHSTPHWGC-UHFFFAOYSA-N 413.480 1.955 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)cc1 1626982982 CUZUFFYXRZNQMK-MRXNPFEDSA-N 411.458 1.862 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OCC 1627752412 OLLZVJGDKLEZNM-SQNIBIBYSA-N 404.463 1.773 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCOCC3)cn2)c1 1629220952 CYQBTHUDNABFNH-UHFFFAOYSA-N 404.423 1.607 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCS(=O)(=O)C3)C2)C1 1629553420 CGIKWJHMVWCSJI-XNDRKVBMSA-N 411.524 1.324 30 10 HDEE C=CCn1c(SCC(=O)N2CC(O)(C(=O)OC)C2)nnc1-c1ccc(Cl)cc1 1632866328 GVQBIOVVHCHEQL-UHFFFAOYSA-N 422.894 1.623 30 10 HDEE Cn1cc([C@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1633112000 MRHSPCKBPUVVRT-KRSSAMQESA-N 403.483 1.357 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1637990635 VOGWENOODVOLGB-LBPRGKRZSA-N 417.325 1.640 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 1638397748 MTABGRBCYYZEPM-MRXNPFEDSA-N 414.535 1.723 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)C(=O)OC 1639558583 LVYWEVGPXJKRBU-CJNGLKHVSA-N 422.482 1.608 30 10 HDEE C=CCN(CCOC)C(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1639919670 GRHVSNFBLSGNLK-OAHLLOKOSA-N 416.565 1.948 30 10 HDEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1639964913 BVBYYMWSSAKBAK-RTBURBONSA-N 408.433 1.404 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC2(C#N)CCC2)o1 1643011641 HQEQSLHMYWFQGP-CYBMUJFWSA-N 409.464 1.419 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)nc21 1643806786 BGISEGTWFFWKMO-UHFFFAOYSA-N 409.425 1.361 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 1643896959 PRQMEUKQELHUOO-NHYWBVRUSA-N 405.398 1.405 30 10 HDEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)CCOCC1 1644729522 GYXYBUYOTLNPAT-UHFFFAOYSA-N 406.468 1.322 30 10 HDEE COc1cc(Br)c(N)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1645270950 ZVANIOSPJMAORE-VFZGTOFNSA-N 414.281 1.050 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2=O)cc1Cl 1645728313 HRRFBTXPNNJVOJ-PBHICJAKSA-N 417.897 1.021 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)CC2=O)cc1Cl 1645897545 RDIHIZJTJDIBCK-CRAIPNDOSA-N 416.909 1.622 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1648719389 MADLAILWRNSLJB-IERDGZPVSA-N 423.498 1.704 30 10 HDEE Cn1nccc1[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1652542481 MRDWCTVFQNJELA-OOJDGGTISA-N 403.483 1.357 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCc3cnn(C)c3C2)c(=O)c1C#N 1654530726 GYBDHAYYEUNDDF-LLVKDONJSA-N 404.268 1.708 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(O)(COCCO)CC1 1654835090 XXWJROROXIGGAV-INIZCTEOSA-N 407.536 1.713 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCCS(=O)(=O)C[C@H]2c2ccccc2)nc1 1654922470 JXXYONDBJRLKDP-SFHVURJKSA-N 419.528 1.589 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3)C[C@H]2C)c1 1666230035 USRBLPAWZUXEMC-MRXNPFEDSA-N 400.504 1.897 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCCS(=O)(=O)N3CCSCC3)cc2n1 1674575944 ACRYAIVXRXZVKA-UHFFFAOYSA-N 409.537 1.722 30 10 HDEE Cc1cc(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1C 1685028969 UEODSVDRLYJIEQ-UHFFFAOYSA-N 424.484 1.982 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C1 1685776258 OGNZXUYCKQCEHL-ZIAGYGMSSA-N 406.449 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1689850318 ZUOFWBVHOJFTCA-MAUKXSAKSA-N 406.490 1.862 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1689929658 BIRWMFXAFRYLQC-KRWDZBQOSA-N 416.551 1.711 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(F)c1 1690106493 YFYCIJBAWBZNDI-UHFFFAOYSA-N 403.433 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OC)CC1 1690146653 SXTVPLFKHOYJCW-SFHVURJKSA-N 424.505 1.200 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690321866 NMJFCFODSPCMAY-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1690523741 NFRHKJCZBRCPBU-UHFFFAOYSA-N 409.512 1.841 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1690538366 GXXNOMSHTBAVEG-SFTDATJTSA-N 403.527 1.952 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690671068 OKIRZTZIUWOEPH-QGZVFWFLSA-N 418.542 1.517 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)C1 1690706775 KJZKUUMLUWRORH-KRWDZBQOSA-N 403.531 1.822 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1696631115 GBRJLNWFYILJTC-YJBOKZPZSA-N 410.544 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1705477410 NRXBFWFONZYHBO-KGLIPLIRSA-N 423.514 1.737 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1705477687 REFGDCDTYBTKCH-DLBZAZTESA-N 418.567 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCCN1CCC(O)CC1 1705624208 UEDLYZVVCDSNEY-UHFFFAOYSA-N 401.511 1.779 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC 1705678585 HWOSYYWYULGCLI-JXXFODFXSA-N 423.583 1.738 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccccc2CC1 1705897941 XQHJPMUNPCEIJE-KRWDZBQOSA-N 413.522 1.910 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1705911625 MOKHDHXACOFNRX-QZTJIDSGSA-N 424.505 1.557 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1F 1706870649 GCRRTEGNZPCBFV-UGSOOPFHSA-N 424.477 1.712 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCN(C)C1 1712458935 CICZBAYUEZXQAD-IBGZPJMESA-N 404.540 1.363 30 10 HDEE C#CCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722339168 RBAFCIFORJFYGG-CSODHUTKSA-N 401.511 1.447 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1722363108 YZQIYLSXRNYZKC-CQSZACIVSA-N 406.537 1.115 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371274 ILJLNOOPMPKLHV-SJLPKXTDSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCC)C1 1722397053 MFKRXWUGRARNTO-MOPGFXCFSA-N 417.579 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCOC1 1722425960 SNTXGHFVRXZOIH-JOCHJYFZSA-N 409.490 1.588 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC(N)=O 1722455995 ZWSDGEYNBYBJGL-CYBMUJFWSA-N 401.492 1.740 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722458633 PJINEERGSZYYDT-HUUCEWRRSA-N 400.570 1.755 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CC(=O)N1CCOCC1 1722468317 MCPHAYNFELVUPS-JOCHJYFZSA-N 409.490 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCOC1 1722502876 KBXAHANRKRBWRR-QKLQHJQFSA-N 403.527 1.854 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722702915 SZNNGZTUCBHASE-ROUUACIJSA-N 413.526 1.447 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCSC2)CCOC1 1722863162 IDSQRNYTCKFUQM-AYOQOUSVSA-N 409.556 1.783 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCn2ccnc2C)cs1 1725412704 MXQGENFMJHRGAK-QGZVFWFLSA-N 412.523 1.958 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1726637049 FVHTXXZULDZVLL-MRXNPFEDSA-N 404.478 1.770 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1727606380 LZTVUUDAEMBWTN-MRXNPFEDSA-N 408.510 1.348 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccco1 1731187873 BCDWVIOVGCTSHB-UHFFFAOYSA-N 406.450 1.888 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCCOC 1740556209 BVSHMSCVNOAMHU-INIZCTEOSA-N 412.494 1.327 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCO[C@@H]1CCOC1 1740558635 UKGVBFKOPBTGLS-JKSUJKDBSA-N 417.535 1.923 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1740599698 CJWJGKLCQPBAIZ-QFIPXVFZSA-N 411.506 1.658 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1740610398 ZJEXXAULGKXEBS-MRXNPFEDSA-N 401.492 1.256 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740654293 HQHSNAJJKXOGDA-HXUWFJFHSA-N 420.517 1.222 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCC[C@H](C)C1 1740688735 UOWHPNVCFBZYRD-SFHVURJKSA-N 413.570 1.958 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(COC)CCCC2)CC1 1740689274 UHQSCOKZSBNUMC-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CSCCS2)CC1 1740693691 IDXBWMGKMTYMLC-MRXNPFEDSA-N 402.593 1.887 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CC1 1740695896 HAQBAFCVXFTHTO-CQSZACIVSA-N 419.423 1.454 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740885046 VKGLBIXAIWLUQE-LJQANCHMSA-N 420.539 1.286 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)Cc1ccco1 1740959085 ZLFJEFDEBHPYRI-QGZVFWFLSA-N 424.461 1.924 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740963930 BETSRQBNUDCZNX-QAPCUYQASA-N 410.478 1.238 30 10 HDEE CC(C)c1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1741331309 KAFNPVBEXYCEFJ-UHFFFAOYSA-N 406.512 1.775 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748818201 XHEVNNAVBJINTJ-MAUKXSAKSA-N 402.520 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CC(=O)N1CCOCC1 1748894877 IWOXCYQGSLAJQW-UHFFFAOYSA-N 405.502 1.499 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC=CO2)CC1 1748972424 INFDHKFLRQKTEW-KRWDZBQOSA-N 407.478 1.373 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCC(=O)N1CCOCC1 1749071337 CAPPBNWXFOBSOT-JOCHJYFZSA-N 408.506 1.505 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749426455 CALRIKQCGJZZKO-QZTJIDSGSA-N 402.543 1.491 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1749459206 BJIHHGCSPMZKHL-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1749475729 MWEFEXNPTZEWTF-UHFFFAOYSA-N 402.466 1.884 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749512073 GLUCSTKQQRWTTM-RDJZCZTQSA-N 423.477 1.278 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749678154 XTRHTQBKMGVKOY-RHSMWYFYSA-N 401.515 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749732461 WXDHIRMBIISVMF-INIZCTEOSA-N 409.556 1.499 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1750104559 MKLKJWYCBCWLNM-MJGOQNOKSA-N 424.505 1.442 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CC1(CS(C)(=O)=O)CC1 1760245397 BLSBAPGPKDGXJS-UHFFFAOYSA-N 402.520 1.856 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC(C)(C)C)CC1 1760257164 QGBKKWPMDZLXJD-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CCOC)CC1 1760258853 TXBYXIJNTAJWJW-JOCHJYFZSA-N 408.506 1.359 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1760258928 FCUKDKMUBLCXBM-OAQYLSRUSA-N 408.550 1.647 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760352087 ODPVXXLNVFIPSO-ICSRJNTNSA-N 418.586 1.983 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1760461753 FWGCRGDYRCLYAQ-UHFFFAOYSA-N 402.499 1.475 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1760466120 HXYZFICXCKWCNH-UHFFFAOYSA-N 411.553 1.196 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760520476 OWJNCRZRAIVLCS-QGZVFWFLSA-N 411.554 1.896 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1760535205 MWXCLOCTHOUWKZ-IRXDYDNUSA-N 405.543 1.852 30 10 HDEE CC(C)C(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1760846364 GDZJCANCVBSIJO-QGZVFWFLSA-N 414.485 1.899 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1765156807 BHBMESPRKXGJDW-QFPXGYFVSA-N 402.499 1.933 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1766578784 JMAXAKRJOQHGBQ-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C1 1771364200 CGHFSFXGTGHDEF-HNNXBMFYSA-N 400.508 1.917 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)C1 1771528784 DRGJSKHSZUUSJM-QRWLVFNGSA-N 411.441 1.700 30 10 HDEE C#CCCCN(C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 1851550612 RULMNVXJLUMBFH-HXUWFJFHSA-N 401.532 1.681 30 10 HDEE CCOC(=O)[C@H]1CCCN(CCCNC(=O)Cc2cc3c(cc2C#N)OCO3)C1 1851723935 XGQAZBFMSBGIEV-HNNXBMFYSA-N 401.463 1.611 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(OCC(=O)Nc3ccccc3C#N)cc2)CC1 1851790334 SWUTXHVHQYUSLA-UHFFFAOYSA-N 406.442 1.880 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1 1852068079 RKRJUMCGFOVOOO-RTBURBONSA-N 424.501 1.768 30 10 HDEE N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccccc2)c1NC(=O)C1CC(F)(F)C1 1852348087 SKINXQHDAGBFGP-UHFFFAOYSA-N 411.372 1.728 30 10 HDEE Cc1ccc(S(=O)(=O)N=C(NOCC(=O)N2CCCC2)c2cccn2C)c(C)c1 1853473079 DHLWWAUSDYXKHW-UHFFFAOYSA-N 418.519 1.921 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)CC(F)(F)F)C3=O)CC2)CC1 1853729577 ATPFMRSZNJBAHJ-HNNXBMFYSA-N 414.428 1.540 30 10 HDEE C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853949601 HDCPWQJWBNOGGA-YJBOKZPZSA-N 418.519 1.873 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 1855493663 YWWZPFUPWDQSHF-AWEZNQCLSA-N 411.911 1.724 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708113 PMTRTILPINNXIU-JSGCOSHPSA-N 419.450 1.725 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@@H]1C 1856826622 LRUBMQHDDMYNMR-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1COCCO1 1856948160 LCQGRYDXASERIA-HNNXBMFYSA-N 405.882 1.884 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c(OC)cccc2OC)C1)[C@@H]1CCN(C)C1=O 1857265300 UTMBPFKXYHONIF-HZPDHXFCSA-N 415.490 1.411 30 10 HDEE Cc1oncc1C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857378455 VUYAHHVSHQDQOC-MRXNPFEDSA-N 408.462 1.451 30 10 HDEE COc1nn(C)cc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1857496131 WXYFDUPAZNELIW-UHFFFAOYSA-N 409.446 1.246 30 10 HDEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1nnc([C@H]2CCCO2)s1 1858702169 NEITXWUEKZSLEI-GFCCVEGCSA-N 403.420 1.984 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563960 PFICOINUJCCVJG-BMLIUANNSA-N 413.386 1.842 30 10 HDEE COCCN(CCOC)C(=O)CNC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868783062 OVUGBSRYKISDHN-KRWDZBQOSA-N 422.551 1.262 30 10 HDEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(=NCC=C)[nH]1 1871464392 GKRIHJYWAZOUMQ-UHFFFAOYSA-N 424.553 1.726 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC1 1872924912 LEBRUBQXYZRBCI-KRWDZBQOSA-N 418.582 1.685 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(Cl)c1O 1874445057 ROYGESMFKUMKMH-FQDFOOGXSA-N 411.871 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C=O)(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 1881628207 AFLNLPIQDCZTRZ-LHSJRXKWSA-N 402.447 1.860 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(O)nc(O)c1Br 2061910125 UFPUPNBRQOCNFV-QMMMGPOBSA-N 415.244 1.896 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N(CC1CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 2174782769 UPVBSRZDVYPGRW-AWEZNQCLSA-N 401.529 1.824 30 10 HDEE COC[C@]1(CNS(=O)(=O)N2CC[C@@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 2174784233 LWMIRNLFAZIEMV-WMLDXEAASA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC[S@](=O)(=NS(=O)(=O)N2CC[C@H](C#N)C2)C(C)(C)C1 2189355291 GHOUVASVPUTCJC-ZBSNKRKSSA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CCC[C@@H](S(C)(=O)=O)C2)[C@H](C#N)C1 2194928858 PUVQCSIFBIMEAS-IIDMSEBBSA-N 400.545 1.116 30 10 HDEE C[C@@H](NC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2203127014 VSTOKVKKVAVJCF-NSHDSACASA-N 402.347 1.579 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2212757466 IVRRQEHONFEYCK-CYBMUJFWSA-N 407.276 1.138 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1ncc(Br)cc1C#N 2218612885 GSQNMSUWIYULFH-AGIUHOORSA-N 413.272 1.469 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247825469 FFRVQHKMJXEODG-CYBMUJFWSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2247827393 BMWRKMNKBDQUAB-UHFFFAOYSA-N 420.319 1.744 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)COCc1ccccc1 2247857661 IJEZNWXWTXCQTR-OAHLLOKOSA-N 414.315 1.697 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@@H]2CCOC2)n1 2247921015 ICQQGYSSXLLKDX-MRXNPFEDSA-N 412.299 1.546 30 10 HDEE C[C@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267368214 FURGVNOJOLUPDB-APXPCNQMSA-N 405.372 1.189 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](CN)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282312031 QBRYLTVMOBHNHU-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE CCN(C[C@H]1CCCN1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282330713 DAIVGWAGOVBKTR-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N1C 2282331543 OWUWBJHAINDIKA-JSGCOSHPSA-N 400.375 1.808 30 10 HDEE CC1(C)CC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N1 2282337582 MBPNCQZREDSDTJ-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338590 SDWVFXUVSKEGCM-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1csc(=N)[nH]1 2282489215 FSHGZSBAKGYXFQ-SECBINFHSA-N 415.371 1.956 30 10 HDEE CCN[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499923 GWOKGWVKXWKLFK-CQSZACIVSA-N 400.375 1.561 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512176 RJCWKDJDTWNMKV-NDHGSNPTSA-N 421.777 1.685 30 10 HDEE CCc1nc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282524765 GEAJRVOGPXGVBF-RPHGYIDUSA-N 400.375 1.844 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841773 YBBFEFSOHXGQNV-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849336 ZULAMPOYVYPLMN-VIFPVBQESA-N 414.280 1.557 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CC(F)F)C2COC2)OC1(C)C 2282867501 ZWVLGWBWMMNSGL-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3COC[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284417949 RZMQSLQLHSJJFR-WCBMZHEXSA-N 401.677 1.530 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2365213754 WIOGJQAJBXZTKQ-CABCVRRESA-N 402.557 1.816 30 10 HDEE CC[C@](O)(CCNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367809391 MRJMKOYXKFTEJH-BEFAXECRSA-N 402.557 1.601 30 10 HDEE CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)/N=C1\NCCS1 32537588 NMYMRHFXUZPMDI-UHFFFAOYSA-N 419.550 1.396 30 10 HDEE C=CCOc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCCCC)cc1 66228169 QICXBADHEDUJQH-SFHVURJKSA-N 403.479 1.724 30 10 HDEE CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)NC)CC(=O)N2CC(=O)OC)cc1 100213220 SGMCIZFITNXGDU-HGENEIFLSA-N 407.448 1.104 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(CCO)[C@H](C)C1 427393922 DHSIPRMSWJXBPG-MRXNPFEDSA-N 423.473 1.518 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OC)c(OC)c(C)c2OC)CC1 434966029 WHRHZDQEQOLZOM-UHFFFAOYSA-N 406.483 1.473 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccn(CCN2CCOCC2)n1 438317836 DKRIOAWGZNGKSR-UHFFFAOYSA-N 414.466 2.344 30 10 HDEE CN1C(=O)N(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)C(=O)C12CCCCC2 464642963 MSWRSDIDBCKAMA-UHFFFAOYSA-N 407.434 1.674 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1nc(-c2ccncc2)no1 465195545 MKUDATLXMVRVTG-AWEZNQCLSA-N 404.434 1.463 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)c1 468826186 DFSBMTFEBHJUDM-UHFFFAOYSA-N 415.519 1.682 30 10 HDEE COc1cc(C[C@@H](CO)CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc(OC)c1 481018674 FMEURCGRDKYDAW-MRXNPFEDSA-N 422.478 1.985 30 10 HDEE COC[C@@](C)(CCO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483085344 WGDATEASJGFNIX-HXUWFJFHSA-N 402.451 1.926 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2CCS(=O)(=O)c2cccc(C#N)c2)cn1 488170220 VLLVTQGLNLTDNP-QYBDOPJKSA-N 406.533 1.354 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 498971484 ANWMCAHNJFTGSY-PSCUFVCCSA-N 413.522 1.864 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCO[C@@H](CNC(C)=O)C1 508506821 RDQDLSNWWLUAPV-IBGZPJMESA-N 410.522 1.758 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COc2ccccc2)C1 508809182 KIIPUTAUKLUUKW-WBVHZDCISA-N 421.523 1.359 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 508950511 KDEOKROCPZVWTQ-QGZVFWFLSA-N 401.442 1.654 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 519194066 NRJAPBRMLLAMQA-RCCFBDPRSA-N 402.495 1.116 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)cn1 521329098 PRRJWVFYLQSPCO-HNNXBMFYSA-N 407.473 1.707 30 10 HDEE CC(=O)NC[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 541106703 UVPXPWMKRMQNRW-HNNXBMFYSA-N 402.842 1.766 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 541533867 FJZLFUIMPGJHED-IBGZPJMESA-N 409.552 1.985 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)CCCC1 544726747 ZFKGJXZHHYVGCN-UHFFFAOYSA-N 401.492 1.734 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c1 579537694 WTQDOGDQSBAMBI-OAHLLOKOSA-N 423.441 1.082 30 10 HDEE N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 610245868 ZSXLQDJPJIIFST-UHFFFAOYSA-N 423.445 1.084 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 613096247 NZFCCXFQKWHKAS-UHFFFAOYSA-N 410.459 1.618 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 614159928 YDGHXAQMHSVQJX-HDICACEKSA-N 420.579 1.959 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 669807749 QKCRPEBCNGFLJE-UHFFFAOYSA-N 405.524 1.604 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 670232043 VBEFNVSKGGAKKA-HXUWFJFHSA-N 415.519 1.641 30 10 HDEE CN1CCN(CCCNc2ncc([N+](=O)[O-])cc2B2OC(C)(C)C(C)(C)O2)CC1 725439622 WYEWVPWCEOLVPW-UHFFFAOYSA-N 405.308 1.338 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OCC)cc1 727416135 GSKSTPHYTOZXKA-UHFFFAOYSA-N 423.494 1.920 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1ccccc1Br 727448387 IWSSIBYFCIWJLS-SMJHDNPOSA-N 418.334 1.872 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2Nc2ccc(OC)cc2)CC1 728532119 ZFDMXJVUUONMSI-UHFFFAOYSA-N 406.486 1.946 30 10 HDEE C#CCN(C(=O)CSc1nccn1-c1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 729331192 KKLTWMAMOIQDLB-MRXNPFEDSA-N 419.528 1.622 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 729331238 ABGYHWSPVLNHIO-HZPDHXFCSA-N 404.488 1.005 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 731213746 QIFARWIRTWFGRN-ZWKOTPCHSA-N 418.515 1.244 30 10 HDEE Cc1nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccccc1C(C)C 731861480 CLZLYRYWOFZFMF-CZIZESTLSA-N 408.462 1.955 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 739001773 DMBOXDGULFEYLF-UDJKBAMHSA-N 414.437 1.956 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1=O 740205459 WEFQNELYWVEVMP-IBGZPJMESA-N 421.409 1.512 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 741674484 FCEXIZLLUMHFQD-RTBURBONSA-N 402.516 1.812 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@]12CCC(=O)N1CCS2 744572447 GTVMCVRARZGVNF-VLIAUNLRSA-N 417.487 1.939 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)c1 749508360 GKERVSKKPHPWKH-UHFFFAOYSA-N 400.438 1.717 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCOC3)c2=O)cn1 749862384 QMIIMBZSEKWFIX-HNNXBMFYSA-N 414.531 1.281 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 756021723 CKPKFKFBZQNVKJ-FRTIYWTKSA-N 405.405 1.369 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4ccccc4C#N)CC3)C2=O)C(C)(C)O1 764960742 CUGUWYURCKWKOR-QFIPXVFZSA-N 411.506 1.906 30 10 HDEE COC(=O)c1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)o1 767629548 VSNMULQFEQXOTH-LLVKDONJSA-N 406.416 1.657 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)O[C@@H](C(=O)OC)c3ccc(C#N)cc3)ccnc12 769850082 CGQFMIJBHODZPJ-MRXNPFEDSA-N 408.370 1.849 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NS(=O)(=O)CC2(C#N)CCC2)cc1C 771073369 HVJLJYFHJYUFLF-UHFFFAOYSA-N 413.521 1.064 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@H]1CCS(=O)(=O)C1 771273186 QQFILXICWQNDHX-IBGZPJMESA-N 404.536 1.483 30 10 HDEE CCN(C(=O)[C@@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1 777174181 ONHXHUNKBJHOCD-PBHICJAKSA-N 404.488 1.823 30 10 HDEE CC(C)Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)c(=O)n(C)c1=O 781400158 PUIOUAMIZUQZSI-UHFFFAOYSA-N 424.457 1.115 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ccc(S(=O)(=O)N(C)C)cc2[N+](=O)[O-])n1 788558969 BTPUPCYYCMOULV-UHFFFAOYSA-N 421.479 1.328 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)n1 788820225 UQKBNDMTZIPMKL-UHFFFAOYSA-N 416.503 1.127 30 10 HDEE C=CC[C@]1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCCN1C(=O)OC(C)(C)C 790675747 DJGSCPJOMBRRAS-LJQANCHMSA-N 406.487 1.651 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccc(C#N)cc1 797249126 HBZDKSHHSTZTJV-KXBFYZLASA-N 410.430 1.524 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 800129541 ZWBJZPAZWHYYFQ-HUUCEWRRSA-N 404.533 1.328 30 10 HDEE CCn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCOC)CC2 802434710 IKLQCPBRSXHKHZ-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 807194973 QNNDIYFQGSJEML-CVEARBPZSA-N 410.515 1.525 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811020798 DQYQSURTZBCRJG-PLNGDYQASA-N 408.480 1.034 30 10 HDEE COc1ccc(F)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 814746497 XGHGEZOCXPMELP-UHFFFAOYSA-N 407.471 1.611 30 10 HDEE Cc1cccc(-c2noc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n2)c1 915383901 USJUEMJCUNKVJX-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 1116539446 VOZGWOBKCBGILD-IIBYNOLFSA-N 401.463 1.893 30 10 HDEE CN1C[C@@H](CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1133637734 IUFIQMQUERTGKO-AWEZNQCLSA-N 410.434 1.970 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3nc(C#N)cs3)c2)C[C@@H](C)O1 1134474847 NBEUBFARWPPBFT-BETUJISGSA-N 420.516 1.743 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 1135645712 KEADMKVGBQACFR-XJKSGUPXSA-N 409.508 1.818 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 1136310341 GGWGZUVDNORMEB-UHFFFAOYSA-N 415.494 1.751 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1136392991 ALBBLKFCBVJUSY-OXJNMPFZSA-N 411.568 1.617 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCC)[C@H]2CCS(=O)(=O)C2)c1 1142043458 AABYLLMJZWLEHM-KRWDZBQOSA-N 411.545 1.913 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1)C(=O)OC(C)(C)C 1142943037 ZXGRDZBQRPTICV-UHFFFAOYSA-N 411.462 1.797 30 10 HDEE CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1147044913 MFPXJMWSOVPGIR-OIISXLGYSA-N 409.508 1.093 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(C#N)nc2)CC1 1159434038 VWIUBYBAOGUFHE-OAQYLSRUSA-N 405.502 1.387 30 10 HDEE N#Cc1cn(CC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)CC2)c(=O)nc1O 1163753370 BWZAPCYRPTYPCB-UHFFFAOYSA-N 421.501 1.725 30 10 HDEE COCC1(C2CCC2)CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1165645903 ZDEFLYBFCXGKCL-CQSZACIVSA-N 405.520 1.779 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc2c1OCCO2 1178730005 MRJGZEQEGRDLTC-CQSZACIVSA-N 415.471 1.355 30 10 HDEE C#CCN(C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)[C@@H]1CCS(=O)(=O)C1 1191988091 WKWLWHNCSUQNTP-FUHIMQAGSA-N 412.552 1.525 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1286303787 SPIKOLGSKIYCBS-JYJNAYRXSA-N 417.535 1.779 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1286368446 LEJGJAGNPHJIKU-UHFFFAOYSA-N 418.342 1.388 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C(C)C 1286370151 GWVUBDCDQMPEOM-INIZCTEOSA-N 404.540 1.979 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286393818 SEUWTLONVOFTGF-MRXNPFEDSA-N 403.508 1.510 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCSC1 1286403679 KYWWUBUMGJIJMS-NRFANRHFSA-N 412.515 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1c(C)cccc1C 1286416783 XULKVDSGNRXOSX-UHFFFAOYSA-N 418.501 1.729 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(C(N)=O)CCCC1 1286419367 UNXWATFZHUIJRZ-UHFFFAOYSA-N 412.538 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(CC)CC 1286432073 WWHBCPXWYBPXLJ-ZWKOTPCHSA-N 405.568 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1286432298 DRCJQSFUAQQIOP-HSZRJFAPSA-N 419.533 1.614 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1286478609 GWVJFKOZOAPBCD-UHFFFAOYSA-N 407.584 1.589 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286568823 YNJZTDVZEQROQT-QKLQHJQFSA-N 403.527 1.997 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)CC1 1286664624 ZGPXXPMGFJGRKE-INIZCTEOSA-N 409.556 1.814 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1296663065 HGRRDEWJYJPLEK-XJKSGUPXSA-N 419.404 1.585 30 10 HDEE CC(=O)N[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1299649134 OMNGOBOCPKFLJC-OAHLLOKOSA-N 406.508 1.023 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1300281834 DMYNTPCELBHIIH-MGPUTAFESA-N 418.519 1.612 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1300340156 VHFDWTMXAUEXRO-SJORKVTESA-N 408.572 1.366 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300358408 SMBSKOWFJWHWRL-UHFFFAOYSA-N 410.482 1.003 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1C 1300459452 SSCDXDWDDUDBDT-UHFFFAOYSA-N 405.510 1.612 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCC)C1 1300557230 RDHNDOHZFMTBOE-MSOLQXFVSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1300574546 CLUKEKROIOYGOO-UHFFFAOYSA-N 424.530 1.829 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@H](C)C1 1300579359 UJYBJRFHQVHGCF-CEXWTWQISA-N 418.563 1.848 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1300671073 BGQWYGPWTZZPED-HOTGVXAUSA-N 410.540 1.081 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1 1300779713 FFIGCMQSTDUDKU-AUUYWEPGSA-N 418.523 1.332 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@H](C)[C@@H]1C 1301479110 TZZPDGNVZWHCRT-UONOGXRCSA-N 408.572 1.829 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCO1 1301773380 ABXFPHWCYMDPHM-RBUKOAKNSA-N 424.505 1.933 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1302426718 COGCCQWLIJLYMC-GOSISDBHSA-N 418.498 1.673 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1302844328 CZNPOMFPVXQURX-YBOAYWMSSA-N 424.505 1.855 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2nccc(C(F)F)n2)c1 1302981993 CPJNUFLAKRSKND-AWEZNQCLSA-N 424.415 1.904 30 10 HDEE CNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CC#N)CC1 1315047595 FFWMMCXVGCSNDB-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1315047875 JQEHJICKGYNPEH-SFHVURJKSA-N 423.521 1.694 30 10 HDEE C#CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1358936198 GKTPENMMLDWVSL-QFBILLFUSA-N 410.540 1.357 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](OC)C2CC2)CC1 1359044955 SFGSEXWJFDJMIM-ROUUACIJSA-N 401.511 1.173 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1359239514 QBMBBGGZDPQBMM-LLVKDONJSA-N 410.404 1.772 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1359346200 FHCSMAMRVORMBZ-AWEZNQCLSA-N 406.556 1.968 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1360369350 HXKRFWQBZIUMBR-TZMCWYRMSA-N 423.922 1.989 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N(CCC#N)CCN2CCOCC2)CC1 1442495256 AHKDSFRTNMJJED-UHFFFAOYSA-N 423.558 1.050 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CO)C(=O)OCc3ccccc3)n[nH]2)c1C 1447220493 MWQWAIHNOQASOK-IBGZPJMESA-N 423.473 1.910 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2c(F)cccc2F)cc1F 1448188634 RTXZMSTYBHFXAE-UHFFFAOYSA-N 401.341 1.709 30 10 HDEE Cc1c(C(=O)NCc2ccnc(C#N)c2)cc(Br)cc1S(N)(=O)=O 1448863040 ICZMAQZDKYMEMX-UHFFFAOYSA-N 409.265 1.602 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCCCCC)cc2)CC1 1455114191 AZLAYXJCICKIJC-UHFFFAOYSA-N 407.536 1.871 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cnc(-c3ccccc3)cc2=O)n1 1459760077 UOPQZFODFVTFAP-UHFFFAOYSA-N 405.458 1.415 30 10 HDEE COc1ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc1S(=O)(=O)Cc1cc(C)no1 1459877745 AAYVKXIZJXWASF-IBGZPJMESA-N 420.491 1.539 30 10 HDEE CC(=O)CCc1ccc(OCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1463162534 BWEFXSOKOGSFAN-FXAWDEMLSA-N 404.488 1.374 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1)C(=O)OC(C)(C)C 1464033504 XAOQPOJBISWKNW-GOSISDBHSA-N 420.554 1.402 30 10 HDEE C[C@](C#N)(NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 1465226074 UWGDOIVCAPMRJU-FUHWJXTLSA-N 413.927 1.958 30 10 HDEE Cc1ccc(C2=NO[C@H](CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cc1C 1469930320 SSIHQCIWISBKRA-KRWDZBQOSA-N 422.445 1.197 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C 1470538219 WFJOPTJGOPDOJU-IAOVAPTHSA-N 412.446 1.421 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)cc(C)c2Br)CC1 1471450897 LFTPKNSZLYXOTE-UHFFFAOYSA-N 414.325 1.291 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1475153401 VFFUJBYIMNITAR-OKZBNKHCSA-N 412.508 1.126 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1476011287 OZQKRQXAPUHVAC-USCXLKSCSA-N 406.508 1.785 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(C)cc3)c2C)CC1 1476825432 HEYKJRUMHWSBTM-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)c1ccccc1 1492830258 IBZAASYHAVWFRS-UHFFFAOYSA-N 424.486 1.595 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1504530096 FXFGSTMLMXSOGK-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1507518093 KQEHSPMLOBZYJH-AVRDEDQJSA-N 418.586 1.414 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCc2cccnc21 1507656009 BMQJNYOSTWNQCO-LJQANCHMSA-N 402.502 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(N)=O)c2)CC1 1507731362 GRJFEBFVJZOMJW-LJQANCHMSA-N 408.506 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)C(C)C)CC1 1507740727 DTUZVZFUWVHBKB-DYESRHJHSA-N 403.527 1.502 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CC(=O)NC)CC1 1507756682 PZTYYXJGUPCRMY-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C(C)=O)CC2)CC1 1507878637 CEEZXKDSSORWEL-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](COC)C1 1508088664 UORRRCIWYTWZQA-AWEZNQCLSA-N 423.477 1.369 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1515320209 LXDIFILCVNLOOF-KNBMTAEXSA-N 404.515 1.610 30 10 HDEE CN(CCc1cnccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1517275927 JSXHDUKIWRGOJH-UHFFFAOYSA-N 405.462 1.723 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCOCCCO)C1 1521069269 HLYDZVLDKZCTDN-IBGZPJMESA-N 407.421 1.837 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(C#N)ccc2F)cc1 1528040078 ADXLLMVUAZOTDI-UHFFFAOYSA-N 404.423 1.915 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CCC2=O)cn1 1530967318 WVKFXFNVQRTDSD-MOPGFXCFSA-N 406.490 1.400 30 10 HDEE COCCNC(=O)C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1532348061 SILNOTFTTXQQEC-UHFFFAOYSA-N 424.295 1.701 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1538975582 AGQSOCIKCQCNAM-WAOWUJCRSA-N 405.543 1.497 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1539031770 PCLKZRUVXKHXLP-HUUCEWRRSA-N 406.483 1.889 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1539178399 HQBOJYRZBQQOCQ-FQEVSTJZSA-N 424.549 1.886 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1539361909 IULWSFZGHAIXPC-UHFFFAOYSA-N 407.478 1.975 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1539722175 NCRUHQPMAPETPR-JQHSSLGASA-N 402.499 1.890 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1539733719 MLCAJVWMRVOKRU-RVKKMQEKSA-N 400.545 1.764 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1540020687 VSYPZKKGVZORMK-OAHLLOKOSA-N 419.486 1.278 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1540873803 KIYHYDONVZSLNH-HXUWFJFHSA-N 424.549 1.388 30 10 HDEE Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543241197 JEMKKEUBQSMYKC-OQLSDQBISA-N 422.489 1.908 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1544079944 ZTPONTPVTLOTFU-CQSZACIVSA-N 408.480 1.207 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1545928597 FBPKLLGMOPTJRZ-JKSUJKDBSA-N 404.515 1.740 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCCC(N)=O)C(=O)OC(C)(C)C 1546320071 HKRCYXYZTFDUMB-UHFFFAOYSA-N 402.451 1.101 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2ccncn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367639 BSVWNDDRDFWMQZ-INIZCTEOSA-N 418.379 1.444 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCOCC(F)F)cc1 1555988589 IBDFEFYYKOZRMY-OAHLLOKOSA-N 404.421 1.800 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCSC2)cc1 1555989196 BTMPSEOAVAILKY-HNNXBMFYSA-N 403.533 1.805 30 10 HDEE Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(C)(C)CO 1557225417 ZEDPOQDIWVQLIP-KRWDZBQOSA-N 418.519 1.987 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 1558061042 ZEUCVTNPCAOKEO-ROUUACIJSA-N 414.311 1.414 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CCCN1C(=O)OC(C)(C)C 1558701688 COJXHHOSLAAONX-JBYIUTFZSA-N 405.539 1.837 30 10 HDEE Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)N1CCN(C(=O)CC#N)CC1 1566317759 IDOPYEWOXCAEHF-UHFFFAOYSA-N 421.413 1.191 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1583087467 IRXUYDSTQUQXSZ-KKSFZXQISA-N 415.494 1.362 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1584771428 WUQUITZEAXUVNG-LJQANCHMSA-N 404.532 1.873 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1584771545 XYQGOPUTESRCGC-LJQANCHMSA-N 401.507 1.874 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1585477103 XTUJTHOLBADGKN-UHFFFAOYSA-N 420.487 1.026 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1586079798 ZYUHTOZFXCLESV-INIZCTEOSA-N 402.451 1.637 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1587626212 IXIOKPZOFGUQEE-CYBMUJFWSA-N 414.491 1.487 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1587758508 AYAUEBMKOHZYLF-FIKGOQFSSA-N 401.511 1.807 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1587803796 NQUNERCNLVJEHB-HNNXBMFYSA-N 415.498 1.914 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1587883852 NGCYITARFDUSDB-UHFFFAOYSA-N 401.492 1.623 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588053087 AYBLEKVPYVCWIR-JYJNAYRXSA-N 412.581 1.898 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1588055037 RSTJKNSFQPCBSO-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)Cc1ccccc1 1588121072 YSVODUZTSGHDOS-UHFFFAOYSA-N 421.526 1.971 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1588387887 WJJGJEUPBBLOCL-GOSISDBHSA-N 417.535 1.427 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(C)CCCO2)CC1 1588955182 PYWZAGSGOJHWQV-QHCPKHFHSA-N 422.533 1.799 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1593625321 PMAQQKBMBIXGIQ-LJQANCHMSA-N 415.586 1.800 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cn(C3COC3)nn2)CC1 1594192755 LASCWWMXLVVLDQ-OAHLLOKOSA-N 417.514 1.616 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1594961858 GGMCKLDNZNNJQN-ZIAGYGMSSA-N 419.498 1.669 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1595218023 FFOFZHBGBYNUQB-QGZVFWFLSA-N 416.551 1.868 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4nc(CCC)cc(=O)n4[nH]3)cc2C1=O 1595391691 DNBBDKPCZCDNSA-UHFFFAOYSA-N 406.402 1.404 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2CCCC[C@H]2C1 1595496579 AKHRFKXSGVYZMJ-SFHVURJKSA-N 410.522 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595797763 IILUHFKWZJDUCC-QWHCGFSZSA-N 424.445 1.150 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595866137 ADLAPKUFTSUVRY-HNNXBMFYSA-N 422.580 1.729 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1597365676 XMKRBALMRGSRJL-CQSZACIVSA-N 401.529 1.340 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1610417774 XADFTJQIRZXSPS-RTWAWAEBSA-N 419.526 1.864 30 10 HDEE COC[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1617506610 VFXAEMVLNMLQGC-SFHVURJKSA-N 407.536 1.994 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1620349131 GIYQPJQIDFZEFN-ROUUACIJSA-N 410.478 1.324 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@@H](CO)C1 1620573166 CMRHRSWLJNQRKW-QZTJIDSGSA-N 405.495 1.406 30 10 HDEE N#Cc1cc(NC(=O)[C@H]2COCCN2CC(F)(F)F)ccc1N1CCC(O)CC1 1622843813 VHEYPVFTPGCODZ-QGZVFWFLSA-N 412.412 1.721 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 1622949541 WXWZCULWCXEIIL-UHFFFAOYSA-N 422.551 1.558 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nnc(N)s2)c1 1626103927 GHLRRFIWYQMPFE-HMAPJEAMSA-N 422.536 1.895 30 10 HDEE C#CC[C@@H](NC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626188363 XACSVZQDEBILOA-QVKFZJNVSA-N 408.495 1.600 30 10 HDEE C=CCOC[C@H](NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1626208530 PCIAHQQAIFYSQC-IFXJQAMLSA-N 411.455 1.003 30 10 HDEE CN(C)C(=O)[C@H]1CSCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1626241498 SGOOPWUINODPOF-OAHLLOKOSA-N 423.336 1.747 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1626995692 GFQCPRJNRXQRRT-UHFFFAOYSA-N 413.522 1.726 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1627067654 ADVMGIKJONGXDK-OAHLLOKOSA-N 406.433 1.392 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1632219054 RHRUPKXZGRACSF-SFHVURJKSA-N 406.402 1.912 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccncc1)C(=O)OC 1632903870 MMFJIFFTAVTTBC-IAGOWNOFSA-N 403.479 1.836 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1cc(C)cc(C)c1)c1cc[nH]n1 1633608273 UEMQKABEKJEICA-QGZVFWFLSA-N 416.434 1.341 30 10 HDEE CC(C)(C)OC(=O)N1CCC=C(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1636512305 AUUXXNMNFDKBFY-HNAYVOBHSA-N 409.508 1.340 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncc(C(F)(F)F)cn1 1637063426 PJNZCIVBXLZXJA-JTQLQIEISA-N 413.381 1.350 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NC3CCN(CC#N)CC3)=NO2)C1 1638310130 FRXDLRSJLVUQIG-HXUWFJFHSA-N 405.499 1.637 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1640585772 ZWCAGALQVHWKDT-GFCCVEGCSA-N 405.314 1.756 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCCCCNC(=O)CC2)s1 1643354989 BPAFFCQTSRQAHR-UHFFFAOYSA-N 413.565 1.664 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NCc3ccsc3)cc2)CC1 1643372429 KWFDKHHFIYEGPP-UHFFFAOYSA-N 418.544 1.586 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 1643372517 OXEADLPLDIZSRH-INIZCTEOSA-N 401.488 1.219 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(c4nn[nH]n4)CC3)C2)C1 1644045166 GUXCLTXYRJVOMJ-CHWWFWEZSA-N 415.498 1.693 30 10 HDEE CONC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 1644407652 OMIKQKMHRMJYOB-UHFFFAOYSA-N 413.478 1.946 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1647951481 FILDSNJRAMBODN-AWEZNQCLSA-N 404.517 1.635 30 10 HDEE N#Cc1c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)sc2c1CCCCC2 1648446346 HNZPEXOAAYNCBI-FQEVSTJZSA-N 404.536 1.206 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1650765818 KPHLMEIYJFVCNU-BFWGRDPESA-N 423.413 1.246 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccc(F)cc3)noc2C)CC1 1650846319 RFURDENWHCMOHK-UHFFFAOYSA-N 406.439 1.015 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)c2cccc(C#CCO)c2)cc1 1652187918 NVJUHZVSBBYNLD-UHFFFAOYSA-N 406.485 1.699 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(NC(=O)c3cc(C)on3)CC2)c1 1652729068 BWBGKLIZRHPQAQ-UHFFFAOYSA-N 409.446 1.507 30 10 HDEE CS(=O)(=O)N1CC(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1660442615 VSTQQVOPVXSBBF-RKDXNWHRSA-N 416.334 1.981 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc4c3OC(F)(F)O4)CC2)nc1 1661560174 FWVDOIGCCAZMMQ-UHFFFAOYSA-N 408.386 1.786 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H](C)C(=O)OC 1665507570 VAGPQOIVOPHELD-AWEZNQCLSA-N 402.513 1.460 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 1667209105 UDBHRXJVWRDYEH-OAQYLSRUSA-N 409.511 1.780 30 10 HDEE Cc1cccc([C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccn2)c1 1671238900 CDNCXALENASMTK-LJQANCHMSA-N 416.441 1.880 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1674887512 HJZFTXAUSMKIPJ-MOPGFXCFSA-N 419.547 1.981 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C1CC1 1681226412 HHRBJEFETUFPCT-QKPAOTATSA-N 406.483 1.586 30 10 HDEE Cc1cc(Br)c(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1683986870 QPLXSEKZHOAZEJ-UHFFFAOYSA-N 424.280 1.720 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1685153298 OFDOKPACQVVTCY-IAGOWNOFSA-N 407.511 1.836 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)C1CCN(C)CC1 1687854369 CPFQJZNIAWMKRL-OAHLLOKOSA-N 407.536 1.899 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1689847392 YSIJSVZDGQVVAK-GMYLUUGSSA-N 422.580 1.465 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCC1 1690009089 VXSPKXGXFDWLRD-UHFFFAOYSA-N 402.462 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCCCC1 1690025059 CBDNGAUFVXXSDF-UHFFFAOYSA-N 407.522 1.615 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCNC(=O)Cc1cccc(F)c1 1690072722 RCEPKIVZCSFMBZ-UHFFFAOYSA-N 407.453 1.693 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(C)nn(C)c2C)CC1 1690111653 GXPGKVBCQFDHRP-GOSISDBHSA-N 415.542 1.156 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC2(O)CCOCC2)CC1 1690115974 XVXJCQYPILFYHW-UHFFFAOYSA-N 415.925 1.895 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCNC(C)=O)CC1 1690130153 ASBVLOUWDHLKIL-UHFFFAOYSA-N 410.522 1.181 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676695 ATUFFMHMUDQOEO-DYESRHJHSA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](COC)C1 1690720535 LJZZWPNBKCMWOO-OAHLLOKOSA-N 424.498 1.537 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1690733972 SADCOWOTYLTKOZ-ILXRZTDVSA-N 417.601 1.811 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1692542190 FBSPXHUNHDFAAV-FUHWJXTLSA-N 411.510 1.670 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC(F)F)c1 1705588786 DXYVATDJRJBMDG-UHFFFAOYSA-N 416.432 1.924 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1705661745 ILNFPGDMTJTSIM-HNNXBMFYSA-N 410.565 1.163 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705700332 RYXQDSKKOPQRAG-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1706074199 XBMPJGGCYHPPMB-HZSPNIEDSA-N 402.455 1.142 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711401203 KNMRZZZNWPCUEY-MOPGFXCFSA-N 424.505 1.758 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCN1C1CC1 1712567964 YESUBPOMXSTDFL-QRQLOZEOSA-N 418.542 1.748 30 10 HDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1712713695 GOXIMPXWIJHBSX-XBBWARJSSA-N 412.519 1.430 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CCO1 1712883989 DHVDYPDTNSPLAN-UKRRQHHQSA-N 423.445 1.235 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722323138 RGKKZRXJMMACGA-DYESRHJHSA-N 416.526 1.290 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1722532260 GWTIAJDIOPKPLF-KRWDZBQOSA-N 404.515 1.174 30 10 HDEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722603990 RJPXDEJXGRCYJC-JKSUJKDBSA-N 402.499 1.023 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](COCC)C1 1722727684 PUPMGNSMZIAHMK-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](COC)C1 1722729510 MTESSPXTLVAZHY-MRXNPFEDSA-N 405.524 1.337 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)F)CCO1 1731186631 FOBBYLVPDKOJTO-HNNXBMFYSA-N 417.420 1.875 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CCO1 1731190231 OTUNZPSYOQEPFK-SJORKVTESA-N 401.515 1.224 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1740530886 ABYVXOAKDZGQMI-OHZJNBGDSA-N 401.536 1.801 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1740541996 MIZMXRIACVXICA-AWEZNQCLSA-N 423.477 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1740549094 KSTBCONJQSWQAN-ZWOKBUDYSA-N 411.506 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1740551297 SXCGRPDBLJWZGG-GJZGRUSLSA-N 405.499 1.569 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1740579339 NCGKDXOWDWEMRY-UHFFFAOYSA-N 421.567 1.767 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCSC1 1740686562 KQLLNKHFUVHVOE-FQEVSTJZSA-N 404.511 1.962 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1740857261 IVRZKFZZMFDDKK-UHFFFAOYSA-N 400.531 1.833 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740874027 LKOJOAHRTQCTAF-KRWDZBQOSA-N 404.559 1.990 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740879840 RQKXKOXPVDKRNN-UHFFFAOYSA-N 407.478 1.902 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740880029 BHCOIKGESXXPCD-QGZVFWFLSA-N 417.514 1.320 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1740961140 MZZXNYQOLJARHT-UHFFFAOYSA-N 408.510 1.372 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740961964 OAJBMVIOKXRWCU-KRWDZBQOSA-N 406.494 1.294 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cccnn2)CC1 1740986678 DOWIKGQQYUMNGA-INIZCTEOSA-N 419.555 1.509 30 10 HDEE CC(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)N1CCOCC1 1741310764 CJCBVPNNQJNJOD-LJQANCHMSA-N 423.521 1.110 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1747368248 LDQGSSVGIPIXHN-WIYYLYMNSA-N 418.542 1.532 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1748697433 IHZHQEPLJLXJOK-INIZCTEOSA-N 401.515 1.260 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748734383 CLKXZIBCSHPTCA-SFHVURJKSA-N 412.450 1.608 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)nc1OC 1748875010 HWSVZWJWUYAURI-UHFFFAOYSA-N 422.489 1.438 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1749118920 LFWNOVZMTFSLCZ-PVAVHDDUSA-N 422.555 1.609 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749210604 JSNNQCADDBZPBD-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1749464694 BTHNPYMWZSFTAO-CYBMUJFWSA-N 409.512 1.576 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1749609446 OSWULVNJHNQBOS-HOTGVXAUSA-N 403.508 1.749 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCOCC1 1750006613 HRWZFYPSAMKNHS-SJLPKXTDSA-N 407.515 1.938 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1750387918 DZGHFKYPAUJALP-RCCFBDPRSA-N 417.441 1.265 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760186285 LSZOPXOROPDOGJ-QAETUUGQSA-N 410.515 1.547 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760191956 CHLGTCKGTLFBBZ-ZWKOTPCHSA-N 421.567 1.242 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NC2CCCCC2)CC1 1760259364 LEHBSMSROGLVFW-SFHVURJKSA-N 414.554 1.376 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)C(C)C)CC1 1760268426 JRVIWFDLVSKNPG-GOSISDBHSA-N 411.510 1.372 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760524001 MSTPTVSEGULQJM-BFHYXJOUSA-N 417.432 1.630 30 10 HDEE CN(CC(C)(C)C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1767026681 JTUWUIHEAFFXEW-FBMGVBCBSA-N 410.482 1.744 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1769199663 HGZJKNXREGGVEP-RBUKOAKNSA-N 424.505 1.585 30 10 HDEE COC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769466844 FUBVVQHAALENOF-RAJOGRCSSA-N 416.526 1.866 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1769475401 GCGUYTMGKXFTRB-SFHVURJKSA-N 424.505 1.728 30 10 HDEE COCCOCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1770148874 QXQHVEBWQUHQAJ-OAHLLOKOSA-N 421.448 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)ON1C(=O)c2ccccc2C1=O 1772787664 POUMZQWKDLNPLE-CQSZACIVSA-N 417.418 1.257 30 10 HDEE CCOc1ccc([C@H]2Cn3nnc(C(=O)N4CCO[C@@H](C#N)C4)c3CO2)cc1Cl 1848505151 ZCOWZHDLBWOXDW-SUMWQHHRSA-N 417.853 1.966 30 10 HDEE CN(C(=O)c1cc(-c2ccc(F)cc2F)nn1C)C1CN(c2nccnc2C#N)C1 1848867012 DAVHDJNCCCRMMA-UHFFFAOYSA-N 409.400 1.988 30 10 HDEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[C@H]1CCN(C)C1=O 1849165883 HVBKRSVFDJRGHO-ZWKOTPCHSA-N 405.520 1.475 30 10 HDEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCOC)[C@@H]1CCN(C)C1=O 1849243180 YQAAJTWDGUMNMY-MRXNPFEDSA-N 423.473 1.155 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)CC1=O 1849325395 SYJAQUOTTHQWDR-SFHVURJKSA-N 408.502 1.978 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC#CCN1CCCC1 1850071207 NMPIJBZPVXTEEX-CYBMUJFWSA-N 401.891 1.361 30 10 HDEE N#Cc1ccc(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1F 1851317931 SWSUJVOYHQQRSR-UHFFFAOYSA-N 408.377 1.242 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(C#N)c(C)[nH]1 1851582760 FZYXQAZRWHPWML-NSHDSACASA-N 415.837 1.741 30 10 HDEE CCN(CC)CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1851890235 CIKNPNMFPDHZIX-UHFFFAOYSA-N 421.563 1.557 30 10 HDEE N#CCc1ccc(C(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc1 1852461566 JLRZDCGSYYXBSY-PKOBYXMFSA-N 404.426 1.316 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)C(=O)C2)C1 1853716482 VUIKSCBWQXAOQI-RBUKOAKNSA-N 410.518 1.279 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1=O)[C@@H]1CCN(C)C1=O 1853828432 LYJPJLQIBHFONH-RBUKOAKNSA-N 411.502 1.886 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283435 FPVKLOVFJFKEKK-WMZOPIPTSA-N 416.501 1.761 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCOC4)C3=O)CC2)CC1 1854370701 MGVGMRNKYDUSGU-RTBURBONSA-N 416.522 1.015 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1855411507 GRNLSUASQXDMHL-ROUUACIJSA-N 402.539 1.099 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCCC[C@@H](N4CCC(C#N)CC4)C3=O)C2)no1 1855597573 GBQIEYHYOMZHHE-GOSISDBHSA-N 413.478 1.198 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855622205 WBNBOWDZGBMKLN-QGZVFWFLSA-N 403.504 1.938 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCC(N4CCCC4=O)CC3)C2=O)cc1 1856536014 GTSIMCBNJPVESO-FQEVSTJZSA-N 408.502 1.705 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)Cn3c(=O)sc4ccccc43)C1=O)CC2 1856554336 ZPGHTYZJGZAUFM-HOCLYGCPSA-N 410.499 1.816 30 10 HDEE Cc1nnc(C(=O)N2C[C@@H](CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)o1 1856630051 REZAPUOKSWGSGT-MRXNPFEDSA-N 409.446 1.782 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCCc4cncc(OC)c43)CC2=O)CC1=O 1856854667 KJMVDOODFKVTNM-RDJZCZTQSA-N 412.490 1.252 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)C1 1857017420 VYTURFOEWTXUSR-DLBZAZTESA-N 409.490 1.597 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)Cc3cccnc3Cl)C2=O)C1 1857103431 HCRWEBGFTCAOAB-INIZCTEOSA-N 411.849 1.435 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@H](F)CC2CCC2)C1=O 1857151999 RJFYUDAAHQGDIH-NVXWUHKLSA-N 400.458 1.124 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2)CC1 1857207989 PMAPSBWGQLYWOK-ROUUACIJSA-N 409.490 1.578 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@H]1CCN(C)C1=O 1857282266 UZBBXDZEMDVOJQ-HOTGVXAUSA-N 404.536 1.396 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(F)cc3F)C(C)(C)C2=O)CC1=O 1857420852 FVEVMSWMOLYPNT-HNNXBMFYSA-N 405.445 1.949 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)s1 1857510732 WKUFCHHIOUHHNL-AWEZNQCLSA-N 400.504 1.582 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CC[C@@H]3CCC(=O)N3)sc2c1 1866203625 INWBKDGUNVRXGW-NSHDSACASA-N 408.505 1.758 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CSc2ncccn2)cc1=O 1870300724 RMDDSRDCKBDONY-UHFFFAOYSA-N 400.504 1.665 30 10 HDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCC(O)CC1 1870492390 UYYHWLJGHHZNQP-UHFFFAOYSA-N 403.523 1.819 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)Nc1ccccc1C#N 1873868549 HZBOVBWLGZIUKL-DZGCQCFKSA-N 420.425 1.783 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(O)c1 1874338603 YFEHOCVDGMTAEI-IEEVUCOHSA-N 417.491 1.855 30 10 HDEE Cc1cc(C)cc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889548579 JJRWYCLXAWUZFU-UHFFFAOYSA-N 419.591 1.724 30 10 HDEE Cc1csc2ncc(C(=O)N3CCC(COc4nccnc4C#N)CC3)c(=O)n12 1891384963 LPBKLLQYUUUJSR-UHFFFAOYSA-N 410.459 1.657 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010397456 LNGZVXCHSKFORU-INIZCTEOSA-N 420.315 1.488 30 10 HDEE C=C(Cl)[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2019012977 VETBCIPYRRRARW-KBPBESRZSA-N 419.883 1.673 30 10 HDEE O=C(NCCOCCOC(=O)ON1C(=O)CCC1=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21 2049382442 PREFPNRTWCTNHH-MUJYYYPQSA-N 422.434 1.386 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074690148 JFINTNHSJJINFJ-WVDZOPJMSA-N 410.492 1.539 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCOC1 2174782353 PNPCBJWGQZHHKU-HUUCEWRRSA-N 401.529 1.822 30 10 HDEE Cn1nc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2243384747 VQZLUTWGDVQGSR-VXGBXAGGSA-N 406.292 1.115 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2243398294 ODVZQEGPLZKWPU-UHFFFAOYSA-N 405.304 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548797 USJDOEIDTVFFOL-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)n1 2247907342 APSDWMWNLUEFDQ-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE Cn1nc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255625215 OHGANDOONBJUOY-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(C)(C)C 2258156354 IBBUZYWMQFHRIT-HZPDHXFCSA-N 410.492 1.422 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258156844 PLIHOEMRIHPDJZ-MAUKXSAKSA-N 409.464 1.321 30 10 HDEE C[C@@H](CN(C)C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352383 DOHUPIXYDAEWAJ-JTQLQIEISA-N 408.782 1.929 30 10 HDEE Cn1ncc(NS(=O)(=O)Cc2ccccc2C#N)c1I 2280045316 NOIWQBTZSLCXEV-UHFFFAOYSA-N 402.217 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@@H]1CC#N)[C@@H](O)C(F)(F)F 2280085341 UFTSZQRZTQMTFQ-LPEHRKFASA-N 401.332 1.953 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCC[C@@H](O)[C@H]3O)sc2Cl)OC1(C)C 2281975442 MXAKQPCCHCKKAR-WZRBSPASSA-N 401.721 1.705 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N2CC(S(=O)(=O)C(F)F)C2)OC1(C)C 2282192254 UZADAMOVOYHUFN-UHFFFAOYSA-N 407.269 1.509 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](CO)[C@H]1C 2282313841 QMZDRWFHJURGBS-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(F)CCCNC2)OC1(C)C 2282335362 OLWFGNVPHKCUCY-MRXNPFEDSA-N 404.338 1.417 30 10 HDEE C[C@H](O)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282336465 DNDJARNFGPKVHC-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C=C(CS(=O)(=O)N1CCC[C@@H](CS(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282491882 OYDNGXBIAXFCFP-CQSZACIVSA-N 407.363 1.260 30 10 HDEE CN([C@@H]1CCOC[C@@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504876 VTEJOVYSZASPFT-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCP(C)(C)=O)n1 2282505605 GOPIFLANLYIZEB-UHFFFAOYSA-N 405.266 1.010 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282510909 GKCUXWQEGDARLT-VDBVYFBLSA-N 421.415 1.624 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C(C)(C)O)C1 2282837318 TXVXYXJKGQZEEC-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE C=CCCSCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837912 YKNNIRFSIZHZMX-UHFFFAOYSA-N 401.363 1.307 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839527 FLQAJENQPUSJHK-QWHCGFSZSA-N 401.359 1.747 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282867450 ZDUCLQVEWACATB-CYBMUJFWSA-N 401.359 1.810 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC([C@H](F)C(=O)O)C2)OC1(C)C 2284396632 XGHYKBBQPDOTQU-LBPRGKRZSA-N 405.278 1.091 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2(C(=O)O)CCCC2)OC1(C)C 2284410893 XIXAZIFZRYMKSA-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(O)cc1O 2330785632 YMMRZRPYISETFX-UHFFFAOYSA-N 421.479 1.499 30 10 HDEE Cn1nc(Br)c(Br)c1[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339661286 GXINZBZOOLAFGP-SSDOTTSWSA-N 414.119 1.805 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@@H](O)c1cc(I)nn1C 2363678442 UYVLXPNACFJEHC-TVQRCGJNSA-N 402.261 1.463 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 2367790902 ICDCCFKKDSUBBQ-GJZGRUSLSA-N 402.557 1.863 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3C(=O)[C@H](C)Oc4ccc(N)nc43)cc21 96496160 DRHUXZBVAIMTAI-OLZOCXBDSA-N 422.441 1.961 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 238874010 NOZSOBARGXZLPN-HNNXBMFYSA-N 401.448 1.539 30 10 HDEE CCc1ccc(N2C(=O)[C@@H]3[C@H](c4ccc(C#N)cc4)N[C@](CO)(C(=O)O)[C@@H]3C2=O)cc1 251991533 JHOHWYVOFBZDTJ-KGYLXKDPSA-N 419.437 1.386 30 10 HDEE O=[N+]([O-])c1cccc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1O 252628924 TUXQJCBHQRLPGA-UHFFFAOYSA-N 414.426 1.368 30 10 HDEE C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])s2)sc2cc(S(N)(=O)=O)ccc21 254294483 JWSCOQKDYIBBSA-UHFFFAOYSA-N 422.469 1.694 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 404902849 IJQMJQMWJSOTOH-JTQLQIEISA-N 403.693 1.942 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 410071315 RTOBGJACPXOOOR-MRXNPFEDSA-N 405.476 1.236 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCCC2(C#N)CCOCC2)CC1 410316118 KYRHKTFZSJSRJY-UHFFFAOYSA-N 402.520 1.965 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 432968356 XRKSXQXEGVGZQQ-UHFFFAOYSA-N 404.879 1.856 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443488478 TYWZFPHGFLXPBG-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@H](C)C(=O)N4CCCC4)CC3)cc2C1=O 446676483 MEEFBKKHQVEQTQ-MRXNPFEDSA-N 424.501 1.237 30 10 HDEE CC(C)c1ccc2ncc(C#N)c(N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)c2c1 447678108 JDAYVCQIKDHOGJ-UHFFFAOYSA-N 419.489 1.696 30 10 HDEE CS(=O)(=O)c1ccc(OCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461312080 UNQMAOZVYULLAS-UHFFFAOYSA-N 411.443 1.950 30 10 HDEE COc1cc(N2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)ncn1 461912839 DPMMHAZEYYPGRC-UHFFFAOYSA-N 422.424 2.036 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 465506843 VWHXCHZLDLTVLT-GFCCVEGCSA-N 402.867 1.773 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 469297095 YYFQAJZLCCYWNY-PKOBYXMFSA-N 405.520 1.988 30 10 HDEE CN(C)c1ncn(-c2cccc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c2)n1 473367389 IJBCROIHGCIHDL-UHFFFAOYSA-N 424.486 1.758 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@@H](COc2ccccc2)C1 480847061 SJNKXKLFLQBKLA-OAHLLOKOSA-N 403.416 1.935 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 487126390 VAPYWKFPXOUUQW-ZIAGYGMSSA-N 413.430 1.916 30 10 HDEE C[C@@H](C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)n1cnc(C#N)n1 494631497 JKWXIRWZYNZKSC-ZDUSSCGKSA-N 415.429 1.149 30 10 HDEE CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C[C@@H]1c1nc(C2CC2)no1 502054661 DBUQPYNOJIJITJ-QGZVFWFLSA-N 406.446 1.223 30 10 HDEE Cc1cncn1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 505664656 ZCTJQHMLMKGETP-OAHLLOKOSA-N 401.492 1.594 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 508818314 SBTLLCQTWNCLFC-INIZCTEOSA-N 401.467 1.490 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)CC1 522832930 AKNIPPSAXIKKEV-CQSZACIVSA-N 416.425 1.028 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3ccnc3C#N)cc2)C[C@H](C)O1 537795003 HRARGRSFSZAQAF-KBPBESRZSA-N 403.464 1.191 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545463486 OXMFEXDEDBHLAB-UHFFFAOYSA-N 424.486 1.108 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cncc(-n3ccnn3)c2)cc1 584422817 BMPHPOSLJBUKNS-KRWDZBQOSA-N 405.443 1.688 30 10 HDEE N#Cc1csc(CN2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)n1 589494764 NVCPKDKKJLPPIP-UHFFFAOYSA-N 404.477 1.103 30 10 HDEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 685544976 WSMYZAOTSPKLAM-RBUKOAKNSA-N 413.522 1.530 30 10 HDEE C#CCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 729335830 VEVUJFRBTGDNQR-SMDDNHRTSA-N 410.439 1.240 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cscn3)c2)CCN1C1CC1 737197519 FTRJSNOMPKTZHV-KRWDZBQOSA-N 411.487 1.859 30 10 HDEE Cc1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC[C@@H]2CCOC2)c1 755590142 QORVPKLRSYAPPE-VNRULFPQSA-N 413.474 1.943 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)c1 756976772 ZFPSGVAOEXMFJP-QFBILLFUSA-N 413.522 1.912 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 757174145 RHILOMXLDJGDQU-UHFFFAOYSA-N 406.504 1.734 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 758050377 RIXXKGPXJXSIKQ-UHFFFAOYSA-N 410.451 1.103 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 766233380 NNUQRHVLTRLQRA-HNNXBMFYSA-N 409.464 1.140 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 767891398 DNMUXKMEKCXMKO-HNNXBMFYSA-N 401.492 1.149 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCC2CCS(=O)(=O)CC2)C1=O 768421603 MZRUJZSYDOBCIL-MRXNPFEDSA-N 423.560 1.969 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(Br)cc1F 769851812 DAYLFGUFQLDYRD-AWEZNQCLSA-N 421.244 1.678 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2cccc(C#N)c2)[C@@H](C)O)cc1C 777289628 AMHBREGVDLIVIS-BEFAXECRSA-N 402.472 1.946 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(C#N)c(Cl)c1)c(=O)n2C 778536176 WQELUFKNJILGJA-UHFFFAOYSA-N 401.810 1.206 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCS(=O)(=O)c2ccccc2)n1 788576771 JDEZJVJPVLUBFB-UHFFFAOYSA-N 404.492 1.148 30 10 HDEE COc1cnccc1N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 796575806 QFFVPRGWBUPPSU-MRXNPFEDSA-N 418.457 1.737 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 798110959 PPILWVKMASWAOF-DLBZAZTESA-N 400.479 1.575 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)c1cc(Br)ccc1OCCOC 798485689 IZBZGTAHNZCCKO-CYBMUJFWSA-N 406.298 1.527 30 10 HDEE C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 804368410 CUPHDRYOIJTDTB-WYQTVGAXSA-N 400.410 1.676 30 10 HDEE C#CCN(c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812431113 ZCMSFUFTIHHKIM-IAGOWNOFSA-N 404.492 1.734 30 10 HDEE CCc1ccc(C#CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 815876846 QUEWIBGKWHSCGT-UHFFFAOYSA-N 414.483 1.966 30 10 HDEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1 1084528785 NDVDKKIGXQVGSN-UHFFFAOYSA-N 400.468 1.401 30 10 HDEE CCOC(=O)[C@@]1(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCCOC1 1131872599 OTGFKYDUFWWHRR-HXUWFJFHSA-N 404.467 1.547 30 10 HDEE C=CC[C@H](NC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1138147852 ZEWYLIQQMWWGBJ-LIRRHRJNSA-N 400.472 1.263 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1139870121 YWHBNTGUXZIBST-OAQYLSRUSA-N 402.495 1.429 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1142289868 NNMIDMQUTZKQPE-UHFFFAOYSA-N 414.506 1.883 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)Cc1ccccc1 1163407647 CYAQCSSPQMXMQR-OAHLLOKOSA-N 413.478 1.835 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cn1C 1167669457 ZKHIJBSDDMOCCZ-UHFFFAOYSA-N 404.452 1.015 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(N2CC[C@H](O)C2)CC1 1174742345 KUSOZWFTZPPSLK-HKUYNNGSSA-N 400.523 1.861 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2ccccc2C#N)cn1 1176153286 DDXGJTOHZRPFOG-SFHVURJKSA-N 401.492 1.482 30 10 HDEE CN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1190411705 CIJRLQVFTSYXBN-NSHDSACASA-N 408.293 1.419 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1190512617 UUIKIXRBORDCOO-HCXYKTFWSA-N 424.519 1.675 30 10 HDEE COC(=O)c1ccc(Br)c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1198337670 VJBYJDJQTZRPAJ-XJKSGUPXSA-N 413.293 1.606 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 1209343928 UYZLIVFOQWHRNU-QGZVFWFLSA-N 422.503 1.939 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC(N)=O)C(=O)C1 1219087076 YQPIGHCVOZHWQL-UHFFFAOYSA-N 411.256 1.175 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1225052328 PSFWBHJPEAXALP-LJQANCHMSA-N 404.536 1.775 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)C1 1233852498 LERKTAGJCGPINY-UJKGCTCZSA-N 421.498 1.666 30 10 HDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1277745180 BKDZIYDFMLTJCR-OAQYLSRUSA-N 406.490 1.874 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286349646 LJBHBPFVKSALLA-QGZVFWFLSA-N 423.521 1.406 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286383468 DGHWHRHMJXMPEQ-DLBZAZTESA-N 407.584 1.543 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)N1CCOCC1 1286416916 SRSJSEWQDYVQCH-HXUWFJFHSA-N 407.518 1.959 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCOC[C@H]1C 1286466641 LDSWYRAAKOHCOP-GOSISDBHSA-N 415.513 1.815 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286828625 PHLNZLGNXIYDRV-AWEZNQCLSA-N 423.568 1.172 30 10 HDEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)CCC1 1296258121 YPVCEZGFQGDSAU-YWZLYKJASA-N 422.505 1.750 30 10 HDEE Cc1nc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c2cnn(C)c2)no1 1298587761 BOPQZXFZABHUKP-RDTXWAMCSA-N 405.418 1.242 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1299188116 MUMPKNIZQRWDJK-LLVKDONJSA-N 424.828 1.888 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1300314922 MEWUEIHRLHJWGN-MRXNPFEDSA-N 417.473 1.884 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1300431306 WPTFAZQZWBWNLF-CQSZACIVSA-N 403.508 1.331 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1300456172 WSTLUZWNKAPPNC-OAQYLSRUSA-N 408.462 1.067 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300583687 JTWDJGCPHRZCAL-SFHVURJKSA-N 422.464 1.459 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(=C)C)CC1 1300697823 KICKXOJVYCTFIE-UHFFFAOYSA-N 412.494 1.354 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(CC)n1 1300780538 SFKSIQFEQQXOHG-SCLBCKFNSA-N 422.580 1.948 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1300940835 XSXCZHOFXABNMC-UHFFFAOYSA-N 416.503 1.687 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1300949283 RLEUMEACGNYXBK-CYBMUJFWSA-N 402.528 1.546 30 10 HDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1301053402 NKYQDHUVIMSOSH-QGZVFWFLSA-N 424.484 1.861 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1301251412 CVZGHEGWNKBQCE-KRWDZBQOSA-N 411.510 1.544 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](CC(F)(F)F)O1 1301255827 OCHITIQEQCQNKT-MNOVXSKESA-N 405.398 1.293 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1301259571 NTMZGSYBEQFRTA-FUHWJXTLSA-N 403.527 1.997 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1301314295 SGGLQYQXSIKNAZ-GOEBONIOSA-N 424.571 1.302 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CCO2)cc1 1301368315 AFRRGWVNRSKBIU-MOPGFXCFSA-N 400.456 1.595 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301594911 LOARJHHLRXENEG-HXUWFJFHSA-N 420.583 1.832 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1 1301602330 OJBFCGWPCMMXEI-UHFFFAOYSA-N 415.519 1.914 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1nnc2n1CCC2 1302240979 FSZUKSOAGJEHLF-KEYYUXOJSA-N 400.487 1.326 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1302429301 NPIGPWJZOFLGSU-HUUCEWRRSA-N 411.499 1.374 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1303172340 DZFOZPIZPASXMO-ROUUACIJSA-N 410.526 1.832 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1 1307415812 SUHOHWNXJPYYME-KRWDZBQOSA-N 409.442 1.882 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1nc([C@H]2CCCO2)n[nH]1 1309626244 CRNBVNKQQVRVOL-LLVKDONJSA-N 412.269 1.769 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCC1CCC(C#N)CC1)CCS2(=O)=O 1312568122 ZLVDVRKYIRSZQS-DZPQGLOJSA-N 411.524 1.515 30 10 HDEE CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1314633195 FZXGYKRYSCWMAA-UHFFFAOYSA-N 410.482 1.534 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CCCNS(C)(=O)=O 1314912650 ZZFDPNZTJMSFHW-UHFFFAOYSA-N 405.528 1.353 30 10 HDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1315675077 FFHPMKMIMGLUIH-JOCHJYFZSA-N 417.473 1.970 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 1325228849 UBQMTWUTBVYCQE-QGZVFWFLSA-N 412.490 1.120 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2cccc(C(=O)OC)c2=O)ccc1OC 1353363937 GLLWSUAQHOFOQJ-HNNXBMFYSA-N 413.430 1.641 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1358913367 MLXQYXXKBUALOX-CQSZACIVSA-N 419.498 1.506 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1358916042 XYNLJRXWQBYYBP-UHFFFAOYSA-N 416.570 1.751 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1359059980 GJFRXUQYHNOIJI-UHFFFAOYSA-N 412.563 1.891 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC)C1 1359131650 AJVHGBAILHUHCH-OAHLLOKOSA-N 419.482 1.450 30 10 HDEE C=CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1359220624 DNJROTCGEBKUCK-VQIMIIECSA-N 412.556 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359332739 GCHKNHVNTAVVKP-UHFFFAOYSA-N 420.461 1.830 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOCC1 1359333518 ZZQXBEJQUUPILC-KRWDZBQOSA-N 420.491 1.228 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2ccc(C#N)c(Cl)n2)C1=O 1435439206 CJULFJVDOUBUAV-GFCCVEGCSA-N 404.835 1.990 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C(F)(F)F)c1 1438754323 HSVGNEDPWMQKGE-OAHLLOKOSA-N 410.377 1.775 30 10 HDEE C#CCN(CC(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1)C(=O)OC(C)(C)C 1441008703 UBNSLKMIGUULJY-UHFFFAOYSA-N 411.480 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1 1447223006 PWVVVISXXBMFJF-KRWDZBQOSA-N 401.463 1.830 30 10 HDEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455927185 BDEYRMUUGVQAFX-OAHLLOKOSA-N 413.503 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCO[C@](C)(C#N)C2)CC1 1456476205 BUYXQLDZGQQPTI-LJQANCHMSA-N 404.471 1.605 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1462694096 KDJBBMHIEGDPIZ-MRXNPFEDSA-N 414.549 1.119 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1 1462867884 HDMUPYMADWHUGL-UHFFFAOYSA-N 409.467 1.420 30 10 HDEE N#CCCCOc1cccnc1NC(=O)CNS(=O)(=O)c1c(F)cccc1F 1464704468 AIXVFEMFWWRRKC-UHFFFAOYSA-N 410.402 1.959 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(OC)cc(OC)c2)c1 1465897171 ZNMZQDMZFKBXFJ-FQEVSTJZSA-N 417.483 1.964 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)ccc1F 1469487338 WOKKNMHSXCHZTH-INIZCTEOSA-N 424.498 1.513 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)Cc3ccc(C#N)cc3)C2)cc1 1470093077 HJFAQQNMVGAHOJ-UHFFFAOYSA-N 414.487 1.781 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H](CCc2ccccc2)c2ccccn2)c(=O)nc1O 1471083188 MYSKWYZNDQMCBD-LJQANCHMSA-N 418.457 1.889 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)CC1 1473728203 VEYOTAHOGZZZIL-MRXNPFEDSA-N 422.451 1.436 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1478908152 FNEHGAUIYQQLCN-LBPRGKRZSA-N 403.888 1.871 30 10 HDEE Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Br 1479215052 WRVKEPWPUXJFBV-BBRMVZONSA-N 412.309 1.837 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1490722412 GTGXQXMZILRBSP-FFRIZKCHSA-N 404.511 1.066 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1501407430 XNOXRLKDZGNBNZ-VQIMIIECSA-N 407.522 1.968 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1505315840 SZEMGNOXTHRVFB-MAUKXSAKSA-N 411.503 1.439 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1507542069 NXRFYPDYRWMPDP-MRXNPFEDSA-N 404.584 1.686 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507609077 WJTYYHARZOCPLD-IBGZPJMESA-N 403.490 1.419 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC(OCC)C1 1507612213 ROQGFAKZCKWXLV-UHFFFAOYSA-N 424.549 1.988 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1507732547 OZJHKDHWZZQNCF-KRWDZBQOSA-N 420.558 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(CCOC)CC2)CC1 1507738638 SZFFRDCASTUJKH-UHFFFAOYSA-N 423.521 1.518 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1507746011 IVRLEPJTUOVLEQ-UHFFFAOYSA-N 401.540 1.777 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1508010104 KWNKHXDYYDBLIC-FXAWDEMLSA-N 424.567 1.932 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)C1 1508126375 KIKBGGZPSPCHBI-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C)C1 1508143767 NGLQDIOSPRYHEV-QGZVFWFLSA-N 404.536 1.889 30 10 HDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508157834 HMNMELSRIDDBMO-QGZVFWFLSA-N 409.519 1.950 30 10 HDEE C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1509998938 CFXHLTUPCMQOGI-QGZVFWFLSA-N 415.542 1.365 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1516743342 BFACCPWGXOXXQK-KRWDZBQOSA-N 412.494 1.857 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCSCCCO 1519436890 OTRNLAIGHXFYQX-MPGHIAIKSA-N 413.519 1.560 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1cnnn1C 1519437669 WCKRXUYCSHMSDN-QOKNQOGYSA-N 400.487 1.309 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)n1 1524968248 MTCQFRCSXLKJDG-UHFFFAOYSA-N 402.458 1.707 30 10 HDEE Cc1cc(C#N)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 1527213768 BUVNRZRCZAMDDS-UHFFFAOYSA-N 406.489 1.525 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1533634806 SLGYFVOZODWOLB-NSHDSACASA-N 407.215 1.752 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1538228895 XFBCSMWCXLOAIU-AWEZNQCLSA-N 413.462 1.272 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1539003265 BOIFJZYTWWJGLJ-HUUCEWRRSA-N 404.515 1.944 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539112335 MRASMRWPMSSYFB-FQEVSTJZSA-N 410.570 1.697 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539231089 OGJYTDVGZOOFIC-AWEZNQCLSA-N 423.564 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1539252015 WIMPPBROXPNTIC-UHFFFAOYSA-N 405.380 1.705 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCO[C@@H]1C 1539278677 HSROJCYHMYDXRS-JPYJTQIMSA-N 424.501 1.869 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1539369310 JJROSDJXGVWNNJ-YJBOKZPZSA-N 402.520 1.741 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N(C)C 1539414035 RIRSGBCDJXZONG-HZPDHXFCSA-N 416.551 1.680 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccsc1 1539415801 HBQLLACUXFEEME-MRXNPFEDSA-N 408.549 1.570 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1539524912 QHAFFFHFYRMTCX-UHFFFAOYSA-N 405.568 1.672 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539758473 NTIZHPQDCZZNPY-NRFANRHFSA-N 413.526 1.591 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1540058120 QDJXKAHGLUTIPU-UHFFFAOYSA-N 407.482 1.589 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1C(=O)OC 1540165871 AMFHVODARDTLOR-IAGOWNOFSA-N 412.398 1.764 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540871988 ZEOLSDZJAOKEGF-INIZCTEOSA-N 402.543 1.760 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)OC(C)(C)C1 1540874931 WPQSXQLYJJHEGF-INIZCTEOSA-N 401.515 1.446 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1540883901 GQVXLVFQSWDJEZ-RCCFBDPRSA-N 409.556 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1540892307 JOIIMXQMHRTFME-IAGOWNOFSA-N 408.524 1.308 30 10 HDEE CC(C)C[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)NC(=O)OC(C)(C)C 1542978814 YGJPJJNMLZYQBS-YWMAMYRUSA-N 408.499 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H]1COCCO1 1543346072 POYXVPAEWUQXAT-AEFFLSMTSA-N 401.463 1.924 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(SC)CCOCC2)s1 1544699286 DIUSBIJFXQYIAB-UHFFFAOYSA-N 404.579 1.783 30 10 HDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1546025902 WURAMFDYCPGLBA-SJORKVTESA-N 421.542 1.339 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)C1 1555808429 AKFCYXWBYJEUNV-INIZCTEOSA-N 400.508 1.698 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)COc2ccc(C#N)c(Br)c2)nc1=N 1556316307 WGHLISYFRXXNAU-ZDUSSCGKSA-N 405.256 1.604 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)C(F)(F)C3(F)F)cc1 1557365602 PHDYOKSKAWTQNS-UHFFFAOYSA-N 405.373 1.730 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1557697948 SMBDEKMENNYYMT-RTWAWAEBSA-N 412.534 1.660 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1CNC(=O)OC(C)(C)C 1558640876 XGBNQIABDZXBGJ-RHDHSSKXSA-N 420.510 1.912 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1564785720 MJTYTRDSBHACHK-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1565078985 BCQZFHQFLURTQM-MRXNPFEDSA-N 407.515 1.442 30 10 HDEE CCN1CCN(CCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1565617866 AVWFGRGMWDXBNC-UHFFFAOYSA-N 401.360 1.662 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnnc(O)c2)CC1 1565661528 FXCYYYILRPKBJK-OAHLLOKOSA-N 402.252 1.967 30 10 HDEE C=CCN(CC=C)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@@H]2C1 1566046900 MZXKFMLBWBYBHB-QXQWVWGKSA-N 401.551 1.782 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)OC)c1 1566401311 DTMGHJPDENLYAA-KRWDZBQOSA-N 410.492 1.334 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1=N 1567946626 SDJQMGFDFIKVHR-HNNXBMFYSA-N 402.480 1.282 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1568808987 BFVKBHXTRPKICH-GUYCJALGSA-N 410.517 1.657 30 10 HDEE CC1(C)[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H]1N1CCOCC1 1583343345 UOEJSYKKPKNIOD-ROUUACIJSA-N 405.520 1.089 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1583527325 XMDDOZLIFVNKKG-SFHVURJKSA-N 424.519 1.644 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1585376185 KCUFPNWGOSQULF-IHSNIMORSA-N 410.536 1.978 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CCO2)cc1 1585446541 UTVRFTHKJIYPFD-WOJBJXKFSA-N 403.442 1.578 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1586493749 FOUQAVDAUZUVPW-HXUWFJFHSA-N 403.548 1.396 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1587697152 KSWZHWJZVLMLSA-UHFFFAOYSA-N 416.570 1.865 30 10 HDEE C#CC[C@]1(C(=O)NCc2nc(O)c3c(n2)CCOC3)CCCN1C(=O)OC(C)(C)C 1588033469 YDMBICPLAFFQOZ-OAQYLSRUSA-N 416.478 1.664 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)OCC 1588121535 GHJIEBJISSLIJE-GFCCVEGCSA-N 408.929 1.644 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1588173769 JZUPXALOPAENCI-UHFFFAOYSA-N 417.477 1.182 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1594784340 XFOIJYARSKKEDK-UHFFFAOYSA-N 406.487 1.088 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1603400558 GJCFKHHOCMTHKJ-UONOGXRCSA-N 401.220 1.429 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1617631577 BYMXMOORXNZAPN-OALUTQOASA-N 412.542 1.918 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC[C@H]1C 1619515172 DICARAAHEDLUSR-QAPCUYQASA-N 407.482 1.755 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1619670540 AHUKXDOQIIEYCH-UHFFFAOYSA-N 420.477 1.688 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1619983931 TYGIEMISSMSZHK-OXJNMPFZSA-N 406.531 1.199 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCO[C@@H]2CCOC2)CC1 1626608125 GYKGEHWVGOUYMY-OAHLLOKOSA-N 400.435 1.944 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 1628796958 UXJPMBQOKZUUSU-CQSZACIVSA-N 414.418 1.683 30 10 HDEE C#CCN(CC#C)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1629724133 NBOCSORSPFSBGL-JOCHJYFZSA-N 402.450 1.981 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)c2ccc(F)cc2)cc1 1629943286 VVODAYWXHPBFPK-MRXNPFEDSA-N 405.451 1.524 30 10 HDEE CC(C)CNC(=O)c1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Cl 1630699137 FVWNDKKTBAPRAK-UHFFFAOYSA-N 403.826 1.498 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN([C@H]4CCOC4)CC3)C2)C1 1632237663 HZRFBJAZYKYJPY-RKQJOMJXSA-N 418.538 1.706 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c1 1632604812 VNUPYWPTJMBGEM-IBGZPJMESA-N 414.458 1.936 30 10 HDEE CC[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cc1cccc(Br)c1 1634007955 IERDMVCXNMJCRC-LBPRGKRZSA-N 419.279 1.968 30 10 HDEE CN(C)c1n[nH]c(C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1635305462 POVMWXOYRKYIFD-UHFFFAOYSA-N 420.470 1.327 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2ccc(COC)o2)c1 1635351801 DKYWEEXDXHAWKR-SFHVURJKSA-N 418.471 1.551 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1635574140 NSHWVCKTZKMHJL-UHFFFAOYSA-N 403.479 1.677 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1635757966 SCNPHMJJPUBSNR-FQEVSTJZSA-N 409.552 1.408 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN=S3(=O)CCCC3)CC2=O)cc1Cl 1640390405 QZBZASCTBPMAEM-CQSZACIVSA-N 408.911 1.943 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1644146258 PMYMZVNAQVJBST-INIZCTEOSA-N 419.283 1.329 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2cncc3ccccc23)CC1 1644284674 BUBXOMRGFOHSPV-MRXNPFEDSA-N 400.504 1.025 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)COCCNC(=O)c2ccccc2)CC1 1648940262 UBTMQTQDTGGERD-UHFFFAOYSA-N 410.449 1.793 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1649540450 WIEXRXQLRNYDSQ-WMLDXEAASA-N 403.449 1.882 30 10 HDEE Cn1cc(N2CCN(S(=O)(=O)c3ccc(Br)c(C#N)c3)CC2)cn1 1654451643 GDWYNWCQDZFCGX-UHFFFAOYSA-N 410.297 1.565 30 10 HDEE CO[C@]1(CO)CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1655009854 GJJRNOVSNXLTOY-PZJWPPBQSA-N 404.486 1.008 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Cl 1660309665 ISIJMYYPENBZPH-KXBFYZLASA-N 420.922 1.765 30 10 HDEE N#C[C@@]12CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1660315412 RCLZMLVOSDNYTD-FZMZJTMJSA-N 400.254 1.727 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1662071753 MFMXIMJRXIEOMG-CYBMUJFWSA-N 409.389 1.584 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 1668319400 ZKFCPGYGATYKLR-KRWDZBQOSA-N 404.536 1.890 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2Br)CC1 1670465786 QMLVRYHZJRDCHQ-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE COCCC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1672399084 DZSBQLGCOGBJEZ-NLWGTHIKSA-N 405.520 1.604 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCOc1ccc(I)cc1 1681965661 MMBCWKXFSPFBRB-CYBMUJFWSA-N 402.232 1.744 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1 1683676066 JIRJWWVFMMTUCQ-IBGZPJMESA-N 406.490 1.519 30 10 HDEE C=CC[C@@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684246891 INCTXZABYMGYPF-LSDHHAIUSA-N 411.499 1.555 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1689824376 NZGSGLYVUDHBMR-VGOFRKELSA-N 410.522 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1689831625 OERCGAIPMLENMH-LAUBAEHRSA-N 405.543 1.499 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1689892996 RPNVDMOUERXANG-JQHSSLGASA-N 406.552 1.987 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCN1CCc2sccc2C1 1690082510 DQLSKAMMHCKTRC-UHFFFAOYSA-N 412.563 1.980 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690246500 VDFLNWWDEHKHHQ-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)c2cc[nH]n2)CC1 1690362825 QVVIFEAOKVYVEH-UHFFFAOYSA-N 421.465 1.235 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690455756 NHZGXSSYXKHKGP-MRXNPFEDSA-N 407.482 1.589 30 10 HDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(N)=O)C1 1690499874 CWEURVDWCWUUBW-GFCCVEGCSA-N 423.315 1.940 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1690671916 CFFWXMZWMREZFV-UHFFFAOYSA-N 418.571 1.655 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)C1 1690700512 TVQMXGGJYRBEEX-IXDOHACOSA-N 408.524 1.307 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ncccc1F 1692511930 FPSSPIIZOVTIMC-UHFFFAOYSA-N 401.446 1.769 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1697139760 XAUUQEAOUVVLCY-YNEHKIRRSA-N 423.461 1.743 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCc2ccccc21 1705574647 JHSSSSVDTDCNGG-RPWUZVMVSA-N 420.513 1.837 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705636274 DLNKHVQDHKZEQW-VGOFRKELSA-N 411.506 1.249 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705659282 QFTYTBAAXWOLPI-ZBFHGGJFSA-N 416.551 1.091 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705734552 SPYNJECDUBPSEQ-HKUYNNGSSA-N 415.542 1.428 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CC(=O)NC)CC1 1705904913 CDTSKNIPHHOECH-UHFFFAOYSA-N 424.549 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cccnn3)CC2)nnc1C(C)(C)C 1705939421 XEGPGNCQTZODDM-UHFFFAOYSA-N 419.555 1.293 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)cs1 1707761493 RLTYPHVDJLOOEZ-HNAYVOBHSA-N 414.491 1.863 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)C1CCC1 1709138566 JLSBLKPUWOCVKJ-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](F)COC 1710867411 LTLGXDCNEVYKFS-INIZCTEOSA-N 409.487 1.672 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CC(F)(F)F)CC1 1722342051 QVGFDXGDYFIHFD-UHFFFAOYSA-N 412.460 1.858 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1722343006 BKRQBECDIMNVCO-JOCHJYFZSA-N 411.506 1.359 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCOc1ccc2c(c1)OCO2 1722395601 KYLXFXFDWRNQDD-UHFFFAOYSA-N 418.457 1.949 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCCC 1722426599 KTDFDVIMYKLWTJ-GOSISDBHSA-N 413.478 1.403 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 1722436857 GJYXFFNIYBGIHN-SFHVURJKSA-N 405.568 1.516 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722529351 YQRQWKOIQAAYEL-FQEVSTJZSA-N 424.505 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722693322 KBMOQSFLODXZJI-FUHWJXTLSA-N 424.505 1.313 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1722732190 IFGJWEHWLZYYJC-KGLIPLIRSA-N 417.601 1.669 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCOCC1 1726402813 JKUCWKQZEWDVTC-UHFFFAOYSA-N 410.526 1.292 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1727623204 GXJNJLBJLWJSJN-KRWDZBQOSA-N 403.508 1.574 30 10 HDEE CCCOCc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1728240656 SUMHNCCIXPXVNL-MOPGFXCFSA-N 424.505 1.933 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1729584011 HQDAXJHBIOUYOH-INIZCTEOSA-N 402.524 1.848 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1730793068 FTNUUDVYOWJPOY-SFHVURJKSA-N 400.483 1.801 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(F)cn2)cc1 1731184112 AQCUDPAVLYFJIF-UHFFFAOYSA-N 412.450 1.634 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCCC2=O)CCO1 1731187500 RCOZGFDKKFODOZ-DLBZAZTESA-N 402.499 1.651 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1740552994 PYSQBWFQJSZATN-IRXDYDNUSA-N 407.584 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCN(C)C1 1740643529 NQHPWPURNJFMKI-QHCPKHFHSA-N 402.502 1.421 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC 1740657083 OULDTQDSJCSJMD-QGZVFWFLSA-N 407.540 1.264 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOCC2(C)C)C1 1740970182 GLEGICOXXGRTFS-QGZVFWFLSA-N 420.558 1.308 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1746674425 FXDCZRPRQFATIF-WHLCRQNOSA-N 407.540 1.581 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCc1ccccc1 1748635449 SRTPQWDKLURXST-KRWDZBQOSA-N 408.506 1.331 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1748671507 JVQZXTFIQVVNKP-ZWOKBUDYSA-N 411.506 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(C)(=O)=O 1748842660 QZBDMGYKRZRJJV-UHFFFAOYSA-N 409.471 1.718 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC1 1748956273 BFSHEBLSDJSRQI-MRXNPFEDSA-N 408.466 1.043 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048684 UKYPUOJIHLLVAW-UZLBHIALSA-N 421.567 1.387 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1749199492 TVJWSQQNIMNGCT-UHFFFAOYSA-N 424.505 1.645 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 1749456593 ILNNCGYXKJEISB-LSDHHAIUSA-N 418.523 1.856 30 10 HDEE COCC[C@](C)(O)Cn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749609944 JAXWJNZKRKKVBG-NRFANRHFSA-N 412.494 1.868 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCS(=O)(=O)CC1 1749653150 WYRBERYBDCHOQR-QGZVFWFLSA-N 417.535 1.357 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749676430 PYXNZHSYNFLTPL-UKRRQHHQSA-N 424.427 1.722 30 10 HDEE COCCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1749688670 KAZCNDOOVNSMHV-HTXNQAPBSA-N 402.499 1.935 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1750386057 GMCRZBXAVDACEO-QWHCGFSZSA-N 421.395 1.818 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F 1760280593 KZGLQKKJXDMYOT-LBPRGKRZSA-N 424.481 1.089 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760335673 PKXDLTJUFSPOSR-ODEMNLNRSA-N 416.526 1.173 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CC1 1760382636 VJTYTXPATUDOCV-HNNXBMFYSA-N 420.539 1.100 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760438267 CTHICLMSCJVQHT-CQSZACIVSA-N 416.555 1.936 30 10 HDEE C=CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1760472607 BMFLPHXTMDBBSD-UHFFFAOYSA-N 407.478 1.746 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760517265 HZGJOMQADMCFFF-KRWDZBQOSA-N 424.505 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(CCCO)CC1 1760555371 DSTGZVDZTWPSOZ-QGZVFWFLSA-N 412.556 1.372 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760566210 OHZQBMDLXMCTHK-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CC(C)(O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1760814766 AHWVCWPUQRRDKT-LJQANCHMSA-N 421.498 1.952 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCCC[C@@H]1C 1761238874 XTHODXHLIOBDDK-ROUUACIJSA-N 417.558 1.800 30 10 HDEE CCc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)no1 1764630491 FRWNVRJYHNDHPH-HXUWFJFHSA-N 412.498 1.719 30 10 HDEE CCN(CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1765276165 VNLFDJWHRXUSGT-WIYYLYMNSA-N 420.558 1.778 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1766244897 GDZAHRUAMJXQJQ-UHFFFAOYSA-N 423.477 1.422 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1770109863 FOUJAYXHUKIVFC-LJQANCHMSA-N 412.494 1.585 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772793234 LSRRRLUBKSZJSP-AWEZNQCLSA-N 402.403 1.321 30 10 HDEE CN(C(=O)C1CN(c2nc3ccc(F)cc3s2)C1)C1CN(c2nccnc2C#N)C1 1849268107 DLMLVJJKROONGJ-UHFFFAOYSA-N 423.477 1.880 30 10 HDEE COc1cccc(C#CCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 1850119260 QVYJYEZMDKLCGO-QGZVFWFLSA-N 406.438 1.987 30 10 HDEE Cc1noc(-c2ccnc(-n3cnc(C(=O)NCC#CCN4CCCCC4)c3)c2)n1 1850532635 IJDVLZKMCWYREW-UHFFFAOYSA-N 405.462 1.845 30 10 HDEE C=CCN1C[C@@H](C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)CC1=O 1850959005 FNHPPDNHZMCZCF-ZDUSSCGKSA-N 409.450 1.553 30 10 HDEE COc1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc(Cl)n1 1851279664 OWEYVWCLIQZPLH-UHFFFAOYSA-N 401.854 1.989 30 10 HDEE C#Cc1ccc(NC(=O)[C@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1852527489 ZPEPABHPFSYHBS-MRXNPFEDSA-N 404.488 1.888 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)C1 1852983525 KOFVSRLFCZYPKD-QGZVFWFLSA-N 406.508 1.242 30 10 HDEE CC(C)n1nc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)ccc1=O 1855019905 ZJHLXRTWSZLFRJ-AWEZNQCLSA-N 411.437 1.708 30 10 HDEE Cc1cc(N2CCN([C@@H]3CCN(C(=O)c4ccc(C)c(C#N)c4)C3=O)CC2)ncn1 1855397142 UCGUQDVPCURQSE-LJQANCHMSA-N 404.474 1.528 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1855607570 OVVDHTQOQNGWBD-OALUTQOASA-N 417.531 1.517 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2cccn(Cc3ccccc3F)c2=O)C1 1855725151 SKQUQORPLFABKD-MRXNPFEDSA-N 410.449 1.870 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(CCC#N)[C@H](C)C3=O)n2)cc1 1856189573 QWZGNJBZIVQMOT-IAGOWNOFSA-N 407.474 1.753 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856305058 VIDWNKJXVKNBAL-WOJBJXKFSA-N 408.502 1.880 30 10 HDEE COc1ccccc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856433861 YJMLHMIGMLDLJM-HNNXBMFYSA-N 406.442 1.714 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3COc4c(cccc4OC)C3)C(=O)C2)C1 1856857616 LCTQCZVKRPVJLX-RBUKOAKNSA-N 413.518 1.568 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1856867071 TUMHWTNOBSTVFR-ROUUACIJSA-N 401.507 1.784 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1=O 1856901159 AJXGDRLDPJBADU-KBPBESRZSA-N 412.439 1.016 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)c1 1856954328 PCBRYVZQSYMPRN-OALUTQOASA-N 412.490 1.598 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4ccc(OC)cc4C3)CC2=O)CC1=O 1857215344 LTKCMZMDHWYEGF-LPHOPBHVSA-N 411.502 1.463 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc(OC(C)C)c2)C1)[C@H]1CCN(C)C1=O 1857237204 WOXWNCBAJXXHKY-LPHOPBHVSA-N 414.506 1.576 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1857490997 XIJHYGOLUCZAOP-SFHVURJKSA-N 405.520 1.720 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)C1=O 1857507619 ZWZOKMDHQVNFFT-ZWKOTPCHSA-N 403.504 1.670 30 10 HDEE N#Cc1ccccc1N=c1nc(N2CCC(CO)CC2)[nH]c(N2CCC(CO)CC2)n1 1871730532 DCLNOUCUXGZZED-UHFFFAOYSA-N 423.521 1.326 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873593061 DBGZWAVLFNBRTG-UHFFFAOYSA-N 413.570 1.829 30 10 HDEE COc1cc2ncn(CC(=O)NCC(=O)Nc3ccccc3C#N)c(=O)c2cc1OC 1873869267 MLQQPGIMMKQRMH-UHFFFAOYSA-N 421.413 1.040 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3 1889660121 JNCZHTQRQQKCKV-CVEARBPZSA-N 400.548 1.715 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1890872350 MBMCUYIHOXDAEZ-AZUAARDMSA-N 403.548 1.786 30 10 HDEE C#CC[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 1984835942 ORPAIOZXAVVBOO-VGSWGCGISA-N 415.490 1.749 30 10 HDEE CC[C@H](C)[C@@H]1NC(=O)[C@](O)(C2=Cc3c(oc(C)c(C)c3=O)[C@@](C)(CC)C2=O)C1=O 2069682326 VBTZAIPQSNXYCM-MEJSHQAESA-N 401.459 1.735 30 10 HDEE CN([C@@H]1CCCN(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)C1)S(C)(=O)=O 2172779327 ATKUBTYBGSKJRO-GFCCVEGCSA-N 401.363 1.303 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174773435 YAGMZRHNQCUMNL-CVEARBPZSA-N 400.545 1.493 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C 2174781404 FQQVDLPXJHKPCT-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N(CCC#N)C(C)(C)C 2181053166 JPRSFUNHJXCQHU-AWEZNQCLSA-N 401.529 1.951 30 10 HDEE C[C@H](NS(=O)(=O)N1CCOCC1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625921 DNTSGORLTIEXBQ-LBPRGKRZSA-N 402.347 1.275 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CNCCN2Cc2ccccc2)c1 2205554599 ISCBLPDCOPALFT-QGZVFWFLSA-N 404.923 1.964 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243395275 UCNDRMSLCCCPKH-OAHLLOKOSA-N 407.320 1.289 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2243431307 FZZHUMUYBVGTII-XGUBFFRZSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247813248 JOJCPNBVRLHWIC-HXUWFJFHSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247827197 AVJKRNJIHVMIFW-ZIAGYGMSSA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2248035656 PLESAQZOVHKXSI-OAHLLOKOSA-N 421.303 1.325 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2248420575 WUWCPIMQBPDLPH-UHFFFAOYSA-N 422.331 1.890 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2258158329 JZISXULLMDEEKY-IAGOWNOFSA-N 408.476 1.335 30 10 HDEE C=CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2258180254 YJOPZEYLRVYBNC-MRXNPFEDSA-N 410.492 1.873 30 10 HDEE CSC[C@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267702720 KUBKPCZVGMRFDP-LLVKDONJSA-N 406.404 1.861 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H](C)CCS(C)(=O)=O 2281944784 FGNPJWPELONXST-NSHDSACASA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCCC[C@H]3CO)c2)OC1(C)C 2282333270 MIUQHONLIJNKRX-AWEZNQCLSA-N 401.359 1.973 30 10 HDEE CC[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343188 OQQGNSZOFCZYDG-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE COCCSCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282345143 FTALZPVYCOSHOZ-UHFFFAOYSA-N 401.359 1.644 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282419580 QBRFCNUWXKATJU-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE CC1(C)C[C@H](CO)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282420367 XYVAMSOTYUBGLT-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC[C@H](N)CN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282490854 LDBUQKJSZQJYEZ-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)Nc3nn[nH]n3)c(Cl)c2)OC1(C)C 2282492306 QOYWSLBAJMONRO-UHFFFAOYSA-N 420.087 1.607 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506497 STWTVHFSEXPZQQ-YDBLSZJJSA-N 421.415 1.576 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3[C@H]4CS(=O)(=O)C[C@H]43)sc2Cl)OC1(C)C 2282624088 KDTKZVAFNJXBJD-GDGBQDQQSA-N 417.745 1.474 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@H]4CCCN[C@@H]43)cc2Cl)OC1(C)C 2282840381 MXLSSEWBKPWBGJ-TVYUQYBPSA-N 418.777 1.729 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282841921 ZCPWQPPIVUVQDO-OLZOCXBDSA-N 401.359 1.938 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846113 DRXAIZSWJOLQME-RUZDIDTESA-N 424.375 1.016 30 10 HDEE CC1(C)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282851116 XSJUYYWYMGNVSM-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282868324 LVQXNJOKDLIGQC-CANCMXDXSA-N 401.359 1.421 30 10 HDEE CCN(C[C@@H]1CCCN1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282880982 PPPYFCMLOGRZSI-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406734 BSVKVQVXSRVUDU-LLVKDONJSA-N 403.331 1.578 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288894609 JZYVAGMUWVJGCU-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]3(C)CCNC3=O)cc2Cl)OC1(C)C 2288921843 HPFJRHRNLZZLNL-OAHLLOKOSA-N 420.749 1.258 30 10 HDEE CC(C)(C#CC(=O)O)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338848780 AFULSHWBHLVUQF-UHFFFAOYSA-N 420.487 1.629 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2365202853 QAJCWBSBAQKWAW-HUUCEWRRSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367782738 AUODGNQPPVKUHO-QAPCUYQASA-N 400.541 1.606 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)CC1 2367789784 UIMOPFBQGZPPBR-MRXNPFEDSA-N 400.541 1.307 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@](C)(COC)NC(=O)OC(C)(C)C 2367805456 BNPIIMJXFZVRNJ-YJBOKZPZSA-N 402.557 1.865 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806599 LTQHNURLEBDKPN-STJZUHDESA-N 400.541 1.483 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 2367807454 TUIWMARCZXHXRQ-QMTMVMCOSA-N 400.541 1.211 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H](C)CNC(=O)OC(C)(C)C 2367809600 OUULHAFULHMQIV-OAGGEKHMSA-N 402.557 1.457 30 10 HDEE C=CCSc1ccccc1NC(=O)CN1CCN(CC(=O)N2CCOCC2)CC1 28729324 ZTKFQIYLHCXXQB-UHFFFAOYSA-N 418.563 1.380 30 10 HDEE CN1CCC(NC(=O)c2cccc(I)c2)(/C(N)=N/O)CC1 40371466 NBHWZAYHPQXFOX-UHFFFAOYSA-N 402.236 1.232 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(c2ncccc2C#N)CC1 96993214 SIQBANGUEAYQLY-GOSISDBHSA-N 420.517 1.939 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](COC[C@@H](O)CO)OC[C@@H](O)CO 232321013 XFDRHYXXXLBRDQ-UFYCRDLUSA-N 422.559 1.559 30 10 HDEE COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254851609 PWFODRFQFCSELM-JYJNAYRXSA-N 410.517 1.471 30 10 HDEE CC(C)(C)OC(=O)N(c1nc(C#N)ccc1B1OC(C)(C)C(C)(C)O1)C1CNC1 309868278 ONZQSMTVTTZPRG-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cc1 428002161 VRINTPMDZVBDGF-DCCOYFSTSA-N 412.511 1.098 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 461137124 ASFWJCFVLSZMDM-SUMDDJOVSA-N 424.505 1.998 30 10 HDEE CC(C)(C)n1nnnc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 463425455 SVKPVGGGLNBAEF-HNNXBMFYSA-N 404.496 1.670 30 10 HDEE COCCN1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1=O 469691746 PRSWDCSWUURRFR-QGZVFWFLSA-N 402.495 1.511 30 10 HDEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 470835660 HOHXIBMNEOZEDH-QWRGUYRKSA-N 411.509 1.175 30 10 HDEE COCCOc1ccc(Br)cc1NC(=O)NCCn1cnc(C#N)n1 480768813 YBDXYCSBHGQQEK-UHFFFAOYSA-N 409.244 1.759 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCCN2CCN(c3ccncc3)CC2)c(F)c1 481067435 FMIUZMHBIWPFBG-UHFFFAOYSA-N 417.510 1.724 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N 489445704 ZKIGLZYNYGMSAU-CQSZACIVSA-N 415.393 1.999 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 501062063 ANWBGTNYHOIPQN-FQEVSTJZSA-N 400.571 1.975 30 10 HDEE Cn1c(CC(C)(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507837660 OIHRLHSRUXIRKO-UHFFFAOYSA-N 402.524 1.786 30 10 HDEE Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508171896 AQKCQUINFRUGHE-UHFFFAOYSA-N 423.502 1.479 30 10 HDEE CCN1CC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 521719732 KHTBJVOJWATOSY-KRWDZBQOSA-N 404.536 1.417 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3nccs3)cc21 526844633 KLZOJCGOFNRREU-MUUNZHRXSA-N 419.484 1.625 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 530382454 HSZGBILOSWNIAT-WBVHZDCISA-N 417.418 1.402 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C1=O 535659218 OKFMJVGFMMZWCX-GDBMZVCRSA-N 404.854 1.178 30 10 HDEE COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccccc1S(C)(=O)=O 543161697 OJLSJOUNRDIGTA-UHFFFAOYSA-N 410.473 1.788 30 10 HDEE N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c1 548578654 WNXBBYZVTFEXAT-UHFFFAOYSA-N 413.455 1.299 30 10 HDEE C[C@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(F)cc1F 561693725 RSUJRCKZBBXHJQ-CQSZACIVSA-N 413.428 1.800 30 10 HDEE N#Cc1cc2c(nc1N1CCN(CCn3nc4c(cc3=O)CCC4)CC1)CCCC2 585586993 GDLOGZVUVOZVFK-UHFFFAOYSA-N 404.518 1.700 30 10 HDEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccncc1 610530384 IYIAQIZKGFYWRF-INIZCTEOSA-N 413.503 1.773 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 730984712 HQEKOIRFDJFGRA-AWEZNQCLSA-N 422.482 1.117 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CCN1C1CC1 732894975 SAYSUXQVCKDRQD-CQSZACIVSA-N 416.869 1.007 30 10 HDEE C[C@@H](CC(=O)NCCOc1ccc(F)cc1F)/N=C1/NS(=O)(=O)c2ccccc21 742642467 ITSZEJMYNBIRBR-LBPRGKRZSA-N 423.441 1.977 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CN3CCOC3=O)c2)CC1 743098498 NSQNQGSZXVQALS-UHFFFAOYSA-N 401.467 1.091 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C 745050510 WMFLCLFVFZZGDT-GFCCVEGCSA-N 418.475 1.750 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc1C#N 747496308 KFXWMOLRRFFQQU-UHFFFAOYSA-N 420.425 1.471 30 10 HDEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751683621 ARRLMXZMZMNPDB-YOEHRIQHSA-N 422.526 1.922 30 10 HDEE CCN1C(=O)[C@H]2CN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CCN2C1=O 752332295 HYSXBFCCSKHRMY-WMLDXEAASA-N 404.430 1.192 30 10 HDEE C#CCN(C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CCCC1 757106997 KKNPWXBTKOJVNZ-UHFFFAOYSA-N 419.547 1.936 30 10 HDEE CC1(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCOCC1 758070679 UBMOHOQTPIRLFI-UHFFFAOYSA-N 412.468 1.830 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OCCOC)c1=O 758076933 XXNHXFXBNVYHFL-UHFFFAOYSA-N 422.506 1.440 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(F)(F)F 758269365 BOVSIWCPASSDDG-AAEUAGOBSA-N 407.414 1.179 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 768334652 BIHPKQYTVDDBRV-RUWSDDDDSA-N 411.380 1.288 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC23OCCO3)cc1 773826803 UTHZQZWCTFYJDV-HGSNWSKYSA-N 407.492 1.981 30 10 HDEE C[C@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 774205999 ICKMZFQITYYKJQ-WMLDXEAASA-N 413.499 1.901 30 10 HDEE C#CCN(C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 774242422 VKRGUSAGZZJXJL-GGPKGHCWSA-N 417.575 1.975 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2 782402636 PETPKAFSSFESGM-KRWDZBQOSA-N 424.251 1.991 30 10 HDEE COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 787884165 QMCOYKUOAKOGFU-XJKSGUPXSA-N 420.897 1.891 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCn1cnc(C#N)n1 795172161 KWQMXWCMZPXWGW-MRXNPFEDSA-N 423.502 1.759 30 10 HDEE C[C@H](C(=O)OCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)n1cnc(C#N)n1 798747299 GCAJUVFUMPLCOE-OCCSQVGLSA-N 408.374 1.818 30 10 HDEE COc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(C(=O)N(C)C)cc1OC 799837031 NRJXBJSSZYEYSL-UHFFFAOYSA-N 416.478 1.790 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)Nc3ccccc3)C2)n1 801078087 UMBINMPMBDRYGP-LJQANCHMSA-N 424.505 1.981 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 801949135 JREYWJYZNOWING-SWLSCSKDSA-N 417.466 1.921 30 10 HDEE COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802409718 YWOWDYAALQEZNT-FQEVSTJZSA-N 418.505 1.954 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1 803848119 GZMZIGAUKIRMMI-INIZCTEOSA-N 405.476 1.458 30 10 HDEE CN(C)c1c(C=NNc2nc(C(F)(F)F)nc3ccccc23)c(=O)n(C)c(=O)n1C 807959431 SSVKLLULRIYIAK-UHFFFAOYSA-N 421.383 1.558 30 10 HDEE CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916873166 PYDIVXDPGMOHFH-OAHLLOKOSA-N 406.483 1.223 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 1128570724 RNTRVHZWKLUQFB-UHFFFAOYSA-N 422.445 1.958 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(N2CCOCC2)CCOCC1 1129670388 YHNREOHCXZXZGK-KRWDZBQOSA-N 424.542 1.571 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1130216233 VYBKBNBLJSLFKJ-DJJJIMSYSA-N 408.476 1.599 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccccc1Cl)N(C)C)c1cc[nH]n1 1135461926 TXNVAFRIYLZOKM-INIZCTEOSA-N 421.885 1.766 30 10 HDEE CO[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1 1141145140 MACIGHUEKLYLEW-KRWDZBQOSA-N 415.515 1.879 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 1151284915 QDSLNSHQYOEEKX-UHFFFAOYSA-N 419.503 1.913 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 1152375778 ZXGCWILTQDMWHR-WCIBSUBMSA-N 406.435 1.975 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(Cc4coc(S(N)(=O)=O)c4)CC3)n[nH]2)cc1 1171804608 FJPXNXVKPUFIOZ-UHFFFAOYSA-N 412.475 1.511 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1 1175515372 ZBSWWHUMJJGNMT-UHFFFAOYSA-N 415.968 1.824 30 10 HDEE C=CCC[C@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1176771627 OOWBWOMKJABBGI-HRAATJIYSA-N 400.479 1.924 30 10 HDEE O=C(NCCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cccnc1 1184273746 WIBKFGJANSUAPC-UHFFFAOYSA-N 410.430 1.496 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1195568003 ODNNLJOXMVLONI-HNNXBMFYSA-N 411.474 1.143 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 1216926118 KZFLMBZYQPXTQF-UHFFFAOYSA-N 409.284 1.673 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)n1 1251295200 AQEGYGAWYJWDLK-UHFFFAOYSA-N 416.482 1.411 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1264779199 ZMVIYGPMTFUVRB-SFHVURJKSA-N 408.524 1.032 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1286390539 AQALMLCBYIYOJG-UZLBHIALSA-N 419.551 1.041 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nncn1C 1286403841 MIZHDLPQAGRKQQ-UHFFFAOYSA-N 419.489 1.991 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)(C)C)CC1 1286475711 HIJIANXTOPKKSM-UHFFFAOYSA-N 419.533 1.734 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286778394 CHNFMUCXPZVZEE-HKUYNNGSSA-N 409.494 1.781 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286788484 XIEJZSGLJCDXGT-ROUUACIJSA-N 404.559 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCCC2)C1 1286799219 UDEYVEZZNKWOII-QZTJIDSGSA-N 404.559 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1nncn1C 1286818972 VGQUEIZGNNOQDL-HNNXBMFYSA-N 416.511 1.344 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cs1 1290423292 JPGFQCMHGRHSAG-ZDUSSCGKSA-N 411.491 1.849 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1)C(=O)OC(C)(C)C 1292754636 PSEUMMMGUGBUCS-CQSZACIVSA-N 409.508 1.642 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 1295143849 CUCCPDKTUDRZHJ-WMZHIEFXSA-N 422.533 1.793 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC)CCN2C1=O 1295890923 SHWZXSJKSPBWHL-KRWDZBQOSA-N 423.477 1.326 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1298390141 AQMKKSQGECKZHY-NRFANRHFSA-N 407.478 1.992 30 10 HDEE C=CC1(CC(=O)N2CCc3c(nnn3CCOC)C2)CN(C(=O)OC(C)(C)C)C1 1298412217 NNQDYQAPSBXPGX-UHFFFAOYSA-N 405.499 1.622 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1)C(=O)OC 1299177584 BZIIUZZZMCGJHF-QZWWFDLISA-N 408.495 1.862 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 1300020830 NMKSXCSSDKHPRZ-OAGGEKHMSA-N 415.437 1.818 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCOCC2)c1 1300344060 FCPAZIYPHWWSMH-HNNXBMFYSA-N 412.494 1.832 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 1300396385 QGAUOAOSHINNIA-IRXDYDNUSA-N 420.506 1.772 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CC1 1300431508 XHQBMFOTNDQQAE-AWEZNQCLSA-N 405.499 1.829 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccc(F)cc1 1300506817 ZUCWLRSAEOTTKY-QFIPXVFZSA-N 409.465 1.634 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1([S@](C)=O)CCC1 1300673782 YXQRNOSOIMVSLZ-NDEPHWFRSA-N 401.536 1.651 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCCO2)CC1 1300703711 QKYNVSVKOFLWHM-GOSISDBHSA-N 400.552 1.958 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCCN1CCN(CC)CC1 1300802258 LFLROJXNPSMQEC-DENIHFKCSA-N 400.571 1.802 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CC2)CC1 1301096755 DDKCPQMRYPNIKY-HOTGVXAUSA-N 410.540 1.736 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1301273131 OFKZXWFUEXJZCV-AWEZNQCLSA-N 421.523 1.720 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C)s1 1301474850 INAMPKXXBJIVHY-UHFFFAOYSA-N 402.524 1.823 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1301481338 KFSBZZUVIQUVBT-LJQANCHMSA-N 422.533 1.933 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CC1CCC1 1301492371 HBDZXXVLDAOASM-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCC2(CCOCC2)C1 1301499264 AQDUARWBAOLIGO-KRWDZBQOSA-N 403.527 1.871 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1303426502 SWONWYWKOWJQIU-LJQANCHMSA-N 417.445 1.362 30 10 HDEE C[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305009705 KXNIBZYLBRPVMJ-FTFAEBDGSA-N 414.510 1.935 30 10 HDEE COc1cc(OC)nc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1306833370 DJGGFKHVLRPZNF-UHFFFAOYSA-N 408.212 1.290 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1316236297 AMYLKQBZHILROQ-SFHVURJKSA-N 422.493 1.728 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCOCCCO)cc1 1316529437 DXRLSNIFFDZALU-UHFFFAOYSA-N 424.505 1.322 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)C1 1324443641 KKLDFKLDRWXIDR-HNNXBMFYSA-N 402.538 1.587 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1358891022 YMGIHLHKVLMRNW-WMLDXEAASA-N 415.519 1.645 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1359008995 FVNPPFXVTYCBFG-OXJNMPFZSA-N 402.520 1.547 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1359063825 FGNVCBKRCBQISC-OXJNMPFZSA-N 422.599 1.755 30 10 HDEE C=CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1359221326 YANPBPAXZMJRPV-PMACEKPBSA-N 424.567 1.911 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359267858 UXTLHRTZIFJGJQ-HXUWFJFHSA-N 418.519 1.682 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1359302951 YYMAYMNHDBVSBE-HXUWFJFHSA-N 408.441 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1359333317 UITUAOIZWWWSGQ-IBGZPJMESA-N 408.499 1.678 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1360861287 FEWMJSQHHYYOTQ-HNNXBMFYSA-N 422.449 1.185 30 10 HDEE CN1CCn2ncc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)c2S1(=O)=O 1440873081 WTLDUELXNVLEAF-UHFFFAOYSA-N 407.455 1.564 30 10 HDEE COCCOCCN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1452686400 CFYPTAJANWKISP-GOSISDBHSA-N 404.486 1.331 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1454630985 DAVOHFWHRXIDEV-CYBMUJFWSA-N 420.470 1.082 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1 1455538575 HBHHMMRKTRCDAH-HNNXBMFYSA-N 407.492 1.337 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464920792 AWLNYLIYBIJNOZ-UYTDBDHRSA-N 418.494 1.809 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)cc1 1470640523 OMLYLQGMDNZRSZ-FQEVSTJZSA-N 415.490 1.655 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC 1471585814 YDIRNEGTJXPAPN-ZDUSSCGKSA-N 422.425 1.998 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)s1 1472227817 PJZYYDUDHKAYMS-QMTHXVAHSA-N 412.455 1.839 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O 1474838661 AXITZOZKHCQKMH-UHFFFAOYSA-N 415.581 1.465 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C1CCOCC1 1475515142 NVJQLWHENSVSHU-AWEZNQCLSA-N 416.293 1.942 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 1475618594 XBAWXRRVBHSHNX-UHFFFAOYSA-N 405.925 1.424 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC3CCN(c4cccnn4)CC3)C2)nc1 1478432824 DRTPKHITIVHMJQ-GOSISDBHSA-N 406.494 1.998 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1478902461 UFCOMMXJLTXWGC-UHFFFAOYSA-N 407.540 1.151 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1478909882 PJRNWUJCFRNSPV-UHFFFAOYSA-N 418.436 1.976 30 10 HDEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1504828079 RGVIQPIQJRRNTH-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCCO 1507517301 GNUFMLOCIASHDW-CNNODRBYSA-N 419.570 1.623 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1507570698 SXRXTKDXFMXGSV-UHFFFAOYSA-N 400.527 1.651 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507572650 RDQMILWLSVHVDP-OAHLLOKOSA-N 404.515 1.933 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1507593281 YJPKJYIRNCYOBO-ZWKOTPCHSA-N 406.552 1.847 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)C)C1 1507702463 KVEPKYFJRDZLAR-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCOCC1 1508071704 DWUBQKHDKHSHPA-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1508080043 IFDDMKIUKIIJIS-CQSZACIVSA-N 412.479 1.072 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1508422180 HVRYNVDVMJRKEV-GOEBONIOSA-N 422.468 1.814 30 10 HDEE CC(C)Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1nnn(C)n1 1509199861 FPXSULDJJZVCOH-UHFFFAOYSA-N 420.525 1.637 30 10 HDEE CC(C)NC(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1509726188 CIHSBUSMZJSSIQ-HNNXBMFYSA-N 423.525 1.447 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)cs1 1511546435 NRHVLXQZBNUUTA-INIZCTEOSA-N 417.539 1.525 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1517402502 SKZMJRLKDDIOIG-OALUTQOASA-N 413.413 1.774 30 10 HDEE CNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1517527937 PDHAQXMYIVRQCK-UHFFFAOYSA-N 405.462 1.739 30 10 HDEE CN1CC[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@H](c2cnn(C)c2)C1 1538615838 XLSAWMZUPOHYGJ-ROUUACIJSA-N 404.478 1.606 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1539175433 XZOXECSQZRSKOG-PMACEKPBSA-N 406.534 1.863 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539215945 LTFUQGIEYDYXSI-IEBWSBKVSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1539323722 JWZYYGSJCOMGOF-RTWAWAEBSA-N 413.566 1.992 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)C(C)(C)C 1539412598 AKBCCQOTYTVNMI-INIZCTEOSA-N 412.556 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCn2c(O)nc3ccccc32)CC1 1539481675 CVATUTHUHPHKHE-UHFFFAOYSA-N 421.505 1.562 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)C(=O)NC 1539596878 QIXOCRUMWNRQHV-WCQYABFASA-N 400.321 1.899 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539641452 MRFWSTDCXLXLAJ-VXIBKDFQSA-N 403.527 1.758 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1540071023 CDNLFJJNFCSKJV-JKSUJKDBSA-N 404.540 1.885 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540187565 QUSUBQKMJHQFAQ-FQEVSTJZSA-N 420.535 1.923 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1541118521 BZXMAYJDZGKEBC-QZTJIDSGSA-N 417.558 1.497 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N(CCC#N)CCN2CCOCC2)cn1 1542438448 GFGLSEXSKPZMKB-UHFFFAOYSA-N 418.498 1.189 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)s1 1543103182 OXQDSBFFUIBSSJ-YVEFUNNKSA-N 404.475 1.464 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1543734072 CZRODLNNYGAXRA-FZKCQIBNSA-N 406.483 1.825 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCNC2=O)c1 1544607986 LMXPVFZTAPAWJD-OSEFQUDUSA-N 406.508 1.744 30 10 HDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)N(C)C 1548372650 PWXUIPKGMCHMEZ-INIZCTEOSA-N 412.412 1.719 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(C3CCCCC3)s2)CC1 1562614023 NTPKJTHVTMVWQZ-UHFFFAOYSA-N 411.553 1.808 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1 1562623391 GEDXIWDTZNDHBD-CABCVRRESA-N 404.492 1.849 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2cccc(Cl)c2)cc1O 1585295257 BOAGESXCCKCGIX-BMRADRMJSA-N 401.810 1.488 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccccc2Br)C1=O 1586862529 JIBYWMQYOMIOIN-OCCSQVGLSA-N 408.252 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1587555272 DSQPAINBVOTPEX-OAHLLOKOSA-N 418.523 1.154 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN(C)CCOC 1588024532 GKUKBCKUQOUITJ-CALCHBBNSA-N 420.558 1.696 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588034887 NCVVIVBFJZJYLO-KPFFTGBYSA-N 407.584 1.724 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(C)(=O)=O)CC1 1588078946 JUFSHBQOHBCGSG-CYBMUJFWSA-N 409.936 1.516 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(C(=O)N(C)C)CCCC1 1588559829 KQYCTEXKBIYABT-UHFFFAOYSA-N 418.542 1.151 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1588660596 XOZVCASBUYPRIZ-UHFFFAOYSA-N 421.542 1.856 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)CCC(C)C)CC1 1588864747 JOHRQNQJJRQCRU-QFIPXVFZSA-N 416.570 1.343 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1589404027 FZTGXMCLGXRJSV-GFCCVEGCSA-N 407.334 1.562 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1589484128 RHTHVQPAORDIOM-WWMYMODYSA-N 419.526 1.393 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)c(F)c1 1594789930 IXPGYVXFOJLNJR-DLBZAZTESA-N 405.495 1.807 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595405776 XTTBVCSDVAHNSY-OAHLLOKOSA-N 402.524 1.390 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1nc(O)c2sccc2n1 1595562064 MOMBJMHJXKBFJN-UHFFFAOYSA-N 413.507 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(O)CCOCC2)C1 1595714673 PHRYNSIRPJJXQQ-QGZVFWFLSA-N 402.499 1.392 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595837737 CGZPWNHFBCIOJH-GDBMZVCRSA-N 420.583 1.831 30 10 HDEE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@H]21 1596684895 FOJMSHJVIKPIFE-DKKFBQAASA-N 410.474 1.771 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607498095 QRXSHJGLYWSOFP-ZDUSSCGKSA-N 423.857 1.240 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1612576099 SHLTXADOCINUCJ-GJZGRUSLSA-N 411.510 1.621 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@H](C)O1 1612915848 QUPVEUALGLLCIU-HOTGVXAUSA-N 424.505 1.712 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1614864838 SIEMVBKDPIVMEQ-JXXFODFXSA-N 403.506 1.936 30 10 HDEE C#CCN(CCC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1616159993 WQUUKBMJQDLLSU-ZDUSSCGKSA-N 414.911 1.808 30 10 HDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1619575643 BPIRXKIAKIUQJO-WMLDXEAASA-N 403.508 1.723 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1620161000 VXVIBJSSBBHUBD-INIZCTEOSA-N 422.555 1.574 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCNC(=O)C2CCC2)cc1 1620350410 JIDYHYIMTGTHJA-UHFFFAOYSA-N 407.478 1.059 30 10 HDEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 1620444943 QLIFNDUILDEHQT-CQSZACIVSA-N 415.943 1.980 30 10 HDEE Cc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c(OCC(F)(F)F)c1 1622260075 DMZYNSCWAQJGJB-UHFFFAOYSA-N 410.352 1.777 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1623676014 XOQVLNDNMKCUAC-MSOLQXFVSA-N 408.543 1.611 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)Cn1cc(C#N)c(O)nc1=O 1624324696 AKROYRCVUJARAT-CQSZACIVSA-N 405.455 1.116 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1Cc2cncn2C1 1624625958 VJJKRXRNRZIBGG-BBRMVZONSA-N 401.492 1.077 30 10 HDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)C[C@H]1CS(=O)(=O)C2 1627136488 JSPGQERXZWELRH-WMLDXEAASA-N 424.404 1.901 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)F 1628385635 CCJBMNIPJBDKNU-ZSNVJIKNSA-N 402.398 1.178 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1628796525 DVGJIQOLFSUXKO-CYBMUJFWSA-N 404.423 1.342 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(C#N)cc2)cc1 1629242454 FTOJUAICUVAVIY-UHFFFAOYSA-N 401.488 1.984 30 10 HDEE CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1629523436 XZCHLHRCKCPRKL-SJORKVTESA-N 412.531 1.115 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1630138596 PNSNICODDHOOLB-IERDGZPVSA-N 409.527 1.895 30 10 HDEE C=CCc1cc(CNC(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)cc(OC)c1OC 1631480047 RPLUCORWVVQUJW-UHFFFAOYSA-N 410.430 1.942 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 1632792652 LMFBDPUBZNXREQ-LJQANCHMSA-N 404.532 1.857 30 10 HDEE C[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)NCCF 1633922376 FANHWEAQWXLXIJ-CXAGYDPISA-N 418.469 1.983 30 10 HDEE COc1ccc(CN(CC2CC2)C(=O)CCn2cc(C#N)c(O)nc2=O)c(OC)c1 1633960086 IBTORKTWMAEBPP-UHFFFAOYSA-N 412.446 1.667 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@]1(O)CCOC1 1634919390 ZMHSZCUVYDSWFH-UTKZUKDTSA-N 400.479 1.136 30 10 HDEE C#CCOc1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1 1635499412 SHNXYIMWEQSHTR-HUUCEWRRSA-N 404.410 1.816 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc2oc(=O)n(C)c2cc1F 1637597202 HZCBOQRHIHWBMG-SNVBAGLBSA-N 418.406 1.448 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccncn3)CC2)s1 1639066137 LVPVHQQGRQWKTJ-UHFFFAOYSA-N 406.533 1.951 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 1639910032 QQSCJGJBNGRRLS-OAHLLOKOSA-N 418.560 1.281 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(c2noc(C)n2)C2CC2)s1 1641502775 JMDYGXMWNUHVPS-KRWDZBQOSA-N 410.521 1.888 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 1643888954 QBQLDHLWMOTFSK-MRXNPFEDSA-N 402.451 1.696 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(C2CCCCC2)c1C 1644190249 RISUCPGEVGZBGC-HDICACEKSA-N 411.506 1.967 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 1644249771 FBXGNOCMZHUHLG-OALUTQOASA-N 404.555 1.485 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(c3ccnn3C)CC2)ccc1F 1644775666 WWLHUHDJQQMDOI-UHFFFAOYSA-N 422.482 1.147 30 10 HDEE C=CC1(CC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1645617035 UYBKVJHMGBQULC-ZNMIVQPWSA-N 414.524 1.070 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)[C@H]1CCCOC1 1646159295 TYAHZSBKMXSNEE-HNAYVOBHSA-N 405.520 1.827 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)c1 1651172998 NAMGAGDIZYRTLW-OAQYLSRUSA-N 412.467 1.443 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ncc(C#N)cc1[N+](=O)[O-] 1651989337 MOPHOIXEAZLNIL-UHFFFAOYSA-N 408.418 1.526 30 10 HDEE CN(C[C@@H](O)CC1(C#N)CCOCC1)[C@H](C(N)=O)c1cccc(Br)c1 1653074802 OAHIKNHEGFTLOA-HOTGVXAUSA-N 410.312 1.979 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1653844164 APLGAXWARKTCQP-AWEZNQCLSA-N 406.501 1.003 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 1654488772 HOUFDKQITMTWKS-OAQYLSRUSA-N 409.534 1.846 30 10 HDEE C#CCOc1ccc(Br)cc1CNC[C@@]1(CO)COC[C@@H]2CCCN21 1658174361 CTGCAZATDNKLET-PKOBYXMFSA-N 409.324 1.776 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1665174809 LGJRAOHKVGJLQL-SNVBAGLBSA-N 414.452 1.265 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)nn1 1665714246 YBZGLCQHOQLVQF-SFHVURJKSA-N 404.902 1.990 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)C1 1669559775 CRFWFUOWQPZJST-GOEBONIOSA-N 418.469 1.726 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 1670200807 QYSBLHUKIQEYTE-UHFFFAOYSA-N 401.506 1.197 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cn(C)cc(Br)c2=O)n1 1670625063 STCOXKPWJVHGBY-UHFFFAOYSA-N 422.283 1.658 30 10 HDEE C#CCN(C(=O)NC[C@H](CN(C)C)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1683986511 NEJRSLCZYHOLBD-GOSISDBHSA-N 410.559 1.997 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684616678 OTLDNBJNNUDIMO-MAUKXSAKSA-N 422.489 1.155 30 10 HDEE COc1cccc2c1CCC[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1685745406 OSBRJXLNPJPBHQ-YRNRMSPPSA-N 403.504 1.522 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCS(=O)(=O)C1 1687259228 LLEGLNXYVIAZGV-GJZGRUSLSA-N 413.902 1.890 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1689913427 NZXKELYMFKDYTP-WBVHZDCISA-N 409.556 1.697 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689934039 HNZVAHBUHOGABA-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689986909 ZLOTWCULFRTDQG-DNVCBOLYSA-N 405.524 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)[C@H](C)CC)CC1 1690150853 XXIWFQIYKSWGLP-QGZVFWFLSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690167748 ORLBTFJWWGHEQH-IBGZPJMESA-N 417.560 1.722 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1690481757 PATJNTYFEGASNN-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2ccccc2)C1 1690674655 AFRKSBLJWHIJAL-GOSISDBHSA-N 408.506 1.697 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCC(F)(F)F 1692543706 KONXALUBVGDFOA-NSHDSACASA-N 406.434 1.441 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)CN(C)C1=O 1694120017 FWFIYAFANMSKIL-AOMKIAJQSA-N 422.537 1.863 30 10 HDEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1694990612 SGFFYKXCCYGQFN-NCVJHSOJSA-N 407.544 1.031 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1CCOCC1 1698139100 YMMPJMFXNKWNNX-KRWDZBQOSA-N 420.558 1.853 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1705544746 CLEJASZIVIQPLD-INIZCTEOSA-N 417.535 1.139 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(N(C)C)nc1 1705556347 PTZGLZKXLHPKQI-UHFFFAOYSA-N 409.519 1.848 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1COCCO1 1705572488 CUNSLWQUZXQTEB-IBGZPJMESA-N 407.474 1.635 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(F)(F)CO1 1705580970 QIHNHQBWTIZKEO-CYBMUJFWSA-N 403.389 1.503 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@]2(O)CCOC2)n1 1705631021 OLHMXTBANVMDHQ-OAQYLSRUSA-N 416.526 1.210 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](F)COC)CC1 1705646229 BXMWAPVNRCEAHU-MRXNPFEDSA-N 403.458 1.797 30 10 HDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705817137 DFPKDBCSOPFXCY-SFHVURJKSA-N 402.543 1.887 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705891613 NLEUGMRQDDZVSO-CABCVRRESA-N 402.524 1.960 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705902994 OAMQUCIIQRXAKF-HNNXBMFYSA-N 401.467 1.435 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOCC2(CC2)C1 1705905050 HRMJWBNZALIPAJ-UHFFFAOYSA-N 411.506 1.797 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1705950393 ZOWGPJUGIJGIHC-HNAYVOBHSA-N 409.556 1.516 30 10 HDEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1707690641 DXBRZLYDOBOZRM-FQEVSTJZSA-N 413.503 1.523 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC(=O)N1C 1708176833 GOLZGHVLPUYZKT-KRWDZBQOSA-N 405.506 1.746 30 10 HDEE CCOCc1nnc(N2CCN(c3ccnc(C)n3)CC2)n1Cc1ccc(C#N)o1 1710734329 ZDFQQZAAOVCCKL-UHFFFAOYSA-N 408.466 1.753 30 10 HDEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cc1O 1711853449 GAZJRHSDZGHIHY-QGZVFWFLSA-N 423.477 1.631 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@]1(C)COCCO1 1712459587 OEZNMGQLGIBWAL-FQEVSTJZSA-N 400.483 1.436 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1712510028 ALPDBXQWHHRIQD-MAUKXSAKSA-N 412.494 1.789 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1722430723 IMMMYVHSRRKIAK-HNNXBMFYSA-N 408.462 1.859 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N(C)C)CC1 1722450017 UEXZQSPHDDISEG-QGZVFWFLSA-N 400.571 1.927 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OC)C1 1722530172 ONUQIKJUIHRNQG-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722534299 MNYJKRQOFDYRPR-IAGOWNOFSA-N 420.535 1.883 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)CC1 1722563941 CYXFVDPCSGLSMA-GOSISDBHSA-N 413.544 1.024 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1722671441 STVSFLVGWWMDNG-ROUUACIJSA-N 401.559 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722727478 OSTPLTFRVBLDPR-FUHWJXTLSA-N 423.583 1.303 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1728640995 BBUCDNNSRLURTH-UHFFFAOYSA-N 409.494 1.257 30 10 HDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729162048 NNAYNJBVYJCWKI-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1730955911 NUKYTWMSDJEWAH-BDPHEOEISA-N 419.526 1.934 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1740556602 DQUNKEULWWCGQK-HNNXBMFYSA-N 417.535 1.659 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(C(N)=O)CCOCC1 1740654044 BPYGUGVWGMOXLW-UHFFFAOYSA-N 406.490 1.009 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2OCC)CC1 1740695266 LCDJSAJXLKRUKI-UHFFFAOYSA-N 405.506 1.881 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC)CC1 1740765344 UYOUJHLIQZORKR-ZACQAIPSSA-N 405.499 1.999 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC)CC1 1740839592 LPVQUBPADBGVCU-OAHLLOKOSA-N 416.569 1.017 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1)C1CC1 1740905939 AMELPBFOBCBKAV-UHFFFAOYSA-N 411.510 1.803 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(C)c2C1 1740958820 VREHMDYNBOLDBO-KRWDZBQOSA-N 412.469 1.542 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740962504 FXZWYNUAQYTBTK-MSOLQXFVSA-N 424.505 1.300 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1743208577 OMZJAIYYFNFOFZ-MRXNPFEDSA-N 412.494 1.558 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1746465553 YDVABROYRMTPGL-NQIIRXRSSA-N 419.549 1.642 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1 1748638005 HSCDZOMPZZAXJZ-WBVHZDCISA-N 402.543 1.913 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748787771 HTRJBNGXBICTHN-KSZLIROESA-N 421.567 1.446 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2)CC1 1748990399 HOWVNIFHSMZYCI-MJGOQNOKSA-N 408.506 1.452 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2conc2COC)CC1 1749286052 DHJBATFADMBVAO-CYBMUJFWSA-N 410.500 1.227 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1749671738 HLUCYUHFAJSGPJ-OAHLLOKOSA-N 414.485 1.402 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)o1 1750382138 CBIMMFIRHCRIMW-QGZVFWFLSA-N 414.466 1.503 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1750579856 FCYUHNAEUJNXMR-ORAYPTAESA-N 402.455 1.142 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1751672630 IBZPIPFDIMXXEA-MRXNPFEDSA-N 419.507 1.044 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1760188230 NWAYKCZUFHKPQY-KRWDZBQOSA-N 402.524 1.263 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1noc(CC)n1 1760201612 GJWZYOPVGIHFJE-UHFFFAOYSA-N 407.434 1.267 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ncccc1F 1760208463 TZTFZQDJKGQQDG-WMZOPIPTSA-N 413.453 1.688 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCc1nnc(C)s1 1760247562 GPBMIIOSQANQJO-UHFFFAOYSA-N 400.512 1.557 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCOCC1 1760340765 NPHIRYFAXCNDPJ-SFHVURJKSA-N 404.559 1.771 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](CC)C1 1760357689 LUYKNQMMQXIZRI-GVDBMIGSSA-N 412.556 1.777 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760449282 GAAWUFNSCQPQNP-SJORKVTESA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1760518687 ZEUSOJZFCGFWDC-LBPRGKRZSA-N 420.876 1.707 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CCO1 1767712154 FWDYYFUXXIDSAB-MSOLQXFVSA-N 408.462 1.461 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1767958767 BFOQJDKTDINBKB-BBWFWOEESA-N 406.531 1.431 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)C(C)(C)C 1770173276 OJAADOMJHYSMOW-PMPSAXMXSA-N 406.531 1.903 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCC(CO)CC1 1771564318 FPTJNTMJIYOLSO-CZIZESTLSA-N 423.477 1.075 30 10 HDEE Cc1[nH]c(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(C#N)c1C 1851309559 AGGZCVJPSVUTNH-SFHVURJKSA-N 400.504 1.783 30 10 HDEE COc1ccc(-n2nnc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2C)cc1 1851378516 XRVAFTXUJMSHJE-QGZVFWFLSA-N 406.402 1.828 30 10 HDEE COc1ccccc1-n1nnc(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)c1C 1852972984 BKIZACWRUODVSU-HNNXBMFYSA-N 406.402 1.828 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 1853354693 NJUQZKSDLXNRNB-UHFFFAOYSA-N 410.478 1.781 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)s1 1853613774 ZKEFZEJDXBNVCH-OAHLLOKOSA-N 414.531 1.972 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCc2c(C)noc2C)C1=O 1854059406 JXUKRRVVYNHLBJ-RTBURBONSA-N 416.522 1.850 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(Cl)ccn2)C1=O 1854100239 PKCIVWJVOLNKCK-IAGOWNOFSA-N 404.898 1.975 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCC(=O)c2cccc(C)c2)C1=O)[C@@H]1CCN(C)C1=O 1854166294 AXEHADCEULBGQM-MOPGFXCFSA-N 411.502 1.804 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@@H](C)S(=O)(=O)CC3)CC2=O)cc1C#N 1856096574 LZIMZRWXPFYCBT-CVEARBPZSA-N 403.504 1.364 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(Cc3nncn3C)c3ccccc32)CC1=O 1856414267 XZBIZWGMVKYHDS-HNNXBMFYSA-N 408.462 1.120 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C(=O)C1 1856421857 NSGFAPOCCJAHSM-LSDHHAIUSA-N 412.446 1.131 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1856538466 IPIVNXGDJHGNQT-QGZVFWFLSA-N 416.913 1.709 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3nccnc3N3CCOCC3)C2=O)CC1 1856547096 RYCGNPMTAPLDGB-QGZVFWFLSA-N 412.494 1.070 30 10 HDEE C[C@@H]1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1856987926 CJIKAMQIVISDQW-CRAIPNDOSA-N 403.504 1.127 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1 1856999652 QWJPHFRODWOCEU-RHSMWYFYSA-N 403.914 1.982 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857046670 UBCUUHWPFYTTRH-DOTOQJQBSA-N 400.479 1.188 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3c(F)cccc3F)C2=O)CC1 1857066154 HMENLKIFLAEIDK-KRWDZBQOSA-N 411.412 1.795 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)C2=O)CC1 1857274636 QADRONWVFJSPQT-GOSISDBHSA-N 416.428 1.400 30 10 HDEE Cn1cccc(C(=O)N2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)c1=O 1857300384 NGKVICMJKZFZHJ-IBGZPJMESA-N 404.470 1.684 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)CC3CC(=O)C3)C2)CC1 1857397752 PPOULOHGLJTLLP-MRXNPFEDSA-N 409.490 1.210 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)N[C@H]2CCCCN2[C@H]2C(=O)CSC2=O)c1 1866233300 XXQMEBCUDJYECU-DLBUCANVSA-N 402.472 1.573 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)[C@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)c1C#N 1866278661 JYLRDSGNFDZOAN-AWEZNQCLSA-N 403.446 1.361 30 10 HDEE C#CCN(CC#N)S(=O)(=O)c1c(Br)cc(N)cc1Br 1876536516 ZORRXEZKPGUSFN-UHFFFAOYSA-N 407.087 1.941 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)cc1C#N 1889391169 CHXODENBUNOSON-UHFFFAOYSA-N 405.506 1.371 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891266073 GUZJNLGGSMBYCH-ZIAGYGMSSA-N 412.475 1.320 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1902549094 XZOOOOYRYVMXFA-ZDUSSCGKSA-N 411.308 1.322 30 10 HDEE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NC(=O)C#CBr)CC1 1982298711 ZTWZNPWHQVROGV-QHCPKHFHSA-N 408.318 1.824 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC(=O)O)Cc1ccccc1 1984870671 ZSTDNLCSJCUNLA-SFHVURJKSA-N 417.506 1.996 30 10 HDEE COC[C@@]1(C(=O)NCB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 1985102971 OIRCRQKADQOTKD-LJQANCHMSA-N 414.308 1.387 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050656159 SCIBRGYPRKPUHQ-ORAYPTAESA-N 407.467 1.965 30 10 HDEE C#CCN(C1CCNCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233325 GDLYTBZEVVJGET-HXUWFJFHSA-N 421.494 1.028 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl 2118172227 ZFDCUPMVAXXNPO-STQMWFEESA-N 401.872 1.782 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CS(=O)(=O)N1CCOCC1)NCCC 2145729612 IELLSMQAGQKFCI-CVEARBPZSA-N 405.561 1.486 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CS(=O)(=O)N1CCOCC1)NCCC 2145729615 IELLSMQAGQKFCI-JKSUJKDBSA-N 405.561 1.486 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)N1CCC(C#N)CC1 2174781827 JJCFXBHNNLUNQH-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)CC1 2174783871 HPYITEHDFNSDRJ-AWEZNQCLSA-N 404.508 1.796 30 10 HDEE CCC[C@H](C#N)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174820116 UKSXGMBNNADTGI-LOKFHWFJSA-N 401.533 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12CC[C@@](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)(C1)OC2 2247806395 SKYHJRWADGDGFM-SFTDATJTSA-N 420.315 1.954 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247857394 GUDVFKRGICJLNJ-UHFFFAOYSA-N 420.319 1.809 30 10 HDEE Cc1c(C(=O)NCCN(C)C(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247914115 GJBVKERKXDVFFS-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE C=C[C@H](C)CCN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2260422222 ABIMDPNVVYCZGK-DOTOQJQBSA-N 412.508 1.928 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC([N+](=O)[O-])C3)cc2Cl)OC1(C)C 2267705165 FKNMYUKCILECNT-UHFFFAOYSA-N 408.694 1.350 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCSCC(=O)O)c2)OC1(C)C 2269035369 WYJVMCBXXJSLPS-UHFFFAOYSA-N 407.344 1.143 30 10 HDEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282064417 ZNRRCMQFOJEJFB-PHIMTYICSA-N 400.331 1.090 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282318110 YKVQCDQAFQRKSW-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE COCC[C@@H](COC)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282345905 RYICITFBNBRRHO-LBPRGKRZSA-N 405.347 1.377 30 10 HDEE C=C(CS(=O)(=O)N=[S@@](=O)(C(C)C)[C@H]1CCNC1)B1OC(C)(C)C(C)(C)O1 2282488974 BFRCWLNCGWNPGN-RMKBEBRYSA-N 406.379 1.742 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282499982 HBQPQEDWQNTVQP-YMXBGEKHSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H](O)C2CCC2)OC1(C)C 2282500633 ZNTNJFOVUGOYSE-CYBMUJFWSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@](C)(O)C2)OC1(C)C 2282503169 VYTXYSGYCFQYPX-QGZVFWFLSA-N 401.359 1.724 30 10 HDEE CC(C)(N)CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506601 UYKZELXRBPGZBJ-UHFFFAOYSA-N 403.379 1.379 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](O)C(F)(F)C2)OC1(C)C 2282842818 DHTJMZJYRRFIEG-LLVKDONJSA-N 409.285 1.189 30 10 HDEE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855476 FIHQDEFMLYBRDE-VXGBXAGGSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC([C@H](F)CO)C2)OC1(C)C 2282877802 XCGJPUUSESWEKR-CYBMUJFWSA-N 405.322 1.139 30 10 HDEE CC(C)(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404639 ZSSWAWXIBDLLKO-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284408112 SEKBNKDRZINRKW-DTWKUNHWSA-N 421.733 1.700 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2362507509 HRCUWWIOEGNWIK-NWDGAFQWSA-N 400.331 1.138 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365178760 LHJYJJHYQWVCOJ-XTDOFWJNSA-N 401.525 1.636 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCC12CC2 2365204735 OTORPXOZBMWREZ-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365210219 HPNNOOICOPGQND-NRTGNBEESA-N 402.557 1.585 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367788404 PCFCOFLKWZLJML-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367794549 ICZBIIGZLJJGMS-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE COC1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN(C(=O)OC(C)(C)C)CC1 2367802836 FOPPSMQHGIGJRK-HNNXBMFYSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367811725 LEVFWWGDBNYUQI-OAGGEKHMSA-N 402.557 1.599 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2367824610 VQSXFIQKSPIMFS-YJBOKZPZSA-N 402.557 1.553 30 10 HDEE C=CCNC(=O)CN1CCN(c2ncnc3sc(C(=O)OCC)c(C)c23)CC1 28623844 GQHRTUFSPXJKMN-UHFFFAOYSA-N 403.508 1.601 30 10 HDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 102756121 CZEAPCSDMKNVFX-GOBJLOIFSA-N 424.501 1.791 30 10 HDEE C#CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 111046978 ROJSVYHINPXACC-IBGZPJMESA-N 414.531 1.940 30 10 HDEE CC(C)n1cnnc1CN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 429284320 LPIMJTVQEFMBSJ-IBGZPJMESA-N 413.501 1.839 30 10 HDEE CC(C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432854357 MYQYAGSFSFVQMC-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C 460928035 AGULDICBHXIGKY-ILXRZTDVSA-N 415.585 1.517 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)cc1 466102186 KWIMBWFEIPMOJY-UHFFFAOYSA-N 407.474 1.903 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)N(C(=O)NCC)CC3)CC1 467724395 IFROZOKWLGLGPY-UHFFFAOYSA-N 414.510 1.230 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3OC)CC2)c1 481473470 NMTIIDJTCBDCJF-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE CC(C)N1C(=O)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C 482405369 YPQLBVFNSQOVPT-AWEZNQCLSA-N 406.508 1.083 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 505013650 MEIDWWDKIGXEIR-UHFFFAOYSA-N 424.505 1.231 30 10 HDEE CC1(C#N)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 507824168 IETYDSJDACDBIX-MRXNPFEDSA-N 406.464 1.900 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 508512161 XYAMWCMDDRQWHP-UHFFFAOYSA-N 419.551 1.994 30 10 HDEE C=CCn1c(COCc2ccccc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508910838 FKWLDRMILROYGS-UHFFFAOYSA-N 412.538 1.781 30 10 HDEE COC[C@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 518231537 IKUSEANINULQFZ-NRFANRHFSA-N 408.502 1.952 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 518405075 FQZHYEWXCBHDPJ-INIZCTEOSA-N 406.508 1.270 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](CN2CCCc3ccccc32)C(=O)O)cc1C#N 518659025 JZBYTYQFFURIFD-KRWDZBQOSA-N 400.460 1.446 30 10 HDEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(c2ncccc2C#N)CC1 522870830 IYHYXEDSQMCIAE-HNNXBMFYSA-N 412.454 1.443 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N3CCCC3)cc21 526842297 BTGCMJRIGZENKR-GMYLUUGSSA-N 404.488 1.540 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 542094053 RPWHVWDFWOOJQV-LLVKDONJSA-N 407.268 1.745 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1 544409846 JCKOVHQFXBUXRY-UHFFFAOYSA-N 424.442 1.921 30 10 HDEE CS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 544888310 NLWCITQNHIFQBO-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 549059563 RXXUAKHSLLIELK-UHFFFAOYSA-N 411.510 1.349 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4nccn4c3)C2=O)cc1 580809948 ZJTXQSPWEHHMTB-QGZVFWFLSA-N 402.414 1.062 30 10 HDEE C[C@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@@H](C)O1 586861910 CVZFBBJHHDXLLF-DAYGRLMNSA-N 402.470 1.414 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)nc3)CC2)c1 609659110 PPAAXRWPVWOCAL-UHFFFAOYSA-N 416.459 1.117 30 10 HDEE N#Cc1cc(CS(=O)(=O)Cc2cc(=O)n3cc(Br)ccc3n2)ccn1 610954616 JGSNJGWZTBTPHZ-UHFFFAOYSA-N 419.260 1.839 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727418884 ZTYREHPURKIQHF-UHFFFAOYSA-N 416.462 1.489 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CCN1C1CC1 732652107 NHYJOQKKSQWWEQ-AZUAARDMSA-N 410.518 1.893 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCN1C1CC1 732697856 MTGKTJQXODBEMT-SFHVURJKSA-N 403.508 1.125 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CCN1C1CC1 732895353 XRVSERWGYUAHCC-HNNXBMFYSA-N 403.280 1.537 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCSC)c2=O)cn1 735069122 QGSXBCBGMRNXOD-UHFFFAOYSA-N 418.588 1.998 30 10 HDEE CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 737305131 FMNXNAKCSHLPQQ-FOCLMDBBSA-N 406.826 1.320 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3nccn(C)c3=O)CC2)cc1 745945234 COHXFMWGXLICTC-GOSISDBHSA-N 408.506 1.546 30 10 HDEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cc1C#N 746704754 IAOCGKOZZDBUJZ-UHFFFAOYSA-N 422.894 1.998 30 10 HDEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 752443210 HVDMCPVLPLGBFT-ORIGZDJFSA-N 405.476 1.272 30 10 HDEE Cc1ccnc(C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 755220600 CZAPJIBCNKKQCX-UHFFFAOYSA-N 409.494 1.481 30 10 HDEE CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1 756177561 FYEGABBZERHCHG-UHFFFAOYSA-N 413.546 1.645 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)CC2(C#N)CCCC2)CC1 759004620 QMURMYRPZYSHPB-UHFFFAOYSA-N 400.545 1.542 30 10 HDEE CN1CCN(C(=O)Cc2cccc(NC(=O)C#Cc3ccc4c(c3)OCO4)c2)CC1 762233665 XEVUQSZUHQBNMN-UHFFFAOYSA-N 405.454 1.722 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 763996882 GGDMUEFQWBIAID-QGZVFWFLSA-N 420.554 1.470 30 10 HDEE Cc1ccc(C(=O)C(C#N)=c2sc(=Cc3cnn4ccccc34)c(=O)n2C)cc1 764982789 YBRFFSYCZOWGMY-UHFFFAOYSA-N 400.463 1.789 30 10 HDEE O=C(CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)OCC#Cc1ccc(F)cc1 771346303 UUCBVJKHHVQAAO-UHFFFAOYSA-N 406.391 1.997 30 10 HDEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)s1 772903851 BLXUKRZCMJNPMC-UHFFFAOYSA-N 413.572 1.858 30 10 HDEE C#CCN(C(=O)NCc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 774180430 RNOAQQUNDSENAE-AWEZNQCLSA-N 404.410 1.960 30 10 HDEE C#CCN(C(=O)NCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCS(=O)(=O)C1 774218116 GYDJKDNPUPKXHT-CQSZACIVSA-N 408.867 1.722 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2 780280003 BVUPOBOHLOBDQR-HNNXBMFYSA-N 418.494 1.721 30 10 HDEE C[C@@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)NC1(C#N)CCC1 787677515 JCYLLSQPAKNCOK-SECBINFHSA-N 405.354 1.483 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)[C@H](C)CSC)CC2)n1 799378079 YEYPDZDTWDNOKR-QGZVFWFLSA-N 420.579 1.729 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 801959933 MZSIGAWKOAMRRB-FPOVZHCZSA-N 406.933 1.981 30 10 HDEE COCC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 810166093 LEPVXLUMSIDNSO-OTUOZYHDSA-N 412.512 1.672 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2CCNC(=O)CC2)c(C(=O)OCC)c1C 811921802 HZPFGNSHGRTEKM-UHFFFAOYSA-N 423.491 1.336 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccc(N)cc3)n2)o1 1084117772 RLPSUSABBVUCFT-UHFFFAOYSA-N 415.483 1.577 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1126329657 FKENCMAMHBZIDY-UHFFFAOYSA-N 400.523 1.986 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 1137649032 MTCPUHFLFQOSAE-CYBMUJFWSA-N 421.372 1.406 30 10 HDEE C#CCOCCNC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1137795405 HQZYCQMHHGMBPK-QGZVFWFLSA-N 401.463 1.844 30 10 HDEE C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1144428989 IZTDETYXDLAWGC-DZACUYDNSA-N 418.494 1.688 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1144551657 GICSPNSNVSSWAW-SJLPKXTDSA-N 411.499 1.566 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1152710396 OFPRHCKGGBHXCQ-ZHRRBRCNSA-N 419.522 1.269 30 10 HDEE Cc1ccc(C(=O)NCc2nc(CN(C)C)cs2)cc1S(=O)(=O)NCC#N 1155670222 IRMWCSYEDJRURP-UHFFFAOYSA-N 407.521 1.245 30 10 HDEE Cn1nccc1[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1156567236 WDKPKVYLJDIFCS-AEFFLSMTSA-N 406.446 1.860 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2Br)CC1 1157009650 QVHQBXHDABRNKK-UHFFFAOYSA-N 404.264 1.703 30 10 HDEE COCc1ncc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(N)n1 1159247190 HZUQIRWMCKLPLC-UHFFFAOYSA-N 403.483 1.472 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C#CCO)c2)CC1 1159432605 HYWAFFQXAYXUSY-QHCPKHFHSA-N 419.525 1.536 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1)C(=O)OC 1161364939 KYWCDMMTAIMVEG-RKVPGOIHSA-N 406.504 1.648 30 10 HDEE C[C@H](CC(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1171787316 AEFVPYVYTHJFCL-MCIONIFRSA-N 421.519 1.740 30 10 HDEE N#CCCN1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1171874876 XTFFCKISIDCZFY-UHFFFAOYSA-N 419.279 1.493 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc(N(C)C)sc3C2)cc1 1176705180 IJNMZQVSXIUANN-UHFFFAOYSA-N 406.533 1.872 30 10 HDEE Cc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(-c2ccc(F)cc2)n1 1176710396 PCHPWLPWZULQQT-IFXJQAMLSA-N 417.466 1.129 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1178207043 FZQKGKLUFNXSHH-GOSISDBHSA-N 413.518 1.309 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3nccn3C(F)F)CC2)c1 1191978978 ZSWROYLXNVAUNO-UHFFFAOYSA-N 416.432 1.725 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1197301317 HPPZTKXBRSLARF-LLVKDONJSA-N 400.298 1.810 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OCC)ccc2Cl)CC1 1205435879 QPMFVUFTFBHIOT-UHFFFAOYSA-N 400.888 1.356 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)oc1Br 1213831636 CIMMEKICYPAYNN-UHFFFAOYSA-N 419.297 1.547 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)nn1 1221867992 IRCHYMVHYFXQBZ-SFHVURJKSA-N 411.510 1.161 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c([N+](=O)[O-])c1 1252108333 ZCPMWHQMFBOCOS-UONOGXRCSA-N 421.479 1.522 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 1252391973 DVSJDDKCJSIRFI-RBUKOAKNSA-N 420.535 1.922 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1286273969 LSNFYCRJZOSJSX-DZKIICNBSA-N 403.508 1.350 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCNS(=O)(=O)CC 1286297101 VBXFZZJHVOWSPQ-HNNXBMFYSA-N 407.515 1.795 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286311349 HGESRFQOBDOZRI-HXUWFJFHSA-N 400.483 1.349 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286356888 CNICWJZJHVUFKN-IAGOWNOFSA-N 409.490 1.994 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1286361905 UXDJMDSZGXJRRS-IRXDYDNUSA-N 410.588 1.326 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N(C)C 1286398203 HNLCAJZRCZQNJD-UHFFFAOYSA-N 406.490 1.698 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)cc1 1286407160 QGLATACULXVPDD-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1286424018 QSIOPAAADSQLHZ-QHCPKHFHSA-N 419.485 1.658 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1286449868 JJCIWVXTUDERQM-GOSISDBHSA-N 413.526 1.094 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286466649 LFUBKBDNJQBSSK-SIKLNZKXSA-N 411.506 1.688 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1286527106 AHMVXPXJVQCDRD-HXUWFJFHSA-N 403.450 1.293 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286706349 NGUBMJMFIKEEHK-CYBMUJFWSA-N 405.421 1.777 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286711963 VGLQGGKCVKPSCG-QGZVFWFLSA-N 411.510 1.919 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286712221 UNXHDQCIXVEAMI-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCSCC1 1286786799 IUOXNFWCSCGECQ-UHFFFAOYSA-N 409.519 1.986 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 1286796281 KJIRRVRKIZUUNL-UHFFFAOYSA-N 424.505 1.974 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2CCS(=O)(=O)CC2)C1 1286814827 WWGGEDQTRDMBBS-IAGOWNOFSA-N 410.540 1.736 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286815851 ATIOXCRZASPCMI-HIFRSBDPSA-N 413.544 1.537 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286958597 AJWPWUSLJNOBEW-OLZOCXBDSA-N 420.495 1.261 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCC(F)F 1292055208 HIVXIWRTFQNJIR-QGZVFWFLSA-N 402.421 1.920 30 10 HDEE CCC(O)(CC)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1292294110 RWKCGJXZJMOMLH-JXFKEZNVSA-N 407.515 1.599 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nc(Br)sc1Cl 1293033145 UHTYLEASMANQGT-YFHOEESVSA-N 405.661 1.815 30 10 HDEE Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1C(=O)NC(C)C 1293244589 HIIPISQKKLTFKU-UHFFFAOYSA-N 414.487 1.922 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc([S@@](C)=O)cc2)s1 1294450845 NWZLXTBDTKCEJL-RUZDIDTESA-N 412.558 1.809 30 10 HDEE CCN1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1296079400 FWWLPOOIPLKKSI-FUHWJXTLSA-N 409.542 1.838 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1296605629 HZWYALNPRCVMMF-UXHICEINSA-N 422.505 1.534 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 1297335260 NQRIJYYCEBXQHX-JEZWAEDTSA-N 412.483 1.307 30 10 HDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1297572891 NOSIMERTUVUMIO-KRWDZBQOSA-N 409.494 1.464 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1298857478 BCPGEZNQEAKJEE-KRWDZBQOSA-N 406.487 1.693 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1299689434 UJZFDURHRFFJIQ-NERIXLHVSA-N 406.483 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC 1300322947 WCXVOKWYKCODBE-CYBMUJFWSA-N 409.537 1.162 30 10 HDEE C#CCCCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300339559 OXMPJYNVSXOLHV-GOSISDBHSA-N 423.583 1.836 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCOCC1 1300629653 CLQYVBACVSOQCA-UHFFFAOYSA-N 402.524 1.375 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300997143 PYZGZNDBTKRFLD-UHFFFAOYSA-N 417.554 1.899 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1301037258 RPZOKTZFFRBELI-JKSUJKDBSA-N 410.950 1.919 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1301805326 GPMPWZQBRARQHB-HNNXBMFYSA-N 421.498 1.885 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCOC1 1301959508 HWQUNLSZFAVLHG-CVEARBPZSA-N 407.482 1.943 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OCC 1303111098 BNGXSILATHOVSM-MRXNPFEDSA-N 410.492 1.804 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOc2ccccc2[C@H]1CO 1304007681 GCEQDYAVNURISH-KBXCAEBGSA-N 415.471 1.180 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1304317906 CMLKMHLETDINMH-MOPGFXCFSA-N 419.507 1.526 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1305531690 KOKBPUHERRUABV-NVXWUHKLSA-N 411.510 1.878 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C[C@@H](O)c3ccccc3)CC2)cc1 1307571071 ABAUMLZMCGSOFY-TZIWHRDSSA-N 415.515 1.349 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 1308914607 OIAJMYRSYHACIL-IAGOWNOFSA-N 414.572 1.107 30 10 HDEE CN(C)c1ccc(C(F)(F)F)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1310034348 DPTXIDKUEABTNX-UHFFFAOYSA-N 410.356 1.727 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CCO[C@@H](C#N)C1)OC2=O 1313317324 KMOVHFWRINKUIT-GJZGRUSLSA-N 422.482 1.253 30 10 HDEE CSC1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1316412474 MLSOAVIDHPVCIF-HZPDHXFCSA-N 406.556 1.686 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1 1323974521 ILTDPDKFPKMCJD-MGPUTAFESA-N 408.499 1.542 30 10 HDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C)[C@H]1CCS(=O)(=O)C1 1325781537 RXKOQYQLERECEC-AWEZNQCLSA-N 409.309 1.871 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(/C=C/C(=O)OC)o2)c1 1355984383 QYWXPZOCALALFU-CSKARUKUSA-N 422.437 1.953 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC(=O)N1CCOCC1 1358952725 VSHMPCZBTOSOSR-UHFFFAOYSA-N 411.506 1.792 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1358969378 NXNNGTLCNFGESD-MRXNPFEDSA-N 424.530 1.685 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358993626 SIVGEMUYYJNTMK-ROUUACIJSA-N 419.551 1.264 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1359006702 GSTAGNDZWHKDDR-OAHLLOKOSA-N 418.523 1.113 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2)CC1 1359035461 UXZOPMRWAQUKFS-IBGZPJMESA-N 408.506 1.236 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)CC1 1359036154 OOGZTSMUIOMXBO-SJORKVTESA-N 423.608 1.221 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC=CO2)CC1 1359042966 AWAHYOGWACFXKZ-SFHVURJKSA-N 406.490 1.999 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359048496 SHYAFIZHUWJXLX-HXUWFJFHSA-N 418.567 1.279 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1359321204 BXKASXIOMCEZPC-INIZCTEOSA-N 416.526 1.877 30 10 HDEE COc1ccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1C#N 1438856232 RQNKPZHJGBBNRG-HNNXBMFYSA-N 402.451 1.261 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@H]2CSc3ccccc3O2)cc1 1452177241 DPHDONUSLIVYBE-HNNXBMFYSA-N 417.512 1.896 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1453885942 TUCBTFCNWJSLND-MAUKXSAKSA-N 411.911 1.635 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C2 1455039369 RIZGPLKJCZQHND-YJBOKZPZSA-N 410.861 1.469 30 10 HDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)cc1 1455762514 CRIUPZPKCMZJRR-UHFFFAOYSA-N 416.441 1.966 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1455925592 LAUZNTKVLFBIPA-UHFFFAOYSA-N 422.425 1.793 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(COCCO)CC1 1455927605 QOYBVARFTGPSQO-INIZCTEOSA-N 400.516 1.598 30 10 HDEE COc1cc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)ccc1C#N 1459858150 VSMKVZGBFLXTGS-CQSZACIVSA-N 405.501 1.784 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]2COC[C@H]2O1 1460334527 PDILNAQUYFCWCS-BRWVUGGUSA-N 404.536 1.335 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F 1462893111 BLVYEPVOSQESGL-SPSFWMDKSA-N 410.514 1.202 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnc(Cc4ccccc4F)s3)C[C@H]1CS(=O)(=O)C2 1462999155 PPGNIGCTTRZGMD-UGSOOPFHSA-N 405.476 1.883 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1463454064 PIMICCPDMMYDLO-MQJDWESPSA-N 411.343 1.925 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1OC 1464941981 LRBAETXFXPNWFQ-OAHLLOKOSA-N 407.423 1.502 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCNC(=O)c2cccc(O)c2)c1 1465993706 VQQUTKYVGSRXPL-UHFFFAOYSA-N 414.483 1.739 30 10 HDEE CO[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 1468220342 FQLXSHJKFHKWBY-CRAIPNDOSA-N 401.488 1.599 30 10 HDEE COC(=O)[C@]1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC[C@H](C)CC1 1469944062 RCTNHWATXCBTKG-HJGJAMNPSA-N 407.492 1.649 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1470032154 FEROXRPEMPYLQO-ROUUACIJSA-N 412.494 1.152 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCCc2ccc(C#N)cc2)C1=O 1470075067 RMSULJOIJDJVFN-SFHVURJKSA-N 414.506 1.980 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc(C(C)(C)C)ncc3C2)cc1 1470402069 ALYWLYQUJAIMCA-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nnnn1C1CC1 1471259142 KHZJXOYOSSPXCO-UNAQBBMFSA-N 415.498 1.972 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H](CCO)[C@@H](CO)C3)C2)C1 1472395168 YDFWIPYTMANIEM-WHQJKMTKSA-N 407.511 1.223 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 1473536804 GNBRYHYKMQRJQO-PSCUFVCCSA-N 420.554 1.792 30 10 HDEE Cn1nnnc1C1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1478476733 POLQOEDLEZBKNY-UHFFFAOYSA-N 410.482 1.756 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1497912289 HDAOESKOYAIBOQ-NRFANRHFSA-N 412.469 1.808 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1499986610 HJHPIUHQWFETKZ-INIZCTEOSA-N 423.521 1.695 30 10 HDEE CCOCc1nnc(N2CC[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503046148 WXMGDPSWEPQGQZ-AMGRQBIBSA-N 402.499 1.823 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1COCCO1 1504944916 WBAGEJKIMXCURP-VQIMIIECSA-N 415.494 1.926 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1507534453 TUFHBVLWFXIABG-SNVBAGLBSA-N 412.372 1.142 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCn1cc(Br)cn1 1507669353 KUFMTCVEYZFLCG-OAHLLOKOSA-N 417.311 1.904 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1507698855 RTJNZUOUKOJJKH-MRXNPFEDSA-N 418.519 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1508072471 IEFTZNJXQICJPG-OAHLLOKOSA-N 421.505 1.804 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1508089057 DEOWZSCAFVDMIB-MRXNPFEDSA-N 415.494 1.738 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cn[nH]c2)C1 1508114119 JUPPARTXWSYEPV-PXNSSMCTSA-N 402.499 1.677 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCSC[C@H]1C 1508143540 IAYDUDCOCYUSFN-OAHLLOKOSA-N 407.565 1.806 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1508147381 JLUCLFJNRGUZEJ-CQSZACIVSA-N 406.512 1.074 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1508402810 VVAYXFRIBVOXOX-LJQANCHMSA-N 423.521 1.506 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1508415018 BISWMGDBAVWNSQ-QKKBWIMNSA-N 410.478 1.790 30 10 HDEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCC[C@@H](C)C1 1512177308 AVGLYACCLJAEDA-FGTMMUONSA-N 415.542 1.250 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1snnc1C 1517561174 HNRFYKXUVWHETH-UHFFFAOYSA-N 410.507 1.987 30 10 HDEE CS(=O)(=O)CC1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1519516843 IUHZNOCKQWRFGA-OAHLLOKOSA-N 421.548 1.484 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCSCCCO)c1 1521069685 RFNXPFARIRVUDW-UHFFFAOYSA-N 414.535 1.634 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)COCCc2ccc(Br)cc2)CC1 1530235464 MHDVIGIWILLFOE-UHFFFAOYSA-N 407.308 1.996 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccccc3NC2=O)ccc1F 1530298094 ZDLYBOMKHXVYNH-QGZVFWFLSA-N 417.462 1.973 30 10 HDEE Cc1cn(-c2ccccc2Cl)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308359 BSNPNMXEYLXIII-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539015747 RELJQGLBWSLOLK-QWHCGFSZSA-N 409.537 1.289 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(OC)CCOC1 1539177080 YKVANMGRQWFGPO-NRFANRHFSA-N 411.510 1.327 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1539201655 BLGWTSIMAMDIGH-AWEZNQCLSA-N 404.483 1.700 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539202145 GIRSEOLYWDQBCP-ZWKOTPCHSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223238 ZRFSZJFLUPAIBN-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ccn(C)n2)CC1 1539453589 MQHSFNRBIHLEBO-UHFFFAOYSA-N 405.506 1.415 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(C)c2)CC1 1539482580 VFRXKKNUFVAWOZ-GOSISDBHSA-N 411.510 1.267 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCCOC2)C1 1539489808 NXHFTKQUILWDBQ-HXUWFJFHSA-N 403.552 1.887 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1539751525 OSHAMCRDDQBLNX-MRXNPFEDSA-N 405.499 1.844 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)CC1 1539874745 OVNWWRSIGQRGBY-AWEZNQCLSA-N 420.539 1.743 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccccc1)N1CCCC1)c1cc[nH]n1 1540530698 MJQMZSHKSOMQAZ-GOSISDBHSA-N 413.478 1.647 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1545545890 GQDUJEGUFWCBBJ-CABCVRRESA-N 411.514 1.257 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CC=CCC2)CCOC1 1547894001 OXXHHCRZHLKAHC-VQTJNVASSA-N 404.490 1.634 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCCCO 1555108028 QICVHUKSPUFNHM-MRXNPFEDSA-N 401.467 1.757 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@@H](Cc1ccccc1)C(=O)OCC 1556204883 GYGBBPJYCKZNBY-KRWDZBQOSA-N 410.536 1.893 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1557975243 ANDZHVHYLZAKOS-AWEZNQCLSA-N 413.482 1.328 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 1559307659 ACDMOBMUHPMLDV-QFIPXVFZSA-N 402.410 1.710 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)nn1 1561675523 OTSBLPQSRIEDFZ-UHFFFAOYSA-N 417.488 1.233 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1564703013 BKBKOOFHCHRRGQ-RLLQIKCJSA-N 419.497 1.876 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)c1ccc(Cl)cc1 1564997396 JEFWADCJNUSYST-KRWDZBQOSA-N 413.927 1.708 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(Br)cc1 1564999875 PKFYYJDKEVFGFJ-CABCVRRESA-N 414.325 1.847 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588053673 HBJITLOELATXPI-GOSISDBHSA-N 416.551 1.768 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1588083723 IWTPTLATMRZWCL-CQSZACIVSA-N 420.564 1.589 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H](C(C)C)N1CCOCC1 1588620587 YEZODFUVIZNYTG-IBGZPJMESA-N 400.527 1.716 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 1588766643 YONQIIDBTBUWAV-UHFFFAOYSA-N 402.472 1.749 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1588985354 RAZMFHUGECVUKR-XNHLSEOASA-N 408.568 1.966 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCOC2)C1 1589383478 VOSPYJJZLXTTNO-MRXNPFEDSA-N 409.288 1.583 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1589494892 OQQSFNKMHAWATF-JYJNAYRXSA-N 413.544 1.096 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589529638 ORSDSSVQTASWNU-OWLYRPNTSA-N 400.483 1.566 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NC)c1 1595290515 GPPINZVCZFZQLW-UHFFFAOYSA-N 407.478 1.782 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCCO1 1595577148 KACRUOWMORDVRQ-CQSZACIVSA-N 418.523 1.187 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCOCC2)CCOC1 1610903228 MZTUIMLRTQEHPF-PXNSSMCTSA-N 405.499 1.474 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1619615661 HXRDTFYOHXUJAA-WBVHZDCISA-N 400.458 1.893 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 1620507316 HRZPHTUUOYIYDX-UHFFFAOYSA-N 424.415 1.573 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1625990270 TUBFQDNZMDWVFB-IRXDYDNUSA-N 424.542 1.337 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1626550013 VQMYXIYBBQDKLM-IAGOWNOFSA-N 423.558 1.632 30 10 HDEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)n1 1627136391 GUHPCJGWWXGCTH-MEDUHNTESA-N 401.410 1.775 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1628632481 MUVNNJSHDUSMCO-CVEARBPZSA-N 405.882 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[C@H](CC#N)C2)C1 1629174581 IAOGHGBNAATRDD-SPYBWZPUSA-N 411.524 1.420 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1630987204 HPPCIUSQHMMUBJ-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE CO[C@@H]1COC[C@H]1NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1630992677 UIIWMQJCCFBYKQ-KZNAEPCWSA-N 401.463 1.923 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)[C@@H]1CCCCO1 1631670440 RCZOWIQBIIJDGY-QFBILLFUSA-N 405.520 1.969 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1635701324 OGFZYJWYAGGKIN-OAHLLOKOSA-N 418.500 1.107 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1638023319 HCHMRXUEJZVYMY-QRVBRYPASA-N 402.516 1.394 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1=O 1642000365 HJILHRUQUXPLEX-SFHVURJKSA-N 404.486 1.270 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(=O)OC 1642415059 KROHLJFKBSZHLD-HNNXBMFYSA-N 420.443 1.260 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CCCN1C(=O)OCC(F)(F)F 1643519584 DJVDWYSIAXJIKV-RQJHMYQMSA-N 402.238 1.824 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)c1 1644348799 LQCPHMXDZCYDPO-QAQDUYKDSA-N 414.487 1.508 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@@H](C#N)C3)CS(=O)(=O)[C@@H]2C1 1645042598 GFAFFGRQFVNFMM-ZJIFWQFVSA-N 411.524 1.419 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1649560583 GNEHERQISNVGNP-MHTXLSKPSA-N 415.519 1.865 30 10 HDEE CO[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)C[C@H]1O 1653612643 CKPNSWDGIQJSNC-RTBURBONSA-N 400.454 1.794 30 10 HDEE Cc1nc(COc2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cs1 1653759752 IPAQKILJYLVIOR-UHFFFAOYSA-N 423.454 1.862 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655669922 NRDUSBBUWXDTPI-VQIMIIECSA-N 422.526 1.044 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC 1659644884 OSMQKBSJQKKWCY-LLVKDONJSA-N 407.897 1.168 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)C1 1665457061 FQBMSYGWPHGLCI-CYBMUJFWSA-N 404.410 1.868 30 10 HDEE COc1ccc(-c2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)cc1 1678766196 CIUSLBPKRSWTQL-UHFFFAOYSA-N 419.441 1.996 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@]4(CCSC4)C3)C2=O)cc1 1680025097 UBBMCZSNMSEILM-FXAWDEMLSA-N 400.504 1.971 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)C1 1683989083 UUODWGTUABOBHZ-POAQFYNOSA-N 414.554 1.505 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c(O)nc1=O 1684017341 SXZMOKNRNQFNCC-UHFFFAOYSA-N 424.505 1.997 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1684354451 UVKYAUTUDSSSOB-OAQYLSRUSA-N 420.517 1.686 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)C1CCOCC1 1687122628 CAMZNWQGCFDIEW-PKOBYXMFSA-N 423.510 1.706 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1689825798 CXKDMIAUNNPXPR-JSGCOSHPSA-N 408.528 1.643 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1689860866 JHKYSBDJRIQJHT-GOSISDBHSA-N 420.561 1.958 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1689860926 LFZZIYGCFVVFES-BZSNNMDCSA-N 416.570 1.746 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCN(C(C)=O)CC1 1689969001 LECAWQZZWZQQII-UHFFFAOYSA-N 405.506 1.845 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1689987902 FAFPUCIMBCJYSR-MRXNPFEDSA-N 401.492 1.234 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2conc2COC)CC1 1690146606 SALBOQNNPJUVGR-UHFFFAOYSA-N 414.510 1.625 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(C)(OC)C1 1690159810 NECCXPSDCRRMBD-UHFFFAOYSA-N 420.560 1.940 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690292656 JSPDUFYVBOEBCV-MRXNPFEDSA-N 424.571 1.084 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690308269 HTTBATBQLAKUBJ-UHFFFAOYSA-N 411.510 1.823 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690361053 FWAUJBKZRYXSQD-IBGZPJMESA-N 415.586 1.697 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1690643493 CKVOLELOJGCCEU-ROUUACIJSA-N 420.558 1.021 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690721143 YURQTLAYOUNPGP-CABCVRRESA-N 419.463 1.055 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)N(C)C 1692213263 HEOZGGYBCVYDCA-UHFFFAOYSA-N 413.501 1.902 30 10 HDEE CC1=CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1693287170 JHXAXLHWHPPKNC-VLGSPTGOSA-N 413.482 1.099 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)n1 1693429691 FVHJQHNEDUYFAH-LJQANCHMSA-N 412.542 1.479 30 10 HDEE CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1695555704 XQDXKIDARBNDGP-RMYFCYLKSA-N 400.483 1.687 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1=O 1698074417 CMHBTASYWYRJCL-GOSISDBHSA-N 424.505 1.538 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCSCCCO)CCN1C1CC1 1698493307 LDWYOYPPQMUPND-AEFFLSMTSA-N 420.583 1.464 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705490267 GJPDPCMKUCHIEK-QRQCRPRQSA-N 422.489 1.455 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705523474 YTIBRYAKSUGOMA-KRWDZBQOSA-N 400.527 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705550056 AEBCVORKVYVUFW-WBVHZDCISA-N 415.523 1.009 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N(C)C 1705593109 GLJWOGUNNSQKGQ-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCC(=O)N(CC)CC)CC1 1705637948 SCCBLBUZOQSMNI-UHFFFAOYSA-N 412.542 1.082 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1705663766 DDDCHXLIIOGELY-UHFFFAOYSA-N 418.567 1.119 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1705812271 VHKZPMXFASZKJE-HNNXBMFYSA-N 422.559 1.363 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)C1 1705904423 OYWHDRMVWAETCU-KRWDZBQOSA-N 413.478 1.708 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1706743915 HOBWFSWEJVIUJG-JTQLQIEISA-N 419.291 1.356 30 10 HDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1712577441 UNASPJSUZIKRQB-HZPDHXFCSA-N 420.514 1.037 30 10 HDEE C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1713133204 PIHWSUDTHWABLG-NHHWGVFUSA-N 401.551 1.781 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1722289820 AZSAABYLPJEQGW-ZDUSSCGKSA-N 419.507 1.289 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1722358857 MUEMKDBJDLVLCI-KRWDZBQOSA-N 415.519 1.175 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722368424 RIZDDLVNRGXBNH-DLBZAZTESA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](C(C)C)N1CCOCC1 1722383069 HEBQPQVJGJQOSK-OAQYLSRUSA-N 406.534 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCC 1722396227 HDHYVRGPOYTHKT-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722415380 CUFNUTKYLYRPNO-OAHLLOKOSA-N 404.515 1.773 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@H](O)C1 1722427126 HJSLEDBTNKKZJU-OKYOBFRVSA-N 406.527 1.639 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC[C@@H](C)C2)CC1 1722439041 LSUPJJXNVHVYCS-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1722640835 RZVXNKMTBSRQAM-XJKSGUPXSA-N 412.450 1.401 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722701357 OBMMDKOYUSPHBD-HXUWFJFHSA-N 421.567 1.328 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1722861637 AHIUBACMFRXYLU-AOMKIAJQSA-N 420.521 1.998 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1722864482 ADVNOXNWOZRJNI-JLTOFOAXSA-N 407.482 1.678 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1729197505 RCNWJXZUQMAGLU-UHFFFAOYSA-N 400.464 1.724 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1730921934 BWMBQACFCDZWKK-NRFANRHFSA-N 410.478 1.339 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740578594 JKKSABOLKXTNLS-DYESRHJHSA-N 403.527 1.826 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCCC 1740599854 GLXNYLMFLRAZDV-DLBZAZTESA-N 410.588 1.612 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740616819 HPHDFDLGRDLVNM-IAGOWNOFSA-N 407.565 1.578 30 10 HDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)OC 1740642975 AVZVDGIHSHXCGO-OAQYLSRUSA-N 420.561 1.751 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1740664017 DJNXLKFDGHLFJW-UHFFFAOYSA-N 424.548 1.243 30 10 HDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740736343 IFGIMICNWOZYJL-LBPRGKRZSA-N 406.350 1.780 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740808345 HYQVAQYBMVGUEJ-CYBMUJFWSA-N 413.935 1.197 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)NC(C)C)CC1 1740827720 IGIIZJMZCOIDNE-UHFFFAOYSA-N 421.571 1.624 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740877107 YNWZXNJNWUIUQK-IRXDYDNUSA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnccn1 1740955040 KLZRLZBXBXQNFS-UHFFFAOYSA-N 421.461 1.445 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1742152521 DDTYCVHOZUQZDD-LAUBAEHRSA-N 412.469 1.962 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1746732991 CYPFNCZQRUIFJB-FXAWDEMLSA-N 404.515 1.145 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1747704172 DTOAUBHVNAPDJU-KRWDZBQOSA-N 410.478 1.279 30 10 HDEE CN(CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1747960143 ACOJJENMOSEVHT-HNNXBMFYSA-N 409.416 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748671719 NCGMHEYZFZGLRH-SOUVJXGZSA-N 401.433 1.503 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1748725211 WBSVZAMLISNKMK-UHFFFAOYSA-N 422.537 1.629 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1c(C)noc1C 1748784096 ARDOAKZXIXWCFC-UHFFFAOYSA-N 413.507 1.961 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748817009 CGLAMNKOMJKARK-OAHLLOKOSA-N 407.565 1.803 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1749102158 JVOINXJCRKFJLS-ZDUSSCGKSA-N 421.361 1.952 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749132917 FUFQDHMABSLNRG-MJGOQNOKSA-N 418.542 1.396 30 10 HDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749276782 RZJBRSFVMUUCHL-UHFFFAOYSA-N 406.918 1.254 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749652831 UGBDXLZPKXIDPQ-JPYJTQIMSA-N 422.533 1.839 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1749796415 MDLVUZDTGOXWLQ-PBHICJAKSA-N 411.466 1.047 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1750031307 YIGVYJFHLCNPFG-CQSZACIVSA-N 418.523 1.471 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cc(CO)nn2)cc1 1750382421 FSUOLWKQPPZUSF-HXUWFJFHSA-N 421.440 1.433 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1760188421 PCJQOZRWLKEYBG-CYBMUJFWSA-N 406.537 1.244 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760189222 SRAQMZNASQXJRL-OAHLLOKOSA-N 405.549 1.872 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1760199929 NGSLXJUUUGSJTR-KRWDZBQOSA-N 412.515 1.994 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1760206349 XHOKNBLPZNUZPL-UONOGXRCSA-N 418.441 1.220 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCOC2)CC1 1760251783 HRCOGXSFAJEAEO-QGZVFWFLSA-N 402.543 1.378 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1760259083 GLAYJSVMWFYVOP-UXHICEINSA-N 400.571 1.802 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1760322105 OBOYJSFPLWRNGN-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760449827 WLYKXKPTDZPZTN-QZTJIDSGSA-N 400.483 1.712 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC 1760492387 RANRJXMTVAMQAN-UHFFFAOYSA-N 419.507 1.444 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@]2(CCOC2)C1 1760524554 AXYXTWDEXYCTQX-JOCHJYFZSA-N 411.506 1.475 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1760524883 MFVMAMCSWXTNED-INIZCTEOSA-N 400.527 1.275 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCCCO2)C1 1760543060 MMEQSXGUFXKWBJ-RCCFBDPRSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760552805 BBIAOYIEXRDLQA-HXUWFJFHSA-N 417.535 1.508 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)COCCO1 1762226392 PVEYEEGLYQIULA-FQEVSTJZSA-N 404.515 1.742 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1763272473 AAHBWOMLBKZUQG-BEVDRBHNSA-N 402.499 1.070 30 10 HDEE CCN1CCN(CCCCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1765561932 GUTUZSCYHGJXKV-LJQANCHMSA-N 424.553 1.487 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCOC[C@H]1OC 1771281686 QFBASLFOXMCGAH-SFFUCWETSA-N 407.515 1.649 30 10 HDEE COC(=O)CC[C@@H](CC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 1772789633 WDLGYYASWPWDAT-LBPRGKRZSA-N 420.418 1.977 30 10 HDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1850466558 PDZXLRXKCAOVKD-UHFFFAOYSA-N 408.499 1.284 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1 1851293560 ZOKOWNXUXHRWNA-INIZCTEOSA-N 420.473 1.449 30 10 HDEE COC(=O)[C@H]1CCC[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)C1 1852674963 XVTABOGSOWLTPY-DLBZAZTESA-N 400.479 1.598 30 10 HDEE N#Cc1cn(CCN2CCCN(Cc3c(F)cccc3Cl)CC2)c(=O)nc1O 1852693053 GGWQRBBNIFREFF-UHFFFAOYSA-N 405.861 1.821 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1853658796 CFOISYZHDLNYJX-ZWKOTPCHSA-N 415.559 1.891 30 10 HDEE CN1C[C@@H](CN2CCC([C@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)CC1=O 1853848953 KOZZKABMJLKNQI-PXNSSMCTSA-N 408.502 1.737 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)[C@H]3CCC(F)(F)C3)C2=O)C1 1854336176 MFEQYMOMBKXUTO-XJKSGUPXSA-N 404.417 1.969 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nccn3CC)C3(CCCC3)C2=O)CC1=O 1854421058 YIXIHIXBYWVYJT-KRWDZBQOSA-N 413.522 1.421 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1854751054 FZPCJEXFTCVPQH-YJBOKZPZSA-N 423.510 1.614 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)CCc3scnc3C)C2=O)CC1=O 1854861883 BNSTZFHPUPSEAP-HZPDHXFCSA-N 404.536 1.478 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3coc(C)n3)C3(CCCC3)C2=O)CC1=O 1855174824 AZKKCMUREUHVFV-INIZCTEOSA-N 400.479 1.501 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C)cc3C)[C@H](C)C2=O)CC1=O 1855217953 DUUQXAFFGLDSQA-MSOLQXFVSA-N 411.502 1.580 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(CCn4cccn4)CC3)CC2=O)cc1 1855336687 DTNQSUHRNXJYBU-IBGZPJMESA-N 406.490 1.061 30 10 HDEE Cc1ccccc1N1C[C@@H](C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)CC1=O 1855854810 XDESKFVBMPMNKB-MOPGFXCFSA-N 408.502 1.959 30 10 HDEE CCc1ocnc1C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855961298 JQYWDPLWSSWVFS-MRXNPFEDSA-N 408.462 1.457 30 10 HDEE C[C@H](C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856326263 DPPOBNQVPRPSPP-CVEARBPZSA-N 412.519 1.323 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C)cc3C)C2)CC1=O 1856902068 ICGDUAKOCOUDAS-JKSUJKDBSA-N 408.476 1.186 30 10 HDEE COc1ccccc1C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857066074 GAFFSXMYPPFHFO-GOSISDBHSA-N 405.458 1.525 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)C1 1857309748 KYEDJAFRGAJVKS-SJORKVTESA-N 404.511 1.997 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540975 MJJDVINAZLTMDB-KBPBESRZSA-N 400.483 1.688 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc2c(c1)OCCO2 1874472302 XVVWYWWCYOBEKJ-CIAFOILYSA-N 419.507 1.739 30 10 HDEE N#Cc1cc(C(=O)N2CCCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)ccn1 1889635685 GOKCDJMMGJBICD-UHFFFAOYSA-N 416.367 1.762 30 10 HDEE CCN1C(=O)CN(CC(=O)NCC#CCOc2cccc(N(CC)CC)c2)C1=O 1890859490 FYNSPBAAGZJJGK-UHFFFAOYSA-N 400.479 1.315 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3nccc(N4CCOCC4)n3)C2)c1 1891178935 SKLGAUOKMFZKPJ-QGZVFWFLSA-N 408.462 1.511 30 10 HDEE CN(C(=O)c1ccc([N+](=O)[O-])cc1Br)C1CN(c2nccnc2C#N)C1 1891713968 ZUSCAHKYBSWALD-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1895876623 WPKFATSGCIPCHU-RMEBNNNOSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 2116274616 QBRJNDRSJCUGGC-DGCLKSJQSA-N 401.510 1.516 30 10 HDEE CC(F)(F)[C@@H]1C[C@H]1CS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2166416310 FEUGWZHFDZEGSV-DTWKUNHWSA-N 409.289 1.292 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174784045 JSEFYFACRHGYOK-HUUCEWRRSA-N 401.529 1.729 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2174790063 YDZIIXWWSMIYSD-GWQKEKGPSA-N 414.509 1.749 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 2187581711 CLJRDYNVIFGVTB-STQMWFEESA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C1CS(=O)(=O)C1 2197512375 YWFUHGIZSDCHJK-LLVKDONJSA-N 413.418 1.229 30 10 HDEE Cn1nnc(Br)c1[C@@H](O)[C@H](N)C#Cc1ccccc1Br 2235720336 CFADZPGKVUQQQE-PWSUYJOCSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243395240 SZRZJMSSGJQSPN-HUUCEWRRSA-N 408.304 1.810 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243422922 OGTGRSRYZHHPDA-UHFFFAOYSA-N 419.234 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674162 GCBMCDDQVGWDRY-GJZGRUSLSA-N 408.304 1.498 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247860737 AITDCJNYHXBPEC-KBPBESRZSA-N 422.287 1.601 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCNC(=O)OC(C)(C)C 2247919186 SRLZEYYRANWGHR-UHFFFAOYSA-N 424.307 1.388 30 10 HDEE CC1(C)OB(c2cccc(NS(=O)(=O)C3CC4(C3)OCCO4)c2F)OC1(C)C 2277960521 ITOFNZZGEWMRNE-UHFFFAOYSA-N 413.276 1.772 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281805945 FQJRVFFTZCEPGP-QWRGUYRKSA-N 402.347 1.336 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2282056844 YCKNCWDMESEWRQ-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282312340 VGGHTCLUWVCZCZ-RUZDIDTESA-N 405.322 1.124 30 10 HDEE CCN1CC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282313326 JTLJYMOHAVHJIU-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC(C)[C@@H]1NCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335888 VXIBNQQHHFNLOS-KBPBESRZSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CCC(O)CC3)s2)OC1(C)C 2282341086 NKWIPWHVFKEIMU-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343351 DPQJADAITUJELA-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE COCC1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282415321 GKQXIUHVSDKXCA-UHFFFAOYSA-N 401.721 1.906 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H](S(C)(=O)=O)CC[C@H]1C)B1OC(C)(C)C(C)(C)O1 2282491241 KGBWBMBDCGAAIL-KGLIPLIRSA-N 407.363 1.401 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCNCC3)c(Cl)c2)OC1(C)C 2282499275 OFUMCCCGDULPGL-UHFFFAOYSA-N 400.737 1.623 30 10 HDEE CC(C)(CCO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833154 GBYVTLXFXRTMEH-UHFFFAOYSA-N 404.363 1.270 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)O1 2282837363 DLYVFEHSOMCVLG-RYUDHWBXSA-N 402.347 1.381 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282846862 PZQXWZYXVYOGNW-VWLOTQADSA-N 401.359 1.423 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@H](N)CC2)OC1(C)C 2282848640 QBWVVOUBOVWTQJ-STQMWFEESA-N 400.375 1.986 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1O 2282850925 VENHLQGZNPSCPV-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857568 JWMHODGUXKIPGN-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC(C)[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282865212 QUWNCPCQSJNPTE-OLZOCXBDSA-N 401.359 1.997 30 10 HDEE C[C@@H](O)[C@@H]1CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876130 YOVSNJQODDTPAT-RISCZKNCSA-N 401.721 1.783 30 10 HDEE CCC[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284402210 HPGFFIUVVODYPQ-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2csnc2CO[C@@H]2CCCN(S(C)(=O)=O)C2)OC1(C)C 2285598778 DWXJYYIRMJLIQG-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE COc1ccc(C=C2Oc3cc(OCC(=O)NCC(=O)O)ccc3C2=O)c(OC)c1 2297475473 OKHIJCOAXRAONC-UHFFFAOYSA-N 413.382 1.900 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1 2330718137 MOQDXPMDVKVUHT-UHFFFAOYSA-N 418.523 1.766 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2342036979 JAFYHCBFYMQKFN-LSDHHAIUSA-N 403.566 1.918 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)C#CC2(S(C)(=O)=O)CC2)C1 2342087417 CKOKTPVZEXGHFT-PXNSSMCTSA-N 419.499 1.952 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1(F)F 2361790186 KMSAAIHLQOGSSG-WFASDCNBSA-N 408.471 1.701 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1 2365201624 AYMUAFNORVXZQF-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCC[C@H]1NC(=O)OC(C)(C)C 2365213111 VDGMPAXKAKSZHA-CLCXKQKWSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 2367826235 WSIONHSWSWMABI-RKVPGOIHSA-N 402.557 1.599 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cc(O)ccc2Br)n1 2370335723 VOJZTEHEQIFWFR-UHFFFAOYSA-N 423.076 1.835 30 10 HDEE C=CC/N=C(\SCC(=O)O)N1CCN(/C(=N/CC=C)SCC(=O)O)CC1 20478062 DWUJQQUZVUVTGH-IQRFGFHNSA-N 400.526 1.324 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)NCc1ccccc1 20915441 PIUBVKZOEWRXHV-LPYMAVHISA-N 411.491 1.942 30 10 HDEE C#CCNC(=O)[C@@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 26140464 WHECYRDSHVLRPZ-CYBMUJFWSA-N 403.426 1.150 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 238838188 HFIWOHXQFWEACH-OAHLLOKOSA-N 415.475 1.282 30 10 HDEE Cc1oc(NC(=O)[C@H](C)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 303475684 OTCCWGADJNIBQY-INIZCTEOSA-N 415.538 1.971 30 10 HDEE COCCCS(=O)(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427287080 DRMZPUYBESXISZ-UHFFFAOYSA-N 409.489 1.873 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)[C@@H]3Cc4ccccc4O3)CC2)o1 441049919 WRQPVWMVAWRVSC-YWZLYKJASA-N 409.490 1.827 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO1 461138752 GGHGQBKETJSHRY-JKSUJKDBSA-N 419.493 1.829 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1 465817769 PBXZKARZKGHNEB-UHFFFAOYSA-N 421.501 1.975 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCOCC(F)(F)C(F)F)CC1 468754896 AGJRQJNZIWDCDX-UHFFFAOYSA-N 409.405 1.782 30 10 HDEE COC(=O)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Cc1ccc(O)cc1 481017499 CUOMGROIGTWARV-MRXNPFEDSA-N 406.435 1.854 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nnc2ccccn12 481252493 FYQUDNVCULNZQW-CQSZACIVSA-N 412.475 1.017 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC)CC1 485042045 OYYQDVRSMBNWFQ-UHFFFAOYSA-N 403.435 1.324 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 487167073 UIHCYTNDCDRYOL-ZIAGYGMSSA-N 413.430 1.916 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 492433534 BSNVIVUNEKUUJT-OAHLLOKOSA-N 404.898 1.139 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 502538942 GWKYVIRBCUGNES-FQEVSTJZSA-N 421.519 1.781 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCNC(=O)c3ccccc3)C2=O)cc1 504714538 CYPXKRONZACDOA-SFHVURJKSA-N 419.441 1.309 30 10 HDEE Cc1cccc(-c2nnc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2C)n1 507809252 QSVUCSSNEXTABR-UHFFFAOYSA-N 423.502 1.568 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 508929450 HSROSZCJDFTQSS-OAHLLOKOSA-N 413.507 1.767 30 10 HDEE N#Cc1cccnc1N1CCN(CCN2CCN(c3ncccc3C#N)CC2)CC1 513744132 HJVZGOWZGSOXKT-UHFFFAOYSA-N 402.506 1.164 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C[C@H]1CCCO1 514309342 CZFGSHABGHQMKM-CQSZACIVSA-N 415.540 1.060 30 10 HDEE C=CCNC(=O)CN1CCN(CCc2nc(N)c3c4c(sc3n2)CCCC4)CC1 537866903 FBJCQVNYWCEFOU-UHFFFAOYSA-N 414.579 1.615 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccccc3F)n(C)c2=O)c1 540697136 XQTPOFWOWMBIAO-UHFFFAOYSA-N 409.442 1.684 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O 541190904 NQXYZOSOHAXVKG-CQSZACIVSA-N 409.418 1.039 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 549297047 GWIHQNCNKXJADA-CQSZACIVSA-N 403.508 1.592 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CCN(C(=O)COc3ccccc3)C1)CC2 549349503 VXZIOOKHBCPPQM-GOSISDBHSA-N 418.453 1.243 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(Cc2ccccc2)nn1 549733593 MNQUMVAXOAYJKO-AWEZNQCLSA-N 410.459 1.504 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558347939 BTRRGQLYXTYRJC-UHFFFAOYSA-N 421.519 1.761 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@](COC)(C(=O)OCC)C1 570809031 HBQPZSAIHSWIEE-JXFKEZNVSA-N 408.499 1.738 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 576176679 WZEURTGQJLIONM-LJQANCHMSA-N 402.458 1.755 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1COc2ccc(F)cc2C1 589530499 IVMHCXSPZWSOMX-LRDDRELGSA-N 403.435 1.484 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)C1=O 623224380 HVOZZTPJDFYEOZ-KBPBESRZSA-N 400.435 1.216 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669818265 KMZZEKHEZRVWSQ-APWZRJJASA-N 412.542 1.244 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 685556111 QEMJNPIVKGZNNG-HIFRSBDPSA-N 403.508 1.625 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC 729671540 KUTVWOKTWCIHJQ-AWEZNQCLSA-N 410.499 1.322 30 10 HDEE COc1ccc(CN2CCCN(C(=O)COC(=O)c3ccc(C#N)nc3)CC2)cc1 734602749 XMONQDCUDPTYLO-UHFFFAOYSA-N 408.458 1.853 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]([C@@H]2CCOC2)C1 749123015 PZXKQPKAKNQZBN-JKSUJKDBSA-N 405.520 1.780 30 10 HDEE C#CCN(C(=O)CSCC(=O)Nc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 751275469 SWAOHMURIMKNBS-HNNXBMFYSA-N 410.517 1.016 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 753784286 DCZXVRGPLOGYGT-UHFFFAOYSA-N 402.476 1.937 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760621235 SZFARLUVZMOLSF-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 766365422 FDZNQABMOBOFFP-CQSZACIVSA-N 409.464 1.308 30 10 HDEE C=C(Br)CNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771247605 ADJVIVPSDCKWDX-KRWDZBQOSA-N 410.268 1.795 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@]1(C)c1ccccc1OC)c1cc[nH]n1 772301892 FUDVRRFHYADDIS-OXJNMPFZSA-N 400.435 1.549 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 774163017 LNHXMOHSWVGDSN-JZXOWHBKSA-N 420.535 1.027 30 10 HDEE C#CCN(C(=O)NCCOc1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 774209364 OTNWQBDUABKTND-ZDUSSCGKSA-N 404.410 1.916 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 776843456 UOWHUYPYRGRLDL-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C 782392505 OWEFNLXSDRNUQJ-TYTKBFJVSA-N 408.495 1.766 30 10 HDEE C[C@@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)NC1(C#N)CCC1 787747828 QXXLVFZOEIFKPY-MRVPVSSYSA-N 424.326 1.940 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@](N)(c2ccccc2OCC)C(F)(F)F)CC1 787997761 GRXGIAJAEMGTIN-LJQANCHMSA-N 411.424 1.790 30 10 HDEE C=CC[C@@]1(C(=O)NCCN2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790300786 HGYOBWLJHOXFPC-NRFANRHFSA-N 408.543 1.613 30 10 HDEE Cc1cc(COCC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)on1 802047129 SMJSIDKZJJSLOH-GOSISDBHSA-N 422.445 1.793 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(C)c(C)c2)=NO1)[C@@H]1CCS(=O)(=O)C1 802381780 PUPYKEZYNARUKI-QZTJIDSGSA-N 403.504 1.628 30 10 HDEE COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802431614 WLJPCWWGGKDWRE-LPHOPBHVSA-N 410.478 1.614 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 804458311 CMDHSBFTFITZNG-HNNXBMFYSA-N 402.472 1.716 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 809893829 UAHUSORYBGWCRJ-GJZGRUSLSA-N 420.514 1.439 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 810520862 LGWDXPMOXZWGFF-LLVKDONJSA-N 407.370 1.819 30 10 HDEE COc1cc(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1C#N 811936552 GJDYTUUMDVRGCS-UHFFFAOYSA-N 409.446 1.814 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 812973736 JFSONBPEKXNRKO-OAHLLOKOSA-N 418.475 1.176 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 921296896 TYWOBEAOOUAOTQ-HNNXBMFYSA-N 413.496 1.270 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cn1 1125480484 NCFDWAZTIGXYFF-FQEVSTJZSA-N 404.518 1.952 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCS(=O)(=O)N1CCCC1 1134195564 ZWNSELDNZPZTRN-OAHLLOKOSA-N 416.544 1.505 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc2c(Br)cnn2c1 1137591876 OIMORZSZIJACCX-UHFFFAOYSA-N 402.256 1.979 30 10 HDEE C#CC[C@H](NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)C(=O)OC 1141994838 AQHPGAOULOIGBG-HNNXBMFYSA-N 411.439 1.621 30 10 HDEE COC(=O)c1cnc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1142655638 NUFUJTVJCYWANC-VIFPVBQESA-N 411.436 1.857 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)n[nH]2)C1 1149999471 CVQMDVFGNZELRG-CQSZACIVSA-N 416.482 1.332 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)ccn(C)c1=O 1156680157 UMMLRJJYXMMKGG-OAHLLOKOSA-N 408.499 1.303 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@H]43)ccc2c1=O 1158084531 OBFFLHSDDMZCBK-HZPDHXFCSA-N 419.528 1.663 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1158280821 LIIXIGXGGLSQEI-KRWDZBQOSA-N 424.519 1.644 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C(F)(F)F 1159489335 BJRMEFYGOLRFQI-UHFFFAOYSA-N 410.356 1.488 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)nc1 1160059089 HDCIOCHJJSRFNB-GOSISDBHSA-N 422.441 1.316 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NC2CCN(CC#N)CC2)cc1 1160753303 YNZBDLIODSIFCJ-SFHVURJKSA-N 402.520 1.705 30 10 HDEE C[C@@H](CC(=O)N(C)C(C)(C)CN1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1162442760 DZZVVLOGSHHRIV-HNNXBMFYSA-N 406.552 1.837 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1165488831 FGFYWUOBEMPOKI-HNAYVOBHSA-N 401.488 1.726 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1165497243 CHJOSHUXKQDDQT-UTKZUKDTSA-N 403.479 1.812 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1171573691 SZARVMIUVRERAF-MRXNPFEDSA-N 409.939 1.518 30 10 HDEE C#CCN1CCN(C(=O)CN2CCO[C@@H](c3ccc(Br)cc3)[C@@H]2C)CC1 1171847728 QNWBDXGAGJOEDF-OXJNMPFZSA-N 420.351 1.988 30 10 HDEE C#CC1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1195464539 XEPZFWGXRIALNI-UHFFFAOYSA-N 409.490 1.278 30 10 HDEE C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1211446092 HMZMXDLDCBHWBJ-CYBMUJFWSA-N 414.446 1.840 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1230820810 DTIHUTLCXZAXDK-RDJZCZTQSA-N 411.455 1.062 30 10 HDEE CCOc1ccc(C[C@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1251720383 QKOGIPJHSTXKKT-KNBMTAEXSA-N 405.520 1.844 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CO1 1256014853 YPILPOAOHNGOJD-OAHLLOKOSA-N 402.455 1.336 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286385709 ZELBJCOHWJIESM-SCTDSRPQSA-N 407.584 1.581 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286393016 DHEOYSIUBNKGMM-IXDOHACOSA-N 419.551 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1286404429 SNYYMYKZDKXZFG-HSZRJFAPSA-N 421.501 1.904 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1F 1286465486 OXOTXCUPVZWINC-QGZVFWFLSA-N 401.442 1.511 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1286490100 HBFYXEQBPWNBDZ-RTBURBONSA-N 415.538 1.563 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(C(=O)NCCOC)CC1 1286558859 RIDWSFSKDGGAEB-IEBWSBKVSA-N 405.543 1.801 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1286709756 DDSBBDUPEUQDQH-INIZCTEOSA-N 415.498 1.897 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1286787901 LMCACPRPAHAVER-MRXNPFEDSA-N 422.493 1.301 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286818386 HSJPYXVDFCIKOL-IAGOWNOFSA-N 421.523 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN2CCCC[C@@H]2C1 1286819051 XTQLXSLSDQCGCO-MRXNPFEDSA-N 404.540 1.549 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1287218070 KIDIIRJJUQEAJE-QGZVFWFLSA-N 408.572 1.793 30 10 HDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1291077400 ASNKHPGYTCIDQC-FOIQADDNSA-N 417.535 1.849 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297999900 CLQFAJOQVNGZKV-HNNXBMFYSA-N 414.901 1.258 30 10 HDEE CN(c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1298112770 BMFSQLOKIPIMFH-UHFFFAOYSA-N 420.539 1.949 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300403711 OIRAWGOUSPTTSD-UHFFFAOYSA-N 417.539 1.399 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCCS1(=O)=O 1300473260 RCDPZIQYGJPQFE-UHFFFAOYSA-N 417.535 1.579 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)cc1OC)[C@H]1CCS(=O)(=O)C1 1300497245 ACXJCZBUWDIPBX-KRWDZBQOSA-N 402.520 1.833 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1 1300697728 ISGFMAKLSZPURH-UHFFFAOYSA-N 408.572 1.019 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300757032 ZTBNJLSZKDJZDG-UHFFFAOYSA-N 418.611 1.902 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCn1cc(CO)nn1 1300807582 ABGAYTMPYXKAGT-OAQYLSRUSA-N 406.494 1.430 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H](O)C34CCC4)CC2)cc1 1300842583 UTAVDGRMJIWEJN-MSOLQXFVSA-N 403.504 1.379 30 10 HDEE Cc1ccc(C(=O)NC(C)(C)CCN2CCOCC2)cc1S(=O)(=O)NCC#N 1301211254 INYOINBJFVTBBO-UHFFFAOYSA-N 408.524 1.028 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1C 1301399597 QLTIUDNOIGHJOQ-KRWDZBQOSA-N 406.494 1.641 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CNC(=O)c1ccccc1I 1303043113 VBYTZHAGAKCHFL-NSHDSACASA-N 402.232 1.464 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(F)c1 1303835871 FUDFCJZYJRDQCG-SJKOYZFVSA-N 410.450 1.518 30 10 HDEE N#Cc1cn(CC(=O)NCCc2cn(Cc3ccc(Cl)cc3)cn2)c(=O)nc1O 1305819625 CCZGFELESVVDJZ-UHFFFAOYSA-N 412.837 1.078 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1nnc(O)o1 1307864708 FSDMEZMPRRGYNC-CYBMUJFWSA-N 414.466 1.577 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OCC 1309806758 CVOOERDYCCGGLV-OAHLLOKOSA-N 413.448 1.436 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CC1 1313995364 BSASYRXQVKUNGW-QFIPXVFZSA-N 423.521 1.829 30 10 HDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)C1CC1 1314647761 DPAVDAFDZBCWGC-LJQANCHMSA-N 407.522 1.859 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CC1 1314739834 GDGKLUALOWDLAR-UHFFFAOYSA-N 423.502 1.820 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@@H]2C1 1316754538 XMDLLZCQSRVTFW-QFCZJPRCSA-N 402.539 1.344 30 10 HDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)Cc2cccc(C#N)c2)C1=O 1340155922 YIXXLUYSNYKQMN-UHFFFAOYSA-N 405.414 1.232 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(O)n2)cc1 1356317825 BPEOYEFSFUAVPY-PGMHBOJBSA-N 405.480 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCCO1 1357662379 JUSPWPKFMGNLND-GOSISDBHSA-N 412.515 1.991 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@@]1(O)CCOC1 1358943730 SPDFXTYAKHPZND-SFHVURJKSA-N 421.295 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)n(C)c1=O 1358984052 GJYQGLIQFZDRND-UHFFFAOYSA-N 422.533 1.715 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1358999784 CLGHYCFDCCRMFZ-UHFFFAOYSA-N 416.913 1.846 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1359039117 XMLUPFUMZLNZDX-UHFFFAOYSA-N 408.506 1.645 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359131627 ZSFOFUQVUKIXKD-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359135414 CKAXRDWJQCISDZ-UWJYYQICSA-N 419.526 1.377 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1359216547 YCAWSJDHHIOGMD-LBPRGKRZSA-N 411.450 1.576 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1)C1CC1 1359251533 NSGRBRFVEUBPMT-ZDUSSCGKSA-N 408.553 1.738 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(c2nccs2)CC1 1359297370 OHQVDZNOULLWJK-UHFFFAOYSA-N 424.534 1.816 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2 1359341668 DHGLQUHKUOZYMC-AWEZNQCLSA-N 404.540 1.255 30 10 HDEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncn(C)n2)c1C 1360879125 GRZHLDRPXRTRPK-IRXDYDNUSA-N 422.493 1.941 30 10 HDEE CC(=O)N[C@](C)(C(=O)N1Cc2cccc(C#N)c2C1)c1ccc(S(C)(=O)=O)cc1 1437270189 KSYLUXUZIWYFSP-NRFANRHFSA-N 411.483 1.855 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1438021363 VZGNEHZOPJJZCD-JKSUJKDBSA-N 405.476 1.867 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C(C)(C)CC1 1454970326 LOFHAMIXGUTIFL-UHFFFAOYSA-N 405.455 1.069 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 1455703415 JYRDKVGKMBWWDB-MRXNPFEDSA-N 409.577 1.679 30 10 HDEE Cc1ccc(NCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1456127915 KAXNPAPJEHDYHW-AWEZNQCLSA-N 401.492 1.435 30 10 HDEE C#C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccccc1 1461146125 HPHLXLOZQDQQOW-GFCCVEGCSA-N 400.236 1.383 30 10 HDEE COC(=O)[C@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1463479853 MBTZCTLTMIQJEV-DJJJIMSYSA-N 405.838 1.260 30 10 HDEE C#CCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1466881301 UQRYJPHTVSYADV-AWEZNQCLSA-N 406.464 1.211 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1468882855 TVMCEPFHTRDFSK-KSFYIVLOSA-N 420.465 1.747 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)C1 1469188641 QSTBOFFUWPNGQO-AQZMIJIOSA-N 407.511 1.772 30 10 HDEE CN(C)C[C@]1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1471373593 LRHKOMYLNYRFIW-HESSTHLMSA-N 406.527 1.298 30 10 HDEE C#CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 1471522547 ZPUMRRBPDRTAOG-UHFFFAOYSA-N 400.500 1.885 30 10 HDEE COC(=O)[C@@H]1[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1(F)F 1471625253 WMAOEXAVIDPLTB-WBIUFABUSA-N 411.792 1.735 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)CC2=O)cc1Cl 1471723089 LZIGRXUUWFRLSC-ZNMIVQPWSA-N 421.906 1.458 30 10 HDEE CNS(=O)(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 1473515402 BIOOEVLWWHJCKP-QGZVFWFLSA-N 407.540 1.020 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCO1 1473683234 NYWBLEDQYZZMNW-QVKFZJNVSA-N 403.479 1.944 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCCc1cccc(Br)c1C 1475660467 FMBSAGBUZYNPQB-UHFFFAOYSA-N 404.330 1.997 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)nn1 1476152196 KRLXNWFRVKZPDN-INIZCTEOSA-N 405.480 1.739 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507634275 YGFIMRRMVSCDPU-SJORKVTESA-N 424.567 1.698 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1507642488 VUPJRDPTOAEBJM-LQWHRVPQSA-N 402.495 1.055 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCC 1507653903 SQMSCWXKQKSVJM-MSOLQXFVSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1OC 1507686925 HXKJBZQBFGSBRW-UHFFFAOYSA-N 424.461 1.926 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1COCCO1 1507711072 ZURNVSGOHNTPPI-HXUWFJFHSA-N 422.489 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC)CC1 1507718887 USIUAIZRZVNVNY-UHFFFAOYSA-N 407.316 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC(C)C)CC1 1507723760 TVQSGHMZHXZEJK-UTKZUKDTSA-N 402.543 1.172 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)SC)CC1 1507732095 CACRMQWPUOHGIM-IRXDYDNUSA-N 407.584 1.899 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507832176 QYAWBQZHHMAJFW-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1507848355 XICXQBFFHVAJPF-UHFFFAOYSA-N 418.542 1.346 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)CC1 1507898312 WVGLZDOLBMMEKR-OAHLLOKOSA-N 419.551 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508142322 SJSBQJQDHVQUCI-IXDOHACOSA-N 410.540 1.246 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508161755 NAPWVJPCJUJONB-IRXDYDNUSA-N 409.556 1.433 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1509663588 YUYHYMZHQBPVKT-XOBRGWDASA-N 401.515 1.461 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1518520124 PVJWOWDAEFETIO-SJORKVTESA-N 411.462 1.940 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1521143089 DFIHZLNDHRRDDF-KRWDZBQOSA-N 414.514 1.476 30 10 HDEE CC(C)n1ncc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1Br 1523980180 MABMBNXFQUWXAS-UHFFFAOYSA-N 408.260 1.910 30 10 HDEE C[C@@H](C(=O)Nc1nc2ccc(I)cc2[nH]1)n1cnc(C#N)n1 1529777328 NSQKZLRWXCCQBF-ZETCQYMHSA-N 407.175 1.830 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCOCC1 1533501655 ZWNVLKVNZIFGSG-YRNRMSPPSA-N 420.531 1.643 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1 1533725703 YYBIZUVVBRFDPC-KRWDZBQOSA-N 418.519 1.784 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CCOCC1 1533849705 RUFJTMULDABREQ-OAHLLOKOSA-N 401.467 1.135 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2ccc(C)c(F)c2)C2CCOCC2)C1=O 1535236497 MHRATZALWPIDRS-UHFFFAOYSA-N 403.410 1.623 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1535552600 JPQARFZUPOLKBS-CRAIPNDOSA-N 418.291 1.838 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1538993282 IAUBKSPKAWKLKU-LLVKDONJSA-N 401.272 1.737 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539224361 GAJLRAZDWOKGLT-BBRMVZONSA-N 423.564 1.295 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(O)CCN(C(C)C)CC1 1539328699 WPZKJBYCOZAPDV-UHFFFAOYSA-N 420.561 1.962 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1539364961 CYZHHSJPPWBKPA-KRWDZBQOSA-N 410.478 1.127 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCS1 1539396601 PSFHZIYZQXJGGD-WMLDXEAASA-N 415.585 1.260 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1539669906 VUIAUZFFGKPLLB-HWRSSNJWSA-N 400.570 1.494 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1540074442 YUUSDFRPNROZJS-KRWDZBQOSA-N 413.478 1.695 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1540874270 ADIYPXLTCAYZRF-HNNXBMFYSA-N 412.519 1.973 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541803087 CDWDUFLYQRZRES-QLFBSQMISA-N 416.448 1.783 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1541806796 SRKHRBDPTWLGBT-HOTGVXAUSA-N 402.499 1.682 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnnn1CC1CC1 1555060524 DFGNBVNBBKRMSX-HNNXBMFYSA-N 421.509 1.918 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1555240331 FWBVOLNKHGDRQF-SJLPKXTDSA-N 424.505 1.822 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)C2)C1 1556503547 XZTJHNSJELMLQY-JALFLYODSA-N 418.538 1.441 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 1561458621 UPEPTESIUBTQHQ-IBGZPJMESA-N 417.918 1.854 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 1561458622 UPEPTESIUBTQHQ-LJQANCHMSA-N 417.918 1.854 30 10 HDEE C=CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C)COC 1563505209 PPSXZKXHUZHRKC-MRXNPFEDSA-N 411.524 1.440 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1565248162 ZMZKPPYKERDSOJ-QGZVFWFLSA-N 414.487 1.393 30 10 HDEE C#CCN(CC(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1)C(=O)OC(C)(C)C 1566315481 GNMRYHPOLYBXOM-MRXNPFEDSA-N 406.479 1.538 30 10 HDEE N#Cc1ccc(C(=O)NCCNC(=O)c2ccc(Br)cn2)nc1Cl 1587206030 MXJOFMFBPICINL-UHFFFAOYSA-N 408.643 1.924 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1587798172 FBWHDSQNCKXUPF-ZWKOTPCHSA-N 400.527 1.084 30 10 HDEE C#CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1587894037 MYZSMAAESCDMLJ-DYESRHJHSA-N 416.526 1.384 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1587990621 ZHNKSPCZCIBEAM-HZPDHXFCSA-N 407.565 1.614 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CCCS2)CC1 1588751815 NKBIVQAXWHKJFN-SFTDATJTSA-N 419.595 1.971 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@@H]1CC 1589007678 OMNJLQKIYTVLBX-INIZCTEOSA-N 414.491 1.935 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593654966 OUZWISZKPHPTGS-UHFFFAOYSA-N 417.583 1.857 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594448922 PWPXLEYBZYNTEY-OAHLLOKOSA-N 409.556 1.740 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595530269 ZCQHRUNWSKOMOS-INIZCTEOSA-N 413.526 1.564 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC 1595551771 UUNCZUUIOMWRNZ-CQSZACIVSA-N 408.503 1.345 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnc(C)s1 1595788612 DMQGEVGMFXSMJJ-AWEZNQCLSA-N 424.552 1.231 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)C1 1595790440 LTPTYKLJHSCSBJ-ZDUSSCGKSA-N 407.521 1.110 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H]1c1nncn1C 1595797433 GLBKULJHDUFZGS-HNNXBMFYSA-N 405.528 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](C)C1 1595811901 GFRVMMCXYZHOBM-IYBDPMFKSA-N 405.524 1.478 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1598063185 SAZFCBSXGZFHAR-INIZCTEOSA-N 423.521 1.646 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CCCN2C(=O)CCC2=O)c(=O)c1C#N 1611231501 QMAJHYQLKCWRRM-UHFFFAOYSA-N 409.240 1.099 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCc2noc(CC)n2)CCOC1 1616185196 GMGVKRYWDYYDTR-HXUWFJFHSA-N 415.498 1.858 30 10 HDEE CCOCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1616940841 NOTXEMIGHPGSLV-MRXNPFEDSA-N 400.483 1.486 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCc2nc(C#N)cs2)c(OC)c1 1617871062 YHSGHATZNYHPCH-OAHLLOKOSA-N 400.460 1.953 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1Cc1ccc(C#N)o1 1620022959 XFFXWUQQJZEJIC-HOTGVXAUSA-N 416.482 1.036 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2COCCN2CC(F)(F)F)ccc1N1CCC(O)CC1 1622843812 VHEYPVFTPGCODZ-KRWDZBQOSA-N 412.412 1.721 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(Br)cc2)CC1 1623498822 FNQMSILHAVBHEZ-UHFFFAOYSA-N 422.323 1.500 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2nc(C(=O)OCC)c(C(C)=O)s2)CC1 1624319856 UZGUMOLRTNNMOP-UHFFFAOYSA-N 406.464 1.516 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1624565285 NLEBKBIAXWFLRD-UHFFFAOYSA-N 407.492 1.311 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(I)cc2)c(=O)nc1O 1628514180 OWWISWDWRLKCAF-UHFFFAOYSA-N 410.171 1.454 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1 1628849148 AQJCHODXQPEJPC-JKSUJKDBSA-N 410.312 1.917 30 10 HDEE CCN(CC)C(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1628954828 UDIASDUCPQZACX-KRWDZBQOSA-N 423.558 1.586 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1630149517 YSQFBLMSENCYPT-GJZGRUSLSA-N 418.560 1.268 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1634534962 OVYKXJLVANMWCZ-DIFFPNOSSA-N 400.863 1.223 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 1634636287 NVSABYFRQBVQBJ-UHFFFAOYSA-N 407.458 1.950 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1638989543 WVOQYSHMUAFTJP-QGZVFWFLSA-N 407.879 1.362 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1639319824 ZJMDLUMOMFBDCN-RDJZCZTQSA-N 411.462 1.184 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1639689878 BLEXDJXQPSGTRN-UHFFFAOYSA-N 409.443 1.468 30 10 HDEE CNS(=O)(=O)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639782443 IBIRMMXPSUOUTJ-PHDIDXHHSA-N 404.279 1.165 30 10 HDEE CC(C)(C)OC(=O)N(CCCNC(=O)CCn1cc(C#N)c(O)nc1=O)C1CC1 1639853512 MTICNTVOCLCDFX-UHFFFAOYSA-N 405.455 1.116 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)n1 1639991650 AJQTWTWHPMBWPW-SFHVURJKSA-N 419.526 1.042 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1643193072 YVMNINQPJGGXHM-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1644948145 MQMNBGOILZAIBK-LJQANCHMSA-N 423.604 1.609 30 10 HDEE N#Cc1ccc(CCNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1 1645356929 UBVBAOUUWLRGFY-UHFFFAOYSA-N 419.528 1.677 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]1CS(=O)(=O)C2 1648155529 IXEBQOZLVZINIW-YQVWRLOYSA-N 423.485 1.541 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCO[C@@H](c2ccc(C#N)cc2)C1 1648463175 MLXKBSPPPHGGCP-HXUWFJFHSA-N 402.520 1.990 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NOc2cccc(C#N)c2)cc1OCC 1648726856 OXXMDBLZYMIOBV-UHFFFAOYSA-N 419.459 1.744 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1 1649678510 IEQJLWCIGFOMLE-GOSISDBHSA-N 422.493 1.470 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC3CCOCC3)CC2)cc1 1650838339 ONYOJFSXHLCLPI-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1655097835 SGFOXKHCXLLRGF-CYBMUJFWSA-N 405.524 1.457 30 10 HDEE CCOC(=O)[C@H]1[C@H](C)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H](C)C[C@H]1C 1655873079 DGLBZXLHZIVZMU-WVXKDWSHSA-N 406.571 1.977 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](O)C[C@@]2(C)CO)n(-c2cccc(F)c2)c1C 1659506014 CJRCRHKEVIVRAX-UWJYYQICSA-N 400.454 1.861 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1660892503 OYUQFMHAFMPEBC-KRWDZBQOSA-N 421.519 1.925 30 10 HDEE CNC(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1664223189 BABKXUOCZPGYAB-LBPRGKRZSA-N 401.286 1.403 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1)C(=O)OC 1668852052 AWHYESAHBRVWHS-AWEZNQCLSA-N 405.856 1.539 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)NCCn1cc(Br)ccc1=O 1669447101 BZTKVMCFWKANEI-UHFFFAOYSA-N 400.229 1.600 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1672791934 QFVVUTSIIRHUBY-UHFFFAOYSA-N 415.263 1.849 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCN3C3CCOCC3)C2=O)cc1 1680778880 OBMJHGUBWRLZTM-UXHICEINSA-N 411.506 1.212 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681300596 IFOYRMWKWXEJBS-FXAWDEMLSA-N 414.554 1.625 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc2oc(=O)n(C)c2c1 1687276696 LWBAELDIADPPSP-CYBMUJFWSA-N 407.434 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1689826856 VVNCSOWDXVFZHJ-HOTGVXAUSA-N 417.535 1.959 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1689928131 HOGMUOUCOBOWRU-GJZGRUSLSA-N 413.482 1.727 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1689966488 SVRLOQLPFYPQME-QGZVFWFLSA-N 419.526 1.521 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689978255 QLPQRCOSIBXTCZ-KRWDZBQOSA-N 419.551 1.331 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCc2ccccc21 1690099933 QZSADBPKACRYIW-JOCHJYFZSA-N 406.490 1.599 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1CC 1690103988 JWBUITGAXVYPJN-SFHVURJKSA-N 423.477 1.536 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690188960 QYWLAKMUAYEKOE-VGWMRTNUSA-N 422.507 1.483 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1690480721 OFPQMZGSZFAWDR-OAHLLOKOSA-N 415.523 1.933 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1690523717 MEUCVDLSGMFCQE-UHFFFAOYSA-N 419.493 1.864 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1690579549 NMZKZRQDJAYZDM-UHFFFAOYSA-N 412.523 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)S[C@H](C)C1 1690723472 SMGPXPMHDIDLDQ-MJBXVCDLSA-N 413.569 1.160 30 10 HDEE Cc1ncsc1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1692921097 ANXRVPLVUTWDLU-UHFFFAOYSA-N 423.502 1.673 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705491807 IGCZAJYVPWVAKF-JKSUJKDBSA-N 419.526 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(n1)CCCC2 1705585563 UQWONYANPFRXQB-UHFFFAOYSA-N 402.502 1.795 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1705626388 UUSWPGNJXGLTGB-FQEVSTJZSA-N 400.552 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1CCN(C(C)=O)CC1 1705629710 SFLXPMULZIONMD-UHFFFAOYSA-N 410.522 1.608 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](CC(C)C)NC(=O)OCC)CC1 1705645446 UQJLINPWCJWQMU-SFHVURJKSA-N 418.542 1.713 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)COC)CC1 1705647169 ADUNANGZURJSMG-SJLPKXTDSA-N 403.527 1.420 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705692318 GFGUEHKLGXPLKH-ZIAGYGMSSA-N 414.304 1.380 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1705717959 WNXJMEQJCIOKDM-QAPCUYQASA-N 415.560 1.174 30 10 HDEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705811360 WPTORXVENJCFDI-KRWDZBQOSA-N 418.542 1.265 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1705812093 QXQNOIYXPMQIHS-UONOGXRCSA-N 408.532 1.325 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705830744 WUGZEZKYPQDJMM-PMACEKPBSA-N 419.570 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705935348 OILORGZAPJNUPL-KRWDZBQOSA-N 422.555 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1705936408 QFZJAIXZLHNLKW-INIZCTEOSA-N 407.540 1.903 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1706579596 AXYWISXBCWPVMK-GUXCAODWSA-N 404.515 1.883 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711162267 PEBSCNGVQQXCQZ-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722299608 JDYGNNOMIZXGRY-IFXJQAMLSA-N 406.483 1.016 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCNS(=O)(=O)CC 1722393838 IVTKFFRXDHWDKQ-UHFFFAOYSA-N 414.535 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCc2nc(C)no2)CC1 1722450367 FWWPPYKDCPQAET-UHFFFAOYSA-N 415.498 1.105 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722461411 FXIXSVGDRLNVQK-KRWDZBQOSA-N 413.547 1.933 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1722643326 JHIWEUGEQUSWHP-UHFFFAOYSA-N 406.581 1.941 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1723039375 LHJUUJVOHXVFPV-KRWDZBQOSA-N 411.510 1.536 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1723092375 BVIKMMNNJCBZHX-KRWDZBQOSA-N 400.458 1.509 30 10 HDEE Cc1c(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1724137258 VIDURFHFMHQPBZ-IRXDYDNUSA-N 412.498 1.167 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C 1726666721 PFHSZMNQJQRXNO-CJNGLKHVSA-N 416.432 1.908 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1726764791 HXSNFCYNAXIMND-WPKBUWHJSA-N 404.858 1.262 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1740548552 IPJPLJJZDVNJSI-YOEHRIQHSA-N 419.507 1.188 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740590465 MACVWDLIMDFYHC-HNNXBMFYSA-N 400.483 1.106 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1740622979 MCGMXZVUBBSVOM-GOSISDBHSA-N 403.552 1.434 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1740693060 SLIFTEHNYNGRAL-XMSQKQJNSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C(C)(C)C)no2)CC1 1740695301 MEYNLCBWENXHRM-UHFFFAOYSA-N 406.494 1.824 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740718579 RGCAYYRQZKWWBP-OAGGEKHMSA-N 408.524 1.246 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1740902938 FQKWCUTWCZVTDZ-UHFFFAOYSA-N 411.510 1.303 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1740946181 YIUYTWXWSKKJCX-UHFFFAOYSA-N 422.468 1.821 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CCCO1 1740954664 DGIRZHVRLQGYFN-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC=C)C1 1740981885 QWFGDAZGXDKOTJ-HZPDHXFCSA-N 412.581 1.881 30 10 HDEE CC(C)Cc1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1741439554 PWCLZLSLQTVWLE-HNENSFHCSA-N 412.498 1.336 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCN(C)C(C)(C)C1 1744647154 ZCHCCGUIPGJFPY-UHFFFAOYSA-N 424.553 1.401 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1747220475 NFLWXFHLPFRCHX-DOTOQJQBSA-N 416.457 1.027 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1748812614 YCWJYBFKVVMGAR-HNNXBMFYSA-N 417.560 1.862 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748817341 JJEMFIGPTSQBIM-MRXNPFEDSA-N 421.567 1.149 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1748847285 QTWBBDVKUAHORL-SFHVURJKSA-N 412.515 1.618 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2COCCO2)CC1 1749329522 OHEGNFTUTVWDRM-GDBMZVCRSA-N 413.544 1.096 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1749597774 MLACUDFCQWNMJW-OXJNMPFZSA-N 400.483 1.712 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1NC(=O)CC1(C)C 1749600671 IYTNEVOVWHDWIM-KRWDZBQOSA-N 415.542 1.693 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OCC)C1 1749678191 YUUMRPDMNDCPRK-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749736214 GPCQDLZFTXZJLK-AEFFLSMTSA-N 419.551 1.726 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@]2(C)CN(C3CC3)C2=O)c1 1760125070 DDFZBHZELJBPDJ-QFIPXVFZSA-N 406.490 1.654 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1760131157 OYJXCLYQFYSWFE-HOTGVXAUSA-N 420.543 1.125 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760148243 SZDJJPGRNPXYLU-KRWDZBQOSA-N 424.505 1.932 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1760163232 PNRVZORIKABZSN-ZDUSSCGKSA-N 423.489 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@@H]1OC 1760199511 XMOMXIWEQDZVGL-RXVVDRJESA-N 422.485 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1760204165 GLAWJGCYTFSGQK-UHFFFAOYSA-N 409.509 1.928 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1cn2ccccc2n1 1760223952 RSBFVEJSHGUUAB-UHFFFAOYSA-N 415.501 1.754 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1760249680 QIIMKVNWVSRVHD-OALUTQOASA-N 403.527 1.517 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1760250976 UPNZSKMEVOMAPM-UHFFFAOYSA-N 410.927 1.653 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2OCC[C@H]2C)CC1 1760267924 GUXAZVMQMPUYNB-VQIMIIECSA-N 408.506 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCCC2)CC1 1760269954 QFUAQRNJIZGIAQ-SFHVURJKSA-N 415.538 1.443 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1760294957 KCTWOTIGWWTJOS-RZQQEMMASA-N 406.552 1.987 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)CC1 1760389493 LTUYCVJRIXCICL-HNNXBMFYSA-N 415.585 1.521 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N(C)C)C1CC1 1760471635 CADZCDFDXHDWIN-UHFFFAOYSA-N 407.482 1.554 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1760479346 LZMVFTMYRPCUNY-SFHVURJKSA-N 421.505 1.772 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1760490072 OZZUTASCZBWGBW-RTBURBONSA-N 416.570 1.807 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760522125 MDGJADDBFWIVPB-SJORKVTESA-N 414.514 1.134 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760529123 XPEAQWNDLCAONM-FIKGOQFSSA-N 421.542 1.625 30 10 HDEE CC(C)NC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1761250683 JLGBXKGAVUMUDM-PMACEKPBSA-N 422.505 1.675 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1764084272 RYFLJYJPUSCKON-GOSISDBHSA-N 423.521 1.983 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1ccc(CC#N)cc1 1849826065 GAUVNLCEJDYDOC-UHFFFAOYSA-N 418.441 1.824 30 10 HDEE O=C(c1ccc(N2CCOCC2)nc1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851263539 DGILWLNFQJOMET-UHFFFAOYSA-N 406.386 1.402 30 10 HDEE Cc1nc(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c(C#N)c(C)c1Br 1851983054 SQOMUTWFLLXWTD-LLVKDONJSA-N 415.313 1.486 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)nc1C 1852091786 OBPKKNSWJVYHCS-AWEZNQCLSA-N 404.492 1.631 30 10 HDEE CN(C(=O)CC1(C(F)(F)F)OCCO1)c1snc(N2CCOCC2)c1C#N 1852369579 CLRDOCHCEWUHDL-UHFFFAOYSA-N 406.386 1.510 30 10 HDEE N#CC1CCN(C(=O)C2CCN(CC(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1852758830 PQOBITQRMFMREB-UHFFFAOYSA-N 410.474 1.674 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccc(N2CCOCC2)nn1 1852793073 XDCWDSXVUSDWDI-LBPRGKRZSA-N 401.858 1.561 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2noc3ccc(C)cc23)C1=O 1854193231 HULYPEAXHPPUNT-ROUUACIJSA-N 410.474 1.525 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1854286974 LFTCSJAYIJVYCM-KGLIPLIRSA-N 414.453 1.994 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cncc3ccccc23)C(=O)C12CCCC2 1854401408 NODFXCJKGBEPAK-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc3ccccn3n2)CCN1CC(=O)c1ccc(C#N)cc1 1855166191 HFNOCMRVPSDSQL-OAHLLOKOSA-N 401.426 1.762 30 10 HDEE C=CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)C1 1855563209 OLCXRFZVHPNJPY-UHFFFAOYSA-N 405.520 1.722 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 1855662042 ROGJKCWSDSCKBA-MRXNPFEDSA-N 409.483 1.226 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)C1 1855879344 KXYHRMGXDFEHRY-FUHWJXTLSA-N 412.490 1.255 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3nc4ccccc4o3)C2=O)C1 1857107487 VAVXMPAOWUQUON-INIZCTEOSA-N 403.398 1.599 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857201095 ARSYEELZVYFBKM-ZIAGYGMSSA-N 403.870 1.510 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC(C)C)nc2)C1)[C@@H]1CCN(C)C1=O 1857236687 KKSBACFFABSXCT-SJLPKXTDSA-N 414.506 1.576 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(Cc4ccsc4)CC3)CC2=O)ccn1 1857278006 HSKVSKGXOYECIE-KRWDZBQOSA-N 409.515 1.821 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 1858640957 PSQBXOMAUZNBLD-UHFFFAOYSA-N 403.460 1.556 30 10 HDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CSc1nnnn1C 1870285424 VCFLBXITXKJJJL-UHFFFAOYSA-N 406.512 1.487 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882609107 GFBBYAGOVXYJNQ-CQGGRAHPSA-N 422.503 1.705 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 1891757476 JNKARHGCDYURFR-MRXNPFEDSA-N 410.459 1.766 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1 1892072303 DFYDRGGRYFQUAZ-IBGZPJMESA-N 404.532 1.934 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(O)nc(O)c1Br 2061904810 DDKFTXIWLZBROU-QMMMGPOBSA-N 415.244 1.896 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1 2118165749 FHXHIAMSHOCBPI-OALUTQOASA-N 415.471 1.920 30 10 HDEE CN(C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CCO1)C(=O)OC(C)(C)C 2174780946 AEDMVOKMKSSPPH-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE Cn1ncc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243370719 RCAUYEOAHLFGRW-STQMWFEESA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2243394144 CTXJZAJLNKAXBZ-GJZGRUSLSA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CCC1 2243678369 IQIMIWVOKDIADB-UHFFFAOYSA-N 424.332 1.645 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCCC#CBr)C1 2250137769 AQNBISPQHWKXPL-CQSZACIVSA-N 400.317 1.932 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258182784 HSMSYXQIYFAQFG-BDVYOWHSSA-N 408.476 1.477 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2281803411 WPQOENQWZRUMEY-NEPJUHHUSA-N 400.331 1.138 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2281932049 IKVVCHQAGLSTFG-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCCC[C@@H](N)C3)s2)OC1(C)C 2282330701 CXILHICTXWUNQW-CYBMUJFWSA-N 400.375 1.939 30 10 HDEE COC[C@@](C)(O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282423165 KXZNBJGNFJBHPA-INIZCTEOSA-N 405.347 1.031 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3[C@@H](C2)C3(F)F)OC1(C)C 2282493439 TZJCOZZAGZDJEL-NXEZZACHSA-N 406.285 1.469 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2COC[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282497424 PMIMJHLOOIUCIG-RYUDHWBXSA-N 405.322 1.679 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)C2)OCCO1 2282618597 NFQUEFMYKADSKF-CQSZACIVSA-N 403.288 1.391 30 10 HDEE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282626902 FHSJLUFCICFACH-NSHDSACASA-N 400.331 1.092 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCC[C@@H]1O 2282856538 UOJYXNITVWOREP-UBHSHLNASA-N 401.359 1.875 30 10 HDEE CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282863035 MBVFIBSAGGVPSR-HDJSIYSDSA-N 401.359 1.971 30 10 HDEE CC1(C)CNC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282868643 QJCKEKVCFRXYRX-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](N)CC(F)(F)C2)OC1(C)C 2282881627 ABQGQCGFBUGJHW-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE CS[C@@H](C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409668 MCEHIQSFSLIDPS-JOYOIKCWSA-N 421.371 1.530 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H](C)C(N)=O)C(=O)[C@@]12C 2297591668 RQQZUURROCFJTM-FPVGNUTFSA-N 414.414 1.032 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@](C)(NCC#CBr)C(=O)O 2305987356 AFYTZYIETUSDMX-WBMJQRKESA-N 405.289 1.801 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2339647504 BDCWDOJSZIFFGR-UEXGIBASSA-N 423.531 1.990 30 10 HDEE C[C@@H](C[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365243916 QESVTBXEUSHABE-KBPBESRZSA-N 405.513 1.976 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)COC1CCN(C(=O)OC(C)(C)C)CC1 2367790158 VFDXGDQMORBJJW-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367792527 PHWXKFHODWIJDF-JKSUJKDBSA-N 400.541 1.307 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 2367792531 PIJJVBPADWTQQN-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367832041 WRJSVANVYQOTRX-OWCLPIDISA-N 402.557 1.457 30 10 HDEE C=CCC1(N[C@](C)(CS(=O)(=O)CCC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2373194771 OZKUMPQRCQQKHZ-QGZVFWFLSA-N 404.529 1.810 30 10 HDEE C=CCn1c(=O)/c(=C\c2c(F)cccc2F)s/c1=C(\C#N)C(=O)N1CCCC1 6343474 XUEBCFXZKJQMOX-DIIURONGSA-N 401.438 1.499 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 29009286 URROQZJMSXBERH-MRXNPFEDSA-N 424.482 1.730 30 10 HDEE O=C1CNC(/N=C(\O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)=N1 50223371 ACHLPEVIMBPIRF-UHFFFAOYSA-N 416.415 1.049 30 10 HDEE CN1CCN(CN2C(=O)/C(=N\NC(=S)NCc3ccccc3)c3ccccc32)CC1 59402315 QLFJRZORUHEFAQ-GFMRDNFCSA-N 422.558 1.607 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@@H]1CCS(=O)(=O)C1 111192519 DLRFQDPULAQSCC-MRXNPFEDSA-N 418.544 1.975 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)N(CC)CCC#N)CC2)cc1 409562341 LLMPJXAVLXATRV-UHFFFAOYSA-N 408.524 1.760 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)C2)cc1 409632202 QNXONQQCKKVTIM-CVEARBPZSA-N 416.507 1.236 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1 435997662 CMAIOYFOAOBJGA-TWOQFEAHSA-N 408.520 1.950 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)ccc1Oc1ccccc1 442270991 IAISTRBZBYIDMT-GOSISDBHSA-N 422.441 1.389 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 442978635 DBPKAPBSMYGLGG-YXYCDRMUSA-N 409.552 1.542 30 10 HDEE CCOC(=O)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 466299385 PMZXBHXQAAQHAA-QGZVFWFLSA-N 412.446 1.707 30 10 HDEE Cc1nn(C)c(N2CCN(CC(=O)NCCc3cccc4cccnc34)CC2)c1C#N 472163890 VTGJINNNGSDKTO-UHFFFAOYSA-N 417.517 1.629 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 474052305 FDRJDTFQFINBBF-ROUUACIJSA-N 406.442 1.798 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 476377019 SGVCYARDYLTDAO-UHFFFAOYSA-N 400.460 1.499 30 10 HDEE CCN(C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1)S(C)(=O)=O 481025418 OTMNKNSYEAJSCU-UHFFFAOYSA-N 403.501 1.273 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2cc(C#N)c(Br)cn2)cn1C 494333029 NJUPGLSJQRAMDK-UHFFFAOYSA-N 412.269 1.557 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C#N 497892005 WZDHTIOCRIWVIM-SJLPKXTDSA-N 412.515 1.994 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 508546968 ZEXXDJHRPGDGQJ-INIZCTEOSA-N 407.522 1.923 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 508842859 ZTLNEMCRXZWOMJ-SJORKVTESA-N 411.572 1.303 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cc(C#N)ccn2)CC1 533244104 AGRUYTZAPHLLOR-UGKGYDQZSA-N 418.545 1.854 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cc(Cl)ccc2OCC)CC1 535219667 IFUHPSOMYZUIFG-UHFFFAOYSA-N 408.930 1.911 30 10 HDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546778530 HUXPEOGNIDLAFW-ZWKOTPCHSA-N 410.584 1.713 30 10 HDEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)ccc1F 556955821 YBJQTHDJVOMDMO-UHFFFAOYSA-N 405.407 1.676 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 558071443 JNINIDJQCCWDQY-SFHVURJKSA-N 417.469 1.387 30 10 HDEE N#Cc1ccnnc1NC[C@@H]1CCCCN1CCn1nc2c(cc1=O)CSCC2 585626818 RSKVRKBZPQGJPF-KRWDZBQOSA-N 411.535 1.661 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)CC1 604189717 GHECWTDORTXDMN-SFHVURJKSA-N 415.538 1.151 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)NCCN1CCN(C(=O)C2CCC2)CC1 611017804 CIVLTHTZNFHKAQ-UHFFFAOYSA-N 410.927 1.434 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)c(F)c1 613920096 AAGCJDKXYYQSCO-UHFFFAOYSA-N 423.491 1.960 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1CCO 614628908 KIKWDJBDXJKFNS-OAHLLOKOSA-N 409.446 1.209 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2N2CCCC2=O)CC1 619736804 YYTOGHBSQQPJLP-UHFFFAOYSA-N 404.474 1.841 30 10 HDEE C#CCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 729335827 VEVUJFRBTGDNQR-FZMZJTMJSA-N 410.439 1.240 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnn3ccccc23)c1=O 729670201 LOZIKQLXPIPKAF-UHFFFAOYSA-N 407.499 1.139 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 729810070 SFGDVZDIUQMQFL-IRXDYDNUSA-N 409.508 1.333 30 10 HDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751660563 YMBNGVVBAURCCW-IRXDYDNUSA-N 404.536 1.783 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cccc(OCC#N)c3)nn2)cc1 756204113 MGFZTAHEHRXTFY-UHFFFAOYSA-N 406.402 1.433 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 758644556 MQZNARZEGJTIKV-GDBMZVCRSA-N 406.508 1.716 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758752895 NREIVCRUARESMR-FVQBIDKESA-N 404.467 1.787 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3cc(C)c(CC)s3)o2)CC1 761031844 WYJGYXVVMOKYMN-UHFFFAOYSA-N 409.537 1.254 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CN2CCc3cc(OC)c(OC)cc3C2)c1 769486968 GNSCVCABULHVAB-UHFFFAOYSA-N 407.470 1.798 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 780203255 BBPPSICQXSYHSB-KSSFIOAISA-N 411.414 1.101 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCCC3)nc2)cc1C#N 787198101 HRGLITMPNLAOMG-UHFFFAOYSA-N 407.474 1.885 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)CCCN1C(=O)OC(C)(C)C 790650548 ITPXFTUEUMKTOY-NRFANRHFSA-N 423.510 1.566 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)CCCN1C(=O)OC(C)(C)C 791870617 NFOFALGQKNHCHU-KSSFIOAISA-N 402.513 1.957 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12 800412535 ZQQDYITYNBATGQ-FPIPNRSUSA-N 422.384 1.709 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 809986257 ANILXKJEOOZQPV-MRXNPFEDSA-N 403.458 1.807 30 10 HDEE COc1ccc(Br)cc1CC(=O)NS(=O)(=O)c1cncc(C#N)c1 813982098 CKLMDYUXKSKDPQ-UHFFFAOYSA-N 410.249 1.772 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1CC(F)(F)F 816129688 IIXYZXUZNDOFKE-NSHDSACASA-N 406.342 1.298 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H](c2cnn(C)c2)C1 849547547 IRDWJACAJWCWFB-FSSWDIPSSA-N 406.534 1.692 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1N1CCOCC1 1127219588 DIUHZJUFAGWQHS-KRWDZBQOSA-N 406.490 1.844 30 10 HDEE COC[C@@H](O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138030228 XHRLBBQRZUXVGP-FUHWJXTLSA-N 403.479 1.906 30 10 HDEE C=C(C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1141204189 PYZQALZMBIEPSY-ZDUSSCGKSA-N 421.441 1.700 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(CC3)OCCCO4)C2=O)cc1 1141416785 VUBGACTYMXLJED-KRWDZBQOSA-N 412.446 1.519 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1148871453 MTHQALZVJUUNEX-NCOADZHNSA-N 410.536 1.528 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 1156591212 BHCMLFYXLKMIHH-OAHLLOKOSA-N 415.462 1.549 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCCN2CC(F)F)ccc1F 1166854652 OFVABYYYOLMMCH-ZDUSSCGKSA-N 405.442 1.749 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)nc1 1167477803 RPTWOJRWJDCXCS-UHFFFAOYSA-N 413.499 1.668 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CSC1 1171875116 CCBQSVVSMNHAFJ-UHFFFAOYSA-N 407.561 1.850 30 10 HDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CCOCC1 1178169937 RDBKUFPTHWNUFV-UHFFFAOYSA-N 407.492 1.002 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@@H](C#N)CCC#N)C3)[C@@H]2C1 1197219928 DOPVQWQDBASMFS-VQHPVUNQSA-N 403.483 1.944 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 1228795775 JITQJHPBKDUXNP-QFIPXVFZSA-N 421.497 1.968 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1ccc(Br)cc1 1230499323 UMKRWRYQEDPLST-SMDDNHRTSA-N 400.298 1.443 30 10 HDEE C#C[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)[C@H]1CCCO1 1234627813 WQBLFGFGYYLRDA-DLBZAZTESA-N 407.511 1.979 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](C)C(=O)OC(C)(C)C)c1 1264809727 SJCQGGIDWAKNJQ-MRXNPFEDSA-N 400.475 1.838 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1286271256 RCGONEPQPKXYNS-KRWDZBQOSA-N 418.586 1.890 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286289007 IZOHZMBXMGRWJX-SZNDQCEHSA-N 407.478 1.118 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1286335694 LILNEQKZYBJYLC-FIKGOQFSSA-N 403.527 1.768 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1286384860 JVWYJCFCMGSAFB-OAHLLOKOSA-N 418.548 1.786 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286450084 BYSYLCHSEQUUMD-ZDUSSCGKSA-N 410.569 1.664 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](F)COC)CC1 1286494809 RVYGZCFYGHYENF-SFHVURJKSA-N 405.518 1.961 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1286718272 DCLVQQDEHKUMLH-UHFFFAOYSA-N 424.548 1.572 30 10 HDEE CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287141588 YDKAICONWOXABJ-WMZOPIPTSA-N 415.542 1.121 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCO 1288513247 CRXFYPBKLKFEEQ-OAHLLOKOSA-N 401.467 1.854 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1c1cccc(Cl)c1 1289206788 QHRKRLWQRJNIRL-PZFZOXMESA-N 421.906 1.256 30 10 HDEE CCc1nnc(Cn2c(CC)nnc2N2CCN(c3ncccc3C#N)CC2)s1 1292795952 LORXHWVUZISYOE-UHFFFAOYSA-N 409.523 1.896 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCCCO2)CCOC1 1296663431 IFFBIZOSVWCAEP-MBOZVWFJSA-N 405.499 1.618 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1298173875 HCVIGKAVTNRZTK-HNNXBMFYSA-N 412.475 1.400 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301505984 DOJSBZOONLFJIV-UHFFFAOYSA-N 423.521 1.015 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1302017424 YYMVQNFXWOGGLN-GQIGUUNPSA-N 407.515 1.672 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 1311156311 YGKOWKNIWUIZMG-LBPRGKRZSA-N 407.268 1.999 30 10 HDEE Cc1[nH]c2ccc(F)cc2c1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1313123933 ZHOVJVDMWNCKCU-ORAYPTAESA-N 404.467 1.738 30 10 HDEE CN(C)C1(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1314657401 BLQITZBGHXMZMP-HXUWFJFHSA-N 424.549 1.903 30 10 HDEE CN(Cc1ccco1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314758651 YSJLWQCKYCJKNW-RMYFCYLKSA-N 412.450 1.538 30 10 HDEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1315810593 JWKCEWKHXUEQJV-WOSRLPQWSA-N 402.496 1.003 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H](O)C1 1316286188 ZCKYZYLDLHKLLD-LLYLOPHFSA-N 407.490 1.995 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C1 1320888130 HWGWHSTXHXDXAQ-HNNXBMFYSA-N 408.499 1.542 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(NC(=O)c2ccsc2)CC1 1322733845 FALGQJFIEJELQC-VLGSPTGOSA-N 417.491 1.178 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1329535458 ZPNXDROJRVCUCR-DJJJIMSYSA-N 422.489 1.861 30 10 HDEE CN1CC[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](c2cnn(C)c2)C1 1346702213 JSGZOVJIOUKSNS-PMACEKPBSA-N 407.522 1.507 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCCS(=O)(=O)C2)c1 1355983930 JMAFDDYXMDUCBD-GOSISDBHSA-N 418.515 1.075 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1358895271 GKENXISZIWMWQZ-OFJJUDJNSA-N 413.547 1.785 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1C 1358974006 NLVMJGKKGUSXSU-UHFFFAOYSA-N 409.457 1.745 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1359010736 XZYALHQPLITRKI-INIZCTEOSA-N 423.564 1.375 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC(F)(F)CO2)CC1 1359037589 PCJSRPQRXMQBKF-INIZCTEOSA-N 422.505 1.813 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCOC2)CC1 1359039916 AUFBSXWAUDEQOG-FHWLQOOXSA-N 403.527 1.184 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359186329 BNVGSYDZMXNWRD-HNNXBMFYSA-N 421.571 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(F)ccc2Br)nnc1N1CCOCC1 1359294405 SLEYERIBMUKQNN-UHFFFAOYSA-N 424.274 1.986 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1360693396 HUGDFNXJNUGVJM-GMBSWORKSA-N 423.587 1.359 30 10 HDEE COc1ccccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1445688993 LSIBUXCIJHEBLW-GOSISDBHSA-N 416.478 1.845 30 10 HDEE CN1CC[C@H](N2CCC(NC(=O)c3ccc(Br)cc3C#N)CC2)C1=O 1449171316 BSGYOCCCRHMYOE-INIZCTEOSA-N 405.296 1.746 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OC 1462164306 OFTROSZPBHBSII-OAHLLOKOSA-N 407.492 1.472 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccccn3)CC2)c1 1463808940 SXNUFUMDAKOZBP-UHFFFAOYSA-N 402.451 1.476 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C(=O)OC 1467516827 VVYLKALUPRIQSG-GFCCVEGCSA-N 420.340 1.977 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)n1 1467714880 CQVYCWQCBVCZJU-ZWKOTPCHSA-N 420.510 1.421 30 10 HDEE COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)cc1 1468452595 IFZPACZNKBKRHK-LJQANCHMSA-N 411.458 1.664 30 10 HDEE C#Cc1ccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1468663927 SFLXNMRTZXAGPM-HXUWFJFHSA-N 420.517 1.763 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCCC1 1470194774 XNCXWCRDLPTNGK-BBWFWOEESA-N 409.552 1.686 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C)COc3ccccc3O2)c1 1470465207 KQCXIAYNKXMDSV-FQEVSTJZSA-N 400.456 1.558 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)c1 1472038505 RDSKEWPLACJZSC-SFHVURJKSA-N 402.472 1.719 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 1475717536 UMTPXFWNXXOEKB-UHFFFAOYSA-N 410.970 1.523 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3cccc(OC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1479572273 RZNFTSHNJYQFFS-WFASDCNBSA-N 403.382 1.665 30 10 HDEE CC1=CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1492618544 NIZRYRCSMUYSJH-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE CCCNC(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1501178017 DNRGZRXWCCZLMF-OAHLLOKOSA-N 416.457 1.641 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1 1502463592 PORBRPYLPKDMRN-HNNXBMFYSA-N 406.512 1.607 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1505317139 OIIWGYIAQZLMAT-SFHVURJKSA-N 410.478 1.339 30 10 HDEE C#CCCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1507564095 MSBFDNNQPSYKFK-SFHVURJKSA-N 416.503 1.829 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1507671436 KXFOKYKHOORIMK-IBGZPJMESA-N 417.579 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)CN1CCOCC1 1507705912 XVWWWRKZDKDWCY-KRWDZBQOSA-N 401.511 1.901 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCCOC)CC1 1507738351 NXQZCLJIMVBHCZ-UHFFFAOYSA-N 413.526 1.461 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCOCC2(CC2)C1 1508072682 FGRPHRRDWDFQKA-UHFFFAOYSA-N 402.886 1.913 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nccs2)C1 1508081268 IQOXHXQOIMBDOU-HNNXBMFYSA-N 411.491 1.677 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508158436 GZORNAXIRCCLSY-ZRGWGRIASA-N 407.540 1.533 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1508663670 KEVSARLBVOEXNG-CVEARBPZSA-N 420.514 1.816 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1516220382 FDJYWIUAOPVNOY-OXQOHEQNSA-N 406.531 1.247 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1516981870 WRPKYCIYKGKWPX-MSOLQXFVSA-N 411.466 1.922 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC 1518719415 CQMIVUJOLORVGI-DLBZAZTESA-N 412.450 1.119 30 10 HDEE N#Cc1ccc(OC(=O)CN2CCCCC(=O)C2=O)c(I)c1 1524881755 ZSVXQAHOIVPQJX-UHFFFAOYSA-N 412.183 1.650 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 1524968682 ZPGCLOMXUXQTAB-INIZCTEOSA-N 417.510 1.333 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)c(F)c1 1525248825 KFXWYHDZMFKVCY-UHFFFAOYSA-N 413.457 1.201 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537825135 WHSRUTWENWKAFC-WBVHZDCISA-N 408.476 1.605 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCO[C@@](C)(C#N)C3)nn2)CC1 1538538458 XWCVCZZUCKMBOO-IBGZPJMESA-N 404.471 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(OC)C1CC1 1539323666 IJMLQAAJPICNNR-OXQOHEQNSA-N 404.536 1.458 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1540040124 MNLGGWCGUHEYPE-MRXNPFEDSA-N 405.499 1.383 30 10 HDEE C=CC1(CC(=O)N2CCC(NS(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1540646331 GMWHOILHRWRZQM-UHFFFAOYSA-N 401.529 1.340 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1540872092 CEDZMAYWMXLLNA-GOSISDBHSA-N 414.485 1.415 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)C)cs1 1542926130 QKYFENOXKMJPNU-OAHLLOKOSA-N 403.512 1.135 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc(C)s1 1545877510 DXSDHBSIBRMCKD-QGZVFWFLSA-N 406.491 1.847 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nnc2n1CCCCC2 1548184927 HNRAGSAIIKPDNI-HNNXBMFYSA-N 400.487 1.104 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1555719629 HKILQCQZPOYKDU-IAGOWNOFSA-N 413.434 1.594 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC)cc1 1561578666 YRDXXTZJTUNEND-UHFFFAOYSA-N 408.501 1.475 30 10 HDEE C#C[C@H](NC(=O)NCCCCn1cc(C(N)=O)nn1)c1ccc(Br)cc1 1564912526 HKTMXCLBBIQCIR-AWEZNQCLSA-N 419.283 1.593 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1565629461 AIFVPXKAZNSAFW-NXVVXOECSA-N 402.361 1.137 30 10 HDEE N#Cc1ccccc1/C=C/C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1567787628 SXXCHLSERYNXJG-AATRIKPKSA-N 416.425 1.549 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)/C=C\c1ccccc1C#N 1570276008 SMJDDPHUGPVHTH-TWGQIWQCSA-N 403.435 1.895 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1 1583612001 LHQZWGPMXVRSJU-KRWDZBQOSA-N 404.488 1.786 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cnn1CCC#N 1587451663 CWZYJCYKBSNRNU-IAGOWNOFSA-N 400.527 1.368 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1nn(C)cc1Br 1587771171 QNGYPBGKOINNTO-UHFFFAOYSA-N 416.283 1.963 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1588020704 SXUYZSWYVXLSGF-UHFFFAOYSA-N 413.956 1.842 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN(C)CC(F)(F)F 1588024935 QOJOPUSOGQUWAE-GJZGRUSLSA-N 403.449 1.956 30 10 HDEE COC(=O)c1ncoc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1588290668 IGWPILFUKXKZPE-DAIAYTDJSA-N 418.450 1.864 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(COC)c1 1588560565 SNKNJZIRXFDZHD-UHFFFAOYSA-N 411.506 1.795 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1589382584 OIIFGMLPAMZOEY-INIZCTEOSA-N 404.272 1.503 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1589545676 ONNREVBHYBXWBK-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1594144028 VPCBSYFMKKRBES-IKGGRYGDSA-N 410.540 1.593 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1594498399 UUCXKJIYYQIAPD-QGZVFWFLSA-N 404.559 1.595 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1595133370 FIBBIEDTEUJQAX-WMZOPIPTSA-N 415.469 1.976 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@H]1C 1595576906 BJONHBJQNFCNLG-UONOGXRCSA-N 402.524 1.807 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1595905459 LDWJDZAFBVKGQN-NJAFHUGGSA-N 423.583 1.978 30 10 HDEE C#CCN1CCC(NC(=O)c2cccn3c(I)cnc23)CC1 1596610689 UQOXEKQQFHRWJV-UHFFFAOYSA-N 408.243 1.766 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC12CCN(C)CC2 1607351800 BSIPVXBUENBMNO-KRWDZBQOSA-N 418.563 1.837 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618729809 CZNAUOUKRYFFBR-IRXDYDNUSA-N 416.478 1.051 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 1620633365 OONSPMUZFRGRPU-NRFANRHFSA-N 402.495 1.526 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(CS(C)(=O)=O)CC1 1621714822 FGENSOAMAMJQBG-AWEZNQCLSA-N 401.529 1.905 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nccc(C)n3)cc2)CC1 1623088411 RMKSPHGSWDEJKI-UHFFFAOYSA-N 414.491 1.069 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H]2C(=O)Nc3ccccc32)s1 1623674665 SZAOTGDLSAKQBK-OAHLLOKOSA-N 419.528 1.997 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1627058384 WZPTXIJYLCSUSO-QGZVFWFLSA-N 423.558 1.632 30 10 HDEE C=CCONC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1627703732 OGKGDWMGIRNHOI-HNNXBMFYSA-N 402.476 1.956 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1630751730 TYUJKONKDCNLAF-KURKYZTESA-N 421.538 1.779 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1631099333 ZDLRRLZAWGJNNL-UHFFFAOYSA-N 422.279 1.852 30 10 HDEE N#Cc1cn(CC(=O)N2CC(Cc3cccc(Br)c3)C2)c(=O)nc1O 1631166917 JHCDTOVCRJSMRW-UHFFFAOYSA-N 403.236 1.284 30 10 HDEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1)C(=O)OC(C)(C)C 1631705124 UIAAOPFYTDOYKN-UHFFFAOYSA-N 415.556 1.423 30 10 HDEE CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1632106422 FGUFFYGLYWAGLU-UHFFFAOYSA-N 421.519 1.696 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@@H]1CCCO1 1634469021 CIKAVCJBXMRVQA-WMEZAQDKSA-N 401.511 1.588 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 1634509459 DHCXCOYBQARLQN-HZPDHXFCSA-N 404.536 1.700 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1 1636819475 ZQXVCZMVWDGVCI-UHFFFAOYSA-N 402.428 1.022 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)C1 1638397650 KHYWMXANSWKODE-DLBZAZTESA-N 408.424 1.986 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)CC1 1639425967 UAIVRYWHOMFWBD-UHFFFAOYSA-N 417.510 1.400 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1640152080 QYKUWIWMJZQMGS-MRCUWXFGSA-N 410.405 1.891 30 10 HDEE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC#C[C@H]1CCCCO1 1640373990 BRVFSURTXHJCMQ-CYBMUJFWSA-N 405.248 1.734 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1641354329 XENTVEVSDIWJQK-ZBFHGGJFSA-N 413.565 1.914 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N2CC[C@H](C)Sc3ccccc32)c(=O)n1CCO 1641368563 LYGXEIWYVKLGES-ZDUSSCGKSA-N 414.487 1.100 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1(CO)CCC1 1644326871 GQDOPYCWYLSJLJ-MRXNPFEDSA-N 407.536 1.809 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636543 FVBVARWOZOZZAE-WQGACYEGSA-N 412.309 1.646 30 10 HDEE C=C[C@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1646305121 WWFDEGRLXWXINR-OAHLLOKOSA-N 408.454 1.645 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)c1 1646419537 FQZAFZOEUKJGLE-LJQANCHMSA-N 404.492 1.320 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)c1 1648445880 OGVQMJHQVITIMH-KOMQPUFPSA-N 421.519 1.631 30 10 HDEE C=CC[C@H]1CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1656411853 WHIRNELAKVTOER-INIZCTEOSA-N 409.508 1.305 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 1660672786 WICBJBRCJYOFQE-RMJJICAUSA-N 419.570 1.476 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C1CCOCC1 1664580145 QOUOQVFSAVHRSJ-OAHLLOKOSA-N 416.521 1.164 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1)C(C)C 1665701350 LOWMVSCRLGNYQU-GOSISDBHSA-N 412.542 1.902 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(-n2nnnc2C)c1 1668680173 LVWQIHPCSWJSBL-UHFFFAOYSA-N 400.439 1.788 30 10 HDEE C[C@@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N1CCN(C)CC1 1676865282 KDHUUECKKMCRGJ-KRWDZBQOSA-N 424.553 1.194 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 1678326986 IAKILNCFOVHVHH-QFIPXVFZSA-N 406.442 1.753 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1679784755 SJOCEXSZSIPOCS-QGZVFWFLSA-N 420.539 1.211 30 10 HDEE C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1685541796 YQDKAAQFBWQMAC-ZDUSSCGKSA-N 400.460 1.739 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H]1C 1689838995 BJBZMZZSKLUHDE-IRXDYDNUSA-N 405.510 1.863 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1689873833 YKWXKTCUFNVZEW-OAQYLSRUSA-N 403.527 1.994 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1689942907 HIFCFZYOPDJQHL-SJLPKXTDSA-N 400.527 1.332 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1689965734 CBPDMTJAESFWTR-MRXNPFEDSA-N 419.526 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(C(C)(C)C)s1 1689998793 WQUHHTHDZWZJDW-UHFFFAOYSA-N 411.535 1.784 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1690003730 VXDIYILVZLLHJW-VGOFRKELSA-N 413.522 1.306 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1690067536 AUVCQFUNZUPJKW-UHFFFAOYSA-N 424.530 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC=C 1690108128 QBNDHRYYQBREHZ-SJLPKXTDSA-N 403.527 1.585 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1690137273 RXVIAGDAPOATLI-QGZVFWFLSA-N 400.571 1.883 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCCOC2)C1 1690180944 NTLXHYNWMAEKRR-FQEVSTJZSA-N 403.552 1.774 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC 1690205988 DLEGYJQMXSRPSC-VQIMIIECSA-N 409.556 1.793 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(C)C 1690206179 IXKDZEOYMJUDJW-FXAWDEMLSA-N 407.584 1.903 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(N)=O)CC1 1690249742 ABENZWTVJNJNKR-AZUAARDMSA-N 410.522 1.947 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690373136 AHQLMWSPIYQOCB-MXLIYFDZSA-N 412.494 1.855 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCC2=O)C1 1690697647 ZNWGXBNKLXAFBX-QGZVFWFLSA-N 411.510 1.919 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690724347 MXJUHCSPAAMTAN-KBAYOESNSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C)C1 1690725140 GXBGTXDYEHNXRP-OAHLLOKOSA-N 408.499 1.834 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1690794293 MTBCKWUFDKFKIX-SFHVURJKSA-N 424.505 1.558 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1691001181 DRMXSKQJHDMOKX-LSDHHAIUSA-N 411.514 1.386 30 10 HDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)s1 1693446458 IDGRBYJBLNOUIN-GFCCVEGCSA-N 410.507 1.920 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1694781302 PQOUIBCWOFLQNG-KKSFZXQISA-N 407.478 1.010 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1698228428 WCZBCUMWKRCQNQ-BJMYLWLSSA-N 416.526 1.751 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1705534725 PSFZFHJJAOCWSE-QGZVFWFLSA-N 418.523 1.056 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1705535146 BZWTZCMKWVDQCF-UHFFFAOYSA-N 411.506 1.586 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705553487 YRDZUVHFWOZJFQ-NHCUHLMSSA-N 409.534 1.856 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C 1705706193 QREYHIWDEGAAAY-GUXCAODWSA-N 416.526 1.049 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@](C)(OC)C1 1705898878 AKMPMKMAYAZKLX-NRFANRHFSA-N 413.478 1.981 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2C1 1705903555 YAILSUBGCWGAMK-ZDUSSCGKSA-N 403.433 1.925 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1705908928 JITGOAVDRMFGLY-QINHECLXSA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCCCC1 1705938884 LWIZEECJAZCXPL-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1706076205 ZFNKXMKNSBXIOP-JHJVBQTASA-N 403.455 1.200 30 10 HDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709851872 FLHIWSVPUYPMAL-MRXNPFEDSA-N 411.466 1.191 30 10 HDEE CON(C)c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1712664045 ULSONIGLSKAQOV-FMQUCBEESA-N 410.478 1.977 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722331627 MORUMIFWDXTFFS-UHFFFAOYSA-N 411.510 1.271 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722362223 MTRXKOIBKQLQOY-DZGCQCFKSA-N 423.926 1.655 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1722434468 SFMVTQLVNXMKPD-SFHVURJKSA-N 412.444 1.996 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC(C(=O)NCCOC)CC1 1722483985 GOUBCABJEMTFOZ-UHFFFAOYSA-N 400.321 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)[C@H]1CC 1722506072 DKJSNEDZMRZPFB-XDNAFOTISA-N 403.527 1.868 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1722565642 AXDKJCYBNBCYBG-OAHLLOKOSA-N 400.570 1.452 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722603620 ZIUFVAOFGMIMCP-MRXNPFEDSA-N 419.555 1.857 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1722614428 NBNQARGAASDZQQ-UHFFFAOYSA-N 401.471 1.433 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1722664984 DYNOMPMILNVXIW-XLIONFOSSA-N 424.567 1.933 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1722680865 BVFIKYKVJYOZLN-MAUKXSAKSA-N 400.545 1.226 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740624892 MNMAITFGNNJIJC-KMFMINBZSA-N 419.576 1.917 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)OC 1740676924 CECFCDPRYSSCDH-HUUCEWRRSA-N 423.514 1.702 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCN2CCCC2)CC1 1740691683 AUFBXMNMEXXCSZ-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740705656 KKMRXKNYKMEBHX-KRWDZBQOSA-N 400.527 1.065 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1740730559 BSXRPJXAGYWRPV-DNVCBOLYSA-N 402.524 1.263 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740741577 NPGAENZNEGRWQK-JSGCOSHPSA-N 403.284 1.964 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1740878257 JMTSIZWNJLFEKG-UHFFFAOYSA-N 423.521 1.778 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1741130680 BCFISYXYSFPUBT-IRXDYDNUSA-N 422.599 1.898 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCn2ccnc21 1741657799 GFJDAENUSGBMQY-AUUYWEPGSA-N 400.462 1.632 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1746541108 HVKKKMSHINYATL-INIZCTEOSA-N 404.496 1.262 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1748672425 UHOYLYOEMCCTKL-KRWDZBQOSA-N 424.553 1.682 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748708202 ZGJUFADSCQCSKB-OAQYLSRUSA-N 409.494 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCCCC2)CC1 1748991488 YPCIIZMMPVQQBD-SFHVURJKSA-N 413.570 1.249 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1749574814 GCHCZQWRHMKHLY-MSOLQXFVSA-N 421.567 1.617 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749664485 OUTDFVIKBBFDQQ-ZDUSSCGKSA-N 407.471 1.010 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752734477 LBVDGNMFVDWEAC-BQOWYSNXSA-N 411.466 1.869 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1 1760123802 LIGSGFPRHWGGGA-MRXNPFEDSA-N 400.479 1.865 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760143774 RCQQOTVWTMDNNO-LAUBAEHRSA-N 401.511 1.702 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C(C)C 1760162878 IXDWSWBMUCQBOI-UHFFFAOYSA-N 416.913 1.703 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760186473 NUJWKDMUFHSLOG-MSOLQXFVSA-N 407.584 1.445 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1760192236 GVRKGRLKYWSRDX-IBGZPJMESA-N 416.547 1.992 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1760231761 FXOXZLCMACJLFW-NDEPHWFRSA-N 422.580 1.466 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1760233319 KMKAYMQKUSSPHV-MRXNPFEDSA-N 409.556 1.673 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1760235805 XYHIGDSYRNRAQC-OAHLLOKOSA-N 405.405 1.631 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCN1c2ccccc2C[C@H]1C 1760242454 DCPVMZWVJQXCLP-GOSISDBHSA-N 424.549 1.954 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1760272207 CHTJPJNZQRGTAT-UHFFFAOYSA-N 418.567 1.374 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760325231 PWFKSMHZUAOUIC-UTKZUKDTSA-N 422.489 1.646 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760526540 BMBKCYFANIMWMM-QFIPXVFZSA-N 408.506 1.224 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1760543761 VKYAELHUWMZAAI-SJLPKXTDSA-N 417.514 1.128 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC(=O)NCc1ccccc1 1761194722 FLTPOBCMPHZDNF-MRXNPFEDSA-N 411.510 1.861 30 10 HDEE CCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cs1 1764647054 MQCNIIXIPBQJSP-CQSZACIVSA-N 401.496 1.310 30 10 HDEE CCOC1CC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1766111828 CRBABEUHNRDBDW-SOEBMCCKSA-N 409.556 1.981 30 10 HDEE Cc1ncn(CC(=O)N2CCCc3nc(C#N)cc(Br)c32)c(=O)c1C 1848818673 OUCSYSLJDSRUGT-UHFFFAOYSA-N 402.252 1.869 30 10 HDEE N#Cc1ccc(CCC(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1850235352 NLPIOXGTMVTNJW-UHFFFAOYSA-N 413.499 1.828 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3cc(I)ccn3)CO2)nc1 1851305923 ZQJUKMNWSDPGIT-GFCCVEGCSA-N 422.182 1.930 30 10 HDEE Cc1cc(C)n(CC(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)n1 1852614154 JGQVFXRDQFDQBQ-UHFFFAOYSA-N 408.915 1.847 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4)C3)C2=O)CC1=O 1854884235 VGSAKFPMBRDSOH-VQIMIIECSA-N 412.490 1.087 30 10 HDEE COCc1cc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)n(C)c1 1854946332 AAFMRBSUWQNAGO-SJLPKXTDSA-N 401.511 1.222 30 10 HDEE COc1cncc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1C 1855119069 TUFBHQCNRNZGTD-HNNXBMFYSA-N 406.442 1.826 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855599609 CGKPGPMOVJFJDN-MJGOQNOKSA-N 416.522 1.157 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1Cc1c2c(nn1C)CCC2 1855701097 OPOPEMVCBIDLRO-INIZCTEOSA-N 405.502 1.973 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](C2CCN(CCC#N)CC2)CC1=O 1856160985 UXHVIPTXNLGJNZ-MRXNPFEDSA-N 403.504 1.704 30 10 HDEE CC(C)(C)C(=O)CN1CC[C@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)C1 1856560598 ZISNGPPTVOWXDZ-IBGZPJMESA-N 410.518 1.461 30 10 HDEE Cn1cncc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856590595 ZFUIVDRVBIHSEN-UHFFFAOYSA-N 405.458 1.772 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4cncnc4)C3=O)CC2)n1 1856972653 WUYLEGSFPAFFII-SFHVURJKSA-N 406.446 1.275 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)C[C@@H]4CCOC4)C3=O)CC2)c1 1857015538 MWXANFYAUPTAFY-OALUTQOASA-N 412.490 1.598 30 10 HDEE N#Cc1ccc(NC(=O)CC[C@@]2(c3ccc4c(c3)CC(=O)N4)NC(=O)NC2=O)cc1 1858173839 SQRXWJBZSFGPCP-NRFANRHFSA-N 403.398 1.506 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 1858394043 PTOJYMSLNDBOMI-DZGCQCFKSA-N 408.380 1.899 30 10 HDEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871478125 SKMBTKRAMUFRCK-UHFFFAOYSA-N 410.482 1.295 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(N3CC(O)C3)ncnc21 1873656014 IEGLFSJDBLBDIO-UHFFFAOYSA-N 424.417 1.967 30 10 HDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCOCCO)ncnc21 1875230934 TYTCVBZAZYTXIS-GASCZTMLSA-N 403.483 1.288 30 10 HDEE C=C(CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)B1OC(C)(C)C(C)(C)O1 1883700074 ASVLDDAOSIIZKQ-UHFFFAOYSA-N 420.296 1.390 30 10 HDEE CC(C)(C)OC(=O)N1CC(OC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010406546 VZZPJBCURZBUGD-UHFFFAOYSA-N 420.275 1.944 30 10 HDEE C=C(Cl)[C@H](O)CS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019022172 VETBCIPYRRRARW-ZIAGYGMSSA-N 419.883 1.673 30 10 HDEE C#CCCN1CCC[C@@H](COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)C1 2086865133 OOQCFSYTTCJADW-BEFAXECRSA-N 423.469 1.202 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2118167338 ITJBSRDQOGQAGH-UXGGDIESSA-N 406.530 1.184 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)CC2(C#N)CCOCC2)CN1C(=O)OC(C)(C)C 2174785524 ZXHDDDTVCDLDTG-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NCC1CCS(=O)(=NS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174787704 XCSALZROWSBYCD-MEBGZYETSA-N 420.557 1.479 30 10 HDEE CN(C)S(=O)(=O)C[C@H](N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(F)(F)F 2195876867 BVMBRGHVXFZLRE-HOTGVXAUSA-N 404.458 1.519 30 10 HDEE C=C(Br)CS(=O)(=O)NCCn1cnc(I)c1 2211760319 ZPIMCQJSXXWMGR-UHFFFAOYSA-N 420.070 1.316 30 10 HDEE C=C(CS(=O)(=O)N1CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2241480895 PGKYWMYOLBXROK-UHFFFAOYSA-N 402.322 1.713 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2243685844 CNXZLSYWEWQIKD-LSDHHAIUSA-N 408.304 1.875 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247823802 RTIPGDHAFHIEFD-HXUWFJFHSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828408 NFXYAKNOLCMZMB-STQMWFEESA-N 420.319 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247840012 GNXDLEWKBAZCIV-UHFFFAOYSA-N 424.282 1.398 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247857399 GXMDEXMEPRTOKI-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248404010 JOVFHAPWYXYWNI-OAQYLSRUSA-N 422.331 1.890 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248486824 NDSIDJMGSITZOP-CYBMUJFWSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2249998307 HCZGJECUFMWQRN-INIZCTEOSA-N 421.347 1.727 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161235 ZPRQBNDSUFLUTI-GDBMZVCRSA-N 411.480 1.266 30 10 HDEE C=CC[C@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)F 2258163110 ZDSATQUWPQRNSI-GUYCJALGSA-N 420.434 1.885 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(NS(C)(=O)=O)C3)sc2Cl)OC1(C)C 2281965858 FOANHOVDSQJCAZ-UHFFFAOYSA-N 420.749 1.074 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@](N)(CO)C3)sc2Cl)OC1(C)C 2281972743 NMRCMQWAIOLFOP-KRWDZBQOSA-N 400.737 1.627 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](N)C1CCC1 2282310250 RFTRCZIWSYTZEQ-CYBMUJFWSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H]3[C@@H](C2=O)C3(F)F)OC1(C)C 2282502733 PCKDSJDZMVQPRR-KCJUWKMLSA-N 405.253 1.460 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H](C)CS(C)(=O)=O 2282606119 NZXQYZBCKVHXKV-NSHDSACASA-N 402.347 1.338 30 10 HDEE CC12CC(NS(=O)(=O)Cc3ncsc3B3OC(C)(C)C(C)(C)O3)(CO1)C2 2282843518 OUVNNEUQMPXHCF-UHFFFAOYSA-N 400.331 1.183 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883253 XUABXQCFWNGALV-LLVKDONJSA-N 423.387 1.101 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CCCC3(CC2)OCCO3)OC1(C)C 2283072012 LNPUBOCHPWUHGY-AWEZNQCLSA-N 403.288 1.581 30 10 HDEE CC[C@@](C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284395894 QPGXWPGZBNRJML-INIZCTEOSA-N 403.331 1.827 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398531 ZBJWWIZCJLQQAH-GFCCVEGCSA-N 401.677 1.557 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCO[C@H](P(C)(C)=O)C2)OC1(C)C 2289238404 JZUINBZUMDOMND-GFCCVEGCSA-N 400.246 1.864 30 10 HDEE COc1[nH]c(=NC[C@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2301563095 WFJNONDLFQSEHW-CYBMUJFWSA-N 423.319 1.109 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(F)c2)CC1=O 2329012553 CGSSGGZJTATTLQ-ZDUSSCGKSA-N 404.471 1.601 30 10 HDEE CC1(C)COC[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2361159672 ZZXPNZPCBLHGEH-GFCCVEGCSA-N 401.359 1.998 30 10 HDEE C#C[C@H](C)N1CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 2362089198 SUYOBSZUHLSCPS-LEDOBFOHSA-N 413.518 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365196186 JTBUYNBUSZKWMD-IFXJQAMLSA-N 402.557 1.681 30 10 HDEE COC1([C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCC1 2365200481 YTFYOFNTHLUEEL-GJZGRUSLSA-N 402.557 1.993 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365207187 MBDIKBDYYUETRU-SPYBWZPUSA-N 400.541 1.427 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2365628565 LMHIMJOXVCPXST-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367784406 BISNAAIGVHQSLW-KFWWJZLASA-N 400.541 1.745 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792321 NLNDNSZXUHJHLH-KGLIPLIRSA-N 403.497 1.588 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367795123 KXMRXOUTVAKHEG-HRCADAONSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367806470 KUOFDMIQCJYTCQ-BORJPKMPSA-N 400.541 1.339 30 10 HDEE CN(C[C@](O)(C(=O)C#CC1(S(C)(=O)=O)CC1)C(C)(C)C)C(=O)OC(C)(C)C 2367856607 SVNLZFMXDJVJDB-IBGZPJMESA-N 401.525 1.780 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2375788003 LDBXYVYTHDJJLE-ACJLOTCBSA-N 402.513 1.255 30 10 HDEE Cn1nc(Br)nc1[C@H](O)[C@@H](N)C#Cc1ccccc1Br 2382062660 XVMKGNOHFIXQNQ-WDEREUQCSA-N 400.074 1.753 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cc(OC)ccc1OC 10063376 WNFFEMCKKRGEDX-UHFFFAOYSA-N 420.491 1.426 30 10 HDEE C=CCOC(=O)C1=C(C)OC(=O)[C@@]12C(C(=O)OCCOC)=C(N)Nc1ccccc12 20569123 XESLWQPLTPUKBO-OAQYLSRUSA-N 414.414 1.270 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)cn1 59887475 XTQZAGZXBSTGBW-OMCISZLKSA-N 405.444 1.121 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(N3CCN[C@H](c4ccccc4)C3)nc2)CC1 65256142 ZJDKQJOCIHZPGC-NRFANRHFSA-N 404.518 1.904 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 107131745 LQQVURUBFJKELJ-RMGMCPHSSA-N 422.474 1.605 30 10 HDEE C#CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@H]1CCS(=O)(=O)C1 111047896 OZYHKZSBPZOMGE-AWEZNQCLSA-N 405.545 1.949 30 10 HDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C(\C)c2ccc3c(c2)OCO3)[nH]1 253570994 OJHIERLOBQTFPN-DJKKODMXSA-N 406.424 1.734 30 10 HDEE Cc1ccc(S(=O)(=O)c2nc(C=NNC(N)=S)oc2N2CCCCC2)cc1 254707751 HVKIKNYWDMWLOV-UHFFFAOYSA-N 407.521 1.973 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C2CC2)C(=O)C1 410228480 HRAVLECZPKFHTN-UHFFFAOYSA-N 422.279 1.931 30 10 HDEE CCOC(=O)c1csc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 432831312 XJWZKFLSACIUAS-UHFFFAOYSA-N 420.516 1.698 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 442978629 DBPKAPBSMYGLGG-ILEACXBISA-N 409.552 1.542 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460388698 QWFOWTMVMVBRCN-GJZGRUSLSA-N 421.505 1.858 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1C[C@@H]1CCCO1 460926960 RGRFLRNHHLCPBH-RDJZCZTQSA-N 408.510 1.786 30 10 HDEE COCCN1CCCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1=O 469691705 SIYJWVMBQYGJBN-UHFFFAOYSA-N 411.424 1.354 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C3CC3)[C@@H](COC)C(=O)OCC)cc2C1=O 472848970 LFLNTCVTOHDISU-KRWDZBQOSA-N 400.431 1.651 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cn(C)nc1-c1ccc(C#N)cc1 490356828 YTXHWZIOQDTMQQ-YRXWBPOGSA-N 408.458 1.884 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506196382 YFBVWWHJCSXXSY-OAQYLSRUSA-N 423.510 1.508 30 10 HDEE C=C(C)[C@@H](CC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)OCC 506867480 ZUHQAXSIOXPVAS-RBUKOAKNSA-N 417.554 1.739 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)(C#N)CC2)cc1OCC 509407514 ZSTZGPPVLSOMDC-UHFFFAOYSA-N 409.508 1.915 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2cccc(C#N)n2)CC1 546208475 AKVWVJXIQBBGLU-GOSISDBHSA-N 420.517 1.836 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(CO)Cc3ccccc3C2)CC1 557703793 BOOBGBSKHHGPKE-LJQANCHMSA-N 410.543 1.576 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(Cc2ccccc2)nn1 559028299 UDIKTRDZCQKLHT-CQSZACIVSA-N 410.459 1.504 30 10 HDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)S(=O)(=O)CC2(C#N)CCCC2)CC1 570755106 YXGJXFVJKMXIEZ-HNNXBMFYSA-N 405.586 1.782 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)NC[C@@H]3CCCO3)c2C#N)C1 586299285 LHQVZGTWRWRGLO-UFEGIJMPSA-N 423.560 1.727 30 10 HDEE N#CC1(CC(=O)NC[C@@H](O)COc2ccc(I)cc2)CC1 590304110 YVIGQVUXJHYDTI-GFCCVEGCSA-N 400.216 1.841 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@H]1CCS(=O)(=O)C1 731213811 UBAZWZBNSAXMJQ-HOTGVXAUSA-N 405.545 1.999 30 10 HDEE CC[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 732702659 VXRZTHQGZZQHKN-MJGOQNOKSA-N 413.522 1.986 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732796728 HELMQLKOCVLEPV-UHFFFAOYSA-N 414.531 1.596 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@@H](C)O)CC1 736199845 XZMSWGVHGXRTIR-PBHICJAKSA-N 407.536 1.759 30 10 HDEE CS(=O)(=O)[C@H]1CCCC1=NNc1ccccc1S(=O)(=O)N1CCOCC1 745200463 DXOGYNRMEXIIBH-HNNXBMFYSA-N 401.510 1.073 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC(F)F)C1=O 751926526 VNNKWGCSEVZFMD-KMEDIVRHSA-N 413.494 1.257 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC3(CS(C)(=O)=O)CCOCC3)cc2C1=O 756635339 KZKLXKOEWXYIPK-UHFFFAOYSA-N 421.471 1.467 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760388086 KZARITQZLANWFT-UHFFFAOYSA-N 419.507 1.753 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)C1 761758832 BHEOXYVHYIZXKT-NHCUHLMSSA-N 400.523 1.405 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 762585904 VGCMJUHXDYSYTD-RUIRWZRLSA-N 406.483 1.665 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)cc2)c1N 763775275 NBQTZOYYBDGEID-QZTJIDSGSA-N 407.430 1.884 30 10 HDEE CCOc1ccnc(N2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)n1 767824058 VZPPMOYLZTYIQY-UHFFFAOYSA-N 402.480 1.111 30 10 HDEE C#CCN(Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 768932624 YGTZZHXRQOFZFJ-SJLPKXTDSA-N 422.547 1.563 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCC 772896223 CKCJFUPJPMMMLS-UHFFFAOYSA-N 404.495 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 777287227 ZIKAFENXPWKCRN-UHFFFAOYSA-N 409.464 1.140 30 10 HDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 784740944 LRULXARUMWSFSS-SFHVURJKSA-N 420.535 1.818 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)n1 788365478 HUMXNXWNUKSORG-KRWDZBQOSA-N 423.473 1.474 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnccc2C(F)(F)F)n1 788695423 MYWFLTCHRRAZCQ-UHFFFAOYSA-N 402.398 1.767 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(C(=O)OC)cc2)n1 788695484 PONOMLNUAQIAAY-UHFFFAOYSA-N 405.476 1.281 30 10 HDEE C[C@@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCC2 790676366 GDDLHQKEWFPCAW-MPBGBICISA-N 415.471 1.592 30 10 HDEE CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc(C)c1C 798744330 KBJQRNHKIZYKHG-SNVBAGLBSA-N 405.436 1.748 30 10 HDEE C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 809305460 DHIBLCQKCQYBFH-YESZJQIVSA-N 408.401 1.485 30 10 HDEE C#C[C@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 809796462 LGCUPKDHPMCUPH-MRXNPFEDSA-N 407.536 1.553 30 10 HDEE C#CCCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 810779817 CCTGTZCEJASVCO-UHFFFAOYSA-N 418.924 1.210 30 10 HDEE CC(C)CN(C(=O)COC(=O)c1cc(C#N)cc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 814571914 FSEAARBEDLESPO-KRWDZBQOSA-N 421.519 1.453 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 918756683 WQHHDKNCOUYBSZ-GOEBONIOSA-N 406.529 1.410 30 10 HDEE CCN1C(=O)c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc2S1(=O)=O 1126757856 BCDOUXZAZJCRMN-UHFFFAOYSA-N 401.448 1.926 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1ccc(F)c(Cl)c1 1134645261 FBHVEOVECXBLCN-APPDUMDISA-N 423.857 1.379 30 10 HDEE N#CCc1ccsc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1135773061 WLMCBFZMIIMWJE-UHFFFAOYSA-N 405.501 1.765 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)cn1 1138095136 LAVMUZQHLRSJKZ-OAHLLOKOSA-N 409.427 1.702 30 10 HDEE C/C(=C\C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)CN1CCOCC1 1146298612 NEKULBFCVKJQIT-NBVRZTHBSA-N 420.517 1.875 30 10 HDEE N#CCN1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1147283347 HMUSTIVVBRODNF-UHFFFAOYSA-N 400.298 1.281 30 10 HDEE C#C[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1)C1CCOCC1 1148194705 PIRFLJKBLOIBFR-DXIQSLLYSA-N 400.475 1.693 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CNC(=O)Nc1cccc(Cl)c1 1151230653 COSZYZMECKCBAC-UHFFFAOYSA-N 403.830 1.532 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)nc1 1168358204 HTEQLLIDCXVWJZ-UHFFFAOYSA-N 417.513 1.759 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCc2n[nH]cc2C1 1168520633 IUFYQQIZALOFGV-KRWDZBQOSA-N 415.519 1.838 30 10 HDEE COC(=O)c1ccccc1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1178958671 GSCBCXZQOOKKIE-UHFFFAOYSA-N 400.456 1.619 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@H]1CCCOC1 1180060143 SZASFILLQQSZSH-ZDUSSCGKSA-N 403.464 1.302 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)cc1 1199059402 SLBOEFUXRRNVKR-FUHWJXTLSA-N 401.463 1.889 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1251830659 KNKCMHMQPFMHGV-KNQAVFIVSA-N 401.507 1.833 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[C@@]4(CO[C@H](C)C4)O3)CC2)c1C#N 1255569031 PEEXGGJTLKRYKM-FRIZHTMISA-N 405.524 1.881 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)nn1 1264968003 JGOYEMYNHIVTPG-UHFFFAOYSA-N 408.506 1.591 30 10 HDEE CC(=O)N[C@](C)(C(=O)Nc1snc(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 1270192313 YHTYKGSLAQKISC-KRWDZBQOSA-N 406.489 1.717 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1286362361 XBWATIOJYCFPEJ-GFCCVEGCSA-N 411.915 1.668 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1ccnc1 1286397739 CHXCJYOZJBZWPV-UHFFFAOYSA-N 413.485 1.821 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2F)CC1 1286480342 LPMIISZZFGLQCH-KRWDZBQOSA-N 414.485 1.540 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1286550012 YTIXZDJDDDJOAW-UTSKFRMZSA-N 423.583 1.962 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1286600835 DFTQMFMKUHANPJ-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1286786009 MJKAHAUYRANJGP-QZTJIDSGSA-N 423.521 1.612 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@]2(CCOC2)C1 1286791920 HGBYGCZECPKEMS-NRFANRHFSA-N 415.469 1.915 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286818433 IMVMTHURHXKGCZ-RHSMWYFYSA-N 420.539 1.283 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnn(C)c2)CCOC1 1288304652 GYFHQYWMMABZQO-MOPGFXCFSA-N 403.462 1.542 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCCNS(C)(=O)=O)C1 1288977657 QTNXQBFGPCVXHX-MAUKXSAKSA-N 410.544 1.241 30 10 HDEE COc1ncc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C#N 1289072594 YRNAPZDNSXVQLK-ZNMIVQPWSA-N 402.476 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300296039 QEMWZXYXVYAHIO-BQFCYCMXSA-N 416.551 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300298278 BKQUFMNTJANGMG-FUHWJXTLSA-N 410.526 1.136 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300358011 FPOQSIQOFWEPRM-UHFFFAOYSA-N 424.553 1.529 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1300431850 NCIBXOPZKAVTTM-QFIPXVFZSA-N 421.505 1.937 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300497371 AWRIKAROQBZNRL-XLIONFOSSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1OC 1300557414 SUAAYJQSEUYQGO-ULQDDVLXSA-N 407.540 1.166 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1c(C)noc1C 1300663941 LHZNJCSEBZVRBZ-XJKSGUPXSA-N 400.483 1.724 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)F 1300830616 HLSABHUYVTWAMJ-VIFPVBQESA-N 416.292 1.888 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CC)CC1 1301105480 KEIRRHYNSAVABE-DOTOQJQBSA-N 410.588 1.775 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)ccc1OC 1301182081 NZPMTGAWGVIKOO-UHFFFAOYSA-N 414.487 1.890 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1302292942 DVALGNAQBWFDPJ-ZHOIUHGQSA-N 419.526 1.672 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OC 1302428499 KDALZTMXBMBNNV-OAHLLOKOSA-N 417.491 1.784 30 10 HDEE C#CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 1303026842 SHMSADOBILXVFK-UHFFFAOYSA-N 408.505 1.273 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccsc3C#N)CC2)CC1 1307927561 JAZNSCRQDYRLKO-BQIYRTECSA-N 421.563 1.977 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)c1 1309076440 ISUFPBPDPORWLG-SANMLTNESA-N 405.501 1.940 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC4(CCOCC4)CO3)CC2)c1C#N 1313233395 ZQPQYLLFOVMNBB-KRWDZBQOSA-N 416.526 1.408 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C[C@H](O)CC(F)(F)F)CC1 1324407041 DQJKUQKDOFRXFR-ZXXIGWHRSA-N 400.441 1.649 30 10 HDEE C[C@H](c1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1)n1cnc(C#N)n1 1325518038 ZCLNZFGONPXZJV-CYBMUJFWSA-N 408.422 1.160 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)nn2)CCN1C1CC1 1335042455 HMAJNZFBWCFLDW-OAHLLOKOSA-N 401.268 1.842 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1358995595 XSVSOCLUHSIEKG-UHFFFAOYSA-N 417.510 1.410 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358999826 DYFCNSPUQHPWGV-OAHLLOKOSA-N 405.524 1.543 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359054711 DWGRQXXQXZDGFQ-UHFFFAOYSA-N 413.551 1.796 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1359291937 FGDHVFBLHHMTOT-VGWMRTNUSA-N 424.571 1.205 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359291988 GGBZDHWLNQKSAT-MOPGFXCFSA-N 417.602 1.699 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359331243 RWFBQQPAZJFUNR-WBVHZDCISA-N 418.523 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1359333461 YOQLTVIHLVUAPS-INIZCTEOSA-N 421.571 1.901 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1437899176 AKDNLLCNSZNSTI-ZDUSSCGKSA-N 409.895 1.648 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1438021359 VZGNEHZOPJJZCD-HOTGVXAUSA-N 405.476 1.867 30 10 HDEE C=CCNc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)s1 1442157524 WAGXEIFKSBYWPX-UHFFFAOYSA-N 421.548 1.929 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CN(C)CCN1C 1444414815 QCNAARZLLRCPLE-FNHVDWMWSA-N 419.570 1.524 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)CN2CCN(C(=O)CC#N)CC2)c(OC)c1 1460128894 SJRPOZCMDRYALB-GOSISDBHSA-N 400.479 1.425 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)[C@@H]1CCCO1 1463558721 IQSJUXNCQIWSQK-NEPJUHHUSA-N 405.245 1.146 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)ccc21 1466929877 LJFRVXFXCMQEFY-OAHLLOKOSA-N 419.507 1.124 30 10 HDEE COc1ccccc1OC[C@H](C)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1469440565 XTAUBMOSZRKOQM-ZRGWGRIASA-N 407.492 1.290 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 1469609980 ITIZYESEQDEAGV-VQTJNVASSA-N 410.518 1.145 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1471084877 YIYZMQCKXHENDJ-IBGZPJMESA-N 400.460 1.856 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OCC 1471583780 FFNNYPVYCLREBX-HNNXBMFYSA-N 415.537 1.380 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@H]3COC(=O)N3)CC2)s1 1472172776 KPUCEBHTEJWHEM-CQSZACIVSA-N 413.521 1.102 30 10 HDEE CC(=O)Nc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(C(F)(F)F)c1 1472370344 FLFXXGGBSMPAPN-UHFFFAOYSA-N 421.335 1.495 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c1 1475303987 GEJOPSLBVQNNJR-MAUKXSAKSA-N 404.492 1.535 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1475546503 QENTXFGZDVZGLU-ZDUSSCGKSA-N 404.282 1.481 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1475619828 RRALMTLBWLFOGC-AWEZNQCLSA-N 405.476 1.948 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)c1ccc(Br)cc1 1478895279 BHHZDPPUJBVSFY-CQSZACIVSA-N 400.298 1.586 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)n1 1492754306 WMUKWMOUQHAFQL-MSOLQXFVSA-N 415.498 1.064 30 10 HDEE CN(Cc1ccccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1503490859 QPYTVRPQBACJGZ-ZZEZOPTASA-N 418.461 1.831 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@](=O)C(C)(C)C)CC1=O 1503680499 AANUFBOLFZSJTO-LJAQVGFWSA-N 414.535 1.642 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)COC 1504576802 SPLPLASSERITOO-JFRXWTBNSA-N 418.542 1.461 30 10 HDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1504787971 BUWNGEOQOIAAER-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE COCCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1504812858 IQHUDVQUMDGZDI-GWOGKKTRSA-N 418.498 1.519 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(F)(F)C1 1505354092 MICHRTVXPGDJAY-XEVXXXDWSA-N 422.436 1.892 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507576907 XTUBPORZQLJNAF-IRXDYDNUSA-N 422.599 1.612 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N1CCOCC1 1507646644 QOUYHOMJEWCJJV-UHFFFAOYSA-N 416.485 1.368 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507698366 MJXPAOOAHQMMQH-UHFFFAOYSA-N 415.469 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1507708334 GSUNSGPLMUJRPN-UHFFFAOYSA-N 406.483 1.747 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507842437 AIUZTAVHRARKIK-FXAWDEMLSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508071558 AGIBKUDBUVAURZ-IAGOWNOFSA-N 421.542 1.436 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCSC2)C1 1508072790 SEFQZYLNROSDDS-IBGZPJMESA-N 404.540 1.150 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](OC)C(C)(C)C1 1508078839 KCJIBCWRKUYFOD-QGZVFWFLSA-N 413.478 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC=C)C1CC1 1508089198 WFFHHCWJNLGGMK-UHFFFAOYSA-N 419.489 1.649 30 10 HDEE CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514267359 MDIZBQWLTOVVSX-CDXJDZJCSA-N 402.543 1.900 30 10 HDEE Cn1nncc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1517428422 RXKLKUPTMZWKJZ-CYBMUJFWSA-N 400.393 1.053 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1519096876 ZNKFTOIXVJGBHM-IBGZPJMESA-N 413.474 1.012 30 10 HDEE CCOC(=O)c1c(NC(=O)CCCN2C(=O)CCC2=O)c(C#N)cn1CCOC 1525336006 TVWIWQWOZNNCMT-UHFFFAOYSA-N 404.423 1.051 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1sc2ccc(C#N)cc2c1C 1531588637 ZVFCJXABRQODIH-CYBMUJFWSA-N 406.485 1.884 30 10 HDEE CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1536971017 BGEILDMYQYCSGE-VMSUTVGLSA-N 413.455 1.880 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539045324 SJHAJKJMRWEZQM-IBGZPJMESA-N 415.586 1.436 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539104100 BXUAYCMBEXEODU-NRFANRHFSA-N 419.493 1.297 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1CCC 1539414822 ZKSSLMDJYDLEAJ-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCOCCCO 1539552032 HZOABXVURBMBKD-HXUWFJFHSA-N 401.467 1.397 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1540013133 LDALUORAJSRNIA-UHFFFAOYSA-N 401.515 1.577 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ncnn2C(C)(C)C)C1 1540889046 CYSDBMMZHGBHFR-HNNXBMFYSA-N 409.498 1.911 30 10 HDEE CC(C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1/N=CC=CC1=O 1541336469 SVUPPLKPXMONFM-JRGNNQFRSA-N 414.510 1.525 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cs1 1542913564 CHRLFMARHNUPNJ-ROUUACIJSA-N 405.503 1.142 30 10 HDEE CCOCc1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1548091023 JVHQPVSWOQJNMJ-HNENSFHCSA-N 418.498 1.204 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1554433846 MXHQIYFEMOOBIF-KRWDZBQOSA-N 400.458 1.764 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1(C)C 1555168946 SXNFTQMUMIBKEE-GCJKJVERSA-N 410.522 1.745 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1 1555670649 VSLLRPGAAXFUSL-ROUUACIJSA-N 406.531 1.607 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 1557384266 LMVXMOFNGHWBJC-KRWDZBQOSA-N 405.414 1.509 30 10 HDEE CCN(CC)C(=O)N1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1557894538 CNTZVMXTJUOXBA-UHFFFAOYSA-N 403.487 1.230 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1558511746 YGHMYFSGYOPVJD-GUXCAODWSA-N 416.503 1.327 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc3ccccc3s2)CC1 1564072855 BBNHCGZAHHUEFH-CYBMUJFWSA-N 407.521 1.152 30 10 HDEE C#CCN(C)CCCNC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1 1564847301 KKKMECPJXKEZHE-UHFFFAOYSA-N 415.494 1.839 30 10 HDEE C#C[C@H](NC(=O)NC[C@]12COCCN1C(=O)COC2)c1ccc(Br)cc1 1565000196 UKRGUQSTLBZSDZ-MAUKXSAKSA-N 422.279 1.050 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCN2Cc2ccccc2)C1 1570581718 HEKRNUDDTIXHSZ-KRWDZBQOSA-N 424.526 1.712 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)c1 1583230475 CBDHDFPSFLAJPC-UHFFFAOYSA-N 422.894 1.846 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCC(=O)N=c3cc[nH]cc3)CC2=O)cc1Cl 1584708429 GGAPBQNWAICLJS-CQSZACIVSA-N 411.849 1.526 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 1587014735 YUZUUXFGQIZROT-CQSZACIVSA-N 415.397 1.608 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2ccsc2C#N)CC1 1587275681 UCVHNNREQDFISF-UHFFFAOYSA-N 406.508 1.364 30 10 HDEE C#CCO[C@H](C)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1587295414 NYMVSQLGXHTIOZ-OAHLLOKOSA-N 413.478 1.947 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034446 GFFQCYAVIOVRQK-RBUKOAKNSA-N 419.526 1.655 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)C(=O)OCC 1588121162 BZRGMJKBRSTHNH-GFCCVEGCSA-N 404.872 1.868 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)OC 1588127653 XUMJTJNIZCEYOD-CYBMUJFWSA-N 400.391 1.687 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1588228753 LLVSYYIHOJBCBF-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCOC1 1588660188 RVGJMAQMPBBIRN-NRFANRHFSA-N 400.479 1.115 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1589060241 PIGGHFPYIFICSU-MRXNPFEDSA-N 416.551 1.091 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)[C@H]1CC 1589560187 XSWNWUOYMHBCMF-NSHGMRRFSA-N 410.522 1.960 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NC[C@]23COCCN2C(=O)COC3)cc1OC 1595390417 ZUFYOFHDRQRKSG-GZNAHNRGSA-N 402.447 1.017 30 10 HDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1595896402 ZVQHWVVJACQOAM-HNNXBMFYSA-N 411.535 1.747 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)NC2CCCCC2)c1 1596006742 IRCZRKUCCUYXDJ-UHFFFAOYSA-N 405.520 1.845 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 1597732709 WSVYQYVDIDIMLS-UHFFFAOYSA-N 411.483 1.477 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 1611251289 KQKGNQHJLOJQRO-AWEZNQCLSA-N 403.460 1.742 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCCO1 1612912009 UUHUSAJXDXYPQU-HNNXBMFYSA-N 418.523 1.371 30 10 HDEE CCn1cccc(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)c1=O 1615731069 FLEMQTILEQYPCW-GOSISDBHSA-N 422.464 1.967 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1617595631 OLSQESOVRKORDL-NRFANRHFSA-N 423.477 1.326 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC(O)(c3nn[nH]n3)CC2)cc1C 1617702852 FNLQEDGIXVSJCR-UHFFFAOYSA-N 420.477 1.718 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccc(C#N)cc1 1618803242 GZNOCGFTNSFSAM-QGZVFWFLSA-N 404.448 1.410 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1620611400 ROFYGRKAVFIYLG-UWJYYQICSA-N 416.547 1.876 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)OC)CC1 1621696565 ZOZGRXBUORPQQL-UHFFFAOYSA-N 415.309 1.565 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)c(C#N)cn1CC 1625717758 BHEUHJBRODGQMX-HZPDHXFCSA-N 403.483 1.619 30 10 HDEE CC(C)(C)OC(=O)COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1627136687 MNGTWFSONISEAK-MGPUTAFESA-N 420.487 1.417 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628506920 BBVBVUWLOKNPNI-IUODEOHRSA-N 422.279 1.139 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1628900531 IPJJSNITIKLLJW-GOSISDBHSA-N 417.506 1.896 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](n2ccnn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1630656671 SFLCDQMETMCZCF-CABCVRRESA-N 416.507 1.349 30 10 HDEE C=CCN(C(=O)c1c(Br)nc2n1CCCC2)[C@H]1CCS(=O)(=O)C1 1630846834 DXCMLBCZKGNWHD-NSHDSACASA-N 402.314 1.797 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc2oc(O)nc2cc1F 1632544751 ZSLUEZYUWXJGOS-UHFFFAOYSA-N 404.379 1.740 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1632791788 HZBHQDXENGMWCV-KBPBESRZSA-N 413.471 1.384 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CCCN(c4ccccc4)C3)C2)c(=O)nc1O 1634927709 OYHYZHSMQITOQS-OAHLLOKOSA-N 408.462 1.303 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1=O 1639037172 RTIXDBZEDVNNJL-OAHLLOKOSA-N 413.482 1.260 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(CC#N)cc2)c1 1639964073 XAIAOXMCLCIORO-UHFFFAOYSA-N 414.487 1.049 30 10 HDEE C=CC1(CC(=O)N2CCN(Cc3ccnn3C)CC2)CN(C(=O)OC(C)(C)C)C1 1640704414 QHSQIZJKBCYUST-UHFFFAOYSA-N 403.527 1.878 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1642544935 MLWUIZVDAUGAFO-RZIFZGNASA-N 411.451 1.375 30 10 HDEE C[C@@H]1CN(CCO)CCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1642573907 FFYHSUSKDGICJP-OAHLLOKOSA-N 413.478 1.548 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 1642607633 PVUCFUBUGHCMPQ-IBGZPJMESA-N 416.528 1.905 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1(CO)CCC1 1644326870 GQDOPYCWYLSJLJ-INIZCTEOSA-N 407.536 1.809 30 10 HDEE N#Cc1ncn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1648125268 AOHQFJNQHQEWRG-KNVOCYPGSA-N 403.233 1.779 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 1653462646 JGIXPKIJUVYNIN-WBVHZDCISA-N 413.430 1.909 30 10 HDEE C#CC[C@]1(C(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1653475018 LXTXZMMAJYVAHB-OAQYLSRUSA-N 416.478 1.915 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)N1CC[C@@H](N(C)C)C1 1663033926 ARUDFZNWCMSXLQ-WBVHZDCISA-N 410.515 1.553 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)nc1 1664056907 HRLHYFCTKWWYAF-UHFFFAOYSA-N 408.524 1.896 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1664602427 HGEZVWHZYIFLML-IYBDPMFKSA-N 404.488 1.812 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)nn1 1668441592 HUGNJOXWTJIXJV-UHFFFAOYSA-N 413.482 1.081 30 10 HDEE C=C(C)COCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1678870286 MAWVQLZOJFRCOB-HNNXBMFYSA-N 419.544 1.303 30 10 HDEE CN(C)CCN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1=O 1680304221 GEAYVFULTJSWKJ-UHFFFAOYSA-N 414.510 1.059 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](n3cccn3)C(F)(F)F)C2=O)cc1 1680779424 XMLQGXUUANXQKC-JKSUJKDBSA-N 420.395 1.958 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3cccc(F)n3)CC2)C1 1686055240 ICUPCZCFXJXKSN-GJZGRUSLSA-N 418.473 1.811 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1689860870 JLPUCJGMPDOHRL-AWEZNQCLSA-N 403.508 1.269 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689993180 XHJAIYBDBZSQSY-QGZVFWFLSA-N 402.520 1.719 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1690072271 ANKYRQVRDLNHRJ-UHFFFAOYSA-N 423.521 1.230 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(O)cc1 1690104362 UQWPFFQHHVESTC-INIZCTEOSA-N 404.492 1.020 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N(C)CC 1690106088 KBCIKOBIVGANBI-UHFFFAOYSA-N 408.506 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCn2cncn2)CC1 1690113600 OHOUEFYFPFSVBL-FQEVSTJZSA-N 404.522 1.867 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690320266 OXCHJBTYNFPIBC-RBUKOAKNSA-N 405.543 1.881 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1692346464 FWBFWYJNGCGBAW-DLBZAZTESA-N 404.515 1.801 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1705581162 YDACBAJNCOMDBP-MRXNPFEDSA-N 413.551 1.261 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705610242 HUVDZYDDAXOBEV-INIZCTEOSA-N 409.469 1.621 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2ccco2)CC1 1705635675 GTARHZUYXXXFTE-UHFFFAOYSA-N 408.462 1.625 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1 1705706470 VJAHDBOEKZDSJK-XERREHJYSA-N 416.526 1.083 30 10 HDEE C=CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCNC(=O)C1 1705811646 HOHGYFFIAYNXQG-UHFFFAOYSA-N 417.539 1.449 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1705844086 VOMSNULMNCSXKF-GJZGRUSLSA-N 415.560 1.294 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC)C2)nnc1[C@]1(OCC)CCOC1 1705909227 QNXUYTNAYIPJIB-JXFKEZNVSA-N 407.515 1.238 30 10 HDEE Cc1nnc(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)s1 1707845796 YEBBVOKJBDEGHB-QGZVFWFLSA-N 401.475 1.913 30 10 HDEE CCN(CCC#N)C(=O)CN1CCCC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1717629404 PYHTUFKJPSQUKI-GJNTUIEKSA-N 400.523 1.096 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1722301803 NQVBQSIGUDZBLE-IBGZPJMESA-N 423.565 1.189 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722324455 SBQSXSTZXFASHP-AVGNSLFASA-N 423.461 1.458 30 10 HDEE C#CCN(c1nnc(C)n1CCCOCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722364218 JYJSCXWONJIWFL-FQEVSTJZSA-N 416.547 1.863 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722365818 PMYJRYFZAKJTRA-UKRRQHHQSA-N 422.580 1.821 30 10 HDEE C#CCN(c1nnc(C)n1CC1(c2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722366465 RVVWKTGSNJUMKB-QGZVFWFLSA-N 414.531 1.954 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1722580652 MDODCSJORACMMU-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722648628 VOCHWFUIKYEQHW-HXUWFJFHSA-N 418.519 1.658 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1CCN(C(=O)OC)CC1 1722681909 VKMRXKQMYPDEPI-QGZVFWFLSA-N 407.515 1.899 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1722690028 CZIILSPEPMNTRN-ILXRZTDVSA-N 412.560 1.205 30 10 HDEE C=CCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722690234 BSFWNVIZGKFNLX-OAQYLSRUSA-N 413.526 1.930 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722738198 CPXOOCSWAWDPOD-CABCVRRESA-N 400.570 1.715 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1722870558 QYFYODMJHZPHJA-BTYIYWSLSA-N 407.478 1.803 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1723967750 ALWJOFOEGHIBKC-BEFAXECRSA-N 407.540 1.471 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1726539941 FZHSKMUXRBZYDB-SMOSDQRPSA-N 421.567 1.861 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1730876668 PAOJFCQPJGIBOU-HZSPNIEDSA-N 401.414 1.155 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C[C@H]1OC 1730988520 DHANCJYIQZNUDK-UEXGIBASSA-N 413.478 1.472 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1740557918 BFSJGNKQKVRXBT-CABCVRRESA-N 414.514 1.985 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740581799 GFTWVBWVUGPSIK-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1740659575 WQNIIKMKRVONOS-UHFFFAOYSA-N 400.446 1.368 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1740671939 SBKPAEOFASEPPW-CQSZACIVSA-N 407.471 1.253 30 10 HDEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740710933 DZTSFBYUPYHIER-MRXNPFEDSA-N 419.938 1.916 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740850674 JDCUVJWPQUFQNO-WBVHZDCISA-N 423.583 1.840 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](COC)C1 1740953381 DNSULHNBWCZIBK-OAHLLOKOSA-N 415.494 1.737 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1741800718 WSGGBMFAUUBNFR-ZDUSSCGKSA-N 420.495 1.351 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1741904067 HRORSAHDCFDPDC-LSDHHAIUSA-N 419.555 1.741 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1746539683 PDNPCRBWDDYOAK-INIZCTEOSA-N 404.496 1.577 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1748719290 WITGTMPVIXLJFE-QGZVFWFLSA-N 405.506 1.987 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748811515 IEMAVHJRWUNZJC-IAGOWNOFSA-N 416.551 1.384 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)COC)CC1 1749009061 FNMQFFGUOBZHAW-AEFFLSMTSA-N 403.527 1.768 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1749029862 YZSXSRNZVVYJIJ-AWEZNQCLSA-N 413.503 1.707 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1749462309 SSSTZDAYRBPIBA-LJQANCHMSA-N 401.540 1.985 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1749670918 WXZUVJFVVCQYQG-UHFFFAOYSA-N 402.543 1.981 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1751572519 FQSYAGFLIJKBTM-SFHVURJKSA-N 410.478 1.421 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1760113386 UHXUTRYXYUKLPL-YESZJQIVSA-N 411.497 1.986 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760138103 REQUTAZNKGOOIP-FGTMMUONSA-N 407.584 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC)C1 1760242537 HBGJGYFVLWPZBK-QGZVFWFLSA-N 411.510 1.353 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccnc(-n2cccn2)c1 1760246705 ZWQCXKCWZPNRPN-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@](C)(O)c2ccccc2)CC1 1760252235 OAFJJISNLROURA-HSZRJFAPSA-N 424.549 1.469 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1760511118 JCXQVCYQWKLNQI-IBGZPJMESA-N 423.565 1.973 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760559110 IZRDWBOJNFERHD-UHFFFAOYSA-N 408.572 1.494 30 10 HDEE CC1(C)CCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1761553279 HWSKSWUZURGOEY-VQTJNVASSA-N 404.490 1.784 30 10 HDEE CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1764290296 XORRFEFVFFNPJM-RDGPPVDQSA-N 418.542 1.605 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1764396950 PFKXFGKMTQPCKF-QGZVFWFLSA-N 423.477 1.611 30 10 HDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)C)no1 1764618037 COBQWYONXCCKLV-UHFFFAOYSA-N 422.493 1.966 30 10 HDEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1764757423 LUYDWTQGYZAVDQ-UHFFFAOYSA-N 422.493 1.576 30 10 HDEE CCc1nnc(N2CCc3c(cccc3OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764847262 GOWLHMIDLPRAIU-QZQOTICOSA-N 422.489 1.938 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1767010838 OIOYEWXDXXCFSP-UHFFFAOYSA-N 409.450 1.092 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(C)C)C1 1767843039 AYEHIHHEKRJRAS-KRWDZBQOSA-N 402.524 1.848 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1770580065 GTPMBWSYJUZDCY-ZOMKSWQUSA-N 414.507 1.145 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCc2ccco2)C1 1770726818 AFEINXIPLKYWRB-KXBFYZLASA-N 402.430 1.871 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1770733320 XVRZQQRZVYBZAQ-INIZCTEOSA-N 416.432 1.943 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)[C@H]1c1cccc(F)c1 1851092183 UOQALKOTRHLWTA-RHSMWYFYSA-N 401.419 1.610 30 10 HDEE Cn1c(=O)ccn(CC2CCN(CC(C)(C)C(=O)Nc3ccc(C#N)cc3)CC2)c1=O 1851212090 HHEPWFPMZHKMIF-UHFFFAOYSA-N 423.517 1.796 30 10 HDEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)[C@H]1CN2CCN1CC2 1851475529 SHXPMIDEEDCOFB-MRXNPFEDSA-N 418.423 1.844 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)cc4nc[nH]c34)CC2)n1 1851869983 SIGPVHBCTSIDTI-UHFFFAOYSA-N 412.251 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)Nc2c(C#N)cnn2CC(F)(F)F)C1 1852174163 XWJGBFHICYAJLY-LLVKDONJSA-N 403.361 1.891 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC[C@H](n3ccc(=O)n(C)c3=O)C2)n1 1853285502 IBKVMYAGUPKRBA-LBPRGKRZSA-N 421.379 1.618 30 10 HDEE Cn1nncc1CN(Cc1ccc(N2CCCC2)nc1)C(=O)c1cnc(C#N)nc1 1853590731 OHFCHEWFONDLFZ-UHFFFAOYSA-N 403.450 1.315 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CCC[C@H]3Cn3ccnn3)C2=O)cc1 1853726636 FSRPQWOFVLLLNQ-PMACEKPBSA-N 406.490 1.765 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CCC[C@H]3Cn3ccnn3)C2=O)cc1 1853726638 FSRPQWOFVLLLNQ-VQTJNVASSA-N 406.490 1.765 30 10 HDEE CN(C)c1cccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1855186642 HLCXRCWXTUEKJM-QGZVFWFLSA-N 401.444 1.786 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CN(c3ncc(F)cn3)C2)C1 1855375300 LLURVINXIBKCNA-MAUKXSAKSA-N 401.486 1.858 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855607269 JGMGPCYTQZJJNR-ROUUACIJSA-N 403.523 1.431 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3C[C@@H](CN(C)CCC#N)CC3=O)ccc2=O)cc1 1855712457 FNUHZAREVLVKIF-GOSISDBHSA-N 407.474 1.434 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1856041078 GNYUSLWWMYJLJU-IBGZPJMESA-N 423.579 1.772 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856671874 MGRJURHEUCDFSE-LSDHHAIUSA-N 403.476 1.673 30 10 HDEE Cc1cc(CCN2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)no1 1856844641 TVKZTGVHBCHWNU-HXUWFJFHSA-N 407.474 1.456 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc3ccccc3cn2)C1)[C@@H]1CCN(C)C1=O 1857263439 GNANGAPLJXECJQ-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)C[C@H]3CCCO3)C2)CC1 1857378450 VTAMIWYORAHZRM-PKOBYXMFSA-N 411.506 1.410 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C1=O 1857483622 VBSKMIJTTSJSAD-YOEHRIQHSA-N 416.547 1.794 30 10 HDEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CCN1C(=O)c2cccnc2C1=O 1866244769 SCKSLJUPBSSPLU-UHFFFAOYSA-N 404.361 1.903 30 10 HDEE CSCC[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866929535 QKOZGKJTVAVNMT-WBVHZDCISA-N 423.560 1.950 30 10 HDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782981 NPSOQPBSPSANFD-MAUKXSAKSA-N 418.563 1.760 30 10 HDEE CNC(=O)COc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870304394 PHKVCTWWYAFVFM-UHFFFAOYSA-N 416.503 1.450 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2cccc(N(C)C)c2)cc1=O 1871004525 KFAKNZYUGPDBCC-UHFFFAOYSA-N 410.518 1.871 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707554 XZOHJDRUBWJWFG-CYBMUJFWSA-N 415.454 1.347 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)c1ccc([N+](=O)[O-])cc1 1873710744 SHOBZBGBIUABDA-UHFFFAOYSA-N 402.432 1.989 30 10 HDEE C#CCOC1CCN(C(=O)Cn2nc(-c3cc(OC)ccc3OC)ccc2=O)CC1 1891757711 RSVMORNIMVBIGQ-UHFFFAOYSA-N 411.458 1.568 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](CCO)NC(=O)OC(C)(C)C 1893341583 GJHBNMWIJZGPRC-CQSZACIVSA-N 401.504 1.849 30 10 HDEE COc1[nH]c(=N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 1901384415 JFBBUOICBAWGGX-UONOGXRCSA-N 405.304 1.889 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985096784 WPKFATSGCIPCHU-UKTARXLSSA-N 410.320 1.811 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1ncc(Br)n1 2010385868 YNOCCWNQRJDEAE-LLVKDONJSA-N 400.277 1.464 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074666611 CXHLNDGAPOANOP-QGZVFWFLSA-N 402.428 1.853 30 10 HDEE CC1(C)OCCO[C@@H]1CNC(=NC[C@@H]1CCCO1)N1CCN(c2ccccn2)CC1 2087917246 HFVWIZUNGWGYTG-RBUKOAKNSA-N 417.554 1.522 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3ccccc3C#N)C2)C1 2182735868 NAWWYTIJJCOUPZ-UHFFFAOYSA-N 411.505 1.966 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)CC1(C#N)CCCCC1 2187584458 QWPDYWPQLHABJL-GJZGRUSLSA-N 401.529 1.750 30 10 HDEE C#C[C@@H](CC(C)C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2234703348 QSDCUZQISXRCJQ-LSDHHAIUSA-N 400.541 1.963 30 10 HDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2247822507 GBCHLZPLIUSFJL-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2247827628 CUMACROBPHWQAE-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247914660 OKWXPRGWXBJZCK-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248444067 VKLVGRRMPMXEMC-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE Cn1nc(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2255840283 KIVMCYCBPMASSN-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE CCc1nc(C(=O)N2CCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2267172074 SLDZXPDFISQBPH-LBPRGKRZSA-N 408.329 1.982 30 10 HDEE CN[C@H](C)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707109 LCOMIYJSWCWEOW-SNVBAGLBSA-N 408.782 1.977 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CNC[C@@H]1C 2282316514 DKYNMAAAIOKQGS-WCQYABFASA-N 400.375 1.490 30 10 HDEE C[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)N1CCCC1 2282331581 PEFVURBPHATYDA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]34COC[C@@H]3C4(F)F)s2)OC1(C)C 2282332731 FZSGLFIJSFGLHP-XPTSAGLGSA-N 407.269 1.360 30 10 HDEE CC1(C)[C@H](CN)C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339216 WZUZYYCRZFLHAS-WCQYABFASA-N 400.375 1.699 30 10 HDEE COC[C@](C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282424761 GSDVTSICNSWQAH-INIZCTEOSA-N 405.347 1.377 30 10 HDEE C[C@H](CN(C)C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282503776 FXDMDDGEFBAPQM-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC2CC(O)C2)OC1(C)C 2282504180 LCWQUBYVCHZISD-UHFFFAOYSA-N 401.359 1.628 30 10 HDEE CSC1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282507619 KBTCXZUSXADALH-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@](C)(CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838522 POMSDNHIUOYBOO-KRWDZBQOSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@]3(C)CO)c(Cl)c2)OC1(C)C 2282842002 RGNNOJLDPQZXIO-QGZVFWFLSA-N 401.721 1.785 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CN(C)C 2282843273 KZSZIZZTTUBIPG-GFCCVEGCSA-N 403.379 1.059 30 10 HDEE C[C@H](CC(N)=O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843498 OLIRQZGNIDDHAN-LLVKDONJSA-N 402.347 1.073 30 10 HDEE COCC(COC)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850647 RHHLYXBHSABLTI-UHFFFAOYSA-N 405.347 1.329 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC1CCSCC1 2282853939 LGNWIUUHDQUANQ-UHFFFAOYSA-N 401.363 1.141 30 10 HDEE COC[C@](C)(CCO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860401 ZPCDYKPBMLSZRY-INIZCTEOSA-N 405.347 1.113 30 10 HDEE COC(=O)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282872511 XSRNPPNVBBLQLV-UHFFFAOYSA-N 403.331 1.506 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2COCCC2(F)F)OC1(C)C 2282874243 XTAWRMWBIFFLIU-GFCCVEGCSA-N 409.285 1.750 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401992 FRCRMRROKVVMKL-GXFFZTMASA-N 403.331 1.825 30 10 HDEE C[C@@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406760 CBBRYIUZMMLEBX-UWVGGRQHSA-N 419.355 1.584 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284412076 RYTAKDPMGOAGHC-JTQLQIEISA-N 421.371 1.450 30 10 HDEE O=C(O)c1ccccc1C=NNc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl 2322614429 AYTKVCUREBNQMF-LLVKDONJSA-N 410.839 1.401 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)C=Cc2ccccc2Br)cc1 2325713579 SDUDAHKIFSKPEV-UHFFFAOYSA-N 423.288 1.995 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211767 NIOOWNMXOPDOSH-YGTYGHESSA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367786170 HPDBHJKRYIMIAI-HZPDHXFCSA-N 401.525 1.495 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367791954 ZFZHTXTXIYSRRB-HUUCEWRRSA-N 402.557 1.863 30 10 HDEE CO[C@@H]1C[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367804801 WUSSSWLFMMQRLR-ARFHVFGLSA-N 400.541 1.556 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)CCN(C)C(=O)OC(C)(C)C 2367818574 VULYKERQLGXZIE-CVEARBPZSA-N 402.557 1.553 30 10 HDEE Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@H]3O[C@@H]23)cc1 32107106 XYCCQYKKDXVBFO-OUUBHVDSSA-N 406.456 1.770 30 10 HDEE Cc1ccc2c(c1)N(Cc1cccc(C#N)c1)N=C(C(=O)N1CCOCC1)S2(=O)=O 65183367 KTGUYKRBZOFIMO-UHFFFAOYSA-N 424.482 1.833 30 10 HDEE C[C@@H](C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1)n1cnc(C#N)n1 409634048 YSLFTVHLOWRJCL-AWEZNQCLSA-N 402.480 1.202 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)c3cc(C#N)cn3C)c2)CC1 433710955 CMFAADJPMZWRCC-UHFFFAOYSA-N 401.492 1.475 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460553245 XEYWSIRVQNVDLR-UHFFFAOYSA-N 408.514 1.437 30 10 HDEE N#CC1(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCN(Cc2ccccc2)CC1 461491014 MXSRPRYNWSVLLD-UHFFFAOYSA-N 420.469 1.820 30 10 HDEE N#CC1(NC(=O)CN2C(=O)c3ccccc3C2=O)CCN(Cc2ccccc2)CC1 479288660 XQHYITXRJTZBKL-UHFFFAOYSA-N 402.454 1.957 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccccc2OCCN2CCOCC2)cc1C#N 489246335 BHAGMRKEUCMPMW-UHFFFAOYSA-N 416.503 1.451 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)cc2)C1 498552330 UDZXXGQYXSNHHU-KRWDZBQOSA-N 402.476 1.880 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(F)cc3nn[nH]c23)CC1 500021487 WCUJDBARAHIPGS-UHFFFAOYSA-N 414.422 1.115 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)n1cnc(C#N)n1 500818018 VAKKMMWFCAAERK-LBPRGKRZSA-N 421.274 1.957 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506206464 CWVPBIPFHUMKKX-OPAMFIHVSA-N 420.554 1.840 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 508911572 BGHCMNFSOZCJDM-GOSISDBHSA-N 421.542 1.700 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 508998130 CKOZURSLIOBDGT-HNNXBMFYSA-N 407.544 1.496 30 10 HDEE CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 526112496 PEJPDDDVZZZKJX-INIZCTEOSA-N 407.492 1.728 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)N(C)CCCc1[nH]nc(N)c1C#N)CC2 540452444 MKCWNNJHJDPMLS-UHFFFAOYSA-N 412.494 1.330 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)ccc1Cl 541864281 ZXZRUJYYNZKXDF-UHFFFAOYSA-N 415.902 1.229 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 544746026 LUMLBUKXXOPBFP-UHFFFAOYSA-N 412.600 1.816 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1(c2cc(F)cc(C#N)c2)CC1 552358770 UMZKPDVLAHQCRU-QBPKDAKJSA-N 400.406 1.681 30 10 HDEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CCC1 576984423 JCEBAHDRMMVZKX-CQSZACIVSA-N 412.309 1.946 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCCO2)CC1 577233946 IVAVLYFFKOHALC-QGZVFWFLSA-N 404.559 1.569 30 10 HDEE CS(=O)(=O)N1CCN(CCNC(=O)N[C@H](CCCC#N)c2ccccc2)CC1 590067628 BDNCHDKXGPENTH-GOSISDBHSA-N 407.540 1.298 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccncc2)c1=O 603800047 QLLQEZADERZYNY-UHFFFAOYSA-N 402.479 1.384 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609518064 SCBKQXQOCIEHTP-KRWDZBQOSA-N 407.430 1.212 30 10 HDEE N#Cc1ccc(C(=O)NC[C@@H](Cc2ccccc2)NC(=O)c2ccc(C#N)nc2)cn1 609660671 GFFDDDGXUDOMMP-OAQYLSRUSA-N 410.437 1.991 30 10 HDEE C#CCN(C(=O)CCc1ncc(-c2ccc(OC)cc2)o1)[C@@H]1CCS(=O)(=O)C1 729334922 DKMKMHOXDBBQTA-MRXNPFEDSA-N 402.472 1.932 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C#N)nc2)cc1 734601652 JBIVEGMVPQRSPN-CYBMUJFWSA-N 416.459 1.824 30 10 HDEE N#C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CCN1C1CC1 736484409 IQUXGJJWYAALRE-OAHLLOKOSA-N 415.437 1.764 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)NCCNc3ccc(C#N)cn3)CC2)cc1 742939474 HBHPNRQKEJVNFW-UHFFFAOYSA-N 423.521 1.495 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c1 750420327 BSFVEHRLIUWQQL-HLLBOEOZSA-N 422.532 1.230 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 752150374 TWLPEDWJYGUAMO-SFHVURJKSA-N 422.510 1.818 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C 755540449 DCUVNJIHBTVUFQ-RDTXWAMCSA-N 419.503 1.226 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)C1CCC(=O)CC1 774026272 YIIQSMUMSHCJMX-UHFFFAOYSA-N 411.414 1.669 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC)[C@H]1CCS(=O)(=O)C1 774046869 ODRRIHSLRRIENL-HNNXBMFYSA-N 407.492 1.441 30 10 HDEE C#CCN(C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)[C@@H]1CCS(=O)(=O)C1 774058485 NNIQGSYRUILZGC-OAHLLOKOSA-N 418.475 1.319 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 774171546 QGSJZFNFQRPPCO-CRAIPNDOSA-N 405.520 1.547 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 774194065 BNVIJRKGDBZSQK-UXHICEINSA-N 403.548 1.731 30 10 HDEE C[C@@H](NC(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCCCC1 780178669 ZYIKKMOYIVLDMB-VLIAUNLRSA-N 409.483 1.308 30 10 HDEE Cn1nnnc1-c1cccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 781453170 VCLGQVRCLLTUCI-UHFFFAOYSA-N 408.443 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OCC(=O)NCc2cccc(C#N)c2)C1 782415020 MBUPKHZSDJBCBI-UHFFFAOYSA-N 417.462 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCCNc3ncccc3C#N)c2C1 783580154 RPVJCCPNEGPYPH-UHFFFAOYSA-N 411.466 1.811 30 10 HDEE CCOC(=O)C1=C(C(=O)C(C)C)[C@H](c2c(Br)cnn2C)NC(=S)N1 783809424 TXBUUBDPKGMGSQ-SNVBAGLBSA-N 415.313 1.744 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)n1 788817873 FELJHZATBKXUQM-UHFFFAOYSA-N 400.391 1.500 30 10 HDEE COc1ccc(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1C#N 792257452 UVBQMNWLGHLNJC-SFHVURJKSA-N 409.364 1.815 30 10 HDEE CCOC(=O)N1CCC([C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804161149 BHNFUMYATYIEBG-CYBMUJFWSA-N 404.442 1.687 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1c(F)cccc1N1CCCC1 806779640 AQWKHPKNDJYGRM-HNENSFHCSA-N 401.442 1.752 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 812090707 PZGNSKQVPRRMKE-QGZVFWFLSA-N 417.510 1.696 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 812748987 YXYMBZPPFBUJNM-INIZCTEOSA-N 406.435 1.612 30 10 HDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)CC2(C#N)CC2)c1F 816019637 SFLCVSYVSHKWJU-UHFFFAOYSA-N 419.228 1.874 30 10 HDEE Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@H]3CCN(O)C3=O)nc2n1 820180467 YWDGWXBCCHMSNC-HNNXBMFYSA-N 412.475 1.753 30 10 HDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 821701022 XAWLGEPPQDOTBM-QFIPXVFZSA-N 401.426 1.962 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 849549337 TWOQJTMMIPUIFJ-YADHBBJMSA-N 421.545 1.995 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 856551528 UBQICWUFAYMFPC-IBGZPJMESA-N 409.556 1.855 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cn(CCO)nc2C2CCOCC2)CCN1Cc1ccccc1 856641920 UMMCVVBONKOCRM-HXUWFJFHSA-N 423.517 1.620 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914595292 YBQLDVUAGWURNX-RDJZCZTQSA-N 422.503 1.540 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 916774685 BUSOWQJOBQZLAS-IYBDPMFKSA-N 403.460 1.070 30 10 HDEE N#C[C@@H]1COCCN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1126072589 MKDOMBPLZLKBJD-CQSZACIVSA-N 405.252 1.271 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1128906050 SLDJWWFLLPHPCL-PBHICJAKSA-N 406.508 1.216 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)COC1 1138107896 FRQLJADRVASIPN-UONOGXRCSA-N 404.471 1.194 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@@H]2CCCN(O)C2=O)C1 1141463775 SQBYLKAGTADDID-YRNRMSPPSA-N 405.451 1.299 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(O)nc(C3CCC3)n2)s1 1149789242 JXINJBNVSDWLOD-UHFFFAOYSA-N 422.532 1.834 30 10 HDEE CC(=O)N[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1cccc(Br)c1 1150000144 IBLYVCDRAUBLOB-INIZCTEOSA-N 407.268 1.211 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)C[C@@H](C)O1 1152067858 HUWBVEVWBGBGMU-IAGOWNOFSA-N 420.535 1.156 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1 1154866242 IGHRBRSZMGIHQT-UHFFFAOYSA-N 418.471 1.965 30 10 HDEE C=CCC1(O)CCN(C(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)CC1 1155857199 FASAVOJTICITPX-UHFFFAOYSA-N 411.524 1.812 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 1155873460 NPWIBYFBEYDGCT-UHFFFAOYSA-N 407.536 1.553 30 10 HDEE C[C@H]1[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1163878548 MZPDHEOBFNUDJP-MYZSUADSSA-N 403.483 1.544 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2NC(=O)C[C@@]23CCCC[C@H]3C)s1 1166643704 LOBUBCYKNLLEOK-FZKQIMNGSA-N 411.549 1.967 30 10 HDEE N#Cc1ccc(NC(=O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1176832902 LXMRPUMZVGEXNR-GDBMZVCRSA-N 401.410 1.938 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1179462082 XJJGIIZMVJFOBA-XJKSGUPXSA-N 412.471 1.436 30 10 HDEE CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@H]1N(C)C 1188327599 FTGIZHYSSREGLM-KGLIPLIRSA-N 404.355 1.987 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1OCCOCC 1192318396 JLVCSJSRRSQUSW-ZDUSSCGKSA-N 406.298 1.527 30 10 HDEE CNS(=O)(=O)c1cccc([C@H](C)NCC#CCN2C(=O)c3ccccc3C2=O)c1 1192547795 VKHYXGQKYRIGOW-HNNXBMFYSA-N 411.483 1.545 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1 1194389806 BOURNGUKGDZFDP-UHFFFAOYSA-N 402.904 1.685 30 10 HDEE C=CCN1CC[C@@H](N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)C1=O 1197760893 XWZCWTPKCGNQSN-DXEZIKHYSA-N 407.511 1.552 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)C1 1255363522 KVMHNOWPIOINAU-ZWKOTPCHSA-N 408.543 1.487 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 1255366138 ZZHIGSIAGKLWCH-UONOGXRCSA-N 406.284 1.104 30 10 HDEE N#CC1(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCSCC1 1270066002 XSBOYMAZGFZGPX-UHFFFAOYSA-N 405.904 1.911 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1286272494 ATXTVNSDKSHJJS-OPAMFIHVSA-N 411.506 1.924 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1286299072 SDNMURWFCYOSIU-UKRRQHHQSA-N 406.483 1.834 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286312648 XRDDOSKTEDTFSU-SFHVURJKSA-N 411.510 1.420 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1286357778 AKWYGCLZHUBOQN-UHFFFAOYSA-N 424.549 1.491 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1286360434 GSYYQIMATILOLD-CYBMUJFWSA-N 408.553 1.513 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC(C)(C)C 1286424083 YEBNEBSEYMYHDX-QFIPXVFZSA-N 415.538 1.698 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCOC1 1286456396 QPIOEKATZVBSFK-NRFANRHFSA-N 410.453 1.609 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)CC1 1286477265 USGHAYQAHRRKIM-SFHVURJKSA-N 424.578 1.798 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nccs2)CC1 1286485085 UPMXNZMNWZELRE-UHFFFAOYSA-N 424.578 1.984 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1286496373 RIVFFWLPNSSUJP-CQSZACIVSA-N 415.585 1.118 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1286507787 CFRDAGAIQSDZBF-CRAIPNDOSA-N 411.487 1.886 30 10 HDEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286713563 CADWGLKREGQRPU-YRNRMSPPSA-N 422.482 1.637 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1286721956 MUTPJOKENJTFPA-UHFFFAOYSA-N 414.539 1.951 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1286773142 IGTZXGWUNQTDKH-KRWDZBQOSA-N 420.535 1.767 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286786920 LWSVDHWAZCHYDX-UHFFFAOYSA-N 419.489 1.686 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286815539 ARVXUTPCPGFJAN-CALCHBBNSA-N 420.491 1.116 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cc2c1OCCO2 1293033415 YCIGSBWEOMWUHE-VKAVYKQESA-N 422.235 1.477 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1293138430 VRGZFQPPHUJNAY-HNNXBMFYSA-N 412.309 1.203 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1300267134 FITBDLCNQJIQJM-AWEZNQCLSA-N 418.523 1.597 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)C 1300303240 HTXHXOHOPSJWHH-AWEZNQCLSA-N 407.478 1.824 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1300382474 VQUGHTOROKWXPL-QGZVFWFLSA-N 400.527 1.669 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C1CC1)N(C)C 1300554408 CHHRYGNFSJZHII-GOSISDBHSA-N 405.506 1.729 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(=C)C 1300578543 LVRXOJMWTMHPOH-OTWHNJEPSA-N 416.547 1.624 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1300583000 AMGKRLYUNQCICX-UHFFFAOYSA-N 419.938 1.534 30 10 HDEE C=C(C)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1300970648 ZKKKYXGSHYFEHU-LEWJYISDSA-N 416.526 1.992 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1300981127 ZDSHOUSWXZMNDI-SFHVURJKSA-N 410.478 1.361 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)c2C1 1301183143 UHTVQPQBQORZEK-INIZCTEOSA-N 406.490 1.868 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1301480875 FSCYORXVDBZGNW-YESZJQIVSA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1301491339 QBCYSAYQORSHHI-CVEARBPZSA-N 401.515 1.621 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CCN1CCOCC1 1301492056 WIUNKAFULOHOAT-UHFFFAOYSA-N 402.474 1.155 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(C3CC3)C2)C1 1301536434 WFFWDQRKPDRHAU-WMZOPIPTSA-N 402.543 1.682 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596724 XGGFMTZEEPDWCJ-LPHOPBHVSA-N 412.556 1.766 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301611369 BQILTBSVYPORFL-QZTJIDSGSA-N 407.584 1.860 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1304750306 BVBAAXYKYOSISG-UTKZUKDTSA-N 413.526 1.810 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CC(O)(CC#N)C1 1307709620 GFMYECFMYREEOG-UHFFFAOYSA-N 409.284 1.115 30 10 HDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2Cc3cccc(C#N)c3C2)C1=O 1307893173 OOUSZMRHRBIDPE-QHCPKHFHSA-N 417.469 1.848 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CCOCC1 1308091068 YXRDZPLWYVZXRX-UHFFFAOYSA-N 409.508 1.046 30 10 HDEE C#CC1(O)CN(CC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)C1 1308136566 MTWWNSBACXWAIP-UHFFFAOYSA-N 400.482 1.895 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCC3(N4CCOCC4)CCOCC3)CCO2)cc1 1312839026 YPLBDUDFVGUKBL-FQEVSTJZSA-N 414.506 1.523 30 10 HDEE C#C[C@H](NC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1)C1CCOCC1 1313042660 HYVNRJMRYHZADD-FQEVSTJZSA-N 404.555 1.391 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1315964209 PMSDRZIDGCZOIJ-FCHUYYIVSA-N 424.505 1.463 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSCCCO)CCO1 1316540264 JBONPVQPUAKNLX-KRWDZBQOSA-N 421.498 1.841 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1353619862 OTNZECPBNWAVII-GOSISDBHSA-N 408.524 1.032 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 1358456559 LQVSHFMZGZBDNS-UHFFFAOYSA-N 419.894 1.804 30 10 HDEE C#CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1358916906 AIANNMGPUPHLCS-PXNSSMCTSA-N 424.567 1.746 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1359057789 IUEKIAZKMRRLJJ-UHFFFAOYSA-N 405.553 1.914 30 10 HDEE CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359666864 DMQXMYCFKFEXSP-HLIPFELVSA-N 406.506 1.928 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)cn1 1435239603 CXSJBXIVIMENSX-OAHLLOKOSA-N 418.251 1.355 30 10 HDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 1441801548 URRFPBZTIBDSCR-MRXNPFEDSA-N 418.581 1.174 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c23)cc1 1452038161 ADXMGAXKZYGBQO-UHFFFAOYSA-N 401.448 1.287 30 10 HDEE C[C@H](CC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1452473831 GCKWZKLGKFCVHU-CHWSQXEVSA-N 409.508 1.598 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(Nc2ccccc2C#N)CC1 1454238330 CPTPKTRWXCWBQW-UHFFFAOYSA-N 408.524 1.306 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1463688949 BJGVAYCNUSRWBW-ZDUSSCGKSA-N 417.325 1.964 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1463953246 RXPRQBWGOXFFHQ-UHFFFAOYSA-N 400.884 1.682 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OCC 1464387846 YVEPMBQXAVHICO-OAHLLOKOSA-N 422.500 1.764 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc(C)cc2)s1 1465184654 MRYKAXUEBJQDSI-UHFFFAOYSA-N 421.544 1.610 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)c1cc[nH]n1 1469519309 KLDRXLKLOKTWSX-ZDUSSCGKSA-N 410.471 1.424 30 10 HDEE COC(=O)N(C)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1470818217 SRAPCHKOBBVFBX-UHFFFAOYSA-N 417.445 1.395 30 10 HDEE C=CCOCCCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1470825813 OZAOTOPKRITRAE-MRXNPFEDSA-N 412.531 1.642 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCOC)C1 1471336643 LQMZEILXDBSITB-MSOLQXFVSA-N 408.543 1.751 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)CC2=O)cc1Cl 1471723086 LZIGRXUUWFRLSC-RBSFLKMASA-N 421.906 1.458 30 10 HDEE C#CCN1CCC(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1471938769 VFTFOUOZIRHHRB-IBGZPJMESA-N 415.490 1.448 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc1 1478686136 QIWLYUMGYPINFJ-MUUNZHRXSA-N 406.504 1.684 30 10 HDEE CNC(=O)[C@H](CNC(=O)NCC#C[C@@H]1CCCCO1)Cc1ccc(OC)c(F)c1 1478874936 HADCXXQHYDKBFX-IRXDYDNUSA-N 405.470 1.611 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1479008837 XHLNGLPAMLPMKC-CYBMUJFWSA-N 407.471 1.435 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CCCO1 1494252216 GNLLEWKGDWHXRV-HNNXBMFYSA-N 417.473 1.974 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1503203791 HJTYYNMKLLOWJX-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1503476100 FHYNEFVGENAJQG-KRWDZBQOSA-N 423.521 1.900 30 10 HDEE COC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504701472 XGKSYZBJOQIUCQ-MEUCICPISA-N 414.510 1.935 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1507564480 QCWLJNTZVFPOLO-QGZVFWFLSA-N 406.552 1.991 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507623798 XGNKNBINQFKQCF-VPRUJKLYSA-N 424.567 1.348 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnnn1C 1507666372 BAVZCODWLCJAPG-UHFFFAOYSA-N 413.445 1.234 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCSC2(C)C)CC1 1507728244 WFTKUCOQCDSTNA-QGZVFWFLSA-N 416.595 1.687 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507756835 ZENRHRGOFDAJFG-KRWDZBQOSA-N 403.552 1.425 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507957782 VJBUPQLACHFQGR-INIZCTEOSA-N 420.514 1.384 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1508093745 JNNFGCFYJVAZTE-JIYIMXKPSA-N 403.527 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC 1508140422 NSXHYIDEYIYHFH-UHFFFAOYSA-N 416.507 1.249 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](COC)C1 1508143988 MAJXHUQIASTUQP-KRWDZBQOSA-N 405.524 1.337 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccsc1 1510188003 BWNXKKIWRUUXQT-BLLLJJGKSA-N 412.516 1.634 30 10 HDEE COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518765286 MQSPUAQRPXWHKQ-FUHWJXTLSA-N 416.505 1.301 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1519532507 VJAPUDQTDYCSHC-ROUUACIJSA-N 415.519 1.867 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@H](C)[C@H]2C)C1=O 1526435880 RNAKIIVGLPJLOV-MGPQQGTHSA-N 422.482 1.208 30 10 HDEE C[C@H](C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)n1cnc(C#N)n1 1533292154 KEGIMWTUTCWSFN-CQSZACIVSA-N 404.430 1.558 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 1535222021 GLOAPLHDSYGAKZ-HZPDHXFCSA-N 410.515 1.669 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1535384026 YELFKNJNQWOCBG-MOPGFXCFSA-N 416.540 1.652 30 10 HDEE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537829903 KKTOFTXKUWWTQJ-DOTOQJQBSA-N 423.491 1.109 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN(C)C(C)C 1539250279 KPAJZSPQEBJREH-UHFFFAOYSA-N 417.521 1.724 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1539377205 MRXIDKZGKNRHSL-UHFFFAOYSA-N 404.478 1.489 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(CC)(CC)OC)CC1 1539428319 QKWWWNMVDSISNG-UHFFFAOYSA-N 402.543 1.475 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539580641 ZFQJUPJBCAYKBC-STQMWFEESA-N 416.320 1.578 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1539945584 QXBOWDABAXDCGX-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1540058268 CGMNGFYRJTVNIY-UHFFFAOYSA-N 411.466 1.738 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2)C1CC1 1540095870 YGABYIDZTDKIBH-LSDHHAIUSA-N 409.556 1.860 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1540876550 VCROEVGJTVMSGO-ZFCANOHDSA-N 405.499 1.205 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)Cc1cnn(C)c1 1540900657 CZSBVTLCQOYRPY-UHFFFAOYSA-N 417.539 1.644 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1CC1 1541675729 VPRIIYCZBFHJRP-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1542234778 APWZAUAFHXVZDJ-HNNXBMFYSA-N 417.466 1.058 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1 1543315385 XNKOTFZTCXJPIT-QGZVFWFLSA-N 402.495 1.568 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1555198602 KXZPHJCVMJSDNO-SFHVURJKSA-N 424.505 1.538 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CCCOCC1 1556023002 QFWZYVWAYHVWSH-VXPUYCOJSA-N 423.477 1.017 30 10 HDEE CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H]1N1CCCC1 1556104222 MZKGMANNMDWIIZ-IRXDYDNUSA-N 411.524 1.775 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1556737743 MYCDNHSVUOBXQC-QWHCGFSZSA-N 409.936 1.515 30 10 HDEE CNC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(F)cc1C 1557187705 VQLXVEQXCHZSNM-APFMSCDFSA-N 416.453 1.072 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1557917794 QFDGHFOISYUJSV-FQEVSTJZSA-N 414.487 1.735 30 10 HDEE O=C(CN1CCS(=O)(=O)[C@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1559836487 SXIJFEOZKBSBOE-IRXDYDNUSA-N 414.449 1.825 30 10 HDEE C=C(C)COc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1562325105 PAYJFWLKOFFZBB-CZDRUDQFSA-N 421.519 1.974 30 10 HDEE C#CCN(C)CCCNC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1563794525 UVCCTAQLQJZVSH-UHFFFAOYSA-N 420.579 1.703 30 10 HDEE C[C@@]1(CO)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@]1(C)CO 1565004909 FWYHNQSCBKVPJE-SZPZYZBQSA-N 400.523 1.545 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 1565156684 NWZQWXRBLFLAOV-ZWKOTPCHSA-N 407.898 1.920 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)Cn2ccc(Br)cc2=O)c1N 1568797280 CFOPRBCUDHZQGK-UHFFFAOYSA-N 413.235 1.889 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](O)(c2ccccc2)C1 1584656199 DZBSCHXTFHJSIS-KKSFZXQISA-N 413.499 1.735 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1585295791 MOCWQEDTRYOFMP-AFNCTOJWSA-N 417.466 1.140 30 10 HDEE COC[C@@]1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1587446017 JKOZTYJRFOOTPP-OXQOHEQNSA-N 400.435 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCCS1(=O)=O 1587957527 GRRKHXHSFOKCEY-OAHLLOKOSA-N 402.476 1.711 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(OC)CCOC1 1589259311 LAQCMYBCRYIZMX-ZCLUNYJNSA-N 404.511 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCNC(=O)C(C)C 1589530912 ZFEUCHFIOHTFPJ-KURKYZTESA-N 405.543 1.972 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1593865487 GYCFOMYMGDIQMA-UHFFFAOYSA-N 402.890 1.872 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595759893 HGQIKBJPYWFXHD-INIZCTEOSA-N 411.572 1.695 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595822712 JEUNTUJXCBUYNB-JKSUJKDBSA-N 424.523 1.726 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 1596609707 DTYLJVFINDOSNG-MRXNPFEDSA-N 409.577 1.671 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccccc4OC)n3)CO[C@H]12 1616132271 MBERMFJXRXLJMZ-PSBWJHGTSA-N 411.462 1.584 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1617782775 ZIGQBKCXMLXNJU-INIZCTEOSA-N 409.450 1.316 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC[C@@H]1C 1619515173 DICARAAHEDLUSR-YJBOKZPZSA-N 407.482 1.755 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)C1CC1 1620111591 ZODQMSXIJMUQKB-ATLSCFEFSA-N 404.515 1.214 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1622264564 CHRMIKVARQHJSA-YOEHRIQHSA-N 400.522 1.341 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)CC1 1622584384 JQMTZTDDADGTGD-UHFFFAOYSA-N 415.313 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623850337 USRUFPFZPUWVQI-OAQYLSRUSA-N 415.494 1.364 30 10 HDEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccccc1 1624417268 MPGVUSGGAOIBDO-ZIFCJYIRSA-N 407.536 1.454 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCSC[C@@H]3c3nn[nH]n3)CC2=O)cc1Cl 1625611328 GJQKJAKZYSCEHK-BXUZGUMPSA-N 417.882 1.394 30 10 HDEE C=CC[S@](=O)(=NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1627430039 KTCJESXVJMTFBP-AREMUKBSSA-N 403.485 1.965 30 10 HDEE CCN(CC)c1ccc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c(=O)oc2c1 1628386311 TTXCTFNBOQFKTR-VZCXRCSSSA-N 424.457 1.895 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1628787003 MWJNBXAIYSBAKJ-WBVHZDCISA-N 401.467 1.284 30 10 HDEE COc1ccc2c(O)nn(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)c2c1 1628910750 SFCIVTXSJIFLNL-UHFFFAOYSA-N 400.416 1.549 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(N)=O)cc2)s1 1629618010 HSEJXOWGHGACBH-UHFFFAOYSA-N 409.489 1.258 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 1632947860 PUQLSOMTHVXGBV-RBUKOAKNSA-N 400.523 1.675 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)cc1 1634039720 LEIIZLPJOVMHPY-CQSZACIVSA-N 403.464 1.608 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(OCC2CCCC2)CC1)c1cc[nH]n1 1635157720 YWIZYYVLJCUYRS-UHFFFAOYSA-N 406.483 1.891 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@](C)(CC(C)C)C(=O)OCC)c1 1635524103 SGMRMBDXZGZFKH-FQEVSTJZSA-N 408.520 1.943 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCc3nc4c(s3)COCC4)CC2)o1 1636190087 CCZRPYNGGUWJGE-UHFFFAOYSA-N 401.492 1.959 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1cccc(Cl)c1 1637311285 FPVODLVNUWRMAJ-AWEZNQCLSA-N 407.879 1.098 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 1638250873 UNRSVJHLRSOCFU-AWEZNQCLSA-N 407.471 1.698 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1639752440 MIELTWFXTAAUDT-YCRPNKLZSA-N 410.470 1.939 30 10 HDEE CN1/C(=C/C(=O)Cn2nnc(C(C)(C)S(C)(=O)=O)n2)C(C)(C)c2ccccc21 1641465322 YEWLTTUJTBZHEK-LFIBNONCSA-N 403.508 1.833 30 10 HDEE C#C[C@H](NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)C1CCOCC1 1641858733 YOPBXSBEFKOKRC-KRWDZBQOSA-N 416.865 1.981 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NOc2cccc(C#N)c2)C1 1643517772 GOFBDZVDAXBFDV-HNNXBMFYSA-N 403.464 1.409 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc2c(=O)[nH]ccn12 1645342929 RBSPXEHNCIIAHY-STQMWFEESA-N 404.471 1.844 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CCO2)cc1 1647999076 YHBVRJRAEUVFTD-SFHVURJKSA-N 403.435 1.576 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccccc3-c3ccccc3)C2)c(=O)nc1O 1648028467 CCGFZLCHGPHFGL-UHFFFAOYSA-N 402.410 1.950 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3sc(N4CCCC4)nc3Cl)C2)c(=O)nc1O 1648787072 HDSHUYXHIKLGNS-UHFFFAOYSA-N 406.855 1.228 30 10 HDEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(CC)CC)ccc3n2C)C1 1651092319 MHDTWQUTUBANGG-UHFFFAOYSA-N 420.510 1.720 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N=[S@](C)(=O)c2ccccc2F)c1 1653698055 ODAGUXXKUPTITJ-AREMUKBSSA-N 409.464 1.737 30 10 HDEE Cn1cc([C@@H]2CN(S(=O)(=O)CC(C)(C)C#N)C[C@H]2NC(=O)OC(C)(C)C)cn1 1655752090 GMQWXEAKKFELNN-LSDHHAIUSA-N 411.528 1.592 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OC 1656973380 CDSYVMVXXJECMY-AWEZNQCLSA-N 404.510 1.079 30 10 HDEE C#CCN(C(=O)Nc1cccc(-c2nnnn2C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1663654511 AEUYFZSXYUKTGE-MRXNPFEDSA-N 402.480 1.575 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 1665733970 IGYKFOLPTJNHLG-UHFFFAOYSA-N 404.410 1.518 30 10 HDEE C#CCOc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c1 1667083304 XZGXSTFHAYHYJJ-FXUPRZHBSA-N 420.487 1.719 30 10 HDEE Cc1csc([C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C(F)(F)F)n1 1671916909 CKNRXKDZHGYMKN-SECBINFHSA-N 402.358 1.188 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3ccccc3Br)C2)c(=O)nc1O 1672422678 YSFUQUVAWOPTQC-UHFFFAOYSA-N 418.251 1.392 30 10 HDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC#CCN(C)C)CC1 1676930823 WIYQYSJZPBOZTO-GOSISDBHSA-N 406.914 1.446 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)nn1 1682166909 DSYJGKNFDDOALP-UHFFFAOYSA-N 414.466 1.149 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCCN2CC(F)(F)F)n1 1683953665 IXGFBOOMZXXFLF-INIZCTEOSA-N 401.433 1.701 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC(=O)c4ccccc4O3)CC2)c1C#N 1684624801 WQNNDGCDRDAEBZ-OAHLLOKOSA-N 408.462 1.466 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689991924 DSLYUARIFUZZMS-MOPGFXCFSA-N 421.611 1.835 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CCOCC2)CC1 1690113346 HHFQUKKLPRIPBT-OAQYLSRUSA-N 403.527 1.112 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1690119722 PTHGKLYNVWKXBF-QFIPXVFZSA-N 408.506 1.187 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2OC)CC1 1690122198 JZHDAPLOBUQGIC-SFHVURJKSA-N 424.505 1.050 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NC(C)C)CC1 1690133416 GHXUZOSUUGGIBY-UHFFFAOYSA-N 424.549 1.699 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC(N)=O 1690251530 WGTZNDDZCKRISL-DOXZYTNZSA-N 404.515 1.082 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690484917 HCPBKMZDPKFZMV-RRFJBIMHSA-N 418.585 1.404 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1690677297 UACYBLGKKLAHTG-VQTJNVASSA-N 402.499 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(=C)CC1 1690723222 LIMUKDASNDGIPB-UHFFFAOYSA-N 419.507 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCOC[C@H]1C 1690725319 MGHRLFWBIXPFBU-OAHLLOKOSA-N 408.499 1.834 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O 1691015756 FXDFALDRMHZWAC-ZIAGYGMSSA-N 405.524 1.845 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(F)CCC1 1692782259 JLTRGZNOZMSMNB-BLLLJJGKSA-N 402.471 1.613 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1693707132 HMSQPYWMWAIZKF-GJZGRUSLSA-N 402.524 1.848 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695866844 AYXFOFYCHHLLMA-UZLBHIALSA-N 415.521 1.147 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1697044695 GMDFAGNYNJSINU-KRWDZBQOSA-N 415.519 1.932 30 10 HDEE CO[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1697669581 JIMGRTMYECNJQW-DUPDJQDOSA-N 402.499 1.789 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1705574645 JHSSSSVDTDCNGG-BJKOFHAPSA-N 420.513 1.837 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2C2CC2)CC1 1705632424 PPYRPEBOYCVUIE-IBGZPJMESA-N 413.570 1.188 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1705863518 WAMPSORNIXCSIL-UHFFFAOYSA-N 407.482 1.165 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1705884869 ZMNARGKDVDVFFP-CVEARBPZSA-N 414.597 1.962 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)cs1 1707755464 OXKGLLYEJCUXDT-INIZCTEOSA-N 412.516 1.511 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708081681 FOYBHVBZHYOKMO-NFSBEEMKSA-N 400.483 1.892 30 10 HDEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709848581 DSHUKUISOIZZBH-HNNXBMFYSA-N 423.525 1.134 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cc1 1711732009 CZFWELAACJXFEV-HUUCEWRRSA-N 403.508 1.984 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722317177 NBDFHDVTSKUFMS-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCCn1cnnn1 1722400851 BICQJLIYWQEOOH-UHFFFAOYSA-N 413.489 1.821 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCCC2)CC1 1722429060 GLAGZDGGDDVMJM-UHFFFAOYSA-N 414.554 1.355 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCSCC2)CC1 1722573276 SEOXMGSYYOJCJP-UHFFFAOYSA-N 404.584 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CCN1CCOCC1 1722696401 LYCRTEHFCLCXQY-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2COCCO2)C1 1722722110 YEOMLVNGIIAHRE-OALUTQOASA-N 416.526 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CC)C1 1722728336 QDIHHUAQOWQXBE-LSDHHAIUSA-N 416.569 1.017 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1722868143 ACGRKCNBVOVKHJ-MRXNPFEDSA-N 403.531 1.107 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCS1 1724039858 FKUCTZSXCSWZLU-XYPHTWIQSA-N 413.544 1.908 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C 1727649402 HDYCYMSCYXBFGJ-HNNXBMFYSA-N 408.491 1.740 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1Cc2ccccc2O1 1730758774 CYFKVQTWDRCSDN-KRWDZBQOSA-N 412.494 1.786 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1740640971 ARDOTHYYRRSMPJ-UHFFFAOYSA-N 412.519 1.115 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740662225 PUNYIKRBYXUBLB-UWVAXJGDSA-N 424.615 1.858 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCN(CCC)C2)CC1 1740708163 FEVPXWBUTBZWBM-LJQANCHMSA-N 412.582 1.928 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740808346 HYQVAQYBMVGUEJ-ZDUSSCGKSA-N 413.935 1.197 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1740909960 DZHWBMADLBNRHY-SJORKVTESA-N 421.567 1.594 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1740925682 MZMVGXJGOMTDGL-CQSZACIVSA-N 419.507 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740958517 CHSSXAYVWGDBFC-MRXNPFEDSA-N 424.465 1.220 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1740959497 XQZFHDAFFRCUNR-CQSZACIVSA-N 414.514 1.286 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1740964466 CNAJVHMFRUUPLL-RZQQEMMASA-N 407.515 1.236 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)C1 1740982660 VPQLSRJYVUQBGY-IXDOHACOSA-N 410.540 1.388 30 10 HDEE CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741286242 OIPYXDYNITUYMO-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE Cc1cccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742334209 LLVNXAOJNJMXEZ-UDJKBAMHSA-N 423.477 1.400 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1746541113 HVKKKMSHINYATL-MRXNPFEDSA-N 404.496 1.262 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNS(C)(=O)=O 1748658834 YKMQQQIWJFCKLN-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811065 ATLCPJCZJIIVNU-HNAYVOBHSA-N 405.524 1.307 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1748812586 XFXUODZEYZUJQS-ULQDDVLXSA-N 417.535 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCc2ccccc21 1748824849 KMDSWRSJYSFYGZ-UHFFFAOYSA-N 404.518 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1749004707 LWISYEXDAYUPHX-RXVVDRJESA-N 401.511 1.281 30 10 HDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749403151 XOUZYPMDPRCPOO-DLBZAZTESA-N 411.572 1.999 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1749574802 FQYSSGUNGFKTMF-SJORKVTESA-N 423.539 1.135 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749661098 YAIQDCIVIDVMEC-QGZVFWFLSA-N 410.522 1.940 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1749664560 RNWHSYBEVDUCHC-UHFFFAOYSA-N 400.458 1.445 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCCO1 1749729805 SGBJUPKSKJVSFL-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1750387917 DZGHFKYPAUJALP-KSZLIROESA-N 417.441 1.265 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1751089231 DDUUMRBNNBQFHA-QGZVFWFLSA-N 423.521 1.911 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)cs1 1751782488 JOZTUKYBPOYHRR-WQIZZMQYSA-N 420.564 1.664 30 10 HDEE C=CCCCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1758794407 JLUFCHSZQBESJX-UQZKUAJDSA-N 403.523 1.237 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760113052 PJEKXMCULBUQRZ-OTWHNJEPSA-N 416.570 1.573 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1760209952 KOJAONJZILEBEA-CADBVGFASA-N 419.529 1.846 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1760230644 MJZRITZEWDJSAN-UHFFFAOYSA-N 404.474 1.812 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760438183 ANWAKDRUOGNQNY-DLBZAZTESA-N 417.558 1.232 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1760450697 PTDWMMFGKBIPOA-SJORKVTESA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)(C)C)CC1 1760526301 KMNQLJWNZOKUJD-UHFFFAOYSA-N 414.558 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H]1C 1760548625 LYYFSGIKTLRPLH-HUUCEWRRSA-N 418.523 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](OCc2cccc(OC)c2)C1 1760550771 IZUPQPBFVSRPGE-IBGZPJMESA-N 420.535 1.991 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCOC1 1761235691 IFRZIYBLBZVVGF-NVXWUHKLSA-N 401.515 1.019 30 10 HDEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1762355284 WKHFRZWHYJEVQU-INIZCTEOSA-N 408.466 1.639 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1768243144 FMVLYCRXXXPGPB-CQSZACIVSA-N 418.523 1.070 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)C(C)(C)C 1770251636 UOUWRCNFNUHEMJ-UHFFFAOYSA-N 407.496 1.940 30 10 HDEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1770597696 SQTSGYIOSKPABJ-ZDUSSCGKSA-N 400.574 1.771 30 10 HDEE COC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1770770681 IBGBMIMMFGEKHY-GOSISDBHSA-N 413.526 1.731 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](COC)C2)n1Cc1ccc(C#N)o1 1771243571 ZGFUTSPVVYSZHP-YOEHRIQHSA-N 405.455 1.367 30 10 HDEE Cc1cccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1C#N 1851317273 GCCSJCJSPRZAEK-UHFFFAOYSA-N 404.414 1.914 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(CCOC(=O)[C@@H]2C[C@H]2C)CC1 1851792846 VDJYXFJHZKGDPV-RHSMWYFYSA-N 400.479 1.760 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCCn4c3nc(C(F)(F)F)cc4=O)cnc2c1C#N 1852333995 OURZEMZWSBJQRI-UHFFFAOYSA-N 417.351 1.844 30 10 HDEE COC(=O)[C@@H](Cc1ccc(Cl)cn1)NC(=O)Cc1cc2c(cc1C#N)OCO2 1852901558 QEIQVIAYCGNCLG-OAHLLOKOSA-N 401.806 1.778 30 10 HDEE Cn1nncc1CN(C(=O)CC#N)C1CCN(c2cc(C(F)(F)F)ncn2)CC1 1853478244 MDZWGXQCFTWHCS-UHFFFAOYSA-N 408.388 1.535 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCc3nc4ccccn4c(=O)c3C2)cc1 1853559739 BFSQXZITLPDFFX-UHFFFAOYSA-N 421.457 1.315 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccccc2F)C(=O)C1 1853953248 USERATZXHKTOCF-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cccc(OC)c2)C1=O 1854101983 ZZCQFUBNUORBJK-WOJBJXKFSA-N 413.518 1.864 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cscn4)C(=O)C3)C2)c(F)c1 1854196614 UCEHAHFUZVBQSQ-MRXNPFEDSA-N 413.478 1.713 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638192 IUNPDTOCQNJIBV-CXAGYDPISA-N 407.467 1.835 30 10 HDEE Cc1nc(-n2cccc2)sc1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855045617 KBOCZKCQRYFLEM-MRXNPFEDSA-N 412.519 1.515 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1=O)CC2 1855101183 WUYGKZQEWDPSIT-AEFFLSMTSA-N 405.462 1.419 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@H](C)n3nnc4ccccc4c3=O)C2=O)CC1 1855162245 CXQSLPBMMRYQLT-LPHOPBHVSA-N 409.490 1.912 30 10 HDEE C=CCN(CCCS(=O)(=O)NC(=S)c1ccccc1C)[C@H]1CCN(C)C1=O 1855366548 FETQVIXAYIRDQK-KRWDZBQOSA-N 409.577 1.699 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)CC1=O 1855533741 YLZJTATWOILVJN-INIZCTEOSA-N 417.487 1.311 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCC2 1856216728 NVKNORGWJHUQFP-OAHLLOKOSA-N 402.520 1.443 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856326265 DPPOBNQVPRPSPP-HOTGVXAUSA-N 412.519 1.323 30 10 HDEE CC(=O)N(C1CC1)C1CCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1857440327 GPLROKZZCXYKKS-MRXNPFEDSA-N 409.490 1.417 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1861614321 AVGSLYRNXMOFQK-MJGOQNOKSA-N 415.490 1.198 30 10 HDEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N(CCC#N)[C@@H](C)C(=O)O)CC2=O)cc1 1866319458 VPEJGFSAFGDLJK-ZFWWWQNUSA-N 401.419 1.432 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002551 OMWMABZNFWIZRF-QGZVFWFLSA-N 415.519 1.799 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 1885929194 VUDQBUXLCYLGJD-UONOGXRCSA-N 401.504 1.848 30 10 HDEE C#CCN(CCOc1nc(Cl)nc2c1S(=O)(=O)CC2)C(=O)OC(C)(C)C 2128031240 QFDKPQZNHGHUFD-UHFFFAOYSA-N 401.872 1.709 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1 2175163537 PFXIAXWNAOOZLE-VKJFTORMSA-N 401.529 1.728 30 10 HDEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)CNS(C)(=O)=O 2186596998 INCZURVNVDAJOS-LLVKDONJSA-N 402.347 1.116 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2ncsc2Br)c1=O 2226128437 KBWNSWALAZUJGT-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE CN(C(=O)C#CB1OC(C)(C)C(C)(C)O1)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 2243380271 WRRSXHQRZGKNAA-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE CO[C@@H]1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243394267 FLIFDHQATBMVQS-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243678014 CUIZDUPAWJKMIT-UHFFFAOYSA-N 424.332 1.455 30 10 HDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825527 FXYIGQSFSKAPEW-OCCSQVGLSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247859916 YVOOMSFRKXFVRP-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248053805 FODMKKCFOZJFFA-STQMWFEESA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2248406147 YYNSBDICBLBDKN-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2255826022 JEGYUPLJOZESLG-IRXDYDNUSA-N 422.338 1.959 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322758 QJPZHUFVMCEDJM-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CC1(C)C[C@@H](O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331598 PKQPTWWVILNJQA-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE CO[C@H]1CCOC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339104 SARVFBRLKZWLBG-OLZOCXBDSA-N 403.331 1.130 30 10 HDEE C[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282497595 RVPBCNNXDHMBGG-NHYWBVRUSA-N 401.721 1.952 30 10 HDEE C[C@H]1CNC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499650 QYIFIUWKTOGURN-TZMCWYRMSA-N 400.375 1.465 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=S1(=O)CCOCC1 2282829698 IMNPXDCHSFRURQ-UHFFFAOYSA-N 421.371 1.543 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC[C@H](C)C1 2282832593 QCXZRDFRSYUCDS-YPMHNXCESA-N 400.375 1.632 30 10 HDEE C[C@H]1CNC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866712 NVSVGGZEVMVTGX-JSGCOSHPSA-N 400.375 1.322 30 10 HDEE CSCCN(CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284404408 XYYCIESLFCFEBV-UHFFFAOYSA-N 421.371 1.486 30 10 HDEE COCCN(C[C@H](C)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2288020354 HJTAXRROIXLXQY-LBPRGKRZSA-N 405.347 1.065 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2361671416 WDLSXDQDUGLXQC-CHWSQXEVSA-N 400.375 1.840 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@H]2CS(C)(=O)=O)OC1(C)C 2362576958 POFBGTOODSAHQH-NSHDSACASA-N 400.331 1.092 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363692805 BHUWAXPBAZZDHR-HOTGVXAUSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2365202854 QAJCWBSBAQKWAW-LSDHHAIUSA-N 402.557 1.816 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CC)CCNC(=O)OC(C)(C)C 2365210634 ZIDSQBUQRLWNPE-BEFAXECRSA-N 404.573 1.847 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365212675 QZVNHQHKRCROBV-YGTYGHESSA-N 400.541 1.019 30 10 HDEE CCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](O)c1ncc(I)s1 2367316974 YWTIITMRKQJYOV-BZNQNGANSA-N 404.273 1.655 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367811727 LEVFWWGDBNYUQI-PMPSAXMXSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2367834456 RPRYBYXJYOWRIA-RVKKMQEKSA-N 400.541 1.163 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCC[C@H]1NC(=O)OC(C)(C)C 2372721436 FECJTIMJJCLZKZ-LBTNJELSSA-N 400.497 1.009 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2375197704 DZCLODVHEWJLME-QWQRMKEZSA-N 402.513 1.514 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 27106103 SOOMNQDOQYXQQA-UHFFFAOYSA-N 424.505 1.671 30 10 HDEE CC(C)(C)N1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)CC#N)CC3)cc2C1=O 219528879 UXOIUMWPSNRJQA-UHFFFAOYSA-N 410.474 1.963 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 219935828 XDIFOIUIFZTMQH-CHWSQXEVSA-N 424.486 1.110 30 10 HDEE N#Cc1ccc(O[C@H]2CC[C@H](NS(=O)(=O)CCN3C(=O)CCCC3=O)CC2)nc1 238865497 LRFDSPNZJHJGBZ-WKILWMFISA-N 420.491 1.102 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)ccc1Cl 433439623 LSCJNSOTCMBEKC-CYBMUJFWSA-N 403.913 1.400 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 463879645 BWCWQVFTEGSZHC-GOEBONIOSA-N 421.519 1.805 30 10 HDEE CCn1nc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(=O)c2ccccc21 465132928 SZKGITGSTCJTKF-CQSZACIVSA-N 403.446 1.429 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)n1cnc(C#N)n1 466950754 WOUNPNLTWPOURX-LLVKDONJSA-N 409.313 1.879 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 468983849 NFQHQJSZEKEPKD-TZIWHRDSSA-N 401.507 1.945 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](OC)C[C@@H]3CC(=O)OCC)cc2C1=O 479039570 GSNGZYIVZGJZCA-CABCVRRESA-N 400.431 1.651 30 10 HDEE COCCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 490332031 LIXJVCYYSYCJEF-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE COC(=O)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 517499576 ROHZIDDWRNOJRQ-QGZVFWFLSA-N 401.444 1.441 30 10 HDEE N#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 524710575 ABZMNDILASRMMN-UHFFFAOYSA-N 418.519 1.252 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 530290783 SXFGCHHDTAJZGX-IERDGZPVSA-N 418.494 1.934 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 534464230 DPWDJNZGWHZGEM-HNNXBMFYSA-N 409.471 1.931 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4cnccc4C)CC3)CC2)o1 535541682 GGALCVQJYKNPDK-UHFFFAOYSA-N 409.494 1.029 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 540602311 JPBOJCGOQKDYMG-OAHLLOKOSA-N 416.507 1.367 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)n1 545463237 MFWYASQQWDWNIE-UHFFFAOYSA-N 408.374 1.118 30 10 HDEE Cc1csc(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H](C)C#N)c2)n1 560802635 RFOSPIKHCDLWRD-JTQLQIEISA-N 400.507 1.690 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 567655310 NYGAZBJPHRSDCL-CQSZACIVSA-N 420.441 1.510 30 10 HDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1C(F)(F)F 572926672 GUXSFWYWEVOLTQ-AWEZNQCLSA-N 403.426 1.702 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)cc1 577243199 IIOGNAXWXFEUKH-UHFFFAOYSA-N 413.455 1.892 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)c(F)c1 585719409 ROKLQAPFJWPAND-LJQANCHMSA-N 408.433 1.793 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCCN2CCCS2(=O)=O)n1 611599311 WFCGIWFDPIIHIV-UHFFFAOYSA-N 406.443 1.430 30 10 HDEE C#CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 731213632 JWCJLCVFXCKNIJ-KRWDZBQOSA-N 412.433 1.295 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2ccc(C#N)nc2)NC(=O)N[C@@H]1c1ccccc1 734601615 WRIFOBVLWHQDLK-GOSISDBHSA-N 406.398 1.981 30 10 HDEE COC(=O)[C@@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 740217517 IZNCEDFOBCIWFU-IBGZPJMESA-N 412.423 1.802 30 10 HDEE COc1cccc(C(=O)COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 745495810 IVERDAARMAZSHR-ZDUSSCGKSA-N 416.455 1.938 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1=O 749533097 IOFUXIOPAMWURL-TZIWHRDSSA-N 423.561 1.976 30 10 HDEE Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cccc1S(N)(=O)=O 754331561 PWHJWGGSRVUMNF-UHFFFAOYSA-N 401.444 1.746 30 10 HDEE C#CCN(C(=O)NC[C@@H](OC(C)C)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 771371979 MMAROUZKAXIJRF-QFBILLFUSA-N 408.520 1.993 30 10 HDEE C#CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 774039048 KJMCITSUFRGWIV-IBGZPJMESA-N 421.588 1.932 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2)[C@H]1CCS(=O)(=O)C1 774043187 KVIOSCBUEPOWKF-INIZCTEOSA-N 404.492 1.433 30 10 HDEE C#CCN(C(=O)NCCc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 774206951 HPAKVIOTDAXNSJ-AWEZNQCLSA-N 410.492 1.087 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 774245734 DMLOVGLXTQUSIO-ZBFHGGJFSA-N 402.476 1.553 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)n1 788815873 ZRTZWXUCPMUZTR-HDICACEKSA-N 411.506 1.814 30 10 HDEE CCN1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1=O 792255799 OLJARMTVGAERJN-FXBPSFAMSA-N 421.523 1.933 30 10 HDEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 792745469 INDKBGSCAULUSC-JKSUJKDBSA-N 417.535 1.501 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)cc1C#N 803644030 DVRRLIDLLWPQBX-FQEVSTJZSA-N 420.513 1.864 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1CC(F)F)/N=C1/NS(=O)(=O)c2ccccc21 804723337 WSVIVOJGFHBKPW-NEPJUHHUSA-N 401.435 1.386 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(Cc3nccn3C)CC2)CCCN1C(=O)OC(C)(C)C 809669084 YUHDWFPHDNJWGU-QFIPXVFZSA-N 415.538 1.857 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1(C)C 816289948 DCGBUYJJOCVQSJ-VFNWGFHPSA-N 422.526 1.669 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c2C)cc1 920322641 PBDKTECWLDPZIK-UHFFFAOYSA-N 409.471 1.945 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1116458034 ZVGLNJNAIITZHS-JVMRMLDLSA-N 414.506 1.544 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C(=O)c1ccc(Br)s1 1124651519 RICVHUAKZIHXKB-UHFFFAOYSA-N 410.253 1.763 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)Cc2cn(C)c3ccc(F)cc23)C1=O 1129820823 YQJZGJCUKUVZHW-LBPRGKRZSA-N 400.410 1.341 30 10 HDEE Cc1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1S(C)(=O)=O 1129896782 HBVIJBQDQLCPOA-UHFFFAOYSA-N 407.473 1.076 30 10 HDEE C#C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1134718519 MUAMUBYJXRZRTQ-KRWDZBQOSA-N 418.515 1.888 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1 1136927358 ZRTJBXMBQLJFAD-FQEVSTJZSA-N 406.571 1.639 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1144429292 QQSLHGDPZOQWEH-KXRUUPHUSA-N 422.482 1.044 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(N)(=O)=O)CC1 1151090780 FEAQGNBHIIESKD-AWEZNQCLSA-N 404.533 1.020 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1154959639 VEIURULOPSRQGM-CVEARBPZSA-N 401.511 1.962 30 10 HDEE C[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1157076036 DPFVDGHRMAIVJW-HNNXBMFYSA-N 420.469 1.917 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@H]4CCC[C@H]43)ccc2c1=O 1158084529 OBFFLHSDDMZCBK-CVEARBPZSA-N 419.528 1.663 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C)C3)n[nH]2)c1C 1158353681 CILWSHAMDBCDSX-IFXJQAMLSA-N 403.508 1.583 30 10 HDEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1164489803 BBSHFJKINUFBMG-LJQANCHMSA-N 423.498 1.670 30 10 HDEE C#CCNC(=O)C1CCN(C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1169698918 UHWMMJIVEWFMOA-INIZCTEOSA-N 405.495 1.000 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC#CCN(C)C 1170984359 MUQFCTCAWULNSS-HXUWFJFHSA-N 401.532 1.824 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 1177346640 OQKOKMDSVCDIJX-GXTWGEPZSA-N 405.398 1.453 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190985583 AHWIASQAGDGDCC-CHWSQXEVSA-N 401.872 1.470 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 1225877597 AWJVIHLGKWDTCE-INIZCTEOSA-N 404.536 1.421 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2=O)cc1 1227630406 AZUOSGJEBPOJRK-WOJBJXKFSA-N 410.449 1.701 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 1228795773 JITQJHPBKDUXNP-JOCHJYFZSA-N 421.497 1.968 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1230535916 SSZPUNIZWXTKOK-QGZVFWFLSA-N 412.538 1.284 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1233926885 AANHNHIXTQONKL-SOLBZPMBSA-N 404.511 1.915 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(CCc1ccccn1)Cc1ccncc1 1256478296 HXGGFZMCNPBPPS-MRCUWXFGSA-N 420.473 1.757 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1286405912 MLFNKZGUELXIRT-UHFFFAOYSA-N 417.922 1.707 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(C)(=O)=O 1286416005 OOBAMPRIWXBACT-UHFFFAOYSA-N 415.519 1.096 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccs1 1286431249 NLGVUGOPPFIBKS-INIZCTEOSA-N 402.545 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1286431495 OJJLWJHHAIVTEC-KZNAEPCWSA-N 419.551 1.435 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1286444511 ZAAWUAJJUGEXAY-UHFFFAOYSA-N 412.494 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCOC2=O)CC1 1286476414 WZQGFZBIIFQWEB-UHFFFAOYSA-N 408.506 1.851 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC(C)(C)O)CC1 1286491538 WJZJPJXOTIKISN-UHFFFAOYSA-N 410.522 1.391 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286559284 VSZPCRNHQICMDV-UZLBHIALSA-N 402.543 1.222 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286603929 ZWIOHEJJCYBJSY-UHFFFAOYSA-N 423.539 1.911 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)CC1 1286637616 IPPVNIAKKKZODW-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1286734667 UPYMGLYLYZTZEQ-NRFANRHFSA-N 412.494 1.627 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1286786843 JRZUBOIYWCSAQZ-UHFFFAOYSA-N 407.478 1.430 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1286793613 HWLFIRJOHJOIFE-MRXNPFEDSA-N 400.439 1.976 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286834352 FWHBINIJGBVRIY-INIZCTEOSA-N 424.596 1.682 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1286954654 HDNUCVJLMQFKRQ-GVDBMIGSSA-N 404.515 1.452 30 10 HDEE C[C@H](CC(=O)NCCCO[C@@H]1CCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1297421702 SSZDSQDJEPKIMD-RDTXWAMCSA-N 409.508 1.553 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@](C)(O)c2ccccc2)cn1 1298818024 CNPAHSCOVSTQAP-GHTZIAJQSA-N 407.478 1.705 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1298928602 LAZSSEVSJKTBOF-UHFFFAOYSA-N 407.517 1.881 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1299170160 MRDWKZOSYKQJQM-SNVBAGLBSA-N 409.244 1.144 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1300295182 DJIPSXSSYOTBGS-LAUBAEHRSA-N 414.579 1.949 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1300295184 DJIPSXSSYOTBGS-UTKZUKDTSA-N 414.579 1.949 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1300380921 KCZOPXKKQVSJQW-INIZCTEOSA-N 409.494 1.834 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300409942 LGHXZNIBAZZESG-ROUUACIJSA-N 400.527 1.778 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1300459226 PSPAHZOICVUORZ-MRXNPFEDSA-N 403.508 1.482 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1OC 1300471891 TUKZQJHZNDTEOH-UHFFFAOYSA-N 413.478 1.544 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300491815 IXMLRHPICMLRCN-PKOBYXMFSA-N 419.595 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(CC)CC)CC1 1300720013 ZCTPNTVEDKWMFL-QGZVFWFLSA-N 424.553 1.431 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1300775917 COWUFUQXFWXIAP-UHFFFAOYSA-N 411.535 1.774 30 10 HDEE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1300779844 FNTMUKLEFIOEMU-BFUOFWGJSA-N 404.492 1.328 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301054607 STUYEGJRTVTJCF-NJAFHUGGSA-N 412.469 1.764 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=C(C)CC1 1301496929 KGVVKZLTTGONRU-UHFFFAOYSA-N 419.489 1.651 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C)CC1 1301510347 UTXCJCGQMZBTOS-UHFFFAOYSA-N 402.524 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2F)CC1 1301520611 JPNPAPFVLHUPMO-GOSISDBHSA-N 414.485 1.898 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)C1 1301556469 HSMFFVRSNRSEOA-IAGOWNOFSA-N 409.556 1.057 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 1303112167 SAJYLURPNLHUQO-WMZOPIPTSA-N 424.519 1.772 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1=CCCOC1 1303828915 PNTJUHVEWZXSRH-CQSZACIVSA-N 408.528 1.365 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3ccc(S(=O)(=O)NC)cc32)c1 1307533442 HIQCSRVWUUOODW-UHFFFAOYSA-N 412.471 1.287 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN3CCC4(CC3)CC(=O)C=CO4)OC2=O)C1 1308117472 TYIMHFPYASIVLI-INIZCTEOSA-N 406.479 1.877 30 10 HDEE C#CCSCCNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1312051079 XMVYIKCYIOYQNZ-CQSZACIVSA-N 405.524 1.940 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1312885111 OPWNSXLRWVXIPQ-SYNHAJSKSA-N 404.536 1.572 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1CCOC1 1314388615 PALRSRVVWLKCFW-KRWDZBQOSA-N 411.510 1.834 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C)CC2)n1Cc1ccc(C#N)o1 1314394356 ZDLBXVZOFPGDQS-UHFFFAOYSA-N 408.466 1.753 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1320031717 ZKYQRXBDVPDSEA-SOLBZPMBSA-N 408.520 1.902 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1352574074 IIZZJZTUYZATRF-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)COCc2ccnc(O)c2)c1 1357484769 VOWMMFXJNSKPSE-OQKWZONESA-N 418.475 1.755 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358887456 XQLRCOOPIVCBRS-LZLYRXPVSA-N 423.521 1.356 30 10 HDEE C#CCN(c1nnc(C)n1Cc1c(F)cc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1358957333 SQZGFQOVSCGPRX-NSHDSACASA-N 416.400 1.818 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCCNC(=O)OC(C)(C)C)CC1 1359039298 CPILHYZJRLIJCW-UHFFFAOYSA-N 420.558 1.875 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H](C)CN2CCOCC2)CC1 1359044089 VHNYGGYOFUYFEC-QGZVFWFLSA-N 414.554 1.090 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(O)CC(OCC)C2)CC1 1359045848 VUOFPFKEPVNMTL-UHFFFAOYSA-N 417.554 1.372 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1359054639 BWGBWBAJLSKDSY-UHFFFAOYSA-N 418.523 1.333 30 10 HDEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1359138716 BTVKQCFNYSRSEL-IBGZPJMESA-N 411.506 1.790 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CCC 1359295503 DKUHLVXIRCSGLB-HNNXBMFYSA-N 409.498 1.848 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2COCCO2)C1 1359313550 NWEIFTXBPJSMHP-LVCYWYKZSA-N 422.526 1.517 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1360693399 HUGDFNXJNUGVJM-ZSZQSSIHSA-N 423.587 1.359 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2nn3c(c2Br)CCC3)c1 1434931457 ZZRRUGKHAATZOJ-UHFFFAOYSA-N 401.264 1.966 30 10 HDEE COCCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1436027037 BSKBEPPBINSBGI-OAHLLOKOSA-N 401.854 1.724 30 10 HDEE Cn1c(N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(C#N)c(=O)n(C)c1=O 1458670277 UVCBGHZLJMIBHZ-SFHVURJKSA-N 419.279 1.206 30 10 HDEE COC(=O)N1CCC(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 1464065806 KLURVTBVMKUDOE-UHFFFAOYSA-N 410.478 1.853 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(C(=O)N(CC)CC)CCCCC1)c1cc[nH]n1 1464405614 MSMVZZIIMGGWJS-UHFFFAOYSA-N 421.498 1.381 30 10 HDEE O=C(Cc1ccc(Br)cc1)N[C@H](C(=O)NCC#CCO)c1ccccc1 1467503239 GSYDGSRPASWNMR-IBGZPJMESA-N 415.287 1.961 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)C(=O)OC 1467515130 FOXDPKQYUSVUCM-CVEARBPZSA-N 407.467 1.378 30 10 HDEE COC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1470033075 OMJOCHMPGHHCSO-OTWHNJEPSA-N 400.479 1.400 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CCO1 1470137098 LDGIABZMWPURAS-LEWJYISDSA-N 411.462 1.736 30 10 HDEE CCOc1ccc(C[C@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1470433926 QKOGIPJHSTXKKT-RIFZZMRRSA-N 405.520 1.844 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c1 1471624922 YABWQANMHDYPLM-KRWDZBQOSA-N 406.504 1.304 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](N2CCN(C(=O)CC#N)CC2)[C@H](O)c2ccccc21 1473482606 BRXUOBPGPSKTEK-PKOBYXMFSA-N 400.479 1.902 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)ccc1C#N 1475113282 BTPDNKGGWYEALL-GFCCVEGCSA-N 422.326 1.023 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C1CCOCC1 1478604036 RQYDPIFMGKMYKD-RTBURBONSA-N 415.490 1.532 30 10 HDEE CN1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](CNC(=O)OC(C)(C)C)C1 1479160407 YTMVCUOVBOBEME-MOPGFXCFSA-N 413.522 1.876 30 10 HDEE CN(C)CC#CCNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1479194825 ZODADKQLZOYFOB-UHFFFAOYSA-N 407.540 1.801 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1505320592 OFRSWDYJHIQOED-IAGOWNOFSA-N 424.496 1.878 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1507605528 VNIRBPSTCZNDIO-HNNXBMFYSA-N 420.539 1.277 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1507631409 PBLVSZOYIDYTFV-HLLBOEOZSA-N 400.508 1.723 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCC(=O)N(CC)CC)CC1 1507724100 GRDCUBROYBWFPQ-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1507836827 AXAKUNFBFUTLKY-SMLCLMEVSA-N 409.556 1.716 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507954216 LLMKMQVJVRLUDA-KRWDZBQOSA-N 421.567 1.595 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1507987741 KORWHPHDXSGVCI-JXFKEZNVSA-N 424.567 1.910 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)NC(=O)OC(C)(C)C 1508405697 HVQAIARKDWEQDR-UONOGXRCSA-N 407.519 1.925 30 10 HDEE CCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1516206627 ZKMWGJNDIXNKCO-KNTRCKAVSA-N 415.537 1.653 30 10 HDEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517016300 POAKRUIISNMUMH-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1(NC(=O)OC(C)(C)C)CC1 1519190360 GHZLASDKZZBLCU-AWEZNQCLSA-N 400.483 1.833 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3nc(C)n(C)c3=O)c2)c1 1524042689 QPHAZANJGUTTCL-UHFFFAOYSA-N 404.426 1.715 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCS(=O)(=O)N1CCCC1 1536483193 XMYSJAYNEJUBFL-CQSZACIVSA-N 402.517 1.115 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1539405698 JAGYAQGPEKTOFH-QHCPKHFHSA-N 418.501 1.914 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](OC)C2CC2)CC1 1539427628 FJIPJBNNOQQHMO-GOSISDBHSA-N 402.543 1.377 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOC(F)(F)F)CC1 1539453802 RUEDXEAWAWESEG-UHFFFAOYSA-N 408.428 1.946 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1539556053 IYOSLNOAWGLJOU-JBYIUTFZSA-N 414.554 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)C)CC1 1539644021 NRJDOBLVTLTGPR-NQIIRXRSSA-N 416.570 1.912 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CCOC 1539668687 CEUHQEWNURYXGY-QAPCUYQASA-N 400.545 1.370 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1540073376 PPAUCGMEWDWSDF-HNNXBMFYSA-N 413.507 1.431 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1540092755 QUHMOVWMRJRYDS-HZPDHXFCSA-N 414.572 1.880 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1540164301 LRIZTCAAGOWLAN-CQSZACIVSA-N 419.507 1.619 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)N(C)C)C1 1540887471 XTRKZUGSEYHOHF-VQIMIIECSA-N 423.525 1.652 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c1 1543314583 BRPDQSXOFZMOTM-IERDGZPVSA-N 401.463 1.483 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OC 1544352308 RETUKLIHGQNRJY-RHSMWYFYSA-N 400.431 1.699 30 10 HDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1548271882 JIEFPRNHLWZPPH-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1554511020 KLXOICDBCSXKIU-UHFFFAOYSA-N 402.480 1.044 30 10 HDEE C#CC[C@H](NC(=O)c1sccc1S(=O)(=O)NCc1cccs1)C(=O)OC 1556970868 KSZSSYZSVFOMJQ-LBPRGKRZSA-N 412.514 1.583 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1F)[C@H](C)O 1557344407 KZXQQFIZYVDSJW-ZJNRKIDTSA-N 405.451 1.602 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1565238789 CFGVVDMPKXIIIJ-LJQANCHMSA-N 421.457 1.485 30 10 HDEE CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565629670 FRWMYWIOLJIZSC-HFUDNHEJSA-N 408.499 1.959 30 10 HDEE C#C[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)c1ccc(Br)cc1 1583565236 FQNURRITWCPGBL-CQSZACIVSA-N 400.294 1.833 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(F)c1 1585573849 KROZHXCZNRKFNP-GFCCVEGCSA-N 419.434 1.467 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 1585780334 BBQHFPMCVYBHSW-QWHCGFSZSA-N 405.417 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1587568417 PZCQDCXSRQWOML-IIBYNOLFSA-N 419.526 1.867 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1587989402 JBRHCGHMDQORLV-FUHWJXTLSA-N 413.547 1.701 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064188 CKRKFPFWFCCVNJ-DAXOMENPSA-N 405.549 1.841 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1588065478 ZKVYDJACUKRMKB-LJQANCHMSA-N 419.595 1.733 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1588083684 IFBREOZHKXAGDN-VGOFRKELSA-N 411.481 1.697 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2(SC)CCN(C)CC2)CC1 1588858161 XZTVTCPDKQCPMG-UHFFFAOYSA-N 402.612 1.813 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1589077882 DHLYUHIZGVPFJU-UHFFFAOYSA-N 420.583 1.016 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1594914042 UGDZHZMGCRVEQA-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)C1 1595791066 WSHPVLPNFZPCNW-OAHLLOKOSA-N 405.458 1.044 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1595884807 UEXHOQDTYYRXQD-CVEARBPZSA-N 413.613 1.630 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1597892132 DBZILCAWIWSLKC-HNNXBMFYSA-N 422.356 1.400 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CC[C@H](COC)O3)cc2C1=O 1611079037 SOPUOUPIYMDGSG-ATZDWAIDSA-N 414.458 1.504 30 10 HDEE Cn1c(=O)[nH]c(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c(C#N)c1=O 1611777541 GWXYACCIHLSZMB-UHFFFAOYSA-N 409.368 1.166 30 10 HDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1615098067 DVUUZALFZXSTRO-HXUWFJFHSA-N 413.482 1.614 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(Br)no2)c1 1622162044 DMXYFYOTVHNOBB-UHFFFAOYSA-N 400.254 1.831 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)o2)cc1 1624460724 CRWSTFHTFPMQNM-NRFANRHFSA-N 411.414 1.088 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCCCC(=O)C2=O)n1 1626530140 LJNMXCMDDZNEEV-UHFFFAOYSA-N 420.520 1.320 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 1627412148 CAULWHNAKZRNQG-UHFFFAOYSA-N 409.236 1.946 30 10 HDEE Cc1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)cc1S(=O)(=O)NCC#N 1630161760 NDFYQOZCYJIQMV-UHFFFAOYSA-N 401.435 1.467 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1630940139 MULMKVFRGFMYOJ-WOYTXXSLSA-N 415.490 1.216 30 10 HDEE C=C(C)C[C@@H](NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1633297463 RPLOYZDLEHMVOQ-CHWSQXEVSA-N 417.915 1.806 30 10 HDEE N#Cc1cn(CCNC(=O)CCCc2ccc(Br)cc2)c(=O)nc1O 1633549855 BSIYPDGMTLQUNP-UHFFFAOYSA-N 405.252 1.722 30 10 HDEE Cc1ccc(C(=O)Nc2ccc3c(c2)OCCN3C)cc1S(=O)(=O)NCC#N 1633656197 FUEHOQUQWJOFAW-UHFFFAOYSA-N 400.460 1.878 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)C(=O)OC 1634063647 NYPZNXCEAUALFO-GFCCVEGCSA-N 413.496 1.950 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cn1 1634121458 KHQSVJPDBSJRPM-UHFFFAOYSA-N 417.513 1.759 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCN3C(=O)COc4ccccc43)CC2)cc1 1634424671 FQLPBCNIAXFHAM-UHFFFAOYSA-N 405.458 1.815 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1635079543 UTFJDRYEDCBHJQ-XHSDSOJGSA-N 415.556 1.517 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2cc(OC)ns2)s1 1636051424 HKURAJNWKLLLRC-UHFFFAOYSA-N 401.535 1.879 30 10 HDEE CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)co1 1637512681 BFFFCAZFLBIQKN-SNAWJCMRSA-N 412.402 1.466 30 10 HDEE CN(C)C(=O)N1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1639050676 XTNCEBQSIJGPTC-UHFFFAOYSA-N 402.451 1.284 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc21 1639674361 OZLIKLTYILIGIY-IAGOWNOFSA-N 424.457 1.897 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1641040530 JUJPXIYUEBEFHA-HNNXBMFYSA-N 403.483 1.450 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1642103392 XSYHOYQNOMEMQJ-DLBZAZTESA-N 401.825 1.944 30 10 HDEE C[C@@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCN(C(=O)CC#N)CC1 1643135361 JGRDGVQSPPOMAM-LBPRGKRZSA-N 423.395 1.437 30 10 HDEE CCOC(=O)c1cnn(CC(=O)NCCc2ccc(OC(F)F)c(OC)c2)c1C#N 1643818813 FNPKEJVUIBODKX-UHFFFAOYSA-N 422.388 1.900 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(CCF)C1 1648879911 CKGDOVNBWWOBDP-INIZCTEOSA-N 424.542 1.836 30 10 HDEE COC(=O)c1ccc(N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)n1 1651492455 JYMBOLQNDXMTLN-LBPRGKRZSA-N 415.450 1.372 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1659390641 CUECDXDVWQAECG-RDGPPVDQSA-N 420.579 1.613 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 1661679842 ABOIQSHFMCTESD-UHFFFAOYSA-N 412.443 1.387 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 1663717204 DWAJDDBLRAYVOC-HOTGVXAUSA-N 418.560 1.576 30 10 HDEE CC[C@](COC)(NS(=O)(=O)c1cc(Br)ccc1C#N)C(=O)OC 1664297390 GCEIIHDPBAWBFH-CQSZACIVSA-N 405.270 1.567 30 10 HDEE N#CCc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1672116811 OPAVXUMEGGZUIR-UHFFFAOYSA-N 408.430 1.809 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1)C(C)C 1675965089 YFXAHPZPTBRYPN-QZTJIDSGSA-N 412.542 1.701 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@@H](CC)CC3)CC1 1676849017 AIQRBJCZEFUKHJ-ZDUSSCGKSA-N 411.553 1.275 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1680684754 HAJQKBUDJPZJKU-HUUCEWRRSA-N 401.529 1.771 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)cn1 1684600317 HPCHIXOMWKEWDJ-UHFFFAOYSA-N 419.489 1.510 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H](C)O1 1686181360 IIFCSBGGXNSJEK-MFNRNEDNSA-N 402.451 1.615 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)N2CC[C@](O)(CC#N)C2)C1 1687603652 QBBBQZCJYVEEHY-SUMWQHHRSA-N 402.442 1.939 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689887298 WLPVDLUGHJXHHX-UHFFFAOYSA-N 421.505 1.973 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1689986409 PCLVIGMGLBXXCM-MRXNPFEDSA-N 419.576 1.830 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N1CCCC1 1690015488 OAGWFRSALUGKHI-QZTJIDSGSA-N 406.490 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCO[C@H]1C 1690105170 VYYRSNVVXCDEJI-IFXJQAMLSA-N 405.524 1.260 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690170951 RZXFLFHHTAPUHM-UHFFFAOYSA-N 403.552 1.597 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690327290 MXGPEBMECFULQC-SFHVURJKSA-N 410.906 1.980 30 10 HDEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690466896 FJHRTPDAHQORIF-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690507029 AWWBYYYYDNIFCT-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCO2)n1Cc1nnn(C)n1 1690558727 YWTJOVSJKRZVNU-QGZVFWFLSA-N 410.482 1.903 30 10 HDEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1690975783 MWBUNPVNVMGLAA-FQEVSTJZSA-N 413.482 1.662 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CC2)CCOC1 1692589538 ATNQSNTYGQAIHG-LSTHTHJFSA-N 405.499 1.208 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1696021056 ALTKDNLIUJMZSA-UTKZUKDTSA-N 420.558 1.637 30 10 HDEE CCS(=O)(=O)NCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1C(C)(C)C 1696500656 YRTHHGFIFQQXKC-MRXNPFEDSA-N 423.587 1.082 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCOCC1 1698238945 PZWLJFURBXWONC-IRXDYDNUSA-N 405.499 1.284 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1705493341 HFOXANOBPJURHH-VQIMIIECSA-N 420.517 1.858 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1705500091 GBZMSDZGSJVKTE-MRXNPFEDSA-N 404.478 1.487 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705524045 FHQXFYITPAQDBX-AEFFLSMTSA-N 402.499 1.727 30 10 HDEE C#CCCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1705539727 ZQKFEKYCPLCOQZ-QFIPXVFZSA-N 415.538 1.792 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1705613016 UMTQHLNCVXKQJS-OAHLLOKOSA-N 423.564 1.489 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1705616534 BRBJWYFCUFTSGY-FMQUCBEESA-N 422.493 1.126 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCCCC1 1712566096 KGNFTRBXOGHBDQ-QRVBRYPASA-N 420.558 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722276468 HNXBRYBQTUENJA-AWEZNQCLSA-N 418.519 1.997 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722335615 VHNDBVSOQHRGLI-GOSISDBHSA-N 424.480 1.894 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCN(C(C)=O)C1 1722373711 LUXMHDJGAFVTOO-PKOBYXMFSA-N 401.511 1.333 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1722390189 PBGWVTMJPOVMTF-UHFFFAOYSA-N 418.523 1.146 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1722453552 XLQDKTNXLNUTKD-UHFFFAOYSA-N 406.556 1.087 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCOC[C@@H]1CCOC1 1722466439 VBRSHNNRDUIPHF-LAUBAEHRSA-N 403.527 1.852 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn(C2COC2)nn1 1722518372 CFWSGDJUYJKDPX-YJBOKZPZSA-N 417.514 1.616 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1722672049 IVYLNPIZRKIQRQ-IAGOWNOFSA-N 409.556 1.079 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC(O)CC2)C1 1722712448 SBUHWOYYFVNFIQ-SFHVURJKSA-N 400.527 1.901 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722740924 VTZGJBFRMVGQJH-IXDOHACOSA-N 422.599 1.694 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1723643118 FYHUWAZAVIZDQM-ZWKOTPCHSA-N 421.505 1.398 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740539744 VIXPOCLQUFAMID-ABSDTBQOSA-N 424.567 1.601 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1740695861 GBPUETVNAHEUPL-HXUWFJFHSA-N 422.533 1.244 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740714930 OTFKKPCXWSEWPG-GJZGRUSLSA-N 407.565 1.964 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1740786997 WFLRBMMEPHQRNG-FQEVSTJZSA-N 405.499 1.103 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 1740825366 NIDLELLYHFIDHE-CYBMUJFWSA-N 412.466 1.977 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1740909958 DZHWBMADLBNRHY-IAGOWNOFSA-N 421.567 1.594 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CCOc1ccccc1F 1740959812 FJNNPGGBYUYVGG-OAHLLOKOSA-N 403.458 1.739 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740991510 YAJHZQQBYYZPJN-IBGZPJMESA-N 423.539 1.567 30 10 HDEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1742471992 JNABVTPNHPWCSJ-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1744301070 GACCAUPIWDUKGE-HZPDHXFCSA-N 407.540 1.879 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@](C)=O)cc1 1748803165 OZOYSHZRZLADCO-GWZHAIQQSA-N 416.547 1.998 30 10 HDEE C#CCN(c1nnc(C)n1CCN1CCc2sccc2C1)[C@H]1CCS(=O)(=O)C1 1748805553 UPAVMXBFTMTIJC-KRWDZBQOSA-N 419.576 1.333 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1748848923 YBQWHCHMYLMTOX-UHFFFAOYSA-N 412.515 1.528 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CC=CCC2)CC1 1749009497 BUUZNYHAXMYIMM-UHFFFAOYSA-N 419.533 1.568 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1749500102 VQRWBOBGCQFILJ-FQEVSTJZSA-N 414.535 1.903 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC2CC2)C1 1750378259 GABAJFTZTBWUPH-HXUWFJFHSA-N 416.432 1.964 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1750570765 URAIFHJHTKNTBI-LJQANCHMSA-N 417.445 1.220 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1751813113 GBERFOGAMHXOCP-QGZVFWFLSA-N 420.433 1.923 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1760095473 PUTYFEAJZFCKGT-CQSZACIVSA-N 400.508 1.464 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1760170398 ATDDZUHZHFSOCM-OAQYLSRUSA-N 410.478 1.049 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1csc(COC)n1 1760243483 MAYUVCVPPMFHKS-UHFFFAOYSA-N 418.523 1.251 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1760256704 IWTNDQCWTVRUEC-SLFFLAALSA-N 419.570 1.818 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2)CC1 1760260503 VCWDAQCJJYMFIQ-QGZVFWFLSA-N 424.505 1.050 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)C2CC2)CC1 1760269279 DETVGFQUJJNUCA-XMSQKQJNSA-N 415.538 1.647 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760566208 OHZQBMDLXMCTHK-CABCVRRESA-N 400.570 1.715 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761042028 MINCTIVMYXBCSI-FTHOYRMOSA-N 416.526 1.864 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1763787052 KJJIJWBKMTZUQQ-KBPBESRZSA-N 406.512 1.775 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C1CC1)N(C)C 1766335579 HNBINBNTHXWUBN-SFHVURJKSA-N 411.510 1.690 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cn1 1767455328 JIWFNZIORLVCNZ-FXAWDEMLSA-N 416.505 1.357 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1768670346 AQGNWCAWUNZOQD-QZTJIDSGSA-N 410.478 1.169 30 10 HDEE CN1C(=O)NC2(CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CC2)C1=O 1768994465 BUAYVFDSRRIMFK-UHFFFAOYSA-N 411.466 1.609 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1769199662 HGZJKNXREGGVEP-OALUTQOASA-N 424.505 1.585 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1769736634 ZUVQOFRSTLTYOO-QGZVFWFLSA-N 412.494 1.857 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1770058349 HKRAPGGHMASRQB-YWZLYKJASA-N 417.466 1.511 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)OC 1770760225 AZGWRTZXLWNPKA-SJORKVTESA-N 419.507 1.101 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)C1 1771528258 MJNACTJHGHTHDX-SJCJKPOMSA-N 421.383 1.792 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)ON2C(=O)c3ccccc3C2=O)cc1OC 1772792721 MMVINPYDTDBOAX-UHFFFAOYSA-N 419.411 1.622 30 10 HDEE N#Cc1ccc(OCCO[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848606784 GUNSPOGTVCZRMK-NHCUHLMSSA-N 405.454 1.966 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)C1CC(=O)NC(=O)C1 1848821721 MWGQNVBICAUQCG-SFHVURJKSA-N 416.474 1.091 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1849587183 HPLDOOOPOWZIGY-UHFFFAOYSA-N 411.462 1.449 30 10 HDEE CCCn1c(C(=O)Nc2nc3n(c2C#N)CCCC3)cc2c(=O)n(C)c(=O)n(C)c21 1850672543 JOQZHFBTTUWXDV-UHFFFAOYSA-N 409.450 1.105 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1850872184 NIZCZSFRMLAZHL-GFCCVEGCSA-N 406.335 1.990 30 10 HDEE O=C(c1nccnc1N1CCOCC1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851717893 UUWOPRHPUXZSLA-UHFFFAOYSA-N 421.401 1.187 30 10 HDEE Cn1nc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1-c1cccnc1 1852795432 BBBUCNMKMPWQKJ-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)COc2cncc(Cl)n2)CC1 1852813873 YZXLSYOYXJPHJL-UHFFFAOYSA-N 402.842 1.141 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCN(CC)CC)C3(CCCC3)C2=O)CC1=O 1853947621 WXMKINARTWKBKC-SFHVURJKSA-N 404.555 1.346 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccccc2-n2cnnn2)C(=O)C12CCCC2 1854453694 DKHKJRYFUDMIDL-MRXNPFEDSA-N 407.478 1.952 30 10 HDEE Cc1ncc(CCC(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)s1 1854984679 GOGXHKPEQSQFAN-NVXWUHKLSA-N 403.552 1.822 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCN(C)CC34CCCC4)CCC2=O)CC1=O 1855412760 XEIYOKWPPRUKOR-OALUTQOASA-N 416.566 1.346 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1C[C@H](CN(C)CCC#N)CC1=O 1855727956 RTCCVYGJZFVWCA-INIZCTEOSA-N 408.458 1.680 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855807243 RSIDJBDJEQHGRQ-KBXCAEBGSA-N 409.467 1.646 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cn3cnc4ccccc43)C(=O)C2)C1 1856856558 DKKOTVFPORKEQG-RBUKOAKNSA-N 409.534 1.994 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cn(C)nn1 1857018820 KIHNQKBQZZOXPF-CQSZACIVSA-N 415.475 1.274 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(OC)ccn2)C1)[C@H]1CCN(C)C1=O 1857080021 JDYPBVYLOPSXLQ-YJBOKZPZSA-N 400.479 1.188 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857151819 QWUOLFAAMXKTTH-NVXWUHKLSA-N 402.474 1.370 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cn4ccccc4n3)C(C)(C)C2=O)CC1=O 1857177188 TUJFDFXCPRNHJO-MRXNPFEDSA-N 409.490 1.318 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1857224179 ZGTWGDOBMBIRJT-GOSISDBHSA-N 417.531 1.851 30 10 HDEE CCC[C@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387431 MOCWERYLWSKOIZ-ZBFHGGJFSA-N 402.474 1.372 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(C(=O)O)cc2)c1 1862559076 GYQYSGAYSNUMMN-GOSISDBHSA-N 423.425 1.681 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCCC2=O)=C(c2ccc(OC)cc2OC)C1=O 1863753729 OFYUTZIXYYBCPX-UHFFFAOYSA-N 413.474 1.572 30 10 HDEE C#CCOc1cn(Cc2ccncc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871007360 YRZRBVBFCLOICU-UHFFFAOYSA-N 424.482 1.563 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCN(CC)CC3)ncnc21 1873594116 LVMJFHFTPSIUQB-UHFFFAOYSA-N 408.510 1.455 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 1890148306 KUXCOISEOGSWRY-UHFFFAOYSA-N 417.525 1.853 30 10 HDEE COc1ccc(-c2ccc(S(=O)(=O)NCC#CCN3CCOCC3)cc2)cc1 1890239425 ZBTPFNYFWNKPKG-UHFFFAOYSA-N 400.500 1.976 30 10 HDEE CC(C)(C)OC(=O)NCC#CCOc1ncnc(O)c1I 1896170551 KXZMDHKMQZWNMZ-UHFFFAOYSA-N 405.192 1.694 30 10 HDEE CC#CCN(CC(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O)C(=O)OC(C)(C)C 1900638304 RWJJMBTXBXSXCN-SFHVURJKSA-N 417.506 1.948 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1984280595 DHJYTTXFESUATG-VXGBXAGGSA-N 413.334 1.432 30 10 HDEE N#Cc1ccc(CS(=O)(=O)Nc2ccc(I)nn2)cc1 2173024799 YRUDTWQBGXFBTK-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174785542 AGPLAIWTUGQUCS-HOCLYGCPSA-N 400.545 1.539 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)N1CCN(C(=O)OC(C)(C)C)CC1 2192472930 NLOBBMOHKLHZSO-ZDUSSCGKSA-N 414.553 1.839 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(F)ccc(N)c2F)[C@@H](C#N)C1 2235858072 BJRYQVZJBGJVJN-JTQLQIEISA-N 402.423 1.681 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2ccc(C#N)cc2)s[nH]1 2238243874 BZZBNVPRGQPBFV-UHFFFAOYSA-N 409.493 1.700 30 10 HDEE CN(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243425327 JIBJWLYEPGWZOM-UHFFFAOYSA-N 406.292 1.373 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NCCc2nccn2Cc2ccccc2)OC1(C)C 2255626505 GUYGIFNIVBLSIJ-UHFFFAOYSA-N 421.310 1.926 30 10 HDEE C=CC[C@@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258156118 DLCWRNJSJXHKMI-IAGOWNOFSA-N 410.492 1.825 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258163154 ZPRQBNDSUFLUTI-GOEBONIOSA-N 411.480 1.266 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2258169826 JZISXULLMDEEKY-IRXDYDNUSA-N 408.476 1.335 30 10 HDEE CN([C@H]1C[C@H](O)C1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267705275 XCAHJVBYQZNNSM-MGCOHNPYSA-N 407.750 1.845 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC2(C1)OCCO2 2281972002 KFEHYSUQXQKALH-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CON(C1CCNCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282330919 HEMWDYVAHAUAQL-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE CN(C)C(=O)C(C)(C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332873 HLTFPUXHUNRJJG-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE CCc1nnc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 2282340224 CRTVOACKYKGOAN-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341397 RQQYKOQKJLXOHS-OLZOCXBDSA-N 401.359 1.971 30 10 HDEE CN(C1(CN)CCCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282342037 BEWKJDKOLVIWSQ-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE CC1(C)CC(CO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491594 ODRGLJPODUQSJC-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE CC1(NS(=O)(=O)c2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CNC1 2282493937 WKLSEMQYBOINJH-UHFFFAOYSA-N 421.155 1.933 30 10 HDEE CC[C@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282503574 BYAIZVNWHDTOEQ-NSHDSACASA-N 402.347 1.206 30 10 HDEE CC(C)(CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282505686 HJUFANVXJPSIHQ-UHFFFAOYSA-N 403.737 1.936 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](O)[C@H](F)C3)c(Cl)c2)OC1(C)C 2282831552 AOIDXXFOKROKTO-OLZOCXBDSA-N 405.684 1.343 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H]4[C@@H](C3=O)C4(F)F)c2)OC1(C)C 2282848898 UELNLRQNMGHHGD-KOLCDFICSA-N 405.253 1.460 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CCO)C(F)(F)F)OC1(C)C 2282849099 WMNQCLWFUOKRAC-JTQLQIEISA-N 415.264 1.639 30 10 HDEE C[C@@H]1CNC(C)(C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866667 NFHZBLSMAQKIRX-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282867505 ZZPMTSWWTXLZHM-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CCS[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870588 VADDEOCUOYGRQV-PWSUYJOCSA-N 401.363 1.200 30 10 HDEE C[C@H](CCN)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284002025 YNAGVDPAJNJZJA-CYBMUJFWSA-N 402.391 1.842 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284414662 SAUIEJICFYDEEZ-NSHDSACASA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CC(=O)O)C2CCC2)OC1(C)C 2288225315 KCNCPECOKKZLQR-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE C[C@@]1(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1CC2=NO 2328363525 IXBDYRUWCNAXDI-QHRIQVFBSA-N 405.476 1.611 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339666815 DKVPAWIUYXPHSY-BBTUJRGHSA-N 422.547 1.957 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CC1=O 2346446369 OQEPYGDJQIVMHP-OAQYLSRUSA-N 401.463 1.573 30 10 HDEE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362571696 QJSHLVJAXWJXAN-NSHDSACASA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C12CCC2 2365197293 UWXNZMOMCHSXPO-AUUYWEPGSA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C 2365203612 UNGWWQJJYPMPEX-FXUDXRNXSA-N 400.541 1.425 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365208069 BUAHXQDEBBCJEY-XUWVNRHRSA-N 400.541 1.555 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2365212062 QFPSBTKVZKWMTH-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796988 KQRLGXTZTZTAEC-UONOGXRCSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806154 ILAUXSVPUAXPES-ZRGWGRIASA-N 400.541 1.483 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)COc3ccc(N)nc32)nc1C 96495415 RZCYDVJKVRSMFY-UHFFFAOYSA-N 403.420 1.136 30 10 HDEE CCOc1c(OC)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 169883570 KHPDASIZOUQBAX-IUXPMGMMSA-N 423.407 1.142 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCN(c2ncccc2C#N)CC1 427520131 WTLJYGHGOCKAOL-QFIPXVFZSA-N 405.458 1.009 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@]2(CCOC2)O1 478337524 IMIXNZBRELUOIZ-IDHHARJASA-N 407.492 1.022 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c(C#N)cn1CCOC 481486977 AQDURKKMQLHXIT-YUELXQCFSA-N 417.466 1.314 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(C#N)ccn3)CC2)cc1 501744940 MJBJOGFYPMMKRG-UHFFFAOYSA-N 400.460 1.499 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 506452090 DADMTFGNBGRDAF-UHFFFAOYSA-N 401.444 1.366 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 508510709 RTARJEXNEQDZLG-IBGZPJMESA-N 415.523 1.141 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1 520152788 DHUFLAKFMYMIQC-IBGZPJMESA-N 401.426 1.819 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 546219857 MCAFKXXLQNYMIX-QFBILLFUSA-N 404.474 1.979 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](Cc3ccccc3)C(=O)N(C)C)CC2)o1 558987335 ZYBRHBDORADXSB-GOSISDBHSA-N 409.490 1.887 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Oc1ccc(Br)cc1 560843329 JEWHETJKWAPGHY-GWCFXTLKSA-N 422.239 1.210 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2cccc(F)c2)cn1 564521804 SHACZFIALQOKSN-UHFFFAOYSA-N 400.395 1.195 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCOCC2CCC2)cc1 567437615 XDZQPPYZMZYOSQ-UHFFFAOYSA-N 409.508 1.365 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 571457233 UBIQJTUEDXEERR-KSQNUWJUSA-N 420.509 1.767 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCc1ccc(C#N)cc1F)C2 588339540 DQOKFRQJLMOMMT-UHFFFAOYSA-N 402.451 1.873 30 10 HDEE N#Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 603926640 ZOVKMIFPZGDBFV-UHFFFAOYSA-N 417.443 1.302 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@H]1CCCO1 610929058 UTNOOVMNVYCUTM-LLVKDONJSA-N 409.920 1.053 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1cccc(C#CCCO)c1 703968413 FNKHVGTXSVDEKO-UHFFFAOYSA-N 412.467 1.136 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 704533522 HZMGERAWSIVSIB-INIZCTEOSA-N 402.358 1.631 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 728930892 JJULJLVKNCXMIL-KRWDZBQOSA-N 422.533 1.485 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 732756107 AUTJAGBSXBUKNR-QWHCGFSZSA-N 400.294 1.865 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCN1CCN(c2ccccc2)CC1 735844386 GQIKQEFRGUCCBP-QURGRASLSA-N 411.506 1.231 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)c1 750430959 UHSNZUKEVNHHPE-UHFFFAOYSA-N 401.444 1.533 30 10 HDEE C[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 752612532 CLOBFTZNFFHDEO-BFUOFWGJSA-N 407.492 1.392 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)CC1 753334088 IVIKPCPZVRCYGU-UHFFFAOYSA-N 409.531 1.063 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 758757855 HOLOHIWKOZZSSY-GOEBONIOSA-N 418.473 1.811 30 10 HDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760620781 OKJSMIUEFCGPEV-UHFFFAOYSA-N 424.479 1.007 30 10 HDEE N#Cc1ccc([C@H](O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 763227427 YREBPGAKTGCHMO-LJQANCHMSA-N 416.459 1.506 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)c1 764036631 XMRZDECDUFHXDV-UHFFFAOYSA-N 410.496 1.543 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 765723237 IDQZAZORRACGMM-APOCOGJHSA-N 418.494 1.762 30 10 HDEE COC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 767177971 UFOFARXWELSLOW-AWEZNQCLSA-N 415.471 1.315 30 10 HDEE CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 770566193 BRUHHEBGBJBDDX-DVSFIDLUSA-N 416.478 1.373 30 10 HDEE C#CCN(C(=O)N[C@H](CC)CS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774254278 JNOLSAWYJFVMDV-HZPDHXFCSA-N 412.533 1.071 30 10 HDEE C=CCOCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1cc(OC)ccc1OC 779753003 ATLDSYCPYHAWSV-INIZCTEOSA-N 407.492 1.974 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2sc(NC(=O)OC(C)(C)C)nc2C)CC1 782557191 UONLHPKSGCWZET-UHFFFAOYSA-N 423.539 1.859 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 790549208 LUTBGBYGLZVCIZ-QZTJIDSGSA-N 407.455 1.986 30 10 HDEE CN(C)CCCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCF)C1=O 797812227 JFQQFEUDRVLPOX-MRXNPFEDSA-N 405.499 1.917 30 10 HDEE CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c1 798745712 LDQCWQNQQQGLHW-UONOGXRCSA-N 412.450 1.763 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1cc(Cl)c(Br)s1)n1cnc(C#N)n1 798841431 IJARXXQAXSLGLA-RXMQYKEDSA-N 424.689 1.693 30 10 HDEE Cn1nccc1[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 799048174 YODQEUIVRMJZBU-INIZCTEOSA-N 401.492 1.603 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 805835905 WFKYWNAXHARGGH-QZTJIDSGSA-N 406.508 1.455 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)C1 914594995 PPBTXJUXMZYKEG-WMZOPIPTSA-N 403.479 1.342 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 918970813 ZVZXZGRRCNINHF-ZWKOTPCHSA-N 422.503 1.478 30 10 HDEE C#CCN(C(=O)Cc1noc2ccc(Br)cc12)[C@H]1CCS(=O)(=O)C1 1125953348 DDJNQRKLGDVMMK-LBPRGKRZSA-N 411.277 1.782 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H]3CC[C@H]2c2cnc(C(C)(C)C)nc2C3)C1=O 1131246742 PDQYLCWWTCAIKU-WFASDCNBSA-N 411.462 1.339 30 10 HDEE C=C(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1132934517 LZTHHMBYFQQRAA-HNNXBMFYSA-N 402.900 1.975 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(Cl)c2c(c1)OCCO2 1135170081 CWOVXXDOUBLMBI-UHFFFAOYSA-N 407.835 1.788 30 10 HDEE COC1(OC)CCOC[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1148246461 YIDRWQOQIBLFTG-INIZCTEOSA-N 424.295 1.651 30 10 HDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN1CCO 1155026710 NSJVUOMIOJYUAB-CLIJALBYSA-N 406.527 1.298 30 10 HDEE N#C[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1157964216 UHYMDYCNGBHLJQ-LSDHHAIUSA-N 405.455 1.356 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)CC1 1158083804 GPAQBVBPLJGEFD-DLBZAZTESA-N 410.536 1.815 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)OC)cc1 1167466351 VDMKVFVZYJYZKK-KRWDZBQOSA-N 418.471 1.371 30 10 HDEE C#CCCOc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 1182976537 KEPBSPABZRGQPM-UHFFFAOYSA-N 416.499 1.632 30 10 HDEE CCCCn1c(N)c(N(CC)C(=O)CSc2cccnc2C#N)c(O)nc1=O 1189337186 BPNAKIUCGMAKHG-UHFFFAOYSA-N 402.480 1.743 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1233854187 VOWOVMTUCFFLKN-NVXWUHKLSA-N 414.510 1.974 30 10 HDEE Cc1ccc(Br)c(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1251965451 AQFBXRINLLSBFM-UHFFFAOYSA-N 418.251 1.658 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cnc(Cl)cc2C#N)c1 1270943796 RQISIWMFTUQOAO-UHFFFAOYSA-N 423.882 1.438 30 10 HDEE C#CCCCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1286335552 QYUBICYYKHPENO-DYESRHJHSA-N 403.527 1.837 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnc2n1CCC2 1286359190 SRHYYAMARQRBKN-UHFFFAOYSA-N 404.478 1.803 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nnc(C)s1 1286366177 WTPDXYJWYULDJM-UHFFFAOYSA-N 416.532 1.821 30 10 HDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1286385378 XBZKWQCXGJMAES-ZDUSSCGKSA-N 424.324 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cc(C)oc1C 1286397811 CUKAYSONNDMETR-QFIPXVFZSA-N 409.490 1.704 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1286408332 CCBTXEQMEHTKSA-GOSISDBHSA-N 417.535 1.184 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N1CCN(CC)CC1 1286408693 JTLQHZCZXJLAAG-HXUWFJFHSA-N 405.550 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCN(C)C1 1286432587 PXBICXRLXSNGPV-DEOSSOPVSA-N 405.546 1.983 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2c(C)noc2C)CC1 1286480449 XBRCYBYGHWLMKX-WMLDXEAASA-N 411.510 1.393 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1286758188 GGWAZDMVILLQHX-KRWDZBQOSA-N 419.507 1.518 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1286788768 FWCQDTHHMXJLIA-UHFFFAOYSA-N 418.505 1.288 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ccccn2)CC1 1286790178 OJYRDRAGDNNDMJ-UHFFFAOYSA-N 423.546 1.954 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]1CS(=O)(=O)C2 1289435629 BTFLFZFGAFOFDR-LKFCYVNXSA-N 414.237 1.368 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 1290393537 ZBTHOGNNNLXQQR-KRWDZBQOSA-N 406.529 1.525 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 1295020336 RRSYAHJURONCKN-RTBURBONSA-N 423.510 1.621 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1295930188 TUEDZGUGWFLBCB-IRXDYDNUSA-N 419.478 1.794 30 10 HDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1297480778 ZYDBJYYSKGWVJQ-SFHVURJKSA-N 409.494 1.799 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1299313898 NUVRSEMUKRBBEI-UHFFFAOYSA-N 408.553 1.610 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1300310479 XVJSRLFLVCQNNK-RDJZCZTQSA-N 413.547 1.960 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300460037 ZJJFOEDEDLNACL-GOSISDBHSA-N 411.506 1.757 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(OC)CCCC2)CC1 1300682994 USQWFGUEZYGINQ-UHFFFAOYSA-N 423.521 1.640 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300957301 RUVGDACYGYPYIA-RXVVDRJESA-N 423.565 1.829 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1300971803 GEPARONLTCNTSZ-UONOGXRCSA-N 421.514 1.963 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1300989399 ASTUJBXFHPMWBE-YLJYHZDGSA-N 424.567 1.780 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301249716 XMNCRXSVVLJSQQ-LJQANCHMSA-N 418.523 1.343 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1301271639 YUTQBSWNAAWXIA-GHTZIAJQSA-N 406.575 1.578 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Cc3ccc(C)cc3)n2)CC1 1302924628 QAAFFUUSAGMCDX-UHFFFAOYSA-N 418.544 1.268 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[C@H](O)C2)cc1 1302991192 DJEGULRNSGLOJV-WMZOPIPTSA-N 415.519 1.603 30 10 HDEE CC[C@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1305581984 OIMQBZMRKNKZIG-STGLLQLASA-N 410.482 1.744 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCN(c2ncc(I)cn2)CC1 1307981873 DMVWTGRABTURAK-GFCCVEGCSA-N 402.236 1.321 30 10 HDEE N#C[C@@]12CN(C(=O)NCCCOCCOCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1312357868 PGWSWKIQIZWKBL-ICSRJNTNSA-N 421.519 1.190 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cc1 1312373479 BVNYURDMDCBWMK-YLJYHZDGSA-N 418.519 1.126 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1314529859 CWEURPJGGHMQOD-MRXNPFEDSA-N 405.480 1.117 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1 1314929452 XDYYXKSAUQMYTO-DYESRHJHSA-N 412.494 1.020 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(F)F)CCO1 1316538691 AERKLQAMWIFVGA-CZUORRHYSA-N 421.404 1.801 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 1321446776 SQULMCCQDGRIRI-UHFFFAOYSA-N 422.354 1.433 30 10 HDEE C=CCCC[C@@H]1NC(=O)N(Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1=O 1345173837 OUDYVQHBVMWHJC-KRWDZBQOSA-N 420.535 1.399 30 10 HDEE CNC(=O)Cn1nc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)cc1C 1358162187 QIBSBOIZXJDZSB-AWEZNQCLSA-N 406.487 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1358873382 IIZXPFXNSCBDAR-HZPDHXFCSA-N 401.515 1.826 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1358963096 BPNJKTAWXJFLBI-IBGZPJMESA-N 414.531 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1358968338 IEKVWUTYHXGGNE-UHFFFAOYSA-N 414.510 1.356 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccs2)CC1 1359028689 APHAAYRTPNSTSF-UHFFFAOYSA-N 400.552 1.822 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359227015 RAGORIKLSBMEPS-VQTJNVASSA-N 418.586 1.591 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359299402 DJNHHOZZYZTVQI-DLBZAZTESA-N 418.542 1.167 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@]1(OCC)CCOC1 1359305752 LUOFHTRMOPGDLO-SFHVURJKSA-N 413.469 1.714 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1440684116 MNVYTQKEXUDBAR-KANFNMMFSA-N 405.495 1.890 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1450324159 HFVFBYSOMMSXQC-KRWDZBQOSA-N 421.519 1.193 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)C2)C1 1452422825 UIFJTPJQEZWGKC-ZKEMRMIHSA-N 418.494 1.873 30 10 HDEE C#CCC1(NCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CCOCC1 1460803204 UIZLBQBXCYDSFY-UHFFFAOYSA-N 404.536 1.969 30 10 HDEE CCc1[nH]nc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464042141 YWEDSOTVPPTLCJ-UHFFFAOYSA-N 407.883 1.644 30 10 HDEE C#CCN(CC(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C(=O)OC(C)(C)C 1464590427 ZQFFNMQFBYTRCM-UHFFFAOYSA-N 416.478 1.965 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(OC)n4)CC3)n[nH]2)c1C 1464637828 OKVSBSDBCGQOCC-UHFFFAOYSA-N 422.493 1.837 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-n4ccnc4O)cc3)C2=O)cc1 1467705369 BWDRAHZWURHXFW-LJQANCHMSA-N 401.426 1.980 30 10 HDEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1468126773 YHFPNJCEYGYXQT-AWEZNQCLSA-N 422.425 1.998 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1NC(=O)C[C@@]12CCCC[C@H]2C 1470108958 VTRZHSYJAIFKFZ-BIENJYKASA-N 404.492 1.437 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(c4nc(C)cc(O)n4)CC3)cc2C1=O 1472023287 BMPJHZYLIJZCMX-UHFFFAOYSA-N 421.457 1.671 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1C(F)(F)F 1475375331 FWEOLUGAYATYMI-UONOGXRCSA-N 424.422 1.154 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 1477455183 ZLQFPLDBFOCQQH-HXUWFJFHSA-N 413.566 1.604 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCC(=O)NC2CC2)n1 1492742755 HGNXNTLHZRNCBW-UHFFFAOYSA-N 410.526 1.939 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1494528860 CJGGHKLDYVXOMS-BRSBDYLESA-N 404.515 1.010 30 10 HDEE CCO[C@@]1(c2nnc(N3CCNC(=O)[C@@H]3CC)n2Cc2ccc(C#N)o2)CCOC1 1502729162 LRGPCJVQGXGQBT-JXFKEZNVSA-N 414.466 1.158 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC[C@H]1C 1504521027 TZVGNOMBKPFCLG-CRAIPNDOSA-N 412.494 1.678 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1504599604 RSRGZUACXBYLQJ-CVEARBPZSA-N 407.471 1.425 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1505044217 RWECTZOBZYOVOL-GOSISDBHSA-N 413.478 1.869 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507628164 VFJOBFWRNIJRLO-YZLZLFLDSA-N 422.551 1.526 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1507634508 NWEUKKVVTXAXON-INIZCTEOSA-N 423.583 1.408 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)cc2)CC1 1507723921 ZGSLESTYMIJTAX-HXUWFJFHSA-N 422.533 1.822 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1507739963 WFZNVUYMEDXCSM-QRVBRYPASA-N 415.538 1.563 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1507844595 MBHUBWIQEBRNKX-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507965978 TWLPHHVZTVXKIJ-INIZCTEOSA-N 418.523 1.867 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1508058350 YPMFARGDLMGQHV-UHFFFAOYSA-N 422.511 1.052 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1508090064 LLPDFWABAJZHJL-UHFFFAOYSA-N 422.489 1.580 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1508531210 CRZJTKHKUHTPCA-HNNXBMFYSA-N 418.523 1.283 30 10 HDEE CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@@H](C)O2 1522349239 NTKUCFQSSYIAIT-KKEPMVJESA-N 400.519 1.678 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)CC1 1524010286 FIHCPMHCCLNTDC-MRXNPFEDSA-N 421.538 1.684 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1 1525599385 MABUUYKDDKRIJU-KHYOSLBOSA-N 408.524 1.058 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OC)[C@@H]3CCC[C@H](OC)C3)cc2C1=O 1527232767 IVEFZMXWGGUMHB-XUWXXGDYSA-N 414.458 1.945 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc4c(c3)NC(=O)C4)C2=O)cc1 1537508501 NXXDIDJTFAPVGR-MRXNPFEDSA-N 403.398 1.897 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)O1 1538284235 IVEHXJMGPYKGSU-ZCLUNYJNSA-N 417.481 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(N)=O)c1 1539237266 BSNWUCVNPGHDAW-JOCHJYFZSA-N 407.474 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@H]2CCOC2)CC1 1539480904 GGBUGLNJLHQQOO-HKUYNNGSSA-N 415.538 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1 1539632093 OYMGMSFHPDGYFJ-OTWHNJEPSA-N 403.527 1.822 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@@H](C)C1 1540873418 XDIWISOARPESEY-HNNXBMFYSA-N 411.535 1.761 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccc(OC)cc1 1542104352 WYWVWXMMASEKGA-QGZVFWFLSA-N 403.479 1.848 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2F)CC1 1542894707 IWVLLVQQNNBYJL-UHFFFAOYSA-N 410.287 1.414 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 1545036075 VBXINLMYJUBNNO-KBMXLJTQSA-N 403.483 1.337 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1nncn1C 1545533187 FKQPFEJXDXNXMS-HNNXBMFYSA-N 406.498 1.562 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1556096315 YLNXCRSRQVQRLU-UHFFFAOYSA-N 406.508 1.417 30 10 HDEE CN(C)Cc1csc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1556934057 UXCWXFVXQBOBFD-OAHLLOKOSA-N 412.475 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1557496178 CVSGRKFNBFRIPA-BQASMSSTSA-N 418.494 1.951 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)CCOC1 1557561391 YJWWUOVTAYPLMF-QFIPXVFZSA-N 415.490 1.584 30 10 HDEE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC#C[C@H]1CCCCO1 1558750581 HDTCLDXDEDMCLN-GFCCVEGCSA-N 405.303 1.960 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1559032757 HLKFPOLIPHAELF-INIZCTEOSA-N 417.462 1.164 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2Oc2ccccc2)CC1 1562179846 IBENEQRBWJYKAV-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 1564651516 ICIGOEJISUKZAJ-MRXNPFEDSA-N 400.888 1.068 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@H]2c2ccccc2)CC1 1564827840 REQLYJJQZBTKQT-RTBURBONSA-N 404.536 1.365 30 10 HDEE CN1CCn2ncc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2S1(=O)=O 1568585324 MBUOCVBSZLEZSA-UHFFFAOYSA-N 415.475 1.072 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 1568701358 MYTREZGOLSVIOR-SFHVURJKSA-N 418.538 1.060 30 10 HDEE N#CCNC(=O)CN1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1570553346 MBRWAEDKGLTLTC-SIFVSHMBSA-N 400.523 1.000 30 10 HDEE N#Cc1nc(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)[nH]c1C#N 1570860970 IEOIACOXCIGDQF-UHFFFAOYSA-N 408.237 1.718 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1587894591 XPBYCUHMVCBPRK-FGSXEWAUSA-N 415.538 1.980 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1587931753 CTDRTKVNTVVBAG-UHFFFAOYSA-N 403.508 1.334 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1ccccc1 1588171044 SDYJNHVMTDYHDF-GREBRCKQSA-N 408.502 1.983 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N(C)C)CC1 1588877004 QWYBLQLBSFTLKZ-IPMKNSEASA-N 402.587 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cnn(C)c2C)CC1 1588913257 DXVDJNBCEHAWLJ-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1594497799 MJKLTIVBXZPHQP-SJORKVTESA-N 423.583 1.303 30 10 HDEE C=CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1594660595 LPGPMMWHFXRGRU-WIYYLYMNSA-N 405.543 1.807 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1594807593 TWZMGPCWVOXCSU-GOSISDBHSA-N 413.526 1.486 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(OC)c(O)c1 1595466663 LAZBIJQIQKGNIX-UHFFFAOYSA-N 416.482 1.069 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1595490159 NYOQKJQOYDWJFK-UHFFFAOYSA-N 400.458 1.380 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](C)C1 1595821493 BYIPTZTXWVCAJR-CVEARBPZSA-N 409.556 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595822707 JEUNTUJXCBUYNB-HOTGVXAUSA-N 424.523 1.726 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C1CC1 1597504811 PUBXXVJYWRXSBW-LSDHHAIUSA-N 404.471 1.650 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2c[nH]c(C#N)c2)CC1 1608226546 RLRNMJNOGVCCIJ-INIZCTEOSA-N 401.467 1.570 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1615039455 SLPYLUZGWHCAHR-UHFFFAOYSA-N 421.339 1.922 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc4scnc4c3s2)C1=O 1618302802 RUTRWMOPHLYFMX-UHFFFAOYSA-N 401.429 1.821 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)ccn1 1619362874 UQVNHVFIIZKOJW-QLVMHMETSA-N 401.511 1.727 30 10 HDEE CO[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1619530054 DANQBKVAATXQJH-OZNQOIHVSA-N 414.510 1.618 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1619676649 BVNJXFCYVSPESY-GOSISDBHSA-N 424.461 1.851 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1620026284 XASYGGBRXVLLHH-BRWVUGGUSA-N 421.498 1.274 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cc3ccccc3o2)nnc1N1CCC(C#N)CC1 1620176327 BCMYHORBVQZJAL-UHFFFAOYSA-N 414.491 1.980 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O 1622605850 SOHSILFAZIAPQP-UHFFFAOYSA-N 418.968 1.603 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)n1 1623494623 OIWXWNAMEZCTLN-IBGZPJMESA-N 413.453 1.998 30 10 HDEE CCO[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1 1624144553 UVTJFBDCXWJPRE-WMLDXEAASA-N 400.435 1.896 30 10 HDEE C#CC[C@@H](NC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626188364 XACSVZQDEBILOA-VFNWGFHPSA-N 408.495 1.600 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)COc2cccc(OCC(C)C)c2)CC1 1627014760 DDOUNRIZCZBMDQ-UHFFFAOYSA-N 401.507 1.384 30 10 HDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1627356546 ALRGWZOQYCHJQJ-SFHVURJKSA-N 406.504 1.588 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[C@H]3NS(C)(=O)=O)n[nH]2)c1C 1630585546 PSBNGTXCDOXZGG-LSDHHAIUSA-N 420.539 1.524 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](CC(C)C)NCC(F)(F)F)CC2)c1C#N 1634181997 XCWWEZNSOFYVGK-HNNXBMFYSA-N 400.449 1.815 30 10 HDEE N#CCc1ccsc1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1634229972 WAAOAGOHPNVARG-UHFFFAOYSA-N 404.536 1.505 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1C#N 1634789519 BDPDLOKTSLKANC-IINYFYTJSA-N 400.298 1.768 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(C)(=O)=O)ncc2Cl)n1 1635721171 GHZXXYJXODVZMB-UHFFFAOYSA-N 410.883 1.257 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)C1=O 1636119784 KYFYXIVTEJULMQ-HNNXBMFYSA-N 418.519 1.314 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H](C#N)CO)CCN(Cc2ccccc2)CC1 1636605023 JOBUZHRMDKGPDQ-GOSISDBHSA-N 416.522 1.937 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1636902491 JQPVRFRPBKRXHJ-BETUJISGSA-N 414.886 1.935 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1640863715 LQMQUJOZUALZNH-KGLIPLIRSA-N 400.522 1.915 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)c2ccc(OC)cc2)cc1 1642357551 UYFULWLXJCTJIA-KRWDZBQOSA-N 402.472 1.113 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2[nH]nc(OC)c2Br)cc1 1643178893 WONOHZVPTNZUCH-UHFFFAOYSA-N 413.253 1.345 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1643490157 ALYQXUXXZVFSSF-HNNXBMFYSA-N 418.519 1.581 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)CC1 1644429132 PXELOXDYHMFUNT-UHFFFAOYSA-N 415.515 1.712 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 1647760915 IMPZSNLZYXUWFT-QGZVFWFLSA-N 419.522 1.200 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCC2(C#N)CCOCC2)C1=O 1647903925 GCBXWGPVRJVPMN-FQEVSTJZSA-N 414.462 1.207 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)c(F)cc3N)C[C@H]1CS(=O)(=O)C2 1648155853 PHFKFOPRIGMRSH-RMLUDKJBSA-N 402.245 1.181 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1=O 1648719445 NLLRIXGZDZQXCN-YYDVJCTNSA-N 409.534 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1649538056 LTYCIWWJVLUWTC-KXBFYZLASA-N 410.540 1.213 30 10 HDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1655051751 JTLOPLHKLPYZFK-QWHCGFSZSA-N 405.398 1.400 30 10 HDEE CN(CCN1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1)Cc1ccccc1 1657261203 CYCHGRSNFYTUNA-JOCHJYFZSA-N 400.567 1.807 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1657468228 HFAAPCLXBLTIEP-UHFFFAOYSA-N 404.282 1.435 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)CC1 1658814036 FRTRDOWHWOMCDY-UHFFFAOYSA-N 420.413 1.245 30 10 HDEE C#CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCCO2)CC(=O)OC(C)(C)C 1659322563 USXHXIHKQJRYMD-UHFFFAOYSA-N 417.462 1.773 30 10 HDEE C#C[C@](C)(CC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1672504947 AEXLNAXMHHIUDZ-WMLDXEAASA-N 413.521 1.075 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 1679943979 FMKBWRIAIXQJGA-WCVJEAGWSA-N 418.498 1.698 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 1680829366 GCFHEBCECPGGQO-GZMOKQHVSA-N 416.547 1.477 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1682697284 DOCANFUYXUSEAK-MSOLQXFVSA-N 403.479 1.905 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)C1 1685176799 CXSVEMPFCDMDMZ-ZCNNSNEGSA-N 403.571 1.106 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(-n3ccc(C(=O)OCC)n3)c2)C1 1687593154 JOJHADZHPDGZSY-GOSISDBHSA-N 409.490 1.946 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1689960949 FOVWALNIYQALGJ-UHFFFAOYSA-N 400.483 1.186 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1689962280 BIESKLNKAKGBSI-LLVKDONJSA-N 408.388 1.220 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1690042776 BURDYWCXWSGJOV-FQEVSTJZSA-N 422.581 1.415 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1690076905 DJKXBDLUEYBQAX-FXAWDEMLSA-N 411.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCCSC)CC1 1690113718 RTEOQYAECVDXFL-HXUWFJFHSA-N 407.584 1.829 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1690167093 BTIYEZJLVASXFW-UHFFFAOYSA-N 417.510 1.746 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C(C)C 1690187960 BJIYXXLWUNBYHP-OAQYLSRUSA-N 400.527 1.669 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1690263654 GMULSKYQZPLEAD-QGZVFWFLSA-N 403.575 1.658 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1690549878 LQSFRTQYZLTPOO-FQEVSTJZSA-N 414.535 1.903 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCCCC1 1690674680 AVYAPXDYLQTSKK-UHFFFAOYSA-N 402.524 1.952 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@H]1C 1692538184 UXPOGWPBNNIZAG-WBVHZDCISA-N 408.510 1.666 30 10 HDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1693382360 SFMWHNHYVRJUBV-WBVHZDCISA-N 419.555 1.761 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1698486967 XIUCZRFDAVCFMN-YOEHRIQHSA-N 409.512 1.807 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)C1CC1 1705516948 LUJOIQCEGQBHHX-QGZVFWFLSA-N 407.540 1.569 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705539521 SZOHXVJERXZYIO-RXVVDRJESA-N 405.543 1.501 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705565148 SPHKBLWUFNZBSF-MRXNPFEDSA-N 405.524 1.073 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCN(C)C1 1705602215 MIVIHNCTMMDUHL-XMMPIXPASA-N 421.545 1.949 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705651736 GSPFMBMRFXXICL-OAHLLOKOSA-N 420.539 1.204 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705902632 ITUHJEWHUYBTCM-HNNXBMFYSA-N 415.498 1.334 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1705969733 DHHIPOGGUSRYSF-IBGZPJMESA-N 408.510 1.438 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1722290001 BUGJQSBEUQQXLT-ZDUSSCGKSA-N 406.446 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722292095 HJJYXDPRANFIJB-IAGOWNOFSA-N 418.505 1.861 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722330887 ZGJJXOVLAXFXHC-MRXNPFEDSA-N 419.493 1.546 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)nc1 1722386786 KPWRXADECGNREZ-UHFFFAOYSA-N 416.489 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1722413731 QRTHRFKWTZJTAB-XLAORIBOSA-N 421.567 1.507 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2nnc(C)s2)CC1 1722443948 CYVZDQKNKJXSJB-CYBMUJFWSA-N 401.540 1.966 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCCC2)CC1 1722448741 GOJBJTPONYOYGA-UHFFFAOYSA-N 422.533 1.535 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722454064 IHSFUOWQFSQAFH-IYBDPMFKSA-N 401.448 1.781 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722534420 MRFZAIQBLBSQPA-OXJNMPFZSA-N 400.483 1.712 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1722565641 AXDKJCYBNBCYBG-HNNXBMFYSA-N 400.570 1.452 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722615529 SHSBHQZABBEFOH-SFHVURJKSA-N 423.521 1.621 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1722631048 AZJIHYPUKGZUED-LBPRGKRZSA-N 407.500 1.049 30 10 HDEE C=CCOc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)cc1 1722702605 MVGFFZULKHKUOZ-HNNXBMFYSA-N 421.523 1.338 30 10 HDEE CCCNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1728183776 ICHJLZSKZHDWEN-UHFFFAOYSA-N 423.521 1.938 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)CCO1 1731187734 XFFHLINQPHNBNO-LSDHHAIUSA-N 414.491 1.343 30 10 HDEE C#CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@@H]3C2)CCOCC1 1740041644 JCRFMNOKKZGOEP-IVDHNXQLSA-N 400.519 1.681 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740590339 GXNBNPGCEKHVQU-DLBZAZTESA-N 411.510 1.593 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740594045 ZLRJBNIAWDFXJP-INIZCTEOSA-N 414.535 1.799 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1740599476 BJJNYKBGLMGOLK-OAHLLOKOSA-N 419.551 1.944 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1740622760 IGQWERKDYKWKSK-QGZVFWFLSA-N 402.524 1.459 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740628681 ZNTJBSBHYPXIKH-BRWVUGGUSA-N 406.508 1.101 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(C)c1 1740673981 OYHGRHRRLLBQSM-UHFFFAOYSA-N 408.506 1.598 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccccc1 1740678896 VGSBQGYIBLVWSD-QFIPXVFZSA-N 411.506 1.508 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)C 1740682794 JOCCBRCUSYXELI-UHFFFAOYSA-N 413.478 1.532 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1740786161 RVQQBXJVSOTTOO-HNAYVOBHSA-N 404.471 1.776 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740944663 VARKACFCYYRSDR-IBGZPJMESA-N 417.491 1.566 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)C1 1740970163 FXOAQXPASYAHTG-INIZCTEOSA-N 407.515 1.129 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)cs1 1742559415 IUPSSGGLYGSWLF-ZDUSSCGKSA-N 423.568 1.265 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1748716552 YEGOKFDUZVKUTR-LJQANCHMSA-N 420.521 1.984 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1748824695 IABGGJVQKVLBBU-GDLZYMKVSA-N 411.531 1.416 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCC1 1748847330 SDOSZQKSAMNKBQ-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1748848507 HCKZIUJLSXAOSK-NRFANRHFSA-N 406.534 1.694 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1748905261 AUWCQHSWTIQYKK-QGZVFWFLSA-N 410.588 1.470 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2cn[nH]c2)CC1 1748999327 PXSMTXMXHBBLFB-UHFFFAOYSA-N 405.506 1.887 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCS2(=O)=O)CC1 1749341753 NYTORWYKAVUBCC-CVEARBPZSA-N 407.540 1.599 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1749426404 BGKBGCBHEWFBQM-INIZCTEOSA-N 422.555 1.707 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749634819 KHHZIQNJHFAVPO-AWEZNQCLSA-N 410.569 1.585 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749650779 HEUDZLDEYFDWJA-IAGOWNOFSA-N 417.558 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C(=O)NC 1749658179 HNLVNXOLOKOUKH-AWEZNQCLSA-N 410.478 1.812 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(n3cc([N+](=O)[O-])cn3)CC2)nnc1C(C)(C)C 1749682037 NHSZHTPJZHXXSC-UHFFFAOYSA-N 416.486 1.824 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCC(O)CC1 1750118294 PMFDWPFZVOLJFN-LNLFQRSKSA-N 420.558 1.445 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1751089802 PJSJJFQGSIDQIP-JXXFODFXSA-N 402.499 1.591 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1760098419 SEZHJMNYTXZLOD-HUUCEWRRSA-N 417.535 1.524 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1760105949 WARPDLLYNOANRH-MRXNPFEDSA-N 421.509 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1760117684 SAFIALNGIWHSAK-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1760123124 YLORTFZUEORILB-QZTJIDSGSA-N 408.506 1.907 30 10 HDEE C#CCCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760159679 MNMIUOAIVMONMM-LAUBAEHRSA-N 403.527 1.789 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1760179009 JEJAZPUVOPJNBX-QLFBSQMISA-N 402.499 1.254 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCNC(C)=O)CC1 1760262353 MRUPFIJRHLQTRE-UHFFFAOYSA-N 410.522 1.159 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760282144 WOEIUAVFKYGVHJ-GOSISDBHSA-N 423.546 1.742 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760460882 GBJLRADVTKQVGB-HXUWFJFHSA-N 412.519 1.682 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCCS(C)(=O)=O)C1 1760545983 GBYQRFGXHOYZRG-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(-n3cncn3)nc2)C1 1760547745 QOIPRSIWUAHVCY-KRWDZBQOSA-N 410.482 1.620 30 10 HDEE CC(C)(O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1760817074 FJNUUXDGJGAULD-ZDUSSCGKSA-N 409.450 1.484 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1766250286 VUJNSTAVWGMRBF-NRFANRHFSA-N 423.477 1.374 30 10 HDEE CN(CC1CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1767207614 DMBDBCQKMMJZNZ-ZPHPHTNESA-N 408.466 1.498 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1767482090 GTCBCZJYYHNLFC-RXVVDRJESA-N 418.542 1.535 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)n2)c1 1770346161 AJOSUPHQWBWOFN-GOSISDBHSA-N 408.466 1.444 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCOCC1 1770412092 CQFYHIKPNPSHRZ-INIZCTEOSA-N 413.478 1.614 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)CCO1 1770746187 ABXLAUPRXJODRE-LBPRGKRZSA-N 402.377 1.169 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1771211838 JCJWEXUJJMQBST-CQSZACIVSA-N 418.454 1.403 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1771345079 AOBFNOSPDQONNR-GOSISDBHSA-N 417.535 1.993 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1771537838 WGAHVFFPNFPODS-RBUKOAKNSA-N 424.505 1.260 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(Cn3c(C)nc4ccccc4c3=O)CC2)CC1=O 1849325128 SYJAQUOTTHQWDR-GOSISDBHSA-N 408.502 1.978 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCc3cncc(I)c32)CC1=O 1849332246 DUFUVUVQLDHBJW-GFCCVEGCSA-N 411.243 2.000 30 10 HDEE Cc1nc(N(C)C)cc(N2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)n1 1851159326 YVGKWPAARWPBNX-UHFFFAOYSA-N 408.462 1.343 30 10 HDEE CC(C)[C@@H](C(=O)Nc1ncc(C#N)cc1Br)N1CCS(=O)(=O)CC1 1851714638 FKOHOXGYYPTZJD-ZDUSSCGKSA-N 415.313 1.409 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3Cc4ccccc4C(=O)O3)CC2)nc1 1852608128 ZKEVCRMOBIVYOV-IBGZPJMESA-N 406.442 1.400 30 10 HDEE Cn1c(=O)ccn(C2CCN(C(=O)c3nccc(-c4ccccc4)c3C#N)CC2)c1=O 1852780697 UHDIQKDIFCCOGP-UHFFFAOYSA-N 415.453 1.958 30 10 HDEE C[C@H]1CC(=NC(=O)c2ccc(N3CCOCC3)nn2)NN1c1ccc(Cl)cn1 1852793025 VHBHDQGPBRQVDW-LBPRGKRZSA-N 401.858 1.704 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)c2nccnc2N2CCOCC2)c1C#N 1853315187 ZOWPANDVSAJHRX-UHFFFAOYSA-N 403.446 1.990 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@H]4CCCCO4)C(=O)C3)C2)cc1 1854166938 BDMHJQIGXJYTNI-LEWJYISDSA-N 410.518 1.763 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2ccc(SC)cc2)C1=O 1854219014 LCYGYQWMNFWYAL-ROUUACIJSA-N 401.532 1.797 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(c4nc(C(C)C)no4)C3)CC2=O)CC1=O 1854316848 DBTGRBPAWSZXKE-HUUCEWRRSA-N 415.494 1.002 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)C1=O 1854886900 HEUWJESKFCCDHB-MRXNPFEDSA-N 409.895 1.619 30 10 HDEE C[C@H]1CN(CCCc2cnc3ncnn3c2)c2ccccc2N(C(=O)CC#N)C1=O 1855206058 HBIGWHBSKIFIEV-HNNXBMFYSA-N 403.446 1.986 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855226863 VXAYFZSIXRIAAJ-JKSUJKDBSA-N 402.520 1.465 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H](F)CC3CCC3)C2)CC1 1855840414 XAASPKHCHIRZHC-PKOBYXMFSA-N 413.497 1.979 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(Cc3ccc(OC)cc3)C3CC3)C2=O)CC1=O 1856073059 PJANHNVDDJHYOL-FXAWDEMLSA-N 411.502 1.822 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C(=O)[C@H]1C 1856262141 HMXZVRAYCIWOOS-IAGOWNOFSA-N 407.474 1.657 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1COCCO1 1857019462 QBRBIWYGAQBGJC-CRAIPNDOSA-N 420.487 1.247 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3ccnc(Cl)c3)C2=O)CC1 1857071104 BYIOWKYZWMFGNL-MRXNPFEDSA-N 410.865 1.565 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1857206727 GXYQOOWXYIQUEC-NVXWUHKLSA-N 411.506 1.682 30 10 HDEE N#Cc1cccc(C(=O)Nc2ccc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]c2)c1 1858420502 XOVWVIPNMFMGKB-UHFFFAOYSA-N 421.482 1.929 30 10 HDEE O=C(O)[C@@H](CS)NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1859455766 GKSSUDQFSRDZDH-OAHLLOKOSA-N 420.468 1.144 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 1861615722 CYFHUMCNWYGNSA-OTWHNJEPSA-N 413.518 1.428 30 10 HDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CC)CCc1ccncc1 1869930072 SMXQOJPFTRNLGZ-KRWDZBQOSA-N 400.504 1.990 30 10 HDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(CC)CC1 1870497501 LRKDTNCWLFLNLC-UHFFFAOYSA-N 416.566 1.953 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCN(C)C 1870518005 DOUZJZBOPLEUPC-UHFFFAOYSA-N 404.555 1.879 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520732 MFLBTPUCOLNQEX-UHFFFAOYSA-N 412.498 1.909 30 10 HDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(C(=O)OCC)CC2)nc1C 1872797181 BZCKGIUXEGTBNE-CYBMUJFWSA-N 408.480 1.579 30 10 HDEE C=CCN1C(=O)C(NCCN2CCOCC2)=C(c2ccccc2Br)C1=O 1873072963 LHWOAILXFOLJKV-UHFFFAOYSA-N 420.307 1.637 30 10 HDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562294 WFWXWHZCCSZKLR-UHFFFAOYSA-N 400.527 1.602 30 10 HDEE COc1cc(/C=N/n2c(C)nnc2SCCO)ccc1OCCN1CCOCC1 1874533895 HFRFPQHVDHZUAL-XSFVSMFZSA-N 421.523 1.273 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)cs1 1882712403 BDUDQIODTUJYKO-LBPRGKRZSA-N 403.526 1.988 30 10 HDEE N#Cc1cncc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882836930 VBPZLMOEFQXXHA-KRWDZBQOSA-N 417.443 1.638 30 10 HDEE C=CCN(CCC(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885928131 JCAYCCCRGFXLSV-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1894484646 DDIHJPRTOAITSS-KRWDZBQOSA-N 406.504 1.683 30 10 HDEE Cn1cc(Br)c(S(=O)(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)n1 2058146546 RZDOEOWURGUXJB-UHFFFAOYSA-N 420.138 1.895 30 10 HDEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2062444634 UUGQHIHBZMNBAO-NWDGAFQWSA-N 415.288 1.584 30 10 HDEE N#Cc1c(Br)cccc1N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2118194114 IPTGOJGCINYASM-DTWKUNHWSA-N 419.201 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)c2ccc(C#N)s2)CC1 2174789111 MOUBSINNRXPCGB-TZMCWYRMSA-N 415.537 1.906 30 10 HDEE C=CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C 2181119219 GIEMQACALZHOMQ-UHFFFAOYSA-N 417.553 1.867 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386454 AOBDIRMUAKUVPK-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386576 CTIXYZXBUIILMM-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244547902 HLOXZZATGSCPDJ-CQSZACIVSA-N 410.320 1.792 30 10 HDEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247824311 WXPNFBCZGCPTCM-UHFFFAOYSA-N 420.319 1.742 30 10 HDEE CCn1cc(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247838925 PGCREYZAVMNGBW-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NC[C@@H]2CCN2Cc2ccccc2)OC1(C)C 2248061493 QMRMPEZWYPOBMQ-KRWDZBQOSA-N 408.311 1.780 30 10 HDEE C#C[C@H](CC(C)C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258150580 CVPDCTWFACMLNB-SJORKVTESA-N 410.492 1.422 30 10 HDEE COC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355869 WFYXKHJPUBOAFG-MRVPVSSYSA-N 409.722 1.541 30 10 HDEE C[C@@H]1[C@@H](N)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355944 IZPAVDFTDLQJJR-KOLCDFICSA-N 406.766 1.811 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)Cc1csc(C#N)n1 2271174201 BYMOPWNDKUMHIG-NSHDSACASA-N 403.482 1.686 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281999857 HIXRLAWMNSKDMI-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE C[C@H]1CNCC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282340899 LGETXXLGPSNGLN-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@@H](CO)C2)OC1(C)C 2282340951 LRXWTBWYCXMNGT-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341476 SOEUCWANZALFHZ-ZJWNCGCPSA-N 401.359 1.421 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CC[C@H](C4OCCO4)C3)cc2)OC1(C)C 2282415447 HWBQHPAMWXAACP-INIZCTEOSA-N 423.340 1.510 30 10 HDEE CCN(C[C@@H]1CCCN1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282421429 NRGZJELCOIDXDY-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2282492150 PTMDDNUQJYONKK-VWLOTQADSA-N 419.399 1.579 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@H](N)C2)OC1(C)C 2282493332 SWSMOJDTTDLPSQ-HAQNSBGRSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@@H](N)C3)ccc2Cl)OC1(C)C 2282496681 FZFGMQFAEOULLI-GFCCVEGCSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@H](CO)C2)OC1(C)C 2282504787 UOQIVVKEWFOPBR-RYUDHWBXSA-N 402.347 1.023 30 10 HDEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)S1(=O)=O 2282520570 RLNGSDMWRFHAKF-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282522661 NKBLFZQBWPPCRY-NSHDSACASA-N 402.347 1.384 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282657651 ZJNUPICETQGZCS-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@](C)(O)C1 2282831066 DUQJAHPQBMDWTH-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)[C@H](CN)C1 2282834171 QECGFAONYRNVER-WCQYABFASA-N 400.375 1.571 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)C[C@@H](C)N)sc1B1OC(C)(C)C(C)(C)O1 2282839131 ZEIHMFHKEOEBJR-SSINHNECSA-N 422.403 1.489 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282843186 JNXFYBVOMJSONN-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282849860 HRXLSUQAAQDCNJ-ZDUSSCGKSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(O)(C(F)(F)F)C2)OC1(C)C 2282867166 UYIHRYFGQDSCRN-UHFFFAOYSA-N 413.248 1.345 30 10 HDEE CCN([C@@H]1CCCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883081 VQQHGTGEUBIDLW-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)[C@H]1C(=O)O 2284394478 YRHAASSJFCPLSD-ZANVPECISA-N 401.315 1.449 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3C[C@H](CC(=O)O)C3)c2)OC1(C)C 2284400318 VFPDLHNDBHDWKJ-UMSPYCQHSA-N 401.315 1.579 30 10 HDEE CCC(CC)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405522 LUICKVCFZUDAEG-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE CN(C1CC(C(=O)O)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284412267 TXOVNBQJEMPWQC-UHFFFAOYSA-N 401.315 1.531 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C2C[C@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)C1=O 2296287808 HVBBUFILXKLVGJ-CQSZACIVSA-N 414.418 1.020 30 10 HDEE CCOc1c(OC)cc(C=NNC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 2323044274 BHSOOFYFHTZQHD-UHFFFAOYSA-N 411.484 1.132 30 10 HDEE CN[C@@H](C#CC1(OC)CCOCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2338488049 SGMXEXZZFUXDQJ-SIKLNZKXSA-N 402.491 1.547 30 10 HDEE CN[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361409010 FAORVCPUJNNCDY-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](C[C@@H]1CCCO1)NC(=O)OC(C)(C)C 2365201550 ACEQWZOSMUPYCW-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C1CCOCC1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365203827 KWYCRHLXVZCCHS-JKSUJKDBSA-N 402.557 1.708 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2365212194 PLEJDZQQPMQXAF-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245228 XZFGIRCIPQXWGG-SCLBCKFNSA-N 403.497 1.682 30 10 HDEE COCCn1cc(C#C[C@H](NN)c2cc(I)sn2)cn1 2366026044 XYMMYRJVDWHCAM-JTQLQIEISA-N 403.249 1.147 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCOC)NC(=O)OC(C)(C)C 2367798013 PFGAGEYBKSUEGI-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2367801263 QGPIURXYPXGENP-JYJNAYRXSA-N 400.541 1.617 30 10 HDEE N[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@H](O)c1ncc(Br)cc1Br 2368319212 PFWHLGMECQCBKB-GZNBLNABSA-N 402.086 1.863 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cc3c(cc2Br)OCCO3)CC1 23265141 FUKMRFCXFJMHJI-UHFFFAOYSA-N 410.312 1.640 30 10 HDEE N#CCOc1ccc([C@@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 108321718 QKKRJWAYYXLSND-KRWDZBQOSA-N 403.398 1.712 30 10 HDEE C#CCN(Cc1nc(N)nc(Nc2ccccc2CC)n1)[C@H]1CCS(=O)(=O)C1 111191228 WXLRRKGZJWSHFV-HNNXBMFYSA-N 400.508 1.382 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 409478446 RPOWIMDIXDTYMC-IRXDYDNUSA-N 402.467 1.406 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)c1 427994505 HNWDZNVAXPDEBT-UHFFFAOYSA-N 409.445 1.146 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)c1 434182735 XTMPOBHRYDEEIR-AWEZNQCLSA-N 422.445 1.977 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC[C@]3(C2)NC(=O)NC3=O)sc2c1CCCCC2 434788460 UOAYDTLWRXFLRP-HXUWFJFHSA-N 415.519 1.891 30 10 HDEE N#Cc1ccccc1-c1ccc(CNC(=O)NCCOCCS(N)(=O)=O)cc1 436520039 ZRZFCZJQFYZOEE-UHFFFAOYSA-N 402.476 1.330 30 10 HDEE C[C@H](Cc1ccc(Br)cc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 444502447 OWDMGWQFCQTXLP-GFCCVEGCSA-N 404.268 2.245 30 10 HDEE N#Cc1ccc(OCCNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 460273433 IVMLJYOMHOIFTE-UHFFFAOYSA-N 404.426 1.125 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cnn(-c3ncccc3C#N)c2)no1 461302524 SYYVQZLJKMBNRU-GFCCVEGCSA-N 411.447 2.134 30 10 HDEE COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)n1 470404887 SIQUDAFMQULLOD-UHFFFAOYSA-N 415.475 1.809 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1ccc(F)cc1F 481749576 LYUDKXGGVMMHSB-GFCCVEGCSA-N 409.414 1.698 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 484886488 ZJXMUQZPBUACCZ-UHFFFAOYSA-N 412.534 1.965 30 10 HDEE C=CCN1CC[C@H](N2CCN([C@H]3CCN(CC=C)C3=O)C3(CCCCC3)C2)C1=O 499551632 GPORRLYPOJEHQQ-PMACEKPBSA-N 400.567 1.881 30 10 HDEE C[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1(S(C)(=O)=O)CC1 502681392 SSEMMFWUXOJWAI-JEYLPNPQSA-N 406.508 1.908 30 10 HDEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505003458 UIKHKIVLXOZHAG-UHFFFAOYSA-N 404.492 1.560 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(OC)cc(OC)c1 508936697 SVODUSLGTNVLGR-ZDUSSCGKSA-N 409.512 1.728 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 523226427 HSOYMPSLQHXUMN-LJQANCHMSA-N 419.485 1.659 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CC[C@@H](NC(N)=O)C1)CCCC2 535682636 ZDYORHGDPJKCCV-OAHLLOKOSA-N 406.490 1.909 30 10 HDEE CC(C)(CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)N1CCS(=O)CC1 540979483 ODSATEOWHLFUEF-UHFFFAOYSA-N 418.498 1.847 30 10 HDEE C[C@@H](C#N)CN(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CC1 542726027 IFYJWJIFKZDLKH-ZDUSSCGKSA-N 412.450 1.723 30 10 HDEE COCCN(C(C)=O)c1nc(CN2CCN(c3cccc(C#N)n3)CC2)cs1 546213750 VGFCPZYRCUQYMV-UHFFFAOYSA-N 400.508 1.731 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@@H]2CCCO2)cc1 549884164 HGXJUMXMSFJPDB-PGRDOPGGSA-N 422.489 1.624 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)CC2)c1 552144954 AJDWYDOARYAXKA-SFHVURJKSA-N 421.494 1.382 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 569231147 WKYADCNUHHAGJU-KRWDZBQOSA-N 416.526 1.777 30 10 HDEE C[C@H]1Cc2ccccc2N1C1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588128087 YUDNBQUEMOFXAM-KRWDZBQOSA-N 409.534 1.533 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c1C#N 589608521 ADOUIXHRIGKFNJ-OAHLLOKOSA-N 412.523 1.614 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccccc2OCC(F)(F)F)CC1 589875017 LMTLMSORVBZXDN-UHFFFAOYSA-N 415.412 1.453 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(OCc3ccccn3)c2)CC1 604169520 YRQHOIAONMDLIZ-UHFFFAOYSA-N 423.517 1.790 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 609668724 YVXQJXCTKBYTDG-CTNGQTDRSA-N 400.523 1.484 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 610345734 IHKSOSFBUDMJRH-UHFFFAOYSA-N 402.476 1.486 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 726526774 PSHPCEDHLMJGBY-UHFFFAOYSA-N 400.522 1.198 30 10 HDEE CCn1c(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc2cc(F)ccc21 727507857 MNOGWHPKJVDWRA-UHFFFAOYSA-N 416.434 1.977 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CCN1C1CC1 732701925 PGPXDEGMCVDHLQ-VQTJNVASSA-N 411.506 1.477 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 732960232 CEQYULVKYUGUDY-QCCCPLQBSA-N 420.425 1.693 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 733672978 JEVZIFKJMIWBBW-IUVQAAGXSA-N 417.531 1.868 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(C)c3C)c2=O)cn1 735069497 URRMCGUJIJAUBQ-UHFFFAOYSA-N 421.526 1.371 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C(F)(F)F 737305373 HKRHXGVHJGLVMO-PFONDFGASA-N 410.352 1.595 30 10 HDEE COC(=O)[C@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 739989665 LLDBQGBVJFGCQJ-OAQYLSRUSA-N 406.486 1.950 30 10 HDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 742143298 HXAUHSNVKKJDEL-UHFFFAOYSA-N 423.416 1.914 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 743729127 WXKPZOHITVJHSF-GXTWGEPZSA-N 417.556 1.972 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c1 759896012 WBAMESHJWZTLPR-KRWDZBQOSA-N 410.499 1.865 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)COCCNC(=O)c2ccccc2)CCCCC1 760403703 LXMSCKAGXBRARY-UHFFFAOYSA-N 407.492 1.353 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CCOCC2CCC2)C1=O 764936540 BHOIIHIWTZBYLJ-OLRQPGBRSA-N 404.536 1.877 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@H]1CCS(=O)(=O)C1 774163003 LMXTVSJNDSTXFJ-SFHVURJKSA-N 403.504 1.757 30 10 HDEE C#CCN(C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774225412 JKMADXBPXKYOOZ-QUCCMNQESA-N 418.563 1.029 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cnn(CC(F)F)c1 778911722 POPJSTBWOWCCQQ-UHFFFAOYSA-N 409.374 1.831 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccccc2CN2CCCC2=O)cc1 780203933 CZYSJFUVYSEPHO-QFIPXVFZSA-N 421.453 1.574 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)c(C)n1 781657361 KHXQDGQJCABEDI-UHFFFAOYSA-N 424.526 1.391 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])s2)c(=O)n1-c1ccccc1C#N 782248423 BCVMDXYMQDIKQB-UHFFFAOYSA-N 405.420 1.767 30 10 HDEE C#CCN(C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 786814882 ZMIWVNIXSCPTRC-QGZVFWFLSA-N 406.504 1.974 30 10 HDEE C[C@H](O)[C@@](C)(CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1 790332993 HWKKKIBODLHVPC-KTPVKRHPSA-N 400.479 1.442 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 794580152 UXAWLFNLCQNIGC-INIZCTEOSA-N 413.543 1.936 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 802603324 KFGYPQIFCGRTAF-CQSZACIVSA-N 417.432 1.837 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)ccn2)NC(=O)N[C@@H]1c1ccccc1 803848214 LAHZKTXDLSQAST-GOSISDBHSA-N 406.398 1.981 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812754239 ZNYBPLVTSGECQK-IBGZPJMESA-N 402.447 1.951 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2 817537091 XKTQEKNSVSFPCY-UHFFFAOYSA-N 417.462 1.794 30 10 HDEE C[C@@H](C(=O)N[C@](C)(C#N)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O 1128704110 VKIOLZQYXHOGQJ-DYZYQPBXSA-N 407.268 1.394 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCN3C3CCCC3)C2=O)cc1 1132134028 ZRNDOFKVDDTSLL-RTBURBONSA-N 409.490 1.896 30 10 HDEE CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1NC(=O)OC(C)(C)C 1138039204 HLBCKFJXQNAANZ-HIFRSBDPSA-N 419.482 1.362 30 10 HDEE C#CCN(CC(=O)N1CCCN(CC(=O)N2CCCC2)CC1)C(=O)OC(C)(C)C 1144286160 YWDHRYLAFNTOFE-UHFFFAOYSA-N 406.527 1.013 30 10 HDEE C=C[C@H](C)ONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1144583573 SNLGLVRWWOCCFB-AWEZNQCLSA-N 410.492 1.871 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc3c2OC(F)(F)O3)cc1 1148903882 NKFCYKIREBBVNL-UHFFFAOYSA-N 408.382 1.850 30 10 HDEE C[C@@H](CC(=O)NCc1nn(C)cc1C(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1152061075 PFKUMXHEGXRMOM-JTQLQIEISA-N 411.434 1.491 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)C1 1152269251 NVCDCNSPAFSDMZ-XAXZJEFASA-N 416.522 1.900 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1 1152967593 MLGNFMJMSNESQS-UHFFFAOYSA-N 408.483 1.613 30 10 HDEE CCS(=O)(=O)N1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1153113119 WRPIDGHVKLSLAH-OAHLLOKOSA-N 416.544 1.504 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1 1158850954 AGYUXIOHIKMKNM-AWEZNQCLSA-N 406.450 1.361 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c1 1161953197 LWJPGBSFHSWYNQ-UHFFFAOYSA-N 409.529 1.667 30 10 HDEE Cc1c(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(=O)n(C2CCCCC2)n1C 1164378612 PROSPWJOVNXHGK-VHEBQXMUSA-N 401.467 1.855 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCN1C1CCCCC1 1166988081 NULBQLCRFWOVOA-QAPCUYQASA-N 404.536 1.748 30 10 HDEE C#CCN(C(=O)NCCc1cc(OC)c(OC)cc1[N+](=O)[O-])C1CCN(C)CC1 1223713432 MQJIGHQBOQNASS-UHFFFAOYSA-N 404.467 1.894 30 10 HDEE Cn1cc(CNC(=O)NCc2cn(C3CC3)c(=O)nc2O)c(-c2ccc(C#N)cc2)n1 1226082424 IZTNLHGIDSXQIZ-UHFFFAOYSA-N 419.445 1.555 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cnc(Br)cn3)CC2)c1C#N 1234131385 STTQGGRGWRKOPU-UHFFFAOYSA-N 419.287 1.185 30 10 HDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1276933518 HAJSXNSRBGAVRL-IBGZPJMESA-N 407.474 1.771 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1286275476 SHJHEFZXUBXYSX-AWEZNQCLSA-N 412.885 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286303251 PZHDQFYMQZBVSG-FIKGOQFSSA-N 401.511 1.587 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286312500 WEXNUQJRWFEPFT-UHFFFAOYSA-N 400.527 1.669 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286319136 FWEOYCUYUNEFSE-GOSISDBHSA-N 423.521 1.854 30 10 HDEE C#CCCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1286359786 JYCOCGLBHZKDTB-WFXMLNOXSA-N 404.511 1.728 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)C(C)C 1286516669 KHHJWJWHSRZHCT-HNAYVOBHSA-N 424.571 1.043 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286607623 SZOCHVKXAGKAKB-QGZVFWFLSA-N 422.555 1.675 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cnnn2C)CCOC1 1288311813 FWALUYLCPNIBFM-WOJBJXKFSA-N 414.514 1.626 30 10 HDEE C[C@@H](CN1CCCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1288699098 DVGDMGPDLKEMGE-ROUUACIJSA-N 415.542 1.251 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN[C@@H](c4ccccc4)C3)C2=O)cc1 1299399451 SYWDANZBUAXLGT-VQTJNVASSA-N 417.469 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1300303544 JLUWMPGIEIOGGN-RHSMWYFYSA-N 415.519 1.280 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1300313607 LVBIBPSWDCTTHX-HNNXBMFYSA-N 405.499 1.501 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1300380984 LCDOLKSHUGDBOV-HNNXBMFYSA-N 414.897 1.587 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1300475284 GEOSTINGEWSRBB-UHFFFAOYSA-N 418.519 1.760 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300493245 SUUJPKNJXRHOIH-DLBZAZTESA-N 417.535 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1COCCO1 1300505565 CUNSLWQUZXQTEB-LJQANCHMSA-N 407.474 1.635 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1300602880 VDUAKWLWLUSOBN-OAHLLOKOSA-N 405.524 1.543 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1300672945 BSYNENZYTIRTAA-UHFFFAOYSA-N 417.535 1.175 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](F)COC)CC1 1300708169 PJXAORPNCIHSGZ-SFHVURJKSA-N 401.486 1.905 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1300849294 NFOZZQMWEUMBGU-QWHCGFSZSA-N 419.345 1.704 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301587401 VCIFCGRVUBLOJT-QGZVFWFLSA-N 423.583 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301588556 HGLMQOZRQAZHTD-KURKYZTESA-N 423.583 1.793 30 10 HDEE COCCN(CCC#N)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nnn(C)n1 1301800170 VILNPSGQDYKNAR-UHFFFAOYSA-N 421.509 1.686 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cnnn1 1301976321 ZDKXAVJORIKFDK-CYBMUJFWSA-N 401.425 1.820 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(S(C)(=O)=O)CC1 1302242195 JEVRGWYYKYPEGY-ILXRZTDVSA-N 411.528 1.318 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1303932903 BMXSNXDNNHTWOO-YWZLYKJASA-N 413.457 1.972 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCC[C@H]2C)cs1 1304675099 ZNLDMGBLJONZLE-VVFCZOMOSA-N 402.524 1.914 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305325294 CZWBZMCVHUPNEJ-ZSZQSSIHSA-N 409.556 1.717 30 10 HDEE N#Cc1cc(N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)ncc1Br 1307225236 WQOQAXUELNXGEB-LOIXOFCESA-N 413.297 1.339 30 10 HDEE COc1cccnc1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1312874679 GUGDLYBAOQXSJH-UHFFFAOYSA-N 415.475 1.178 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCS(=O)(=O)N=S(C)(C)=O 1313311420 YVOMWEOCAWICIB-UHFFFAOYSA-N 400.526 1.236 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCc3nccn3C2)CCOC1 1314084688 NZDKVBDPHOBATC-CBGDNZLLSA-N 413.526 1.985 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOCC(F)F)c1 1316529213 NHQNULCORXHTSZ-HNNXBMFYSA-N 404.421 1.800 30 10 HDEE COC(=O)c1cn(C2CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)nn1 1320297242 XJNBXVPZVRUFRJ-UHFFFAOYSA-N 402.436 1.236 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1358900540 MRXVTRKTDBDDDT-HRCADAONSA-N 418.542 1.985 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1358912918 BELLAPOGVGLSJW-ULQDDVLXSA-N 407.540 1.403 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1359024201 HGPHUZNPQUPCKN-LXPRWKDFSA-N 424.567 1.471 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCOCC1 1359024306 KIQNIHVOPHSIIQ-OALUTQOASA-N 405.543 1.574 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1359026315 RVZOBHDWYLLQGH-SFHVURJKSA-N 405.506 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccn(C)n2)CC1 1359043435 UCLKJQYPVKRUJG-UHFFFAOYSA-N 406.494 1.031 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359132684 CECQGILZLQXDBN-DLBZAZTESA-N 404.515 1.321 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](COC)OC)CC1 1359162118 DQCHDOOCQWYFOY-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359229149 ABRMMGICLLBARU-DYESRHJHSA-N 421.542 1.580 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1359298475 AXSSSRJJNYGAJI-UHFFFAOYSA-N 412.494 1.758 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cnn(CCOC)c2)C1 1359319030 REALZIUCGRMROX-GOSISDBHSA-N 411.510 1.956 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1359322949 FMZVUYNIORKAFK-GCJKJVERSA-N 415.513 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359333283 SRLOBVLYCKZXCK-KGLIPLIRSA-N 412.512 1.582 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359345949 VXXXTNLTMAFUBE-INIZCTEOSA-N 419.555 1.010 30 10 HDEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1359473710 GQSZHONYNPRNEO-IRXDYDNUSA-N 408.572 1.508 30 10 HDEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359934105 WFPSTIMFOLUOLQ-QGZVFWFLSA-N 407.478 1.010 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)ccc1F 1439743115 OMUJFGMEJSWPSL-GDBMZVCRSA-N 412.483 1.558 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1450426687 GNMSIEHNVYPJRC-QUCCMNQESA-N 417.462 1.163 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1453884715 PJXFIERTWYPWJQ-JZXOWHBKSA-N 420.531 1.938 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)c1 1455655529 MIBGOVDZHDFCNT-NGEICVOHSA-N 422.503 1.382 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1462108734 JUFBTZLKLBLYJR-BEFAXECRSA-N 408.476 1.557 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)cc1 1462702914 UBZPMVOKKYCHSP-HXUWFJFHSA-N 410.499 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1463587005 DXIUIADKWZEBDI-MOPGFXCFSA-N 414.506 1.885 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(CC#N)cc3)C2)ccn1 1464055559 DFSUVLDPJBARDO-QGZVFWFLSA-N 414.487 1.739 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)n1 1467714878 CQVYCWQCBVCZJU-QZTJIDSGSA-N 420.510 1.421 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1S(=O)(=O)NCC#N 1468198541 FHARAAGXIVRHAD-HNNXBMFYSA-N 420.535 1.551 30 10 HDEE C#CCN(C(=O)NCc1nnnn1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1469113845 RDVCKYFZSOLJAH-UHFFFAOYSA-N 403.487 1.552 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C[C@H]1C 1469890331 XDFSHZJPIAHZDC-LXGCGDOSSA-N 423.473 1.564 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1470008907 XRKITBCOTBSLFC-QAPCUYQASA-N 410.540 1.393 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4cc(C#N)c[nH]4)C3)[C@@H]2C1 1471435139 OAKNAORQZXYBLL-IMJJTQAJSA-N 415.450 1.541 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471585956 ZYSBLRQYSSLVOA-XOBRGWDASA-N 414.474 1.976 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)nc1 1473512940 HQEQTFAZBWTVJH-HKUYNNGSSA-N 408.458 1.731 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1478897037 URVXUDFYKKNWII-ZIAGYGMSSA-N 400.298 1.457 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)C1 1479312862 KHXSRIXIHDJVLJ-LJQANCHMSA-N 400.523 1.629 30 10 HDEE CCO[C@@H]1C[C@H](N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1502939706 DRLNIWBIXMQIDM-YLIMMAJMSA-N 414.510 1.897 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)O 1503646500 VMMZLWKALFPFQY-LBPRGKRZSA-N 409.288 1.546 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnc1C 1505002732 XOVSPWYLJODURT-NVXWUHKLSA-N 403.487 1.326 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1505320594 OFRSWDYJHIQOED-SJORKVTESA-N 424.496 1.878 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507517425 HJTFCTFLQSFMAN-QVKFZJNVSA-N 412.494 1.790 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507592525 SGRCYWZQLQPGTK-DLBZAZTESA-N 406.494 1.572 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1507617643 XPZIDNMSSXXEEJ-HNNXBMFYSA-N 409.537 1.099 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCNC(=O)c1ccco1 1507619081 GOLUCNLXFOJNEK-UHFFFAOYSA-N 409.446 1.958 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507621803 CQCKGPPHLWVORZ-CQSZACIVSA-N 420.539 1.390 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC(=O)N(CCOC)C1 1507621905 YOPXGUHVRPCXOV-GOSISDBHSA-N 420.517 1.845 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cccc(F)c1F)[C@H]1CCS(=O)(=O)C1 1507634399 NEOLWLWEZOPCAR-HNNXBMFYSA-N 408.474 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1507733658 HGSBZCAMBPTQBI-QGZVFWFLSA-N 415.538 1.911 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)CC1 1507806177 RNAZOKKVLDOBMG-MJGOQNOKSA-N 401.536 1.814 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1507967295 FCNOUUKQUMJUNR-CYBMUJFWSA-N 406.512 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC)[C@@H](C)C1 1508137164 KKSRIYKJDWCCRL-INIZCTEOSA-N 406.556 1.415 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H]1COCCO1 1513357452 PDXBZPNOPFNZMR-HNAYVOBHSA-N 408.478 1.444 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1516764806 GKEBYXHXGDHXGL-IBGZPJMESA-N 422.493 1.625 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1526236243 USFOMEFQRCPNID-SJORKVTESA-N 414.911 1.824 30 10 HDEE CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1526840895 ZJAUWVZVOHNCLP-UHFFFAOYSA-N 423.397 1.705 30 10 HDEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 1531517261 KBUUKBVJAKAURF-UHFFFAOYSA-N 403.451 1.781 30 10 HDEE C#CCN(C(=O)c1nn(C(C)(C)C)cc1Br)[C@@H]1CCS(=O)(=O)C1 1537469397 QXIGWVBZKRKOPH-LLVKDONJSA-N 402.314 1.663 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1Cc1ccc(F)cc1 1538540071 QAUMDASYRBWMRK-LIRRHRJNSA-N 417.466 1.038 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539226442 YBPJGPDNAKQEIZ-QGZVFWFLSA-N 421.567 1.164 30 10 HDEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1CC(=O)N1CCOCC1 1539331296 MOMAZYVWQGHIEL-UHFFFAOYSA-N 419.529 1.775 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC(=O)N(C)Cc1ccccc1 1539422672 HBIOPXKMAJWPAV-LJQANCHMSA-N 411.506 1.874 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1539520121 NSVWHOGWAUIMDP-UHFFFAOYSA-N 400.508 1.519 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1540035438 CHYFZOYYXBFWRN-HWOWSKLDSA-N 400.520 1.957 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1540087233 SLYCFJLBDPNYGR-UHFFFAOYSA-N 423.521 1.515 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1540869007 ZBAKVTQHUKAOGN-SJORKVTESA-N 411.510 1.821 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1nccc(C(F)F)n1 1541103622 CTCATGNSXAQNQC-GFCCVEGCSA-N 404.425 1.886 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cc1 1542848845 MCTVMMGRGLOKCB-UHFFFAOYSA-N 402.476 1.850 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)O[C@@H](C(F)(F)F)C2)s1 1544629837 CJRNBASSMBWPKM-ZYHUDNBSSA-N 412.455 1.933 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1544743507 WEKNUMCOATZOHO-KRWDZBQOSA-N 413.327 1.924 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)Cc3nc(C4CC4)nn3C)c(C#N)c2N)cc1 1545164097 YHYKXVLUILZXMQ-UHFFFAOYSA-N 418.505 1.932 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1554482606 DQEUGHVZJQMBOS-UHFFFAOYSA-N 422.411 1.846 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1555682880 OCQOSAHWSIIWKA-ROUUACIJSA-N 421.542 1.980 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1556071425 LLYAPXDULYISSU-QGZVFWFLSA-N 401.463 1.554 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)c1 1556565026 FMUKQWNVHGICSS-ZDUSSCGKSA-N 421.454 1.148 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1556687703 QHAIUARLLGDFSI-OLZOCXBDSA-N 403.298 1.868 30 10 HDEE COc1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1OCCN(C)C 1557063400 NJDJJVMNFXYTDV-VXPUYCOJSA-N 402.451 1.491 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 1557243115 LPZXECCKUPJPHG-LJQANCHMSA-N 402.458 1.794 30 10 HDEE CNC(=O)COc1cccc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1557243258 PQLRWLLDDOFUCH-FQEVSTJZSA-N 406.486 1.963 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1557382458 PFYYVWDGKNOOBB-SJLPKXTDSA-N 421.538 1.639 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)[C@@H](O)c3cccnc3)CC2=O)cc1Cl 1557914014 HQGPPXLEEVLHKT-BJZITVGISA-N 414.849 1.170 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCNC1=O 1558397237 NNDMUJYBZCYGLF-QGZVFWFLSA-N 413.478 1.534 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558433344 UQHFFNUHHAJNRE-HNNXBMFYSA-N 401.488 1.651 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1558675467 GIVGBQBVKRIOTJ-UHFFFAOYSA-N 400.485 1.573 30 10 HDEE Cc1cc(O)nc(N2CCC(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)n1 1561988450 GVYDROOOVPDJOG-UHFFFAOYSA-N 407.883 1.963 30 10 HDEE Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)o1 1565814375 VGFWNTWELUIIRH-ZBBYCGENSA-N 407.430 1.921 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 1568679764 DJYJVURLWAOUTC-KRWDZBQOSA-N 424.519 1.376 30 10 HDEE CON1CCC(N(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1570134882 UEPIJMCDNDJBHN-UHFFFAOYSA-N 422.551 1.770 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NCCC#C[Si](C)(C)C)c(CCO)c2=O)n1 1584150254 IKLAQKIVWRQJIM-UHFFFAOYSA-N 401.543 1.108 30 10 HDEE Cc1ccc(Br)c2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)[nH]c12 1585295133 BHTVIXHWFDXDFU-UHFFFAOYSA-N 416.235 1.803 30 10 HDEE CC(C)(C)OC(=O)C(C)(C)CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1585612409 HYZKCWDQOWJRMW-UHFFFAOYSA-N 409.508 1.599 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1588871790 QETAMXGYLRAIGU-UHFFFAOYSA-N 424.505 1.575 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1594802785 HFCQGPFPRJGBKM-MRXNPFEDSA-N 413.526 1.766 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C[C@@H]3CCCO3)C(=O)OC)ccc2c1=O 1595339142 OXBGRKXOZXYCNL-BBRMVZONSA-N 417.487 1.712 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1595576916 CAJSHUQUOUUASM-UHFFFAOYSA-N 418.885 1.091 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595730851 ZFNKPTLJYAQQCM-IRXDYDNUSA-N 411.572 1.539 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1596702876 ICNNSPSGUXWBKS-GOSISDBHSA-N 419.493 1.813 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCC2(C1)OCCO2 1597805447 CFMZZSXSZOEQIW-HOCLYGCPSA-N 421.519 1.552 30 10 HDEE C#CCOCCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1608104687 QTOCWASREUMOTE-UHFFFAOYSA-N 416.455 1.938 30 10 HDEE C=CCNC(=O)O[C@@H]1CO[C@H]2[C@@H]1OC[C@H]2Nc1nccc(-c2cccc(C#N)c2)n1 1614588464 BMCLHEQUDQUJRN-NCXUSEDFSA-N 407.430 1.874 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccc(NC(C)=O)cc1)c1cc[nH]n1 1616480218 CTSGMWURGIIOMJ-UHFFFAOYSA-N 401.423 1.011 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1620080903 MJHVITCOVBXAHJ-MRXNPFEDSA-N 401.467 1.617 30 10 HDEE N#Cc1ccnc(CN2CCN(c3ncc(I)cn3)CC2)c1 1620477246 XFVPEZVUTHFKTP-UHFFFAOYSA-N 406.231 1.670 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc2nc(O)[nH]c12)[C@H]1CCS(=O)(=O)C1 1625363155 LARPCCLOHIRIHY-JTQLQIEISA-N 412.265 1.294 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(CC(=O)OC)CCCCC1)c1cc[nH]n1 1625728647 LQFFWROSJUZNMU-UHFFFAOYSA-N 408.455 1.323 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)c1OC 1627355472 AMMWEILVNUNAIM-OAHLLOKOSA-N 424.388 1.886 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OC 1638401095 GQWHOZWOLBKRRF-GOSISDBHSA-N 424.519 1.460 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(F)(F)CO)CC1 1639385800 WRUHVJDIYXRMNH-ZDUSSCGKSA-N 411.877 1.794 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1CN(C)C 1642666974 FZORBZSEQSFMTJ-WOJBJXKFSA-N 413.566 1.911 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1643412535 YYSYRIPSFBILJT-AWEZNQCLSA-N 402.428 1.297 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)c1 1644080955 HAPVPVKYNUSSIF-KRWDZBQOSA-N 415.471 1.958 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CCOCC1)C1CC1 1644343143 DTLXRMASLCFOIY-IBGZPJMESA-N 405.520 1.827 30 10 HDEE COCc1ccc([C@@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1 1644601210 SSVPOGJOQKWDTF-OALUTQOASA-N 404.511 1.492 30 10 HDEE C=CCNc1ncc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)s1 1645148058 PREWBEKZILBITR-QGZVFWFLSA-N 413.547 1.856 30 10 HDEE C#CC[C@@H]1CCCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1646392123 MEYYBJIRNMZVRL-GFCCVEGCSA-N 417.487 1.722 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CC#CC)nnc12 1648902893 ZXYGWOKCBPQJJV-CQSZACIVSA-N 411.487 1.213 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CC2)cc1 1649676893 AXAGEIMVBTUOKR-KNQAVFIVSA-N 411.506 1.962 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3oc(C)c(C(=O)OCC)c3c2=O)c1 1652534669 NPOKKEGNBMMOSW-UHFFFAOYSA-N 422.397 1.804 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1C(=O)NCC12CCOCC2 1655709844 YAKIEXKURFEIRY-KBXCAEBGSA-N 402.520 1.762 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2c[nH]c3ncc(Br)cc23)c(=O)n1C 1656778359 BBYYILRBZHVIQU-UHFFFAOYSA-N 402.208 1.249 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1656884295 XGGCDKTZKCAYIU-MRXNPFEDSA-N 403.504 1.080 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C1CCOCC1 1663234588 KIJRJFBLBYLLBJ-CQSZACIVSA-N 409.420 1.258 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1663388330 WAQWAYQFHGZKBC-OLZOCXBDSA-N 414.427 1.149 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(Br)cc1C)C(=O)OC 1663617517 JFRATJLXGVMEFP-CQSZACIVSA-N 406.298 1.921 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)CC1 1676523504 TUZPRQMXBPQSHR-UHFFFAOYSA-N 420.535 1.149 30 10 HDEE Cc1cccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1Br 1681652274 GEXPPKQVMBCCQX-UHFFFAOYSA-N 418.251 1.658 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1683425100 FNLXPSIVRSYHAG-UHFFFAOYSA-N 403.464 1.098 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@@H]4CCC[C@H]4O3)CC2)cc1 1683821425 ZZFBAPYHAOAPCS-JENIJYKNSA-N 418.519 1.532 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)CC1 1684768623 CCKITQMGBKZRPE-NRFANRHFSA-N 412.534 1.367 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1689886935 KTMKIHXBYWRGLL-GOSISDBHSA-N 416.570 1.827 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1689966484 SSIARPSREGSWNY-INIZCTEOSA-N 412.519 1.608 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCOCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689979498 CKTROZVKOIPQBG-KRWDZBQOSA-N 423.583 1.139 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1690059081 ITFMGEFQXCHWLH-DOTOQJQBSA-N 408.572 1.365 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)C2CCCCC2)CC1 1690120330 QUBNIYLVQPRGSK-QFIPXVFZSA-N 411.554 1.765 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCCC)CC1 1690136391 CXZWGPZMGHMNLT-HNNXBMFYSA-N 424.571 1.044 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1690543722 NPJQOPZJSSILOC-OAHLLOKOSA-N 407.540 1.741 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1690619743 BDXRIIVISZSHCU-OAHLLOKOSA-N 419.482 1.450 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1690655390 RPFQNDCSLDDJFP-CVEARBPZSA-N 420.583 1.927 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC=C)C1 1690700689 WCBMFUNPNNCDKJ-IAGOWNOFSA-N 410.540 1.902 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccn1 1690730166 ZEHZPDCZJYHIDR-UHFFFAOYSA-N 418.523 1.033 30 10 HDEE CC(C)N(CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1692478721 BMXVZDCGJGCSMK-SFHVURJKSA-N 417.558 1.752 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCO[C@@H]1C 1694081029 OQFYSKXTNJBSLD-QTCYRWPVSA-N 412.494 1.866 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694823735 STXOQGTZGSLCFA-WBMIKMOSSA-N 414.510 1.933 30 10 HDEE CCCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1695434067 ZSBGVNNCEGQMGJ-IRXDYDNUSA-N 403.531 1.410 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCSC1 1698060581 HKNHSJZHGIFWAP-IBGZPJMESA-N 402.524 1.883 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1705501636 LKFOJTPYPVXPLU-HNNXBMFYSA-N 423.514 1.782 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1705560580 IESBLLZBOIYMOB-FXAWDEMLSA-N 422.551 1.523 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1705582271 XJSGRHVCUUSHBX-IBGZPJMESA-N 403.486 1.579 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705609559 ILZVCJIYTQIHIR-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC(=O)NCC(F)(F)F 1705630135 HUMQJQWPHFHGNN-UHFFFAOYSA-N 415.441 1.695 30 10 HDEE C#CCSCCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705665383 SFRZXWBLJLUVET-FXAWDEMLSA-N 407.584 1.827 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1705736981 HQDRBHMUISIHSC-INIZCTEOSA-N 408.528 1.106 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCN(C)CCOC)CC1 1705765314 GNRBZDLIZNISCV-UHFFFAOYSA-N 423.525 1.655 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccco2)C1 1705931951 GIFLGIOATAVTMQ-OAHLLOKOSA-N 416.507 1.866 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1708234727 SSUSPLMYOVULON-KRWDZBQOSA-N 414.510 1.532 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1712634254 ATNLRUBDOHANCS-IAGYGMIVSA-N 419.526 1.672 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1722352372 OMRLGLULSCCOGB-AWEZNQCLSA-N 421.523 1.601 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364008 IZXUZXVKNIIQDY-SJORKVTESA-N 423.583 1.581 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722367535 NSXJNXQTRGYJLD-IAGOWNOFSA-N 416.503 1.163 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H](C)C1 1722389870 NAGOBHUMGAJDDD-YESZJQIVSA-N 407.540 1.166 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(O)(CC)CC)CC1 1722438723 ZSKYMERIJXWLKP-UHFFFAOYSA-N 414.510 1.312 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CC)CCC2)CC1 1722441956 XJSCPGPHIHGAKA-UHFFFAOYSA-N 414.554 1.962 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1722470555 VMDBJCWBBPAJRO-JOCHJYFZSA-N 416.489 1.983 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1722475402 URDXTQYIJPHEAP-OXQOHEQNSA-N 415.519 1.624 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)C)CC1 1722574271 JAVRTTVYXRPSOO-CQSZACIVSA-N 412.560 1.205 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722694351 SYRLSZDUDIALRZ-GOSISDBHSA-N 407.478 1.224 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1722863072 HOCGIQHKJOQTAW-CABCVRRESA-N 412.560 1.569 30 10 HDEE CCc1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727547808 VXSJORRDSUYUEO-IWHJNQCMSA-N 410.482 1.094 30 10 HDEE CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1728865588 HQCHXHJLYAKZMX-MRXNPFEDSA-N 421.461 1.919 30 10 HDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729160857 JWANMZSFDJFUFU-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1Cc1cnnn1C 1730764346 WRWSKKDHGLKACN-UHFFFAOYSA-N 416.436 1.690 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740616769 GOTHACWOTPHEKF-SQNIBIBYSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740617662 VBKPYDRLQXJDIA-FGTMMUONSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740619963 BBHQHWBHKZIPHP-HNNXBMFYSA-N 406.483 1.747 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)C 1740668483 ODTCKWHFHDZMFB-UHFFFAOYSA-N 407.478 1.826 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1C[C@H]1CC(=O)N(CCOC)C1 1740732851 SBHZUVAXCDBIBN-WMZHIEFXSA-N 422.533 1.751 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)c1ccccc1 1740796754 DSVHXCBILSDBMP-SFHVURJKSA-N 423.521 1.686 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740819959 LAZRINWTPPFIHO-KRWDZBQOSA-N 405.462 1.961 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2CCS(C)(=O)=O)C1 1740984319 ZSKKLPPCZXMRGN-SFHVURJKSA-N 404.536 1.889 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1741005155 SYIGKDZCURILAT-OXQOHEQNSA-N 421.567 1.660 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1741131454 BIXODHXXYUUUSR-MRXNPFEDSA-N 419.489 1.772 30 10 HDEE Cc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1742303274 FMUGRTVOSRTSDZ-QGZVFWFLSA-N 418.461 1.202 30 10 HDEE CN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1747636666 AZWJGLIOABDLOK-KGLIPLIRSA-N 405.480 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@H]2C)CC1 1749001313 PSWIPHGFRSLUQI-AEFFLSMTSA-N 414.554 1.818 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1749066711 MXLXFBYAHANAQI-WUPNUQLISA-N 422.551 1.102 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1749187737 IDMVZHUZWDISHZ-QGZVFWFLSA-N 424.553 1.881 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(O)cc2C1 1749650283 QINCODRSUXQYNQ-UHFFFAOYSA-N 410.478 1.085 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccn2)C1 1749698698 WLKKFIXPTDQPAV-WBVHZDCISA-N 420.539 1.307 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(C)c1C 1749821505 BNHKIVWXORSPLO-UHFFFAOYSA-N 414.514 1.279 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1751613855 AJIDCLBXPQFUDN-FQEVSTJZSA-N 413.457 1.373 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1760114802 TZWRCYUFMILANB-OAHLLOKOSA-N 412.494 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1760127236 ULBVQCUHYMDYFN-SOUVJXGZSA-N 414.514 1.684 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1760163589 XIYPULXGYUIDPX-CQSZACIVSA-N 406.512 1.190 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1760177058 LBZIYYLMNRLTHS-QGZVFWFLSA-N 420.517 1.915 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1760232202 WIMWRIOKPURALY-UHFFFAOYSA-N 404.478 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCOCC2)CC1 1760254558 BDCQGUMJUNXQOS-UHFFFAOYSA-N 424.549 1.431 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCSC2)CC1 1760263348 XXRMNJJOEGYFKB-LJQANCHMSA-N 403.577 1.554 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760511699 HMTVTLGZBLNSMZ-UHFFFAOYSA-N 415.567 1.564 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760520022 ABDIXAUSUBFKKH-INIZCTEOSA-N 411.510 1.385 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOC(C)(C)C2)C1 1760534585 BSONGVGAPGDEJG-KRWDZBQOSA-N 420.558 1.308 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1763489777 DGNMKVDDYTZSGL-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1764568244 AXIMXGGQHBOELK-QZTJIDSGSA-N 421.505 1.590 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(C)=O)CCOC1 1765868239 LERCNFDWVGVFAG-HXUWFJFHSA-N 404.515 1.586 30 10 HDEE CN(C)C1(Cn2c(-c3cnccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCOCC1 1766900255 BXIWZUNFIIRYTR-FQEVSTJZSA-N 410.526 1.976 30 10 HDEE CO[C@H](Cc1ccccc1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1768046020 GOYDHHCYIJXNCB-RTBURBONSA-N 407.478 1.665 30 10 HDEE COC[C@@H](F)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1769290552 HCFAQGFWQKYRJX-HNNXBMFYSA-N 418.521 1.800 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1769982574 HIAKSRHGIXHIJU-IXDOHACOSA-N 407.515 1.672 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@@H]2CCCO2)CCO1 1770751645 JAKVFJIIHXEFCU-RBUKOAKNSA-N 412.494 1.578 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1771342895 DWMFVDRNEHHBGA-YOEHRIQHSA-N 411.503 1.581 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1848602025 LQJFPWRETNJLOA-MAUKXSAKSA-N 423.510 1.472 30 10 HDEE N#Cc1cccc(C#N)c1N(C[C@@H]1CCCO1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1852302796 MCBDODHPSVXJQC-YJBOKZPZSA-N 406.446 1.884 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCNC(=O)c2ccc(-n3ccnc3)cc2Cl)CC1=O 1852499162 DSQZJGDWOKUVJJ-AWEZNQCLSA-N 416.865 1.833 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nnc([C@@H]3CCOC3)o2)cc1 1853322080 FXVHRIHPLASPTL-MJGOQNOKSA-N 414.462 1.742 30 10 HDEE COc1ccc(OCC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)c(OC)n1 1853680712 MUWUAVBVJYSTNI-OAHLLOKOSA-N 402.451 1.231 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)COc3ccccc3F)CO2)cc1 1853849560 QRGPYHBESLHRER-AWEZNQCLSA-N 406.391 1.624 30 10 HDEE C[C@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)CCCn3ncccc3=O)C2)CC1 1853889410 ZCETZWRZZBVACN-IEBWSBKVSA-N 413.522 1.803 30 10 HDEE CN1CC[C@@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C23CCCCC3)C1=O 1854028589 GHXJADCLCKKRMT-LJQANCHMSA-N 408.502 1.705 30 10 HDEE COCC(=O)N1CCCC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1855772048 XSVGXMKDBAAQEH-GOSISDBHSA-N 404.511 1.015 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccnc(C#N)c2)C1 1855939961 BIBKCYQUTYZUMZ-UHFFFAOYSA-N 410.455 1.713 30 10 HDEE CN1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)[C@H](C2CCOCC2)C1 1856328000 NEZCMJWYLDATTA-RXVVDRJESA-N 410.518 1.590 30 10 HDEE Cc1cc(CN2CC[C@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)no1 1856559934 HLUWQYHSYYAGLJ-FQEVSTJZSA-N 407.474 1.343 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C1(C)C 1856774764 JHKCTUXLISMWJH-JKSUJKDBSA-N 404.511 1.156 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1=O 1857057562 URVNRJXLBNTXRN-SFHVURJKSA-N 419.547 1.724 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2=O)CC1 1857069987 FNUHHJXMFBPUJB-GDBMZVCRSA-N 403.433 1.638 30 10 HDEE CN(c1ncc(Cl)cn1)C1CCN(C[C@H]2CCC(=O)N(C(=O)CC#N)C2)CC1 1857386248 HJTXXRUMVOYORB-CQSZACIVSA-N 404.902 1.709 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)[C@H]2CC=CCC2)C1)C1CN(c2nccnc2C#N)C1 1857417717 FJXWLVQEMHFFOR-IRXDYDNUSA-N 408.506 1.590 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C)c1ccccc1C#N 1858018839 OAYLGNXTTHHEJM-UHFFFAOYSA-N 412.471 1.409 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1 1858971163 QFRISGNNIPYXOP-UHFFFAOYSA-N 417.487 1.842 30 10 HDEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CSc1nnnn1C 1870185452 VPNUZVUOPTYZHK-UHFFFAOYSA-N 408.528 1.889 30 10 HDEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCC(N(C)C)CC2)cc1=O 1870386315 KHVQPGFXSBCXOK-UHFFFAOYSA-N 404.555 1.271 30 10 HDEE Cc1noc(C)c1CC(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889338209 UFNPCTRQZXOQMX-UHFFFAOYSA-N 416.566 1.871 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc43)CC2)CC1 1889365356 HPODNTZSLYMXPO-QFIPXVFZSA-N 411.546 1.811 30 10 HDEE C#CCC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O 1984847302 VHSVVXVBZMGYGC-SFHVURJKSA-N 417.506 1.996 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985098004 NUFKUODVXWINDP-CYBMUJFWSA-N 411.308 1.306 30 10 HDEE N#CC1CCN(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)CC1 2054402529 FLOGERZDMXHBPN-UHFFFAOYSA-N 406.508 1.858 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)c3nnc(Br)s3)nc2)OC1(C)C 2062535353 DIVNSLORXXDJML-UHFFFAOYSA-N 412.078 1.642 30 10 HDEE N#CC12COC(C[S@](=O)CC[C@@H](NC(=O)OCc3ccccc3)C(=O)O)(C1)C2 2074700060 UOKUWPDMCTUPLE-XIRCQLOBSA-N 406.460 1.578 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)N1CC[C@@H](C#N)C1)C(F)(F)F 2118164581 ZLJMPTFIKBWJNS-QWRGUYRKSA-N 400.423 1.512 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@H](C)S(C)(=O)=O 2157043571 LUOZNOHMIHEUIJ-LBPRGKRZSA-N 401.359 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(C#N)C2)C[C@H]1CC(F)(F)F 2176104777 PFKMLEDRCDPOMW-GFCCVEGCSA-N 412.434 1.560 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2243702771 SLHYKIUZMNZLPC-CABCVRRESA-N 408.304 1.667 30 10 HDEE C[C@@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247814010 NECJNRVMARBWSA-TZMCWYRMSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247857527 HGYYMFHCVBZHMB-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)COCc1ccccc1 2247857656 IJEZNWXWTXCQTR-HNNXBMFYSA-N 414.315 1.697 30 10 HDEE Cn1nc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247918799 MZXXJHBFNPZXEY-STQMWFEESA-N 420.319 1.505 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2255626939 MBLDILRHMQGOLM-HDICACEKSA-N 422.338 1.913 30 10 HDEE C[C@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704142 IZXIPPLLYIZTAB-ATZCPNFKSA-N 407.750 1.748 30 10 HDEE Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1C#N 2270503338 CWHQVZBBMCPWDT-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270518785 LBCDSCSYNDMOAF-QZTJIDSGSA-N 422.503 1.868 30 10 HDEE Cc1nn(C)c(C(=O)NC[C@H](C)CC2(C)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2281989131 VWUMSUXSJBYVMK-CYBMUJFWSA-N 407.320 1.547 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282031486 SOIOIWXXHNJXLF-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315343 MNNUPDIJLGZUQB-NWDGAFQWSA-N 421.415 1.746 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](O)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282320823 NRXSBNQYEXAICM-SNVBAGLBSA-N 411.301 1.650 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2=CCCOC2)OC1(C)C 2282414505 TZJQWXYTMGOOGD-UHFFFAOYSA-N 400.331 1.208 30 10 HDEE CC(C)C[C@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504172 KWTRZVJINRHNJW-GFCCVEGCSA-N 404.363 1.269 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](C2OCCO2)C1 2282575525 DMDOAEWVMYRWTB-AWEZNQCLSA-N 403.284 1.829 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282576557 SDBYIHKEUJBLIV-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282832936 DFVDMGCYNKIVHS-NWDGAFQWSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@](C)(CN)C2)OC1(C)C 2282837208 CEQQRRHSWQXTKS-KRWDZBQOSA-N 400.375 1.548 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCC[C@@H]1O 2282847870 GBQMXCFOQUHIQM-AVGNSLFASA-N 401.359 1.875 30 10 HDEE CS[C@@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853775 IWQUZXLQQUPTCJ-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H]1CC[C@@H](CO)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859875 RPGBMPOOEJBMGQ-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NO[C@H](C(=O)O)C2CC2)OC1(C)C 2284413691 AWUJNUVPFHLJLU-LBPRGKRZSA-N 403.287 1.120 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415677 PUVLLYKTONYLFC-UHFFFAOYSA-N 401.315 1.699 30 10 HDEE Cc1nnc(SCC(=O)NC2CCCC2)n(N=Cc2cnc3ccccc3n2)c1=O 2321655302 VYDVKSXDCZQTFM-UHFFFAOYSA-N 423.502 1.923 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372002 MSQHPGDVMLJGKR-UONOGXRCSA-N 401.554 1.719 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2362723700 CPVLGSJMHXCQNK-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE COC1(C#C[C@H](N)[C@@H](O)c2ncc(I)s2)CCOCC1 2363667368 XYUBFCFCTMFOJD-GXSJLCMTSA-N 408.261 1.307 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788513 AJALPINANYDLRW-KGLIPLIRSA-N 401.481 1.436 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367793117 UEIFXBJLWFNDGR-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE C[C@@H]1CC(CN)(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)S1(=O)=O 2380705482 QPBWAIWGHCLRPN-KFWWJZLASA-N 400.545 1.114 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c1 20527448 AFGFRRBBHRVAKF-AWQFTUOYSA-N 414.451 1.278 30 10 HDEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1C(C)C 59911199 NUUUAJQZMQCEGJ-UHFFFAOYSA-N 413.554 1.747 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@@H](CO)OC[C@@H](CO)OC(CO)CO 263584325 PVPULAXNWFILAK-WOJBJXKFSA-N 422.559 1.559 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)C[C@@H]1CCCO1 404833293 WEIKFSDBYBXDKR-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H](O)C3(CC3)C2)cc1[N+](=O)[O-] 428211004 SIAWTLXOEYEJNZ-KRWDZBQOSA-N 411.418 1.977 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 431669574 IFLAUPCYVJEEBE-PZJWPPBQSA-N 413.566 1.669 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3[C@H]3CCS(=O)(=O)C3)cc2C1=O 437188951 JFJCZWOCUJBNGZ-ZDUSSCGKSA-N 414.443 1.277 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(n3)CCCC4)CC2)cc1 441686132 CEIHGICPIYPQME-UHFFFAOYSA-N 410.499 1.979 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nnc(-c3c[nH]nc3C)s2)c1 444193521 LEEXFPNIBAJIGL-UHFFFAOYSA-N 404.477 1.953 30 10 HDEE Cc1n[nH]cc1-c1nnc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 444996051 ZYCNWYIMYBVFJQ-HNNXBMFYSA-N 422.474 2.425 30 10 HDEE COC(=O)c1ccccc1CS(=O)(=O)N1CCN(c2ncccc2C#N)CC1 462453732 DUVCGZYIGWCTBW-UHFFFAOYSA-N 400.460 1.392 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c2c(nn1C)CCCC2 462637009 DNROVGPBQPOMOS-CYBMUJFWSA-N 401.492 1.154 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCOC)Cc2ccnn2C)cc1 488376291 SEJLHSQZMHBYRU-UHFFFAOYSA-N 421.523 1.907 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@@H](C#N)c3cccc(Br)c3)cnc21 496289655 HOCBBCQTFVPNEP-ZDUSSCGKSA-N 401.224 1.274 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 500227200 DXHFJUWKYKEGJS-UHFFFAOYSA-N 422.528 1.626 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(Cc2nc(C)no2)CC1 500318417 AWXZYVJIBJKROC-MRXNPFEDSA-N 412.494 1.840 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)CCCC(=O)Nc1ccccc1C#N 506669981 OJGXPFAFQPLWIX-NVXWUHKLSA-N 406.508 1.501 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccc(F)cc1 514654458 DYSQJIJZJRRUBH-UHFFFAOYSA-N 409.442 1.296 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 515712698 NUPCLPVJNTYXLV-MRXNPFEDSA-N 407.540 1.950 30 10 HDEE C[C@@H]1CN(C)C[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534486447 DSNYCHXGDMWUSM-HZPDHXFCSA-N 404.536 1.510 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nc(-c3ccccc3)no2)CC1 543498781 DDWQCZYZKGNMJP-UHFFFAOYSA-N 401.492 1.275 30 10 HDEE COc1ccc(NC(=O)C2(NC(=O)[C@H](C)n3cnc(C#N)n3)CCCC2)cc1OC 545272087 CRPFQNUVPPPERA-ZDUSSCGKSA-N 412.450 1.796 30 10 HDEE N#CCNC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 553429696 NIXJFXKRHOMODH-UHFFFAOYSA-N 402.480 1.891 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cc1 553696808 LDBGQFSUZMAPGU-DENIHFKCSA-N 419.485 1.830 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 555243545 XIKJVRGYJFJMOI-KRWDZBQOSA-N 402.499 1.869 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)CC1 557335858 LSKOIHSADRDDBI-FUHWJXTLSA-N 417.520 1.931 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 557721929 LKGMKSQXWHQSBU-XYPHTWIQSA-N 402.882 1.869 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2C[C@@H](O)CC(F)(F)C2)cc1N1C[C@@H](O)CC(F)(F)C1 588029125 MWYLIKSVEIMWKR-RYUDHWBXSA-N 418.347 1.879 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 590914018 OBKMHAHQEJFUJK-KRWDZBQOSA-N 411.527 1.427 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(F)cc1 603826036 ZUPLRMXROMVGDJ-UHFFFAOYSA-N 424.413 1.195 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)c1 614902959 PEVCLCXXRATZAW-QGZVFWFLSA-N 412.511 1.826 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@@H]2CCOC2)C1=O 731560668 XMGDXZFRCZRJQS-PBHICJAKSA-N 416.503 1.679 30 10 HDEE CC(C)c1ccc(-n2cc(O)c(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)cc1 743358084 BYQBXNPJUZVESB-ZZEZOPTASA-N 409.446 1.958 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cc(F)ccc1N1CCOCC1 746291290 GZXNWQBAKZHSLG-VXPUYCOJSA-N 402.426 1.195 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CC1 754374031 SSXRGQVDCRHICX-WAFIBAPDSA-N 416.547 1.755 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2)c1=O 758065223 BYWSJQQZXZTSCQ-UHFFFAOYSA-N 408.479 1.432 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c(OC)cc2C)c1=O 758068130 QYRJLGVXEJFNJR-UHFFFAOYSA-N 422.506 1.741 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccoc2)c1=O 758085352 WUMULRVWTQSZOS-UHFFFAOYSA-N 404.403 1.251 30 10 HDEE CS(=O)(=O)c1nc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c2ccccn12 760399669 AWUMAJCVQCQWDX-UHFFFAOYSA-N 424.504 1.271 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1N1CCNC1=O 760404355 REJZTRCRCDZZJO-UHFFFAOYSA-N 420.491 1.758 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 765723240 IDQZAZORRACGMM-RPBSFSNWSA-N 418.494 1.762 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(O)nc(N(C)C)n2)cc1 766001807 SOOZUHHSPXEAPN-PXLXIMEGSA-N 418.479 1.313 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)c1ccc(S(N)(=O)=O)cn1 769837223 PATNCJMZKPZJTI-LBPRGKRZSA-N 409.489 1.551 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C1CC1 772301563 XYPDDPOXSGDQKX-UHFFFAOYSA-N 418.316 1.565 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2cc(Br)ccc2OCCOC)CC1 778638214 ADSOPKFBUOJLHJ-UHFFFAOYSA-N 417.325 1.414 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C)OC(=O)[C@H](O)c2ccc(C#N)cc2)cc1OC 780206074 PXZNTVFKPNZYRG-VBKZILBWSA-N 412.442 1.899 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CCN1C1CC1 782551962 BQPAJDWRDAXXPE-CQSZACIVSA-N 402.398 1.760 30 10 HDEE CS(=O)(=O)CC[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 789389059 PODLFRQCEYLVOX-GOSISDBHSA-N 420.512 1.723 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCF)C1=O 797816406 OFEOXIRGHLOUKZ-HNNXBMFYSA-N 410.471 1.384 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 798169522 HTGXSQNIROUWII-LGMDPLHJSA-N 403.345 1.930 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1)n1cnc(C#N)n1 798745634 UTCQMGCKPURIQB-AWEZNQCLSA-N 414.491 1.441 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 799230745 VKDDBNJRLRLVPS-QGZVFWFLSA-N 402.476 1.919 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1C#N 806336197 LHNPTNLMYVHISB-MRXNPFEDSA-N 418.494 1.849 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c1 810165695 YYXQYMRKWYMDCC-LSFYYWBFSA-N 406.508 1.877 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)ccc1C#N 810866116 TZVDPQRYBNUMHJ-NRFANRHFSA-N 410.405 1.789 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 810985823 IIXPNLLUZCNZEI-CYBMUJFWSA-N 400.522 1.595 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 812172862 OYIYBKVMRJKLFN-MRXNPFEDSA-N 403.483 1.306 30 10 HDEE COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)ccc1C#N 812250104 ZJMWICZVGXMFSJ-MOPGFXCFSA-N 409.442 1.955 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCCc2cnn(C)n2)C1=O 814703543 MNNJTMYFKNTHCG-HNNXBMFYSA-N 404.471 1.655 30 10 HDEE C#CCN(C)CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 818615297 HDEHPOOGIICCQN-UHFFFAOYSA-N 406.552 1.222 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1 1116380224 KZOFXCSCVDUWGA-WOJBJXKFSA-N 415.490 1.912 30 10 HDEE COc1ccc(-n2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2C)cc1 1134055822 FWSKTVDAUHLSTJ-LIRRHRJNSA-N 400.460 1.200 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1137093994 AIGUJNPMGWIIDN-MRXNPFEDSA-N 401.369 1.589 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)[C@H](C#N)C1 1137215125 NCICXMUXEDHIAI-UTUOFQBUSA-N 404.389 1.415 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1137575895 GUDGPSSGVDRMNG-NVXWUHKLSA-N 416.457 1.213 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1142255684 DVSOTSKVISBANF-OAQYLSRUSA-N 406.486 1.605 30 10 HDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1160000859 VASSBSKFQNFORY-KCQAQPDRSA-N 407.492 1.352 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1179365845 ADZJTFDWWCFJPT-MAUKXSAKSA-N 401.463 1.922 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCc3c(sc(N)c3C#N)C2)c1=O 1179869905 USEKIHIGKHVRIF-UHFFFAOYSA-N 409.471 1.283 30 10 HDEE CC(C)(C)NC(=O)CN1CCN(C(=O)COc2c(Cl)cc(F)cc2C#N)CC1 1189694411 YQZCAJLRFXLDLK-UHFFFAOYSA-N 410.877 1.788 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(Br)ccc1C#N 1209890539 CDKMWYSVJFYDJR-VHSXEESVSA-N 407.311 1.517 30 10 HDEE C=CCc1cc(CNC(=O)Nc2[nH]nnc2C(=O)NC2CC2)cc(OC)c1OC 1210457499 BKYPBAHNXVRAHT-UHFFFAOYSA-N 400.439 1.764 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCc2nnc(S)n2C2CC2)C1 1233852419 KQBFVHYBHCXYKS-YPMHNXCESA-N 421.527 1.502 30 10 HDEE C#CC1(F)CN(C(=O)NC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)C1 1235725004 JGHKYJVXEXYXNE-ZDUSSCGKSA-N 422.423 1.837 30 10 HDEE CC(C)(CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@]1(O)CCOC1 1252508178 PNYXTNNVPWEYPN-JOCHJYFZSA-N 400.523 1.999 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1286291128 BPRPGHCNMPGHKB-AAEUAGOBSA-N 403.284 1.893 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NCc1ccccc1 1286363822 ZYSSVOWYRLBJQP-QFIPXVFZSA-N 411.506 1.706 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286394342 OLVXVEGYRJHRDY-OALUTQOASA-N 414.531 1.765 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286399125 ZGMJXYCMPZDMQP-FGTMMUONSA-N 421.567 1.241 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1F 1286465485 OXOTXCUPVZWINC-KRWDZBQOSA-N 401.442 1.511 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286670124 AURIKAYQWPJQFL-MGPUTAFESA-N 421.567 1.847 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1)C1CC1 1286731275 GOGRIQGWEGUMPG-QGZVFWFLSA-N 412.542 1.974 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286773353 FPGDMAUNEKNGSO-GASCZTMLSA-N 402.499 1.737 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1286968405 LFQUVJUPMUXNKE-NZKCYVOASA-N 413.482 1.642 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1297963935 GMTWEOFDAORVSO-INIZCTEOSA-N 413.438 1.450 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300413375 UQGFQLADSJBSHE-QFIPXVFZSA-N 421.505 1.492 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1300458024 DIRKGRCDDNVZGZ-INIZCTEOSA-N 418.519 1.705 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1300488831 WUYMDMZGTHKENH-KRWDZBQOSA-N 417.535 1.518 30 10 HDEE COc1ccncc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1300686809 GMZJJUUXFPZKDA-CQSZACIVSA-N 406.450 1.973 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300850769 DDPLCRPUHPUNLW-AWEZNQCLSA-N 413.364 1.786 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1301272553 HVBXRFNDCITUOZ-STQMWFEESA-N 424.493 1.395 30 10 HDEE C[C@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)COc2ccccc2O1 1301395416 OLEQRSHGOXFNCD-FQEVSTJZSA-N 415.471 1.462 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCC2 1303551058 JVRKIODSNISSGJ-INIZCTEOSA-N 415.519 1.743 30 10 HDEE CCCCN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1306691721 HYFDMYVQJODYFU-ZPHPHTNESA-N 412.498 1.831 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1 1310131926 WFBAPYDNIXTHPW-OAHLLOKOSA-N 408.480 1.552 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 1311485635 FAWVHVUNRYVOJK-UHFFFAOYSA-N 408.543 1.489 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)nc1O 1312467734 BQYNYFCZHYROSQ-JKSUJKDBSA-N 401.398 1.179 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCN2CCSCC2)c1 1316530088 FUGFWPVDQKXOSY-UHFFFAOYSA-N 411.535 1.192 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 1320595615 HYVKSYSEQFZCJF-HNENSFHCSA-N 405.401 1.691 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)O)CC2)C1 1326375166 FRBMGCNIWIOMEE-INIZCTEOSA-N 422.503 1.589 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1353197558 CVQPMHCQNAHILP-GFCCVEGCSA-N 414.853 1.763 30 10 HDEE CN(C)C(=O)Cn1ccc(NC(=O)COc2cccc(Br)c2C#N)n1 1357920218 CJOLYQNLHAUCPV-UHFFFAOYSA-N 406.240 1.623 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358955011 CBNVWRPTUUOERN-LSDHHAIUSA-N 407.540 1.089 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCOC[C@H]2OC)n1 1359027340 FZLAJAGJLNYALQ-IEBWSBKVSA-N 402.499 1.121 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359048131 GFXWXXXLIXQLMI-NVXWUHKLSA-N 403.552 1.884 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359288218 MAYPOWZAQNEEIW-YLJYHZDGSA-N 409.538 1.439 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCC)C1 1359291659 ZIOWOKZAQYXUNL-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1359292972 CFGDCXNBKQSSCU-UHFFFAOYSA-N 400.458 1.557 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1360124040 PZJGHKJIPRGFIV-SFHVURJKSA-N 400.523 1.933 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1C#N 1437355532 WEOJJBVRJHTJSA-CYBMUJFWSA-N 403.464 1.927 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)CC[C@H]4C3)C2)C1 1446212394 SALXCSQNXHPXDD-WZHMAMEKSA-N 402.495 1.606 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1449081537 GFFVVUNIGFYMCK-QGZVFWFLSA-N 408.543 1.210 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)C1 1454530825 SILBACIFHYHSPF-GJZGRUSLSA-N 403.280 1.636 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC[C@@H]2C=NNC2=O)C1 1470579966 PQOKUEUDOGQRQD-LLVKDONJSA-N 404.268 1.385 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1470852863 MQXOSFZUQYNLRW-CABCVRRESA-N 419.544 1.013 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccc(Cl)cc2)c1 1471268752 HWNAHBCABADDSK-FQEVSTJZSA-N 420.918 1.975 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)Oc1ccccc1 1471620863 GISBLHXWQXVROQ-LJQANCHMSA-N 421.457 1.887 30 10 HDEE C=C[C@@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1472171787 CIKTXZPXBDRVPN-OAHLLOKOSA-N 413.515 1.850 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H]3CC[C@@H](N(C)C)C[C@H]3C2)cc1S(=O)(=O)NCC#N 1472350306 USROWYWEMHCKTB-OKZBNKHCSA-N 404.536 1.599 30 10 HDEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)Cn3cnnn3)CC2)cc1OC 1474506686 LGKCXNPNONACLW-UHFFFAOYSA-N 406.874 1.244 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F 1474863433 VDGAVEVQWMPNGY-NSHDSACASA-N 409.432 1.115 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C1CCOCC1 1476248683 OHCGYWCYFHWAQO-HOTGVXAUSA-N 406.508 1.670 30 10 HDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1504823285 DZQRGXPVCQBXHI-HNNXBMFYSA-N 420.539 1.970 30 10 HDEE CSCCCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1505256101 ZHZUJUBHNOWCOP-DCOQFNDQSA-N 420.539 1.498 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)CC1 1505320401 JGMZEGVCKFTFDP-KRWDZBQOSA-N 402.499 1.555 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccs2)CCO1 1505321048 DZXHVZFUQWVXIF-CQSZACIVSA-N 409.475 1.958 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507581442 SOBYREYPFOVMTO-SJORKVTESA-N 413.526 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N(C)C 1507673045 NSIMQKYCHSAHPE-UHFFFAOYSA-N 404.474 1.670 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507687985 WXIIFGOHDBQJLA-HXUWFJFHSA-N 417.517 1.810 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Cl)cn1 1507713413 IZTPPRQQNUHKGG-UHFFFAOYSA-N 416.917 1.776 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507957881 XFFIHRVBLOXWGW-DLBZAZTESA-N 407.515 1.347 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1508097821 KZYDKJLAOPWASO-OXJNMPFZSA-N 423.583 1.810 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1509952236 IQBHNBJOPWPUMF-CVEARBPZSA-N 409.498 1.818 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1510340525 BXJXDIRHASYEPO-IRXDYDNUSA-N 404.515 1.359 30 10 HDEE COCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1519416394 YLZJTGONBOGVPS-QGZVFWFLSA-N 421.885 1.902 30 10 HDEE Cc1c(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cnn1CCC#N 1531599658 DIBTZSUPRCQAHE-UHFFFAOYSA-N 401.492 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1539284603 RUAFHCZRHKXHEK-UHFFFAOYSA-N 410.522 1.380 30 10 HDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1539758824 ACBWJZOALUNVQR-GOSISDBHSA-N 424.505 1.179 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N(C)CC(=O)N1CCOCC1 1539775520 NDZAEPJPAKTNEX-CQSZACIVSA-N 401.895 1.050 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1539779115 NOGXXUATUXHOOW-ZDUSSCGKSA-N 408.890 1.411 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540902252 FADMTMHBZWPGJL-BBWFWOEESA-N 412.556 1.634 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541277213 BMRWSRPEYMGKIC-SJLPKXTDSA-N 415.542 1.121 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCS2(=O)=O)CC1 1541993861 FZEFUZXBVXXETO-OAHLLOKOSA-N 408.528 1.295 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CN(C3CC3)C2=O)n1 1543006979 XRELFHFKAFBDCS-VFNWGFHPSA-N 410.526 1.889 30 10 HDEE CN(C)C(=O)CCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1552695598 PVWFDVXKYMFNLL-UHFFFAOYSA-N 411.510 1.979 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1555556338 CMOBULNEECGZPP-DYESRHJHSA-N 414.510 1.988 30 10 HDEE C=CCOC[C@H](NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)C(=O)OC 1556375472 KDPZPEHFACIALJ-HNNXBMFYSA-N 404.467 1.387 30 10 HDEE C#Cc1ccc(C(=O)N2CCC(n3nncc3I)CC2)nc1 1557497614 UJPQOUCJPUTCJJ-UHFFFAOYSA-N 407.215 1.736 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)c1 1558617535 PGXAVTIMSAHMMW-GOSISDBHSA-N 409.529 1.523 30 10 HDEE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC#C[C@@H]1CCCCO1 1558750582 HDTCLDXDEDMCLN-LBPRGKRZSA-N 405.303 1.960 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 1562537388 GACZDJVFBMDATL-CQSZACIVSA-N 416.869 1.966 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531879 ZUWUVGQMVGSQBT-XIRDDKMYSA-N 402.499 1.896 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H](C)C(N)=O)C[C@@H]1C)C2=O 1565538507 URQIGPIXVKCXMU-KCOIQQTGSA-N 408.838 1.627 30 10 HDEE CCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nn[nH]n1 1566226978 IJOZEHBXEMBKHX-AWTNTWDUSA-N 403.487 1.944 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2cc(Br)cn(C3CC3)c2=O)cc1 1568181420 VBSZJOIZIGWNFM-UHFFFAOYSA-N 406.236 1.995 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)C1=O 1568184646 ZVMPDLONCMKWCK-CYBMUJFWSA-N 419.825 1.998 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1570032505 TZXPRRUMOBXNPC-UHFFFAOYSA-N 413.565 1.502 30 10 HDEE CCOCCOc1c(Cl)cccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1583865531 QAGSAMRHQHAMHE-UHFFFAOYSA-N 406.826 1.918 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H]2OCC[C@H]2CC)CC1 1585675513 VPUIWLOJGRNYQU-DJIJXNAKSA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1587639386 LEWHCFKUJVTHBF-ARFHVFGLSA-N 405.524 1.534 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1587998877 MQBSGZLQZKWQNA-FMQUCBEESA-N 408.437 1.604 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@H]1C 1588266752 VCPKKUPWQBIOLK-IXDOHACOSA-N 411.572 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588751220 JOOQFMIKGSNOMI-IPJJNNNSSA-N 417.554 1.358 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1588837377 RRRGRFLMBOXRIA-UHFFFAOYSA-N 401.536 1.242 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1589615025 ITPLJOSCTCVTCO-IERDGZPVSA-N 424.509 1.863 30 10 HDEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(C)(=O)=O)CC1 1594429873 DAGAMFCNKMNHIC-UHFFFAOYSA-N 423.514 1.948 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(C1)OCc1ccccc12 1595466685 LLVKVEZQTUEYNE-JOCHJYFZSA-N 424.505 1.354 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1595523329 UGJKSEUWCJPAPV-GOSISDBHSA-N 413.526 1.189 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1595523330 UGJKSEUWCJPAPV-SFHVURJKSA-N 413.526 1.189 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCC(=O)NC 1595555504 APPRYIAAAKYRLV-UHFFFAOYSA-N 406.437 1.022 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(=O)N2)C1 1595681383 QHMRNOIMNKFBDH-WWMYMODYSA-N 419.526 1.379 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCC2)C1 1595723259 UDDNYOUCJQZNOY-SJORKVTESA-N 424.567 1.778 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1595807635 HYMVMRRZURYSAH-WCQYABFASA-N 407.264 1.978 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc2oc(=O)n(C)c2c1 1596350775 KQGJXIDNSCJTGR-UHFFFAOYSA-N 404.430 1.912 30 10 HDEE C/C=C/C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1611352105 APBIEIWPJIEGGO-VZFYUFDISA-N 407.492 1.518 30 10 HDEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)cnn1C 1611862395 LJNCWEYWXFVKOG-QFIPXVFZSA-N 418.505 1.973 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1617824354 XLRNSQOSKVFSSN-WMQDPJMESA-N 415.498 1.238 30 10 HDEE CS(=O)(=O)NCc1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1623130319 HBRGWBLRYUFIHU-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE COCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCC1 1624061893 HBVVSPLUUGRBEK-UHFFFAOYSA-N 405.520 1.988 30 10 HDEE N#CC1(CC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1625967106 GUDDRLQRBOTBOJ-UHFFFAOYSA-N 405.520 1.914 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC3(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1626551113 RKUFPBVWTFAPBH-ZNMIVQPWSA-N 411.524 1.467 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCS(=O)(=O)C2CC2)C1 1629970995 QAJBLHKUPNJWFD-UHFFFAOYSA-N 412.309 1.450 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](CO)Cc1ccccc1C(F)(F)F 1633523082 YARVYKKIIJNALJ-ZDUSSCGKSA-N 408.442 1.756 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1637159223 ABJZMPPPUHWURP-UHFFFAOYSA-N 403.460 1.342 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1637433714 XQQPUBMWWHJVBC-RTWAWAEBSA-N 409.490 1.529 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C1)C2 1637885108 DVEHVPMSHUCYDV-GFOJFJKKSA-N 410.518 1.867 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)Cc1ccccc1F 1638423690 QNYROOFQTRLAHN-BBRMVZONSA-N 405.451 1.084 30 10 HDEE O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N[C@H]1CCCN(O)C1=O 1641521200 MQNRXYUVQIDWOA-ZDUSSCGKSA-N 423.267 1.016 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 1643519879 JKYODZCVNNNWCF-WRWORJQWSA-N 402.266 1.992 30 10 HDEE Cc1ccc(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)cc1S(=O)(=O)NCC#N 1644067190 UKDMFCJUZOQWQX-GOSISDBHSA-N 416.478 1.723 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C3)[C@@H]2C1 1644240118 YATXGRHMZGTXAK-IMJJTQAJSA-N 415.450 1.541 30 10 HDEE NC(=O)CSCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937362 LVVFVUXPQBFXNN-OLQVQODUSA-N 400.291 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)NC2CCN(CC#N)CC2)C1 1648545007 VNHWWLPNWOYMKR-CQSZACIVSA-N 402.499 1.852 30 10 HDEE COCCCn1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cn1 1648750132 KTYDJFAJHYJDFS-UHFFFAOYSA-N 408.256 1.716 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CCC(=O)c2cnn(C)c2)c(=O)c1C#N 1650978335 ACOIRKNEBJKZDT-UHFFFAOYSA-N 406.240 1.566 30 10 HDEE N#CCCn1ncc(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)c1-c1ccccc1 1653312233 FUMJHWXLLHPQEG-INIZCTEOSA-N 403.446 1.968 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1653661930 BTOHJKXUJTWFGS-ZWKOTPCHSA-N 402.495 1.871 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 1653900075 NNGNSIALSWXRQX-INIZCTEOSA-N 402.348 1.704 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1655326200 CODNFYMULICMDB-TZMCWYRMSA-N 419.322 1.661 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)c(OC)c1 1655747047 HMWBMNOEMMXITJ-QWHCGFSZSA-N 401.510 1.817 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1657840226 JLTYAXHUXCURBT-IYBDPMFKSA-N 421.519 1.477 30 10 HDEE Cc1nn(-c2ccccc2)cc1CCCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1673416777 PPNNVJZIEADBGV-UHFFFAOYSA-N 421.461 1.247 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1676930096 JEACNIZVSZOOPA-AWEZNQCLSA-N 400.292 1.603 30 10 HDEE C#CCN(C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[C@@H]1CCCc2ccccc21 1684782552 KQSGZRHKKAGCPP-OAQYLSRUSA-N 410.518 1.790 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1689842224 WNURJZJFVQCKBM-RLBWVDARSA-N 420.473 1.938 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1689923199 NOLSLNRWDTXXOZ-UHFFFAOYSA-N 404.540 1.557 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1690074030 PJYUMRSDFDIOSC-KRWDZBQOSA-N 412.469 1.566 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)C(C)C)CC1 1690137448 ZCFIPGYLEQMESD-INIZCTEOSA-N 402.543 1.530 30 10 HDEE C=C(C)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OCC)CCOC1 1690297646 ANCNPSKJEJAJRV-NRFANRHFSA-N 413.526 1.931 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2c[nH]nc2C)C1 1690684838 PNDRCIPAYLZHKS-GOSISDBHSA-N 413.526 1.960 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H]([C@@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1692545497 RUFJREICQINVGV-DLBZAZTESA-N 414.466 1.313 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1692851600 FYUWGRJVLMJSCK-APWZRJJASA-N 407.540 1.737 30 10 HDEE Cn1cc(-c2nnc(N3CCN(CC(F)F)CC3)n2Cc2ccc(C#N)o2)cn1 1696854904 VDJSGYYJORFJOL-UHFFFAOYSA-N 402.409 1.579 30 10 HDEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1698220830 MBRHQLRCNHKLRD-GOSISDBHSA-N 403.418 1.030 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1698281840 BRHGQVIKWZBYJH-HOTGVXAUSA-N 409.450 1.030 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705495228 MKRKGPAJOTWDGT-TVKQPGBESA-N 422.551 1.366 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)COC)CC1 1705517973 DIBUNVUWCUDMDQ-UHFFFAOYSA-N 410.522 1.799 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1705852249 XWWOYPKAAFQHJP-JXFKEZNVSA-N 424.567 1.908 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705893816 HILGODOWZSYKIU-HCXYKTFWSA-N 405.543 1.735 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705943489 CCDZNCAQXPRGLQ-HUUCEWRRSA-N 422.555 1.863 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1706072255 BAIMIQYPOIYTBC-ZBFHGGJFSA-N 401.515 1.664 30 10 HDEE CC(C)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706288076 PRXJIEKKPLBHCW-LZICOFPGSA-N 414.510 1.933 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCC(F)F 1712639900 NYNAELGADWLMFL-RVSPLBMKSA-N 403.405 1.726 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCC2)nc1 1722300595 FDAMGFKSWRAVBP-KRWDZBQOSA-N 407.522 1.902 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722373327 LWNFDEIKTBRAGE-KRWDZBQOSA-N 415.519 1.349 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722458031 BWOURYHPHUXPNO-CVEARBPZSA-N 412.519 1.648 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722533651 CBURZUPZBSHPHC-MSOLQXFVSA-N 402.499 1.656 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1723769009 HWHBQZGJIBDHIY-NSHDSACASA-N 418.303 1.961 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2conc2COC)CCOC1 1728795482 QGWKJQOFSYVGRO-RTBURBONSA-N 420.445 1.555 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1740608489 GDRFYTPSQGADLC-SFHVURJKSA-N 407.522 1.978 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC[C@H](C)C2)CC1 1740696262 POHYXDYXQPXYBP-VQTJNVASSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740715956 IEHMJBXAFBJVNX-SJORKVTESA-N 413.551 1.942 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740759763 DSZMYZGZKYEVBQ-QZWWFDLISA-N 410.540 1.387 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1740762826 WBJSFKZNOJXMQS-KURKYZTESA-N 419.551 1.901 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740884782 MTPGHBOXKGRZNN-QGZVFWFLSA-N 400.483 1.192 30 10 HDEE Cc1nccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1742629852 QSMAPVNYAMNJGX-HNAYVOBHSA-N 400.462 1.657 30 10 HDEE CCN(C)C(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1745898127 QDROQPYUWUGGSV-RTBURBONSA-N 408.478 1.239 30 10 HDEE CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1748090326 WTEFAGHEXZVVDR-AWEZNQCLSA-N 403.512 1.135 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1748210706 KHFYLIWMYWIKHZ-KRWDZBQOSA-N 410.409 1.548 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1748836109 PXNRJQYULPGBHD-IBGZPJMESA-N 412.515 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1748984782 QUSAETKBXYUMRR-VGOFRKELSA-N 406.490 1.112 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N2CCOCC2)CC1 1749315885 BACXCSIBDXTIIF-HKUYNNGSSA-N 419.526 1.407 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@H](CC)C1 1749650263 PLDRZVRMAGRNSZ-OAHLLOKOSA-N 408.572 1.831 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1750057641 VVTMSVRQHCLXAT-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1750883531 RTVJGPZVWGNPFD-QFIPXVFZSA-N 407.522 1.873 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1760095439 OSLWZOBHEXAUOC-IBGZPJMESA-N 415.586 1.390 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1760102772 QHICLRCRDHXIBB-NVXWUHKLSA-N 418.519 1.612 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760103650 JSCPTTLJTGOECC-AYAKEVCGSA-N 415.457 1.801 30 10 HDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760139712 MFFGARWFJUKSQV-UHFFFAOYSA-N 407.565 1.816 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1760218430 GOORRHKOMHNJOV-QGZVFWFLSA-N 404.536 1.338 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1 1760248189 CZENAGXBFDQZTH-QGZVFWFLSA-N 403.433 1.836 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ncnn1-c1ccccc1 1760249764 SDTUDFFEVZXOLY-SFHVURJKSA-N 421.505 1.887 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCc2cn[nH]c2)CC1 1760262148 IPYOBZJIYLRBBC-UHFFFAOYSA-N 411.460 1.868 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C)COC2)CC1 1760267197 UZJNHZHBXXOYAU-UHFFFAOYSA-N 423.517 1.956 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760438828 OMTLUAHOTMCZGI-GOEBONIOSA-N 414.514 1.770 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760520674 WHJVKGTXHWJMGW-CQSZACIVSA-N 414.897 1.712 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCOC2)cs1 1762285256 IFPFOZUMEKXQEK-RTBURBONSA-N 402.524 1.915 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1765274901 JBJSJZZIIHCZKG-UONOGXRCSA-N 405.480 1.308 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](F)COC 1767933503 YZJNFVHEDWYODG-MRXNPFEDSA-N 403.462 1.392 30 10 HDEE COC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1769508683 FYRBIFCARWMBOW-CQSZACIVSA-N 420.539 1.821 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1769775727 BRDGPMCTOWPUJP-IBGZPJMESA-N 409.494 1.514 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1770058348 HKRAPGGHMASRQB-QRWLVFNGSA-N 417.466 1.511 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1771348304 BXZNLYDTXIJFPV-CVEARBPZSA-N 405.480 1.656 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2F)CCO1 1771538311 AZWNUEYQMRBUHA-INIZCTEOSA-N 409.425 1.606 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1850221232 CLWCCGRXAOAZAD-GOSISDBHSA-N 424.954 1.845 30 10 HDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1850427704 ZQKBWSHVOHFUOW-UHFFFAOYSA-N 424.954 1.799 30 10 HDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2ncc(Br)cc2C#N)CC1 1851269448 YEFNUIFDWBSUDX-UHFFFAOYSA-N 423.267 1.846 30 10 HDEE N#CCOc1cccc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c1 1851540499 JBUYQHRUHVBZLR-FQEVSTJZSA-N 413.499 1.869 30 10 HDEE O=C(c1cccc(-n2cnnn2)c1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851690033 KSRJGYDDFAHSAG-UHFFFAOYSA-N 402.358 1.537 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)c3ccc(OC)cc3)nc2)CC1=O 1851702444 SQCHJUDCTZFDKP-CQSZACIVSA-N 415.471 1.896 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CC1 1853038348 RYODUYMOTLJSTH-KRWDZBQOSA-N 424.954 1.845 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n1 1853211693 CBUNMJAQKWNEHZ-UHFFFAOYSA-N 402.398 1.531 30 10 HDEE Cc1cc(C)n(C[C@H](C)C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)n1 1853888339 PSNUVAVGUPCSKI-HNNXBMFYSA-N 407.474 1.561 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccncc4F)C(=O)C3)C2)cc1 1854215025 VIVLOSVSGSDLBZ-GOSISDBHSA-N 407.449 1.651 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1 1854379970 IXMHZGZEWGCTIB-KRWDZBQOSA-N 402.428 1.657 30 10 HDEE C[C@@H](CCC#N)N1C[C@@H](C)C(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc21 1854738477 UWOACTVPJJEDGG-CABCVRRESA-N 418.519 1.586 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)CSc3cccc4cccnc34)C(=O)C2)C1 1855010444 PHIWVYLUHWQNTE-SFHVURJKSA-N 423.542 1.986 30 10 HDEE C[C@H]1C(=O)N(C(=O)CN(C)C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)cc1 1855601049 XQSXNLUCUMKYQT-HNNXBMFYSA-N 400.479 1.984 30 10 HDEE Cc1cc(CC(=O)N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)on1 1855910147 ZDZBKMSCNRNEMR-GOSISDBHSA-N 408.462 1.132 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCn1nccn1 1856078976 BEADFWWIRDKXMO-UHFFFAOYSA-N 400.870 1.761 30 10 HDEE CC1(C)Cc2ccccc2C(CN2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)=N1 1856374587 VHGQRNXKPQDEHQ-SFHVURJKSA-N 407.518 1.469 30 10 HDEE CC(C)c1ocnc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856410397 FPULGXIZFXHAEL-AWEZNQCLSA-N 409.446 1.817 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2c(Br)cnc3nccnc23)C1=O 1856488802 LOBUKWCEYBZGLH-LLVKDONJSA-N 403.240 1.374 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540056 HIBPJTSGZXDWSY-PBHICJAKSA-N 419.478 1.353 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)COc3cncc(Cl)n3)C2)CC1 1856939724 WXTHBKZNJKYQIR-OAHLLOKOSA-N 405.886 1.900 30 10 HDEE Cc1noc(C)c1CC(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857071741 SCQKNFGEJMLNCP-SFHVURJKSA-N 408.462 1.050 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)C4CCC4)C3)CC2)CC1 1857122295 KMGSOBXZAZJPIM-KRWDZBQOSA-N 400.523 1.636 30 10 HDEE CCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651546 XUDKHPDDOMESPN-UHFFFAOYSA-N 400.460 1.886 30 10 HDEE N#CCc1ccccc1C(=O)Nc1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 1866214827 LJPMAQZCMCCKLQ-SFHVURJKSA-N 402.410 1.766 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN2CCCC2=O)[nH]c(=Nc2cccc(O)c2)[nH]1 1871713591 DBYVNNKUBWBLGO-UHFFFAOYSA-N 423.521 1.767 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccco1 1874433735 VPTDGZSNQFWODA-CNHKJKLMSA-N 405.465 1.577 30 10 HDEE C=C(I)CS(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1883742293 LKTTZJIBPQZNCV-MRVPVSSYSA-N 419.237 1.328 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)NC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1923787428 BMLYBLDIXKOQGK-LJQANCHMSA-N 414.487 1.868 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010406334 SQUPOWSJRSQHNU-ZDUSSCGKSA-N 418.303 1.971 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1 2174771312 KDRRKHKNHATNKD-SANMLTNESA-N 422.573 1.869 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@@H]1CCNC(=O)OC(C)(C)C 2174782071 MGBJQOWISNHBPZ-PMPSAXMXSA-N 400.545 1.949 30 10 HDEE C#CCN(CC(F)F)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197745143 RROAEDGTSFYXQL-LBPRGKRZSA-N 408.467 1.526 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NCC1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2200859148 ILCQBDWDVKIWPF-CQSZACIVSA-N 400.545 1.397 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217485122 AYJGSCHWYXYPLN-CQSZACIVSA-N 419.287 1.800 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@@H]2C1 2235556979 MMSMBCUXVHELKQ-BZUAXINKSA-N 401.529 1.065 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)C2CCOCC2)s1 2237724580 MBFPZTFRTNLVHS-UHFFFAOYSA-N 401.359 1.954 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2243416632 ICEPRAYVFTWFTK-UHFFFAOYSA-N 415.324 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2243492580 MGGIDTBFUJLPNW-UHFFFAOYSA-N 404.276 1.125 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243667067 DIXMNZZRYQTEMU-CABCVRRESA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2243667068 DIXMNZZRYQTEMU-GJZGRUSLSA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243675246 TYOSSADGMXECIP-GFCCVEGCSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)[C@H]21 2245253033 GKCOJJLECHWHST-GQZKFOEBSA-N 408.304 1.925 30 10 HDEE C[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2247923101 SLMDJKXSABKYHH-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2248405129 OYVHKNCEBFXWBR-OWCLPIDISA-N 420.315 1.904 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COC(=O)C3)cc2Cl)OC1(C)C 2278753442 BJXSHOQDTHJADK-QMMMGPOBSA-N 407.706 1.295 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](C)N(C)C 2282305857 FDNFIGQOOGXEEF-LBPRGKRZSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@]2(F)C[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282321331 VWJOTZCQTLXAKE-SXUIPJSXSA-N 404.338 1.463 30 10 HDEE CC[C@@H]1NCC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282327612 KYNYONWCGFWAIZ-STQMWFEESA-N 400.375 1.775 30 10 HDEE CCC(O)(CC)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501825 CEQRMCOIYGSCQM-UHFFFAOYSA-N 404.363 1.413 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282834565 LKFKLYFGEVZPLG-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H](C)[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834732 XLZYMVPGPKNYFZ-CANCMXDXSA-N 401.359 1.340 30 10 HDEE CC(C)[C@@](C)(O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836765 OSKXKBZMYIFQEC-INIZCTEOSA-N 404.363 1.269 30 10 HDEE CC[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282838283 MAAQPFVVINWNHR-LBPRGKRZSA-N 403.379 1.202 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282839118 ZCPWQPPIVUVQDO-STQMWFEESA-N 401.359 1.938 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282858785 CNQNEIACVVNXFK-KRWDZBQOSA-N 401.359 1.378 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCCS(C)(=O)=O)s2)OC1(C)C 2282860091 VLTHCCBLQWZABA-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282876444 DCUFRRSNWIVPER-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C(F)(F)F)s2)OC1(C)C 2284403383 PMJHCCPVFINZRT-VIFPVBQESA-N 415.220 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CSC[C@@H]1C(=O)O 2284408406 WEJXENBIKQCRHT-SNVBAGLBSA-N 419.355 1.504 30 10 HDEE C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284409308 HLNWBRCQTBVPCN-SNVBAGLBSA-N 401.315 1.674 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C(=O)O)C[C@@H]1C 2284413682 AUEKRGUSMSAQSW-XXFAHNHDSA-N 401.315 1.497 30 10 HDEE C[C@@H](O)CN(C1CCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2288012066 ZQUYTTMDBOIYEI-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288910047 LXBZGSRVIDLPQB-OLZOCXBDSA-N 402.347 1.117 30 10 HDEE CCOC(=O)C(C(C)=O)=C1OC(=O)c2cc3c(cc21)C(=O)[C@@H](C(=O)OCC)C3=O 2293410428 KIMYOBNWXMINQE-CQSZACIVSA-N 400.339 1.279 30 10 HDEE CC1(C)OB(c2cccc3c2CCN3S(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2295338533 YEEGLFYBGFCACK-UHFFFAOYSA-N 421.324 1.584 30 10 HDEE Cn1nnc(Br)c1[C@@H](O)[C@H](N)C#Cc1cccc(Br)c1 2296217066 QFSCQMLIWYAKLA-PWSUYJOCSA-N 400.074 1.753 30 10 HDEE COC[C@H](C)S(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361581526 LUCRPLQSJQXITE-LBPRGKRZSA-N 401.359 1.770 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 2365211624 OLXGOXOXUMSREN-MRXNPFEDSA-N 401.573 1.390 30 10 HDEE C=CCC1(NC2(C(=O)O)CC3(C2)CS(=O)(=O)C3)CN(C(=O)OC(C)(C)C)C1 2379628563 UPQRIALLSAFVEJ-UHFFFAOYSA-N 400.497 1.174 30 10 HDEE CO[C@@H]1COCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2379685001 MTUAZQRTZZNTPT-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE COc1cc(/C=N/Nc2nnc(SCC(=O)OC(C)C)n2N)cc(OC)c1OC 20919718 KZHJDLTVHPVPAY-UFWORHAWSA-N 424.483 1.507 30 10 HDEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(CC(=O)N2CCOCC2)CC1 23366079 OXWTYMSBGAWLJP-OAHLLOKOSA-N 419.913 1.015 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cccs2)CC1 26523694 DUVOOJRYQDWZAG-UHFFFAOYSA-N 404.517 1.878 30 10 HDEE Cc1ccc(S(=O)(=O)/N=C(\O)CN2C(=O)C(C)(C)Oc3ccc(N)nc32)cc1 96496347 AGECQUGCALNURV-UHFFFAOYSA-N 404.448 1.822 30 10 HDEE N#Cc1cnc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)cn1 302284192 LCIXNUBBSXVXDC-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@H](C#N)C1 432928358 REOLVEKBGDEWAV-DGCLKSJQSA-N 401.282 1.610 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 432957128 AGJGBDFCONWVQY-QGZVFWFLSA-N 421.339 1.474 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433556052 XLCMKAGHDUHSAD-WBVHZDCISA-N 419.437 1.849 30 10 HDEE Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(C2CCOCC2)n1 434146291 WEHCJXQZGBINDW-HNNXBMFYSA-N 410.482 1.947 30 10 HDEE C[C@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)sc2C1 434949469 CTUFAUBWJORBAD-ZDUSSCGKSA-N 410.503 1.822 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1C(F)(F)F 435173042 IAURYFACADJZBX-OAHLLOKOSA-N 417.409 1.635 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1 435997657 CMAIOYFOAOBJGA-GQIGUUNPSA-N 408.520 1.950 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc2c(c1)CCCO2 438985944 PJDYAHRDJJRIMA-UHFFFAOYSA-N 402.414 2.350 30 10 HDEE COc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O 443223912 HBILWVJTTQAPQH-PNQRNNEWSA-N 420.491 1.358 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 447363586 AMPGLPJVZYUGTQ-NSHDSACASA-N 423.399 2.422 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(c2cc(OC)ncn2)CC1 462084268 MKVLXUAYRSUFHB-UHFFFAOYSA-N 412.450 1.736 30 10 HDEE CC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 464349021 WSDXQCIPHRUHKD-INIZCTEOSA-N 404.492 1.272 30 10 HDEE N#Cc1ccc(CSCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 477859993 XCADFBZJKUFJOJ-UHFFFAOYSA-N 400.548 1.852 30 10 HDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(=O)n(C)c1 483942069 ITMHGLFSQGPDNC-UHFFFAOYSA-N 415.475 1.104 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1F 488975297 RUAKRYRVMDASEB-UHFFFAOYSA-N 423.491 1.783 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C#N 489692139 QTRKLWITDUJZGJ-PXNSSMCTSA-N 400.504 1.423 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)CC)CC1)c1nc(C(=O)OCC)cs1 501946533 PSELUROLTZWCNO-UHFFFAOYSA-N 415.537 1.901 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@H](C)C1 508798965 ZAFWLKPAZFMADP-OAHLLOKOSA-N 404.540 1.613 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 508920838 KJZZJCMJQHLBRM-INIZCTEOSA-N 409.487 1.573 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@H]1CCCO1 521772494 CWZZTIHYXTUZAI-GOSISDBHSA-N 423.538 1.511 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)ccn2)CC1 524343210 ZYCQHZCAKUUKEY-UHFFFAOYSA-N 404.518 1.663 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@H]1CCCO1 532611524 DGYQJSTUEGLURX-CYBMUJFWSA-N 421.881 1.130 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C1=O 535884084 ADODTQLZBRYKEE-HOCLYGCPSA-N 422.844 1.317 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)cc2)CC1 538588227 ODYLPSABJOBMDR-UHFFFAOYSA-N 410.499 1.852 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCCO 543953239 BXQIOBOJGOOOBG-AWEZNQCLSA-N 403.460 1.543 30 10 HDEE Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c(C)c1 546213838 YZZFSIRUQNJLLM-UHFFFAOYSA-N 420.517 1.755 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC3(CO)CC3)nnc12 555587680 HHGYLADKSQBQQF-UHFFFAOYSA-N 413.503 1.553 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)CC2)o1 558987337 ZYBRHBDORADXSB-SFHVURJKSA-N 409.490 1.887 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C(C)(C)C1 559003651 DMNJKMGAIVHRJL-UHFFFAOYSA-N 404.496 1.515 30 10 HDEE CC(C)(CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)N1CCS(=O)CC1 561152054 SFBHFPLTUZWHIA-INIZCTEOSA-N 406.527 1.483 30 10 HDEE Cc1c(I)cn(Cc2nsc(N(C)C)n2)c(=O)c1C#N 571209876 QNIPKFIYGBQJDB-UHFFFAOYSA-N 401.233 1.599 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@]2(CCOC2)C1 573937930 ZNJLKJZPROFWFI-HXUWFJFHSA-N 418.519 1.920 30 10 HDEE COc1ccc(CN([C@H]2CCS(=O)(=O)C2)S(=O)(=O)CC2(C#N)CCC2)cc1 580741130 KUPJYAILIGMRBH-INIZCTEOSA-N 412.533 1.708 30 10 HDEE N#Cc1cccnc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 585245741 CRWLCORKEBAITA-UHFFFAOYSA-N 412.471 1.641 30 10 HDEE COCC(=O)NC1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 615073794 DIMDHWGNPMULOE-UHFFFAOYSA-N 415.494 1.580 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)c1cnn(CCC#N)c1-c1ccccc1 617509858 NHSVRPKWYSBNID-UHFFFAOYSA-N 401.492 1.571 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 642708490 RRWHVJYYDSFBPI-UHFFFAOYSA-N 414.514 1.494 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)CC1 676147693 LLKWVQDIWXQWFD-UHFFFAOYSA-N 423.386 1.919 30 10 HDEE Cc1nc(NCC(=O)NCC(F)(F)F)nc(NCC(=O)NCC(F)(F)F)c1F 683893404 RUJRQUUQSKIONB-UHFFFAOYSA-N 420.289 1.105 30 10 HDEE CC(C)(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCNCC2)c1 725409940 XJNIIPFKZWPELE-UHFFFAOYSA-N 424.372 1.757 30 10 HDEE C#CCN(C(=O)COc1ccc(Oc2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 729331320 BNSUVDHVNUGAPX-INIZCTEOSA-N 400.456 1.902 30 10 HDEE C#CCN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)[C@H]1CCS(=O)(=O)C1 731340631 UUPWIRKUEKMCLN-AWEZNQCLSA-N 418.496 1.844 30 10 HDEE COc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 731904565 LCSWTASDISPAPN-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCC1 732496501 XAKHMCHAAPHHFC-HKUYNNGSSA-N 408.458 1.230 30 10 HDEE CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)n1 732707335 YAJHIQRILQMSRT-GOSISDBHSA-N 420.473 1.549 30 10 HDEE CN(C)c1ncc(Br)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 733260478 HFXVOWUTXIEPTN-DTQAZKPQSA-N 408.256 1.166 30 10 HDEE C[C@@H](O)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 736199143 OYIXRZPVRZLABH-OAHLLOKOSA-N 407.536 1.905 30 10 HDEE C[C@H](C#N)CNC(=O)C[C@]1(C(=O)NC[C@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 742253086 IAXXKISSBVEAEI-STXHMFSFSA-N 405.499 1.555 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C#N)cc2C)C1=O 748416292 GEUUYPAJNNYKHD-JOCHJYFZSA-N 420.425 1.912 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=Cc2c(Cl)nc3ccccn23)C1 749795608 MOISVYWUOYRUTA-OAHLLOKOSA-N 407.902 1.811 30 10 HDEE C[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 750050451 KJHJOUJJDDLUST-WWYBLAPGSA-N 422.485 1.194 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 751597095 RAJUXVAXXCQIGD-GHXNOFRVSA-N 423.454 1.856 30 10 HDEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1)c1cccs1 751687404 MTWGXCJSVGSBMC-WFVLWAEFSA-N 424.592 1.966 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(NN=CCN2C(=O)c3ccccc3C2=O)nc1 755635701 FOUFYWPUXWTIRU-UHFFFAOYSA-N 415.475 1.852 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CC)c2)c1=O 758050589 QUVSRFMMNLVZNA-UHFFFAOYSA-N 418.478 1.154 30 10 HDEE C#CCN(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774247306 XCHSTNYMMQKZMQ-HNNXBMFYSA-N 415.556 1.902 30 10 HDEE C#CCN(C(=O)N[C@@H](CC)CS(=O)(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774254280 JNOLSAWYJFVMDV-JKSUJKDBSA-N 412.533 1.071 30 10 HDEE COC(=O)C(C)(C)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 778190339 WZRPICNSTCHHJP-MRXNPFEDSA-N 407.474 1.793 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1CCO 778940401 DLBNUEMBTLHKGM-UTKZUKDTSA-N 406.486 1.806 30 10 HDEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCN1C(=O)COc2ccccc21 780058669 GZMDIEHACGQGKO-HNNXBMFYSA-N 422.441 1.848 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCc1csc(CS(C)(=O)=O)n1 780176155 NAAIEGBTWMUUHO-MRXNPFEDSA-N 402.494 1.993 30 10 HDEE Cn1ccnc1[C@@](O)(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 780398640 OVQBTLQGHDNXHE-IRXDYDNUSA-N 418.416 1.938 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NS(=O)(=O)c1cnn(CC2CC2)c1 781726754 UGSOGZWMLRYWMG-UHFFFAOYSA-N 403.464 1.320 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@H]2CCOC2)C1=O 784125319 IJCXZWDYSBGHGI-LRDDRELGSA-N 405.476 1.910 30 10 HDEE C=CCNc1ncc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)s1 786004036 PLLYAXMYAJGTNG-UHFFFAOYSA-N 407.521 1.351 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3cnc4ccccc4c3)CC2)o1 788987789 DRZRXGLVOULFAZ-UHFFFAOYSA-N 419.441 1.837 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)n1 789321278 WIXNRQBOHRZIDM-INIZCTEOSA-N 418.519 1.395 30 10 HDEE COCC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccccc1 790164110 LMHSACTYIAASNK-UHFFFAOYSA-N 403.508 1.480 30 10 HDEE C#CCN(C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 792505916 ZUEXVUPQTJIMAH-LLVKDONJSA-N 402.831 1.920 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12 800257330 CLWWOJMJRIJRMH-VFJBDQBDSA-N 414.421 1.553 30 10 HDEE Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800727930 TVYVEPMKGBUAQM-OAQYLSRUSA-N 420.565 1.356 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 803596191 DFTKDKNLTJSZCX-VEVIJQCQSA-N 413.471 1.479 30 10 HDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1cc(C#N)ccn1 807275285 NKGBFNJNUNUOCJ-MRXNPFEDSA-N 415.494 1.979 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)CC1 813695485 BKTMBMADHMTXCC-UHFFFAOYSA-N 413.503 1.409 30 10 HDEE C[C@@H](OC(=O)CC1(C#N)CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 815413614 XYHHTYNNYJNJMT-CQSZACIVSA-N 421.475 1.272 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CC3(C#N)CC3)CC2)cc1C 815415809 CZHIIEMFZXAXRY-UHFFFAOYSA-N 419.503 1.373 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCNC3=O)cc2)c1 1136126146 LUARVPAYTRWQQW-UHFFFAOYSA-N 402.407 1.905 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(C)(=O)=O)CC1 1136148601 CISPMEAUIHFICG-CYBMUJFWSA-N 409.936 1.563 30 10 HDEE CCC(=O)N1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1137513918 OVHWXYKBEJVQQU-AQZMIJIOSA-N 404.511 1.900 30 10 HDEE C=CCNC(=O)CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1152532006 JAVJMTUMDDPANF-UHFFFAOYSA-N 403.298 1.421 30 10 HDEE Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157885073 ONMKHJQUFJDABF-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE COc1ccc(CNC(=O)c2cccc(C#N)c2Br)cc1S(N)(=O)=O 1160572684 PMPPMACTJFFQII-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE CCOC(=O)c1n[nH]c(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1161164752 VXVGPZDQYHDSNX-UHFFFAOYSA-N 405.455 1.248 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3ncc(C#N)c4ccsc34)CC2)cn1C 1162763509 SIVMGFMNPJMKSE-UHFFFAOYSA-N 402.505 1.721 30 10 HDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC1(C#N)CCOCC1 1256341559 OKIQJMABEGJVQY-INIZCTEOSA-N 410.515 1.974 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N(C)C 1286272824 DPPZRRGBLNHVFM-AWEZNQCLSA-N 415.494 1.907 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1286363043 MVQDBJULFVWURA-UHFFFAOYSA-N 421.299 1.387 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(F)c2)CC1 1286479839 OGZBLBDKWPYFJA-QGZVFWFLSA-N 412.469 1.180 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCO2)CC1 1286494404 NSQOEGOFESMYHY-HXUWFJFHSA-N 422.533 1.799 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286644953 OSEZGARAEDNGKR-OAHLLOKOSA-N 407.540 1.743 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(CC(=O)NC)CC1 1286784773 SXSBXJWQRMPWNM-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)C1 1286799139 RSCAUMNQLMSTBS-ZWKOTPCHSA-N 419.526 1.491 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1286832687 XPLWNHVVMJWURE-CABCVRRESA-N 415.585 1.519 30 10 HDEE C=CCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1298020953 OWVCEPUNNWVHEN-HNNXBMFYSA-N 402.900 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CC[C@@](O)(CC#N)C3)CCC2)CC1 1299890153 QEVIXLIZBUFRIV-IBGZPJMESA-N 407.511 1.796 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1300481973 CRBUEMORPBGZFC-ZWOKBUDYSA-N 422.551 1.366 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1300630299 AJLKHJUCTWZQGF-GOSISDBHSA-N 421.567 1.961 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)N(C)C 1300663516 DPDXWSKZWFQGFF-OALUTQOASA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC[S@@](=O)C(C)(C)C 1300673611 RSCJNYWARCAXKE-MUUNZHRXSA-N 403.552 1.897 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300997693 YCENEYNHAOOCGT-HUUCEWRRSA-N 405.455 1.107 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301196759 JHUKMZIFVDHDFA-HOTGVXAUSA-N 424.571 1.446 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301435844 WEKABZDXORMPCZ-UHFFFAOYSA-N 410.522 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCCO1 1301497471 XSHFMNGHNXKXKX-CQSZACIVSA-N 423.477 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301577840 OOJWSNNLAFLHLZ-SJORKVTESA-N 416.551 1.614 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1302291149 CGJCBIBDCHCFER-LLVKDONJSA-N 414.413 1.605 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC(C)C 1303410930 BVWCXZXANLSLBZ-KRWDZBQOSA-N 412.494 1.981 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1303496352 IEUVLJRVBQLRQP-MNEFBYGVSA-N 409.462 1.176 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1303770860 DXDJIQOVYWPGSW-RHSMWYFYSA-N 419.507 1.101 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303973173 FXYSVHWLBMJVEF-VLGSPTGOSA-N 411.466 1.415 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCSCCCO)C2 1304774338 IBFDNIHGIYXRHK-UHFFFAOYSA-N 424.534 1.853 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cs1 1306036481 DPVHSBSTDQMGPK-CHWSQXEVSA-N 408.553 1.986 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@H]3COC4(CCOCC4)O3)C2)nc1 1312370011 CHXNVVMDSCNDGU-SJORKVTESA-N 401.467 1.461 30 10 HDEE CS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316349613 LFPTZDNDIFADRC-FGTMMUONSA-N 415.519 1.918 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCOC2)C1 1316532639 RYHIHGSVGHLERN-RBUKOAKNSA-N 407.396 1.740 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC1 1316536092 LJNFZYQXEPRHFP-DLBZAZTESA-N 407.540 1.737 30 10 HDEE CSc1ncc(Br)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1333836483 FTDMYFXKAWZSJK-QBFSEMIESA-N 412.269 1.217 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1 1356026606 PNKFLQGARKMVOQ-RTWAWAEBSA-N 406.442 1.058 30 10 HDEE CC(C)[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)N1Cc2ccccc2C1=O 1357282287 FZYDRXQAXWSJQI-KRWDZBQOSA-N 408.462 1.737 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1358928299 ZEEWQYAJTWXODE-NRFANRHFSA-N 405.462 1.709 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1358941519 NIOCCSBLUXNFGF-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358953015 HXMBWPPQELASQZ-FQEVSTJZSA-N 418.519 1.093 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358957492 VFLOJOURUAFSMW-ROUUACIJSA-N 417.535 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@@H]1C 1359026367 VQXUZAVHTQYXQM-VGOFRKELSA-N 424.505 1.143 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1359055682 MFWMHVRYWIYAFW-IBGZPJMESA-N 424.574 1.871 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1359059847 BVPFFIKYAJRASC-MRXNPFEDSA-N 401.540 1.208 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)CC1 1359179522 XIALGLOFQMCBOW-INIZCTEOSA-N 421.567 1.628 30 10 HDEE Cc1oc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1S(=O)(=O)N(C)C 1437635450 DKPQIISUXSRHDR-UHFFFAOYSA-N 408.505 1.734 30 10 HDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(OC)c1OC(F)F 1439618209 VYVYUMCNIWXANI-GTNSWQLSSA-N 416.402 1.316 30 10 HDEE C[C@H]1CCCc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n21 1441008331 HJFPURUWJRAXHI-HNNXBMFYSA-N 413.503 1.799 30 10 HDEE CCOCCOC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1441620745 IMVGWKWNAANXEQ-UHFFFAOYSA-N 409.508 1.536 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(O)(COCCO)CC2)CCCN1C(=O)OC(C)(C)C 1455923347 DQOGOYJMCSIJKY-OAQYLSRUSA-N 412.527 1.695 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]3CCNC(=O)[C@@H]32)CC1 1460697516 ZKVROHYMMXLUEJ-YFVAEKQCSA-N 413.497 1.135 30 10 HDEE C=CCOc1ccc(CNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)cc1 1463673942 ATIBIHCLCWUVFE-UHFFFAOYSA-N 401.428 1.996 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1464377285 GEOCYEBGQNUHJC-ROUUACIJSA-N 412.508 1.271 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C(C)=O)nc2)ccc1F 1469202535 HDQNQHZREVDYAO-UHFFFAOYSA-N 406.439 1.920 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1471083530 PKTCMGLHQPJCMA-XZOQPEGZSA-N 404.470 1.872 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 1471335674 GTXZSOHLANWYEN-SFHVURJKSA-N 404.536 1.190 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1472228537 QZKPDYKDABPRDI-UONOGXRCSA-N 418.512 1.035 30 10 HDEE COC(=O)[C@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCOC1 1472399458 ILVPLOSMJLISCS-IAGOWNOFSA-N 408.495 1.579 30 10 HDEE CN(C)C(=O)O[C@@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1475318464 FZAOUJUKJRKUTG-GFCCVEGCSA-N 402.270 1.782 30 10 HDEE CN1CCC(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)(c2ccccc2)CC1 1479158297 MXCQMDZZVOOODO-UHFFFAOYSA-N 422.489 1.050 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1503746937 KRPFOVLQFUAYNK-CEXWTWQISA-N 424.505 1.319 30 10 HDEE COCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504805956 YBNOHTXLPLXVET-UHOSZYNNSA-N 418.542 1.605 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1507632178 XWSWHSQRDPRRLZ-XIRDDKMYSA-N 420.514 1.444 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507635652 ULCVBXFBKKCBBU-OAHLLOKOSA-N 408.549 1.328 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CC1(O)CCS(=O)(=O)CC1 1507700686 UOKGSQNQGBAIRW-UHFFFAOYSA-N 406.483 1.305 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCO[C@H]2CCOC2)CC1 1507724570 SLVANSJGOJVFIG-FQEVSTJZSA-N 410.522 1.215 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(C)COCCO2)CC1 1507742775 PXFAIWFWIUKXFH-OAQYLSRUSA-N 403.527 1.248 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)CC1 1507881685 SXQNLQBKPJEWPZ-LJQANCHMSA-N 413.469 1.856 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1508038789 KGZRVAKEYPMANR-UHFFFAOYSA-N 406.575 1.670 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1508138058 VFQLCNZXBQYMRR-ARFHVFGLSA-N 405.524 1.593 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1514410670 POZUFWCKDFMCSV-PBHICJAKSA-N 414.507 1.243 30 10 HDEE CO[C@@H](Cc1ccccc1)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1517785683 DLTPAEOBLCLESR-ZWKOTPCHSA-N 405.462 1.722 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1521114670 IDDJMPSQMMKEDQ-HNNXBMFYSA-N 401.496 1.442 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1528304973 IEMFACWBKKWBHI-HXUWFJFHSA-N 415.538 1.306 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cnnn3-c3ccccc3)C2=O)cc1 1529898496 FHAHWGOVGKVLJM-KRWDZBQOSA-N 415.413 1.983 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCO2)cc1 1536663205 ISISYNOKCQHRLL-GOSISDBHSA-N 408.370 1.974 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C)c2ccc(Br)cc2)C1=O 1538854322 FVVLRVZVONYKQG-LLVKDONJSA-N 408.252 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1538976832 PXBQLMMWTGBGEU-IIBYNOLFSA-N 415.494 1.686 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1539014576 RNCILZZXACUTKY-MRXNPFEDSA-N 410.526 1.388 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1539058972 KYZQTAQGAHGKRV-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1ccc2c[nH]nc2c1 1539331810 ZGOVECBSVFSNSW-UHFFFAOYSA-N 415.501 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCO1 1539421800 YMVWTQBLUVQCAN-INIZCTEOSA-N 417.535 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1539423338 XWAMZWRYXXMHIG-INIZCTEOSA-N 419.526 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N(C)CC(=O)N1CCOCC1 1539640828 JZJGMTQBUIFPEZ-LPHOPBHVSA-N 407.515 1.091 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1539674944 KIVKTPVJTCLVTP-IBGZPJMESA-N 421.476 1.832 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1539811886 JIQOZUICCZEJKA-UHFFFAOYSA-N 410.931 1.857 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)C1=O 1539963923 FCSCAPVTRGMADW-KZNAEPCWSA-N 403.454 1.981 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1540869034 ABFBAMQSNRRIKB-ARFHVFGLSA-N 416.526 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C[C@@H]1CCOC1)C1CC1 1540900745 GJRONQRPFHVXGO-INIZCTEOSA-N 419.551 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540903244 BHAPWAQMGMJGAF-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1541513043 FYMOXMHPMHJTDR-HZPDHXFCSA-N 415.542 1.910 30 10 HDEE COCCN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1542331211 CQFADUCBFFRAKE-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1545546045 JGHZXBDMOPZICX-WBVHZDCISA-N 424.571 1.029 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)N1CCOCC1 1555633305 OJCQXHSATDLNCK-ZWKOTPCHSA-N 420.558 1.853 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)OC)c2OC)cc1 1557338441 SKVGLZXNADFAOS-UHFFFAOYSA-N 402.428 1.646 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCCCN1C 1558689043 ICUNSDLVIBBTCA-WBVHZDCISA-N 406.552 1.740 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(=O)OC 1561511765 ATMRXWODERBJSI-LLVKDONJSA-N 409.819 1.288 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1564846677 APNWGMYEXNIZNB-IBGZPJMESA-N 402.495 1.406 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)s1 1569885467 STYKEHZYDPANJF-AWEZNQCLSA-N 411.549 1.226 30 10 HDEE C#CCN1CCC(C(=O)NCCCC[C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1572742923 PCFBYQOLQKCQDP-RTJUMIHMSA-N 401.551 1.546 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCS(=O)(=O)C1 1587926981 OGGNWUJVXOOCDQ-OAHLLOKOSA-N 410.503 1.839 30 10 HDEE CS(=O)(=O)C1(C(=O)N[C@H](C#N)c2ccccc2Br)CCOCC1 1587957487 BJNRCYWKPGFAIU-CYBMUJFWSA-N 401.282 1.724 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1588034445 GFFQCYAVIOVRQK-OALUTQOASA-N 419.526 1.655 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1588628690 MZSFYNPNIFLHSH-QGZVFWFLSA-N 421.509 1.224 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CSCCS2)CC1 1588806458 RCUCKHLJKVEHJO-OAHLLOKOSA-N 401.565 1.339 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCO[C@H]1C 1589615030 ITPLJOSCTCVTCO-KKSFZXQISA-N 424.509 1.863 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1589708626 REQGPLPJLNGTOX-CYBMUJFWSA-N 401.533 1.300 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1593636375 JWPVPGOXLAUSST-LSDHHAIUSA-N 413.544 1.048 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCn2ccnc2C1 1595266429 FWHHQDYOQYWOSJ-KRWDZBQOSA-N 413.526 1.612 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)C1 1595789852 CTBRFCLVZOGHBU-JKSUJKDBSA-N 401.511 1.850 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CC2)C1 1611764999 CGQQGWFAYZEBAF-GOSISDBHSA-N 420.539 1.221 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1615908918 LGUUBYBQHASQIV-ZDUSSCGKSA-N 415.498 1.764 30 10 HDEE CCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1617184736 JKQMERAFFOFMRL-OAHLLOKOSA-N 423.477 1.440 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN3Cc4cccc(C#N)c4C3)C2=O)cc1 1619411052 QMTGUIQXXFDPAO-JOCHJYFZSA-N 419.441 1.381 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CCCS2(=O)=O)cc1 1622886550 KBXSWGPZHYLXPR-HNNXBMFYSA-N 415.537 1.582 30 10 HDEE N#CC1(CC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)CCOCC1 1630550452 HZICOAACHHLMPP-UHFFFAOYSA-N 405.520 1.244 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 1634555310 VDUCXLFMAVFFGH-LBPRGKRZSA-N 417.300 1.819 30 10 HDEE C#CCN(C(=O)c1ccc(C(=O)NC)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818222 NYCCPBFDQURTMQ-UHFFFAOYSA-N 400.479 1.916 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1635732424 CAEXTPJSXQUKRX-OAQYLSRUSA-N 412.582 1.580 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1636958962 JCNIBJHICSLFGW-OAHLLOKOSA-N 411.466 1.576 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3C[C@@H](N(C)C)CC[C@H]3C2)s1 1637381547 VRWZRJUFCXKEOV-XHSDSOJGSA-N 411.593 1.944 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C2 1639105919 UZKACRHFNDINRH-IPMKNSEASA-N 415.515 1.510 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cn1 1640012758 KOOVRYBAGCEWDQ-NGFQHRJXSA-N 408.380 1.118 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1640016271 UOPWVARDIHLFEG-UHFFFAOYSA-N 418.357 1.694 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1640924428 LTKALOSIYVGAFE-FUHWJXTLSA-N 418.465 1.134 30 10 HDEE CCCOc1nc2ccccc2cc1/C=C/C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033543 CUZRWNOILWOASA-BQYQJAHWSA-N 419.441 1.987 30 10 HDEE CC(C)[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1641813442 DMHWMBXEXYUQKJ-LJQANCHMSA-N 409.490 1.580 30 10 HDEE CN(C)C[C@@]1(O)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1643209195 XRNQLCKPYVNNHL-NRFANRHFSA-N 413.478 1.548 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]12CCCN(CC1)C2 1644053492 AZTGUGCYKBOVDX-OAQYLSRUSA-N 418.563 1.888 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1 1644437793 JVTZXRJWLDERLV-LLVKDONJSA-N 402.341 1.439 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)C(=O)OCC 1648779440 LOZRABAQICRBFN-PWNZVWSESA-N 403.932 1.903 30 10 HDEE CN1C(=O)c2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc2C1=O 1651221324 WGQCJCRKPWIBBQ-UHFFFAOYSA-N 407.382 1.430 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1653604198 ZZTJYYRNABNZET-CABCVRRESA-N 415.437 1.675 30 10 HDEE Cc1cc(C#N)cc(C)c1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1653689872 PPQNNHSMOOUICA-UHFFFAOYSA-N 402.476 1.374 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)n1 1663733755 AQDQRGNIFBMSDA-UHFFFAOYSA-N 406.533 1.693 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1663918486 AYZJYLJQYWJVAN-TZMCWYRMSA-N 419.400 1.870 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C(=O)OC)C1 1664135607 PDFLQPCARYVPIP-ZDUSSCGKSA-N 415.309 1.612 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(CC(=O)N3CCN(CC)CC3)cc2)nn1 1669613418 RUWCTRIUUPIKNP-UHFFFAOYSA-N 411.510 1.492 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1670860360 KVMAGDOAYHMRJE-INIZCTEOSA-N 423.514 1.670 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1672354197 ZVGUXYFYHMJTPW-PKOBYXMFSA-N 418.453 1.992 30 10 HDEE Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N(C)C 1672525671 MTQWQVXXLCAISL-RDTXWAMCSA-N 410.478 1.387 30 10 HDEE C=CC[C@@H](CO)CNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1682378177 TUYOZSWJDQGXGQ-HXUWFJFHSA-N 416.566 1.842 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1684280584 NHCKSBXPLJNQNL-UHFFFAOYSA-N 420.517 1.946 30 10 HDEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1684557167 FPAGTWJBBJLWKU-IAGOWNOFSA-N 416.588 1.660 30 10 HDEE C#CCN(C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)[C@H]1CCCc2ccccc21 1685495926 COQDOSDTROUCPC-INIZCTEOSA-N 401.492 1.572 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCO1 1686286210 KAQIUEHQAQHYPH-HNNXBMFYSA-N 405.398 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1689834028 VOCJKTFPIPOZMB-NSHDSACASA-N 414.329 1.928 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1689946021 MATGSRFGQNSWCG-MRXNPFEDSA-N 404.540 1.484 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CN1CCCC1 1690092668 QRSFUCSJRXETAA-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1COCCO1 1690106359 SDGQSXGSTQLYGT-LJQANCHMSA-N 409.490 1.783 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1C(F)(F)C12CCC2 1690106427 VTLCDLGJQPQCGS-HNNXBMFYSA-N 407.465 1.922 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NCc2ccccc2)CC1 1690134718 COXAEWHLVJHIFR-HXUWFJFHSA-N 422.533 1.591 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nncn2C)CC1 1690414862 NZCNMOSVCLRFHZ-UHFFFAOYSA-N 412.523 1.849 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1690484910 HBHHUUALCVGLIN-MRXNPFEDSA-N 422.511 1.128 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1690660383 GJDSGPHQLAMRDR-UHFFFAOYSA-N 403.508 1.331 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690747262 WZMXBDFPBKIQCD-OAHLLOKOSA-N 418.571 1.928 30 10 HDEE CCCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1695442069 FRPLXKWGCGNAKV-UHFFFAOYSA-N 415.523 1.536 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1695501406 WJLHCJMTYDMIFY-GOSISDBHSA-N 401.402 1.774 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1697096479 NZMRACGCILYOIU-UHFFFAOYSA-N 424.505 1.965 30 10 HDEE COCC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697954672 YEMZZZOLWGJPPE-UONOGXRCSA-N 422.511 1.264 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705524626 PYLYPKYPCIZMAD-KXBFYZLASA-N 411.572 1.943 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705528393 FBUQOLAAGFJXJL-UHFFFAOYSA-N 422.533 1.339 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1705531555 NSZDSAJQSSCPTO-HNNXBMFYSA-N 419.489 1.307 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2OCCC2(C)C)CC1 1705652535 CQZLDCLBQZUDAU-QGZVFWFLSA-N 403.527 1.596 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705700331 RYXQDSKKOPQRAG-OWSLCNJRSA-N 424.567 1.777 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705783624 NVKXJLGEFFDJHE-UHFFFAOYSA-N 423.565 1.830 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2snnc2C)C1 1705916403 KFYMXBXGIOAWFN-HNAYVOBHSA-N 420.539 1.920 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1 1705949071 NMGLHBOCSPWCII-UHFFFAOYSA-N 406.537 1.125 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1711238375 BQAKLINGPQEJJH-IGGDJGDASA-N 423.477 1.482 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1712168514 DXSZJTHJFHUHPM-JKSUJKDBSA-N 400.414 1.442 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1717130073 YLVZVZMATRXGTQ-IYWGDAJJSA-N 401.551 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722299610 JDYGNNOMIZXGRY-LIRRHRJNSA-N 406.483 1.016 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1722356968 NYFVLQYDDJABAY-UHFFFAOYSA-N 403.508 1.271 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1722371731 LCYRYTKSRCYMBP-SFHVURJKSA-N 414.531 1.215 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nc(C)cs2)CC1 1722433448 VSCGGABXKIIHIU-HXUWFJFHSA-N 416.551 1.499 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1722461047 ONEGSDMQMYVOCL-UHFFFAOYSA-N 410.547 1.737 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOC 1722485245 YUXQGRGABMFDOT-GFCCVEGCSA-N 407.334 1.562 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC)C1CC1 1722648016 GHVFIRHAJYWRPL-UHFFFAOYSA-N 405.480 1.378 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCCC1(C)C 1722680760 YQXIQHLNPBEZCR-OAQYLSRUSA-N 405.543 1.981 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1723003664 SZNWEVGWEHOWQP-LSDHHAIUSA-N 406.487 1.426 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2COCCO2)CCOC1 1723679959 WSRUDPAHMBUTDH-GHTZIAJQSA-N 419.526 1.864 30 10 HDEE N#CCNC(=O)CN1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1724509359 VDWXHVCLKQCFKK-KKEPMVJESA-N 400.523 1.000 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)NC(C)C 1727632870 MZFCZKZFFOJBAG-MSOLQXFVSA-N 416.551 1.912 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1730829365 DMPIAHWYEHHAGV-YWZLYKJASA-N 404.515 1.610 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740560227 FEPRAYAYFKEODB-OAHLLOKOSA-N 401.536 1.987 30 10 HDEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740573347 BLUCPZQECIRWLF-UHFFFAOYSA-N 413.530 1.006 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740589661 DTCRRQLAMJQCHV-MOPGFXCFSA-N 416.570 1.622 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1740638778 PTLQKQKXIFOQKS-LJQANCHMSA-N 420.517 1.525 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1740654415 JGGUDRBXMPVSRW-UHFFFAOYSA-N 413.547 1.940 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740665706 NGVHBSTXJWBHSI-MRXNPFEDSA-N 417.535 1.695 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N(C)C 1740726313 XIWYPHAYWGUYIA-RTWAWAEBSA-N 403.527 1.789 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F)C1CC1 1740909970 FDQKAAOTCBCNTB-CQSZACIVSA-N 421.498 1.948 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1740948689 YDNBANQMBZSBIZ-HDICACEKSA-N 416.570 1.912 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747839083 CDXWQGSUHMOVLY-HOCLYGCPSA-N 419.507 1.698 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1748906608 WOYMWIPVHLEKFT-UHFFFAOYSA-N 424.553 1.411 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1748907714 ZWPDUGIOVFSFBJ-HNNXBMFYSA-N 412.485 1.232 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccc(F)cc1 1748959078 MVIXEJBITMGNTA-NRFANRHFSA-N 412.469 1.811 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)C1CCCCC1 1748968752 KCBCWHYNQCOREB-JOCHJYFZSA-N 417.554 1.818 30 10 HDEE C=C(C)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1749207651 PIEPXNHZDKJWBN-NRFANRHFSA-N 403.527 1.955 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749366700 KACQITOSVGENJY-KRWDZBQOSA-N 416.570 1.785 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1749487709 GWWCQGGNUDTSCM-IIBYNOLFSA-N 413.526 1.614 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CCC)C(=O)C1 1749658794 PHEAOQRUWNTFNA-UHFFFAOYSA-N 400.483 1.597 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCOC1 1749660918 WERNNKZBZAPFEH-HNNXBMFYSA-N 413.478 1.491 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749668598 ASBAFOVXDAFGPV-RTBURBONSA-N 413.522 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[C@H](OC)C1 1749736216 GPCQDLZFTXZJLK-FUHWJXTLSA-N 419.551 1.726 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@](C)(O)C2CC2)CCOC1 1751018388 NRJHTEAQMNCDBH-HSALFYBXSA-N 407.490 1.922 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1760098531 TXTOCADMKCBFHS-HZPDHXFCSA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1760174251 JEQIGIUMQJCJBB-HZPDHXFCSA-N 421.498 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1760207254 CDDPCUQENZVWHS-VQTJNVASSA-N 405.458 1.341 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C)N2CCCCC2)CC1 1760260622 ZQAYHAQUMBAIFA-IBGZPJMESA-N 408.554 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCC[C@H]2C)CC1 1760269205 BJIBYYBEILQDCJ-IEBWSBKVSA-N 414.554 1.232 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1760294512 ZDTRTIGOTHCXPU-SPYBWZPUSA-N 405.524 1.189 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760327381 GNTBRTQEYSGSIK-ZJOUEHCJSA-N 419.570 1.954 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760348817 NCFKNJADKCKXNL-KRWDZBQOSA-N 416.526 1.308 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760448399 BHHRPKJARBAGAZ-LJQANCHMSA-N 405.524 1.881 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C1 1760534696 DWJHYMMOCVNIDH-ZIAGYGMSSA-N 410.500 1.014 30 10 HDEE Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1762203279 HMPXOLMHACPGEW-QGZVFWFLSA-N 411.510 1.851 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 1770202306 ORQWBZKTIAQVID-CLWJZODNSA-N 423.489 1.640 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCC1 1771111238 CXOYLSYMGSPHNI-UHFFFAOYSA-N 416.482 1.677 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1851416126 WAULDTUIEAANMV-KGLIPLIRSA-N 411.384 1.697 30 10 HDEE N#Cc1c(-c2ccccc2)ccnc1C(=O)N1CCN(CCn2ncccc2=O)CC1 1851811627 HKPQTJUYPVZHCA-UHFFFAOYSA-N 414.469 1.635 30 10 HDEE N#CCCN1CCN(C(=O)CCON=C(N)c2ccc(OC(F)(F)F)cc2)CC1 1853476590 OBNGMGUQDNKDHJ-UHFFFAOYSA-N 413.400 1.670 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCc4cc(OC)ccc4C3)C2=O)CC1=O 1853874518 QJXDVXLDWHPWJY-UYAOXDASSA-N 411.502 1.605 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)C(=O)C1 1853948696 RKRRAYZQFRVUIF-UHFFFAOYSA-N 411.483 1.941 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854048410 GCEQHSCMWNGPNA-MSOLQXFVSA-N 403.504 1.127 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCN3CCCCCC3)C(C)(C)C2=O)CC1=O 1854381458 BYACDTHXDJUEDG-GOSISDBHSA-N 404.555 1.346 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)[C@H]4CCOC4)C3=O)CC2)c1 1854420101 ZJNTYXIJGRPCOD-RBUKOAKNSA-N 412.490 1.598 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@H]1C 1854736496 YQURUQAWASWOES-HUUCEWRRSA-N 416.547 1.794 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)c3cn(-c4ccncc4)nn3)C1=O)CC2 1855022968 MMQAMIAYERRFPP-MAUKXSAKSA-N 405.462 1.419 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855226861 VXAYFZSIXRIAAJ-HOTGVXAUSA-N 402.520 1.465 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(C(=O)c3coc(C)n3)[C@@H](C)C2)CCC1=O 1855826009 XGVQNWOVICOHHD-RDJZCZTQSA-N 402.495 1.861 30 10 HDEE CN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4ccc(C#N)cc4)CC3)CC2=O)CC1=O 1855875304 SNXKXGWWXJGQCK-VQTJNVASSA-N 408.502 1.624 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn(C(F)F)c2)CCN1CCOc1ccc(C#N)cc1 1855879133 KMBHMZMZVFAMHX-CYBMUJFWSA-N 403.389 1.902 30 10 HDEE N#CCCN1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 1856132250 DGOXPGGGYSWUHD-UHFFFAOYSA-N 416.503 1.484 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1856450915 CSLYRVHWTBCCTM-KRWDZBQOSA-N 406.508 1.304 30 10 HDEE Cc1cc(C)n(CC(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)n1 1856459629 MVXCLEHEIDDIQE-IBGZPJMESA-N 406.490 1.774 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)Cn3nnc4ccccc4c3=O)C2=O)CC1 1856535834 CFGGXLLGKHUFNH-LJQANCHMSA-N 409.490 1.741 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(C3C(=O)CCCC3=O)c3ccccc32)CC1=O 1856590293 RJZSURSTQBCMGA-AWEZNQCLSA-N 409.442 1.091 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)O2)CC1 1856672093 QSSJODAHVKVVME-WDEREUQCSA-N 415.365 1.190 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1CCCCO1 1856900943 VCPWKQCLUDSLNR-QGZVFWFLSA-N 405.476 1.596 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042138 SEYFMJRCRCUZBV-RDJZCZTQSA-N 419.503 1.394 30 10 HDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)[C@@H]1CCCO1 1870112024 MBRXBFXYRLFJGL-AWEZNQCLSA-N 400.351 1.090 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(C[C@H]3COc4ccccc4O3)CC2=O)nc1C 1872724918 YMODCTOKXQIMMS-LBPRGKRZSA-N 415.471 1.980 30 10 HDEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1889889107 PXLPVDJYIFLZKE-GOSISDBHSA-N 411.502 1.614 30 10 HDEE Cn1ncc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 2074368311 RCLBLXGIFGVHAJ-YPMHNXCESA-N 413.320 1.627 30 10 HDEE C#CCn1ncc(NC[C@@H]2CCCN(C(=O)C(F)(F)F)C2)c(Br)c1=O 2106099454 NQHCCRFVLAOZOB-JTQLQIEISA-N 421.217 1.852 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC(C#N)C2)C[C@@H]1CC(F)(F)F 2176104778 PFKMLEDRCDPOMW-LBPRGKRZSA-N 412.434 1.560 30 10 HDEE C#CCN(C(=O)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180137198 IZATXBXULRBYMG-CHWSQXEVSA-N 408.467 1.526 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)CC2(C#N)CCCCC2)C1 2183269021 IWEOFUYFMJQSPN-LSDHHAIUSA-N 401.529 1.750 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)CCC(F)(F)C(=O)OCC 2196997489 NYGXXQWTQGYJGF-UHFFFAOYSA-N 414.471 1.965 30 10 HDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H](C)NC(=O)OC(C)(C)C 2243384102 KBIUFTZXPOSKNO-NWDGAFQWSA-N 408.308 1.740 30 10 HDEE COC(=O)[C@@H](CC(=O)NCC=CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243684473 AFCGXSUIQWWJCS-CYBMUJFWSA-N 412.292 1.747 30 10 HDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247918740 MXRAVQLLUYPSLL-UHFFFAOYSA-N 420.319 1.648 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248062376 ZSESFFATNCNCNU-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1(C)C 2248433848 RJOBGSMMBNTXRE-SZNDQCEHSA-N 422.331 1.792 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)cc2)OC1(C)C 2255876577 DEOYRWAMMQFAMJ-LSDHHAIUSA-N 424.228 1.973 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCCC4(C3)OCCO4)c2)OC1(C)C 2282296645 DOMDLIBGZVOCEX-OAHLLOKOSA-N 424.328 1.345 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@H]4CC[C@H]43)cc2Cl)OC1(C)C 2282313652 NZFRQBZLSPGHSN-NWDGAFQWSA-N 418.777 1.826 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@@H]3CCNC3)cc2Cl)OC1(C)C 2282315672 QVPNNXPGNNMDBD-NSHDSACASA-N 420.793 1.979 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282321173 TVXROEPEDJXJGD-NWDGAFQWSA-N 404.338 1.416 30 10 HDEE C[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)N(C)C1CC1 2282330793 FGUIPSQUHMMJMA-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282587699 AUMWUCBIASZMDO-VXGBXAGGSA-N 401.359 1.941 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282603989 NKSQSHRZPLDFRB-GWQKEKGPSA-N 400.375 1.965 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282832861 SNGPCHGLJMVWJF-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE CN([C@@H]1CCNC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282837634 FUGUUQXIWAGANR-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282849532 CLPWKZKFPBLGJT-FRRDWIJNSA-N 400.375 1.807 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(C)CCCNC2)OC1(C)C 2282850087 KUQNPBYWHZQYQC-QGZVFWFLSA-N 400.375 1.715 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NN2CCOCC2)c1B1OC(C)(C)C(C)(C)O1 2282871000 AGPOAFFUYTZBIT-UHFFFAOYSA-N 402.347 1.190 30 10 HDEE CN[C@H](C#CP(C)(C)=O)C1(O)[C@H]2COC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2285832167 XFULZJWYXKYURV-SVZJZCNZSA-N 400.456 1.839 30 10 HDEE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)C=CC(=O)c2cccc(OC)c2)c1 2320941060 UVJLHCGXLATBDV-CYBMUJFWSA-N 411.414 1.759 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362563716 GOBVRGVORAMARE-WDEREUQCSA-N 402.347 1.336 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccc(C(F)F)nc1 2365824369 QSCBYYMXHVXSRY-TZMCWYRMSA-N 403.451 1.636 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790194 GHRABZFPVORZJN-QWHCGFSZSA-N 415.537 1.306 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367802695 DLMDOQUIENQMLK-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2367809948 RZTOCLMOFQTVMH-BZUAXINKSA-N 400.541 1.306 30 10 HDEE C=CCc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1O 20207846 KVIALTRVXYIHLH-OOJRFANJSA-N 420.472 1.751 30 10 HDEE N#C[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130060959 XNZAIZWAFYSIRS-PELKAZGASA-N 420.228 1.960 30 10 HDEE C[C@@H](Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)C(=O)NC1CC1 253569259 MDBACHIAIWPFCT-XUNMKLQISA-N 420.411 1.826 30 10 HDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(\C)Cl)c1ccc(O)cc1 254849433 SEHZTPTUSRFRDN-JUKORQEQSA-N 416.869 1.540 30 10 HDEE Cc1cc(N2CCN(CCN3C(=O)CCC3=O)CC2)n2c(nc3ccccc32)c1C#N 301123787 WXGBBFWDXOZQPE-UHFFFAOYSA-N 416.485 1.939 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473451203 BXCWTOGCNUYLLO-WMZOPIPTSA-N 413.455 1.572 30 10 HDEE CSc1nc(O)c(C(=O)N2CSC[C@H]2C(=O)N2CCSCC2)cc1C#N 476796816 XWTNEUJCBVTJGN-LBPRGKRZSA-N 410.546 1.471 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 487059925 PDUYPOVGQRWWPB-RTBURBONSA-N 419.489 1.417 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)CC1 489213275 FDAZDOJHLDIFNL-UHFFFAOYSA-N 408.499 1.262 30 10 HDEE Cc1ccncc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 500689748 WEYDRTRMRRMQCE-INIZCTEOSA-N 413.503 1.277 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(CS(=O)(=O)c3ccccc3)c2)CC1 503611701 PJFBLCCNEWGAPY-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE CN1CC(=O)N(CCCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 503687051 CSXXNOKCVKYSMJ-HNNXBMFYSA-N 415.475 1.072 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCO3)c1=O 522675681 KQAKJWFTXYGRQX-UHFFFAOYSA-N 402.859 1.701 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 524567821 CBYXDKRGJQLTEV-GHTZIAJQSA-N 414.506 1.011 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525266054 GJFPWMXPWMYZCP-UHFFFAOYSA-N 416.462 1.228 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(F)c1 530380136 GLKRXEFBKBQSJO-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)Cc1ccon1 530934889 AOGFZHQAXLLYEQ-KRWDZBQOSA-N 406.464 1.185 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 532894261 JWBHWFOSFKHQBD-IBGZPJMESA-N 424.549 1.736 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@@H]2CCO)CC1 540548323 DWOZETXFCAIAIQ-RBUKOAKNSA-N 406.527 1.334 30 10 HDEE COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](C)n1cnc(C#N)n1 540604321 HPONOAPHTCBVKZ-SWLSCSKDSA-N 413.434 1.417 30 10 HDEE CCN(C(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 542932898 XRSFTHVLNDDTMM-HNNXBMFYSA-N 421.910 1.845 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCO2)CC1 549891284 DFDPRVUBIIOYGL-GOSISDBHSA-N 402.543 1.539 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)CC 563771504 VHRLHIZBLXLSTJ-IBGZPJMESA-N 408.524 1.443 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc3cc(C(=O)OCC)ccc3n2CC)CC1 588954723 INYBFHXERUKOMV-UHFFFAOYSA-N 413.522 1.653 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C)N2CCN(c3ncccc3C#N)CC2)cc1OC 598930398 XTKGFKLVQHJQHV-KRWDZBQOSA-N 423.517 1.840 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 603785866 AKPKYYOBJRKUND-UHFFFAOYSA-N 408.458 1.461 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1C 609737573 PAOSOGFSXNDTGH-KRWDZBQOSA-N 415.519 1.844 30 10 HDEE COc1ccc(C(=O)N2CC[C@@](F)(C#N)C2)cc1S(=O)(=O)NCc1ccccn1 615609457 USLCCDQEDGLGFZ-LJQANCHMSA-N 418.450 1.646 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669804565 JTKHIQJEFATLPE-FXAWDEMLSA-N 409.538 1.905 30 10 HDEE C#CC[C@@H](O)CNS(=O)(=O)c1cc(Br)sc1Br 717870417 YPHYPYUSDNHVBE-ZCFIWIBFSA-N 403.117 1.936 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(C(=O)N3CCCC3)CC2)C1=O 725768922 PEBGWAXTLGSALZ-JOCHJYFZSA-N 409.490 1.617 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccoc2)c1=O 727416397 OBLRJBCFFCKLGF-UHFFFAOYSA-N 403.529 1.381 30 10 HDEE C#CCN(C(=O)CSCC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 729332319 MRTOPLZRBFLMMJ-MRXNPFEDSA-N 400.566 1.160 30 10 HDEE C#CCN(C(=O)c1nn(CCCCC)c(=O)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 729332412 YKGKQEVUWLKYGP-MRXNPFEDSA-N 415.515 1.849 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 729333872 AWWCLQQBOSXCTE-HOTGVXAUSA-N 421.494 1.719 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)CCC(=O)N2CCOc3ccccc32)cc1 731735289 ANVGIAHSDZETNB-UHFFFAOYSA-N 407.426 1.923 30 10 HDEE COc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)cc1 731902146 WPCQKOKWJASVHA-HXUWFJFHSA-N 416.503 1.700 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 732493767 UUNDYDWVXUAJKI-UHFFFAOYSA-N 413.502 1.130 30 10 HDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740175146 ALSLHBQMFGNGPP-LJQANCHMSA-N 416.455 1.993 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccc(C#N)cc1 740232301 ORFJSCPNPBOYNP-LJQANCHMSA-N 407.382 1.787 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 746190241 FVXQUDIGIFQUOI-FCQUAONHSA-N 424.501 1.597 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 747980454 VKMLJSVDZAJJLG-CQSZACIVSA-N 406.508 1.290 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CCC(=O)OCC)CC2)cc1 749075617 XITBNEZEGYBAGV-UHFFFAOYSA-N 406.504 1.794 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)[C@H](C#N)C1 749521634 VNHWZGPNZKEGQE-CYBMUJFWSA-N 413.434 1.074 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1 763613673 FPJLHIXUDWTRRV-HNNXBMFYSA-N 424.482 1.127 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 770675070 MTVPKLYJJDZINP-LJQANCHMSA-N 414.506 1.092 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1)c1cc[nH]n1 772358450 QXUSJMORYWZDKM-GFCCVEGCSA-N 420.857 1.137 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@@H]1CCOC1)c1cc[nH]n1 772518036 MVQPNCIZTFYPAD-CRAIPNDOSA-N 400.435 1.588 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 780835445 VQCKAQDOXYKUMX-UHFFFAOYSA-N 414.462 1.984 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)s1 780953313 WFFOWOIOZREMLM-MRXNPFEDSA-N 400.460 1.574 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 781824171 MJGDPQYEYLZWTC-HEHNFIMWSA-N 419.511 1.682 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)Cc1cccc(Br)c1 786977817 FYCMJUJIGSJZFE-PFONDFGASA-N 414.281 1.395 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 788815225 WBCJYJUCBFBRHO-IBGZPJMESA-N 417.554 1.959 30 10 HDEE C[C@@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 790671516 PJEMORNNMBERPP-BLVKFPJESA-N 403.822 1.695 30 10 HDEE C[C@H](Sc1nncn1C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790867647 AFHZNAFMIGBISA-QMMMGPOBSA-N 419.410 1.691 30 10 HDEE N#C[C@@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)N1CCS(=O)(=O)CC1 797949568 XHSZTFIEYMQMBX-RYBZSIHZSA-N 400.428 1.536 30 10 HDEE Cc1ccncc1N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 799156738 XUGVIIQGPSMYMT-UHFFFAOYSA-N 404.474 1.806 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 801073894 LUPLIMUKDSMHQD-KRWDZBQOSA-N 408.462 1.344 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C 805146492 ISDBIHUTHRCJTK-INIZCTEOSA-N 400.522 1.034 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCCSCC#N)[C@@H](C)O)cc1C 805326271 BXZKWZHUYDHFTR-GDBMZVCRSA-N 400.522 1.521 30 10 HDEE Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 806782117 VDKYMMPUFLHIJC-LCPUNJGISA-N 412.490 1.976 30 10 HDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC)[C@H]1CCS(=O)(=O)C1 812035422 TWVCXYISHLIXQQ-HNNXBMFYSA-N 402.476 1.363 30 10 HDEE COCCn1cc(C=NNc2nnc(SCc3ccc(OC)cc3)n2N)cn1 1084046582 GMBUAVGUYWWWFE-UHFFFAOYSA-N 402.484 1.582 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1116541176 ANZSQLCNVMTMIB-MRXNPFEDSA-N 411.462 1.732 30 10 HDEE C=C[C@@H](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1124605300 WPYQTWCTAUJTOJ-ZDUSSCGKSA-N 400.522 1.970 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[C@@](C)(C#N)C1 1131512640 JHTOHBAOROLJOH-FQEVSTJZSA-N 420.535 1.397 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1133096614 DGVYPMBEDYHBMS-WKILWMFISA-N 406.504 1.638 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OCC)c2ccc(F)cc2F)C1=O 1133615888 PGEUPWZETAEFJF-AWEZNQCLSA-N 423.372 1.052 30 10 HDEE CC(C)NC(=O)CSc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134274874 CTBCAKAOSMUVSJ-LIRRHRJNSA-N 421.544 1.314 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1134279946 SXLBZWBHCYIOKN-SLUIBLPYSA-N 423.535 1.420 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1135915443 LRPPLDJQVWSKOK-UHFFFAOYSA-N 418.450 1.643 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCCN2CCN(CC)CC2)c1 1136649286 OSUBATKORXOICV-UHFFFAOYSA-N 405.564 1.631 30 10 HDEE C#CCN1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1136861782 LETCFYBCDHUUPK-UHFFFAOYSA-N 417.575 1.791 30 10 HDEE COC(=O)c1cnc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1142655637 NUFUJTVJCYWANC-SECBINFHSA-N 411.436 1.857 30 10 HDEE C[C@H](CC(=O)N[C@@](C)(CO)c1ccc(O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1143498562 GZBFXNOVSLZJHT-XCLFUZPHSA-N 417.487 1.233 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 1146569762 HGGZDARYHHUWBN-JXFKEZNVSA-N 400.435 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 1147667972 SLJPUSNAWMYKMF-UHFFFAOYSA-N 424.523 1.517 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)cc1 1156072945 PPSNVIRKPVUIMQ-UHFFFAOYSA-N 418.906 1.609 30 10 HDEE Cc1ccc(NC(=O)[C@@H](C)N2CC(C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1169872100 GTLYAPBZIPHGMM-OAHLLOKOSA-N 406.508 1.188 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1203183944 ULTGDUWTPMHGNK-BBRMVZONSA-N 415.450 1.280 30 10 HDEE C#Cc1ccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)cc1 1217240822 SAXNZYZZMRAJTF-UHFFFAOYSA-N 417.487 1.923 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCC2 1233852147 KDOHLAHACGQCDJ-FVQBIDKESA-N 415.494 1.821 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(CC)nn(C)c1OC 1286377550 ZKZRUGQPVWSECM-UHFFFAOYSA-N 418.505 1.939 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286389413 JORSNNBHKLZNDA-MRXNPFEDSA-N 417.535 1.436 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1286481370 USWIFSDYEMCFSR-FQEVSTJZSA-N 422.533 1.335 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)CN(C)C)CC1 1286481857 JJLONLWLBMBRNV-UHFFFAOYSA-N 415.611 1.977 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1286514867 QZIDVIVVXWNVSE-RTWAWAEBSA-N 416.595 1.944 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1286703290 IBWQPMJOUGYXKN-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C2CC2)CCC1 1288825504 GTYIHLDTHGHJKI-SCLBCKFNSA-N 410.519 1.911 30 10 HDEE COCCN(CC(=O)N(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1292958724 NHWRZKBLSPWGNH-ZGOJQLDESA-N 422.526 1.336 30 10 HDEE COC[C@@]1(CO)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1298046178 CTCMMCBASGUTPH-SFHVURJKSA-N 408.296 1.614 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@@H](C)CC 1300302710 CXXUXAALTLGTET-KBPBESRZSA-N 400.483 1.769 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1300309009 ROAJSFHLHHLMRU-RYUDHWBXSA-N 410.487 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCO[C@@H]2CCOC2)CC1 1300723378 TUHOZJPJXMOXAM-GOSISDBHSA-N 401.511 1.317 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1300805918 LFLZKRIKRXWVGW-RDTXWAMCSA-N 405.549 1.872 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301058617 DPIVIIIUMVQZPK-MRXNPFEDSA-N 409.918 1.957 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(CS(C)(=O)=O)CC2)C1 1301553962 VUQMXVVYQFLYAJ-HNNXBMFYSA-N 405.524 1.879 30 10 HDEE COCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301730128 QFVFKDHUJVDDLP-UHFFFAOYSA-N 422.493 1.386 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(COC)CCOCC1 1302099282 UETOQCOMAWIQMF-DLBZAZTESA-N 423.514 1.174 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(COC)CCOCC1 1302099284 UETOQCOMAWIQMF-IRXDYDNUSA-N 423.514 1.174 30 10 HDEE CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)Cn1cc(C#N)c(O)nc1=O 1303363572 NXFQIJXYJKRENE-UHFFFAOYSA-N 407.471 1.364 30 10 HDEE Cc1cccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1304514640 FSXBUDYJHZQAGV-GOSISDBHSA-N 410.478 1.630 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 1307697600 HJIXFIHCDWVPPB-LJQANCHMSA-N 411.414 1.534 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CC[C@@H](Oc2cncc(Br)c2)C1 1307880382 CDUQEYJYRKRFNP-OAHLLOKOSA-N 406.284 1.953 30 10 HDEE CCOC(=O)c1nc(N)nc(N2CCN(CC#Cc3cccc(Cl)c3)CC2)n1 1308131843 KRPVSRQBRRCDEX-UHFFFAOYSA-N 400.870 1.458 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1313112016 CZZVQNMFLKGXEZ-XHSDSOJGSA-N 413.540 1.606 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1316208245 BKESWDMVARVEGL-COEMCCDRSA-N 411.528 1.032 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nccs1 1316208566 FPPDFOBDMYEHPE-LSDHHAIUSA-N 406.512 1.820 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1359000520 XTWIKCGMPIJTET-ZDUSSCGKSA-N 410.569 1.664 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)CCC)CC1 1359044418 FSXUYEKUXLUAMM-XMSQKQJNSA-N 417.554 1.689 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359052035 RWVNILOUTMYGMM-UHFFFAOYSA-N 423.564 1.685 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1359065091 IKJGDSIGMWAMJY-PWIZWCRZSA-N 422.551 1.357 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC2CC2)CC1 1359294244 OUKHDNYIOGHRAK-UHFFFAOYSA-N 410.522 1.788 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)C1 1359319489 AFWDETVHTAQCIV-XAZSVGOPSA-N 407.540 1.312 30 10 HDEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1359344303 SDFSCVVGOPBIBE-QGZVFWFLSA-N 419.526 1.878 30 10 HDEE C=CCc1cc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)cc(OC)c1OC 1437766443 HULBIBAJAYJQMK-ZBFHGGJFSA-N 405.447 1.999 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(COc4ccccc4F)on3)C[C@H]1CS(=O)(=O)C2 1439612211 HDKNLQIVQWCDSK-SGTLLEGYSA-N 405.407 1.403 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1450055356 KCXRWAHWZSNCMW-MCIONIFRSA-N 424.523 1.643 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1454674617 DADPLOGFHUHYDM-FQEVSTJZSA-N 401.467 1.106 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 1455603741 DLFZCPCQNOHTNB-FVQBIDKESA-N 420.491 1.010 30 10 HDEE CS(=O)(=O)C1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CCCC1 1463659444 GNPMZRNDCKYZKC-UHFFFAOYSA-N 421.338 1.956 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(F)c2I)CC1 1465872807 ZPZVCEIEXODQAT-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE C=CCN(C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1)[C@@H]1CCS(=O)(=O)C1 1466796639 XKOJKKQXWLVOKR-CQSZACIVSA-N 406.464 1.258 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 1470213648 HJSGFDVWCDPWRK-YJLNNSPDSA-N 415.519 1.486 30 10 HDEE Cn1c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc2cc(Cl)ccc21 1478497800 MTJTUNVYTNITFS-GTNSWQLSSA-N 407.883 1.306 30 10 HDEE CCOCc1nnc(N2CC[C@H](N3CCN(CC)CC3)C2)n1Cc1ccc(C#N)o1 1503062294 VCJONLINCNBDKS-KRWDZBQOSA-N 413.526 1.544 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCC2)cc1 1504312230 BPDFRKUEKBBPME-SFHVURJKSA-N 413.478 1.900 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504752219 OPFGQNQDSMLLNH-HXUWFJFHSA-N 400.483 1.724 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)n1 1507524773 DBWZCUVIMKZOOW-OAHLLOKOSA-N 407.478 1.936 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCN(C)C2=O)CC1 1507596451 JZKPIGFMOGRESY-ROUUACIJSA-N 415.538 1.864 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507631210 MTCYMEVCTFWWFQ-SJORKVTESA-N 412.519 1.718 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(N)=O)c2)CC1 1507724430 PATLTWRMWIWHLW-UHFFFAOYSA-N 415.501 1.166 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCCC2)CC1 1507737089 ZGDBGYWQAHOXKW-UHFFFAOYSA-N 409.538 1.345 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1507803653 HZDYKKBAOCKUKZ-YLJYHZDGSA-N 410.522 1.947 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1507839969 ICPFEAXNGMQLSD-OAHLLOKOSA-N 413.478 1.933 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507984219 ZQQHJPWLWWPHAP-JYJNAYRXSA-N 422.555 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCOCC1 1508075062 VSQNRTRIOOKNQL-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1508146921 DKTXDAFJLBLSPQ-KRWDZBQOSA-N 420.583 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1C(C)(C)C 1508149271 SSDIYUWLFYUSEU-AWEZNQCLSA-N 424.527 1.446 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1508742784 KPRDDVWBNJFFAM-QFIPXVFZSA-N 410.522 1.889 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1513408080 GXWRGSHDJBXFFX-CVEARBPZSA-N 406.531 1.986 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1517577539 RXRWSKVVNWJIIU-QFIPXVFZSA-N 421.505 1.400 30 10 HDEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1518220885 DQHRSSVQGKUVIW-GOEBONIOSA-N 414.441 1.348 30 10 HDEE C[C@H]1CN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1520778953 UCBBUMKDWAPCAI-ZDUSSCGKSA-N 404.496 1.529 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCc3ccc(C#N)cc32)CCS(=O)(=O)CC1 1527834808 PQQARAGSQPQWNU-UHFFFAOYSA-N 404.488 1.984 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCO[C@@](C)(C#N)C3)nn2)C1 1536619952 VQQLARHYNHCLDM-KUHUBIRLSA-N 404.471 1.605 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnn(Cc4ccccc4Cl)c3)C[C@H]1CS(=O)(=O)C2 1538308506 IVWGFXGUZCMIJS-YJBOKZPZSA-N 404.879 1.595 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539133518 ZNHYNPMLNGJSIO-JOCHJYFZSA-N 411.554 1.854 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1539288292 CKWGFEALEZFUHR-QFIPXVFZSA-N 405.458 1.607 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1539350535 OWYDZKRERAZAQA-UHFFFAOYSA-N 412.519 1.898 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539428630 VEHOCHIGGBVLOR-MOPGFXCFSA-N 415.586 1.292 30 10 HDEE N#Cc1cccc(C2(NC(=O)CCCS(=O)(=O)N3CCCC3)CCOCC2)c1 1539535436 JEENLGGXZFKGDR-UHFFFAOYSA-N 405.520 1.886 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)CC1 1539612804 QGDZAGPFRUKPDQ-ZWKOTPCHSA-N 420.558 1.166 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539819732 HOSOJYKHKLTHMD-AWEZNQCLSA-N 402.890 1.944 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540042829 RXESJCKHJBBOTN-DJPFJPOOSA-N 419.526 1.311 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1540084511 VZVJHTSCTDZFDZ-CQSZACIVSA-N 400.449 1.907 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1540862459 BQWMRHTZXSKYHA-UHFFFAOYSA-N 402.459 1.650 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCCC2)CC1 1540873314 UPPKTNJLDIBWIC-UHFFFAOYSA-N 409.538 1.631 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1543267621 GHTWZGJXVHAGLZ-MLBPIDQTSA-N 413.540 1.665 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)o1)S(C)(=O)=O 1546179926 BIXSACKHINRPPC-UHFFFAOYSA-N 421.454 1.322 30 10 HDEE Cn1cc([C@@H](CO)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1547439386 FPKGCBYTWWFFCL-OAHLLOKOSA-N 404.268 1.340 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCCC2)CCO1 1555992616 XDHAVQGVTGVYRW-SFHVURJKSA-N 416.526 1.982 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 1557199050 JPSWNUMRHLVLJE-USXIJHARSA-N 421.519 1.889 30 10 HDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1557251476 FKVZLYMLWSAPEX-NOLJZWGESA-N 422.407 1.969 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c(OC)c1 1557801729 HCYHWFMBTNOSBL-SFHVURJKSA-N 422.547 1.524 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1557989056 VOBUEFRGVZGZEM-NSHDSACASA-N 421.397 1.287 30 10 HDEE C[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)s1 1558806058 CCMOESRJULNPBQ-MRVPVSSYSA-N 409.265 1.832 30 10 HDEE Cn1c(N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c(C#N)c(=O)n(C)c1=O 1559247767 RZBRONGXNMRCMA-UHFFFAOYSA-N 420.448 1.936 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CCOCC1 1559487816 ORHUKPWXVZUIOJ-LJQANCHMSA-N 410.518 1.926 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CC(N)=O)C2)n(Cc2ccccc2)c1C 1560043562 DCDQGYORZBSHTO-GOSISDBHSA-N 409.490 1.540 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 1564651515 ICIGOEJISUKZAJ-INIZCTEOSA-N 400.888 1.068 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1564913573 OMSQPBDDVSQAJN-IBGZPJMESA-N 409.552 1.867 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1583811451 DLBWHMBMUULBND-IBGZPJMESA-N 401.488 1.591 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)Cc2cccc(OCC#N)c2)C1 1584013275 GRLMWWASRCOHFA-OAQYLSRUSA-N 414.462 1.775 30 10 HDEE C#CCN1CCCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 1586493680 BRSDSPQWAPDMAK-UHFFFAOYSA-N 418.563 1.586 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1587765360 FNEHMVAMYLGWPE-INIZCTEOSA-N 407.540 1.089 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893778 HZXAXWGBRMGHGT-YLJYHZDGSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1587974891 DYFGVLMRWAONOC-UHFFFAOYSA-N 407.478 1.271 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588065344 XDCROYFVMQULJU-QGZVFWFLSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@@H]1C 1588114021 YVWLHSOEZQAARF-ZHRRBRCNSA-N 408.458 1.329 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCS(=O)(=O)C1 1588200579 WLGTXBLYZHSJDH-OAHLLOKOSA-N 417.922 1.891 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nnn(-c3cccc(F)c3)c2C(F)(F)F)CC1 1588261156 DCUFUZZGCGMZBR-UHFFFAOYSA-N 410.331 1.623 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCN(C)CCOC)CC1 1588779800 DEDWPQOBPJRJIM-UHFFFAOYSA-N 416.957 1.932 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCOCCCO)CC1 1588929473 ANCJHNIPGRFDAE-UHFFFAOYSA-N 403.527 1.301 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1593741029 IPHSPAOLGYJOMP-CVEARBPZSA-N 400.487 1.255 30 10 HDEE COc1nsc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1Br 1596092776 HHNZLFPRTRERIL-SECBINFHSA-N 423.296 1.927 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1597705930 WDRGAKPTWPRFMZ-SFHVURJKSA-N 407.474 1.415 30 10 HDEE Cc1cn(C(C)(C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nc1C(F)(F)F 1607498717 XYVRPNOHQDOLAF-UHFFFAOYSA-N 410.356 1.163 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@H]2CCCC23CCOCC3)c1=O 1614780777 CPIUYUMHOFLDKI-MRXNPFEDSA-N 403.479 1.820 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1618479613 FZOWTEKJCIJOPC-INIZCTEOSA-N 407.478 1.010 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CC(=O)NCCC2=CCCCC2)CC1 1620610549 WYOXGBBJXAYEMV-HXUWFJFHSA-N 403.571 1.617 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1 1622886407 FDFAIYAZEWJTLN-UHFFFAOYSA-N 404.492 1.895 30 10 HDEE N#Cc1cccnc1NCCNC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1625769750 BPUHGNIIDANOFB-UHFFFAOYSA-N 413.503 1.654 30 10 HDEE CN1C(=O)C[C@@H](NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1626121827 ZJMMYOWCTWAOOI-WBVHZDCISA-N 412.446 1.266 30 10 HDEE CC1(C)CN(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1627332157 ALZUHODBQWLYGQ-HNNXBMFYSA-N 404.898 1.792 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NN1C(=O)NC2(CCCCC2)C1=O 1629012015 LSZDMDVHWFUBHK-UHFFFAOYSA-N 421.251 1.985 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CC2)nc1 1629976566 OXYQVWZSZKUEMW-HXUWFJFHSA-N 402.458 1.779 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)C1 1631331075 RIKWERPOBYILHD-SFHVURJKSA-N 416.478 1.713 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN(C)C(=O)OC(C)(C)C)s1 1631999783 SEHYUOIJPXOQST-UHFFFAOYSA-N 417.553 1.738 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN([S@](C)(=N)=O)CC3)ccc2c1=O 1633980432 FZGJUJFKHDOALH-MHZLTWQESA-N 407.521 1.221 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc3cnccc3s2)cc1 1634364257 NVXSWVDNOLGDNY-UHFFFAOYSA-N 401.473 1.813 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ccn1 1635744572 GCCVKIMIVDISFV-KRWDZBQOSA-N 400.460 1.341 30 10 HDEE O=C1[C@H](NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCN1O 1636352984 PNNSOMAUXIUDLJ-CQSZACIVSA-N 415.899 1.428 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@@H]2c2ccc(Cl)cc2F)CC1 1636480041 JSXFJRGLUJTVHJ-GDBMZVCRSA-N 413.902 1.585 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1)C1CCOCC1 1637128941 SYKKAMKVFVQSKP-ZWKOTPCHSA-N 409.527 1.818 30 10 HDEE C#CC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)OC 1637697031 LRJLHDYQPVSDRJ-GOSISDBHSA-N 417.506 1.694 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1643513428 XMSVKNBCRBHAEK-INIZCTEOSA-N 406.487 1.157 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2c(C#N)cccc2[N+](=O)[O-])CC1 1644507799 VODNYVMZNSBGPJ-UHFFFAOYSA-N 415.475 1.697 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ncc(C#N)cc1Cl 1645565026 XWIBRUIWPDZAJS-GOSISDBHSA-N 410.858 1.335 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cc(-c2ccccc2)n[nH]1)c1cc[nH]n1 1648529487 QYXBYVUSYZWRQG-UHFFFAOYSA-N 410.434 1.742 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)c1cccc(CC(=O)OCC)c1)c1cc[nH]n1 1648690158 ITAVWUBEHCJCNX-UHFFFAOYSA-N 416.434 1.462 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1649543890 RTQUYEXRTJJYNM-UHFFFAOYSA-N 403.483 1.950 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)COc2ccc(Br)cc2)c(=O)n1C1CC1 1653013809 OQKJCVIZUAPPNY-UHFFFAOYSA-N 418.247 1.936 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@H](Cn4ccnn4)C3)ccc2c1=O 1654734582 FPBGHJRJGKQOLW-AWEZNQCLSA-N 412.475 1.004 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCNC2(c3ncc(Br)cn3)CCC2)nc1 1654875489 PHKKMOKMGRROPC-UHFFFAOYSA-N 422.308 1.948 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCC[C@](C#N)(c4ccccn4)C3)cc2C1=O 1655280786 OBWLRHMPHCMAQE-JOCHJYFZSA-N 403.442 1.803 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H](CO)C1 1660112461 HSSLDXVJGZVXQB-MRXNPFEDSA-N 409.508 1.246 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC)CC2 1660940364 MYEJXNQTMGWZCJ-OAHLLOKOSA-N 412.533 1.350 30 10 HDEE COC(=O)C1(NS(=O)(=O)c2cc(Br)ccc2C#N)CCOCC1 1663941007 BBSHLMRWYYHREJ-UHFFFAOYSA-N 403.254 1.321 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 1668796559 JANUPMQYHVEPGT-UHFFFAOYSA-N 415.899 1.904 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1672648818 MYIBSXXOHBUTSF-QUCCMNQESA-N 402.495 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@@](O)(CC#N)C2)CC2(CCOCC2)C1 1675993079 IPLIXZSKBCSGKT-KKSFZXQISA-N 422.526 1.853 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1680708774 GBVGBELYLGYXDL-HYJFEMIMSA-N 403.504 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)NCCn1cnc(C#N)n1)C2 1682197037 NCPJRPOPBQBOGZ-LJQANCHMSA-N 403.487 1.725 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@]1(C)COc2ccccc2O1 1683016136 VXTWREWKPQLDGM-QVKFZJNVSA-N 408.462 1.798 30 10 HDEE N#Cc1csc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 1685522127 XQGDZCKBBNVKSO-UHFFFAOYSA-N 423.495 1.760 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1686036005 MONQSFHGVUPGQS-TXJVSEOTSA-N 402.520 1.087 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1686623121 JGOGZVGFUKXKKH-VCBZYWHSSA-N 406.483 1.232 30 10 HDEE N#CC1(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CCOCC1 1687829859 HXKKXMSGKKXESH-IUODEOHRSA-N 409.430 1.458 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1689826805 VACYLVGQAGWCNO-HZPDHXFCSA-N 410.588 1.611 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689998146 CRCURRUPGHRIBR-FGTMMUONSA-N 423.583 1.487 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1690019425 IKNRQEYWTCYJIG-GOSISDBHSA-N 415.563 1.127 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCSC1 1690102990 ZIWVBBMLASFQCU-YLJYHZDGSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC2(O)CC2)CC1 1690133293 ASNURNGLURYSSA-UHFFFAOYSA-N 401.898 1.791 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690410872 AEMDISOEZPDBAD-KZNAEPCWSA-N 424.567 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1 1690671245 RUYNBTSKAGOODH-MRXNPFEDSA-N 423.583 1.887 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CC)C1 1690684566 IKWNVJJGJVYQPS-QZTJIDSGSA-N 402.543 1.780 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1696996486 WNRMDERCTWNRTD-QGZVFWFLSA-N 412.494 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705490826 RKVNKELEIFBKAI-CVEARBPZSA-N 402.524 1.388 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1705584313 GHKSLJXLHPFABG-BGYRXZFFSA-N 406.534 1.836 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1705610898 JFFPXYQWUYGXIU-MRXNPFEDSA-N 424.505 1.796 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1705612352 FMEXZIJOELXXGS-KRWDZBQOSA-N 418.567 1.849 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1705834938 WOINTTNJWJSSOF-AWEZNQCLSA-N 412.560 1.302 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC(C(N)=O)CC1 1705933000 QPLOIXZLFXVRKV-UHFFFAOYSA-N 417.535 1.556 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1706820348 DAHOLPGCYBCEQX-KRWDZBQOSA-N 423.521 1.063 30 10 HDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)s1 1709018112 BERJPYHHQUCHRB-LBPRGKRZSA-N 410.507 1.979 30 10 HDEE CC[S@@](=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710917376 GSEGKHCYUOEBAA-MUUNZHRXSA-N 400.508 1.849 30 10 HDEE CN(c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1711038724 TWBQZBCXZQIENW-DNZUHHBVSA-N 402.499 1.618 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCOCC1(C)C 1712625366 UQJBBTYAXKQCEB-SQNIBIBYSA-N 420.558 1.709 30 10 HDEE N#CC1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712882641 JQALZJRAVPUDPW-ZZEZOPTASA-N 418.461 1.606 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1722411108 YFKMKENMABXSAE-MRXNPFEDSA-N 401.492 1.163 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1722459505 LPDVVUDYMMWGJS-KRWDZBQOSA-N 421.567 1.127 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCO[C@H]2CCOC2)CC1 1722560270 UNHOMJWNYJATNC-HOTGVXAUSA-N 413.544 1.240 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1722682888 PVEHQXBVFVSUJW-CYBMUJFWSA-N 405.528 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722695064 RIUCUPYNUPVNHL-QGZVFWFLSA-N 421.505 1.983 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1722699247 STMXKHGTNIJEGC-BRWVUGGUSA-N 421.567 1.499 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722705552 DOSZGZLRBSLZHD-HNNXBMFYSA-N 406.531 1.248 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1728198230 DYOOAHOSRQSSCY-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncnn1C(C)(C)C 1730818917 JRBROCYVDVLHNX-CABCVRRESA-N 404.519 1.993 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1740596088 SAXPMYHVVABXAL-UHFFFAOYSA-N 422.489 1.437 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1740622841 JJTQTEDSEHFHBP-AWEZNQCLSA-N 424.477 1.812 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740943149 RSGUHFHCVGLPBW-SFHVURJKSA-N 402.480 1.126 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CCOC)CC1 1740955714 DNUXSTOEJGRKGG-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1740988066 RZHGDIYWRFBZOW-QGZVFWFLSA-N 417.535 1.420 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1741003295 QTYLWIMIJUEBRE-OAHLLOKOSA-N 412.581 1.716 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746242847 BNFJBHRXILRRAW-FMQUCBEESA-N 424.509 1.517 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)CC 1748674743 WXIOMADDPDDSRF-ZDUSSCGKSA-N 411.478 1.544 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748731107 ULVURNKRQPYXGL-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748812171 RHVMMHJNLHYQCQ-OAHLLOKOSA-N 400.508 1.552 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1748816218 XWMOGZHYYNWQJG-HNNXBMFYSA-N 403.508 1.689 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1748836205 RUDRFTBEXNVUKL-QGZVFWFLSA-N 407.474 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748927587 ULCQGZRPHPWGRE-PMACEKPBSA-N 422.533 1.590 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1ccn(C)n1 1748946994 WLCBUCXMNXOXLQ-UHFFFAOYSA-N 421.480 1.961 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2c(C)noc2C)CC1 1748971440 PQLGCOTWBQPZIQ-UHFFFAOYSA-N 413.526 1.605 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN(C)CC(F)(F)F)CC1 1748984262 OSOWPTRLZITSOV-UHFFFAOYSA-N 409.460 1.533 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1749626247 ZDYWIDHLZOSZQO-AWEZNQCLSA-N 416.448 1.506 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749652832 UGBDXLZPKXIDPQ-MBSDFSHPSA-N 422.533 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749661097 YAIQDCIVIDVMEC-KRWDZBQOSA-N 410.522 1.940 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749671702 GUDWEEMARUBQKJ-MRXNPFEDSA-N 400.458 1.025 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749720680 USLBZLJLPFCUQT-UHFFFAOYSA-N 423.477 1.374 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749734546 KKCLTWUKIRQHQI-UHFFFAOYSA-N 419.555 1.175 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1750387756 AEMUJUBANNAQMB-GDBMZVCRSA-N 419.482 1.171 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO 1751089362 GDDFBJSHEUMIKO-DLBZAZTESA-N 403.531 1.099 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(O)CCN(C)C2)c1 1760126664 FPUFVOGMQQRCCM-JOCHJYFZSA-N 410.522 1.524 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1760184489 IWOQOACQCUZSIN-IBGZPJMESA-N 413.547 1.668 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@H]2C)CC1 1760265015 LBHGRFWXDFQUNG-FYQPLNBISA-N 417.554 1.430 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760359096 GSMFDQDLQKMQRY-MRXNPFEDSA-N 414.514 1.355 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1760472923 HQVXCHOWYHBDTL-ROUUACIJSA-N 402.543 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760555604 IUFDTLJDYIHYTK-GVDBMIGSSA-N 410.540 1.388 30 10 HDEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1761011658 DJIZLLJDPVZDRT-KRWDZBQOSA-N 408.572 1.888 30 10 HDEE Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1762394807 GIRDCVKMRFMGIR-KRWDZBQOSA-N 408.422 1.672 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1763755973 CMXASCGVQUUKPD-OAHLLOKOSA-N 403.531 1.709 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)c1 1770735786 OHHGLUMGCRIKEU-FQEVSTJZSA-N 421.505 1.392 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1770740064 ICOFFUNJUUGOAZ-HNNXBMFYSA-N 403.533 1.805 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCSCC1 1770833233 PXWVXDAXXRCETA-FBMGVBCBSA-N 411.491 1.420 30 10 HDEE COCc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1ccc(C(C)C)cc1 1850692182 IMMPVXHMSOBMNJ-UHFFFAOYSA-N 411.506 1.603 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851147249 HRBXPIOVAIWURC-UHFFFAOYSA-N 414.487 1.336 30 10 HDEE C=CCC(=O)N1C(=O)[C@@H]2CCCN2c2ccc(S(=O)(=O)N3CCN(C)CC3)cc21 1851371435 GHFKJFVGGRUENF-KRWDZBQOSA-N 418.519 1.041 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CSC3(CCC4(CC3)OCCO4)N2C(C)=O)CC1 1851708193 NJZAFYKLWOFVRY-KRWDZBQOSA-N 409.552 1.294 30 10 HDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852162775 ADALJXKGNSGYNJ-RBUKOAKNSA-N 405.458 1.546 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1852688207 BYIGCRXEGRDIHE-SFHVURJKSA-N 409.939 1.661 30 10 HDEE N#Cc1c(F)cccc1NC(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1852691771 HAWORJQLBUFWNN-UHFFFAOYSA-N 408.377 1.745 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1=O 1853828697 OLYFMOAJKYOCSU-MOPGFXCFSA-N 401.482 1.995 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccc(F)cc2)C1=O 1854131915 UYWZPPCOQBDFDQ-RTBURBONSA-N 401.482 1.995 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2cc(F)cc(F)c2)C2(CCCC2)C1=O 1854444360 OAVVZBIWNOSFCF-UHFFFAOYSA-N 411.430 1.692 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1854792158 LAAYNOWSTQUBFR-AWEZNQCLSA-N 405.476 1.139 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)CC(F)(F)F)C2=O)CC1 1854804313 SZADFADUORLDOG-HNNXBMFYSA-N 409.412 1.935 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)CCC(F)(F)F)C1=O 1854907709 KNIGPSCYZNZAIU-OAHLLOKOSA-N 424.427 1.719 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nc(-c2ccccn2)no1 1855913273 RMYINMOGDFGRID-CQSZACIVSA-N 402.414 1.876 30 10 HDEE COCc1nc(CCN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)no1 1856377333 QEBWTXHUUVDELM-UHFFFAOYSA-N 411.462 1.322 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ncoc2C2CCC2)C1=O)[C@@H]1CCN(C)C1=O 1856756568 ODOOLLUEETVIML-JKSUJKDBSA-N 400.479 1.792 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2snnc2CCC)C1)[C@@H]1CCN(C)C1=O 1857077025 UPELYHUDCMFRKC-GOEBONIOSA-N 419.551 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)C1 1857309747 KYEDJAFRGAJVKS-IRXDYDNUSA-N 404.511 1.997 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1860735284 MUVHUGIQGPUUFC-XBXARRHUSA-N 423.834 1.794 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS)C(=O)O 1885479523 OBGFNVYAQHEDNK-NWANDNLSSA-N 412.508 1.984 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(=N)NO)C1 1914890730 JHFSRXGZKLFOPO-CQSZACIVSA-N 417.329 1.367 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)NC1CC(NC(=O)OCc2ccccc2)C1 2044243331 HFHFOCKIWMRTOR-UHFFFAOYSA-N 400.460 1.876 30 10 HDEE C[C@@H]1CCC(=NO)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025100 GMNFIWSYQDUBMG-KZULUSFZSA-N 411.455 1.655 30 10 HDEE C#CCn1ncc(NC[C@H]2CCCN(C(=O)C(F)(F)F)C2)c(Br)c1=O 2106099455 NQHCCRFVLAOZOB-SNVBAGLBSA-N 421.217 1.852 30 10 HDEE C#CCC[C@@H](NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811253 XZKSLGNGNKOIRK-CSODHUTKSA-N 402.447 1.785 30 10 HDEE C=C[C@]1(CO)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2135107719 HFDXLIVWEIYFGY-FQEVSTJZSA-N 422.503 1.032 30 10 HDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C#CCN)cc1Cl 2152241625 VHNCWLAOPOQKCI-UHFFFAOYSA-N 405.907 1.587 30 10 HDEE C[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2166327632 VFTFBAKVLSKUEL-CQSZACIVSA-N 401.529 1.750 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@@H]2C 2174787594 VUAQAXLMMGRRPZ-JDPPGYRCSA-N 401.529 1.916 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)n1 2247825868 KJIQGBGTRXZNAZ-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2247826228 QGINDLPZGYNPFA-HOTGVXAUSA-N 408.311 1.569 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CC(N)=O)Cc1ccccc1 2247847132 RVOARWSKJDZVFA-UHFFFAOYSA-N 411.311 1.935 30 10 HDEE C#CCN(CC(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258169358 QBCXNPKBEGAYNF-QGZVFWFLSA-N 410.492 1.375 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3[C@H]4COC[C@H]34)cc2Cl)OC1(C)C 2267357307 UBBKULMRTPFBLD-IUCAKERBSA-N 405.734 1.624 30 10 HDEE C=CC[C@@]1(CO)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272099297 DZENBWMQSPNXKP-WOJBJXKFSA-N 424.494 1.601 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2281803413 WPQOENQWZRUMEY-RYUDHWBXSA-N 400.331 1.138 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282017837 PICCTKATBULWKF-WDEREUQCSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1CCO 2282302316 VYIUPJOYXDBRIE-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CN(C)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282316663 GKPSGEPRPAALDM-CHWSQXEVSA-N 400.375 1.584 30 10 HDEE CN1CC(CNS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282489568 HCYHGLJQSCMZGY-UHFFFAOYSA-N 400.737 1.479 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2(N)CCC2)OC1(C)C 2282489995 IIZDFTRVYCNOAR-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE C[C@H]1C[C@H](N)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282501477 XOPFDASYTCCGCD-JSGCOSHPSA-N 400.375 1.546 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@@H]2CO)OC1(C)C 2282502176 HKEYVQNKJYBQQH-VXGBXAGGSA-N 402.347 1.023 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282630065 CZYODEGOXXLZEC-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE CC1(C)OB(c2cncc(C(=O)N3CCC4(C3)CC3(C4)OCCO3)c2)OC1(C)C 2282672384 IQAHZPGAHITPHL-UHFFFAOYSA-N 400.284 1.750 30 10 HDEE CS[C@H](C)[C@@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369623 XRUPSPODSZYUBW-PSASIEDQSA-N 400.331 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2304808114 MCNACLNVJNHWAL-UHFFFAOYSA-N 423.294 1.914 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@]2(O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2319402676 CWXFPBPHNKOEFQ-FXAWDEMLSA-N 406.504 1.058 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2362572980 HTJDWPMFLTYVQN-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2365210975 KBWWPHMTAHATOP-RBSFLKMASA-N 402.557 1.407 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783059 DFEOAZQVGLFNPW-BZUAXINKSA-N 400.541 1.556 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367788317 NRHGUCWHHOKMAK-INIZCTEOSA-N 400.541 1.165 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798449 QTGMZWRZMCDNKF-CXAGYDPISA-N 403.497 1.730 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CNC(=O)OC(C)(C)C)C(C)(C)C 2367815840 IDVPJPBTKCRUOA-IFXJQAMLSA-N 402.557 1.457 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367816028 GTRGGRQCXGREOR-DNVCBOLYSA-N 402.557 1.457 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)C[C@H]1C[C@H](S(C)(=O)=O)C1 2368842680 KFPKIFKVJKKBIX-JOCQHMNTSA-N 400.375 1.697 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369532698 HKSUJTSXMOVMPN-GVDBMIGSSA-N 403.541 1.884 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 47418407 STCZZLXVUCSQTL-UHFFFAOYSA-N 415.471 1.694 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nnnn2-c2ccc(C(F)(F)F)cc2)CC1 54173051 WMQAESVFDVCJJJ-UHFFFAOYSA-N 409.416 1.101 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96394340 PPJZLPNUOBNOAG-ZDUSSCGKSA-N 419.405 1.692 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 195541523 IPYWNUFFEMFHMU-IBGZPJMESA-N 403.442 1.099 30 10 HDEE COC(=O)CCS(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 404929477 LMFJMZFBERLREG-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1F 409750063 JITFKVQUZGQLGZ-WDEREUQCSA-N 402.386 1.170 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 441203749 UGJCWJRRCXJMCH-FMHYMLEISA-N 419.522 1.731 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 444288757 RBBUGJDIGZCQCC-OXQOHEQNSA-N 424.519 1.628 30 10 HDEE COC(=O)Cn1cc(CCn2cc(C#N)c(=O)c3cc(Br)ccc32)nn1 448099057 ZSXIAYREMVKCBW-UHFFFAOYSA-N 416.235 1.643 30 10 HDEE CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(F)c(C#N)c1 462349460 STPIICONKAIKGT-SFHVURJKSA-N 400.435 1.814 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CC2)cc1 473889793 YHOWAJJHXBEOTK-UHFFFAOYSA-N 400.460 1.252 30 10 HDEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCCC#N)C1=O 474390556 HGMIQIGVSJTJGH-IAGOWNOFSA-N 421.519 1.893 30 10 HDEE Cn1cnc2c1c(=O)n(CCCSCCCOc1cccc(C#N)c1)c(=O)n2C 477377724 MFXRLCDZPSDSMH-UHFFFAOYSA-N 413.503 1.898 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 479116967 WLNBQUFRNVTHPA-UHFFFAOYSA-N 422.488 1.083 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)C1 479873148 JVRMIEAJNWJNQY-PZJWPPBQSA-N 405.502 1.774 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)cc1 483556848 VPSMBOSMOIPHPQ-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 488276463 ZKFGNOQFZJDZEJ-GJZGRUSLSA-N 411.462 1.650 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(OC)cc3)no2)CC1 492352362 ALMBWKDXPALUEB-UHFFFAOYSA-N 413.478 1.124 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(c4cccnn4)CC3)C2=O)cc1 508691352 MQOHTRWXLTZFCW-GOSISDBHSA-N 405.462 1.375 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccncc2OC)CC1 508918863 FTORCRBISPFJQJ-INIZCTEOSA-N 402.499 1.918 30 10 HDEE C=CCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 509010218 HPSNYCPFLHBGJQ-UHFFFAOYSA-N 402.543 1.178 30 10 HDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccncc3)c2=O)CC1 522673953 BNEHXVAZHHFURD-UHFFFAOYSA-N 408.527 1.444 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2C1=O 537713893 UHZPVFWDEJZJBI-QGZVFWFLSA-N 418.409 1.471 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)CC3(C#N)CCCC3)C2=O)c1 546064025 XAYCATWVAHXXKY-QGZVFWFLSA-N 407.492 1.812 30 10 HDEE C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546917969 BUQDNONRESLYAM-SJLPKXTDSA-N 407.474 1.420 30 10 HDEE Cn1cncc1Cc1noc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 547265522 PUOXSRVYECUZRM-UHFFFAOYSA-N 412.475 1.834 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 549891679 PXGPIUJIENLTEM-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1)C(C)C 559867121 JONVHQZSYYCQBS-AVRDEDQJSA-N 407.555 1.598 30 10 HDEE Cc1ccn(-c2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)n1 560213129 USTRXDXZBPHCNF-UHFFFAOYSA-N 415.457 1.735 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N[C@H](C)CC)cc21 586314407 PAVSLJVBOLKKOU-VSGRFQRGSA-N 406.504 1.833 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 589221957 GBMIKENVLDUTMW-UHFFFAOYSA-N 418.475 1.897 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 604524885 HRSYFAGRIVQOJB-QGZVFWFLSA-N 407.474 1.576 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 609756574 KJKKYKKTPWMSRS-FQEVSTJZSA-N 411.462 1.656 30 10 HDEE C[C@H](C(=O)Nc1ccccc1C#N)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784749 DYSDKLROXWRJNK-OAHLLOKOSA-N 410.499 1.962 30 10 HDEE C#CCN(C[C@H](C[C@H]1CCN(S(C)(=O)=O)C1)NCCC)C(=O)OC(C)(C)C 691252462 BVVMNQOYFKHRLK-SJORKVTESA-N 401.573 1.897 30 10 HDEE CNS(=O)(=O)c1cc(I)ccc1B1OC(C)(C)C(C)(C)O1 694986117 VEKAGOJJNQAJKC-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1ccccc1 727418739 WWEYEYJKJGYZKQ-HNNXBMFYSA-N 405.479 1.917 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 728533802 BMJAAKJJDPWNDE-UHFFFAOYSA-N 404.470 1.446 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN1C1CC1 732700715 JHBDUOYECPTGNR-FXAWDEMLSA-N 410.522 1.270 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CN(Cc2ccccc2)CCO1 746289275 AFZQWVBGPIWCOG-STWLBSENSA-N 412.490 1.309 30 10 HDEE C=CCn1c(C2CC2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747832959 QHVLMOKBUXDAPF-ZQDZILKHSA-N 406.508 1.860 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)c1 750430267 MCWIHLZSXMAVNG-UHFFFAOYSA-N 407.470 1.793 30 10 HDEE C[C@]1(C#N)CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 753159548 DBBIXTKVQDTSRY-FXAWDEMLSA-N 421.519 1.868 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CCCC1 757111274 INFOOJUHGABBJU-UHFFFAOYSA-N 411.549 1.856 30 10 HDEE C#CCN(C(=O)Nc1nc(-c2cccc(OC)c2)ns1)[C@H]1CCS(=O)(=O)C1 757947028 FXNHKORUHYCUPC-ZDUSSCGKSA-N 406.489 1.868 30 10 HDEE C#CCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@@H]1CCS(=O)(=O)C1 760388550 QUBPHPKQUMGFKV-CQSZACIVSA-N 422.304 1.897 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760770600 DQPJIKQCMRCLKX-GOSISDBHSA-N 417.487 1.807 30 10 HDEE O=C1C[C@H]([C@H]2CCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CN1 765289090 ZHPSSYNPJBLZQI-GOEBONIOSA-N 418.519 1.023 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cnn(-c2ccccc2)n1 766291215 QVIPZYVDFYWMKL-AWEZNQCLSA-N 411.443 1.549 30 10 HDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 774283153 FGKMKVQQCYANSK-INIZCTEOSA-N 413.503 1.637 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 783608696 KRGUEWDWVVDPGY-MRXNPFEDSA-N 411.304 1.256 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H](O)Cc1cnn(C)c1 786859849 HTSSVWZIOIFWQM-RHSMWYFYSA-N 400.435 1.211 30 10 HDEE C=CC[C@@]1(C(=O)NCCCN(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790292151 HXVPZIGUSVEAKP-SFHVURJKSA-N 403.545 1.730 30 10 HDEE CC(C)CN(C(=O)COC(=O)CCc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 792749673 SELICVLDTWXWFT-SFHVURJKSA-N 406.504 1.706 30 10 HDEE C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)C1=O 799141799 BZCHQBYTXJKOAJ-KDOFPFPSSA-N 410.396 1.672 30 10 HDEE CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801972852 DJPKXGYOQXVTAO-INIZCTEOSA-N 418.505 1.871 30 10 HDEE Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 804161483 HZBUZSVUXPKOEX-LJQANCHMSA-N 408.433 1.934 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC2(CC1)OCCO2 809891807 YSBMEKATLBTBKY-UHFFFAOYSA-N 408.462 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 811428809 AAOKJHJCYXWVHI-KRWDZBQOSA-N 405.426 1.923 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ncc(Br)cn1 814349043 BMDLDTYPRAQIHL-SECBINFHSA-N 424.280 1.155 30 10 HDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccn1 1083888188 JQCFOATTXRGDBW-UHFFFAOYSA-N 413.423 1.472 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)n1cnc(C#N)n1 1133009212 XEXYJCSIMAPNRJ-TVQRCGJNSA-N 403.240 1.543 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](CS(N)(=O)=O)C2)s1 1134645175 BKJLETFNXOMVSK-NSHDSACASA-N 409.986 1.976 30 10 HDEE C#CCN1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1136861777 KZZZLHWOIUDUEU-UHFFFAOYSA-N 403.548 1.571 30 10 HDEE CNC(=O)N[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1138111074 HTUFNHZCOHGRSV-FEDUSRTKSA-N 405.499 1.303 30 10 HDEE CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)N[C@H]2CCN(O)C2=O)CC1 1141377883 DQNPRSUHFWEIHI-INIZCTEOSA-N 418.494 1.975 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1nc(O)c(C#N)cc1C 1141796572 SWXFQHHFPIPZJZ-UHFFFAOYSA-N 423.473 1.905 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)cc1 1141980136 KPFRNANUJWCPGD-HNNXBMFYSA-N 405.451 1.997 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCn3cc(C#N)c(O)nc3=O)CCC[C@@H]12 1154252063 NOHKALFHKNSTOW-VLIAUNLRSA-N 417.466 1.259 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2ccc(Br)cn2)C1=O 1161080035 RIYYOKIQPNPCEW-ZDUSSCGKSA-N 421.251 1.484 30 10 HDEE C=CCOC[C@@H](NC(=O)CCn1c(S)nnc1-c1cccc(C)c1)C(=O)OC 1161230108 KAWAOLSFTQVCDL-OAHLLOKOSA-N 404.492 1.793 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc(C)c1F 1166615422 VGIJXNJFOHUJET-UHFFFAOYSA-N 415.421 1.862 30 10 HDEE N#CCC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1167951696 BUVZSQNNLHORIP-MSOLQXFVSA-N 412.446 1.733 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(NC(=O)OC(C)(C)C)cc2)C1=O 1168877805 YZJDOEHUJBYARM-UHFFFAOYSA-N 416.434 1.973 30 10 HDEE COC(=O)[C@H]1C[C@@H](N(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1174863573 QYPICVLVIOWDBC-NZSAHSFTSA-N 402.470 1.418 30 10 HDEE C#CCN1CCC(NC(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 1178208543 RWULRVQHCVIJTA-UHFFFAOYSA-N 417.307 1.763 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1191211939 RROMSMDUBLXUDO-GTJPDFRWSA-N 407.311 1.485 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OC 1194895993 DYRHPIOKERMGMC-CQSZACIVSA-N 408.473 1.373 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1211281392 LCZCYLOMCDRMBE-KRWDZBQOSA-N 409.508 1.399 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)c1 1212157907 FJBDUZAMXQKHGY-UHFFFAOYSA-N 408.501 1.917 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1233926963 CAEREZKPJDENDQ-OAGGEKHMSA-N 419.444 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286276192 WICMQOJQDVPKNR-STQMWFEESA-N 405.480 1.123 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNS(=O)(=O)CC 1286283603 WGCALDWJTZVZGP-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286303808 KFTJZKGFSGUFTG-MJGOQNOKSA-N 415.563 1.803 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1286363417 NVADSMSHYWXBOZ-LEWJYISDSA-N 401.511 1.399 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286371744 CJUAWYGULOJJIL-CQSZACIVSA-N 401.854 1.772 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286371832 FQLWBNYDWQICDM-CABCVRRESA-N 402.499 1.698 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cccn2)cc1 1286399006 WGHTWCJUNLVBCS-UHFFFAOYSA-N 401.474 1.723 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1286437976 PZHFHIAIMVTPLI-FQEVSTJZSA-N 418.519 1.614 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCSC2)CC1 1286473198 YQPQHYSNVRAISN-QZTJIDSGSA-N 407.584 1.901 30 10 HDEE C#CCSCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)C1 1286503640 CRGAGXXGXAIUHK-UHFFFAOYSA-N 408.487 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1286547421 OUAYYCUJGSBZOF-ILXRZTDVSA-N 415.585 1.423 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1286693677 XMIYAIDCAGVCNV-CYBMUJFWSA-N 424.493 1.539 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1286716971 PCBRUWLZFYHUOI-UGKGYDQZSA-N 420.602 1.967 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286777156 FOOZFIKSHBHMAW-UHFFFAOYSA-N 414.441 1.703 30 10 HDEE C=CCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286778287 XVQHBJURXSFORB-IXDOHACOSA-N 418.542 1.756 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NC)C1 1286804807 OIAHQDGMSXPLBS-KKSFZXQISA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286823032 QUBQUPMUJLRMFM-QGZVFWFLSA-N 417.535 1.884 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1288528998 FCEJNTNACUILLL-CYBMUJFWSA-N 417.420 1.848 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1296135823 GHMOLMNWKVYVIC-INIZCTEOSA-N 413.482 1.922 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)cc1S(=O)(=O)NCC#N 1299734248 AJQKHVHQJSNKBQ-VIFPVBQESA-N 417.369 1.690 30 10 HDEE Cc1ccc(C(=O)N2CCC3(CC2)CNC(=O)N3C)cc1B1OC(C)(C)C(C)(C)O1 1299769847 JTEYTNNGESBMFS-UHFFFAOYSA-N 413.327 1.924 30 10 HDEE COC1(C)CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299784163 GQIAUNHWNRUHPW-MSUUIHNZSA-N 402.499 1.618 30 10 HDEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 1299791140 HRSABAWSRNKLJC-QGZVFWFLSA-N 424.505 2.000 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(C(=O)NCC)CCC1 1300267697 ITNKBMUCQDMFHW-OAHLLOKOSA-N 402.543 1.961 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300393384 GQYUZUOOWOZICP-UHFFFAOYSA-N 412.519 1.748 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300432629 MPCRDHWWVPEVMC-IERDGZPVSA-N 410.478 1.723 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1300630936 JWYHDFYGARNLPL-XHSDSOJGSA-N 413.519 1.209 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1cccc(C(=O)NC)c1 1300666029 VCYLVLQTVUFYDB-UHFFFAOYSA-N 404.474 1.834 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2cnnn2C)CC1 1300719285 VGROGCIKPVVPBL-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1300996798 JUGYCNLWLNHWCN-KRWDZBQOSA-N 413.526 1.721 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1301424384 KIQCLQYALABPDS-KKSFZXQISA-N 403.527 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301493229 WTCVYDTUQFZQEO-HNNXBMFYSA-N 412.494 1.348 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301585661 DFYGSGKRECIBSD-HNNXBMFYSA-N 422.511 1.101 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(CC3CC3)[C@@H](C(N)=O)C3CC3)ccc2c1=O 1302635553 LTCWLSQZHACYGJ-QGZVFWFLSA-N 412.515 1.987 30 10 HDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1302786624 UZSREXIZBDGONG-QFBILLFUSA-N 405.376 1.773 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1nc2c(s1)COCC2 1304165286 UFJHLUMWFMFVDC-LBPRGKRZSA-N 420.516 1.113 30 10 HDEE CC[C@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1305581980 OIMQBZMRKNKZIG-HMWBCQRISA-N 410.482 1.744 30 10 HDEE C#CCC1(NC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCOCC1 1311826788 YNSZMQVPZIHGOR-UHFFFAOYSA-N 418.925 1.860 30 10 HDEE CCN1CCN([C@H](C)Cn2c(N(CCC#N)CCOC)nnc2C(C)(C)C)CC1 1313927000 HBGRUGZLKQAODF-GOSISDBHSA-N 405.591 1.968 30 10 HDEE CN1CCn2nc(C(=O)N3CCC(Oc4cccc(C#N)c4)CC3)cc2S1(=O)=O 1353045496 AHTGFGUROVMQFS-UHFFFAOYSA-N 415.475 1.072 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358962846 YDVYUTAPHLMCOH-HKUYNNGSSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1 1358969897 ZKBMQEREAIUYAM-QGZVFWFLSA-N 411.531 1.847 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1358973723 CROFHCKUWXUDTN-QHCPKHFHSA-N 400.486 1.633 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1359003159 AKVPXABLPWLGKX-UHFFFAOYSA-N 414.535 1.948 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2OCCOC)CC1 1359029018 LXYUKHQZSDMYSF-UHFFFAOYSA-N 412.538 1.799 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCCC2)CC1 1359037851 ZKJCARJBNIHVLU-UHFFFAOYSA-N 407.566 1.895 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOC)C1 1359083000 ZPSBXLMPVGYUEZ-QWHCGFSZSA-N 414.304 1.380 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1359238760 VRYIXPSNQSCGHK-LJQANCHMSA-N 410.522 1.732 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1359321129 AKEMQLLLXOFDEH-QGZVFWFLSA-N 419.551 1.920 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(C)C)CC1 1359330222 LCOUPEIPRKJRHK-UHFFFAOYSA-N 404.540 1.471 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1360591378 CAOOYQMKIJQIEE-OXQOHEQNSA-N 403.506 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1 1453514188 YPNQIDHVXWPNLX-UHFFFAOYSA-N 414.549 1.628 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCC[C@@H]12 1455493015 PYEVXKACPIXASA-YYXLPIDQSA-N 418.494 1.951 30 10 HDEE CCn1cc(Br)c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1457948867 HWAYAQUMBFCJCF-LLVKDONJSA-N 404.272 1.678 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)CCS2(=O)=O 1463266075 FLGFEZLXNXTLEW-RYZJOYRSSA-N 416.499 1.605 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c1OC 1463714986 AGTROTFCVOYKNQ-UHFFFAOYSA-N 410.430 1.583 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 1464684294 FLPBKBXFZWVIFF-JTSKRJEESA-N 414.506 1.967 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464927725 VOIJDVVQCIWHPM-AYGAQVIVSA-N 408.499 1.959 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1=O 1467531515 HHJBALXTHZIBEI-ULQDDVLXSA-N 422.570 1.458 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(OC)c(C(=O)OC)c2)n1 1467960073 OACALFTZLSDUOI-UHFFFAOYSA-N 414.462 1.670 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c1 1469053068 PSEGQPFDXGZSFR-UHFFFAOYSA-N 412.533 1.334 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1471356239 GPTHZCWPZMXBPY-LJQANCHMSA-N 411.483 1.713 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](N(C)C)C[C@H]3C2)cc1S(=O)(=O)NCC#N 1472350304 USROWYWEMHCKTB-BZSNNMDCSA-N 404.536 1.599 30 10 HDEE N#Cc1ccnnc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1472722576 XYBCFDAZHUQPKL-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C1CCOCC1 1475515143 NVJQLWHENSVSHU-CQSZACIVSA-N 416.293 1.942 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1478729204 JGOGZVGFUKXKKH-ZRGWGRIASA-N 406.483 1.232 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CC1 1479026613 ZYOOYFKUCAWLER-UHFFFAOYSA-N 407.470 1.887 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1501401685 ZKWQXEQFFPOFJH-QFBILLFUSA-N 407.522 1.968 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1507520684 FUCGCXVPMDARGW-GXZWQRSESA-N 400.479 1.960 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507563135 COWLSGUJJGDYHA-SJORKVTESA-N 414.510 1.352 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1507613779 QSHHAIGEQWNQIV-CABCVRRESA-N 404.515 1.944 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1507750421 UUIRIIZOJJSVIC-ZDUSSCGKSA-N 400.430 1.813 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1507843324 LJJYNXOBJBUFPR-KRWDZBQOSA-N 418.542 1.563 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1507986419 ZRQPHLVRXAFINR-UHFFFAOYSA-N 403.446 1.893 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1508087694 PFVBUSCMHWGKBK-RRFJBIMHSA-N 404.515 1.171 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)n1 1515435496 IRCLYTNJVYGAHP-OAQYLSRUSA-N 406.446 1.842 30 10 HDEE COc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1518228255 CUZFVJHWWVMLSI-SJLPKXTDSA-N 413.478 1.771 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)CCC2=O)cn1 1535595980 KBZWZHIBJAIPSL-QGZVFWFLSA-N 403.446 1.918 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)c(OC)c1)CCS2(=O)=O 1537448765 ZASGQJJBGRGPJF-HVEKOLDVSA-N 406.460 1.196 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(-n2cncn2)nc1 1538973487 NYTUFYLOJILBCB-HOTGVXAUSA-N 410.482 1.484 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCC)c1 1539179865 SNLNNLWENZEDJB-QGZVFWFLSA-N 402.520 1.891 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1539180076 WEKBZRKHBSAFAI-MRXNPFEDSA-N 423.564 1.353 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539201309 ZVAGGSXYBJVFML-YESZJQIVSA-N 407.540 1.403 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC 1539283827 AMMIVSGLQNRNGS-IAGOWNOFSA-N 406.552 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1539368962 FVMFPBDINFJTJC-HZPDHXFCSA-N 405.524 1.536 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1539370295 UJKVCGGWJLIWBZ-CVEARBPZSA-N 400.504 1.816 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)CC(F)(F)F)CC1 1539444414 NRPZYTDWHGRICN-UHFFFAOYSA-N 424.475 1.318 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539998793 PVXOUWMPUHWMGE-HOTGVXAUSA-N 424.571 1.303 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 1540828934 NKWMPSINSAMVOW-UHFFFAOYSA-N 416.434 1.311 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C[C@@H]1CN(CC)c2ccccc2O1 1540898127 AIINRYAIDBRVGS-QGZVFWFLSA-N 419.551 1.911 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)COCCO1 1541512301 FUVGVKLWYKIWJP-HXUWFJFHSA-N 406.531 1.988 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cs1 1542925897 KDWOVLBFRNACKG-HZPDHXFCSA-N 404.496 1.168 30 10 HDEE CC(C)(CO)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1546338651 FQPBSRCFXMEBNZ-HNNXBMFYSA-N 404.898 1.480 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCC(F)F)CCOC1 1547891049 ADHRPSAZZVEMEH-DLBZAZTESA-N 403.405 1.654 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1554319958 MCAJOZXUTUHVKS-UPTRSRDDSA-N 402.499 1.717 30 10 HDEE Cn1cc(N2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CC2=O)cn1 1554338466 RWFVNOGMLLKJLH-UHFFFAOYSA-N 408.466 1.675 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[C@@H]2COCCO2)c1 1555988100 XCKWHEMPFKJFBA-PKOBYXMFSA-N 424.505 1.714 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1555989851 SFHXVGXTELIEOV-STQMWFEESA-N 410.356 1.510 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCN2C(=O)C(C)=C(C)C2=O)C1=O 1556439026 CISAJQMMXVBXSO-HXUWFJFHSA-N 406.483 1.784 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)c(C#N)c(F)c1 1557064671 FZFOIYCTEVPSIL-UHFFFAOYSA-N 424.385 1.795 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(C)(C)C)C(=O)OC)s1 1557174565 DJMIRXXRSNUSCJ-ZDUSSCGKSA-N 402.538 1.849 30 10 HDEE COC(=O)C1=CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557499534 RQTBCJGRBWFZIR-GOEBONIOSA-N 419.503 1.518 30 10 HDEE C[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)COc2ccccc2O1 1557650219 HIFITVKUOJNECK-LJQANCHMSA-N 401.444 1.183 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](Cc4nccs4)C3)CC2)o1 1560214381 LVNWZVUTFYSQBG-OAHLLOKOSA-N 400.508 1.524 30 10 HDEE CC#CCN(C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1562142949 ITESKAIDRHOQHV-UHFFFAOYSA-N 420.535 1.795 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CC1 1563680520 WHDWVAIBKBCECY-UHFFFAOYSA-N 414.506 1.017 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 1564721678 XJQRTLQCIPYAEG-VQTJNVASSA-N 409.465 1.733 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1564847286 KEAZNZSSJXHXKY-UHFFFAOYSA-N 402.495 1.126 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(CC(=O)N(C)C)CC3)n[nH]2)c1C 1565596218 PTICEPUKSVWWQU-UHFFFAOYSA-N 413.526 1.358 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)C(=O)OC 1568154843 UBMOBDSGFPTEAF-MRXNPFEDSA-N 406.504 1.875 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@@](=O)C(C)(C)CC2)ccc1F 1569101487 YTNXSVNPPYEBGE-RUZDIDTESA-N 402.513 1.663 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587868923 FAOMEBSSQYEKBZ-UHFFFAOYSA-N 423.521 1.252 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1587904752 NCIBIUCFEBDXJA-UHFFFAOYSA-N 402.886 1.457 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1588112966 CVWQNHWTWDIMGG-UZUQRXQVSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1588138769 IWACKMHJTQRHPS-OAHLLOKOSA-N 401.492 1.160 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1588237409 ADOCHBDZUABIGD-UHFFFAOYSA-N 409.465 1.330 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1588446143 ZUWASVHBSYLSID-LJQANCHMSA-N 400.508 1.207 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C)C1 1588975920 NFJJNAPQODVARR-GJZGRUSLSA-N 400.508 1.905 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589493977 JSSWPANPFNUNSI-AEFFLSMTSA-N 411.572 1.818 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1593741585 SLUJKDYKGPTWNU-QGZVFWFLSA-N 418.542 1.759 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1593776320 JLSMQHHBYZKVRM-DLBZAZTESA-N 404.515 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccco1 1595761095 XRBBMXCELXSTHV-HNNXBMFYSA-N 421.523 1.952 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Nc2ccccn2)CC1 1596428176 GKFDXXYAZJNOLC-OAHLLOKOSA-N 413.503 1.723 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)COc1cccc(Br)c1C#N 1596580088 GMABBVHTZANQAQ-DIFFPNOSSA-N 411.252 1.879 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)C2 1597704989 KGNAYIUJSYADOT-KRWDZBQOSA-N 412.467 1.777 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)c(F)c1 1611368562 FGQLSELLLZSIQQ-UHFFFAOYSA-N 408.499 1.456 30 10 HDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCNC(C)=O 1614023556 AUHOAHWCADZVMZ-UHFFFAOYSA-N 412.498 1.430 30 10 HDEE C=CCNC(=O)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O 1616153045 QEPSUPKAWZVVHR-MJCUULBUSA-N 401.507 1.280 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1616185342 IBDXXFZGHXRJRF-UWJYYQICSA-N 418.542 1.391 30 10 HDEE C#Cc1ccc(NC(=O)CCN[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1617668180 OPUQVSOEVZHGCC-QFIPXVFZSA-N 422.533 1.807 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C2CCC2)CC1=O 1618480351 SIVOXKFYDNARBN-UHFFFAOYSA-N 421.505 1.402 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1619989171 CVWHLRLSXRMAGW-XOBRGWDASA-N 416.457 1.591 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnccc1OC 1619990726 YIELCBTWIHZVBK-AUUYWEPGSA-N 404.446 1.896 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620355330 ILFJWLSDMVLIFA-RRFJBIMHSA-N 419.432 1.416 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1S(C)(=O)=O 1628480863 GSTWVPMFTLLQKZ-VXGBXAGGSA-N 412.961 1.968 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)Nc1ccn(CCC#N)n1 1629645048 RXXWMJMTENJKGG-ZMJPVWNMSA-N 409.368 1.721 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(CC(=O)OCC)CC3)n[nH]2)c1C 1630641187 ZKQVLCSPAZYANY-UHFFFAOYSA-N 414.510 1.787 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OC)c1ccnn1C 1630881168 QBXNEFREWGHOQR-WCQYABFASA-N 400.863 1.786 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)c1 1631704402 LSMMUYZJFFAEJE-UHFFFAOYSA-N 418.544 1.590 30 10 HDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1633239344 KYLGBTAKSQGANU-ZGAGMJPPSA-N 403.410 1.333 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1633317962 YHEHRLOZNLIWHK-NRFANRHFSA-N 404.463 1.350 30 10 HDEE CN1CCn2c(CCNC(=O)c3ccc(COc4ccccc4C#N)o3)nnc2C1=O 1633655663 PBVSRWHUKIUHBB-UHFFFAOYSA-N 420.429 1.380 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635472675 XUHMWSHHPNESCL-APWZRJJASA-N 421.563 1.689 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1636270308 CROGEODPSQYQGS-KXPUMZMLSA-N 420.473 1.267 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2nc(C#N)cs2)C1 1639619015 IRLJZOQOCGSKTA-GFCCVEGCSA-N 408.509 1.072 30 10 HDEE C[C@H]1CC[C@H](NC(=O)COc2cccc(Br)c2C#N)CS1(=O)=O 1640931624 GVYVEJUUXQWHDB-QWRGUYRKSA-N 401.282 1.781 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)c12 1642486205 GMZUXKKUKJIKIQ-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE COc1cccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCN2)c1 1643030559 BKTQZTBNHDRFIP-LJQANCHMSA-N 414.487 1.018 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(=C/c1cccc(OC)c1)n1nnnc1C 1644596660 LRDQHHOQMUSGJL-AQTBWJFISA-N 411.462 1.792 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]23CCC[C@]2(OC)OCC3)s1 1645071180 NDRKFEGCAVSEBE-SJORKVTESA-N 400.522 1.557 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccncc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454365 GSUAOULKFNLSTB-UHFFFAOYSA-N 400.479 1.673 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ccncc3)CC2)s1 1648764456 YWNITBRXURWGFE-UHFFFAOYSA-N 420.560 1.935 30 10 HDEE COC1CCN(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CC1 1655201254 DHQDMXZZASOQMT-GOSISDBHSA-N 412.943 1.878 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c1 1660071035 LPUNHVAJYPVFSL-GUDVDZBRSA-N 419.547 1.464 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc3ccccc23)CC1 1666948190 WFQUZKTYFWYDCS-UHFFFAOYSA-N 416.503 1.013 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1670014716 FGAIAOJQKDDTHC-CQSZACIVSA-N 400.522 1.881 30 10 HDEE C#CCC1(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CCOCC1 1675723430 GCHNEJSLOXQGCI-HXUWFJFHSA-N 401.507 1.940 30 10 HDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)NC(C)C)c1ccc(Br)cc1 1676118880 DUGVMSRSYACKAD-CQSZACIVSA-N 402.314 1.750 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CCOCC1 1681649818 OHCBKJAFBWMMCF-QGZVFWFLSA-N 409.483 1.593 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1686000776 WWCHQFWPNBZXDV-SFHVURJKSA-N 406.508 1.313 30 10 HDEE C#C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc(Br)cc1 1686920280 VEVWWZWWPHEKNC-INIZCTEOSA-N 409.328 1.785 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1689924445 HMCPCQJTUAYDAM-KRWDZBQOSA-N 421.509 1.490 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1690015428 MJYUJICXBCLMDK-IBGZPJMESA-N 418.501 1.187 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCC)CC1 1690122048 CYPJUYAEKROWLG-UHFFFAOYSA-N 407.478 1.386 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCOC2=O)CC1 1690146584 REVLUIWOGUGFPD-UHFFFAOYSA-N 416.526 1.285 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](C)C1 1690170747 PDAMFADKUMHVCH-OKILXGFUSA-N 403.508 1.986 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690472373 MGTXWEIFABLJAT-JYJNAYRXSA-N 413.544 1.239 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690496413 PTHNCCJGGSBIRF-NRFANRHFSA-N 421.542 1.580 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690683294 GTALZMPEWYGKRJ-UHFFFAOYSA-N 424.505 1.974 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1692729186 GKVCMWAKIMROAB-QFBILLFUSA-N 407.522 1.860 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(F)cn1 1694733968 DLVUZVWKUZMHBZ-UHFFFAOYSA-N 409.473 1.663 30 10 HDEE CCN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1695501595 HABSYOXMIDAIOX-UHFFFAOYSA-N 410.482 1.534 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1695897283 GWAHBTHYKYKNHK-TZIWHRDSSA-N 423.565 1.947 30 10 HDEE CCN1CCN(CCCn2c(-c3cccc(C#N)c3)nnc2N(C)CCOC)CC1 1695897922 BRLOIDLFKGOBLT-UHFFFAOYSA-N 411.554 1.927 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1696844630 OKVXLCPXHYYGPQ-SJLPKXTDSA-N 410.478 1.623 30 10 HDEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1703003495 UDAPYUPTNFPWCW-QQXKLLMISA-N 403.523 1.618 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1705565007 FGRCVLPNBVROAY-KRWDZBQOSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCC(F)F 1705593283 MKRFPHYGOWQNQL-UHFFFAOYSA-N 401.417 1.798 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705605655 QFAISOAFSJJVEP-QGZVFWFLSA-N 417.432 1.457 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C 1705624787 PAGAEWROWKYFGR-GOSISDBHSA-N 411.506 1.954 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1OC 1705627982 UPYACTYPAHJYCQ-INIZCTEOSA-N 401.442 1.511 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705672503 AXGTWYMDVOUAPD-FUHIMQAGSA-N 421.567 1.793 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)C1 1705708940 IVWQISTVRNYKPL-FOIQADDNSA-N 415.469 1.914 30 10 HDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCNS(C)(=O)=O)CC1 1705770726 RSHSPLBAPMJCHM-UHFFFAOYSA-N 415.523 1.222 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@]2(CN(Cc3ccccc3)CCO2)C1 1705897286 JPIKUNQFWBLWEU-QHCPKHFHSA-N 424.549 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705899155 JKXRXBSYMKWXOK-QFIPXVFZSA-N 421.505 1.733 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1705939694 KIBAZVWKTVXKIY-UHFFFAOYSA-N 414.526 1.820 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1705939950 QYLOGUYPMCIUHW-SNVBAGLBSA-N 401.480 1.806 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705945770 RLWAVVBHEHSKOP-KZNAEPCWSA-N 407.584 1.858 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1706748009 FIBJVNDWWFGDFC-ZDUSSCGKSA-N 418.527 1.065 30 10 HDEE COC[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CCO1 1712278090 DPMIIVYZNUYYRU-INIZCTEOSA-N 423.433 1.290 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1712685350 CXMCMWNTQXCVKM-INIZCTEOSA-N 416.507 1.426 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ccnn1C 1719830871 VJERYUVCRFYCQO-VTRWRZSMSA-N 402.495 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)C 1722284518 YMOAXQMEZRTGFG-HNNXBMFYSA-N 407.482 1.293 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCCNS(C)(=O)=O 1722300318 YGIDZLNMKGBNNE-INIZCTEOSA-N 405.524 1.563 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722364688 ALURTGSFLAMBFY-MRXNPFEDSA-N 405.524 1.838 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1CCN(CC)CC1 1722382151 AMZWIRCXCGVIOP-UHFFFAOYSA-N 405.550 1.364 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1722428576 HNKQOYZFLISDCI-MRXNPFEDSA-N 410.540 1.225 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)C(C)C)CC1 1722445309 PFTHMYSCLRWCNH-JOCHJYFZSA-N 412.538 1.656 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccs1 1722447418 MTOBNEUFACSTJI-KUHUBIRLSA-N 403.508 1.284 30 10 HDEE C=C1CCN(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nnn(C)n2)CC1 1722561249 RGOHABHFEBSVCO-UHFFFAOYSA-N 404.276 1.764 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722695621 JTTVOYOHJLWWHH-LJQANCHMSA-N 415.885 1.012 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1740610571 FYXTWJPKUITOAP-GOSISDBHSA-N 417.535 1.291 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(=O)N(C)C1CCCCC1 1740653052 XZUIIGOYWIMVSI-UHFFFAOYSA-N 405.506 1.989 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740786377 BGEMSFIROWAPCA-NRFANRHFSA-N 421.542 1.783 30 10 HDEE C=C(Cl)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740817334 YYOAMXRYHSBCRF-APWZRJJASA-N 411.934 1.592 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740955490 VXJBOZITBQBMGT-QGZVFWFLSA-N 408.462 1.508 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1741636134 CKEIBOZKQIZREO-BTYIYWSLSA-N 412.494 1.464 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)N(C)C 1741863714 YBQRNOAHCUNLBZ-SUMDDJOVSA-N 423.521 1.394 30 10 HDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCOC1(C)C 1743374940 HEIPGSRHBUOJAF-AOMKIAJQSA-N 410.522 1.887 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1748699233 MWLBJKFBVWEMLB-MRXNPFEDSA-N 408.572 1.366 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc21 1748824651 GDIOVOVZHWZRRV-GOSISDBHSA-N 404.518 1.940 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1748829598 FCHRQEGMPHDBKF-JOCHJYFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1748917389 WRKLIIWYFZARIQ-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@H]2CCCCO2)CC1 1748991124 QTVHJZKTEBNOMS-MSOLQXFVSA-N 400.527 1.334 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749033803 MWIRTBKCENKGJR-UHFFFAOYSA-N 416.595 1.703 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1749220949 UOOAFCNWEJZMIS-UHFFFAOYSA-N 413.526 1.191 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1749230202 UYUWZMGGKYATPR-MRXNPFEDSA-N 408.528 1.143 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1749312345 JLAWJBNAUPETSR-YWZLYKJASA-N 417.535 1.966 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1snnc1C 1750140247 ZMHYJLCOYYNBHT-RVSPLBMKSA-N 407.475 1.652 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1750198681 IGDNJEBDWNDZST-QGZVFWFLSA-N 407.475 1.392 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1760095925 BZDOYTBCFKXMSV-AWEZNQCLSA-N 416.507 1.351 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1760117461 PEGHXALYJQZQJF-NXOAAHMSSA-N 409.556 1.505 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760152667 UVPPNTHOOJBXBE-HNNXBMFYSA-N 419.489 1.272 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760328085 QELCBUNLVWQICV-NNFUDEMPSA-N 408.499 1.156 30 10 HDEE C=C(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760342627 INKLHVGWJLZRBC-GDBMZVCRSA-N 401.423 1.790 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760425551 PNIPISBROORRFF-RTBURBONSA-N 415.586 1.802 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)C1 1760543961 WZJCIIDFOYSEEZ-CHWSQXEVSA-N 407.425 1.650 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1761544926 NGCJWRVKYLPGGH-IERDGZPVSA-N 409.494 1.844 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)O1 1764329570 YFMJGIONQTWXTG-RZQQEMMASA-N 402.499 1.477 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1766672312 JHHCSIKHPNJLCV-UHFFFAOYSA-N 402.480 1.667 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C#N)CC1 1768426919 BOZKXDPMPKMVPU-LJQANCHMSA-N 424.553 1.956 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)CC1=O 1771137466 BRGCADLYCVQJOS-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE N#Cc1c[nH]cnc1=NC(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1853360273 DBWBIUNYNKYUAZ-OAHLLOKOSA-N 407.352 1.681 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1853478598 RRDGHULTXSARDU-SFHVURJKSA-N 419.489 1.628 30 10 HDEE COCCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1C 1853536456 CBSHTLAMFQAXDT-UHFFFAOYSA-N 403.460 1.793 30 10 HDEE CC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320007 AOMIVEFPGOINCM-DOTOQJQBSA-N 418.519 1.038 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(C[C@H]4COCCO4)CC3)CC2=O)cc1C#N 1854472695 BKTDRTMGSWIKHQ-SFTDATJTSA-N 411.502 1.983 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3cncnc3)C2=O)CC1 1854865367 GMJSQVLNITUZAM-SFHVURJKSA-N 406.446 1.275 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCCN([C@H]4CCOC4)CC3)CCC2=O)cc1 1855278527 WXVVOKYKYYFASF-CTNGQTDRSA-N 410.518 1.734 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)CCc3ccon3)C2=O)CC1 1855848232 ZSEWSXKNZNWBSH-GOSISDBHSA-N 408.462 1.214 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CC1=O 1855868135 WVQZIAGVGBWUME-SJORKVTESA-N 404.511 1.997 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 1856213348 RQYUTNFJUBTPTC-NSHDSACASA-N 403.382 1.508 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3c(F)cccc3F)C(=O)O2)CC1 1856612063 LOUAVQSIAKOYNF-CQSZACIVSA-N 413.402 1.491 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3c(F)cccc3F)C2)CC1 1857021046 ZWODHAUIIMOXPF-ZDUSSCGKSA-N 411.430 1.519 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)C2CC3(CC(=O)C3)C2)C1)[C@H]1CCN(C)C1=O 1857074517 KQECUUMNNPFINY-YJBOKZPZSA-N 401.507 1.230 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2=O)C1 1857111953 NPQCNOYOQBDNEI-YLJYHZDGSA-N 404.426 1.147 30 10 HDEE CN(CC(=O)N1C[C@@H](CN2CCC3(CC2)C[C@H]3C#N)CC1=O)C(=O)OC(C)(C)C 1857213601 QFAAWZDHUVWZLG-CVEARBPZSA-N 404.511 1.854 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857270161 JRHDHBAFXAYCNU-HOCLYGCPSA-N 400.479 1.261 30 10 HDEE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)[C@@H](O)C=O 1866089676 YIYSMDMPJVEXMB-LBPRGKRZSA-N 410.224 1.618 30 10 HDEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870107067 QQHGDVBURHCNRJ-UHFFFAOYSA-N 404.361 1.572 30 10 HDEE N#Cc1ccc(COc2cn(Cc3ccncc3)c(CN3CC(O)C3)cc2=O)cc1 1870347972 CINYNJMPGWNNET-UHFFFAOYSA-N 402.454 1.919 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N(CCO)CCCC)ncnc21 1873593146 HCKBZANJOVINFD-UHFFFAOYSA-N 402.543 1.898 30 10 HDEE CCCCc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874477145 LGORSZUGUHHJRJ-DJKKODMXSA-N 420.451 1.760 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889539021 UNBFMEDDMGLFFM-CQSZACIVSA-N 401.444 1.659 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OC(C)(C)C)n1C 1900440268 INQCENJDXAIFMC-UHFFFAOYSA-N 408.308 1.282 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)[C@@]1(CNC(=O)OC(C)(C)C)CCOC1 1982282774 FCAGRUROFWWUJA-CQSZACIVSA-N 413.334 1.840 30 10 HDEE O=C(O)[C@H](CS)NS(=O)(=O)c1cc(Br)ccc1Br 2026898282 AXJLNWQDESVPND-ZETCQYMHSA-N 419.116 1.873 30 10 HDEE C#CC[C@]1(O)C[C@@H](C(=O)N(C)CC[C@H](NC(=O)c2cnc3[nH]ccc3n2)C(C)C)C1 2079463718 NFOJGYGSKIQUNF-PONJGIIJSA-N 411.506 1.725 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CC[C@H](C#N)C1)CC(F)(F)F 2118166963 MMWAVEXOPWDYPE-MNOVXSKESA-N 400.423 1.512 30 10 HDEE C=C1CC(CNS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2126534977 DVVQYZINAGDGTB-UHFFFAOYSA-N 420.487 1.793 30 10 HDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NS(=O)(=O)C[C@H](C#N)C(C)C)C1 2174776798 AATZJDNJBYDTKE-DCGLDWPTSA-N 403.501 1.300 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC[C@H]2C=O)S(=O)(=O)C(C)(C)C1 2197733485 BAGOJLYQSOQSHP-KBPBESRZSA-N 402.513 1.379 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2201817432 VYXYIQKJKJFXJV-RVKKMQEKSA-N 401.529 1.870 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2235556982 MMSMBCUXVHELKQ-PMPSAXMXSA-N 401.529 1.065 30 10 HDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2247819431 GQAMZRIRBHWAPT-STQMWFEESA-N 418.303 1.304 30 10 HDEE Cc1c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825579 GRTYUSRZXOTYNR-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247943394 FQSOEAUBXUIWTO-DZGCQCFKSA-N 419.331 1.967 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCCON)c(Cl)c2)OC1(C)C 2267722368 WVLPIHGWFWBDJF-UHFFFAOYSA-N 411.116 1.461 30 10 HDEE N#Cc1cccc(Br)c1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2269701548 LPNYBFLJOHOZIF-UWVGGRQHSA-N 419.201 1.679 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)C1CC2(C1)OCCO2 2277954001 CNTOFQBGTVTPAA-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE COc1ccc(C(=O)NCC2CC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2281830948 SDJIILISQDPMNJ-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE CON(C)CCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282305033 SKNZNRKJIYVMFB-UHFFFAOYSA-N 404.363 1.517 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2282336454 DKJRFJUBBFYBFE-KWQFWETISA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CC(F)(F)CN3)c2)OC1(C)C 2282343049 BQRDZDALRYLMGG-LLVKDONJSA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)OC1(C)C 2282488989 FAVOVTBMVCNGHT-BETUJISGSA-N 401.359 1.877 30 10 HDEE C[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491152 KOTNLKYIUCYCDQ-SMDDNHRTSA-N 400.737 1.525 30 10 HDEE CO[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282492755 QJJVLZXXJZVMLY-LLVKDONJSA-N 415.264 1.903 30 10 HDEE CN1CCC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282499056 MSYOWTZQHVAKHQ-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCNS(C)(=O)=O 2282586454 YVLDFZSTHYDKPN-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE COC(=O)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830037 OINFHGKBRAUENY-VIFPVBQESA-N 423.749 1.931 30 10 HDEE CC1(C)[C@H](N)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842609 AOWZSSGISQEYRN-CHWSQXEVSA-N 400.375 1.593 30 10 HDEE C[C@H](CC(N)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282846738 NVBKDOWZYKJEGO-SECBINFHSA-N 422.765 1.585 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1N 2282847750 DJWUVTXUNGEWFI-DGCLKSJQSA-N 400.375 1.699 30 10 HDEE C[C@@H]([C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2282854982 YARZNEATADWZDU-MNOVXSKESA-N 423.387 1.147 30 10 HDEE C[C@@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393394 KGKXSELKWMGWNJ-GXSJLCMTSA-N 419.355 1.584 30 10 HDEE CC1(CC(=O)O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284405069 GCMIDARDQZPTAT-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CC(C)(F)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284407926 QNDPKCYYKZIHJN-LLVKDONJSA-N 407.294 1.527 30 10 HDEE CC1(C)OB(c2csc(CO[C@H]3CCCN(S(C)(=O)=O)C3)c2)OC1(C)C 2285644432 IWUQIBLKFQQXLL-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE COc1ccc(C=N[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 2294703358 HACFRBFDVVSBHH-VXGBXAGGSA-N 413.710 1.766 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3[C@H]4CN[C@@H]3C4)cc2Cl)OC1(C)C 2359281995 YNYJNIPPWDOMMG-CKYFFXLPSA-N 418.777 1.587 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2365198601 HNULEFMVPKAVRY-LIRRHRJNSA-N 404.573 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367793554 WKNJGBNKCHKJTG-HZPDHXFCSA-N 400.541 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1(C)C 2367806016 HERVINBICXLQLV-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1(C)C 2367806017 HERVINBICXLQLV-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE Cc1scc(C(=O)NCC(C)(C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369538122 NCOAYDUPFSXIDI-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCO3 13792057 VWOINYPUQCQQRI-OUIWWDRTSA-N 421.500 1.164 30 10 HDEE CC(C)CCn1c(=O)c2ccc(C(=O)NCC(C)C)cc2n2c(=O)n(CC#N)nc12 45943657 AXXLNURVRUADLP-UHFFFAOYSA-N 410.478 1.766 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)cc2C1=O 46361119 IOAYNOQIVAUVLC-UHFFFAOYSA-N 418.409 1.773 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 71530429 TWNOQQHZLRSPHN-UHFFFAOYSA-N 424.504 1.434 30 10 HDEE CCCCOC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)OCCCC)=C(N2CC2)C1=O 111462137 ZCYKGHPSPFTSJQ-UHFFFAOYSA-N 420.466 1.245 30 10 HDEE N#C[C@@]1([C@@H](O)c2ncc(Br)cc2Br)CCS(=O)(=O)C1 135404495 JEMCHDKNIWGTIS-QWRGUYRKSA-N 410.087 1.968 30 10 HDEE N#Cc1cccnc1N1CCN(c2ccc(S(N)(=O)=O)cc2C(F)(F)F)CC1 301166018 HTUDQGODXNNFOZ-UHFFFAOYSA-N 411.409 1.946 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433556046 XLCMKAGHDUHSAD-NVXWUHKLSA-N 419.437 1.849 30 10 HDEE Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 479022231 CADYRHNVCIPQNP-HXUWFJFHSA-N 418.501 1.894 30 10 HDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 483468242 DMIUNZUSTHFLSI-CTNGQTDRSA-N 418.925 1.980 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(F)c4C#N)CC3)C2=O)n(C)n1 489989307 TVCHOVKODCAWOS-IBGZPJMESA-N 424.480 1.693 30 10 HDEE C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 502677414 FVUVOOMUISNOIL-HEZAVNPASA-N 401.511 1.740 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2OC)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 504262253 YYPVANGPPPMEJQ-JYLXEMOASA-N 409.442 1.433 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)s1 517494502 BNPCHWFRQNIBGR-UHFFFAOYSA-N 420.519 1.644 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 524463885 ZMJDQVOIAGWUON-UHFFFAOYSA-N 405.587 1.613 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccc(F)cc1 530653424 SDTJCDKZPKUBMM-UHFFFAOYSA-N 410.455 1.220 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 545464200 YPANRYLTDCBTEW-HOTGVXAUSA-N 424.505 1.349 30 10 HDEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCCn1cnc(C#N)n1 553958903 FZGBDEVWVCBXJE-QFBILLFUSA-N 410.526 1.795 30 10 HDEE COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 557252557 OGMDZTRYQQEGEN-NRFANRHFSA-N 406.486 1.706 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(O)c2)C1 564377958 KLJWPMORPBBLAI-BBRMVZONSA-N 407.496 1.358 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)C(=O)C1 574774315 LZHMCXGOVSRHFZ-UHFFFAOYSA-N 415.519 1.736 30 10 HDEE C[C@H](C(=O)O)[C@H](NS(=O)(=O)N(C)CCC#N)c1ccc(Br)cc1 576458651 ACYQLWZVWMPKNN-GWCFXTLKSA-N 404.286 1.891 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3c(C)cnn3C)c2=O)cn1 582316708 APGZVNUMROUGDM-UHFFFAOYSA-N 422.514 1.030 30 10 HDEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 586863877 COFLDLMUULJIGK-IIBYNOLFSA-N 424.476 1.719 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 603798933 PUSNOZNVRZCGFJ-CQSZACIVSA-N 415.540 1.264 30 10 HDEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 609112529 FSJFKRYZLDCHSI-AWEZNQCLSA-N 403.446 1.297 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1 609642858 AAIHXSIGCLDJIK-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE C#CCN(C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 729333848 AGJATYAPNSRCRB-SFHVURJKSA-N 403.479 1.820 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@@H](C(=O)N(C)C)C(C)C 729701715 OIJJMKAODIEIAU-DOTOQJQBSA-N 423.535 1.940 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCS(=O)(=O)C1 731213669 MPEZBXCEXZVUQM-SFHVURJKSA-N 404.532 1.747 30 10 HDEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732152434 BIWRLVJDIOEQLG-ITZAQCPESA-N 416.503 1.698 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc(F)cc(Br)c1 732451091 UEHNEEJOIMLGQP-PFONDFGASA-N 411.231 1.914 30 10 HDEE CSC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 732649041 OAQCUVODNOQSQS-LTIDMASMSA-N 404.536 1.092 30 10 HDEE CN1CCC[C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1cccs1 745813190 JIXDXSKUPJWNRR-SSTPKXICSA-N 417.535 1.957 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 748775445 TUWOMHUFIRIUAR-MRXNPFEDSA-N 419.547 1.611 30 10 HDEE Cn1cc([C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C)cn1 752736771 POSOPDXBUGHKRQ-QGZVFWFLSA-N 403.508 1.752 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 757585735 AHGFKSBCKLQGMR-ARFHVFGLSA-N 422.551 1.953 30 10 HDEE C#CCN(C(=O)c1cc(OCCOC)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 758633793 PIQZLEDSKDMTEK-OAHLLOKOSA-N 402.472 1.523 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 763407777 CRSDBDIZJHDLBU-XDOYNYLZSA-N 419.441 1.867 30 10 HDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H](C#N)C2CC2)C1=O 771472629 BBHUZZXCXLDYHZ-DYVFJYSZSA-N 405.252 1.634 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C)[C@H]1CCS(=O)(=O)C1 774027631 HCZGYFNRYXQNNZ-INIZCTEOSA-N 419.503 1.122 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccc(C(=O)OC)cc1)C(F)(F)F 776021567 AWKBWQSPRBJKRT-ZDUSSCGKSA-N 408.398 1.977 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC2 776136992 QNYQADVGZJPGJD-SNVBAGLBSA-N 404.414 1.905 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cnccn3)CC2)c1 785352174 TYSGFJBKHQKMIY-UHFFFAOYSA-N 400.460 1.072 30 10 HDEE CCOC(=O)[C@@H]1[C@H](NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 788642687 HHSAJHHGIQTNLZ-GKJOJCCBSA-N 422.482 1.044 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)NC1(C#N)CCCCC1)S2(=O)=O 790027990 WRSZSHBHBSGBQQ-UHFFFAOYSA-N 407.448 1.191 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)n1 790105562 PVVYKAXKZGOYQB-IBGZPJMESA-N 410.474 1.502 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC#Cc1ccccc1 791240178 VIZHWYNQTFCGIP-KBXCAEBGSA-N 407.875 1.963 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(Cn3cccn3)c2)cc1C#N 793813929 PZZXDDDTJAEJMH-UHFFFAOYSA-N 403.442 1.744 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 797276146 RJBLUQUPDLKQPW-UHFFFAOYSA-N 409.420 1.477 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H](C)F)cn1 814710787 RPNFDKDSVLKCTQ-HIFRSBDPSA-N 412.535 1.651 30 10 HDEE C=CCNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1084076066 KXUBWVULSOVODB-VIFPVBQESA-N 421.439 1.656 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)nc1Cl 1127401690 IPIBTFGVAGWCDD-UHFFFAOYSA-N 407.839 1.275 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)c(F)c1 1134428975 JSDSFLKDEWFZGQ-OXJNMPFZSA-N 416.478 1.311 30 10 HDEE CN(CC#N)C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1136490699 NJIQJEOQPWIQAU-IBGZPJMESA-N 406.442 1.751 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)s1 1138880640 LKPCHSLUNVBZEX-CXAGYDPISA-N 400.522 1.161 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1=O 1139683984 MEDSHNYIHMWLNM-IFXJQAMLSA-N 406.487 1.630 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1141696456 LZQQWFXCJJPUHH-QGZVFWFLSA-N 423.535 1.860 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(C3CCOCC3)CC2)c1 1146919931 UEJMFPWGNBJHTA-UHFFFAOYSA-N 421.563 1.772 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1152129032 UFJGRRBWCLTIHH-CYBMUJFWSA-N 405.455 1.663 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(CC(=O)OCC)s2)c1 1162046021 JXTXWRAPGYVKII-UHFFFAOYSA-N 409.489 1.965 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@H]4C=CS(=O)(=O)C4)CC3)n[nH]2)cc1 1165557932 CPPFCXPJXKBARL-MRXNPFEDSA-N 411.487 1.545 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1166258791 KEIWDWFUKGQLJT-HNNXBMFYSA-N 417.462 1.840 30 10 HDEE N#C[C@@]12CN(CC(=O)NCc3ccc(F)cc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1176431804 JJQYENVONNBLOY-LRDDRELGSA-N 419.400 1.331 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)c2)c1 1178395540 ZZTMACSSWRVNNB-LJQANCHMSA-N 414.483 1.759 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1cc(C(N)=O)cc(C(N)=O)c1 1182242008 YMIBFCNXHRHHHO-UHFFFAOYSA-N 401.220 1.700 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)c1 1191333873 SUCYKTBBOSOXEI-UHFFFAOYSA-N 412.467 1.400 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c1 1213660826 IEJHSNZJJSJYNX-UHFFFAOYSA-N 420.491 1.098 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 1215007972 VCADTYCYWCONFV-UHFFFAOYSA-N 410.474 1.492 30 10 HDEE C=CC[C@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1220402690 QIWISWHANCWZEJ-CQSZACIVSA-N 408.503 1.410 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1226145186 SNKIJPHVYJWUON-GOSISDBHSA-N 422.551 1.826 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC(=O)NCC(F)(F)F)c1 1286310880 GYBFTYSXZBKELR-UHFFFAOYSA-N 422.411 1.575 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286386831 IDAYHEKTQKPVBE-KXBFYZLASA-N 403.508 1.061 30 10 HDEE C#CCN(c1nnc(CC)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286391013 BIGNZSDJFPHSCC-DLUDVSRJSA-N 400.570 1.014 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@H](C)C2)CC1 1286470706 BNFQELWLFHIMPH-QYZOEREBSA-N 405.543 1.572 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)CC1 1286564099 SVZQGVXWYKSNEJ-GUDVDZBRSA-N 405.543 1.879 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286594362 NKIBUFKKRNYCMX-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286686528 AESSFEWHYLESPB-KURKYZTESA-N 424.567 1.921 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286789964 ATFQOPVWWCWERF-AWEZNQCLSA-N 416.913 1.491 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCCC2)C1 1286799222 UDEYVEZZNKWOII-ZWKOTPCHSA-N 404.559 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)F)C1 1286808950 OGXBVMLZTVRCAD-AWEZNQCLSA-N 406.437 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@@H]1C 1286822271 CDKPZTZUIQVXLT-PBHICJAKSA-N 406.556 1.975 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C1(c2cccc(C#N)c2)CC1 1288693374 DZPUBNBCCMCZSK-UHFFFAOYSA-N 404.470 1.481 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS1(=O)=O 1293731272 SVBXRPOQDARZOI-QLFBSQMISA-N 401.529 1.998 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)C1 1294492600 JVJUELQLUVAOJT-QOLBRVKBSA-N 402.495 1.653 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1300308515 POIJELAWVWQDKL-HZPDHXFCSA-N 421.567 1.287 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C1CC1 1300587740 UMVRQSXASAJFLB-UHFFFAOYSA-N 415.501 1.506 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1301480873 FSCYORXVDBZGNW-GVDBMIGSSA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301490916 IGNZZGJLZVWJMK-SFHVURJKSA-N 423.521 1.385 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1302095472 DQXMBAZWBRTXKM-RDBSUJKOSA-N 421.420 1.698 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1303897934 AFVILHVCQRFNKJ-MRXNPFEDSA-N 415.494 1.728 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2C(F)(F)F)CC1 1310712885 GHOALFAFQXOUKS-UHFFFAOYSA-N 424.832 1.976 30 10 HDEE C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(F)cc1 1312658546 UNOFDSSQOHZMSN-LJQANCHMSA-N 417.462 1.881 30 10 HDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1313191080 LPMHUMNADQRXSN-UHFFFAOYSA-N 406.291 1.005 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1 1337722170 VOPGNRLGYKSOBG-MRXNPFEDSA-N 401.492 1.963 30 10 HDEE CC[C@H](C)[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)NCCN1CCOCC1 1353685731 WXFFHKQTBZLEKT-AOMKIAJQSA-N 414.550 1.697 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1359008997 FVNPPFXVTYCBFG-UZLBHIALSA-N 402.520 1.547 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@](C)(O)CCOC)CC1 1359034431 QLXNFEGGSFAABS-HSZRJFAPSA-N 422.533 1.969 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1359051734 IPTBEMOZXAZOKY-UHFFFAOYSA-N 424.530 1.478 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)C(=O)NC 1359086635 DMDIUDCMTQQVOD-NSHDSACASA-N 424.347 1.867 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1359241674 YPUYJBSYCWZNHU-CQSZACIVSA-N 408.503 1.297 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F)C1CC1 1359246123 QQADILIUKQLBPZ-UHFFFAOYSA-N 423.399 1.759 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cccc(Cn3nc([N+](=O)[O-])cc3C)c2)CC1 1436030385 UNPXVYXCHXAKHF-UHFFFAOYSA-N 409.446 1.750 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1440762684 NYMHRYXRNZTDTO-UHFFFAOYSA-N 413.503 1.474 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CCO)c1ccccc1F 1452181933 CXWDTGLQODPNJS-ACJLOTCBSA-N 405.451 1.604 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C 1453791954 XONUSLZIMPGDOC-VBKZILBWSA-N 421.519 1.948 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 1454904338 GGIRRJOLOZAMEP-UHFFFAOYSA-N 408.499 1.672 30 10 HDEE CC(C)c1ccc(N2CC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1456222368 RASWICPZWVUMPB-MDKPJZGXSA-N 415.515 1.560 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C 1459212522 SZULNGKMBKTREE-XOBRGWDASA-N 404.467 1.143 30 10 HDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1459713252 AXKAOHWSAQBLCP-XLIONFOSSA-N 418.513 1.842 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 1459881165 OAKJTFMMRJRTET-QKQONQEDSA-N 404.536 1.659 30 10 HDEE C#CCOc1ccc(CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)cc1 1460188678 RFLIEADGNWEQKW-HNNXBMFYSA-N 404.513 1.916 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](n4ccnn4)C3)C2=O)cc1 1461059970 XFFYZRZHZFXYNI-IAGOWNOFSA-N 407.434 1.218 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C2)C1 1463925915 BDIVKBCUYJVKQE-VZMXKUQRSA-N 411.524 1.467 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(O)CN(C(=O)OC(C)(C)C)C3)cc2C1=O 1467395253 HUPWVRRRWJGSJO-UHFFFAOYSA-N 415.446 1.180 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 1469730501 WBVIGKJLTYCXHX-TYILLQQXSA-N 410.471 1.109 30 10 HDEE CN1C[C@@H](CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1471913575 WKRSGOFTYBSUBX-ANZKDXPISA-N 404.511 1.758 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3=Cc4ccccc4O[C@@H]3C(F)F)C2)c(=O)nc1O 1472370695 LFFUFVOZIOXQLW-HNNXBMFYSA-N 400.341 1.314 30 10 HDEE C#CC1(O)CN(C(=O)NCc2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)C1 1477900662 CCFVUTYFPAMKCS-UHFFFAOYSA-N 415.471 1.386 30 10 HDEE C#CCN(C)CCCNC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1478736292 OQUNLEWCLNSKSV-GOSISDBHSA-N 407.559 1.278 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)cs1 1492674875 JBNFPKCMOFXHHX-QGZVFWFLSA-N 406.487 1.617 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1501219090 ZNWXQIRJEOYGMD-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1503557567 BBYRAMHHKXOIAR-MRXNPFEDSA-N 408.466 1.378 30 10 HDEE COc1ccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1504233224 APKNOLWAVYMRFX-LJQANCHMSA-N 424.505 1.884 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1504597744 KRRJRAVAMNJREL-IRXDYDNUSA-N 413.457 1.357 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1504911025 PLZNNPJCBJUMEW-UHFFFAOYSA-N 421.549 1.847 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CCN1S(C)(=O)=O 1505285892 HHMYTHHJACBPQF-AWEZNQCLSA-N 416.507 1.534 30 10 HDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCS(C)(=O)=O 1507603130 LYLPVEQWYHZLHW-UHFFFAOYSA-N 415.288 1.961 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507653518 RAZRWSDLYPAWKC-CYBMUJFWSA-N 417.395 1.354 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cn2ccsc2n1 1507658364 ACHPWTSICLIORW-RDJZCZTQSA-N 410.503 1.832 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1507752432 XFEMSSOYUVRUNR-IBGZPJMESA-N 416.507 1.074 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507984392 VQOXZJDFQCAOJE-INIZCTEOSA-N 413.507 1.636 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1508004835 QKCOHOMLFGPVMK-SFHVURJKSA-N 408.506 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)C2CC2)CC1 1508082028 RATWPGHDOGCUTJ-UHFFFAOYSA-N 411.510 1.035 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(F)(F)CC1 1508089474 XISISAITYDFPMX-UHFFFAOYSA-N 408.409 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(=C)CC1 1508142939 HMSPTYNUTQZBQW-UHFFFAOYSA-N 404.540 1.897 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccnc2)CCOC1 1509815787 KTTLXUNNLRITLN-WIYYLYMNSA-N 412.494 1.685 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)n1 1511694425 BSNWJUQCKAYOQP-FQEVSTJZSA-N 423.456 1.124 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[C@H]2CCCCO2)CCO1 1521120925 CKOPJYFTYGMCDG-SJORKVTESA-N 402.499 1.592 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1524605131 IOIUHQSUKFZMEY-GSEUCRRWSA-N 401.507 1.083 30 10 HDEE C=CCOCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1529053601 FWQUUKLYJGOWDP-HNNXBMFYSA-N 408.476 1.333 30 10 HDEE C[C@H](C(=O)N(CCC#N)CC(F)(F)F)N1CCN(C(=O)OC(C)(C)C)CC1=O 1531489125 FWMCCDIUWFZJBZ-GFCCVEGCSA-N 406.405 1.759 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CCc2c(C)nc(N3CCOCC3)nc2O)CC1 1533086163 NNAQFDPJBNQGRM-OAHLLOKOSA-N 405.524 1.506 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)NC[C@H]2c2ccccc2)cc1 1535916021 AYXNCIMOUQQZTG-SFHVURJKSA-N 412.471 1.192 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539095548 GOZRVTNURWHOMJ-ROUUACIJSA-N 419.526 1.243 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cc(OC)ccc1OC 1539408952 IYELVTBZPZNMFC-UHFFFAOYSA-N 408.462 1.887 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539515083 XEZODPBJIKDFPF-INIZCTEOSA-N 411.597 1.820 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C1CC1 1539538016 ACMLLPBUNHTORU-DNVCBOLYSA-N 408.572 1.365 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CCO1 1541079590 KPGROXSMPUVUPI-IBGZPJMESA-N 421.461 1.118 30 10 HDEE Cc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543286731 SCQCBMSXYCICOS-ZCXUNETKSA-N 401.515 1.424 30 10 HDEE Cc1cc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)n(CCC#N)n1 1543432332 HGMIZANSRVBDQI-CQSZACIVSA-N 411.871 1.037 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CCNC2=O)c1 1544607989 LMXPVFZTAPAWJD-QZMYASAMSA-N 406.508 1.744 30 10 HDEE CN(C)CCOCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552871263 NCBVKYAEGMMYEG-HXUWFJFHSA-N 409.538 1.700 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1555611851 FWHAWSFGELBNGW-OAGGEKHMSA-N 413.544 1.565 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1555989120 ZEJNLGHLDVRNMR-JKSUJKDBSA-N 416.432 1.943 30 10 HDEE C=C[C@H](CO)NC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1557621473 DHCAPJVGFPXNGE-HUUCEWRRSA-N 418.519 1.208 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1560192494 HONOUMOJXSPTMH-LURQLKTLSA-N 417.318 1.901 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OCC 1561573950 KJUZQGTXAMIAGK-ZDUSSCGKSA-N 418.899 1.884 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1566673246 CVBYZNICENTRHV-IRXDYDNUSA-N 406.527 1.058 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)n1 1569302185 FODZFYACHHCPJU-LLVKDONJSA-N 412.393 1.955 30 10 HDEE CCN(C)C(=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1583290173 PAOUJIUOPTVSSU-WMZOPIPTSA-N 413.478 1.382 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)Cc1ccc(Br)cc1C#N 1584579620 AMRVVAPSFYELBR-UHFFFAOYSA-N 422.326 1.037 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC[C@H]2CCOC2)CC1 1585675588 XXCFOXCLYFMWQV-MZNRPPOFSA-N 400.519 1.679 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCCCO)c1 1587693483 TTYGLUNTOHFBNL-SFHVURJKSA-N 424.505 1.448 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(S(C)(=O)=O)CC2)CC1 1588857182 KDUOYSGUHMDEMZ-UHFFFAOYSA-N 419.576 1.263 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1 1589482246 ICPONUXHZSQDDD-SJORKVTESA-N 401.515 1.767 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594228957 FDHGVEJUMPCBIJ-GOSISDBHSA-N 424.505 1.544 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1594807423 ONXVGFVFTBNMPS-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1)C1CC1 1595054225 DOYCPDGRXOVFKW-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1595544534 JPQHHEAINQCLBJ-IRXDYDNUSA-N 418.542 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1595798231 NXCAUNJQOLMDSJ-KRWDZBQOSA-N 407.540 1.903 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1595993714 UZAOPJUMKNDMAF-DLBZAZTESA-N 412.494 1.990 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)C1=O 1611275873 KCZIMKYUTLQBQH-UHFFFAOYSA-N 411.336 1.667 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@H](CO)Cc2ccccc2C(F)(F)F)c(=O)nc1O 1622414249 CQZLZPZKYQUYKT-GFCCVEGCSA-N 424.379 1.197 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCCCCS(N)(=O)=O)CC2)c1 1626475439 PPWNLYKHTIIEKY-UHFFFAOYSA-N 420.535 1.974 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 1627429137 REUZODQOCLUAJJ-SGTLLEGYSA-N 414.443 1.089 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)nn1 1629345829 HIHKQVDNBBKHLR-UHFFFAOYSA-N 417.535 1.844 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)c(=O)nc1O 1629597200 GDNDTYJCZIKDGW-ZDUSSCGKSA-N 414.384 1.418 30 10 HDEE C=CCN(C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1630846774 BGZDBFDQMCVUGO-OAHLLOKOSA-N 416.540 1.340 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1633190946 QWXXHHFXHOMVJJ-IIBYNOLFSA-N 424.542 1.306 30 10 HDEE CCNC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C)s1 1634415388 QPHOMIYTIOBRGM-LLVKDONJSA-N 420.516 1.983 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C1 1638075398 QRWIXWYBTVFOJB-AEFFLSMTSA-N 418.519 1.660 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NCc3ccc(CC#N)cc3)c(CCO)c2=O)n1 1638988969 AJRPABGVMVUSPI-UHFFFAOYSA-N 406.446 1.103 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)nnc1-c1ccco1 1639529391 RLXHTTUCFAFKTJ-LSDHHAIUSA-N 403.508 1.484 30 10 HDEE CNS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1639701704 BQPGMFSRDGSXRL-AWEZNQCLSA-N 413.459 1.426 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CCn2ccnn2)s1 1640536589 CFEOFVKZUNOULY-OAHLLOKOSA-N 423.564 1.818 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)cc1 1642744484 JQZNXPGBTUCZHZ-IBGZPJMESA-N 401.488 1.643 30 10 HDEE CN1C(=O)N[C@](C)(c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)C1=O 1643844104 MMLRMDSSGDHZAI-OAQYLSRUSA-N 405.414 1.324 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OC 1648791267 MPIBCELYRQUGQN-INIZCTEOSA-N 401.419 1.119 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C2CCOCC2)C2(CO)CCC2)CC1 1653975962 NEZSKDZCDQKZHJ-TZIWHRDSSA-N 406.571 1.226 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CCOCC1 1654005001 UUIMUWXDHYPWLI-IBGZPJMESA-N 420.941 1.967 30 10 HDEE Cc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1 1654975475 SUUCITCYOQJEBW-BLLLJJGKSA-N 412.309 1.566 30 10 HDEE N#Cc1cccc(Br)c1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1655002283 RKGDIAICXYNRLZ-UHFFFAOYSA-N 405.252 1.118 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 1655326197 CODNFYMULICMDB-JSGCOSHPSA-N 419.322 1.661 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1655606891 ZDPCQKHZLDFPNL-SNVBAGLBSA-N 419.253 1.697 30 10 HDEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC12CCC2 1659388081 PFQYVFXMRYLVFE-UWJYYQICSA-N 408.518 1.436 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1659606724 AZJXZZZYZXHDQW-UHFFFAOYSA-N 414.315 1.984 30 10 HDEE CO[C@@H](CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 1663140439 BGSSVKVUNGTRAJ-UXHICEINSA-N 413.499 1.966 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)CC1 1667005556 VGMDYLHIHFOJHS-UHFFFAOYSA-N 414.506 1.364 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1669272066 GBQZXMWZCLMRNQ-VXGBXAGGSA-N 422.320 1.808 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1671717347 MGDXZHPCSQKYFM-UHFFFAOYSA-N 412.533 1.240 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCOCC1 1674276672 NOHGVSYKDADOGZ-LJQANCHMSA-N 405.520 1.149 30 10 HDEE CCOc1ccc(Cl)cc1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1680728874 VMMSABNFCKOWAM-KSSFIOAISA-N 411.911 1.861 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680779327 VVUQWKIDDWHODF-PMACEKPBSA-N 406.490 1.809 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCCCn2cc(Br)cn2)CC1 1681995930 QPGBMTXKPGZCNR-UHFFFAOYSA-N 412.288 1.914 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2)c1 1682384389 CZUFQFDSOSTYDW-FGZHOGPDSA-N 411.550 1.763 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCCn3cc(Br)cn3)CC2)cn1 1683021220 YQFBZWCCOHOKEJ-UHFFFAOYSA-N 418.299 1.834 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3cc(F)ccc3OC(F)F)C2)c(=O)nc1O 1684214749 OCXQYVNLIKSKJZ-UHFFFAOYSA-N 409.324 1.328 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1686315561 RQCWPMAUNWWPDI-BPNCWPANSA-N 409.284 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1689851233 NVAGBLFGDOUPSN-GDBMZVCRSA-N 418.519 1.704 30 10 HDEE C#CCCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@]1(OCC)CCOC1 1689941970 YWEDJIAEVKVZGJ-NRFANRHFSA-N 413.526 1.852 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1689988285 LXTJEEBZAYBJKH-INIZCTEOSA-N 417.560 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1n[nH]c(C)n1 1690053636 FUKSJXXQWXPRJB-UHFFFAOYSA-N 422.518 1.402 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1690072821 VOJSTPUXJVZINL-UHFFFAOYSA-N 424.530 1.998 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(CS(C)(=O)=O)CC1 1690102141 DGYXCEGTGAHWBD-INIZCTEOSA-N 410.540 1.431 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](CC)OC)CC1 1690122367 OZNOXJGHHWMBNG-INIZCTEOSA-N 421.505 1.774 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC2CCOCC2)CC1 1690124323 IXTRCNSXKILIDB-HXUWFJFHSA-N 417.554 1.371 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCOC1=O 1690196112 YSGFDBJJEPRLPF-NHCUHLMSSA-N 417.510 1.765 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1690264965 HRKZRBIHERYHEV-OAHLLOKOSA-N 411.572 1.745 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690469050 BWVCYZVIFXOWGE-NRFANRHFSA-N 413.526 1.966 30 10 HDEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C#N)CC2)C1 1696876615 QFJXCZGAECYXLL-OAQYLSRUSA-N 416.476 1.954 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1697834894 WVFKAKKMQJCBRL-OAQYLSRUSA-N 421.461 1.701 30 10 HDEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1698450606 JRPNQSYXZGCDSV-CABCVRRESA-N 415.498 1.926 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)o1 1698488135 KOEPOIBYNJRGAE-LJQANCHMSA-N 420.473 1.784 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1698494362 VHINRHZYTDHQJM-VXGBXAGGSA-N 407.368 1.428 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@H]2CCCO2)CCO1 1698494601 XIWFSNITULIAQK-KURKYZTESA-N 405.499 1.834 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705534081 YLYNTEXDAVWMAD-WOJBJXKFSA-N 422.533 1.498 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)(C)C 1705544998 LLJXDSSTVOIYGK-UHFFFAOYSA-N 417.535 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CCC1 1705575052 WTFAAGLFPFZYMD-LGGPFLRQSA-N 418.563 1.693 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1705614957 CEOQTQLFOXKOFV-FQEVSTJZSA-N 409.582 1.997 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCS1 1705629080 WSPDEPNTAXAEBS-QAPCUYQASA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705663230 ADEQWYAPAKPWPM-KRWDZBQOSA-N 419.576 1.638 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705830046 IMEIPJATGMJFCQ-MOPGFXCFSA-N 405.543 1.676 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1705837007 NBNINCRGKSXALF-LIRRHRJNSA-N 406.508 1.511 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705886667 CKWIEVNEPQZBDS-CQSZACIVSA-N 412.560 1.158 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1706078395 XAXLHYOLKBJQSK-CQSZACIVSA-N 408.503 1.543 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)cs1 1707755508 QFZOVXHMWZCWGY-RKOGDMNLSA-N 408.528 1.987 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1707951789 FIFAILSMXXFOCD-YOEHRIQHSA-N 421.505 1.398 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1709185796 DYQRUKMGAWRWHK-SJORKVTESA-N 421.505 1.446 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1710423861 LIUFUDULFIJQNJ-STXHMFSFSA-N 404.515 1.441 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1711215887 FCSWBPVKEQSYAS-UHFFFAOYSA-N 416.493 1.911 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CCO1 1711360269 FGWHHTXGXGSGIZ-ZWKOTPCHSA-N 424.505 1.583 30 10 HDEE CO[C@]1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1711632454 BBZWHSSQOGWGLM-LSTHTHJFSA-N 407.515 1.720 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(=O)OC)C1 1722333950 QDANAOZUWGUQAE-GOSISDBHSA-N 423.521 1.865 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1722342706 VZMZJQIPZQSEBL-SJLPKXTDSA-N 418.567 1.569 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722363603 ARHOURIEKFHYAA-WMZOPIPTSA-N 417.535 1.173 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722364687 ALURTGSFLAMBFY-INIZCTEOSA-N 405.524 1.838 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1722432970 VVEMTIJEYWKVST-UHFFFAOYSA-N 421.461 1.896 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)N(C)C)CC1 1722440567 AXQXWXBQOOHFQJ-SFHVURJKSA-N 412.538 1.571 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[C@@H]2COCCO2)CC1 1722446943 BWDHLORYHYJBAJ-LJQANCHMSA-N 415.538 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1CCOCC1 1722468505 MGWLETZHCJTETA-WIYYLYMNSA-N 405.543 1.717 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722580877 PBFQQEAXAONVFG-OKYOBFRVSA-N 406.527 1.944 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722694929 MGOBIGNEDSGTIQ-KRWDZBQOSA-N 409.494 1.288 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722695276 YNXYHAOXXUTVEV-KRWDZBQOSA-N 408.506 1.742 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722701356 OBMMDKOYUSPHBD-FQEVSTJZSA-N 421.567 1.328 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1722862308 BHVXJNIAKNRWLF-ZIAGYGMSSA-N 424.502 1.702 30 10 HDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1727456042 FGHRCSBVJRYIBG-MRXNPFEDSA-N 404.434 1.734 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1730302710 ZOLTVZWHJBQKFE-DYESRHJHSA-N 413.478 1.412 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCC2)CC1 1740704069 HGHYMPMTTLDSSC-UHFFFAOYSA-N 424.553 1.129 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740881046 VRFYWDSOYWNNRM-QZTJIDSGSA-N 403.527 1.970 30 10 HDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1740888174 QEEOVZIHCMPDHN-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740894513 WXBNIERDDOXOJQ-INIZCTEOSA-N 400.508 1.720 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1740950886 LQYASAVBYFYWQY-DLBZAZTESA-N 418.542 1.362 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCOC2=O)C1 1740981056 LTCDGKIHUVETDF-GOSISDBHSA-N 412.494 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@H]1C 1740988100 SRFNYIKRLHPKJD-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1742006761 FUWAFAWYEBVDEH-MRXNPFEDSA-N 410.478 1.623 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)O 1748038294 YGCLHTMPXPKYEB-UHFFFAOYSA-N 406.494 1.648 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748816104 WWUXOTUWSKKJOP-QGZVFWFLSA-N 411.487 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccs1 1748836197 RQIUVECOKWJAKQ-UHFFFAOYSA-N 401.459 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1748848907 XFUUXJKASYDYOE-UHFFFAOYSA-N 414.506 1.906 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC 1748948552 RAAGLAZBMDCTGF-QGZVFWFLSA-N 421.498 1.458 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(OC)c1OC 1748962864 SNOYOUWBUHCYDG-KRWDZBQOSA-N 400.479 1.934 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1749447367 DGJRIDGNWPEXGT-UHFFFAOYSA-N 403.483 1.734 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1749459455 KKMKNOGLMPVVNO-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCOCC1 1750006611 HRWZFYPSAMKNHS-FUHWJXTLSA-N 407.515 1.938 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCS(=O)(=O)C1 1750117763 DBCOKBSXDMBASF-WCVJEAGWSA-N 411.528 1.033 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCN(C)C1 1750140169 HIRBFZJYBLKGQE-FIKGOQFSSA-N 418.542 1.199 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC 1760102366 IWGMIERBTGJPAI-CQSZACIVSA-N 406.508 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760105227 MOXIDCXULBVHBS-GJZGRUSLSA-N 416.913 1.946 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1760130436 IJMJJWBUIKJDMS-QGZVFWFLSA-N 422.599 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1760220216 DRWRBUIKBNSCJY-IBGZPJMESA-N 418.501 1.628 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1ccc(F)cc1 1760221951 QLYMJKDWQVNDHS-UHFFFAOYSA-N 422.464 1.641 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC2CCOCC2)CC1 1760260618 ZNBSOMJOCUFJLN-SFHVURJKSA-N 400.527 1.191 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1760272372 IFMHDTROPSXIOS-UHFFFAOYSA-N 422.599 1.330 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760422970 VBVZZRUZHHPAJD-XHSDSOJGSA-N 424.571 1.207 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CC2)C1 1760539270 ZMRLWPDXNAOPKW-VGUHALLBSA-N 424.567 1.623 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1760688054 ZNGAPTOQEOZGKJ-OAHLLOKOSA-N 419.493 1.943 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)c1ccccc1 1760690964 HQBCDMWSQOUKRY-HNNXBMFYSA-N 413.507 1.748 30 10 HDEE CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1762516485 IZPMODFALDGZMJ-DLBZAZTESA-N 407.515 1.938 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1767958759 APYRXVFPVUQAHD-MRXNPFEDSA-N 420.514 1.943 30 10 HDEE CO[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1768022180 GCCSHFKDMTVBLZ-YWZLYKJASA-N 414.489 1.929 30 10 HDEE COc1cccc2c1CCN(c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O)C2 1770383409 YWKBQKDLXJFNMJ-FMQUCBEESA-N 408.462 1.684 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1770740884 XUDOMPQUEDARFZ-MOPGFXCFSA-N 408.462 1.741 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1770748187 CJWIGTXSHBOUAL-VQIMIIECSA-N 415.494 1.863 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C)n(C)c1=O 1771281262 BVEBHIMTKWGOMV-JLSDUUJJSA-N 414.510 1.653 30 10 HDEE N#Cc1c(O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc2sccn12 1849753266 QGTPGCNZFPQXTI-LSDHHAIUSA-N 407.455 1.658 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN1CCCCC1 1850306615 SDLCHHVLENFMCC-LJQANCHMSA-N 420.579 1.398 30 10 HDEE N#C[C@@H]1CN(C(=O)CCCN2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1Cl 1850415009 IWAXNGJKFRIDSN-NVXWUHKLSA-N 409.939 1.916 30 10 HDEE C[C@H]1NC(=O)[C@H](CC(=O)OCc2cccc(COc3ccc(C#N)cc3)c2)NC1=O 1850522579 FBJOTYQAORNSFW-KUHUBIRLSA-N 407.426 1.574 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)COc3cnc4ccccc4n3)CC2)nc1 1851146709 PXZADYLWNISCDA-UHFFFAOYSA-N 418.457 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CNC(=O)Cc1cc2c(cc1C#N)OCO2 1852050206 BMWDPJZBTZBHEO-OAHLLOKOSA-N 403.435 1.582 30 10 HDEE CC(=O)Nc1cccc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852102082 PPMRWLGPVVYHNE-IBGZPJMESA-N 424.457 1.848 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852468580 NOAQJTGFWYGWMB-HKUYNNGSSA-N 422.441 1.674 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)OCCO[C@H]2CCS(=O)(=O)C2)c2ccccc21 1852634848 ADUHEVIIJOQPLZ-INIZCTEOSA-N 422.503 1.821 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccccc4C)nn3C)C(=O)C2)C1 1853740903 GCOSKAUYAMEUOJ-SFHVURJKSA-N 407.518 1.940 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@H]4CCCS4)C3=O)CC2)CC1 1853743422 MWKSCUYOCZMARG-ZWKOTPCHSA-N 418.563 1.484 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1=O 1853828431 LYJPJLQIBHFONH-OALUTQOASA-N 411.502 1.886 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCN(C(=O)CCn3cncn3)C2=O)CC1 1853852879 BEILUFPITHHXMP-IBGZPJMESA-N 406.490 1.743 30 10 HDEE COc1coc(CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)cc1=O 1854216196 QLTAKSFLGNVSNJ-UHFFFAOYSA-N 409.442 1.712 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CN(C)C)CC1 1854430648 COUKRSUANPCDQP-UHFFFAOYSA-N 405.520 1.785 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cnc3ccccn3c2=O)C(=O)C12CCCC2 1854454664 RTFVMELTDRISFN-MRXNPFEDSA-N 407.474 1.984 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)C1=O 1854886899 HEUWJESKFCCDHB-INIZCTEOSA-N 409.895 1.619 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@H](C2CCN(CCCC#N)CC2)CC1=O 1855020279 HXGPMAGZICXGOU-MRXNPFEDSA-N 400.479 1.398 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1855312134 MXQXKAJFHDCQQM-QZTJIDSGSA-N 423.579 1.630 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CC(C(=O)N4CCCC4)C3)C2=O)cc1 1855782440 AONVQADRGFFJAJ-HXUWFJFHSA-N 408.502 1.563 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1CCC#N 1855911691 IZNROTOAFBTDNI-UHFFFAOYSA-N 418.519 1.448 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(Cc3nnc([C@H]4CCOC4)o3)CC2=O)cc1 1855916637 XQKNDJLGPYBJKU-KRWDZBQOSA-N 409.446 1.249 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@H]2CCC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1856261572 BLYOLHCBZFGWJT-KBPBESRZSA-N 418.448 1.279 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCOC4)C(=O)C3)C2)s1 1856326199 DCMIRUYODYPVJA-JKSUJKDBSA-N 402.520 1.291 30 10 HDEE Cc1cnn(CCN2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)c1 1856386319 DVBUXTIDGRAKOM-FQEVSTJZSA-N 406.490 1.122 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3CCN(S(=O)(=O)CC)CC3)cc21 1858635927 FKIZWOXLZMSNNK-OAHLLOKOSA-N 421.519 1.137 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861259759 CGZUOKOYPWXMDQ-ROUUACIJSA-N 415.877 1.428 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@H]1c1cc(OC)c(O)c(OC)c1 1864954979 IPNUJOHSBKZJLL-MRXNPFEDSA-N 414.462 1.931 30 10 HDEE C=CCn1c(C(=O)NCc2ccco2)cc2c(N3CCN(CCO)CC3)ncnc21 1873593211 JLRPDMHQOANHCU-UHFFFAOYSA-N 410.478 1.255 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985098543 WPKFATSGCIPCHU-JLNYLFASSA-N 410.320 1.811 30 10 HDEE CC(C)CN(C(=O)CN1C(=O)CSC1=CC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 2040787202 YAGDKBNHGOJOKN-CQSZACIVSA-N 414.549 1.054 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCO 2066563856 IQHSYOYYWAAXHG-CYBMUJFWSA-N 418.496 1.369 30 10 HDEE C=CCN(CC[C@H](CS(=O)(=O)N1CCOCC1)NCC)C(=O)OC(C)(C)C 2155520997 JMSRBYCNSSCUQN-MRXNPFEDSA-N 405.561 1.440 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N)NC(=O)OC(C)(C)C 2162923951 CNANGLAXFZUDGQ-QYOLQKOISA-N 416.525 1.840 30 10 HDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NS(=O)(=O)C[C@@H](C#N)C(C)C)C1 2174776799 AATZJDNJBYDTKE-PBFPGSCMSA-N 403.501 1.300 30 10 HDEE C[C@@H](O)CN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 2174783938 INANGSJOXCWMKY-GFCCVEGCSA-N 401.460 1.594 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177630627 GQFDEEASOBZAMG-WDEREUQCSA-N 403.331 1.589 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)[C@H](C(=O)O)C1)C(F)(F)F 2180580156 ZDNDMXBBZNAJMT-CDUCUWFYSA-N 400.222 1.554 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 2181109718 HUMDEQQPHWVSRC-UONOGXRCSA-N 402.517 1.243 30 10 HDEE CC(C)(C)OC(=O)NCCN(C1CCOCC1)S(=O)(=O)N1CC[C@@H](C#N)C1 2186619904 IAGGDAHVDKTPFB-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)Nc1ncc(I)cn1 2189859280 DHZZOIQLMRLFLG-UHFFFAOYSA-N 401.189 1.336 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1nc(Cl)ccc1C#N 2192698682 WYSPPGMVQHSQBN-NSHDSACASA-N 416.887 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)Cc1cc(F)cc(C#N)c1)C(=O)O 2195346279 PPHKKWPUFQLFLB-AWEZNQCLSA-N 400.428 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2217456233 NXMOODWJZJDEAM-GOEBONIOSA-N 419.331 1.442 30 10 HDEE CCOC(=O)CS(=O)(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237723713 CLXAVBXEKMBRTC-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2243389678 WRDJBAVXSAAKFU-QWHCGFSZSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243493918 WSKNBFLSVCLHLE-UHFFFAOYSA-N 406.292 1.420 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243698937 WNHKJQDDTZLJLU-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247660044 BVYCQBVLSXFUHS-CYBMUJFWSA-N 419.287 1.800 30 10 HDEE Cn1ncc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247778592 FBEQFIMWBSGBKQ-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247814689 TXVGVKJEAWJPMQ-FKIZINRSSA-N 418.303 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828499 OKMCUMSVQPZOGX-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247928128 XHNWUAWYRGMFSI-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248054345 HICMDCDNTIRWLW-UHFFFAOYSA-N 422.291 1.352 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(C3)OCCO4)cc2F)OC1(C)C 2267363217 GANMARPJPGBEDF-UHFFFAOYSA-N 413.276 1.262 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)OC1(C)C 2267371149 WGCQRHJOJGWGEL-UHFFFAOYSA-N 409.313 1.513 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C(=O)[C@@H]1C 2282490166 GTZQZUDPGDXGQL-GHMZBOCLSA-N 400.331 1.387 30 10 HDEE COC1(OC)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282500013 UVYHEULWHJOUGO-UHFFFAOYSA-N 403.331 1.431 30 10 HDEE C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503748 FIPWLMUPFUCGOU-NEPJUHHUSA-N 400.737 1.749 30 10 HDEE C[C@@H](CN(C)C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282503777 FXDMDDGEFBAPQM-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(F)C[C@@H](N)C1 2282825800 NDXZPKFOXDBIDD-AITUWYQGSA-N 404.338 1.463 30 10 HDEE CO[C@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282828228 KPBFZPUVRJZREK-MNOVXSKESA-N 423.749 1.393 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCCN(C)C 2282829134 ACBNJXQMOVFLCY-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCCO2)OC1(C)C 2282830146 PLQAGGGVYAMIRM-LBPRGKRZSA-N 402.347 1.431 30 10 HDEE CC[C@H]1NCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282831936 GWDWWGGULQPDSY-OLZOCXBDSA-N 400.375 1.775 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@]1(C)CO 2282838551 QCHJDHSFAJXKHN-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)NCC2CCNCC2)sc1B1OC(C)(C)C(C)(C)O1 2282840467 HECNTPJQDUKZFJ-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE CC(C)C(=O)NCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858480 XVFDTOYFSFCSKY-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CCC[C@H]1CNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282864001 BCQLQJPFRCIGAM-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](C)S(C)(=O)=O 2282879269 RCOBRXVOWWSNHJ-QWRGUYRKSA-N 423.387 1.147 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284401664 JLBVRMYAVZJPAJ-GFCCVEGCSA-N 403.331 1.720 30 10 HDEE Cn1nnc(Br)c1[C@@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2296217065 QFSCQMLIWYAKLA-JQWIXIFHSA-N 400.074 1.753 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2296248134 SNVUFTKRSHOBDN-GWCFXTLKSA-N 402.347 1.226 30 10 HDEE O=C1c2ccccc2C(=O)N1CCc1nccn1Cc1nc(C#CCCO)cs1 2342915225 MBWJYFJYXUMEPH-UHFFFAOYSA-N 406.467 1.961 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363540574 ZHSYOGKLNNUCJN-KDOFPFPSSA-N 413.565 1.945 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2365202383 NSCOQPWSVRJGQP-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@H](N)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365204978 QPBZYKFVRVQVIJ-CABCVRRESA-N 402.557 1.945 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2C1 2365205567 BRDVSTSISYERLX-YGTYGHESSA-N 400.541 1.148 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C 2367797613 WCPBHMHSFJJLMZ-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367802382 AKGTWVXVICKBRN-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367814895 FCFOJRBJBCUTHR-RKVPGOIHSA-N 400.541 1.163 30 10 HDEE CN(C[C@](O)([C@H](N)C#CC1(S(C)(=O)=O)CC1)C(C)(C)C)C(=O)OC(C)(C)C 2367818967 NUXHNGWIMFAEKV-KUHUBIRLSA-N 402.557 1.538 30 10 HDEE COCCNC(=S)/N=C(\NCc1ccc2c(c1)OCO2)Nc1nc(C)cc(C)n1 14157842 RBPKITLYIYRXGW-UHFFFAOYSA-N 416.507 1.901 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(c2ncccn2)C1 46424793 WELUPFZEKXUDNU-KRWDZBQOSA-N 404.478 1.726 30 10 HDEE C#CCN(C(=O)c1ccc(F)cc1I)[C@@H]1CCS(=O)(=O)C1 221947149 XWMKNWIVENBIOH-LLVKDONJSA-N 421.231 1.693 30 10 HDEE C[C@@H]1CN(CCC2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C[C@@H](C)O1 301567227 QGVSRELTEDNPOO-HZPDHXFCSA-N 406.552 1.921 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C[C@@H](C)O2 431248505 RCURFBOMZAPBGW-JXXFODFXSA-N 406.504 1.658 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 433556044 XLCMKAGHDUHSAD-DOTOQJQBSA-N 419.437 1.849 30 10 HDEE COC(=O)CC1(NS(=O)(=O)c2cc(C#N)ccc2Cl)CCS(=O)(=O)CC1 439082851 APNGOHWERAVJOK-UHFFFAOYSA-N 420.896 1.000 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 467053713 LNNGCEKTYNZYKF-SDNTUTLCSA-N 405.476 1.025 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1C#N 472269364 VFQSHISWHMJKLG-FQEVSTJZSA-N 400.483 1.510 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 474150633 AMRMCMCXGAXVBH-WOJBJXKFSA-N 414.550 2.000 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C#N 489098312 GZBAXSIXVLRYQP-UHFFFAOYSA-N 422.532 1.568 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ncc(Br)cc2Br)CC1 503625770 DPVJGPWLTNHMQZ-UHFFFAOYSA-N 416.073 1.805 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 503644007 RYFQWUMIUUCYLQ-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 508711948 GFMUDYPJZWVSIL-KGLIPLIRSA-N 403.499 1.532 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 510100736 SUWLWGOZCZOJJA-HNNXBMFYSA-N 400.460 1.757 30 10 HDEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 515006226 ANGPGFURLPARHX-UHFFFAOYSA-N 418.494 1.761 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(C)n2)c1=O 522276361 NJWGMFHBKMMOMG-UHFFFAOYSA-N 403.529 1.584 30 10 HDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@H]1CCS(=O)(=O)C1 532587653 XRPUACTUQJLUDO-OAHLLOKOSA-N 402.438 1.540 30 10 HDEE COCCCS(=O)(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 540200910 QDYYRXCDZYTEDN-UHFFFAOYSA-N 401.488 1.797 30 10 HDEE COC(=O)C1(O)CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542964315 MGKBIOWYQNQPLC-UHFFFAOYSA-N 403.826 1.929 30 10 HDEE CCN(CC)CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 550241714 JJWWIPTYSNRXOF-AEFFLSMTSA-N 407.536 1.683 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCC[C@@H]1c1ccccc1 552155834 GMMSAMUECYURTH-AEFFLSMTSA-N 408.506 2.097 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 552940846 LVPOISVAPVPRQN-UHFFFAOYSA-N 419.463 1.164 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)cc1 564527907 FFEUHWPMGGGQPV-UHFFFAOYSA-N 420.516 1.698 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(C)(=O)=O)c2ccccc2C1 581398500 RKLGJLBJFQNJPE-QGZVFWFLSA-N 419.507 1.338 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)[C@H]1CCOC1 583840588 GIYYEVBMMDDPJW-HNNXBMFYSA-N 410.478 1.620 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NC3(C#N)CCCC3)cc2)CC1 585705312 NFKOGKPXTMVHQA-UHFFFAOYSA-N 404.492 1.106 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccnc2OCC(F)(F)F)c(F)c1 585710782 WYDFTNLFNNQGRK-UHFFFAOYSA-N 410.327 1.966 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 603436475 QJCOCQKNEWCXKU-UHFFFAOYSA-N 419.528 1.468 30 10 HDEE Cc1nc(=NC(=O)CSc2nnnn2C2CCCC2)n(-c2ccc(C#N)cc2)[nH]1 610109842 FXXOUJNIXPCQJR-UHFFFAOYSA-N 409.479 1.702 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccc(C#CCCO)cc1 703969273 JPPJRLISVDPATN-UHFFFAOYSA-N 412.467 1.136 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOC1=O 728277961 MAYHCSWJXDENHY-OAHLLOKOSA-N 422.507 1.242 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 731619958 ZVNMTWBBLLTORT-XQQFMLRXSA-N 407.330 1.121 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)c1 732975477 LJUXSNNZCKLVFD-UHFFFAOYSA-N 409.508 1.890 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 733888621 BADOPBKQRQBQFC-MRCUWXFGSA-N 400.454 1.823 30 10 HDEE Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737304916 DIXBKTJGLSYRRQ-ISLYRVAYSA-N 400.435 1.363 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N 746712095 ZOHUQONPRVXNJJ-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCSCC2)C1=O 756029345 ZAZYAFRXRLTSRH-LJQANCHMSA-N 416.503 1.676 30 10 HDEE COC[C@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 758226842 QTCLQJKGTOCFLA-RWZYYMRUSA-N 412.512 1.408 30 10 HDEE COCc1cncc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 765591013 PPXJOYXHCYKYQW-IBGZPJMESA-N 423.429 1.807 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1C#N 766838983 BXYDBCZLZVCPGT-UHFFFAOYSA-N 409.851 1.563 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCN1C1CC1 774243201 SKVYCQGXDRKJLM-DBDZUICISA-N 414.409 1.451 30 10 HDEE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 777957002 OKJHGFZTYPMJKL-UHFFFAOYSA-N 405.411 1.820 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)n1 788815259 OCEMKIUCTSFOGU-HNNXBMFYSA-N 416.428 1.823 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)cn1 790360104 CWMVZRDBOYQEAO-UHFFFAOYSA-N 413.466 1.328 30 10 HDEE COC(=O)CC1(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CCS(=O)(=O)CC1 790947808 BPPJMBVAQNCRTQ-UHFFFAOYSA-N 417.405 1.684 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 792892235 VQBJLTSTTFWMJW-IRXDYDNUSA-N 408.543 1.468 30 10 HDEE C=CCn1c(=C(C#N)C#N)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793470354 WMNJXCBZCBDNPN-UHFFFAOYSA-N 401.451 1.588 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2ccc3c(c2)OC(F)(F)O3)c1 803218116 NTKBYDBIUZTIRE-UHFFFAOYSA-N 410.354 1.901 30 10 HDEE C#CCN(C(=O)N[C@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 812561138 DSRSKAFFISTWLY-MJGOQNOKSA-N 402.516 1.913 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)OCc1ccccc1 814283916 ASGHDUPDCBIRMK-UGSOOPFHSA-N 406.435 1.610 30 10 HDEE CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1129095085 FSZUUMJIIOFQJK-DZGCQCFKSA-N 404.854 1.864 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@]2(COC)C(=O)OC)ccc1F 1131115356 LXEWNCKSENNGTH-GOSISDBHSA-N 414.455 1.084 30 10 HDEE COC(=O)c1ccn(CC(=O)Nc2ccc(C#N)cc2I)n1 1133744105 BQKPOXPRKYYVAP-UHFFFAOYSA-N 410.171 1.785 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H]3CS(=O)(=O)NC)n[nH]2)c1C 1137061433 HXCBOBGECUXEEA-CQSZACIVSA-N 406.512 1.230 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1137589460 KUEZVZJGOPSOST-UHFFFAOYSA-N 409.382 1.985 30 10 HDEE N#Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)ccn1 1139855766 LDROHMYJLUQBCF-ZXYDQQDNSA-N 403.442 1.373 30 10 HDEE Cc1nc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1141411532 ATXXXQVIELSLBV-UHFFFAOYSA-N 404.517 1.707 30 10 HDEE N#Cc1cccc(OCC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 1142741114 AFKQYAWJMPPRCG-UHFFFAOYSA-N 413.499 1.484 30 10 HDEE N#CCCCOc1cccnc1NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1143247764 ZQVDYBAZZZFCIG-UHFFFAOYSA-N 403.460 1.711 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 1155874078 UMYLEZXVCRZAPV-UHFFFAOYSA-N 417.575 1.918 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156669847 LCJOJUIRVZJNRT-QZNHQWIBSA-N 411.524 1.419 30 10 HDEE Cn1cc(C[C@@H](CO)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1157613579 SFJORBZVMYEEBS-MRXNPFEDSA-N 404.492 1.079 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc2c(c1)OC(F)(F)O2)c1cc[nH]n1 1162949196 QCCVDMLEOBIOPP-UHFFFAOYSA-N 410.333 1.331 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(CSC)n[nH]3)ccc2c1=O 1178069714 LNHWCMPNFSRMDK-UHFFFAOYSA-N 402.505 1.782 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCCC[C@@H]1SC[C@H]3NC(=O)N[C@@H]31)C2 1179869990 ZARQBCCXSCINJV-WWGRRREGSA-N 405.549 1.812 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1210542922 DTVYDTXFQYPCNV-HNNXBMFYSA-N 420.514 1.247 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1286269160 CRWZFVISJGCNJJ-QGZVFWFLSA-N 408.506 1.710 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286327641 JWJGJUJZNWEDAE-SFHVURJKSA-N 416.551 1.585 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1286363964 VSQFACPFRAOZKW-PBBNMVCDSA-N 416.547 1.926 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1286389512 LGEAHDORDNQVED-INIZCTEOSA-N 414.535 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC[C@H](OC)C(F)(F)F)CC1 1286491206 IRHLEPCKRWBARS-AWEZNQCLSA-N 401.433 1.774 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286509480 REFDKJAWDMOPKG-INIZCTEOSA-N 405.568 1.843 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1288241764 OGKXWBQJZBOXMV-CYBMUJFWSA-N 404.421 1.400 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1288513283 DAECJEQNRWKIDO-CQSZACIVSA-N 417.901 1.981 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)cc1C 1289734917 FJCJASPWILBJGP-FQEVSTJZSA-N 423.456 1.881 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1291189435 BDYDYWMEWPQYGU-KRWDZBQOSA-N 423.521 1.206 30 10 HDEE Cc1ccc(C(=O)NCCCN2C(=O)CCC2=O)cc1B1OC(C)(C)C(C)(C)O1 1292871623 ISPRGZOTUORGNZ-UHFFFAOYSA-N 400.284 1.563 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCOC(=O)N2)CC1 1293136125 CPTDGOUJJBKREL-HUUCEWRRSA-N 407.268 1.656 30 10 HDEE C#CCN(CC(=O)N[C@@H](CCC(=O)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1300175402 KTJPGLWRFWYMON-AWEZNQCLSA-N 412.483 1.636 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300308399 OMDQDCQMUZTGQH-BZSNNMDCSA-N 402.543 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccccc1)OC 1300505724 GUMKWGTUYBQRBR-FQEVSTJZSA-N 405.502 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(C)=O)c1 1300650993 YCJUOJBJVKVMQG-UHFFFAOYSA-N 424.505 1.607 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300665979 QSKDDPVITATLPS-LVCYWYKZSA-N 404.511 1.596 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1300765470 FECIFBNHANQPQE-LJQANCHMSA-N 412.563 1.556 30 10 HDEE C#CCSCCn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1300778466 WWVHJMWWJIBEFE-RXVVDRJESA-N 419.595 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300870177 QWBUVBZNYZEREP-FPOVZHCZSA-N 416.570 1.702 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1300971828 BFYXNKJHQUSYKS-KSSFIOAISA-N 400.483 1.235 30 10 HDEE CC[C@@H]1[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 1300995606 ZPDGNIFJKCWXAS-AUVQNDJMSA-N 406.483 1.807 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301002125 UNWKABGILJESCL-ZWKOTPCHSA-N 402.499 1.824 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](CC(F)(F)F)O1 1301255826 OCHITIQEQCQNKT-GHMZBOCLSA-N 405.398 1.293 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301454277 RGCGCYAONRNZJT-GFCCVEGCSA-N 402.484 1.122 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2ccnn2C)C1 1301490911 IDRNIHDOIARGMT-HNNXBMFYSA-N 409.498 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1301569037 OHSYYAKPQOCLBG-UHFFFAOYSA-N 411.478 1.792 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1302175225 UPEFJBSEUVJAOV-LJQANCHMSA-N 407.478 1.840 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CC3(CCOCC3)CO2)cc1S(=O)(=O)NCC#N 1302582886 NEZQAYBBDDZROV-MRXNPFEDSA-N 407.492 1.112 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCOc1ccc2c(c1)OCO2 1303323835 DBUYBGYDNCXCIV-CQSZACIVSA-N 414.466 1.962 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1 1309892056 PZRVXAQCXYLWFW-UHFFFAOYSA-N 417.453 1.697 30 10 HDEE CN(C)CCOCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314672670 FFYDORJQRJCWBN-IBGZPJMESA-N 401.559 1.690 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1OC 1323411200 HYUVVTNXCNZIMF-ANNUQZOISA-N 412.446 1.909 30 10 HDEE Cc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1-c1cccc(C#N)c1 1354427532 HSQCWXFGRSSCJN-UHFFFAOYSA-N 402.418 1.736 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CCCS(=O)(=O)C2)c1 1355983931 JMAFDDYXMDUCBD-SFHVURJKSA-N 418.515 1.075 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC 1358971735 HPVFWSGFODWZGX-UHFFFAOYSA-N 411.462 1.180 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359028588 XLQCNVRQGOCEGL-HTAPYJJXSA-N 418.586 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCC3(C2)OCCO3)CC1 1359045582 MNBMLIJAQRASIU-INIZCTEOSA-N 401.511 1.350 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359054648 CDXSYSSQODSWLV-INIZCTEOSA-N 401.540 1.398 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C[C@H]1CCOC1)C1CC1 1359142216 CJJZGQPEELNMLK-CHWSQXEVSA-N 403.936 1.646 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1359230204 JMYXEBVTZKWWRZ-UHFFFAOYSA-N 412.494 1.628 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1359304797 JTBGENSCTQZDSH-FQEVSTJZSA-N 414.441 1.610 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359305763 MEEMNQXDZDNPNU-HXUWFJFHSA-N 423.583 1.953 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1436660108 UCJYAPDRHSTQIP-OCCSQVGLSA-N 400.294 1.720 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)COc2ccc(C#N)c(Br)c2)n1 1436957771 AXKJESZDLVSGMK-UHFFFAOYSA-N 408.212 1.493 30 10 HDEE CO[C@@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(=O)OC(C)(C)C 1441141429 ZGJLRJVVXLRQLT-KRWDZBQOSA-N 413.478 1.732 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1451536612 XIOIRRWBYPLYIH-SFHVURJKSA-N 417.462 1.825 30 10 HDEE COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)CCC2 1453057900 LDGMXCPPOSKXJE-FVGNFYTDSA-N 411.458 1.926 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2sncc2Br)cc1 1456154127 WIASQWZJWJJUSY-UHFFFAOYSA-N 414.306 1.747 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCS2(=O)=O)cc1 1464265992 FLRIJDSUFRHCKN-YGMPWRRSSA-N 413.521 1.405 30 10 HDEE CN(C)C(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1464788131 GUZQTMSQHUQCNU-ZDUSSCGKSA-N 414.853 1.488 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](C)NC(=O)OC(C)(C)C 1464927581 UMVGGPMRSDLHQT-UVGZWBPASA-N 408.499 1.814 30 10 HDEE N#Cc1ccc(OCC(=O)NCCc2nnc3n2CCCC3)cc1Br 1466330071 OPGXTXCGOJMJRJ-UHFFFAOYSA-N 404.268 1.986 30 10 HDEE COc1cc(CNC(=O)Nc2cnc(OC)c(C#N)c2)ccc1OCC(=O)N(C)C 1467268844 CBSWMIRIWGNVKG-UHFFFAOYSA-N 413.434 1.759 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)C1=O 1467369560 HKGRWQXZENJYQW-OAHLLOKOSA-N 418.498 1.884 30 10 HDEE C[C@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1467651152 ZGCPVKXJWDMJEA-AWEZNQCLSA-N 409.483 1.448 30 10 HDEE Cc1ccc(I)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1470360817 KEZSDXSTEZPLFO-UHFFFAOYSA-N 424.198 1.164 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1470365027 LVLOJCADYPTNJG-ZDUSSCGKSA-N 414.321 1.846 30 10 HDEE C[C@H](CC(=O)NCC(C)(C)[C@@]1(O)CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1470426382 FQGBWRDDIVGDFZ-JLTOFOAXSA-N 423.535 1.188 30 10 HDEE C#CCN(CC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@@H]2C1)C(=O)OC(C)(C)C 1471121389 FPYFKHBJAVPWEN-QZTJIDSGSA-N 414.506 1.888 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)CCS2 1471533524 ZBILELNLQGALHA-MLZJXEJWSA-N 420.539 1.655 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1471938326 JNPDHLNMOWBVRM-INIZCTEOSA-N 403.910 1.781 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)C2=O)cc1 1472554829 GYDTVTGVVFJRJE-FHWLQOOXSA-N 413.474 1.476 30 10 HDEE COc1ccc(Br)cc1[C@@H]1NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 1472994217 GIAJURBDHKVTIS-AWEZNQCLSA-N 421.251 1.613 30 10 HDEE COC(=O)CC1CC(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1479323129 AGZJYFPVPYTDTR-UHFFFAOYSA-N 413.434 1.980 30 10 HDEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1494072602 CWRUSFHJBGPUPI-HOTGVXAUSA-N 411.576 1.359 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502687677 BQCDAMPDPRTSHO-PMACEKPBSA-N 404.515 1.539 30 10 HDEE COc1ccc(COCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504287010 VSBVXUXTRPURHX-SFHVURJKSA-N 421.461 1.689 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC2(CCOCC2)C1 1507572400 IKYJBFVWZURNJJ-UHFFFAOYSA-N 410.478 1.725 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1507575625 SLNRAPXDHWCAHY-KRWDZBQOSA-N 403.527 1.864 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507638956 UDBRBRROJPGGSP-HZPDHXFCSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(=C)C 1507659819 GISXBWYXQAHGEU-BZSNNMDCSA-N 419.551 1.332 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCC=C)CC1 1507734041 PWQYOJRQSLTTBJ-UHFFFAOYSA-N 412.538 1.836 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCOC(F)(F)F)CC1 1507741705 YSLPWONRUJMCTJ-UHFFFAOYSA-N 417.432 1.707 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1508058370 RDHIMRYCFUYOEI-HDICACEKSA-N 424.553 1.548 30 10 HDEE C=CCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508066378 POUUHQFFBIHDGM-GHTZIAJQSA-N 405.543 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1F 1508132388 XWQRVHXVBJUNAC-UHFFFAOYSA-N 423.514 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(COC)CC1 1508144777 URNBUGPXXZXHCY-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE CC(=O)N1CCC(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1508200270 AEZRMRZMSGGKQQ-LJQANCHMSA-N 409.494 1.251 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1509950403 CZFDUQOONDPQGN-LBPRGKRZSA-N 415.479 1.377 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1509950789 FIMHEANNVWMDDP-AWEZNQCLSA-N 417.539 1.892 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cs1 1511547787 VTXZEPCBHDPKGU-HNNXBMFYSA-N 417.539 1.525 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3cnccn3)n2Cc2ccc(C#N)o2)CCOC1 1516140093 BOJKDRMJQHASDF-HXUWFJFHSA-N 409.450 1.870 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1516865115 WJGBATHLXFZQKE-LXLLPEIISA-N 415.475 1.699 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1519190502 CNUBLBRJZMKZMD-IIBYNOLFSA-N 411.510 1.898 30 10 HDEE Cn1ncc(I)c1C(=O)N1CC(=O)Nc2ccc(C#N)cc21 1524671899 NKFBISVHGLPROD-UHFFFAOYSA-N 407.171 1.495 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1(c2cncc(Br)c2)CC1 1525459103 DQHNPQNLKRUBGA-UHFFFAOYSA-N 417.267 1.946 30 10 HDEE C=CCc1cc(CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cc(OC)c1OC 1527043115 WMTLZJCYNJYBSP-UHFFFAOYSA-N 419.503 1.567 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)c2C#N)C1 1533469611 CWCRFEXYYPVQNR-UHFFFAOYSA-N 414.491 1.983 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1539031668 MYBMRQLMLQBSBX-CYBMUJFWSA-N 411.915 1.518 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1539124727 HKSLASOVXMZZKQ-MRXNPFEDSA-N 423.564 1.722 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1539195060 LBRRQJPZWJSPDP-UHFFFAOYSA-N 417.897 1.862 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1539200798 OQECLSWRPCJGMV-VJANTYMQSA-N 419.570 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCC(=O)N1 1539336810 HBUQJTUEGQHVSG-QGZVFWFLSA-N 407.474 1.607 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1539369309 JJROSDJXGVWNNJ-QAPCUYQASA-N 402.520 1.741 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1OC 1539391615 GBDJMLKLTNGYBT-UHFFFAOYSA-N 415.469 1.796 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1Cc1nnn(C)n1 1539569228 LRWLHQKGLFZFQP-HXUWFJFHSA-N 408.466 1.430 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O 1539595773 ZARSVKTZMKIOCG-NSHDSACASA-N 420.333 1.009 30 10 HDEE N#Cc1c(NC(=O)CS(=O)(=O)Cc2ccc(Cl)s2)nc2n1CCOC2 1539996370 RGCQRPSOHJSFNH-UHFFFAOYSA-N 400.869 1.553 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cscn2)CC1 1540873533 BAKOQGHCKCBSKO-UHFFFAOYSA-N 401.540 1.312 30 10 HDEE CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541308889 BWXYMWXEQZSMQM-ZWKOTPCHSA-N 404.559 1.952 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1542624442 DCNSLOJAMQCEHQ-YOEHRIQHSA-N 403.479 1.852 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cs1 1542925771 GNMDHMINGSZROL-GJZGRUSLSA-N 415.523 1.277 30 10 HDEE Cc1noc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1543410150 HMANSBOXUKVEGQ-MRXNPFEDSA-N 418.523 1.963 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1(C)C 1555168343 OQZVBJYQRKFIDJ-SFHVURJKSA-N 424.505 1.537 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)C(=O)OC 1556375974 XXMKMKNUJQBKSF-JKSUJKDBSA-N 407.467 1.378 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncnn2-c2ccccc2)s1 1556443294 VKORKHRGTUVCPP-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1558606513 YCAGLIHCPFRBLM-UHFFFAOYSA-N 408.458 1.937 30 10 HDEE O=C1CC[C@](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)(c2ccccc2)CN1 1559032694 FFQCYYKKGGBJIN-HSZRJFAPSA-N 421.453 1.739 30 10 HDEE C[C@@](NS(=O)(=O)c1cc(Br)ccc1C#N)(C(N)=O)c1ccccc1 1561361102 GAKHOGZEXKKWAV-INIZCTEOSA-N 408.277 2.000 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 1561688783 TVAWLPLGGSUNQE-IBGZPJMESA-N 420.512 1.360 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)CCS2 1565446794 QGLQFCXIWRCUGD-HVEKOLDVSA-N 403.508 1.882 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(CCC(N)=O)CC3)C2=O)cc1 1567178589 AJONRXUYSFOKJS-QGZVFWFLSA-N 411.462 1.267 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)s1 1568013459 HYHQKIQDUKUFCH-GOSISDBHSA-N 414.549 1.551 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 1568181291 ORRBBRQLXTWCPW-OAHLLOKOSA-N 423.516 1.727 30 10 HDEE C=CCN(CCC#N)C(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1569599810 MCHZAFHHCXTZLY-IEBWSBKVSA-N 405.520 1.862 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1587641351 ZMCRPXMLYUQJIY-NVXWUHKLSA-N 416.547 1.914 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1587706953 VARDBMXETJSOSO-HZPDHXFCSA-N 419.555 1.419 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1588241582 RUYUCNWLCQNYDB-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCC2(C1)OCCO2 1588659923 PHMMQYBDBHWKRL-LJQANCHMSA-N 411.506 1.893 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1593689753 DUPWGBRXPPNTMI-XWSJACJDSA-N 405.543 1.735 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1595765376 ADQFWLILZXWXLO-UHFFFAOYSA-N 413.441 1.210 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595866740 VVVMRWFGNDOWHC-UHFFFAOYSA-N 415.567 1.470 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2oc(=O)n3C)s1 1596217545 UQDITPAVLNJNNS-UHFFFAOYSA-N 407.473 1.839 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1597739490 GEYVASABGNMCEH-GVDBMIGSSA-N 416.526 1.452 30 10 HDEE C[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612809164 NGZLYPIULBOYBM-OHTQGHCMSA-N 413.482 1.029 30 10 HDEE CCOC(=O)NC(=O)C(=NNc1ccc(OC(F)F)cc1)C(=O)NC(=O)OCC 1615950070 RCCUKSOVZJUNLW-UHFFFAOYSA-N 416.337 1.601 30 10 HDEE CO[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619504563 VCXVPPFXNGTALU-RAJOGRCSSA-N 400.483 1.372 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(Cl)ccc2s1 1621673522 RQAMHUQAAUNLCD-JTQLQIEISA-N 404.922 1.761 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)c1 1622237485 AFESUJDJGSDJAB-UHFFFAOYSA-N 421.276 1.960 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 1622395485 AFVWPCZUBOAFRD-LJQANCHMSA-N 405.458 1.007 30 10 HDEE CC(=O)NC[C@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1623688622 JNBCSWOMQXGPHJ-MSOLQXFVSA-N 411.462 1.280 30 10 HDEE COCCOc1c(Cl)cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Cl 1624010952 PYQDNPALCTXYAC-UHFFFAOYSA-N 413.217 1.791 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4[nH]cc(C=O)c4c3)CC2)cc1 1624067571 WMYMBMVVHCSIQM-UHFFFAOYSA-N 422.466 1.999 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1629315331 NPOCXXRPFXIIPU-KRWDZBQOSA-N 406.479 1.703 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncc4ccccc4c3O)CC2)cc1 1629484962 HIEXJTDWSDWYPO-UHFFFAOYSA-N 422.466 1.959 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c1 1629725805 DHCXVUDCTKMEQO-RDJZCZTQSA-N 404.492 1.535 30 10 HDEE C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CN1CCOCC1 1629894280 GAJXRONRNXGMDU-AWEZNQCLSA-N 421.339 1.841 30 10 HDEE C[C@@H]1NC(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)=NN(c2ccccc2)C1=O 1633493256 KGSFDWSFRMYWNJ-HNNXBMFYSA-N 402.458 1.998 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@]3(CC(=O)OC)CCCOC3)n[nH]2)c1C 1634537252 UOPCEWFFYXTVJY-FQEVSTJZSA-N 401.467 1.918 30 10 HDEE COc1cc(CNC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)ccc1C#N 1634881044 MRAGEEYWRQAITG-UHFFFAOYSA-N 408.414 1.761 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1635881632 BZBXONHBAYWARM-QHCPKHFHSA-N 422.460 1.753 30 10 HDEE C#C[C@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1639241153 XDYDIVVLJDBBKF-HNNXBMFYSA-N 423.491 1.876 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)ccc1F 1642543448 SFCGOCOYZMROOT-UHFFFAOYSA-N 402.451 1.884 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCc4ncsc4C3)C2=O)cc1 1643394544 KNNDATSKFFGLBY-XJKSGUPXSA-N 409.471 1.893 30 10 HDEE CNC(=O)[C@H](NC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1)c1ccccc1 1644196484 CDSYKVXYERGOSR-OAQYLSRUSA-N 409.465 1.423 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(OCC(F)(F)F)nn3)CC2=O)cc1 1645212204 IUMBCKMYRATVIB-CYBMUJFWSA-N 419.363 1.959 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1647932561 GRPKMQJTSIBBPR-ZDUSSCGKSA-N 402.451 1.687 30 10 HDEE Cc1sc(=O)n(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1C 1649041378 RNZGYEVWUHFNGK-UHFFFAOYSA-N 403.460 1.821 30 10 HDEE C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCC(Cc2ccccc2)CC1 1653759766 IWTBAOPVXFMWIY-MRXNPFEDSA-N 421.501 1.547 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1C(=O)OC 1660611781 JPHVZRXVEYJPGY-RBSFLKMASA-N 419.503 1.913 30 10 HDEE C=C(C)CONC(=O)NC[C@H](O)COc1ccc(I)cc1 1683729225 ZREDZLFABPUPKN-LBPRGKRZSA-N 406.220 1.838 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)NCCNc1ncccc1C#N)C(F)(F)F 1684894056 SCLXSJSYJFOEAM-LBPRGKRZSA-N 419.429 1.892 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)CCC2CCN(C3CCN(C)CC3)CC2)C1 1685177612 ZJFONTAZOBYPEK-OAQYLSRUSA-N 403.615 1.922 30 10 HDEE C#CCCCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1685615030 DXGWNDCRLWYYNX-UHFFFAOYSA-N 421.542 1.790 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1686083696 DESWJNXFMZWBPR-MSOLQXFVSA-N 412.494 1.547 30 10 HDEE C[C@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H](C)S1(=O)=O 1686929077 CBPKAPMMMCOZDV-HOTGVXAUSA-N 404.536 1.740 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 1689946893 YPOKYPIUNNJHHD-ULQDDVLXSA-N 424.615 1.714 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1689966037 JEQIGIUMQJCJBB-HOTGVXAUSA-N 421.498 1.071 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689986908 ZLOTWCULFRTDQG-BEFAXECRSA-N 405.524 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2sccc2C1 1689998750 VKMSXDKMIFNHDR-UHFFFAOYSA-N 422.558 1.707 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(CC)CC 1690008243 BFXZWQVTIMJOAG-SFHVURJKSA-N 417.521 1.724 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NC)CC1 1690154756 YPAJEVLKLHGDMX-UHFFFAOYSA-N 420.583 1.525 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)=O)CC1 1690245005 BMPMSJAWFQFWEQ-OTWHNJEPSA-N 403.527 1.822 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690361263 MNWONAWSSFVRCU-MRXNPFEDSA-N 422.555 1.095 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(=O)(=O)CC)CC1 1690379464 RIYYNPJGMWRYDF-UHFFFAOYSA-N 410.569 1.730 30 10 HDEE C=C1CCN(c2nnc(COCC)n2CCNS(=O)(=O)Cc2ccon2)CC1 1690384487 SPODZAUOHGPOJM-UHFFFAOYSA-N 410.500 1.079 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690665519 GWXDLFBBKHRCLS-OAHLLOKOSA-N 412.494 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690720549 LXYJACPTXSYUOD-INIZCTEOSA-N 417.535 1.521 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@]2(CCOC2)O1 1693772176 BQURJLPHGQKUGQ-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(N)=O)CCCC1 1694296886 GZUKQGFADGEQRH-AWEZNQCLSA-N 403.531 1.981 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC2CC2)C1 1698485987 FUUDXCVIMMTBIE-FQEVSTJZSA-N 416.432 1.964 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCOC2)cc1 1698489276 RGVJPZUHHOLGSK-MJGOQNOKSA-N 408.462 1.884 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705565049 RZCIGCKSMONJST-SFHVURJKSA-N 415.519 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 1705575984 BXTIHBHOTYBTAL-UHFFFAOYSA-N 401.261 1.897 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1705611888 RPLIHJYLHBFKJU-UHFFFAOYSA-N 412.494 1.772 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2CCOC2)CC1 1705634547 ARKKGLHVDVWBBY-GHTZIAJQSA-N 403.527 1.112 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1705671790 XRGOJNVORDFWAA-HXUWFJFHSA-N 414.531 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CC1(OCCOC)CCOCC1 1705674747 PSGHFYIRPYQUHF-WIYYLYMNSA-N 418.538 1.986 30 10 HDEE C=CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705809200 KGVMOFIAHNJCAH-VQIMIIECSA-N 412.556 1.910 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705875577 YSEYSHXYTVAYIZ-SFHVURJKSA-N 423.564 1.362 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)OC(C)(C)C1 1705894793 LPZHVBGZKIHNPH-UHFFFAOYSA-N 420.558 1.893 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOCC2)C1 1705922279 JYNYVJIXNOOMMQ-GOSISDBHSA-N 401.515 1.182 30 10 HDEE CCc1nc(CCn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)no1 1708985280 GCTCMHPOKFKDFR-AWEZNQCLSA-N 416.486 1.113 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)CC1 1712882834 HCUKBJSLYMOSHU-HNNXBMFYSA-N 406.581 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)CC 1722288400 ZANNKDYFBDJVTG-HNNXBMFYSA-N 412.519 1.891 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CC(OCC)C1 1722297973 RVGJFLOOQJGTJR-GENZYMQKSA-N 408.506 1.905 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](n2cncn2)C1 1722322253 QKGYZAJDOXVZJE-MRXNPFEDSA-N 405.466 1.772 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722324653 VRVKLNPMZPADOC-HRCADAONSA-N 411.572 1.942 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCn1nc(C)cc1C 1722380514 OKXDBPVXUFKRLQ-UHFFFAOYSA-N 419.489 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1722392986 XTYHRKQUHHOLEK-QHCPKHFHSA-N 423.517 1.492 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1722451042 FPZWOFXWKZZODN-AWEZNQCLSA-N 411.553 1.793 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1722452670 IXWFGCZYMSRKRS-UHFFFAOYSA-N 418.567 1.185 30 10 HDEE C=CCCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOCC1 1722625619 YGQHCHOGSYBLOT-UHFFFAOYSA-N 420.539 1.668 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)C1 1722714640 JBFAMQDOZGYXKE-RXVVDRJESA-N 400.479 1.886 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1722743430 YIFWFCHDCQTXRO-IBGZPJMESA-N 406.556 1.282 30 10 HDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1729209166 OIVRYPJCZZZPEP-INIZCTEOSA-N 419.507 1.389 30 10 HDEE COCC1=CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1730525463 IAWPFVGRHNOBKD-ZCXUNETKSA-N 414.510 1.885 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCn2ccnc2C1 1730872654 CYIZJJDHGXCQRR-IKGGRYGDSA-N 415.498 1.190 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740546142 GEIKGIUQAHLDEV-LZICOFPGSA-N 405.462 1.633 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1740566287 FRUUPVKOUZJRDP-VQIMIIECSA-N 409.556 1.699 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1740591584 PGSBOXUIMZHKOF-SJORKVTESA-N 410.540 1.224 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1740609862 PFFGKBFXIIZKRU-IRXDYDNUSA-N 419.551 1.926 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1740661061 OYMMTTUQCCRNJA-UHFFFAOYSA-N 415.586 1.391 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740674028 QHKWLUXOYBBWMT-KRWDZBQOSA-N 410.478 1.613 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(OC)cc1OC 1740684182 XWRVIBSBVIEPFF-UHFFFAOYSA-N 408.462 1.887 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@H]2C)CC1 1740693096 TXZYAXIXLOYTTO-KNQAVFIVSA-N 416.570 1.170 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CC2)CC1 1740698722 MMBPZVBUBRMGJE-UHFFFAOYSA-N 405.568 1.343 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1 1740708868 DIFPNVIXNRAJJL-MCIONIFRSA-N 417.626 1.585 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)[C@H]1CC 1740718824 CEJHVQYGWPEJFZ-QGZVFWFLSA-N 413.547 1.959 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740761494 XDZSGXWVAFMZPD-FXAWDEMLSA-N 404.559 1.468 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC)CC1 1740765343 UYOUJHLIQZORKR-GVDBMIGSSA-N 405.499 1.999 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1741097182 BUXGWJYDKULJAN-GOSISDBHSA-N 424.505 1.606 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 1741921646 MMAMOMGYCRQFBN-HUUCEWRRSA-N 410.544 1.587 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1748713836 UIDABMGDDJCNNR-QGZVFWFLSA-N 422.493 1.305 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1748730193 FZRXLQSVGVFWAX-UHFFFAOYSA-N 420.517 1.890 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748825488 ZSGLLSPPAZDCRE-LSDHHAIUSA-N 414.478 1.802 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN1CCOC(C)(C)C1 1748962162 BFTSSRQLRHUCAD-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCCO)CC1 1748987003 OOKMEVYLQHYMMT-UHFFFAOYSA-N 422.533 1.591 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCCN(C)S(=O)(=O)CC 1749064378 TUHYICMPVVUUJV-LJQANCHMSA-N 404.540 1.937 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCS(=O)(=O)N1CCSCC1 1749065072 SSUHOAHFPCXPGX-LJQANCHMSA-N 423.608 1.916 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cccs2)nnc1[C@@]1(OCC)CCOC1 1749682598 WGVGCLPNGVJNJW-LJQANCHMSA-N 405.524 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CC#N 1749736702 NLFXVAXAECJJGA-ZDUSSCGKSA-N 408.553 1.973 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@H]1C 1760170414 BOKKSOZNYVFCHB-FOIQADDNSA-N 416.551 1.859 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1760197156 XGIQBWJMLFTYMU-SIKLNZKXSA-N 415.538 1.112 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760344960 WKOOVPQIPVKTEQ-OAHLLOKOSA-N 403.512 1.316 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@@H]2C)CC1 1760402560 NFDXQUQOCXRFCL-FUHWJXTLSA-N 423.583 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760520495 PMJHBHVIZTVYRG-HZPDHXFCSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760525339 BPQCWEBEJDBZOK-QGZVFWFLSA-N 420.521 1.684 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cnnn1 1760729763 UYYSFTFJVBRBRS-UHFFFAOYSA-N 408.470 1.187 30 10 HDEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1761945834 SHXGOXSWWUPMOY-HRAATJIYSA-N 422.493 1.767 30 10 HDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1766934843 RTCVXPBFOJGREJ-LJQANCHMSA-N 419.461 1.026 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1767706270 XCEIAEACOKYDSG-GOSISDBHSA-N 407.482 1.899 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1770109384 ANYIQUCYKBYWLD-GOSISDBHSA-N 412.494 1.537 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1770727480 GMCCUYWKAOISGV-UWJYYQICSA-N 412.469 1.956 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)C1 1771528260 MJNACTJHGHTHDX-YVEFUNNKSA-N 421.383 1.792 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc1 1852138309 YCBQCWIEEIAVSA-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE Cc1cccn2cc(CC(=O)Nc3nc(N4CCN(C)CC4)c(C#N)cc3C#N)nc12 1852755492 QUQKXILZJTVDSS-UHFFFAOYSA-N 414.473 1.714 30 10 HDEE NC(=NOCCC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 1853416726 GERRGUIKTSYCML-INIZCTEOSA-N 408.886 1.217 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc3cccnc3n2)C1=O)[C@@H]1CCN(C)C1=O 1853804191 DCHUVJIKFXLDOL-ZWKOTPCHSA-N 407.474 1.480 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1F 1853829575 WTHAUBNCBSMFHZ-UHFFFAOYSA-N 417.418 1.379 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccn2)C(=O)C1 1853952708 GHZOMVWOUUCPDQ-CVEARBPZSA-N 410.455 1.116 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ncccn4)C(=O)C3)C2)c(F)c1 1854181002 YMIZFWOWWJPVTK-QGZVFWFLSA-N 408.437 1.046 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283432 FPVKLOVFJFKEKK-AEFFLSMTSA-N 416.501 1.761 30 10 HDEE Cc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)nn1 1854319707 CMTLERNZJVUXSZ-LJQANCHMSA-N 404.474 1.610 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCN(S(=O)(=O)C(C)C)CC2)CCC1=O 1855570959 PSLBNMJQNACTQY-ROUUACIJSA-N 413.584 1.710 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1855605944 JTMVMJSMSPAATK-IEBWSBKVSA-N 400.523 1.921 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H](F)CC3CCC3)C2)CC1 1855840412 XAASPKHCHIRZHC-MJGOQNOKSA-N 413.497 1.979 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)cc1 1856196772 BLLOAUSIGKRJKI-HNNXBMFYSA-N 406.508 1.304 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1[C@@H]1CCS(=O)(=O)C1 1856721028 GEVOOZODXVNWTM-QGZVFWFLSA-N 403.504 1.127 30 10 HDEE C#CCCC(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2[C@H]1c1ccccc1 1857516459 GLMPVZMWTLUBRJ-OAQYLSRUSA-N 416.485 1.892 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1858298488 QKYXYJHTDCMUPT-INIZCTEOSA-N 402.410 1.185 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1 1869011238 COBHOBNUCAHFBK-QGZVFWFLSA-N 400.523 1.766 30 10 HDEE CN(C)CCCNC(=O)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933354 DUEWLEPWSKTNKF-SFHVURJKSA-N 400.504 1.534 30 10 HDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(C)CC2)nc1C(F)(F)F 1872799123 DGSCWAKZLCVOEZ-SNVBAGLBSA-N 404.414 1.762 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cs1 1890449353 KYSQJIPJTFKXAW-ZDUSSCGKSA-N 414.487 1.993 30 10 HDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)NCB1OC(C)(C)C(C)(C)O1 1985101469 SVBOEQFPEHRZSM-GFCCVEGCSA-N 407.280 1.145 30 10 HDEE COC[C@@]1(NS(=O)(=O)N2CCC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174790035 XVWBCWDCVRVQCK-RHSMWYFYSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)C[C@]1(NC(=O)OC(C)(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 2180138322 WDQBFIINRBNPGM-RDTXWAMCSA-N 416.565 1.426 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245257710 DIXMNZZRYQTEMU-MATWNZDUSA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)[C@@H]21 2249998077 CVXVMCQFCOGMMF-HRCADAONSA-N 420.315 1.762 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161115 YDJDDOOVUCBDNW-DLBZAZTESA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H]3CN)cc2Cl)OC1(C)C 2267359563 NPOOXDSBWBYPHN-SNVBAGLBSA-N 406.766 1.813 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[S@@](C)=O 2267371618 CSJZNWMNAPWSAN-APXPCNQMSA-N 407.388 1.483 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2281810861 VRDFSTASTBJVGI-NSHDSACASA-N 401.721 1.802 30 10 HDEE CCN(C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2282205019 YPVOTHBXAJXNMI-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282316090 XNVIOMHVMLLIAY-STQMWFEESA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@]2(C)CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282319356 RVXKTFGYJYFROM-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1N 2282336516 FGZWMRPMMNFKME-VXGBXAGGSA-N 400.375 1.651 30 10 HDEE C[C@@H]1CNCC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282340415 FTNPKAWSIULANM-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](CN)C1 2282421362 MSZCIWIFLWCXLU-STQMWFEESA-N 400.375 1.795 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834104 PEWUAIZRYQGLHY-VXGBXAGGSA-N 419.399 1.764 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2(CO)CCCC2)OC1(C)C 2282835064 PEAWPXLMXIVUME-UHFFFAOYSA-N 402.347 1.167 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC34CC(CN3)C4)cc2Cl)OC1(C)C 2282841384 NVMJEAPVKQEIFJ-UHFFFAOYSA-N 418.777 1.731 30 10 HDEE COCC[C@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282847171 VFYMSJAJSASBPH-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE CCC1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282850346 NWCIQFUGJBQNPQ-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CN(C1CC(C(=O)O)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284411727 NVOQRVCPOSIWAC-UHFFFAOYSA-N 401.315 1.531 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 2296624477 HOEKDGIMSQHFRO-IBGZPJMESA-N 410.474 1.780 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C(F)(F)F 2355926109 LOZZBBCWZYDFAO-CCGCGBOQSA-N 404.229 1.615 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]21 2365203614 UNGWWQJJYPMPEX-QXSJWSMHSA-N 400.541 1.425 30 10 HDEE COC(C)(C)C[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367782674 AGBSONSSWASENY-GJZGRUSLSA-N 402.557 1.993 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367791458 JKBDLKKBUUSLAS-CABCVRRESA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367828837 USSUSCSJAZDWTR-CABCVRRESA-N 402.557 1.681 30 10 HDEE C=CC1(N[C@@](C)(C[C@H]2CCCS2(=O)=O)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2377238547 BFCKVVGNRIXYMW-DYVFJYSZSA-N 402.513 1.562 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccco3)n2N)c(OC)c1 20527769 GRRXHSHYMBHZNT-DJKKODMXSA-N 417.451 1.779 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(CC(=O)NCCC)CC3)cc2C1=O 29219349 MWCBLGKZZCUXFH-UHFFFAOYSA-N 412.490 1.189 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(CC)CC3)C2=O)cc1 96573435 RQPPPWMTRKKTIP-JOCHJYFZSA-N 414.506 1.573 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(-n2cnnn2)cc1 146321255 YTLRDCIVTLBKDH-UHFFFAOYSA-N 400.420 1.947 30 10 HDEE Cc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 263628046 LEAQTUSPOBBPEO-GJZGRUSLSA-N 410.517 1.847 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 409478448 RPOWIMDIXDTYMC-SJORKVTESA-N 402.467 1.406 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 409505453 AQVREPXORKPKHA-PVUWLOKVSA-N 418.441 1.298 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)n1cnc(C#N)n1 409912586 ZKFRBVYZCPARFU-HOCLYGCPSA-N 414.491 1.094 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1N1CCCS1(=O)=O 443328657 JQWROLKRAOOOKO-UHFFFAOYSA-N 418.519 1.920 30 10 HDEE CCOC1CC(CNS(=O)(=O)Cc2ccc(C#N)cc2F)(N2CCOCC2)C1 443988866 PIHNRNAWPUHOTK-UHFFFAOYSA-N 411.499 1.387 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446923057 QLAKNFHOQRLSKH-HZMBPMFUSA-N 415.397 1.378 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 465121246 MLHKJCXAHGXINS-QGZVFWFLSA-N 418.501 1.938 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 478842721 FYAKUNOKAAYSOX-UHFFFAOYSA-N 415.471 1.872 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 479034422 JKZPWIVRRHDEJX-IAGOWNOFSA-N 422.503 1.947 30 10 HDEE N#Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)ccn1 483054135 ICHHUEDZCLCKDE-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)cc1C#N 489114454 SHVFNFOBSITBPX-HNNXBMFYSA-N 400.504 1.961 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502034974 IRLYMYSWOBVISK-VQTJNVASSA-N 424.526 1.744 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(I)c(F)c2)CC1 503623942 ACSSZBCXTVCXJW-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE C=CCCc1ccccc1NC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 505034836 HTEPXZOWCYMUQT-UHFFFAOYSA-N 400.479 1.340 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 513815837 BYBBQVYZGPWFBK-UHFFFAOYSA-N 412.221 1.865 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccccc3)c2=O)s1 520894593 NYXJAALVXCGWLS-UHFFFAOYSA-N 409.536 1.831 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)CC1 535475940 NNKLQCMGZJDDFL-UHFFFAOYSA-N 420.477 1.267 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)C1 538404034 PAAJQRVHLIIYAK-KBPBESRZSA-N 402.480 1.770 30 10 HDEE C[C@H]1C[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 542303696 OMQLLEQZFPWQTM-DLBZAZTESA-N 420.535 1.779 30 10 HDEE COc1cccc(C(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 542985868 PTDUJQBUEHLZQY-SFHVURJKSA-N 424.482 1.837 30 10 HDEE Cc1cc(C(=O)O)ccc1N1C(=O)C[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546204328 MRGAFSJQGQJFBY-GOSISDBHSA-N 419.441 1.414 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1S(=O)(=O)NCCOc1ccc(C#N)cc1 548957462 OFABDLSHRWRGBS-UHFFFAOYSA-N 410.473 1.328 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@H]2CCCO2)cc1 549520985 SSGCBZJHYCQFEU-AZUAARDMSA-N 424.505 1.429 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Oc1ccc(Br)cc1 560843331 JEWHETJKWAPGHY-MFKMUULPSA-N 422.239 1.210 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 569960843 SIZGTIBQMWKUQS-JTQLQIEISA-N 411.307 1.676 30 10 HDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585779027 VCJKECNBOVITLG-LBPRGKRZSA-N 418.450 1.099 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)OCCOCC)cc21 586315677 YSVZCLFMOLJVAB-IZPCHGGPSA-N 423.487 1.498 30 10 HDEE CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586859675 DXPMDXLUGMTUFH-UHFFFAOYSA-N 403.435 1.376 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 603799646 REGPFLHYFRLKNW-HNNXBMFYSA-N 413.474 1.010 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccc(F)cc1 603924090 PDXHEBFLNOPURO-UHFFFAOYSA-N 409.442 1.296 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(Cc3ccccc3)s2)CC1 605406400 FTFVZKVICMWSAX-UHFFFAOYSA-N 400.508 1.581 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)c(F)c1 609257210 ZUTPIOGEWAMUNF-UHFFFAOYSA-N 424.432 1.354 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCc3nn(CC)c(=O)cc3C2)cc1 610283635 JZKDYQVVNCCQAJ-UHFFFAOYSA-N 409.490 1.967 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 610777819 JYPDUMAEYRIFBN-UHFFFAOYSA-N 417.491 1.196 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(Br)cc1S(C)(=O)=O 679528114 WEAJQWAYWSDMKO-UHFFFAOYSA-N 405.270 1.110 30 10 HDEE CNC(=O)[C@H]1CC(=O)N(CC(=O)OC)C(=Nc2cccc(C(F)(F)F)c2)S1 725380780 NCMKNGVUXLELQT-LLVKDONJSA-N 403.382 1.946 30 10 HDEE NC(=NOCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(CN2CCOCC2)cc1 725793262 XAXQRVVAUQPQMS-UHFFFAOYSA-N 421.501 1.792 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OC)c2OC)c1 727743012 JFYKZMNFRIRSJK-UHFFFAOYSA-N 404.444 1.876 30 10 HDEE COC(=O)CCCS(=O)(=O)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 734087285 CYDUGKPBOUILAB-UHFFFAOYSA-N 403.416 1.758 30 10 HDEE COc1c(O)cccc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 734751671 XCUJMBMIVCIHFP-UHFFFAOYSA-N 405.480 1.178 30 10 HDEE CC[S@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741425459 SBUNUOZTMWIFBS-LXGMGKJTSA-N 400.526 1.390 30 10 HDEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(Br)s2)ccn1 747052644 HHAIZENEZGMFOS-UHFFFAOYSA-N 416.278 1.799 30 10 HDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(N2CCOCC2)c1 753929168 BMVFQSJWCJWSLB-VXPUYCOJSA-N 413.478 1.157 30 10 HDEE COC(=O)[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C#N)cc1 755998170 JCCFOMHSMRVWQT-AWEZNQCLSA-N 405.398 1.676 30 10 HDEE COc1cccc(-c2nsc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)c1 757960353 NZVZRMLSYVRMMX-PEZBUJJGSA-N 414.447 1.862 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(C)c2)C1 760301615 NHSFCAVOKANZNG-CVEARBPZSA-N 417.535 1.866 30 10 HDEE Cn1nc(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c2ccccc2c1=O 760400947 GJOBHUREUVAQNR-UHFFFAOYSA-N 402.476 1.396 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2O)CC1 769637979 LQDFYCLRRGDFGV-UHFFFAOYSA-N 418.494 1.799 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCCNc2ncccc2C#N)c1OC 771738565 AZVZLABSELXVIH-UHFFFAOYSA-N 420.447 1.147 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 772923886 KMEMPYAEXGDJTP-FMKPAKJESA-N 422.507 1.208 30 10 HDEE C#CCN(C(=O)NCc1ccc(O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774250615 HUWGMNRNXRMXGI-GFCCVEGCSA-N 401.282 1.487 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 775910533 WZRRBBNABMVAQN-LIRRHRJNSA-N 403.460 1.717 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C1CC1 780255419 KNTWPJNSCDIILS-LEWJYISDSA-N 415.446 1.424 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C[C@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 780564612 CDZRRUGGQOLPNA-SFTDATJTSA-N 422.533 1.447 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 781351144 BLMIVJASYJLWJH-DNZUHHBVSA-N 406.483 1.809 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 781846483 VOOLDQZQFLCCFX-JXFKEZNVSA-N 422.503 1.075 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC[C@@H](OC)C(F)(F)F)cn1 786686974 FDQWFPHQQLVUCY-NWDGAFQWSA-N 421.445 1.938 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)CC1 787323021 LTJSAIIZEFVOHX-UHFFFAOYSA-N 416.432 1.102 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(CC(=O)OC)cc2)n1 788693076 LVLSUAUSJGCQPU-UHFFFAOYSA-N 405.476 1.069 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(CN3CCCC3=O)c2)n1 788860784 DKEPZRJNIJKYBQ-UHFFFAOYSA-N 423.517 1.997 30 10 HDEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)cc1C 792986948 QJZASUKILDZCJM-CQSZACIVSA-N 402.426 1.448 30 10 HDEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(C#N)n1 798745164 PSNMJTQAGJBTJW-KGLIPLIRSA-N 412.450 1.302 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 809927977 KOUNMDVQSCLXCR-LSDHHAIUSA-N 420.514 1.439 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 810091117 GRIKXMLVRYXBKQ-CQSZACIVSA-N 421.548 1.287 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3cnccc3C#N)CC2)=NO1 816995312 QKGLSSSXSPDRSY-OAHLLOKOSA-N 414.466 1.271 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](c2cnn(C)c2)C1 849492270 QMSCWLRSRMPIPU-RTWAWAEBSA-N 421.549 1.849 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1118797092 HMXJAOFZZCQYPA-KSFYIVLOSA-N 423.473 1.453 30 10 HDEE CCc1c(C(=O)N(C)CCc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 1132514051 IHEQCYRRGVKBJV-UHFFFAOYSA-N 405.458 1.381 30 10 HDEE Cc1ccc(C)n1-c1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1134056127 KNUDJRJBBNJTDC-KSSFIOAISA-N 404.517 1.490 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1c1cccn1C 1138134907 CVTUBQUYGVLKBG-KSSFIOAISA-N 402.476 1.164 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)cc1 1142298177 BAGCGNXAWUXSEO-RTBURBONSA-N 407.474 1.869 30 10 HDEE CN1CCC2(CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C1=O 1155908539 JPLRBMFENOOMHL-QGZVFWFLSA-N 423.473 1.234 30 10 HDEE O=C(C1=NN2CCCN=C2N1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157808219 YYNSOPNYESXKEZ-KNVOCYPGSA-N 419.276 1.594 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)ccc2c1=O 1158084532 OBFFLHSDDMZCBK-JKSUJKDBSA-N 419.528 1.663 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cn(CCCC#N)c4ccccc34)C[C@@H]12 1167105900 VIYGLSHNFAXHIT-UHOSZYNNSA-N 401.488 1.829 30 10 HDEE N#Cc1sccc1N1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 1171936779 HALCDHZMOYYFMJ-UHFFFAOYSA-N 410.547 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C1 1186640014 UWNALHBMQIVASE-HNNXBMFYSA-N 402.455 1.993 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1189190530 LTOZLTZMTABLFC-UHFFFAOYSA-N 400.412 1.561 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)C1CCOCC1 1192787661 KSGUJNFPFBDLJU-INIZCTEOSA-N 418.512 1.684 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1S(=O)(=O)c1cccc(Br)c1C#N 1194076195 IBLIJHNJFWMQKS-MXWKQRLJSA-N 400.298 1.949 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)CC3(CCOCC3)C2)CC1 1197245925 IWTMTYDSORDVLI-ZWKOTPCHSA-N 418.563 1.320 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1211886807 AGSQZIBINSMSCD-PWSUYJOCSA-N 412.436 1.281 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1 1215662334 XZPRSTRXVHVEOM-JKSUJKDBSA-N 405.524 1.339 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1)C1CCOCC1 1220866958 GPYGLUYGVJLDOZ-KRWDZBQOSA-N 403.479 1.390 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1286300592 VDAMPRTYJGZNGJ-FZMZJTMJSA-N 401.496 1.080 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1286325368 XLVMPMVRBYHGFD-HOTGVXAUSA-N 408.528 1.153 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286386729 GNKHIXIHVQWIJU-LPHOPBHVSA-N 403.508 1.128 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1286490811 SWAJQHGHLBLWBC-NVXWUHKLSA-N 411.485 1.839 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1286495903 HYNVURRNWXVGCZ-WMLDXEAASA-N 415.585 1.260 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1286609183 YDHMDGNMAOPGIJ-MRXNPFEDSA-N 420.539 1.242 30 10 HDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286611620 MFDWOZKFIMGPIQ-UHFFFAOYSA-N 416.570 1.929 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(C(C)=O)CC1 1286784177 APGQSGZTUSDYBE-UHFFFAOYSA-N 412.494 1.315 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1286949826 QISKKTUNBDQUKA-INIZCTEOSA-N 420.420 1.801 30 10 HDEE Cc1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)sc1C 1289143634 AAEXRXWFQAWVMH-CQSZACIVSA-N 401.496 1.365 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(CC)CC)CCOC1 1296665011 QWHZECUCHLSNMI-HLIPFELVSA-N 406.531 1.389 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1298605161 WZUGGPDEILFNFG-VLGSPTGOSA-N 417.420 1.958 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)[C@@H]2CCCOC2)C1 1299352678 XFTMUYCPTGIVBW-WBMJQRKESA-N 408.296 1.661 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1300301621 SUGHFUVRWGIELA-CABCVRRESA-N 414.549 1.178 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300381199 POXQGIXBQYZGJE-KRWDZBQOSA-N 411.572 1.692 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1300483145 IDJZHZBXJZTTRY-FUHWJXTLSA-N 419.595 1.687 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300487222 IFBRVZRVDNZFLL-CYBMUJFWSA-N 402.505 1.405 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300489812 SSKCVKXQZZQQBP-KRWDZBQOSA-N 413.503 1.214 30 10 HDEE C#CCN(c1nnc(CC)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1300499498 STOBILOWUZWAFR-IBGZPJMESA-N 415.563 1.599 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ncn(-c2ccccc2)n1 1300665404 ZUPSDKCCENDKBS-UHFFFAOYSA-N 402.462 1.988 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C(C)C)CC1 1300682843 SIRXHLRCXUFWPO-NRFANRHFSA-N 411.510 1.088 30 10 HDEE C#CCN1CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1302087946 CPNDSVVOOWTXSK-UHFFFAOYSA-N 402.499 1.241 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1302978036 GFECPNRCXQZPSH-ABAIWWIYSA-N 404.368 1.640 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)cc1 1304878783 ZDQKYZFCOOKWFW-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 1307856401 GQGAOEPGGLTUJT-SFHVURJKSA-N 419.522 1.844 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C)c1 1307883519 VCVCVFYAHAASBM-WFASDCNBSA-N 410.396 1.847 30 10 HDEE CNC(=O)NC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 1307936924 OQHMKZTVVZSRJJ-IEBWSBKVSA-N 401.511 1.568 30 10 HDEE Cc1oc(NC(=O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c(C#N)c1C 1308062851 XAPVLCZPJFJUOE-IXDOHACOSA-N 402.495 1.838 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1313497393 FUUGNIJLUWDPMW-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1316208972 IFPJZIOQMKQMEA-ZRGWGRIASA-N 421.523 1.700 30 10 HDEE COCCOCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1316263507 WPLHIHQUYRZDOI-SFHVURJKSA-N 403.458 1.790 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1316359264 SXWKOHQMFKNKMQ-UHFFFAOYSA-N 422.580 2.000 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1328769931 FSNVKCIRVRWYPE-CEXWTWQISA-N 402.470 1.466 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1358916059 YTORANFFQBKDBL-KRWDZBQOSA-N 412.538 1.699 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358951010 FLCZOBGDZBHDOY-JOCHJYFZSA-N 416.529 1.948 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358958633 SLRRNTACZPSFFW-MRXNPFEDSA-N 406.508 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1358994913 ZCAVHVWULYQYAY-FQEVSTJZSA-N 419.485 1.780 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCCOC)CC1 1359037512 MATILPJLBBCXQU-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359055809 PUTRQWNLLHZYSU-JKSUJKDBSA-N 403.552 1.727 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCC(=O)N1CCOCC1 1359071813 DRRWBHSEJWICQS-JOCHJYFZSA-N 408.506 1.505 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1COc2ccccc2O1 1359278486 WQVCRSNFSKCUOW-INIZCTEOSA-N 415.494 1.895 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359306594 LHUUFXCZZXLZHW-XPYUAMARSA-N 419.526 1.308 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(O)CCOCC2)C1 1359319764 FROJKJWVQCWDEU-MSOLQXFVSA-N 406.527 1.885 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359343942 GTDVOIZHSZQYQM-NVXWUHKLSA-N 417.535 1.543 30 10 HDEE Cc1cc(C)cc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1361041582 CTKZEUHLUJDYOZ-ROUUACIJSA-N 410.478 1.654 30 10 HDEE Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ncc1C#N 1441601123 IKYZAJKCVXSYPZ-QGZVFWFLSA-N 414.487 1.649 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 1448500394 IJNLHGGMCFJKRU-UHFFFAOYSA-N 407.423 1.315 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCc1ccnc(C#N)c1 1448877262 NYPVZDURHZOALD-UHFFFAOYSA-N 415.519 1.422 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1455496299 PRHJHRPCLYZTIU-CVEARBPZSA-N 401.488 1.944 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)cc2)nc1 1456026170 QCZPPFUPKIAWMZ-MRXNPFEDSA-N 401.444 1.367 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)c1 1457815674 AMMWBUSGRVYBSY-AEFFLSMTSA-N 400.460 1.268 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC2)c(C)c1 1459880835 MPSOVLLSDAHOMU-FQEVSTJZSA-N 406.552 1.664 30 10 HDEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1C 1461172376 IVMUAZVPRPAVLJ-UHFFFAOYSA-N 423.445 1.918 30 10 HDEE C=C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1465146654 ANESAVKPKYEKAP-OAHLLOKOSA-N 410.540 1.986 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)CS(=O)(=O)CC)s1 1465175149 JWAQCKSWVAWRJO-GFCCVEGCSA-N 408.567 1.037 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2CCCOc3cc(Cl)ccc32)c(=O)nc1O 1469541373 CAHYTQIPCYDEHV-AWEZNQCLSA-N 403.826 1.687 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 1470478102 WMMCFHPCUDBQRU-MRXNPFEDSA-N 412.389 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)Nn1ccc(O)nc1=O 1470662189 XTYVGKDZXUZABB-MRXNPFEDSA-N 411.418 1.425 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)Cc2ccccc2)c1 1472255324 LMDMOFLGYZZLNN-SFHVURJKSA-N 414.483 1.502 30 10 HDEE COc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1504317585 ASJJLBCVZGJLRC-JXFKEZNVSA-N 414.441 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)cc1 1507514812 FAZIKQCTOZOANY-HOTGVXAUSA-N 419.551 1.988 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507635082 PJTOQTSHCUXPPI-LJQANCHMSA-N 421.611 1.976 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@](C)(O)C2CC2)CC1 1507721359 RYCJTIJKVOFLOK-NRFANRHFSA-N 410.478 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCC2)CC1 1507737633 AZDBOBUFCCVGBH-IBGZPJMESA-N 414.554 1.234 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(C)noc2C)CC1 1507737871 GNQDCSMOWKGJEJ-UHFFFAOYSA-N 422.493 1.298 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507893634 KHNIJMAATXJDHR-QGZVFWFLSA-N 418.542 1.314 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507930620 GTWLJLCZZBGPDR-SFHVURJKSA-N 413.526 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC1CCOCC1 1508137239 LDQJJDSOQLRCIS-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C)O1 1512502493 ZGXISQDSULXIFV-HOTGVXAUSA-N 412.494 1.821 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1521062418 CLBMBZLJULQMBH-YJBOKZPZSA-N 404.450 1.136 30 10 HDEE C#CC1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1530078974 BCGCXROAOXGMQL-UHFFFAOYSA-N 403.504 1.025 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1531928280 PGRUSWVXDPLBFY-QFIPXVFZSA-N 417.554 1.973 30 10 HDEE COC(=O)[C@H]1C[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1533874464 PEVQAINQGSUSCR-CALCHBBNSA-N 419.503 1.369 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1538750990 YWHCHEIJWVPZLG-INIZCTEOSA-N 406.280 1.713 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)O)c1 1539043827 UVBLUDZCNQJNDS-QGZVFWFLSA-N 411.506 1.999 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccnc1N1CCOCC1 1539185119 AOXFCJHSBYECJM-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230574 IBSMHSNIVHGAEX-SIRPWMCASA-N 408.524 1.210 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCN(CC)S(C)(=O)=O 1539246811 RJJSHDMSWAHCMC-UHFFFAOYSA-N 403.508 1.591 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(OC)OC)c1 1539259301 CFTUWAVKZVAXKX-GOSISDBHSA-N 407.474 1.642 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1539461780 LOPIWXKATMLZEL-NRFANRHFSA-N 401.486 1.617 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539608656 BZPMOEPRRAZIKO-RYUDHWBXSA-N 409.350 1.981 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1540006475 UUROVUPKPJDQBU-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1540737929 SKVBBQYDCQSFGT-YVMONPNESA-N 421.450 1.546 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1540872669 XBIJYGDTKLADIV-SFHVURJKSA-N 410.522 1.442 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1540899708 YGFOJRWEVNKLGY-UHFFFAOYSA-N 423.926 1.478 30 10 HDEE CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)NCC(=O)NCC#N)CC1 1544135717 NZPVRRWVAVXEPJ-VAMGGRTRSA-N 412.534 1.932 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1548318176 CVFONXDWIXIMHN-RHSMWYFYSA-N 419.507 1.964 30 10 HDEE CNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@@H]2C(N)=O 1548377366 JAYRWPBGPNHINK-OAHLLOKOSA-N 409.412 1.920 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1554516705 HKTIDENKTPSHNJ-KRWDZBQOSA-N 410.478 1.731 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1555500349 XLNFVYGOSIPCBA-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)C1 1556131972 AYVLICAFOQCZHJ-JSGCOSHPSA-N 413.482 1.911 30 10 HDEE COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1557365595 OWBJWCFPVAHTHG-CQSZACIVSA-N 406.487 1.585 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)[nH]1 1557851418 LZFYAOPLDPMNON-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCC(=O)OC 1557879307 PNDWASLOLWPQET-GFCCVEGCSA-N 405.879 1.208 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1561675666 RKCSDWUCZKUGGU-KSSFIOAISA-N 406.508 1.961 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1562523317 GZFJVZMETXFPHQ-MRXNPFEDSA-N 420.535 1.793 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531359 RNNHGONQXPIUGR-KSZLIROESA-N 413.478 1.992 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 1565166921 CKYKUMSCZFABCP-UHFFFAOYSA-N 405.524 1.237 30 10 HDEE COc1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc(OC)c1OCC(N)=O 1583811816 MZELKMICRNTPBR-MRXNPFEDSA-N 413.430 1.245 30 10 HDEE Cc1cc(O)cc(=O)n1CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847796 FDOPXYUXCAKHOI-UHFFFAOYSA-N 418.457 1.473 30 10 HDEE CN(C)CC#CCNC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1587079093 SIZFRTWXQOYRRU-UHFFFAOYSA-N 401.511 1.434 30 10 HDEE C=CCCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)nn1 1587321773 FLXXBJOTSXNLQG-HIFRSBDPSA-N 415.416 1.542 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1587705758 ICUAJPBAZNQLAG-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCOCCS(C)(=O)=O 1587937091 GXNMLEYZPGPLJD-UHFFFAOYSA-N 402.476 1.822 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588314858 SMTSARTYYYLBRU-PMACEKPBSA-N 422.533 1.762 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(C)=O)CC1 1589530645 XQPXCVLTJLNNJG-VQIMIIECSA-N 413.526 1.765 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595477418 USJXUGMOKSJQER-UHFFFAOYSA-N 414.514 1.219 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1595776750 DZAJZCUNLXRXJI-WMZOPIPTSA-N 420.535 1.786 30 10 HDEE C#CCN(C(=O)c1ccc(=O)n(CCOC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1596142594 YROMQRITRXKJBK-UHFFFAOYSA-N 418.494 1.365 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@@H]1CC[C@@H](C2OCCO2)O1 1611039192 CJFKMDLFARJISL-VYDXJSESSA-N 401.467 1.086 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)COCCO1 1611804180 MIRFIKNBVYDDNP-LPHOPBHVSA-N 423.539 1.116 30 10 HDEE N#Cc1cc2cccnc2nc1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1612577011 WXRSRKFZDSZNQJ-UHFFFAOYSA-N 408.487 1.658 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1613319896 IALSUBFYGRRXGM-JTSKRJEESA-N 424.553 1.451 30 10 HDEE CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1615186697 PWBBJQNPJKPXAD-FBMGVBCBSA-N 415.498 1.275 30 10 HDEE CN(CCN1CCCC1=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1617460453 CYHKHVNTAJUPBH-ZGOJQLDESA-N 404.511 1.854 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1618449601 POZYXUPZUBABGI-IAGOWNOFSA-N 400.483 1.456 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OCC 1622450700 XXJSOWKPOSXSHA-CYBMUJFWSA-N 400.840 1.265 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1625387694 OMYQYYICFBCPAT-ZWKOTPCHSA-N 422.547 1.018 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccnc2N2CCOCC2)c1 1625671926 OQBVGIUAJQFPCR-UHFFFAOYSA-N 404.423 1.607 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1625694424 QRKAPLLSNZNZBS-QGZVFWFLSA-N 423.558 1.444 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c1OC 1627357843 ZKXYKBXTPZTWHX-IRXDYDNUSA-N 413.430 1.672 30 10 HDEE CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1627734943 JYAJXDYTHRUUPY-KSSFIOAISA-N 401.442 1.900 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 1629801981 ZONOQUMLWBONPF-HNNXBMFYSA-N 400.435 1.988 30 10 HDEE Cc1c(Br)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1C 1632532723 GPVLYCOUCWBEBB-MNOVXSKESA-N 412.288 1.980 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)CCOC1 1633316788 OFFKIQPGCQVARK-KNQAVFIVSA-N 415.490 1.438 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1634389931 UUSXZQDXBIGDTQ-LEWJYISDSA-N 416.522 1.642 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)nc1 1636197765 AFQABCJGDSDCPP-GOSISDBHSA-N 408.437 1.729 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CC[C@@](O)(CC#N)C2)c1I 1638967707 DKQDWWCVDKDPOA-AWEZNQCLSA-N 402.236 1.733 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc21 1639674365 OZLIKLTYILIGIY-SJORKVTESA-N 424.457 1.897 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)c1 1639833279 DGKYXGDQKBODNF-UHFFFAOYSA-N 412.393 1.469 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2cc(F)ccc2F)cc1 1640610964 VOLGSXIFEZPQFY-QGZVFWFLSA-N 409.414 1.620 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](COC)c2cccc(OC)c2)cc1 1640970958 WSFZIISVTZGCKX-IBGZPJMESA-N 402.472 1.724 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1C#N 1641801439 AMUWTRXQQPUXKA-NEPJUHHUSA-N 422.454 1.195 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1643543252 LXPLDDDLXVLXQC-RDTXWAMCSA-N 424.295 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1643808906 WSWNGPZAAYSYHW-UHFFFAOYSA-N 418.469 1.718 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@]2(CC(C(=O)OC)=NO2)C1 1643873983 JYJZMZUJUAQIAT-OAQYLSRUSA-N 410.430 1.971 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)C1 1644638590 VIOQBNUEOQPEGA-KRWDZBQOSA-N 415.515 1.894 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1cncc(C#N)c1 1645029913 MCPHYXVMOBITKT-SFHVURJKSA-N 418.544 1.978 30 10 HDEE COc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)sc1Br 1648028758 MMMQIKQIPUQKMR-UHFFFAOYSA-N 411.237 1.350 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)CC1 1648152106 SLJXWHRPLVPHOL-XUZZJYLKSA-N 410.562 1.129 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)c(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1648515565 FFCODNNTGVCPAM-SJORKVTESA-N 409.483 1.916 30 10 HDEE CS(=O)(=O)c1ccc(OCCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1653211038 LJSHUUIEOGOZOW-UHFFFAOYSA-N 405.501 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C(=O)C1 1653212646 NITWKBINPZTIPC-UHFFFAOYSA-N 419.507 1.166 30 10 HDEE CC(C)C[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N(C)C(=O)OC(C)(C)C 1653762919 IQUHZVGGVXZIOJ-HNNXBMFYSA-N 419.482 1.485 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 1653852169 WKGPPJYZDRKSMQ-MRXNPFEDSA-N 407.426 1.940 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(c4nc(C)c(C)[nH]4)CC3)CC2)o1 1654809894 IFAOHQURKLKQBU-UHFFFAOYSA-N 411.510 1.723 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1656068188 QYSKNIKXDXAFQN-IBGZPJMESA-N 420.531 1.825 30 10 HDEE N#Cc1ccc([C@@H]2CN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CCO2)cc1 1660386768 AOFLXGVWZMLEBS-IBGZPJMESA-N 414.412 1.965 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1665224934 NHSQQRKXITZWQJ-UHFFFAOYSA-N 407.261 1.348 30 10 HDEE C=CCN(C(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1)[C@H]1CCS(=O)(=O)C1 1670857988 CQLBPNRCJALJOG-NSHDSACASA-N 415.493 1.729 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCCOC1 1671495219 NSKBSCOIRXBWPJ-MDOVXXIYSA-N 424.498 1.405 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1674009449 IFQIXSCWMFROJT-CQSZACIVSA-N 401.496 1.820 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC#CCO)CCN1C(=O)OC(C)(C)C 1675464708 FZZNIVOEEOBCTR-UHFFFAOYSA-N 412.487 1.397 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(N4CC[C@@H](O)C4)CC3)C2=O)cc1 1681514797 COQFWJKIZXJEHA-UXHICEINSA-N 411.506 1.294 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1689826551 QGLPRXCNOOPMRF-CKFHNAJUSA-N 423.514 1.393 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689885904 ZCQKOVSGVFCECS-HNNXBMFYSA-N 420.481 1.071 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1689907721 JQGTWNQMGAERKC-UHFFFAOYSA-N 400.449 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1 1690098929 XEAGNFIBLQYJDI-QGZVFWFLSA-N 402.520 1.856 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CSCCS2)n1 1690107755 ATXSKXISWDHMFS-QGZVFWFLSA-N 406.581 1.918 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccsc2)N(C)C)CC1 1690133957 ZWVJLNYADBECTQ-SFHVURJKSA-N 402.568 1.934 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CC(C)C 1690665555 HTQNOKZSMWPKGD-UHFFFAOYSA-N 409.498 1.705 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1690734233 ZCKQZTDDBWCZCT-QGZVFWFLSA-N 422.599 1.494 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCCCO 1691871268 RFCZBNMSEGHLLP-INIZCTEOSA-N 414.514 1.177 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nnc(C)s2)CCOC1 1696050456 BCNVHEQVYSLDHE-QZTJIDSGSA-N 421.502 1.775 30 10 HDEE CNC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1697010816 YMCCULIIHTVYHS-WOJBJXKFSA-N 404.515 1.585 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC(=O)NC1CC1 1697566971 AWHXRBZEBIYLSH-INIZCTEOSA-N 410.478 1.741 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1705534586 MAQRBAOWHFOQPE-MRXNPFEDSA-N 407.540 1.405 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccco1 1705580021 BHGDLSVVPSCAIW-OAQYLSRUSA-N 407.430 1.579 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NCC)CC1 1705708338 BBDFZHAGERASTQ-SJLPKXTDSA-N 406.531 1.647 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705830631 UIGDBUNVTCDEDA-BRWVUGGUSA-N 408.499 1.473 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1705835103 ZWAQKGZOADOIHQ-ACJLOTCBSA-N 411.528 1.628 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1705844088 VOMSNULMNCSXKF-LSDHHAIUSA-N 415.560 1.294 30 10 HDEE C[C@@]1(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)COCCO1 1706961644 CTKPWZMSLMBFJX-HXUWFJFHSA-N 402.499 1.336 30 10 HDEE Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1707864249 XKSHXKVRVJRLOF-MVZUJROASA-N 424.461 1.389 30 10 HDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1F 1711820586 BBBBKYZMLKXDOJ-VHEBQXMUSA-N 414.441 1.897 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cnnn2)CCO1 1712884585 OOKBNFAMRUKCKI-INIZCTEOSA-N 413.873 1.328 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722334217 DEFPYTAHJZJBKF-INIZCTEOSA-N 402.524 1.147 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1722413917 SOCGHQJKYBZIDR-INIZCTEOSA-N 416.507 1.041 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC=CCO2)CC1 1722448504 CXYNDVORPFRLFR-HXUWFJFHSA-N 420.517 1.575 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722460776 ZBNUKNDBDLEGGP-QZTJIDSGSA-N 405.568 1.843 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCOCCS(C)(=O)=O)n1 1724472563 FZQWXMYJXIDZNY-OAHLLOKOSA-N 406.512 1.448 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2conc2COC)CCOC1 1728777698 AZKPOROAYJPURT-HXUWFJFHSA-N 416.482 1.853 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1oc(CC)nc1C 1740604546 BYTPMGJUNCBOBI-UHFFFAOYSA-N 403.450 1.897 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCOCC2)CC1 1740693876 PPWJIIKNMKHCEU-UHFFFAOYSA-N 424.549 1.431 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740946233 CCONFEGAJXUBHW-KRWDZBQOSA-N 409.494 1.176 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)CC 1744676949 AKRZRHVTNQHYKZ-UHFFFAOYSA-N 416.551 1.864 30 10 HDEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1746186789 PPTOPDOKOJWCPS-UHFFFAOYSA-N 412.542 1.538 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1747456555 KMVUBQYDHPGPOY-MVJQZIEYSA-N 412.519 1.300 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(N)=O)nc1 1747706569 GXMBIJCQZFZLDD-SFHVURJKSA-N 417.473 1.832 30 10 HDEE C#CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764051 GTVIACJEPCTMFC-NQIIRXRSSA-N 419.526 1.073 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCOC1 1748777031 WHXICFHSOALWOO-MRXNPFEDSA-N 417.535 1.691 30 10 HDEE COc1ccccc1-c1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1749007690 IGXIUINYXIMQJO-ZZEZOPTASA-N 424.461 1.317 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@H]1C 1749115726 VMKJPEYORZYJEC-IKGGRYGDSA-N 416.526 1.162 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749193265 DKIMRRBQSJSEES-ROUUACIJSA-N 404.559 1.785 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749433982 CJZUZDBMTDJZGP-CQSZACIVSA-N 416.507 1.877 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749664190 HUJODZXRHZGLSI-CYBMUJFWSA-N 407.471 1.010 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CC(OCC)C2)C1 1749714342 HUUQEPZILIJYNB-FLPIEVNYSA-N 413.522 1.975 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CC(=O)N2CCOCC2)C1 1749717482 LPWFOQCLHBYGAG-GOSISDBHSA-N 403.527 1.651 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(OC)CCOC1 1750134518 TWKHINBXSSFFIZ-ZWOKBUDYSA-N 405.499 1.548 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCSCCCO)cc1 1750384980 XKTLTPVTBLDJNH-UHFFFAOYSA-N 403.508 1.681 30 10 HDEE CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1750784863 ANCFIWUDEXFGCL-FQEVSTJZSA-N 417.535 1.849 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1751652358 FVCSXPKKDNEWOR-DYESRHJHSA-N 410.478 1.373 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760148802 MNLJBWWCFSXLEY-SFHVURJKSA-N 413.478 1.327 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760156114 VPSSKDWZMRZMIN-UHFFFAOYSA-N 407.478 1.198 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760156384 FMVQUTAVZPAJOZ-HNNXBMFYSA-N 407.565 1.814 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CC(OCC)C1 1760199257 SLOLJFNAQZTJGH-UHFFFAOYSA-N 424.501 1.965 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1760461612 ANDKVOYDFAIWGP-ZDUSSCGKSA-N 414.491 1.651 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC[C@@H]1C 1760523223 QCUWCNBPCPCKJS-INIZCTEOSA-N 407.478 1.658 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1760524183 QSXXIFKZAZGPGZ-HNNXBMFYSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760528713 KOJMZFKHRBMNMR-ZRGWGRIASA-N 409.556 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)CC)C1 1760546729 VEADANUFVXOKGJ-GOSISDBHSA-N 423.521 1.776 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)[C@@H](C)C1 1760610243 WNDIZNVHWFIGPA-OXJNMPFZSA-N 424.505 1.679 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCS(C)(=O)=O)CCOC1 1761275132 SQTVYLIHHMJIOJ-CRAIPNDOSA-N 413.544 1.492 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncccc2N(C)C)n1 1762457963 CBBUQFBJZBVEDZ-KRWDZBQOSA-N 421.509 1.378 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)cn1 1765325364 GBJSBMUZHAFSGJ-UHFFFAOYSA-N 404.478 1.750 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2([S@@](C)=O)CC2)CCOC1 1767449941 HSYXKRFKVHCSDO-UMBDKKFESA-N 421.567 1.971 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1769977399 HTYGEOCIFJKADK-NJAFHUGGSA-N 407.515 1.794 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCSCCCO 1771289757 WQCZMKUVJLWXRP-IRXDYDNUSA-N 409.556 1.858 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)n1 1853206184 NEUPOVLGWWLPKU-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1853681752 CWBISHMMOHZHAD-LJQANCHMSA-N 417.531 1.776 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cccnc3)C3(CCCCC3)C2=O)CC1=O 1854109624 SHBWUEXQVADVST-LJQANCHMSA-N 410.518 1.990 30 10 HDEE C=CCN1CCN(C(=O)C2CN(c3nc4c(OC)cccc4s3)C2)C(=O)[C@H]1C 1854282850 QLKKDLYYBNTIRC-CYBMUJFWSA-N 400.504 1.986 30 10 HDEE CCCC[C@H](F)C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283915 QEYIKXBUHBUXSQ-DOTOQJQBSA-N 402.474 1.515 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cccc(C#N)c3)C(=O)O2)CC1 1855135060 KCTDRUICTQBLJQ-KRWDZBQOSA-N 405.476 1.969 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855247197 NRDZLMUHJFTYOE-MRXNPFEDSA-N 419.503 1.247 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1=O 1855423899 IDHUFHYGNYUAIB-APWZRJJASA-N 410.478 1.599 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OC1=O 1856099617 ZIAKCZIMWUZAES-HNNXBMFYSA-N 413.402 1.627 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)cc1 1856632472 SLKBGUUYVVLRTI-UHFFFAOYSA-N 417.531 1.920 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)CC1 1857043774 XNJLGZKQDHVKLO-NEPJUHHUSA-N 413.393 1.217 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(OC)ccn2)C1)[C@@H]1CCN(C)C1=O 1857080017 JDYPBVYLOPSXLQ-CRAIPNDOSA-N 400.479 1.188 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C2)CC1 1857205547 LCXFCHBEMLPUCF-MJGOQNOKSA-N 412.490 1.864 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(CNC(=O)c3cccc(C#N)c3)cc2)CC1 1859529346 DDQREWWKPUKLFK-UHFFFAOYSA-N 412.515 1.814 30 10 HDEE CN(C)c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1870098247 UXGNLHKWGMAINJ-UHFFFAOYSA-N 413.419 1.914 30 10 HDEE C#CCOc1cn(CCCOCC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870559939 UVLLYWSOQGQAPC-UHFFFAOYSA-N 411.506 1.399 30 10 HDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCC(N(C)C)CC1 1870630342 OWBDGCORWLVGCI-UHFFFAOYSA-N 404.555 1.808 30 10 HDEE C=CCNC(=O)[C@H](CCSC)NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 1873841441 UBYNZMCCXDPIOO-JYJNAYRXSA-N 404.536 1.401 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(Cl)c(Cl)c1 1874432757 WBLNANYUHRKATF-PTXOJBNSSA-N 401.279 1.681 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCC2CCN(c3ncc(F)cn3)CC2)cs1 1890192875 IVPHNUZQNFDAQT-UHFFFAOYSA-N 404.471 1.634 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccccc2)C1 1891371566 IQZXPHYZAYURHC-INIZCTEOSA-N 414.487 1.972 30 10 HDEE C#CCCN1CC[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2139354438 QDXNMFVJWAOFPV-QGZVFWFLSA-N 417.531 1.470 30 10 HDEE C#CCn1ncc(NCc2c(Br)nnn2C)c(Br)c1=O 2145573467 VSAQQQSLLJVIEI-UHFFFAOYSA-N 402.050 1.142 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2174781052 BJLYJBYCSZNWLG-AREMUKBSSA-N 414.509 1.607 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N1CC[C@@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174786561 KYTNTUJEFVTGIH-CVEARBPZSA-N 400.545 1.682 30 10 HDEE C#CCN(C(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180093915 ZLXUVKHUZQFSBT-QWHCGFSZSA-N 406.451 1.280 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CS)C(=O)O)[C@H]2CCCO[C@@H]2C1(C)C 2180248511 RHELZUDYPRJCMV-DBYGNECLSA-N 402.513 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@H](C(=O)O)C(C)(C)S)=NO2)C1 2195308399 ZRJQARDQWPDAFP-PIGZYNQJSA-N 401.485 1.420 30 10 HDEE Cc1cc(CN(C)C(=O)[C@@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2202311889 LNDDBHVLTCBWSJ-GFCCVEGCSA-N 401.359 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2212744202 ITRRNCMOYHKYKV-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238441013 MOFKDTPQYPLOIB-YVEFUNNKSA-N 415.537 1.906 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243418920 NNJCOWFPDYAWGU-WCQYABFASA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCOC1 2244545929 DRPAPVYRRIUENC-FQEVSTJZSA-N 408.304 1.811 30 10 HDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H](C)NC(=O)OC(C)(C)C 2247838376 HCJUUCKGIQZVJT-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N(CCC(N)=O)Cc3ccccc3)nc2)OC1(C)C 2247906203 MMYUVHSLPWFLOW-UHFFFAOYSA-N 410.283 1.294 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2247928068 WJMNWHVOMQUBTM-QGZVFWFLSA-N 408.311 1.780 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)cc2)OC1(C)C 2267417802 YWBCMNRHPVIYSM-MRXNPFEDSA-N 409.313 1.560 30 10 HDEE CN([C@@H]1CCSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703504 XHOIYNLYXAHWPU-LLVKDONJSA-N 404.388 1.709 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2)OC1(C)C 2267713718 DFUXIMIROYKBQE-UHFFFAOYSA-N 409.313 1.513 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CC[C@H]3N)cc2Cl)OC1(C)C 2271976469 XMMNGUDTOSOREN-MWLCHTKSSA-N 406.766 1.716 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3C[P@@](C)(=O)C[C@@H]3O)c2)OC1(C)C 2282333989 VYFGBHRJHZUODL-DIADJTQKSA-N 421.286 1.062 30 10 HDEE CC[C@@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282340524 HDLDISOSDLFREK-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282415380 GXHHXBWHNUFDKK-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CN(C)C1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCC1 2282423767 STJUGTIWTYYSLZ-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282500127 IEHOWVXEHUSSRJ-SHZVTRLKSA-N 401.359 1.172 30 10 HDEE Cn1ncc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)c1Cl 2282501902 DBHTVNDPMSJHQI-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE COCC[S@](=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282663556 RCQXUCUULNEFCJ-AREMUKBSSA-N 401.359 1.481 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(CCN)C3)c(Cl)c2)OC1(C)C 2282835419 UOJLTTKTUADYJS-UHFFFAOYSA-N 400.737 1.609 30 10 HDEE Cc1cc(S(=O)(=O)NC2(C)CCNCC2)sc1B1OC(C)(C)C(C)(C)O1 2282841786 PRCNPKFKMDGTED-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE CC[C@H](CSC)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282853796 JGDMBZISTMFXNC-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE C[C@@H]1C[C@H](O)[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866593 MDISXGKVKCGQHF-BZPMIXESSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2C[C@H](CC(=O)O)C2)OC1(C)C 2284414756 JOQVXELTXHKWPW-XYPYZODXSA-N 401.315 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(NCC#CBr)C(=O)O 2305987350 AFYTZYIETUSDMX-LRDDRELGSA-N 405.289 1.801 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C2(C(=O)O)CN(C(=O)OCc3ccccc3)C2)CC1 2345144529 KGDOWEJLGGTPNS-GOSISDBHSA-N 400.479 1.628 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365206616 ZTLPUAPANOLKCF-RTDGIWMLSA-N 400.541 1.147 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2367783475 HXVQOLXUWGVZQW-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367828102 NIZOHVIIJZSEOU-HVEKOLDVSA-N 400.541 1.435 30 10 HDEE CCN1CC(CNS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2368396775 QDDPFRWEDYUEMQ-UHFFFAOYSA-N 400.375 1.586 30 10 HDEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)ccc21 13791863 NZKCZPGIKUXFEH-UNQMGURYSA-N 409.533 1.996 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 27903404 PJTCQBJUFZPMOO-SFHVURJKSA-N 413.522 1.250 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)ccc1Cl 56054618 SQZBFCFEEZMQEA-MRXNPFEDSA-N 401.941 1.698 30 10 HDEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccccn1 170353458 VCVPIAFVQXNDFN-MRXNPFEDSA-N 401.444 1.854 30 10 HDEE COC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 431642321 BWBJWXRQMRCJOO-UHFFFAOYSA-N 403.416 1.085 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C(=O)NC)C(C)C 435458573 PTVCJOYHWKYSPW-HNNXBMFYSA-N 412.284 1.985 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1nnc2n1CCCCC2 464820164 DXLKAECRCSLYQN-HUUCEWRRSA-N 409.498 1.647 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 472679314 UFCQDKIPSFJWFE-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c(F)c1 480685977 XXJPKDVJMDRLLC-UHFFFAOYSA-N 401.485 1.073 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508830546 ZMKMOOACTQXTON-MRXNPFEDSA-N 408.462 1.661 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CF)C(=O)OC 519563120 SPSMUCPFJCRIOU-LLVKDONJSA-N 403.204 1.726 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C[C@H]1CCS(=O)(=O)C1 525411676 XVBLJEMYWNFFSL-MRXNPFEDSA-N 410.540 1.318 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1(C#N)CCN(C)CC1 534316853 SHZSDHUUHNTKKS-UHFFFAOYSA-N 414.325 1.879 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1 544839249 PIBAVNCHWBVQOU-QUCCMNQESA-N 414.554 1.922 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(S(C)(=O)=O)CC1 549656418 GFKDYHLTERRQER-UHFFFAOYSA-N 406.468 1.511 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 552582449 LSLIPKSUXGXGMK-IUODEOHRSA-N 415.475 1.502 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2CCN(C3CC3)C(=O)C2)cc1N1CCN(C2CC2)C(=O)C1 553152210 GABPFOZUXDWZJE-UHFFFAOYSA-N 424.461 1.088 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCn3cc(Br)cn3)CC2)n1 553982876 HCCXGWMHLYLXNM-UHFFFAOYSA-N 404.272 1.444 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2CCCOC)c1=O 559153211 ZTBUEQDJNRIEPE-UHFFFAOYSA-N 412.515 1.201 30 10 HDEE COc1ccc([C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2nccn2C)cc1 584251017 CLTXNVJENNKQBY-SFHVURJKSA-N 422.493 1.969 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418556 SPIRKESVFVJSCX-ZDUSSCGKSA-N 421.478 1.709 30 10 HDEE COc1c(F)cc(CC(=O)NCc2ccc(OCC#N)cc2)cc1S(N)(=O)=O 727677087 NNKCWKLRIVTOPH-UHFFFAOYSA-N 407.423 1.243 30 10 HDEE CC(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730145141 XBUUEVREWWIQNL-INIZCTEOSA-N 419.551 1.441 30 10 HDEE C=CCc1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1OC 732458248 GVVVYNXILYEDRS-ZZEZOPTASA-N 414.462 1.758 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732560910 CAADZARKEVOHAP-HNNXBMFYSA-N 414.531 1.423 30 10 HDEE N#C[C@@H]1CN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCN1C1CC1 732676569 KNPSCOOQWIODKY-HXUWFJFHSA-N 410.522 1.471 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 737972700 RUBWWALYNXDWDH-FMKPAKJESA-N 420.535 1.444 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 742176811 REDWUEVVOXAVHK-UHFFFAOYSA-N 402.451 1.744 30 10 HDEE C[C@H](CC(=O)NS(=O)(=O)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 744079022 FMAOJHHBMWETNY-GFCCVEGCSA-N 413.521 1.282 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1 745586682 OKJCBFGCFWQODQ-UHFFFAOYSA-N 422.846 1.858 30 10 HDEE COc1cc(OC)c(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 746236848 DIGNWVWGHJUSME-VXPUYCOJSA-N 403.435 1.288 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[C@@H](C)CS(C)(=O)=O 757982999 CJYZZARFLSAGBQ-JLTOFOAXSA-N 420.487 1.375 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(-c3cnn(C)c3)no2)c1 769068162 QRNWZRSFTWIBTR-UHFFFAOYSA-N 400.416 1.344 30 10 HDEE C[C@@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 769864821 AUWRHRYWZVCPGX-DOXHGZAWSA-N 400.526 1.640 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1 773323997 ATMIAHGXTSRLFF-QGZVFWFLSA-N 404.467 1.872 30 10 HDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1 779935788 AVVRZXLGDCYFNR-UHFFFAOYSA-N 400.522 1.814 30 10 HDEE C=CC[C@]1(C(=O)NCCC(=O)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 790632734 BUXXQPVKVQGKEZ-OAQYLSRUSA-N 408.543 1.613 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2c(Cl)cnn2C)C1=O 797455683 CAFQLOQLJIPMTB-HNNXBMFYSA-N 405.908 1.938 30 10 HDEE COc1cc(Br)c(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798741561 SZRUDBRNVUCLCP-SECBINFHSA-N 423.223 1.917 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 798809051 WIPUEJHEYNWKAR-PKOBYXMFSA-N 412.446 1.564 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1cc(O)n2ncc(C#N)c2n1)C(F)(F)F 811423642 UINQDPBXVFHNQW-NSHDSACASA-N 415.328 1.805 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812386069 LCHJZGKYAYSASX-DLBZAZTESA-N 418.519 1.320 30 10 HDEE N#Cc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1Br 1124644374 KJUQPKVODNOFRT-UHFFFAOYSA-N 408.277 1.941 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C#N)cc2OC)CC1 1124997539 RGHBDAVSFKIHRR-UHFFFAOYSA-N 416.478 1.814 30 10 HDEE CC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1126778690 PVMSRNBVZBWLSZ-CVEARBPZSA-N 410.515 1.717 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 1131708425 FYOVKBUPEPMYDM-LJQANCHMSA-N 406.548 1.915 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1135001213 SIBVSPWFZIOSCD-UHFFFAOYSA-N 413.293 1.741 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](COCc2ccccc2)C1)c1cc[nH]n1 1148061091 BESIDNKGOAFHQB-KRWDZBQOSA-N 414.462 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 1158516108 JYGUFNJBSSEOIU-RTBURBONSA-N 405.539 1.695 30 10 HDEE CCN1C[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1165356879 KYRFGYOBMJXVTC-LBPRGKRZSA-N 405.296 1.742 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](C3OCCO3)C2)CC1 1176209576 GUQFFKKTUJNXGR-IEBWSBKVSA-N 402.470 1.229 30 10 HDEE CC(C)(CCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1176249600 HFHZAWPZDVIPRT-UHFFFAOYSA-N 424.523 1.646 30 10 HDEE N#CC1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1186123052 ANGHIUMCHRFPPT-GOSISDBHSA-N 407.492 1.589 30 10 HDEE CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1188182696 AESGBHDOEBFMKW-GFCCVEGCSA-N 404.261 1.749 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CCOC1 1196275859 QRDYLKPKCZGLCV-DENIHFKCSA-N 412.490 1.003 30 10 HDEE C#C[C@@H](NS(=O)(=O)N(CCC#N)CCOC)c1ccc(Br)cc1 1211982714 YYKBTZCVPZFQEB-OAHLLOKOSA-N 400.298 1.820 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc1 1214914572 VKDUBDMPTKQSSM-MRXNPFEDSA-N 420.535 1.904 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1252459584 SUDNEBGKYBTKAL-CQSZACIVSA-N 413.521 1.353 30 10 HDEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1258083017 GISPHVXYESXGCX-UHFFFAOYSA-N 406.489 1.702 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN1CCCC1 1286369235 IPCRVRSDSCWOJD-UHFFFAOYSA-N 405.506 1.840 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286384861 JYSFKUJVULONCH-DOTOQJQBSA-N 422.507 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C(C)(C)C 1286430945 LJYANDXCIHBLLA-DLBZAZTESA-N 406.552 1.704 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1286436272 XZSKUVKNJYOXKG-HNNXBMFYSA-N 409.556 1.481 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1286448620 ZLYKPNPLMVTJRB-QAPCUYQASA-N 411.597 1.077 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2COCCO2)CC1 1286473421 LRMOORLYKVHQKS-SFHVURJKSA-N 412.450 1.024 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2C)CC1 1286480669 OWCDCZQEJQUAFY-FGTMMUONSA-N 405.568 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC=CCC2)CC1 1286485472 MUHKLHFRAFSFIH-GOSISDBHSA-N 424.549 1.836 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286492175 DJXKWGAFNUHXQE-HOTGVXAUSA-N 423.464 1.172 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1286726616 GKYLJLLEKPOFEJ-HNNXBMFYSA-N 424.548 1.254 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286760428 LSOIGJXDYLCINT-OAQYLSRUSA-N 416.547 1.940 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1286793932 QBCROHZGHDBSSH-LJQANCHMSA-N 409.556 1.564 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1Cl 1289204264 JEHCCDXKPLPUEL-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CC(=O)N(C)C2=O)nc1C 1293014148 JWCSPJQPFXKGDS-UHFFFAOYSA-N 407.481 1.017 30 10 HDEE Cc1ccc(C(=O)NCCOCCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1293617806 GMZNIKROYNTUKZ-UHFFFAOYSA-N 411.329 1.085 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1296066651 DXTGQKITVREAPQ-SQGPQFPESA-N 420.583 1.795 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](N3CCCC3=O)C2)C1 1296366974 HXXOIKWROQGLQT-MRXNPFEDSA-N 417.307 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300272047 KJNVUBQOSVHYNU-KBPBESRZSA-N 418.523 1.353 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCOCC)c1 1300336248 AGTPSCZKVSLGHW-UHFFFAOYSA-N 424.505 1.493 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300353974 SRKYGKIZHKUCKE-UHFFFAOYSA-N 402.524 1.662 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300422064 XOZBFZMZWPGQLZ-DLBZAZTESA-N 406.556 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1300586768 KOLYMFSALKSUFE-LJQANCHMSA-N 411.531 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)nc1 1300591518 RZEOLFHZHDYMGF-UHFFFAOYSA-N 405.506 1.373 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)C1 1300888001 HENRFZPYAOTNPO-LAUBAEHRSA-N 411.506 1.795 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H]1c1nncn1C 1301569255 UKIADUBWKHJORY-HUUCEWRRSA-N 407.544 1.862 30 10 HDEE CCCn1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1303247413 QXFREVBFQOTEDS-UHFFFAOYSA-N 418.523 1.603 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)C1 1303534067 BDMCGOVKXPAEMP-UHFFFAOYSA-N 406.460 1.729 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)C1 1303557369 CSHFYTBFTWXZTA-INIZCTEOSA-N 404.515 1.410 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1cncs1 1303582844 APNNLZIEJUFZBC-KBPBESRZSA-N 422.532 1.446 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1305547266 FBAYFXSLXYVONF-HOCLYGCPSA-N 403.508 1.972 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305637110 FBFPGQIGINWEEV-GOEBONIOSA-N 422.555 1.225 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@H](CS(N)(=O)=O)C3)ccc2c1=O 1306909125 DSEGNIMHYWRGLL-WCQYABFASA-N 422.532 1.058 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 1307820675 MYCUASVYXBSRLD-INIZCTEOSA-N 415.515 1.080 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCCN2CC(F)F)C1 1312467901 CUPIKGMICTUOOR-MELADBBJSA-N 401.458 1.774 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCCS2(=O)=O)cn1 1314896395 FTVJJFLLQOVZHT-MRXNPFEDSA-N 403.512 1.386 30 10 HDEE Cn1cc(-c2nnc(N3CCN(CC(F)(F)F)CC3)n2Cc2ccc(C#N)o2)cn1 1314904456 OBNDVZOCOBETJO-UHFFFAOYSA-N 420.399 1.876 30 10 HDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1315875391 VYNCEYYJABVKLP-CHWSQXEVSA-N 408.484 1.101 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 1319451213 HIFZTDIIJBUWDB-XUTLUUPISA-N 412.446 1.486 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H](C2)C3O)CC1 1319829658 SUUARLPUODCDOZ-UQLWOSAYSA-N 400.498 1.627 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1350371865 OLULTUOQQPFEQL-AWEZNQCLSA-N 405.476 1.185 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)nn1 1350876597 XWUIIDRZANYPAZ-UHFFFAOYSA-N 411.434 1.279 30 10 HDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1nccs1 1355156305 QLGNODVZHDGFPL-UHFFFAOYSA-N 405.501 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1358872101 OPAICDUKJVKVII-GJZGRUSLSA-N 409.556 1.553 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1 1358896572 HMYVWDIEVZATTQ-INIZCTEOSA-N 405.506 1.939 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358912331 OTHLQBYQNOROEE-GOSISDBHSA-N 416.526 1.160 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1358917506 SNZAYXPBQFZFPD-CSODHUTKSA-N 401.511 1.449 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1358946274 OVTLDZGHELOHAX-OYHNWAKOSA-N 422.489 1.284 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963637 LLJMISUDTCKLMD-SFHVURJKSA-N 408.568 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1359000588 ZWZTUMAUMKMGSK-AWEZNQCLSA-N 421.523 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC1 1359023030 WIYDWFBCRBQLQH-UHFFFAOYSA-N 410.522 1.599 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCn1cccn1 1359048298 LKEFBDSSYSRILQ-UHFFFAOYSA-N 410.507 1.625 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nccc(C(F)F)n2)C1 1359311491 BSFCHRJOAXCALF-ZDUSSCGKSA-N 421.452 1.974 30 10 HDEE C=CCc1cc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)cc(OC)c1OC 1437766441 HULBIBAJAYJQMK-HOCLYGCPSA-N 405.447 1.999 30 10 HDEE N#C[C@]12CN(C(=O)CCc3cc(F)ccc3Br)C[C@H]1CS(=O)(=O)C2 1439794195 GXGZOEGRFJRJJE-BLLLJJGKSA-N 415.284 1.918 30 10 HDEE COCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1C 1441662159 CSYAUMXQKNPTNB-RELWKKBWSA-N 419.507 1.903 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CC[S@](C)=O 1444852871 GENONIPIDVLZPK-YBKWPNDMSA-N 413.565 1.413 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)C1 1445687613 KEBYEEYYKADWGJ-MRXNPFEDSA-N 418.519 1.305 30 10 HDEE C[C@@H]1CN(c2ccnc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c2)C[C@@H](C)O1 1454630651 CLKUKEPDUFBDGE-ZIAGYGMSSA-N 411.466 1.379 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1456686317 MVZOQWXIFIOMCZ-CVEARBPZSA-N 418.498 1.619 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(I)c(Br)c2)C1 1456811404 URVIZPZKEPASSY-UHFFFAOYSA-N 406.017 1.874 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2sccc2NC(=O)OC(C)(C)C)CC1 1462537079 SWPANAPJVSURTI-UHFFFAOYSA-N 414.553 1.680 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NC3CCCC3)C2)C1 1463863893 BXQNHTLPERJTSA-DBWCEAHUSA-N 404.511 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]2C[C@H]21 1464920867 BIZGMNZOKMUAAY-MRNLERLCSA-N 404.467 1.178 30 10 HDEE COc1cc(Br)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 1464928906 ZFFSCDDDZABLAT-BMRADRMJSA-N 424.251 1.723 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cc(=O)n3ccccc3n2)cc1 1466174465 HEKPNBXEJCRSPH-ZDUSSCGKSA-N 411.443 1.702 30 10 HDEE C#CCN1CCC(NC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1468356442 DGODOPZEOWVXCQ-UHFFFAOYSA-N 418.563 1.484 30 10 HDEE CN1CC[C@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1469261121 GIAJDVZGZQCEJV-AWEZNQCLSA-N 410.434 1.970 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1469762101 BNJZJRRLXJTNHS-OJAHFUOMSA-N 414.506 1.919 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1470304775 WLANIVFCKSMTDV-UZLBHIALSA-N 405.499 1.851 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@](C)(C(=O)OCC)c1ccccc1)c1cc[nH]n1 1471933638 QCWLVCLUAIUFQZ-HXUWFJFHSA-N 416.434 1.288 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)cc1 1472259360 ZAJQTFHWTADYNX-HNNXBMFYSA-N 416.459 1.080 30 10 HDEE COC(=O)c1ccc2c(O)nc(CN3CCN(c4ccc(C#N)nc4)CC3)nc2c1 1473774079 CPCRKENRCFZQKX-UHFFFAOYSA-N 404.430 1.711 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCC2(C#N)CCC2)c1 1475403349 AQPAMEPJJJNXRP-UHFFFAOYSA-N 407.311 1.825 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1494107932 PXAHKJZOGQEELG-XJKSGUPXSA-N 416.432 1.908 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(OC)nc1 1499151711 CGBBJLWXHKXNLF-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1502291700 FRNHFWAXXQLBRV-OGNFBWPZSA-N 406.506 1.928 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507629277 LVEUQHSCEBSNHM-GOSISDBHSA-N 410.503 1.354 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507833133 XVLQXEUOEAPSFV-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)CC1 1507881589 OVQVEUVKTAYCKJ-AWEZNQCLSA-N 422.559 1.440 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@@H]2OC)C1 1508107603 BDWUHQLKBPBBDU-BBWFWOEESA-N 407.515 1.249 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CC(F)(F)CO1 1510154915 XHWFBGXUZNDXSF-SDDRHHMPSA-N 406.459 1.051 30 10 HDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CC(=O)N(C)C)C[C@@H](C)O2 1512417532 AGMWTHZOURZBSC-VVBPWWLESA-N 424.505 1.678 30 10 HDEE C[C@H]1COCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1512545716 HXZABMVLGKARDR-DNTCVELPSA-N 423.477 1.015 30 10 HDEE COC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1517944504 HOOGTDQQNTYFJT-INIZCTEOSA-N 402.499 1.479 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1519394832 QOWHFNPCBRXLJN-QFIPXVFZSA-N 424.505 1.586 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1523036467 KWAGELZUGFITAC-LLVKDONJSA-N 421.338 1.382 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccc(C(C)(C)C#N)cc1 1534482223 OMNKKESWRRZUAE-UHFFFAOYSA-N 406.486 1.992 30 10 HDEE CNC(=O)Cn1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1C 1535631029 AKSRPPCMHFRAJM-CYBMUJFWSA-N 414.853 1.454 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1 1536735444 DGUSNBRDRFOHNW-UHFFFAOYSA-N 400.460 1.965 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1Br 1538844843 ZADHDAUMZLFVSI-HNNXBMFYSA-N 416.297 1.454 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539222910 YKLOFKGFZWBSFC-ZWKOTPCHSA-N 405.568 1.513 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 1539432396 JRESBDNQWISTIM-CYBMUJFWSA-N 402.192 1.773 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC)CC1 1539468287 CMGMKOJFRSPKAS-OAQYLSRUSA-N 403.527 1.695 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1539533208 MCKOVXLRUJBQOT-QZTJIDSGSA-N 416.551 1.906 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1539900989 ZQEIXJQDFIXKMU-MRXNPFEDSA-N 406.531 1.360 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)C2CCC2)C1 1540889770 TXMZNKIEHCWZPG-KRWDZBQOSA-N 411.510 1.823 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1541604852 LBZKKIUULQKTGK-QFIPXVFZSA-N 407.522 1.873 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N(C)C 1541864986 GUVLVUYWBJQWOV-QVKFZJNVSA-N 411.510 1.381 30 10 HDEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1543412383 BUFXVTKAPPSDBI-INIZCTEOSA-N 421.461 1.694 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCNC(=O)C2CCC2)c1 1555987605 JUPRZZWYXPAJRA-UHFFFAOYSA-N 407.478 1.059 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N[C@H]1CCCN(O)C1=O 1556782298 CHZFLPXGXIKUHH-HOCLYGCPSA-N 405.451 1.854 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1557941952 XWQNXEQTNNKDNS-YWZLYKJASA-N 408.474 1.161 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cccc(C)c2Br)CC1 1565590224 SDDFVMAWRYGYJT-UHFFFAOYSA-N 406.324 1.584 30 10 HDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCC1CCN(CC#N)CC1 1565738259 OMRULDWEBGWKGK-SJLPKXTDSA-N 421.586 1.564 30 10 HDEE CN1C(=O)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H]1c1ccccc1 1567771157 BTWGCDQEAYIVOT-SFHVURJKSA-N 401.419 1.736 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCOCC1 1587823175 LLYXFZFXESERPA-UHFFFAOYSA-N 417.535 1.836 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 1588002656 BEJGAONCAKWOHI-UHFFFAOYSA-N 403.446 1.609 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1588292847 DJRQFLVJDBPKEM-UHFFFAOYSA-N 421.523 1.313 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](C(C)C)N1CCOCC1 1588697136 QAOLDDTXINMMFX-RTBURBONSA-N 405.543 1.572 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1588811853 NDCJBGIZJXDIFM-AVRDEDQJSA-N 401.555 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@H]2C)CC1 1588913600 NZWUWPIYKAXSED-IEBWSBKVSA-N 424.549 1.922 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1589059740 IVSKICVRSOPVPG-UHFFFAOYSA-N 411.597 1.820 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589581971 XJCJFIXGMHQMMO-HZMVEIRTSA-N 405.499 1.062 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]1CS(=O)(=O)C2 1597371820 IXEBQOZLVZINIW-SCTDSRPQSA-N 423.485 1.541 30 10 HDEE COc1ccc(C(=O)Nc2cccc(C#N)n2)cc1S(=O)(=O)N1CCOCC1 1611045751 CDWVLYPFFNOHPV-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE O=C(CN1C(=O)CCOc2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648580 ALUITYLVKIAHDM-UHFFFAOYSA-N 423.425 1.706 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)C1 1611766809 BTQIJPFXINIEQX-LJQANCHMSA-N 415.523 1.690 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1611780050 FZFSOMHRRIZUNH-INIZCTEOSA-N 407.478 1.058 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1613005695 YCNOSXDXDYTOFN-RMYFCYLKSA-N 409.450 1.092 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1617870651 QHSJAGBAZLHMCT-UHFFFAOYSA-N 420.516 1.740 30 10 HDEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1620222407 BOPAADWQUMDMHH-KBPBESRZSA-N 411.553 1.195 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)c1ccc(Br)cc1 1628542840 KIINXGLYVCEATQ-HNNXBMFYSA-N 414.325 1.416 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)NC2CCCCC2)s1 1630737797 AKCKUKAUPYGUQS-UHFFFAOYSA-N 413.565 1.710 30 10 HDEE C[C@H](Cc1ccccc1Br)NC(=O)CCn1cc(C#N)c(O)nc1=O 1631547594 FVSZTCMTDDNGII-LLVKDONJSA-N 405.252 1.721 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2=O)cc1 1634918558 JLOSZFFLOGNOBO-OALUTQOASA-N 412.490 1.544 30 10 HDEE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1636274167 FOXZIHKHOZDQSJ-VTCYXGNWSA-N 419.503 1.558 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)C[C@H]1CS(=O)(=O)C2 1636512618 NBAMXNFGXYZLBZ-LAUBAEHRSA-N 410.451 1.634 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](c2nccs2)C(F)(F)F)cc1 1637298776 XOIVZMLABMVGIK-GFCCVEGCSA-N 404.395 1.713 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)C2=O)cc1 1639973572 FLVUWNNCILEPGV-XXBNENTESA-N 402.454 1.233 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCN(Cc4ccccc4)C3=O)C2=O)cc1 1639973928 QCZOIUIBLJKENF-NHCUHLMSSA-N 416.481 1.824 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)/C=C/C(=O)c1ccc(C)cc1)CCS2(=O)=O 1640208861 XJKXDDCVXXYJSL-BMZXKZMLSA-N 419.499 1.749 30 10 HDEE COc1cncc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1640546085 OSCZESSLBBSAMQ-UHFFFAOYSA-N 403.464 1.723 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1641033673 GAZXIUWDOKKLTB-UHFFFAOYSA-N 410.409 1.121 30 10 HDEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 1642329226 OEYKZLSLBTVTBL-SFHVURJKSA-N 414.531 1.986 30 10 HDEE Cn1c(=O)[nH]c(N2CCc3c(Br)ccc([N+](=O)[O-])c3C2)c(C#N)c1=O 1642683417 HCFJQNHNFQBRMF-UHFFFAOYSA-N 406.196 1.179 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1643590528 UTUUSXUSFAJMTG-DZGCQCFKSA-N 402.900 1.852 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C1CCOCC1)C1CC1 1644343144 DTLXRMASLCFOIY-LJQANCHMSA-N 405.520 1.827 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 1644582485 JQICTLKOEQOCPL-INIZCTEOSA-N 403.552 1.631 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@@H]1CCOC1 1645743926 VMMXUQIOMVPVAS-HOTGVXAUSA-N 421.519 1.159 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CO1 1646117183 JRANICDOAZHDEW-OAHLLOKOSA-N 409.464 1.140 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC[C@H]1N1CCC(O)CC1 1650739538 NIFTVJIOCRPIHR-VQTJNVASSA-N 410.522 1.644 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3[C@H](C)O)nnc12 1651154692 YNVZHQSZOPCIMU-DZGCQCFKSA-N 413.503 1.694 30 10 HDEE CCOC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1655034387 BNBCNWGPVLXGAF-LBPRGKRZSA-N 402.270 1.830 30 10 HDEE C#CCNC(=O)CCN1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1655131245 XKSBJKLNJDUYHQ-UHFFFAOYSA-N 410.515 1.831 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN([C@H](C(N)=O)c2ccc(C#N)cc2)CC1 1659719772 IFLVNNSCZOQHPJ-SFHVURJKSA-N 402.495 1.778 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1663202675 TYWGHRSGFUDIBZ-MOPGFXCFSA-N 420.531 1.871 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1Br 1664378403 BUDPWCNPGFUZJK-GXFFZTMASA-N 404.286 1.732 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)Cc1cc(F)ccc1Br 1668199476 INFDFDQBVZPFGK-UHFFFAOYSA-N 400.291 1.608 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3cc(F)c(C)cc3s2)CC1 1670961822 JSSHZDUKDABWSI-UHFFFAOYSA-N 411.484 1.361 30 10 HDEE C=CCN(C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)[C@@H](C)COC 1675466160 BOSTXTPWPQBEBV-ZDUSSCGKSA-N 417.466 1.234 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1677791339 MKQGUGJOUDWMSJ-QZTJIDSGSA-N 405.520 1.699 30 10 HDEE C[C@H]1CC[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CS1(=O)=O 1682385374 WOYNLQMHBKQYMZ-KXBFYZLASA-N 404.536 1.788 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@@H]3CCN(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1683770859 ZVDKMKHEYRLOOH-DOXZYTNZSA-N 422.938 1.746 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCc1nnc2c(=O)n(C)ccn12 1684162736 BLKCYUZZNADZDG-UHFFFAOYSA-N 407.478 1.710 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1686920010 RABGZHZMPCUHDT-KBPBESRZSA-N 400.298 1.457 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689990242 NDXDYKLTJZINQG-IAGOWNOFSA-N 415.519 1.160 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1 1690001638 ORIJDKYXDPYNHG-GOSISDBHSA-N 413.547 1.821 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCSC)CC1 1690146805 XFIGAURPHVGTAL-QGZVFWFLSA-N 405.568 1.891 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2ccco2)C1 1690156596 ZCOSFNAPKAEYEX-HUUCEWRRSA-N 423.564 1.842 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1690246575 VQXFRNMZKWEUPM-OAGGEKHMSA-N 410.540 1.387 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1690266079 ZUPJLEOFENNUDH-INIZCTEOSA-N 424.527 1.358 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](CC)C1 1690675357 YEVTXESRTFWSFW-CQSZACIVSA-N 418.523 1.187 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)F)C1 1690723607 WSKRWTPMCIFOMA-STQMWFEESA-N 417.482 1.312 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1690733856 OUFTVMHSACXAGV-UHFFFAOYSA-N 423.587 1.577 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1692588035 YDCUFKNAGNCQLT-DUXKGJEZSA-N 419.526 1.864 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1696867771 HOWRPADNIXSGGC-OXQOHEQNSA-N 401.490 1.572 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)OC 1697756930 IDSYWWYCCRDUCF-FUHWJXTLSA-N 412.494 1.570 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOC1=O 1698136224 VESAUVFKWMOLRN-RDTXWAMCSA-N 410.450 1.286 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1698227794 MNXOOWKZHKCXTA-OBJOEFQTSA-N 418.420 1.419 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1705477620 QKIRATWNHGXNPK-JKSUJKDBSA-N 417.535 1.959 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705508749 TZRHBHYGSYBONT-OAHLLOKOSA-N 401.471 1.489 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705538255 HVHIFSOZZYQUMY-AWEZNQCLSA-N 400.508 1.350 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705540030 LDARGWBDLDCAGL-QGZVFWFLSA-N 406.490 1.637 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1705834777 RXARSDRXSTTWBA-OWCLPIDISA-N 414.576 1.010 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1709182912 DEDFJENOMHWGAC-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1710094746 HGUYDVCADMOXGJ-UHFFFAOYSA-N 402.466 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1722282678 BKBNWFISEFXESQ-ZDUSSCGKSA-N 418.479 1.412 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1722316328 HHKDGHKDKAFCON-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC(F)(F)F 1722390482 RIMPIZGUGDTABF-CYBMUJFWSA-N 405.446 1.694 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1CCCO[C@@H](C)C1 1722429300 PMOWRMCUNLZQKU-RBUKOAKNSA-N 405.543 1.369 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1722430972 LOTWCSDUHGUGAT-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C)n(C)c2=O)CC1 1722435393 HZTYDMTXIZDJBD-UHFFFAOYSA-N 402.502 1.756 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)C(C)C)CC1 1722442502 UGBDAQLOXAODHI-UHFFFAOYSA-N 424.549 1.693 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1722628822 HOUJEXDNTBZVTA-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722682591 UTMWQZQPROUMOW-HIFRSBDPSA-N 404.540 1.940 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OCC)CC1 1722696841 SXDQJPASDLSLQQ-UHFFFAOYSA-N 416.457 1.665 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(O)c1 1723932244 AWVHWSSAKXVKRB-PXAZEXFGSA-N 408.459 1.084 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)COCCO2)C1 1724015619 PEFZYRXDBRZUIJ-WOJBJXKFSA-N 402.499 1.336 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1)OC 1730466035 JQGUVYVKTLBWPI-XOBRGWDASA-N 416.482 1.797 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1730874290 INLGMURKSOZBHD-WJFTUGDTSA-N 420.558 1.851 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 1731179877 AMHAPHCRKCPVDJ-HNNXBMFYSA-N 407.446 1.810 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1740615139 SJEXJOZUAPEEAN-IAGOWNOFSA-N 401.515 1.440 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740643694 QVGSUUFNNOAQOS-QGZVFWFLSA-N 417.560 1.427 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCN(C)C1 1740643751 SCIZJTOMCPFCQX-QHCPKHFHSA-N 402.502 1.490 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)cc(OC)c1 1740678327 JNJVNJNRDLQLIM-UHFFFAOYSA-N 415.469 1.796 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740863588 BFGUNCGICJOXKN-DOTOQJQBSA-N 409.556 1.594 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740951372 WWEWVBBGLBTALC-KNBMTAEXSA-N 402.499 1.674 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1740980960 NDEOFPRJVSZLSJ-ZWKOTPCHSA-N 424.567 1.778 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1740995201 DFHPTAYLBRFPAR-INIZCTEOSA-N 406.556 1.538 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1747457162 PUODVTAQVFZLTL-LJAQVGFWSA-N 412.519 1.396 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)F 1748686736 VONLGGZYDGPFLJ-CYBMUJFWSA-N 407.421 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1748888342 UCDNSJQHVITTLE-GOSISDBHSA-N 410.522 1.483 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749038085 OFJRVUFXIUAOES-YYIAUSFCSA-N 424.592 1.265 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CCCS(C)(=O)=O 1749096008 DNUAHEUIFWDMGQ-UHFFFAOYSA-N 417.333 1.458 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1C 1749546791 DXSFIKQJAVLQCQ-INIZCTEOSA-N 410.457 1.738 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749677080 MMVUPGLKXBUGIX-HOCLYGCPSA-N 405.524 1.473 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C(N)=O)cc1 1750118056 KQOVGRUKJBZUKF-WBAXXEDZSA-N 412.494 1.745 30 10 HDEE N#CC1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750385623 UBCYYZSODWRJRJ-CZIZESTLSA-N 418.461 1.606 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1760158630 OVDHUZDMAMRMIS-UHFFFAOYSA-N 400.458 1.871 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(C)c1 1760209681 GOUYSCCPJYJISY-OAHLLOKOSA-N 405.549 1.769 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1nncn1-c1ccccc1 1760217199 SUKFKWDVCMAPJU-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCC[C@H]2C)CC1 1760273112 IRXXABVBDUQUHT-IEBWSBKVSA-N 414.554 1.580 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(C)(=O)=O 1760330498 FLEAPMIBXPLDQL-UHFFFAOYSA-N 408.484 1.805 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760348598 DKMHNJZJNRNONE-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1760352789 YEVBEJPNMYWRRL-MAUKXSAKSA-N 410.544 1.611 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760357003 BMBQCOVTDNMKNV-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1760490071 OZZUTASCZBWGBW-RBUKOAKNSA-N 416.570 1.807 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nnc2n1CCCCC2 1760502943 RWYFSGMBOBKHBD-UHFFFAOYSA-N 409.498 1.740 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760509734 DOBNHVLXRTWAIH-QGZVFWFLSA-N 400.527 1.890 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760566498 VMOPEFBFCWTGCQ-IAGOWNOFSA-N 404.540 1.803 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1760687273 IBAJJPZDVLMSTO-MRXNPFEDSA-N 415.542 1.949 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)C1 1761131012 AXZNCOYIRAJZPT-ZWKOTPCHSA-N 415.542 1.326 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)[C@H]2C)n1Cc1ccc(C#N)o1 1761506185 WUWKWRAYWHAPDP-XQQFMLRXSA-N 424.552 1.731 30 10 HDEE CCCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1764414907 ZEMCRLTVWFQLHV-UZLBHIALSA-N 403.506 1.793 30 10 HDEE CCOCc1nnc(N2CCC(N3CCCNC3=O)CC2)n1Cc1ccc(C#N)o1 1767843592 OWDPOACWXDMSDZ-UHFFFAOYSA-N 413.482 1.712 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CN(c2nccnc2C#N)C1 1849624175 RXZFLEOAOWKURM-CYBMUJFWSA-N 410.865 1.702 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)CCN2C(=O)CCCC2=O)C[C@@H]1c1ccccc1Cl 1849904465 XAAHFVUXKDJSAJ-HIFRSBDPSA-N 409.895 1.748 30 10 HDEE C=CCN(C(=O)CN1CCn2cnc(-c3ccccc3)c2C1=O)[C@@H]1CCN(C)C1=O 1850382375 VTEJCPKOOCBEAB-QGZVFWFLSA-N 407.474 1.251 30 10 HDEE N#CCc1ccc(C(=O)OC[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)nc1 1851772816 CXICVXOZQJINLF-LJQANCHMSA-N 413.499 1.646 30 10 HDEE COc1ccc(-n2nc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)nc2C)cc1 1852625486 WTYSPUHCMYPVNM-QGZVFWFLSA-N 406.402 1.828 30 10 HDEE CN1O[C@@H](CC(=O)NCC#CCN2CCOCC2)N(c2ccc(Cl)cc2)C1=O 1852791491 XNMMNTNNUQASGJ-SFHVURJKSA-N 406.870 1.311 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)cc1 1852809189 YTBPYKLYVUOQEF-HNNXBMFYSA-N 422.489 1.634 30 10 HDEE CN(C[C@@H]1CCCCO1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1853971315 HIPGKOGCHLPCNO-HNNXBMFYSA-N 405.476 1.596 30 10 HDEE CC(C)n1cc(CN(C)[C@H]2CCN([C@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065087 IAUBHZUXSKELHK-OALUTQOASA-N 400.527 1.791 30 10 HDEE Cc1nnc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)o1 1854244272 NGWGLPJKUBDJKK-SFHVURJKSA-N 408.462 1.117 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)C1 1854287577 YJZAANJONMBBJV-JSGCOSHPSA-N 414.359 1.824 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCC(c4cccc(C)n4)CC3)C2=O)CC1=O 1854928920 TTYMTPHCEFKYPT-QUCCMNQESA-N 410.518 1.731 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)C1 1854940602 FTCFOJJXDGMCND-RTBURBONSA-N 413.522 1.066 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)Cn4cncn4)C3)CC2)cc1 1856621181 JFYFSSPNMCITDN-QGZVFWFLSA-N 408.462 1.068 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC[C@H](Cc3nc(-c4ccncc4)no3)C2)C1=O 1856909023 UHXYFUIYKUQBLW-WBVHZDCISA-N 408.462 1.817 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)C3CC4(C3)CC(F)(F)C4)C2=O)C1 1857107717 XJOCYTOWKNVAMT-INIZCTEOSA-N 416.428 1.969 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1857206725 GXYQOOWXYIQUEC-DOTOQJQBSA-N 411.506 1.682 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857221556 QVJOSXFCAKNGAZ-GOSISDBHSA-N 417.531 1.770 30 10 HDEE CN(C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858452660 HQDGFVBEUMFWBJ-UHFFFAOYSA-N 414.491 1.558 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 1858967886 CEKMINSQOWDLQT-UHFFFAOYSA-N 405.451 1.972 30 10 HDEE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2cccc(C#N)c2)cc(S(N)(=O)=O)c1 1867234786 KMKLLOYUYHHKGX-UHFFFAOYSA-N 400.460 1.661 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccc(F)cc4)cnc32)cc1 1870100388 CJXCVCCYRHNQJV-UHFFFAOYSA-N 403.377 1.686 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870538047 WVRGQEMWEZCJKB-IRXDYDNUSA-N 415.490 1.932 30 10 HDEE COCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)ccc1F 1874498931 HKVOOVMFJOITLK-YAXRCOADSA-N 402.249 1.786 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2CCOC 1875224091 VLFAKUBGOVCUTQ-UHFFFAOYSA-N 422.493 1.428 30 10 HDEE CN1CCN(c2ccc(N3CCN(C(=O)c4cc(C#N)ccc4F)CC3)nn2)CC1 1890102749 LPROABYEXPUUEN-UHFFFAOYSA-N 409.469 1.202 30 10 HDEE N#Cc1ncccc1OC1CN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1891636641 FQXZBBUOSBTXNY-UHFFFAOYSA-N 412.427 1.059 30 10 HDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NC(=O)C#CBr 1953340934 LBHSJRPFPNVFRD-UHFFFAOYSA-N 420.304 1.876 30 10 HDEE C#CCNC(=O)CNC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1962769223 YCWSWDDZOJQVNH-UHFFFAOYSA-N 417.465 1.923 30 10 HDEE C#C[C@]1(O)CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1963829354 MEIKHDUOMCUPSD-JTSKRJEESA-N 416.474 1.610 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2054406433 VQKXRGGGTUEYIT-ZIAGYGMSSA-N 420.413 1.524 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](NS(=O)(=O)N2CC[C@H](C#N)C2)(C(F)(F)F)C1 2174781509 GSJZEXJPJYUEEH-BXUZGUMPSA-N 412.434 1.608 30 10 HDEE C#CCN(C(=O)CN(CC(C)(C)C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180095656 VECSIQAXPFKZGG-HNNXBMFYSA-N 400.541 1.919 30 10 HDEE CO[C@@H](C)CCS(=O)(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186626677 DLYQTVZICSEHDJ-NWDGAFQWSA-N 404.363 1.848 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCOCC1 2243430009 LIJXOPRUFKRKAF-UHFFFAOYSA-N 408.304 1.811 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247823480 PILJYZKERBVHMF-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)n1 2247836768 IBWOWPDNEUEHCG-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248403135 BGWHMLOYOLVMDV-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE COC(=O)[C@@H](CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2250002805 PFMNGFJSWKECJT-CQSZACIVSA-N 424.303 1.584 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CCS(=O)CC2)OC1(C)C 2267375381 GPEZUNFYVDCNKX-UHFFFAOYSA-N 405.372 1.237 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2270504824 YDXHDIOAMFVZKV-QGZVFWFLSA-N 422.503 1.710 30 10 HDEE C=CC[C@]1(CO)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272099295 DZENBWMQSPNXKP-UXHICEINSA-N 424.494 1.601 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282010065 TYODDENDUKMKPQ-GHMZBOCLSA-N 402.347 1.336 30 10 HDEE CCN1CCC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331380 MRGCBFZSVWGHQT-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)N(C)C 2282413384 DDBMZDUZAHQVMS-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2CC(CN)C2)OC1(C)C 2282490835 IVZHNWCDMJFPIA-UHFFFAOYSA-N 400.737 1.655 30 10 HDEE C[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494056 XAVJUOSLMPNOLP-ABAIWWIYSA-N 400.737 1.525 30 10 HDEE CC(C)(C)NC(=O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497431 PPSCVEWVRPHIGA-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CCN1CC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498385 COZYWGLWJLVTSP-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE C[S@](=O)C1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282510643 BMUADELEQNLVAO-VWLOTQADSA-N 419.761 1.391 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@H](C)CNC[C@H]1C 2282832797 CTJHJQQUYHQKEP-VXGBXAGGSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@H]4NCCC[C@H]43)cc2Cl)OC1(C)C 2282840377 MXLSSEWBKPWBGJ-JIMOISOXSA-N 418.777 1.729 30 10 HDEE C[C@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282852494 PZCLGUCAUYZFEB-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC1(C)CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282870816 XYCJMRQGHWIPIK-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@@H](C4OCCO4)C3)c(O)c2)OC1(C)C 2282873474 LVLXGKPXNQQPHU-CQSZACIVSA-N 403.284 1.917 30 10 HDEE CC(C)C[C@@H](N)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877705 VTULBKNGXQUMOR-CQSZACIVSA-N 402.391 1.840 30 10 HDEE C[C@@H](CCCC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284396095 SKDCSKPHCJFMGB-NSHDSACASA-N 403.331 1.969 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CC(=O)O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2284409862 OHJBDVREWXALRR-UHFFFAOYSA-N 401.315 1.641 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@](O)(C(=O)O)C3)c2Cl)OC1(C)C 2284428060 KWJGMGAQXQWUAF-MRXNPFEDSA-N 401.677 1.362 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C(CC)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 2296215419 ZKXCXXYTMOLFKN-QGZVFWFLSA-N 424.457 1.770 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)C(=NO)c3ccccc32)c1 2296476362 ZHUCTPJYMARPEL-UHFFFAOYSA-N 411.370 1.423 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)CC1=O 2329021186 BVJLVSWJECRFDI-CYBMUJFWSA-N 402.480 1.168 30 10 HDEE CC(C)Cc1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331444187 WCFYGJFCLPXJNK-UHFFFAOYSA-N 420.451 1.616 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C12CC(CNC(=O)OC(C)(C)C)(CO1)C2 2365209088 UPDPHHACANDMAT-YCMKEVRSSA-N 400.541 1.475 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H](F)C3=O)ccc2Cl)OC1(C)C 2365707589 OBZCPCLDXPJAMN-ZDUSSCGKSA-N 403.668 1.898 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367786433 ICMOBTXBTIYLSC-KFWWJZLASA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)NC[C@](C#CC1(S(C)(=O)=O)CCC1)(CF)OCC(=O)O 2367787177 JUJBXVDESLQJJO-INIZCTEOSA-N 407.460 1.291 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)COC1CN(C(=O)OC(C)(C)C)C1 2367793798 DXGUEHUWPDZJCR-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CO1 2367805107 YOGLIMVBLFMWIT-OWCLPIDISA-N 401.525 1.638 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367805341 ALVNBJPSNGBDAR-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367808435 CNSNFVKTQGRACT-BZUAXINKSA-N 400.541 1.306 30 10 HDEE C[C@H](C(=O)NCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 8531308 VOOKCJDPTXBOPL-OAHLLOKOSA-N 418.544 1.631 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 32274925 ULGLYBCCPWTTJT-UHFFFAOYSA-N 401.467 1.255 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Sc2ccc(NC(C)=O)cc2)CC1 55078407 LNLGJXSFJHRHQW-HNNXBMFYSA-N 404.536 1.572 30 10 HDEE O=C(CCS(=O)(=O)c1ccccc1)NCC#Cc1ccc(N2CCNC2=O)cc1 96351151 SSZOQDDMFFQFKN-UHFFFAOYSA-N 411.483 1.548 30 10 HDEE COC1=CC[C@@H]2C[C@@H]3O[C@H](OC)C[C@@H]4[C@](C)(O)[C@H](OC)[C@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 257396984 CMAMLOVJSUVTPI-CKFRZKMTSA-N 410.507 1.656 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Cl)ncc2Br)CC1 324141326 SAJVAKYXILTHDJ-UHFFFAOYSA-N 401.692 1.558 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 430417904 XTMZYLOOJVOIHF-CTNGQTDRSA-N 413.518 1.306 30 10 HDEE N#CCCC[C@@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 433015090 VGAXARVEKMDOQO-WOJBJXKFSA-N 418.563 1.342 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438081661 ZYEOBDJZVZLPCC-IEBWSBKVSA-N 418.519 1.555 30 10 HDEE N#Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1O 442859286 JOGLCHWKPIDOMA-UHFFFAOYSA-N 407.473 1.276 30 10 HDEE CC(C)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 446714955 PDTZOVHPVGOLFL-SFHVURJKSA-N 404.536 1.369 30 10 HDEE O=C1CN(S(=O)(=O)c2cccc(NCC#Cc3ccccc3Cl)c2)CCN1 447011757 WOSCBZOBTKFIDW-UHFFFAOYSA-N 403.891 1.924 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cn1 461751852 CZFLQHFJNPPZEC-UHFFFAOYSA-N 401.474 1.895 30 10 HDEE COCCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCC1 471095301 LLQHTOJDVVPLIJ-UHFFFAOYSA-N 405.520 1.988 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 508033939 XADMXGGMZXOKKR-GOSISDBHSA-N 418.432 1.817 30 10 HDEE N#Cc1cc(F)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c(F)c1 536193595 RUOBKAVVRPPXOU-UHFFFAOYSA-N 423.397 1.815 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)cc2C1=O 541501450 YCKUCFHVOXCGNG-SFHVURJKSA-N 404.426 1.789 30 10 HDEE COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546919858 XPMIAMKVRIVGJL-MRXNPFEDSA-N 409.490 1.970 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2cccc(C#N)n2)CC1 546922047 XBVZZGDAZPCNBT-GOSISDBHSA-N 422.508 1.952 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2CC)CC1 549083585 OWIUIFFLUZKWOU-UHFFFAOYSA-N 420.464 1.851 30 10 HDEE CCN(CC)CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 550241717 JJWWIPTYSNRXOF-WMZOPIPTSA-N 407.536 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(c2ncc(Br)c(OC(C)(C)C)n2)CC1 553262962 WSYJLSZVBASVRN-UHFFFAOYSA-N 412.332 1.841 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 558085768 ZBUSIKYADKYCJP-GOSISDBHSA-N 408.524 1.530 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 568653780 OZRACLHDDCJKDC-IAGOWNOFSA-N 421.567 1.595 30 10 HDEE COc1ccccc1N1CCN(C(=O)Cc2noc(-c3ccnc(C#N)c3)n2)CC1 572535100 IYTUUAOPOGKDCP-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1S(=O)(=O)NCC#N 573048739 RDJIJTOSTBLBAL-KRWDZBQOSA-N 415.519 1.862 30 10 HDEE COc1ccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1OC 585226840 CCOXQLMHJQTUSB-UHFFFAOYSA-N 424.461 1.337 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 604178846 HNXGPBNNEOVPQE-NRFANRHFSA-N 414.506 1.538 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609516762 MYMLPGVXUDEUSU-HUUCEWRRSA-N 403.439 1.485 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)c1 609794695 OFXDEZXECWWJGA-HNNXBMFYSA-N 417.487 1.567 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 610982377 AZAJFSZWHOUVKB-QQXKLLMISA-N 411.458 1.479 30 10 HDEE N#CCN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 611108368 SNGUMJDINXQTLP-UHFFFAOYSA-N 419.551 1.399 30 10 HDEE CN(CCN1CCCS1(=O)=O)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 674496264 UKYVMYZABSVFNO-UHFFFAOYSA-N 417.453 1.140 30 10 HDEE Cc1cc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)nc(C(C)C)n1 731902188 ZTUNXQZBWFZLHI-UHFFFAOYSA-N 400.508 1.754 30 10 HDEE COc1cc(C)c([C@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732449321 GZKJRHTVGPEGGW-UNQMGURYSA-N 402.451 1.899 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cn1 734601859 MZCNCBNYUGLGPK-HNNXBMFYSA-N 419.484 1.387 30 10 HDEE CCOC(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 753244342 BTYFMDZXYYAWRW-NVXWUHKLSA-N 414.462 1.857 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 756684202 GKNSMCBAYHZDCI-AMVIDYIJSA-N 420.491 1.108 30 10 HDEE C#CCCCC(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 759654506 RBQWKKDDMCHACU-UHFFFAOYSA-N 406.229 1.983 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccnc2)cc1 764909129 HNMFYCJLFNVEKJ-QJOMJCCJSA-N 415.475 1.263 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@]2(C1)OCc1ccccc12)c1cc[nH]n1 772586715 CSVNMYPJPSXHGD-OAQYLSRUSA-N 412.446 1.742 30 10 HDEE C#CCN(C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)[C@H]1CCS(=O)(=O)C1 774197210 VNUSYTUXXJEBHU-INIZCTEOSA-N 404.467 1.652 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)[C@@H]1CCS(=O)(=O)C1 776038779 JNRJOMZTFPCVDL-GFCCVEGCSA-N 420.459 1.682 30 10 HDEE CON=Cc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 785735383 YLYJNQJYFWYANE-UHFFFAOYSA-N 402.476 1.277 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)c1 787975980 WYDLWDQGGJNMOW-LBPRGKRZSA-N 411.455 1.622 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC([C@@H]3CCOC3)C2)cc1 791781480 GHYPINWNXYEOGK-DCKJRJMFSA-N 406.508 2.000 30 10 HDEE CN1C(=C2C(=N)N(C[C@@H]3CCCCN3S(C)(=O)=O)CC2=O)N(C)c2ccccc21 794715788 WGGIJFBTCMRTMA-AWEZNQCLSA-N 417.535 1.460 30 10 HDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1cc(C#N)ccn1 807275284 NKGBFNJNUNUOCJ-INIZCTEOSA-N 415.494 1.979 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)ccn1 856630218 VBJJLPTVJOQTLT-NRFANRHFSA-N 421.501 1.815 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 914679795 JBTVKRFQDBNXNZ-ZDUSSCGKSA-N 400.412 1.713 30 10 HDEE N#Cc1ccc(N2CC[C@@H](OC(=O)Cn3c(O)nc4ccccc4c3=O)C2=O)cc1 915403483 VMSGPBBNCKKFBF-QGZVFWFLSA-N 404.382 1.322 30 10 HDEE CCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C[C@H](C)C#N 920087263 GQUPGXDBWAPGQC-MOVXZBDNSA-N 404.536 1.613 30 10 HDEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1084369137 UKZJYCFMCKZHEA-UHFFFAOYSA-N 424.534 1.912 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1127366875 JJUHECZURSOTOX-UKRRQHHQSA-N 402.451 1.994 30 10 HDEE CSc1nc(O)c(C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1C#N 1130912315 QHIAKOOXXJKDPI-IYBDPMFKSA-N 422.466 1.638 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1132937927 OWOKTURWSLYRHS-HNNXBMFYSA-N 422.526 1.890 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)CCCCOc1cccc(C#N)c1 1133683234 PKLMXEUJNWFIEV-UHFFFAOYSA-N 401.510 1.281 30 10 HDEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1138133501 KWKZQGVDXYCSQN-DHZHZOJOSA-N 419.478 1.887 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1141926726 UIHSOHAZUGQGHJ-ZZEZOPTASA-N 420.416 1.334 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCc2nnc3n2CCCC3)c1 1153212270 QAYHMQPUUIOPPM-UHFFFAOYSA-N 400.504 1.774 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)CC1 1155857705 LEFSFJRCTWKPQY-UHFFFAOYSA-N 423.579 1.768 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)s1 1155932503 RRCGOAPCGOGUSD-KDOFPFPSSA-N 414.549 1.551 30 10 HDEE C[C@H](CC(=O)NC[C@](C)(O)c1cccc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1155954930 VBJGTLHANHPBBJ-XCLFUZPHSA-N 419.478 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CNc1ccc(C#N)cn1)CCO2 1157912989 DZCUHNQLAAYPME-UHFFFAOYSA-N 415.494 1.994 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)cc1 1159073596 JSFYDBMDUGHMFB-UYAOXDASSA-N 413.499 1.554 30 10 HDEE C=CC1(CC(=O)N2CC(CNC(=O)C(F)(F)F)C2)CN(C(=O)OC(C)(C)C)C1 1175388164 FBQSDKJCSDWNEB-UHFFFAOYSA-N 405.417 1.937 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCN3CCN(c4ccccn4)CC3)C2)nc1 1178460212 FAXRTXUGOVJUCU-FQEVSTJZSA-N 419.533 1.963 30 10 HDEE C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1CNC(=O)OC(C)(C)C 1179640191 DDCPCPLDEJTGJV-ZIAGYGMSSA-N 419.482 1.220 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1225936681 GAXAVMYUBHCZTH-ROUUACIJSA-N 415.494 1.881 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 1233853436 QCADLJBACJUTLV-WUHRBBMRSA-N 406.405 1.558 30 10 HDEE C#C[C@H](NC(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1)C1CCOCC1 1253353821 BSXPJMPRYWLLOQ-IBGZPJMESA-N 405.520 1.651 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 1272894392 ZHFPIGBYXFSUNA-IBGZPJMESA-N 424.544 1.805 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286289004 IZOHZMBXMGRWJX-LHSJRXKWSA-N 407.478 1.118 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnn(C)c1C 1286409757 OUSDQUYFNVYYBH-HXUWFJFHSA-N 402.458 1.954 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1286443105 YQCTUFSAWVFAEO-UHFFFAOYSA-N 423.521 1.230 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(CO)c2)CC1 1286490373 RZGWDWCFCAHAHQ-UHFFFAOYSA-N 418.501 1.780 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286608234 NUCXVRPOMKETMG-IBGZPJMESA-N 423.521 1.968 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1286758427 NFNNSCJBWQIBIF-GJZGRUSLSA-N 407.540 1.273 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(OC)CCOC2)C1 1286811466 CDPKYUVQJSURDM-NQIIRXRSSA-N 416.526 1.727 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1=O 1287758293 AHKFPQSQZUGPPP-UHFFFAOYSA-N 409.494 1.210 30 10 HDEE Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1289609044 DIHOJMDRLPEKHY-RDCVWBNRSA-N 412.450 1.598 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 1296112679 HGQFHGGWMISOQN-ZBWUASRJSA-N 410.445 1.994 30 10 HDEE CC1=NS(=O)(=O)N(C)C=C1C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 1296487112 FTXCJGZNKAFTHK-UHFFFAOYSA-N 415.475 1.743 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc(N3CCOCC3)ncn2)C1=O 1297273396 KFMIGRHSUAIVLE-HXUWFJFHSA-N 418.498 1.629 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2=O)cc1 1298572560 MNNNWLAMRMPZEG-RBUKOAKNSA-N 424.432 1.622 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)C1 1298877481 GGHYITDAOFJLIH-KUHUBIRLSA-N 402.886 1.394 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C2 1300168174 IYNABPXGPKGSGC-QGZVFWFLSA-N 405.863 1.393 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1300482682 GNEPDNBWLKKBID-KRWDZBQOSA-N 404.540 1.693 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1300504404 NEVGMFNMCZQZBY-INIZCTEOSA-N 410.540 1.401 30 10 HDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301057703 VNYUNUQVMHSTJU-KBPBESRZSA-N 413.457 1.772 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1)C1CC1 1301322339 GYMAUXVWHXELIO-GOSISDBHSA-N 408.506 1.743 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1301987891 BDMRPJBNBBTGQP-RBSFLKMASA-N 421.523 1.943 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 1303412453 IZKMOMZJLHUTMW-ZFWWWQNUSA-N 404.410 1.828 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOc2ccccc2[C@H]1CO 1304007693 GCEQDYAVNURISH-RDTXWAMCSA-N 415.471 1.180 30 10 HDEE N#C[C@@]12CN(C(=O)NCC(F)(F)c3ccc(F)cc3F)C[C@H]1CS(=O)(=O)C2 1313244319 LXXRUUIOCUWRQB-BONVTDFDSA-N 405.373 1.636 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 1358019393 YTJWHOUICPPGQV-UHFFFAOYSA-N 401.400 1.348 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1358905266 WDVXSFCLWPINTI-GVDBMIGSSA-N 409.556 1.697 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1358929475 ATGWYSOOAWVWAE-MRXNPFEDSA-N 404.540 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1358974022 OCOMCTJMWIGXBF-UHFFFAOYSA-N 424.472 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCN(C)C1 1358982477 YJTLAXDROBMNJM-QHCPKHFHSA-N 407.518 1.613 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CN(C)C2=O)CC1 1359168278 NSXXVQCNUKSQNN-FQEVSTJZSA-N 414.535 1.904 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1359237675 IIUQESQPJPTVFA-UHFFFAOYSA-N 415.523 1.692 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1359341259 QOFNDMSXOKVGPT-UHFFFAOYSA-N 405.528 1.876 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1359475420 KGDJYJBZTJNOCN-FZFLATATSA-N 420.477 1.386 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 1435745877 HAKDSHKRHHQEEO-LBPRGKRZSA-N 409.265 1.946 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H](O)[C@H]2C(=O)OC)cc1OC 1447745536 XNTLDNBCOAWQKN-UZLBHIALSA-N 422.478 1.750 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1455968096 WGFNHRCRJJLISD-BLLLJJGKSA-N 410.920 1.342 30 10 HDEE C=CCC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1456139006 CFCCIBUBFPARKB-SFHVURJKSA-N 415.538 1.771 30 10 HDEE CN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)c1cccc(C#N)c1 1460356389 PJCIIFWTBHCRRW-LJQANCHMSA-N 416.522 1.993 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2C(=O)CCC2=O)cc1 1463405960 FENVVDAOELIKNY-UHFFFAOYSA-N 412.427 1.017 30 10 HDEE C=CCN(C(=O)c1cc(OC)cc(Br)c1N)[C@H]1CCS(=O)(=O)C1 1464404682 XSPMJIQGLHAAGH-JTQLQIEISA-N 403.298 1.855 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2F)CC1 1465102276 ZXFBARPAHSWNKV-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE C=CC1(CC(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1466317689 NKJBRNRJQOOJRH-HUUCEWRRSA-N 424.494 1.753 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(Cl)ccc2N2CCOCC2)c(=O)nc1O 1467539464 OMQWLVYHWLRRBW-UHFFFAOYSA-N 417.853 1.017 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1467577114 YNLSKRIITLPPME-UHFFFAOYSA-N 418.837 1.852 30 10 HDEE CN(CC(=O)N1CCCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1470545620 JEVCJEUYOFXCQW-UHFFFAOYSA-N 405.296 1.838 30 10 HDEE CC1(C)C[S@@](=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1473387839 CTWMJNNWFWJDLV-JMQGSBJISA-N 406.527 1.377 30 10 HDEE CCOC(=O)c1ccc(N2CC(NS(=O)(=O)c3c(C)cc(F)cc3C#N)C2)nc1 1475185586 CRQONHUMUDMLNS-UHFFFAOYSA-N 418.450 1.745 30 10 HDEE CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cn1 1501258493 BDBIQMKWAHVLRK-HZPDHXFCSA-N 411.466 1.190 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1503704147 DXROLEFOPIFOIW-HNAYVOBHSA-N 409.538 1.975 30 10 HDEE COCC[C@](C)(O)Cn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1504750394 GAMKAPFPAPGODS-FQEVSTJZSA-N 415.498 1.438 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCc2nccn2C1 1504888197 KZBXYEWWIXNRLV-HZPDHXFCSA-N 412.498 1.055 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1505323195 DLPWGFBOVFMAHF-SFHVURJKSA-N 410.478 1.485 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507582194 DJCQKZUJAZRZQZ-KRWDZBQOSA-N 410.526 1.185 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCSCC1 1507660656 CIIOEXGWXOAVNE-OAQYLSRUSA-N 417.579 1.442 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507689743 QHECIHWZCXCSDH-UHFFFAOYSA-N 415.498 1.432 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)OC 1507701247 ASYXJPXTOCHOBS-WBVHZDCISA-N 420.510 1.994 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)s1 1507701715 AFIMJFVEJBCWLC-CQSZACIVSA-N 411.553 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CC 1507702956 PGHRCVDCPMOMSD-KRWDZBQOSA-N 411.510 1.496 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1507752795 FZTDSJDNPWJNQB-GOSISDBHSA-N 416.595 1.832 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1507943832 MHLAWDCQUCPVGZ-INIZCTEOSA-N 410.588 1.919 30 10 HDEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1507970915 NENIERBURWWFSV-UHFFFAOYSA-N 400.508 1.973 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1507973767 NDNHMRHGFZWXRF-INIZCTEOSA-N 407.482 1.458 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1 1508013862 SGGMUSVKJDUVMP-UHFFFAOYSA-N 402.466 1.881 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1508092138 ADWMQDZLVTWUGO-UHFFFAOYSA-N 418.542 1.346 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508139549 CSWBBLQXBNJONS-MRXNPFEDSA-N 418.567 1.949 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncn(C)n1 1513033579 ZAWABJRPVQIUHG-OAHLLOKOSA-N 406.498 1.562 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1527797677 LFHHUQLWNIGZHI-OAHLLOKOSA-N 416.544 1.361 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1532593532 IZGDVZFEPNNWNV-OAGGEKHMSA-N 419.444 1.532 30 10 HDEE CC(=O)N[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)C 1534147246 UNLKVZBCMUDIDX-YQPBSLOJSA-N 408.524 1.989 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)C(=O)OCC 1537003693 KAFCHHKEFRYGRD-AWEZNQCLSA-N 409.487 1.821 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1C(=O)OC 1537797777 VMWUKQGODYXFIB-GJZGRUSLSA-N 405.476 1.391 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O 1538982829 JUARZRSFDAXBGX-CQSZACIVSA-N 406.508 1.855 30 10 HDEE N#CC1(CC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)CC1 1539199368 MPIPZIKRUQLLFF-CQSZACIVSA-N 409.227 1.985 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1539417401 GGNWUXFYVISZBU-IBGZPJMESA-N 410.522 1.608 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)c2ccco2)CC1 1539477422 LXIQLWJBKKICNY-UHFFFAOYSA-N 410.478 1.144 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1nnc2n1CCC2 1539533851 WGWCZCHSCXBJOT-OAQYLSRUSA-N 410.526 1.775 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)CC 1539542427 ZCFJNOJTEBTLSU-RTWAWAEBSA-N 403.527 1.789 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539710345 PQXXHWIDBHYFJD-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1539916791 NWCVPAZYNQCQFY-LSDHHAIUSA-N 409.556 1.484 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1540036902 WYOQOWCSXHGNTN-IAGOWNOFSA-N 412.556 1.634 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCOCC1 1541108083 RNYZSDNMGJZGFL-AWEZNQCLSA-N 400.439 1.991 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(N(C)C)nc1 1543308666 HTEGQNGXNZVNID-UHFFFAOYSA-N 403.494 1.689 30 10 HDEE C[C@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1543651618 HXZWWNJEKRTSKD-DOTOQJQBSA-N 415.519 1.867 30 10 HDEE CCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547148649 WLIISOYWYZSGAL-INIZCTEOSA-N 416.530 1.652 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CCO1 1555388421 FYBBVPFBGHFFIA-GOSISDBHSA-N 412.494 1.583 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CC#N 1555687653 SYWSULTZQIXAJC-HNNXBMFYSA-N 408.466 1.942 30 10 HDEE CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457311 BRMCZQQJYACWDF-UXHICEINSA-N 407.470 1.994 30 10 HDEE C=CCOCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1563967503 NQUBFERGJJMLKD-QGZVFWFLSA-N 404.515 1.174 30 10 HDEE CO[C@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CCOC1 1565052364 JDYCAGHQDOTGIN-OXQOHEQNSA-N 409.490 1.990 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)C1 1565345783 YDGNMZDGSQOXKA-FQEVSTJZSA-N 422.533 1.970 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2[C@H]2CCCCC2=O)c1 1566709904 FFMDNKVELQJWQY-RHSMWYFYSA-N 408.451 1.723 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1583087464 IRXUYDSTQUQXSZ-HRAATJIYSA-N 415.494 1.362 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 1583820729 KACBOWXGHYXCBQ-JOCHJYFZSA-N 413.474 1.566 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc(OC)c1OC 1583893761 NUOXAJZKRUVOHO-QWHCGFSZSA-N 409.439 1.279 30 10 HDEE C[C@H](CN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1585417589 CNZDUFRVOBZVEI-KYMGHPBBSA-N 419.570 1.525 30 10 HDEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1586440216 YGYYKPWSYBFVSA-UHFFFAOYSA-N 408.520 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1587638072 BELVGLSLWLQZPK-IUODEOHRSA-N 407.565 1.954 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1587755328 YTJHQKUYEKJSIM-OAHLLOKOSA-N 412.494 1.901 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1587921660 FEDNYMMSNDMYSH-OAQYLSRUSA-N 419.526 1.867 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1588075166 ZNTSKTHLJMNURR-BBWFWOEESA-N 408.524 1.205 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1588224338 WQTWBENZWDPRNQ-SFHVURJKSA-N 410.522 1.531 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1588385248 GUIOYWZUQRVCEG-MRXNPFEDSA-N 402.524 1.537 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588387471 URMUHHOEAJFHIU-HOTGVXAUSA-N 415.460 1.895 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588638019 MNJABOUZMNJXKH-WWMYMODYSA-N 417.510 1.043 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)nc1 1588673344 ORDATASPAINRJU-UHFFFAOYSA-N 410.522 1.597 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1594236774 IOLIMFJMBSDQBA-GMBSWORKSA-N 410.540 1.123 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1595195879 CFACXNORPMPCKO-HXUWFJFHSA-N 402.520 1.982 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1c2ccccc2OC[C@H]1CO 1606720096 IZVLCTSQFKFPPV-ZXYWRSMDSA-N 415.471 1.083 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)cc1C 1612144385 GTCKSWPSFPXQRC-QGZVFWFLSA-N 408.466 1.380 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1614028875 RVBLWBVRAZACDX-UHFFFAOYSA-N 406.450 1.174 30 10 HDEE CO[C@]1(C(=O)Nc2ccc(C#N)cc2I)CCS(=O)(=O)C1 1616833368 GSJPBIKENRCNPT-CYBMUJFWSA-N 420.228 1.305 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cn3c(n2)SCC3)s1 1616920222 YGXMWEVOKVSITJ-UHFFFAOYSA-N 412.562 1.416 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1617347963 BXVOOZIAJDVESX-LPHOPBHVSA-N 424.571 1.584 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cc(OC)c(OC)cc1C)c1cc[nH]n1 1618737704 CFOSHVMJDIINBH-UHFFFAOYSA-N 418.450 1.678 30 10 HDEE COCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1620075155 YBFABUFPCDXONR-UHFFFAOYSA-N 412.494 1.685 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2cccc(Cl)c2Cl)CC1 1623498775 DBMUEMRTPITCFN-UHFFFAOYSA-N 404.244 1.979 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2n[nH]c(C)c2I)c1 1625178908 HANDKIURWJRFMJ-UHFFFAOYSA-N 408.199 1.673 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1CC(=O)OCC)c1cc[nH]n1 1626072009 ZELOGILYQVJFNS-UHFFFAOYSA-N 402.407 1.438 30 10 HDEE COC(=O)C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1630200305 LLTSWFTYBWOACU-AQZMIJIOSA-N 421.494 1.564 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1 1631432864 CGOOVJSLLCWMSR-LJQANCHMSA-N 406.504 1.157 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1632027787 GJPRUKNAPFRHQP-HXUWFJFHSA-N 418.563 1.378 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(CO)C[C@@H](OCC)C2(C)C)s1 1633086527 DULUGTQCNBALLT-RDTXWAMCSA-N 416.565 1.437 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1638856985 RGFNUVYTJSOISL-MRXNPFEDSA-N 405.520 1.319 30 10 HDEE Cc1nc(CC2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)no1 1638942528 FFMINYBLPHJWMR-UHFFFAOYSA-N 417.491 1.583 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2[C@H]3c4ccc(Br)cc4C[C@H]32)c(=O)nc1O 1641033790 IDNITRDAHAEWLX-QLFBSQMISA-N 415.247 1.285 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1C1OCCO1 1648049267 KPGVWNBQMONFLK-INIZCTEOSA-N 421.519 1.649 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(C)(C)C 1648370047 PHEWZGFDQRTJDQ-UHFFFAOYSA-N 419.547 1.456 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccccc2OC(F)(F)F)CC1 1650846233 OIUADDOOMJXOHN-UHFFFAOYSA-N 419.425 1.130 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1651801757 IQZVRRODCSILQN-NSHDSACASA-N 420.354 1.003 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccnc(N(C)C)c2C1 1653817117 GVEKCMGTXMGBAV-CQSZACIVSA-N 413.503 1.271 30 10 HDEE CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCO[C@](C)(C#N)C1 1654932310 DCPOHXDNBIBJNJ-QGZVFWFLSA-N 400.522 1.258 30 10 HDEE COc1cc(OC)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Cl 1655683474 DAUMWKVTZMYRIQ-GTNSWQLSSA-N 413.883 1.166 30 10 HDEE C=CCOc1c(Cl)cc(CN2CCC(NS(=O)(=O)NC)CC2)cc1OC 1659066423 LZMPDZIKQQRACA-UHFFFAOYSA-N 403.932 1.932 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN([C@@H](C(N)=O)c2ccc(C#N)cc2)CC1 1659719771 IFLVNNSCZOQHPJ-GOSISDBHSA-N 402.495 1.778 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)C2(C(=O)OCC)CCOCC2)c1 1660421132 BQVAGYHRFNIPJG-OAHLLOKOSA-N 401.463 1.654 30 10 HDEE N#CCOc1cccc(CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c1 1661517503 GFYJVJBLOWBEAV-UHFFFAOYSA-N 415.471 1.725 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 1676030412 CTEJDXSFPYFIJU-QGZVFWFLSA-N 417.941 1.703 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)nc1 1683846905 MQPKGSKTJDSAMC-CYBMUJFWSA-N 419.429 1.516 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2cc(F)ccc2OC)CC1 1684258310 WEYADUKGNCHVGF-INIZCTEOSA-N 412.487 1.080 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1684426468 YEDQTUJMDLHXQR-GOSISDBHSA-N 405.520 1.230 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689843211 QZQHTYRLBSBDDG-SJLPKXTDSA-N 406.490 1.770 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)(F)F 1689942841 DUJASPQDBURCNM-UHFFFAOYSA-N 410.400 1.870 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689979764 GUXQHNJAAAMEME-HNNXBMFYSA-N 407.496 1.211 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1690059388 PDEGUXIXRODIPB-DNVCBOLYSA-N 411.572 1.679 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690467287 RSPJHFFBUCALMY-INIZCTEOSA-N 401.515 1.313 30 10 HDEE C=CCCOCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1690511943 GTNJJIVXECLTCH-RXVVDRJESA-N 421.542 1.044 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1690721119 YDACRAPCRVMDSF-FQEVSTJZSA-N 417.535 1.556 30 10 HDEE CCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)cn1 1695785441 AUEIFDCAESWWRL-QGZVFWFLSA-N 408.422 1.847 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1696655922 BWNSIBDZVMCCHG-UHFFFAOYSA-N 407.482 1.344 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1705492414 QFESNIYPKAMCJC-BZSNNMDCSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705517046 NQZPSXHGCIUOIM-DLBZAZTESA-N 409.556 1.351 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CC=CCO2)CC1 1705634703 GKWUEUVHIXTKFV-WIYYLYMNSA-N 401.511 1.031 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1705834897 VLJKAFFOZFVVEP-CQSZACIVSA-N 421.523 1.720 30 10 HDEE C=CCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893305 BPAMJUIPWXTUCZ-MOPGFXCFSA-N 410.540 1.520 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccs2)C1 1705916730 RBZFLPAIVWVUHV-OLZOCXBDSA-N 412.541 1.174 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1705922272 JNYUIQRMYQVNFF-GJZGRUSLSA-N 414.466 1.034 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1706956074 QLBSJQLSOUTAIL-OXJNMPFZSA-N 406.506 1.725 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1707550663 DRRLAVKUFOBCHN-GOSISDBHSA-N 412.494 1.763 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1708190976 OAJVCHAUFIANIZ-PLGXQAJASA-N 407.478 1.959 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1 1722276678 JIHIEUZIHVFSAO-HZPDHXFCSA-N 405.524 1.815 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722315537 WXLNRLBQHUMVIE-RTBURBONSA-N 407.474 1.980 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(OC)CCOC1 1722425858 OOXPESXEAWBNJT-IBGZPJMESA-N 405.524 1.525 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCCCS(C)(=O)=O)CC1 1722435318 KLJGFFIXYLBKTG-UHFFFAOYSA-N 416.551 1.310 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(OC)CCOC2)CC1 1722446391 UWPJWWXIJUVBTE-JOCHJYFZSA-N 424.505 1.111 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OCC)CC1 1722726117 WCCPNKFOIHUZPX-HNNXBMFYSA-N 413.544 1.671 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1722739014 RSDPXCQHSJKTPX-MRXNPFEDSA-N 424.596 1.952 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCCCS(C)(=O)=O 1723583425 RBAIPBSJXGJKKA-UHFFFAOYSA-N 424.571 1.761 30 10 HDEE CCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1728612724 QTSCQAMUDAQQCT-QFPXGYFVSA-N 401.515 1.458 30 10 HDEE COC(=O)N1CCC(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1729787022 ADSKZEBDLUOQPV-INIZCTEOSA-N 413.482 1.491 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)no1 1740631283 SZHMMJLQQOXJMR-UHFFFAOYSA-N 409.471 1.766 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)no2)CC1 1740692649 NNTAPZSZPAEDBH-OAQYLSRUSA-N 414.510 1.419 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1740716397 QMOGVHLJRHDBAU-MRXNPFEDSA-N 411.535 1.317 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740788913 ZBGGYCPPMZHXPJ-OAHLLOKOSA-N 410.544 1.611 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)N(C)C)CC1 1740832760 HVAJLKFQKJGWRW-AWEZNQCLSA-N 412.560 1.159 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740962827 PWFYRABCCUFXCQ-YWZLYKJASA-N 417.535 1.617 30 10 HDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1741690027 BUCGTTNBQWTBBK-INIZCTEOSA-N 412.494 1.869 30 10 HDEE CCN(CC)CCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C#N)C1 1746186473 NPTOJAHIZGHTDE-QGZVFWFLSA-N 402.499 1.934 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1)[C@H]1CCOC1 1747660076 HRRVXXKUDIIHHG-KRWDZBQOSA-N 424.505 2.000 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748756273 IHTLVENLSBPBAT-UHFFFAOYSA-N 402.524 1.149 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCCS1(=O)=O 1748776752 OXZBADUIPCHBSU-MRXNPFEDSA-N 403.464 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1748840461 BFGQTAZVUISZEZ-QHCPKHFHSA-N 415.501 1.270 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1749193866 RUNLOBHLDAWQEE-HNNXBMFYSA-N 417.539 1.627 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 1749285538 NWMAGVKJCPYGPR-UHFFFAOYSA-N 407.540 1.495 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2conc2COC)CC1 1749286053 DHJBATFADMBVAO-ZDUSSCGKSA-N 410.500 1.227 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749459913 VTJBUQDYMZEMRP-RBUKOAKNSA-N 410.522 1.914 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1749682904 CMRRCNMIURJCIK-GOSISDBHSA-N 410.478 1.758 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1F 1750077889 BLSOKAYSELDKEZ-CQSZACIVSA-N 401.446 1.609 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCn1cc(Cl)cn1 1751193413 BBNGDEMIRFNDSC-RYUDHWBXSA-N 414.923 1.177 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760136590 AJWZBXFRIMVYAT-SJLPKXTDSA-N 416.551 1.160 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760161448 JXWRREIXHDAWQS-GOSISDBHSA-N 402.543 1.232 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)F 1760224212 BUCAAUVZOMDBKK-UHFFFAOYSA-N 406.437 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](COC)OC)CC1 1760263525 FNLJWFBEPKTCHX-IPMKNSEASA-N 419.570 1.613 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnn1 1760298902 ZOEUQTKBMCYDJD-HXUWFJFHSA-N 424.534 1.944 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1760307259 OKVFTPVPMGHBNB-OLZOCXBDSA-N 421.303 1.571 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760323419 CYGPTQKTSYYYSG-WWNBULGVSA-N 403.527 1.589 30 10 HDEE C=CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OCC)CCOC1 1760568604 NKUNMOFRXMHTJY-LJQANCHMSA-N 419.555 1.770 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1761548495 TZTBSQAGIPPTFY-HZPDHXFCSA-N 422.555 1.684 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1769454371 WTZKJLDJDYNTNK-WBVHZDCISA-N 423.477 1.278 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOC1=O 1770201868 FTGGHKMXXMHPMX-YZVOILCLSA-N 422.461 1.286 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCOCC(F)F)CCN1C1CC1 1770746563 BPTGNWVNHQMZBF-HZPDHXFCSA-N 410.469 1.978 30 10 HDEE CCOc1ccc([C@@H]2Cn3nnc(C(=O)N4CCO[C@H](C#N)C4)c3CO2)cc1Cl 1848505149 ZCOWZHDLBWOXDW-DYVFJYSZSA-N 417.853 1.966 30 10 HDEE COc1cccc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 1850195218 MYPWBJJJIMFPGP-GOSISDBHSA-N 417.487 1.621 30 10 HDEE CCn1nc2c(c1C(=O)Nc1nc(N3CCN(C)CC3)c(C#N)cc1C#N)CCC2 1851156041 WFZMUPWMSBPMPE-UHFFFAOYSA-N 404.478 1.534 30 10 HDEE C[C@H]1Oc2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2NC1=O 1851938709 WDGXKEDFMGRZFD-OAHLLOKOSA-N 421.457 1.652 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N2CC(F)(F)C2)cc1 1851986547 YFYGWNYWXNPSQA-KRWDZBQOSA-N 405.426 1.925 30 10 HDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1852162774 ADALJXKGNSGYNJ-OALUTQOASA-N 405.458 1.546 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)c1ncc(Cl)cc1Cl)[C@H]1CCN(C)C1=O 1852209447 ZESJIPLFERRZPM-LBPRGKRZSA-N 406.291 1.407 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(C)c4)n3[nH]2)CC1=O 1852237260 LNVZRTYASVYVIZ-HZPDHXFCSA-N 420.473 1.968 30 10 HDEE Cc1nc(C(=O)OCCO[C@@H]2CCS(=O)(=O)C2)c(C#N)c(C)c1Br 1852314755 QPEZPXYMVPZJGS-LLVKDONJSA-N 417.281 1.693 30 10 HDEE Cc1cccc(C)c1N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=S)N=CN(C)C 1852490096 QGIVHXLFRGMMDI-HNNXBMFYSA-N 410.565 1.935 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CCC(=O)N(CCCC)[C@H]1c1ccccc1 1853085223 LANHNQHTFHUOHW-QUCCMNQESA-N 404.532 1.931 30 10 HDEE CC(C)N([C@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1853756031 MLTFOEOEJRRXBB-MOPGFXCFSA-N 417.531 1.516 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](N2CCC(C#N)CC2)C1=O)n1nnc2ccccc2c1=O 1853765121 DQQHRTISRJYJME-KBXCAEBGSA-N 408.462 1.106 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2cccc(OC)c2OC)C1=O 1854167997 XHLCRTWIHVLFEW-IRXDYDNUSA-N 415.490 1.093 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(Cc4ccncc4)C3)CC2=O)cc1 1854231368 WCHQHVPIZMTOKX-NRFANRHFSA-N 403.486 1.441 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)C1 1854940600 FTCFOJJXDGMCND-OALUTQOASA-N 413.522 1.066 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)CCn3ccnc3)C2=O)C1 1854963736 HYYSXNPANWBITL-GOSISDBHSA-N 408.462 1.211 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CN(c3ncc(F)cn3)C2)C1 1855375302 LLURVINXIBKCNA-YJBOKZPZSA-N 401.486 1.858 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCCOC2)CC1 1855845797 BONFMMBEKJJUEF-HNNXBMFYSA-N 417.487 1.453 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)C1(C)C 1856402724 ZPVOECHKDGDJPI-UHFFFAOYSA-N 407.536 1.966 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@H](N(C)CCC#N)C2=O)c1 1856552441 HUKUAYZJUZKZBM-ROUUACIJSA-N 418.519 1.121 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(CCC)on2)C1)[C@H]1CCN(C)C1=O 1857069370 XXBJAEDNEOLMDH-QAPCUYQASA-N 402.495 1.725 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(Cc3nnco3)c3ccccc32)CC1=O 1857318851 KVHDBPWWWJIQIX-CABCVRRESA-N 409.446 1.763 30 10 HDEE C[C@H]1CC(=O)N(C(=O)c2ccncc2F)c2ccccc2N1S(=O)(=O)CC#N 1857458207 FFBZISPHLYRWKN-LBPRGKRZSA-N 402.407 1.846 30 10 HDEE Cc1ncccc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857492947 ZYVKSGABQPRHPQ-MRXNPFEDSA-N 405.458 1.799 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861205037 YGQCFCWKCHYDDS-SJLPKXTDSA-N 420.941 1.605 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 1861315230 BTZYQJRDNHIBFT-AEFFLSMTSA-N 415.877 1.428 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862595991 KOXIAZBEIQZTQN-BMLIUANNSA-N 414.370 1.965 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(OC)c(OC)c2)C1=O 1863524429 YVBHQJLWTWBTNM-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE CN1CCC(=NC(=O)c2c[nH]c3c(I)cccc3c2=O)NC1=O 1866445770 HJABXUPHODAYLE-UHFFFAOYSA-N 424.198 1.717 30 10 HDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)cc(C(=O)NCC#N)[nH]c12 1866531023 RKNLEBWSIFCWCA-UHFFFAOYSA-N 400.435 1.415 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2Cc2ccccc2F)c1 1866913930 RJSVQYNBENQSFJ-VQTJNVASSA-N 410.449 1.778 30 10 HDEE N#Cc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1870097722 SXNLLLBAQJBGNA-UHFFFAOYSA-N 409.387 1.779 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541641 HGMPUTVBYTVAJV-UHFFFAOYSA-N 413.526 1.628 30 10 HDEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCC(CO)CC3)ncnc21 1873591316 GROLVOPISVYWRI-UHFFFAOYSA-N 401.511 1.982 30 10 HDEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873593956 YSDBGIWYKHCTBW-UHFFFAOYSA-N 421.505 1.451 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H](C)Oc1ccc(O)cc1 1873710522 IJKMYGNVNIPACS-ZDUSSCGKSA-N 417.487 1.941 30 10 HDEE COCc1nnc(SCC(=O)OC)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874501846 CLGXFYNWYHLVNQ-QGMBQPNBSA-N 410.452 1.598 30 10 HDEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCCN3CCC(C#N)CC3)n2)cc1 1889958388 YEGCJTXDEISKIG-MRXNPFEDSA-N 409.490 1.832 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOC1 1964099479 NGQNIZDQMJFIDY-AVRDEDQJSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1985830939 ZYQDTNBNTSBUNP-GJZGRUSLSA-N 408.304 1.649 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2118169595 OHCLOIWEBZKZFQ-QWRGUYRKSA-N 400.423 1.512 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)C1 2183034880 FGOKJRSCEGRYNG-CQSZACIVSA-N 401.529 1.517 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)Cc1ccc(F)c(C#N)c1)C(=O)O 2195346919 XPWVBMOAVAJTKL-AWEZNQCLSA-N 400.428 1.980 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197739615 CMNSPDZBBINFRJ-ZIAGYGMSSA-N 401.529 1.807 30 10 HDEE CN[C@](C#N)(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)C1CCOCC1 2208071706 IXYGNZHWZHBTHO-JOCHJYFZSA-N 407.474 1.630 30 10 HDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)[C@@H](C)NC(=O)OC(C)(C)C 2247856971 PGFLBBRCWIKKJY-NWDGAFQWSA-N 423.323 1.146 30 10 HDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2248587101 LNSXIUAMYVEVSS-UHFFFAOYSA-N 413.283 1.914 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1F 2282314847 GFGOHHLJPYWHAI-VXGBXAGGSA-N 405.322 1.713 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282334394 AQMYHZRCSVRKET-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CN 2282352258 MBSVEHAHLUQDOR-LBPRGKRZSA-N 400.375 1.653 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282493543 UWFODJBKXNUXIG-BXUZGUMPSA-N 400.375 1.699 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282495034 GSAOFGRIXUHOLC-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CO)CCC3)c(Cl)c2)OC1(C)C 2282500717 MQXGQPNLQLZRPJ-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282832420 OURCSFVOGFFRNW-QGZVFWFLSA-N 423.340 1.868 30 10 HDEE Cc1cc(S(=O)(=O)NCCN2CCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282842931 FQZYJYRSCHZYDC-UHFFFAOYSA-N 402.347 1.271 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@]3(C)C[C@H]2CO3)OC1(C)C 2282843329 LQDJQFHYIPEWDP-ZBEGNZNMSA-N 400.331 1.135 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H](O)C(F)(F)F)OC1(C)C 2282845787 ZGSYXLIJELMEMX-SNVBAGLBSA-N 415.264 1.390 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CC[C@@H](F)C2)OC1(C)C 2282846954 RDFMXRAKLPHHRI-VXGBXAGGSA-N 404.338 2.000 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(C)(C)C1 2282848773 RMUWVGKJVZINQO-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282856404 RPYDZWCMAZIHQI-CYBMUJFWSA-N 400.375 1.795 30 10 HDEE CC(C)[C@H](CN(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882359 KPTRYQQUSVIWRR-AWEZNQCLSA-N 402.391 1.912 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCOC3=O)c(Cl)c2)OC1(C)C 2284247033 GQYVUFHWWQNPKP-GFCCVEGCSA-N 401.677 1.233 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372244 PCJLLHVPHHMWAK-ZIAGYGMSSA-N 401.554 1.719 30 10 HDEE CCc1csc(C#CC(=O)[C@H](O)c2cn(C)nc2I)n1 2363936077 RLQZMVMVMQRFFJ-GFCCVEGCSA-N 401.229 1.698 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367814145 ANRKCRUWIJPTLH-PMPSAXMXSA-N 402.557 1.457 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367832323 ZJCJTCUEFCJFPF-HUUCEWRRSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)NCCOC[C@@](C)(C(=O)O)N1CC[C@H]2SC(=O)C=C2C1 2372929627 AWABNJAFCRQHDN-ACJLOTCBSA-N 400.497 1.645 30 10 HDEE C=CCC1(N[C@@]2(C(=O)O)CC[C@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377200143 ZKLMJYUEDXTEMK-UGSOOPFHSA-N 402.513 1.562 30 10 HDEE C#CCCN1CCC(=O)N([C@]2(C(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)C1=O 2378465144 TUUUWTDPJBAUGF-HRAATJIYSA-N 413.430 1.576 30 10 HDEE N#CCC(=O)NCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 169830782 AYHISWRUVLKIGE-GOSISDBHSA-N 404.426 1.040 30 10 HDEE COc1ccccc1N1CCN(CC(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)C1=O 238923042 UHJUKPSZVCIPMY-QGZVFWFLSA-N 421.457 1.884 30 10 HDEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 254579038 LXFLCLLTFCKKFB-VXGBXAGGSA-N 408.423 1.953 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc([N+](=O)[O-])ncc1Br 327878926 CADUVSBXPZEEDP-UHFFFAOYSA-N 412.244 1.440 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccn(-c2cccc(C#N)c2)n1 409854472 JXPBIXBEEPFOGZ-BDXSIMOUSA-N 408.414 1.309 30 10 HDEE N#Cc1ccc(OCCNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 461151727 HVMACONNIWCZQW-UHFFFAOYSA-N 402.410 1.691 30 10 HDEE COCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CC1=O 461662495 VGGATYZLVLKRBC-GOSISDBHSA-N 424.505 1.538 30 10 HDEE C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(=O)(=O)C1CCOCC1 473440204 ZPFCVPLJPUWVJH-OAHLLOKOSA-N 406.504 1.910 30 10 HDEE CCn1cnc(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c1 474060467 UVEJAPUILCGYIE-UHFFFAOYSA-N 402.436 1.534 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](c4cccc(O)c4)C3)CC2)o1 485965561 NBDRVHRJQJRBIW-LJQANCHMSA-N 411.462 1.282 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C#N 489687816 ZGGVSIGKALIGTG-UYAOXDASSA-N 400.504 1.423 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNC(=O)Cc3cccc(F)c3)cc2C1=O 499542366 TWZBYKORBJBBDH-UHFFFAOYSA-N 409.417 1.696 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(Cl)cc3)cc2O)CC1 500800714 LWKMUHULNPFQGD-UHFFFAOYSA-N 403.870 1.291 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 509932565 CYBMVHMRVQNKMO-AWEZNQCLSA-N 414.915 1.342 30 10 HDEE CN(C)C(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 537260502 ZZKRRLWHUDSCNK-FQEVSTJZSA-N 415.513 1.335 30 10 HDEE CCOc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 537301693 JXSBGECETYFKGD-ZDUSSCGKSA-N 418.479 1.533 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 539697915 HFBHPGXFANXTJH-ZDUSSCGKSA-N 417.462 1.958 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 545294997 HYUNSWHIEROXDK-UHFFFAOYSA-N 420.469 1.727 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)C12CCCCC2 545461501 LCZQHWMKDGQRIB-UHFFFAOYSA-N 410.478 1.199 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C#N)c1 551226214 IVXLYMUTFDWPQO-GXTWGEPZSA-N 405.314 1.757 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)CCO1 553886941 PGXNSARMNJCVHG-MNOVXSKESA-N 409.390 1.171 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 560429579 PXQANVVUNZZDTQ-HNNXBMFYSA-N 412.515 1.003 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 564380670 ZVGMSZVIFJBPOL-MRXNPFEDSA-N 409.556 1.980 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ncccc2C#N)CC1 574961405 BOKDYEIWKTWQDT-GOSISDBHSA-N 409.494 1.099 30 10 HDEE O=C(NC1CCC(OS(=O)(=O)c2ccc3nc(O)oc3c2)CC1)[C@H]1CCCO1 586506612 LPXDHVFLUAGUBC-KOHJWAIASA-N 410.448 1.845 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc(OC)ccc3OC)N2N1 588227450 XEHBHPNBWYAKBZ-IBGZPJMESA-N 408.483 1.766 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 589797970 UYINDVHLUFYZRR-QGZVFWFLSA-N 405.414 1.106 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CCOc2cccc(C#N)c2)CC1 609040741 RPCSUPOBZPOAKT-UHFFFAOYSA-N 400.504 1.667 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611430906 FSJADOKFMNKGOU-RBUKOAKNSA-N 420.485 1.044 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)CC1 619103107 JWLBUZQYNRSPFB-UHFFFAOYSA-N 419.894 1.234 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)C1 619853354 HELUKGTTYBRWSE-VQIMIIECSA-N 409.429 1.542 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 672276252 RWMGZKRHRNKCKR-KRWDZBQOSA-N 418.519 1.981 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3cccnc23)c1C)[C@@H]1CCS(=O)(=O)C1 731473172 RLELEONAVPSZGL-MRXNPFEDSA-N 409.471 1.386 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(C#N)cc1 740204265 MXIJLYRIGGAODD-MRXNPFEDSA-N 422.484 1.783 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(-c4nn[nH]n4)cc3)ccc2c1=O 745466143 MAYSHVKHHJZCFS-UHFFFAOYSA-N 419.470 1.981 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 748611640 QHSXMXXPAHRCLS-XJNFMUPTSA-N 404.394 1.795 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1ccnn1 753153214 SSRXGVFKXSSWDB-HNNXBMFYSA-N 404.496 1.082 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 754377762 AAKLUUFPPKWOBV-AWEZNQCLSA-N 408.480 1.180 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CSc2nnnn2C2CCCC2)CCCCC1 760401138 SHUFFCUMNFQLCZ-UHFFFAOYSA-N 412.541 1.800 30 10 HDEE COCCN(CCC#N)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771585119 LORHQRQXEUJELE-FQEVSTJZSA-N 402.451 1.159 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774234425 HYOQJVCJEQUWEU-CVEARBPZSA-N 421.519 1.114 30 10 HDEE C[C@@]1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCN1Cc1ccccc1 779570024 LEZCFWWTPSFONF-PANRORFQSA-N 411.506 1.867 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl 779878055 YIAFTSNMVOCXEV-NSHDSACASA-N 406.869 1.368 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC(F)(F)C[C@H]2CO)cc1 782022230 UBPGCYGDKCBUEE-HJIPDZNASA-N 416.450 1.733 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(OCC(F)(F)F)nc2)cc1C#N 787278072 QOANBUGKMMOFBP-UHFFFAOYSA-N 422.363 1.836 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2C)cc1C#N 787528694 SLAKKLHHEDWBMR-UHFFFAOYSA-N 407.430 1.660 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(F)(c3ccccc3)CC2)c1=O 788372957 MWUTUUPKQWLNAR-UHFFFAOYSA-N 400.454 1.462 30 10 HDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)C1 790014367 FAIBOALAEYAVBM-UHFFFAOYSA-N 406.508 1.629 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 793195752 FPQVJKLPGKVHEB-KRWDZBQOSA-N 412.471 1.172 30 10 HDEE C#CCN(C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)[C@H]1CCS(=O)(=O)C1 799240635 KYIJXBDMNCJYKS-YJBOKZPZSA-N 419.503 1.259 30 10 HDEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)s2)cn1 800847325 YZRASAMRHVBSKT-OAHLLOKOSA-N 423.523 1.577 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 805114464 UKXYHOZIZDXVNJ-WMZOPIPTSA-N 408.524 1.933 30 10 HDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)cc1 807932902 NAFBAKJFBWOJNV-HNNXBMFYSA-N 402.480 1.482 30 10 HDEE C#C[C@H](NC(=O)C(=O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 809305458 DHIBLCQKCQYBFH-GVDBMIGSSA-N 408.401 1.485 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)ccc1C#N 810870268 UEICJSWBTVJAEL-JOCHJYFZSA-N 422.441 1.659 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)n1 816991794 XQMPPJWOJJLZTQ-MSOLQXFVSA-N 408.462 1.703 30 10 HDEE COCCCN(C(=O)c1ccc(C#N)n1C)c1c(O)nc(=O)n(CC(C)C)c1N 1124158994 BNMNCXFBBKZACR-UHFFFAOYSA-N 402.455 1.081 30 10 HDEE CN(C)C(=O)O[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1129095089 FSZUUMJIIOFQJK-HIFRSBDPSA-N 404.854 1.864 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H](C(N)=O)c2ccccn2)nnc1-c1ccco1 1129173698 JOESGMPFCQGDRG-MRXNPFEDSA-N 412.475 1.944 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1129843493 LFBMTBJDOHFLDG-DYESRHJHSA-N 418.515 1.566 30 10 HDEE C=CCCCN(CC)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1134802105 HGOSUATXMSGTJC-UHFFFAOYSA-N 407.536 1.968 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(N)c1 1135983773 ZWMVSMLOQHNNJU-IBGZPJMESA-N 416.478 1.834 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3(CO)COC(C)(C)OC3)C2)C1 1139584764 JWVKPLHAEKFHGE-CHWWFWEZSA-N 423.510 1.403 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C2=O)cc1 1139811907 YKVVLHZGXXSHAO-OLZOCXBDSA-N 404.681 1.897 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCN3CCCO)C2)C1 1141312008 VTKAYTPYIUJUGE-NYXBAERPSA-N 420.554 1.736 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1143013243 JRXUDAXAQXCBKJ-GOSISDBHSA-N 406.914 1.576 30 10 HDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1143053678 ALGZIJQIZWNRCC-KRWDZBQOSA-N 406.504 1.100 30 10 HDEE COC(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)(OC)c1ccccc1 1149603268 DTIGZLRBOJRDBS-UHFFFAOYSA-N 402.472 1.735 30 10 HDEE Cc1oc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1CN1C(=O)c2ccccc2C1=O 1150001045 TXLSJZHNHDLEKY-UHFFFAOYSA-N 420.425 1.582 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1153262137 HQVZHWAMFAMJGR-MRXNPFEDSA-N 417.510 1.841 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2n1 1156691026 WUDIERXGFKKWEM-GDBMZVCRSA-N 402.476 1.196 30 10 HDEE Cn1ccnc1[C@](O)(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C(F)(F)F 1161849898 UNJZBJAKVYJAJB-KBXCAEBGSA-N 422.411 1.930 30 10 HDEE C=C(C)CONC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1164450775 GCQIZAFBICLMIN-CQSZACIVSA-N 424.928 1.046 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1165497192 BBLGDGSKYXNAOJ-NVXWUHKLSA-N 419.528 1.651 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1178855348 GVBLZDDDYOUKDM-FQEVSTJZSA-N 409.483 1.444 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(C)(C)O[C@@H]4COC[C@H]43)ccc2c1=O 1183877934 BDVPIOZDJHAWRW-HZPDHXFCSA-N 401.488 1.890 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3ccccc3SC[C@@H](C)C#N)C[C@@H]12 1196199151 XVRQOUWDBQZPTR-KMCQBPLKSA-N 423.560 1.621 30 10 HDEE CON(C)S(=O)(=O)c1ccc(NC(=O)c2cc(C#N)c(SC)nc2O)cc1 1264267261 FSTQROUZOBKXAQ-UHFFFAOYSA-N 408.461 1.815 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286276190 WICMQOJQDVPKNR-OLZOCXBDSA-N 405.480 1.123 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1286294796 XKGMSQYDOQYWEH-RHSMWYFYSA-N 408.462 1.692 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC)c1 1286311528 NHGVWNNQBVNGAS-INIZCTEOSA-N 415.519 1.646 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1286334637 JSSRZTXNUIEUKG-NQIIRXRSSA-N 403.527 1.839 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1286377430 WLKCAICUMZMSBS-GOSISDBHSA-N 401.536 1.360 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1286447860 OBNUTRJDDRWPRC-INIZCTEOSA-N 419.526 1.893 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)CC1 1286471741 NUCZCPFUQUOTIA-OAHLLOKOSA-N 422.580 1.062 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286478466 BWWAQGDHTXBQNN-UHFFFAOYSA-N 406.534 1.855 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccs2)CC1 1286479516 HDJBNFBEJMMJRC-INIZCTEOSA-N 419.576 1.240 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1286602165 UBMOJMLIVZHNOK-QZTJIDSGSA-N 420.558 1.369 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1286727534 SRKNAGKJIIIUPT-GJZGRUSLSA-N 415.585 1.376 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286787418 FPFAPORNJYANNF-IAGOWNOFSA-N 402.543 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286817978 ZZYPPJKPAPJMLS-HNNXBMFYSA-N 403.508 1.213 30 10 HDEE CC(C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1287174854 UEHHOHQGEYWKKW-FBMGVBCBSA-N 417.514 1.279 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C1CCCC1 1299207080 UJLYSRIXNYWOLP-SFHVURJKSA-N 404.536 1.661 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300303443 KNKOKBGJBTUPAJ-SWLSCSKDSA-N 412.885 1.626 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1300323163 XILVDKDVBMHAOO-ZIAGYGMSSA-N 421.548 1.162 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496281 PHHGVEIZYQXCFH-MSOLQXFVSA-N 406.552 1.989 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COCCO1 1300637945 BKSYJOUUDQPLSC-YWZLYKJASA-N 417.441 1.723 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)COCCO1 1300819860 WLPYNLYXTBZFNO-PZBISTMVSA-N 404.511 1.800 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CC1 1301086757 OVYRPLOEFVZLDB-MSOLQXFVSA-N 424.567 1.922 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1301380116 ZLYWOAISBIIZLF-UHFFFAOYSA-N 421.509 1.871 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)C2)c1 1301633764 GJIRMBVZELZBQR-IBGZPJMESA-N 406.421 1.440 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1302095470 DQXMBAZWBRTXKM-MGPQQGTHSA-N 421.420 1.698 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1303367578 XDQWHGUCIDMIIK-MDASCCDHSA-N 406.462 1.196 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C(C)C)CCOC1 1303507813 ZCLNFCFVAKDIMG-FFZOFVMBSA-N 407.515 1.454 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)s1 1304777383 OZHJGJXNDLSKKY-ZDUSSCGKSA-N 402.528 1.789 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 1320061113 HJWJFFMUHNPBPX-HNNXBMFYSA-N 413.471 1.655 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)C(C)(C)O 1327649361 BRAKJUIYIHSCLE-OAHLLOKOSA-N 403.483 1.266 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1342279538 PVHBPKNGNDEHNY-SNVBAGLBSA-N 409.327 1.592 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@H]1C 1359018646 XUKXALQYGQMKCN-QGZVFWFLSA-N 411.510 1.496 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1359333280 SRLJPBJNYJJFOD-INIZCTEOSA-N 411.572 1.572 30 10 HDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)CCCO1 1359465369 ALJHRWVFZGTDJG-ROUUACIJSA-N 417.558 1.611 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 1437026611 FDTMMRFLHBDLJC-IEBWSBKVSA-N 414.487 1.924 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1445240355 RPJUJUOBUMGNGU-SFHVURJKSA-N 416.327 1.695 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CCN2C(=O)CCNC2=S)C1=O 1448742344 BXDRFGGVTIOXHZ-GOSISDBHSA-N 411.528 1.186 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCN2C(=O)CCNC2=S)C1=O 1448742352 BXDRFGGVTIOXHZ-SFHVURJKSA-N 411.528 1.186 30 10 HDEE COC1(OC)CC2(CN(C(=O)CCn3cc(C#N)c(O)nc3=O)[C@H]2c2ccccc2)C1 1452555562 DTBOKVBGEPIWEQ-SFHVURJKSA-N 424.457 1.563 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1453543178 AOCYDNHBBBEGKC-VFNWGFHPSA-N 419.478 1.440 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)NCC23COCCN2CCOC3)c1 1454287046 RJTKFGWSXKBQFS-UHFFFAOYSA-N 407.470 1.968 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 1456676310 OIHPKHWQYHLTTG-SJORKVTESA-N 421.519 1.985 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1458183669 GJSHOPQEOZCXDA-UHFFFAOYSA-N 423.560 1.955 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)n1C1CC1 1459216492 CIRHDBXJWQDEFS-UHFFFAOYSA-N 400.460 1.014 30 10 HDEE N#Cc1cccc(C2(NCCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c1 1460097564 GQFFYTYZMHZWPJ-UHFFFAOYSA-N 412.515 1.533 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3CC3CCOCC3)CC2)o1 1460897412 RIULLBQRTGFEDO-GOSISDBHSA-N 417.510 1.021 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1F 1469014715 BYDSLYNJOXAKEB-CQSZACIVSA-N 416.434 1.014 30 10 HDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1469266198 GAKMXDKKVAMXHA-OCCSQVGLSA-N 418.441 1.862 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCO[C@@H](c4ccccn4)C3)CC2)c1C#N 1470166663 IAISGNUQGQSSQP-VQIMIIECSA-N 409.494 1.747 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 1470956659 LLKYWTUQSZEMSW-FUHWJXTLSA-N 404.486 1.908 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)C1 1471338500 ZLRLMLWXLLYXBX-FQEVSTJZSA-N 403.571 1.060 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NCC3(C#N)CCOCC3)nn2)C1 1472339056 PKGRSUUAQCLJLJ-OAHLLOKOSA-N 418.498 1.900 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CC1 1475230308 HWWKWDJXBZAMPK-CQSZACIVSA-N 412.309 1.946 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)cc1 1504224464 AQNKPRXXCIPRMC-GHTZIAJQSA-N 415.469 1.929 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1504854821 LVBGHDSCBHFTFZ-QFIPXVFZSA-N 423.521 1.254 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCO[C@H](C)C1 1504886190 ACEOZCYDXIDJDF-SJORKVTESA-N 404.515 1.582 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1504992941 BHAWLIPWBJNXGU-FUHWJXTLSA-N 420.558 1.994 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1505073856 WPPLAIOPIDBZSC-VOMKJEOTSA-N 420.489 1.359 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1507528492 NKWHLRRMYBTCRI-HNNXBMFYSA-N 410.503 1.786 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1507623346 VTHJVDVXNGASHH-MRUHUIDDSA-N 418.542 1.185 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1507642782 MRLSCZIDYNCKFB-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1507652922 KHFSHOLRGUSSBT-DLBZAZTESA-N 407.465 1.211 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1507656677 LLONAEUCKVDHKO-UHFFFAOYSA-N 410.547 1.167 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H](C)N1CCOCC1 1507713424 JNSGWWHPOXGCRN-KRWDZBQOSA-N 403.552 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)(C)C)CC1 1507727736 LZFUURKQQXQUGG-UHFFFAOYSA-N 414.579 1.848 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507807463 VRWCJSBRXYKMPK-LPHOPBHVSA-N 413.526 1.947 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1508072365 PMFQZTJVNYAEAR-HUUCEWRRSA-N 413.482 1.089 30 10 HDEE Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1511061577 IFLXISZCLPGNKD-QGZVFWFLSA-N 412.494 1.841 30 10 HDEE C[C@@H](C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 1521697715 RUEZLCWCGRNCGA-AWEZNQCLSA-N 420.473 1.828 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Oc1ccc(C#N)cc1F 1534940929 UTUWMJACFIKFEP-UHFFFAOYSA-N 411.432 1.735 30 10 HDEE C[C@@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)n1cnc2c(N)ncnc21 1540502651 FOJLNRFWCFZCGW-HNNXBMFYSA-N 404.478 1.576 30 10 HDEE N#Cc1c(CCCNC(=O)C[C@H]2CCCS2(=O)=O)nn(-c2ccc(F)cc2)c1N 1540746612 BRRCQMLKUVDTRV-OAHLLOKOSA-N 419.482 1.481 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(c2cc(OC)cc(OC)c2)CC1 1540863762 DTTROJFVVBRLPH-UHFFFAOYSA-N 414.510 1.623 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1CCN(C(=O)C(CC)CC)CC1)c1cc[nH]n1 1542126808 RDUOZLQPRFPCQU-UHFFFAOYSA-N 421.498 1.237 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1543110601 XPNYUGIMITXYHX-LTMIRXACSA-N 410.518 1.899 30 10 HDEE COc1cc(/C=C/C(=O)N2CCN(C(=O)CC#N)CC2)cc(Br)c1O 1545534458 HXMOFYZYZYNXQN-NSCUHMNNSA-N 408.252 1.761 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCN(CC)CC1 1546490042 IHENWENOGBRQCR-UHFFFAOYSA-N 424.553 1.403 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1546517812 SNGYWZFOMRINOR-LJQANCHMSA-N 407.522 1.703 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1554322441 VWFNKGCSHFNSQQ-NQIIRXRSSA-N 413.478 1.495 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC12CCOCC2 1555669997 RNGQSLGVDAAJTK-IXDOHACOSA-N 405.499 1.548 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C)c(C)s1 1555671217 ZMWWZTNATVNPLI-DZGCQCFKSA-N 406.512 1.853 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1556375801 SMEBOWOXPWLHIJ-IFXJQAMLSA-N 400.472 1.120 30 10 HDEE N#CCCn1cc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1556503270 NWXFVFVHEIMYOK-ZWKOTPCHSA-N 424.461 1.653 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC(F)F)C[C@@H](C)O 1556626064 BDYIYEUNUGQREY-OCCSQVGLSA-N 417.478 1.758 30 10 HDEE CS(=O)(=O)CCCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1564958534 ZWBHOEPDIRGHQU-UHFFFAOYSA-N 421.479 1.463 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1569044261 PYKMAWXLIWMWQJ-IRXDYDNUSA-N 417.510 1.448 30 10 HDEE C=CCC1(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCOCC1 1583953135 PWHXJBOFDGPLRM-UHFFFAOYSA-N 414.549 1.688 30 10 HDEE C[Si](C)(C)c1ccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1586524344 QOMWJFCHJVJFFC-UHFFFAOYSA-N 415.591 1.629 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587857289 YANSLDIIURMABP-IAGOWNOFSA-N 407.540 1.200 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1587989401 JBRHCGHMDQORLV-AEFFLSMTSA-N 413.547 1.701 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1588109409 DIPFOOJGLXPGBC-UHFFFAOYSA-N 405.911 1.563 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1588228351 DPAPHJVVRPTDDV-SFHVURJKSA-N 412.515 1.719 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481900 DLUPZGYWVNEQIK-NVXWUHKLSA-N 411.572 1.901 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1594661831 XQQVJVYTDWVOMK-ULQDDVLXSA-N 407.515 1.310 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1612464962 CIDLVJKKYZJOFQ-UHFFFAOYSA-N 410.526 1.929 30 10 HDEE C[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612809162 NGZLYPIULBOYBM-DCOQFNDQSA-N 413.482 1.029 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1616611623 MNGUUVGGXUGZCF-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCOCC1 1617845410 FNBPDYUGLUBMNM-DHIUTWEWSA-N 412.578 1.950 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2OCC)CC1 1622067328 KPNPBCWPTMMUKX-UHFFFAOYSA-N 408.476 1.022 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(OCCOC)c(Br)c1 1622227008 KDBNEJNGIWOKSC-LBPRGKRZSA-N 404.282 1.497 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2nccn2C)C(F)(F)F)c1 1622691401 SXALKWWHEUVFJK-CYBMUJFWSA-N 402.398 1.918 30 10 HDEE C#CCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@H]1CCS(=O)(=O)C1 1625363138 KISCSANLXOZRQF-HNNXBMFYSA-N 405.501 1.786 30 10 HDEE Cc1cc(NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(C#N)cc1N(C)C 1625391478 DBQCUSDATRGHMH-UHFFFAOYSA-N 421.509 1.931 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1628350509 AAOKQTFWFYPJAB-QGZVFWFLSA-N 407.511 1.394 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1628511369 WIVWZJUJPXUZKT-KSSFIOAISA-N 422.279 1.107 30 10 HDEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1628895392 VCBAWVJQMBVDDN-BTHPGYMESA-N 408.502 1.959 30 10 HDEE CCOC(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1630644965 QDJCVLIMDMBLSW-UHFFFAOYSA-N 408.296 1.961 30 10 HDEE COc1ccc(C2(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC2)cc1 1633536161 MOZWYQNVTMOJBS-JXFKEZNVSA-N 403.504 1.697 30 10 HDEE COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1635095664 CEHCJVDQFPCPNY-UHFFFAOYSA-N 421.502 1.207 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NC(=O)CCn1cc(C#N)c(O)nc1=O 1638155520 SMNXDSJRNPFVJV-QAPCUYQASA-N 424.457 1.379 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2C[C@H]1C[S@]2=O 1639697845 QSJDCLUJUBCOOL-AOTXYTFASA-N 409.533 1.017 30 10 HDEE N#C[C@H](CO)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1640691626 RXDUKMPDDCDFBT-GFCCVEGCSA-N 401.282 1.536 30 10 HDEE CN(CC(=O)N1CCCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1642381757 KKOTWBOJGCWSSO-ZGOJQLDESA-N 404.511 1.854 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 1643360268 QIBSYYNITLMQTH-AWEZNQCLSA-N 404.492 1.211 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)CC1 1643372673 WNJJHCZTJJJHNY-UHFFFAOYSA-N 418.450 1.238 30 10 HDEE CO[C@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1643571985 JFGJDUSRDBFNCZ-IAQYHMDHSA-N 405.398 1.405 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)c2ccccc2OCCC)c1 1643808734 OSCPGCIEXHJCKZ-UHFFFAOYSA-N 414.483 2.000 30 10 HDEE C#CCOc1ccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1 1648797965 NNVQZYKKDPRWLE-UHFFFAOYSA-N 421.457 1.319 30 10 HDEE C[C@@H](CC(=O)NCC1(C#N)CCOCC1)NS(=O)(=O)c1cccnc1Cl 1653634104 HPHJFOBSRZKYBY-LBPRGKRZSA-N 400.888 1.228 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1cc(C#N)ccc1Cl 1656040522 AUAPMTBQSLPMDE-YPMHNXCESA-N 400.840 1.327 30 10 HDEE C#CC[C@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1663796308 GCJLDZCENFESMI-SFHVURJKSA-N 422.503 1.520 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 1665457563 WFEDBXJAHCIUQG-ZDUSSCGKSA-N 401.315 1.975 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 1665457618 YBNANVHJNLQZOF-GFCCVEGCSA-N 415.309 1.596 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)C1CCOCC1 1667902630 LQPVQBPDZKZNGD-GOSISDBHSA-N 414.506 1.633 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)[C@H]1C[C@@H]1C 1671658690 UYWJADALLFKNLA-SECMTKEISA-N 416.503 1.850 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2OC(F)F)CC1 1675775608 CLFSKVBEDRHHLX-ZDUSSCGKSA-N 416.450 1.144 30 10 HDEE N#Cc1ncn(CCNC(=O)NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 1680972662 DBTCFXPGMGBBME-LJQANCHMSA-N 415.457 1.846 30 10 HDEE Cc1nccnc1CCNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682744769 KLXYKZWAXUJMMO-UHFFFAOYSA-N 404.478 1.899 30 10 HDEE COc1ccc([C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccco2)cc1 1683221540 RPMZMCMLVHIHME-GOSISDBHSA-N 421.413 1.778 30 10 HDEE CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1684311712 IZIFNKGPQPDJMJ-GFCCVEGCSA-N 402.411 1.046 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1684464931 PGRMBQUZUFSGGQ-HXUWFJFHSA-N 420.517 1.944 30 10 HDEE Cc1[nH]c2ccc(F)cc2c1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1684551059 ZHOVJVDMWNCKCU-DJJJIMSYSA-N 404.467 1.738 30 10 HDEE CCO[C@@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)CN(C)C 1687556502 HNEUHJDGRYMIGR-IBGZPJMESA-N 401.511 1.885 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689998147 CRCURRUPGHRIBR-KZNAEPCWSA-N 423.583 1.487 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1690077380 NMDBPOMPEYBURO-CHWSQXEVSA-N 408.446 1.607 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](COC)OC)CC1 1690133555 LEHOMTDOTOJTRC-IBGZPJMESA-N 417.485 1.413 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nnc(C)s2)CC1 1690142309 LEUAMZNMXVDULZ-UHFFFAOYSA-N 410.507 1.447 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC(N)=O 1690234849 PFLATHPHLXMXAU-UXLLHSPISA-N 404.515 1.195 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1690433005 QTNDTOBUYASYMD-HUUCEWRRSA-N 410.540 1.782 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690506048 BALUFPRXUGJAFU-KRWDZBQOSA-N 401.515 1.766 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690507030 AWWBYYYYDNIFCT-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1690993198 GSULPOLGXLPLSC-NWDGAFQWSA-N 411.919 1.581 30 10 HDEE CC(C)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1692808309 ZFECKYVPLIYXFW-CZUORRHYSA-N 422.511 1.262 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1694264932 FUFMEMOXZIWZFB-HUUCEWRRSA-N 412.498 1.826 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)C1 1698487034 YLAZQPOZCZETAT-SFHVURJKSA-N 403.849 1.939 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705566620 OVKNJYDLGYJQOH-CVEARBPZSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(F)c1 1705574212 XRZKMCFDPHSVIW-INIZCTEOSA-N 417.510 1.733 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnc(C)s1 1705622655 OSLZBGJYEMVCEC-LJQANCHMSA-N 405.524 1.829 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1CCC(=O)N1 1705630870 JSRUPKPWUYFPAP-OAHLLOKOSA-N 401.442 1.361 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1705637394 VKKKQOTVJWXCHL-NRFANRHFSA-N 408.531 1.440 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705661853 KGVHUKOSMNZXIL-ZACQAIPSSA-N 424.592 1.552 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705740291 HIVWNMRPSFICSX-NRFANRHFSA-N 421.542 1.580 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705782392 WADWTFVYCBCYGU-QZTJIDSGSA-N 423.583 1.856 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705833045 SACXZFPVVVPLPI-CVEARBPZSA-N 404.471 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1705901474 MOGDXBMOOBCDKS-OKILXGFUSA-N 407.478 1.988 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)CC2)cc1 1705911275 DHSKXDSVCKTEJH-IBGZPJMESA-N 424.505 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC[C@H]1C 1705929054 YUAPYJNSHGPLRZ-CQSZACIVSA-N 413.544 1.022 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722369462 ZQXZGFNWGUZGPF-BZSNNMDCSA-N 420.535 1.839 30 10 HDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722369622 CNCKPYDXAPVIHO-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1722381288 MYTXDMPLESEBLA-LJQANCHMSA-N 417.517 1.736 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)CCC)CC1 1722432585 BHEBNQILUHRQLV-SFTDATJTSA-N 405.543 1.237 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2)CC1 1722433449 VTWRDDHKJCBGQI-GHTZIAJQSA-N 419.595 1.971 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nncn2C)CC1 1722434638 SYPSBVXUCOJYMO-UHFFFAOYSA-N 414.876 1.670 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nnc(CC)s2)CC1 1722436414 FXTFRRDPBSQZKZ-OAHLLOKOSA-N 401.540 1.390 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)C)CC1 1722453566 YBUOMGFPNBQIGQ-UHFFFAOYSA-N 413.551 1.822 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722522542 VMJLCROCOPSCCB-QGZVFWFLSA-N 412.469 1.907 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)CC1 1722566143 KNUJYMJOUSPJPL-KRWDZBQOSA-N 417.535 1.567 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722593198 JYUHMXQOBWSCKR-QGZVFWFLSA-N 404.559 1.942 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OC)C1 1722709043 IQEFLSMYSXHCNZ-INIZCTEOSA-N 400.483 1.650 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2ccco2)n1 1725927122 FUVCLWITQRZIOM-CQSZACIVSA-N 410.482 1.759 30 10 HDEE Cc1nnc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1Cc1ccc(C#N)o1 1726350195 LHALPJHQALEGJY-LBPRGKRZSA-N 400.464 1.944 30 10 HDEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1729366922 MFMZSWNJYIKPDJ-MGPWXQLLSA-N 402.524 1.699 30 10 HDEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1729575439 HGWBIXUOGWXXDZ-NRFANRHFSA-N 420.477 1.212 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1729761813 AGSOFMODWRGSFZ-SJORKVTESA-N 422.489 1.731 30 10 HDEE CON(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1730968056 FOERMIJAFBIGFO-ISLYRVAYSA-N 400.414 1.532 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1740557558 LZKGIFLWYDBBDY-OAHLLOKOSA-N 404.540 1.422 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740626166 JXYRFIATHPAEGN-CVEARBPZSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740645029 CQMYSOGFRIKCCH-QGZVFWFLSA-N 424.505 1.457 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCCCC2)CC1 1740694401 ISXXTAWBEOLHRO-IBGZPJMESA-N 414.554 1.678 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)S[C@H](C)C1 1740717403 ROMFLTPQOAMCLR-RBSFLKMASA-N 414.622 1.877 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740956047 FWTZTNDNTCSXHU-QGZVFWFLSA-N 414.510 1.307 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1742004177 QJIVOSNFEWETSR-INIZCTEOSA-N 423.477 1.420 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CCN(C)CCC)CC1 1748031835 GWIIYRIWKONCCN-JRHPMUGDSA-N 401.551 1.595 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCOC1 1748687164 DJISHXFYIDJOSJ-IIBYNOLFSA-N 400.479 1.865 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1748829719 IDUNJMDAYXYIDP-HNNXBMFYSA-N 419.482 1.179 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749426876 JFQRLRWKQBTIIK-RBUKOAKNSA-N 416.570 1.881 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1749487866 RRRBKOWIKHSKSA-HNNXBMFYSA-N 415.585 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCCOC1 1749729746 QMXMSTHEZZFGDG-MRXNPFEDSA-N 407.540 1.747 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC2(CCOCC2)C1 1749733704 ABJDLOYQQPOYEC-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N(C)C 1749827406 BLHACWMTMGUFDS-UHFFFAOYSA-N 414.466 1.171 30 10 HDEE COCCOCc1ccc(Cn2c(C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)cc1 1750080193 AXFZRYGAHUOJPF-NRFANRHFSA-N 410.522 1.974 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCNC(=O)C2CC2)c1 1750380941 CSFICFDYUFOENA-UHFFFAOYSA-N 407.478 1.045 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1760101945 CQIILFMSOWIHAO-PGGUUEOZSA-N 420.560 1.718 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1760114285 KCMRMVJADWFGFP-IRXDYDNUSA-N 400.527 1.332 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1760177732 XPARUJBIELCXIQ-OAHLLOKOSA-N 408.553 1.127 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC 1760241714 HNOCVJPKAIOXOB-QGZVFWFLSA-N 420.510 1.996 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1760250212 GNTVFBDGGVCGRY-UHFFFAOYSA-N 412.538 1.843 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760347725 RRQQMPYOTZPTJX-KRWDZBQOSA-N 402.543 1.965 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CC2)CC1 1760404703 JTXBONDEUOZWSQ-UHFFFAOYSA-N 407.540 1.380 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1760460648 ASHREAXGNCNHPO-UHFFFAOYSA-N 407.478 1.340 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760509966 XQMAWBYPSDGBLV-HNNXBMFYSA-N 412.498 1.239 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@H]1CC 1760518658 YOQXIVYXEDCFOF-DOTOQJQBSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760524217 RWPORJFUTNDORS-IRXDYDNUSA-N 418.542 1.217 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1760542400 LXQCSSALNFPUTG-GVDBMIGSSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CC(C)C)C1 1760557320 HPETUOLQGHBLQF-QGZVFWFLSA-N 423.583 1.874 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1760657811 ZSFDKNNEEZPBLT-HNNXBMFYSA-N 408.466 1.544 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)CCS(C)(=O)=O 1764684386 GKXABTLJVKGKNL-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE N#CC1(CNC(=O)c2cc(Br)cnc2N2CCOCC2)CCOCC1 1852761366 NVPDTUFUSBYNEK-UHFFFAOYSA-N 409.284 1.731 30 10 HDEE C#CCSCCNC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 1853117008 YRUCPTNAJJDJBX-HNNXBMFYSA-N 409.552 1.717 30 10 HDEE Cn1cc(C#CCNC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)cn1 1853323837 PSHUCEGNSYGSCJ-UHFFFAOYSA-N 414.513 1.919 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)c1 1853398766 NIOXKFJASBEADR-ZDUSSCGKSA-N 404.430 1.590 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2C1 1853547603 MOXQOLKLYSAGQY-FQEVSTJZSA-N 423.517 1.628 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCCc4nc(OC)c(C)cc43)C2=O)CC1=O 1853689473 JJOAVNONBWIXIB-WBVHZDCISA-N 412.490 1.313 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2cccnc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1854081922 GPYRJBHNUQQIHJ-DLBZAZTESA-N 418.925 1.904 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(Cc4ccncc4)CC3)C2=O)cc1C#N 1855652438 WSBUXEZHSSNZRS-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1856045777 HYGFQYOBALWWMQ-UHFFFAOYSA-N 404.275 1.910 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(Cc4ncnn4C)CC3)CC2=O)cc1C#N 1856174572 VWWDFWQATSYUQW-IBGZPJMESA-N 406.490 1.896 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235086 AYFQXLOMSNATOC-GDBMZVCRSA-N 402.474 1.228 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](N2CCC(CC#N)CC2)C1=O 1856546620 GJNMOODOXASIAE-QGZVFWFLSA-N 403.504 1.847 30 10 HDEE Cc1ccc(C)c(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856598185 YZUPZQBBZDEMKF-KRWDZBQOSA-N 405.476 1.830 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)[C@@H]4CCCCO4)C3=O)CC2)n1 1856970526 IWIGLOFRSGNLOO-OALUTQOASA-N 412.490 1.741 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)c4ccno4)C3)CC2)CC1 1857127233 JVZJSOLYNZFHCT-MRXNPFEDSA-N 413.478 1.137 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CC(c4nnc5ccccn45)C3)C2=O)cc1 1857145830 GZUSFGLSJGTCOX-GOSISDBHSA-N 400.442 1.370 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCN(C(C)=O)CC2)cc1 1860635169 VDQPBDMRVIVXEQ-DHZHZOJOSA-N 415.490 1.207 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870385257 PBXDENLTWKRKDO-OALUTQOASA-N 405.539 1.745 30 10 HDEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc1OC 1874444197 BIUKUNLIFATSPY-DGURAOSJSA-N 405.480 1.997 30 10 HDEE C=C(Br)CS(=O)(=O)N=S1(=O)CCN(C(=O)OC(C)(C)C)CC1 1962319501 RCVFFKPAGHQCDI-UHFFFAOYSA-N 417.347 1.944 30 10 HDEE C=C(CNC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]21)B1OC(C)(C)C(C)(C)O1 1991967308 YBWULSGKFWBWAB-ZNMIVQPWSA-N 408.304 1.925 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995110895 BYYYSBASBRYJSH-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010399317 YNUKKVZTUOLWHF-JHJVBQTASA-N 423.319 1.306 30 10 HDEE C=CCn1ncc(NC[C@@H](O)CNC(=O)OC(C)(C)C)c(Br)c1=O 2011423140 OFKUSSULLFGUKY-SNVBAGLBSA-N 403.277 1.489 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 2118168402 LHQGYDJUCWYIHJ-KBPBESRZSA-N 401.872 1.782 30 10 HDEE CN1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@H](CNC(=O)C(F)(F)F)C1 2162904549 PADBJOHWUZCFOC-PSASIEDQSA-N 401.298 1.230 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 2174785518 ZWJIAJKNMCIDCA-RBSFLKMASA-N 402.517 1.081 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)N1CCC[C@H](C#N)C1 2174786685 MBWZBCSEVYTLJY-OAGGEKHMSA-N 400.545 1.949 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ncccc1B1OC(C)(C)C(C)(C)O1 2212758292 MDDYJIKRGDQOOH-AWEZNQCLSA-N 407.320 1.703 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2241408915 NMYOGAPEOMAMDS-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE Cc1c(C(=O)NCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2243384177 LKSAQQWDSKBJRG-UHFFFAOYSA-N 408.308 1.282 30 10 HDEE Cn1nc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2243384183 LOJVAAGWUAPLIY-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE Cn1ncc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2243424436 QTGRUINUWSZPHR-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674778 NNDIVCQBDMRHHD-CABCVRRESA-N 408.304 1.667 30 10 HDEE Cn1nc(C(=O)NCCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247923463 YWYCDGXDIJGROB-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2247931077 LAMLIDADASJVNR-VFNWGFHPSA-N 420.315 1.763 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)OCCO1 2255951801 KPWHZHNEFUEDJQ-UHFFFAOYSA-N 417.720 1.681 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NCc2nccn2Cc2ccccc2)OC1(C)C 2256061016 ODJWADDTJZMOQW-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC#CCCO)cc2Cl)OC1(C)C 2267355396 GRQXORFGOICHDR-UHFFFAOYSA-N 405.734 1.365 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716109 IDDICTDKPGBXTR-APXPCNQMSA-N 407.388 1.435 30 10 HDEE C#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2270504641 WEFVSUOKSHOYDY-GOSISDBHSA-N 416.455 1.878 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044718 REEJZJMRJLOGTO-HIFRSBDPSA-N 405.304 1.333 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282063554 NJHXSLOBEGZGLD-LJZMDLFKSA-N 400.375 1.965 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282304502 LECISGIGDIWRLD-OAHLLOKOSA-N 423.340 1.678 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(C)CC(=O)N3)cc2Cl)OC1(C)C 2282319711 YBZATUGOZKYAKQ-HNNXBMFYSA-N 420.749 1.258 30 10 HDEE CON([C@H]1CCOC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282326670 WHSXEALILPFYNS-LBPRGKRZSA-N 403.331 1.697 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)Nc2nc3c(s2)CNC3)OC1(C)C 2282331350 MJIGLIKLFGPUEX-UHFFFAOYSA-N 413.355 1.908 30 10 HDEE CCN(C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2282483513 YTNQMFVNJQJYHT-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CN([C@H]1CCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494935 FIRALTCHAMVSDJ-ZDUSSCGKSA-N 400.737 1.622 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)N(C)C 2282504266 MHHZFSPZRBDCSW-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE Cn1cc(C(=O)N2CCC3(C2)CC2(C3)OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282548450 YFNHYNDLDSTWAZ-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE COCC1(N)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282615323 OESQMLHAGULNHZ-UHFFFAOYSA-N 400.737 1.937 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282841814 PYOBWPYYVDONFY-NEPJUHHUSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCNCC3(F)F)s2)OC1(C)C 2282864895 MTCZRLGZWGWOPM-JTQLQIEISA-N 408.301 1.323 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2282867033 SGCPMQYUCITYQJ-OLZOCXBDSA-N 401.359 1.892 30 10 HDEE CC1(C)COCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282867445 ZASPMGCRGSHOGO-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CCCNC(=O)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282879141 PPSBBROAPIIDOP-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CC[C@H]3C(=O)O)c2)OC1(C)C 2284399214 HPQRWCWPITUQGA-ZYHUDNBSSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCCC(=O)O)OC1(C)C 2284405703 ONQDJEULWGGHCT-UHFFFAOYSA-N 404.319 1.117 30 10 HDEE CSC[C@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410912 FKGMEHJDPAXYNY-LBPRGKRZSA-N 401.315 1.080 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@H]2CC(=O)O)OC1(C)C 2284413530 LNMQUNDVSHZOQW-JQWIXIFHSA-N 401.315 1.579 30 10 HDEE COCC[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284459534 MMKJCOWSYRJNBJ-JTQLQIEISA-N 403.693 1.920 30 10 HDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCCC1 2285392313 XXQAFVOKQYHPAW-OAHLLOKOSA-N 403.545 1.998 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCS(=O)(=O)C(F)(F)F)C1 2286441164 LWIDSOWOZNTOHO-UHFFFAOYSA-N 412.430 1.734 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OCC)c1 2330742751 LGJJTSTZBUBAOF-UHFFFAOYSA-N 418.523 1.813 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363540576 ZHSYOGKLNNUCJN-RDTXWAMCSA-N 413.565 1.945 30 10 HDEE COC1(C#C[C@H](N)[C@H](O)c2ncc(I)s2)CCOCC1 2363667371 XYUBFCFCTMFOJD-ONGXEEELSA-N 408.261 1.307 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]1C(C)(C)C 2365198373 FPVPOYKGRHMOBM-IQUTYRLHSA-N 402.557 1.537 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365252274 CHJAPCLGIKIEDG-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367820356 QWPYIZXHCJTOLB-BZUAXINKSA-N 400.541 1.163 30 10 HDEE CC(=O)OC[C@@]12C[C@@H](OC(=O)CC(C)C)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](O)[C@]2(C)[C@@]12CO2 5457799 PNKLMTPXERFKEN-XKYIKQDASA-N 424.490 1.122 30 10 HDEE N#Cc1ccccc1OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 14365826 DJJWLUQDJZSFFE-UHFFFAOYSA-N 421.500 1.336 30 10 HDEE Cc1ccc(S(=O)(=O)C/N=C(/CN2CCOCC2)n2nnc3ccccc32)cc1 15781319 FHAFYQYGLDSGLD-MRCUWXFGSA-N 413.503 1.750 30 10 HDEE COc1ccccc1N1CCN(CCNC(=O)C(=O)Nc2ccccc2C#N)CC1 56966514 RIZIHTJHRQNVQZ-UHFFFAOYSA-N 407.474 1.444 30 10 HDEE CCOC(=O)NC(=O)C(C#N)=NNc1ccc(C(=O)OCCN(CC)CC)cc1 254296521 UPPILSNNQRZUMV-UHFFFAOYSA-N 403.439 1.749 30 10 HDEE CSc1nc(O)c(C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1C#N 432049718 WUCUJQPWAHAZTO-UHFFFAOYSA-N 419.551 1.737 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 437885870 DFBNSCGQBHRUQQ-PRWKNARSSA-N 415.519 1.746 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1F 443180748 KVKNFUJVJPVGDY-AWEZNQCLSA-N 419.434 1.300 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1cc(-n2cnnn2)ccc1F 471244949 GIRGBTQIFNUBRM-UHFFFAOYSA-N 403.381 1.879 30 10 HDEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)c2)c1 473671551 WTBYFPCWZQPNJH-IBGZPJMESA-N 421.457 1.915 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482363803 POJSVLVUJZWXSJ-OCCSQVGLSA-N 403.508 1.323 30 10 HDEE CCCNC(=O)[C@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)c2ccccc2O1 489044665 LJDYDIHJXQRFGT-GOSISDBHSA-N 400.460 1.744 30 10 HDEE N#C[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(Br)cc1 499407698 NWYMCTZRRASEMU-AWEZNQCLSA-N 412.309 1.722 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cc(Cl)ccc1N1CCOCC1 499702804 FOCHGHZOUBNOHE-AWEZNQCLSA-N 400.932 1.993 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 503613102 RBRLHYNXIXJTJH-UHFFFAOYSA-N 419.488 1.142 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](NC(C)=O)C1 508818223 RDQQONRDDRGJRY-GOSISDBHSA-N 410.526 1.743 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)O)ccc1C(F)(F)F 515515873 SMLSNEKIUSXGGJ-AWEZNQCLSA-N 405.398 1.794 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1-c1ccccc1C 531369776 YOOCJQGLVPZQJM-UHFFFAOYSA-N 406.492 1.390 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 546919984 FKXBYDCPAXMQHE-QEEYODRMSA-N 407.536 1.919 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@H]2CCCCO2)cc1 549662184 XWMIUOYRRWRTTE-WOJBJXKFSA-N 408.506 1.907 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)N(C)C)CC1 554633621 FVVARBVRBXOAAX-UHFFFAOYSA-N 400.483 1.952 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cscn2)c1=O 558533197 MKZIOUGTPYXINI-UHFFFAOYSA-N 403.529 1.665 30 10 HDEE Cc1noc(C2CCC(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)n1 574849305 BLTYJPRZITXPRW-UHFFFAOYSA-N 403.464 1.371 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 577318272 BBCAGKZKUNTCEP-OALUTQOASA-N 408.483 1.820 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 582756464 SDSPEZMPLTYHBL-IFXJQAMLSA-N 417.462 1.964 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c(F)c1 586859602 CNKKWNFIEFUNSL-MOPGFXCFSA-N 402.470 1.198 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCN(c4ccccc4)CC3)CC2)nc1 587655089 ZCDXIMWKUFJXOW-UHFFFAOYSA-N 418.501 1.387 30 10 HDEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)CCC1 589228135 NTQKTUCSUIANCV-CQSZACIVSA-N 412.309 1.946 30 10 HDEE CS(=O)(=O)N(CC(=O)NCc1cnn(-c2ccccc2)c1)c1cccc(C#N)c1 603677853 KNODAMAOCPHAPJ-UHFFFAOYSA-N 409.471 1.826 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 610777818 JULDACBULBRGFK-UHFFFAOYSA-N 422.493 1.874 30 10 HDEE N#CCN1CCC(NC(=O)C(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)CC1 610869775 QPXYKRPHPUPYOR-UHFFFAOYSA-N 420.395 1.934 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 619834881 HYZBRUVTVCNHCD-YJBOKZPZSA-N 408.528 1.317 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 670202041 XVGXTOGFGBTWPL-HXUWFJFHSA-N 418.586 1.937 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727814108 JTMSXSPNHIJJRO-UHFFFAOYSA-N 408.483 1.168 30 10 HDEE C#CCN(CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 731213476 DBEJIRCDFRLYHC-HNNXBMFYSA-N 413.337 1.530 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 731851109 HLJUMSCRGVRHLG-BUHFOSPRSA-N 405.354 1.390 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732562059 ZUSPWNVIKJZVHD-INIZCTEOSA-N 414.531 1.423 30 10 HDEE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732647633 HHBFTOBGGJIZEM-ZHRRBRCNSA-N 407.474 1.184 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 735194826 KWFWWBDTGWTZNC-GDLZYMKVSA-N 417.462 1.847 30 10 HDEE CCN(CC)CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 737199953 XXGRDBMWIKLHFM-LJQANCHMSA-N 413.522 1.544 30 10 HDEE C#CCCN1CCC(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 740737522 PQMWFUYZNDTYBZ-NRFANRHFSA-N 408.502 1.066 30 10 HDEE CC[S@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 741425461 SBUNUOZTMWIFBS-UGOOHZPOSA-N 400.526 1.390 30 10 HDEE COC(=O)c1ccc(NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)c(OC)c1 756897517 BURDMMRDPKJFDJ-UHFFFAOYSA-N 420.857 1.790 30 10 HDEE COc1ccc(N2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)cc1 760912612 BMWMHKOVDOPYPU-UHFFFAOYSA-N 420.517 1.433 30 10 HDEE N#Cc1ccc([C@@H](O)CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 763227426 YREBPGAKTGCHMO-IBGZPJMESA-N 416.459 1.506 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)cc2)c1N 763775280 NBQTZOYYBDGEID-ZWKOTPCHSA-N 407.430 1.884 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCF)C1=O 767732312 CDBZALNYRILILF-INIZCTEOSA-N 405.499 1.917 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cnc(Br)cn3)CC2)o1 773520162 GZOKGWZONGTDFB-UHFFFAOYSA-N 405.256 1.940 30 10 HDEE O=C(O)CN(CC1CC1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 776609250 DHHCOQPIHWWREX-UHFFFAOYSA-N 407.492 1.609 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)c1C#N 788260743 FDSHHNWNTDANDD-UHFFFAOYSA-N 404.515 1.896 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccn(CC(F)(F)F)c2=O)n1 788629594 DAAVTXSENQTINL-UHFFFAOYSA-N 411.384 1.921 30 10 HDEE Cn1nccc1[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 799049496 PIZYNBVAFHZNTP-KRWDZBQOSA-N 415.519 1.993 30 10 HDEE C#CCN(c1nnc([C@H]2Cc3ccccc3O2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812168541 RKQQMIIAHGGIKT-FUHWJXTLSA-N 416.503 1.227 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1ccc(F)cc1 812747897 FWFLZQWQDZFDQY-HOTGVXAUSA-N 412.483 1.944 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 916711191 RDEXXUWWZNPTMB-GJEKEPIOSA-N 408.480 1.526 30 10 HDEE CCCOC(=O)CSc1nnc(NN=Cc2cc(OC)c(OC)c(OC)c2)n1N 1084378463 DXOZJOXWOTVNJY-UHFFFAOYSA-N 424.483 1.509 30 10 HDEE CC(=O)[C@H]1CC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)=NN1c1ccccc1 1124650011 CLHLXCSWGFTXJJ-QGZVFWFLSA-N 407.434 1.280 30 10 HDEE C#C[C@H](NC(=O)Cn1cccc(C(=O)OC)c1=O)c1ccc(Br)cc1 1129730163 DJKBWPAUOYLKEH-HNNXBMFYSA-N 403.232 1.888 30 10 HDEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1138133502 KWKZQGVDXYCSQN-FLIBITNWSA-N 419.478 1.887 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1138180900 FEXJPOORJNUSEW-WBVHZDCISA-N 412.446 1.656 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CCOCC2)[C@@H]2CCC[C@@H]21)c1cc[nH]n1 1141271921 NETIERVXFJBJNX-ZBFHGGJFSA-N 404.467 1.501 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 1146247690 PBWYMLFDMWTPND-ZDUSSCGKSA-N 418.519 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CCO)C(C)(C)C3)C2)C1 1154418986 GIKXDPOAILNQSC-PSCUFVCCSA-N 420.554 1.688 30 10 HDEE CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1156046194 ULVOLZVBKBOCOO-UKRRQHHQSA-N 409.508 1.709 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3csc(-c4ccc(F)c(F)c4)n3)C2)c(=O)nc1O 1159490119 LKAZLDJEXDXOTC-UHFFFAOYSA-N 415.381 1.919 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)sc2n(C)c1=O 1171218540 DCBNZMRPPUALLL-HXUWFJFHSA-N 409.471 1.391 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(C)(N2CCCCC2)CC1)c1cc[nH]n1 1177211700 LCTPWPMPALPXFO-UHFFFAOYSA-N 405.499 1.561 30 10 HDEE COCCCN(Cc1ccncc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1192070419 JYWOBCGERPNZIF-UHFFFAOYSA-N 420.473 1.889 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C1CCOCC1 1192798325 KEBLATMDCLCPMB-CYBMUJFWSA-N 419.272 1.394 30 10 HDEE C=C(Br)CNC(=O)NCCNC(=O)c1ccc(Br)cn1 1221565176 DKUYUZDHBFUAFE-UHFFFAOYSA-N 406.078 1.782 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1286376061 DWGIKODWPBDRNJ-HNNXBMFYSA-N 411.597 1.077 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl 1286396323 DMHKRIRMVKYMHL-AWEZNQCLSA-N 405.911 1.663 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1286455996 KYEUDDVRVGXFCR-KRWDZBQOSA-N 410.453 1.923 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(C)(C)C(=O)NC 1286465994 ATERNVLADSAMBR-UHFFFAOYSA-N 404.540 1.492 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)NC(C)(C)C)CC1 1286482802 ZSSPNDCDDQQALS-UHFFFAOYSA-N 409.538 1.324 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(C)CCCO2)CC1 1286491360 ONJHBXDBIYDQIS-HSZRJFAPSA-N 422.533 1.799 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1286622053 BQGWAGVBPIPNDI-AWEZNQCLSA-N 407.883 1.830 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286702790 WKANNQTXJGHLMR-QGZVFWFLSA-N 409.494 1.434 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCCCC1=O)C1CC1 1286739426 CFXVLRMMXNHSSP-UHFFFAOYSA-N 400.527 1.958 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1286772474 DYFUKGBBHKDVCM-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286787022 AOAIAFGYBGHGEW-HYDGNGQDSA-N 417.535 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CC2)C1 1286812562 QJLZHVOVEXUJHO-JMGYQRAPSA-N 407.540 1.093 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291488996 WNNFPTHHECBHTP-OOESYIKTSA-N 415.498 1.020 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1293713346 USZDXPUKAGJVOW-UHFFFAOYSA-N 403.548 1.951 30 10 HDEE CC(=O)NC[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1293750234 LGWWUZRSKLOAEG-MRXNPFEDSA-N 421.295 1.120 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1 1296871540 ZGPIRTDIILHOEP-UHFFFAOYSA-N 401.444 1.876 30 10 HDEE C=CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1298471739 QOHKVHZPDPLHAE-OWCLPIDISA-N 411.524 1.585 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cn1 1298810541 DRHSSKOPEYDHJR-KRWDZBQOSA-N 421.502 1.478 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(C#N)CCCC3)CC2)cc1 1300229794 VOYWIXMHRJABSI-UHFFFAOYSA-N 404.536 1.502 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1300286971 QWBQMKZROKZWBX-QGZVFWFLSA-N 421.509 1.101 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300367430 CRXQXUXLMKQLJB-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300421740 PZZDEPGNBCEMSX-MRXNPFEDSA-N 407.540 1.217 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOC1=O 1300459819 XCMZFVMGLVFFSX-UHFFFAOYSA-N 424.509 1.364 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCCNS(C)(=O)=O 1300472747 HSPTUWBPNDINDD-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)N(C)C 1300521376 WKVKVSYPOAJSNZ-UHFFFAOYSA-N 423.901 1.702 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(SC)CCN(C)CC1 1300664708 SNJJLCYYPRAFBS-UHFFFAOYSA-N 415.567 1.649 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1300682784 RBCSWYZUWYEHOZ-UHFFFAOYSA-N 423.565 1.611 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)SC)CC1 1300685172 IKHIEGZUZJSECX-PXNSSMCTSA-N 407.584 1.825 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300754072 HINAGRRLSXCUIR-UHFFFAOYSA-N 424.509 1.962 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(C(N)=O)CCOCC2)C1 1301554314 ZWUMICKALLTVON-OAHLLOKOSA-N 400.483 1.337 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)[C@H](C)C1 1301722638 UQJYHUMKPKFQDS-OPAMFIHVSA-N 424.505 1.679 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1([S@](C)=O)CCC1 1301810244 USMWNNGZIYCKIV-OLRZCDJHSA-N 409.556 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)c(O)c2)C1 1303453625 ZELNPIQTIYGFRB-HNNXBMFYSA-N 423.491 1.418 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 1303793179 WPOFEBQJZKCTGE-UHFFFAOYSA-N 409.939 1.952 30 10 HDEE CCn1cc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1313840392 RXJNICCWWDZSIQ-ZPHPHTNESA-N 410.482 1.535 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@@H]3CCC[C@H](C2)C3O)c(C#N)cn1CCOC 1324667201 UMPJPDFXGFMKEP-UUVAVEHKSA-N 404.467 1.808 30 10 HDEE C#CCC1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@@H]54)C[C@]3(C)C2)CCC1 1345902185 QWRUMKXHXKKDIH-NJCLPOECSA-N 400.519 1.538 30 10 HDEE COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 1353150123 LNXUORLQRGLMCT-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1358889493 CKKWYYITSGWCLZ-NVXWUHKLSA-N 409.556 1.649 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC12CCOCC2 1359018065 BTEYJZDHUZWLOD-KRWDZBQOSA-N 424.505 1.828 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCS(=O)(=O)CC2)CC1 1359169849 XUTSQXHRFDMHHQ-ROUUACIJSA-N 424.567 1.983 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1359228400 BPBOTUKHVVWWJK-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1359233908 VHYTWWWKRRJMMQ-HXUWFJFHSA-N 419.551 1.979 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1359332561 AOKSOGRYMSYVRI-INIZCTEOSA-N 407.544 1.491 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1359471983 DASKAZKGUPMYGP-SZNDQCEHSA-N 422.493 1.256 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1360475433 AQXPMIJLNZFALD-GDBMZVCRSA-N 403.508 1.867 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1435068112 DMSJVMFSKNCCEH-GOEBONIOSA-N 419.890 1.213 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)C2)nc1 1456067743 YKCARYZEHBSQDK-ZMYBRWDISA-N 406.446 1.327 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2COC(=O)N2CCC[C@H](C)C2)CC1 1460070684 MEWHEALFONVMSV-VQTJNVASSA-N 404.555 1.487 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)[C@H]2CCc3ccccc3[C@@H]2OC)n1 1463630342 COTPYTKBQWEPCZ-SFTDATJTSA-N 417.531 1.997 30 10 HDEE COCCCn1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 1464064414 GGDOXWGMCSWTRX-UHFFFAOYSA-N 407.478 1.922 30 10 HDEE N#Cc1c(CCCNC(=O)c2cnc3nccn3c2)nn(-c2ccc(F)cc2)c1N 1464099933 IJUIKJASEUKORQ-UHFFFAOYSA-N 404.409 1.871 30 10 HDEE CN(CCCn1cnc2c(N)ncnc21)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1469142655 CNZNHJLFFSSDGN-HNNXBMFYSA-N 418.461 1.182 30 10 HDEE C#CCN(C(=O)NCC1(N2CCOCC2)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1470032441 IDWZAOXOQFIXHK-UHFFFAOYSA-N 420.554 1.896 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)C[C@@H]1C2 1471103370 FYQGXOGLBCZGIW-GTQRCTGISA-N 422.489 1.900 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473867770 WZAUOHCXOVWRCQ-IBGZPJMESA-N 422.407 1.591 30 10 HDEE CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1474889000 GNOPPYBTEQEGOY-GFCCVEGCSA-N 400.298 1.858 30 10 HDEE CN(CCN1CCOCC1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1503619646 QPSPOLPTGQFJEJ-MRXNPFEDSA-N 400.483 1.453 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1503773326 RESIQLJBYYMWTQ-SJLPKXTDSA-N 410.478 1.195 30 10 HDEE CO[C@@H]1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1504473623 HOIQQZRUVBKSKS-GVDBMIGSSA-N 407.540 1.735 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1504969489 DIFNUSXNUXPORN-CZUORRHYSA-N 423.495 1.138 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CCO1 1505323881 ZDTZNXNQBRZTIV-IAGOWNOFSA-N 402.499 1.697 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507636171 ZTIRUFUABWVXSL-SFHVURJKSA-N 416.551 1.453 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507692533 WNCCIIZVZNNRFY-SFHVURJKSA-N 419.489 1.798 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(C(=O)NCC)CCC2)CC1 1507724040 DUXZMNLGZBDRPM-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)nn(C)c2C)CC1 1507726407 ILGWWAAXTCQNAU-UHFFFAOYSA-N 421.553 1.294 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507831812 FWPAHBKPIUQGKB-SJORKVTESA-N 424.567 1.778 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCOCC2)CC1 1507906454 IVCNHNVSHUDYOE-SJLPKXTDSA-N 402.543 1.600 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@@H]1C 1508083734 BISBZMXYDDFUMN-ZDUSSCGKSA-N 404.540 1.940 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2cncn2)CC1 1508086363 KVHATHRJNJIKIQ-UHFFFAOYSA-N 421.509 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(N)=O)CC1 1508142239 AIDVMZMUBKGAQW-UHFFFAOYSA-N 409.556 1.313 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCO[C@H](C)C1 1511853536 HRDJFRHIFUACDP-OAHLLOKOSA-N 411.510 1.622 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1515791601 ADGLPERTYCVJBP-INIZCTEOSA-N 405.466 1.178 30 10 HDEE CO[C@@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1517786164 DAWJGEORTXTVSS-RBUKOAKNSA-N 424.505 1.501 30 10 HDEE COc1cc(CNC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)ccc1C#N 1520629387 NIJSJAPHAOMUND-INIZCTEOSA-N 401.463 1.763 30 10 HDEE C=C1CCC(C(=O)N2CCC(N(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1521299541 ASMDEIUPHROBJI-TXVWBRJLSA-N 402.535 1.968 30 10 HDEE Cn1cc(I)c(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)n1 1521789588 NNAUJHNIMPJNNE-CYBMUJFWSA-N 419.226 1.895 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC1(CC(=O)N2CCOCC2)CCCC1 1527788371 ZFLKORIZWJTSSK-UHFFFAOYSA-N 406.523 1.989 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1528553118 UCYYRQPGNDRCCP-VLIAUNLRSA-N 419.865 1.745 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cnc(C2CCN(C(=O)OC(C)(C)C)CC2)o1 1532354786 ZWRPREGJUGMQPN-UHFFFAOYSA-N 406.439 1.928 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2ccc(Cl)s2)n1 1538540117 SDUONQKVHQIXSF-QFYYESIMSA-N 410.908 1.812 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1539015369 PLKVVYQJKYPTIF-HIFRSBDPSA-N 406.483 1.834 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1539212804 SYMSDRRQDNEIAW-AWEZNQCLSA-N 417.516 1.978 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539218934 ALVYBBXJLKURDY-BPQIPLTHSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539221870 RTADADSDOMTXBO-QGZVFWFLSA-N 402.524 1.528 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(C)(=O)=O 1539251395 FHEPAHMISXAPER-UHFFFAOYSA-N 402.476 1.080 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cc(C)nn1C 1539405478 AQSCGZCLNXPULV-UHFFFAOYSA-N 422.489 1.893 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccco2)C1 1539491334 OUYWILCWGVXGPP-INIZCTEOSA-N 403.508 1.954 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539627326 IYEHARFRACKGOM-NBMJBFSESA-N 416.526 1.900 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539637225 OKPCGMVMYOEINT-NSHGMRRFSA-N 416.570 1.565 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1540125970 DHTDQDFPGRREIC-PGRDOPGGSA-N 410.522 1.488 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1540172207 UDLRSTRMGPJEKD-UHFFFAOYSA-N 409.538 1.606 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](OC)C1 1540869351 KAAWEJYHCDALQS-AWEZNQCLSA-N 423.477 1.511 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CC)C1 1540874503 IOQUKMUCXLQUJL-QGZVFWFLSA-N 410.478 1.646 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1541247538 CMAUZYCFEWPYKH-SFHVURJKSA-N 410.522 1.746 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1542895080 ZFWQNBSTSBHGST-KDURUIRLSA-N 412.534 1.198 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)NC(C)C)n1 1543011281 FBERLNNKCLZQHR-CQSZACIVSA-N 422.559 1.063 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1 1555752611 DAUAORVPLBMIIN-OTWHNJEPSA-N 418.542 1.607 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1O 1555941089 VTKBSRQZBGHZDJ-QMMLZNLJSA-N 424.549 1.871 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C(=O)/C=C\c1ccc(F)cc1 1556993226 BDNUWVQBXLJBFZ-YWEYNIOJSA-N 424.425 1.732 30 10 HDEE C=C1CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1557457704 MSFMAHOZUUGLRQ-CQSZACIVSA-N 415.309 1.381 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CN(C(=O)OC(C)(C)C)C1 1557815131 KMQQGATWTLJUET-MRXNPFEDSA-N 407.511 1.696 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cn(C(C)C)c(=O)nc2O)ccc1F 1558079960 CLTIRROOQBBDDK-UHFFFAOYSA-N 424.454 1.063 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 1564417041 KPQPDNYSBGBPRU-YOEHRIQHSA-N 411.499 1.778 30 10 HDEE C[C@@H]1O[C@H](C)[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1C 1565205547 AVBZXJDMOSNOMU-AFIMGQEJSA-N 406.508 1.386 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1565316602 VTBPMFOFNLRASC-MRXNPFEDSA-N 400.483 1.794 30 10 HDEE C#CCN(CC#CC)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1566073384 MARXGQPBBVJRQY-UHFFFAOYSA-N 403.685 1.849 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(O)c(S(N)(=O)=O)c3)C2)c(F)c1 1567089647 OKPCICUIASFOBR-LBPRGKRZSA-N 404.423 1.515 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@@H]2CCN(Cc3ccccc3)C2)CC1 1568872411 VMKVOSRRFXMQJZ-HXUWFJFHSA-N 405.502 2.000 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cccnc1)C(C)(C)CO 1570774321 CNHNXHQMIJJPOR-KDOFPFPSSA-N 416.503 1.496 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]12CCCN(CC1)C2 1583054747 OQEVOPSAXWOBMD-LAUBAEHRSA-N 418.563 1.886 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cscn3)CC2)c1 1583355104 QRDNSPFZRYDUEZ-UHFFFAOYSA-N 408.480 1.537 30 10 HDEE CCOC(=O)[C@@H]1CSCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1586758448 NGFPEXNSRLCBNS-AWEZNQCLSA-N 400.453 1.244 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1587620504 GPTJMCGNZHNQBP-LHSJRXKWSA-N 408.462 1.857 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC(F)(F)F)CC1 1587878846 HIKJAWMNOXSSDQ-UHFFFAOYSA-N 412.460 1.888 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1588054943 QILUYLPUAYKXLG-LJQANCHMSA-N 414.531 1.713 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1593747295 TZKHHVQNAUROEI-SFHVURJKSA-N 416.526 1.993 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@@](=O)CC)CC1 1594191995 BRHJWEGLYLTUSD-SHZVTRLKSA-N 403.574 1.059 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1594819905 OLBHQPXOERIGDC-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595796986 CZVNFQKQEJMGGU-JXFKEZNVSA-N 424.567 1.921 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)cs1 1612411889 DOPZBIZFTDFDRS-INIZCTEOSA-N 415.523 1.421 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1614262206 QEQNGHHQPDFGCT-IAGOWNOFSA-N 410.478 1.623 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CCO1 1618692409 CYICBBSFHIYZBH-LAUBAEHRSA-N 410.478 1.337 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]2CCCC[C@H]12 1620056598 DQUDKMFIXCZPIZ-UAFMIMERSA-N 404.555 1.732 30 10 HDEE Cn1cc(C[C@H](CO)CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 1622299858 HSZZXSKEWLTZJG-LBPRGKRZSA-N 402.398 1.440 30 10 HDEE CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1623860753 CLPNLKCPNGTIBU-HNNXBMFYSA-N 405.455 1.118 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1 1623904997 DKYCFCRCNYCCAV-UHFFFAOYSA-N 400.460 1.416 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1 1626578440 LDYTXCUQFJEDDM-KRWDZBQOSA-N 424.544 1.124 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 1627800043 HJAHSLRTZZVNKO-XGHQBKJUSA-N 406.527 1.705 30 10 HDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)CC2(C#N)CCCCC2)C1=O 1628987323 HZQGATRDJVWMAG-UHFFFAOYSA-N 411.462 1.982 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(N(C)C)CCSC2)s1 1629292040 PMXXUIKNKZPQAU-INIZCTEOSA-N 403.595 1.308 30 10 HDEE C#CCN(C)CCCNC(=O)NCCCNC(=O)c1cccc(Br)c1 1630797518 CHZBCEMPQRPYAW-UHFFFAOYSA-N 409.328 1.823 30 10 HDEE C#CCSCCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1632028356 XCLDDGNDIKNGMB-CHWWFWEZSA-N 410.536 1.905 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)nn1CCC#N 1633071953 YRTREXUBGMXGDP-HNNXBMFYSA-N 418.498 1.807 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cc2nc(C3CCOCC3)n[nH]2)C1 1633661914 ATOGPDNEUKMGOH-UONOGXRCSA-N 404.471 1.116 30 10 HDEE C=CCN(C(=O)c1cccc(-n2[nH]nnc2=N)c1)[C@@H](Cc1ccccc1)C(=O)OCC 1634104515 YBIMLRLOXFYPMD-IBGZPJMESA-N 420.473 1.877 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c1 1634218209 LPCRQKFWKRBMPE-SJORKVTESA-N 422.503 1.194 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(I)cc1O)C(=O)OC 1635158924 OGDFOLGPGDIIDX-LLVKDONJSA-N 405.188 1.471 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)cc1 1635174630 LUFBQQJGVQBVSD-FQEVSTJZSA-N 415.515 1.946 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(c2ccc([N+](=O)[O-])c(OCC)c2)CC1 1635732906 HEFBBOQICOEHAZ-UHFFFAOYSA-N 403.483 1.780 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2ccccc2)CC1)c1cc[nH]n1 1637551141 DKHUDRYJMSRJMH-QGZVFWFLSA-N 400.435 1.684 30 10 HDEE Cn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(C(N)=O)n1 1637583741 QVLPUXJGINBUDE-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H](CNC(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1641812376 OERBFIZYBFVABX-CYBMUJFWSA-N 405.417 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4cc(C#N)cnn4)C3)[C@@H]2C1 1643095576 RSBWTNFSACDUHW-ZNMIVQPWSA-N 400.439 1.367 30 10 HDEE CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[C@H]1C#N 1643438825 PYDMPPOLCNUHFP-HKUYNNGSSA-N 405.520 1.791 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)c1 1643678401 RRXCYODBLPUQLD-FQEVSTJZSA-N 413.455 1.805 30 10 HDEE C#CCC1(NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)CCCCC1 1644640938 RVBOIDKGFPBSJV-UHFFFAOYSA-N 408.502 1.676 30 10 HDEE CSCC[C@@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)c2ccccc2C1=O 1647903761 CPYWAGHPYGXMFR-INIZCTEOSA-N 401.488 1.841 30 10 HDEE C#CCNC(=O)CCN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1648207920 AJDLOWOUDQHPMV-UHFFFAOYSA-N 401.507 1.610 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCS(=O)(=O)[C@H](C)C3)ccc2c1=O 1649082396 KDXJMCJPYIRTQV-YPMHNXCESA-N 407.517 1.567 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1OCCCO2 1650783053 ZXACTWSIPFWSJN-UHFFFAOYSA-N 401.444 1.915 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C2CCOCC2)C2(CO)CCC2)CC1 1653975960 NEZSKDZCDQKZHJ-FPOVZHCZSA-N 406.571 1.226 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1654737183 YQCMWLGOPCCQKP-HNNXBMFYSA-N 406.504 1.916 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(c3cccc(C#N)c3)CCOCC2)CC1 1655100358 IHIXCPVMQWAZEP-NRFANRHFSA-N 409.534 1.846 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1662927381 FCGOKWABWZFFKT-IBGZPJMESA-N 408.520 1.729 30 10 HDEE N#Cc1ccc(CCNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1 1663088845 HVCWFEVMTDRJTG-UHFFFAOYSA-N 419.528 1.864 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@@H]1CCCO1 1668796665 MJAWNOXBVNSDEK-KGLIPLIRSA-N 401.872 1.824 30 10 HDEE N#Cc1ccc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1 1673351274 LHODFTIATFLGGB-SWLSCSKDSA-N 402.398 1.604 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1684746901 QJJWWQLNDLVMTD-UTKZUKDTSA-N 409.534 1.754 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1689884378 SWXODSMFDHZUTM-GOSISDBHSA-N 421.549 1.933 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F 1689887110 PLSSIDOKQWFEHI-CYBMUJFWSA-N 406.441 1.526 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)OC)CC1 1689920658 GIFKPEURDSMROP-UHFFFAOYSA-N 420.477 1.724 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)C1CC1 1690010175 YXXLAIMTTVYODH-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1 1690015568 QQQOATFQMCBXSI-UHFFFAOYSA-N 408.506 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)C(C)(C)C 1690056461 TXFINGXVBASRTA-ROUUACIJSA-N 415.538 1.627 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1690072824 VPEDOYHBLUALCI-MRXNPFEDSA-N 404.474 1.997 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1cccc(F)c1 1690102660 RKSBGJCFRZAOEZ-YJBOKZPZSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(=O)NC)c2)CC1 1690119807 STEAAVZKFGAAGS-UHFFFAOYSA-N 415.501 1.503 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690167513 KRBNVLVXLXPLIR-HNNXBMFYSA-N 420.564 1.177 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690248254 LWTMMNPLGURUDJ-UWVAXJGDSA-N 416.570 1.611 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1690432556 GMMZBQSPNPUSKJ-HUUCEWRRSA-N 409.556 1.449 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690466950 HDPQDFAIYVFYDB-LJQANCHMSA-N 416.570 1.915 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690481798 PWNPXPSNPPLFEM-KRWDZBQOSA-N 423.525 1.436 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690659566 WRJUWDKISKCVMP-FGTMMUONSA-N 404.559 1.641 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1690670044 XCWNDYZFUNXLOL-QZTJIDSGSA-N 408.506 1.834 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1690678869 CTKVLSOVTGXKLR-MRXNPFEDSA-N 421.505 1.959 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)n1 1693414789 GOZQMBBUGUJRQC-OAHLLOKOSA-N 408.466 1.320 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1693489114 JECJICKUNLLTPZ-OAHLLOKOSA-N 402.480 1.089 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCOCC1 1694700634 RIQLRUOMQCLUMS-UHFFFAOYSA-N 411.510 1.486 30 10 HDEE CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1695556095 XQDXKIDARBNDGP-UFOSLELVSA-N 400.483 1.687 30 10 HDEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1696645939 PENDGGCRTHKXFT-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE CNC(=O)c1cccc(CCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1696932561 AFXKMFGDBJYVPF-SFHVURJKSA-N 417.473 1.671 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1698201667 YXCIMVUMENTHRN-RXVVDRJESA-N 413.478 1.210 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1705491126 YQOFWCANTSGXDO-CVEARBPZSA-N 415.494 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705504416 VTIJHIMDCPIZHZ-OAGGEKHMSA-N 414.514 1.798 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1705543775 RWIYPKCHBGTXCH-UHFFFAOYSA-N 408.506 1.911 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)(F)F 1705544506 SQHUVOIXQATMOL-UHFFFAOYSA-N 411.384 1.710 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705559431 AOGDUIQDXWUPCI-HUUCEWRRSA-N 409.556 1.191 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H]1C(C)C 1705574170 WWHORKSENMTMNC-GVDBMIGSSA-N 407.540 1.022 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705580722 PSTHAQYYFAUQBY-GOSISDBHSA-N 411.469 1.861 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1nncn1-c1ccccc1 1705585649 XSWZGYRAAORYNG-UHFFFAOYSA-N 414.473 1.102 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCNC(=O)C(C)C)CC1 1705641495 ICKPYNCCRFRGOV-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)CC1 1705704963 BACAXXLEWHCCHE-PKOBYXMFSA-N 417.535 1.480 30 10 HDEE CC(C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706323824 ZPQZMJIUIZRGHF-FBMGVBCBSA-N 400.483 1.545 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1706625095 FBLXKDZYHVXHMS-MRXNPFEDSA-N 411.466 1.174 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711148497 USGNPPJUTALEFK-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)ccc1Cl 1711664159 YZOXWUHLMFTRBD-AWEZNQCLSA-N 418.885 1.855 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 1712286099 TVCDKFKBYGWLTE-LZFQIVBZSA-N 424.505 1.535 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1712610555 BKVRTJSHTIYTBK-MOPGFXCFSA-N 424.505 1.585 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1712689533 UHAQPXOKXPUSHP-MRXNPFEDSA-N 401.492 1.355 30 10 HDEE CS(=O)(=O)CCCCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712696593 GOOFMNYUJNBOBE-GOSISDBHSA-N 420.583 1.622 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722331272 ARYRBSOOBYKYTA-UHFFFAOYSA-N 418.567 1.947 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1722349323 JBJWMBJKJAMDKF-UHFFFAOYSA-N 404.474 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCN(C)C1 1722380365 KOXUPMUAPQSBNA-QHCPKHFHSA-N 416.485 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCOCCS(C)(=O)=O 1722388712 IGERDKOCOAVHIV-UHFFFAOYSA-N 404.492 1.371 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H](C)N1CCOCC1 1722420095 FSCWGFSUGLZQLD-SFHVURJKSA-N 413.522 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@](C)(O)c2ccccc2)CC1 1722436829 LSMJVCZWDCFNBQ-AUSIDOKSSA-N 422.533 1.282 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1722675390 OTLKKOXSMGKOBM-UHFFFAOYSA-N 421.505 1.554 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC2(CCC2)C1 1722725033 CFVSEUQISNYLRL-UHFFFAOYSA-N 403.508 1.700 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)C[C@H]1CCCO1 1722727541 MLFWBJVQCCDLGX-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE CCN(CC1CC1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1728454318 JRGNQNNEBFCMRF-FBMGVBCBSA-N 415.498 1.179 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1729222989 UQCGCKWCAFWGGJ-HUUCEWRRSA-N 418.523 1.370 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCC1 1730871728 WLXGBXBVWUAENZ-WMZOPIPTSA-N 418.542 1.484 30 10 HDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1731046592 AILJVPDQPJVFDB-ZFWWWQNUSA-N 400.508 1.792 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1731063174 CMUOEYCOPKCQBB-SUMWQHHRSA-N 408.503 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740549638 NESPPZIVJKLZBR-DFQSSKMNSA-N 422.533 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@@H](C)CC 1740639197 SVAMRQLTOFFJMU-HNNXBMFYSA-N 410.478 1.383 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1740663693 QBSWXWZREFBQPH-IBGZPJMESA-N 410.540 1.357 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCOC1 1740686705 WQOOMIJROMQUDW-RXVVDRJESA-N 414.462 1.028 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740718509 PUXSZPAKMDZBBM-MIALQEHNSA-N 406.552 1.921 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCOCC1 1740734268 WVYWVABTQWMETG-LAUBAEHRSA-N 400.527 1.113 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1740750152 MOBKNBJHKQSUOK-ROUUACIJSA-N 403.527 1.704 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC)CC1 1740765341 UYOUJHLIQZORKR-BBWFWOEESA-N 405.499 1.999 30 10 HDEE CCOCc1nnc(N2CC[C@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1747107302 NVXFZFJMVIEKGA-MRXNPFEDSA-N 400.483 1.486 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1748780882 PBUXOADWISDFIH-HNNXBMFYSA-N 411.462 1.238 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748799491 UNXULBBUSQXPCA-KRWDZBQOSA-N 417.535 1.516 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748811648 JSVYNOIKSMPOJL-IRXDYDNUSA-N 417.535 1.337 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748926866 XAMUOJKFPIELSU-MRXNPFEDSA-N 419.526 1.925 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCNS(C)(=O)=O)CC1 1749312895 XDUWZSSHSZJYCL-UHFFFAOYSA-N 405.524 1.871 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749427865 VOCMNDPYBKGWEY-SJLPKXTDSA-N 418.567 1.949 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1749470958 FKSXXXAUTZXFFO-UHFFFAOYSA-N 415.523 1.897 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C(C)C 1749666507 MNBJDZQOPXGAJI-UHFFFAOYSA-N 419.555 1.775 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749672537 XFOQJYZBOUAMLI-QZTJIDSGSA-N 404.559 1.326 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1749721141 BBXOENXJKXWDTL-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1750580566 GLYDSZIKVYYWTJ-ATZDWAIDSA-N 409.556 1.717 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N[C@@H](C)CC)CC1 1760258600 PHKRKKDHGKUCMU-SFHVURJKSA-N 419.533 1.877 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNc2ccccn2)CC1 1760262703 XDTOVLBMLFAZJV-UHFFFAOYSA-N 416.533 1.916 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1760294712 DXONMGOJKUBVEG-FUHIMQAGSA-N 405.568 1.657 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760438419 GYLHNVUPCYUNMS-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760511844 KXGYTVAZICGRJU-NRFANRHFSA-N 417.517 1.799 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)C1 1760545261 QVYXVQYMWQRSCJ-DLBZAZTESA-N 418.542 1.121 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)C)C1 1760547679 PFRLNYQJSDRXMF-INIZCTEOSA-N 415.494 1.735 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(C)(C)OC(C)(C)C1 1760553585 FNJRKKIKUZCMKX-UHFFFAOYSA-N 420.539 1.730 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760936543 ZIILTMHTDMGWBD-CABCVRRESA-N 416.448 1.783 30 10 HDEE C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1761418080 AKOMTTVBFLTIBV-RDJZCZTQSA-N 402.524 1.380 30 10 HDEE CCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762964388 VMDSJQUPVDTFDF-FMQUCBEESA-N 424.509 1.484 30 10 HDEE CCCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1764414905 ZEMCRLTVWFQLHV-OXJNMPFZSA-N 403.506 1.793 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1767504039 VWVULZCEWUDARS-HNAYVOBHSA-N 411.422 1.060 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1770052311 ROOLMXCWYSMODB-IDHHARJASA-N 421.523 1.700 30 10 HDEE CN1CCN(CCCON=C(N)c2nnn(-c3ccccc3)c2-c2ccncc2)CC1 1848551256 HQEOGKINLSACOA-UHFFFAOYSA-N 420.521 1.604 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1848821321 VEWFUTMJIMXNBC-OAHLLOKOSA-N 422.526 1.719 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC#Cc3cnn(C)c3)cc2)C1 1850309678 JPWAYOWTZREMCE-CALCHBBNSA-N 414.531 1.868 30 10 HDEE Cc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC(=O)N2C)cc1 1851111998 KGXVSWXUKNERCK-ICSRJNTNSA-N 404.474 1.525 30 10 HDEE CCN1C(=O)CN(CC(=O)N(c2ccc(OC)cc2)c2nccc(OC)c2C#N)C1=O 1852279186 UYNXYVZRMPAOAW-UHFFFAOYSA-N 423.429 1.919 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccccc2)CC1 1853600802 GKDWYTVVURPTBC-UHFFFAOYSA-N 407.492 1.252 30 10 HDEE Cc1ncn(CC(=O)N2C[C@H](C3CCN([C@H](C)CCC#N)CC3)CC2=O)c(=O)c1C 1853935297 IMIHJYRJSBBIOS-DNVCBOLYSA-N 413.522 1.640 30 10 HDEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854036867 DODXUHZZAGQQOW-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@H]1C 1854311013 AYVGKCXAFKQXHP-HUUCEWRRSA-N 411.549 1.394 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)COCc2ccccc2)CO1 1854869267 BEOLLNQUUNXFJY-KRWDZBQOSA-N 402.428 1.623 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)CC1=O 1855010891 UKASRICYGOLXBZ-PKOBYXMFSA-N 400.523 1.233 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1855164022 USPHKEAQEMSEFP-LJQANCHMSA-N 423.579 1.750 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 1855421467 SRWRGNHQYBMYQN-CVEARBPZSA-N 400.454 1.789 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1855597836 KYJGOURWRKNGLM-MSOLQXFVSA-N 409.490 1.720 30 10 HDEE CCC[C@H](F)C(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856097704 PNKZJQMDYWWIFT-OALUTQOASA-N 414.481 1.624 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(C(C(C)=O)C(C)=O)c3ccccc32)CC1=O 1856471562 XWLIRJXTTXEYKR-MRXNPFEDSA-N 411.458 1.337 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(CC3=NCCO3)c3ccccc32)CC1=O 1857071179 FGWQOYAGUQSAKD-JKSUJKDBSA-N 410.474 1.608 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C)C(=O)C3)ccc21 1857368044 BFNGSYFHVIRMEF-CQSZACIVSA-N 419.503 1.167 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](CC)CO)c(C(=O)OCC)c1C 1860760636 AZSUBXJNIOYPAR-LLVKDONJSA-N 412.464 1.402 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(O)cc2)c1 1862556378 VMZIUTOBDWAKNX-FQEVSTJZSA-N 423.469 1.885 30 10 HDEE N#Cc1ccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCNC=O)C2=O)cc1 1863238454 MUWZIBIEEKDEQO-UHFFFAOYSA-N 419.397 1.795 30 10 HDEE CCCCCCCCn1cc(OCCO)c(=O)cc1CN1CCN(CCO)CC1 1870368883 XFFIMGLRKQFNHQ-UHFFFAOYSA-N 409.571 1.690 30 10 HDEE C=CCOc1cn(CCCCCO)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870812629 GGHLNGCQQSZWFC-UHFFFAOYSA-N 421.519 1.835 30 10 HDEE CCc1nc(C2=C(N)N(c3ccc(C(=O)OC)cc3)CC2=O)sc1C(=O)OC 1872724600 LWCGWHPNMGTPAE-UHFFFAOYSA-N 401.444 1.995 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1 1891243944 YZEOLDJCRJXFLJ-UHFFFAOYSA-N 405.437 1.560 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1896955088 NFWBHKPITAGWNF-CKNLXJGOSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2012912352 PEKGEIKQYXNSQG-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE C#CCn1ncc(N[C@@H]2CCON(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2043985564 WPJSVOOXSVRNKT-LLVKDONJSA-N 413.272 1.992 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#N)nc1 2046026185 PEWVGQUZHOIITK-SFHVURJKSA-N 402.407 1.719 30 10 HDEE CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CC[C@H](C#N)C1 2118165952 GNJHUGUHTSWSEF-MNOVXSKESA-N 400.423 1.464 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC(C)(C)C#CC(=O)O)C1 2138046202 ZTZJXZQALCVIKS-IERDGZPVSA-N 402.447 1.785 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174770821 BUDYMVFCPYLHAC-HNNXBMFYSA-N 400.545 1.493 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174789571 RXBNGZZZAQUSRB-PTFIGZPYSA-N 414.509 1.749 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243429995 KZKDBYBEUZFJFO-HUUCEWRRSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243686578 NZMMLCQYOJGVMX-UHFFFAOYSA-N 407.320 1.194 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247814690 TXVGVKJEAWJPMQ-MPBGBICISA-N 418.303 1.448 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCCNC(=O)OC(C)(C)C 2247838811 NPUUYWLCRIXJHJ-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H]4C3=O)cc2Cl)OC1(C)C 2267353495 DRJBSCPAMKBOGG-IUCAKERBSA-N 403.718 1.868 30 10 HDEE Cc1nsc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n1 2267416556 RCMBYTFJFAWKFL-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCCO[C@@H](CN)C3)sc2Cl)OC1(C)C 2281967689 ZVQLLYSVMMEMKL-NSHDSACASA-N 400.737 1.891 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCCO)C2CCC2)OC1(C)C 2282340275 DCPDGUIPDACGAY-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C 2282351843 GWJHHRARZTZXEC-STQMWFEESA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)OC1(C)C 2282410474 XBBBFGHLZQKZOX-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCSC1 2282502304 JGGYWZYHIPMYSO-NWDGAFQWSA-N 401.363 1.139 30 10 HDEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(C)(=O)=O 2282823578 WAUNOPKVWOGRIR-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC(F)(CO)C2)OC1(C)C 2282829813 KPKMPSVNNLEXPN-UHFFFAOYSA-N 405.684 1.344 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N=[S@@](C)(=O)N(C)C 2282831852 FOPMHIUBEVVQFC-RUZDIDTESA-N 402.347 1.557 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](N)CC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282836383 IZKLJSIMZXWCDF-QWHCGFSZSA-N 400.375 1.856 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 2282872901 DALIRYQMWKFIJE-UHFFFAOYSA-N 401.721 1.954 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NS(=O)(=O)C1CC1 2284393152 HIZKPALATBMHCQ-UHFFFAOYSA-N 401.315 1.065 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@@H]2C(=O)O)OC1(C)C 2284406777 CGMBQVPYVBEBGB-JQWIXIFHSA-N 401.315 1.579 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)NCCc2cccc(I)c2)C1 2289467623 NPZNEUUMJSAJPT-LBPRGKRZSA-N 405.261 1.514 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3COC(=O)C3)ccc2Cl)OC1(C)C 2296242896 FVOJZVDAELOULX-JTQLQIEISA-N 401.677 1.233 30 10 HDEE C[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300274553 TTWZUVNDOUSCBW-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE C=CCC1(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CNC1 2316868426 XJJJKAYBHNDTLZ-UHFFFAOYSA-N 405.520 1.681 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2NCC2(S(N)(=O)=O)CCC2)OC1(C)C 2364869359 UFDVHIFQCWMDTR-UHFFFAOYSA-N 401.725 1.657 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812926 YISCJXBTXAMBHM-OWCLPIDISA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367813386 CWNWPLGANKNASL-JONQDZQNSA-N 400.541 1.339 30 10 HDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20292608 FFYBURBLZOZODJ-DJKKODMXSA-N 413.423 1.472 30 10 HDEE C=CCn1c(SCCO)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 24632770 DJJLYXJFYXPQSH-UHFFFAOYSA-N 410.521 1.236 30 10 HDEE Cn1nc(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c2ccccc2c1=O 26016830 ILHZSXMUGPDZNN-UHFFFAOYSA-N 405.433 1.836 30 10 HDEE C=CCn1c(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)nnc1-c1ccc(F)cc1 253571241 OSCKFIDLZQANSP-UHFFFAOYSA-N 413.438 1.695 30 10 HDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1 253578254 YCKMFHLWGAPTND-GIDUJCDVSA-N 409.384 1.229 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 409699987 IWAVMKSMHFUYOA-ZWNOBZJWSA-N 408.340 1.531 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435163561 BGUIDVMCRNGQIS-UHFFFAOYSA-N 413.425 1.817 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 442972930 MIDUHXZREASYBE-RJYAGPCLSA-N 409.490 1.982 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(F)c2Cl)CC1 473914953 XNHWRDNUYYOKEJ-UHFFFAOYSA-N 410.298 1.741 30 10 HDEE COCCCOC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 480479441 PVFCGXLACMDTOK-UHFFFAOYSA-N 421.519 1.223 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 487126384 VAPYWKFPXOUUQW-KGLIPLIRSA-N 413.430 1.916 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 494368841 NNSOTQXGRQYQQU-MRXNPFEDSA-N 400.357 1.458 30 10 HDEE N#CCCn1ccc(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n1 501383678 JOFSEPUPIZEJBM-UHFFFAOYSA-N 400.464 1.405 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4Cc5ccccc5O4)n3C)CC2)c1C#N 508778673 LWAXGCYLUYBSDJ-GOSISDBHSA-N 404.478 1.732 30 10 HDEE CCN1CC[C@H](N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 525029444 SLQRBIHTKMQMFG-SNRMKQJTSA-N 411.506 1.952 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@H](NC(N)=O)C3)s2)cc1 534966904 ITJPDVJHJJBHMI-LBPRGKRZSA-N 403.493 1.977 30 10 HDEE COC(=O)Cn1cc(CCOc2ccc(C#N)cc2I)nn1 538638739 MUMDLSGKRASKFZ-UHFFFAOYSA-N 412.187 1.549 30 10 HDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 542216734 PGMXKAFOPOGHJA-UHFFFAOYSA-N 413.528 1.205 30 10 HDEE C[C@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 546172413 QEYGCUQVFPNUTC-MRXNPFEDSA-N 405.458 1.806 30 10 HDEE Cc1nccc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)n1 553861502 JGGUXYTVTMGKQO-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 555272282 MIUGQPUDGXZBCP-AEFFLSMTSA-N 404.559 1.930 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCCO2)CC1 555459283 PTLNIIRYYBVYLU-HXUWFJFHSA-N 424.549 1.938 30 10 HDEE COc1ccc(C(=O)N2CCCCCC2)cc1NC(=O)NCCn1cnc(C#N)n1 558321555 IOELQOSUBHIEAT-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 571472914 ZBRCWTFTDXYISJ-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)on2)c1 572468625 KPUDCWCLDWAMJB-UHFFFAOYSA-N 400.460 1.900 30 10 HDEE N#Cc1csc(CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)n1 578268472 LHDAFLTYHLOSGQ-UHFFFAOYSA-N 405.505 1.513 30 10 HDEE N#Cc1ccc(CN2CCN(CCn3nc(-c4cccnc4)ccc3=O)CC2)cc1 585588232 IYILAHUVUKIBON-UHFFFAOYSA-N 400.486 1.995 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 609459048 OVELYKFCLZYXQY-SJORKVTESA-N 424.592 1.984 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(Cc2n[nH]c(C)n2)CC1 611431075 MGZDHSTWIRRPLC-INIZCTEOSA-N 411.510 1.575 30 10 HDEE C=CCOCCNC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 679555570 MEAZQTPZHYVKOP-UHFFFAOYSA-N 424.505 1.692 30 10 HDEE CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 729885112 VUDOGZJFTYDKIO-UHFFFAOYSA-N 419.434 1.376 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)ccc1F 732174646 GZCNKRZUFKJBJA-INIZCTEOSA-N 423.510 1.765 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCCCC2=O)cc1 732453451 XLZRSIBMQMFWQX-VXPUYCOJSA-N 411.462 1.529 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)c1 734770588 MUSYYKTYNXRLHN-UGKGYDQZSA-N 405.454 1.951 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C1CC1 742296136 SUCMCVIXUCUEPH-GFCCVEGCSA-N 415.269 1.718 30 10 HDEE Cn1cc(C[C@@H]2CC(=O)N(CN3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 746378764 VOYDECLHLYPXDI-GOSISDBHSA-N 407.474 1.710 30 10 HDEE CC(C)(C)NC(=O)CN1CCN(C(=O)CON=C(N)c2ccc(Cl)cc2)CC1 749787573 RXLRGKIXSKBABE-UHFFFAOYSA-N 409.918 1.036 30 10 HDEE C#CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 751274339 UQKKBCZCUPKQJB-NSHDSACASA-N 401.238 1.620 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(F)cc1 756284968 BUOTWBWOEVWKKY-CYBMUJFWSA-N 424.475 1.921 30 10 HDEE CN(C)C[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 756933897 YBQUPQHHQKRYNZ-INIZCTEOSA-N 406.552 1.838 30 10 HDEE CC[C@]1(C)NC(=O)N(CC(=O)Oc2c(Br)cc(C#N)cc2OC)C1=O 769722373 YAMJQSGXGYKCAD-INIZCTEOSA-N 410.224 1.955 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)[C@H]1Cc2ccccc2O1)c1cc[nH]n1 772439812 XSOYXKXHOJPGPX-CXAGYDPISA-N 400.435 1.544 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@@H]1CCCO1 773556290 IQDCGCWPCGLUBR-OALUTQOASA-N 405.520 1.592 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccccc1OC)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152241 GWDVGDFEMWUMKX-YJBOKZPZSA-N 416.503 1.350 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccnc(N(C)C)n2)C1=O 775658812 STQLZVQGPWOYAS-INIZCTEOSA-N 423.502 1.682 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 780939005 GLKANKWEGZCNBB-RTWAWAEBSA-N 404.470 1.541 30 10 HDEE C#CCN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 784338907 DCVYBCRNMATMIZ-LSDHHAIUSA-N 420.300 1.450 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCc3sccc3C2)cc1C#N 789725700 VJNWDCSVVFWHKC-CQSZACIVSA-N 412.515 1.808 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC#Cc1ccccc1 791315958 RGXMINCVABBAJK-MRXNPFEDSA-N 414.483 1.650 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)n1cnc(C#N)n1 798397615 JCWVESDEYBJRCO-DOTVFMQRSA-N 401.452 1.162 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)c1ccc(C#N)cc1 803468066 QEZZQKPWORWYQD-AVRDEDQJSA-N 408.410 1.723 30 10 HDEE C#CCN(C(=O)NCc1ccncc1OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 807434640 VUPDNQMQMRXPJS-LJQANCHMSA-N 413.499 1.993 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807929575 KWNFUZXKXLDSGU-GOEBONIOSA-N 423.560 1.887 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(F)cc1 812936674 TZQNKGWXCLOQOK-IBGZPJMESA-N 424.480 1.658 30 10 HDEE COCc1nc(Cl)cc(NN=Cc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)n1 814978517 JYGRNHOFTLTKKK-GFCCVEGCSA-N 412.903 1.895 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2cc(C)n(-c3ccccc3)c2C)c1=O 916198726 DBDVOQVSHFKIGJ-UHFFFAOYSA-N 404.495 1.990 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2nc(Cc3ccccc3)no2)CC1 921120995 VKKAQCJKYGEKKZ-UHFFFAOYSA-N 403.446 1.959 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1136704385 UUOJWKLGBCCDNC-CVEARBPZSA-N 405.296 1.684 30 10 HDEE Cc1ccc(C(=O)N(CCS(C)(=O)=O)C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1137589642 PFHJKMOEDJABGI-UHFFFAOYSA-N 407.341 1.943 30 10 HDEE CCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CC(=O)N(C)C1=O 1155354676 NGPQVQNHSIVJFE-MRXNPFEDSA-N 405.495 1.633 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1155872633 ANYVXHAZMLUTCI-UHFFFAOYSA-N 417.575 1.918 30 10 HDEE Cc1cc(O)nc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1164368944 IKFFQZZJFKPTPR-UHFFFAOYSA-N 417.491 1.406 30 10 HDEE CCOC(=O)c1nnn(C2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c1C(F)F 1175228581 HUVDDBIZQLAHTM-LBPRGKRZSA-N 424.452 1.980 30 10 HDEE N#Cc1cnc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1 1184811877 MMDNZJZUTNOTFG-UHFFFAOYSA-N 405.411 1.948 30 10 HDEE COC(=O)N1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1186410802 DHMYDCHWVDTIGN-SNVBAGLBSA-N 420.260 1.969 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)CC1 1186527004 HQPUZKJROYQHKQ-UHFFFAOYSA-N 418.422 1.771 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C1CCOCC1 1192786895 GHMYXKPYQSVMOB-ZDUSSCGKSA-N 416.293 1.927 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 1254483226 WWWVIUZGKDJIKR-WKILWMFISA-N 410.478 1.960 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286346984 FLVBXJDWKYXLOS-IRXDYDNUSA-N 414.510 1.700 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286384932 KSOJOJQYHSVPPM-ZACQAIPSSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1286388091 XXFVTSAIKHZNRJ-OAHLLOKOSA-N 405.524 1.715 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCOC)cc1 1286407744 QCVSBDBYAHLERX-LJQANCHMSA-N 407.474 1.376 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnn(C)n1 1286440874 MMZKBPKJNYHEEV-UHFFFAOYSA-N 410.482 1.772 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CC[C@H](N2CCOCC2)C(F)(F)F)CC1 1286480002 ZGLBNOCQJARSGU-INIZCTEOSA-N 414.476 1.249 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)CC1 1286567341 UWMOZJOEXJSGEF-IEBWSBKVSA-N 401.536 1.814 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286803583 FAJRRSPXEBIRKC-ZJYNUGOYSA-N 423.477 1.581 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1292156979 KPZBUQODXQTEMX-QGZVFWFLSA-N 400.479 1.673 30 10 HDEE CCN(CC(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1295285226 LWBJYUYFPAKGAJ-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)OC(C)(C)C 1300432050 RFFYJWDOHFNKQD-FQEVSTJZSA-N 407.515 1.913 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)N2CCCCC2)CC1 1300695713 HAOPTYQKFOWFHN-LJQANCHMSA-N 410.570 1.698 30 10 HDEE Cn1ncc(C2CC2)c1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1300962898 SGOORHCTOVUDKY-UHFFFAOYSA-N 401.492 1.433 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1300994358 RDSBJVQJXGUQDW-OAHLLOKOSA-N 404.540 1.928 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)C1 1301557310 ODDHMUNDCJAHHA-IRXDYDNUSA-N 403.527 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1301576776 BGKJOZLIESCKOY-ROUUACIJSA-N 413.503 1.785 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1301970005 BBYHLFDZKLCXJC-KRWDZBQOSA-N 421.505 1.736 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1304537794 DJNGDEQTSDDXFL-MRXNPFEDSA-N 415.519 1.807 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1C 1305986149 ABGHTZWXUYGIHB-INIZCTEOSA-N 408.466 1.325 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)C(C)C 1306844408 LCMQCFITXCOIRW-IBGZPJMESA-N 414.510 1.444 30 10 HDEE COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nnc(-c2ccccc2)c1C#N 1307404250 CGJAWFWGBAXEIG-GOSISDBHSA-N 401.426 1.943 30 10 HDEE C=CCN1CC[C@@H](N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1=O 1308027937 IUWSEXUJBIUQOS-HZMVEIRTSA-N 420.510 1.288 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C 1309079503 MYDCQQYXRCJYPE-GDBMZVCRSA-N 424.544 1.358 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCC(C)C 1316298342 VVWANSYUSFCMKF-BZSNNMDCSA-N 407.515 1.794 30 10 HDEE C=CCO[C@@H]1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1323728917 MZXUXOZVMPNMNQ-RBUKOAKNSA-N 421.563 1.493 30 10 HDEE C=CC(C)(C)CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cnn(C)c1 1344329355 LEYLSLOIANUKHI-BHQCHZOVSA-N 412.534 1.856 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1358929572 CSSVOKQCZUTEDL-IAGOWNOFSA-N 407.540 1.261 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CCOC 1358979438 MNLPYOAPZXFCEB-HXUWFJFHSA-N 409.490 1.442 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CC1(C(N)=O)CCOCC1 1358996957 ZGFLLCPFWPISMO-UHFFFAOYSA-N 419.529 1.808 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCn2cncn2)CC1 1359038714 HKZQNFLDXAQODW-UHFFFAOYSA-N 406.494 1.212 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(C(=O)NC)c2)CC1 1359041235 QNOATGRYIQFUGW-UHFFFAOYSA-N 422.533 1.775 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1359286508 VUVRBTUSOZLHCM-UHFFFAOYSA-N 410.526 1.446 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 1360843023 AVHUPPLIWJTQLT-YADHBBJMSA-N 424.505 2.000 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)CC2)c1 1440872896 BENSRTVMAAMQCY-UHFFFAOYSA-N 417.516 1.042 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)CNc2ccc(C#N)cn2)CC1 1441562758 IBVSSYKCGBXDMP-UHFFFAOYSA-N 402.499 1.424 30 10 HDEE CCC(=O)N1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1446068993 HYYDVSFSWOQDCM-HNNXBMFYSA-N 405.296 1.884 30 10 HDEE Cc1cn(C2CCOCC2)nc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1448853905 ZDPOHTSSMSUTHO-IBGZPJMESA-N 407.474 1.946 30 10 HDEE C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1449133281 MFQAVXWCDXAWDF-CQSZACIVSA-N 406.442 1.670 30 10 HDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)cc1 1454223628 FQWHWLGRXUMYLL-UHFFFAOYSA-N 418.450 1.887 30 10 HDEE CN(c1nc(N)nc(C(F)(F)C(F)(F)F)n1)[C@H]1CCN(CC(F)(F)F)C1=O 1458177956 CVORTEZFTXDJRA-YFKPBYRVSA-N 408.253 1.707 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1F 1458473655 RIANHBKAJAAGEG-UHFFFAOYSA-N 419.438 1.762 30 10 HDEE COC(=O)c1cc(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)no1 1460672794 GVFCZCAQBJCPBI-UHFFFAOYSA-N 407.426 1.940 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1460819352 KLILDRSQLWHUTC-CQSZACIVSA-N 417.487 1.445 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sccc1S(=O)(=O)N1CCCC1 1461388030 OIHHXMCTLAAFAQ-UHFFFAOYSA-N 412.533 1.950 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1cccc(C#N)c1Br 1461636753 OABZVIHCPUHMTQ-YPMHNXCESA-N 409.236 1.888 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1462999912 UAANKVXWEDLXEP-BONVTDFDSA-N 415.880 1.737 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1464940421 STRWELIFAWWCEI-ICSRJNTNSA-N 400.523 1.444 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1467530457 QCBJXKDEFHDJMI-QRWLVFNGSA-N 407.467 1.884 30 10 HDEE C#CC1(O)CCN(C(=O)c2cnn(C(C)(C)C)c2I)CC1 1470364588 DQLZKQTZVLJMIL-UHFFFAOYSA-N 401.248 1.843 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)C1 1471336279 KLYVHPPRDROZGD-KRWDZBQOSA-N 414.506 1.269 30 10 HDEE C=CCOCCCNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1475503601 XAZXXGJZPHDEFR-UHFFFAOYSA-N 405.274 1.371 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1 1475618484 VQXKWOXZRVZLTJ-NSHDSACASA-N 402.341 1.439 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccncc3Cl)CC2)c1C#N 1492727889 LITBDURKSLPFJE-UHFFFAOYSA-N 411.901 1.923 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1493170199 RJKVOYISMPKDGY-QFBILLFUSA-N 424.505 1.679 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493236001 UWBQIUKIEGAGJF-DMIMOZFVSA-N 422.493 1.744 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1494105839 DUSNEASOICEFMW-MLNJSSBLSA-N 412.519 1.395 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507622870 MOWPMISFFYOGEE-CVEARBPZSA-N 423.583 1.581 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1507678273 FXDWVKKQKCJZRH-APWZRJJASA-N 410.540 1.213 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)cc1 1507695579 ZRXZNYJYQMMUCQ-UHFFFAOYSA-N 408.506 1.598 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCS(C)(=O)=O 1507704481 DIFBMYPIXRRZLG-UHFFFAOYSA-N 414.890 1.868 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(F)c1 1507712385 FVZMZHIDPWNFNA-QGZVFWFLSA-N 401.442 1.533 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOCC2CC2)CC1 1507726355 IGHDBNSSRVLIHC-UHFFFAOYSA-N 411.554 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@@H]2CCOC2)CC1 1507737124 ZTJAJOWROKPXHL-QGZVFWFLSA-N 410.522 1.676 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1507754503 NBHFVNYJFLQNQQ-INIZCTEOSA-N 407.540 1.181 30 10 HDEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507835315 VCSIJQMMETVIFJ-BBTUJRGHSA-N 405.543 1.663 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507904563 YYADUJUNOOGIIS-JKSUJKDBSA-N 421.567 1.497 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507935093 KRRXTEUNYWIKRM-CABCVRRESA-N 401.471 1.855 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1507952434 UCOYNMUKRMYHCI-AWEZNQCLSA-N 402.524 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508075243 VWVSZGGUDBSUHT-AEFFLSMTSA-N 410.522 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508137738 QQPKKVYRJDTREV-INIZCTEOSA-N 415.523 1.051 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1515104936 XYWQMAMMLHFFDW-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1517434065 GYFUIJOQKUJUBA-UHFFFAOYSA-N 419.493 1.509 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@]2(CCS(=O)(=O)C2)C1 1526184425 CXUMVTPXCQMHJN-FQEVSTJZSA-N 415.519 1.578 30 10 HDEE CCC(C#N)(CC)C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1531449110 ONMZYWAERAKRIB-UHFFFAOYSA-N 407.492 1.639 30 10 HDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)c1ccccc1 1537005673 LCZAGEKGPSIKOX-PWIZWCRZSA-N 401.488 1.078 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1539148037 GIQSIBHXWQGCLW-ZBFHGGJFSA-N 402.524 1.473 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1ncn(C)n1 1539154776 NGTXSCCMBYNIEP-UHFFFAOYSA-N 416.283 1.962 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1539179552 PSQRZCHSAUWSDK-ROUUACIJSA-N 401.536 1.553 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539220320 IMPMOJGOBHARLG-QGZVFWFLSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(CC)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1539221193 YRXAQLGGYIQZGZ-KRWDZBQOSA-N 404.540 1.371 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCO[C@@H]1C 1539290325 DRVRXYFEXSOVGX-IIBYNOLFSA-N 401.511 1.199 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC)OC 1539307451 SOTJKVMYRGUXAD-IBGZPJMESA-N 404.478 1.809 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)NC(C)(C)C)CC1 1539445687 CEYCEELLSIGBKO-UHFFFAOYSA-N 409.538 1.709 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540858167 KIVZLLNJGHIINU-JKSUJKDBSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1540868673 NGWYAHGHRLQIOP-MSOLQXFVSA-N 414.473 1.781 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@H]1CCOC1 1541798449 JNCGGAZNCDYITB-CVEARBPZSA-N 413.482 1.859 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1541801981 ICJPGLFFVSTEKO-AWEZNQCLSA-N 409.494 1.547 30 10 HDEE Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)C2 1544572691 VGCXHKMHVJSLIB-QRQCRPRQSA-N 405.458 1.866 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCn2ccnc2C1 1555556579 DONAZVNOOJCKLM-JKSUJKDBSA-N 412.498 1.055 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)c(=O)nc1O 1557599487 AIIXFQFCYBNHTC-UHFFFAOYSA-N 419.228 1.743 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC2CCC(c3ccccc3)CC2)CC1 1558072920 HRGLTVQFYXIIAG-UHFFFAOYSA-N 403.548 1.962 30 10 HDEE CCOC(=O)C1([C@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCOCC1 1558620640 DQVBJBTYMJUIEW-AWEZNQCLSA-N 411.462 1.804 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O 1583497778 LXGDEEJDHAJSPT-CYBMUJFWSA-N 407.434 1.639 30 10 HDEE C=C[C@@](C)(O)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1586226936 WFVRSYUFGLINPW-HXUWFJFHSA-N 401.467 1.845 30 10 HDEE C#CCN(CC#CC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1586950760 IFVGUDDQMZOBCY-IKGGRYGDSA-N 408.520 1.142 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1587603384 LBDOSUMXOYEROZ-OAHLLOKOSA-N 416.503 1.775 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1587641282 YWCGDEBGCVFCAH-BZSNNMDCSA-N 407.584 1.903 30 10 HDEE Cn1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(I)n1 1587691414 VKGOJMXGYYEXPW-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588025388 YIVJXZQLEGHTGY-BRWVUGGUSA-N 423.583 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2CF)CC1 1588890945 JCJZQELPOKRRMN-FVJLSDCUSA-N 419.501 1.427 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588908347 PUAPIZVPSHQHAY-HXOBKFHXSA-N 423.517 1.451 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@]2(C)CCCO2)CC1 1588929682 FPHYDXKRTUGOON-LAUBAEHRSA-N 401.511 1.317 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1594732754 HPDFBEMPVOUMHG-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)C[C@@H]1CCCO1 1595466236 HABHOYABKLOBOD-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(=O)OC)C1 1595496721 FISUQDLCHIRHEU-AWEZNQCLSA-N 414.422 1.155 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 1595790549 OISAOYROPLNQII-LBPRGKRZSA-N 404.319 1.486 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC 1596778567 VCXIYRKGUDIORJ-HNNXBMFYSA-N 402.900 1.670 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1611307744 GEUMNOJQAMFYIZ-HNNXBMFYSA-N 400.458 1.605 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2Cc3cccc(C#N)c3C2)c1 1611561835 FPUFTVHAKXCZQF-UHFFFAOYSA-N 414.487 1.293 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1613478124 DZYVBPMYZZXBRT-HOTGVXAUSA-N 418.448 1.930 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1F 1617380513 CXCGXNVZGSFRGP-XHDPSFHLSA-N 413.388 1.422 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1619553113 DCQMWEJMTCNNJN-OAHLLOKOSA-N 412.494 1.583 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OCC 1624303651 LBKQLRSWUMQUGY-ZDUSSCGKSA-N 419.297 1.724 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(Cl)c(Br)c2)CC1 1627015307 NWFYCGQVIDBTHF-UHFFFAOYSA-N 413.703 1.395 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1627265786 RXYOBFODBFPUQF-DCOQFNDQSA-N 406.483 1.879 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCCC3)CS(=O)(=O)[C@H]2C1 1627351914 PUYWBKJYDJFYTF-KFWWJZLASA-N 411.524 1.609 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[C@@H](CC#N)C2)C1 1629174580 IAOGHGBNAATRDD-QMTMVMCOSA-N 411.524 1.420 30 10 HDEE C[C@@H](O)[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1629766943 YFXLYDIXGGVBOL-CXAGYDPISA-N 400.435 1.631 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12COCCN1C(=O)OC2 1632441273 YPWKHZHXEKKIDA-PXAZEXFGSA-N 403.863 1.360 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)C1=O 1635210045 ROMSRUJQUFKUHV-NPPFBWRTSA-N 415.490 1.394 30 10 HDEE C=CCN(CCOC)C(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1635612077 LNRCRRRMRCVHBH-PKOBYXMFSA-N 410.536 1.595 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)s1 1635662329 JUXHNIBTIAJISY-CZUORRHYSA-N 424.548 1.525 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(OC(F)F)CC1 1635692773 CRUCDUKYYVYXOI-XGNXJENSSA-N 401.435 1.892 30 10 HDEE N#Cc1ccc(Nc2cccc(C(=O)NC[C@]34COCCN3C(=O)COC4)c2)cc1 1635846535 ZLONKLZPTDJIOB-JOCHJYFZSA-N 406.442 1.659 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)cc1 1636289459 RXUSTJNZHQGWFE-KRWDZBQOSA-N 411.439 1.303 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1636290122 YOCGHIHTGQLUER-KSSFIOAISA-N 417.462 1.964 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1637475260 DUZKTEWDHBZAIR-UHFFFAOYSA-N 401.492 1.659 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)cc1 1637529040 YIZMUFQVZIXHJW-OAQYLSRUSA-N 416.499 1.330 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1638023316 HCHMRXUEJZVYMY-GUDVDZBRSA-N 402.516 1.394 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(C(F)(F)F)nn1C 1638269879 BWIVTBGEQKHIDA-LLVKDONJSA-N 408.388 1.521 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1)c1ccccc1 1639640886 SGSVODXVOYJNHB-OAHLLOKOSA-N 409.446 1.931 30 10 HDEE CN(C(=O)CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 1640560786 QIDJZWULNLQAPQ-HXUWFJFHSA-N 407.386 1.896 30 10 HDEE Cc1cc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc(C)c1C#N 1640636254 YWSHYDQAAMUSFQ-OAQYLSRUSA-N 403.479 1.903 30 10 HDEE CN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1)C1CCCCC1 1642220713 COGPEDVFAZDVCR-UHFFFAOYSA-N 400.483 1.962 30 10 HDEE Cc1nnc(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)n1C 1644185305 NVCNPRHGWQUPDZ-UHFFFAOYSA-N 403.284 1.649 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCCO2)cc1S(=O)(=O)NCC#N 1645744160 YWSFXKTVOSDDTM-IAGOWNOFSA-N 407.492 1.207 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]([C@H]2CCCO2)C1 1648399399 HEVOIKMVXXGHHR-BHIYHBOVSA-N 406.504 1.765 30 10 HDEE CNC(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1649678428 JZXIFEPIPINZBG-KFWWJZLASA-N 419.530 1.781 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(C)C)CC1 1651789292 SHGKHFHDVHYUCT-HNNXBMFYSA-N 416.950 1.645 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1=O 1652137063 VMTUTWGWZTZVQM-RYUDHWBXSA-N 403.357 1.333 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)nnc1-c1ccco1 1652215654 FAPSZIROSKKZGG-QKDCVEJESA-N 406.508 1.987 30 10 HDEE Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)O2 1653762780 DGEYWHMOXKGXNX-JOCHJYFZSA-N 424.457 1.619 30 10 HDEE CO[C@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)Cc3cccnc3N2C1 1654503612 ODLSWUGLPFZBBD-OALUTQOASA-N 412.515 1.836 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1654737184 YQCMWLGOPCCQKP-OAHLLOKOSA-N 406.504 1.916 30 10 HDEE N#Cc1ccsc1NC(=O)CN1CCn2ncc(I)c2C1 1655680530 HZFPNDARHIBUQU-UHFFFAOYSA-N 413.244 1.875 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCO[C@](C)(C#N)C2)ccc1Cl 1655733690 QQRWIOGWDGSEFQ-MRXNPFEDSA-N 400.888 1.143 30 10 HDEE N#Cc1cn(CC(=O)NCc2ccc3c(c2)OCO3)nc1I 1656672000 GSEJTQYDPYRPOZ-UHFFFAOYSA-N 410.171 1.404 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C)(N4CCCCC4)CC3)CC2)o1 1660063237 VAONGSQMVCWWGV-UHFFFAOYSA-N 414.554 1.844 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1664345202 MHAMPSWILCEKEG-OWCLPIDISA-N 414.549 1.016 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc([N+](=O)[O-])c(Cl)cc2C)CC1 1670427030 LLIJASJGLTUIGV-UHFFFAOYSA-N 415.859 1.174 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 1670972043 XTQABMCLZUDIPF-NSHDSACASA-N 417.450 1.732 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1C#N 1676035638 STQJQEYGTRAVEA-UHFFFAOYSA-N 410.503 1.806 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCCC3(CS(C)(=O)=O)CC3)CC2)c1C#N 1682674441 WQEILJBUZRCOJG-UHFFFAOYSA-N 411.553 1.370 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1 1682889037 XYGQIMUTBZTMEK-IBGZPJMESA-N 402.470 1.520 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1689827086 ZLKRBDHREZGIGB-ZIAGYGMSSA-N 423.514 1.680 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1689847753 HGUXUBMYXJVKLG-GOEBONIOSA-N 412.494 1.722 30 10 HDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C(=O)NC)C1 1689915067 OVROJKUCFKWLJA-IBGZPJMESA-N 419.489 1.700 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(=O)NC)c1 1689972167 HOWAXJCJMJABKH-UHFFFAOYSA-N 405.506 1.811 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(C)=O)nc1 1689973664 KZBNJUKBRKBGNP-UHFFFAOYSA-N 423.502 1.741 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N1CCOCC1 1690071379 TWURETXNKIHDDT-UHFFFAOYSA-N 406.490 1.755 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)cc1 1690100150 YUJQGYFHUQRSHE-UHFFFAOYSA-N 421.505 1.503 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690155671 MLUUTSXRMNOOBK-IAGOWNOFSA-N 418.611 1.947 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 1690156255 ULQPCRDYBKNNFM-INIZCTEOSA-N 413.551 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Cn2cccn2)CC1 1690668724 GUUWIYLPAXHZAB-UHFFFAOYSA-N 407.482 1.150 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1690672577 WNGWDJUQMNQUKG-UHFFFAOYSA-N 414.510 1.724 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(CC)c1 1690674282 VNOVKNRNMSKGIO-UHFFFAOYSA-N 414.539 1.789 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H]1CCC(=O)N1 1694734695 MWENBUYPEHEMDD-OAHLLOKOSA-N 413.913 1.971 30 10 HDEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C#N)CC2)C1 1696876614 QFJXCZGAECYXLL-NRFANRHFSA-N 416.476 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1705493489 JXNXXMALFYBUNE-LPHOPBHVSA-N 420.517 1.858 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705524979 WBYRFYYCFXAGBD-DLBZAZTESA-N 419.555 1.648 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705567658 XZPZOEKOGOLTFB-MAUKXSAKSA-N 410.565 1.040 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1705569713 GCEGTACGRKPJRL-QGZVFWFLSA-N 418.567 1.758 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1705606597 ZHRYRPNNYIJIKU-CYBMUJFWSA-N 405.300 1.784 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705611305 XQAIDXZSMHEDRR-UHFFFAOYSA-N 410.503 1.788 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCOC(C)(C)C1 1705627189 YBZAKEXDYRVDNA-UHFFFAOYSA-N 412.538 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)CC1 1705638881 ALEOADVCHJWGRK-SFHVURJKSA-N 421.567 1.100 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@H]1C 1705662543 CCDNNVLLHGEXOB-MRXNPFEDSA-N 413.547 1.911 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2cccnn2)CC1 1705734295 KCBBIPBDNGOLHB-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705825206 MQQORABBRYZZGJ-MRXNPFEDSA-N 404.515 1.210 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1705832598 CRNRBDYOHGGRGO-RTBURBONSA-N 405.543 1.881 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705948491 VMKKGSIIUFRZOA-CVEARBPZSA-N 418.567 1.567 30 10 HDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1706194399 FSMNJMXOHARHSV-MRXNPFEDSA-N 401.515 1.080 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1706751154 GYONZLKLXFFCQB-LBPRGKRZSA-N 410.525 1.053 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCc1nnc(C)s1 1712454996 VERCWCLVXMKTQD-OAHLLOKOSA-N 405.528 1.941 30 10 HDEE COCCO[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1712588156 ADTSWSQRCZFJRO-RDJZCZTQSA-N 401.467 1.927 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722362692 OAVKBKJKAVRWEL-IBGZPJMESA-N 424.530 1.662 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722460502 XSCBEFDFCNYTST-IRXDYDNUSA-N 406.552 1.923 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)CC1 1722506872 DMMFMTYMRXFQLV-PZJWPPBQSA-N 410.522 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1722731727 PUSRJMAXGNWOBN-TXPKVOOTSA-N 410.540 1.520 30 10 HDEE C#CCCCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1740568553 ZBCSXHVULIXANX-UHFFFAOYSA-N 410.526 1.343 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740589663 DTCRRQLAMJQCHV-RBUKOAKNSA-N 416.570 1.622 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740620326 VSHJHHNJVYDQKP-IRXDYDNUSA-N 416.503 1.818 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1740632110 OHUPSJWMAPJXRW-UDJZJCJKSA-N 416.522 1.322 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1cnn(CCOC)c1 1740635820 PKHJMDKXQXASQJ-UHFFFAOYSA-N 404.474 1.918 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2csc(COC)n2)CC1 1740694579 NQOGKEVCIODQAS-QGZVFWFLSA-N 416.551 1.926 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C2CCCCC2)N(C)C)CC1 1740695154 GXCAIZAAAXIPHH-OAQYLSRUSA-N 424.597 1.944 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1740899981 RZSIETLZINJYIV-OAHLLOKOSA-N 403.508 1.831 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O)C1CC1 1740911939 KWMKICOUJUPVIU-UHFFFAOYSA-N 402.524 1.454 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)[C@@H]1CC 1740954162 DHKPEVVIVCYQGJ-HNNXBMFYSA-N 408.462 1.708 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1740999892 QXBAZBYRXNYABX-UHFFFAOYSA-N 416.551 1.991 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1741991622 LWXITOKADKDCAJ-LAUBAEHRSA-N 410.478 1.324 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1742905176 AVAKUSBDIDKBBN-OAHLLOKOSA-N 423.521 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1748646758 DHRBVYDYJYTTBU-HNAYVOBHSA-N 412.556 1.601 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1748757576 HCCZDDFUSNJSCO-UHFFFAOYSA-N 415.542 1.398 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748759848 QLOYWOIYZLYYOS-HXUWFJFHSA-N 422.537 1.963 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=C)C)CC1 1749020204 ODNDIBXMWXPYBS-ROUUACIJSA-N 401.511 1.544 30 10 HDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749106455 DRDPEKWQLCLSRY-UHFFFAOYSA-N 411.348 1.349 30 10 HDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749204441 FSRQVDYGYKXRTL-MRXNPFEDSA-N 412.494 1.998 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749671102 ZAEZYONKHDNRKN-ZWKOTPCHSA-N 424.505 1.882 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CC)C1 1749693659 LIRRJJDMJXEABJ-QRWLVFNGSA-N 400.483 1.868 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1750122630 XTLYOYAMUWWEPD-NSHGMRRFSA-N 424.505 1.789 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCCO2)CCOC1 1751027849 ZXKUHDNDKMNVDT-ABSDTBQOSA-N 405.499 1.617 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1751681806 GRGSDVBXOSTEHA-UHFFFAOYSA-N 416.551 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1760187742 FORLAYHMFUUAOL-AWEZNQCLSA-N 405.549 1.796 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1760219298 AKZCJRDVMRVISV-APWZRJJASA-N 405.458 1.532 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CC1COC(C)(C)OC1 1760279067 PWBGUJCGIONEFT-UHFFFAOYSA-N 404.540 1.880 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760327344 GKXTURVUCKEAMF-OXFYSEKESA-N 405.499 1.827 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1760432913 OJECJTBCLNTSRS-AWEZNQCLSA-N 412.560 1.302 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnc3n2CCC3)CCOC1 1760689026 RNFKCEUNLOWUGS-MGPUTAFESA-N 414.514 1.501 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCC(=O)N1 1761037132 USAKBGUSRLVMHA-HZPDHXFCSA-N 423.525 1.132 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1761709001 DZESOWQBQOVBNH-RTBURBONSA-N 424.505 1.987 30 10 HDEE CC[C@H](C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)OC 1763450548 JVVAOPBSPNXMLV-VBQJREDUSA-N 416.482 1.796 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1766870065 HBCSUERPCPWHIR-CQSZACIVSA-N 406.393 1.363 30 10 HDEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768063697 HKCXVQSHNMZOFK-QGZVFWFLSA-N 403.531 1.410 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1769419253 GMFUVOXEVAUMQS-OXTHUFEASA-N 411.462 1.356 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1769994142 HTJWAWBGVGIZRL-OXJNMPFZSA-N 424.521 1.555 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCNC(=O)C2CCC2)c1 1770735633 NETXMFGZXDISKS-UHFFFAOYSA-N 421.505 1.449 30 10 HDEE CC1=CC(C)=NS(=O)(=O)N1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1850701953 HTJORQBUYPYTDV-UHFFFAOYSA-N 402.476 1.853 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CN2C(=O)COc3ccccc32)CC1 1851517874 MUUHGEOYEOHBAM-UHFFFAOYSA-N 421.457 1.044 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1cc2n(n1)CCC[C@@H]2N1CCOCC1 1852805362 MBHZVQJIAZTKTA-AWEZNQCLSA-N 423.399 1.933 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ccc(N2CCC(C(F)(F)F)CC2)nc1 1852846530 HYUKXQBRBWIUQE-UHFFFAOYSA-N 410.440 1.926 30 10 HDEE Cc1ccc(OCCN2CCN(CCNC(=O)Nc3ccc(C#N)cc3)CC2)nn1 1852994925 NQAOGECLNWAGGH-UHFFFAOYSA-N 409.494 1.475 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1853037846 BZBFIUPKWXKFAI-GOSISDBHSA-N 424.954 1.845 30 10 HDEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)ccn1 1853667321 YFJSPSCVLVOKPW-INIZCTEOSA-N 409.370 1.534 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1=O 1853828297 KFHZOSRUNXGVGI-MSOLQXFVSA-N 414.506 1.719 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1=O 1854179831 YMSCBQDDSNAYGV-GJZGRUSLSA-N 414.487 1.863 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CSc2ccc(OC)cc2)C1=O 1854241451 OASDFJDUAKARTB-ROUUACIJSA-N 417.531 1.634 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(C4CC4)on3)C(C)(C)C2=O)CC1=O 1855071072 XBBHHMRPHBUDRO-HNNXBMFYSA-N 400.479 1.536 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCC4(CC3)CC(=O)N(C)C4)C2=O)cc1C#N 1855102639 HHANLTKABBLRFG-LJQANCHMSA-N 408.502 1.942 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1855605946 JTMVMJSMSPAATK-PKOBYXMFSA-N 400.523 1.921 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3sccc3F)C2)CC1 1855887372 BOUOQNTUGIJOKV-CQSZACIVSA-N 413.478 1.965 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC4(CC3)C(F)(F)C43CC3)CC2=O)CC1=O 1856486100 FYSKOHKELZBQRK-CVEARBPZSA-N 421.488 1.907 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3Cl)C2)CC1=O 1856805186 MVJCUZBNULOYHL-STQMWFEESA-N 414.867 1.222 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4ccncc4)CC3)CC2=O)CC1=O 1856820766 VHCZPHIZBAATOT-PMACEKPBSA-N 410.518 1.703 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)C1 1856847914 BNQBRVHDZQVLLP-ICSRJNTNSA-N 410.518 1.361 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1=O 1856904981 UZJDZJHKOKIUHM-SJORKVTESA-N 422.503 1.494 30 10 HDEE Cc1ccccc1OCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857054052 YWNJKAWJXCIEHA-KRWDZBQOSA-N 419.503 1.314 30 10 HDEE COc1ccccc1CC(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857111889 MNIOUYYTHGWKLI-SFHVURJKSA-N 406.442 1.395 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857229705 QXYWQSPOJSGMQZ-RTBURBONSA-N 417.550 1.677 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CCOCC3)C2)CC1 1857382640 LIMMXJWSKMKHFW-KRWDZBQOSA-N 411.506 1.267 30 10 HDEE C=CCn1cc(OCC(=O)c2ccc3c(c2)N(C)C(=O)[C@@H](C)O3)c(=O)cc1C(=O)O 1857890223 MOIUZOLXMWCQNX-GFCCVEGCSA-N 412.398 1.738 30 10 HDEE N#Cc1cccc(NC(=O)[C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858394329 UKZBTWBDSYFUMZ-DZGCQCFKSA-N 408.380 1.899 30 10 HDEE COc1ccc(NC(=O)[C@H](Oc2cccnc2N)C(=O)/C=C/C(=O)O)c(OC)c1 1858707236 IDYVWXWYOSPIFM-IWAYRVGRSA-N 401.375 1.277 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862130753 JANHCHFDGDWETG-AWEZNQCLSA-N 419.478 1.148 30 10 HDEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCNC(C)=O)C1=O 1863437191 YRQPNSUJHWORTC-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 1868134854 AYPDBVBQDWOMSC-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE CCCCCCCCn1cc(OCC(=O)NC)c(=O)cc1CN(CCO)CCO 1870569229 UNHCHWASOQHIGB-UHFFFAOYSA-N 411.543 1.120 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1880980464 RVTWFQVWOCYAAN-MPBGBICISA-N 402.403 1.624 30 10 HDEE Cc1nc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc(-n2cnc(C)c2C)n1 1889643396 CSGDCQVYYSGOLY-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 1890566058 CJGSJLSWQXEOOX-MRXNPFEDSA-N 400.460 1.220 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC(COc3cccnc3C#N)C1)CS2 1891126643 ZWDMGRQEBXUSDK-HNNXBMFYSA-N 411.487 1.701 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1981513055 CTYBXSRCDQMPIN-NEPJUHHUSA-N 413.334 1.432 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC(C#N)CC1 2054404264 UGBYYKJXWDMGNX-GOSISDBHSA-N 406.508 1.810 30 10 HDEE Cc1csc(CNS(=O)(=O)C2CCOCC2)c1B1OC(C)(C)C(C)(C)O1 2157020293 OLRKDQAKLIKGGJ-UHFFFAOYSA-N 401.359 1.954 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2174779346 IAKFDQYHZIVJTE-LSDHHAIUSA-N 401.529 1.870 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)CC1(C#N)CCOCC1)C(F)(F)F 2174787187 RJJJDAHRTDEVKN-LLVKDONJSA-N 415.434 1.682 30 10 HDEE C[C@H](NC(=O)C(C)(C)S(C)(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186622978 FHYMHBSZHYNHDT-JTQLQIEISA-N 402.347 1.443 30 10 HDEE C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186640084 YKJOKMPMWLARKB-MNOVXSKESA-N 400.331 1.054 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243702545 PMMXHXPAMNAVAO-NSHDSACASA-N 424.332 1.667 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCNC(=O)OC(C)(C)C 2243961342 ANEKBPXHQFRURB-UHFFFAOYSA-N 405.304 1.944 30 10 HDEE C[C@H](CCO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857302 UBVXMRWYRMAIDS-OAHLLOKOSA-N 414.315 1.528 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247910317 KUUZHKFZFDLBOS-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247916971 HRNSVBDVFQNRIQ-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE CC1(C)OB(c2cnc(OCCCS(C)(=O)=O)c(Br)c2)OC1(C)C 2263839618 RIHVQUXOXLATSG-UHFFFAOYSA-N 420.134 1.957 30 10 HDEE Cc1cc(S(=O)(=O)NCc2cnns2)sc1B1OC(C)(C)C(C)(C)O1 2267354519 JBTUDJLPGXVMQE-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)s2)OC1(C)C 2267367516 UWQCOOSAWRCJJW-MRVPVSSYSA-N 401.237 1.249 30 10 HDEE Cc1nc(=NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)s[nH]1 2267473506 GXYDZZHZWULGDF-UHFFFAOYSA-N 401.344 1.571 30 10 HDEE CS[C@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707595 UEIITEDSEDPXRO-PWSUYJOCSA-N 404.388 1.756 30 10 HDEE C#Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)c1 2270495041 WEFVSUOKSHOYDY-SFHVURJKSA-N 416.455 1.878 30 10 HDEE COc1n[nH]c(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282306608 PGYXOTFZQUHUJI-UHFFFAOYSA-N 420.709 1.628 30 10 HDEE CC1(C)OB(C2(C(=O)NCCNS(=O)(=O)C(F)(F)F)CCC2)OC1(C)C 2282486795 UGCGIOLBYCPFDC-UHFFFAOYSA-N 400.228 1.558 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@H]3CO)c(Cl)c2)OC1(C)C 2282496905 JDCXMZRJBJFNED-VXGBXAGGSA-N 401.721 1.546 30 10 HDEE C=CCN(CCOC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502520 MLYGLVOKJCHCPP-UHFFFAOYSA-N 402.347 1.407 30 10 HDEE CO[C@H]1C[C@@](CO)(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282661524 OKAZLOGDMWLLML-RKQQLJTISA-N 401.721 1.970 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCOCC2)OC1(C)C 2282844615 GQKZKWAJMHBGNQ-GFCCVEGCSA-N 402.347 1.431 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCc2nncs2)c1B1OC(C)(C)C(C)(C)O1 2282846227 GQEJPUKRHYNOSP-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](O)C(F)(F)F 2282850801 TURLJBBQMVNYCP-GZMMTYOYSA-N 415.264 1.637 30 10 HDEE CC(C)(C)[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860421 ZVCMSODKGKTRCR-LBPRGKRZSA-N 403.375 1.980 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282877547 SQWQNJGDSGNHDZ-AWEZNQCLSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CC(=O)O)C2CC2)OC1(C)C 2284405672 ODMDALCUCCUTIC-UHFFFAOYSA-N 401.315 1.426 30 10 HDEE C[C@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415561 YKWVUWJFQAUOPN-CMPLNLGQSA-N 401.315 1.674 30 10 HDEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCCO)cc1OCC 2330795086 ZOBQYSQAHFTAQK-UHFFFAOYSA-N 407.496 1.678 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2365208651 DEURATFZZVRFCL-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2365209366 FVUGQWCYRKEDHL-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCOCCN1C(=O)OC(C)(C)C 2367785211 DHTZQTZMOVSQCC-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367789756 SEWAHVFFPBBXOD-HOTGVXAUSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367791462 JKBDLKKBUUSLAS-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C#CC2(S(C)(=O)=O)CC2)(OCCC(=O)O)C1 2367796661 QOQYXXPLOUXZMN-QGZVFWFLSA-N 401.481 1.438 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367815189 GFELNEMVBRCDPL-YZVOILCLSA-N 400.541 1.340 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367830048 FTXSZYSKLAKZIV-CLCXKQKWSA-N 400.541 1.292 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2370692272 AOULOIRZGUCSDC-YGTYGHESSA-N 402.557 1.537 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379794734 CTYJONJROHCNDT-AWEZNQCLSA-N 413.565 1.897 30 10 HDEE C=CCNC(=S)Nc1ccc(S(=O)(=O)Nc2cc(OC)nc(OC)n2)cc1 13749289 OPUNBZMFHWIGBW-UHFFFAOYSA-N 409.493 1.767 30 10 HDEE C=CCc1cc(/C=C2\C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(OC)c1O 96459876 ZQPVTDQBBOLXRS-OOJRFANJSA-N 420.472 1.751 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)ccc1Cl 109575359 HCGYQECDBIDNMN-AWEZNQCLSA-N 417.965 1.851 30 10 HDEE C=CCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 223258142 RUZLEKUIXNODKZ-FVVUREQNSA-N 416.423 1.052 30 10 HDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1ccc(-c2ccccc2)cc1 248234177 LYYMSTMSGFTWJD-VKDGWMQASA-N 418.449 1.438 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2cncc(Br)c2)c1=O 312723707 HWHADVJQJLSLKH-UHFFFAOYSA-N 402.046 1.911 30 10 HDEE C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 429313951 DXCIEBOXUDRPGZ-HUUCEWRRSA-N 413.478 1.689 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 432504699 WRJIFMGKLOJVIP-LJQANCHMSA-N 423.535 1.472 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 434041586 LKXVEVQGFXOASZ-UKRRQHHQSA-N 406.426 1.926 30 10 HDEE CO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 440234458 KGYSEJLHDMYCLW-DLBZAZTESA-N 406.508 1.388 30 10 HDEE CC(=O)NC[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1 446636047 DUXRJCMAOOLQGK-ABHNRTSZSA-N 401.467 1.190 30 10 HDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N(C)Cc2nnnn2C)cc1 466687593 YKNIQKDJQUZUIC-UHFFFAOYSA-N 421.417 1.480 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3c(F)cc(C#N)cc3F)cn2)CC1 467137502 LEYNNDPPRZIGNM-UHFFFAOYSA-N 421.473 1.852 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccn(C)n1 468797263 CGMHCOFIBJOTOD-CYBMUJFWSA-N 413.253 1.247 30 10 HDEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 471915977 VXSGDUMPUBOPJN-OAHLLOKOSA-N 414.281 1.637 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)c1 479222120 HJMPGJABRZRCSW-GOSISDBHSA-N 419.434 1.798 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)cc1C#N 489087911 KYFQVWSDNQMHBB-UHFFFAOYSA-N 413.503 1.643 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C#N)cc2)C1 498552331 UDZXXGQYXSNHHU-QGZVFWFLSA-N 402.476 1.880 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1S(=O)(=O)CC(=O)Nc1ccccc1OC 507552477 RSOHSIVNJHJROV-UHFFFAOYSA-N 413.459 1.947 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 508472275 JDTXQRWZFUVCNB-SFHVURJKSA-N 423.525 1.654 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 522944932 BWJDFUKPADYOJB-KURKYZTESA-N 403.504 1.284 30 10 HDEE CC(C)OC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 540549604 QBQRAHSFQRNVTF-IRXDYDNUSA-N 404.536 1.873 30 10 HDEE COc1ccc(Br)cc1[C@@H](NS(=O)(=O)N(C)CCC#N)C(=O)O 548238409 HINWFVXPZHLFOB-GFCCVEGCSA-N 406.258 1.263 30 10 HDEE COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 548750274 FDKLFUVAZVABRM-UHFFFAOYSA-N 417.462 1.990 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 549973809 OOMSQJAEBNIYCV-IRXDYDNUSA-N 415.519 1.724 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccccc2)c1=O 551924000 DTEPBDCIAHBOAD-UHFFFAOYSA-N 406.511 1.728 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)nn1-c1cccc(C#N)c1 552267290 VSPFUKNOCVIFQG-QGZVFWFLSA-N 401.492 1.548 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608981730 PJJUQFRNESHTMH-UHFFFAOYSA-N 420.516 1.304 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cccc(OC)n2)cn1 726114145 WNHJBEMLXUTXOD-CQSZACIVSA-N 402.480 1.574 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[S@](=O)CC 733964258 LKTFUWZSPPETGH-HSZRJFAPSA-N 403.298 1.983 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1C 734569814 LLBYPGZCRZBWGQ-IBGZPJMESA-N 415.471 1.565 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1csc(N2CCCC2)n1 745813252 KDHLOBTVQKASCM-FOCLMDBBSA-N 404.496 1.111 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1 746421334 GWPMWOBBXWGSKM-MRXNPFEDSA-N 412.450 1.727 30 10 HDEE N#Cc1cc(COC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)ccn1 746954802 REDCJXXUFBPSAF-RDJZCZTQSA-N 421.862 1.474 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2OC)c1=O 758070702 FYYOCTAXZSZYNK-UHFFFAOYSA-N 408.479 1.432 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 765960614 LMIQGLKSUCVXQQ-KBPBESRZSA-N 407.492 1.305 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cnn(-c2ccccc2)n1 766288391 CPLBUDIRKJJIMO-CQSZACIVSA-N 411.443 1.549 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@]2(CCOC2)C1 769626053 VEVRKUBURZXUAI-OXJNMPFZSA-N 421.519 1.302 30 10 HDEE C#CCN1CCC(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 772115099 VODQCFOQVAPDCD-UHFFFAOYSA-N 411.502 1.296 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2nc[nH]c2C1 772812499 KCYICMGSBQJCCN-DYVFJYSZSA-N 415.519 1.537 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 779358615 XGLQSHUODVPZGK-NERIXLHVSA-N 406.483 1.665 30 10 HDEE C#CCN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 779671401 XOSGINVDTPDDLC-TZIWHRDSSA-N 403.548 1.873 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC[C@H](OC)C(F)(F)F)cn1 786686972 FDQWFPHQQLVUCY-NEPJUHHUSA-N 421.445 1.938 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 796133446 UNKUHQVMFZTNDE-UONOGXRCSA-N 406.533 1.828 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798743161 ZOUQSODWRWMCMB-QWHCGFSZSA-N 401.423 1.539 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1cc(I)cc(C(=O)OC)c1 799223222 GOUJRSQEODJTTA-ZDUSSCGKSA-N 416.215 1.974 30 10 HDEE CNC(=O)[C@@H](NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 803922607 BTNUVBWWOZAFQE-IBGZPJMESA-N 409.417 1.876 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 807465259 AIFMITHFRCYELI-IBGZPJMESA-N 407.536 1.315 30 10 HDEE C#CCN(c1nnc([C@H]2COCCO2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 812048271 MSKGGEYBFMFFSZ-ZWKOTPCHSA-N 416.503 1.041 30 10 HDEE C#CCN(C)c1cnc(-c2noc(CN3CCN(Cc4ccccc4)CC3)n2)cn1 813340948 UGESKXRVCUVCMF-UHFFFAOYSA-N 403.490 1.914 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2CCC[C@H](C1)C2O 1116095393 IKMNYJBCPVOEJL-NYTJIUQPSA-N 419.547 1.905 30 10 HDEE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cc1ccccc1CC#N 1125089553 DHPBEHHOXIRLGG-JOCHJYFZSA-N 404.514 1.926 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)c1ccc(S(=O)(=O)N(C)CCOC)cc1 1128716874 QDDYRQZJQOGXLS-SFHVURJKSA-N 411.524 1.387 30 10 HDEE COC[C@@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 1131106372 RAUFJJOAQJVQNQ-QGZVFWFLSA-N 409.508 1.127 30 10 HDEE C#CCC1(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CCOCC1 1133929670 NCZJSGGPCLOZQP-UHFFFAOYSA-N 405.501 1.600 30 10 HDEE C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134645734 TTZSRARHDKWZBR-MQIPJXDCSA-N 402.394 1.869 30 10 HDEE CC[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1135335456 CIMNEOMSIZEWGS-JTQLQIEISA-N 406.327 1.893 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN2C(=O)C2CC2)nn(-c2ccccc2)c1N 1136183150 SOYWJMDVZVMRDW-IBGZPJMESA-N 406.490 1.776 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2cnc3ccccc32)s1 1136445189 NBZWVAAQQRLTLF-UHFFFAOYSA-N 404.517 1.921 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCO3)CC2)cc1 1141411913 RBGJKFCJCFTTFG-KRWDZBQOSA-N 415.475 1.280 30 10 HDEE N#CC1(CC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCCC1 1152946997 BGZOQCFNMMZADZ-UHFFFAOYSA-N 419.503 1.811 30 10 HDEE C[C@H](CC(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1154034820 AEFVPYVYTHJFCL-MGPQQGTHSA-N 421.519 1.740 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4cccc(C(F)(F)F)c4)CC3)C2)c(=O)nc1O 1159490109 LDOKORPKTICIPY-UHFFFAOYSA-N 404.348 1.954 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Oc4ccccc4F)nc3)C2)c(=O)nc1O 1159491363 XFJJFMRHFXRUFK-UHFFFAOYSA-N 407.361 1.844 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1160051415 KQROZTHKOQHXBT-VOTSOKGWSA-N 405.458 1.483 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccnc(OCC(F)(F)F)c1)c1cc[nH]n1 1160557945 WMQFIQUUQYAJJZ-UHFFFAOYSA-N 415.328 1.668 30 10 HDEE C[C@H](CC(=O)N(C)C(C)(C)CN1CCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1162442761 DZZVVLOGSHHRIV-OAHLLOKOSA-N 406.552 1.837 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1163652578 UVKIJBQKLRCAEN-PKOBYXMFSA-N 404.536 1.702 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN([C@@H]3CCOC3)CC2)s1 1167409152 DDLSANRKDHWBRU-OAHLLOKOSA-N 413.565 1.124 30 10 HDEE CSCC[C@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1180610491 RJZOQAZILFOTIV-OWCLPIDISA-N 407.536 1.720 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)[C@H]1C[C@@H](C(N)=O)C1 1196818139 GRAQSJKCZITAEG-XHSDSOJGSA-N 413.522 1.552 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1212123320 JOQRDEAGHUZXNX-SNVBAGLBSA-N 406.229 1.398 30 10 HDEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CCOCC1 1214874866 ZCZNHWXZTHKABY-IBGZPJMESA-N 420.535 1.173 30 10 HDEE C#C[C@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Br)cc1 1252457981 GXEPHRBVHPQRDO-AWEZNQCLSA-N 402.314 1.704 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC3CCC(S(C)(=O)=O)CC3)CC2)c1C#N 1255460576 VJPNWXLKCZFPJV-UHFFFAOYSA-N 422.555 1.035 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1272408150 GTNCHKFXTZSGKU-UHFFFAOYSA-N 404.366 1.899 30 10 HDEE C#CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1282817307 AXFLOANBZSRUQU-BJXTXXCUSA-N 412.530 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCS(=O)(=O)C(C)(C)C 1286277511 DKRSDFTUXWFYKO-CABCVRRESA-N 400.545 1.673 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1286362595 ZNDFELIRNCIFJB-HNNXBMFYSA-N 402.524 1.475 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286384056 GUJMWHDLIMLJMG-INIZCTEOSA-N 418.567 1.601 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286390610 CGXRZNPOHUVOFB-INIZCTEOSA-N 422.576 1.718 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1286407822 RXTUHQRXSUAVFS-MRXNPFEDSA-N 414.510 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286429173 HIVCWOTZAKTCIS-CEXWTWQISA-N 412.538 1.191 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286628367 GVGQGLRTJITPPQ-CYBMUJFWSA-N 403.936 1.395 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)CC1 1286664545 YMHUASHRBZHPTG-KRWDZBQOSA-N 418.567 1.981 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC=C)C1 1286805742 WRGBGMWPHQLEBC-INIZCTEOSA-N 405.524 1.666 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286835990 DPWDVYOLDIBNMN-HPFXQQBRSA-N 421.567 1.636 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1286966438 STTFFQMEZNNMOD-JFIYKMOQSA-N 421.505 1.878 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)CCC2=O)cn1 1290342011 ASVVJRUBKSTUJH-UYAOXDASSA-N 406.490 1.572 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1290975936 ILNRUKZSNQNKSG-XJKSGUPXSA-N 416.432 1.908 30 10 HDEE CCN1CCN(CCCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1292957419 ITHNUYFUJPUJHT-UHFFFAOYSA-N 410.515 1.270 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1295056534 DISPFTQVCGJLGM-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE CCN(CCC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1295796938 DADPSICBELKFQD-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1296188648 NQKFCEBDFYCCMB-HNNXBMFYSA-N 419.482 1.535 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)c1 1297645027 CLVDHXSVVLDHIE-QGZVFWFLSA-N 415.515 1.268 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1299455357 ARODZASUTZUPMN-IIBYNOLFSA-N 407.511 1.343 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300307326 DYVARBXNZHEVGR-HOTGVXAUSA-N 418.519 1.722 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](COC)C1 1300421783 RGZDKYHZJXYTIO-HOTGVXAUSA-N 417.535 1.923 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(OC)CCOC1 1300541555 XEASKGATCJWQIL-JOCHJYFZSA-N 404.474 1.395 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1300579266 OMIGTLXDDTZZFA-GOSISDBHSA-N 414.473 1.321 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC[C@H](CO)O1 1300673468 LLCAJLQFZNMWIC-RBUKOAKNSA-N 402.470 1.634 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1300697924 LFUOZLHDKMZIHL-UHFFFAOYSA-N 422.533 1.603 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC2CCOCC2)CC1 1300731766 UJNRFBVVQFWGOT-UHFFFAOYSA-N 403.527 1.597 30 10 HDEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1301305299 WLLBZZFLDARNHS-UHFFFAOYSA-N 407.540 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(CC)C1CC1 1301568835 YJRCOZDPGQERBW-UHFFFAOYSA-N 404.496 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1301569297 VGMBMZUTARIGKL-HNNXBMFYSA-N 405.528 1.109 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1303452566 GACUUGWFDFIKEL-INIZCTEOSA-N 407.478 1.604 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1303634584 ROGVBLVTTXDFMK-ZBFHGGJFSA-N 422.484 1.773 30 10 HDEE C[C@@]1(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1303991107 NGZISRCUTZNFKJ-WIYYLYMNSA-N 413.478 1.434 30 10 HDEE CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1306630105 MDPCZIAVGBQOJY-ZBFHGGJFSA-N 419.507 1.698 30 10 HDEE N#Cc1cc2cccnc2nc1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1306932490 XEWGJXZTQZSKOJ-UHFFFAOYSA-N 423.502 1.460 30 10 HDEE C=C(C)[C@@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 1309417513 AQXCCHFYXMAHQF-BLLLJJGKSA-N 408.492 1.783 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)C1CCOCC1 1311838528 BZZSRWKNRCXTQL-HXUWFJFHSA-N 413.518 1.956 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1314534152 FHVYURZFKKPUIX-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1Cc1ccc(N2CCOCC2)c(F)c1 1316099717 KGHZBRFNRMZADQ-UHFFFAOYSA-N 402.474 1.977 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1339042681 BIRLPOGXNZKLQU-FUHWJXTLSA-N 423.535 1.019 30 10 HDEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)c1 1357142236 WPAONBHWZGGVIN-UHFFFAOYSA-N 414.487 1.402 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1358872904 ZWYXKGNFMFZCFP-QMTMVMCOSA-N 405.524 1.254 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358931712 KHTAEFKLRDIQQL-QGZVFWFLSA-N 407.478 1.150 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358969089 GRCHWQXEUDGGBY-INIZCTEOSA-N 415.519 1.156 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nc(C)cs1 1359018640 XQNFCXSELRNWLU-UHFFFAOYSA-N 411.491 1.825 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(N(C)C)CCOCC2)n1 1359027458 KLNMQYGJDCLWDT-UHFFFAOYSA-N 415.542 1.180 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)CC1 1359158775 DUFRPGMZKHRLEL-HZPDHXFCSA-N 408.572 1.529 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359213867 JYNAMMMKECSOGT-KRWDZBQOSA-N 412.542 1.738 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1359253176 VQRLEQGHNDYCDQ-INIZCTEOSA-N 404.540 1.729 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCO[C@@H]2C)C1 1359327301 YCMOOPAXTVKKIW-OHHNFCFSSA-N 422.526 1.323 30 10 HDEE Cc1c(Br)cnn1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1435456478 VCYZKJOWTXNVDI-GFCCVEGCSA-N 412.288 1.926 30 10 HDEE N#CC1(NC(=O)Cn2cnc3c(I)cccc3c2=O)CCC1 1459113541 BCQTZHWKTQYNBS-UHFFFAOYSA-N 408.199 1.564 30 10 HDEE C#CCN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H]1CCS(=O)(=O)C1 1459741784 NDAQJYCXJPRPKJ-CYBMUJFWSA-N 423.560 1.177 30 10 HDEE CCOC(=O)c1c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1C 1461001189 SFLYVRKTHUAASJ-INIZCTEOSA-N 423.429 1.917 30 10 HDEE Cn1c(CO)nc2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 1467705820 DKYSPCJQSCHGAJ-KRWDZBQOSA-N 403.442 1.468 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(N4CCOC4=O)CC3)C2=O)cc1 1470032066 DGAQJMTUPPYLSC-GOSISDBHSA-N 411.462 1.285 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(C(F)(F)F)nc1 1470072685 PKNVJTHGNCJOEO-JTQLQIEISA-N 413.381 1.350 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1470095402 DOYKPFKRKQRUEX-UHFFFAOYSA-N 406.508 1.904 30 10 HDEE C#CCN1CCC(NC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 1471322817 XJRUAEQMGPVRPZ-UHFFFAOYSA-N 407.559 1.372 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1471410551 RSBUHMSFVHGAJO-CABCVRRESA-N 411.503 1.120 30 10 HDEE C#CC[C@@]1(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1471631300 KSMVROKZQCJMNJ-FQEVSTJZSA-N 414.466 1.169 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)O1 1472009986 LIBISQGTNVKXRO-IPMKNSEASA-N 411.462 1.361 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(C)(=O)=O)c1 1504115647 GXQVAHVEOFYPEO-CYBMUJFWSA-N 407.496 1.603 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1504659031 FYFDZYRNCPKAKW-AWEZNQCLSA-N 421.461 1.666 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507648315 NFEQHIZUCLYEHI-INIZCTEOSA-N 419.411 1.071 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1COCCO1 1507708754 MFIOKUXLTBQFHS-QGZVFWFLSA-N 416.478 1.464 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2nc(C)cs2)CC1 1507717074 YEISUILRGVGRII-OAHLLOKOSA-N 415.567 1.740 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCCNS(C)(=O)=O 1507763536 XOBYNLQKAGYIOA-HXUWFJFHSA-N 417.535 1.885 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1507893040 BEEYJPACZODDEV-LJQANCHMSA-N 416.570 1.763 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1507933650 ABUQZECIPOJSKB-BBWFWOEESA-N 412.556 1.777 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507974713 IYGUJDHFHLCETQ-UHFFFAOYSA-N 401.492 1.379 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1507994964 BTDRMZLTDBQNGL-HNNXBMFYSA-N 407.540 1.380 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1508080180 LKDLQJDMTCQCIP-LJQANCHMSA-N 421.505 1.949 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(F)cc(F)c1 1508080717 QRDKFZTUGIJBNQ-UHFFFAOYSA-N 401.421 1.895 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1508092600 ROVLIJKGIGULPF-BRWVUGGUSA-N 403.527 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cscn1 1508140215 GVGUPRQRFDABAP-CQSZACIVSA-N 411.553 1.866 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1ccnc1C 1513354823 DDGAXJJDYODNFP-IBGZPJMESA-N 402.478 1.844 30 10 HDEE CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1514205226 UYULXRWUPAABAF-VGOKWCNXSA-N 422.555 1.707 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](OCC)C2CCOCC2)c1 1518824359 DHBHWCDJIBNAHG-JOCHJYFZSA-N 414.502 1.691 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1519208289 SJKLFIGWKTUUPP-GOSISDBHSA-N 402.474 1.570 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1519306733 QHAKIMXGQVZWME-HNNXBMFYSA-N 416.482 1.574 30 10 HDEE N#Cc1ccc(CC(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 1519642542 FHQIOLMIGXZWJW-UHFFFAOYSA-N 413.377 1.984 30 10 HDEE Cn1cc(N2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2=O)cn1 1533613840 OYBMWCMGDBZPML-INIZCTEOSA-N 418.498 1.573 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)c1cc(Cl)ccc1OC 1535414960 XOFMVOXHQUTHKG-OAHLLOKOSA-N 407.854 1.868 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nc(C#N)cs3)n(C)c2)C1 1538824068 AKKPSMPYKBTNEO-GFCCVEGCSA-N 407.521 1.704 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539132990 SZDICNNYRWYBNA-KBPBESRZSA-N 415.475 1.797 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539230785 KFGNBUOVPFQGDD-OKZBNKHCSA-N 422.551 1.716 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539438305 VHDXDOZCNSLGLA-INIZCTEOSA-N 403.508 1.036 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC(C)(C)C2)CC1 1539477246 KNECVHWGVYRONH-KRWDZBQOSA-N 412.538 1.631 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC(C)C 1539542361 XTRNVSUXPUAQFC-RTWAWAEBSA-N 403.527 1.837 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C(C)=O)CC1 1540196131 QNZRPQRGYWOWKT-UHFFFAOYSA-N 401.515 1.076 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540866683 WTMILKLCLITAQH-GJZGRUSLSA-N 415.494 1.878 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2cnn(C)c2)CC1 1540868665 NBXQEVJHAQTHBW-UHFFFAOYSA-N 409.498 1.098 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C(C)C)C1 1540889926 WRYIZXGCIWGKKT-KRWDZBQOSA-N 401.515 1.622 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C)C1 1540900464 WNDOCFVVRLHRDM-CYBMUJFWSA-N 411.915 1.819 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1541106371 VRIYDPPCSFRGGK-GFCCVEGCSA-N 418.303 1.934 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1544117098 NQDIGAJOLLLJAG-IFXJQAMLSA-N 405.503 1.424 30 10 HDEE COc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1555024847 IFVVGQQUMBUOKV-IRXDYDNUSA-N 413.478 1.966 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1555719863 KSLRSXGCTUITMJ-KRWDZBQOSA-N 412.494 1.572 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1555770821 WFXYILZXYJQDJS-UHFFFAOYSA-N 405.480 1.551 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 1556915195 HWLGBQNBGGOHCG-VBKZILBWSA-N 421.519 1.805 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](CO)c1ccc(Cl)cc1)c1cc[nH]n1 1558203036 BWJILQBEGAKLPT-ZDUSSCGKSA-N 408.842 1.239 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]([C@@H]3CCOC3)C(F)(F)F)CC2)o1 1560199458 ULAJRNSZGCPUPS-DOMZBBRYSA-N 401.389 1.060 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CCS(=O)(=O)c1ccc(C#N)cc1 1560222466 CSRWVWJXEGCWLB-IBGZPJMESA-N 400.456 1.637 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1561718354 MSNTZAZEOMWPFA-GFCCVEGCSA-N 418.309 1.987 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCC2CCN(C3CCOCC3)CC2)CC1 1565051699 TXHQATCQVSRFTD-UHFFFAOYSA-N 412.538 1.676 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cn1 1569044664 STTACXALPFWXSU-SFHVURJKSA-N 422.489 1.822 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 1569982900 HNPJMKCRVLYUQO-LBPRGKRZSA-N 402.451 1.828 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1)c1cc[nH]n1 1570660604 KBFVQZJXLRFTTF-SJORKVTESA-N 413.478 1.155 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1583212886 BUNCFHVAABDPPU-MRXNPFEDSA-N 422.356 1.448 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1583629261 ANMDZNXHAMCIBE-AQFXKWCLSA-N 403.504 1.631 30 10 HDEE C[C@H](C(=O)Nc1cccc(C#N)c1Br)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1584220102 IFHRHUQPKYVASK-OJGWYHNPSA-N 418.247 1.810 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)c1 1586357387 DNEDJLIDSMBPTJ-SFHVURJKSA-N 403.435 1.615 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587656887 MVOWTBZKWQKEPL-DOTOQJQBSA-N 401.536 1.883 30 10 HDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1587783172 LIXBAZWIAVNIHH-IBGZPJMESA-N 411.506 1.920 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1587909520 MNMOOXSGCJOGJM-LLVKDONJSA-N 401.945 1.915 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1588020162 HMBWLIWVBIWPMX-UHFFFAOYSA-N 418.519 1.760 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCc2ccc(OC)c(OC)c2)CC1 1588198875 BCYPPYFGUDJPBX-UHFFFAOYSA-N 423.535 1.028 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1593690433 LWXOLKFLPWSFGC-LAUBAEHRSA-N 419.526 1.491 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1594961514 BVVVQMXAJHZIRS-INIZCTEOSA-N 422.530 1.735 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1595561835 CYTPCMNHGYIILT-SFHVURJKSA-N 406.494 1.641 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705637 VJMPQXLGKBAYNJ-AVRDEDQJSA-N 406.417 1.748 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H]2[C@H]1CCCN2CCO 1603338165 YOZNYMVPQWLPFH-JKSUJKDBSA-N 408.296 1.757 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H](C)N(C)C)cs1 1612410618 MWCGFEDTMPDDMF-KBXCAEBGSA-N 414.583 1.761 30 10 HDEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCS(=O)(=O)Cc2ccccc2)N(C)[C@H]1C 1615629205 GZHSMDIYMAERAA-PAXQJZSFSA-N 412.533 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1616336879 SXLBZWBHCYIOKN-IQGAEYHTSA-N 423.535 1.420 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1618180299 GRFSCGUKGSLVDE-AHRSYUTCSA-N 408.502 1.766 30 10 HDEE C#CCC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCC1 1622598201 OBKGDEIYAGPBPJ-QZTJIDSGSA-N 406.504 1.888 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1626657904 IOQKHUGJKHXHHW-GOSISDBHSA-N 400.479 1.062 30 10 HDEE C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627137068 SEMJXHPHNXTVSO-MQIPJXDCSA-N 413.293 1.613 30 10 HDEE C#CCOc1ccc(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 1627848227 JBYXNIYFIQMUQN-UHFFFAOYSA-N 406.486 1.839 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2SCC)CC1 1632961293 UWHYHYOXZUKOHS-UHFFFAOYSA-N 401.941 1.677 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 1633560000 SMZDPSGNCCZRKM-MRXNPFEDSA-N 405.292 1.927 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1634866150 ZEZLBUOCIOZAGV-ROUUACIJSA-N 400.328 1.575 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1F 1634961157 LVQZESYBWFVCEX-FZFLATATSA-N 421.400 1.992 30 10 HDEE CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H](C)S1(=O)=O 1636136546 HPPQFIHRPVQIPN-NWDGAFQWSA-N 402.469 1.161 30 10 HDEE C=C(C)CN(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1636737024 ZJEIWKKLPMCZLB-UHFFFAOYSA-N 424.567 1.755 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1637478988 BPRCHWHOPMBQEZ-RDBSUJKOSA-N 406.932 1.915 30 10 HDEE C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@@H]1CNC(=O)OC(C)(C)C 1638460164 HYULYSXRUIXSPM-NFAWXSAZSA-N 419.482 1.218 30 10 HDEE COc1nn(C)cc1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1638964845 NEGTXIKFSYYMNM-UHFFFAOYSA-N 422.493 1.809 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1643241167 GFCUJWKPZIIRQH-HUUCEWRRSA-N 408.499 1.063 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN[C@H](CN1CCOCC1)c1ccccc1 1645128184 PLLMNXKVDPNQTL-JOCHJYFZSA-N 403.482 1.949 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)cc1 1647945915 DAXHRLMJKSFBRS-QGZVFWFLSA-N 403.508 1.827 30 10 HDEE CC(C)CN1N=C(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CCC1=O 1649040868 IZYXSXMQXCIYMC-UHFFFAOYSA-N 400.435 1.525 30 10 HDEE CC(C)(C)n1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Br)n1 1653760495 WZXITOMNTRHIHK-UHFFFAOYSA-N 421.255 1.232 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 1657819918 OWVYSYFORHWSAD-INIZCTEOSA-N 409.508 1.766 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(I)s1 1661051313 LGJVFCVPEXIPGJ-UHFFFAOYSA-N 421.303 1.232 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(CC(=O)OC)c(F)c1)C(=O)OCC 1663611473 UMGZYUAOGJXPOA-CQSZACIVSA-N 407.847 1.894 30 10 HDEE C=CCN(C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 1671782372 LDOOWCKPNLQOCG-INIZCTEOSA-N 415.537 1.680 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680779140 SHDVOZQQOPRMRC-UXHICEINSA-N 417.469 1.785 30 10 HDEE N#Cc1ccc(CCNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1682582883 MXTUJJWTEVTXRA-UHFFFAOYSA-N 412.515 1.835 30 10 HDEE C=C[C@H]1CCCCN1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1683172702 FPXXCNXIEQHDAT-HNNXBMFYSA-N 407.492 1.581 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1683426171 WLLXYQBBOFMXND-UHFFFAOYSA-N 423.498 1.840 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689885671 QTVYSDOYWPTYJO-UHFFFAOYSA-N 422.537 1.283 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1689913833 WCSLQCLJWUCQKR-CYBMUJFWSA-N 421.527 1.377 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1689937005 LOBOHMNFTYYERG-OALUTQOASA-N 414.554 1.361 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1690019848 SPZIPSRRVOZSMD-LJQANCHMSA-N 412.515 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690024269 YRWTVCIYDUAMQR-GOSISDBHSA-N 411.531 1.498 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1690029649 GTLMDYZGZIFFNH-OAQYLSRUSA-N 414.579 1.414 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1CC(=O)N(C)C 1690055480 WVTCLXKAOAYXHC-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1690154592 TUZJVSGDKPTYHI-ICSRJNTNSA-N 415.538 1.762 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690342486 MMHXRQLBBTWVRP-LLVKDONJSA-N 415.903 1.628 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1690506041 ARZDKSDZXUBZEM-UHFFFAOYSA-N 423.525 1.696 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690506163 FKDVABFQDQAJNH-IEBWSBKVSA-N 415.542 1.428 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(CC(N)=O)CC1 1690667148 RRCGURAAJFAHSZ-UHFFFAOYSA-N 412.494 1.348 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690676410 ZEFSFBNXUPNJOH-KRWDZBQOSA-N 424.505 1.279 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2COCCO2)C1 1690687541 DHOYJWRPUKWWGS-UEXGIBASSA-N 422.526 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690722291 DETHWGPRYLWKSX-ZBFHGGJFSA-N 406.512 1.197 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1692491745 BTXVOIGORKVCKP-UHFFFAOYSA-N 417.464 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1705475796 PBRWZGDYVNSXIH-MRXNPFEDSA-N 404.478 1.601 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705508155 QPFPXRLTMFSFHK-JKSUJKDBSA-N 409.556 1.575 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1705538170 DWHUJPCTSAOBRU-GOSISDBHSA-N 414.554 1.803 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705566319 NCSKSTFDSCDNRC-HZPDHXFCSA-N 407.540 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1705584849 ZUBVOJJAHXHMTK-UHFFFAOYSA-N 422.508 1.245 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@H]1CN(Cc2ccccc2)CCO1 1705587184 KRXMNIDDBSKPAU-OAQYLSRUSA-N 407.518 1.788 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1705892563 OXZGLMKMVGBIBL-UHFFFAOYSA-N 402.528 1.463 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1705936291 NQRIZYKZBOOYHQ-KRWDZBQOSA-N 409.556 1.641 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(OCC)CCOC1 1710314725 HMWJUQNQKZZJRP-MGPUTAFESA-N 406.531 1.831 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1712168513 DXSZJTHJFHUHPM-HZPDHXFCSA-N 400.414 1.442 30 10 HDEE COCCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1712312607 HTTZSYPKVOVQBV-MRXNPFEDSA-N 409.556 1.983 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1712876884 WTHGQHHAASWGFV-KUHUBIRLSA-N 402.430 1.523 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1722293718 DUYHCUDKPDWQFL-GOEBONIOSA-N 407.496 1.019 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722364816 AZSSANPTXOXOMG-KZNAEPCWSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1722376913 HSOYFUGBGMHIHM-SFHVURJKSA-N 421.501 1.521 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccco1 1722428587 HQVDMYBSIDTPTA-INIZCTEOSA-N 401.467 1.281 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)C 1722471833 SMXPBUNNIMOUFP-OAQYLSRUSA-N 412.494 1.770 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)CC1 1722506875 DMMFMTYMRXFQLV-TZIWHRDSSA-N 410.522 1.914 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722635997 CHADAVNCCXPUAA-OAHLLOKOSA-N 405.524 1.857 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C=C)CC1 1722695745 ONLNNZJQXAZJQT-UHFFFAOYSA-N 419.493 1.625 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)C[C@H]1O 1729782456 FMVRRRVRJZNUKU-IAGOWNOFSA-N 415.519 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1740548503 GWAPQZMDMATBGF-LPHOPBHVSA-N 403.490 1.980 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740589134 POMZJWCDTNEDJP-GOSISDBHSA-N 423.477 1.877 30 10 HDEE C#CCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1740596611 IRQXMIUVPBGGSB-KNQAVFIVSA-N 417.554 1.502 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)OC 1740636931 IWJBMESDOOLJSC-OAHLLOKOSA-N 400.508 1.346 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)on2)CC1 1740706911 IHZCVJYVJGCXNL-UHFFFAOYSA-N 419.489 1.574 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)CC)CC1 1740963878 ZZKFBKSWIIGTBI-UHFFFAOYSA-N 417.558 1.013 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(N)=O)C1 1740970051 ZKDMTBWUEFYWAB-SJORKVTESA-N 424.505 1.544 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC(OCC)C2)C1 1740970362 JVVOFUCOMWLXLL-SHPPYHEDSA-N 407.515 1.128 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccs2)C1 1740983538 KMKSJFIHWBWNKA-HNNXBMFYSA-N 402.524 1.881 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OC)C1 1740984178 XJSICHYHFNEKCQ-KRWDZBQOSA-N 412.494 1.634 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1741000291 XKEPDVLWTMNRID-UHFFFAOYSA-N 416.551 1.991 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1742390781 YXSWAKGDHVVCMO-SFHVURJKSA-N 406.487 1.635 30 10 HDEE Cc1nc(CCn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)n[nH]1 1742600389 BBAIUXBAKIHTTK-UHFFFAOYSA-N 402.466 1.856 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1747453171 PBSMDFHALUBQST-GDLZYMKVSA-N 412.519 1.396 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1747995604 YKJNPMDFDKYTFX-UHFFFAOYSA-N 414.535 1.559 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC1CC1 1748657459 BIHIBJCBYUPZGB-CQSZACIVSA-N 416.503 1.957 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1748682219 SRSSDZBGXXASTJ-OAHLLOKOSA-N 414.535 1.700 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1748732391 ZKMRAYQULRTXDB-OAHLLOKOSA-N 419.555 1.419 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748838638 AHRZRCDULSYFMA-UHFFFAOYSA-N 407.499 1.939 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1748984734 YWVIWUMAHLQRBS-UHFFFAOYSA-N 423.565 1.687 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2F)CC1 1749009013 KVNCCTUNBDPPEX-UHFFFAOYSA-N 419.464 1.888 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749032941 VRQWNFKAXRJOJH-KRWDZBQOSA-N 412.523 1.147 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cncn2)nc1 1749165298 CFXDCPGXUFFGBR-UHFFFAOYSA-N 421.509 1.827 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1749245405 IYSBGFRCIPOTJQ-QGZVFWFLSA-N 416.457 1.096 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749459656 QDHGLKPBMPTKTH-SFHVURJKSA-N 423.583 1.828 30 10 HDEE C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1750347966 OZQRYUWQUYNKTC-KGLIPLIRSA-N 401.471 1.915 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760181581 XVXQIUJQXYGBKQ-HOTGVXAUSA-N 422.507 1.270 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1760232462 GDVSPWMZSPFYRR-UHFFFAOYSA-N 419.507 1.290 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)nc2)CC1 1760264763 DSXINUOTEPKODJ-UHFFFAOYSA-N 409.538 1.877 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCO1 1760325017 OJUGLEABOTWNBQ-HLIPFELVSA-N 403.527 1.997 30 10 HDEE C=CC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)c1ccccc1 1760417245 ZQNGIOFCWLYOQV-GOSISDBHSA-N 408.506 1.810 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760516933 YMABOKHHVGGLQF-OAHLLOKOSA-N 414.514 1.101 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CC(=O)NC(C)C 1760520172 DSOKYQHEQWICOZ-UHFFFAOYSA-N 404.902 1.862 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@@H]1CCOC1 1763102695 RSWPAIDRPDXIAI-GOSISDBHSA-N 411.510 1.629 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnccc1OC 1764187074 CKVVSNDZACNYOY-MRXNPFEDSA-N 413.482 1.377 30 10 HDEE CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1764713891 XWTKSANNECNQSC-ZZEZOPTASA-N 424.461 1.699 30 10 HDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)N(C)C 1766396585 FNPYZJQJOBHKEC-UHFFFAOYSA-N 411.510 1.491 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1768446237 YABSJXIYSAHLNY-SFHVURJKSA-N 419.493 1.728 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1769475471 IDENEOLZVNUSGP-QGZVFWFLSA-N 408.466 1.493 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)C1 1771529533 PIENAMVCNLUZNC-PXNSSMCTSA-N 417.441 1.632 30 10 HDEE COc1cccc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)c1 1850195220 MYPWBJJJIMFPGP-SFHVURJKSA-N 417.487 1.621 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccccc3I)CC2)n1 1851322479 JVTXFHRGFMVBAW-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE C=CCN(C(=O)[C@@H]1CSC2(CCC3(CC2)OCCO3)N1C(C)=O)c1ncccn1 1851628854 OGPHSNBZPXMULE-INIZCTEOSA-N 418.519 1.973 30 10 HDEE CN1CC[C@H](c2ccc(F)cc2)[C@@H](COC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1851849988 VISMTBWYXSVTRH-NVXWUHKLSA-N 400.410 1.238 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)c2c(F)ccc(C#N)c2F)CC1 1852066549 VCBHDRFKAXWEDX-UHFFFAOYSA-N 409.418 1.323 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1=O 1854263658 XDWCHXMCBXTDRU-SFHVURJKSA-N 424.892 1.953 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCc4c(OC)cccc43)C2=O)CC1=O 1856004822 KENDYDSUEMOMTO-QFBILLFUSA-N 411.502 2.000 30 10 HDEE C=CCN1C[C@H](C)C(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1856031675 DVZGVLOEZOUQRH-HNNXBMFYSA-N 409.508 1.096 30 10 HDEE Cn1cncc1C(=O)N1C[C@@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1=O 1856620348 XNNVVPQXAVVNLJ-QGZVFWFLSA-N 407.474 1.824 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cc3cccc(OC)c3OC)C(=O)C2)C1 1856832690 SEFKOEMVUGBLPK-SFHVURJKSA-N 401.507 1.568 30 10 HDEE C[C@H](C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)c1ccccc1 1857042187 SZKJTQUYHBUUML-MAUKXSAKSA-N 403.504 1.731 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CC[C@@H](N4CCC(CC#N)CC4)C3=O)CC2)nn1 1857357147 VUHSNSLYTQNVAH-LJQANCHMSA-N 410.522 1.755 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4nc(C)sc4C3)CCC2=O)CC1=O 1857436186 USKKQGBOHYDGKM-JKSUJKDBSA-N 416.547 1.609 30 10 HDEE C=CCNC(=O)[C@@H](CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613490 VATMHSZBWUFICU-NVXWUHKLSA-N 401.463 1.413 30 10 HDEE CCCCCCCOc1cn(CCOC)c(CN2CCN(CCO)CC2)cc1=O 1870409564 WVTDXWXIQLDLOK-UHFFFAOYSA-N 409.571 1.954 30 10 HDEE C=CCN=c1nc(Nc2ccc(I)cc2)[nH]c(N2CC(O)C2)n1 1871703845 IPVFGMLZZKOIEE-UHFFFAOYSA-N 424.246 1.421 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728738 HVVJFEGYIYTNDS-UHFFFAOYSA-N 403.490 1.912 30 10 HDEE C=CCn1c(C(=O)Nc2ccccc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873660839 DLLLCRJIHRCNLT-UHFFFAOYSA-N 406.490 1.984 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(O)CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889326118 KAPDEHGKUZHPLL-OALUTQOASA-N 417.531 1.609 30 10 HDEE COc1ccc(CNC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889492791 VCLSCLGNXUSOGW-UHFFFAOYSA-N 414.550 1.637 30 10 HDEE Cn1nccc1-c1cncc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 1891613696 OHMPSIBVIFVYKZ-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 1985102053 BBMLODWPSMTJKH-BPCQOVAHSA-N 411.308 1.496 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074701818 JFINTNHSJJINFJ-OLRZCDJHSA-N 410.492 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 2118167744 KBCPENMSQOBXPJ-ZJWNCGCPSA-N 406.530 1.184 30 10 HDEE CC(C)(C)OC(=O)NC[C@](C)(NS(=O)(=O)CC1(C#N)CCOCC1)C1CC1 2174782942 WPSBCQYYNCNBTP-KRWDZBQOSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2cc(C#N)ccc2Cl)(C(=O)O)C1 2174783750 GFXXJJVSCLMNRF-UHFFFAOYSA-N 415.855 1.564 30 10 HDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)CC2(C#N)CCC2)C1 2174790142 ZEKARNCOWATSCR-UHFFFAOYSA-N 401.485 1.199 30 10 HDEE CC[C@](C)(C#N)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818880 FLXMQYMPSIPZLF-CRYYWNKWSA-N 401.533 1.865 30 10 HDEE C=CCC1(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2181120551 PQIVPBQNUJLUPE-AWEZNQCLSA-N 401.529 1.469 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1(C)C 2184351893 HXFWPJXTVLSXIZ-KKUMJFAQSA-N 400.545 1.996 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267564195 SCZPVEAWXWEIEI-QMMMGPOBSA-N 408.738 1.108 30 10 HDEE CC1(C)[C@@H](O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703426 WCVUSFGAWVBYJO-JTQLQIEISA-N 407.750 1.845 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(C)OCCO1 2267704803 BJMAXWJMVUJWJR-UHFFFAOYSA-N 411.329 1.726 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCN(CC)S(C)(=O)=O)C1 2281274298 IWQQYWPDEFJJCU-UHFFFAOYSA-N 401.529 1.081 30 10 HDEE CN(C)S(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281977041 JURANTABPLTWMY-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282026943 JXJAHHZTMOFSNL-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)[S@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282316871 IZPINFYSWBVECD-CANCMXDXSA-N 401.359 1.340 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@](=O)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320317 GOSHQHXTSCWCPC-YDBLSZJJSA-N 419.399 1.497 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCC[C@H]2N)OC1(C)C 2282346890 ZAFFWJPQWCDSPA-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CN(C1CCSCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282347856 DEWOCMCXODUEHD-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282349199 VSGIVWAWCUMVFQ-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CC(C)(N)[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496578 DDRKYRZECLROHH-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE COC1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282501191 UDCKNJMXZGDFAT-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2COC[C@H]2F)OC1(C)C 2282503967 IGLTZUJTTMOPHI-CHWSQXEVSA-N 405.684 1.654 30 10 HDEE Cc1nc(S(=O)(=O)NC[C@@H]2CCCS2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282512693 VBRNVKQHORJGPM-LBPRGKRZSA-N 401.363 1.202 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282878307 DKQJHCBNUMQQCS-MRXNPFEDSA-N 402.347 1.226 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(F)(C(=O)O)C1 2284393885 QSONINJMBMHEHA-UHFFFAOYSA-N 405.278 1.153 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288910031 LROQDTDBKRYCRL-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE C[C@@H](C#CC(=O)O)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2318652826 YJRPURLTVHVXKG-AWEZNQCLSA-N 406.460 1.239 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2329056574 DSOKGKVIMVNIID-CYBMUJFWSA-N 405.480 1.380 30 10 HDEE CN[C@H](C#CC1(SC)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336207666 YYFKIRQMQKEZOC-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2339054212 SCBISMBIJYYTHE-ZETCQYMHSA-N 414.123 1.866 30 10 HDEE CC1(C)OB(c2csc(CN3CCSC[C@H]3S(C)(=O)=O)n2)OC1(C)C 2342911872 FNRZPFUXDMVGBM-CYBMUJFWSA-N 404.388 1.362 30 10 HDEE CC(C)(C#C[C@@H](NN)c1cccc(F)c1I)S(C)(=O)=O 2365196883 QVQBETKGPFMOQS-LLVKDONJSA-N 410.252 1.761 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@H](O)C#CC2(S(C)(=O)=O)CC2)OCC1(C)C 2367784374 BEZNNPUIRZVEGO-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367791449 YLZLIEHEEPVSLT-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1 51148218 DNWLVIQOZRVPGH-UHFFFAOYSA-N 409.328 1.698 30 10 HDEE C=CCOc1cccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)c1 66064578 ZIVKMGWEPKQVKX-SFHVURJKSA-N 403.479 1.580 30 10 HDEE Cn1ncc(C#N)c1NC(=O)c1nn(-c2ccc(Br)cc2)c(=O)cc1O 170496963 LQWOOUGBIVEXGL-UHFFFAOYSA-N 415.207 1.558 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@@H]12 299806809 UZTYOOVAPGOQDZ-LPFQASMNSA-N 420.458 1.762 30 10 HDEE in-vitro N#C[C@@H]1CN(S(=O)(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCO1 409572180 SJVOXWGCECXWDU-CQSZACIVSA-N 419.429 1.128 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c(O)c1)c1ccc(S(C)(=O)=O)cc1 435979996 HTPODGBUFFNCOE-FQEVSTJZSA-N 416.455 1.876 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Br)ccc2C)CC1 439811153 MYGNPQKQDDUPGR-UHFFFAOYSA-N 409.328 1.887 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)c(F)c1 440074129 NQHBKYSGMJRLGH-HNNXBMFYSA-N 415.537 1.477 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1Cl 441980993 UKUVWROADPMQKF-UHFFFAOYSA-N 415.899 1.363 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 443479846 ZBFCRXYWJULVJY-JTQLQIEISA-N 407.311 1.376 30 10 HDEE CCOC1CC(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)(N2CCOCC2)C1 443985006 XJVUZPSGWBETFN-UHFFFAOYSA-N 413.927 1.760 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447786911 OIRDUJAUKINWNA-UHFFFAOYSA-N 417.494 1.212 30 10 HDEE N#Cc1cccnc1N1CCN(c2ncc(Br)cc2S(N)(=O)=O)CC1 448163081 DZLHQSJNFGSOOK-UHFFFAOYSA-N 423.296 1.085 30 10 HDEE CC(C)N(Cc1cnc2ccc(C#N)cn12)C[C@H](O)COc1ccc(CC(N)=O)cc1 506421345 JPKDFXVFWBJZMS-FQEVSTJZSA-N 421.501 1.884 30 10 HDEE CC(C)c1noc(CCCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 519036107 WDYREHKQUJVMOV-UHFFFAOYSA-N 405.480 1.748 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)cc2C1=O 521592824 XPODUBMKUKJASD-LJQANCHMSA-N 403.438 2.000 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)cn1 524749375 QXMKLVFLJDEQRY-UHFFFAOYSA-N 419.466 1.452 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 532741252 VOIZUFTXKGKLQY-KRWDZBQOSA-N 415.563 1.939 30 10 HDEE C[C@@H](C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)n1cnc(C#N)n1 552801849 SBLIERRJKUQIGK-LBPRGKRZSA-N 418.255 1.992 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCn2cc(Br)cn2)CC1 558175259 YLNSVIQXILFOMD-UHFFFAOYSA-N 404.272 1.444 30 10 HDEE COc1ccc(CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1OCCCC#N 574152030 CIYVGKXOPBUVCH-UHFFFAOYSA-N 410.540 1.692 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 574765206 IYMRRRCIPNOCLM-UHFFFAOYSA-N 424.413 1.867 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc3oc(O)nc3c2)CC1 585355806 PIDNWNFHTGHJFZ-UHFFFAOYSA-N 415.431 1.864 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 603727422 BMGBVNAISYXCCW-UHFFFAOYSA-N 401.463 1.961 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 604000415 XYPZCAZAEFNHSX-UHFFFAOYSA-N 404.451 1.391 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H]2c2cccc(Br)c2)CC1 604189235 VZJRGCDBSGUGBA-IRXDYDNUSA-N 421.339 1.934 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 610765344 ATGDJQYNEMHBKO-MRXNPFEDSA-N 422.445 1.604 30 10 HDEE Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 612846281 GFBUYGDTNZDDCL-UHFFFAOYSA-N 405.462 1.600 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 702783930 JFNAMBFEPDMUJR-JSGCOSHPSA-N 415.899 1.718 30 10 HDEE COC[C@@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143164 RJMQVIUKJJBIJN-RDJZCZTQSA-N 406.552 1.969 30 10 HDEE COc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2cccnc12 731851073 GDLYYUGHLZUCTE-ISLYRVAYSA-N 402.432 1.048 30 10 HDEE CN(C)S(=O)(=O)c1ccc2nc(COC(=O)COc3cccc(C#N)c3)[nH]c2c1 731918357 IAVBHRJTLWLISK-UHFFFAOYSA-N 414.443 1.807 30 10 HDEE CC(C)[C@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N(C)C 733833657 ZSSUZKFPGGRFEO-RDJZCZTQSA-N 400.435 1.419 30 10 HDEE C=C(COC(=O)[C@@H](CO)NC(=O)c1cccc(Br)c1)C(=O)OCC 734029140 PNUBNMZIDYZPLH-CYBMUJFWSA-N 400.225 1.202 30 10 HDEE C#CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)[C@H]1CCS(=O)(=O)C1 742052250 LQNCKPIIHWLOJN-AWEZNQCLSA-N 404.467 1.792 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=Cc2c(Cl)nc3ccccn23)C1 749795603 MOISVYWUOYRUTA-HNNXBMFYSA-N 407.902 1.811 30 10 HDEE CCc1c(C(=O)OCc2ccc(C#N)cc2OC)cnc2c1c(=O)n(C)c(=O)n2C 766905870 MJXKDQFJDBFUNJ-UHFFFAOYSA-N 408.414 1.432 30 10 HDEE C#CCN(C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 767324838 SUJLVHRNGOXBRL-INIZCTEOSA-N 405.472 1.460 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@]2(CCOC2)C1 769625577 UEZAXJANYCOIKU-JXFKEZNVSA-N 421.519 1.158 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 781351146 BLMIVJASYJLWJH-MGPWXQLLSA-N 406.483 1.809 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CCN1C1CC1 781530045 QKOUTURSZZEKMY-MRXNPFEDSA-N 408.911 1.166 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)CC1 786111121 VEPCZTSHTJUONV-UHFFFAOYSA-N 412.490 1.461 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1ccc(C#N)c(Br)c1 788657103 GSXSITDTKMRPIN-UHFFFAOYSA-N 409.327 1.764 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)n1 789111656 CLCJFHVPNVFORU-VQTJNVASSA-N 403.527 1.052 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC2(O)CCOCC2)C1=O 795184688 QSBPACGBRVJUSS-INIZCTEOSA-N 416.503 1.557 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1C 801376338 HQIFMLKVFNAHNR-IWKHNONTSA-N 412.446 1.529 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807937589 HXBIOBKFFGNBQQ-AWEZNQCLSA-N 417.882 1.608 30 10 HDEE C[C@@H]1CC(=NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)NO1 810787244 OQGTUWVFSBVHEL-HHLQAYGYSA-N 405.454 1.704 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccc2O)cc1 811524283 YBLADBMNZNLXBW-UHFFFAOYSA-N 424.276 1.621 30 10 HDEE C[C@H](CC(=O)N[C@@H]1COc2ccc(F)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 811568115 JLFLVZQUJCIEOC-DOMZBBRYSA-N 417.462 1.763 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(C)nn2)no1 904809826 MFEDRDVPQRZRIJ-LBPRGKRZSA-N 401.452 1.835 30 10 HDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917701209 WSFOFNPWYOYSLY-WBMJQRKESA-N 413.503 1.683 30 10 HDEE Cc1ccccc1CSc1nnc(NN=Cc2c(C)nn(CCO)c2C)n1N 1084115145 OPIWDKGBGCIKKK-UHFFFAOYSA-N 400.512 1.844 30 10 HDEE CN(C)C(=O)CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084264484 WMOMRGUXYZLBPI-UHFFFAOYSA-N 408.400 1.638 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCc2ccc(F)cc2)n[nH]1 1084367574 HLPNGSKIQMUUFD-UHFFFAOYSA-N 402.459 1.840 30 10 HDEE C#C[C@H]1COCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1129749003 YGNIZYFAIWVPGS-KBXCAEBGSA-N 420.263 1.077 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1133065656 GCVATOHIHRHOSW-CQSZACIVSA-N 416.478 1.651 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCn3nc(O)c4ccccc4c3=O)CCO2)cc1 1134507122 MHWHGQPPGKAQGN-IBGZPJMESA-N 404.426 1.964 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 1135159505 KCXBYXMMFNOCKW-AWEZNQCLSA-N 422.482 1.211 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1136678435 XQOZSISDCBCZHW-CLOOOTJHSA-N 401.482 2.000 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCOC)CC1 1136831095 WUNWMOSIXHSKRH-QGZVFWFLSA-N 409.527 1.684 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 1141827353 GBWOCBNXTAWSHI-VQTJNVASSA-N 402.454 1.550 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccnc(C#N)c2)CC1 1156655852 LNUNQZGORSZUID-UHFFFAOYSA-N 403.464 1.275 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 1159837622 MGAKIBVCZSWCAZ-UHFFFAOYSA-N 419.503 1.291 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NCC)c1 1161254365 KQXHQNMRTKYRRF-QGZVFWFLSA-N 423.535 1.908 30 10 HDEE CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC=CC1 1163848751 BGZSAPPFEQZTJL-CRAIPNDOSA-N 405.520 1.695 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)cc1 1164391835 DCLLJOJZYKIOSR-QFIPXVFZSA-N 411.527 1.993 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1178208714 UKRDWULYZLVXEE-UHFFFAOYSA-N 406.439 1.010 30 10 HDEE Cc1nccc(NCc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)n1 1180999784 GDXSQHRJPIHZGL-UHFFFAOYSA-N 417.429 1.228 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CCOCC1 1195015573 UEYXJUATANJQIJ-VOTSOKGWSA-N 423.487 1.741 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c1C 1198572248 BWTFEMOXYAJWFX-LJQANCHMSA-N 423.521 1.423 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1F 1230511755 ZWIBVCVUPAPHQV-RDJZCZTQSA-N 400.859 1.753 30 10 HDEE C#CCN(C(=O)N[C@H](Cc1ccccc1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 1252584527 JSYVZVBICBIEQU-ZWKOTPCHSA-N 400.504 1.536 30 10 HDEE CO[C@@H]1COCC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1264645022 KSQIMRFZQMBZKA-JWXGAITFSA-N 409.508 1.880 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286281696 HUEJUNVLJAFMPI-HYVNUMGLSA-N 400.479 1.960 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1286411516 WVEKTPFQNWVWSL-UHFFFAOYSA-N 409.457 1.361 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CC 1286420237 ASEVLZKQOMGGOW-NRFANRHFSA-N 414.531 1.973 30 10 HDEE C=CCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286778011 QGDGBRXIZTVFSY-HXUWFJFHSA-N 407.515 1.236 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1287605236 GAKIQISQDLJJTG-HNNXBMFYSA-N 420.543 1.123 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)n1 1289988116 GQQITVFSOFHWDY-QZTJIDSGSA-N 412.494 1.821 30 10 HDEE C#CCN(CC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1)C(=O)OC(C)(C)C 1298065637 BFJFGHCNHOLFEG-NDEPHWFRSA-N 414.524 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1300311615 UPKUAYJUSAHIBT-DOTOQJQBSA-N 407.540 1.569 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1300380885 JUWJKJCZHSUAKF-CYBMUJFWSA-N 422.942 1.913 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1300428387 FSKPUMNSKIHHGQ-UHFFFAOYSA-N 408.506 1.468 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC(C)C 1300559270 MZWGXFSCWUVBTI-NRFANRHFSA-N 401.511 1.308 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1300578361 LLNJEPWNCWXJCG-INIZCTEOSA-N 415.519 1.550 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CC1 1300819435 QRQRWEDHFUDGGO-TXPKVOOTSA-N 422.551 1.571 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C)C1 1300980768 NTKTXTLRHKGKDY-INIZCTEOSA-N 410.482 1.739 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)OC 1301002044 CEMAWRKZEDROSF-FGTMMUONSA-N 410.478 1.193 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301197119 DURZGURIYHHYSC-IBGZPJMESA-N 417.602 1.987 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@](C)(CC)C1 1301510057 RVKZMELMSDDSEE-HXUWFJFHSA-N 401.515 1.447 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOC2)C1 1301539106 NSFMCICLMDMWNW-OWCLPIDISA-N 413.544 1.096 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301610349 WSPKPFNAAMPMPS-NVXWUHKLSA-N 415.567 1.951 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)CC1 1303000406 DWMYMOBTFZLJRN-SFHVURJKSA-N 420.583 1.796 30 10 HDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)n[nH]1 1304679733 CGJXDFBXSSMMTK-UHFFFAOYSA-N 421.509 1.254 30 10 HDEE CC[C@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1305890023 CJHWVSIGGKGWCH-AUUYWEPGSA-N 419.507 1.698 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ncc(Br)cc2C#N)C1 1306951471 IFCBEUIYAODHGA-GFCCVEGCSA-N 409.284 1.954 30 10 HDEE COC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1)OC 1315804526 IFNPFDQCZGXBAK-IAGOWNOFSA-N 424.461 1.990 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1339955947 CLQCULKIXPMPDZ-QZQOTICOSA-N 416.453 1.320 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1348036693 PYTRCOPGHGYPAY-DOXZYTNZSA-N 423.535 1.894 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1354929951 FODNTJBFULIFKM-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1358960658 IZZFKJGTGRZFJY-KRWDZBQOSA-N 416.551 1.908 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCCS(C)(=O)=O 1358982600 CKVHCKNYMHWBEY-UHFFFAOYSA-N 404.467 1.504 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCn1cc([C@@H]2CCOC2)cn1 1358998499 HODQZVQXFHEBSJ-UYAOXDASSA-N 408.506 1.993 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1359021151 DFSKUIWOIXBZKF-UHFFFAOYSA-N 420.517 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H](C)CN2CCOCC2)CC1 1359044088 VHNYGGYOFUYFEC-KRWDZBQOSA-N 414.554 1.090 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnn(C)n1 1359067451 NRIGLMOGAJIWGP-HXUWFJFHSA-N 408.466 1.526 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnccn2)CC1 1359228592 HQCUDKKZKBFMSH-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1359298273 TYNWANZFXFDTOT-MRXNPFEDSA-N 411.510 1.318 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H](C)C1CCC1 1359301427 YOBPVRSLTMAHII-GDBMZVCRSA-N 409.556 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1359331127 OEIIXIWFDCDABJ-IRXDYDNUSA-N 420.539 1.427 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1360236828 QFMVFQPPUXZUCT-VXGBXAGGSA-N 406.405 1.853 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C 1453791980 XONUSLZIMPGDOC-XOBRGWDASA-N 421.519 1.948 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1456322138 KPHGINOEWDUZNM-SECBINFHSA-N 401.370 1.616 30 10 HDEE C=CCOc1cccnc1C(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1462505909 YDZLFNDCWLGMPU-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 1466489790 QOJHSLDHXUFAFL-OLMNPRSZSA-N 419.478 1.850 30 10 HDEE COC[C@@H](C)n1c(SCC(=O)N[C@H]2CCN(O)C2=O)nnc1-c1ccccc1 1468373385 CEFQYDFPZXPXQP-OCCSQVGLSA-N 405.480 1.351 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]12CCCN(CC1)C2 1469624575 XTNLXSUJWQTSPX-LAUBAEHRSA-N 418.563 1.742 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)C1CCOCC1 1469629788 VWOQMQBRNJUOMX-LJQANCHMSA-N 407.536 1.849 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1)C1CCOCC1 1470311889 KTHHDRSQSPHLSS-RTBURBONSA-N 404.532 1.848 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1470628558 KIKZFNDNBYALDU-SFHVURJKSA-N 418.453 1.959 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)C[C@H]1CS(=O)(=O)C2 1472035676 NBAMXNFGXYZLBZ-UWJYYQICSA-N 410.451 1.634 30 10 HDEE C=CCSc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1472222044 GUSKWCVBLTXENO-BIWSTMPVSA-N 408.545 1.906 30 10 HDEE COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)CC2(CC#N)CC2)CC1 1474921085 AMYWZRLFSIQHQC-UHFFFAOYSA-N 405.520 1.842 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1475677970 WLOQZERCQJYVFM-LLVKDONJSA-N 412.309 1.673 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cc(Br)c3c(c2)OCCO3)nn1 1477644238 NBYNEUBZQPRNMU-UHFFFAOYSA-N 408.256 1.997 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1477901605 RSYWSNAJNVVQKS-ZDUSSCGKSA-N 417.325 1.685 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1492985023 BZAMWFPLFMLKON-IUODEOHRSA-N 401.471 1.554 30 10 HDEE CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1501901314 LOOIAQYXRAZSAX-UHFFFAOYSA-N 413.526 1.905 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1503292053 OLIKGLQLKDEOIY-LBEKAKSKSA-N 417.535 1.827 30 10 HDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1505255867 VHLBGOSMYTWCCX-UHFFFAOYSA-N 408.553 1.555 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1scnc1C 1507610122 IBBMOZZANVQRPL-UHFFFAOYSA-N 405.491 1.998 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507702021 DVBCIEBCECUNHZ-SFHVURJKSA-N 418.586 1.604 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1507714525 QIOOVUFECIQUDF-DRSNIGMVSA-N 417.554 1.761 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)CC1 1507721214 QKVZSSPVYOQTJP-QFIPXVFZSA-N 406.490 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507731601 NBIXMRQLHZMOTL-UXHICEINSA-N 414.554 1.533 30 10 HDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1507833883 LUSUDMFTPAELAS-UHFFFAOYSA-N 404.496 1.290 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507872225 BMWCVRRUVMPUQJ-OAHLLOKOSA-N 422.917 1.153 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508161753 NAPWVJPCJUJONB-DLBZAZTESA-N 409.556 1.433 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1508235539 GFMNOLICJJTDRN-UHFFFAOYSA-N 404.478 1.690 30 10 HDEE CC(C)NC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1509758270 OFANCEUCQOIMKY-MOPGFXCFSA-N 408.478 1.285 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1517218941 QJPQDCDJCCIGFS-SFHVURJKSA-N 407.482 1.899 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1520731916 MNSLGZFSRLYCAR-HIFRSBDPSA-N 417.514 1.882 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)CC1 1521121894 QNGRNRIHIVJUJI-SFHVURJKSA-N 416.526 1.726 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OC)[C@H]3CCC[C@@H](OC)C3)cc2C1=O 1527232765 IVEFZMXWGGUMHB-JOQOYGCGSA-N 414.458 1.945 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)ccc1F 1532343656 NHDVNXWNVLVPMM-HNNXBMFYSA-N 412.483 1.606 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1536220554 DASVJNGMKOPZFG-QFIPXVFZSA-N 416.522 1.519 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 1536642659 HMABOVNGJCSOIZ-UHFFFAOYSA-N 415.475 1.292 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1536668323 URDCZCKRHSNDSQ-FQEVSTJZSA-N 413.499 1.951 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)Nc3ccc(CCC#N)cc3)cnc21 1538018185 OZVQFTWMNWANKZ-UHFFFAOYSA-N 415.251 1.987 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539118616 CAVNCMFZEAMVJQ-JKSUJKDBSA-N 402.524 1.321 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1539239469 LKNWJGRQAMYRAS-QGZVFWFLSA-N 415.519 1.349 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1539253370 QOPWCZPKZZMRGX-LJQANCHMSA-N 418.906 1.221 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCCS(C)(=O)=O 1539288975 JQVACXHDWDAMCS-UHFFFAOYSA-N 400.504 1.673 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539428981 YWERVSKRZUOYIN-ROUUACIJSA-N 400.527 1.084 30 10 HDEE CN1CCO[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 1542161671 LYEZTRVBHKRITP-TYYMKKSVSA-N 422.507 1.075 30 10 HDEE CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccc(C#N)cn1 1546015665 HSJKPAIXYPIYBD-UHFFFAOYSA-N 402.480 1.686 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1555753519 QJEXJAMSGZAFAR-XWSJACJDSA-N 418.542 1.463 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCC(CCCO)CC1 1556023058 RWOXXOZOBKSBJY-ZZEZOPTASA-N 414.510 1.671 30 10 HDEE N#Cc1cn(CCC(=O)NCc2ccncc2OCc2ccccc2)c(=O)nc1O 1556554231 BBTFRXRISFDYAZ-UHFFFAOYSA-N 405.414 1.501 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)C1=O 1556844858 ILHCRLAOGDZMTN-CYBMUJFWSA-N 410.471 1.163 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1557363637 RJTNSDNAKSHGIG-CYBMUJFWSA-N 407.264 1.716 30 10 HDEE C=CCCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OC 1558380171 BLDAGXDLNYLWIV-KRWDZBQOSA-N 409.508 1.496 30 10 HDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@](C)(C#N)C1 1558602004 BSSCQWULMURSKW-MAUKXSAKSA-N 406.464 1.587 30 10 HDEE CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1558643221 PRYHGQOIYQLLFH-GDIGMMSISA-N 411.524 1.563 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1558743034 PNKJAGYUGHATHX-UHFFFAOYSA-N 401.467 1.515 30 10 HDEE C=C(C)[C@H](NCC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 1559767179 UOHDPSOQHOMXSM-SFHVURJKSA-N 401.479 1.712 30 10 HDEE C#CC1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CC1 1561686928 OYAHOZJGSGOXNH-UHFFFAOYSA-N 408.448 1.693 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)OC 1568154268 FGSQABKZOPSRDL-LSDHHAIUSA-N 407.858 1.805 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)cc1S(=O)(=O)NCC#N 1569232601 BJZCRQWRJDELHP-UHFFFAOYSA-N 417.466 1.293 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1587975111 NTWMAWCIJNVTPP-NRFANRHFSA-N 408.462 1.067 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1588090383 WGJPIRJDAWIYSO-AUSIDOKSSA-N 422.533 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC(=O)NCc1ccco1 1588113053 DWSQXXNWCIXNJI-UHFFFAOYSA-N 403.442 1.936 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1588198531 XFOCNXCYGHVXND-UHFFFAOYSA-N 407.499 1.857 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)COCCO2)CC1 1594192795 MCAHXLFUBJEPRN-KSSFIOAISA-N 413.544 1.096 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595544993 PGFXRVNIQBSABD-ROUUACIJSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1595556081 NDLAWXVHTVVPIQ-QGZVFWFLSA-N 419.913 1.676 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC=C)C1 1595723421 WGNLTYCZSBJECY-IAGOWNOFSA-N 410.540 1.554 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1595758995 CRWVQWOEXMZJNF-UHFFFAOYSA-N 422.555 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1595765581 DQUYXFWMUSJJLZ-UHFFFAOYSA-N 409.472 1.134 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1595797451 GWCNJPJNWUGFCT-UHFFFAOYSA-N 423.583 1.984 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1596660778 IDHDSWQQSAZJFO-OAHLLOKOSA-N 424.494 1.945 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1596696146 SATMYYAVRPODQX-UHFFFAOYSA-N 423.477 1.422 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCO1 1611796917 DOIPXBGYIZKVOW-MRXNPFEDSA-N 401.515 1.080 30 10 HDEE C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1612887507 XOEHKFSPCJODCV-CYBMUJFWSA-N 420.433 1.105 30 10 HDEE C=CCN(C(=O)C1=C(C)N(C)c2nnnn2C1)[C@@H](Cc1ccccc1)C(=O)OCC 1616305875 QJLOGHSUCAVYAV-SFHVURJKSA-N 410.478 1.586 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1616336407 NFHQVWLUXNDURX-TZDHZFECSA-N 414.405 1.565 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617613402 FFDOHXHGKOFVEW-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)c(=O)nc1O 1617887067 ZVLQWDCWBOERLC-UHFFFAOYSA-N 411.437 1.403 30 10 HDEE NC(=O)CCN(CC#CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCOc2ccccc21 1617925975 OAPGSQACCBRKRD-HXUWFJFHSA-N 417.465 1.987 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1620042963 PSGKIXQXLMWORQ-INIZCTEOSA-N 416.482 1.561 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H]2COCCO2)CCO1 1620354958 FFINJEXOPQLDDE-ROUUACIJSA-N 401.442 1.542 30 10 HDEE N#Cc1ccc([C@H]2CN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)CCO2)cc1 1620624470 YHLQLNYUQUYLAC-LJQANCHMSA-N 407.409 1.685 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)OCC)s1 1626805947 PGGYNCBDZLHBHH-GFCCVEGCSA-N 404.535 1.220 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)CC1 1627241437 IVBGORPGKJVARK-NRFANRHFSA-N 409.534 1.964 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCc2ccccc2)C(F)F)CC1 1627330534 LDTGFXWDNVXHJU-MRXNPFEDSA-N 414.478 1.048 30 10 HDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1627923511 SHXDAKUDYMYKSN-OAHLLOKOSA-N 415.537 1.452 30 10 HDEE C#CC1(O)CN(C(=O)NCc2cccc(S(=O)(=O)NCc3cccc(F)c3)c2)C1 1629862052 OMLPRAJLXTXPFU-UHFFFAOYSA-N 417.462 1.194 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1633731314 JLRSVKJPMGLDAX-SUMWQHHRSA-N 410.517 1.657 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 1635499557 WKYGRCGRZSEFHT-UHFFFAOYSA-N 408.524 1.112 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)C1=O 1635568227 NBIDRCITHWIISD-BEFAXECRSA-N 404.471 1.615 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c1 1635833694 GUERSBPHGWFDMN-QHCPKHFHSA-N 407.470 1.656 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1636469314 LOJNWZKQDVJLMR-IEBWSBKVSA-N 408.520 1.876 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1636699545 NXZPWLDABMRBGG-GCJKJVERSA-N 421.497 1.943 30 10 HDEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CCOCC1 1637881584 JRZYMBJLWGGJDJ-UHFFFAOYSA-N 409.464 1.062 30 10 HDEE C#CC[C@H]1CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1638339788 BUBUNSABNPMLSF-HOTGVXAUSA-N 413.540 1.465 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cn1 1640674934 JIPJTYVGHQSNTB-AWEZNQCLSA-N 406.368 1.740 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2c(C)cc(C#N)cc2C)c1 1641263564 ANMCNPVIRRPOCU-UHFFFAOYSA-N 400.460 1.452 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)CCCOc3ccc(C#N)cc3OC)C2)C1 1643874461 UPOUGXPINJMNIU-HXUWFJFHSA-N 401.419 1.646 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCCC2CCCCC2)c1=O 1644133851 PAKZWKTXBQEBHO-UHFFFAOYSA-N 418.494 1.310 30 10 HDEE CN1CCn2c(CNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)nnc2C1=O 1644777494 SCOQLEBJQBBYKT-UHFFFAOYSA-N 416.441 1.744 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(C)(N2CCC2)CC1 1646168588 IXPNYFIFWWRIJM-FVWXCPNNSA-N 404.536 1.748 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)c1 1660071036 LPUNHVAJYPVFSL-QRVBRYPASA-N 419.547 1.464 30 10 HDEE C#CCC1(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCOCC1 1665596761 PFIJSBTVRCMBDF-UHFFFAOYSA-N 418.515 1.801 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)CC1 1667840191 OFDCDSLJECWZBW-IBGZPJMESA-N 422.526 1.852 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1682170690 RGSHOIFEUQQDKP-HNNXBMFYSA-N 401.916 1.654 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccccc1 1683680576 FIOAWWAULLOPMU-FQEVSTJZSA-N 412.515 1.801 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)cc1 1684757108 JTEXZRMDKVHPDG-UHFFFAOYSA-N 409.446 1.880 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ncc(Br)s3)CC2)c1C#N 1684889778 IQRNYOOCYHSKMW-UHFFFAOYSA-N 424.328 1.851 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(F)cc3F)C2)CC1 1685493632 HXSYUIRDOXTZAW-CTYIDZIISA-N 412.462 1.006 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1 1690010067 VFQHOKYPCQKGDM-JOCHJYFZSA-N 410.474 1.577 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1690248154 KZOJYERTKRPCSX-HLIPFELVSA-N 410.522 1.947 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1690452006 VARSJUDQXPTVQM-GJZGRUSLSA-N 413.544 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690666747 FNWMNOFVDFQLRY-UHFFFAOYSA-N 415.457 1.782 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1690671550 YOXBYEVVYNBUTN-XGHQBKJUSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1690671879 BDACXLQQWNNLBN-INIZCTEOSA-N 411.510 1.701 30 10 HDEE CN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1696588225 AWUUPPNSKPXODI-OAHLLOKOSA-N 410.251 1.566 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1=O 1698076447 LYCDRLYDOUTJBV-PKOBYXMFSA-N 424.505 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705501927 AKDCWWCGZSWFFI-WMZOPIPTSA-N 424.505 1.920 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705532174 HSEIOTPOGINRNH-OALUTQOASA-N 414.554 1.328 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1705534585 MAQRBAOWHFOQPE-INIZCTEOSA-N 407.540 1.405 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCn1ccnc1C 1705587954 PTFQHWJFVMBEMW-UHFFFAOYSA-N 407.522 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(C)CN(C)C1=O 1705630815 HVIDCLMVNUUWAP-QFIPXVFZSA-N 411.506 1.730 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(O)CCO[C@H]2C)CC1 1705644287 LEKJZCYCLNSYGX-VWKPWSFCSA-N 403.527 1.297 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC(F)F)CC1 1705647572 GZDBGHIBQPHPED-HNNXBMFYSA-N 411.453 1.377 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705672505 AXGTWYMDVOUAPD-SQGPQFPESA-N 421.567 1.793 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC(C)C 1705712220 MMCUMSQUWTUVHQ-UHFFFAOYSA-N 409.498 1.848 30 10 HDEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705766991 WKVGYVVESNSAHE-INIZCTEOSA-N 404.540 1.722 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705888291 PVOLKKFTBPYDPF-GOEBONIOSA-N 401.492 1.249 30 10 HDEE C=CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1705893690 OJWZCAMJXUUZGD-GOSISDBHSA-N 413.544 1.024 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1705928284 OGFDUMJXCVNFML-IYBDPMFKSA-N 423.583 1.890 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1706936798 BOHOZRWXPZDQJF-GJZGRUSLSA-N 415.498 1.638 30 10 HDEE CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1709898723 AONOLNXIMRJCBZ-RHSMWYFYSA-N 416.457 1.764 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1C 1722349919 GJCASNVNHHWJLG-CVEARBPZSA-N 406.490 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C1CC1)N(C)C 1722382816 OIKPGTKJGFQWND-HXUWFJFHSA-N 401.518 1.930 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCN(C)C1 1722427688 RNSBKMQJBCNMFO-QFIPXVFZSA-N 413.522 1.318 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C)nc2)CC1 1722433323 QVPARBDGCXNAPU-QFIPXVFZSA-N 410.522 1.437 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722460503 XSCBEFDFCNYTST-SJORKVTESA-N 406.552 1.923 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(S(C)(=O)=O)CC1 1722501867 QSDSJQOLQKTYPV-CRAIPNDOSA-N 412.556 1.809 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)CC1 1722567133 LVICHXSUJQGKHJ-UHFFFAOYSA-N 402.524 1.456 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2nnn(C)n2)CC1 1722579297 NGSAQDWKBXXPKW-UHFFFAOYSA-N 413.511 1.244 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722620881 SWMAWQDTSKMOPK-CVEARBPZSA-N 402.499 1.862 30 10 HDEE CCc1nc(CCn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)no1 1727459453 SYYSDOVXQGXQCD-UGSOOPFHSA-N 407.450 1.632 30 10 HDEE CCCCN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1728025860 MOJCRPNFTCKCCA-BMRADRMJSA-N 403.487 1.179 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1740534485 ZENIMZGCRDBCLP-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1740547479 VRWBHEGJFQZZFD-CQSZACIVSA-N 417.477 1.310 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1740663951 BXLQGUQVTNWWQL-UHFFFAOYSA-N 412.519 1.898 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740691430 CTUSBFHPKVZSJF-HXUWFJFHSA-N 413.913 1.227 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H]1CC 1740959346 SJGKRTNZGVCYGH-UKRRQHHQSA-N 400.483 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(N)=O)C1 1740987566 WKFMQQXHROIKMH-AWEZNQCLSA-N 423.926 1.511 30 10 HDEE CC(C)c1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741357304 WLJZVCWWINJFIS-YJCBXQLOSA-N 414.510 1.935 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1748766527 RXEYTSYHKJIVSJ-HIFRSBDPSA-N 410.569 1.322 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1748801876 IIINJRZGOBLCFA-KRWDZBQOSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748818168 WTLFYBPFUJBYIY-IRXDYDNUSA-N 408.568 1.920 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1748991067 PRKIELNISZFKSX-PMACEKPBSA-N 421.549 1.287 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)CCOC)CC1 1748994770 QIROOCGIEBWFDU-UHFFFAOYSA-N 413.570 1.958 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCOC[C@H]1CCOC1 1749073728 XEARUSYAWGCBSP-XMSQKQJNSA-N 415.538 1.836 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749268665 FDHGZIOXVRSGGM-HOTGVXAUSA-N 422.961 1.714 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOCC2(C)C)CC1 1749323803 LVIDVUYSJBGCDL-UHFFFAOYSA-N 404.559 1.930 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cccn2C)n1CC(=O)N1CCOCC1 1749587487 WNFXRNHXFRKXAF-UHFFFAOYSA-N 424.505 1.971 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1c(C)noc1C 1749821547 CSTOHUFJFQAWCO-UHFFFAOYSA-N 415.498 1.728 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@H]2CO)C1 1750380682 WZDARMLLEDGEPO-JXFKEZNVSA-N 414.489 1.414 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1750387132 RIRMFSYHAUKLKG-HIFRSBDPSA-N 414.432 1.885 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750535139 MDGRLWIKUUFNIC-JKSUJKDBSA-N 413.434 1.614 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1760187117 HXNVTSLFPGCGSS-DLBZAZTESA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1760193005 QXGSHQACPZLDDH-GOSISDBHSA-N 417.535 1.387 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1760224995 DVRJJBJJSUXNIB-OAHLLOKOSA-N 405.524 1.713 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1760342572 GTJLJJVFCQGFCS-AWEZNQCLSA-N 420.539 1.472 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1760457454 SNAOAHSNBZTMMV-HNNXBMFYSA-N 406.556 1.768 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1760513593 MMEOCKVDPPUUJU-RTBURBONSA-N 415.586 1.581 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1OCCC1(C)C 1761473427 PVVHAIFLQRANCL-GOEBONIOSA-N 424.571 1.833 30 10 HDEE COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1770139665 CVOSDIZQGUGVAV-FQEVSTJZSA-N 404.515 1.697 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 1850310465 XGQAGMKEPQQIEW-SFHVURJKSA-N 421.563 1.557 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCO[C@H](C#N)C1 1850775167 DFDAJDOFCYZCCT-WBMJQRKESA-N 417.890 1.923 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C#N)c[nH]1 1851303180 PXNAAXVFBKMZSE-LLVKDONJSA-N 400.236 1.833 30 10 HDEE COc1c2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2nn1C 1851723310 GNJNTDJXWIESDH-UHFFFAOYSA-N 420.473 1.828 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2)CC1 1852270473 YCTRWXFIOXDVAV-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE Cc1csc2nc(COCCN3CCN(c4ccc(C#N)cn4)CC3)cc(=O)n12 1852457873 FHDCNWFIHCZVGJ-UHFFFAOYSA-N 410.503 1.670 30 10 HDEE CN1C[C@@H](C(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)CC1=O 1852919034 GAJWIPLICLPKGR-INIZCTEOSA-N 415.453 1.928 30 10 HDEE Cc1nc(CN2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)cs1 1853695098 ZUWPYTMEXDWHHO-LJQANCHMSA-N 409.515 1.882 30 10 HDEE C[C@@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)CCCn3ncccc3=O)C2)CC1 1853889409 ZCETZWRZZBVACN-HKUYNNGSSA-N 413.522 1.803 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)c1 1854028868 LVUIUQMNHSFWJD-UHFFFAOYSA-N 411.483 1.990 30 10 HDEE CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854415114 YUXCSCDXIFLJLA-UHFFFAOYSA-N 418.519 1.593 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(CCC#N)[C@H](C)C3=O)n2)cc1 1856189575 QWZGNJBZIVQMOT-SJORKVTESA-N 407.474 1.753 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235253 DSJFTKPLMNHDRK-DOTOQJQBSA-N 416.501 1.618 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCCC2 1856637570 QKQCRQAVJKLSJL-QGZVFWFLSA-N 416.522 1.301 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(Cc4cccnc4)CC3)CC2=O)c1 1856639068 HDVBGLXBVYOKNA-HXUWFJFHSA-N 403.486 1.760 30 10 HDEE CC(=O)CCC(=O)N1CCN([C@H]2CCN(CCOc3ccc(C#N)cc3)C2)CC1=O 1856642049 CKAOGCNGJIOYQQ-IBGZPJMESA-N 412.490 1.051 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C(=O)C2)C1 1856837280 LGNLAVFGTWJYHI-INIZCTEOSA-N 417.506 1.647 30 10 HDEE Cn1nccc1C(=O)N1CC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857035847 DAOJDFYCEJJXKE-SFHVURJKSA-N 408.462 1.219 30 10 HDEE COc1ccccc1OCC(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857175463 LPLNTFBGSHAYDX-QGZVFWFLSA-N 400.479 1.123 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cnn(-c4ccccc4)n3)C1)CC2 1857220428 QYAVMJJSTNQPJH-IRXDYDNUSA-N 404.474 1.882 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(O)c2)c1 1862554642 HRGYHHRPEVPDNN-FQEVSTJZSA-N 423.469 1.885 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H]3C[C@@H](O)CN3)sc2c1 1866041791 FEQPGEPTOISCTB-IUODEOHRSA-N 422.532 1.320 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(N(C)C)cc1 1871260785 ZMOTUJCGLBOGCJ-UHFFFAOYSA-N 414.506 1.590 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602741 CPMOJFQLUSSAKI-UHFFFAOYSA-N 423.565 1.998 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882611324 ZHRVEBNOVXTQHO-JWRCQZCYSA-N 424.519 1.929 30 10 HDEE CCn1c(=O)c2cc(S(=O)(=O)NCc3ccc(C#N)s3)ccc2n(CC)c1=O 1891265905 ALGIZLHEQPRHGJ-UHFFFAOYSA-N 418.500 1.615 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025898770 HBCBXNKHOZXEMX-CQSZACIVSA-N 421.303 1.859 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](CS(=O)(=O)N1CCOCC1)NCC 2145729208 YSYJOJBIDOCWQW-CVEARBPZSA-N 405.561 1.486 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174789515 RHOMECMTSLDRBB-RBSFLKMASA-N 402.517 1.127 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2196369877 XYYQBTPUKMZJOQ-LSDHHAIUSA-N 400.545 1.996 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221688302 LWWAJGDLVMOCMX-HIFRSBDPSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244546772 QIRWYKZIELCLBP-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825444 DSWNZQYALNHBEV-CQSZACIVSA-N 422.335 1.988 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247837964 AMYIYLXQVITLKM-KRWDZBQOSA-N 416.205 1.862 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)n1 2247917217 IVBPMFXDWAHEHD-UHFFFAOYSA-N 420.319 1.551 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCC1 2270513396 FTVPDVIGMMUJEO-QZTJIDSGSA-N 422.503 1.566 30 10 HDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270538774 IXDKDOHFNFJANF-ZWKOTPCHSA-N 422.503 1.677 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCS(=O)(=O)C(F)F)s1 2281944126 QQSYBYKBNOIPJR-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE CO[C@H]1C[C@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281969632 NNNDTCMYKYIMSI-MNOVXSKESA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CCN[C@H]4C3)cc2Cl)OC1(C)C 2282307182 YGTKUWYDXVNEHT-JQWIXIFHSA-N 418.777 1.683 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCN[C@H]4C[C@@H]43)cc2Cl)OC1(C)C 2282317594 TXOYYPPCKGVCDT-JLLWLGSASA-N 418.777 1.729 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCO[C@@H]2CC2(F)F)OC1(C)C 2282492618 RZUOPBRNWDXVLG-GFCCVEGCSA-N 409.285 1.750 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282492759 SOMYGUVJNBKVAJ-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](O)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282507143 CGKAHDBXCKZOQV-GFCCVEGCSA-N 401.359 1.808 30 10 HDEE COc1cc(C(=O)N2CCCC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282564680 XXRAUWCEMOHCGM-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282859711 POLHFGHCVMVXID-CANCMXDXSA-N 401.359 1.373 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@](C)(O)C3)ccc2Cl)OC1(C)C 2282867178 VDTZWYINSIEAAN-KRWDZBQOSA-N 401.721 1.785 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@H]1C(=O)O 2284406048 SVIGXFWUDRIXEN-HBNTYKKESA-N 401.315 1.435 30 10 HDEE C[C@H](ONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284416070 TZEOYNMRUKVJSR-VIFPVBQESA-N 405.665 1.322 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360572916 YSEYWERNOHFLLV-NSHDSACASA-N 401.230 1.853 30 10 HDEE COC1(C#C[C@@H](N)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCCCC1 2363724909 IULIIWWHMSRJQK-CVEARBPZSA-N 402.557 1.994 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365203360 SGSLCKYBXUSUDA-VGWMRTNUSA-N 400.541 1.555 30 10 HDEE CN(C)S(=O)(=O)CCCNC(=O)c1sccc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c1nc(C)cc(C)n1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 10382042 TXAQMJXJKDPGFB-JKSUJKDBSA-N 409.494 1.872 30 10 HDEE C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)CCC(=O)OCCC)cc1 13997281 ZXTRTDCEGNQRDP-UHFFFAOYSA-N 413.521 1.697 30 10 HDEE N#CCc1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 45010887 DYFMKLWTENLHAB-UHFFFAOYSA-N 401.444 1.731 30 10 HDEE Cc1cccc(CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)c1 59914457 RGQILVCMGUVMBX-KEBDBYFISA-N 400.512 1.844 30 10 HDEE Cc1cc(Br)c(S(=O)(=O)N[C@@H](C)/C(N)=N/O)cc1Br 158629811 KFXPYGMVWYWIAU-LURJTMIESA-N 415.107 1.933 30 10 HDEE CC(C)CNC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253565135 HIWJRWCHYYGMPB-REZTVBANSA-N 422.427 1.931 30 10 HDEE COc1ccc(Br)cc1C=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1C 254520461 OCUQRJMLFDUGCS-UHFFFAOYSA-N 421.255 1.188 30 10 HDEE Cc1cc2c(N3CCN(S(=O)(=O)c4cccnc4C#N)CC3)ncnc2s1 428417569 CYMZFKPMDKXUSD-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2ccc(N(C)C)nc2)cc1 434448070 HKOMXYMBMQQGGG-UHFFFAOYSA-N 417.491 1.531 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 437511055 AIKNJLCTBVNWLY-DLBZAZTESA-N 410.540 1.525 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCCC)c(Cl)c2)CC1 437844688 OURSAJUTAVKRIG-UHFFFAOYSA-N 421.929 1.932 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CNC(=O)COc2ccccc2)CC1 438620119 GFZDOVFCHYWVFD-UHFFFAOYSA-N 408.458 1.955 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 461551693 PFXNZEVHVHYQED-NJAFHUGGSA-N 424.505 1.855 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461753898 YREMJKQXBXSVLG-UHFFFAOYSA-N 408.443 1.856 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CCC[C@H]1[C@H](C#N)c1ccccc1)c(=O)n2C 464818919 AEYOJQBNQDOMCI-MSOLQXFVSA-N 406.490 1.596 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 469405985 NLBLICUPFHAIAQ-SQGPQFPESA-N 401.511 1.379 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCC1 474595590 QDHGFOSNGPVREO-UHFFFAOYSA-N 417.940 1.670 30 10 HDEE N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(CC(=O)N2CCOCC2)CC1 488108840 ISRNUVRCIDXTIW-UHFFFAOYSA-N 401.417 1.365 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)c2ccccc2)cc1 504915404 QFTAMBGJDAGFHM-UHFFFAOYSA-N 401.488 1.701 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 508886212 YDFXIXKYAONHJE-HWRSSNJWSA-N 400.570 1.494 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)N3CCCCCC3)CC2)c1 513791885 WOMIGYCWGQHYHY-UHFFFAOYSA-N 418.563 1.352 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)CC1 515741757 GAIJTFSGXYTRSR-UHFFFAOYSA-N 415.450 1.488 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 523305575 GLTPCJNOXQRWDX-KRWDZBQOSA-N 424.522 1.970 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N(CC)CC)cc21 526845631 RJLHKNHMYYLGNN-POXGOYDTSA-N 406.504 1.786 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 535844040 GNONGAGLWRGDGA-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE N#Cc1ccccc1-c1ccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1 536884429 CWAGFZDHOUZGPN-UHFFFAOYSA-N 409.471 1.776 30 10 HDEE O=C(NCC#Cc1ccccc1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 540556536 DDROXOQCVDBPBJ-VXKWHMMOSA-N 402.498 1.936 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cc1 542635929 XTOZRQBEELTXCM-KRWDZBQOSA-N 406.508 1.786 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3c[nH]c4nccc(Cl)c34)CC2)n1 546885512 PLZYILSHNNIXGK-UHFFFAOYSA-N 402.867 1.994 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 546926323 VWNQBKPWXCDTJF-SXGZJXTBSA-N 407.536 1.919 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)C(=O)C1 549655116 NGQOVBFHKSZYGY-UHFFFAOYSA-N 405.466 1.308 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 558985828 DYNRREUSUORISU-HUUCEWRRSA-N 406.512 1.517 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 560814351 LIENQAHTYMRRFB-ZBFHGGJFSA-N 406.508 1.132 30 10 HDEE CN(C)CCNC(=O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 569527534 BZUVRASCZWHENX-UHFFFAOYSA-N 410.482 1.061 30 10 HDEE CN(C)C(=O)C[C@H]1CCOC2(CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 581786290 QJESZJDRDJTBKB-QGZVFWFLSA-N 405.520 1.986 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669804700 SCIGAUGCCTVRHJ-FXAWDEMLSA-N 409.538 1.905 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 685547069 LMDTZRMOGOKWAD-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C#C[C@@]1(O)CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 708091032 UUVMJKRPAQLWOV-GFCCVEGCSA-N 424.114 1.553 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 727159620 NWMVVGCEENKMOT-GOEBONIOSA-N 421.519 1.551 30 10 HDEE CCOCCOCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732707847 GCGQCMIAQMJBDW-LJQANCHMSA-N 400.479 1.377 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)Nc2cnn(CC(=O)NC)c2)ccc1OC 733652323 BQHZRIYQIPBTOA-OAHLLOKOSA-N 400.439 1.640 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCc2csc(CC(=O)NC)n2)cc1 748498558 BAUQWNKOUSTYDD-UHFFFAOYSA-N 409.489 1.253 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)C(=O)C2)cc1 748946083 WNIYASMYRAWTBH-HEHNFIMWSA-N 419.507 1.338 30 10 HDEE Cc1cc2c(N3CCN(c4cccc(S(N)(=O)=O)c4C#N)CC3)ncnc2s1 755030690 OMIXYYYVCZWFBL-UHFFFAOYSA-N 414.516 1.845 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(CCO)CCOC1 762576975 WCJXZDFRWXSGFK-FQEVSTJZSA-N 423.535 1.191 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766770069 VDNZWJKOENAJLX-WBVHZDCISA-N 417.462 1.979 30 10 HDEE C=C(C)CCOC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 771615672 HMXUCEDIWXKHCO-OAHLLOKOSA-N 423.940 1.931 30 10 HDEE C#CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 774034142 FOUUIMDQRMJZHT-LLVKDONJSA-N 403.363 1.850 30 10 HDEE C#CCN(C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 774191611 ZQZHXOQCEPXSKQ-MRXNPFEDSA-N 413.540 1.465 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 774681181 ZHRQYRDEKNQSRK-FVJLSDCUSA-N 414.462 1.325 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](O)c2ccccc2)c1 776600560 JUWVQDQFDFJPSP-SJORKVTESA-N 404.444 1.068 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780207233 VOPMZZCYTAKEKN-IBGZPJMESA-N 401.463 1.240 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@@H](O)c1ccc(C#N)cc1 780862652 OCVAAJOQGHTBQQ-IBGZPJMESA-N 401.488 1.736 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)cc2)CC1 781596213 XZPLADRYAVEHBM-UHFFFAOYSA-N 416.478 1.958 30 10 HDEE N#Cc1cccnc1NCCNC(=O)C(=O)NCc1csc(-c2ccccc2)n1 787755396 LNFROXSCNLZWET-UHFFFAOYSA-N 406.471 1.921 30 10 HDEE COc1cc(C)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1C(C)C 788618561 AXKXNZCPXBEUQV-HNENSFHCSA-N 407.492 1.932 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCCO2 789968164 LFMPDYHPNWSTFS-ZDUSSCGKSA-N 414.491 1.934 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1 791028873 MCZDPNPSWXVCEN-DLBZAZTESA-N 409.471 1.306 30 10 HDEE C[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 793930263 AYNQGPYMPGLKPU-KGLIPLIRSA-N 406.508 1.021 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 800099708 SWFKUDDNHAJOAB-QGZVFWFLSA-N 405.568 1.644 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 802500230 QNCHPSSSILTYCQ-IRXDYDNUSA-N 404.492 1.125 30 10 HDEE C#CCn1c(-c2cnn(C)n2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1 803170369 PHKJHJOOIRSTDS-UHFFFAOYSA-N 402.505 1.461 30 10 HDEE CCN(CCNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)C(=O)OC(C)(C)C 804257306 YDUZDKFXFOXPLW-UHFFFAOYSA-N 404.467 1.556 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 810516519 BHAIAWPXAMUGAS-HNNXBMFYSA-N 411.455 1.709 30 10 HDEE C=CCNC(=O)COC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 810833715 ASLSTHPTXXJXHU-YEYGNOCGSA-N 420.465 1.311 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 812038089 GLJMKWATTQRDPB-XDSRXIPYSA-N 416.453 1.289 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(F)(c2ccccn2)CC1 819733307 JRMKFELPJZLBHU-UHFFFAOYSA-N 402.451 1.608 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 918616897 NXSLDCYOYJXXFD-ODUIBEPXSA-N 418.475 1.849 30 10 HDEE C=C[C@H](CC)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1124605299 WPYQTWCTAUJTOJ-CYBMUJFWSA-N 400.522 1.970 30 10 HDEE C=CC1(CC(=O)NCCS(=O)(=O)C2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1141126949 BEXZRHDIMINMPC-UHFFFAOYSA-N 416.540 1.510 30 10 HDEE COCC#CC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1141995893 BIIDOSLPUXKEJR-UHFFFAOYSA-N 412.227 1.225 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 1152967217 AOYMVJRPJQCBTD-UHFFFAOYSA-N 424.498 1.036 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCCN2CCO)C1 1158995808 XSLMTDVHXGGFNB-KRWDZBQOSA-N 421.339 1.720 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1159455892 PEDIZVAWQVORBP-UHFFFAOYSA-N 409.533 1.640 30 10 HDEE COC(=O)c1sccc1NC(=O)Cn1cc(C#N)c(I)n1 1166399366 DDTBRYCVVKKJAZ-UHFFFAOYSA-N 416.200 1.846 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)CCOCC1 1168925851 VFSFFOWYYJGNTQ-KRWDZBQOSA-N 404.486 1.453 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1OC 1177740244 FDWOEUIBSLYBEB-NTMALXAHSA-N 401.507 1.896 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1248374570 CJSIAQUTTXQDOD-ZWKOTPCHSA-N 412.494 1.056 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1253534096 YGAJLSCPBRFLPG-INIZCTEOSA-N 408.503 1.852 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1286313709 DRDIBMBJYQSZCP-UHFFFAOYSA-N 403.531 1.461 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1OC 1286467673 SMNSEOBLANZNTL-GVDBMIGSSA-N 410.540 1.081 30 10 HDEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1286616741 CCRAPKKZAKXVDC-OALUTQOASA-N 411.506 1.837 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286774666 AMZPSDPQIRZEEC-NSHDSACASA-N 420.520 1.713 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCN1CCOCC1 1286786562 HDXKUJPXJYLCCC-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1290674362 FFQBCTNCAXKJSI-WFASDCNBSA-N 402.252 1.917 30 10 HDEE C#CCN(C(=O)C[C@](C)(O)C1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299456794 DCWRYNAGIBXAKV-HLXOMJDXSA-N 400.519 1.414 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1300509289 IYJYREHOALEAAO-VPWXQRGCSA-N 419.551 1.166 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC=CO1 1300528565 ZIVLBNLFHLEHIU-QGZVFWFLSA-N 414.469 1.958 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300613806 PTAQMZNRAJXYBL-VZCXRCSSSA-N 415.457 1.803 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1300618507 HBVHXTOGQWJAGP-UHFFFAOYSA-N 412.523 1.480 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CC(OCC)C2)CC1 1300680477 CRVULEFAUIZCBF-UHFFFAOYSA-N 402.543 1.377 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1301520813 PVRMSUBXFWQABK-OXQOHEQNSA-N 407.515 1.094 30 10 HDEE COCCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1301591158 VEOMOHLZMZBDOS-ZPHPHTNESA-N 411.466 1.339 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1301964496 BAHVMMWEZVYWGR-CABCVRRESA-N 418.571 1.784 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1301999762 IRBRFGUGRJRLNV-CQSZACIVSA-N 411.528 1.319 30 10 HDEE COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1302238778 VEDFPYJVUFHQNX-GVDBMIGSSA-N 407.515 1.588 30 10 HDEE CCc1nc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cs1 1306040309 YQYHQIRXDNIVEN-MRXNPFEDSA-N 412.523 1.936 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1306478625 BVKFJRKHFSCZAX-JUPLKNRCSA-N 404.540 1.323 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1312761522 SMNQRZQKLIEJGS-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1)[C@H]1CCS(=O)(=O)C1 1313180269 ZHLACUGGRIPUDU-VQTJNVASSA-N 419.547 1.028 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1313491636 HEKVGVFRUUMUOJ-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@H]2CCOC2)[n+]2cc(O)ccc2C)c1 1324298293 LVJKIGUFYAZNDH-CYBMUJFWSA-O 419.479 1.933 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1358956085 ABINPTXKAOEYCF-SFHVURJKSA-N 404.540 1.567 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1359036534 YTDCDZVCBPRBHN-SFHVURJKSA-N 413.497 1.928 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359151550 WTNWVBXZUMVDNV-IRXDYDNUSA-N 424.977 1.961 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1359275946 LWXWTEATKLRYMI-SFHVURJKSA-N 415.494 1.758 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](OC)C(C)(C)C1 1359290990 AAQKURJMGBCZKX-HNNXBMFYSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](OC)C(C)(C)C1 1359290991 AAQKURJMGBCZKX-OAHLLOKOSA-N 406.531 1.360 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1360471176 CNKDVUJDJFSDTO-RMYFCYLKSA-N 408.466 1.548 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1C[C@@H](N(C)C)C1 1452526118 XETPQUIBOOCEGE-HLLBOEOZSA-N 406.552 1.740 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)/C=C\CN4CCOCC4)CC3)n[nH]2)cc1 1452956598 SBOUZNCILZAHBE-UPHRSURJSA-N 406.490 1.485 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1[N+](=O)[O-] 1458472876 JPXYYHIKYJZAKH-UHFFFAOYSA-N 402.436 1.018 30 10 HDEE COC(=O)c1ccc(N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)n1 1458729418 TWEWCBBEALPWQT-FQEVSTJZSA-N 402.451 1.956 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1ccc(C#N)cn1 1468690268 DTLBOVZYLXEAAY-KRWDZBQOSA-N 403.483 1.625 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1 1469917069 KXHPFROLBOOVGQ-KBPBESRZSA-N 411.553 1.169 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCS(=O)(=O)C1 1470592175 ADJJTWUQFJOLKW-AEFFLSMTSA-N 405.520 1.353 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](OC)C[C@@]3(C)C(=O)OC)n[nH]2)c1C 1471029669 HWKGWFSMKYRNBT-VLIAUNLRSA-N 401.467 1.869 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(c4cccc(F)c4C#N)CC3)CCCO2)cn1 1471523595 YVLQGIHRNWSSCR-OAQYLSRUSA-N 412.469 1.968 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cnc4n3CCOC4)CC2)c(Cl)c1 1471550063 RVWAFYXZWKDNIY-UHFFFAOYSA-N 400.870 1.970 30 10 HDEE COC(=O)[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H]2C[C@H]21 1472006854 ABXMZNKGEURYSV-AQFIFQLPSA-N 401.850 1.878 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1472131759 TWISGTRNQYXKBZ-CQSZACIVSA-N 404.471 1.167 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)s1 1472579895 JVUHMDCAYWLCPH-MRXNPFEDSA-N 400.460 1.796 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494419620 DZEQRPZKVKFTGA-FZFLATATSA-N 423.477 1.015 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1503397847 GSWJDPRKRKRIAA-OXJNMPFZSA-N 422.599 1.898 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507560278 FRKYVQBLOUGUTQ-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CN(CC(C)C)CCO1 1507604991 KOZWSRUGSVLCLH-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1507637454 KGTPTHORLAOFTE-HUUCEWRRSA-N 410.565 1.652 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1507719358 NKDPQTSGFYSCKB-FCHUYYIVSA-N 417.554 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCCCC2)CC1 1507738034 IGUQVYQSHAXSES-UHFFFAOYSA-N 423.521 1.396 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507949059 XVMCXLSWVLSXRZ-OAHLLOKOSA-N 402.499 1.659 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1507958661 AQCLPYUVLOHCAI-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508057524 DSMZNQPZRFWAFD-ZDUSSCGKSA-N 402.528 1.546 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1508087235 OFQZLSJSRQHOLE-QZTJIDSGSA-N 424.505 1.418 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508092228 YIOJORUQJOBOES-UHFFFAOYSA-N 400.527 1.733 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC[C@H]1C 1508131674 OSJHKIBCMJPWMK-JKSUJKDBSA-N 409.556 1.740 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cs1 1511545849 LSALAVCBPWAYAJ-RHSMWYFYSA-N 417.539 1.083 30 10 HDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1513494988 JUNHYNMBOOHRQV-HTAPYJJXSA-N 424.505 1.870 30 10 HDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1514022609 LBBJMSHWXDZPJZ-PLGXQAJASA-N 422.493 1.886 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1516858615 LAVYJEIGPHXJOL-WRONEBCDSA-N 412.519 1.302 30 10 HDEE CN(CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)CC(F)(F)F 1517310889 DXOATNSINFYZEO-IYBDPMFKSA-N 422.411 1.872 30 10 HDEE CN(C)C(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F 1528148809 GTOIQDZSPOYKST-INIZCTEOSA-N 419.425 1.903 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1532448813 LVRJMCSSCGHUSX-ZNMIVQPWSA-N 409.508 1.199 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1534576593 IZBQXJGSSLZZEE-UHFFFAOYSA-N 418.519 1.369 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1 1539038578 RWIJPBRWCJFNQT-BOSXTWCSSA-N 407.584 1.897 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1539185254 CIDQPZLYWMIMHM-UHFFFAOYSA-N 410.503 1.223 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1539758097 GZQRVJXWYHEVPO-CQSZACIVSA-N 417.432 1.761 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540034100 WIGASYBZRXKVOZ-HZPDHXFCSA-N 420.514 1.537 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCCC2)C1 1540869237 GKKUMJSZDQAPTM-MRXNPFEDSA-N 416.526 1.461 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1542895082 ZFWQNBSTSBHGST-RTBURBONSA-N 412.534 1.198 30 10 HDEE C=CCCn1cc(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1 1544794701 BQKDZBZCKLSPFD-UHFFFAOYSA-N 418.397 1.957 30 10 HDEE C[C@@H]1N(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1545138822 FLGLTMRYRNJTQV-VDMFXUGISA-N 400.483 1.686 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1545886016 PCTQDQHOFOCXHM-ZWKOTPCHSA-N 405.458 1.296 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1554239070 AUYVOFASGSRMKW-MRXNPFEDSA-N 418.523 1.181 30 10 HDEE CNC(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)c1 1554411260 GQWLVRRPSBURDD-INIZCTEOSA-N 423.521 1.712 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1555374842 DGDFIPCNIPNQJK-KRWDZBQOSA-N 424.505 1.728 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1556959504 CRLSYAHFYICCBD-AEFFLSMTSA-N 417.487 1.465 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)CC2=O)cc1 1558075775 GCDSTAGGXZRWNN-MRXNPFEDSA-N 424.482 1.143 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2cccc(F)c2)c1 1566328349 SGUNLEUXOHCITI-KRWDZBQOSA-N 405.447 1.792 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NCc3cc(F)c(C#N)c(F)c3)ccc21 1567950761 AUECEWIWBUFDAK-UHFFFAOYSA-N 412.396 1.792 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(N)(=O)=O)ccc1Br 1568548647 KZQMAEAVGOOEIU-UHFFFAOYSA-N 404.330 1.676 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)c1 1569232947 PVZWSYSPURWDQK-UHFFFAOYSA-N 402.451 1.095 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(OC)c(OC)cc1I 1584771328 SXROXBXZENRAST-JTQLQIEISA-N 401.200 1.783 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 1587691622 YOKCQNXBSUHGLZ-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1587793188 JDDBSYCCWHZIPH-QGZVFWFLSA-N 423.525 1.771 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1587989648 LYHBHSNVXFYUGD-KRWDZBQOSA-N 410.503 1.484 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1588030667 ZJEOZPSIEMCEBI-INIZCTEOSA-N 417.535 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1588233427 IVQMRDICQLKLJE-XXBNENTESA-N 419.485 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1588619787 FUUDRMPARHDCPD-OALUTQOASA-N 412.538 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1588637819 KSWOHEIJKZILLT-OAHLLOKOSA-N 418.885 1.443 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCOC)CC1 1588955177 PXBSBMQZECSDDO-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1589216881 ZXYHWURKMASFED-CBGDNZLLSA-N 401.511 1.269 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1593630783 OJUTZFYDFAOZEU-GOSISDBHSA-N 403.527 1.823 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1594962357 KIXRJJUVSASMOE-IFXJQAMLSA-N 408.499 1.849 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)s1 1595269864 FJKCMXHHAMGYQF-PWSUYJOCSA-N 412.455 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@H](C)C1 1595823549 PAJAEUCEAQIVAG-HUUCEWRRSA-N 406.556 1.833 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595896336 XNTZGKYNKLGHCL-IAGOWNOFSA-N 421.567 1.704 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3ccncc3)CC2)c1 1611482176 TURYRYCIHARYCD-UHFFFAOYSA-N 400.504 1.898 30 10 HDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1611965333 UWZKONSKFWJPFT-LSDHHAIUSA-N 400.483 1.866 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1614955593 DSFDXADQALRNBE-INIZCTEOSA-N 413.438 1.498 30 10 HDEE O=C(NCC#CCO)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1617908234 VDNIHMREXSTLKN-ZHRRBRCNSA-N 420.465 1.483 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccn(C)n1 1618252340 PITVPBQIGOQFID-UHFFFAOYSA-N 413.507 1.469 30 10 HDEE C#CCC1(NCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)CCOCC1 1620593053 DZLNRNIPCTXQKQ-UHFFFAOYSA-N 421.519 1.693 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CCC2=O)cn1 1623734382 SKOBQOAORXRKRM-OAHLLOKOSA-N 410.453 1.523 30 10 HDEE CCn1ncn(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c1=O 1628810467 FUAPIUNOHJBBJP-INIZCTEOSA-N 412.450 1.541 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 1629103539 RUDKIGNZDZYNRR-UHFFFAOYSA-N 418.450 1.285 30 10 HDEE C#CCN(CC(=O)N1CCC(C(=O)Nc2nncs2)CC1)C(=O)OC(C)(C)C 1630479908 YEDRXUVDWKLABY-UHFFFAOYSA-N 407.496 1.586 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1 1633522213 CHLAJFFMJXHBIH-MRXNPFEDSA-N 401.529 1.774 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnccc1C(F)(F)F 1633531169 GWZVNKMJBXGGRB-LLVKDONJSA-N 412.393 1.955 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1634174710 NGVPXRIOXDSRHE-OAHLLOKOSA-N 409.494 1.220 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C(=O)OC)[C@H]1CCOC1 1637689028 YYLBSEBOEZDVEP-MJBXVCDLSA-N 404.891 1.964 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nc(C)no1 1639513983 HZOIMSKWFUYSBO-AWEZNQCLSA-N 405.480 1.634 30 10 HDEE C#C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CCOCC1 1640925664 NRNVNKPNTBUCJD-MRXNPFEDSA-N 414.321 1.909 30 10 HDEE Cc1c(C(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cnn1CCC#N 1641036451 NUTPDOKKTZRNBO-HXUWFJFHSA-N 403.483 1.957 30 10 HDEE C[C@@H](Sc1nc2ccccc2s1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1641970176 APWPZULVLIQADW-SNVBAGLBSA-N 401.473 1.727 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 1643453422 GZJVVHAWDWQNEL-GOSISDBHSA-N 423.517 1.941 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(NC3CCCCC3)n2)CC1 1650849196 XKBNNGBLUYHAIP-UHFFFAOYSA-N 411.553 1.113 30 10 HDEE COCCN(CCC(=O)OC)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1652476032 HAZZVXRXBQNKGU-LJQANCHMSA-N 420.485 1.046 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1655732692 NSWWJWFWFITCRM-FHWLQOOXSA-N 424.519 1.535 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CC1 1660460865 BIDLBYWBRUCTSG-UHFFFAOYSA-N 410.927 1.920 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(Cc1ccc(C#N)cc1Br)C2 1660567341 GPLMBJVFTBULGR-OAHLLOKOSA-N 403.284 1.693 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCc2nc(C(N)=O)cs2)cc1Br 1663182435 BXYMGPUMZVNUHC-UHFFFAOYSA-N 419.257 1.494 30 10 HDEE C[C@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1cccc(C#N)c1 1675932773 MTAVJHIDKSHUTQ-INIZCTEOSA-N 407.474 1.693 30 10 HDEE COCCC1(NC(=O)NCCn2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)CC1 1682388627 FZJJASDNKZFGDZ-UHFFFAOYSA-N 421.502 1.255 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1682436664 MQYFCUUTBSOMLO-IRTFSXLWSA-N 423.510 1.818 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1686083701 DESWJNXFMZWBPR-QZTJIDSGSA-N 412.494 1.547 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@@H](C)O)cc2)CC1 1690131052 SPPSBTUWJPNQOA-GOSISDBHSA-N 422.533 1.257 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1690601268 WGRPPQKBOGUTOG-UHFFFAOYSA-N 413.526 1.600 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690661291 YVKANNOIJAVWJY-HTAPYJJXSA-N 410.522 1.824 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(F)c2)C1 1690686427 NTEMYOPZUPUEBI-WMLDXEAASA-N 423.514 1.857 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1691477237 KWHKPFCUWRRKSR-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697041870 CIQXEGNFDAWNGV-UWZWCOGJSA-N 416.482 1.101 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697116621 FHJFPLLMNYRQKJ-CVEARBPZSA-N 421.509 1.695 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(F)c(F)c1F)[C@H]1CCS(=O)(=O)C1 1705561572 RGSDTGDKLFDOLZ-AWEZNQCLSA-N 412.437 1.873 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705565772 JZYYITBLKCISEP-MHORFTMASA-N 424.567 1.470 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)CC1 1705641987 BMEXHFQZODKQCE-UHFFFAOYSA-N 414.432 1.082 30 10 HDEE C=C(C)COCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705740756 WFOLWRUHBMHHJI-GHTZIAJQSA-N 421.542 1.044 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705810880 KKDMHEQIYRFWMZ-FQEVSTJZSA-N 411.466 1.923 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)C1 1708084740 DTPKOQJHWWDSBV-BZUAXINKSA-N 411.576 1.359 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1722296962 WNARNZTZPCKRNM-HZPDHXFCSA-N 419.526 1.959 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCCN1CCC(O)CC1 1722361491 FGGHAUXAPWQMHE-UHFFFAOYSA-N 413.522 1.782 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722370066 KUZACJZHOSBCOB-VSZNYVQBSA-N 422.551 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1722386251 YNMHLDDAIFBBMK-UHFFFAOYSA-N 410.522 1.122 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722453211 PJCJSDIUYSUWGT-LSDHHAIUSA-N 421.523 1.677 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1722467667 VNWGJVKYVAYUBE-DNVCBOLYSA-N 402.524 1.632 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722523238 JDVRKRHDNUUGCJ-SJORKVTESA-N 402.543 1.537 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1722532697 UFOPOCDBFZJDAZ-KRWDZBQOSA-N 418.542 1.707 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1722672573 UFGUZSQJUQFCLW-KRWDZBQOSA-N 423.583 1.469 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)[C@@H](F)C1 1722706659 WVEVEBCMBMJVJM-CABCVRRESA-N 403.458 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1722737162 VUSZHOFAJSEOMZ-QGZVFWFLSA-N 410.500 1.008 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1723643077 DXDMLGOQEBLGIV-OAQYLSRUSA-N 407.478 1.200 30 10 HDEE Cc1coc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1725020173 KWLKPIUFWBZLIB-KSSFIOAISA-N 407.471 1.880 30 10 HDEE Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726411789 KLSQZULDSTVBSP-DHQBXBPASA-N 402.499 1.754 30 10 HDEE CCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1727361455 FSENYSHVKBTSCK-KSZLIROESA-N 419.526 1.938 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728947530 QDELRIMRSVGMSK-QFPXGYFVSA-N 402.499 1.933 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740572025 YZFGFSRKMKRIFP-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1740603931 KVRPWYFFLFUFCO-AWEZNQCLSA-N 404.492 1.466 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCOC1 1740633561 MCKMVLCBBFSRHI-KRWDZBQOSA-N 421.320 1.993 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(OC)CCOC1 1740660984 LPIKJSQDBSILBK-BBTUJRGHSA-N 402.495 1.271 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2snnc2C)CC1 1740704691 RDOFOZVSPHPCJU-UHFFFAOYSA-N 422.518 1.514 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1740810829 HGCPCSMFINWKQA-OBJOEFQTSA-N 403.936 1.456 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1740875604 GQFYEUVWVSHZTO-PBHICJAKSA-N 412.491 1.019 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740965781 SMYWZPKTYXPOPA-FIKGOQFSSA-N 403.527 2.000 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1741073811 HBYBKQHLJVGBBC-VQTJNVASSA-N 424.505 1.727 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCOCC1 1741127682 GQCFYZHIEDGWSY-CVEARBPZSA-N 412.494 1.990 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1741802964 MRCQZEGFQUMSHB-ZBFHGGJFSA-N 422.555 1.225 30 10 HDEE C#CCCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764805 WLLDRRJUUYGQRU-UTKZUKDTSA-N 403.527 1.824 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCN(CC)C(=O)OC(C)(C)C 1748799053 NTSJARKUDOYROD-UHFFFAOYSA-N 404.515 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC 1748867966 PHFNKUHEIOVVHH-HXUWFJFHSA-N 422.551 1.216 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1749199107 BMWZUKNJLSBTLR-UHFFFAOYSA-N 412.542 1.422 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1760138061 QLTKUSJFTLJNPV-RCCFBDPRSA-N 406.552 1.847 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccccc2C)CC1 1760252454 QLGDAFPGVHTYPK-UHFFFAOYSA-N 410.522 1.559 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCOc2ncccc2F)CC1 1760257759 IMGWAJYHOZUEBZ-UHFFFAOYSA-N 407.453 1.708 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCOC)CC1 1760401261 DOXQHWKLQGPSPR-APWZRJJASA-N 412.556 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760520115 CPWRDNWYNGKUBP-TZMCWYRMSA-N 410.400 1.798 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760521062 ITBJUCIOVXHIBZ-DOTOQJQBSA-N 418.542 1.215 30 10 HDEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1760686870 ANFIRNIOYPEVPI-MSOLQXFVSA-N 417.558 1.467 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1763201867 VLXVBJPLDFIZOJ-KRWDZBQOSA-N 414.535 1.647 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CCC(C#N)CC1 1763755971 CMXASCGVQUUKPD-HNNXBMFYSA-N 403.531 1.709 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1767772122 OOHGDLUDBMEYBM-UHFFFAOYSA-N 421.461 1.298 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)C1 1770344547 UCAKLOBTVOMOSV-HZPDHXFCSA-N 408.528 1.151 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC[C@@H]1C 1770631189 CHBLQPJNAIRDSM-NBCNXNJRSA-N 410.522 1.745 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCOC1 1771219216 JRPFOLXIRPTYPB-ZIFCJYIRSA-N 418.542 1.605 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)c1 1771530517 MSPHACCPSJHBNI-MOPGFXCFSA-N 424.505 1.714 30 10 HDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C)C1=O 1848976511 OYQDEORDOLLAJK-QAPCUYQASA-N 421.563 1.896 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 1850794140 ITRJIXLEDHBMTK-LBPRGKRZSA-N 419.409 1.579 30 10 HDEE CS(=O)(=O)[C@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1850996872 MMGNYCWXFPJUCW-KRWDZBQOSA-N 412.515 1.968 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cnoc2-c2ccccn2)CC1 1852024685 NUVPOPBVNLHAPE-UHFFFAOYSA-N 404.430 1.982 30 10 HDEE COc1cccc(CN2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852467192 LYAHLMRZTKTEHE-MJGOQNOKSA-N 422.441 1.674 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1 1853651709 LVWIBCACCQFEOS-FQEVSTJZSA-N 408.502 1.676 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2=O)c1 1853896477 VWICXJOBPJFGMI-UHFFFAOYSA-N 411.439 1.166 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1=O 1854169343 UBGJSMBMAUPNJU-IRXDYDNUSA-N 409.446 1.196 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(COC)cn2C)C1=O 1854189372 HKUBSYDOIRYALA-MSOLQXFVSA-N 416.522 1.412 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C(=O)C1 1854473145 GTHIQTHTRZKIFP-UHFFFAOYSA-N 409.773 1.497 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1854781203 CMLFJROCPIPFEM-FUHWJXTLSA-N 409.552 1.360 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)COc3ccccc3F)C(=O)C2)C1 1855007536 RFFLAEGFWKJJPV-SJORKVTESA-N 402.470 1.642 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(CC(=O)C(C)(C)C)CC3)CC2=O)CC1=O 1855802124 BDMXHCRIURSLGR-MSOLQXFVSA-N 417.550 1.723 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3noc(C4CCOCC4)n3)CC2=O)cc1C#N 1856032359 NRHVHWNADFYQPF-UHFFFAOYSA-N 409.446 1.628 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CC5(COC5)C4)C(=O)C3)C2)s1 1856291516 NZIGOYUPSZAPJB-MRXNPFEDSA-N 414.531 1.291 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@H](N(C)CCC#N)C3=O)n(C)n2)c1 1856553705 ULNKATVCKQXNED-KRWDZBQOSA-N 411.462 1.691 30 10 HDEE CN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C3(CCCCC3)C2=O)CC1=O 1856598394 SOGAFTWWUFVIBB-LJQANCHMSA-N 408.502 1.910 30 10 HDEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1nc(C)c(C(=O)OC)s1 1858705800 SEAJALUTNWTAFT-UHFFFAOYSA-N 404.404 1.832 30 10 HDEE O=C(NCCc1cnc[nH]1)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933961 SWDXYEMHZURREV-GOSISDBHSA-N 409.471 1.548 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(OC)c(OC)cc1OC 1874473327 YWDBQGQKYDNWLO-VXLYETTFSA-N 424.479 1.640 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C(C)C)cc1 1889195957 XPNJBCNBGYZVLA-PMACEKPBSA-N 403.548 1.770 30 10 HDEE Cc1nc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c2n1CCCC2 1889226898 WVUYILMPYCMUEQ-UHFFFAOYSA-N 413.566 1.400 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3C2)cs1 1889605862 UHGMDBHBJRSXEP-ZIAGYGMSSA-N 410.455 1.321 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)c(N)c1 2044241788 JKTPUASKTRDXJP-IAGOWNOFSA-N 400.460 1.876 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2172711250 IOOJZQZCIAMNIS-CYBMUJFWSA-N 418.777 1.958 30 10 HDEE CC(C)(C)OC(=O)NCC12CCC(C(=O)N[C@@H](CCS)C(=O)O)(CC1)CO2 2180567769 NHYDYQYKVPLNDQ-KAMYHZANSA-N 402.513 1.730 30 10 HDEE CCS(=O)(=O)CNC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2241161520 SHXAXIXUSPSNRC-UHFFFAOYSA-N 403.697 1.548 30 10 HDEE CC[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243387083 MXRARDYKVFNFPD-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2247844504 CPDRSFIIXYHJGI-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)Cc1ccccc1 2247919058 OZZLOUYJGNXJCB-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248058522 ZJGGMRAGEBPJJC-JOCQHMNTSA-N 418.303 1.561 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NO[C@H]3CCOC3)cc2Cl)OC1(C)C 2267702424 GSXMGLJJDBKERX-VIFPVBQESA-N 409.722 1.700 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)cc2)OC1(C)C 2267714472 KHSLYTVZHLMTHY-INIZCTEOSA-N 409.313 1.512 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](C2OCCO2)C1 2282023559 OYOYSZNUHBMUCJ-AWEZNQCLSA-N 405.304 1.427 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282312341 VGGHTCLUWVCZCZ-VWLOTQADSA-N 405.322 1.124 30 10 HDEE CN([C@@H]1COC[C@@H]1O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282317536 SMEYBKADIXEWFJ-MNOVXSKESA-N 423.749 1.081 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]3(C)CC(=O)N3)cc2Cl)OC1(C)C 2282319712 YBZATUGOZKYAKQ-OAHLLOKOSA-N 420.749 1.258 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](CO)[C@@H](F)C1 2282326325 QRXMMMOBGOPQAZ-RYUDHWBXSA-N 405.322 1.307 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@]1(=O)CC[C@H](N)C1 2282326519 UILPUNWMNMVNDJ-JPQMIFPKSA-N 420.387 1.243 30 10 HDEE C[C@@H]1CC[C@](O)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282335938 WJEJGXXCERAEDR-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCNCC1 2282342580 JGAMVGFQYGEVFC-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CN(C[C@@H]1CCCN1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282417071 FFISYQHNIMVADR-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE CN1CCC[C@@H]1CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491429 LKQOBHDNRRTTDQ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CN1 2282492776 SUEPKTIKUDAZCB-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)[C@H](N)C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493554 UWFODJBKXNUXIG-SMDDNHRTSA-N 400.375 1.699 30 10 HDEE COC[C@@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504389 ODAIOMYFSXBWSV-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](N)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282825232 IBUMOSTUGFRXHJ-VXGBXAGGSA-N 400.375 1.760 30 10 HDEE COCCN(CCF)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833594 JCTMCUDFTDOIMU-UHFFFAOYSA-N 408.326 1.190 30 10 HDEE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282834662 MEUQFINZNAYXOV-SNVBAGLBSA-N 402.709 1.181 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)c2)OC1(C)C 2282850063 KNTZFRGWBZNDIP-SNVBAGLBSA-N 415.264 1.639 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CCN 2282850606 QYVUKVUVJWKNBT-STQMWFEESA-N 400.375 1.653 30 10 HDEE C[C@H]1CNC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852517 QEGXCSOEFMJPLO-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE CO[C@@H]1C[C@@H](CF)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855475 FIHQDEFMLYBRDE-NWDGAFQWSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSC[C@H]3C(=O)O)s2)OC1(C)C 2284392962 DPHCDKVJWCKKKY-JTQLQIEISA-N 419.355 1.238 30 10 HDEE C[C@@H]1C[C@]1(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284416564 ZPKWUZFNKRVNMI-ANRSDYALSA-N 421.733 1.842 30 10 HDEE CCC1(CS(=O)(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)COC1 2287054193 KLCPANRMOCJBCJ-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CC[C@H]3N)ccc2Cl)OC1(C)C 2287581038 VWHXTJTYDGMFRQ-XHDPSFHLSA-N 400.737 1.655 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)n1 2300127182 FHBNJXVCKHTPPU-UHFFFAOYSA-N 419.331 1.765 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(O)c1 2330718019 FQWMIKOJXURXIX-UHFFFAOYSA-N 404.496 1.463 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2338487511 OUQUEIJVHREVQG-DXIQSLLYSA-N 402.491 1.593 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@H]4CN[C@H]3C4)cc2Cl)OC1(C)C 2359272701 NVHXNZIPPMZSQT-USWWRNFRSA-N 418.777 1.729 30 10 HDEE CCc1csc(C#C[C@H](N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363969833 DXYYYLLHQAXGRE-DZGCQCFKSA-N 413.565 1.809 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2367802085 XZLHNJYYDUAALM-QAPCUYQASA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367812240 QWPYIZXHCJTOLB-ARFHVFGLSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367812829 XJLAUDJWSXNCGM-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@@H]1CNC(=O)OC(C)(C)C 2367830027 FRBNBHBGVGGQGE-SPYBWZPUSA-N 400.541 1.211 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CCCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 2372079447 VNFKJSSZBCRAHA-GOSISDBHSA-N 402.513 1.564 30 10 HDEE Cc1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)cc1 22694417 RKHIAKCUVVDQOT-UHFFFAOYSA-O 400.524 1.849 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)c1 31806363 YQGUKYLRWRQTRO-MRXNPFEDSA-N 408.458 1.412 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C(=O)C1=O 35478945 FRHZEMVZBITRQO-UHFFFAOYSA-N 419.547 1.820 30 10 HDEE COc1cccc(-c2cc(C(=O)NCC#CCOc3ccccc3C(N)=O)[nH]n2)c1 90743689 XLGUKJYIAWBBAJ-UHFFFAOYSA-N 404.426 1.996 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 238870608 MURFKFAUBVTCCV-WMLDXEAASA-N 409.421 1.910 30 10 HDEE N#Cc1cccnc1N1CCN(c2ncccc2S(=O)(=O)N2CCCCC2)CC1 301194040 XYLMZKOLQCWLQE-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)c(Cl)c1 432970449 JYTROQSMWMRDPL-UHFFFAOYSA-N 404.879 1.856 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1Br 444065620 NWFGECBUJSSRHW-AWEZNQCLSA-N 402.270 1.711 30 10 HDEE CN(C)C(=O)Cn1ccc(=NC(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)[nH]1 446288791 OBGQEMLUUMJBDY-UHFFFAOYSA-N 412.841 1.170 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)Cc2c(C)nn(C)c2C)cc1S(=O)(=O)NCC#N 461029764 UHSWSSZJISSKFP-CYBMUJFWSA-N 403.508 1.508 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccccc2Cn2cncn2)cn1 461115062 DQMXXZRGYVSZAJ-UHFFFAOYSA-N 406.431 1.580 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cnc(N3CCOCC3)c(F)c2)cn1 462714850 JKVMKHVVCDXBQU-UHFFFAOYSA-N 422.424 1.831 30 10 HDEE COCCN(Cc1scnc1C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 470474552 RLGDKHSLLCLIAO-AWEZNQCLSA-N 422.532 1.665 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4nc5c(cc4C#N)CCC5)CC3)C2=O)n(C)n1 472494901 GDEXKDUNXLMAOK-FQEVSTJZSA-N 419.533 1.802 30 10 HDEE C[C@H]1[C@H](C)C[C@@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475722869 IZXYGCCGWZHWBY-KURKYZTESA-N 418.563 1.758 30 10 HDEE Cc1cc(N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)n2ncnc2n1 480310406 RIKFTVVXPOZTCL-UHFFFAOYSA-N 405.462 1.811 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482366580 ULCLSRKTHPVYAH-TZMCWYRMSA-N 403.508 1.323 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)cn1 500043452 ZJDYJPGMLFFYHY-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ccc(-n3cncn3)cc2)CC1 506787862 JYECWZLUACUQQB-UHFFFAOYSA-N 408.487 1.645 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 508472316 JRJFLPPTXZEGBB-OTWHNJEPSA-N 404.559 1.547 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)cc2C1=O 510685860 LPMHUYNGFOUKEI-UHFFFAOYSA-N 410.411 1.833 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccccc1C 527277711 AMVMEBQDKXTDHT-UHFFFAOYSA-N 407.499 1.234 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 531630409 UXWPSBONBJYRPY-UHFFFAOYSA-N 416.506 1.467 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 533242701 GDOJVKGASUFKLN-SZMVWBNQSA-N 415.494 1.309 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 533875596 BTRNLEOCTLIUHA-YJBOKZPZSA-N 408.458 1.045 30 10 HDEE Cc1nc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)o1 538900063 MAHKBBOBOCZIEE-UHFFFAOYSA-N 417.491 1.422 30 10 HDEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 543897660 RKBPRAYUPAOMMC-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H](c3ccccc3F)N3CCOCC3)CC2)n1 546170045 ZQWRZIHVYPAENT-NRFANRHFSA-N 409.465 1.814 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(C#N)c2Cl)c1=O 562418603 RPFAAOVKMOJBRF-UHFFFAOYSA-N 401.850 1.983 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)OCCOC)cc21 586315605 WHJHUFNKTOGBDC-DBDZUICISA-N 409.460 1.108 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccncc2OCC(F)(F)F)c(F)c1 586864925 RRMSMUMLAALLEA-UHFFFAOYSA-N 410.327 1.966 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(F)(F)C[C@H]3CO)CC2)cc1 614880163 BLRSAQCABFLFCB-HNNXBMFYSA-N 413.446 1.187 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669803557 BZTQQACERWEQQI-RDJZCZTQSA-N 403.508 1.658 30 10 HDEE COc1ncc(C(=O)NCC#CCNC(=O)c2cnc(OC)c(Cl)c2)cc1Cl 671793390 IOOIKODIHTYXDU-UHFFFAOYSA-N 423.256 1.964 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1F 679533795 ZBVVCAIYAWUAAM-HNNXBMFYSA-N 420.485 1.896 30 10 HDEE C#CCN(C[C@@H](O)COc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 731213501 DRFQEIBUWKNJAJ-HUUCEWRRSA-N 402.310 1.311 30 10 HDEE C#CCSCCNC(=O)NC1CCN(C(=O)c2ccc(OC)cc2OC)CC1 740468554 LFAWMLOEIZBTSF-UHFFFAOYSA-N 405.520 1.974 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CCN1C1CC1 746796893 PHVLDUKOYLWWMB-HNNXBMFYSA-N 424.436 1.890 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 748321108 GGKVPBFXNQGWRD-MRXNPFEDSA-N 419.489 1.805 30 10 HDEE CC(=O)Nc1ccc(C(C)=NOCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)cc1 749787352 LIMPJQQMOJOQEY-HXUWFJFHSA-N 404.511 1.859 30 10 HDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(OC)c(C#N)c3)ccc2O1 752007545 KVWBOCCFCIUVKI-LJQANCHMSA-N 416.455 1.912 30 10 HDEE C#CCN(CC#C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 752153924 TYWPWMOCLPFOPY-HNNXBMFYSA-N 423.332 1.945 30 10 HDEE C[C@@H](C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752612292 ABOYLCAJBUEZAT-FZKQIMNGSA-N 415.471 1.682 30 10 HDEE C[C@@H]1CN(c2ccc(CNc3cccc(S(N)(=O)=O)c3C#N)cn2)C[C@@H](C)O1 754980754 VALFGXKZEKOYBH-ZIAGYGMSSA-N 401.492 1.826 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 759953693 JNDNXUUYMNSJAD-CQSZACIVSA-N 413.455 1.419 30 10 HDEE COc1cc(C)nc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 776770264 QYZBMYAGOYLLOK-UHFFFAOYSA-N 404.496 1.176 30 10 HDEE CC(C)[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 780209098 HFEOTDZAAZJLED-OALUTQOASA-N 423.473 1.298 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)c1 784489707 XJXXBUPSWAHVJO-JQHSSLGASA-N 411.487 1.991 30 10 HDEE COCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCOC1 785699366 SYWYDSGWBYSYCM-AXNLMSORSA-N 424.523 1.769 30 10 HDEE COCCN(C)c1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC2CC2)cn1 789968816 QGSBLTSFVXCEEV-UHFFFAOYSA-N 412.523 1.768 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 790105397 YQQYLCZEVQLABH-HXUWFJFHSA-N 422.485 1.812 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1 799025466 WLVIXDZCZNUOQO-KRWDZBQOSA-N 407.879 1.730 30 10 HDEE C#C[C@H](NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCCO1 804671356 ICFDVSXEVQNKTK-RCCFBDPRSA-N 415.490 1.666 30 10 HDEE NS(=O)(=O)c1ccc(C=NNc2nc(-c3ccncc3)no2)cc1Br 807967572 CYTZYYBDPAQRHN-UHFFFAOYSA-N 423.252 1.988 30 10 HDEE CCOC(=O)c1c(CON=C(N)c2ccc(CN3CCOCC3)cc2)noc1C 809994833 GXLBBOOEWLDAQQ-UHFFFAOYSA-N 402.451 1.829 30 10 HDEE C#CCN(C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)C1CCCC1 810194356 UQGVSIHFRJRLDX-UHFFFAOYSA-N 411.462 1.589 30 10 HDEE C#C[C@H](NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 812933407 BRKKQTQIYROKBU-KRWDZBQOSA-N 418.450 1.346 30 10 HDEE Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@H]2CCN(O)C2=O)c2ccccc2)cc1 820186571 ZLVQNJGRADKHFW-SFHVURJKSA-N 417.487 1.687 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)NCCN1CCc2ccccc21 919010131 RTDHLTYOOQEBMA-UHFFFAOYSA-N 422.485 1.930 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 1127142363 XOJIPQMVLHPRGQ-ZBFHGGJFSA-N 412.494 1.999 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1=O 1129457262 HRZXMVXEYKSVFN-INIZCTEOSA-N 424.457 1.750 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)ccc1F 1129764966 PJRIJBUJDHQSAL-ZBFHGGJFSA-N 422.482 1.674 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)CC2)cc1 1135836246 HUUGRVIYPMPRJO-NRFANRHFSA-N 424.476 1.523 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3Cc4ccc(C#N)cc4C3)CC2)cc1 1143410433 VOCMKWOUDYFPQP-UHFFFAOYSA-N 424.526 1.715 30 10 HDEE C[C@](CO)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1163460849 GCIAIZUZQICOPM-HXUWFJFHSA-N 417.487 1.235 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCO[C@H]1CC1(F)F 1165684260 YQWVAOYDNQJCOE-HNNXBMFYSA-N 415.462 1.826 30 10 HDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C1CCOCC1 1167413451 FXBOGIOCBBNEDS-HNNXBMFYSA-N 412.533 1.052 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC2(CC1)C[C@@H](O)CNC2=O 1198354422 FKOWHHIBFXUASE-JKSUJKDBSA-N 416.547 1.840 30 10 HDEE CC(C)(C)N1CC[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1=O 1230375903 RKFMAYVUSUGMIA-SFHVURJKSA-N 423.521 1.957 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 1253779837 UPOIIUGUWLRTKJ-MRXNPFEDSA-N 408.296 1.955 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259106948 USSRAWZQUAUOMT-QWHCGFSZSA-N 415.899 1.860 30 10 HDEE C#Cc1cccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1275917593 VXELQHNQZUMHTH-UHFFFAOYSA-N 412.511 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1286288571 HYQOHMIIJWOAER-AWEZNQCLSA-N 407.478 1.128 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1286335300 JAQKTCYIRYZGIF-OAHLLOKOSA-N 415.498 1.914 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1286370430 LOJQJLNFNUNTNH-INIZCTEOSA-N 406.490 1.991 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC(F)F 1286372101 MUGGUECTAJRFIF-AWEZNQCLSA-N 405.405 1.957 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386303 YHBLANRCBZPWEZ-OAHLLOKOSA-N 409.556 1.191 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1286386730 GNKHIXIHVQWIJU-QFBILLFUSA-N 403.508 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1286410144 WWBYYNQUGQIHOK-QGZVFWFLSA-N 417.517 1.698 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(F)(F)CO1 1286469615 WHSMMBYCLKHZFU-MRXNPFEDSA-N 408.453 1.650 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1286835157 RUWNLORVCPBWNZ-INIZCTEOSA-N 420.583 1.815 30 10 HDEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1287042458 AGFXUSBTQUKFLD-UHFFFAOYSA-N 416.551 1.782 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1287421201 XZRREOLARLGLMD-CYBMUJFWSA-N 417.325 1.858 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nncn1C 1297297504 DSKJLYMHNSEBPY-UHFFFAOYSA-N 421.509 1.185 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C1CC1 1300441564 RTXSQWRKPMTQFW-OAHLLOKOSA-N 401.536 1.901 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)CN1CCOCC1 1300474998 AWOGPCMUQGWRAR-SFHVURJKSA-N 413.522 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300495674 JHBSAQJRFAEPDC-SJORKVTESA-N 410.540 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@H]1OC 1300557415 SUAAYJQSEUYQGO-YESZJQIVSA-N 407.540 1.166 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nccs2)C1 1300733616 YDJLAAQRTSYBQX-CQSZACIVSA-N 420.564 1.817 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1300761218 JHVSAVRAGYHXEJ-OAHLLOKOSA-N 412.581 1.552 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1301292361 VXIVYGQZWHHGNG-LLVKDONJSA-N 405.314 1.803 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1302220825 WXDQHDOZHWDDSO-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1302495657 RYAFCUWXMLSAGP-IRXDYDNUSA-N 400.508 1.745 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1302978042 GFECPNRCXQZPSH-XHDPSFHLSA-N 404.368 1.640 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892613 JTGJHHJECWFAJW-UHFFFAOYSA-N 405.414 2.000 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1312632719 PRWJHLFWCLZYLH-QWQRMKEZSA-N 414.528 1.212 30 10 HDEE COc1ccc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccco2)cc1 1312878821 IOLPIRVJTXGVQF-QSFXBCCZSA-N 415.471 1.957 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1 1314517688 ROTJWUULFUUSTK-XJKSGUPXSA-N 407.496 1.902 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCOc2ncccc2Cl)CCO1 1316537117 ALQGZELGTYARCT-CYBMUJFWSA-N 412.841 1.591 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1C 1352682312 PLGQGWUPIARFAD-UHFFFAOYSA-N 405.520 1.847 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1358957495 VGIARTTYVJLJIS-HXUWFJFHSA-N 424.530 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1358979828 YWWVJMSNXDKMDR-UHFFFAOYSA-N 413.547 1.896 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1359010656 VVRADCIWXBUQIR-GOSISDBHSA-N 407.584 1.762 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1359011930 RCYPJIZCAUAHCD-UHFFFAOYSA-N 408.549 1.330 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)c1ccco1 1359027048 UDHPHLMKPYNXKB-OAQYLSRUSA-N 412.494 1.726 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(O)CCCC2)CC1 1359030445 WFWLWFARMCOTTK-JOCHJYFZSA-N 417.554 1.379 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C)n(C)c2=O)CC1 1359033461 CMWFYDMPMCYIGC-UHFFFAOYSA-N 405.506 1.094 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359131444 UESRTOKWOLCQBW-OXJNMPFZSA-N 402.499 1.656 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359133059 KUEPMUHUVOAFMG-INIZCTEOSA-N 417.489 1.630 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359133782 ZCURBBJTFAVLQB-OTWHNJEPSA-N 407.559 1.920 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CCCO)CC1 1359181149 HEXFJUOMENXNCM-LJQANCHMSA-N 416.570 1.650 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1360784415 FFQMMDFNLXTPPA-KKSFZXQISA-N 415.542 1.470 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1361016144 WQYZIQRLRGHGSC-SPLOXXLWSA-N 421.461 1.637 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccncc1)Cc1cccnc1)c1cc[nH]n1 1443649503 IVVQSWHINWBXCE-UHFFFAOYSA-N 422.445 1.713 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)cnc2Br)CC1 1445694714 VTOSWBAFGKZVPQ-UHFFFAOYSA-N 416.073 1.805 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)cc1B1OC(C)(C)C(C)(C)O1 1446967269 BXVPLFCQHOGCBJ-SJLPKXTDSA-N 416.327 1.660 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccn(CC(F)(F)F)c3=O)C2=O)cc1 1448838279 FYSXAMBGPAAPNT-MRXNPFEDSA-N 418.375 1.813 30 10 HDEE CC(C)(C)c1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)CCn1cc(C#N)c(O)nc1=O 1453740793 WQNRDWRTWAPQKE-CZUORRHYSA-N 408.462 1.587 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)c1 1455655527 MIBGOVDZHDFCNT-LFDOHDQPSA-N 422.503 1.382 30 10 HDEE C#CCN(CC(=O)NCc1c(OC)cc(OC)cc1OC)CC(=O)OC(C)(C)C 1460356517 QRJCQNUWYAUGIH-UHFFFAOYSA-N 406.479 1.606 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)cc1 1462505823 XRHFRLCYDZDGBZ-UHFFFAOYSA-N 414.487 1.437 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)cc1 1464341757 OBKUTANEHGXWDA-GWBJCQBPSA-N 422.551 1.673 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1464940411 STRWELIFAWWCEI-AZUAARDMSA-N 400.523 1.444 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)cc1 1465259164 NXYLPUGPLDZTPH-OAHLLOKOSA-N 424.523 1.062 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c1cc[nH]n1 1469519307 KLDRXLKLOKTWSX-CYBMUJFWSA-N 410.471 1.424 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 1470354183 SNHYXMIDMVQDFF-LJQANCHMSA-N 420.941 1.836 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CC1 1470618759 XPMFFPQARAVIAU-UHFFFAOYSA-N 414.506 1.519 30 10 HDEE C#CCN(C(=O)CN(C)CC(=O)NC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1471882345 KWRBPJRMKIDWOQ-UHFFFAOYSA-N 408.543 1.304 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNc1ncc(Br)cc1C#N 1472873623 LIXAVUMZLOHVER-UHFFFAOYSA-N 416.279 1.902 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC 1475685340 CAIUBDWIWRXGMN-NSHDSACASA-N 400.409 1.542 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)[C@H]1COCC12OCCO2 1478796615 BSFJEIKUBQLTQV-QGZVFWFLSA-N 415.494 1.201 30 10 HDEE C=C(C)C(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cnn(C)c1 1489913082 BYPBXOYDHGZNPV-PHUPPTAPSA-N 412.534 1.856 30 10 HDEE CCc1ccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1497978431 DYOGJFJDLUUIKD-XUTLUUPISA-N 422.489 1.871 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1503861685 ADTMUVLCBOATFO-OXQOHEQNSA-N 413.503 1.684 30 10 HDEE COC[C@H](Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)OC 1504593117 GNNOLXIARNDDAF-KRWDZBQOSA-N 413.526 1.830 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C[C@H]1OC 1505123276 AYAICEUGDPLCHE-KRQILSMLSA-N 415.519 1.578 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507629668 OGGNTIODEUGBRE-KRWDZBQOSA-N 415.519 1.098 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc2cccnc12 1507713150 YVQNNUQPAHRQTD-SFHVURJKSA-N 404.474 1.912 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOCC(C)C)CC1 1507728336 XVRJYWWANHGPTJ-UHFFFAOYSA-N 402.543 1.218 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507742792 QDPSHRUWDQPPRC-IBGZPJMESA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507754761 PKXBMJNSEDTRMZ-INIZCTEOSA-N 412.519 1.331 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1507983098 OWWUXQSGLNZEJH-QGZVFWFLSA-N 405.524 1.590 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1508074971 UQVRZAHBKIZNNV-HXUWFJFHSA-N 414.441 1.706 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cnnn2)C1 1508111962 KWOANGKNOVIUGD-MRXNPFEDSA-N 410.482 1.812 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCCCO 1512365619 IMKRJVMCHMTDKB-INIZCTEOSA-N 410.526 1.770 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Br)n1 1516615290 YDCWWMDATWYAHD-ZDUSSCGKSA-N 407.272 1.749 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1516961631 CEBIJVFVGANAEY-NRFANRHFSA-N 407.478 1.154 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccn(C)n1 1517305234 LGMVFRBQTJZBJG-UHFFFAOYSA-N 413.507 1.469 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 1526046311 NIXUIDRWXLBCMX-UHFFFAOYSA-N 406.442 1.137 30 10 HDEE CS(=O)(=O)c1ccc(/C=C/C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)o1 1529708440 SZSNKKUIGNRGFZ-ZZXKWVIFSA-N 400.460 1.748 30 10 HDEE O=C1C=COC2(CCN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)CC2)C1 1538588199 AIEKMWUJLYSZKV-ZDUSSCGKSA-N 410.517 1.452 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538993454 LFCDRNSIBCNDIR-IRXDYDNUSA-N 401.536 1.993 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CC(F)(F)F 1539175491 ZNAYYZPNPFFNCB-UHFFFAOYSA-N 412.416 1.959 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539221069 NHXDRBQMDVBNLF-QGZVFWFLSA-N 421.567 1.431 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](F)COC 1539266162 MRRLQHFNZKEUJU-SFHVURJKSA-N 411.485 1.509 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1539517238 KMBHTMBVDPGEPX-INIZCTEOSA-N 401.540 1.209 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539744253 GVXLGJCNMZAFRJ-ILXRZTDVSA-N 413.544 1.080 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1539804093 QVZAKYWXNJKQKQ-CQSZACIVSA-N 401.920 1.520 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540029497 SMLFCQDKHUESRQ-HNNXBMFYSA-N 423.539 1.909 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1540058873 HXJYZIWWJXIWEV-UHFFFAOYSA-N 407.496 1.624 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540917312 SDHUDGIHONQJIW-HNNXBMFYSA-N 417.539 1.288 30 10 HDEE C[C@H](C#N)CN(C)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1542216688 ABLABGGGLHDPJX-JLTOFOAXSA-N 411.499 1.952 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1545760660 GZAOOCJIALMCHH-KNKQGSTJSA-N 410.522 1.615 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(OC)CCOC1 1545860814 GKAVDMXFLVQQKJ-FQEVSTJZSA-N 404.515 1.742 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1546576952 DLRJVHVMSSRLPE-KSZLIROESA-N 410.478 1.071 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCCCC1 1548175102 MFILSIPQDIGBCP-UHFFFAOYSA-N 424.553 1.894 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](CO)C2)nn1C 1548402883 XVPSLTZHVWWHON-OAHLLOKOSA-N 407.396 1.942 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1554375703 BJFUYXBPLAETOI-UHFFFAOYSA-N 422.537 1.596 30 10 HDEE COc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1F 1554905865 GRKMOZKBPWULLY-MRXNPFEDSA-N 411.441 1.798 30 10 HDEE C[C@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)NC(=O)C1CCCC1 1559032856 LTUPRIZPNWOPDL-CQSZACIVSA-N 401.463 1.976 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCc3c(cccc3S(N)(=O)=O)C2)c1 1560094065 KPECNZXFYAEMIZ-UHFFFAOYSA-N 405.501 1.038 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)CC23CCC3)CC1 1560124730 DDYRCUIOVWPKJU-LJQANCHMSA-N 413.497 1.279 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)C(=O)OC 1561512250 SBDKAPLANQIWFF-AWEZNQCLSA-N 416.883 1.637 30 10 HDEE COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)CNc1ccc(C#N)cn1 1566407501 PRKNCJSJLYODHU-UHFFFAOYSA-N 403.464 1.466 30 10 HDEE C=CCOCC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1570326967 YMXOYYAEJJAIRY-IRXDYDNUSA-N 422.526 1.583 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)N(CCC)C(=O)OC(C)(C)C)CC1 1584999875 CMXFGCCDIYAPKA-KRWDZBQOSA-N 408.543 1.306 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCc1ncc2c(n1)CCOC2 1585516026 OBJZYTWJPJTKCK-UHFFFAOYSA-N 403.236 1.879 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 1585593610 KWACONUIWNVYMG-QGZVFWFLSA-N 400.475 1.847 30 10 HDEE N#C[C@]12CN(C(=O)CCc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1585660515 NIPVMIKCYPQUGZ-XJKSGUPXSA-N 402.394 1.915 30 10 HDEE C#C[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1586729623 DKSZWNYZTCSNDU-ZBEGNZNMSA-N 419.275 1.978 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1587657907 XDFKFAQGMZTTOE-RYQLBKOJSA-N 405.568 1.893 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587745852 AFXPYQNHSKHDNI-UHFFFAOYSA-N 423.521 1.317 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035517 USHKDUPBWLKHSA-OALUTQOASA-N 402.520 1.991 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCC(=O)NC 1588094273 XHZCQFNVZWVRBF-UHFFFAOYSA-N 400.280 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588166686 NCFFYBXBCNEARZ-ZWKOTPCHSA-N 419.551 1.092 30 10 HDEE N#Cc1ccc(CC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cn1 1596260202 YNZCOWNJYUDUND-LJQANCHMSA-N 408.458 1.486 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1596783607 OSBTWFCHARSFLZ-ZDUSSCGKSA-N 400.460 1.248 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCN(C)C 1596831389 MUNAWUBNMUPRSK-QFBILLFUSA-N 414.510 1.965 30 10 HDEE CN(CCCC(=O)NCC#C[C@@H]1CCCCO1)C1=NS(=O)(=O)c2ccccc21 1606801176 FEEVESVDTCQYPN-INIZCTEOSA-N 403.504 1.536 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1608580036 VRFWCEJEQCGEHW-SJORKVTESA-N 415.542 1.408 30 10 HDEE Cn1cc(C(=O)NCc2nc(C#N)cs2)c(CN2C(=O)c3ccccc3C2=O)n1 1611469786 ISRAWUDTPWKUST-UHFFFAOYSA-N 406.427 1.474 30 10 HDEE CC[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613345623 OSMSRJFUKDNSOP-OHTQGHCMSA-N 402.499 1.933 30 10 HDEE CCN1CCN(C[C@H](C)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1615911430 CXHPKFRNCUEGDP-OAHLLOKOSA-N 410.515 1.126 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616328495 JRWZUOGXDMVNAS-HNAYVOBHSA-N 403.460 1.123 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)NCC#CCO)ccc2C)cc1 1617901918 UTWBZDUUERTAHE-UHFFFAOYSA-N 402.472 1.920 30 10 HDEE CO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1618955506 HGIMDUALZPIQHG-STQMWFEESA-N 416.404 1.210 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1620305784 YCZYWIVFOXGZST-KDTXOIQASA-N 411.441 1.661 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1 1622551286 JEGFGBIIGQJWDN-CYBMUJFWSA-N 412.313 1.176 30 10 HDEE C=C(CC)C(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 1623721391 OBGQPXNTOWHPTB-UHFFFAOYSA-N 413.883 1.470 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)ccc1F 1624219480 ODNOMYVDVINFOQ-ZDUSSCGKSA-N 421.376 1.415 30 10 HDEE C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1626318954 ZGCPVKXJWDMJEA-CQSZACIVSA-N 409.483 1.448 30 10 HDEE NC(=O)C1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1626628091 VEZQSKXLYHOWIR-VZCXRCSSSA-N 411.462 1.243 30 10 HDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1633239341 KYLGBTAKSQGANU-CECJQHFESA-N 403.410 1.333 30 10 HDEE N#Cc1csc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 1633764493 VGZQIEMROVDHAI-IRXDYDNUSA-N 410.503 1.413 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)c1 1635024122 YQJKHHVISPXJGL-QGZVFWFLSA-N 419.890 1.598 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cccc(C#N)c1Br 1637463753 PGTGNMRPMMJTOI-ZDUSSCGKSA-N 410.268 1.754 30 10 HDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1638008792 PDTUGIRKUSQFGX-IBGZPJMESA-N 415.471 1.631 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 1638583813 YIKOOUOZGKJHCM-UHFFFAOYSA-N 401.529 1.177 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)nc1 1638906328 PPRKXUORKNEHSC-QGZVFWFLSA-N 405.524 1.562 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(O)CCCCc1ccccc1 1639058712 RKTIDAGPDFQOMI-OAHLLOKOSA-N 419.503 1.693 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc2c(N)ncnc21 1641663719 FNTHPRUBTKFVTO-CYBMUJFWSA-N 403.487 1.774 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1643490158 ALYQXUXXZVFSSF-OAHLLOKOSA-N 418.519 1.581 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCOc1ccccc1C#N 1643564510 AROHBIQXTZLLPA-UHFFFAOYSA-N 404.448 1.756 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 1643854627 JOSRRFCEJLAYNN-UHFFFAOYSA-N 409.508 1.568 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@](O)(C(=O)OC)C2)cc1OC 1650951386 BQNTZGDHIDLQAR-FQEVSTJZSA-N 408.451 1.361 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1650977886 MMJBRXSEPOUCMU-OALUTQOASA-N 422.570 1.206 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1ccc(F)cc1 1652034178 MPNVKSUIUHHPNC-GUYCJALGSA-N 405.451 1.084 30 10 HDEE C/C(=C/c1ccc(Br)o1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653760493 WXQSURDSGFUJKI-WTKPLQERSA-N 405.208 1.663 30 10 HDEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)C[C@H](O)c3cccc(C#N)c3)n21 1654148597 FOWGCMZMXLKELP-IBGZPJMESA-N 402.458 1.927 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@H](O)c1cccc(C#N)c1 1654148606 FTMVWYKSSVYQJV-PMACEKPBSA-N 423.542 1.994 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(CO)(CO)C1)CCCC2 1654229460 NJRJSRNTCMOIHD-UHFFFAOYSA-N 408.502 1.843 30 10 HDEE CCc1nnc(N(C)CCOc2ccc(S(N)(=O)=O)cc2F)c(C#N)c1CC 1655561826 HYENKWNBNKGFHX-UHFFFAOYSA-N 407.471 1.775 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2)C(=O)OC 1663038254 XGUJQGMLDSCGCK-CQSZACIVSA-N 416.883 1.272 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)OCC 1663611233 NKLIEDFYCIEFNZ-GFCCVEGCSA-N 420.278 1.873 30 10 HDEE C#CC1(F)CN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1665008501 QGRSNGUYVBGUDF-UHFFFAOYSA-N 401.847 1.550 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1667559156 YVDJRTPFUJUQNY-HXUWFJFHSA-N 405.426 1.319 30 10 HDEE C#C[C@@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1ccc(Br)cc1 1675452309 PCWGFTOOBXOVEQ-MRXNPFEDSA-N 407.312 1.587 30 10 HDEE N#Cc1cccc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 1678737648 BHWQYDWSALFNFG-INIZCTEOSA-N 408.466 1.370 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)CC1 1684632930 IXAAPHBGHWNDMO-LJQANCHMSA-N 414.506 1.684 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)Nc2ccccc2OC)C1 1685846204 UECGHYNUIQQZOR-HNNXBMFYSA-N 409.508 1.656 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1689851367 PIWRKDDFXKZLTK-KBPBESRZSA-N 421.489 1.522 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689934045 HSDHTKZBGCALOR-INIZCTEOSA-N 412.519 1.817 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1689942878 GFXJHDPXZCDYKA-IRXDYDNUSA-N 402.543 1.471 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689982241 JYYPKHSDLGBJHJ-XLIONFOSSA-N 422.551 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1 1690024270 YRWTVCIYDUAMQR-SFHVURJKSA-N 411.531 1.498 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1690071044 MOLGTZCHRHUMLA-MRXNPFEDSA-N 407.469 1.494 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1690074310 XYTLTVVHOVMRQZ-HNNXBMFYSA-N 407.478 1.632 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1690341837 VADUSAWZIYTPGF-LSDHHAIUSA-N 419.917 1.855 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1690515486 NQSALPNXBLWYMU-INIZCTEOSA-N 418.567 1.963 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1691496508 BQAJBCLIBMNWMR-UHFFFAOYSA-N 407.482 1.202 30 10 HDEE C=CCOCCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1692310105 OAYNMIFYSXGNPO-NALHQMNBSA-N 404.551 1.942 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1692571322 ASDYPVFZNMLXSS-GOSISDBHSA-N 406.487 1.715 30 10 HDEE CCn1cnnc1Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1695800821 IXFAAKWKQJBTIA-FQEVSTJZSA-N 414.514 1.718 30 10 HDEE COCc1nocc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1697837091 OQFHNPLIQKFYEV-UHFFFAOYSA-N 410.434 1.748 30 10 HDEE CS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1698320297 BGWLMOYFMSSGQD-UHFFFAOYSA-N 406.487 1.297 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)Oc2ccccc2)CC1 1705631781 PUYJMJZQWJLEFK-LJQANCHMSA-N 422.533 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)OC)CC1 1705645896 IMOSVTTWTULNSS-CQSZACIVSA-N 416.913 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCCC1 1705668522 NZDZDBRHJHFWET-QFBILLFUSA-N 408.572 1.366 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1705674881 TYAIQXZJYFAYQL-FXAWDEMLSA-N 421.567 1.793 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1705826819 KHMPSEHNWBRZJQ-SFHVURJKSA-N 404.559 1.702 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1705843766 NJYRRHFEVMCSER-IRXDYDNUSA-N 411.572 1.159 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705845802 HAOYXEBLJYWMFN-UHFFFAOYSA-N 419.489 1.150 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CC2)C1 1705925020 JPRGEEHLJUVVFD-SJORKVTESA-N 424.567 1.778 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1705940240 YTBJBHZHYSDZAY-UHFFFAOYSA-N 418.571 1.844 30 10 HDEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709848582 DSHUKUISOIZZBH-OAHLLOKOSA-N 423.525 1.134 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1711445418 CLYRLMCVFKJOAL-UHFFFAOYSA-N 413.478 1.605 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)cc1 1711774431 FOQJNQUIVAWRQB-PXNSSMCTSA-N 424.505 1.941 30 10 HDEE CON(C)c1nnc(CCCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1712664046 ULSONIGLSKAQOV-VXPUYCOJSA-N 410.478 1.977 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722330044 PJGWFQDZJQOYIA-UHFFFAOYSA-N 405.506 1.488 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1722346567 YOVHDBJPERWETR-CVEARBPZSA-N 409.556 1.840 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1722365446 DQALYFIJGHNKLT-SJORKVTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCC(=O)N1CCOCC1 1722385930 RATNAIZYCFWEMC-UHFFFAOYSA-N 405.502 1.385 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N2CCCCC2)CC1 1722438513 UJJOYYMQHCHAIN-UHFFFAOYSA-N 421.549 1.806 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722680632 UBZHGUZVFNZRHQ-LAUBAEHRSA-N 419.526 1.377 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1722698587 IEJPQIPIZUOQHH-LSDHHAIUSA-N 409.556 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1722722552 PADDJVHNUQQLNS-QGZVFWFLSA-N 424.498 1.822 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOCC1CC1 1723946647 YUCFKQQLQKEJGK-HNAYVOBHSA-N 424.571 1.835 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN1CC 1729070173 JMUCCDSRAFQNPN-LJQANCHMSA-N 424.553 1.892 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCOCC1 1730763099 CFJPHPSLGRARGW-UHFFFAOYSA-N 417.514 1.048 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCO[C@@H]2CCOC2)C1 1731184001 XRJQIJCFTATICS-YLJYHZDGSA-N 400.458 1.901 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1740600665 MWXPONLIXVXJFL-QGZVFWFLSA-N 414.510 1.351 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCCOC)CC1 1740691537 HNVBPMSNYJRGJY-UHFFFAOYSA-N 421.549 1.540 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCOC2)CC1 1740706336 SEFFTVFKYGMSJY-PKOBYXMFSA-N 415.538 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2)CC1 1740708451 PZHXXGAMZFOUKR-UHFFFAOYSA-N 420.517 1.415 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740850745 KBWRAVZWPOBKII-QLFBSQMISA-N 424.523 1.897 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740880361 GIEPYRPUGZJXQB-CSODHUTKSA-N 421.542 1.782 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1ccccc1 1740958587 REZDTJQSXOMUSR-MSOLQXFVSA-N 408.506 1.743 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCCC2=O)C1 1740969773 AZLCORDPLRRAEV-KRWDZBQOSA-N 418.542 1.600 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1741004878 OVMGJWKAXRXYFU-KXBFYZLASA-N 409.556 1.516 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1746236853 WIMXCRBXRDVMEP-UHFFFAOYSA-N 408.466 1.787 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1748747012 APXJNNYYRPNKLS-DLBZAZTESA-N 413.526 1.225 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1748812344 SVGCEDAJGSEQMG-HNNXBMFYSA-N 422.470 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1748956496 FEPIOPDYONQJCU-KKSFZXQISA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(OC)nc2)CC1 1748986733 ISFDSCJKNMMZNJ-UHFFFAOYSA-N 403.490 1.856 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749028936 IGJHICATTVSALE-QGZVFWFLSA-N 415.544 1.806 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1749465690 WCAZGRMHLKNOAM-IFXJQAMLSA-N 405.524 1.345 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccn(C)n2)C1 1749697159 IATOYLZDNXHTLS-FXAWDEMLSA-N 402.499 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCCO1 1749729992 WIHHNXFLXXGDEP-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1749942472 OPVJBZFPFACTMQ-IAGOWNOFSA-N 406.531 1.463 30 10 HDEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCOCCS(C)(=O)=O 1751658277 DKHYHAOTPLHJER-HNNXBMFYSA-N 405.524 1.911 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOCC(F)F 1751930405 OVLPZYDJNVFBFJ-CYBMUJFWSA-N 406.441 1.635 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760136581 AJWZBXFRIMVYAT-AEFFLSMTSA-N 416.551 1.160 30 10 HDEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760137468 RYJSLZRXJNLDFI-UHFFFAOYSA-N 414.554 1.330 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)[C@@H](C)CCC 1760172142 VAIHSWQNXYVMLW-AWEZNQCLSA-N 400.483 1.628 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760182888 MYUAVTRYTWEUGL-INIZCTEOSA-N 421.567 1.623 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760279956 GGEXLPFBDMXJDC-RYUDHWBXSA-N 403.430 1.363 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1 1760296992 CIPQDYBHJLQWCZ-RTWAWAEBSA-N 416.595 1.830 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1760297334 OZAYRKGMNWIFKR-XMSQKQJNSA-N 412.538 1.651 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760346268 QCZMMTQHWBJYOL-QFBILLFUSA-N 409.556 1.057 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1760498559 VWOAHDSJBDJKHR-MRXNPFEDSA-N 412.494 1.621 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC)C1 1760522168 MWDUVHNIJLKDDG-MAUKXSAKSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1760528057 QVKPVCAUSFFUIW-CQSZACIVSA-N 419.486 1.201 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCCn1cc(CO)nn1 1760697529 RMAYRQDXWQDTRT-AWEZNQCLSA-N 400.512 1.700 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1765169499 QZTDJSDFBWGBIS-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNC(C)=O)CCOC1 1765872807 ROZDJYIRXNYBJG-HXUWFJFHSA-N 404.515 1.586 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1766244833 CWJIQPSLAVMGPN-AWEZNQCLSA-N 418.523 1.212 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767102820 ARFIRDXFBDYYOI-QUCCMNQESA-N 424.553 1.019 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCO1 1768942826 FXTPSFRYIBTFGK-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1769565083 VWHFDTQBWATFBO-QAPCUYQASA-N 406.512 1.150 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCn2ccnc2C1 1769845107 HIEXVZYWCSHCRX-MSOLQXFVSA-N 413.526 1.998 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1770027952 HCDVYRKEJWJGSW-ZDUSSCGKSA-N 422.445 1.787 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)F)CC1 1770740391 FXLFWVDBSSECPQ-CYBMUJFWSA-N 420.399 1.385 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 1772791587 BEHCUVXGYBXGCP-UHFFFAOYSA-N 421.475 1.184 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N2CC3(COC3)C2)cc1 1851579081 CBAGFNQDJCQQOP-IBGZPJMESA-N 411.483 1.307 30 10 HDEE N#Cc1cccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1852626055 AHHUVHRGMJMTHB-UHFFFAOYSA-N 417.462 1.861 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1)CC2 1852735572 RTQORSKILYXNKO-KRWDZBQOSA-N 400.442 1.780 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1F 1853117902 IVXDELCLGVWJRP-UHFFFAOYSA-N 406.417 1.751 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc4c(c3)OCC(=O)N4)CC2)nc1 1853219427 XZLCCLMGIFGLRW-UHFFFAOYSA-N 407.430 1.263 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)c1 1853398765 NIOXKFJASBEADR-CYBMUJFWSA-N 404.430 1.590 30 10 HDEE CN(C)C(=O)C1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1854051675 ZYNDFBPFBIBQHY-GOSISDBHSA-N 416.909 1.947 30 10 HDEE CON(C)C(=O)C1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1854429723 WVDFUHAOSJVBHP-LJQANCHMSA-N 412.490 1.350 30 10 HDEE COc1cc(C)ccc1O[C@@H](C)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855010375 OPWCPTZVKGTZLS-ZWKOTPCHSA-N 414.506 1.430 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)CC1=O 1855010888 UKASRICYGOLXBZ-HKUYNNGSSA-N 400.523 1.233 30 10 HDEE Cc1ncn(CC(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)c(=O)c1C 1855026790 NSFNIKPQABQINC-HNNXBMFYSA-N 411.437 1.130 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C1 1855312280 PASIWKKZCXNUEZ-SJORKVTESA-N 409.490 1.792 30 10 HDEE CC(=O)N1CCC[C@H]1CN1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C1(C)C 1856049489 IEIUEDQSGCGXJE-FQEVSTJZSA-N 410.518 1.951 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CCN1[C@H](C)CCC#N 1856288820 FVMIDTUAZGTARO-SJORKVTESA-N 407.474 1.662 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCOC3)C(=O)C23CCCC3)cc1 1856299607 URXMYOYMRVTXCJ-MRXNPFEDSA-N 417.487 1.267 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN([C@@H]3CCN(C)C3=O)c3ccccc32)CC1=O 1856420645 AUXRUKGMUXKCIG-MAUKXSAKSA-N 410.474 1.022 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4cc(F)ccc4C3)CCC2=O)CC1=O 1856539684 DORNJQJDRIABGF-APWZRJJASA-N 413.493 1.984 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc4c(s3)CCC4)[C@H](C)C2=O)CC1=O 1856560415 ULWFNUASPUDFLS-KGLIPLIRSA-N 402.520 1.226 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1856797259 MXUDMSWIWZVTMC-CRAIPNDOSA-N 411.568 1.605 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857086847 DOTXSZAPJPUJOQ-AWEZNQCLSA-N 415.446 1.900 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2)cc1 1858969783 GGGANMZECGJLPA-UHFFFAOYSA-N 417.487 1.598 30 10 HDEE COc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1S(C)(=O)=O 1866890777 QKEIMLNHTFMZNX-GFCCVEGCSA-N 401.444 1.727 30 10 HDEE Cc1nnc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)c2ccccc2)o1 1867037099 WLHMSQQEHHKTNL-OALUTQOASA-N 419.441 1.888 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](CC)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868629417 VFOUYPHMTCLUTR-KRWDZBQOSA-N 407.536 1.954 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccccn1 1874436273 TVVVEBKCSNPYHB-WYMPLXKRSA-N 423.502 1.600 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1896906607 XYVOJLISTAPKRQ-XGUBFFRZSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 2118171598 RPLQJXGUACVQPZ-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H](C#N)C1CCCCC1 2181055348 HMWDMBUSUOHYCI-HUUCEWRRSA-N 401.529 1.903 30 10 HDEE CC(C)[S@@](=O)(=NS(=O)(=O)N1CC(C#N)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183209705 NJRJDKQMEFYISL-PTFIGZPYSA-N 420.557 1.572 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2247838750 MYJDUHKNCGJHLU-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)cc2F)OC1(C)C 2247893763 XTQJAXTUFQBQMP-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2247929252 FKODJEORKUHLIQ-MRXNPFEDSA-N 422.331 1.842 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2267374679 VIDCCRZNMJJMJD-CQSZACIVSA-N 409.313 1.369 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)[C@@H]2C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282318571 HSLLEVPTSDGXGT-WCQYABFASA-N 401.359 1.747 30 10 HDEE C[C@H]1CN[C@H](C)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282417116 FVIKRSICOAEDJQ-OLZOCXBDSA-N 400.375 1.559 30 10 HDEE CN([C@H]1C[C@H](O)C1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282502643 ODFHHSUBBPUBIE-HAQNSBGRSA-N 401.721 1.783 30 10 HDEE C[C@@H]1[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1(F)F 2282508994 DQZBJURPELUMMD-NXEZZACHSA-N 408.301 1.763 30 10 HDEE CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837633 FTZOUEUHTGXYIZ-STQMWFEESA-N 402.347 1.381 30 10 HDEE CCOC(=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848111 JFYNZMDIAUOETL-UHFFFAOYSA-N 403.331 1.669 30 10 HDEE C[C@@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858721 BKPZLLFZMKQEOX-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882760 QEUCWASIYMJSAU-AWEZNQCLSA-N 400.375 1.666 30 10 HDEE CN(C1(C(=O)O)CCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284396921 ZPDZLFSTYQWKTR-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE C=C[C@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399563 LWWQAGWVXLPZAU-NSHDSACASA-N 401.315 1.582 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@](C)(C(=O)O)C2)OC1(C)C 2284407599 NANQWQDJSOIEQN-MRXNPFEDSA-N 401.315 1.533 30 10 HDEE COC[C@@]1(C)C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284685530 SBUAHVNPEUPGNZ-SJKOYZFVSA-N 401.359 1.998 30 10 HDEE C[C@H](C#CC(=O)Nc1nc2ccc(Br)nn2n1)NC(=O)OC(C)(C)C 2318625635 JVKGWJDXRSOWDE-SECBINFHSA-N 409.244 1.742 30 10 HDEE Cn1cc(I)c([C@@H](C#Cc2nccs2)OCCCN)n1 2363529646 VXSNHHFIOYWHFS-LLVKDONJSA-N 402.261 1.939 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CN(CCOC)C(=O)OC(C)(C)C 2367794351 HGVLUSBWSTWYJC-INIZCTEOSA-N 402.557 1.819 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)[C@H](CC)NC(=O)OC(C)(C)C 2375229036 SNEMAAQVJWPUMW-QWQRMKEZSA-N 402.513 1.255 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 7936212 KUEBTBNJDJULKE-CHWSQXEVSA-N 405.432 1.099 30 10 HDEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1cc(F)ccc1F 22694510 RWIZHDGEWYLVJS-UHFFFAOYSA-O 422.477 1.819 30 10 HDEE CS(=O)(=O)OC[C@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1 146598308 UXVMPWDAUDUEFA-SNVBAGLBSA-N 420.365 1.698 30 10 HDEE C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)C(=O)O)[C@H]1C/C=C1/C(=O)OC[C@@H]1O 253532223 LBWGMBCRIXRVEF-SHAVYVCFSA-N 422.474 1.598 30 10 HDEE biogenic CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)CS(C)(=O)=O)OC1(C)C 404923526 IWRMNBRKRHCZKM-UHFFFAOYSA-N 409.722 1.383 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 436246116 PESCETROPJXYEO-MOPGFXCFSA-N 417.531 1.770 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)C1=O 439404946 ANYWVGNQJKRBFT-GOSISDBHSA-N 400.479 1.718 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@H]4CCCC[C@@H]43)cc2C1=O 440700391 ZZROJRYLDPDYMB-IRXDYDNUSA-N 402.472 1.650 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 460553151 PXPBDUKHMLKFDT-HNNXBMFYSA-N 421.505 1.825 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 460932443 ODHDOSLNKLLWTC-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463083549 GWYVERSPMRCDJC-YLJYHZDGSA-N 407.470 1.912 30 10 HDEE Cn1nc2c(c1CNC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCCC2 463387245 ABFWFXGJHAQCEJ-IBGZPJMESA-N 406.490 1.771 30 10 HDEE N#CCCn1ccc(NC(=O)c2n[nH]c3ccc(I)cc23)n1 463693230 MPPYVNQKZVQDBI-UHFFFAOYSA-N 406.187 2.530 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2cccs2)C1 483087833 JXQDYDAPNGMSLU-CZUORRHYSA-N 405.501 1.887 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](COc3ccccc3)C2)CC1 484556655 KZNQUMJBUCOGRX-NHCUHLMSSA-N 400.523 1.459 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cscc4C#N)CC3)C2=O)n(C)n1 498732159 YQSGDTIPLPEAAK-KRWDZBQOSA-N 412.519 1.615 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CC(=O)NCC(F)(F)F)cc1 502079063 HODGGJIAGWHBMO-LBPRGKRZSA-N 400.382 1.467 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2=O)cc1 504196235 UAQRMVUJCQZVPF-IBGZPJMESA-N 401.426 1.580 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)NC1CC1 505153384 TZLVPTSNMJDSCZ-UHFFFAOYSA-N 420.491 1.227 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)CN(CC)CC)CC3)cc2C1=O 505410886 UQGUWCDWPQCSRM-UHFFFAOYSA-N 412.490 1.095 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 508729853 KTBXEBVFQHQMFC-AEFFLSMTSA-N 418.519 1.650 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513108150 KQVYUAGGSCADFE-UHFFFAOYSA-N 411.441 1.335 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)COc2ccc(C(N)=O)cc2)cc1 523348618 AKHAPWXCDSLTRY-KRWDZBQOSA-N 410.455 1.576 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCN(C3CC3)CC2)CC1 555192453 PXZZKVXSAKZHLF-UHFFFAOYSA-N 402.520 1.266 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccccc1OC(F)(F)F 559541602 JJEUWLHYMAUXLZ-UHFFFAOYSA-N 424.383 1.470 30 10 HDEE CN(CC(=O)Nc1ccc(Br)cn1)S(=O)(=O)CC1(C#N)CCC1 573846036 BLZUUEDJXNARNG-UHFFFAOYSA-N 401.286 1.738 30 10 HDEE N#CC1(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CCOCC1 609666411 JLFXPXFTONYRMJ-UHFFFAOYSA-N 408.252 1.754 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 610048910 KBTPWXOABSXRIW-UHFFFAOYSA-N 424.505 1.931 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](n2cncn2)C1 685533708 JVEWISXRCFKSLF-INIZCTEOSA-N 413.507 1.968 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccoc2)c1=O 727416468 QTIIRRBWGOSIFH-UHFFFAOYSA-N 417.556 1.818 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727417388 DMDAKYVCTBEBSK-UHFFFAOYSA-N 422.510 1.560 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CSCN2C(=O)CC)c1 727993170 JKRAKWWUWIBUGO-SFHVURJKSA-N 415.515 1.171 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)OCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 731213216 XBRHFTWTIXSCNC-GOSISDBHSA-N 406.504 1.704 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 734292354 KIWHVMXYZTULHF-NWANDNLSSA-N 403.460 1.235 30 10 HDEE CCCn1cc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cn1 734977379 PTWCPEMLBOSVTQ-UHFFFAOYSA-N 422.467 1.668 30 10 HDEE C[C@@H](CC(=O)NCCN(C)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742586442 QBNDQEKCWYDMFY-HNNXBMFYSA-N 406.552 1.884 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(OCC)c3)c2=O)cn1 743732181 NRTVWLMJZRXAQW-UHFFFAOYSA-N 405.483 1.931 30 10 HDEE CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OCCCO1 754454152 PQLPLHYWHXPBDV-UHFFFAOYSA-N 407.492 1.228 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ncccc2Cl)C1 757694654 XNBLFDFFRIDYQL-FUYOWACXSA-N 404.858 1.139 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767873898 VXSKBSKWNAASRI-LBPRGKRZSA-N 403.529 1.664 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 768974030 YBTUQRUQWGOJFT-CCEZHUSRSA-N 404.275 1.939 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cnc3c(C)cccn3c2=O)cc1 773769484 IQAIJYBJLODHSL-KRWDZBQOSA-N 404.426 1.693 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@@H]1CCS(=O)(=O)C1 774216877 KIKTZAPWHPRMNB-SJORKVTESA-N 419.503 1.708 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)cc1 781846264 TYYLMUYXWROQDA-OXJNMPFZSA-N 422.503 1.075 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)NCc1ccc(C#N)cc1)CC2 786798669 BHRCHGYXISGMLR-UHFFFAOYSA-N 423.469 1.793 30 10 HDEE O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCCN/C(O)=C1/N=CC=CC1=O 788661733 OLHBEJISPKAOAU-PFONDFGASA-N 402.760 1.939 30 10 HDEE Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 794580139 URAGNAVDBFZNBL-GOSISDBHSA-N 417.494 1.610 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 796096553 DYRAAAMIGICRFX-HNNXBMFYSA-N 400.456 1.939 30 10 HDEE COc1ccc(-c2nnn(CN3CCN(c4ncccc4C#N)CC3)n2)cc1OC 798229221 IYOZEQKOLLCQIA-UHFFFAOYSA-N 406.450 1.404 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798741422 PTGWSNXQWDYPJC-STQMWFEESA-N 401.423 1.019 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 803520299 LCNMZJUZFOZCBD-GOSISDBHSA-N 414.473 1.615 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 809926712 QBAGLLDMDPBMRS-GOSISDBHSA-N 417.535 1.668 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 820179019 DMLWIYBQCFGSBW-CQSZACIVSA-N 421.500 1.215 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 916178400 VVCDINUQADNDDO-UHFFFAOYSA-N 422.422 1.661 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(C2CCN(C(C)=O)CC2)C1=O 917700312 DRAZEDXBAAMRIZ-QGZVFWFLSA-N 413.503 1.637 30 10 HDEE COCc1nnc(CSc2nnc(NN=Cc3ccc(C(=O)OC)cc3)n2N)o1 1084136384 PFGXQNAYBIMEFZ-UHFFFAOYSA-N 418.439 1.046 30 10 HDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)c1C 1084206922 MSNNLKPNOBNWLY-UHFFFAOYSA-N 417.543 1.116 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(CC#N)n2)C1=O 1132801436 RRWFLTIYKOZBJU-OAQYLSRUSA-N 407.430 1.870 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]([C@@H]4CCCO4)C3)CC2)cc1 1133387478 VMRZXKUVJZJKKB-QUCCMNQESA-N 417.531 1.986 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2S1(=O)=O 1134300947 GFUCLLASCMUGHC-UHFFFAOYSA-N 418.471 1.717 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134429174 QUAWSTTXWRZPDQ-SQGPQFPESA-N 417.487 1.184 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cc(C)no3)CC2)s1 1136068879 AMPXKUHXEVQSLP-UHFFFAOYSA-N 424.548 1.396 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCCNc3ccc(C#N)cn3)CCC2)C1 1141487044 OOPGTKAIKIYDQE-UHFFFAOYSA-N 415.494 1.633 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 1144940306 LORNFPWLCKUVCT-UHFFFAOYSA-N 401.492 1.351 30 10 HDEE C#CCOc1ccc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1146478215 OVTIZPAECMNKQL-QGZVFWFLSA-N 408.863 1.630 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(C(=O)OC)ccc3C2)c1 1176399274 YAZZBWIPWWXIAJ-UHFFFAOYSA-N 412.467 1.583 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3)CCCC2)CC1 1222515406 YISNOSPDSPDUIF-UHFFFAOYSA-N 404.536 1.293 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ncn(-c3ccccc3)n2)C1 1225935698 AQOYRHYQSJLJCK-GOEBONIOSA-N 411.466 1.826 30 10 HDEE Cc1nn(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1C#N 1278721604 GEMOLAJPTCVNNJ-ZDUSSCGKSA-N 405.455 1.779 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1286297443 WQEYUPMRYUWIMI-BBWFWOEESA-N 420.558 1.995 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCCC1 1286468885 MTKZZKBACSQPNS-UHFFFAOYSA-N 400.527 1.921 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2sc(C)nc2C)CC1 1286483279 FJHRQZGVJOKSGV-UHFFFAOYSA-N 413.551 1.277 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(C)no2)CC1 1286491030 BKKZZHVPMMFSSV-UHFFFAOYSA-N 419.489 1.574 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1286493704 GCPBPUXCEWEIBG-UHFFFAOYSA-N 420.583 1.477 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286494781 PTWJFJCLWUIAJV-FTRWYGJKSA-N 421.567 1.555 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1286606727 YZVJZKRUHBERDS-QGZVFWFLSA-N 413.526 1.939 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1286611988 TXHKPBVGFYLXHG-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=C(C)COCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1286613605 CNARSCFURAXKJY-UHFFFAOYSA-N 401.515 1.755 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC2(O)CC2)CC1 1286640259 IGNMZRPUHVBTDQ-UHFFFAOYSA-N 417.535 1.877 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1286726859 JMFZRAALCQNGSX-AWEZNQCLSA-N 416.507 1.558 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1286782754 FHEFMNFLDHVKHU-UHFFFAOYSA-N 408.462 1.884 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)N(C)C)C1 1286803155 DFMWFQKKNIZNBH-INIZCTEOSA-N 413.478 1.933 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288282356 TUHDGJQEONFEGD-YZLZLFLDSA-N 407.515 1.597 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1288976678 CDCJVYKEUXXWCN-BEFAXECRSA-N 402.499 1.194 30 10 HDEE C=CCn1cc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)nn1 1295565085 DHDUUVASGAFCER-HXUWFJFHSA-N 408.506 1.413 30 10 HDEE C#CCC[C@H](O)CNC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1296955605 CKQXRGKOLXVUKC-HNNXBMFYSA-N 400.479 1.952 30 10 HDEE CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1300000760 PLEIABQRVIYVLI-ZBFHGGJFSA-N 411.455 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1300283496 NAPCNRUIIXZKPW-NSHDSACASA-N 410.356 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1300310904 PSNPAVRTSVHPLP-TWMKSMIVSA-N 409.556 1.505 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1300313831 PQCAUMBMEZTTBR-GOSISDBHSA-N 424.549 1.500 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300458496 IPUHVXLXNDDFSL-SJORKVTESA-N 401.536 1.986 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN(C)C(=O)OC(C)(C)C 1300506759 XWRJRRFAAFSBCR-UHFFFAOYSA-N 402.499 1.356 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCCC2)CC1 1300697666 GNUGLPZDZIJKDA-RBUKOAKNSA-N 413.570 1.106 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)CC1 1300700823 XIALEJBJOBQJAH-INIZCTEOSA-N 405.549 1.045 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCSCC#C)CC1 1300726894 SQVXCFGTNUQHMS-SFHVURJKSA-N 415.563 1.852 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCC)C1 1300780498 RNTBTLNDCGSOKF-ABSDTBQOSA-N 422.599 1.612 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300879742 FLILXWCRQDOOSE-BZSNNMDCSA-N 417.535 1.945 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 1300986047 JUQZKPZBHVCWGD-QHCPKHFHSA-N 423.517 1.809 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1301289778 POXZZZYYERICMO-UHFFFAOYSA-N 409.494 1.938 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N(C)C)C1 1301567855 MEDCUYSECRBONN-JZXOWHBKSA-N 407.515 1.262 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1303635583 BDOPLIZMHRRPGI-HNNXBMFYSA-N 402.524 1.827 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 1307767322 IXMJIXQICGSUTJ-AWEZNQCLSA-N 416.551 1.866 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1308142072 PABUYTIGYAQDPT-LJQANCHMSA-N 417.531 1.210 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Br)c2C)CC1 1310245586 VIFZKDWAXMGCSK-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1314940485 ZYVAJEIYRDFRIX-IAGOWNOFSA-N 421.505 1.304 30 10 HDEE COC[C@H](Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1315810117 ZCBMWDYFQRSTRB-ZYSHUDEJSA-N 411.478 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cccc(F)c1C#N)CCO2 1327785702 PSQXPDKDVZUJDT-UHFFFAOYSA-N 411.455 1.708 30 10 HDEE CNC(=O)Cn1nc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cc1C 1358162189 QIBSBOIZXJDZSB-CQSZACIVSA-N 406.487 1.853 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@@H](O)C1 1358941362 HGUFVGMNZPRHOF-NVXWUHKLSA-N 402.520 1.969 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358965999 GGMPYDNBAKEKNH-MRXNPFEDSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1358997812 FXSZEPLHUWKBRY-QFIPXVFZSA-N 405.458 1.343 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1358999895 GPWQZIHYYCUQDR-HNNXBMFYSA-N 417.535 1.721 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC2CCOCC2)CC1 1359034893 FXJRNCUKHJABPQ-HXUWFJFHSA-N 417.554 1.861 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2=CCCOC2)CC1 1359045015 UODRDUVRCNJPHO-IBGZPJMESA-N 413.522 1.485 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1359203382 OGCALDISWCRXPQ-HNNXBMFYSA-N 413.544 1.192 30 10 HDEE C=CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1359220622 DNJROTCGEBKUCK-LPHOPBHVSA-N 412.556 1.910 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1359240720 WKXGNKUATKCKDM-MRXNPFEDSA-N 403.508 1.210 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1359286587 CUTBNKILSYODMM-GJZGRUSLSA-N 414.514 1.805 30 10 HDEE CC(C)(C)c1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)on1 1359518867 QSWKNNPIANWNDO-OAHLLOKOSA-N 413.482 1.577 30 10 HDEE CC(C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359707503 VCXOKVINUHEMPJ-STGLLQLASA-N 415.498 1.020 30 10 HDEE CN1C[C@@H](C(=O)NCc2ccc(OCC#N)cc2)N(C(=O)OC(C)(C)C)CC1=O 1443099414 LXAYKUZUUFYTDM-INIZCTEOSA-N 402.451 1.283 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1447477554 ODDIGUQJYWKFSG-OAQYLSRUSA-N 401.463 1.910 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]12COCC[C@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OC 1448499416 WNSNPMSOSAHXDD-AUSJPIAWSA-N 412.483 1.120 30 10 HDEE C[C@@H](Cc1cnn(C)c1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1449663009 RPQWLKYMDQPYKF-HNNXBMFYSA-N 417.535 1.766 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(C)c3ccccc3C2)s1 1453573934 BWORXSVGFMBDTJ-UHFFFAOYSA-N 419.528 1.760 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1459930166 NEOACFQIHQCNQQ-QGZVFWFLSA-N 403.479 1.945 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c1=O 1464015579 UDISSSJEUDYLJQ-AWEZNQCLSA-N 404.220 1.778 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(Cc3cscn3)CC2)c1 1464766459 DXYVGFXTZWNOOU-UHFFFAOYSA-N 422.507 1.928 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1467516648 UOVGYSCEDFLHQZ-FGTMMUONSA-N 420.462 1.273 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)CC1 1468537869 OEYWXMNVPZMYMJ-KRWDZBQOSA-N 418.523 1.055 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1471522500 YGNVJMCNLUKDPO-UHFFFAOYSA-N 415.515 1.336 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@H]3CCCO3)C2=O)cc1 1478568731 QTFYUGXPYWKKJV-AQNXPRMDSA-N 412.490 1.639 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)n1 1492744674 VRIMMWUKMBMSRW-NRFANRHFSA-N 410.526 1.748 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1507527932 WRLACUZYXHLCQZ-INIZCTEOSA-N 412.519 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCOCC1 1507545729 AIBMUQQMUVYLQU-SQNIBIBYSA-N 405.543 1.571 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1507563396 HGXGCOGSIAVZJD-MRXNPFEDSA-N 419.551 1.090 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507616951 QACKTVPRNXEVGD-KBPBESRZSA-N 419.473 1.134 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc(C)s1 1507642595 XGIUKXRLLBYCOJ-IBGZPJMESA-N 400.508 1.600 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(OCCO)c(OC)c1 1507646683 RARMQBLOJXHRAD-UHFFFAOYSA-N 405.458 1.774 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1507652711 KWFJWHRGEKIWJU-LBEKAKSKSA-N 409.515 1.229 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(C)(=O)=O 1507708119 DTDLGZWLVTVNDB-UHFFFAOYSA-N 415.519 1.567 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507946815 XANSJAKZNUCNOM-MRXNPFEDSA-N 410.482 1.468 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1508094537 GYOHMOZUOAQQCU-GOSISDBHSA-N 405.543 1.943 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N[C@H](C)CC)C1 1508109302 PZGWLXNFGRERJZ-SJORKVTESA-N 418.542 1.600 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCO 1517106275 QTOWMFYWCFFEAY-GOSISDBHSA-N 417.535 1.851 30 10 HDEE COc1ncc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1C(N)=O 1518635219 FMUWELFDLLFHCR-NSHDSACASA-N 413.821 1.706 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCO[C@@H]1C 1519166980 LUHDFYADLZYVJE-KUHUBIRLSA-N 420.901 1.900 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cc1 1521095934 TUOLCFCXLNDXAL-AZUAARDMSA-N 422.489 1.989 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1535097990 MEGIWSHHMLDSAE-RHSMWYFYSA-N 412.483 1.850 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1538975916 FPZKVPDIUSZRJU-LAUBAEHRSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1539190219 DJMKZAQMRMROMC-GOSISDBHSA-N 401.536 1.557 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1539246186 PUUVQOITRSYFBQ-OPAMFIHVSA-N 410.474 1.575 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCNC(C)=O)CC1 1539441183 LPMYZFDPCQQZOW-UHFFFAOYSA-N 400.914 1.880 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539446732 HXTHDCTVRUJBQV-KRWDZBQOSA-N 405.568 1.516 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 1539452177 NEGDNOZNHJEVKP-UHFFFAOYSA-N 409.600 1.835 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1540036967 YJXKXYKYLLYPSE-SFHVURJKSA-N 413.526 1.881 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1540064101 JRONNKZODUKIRD-UHFFFAOYSA-N 414.535 1.930 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1 1540299497 LJPWNYMHKSVKKF-UHFFFAOYSA-N 405.520 1.847 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1540871673 QLFUHPAVSVAMJL-VGSWGCGISA-N 411.506 1.836 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1nccs1 1540873084 MCPFJRTZGWFIEI-UHFFFAOYSA-N 422.518 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1540902469 KEFUGLPJLAUCAO-SFHVURJKSA-N 415.519 1.891 30 10 HDEE CN(C)C(=O)c1cccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1543520583 RRJMJQNYIXCHGM-UHFFFAOYSA-N 417.462 1.797 30 10 HDEE CN(C)C(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1544295642 KQBWRFMDHJEKKB-GOSISDBHSA-N 400.479 1.987 30 10 HDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C#N)c1 1544703271 ZWMQPONWSCCNOE-IUODEOHRSA-N 408.480 1.588 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N(C)CCc2cccc(C#N)c2)CC1 1544902337 LRBWIFRASJWTKP-UHFFFAOYSA-N 401.507 1.897 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1cccnc1 1546532263 FVRHDDKDCYVKEA-MRXNPFEDSA-N 403.494 1.855 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1555670955 ORDLGLXXHFVBLO-ZACQAIPSSA-N 418.498 1.627 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(COC)CCC1 1555752926 HORWOUKDVSKYBI-BZSNNMDCSA-N 419.526 1.938 30 10 HDEE CSC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1555825717 BEMTXHJQHDYCAY-GFCCVEGCSA-N 404.496 1.876 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCN(Cc4ncon4)C3)cc2C1=O 1556565271 KJYIRMTYHNBXBQ-CQSZACIVSA-N 409.446 1.494 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)cc1=O 1558583086 MWVXLTXYLFLOQJ-AWEZNQCLSA-N 406.364 1.251 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3cc(C)n(CC)c(=O)c23)c1 1559000773 NQJWROBTGWVVJP-UHFFFAOYSA-N 413.459 1.217 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1563001387 WGEUPMRWLPJHTL-VXGBXAGGSA-N 408.421 1.870 30 10 HDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 1565249764 LTGCSZVVTQKRKG-UHFFFAOYSA-N 419.547 1.746 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)C1=O 1568184647 ZVMPDLONCMKWCK-ZDUSSCGKSA-N 419.825 1.998 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCO[C@H]3CCCCO3)C2=O)cc1 1569857522 ODRFHYUTDFMRAX-WMZOPIPTSA-N 400.435 1.423 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC2(CCN2Cc2ccccc2)C1 1570581719 HEKRNUDDTIXHSZ-QGZVFWFLSA-N 424.526 1.712 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1583661971 RPGPDDIVKJFGGD-MJGOQNOKSA-N 406.504 1.323 30 10 HDEE CN1C(=O)CS/C1=C/C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847836 GGSPYLYWDHJFND-RGVLZGJSSA-N 408.487 1.644 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1585466841 BEBIWGCNNDBWNM-HNNXBMFYSA-N 404.492 1.251 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1587793045 FNICATBPWSRAHF-SVMVAKDDSA-N 415.538 1.837 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCn1cnnn1 1588088841 AXFGQBXQQAKTMJ-UHFFFAOYSA-N 411.473 1.951 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1588263046 ORUOFIJZMPECLS-UHFFFAOYSA-N 417.535 1.469 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1588387123 RNNXWHXOZVVQOH-SFHVURJKSA-N 407.584 1.762 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1588421018 YRQXYILIMJWQGO-UHFFFAOYSA-N 416.489 1.963 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1oc(CC)nc1C 1588673323 OLPMAEUKCNTXRT-UHFFFAOYSA-N 400.483 1.394 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CSCCS2)CC1 1588806457 RCUCKHLJKVEHJO-HNNXBMFYSA-N 401.565 1.339 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1596821771 FQLRHTOPTLQURB-DOTOQJQBSA-N 409.494 1.484 30 10 HDEE CCc1ccc(Br)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607497309 FCLQGILMGTVIGU-UHFFFAOYSA-N 403.236 1.843 30 10 HDEE CC(C)NC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1610016541 DUAREMLGRICIGA-UHFFFAOYSA-N 409.494 1.547 30 10 HDEE CC[C@@H](C)c1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1613179628 BSZPTBYCRCBTDR-UDJKBAMHSA-N 424.509 1.787 30 10 HDEE C[C@]1(CCCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)NC(=O)NC1=O 1624572322 AJMHNVCGQKHGNI-OXJNMPFZSA-N 401.442 1.303 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)(C)O)C[C@@H]2C)s1 1625327718 CXDCWGPZXOUPGZ-AWEZNQCLSA-N 415.581 1.059 30 10 HDEE CC1(C)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCS1(=O)=O 1626713593 KPNVTSNJFJBGHH-UHFFFAOYSA-N 402.469 1.162 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1 1626948757 SNVMTVNOCMIWJB-ZDUSSCGKSA-N 401.160 1.954 30 10 HDEE CC[C@@](NC(=O)CCn1cc(C#N)c(O)nc1=O)(C(=O)OC)c1ccc(Cl)cc1 1627287165 ICOBQCGREASZQZ-IBGZPJMESA-N 418.837 1.459 30 10 HDEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCn1cc(C#N)c(O)nc1=O 1628523233 FGPOSUYFCJKVAU-UHFFFAOYSA-N 422.344 1.199 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(O)(C3CC3)C3CC3)CC2)cc1 1629357347 LFGSTWJZJUFSHH-UHFFFAOYSA-N 417.531 1.626 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 1630680215 KMJWYPCNBQJTFI-UHFFFAOYSA-N 420.441 1.646 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1631483524 WRKWVJVYGFZHCI-MSOLQXFVSA-N 424.519 1.520 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(Cc2ccccc2)c1N 1631743994 AFRAVQIMFFBHKS-HNNXBMFYSA-N 402.462 1.526 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1633897583 AZGNLQAEAWDBFN-QGZVFWFLSA-N 408.462 1.425 30 10 HDEE N#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1635476609 OAHJEQWTVDDLSE-NSHDSACASA-N 406.291 1.395 30 10 HDEE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N1CCN(C(=O)CC#N)CC1 1635737141 GWOXVZMHMIPXBK-HNNXBMFYSA-N 423.560 1.935 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 1637344735 GRHMFKDMNOELNF-SJORKVTESA-N 401.825 1.944 30 10 HDEE C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1638404004 GEXLSYXLGONCRJ-GOEBONIOSA-N 421.519 1.805 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)c1 1639351976 MRBNVYIHUPHFTE-LJQANCHMSA-N 405.516 1.781 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 1640342836 HRARQAMTEIEIFK-UHFFFAOYSA-N 419.438 1.840 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1645565283 ZGFYUWSXDCMNQX-XMSQKQJNSA-N 417.506 1.874 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 1654679291 VPTMPBQSXWNKOS-UHFFFAOYSA-N 406.870 1.636 30 10 HDEE C#CCN(Cc1ccccc1)S(=O)(=O)c1cnn(C)c1I 1661882619 GFOXIAAPPMICNA-UHFFFAOYSA-N 415.256 1.849 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1670155960 BKCYPHSFZQCGHH-INIZCTEOSA-N 414.549 1.222 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 1682428386 LXYBKNREIHGQOM-SQNIBIBYSA-N 401.511 1.551 30 10 HDEE C=CCC[C@@H]1CCCN1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1682991953 KQIHIZBEHDZPLL-MRXNPFEDSA-N 421.519 1.971 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C2 1683590235 NWEOGEWGBOXWCL-QXAKKESOSA-N 402.520 1.718 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684077041 PZIXGEVAMBNXCJ-SJLPKXTDSA-N 412.471 1.786 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC1CC1 1689946372 QEPDFBJXPTVCEH-OAHLLOKOSA-N 417.535 1.795 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1ccnn1 1690034561 LQXMBVGBEBDUFL-OAQYLSRUSA-N 411.510 1.463 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@]2(O)CCOC2)CC1 1690135371 UZNYMUXTRVZHLW-JBYIUTFZSA-N 417.554 1.103 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)CCOC)CC1 1690142137 JBCKEBYNWPUMDW-NRFANRHFSA-N 414.510 1.027 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1690668094 SDURRNTXITUSFX-UHFFFAOYSA-N 422.415 1.964 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690669626 KMNICJOWHCFEIS-IBGZPJMESA-N 415.586 1.453 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(CC)s2)C1 1690684679 LJZGKJIZKDIOCL-ZDUSSCGKSA-N 405.528 1.660 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1692525522 RRHMLWGFPSSQMO-YJYMSZOUSA-N 423.493 1.771 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)CCC1 1692780308 AKONSUKFMQYESN-HNNXBMFYSA-N 423.587 1.503 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1705507907 GNCWYCSLAFKFGX-UHFFFAOYSA-N 413.526 1.838 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1705552098 IFSVZKZTNVKGBY-OAHLLOKOSA-N 404.515 1.550 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(C(N)=O)CCCC2)CC1 1705647901 LAOYGGDPWIORHG-UHFFFAOYSA-N 414.554 1.488 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705662676 HFKCUASHUMLOEM-IBGZPJMESA-N 416.576 1.717 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1705673479 AJKRIGMEJKNGPG-OXQOHEQNSA-N 416.551 1.700 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1OC 1712530824 NEZNLHDUJHNFDF-AUUYWEPGSA-N 404.446 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1722275766 GDJHTYHULJIRCI-QMTMVMCOSA-N 411.572 1.678 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1722343883 KSOPJGJRTUWDDJ-QFIPXVFZSA-N 411.506 1.730 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1722528519 HVWXFUSUJQAPCY-KDURUIRLSA-N 418.586 1.806 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)CC)CC1 1722562453 AVHAAUAHRMSAGY-UHFFFAOYSA-N 407.482 1.556 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722697466 KYQRAIZMQSURMJ-ZWKOTPCHSA-N 412.494 1.335 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccncc2)C1 1722710982 QZSHEUZFCJCSAM-WBVHZDCISA-N 420.539 1.307 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)COCCO2)C1 1722711782 WLHFREZZTOMAKS-JRGCBEDISA-N 422.526 1.517 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1722737899 UZMHXIGWOWHQTQ-UHFFFAOYSA-N 420.539 1.886 30 10 HDEE CC(C)Cc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1723328621 CYHVNLRLFKPGQL-SFHVURJKSA-N 412.494 1.817 30 10 HDEE CC(C)COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1723520786 CYHAXJOJDOQZCR-OAHLLOKOSA-N 412.560 1.691 30 10 HDEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1723713621 PYKAWXYOWZWUFA-GOSISDBHSA-N 409.494 1.846 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cl)nc1 1723924833 FRUAXQCILIYNDZ-GFCCVEGCSA-N 423.930 1.725 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1728187824 YUKZJMUXTWFZCT-JOCHJYFZSA-N 421.505 1.449 30 10 HDEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728204542 DGILVOKDUTZVON-UHFFFAOYSA-N 408.510 1.350 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)CC#N)C1 1728941184 UWFBYASBBLHDCL-MLZSNDPCSA-N 407.515 1.670 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1729221117 SPCZCBRCQIDOBM-APWZRJJASA-N 424.571 1.979 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1729722798 AMDFUAKSARAXCO-IEBWSBKVSA-N 424.505 1.870 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC(=O)N2)CCO1 1731186651 REPHUXHKNNSKDW-UKRRQHHQSA-N 418.404 1.554 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1740533106 OUFNPLDFEVYEMW-CVEARBPZSA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1(C(=O)N(C)C)CCCC1 1740598567 VDPMWAAYJDXGGH-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740675579 SAVCABYHRPLCTB-SJORKVTESA-N 409.556 1.478 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740718032 GJFJWSKQNSFVAT-KXBFYZLASA-N 405.524 1.917 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740957723 YPPOWDSGFUQOPE-SJLPKXTDSA-N 413.526 1.122 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1740961319 UCYTTZUVPWGLRE-INIZCTEOSA-N 415.473 1.682 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccccn2)nnc1[C@@]1(OCC)CCOC1 1740965079 LKWZTFBTOCMWAL-HXUWFJFHSA-N 400.483 1.264 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(O)c2)C1 1740978852 DDDIWELIICKASN-HZPDHXFCSA-N 413.478 1.773 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1741127441 BVOGQHQEAROHTI-ZIAGYGMSSA-N 417.491 1.704 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)cs1 1742559414 IUPSSGGLYGSWLF-CYBMUJFWSA-N 423.568 1.265 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1748818200 XHEVNNAVBJINTJ-CRAIPNDOSA-N 402.520 1.569 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC1(O)CC1 1748842162 DYFGHLSHMDFGPJ-UHFFFAOYSA-N 416.485 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1748964250 AUVSHGYALKAWFE-UHFFFAOYSA-N 406.490 1.405 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCn2c(O)nc3ccccc32)CC1 1748989132 GAUUDTRGAJOVGA-UHFFFAOYSA-N 407.522 1.987 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749032956 VYUHBIUMROZUSQ-KRWDZBQOSA-N 415.567 1.786 30 10 HDEE C#CCSCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1749049213 ZFCKQEKXOCMSMV-HXUWFJFHSA-N 418.567 1.757 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749280042 ALMNEFWHWCXGTH-MRXNPFEDSA-N 405.886 1.869 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1749499098 QDEVZKCKBJMMJE-UHFFFAOYSA-N 412.494 1.548 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1F 1749667287 XFCUFFNXERANBP-CZUORRHYSA-N 400.458 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749725043 NHKNHHHWAFHHBS-LJQANCHMSA-N 419.551 1.043 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccn(C)n1 1750138835 DHTCNERBPXAUHY-QOKNQOGYSA-N 403.462 1.420 30 10 HDEE C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1751130939 RCJSNKIGZAXDLE-KRWDZBQOSA-N 419.537 1.827 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C1CC1 1751236318 BXCGHWGLFLWHFB-UNEWFSDZSA-N 400.508 1.967 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC(=O)NCC(F)(F)F)c1 1760126142 QQEGBZIFOMFQRW-UHFFFAOYSA-N 408.384 1.321 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760160426 DAXFIWMZJXYBTN-DYESRHJHSA-N 403.527 1.994 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1760174766 IBNJNWHTPAEMNE-INIZCTEOSA-N 419.526 1.961 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760186475 NUJWKDMUFHSLOG-QZTJIDSGSA-N 407.584 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC(=O)N1CCOCC1 1760220226 DXJLIKLIDCTOKJ-UHFFFAOYSA-N 409.465 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(-n3cncn3)c2)CC1 1760269896 GDQULLYQRUZCQW-UHFFFAOYSA-N 418.505 1.435 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1760330253 WSLOPTHCTSXSRX-BBRMVZONSA-N 403.574 1.159 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760356145 GUZMTAYXIFRUGC-IRXDYDNUSA-N 403.527 1.953 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccnc2)C1 1760534908 IPRUGMZGGXFIAP-NVXWUHKLSA-N 420.539 1.307 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1760569031 AOPXVGHFBIMVLG-INIZCTEOSA-N 406.556 1.425 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1761237898 DNXOSEWGLHEWEU-CQSZACIVSA-N 421.502 1.060 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1763755274 KMCOWXXDEDSMMK-OPAMFIHVSA-N 422.537 1.863 30 10 HDEE CNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1767795196 KZSSCDKRUWVYTO-HNNXBMFYSA-N 414.901 1.306 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1768669150 PGNDBKXRNAAOLM-SJORKVTESA-N 413.478 1.966 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1769272188 KJNUVYXZWKZUJC-SFHVURJKSA-N 400.458 1.860 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC[C@@H]1C 1770631188 CHBLQPJNAIRDSM-DKZVUGQWSA-N 410.522 1.745 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCCn2cc(CO)nn2)c1 1771531248 HKYPEDFCLQYKPH-UHFFFAOYSA-N 414.420 1.836 30 10 HDEE C=CCN(CC=C)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1848481472 CQYCRGWNOMTIJL-UHFFFAOYSA-N 423.429 1.992 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)CC2 1848672171 HUIAGKUILZLIKA-CHWSQXEVSA-N 408.446 1.247 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)CC2 1848672172 HUIAGKUILZLIKA-OLZOCXBDSA-N 408.446 1.247 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 1850309523 HKHSIBYUQLBLNC-HXUWFJFHSA-N 421.563 1.700 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1851042921 FAJNFWVWHYBTEW-GOSISDBHSA-N 419.547 1.263 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3CCc4ccccc4O3)c(C#N)cc2C#N)CC1 1851239214 QCXZUDYYUMYNBK-IBGZPJMESA-N 402.458 1.909 30 10 HDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(C#N)cc1 1852459268 AFZBNOSTHJMMNP-CYBMUJFWSA-N 404.414 1.630 30 10 HDEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCCCN2CCCC2)c(C)c1 1853417400 AEDJLEGSWVWUHC-UHFFFAOYSA-N 420.539 1.689 30 10 HDEE COCC(=NOCC(=O)N1CCCC[C@@H]1C)NS(=O)(=O)c1ccc(C)cc1C 1853479411 BVERHTFGSYNZIQ-INIZCTEOSA-N 411.524 1.959 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccnc3ncccc23)C1=O 1853805020 WGSWFHQBEULFBZ-QZTJIDSGSA-N 407.474 1.480 30 10 HDEE CC(C)(C)N1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)CC1=O 1854011536 FWKYNBGNMJGYGX-KRWDZBQOSA-N 410.474 1.059 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283874 PKNVXWOSXJQDHZ-DOTOQJQBSA-N 402.474 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)C1 1854324311 MCHIDDOTMTUPDH-UHFFFAOYSA-N 416.453 1.735 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)COc3cccnc3)C2=O)C1 1854327076 MWMCIXWOYBFAEL-GOSISDBHSA-N 407.430 1.008 30 10 HDEE Cc1ncsc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854353778 WAEKXOWUPSICAT-GOSISDBHSA-N 409.515 1.882 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CC[C@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1855107163 BIORGTISHVFCHS-LAUBAEHRSA-N 400.454 1.500 30 10 HDEE CCOCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855450793 HGXOWFXNERULAJ-QGZVFWFLSA-N 419.503 1.371 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)C1 1855537631 MBVNZCDFIAAPCV-HOTGVXAUSA-N 400.454 1.789 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C2CC(=O)C2)CC1 1855607064 FSQCSEWALCOJJG-UHFFFAOYSA-N 402.472 1.812 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H](F)CC(F)(F)F)C(=O)O2)CC1 1856672090 QSSJODAHVKVVME-GHMZBOCLSA-N 415.365 1.190 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCn2nnc3ccccc3c2=O)C(=O)C1(C)C 1856754451 BXZALZSJLQRPEZ-OAHLLOKOSA-N 410.478 1.323 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC([C@H]3CC(=O)N(C(=O)C4CC(=O)C4)C3)CC2)cc1 1857121703 WSQDMAKIANORFA-IBGZPJMESA-N 407.470 1.807 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCn4ccnc43)ccc21 1857172789 RSPRZMYRLPOYBK-UHFFFAOYSA-N 400.460 1.864 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1857354608 SVHBHUKLUNOWSO-INIZCTEOSA-N 402.886 1.319 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CC[C@H](N4CCC(CC#N)CC4)C3=O)cc2)C1=O 1857354660 UNRXXWMUYXFGKU-IBGZPJMESA-N 409.490 1.925 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858965531 WDHHEBQJPRIPGG-UHFFFAOYSA-N 417.399 1.573 30 10 HDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC[C@H](CO)C2)CC1 1868783646 SOQXYYXPGUCYLW-DOTOQJQBSA-N 404.536 1.372 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(CO)CC2)nn1C 1869981160 CSHZPQDIYOSSRN-UHFFFAOYSA-N 401.467 1.606 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCC(CO)CC1 1870670778 HIDQZCLBFCPAOO-UHFFFAOYSA-N 408.495 1.197 30 10 HDEE COc1cc(/C=N/n2cnnc2SCCCO)ccc1OCCN1CCOCC1 1874539919 DPFQNBGEMVYQMB-KGENOOAVSA-N 421.523 1.354 30 10 HDEE CCCOC(=O)CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874541111 LYTWMCVLIJZZSW-QGMBQPNBSA-N 407.408 1.885 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228202 FILQPAJEKPOEPH-HNNXBMFYSA-N 412.494 1.546 30 10 HDEE COc1ncc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1Cl 1889303378 MCUJWGABDSVAOD-UHFFFAOYSA-N 420.941 1.616 30 10 HDEE C#CCN1CC[C@@H](NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1994286536 HYOCSJYPUKFNSB-WOJBJXKFSA-N 414.550 1.835 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2118163281 PEQCXDBNMGMPTI-VDBVYFBLSA-N 400.482 1.407 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 2118166350 DVXGWAUIZJNCRP-BZPMIXESSA-N 401.510 1.969 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)c1cncc(C#N)c1)C(=O)OC(C)(C)C 2118168497 LXUNVSXRTXJWLS-RUZDIDTESA-N 402.498 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162916659 VAVRRJSISVXVLV-AREMUKBSSA-N 414.509 1.546 30 10 HDEE C#CCN(c1cc(F)c(I)cc1N)[C@H]1CCS(=O)(=O)C1 2169177693 YOTYRNYVOZUHBW-VIFPVBQESA-N 408.236 1.639 30 10 HDEE CN1CCO[C@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3Br)C[C@@H]21 2172773727 FYRDLJHGASYBPT-GJZGRUSLSA-N 424.148 1.663 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C(C)(C)C1 2174778726 ANHRCKYNKUVJGE-AWEZNQCLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)[C@@H](F)C1 2174784439 NUASZSNBXUCSNX-KBPBESRZSA-N 405.492 1.574 30 10 HDEE N#C[C@@H]1CNCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br 2191770653 VRGFSXPOLQFGRM-MRVPVSSYSA-N 424.118 1.280 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195306619 FAGSLIBZNSJVAC-LBPRGKRZSA-N 403.545 1.596 30 10 HDEE CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)[C@H](CC#N)C(F)(F)F 2197502162 FJCPZXNXUBTEAD-MNOVXSKESA-N 413.418 1.227 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247845113 MGMHMJDUXXYTGK-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2247913372 VBKPCQFGPLBYLQ-UHFFFAOYSA-N 417.168 1.023 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247915731 ISDNOGBYNPVTHG-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2247919810 XYJBFVZLUISYHY-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247927162 DEMRKLPVUMECNR-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2250272850 PTGQJLNCGJXHSA-CHWSQXEVSA-N 420.319 1.742 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC[C@H](C#N)C1)NC(=O)OCc1ccccc1 2258138599 LYFJLNBAZNYBFG-CVEARBPZSA-N 409.464 1.020 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267126289 KSCKPCDZPZESDU-UHFFFAOYSA-N 407.750 1.865 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NOCCO)c(Cl)c2)OC1(C)C 2267719208 DXZPOCTWBFXUPF-UHFFFAOYSA-N 412.100 1.495 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cccnc2C#N)C(F)(F)C1 2279129982 UZWQKQSJPFUFSY-CYBMUJFWSA-N 402.423 1.876 30 10 HDEE CC(C)CN(CC(N)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336929 HURFJKVVNSUEEF-UHFFFAOYSA-N 402.347 1.179 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282420430 YZPDUWJASPGCLN-GWCFXTLKSA-N 401.359 1.665 30 10 HDEE CN(C[C@]1(F)CCOC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491955 PGQAWLFCZCNLFE-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@]23COC[C@@H]2C3(F)F)OC1(C)C 2282493161 VFBYJDVCZOGSFY-FZMZJTMJSA-N 407.269 1.360 30 10 HDEE CO[C@@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282502561 MXRCDTFZZDNFNZ-NWDGAFQWSA-N 402.347 1.429 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282506611 VEBDLYHEMLZWQL-OCCSQVGLSA-N 400.375 1.607 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H](CO)O1 2282629496 WNWPNJZQCXCGEV-WDEREUQCSA-N 401.721 1.923 30 10 HDEE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856897 AABXVXZAPUGASQ-NSHDSACASA-N 402.347 1.050 30 10 HDEE C[C@@H]1CC[C@@](O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861346 MUEVISRYXKLHNM-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE COc1ncc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 2282865706 XPGLYWPTQFFORD-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CNC(C)(C)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282871186 CPFOZGRIVLJGNF-UHFFFAOYSA-N 402.391 1.940 30 10 HDEE CNC[C@@H](C)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282872242 SUGZZZBIDJYPOP-GFCCVEGCSA-N 402.753 1.773 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H]3CN)ccc2Cl)OC1(C)C 2282882938 SVDGOEVUELPPPB-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284399896 PLXLHWMWGLXALU-JTQLQIEISA-N 403.331 1.745 30 10 HDEE CC[C@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400496 AMTNLHRKRHSVES-NSHDSACASA-N 403.331 1.806 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]3(C(=O)O)CC3(C)C)s2)OC1(C)C 2284402225 HTQLGWKQJSZLIW-INIZCTEOSA-N 401.315 1.579 30 10 HDEE CS[C@@H](C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405918 RGMSQBOIZLRFAY-GXSJLCMTSA-N 421.371 1.530 30 10 HDEE COC(=O)NC[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2286118607 ACYSFMSLRNWVLK-JTQLQIEISA-N 404.319 1.070 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc3c(c2)OCO3)cc1 2325719554 WNSOPVIECDRGEJ-UHFFFAOYSA-N 402.428 1.004 30 10 HDEE CC#CCN(C[C@H](N)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2328402978 VNJDJTOLTGAVGW-LBPRGKRZSA-N 416.320 1.947 30 10 HDEE Cc1csc(C#C[C@H](O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338365631 SXBFOSKUBYFAQR-UONOGXRCSA-N 400.522 1.588 30 10 HDEE CN[C@@H](C#CC1(OC)CCOCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2338488050 SGMXEXZZFUXDQJ-UGKGYDQZSA-N 402.491 1.547 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2365208634 SSXDKWIISYTOPT-KXBFYZLASA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C 2365213654 VZLWHVOQMIXMEV-CHWSQXEVSA-N 416.569 1.389 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](C#CC2(S(C)(=O)=O)CCC2)OCC(=O)O)C1 2367787659 MFEUKMSKTKPAGX-AWEZNQCLSA-N 401.481 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367796056 OVAMUSQLUDBCNQ-MRXNPFEDSA-N 401.525 1.592 30 10 HDEE C#CC[C@](C)(CO)CNC1(C(=O)O)CC(CSC)(NC(=O)OC(C)(C)C)C1 2377389841 OXHNBXIFDFEAGA-VIQWUECVSA-N 400.541 1.842 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)Cc2ccco2)CC1 23265509 RJXYKDOJNMRPGN-UHFFFAOYSA-N 410.518 1.728 30 10 HDEE Cc1oc2ncn(CCN3CCOCC3)c(=O)c2c1C(=O)Nc1ccc(C#N)cc1 96134212 XDZMDHLUUMDRTQ-UHFFFAOYSA-N 407.430 1.754 30 10 HDEE C=CCNC(=S)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@@H]1c1ccccc1 170548883 MPALKVPZXNIHOI-INIZCTEOSA-N 402.501 1.894 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 410074151 JNENWOVRJPADSF-CYBMUJFWSA-N 416.259 1.795 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 434812819 FOAWNBPBCMGOPN-AWEZNQCLSA-N 423.477 1.844 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)NCCOc2ccc(C#N)cc2)cc1OC 460290690 RIWSCHDKBJGLCE-UHFFFAOYSA-N 418.471 1.934 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 465566954 IGKLWBUOUMBFAM-UHFFFAOYSA-N 409.494 1.239 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCCc1csc(NC(=O)c2cc(C#N)cn2C)n1 468038978 NECRVYXYJQVAMA-UHFFFAOYSA-N 407.459 1.788 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469884340 MPWCRKVDZGVFBQ-RUENVJTFSA-N 424.457 1.563 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)cc1 476218268 MXIUAQFSHKHAKD-FQEVSTJZSA-N 411.506 1.165 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482174622 YJKJHEKOACNCLB-YOEHRIQHSA-N 406.508 1.084 30 10 HDEE CCN(CC)CC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 488364172 UWRMYWXLWFVPDV-UHFFFAOYSA-N 402.543 1.557 30 10 HDEE N#C[C@@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 499406634 RDYLVAVLZWTWAT-CYBMUJFWSA-N 405.252 1.995 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)[C@H](C)CC#N)CC2)cc1 509400021 BXIKWMZANHWZSW-OAHLLOKOSA-N 408.524 1.758 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 511137108 CRXCLPFMBPYDJY-DLBZAZTESA-N 422.551 1.686 30 10 HDEE N#Cc1cccc(CNC(=O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)c1 513581461 XSHRWMHSYLYXNB-UHFFFAOYSA-N 413.481 1.990 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1C 514654457 DFXLHBZUSLWMJU-UHFFFAOYSA-N 420.450 1.365 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCc3ccccn3)cc2)CC1 524516217 WXZSTXWZZWADMK-UHFFFAOYSA-N 423.517 1.790 30 10 HDEE CC(C)CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 524821728 FQNMOKRNYNRGCN-UHFFFAOYSA-N 416.507 1.343 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)cn2)c1=O 532394224 FEWFVVUGEXIPOG-UHFFFAOYSA-N 411.527 1.912 30 10 HDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1C 536597284 CJFHMTRYLVGZIO-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 552798192 GIXYDPDZZFZCDL-QGZVFWFLSA-N 412.533 1.289 30 10 HDEE CC1(C#N)CN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 569178181 XYVFNCBPORTOOF-QMROVXIMSA-N 401.466 1.838 30 10 HDEE CN(C)CCCNC(=S)NN=C1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 575732326 NLIACMGLWULRGV-UHFFFAOYSA-N 414.623 1.248 30 10 HDEE CNS(=O)(=O)c1ccc(O)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 576872602 MFEFNXHSPMGTHA-UHFFFAOYSA-N 401.853 1.626 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 578052514 OTCOCAWKATWPHC-UHFFFAOYSA-N 412.538 1.977 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCn3c(nnc3-c3ccccc3)C2)c(F)c1 586862153 LQCQTBLVXQHVNX-UHFFFAOYSA-N 404.405 1.614 30 10 HDEE Cc1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)ccc1F 589469037 APKSXBAMIPYGBL-IBGZPJMESA-N 417.462 1.884 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730142435 OUWDVDAHDJEBOY-QGZVFWFLSA-N 406.552 1.949 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCC2)C1=O 730463408 WYCSNUBPSBXQTI-HLGQQVFSSA-N 403.552 1.545 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 731476160 XFJNMIQIMDBRLM-IBGZPJMESA-N 413.499 1.027 30 10 HDEE N#C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CCN1C1CC1 732664794 OMWMXOHYKAKSIO-GOSISDBHSA-N 402.520 1.259 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(C#N)nc2)ccc1Cl 734602703 WAGNOUUDSLKCAC-UHFFFAOYSA-N 422.850 1.652 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 735851644 BTKCGQSNJFMKMC-YWMAMYRUSA-N 406.483 1.666 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 742395916 QFAYGQVTOZWETI-UHFFFAOYSA-N 420.516 1.107 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@H](C)Oc3ccc(C#N)cc3)cn2)c1 749003715 RBUUWNKKACMPQF-AWEZNQCLSA-N 411.443 1.720 30 10 HDEE CC(=NNc1nc(Br)cn2ccnc12)c1ccc(S(N)(=O)=O)cc1 749862671 KYNQAQHSRKXDCB-UHFFFAOYSA-N 409.269 1.975 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(N=CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 755553914 GSBMXSMIUFWMTF-NRFANRHFSA-N 406.398 1.744 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(C2CCN(C)CC2)c1=O 758067067 DSPHJIHQGKQJEZ-UHFFFAOYSA-N 409.471 1.420 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@H]2O 768470253 LBYTZAKERYWDIZ-YVEFUNNKSA-N 401.444 1.680 30 10 HDEE CN1C(=O)C[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1 768760806 ZPXOADYMOOMJBX-LNLFQRSKSA-N 401.898 1.994 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCCC[C@@H]1c1noc(C)n1)c1cc[nH]n1 772534569 BFOCXFXIOQLLPF-CQSZACIVSA-N 404.427 1.529 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(-c2cccc(Cl)c2)n1 777004469 BAXSJJQHAVPZKZ-CYBMUJFWSA-N 408.853 1.933 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780882115 JPFVJIYFBDMSPP-FQEVSTJZSA-N 409.442 1.593 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 786468573 JFSORNVVQXRHGH-SHTZXODSSA-N 408.476 1.811 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 787734469 ATIHCMRIACZEKE-DJJJIMSYSA-N 418.471 1.732 30 10 HDEE C=CC[C@@]1(C(=O)NCCCNS(=O)(=O)CC)CCCN1C(=O)OC(C)(C)C 790550628 SXQQYUYODYCFGB-SFHVURJKSA-N 403.545 1.778 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCO)Cc2ccnn2CC)ccc1F 794052891 ARYISSPEKLRVNL-UHFFFAOYSA-N 410.471 1.141 30 10 HDEE C[C@]1(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC(=O)NC1 798863455 CQFWURAZUVGADC-AWEZNQCLSA-N 400.254 1.042 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ccc2c(c1)OC(F)(F)O2 803231543 UDRYOGSZJOINBA-UHFFFAOYSA-N 410.354 1.790 30 10 HDEE C[C@H](C#N)OCCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 811362794 GOSDVHZETDQZDG-PDLOQNBHSA-N 420.465 1.938 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)n1 811472189 ZNFCMHWPTSTVQI-UHFFFAOYSA-N 424.910 1.123 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 816694525 HVDZBIAKINBKFW-CQSZACIVSA-N 415.899 1.625 30 10 HDEE CN(CCc1noc(C2CN(C(=O)c3ccc(C#N)cc3)C2)n1)C(=O)C1CCOCC1 823625331 MAYGVUOCVBCUIL-UHFFFAOYSA-N 423.473 1.608 30 10 HDEE COc1cc(C=NNc2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084519287 UNJIABZVSWRWRT-MRVPVSSYSA-N 409.428 1.442 30 10 HDEE C=CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1CCS(=O)(=O)C1 1125884463 SRSKGIDOCRXHAJ-CYBMUJFWSA-N 415.309 1.761 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)c3cccc(C#N)c3Br)C2=O)n(C)n1 1126701228 PIOZKOJMTRQPNO-CYBMUJFWSA-N 402.252 1.898 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CN4CCNC4=O)cc3)cc2C1=O 1132555325 JHQVOPUWOINBOQ-UHFFFAOYSA-N 418.453 1.924 30 10 HDEE C=C(C)CCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1136285325 ZQUPIWNCFKITTG-UHFFFAOYSA-N 414.549 1.588 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)cn1 1137592972 HWYSFCNIZUNCMA-UHFFFAOYSA-N 400.445 1.787 30 10 HDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C#N)CO)c1 1140739529 LVOPHYFIQWKZGH-GXTWGEPZSA-N 403.435 1.580 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 1143719957 JXIRMNMMWZGGIC-FQEVSTJZSA-N 417.469 1.961 30 10 HDEE N#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(F)(F)F 1156052784 FFNQKYCEEVEWSJ-OCCSQVGLSA-N 405.398 1.718 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C2)c(=O)nc1O 1159490159 MTJIFTDVWYWJEV-UHFFFAOYSA-N 411.418 1.709 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC(C)(C)CC#N)cc1 1161259481 GJEIRXYWPOBGQD-FUHWJXTLSA-N 407.536 1.990 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1171788340 SBOIODJLAXDKFT-YUELXQCFSA-N 407.492 1.462 30 10 HDEE Cc1c(Br)cc(C#N)c(=O)n1[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O 1189104762 VILHZTYVDKNGOZ-CYBMUJFWSA-N 410.268 1.906 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 1193949941 VAOXZEYKSYKULD-INIZCTEOSA-N 419.425 1.434 30 10 HDEE C#CC1(F)CN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)OC)C3)cc2)C1 1214393220 KGDJRQRGOFYHOZ-AWEZNQCLSA-N 423.466 1.449 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 1215474831 JEMSYNFDVRWHIU-UHFFFAOYSA-N 415.397 1.194 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC[C@H]1C(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1 1230546877 WCYMOINBKBEHPN-IAGOWNOFSA-N 406.527 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@@H](O)C1 1254480773 GEDXSBSMFQDMCC-BZSNNMDCSA-N 400.479 1.695 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 1265140507 SNMFDXZTSAAPLM-PKOBYXMFSA-N 401.507 1.904 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1286395302 ZLXSJHFEZBPPGA-KRWDZBQOSA-N 402.524 1.062 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCOC[C@@H]1C 1286467048 QAFISZYJZCBZOO-SFHVURJKSA-N 415.513 1.815 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1286495901 HYNVURRNWXVGCZ-PBHICJAKSA-N 415.585 1.260 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286497384 QUTOVJVZNQGSDG-ZWOKBUDYSA-N 424.567 1.753 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1286672119 GSZBHFZXJWZGHC-KUHUBIRLSA-N 409.556 1.484 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286702195 NEMXBJPILHAPOL-KRWDZBQOSA-N 409.494 1.703 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1286768009 NIPROVWIMOXEOX-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1C(C)(C)C 1286793475 FWPBSBLVXPVFAW-INIZCTEOSA-N 401.515 1.288 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)S[C@@H](C)C1 1286813741 ATVNDIZLNKVRGB-KBPBESRZSA-N 415.585 1.347 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1287421202 XZRREOLARLGLMD-ZDUSSCGKSA-N 417.325 1.858 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1288195208 RSYDQCMXWBDRCR-ROUUACIJSA-N 421.505 1.446 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CCCC2)cc1 1291812971 MMKLFMNKZKZWIH-UHFFFAOYSA-N 422.485 1.190 30 10 HDEE C=CC1(CC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CN(C(=O)OC(C)(C)C)C1 1292635939 OVIFYUZFGPMUJO-QGZVFWFLSA-N 422.570 1.859 30 10 HDEE CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1293281937 GJRHWRCAIRDWBO-GOSISDBHSA-N 410.478 1.119 30 10 HDEE COC1CCN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1293590553 VBJDAKDNDKAFPB-UHFFFAOYSA-N 411.499 1.742 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1299016425 QKMDGRBIWOOBHX-GCJKJVERSA-N 424.505 1.585 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1300520731 IQAXQZYYDVKWGB-UHFFFAOYSA-N 424.936 1.835 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)on2)CC1 1300688092 AFPSZJYPKRNDJM-UHFFFAOYSA-N 407.434 1.953 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C2CC2)CC1 1300690891 KVHIKCNMFRSJMQ-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(C)cc3)n2CC2(O)CC2)CC1 1300731008 KJEPEUDLEWQXBN-UHFFFAOYSA-N 423.517 1.656 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1301424616 NBRQIIQZYCSUGQ-HXUWFJFHSA-N 424.549 1.926 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301489921 GTUAXPKLXRRLLV-OAHLLOKOSA-N 416.869 1.542 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)cc1 1301518266 HRBQUYPSNNZHDO-LJQANCHMSA-N 424.505 1.966 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301920783 PJTIFVLVCYXWER-MOPGFXCFSA-N 421.505 1.590 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1301973150 BBHRBOUYXMEDAZ-DNTCVELPSA-N 420.477 1.386 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(C)C)CC1 1303550609 UBNDAUGJXSCGSC-KRWDZBQOSA-N 410.559 1.859 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCSCCCO)CCOC1 1314113736 PHUYDEGMCMWQED-ROUUACIJSA-N 413.519 1.488 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)cc(OC)c1 1316210549 PEXSXQVCFSQAFJ-KBXCAEBGSA-N 419.457 1.927 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1358942201 MORBGDNXELBOQQ-CZIZESTLSA-N 401.430 1.413 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359131864 HROCDCURIXQFCX-CVEARBPZSA-N 400.545 1.982 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359131866 HROCDCURIXQFCX-HZPDHXFCSA-N 400.545 1.982 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1)C1CC1 1359251161 DUCQENARWSPDDN-ASFAAARLSA-N 410.540 1.265 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OCc4nn[nH]n4)cc3)cc2C1=O 1444203343 BEMVRFHNKJBGIW-UHFFFAOYSA-N 404.386 1.813 30 10 HDEE C/C=C\C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1447523726 PBKKSQRTXVQUPD-QTLSWZBMSA-N 407.492 1.519 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(CS(C)(=O)=O)CCC2)cc1 1451527694 UKFIXIAVJYBTLS-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)c1 1462858760 HSHMHTTULWSEOG-UHFFFAOYSA-N 420.512 1.472 30 10 HDEE CC(=O)N1CCC(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1463038755 GTBYNQZNZWHVOT-UHFFFAOYSA-N 418.288 1.997 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(C(=O)CC#N)CC2)CCOCC1 1465872077 BGDJTZYOLAPIOJ-OAHLLOKOSA-N 408.499 1.281 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1466064282 JJAUUARJMIRELR-JKSUJKDBSA-N 412.494 1.692 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccccc3OC)cn2)CC1 1467814317 KYSZVBAWQUGLPH-UHFFFAOYSA-N 408.458 1.390 30 10 HDEE C=C(C)CCNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1468245265 UBMPQJIZEHJCCI-OAHLLOKOSA-N 422.956 1.504 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1468801904 IRBXNNDUVPYKIL-IAFNSTAXSA-N 422.482 1.045 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(C#N)cc2)CC1 1469699290 OTPBIFBHNLHQDW-UHFFFAOYSA-N 401.463 1.728 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1470663782 ROSWEEHOVZBSPR-ASPXRTSYSA-N 404.488 1.559 30 10 HDEE CN(C)C[C@@]1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1471373590 LRHKOMYLNYRFIW-CMZAIVPFSA-N 406.527 1.298 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(=O)c2cccc(OC)c2)ccc1F 1471458839 KTHVGKHYEHZGPO-UHFFFAOYSA-N 406.435 1.911 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1474974810 AZKVPNNJZAEAFR-QGZVFWFLSA-N 424.519 1.754 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OC 1475687518 FJVCUYJGIJGKBQ-NSHDSACASA-N 411.448 1.859 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1 1476192050 RPNWSFYMINYGEL-HNNXBMFYSA-N 401.492 1.495 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCn2ncc(I)c2C1 1478552199 AWHQYODNPQHMRD-SMDDNHRTSA-N 416.263 1.994 30 10 HDEE C=CC1(CC(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1490715795 KUSOOPWBUHPNJS-RSJGLCBASA-N 403.523 1.794 30 10 HDEE CCc1nnc(N2CCc3ccccc3CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1499022666 RZQUIXJFCALQGX-QZQOTICOSA-N 406.490 1.972 30 10 HDEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1499810116 YCNOXOWQOLRDSL-PLNGDYQASA-N 400.508 1.865 30 10 HDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1503156121 DTQKFYPDBRXYDU-KRWDZBQOSA-N 412.494 1.680 30 10 HDEE Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)n1 1503690845 CNQCDYUFFYDRCZ-UHFFFAOYSA-N 419.493 1.280 30 10 HDEE COCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1504796618 GRDSJIOVAZRYPL-INIZCTEOSA-N 419.507 1.504 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1504999432 NNBDPPZPZLGLJD-LPHOPBHVSA-N 418.542 1.605 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCOC1CCOCC1 1507516240 AYLJTCZFEHDAOG-UTKZUKDTSA-N 406.527 1.974 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1507532571 FSJYRKXQXJEWJI-CRAIPNDOSA-N 424.505 1.688 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507571658 JDLOMDYVNMDIEM-UHFFFAOYSA-N 400.527 1.622 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(NC(C)=O)cc1 1507639543 ZIQZAMCYIIHCRD-UHFFFAOYSA-N 418.501 1.788 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507948712 UIFRLHTVYBWTMJ-HZPDHXFCSA-N 402.499 1.023 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508095049 KXVWRZQCVRPPPD-QGZVFWFLSA-N 410.522 1.423 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N[C@@H](C)CC)C1 1508109295 PZGWLXNFGRERJZ-DLBZAZTESA-N 418.542 1.600 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508129241 AXLRKBUMEPGDTB-FRQCXROJSA-N 412.556 1.775 30 10 HDEE CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514267358 MDIZBQWLTOVVSX-BLIXFSHQSA-N 402.543 1.900 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1514410435 NWVIUHJPIQSNCU-INIZCTEOSA-N 424.571 1.931 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@H]([C@@H]4CCCO4)C3)CC2=O)cc1Cl 1525760824 BVTZWLDLBXURHT-JLSDUUJJSA-N 403.866 1.971 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)C1=O 1529309760 QJNFIBZIRUYNCX-UHFFFAOYSA-N 405.480 1.215 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CCCS(=O)(=O)C1 1534772672 RLHCPELPNNUSRD-CABCVRRESA-N 401.529 1.905 30 10 HDEE CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1535066485 BGIAEQILPJGONW-HNNXBMFYSA-N 416.544 1.456 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1539119038 GAXGESZOYVTKFR-SFHVURJKSA-N 406.494 1.594 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC2(O)CCC2)CC1 1539453575 MMWPAWDFLDFBGR-UHFFFAOYSA-N 409.534 1.938 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)N(C)C)CC1 1539855825 IRAFCIQRZFTPPI-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C)no1 1540198552 LVZBIQIQJPWHLS-UHFFFAOYSA-N 400.439 1.989 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1540375862 ITYLCEDDRNVIDN-UHFFFAOYSA-N 414.483 1.186 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1541112475 HVLRZJOGHCFXKC-HOCLYGCPSA-N 405.466 1.454 30 10 HDEE Cc1nnc(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543189416 XVTQHSIHKVVMGK-FJKVVAJXSA-N 414.388 1.269 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1555800680 FCOUCTTZHRXQIX-MRXNPFEDSA-N 405.480 1.656 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)C2=O)cc1 1556706622 IWLQKZYCSDBCMU-MANSERQUSA-N 410.474 1.915 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 1558073040 JRTFDAIPHDBGPH-UHFFFAOYSA-N 400.504 1.320 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033255 BYGMFHXKXSXTLV-UHFFFAOYSA-N 405.414 2.000 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCC(=O)Nc1ccc(I)cc1 1564744926 KXNJLCWIXJQNEE-ZDUSSCGKSA-N 415.231 1.567 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)Cc2ccc(Br)cc2C#N)cn1 1566433573 SVRIWSUFJCHFFB-MRXNPFEDSA-N 422.283 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)nc2)C1 1584182779 SDSUGOKKWIHHPG-OAHLLOKOSA-N 408.480 1.107 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 1586777415 GOXXWZIJESHVIJ-JOCHJYFZSA-N 411.458 1.183 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1587799156 ZOKFIWQQVPLIIA-ULQDDVLXSA-N 403.483 1.446 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1588310280 XIZACZOFTRQMTJ-QFIPXVFZSA-N 405.506 1.657 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1588412349 DCGVRKUBBMBPSH-QGZVFWFLSA-N 402.524 1.147 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1589008044 RZIOMKVGRPORQA-INIZCTEOSA-N 418.544 1.840 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1589069581 LWVSSDDQGJNFDY-KRWDZBQOSA-N 420.583 1.732 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589528652 HNCYVKSWJIXJTC-FCEWJHQRSA-N 413.526 1.752 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1594229005 GDDAZXUGDDIPEJ-QGZVFWFLSA-N 419.555 1.505 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1594720518 ODWUINOWOKDTSW-SFHVURJKSA-N 424.505 1.863 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCCC3=O)CC2)nnc1C(C)(C)C 1595602895 ULKNLZCXKYTUSE-UHFFFAOYSA-N 402.543 1.859 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC2(CCCC2)C1 1595789323 QUPHBMUPXUPPEE-INIZCTEOSA-N 421.567 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595796989 CZVNFQKQEJMGGU-UZLBHIALSA-N 424.567 1.921 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)[C@H](CO)C1 1603662189 DMZYARGTUZMXAE-DZGCQCFKSA-N 410.268 1.429 30 10 HDEE CC(C)N(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1608026341 FNLHDNXNJZLPSE-QGZVFWFLSA-N 403.531 1.362 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C)nn2C)cc1 1612144303 DLBYSSQLTIDDRV-LJQANCHMSA-N 407.478 1.985 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCN2CCOCC2(C)C)cn1 1618383574 CNKIICGMBIUNOU-UHFFFAOYSA-N 412.542 1.919 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn(C(F)(F)CO)nn2)C1=O 1618551431 ZKJZZWCRNNRADA-HNNXBMFYSA-N 402.402 1.136 30 10 HDEE COC(=O)N1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1618890320 WDXQTZMEBIOHLP-SJORKVTESA-N 418.498 1.379 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)CCC(C)C 1620111392 SYELMPNZWYWINL-TWFHAPMSSA-N 421.542 1.918 30 10 HDEE CN(C[C@@H](O)COc1ccc(CC#N)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1620502557 HXNJRBSCJMZEPT-QZTJIDSGSA-N 407.511 1.652 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCc2nnc3n2CCCC3)CC1 1623753257 KTPYRKZASVDGGN-UHFFFAOYSA-N 401.511 1.924 30 10 HDEE CC(=O)C[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625026140 MZTYSGBXTCYVEC-NHUHVJRWSA-N 405.495 1.980 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc(OC)c1OC 1627173554 BOLCYDCGPYHVHC-KFNAQCHYSA-N 423.466 1.667 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@]34CCCC[C@]3(COC4)C2)cc1 1630436517 GTJMZZAIXYEBNL-BGYRXZFFSA-N 403.504 1.911 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(OC)ccc2OC)c1 1631305601 HFHPMPJGYOXYIW-LJQANCHMSA-N 417.483 1.964 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN([S@@](C)(=N)=O)CC3)ccc2c1=O 1633980431 FZGJUJFKHDOALH-HHHXNRCGSA-N 407.521 1.221 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635421323 LZNRJMFXIAXFFQ-HKUYNNGSSA-N 423.521 1.853 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1637793404 AAEZTNNWFAKEDU-OAHLLOKOSA-N 410.455 1.148 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C1CCN(C)CC1 1639164968 GMPRCMMPDMQWSO-UHFFFAOYSA-N 419.547 1.002 30 10 HDEE C[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)C1O 1641125975 PJVHRLXGJFVCBX-RTHVDDQRSA-N 407.536 1.761 30 10 HDEE C#CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1642410905 QNTQRDNEDVBCJT-ZDUSSCGKSA-N 402.266 1.045 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@](C)(C(=O)OCC)C2)ccc1F 1643018357 JDIWOLQRFDRIRE-GOSISDBHSA-N 414.455 1.084 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)s1 1643139343 VLUGISDCDARJMV-LRDDRELGSA-N 404.517 1.833 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Nc3nccs3)cc2F)CC1 1644285130 IZBDZNCJGGBQNB-UHFFFAOYSA-N 423.495 1.251 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1644325929 GYAGIRQINSBMHU-LJQANCHMSA-N 400.523 1.298 30 10 HDEE C[C@@H]1O[C@H](C)[C@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1C 1648013369 SHLCDWBNCGEZLP-NXEZDXNNSA-N 413.478 1.856 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](O)C3CC3)nnc12 1649134627 GEFMCBSUZPTFRN-MRXNPFEDSA-N 413.503 1.600 30 10 HDEE CC(=O)N1CC[C@H](CN(C)S(=O)(=O)c2cc(Br)ccc2C#N)C1 1660925804 CFWPGWZNFHVINT-GFCCVEGCSA-N 400.298 1.810 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 1664904003 POWGTNRLQUUSLK-AWEZNQCLSA-N 402.513 1.314 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1666006370 WBAFJRKLYHMYDK-MOPGFXCFSA-N 423.535 1.381 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1)C2 1670596882 ASFZGFIUBLDAJX-JTQLQIEISA-N 406.493 1.348 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 1671566419 GDLCCNUXLCDNJK-FGZHOGPDSA-N 408.502 2.000 30 10 HDEE CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)NCCn2cnc(C#N)n2)CC1 1682197586 WGOGEXJSRZENGM-UHFFFAOYSA-N 424.461 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC3(C#N)CCCC3)CC2=O)C1 1682422177 PEOCKCSZQQHAQY-CQSZACIVSA-N 405.499 1.590 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)n1 1683056600 FKJVMQXINLFDGF-WOJBJXKFSA-N 415.538 1.318 30 10 HDEE C#C[C@H]1COCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1685153300 OFDOKPACQVVTCY-SJORKVTESA-N 407.511 1.836 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689930123 LAWMQYSQEZOAFZ-SFHVURJKSA-N 422.537 1.826 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCCO 1689948798 GNARWQVOJCONRK-UHFFFAOYSA-N 420.539 1.015 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1689965714 BSZNFNBMZWFGEK-MRXNPFEDSA-N 420.514 1.182 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1689966428 RNJDIAQRVWHMEV-SFHVURJKSA-N 416.503 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1690019649 NYCJGTIXCQQECP-KURKYZTESA-N 419.551 1.120 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1690113749 SVFYRJWZRAUZQQ-OAQYLSRUSA-N 410.478 1.198 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)CCC)CC1 1690153788 APMMWPGEUTVJDE-DYESRHJHSA-N 403.527 1.647 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1690226639 GZYYMHSFBGAOAY-QGZVFWFLSA-N 423.315 1.879 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690630947 BDAWNEMSIWXSBS-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1690670040 XBAIIKUDKNRUIT-UHFFFAOYSA-N 401.515 1.232 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCNC(=O)[C@@H]1CC 1690726985 RUVGOGQUEBOOMW-HNNXBMFYSA-N 423.564 1.246 30 10 HDEE CC(C)(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1691084678 DRTJQBUFPCNYMQ-CQSZACIVSA-N 420.539 1.854 30 10 HDEE CC(C)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1692570385 PWDGBEUBGIWULB-UHFFFAOYSA-N 411.510 1.994 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(OC)CCOC2)CCOC1 1696045423 CANMPLYHLJMXSI-RTWAWAEBSA-N 419.526 1.866 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1=O 1698171623 RPBXLDKQZVYPNN-DLBZAZTESA-N 420.514 1.133 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705538568 SZLKTERJRGINSC-GOSISDBHSA-N 414.535 1.180 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1705567484 WWTGUISXTJAFHB-IEBWSBKVSA-N 419.595 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705634506 YSKDDMWFYKXHNH-OAQYLSRUSA-N 423.477 1.087 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705661814 JOCLVGCRDNJESU-MAUKXSAKSA-N 410.565 1.163 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC1CC1 1705669123 DEKCZWRBFHLKKT-FGZHOGPDSA-N 415.538 1.837 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnccn1 1705704913 AMQNFUXXQIPBHG-OXJNMPFZSA-N 411.510 1.808 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1705735985 YYLWJVZRAGTPPL-WBVHZDCISA-N 401.467 1.993 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705894941 OPSIAYPDTVCLKB-UHFFFAOYSA-N 414.514 1.137 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)C1 1705969734 DHHIPOGGUSRYSF-LJQANCHMSA-N 408.510 1.438 30 10 HDEE Cc1c(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1707025916 RGCRVUMBRBCDDT-QGZVFWFLSA-N 407.482 1.673 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1711303390 SKLIOUGFVXRSBU-PBHICJAKSA-N 423.521 1.550 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722277661 OGBYDULWAICVAK-CVEARBPZSA-N 405.524 1.734 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1722322818 WBIUETLSUHGHAQ-QGZVFWFLSA-N 400.527 1.670 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722324454 SBQSXSTZXFASHP-AGIUHOORSA-N 423.461 1.458 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722330886 ZGJJXOVLAXFXHC-INIZCTEOSA-N 419.493 1.546 30 10 HDEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N(C)CCNS(C)(=O)=O 1722331203 YWWAUMFYAXBEGL-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(=O)OC)C1 1722333951 QDANAOZUWGUQAE-SFHVURJKSA-N 423.521 1.865 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722535973 AZWKMYAQTIZBLD-KRWDZBQOSA-N 403.527 1.870 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1722630610 LCIANRQGHAZXHQ-GOSISDBHSA-N 401.515 1.782 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722737253 YFIBFOWIGUVZLP-AWEZNQCLSA-N 421.527 1.605 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCNC(=O)C2CC2)cc1 1731180454 DXDOAEPNNXCHBO-UHFFFAOYSA-N 421.505 1.435 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC=CCO2)CCO1 1731187732 XFFHLINQPHNBNO-GJZGRUSLSA-N 414.491 1.343 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1740548646 HSLNKZCIJAHWGV-CYBMUJFWSA-N 419.507 1.289 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740588658 XTCBWLBCETXLKI-LJQANCHMSA-N 407.499 1.857 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628540 YPVWBPAIHFRRHJ-SFHVURJKSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCN(C)C1 1740659424 VSYITZLLSBQSNC-HSZRJFAPSA-N 407.518 1.695 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnccc1OC 1740661287 XSQUYTAOSLWQNL-PXNSSMCTSA-N 409.490 1.917 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1740694363 HWBBAPLSICJCSC-UHFFFAOYSA-N 408.506 1.213 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)CCC)C1 1740716658 WFIYMZCVQHDWDF-SJORKVTESA-N 404.584 1.764 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740742896 FOCPTVGLALAEQS-UHFFFAOYSA-N 409.288 1.585 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740875682 HWLUWINYDSARNZ-IRXDYDNUSA-N 409.556 1.753 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1740877396 YHBPSMWVCFZKJL-CQSZACIVSA-N 401.558 1.130 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCN(C)C1 1740939097 QWCSBRHDZXWWBJ-IBGZPJMESA-N 406.918 1.699 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)C1 1740982125 SZDKMHUTLQNNPP-KRWDZBQOSA-N 422.493 1.198 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)n1 1742679902 XONQIZNFBZGUQB-SZNDQCEHSA-N 410.526 1.747 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1744695942 DBFPXUXKPCWXBJ-SJORKVTESA-N 423.512 1.373 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745095062 DNJJPELPCMMPLG-SGFLJFKBSA-N 421.509 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1748689420 CABCVIFHRXXJAU-MUGJNUQGSA-N 418.586 1.486 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(C)O)c1 1748692923 RZBXVMLFSVGBGB-KRWDZBQOSA-N 424.505 1.446 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)Cc1ccccc1 1748766778 XUYXBOSUGPAVRA-IAGOWNOFSA-N 418.567 1.478 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809589 OCFRCASMINONAX-AEFFLSMTSA-N 401.536 1.522 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748814898 LDLZNUYNZBAREP-QGZVFWFLSA-N 417.535 1.438 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(C)(C)O 1748843037 YPASOKTWQZLQCY-UHFFFAOYSA-N 418.501 1.909 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C 1749158275 FOPHMBURWCWQAF-INIZCTEOSA-N 411.572 1.745 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749189728 PFLLOHLVEQSAHX-KRWDZBQOSA-N 411.510 1.916 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749280337 IASUGHNKZFMVIE-AWEZNQCLSA-N 406.849 1.963 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2snnc2C)CC1 1749329845 TVWRFWRDQJUHTQ-GFCCVEGCSA-N 411.557 1.499 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1749406703 MJFMDCVRXFHNCA-UHFFFAOYSA-N 412.542 1.817 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC2(CCCCC2)C1 1749670950 YBYZLPLVEVGNQS-HNNXBMFYSA-N 418.567 1.788 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CC(OCC)C2)C1 1749714343 HUUQEPZILIJYNB-PGFLUOATSA-N 413.522 1.975 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1751983283 OXSJUCDOHUEUAJ-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1760144935 FDRCEKUDYFFEET-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1760177882 QKFGCELASLIFQO-UHFFFAOYSA-N 421.548 1.164 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1760294194 QGULOFFEVZEMJS-VBKZILBWSA-N 412.519 1.713 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760336285 WWHYETKHTBCMHL-WMZOPIPTSA-N 423.583 1.997 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760516576 QUPFNXRJZFHOHF-MBSDFSHPSA-N 422.533 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CCC(=O)NC 1760552724 YXDVQVZFFNHUOX-UHFFFAOYSA-N 409.487 1.257 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1760695860 BELWPFAVIAJLJA-HNNXBMFYSA-N 402.524 1.827 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1767133896 FXOHZOWURJWPCJ-UHFFFAOYSA-N 404.478 1.713 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1769148313 HJXLMBIJHVHHKD-KEYYUXOJSA-N 416.482 1.333 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1769322398 HMTPTFDSTHQKOF-UHFFFAOYSA-N 417.477 1.069 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)C1 1770727119 CCYLWYXIKPPBGH-CRAIPNDOSA-N 411.503 1.786 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@H]2CCCO2)CCO1 1770751781 NAUCVXQJVIIOTE-RTBURBONSA-N 412.494 1.578 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)OCCN2CCOCC2)[C@H]1c1ccc(C#N)cc1 1849428020 HCUWTMQFDSYAHV-UXHICEINSA-N 417.531 1.827 30 10 HDEE C[C@H]1CC(=NC(=O)COc2ccc(-n3cnnn3)cc2)NN1c1ccc(Cl)cn1 1851735442 ZFMHDSYSXXKNPJ-LBPRGKRZSA-N 412.841 1.818 30 10 HDEE CCN(CC)CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1851890865 VFIUTVOPASLQFW-UHFFFAOYSA-N 405.564 1.857 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 1853242068 XBNQJWWUSXEASK-CQSZACIVSA-N 416.956 1.972 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1=O 1853828433 LYJPJLQIBHFONH-RTBURBONSA-N 411.502 1.886 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(CCN2CCOCC2=O)C2(CCCCC2)C1=O 1854212573 BBANKIOSZMKSBB-SFHVURJKSA-N 405.539 1.821 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1=O 1854330830 QHNBNOVIFRJECN-RBUKOAKNSA-N 410.474 1.636 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@H]1C 1854331593 KETHJPKPBKTGOG-MJGOQNOKSA-N 419.547 1.784 30 10 HDEE CC(=O)N1CCC[C@@H]1CN1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCC2 1854511664 ZWFKEJWGNBDPGO-LJQANCHMSA-N 409.490 1.561 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCSc4ncccc43)CC2=O)CC1=O 1854921881 CIZWIHLSJIWMCS-GJZGRUSLSA-N 400.504 1.403 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CCCN(C4COC4)CC3)C2=O)cc1 1855833115 GJLSURJRWAJEML-NRFANRHFSA-N 410.518 1.415 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1856016055 NDOSSXZJWLVRTM-RBUKOAKNSA-N 416.566 1.489 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C(=O)C1 1856409815 XBFXJJALWFNCHY-ZDUSSCGKSA-N 404.417 1.400 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@@H]1CCN(C)C1=O 1857053909 XVSHULIZOGYDGG-SJLPKXTDSA-N 414.506 1.496 30 10 HDEE CN1CC2(CCN(C[C@@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)CC1=O 1857231149 RIPBPYGZWGNWPR-INIZCTEOSA-N 409.490 1.276 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)C1)[C@H]1CCN(C)C1=O 1857240854 YSWHLXHTNHVNEY-HOCLYGCPSA-N 409.477 1.906 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1857362610 YESUEOXEXWNQAC-GCJKJVERSA-N 414.481 1.368 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCCS3)C2)CC1 1857378345 TXINTGVWQBKAQE-WMZOPIPTSA-N 413.547 1.736 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cc1cncnc1 1857489399 DXTPPYSTMWEXFZ-UHFFFAOYSA-N 414.487 1.722 30 10 HDEE CCNS(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccccc2C#N)c(C)c1 1858022130 MBOTZDRKBXEYKD-UHFFFAOYSA-N 423.516 1.522 30 10 HDEE CCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccn(CC)c1=O 1861280743 WRRSNMGGDCYRPY-KRWDZBQOSA-N 406.527 1.709 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1F)N1C(=O)c2cccnc2C1=O 1866240909 ZQEDJBDFVGZFIC-NSHDSACASA-N 404.361 1.901 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCC(CO)CC3)ncnc21 1873593248 KTYXZAZORNVJDZ-UHFFFAOYSA-N 400.527 1.508 30 10 HDEE Cn1cccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 1874274635 UBFSEAMIHGEYCM-AHURVMIPSA-N 403.512 1.191 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccncc1 1874276984 HIUDKTDFCMMUOQ-MNUWJXFPSA-N 416.507 1.935 30 10 HDEE Cn1cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc2)cn1 1891738460 DYTORWKPUSPRIG-UHFFFAOYSA-N 424.486 1.981 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cccc(C#N)c2)CC1 1891950868 WOLTUHUDZGYSQR-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2010395871 FAFKKRGYMRZUJQ-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)O 2151772468 YXUNNPJTAVQHBR-ZDUSSCGKSA-N 401.416 1.344 30 10 HDEE CC1(C)OB(c2ccnc(N3CC(CNC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2243109489 CZLICYFLXRMSET-UHFFFAOYSA-N 403.185 1.635 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390613 YBQCEWINHYRKOK-QWHCGFSZSA-N 404.276 1.171 30 10 HDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CN(C(=O)OC(C)(C)C)C1 2247921844 WMBCIKBUSKWKHB-UHFFFAOYSA-N 418.303 1.467 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC2(C1)OCCO2 2255742548 CDKMYUJCPQQQSV-UHFFFAOYSA-N 415.342 1.493 30 10 HDEE C=CC[C@@]1(CN)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272172330 HLZOYYYLZNGRSI-UXHICEINSA-N 423.510 1.710 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC 2282309825 LFATZXTWIVGEAD-SNVBAGLBSA-N 423.749 1.931 30 10 HDEE C[C@H]1CN(C)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282330925 HGSHQPGRLTWRCQ-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CO[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339105 SARVFBRLKZWLBG-QWHCGFSZSA-N 403.331 1.130 30 10 HDEE CCN([C@H]1CCN(C)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282415679 KVEATKBSBLRKOJ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@]3(CCO3)C2)OC1(C)C 2282494811 CTCYXVDWORESTF-INIZCTEOSA-N 400.331 1.137 30 10 HDEE CCN(C[C@H](C)N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282495119 IADYQAHOUQCDLO-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE C[C@H]1CNC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499648 QYIFIUWKTOGURN-OCCSQVGLSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N=[S@@](C)(=O)CCN)ccc2Cl)OC1(C)C 2282871098 BIQWIIWHLUSCFN-VWLOTQADSA-N 422.765 1.384 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)Nc3snnc3C(=O)O)c2)OC1(C)C 2284405851 QCOXNLXUMYBHJS-UHFFFAOYSA-N 417.299 1.398 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)C#CC2(S(C)(=O)=O)CC2)C1 2342087418 CKOKTPVZEXGHFT-XLIONFOSSA-N 419.499 1.952 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@H]2COC[C@@H]2S(C)(=O)=O)OC1(C)C 2364908115 RJHDICDVBWVITF-STQMWFEESA-N 402.709 1.258 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365202883 GRCDQRMCZCZSKZ-OAHLLOKOSA-N 401.573 1.472 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367830050 FTXSZYSKLAKZIV-VCBZYWHSSA-N 400.541 1.292 30 10 HDEE C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCCC(=O)OCC)C2 14741446 UQGOCVKGMSIUHU-OAHLLOKOSA-N 406.552 1.658 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)ccc1Cl 109575356 HCGYQECDBIDNMN-CQSZACIVSA-N 417.965 1.851 30 10 HDEE O=C(COS(=O)(=O)c1ccc(Cl)c(Cl)c1)NCCCN1CCOCC1 243173038 JTHCEZCZGFAMLO-UHFFFAOYSA-N 411.307 1.537 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC(C)=O)[C@@H](CCC(C)(C)[C@H]1CO)OC3=O 257500150 OCELUFZNLBUKGF-MCRDERIDSA-N 406.475 1.402 30 10 HDEE Cc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)cc1 301340970 FPUPLNZKEMBEPH-FQEVSTJZSA-N 400.504 2.000 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409942656 OHRSBBSPPHBVDN-SMDDNHRTSA-N 417.267 1.703 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 433481709 WBSZERFUEQWXIA-UHFFFAOYSA-N 408.433 1.858 30 10 HDEE COC(=O)CC1(NCC(=O)Nc2ccc(C#N)c(Cl)c2)CCS(=O)(=O)CC1 439274566 KCIPFSNCXQSBJI-UHFFFAOYSA-N 413.883 1.250 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n1 440329892 VJYQZKMVZNCSKD-INIZCTEOSA-N 412.425 1.677 30 10 HDEE CN(C[C@H](O)CN1CCOCC1)c1c(C#N)cnc2c(Br)cccc12 440655134 VJSQNLUCQIOSTM-AWEZNQCLSA-N 405.296 1.998 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCNS(=O)(=O)c3ccc(F)cc3F)CC2)cc1 441412324 VXVCYKCYRIATKH-UHFFFAOYSA-N 405.426 1.963 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC2CCC(C#N)CC2)cc1 442974322 QWXRKSTWURHROW-JEYLPNPQSA-N 406.508 1.758 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)cn1 461286019 VUQBEFYRNIPGEB-UHFFFAOYSA-N 401.386 1.549 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 465194643 PXWSVHCCWWJPRG-DJIMGWMZSA-N 405.458 1.960 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)c3ccc(Br)cc3)CC2)c1C#N 472669054 IENFXMPRJNJZGS-UHFFFAOYSA-N 416.279 1.894 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cnn(CCO)c3-c3ccccc3)CC2)n1 476679127 XEVVOVHWEDCRKN-UHFFFAOYSA-N 402.458 1.771 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1=O 479240663 HJVVOPFPASLSER-OAQYLSRUSA-N 409.490 1.381 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)cc1C#N 489114456 SHVFNFOBSITBPX-OAHLLOKOSA-N 400.504 1.961 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1C#N 489625654 JWGFPSCYOOWBGX-UHFFFAOYSA-N 406.489 1.280 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cn1 501822324 GKAZYRPDULQJMO-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4C)CC3)C2=O)n(C)n1 506847540 ZJYXQFJONFYZNB-FQEVSTJZSA-N 420.517 1.862 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)[C@H]3CCCOC3)cc2C1=O 511672999 GDXVXLXZUJNEJB-YOEHRIQHSA-N 400.431 1.557 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C2CC2)nc(SC)c1C#N 518388657 YXKRPRWTBSPJIZ-OAHLLOKOSA-N 401.492 1.019 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)N2CCc3sccc3C2)CC1 522310308 KLZDOZBONJLVMP-INIZCTEOSA-N 405.568 1.124 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(Cc2nccn2C)CC1 531546683 WDGJMWABLAUOQD-INIZCTEOSA-N 408.510 1.031 30 10 HDEE N#CC1(c2ccc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)cc2)CC1 537479855 VYJIEDNDFDAQAS-UHFFFAOYSA-N 402.454 1.744 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)c1 543381191 FUICQUBFOBXLBN-GOSISDBHSA-N 405.462 1.375 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCCC1 544746687 UEGTUCRWMMJXEP-UHFFFAOYSA-N 411.549 1.548 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2OC)CC1 562321281 BCOBKTFRVCFQFJ-UHFFFAOYSA-N 403.435 1.324 30 10 HDEE CCn1nc(C)c(S(=O)(=O)NC2CCC(Oc3nccnc3C#N)CC2)c1C 585355316 CYMHDQROVAWDEP-UHFFFAOYSA-N 404.496 1.850 30 10 HDEE N#Cc1cccc(C(=O)[C@H]2CNCC[C@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 585837355 DZBTUHKNDXVBJT-ZWKOTPCHSA-N 423.385 1.965 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC(F)(c4ccccc4F)C3)n2)cc1 590279901 GARRTEDNJGPUOY-UHFFFAOYSA-N 422.395 1.983 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 670202040 XVGXTOGFGBTWPL-FQEVSTJZSA-N 418.586 1.937 30 10 HDEE CCC[C@H](C#N)N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 703998858 GJUMVTVWLSCCAG-MRXNPFEDSA-N 418.519 1.312 30 10 HDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1C#N 746784546 GCXGLNOEIRGKMB-KRWDZBQOSA-N 413.522 1.795 30 10 HDEE COc1ccc(CNC(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)cc1C#N 747446809 IKEGNIDXEQZIIW-LBPRGKRZSA-N 422.894 1.989 30 10 HDEE CCOC(Cn1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)nn1)OCC 749533207 JRKBTMFFXNEOKY-UHFFFAOYSA-N 412.494 1.948 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755556482 ZQFGZSGLUPURKV-IAQYHMDHSA-N 406.414 1.648 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(F)c3cccnc23)c(=O)n1C[C@@H]1CCCO1 759228224 UDWXCPASWGNCOB-HNNXBMFYSA-N 406.442 1.803 30 10 HDEE N#Cc1cccc(N2CCN(CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)n1 760913772 UBTRSHQYHRDIPI-UHFFFAOYSA-N 420.517 1.941 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2c2cnn(CC)c2)c1 763659934 JFCNJOYDTWAQBT-SFHVURJKSA-N 418.544 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 768004289 FAIROFYSUFIWMN-MGPWXQLLSA-N 422.482 1.045 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)cc1 771788160 IGCJRJUGEORLOH-GOSISDBHSA-N 416.503 1.162 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774194452 FRJTVGPSYGKIJS-RBUKOAKNSA-N 423.510 1.031 30 10 HDEE C#CCN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 774213166 NHIRABZNFTXOLO-QGZVFWFLSA-N 413.609 1.570 30 10 HDEE C#CCN(C(=O)N[C@@H](Cc1nccn1C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774236759 YQMPCHPPBZGUPB-MSOLQXFVSA-N 400.504 1.536 30 10 HDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 774403063 VRKJAPGWDIYQDR-UHFFFAOYSA-N 420.491 1.869 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)c2)CC1 780909748 UOXKXDYRCWPIAH-LJQANCHMSA-N 414.487 1.166 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780949944 PIRNMNBNNDBMJP-JOCHJYFZSA-N 408.502 1.881 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc2cccnc12 783942687 MHBYUEMPHYGTJN-SFHVURJKSA-N 402.479 1.972 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn1ccccc1=O 790684881 JJIUPPFMRCNBET-YWZLYKJASA-N 404.488 1.807 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NCC#CCN[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)C1 792880011 NODVUJSGPQXFCQ-FGYAAKKASA-N 422.570 1.903 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 797815507 SNMCBUBWZGPZRI-BMFZPTHFSA-N 406.556 1.701 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)n1cnc(C#N)n1 798389538 ZLMSGMYCPYQWNS-CYBMUJFWSA-N 408.384 1.954 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cnc(Cl)c(F)c3)CC2)o1 803828454 PAGFESOEUOQETK-UHFFFAOYSA-N 407.789 1.548 30 10 HDEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCNc2ccc(C#N)cn2)C1=O 804183973 HKHCSPULSLXWOC-LJQANCHMSA-N 413.459 1.236 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 812159000 OHLWNQMGWRSFPA-MRXNPFEDSA-N 420.514 1.973 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)c1 816928741 PMQIKEOUSVEYNP-UHFFFAOYSA-N 410.402 1.728 30 10 HDEE CCCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916876601 CEOPVTMOEXNJQV-HZPDHXFCSA-N 424.523 1.707 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NC3CCCCC3)n2N)cn1 1084300526 RDZIHJXFZCBVNI-UHFFFAOYSA-N 405.532 1.756 30 10 HDEE Cc1cc(C)c(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(C)c1 1084366704 ACYVSTORUCGVHU-UHFFFAOYSA-N 411.510 1.916 30 10 HDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)nn1 1124239705 WUYDELFGFHFOML-UHFFFAOYSA-N 405.480 1.436 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1124266997 ZFQPPMRRFNAUNH-MRXNPFEDSA-N 421.519 1.285 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)cc1 1125087863 QULGSTVGSNCXOS-AWEZNQCLSA-N 405.480 1.373 30 10 HDEE CO[C@@](C)(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1127911492 FHALDIRJMMMXGD-IERDGZPVSA-N 401.463 1.917 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1129338693 LCFZIDMKLBYAMD-IERDGZPVSA-N 416.478 1.959 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(-c3ccccc3C(F)(F)F)n2)C1=O 1130103116 UUQJCZLUEZSUIJ-UHFFFAOYSA-N 421.335 1.806 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)Cc2cccc(OCC#N)c2)C1=O 1132647145 FXZSMHRZJLYWOR-SFHVURJKSA-N 415.490 1.970 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1)C(C)C 1134183220 MBAIYOABGPNFKQ-UHFFFAOYSA-N 406.504 1.744 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCc1ccc(C#N)cc1)CCS2(=O)=O 1134859535 SLXHHKKVXZLYCF-OHTSDLOESA-N 404.488 1.506 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1141331506 JQNZFKGKAZHSKB-HNNXBMFYSA-N 415.556 1.661 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3cc(C#N)ccc32)c1 1142045493 CLNRXKBWNIFFJO-UHFFFAOYSA-N 412.471 1.128 30 10 HDEE Cc1ccc(C(=O)N[C@@](C)(CO)c2ccc(O)cc2)cc1S(=O)(=O)NCC#N 1143492226 NMFLMSHDRHSFAO-IBGZPJMESA-N 403.460 1.140 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1158287496 CPKIUXXYMQTGGM-GOSISDBHSA-N 424.519 1.460 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159490681 TVYALROMSKEFEN-UHFFFAOYSA-N 410.430 1.402 30 10 HDEE C[C@H](CC(=O)Nc1nc(CN(C)C)cs1)/N=C1/NS(=O)(=O)c2ccccc21 1161058892 DARSXKKQUHOFDT-LLVKDONJSA-N 407.521 1.661 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@H](C)C(=O)N(C)[C@@H](C)[C@H]3C)ccc2c1=O 1163827071 HYCMKUYTAQTQFF-YNEHKIRRSA-N 400.504 1.951 30 10 HDEE CC(C)(C)NC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1176344086 ADBIEEBOCAQDNU-SJORKVTESA-N 417.579 1.836 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1185140450 CCLFBTQZDRKOHV-UHFFFAOYSA-N 401.448 1.952 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 1194494322 ICSKVIKPWHKOMK-ZDUSSCGKSA-N 405.446 1.949 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 1197920634 FNOAHNLHDWKBIH-UHFFFAOYSA-N 420.535 1.499 30 10 HDEE C#CCN(C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2)[C@@H]1CCS(=O)(=O)C1 1206601130 NQUMFQBAIRRBIJ-VXGBXAGGSA-N 411.505 1.075 30 10 HDEE C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@H](C)C(=O)Nc1ncccc1O 1213424184 GMCRJWQCDCMOHY-RYUDHWBXSA-N 406.439 1.881 30 10 HDEE COC[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CCOCC1 1230887337 YIKSXHIQDZAWFO-QGZVFWFLSA-N 403.483 1.697 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1286277270 BXQAKPLGXLKPAH-KZNAEPCWSA-N 415.542 1.863 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1286359090 WEDLOUTWKXYPDZ-BRWVUGGUSA-N 403.527 1.561 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286374575 OHIJDKHZBVKZGK-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1OC 1286467674 SMNSEOBLANZNTL-ZACQAIPSSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2c(C)noc2C)CC1 1286480447 XBRCYBYGHWLMKX-PBHICJAKSA-N 411.510 1.393 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286490280 PKVCDRYUVWRAJV-XLIONFOSSA-N 422.533 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCOC2)CC1 1286495462 WQLHQAOSNWCRPO-FUHWJXTLSA-N 401.511 1.522 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286555476 KPQFEJOGLHULIG-XIRDDKMYSA-N 409.556 1.607 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1286598804 DODHVKQPTNJPIO-KNQAVFIVSA-N 418.586 1.723 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C 1286760178 KNLUDGVDTOGULD-MGPUTAFESA-N 417.535 1.988 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCCCC1 1286767911 KGWNCHCOSHJANR-UHFFFAOYSA-N 401.515 1.720 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCCC2)C1 1286780994 UITRDFOXRBRXIN-MRXNPFEDSA-N 407.515 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccco2)C1 1286820384 KRWYQRCVKNEZNK-NVXWUHKLSA-N 422.507 1.554 30 10 HDEE CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289437006 SRSXZYJXASUNMU-XAPVIXHLSA-N 415.559 1.931 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1290636017 GVCJPSLYOXGJRG-DLBZAZTESA-N 419.503 1.371 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nnc(C)s1 1292132864 DTCUEQDILZEORH-AWEZNQCLSA-N 418.527 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1300281244 IFDLYAVOTRSANV-QGZVFWFLSA-N 405.506 1.439 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300493804 WAROFBRKBDAUAT-KRWDZBQOSA-N 414.535 1.942 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1300602401 QLQPNQITOUGTAO-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(=O)(=O)CC)CC1 1300690694 PRVGQTMFHAYTPL-UHFFFAOYSA-N 421.954 1.788 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCS(=O)(=O)CC 1300895950 XMNUQMKCEUXVSF-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccco2)CC1 1301107091 BJTZTTIIQQDAHM-UHFFFAOYSA-N 400.483 1.842 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cncn1 1301390273 GQQSMPGSNHODML-UHFFFAOYSA-N 420.525 1.922 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1301411389 YHEJAMDAAMSTCW-HNNXBMFYSA-N 408.524 1.779 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301557851 RTGQRAPSKXGXRX-DLBZAZTESA-N 424.567 1.921 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1303901668 XLXIKZUQUADQMC-HNNXBMFYSA-N 416.507 1.685 30 10 HDEE CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1305844775 AQPYKOKEQBKHLS-ZIAGYGMSSA-N 404.496 1.423 30 10 HDEE CC(C)C(=O)N1CCCC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892801 MTSYFGKNDAOKJV-QGZVFWFLSA-N 401.463 1.928 30 10 HDEE N#Cc1ccc(N2CCN(CCOCCN3C(=O)c4ccccc4C3=O)CC2)cc1 1308011735 SJVWIGKACADRQN-UHFFFAOYSA-N 404.470 1.993 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCc2ccccc2C1 1314402405 AAUVYFCHLRSHDM-PXNSSMCTSA-N 410.522 1.990 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)cc3F)c2)NC(=O)NC1=O 1322013721 UALMRBQIMWBINT-GOSISDBHSA-N 402.407 1.230 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1326595257 GAYQBJIUQMSLIF-MSOLQXFVSA-N 403.479 1.791 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1358871211 AZMRHSNTUIUIAB-YESZJQIVSA-N 410.588 1.611 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1358981150 YKCKPACFRATAQG-UHFFFAOYSA-N 424.530 1.362 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)NC 1358997771 DTMKQEKMTINIDR-UHFFFAOYSA-N 419.482 1.008 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1359008885 CLLSGEYOFJFOKB-LJAQVGFWSA-N 415.567 1.680 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1359011629 FRHFLASPHXELEU-UHFFFAOYSA-N 419.411 1.655 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3cccnc23)CC1 1359028594 XMOIYCYVSDKAKM-UHFFFAOYSA-N 417.517 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cnccc2OC)CC1 1359046982 MWYIFWOMCZITRK-UHFFFAOYSA-N 408.506 1.648 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1359082998 ZPSBXLMPVGYUEZ-CHWSQXEVSA-N 414.304 1.380 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359091729 RFCLYLPJJXDMEL-AEFFLSMTSA-N 411.572 1.866 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1359128435 UHPMQFVQUGJMJG-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359157312 FSEJEWMQVXQMNT-MJBXVCDLSA-N 404.920 1.378 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359294119 KZMXEZIHECHPMS-FQEVSTJZSA-N 414.897 1.617 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2nc(C)no2)CC1 1359298015 JVVWEKIIVRPMIJ-UHFFFAOYSA-N 411.470 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359299042 SJNHLMSSASEQIS-HNNXBMFYSA-N 421.505 1.786 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccsc1 1359299271 ALUGBJDBJSMTOS-HUUCEWRRSA-N 400.508 1.934 30 10 HDEE N#Cc1c(NC(=O)c2cn(-c3ccc(Br)cc3)nn2)nc2n1CCOC2 1440044540 LBHDDXWZKFRRIG-UHFFFAOYSA-N 414.223 1.880 30 10 HDEE CC(C)(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCC[C@H](C(F)(F)F)N1 1443539724 XBHOJVQDHVZXOC-JAZJYCRLSA-N 402.417 1.728 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)Cc1ccc(C#N)nc1)CC2 1443775875 XJJYHZGLZYGCTQ-UHFFFAOYSA-N 422.485 1.994 30 10 HDEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)c3cccc(C#CCO)c3)CC2)CC1 1444570796 PXVSXGIYAYOUTC-UHFFFAOYSA-N 411.546 1.825 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1S[C@@H]1CCN(CCC(=O)OC)C1=O 1458874567 MCDGPPIVXVWIHQ-MRXNPFEDSA-N 421.567 1.749 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 1461979243 FHYFANSSJSEWFG-OAHLLOKOSA-N 420.425 1.437 30 10 HDEE C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463164554 SUQQILLVOFJRCS-MQIPJXDCSA-N 413.293 1.613 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nncn3C)C2)s1 1464096711 AIIHLFLWLUODNQ-CYBMUJFWSA-N 409.537 1.290 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1468144271 HLNYRBSYNUCHPG-AITUJVMLSA-N 408.520 1.394 30 10 HDEE C#C[C@@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCCO1 1469867015 AUKHBBUYMNIYAY-CVEARBPZSA-N 404.471 1.050 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(O)nc1=O 1471311576 DGFMFNYIKFOVEW-HNNXBMFYSA-N 412.450 1.333 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3C[C@@H]4CCC[C@H]4C3)CC2)cc1 1472444771 VIUIBGGDZKZVSM-ROUUACIJSA-N 402.520 1.722 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCCS(N)(=O)=O)CC1 1478726026 VUGYDEWPIXGKSX-UHFFFAOYSA-N 416.507 1.007 30 10 HDEE C#CCN(C(=O)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1479078925 JEVXCCGILVCVEF-MDNXKNQGSA-N 423.332 1.919 30 10 HDEE Cc1ccc(NC(=O)CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1492283142 FEQWPKOTUSZHQR-VXPUYCOJSA-N 423.477 1.496 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1494654098 DCQAMWFGSWVHDX-GIMINZRKSA-N 424.505 1.448 30 10 HDEE CO[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1504519257 WNMQQFZJRBWZHL-UCPXIFCCSA-N 414.510 1.618 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)c1 1505313689 DEDMHMQOLQJIQS-QZTJIDSGSA-N 410.478 1.324 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1507522287 UWYVRYCUUNYNRD-ZBFHGGJFSA-N 404.492 1.222 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507622860 MNANLBUGCRLRNW-GJZGRUSLSA-N 420.539 1.606 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1507630933 JQUZSRZMSOFKBI-ZDUSSCGKSA-N 424.324 1.809 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)nc1 1507642467 VGUOIKOSCHTERY-QHCPKHFHSA-N 422.533 1.901 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2noc(CC)n2)CC1 1507722803 JKMDXKWCPOPRRE-UHFFFAOYSA-N 416.489 1.760 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCNC(=O)C2CCC2)CC1 1507725712 ZNVUNDDKODNINI-UHFFFAOYSA-N 407.522 1.402 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507734319 UXEZNLXUFFWZPD-QVKFZJNVSA-N 403.527 1.081 30 10 HDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1507924579 PKCFNHXLDSKFCT-MSOLQXFVSA-N 408.506 1.868 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1508040822 BSSGNJKQPOLAJZ-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508108965 JXBFROAGSPJIMK-YESZJQIVSA-N 411.572 1.854 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCC(F)F 1516589618 JVTFGMSVESYOEF-UHFFFAOYSA-N 421.452 1.690 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1518630606 FJDFYAKCNSQADS-IPMKNSEASA-N 424.505 1.789 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)OC 1518730234 CSKKLXCMPCHIIV-QGZVFWFLSA-N 403.508 1.943 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1518744627 CDMLNUJLSCJRTC-DOTOQJQBSA-N 400.458 1.893 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1519427999 AZUUYGQGBPAVGH-FTRWYGJKSA-N 402.499 1.220 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1520271852 PUHATHJNHNATEO-UHFFFAOYSA-N 407.460 1.479 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCn1nc(O)c2ccccc2c1=O 1526783692 FWAONEQPROUECR-UHFFFAOYSA-N 415.413 1.892 30 10 HDEE CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)c3cnn(CCC#N)c3C)c2)n1 1531086897 CSQYSORKKBFQRR-UHFFFAOYSA-N 407.434 1.997 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)COCCNC(=O)c1ccccc1 1531526595 DDCVUSGDSZZDRQ-UHFFFAOYSA-N 404.430 1.583 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1538228896 XFBCSMWCXLOAIU-CQSZACIVSA-N 413.462 1.272 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(OCCOC)CCOCC1 1538963769 TWURSNWHRPHTAN-QGZVFWFLSA-N 419.526 1.184 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1 1539372314 UUGBLOJVHDTSQZ-UHFFFAOYSA-N 411.506 1.586 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCCO)CC1 1539436418 RKGLBIMFFKFWBT-UHFFFAOYSA-N 403.914 1.753 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1539636507 KZOJYERTKRPCSX-ZWOKBUDYSA-N 410.522 1.947 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)cc1 1539971235 ZLHRTCQKNCMRJJ-NRFANRHFSA-N 424.461 1.924 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539999117 XIPNEMQQVVIREH-STQMWFEESA-N 414.432 1.700 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540195959 LEAKLXQPSZCKFW-OAHLLOKOSA-N 408.528 1.194 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cnc2ccccc21 1540199121 WCWZRETYDWMPND-QGZVFWFLSA-N 409.494 1.918 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](OCC)C1 1540866862 CNKFTCPDPZHHIH-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)NC1CC1 1541111741 BJSPHTGFCVWUMH-CYBMUJFWSA-N 413.482 1.660 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nncn2C)cc1 1542513167 FFWFVKIWOZTBNQ-HNNXBMFYSA-N 410.507 1.784 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(OC)cccc2OC(F)(F)F)CC1 1542894683 HVYYILNCGUGOET-UHFFFAOYSA-N 413.396 1.491 30 10 HDEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1547335803 GRMYLRUVUVSNIJ-INIZCTEOSA-N 418.523 1.466 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC(=O)N2)C1 1555985658 SXPVADCXDZXARG-BLVKFPJESA-N 404.396 1.868 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)cc1 1555989923 UTKKBBUWJXDFFH-FQEVSTJZSA-N 421.505 1.658 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(=O)c2ccccc2[nH]1 1558039511 IREYULAVUQQONJ-CYBMUJFWSA-N 410.455 1.383 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O 1559457116 BBYWBCBJJJAFEM-UHFFFAOYSA-N 422.363 1.811 30 10 HDEE C#CC[C@H]1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1560136041 ITXJKVMDOMKXKY-MOPGFXCFSA-N 403.548 1.562 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)C1CCOCC1 1561770763 NALFMTKSXZOSON-GOSISDBHSA-N 415.533 1.207 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)cc21 1563315456 LGEQDFQTMPRTMW-QGZVFWFLSA-N 421.523 1.832 30 10 HDEE C=CCn1cc(CNC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)nn1 1564958273 KXKBPEIGOVAEHT-UHFFFAOYSA-N 407.519 1.158 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1 1564997293 HLAXJUDJOSQOPS-XLIONFOSSA-N 405.882 1.674 30 10 HDEE CC1(C(=O)N(CCO)CCOCCO)CCN(c2ccc(Cl)cc2C#N)CC1 1586009640 HMZCXOXCROHCDJ-UHFFFAOYSA-N 409.914 1.648 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588034495 HFAZMFOBCSRWOB-WMZOPIPTSA-N 407.584 1.724 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588053656 GTARIZMDJYSIKS-GJZGRUSLSA-N 414.478 1.597 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[S@@](=O)CC 1588094210 UVYOOGZOABJKGD-VWLOTQADSA-N 422.352 1.888 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCn1cncn1 1588245751 PXPKJAFCUPIVSP-UHFFFAOYSA-N 403.490 1.827 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1588265618 FKNLOAMIYRTVLF-MRXNPFEDSA-N 424.571 1.141 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1594491768 KHXCXJKFVLGQHL-HNNXBMFYSA-N 409.556 1.845 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1594627757 XAWYXBMJLQHEMX-IAGOWNOFSA-N 411.572 1.904 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCS(=O)(=O)CC1 1595490350 QFVNFBFBDNRSFN-UHFFFAOYSA-N 409.899 1.136 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OC)C(F)(F)F)C1 1595714486 OEHJVCRQUWRTJX-RDBSUJKOSA-N 417.432 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1595812697 ZDPAWNAFANKYNI-UHFFFAOYSA-N 423.583 1.715 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1595993722 UZAOPJUMKNDMAF-SJORKVTESA-N 412.494 1.990 30 10 HDEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(C)(=O)=O 1602821841 GUMHVUXKEHDFAT-UHFFFAOYSA-N 420.514 1.783 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccn(C)n1 1602851164 UDTUYYLZQVLVHS-UHFFFAOYSA-N 405.510 1.971 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1603674587 YMYZIRHITXIZIN-JOCHJYFZSA-N 422.537 1.548 30 10 HDEE C#CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1618091384 UKXRCCIZAPEWOF-QLFBSQMISA-N 416.565 1.139 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1620052062 CPNFIAHMGROURI-IBGZPJMESA-N 424.505 1.585 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)C1 1620345837 LKGICAVQCIAJJW-HNAYVOBHSA-N 406.462 1.152 30 10 HDEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1622945828 LTSUVALHPWJGMX-INIZCTEOSA-N 412.439 1.306 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C1=O 1623369095 AKSBLQIHNGTDEA-HUUCEWRRSA-N 409.512 1.110 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)/C=C\C(=O)c2ccc(C)cc2)cc1 1624837838 GQXLKDXOZHFOAE-QXMHVHEDSA-N 416.499 1.975 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C#N)cn1CC 1625717804 CQZPKQCJYGJLSL-ZDUSSCGKSA-N 410.496 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1632880763 ZDLUSBJLWIAWRS-MXOVHSSBSA-N 422.482 1.091 30 10 HDEE C#CC[C@@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1633352954 WWSBUUWOVWJAPL-MRXNPFEDSA-N 423.477 1.227 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(Nc4nn[nH]n4)c3)C2=O)cc1 1633898120 SFALYZWFMIPDFH-QGZVFWFLSA-N 402.418 1.740 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(NS(=O)(=O)NC)cc3)cc2C1=O 1634237082 JGRGOIYJDSIVSZ-UHFFFAOYSA-N 414.443 1.597 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1636699547 NXZPWLDABMRBGG-PGRDOPGGSA-N 421.497 1.943 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C#N 1638398422 VIQWTBFTSPBIJP-QGZVFWFLSA-N 401.536 1.728 30 10 HDEE Cn1c(Sc2ncc(Br)cc2C#N)nnc1[C@H]1CCS(=O)(=O)C1 1639213352 HLGHTHGHKIHXHK-QMMMGPOBSA-N 414.310 1.898 30 10 HDEE C=CCN(C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H](C)COC 1641334434 ITCYFTSTWXAENO-DOJUMQAQSA-N 401.507 1.950 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1643167331 PEGTVLITMJJEGO-QGZVFWFLSA-N 412.471 1.785 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OCC 1644563525 JFSYFYWUIWMKPA-HOTGVXAUSA-N 402.447 1.825 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C)s1 1646208176 CEGHZYDBWQDBAX-CHWSQXEVSA-N 400.522 1.555 30 10 HDEE CCOCn1nc(C)c(C[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1646439308 APIHLBKPSYBYQU-AXHNFQJDSA-N 408.524 1.069 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nn1nnc2c1CCCC2 1646509256 SURZVLNCPUBBFM-HNNXBMFYSA-N 416.507 1.525 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC(C)(c3nnc(-c4cccnc4)o3)C2)CC1 1647821895 LDDOZHVBGOSFLD-SFHVURJKSA-N 423.521 1.397 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1648119287 SSAWHBLNNIYXQS-UONOGXRCSA-N 419.551 1.703 30 10 HDEE C#CCN(Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)C(C)(C)C 1648370202 PVQWKRGMPUWLMG-UHFFFAOYSA-N 405.476 1.720 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H]([C@@H]2CCOC2)C1 1648563590 ZNDZFPQLSBNKCR-JKSUJKDBSA-N 405.520 1.780 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Br)cc1[N+](=O)[O-] 1651040575 QPJCYHQUMHLONI-NXVVXOECSA-N 423.223 1.890 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1652805547 ZGFNGBDYHJCLEQ-FQEVSTJZSA-N 416.566 1.820 30 10 HDEE O=C(c1cnnn1-c1cccc(F)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811467 FQMARLPQRUWNKD-UHFFFAOYSA-N 409.377 1.924 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1662023893 LAFDYZBBDFXAQG-OAHLLOKOSA-N 404.529 1.772 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1665499213 GBJLLILYNKTIDE-GFCCVEGCSA-N 410.439 1.561 30 10 HDEE CC(C)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](O)C(F)(F)F 1681225939 AAQRIXKGIXTSLR-RNJOBUHISA-N 408.421 1.992 30 10 HDEE CC(C)(C)OC(=O)C(C)(C)CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1683331587 BGWZSCMJCLEWDR-UHFFFAOYSA-N 405.455 1.145 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1683371768 GJPYZPLNRLDUNN-UHFFFAOYSA-N 421.501 1.632 30 10 HDEE CC1(C)CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1 1684975510 JPTKCXZMJOFGIG-KRWDZBQOSA-N 420.535 1.779 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCCCCCNC(=O)CC2)C1 1686056410 XCVFXFYKVQTRJO-CVEARBPZSA-N 407.515 1.837 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)CC1 1686572280 VNRMUWMHWHMCLF-UHFFFAOYSA-N 410.869 1.724 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1689826373 MVZMREAHLAHVTM-CHWSQXEVSA-N 409.487 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689851475 RHVACPQDQMRUAA-RBUKOAKNSA-N 422.533 1.589 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1689867316 RNRMGSOFEDRJQQ-ZHALLVOQSA-N 417.554 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1CCN(C(C)=O)CC1 1690022435 FGDPOHKFBGWQNG-UHFFFAOYSA-N 410.547 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1690046979 JHGJESCZDKAMBY-ROUUACIJSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690052648 NPOUOISYXGKCIF-REWPJTCUSA-N 422.533 1.941 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(=O)N(C)C2CCCCC2)CC1 1690138372 ZWLBABLXULXJFR-UHFFFAOYSA-N 400.527 1.343 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690397012 SKEHVGDCOBSJKH-USXIJHARSA-N 411.572 1.842 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1690418964 CPLPHBWJEXKPDJ-UHFFFAOYSA-N 424.571 1.198 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1690516227 BTAWXMIDVRMDGQ-UHFFFAOYSA-N 419.555 1.647 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690522684 KQFBTCDFASFFAN-RDJZCZTQSA-N 419.555 1.505 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1COCCO1 1698129858 PAGBSCURWQPNBO-SJORKVTESA-N 407.515 1.938 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705560048 HZARAFMMLXJLJH-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705565755 VXRXRHWLNZNIOC-QGZVFWFLSA-N 415.519 1.272 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1705604056 DMWFFAZIKQOQLK-OAHLLOKOSA-N 408.572 1.222 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCCC2)CC1 1705639834 XLRBGBDFPLSOMI-IBGZPJMESA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cc(F)ccc2N2CCOCC2)CC1 1705640385 PJGRLZPOQJZGJJ-UHFFFAOYSA-N 412.513 1.620 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1705699283 DZZSEAOCMFKUIL-OWSLCNJRSA-N 419.526 1.452 30 10 HDEE C=CCN(C)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705839624 HXADTUATQMWDKK-UHFFFAOYSA-N 407.478 1.169 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1C(C)(C)C 1705909262 RPNQZSPWWNYYRS-UHFFFAOYSA-N 401.490 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C2CC2)C1 1705925860 VKDCNEMWVCMRBB-ZACQAIPSSA-N 410.540 1.387 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)cs1 1707742460 DCANVKCHZNQHSW-CYBMUJFWSA-N 403.512 1.231 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1710986262 AIVAZVKMDRPUCP-MSOLQXFVSA-N 410.478 1.289 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1712699882 LMIRKHFVISMEBX-CYBMUJFWSA-N 410.887 1.157 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCCCO)c1 1712878062 CXPMPRMGVFGHGX-UHFFFAOYSA-N 423.521 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1722274896 AVLAWLCWGDHTDS-KKSFZXQISA-N 415.494 1.800 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722304856 AHHVUTLPKUFNQE-MDMHHNQBSA-N 419.570 1.959 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCS2)CC1 1722433438 VMUOMPQWKIMJMP-FXAWDEMLSA-N 405.568 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)C(C)C)CC1 1722445310 PFTHMYSCLRWCNH-QFIPXVFZSA-N 412.538 1.656 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1722471966 XTRYFLIQBVUUKM-JOCHJYFZSA-N 419.489 1.272 30 10 HDEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1722539072 FQBCYUXOHZZLIW-YJBOKZPZSA-N 408.506 1.652 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)CC1 1722583893 WFZVLQPMYCWGNW-HNNXBMFYSA-N 416.569 1.017 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1722608659 JMPVHVYJXVMYPO-LBPRGKRZSA-N 415.951 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC2(CCC2)C1 1722728872 BMVROEIYSUCOPO-UHFFFAOYSA-N 417.535 1.624 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1726418652 APBQFOTYUVVKJH-SCRDCRAPSA-N 423.543 1.893 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@H]2CCOC2)cn1 1729569119 KCBQUEMZAHRELJ-BEFAXECRSA-N 403.462 1.564 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCOCC(F)(F)C(F)F)CCO1 1731190981 WUNVEGSVGLKRGB-NSHDSACASA-N 415.351 1.381 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(NC(C)=O)CCCCC1 1736563982 CPBJKYREKXDOTC-QQXKLLMISA-N 403.523 1.665 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1740531511 NCRUAFNXAHIZLW-SFHVURJKSA-N 424.553 1.411 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1740610143 ZOXYHTLEUHIMQW-SFHVURJKSA-N 408.506 1.829 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](C(C)C)N1CCOCC1 1740685506 NSYAOQNDYFPRNS-VQTJNVASSA-N 419.570 1.615 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc3c(c2)OCO3)n1 1740687643 ICEXKHDOVBMGHA-UHFFFAOYSA-N 408.462 1.846 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCCCC2)CC1 1740688749 IOOMBXMUIFRULR-UHFFFAOYSA-N 414.554 1.619 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740716241 OLMNJMCGJIOEBT-FTRWYGJKSA-N 419.551 1.370 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC)C1CC1 1740910171 KXQLLGPHYWCODT-ZFWWWQNUSA-N 415.585 1.517 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)CC 1740959546 ZFMFXLDIBQOZHD-HNNXBMFYSA-N 423.521 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740986288 VMYAUKUTPHRFFK-MRXNPFEDSA-N 408.528 1.104 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCCC1 1742835081 BYZTZEWKHXPFMB-DLBZAZTESA-N 409.542 1.695 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1742905958 FEDDPBHSFFUDJQ-OAHLLOKOSA-N 421.505 1.542 30 10 HDEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1746409445 DSTMSRKJEGBVPY-AZUAARDMSA-N 421.505 1.942 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1746512769 ZZTXISRYAXATSR-ZWKOTPCHSA-N 411.485 1.605 30 10 HDEE CCOCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1747238377 AREKEHNXPPYXGG-NERIXLHVSA-N 420.539 1.671 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1748789738 BJMKKLYSTCXZGB-KRWDZBQOSA-N 402.520 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748830280 SWLNUILSVOCWRJ-FGZHOGPDSA-N 411.506 1.014 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1748926308 SRAYWMUSFLQJLP-INIZCTEOSA-N 418.519 1.705 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1749135884 JEJWEDJJKQMNNA-YWZLYKJASA-N 415.469 1.914 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1749285387 IBMJZIQUYIVMJE-HOTGVXAUSA-N 419.917 1.871 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1749550986 OBCLUKZSMAIYKY-HNNXBMFYSA-N 402.524 1.962 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1749671849 LBVBTZVWUFJWOR-UHFFFAOYSA-N 424.549 1.984 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCN(C)CC1 1750260553 FXCWXNDHWKZYIA-KDOFPFPSSA-N 421.546 1.499 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1750580569 GLYDSZIKVYYWTJ-ZYSHUDEJSA-N 409.556 1.717 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760146166 DXNBRGHKLLOBHJ-GHTZIAJQSA-N 405.543 1.717 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1760163273 QHNOOZROBROLBL-MRXNPFEDSA-N 416.551 1.411 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1760173507 XMPJSFQIZLOAHY-INIZCTEOSA-N 404.492 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN1CCN(CC)CC1 1760216991 KLRDYUVJWLKSQV-UHFFFAOYSA-N 405.550 1.831 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1760219715 LNICNJIUSCOHDM-RTBURBONSA-N 424.526 1.647 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1760227313 BJQZDSXMZLUYBU-FBPXKMNZSA-N 406.527 1.708 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760436200 LUUHDRNJDYSVCD-XLIONFOSSA-N 424.553 1.690 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](OCC(C)C)C1 1760555543 HVLCXOPWERENOM-SJORKVTESA-N 412.556 1.634 30 10 HDEE CC(C)CN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1=O 1761124882 VXPWAUZHJKANHK-MRXNPFEDSA-N 412.494 1.990 30 10 HDEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761313516 DQQVWIYGTVCSAC-SJORKVTESA-N 401.515 1.221 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1763925913 SPXOPMIRPQPAOY-OLMNPRSZSA-N 410.478 1.683 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1764679972 CQFNMWIMEBITNH-GOSISDBHSA-N 409.494 1.400 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1 1766705349 BGNCLCCHBPHBGH-RHSMWYFYSA-N 414.507 1.243 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1767059065 RLAKASNNAGKWPY-XSLAGTTESA-N 404.515 1.215 30 10 HDEE COC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1767980577 XQSLOTUVEYQALR-KRWDZBQOSA-N 411.510 1.800 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCC(COc3ncccc3C#N)CC1)CC2 1850738601 CUDDUKUMOHZFDT-MRXNPFEDSA-N 407.474 1.469 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCC#CCN3CCOCC3)cc2)c1C(F)(F)F 1851352145 XJSUHQFGFXCNJN-UHFFFAOYSA-N 417.391 1.828 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1 1852569011 SSLXEJFINWNAIC-UHFFFAOYSA-N 406.490 1.682 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(c4ncccn4)CC3)CCC2=O)c1 1853801331 TZYZPTHYJDHBSW-GOSISDBHSA-N 404.474 1.549 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1=O 1854282442 IRWXSNKWABDORS-RBUKOAKNSA-N 409.490 1.273 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@H]1C 1854735351 GXCXXVXHMVGOSK-ZIAGYGMSSA-N 402.520 1.404 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3nc4ccccc4o3)C(=O)C2)C1 1854950040 NWCAGTFREYJBSO-SJORKVTESA-N 409.490 1.808 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4cccnc4n3)C(=O)C2)C1 1855046778 PDOGASSXIBWHOR-WMZOPIPTSA-N 406.490 1.681 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCC1=O 1855138405 PMWJSWICEMKWQO-AWEZNQCLSA-N 409.412 1.901 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](C3CCN(CC(=O)N4CCCC4)CC3)CC2=O)ccn1 1855139011 HWMAZVRZAYOTSX-SFHVURJKSA-N 409.490 1.276 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1 1855449120 KUNIWBAZNZOPSX-QGZVFWFLSA-N 405.520 1.633 30 10 HDEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)CC1=O 1856198223 GUHCLBKCWCBVSG-GJZGRUSLSA-N 402.882 1.974 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235254 DSJFTKPLMNHDRK-NVXWUHKLSA-N 416.501 1.618 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)C2CC3(CCOCC3)C2)C1=O 1856725247 KEVMRJBODSBMMO-MSOLQXFVSA-N 403.523 1.430 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1856876866 IMGPMPGCHSHPKS-OAHLLOKOSA-N 419.503 1.531 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1856974108 BENFPSKTMALBDF-KRWDZBQOSA-N 409.446 1.782 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)COc2ccc(OC)nc2OC)C1 1857002494 ONJWPCAQPCOQDV-JKSUJKDBSA-N 403.479 1.893 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn(C(F)F)c2)C1)[C@@H]1CCN(C)C1=O 1857050550 LTHMWQIYQFZFMC-DZGCQCFKSA-N 409.437 1.376 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)CC1 1857069010 SWGISSLBFKWPQH-ZIAGYGMSSA-N 413.375 1.493 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCCC[C@H](N2CCC(CC#N)CC2)C1=O 1857192669 OXAFVPYTUWAPSC-ZWKOTPCHSA-N 424.567 1.334 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCCO3)C2)CC1 1857384414 LYBOLQORZUPURQ-MJGOQNOKSA-N 411.506 1.410 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487783 DTMJNVGRVYAVEL-QUCCMNQESA-N 414.554 1.724 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858316965 NGTJAHPNDVPNEG-QGZVFWFLSA-N 419.528 1.917 30 10 HDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN1CC(O)C1 1870328972 XCWGWYVCQKAEEM-UHFFFAOYSA-N 414.458 1.212 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)CC1 1872908470 UDBOSDCXMMPCPE-KRWDZBQOSA-N 412.490 1.539 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2cc(OC)ccc2OC)CC1=O 1872981548 IHNOJVVSSNDBNN-LHSJRXKWSA-N 410.474 1.936 30 10 HDEE CC(C)N1C[C@H](c2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)CC1=O 1874564535 IXOFYQXXTRCXEJ-VQGSWFTOSA-N 409.493 1.420 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@H](CCS)C(=O)O 1885475695 JOKPXNFBJRKFCY-CABCVRRESA-N 412.508 1.986 30 10 HDEE CN(C[C@@H](O)COCc1ccccc1)c1ncc(Br)cc1C(N)=NO 1916365621 ZMMUWSYOQARVFC-CQSZACIVSA-N 409.284 1.953 30 10 HDEE C=C(Br)CS(=O)(=O)NCc1c(I)cnn1C 1988520420 REYWWDRQSZVJDV-UHFFFAOYSA-N 420.070 1.353 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2054404780 HLCXYVLVPWTNDH-KRWDZBQOSA-N 406.508 1.667 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#N)ncn1 2066550873 MBSYLDBSABKVGX-KRWDZBQOSA-N 403.395 1.114 30 10 HDEE COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@H](CS)C(=O)O 2143408963 QEKISELQVKFOOR-SSDOTTSWSA-N 404.691 1.772 30 10 HDEE CON(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174783069 XWAMRGQITLKDQG-AWEZNQCLSA-N 402.517 1.730 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)CC2(C#N)CCOCC2)CN1C(=O)OC(C)(C)C 2174785525 ZXHDDDTVCDLDTG-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2174790065 YDZIIXWWSMIYSD-QDXKXIGTSA-N 414.509 1.749 30 10 HDEE CCOC(=O)NS(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2241208963 SWNITIBWIIYQGY-UHFFFAOYSA-N 405.669 1.437 30 10 HDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243379346 IMMKEXLGVOMCSA-UHFFFAOYSA-N 409.336 1.536 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243394654 KTXOOJLDGRLCGA-KBPBESRZSA-N 410.320 1.814 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247821210 WVFZNUKWQIBHML-OLZOCXBDSA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2247826496 VDSAWXPQYUDFPG-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE C[C@@H](CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247833279 DGHUFQXYBVZSJI-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249998097 DARXTYXNNOGDKY-INIZCTEOSA-N 423.363 1.973 30 10 HDEE Cn1ncc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1B1OC(C)(C)C(C)(C)O1 2255822022 JCLMXFXBOKJWOK-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE CC(C)CN(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181388 MZJKGKYJEGQZKP-MRXNPFEDSA-N 411.480 1.567 30 10 HDEE CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281966146 NNNDTCMYKYIMSI-WDEREUQCSA-N 401.721 1.923 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N)C[C@H]1C 2282321013 QNDAHIGDLLTXJF-YPMHNXCESA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2CCC[C@@H]2O)OC1(C)C 2282488058 AGHUUZVQCPWCGD-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CC(CN)C3)c(Cl)c2)OC1(C)C 2282495104 HSNJSFIAQZRSCO-UHFFFAOYSA-N 400.737 1.655 30 10 HDEE CN([C@H]1CCC[C@@H](N)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498771 JGKFNPSHZUWKDB-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE C[C@@H]1C[C@@H](N)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282501479 XOPFDASYTCCGCD-TZMCWYRMSA-N 400.375 1.546 30 10 HDEE CC1(N)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282501782 BRKZTDRUBNHQSX-UHFFFAOYSA-N 401.363 1.085 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CC1(C)OCCO1 2282601592 GSCFQSKESYCYHO-AWEZNQCLSA-N 407.320 1.721 30 10 HDEE C[C@@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@](C)=O 2282607237 VPHZKWXGASHHTE-LJZMDLFKSA-N 400.737 1.921 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC(C)(C)[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282828855 VYFQUYJUKDNPGH-WCQYABFASA-N 401.359 1.793 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@@H](O)C1 2282829209 BICIPQQFMUJUCZ-QWHCGFSZSA-N 401.359 1.938 30 10 HDEE CC1(C)CCNCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853573 FRFWCWNZJGYDLK-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CSC(C)(C)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870732 WXDFBAHXVMTKEH-UHFFFAOYSA-N 403.379 1.448 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284406022 SPTGIZBXWAZVTJ-LBPRGKRZSA-N 401.315 1.531 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](C(=O)O)C1 2284408923 CGOIILQQPJYMOQ-PHIMTYICSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CC[C@H]2C(=O)O)OC1(C)C 2284412897 YLODXRQQJZBFGT-WDEREUQCSA-N 401.315 1.436 30 10 HDEE C#CCOCCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316809998 VFLKMMUMIAMUHD-UHFFFAOYSA-N 406.504 1.802 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccncc1 2330718545 CNRVRYJWCWVAOA-UHFFFAOYSA-N 409.475 1.922 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@@H](O)c1cn(C)nc1I 2363683930 GJSMELBLCIAZFQ-PWSUYJOCSA-N 402.261 1.463 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2365196426 LYUDOSVZJZXJJT-NIKGAXFTSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2365206869 JVKPJGIQCVDHOG-CABCVRRESA-N 404.573 1.703 30 10 HDEE Cn1cc(C#C[C@H](N)[C@@H](O)c2c(Br)cncc2Br)cn1 2366118171 JDDZZDVFONQZCY-WCQYABFASA-N 400.074 1.753 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCCN1C(=O)OC(C)(C)C 2367790913 ICHZIKVNCMXDSR-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797171 UEIFXBJLWFNDGR-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@](C)(COC)NC(=O)OC(C)(C)C 2367807754 WSSMZRQQUHDMDO-MAUKXSAKSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367810397 XGTQYVHBAKIIQY-KFWWJZLASA-N 400.541 1.291 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(CNC(=O)OC(C)(C)C)C1 2378915416 JXBGITMXJFRRSM-FVRSWCFKSA-N 402.513 1.420 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NC1CCCC1)[C@H]1CCS(=O)(=O)C1 111046152 KQEYRNVFGXPLTB-KRWDZBQOSA-N 417.531 1.420 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1 238843513 HZPXPTBQLYVBRO-MAUKXSAKSA-N 421.457 1.780 30 10 HDEE C#CCn1c(=NC(=O)c2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21 254570629 JKXBKTNKZROMHA-UHFFFAOYSA-N 401.469 1.733 30 10 HDEE C=CC[C@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 410065235 KUKDAXJAFHBPEV-IUODEOHRSA-N 411.296 1.970 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 432213825 GIZBNEJCBYZDQY-QAPCUYQASA-N 416.565 1.880 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 446503384 AZAZYOLRRAFSBM-CGZBRXJRSA-N 421.523 1.366 30 10 HDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 462089742 ICSMOOGDVOGJDU-QGZVFWFLSA-N 402.455 1.405 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 465469572 KWBVRNLAYPXSFG-CRAIPNDOSA-N 424.530 1.681 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 478744141 HLABAJICEVNHDD-ZBFHGGJFSA-N 414.483 1.181 30 10 HDEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478848261 OWFIXASKHSKQAS-AWEZNQCLSA-N 413.499 1.141 30 10 HDEE N#CC(C(=O)N1CCOCC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccsc1 479393804 FBUYULJDCRCENC-UHFFFAOYSA-N 423.519 1.322 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2csc3nccn23)CC1 479832083 SMEKQPILFLVBJO-UHFFFAOYSA-N 415.500 1.343 30 10 HDEE N#Cc1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)c(Br)c1 480715776 JOCLLQOGBKRVCO-UHFFFAOYSA-N 407.312 1.297 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 487098733 SNSKMHFJDPVKPS-KGLIPLIRSA-N 410.430 1.932 30 10 HDEE CCc1c(C(=O)Nc2cc(C#N)cn2C(C)(C)C)cnc2c1c(=O)n(C)c(=O)n2C 513951886 PDBPWTVHTPQPBE-UHFFFAOYSA-N 408.462 1.875 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1 525258754 OZLCSVSICQDJIY-UHFFFAOYSA-N 408.458 1.909 30 10 HDEE C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 540404639 RPYCTZIYPIKTPL-OAHLLOKOSA-N 421.544 1.933 30 10 HDEE COCCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 545477124 ZDPQFAZEOMZENN-UHFFFAOYSA-N 416.503 1.798 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2ccnc(OC(F)F)c2)cc1 551752973 GEMJFCWJPFJZSL-UHFFFAOYSA-N 404.373 1.854 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 559011110 PTAVDDDDRPKKLR-IRXDYDNUSA-N 409.556 1.980 30 10 HDEE COc1cccc(OCC(=O)OCCN2CCN(C(=O)c3cccc(C#N)c3)CC2)c1 586385754 SMPRBDQQUGBFSW-UHFFFAOYSA-N 423.469 1.947 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(OC[C@@H]3CCCCO3)CC2)c(F)c1 586859959 NSNZZKHQYDFWPP-SFHVURJKSA-N 403.454 1.890 30 10 HDEE N#Cc1ccc(C(=O)NC[C@H](Cc2ccccc2)NC(=O)c2ccc(C#N)nc2)cn1 609660670 GFFDDDGXUDOMMP-NRFANRHFSA-N 410.437 1.991 30 10 HDEE CN1C(=O)C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(F)c1 611104095 NLJUMRBSVFMRKO-HIFRSBDPSA-N 405.817 1.132 30 10 HDEE C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1F 611501404 BKWMZDHPSXBCGL-NVXWUHKLSA-N 408.499 1.071 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619742873 ZOBGISLFSCPVIJ-INIZCTEOSA-N 411.466 1.616 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 670220358 XKKZJGWSCCCPBH-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3sccc3C#N)ncnc1-2 729460853 IAZWGOCQMKHFCV-UHFFFAOYSA-N 406.269 1.274 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732696268 AYTSLJWXEDZRSD-MRXNPFEDSA-N 405.524 1.967 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccccc3Cl)c2C)CC1 733149266 CCKSQOHLVHWRFN-UHFFFAOYSA-N 413.909 1.731 30 10 HDEE CC(C)OCc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737305637 IFGWGWFVKCHHSW-ZCXUNETKSA-N 400.435 1.193 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCC[C@H]1O 740849977 WRCWSMKJHQHAFA-DOTOQJQBSA-N 407.536 1.953 30 10 HDEE CN1C(=O)N(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)C(=O)C12CCCCC2 746547706 JBXCJAATVINNKV-UHFFFAOYSA-N 412.446 1.315 30 10 HDEE COc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1C#N 747404170 QXQHWNVIQYSIJK-UHFFFAOYSA-N 422.489 1.500 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 756035104 RFUWFJJSAKJIQW-QHCPKHFHSA-N 418.541 1.811 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 757212520 YKROYEPYNRRGAV-HNNXBMFYSA-N 415.498 1.578 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 758621301 YXRAZESYEPLAFF-LBPRGKRZSA-N 410.945 1.586 30 10 HDEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCS(=O)(=O)C1 759687896 VJAORQPSJNWCCU-QKNQBKEWSA-N 422.522 1.731 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1 760551371 LMKSHTOYXLGVQO-MRXNPFEDSA-N 400.483 1.158 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)C1 762621250 ZEYMHQMJLHFTCU-UHFFFAOYSA-N 400.483 1.652 30 10 HDEE CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 763631124 DVJLMOSGHDPOOJ-JVMRMLDLSA-N 413.474 1.972 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](CC(=O)O)C1 769527585 OEZNHMYGPZJSGE-ZBFHGGJFSA-N 421.519 1.997 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1F 771795424 YXYWDXPNIMIWSJ-UHFFFAOYSA-N 404.423 1.423 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1C[C@@H]1c1ccccc1Cl 771892250 OWBNSCSDVNKZTB-CHWSQXEVSA-N 410.883 1.195 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 774231227 UNCHYXQZQHCRHB-BQFCYCMXSA-N 409.577 1.963 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774245989 GDDHAIVXNHFWTC-MISYRCLQSA-N 403.548 1.871 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)C2=O)n(C)n1 780399195 WUBCNGKTXRHNLJ-LJQANCHMSA-N 423.477 1.826 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 780987777 YUILPGQHZIBOFZ-QFBILLFUSA-N 405.410 1.115 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 788421823 ZVXHWAYWUHCFJH-UHFFFAOYSA-N 404.442 1.829 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)n1 788693423 CEOJCYBDERTBEC-UHFFFAOYSA-N 400.460 1.195 30 10 HDEE COc1ccc(COC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C#N 789113341 XDZSHZBCUZFESL-IBGZPJMESA-N 401.419 1.226 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cccc(Br)c1C#N 805051864 ROAVTIYSTJNRMV-UHFFFAOYSA-N 409.327 1.764 30 10 HDEE C#CCN(c1nnc(COCc2ccccc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 809908060 WLRBTWJLDBUKOE-GOSISDBHSA-N 400.504 1.808 30 10 HDEE CCOC(=O)c1c(CON=C(N)c2ccc(N3CCC(O)CC3)cc2)noc1C 809996870 LZGFVAPKUTYAMD-UHFFFAOYSA-N 402.451 1.958 30 10 HDEE C#CCNC(=O)CN1CCN(C[C@@](C)(O)c2ccc(Br)cc2F)CC1 815037904 ZANBMHAOWPIXJH-GOSISDBHSA-N 412.303 1.163 30 10 HDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700401 QAWSZZZHVGDQMY-KRWDZBQOSA-N 413.503 1.685 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ncc3cc(C)cnc32)c1 1125488729 BFXYZNFCRYPWST-UHFFFAOYSA-N 417.469 1.613 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1128218884 JIBSEKAUUFCFIB-BMGDILEWSA-N 421.881 1.501 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C1CC1 1130309998 DXMXPPXFERYWLJ-KSZLIROESA-N 424.457 1.421 30 10 HDEE Cn1ccnc1C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1137338152 ZSBIECDAEZQVCM-CQSZACIVSA-N 404.467 1.951 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 1152967465 HWTVAPWRIRXGJT-UHFFFAOYSA-N 418.494 1.459 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1 1156962372 KMOHUHQOTOISNY-UHFFFAOYSA-N 412.467 1.788 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3CCOC[C@@H]3CC)ccc2c1=O 1177128035 BLUFSILXSVMBHZ-HNNXBMFYSA-N 402.520 1.712 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1180135886 XEHIPELNNRVUII-HIFRSBDPSA-N 421.519 1.742 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCCONC(=O)OC(C)(C)C)c1 1213870642 GZZWBCWTZJLFHW-UHFFFAOYSA-N 413.496 1.727 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 1214212125 FOFLRKDKAIFUJJ-INIZCTEOSA-N 406.508 1.833 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1230908206 VSBPLFSQHYSCRC-GJZGRUSLSA-N 424.523 1.529 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)O3)C2=O)cc1 1248374484 AXPNISAWJMTYJX-RBUKOAKNSA-N 412.490 1.687 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1248377256 HHCJMAHNKGLMPP-OAHLLOKOSA-N 410.515 1.394 30 10 HDEE CN(C)CCCOc1cnccc1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1251591793 YNZILNNCIFRXPF-UHFFFAOYSA-N 423.521 1.711 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)cc2C1=O 1280310709 QMDUZWMBAOKAAF-GOSISDBHSA-N 410.451 1.868 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1286276985 VJWMKUXWVSQMOZ-JXFKEZNVSA-N 401.515 1.538 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1286444175 RDNTXVVHLGQGEZ-OAHLLOKOSA-N 412.460 1.963 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1286491509 VCYHKHPMBYCVEQ-GCJKJVERSA-N 415.538 1.535 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2([S@@](C)=O)CC2)CC1 1286495073 XIFMKTABBYGWTF-MUUNZHRXSA-N 405.568 1.354 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286514540 KCTZCOPXHFRPRF-CABCVRRESA-N 404.496 1.765 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1286730757 MYYSWKXHGOCZGW-UHFFFAOYSA-N 406.450 1.562 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1)C1CC1 1286734037 NFLNMNOBMJOVAW-UHFFFAOYSA-N 417.535 1.875 30 10 HDEE C=CCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286778010 QGDGBRXIZTVFSY-FQEVSTJZSA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2c(ccnc2O)C1 1286789469 GUVMDWBEMGUNKW-UHFFFAOYSA-N 410.503 1.896 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc(COC)n2)C1 1286807746 GHULNABKUNYRHP-HUUCEWRRSA-N 418.523 1.662 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1288226003 JZLLLRAMUHKCFN-DYESRHJHSA-N 404.486 1.329 30 10 HDEE CCn1cnnc1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1293153912 NPFREZFUWWQXNL-UHFFFAOYSA-N 403.284 1.727 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1296971452 ACPMECIPWHZVPX-KNQAVFIVSA-N 410.522 1.889 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1297312535 XXOOHBLQSNTUFC-QGZVFWFLSA-N 414.466 1.069 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)C1[C@@H]2CCC[C@@H]12 1298134842 VPJJNARUIDTWIT-IAGOWNOFSA-N 414.535 1.943 30 10 HDEE CN(CCc1cnccn1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1298625536 DDVPNQILSOSLPQ-ISLYRVAYSA-N 424.509 1.571 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1300298548 DSMWRDHQWMRZGR-UZLBHIALSA-N 413.551 1.401 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCO)c(OC)c1 1300536431 XKZZDAWFYDONSG-LJQANCHMSA-N 424.501 1.673 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1300580449 CVFHQMAQKQVMCW-SFHVURJKSA-N 418.563 1.992 30 10 HDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n1 1300602124 LYCDZADMIBRGGD-SECBINFHSA-N 422.239 1.872 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1300849655 RYYAXZDMCSJYOW-NEPJUHHUSA-N 405.318 1.314 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1301492376 HJRROWFRQCPLEK-HXUWFJFHSA-N 412.425 1.460 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nccs1 1301567545 IRNOWVWUTTUVLW-UHFFFAOYSA-N 424.552 1.208 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301584923 GGNWHJHYBWNWFU-CABCVRRESA-N 410.496 1.651 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1 1301774837 IEPKMAQLEPHVBR-GOSISDBHSA-N 401.515 1.034 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1301774981 KOLMNWBOXLATMM-WIYYLYMNSA-N 415.542 1.424 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)cc1 1303595725 HOXWZANTFUFHLK-AWEZNQCLSA-N 402.480 1.372 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305448646 IQDLEDQBKBSKKG-RMYFCYLKSA-N 402.499 1.527 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1C#N 1306285956 LJROLTLVUYFCCY-IBGZPJMESA-N 406.487 1.398 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1Br 1309341424 AVIAJJXYLPIZKE-VIFPVBQESA-N 416.272 1.749 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1309982923 VJNOLRBPTOQILS-CQSZACIVSA-N 415.899 1.257 30 10 HDEE CCCNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1313482938 BQRRLLXBSPVGFK-OAQYLSRUSA-N 424.484 1.875 30 10 HDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1314873433 FFCPOZDAHBTJQP-UHFFFAOYSA-N 414.510 1.268 30 10 HDEE CN1C[C@@](C)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)C1=O 1314924674 ZFDCHUPQKXQYMJ-IWLLQYOYSA-N 416.526 1.404 30 10 HDEE CSCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1316455820 LLWWIJIAOUBFAV-LSDHHAIUSA-N 413.569 1.442 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318371386 HQZMZVLQJNXLDD-QUCCMNQESA-N 404.470 1.727 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1318453574 DWSLPLDFGQSXRM-HTXNQAPBSA-N 415.450 1.018 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H](Cc1ccccc1)C(N)=O 1355921683 DUPAPUMIHMSLLY-HNNXBMFYSA-N 402.248 1.912 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1358955864 VDUTWNRRAUKFOK-KRWDZBQOSA-N 409.600 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCNC(C)=O 1358997628 ZHCOHRFESXHAAQ-UHFFFAOYSA-N 412.519 1.259 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)CC1 1359036152 OOGZTSMUIOMXBO-IAGOWNOFSA-N 423.608 1.221 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCn2cc(Cl)cn2)CC1 1359037461 JYSYWEJFARJWKM-UHFFFAOYSA-N 410.913 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(C)CN(C)C2=O)CC1 1359040786 GKDVWAADSAVQII-VFNWGFHPSA-N 400.527 1.236 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1359231260 RJYZEMLBHCGABG-CQSZACIVSA-N 406.512 1.539 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](COC)C1 1359302983 ZUWXOKKVIXLHJE-QGZVFWFLSA-N 423.521 1.682 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359304879 MJOJWPUHNVHAJL-SJLPKXTDSA-N 424.505 1.183 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1359327383 ZLPSMKKHSIIPPH-UHFFFAOYSA-N 424.571 1.386 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1359462061 RDPAQULLJYGKDY-HOTGVXAUSA-N 412.494 1.869 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCc3ccc(C#N)cc3)C2=O)cc1 1437614520 DSQYMDZWGGPLHZ-JOCHJYFZSA-N 406.442 1.693 30 10 HDEE COC(=O)c1ccccc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1448180482 XKONGMAZDRXGQE-UHFFFAOYSA-N 415.471 1.608 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(c4nc(=N)n(C)[nH]4)CC3)n[nH]2)c1C 1448394985 SJXXVYUDXAZSFG-UHFFFAOYSA-N 409.498 1.637 30 10 HDEE N#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1453302493 FVIJUJJNOCEHJR-KMFMINBZSA-N 411.911 1.616 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)c3ccccc3OCC#N)C2)nn1 1455185196 DENCKIQSWDSXLP-UHFFFAOYSA-N 412.450 1.902 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(-c3ccccn3)n2)cc1 1455238669 GCXUWHBEMXPSIB-UHFFFAOYSA-N 407.455 1.380 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C1CCN(C)CC1 1456168404 GLDIADNLISNMJS-UHFFFAOYSA-N 420.466 1.352 30 10 HDEE O=C(c1nnc(O)nc1O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456582359 CVPZHSJRYPSERP-QWWZWVQMSA-N 408.205 1.526 30 10 HDEE N#CCCn1ncc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1-c1ccccc1 1461160899 MQIZWVGNEVWKRC-FQEVSTJZSA-N 414.487 1.493 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@H]1CS(=O)(=O)C2 1462998387 NICSXWDLHCXHML-XPTSAGLGSA-N 414.237 1.368 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1463750491 WIFTVJKVZZBAHW-OAHLLOKOSA-N 414.934 1.445 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccnc3c2CC(=O)N3)c1 1464260672 OBLCBRRPLAKKLY-XQNSMLJCSA-N 413.459 1.641 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncc(F)cn3)CC2)c1 1466775155 VVDQKRGEYCOUKY-UHFFFAOYSA-N 402.451 1.375 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)C1 1467184826 DRZWHAQVBSFOOM-CYBMUJFWSA-N 416.450 1.741 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](N4CCOCC4)C3)CC2=O)cc1Cl 1468181102 HJKMXFVZHPPDOM-AEFFLSMTSA-N 416.909 1.888 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)c1 1472252283 PPFXTWSLYZYGPR-SFHVURJKSA-N 408.520 1.809 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)CC1 1472364247 NVEMRRAAYIOISB-JOCHJYFZSA-N 410.562 1.223 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CC1 1474812472 ABIDRILFRRTSQJ-UHFFFAOYSA-N 417.940 1.670 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1475139099 KVEQIUQJONJBET-UHFFFAOYSA-N 419.297 1.515 30 10 HDEE C#CCN(C(=O)NCCCCS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1478725182 SGFJJHROWVHXMN-UHFFFAOYSA-N 416.544 1.099 30 10 HDEE CNC(=O)[C@@H](CNC(=O)NCC#C[C@H]1CCCCO1)Cc1ccc(OC)c(F)c1 1478874933 HADCXXQHYDKBFX-IAGOWNOFSA-N 405.470 1.611 30 10 HDEE CC(C)[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1494135745 GNWOJAQVRLULSV-YCRPNKLZSA-N 410.526 1.939 30 10 HDEE CCNC(=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCC(=O)NC)CCC1 1502397425 CLBIYHWKYLGVKT-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1503505077 AXNKAMDKPXHOMM-UHFFFAOYSA-N 406.446 1.905 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1507667962 VKIDIJIQINEHHB-CQSZACIVSA-N 411.535 1.889 30 10 HDEE CC[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1513539932 BAPUSQZKEQUFPZ-LJQANCHMSA-N 402.524 1.992 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1517402459 SKZMJRLKDDIOIG-MOPGFXCFSA-N 413.413 1.774 30 10 HDEE C=CCC(C)(C)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1519541084 GSEUBRQVZMVJOJ-JSEZXORMSA-N 400.479 1.440 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C1(c2cc(F)cc(C#N)c2)CC1 1534481371 FNIIBOGXEOYEOC-UHFFFAOYSA-N 422.460 1.620 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 1538843763 AXHLBVZDKDEFAB-OAQYLSRUSA-N 417.531 1.717 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCS(C)(=O)=O 1539162041 NAJRXALIUYPGDX-UHFFFAOYSA-N 415.288 1.961 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1539174839 NEYXXSAFLAAOLT-KRWDZBQOSA-N 415.519 1.304 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(=O)NC2CCCCC2)n1 1539424505 RKOHHMHQXIZTIR-UHFFFAOYSA-N 413.526 1.518 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2ccc(F)cc2)CC1 1539462345 DSDPXADCKRIUIJ-GOSISDBHSA-N 412.469 1.663 30 10 HDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1539530731 MOSNMEDJZJFQFY-JXFKEZNVSA-N 419.551 1.108 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1539631871 NZOIJHRWOZSIMZ-BDXSIMOUSA-N 419.526 1.105 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1540186456 CESNSOWFGLLMBT-MRXNPFEDSA-N 400.483 1.536 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1554597162 HPDBPARYNHBDRR-LSDHHAIUSA-N 418.523 1.322 30 10 HDEE COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1555023411 BUFBSILMMNKSCE-UGSOOPFHSA-N 422.486 1.387 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1557240429 KUSPBFSYNJXKMV-IBGZPJMESA-N 412.515 1.882 30 10 HDEE C=C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1557624006 VLVKULCBHFZNDS-LLVKDONJSA-N 423.354 1.574 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc3c2OC(F)(F)O3)c1 1557663358 SLDSYELDRJRHKK-UHFFFAOYSA-N 408.382 1.850 30 10 HDEE Cc1c[nH]c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1=O 1558583975 QHBVMERVFIRUDU-MRXNPFEDSA-N 407.430 1.385 30 10 HDEE N#Cc1cn(CCC(=O)N2CC(Cc3ccc(Br)cc3)C2)c(=O)nc1O 1558647278 ADBSFRSORYHUBC-UHFFFAOYSA-N 417.263 1.674 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CCCN1C(=O)OC(C)(C)C 1558701689 COJXHHOSLAAONX-KGVIQGDOSA-N 405.539 1.837 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC(O)(CO)CC1)CCCC2 1559981931 DRNQNLJBRFFXTD-INIZCTEOSA-N 416.522 1.175 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCc3ccc4c(c3)OCO4)CC2)o1 1560148125 KVKZZIZPORTZOM-UHFFFAOYSA-N 411.462 1.407 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1564269699 PKWGBHNYHXASRR-RBUKOAKNSA-N 401.463 1.537 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1565253670 QOKCIWPDVIJFBR-OLZOCXBDSA-N 408.446 1.595 30 10 HDEE C=CCOc1ccc(C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1 1572484125 KDIGEWIROJFGJP-AZQPHWPRSA-N 400.475 1.224 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1583244241 GKXDYUWPYRQCPJ-CABCVRRESA-N 417.325 1.919 30 10 HDEE CC(C)(C)OC(=O)[C@]1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOC1 1583847827 GAAYGBJPTAVITR-SFHVURJKSA-N 412.439 1.354 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1584046279 ILEDJFHGRCDIFW-INIZCTEOSA-N 406.487 1.157 30 10 HDEE CC(C)(C)OC(=O)/C=C/c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)co1 1585296617 LUJNUUFGTGORLF-GWNGIWIGSA-N 401.419 1.891 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)nn1 1585555832 QQIGSIKWHQRLOM-UHFFFAOYSA-N 409.537 1.876 30 10 HDEE C[C@@]1(C2CC2)COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1585964114 BUCIYPTYOKNBJY-NRFANRHFSA-N 417.531 1.986 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H]3CCCCN(C)C3=O)ccc2c1=O 1586860176 HFMOKOQHRKOIGZ-MRXNPFEDSA-N 400.504 1.954 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1587193554 CYBKAQITAOMNMY-AWEZNQCLSA-N 400.410 1.672 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=C)Cl)C(=O)OCC)cc1 1587285200 AVXMIMAVAYAACW-OAHLLOKOSA-N 400.884 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1587586512 PBYYMYHJHFLFLW-VBKZILBWSA-N 414.487 1.699 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1587614968 PUVAHKAHYJWKCA-OAHLLOKOSA-N 414.535 1.834 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCCN2CCC[C@H]2CO)c1 1587689911 SOABNAWGWLYKJF-NRFANRHFSA-N 424.549 1.880 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@]1(N2CCOCC2)CCSC1 1587975020 KBCAOKUNHBZFKI-OAQYLSRUSA-N 412.563 1.926 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1588138514 DYQVKSNZIRDGAU-MSOLQXFVSA-N 403.552 1.127 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1588229130 RFICMGJICLVGRQ-CQSZACIVSA-N 400.451 1.272 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588292759 ATIOPMNGUJYYRQ-XUTLUUPISA-N 420.473 1.940 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1588660211 STTLGOKGDATZGU-NRFANRHFSA-N 401.486 1.161 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(C)(C)O)CC1 1588864234 AQRKPHWORIDNPU-UHFFFAOYSA-N 416.551 1.186 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(CCS(C)(=O)=O)C1CC1 1589047870 LSWNASAMURPTLL-UHFFFAOYSA-N 405.549 1.720 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H](C)C(=O)NC 1589427315 HURUXNZEDNNANW-GFCCVEGCSA-N 407.316 1.991 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1595021319 XLCUPLPJGFJHCE-HNNXBMFYSA-N 409.494 1.995 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1596792258 VJGGYHUKNIDJQY-JXFKEZNVSA-N 416.530 1.676 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)nc1 1596978348 NMTFEROUSJMKRD-QGZVFWFLSA-N 413.503 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1596978644 RHJXUPXILGNFGJ-IRXDYDNUSA-N 415.494 1.992 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C#N)CC1 1597693422 BVMCOIUYCCYGPR-UHFFFAOYSA-N 403.512 1.688 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1609506685 FXCRYDVMEDFPGX-CABCVRRESA-N 417.539 1.509 30 10 HDEE CNC(=O)c1cc(OC)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1611129276 HWWUXFOVPCIRPN-UHFFFAOYSA-N 405.407 1.743 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1611250428 ALQRLFOHNUSPOP-KXBFYZLASA-N 413.540 1.177 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1611303671 RGBAYKGDXSAENN-GOEBONIOSA-N 420.468 1.829 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1614185776 AVZQRTOIKRUYAU-YUMLTWSLSA-N 414.510 1.935 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 1616210482 QQRZJRHKTUICJE-GOSISDBHSA-N 422.570 1.696 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 1617735497 PJCJTZYPJTYNER-WBVHZDCISA-N 401.492 1.477 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCOCC2)cn1 1618393527 VXTFURBPVATKPF-OAQYLSRUSA-N 412.542 1.921 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CCO1 1618692411 CYICBBSFHIYZBH-UWJYYQICSA-N 410.478 1.337 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCOC1 1620018303 BZWPRRYWZVHVJI-VQIMIIECSA-N 416.526 1.525 30 10 HDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NOCC(N)=O)c1 1624146871 SRPLTYVADJANIF-UHFFFAOYSA-N 423.878 1.868 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3n(n2)CCC[C@@H]3O)c1 1624892867 QYVPEJMVUYLZPZ-CZEALIGGSA-N 417.491 1.775 30 10 HDEE CN1CCO[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 1625039288 JKZPLESDEILQFB-QFGIDJEJSA-N 422.507 1.075 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C2CC2)n[nH]1 1628397670 BCSKOEOUFVFCMO-AWEZNQCLSA-N 416.507 1.596 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1628628899 WCSJNMMTVRGGKN-HOTGVXAUSA-N 404.467 1.466 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1628666723 JQYDIAKPJOJLEW-IBGZPJMESA-N 409.442 1.434 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCc3ccc(C#N)cn3)cnn2c1 1629186025 PZVOXZLWJWKUQJ-UHFFFAOYSA-N 421.461 1.993 30 10 HDEE CCOP(=O)(CN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)OCC 1631047026 DYGDJKVWXLLWMP-ZDUSSCGKSA-N 417.424 1.907 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1632079004 UZMQBFDKWBZGKS-CQSZACIVSA-N 400.479 1.781 30 10 HDEE Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1634184609 JGOUMNBABHXTOZ-HNNXBMFYSA-N 412.471 1.814 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)[C@@H](CO)C1CC1 1636117278 HNUWGWHYSLLDBC-QFBILLFUSA-N 405.520 1.419 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc2c1OC(C)(C)C[C@H]2O)c1cc[nH]n1 1636472155 QPQVQBOZWCPSNJ-OAHLLOKOSA-N 416.434 1.927 30 10 HDEE CC(C)OC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1638610546 NJHURFQGBHRYCT-UHFFFAOYSA-N 407.492 1.682 30 10 HDEE CN1CCC(N(CCO)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1640279650 DQUDMTCWZHCBIX-OAHLLOKOSA-N 404.898 1.480 30 10 HDEE C[C@H](C#N)N(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 1640986892 GVIYTAAITROKPH-CQSZACIVSA-N 407.492 1.809 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1 1643848154 CJZLCUJQMSJJKB-HNNXBMFYSA-N 403.464 1.664 30 10 HDEE C=CCCO[C@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1646088050 VDYCWMKELUQVJT-KFWWJZLASA-N 402.513 1.213 30 10 HDEE N#Cc1cn(CCNC(=O)CCCOc2ccccc2Br)c(=O)nc1O 1646147682 LONHUCZHHSHSOM-UHFFFAOYSA-N 421.251 1.558 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](c4cnccn4)C3)C2=O)cc1 1646562502 LQZYAZBBDXSDJS-DOTOQJQBSA-N 404.430 1.569 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)CC12CN(C(=O)OC(C)(C)C)C2 1647764336 MPUQNOVJZRYNQC-IFXJQAMLSA-N 407.467 1.175 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1651547911 FMMDJJQWAVRGEZ-KRWDZBQOSA-N 420.429 1.499 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(NS(N)(=O)=O)CC1 1655284147 ODFYMJOESOGJGP-CYBMUJFWSA-N 411.553 1.277 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c2ccccc12 1661545800 VJAKNZYWAKAHOE-CQSZACIVSA-N 423.512 1.990 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1667133823 ZRBQIRZAGRWQDQ-OAHLLOKOSA-N 407.492 1.593 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccccc3N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1671125426 WSIYMQAPWWDSNL-PXNSSMCTSA-N 402.520 1.757 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1673611175 KHRCUWMBANAQDX-XKAFOEQXSA-N 417.535 1.719 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCCC1 1678024880 RSJOPQFRXNDIND-UHFFFAOYSA-N 408.480 1.899 30 10 HDEE C=CCOCC(=O)NC[C@@H]1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CO1 1679018452 GTGPCBDTKAGEBA-UQZKUAJDSA-N 404.507 1.126 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@]2(CO)CCc3ccccc32)C1 1681435725 YYIVXEIQIMYYKZ-ZJBJCVSYSA-N 414.506 1.921 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H](C)C1 1689827471 FSCYSVTWZMQZFU-BZSNNMDCSA-N 424.615 1.858 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1689862770 GIVKXVIOBGJDFM-OAHLLOKOSA-N 413.503 1.764 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1689975298 RBMOLIIUWSREBQ-UHFFFAOYSA-N 406.446 1.477 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689990243 NDXDYKLTJZINQG-IRXDYDNUSA-N 415.519 1.160 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1690047559 UDWWMPLDMBVJJB-GOSISDBHSA-N 414.535 1.238 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1690067818 LRKNYNWJRMOQCK-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCN2CC)CC1 1690129297 UJWRARLJZJTVBX-IBGZPJMESA-N 413.595 1.873 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1690321878 NOIQQVFPLCWNGK-ROUUACIJSA-N 421.542 1.557 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C[C@@H]1CCOC1)C1CC1 1690674770 DUWZIDJANODOGM-KRWDZBQOSA-N 413.526 1.447 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1690678452 WNDRJWCVEIIRGX-XLMAVXFVSA-N 421.542 1.349 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CCO1 1690963598 CVLWRAQDESLGIM-LJQANCHMSA-N 421.461 1.118 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1691001426 IKMLRNLTVRDPEO-NARAOEGZSA-N 402.499 1.553 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1 1693709484 DTKXRAINDJLHBB-HNNXBMFYSA-N 402.524 1.991 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1694738219 KEDMXVYYHCTKCV-QGZVFWFLSA-N 410.526 1.154 30 10 HDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCNS(C)(=O)=O 1697571393 GFKVDKURGBBLKW-AWEZNQCLSA-N 406.512 1.165 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705476664 CQJIZFOYJZIGRG-SIBFUHKCSA-N 409.556 1.287 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1705477771 RSQZGKNJGHRJHG-HUUCEWRRSA-N 405.524 1.793 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1705478070 WEBZPNFRCZQIMH-YPMHNXCESA-N 410.569 1.662 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1705560159 DWPIGLSRAGFHTE-QFBILLFUSA-N 408.524 1.131 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705566535 NXORPSKKQRJVFD-KURKYZTESA-N 420.535 1.492 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705572871 REWZBEJWDLBOMW-VGSWGCGISA-N 420.473 1.336 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1705575037 WKJYLAMMLFJSIN-NRFANRHFSA-N 417.510 1.528 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1705612401 GNDJIDUWTHCONT-HNNXBMFYSA-N 402.524 1.149 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)COCCO2)CC1 1705636478 MAZNYYIXNGJRNT-HXUWFJFHSA-N 416.913 1.554 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](OC)C(C)C)CC1 1705648290 PYSAGSZFQOTLIV-ROUUACIJSA-N 403.527 1.419 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705749760 HKPKURUWLPPACB-HZPDHXFCSA-N 401.854 1.929 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CCOC)CC1 1705765662 WJAGTACWZZVNSL-OAQYLSRUSA-N 424.509 1.865 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705875236 LSYJUKWMPUZPCF-GOSISDBHSA-N 416.551 1.866 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)C1 1705925267 NCYLXGVUUYLONW-HUUCEWRRSA-N 407.496 1.306 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)C1 1705925560 QRCCJQTZDIQJPA-GJZGRUSLSA-N 423.564 1.661 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1705988650 YLBDJEGFYJDOPG-HXUWFJFHSA-N 424.505 1.681 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1706750245 NKJVZOBIJHRPOS-INIZCTEOSA-N 422.493 1.849 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1711051416 GIULAIAHXGFUSM-OAQYLSRUSA-N 412.494 1.319 30 10 HDEE C=CCC1(C(=O)NCC2[C@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@H]23)CCOCC1 1718340804 JZJLZCJGIPATOZ-GSAXKUOUSA-N 400.519 1.603 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[S@@](=O)CC 1722357887 SGBIKMCVRGSPCT-ZKDVCIDWSA-N 409.556 1.887 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCN1CCOC[C@@H]1C 1722426089 XZZQBNWKEOYGBC-KRWDZBQOSA-N 403.552 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 1722689952 CACQUFUEXRTHHE-AWEZNQCLSA-N 421.498 1.428 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1723773268 PWPGHCSIYKQICQ-KGLIPLIRSA-N 402.455 1.550 30 10 HDEE CC1=CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1724861164 JZAPKAWIDXMYBL-QZQOTICOSA-N 419.489 1.947 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1740549599 MHFLEEZRDGQLKR-CYBMUJFWSA-N 414.491 1.487 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1740598391 OOFIDUKDOLYJHL-MRXNPFEDSA-N 416.526 1.983 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(OC)cc1 1740599970 HFLQVSRYEICNJA-GJZGRUSLSA-N 421.523 1.434 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1740600997 QETDDESWCTWMRQ-AWEZNQCLSA-N 411.441 1.838 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(CS(C)(=O)=O)c1 1740612120 FKBRBJWELWZMFN-UHFFFAOYSA-N 409.515 1.926 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1740661223 VLWYKHJQKFZWFT-UHFFFAOYSA-N 412.494 1.402 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O 1740688993 XWCDZEHNOINWOX-NRFANRHFSA-N 415.469 1.561 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C2CCC2)CC1 1740696179 NTEVJJWYAYETKN-LJQANCHMSA-N 414.554 1.234 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C(C)(C)C)C1 1740952602 JDFBHVGIBQUQDK-HOTGVXAUSA-N 409.531 1.556 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](CCOC)C1 1740954681 DSGOLMWTDFHHSD-OAHLLOKOSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](COc2ccccc2)C1 1740957099 AZFIPHJEJVLZLL-QGZVFWFLSA-N 419.489 1.943 30 10 HDEE CN(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1747558312 GOAVDDCXBOPPRC-QZTJIDSGSA-N 407.478 1.889 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1747607600 LXAUJTMHOJYGNG-UHFFFAOYSA-N 422.580 1.952 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1cnnn1C 1748798734 HNHHYSUUEKWLDH-UHFFFAOYSA-N 416.283 1.866 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748824139 JRCGOBOLNNWGMA-GOSISDBHSA-N 424.567 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1748824660 GLIKVLMMGIYLGR-QGZVFWFLSA-N 405.458 1.427 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC1 1748947973 BXDCLRZYUYYQRK-UHFFFAOYSA-N 417.897 1.472 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn(CC)c2)CC1 1748977027 CDYYZTJJTVJOIV-QGZVFWFLSA-N 401.515 1.022 30 10 HDEE C#CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1749049238 ZWZXDWQHZFUHOU-BEFAXECRSA-N 408.524 1.296 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C 1749141031 WOKOSGMSXCRWLU-SJLPKXTDSA-N 405.543 1.852 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749193471 KDJZTQXPDHDIRH-YWZLYKJASA-N 420.510 1.993 30 10 HDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749204440 FSRQVDYGYKXRTL-INIZCTEOSA-N 412.494 1.998 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cc[nH]n2)CC1 1749343697 POBFZKIILBHSDG-UHFFFAOYSA-N 406.494 1.819 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749680849 SVDXDOYTFSBTKM-UHFFFAOYSA-N 418.542 1.488 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1749734727 LQVRGNWDDRHXOB-HNNXBMFYSA-N 419.555 1.363 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1750009163 SQYIEZXRHFFLFI-CVEARBPZSA-N 403.487 1.130 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1750348146 VJEOLPUERQPOHL-VPZZIHKRSA-N 421.477 1.584 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1752318901 LHJLFFOGMHRUJU-CPUCHLNUSA-N 423.477 1.419 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760135130 JQNRSQHNHMNJTI-KRWDZBQOSA-N 416.551 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1760201449 BJCPFIVWLSUYMU-UHFFFAOYSA-N 424.486 1.222 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760203755 PDZXSFXHMVCSPM-OALUTQOASA-N 417.579 1.754 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCCCC1 1760243989 VTQQSLULIISXIN-LJQANCHMSA-N 416.570 1.722 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760279017 OLTUTRNJSUUULO-INIZCTEOSA-N 401.540 1.540 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1760505777 JYPDDGWKJFGDJP-KRWDZBQOSA-N 419.526 1.583 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCSCC1 1760527422 WMNAOAKKLFXSFJ-UHFFFAOYSA-N 401.536 1.927 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC(C)(OC)C1 1760557231 FBYIBOUVNDJNJM-UHFFFAOYSA-N 420.535 1.991 30 10 HDEE C=CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OCC)CCOC1 1760568603 NKUNMOFRXMHTJY-IBGZPJMESA-N 419.555 1.770 30 10 HDEE CCCN(CCC)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766020851 LUWMVJIJVQQJDQ-UHHPSXQGSA-N 402.499 1.935 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1768471132 HKYXQEGLEHFCGS-GVDBMIGSSA-N 400.483 1.797 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)c1cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn1)CC2 1849291220 KHZDNVOJXZEKSL-CHWSQXEVSA-N 410.400 1.770 30 10 HDEE C#CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1850100064 OODXURXXQTWAIY-UHFFFAOYSA-N 419.425 1.746 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(-c3cccnc3)[nH]n2)CC1 1851439487 DLJNOFQARDWFMG-UHFFFAOYSA-N 403.446 1.717 30 10 HDEE O=C(NCC#Cc1cccnc1)c1cccc(S(=O)(=O)N2CCSCC2)c1 1852385865 PUGIPXAJQLIYRO-UHFFFAOYSA-N 401.513 1.601 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCCS2(=O)=O)c(I)c1 1852563822 LHXJCRYNCWBTKH-UHFFFAOYSA-N 405.217 1.137 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)C2CC3(CC(=O)C3)C2)C1=O 1854224794 NJBPIWPVCLPSSY-ROUUACIJSA-N 401.507 1.372 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN(CC(=O)N3CCCC3)c3ccccc32)ccn1 1855022331 YPDOZJITRJRWQP-UHFFFAOYSA-N 403.442 1.959 30 10 HDEE COc1ccc(SCCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855098711 VCKUOIBRFOEPPN-KRWDZBQOSA-N 416.547 1.836 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)Cn3cnc4ccccc4c3=O)C2=O)CC1 1855603833 BMIIXYRMXCGETA-IBGZPJMESA-N 407.474 1.540 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)COc3ccccc3)C2)C1 1856377738 CKGHVDIDTVZICH-INIZCTEOSA-N 406.442 1.470 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3COc4c(cccc4OC)C3)C(=O)C2)C1 1856857615 LCTQCZVKRPVJLX-OALUTQOASA-N 413.518 1.568 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2c(F)cccc2F)C1=O 1857147546 QWSUOKIYIUKTLQ-MRXNPFEDSA-N 412.400 1.188 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1857242775 OKWMWKMJMHOXQC-DLBZAZTESA-N 416.547 1.628 30 10 HDEE CC(=O)[C@@H](C(=O)N(C)C)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C12CCCC2 1857261013 SLHJCPYLGBZVQZ-SFHVURJKSA-N 410.474 1.201 30 10 HDEE C[C@H]1CC(=O)N(C(=O)CN2CCCCC2)c2ccccc2N1S(=O)(=O)CC#N 1857457750 VALITJBAQZHHNE-HNNXBMFYSA-N 404.492 1.484 30 10 HDEE Cn1cccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)c1=O 1857494530 IAHOEDDMMCZXKL-UHFFFAOYSA-N 406.442 1.203 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C[C@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)s1 1857502251 WAIBFDGERCSONW-LSDHHAIUSA-N 413.503 1.868 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860968282 MYCOASQWSAOURK-IBGZPJMESA-N 419.485 1.624 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN1C(=O)c2ccccc2C1=O 1861521629 HUWDPZJBTRHXTP-GOSISDBHSA-N 407.426 1.018 30 10 HDEE CN(C)C1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCO)CC1 1870350345 BAVXSLLEZBFQKH-UHFFFAOYSA-N 410.518 1.817 30 10 HDEE C=CCN=c1nc(N2CCC[C@H](C)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633370 YFKQKWYLFDFAHE-ZDUSSCGKSA-N 407.478 1.519 30 10 HDEE C=CCN([C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)C1CC1 1872271520 OKNQPTCSIAZBHF-INIZCTEOSA-N 406.552 1.746 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873560705 JWBSBMKSZRHIAG-HOTGVXAUSA-N 401.511 1.526 30 10 HDEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562831 VMYNUZRYQAJACZ-UHFFFAOYSA-N 421.505 1.403 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(OC)c1 1874433926 DWCOVQAJJMYZGY-UFWORHAWSA-N 407.452 1.079 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C[C@@H]3CCCCO3)CC2)CC1 1889305702 CIRXEIJICXCPBR-QFIPXVFZSA-N 405.583 1.983 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4cccn4)ccn3)CC2)CC1 1889425027 UUUUVUVBGXYTOR-UHFFFAOYSA-N 422.533 1.139 30 10 HDEE CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nccn3C2)c1 2053623255 OJKZAIWHABGBPQ-AWEZNQCLSA-N 401.492 1.897 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 2118169510 XOGXDWGQKXQMQN-SFHVURJKSA-N 415.471 1.874 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174781051 BJKPAHBDPJDTIO-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 2181082783 CLJRDYNVIFGVTB-QWHCGFSZSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(S(N)(=O)=O)CC1 2181109120 AVVNLAPLLFSAGZ-CQSZACIVSA-N 402.517 1.243 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)o2)OC1(C)C 2247864097 AHKZZFMRUYSEKD-KRWDZBQOSA-N 416.205 1.862 30 10 HDEE CC(C)(CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247922771 NFCGQXPACTXRNI-UHFFFAOYSA-N 420.319 1.809 30 10 HDEE C[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2248403719 IJTYJYMEFSINKS-MRXNPFEDSA-N 421.347 1.679 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248442891 YGNMKBLVXCXBHI-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2249998562 KQLMQKNHOFKPHC-GGYDESQDSA-N 422.331 1.793 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835661 POYMPAWSXQWPRQ-QFBILLFUSA-N 424.354 1.970 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSC[C@H]3CO)c2)OC1(C)C 2267368367 IGMQYSRFBZYLJV-GFCCVEGCSA-N 405.372 1.146 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270515619 CEJCTAWUUNRDHB-SJLPKXTDSA-N 422.503 1.520 30 10 HDEE C[C@@H]1OCC[C@@]1(O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281965249 AODDBRVIJBOSQG-DYZYQPBXSA-N 401.721 1.970 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(SC(F)F)C3)c2)OC1(C)C 2282299235 SAZKTTGXPPOCLL-UHFFFAOYSA-N 406.285 1.710 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]4CNC[C@@H]43)cc2Cl)OC1(C)C 2282305367 XXZOGTHTSHGDPO-JFGNBEQYSA-N 418.777 1.587 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(OCCO)C3)cc2Cl)OC1(C)C 2282308754 VQSKAHIEYIJTIC-UHFFFAOYSA-N 423.749 1.083 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282330218 WRHLHYPGPPFFTB-YDBLSZJJSA-N 402.347 1.120 30 10 HDEE COC(OC)[C@@H](C)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332627 DSCCLVLJWXPFEQ-LLVKDONJSA-N 405.347 1.675 30 10 HDEE CCOCC(C)(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282493306 SMBAVNVHFXHVSP-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE COC[C@@H](CF)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282493464 WLUGUKRVSMFHDR-GFCCVEGCSA-N 407.338 1.927 30 10 HDEE C[C@H](CN(C)C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502657 OHKRZPLQSSSOQP-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](CO)C3CC3)ccc2Cl)OC1(C)C 2282502830 QKHIAELLTGLJAS-OAHLLOKOSA-N 401.721 1.688 30 10 HDEE C[C@H]1CNCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282507930 OBSSXIUAYBVOLK-ZDUSSCGKSA-N 400.375 1.418 30 10 HDEE CC(C)(C)[C@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858470 XOBYINAIVRDMLK-LBPRGKRZSA-N 403.375 1.980 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](O)C2CCC2)OC1(C)C 2282882707 PRESSRLNESUBOM-AWEZNQCLSA-N 401.359 1.628 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC(F)(F)C[C@@H]2C#N)C1 2286065362 NFLFMOJATFYMLK-VXGBXAGGSA-N 407.439 1.170 30 10 HDEE CN(CC[C@@H]1CCO1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2296039964 FSMUPJBMXYWULG-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE COc1cc(C=CC(=O)C(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1OC 2323177201 IIBMWEAKYGVHDY-UHFFFAOYSA-N 412.446 1.434 30 10 HDEE COC1(C#C[C@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2338328738 MPTOXVLZQRPXAN-UGKGYDQZSA-N 402.491 1.676 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 2365200147 VZNMJDXFOIMLQP-BEFAXECRSA-N 402.557 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365211548 MLMXDHPJPDMTEF-ZFWWWQNUSA-N 401.525 1.779 30 10 HDEE CC1(C)[C@H](N)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2380429961 JHBAHKPXHORIQY-GFCCVEGCSA-N 401.363 1.084 30 10 HDEE C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(COC(C)=O)=C\[C@H](OC(=O)[C@](C)(O)CO)[C@@H]12 4991239 SQQDHMIYFXZFNM-QPEPNNPISA-N 408.447 1.359 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(OC)cc1 16893828 FLCLIUFDNGUJNH-HNNXBMFYSA-N 419.463 1.071 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 40376620 VASJABHGWLIRFN-YFKPBYRVSA-N 401.080 1.625 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)c1 90743958 BLWZOINLWYLPOB-UHFFFAOYSA-N 404.444 1.163 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)NCC#Cc1ccc(N2CCCCC2=O)cc1 96349431 BQPLCOMNWMHAHO-UHFFFAOYSA-N 415.449 1.967 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1 219944832 ORISFEQZCQPRNE-RHSMWYFYSA-N 407.430 1.390 30 10 HDEE C[C@@H](Cn1cnc(I)c1I)/C(N)=N/O 306309482 SBKHLRXUSAYCJP-BYPYZUCNSA-N 419.992 1.475 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 409575761 RYCRLIXYQRTHOM-MRXNPFEDSA-N 409.512 1.147 30 10 HDEE Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 462412539 YHWRUZIBMPZOHE-UHFFFAOYSA-N 408.501 1.936 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 471000710 IPDIJKSROPCQMR-DNVCBOLYSA-N 417.941 1.648 30 10 HDEE CN1CCOc2ccc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)cc21 473239572 FCRHXLDXYJBUTM-UHFFFAOYSA-N 405.458 1.674 30 10 HDEE CCc1nc(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n[nH]1 481988431 BQZKFMPZNKSPHN-UHFFFAOYSA-N 416.507 1.579 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1ccc(Cl)cc1 483164963 GBNWWUNQXUOLCG-PXAZEXFGSA-N 407.879 1.728 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](c3ccccc3)c3nc[nH]n3)C2=O)cc1 488268985 ZAWSZYQGYRUCNF-OALUTQOASA-N 415.457 1.866 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)CCCN(C)C 499333704 RYJXYIYRTFOUOX-UHFFFAOYSA-N 422.551 1.324 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)c(OC)c1 503773133 MUEHEJYPCVMSQC-UHFFFAOYSA-N 401.510 1.771 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)CC1 505014881 UKZSUTPVCXIKBN-UHFFFAOYSA-N 424.498 1.993 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 508956935 VFPVXYIYCFTSFA-GOSISDBHSA-N 418.542 1.123 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3c(C)nc4cc(O)nn4c3C)cc2C1=O 511873450 FLTCAITWWBZRJE-UHFFFAOYSA-N 405.414 1.764 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 522320935 SYAHJYGEQJMMGL-FXAWDEMLSA-N 418.925 1.306 30 10 HDEE COc1cc(CN2CCN(c3cccc(C#N)n3)CC2)cc(Cl)c1OCC(N)=O 545551700 UUWCOFZWMQDHCD-UHFFFAOYSA-N 415.881 1.802 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 549234167 HYBDNYAJAZCBIN-AEFFLSMTSA-N 408.520 1.448 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)Cn1nnn(C3CC3)c1=O)CCCC2 570857093 BYZVLHMSNHYPBK-CQSZACIVSA-N 411.466 1.144 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 573400577 MOYPWROTMQJPJU-AWEZNQCLSA-N 417.918 1.300 30 10 HDEE N#Cc1cccc(C(=O)[C@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824011 DUSTYFQLYDQDFF-QFBILLFUSA-N 416.437 1.274 30 10 HDEE CCn1c(=O)c(C(=O)CNc2ccc(F)c(C#N)c2)c(N)n(Cc2ccccc2)c1=O 590494025 DBLREZGURRTGCJ-UHFFFAOYSA-N 421.432 1.966 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 605415280 YZLANMPZGYOJML-UHFFFAOYSA-N 402.886 1.977 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(CC)c(=O)cc2C1 669804270 HGQGYGGOKJCIJT-UHFFFAOYSA-N 406.450 1.251 30 10 HDEE COCCC/N=C(/NN)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 705864051 DOYSRRKUCWAEMW-UHFFFAOYSA-N 411.550 1.903 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(Cl)cn3)cc2C1=O 732612962 TZXJLJILIGVBBF-UHFFFAOYSA-N 405.819 1.636 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732648633 GLYDVYVXLNWGRN-LPHOPBHVSA-N 416.547 1.920 30 10 HDEE C#CCN1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 733161085 JDKRKJXYGDUGHA-UHFFFAOYSA-N 406.280 1.342 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 733888177 OLZUMSYQUNZLNU-VHEBQXMUSA-N 403.483 1.089 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 741685552 BWHOYYPGJNSGAY-QZTJIDSGSA-N 420.554 1.354 30 10 HDEE C[C@@H](CC(=O)OCCN(C)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 744153756 IINLFZHAGPMBSA-NSHDSACASA-N 407.414 1.541 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)OCc2ccc(OC)c(C#N)c2)c1 747023780 WDMBATWTXAZDKQ-UHFFFAOYSA-N 404.444 1.849 30 10 HDEE Cn1cc(C(N)=O)cc1C(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 756242901 IHUXQXRKSRNNNQ-UHFFFAOYSA-N 400.338 1.133 30 10 HDEE C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 759195336 IJXSLOPIUWZMMJ-LFIBNONCSA-N 404.488 1.478 30 10 HDEE Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc(OCCO)c1 773291464 JLTLDCAUOSKONL-UHFFFAOYSA-N 403.460 1.433 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC)C(=O)O 776589805 XOHFRUDTCWBNNR-VIFPVBQESA-N 405.450 1.327 30 10 HDEE COCc1ccsc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 778932894 LNKUGTBOUCIDKD-UHFFFAOYSA-N 404.448 1.568 30 10 HDEE CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780215176 PUGFCRNIRZFEAX-SFHVURJKSA-N 404.444 1.464 30 10 HDEE Cn1c(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nnc1C1CCC1 783094503 ZULBFBNRVCSYDE-UHFFFAOYSA-N 417.491 1.645 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956102 DCOVMOBRDBIZFJ-CQSZACIVSA-N 422.535 1.908 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)n1 788695329 IYVBROOGJQHESB-YFHOEESVSA-N 417.487 1.540 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCC1CS(=O)(=O)C1 790640907 WDDWYUAKNOQZKE-FQEVSTJZSA-N 418.471 1.129 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 791718673 YHPHCFISBXJZLX-XOBRGWDASA-N 411.499 1.468 30 10 HDEE COC(=O)c1ccc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 793399013 IASWUFYGPXFDQW-GFCCVEGCSA-N 403.416 1.150 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(CC)o2)c1=O 800848814 FVSHAWBLRGTVDK-UHFFFAOYSA-N 424.478 1.357 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 802476522 CZVQBJBCAAPIHN-RBUKOAKNSA-N 417.531 1.052 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 802600831 UTADPIQSOUDZLM-HZPDHXFCSA-N 423.514 1.672 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 802604541 PODRGOVWYDXJCT-MISYRCLQSA-N 416.570 1.737 30 10 HDEE C#CC[C@]1(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)CCCN1C(=O)OC(C)(C)C 808595888 SSAIMJSWAZDAMC-VGOFRKELSA-N 420.506 1.960 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 809564584 ZMXLHCBMGCMSSL-QRVBRYPASA-N 421.586 1.914 30 10 HDEE C#Cc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 809985403 MHDJPZUQBFSAKS-UHFFFAOYSA-N 400.456 1.576 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1124496462 ISTJDWZNTITVAX-YOEHRIQHSA-N 400.447 1.779 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)cc1 1125087589 NODYZXQVQNCNSF-KRWDZBQOSA-N 403.464 1.358 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 1131708597 JMIOMZLHIVPWTA-OAHLLOKOSA-N 402.310 1.909 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CCN(C)CC1 1134043790 MBEFZSLUFDWRCM-HXUWFJFHSA-N 417.575 1.784 30 10 HDEE COC1(OC)CC2(CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C(C)C)C1 1143901776 FQDWPSBWEBSNHU-SFHVURJKSA-N 421.519 1.473 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 1144392905 QTDYSXPRIXIQAM-GOSISDBHSA-N 412.490 1.540 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)s1 1148820883 XIXGNMLKQRTJPN-UMFZYTJCSA-N 418.606 1.951 30 10 HDEE C=CCOC[C@H](NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)C(=O)OC 1155779406 LPCPZEOQFAHXSC-AWEZNQCLSA-N 410.377 1.651 30 10 HDEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1164489802 BBSHFJKINUFBMG-IBGZPJMESA-N 423.498 1.670 30 10 HDEE COc1cccc2c1CC[C@@]2(CO)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1175723301 CYZDXDMRNRJCTI-UGKGYDQZSA-N 400.523 1.111 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F 1213831746 HQKGOQRYMSYCCB-UHFFFAOYSA-N 402.875 1.984 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccc(F)cc1 1230478969 SWDAGKLAGMDUOV-SFHVURJKSA-N 411.499 1.582 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1ccc(Br)cc1 1230499320 UMKRWRYQEDPLST-BXUZGUMPSA-N 400.298 1.443 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1270654852 CEGLLPRVSHBWLT-RHSMWYFYSA-N 415.533 1.216 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CCOCC1 1280097624 ROPDQMRRHPJRKQ-NVXWUHKLSA-N 416.474 1.610 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCS(=O)(=O)C(C)(C)C 1286277516 DKRSDFTUXWFYKO-LSDHHAIUSA-N 400.545 1.673 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1286291670 DQNXOFALSVPIMM-WMLDXEAASA-N 412.469 1.565 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286338311 LFIIIDASZWDQTP-ZWKOTPCHSA-N 423.521 1.496 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1286348933 BKRLTKNLDZLUKA-LSDHHAIUSA-N 403.512 1.064 30 10 HDEE C#CCN(c1nnc(C)n1CCCc1nc2ccccc2[nH]1)[C@H]1CCS(=O)(=O)C1 1286383164 LMNVXIVZEHRMRA-INIZCTEOSA-N 412.519 1.722 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1286386658 FMGHNSFFBSHQQP-INIZCTEOSA-N 403.508 1.129 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286386884 IYIKEUKUWLRGNS-FXAWDEMLSA-N 417.535 1.374 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC[C@H](CO)O1 1286424183 SNKLMWBJVMMCTR-ZWKOTPCHSA-N 408.458 1.677 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1286467415 PKPYWQDEBSALKT-INIZCTEOSA-N 421.523 1.114 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2COCCO2)CC1 1286481977 LNHFMPXQAKTVFR-LJQANCHMSA-N 411.506 1.048 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)NC)CC1 1286788223 SGSWBVSAPWFDMH-INIZCTEOSA-N 404.515 1.174 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1nccs1 1286823116 JXZGWYUJSLENLK-UHFFFAOYSA-N 424.552 1.094 30 10 HDEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286827734 YMHOOVTWPQOASH-QGZVFWFLSA-N 417.535 1.824 30 10 HDEE CC(C)OCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1288389894 PYVTYGMIZNUISG-XLIONFOSSA-N 407.515 1.863 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1294124455 YJBCBXPVDSISLX-CHWSQXEVSA-N 409.936 1.563 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1295556396 DTAVYDJKNRRTSS-GGPKGHCWSA-N 422.547 1.737 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1297513089 WVASRXPCCRKIFX-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1 1300021469 XSWJBVDVVCJAKP-SFHVURJKSA-N 413.503 1.554 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(S(=O)(=O)NCC=C)s1 1300396344 OSTAQYSTOOQRJW-UHFFFAOYSA-N 412.533 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC 1300578983 LDBNVFAKJHAXGN-UHFFFAOYSA-N 403.446 1.193 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCSC1 1300587455 PEPLMWLVUOSXBX-IBGZPJMESA-N 401.561 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC=C)CC1 1300700116 LYNZSGNPHUEFPJ-QGZVFWFLSA-N 405.568 1.538 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCCN1CCN(CC)CC1 1300802259 LFLROJXNPSMQEC-SIKLNZKXSA-N 400.571 1.802 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(S(C)(=O)=O)CC1 1300946184 ONLKYWNRHOZHOM-UHFFFAOYSA-N 422.511 1.054 30 10 HDEE C=C(C)COCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1301001702 MIAOWYQEHCHQBK-SFTDATJTSA-N 421.542 1.485 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1301040090 BZDBFYSWLVKACI-CQSZACIVSA-N 423.930 1.049 30 10 HDEE C[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC(c2cccc(Cl)c2F)=NO1 1301213905 VELYSJOASZHLGV-GOSISDBHSA-N 419.800 1.313 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301219262 BXLSOXCELYYRNM-CQSZACIVSA-N 421.461 1.666 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1)C1CC1 1301323954 XXYTUMCFCIFBQM-CVEARBPZSA-N 424.496 1.740 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301412750 JBHXDAZDSAOQCN-UWJYYQICSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nc(CC)ns2)CC1 1301479247 XPOYMBAFKWHSRY-AWEZNQCLSA-N 418.571 1.834 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1301492030 VPFBKPKACSBJBE-QGZVFWFLSA-N 423.521 1.276 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1301498800 UETUBJYSOJHSIZ-CQSZACIVSA-N 413.438 1.076 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301500322 KXXNPFMCGHLHIJ-JKSUJKDBSA-N 420.514 1.189 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1301500558 NLXHJHLPLVWAND-FUHWJXTLSA-N 415.469 1.801 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1302971012 PQIRYSWWZDQACL-WMZOPIPTSA-N 414.485 1.689 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCn2ncc(I)c2C1 1303997778 WLTGABIYFZROTO-UHFFFAOYSA-N 409.187 1.424 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)OCC(F)(F)F 1308005512 JPSZWDSJTNMKJB-UHFFFAOYSA-N 413.356 1.881 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 1325227608 HOYAPIPBGBKJDF-SNVBAGLBSA-N 417.281 1.746 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 1330360552 ZNKCIJSGUCJKOZ-ISLYRVAYSA-N 422.438 1.221 30 10 HDEE COc1ccccc1N=C1SCCN1C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1349116404 ADRDXCMVXIGNDQ-UHFFFAOYSA-N 420.516 1.776 30 10 HDEE COc1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1OC(F)F 1349462261 DZLYIIDUCJQOHE-UHFFFAOYSA-N 407.377 1.909 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)C 1358897172 UWJVRUOUTXNZSD-AWEZNQCLSA-N 402.524 1.500 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1358960554 HBVZXOHCAZLGJR-INIZCTEOSA-N 414.535 1.798 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1359133838 AVRVAZBATTYOAW-CVEARBPZSA-N 401.515 1.937 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359213868 JYNAMMMKECSOGT-QGZVFWFLSA-N 412.542 1.738 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C)C1CC1 1359246776 LEGQFAWLKQLMSI-AUUYWEPGSA-N 411.572 1.984 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1359266042 RIQSFURUEVVZIB-UHFFFAOYSA-N 400.527 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359329575 NPQQECDGSZUHOW-JKSUJKDBSA-N 418.475 1.660 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1359333281 SRLJPBJNYJJFOD-MRXNPFEDSA-N 411.572 1.572 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1359469466 FLRBVXQIXPQNNW-AWEZNQCLSA-N 413.507 1.638 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCCCC1 1360680363 AFDSSAXWXDMHMB-XJKSGUPXSA-N 414.507 1.025 30 10 HDEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)CCc1c(C)nc(O)c(C#N)c1C 1436525936 IBNFQGBAOZMSLZ-UHFFFAOYSA-N 408.414 1.980 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1440438871 RWICISDWIZAYMC-GOSISDBHSA-N 407.536 1.607 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3oc(O)nc3n2)cc1 1441662673 DTESONHUAAKALR-PXLXIMEGSA-N 415.431 1.994 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1=O 1452499143 OEGYTVHFKCCOJJ-BAGYTPMASA-N 423.561 1.928 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1460221222 HNKLTCBTGAIQSP-HFTRVMKXSA-N 423.560 1.765 30 10 HDEE C#CCC1(NCCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCC1 1460814462 DFOSMQHMZYXGEB-UHFFFAOYSA-N 419.547 1.806 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1465587909 MMPBGHXJBXEXMJ-KBPBESRZSA-N 414.384 1.672 30 10 HDEE C#CC1(O)CN(C(=O)N[C@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1469064853 SJYOWJAPGIITDB-LJQANCHMSA-N 414.483 1.578 30 10 HDEE C#CCN(C(=O)N[C@H]1CCC(=O)N(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1470591288 WGYISKCSTABYSW-HNNXBMFYSA-N 406.483 1.178 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](NC2CCOCC2)C1 1471636076 GXBZYSLYZFYCDB-LJQANCHMSA-N 410.522 1.910 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2nccn2C)C(F)(F)F)cc1S(=O)(=O)NCC#N 1472439103 WBKHIUYHXJLLSZ-CYBMUJFWSA-N 415.397 1.564 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccccc1C#N 1473543193 IEOHBPMGBYRCML-MRXNPFEDSA-N 407.492 1.328 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@H](O)c2cccc(C#N)c2)C1 1473689549 JHWDHDMYUBNFTB-KRWDZBQOSA-N 400.479 1.403 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H]1COCC12OCCO2 1478796614 BSFJEIKUBQLTQV-KRWDZBQOSA-N 415.494 1.201 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1507600265 DDXJUMBJJXEJTG-INIZCTEOSA-N 418.567 1.458 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1507615763 BBVXRYBZUQMALF-BBWFWOEESA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507622874 MOWPMISFFYOGEE-HOTGVXAUSA-N 423.583 1.581 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507623730 WGUUKRDXTVZQEV-HNAYVOBHSA-N 422.576 1.997 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1507691116 YBLHFJHRHDCHOK-GOSISDBHSA-N 417.535 1.936 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508093171 BJJNOXHMZHHZRZ-DLBZAZTESA-N 400.527 1.560 30 10 HDEE CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1508231724 IBFXFCURRNTLLJ-AWEZNQCLSA-N 411.466 1.084 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOCC2CCOCC2)CCO1 1521130262 UEFXAEMKJVSIQR-QZTJIDSGSA-N 405.499 1.344 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1COCCO1 1521149119 PILRDFJPRXTBFA-QGZVFWFLSA-N 402.499 1.450 30 10 HDEE Cn1nc(C(F)(F)F)cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1533629292 ZMXYCIAZQJQPMS-UHFFFAOYSA-N 401.370 1.883 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 1534443530 BAZVQSKUOSHNHZ-GXFFZTMASA-N 405.398 1.341 30 10 HDEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C1CCN(C)CC1 1538303378 MRLOMFCFAPRAOT-UHFFFAOYSA-N 409.527 1.782 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1539044481 BHZMTOYUPGOAFL-UHFFFAOYSA-N 402.543 1.476 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539085732 RDHAWWXXWJOTGM-GOSISDBHSA-N 414.554 1.617 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539218990 AWQLWUXZEHMNQF-DLBZAZTESA-N 422.551 1.452 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCOC2)CC1 1539432202 ZNERRHCBRHCIRI-KNQAVFIVSA-N 417.554 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(CC)C2)CC1 1539476032 QZYDJVFRAZWLHR-SFHVURJKSA-N 421.549 1.648 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](F)COC)CC1 1539482088 RBZKOUBJFWPHHI-SJORKVTESA-N 407.490 1.122 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1539499309 HZQJSOJMQUAFBL-UHFFFAOYSA-N 403.508 1.508 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1539705164 QMGRZMRHLCKHJZ-DLBZAZTESA-N 423.583 1.745 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539744634 RRNPYFNZIKIYSY-DYESRHJHSA-N 418.542 1.123 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1540048209 RSLOJBMEEMOJQN-ZDUSSCGKSA-N 423.495 1.318 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCC)CC1 1540876044 GBNUGYFLBWPCOV-QGZVFWFLSA-N 418.542 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@H]1CC 1540906896 GBSBXAOMUHFLPC-JKSUJKDBSA-N 409.556 1.626 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1541112476 HVLRZJOGHCFXKC-ZBFHGGJFSA-N 405.466 1.454 30 10 HDEE COCCN(CCN(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1543190669 PXSSTYNLDIBJQF-BQIYRTECSA-N 408.543 1.810 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1555671102 XYDHFAHHBUFZTG-XDNAFOTISA-N 407.515 1.792 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1558300700 VSQLHDKFUPDUIC-SFHVURJKSA-N 407.474 1.082 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 1559114154 KDCBXAHVEPYUHR-UHFFFAOYSA-N 410.434 1.422 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1559947188 NDFIHZVERJNTGJ-LJQANCHMSA-N 403.548 1.482 30 10 HDEE C#CC[C@H]1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1560136042 ITXJKVMDOMKXKY-OALUTQOASA-N 403.548 1.562 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)OC 1561829329 NHHBGSNXVINOQG-LBPRGKRZSA-N 405.856 1.921 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1583527324 XMDDOZLIFVNKKG-GOSISDBHSA-N 424.519 1.644 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)NC)ccc1Br)C1CSC1 1584179996 BJMCQQMKYHPHDJ-UHFFFAOYSA-N 403.323 1.548 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)on2)c1 1586519415 WLKGPMMGNJMVJL-UHFFFAOYSA-N 401.444 1.633 30 10 HDEE C=CCOCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1586935599 INQSMHYKBCCSHR-FQEVSTJZSA-N 414.499 1.653 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCC2 1587668180 USNQGYVJADWBNN-ZDUSSCGKSA-N 410.507 1.314 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588049325 FBXOPTDRVMKBEM-WMZOPIPTSA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1588065369 XQKUEMQGLTTWKO-GOSISDBHSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCC1 1588218822 DNOSJSMOIWYOIN-UHFFFAOYSA-N 408.506 1.955 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1588266395 PFMCOAGNIRLEBI-KOHRHEQBSA-N 411.572 1.943 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1588388257 ZLMWLAHVOIGUGY-IKGGRYGDSA-N 409.556 1.507 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1588457995 BHORCYPCHAEZOA-QZTJIDSGSA-N 415.542 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C\CC)CC1 1588885001 QKZNNPQHGIRGMH-YVMONPNESA-N 421.505 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCCC)CC1 1588908283 NAMYXOFFEWBLQP-UHFFFAOYSA-N 422.533 1.746 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1589060786 YTYCBDRQFSSMKG-CVEARBPZSA-N 416.551 1.187 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC 1589567889 GOVFVYSASWXMGM-MDZRGWNJSA-N 416.526 1.097 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595544961 OMBXEHBMPCPGJA-INIZCTEOSA-N 416.526 1.271 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1595550911 JMGRCVVUKPGMGK-LSDHHAIUSA-N 409.556 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2COCCO2)C1 1595739315 YVEQXZWIQDBMTM-SJORKVTESA-N 405.524 1.831 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1597331729 BXGRFJHHHDZFNB-UHFFFAOYSA-N 409.464 1.009 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)nn1 1598174424 GZLKEWHPTQZCRE-CQSZACIVSA-N 403.870 1.661 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C1 1611767403 MAVGEXFXQALTHR-SFHVURJKSA-N 403.512 1.409 30 10 HDEE CN1C[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)NC1=O 1616675191 MPNUJRDWNBVMKC-HUUCEWRRSA-N 406.284 1.182 30 10 HDEE COC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)OC 1619596146 PZRNYANMEMQJBA-HZPDHXFCSA-N 402.411 1.243 30 10 HDEE N#Cc1n[nH]cc1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1623333099 GXEOEZLIXFNXRP-UHFFFAOYSA-N 405.344 1.593 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1625825702 DSSKMHNGXIPPMF-HOTGVXAUSA-N 423.535 1.974 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CC1 1627014899 FKNRUQBOTUZAFR-SFHVURJKSA-N 420.554 1.306 30 10 HDEE C[C@]1(CCCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)NC(=O)NC1=O 1627616262 ODJAWIVLKOUPOG-OAQYLSRUSA-N 411.462 1.504 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 1627795656 QPWOWRQSMGIVCD-QGZVFWFLSA-N 414.487 1.322 30 10 HDEE CC(C)(C)OC(=O)N(CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC1CC1 1628385861 GUDRZOKSPZITSH-ZCXUNETKSA-N 406.483 1.666 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CC1 1629537184 UTLUFCUCNPFXSG-KRWDZBQOSA-N 406.552 1.227 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 1630607486 KSBDDZQZRBCUMR-BTYIYWSLSA-N 411.462 1.504 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3c(F)cccc3OC(F)F)C2)c(=O)nc1O 1634922825 LEHNTKZBVRLNIV-UHFFFAOYSA-N 409.324 1.328 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)c1 1635688716 SANQCRVJRQUZGE-LJQANCHMSA-N 402.447 1.951 30 10 HDEE CN(CCC1CCN(c2ccncc2)CC1)C(=O)CCn1cc(C#N)c(O)nc1=O 1637404557 CVFDJRXEVUDFJO-UHFFFAOYSA-N 410.478 1.371 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccnc(-n3cncn3)c2)CCN1Cc1ccccc1 1637632392 UNYJBJRTHFEINC-IBGZPJMESA-N 402.462 1.582 30 10 HDEE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1637823746 DBJICUNPMFOOMO-BLLLJJGKSA-N 412.439 1.354 30 10 HDEE COC(=O)N1CC(C)(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1638357010 CRLSVHLMKLGEMR-AWEZNQCLSA-N 422.507 1.097 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)CCNC(=O)OC(C)(C)C)c1 1640573947 LQXJUUKNWRBMNF-UHFFFAOYSA-N 409.508 1.585 30 10 HDEE COCC#CC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1641030685 VEZLYSGKRWBCKM-UHFFFAOYSA-N 411.462 1.587 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644637112 UUERGYBSJSJLEU-LRDDRELGSA-N 412.309 1.566 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 1644638385 POODFZUOEJJODE-AWEZNQCLSA-N 410.287 1.922 30 10 HDEE N#C[C@@]12CN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1648416382 ZAPSHCNNVZDUJA-GOBSUKIASA-N 407.344 1.971 30 10 HDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)n1 1651355450 YJUCTMOFLAOMSO-UHFFFAOYSA-N 411.409 1.839 30 10 HDEE N#Cc1cccc(OC2CCN(S(=O)(=O)C[C@H]3CCCS(=O)(=O)C3)CC2)c1 1662032351 BUHAUMYPJALDQN-INIZCTEOSA-N 412.533 1.556 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1 1663862381 CIOMINGUNVOULB-MWLCHTKSSA-N 416.301 1.555 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1c(C)nn2cc(Br)cnc12 1670709664 KHJCTRHOYZNGKW-GFCCVEGCSA-N 401.286 1.507 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@@H](S(N)(=O)=O)C1 1672209747 IDVBBZCSFFOVSC-LLVKDONJSA-N 404.286 1.909 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(C#N)c(F)c1)CCS2(=O)=O 1673658265 KIVCQMUXWBRITQ-HVEKOLDVSA-N 423.466 1.396 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NC3(CC(=O)OC)CCS(=O)(=O)CC3)cc21 1680802116 FGQPVZMBERIRIR-UHFFFAOYSA-N 420.491 1.854 30 10 HDEE COC(=O)[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1685122464 HFDIDBHDQFDEFO-KGLIPLIRSA-N 413.434 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1689861236 QYBGJENPCBUMAA-KRWDZBQOSA-N 422.533 1.803 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1690059031 HIAQSHZGQMMJRJ-LSDHHAIUSA-N 405.524 1.449 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1690069128 JFOPJJDPBSRSNS-XUTLUUPISA-N 420.473 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCOC2)CC1 1690113992 ZSCBVTHOVMVRSS-SIKLNZKXSA-N 417.554 1.501 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690159928 QZVKJGZFUKTKOL-AWEZNQCLSA-N 414.491 1.887 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690229844 IDAWCJADQNMSCC-CYBMUJFWSA-N 411.304 1.516 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)(F)F)CC1 1690380424 NUTIXRGEWVQJEK-UHFFFAOYSA-N 411.432 1.975 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690506282 IPJHICYOBXKCLL-UHFFFAOYSA-N 410.482 1.453 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1691888893 OZAXBPFXBMSNTH-ZACQAIPSSA-N 422.555 1.334 30 10 HDEE CCc1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694704147 ZNZGKTLFJJMPBQ-FMQUCBEESA-N 408.462 1.635 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1698447896 ONIUVSGXEAWBAY-ZRZOISBFSA-N 418.473 1.493 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CCCCN2CCC[C@H]2CO)c1 1698486310 WGKCSZLPSLPEDT-FQEVSTJZSA-N 410.522 1.890 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)C1 1698487017 YDKBBOQTCQPTAP-LJQANCHMSA-N 418.498 1.654 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705532876 GNGWZJBIXHSFOM-LJQANCHMSA-N 424.553 1.440 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1CC 1705630257 LXXYUUQWLJNPLQ-GOSISDBHSA-N 402.543 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)CCC)CC1 1705649704 FCAYDERIZPJNMT-HSZRJFAPSA-N 424.549 1.781 30 10 HDEE C=C(C)COCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1705740378 JJONMUVFXIJMFX-RTWAWAEBSA-N 419.526 1.382 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1705839389 YSTBNHIPGULVLB-UHFFFAOYSA-N 411.466 1.513 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCC(=O)NC 1705899160 JMZBZMJJYVYWFY-UHFFFAOYSA-N 407.478 1.368 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1705905118 KFPCZLHYDLHNAB-IBGZPJMESA-N 420.521 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)C1 1705922005 DNIFHUXKCZFADY-MSOLQXFVSA-N 424.505 1.352 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705940230 YRHYFRJXYCBEDY-RDBSUJKOSA-N 403.574 1.015 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(N(C)C)CCOCC1 1712522461 WHXGMYQRPJOLPI-KRWDZBQOSA-N 420.558 1.853 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722358612 JNLDWLYCGZTVJG-UONOGXRCSA-N 402.467 1.452 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](F)COC)CC1 1722437434 MVKBRQCXABJNRI-APWZRJJASA-N 415.469 1.530 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722453209 PJCJSDIUYSUWGT-GJZGRUSLSA-N 421.523 1.677 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722686136 RHSDKVKMKGPVJA-INIZCTEOSA-N 416.432 1.806 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1722692492 NXRVPKFYIFEKRC-NRFANRHFSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1722697606 MWKLGGWCOUDWNE-INIZCTEOSA-N 409.498 1.625 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1 1722698584 IEJPQIPIZUOQHH-CABCVRRESA-N 409.556 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(C)C)C1 1722719674 YMXKAYWUHIYXGA-IAGOWNOFSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2ncccc2F)CC1 1722727349 IACVTJMQLSEPKO-UHFFFAOYSA-N 422.530 1.692 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722730094 IJQQMDFGFKRXLM-OXQOHEQNSA-N 424.567 1.606 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722858760 MLWBANOQOHIKDN-GOSISDBHSA-N 424.509 1.249 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCOC1 1729351121 GCAIHXYXADRHQA-VQTJNVASSA-N 410.522 1.889 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOCC1(C)C 1730824450 KBKUZYSLKWXRRO-QGZVFWFLSA-N 420.558 1.853 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1731180377 ASUBZSSLFGICRK-HXUWFJFHSA-N 404.490 1.735 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740576156 SEPSWOWOCWUVGW-RTBURBONSA-N 415.538 1.803 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1740609043 GZJLVOCKJGVDJA-KRWDZBQOSA-N 415.519 1.482 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740616561 CNNIJQBJYNIYPS-TZMCWYRMSA-N 408.553 1.627 30 10 HDEE C#CCN(CCOC)c1nnc(COCC)n1CC1CN(C(=O)OC(C)(C)C)C1 1740687902 IKFLKNCZAPALHH-UHFFFAOYSA-N 407.515 1.768 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCCc2ccccc2)CC1 1740695781 DBEQUYOIAWXCTO-UHFFFAOYSA-N 422.577 1.981 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740720997 UGKCFBRVTWSKHD-LJQANCHMSA-N 407.547 1.807 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1740858481 RKGZVHVQDBOUEY-OAHLLOKOSA-N 412.560 1.303 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCc2oncc2C1 1740962964 VCSPFISJHNFZOO-UHFFFAOYSA-N 422.489 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740988544 IPPIRODKBBFAGV-LJQANCHMSA-N 403.508 1.248 30 10 HDEE CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741115079 LVXBQZATATWORC-IBGZPJMESA-N 407.522 1.956 30 10 HDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1741754717 SOOFKOCLOISKJY-UHFFFAOYSA-N 412.494 1.822 30 10 HDEE CCc1nc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)cs1 1744488719 VWDPKXTYETYASJ-OAHLLOKOSA-N 417.539 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1748667641 XNVWGPVTDHBZIZ-CQSZACIVSA-N 402.524 1.513 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1748931221 QINKOHRUMZLFBM-UHFFFAOYSA-N 400.508 1.411 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1749488758 LWFYRDCDNKHGEA-OAHLLOKOSA-N 409.556 1.594 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1)C1CC1 1749519046 DTWIMLJDOPTRCA-OAHLLOKOSA-N 403.508 1.787 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1749670922 XDMUVKHFMURTGI-KRWDZBQOSA-N 402.543 1.396 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)C#N)CC1=O 1749860864 BGKRDJREHIHAJN-SJLPKXTDSA-N 421.505 1.908 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760099033 BWLWHBUZLATBDY-OPAMFIHVSA-N 413.522 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760117931 VXJFXOOJABLQQC-LLYLOPHFSA-N 406.552 1.579 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1CC 1760165867 IPDILBAUAMYIFM-UHFFFAOYSA-N 403.288 1.775 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760192561 JXRCVIOVPMFXEO-KRWDZBQOSA-N 418.519 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1CCc2sccc2C1 1760193625 KGHLKSIORLWLJX-UHFFFAOYSA-N 410.547 1.609 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760325694 RSNFBMMFMZHGMH-POAQFYNOSA-N 410.522 1.912 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1760375271 JDLYIPIIBREWAX-MRXNPFEDSA-N 411.934 1.904 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1760430200 BQCVKGFCSLVDAH-JXFKEZNVSA-N 404.515 1.500 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760451303 FGNRXYQVZUQECS-MRXNPFEDSA-N 404.515 1.542 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H]1CC 1760517988 DRCLMDXHZJITPD-MAUKXSAKSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760523379 WMEAYIWWAOHCKH-KRWDZBQOSA-N 421.509 1.692 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760524218 RWPORJFUTNDORS-SJORKVTESA-N 418.542 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2ccccc2C#N)CC1 1760550931 OEGVRQZGVCAIBL-UHFFFAOYSA-N 414.535 1.776 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760559015 HPRXLDFZBKMOJY-OXQOHEQNSA-N 421.567 1.818 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1761042631 RVCYMBNISURAHQ-JKSUJKDBSA-N 412.485 1.561 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1761211277 LYHLNQNTOBNYRL-JXFKEZNVSA-N 402.499 1.494 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)n(C)n1 1762397460 GESJGTDEPQFGAV-OAHLLOKOSA-N 404.478 1.574 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)NC(C)(C)C)CCOC1 1765817373 DKVFKCDNNNCXLR-MGPUTAFESA-N 406.531 1.831 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1768585578 SVPUWSWTKNQKTC-SJLPKXTDSA-N 410.478 1.079 30 10 HDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1769202670 AJOLWSGAGZZJES-DNVCBOLYSA-N 412.494 1.441 30 10 HDEE COCCCN(C)CCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1C(C)(C)C 1769704814 LIWAJUHNSFNAMP-GOSISDBHSA-N 403.575 1.720 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCCC1(C)C 1769844767 DGZSCBGVHLDNBW-FOIQADDNSA-N 404.515 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 1770202302 ORQWBZKTIAQVID-BOSXTWCSSA-N 423.489 1.640 30 10 HDEE CS(=O)(=O)CC1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1771352229 HUHMKJSILWMTKR-RDTXWAMCSA-N 411.503 1.439 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1772564487 DKMJZMOOFKCYPF-AWEZNQCLSA-N 406.556 1.709 30 10 HDEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1772887903 UWDLMQDXCWKRTC-UHFFFAOYSA-N 420.315 1.874 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCN(C)C1=O 1849165638 GHNZIRLMINPXPD-SFHVURJKSA-N 405.520 1.333 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)CC1 1849791361 YZANKZNUIOVKEL-UHFFFAOYSA-N 415.457 1.311 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCCN3CCC(C#N)CC3)CC2=O)cc1OC 1850033674 HDCJLUUHHNAEGI-INIZCTEOSA-N 400.479 1.408 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC#CCN3CCCC3)cc2)CC1 1850074217 CVKRSRVLOGQBFM-UHFFFAOYSA-N 403.548 1.936 30 10 HDEE O=C(CS(=O)(=O)c1ccc(F)cc1)NCC#CCN1CCc2ccccc2C1 1850259350 HENWSVCIUZKLJV-UHFFFAOYSA-N 400.475 1.777 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)cnc2c1C#N 1851790745 APNBNBRPKXYINX-UHFFFAOYSA-N 402.462 1.848 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1853696197 LLVCOKREZXCJOX-YOEHRIQHSA-N 423.922 1.656 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccc(C)c(C)c2)C1=O 1853827398 BOOIGLYNNZQFJM-PMACEKPBSA-N 413.518 1.919 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2=O)c1 1853895724 SKJVGCHLBINOQS-UHFFFAOYSA-N 419.409 1.651 30 10 HDEE COc1ccccc1OCC(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)CC1=O 1853935433 KVFDXNKSTKOVFA-UHFFFAOYSA-N 407.426 1.499 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2cccc(OC)c2)C1=O 1854101977 ZZCQFUBNUORBJK-PMACEKPBSA-N 413.518 1.864 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854718987 MQHJYHXYAFUMNK-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCCc4nc(OC)ccc43)CC2=O)CC1=O 1855610864 JRTPQLNKFNUINK-CVEARBPZSA-N 412.490 1.252 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(=O)o1 1856081871 UCTPNKUDFJCHBG-UHFFFAOYSA-N 402.428 1.566 30 10 HDEE C[C@@H]1CN(CCCC#N)c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C1=O 1856133167 CFAKDVJHECLUFM-OAHLLOKOSA-N 404.492 1.342 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](CN2CCC3(CC2)C[C@H]3C#N)CC1=O 1857223268 FKYVERFUDNOTEO-CVEARBPZSA-N 415.515 1.704 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@@H]1CCN(C)C1=O 1857265129 SWVJMUIJEWNRMM-RHSMWYFYSA-N 403.454 1.542 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(OC)c(C)c2)C1)[C@H]1CCN(C)C1=O 1857283724 IPMBAUVQGNQRTG-MOPGFXCFSA-N 413.518 1.640 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(Cc3nnco3)c3ccccc32)CC1=O 1857318853 KVHDBPWWWJIQIX-HUUCEWRRSA-N 409.446 1.763 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(CCc2ccccc2)C3=O)c1C#N 1865876709 BQUGTYAPLFSEAR-UHFFFAOYSA-N 424.420 1.860 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867019838 OQLZYSLKBXKWDQ-SFHVURJKSA-N 417.462 1.798 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1C[C@@H](C)O 1870543542 ACGRPDMDZOAUTO-MJGOQNOKSA-N 419.522 1.077 30 10 HDEE C=CCn1cc(OCC(=O)OC2CCCCC2)c(=O)cc1CN(CCO)CCO 1870573088 HSOCIBDACSVVHL-UHFFFAOYSA-N 408.495 1.076 30 10 HDEE COCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)ccc1O 1874470721 OHHIVXVPHLNEKX-REZTVBANSA-N 414.285 1.395 30 10 HDEE N#Cc1cccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 1882810557 KFXKIFCVHGSRLB-KRWDZBQOSA-N 417.443 1.638 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@@H](OC)C[C@H]1CNC(=O)OC(C)(C)C 1982284021 VTHNIUODGXEFPP-RYUDHWBXSA-N 413.334 1.839 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 2010399012 XUBKKCUPHHROEC-UHFFFAOYSA-N 423.363 1.994 30 10 HDEE C#CCN(C(=O)C(F)(F)CNC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 2059560052 PRUBTXGHVUZWGQ-OAHLLOKOSA-N 414.430 1.197 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2118167636 PHFWRCOESNSVLH-GOSISDBHSA-N 415.471 1.874 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)CC1 2174783872 HPYITEHDFNSDRJ-CQSZACIVSA-N 404.508 1.796 30 10 HDEE COC(=O)CCS(=O)(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177630998 KCCLFVCCUWUZHU-LLVKDONJSA-N 403.331 1.591 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@@H](C(=O)O)C(C)(C)S)OCC12CC2 2195307094 NWGORYDDKHXDFU-AAEUAGOBSA-N 402.513 1.823 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2195308011 LWEXJHNPDPWFFH-VNBZBWLYSA-N 402.513 1.538 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(F)(F)C[C@@H]1CC#N)C1CS(=O)(=O)C1 2234013426 CZLUKWNRBYSPMR-NWDGAFQWSA-N 407.439 1.074 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243405298 DDHYAXIWWCBEIK-CABCVRRESA-N 403.288 1.776 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CO1 2243405800 NEIRHYUKONLTBP-LBPRGKRZSA-N 408.260 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2243677460 WOAKUBLEMVTWAF-LLVKDONJSA-N 424.332 1.501 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247817268 LKUHKQYUMISVDU-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE CCn1cc(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247838926 PGCREYZAVMNGBW-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247838946 PROJCTHNGKTOAT-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248405789 WWQSTKHCVBTUNV-WFASDCNBSA-N 421.303 1.593 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258170364 MIQGACWDHXUWED-KRWDZBQOSA-N 410.492 1.677 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@@H]4C[C@H]43)cc2Cl)OC1(C)C 2267352156 BNDATWLKCBXHOE-GHMZBOCLSA-N 404.750 1.436 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[S@@](C)=O 2267376307 TZGZFMGEAQSQDW-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CN(Cc1ccccc1I)S(=O)(=O)N1CC[C@H](C#N)C1 2280313701 CJEDWGRYHMFGNX-LLVKDONJSA-N 405.261 1.813 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3COCCOC3)cc2Cl)OC1(C)C 2282305576 ALKBHHYAZGBJIC-UHFFFAOYSA-N 423.749 1.394 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H](O)C1CC1 2282327805 NZQKZSYZWNPCGI-CYBMUJFWSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3COCCCO3)c2)OC1(C)C 2282339085 RUDFGXIDYLVHFR-ZDUSSCGKSA-N 403.331 1.131 30 10 HDEE CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344479 VVBHYFWOLUNYQD-JTQLQIEISA-N 414.280 1.557 30 10 HDEE CNCC[C@@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282494881 DRPUFOQPANVCDS-LLVKDONJSA-N 402.391 1.940 30 10 HDEE COCCC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282509841 QCSCUKPAGSXPHM-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE CO[C@@H]1CN[C@@H](CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282640248 KZUSRTANBHEQOP-MNOVXSKESA-N 400.737 1.807 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H]2C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282830391 TVAJHIQCRDTFLX-BETUJISGSA-N 401.359 1.795 30 10 HDEE CN(Cc1cnsc1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833308 GQTQXZGSCVENMT-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE C[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848484 NZKQYXHTHUGARG-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE COC[C@@](C)(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282857966 PPDUEQVLCDFYFH-MRXNPFEDSA-N 405.347 1.377 30 10 HDEE CN(CCN1CCCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877522 SIGLFAHHPVPNQQ-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3C[C@@H]3C(=O)O)ccc2Cl)OC1(C)C 2284393481 LLCXPDIKFSJWKQ-GXFFZTMASA-N 401.677 1.391 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)OC1(C)C 2284397976 SDSNFSLPSKBVNQ-GHMZBOCLSA-N 401.315 1.579 30 10 HDEE CC[C@](C)(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414028 DFPCQHHXRHUPPB-MRXNPFEDSA-N 403.331 1.827 30 10 HDEE COc1ccc(S(=O)(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 2323404177 FSXMIEKRIOWQJT-UHFFFAOYSA-N 411.392 1.639 30 10 HDEE C=CCCCO[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 2333311055 RUZLEKUIXNODKZ-LFDJNIOPSA-N 416.423 1.052 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 2342050904 IECUDOGDUPNCDS-CABCVRRESA-N 402.582 1.898 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 2365206009 WJPYCJSSQIVMSZ-QMTMVMCOSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)NC[C@](C)(C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367784269 ALRLZDASRHTZAK-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367784298 AQRKJPQUQBVYQM-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789434 DCQIDBJGACRJJM-UGSOOPFHSA-N 401.481 1.484 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792627 QECMRGWJFWAJFI-OWCLPIDISA-N 400.541 1.604 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2367798913 VOHYXJALUCMUGD-DNVCBOLYSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367808594 DVZHUBDCQCVKBL-CRAIPNDOSA-N 400.541 1.163 30 10 HDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367810752 ATELNHNPKCUDPM-CLCXKQKWSA-N 400.541 1.292 30 10 HDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NC2CCCC2)n1 14156429 WHYLBMLGMVKCRA-UHFFFAOYSA-N 419.599 1.990 30 10 HDEE CCn1c(=O)[nH]c2cc(/C(O)=N/S(=O)(=O)c3ccc(F)c(F)c3)ccc2c1=O 66004204 BKUSUHNQUZEJPI-UHFFFAOYSA-N 409.370 1.681 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)N3CCC(C)CC3)o2)c1=O 101350898 GNWBDPRVRSQLHQ-UHFFFAOYSA-N 419.507 1.355 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2ncc(I)cc2=O)c1 158567071 IBABTSCRTZUCJO-UHFFFAOYSA-N 415.212 1.193 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1=O 409910182 LEAKKKYDPWUYSZ-SFHVURJKSA-N 403.446 1.398 30 10 HDEE Cn1ccnc(N2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)c1=O 435127805 AJMIZLLLEMTTFH-UHFFFAOYSA-N 404.478 1.275 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1S(=O)(=O)NCC#N 435996698 QORQGMQYPNLAMX-GQIGUUNPSA-N 421.519 1.596 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)O)C[C@H](OCC)C2(C)C)c1 439714392 BHTRTGSQDKRFGX-KXBFYZLASA-N 410.492 1.539 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 501974696 ULHQFKSDGZAZMM-UHFFFAOYSA-N 421.475 1.463 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(Cc2cnc3ccc(C#N)cn23)CC1 536664241 ISMMYAQYATWGCH-UHFFFAOYSA-N 404.474 1.971 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N=c2nc(-c3cccc(OC)c3)[nH]s2)CC1 542685805 BWNHHBHPUWVATH-UHFFFAOYSA-N 416.507 1.087 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)[C@H](C)O)cc1 543715470 NSPRCEDMXBIIKC-VHSSKADRSA-N 405.451 1.543 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 546169998 YAJZXNYJXCBPLU-VFNWGFHPSA-N 410.478 1.103 30 10 HDEE Cc1sc2ncn(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)c(=O)c2c1C 546876055 YYAUXSXWGVIWAG-UHFFFAOYSA-N 408.487 1.690 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 549273953 JEDZSXVOWCAYIM-DNVCBOLYSA-N 410.540 1.531 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2[C@H]3CC[C@H]2[C@H](CO)C3)CC1 570858291 MHEJYWIAKHPDCC-ZOBUZTSGSA-N 411.462 1.300 30 10 HDEE CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586859305 YXYYQPMBBNMWGH-OAHLLOKOSA-N 402.470 1.714 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCC1 589228828 SSDAIBAYXSCFTH-QGZVFWFLSA-N 423.560 1.867 30 10 HDEE C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 598930236 JNQDCRPPUHXPQW-MJGOQNOKSA-N 421.501 1.762 30 10 HDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCc1ccc(C#N)cc1F 609229147 WAFGKPPOCQPMMX-UHFFFAOYSA-N 400.435 1.908 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccn(CCC#N)n2)c1 609789804 AIAIKQLFWUTJQY-UHFFFAOYSA-N 416.507 1.900 30 10 HDEE CCCCn1c(N)c(N(CCOC)Cc2ccc(OC)c(C#N)c2)c(O)nc1=O 610994469 RNBGGAUXIRVGKD-UHFFFAOYSA-N 401.467 1.864 30 10 HDEE CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 611795706 DXZRBYCYZGMTPK-UHFFFAOYSA-N 413.908 1.940 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(I)cn2)c(F)c1 618486303 LHWRTEYCMKXOBI-UHFFFAOYSA-N 424.173 1.952 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCS(C)(=O)=O 729674389 GGYHJXMQZGXACF-UHFFFAOYSA-N 418.540 1.073 30 10 HDEE N#C[C@@H](C(=O)/C=C\c1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 732911219 YBUGPAFYJFYVNQ-DGWOPVBCSA-N 401.238 1.021 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(CC(=O)OC)cc2)c1 733312646 GIRBRNIBDCPYFZ-UHFFFAOYSA-N 400.456 1.643 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)CCCc2ccccc2)CC1 742399682 OOZDXMJZRALWLE-UHFFFAOYSA-N 412.515 1.877 30 10 HDEE COc1ccc(CNC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 746742092 ORVSOEBYOQYAIQ-UHFFFAOYSA-N 417.510 1.919 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)c1 761074178 SIHDAZHCMYEQAG-LBPRGKRZSA-N 424.392 1.931 30 10 HDEE C#CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 778999296 DBONRTIZCJMJJZ-CYBMUJFWSA-N 418.418 1.870 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 780204282 FRLNFDPYNMOVJD-OAQYLSRUSA-N 407.426 1.578 30 10 HDEE C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 784925805 HYPZSHUFDZGKHZ-QGZVFWFLSA-N 402.472 1.063 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(S(=O)(=O)CC)CC2)CCCN1C(=O)OC(C)(C)C 790551372 YAGRZQDHZCWCSG-LJQANCHMSA-N 415.556 1.826 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 794449854 KAUCRRBWHPCNCK-HIFRSBDPSA-N 407.540 1.888 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 809918376 YFEVSBJUEZOTRM-INIZCTEOSA-N 407.515 1.981 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)C2(COC)CC2)CCCN1C(=O)OC(C)(C)C 811154272 AYEPIOPXPKESKE-SFHVURJKSA-N 402.513 1.957 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCCNS(C)(=O)=O)C1=O 914541567 WRDXNFUMNSWWFC-AWEZNQCLSA-N 412.537 1.002 30 10 HDEE C[C@@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)N(CCC#N)c1ccccc1 915402031 BOXRDULKJXJEBH-OAHLLOKOSA-N 420.425 1.981 30 10 HDEE C#CCN(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1125884181 RZMQVFHFWWDJNS-CYBMUJFWSA-N 419.453 1.902 30 10 HDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1135920814 AYIICCAAQHQDJQ-CYBMUJFWSA-N 419.323 1.675 30 10 HDEE Cc1cccc(CS(=O)(=O)CCC(=O)N(CCC#N)CCN2CCOCC2)c1 1136457864 HPZOWOKTOAKCRY-UHFFFAOYSA-N 407.536 1.374 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](CCCC)NC(N)=O)n1 1136554290 YSSMGBNZFCGRCD-NSHDSACASA-N 409.541 1.966 30 10 HDEE N#Cc1cccc(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)c1Br 1136897110 KGQXYTNEIJTOEW-UHFFFAOYSA-N 418.251 1.628 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1141570271 GMRAXIWTJUGIFE-GJZGRUSLSA-N 418.450 1.389 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)[nH]1 1146464476 IKTUBZCLOKOWFI-WCQYABFASA-N 414.384 1.880 30 10 HDEE C#CC[C@]1(C(=O)N2CCN[C@@H](c3cnn(C)c3)C2)CCCN1C(=O)OC(C)(C)C 1150584785 RDBPNWJBYMINNW-DYESRHJHSA-N 401.511 1.686 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1155513354 FTLCTSGKADXHAQ-UHFFFAOYSA-N 413.540 1.177 30 10 HDEE C#CCn1cc(CNC(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)cn1 1156661926 PACAZESIBNQLIH-UHFFFAOYSA-N 423.477 1.556 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)c1 1178482235 ZYIQUQOUJGGWIZ-SANMLTNESA-N 406.485 1.904 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1181000114 KXDCBLKOUBZZDL-GXTWGEPZSA-N 417.466 1.287 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)[C@@H]3C[C@H]3c3cccc(F)c3)CC2)c1C#N 1189271635 BIALZSJLXYHPBV-FUHWJXTLSA-N 403.483 1.747 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(S(=O)(=O)NC(C)C)CC1 1194292722 WSYKSSRQLHCIKY-MRXNPFEDSA-N 414.597 1.512 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 1221490521 GDJUQIIFUAKLOR-IBGZPJMESA-N 405.520 1.699 30 10 HDEE C=CCN1CCC(NC(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 1221807992 JNVHFPWCOMXFLT-UHFFFAOYSA-N 410.316 1.524 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286342781 DXXOVBCTRQLOMU-OAHLLOKOSA-N 408.466 1.792 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286345222 LZIFSRDIZMBMFP-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286384694 JPTCXUJKUKOBLN-MOPGFXCFSA-N 419.526 1.655 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1286388784 BRMMLZHYLFJBQV-INIZCTEOSA-N 416.532 1.415 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)nn(C)c2C)CC1 1286474364 DMRHFSOWMRAVIR-UHFFFAOYSA-N 414.517 1.971 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCn2cc(Br)cn2)CC1 1286478822 GWTVAIDTNFGLIY-UHFFFAOYSA-N 418.343 1.960 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286766476 RAPXJFMNNIVQOX-INIZCTEOSA-N 423.539 1.767 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(O)c2)C1 1286809009 GBGFXQZHKDFZAB-AEFFLSMTSA-N 418.519 1.715 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1287752656 PVYFYGKOLKQQKM-UHFFFAOYSA-N 420.525 1.672 30 10 HDEE N#Cc1c(CCCNC(=O)c2cnc3cccnn23)nn(-c2ccc(F)cc2)c1N 1290812038 CVDKHAQUUXRWDS-UHFFFAOYSA-N 404.409 1.871 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1290880546 IOFIEOAVAHUZRK-MWDXBVQZSA-N 418.498 1.340 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1293712936 MAXWTXCLRCJKII-UHFFFAOYSA-N 403.548 1.563 30 10 HDEE C#CCn1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cn1 1297369889 NNHPVPWFYNARGI-CYBMUJFWSA-N 412.924 1.701 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1298310511 UGRPTPWHMWWNGX-MCIONIFRSA-N 424.523 1.643 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCC3(CC2)CCN(C)CC3)c1 1298496095 RPWLURLBJCQDSJ-UHFFFAOYSA-N 403.548 1.983 30 10 HDEE Cn1cc([C@@H]2C[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCO2)cn1 1298555480 XCNSLRSAOCLCEU-DYVFJYSZSA-N 406.439 1.507 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)c1 1299964561 MWGPDHPZNLNRPY-QGZVFWFLSA-N 403.504 1.707 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1300324423 FAMSOBDWHNMFTN-INIZCTEOSA-N 415.469 1.703 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300493511 VUHPXNNHEQVCHO-UZLBHIALSA-N 417.535 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccc(F)cc1 1300506816 ZUCWLRSAEOTTKY-JOCHJYFZSA-N 409.465 1.634 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCn2cc(Br)cn2)CC1 1300710018 PCBGEKZKBSKKEJ-UHFFFAOYSA-N 422.331 1.229 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(CC)CC)CC1 1300726858 RZMYXDGKSQGZQM-MJGOQNOKSA-N 416.570 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=C)Cl)CC1 1300729315 VJBKRXAHENLACZ-UHFFFAOYSA-N 415.929 1.858 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1300778691 DSTOQXGJTRMIBJ-UXHICEINSA-N 412.519 1.786 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 1300801489 QXTVGYHAUHPGFB-VGOFRKELSA-N 406.490 1.563 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)OC 1301011115 ASZLWSZVQHOQDA-KPZWWZAWSA-N 406.418 1.109 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301491561 LBXUNEXWVTXSJP-SFHVURJKSA-N 421.505 1.471 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCCC1 1301492330 FDVAPJZOMLFRMQ-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C)C1 1301514255 HMAFYYFKDOPJRU-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COCC)C1 1301578488 CBNGWVDCATULLL-OAHLLOKOSA-N 408.528 1.142 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1301596312 LBXDCLAMCDHEFU-UHFFFAOYSA-N 408.528 1.414 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1301967696 FSTJTTWPCDWQAU-TZMCWYRMSA-N 408.915 1.873 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1301968786 PRRHHTSLFWBLPC-ZVGUJKQYSA-N 410.478 1.865 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCNc2ccccn2)CCO1 1303003343 GLLLQEFJXOCKRS-GOSISDBHSA-N 404.478 1.890 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3n[nH]c4ccc(Br)cc34)C2)c(=O)nc1O 1305591143 VMLIUPLNZOFPMA-UHFFFAOYSA-N 415.207 1.156 30 10 HDEE CC(C)(C)OC(=O)C1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1312311716 DEWGWVALRTZPLO-XPQSHANDSA-N 411.524 1.467 30 10 HDEE C#CCN(C(=O)NCc1cn(C)c(=O)nc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1313437452 RTHLUMMMXAUALP-UHFFFAOYSA-N 419.482 1.030 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)cc1 1316100862 BRKRAFKLIJWPGS-GOSISDBHSA-N 412.494 1.686 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)C1 1320061020 UHUTUCUUDQXIHL-KRWDZBQOSA-N 402.495 1.892 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(CC#N)CC1 1326942991 DWCLLRZKHUREQQ-HNNXBMFYSA-N 411.911 1.683 30 10 HDEE CCc1c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nnn1Cc1ccc(F)cc1 1349462672 HHXYQPGOCXMOBY-UHFFFAOYSA-N 424.440 1.712 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1358928323 ZXYSUJHOJHROKQ-LJQANCHMSA-N 420.517 1.995 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)[C@H](C)CC 1358946115 JJYSGGKKEWUGSL-MRXNPFEDSA-N 407.522 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](c1ccco1)N(C)C 1358968224 CQSPBMDQBIYKTM-KRWDZBQOSA-N 417.473 1.894 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1358971424 UUERPZQLLUKYGU-HNNXBMFYSA-N 418.295 1.534 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1 1358971787 IXIPTGMORJJUCU-UHFFFAOYSA-N 421.461 1.221 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359018685 YVXPQIFXUMJOLT-ROUUACIJSA-N 423.583 1.692 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1359023638 QJINLOBDQVKBNA-SFHVURJKSA-N 424.505 1.054 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2ccco2)CC1 1359034974 IAZINOPADIXDFW-KRWDZBQOSA-N 412.494 1.298 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359135281 YEHBEGAOOJSOAW-HXUWFJFHSA-N 423.521 1.959 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1359237784 MSNZNVWUFGPMIS-UHFFFAOYSA-N 421.553 1.908 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359331388 XBFQMEBOKMWYEV-YOEHRIQHSA-N 418.523 1.340 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1360338327 BOLVBRLCGYVRPS-HSALFYBXSA-N 420.489 1.239 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 1450329310 QRYAJEZTAZOXMJ-AYBZRNKSSA-N 408.520 1.549 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@H](c2ccc(F)cc2)C1 1455440117 CMZXCJJAYGDVEA-KUHUBIRLSA-N 416.478 1.537 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cc(F)cc(F)c1 1456197308 QEFCOOCEANFQBZ-NSHDSACASA-N 407.398 1.502 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 1457166439 ABQYEBRBKDDPGJ-SJCJKPOMSA-N 407.442 1.917 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1459784383 CURJFDGEVBRQLI-MRXNPFEDSA-N 400.397 1.683 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1461819163 ZSSVKTVGPYQGLF-LLVKDONJSA-N 407.215 1.752 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 1462781322 GLYZVTVGTCRDHN-LJQANCHMSA-N 400.504 1.663 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21 1469876574 HRVRHUREJXVIEL-UHFFFAOYSA-N 419.503 1.384 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 1470149075 ZPVQATBMTFSJDU-IFXJQAMLSA-N 417.462 1.964 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nn(C)cc1O 1472236000 DBHSZGDNTIHEOG-OCCSQVGLSA-N 419.507 1.456 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC(=O)N1C 1494253601 RVGKLDONMGCFBH-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cncn1 1495774287 LYSZFLHOCZEMRW-MRXNPFEDSA-N 406.498 1.677 30 10 HDEE CCCCOCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1500646812 WJLWFXCPGYCTLJ-PXNSSMCTSA-N 407.515 1.864 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1504755862 UMQVBRBEAGWWCJ-MOPGFXCFSA-N 420.445 1.235 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1505082304 OXJFHPIBJXSFRO-ZSZGWDQASA-N 423.539 1.032 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2(C)COC2)n1 1507716190 IFNGKJBVWBCLRJ-UHFFFAOYSA-N 421.505 1.859 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1507753723 QYBFUZVIRYZFCC-INIZCTEOSA-N 401.540 1.221 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1507844467 KJJHLVDRJJFDDO-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507955423 YMIZFQZXIINLFZ-KRWDZBQOSA-N 402.543 1.539 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1508020081 NMVDLCUGUNDLQM-JKSUJKDBSA-N 409.556 1.836 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508075079 SPFIMBKZDITMIB-HNNXBMFYSA-N 423.926 1.524 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1508092414 PPVXGQFWRJUNBI-UHFFFAOYSA-N 424.505 1.279 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1508422905 FNDCHZHZRCHMAC-GJZGRUSLSA-N 420.514 1.707 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508807329 WOZZCSUQHFKBAP-ZWKOTPCHSA-N 415.542 1.468 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1509953183 KSLSQPUNSWNGNG-ZACQAIPSSA-N 422.555 1.706 30 10 HDEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CCO1 1513594723 FPDOBRXIJWYGHU-NRFANRHFSA-N 412.494 1.870 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1519190489 CNUBLBRJZMKZMD-HRAATJIYSA-N 411.510 1.898 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)CC1 1524478395 UCYAFYRIXZXBBT-KRWDZBQOSA-N 420.307 1.614 30 10 HDEE CCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 1527274818 YCBOGKVOLGEZLL-NNLSSIJJSA-N 406.508 1.696 30 10 HDEE N#CC1(CC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCOCC1 1531642049 IPZXWLBWLUDORE-UHFFFAOYSA-N 401.492 1.111 30 10 HDEE CCC1(CC)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)C1=O 1533847374 MADNBEDKXNLQLC-UHFFFAOYSA-N 417.491 1.573 30 10 HDEE C#CCCOc1ccc(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc1 1536920976 CAGGVOSUNSGDTI-UHFFFAOYSA-N 413.474 1.650 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539223240 ZRFSZJFLUPAIBN-SJORKVTESA-N 406.552 1.989 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1 1539631361 KYBXYPUFBHYUSW-IKGGRYGDSA-N 405.499 1.652 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1540133401 FQCHBRDLVKTGLV-UHFFFAOYSA-N 412.473 1.925 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540872101 CNYYQHPNTXSIEP-DOTOQJQBSA-N 417.485 1.550 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540873227 RLISTNBMOVXGIG-SFHVURJKSA-N 406.494 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 1540896427 LLOTXMACQSOISX-RTBURBONSA-N 418.586 1.937 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)C(=O)OC 1544351352 FRGDBFPOZXXAEQ-HNNXBMFYSA-N 400.884 1.972 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1ccc(I)cc1 1545534213 ABFHIYLVSYCABC-GFCCVEGCSA-N 411.243 1.979 30 10 HDEE CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1548277092 ASOWJPBGNSNERH-NVXWUHKLSA-N 412.498 1.543 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1554497202 NZSIQIOJASZBLO-UHFFFAOYSA-N 406.450 1.238 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC1 1555557819 DLMNQTVCYFFXEZ-KRWDZBQOSA-N 404.515 1.013 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)cc1 1556797828 JGYSEHHIYJYKLL-MRXNPFEDSA-N 416.463 1.095 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1557338716 BSAWCCLIENRTNH-SNVBAGLBSA-N 407.286 1.610 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1557596351 HIAYCSYNKMVREB-UHFFFAOYSA-N 408.483 1.885 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccn3C)CC2)c1 1557621118 LHURRPURSQNIRP-UHFFFAOYSA-N 413.499 1.420 30 10 HDEE COc1ccc(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n[nH]2)cc1OC 1558510902 GRCMMFUZGJYWAI-DJJJIMSYSA-N 416.459 1.104 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 1561940687 QBXAFAHPUQHYNV-UHFFFAOYSA-N 403.426 1.355 30 10 HDEE C#C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCOCC1 1564021979 LWHBCZAIBBQRED-CQSZACIVSA-N 411.446 1.276 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1570329404 VIENATUTEOLBTF-GOSISDBHSA-N 422.570 1.206 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1583898647 SUFMNAHEWNAZQO-UHFFFAOYSA-N 423.535 1.189 30 10 HDEE C=CCC1(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1583952738 JJRZEJIIUSEASX-HNNXBMFYSA-N 416.540 1.652 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc4cncn4c3)C2=O)cc1 1584524529 ZSJAMKUEHGSKTF-GOSISDBHSA-N 402.414 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1587614630 MCFBCLNZVPUWPB-INIZCTEOSA-N 415.567 1.792 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1587808561 UCEZLAGYIOYJLG-QFBILLFUSA-N 410.540 1.431 30 10 HDEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1587890670 OXTFDAHNOFXJJJ-RHSMWYFYSA-N 407.492 1.629 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587898255 MFNUZPWGLDRTSW-QRWLVFNGSA-N 400.483 1.358 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCN(CC)CC1 1587957772 JGIKRTWGZRYHRO-KRWDZBQOSA-N 410.522 1.769 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1c1ccccc1 1588083801 KBDXZZCBJBUFMJ-WDSOQIARSA-N 411.531 1.765 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1Cc2ccccc2O1 1588673175 MRBLHZWSTLKIBT-GOSISDBHSA-N 409.490 1.490 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C(C)C 1589162650 FOSSIXOETCJZIM-NHCUHLMSSA-N 403.527 1.695 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1595393132 KAGSIFZXQVDPFT-MRXNPFEDSA-N 418.523 1.138 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1595418640 SKEOIVZEZKMIGH-QGZVFWFLSA-N 402.524 1.454 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCCCO1 1595517033 NFMJIKVDMBNNTK-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1595537650 VDAKOXOLLMHCBG-UHFFFAOYSA-N 410.478 1.126 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1595569763 OGNDJZGBCNSHQG-KRWDZBQOSA-N 404.559 1.470 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCc2ccco2)C1 1595665689 ZYQLTMUQNDDQHU-INIZCTEOSA-N 416.482 1.107 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1595785388 YZYAKQOGEHVDJL-HZPDHXFCSA-N 407.540 1.888 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)OCC)c1 1597951660 UBXBGTUHHHIDNG-QGZVFWFLSA-N 424.519 1.465 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)C1CC1 1602821460 AIFYVQRWROOKLH-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1609507700 VMJCJCXXAJTEHI-QGZVFWFLSA-N 403.531 1.410 30 10 HDEE CCc1nnc(N2CCC(N(C)S(=O)(=O)CC)CC2)n1Cc1ccc(C#N)o1 1613975067 LFBKRTCNUHUKTI-UHFFFAOYSA-N 406.512 1.604 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NC(C)C)CCOC1 1616202383 HCDADOZHJVJZNA-HXUWFJFHSA-N 404.515 1.585 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1 1616329897 AWYLKXHJBDVILE-DJJJIMSYSA-N 404.492 1.512 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COCCOC)C1 1618794660 QIMOWTWCKUXBDQ-QGZVFWFLSA-N 412.494 1.442 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1620025596 QWSAUCIUDPTMRZ-WBVHZDCISA-N 415.498 1.240 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)C#N 1620042007 ZJEPOPAIKSCMFO-HNNXBMFYSA-N 408.466 1.799 30 10 HDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1620522273 FSKNAFCIQORLQI-GOSISDBHSA-N 420.395 1.825 30 10 HDEE COCC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1624812055 MWKXQMQPLLZYIE-TZQQIIETSA-N 420.510 1.090 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCNC2=O)c1 1625037331 WTAXTEUEDGQHMW-VBUUPXLYSA-N 406.508 1.744 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c1 1626578541 LDYTXCUQFJEDDM-QGZVFWFLSA-N 424.544 1.124 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2noc(CC)n2)CC1 1627166127 WDPNWICVIPWPRP-HNNXBMFYSA-N 405.499 1.583 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 1632136589 VOWJXBZICXEDEZ-IMJJTQAJSA-N 421.519 1.852 30 10 HDEE C#CCN1CCCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1634015954 JGYKDOQQJDEPBI-INIZCTEOSA-N 401.511 1.915 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3ncon3)CC2)ccc1F 1635333581 QKFMJVZBTPLJQY-UHFFFAOYSA-N 408.455 1.768 30 10 HDEE C[C@H](CC(=O)N(CC1CC1)[C@@H](C(N)=O)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1635977969 RCEYJBNFMXXHJC-KZULUSFZSA-N 418.519 1.006 30 10 HDEE Cc1ccc(C)c(N2N=C(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC2=O)c1 1637504960 CIWLGRLSDBNRAI-UHFFFAOYSA-N 420.429 1.004 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1F 1641326109 VMQUHZPDEYJOGX-UHFFFAOYSA-N 416.409 1.310 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2cn3cc(Br)ccc3n2)c(=O)n1C1CC1 1641346623 AUBLUNKANAZQAB-UHFFFAOYSA-N 400.236 1.984 30 10 HDEE C#C[C@H](CO)NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1641574829 RZTHVIQHIOJRBR-OAHLLOKOSA-N 408.296 1.671 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1643533663 YAFUOZGPHQXHMF-HKUYNNGSSA-N 419.547 1.478 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCc2n[nH]cc2C1 1647897266 OASMWMNBWXDGHG-QGZVFWFLSA-N 415.519 1.982 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)C1=O 1652243649 BEZFAGVXFRXXSL-NWDGAFQWSA-N 406.405 1.710 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1661950811 FAJYWNBMEDXHIU-HNNXBMFYSA-N 402.538 1.467 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C1CCOCC1 1664579958 MPCKGWZOCYGLLM-OAHLLOKOSA-N 414.911 1.757 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3ccc(C(C)C)cc32)CC1 1671972074 AYCGZYDHAZQTNW-LJQANCHMSA-N 404.536 1.592 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(C4(O)CCOCC4)CC3)C2=O)cc1 1672352197 DUHMZDPOCDFWBF-SFHVURJKSA-N 412.490 1.280 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(Cl)c1 1675169369 MCSKIDATBXLOOY-UHFFFAOYSA-N 408.867 1.989 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3)C2)c(=O)nc1O 1679523792 XULYYBYGNNUQPE-CQSZACIVSA-N 414.853 1.319 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778687 KFJREUFQEQADHK-MTQWCTHYSA-N 414.506 1.524 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 1682747913 DJPWLHFIQSVAAZ-IBGZPJMESA-N 418.925 1.716 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)c1C#N 1685146292 WDKWZMXZLWKHIR-GXTWGEPZSA-N 400.405 1.542 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C1 1686055679 MTJROUKIZSFNEX-AVGNSLFASA-N 424.420 1.063 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCC1 1687389472 VGBXIRCLSXCGNA-QGZVFWFLSA-N 404.536 1.965 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1689907825 NAIJVMFIDJHOKZ-INIZCTEOSA-N 402.543 1.961 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689989976 KHYSLZZKEIRDQI-PXNSSMCTSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)CN(C)C 1690034401 GWJDTDGKDCDSFS-JOCHJYFZSA-N 401.555 1.981 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1690079040 RUGFJAIDMOUXOF-UHFFFAOYSA-N 413.432 1.818 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCCC1(C)C 1690105981 GXXXHVSMCUUTSS-OAQYLSRUSA-N 403.527 1.428 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCOC1 1690154987 CBOVNDKVFFXYFL-CABCVRRESA-N 415.585 1.118 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690666860 IVUIZVWBZJPWRS-MRXNPFEDSA-N 409.469 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690720061 ZFFYGTISIDPWTI-CQSZACIVSA-N 421.523 1.504 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690740129 KHYMSHHVLCXEJP-UHFFFAOYSA-N 408.553 1.341 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1692539362 LGSXDYDMHXIPNI-GJZGRUSLSA-N 423.468 1.017 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693517575 ZJOVQOONIMDPCU-MLSMBGFSSA-N 408.462 1.691 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1697557722 FZWNXTXZSZWNLB-NRFANRHFSA-N 421.436 1.938 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)CCO1 1698492535 CZWBFRUPGWGWLP-QGZVFWFLSA-N 418.461 1.170 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1705485500 KFTZOJQYYUHJJC-AWEZNQCLSA-N 421.523 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1705493339 HFOXANOBPJURHH-LPHOPBHVSA-N 420.517 1.858 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705530929 ZSFOBWCUHQIXIE-UHFFFAOYSA-N 409.538 1.744 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1705582993 OFEPKMCMRLNYML-HNNXBMFYSA-N 415.544 1.635 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1705657316 AIXBBFMCQIFBSN-UHFFFAOYSA-N 400.508 1.002 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cncn2)C1 1705664275 LXZDSIGCIWYNTC-INIZCTEOSA-N 414.539 1.200 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)CC1 1705769188 LRLGKVIJPORYOM-GOSISDBHSA-N 421.567 1.595 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705819927 XCWXPMHBSRUOKF-SFHVURJKSA-N 402.543 1.493 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1705843837 PCWRAXYQNUDHFZ-OAHLLOKOSA-N 411.553 1.651 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1705875691 CGYJELQRWXTKPX-HNNXBMFYSA-N 409.556 1.521 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(OCCOC)CC1 1705902496 GBZMSLBTRNAMLU-KRWDZBQOSA-N 407.515 1.454 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705912355 HNWKBVVQLCADRL-OPAMFIHVSA-N 424.505 1.544 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708487265 SGYNIZYSGORKDX-SZFSDLTGSA-N 415.498 1.020 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)cc1 1711885439 SCUIRNFQABPWJY-IBGZPJMESA-N 411.462 1.941 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1722279680 UGTFRNNDHJTVHY-CABCVRRESA-N 421.571 1.555 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722321842 LATQWRZGUAHLAL-KRWDZBQOSA-N 402.543 1.915 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1722342151 SQCQOPNWPMEYOW-UHFFFAOYSA-N 415.519 1.230 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1722372664 BXOSRUOWJHLQCP-MRXNPFEDSA-N 424.530 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccccc1 1722401177 OHUMUZGKTYORLK-HSZRJFAPSA-N 405.502 1.771 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1722403451 RFBBLRAJUNPSHQ-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ccc(C)cc2)CC1 1722430080 WJBWWVJGOPVSEB-UHFFFAOYSA-N 410.522 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(-n3cncn3)c2)CC1 1722444284 IJVVATNBKHYLLS-UHFFFAOYSA-N 404.478 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(O)CCOCC2)CC1 1722447040 BXLBJJMOLFKGBF-UHFFFAOYSA-N 401.511 1.053 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1723773095 OZFXMQPEHFUDMV-YJYMSZOUSA-N 402.455 1.550 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CCO1 1731189539 MHTURRZCNXDPNA-IAGOWNOFSA-N 402.499 1.555 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCN(C)C2)c1 1740562197 MCUMCZFLOLGJSB-HSZRJFAPSA-N 424.549 1.698 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1740656197 ICEXODOTRWPVGX-SFHVURJKSA-N 404.536 1.460 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1740665839 SATYBNQLHZYBLE-UHFFFAOYSA-N 422.493 1.310 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCCCO)CC1 1740699982 BECAEMFTBPTGAX-UHFFFAOYSA-N 401.486 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)OC)CC1 1740704830 YTMMBKUHIKDGBM-INIZCTEOSA-N 411.506 1.954 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2nncn2CC)CC1 1740705518 IVNXOEWGSKMIRW-UHFFFAOYSA-N 410.526 1.561 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740715954 IEHMJBXAFBJVNX-IRXDYDNUSA-N 413.551 1.942 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1740787457 IIZAYUCBCBVLAD-MRXNPFEDSA-N 419.530 1.982 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1740810752 FYCYWXLZPAZCSG-CABCVRRESA-N 418.947 1.565 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1740877245 ZGVWQGHRQQXYIY-SJORKVTESA-N 411.572 1.856 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740946338 JGIYQKBLFFVQKU-KRWDZBQOSA-N 412.469 1.907 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)C1 1740978011 MVJONPBAVZQBNI-UGKGYDQZSA-N 413.522 1.802 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCC(C)(C)O)CC2)c1C#N 1742668630 DQPCWGXEGACPDA-UHFFFAOYSA-N 412.542 1.632 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC[C@@H]1COCCO1 1747705073 WSFMJQFNMFJWTG-LJQANCHMSA-N 407.478 1.992 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1748766326 NCCGMDJMSLQTBX-UHFFFAOYSA-N 414.433 1.019 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1748766698 VILUYVCNNMCBGU-MRXNPFEDSA-N 420.477 1.395 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748824264 MNXWOYYNWSMHIV-QZTJIDSGSA-N 424.567 1.962 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCC=CO2)CC1 1748978562 MQCGWMODGCSVIG-WIYYLYMNSA-N 401.511 1.378 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1749026188 HIMQXTIECLCFOU-UHFFFAOYSA-N 401.492 1.265 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)CC1 1749342676 LPHVQMLPCRZTDB-SFHVURJKSA-N 418.567 1.949 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1749461866 KHGAXQQZIVMDBH-UHFFFAOYSA-N 422.493 1.923 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1750101317 RETHLRKTAFIQNQ-OAQYLSRUSA-N 413.478 1.475 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCC1 1750256052 FCFZTLKORTZJGZ-CHWSQXEVSA-N 400.574 1.770 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760155434 XYUSKALBEALIEC-IAGOWNOFSA-N 423.583 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760201320 PRZSHRFOOLCSOB-NRFANRHFSA-N 414.513 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCN(C)C1 1760212837 GPLMNCQUAXQDPP-HSZRJFAPSA-N 423.517 1.492 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)N(C)C)c1 1760217296 XLAYWIVEZMCUDH-UHFFFAOYSA-N 415.501 1.892 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1760261272 NFJIWDAQIXPVTK-REPLKXPHSA-N 414.554 1.359 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760352692 WJYDGWPGUOSGMY-CYBMUJFWSA-N 405.421 1.777 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760510305 QCACPQWGCCKUTI-NSHDSACASA-N 416.429 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1760519896 SZUXHODJMVPVCU-UHFFFAOYSA-N 408.462 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760558148 HLKRMUOTVOTROE-OAHLLOKOSA-N 424.527 1.491 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)COCCO1 1761567801 MFZAXSUFOKSQLY-QFIPXVFZSA-N 424.505 1.714 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C#N 1769376005 DPUIIGLDBBLOGJ-CYBMUJFWSA-N 410.931 1.667 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CCN1CCOC(C)(C)C1 1769843367 HQLFJRHEFIAKLT-UHFFFAOYSA-N 413.526 1.817 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1770346914 KVZJYVAJQWUZPE-RTBURBONSA-N 413.478 1.878 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)CC1 1770751329 GKLUVCIMBOGXCO-GOSISDBHSA-N 416.526 1.840 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC[C@H]1CCS(=O)(=O)C1 1848912967 LUVORVPQZQORHQ-UYAOXDASSA-N 409.548 1.946 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)CC2 1849232974 RRYQHFMKQBDNAE-INIZCTEOSA-N 403.439 1.158 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCN1CCCCCC1 1850256245 ZIZRYISACUIUKV-GOSISDBHSA-N 422.551 1.440 30 10 HDEE O=C(COc1cnc2ccccc2n1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851158655 CJJZENMJISOOGI-UHFFFAOYSA-N 402.354 1.879 30 10 HDEE COc1cccc(C#N)c1OCC(=O)NCCN1CCN(Cc2ccccc2)CC1 1851244187 WEMVRAZLCJQRHU-UHFFFAOYSA-N 408.502 1.880 30 10 HDEE N#CCC(=O)NCCOC(=O)c1ccc(N2CCC(N3CCOCC3)CC2)cc1 1851558122 WYWOJDQSHRKVEZ-UHFFFAOYSA-N 400.479 1.174 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1nccc(N2CCOCC2)n1)c1ccc(F)cc1 1852511836 LMCSVWXEDWGVBW-UHFFFAOYSA-N 416.482 1.974 30 10 HDEE O=C(c1cccnc1N1CCOCC1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1853142871 ZABYVRARVUPOMA-UHFFFAOYSA-N 420.413 1.792 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3ccc(OCC(=O)C4CC4)cc3)C(=O)C2)C1 1853729362 NOIRVJLGORAGKD-LJQANCHMSA-N 411.502 1.589 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3c(C)noc3C)C3(CCCC3)C2=O)CC1=O 1854103637 OTROAXFFTPGOOC-KRWDZBQOSA-N 414.506 1.810 30 10 HDEE C[C@@H]1CN([C@H](C)CCC#N)c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C1=O 1854738479 UWOACTVPJJEDGG-HUUCEWRRSA-N 418.519 1.586 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1855117071 GCCRRLVQTGSURK-GOSISDBHSA-N 419.503 1.898 30 10 HDEE COc1ccccc1OCC(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856362163 BDRZLJXBTHVJCI-UHFFFAOYSA-N 409.442 1.695 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN([C@H](C)CCC#N)CC1=O 1856441410 WUKBACPAZVRBLD-OAHLLOKOSA-N 409.446 1.218 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1856975301 LFNFMIHJUBMOFW-HOTGVXAUSA-N 409.895 1.543 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)C2CC3(CC(=O)C3)C2)C1)[C@@H]1CCN(C)C1=O 1857074514 KQECUUMNNPFINY-CRAIPNDOSA-N 401.507 1.230 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)ccc1F 1858317919 YRXQPABKRMOAJC-OAHLLOKOSA-N 423.491 1.747 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861166281 LYZHWTSAKMLPSL-SFHVURJKSA-N 404.486 1.090 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861204593 DZZPFHNGKWZFNE-AEFFLSMTSA-N 420.941 1.605 30 10 HDEE C=CCNC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O 1861508946 SWOBAVXHDALUEA-UHFFFAOYSA-N 421.409 1.244 30 10 HDEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560937 RCXOUBKTXMDLNE-LJQANCHMSA-N 409.490 1.152 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(F)c(F)c1 1871260564 OLPDELDJBDERCK-UHFFFAOYSA-N 407.417 1.802 30 10 HDEE C#CCOC1CCN(C(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)CC1 1891755676 ZTQGHXOSCQOQIT-UHFFFAOYSA-N 411.458 1.568 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCC#CC(=O)O)CCN(Cc2ccccc2)CC1 1984838781 ZWYVCDAZDQCVAP-UHFFFAOYSA-N 415.490 1.750 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@H](O)[C@@H](O)CCN1C(=O)OC(C)(C)C 2064131590 BXKBFHZHHDYYBN-MELADBBJSA-N 419.316 1.641 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)[S@](=O)CC1(O)CC(C#N)C1 2074691840 PRKCMCHBAYKYGT-JTTURVHLSA-N 408.476 1.558 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@H]1CO 2122384543 FZYJJYIELQFKOX-AAEUAGOBSA-N 401.510 1.516 30 10 HDEE CCC1(CNS(=O)(=O)CC2(C#N)CCOCC2)CN(C(=O)OC(C)(C)C)C1 2178021336 GTDUSDXDRZFFGM-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H]1CS(N)(=O)=O 2181110163 LPUJFYPDCOYTAL-KBPBESRZSA-N 402.517 1.243 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 2205587746 AXAJSDGHWVITCB-LSDHHAIUSA-N 412.537 1.891 30 10 HDEE CC1(C)OB(c2ccc(CN3CCCN(S(C)(=O)=O)CC3)s2)OC1(C)C 2235427633 QTBPFLFGJPJHIV-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244220255 YJNSGSHBVIBQEU-AWEZNQCLSA-N 402.494 1.205 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2246720774 POVOBJUZNMGMEZ-UPJWGTAASA-N 405.289 1.757 30 10 HDEE Cn1ncc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247779567 WGIAKEURCSTVOX-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247823840 SKMSKLQGPZZBTA-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NCc2cnn(Cc3ccccc3)c2)OC1(C)C 2256063941 XNGXFVGALPAOSZ-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE C[C@H](CO)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356856 PBUNPQVIMCMMML-JTQLQIEISA-N 409.766 1.950 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CSC[C@H]2C(=O)O)OC1(C)C 2269040022 KEQGBINXUUNDGZ-JTQLQIEISA-N 405.328 1.196 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281978216 ZWHODFALROVWQY-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE Cc1cc(S(=O)(=O)NCC(=O)OC(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282310892 ZVYSRBKTZHGDNO-UHFFFAOYSA-N 403.331 1.586 30 10 HDEE CON([C@H]1CCNC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282320699 MDSCCGKHJFNPKU-LBPRGKRZSA-N 402.347 1.270 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](C)CC(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282321430 XCJQSBIZTBYGMC-LLVKDONJSA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(C)CCCCN3)s2)OC1(C)C 2282328806 CXSZJBUHWYKTBF-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340813 KDYYWGZHOGQKDT-LLVKDONJSA-N 401.315 1.373 30 10 HDEE CN(C[C@@H]1CCCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282347820 CVHXSVCKANDXTD-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CN)C1 2282421361 MSZCIWIFLWCXLU-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H](O)C2CC2)OC1(C)C 2282499690 FGDWFEZBDQZCCW-AWEZNQCLSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](F)C[C@@H]3CN)cc2Cl)OC1(C)C 2282828345 MQTGDAZELOZGDT-NXEZZACHSA-N 424.756 1.761 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CN 2282839981 BXMXMOYGQUVBGX-QWRGUYRKSA-N 420.793 1.916 30 10 HDEE CCCN(C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282850488 PLFDIZFOHVJVPH-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@H]1CC[C@@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850947 VHFNITNROWQBBT-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1N 2282878084 AWHNTDXKYRBGBM-VXGBXAGGSA-N 400.375 1.651 30 10 HDEE CC(C)[C@H]1CNCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882761 QEUCWASIYMJSAU-CQSZACIVSA-N 400.375 1.666 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336248101 KLWJZQRQHPTROQ-RDTXWAMCSA-N 402.582 1.946 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1 2355501800 PFXIAXWNAOOZLE-RLFYNMQTSA-N 401.529 1.728 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2356244491 PGRSUEVEFWULCX-HRCADAONSA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365171958 QZJPVGNQWYINHZ-DGCLKSJQSA-N 409.451 1.388 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365175518 HUQHFXMVEIPAOK-HZPDHXFCSA-N 403.541 1.836 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)CCOCC1 2365198115 YMWKKJXXOFCKGO-OAHLLOKOSA-N 402.557 1.723 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 2365207234 MJWGYUUSVSIBDL-ARFHVFGLSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2(CC2)C1 2365208567 CNQQRMFCRUZWCN-LIRRHRJNSA-N 400.541 1.292 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367783740 KPVVKMXJZYNOCX-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367789029 RETXDJHBIQVVKQ-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)N2CCOCC2)OC1(C)C 2369893760 AXPIVFNFMZABQV-UHFFFAOYSA-N 422.765 1.367 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2372396936 OJHHQYKSNZMSGA-XMDUPGNXSA-N 400.541 1.291 30 10 HDEE C=CCN1CCN(S(=O)(=O)[C@@H]2CON(C)[C@H]2/C=C/c2ccc(OC)cc2)CC1 34739551 ASOJJEWXHUCXRW-GSSTWSARSA-N 407.536 1.456 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCNCC3)C2=O)cc1 96573473 FZUBFFFKOOIGIR-NRFANRHFSA-N 400.479 1.230 30 10 HDEE C#CCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@@H]1CCS(=O)(=O)C1 111047677 OVGROHOTQBHUFH-MRXNPFEDSA-N 415.515 1.407 30 10 HDEE C=CCNC(=O)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@@H]1O 215089389 QEPSUPKAWZVVHR-ONUIULTDSA-N 401.507 1.280 30 10 HDEE N/C(=N/O)[C@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 232346207 ATOUBBWCWMSIBP-SNVBAGLBSA-N 409.611 1.532 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)CC1 302922815 XFVJPROKXZUSIG-UHFFFAOYSA-N 401.417 1.993 30 10 HDEE C[C@H](C/C(N)=N/O)n1cnc(I)c1I 306219883 NHCCCTKVDBLUMN-SCSAIBSYSA-N 419.992 1.790 30 10 HDEE CCOC(=O)CC1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCCC1 447858168 IJIPFLQIKJHHHM-UHFFFAOYSA-N 407.492 1.793 30 10 HDEE N#Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 460266270 SCWLUIQLKRAZRB-UHFFFAOYSA-N 414.487 1.549 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461324879 SJRFQLKDTOIDAC-GFENJXEQSA-N 421.461 1.824 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)[C@H](C)C1 461695775 LZDMMFWEKJENOG-VQIMIIECSA-N 424.505 1.822 30 10 HDEE COc1ccc(CN2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c(OC)c1OC 468981587 MNZGWHXOQPVAPF-MRXNPFEDSA-N 416.522 1.781 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)cc1C#N 489106018 MZWRURIVFZWOCC-UHFFFAOYSA-N 418.906 1.991 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc4ncc([N+](=O)[O-])n4n3)CC2)cc1 502405795 AIISLVYJWGMAFS-UHFFFAOYSA-N 413.419 1.020 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CC1 503641711 HXNVHKBJYQGNMT-UHFFFAOYSA-N 414.487 1.093 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 504634584 HBOBMIWFCGWANB-IUODEOHRSA-N 420.470 1.722 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 507475174 AGSHSLZWUPFISA-AWEZNQCLSA-N 408.499 1.451 30 10 HDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1C[C@@H]2CC[C@H](C1)O2 508478908 VAUTZCYZJBWCAN-CALCHBBNSA-N 417.535 1.961 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(c3nnc4ccccn34)CC2)CC1 512467920 GTBZHLZIDKYJTJ-IBGZPJMESA-N 409.538 1.601 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 513853011 QHQZMGDWKAFASU-UHFFFAOYSA-N 421.457 1.363 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)nc1 517654032 GWWHYAMQIWRITM-HNNXBMFYSA-N 424.417 1.408 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O 523499898 OBESRQCSOBMXQY-UHFFFAOYSA-N 400.398 1.990 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 523691518 CBZMXNUSIBMEQF-IBGZPJMESA-N 413.499 1.801 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N=c3cc[nH]c(C)c3Br)CC2)c1C#N 530406872 WPPGOERYMBNOLK-UHFFFAOYSA-N 418.299 1.842 30 10 HDEE Cc1nc(N2CCOCC2)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 544892756 ODEZCFWLHUSJFH-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc(C#N)c2)CC3)CC1 549703004 VFUWPDNAJAKWJE-QGZVFWFLSA-N 406.490 1.135 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 554743253 KPUUHLNEKOOBSP-INIZCTEOSA-N 411.549 1.126 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 574597901 ORPJJMMWBJPJMU-IRXDYDNUSA-N 421.453 1.981 30 10 HDEE CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc21 586310448 XDQARJAWZVLYDM-DBDZUICISA-N 405.476 1.124 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@@H]1CCCO1 603799041 RMNVCBNGVSYVME-SFHVURJKSA-N 423.538 1.511 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](NC(=O)CC)C2)cc1 606062840 UFWHDIHVZXDTKU-MRXNPFEDSA-N 401.467 1.450 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)NC3CCN(CC#N)CC3)C2)c1 610683975 JXQSYUUKUQSZPX-MRXNPFEDSA-N 401.511 1.817 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 612118990 XHGAMWZTCSRAGT-LJQANCHMSA-N 419.489 1.812 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC2CCC2)C1=O 730143433 BOBGHIMHKOGWKD-JQBIEYAESA-N 417.579 1.792 30 10 HDEE C=C(COC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 734025167 DQCPWDXGPCFSHE-UHFFFAOYSA-N 420.281 1.780 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)cn1 734602135 YMDDUKVGPKXRKI-KRWDZBQOSA-N 405.476 1.458 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 741692446 WNMJKEMICXTZCR-GGNAOWBESA-N 406.483 1.713 30 10 HDEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 751825858 AFLXHLXKKQPSQC-UHFFFAOYSA-N 416.572 1.922 30 10 HDEE Cn1nnc2ccc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)cc21 755177275 VIWQIXBOEQRYME-UHFFFAOYSA-N 401.386 1.821 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCc2nc3ccccc3oc2=O)C1 757587844 BTHRJAUGOWQTTE-CJNGLKHVSA-N 412.446 1.996 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCNc2ncccc2C#N)n(-c2ccccc2C)n1 761901974 MCTAFWLIOWQHOA-UHFFFAOYSA-N 403.446 1.923 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2ccc(N3CCOC3=O)cc2)cn1 763382064 MIXYVLQAQRBYOJ-UHFFFAOYSA-N 410.415 1.896 30 10 HDEE C[C@@H]1CC(=NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)NO1 765385516 UVSJJBPUKZIFIR-SECBINFHSA-N 418.269 1.041 30 10 HDEE C#CCN(CC#C)CCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 772797057 CANGFEPVKYQISO-UHFFFAOYSA-N 417.531 1.767 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C 774092918 JSBUXJHEOLIYTJ-AWEZNQCLSA-N 411.480 1.601 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccccc1OC)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152238 GWDVGDFEMWUMKX-QAPCUYQASA-N 416.503 1.350 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(C3CCCCC3)C2=O)n1 788367706 WCTXYBYZJGFEFL-NRFANRHFSA-N 401.511 1.813 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)CC)cc2)n1 788561375 XPNMIADXXMUIMK-UHFFFAOYSA-N 404.492 1.990 30 10 HDEE COCc1ccccc1S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793188589 BIOIJKRVWLDSON-UHFFFAOYSA-N 418.475 1.723 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1 794590860 XMPMXRJOFBDPNE-MRXNPFEDSA-N 406.463 1.991 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@H]1CCS(=O)(=O)C1 798531963 AAFUIGWKBPERQQ-RYQLBKOJSA-N 403.504 1.008 30 10 HDEE C[C@@]1(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC(=O)NC1 798840265 VWDQUOGSIIIQLU-CQSZACIVSA-N 400.254 1.042 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccccc2)c(F)c1 804157989 JMUYLXGXSMLDBM-ICSRJNTNSA-N 411.433 1.665 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 805973018 FWAGMPPBTLYHCL-QFBILLFUSA-N 403.479 1.342 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)OCc1cccnc1C#N 813166463 WGWOBVVOHQUMPG-MRXNPFEDSA-N 402.451 1.902 30 10 HDEE C#CCN(C)CCCNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 818603047 MXTQWFHGKUSHRD-UHFFFAOYSA-N 401.326 1.846 30 10 HDEE CC[C@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O 913708418 HXTADCSXILNSCP-JFTXUKFJSA-N 406.483 1.569 30 10 HDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914552005 RFZPUVGSEDQBGB-IAQYHMDHSA-N 406.483 1.951 30 10 HDEE COC[C@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)OC 1131106371 RAUFJJOAQJVQNQ-KRWDZBQOSA-N 409.508 1.127 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@@H](O)c2ccccc2F)c1 1137410627 FREWUFCAOOIGSQ-OALUTQOASA-N 404.463 1.979 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)C2=O)cc1 1139810937 AKBFSHXSCPLWMT-LEWJYISDSA-N 416.481 1.938 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(Br)cc1 1141447969 WLHOCJHFNZNYPX-CQSZACIVSA-N 423.292 1.691 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1 1141820754 AWRDAVKKIBMLBN-LGWJOMFWSA-N 401.492 1.975 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCS(=O)(=O)CC1 1143781636 RADBGJRWNVUFBJ-HNNXBMFYSA-N 403.545 1.083 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C12CCCC2 1144998558 DPVXBTGPUOLMIV-CQSZACIVSA-N 417.466 1.259 30 10 HDEE CCOCCOCc1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1C 1147894421 FQBGZVKMTHQTOC-UHFFFAOYSA-N 400.435 1.711 30 10 HDEE C=CCOC[C@@H](NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)C(=O)OC 1155779417 LXYALPBEOQFLHX-CWDSQJGSSA-N 409.442 1.713 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)cc2C1=O 1157984420 CTMYGHHUOGRUOQ-HZPDHXFCSA-N 415.446 1.179 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1159688978 PCVDOXQUZVYASL-HNNXBMFYSA-N 402.451 1.826 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1164154999 IECUKFHOIMMWLF-LJQANCHMSA-N 413.522 1.045 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCN2C2CCCCC2)cc1S(=O)(=O)NCC#N 1166986480 DYSCJJPDGBKESK-SFHVURJKSA-N 404.536 1.934 30 10 HDEE C=CCC[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1176771629 OOWBWOMKJABBGI-IIBYNOLFSA-N 400.479 1.924 30 10 HDEE CCC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1196646959 VBEFYIMWBUOVPQ-HXUWFJFHSA-N 405.587 1.256 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 1208449499 OBVDNXLYWSDQRV-NSHDSACASA-N 420.896 1.329 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(Br)ccc1C#N 1209890537 CDKMWYSVJFYDJR-NXEZZACHSA-N 407.311 1.517 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 1252457833 FZLHMBABMDENIL-KKUMJFAQSA-N 423.263 1.727 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1286366129 UWROSXCIRIYOBK-ZPHPHTNESA-N 421.417 1.449 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286389582 MTJDBPXTURSHNU-HKUYNNGSSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286392828 HNJJSRPORWMIAI-OKZBNKHCSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(=O)NCC 1286414814 COXDKJZIKKSGKV-IRXDYDNUSA-N 401.511 1.237 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC 1286431577 PPFJLEXVWMXGCZ-UHFFFAOYSA-N 407.522 1.952 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2C)CC1 1286480670 OWCDCZQEJQUAFY-KZNAEPCWSA-N 405.568 1.372 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2csc(C)n2)CC1 1286484167 FIYIUFVLXHLNCF-UHFFFAOYSA-N 424.578 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CC=CCC2)CC1 1286490522 XFEOLUGZSJLZIU-UHFFFAOYSA-N 407.522 1.501 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1286784421 HDASJKKMTIZOLP-HNNXBMFYSA-N 419.489 1.462 30 10 HDEE CCc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1293182750 XZDWNGMZOPQGML-UWZWCOGJSA-N 418.408 1.887 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCC[C@H]1C 1297188454 LVHUKZKEGKZXNR-SPLOXXLWSA-N 412.494 1.901 30 10 HDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1298853909 GDIDIUKYFORVTB-UHFFFAOYSA-N 423.477 1.218 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CSc2ccccc2O1 1299899490 GEGSAMWFRSANRZ-ZDUSSCGKSA-N 417.512 1.785 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 1300214976 JUBGOZJUUVSSHW-SUMDDJOVSA-N 421.515 1.960 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(C)C)CC1 1300380775 ICMHBDACPPNDQH-QGZVFWFLSA-N 424.615 1.858 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCCS(C)(=O)=O 1300591532 SKCRBRLWDJVPPY-UHFFFAOYSA-N 418.494 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)C2CC2)CC1 1300719609 IQHPSUQUKLABBI-JOCHJYFZSA-N 408.506 1.467 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1300767339 VGUFROZKYHLGOH-UHFFFAOYSA-N 419.576 1.644 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O 1300845640 YXBLRTUWCQTPOI-GFCCVEGCSA-N 422.349 1.066 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301170324 RTTQXYYKEJBMOF-APWZRJJASA-N 412.556 1.862 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301216641 OHXKCNYIJCEHHY-HNNXBMFYSA-N 403.531 1.826 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1301218906 DFYLIIXMRVPRME-HOTGVXAUSA-N 406.504 1.085 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1301497448 XCDOHMLLDHTPIW-AWEZNQCLSA-N 407.478 1.396 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCNC(=O)CC2)cc1 1301520731 MYPYMJDRLIUAGI-UHFFFAOYSA-N 412.494 1.356 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2COCCO2)C1 1301566899 SZFVFNIRVUZUKC-ROUUACIJSA-N 402.499 1.336 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302525716 SPIFQTKVKAAXCD-OTWHNJEPSA-N 418.542 1.258 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=O)c2ccc(Cl)cc2)CC1 1302923633 BHMBNBVSHCZNMX-CQSZACIVSA-N 411.911 1.161 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 1303558412 ZMPWQXOHGOATIT-GFCCVEGCSA-N 404.319 1.486 30 10 HDEE CC1(c2ccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cc2)OCCO1 1306885761 WZHPLMVFYVEYAC-UHFFFAOYSA-N 415.471 1.372 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c(Cl)ccc([N+](=O)[O-])c1Cl 1309337327 GNLQLKVPWRAWOB-UHFFFAOYSA-N 403.265 1.781 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1309498015 DOMACRHYBDCREB-AAEUAGOBSA-N 422.320 1.665 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)CC1 1309870200 LTWUPUCUWPJYRU-UHFFFAOYSA-N 413.565 1.604 30 10 HDEE CO[C@](C)(C1CC1)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1312860818 HXRORTXSHIIINF-QRWLVFNGSA-N 420.535 1.778 30 10 HDEE COC(=O)N(C)CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1313019276 JTIKUAAMPKRUOE-UHFFFAOYSA-N 413.482 1.565 30 10 HDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1315820173 XPLVBINVRMHEJY-ZIAGYGMSSA-N 423.518 1.819 30 10 HDEE COCCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1316252825 ZENXGOPOULGUGG-INIZCTEOSA-N 414.466 1.155 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)C1 1337693460 KGYNXIFNPFAMNH-QGZVFWFLSA-N 410.515 1.490 30 10 HDEE C=CCCn1cc(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1357336141 LCBBVEOEJKDGCX-UHFFFAOYSA-N 403.508 1.746 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1358900541 MRXVTRKTDBDDDT-OAGGEKHMSA-N 418.542 1.985 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1358984125 JRARTAIXDYFZKR-IRXDYDNUSA-N 420.535 1.042 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)[C@@H](C)CC)CC1 1359039951 BYXNJYIWRRUFPK-HAGHYFMRSA-N 419.570 1.818 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)C(C)C)CC1 1359040070 GSUHQZIIUMQHCV-OALUTQOASA-N 404.559 1.098 30 10 HDEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359199373 SWUSRXCKUQXJMN-QGZVFWFLSA-N 424.505 1.457 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359300929 NDVMSYHSOFLXIS-MOPGFXCFSA-N 411.506 1.532 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359304393 XBGKMAXMFPPRKX-QGZVFWFLSA-N 424.505 1.279 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 1449419679 AVXSNSCSIQYELH-IBGZPJMESA-N 420.469 1.728 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)cc2)c1N 1451478408 FFKVSLYGWNARJM-JOCHJYFZSA-N 400.442 1.595 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nn3nnc4c3CCCC4)CC2)cc1 1456193407 DJHCUGGJGAHKQQ-UHFFFAOYSA-N 414.491 1.200 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1nc(C#N)cs1 1456479571 OSLXVJCQMKSHFV-UKWYHXRUSA-N 412.393 1.617 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 1462877298 ULZNTMWPTBQGKK-SECBINFHSA-N 405.910 1.156 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)CC2)c1 1463913409 JBWFMKLOBICYLA-HSZRJFAPSA-N 405.502 1.629 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1 1464468977 ZALKVLOWJYOYOD-OAHLLOKOSA-N 409.508 1.890 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cnn(C)c2I)CC1 1464583831 AVUNYJQDMHNMGS-UHFFFAOYSA-N 411.265 1.116 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cs1 1467735344 BQKIGQYNOGPETC-QPJJXVBHSA-N 423.491 1.706 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)s1 1470630521 YGWFZSYNIOZFAX-INIZCTEOSA-N 418.504 1.174 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCN(C)CC1 1472034215 WWAMTLKHJGVZCY-UHFFFAOYSA-N 417.575 1.790 30 10 HDEE COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC1CCCC1 1472283122 ITTUJZIJIVUKNF-INIZCTEOSA-N 407.492 1.322 30 10 HDEE Cc1cccc(OCCNC(=O)Cn2cc(C#N)c(I)n2)c1 1473049299 UZIKIQBAHIJCGN-UHFFFAOYSA-N 410.215 1.863 30 10 HDEE C=CCCSCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1477814523 UAVFBBYXVWBHQQ-KRWDZBQOSA-N 420.583 1.891 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)[C@@H](C)CC 1499140757 HOBVICRHLUKJHQ-BTYIYWSLSA-N 414.558 1.878 30 10 HDEE CCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cn1 1501258495 BDBIQMKWAHVLRK-JKSUJKDBSA-N 411.466 1.190 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507596679 MPWHNDBJGWKWIS-FHWLQOOXSA-N 403.527 1.720 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1507633086 AUHYENRFFPOLGD-KRWDZBQOSA-N 417.535 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OC 1507660558 AMPZICLLXCFYSZ-QFIPXVFZSA-N 409.490 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1507670812 VQCIHHIZCNXARI-UHFFFAOYSA-N 400.486 1.782 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CC2)C1 1508125023 GVAKTDWKVTZKOV-QGZVFWFLSA-N 417.535 1.622 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1508663567 SFKNGCOYRLOMTD-INIZCTEOSA-N 413.482 1.984 30 10 HDEE C=CCC1(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)CCOCC1 1517279104 UTPXDEOXEHXIQO-UHFFFAOYSA-N 409.504 1.764 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1529454207 XMYQWFSFNVSMSI-QGZVFWFLSA-N 408.414 1.639 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753881 QCNIHXUREKTQSQ-IAQYHMDHSA-N 402.252 1.917 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 1534831380 NHSCGHVQJHOREN-QGZVFWFLSA-N 417.491 1.995 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CCO[C@@](C)(C#N)C2)c1I 1538537561 DNDUNTLZGOPSAA-AWEZNQCLSA-N 402.236 1.997 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CC(c4cccc(Cl)c4F)=NO3)C[C@H]1CS(=O)(=O)C2 1538766330 VBVYMKJNGSQFMN-NCAQKEMTSA-N 411.842 1.369 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539125419 YPQGHIYEJUQXOE-INIZCTEOSA-N 417.460 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1539305802 PSUXAXJCVQXSRN-UHFFFAOYSA-N 412.457 1.433 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1539343897 ROPPVSHGJGDKQK-HNNXBMFYSA-N 405.524 1.713 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1539752343 KKAVCDVGQNXNAO-UHFFFAOYSA-N 414.510 1.152 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540876135 INPMDVWIIRFENU-YWZLYKJASA-N 407.515 1.236 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@](=O)C(C)(C)C)C1 1540882002 ZHPLHFZGEPKKTF-OFJJUDJNSA-N 423.583 1.843 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCOCC2)C1 1540890412 DUILDZHWMHJMIS-GUDVDZBRSA-N 405.543 1.532 30 10 HDEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN(C)S(=O)(=O)CC 1548144256 DSZSPCBGYYOBJQ-SFHVURJKSA-N 412.560 1.616 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)C1 1555809318 RZYWUSCDHDOEJQ-DLBZAZTESA-N 422.555 1.541 30 10 HDEE Cc1c(C#N)cccc1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1557064112 KGJJSOWWCSBLKE-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 1557351998 KWHAHAQUCSWCLM-GOQWEPIVSA-N 424.501 1.405 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1558383820 PTDVJIRRDZRCPC-GOEBONIOSA-N 411.524 1.994 30 10 HDEE Cc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1C 1564633890 CECAFOBSTTYTRR-ABSDTBQOSA-N 416.503 1.376 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 1564846718 BIMSZJDWDOGKLI-MRXNPFEDSA-N 407.312 1.587 30 10 HDEE C=C(CC)CNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1564920337 AKZPCBFELVABKH-UHFFFAOYSA-N 409.531 1.953 30 10 HDEE C#Cc1cccc(N(C)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1565602178 QXYKLXIRWQTSCS-UHFFFAOYSA-N 406.485 1.013 30 10 HDEE CN1CCCN(CCCNC(=O)COc2cccc(Br)c2C#N)CC1 1565611660 NUIJCLVEGXVWFR-UHFFFAOYSA-N 409.328 1.843 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1565622432 MLYQWLKTNMBEQT-MOPGFXCFSA-N 407.536 1.009 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C)c(C#N)c2)cc1 1584105346 VBMHWUKCSYZOCW-UHFFFAOYSA-N 414.487 1.762 30 10 HDEE C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1584786946 FTINMAAEPIPUOK-HTAPYJJXSA-N 404.426 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCNS(=O)(=O)CC 1587599110 JSGGLOWOWQPIQH-OAHLLOKOSA-N 405.524 1.741 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1587860794 AYEATCNAKQWUGB-SJORKVTESA-N 421.567 1.287 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1588059778 UWVSYQFRBOBJBP-MSOLQXFVSA-N 405.568 1.484 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2C)CC1 1588865218 QTGZSERJRNDJJD-UHFFFAOYSA-N 406.534 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H](C)N1CCOCC1 1589151151 SHUUIYNNVMFWSF-DBXWQHBBSA-N 405.543 1.715 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1593746783 NDJHDZFSLMQPJN-KRWDZBQOSA-N 410.540 1.556 30 10 HDEE C=CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1594687416 QJYYIZZDHYEEEL-UHFFFAOYSA-N 401.467 1.873 30 10 HDEE N#Cc1c(CCCNC(=O)CC2(O)CCOCC2)nn(-c2ccc(F)cc2)c1N 1595532409 BFDXULQFJKSKMC-UHFFFAOYSA-N 401.442 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1595544533 JPQHHEAINQCLBJ-IAGOWNOFSA-N 418.542 1.217 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1 1596029965 ZDAVFNXXKXBMHF-SIKLNZKXSA-N 410.495 1.638 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNC(=O)Nc1ccc(Br)cc1 1597332211 KDGPHIPCYDFTJZ-UHFFFAOYSA-N 411.256 1.876 30 10 HDEE COc1ccc2c(c1)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCO2 1611199545 DNQZHQHMLSWVKX-QGZVFWFLSA-N 401.444 1.485 30 10 HDEE C=CCOCCCC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1611545452 BUAGHEIWIIDSFU-OAHLLOKOSA-N 404.529 1.510 30 10 HDEE CN1CCC[C@](O)(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1624379867 FZDOTFLZWAWOOX-NRFANRHFSA-N 414.485 1.361 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1626744691 IXCIQTQDMKTUFL-KRWDZBQOSA-N 411.572 1.394 30 10 HDEE CCN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1cccc(C)c1 1627265858 ULGYXQHSWAMTPO-PKQRKWSTSA-N 410.474 1.547 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)C(=O)OC(C)(C)C 1628920332 LUJDBKRSEDPIHN-UHFFFAOYSA-N 411.506 1.849 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OC 1629617284 LPTBXLWSIPOKBN-INIZCTEOSA-N 414.430 1.047 30 10 HDEE Cn1ncc2c1CCCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1629872459 ALTFMXSKZCJOOR-QGZVFWFLSA-N 406.446 1.472 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CS(N)(=O)=O 1631269201 JLONIJCMHOVGBG-GJZGRUSLSA-N 403.545 1.906 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1 1632229062 YIWUAMIKBQMXLB-UHFFFAOYSA-N 410.511 1.942 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1632623893 KPPJFMGDCITMNP-UHFFFAOYSA-N 417.307 1.147 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnccc1C(F)(F)F 1633531173 GWZVNKMJBXGGRB-NSHDSACASA-N 412.393 1.955 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)CC1 1634736591 MOFORAWYTHEMPY-GFCCVEGCSA-N 419.334 1.849 30 10 HDEE N#Cc1cn(CCC(=O)N2CCN(c3cncc4ccccc34)CC2)c(=O)nc1O 1638935514 CCZJQOFLMLFKJE-UHFFFAOYSA-N 404.430 1.108 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CNC(=O)c1ccccc1I 1640896516 LSBSMDCIFINWJM-OLZOCXBDSA-N 400.216 1.481 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)c1 1641569880 LWSFJVWQZDGDDN-XAVKZTDYSA-N 420.409 1.172 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@](C#N)(c2ccccn2)C1)c1cc[nH]n1 1642608005 SNYZNELFNDJPBG-HXUWFJFHSA-N 410.434 1.172 30 10 HDEE C=CCC1(O)CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1644570718 PBGRVYOFFUKHLK-GOSISDBHSA-N 415.490 1.802 30 10 HDEE COC(=O)[C@@H]1CN(C[C@@H](O)c2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1644662178 PHQQWNPNEYRTKI-ZWKOTPCHSA-N 415.490 1.934 30 10 HDEE COc1cc(C#N)ccc1OCCN1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1647787952 QUYXLUQXGVWMEQ-NRFANRHFSA-N 421.494 1.534 30 10 HDEE CC(C)n1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C2CCOCC2)n1 1648029150 ZMNKTIOLQAEANC-UHFFFAOYSA-N 412.450 1.189 30 10 HDEE N#CCN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1650789109 NOFVZESEOFFXSE-UHFFFAOYSA-N 402.296 1.861 30 10 HDEE CSc1nc(O)c(C(=O)N2CCOC23CN(C(=O)OC(C)(C)C)C3)cc1C#N 1653853799 DYZLROKLZFVFJU-UHFFFAOYSA-N 406.464 1.800 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)CC1 1656396631 FFTBLLBZFNMQFK-BBWFWOEESA-N 403.493 1.636 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1656945489 DIHCXRQGNSZQDS-NWDGAFQWSA-N 408.450 1.561 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)C1CCOCC1 1670502296 JRXQHCMMFYRDKY-OAHLLOKOSA-N 416.521 1.164 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)NCC#CCN(C)C)C2)cc1 1676930462 QPKOEVJTHBHIAP-SFHVURJKSA-N 406.552 1.260 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 1677532051 QGSUDZSFAKTANT-INIZCTEOSA-N 407.417 1.953 30 10 HDEE N#Cc1cccc2c1CN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 1681438640 SAXGCCGPBSIYLE-UHFFFAOYSA-N 400.416 1.966 30 10 HDEE COCCCC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1682309885 SAUPVUBVTRFPSK-GOSISDBHSA-N 411.462 1.945 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C1CCOCC1 1683404990 QBSBOBOLOXOLAJ-FUHWJXTLSA-N 405.470 1.467 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 1683533667 ACBRARVXRHVIAO-KOMQPUFPSA-N 405.476 1.480 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 1686055187 GZIANVJHMILNSK-UONOGXRCSA-N 414.528 1.260 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 1686171631 GILVAMVVNCJDAW-IBGZPJMESA-N 404.461 1.853 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 1686922434 JAWJBOQORJSVPN-KRWDZBQOSA-N 408.861 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1689860894 KJKAFECQRDMNDA-INIZCTEOSA-N 424.505 1.384 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@]2(O)CCO[C@@H]2C)c1 1689873335 FEKONVVTCBOWQR-WAIKUNEKSA-N 423.517 1.827 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1689926529 QWUZREVBYWSIOK-GOSISDBHSA-N 421.549 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1690003524 PTMMSOXUJTYJKO-UHFFFAOYSA-N 422.514 1.424 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1690020021 XCVZLFHOJIAJSX-INIZCTEOSA-N 415.494 1.184 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)c2ccccc2)CC1 1690109201 KAISZLOTNMFROF-IBGZPJMESA-N 410.522 1.559 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1690109299 MWLWXCTWYPNYKQ-RBUKOAKNSA-N 414.554 1.330 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690485468 UHIFZLQVWMMGOB-MSOLQXFVSA-N 423.583 1.305 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690646243 MEBYTLPHJVDTTA-KRWDZBQOSA-N 404.540 1.558 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccs1 1690669765 OJYROBPIEHPBJT-UONOGXRCSA-N 400.508 1.934 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690673116 OSCZAJVRAPLPFQ-QGZVFWFLSA-N 422.493 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOC2=O)C1 1690712208 PNTUAUZGYXPUAU-INIZCTEOSA-N 418.498 1.024 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1690715357 JPAKHKXQVASFFY-CVEARBPZSA-N 409.556 1.594 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cnccn2)CC1 1690715806 VJWKDWVSCOBDMK-UHFFFAOYSA-N 405.528 1.119 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690723257 MCKTYKOWIQNURX-CVEARBPZSA-N 407.540 1.394 30 10 HDEE CC(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690919911 CSQLWLUUVAFAKO-ZPHPHTNESA-N 415.498 1.033 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1692491787 DFLGGAQTGSNJLE-VGOFRKELSA-N 410.522 1.887 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1696850763 GVTQRURONNBKDI-HNNXBMFYSA-N 403.512 1.243 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1697285848 FHEXPOIZNQZPFX-ZDUSSCGKSA-N 404.858 1.424 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C)OC 1697755716 KFZBGKCYWPVAJS-QGZVFWFLSA-N 414.510 1.829 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CN(C2CC2)C1=O 1698228429 WCZBCUMWKRCQNQ-IXAFZWLNSA-N 416.526 1.751 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)CC1 1698490017 HGVRCLCUTPZBSY-AWEZNQCLSA-N 413.507 1.461 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1705532429 AGCDLAHMXPHPOG-GOSISDBHSA-N 400.527 1.191 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1705570618 PCCXDOZOZIMVHM-CQSZACIVSA-N 407.565 1.729 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705617391 SNXAGKHSXNRSBH-QZTJIDSGSA-N 402.543 1.359 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CSCCS2)CC1 1705648392 VJYWQFLQZSKHBG-INIZCTEOSA-N 405.593 1.970 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC=CO2)CCOC1 1706680576 SDPKREROVFEVFX-MBOZVWFJSA-N 403.483 1.740 30 10 HDEE COCC#CCN[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1ccc(OC)cc1 1707284138 WOKKSGMRLRGYRE-UUGMPZBJSA-N 410.514 1.652 30 10 HDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCC(F)F 1707908959 DSQYDYXFMFIBRS-UHFFFAOYSA-N 407.425 1.932 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1712287716 KMGMXYPMZPRDQI-ROUUACIJSA-N 424.505 1.583 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1712328835 CNRMSFHMJNAWGR-HXUWFJFHSA-N 415.494 1.741 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OC 1712530827 NEZNLHDUJHNFDF-KUHUBIRLSA-N 404.446 1.896 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CN(C)C1=O 1722376966 KDOCSQZWSVEBHU-JOCHJYFZSA-N 407.474 1.513 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722507363 FGBJEBQZENFUGY-WMZOPIPTSA-N 411.572 1.587 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1722550058 FKPGGANFMLTMPU-ZDUSSCGKSA-N 406.874 1.863 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C)C1=O 1723387010 HIIBOMHSCLCOBD-OAQYLSRUSA-N 415.542 1.759 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@@H]1C 1723779104 GWSMUDPEMZGZSR-WHSLLNHNSA-N 409.494 1.795 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@H](O)C1 1730758527 BKHXCDSBXYTKIE-IAGOWNOFSA-N 404.515 1.432 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1740603333 OLYDNAVUKWOTHV-INIZCTEOSA-N 417.535 1.139 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(O)(CCC)CCC)CC1 1740694378 IFAGDJMVCOCDNV-KRWDZBQOSA-N 402.543 1.316 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCN(CC)C2)CC1 1740701021 RJVUGXXFVKQONH-AABGKKOBSA-N 416.570 1.099 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](CC)C1 1740717660 XZHGCHXTKCCPPO-HUUCEWRRSA-N 414.622 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740759762 DSZMYZGZKYEVBQ-NCOADZHNSA-N 410.540 1.387 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ncccn2)CC1 1740767162 MZEDGZPHBXQOCI-IEBWSBKVSA-N 413.526 1.912 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740885618 KSGBQVYGFGRARB-IAGOWNOFSA-N 404.515 1.174 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1)C1CC1 1740911123 WONDXOASQPLFGC-INIZCTEOSA-N 420.539 1.226 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCc2oncc2C1 1740955057 LEDWYRNRDXSCMO-UHFFFAOYSA-N 424.461 1.815 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1741654556 BXENXAQHGAYQFQ-OAHLLOKOSA-N 401.515 1.461 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1742021419 CKCQJOMWMHFULR-INIZCTEOSA-N 424.465 1.129 30 10 HDEE C#CCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764509 QLBRJGNVVFZOSF-DENIHFKCSA-N 412.538 1.909 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748791602 WYUYGPNYGAKFOO-SFHVURJKSA-N 408.506 1.200 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C2CC2)CC1 1748830352 UYPBOENUSUKEOJ-QHCPKHFHSA-N 411.550 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@H]1C 1748892664 USDHPLFHCREFLF-MBOZVWFJSA-N 404.536 1.194 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CCC)C2)CC1 1748971129 DSDHJVDFKSOUAT-LJQANCHMSA-N 413.570 1.001 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(CC)CC)N(C)C)CC1 1748990580 YSHHJYKRLSLOSL-WOJBJXKFSA-N 402.587 1.904 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749037879 HOMNDIGCRZZPMI-BEFAXECRSA-N 405.524 1.569 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749194271 ZMCBFOILYQNTJB-LSDHHAIUSA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1749445498 PVBHLEOFMFRWAE-KDURUIRLSA-N 418.586 1.806 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1749669604 IXWAMZVOSDNXAN-UHFFFAOYSA-N 421.567 1.786 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)C1 1749706066 MYWUAEWLKBNFNF-QGZVFWFLSA-N 418.523 1.157 30 10 HDEE COCCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1749715434 KWRKWWOOVKUFIJ-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1750087561 AVBARYLIBLXVKR-ZIAGYGMSSA-N 403.508 1.599 30 10 HDEE COCCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750098092 XBPPIZRJOJSIAL-HKUYNNGSSA-N 418.542 1.402 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H]1COCCO1 1750139262 KYYBWOLEMFPVPM-CYJAXWMASA-N 409.462 1.250 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1760135979 OXTQECBJZSHBDZ-LJQANCHMSA-N 408.506 1.971 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760190420 QNKBLZVYXNMRJW-GOSISDBHSA-N 414.531 1.914 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CCC)CC1 1760251703 GSGRXNQDJWPGPV-NRFANRHFSA-N 411.510 1.232 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCCCO)CC1 1760254829 MNJSHNYWKHYFAO-UHFFFAOYSA-N 403.914 1.753 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)CN(C)C)CC1 1760268931 RKXZYUGCENYAER-UHFFFAOYSA-N 424.553 1.289 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760310511 IECHLJRSZQAVNJ-KRWDZBQOSA-N 423.315 1.168 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC1CC1 1761020565 LEIADFLXUUEIRY-UHFFFAOYSA-N 409.494 1.538 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1761238038 HUJOJNPDTBVDDC-CYBMUJFWSA-N 417.436 1.029 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761369245 OBEYJVMAPAIILW-JPWUFHEYSA-N 415.498 1.162 30 10 HDEE CCNC(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c1 1765622591 AFCIKYQZLRESPY-GOSISDBHSA-N 419.489 1.810 30 10 HDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C2CC2)c1 1766940038 FRMZQBQJXAZXBX-HNNXBMFYSA-N 402.480 1.259 30 10 HDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1770653207 MRERICBAEBOMMF-KFWWJZLASA-N 406.487 1.424 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2F)CCO1 1771538312 AZWNUEYQMRBUHA-MRXNPFEDSA-N 409.425 1.606 30 10 HDEE C[C@@]1(CCc2ccccc2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772790683 SIUIQRAYUDMETO-QFIPXVFZSA-N 421.409 1.684 30 10 HDEE N#CCC(=O)NCCOC(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1851440076 ZCUJHFXXUDBARO-UHFFFAOYSA-N 414.441 1.191 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(CCCS(C)(=O)=O)CC1 1851960603 VEOOYCZQOQCGKS-UHFFFAOYSA-N 414.959 1.754 30 10 HDEE O=C(COc1cncc(Cl)n1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852765853 OOPUVLZZJJULTA-UHFFFAOYSA-N 400.766 1.769 30 10 HDEE CC(C)CO[C@H](CC(=O)N(C)c1snc(N2CCOCC2)c1C#N)C[N+](C)(C)C 1852806753 JHISDLDSAMVAKF-MRXNPFEDSA-N 424.591 1.952 30 10 HDEE O=C1CC[C@@H](C(=O)N2CSC[C@@H]2C(=O)OCC#Cc2ccc(Cl)cc2F)N1 1852892267 XGGYDNBQGFOQCW-LSDHHAIUSA-N 410.854 1.554 30 10 HDEE CC(=O)Nc1ccc(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1853233510 KVALZKRBARPTGC-UHFFFAOYSA-N 407.474 1.820 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4cccs4)C3=O)CC2)CC1 1853675601 LFZAJMYTFYETKF-KRWDZBQOSA-N 414.531 1.963 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)cc1 1853752478 VXRIJYGQIAYPIR-UXHICEINSA-N 406.490 1.765 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@@H]1CCS(=O)(=O)C1 1853850446 OXHJTMUQXGUBJV-RHSMWYFYSA-N 424.482 1.912 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1=O 1854319465 XAAVEVGRDVXPQE-CQSZACIVSA-N 410.400 1.329 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)C4CCC4)C3=O)CC2)CC1 1854340499 XZTKOCXWXYFJQL-IBGZPJMESA-N 400.523 1.778 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C(C)(C)C1=O 1854531935 INDBDQDFVFJWAY-UHFFFAOYSA-N 408.476 1.562 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1c(F)cccc1F 1854605484 FIKPMSXYENFRRS-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CC(C(=O)N4CCCC4)C3)C2=O)cc1 1855782439 AONVQADRGFFJAJ-FQEVSTJZSA-N 408.502 1.563 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(Cl)cc3)C2)CC1 1857026092 HDNYMHVIHRJSRB-HNNXBMFYSA-N 409.895 1.894 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1857387355 KRTNTAQSNGVRKV-LPHOPBHVSA-N 412.465 1.932 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)s1 1858425410 JQMINFQLZFOPNT-GFCCVEGCSA-N 420.476 1.017 30 10 HDEE O=C([C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCC(CO)CC1 1869929793 NNPIJYWQAYRWPE-LJQANCHMSA-N 413.499 1.697 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@](F)(C(N)=O)C2)[C@@H]1c1ccc(C#N)cc1 1889291156 HWEBBZZOLOEDFB-ABSDTBQOSA-N 418.494 1.378 30 10 HDEE C=C(Br)CS(=O)(=O)NCC1(CCO)CN(C(=O)OC(C)(C)C)C1 1982812977 NYVVGDKUGVNGFJ-UHFFFAOYSA-N 413.334 1.434 30 10 HDEE C=CCn1ncc(NC[C@@H](O)CNC(=O)OC(C)(C)C)c(Br)c1=O 2011424756 OFKUSSULLFGUKY-SNVBAGLBSA-N 403.277 1.489 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2085615080 YCTIKGHAQHOQFF-INIZCTEOSA-N 404.488 1.507 30 10 HDEE Cn1nnc(Br)c1C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2141678254 NCRPRHUBPVPUJE-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE C#CCN(C(=O)[C@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180119137 FPBRLYHNOBWOSV-CABCVRRESA-N 418.581 1.670 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2195308010 LWEXJHNPDPWFFH-SEDUGSJDSA-N 402.513 1.538 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2243429883 JTDKJSQAVJCFMB-CABCVRRESA-N 408.304 1.355 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247828295 NEFCEAYLSFYCTQ-KSFYIVLOSA-N 408.311 1.713 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247919555 WXPNFBCZGCPTCM-BETUJISGSA-N 420.319 1.742 30 10 HDEE C[C@@H](CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(N)(=O)=O 2267569747 ZNEBXOTUFSFXCC-QMMMGPOBSA-N 408.738 1.108 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270522405 UBHGEZZUNJZGRK-ROUUACIJSA-N 422.503 1.423 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1N(C)C 2282330088 VGOFLPGOXXSSFJ-OLZOCXBDSA-N 400.375 1.618 30 10 HDEE CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282350309 LBBYVQBXEVMDJG-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(O)(C(F)(F)F)C3)c2)OC1(C)C 2282420429 YYALSWDAICMOJJ-UHFFFAOYSA-N 413.248 1.345 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1csc(=N)[nH]1 2282489220 FSHGZSBAKGYXFQ-VIFPVBQESA-N 415.371 1.956 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NOC3CNC3)c(Cl)c2)OC1(C)C 2282498078 YOEGQZUDVQNEHB-UHFFFAOYSA-N 423.127 1.474 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@H]32)OC1(C)C 2282501717 AUJVLFAKHAUELR-LOWVWBTDSA-N 400.331 1.039 30 10 HDEE COC[C@@H](C)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501977 DYRPHTWNKUIHFK-NEPJUHHUSA-N 404.363 1.533 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282529815 LTOHCPZVHQWBRA-OAHLLOKOSA-N 402.300 1.996 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(CO)CCCO3)sc2Cl)OC1(C)C 2282617169 ICAJNMNLHPQWRZ-QGZVFWFLSA-N 401.721 1.972 30 10 HDEE C[C@H]1NCCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842658 AZAXUFUBOKMGLG-OCCSQVGLSA-N 400.375 1.607 30 10 HDEE CN(C[C@@H]1CCCCN1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847625 BKDZBDVAAVLVFT-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCSC1 2282856141 OFMWVCJIJOJAJC-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](N)CC(F)(F)F)OC1(C)C 2282868879 UMXIFKQNFMJQOB-VIFPVBQESA-N 414.280 1.605 30 10 HDEE CC1(C)OB(c2c(Cl)cccc2C(=O)NCCCS(N)(=O)=O)OC1(C)C 2283110822 ACZZKDMTACCJQP-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284396213 BSHSDZJJCUYROZ-UHFFFAOYSA-N 403.331 1.145 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@]2(C)C(=O)O)OC1(C)C 2284414002 CVOVXINVDQNHTD-MRXNPFEDSA-N 401.315 1.426 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3CC(N)=O)s2)OC1(C)C 2285737711 HPQHBGDFSJCFQA-LLVKDONJSA-N 400.331 1.076 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288911634 LROQDTDBKRYCRL-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE CN[C@@H](C#CC1(SC)CC1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2336214678 KNNAMWYGZGXAOW-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE NCC#Cc1csc(Cn2ccnc2CCCN2C(=O)c3ccccc3C2=O)n1 2342913504 AFCCATSFIGSZFQ-UHFFFAOYSA-N 405.483 1.927 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@H]2[C@@H](C)O)c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c2csc(S(=O)(=O)NC[C@@]3(O)CCCSC3)c2)OC1(C)C 2369680181 BGMVJTNVFOPADV-INIZCTEOSA-N 419.399 1.584 30 10 HDEE CCc1csc(C#C[C@H](NC)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)n1 2379893946 PYGWXHZUAWZVOH-AWEZNQCLSA-N 413.565 1.679 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc(NC(C)=O)c1 10063384 GKRSRXIBHTYEKO-UHFFFAOYSA-N 417.491 1.367 30 10 HDEE CCSc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)s1 59310925 VYAYCAYNGNNXKZ-LNKIKWGQSA-N 424.541 1.679 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Cl 61369910 SRDAYSDXKAXPTF-UHFFFAOYSA-N 419.894 1.941 30 10 HDEE N#Cc1cc(N)c(OCC(=O)NC2CCOCC2)c(I)c1 62767566 KCNPNRGAHVRKBW-UHFFFAOYSA-N 401.204 1.419 30 10 HDEE C=C(C)COc1ccccc1NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCC 66062801 MMJMEMHWWUYEQA-KRWDZBQOSA-N 403.479 1.724 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)Cc2ccccc2Cl)CC1 301359512 LLWYJHUYHZHQCN-UHFFFAOYSA-N 418.906 1.750 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409942650 OHRSBBSPPHBVDN-FZMZJTMJSA-N 417.267 1.703 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)C2 410390819 QHLFJIPZCZJJDC-BLLLJJGKSA-N 418.393 1.777 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 410399220 NVEPZDQKQGPHQU-UHFFFAOYSA-N 413.415 1.735 30 10 HDEE C[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCN1c1nccn2cnnc12 433818389 DXPDBZUWEYFQSD-HNNXBMFYSA-N 406.450 1.295 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 435653368 GELLKXVHCFHLIG-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 460810473 RLNHUBCCYWSSBT-OAHLLOKOSA-N 423.564 1.811 30 10 HDEE CN1CN(C(=O)C(=O)Nc2cc(C(F)(F)F)ccc2SCCC#N)CC1=O 462926964 NYIRFIABSZXDDA-UHFFFAOYSA-N 400.382 1.908 30 10 HDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 466666007 QPMCMNUPRGIHGO-UHFFFAOYSA-N 405.418 1.258 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc(C(=O)OCC)cs2)c1 469278887 NUVDOPVLWUGRTH-UHFFFAOYSA-N 423.516 1.757 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc([C@H]4CNC(=O)C4)c3)CC2)c1C#N 471966669 PKXJVJZWASRDTG-MRXNPFEDSA-N 407.478 1.558 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(COC)(C(=O)OCC)CC2)cc1 478442310 ILBVIFVQIIMYRM-UHFFFAOYSA-N 424.519 1.583 30 10 HDEE COCCOc1ncccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481532271 INZQPGCRHXYWPG-CYBMUJFWSA-N 404.448 1.284 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1 498420656 CQFPDSVCULTRIT-UHFFFAOYSA-N 420.512 1.968 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 505672238 YJUYTBYGXLSFNI-ZVDOUQERSA-N 417.469 1.784 30 10 HDEE Cn1c(=O)nc(O)c2c(C(=O)N[C@@H](C#N)C3CC3)cc(-c3ccc4c(c3)OCO4)nc21 511378326 LNVCEXLVPVPRKD-AWEZNQCLSA-N 419.397 1.462 30 10 HDEE N#CC1(CNC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CC1 520296890 AROWPXUHHLOKHM-ZSXPZZPQSA-N 401.466 1.886 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2nc3cccc(C)c3[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 533152307 QDBNADBWLTVPEI-CYBMUJFWSA-N 416.441 1.869 30 10 HDEE N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 534066814 XUHOWTZKYOJLRN-UHFFFAOYSA-N 409.471 1.441 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 534494694 SMCYZDTVXNEOSY-GJZGRUSLSA-N 424.486 1.683 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 540338377 QVALPCBVMKXHFF-AZUAARDMSA-N 405.587 1.551 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cn1C 540343387 QTRJWCVFGODLGO-QGZVFWFLSA-N 415.519 1.126 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C#N)c(OC)c2)c1 568805331 BGSJVUYPUOSILI-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 569797951 JFYCYFKSAHSOBO-HNNXBMFYSA-N 413.496 1.165 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 583276379 XLWAQTZAYZNLTG-ZCNNSNEGSA-N 418.586 1.937 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 588682189 OUOLIPVXQXREDH-NSHDSACASA-N 407.897 1.475 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc3sccn3c2=O)cc1 604545571 KJEBDUBZVHUNPT-AWEZNQCLSA-N 411.468 1.781 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNc2nccc(C(F)(F)F)n2)CC1 610026675 CJUKVAFPWZFSCD-UHFFFAOYSA-N 420.399 1.706 30 10 HDEE Cc1nc(=NC(=O)C2CCN(Cc3nccn3C)CC2)n(-c2ccc(C#N)cc2)[nH]1 610233053 SYKUVKCAZZPQPB-UHFFFAOYSA-N 404.478 1.454 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)C[C@@H](C)O1 614159930 YDGHXAQMHSVQJX-QZTJIDSGSA-N 420.579 1.959 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731213471 DAUIRGNMASMEQX-QZTJIDSGSA-N 420.531 1.490 30 10 HDEE C#CCN(CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCS(=O)(=O)C1 731213613 HTDLZURSTVODKK-ZDUSSCGKSA-N 419.366 1.591 30 10 HDEE C#CCN(CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 731213733 PYNBPAIGPMKHOA-IBGZPJMESA-N 404.532 1.317 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 732465527 HGHZCVMRSJPBFX-ISLYRVAYSA-N 403.870 1.698 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732561537 PAFIZHZVFHYTLD-OAHLLOKOSA-N 400.504 1.033 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CCN1C1CC1 732651539 BXJRMZGMLUEWKI-LQWHRVPQSA-N 414.506 1.915 30 10 HDEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732668930 LIMZGSAZNDBUGW-YOEHRIQHSA-N 402.882 1.961 30 10 HDEE C#CCCNC(=O)N1CCN(C(=O)c2ccccc2I)CC1 733356342 PKLAQINCRLDUMY-UHFFFAOYSA-N 411.243 1.782 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Cn2ccccc2=O)cc1 735852644 KJMJFPRGCYMAJG-DQRAZIAOSA-N 406.442 1.429 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncc(CC)s3)CC2)c1 742130961 ZNQFBTOXZXOKOJ-UHFFFAOYSA-N 418.544 1.579 30 10 HDEE COc1ccc(CNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N 747403175 OSAWNWLXNNZERA-UHFFFAOYSA-N 403.460 1.849 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 750417231 RPWONZPTUWXCAT-UHFFFAOYSA-N 407.835 1.993 30 10 HDEE COC(=O)c1cccc(COC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1C#N 756137628 GASIRCBAGMKSBD-UHFFFAOYSA-N 413.430 1.889 30 10 HDEE COC[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472327 WVGPHUVJVHTEKP-HXUWFJFHSA-N 422.437 1.744 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)c1 763436326 HPUUVGIIJIYJAF-UHFFFAOYSA-N 408.458 1.158 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCOC[C@@H]2CCO)CC1 765432386 ZHEBEHYYXXDLCP-HNNXBMFYSA-N 400.435 1.632 30 10 HDEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCCOc1ccc(F)cc1 765593734 IVIQCJWOJFSHID-UHFFFAOYSA-N 414.393 1.618 30 10 HDEE C=C[C@@H](CC)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 776103931 CATZVOCHYFEHNZ-INIZCTEOSA-N 424.519 1.816 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1-c1cccc(Cl)c1 777247557 HKPOZMCRUVQBNI-KRWDZBQOSA-N 412.881 1.971 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780904203 OCMJTTCIDADCBQ-SFHVURJKSA-N 416.478 1.129 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)n1 788370237 PQQYRGDLHAWDTO-UHFFFAOYSA-N 423.473 1.534 30 10 HDEE C#C[C@H](NC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@@H]1CCCO1 793934786 AZSCRCQNHHXTJB-ICSRJNTNSA-N 414.502 1.465 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)[C@H](C#N)c1nc(O)c3ccccc3n1)C2 796520455 SLVHOLVGMDGADC-XLDJFRKUSA-N 410.430 1.023 30 10 HDEE C[C@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)n1cnc(C#N)n1 798350651 LQXKPYPXEUEIMS-GYBQTFJISA-N 414.422 1.703 30 10 HDEE C=CCN1CC[C@@H](OC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)C1=O 798586922 SNMLBPBJWRCHPZ-LSDHHAIUSA-N 411.480 1.022 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1F 801362341 HMIFTXRFPDLKHN-ZIPFOMIPSA-N 416.409 1.360 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 805786917 WXGDFQWSTARFRA-SFHVURJKSA-N 416.503 1.466 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 811937403 BXNGKYDTFIFVBF-UHFFFAOYSA-N 423.491 1.219 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H](c2cnn(C)c2)C1 849569226 SGYAWKOFVMMDBA-SJLPKXTDSA-N 412.542 1.502 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2cnn[nH]2)cc1 1136332156 ZHJYVBPFGKQHCL-XLNRJJMWSA-N 404.496 1.969 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 1137537015 FLLUXIUDVLFPKG-WBVHZDCISA-N 413.503 1.214 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2nnn(-c3cnn(C)c3)c2C)C1=O 1139677475 OORMWIDXNQYDJT-IBGZPJMESA-N 416.486 1.625 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1141500286 CYPFCNJNYFFVFN-LSDHHAIUSA-N 416.540 1.841 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)Nc2cccnc2)s1 1142827420 HZFRLUPQPRYTQJ-UHFFFAOYSA-N 408.505 1.295 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1146222398 YUUVWMYICNNRPT-LJQANCHMSA-N 402.472 1.784 30 10 HDEE CC(=O)N[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1cccc(Br)c1 1150000145 IBLYVCDRAUBLOB-MRXNPFEDSA-N 407.268 1.211 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1157502237 SVIDKKVHAFTJIP-KRWDZBQOSA-N 421.494 1.754 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)s1 1164061100 KANWBPQLSFTZHV-LSDHHAIUSA-N 412.533 1.413 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)cc1 1164391834 DCLLJOJZYKIOSR-JOCHJYFZSA-N 411.527 1.993 30 10 HDEE CN1C[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1168653904 VUMZKAWNVQNUKP-QGZVFWFLSA-N 413.478 1.259 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1196393522 PDRWUVWOMPRESL-ZTNFWEORSA-N 407.536 1.906 30 10 HDEE Cn1c(=O)c2cc(NC(=O)N[C@H]3CCCc4cc(C#N)ccc43)cnc2n(C)c1=O 1198127202 DHIZEVOEQJKMRP-KRWDZBQOSA-N 404.430 1.703 30 10 HDEE C#Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 1273513353 FOKTYCXYHCKFTO-UHFFFAOYSA-N 402.447 1.758 30 10 HDEE C#CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5CCC[C@@H]54)[C@@H]3C2)CCOCC1 1281977246 GSFNPQFGVCCZKZ-LCWAXJCOSA-N 400.519 1.681 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCCC2)CCOCC1 1286359159 SCOYGXGPCYYOHH-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286372328 QKNGXRZJQNZVCL-OWCLPIDISA-N 416.526 1.944 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cn2ccc(C)cc2n1)[C@@H]1CCS(=O)(=O)C1 1286390920 APFZRZOJXPENNF-QGZVFWFLSA-N 412.519 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCN(C)C1 1286432588 PXBICXRLXSNGPV-XMMPIXPASA-N 405.546 1.983 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccco2)n1 1286471917 SZKMQGAGRJDOQS-SFHVURJKSA-N 423.477 1.353 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1286479046 INVBXIWYTVNNDQ-UHFFFAOYSA-N 413.547 1.504 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nnc(C)s2)CC1 1286482303 PSEPDPDSWMFJTL-UHFFFAOYSA-N 414.564 1.597 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](C)C1 1286496101 NFJJNAPQODVARR-GASCZTMLSA-N 400.508 1.905 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286504665 VBTZRQMPLYJJRA-INIZCTEOSA-N 411.535 1.693 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1286591641 OBKQYTFRFJVDGD-YLJYHZDGSA-N 424.553 1.690 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286606265 LCHDQULEZSSNID-IAGOWNOFSA-N 416.526 1.413 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1286606525 SCCNDEUFNNWPIF-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286777151 FFVZVXWZWFTBCW-UHFFFAOYSA-N 402.474 1.392 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286789603 GFMWAXQERYDPKZ-SJLPKXTDSA-N 413.526 1.446 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1286794225 ACAHVBKHZTVXTD-INIZCTEOSA-N 405.462 1.660 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1290145798 NRAUMZNCFFNYSE-RDJZCZTQSA-N 409.494 1.904 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)on1 1290971549 WACXFTWHERRDIA-LPHOPBHVSA-N 402.455 1.392 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1292106906 APLVBDKMOLNRHP-UHFFFAOYSA-N 407.430 1.664 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300502832 YKCQBCAFCHTRHJ-IRXDYDNUSA-N 422.576 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ncccc1N(C)C 1300506162 NRWBQHTWABHHPW-UHFFFAOYSA-N 407.522 1.779 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nccnc1C 1300595468 BHKMAFOMPQKEGH-ICSRJNTNSA-N 408.506 1.806 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1300601319 GBCHNZKUJRAMCQ-WMZOPIPTSA-N 418.567 1.651 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CC)CC1 1301105488 KEIRRHYNSAVABE-WBVHZDCISA-N 410.588 1.775 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cccs2)CC1 1301491759 XXTYZCFXZWMVBO-UHFFFAOYSA-N 411.535 1.959 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301491927 RKWGAHPTNICELU-OAQYLSRUSA-N 421.461 1.150 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301508441 LTMAOAUNWZZPOY-LJQANCHMSA-N 415.586 1.138 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301509649 JXUTUCJAIVTHAX-INIZCTEOSA-N 412.494 1.135 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C(N)=O)C1 1301515359 SWJZDBSEQMVMQL-MRXNPFEDSA-N 412.494 1.033 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1301656503 CLHMJDOMWJLVKS-UHFFFAOYSA-N 414.469 1.903 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302979037 MYNXZVZYXPTALD-ZBMSZTRUSA-N 421.436 1.913 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1303652057 GQPPNJBCNOCJEU-VFNWGFHPSA-N 414.510 1.836 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OC 1303688673 ZEGQNLJONLVDGA-KURKYZTESA-N 404.463 1.773 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1303710498 IPJNBEPSIYOSLM-CXAGYDPISA-N 407.492 1.463 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCn2ccnc21 1303807995 QLSDMNIQYVHUGN-QLFBSQMISA-N 420.543 1.401 30 10 HDEE CC[C@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305505025 GTFNUMISZNEFTO-IUTYPILCSA-N 402.499 1.933 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1CC 1305753950 BGXCUILNMXVZSL-GOSISDBHSA-N 403.466 1.298 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 1309564845 CBPBLNZKPVGWDO-WCQYABFASA-N 422.320 1.808 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)C(F)(F)F)ccc2OC)CC1 1310230229 UJFJIGZTJSCVND-UHFFFAOYSA-N 406.382 1.981 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CC1 1312538952 NZNVAHKLOMVWMA-VYMRPNJYSA-N 418.519 1.719 30 10 HDEE N#CC1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCOCC1 1313404689 GQFUMMQQVAFMMN-HNNXBMFYSA-N 421.295 1.952 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1314270213 BNOKKIBHYXFVQD-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1314867826 BMKFWOGUWRDDGU-UHFFFAOYSA-N 402.466 1.831 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H]1F 1316487465 RNGHWWSWYOHZLK-CJNGLKHVSA-N 406.487 1.502 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1316540061 SZTHUIXHXJCNBW-GVDBMIGSSA-N 403.870 1.867 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1354679948 DJHYWFQIMBTCSF-UHFFFAOYSA-N 412.450 1.232 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960530 GSQMIIUTXQBIOG-DLBZAZTESA-N 415.519 1.393 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359085519 QVSXKSUULLPOSN-CABCVRRESA-N 417.311 1.887 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359224998 JOFSBGIWPUHSHN-UHFFFAOYSA-N 405.524 1.946 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1359262657 AKOBFRPEVVGZAU-JXFKEZNVSA-N 416.551 1.550 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359292447 PJVCHEHMDUGBLK-FOIQADDNSA-N 401.515 1.579 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC3(CC2)COC(=O)N3)n1Cc1ccc(C#N)o1 1360212917 JROCIJPPUZTDBX-UHFFFAOYSA-N 413.438 1.008 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C2CC2)C2(C(=O)OC)CCC2)ccc1F 1436997941 ZIILGHPTUSZZAV-UHFFFAOYSA-N 410.467 1.990 30 10 HDEE C=CC[S@](=O)(=NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)c1ccccc1 1456893729 HMVRBHSJUFDTIV-MUUNZHRXSA-N 404.448 1.933 30 10 HDEE C#CCN(C(=O)CN1C(=O)COc2cc(Br)ccc21)C1CCN(C)CC1 1462998122 MLAQAAQKARHNCN-UHFFFAOYSA-N 420.307 1.731 30 10 HDEE Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC3)c1 1464923458 JBKQQLJIWMGTTG-VFOOBRQFSA-N 420.473 1.459 30 10 HDEE COCC(=O)N1CCc2c(NC(=O)N3CCN(c4cnccc4C#N)CC3)cccc21 1466115477 GZTHIDVCTFRMRP-UHFFFAOYSA-N 420.473 1.843 30 10 HDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 1467075617 FVHTUGKJFXXZAC-UHFFFAOYSA-N 413.475 1.442 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)n1 1467715275 HZENTJKAIFOYRI-RYQLBKOJSA-N 402.495 1.747 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(c2nc(N)nc(C(F)(F)C(F)(F)F)n2)C1 1472822295 NFVNTBFRBQZBHL-VIFPVBQESA-N 408.253 1.613 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C1CCOCC1 1478604034 RQYDPIFMGKMYKD-OALUTQOASA-N 415.490 1.532 30 10 HDEE CCc1nc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1498376868 WAQUDJLGFGKIND-WUKNDPDISA-N 401.496 1.768 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503491313 ONKBVYSVBSMSGT-LZICOFPGSA-N 423.477 1.340 30 10 HDEE COCCn1cc(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1504896675 DJWFJJUPIGYKLH-UHFFFAOYSA-N 422.493 1.828 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504899626 GTYLMBIOIQWASA-MGPUTAFESA-N 413.457 1.277 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507588908 CMCRGNAIPLDOHJ-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507611814 PUJYHBOOQPVMBJ-CABCVRRESA-N 401.433 1.852 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1507732919 YYJLFVVNJGFGLD-GOSISDBHSA-N 405.568 1.658 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508108961 JXBFROAGSPJIMK-GVDBMIGSSA-N 411.572 1.854 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC#N 1516846852 HPUBCMXRQRVGDC-ZDUSSCGKSA-N 420.495 1.351 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1517127596 IFLCHGFUKLJXID-IBGZPJMESA-N 424.505 1.828 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCCCO)c1 1521083670 ZDWJZMIJYZCOEA-SFHVURJKSA-N 410.478 1.027 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCc3ncncc3C2)c1 1526860726 SUMSPEDOMPIZMX-SFHVURJKSA-N 404.470 1.455 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CC2=O)cn1 1529543153 DYYSBJKXZDXOFL-HJOIGYKYSA-N 408.462 1.546 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1535786698 WQOMVFDWUKSNNP-WZONZLPQSA-N 418.453 1.617 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3ccccc3)CC2)C1 1538887048 IQAIYBJVXMTPKR-GOSISDBHSA-N 404.488 1.704 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 1538928874 VBDVSYVXWKIEHR-UHFFFAOYSA-N 401.492 1.523 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCNS(C)(=O)=O 1539035755 UIUIRTOUBQZKHG-AWEZNQCLSA-N 423.564 1.586 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1539036123 YKNPWQOQPIZVHN-OAGGEKHMSA-N 416.526 1.809 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539085901 TZOXIMIWDYMEJB-DJPFJPOOSA-N 401.511 1.665 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1539216791 XHFZIZVSUZVRFF-MRXNPFEDSA-N 424.486 1.116 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539222334 VMXGJQHTIGAGLM-SJORKVTESA-N 418.523 1.112 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CCOCC1 1539241362 CBTDAJASJALGTQ-UHFFFAOYSA-N 418.295 1.650 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCN1CCCS1(=O)=O 1539311432 MDNYEDGAWJCMEB-UHFFFAOYSA-N 411.531 1.752 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1539318016 KTUUHQUIKMSQNL-OAQYLSRUSA-N 416.529 1.750 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539492004 YVIFFAVLGGYEJC-MRXNPFEDSA-N 404.584 1.557 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1540043785 HOJMPLMOZNQXID-UHFFFAOYSA-N 411.915 1.528 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2)C1CC1 1540095868 YGABYIDZTDKIBH-GJZGRUSLSA-N 409.556 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2oncc2C1 1540902612 MWQWOOUXXQTBQZ-MRXNPFEDSA-N 407.496 1.671 30 10 HDEE CC(C)(C)OCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541230695 CNGYBHRNWLIZJD-KRWDZBQOSA-N 415.542 1.392 30 10 HDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1542139646 DFASRKPYQNRFOP-BEVDRBHNSA-N 416.457 1.789 30 10 HDEE C#CCN1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1544078416 HMCGKWKEJFJDBB-UHFFFAOYSA-N 406.504 1.179 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1554503883 MQNIWMUPYPMTLZ-UHFFFAOYSA-N 406.487 1.550 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCCCCO)c1 1555987647 LNUMYLPUCUMJSD-UHFFFAOYSA-N 403.508 1.604 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccccn3)n2CCCn2cc(CO)nn2)CC1 1555993852 FNZDNOSZFBNGOC-UHFFFAOYSA-N 421.509 1.568 30 10 HDEE NC(=O)c1ncn(C2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)c1N 1556335357 MUVXJEUUAFPSRE-UHFFFAOYSA-N 405.380 1.798 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1F 1557384275 LUPTWGQOIQHLPA-IBGZPJMESA-N 418.446 1.866 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccnc(OCc4ccccc4)c3)C2)c(=O)nc1O 1558805930 YOYZQZUJSVJHHT-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](c3cnccn3)C2)CC1 1560177193 PDAGXQZPWAGDRD-NQIIRXRSSA-N 408.481 1.814 30 10 HDEE C#C[C@@H](NC(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC)C1CCOCC1 1562591005 GBOJTRHHPJOGMY-MRXNPFEDSA-N 402.451 1.733 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1565496337 GMOIMNQSSZFZHJ-UHFFFAOYSA-N 416.906 1.060 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CC1(C#N)CCOCC1 1566483130 OSGFYPRUVLHOHL-UHFFFAOYSA-N 400.479 1.631 30 10 HDEE CC(C)(C)OC(=O)N1CCc2c(CC(=O)NCCn3cnc(C#N)n3)cccc2C1 1568736167 YKNURDRQLHIPHT-UHFFFAOYSA-N 410.478 1.802 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1583445367 NJSVHNYRDOZAOP-HXUWFJFHSA-N 412.506 1.656 30 10 HDEE C=CCC1(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)CCOCC1 1584509104 AHICAITZTBIZND-UHFFFAOYSA-N 407.536 1.616 30 10 HDEE C#CCN1CCCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 1586493788 HGHGFJYKCSIFBY-UHFFFAOYSA-N 402.438 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2ccc(OCC#N)cc2)C1 1586787942 XFAQLERAOJBSJU-INIZCTEOSA-N 423.491 1.952 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1586898932 MZQHGLZKWWPIMV-XOBRGWDASA-N 406.483 1.130 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1588229406 WIWOGOXMMCBUQW-GOSISDBHSA-N 414.535 1.009 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1588271718 NUIAGJLLKISLAM-SIKLNZKXSA-N 419.570 1.891 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588856777 BIKSWZVJFNSZJW-RDPSFJRHSA-N 423.561 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)NC(C)C)CC1 1588954438 HSEPBLFVDDEAOH-UHFFFAOYSA-N 400.527 1.111 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCCCO)CC1 1588955271 UNAMVJFTEZSNCG-UHFFFAOYSA-N 410.522 1.392 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)CCc1ccc2c(c1)OCO2)c1cc[nH]n1 1595378801 JLYJJGUVRHHRRI-ZDUSSCGKSA-N 416.434 1.560 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)C1 1595790439 LTPTYKLJHSCSBJ-CYBMUJFWSA-N 407.521 1.110 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N(CC#N)CCC(=O)OC)c1 1597332986 WOOIDLFFYDQDFL-UHFFFAOYSA-N 417.281 1.772 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1618806856 GUZPGVCTWLQKJC-UHFFFAOYSA-N 411.572 1.394 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1619511205 UZXBUIRYYZSKRS-SCYHOBCLSA-N 402.499 1.789 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CCO1 1620356503 ZVRZFENXHASGRC-AEFFLSMTSA-N 410.478 1.930 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1624465003 ITZITDRSUFAFIV-OAHLLOKOSA-N 415.556 1.587 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1625006020 JLTZEKNPCVWMJP-UONOGXRCSA-N 423.963 1.953 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)CSc2ccc(C#N)cc2)C1 1625384309 NGNOLOQTRZMYQU-UHFFFAOYSA-N 416.503 1.598 30 10 HDEE Cn1cc(CN2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)cn1 1627012278 SEIRLMHIBIZNFH-KRWDZBQOSA-N 404.515 1.651 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1627067653 ADVMGIKJONGXDK-HNNXBMFYSA-N 406.433 1.392 30 10 HDEE CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1627353470 NVVVRUROUMIBAW-FEDUSRTKSA-N 422.551 1.763 30 10 HDEE C#CCN(C(=O)CN1CCNC(=O)C1)[C@H]1CCOc2ccc(Br)cc21 1629238731 SWTLBKWSUDCQOY-HNNXBMFYSA-N 406.280 1.166 30 10 HDEE C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CCCC1 1634505267 TZYQIWLLEMMUPW-HNNXBMFYSA-N 404.536 1.591 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1634555076 PHMYWOXPRWDBOZ-IBGZPJMESA-N 419.547 1.504 30 10 HDEE CC(C)N1CCN(c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)CC1 1637506298 UFTKDJQPJUQCJJ-UHFFFAOYSA-N 422.489 1.048 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1638054396 UAVGEKGCLYKRJR-OAHLLOKOSA-N 423.539 1.902 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)C1 1638398418 VFHFSESSPKGFJA-SQWLQELKSA-N 407.458 1.235 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Nc3ncccn3)C2)ccc1F 1638962305 SZKZNXJZGPFTBD-CQSZACIVSA-N 405.455 1.407 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 1640541779 FYFJESPUTXUTFM-IFXJQAMLSA-N 417.462 1.964 30 10 HDEE COC(=O)[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CC1 1640843729 SVRZWBDOHJALJI-DOTOQJQBSA-N 412.446 1.469 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 1643888095 HXNGPFIMTBULEC-PZJWPPBQSA-N 416.485 1.716 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCOc3ncccn3)C2=O)cc1 1643965794 NIMZXXMBCYEZKQ-INIZCTEOSA-N 408.418 1.139 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)C1 1644589618 XMGPHAVBUPQGOY-UHFFFAOYSA-N 403.504 1.564 30 10 HDEE COC(=O)CC1(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCC1 1648291386 CXRTYAJKZFHKIQ-AWEZNQCLSA-N 407.492 1.465 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(Cc3nn[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1651238483 FFLQGZISYIDKMU-FQEVSTJZSA-N 402.499 1.774 30 10 HDEE C#C[C@@H]1COCCN1CC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2)NC(=O)N1 1654691085 DONXQTQMXSOQGF-QAPCUYQASA-N 403.866 1.845 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCCC3)nc2)CC1 1658883770 COLNNDALWBMCBE-UHFFFAOYSA-N 407.496 1.020 30 10 HDEE C=CCN1CCC(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 1661997927 XZHFIZSWBOKKRV-UHFFFAOYSA-N 419.547 1.879 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 1662966199 VKLIXZBALXHITN-UHFFFAOYSA-N 406.504 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](O)C1 1665084067 HTESTWVBGMUDSH-GJZGRUSLSA-N 415.899 1.860 30 10 HDEE C#C[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)[C@H]1CCCO1 1668698004 GCTINUHVVYWKBI-VVYDWRJNSA-N 421.338 1.921 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2OC)CC1 1678526003 SQDRBYMJVAOZSM-GOSISDBHSA-N 422.551 1.577 30 10 HDEE COc1ccc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)c1OC 1681636139 SPZZOIZELZXPAH-TYILLQQXSA-N 407.492 1.653 30 10 HDEE CO[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1681857137 FAEPCXWCNUOPRE-ZWKOTPCHSA-N 418.519 1.532 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1682789201 GJEPAHSYROYNAG-UHFFFAOYSA-N 412.581 1.336 30 10 HDEE C#CCN(CC1CC1)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685226873 IQNMEHZUADNKNK-INIZCTEOSA-N 413.540 1.465 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1686055498 KURRUDNSYLMBDZ-RRFJBIMHSA-N 408.503 1.143 30 10 HDEE C#C[C@@H](NC(=O)NCCCNS(=O)(=O)CC)c1ccc(Br)cc1 1686919987 QHMDANRNGHRSFD-CQSZACIVSA-N 402.314 1.752 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1689877056 PGVBEVRHHYVMME-HOTGVXAUSA-N 411.572 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690000289 XVCGXZCINZGNLH-ZWKOTPCHSA-N 417.579 1.853 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1690003511 PJYVTWZLTSFQHZ-QFIPXVFZSA-N 423.521 1.369 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690012322 ZGXWGWWWQZBHGN-ROUUACIJSA-N 409.538 1.639 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC1CC1 1690050982 IOHXVPGINNVQQX-UHFFFAOYSA-N 415.501 1.506 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1CCNS(=O)(=O)Cc1ccon1 1690203327 YJTKOCMNUNXSOD-GOSISDBHSA-N 404.496 1.255 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)CC1 1690375825 VGGVDENYOOWJAZ-AWEZNQCLSA-N 407.496 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1690720472 KHJVUQSRIIFYCX-HXUWFJFHSA-N 418.519 1.542 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1692661596 FCXVQVFYJCALHM-ZBFHGGJFSA-N 418.523 1.410 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)c1nccs1 1692693689 HXJMBWUCRYCHOF-OLZOCXBDSA-N 423.568 1.888 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1696971235 MFIPJLOXXWXTDH-GOSISDBHSA-N 424.436 1.472 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCO1 1697888383 FAHDIXCGTKNKGT-YWMUFLPLSA-N 413.478 1.208 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1698316362 WAOSIRQSNVUXLJ-CQSZACIVSA-N 418.523 1.824 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1705491128 YQOFWCANTSGXDO-HZPDHXFCSA-N 415.494 1.907 30 10 HDEE C#CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705522287 ZOSVMVJPXRYTHQ-XLIONFOSSA-N 424.567 1.746 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1705598852 RPKKNIXMJFITSG-HXUWFJFHSA-N 412.582 1.661 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCN(CC)CC1 1705667527 OBTJTUHIOUEMPK-JOCHJYFZSA-N 415.586 1.436 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705724858 VTTKMESWPLECIQ-ZDUSSCGKSA-N 414.432 1.700 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705754806 GIPMRKKKDQYRLD-CABCVRRESA-N 414.901 1.911 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)CC1 1705771030 DQQIMMIJMOFKNQ-UHFFFAOYSA-N 400.527 1.863 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1705865893 AHWPLSVFANZPLB-AWEZNQCLSA-N 423.564 1.570 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1711843472 CPTQQHPKCGIBBA-VBKZILBWSA-N 414.441 1.737 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1712317911 CPCGGBHFZDBRCZ-SPEDKVCISA-N 424.505 1.319 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722313699 XKJXVTVRMFOFJF-MRXNPFEDSA-N 419.493 1.676 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722362842 CFZKMMFUUSWPMT-HZPDHXFCSA-N 409.556 1.335 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](CN2CCOCC2)C1 1722543255 NMWFSMIHGXFUET-IAGOWNOFSA-N 413.950 1.913 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC1CC1 1722938253 LXRLIAAZUWLYQY-UHFFFAOYSA-N 423.521 1.928 30 10 HDEE CC(C)(C)OC(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1722998805 DCXHIWCBDXDHPC-IBGZPJMESA-N 421.477 1.481 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)cc1C 1724437804 HDJKVBDUNMPEAP-LJQANCHMSA-N 415.494 1.602 30 10 HDEE Cc1nccn1CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1725660041 NIMNDEXXFQQPOW-IBGZPJMESA-N 406.494 1.978 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)c1ccco1 1727602597 DAUVSAIPJNBXOM-OAQYLSRUSA-N 424.509 1.581 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1728422248 ZCGCTWSNELKIGO-MSOLQXFVSA-N 406.531 1.259 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C#N)o1 1729067418 WXYYLLHOADQJTH-UHFFFAOYSA-N 418.461 1.921 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](CCOC)C1 1729741041 GNFDFRRFPWLUPP-HNNXBMFYSA-N 418.523 1.229 30 10 HDEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1729805607 CLCGEUVDGHKGID-INIZCTEOSA-N 403.508 1.865 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)C1 1731181679 IVQNYJGVMVNGQP-GOSISDBHSA-N 404.471 1.231 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCC(=O)NC1CCCC1 1736508531 VFLHEGDPOGNFMT-GFEQUFNTSA-N 403.523 1.665 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740625451 FOIMZLJNNCHQRF-KPFFTGBYSA-N 406.552 1.672 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740678377 LDVBPUXYUWPPAD-NPPFBWRTSA-N 415.538 1.541 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1740690103 GRWKUXQWRDEUNX-IBGZPJMESA-N 408.550 1.611 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@H]2C1 1740719203 BOCKFVNSFBOWLZ-KRWDZBQOSA-N 402.568 1.441 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740806302 LXFOZEYGIMLSPH-AWEZNQCLSA-N 401.858 1.565 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740824893 DWCZIUCPJDIBMW-KRWDZBQOSA-N 417.535 1.829 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1740875436 CUOBRQAXRKLSDD-LSDHHAIUSA-N 405.528 1.616 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740892185 SBYCJYVSJUBCCP-APWZRJJASA-N 412.556 1.766 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)C1 1740973096 RBTLLCIYIGZMPT-OXJNMPFZSA-N 417.514 1.277 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1743880977 CLGNYDLUOLSVAL-HNNXBMFYSA-N 424.509 1.970 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ccc(C(N)=O)nc1 1748765701 QUVJMWLIRIGIKG-UHFFFAOYSA-N 417.473 1.759 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCCC[C@H]1C 1748771250 HJYSIQRFHSZQHH-IAGOWNOFSA-N 410.588 1.612 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C 1748951074 SENFMCFZXVWJDM-CQSZACIVSA-N 411.553 1.393 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OC)CC1 1748993893 PVZZTRDBXFLPCY-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ccn(C)n2)CC1 1748999144 KANNKGCMNXSEHP-UHFFFAOYSA-N 405.506 1.703 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1)C1CC1 1749508581 USPVEHPLKUJIFP-CYBMUJFWSA-N 418.523 1.190 30 10 HDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCCC1 1749651971 DKSHDBWPPPQVRE-UHFFFAOYSA-N 417.539 1.449 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749667233 VFBBLRBDKSLCRU-HRAATJIYSA-N 412.494 1.335 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(F)c1 1749668641 BXSHKNMCNHKSQK-OAHLLOKOSA-N 421.498 1.258 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749671472 BPWZCNLAZGWMTF-INIZCTEOSA-N 401.515 1.929 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749741027 NJXAUAOLHBJLFM-OAHLLOKOSA-N 420.583 1.831 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1750013912 IGJZPYUWLGHMPW-UYAOXDASSA-N 424.505 1.585 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCCN2CCCO)c1 1760128678 PGHJIKQPSUPMGF-HXUWFJFHSA-N 424.549 1.744 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1760219714 LNICNJIUSCOHDM-RBUKOAKNSA-N 424.526 1.647 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)n1 1760236765 JYGKWQYXDZQYSU-UHFFFAOYSA-N 403.494 1.737 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1760274000 FFEJKJXBWFXQPI-KGLIPLIRSA-N 417.626 1.587 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760436795 ZMOYJPQLLXSATO-SFHVURJKSA-N 410.526 1.444 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1760503850 QQRKENAWSUBBRA-INIZCTEOSA-N 407.515 1.093 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1760695106 AVFFZICOIRHUPG-BRWVUGGUSA-N 408.572 1.508 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COc2ccccc2O1 1761217749 ZIWNEUFNLNQGDO-VBKZILBWSA-N 414.441 1.698 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1766945779 DCIMGXAQQSAFJO-UHFFFAOYSA-N 417.539 1.285 30 10 HDEE CCOCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768129115 UNSFOAUJCVYWFD-CQSZACIVSA-N 407.496 1.556 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1770164636 QZTMUAOXSXOWPS-GOSISDBHSA-N 406.418 1.111 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)C1 1770727122 CCYLWYXIKPPBGH-QAPCUYQASA-N 411.503 1.786 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)C1 1770732495 YYASVHLMIRXOFV-DNVCBOLYSA-N 406.462 1.038 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)CCO1 1770751335 GPAZKBMZPZGFBV-INIZCTEOSA-N 423.502 1.636 30 10 HDEE C[C@@H](CC(=O)ON1C(=O)c2ccccc2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1772791577 AXYSTJPDZSALSD-NSHDSACASA-N 413.411 1.258 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)c2nccnc2N2CCOCC2)CC1 1850239319 SNRZHIZTDAOKSY-UHFFFAOYSA-N 407.478 1.226 30 10 HDEE N#Cc1cn(CC(=O)OCc2cc(Br)c3c(c2)CCO3)c(=O)nc1O 1851214610 CMNVNHYZAPDUFQ-UHFFFAOYSA-N 406.192 1.261 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2nnc3ccccc32)cc1 1851754443 PAIYCEXFNUYFHQ-LJQANCHMSA-N 421.457 1.626 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN4CC[C@H]3C4)ccc21 1853870727 PPQCRLXMGWHWID-WBVHZDCISA-N 417.531 1.783 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](C2CCN(CCN3CCOCC3=O)CC2)CC1=O 1853903481 PUUSAMJOGJYANA-HKUYNNGSSA-N 405.539 1.535 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854524958 XLROUBGVXXUQIW-INIZCTEOSA-N 405.476 1.265 30 10 HDEE CN(C)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)CC1 1854960148 HFFFGDUVTNKYCB-UHFFFAOYSA-N 404.492 1.121 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1855312135 MXQXKAJFHDCQQM-ROUUACIJSA-N 423.579 1.630 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C1 1855312625 VHGDPUVWYWZBJQ-CVEARBPZSA-N 402.520 1.404 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 1855421468 SRWRGNHQYBMYQN-HOTGVXAUSA-N 400.454 1.789 30 10 HDEE COCC(=O)N1C[C@@H](CN2CCC(COc3ncccc3C#N)CC2)CCC1=O 1855574121 LPBFXWKSFLCLQV-QGZVFWFLSA-N 400.479 1.456 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)CC2CC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1856232594 LCPZVXVKXNKDTL-CQSZACIVSA-N 418.448 1.279 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1 1856278889 XIZJOEOLWARBGC-MRXNPFEDSA-N 404.474 1.466 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1856288434 WRWNKRUJIWWWDC-QGZVFWFLSA-N 423.579 1.750 30 10 HDEE CC(C)(C)C(=O)CN1CC[C@@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)C1 1856560599 ZISNGPPTVOWXDZ-LJQANCHMSA-N 410.518 1.461 30 10 HDEE N#Cc1ccc(OCCN2CC(=O)N(C(=O)[C@@H]3COCCO3)c3ccccc32)cc1 1856750525 ZXABOQPIWYWBIR-FQEVSTJZSA-N 407.426 1.732 30 10 HDEE CCOCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC4(CC3)C[C@H]4C#N)ccc21 1857220781 XKGWPTACSNDBGK-HNNXBMFYSA-N 417.487 1.453 30 10 HDEE CN1CCC(C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)CC1 1859093217 KITRQJGWBHAMCN-UHFFFAOYSA-N 409.450 1.300 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(C)c(F)c1 1871260136 AMXWBJQGNWAGBK-UHFFFAOYSA-N 403.454 1.971 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871670462 VYDLZANZZIIEPE-UHFFFAOYSA-N 417.521 1.790 30 10 HDEE C=CCN=c1nc(Nc2ccc(OCCC)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871725210 YJGKFAJTVGWDQB-UHFFFAOYSA-N 413.526 1.538 30 10 HDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC[C@@](F)(C(N)=O)C2)CC1 1890804375 CYMOECSTIWFINS-IBGZPJMESA-N 417.466 1.917 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)N3CC(OCc4ccccc4)C3)s[nH]2)OC1(C)C 1979353550 KKJOMAYALXXSQI-UHFFFAOYSA-N 416.312 1.692 30 10 HDEE C[C@@H](C(=O)NCB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1985105271 OZVXSUYEONYSFU-ZDUSSCGKSA-N 411.308 1.202 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCN 2066550979 SQUQIXDFMLMYEL-ZDUSSCGKSA-N 417.512 1.335 30 10 HDEE N#CCCN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2113763910 ZDDFFTQOSRVPEZ-UHFFFAOYSA-N 418.519 1.314 30 10 HDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826985 CLQZVIIUPXZCMT-INIZCTEOSA-N 415.299 1.359 30 10 HDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826986 CLQZVIIUPXZCMT-MRXNPFEDSA-N 415.299 1.359 30 10 HDEE COC(=O)C1(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)CN(C(=O)OC(C)(C)C)C1 2247914192 HHYXIMQQQLTWFI-UHFFFAOYSA-N 424.303 1.892 30 10 HDEE Cc1cnc(C(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2247942772 AAVBYGFMJPVCEB-UHFFFAOYSA-N 409.295 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248433177 GWXDTRCMSMYZEB-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE Cn1ncc(Br)c1S(=O)(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2251304546 OXIYOBYCIXLDHO-UHFFFAOYSA-N 406.111 1.649 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713540 CBCZRDTZUVQRQU-HNNXBMFYSA-N 407.388 1.440 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282320720 MMGXKGKZJIONDO-VWLOTQADSA-N 420.387 1.114 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2282325015 YEXPHRLFCHJVHX-MRXNPFEDSA-N 423.340 1.820 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1[C@@H](C)O 2282413535 GGUBERQOUIEWSG-YPMHNXCESA-N 401.359 1.890 30 10 HDEE CCN[C@@H](C)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282491307 LDHHSOFTGONPJA-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@H](CO)C2)OC1(C)C 2282497417 PLTHQMJJAQBXQY-GXTWGEPZSA-N 401.359 1.628 30 10 HDEE CCC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282510640 BMNQAMLYIPNCMM-GFCCVEGCSA-N 402.347 1.121 30 10 HDEE CCC(=O)NCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282839505 FHZWJPTUUODNGE-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE COCC[C@@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848983 VDKBDCFRNGRZDF-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)sn1 2282849104 WOQVRKMJCFRNCQ-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CCN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)C1 2282868070 IDPQQVLKWDHKIU-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CCN(CCS(C)(=O)=O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883243 XQIYCMFELVFFQY-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](F)C(=O)O 2284409638 LVCAKEZCGCULJG-JOYOIKCWSA-N 407.294 1.384 30 10 HDEE CC=CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284417814 QABPHGPAPVVAKC-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300217508 PWJTUJCAYOCVHD-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE C#Cc1ccccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2317642951 HNPJOQKNBVBQGX-QGZVFWFLSA-N 402.428 1.789 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2COC[C@@H]2S(C)(=O)=O)OC1(C)C 2364908113 RJHDICDVBWVITF-OLZOCXBDSA-N 402.709 1.258 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365192173 ATFUFSSJROMJNT-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]21 2365208330 BUAHXQDEBBCJEY-QKPAOTATSA-N 400.541 1.555 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(OCC)CN(C(=O)OC(C)(C)C)C1 2365208515 CZERPJLTGDKWCS-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE CC1(C)OB([C@@]2(C)CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2368352463 XUAJMGUEQMCOAL-GUYCJALGSA-N 403.375 1.992 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 43585888 RLLNHCZGZAJEIK-UHFFFAOYSA-N 407.414 1.194 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(Br)c1 409505089 VGKCHHRABHJDHB-GXFFZTMASA-N 406.240 1.894 30 10 HDEE COCCN1CCC[C@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 443478680 VJWVFHPMTXWAMM-AWEZNQCLSA-N 402.314 1.710 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 447743483 HEZAQUWXKLOTCU-JOCHJYFZSA-N 404.426 1.951 30 10 HDEE CCOCc1nc([C@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 460672766 DWTFYBDAQKXOFR-XJKSGUPXSA-N 412.450 1.639 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2c(F)cccc2OC(F)F)CC1 466667478 AAMGVXXUQIXYSN-UHFFFAOYSA-N 400.401 1.557 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C[C@@H](C)O1 480619431 ZZZJRUIPCZKIQM-DAYGRLMNSA-N 412.943 1.876 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc(OCCC)cc3)C2=O)CC1 493507383 VBTFDXFNRNOKKD-LJQANCHMSA-N 414.506 1.027 30 10 HDEE COc1ccc(OCc2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C)cc1 508452668 FKEGHBGGXOYZOM-UHFFFAOYSA-N 405.462 1.996 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)Cn2c(O)nc3ccccc3c2=O)n1 511734724 OQUXEWXPYOGFAU-UHFFFAOYSA-N 404.361 1.937 30 10 HDEE Cc1ccc([N+](=O)[O-])c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 525669290 DTXNPYMMNQMGPD-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 545393529 JGNRXUUNYWCGBN-UHFFFAOYSA-N 418.379 1.963 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCN3CCN(c4ccccn4)CC3)CC2)n1 546196376 DJZZATLNDOQGLM-UHFFFAOYSA-N 405.506 1.209 30 10 HDEE COc1ccc(NC(=O)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 559261009 HLMDHXACVRRZIF-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 560721210 YMWFMSBWSHQENG-INIZCTEOSA-N 409.508 1.608 30 10 HDEE N#Cc1cnc(NC[C@H]2CCCCN2CCn2nc3c(cc2=O)CSCC3)cn1 585625029 HOKPRTWEIIXGPP-QGZVFWFLSA-N 411.535 1.661 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC1 603745715 CHEUOSQDUIBOIU-NRFANRHFSA-N 420.517 1.686 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609596292 NTJQMVCCXOJASC-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610807819 UENHKFBMZAPOIX-CQSZACIVSA-N 415.471 1.969 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105746 LEXBDHUZZRSENR-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCN1C1CC1 732665280 XZYQMDZYGOAYER-KRWDZBQOSA-N 414.487 1.570 30 10 HDEE C=C(COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OCC 734027722 QRBPLFYTNYVTRC-AWEZNQCLSA-N 400.453 1.355 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O 734292770 VOZMEDPJLXWTTN-INIZCTEOSA-N 401.419 1.864 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1C#N 747020030 GGXVYMBDBFXHNI-UHFFFAOYSA-N 404.444 1.537 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)/C=C\c2ccccc2C#N)cc1 747314826 XNDCGMJEHHCULQ-WDZFZDKYSA-N 423.454 1.784 30 10 HDEE C=CCN(C(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1nc(C(=O)OCC)cs1 749127435 FWAKWGYDFDVVNH-UHFFFAOYSA-N 422.488 1.336 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3cccc(F)c3C#N)cn2)CC1 751007613 BXZHCLYFHWFSTE-UHFFFAOYSA-N 403.483 1.713 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cccnc2-n2ccnc2)[C@H](C#N)C1 758348052 ZYHHJRRVURNXMK-HZPDHXFCSA-N 411.466 1.826 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758750501 FYQRINYAPJJOAD-HOTGVXAUSA-N 417.514 1.006 30 10 HDEE C#CCN(Cc1ccc(O[C@H](C)C(=O)N(C)C)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 768932622 YGTZZHXRQOFZFJ-AEFFLSMTSA-N 422.547 1.563 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 776530078 FCZIWROIWLOHFL-NQYYFHDYSA-N 406.504 1.443 30 10 HDEE CC1(C#N)CCN(CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 779878419 AEAGOKXGQRTDSD-NRFANRHFSA-N 411.462 1.993 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1 785004925 UGQYSUAHKPFCPJ-UHFFFAOYSA-N 408.462 1.558 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(=O)N1CCCCC1 787494608 RPWKSQDEHWVJIW-IBGZPJMESA-N 423.517 1.758 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)ccc1F 792318437 SRQBZWFIVXHTME-UHFFFAOYSA-N 401.419 1.900 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 804989013 UDVKBOBNXYHSIO-UHFFFAOYSA-N 412.455 1.909 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 805129796 SNZNVHJRJQPNBO-MAUKXSAKSA-N 414.528 1.179 30 10 HDEE C#CCN(CC#CC)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808452198 BKZZISVDMDLLDY-UHFFFAOYSA-N 417.531 1.120 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812192736 NTGPXNONLWYJHX-KRWDZBQOSA-N 417.535 1.702 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCOCC2)C1 819467564 DIDMRJLAKHSULW-MRXNPFEDSA-N 405.520 1.779 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(Br)c(OC)c1)[C@H]1CCS(=O)(=O)C1 918756295 PVOAOPZUCPLHLR-LBPRGKRZSA-N 416.293 1.729 30 10 HDEE C=CCN(C(=O)/C=C\c1cc2cnn(C(C)C)c2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 919989754 SMNXWLMPZLXRPQ-KJPDOMRESA-N 404.492 1.520 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC[C@@H]3CCCS3(=O)=O)CC2=O)cc1Cl 1133181083 WRMHLRRFDBBQBY-HIFRSBDPSA-N 409.895 1.648 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](CC(F)(F)F)C2)s1 1148485859 NURWDLBSOHZQNR-LLVKDONJSA-N 412.455 1.935 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1151827967 LBUXINBJJCMLLX-CQSZACIVSA-N 423.354 1.671 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(c3ncc(C)[nH]3)CCOCC2)ccc1F 1157180758 AOBVJBXEIBNYGE-UHFFFAOYSA-N 422.482 1.757 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1162121063 FPUWOGKZDJKREX-RBUKOAKNSA-N 408.433 1.865 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](CO)Cc2cccc(F)c21)c1cc[nH]n1 1164210984 UPMQKPDUSGWKAI-LBPRGKRZSA-N 404.398 1.030 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1 1167964137 BDYHESDDKFUREI-SFHVURJKSA-N 421.563 1.866 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CC(N)=O)n(Cc2ccccc2)c1C 1195232583 FNNIWIAYZXDWKQ-SFHVURJKSA-N 409.490 1.540 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1286394118 HAVLCKBBCPPEKN-AWEZNQCLSA-N 402.467 1.487 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396998 ZXBSJCDULFZMMO-IAGOWNOFSA-N 402.520 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C(C)C 1286462644 PWXXVINNIZTSQV-HXUWFJFHSA-N 403.483 1.499 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286645930 JMFFVIZECOCKGG-IAGOWNOFSA-N 409.556 1.753 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CCC(=O)N1 1286716258 CFIFELPTNBXNQY-CQSZACIVSA-N 417.539 1.447 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)N(C)C)C1 1286805550 QZWIPJRCNFZGAE-MRXNPFEDSA-N 413.478 1.586 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1286834329 DYJFEZVMFZXBMS-INIZCTEOSA-N 416.555 1.273 30 10 HDEE CC(C)CN1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1287732945 AIWNCGSTVXWJJR-QZTJIDSGSA-N 417.558 1.513 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1296664132 COCYHAZZWXRFSZ-UHFFFAOYSA-N 420.413 1.158 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300490690 BRKVKPKMGVIONM-DOTOQJQBSA-N 418.523 1.033 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1300547686 AZSWDOGAYGJEDX-GOSISDBHSA-N 423.498 1.236 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCNS(C)(=O)=O 1300572355 SYZIBNNYRKGALW-UHFFFAOYSA-N 403.483 1.486 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1300578190 IVTGQDLNVDVKAW-RTBURBONSA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1300621318 KWEZKQRLMNCDJB-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1300629804 FMCOJUUFIJIRJN-UHFFFAOYSA-N 405.499 1.503 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1301272363 GKUNAAGBVOBVTJ-SJORKVTESA-N 412.604 1.879 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1301305473 YZAVQCAENPNQDA-MRXNPFEDSA-N 418.567 1.860 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1301566547 PCGQNLHRKXNSMG-KRWDZBQOSA-N 413.526 1.945 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cccnn2)CC1 1301586249 REWHRBIGPMPKJF-UHFFFAOYSA-N 417.539 1.263 30 10 HDEE CC(=O)NCCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301936224 BDGHFMGJMSQGPS-RTBURBONSA-N 408.478 1.287 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1301952117 HEFBATGQZFVTFN-CVEARBPZSA-N 412.498 1.242 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1301957375 WCPHPJYUMSYQSK-KBPBESRZSA-N 418.479 1.884 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(N)=O)c2)C1 1302977949 DQMKOGVXIUAAJR-NRFANRHFSA-N 405.437 1.853 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1305318223 XNKFJNJFAMWSBH-UTKZUKDTSA-N 411.510 1.884 30 10 HDEE CSc1nc(C(C)C)nc(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589767 LNCOTAWKPZQQMX-UHFFFAOYSA-N 400.464 1.461 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)cc1 1305592369 NWJYKMJYBJDLHW-UHFFFAOYSA-N 411.439 1.765 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1311738235 ZDPBFMDBMIYZTH-QGZVFWFLSA-N 405.520 1.493 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 1312467650 AIUDIHALMUMODG-ZFWWWQNUSA-N 412.450 1.253 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@H](C)[C@H]4C)O3)CC2)c1C#N 1313309489 HTDRXEDQKQVWNC-RACNMONISA-N 416.526 1.404 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCc2ccc(C#N)cn2)C1=O 1344788524 UURUFQXRCPLWCF-NRFANRHFSA-N 408.414 1.781 30 10 HDEE COc1cc(C#N)ccc1NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1358494152 NLTDIBROBUYLOO-CYBMUJFWSA-N 402.451 1.973 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1358932483 MHHFBFJKMSXDCD-UHFFFAOYSA-N 415.567 1.305 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1358934745 LXWODCYINALEEO-UHFFFAOYSA-N 400.458 1.871 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCOCC1 1358944131 INYICKSRGKGYND-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358961925 HGFIRQUOIPOJPD-LSDHHAIUSA-N 405.524 1.046 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCOC 1358977545 ORWFUJGYRJLBQC-SFHVURJKSA-N 407.474 1.376 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1S(C)(=O)=O 1359279829 UNKRZDUULRADKU-MRXNPFEDSA-N 423.539 1.909 30 10 HDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1359289046 XKMAKHUNFHYMCK-GOSISDBHSA-N 411.554 1.529 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1359342624 BNYUTYAATOJPLG-JKSUJKDBSA-N 414.597 1.962 30 10 HDEE COc1ccc(NC(=O)c2cnn(CCC#N)c2C)c(N2CCN(C(C)=O)CC2)n1 1434943023 BWZRENLRSQWEGP-UHFFFAOYSA-N 411.466 1.430 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 1437059417 MCYRPMAHQSJUJN-IBGZPJMESA-N 403.548 1.709 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC(=O)N(CC(F)(F)F)C2)CC1 1449054192 YQGKQVDNCTWORV-UHFFFAOYSA-N 403.401 1.828 30 10 HDEE Cn1cc([C@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2ncon2)cn1 1450326224 AWKXRMXSSMNCFS-HNNXBMFYSA-N 417.223 1.722 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1450328253 NOHQCFHVDVBVDE-INIZCTEOSA-N 422.503 1.653 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)o1)S(C)(=O)=O 1467490262 WZWOEKPBMSVOKQ-UHFFFAOYSA-N 403.464 1.442 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 1473695975 AGUOKWLMEOIIHA-NRFANRHFSA-N 424.413 1.902 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2ccc(F)cc2C#N)CC1 1473726193 WAKVBEMECKQIPR-XDHOZWIPSA-N 418.494 1.799 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1507527343 UOBVWAVBKAQQQW-HNNXBMFYSA-N 410.503 1.754 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1507633635 HUCYZOKQQLQSRL-OAHLLOKOSA-N 402.476 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1C1OCCO1 1507639453 YKEITTFFGHEFOZ-UHFFFAOYSA-N 419.485 1.681 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1snnc1C 1507660882 GKJNABJKLVTBII-IBGZPJMESA-N 400.508 1.601 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1507798305 NUOOOMHBVFHIDM-ADHGMGHFSA-N 424.567 1.775 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2=O)CC1 1507888303 YXBOOKLTNCALGZ-UHFFFAOYSA-N 400.527 1.960 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)cc1 1508041303 LRTIINYOFVUYKP-SFHVURJKSA-N 412.494 1.875 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1508085222 GIEAJJWNNNKPIV-WMLDXEAASA-N 412.494 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2CCOC2)CC1 1508147370 JKCNLEYNMUBCLT-QZTJIDSGSA-N 424.567 1.983 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1509057564 ADHBQVPHLSSNOD-FTFAEBDGSA-N 414.510 1.791 30 10 HDEE Cc1c(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)cnn1CCC#N 1533611745 LAYLNEJQHOLQTR-UHFFFAOYSA-N 416.869 1.829 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)C2 1535298728 JFOWSUBMPZLMJJ-UHFFFAOYSA-N 405.462 1.672 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539220741 UZWOVSFEEPXYEE-QZTJIDSGSA-N 409.600 1.834 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C)c2)CC1 1539459323 DHDHBDOWQZUHAS-UHFFFAOYSA-N 406.534 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539481080 ICFACAFTCGHGII-CECAUBDESA-N 417.554 1.545 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539513293 MFOPPYUATBPASB-ZIAGYGMSSA-N 408.553 1.359 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)=O)CC1 1539612309 KNMBCYALHOVXNU-AEFFLSMTSA-N 418.542 1.502 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1540073627 SBFZPRBIUDOZHZ-CQSZACIVSA-N 411.553 1.753 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1540470742 CHKKBFFDXLWMFW-CYBMUJFWSA-N 408.867 1.603 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C1Cc2ccccc2C1 1540874112 VKKNBOYNBBBEJI-UHFFFAOYSA-N 408.506 1.306 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540915466 LULSKKISGUALBR-NEPJUHHUSA-N 405.446 1.916 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1541764031 UGBLVDYKFPXTJG-IEBWSBKVSA-N 424.505 1.869 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1544837698 KCYRDEORZCDJEM-LSDHHAIUSA-N 416.950 1.726 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1545928594 FBPKLLGMOPTJRZ-CVEARBPZSA-N 404.515 1.740 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1547891771 DMLHYGBTORSNCP-QRWLVFNGSA-N 401.467 1.916 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1(C)C 1555187238 OMFWRLSYGSMTSC-QGZVFWFLSA-N 422.493 1.767 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Cl)cn1 1555995316 DHDRPWLDKHFDQZ-OAHLLOKOSA-N 402.890 1.909 30 10 HDEE CCN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1556216127 KZPKBQOCCQFITI-ZGOJQLDESA-N 404.511 1.854 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1F)[C@@H](C)O 1557344404 KZXQQFIZYVDSJW-JCGVRSQUSA-N 405.451 1.602 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)c1 1557553553 PRTHHHXDYZQMLO-UHFFFAOYSA-N 403.460 1.841 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4nccn4C)CC3)n[nH]2)c1C 1558181695 VSNYDCZVCMRHFZ-UHFFFAOYSA-N 409.494 1.933 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCNC3=S)C2)C1 1558890403 PKVDPCXBCRKRDJ-SHYRYGCCSA-N 407.540 1.080 30 10 HDEE C=CCn1cc(CNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)nn1 1558998046 NGMICBCKCOTONP-UHFFFAOYSA-N 404.434 1.548 30 10 HDEE C#CC[C@H](CO)NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1563487625 JETFVOPCKPZICH-QGZVFWFLSA-N 412.456 1.901 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 1565642641 MKTXFQKZSDQASN-ZWKOTPCHSA-N 400.523 1.422 30 10 HDEE C[C@@H]1CCS(=O)(=O)CCN1C(=O)COc1ccc(C#N)c(Br)c1 1567558935 BFTIYFRXPWPBGV-LLVKDONJSA-N 401.282 1.735 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2Cc3cccc(C#N)c3C2)C1 1583266781 AOZQYAOENSSLBT-KRWDZBQOSA-N 413.503 1.841 30 10 HDEE COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(CCC#N)CC1 1587542561 VHMJLZYCQMEYMR-UHFFFAOYSA-N 406.464 1.921 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588049537 IBMCHYNQEIUQOA-HOTGVXAUSA-N 401.492 1.245 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1588085104 ZJZJAAFJCSDGJH-QZTJIDSGSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccoc1 1588124983 XVMRMTLVKOJLHX-UHFFFAOYSA-N 408.487 1.952 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(=O)N(C)C)n1 1588698060 XZRISQMQGGSGFA-UHFFFAOYSA-N 401.515 1.147 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588741633 GHGQKSDSYPDYOS-MSOLQXFVSA-N 424.540 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1588811155 BEBORSDAURDOJS-IBGZPJMESA-N 409.534 1.813 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1588877066 UDGGBUZQFSVIBF-MUGJNUQGSA-N 417.554 1.572 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C 1589546362 PUIOUJQEQQLANV-YVSFHVDLSA-N 410.540 1.387 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)CNC(=O)C2 1594824559 LEVVFHVZNSIKHT-UHFFFAOYSA-N 416.526 1.100 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OCC)c1 1595345084 AHVFARJZTTWMKE-WMZOPIPTSA-N 407.488 1.714 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1595476098 HVHUHSVIGOXZBM-GJZGRUSLSA-N 424.571 1.207 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1595530270 ZCQHRUNWSKOMOS-MRXNPFEDSA-N 413.526 1.564 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(C)CCCOC 1614025581 WSIMYILYZOXLLV-UHFFFAOYSA-N 412.542 1.402 30 10 HDEE CCn1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1615731023 CSBIETDHNNGTNS-NRFANRHFSA-N 407.453 1.936 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCO1 1617895776 SKJDPRPKBCPZIK-OAHLLOKOSA-N 401.282 1.505 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1620149340 ADLXAWJQKPIDPI-KRWDZBQOSA-N 404.471 1.283 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3Cc4ccccc4NC(=O)[C@H]3C)CC2)o1 1620386812 PCFXEDHSUFOPTJ-CQSZACIVSA-N 408.462 1.346 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)/C=C/CN3CCOCC3)c(C#N)c2N)cc1 1621094073 PROTVHYMOUEUCI-HWKANZROSA-N 408.506 1.572 30 10 HDEE Cn1nc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C1CC1 1626716588 ZPAPBJDCLKWCAX-KRWDZBQOSA-N 406.446 1.691 30 10 HDEE CCCS(=O)(=O)Nc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(F)c1 1627809013 XSRFTYDMNKYDSY-ZCXUNETKSA-N 424.454 1.832 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)C1=O 1628180220 RYBBKFCAWFYLAT-ZDUSSCGKSA-N 413.352 1.222 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1629500185 HOGHUCPIXNTNPD-UHFFFAOYSA-N 408.506 1.654 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)cc2OC(C)C)c1 1630433128 LDRMCQNZRBVBET-UHFFFAOYSA-N 415.471 1.737 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 1630966931 WPEZHJCWSDXXFQ-KRWDZBQOSA-N 406.236 1.312 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1631073156 WEMURHDYFREIEK-SFHVURJKSA-N 402.491 1.913 30 10 HDEE Cc1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)ncc1C(N)=O 1632252690 BNALRHRNQXNXFV-UHFFFAOYSA-N 415.457 1.713 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OCC 1635606324 GHQFRQKPHXGVJU-LBPRGKRZSA-N 413.814 1.524 30 10 HDEE COCCc1noc(CN(C)C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1636314931 DWISQNOWJAPFOM-UHFFFAOYSA-N 406.483 1.867 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1 1636756173 ODYPEHGNZFSLAG-ZREAOVPFSA-N 409.490 1.826 30 10 HDEE N#Cc1cc([N+](=O)[O-])cnc1NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1642826861 AGDVGLXINXNXMJ-UHFFFAOYSA-N 401.448 1.704 30 10 HDEE C#CCC1(O)CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 1643516247 DHXDZZVSDAJETH-UHFFFAOYSA-N 406.078 1.180 30 10 HDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)CCCOc2ccc(C#N)cc2OC)n1 1645206840 WQAHHIQJLNIRRS-LBPRGKRZSA-N 401.423 1.898 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)c(=O)nc1O 1646147550 LEVXPEPFUDXQSX-HNNXBMFYSA-N 410.478 1.444 30 10 HDEE C#CCC1(N[C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1648399375 FRRJDBYLAHGDRZ-QGZVFWFLSA-N 419.547 1.879 30 10 HDEE CCOC(=O)[C@@H](CSC)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1649374624 ORCUIRJNUHBQSJ-SWLSCSKDSA-N 409.895 1.975 30 10 HDEE CCN(CCC#N)C(=O)CN[C@H](CO)c1ccccc1I 1655043168 SRCAYYZDHNTOCZ-CQSZACIVSA-N 401.248 1.676 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1655819422 YHJUVVWOZINKGY-KRWDZBQOSA-N 411.506 1.973 30 10 HDEE N#CCc1ccc(OCc2cccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c2)cc1 1666028183 DTEOSTUKNMDTQS-RTBURBONSA-N 415.471 1.611 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 1671140767 VGJDEOGMHRTYGT-UHFFFAOYSA-N 403.254 1.896 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1(=O)=O 1680025273 YCBDEUZSAWXWKZ-FRFSOERESA-N 404.492 1.319 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 1680667170 OCNAIRQFOBXXBN-UHFFFAOYSA-N 418.563 1.509 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(C2(C)OCCO2)cc1 1687281295 ADKZFWRNJGCNPW-MRXNPFEDSA-N 422.489 1.988 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1689875662 YZRSYKBNKHFHLX-CABCVRRESA-N 420.543 1.162 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2CC)CC1 1690146005 CTCZXHODOTWXJM-RTBURBONSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690154440 OERSUNQVNRODDE-QGZVFWFLSA-N 420.583 1.084 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)N2CCOCC2)CC1 1690364647 VCEMHJMJAXAUGY-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690375515 MXYGFWJTZBHMCA-GVDBMIGSSA-N 410.540 1.388 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690496223 MUXPJZYFNOCGIS-RXVVDRJESA-N 421.542 1.626 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690509164 YMMAPXZNHCDAPZ-QGZVFWFLSA-N 415.494 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690715074 CBSHVIZDLAXESV-UHFFFAOYSA-N 409.537 1.211 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)c1 1697498109 ABWZLAFOZRFFKQ-NVXWUHKLSA-N 412.494 1.959 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705539975 JDQDPMRMTUOVGZ-QGZVFWFLSA-N 414.510 1.461 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705566623 OVKNJYDLGYJQOH-JKSUJKDBSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)C 1705583232 SQHPMBFLONKPEP-QGZVFWFLSA-N 407.540 1.120 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(N)=O)cc1 1705585067 JPPYITYHORVURQ-UHFFFAOYSA-N 416.489 1.751 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705662677 HFKCUASHUMLOEM-LJQANCHMSA-N 416.576 1.717 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N1CCOCC1 1705713767 SEHWQISOOMCPMD-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1705740734 VPPBQNSAMYVOOG-UZLBHIALSA-N 407.515 1.190 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1705768874 CEQMVUAMSHLION-DLBZAZTESA-N 410.540 1.532 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705935622 XHRDTZGGNSKTAB-MRXNPFEDSA-N 423.583 1.669 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 1706579261 RRPFFYSTQXZKSL-MAUKXSAKSA-N 421.505 1.571 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCO 1706747425 MLAXTBFAHIGAJX-CRAIPNDOSA-N 401.467 1.928 30 10 HDEE CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1709898724 AONOLNXIMRJCBZ-WMLDXEAASA-N 416.457 1.764 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@H]1CCOC1 1711026697 UIPAJZHEAWGVSA-AWEZNQCLSA-N 408.384 1.720 30 10 HDEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1712172318 YBTSIUAXUPNLEJ-ZIAGYGMSSA-N 413.457 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722304416 ZJQSXKSMFPAKJB-OAHLLOKOSA-N 402.499 1.527 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[S@](=O)CC 1722357881 SGBIKMCVRGSPCT-COEMCCDRSA-N 409.556 1.887 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722368617 TZYJYYPWRQGXLP-UWVAXJGDSA-N 410.584 1.900 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2nsnc2c1 1722418813 DPPMNBJDRKYCID-UHFFFAOYSA-N 413.507 1.555 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1722456294 WFSGFGXNPXTHBP-ZIAGYGMSSA-N 410.569 1.303 30 10 HDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722487388 PECOPWJHXYGEPD-CYBMUJFWSA-N 423.315 1.612 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)C)CC1 1722502968 BRUSBTBMBGDAKC-AOIWGVFYSA-N 402.543 1.741 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722523235 JDVRKRHDNUUGCJ-DLBZAZTESA-N 402.543 1.537 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1722531578 QHBYKLRVBWCZKU-QGZVFWFLSA-N 403.458 1.628 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722543330 OTCDGPVGANKQRA-KGLIPLIRSA-N 406.936 1.768 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCC(CO)CC1 1722705234 CIEMACYUMHLQSW-UHFFFAOYSA-N 413.522 1.930 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1723770612 BJSPKEWLQPYCLQ-INIZCTEOSA-N 419.493 1.753 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)cc1C 1724390166 AMKXWSHEJLWWHB-AEFFLSMTSA-N 411.510 1.826 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OCC)CCOC2)C1 1728940213 DZOYNIWWYVFADS-GFBXMDILSA-N 407.515 1.599 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 1730850831 JYTARTWKFOEXSB-VQIMIIECSA-N 407.515 1.674 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1740553194 ZRGRPCNUILWJMA-GXTWGEPZSA-N 420.315 1.736 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740571489 QMBYHHGFJZZHIM-KRWDZBQOSA-N 404.540 1.886 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCOC)CC1 1740696815 HDCYZEPGUHFHPU-UHFFFAOYSA-N 401.486 1.426 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1740719960 NLGNIZGBOAMWTG-MRXNPFEDSA-N 401.540 1.173 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740775731 DTHOAQIHNZRPGN-IBGZPJMESA-N 422.555 1.092 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC)C1)c1ccccc1 1740800107 HCXRFJFJCYPUHP-IBGZPJMESA-N 411.506 1.966 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740954926 UAIQINHVUNQUCP-OAQYLSRUSA-N 408.462 1.695 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCOCC1 1740994044 HQIBGMNXKUNIRV-UHFFFAOYSA-N 415.519 1.719 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1741004876 OVMGJWKAXRXYFU-DNVCBOLYSA-N 409.556 1.516 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1741804103 XCYOBTOEXMCMBT-RDBSUJKOSA-N 405.503 1.881 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(O)CCC1 1743232777 GHRZGCMNAAIFEU-HNNXBMFYSA-N 410.526 1.867 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1743254568 LMGMEQFQUMWWDM-CPUCHLNUSA-N 407.478 1.897 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1748712866 LKLZLEXEHDRDKD-INIZCTEOSA-N 417.473 1.724 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748811101 BQPDAVAKKMNJPJ-GOSISDBHSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748846637 JBDGDRCPCBZXNI-UYAOXDASSA-N 420.517 1.523 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1749317271 OXEHJUVXMYUFHR-SQNIBIBYSA-N 424.567 1.983 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)CC1 1749329967 WVLGHHMCENXXFQ-AWEZNQCLSA-N 412.560 1.063 30 10 HDEE COCC1(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CCC1 1749399327 DTKYCQOSSKQKAP-HZPDHXFCSA-N 409.556 1.983 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1749712803 LTTLYVBOVMQFOV-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)C(=O)C1 1749723855 BVULVCMUFMSIOO-UHFFFAOYSA-N 419.507 1.258 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1749755869 NEHJKCJXGHLOEP-OAHLLOKOSA-N 422.580 1.568 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1751276586 CNGCKTLXOCQANC-DNVCBOLYSA-N 406.556 1.957 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1751300234 KOHCIHWYTVPVBL-OXQOHEQNSA-N 406.506 1.725 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2CCC(O)CC2)CC1 1759988791 XNKCMUXQYJOFIK-JQQJYQBTSA-N 400.519 1.414 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1760120341 IPUBHBDAOWHSPG-INIZCTEOSA-N 419.551 1.663 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1 1760289315 NUUUARAYNSCIOS-ABSDTBQOSA-N 422.599 1.612 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760375171 GPXQDGZUCJSXTN-HNNXBMFYSA-N 405.890 1.600 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1760495282 JTIVNTJKDBUENV-AWEZNQCLSA-N 419.498 1.835 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760522939 HGXMKARHUJWWOM-KRWDZBQOSA-N 424.513 1.031 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CCOC2)C1 1760557008 WVZSHTHGXACZTD-HXUWFJFHSA-N 417.535 1.482 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)[C@H](C)C1 1760610246 WNDIZNVHWFIGPA-OXQOHEQNSA-N 424.505 1.679 30 10 HDEE CCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762964389 VMDSJQUPVDTFDF-VXPUYCOJSA-N 424.509 1.484 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1768822761 DRWDMWOJANDEAT-GOSISDBHSA-N 424.505 1.931 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1769996225 VWPUIPVBSQJTBU-UDUGOUHASA-N 413.519 1.745 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC(C)CC1 1770051956 RALDTMCBNHLVCA-ROUUACIJSA-N 406.531 1.463 30 10 HDEE COC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)OC 1770755762 GUQFSXQTHMOUQW-UGSOOPFHSA-N 403.418 1.029 30 10 HDEE Cn1c(=O)ccn(C2CCN(CC(C)(C)C(=O)Nc3ccc(CC#N)cc3)CC2)c1=O 1851215352 QCXQZHSVHCVEAC-UHFFFAOYSA-N 423.517 1.915 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)n1 1851348973 QCIJVNFLFQKATR-LJQANCHMSA-N 406.442 1.695 30 10 HDEE Cc1ccccc1-n1nncc1CN1CCN(C(=O)c2ccc(CC#N)cn2)CC1 1852047948 IIJDVLWZGJSBIA-UHFFFAOYSA-N 401.474 1.995 30 10 HDEE C[C@H](C(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F)n1nc(C2CC2)ccc1=O 1852079535 XXVDJBTXAMBLQA-SNVBAGLBSA-N 420.413 1.942 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4cccc(F)c4)C3)CO2)nc1 1852163033 FZWOWEQMUZWMKF-FUHWJXTLSA-N 410.405 1.804 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2ccccc2)S1(=O)=O 1852247265 NOVNKJIUGZEJCE-UHFFFAOYSA-N 401.444 1.535 30 10 HDEE N#Cc1cccc2c1CC[C@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1852270851 IRHYKHQEJCFILW-HXUWFJFHSA-N 411.483 1.996 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2c(=O)sc3ccccc32)CC1 1852514766 ZBKPQNXCLVEVCI-UHFFFAOYSA-N 423.498 1.695 30 10 HDEE N#Cc1cc(COC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)ccc1F 1852692051 QNZJAGYDCPNGDS-GFCCVEGCSA-N 423.388 1.849 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)NC1=O 1852727346 VONRNXXKCJNMST-SECBINFHSA-N 406.801 1.153 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)N3C[C@H](C#N)CC3=O)CC2=O)CC1 1853116302 CCRNZPZQNFTUGL-UONOGXRCSA-N 404.467 1.133 30 10 HDEE CO[C@@H](C)C(=NOCC(=O)N1CCCCC1)NS(=O)(=O)c1ccc(C)cc1C 1853495490 OAAPTVZLCZRXIK-INIZCTEOSA-N 411.524 1.959 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2=O)ccn1 1853828733 NHAGCCWPDWYPSW-UHFFFAOYSA-N 418.862 1.421 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)c1 1854316089 UAVJDTHZEGVNTR-MOPGFXCFSA-N 410.474 1.013 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)[C@@H]1C 1854701105 YPSOXHDKYYYLGS-HNNXBMFYSA-N 403.454 1.298 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)n1 1854966236 CCHWUXPDYYWNDU-ZWKOTPCHSA-N 413.522 1.920 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855065436 RBETYBYMCQPHAB-ROUUACIJSA-N 423.579 1.464 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)cc1 1855198399 GQVLWQASYVTRPZ-VQTJNVASSA-N 406.490 1.622 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855597039 VAFMYKDYSOYNCX-HOTGVXAUSA-N 402.520 1.382 30 10 HDEE C=CCCN1C[C@H](C)C(=O)N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1856034110 KRBQEURMSYHBNP-KBXCAEBGSA-N 419.503 1.181 30 10 HDEE N#CCCN1CCN(C(=O)C2CN(c3ncc(F)cn3)C2)C(=O)C12CCCCC2 1856628551 PMINVYPOGGFYKY-UHFFFAOYSA-N 400.458 1.339 30 10 HDEE COC1(C(F)(F)F)CCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856971924 IAJVKPDBCWFCQM-ZDUSSCGKSA-N 410.396 1.985 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCS3)C2)C1 1857477561 NEKHZIQXUILFEF-RDTXWAMCSA-N 400.504 1.677 30 10 HDEE CC(C)(C)c1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1 1857492221 KYCOWPNWQBADCT-LJQANCHMSA-N 410.518 1.826 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N(CCO)[C@H](C#N)c3ccc(F)cc3)ccc21 1857959863 AGNIJKQIBLCHIB-HXUWFJFHSA-N 417.462 1.983 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 1858421689 BNJAQLQUJSTOIW-HNNXBMFYSA-N 413.455 1.979 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(CCc3cnc[nH]3)CC2=O)nc1C(F)(F)F 1872725531 NIZCUAGWICTENB-UHFFFAOYSA-N 415.397 1.816 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CC(C)(C)NC(C)(C)C3)C2)CC1 1872924913 LEBRUBQXYZRBCI-QGZVFWFLSA-N 418.582 1.685 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCCCCO)ncnc21 1875232400 HBNVZEOAOYVHOP-UHFFFAOYSA-N 405.499 1.009 30 10 HDEE N#CCC(=O)Nc1c(I)ncnc1I 1884891814 NQOMQNIUALJOCI-UHFFFAOYSA-N 413.944 1.538 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CCc3cnn(C)c3)CC2)CC1 1889999985 UQUZQGFSVHSYQT-UHFFFAOYSA-N 415.582 1.390 30 10 HDEE CN(C)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1890514633 WEBOFYWFVNVNCQ-OAHLLOKOSA-N 418.346 1.828 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1892063284 XUBLTYCPUPGEDW-UHFFFAOYSA-N 420.425 1.291 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CCC#N 1957294951 XYSWFAHWCCWGCZ-UHFFFAOYSA-N 420.532 1.581 30 10 HDEE C=C(Br)CN(C)C(=O)c1nc(S(C)(=O)=O)ncc1Br 2092435538 JBZDVXMNQSCXGF-UHFFFAOYSA-N 413.091 1.623 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)ON1C(=O)c2ccccc2C1=O 2241509701 BMJKBSXPHGPCCQ-UHFFFAOYSA-N 422.434 1.689 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386449 AKXBVCJKFGQKHK-UHFFFAOYSA-N 410.280 1.285 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2247865540 WTCVVQSCODTTCT-FOLVSLTJSA-N 417.315 1.909 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248413223 UDPIGHCAAIPGRB-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2249541343 HTWWNKGGQQXKIU-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C(=O)O 2251460250 KHHLRRXRVADFJH-AWEZNQCLSA-N 424.303 1.886 30 10 HDEE N#Cc1sccc1CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2252599814 XAOVADIODCAQLO-CQSZACIVSA-N 408.457 1.914 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3nc(O)n[nH]3)cc2Cl)OC1(C)C 2267355965 JNIQCEJCTXAZJV-UHFFFAOYSA-N 406.682 1.325 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@]3(C)CO)cc2Cl)OC1(C)C 2267357923 CGBNFHPLPKMIJB-HNNXBMFYSA-N 407.750 1.846 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CO)C(F)(F)F)OC1(C)C 2267367087 OPQYFJDCEYSMIA-VIFPVBQESA-N 401.237 1.249 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CSC1 2267467507 OMTPAPXBTVJOBI-JTQLQIEISA-N 404.388 1.613 30 10 HDEE CN(C[C@H]1CCN1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704574 PUPXNYNBTPEJHP-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3cc[nH]n3)cc2Cl)OC1(C)C 2282303904 CHUIERINGAPGFL-UHFFFAOYSA-N 417.749 1.945 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@H](O)C3)cc2Cl)OC1(C)C 2282311489 JDDLWTBHTMOGTQ-SNVBAGLBSA-N 423.749 1.083 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314548 AXTPRUMGRVMSMN-CYBMUJFWSA-N 400.375 1.586 30 10 HDEE Cn1cc(Cl)c(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n1 2282329940 SUQPLRJGEFCVMY-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1CO 2282331650 QENJKDQCPXJFOM-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2C[C@@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282494870 DPDRUKUQRKGOGM-OLZOCXBDSA-N 400.375 1.537 30 10 HDEE CCN(C)C1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282497401 PDLCRJMKXNEBAT-UHFFFAOYSA-N 400.375 1.513 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCNC1 2282508849 BWJIDEXOUZTCEP-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509270 IQOIQINOXUJLTH-TZMCWYRMSA-N 400.375 1.417 30 10 HDEE COc1cc(C(=O)N2CCC[C@@H]2C2OCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2282560021 CHSIBOMUHQLBDB-MRXNPFEDSA-N 403.284 1.972 30 10 HDEE CN(C)C[C@@](C)(O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616265 ZAVNMFRWXXYFPB-KRWDZBQOSA-N 402.753 1.743 30 10 HDEE COC(=O)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282833844 LIEOZGWYUHKHOP-UHFFFAOYSA-N 421.733 1.494 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC(C)(C)CO)sc1B1OC(C)(C)C(C)(C)O1 2282842511 ZDPPSBXPUBZABW-UHFFFAOYSA-N 403.375 1.995 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1 2282845418 SJRYVAOOZZYZMX-BETUJISGSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC(CF)(CF)C(=O)O)OC1(C)C 2295324024 KNUYPWVHSAOQAX-UHFFFAOYSA-N 411.257 1.088 30 10 HDEE COc1[nH]c(=NC[C@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2301562644 MXJAKFQHXGRGLW-ZDUSSCGKSA-N 423.319 1.109 30 10 HDEE C#C[C@H]1N(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1(C)C 2314549291 VNVYAGTWWKXRPA-HZPDHXFCSA-N 408.476 1.128 30 10 HDEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362571695 QJSHLVJAXWJXAN-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2363642871 FSSGXQCNPWFUIC-QTEQDKRBSA-N 416.518 1.983 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CC)CCNC(=O)OC(C)(C)C 2365210635 ZIDSQBUQRLWNPE-DNVCBOLYSA-N 404.573 1.847 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1(C)C 2367814031 ACGDNMQFXCCKSV-PJIJBLCYSA-N 400.541 1.339 30 10 HDEE C[C@@H]1CC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CN1C(=O)OC(C)(C)C 2367820896 SDCWLIFPBUZCME-ZRGWGRIASA-N 400.541 1.435 30 10 HDEE N#C[C@H]1CN([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 2372874835 CQBIPMKMWSLVLZ-SIKLNZKXSA-N 412.490 1.915 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H](C)C(=O)NC1(C#N)CCCCC1)C2=O 10055528 DCRLNTCKOQSGPC-FAGJFJLWSA-N 418.494 1.761 30 10 HDEE COc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc(OC)c1 59310869 QSUHFNXASPQSEJ-CNHKJKLMSA-N 416.467 1.732 30 10 HDEE Cc1ccc(CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914463 ZXIMEFCFQCEVCR-KEBDBYFISA-N 400.512 1.844 30 10 HDEE N#CCC(=O)NCc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219699499 VPYRYAPKLHSWFF-UHFFFAOYSA-N 421.369 1.359 30 10 HDEE N#CCC1(CNC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC1 430421160 GKCVNJXWHYOFJD-QGZVFWFLSA-N 400.479 1.854 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 434463904 VSBLJODVYAFHOC-GDBMZVCRSA-N 423.560 1.786 30 10 HDEE COc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1NS(C)(=O)=O 443329206 ILKUUKPKPZYPOU-UHFFFAOYSA-N 408.480 1.451 30 10 HDEE C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 472945491 AIGIOBQOBXOKPA-RISCZKNCSA-N 406.368 1.936 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)cc1S(=O)(=O)NCC#N 473451316 DZOFXUNGVAQHFC-HNNXBMFYSA-N 424.486 1.869 30 10 HDEE CCOC(=O)c1c(NC(=O)COc2cccnc2C#N)sc(C(=O)NC)c1C 477066864 NVLWTAAOFSFYMH-UHFFFAOYSA-N 402.432 1.877 30 10 HDEE CCOC(=O)C1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 481021640 VTXOTSAQGNIJEF-ZDUSSCGKSA-N 409.464 1.294 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)cc1 483589490 GFCFODTXOJYOEJ-UHFFFAOYSA-N 420.491 1.898 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 487279753 PTVROYFJGLXBOP-AWEZNQCLSA-N 416.507 1.237 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 504971017 MGUNTYFFRWHSGJ-UHFFFAOYSA-N 408.480 1.677 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 514307059 QPVVKVSSJWKLSQ-INIZCTEOSA-N 415.490 1.256 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccc4c(c3)OCO4)n2)CC1 523226136 NSZMTRKZSCFVRS-UHFFFAOYSA-N 414.487 1.599 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 531281377 DMLZBPWNLFXBBI-QGZVFWFLSA-N 419.434 1.662 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(N)c3c4c(sc3n2)C[C@@H](C)CC4)CC1 540067550 HEXPJDMCDOQASA-AWEZNQCLSA-N 414.579 1.818 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CCC 542727826 JSLSLHQIBPSEOJ-UHFFFAOYSA-N 414.487 1.566 30 10 HDEE CN1C(=O)CN(CC#CCN2CC(=O)N(C)[C@@H]2c2ccccc2)[C@@H]1c1ccccc1 551450225 FFQYGLFUJJKYPH-PSWAGMNNSA-N 402.498 1.935 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553540012 BONVQZPRXZGDKC-KCQAQPDRSA-N 404.442 1.096 30 10 HDEE N#Cc1ccc(N2CCO[C@@]3(CCCOC3)C2)nc1N1CCO[C@@]2(CCCOC2)C1 557700801 XHWZOQJRSONNRU-VXKWHMMOSA-N 414.506 1.725 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 562028947 AWBJPBJNBZMQNN-KRWDZBQOSA-N 403.508 1.360 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)CCS1(=O)=O 582559269 MDVCCNLGXRNHPX-MRXNPFEDSA-N 415.519 1.867 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 610371553 TZKFFXNTOADZMT-PZJWPPBQSA-N 401.507 1.596 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(OCc2ccccn2)cc1 732447604 DYBNNIBCUDETRK-MRCUWXFGSA-N 421.457 1.986 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cccn(C)c1=O 733508960 PGCCFEJWWFYFBM-UHFFFAOYSA-N 400.435 1.507 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 734293435 VOCXFZQCVBTRGQ-DJJJIMSYSA-N 418.475 1.172 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)ccc1OC 740199435 PGAZCEMWIHXROJ-KRWDZBQOSA-N 418.427 1.546 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(C#N)cc1 740211526 RDNGSXZIWMVBHT-QGZVFWFLSA-N 406.391 1.433 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C 745050499 WCJUOYIOOIZOQP-GFCCVEGCSA-N 418.475 1.893 30 10 HDEE CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 746036809 GEDZWJOHKQXZGI-KRWDZBQOSA-N 412.490 1.708 30 10 HDEE COc1ccc(COC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 747020700 LIRRYMUHSUIVQA-HKUYNNGSSA-N 412.417 1.954 30 10 HDEE N#Cc1ccc(NC(=O)COC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749288005 AYZQZUQQXCZFJO-OAHLLOKOSA-N 419.484 1.955 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1 750416734 OZVSCNUERFDQFV-AWEZNQCLSA-N 419.409 1.836 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758641750 CAJVNKZHULUVRD-DZGCQCFKSA-N 408.480 1.084 30 10 HDEE CC(C)N1C(=O)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1(C)C 758757505 GLJDYCHJMYHRFJ-HUUCEWRRSA-N 407.515 1.786 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NS(=O)(=O)CC(C)(C)C#N 778335269 MOSOPGFPUCQPKQ-QGZVFWFLSA-N 405.520 1.982 30 10 HDEE C=C[C@H]1CCCCN1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 787201130 WBKKMSDMQQENIQ-NSHDSACASA-N 408.304 1.661 30 10 HDEE COC(=O)NCCc1ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)s1 788030442 OKLBFIPLEAUKAG-UHFFFAOYSA-N 409.493 1.304 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1)c1cc[nH]n1 789963071 HAYFBEFFXHUURY-RHSMWYFYSA-N 400.435 1.682 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1CN(C(=O)OC(C)(C)C)C1 790018415 FWXLQZJZNAMBHN-UHFFFAOYSA-N 409.508 1.956 30 10 HDEE Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 791029270 AJEGDSALNODZOR-XMHGGMMESA-N 400.446 1.595 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)cc2)C[C@@H](C)O1 798746040 YAEAOVJZHWKUHS-ZNMIVQPWSA-N 412.450 1.506 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 802668346 SUBYMXWAZNBXRC-CYBMUJFWSA-N 419.890 1.608 30 10 HDEE C#CC[C@]1(C(=O)NCc2ncccc2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809800271 MUOSXAHQVYTXSK-HXUWFJFHSA-N 421.519 1.894 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 811430011 MTMGQTJCVPTDLH-CQSZACIVSA-N 405.386 1.555 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cnn(C)c2C)CCCN1C(=O)OC(C)(C)C 813952331 GBMFBGRTFZHPOD-SFHVURJKSA-N 412.512 1.879 30 10 HDEE CCc1nnc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)o1 819462871 BXSWRLAQDPKASU-ZDUSSCGKSA-N 405.480 1.402 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H](C)CN2CCCC2=O)C1=O 917700035 BXQSKHXTWLUKON-CJNGLKHVSA-N 413.503 1.637 30 10 HDEE COC(=O)[C@]1(F)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1149485482 ZVNDKMBWLPAODU-VQTKLETLSA-N 409.458 1.887 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1152646297 XBNQVUWTSMEZEI-QGZVFWFLSA-N 419.453 1.725 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)cc2C1=O 1177090793 BYAMNYSQLRQBAL-IRXDYDNUSA-N 400.431 1.461 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cnc(-c3c(F)cccc3F)s2)CC1 1183511442 OPEQCGRVGWMUAW-UHFFFAOYSA-N 412.487 1.674 30 10 HDEE COc1ccc(Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(Br)c1OC 1189976855 AVZIJQJZFMKXAT-UHFFFAOYSA-N 424.251 1.010 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CCOC1 1196275861 QRDYLKPKCZGLCV-SIKLNZKXSA-N 412.490 1.003 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1 1197603927 YBGAIPFMNRGXJG-PLACYPQZSA-N 415.534 1.624 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 1215521772 XJAPVBAHYJDZOH-AWEZNQCLSA-N 406.458 1.584 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1286285007 HXWSXYLRUNBRCT-CQSZACIVSA-N 408.553 1.110 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286384863 JYSFKUJVULONCH-RDJZCZTQSA-N 422.507 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1COCCO1 1286423516 VKDRBPMTTMUQJC-GHTZIAJQSA-N 402.495 1.197 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1286453108 VZBMILHKMNUJFV-HZPDHXFCSA-N 411.572 1.548 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2oc(CCC)nc2C)CC1 1286471086 HTTSTZVDLHLLHA-UHFFFAOYSA-N 413.526 1.469 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286507861 CROMAAPQXSXMOV-FUHWJXTLSA-N 416.551 1.943 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286508744 VEXVQURSHXVYPN-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286785114 FHCXDIUGPVFPPL-BXTJHSDWSA-N 400.483 1.348 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286794136 XUSGDKFVMWXDTG-QGZVFWFLSA-N 411.510 1.456 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286803577 FAJRRSPXEBIRKC-LZICOFPGSA-N 423.477 1.581 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1287013243 ZERJVQCJFZSGIR-NVXWUHKLSA-N 414.485 1.788 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)C1 1296958424 DLPHXKBVMLTBRS-UHFFFAOYSA-N 424.505 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCOCCS(C)(=O)=O 1300315018 OIPORIUGBOVBCE-ZDUSSCGKSA-N 411.553 1.153 30 10 HDEE C#CCCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1300375676 ACYFEOYNHVMICB-PGRDOPGGSA-N 415.538 1.935 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1300380996 LLIVDCKWHTVBLO-UHFFFAOYSA-N 422.493 1.333 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)coc1C 1300557221 RAEVSUQCJVPNGM-HNNXBMFYSA-N 403.508 1.609 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1300603354 PPMSIRGWRAANHT-LJQANCHMSA-N 410.540 1.355 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1300630536 DJEHQFUJYCPQEU-OAHLLOKOSA-N 406.483 1.858 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1300630934 JWYHDFYGARNLPL-OAGGEKHMSA-N 413.519 1.209 30 10 HDEE CC(C)(C)N1CC[C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1300725274 YXBRZEFHYVTIAE-SJLPKXTDSA-N 411.506 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)OC)CC1 1300726775 QNYJDOUFJQKKQV-UHFFFAOYSA-N 410.522 1.655 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1300763778 SHRJBKWOYWTUQE-KGLIPLIRSA-N 400.595 1.488 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c(C(F)(F)F)cnn1C 1301440477 HETFQCXMIFELGP-SNVBAGLBSA-N 415.397 1.294 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301490810 FAKJLQHFYDPINN-QYWGDWMGSA-N 414.510 1.359 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1301514743 MOSOUKDHBSSAHH-HXUWFJFHSA-N 414.441 1.610 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CC)C1 1301558217 UDXHIIHDDHZWIO-OKZBNKHCSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCC2)C1 1301578562 DMAMUJKAKXYSBJ-KRWDZBQOSA-N 418.567 1.939 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H]1O 1302842356 QBBCPCVHNRNDQJ-MNEFBYGVSA-N 413.478 1.351 30 10 HDEE N#Cc1c(NC(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)sc2c1CCCCC2 1307873479 FOJZLOIAZYZDJF-LJQANCHMSA-N 423.560 1.717 30 10 HDEE C=C(C)C[C@@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OC 1308902860 UOKUGSYFLAEQMD-LJQANCHMSA-N 423.535 1.896 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1310744983 FIJFAAONAAEJOI-CQSZACIVSA-N 410.316 1.492 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCOC)CCOC1 1314120139 JWVFVAAQXWTUPW-PMACEKPBSA-N 407.515 1.723 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1358871534 GVTMBFZFVAPVQQ-HZPDHXFCSA-N 419.551 1.906 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC(C)C 1358893917 FFTAERQOFILSIE-ZDUSSCGKSA-N 410.569 1.420 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1358895269 GKENXISZIWMWQZ-GUNSETOZSA-N 413.547 1.785 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CC#C)CC1 1358922529 IPDMMWKBWMKCPM-UHFFFAOYSA-N 411.531 1.517 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1358962192 MASYNSYTPHBACW-ARFHVFGLSA-N 412.581 1.550 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(O)CCC2)CC1 1359032856 GFPBPUHHJRUDCV-UHFFFAOYSA-N 411.506 1.633 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCO2)CC1 1359044593 JVDYRRYMPKGXPH-RBUKOAKNSA-N 415.538 1.707 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359105675 SOCNIFAYZGLZTB-NUJGCVRESA-N 404.515 1.352 30 10 HDEE C=CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1359221328 YANPBPAXZMJRPV-VQTJNVASSA-N 424.567 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359326504 BPQRUQLDAMTLET-RDJZCZTQSA-N 411.572 1.697 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1359340095 AWNUSYOKRDDWMV-UHFFFAOYSA-N 418.567 1.934 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)c1 1456966913 KHYCGDLQAHOXJK-UHFFFAOYSA-N 401.444 1.233 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)nn1 1463925941 GYJRLBGECCRJAI-UHFFFAOYSA-N 413.887 1.306 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)c3ccc(C#N)nc3)CC(=O)N2C(C)(C)C)cn1 1464067805 CEDOHKUGOGSUOD-ACJLOTCBSA-N 416.507 1.353 30 10 HDEE C#CCCS(=O)(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1464176189 SOAXNHMKIQCAPW-UHFFFAOYSA-N 419.507 1.735 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)CO)c1 1468044049 UURNGXJAKUDECZ-GFCCVEGCSA-N 423.878 1.788 30 10 HDEE C#C[C@H](NC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccc(Br)cc1 1470663078 KLVNQEWQMDODSJ-CVEARBPZSA-N 420.307 1.796 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1471028844 DJCMJTLYIRYSPS-QTJFZDIUSA-N 406.483 1.475 30 10 HDEE O=C(NCC#CCO)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1471153016 OTDRYYPXPBSAJU-UHFFFAOYSA-N 412.456 1.903 30 10 HDEE CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1c(F)cc(C#N)cc1F 1475553655 FUZGYKONGKUEPD-UHFFFAOYSA-N 423.397 1.867 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1476282127 XNYQTXWMXITISX-UHFFFAOYSA-N 407.902 1.235 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1478858452 QAOJBIINBFAAFU-UONOGXRCSA-N 407.452 1.303 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1482044997 RIZGVMGKYQPKME-IYWGDAJJSA-N 402.539 1.390 30 10 HDEE C#CCCCCCC(=O)N(CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1490024804 BZEBFANGLVQJAV-NHHWGVFUSA-N 402.535 1.805 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1494252333 HKPMMSVSFQWCAB-CQSZACIVSA-N 401.492 1.619 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1503727628 OTZAUMFYHLHSRP-VXKWHMMOSA-N 421.505 1.257 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)c1 1504338454 FZFXQTIUWLDJGW-NRFANRHFSA-N 421.436 1.938 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1504965650 PCGSTXRNYCNGQB-SYNHAJSKSA-N 422.505 1.703 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)CC1 1505319601 CIIDBDJQWJNSNR-UHFFFAOYSA-N 408.466 1.192 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1507518095 KQEHSPMLOBZYJH-PGRDOPGGSA-N 418.586 1.414 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1507533502 NDOGJLWDNTXAKV-HNNXBMFYSA-N 421.505 1.659 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1507604128 XNIJDIGWMCMRTB-OAQYLSRUSA-N 416.478 1.846 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507622701 LDBKCNHBUIPXBT-NUJGCVRESA-N 407.584 1.901 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1507638928 UAXREIOHBXGMID-ZWKOTPCHSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCC[C@@H]1C 1507656278 DXGZGAPBQPTPGL-KKSFZXQISA-N 411.531 1.894 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1507680926 OTMLJFMDLQOBLA-MRXNPFEDSA-N 404.492 1.224 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1507684910 JGKCLLCAYIIJOL-UHFFFAOYSA-N 421.523 1.313 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(CC)(CC)OC)CC1 1507725895 BZEHJVWKADYURU-UHFFFAOYSA-N 402.543 1.361 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1507730746 UTZNURRUIUNNFH-SFHVURJKSA-N 409.538 1.264 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507747972 NFTLPPKKQNAMEF-NRFANRHFSA-N 406.515 1.900 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1 1507797462 LQOGPEKMICYTAX-XHSDSOJGSA-N 412.581 1.715 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1507805835 DMDZZRWZUZPCHZ-IBGZPJMESA-N 417.602 1.943 30 10 HDEE C=C(Cl)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507875722 WUBQFRFUIUPOHA-QMTMVMCOSA-N 409.918 1.786 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)CC1 1507942318 ORNDGPUVGPLTEB-UHFFFAOYSA-N 424.548 1.550 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1508090533 OJUZQOCCYCURCU-QGZVFWFLSA-N 404.515 1.269 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1508092784 RDISHQIRFASHNU-QGZVFWFLSA-N 410.478 1.504 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1508427224 LCLQZOWSYGJGQR-HZPDHXFCSA-N 410.478 1.836 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1508818845 QKUDJBFPJJVCAW-AWEZNQCLSA-N 403.874 1.494 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1509945898 FQOQCHMLMRBNBD-FZFLATATSA-N 420.477 1.529 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1513974903 GDEUPJOXQUYHGV-IBGZPJMESA-N 423.521 1.254 30 10 HDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1515720042 VRRPBGXKPXMHRD-HOTGVXAUSA-N 412.560 1.582 30 10 HDEE CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1516981881 WRPKYCIYKGKWPX-ZWKOTPCHSA-N 411.466 1.922 30 10 HDEE Cn1cc(-c2nnc(N3CCCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1517374097 HWIKEKIGVCSVBY-CZIZESTLSA-N 424.509 1.976 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518748763 JBVVESJVBLQWNU-SWLSCSKDSA-N 402.430 1.301 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1cccc(Br)c1 1527510592 OBEMEWSOXQBJIR-VXGBXAGGSA-N 405.212 1.144 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 1533848358 BVCUDFNHBRTZDX-VFCRVFHLSA-N 412.494 1.642 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)Nc1ccn(CCN2CCNC2=O)n1 1535820435 UKNFSCUKGZWZIN-UHFFFAOYSA-N 412.450 1.586 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539062885 GJDAJQUYUTTXAV-HXUWFJFHSA-N 423.565 1.830 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1539194235 UAJVMIAMLXRZEB-UHFFFAOYSA-N 416.551 1.186 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1539286475 DBZCQQDCEPGVEK-AUUYWEPGSA-N 407.471 1.518 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C(C)C)CC1 1539462167 CTSHOUYOWGMXDB-WFXMLNOXSA-N 405.543 1.164 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539793104 KSHSXULLQLMSGK-UHFFFAOYSA-N 417.901 1.266 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540039602 CHUASTNCWZSGOT-AEFFLSMTSA-N 412.494 1.791 30 10 HDEE C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1540504663 CBWFGGAUVDUOFD-CYBMUJFWSA-N 424.486 1.336 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1540871547 NWZBBIZQHADCRS-QGZVFWFLSA-N 415.542 1.579 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1540901722 NFSZIOCJPZTOGL-UHFFFAOYSA-N 421.502 1.012 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@H](C)O1 1544755383 LMXLSBPOPBKCQJ-IRXDYDNUSA-N 424.505 1.679 30 10 HDEE CCCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(N)=O)C1 1548367514 HDYSTGAXWKESQW-CQSZACIVSA-N 404.414 1.293 30 10 HDEE CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H](C)CC#N 1554510574 DFSINUHFPCFVAC-HNNXBMFYSA-N 406.512 1.453 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1555252194 WPNQYOGFYQNRJK-UWJYYQICSA-N 410.478 1.195 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)cc1 1555990744 GYUZJZXUALTDCN-UHFFFAOYSA-N 419.489 1.995 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1557975244 ANDZHVHYLZAKOS-CQSZACIVSA-N 413.482 1.328 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H](CC#N)C(F)(F)F)C1 1558441910 CMCPYFMTHNVDGB-QWRGUYRKSA-N 413.418 1.371 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)C1=O 1561513381 FPSJTHNXUPIFES-QGZVFWFLSA-N 409.483 1.469 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1 1561591307 QIMZWPHXMOJZGH-HNNXBMFYSA-N 420.512 1.452 30 10 HDEE C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1561778429 CQCWPCWHAXYXMV-INIZCTEOSA-N 414.549 1.603 30 10 HDEE C#CCN(C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C1CCN(C)CC1 1564235892 FYFFEYRHTWYLEI-UHFFFAOYSA-N 405.587 1.352 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCOC[C@@H]2CCOC2)C1 1565597558 MOCGIWTWXICYLM-CYBMUJFWSA-N 408.296 1.926 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1566160612 BJZPARPTIPKQLU-AWEZNQCLSA-N 400.410 1.672 30 10 HDEE C#CCN(CC(=O)NC1CCN(c2cc(CC)ncn2)CC1)C(=O)OC(C)(C)C 1566249483 RPPVLZIYOIGNIX-UHFFFAOYSA-N 401.511 1.994 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1568076544 KLNKJCHBHLIFQO-KRWDZBQOSA-N 419.522 1.391 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 1568492186 DSLKHYODNSKWAX-QGZVFWFLSA-N 408.853 1.938 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)[C@@H]3CCCOC3)C2)C1 1570326155 AFBALPPKDURZMU-UGXBSWJRSA-N 407.511 1.677 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3sccc3CC#N)ncnc1-2 1585375953 VWLLXLXZBPGVOU-UHFFFAOYSA-N 420.296 1.469 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1586367740 DISSBUPUMRYONS-LRAJWGHMSA-N 422.478 1.200 30 10 HDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CN1CCOCC1 1586802991 STIVPOLKMGNFPU-ZUHIPDPLSA-N 420.554 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1587638416 DSYCPIJHVXWRSS-SWLSCSKDSA-N 405.405 1.630 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1587888951 QBWAVIIKKMQLHC-UHFFFAOYSA-N 415.469 1.880 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C(CC)CC)N1CCOCC1 1588006675 OVGMVVFROSOMCV-LJQANCHMSA-N 416.570 1.607 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1588314655 MGFGXZMLJIXWEU-UHFFFAOYSA-N 400.483 1.770 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588434333 XVMNANDFXQMCMV-UWJYYQICSA-N 401.511 1.588 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1588560812 VPCKDXHRBSYSAX-NRFANRHFSA-N 417.485 1.549 30 10 HDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C)C1CC1 1595051425 ZSPXOSZAMYRLEV-UHFFFAOYSA-N 417.539 1.481 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1595281985 BOIVKIIOQFOVBZ-QGZVFWFLSA-N 415.519 1.890 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)c2S1(=O)=O 1615099241 YISWBQAVCGCRSK-LBPRGKRZSA-N 414.274 1.819 30 10 HDEE CN(C)c1noc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1617195967 LWPWZHHJLQGHCH-UHFFFAOYSA-N 405.256 1.522 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1618436777 NXDZSHKMQUGOKL-IETCZJMGSA-N 424.440 1.252 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1620165802 XLPDCIOZRDEASE-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1623668910 FTADUMJLHLXTCN-UHFFFAOYSA-N 408.483 1.713 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncc4c(F)cccn34)CC2)cc1 1624062262 NTFTWBSFYUZQKK-UHFFFAOYSA-N 413.434 1.492 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1)c1cc[nH]n1 1624359647 JYUOPICHJJVUCD-HOCLYGCPSA-N 401.423 1.125 30 10 HDEE C=C[C@H](O)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1624997549 WBMFCDOGHDIIIL-XBUHWIKASA-N 422.459 1.412 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)n2)c1 1625439087 WIUCDJUVOGXCQL-UHFFFAOYSA-N 407.411 1.722 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1626560021 HTVDEPYQMLEADP-DKTYTTGXSA-N 423.554 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1627791719 DOQHUKJQJACDLK-QGZVFWFLSA-N 400.479 1.205 30 10 HDEE CN(CCN1CCCC1=O)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1627967596 KCFMYMKYBSQWCW-UHFFFAOYSA-N 405.296 1.838 30 10 HDEE Cn1cc([C@H]2N(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2(C)C)cn1 1634260015 OGAZSPMTCCMGCZ-GOSISDBHSA-N 415.519 1.849 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635416018 XXXQLPQHKWHIRU-ZFWWWQNUSA-N 419.532 1.785 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCCS(=O)(=O)C1CCOCC1 1635437642 RITCDVMAQBMQPG-UHFFFAOYSA-N 400.497 1.453 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)c1 1635985488 HEDWAZMCHXXPJM-GOSISDBHSA-N 410.499 1.618 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1636105712 KSSPGFRIBJSKJS-QGZVFWFLSA-N 423.535 1.860 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1636700255 RROHYHBSSFNUDW-ZDUSSCGKSA-N 405.314 1.513 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC(=O)N(C(C)(C)C)C3)CC2)c1C#N 1637113332 AVFLZNMNUGHTIW-AWEZNQCLSA-N 404.540 1.802 30 10 HDEE Cc1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(F)cc1F 1639552283 RHHRTWTXHFRMFR-UHFFFAOYSA-N 400.345 1.622 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 1640307023 ITVBLENWIZBMJQ-UONOGXRCSA-N 412.471 1.594 30 10 HDEE CCn1cc(C#N)c(=O)n(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1=O 1643615386 IXANEKUTTZHKFU-FOIQADDNSA-N 404.467 1.318 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)n[nH]2)c1C 1645748466 LRAVEGGGQPETRP-RISCZKNCSA-N 406.512 1.073 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1)C2=O 1647114826 DCUCRNHKBVGQLB-CXJKMVGQSA-N 413.478 1.055 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155639 LCJOJUIRVZJNRT-XMDUPGNXSA-N 411.524 1.419 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](CO)c2ccccc2I)CC1 1648537040 LPTGMNGLTULQSN-INIZCTEOSA-N 412.271 1.786 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1654002302 SPRZTWJITNYUFJ-QGZVFWFLSA-N 407.511 1.394 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@@H]1C(=O)OC 1655867034 WLBRFEZXLWGDFE-SOUVJXGZSA-N 419.503 1.771 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1658720957 YPWUNWHPWIBYRP-HXUWFJFHSA-N 405.520 1.114 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 1667595596 MIQMFCBBJGKZTK-UHFFFAOYSA-N 400.479 1.143 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 1673992450 HGVNELAYLRGMAS-UHFFFAOYSA-N 420.539 1.806 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 1679944742 PUXQMANYLHBHFM-USXIJHARSA-N 407.515 1.298 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1683129752 DJJHXYWLYUFEJQ-KXBFYZLASA-N 403.479 1.879 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)C1CCOCC1 1684187747 BQFKOACNEJTDTD-NRFANRHFSA-N 401.507 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1690000040 QBTZLRKLORFFNW-UHFFFAOYSA-N 409.581 1.027 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CC(F)(F)F 1690000215 WAAORRBCMMKKRY-UHFFFAOYSA-N 419.411 1.492 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)CC 1690026541 CVRPETPECPXVTR-UHFFFAOYSA-N 400.504 1.673 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)CC1 1690364522 SGASOUDDYKMWSK-HNNXBMFYSA-N 405.524 1.993 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1690527476 OWSWWKFTKCGMNV-CABCVRRESA-N 420.514 1.487 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCS(C)(=O)=O 1690574190 RLGJBAUPTMKRAY-UHFFFAOYSA-N 411.553 1.715 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1690620142 RIPLKQFTDFWFBF-UHFFFAOYSA-N 419.489 1.708 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690661294 YVKANNOIJAVWJY-VGSWGCGISA-N 410.522 1.824 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1692592216 VGWBJQICWNUZBM-QRWLVFNGSA-N 414.514 1.643 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698283088 CAQUMQHVQXETNR-HMWBCQRISA-N 412.450 1.598 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC=C)CC1 1705648352 RRKGZXLKXBGGGT-KRWDZBQOSA-N 419.551 1.112 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705729207 PFDJCTKCPRFJKA-RCCFBDPRSA-N 403.527 1.826 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705752022 GAKQSZXJSWHUIA-CQSZACIVSA-N 423.930 1.492 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705825567 XANIUXKPXVKTMW-SFHVURJKSA-N 413.526 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(C(C)=O)CC1 1705933393 FTCNBGYNSUNWRS-UHFFFAOYSA-N 421.523 1.506 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1706199870 OFPSZFDAJMGEEU-WMZOPIPTSA-N 424.505 1.605 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1707953045 UNNHQPQJSVNJKW-QGZVFWFLSA-N 405.506 1.746 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1711281051 DUSIPKPMSUKRNT-OXQOHEQNSA-N 405.522 1.250 30 10 HDEE COCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712616532 ZHORRASNLDPKNN-QGZVFWFLSA-N 400.483 1.686 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1722281791 AMBNDHSXRHFHEU-QGZVFWFLSA-N 410.522 1.759 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1722371730 XVNWDJLPLLEPRU-ADKAHSJRSA-N 424.567 1.647 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCc2ccccc21 1722371747 XXAFCFQHCVCDIO-QHCPKHFHSA-N 403.486 1.421 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1722397848 VRHQINCQEISFCX-AWEZNQCLSA-N 411.325 1.552 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1722436230 AJNALRXHYOSNHM-HXUWFJFHSA-N 422.533 1.269 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)CN2CCCC2)CC1 1722447611 NGWWJYSCBSSFJK-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1722493514 ZBHBHZHERXWEPH-ILXRZTDVSA-N 413.544 1.095 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1722629423 QUNPXEJZJPWJHU-IBGZPJMESA-N 404.540 1.928 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(C)(C)C)C1 1722702057 JICNKAPRKBPZPE-KRWDZBQOSA-N 415.542 1.693 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](OC)C1 1722706386 QINULYDZDOGVIZ-QGZVFWFLSA-N 403.458 1.914 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC[C@@H](O)C1 1729033114 HSPDXUGFEHEARF-WMLDXEAASA-N 412.494 1.901 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1730697968 SJXFCJHBLUNRDJ-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1=O 1730792458 YDBBGZZBQVLZBN-UHFFFAOYSA-N 421.461 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740561115 WXQFQIOQTSOXHV-UWJYYQICSA-N 416.547 1.461 30 10 HDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740588249 MXUWTXFZLRVLOA-UHFFFAOYSA-N 419.493 1.002 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740637412 ARVLJAWLOZZVDP-VXKWHMMOSA-N 419.529 1.470 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1740660183 JHEJZYBGLJXFTP-UHFFFAOYSA-N 423.502 1.876 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1740696900 KETGNVIHMAZRPY-HXUWFJFHSA-N 420.561 1.847 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1740716395 QMOGVHLJRHDBAU-INIZCTEOSA-N 411.535 1.317 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740718030 GJFJWSKQNSFVAT-DNVCBOLYSA-N 405.524 1.917 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ncn(C)n2)CC1 1740840821 BMEYQOYMWOAATE-UHFFFAOYSA-N 412.523 1.849 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740879054 DXAAAVHWJYYTRJ-NRFANRHFSA-N 413.526 1.852 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1741125196 KOZUZLBVPPRLIA-HMDCTGQHSA-N 410.522 1.979 30 10 HDEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1748745682 PHTCPSUMVCBQOR-UHFFFAOYSA-N 414.535 1.836 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1748824353 OMPBGKLETUFLOJ-INIZCTEOSA-N 410.540 1.258 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2noc(CC)n2)CC1 1748987578 YHHBWAVUMJVFSB-UHFFFAOYSA-N 406.494 1.592 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749039277 SEEPQYURJJGHEL-KRWDZBQOSA-N 405.568 1.986 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1749154109 MAOOFTYLDLYSCH-ZWKOTPCHSA-N 404.559 1.988 30 10 HDEE C=CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749408504 KLJGBPJCFWBTFE-UTKZUKDTSA-N 421.542 1.626 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749502422 USOFGUHQUJVSDC-GOSISDBHSA-N 410.471 1.168 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1749767554 YMHBFNIQGHDWAQ-BQFCYCMXSA-N 421.567 1.732 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1750379729 GYBQHHXJWWTFOX-FOIQADDNSA-N 417.489 1.510 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1752406271 VNHYLRSXTQRZNF-QAPCUYQASA-N 414.535 1.534 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759988684 SKWIWTBXQKHCKA-AGNRALNMSA-N 412.530 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1760114602 PLWKVSBBXQEBDA-ZDUSSCGKSA-N 400.483 1.626 30 10 HDEE C#CCCCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1760142945 RRSLAEAWFMFGDL-DYESRHJHSA-N 403.527 1.791 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760186546 DHHNCYGSWZDQJI-IKGGRYGDSA-N 417.535 1.212 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760187922 LZDIPYGRSZYJON-OAHLLOKOSA-N 423.539 1.307 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1760187989 MOZPLPXWYJWLGH-SFHVURJKSA-N 416.551 1.686 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NC 1760212423 UQNRXPCWURVUHK-QFIPXVFZSA-N 415.538 1.554 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ncnn1-c1ccccc1 1760249763 SDTUDFFEVZXOLY-GOSISDBHSA-N 421.505 1.887 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCCOC)CC1 1760261185 MBONTLSTTRLOEV-UHFFFAOYSA-N 422.533 1.699 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2noc(CC)n2)CC1 1760261993 FULMTYPUPFMDDX-UHFFFAOYSA-N 406.494 1.207 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1 1760415330 VNGCJTZIUKCRHU-UHFFFAOYSA-N 403.531 1.464 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(C)C(=O)C1 1760551844 TUOUTWVBPWFVRX-UHFFFAOYSA-N 417.535 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)nnc1C(C)(C)C 1760558444 PCWONWNQEMUDIJ-KBPBESRZSA-N 420.601 1.434 30 10 HDEE Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762628054 LHMAYAOFJCTZRM-PANRORFQSA-N 422.489 1.865 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@H]1CCOC1 1768579003 WXKPXABENSPEAI-INIZCTEOSA-N 419.507 1.389 30 10 HDEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1770597695 SQTSGYIOSKPABJ-CYBMUJFWSA-N 400.574 1.771 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)C1 1770727123 CCYLWYXIKPPBGH-YJBOKZPZSA-N 411.503 1.786 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770787604 VVOYAOWQMYHRSP-HKUYNNGSSA-N 409.469 1.978 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1770861668 NPCSTVKPYOTEBA-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]nc1C 1771223314 UJTVCCUYMWKRRI-WBVHZDCISA-N 403.487 1.395 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)NCC1CCN(c2ncccc2C#N)CC1 1850066284 MDEWILHEWFQUJW-UHFFFAOYSA-N 406.446 1.748 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)ccn1 1850473178 OKNAUHBJDHWWPV-UHFFFAOYSA-N 406.490 1.579 30 10 HDEE CN1CCN(C(=O)CCC(=O)N(C[C@@H]2CCCO2)c2c(C#N)cccc2C#N)CC1 1851212923 BVKYJBHTALVABL-IBGZPJMESA-N 409.490 1.496 30 10 HDEE COc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1OC 1851213896 VIABLRXFUCZDBS-UHFFFAOYSA-N 406.446 1.846 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1C#N 1851320968 NKQUTALMCBEWSG-LBPRGKRZSA-N 404.414 1.914 30 10 HDEE Cc1nn(CC(=O)O[C@H]2CCc3cc(C#N)ccc32)c(C)c1S(=O)(=O)N(C)C 1851525350 HVZRBKBSPPNHEW-KRWDZBQOSA-N 402.476 1.853 30 10 HDEE Cc1nn2c(C)c(C(=O)NCc3cncc(N4CCN(C)CC4)c3)cnc2c1C#N 1851785708 AWQSQWNWJWXGIG-UHFFFAOYSA-N 404.478 1.295 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CC(=O)N(CCc3c[nH]c4ccccc34)C1)CC2 1853007923 GOKVZBZBSIMNSZ-OAHLLOKOSA-N 402.458 1.739 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nnc([C@@H]3CCOC3)o2)cc1 1853322079 FXVHRIHPLASPTL-IEBWSBKVSA-N 414.462 1.742 30 10 HDEE Cc1nn2c(C)c(C(=O)NCC3CCN(C(=O)c4ccncc4)CC3)cnc2c1C#N 1853354611 CTMXLNRCQDVNOA-UHFFFAOYSA-N 417.473 1.895 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCCC2 1853676550 OUNLRYIKQWJRDH-INIZCTEOSA-N 416.547 1.915 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1=O)[C@@H]1CCN(C)C1=O 1853828907 QHIDSGHZFWDFHB-ZWKOTPCHSA-N 419.909 1.955 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccc(N(C)C)nc2)C1=O)[C@@H]1CCN(C)C1=O 1854082469 QSGKSWPNOZYWSE-ZWKOTPCHSA-N 413.522 1.388 30 10 HDEE C=CCN1C[C@H](C(=O)OCCSCc2cc(=O)n3ccc(C)cc3n2)CC1=O 1854132437 BZBXCWMFKAFREK-OAHLLOKOSA-N 401.488 1.814 30 10 HDEE CN(Cc1nc2ccccc2n1C)C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1854209222 FRUKSKLJDZRQAU-OAHLLOKOSA-N 402.458 1.961 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)c4ccno4)C3=O)CC2)CC1 1854366971 QALKYMKZOPDJSK-QGZVFWFLSA-N 413.478 1.280 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C(=O)C2)C1 1854393676 OHSMKDLJWXVLGB-GOSISDBHSA-N 401.511 1.024 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC3CCCC3)CC2=O)cc1 1854457889 ALWYYTYDSNHDOG-UHFFFAOYSA-N 403.504 1.682 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)CC2=O)cc1C#N 1854526420 NCFFGKMJHFXHKT-UHFFFAOYSA-N 403.382 1.433 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(CC(=O)N4CCCC4)CC3)CC2=O)cc1 1854899417 LBHMAXDEIMJAFT-HXUWFJFHSA-N 408.502 1.881 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@@H](C)n3nnc4ccccc4c3=O)C2=O)CC1 1855162244 CXQSLPBMMRYQLT-APWZRJJASA-N 409.490 1.912 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)c2cnc3sc(C)nn3c2=O)C1=O 1855375872 VMOBLBKDKFLNNJ-ZFWWWQNUSA-N 401.492 1.631 30 10 HDEE CN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)CC1=O 1855619488 OHVFHZYIPYONSE-CQSZACIVSA-N 400.504 1.582 30 10 HDEE CN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4ccc(C#N)cc4)CC3)CC2=O)CC1=O 1855875305 SNXKXGWWXJGQCK-WOJBJXKFSA-N 408.502 1.624 30 10 HDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)C3(CCCC3)C2=O)CC1=O 1856600805 WGQQIHOYVDJOCA-KRWDZBQOSA-N 412.465 1.659 30 10 HDEE C[C@@H](C(=O)N1CCN(CCC#N)C2(CCCCC2)C1=O)n1nc(C2CC2)ccc1=O 1856627425 GIHNFJFVXBMHQY-INIZCTEOSA-N 411.506 1.969 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H](F)CC3CCC3)C(=O)O2)CC1 1856671368 BSCZMRMPHMNBJM-CABCVRRESA-N 401.460 1.427 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(COC)cn2C)C1=O 1856734875 ABVWGTDQGRUBHM-IAGOWNOFSA-N 402.495 1.021 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc4c(OC)n(C)nc4c3)C(=O)C2)C1 1856867029 SGSFCENXDIFVLI-KRWDZBQOSA-N 411.506 1.517 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCN(C(=O)COc3ncccn3)C2=O)CC1 1857307977 YQYJOQHJBYQXHS-SFHVURJKSA-N 405.458 1.540 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)cc1 1857388416 KASWNRSKGOCENF-UHFFFAOYSA-N 411.483 1.511 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1 1859014039 VUQDFYMPKYSMPO-UHFFFAOYSA-N 418.446 1.775 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1C(=O)O 1862598152 RQZRCPPCLLBNRO-GOSISDBHSA-N 424.409 1.805 30 10 HDEE CCOC(=O)CCN(C)C(=O)CNC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868784447 XBPQOHJBJWSVRH-MRXNPFEDSA-N 420.535 1.553 30 10 HDEE CCOCCCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931983 ORPMRXKWECUIBG-GOSISDBHSA-N 415.515 1.879 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccccc3[N+](=O)[O-])cc2C1=O 1870158620 GFBCWMUOGKOGGV-UHFFFAOYSA-N 417.341 1.525 30 10 HDEE C=C(Br)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1883385782 FQEJVXPAMLGINT-GFCCVEGCSA-N 406.254 1.689 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 1890190303 ZNSGQHNDMYSXJK-IBGZPJMESA-N 414.550 1.441 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 1975561654 SSMMDTUXNQHECF-GJZGRUSLSA-N 408.304 1.961 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2010402102 MIGNBCMVPZBFKO-ZIAGYGMSSA-N 422.331 1.766 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174789744 UTBQJAGDHAPVJG-JYCPIGSLSA-N 420.557 1.574 30 10 HDEE C#CCN(CC(F)(F)F)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2180082340 IDRUZXQNRKWXSF-LBPRGKRZSA-N 412.430 1.435 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2212744077 HCGQGLMBKDMBFT-UHFFFAOYSA-N 405.304 1.457 30 10 HDEE N#C[C@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2229474651 NYVDAZOISHAZLI-YWZLYKJASA-N 417.487 1.397 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402829 NTAVMHZYGRNASQ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829496 UAYDCPHIECXDBL-QWHCGFSZSA-N 420.319 1.885 30 10 HDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2248058502 ZECXHNOIXTVCID-UHFFFAOYSA-N 418.303 1.467 30 10 HDEE C[C@@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248064039 QXVLWCJATOXOLG-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE CC1(C)OB(c2cnc(NS(=O)(=O)C3CC4(C3)OCCO4)s2)OC1(C)C 2252835558 PQXGNFNREHDTCC-UHFFFAOYSA-N 402.303 1.090 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)c2)OC1(C)C 2267715008 QOVXWIUOLJYFHL-MRXNPFEDSA-N 409.313 1.560 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2267727045 SFFZCOBXRRTZFS-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(C(=O)O)CC3)cc2Cl)OC1(C)C 2269038080 MJAPNFFSTODAGG-UHFFFAOYSA-N 407.706 1.596 30 10 HDEE Cc1ccc(NS(=O)(=O)C2CC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2277957496 YGXVSTYKDCMHKG-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE CCn1ncc(NS(=O)(=O)c2cccnc2C#N)c1I 2280044797 VVYOROMLCRSVSB-UHFFFAOYSA-N 403.205 1.575 30 10 HDEE CCn1ncc(NS(=O)(=O)N2CCC[C@@H](C#N)C2)c1I 2280050560 LLCGBNJCQVUORT-VIFPVBQESA-N 409.253 1.400 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CCC2(CC1)OCCO2 2282171353 IXKYLTAQSROTAZ-UHFFFAOYSA-N 404.316 1.987 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304564 MDHAWLNLYMMDHN-RYUDHWBXSA-N 405.322 1.449 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)CC(F)F 2282304801 PNMGPQFEXQPENF-JTQLQIEISA-N 411.301 1.650 30 10 HDEE CC[C@@H](CCO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505137 ZFSVANYJRZAIBB-ZDUSSCGKSA-N 403.375 1.875 30 10 HDEE CC1(C)OB(C2CC(C(=O)NCCNS(=O)(=O)C(F)(F)F)C2)OC1(C)C 2282662625 DBRVARAKQHICKE-UHFFFAOYSA-N 400.228 1.414 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCNC3)c(Cl)c2)OC1(C)C 2282828919 WZPDSCUNXGXUJW-GFCCVEGCSA-N 400.737 1.527 30 10 HDEE CNC[C@@H](C)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282832839 SGBSGTWXLVNFST-GFCCVEGCSA-N 402.753 1.773 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282838877 VUHNJADMBHTTMU-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCC3CNC3)c(Cl)c2)OC1(C)C 2282866375 ICZINYWTTKKPFP-UHFFFAOYSA-N 421.155 1.790 30 10 HDEE CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876472 DMMQXSZETIEHJN-ZIAGYGMSSA-N 401.359 1.971 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282883515 BKONQILWLDKHEB-STQMWFEESA-N 400.375 1.653 30 10 HDEE CN(CCC(=O)O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284413624 AMPSQIJTNSHFNR-UHFFFAOYSA-N 403.693 1.734 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC(CO)(C(F)F)CC1)C(F)(F)F 2289999355 RQLKLVADNLUMNY-SNVBAGLBSA-N 400.266 1.852 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1nc(Br)nn1CCOC 2307966912 LTXGFUANSWWJGI-QWRGUYRKSA-N 402.293 1.603 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C#CC(C)(C)S(C)(=O)=O)C[C@]2(CCCO2)C1 2365192924 XTNULMSKKMATMU-RBUKOAKNSA-N 401.525 1.734 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365200665 ADWRRVXMCYMLQF-HOTGVXAUSA-N 402.557 1.802 30 10 HDEE CCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2367297283 PIVQVBXUTGXGDK-NQNKBUKLSA-N 400.541 1.188 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367799396 ALVNBJPSNGBDAR-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1 2367802754 DTYWIAVQMKOURL-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C1CCOCC1 2367803802 NHZIYCLEJVELSC-HNNXBMFYSA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2367822938 XVSSIFCPBWXMGH-DNVCBOLYSA-N 400.541 1.307 30 10 HDEE CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 54882188 XOILDQQVLOCKOV-INIZCTEOSA-N 406.508 1.743 30 10 HDEE COc1cc(/C=N/Nc2nc(SCCN3CCOCC3)n[nH]2)cc(OC)c1OC 59830873 UHJWOHRVKABJKW-XDHOZWIPSA-N 422.511 1.701 30 10 HDEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(OCCO)cc1)CC2 72122593 JLXWSPNRJCIHOD-IBGZPJMESA-N 418.490 1.531 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 111047145 RBZQZSWRQQZDJI-GOSISDBHSA-N 400.504 1.550 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 254870720 FRHIXSCNKRWPKW-CHWSQXEVSA-N 400.453 1.682 30 10 HDEE COCCN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@H]2NC1=NC(=O)OC(C)(C)C 310032222 YIAGEYXFMVMLMB-SJORKVTESA-N 402.495 1.856 30 10 HDEE C[C@H]1C[C@H](O)C[C@@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 429313953 DXCIEBOXUDRPGZ-MUJYYYPQSA-N 413.478 1.689 30 10 HDEE CNC(=O)C[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 430931161 AXTBEUCEOVSYQM-WOJBJXKFSA-N 419.485 1.836 30 10 HDEE COCCN(Cc1cc(C#N)ccc1OC)c1c(O)nc(=O)n(CC(C)C)c1N 438704545 CYBABGWKWZTSPH-UHFFFAOYSA-N 401.467 1.720 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1nnc2n1CCCCC2 464820162 DXLKAECRCSLYQN-GJZGRUSLSA-N 409.498 1.647 30 10 HDEE C=CCNC(=O)CN1CCN(CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 471714882 IRXFGOSVTFDJTJ-UHFFFAOYSA-N 407.580 1.678 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1 482530087 IULWXTFXROVWKT-MRXNPFEDSA-N 415.471 1.838 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 495295491 XGRKBKZWXZMESQ-UNMCSNQZSA-N 417.513 1.953 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 505363255 ZHLVDHMHCJPPLV-OAQYLSRUSA-N 400.523 1.974 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2F)c1=O 522673285 CBJSHMCZPICESU-UHFFFAOYSA-N 408.458 1.644 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)n1 546906590 BANJBSOEYZBOEM-MRXNPFEDSA-N 411.412 1.933 30 10 HDEE C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546919325 QSCGOBBHPPAPAD-IEBWSBKVSA-N 421.501 1.762 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(C)(C)C)CC1 564380666 ZVGMSZVIFJBPOL-INIZCTEOSA-N 409.556 1.980 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590342965 XDKNOUACBRWVON-ZWKOTPCHSA-N 404.474 1.507 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603733204 GNDCVIMOSSBIFU-UHFFFAOYSA-N 409.471 1.089 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(Cc2n[nH]c(C)n2)CC1 611431076 MGZDHSTWIRRPLC-MRXNPFEDSA-N 411.510 1.575 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@H]2CCCO2)c1=O 679755113 KCNDXIIYFWZHFI-MRXNPFEDSA-N 412.515 1.085 30 10 HDEE CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1I 694986197 WOMPHYQTGHQFJR-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730143798 VPLVDMWOEQPVDS-INIZCTEOSA-N 410.515 1.862 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCCCC3)cc2)CCN1C1CC1 732709013 YDHCZFZDZPCUFU-NRFANRHFSA-N 409.534 1.852 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 733649904 FLZGEBYXAXLCKH-UVTIVQHFSA-N 421.498 1.602 30 10 HDEE C=C(COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OCC 734025319 KWQDTKMOPCXGAZ-GJZGRUSLSA-N 411.476 1.761 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 738906048 OTIONSGECLSOFZ-NNLSSIJJSA-N 422.507 1.916 30 10 HDEE COc1ccc(CNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)cc1C#N 747447121 VWORHEADSHYWSM-UHFFFAOYSA-N 406.328 1.523 30 10 HDEE C#CCN(C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 752987066 FXLXCEMLWZKAPC-INIZCTEOSA-N 416.507 1.748 30 10 HDEE Cc1nn(C)c(C)c1[C@H](NC(=O)N(CCC#N)CCN1CCOCC1)C(F)(F)F 757887872 VPWURFKWVPSOGI-INIZCTEOSA-N 416.448 1.898 30 10 HDEE CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 761065000 GFJIVYOQGDLXFN-UHFFFAOYSA-N 419.434 1.754 30 10 HDEE CC(Cn1cc(Br)ccc1=O)=NNc1nccc(N2CCOCC2)n1 761809310 CESHGANDDIRSAR-UHFFFAOYSA-N 407.272 1.725 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 766364813 AORIDAMTOHATSZ-HNNXBMFYSA-N 423.491 1.698 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 774865203 PZBAUPNNAPVTLK-GFCCVEGCSA-N 402.432 1.901 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnn(CC4CC4)c3)cc2C1=O 781724686 XPQOURBHBZZWTI-UHFFFAOYSA-N 414.443 1.194 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)ccc2OC)n1 788695379 KQGXULHRUOQMSA-UHFFFAOYSA-N 421.475 1.149 30 10 HDEE C=CC[C@]1(C(=O)N(C)C[C@@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 790744772 AGIAILZIKMVPJT-DYESRHJHSA-N 411.543 1.484 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](CC)O[C@@]3(CCOC3)C2)ccc1F 794305691 XNNVWMKVXVDEIZ-KXBFYZLASA-N 412.483 1.700 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccccn1 1084289685 NSVUBRSTTQOCFF-UHFFFAOYSA-N 410.507 1.940 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)c(F)c1 1130150045 WHMHCVURCHQKMD-FQEVSTJZSA-N 421.494 1.330 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H]3CC[C@H](C#N)C3)CS(=O)(=O)[C@H]2C1 1142772823 ADLUWPHEGNJLCL-GCSSGZNBSA-N 411.524 1.465 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN[C@H](c3cnn(C)c3)C2)CCCN1C(=O)OC(C)(C)C 1150584791 RDBPNWJBYMINNW-UWJYYQICSA-N 401.511 1.686 30 10 HDEE CO[C@H]1c2ccccc2C[C@H]1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1162017470 FATJQZNOCITLPF-DUXSXAKTSA-N 413.499 1.932 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCn2cnccc2=O)C1 1162895643 QINHVDBUFMDHJJ-UHFFFAOYSA-N 402.252 1.130 30 10 HDEE COc1cccc(C[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)n2nnnc2C)c1 1168641441 ALEZUOSDQSFLAD-OAQYLSRUSA-N 417.473 1.969 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 1175503587 PEGJAUOWNYGMKC-YLJYHZDGSA-N 415.563 1.433 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)c1cc(C#N)c(Br)cn1 1186593418 FMPBCFMAKGGROF-UHFFFAOYSA-N 411.281 1.878 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(C(=O)OC)c(C(=O)OC)c2)n1 1189897489 VJFBQTXNLSRBMC-UHFFFAOYSA-N 419.459 1.300 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2cc(O)n3ncc(C#N)c3n2)[C@@H](C(F)F)C1 1194883881 RXBJUPOJYKRIEF-CYBMUJFWSA-N 408.409 1.993 30 10 HDEE C=C[C@H](C(=O)OC)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1195135142 FFHROGZGYNUXJR-ZACQAIPSSA-N 422.526 1.582 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1196807265 LVDQSGKETWIBCG-RISCZKNCSA-N 413.883 1.201 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)C1CCOCC1 1213181853 SHAHLEYCTOAHPO-SFHVURJKSA-N 414.549 1.328 30 10 HDEE C=CCN1CCC(NC(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)CC1 1221807999 JTDXANFNAXPUMD-UHFFFAOYSA-N 404.515 1.639 30 10 HDEE C#CC1(F)CN(C(=O)NC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C(F)(F)F)C1 1235724996 JGHKYJVXEXYXNE-CYBMUJFWSA-N 422.423 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1cccc(OCC#N)c1 1254697651 RZQQFDYPACZQES-QGZVFWFLSA-N 416.478 1.721 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286350160 WIMJEJTWLNWFAV-IBGZPJMESA-N 422.533 1.956 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286372958 AKKFDFVSHCZGCF-HZPDHXFCSA-N 416.526 1.741 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286385670 YOFXAGPAEPJIJU-MOPGFXCFSA-N 407.584 1.581 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286392546 HNJJSRPORWMIAI-BZSNNMDCSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCc2nccn2C1 1286400670 JDBHGYGKZFXEKA-XMSQKQJNSA-N 408.506 1.462 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1286433134 LYMVGGKKTNAVQK-MRXNPFEDSA-N 424.496 1.330 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(C)=O 1286464092 RCWRKQOSOBXSKU-UHFFFAOYSA-N 413.478 1.329 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)SC)CC1 1286491162 HOOXDJQKEOMRTB-MRXNPFEDSA-N 412.563 1.981 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1286525743 RIHVVDZYKIABKQ-HXUWFJFHSA-N 414.535 1.292 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1)C1CC1 1286732110 KDQAWKRBXLPHCY-GFCCVEGCSA-N 413.935 1.593 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3nccn3C2)C1 1286799363 VFBRZVUJGMGBDQ-IRXDYDNUSA-N 413.526 1.657 30 10 HDEE Cc1sc(=O)n(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1ccccc1 1289204445 JVXNTBJITFMYLV-KXBFYZLASA-N 417.512 1.282 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn(CC#N)c1 1292205306 BWMSEKZAWGXVSO-OAHLLOKOSA-N 423.882 1.232 30 10 HDEE CCc1nc(CN2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1292976877 GSGRNGCBKUNYOI-HNNXBMFYSA-N 420.514 1.863 30 10 HDEE C[C@@H](CCN1CCN(C)CC1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1296695113 DCOFIQVTCVOBHZ-SFHVURJKSA-N 406.571 1.779 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCC(F)F)C2)C1 1297196857 ISBOSKCUPRCVBW-LASWEOPPSA-N 400.426 1.271 30 10 HDEE CCSc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccn1 1297838959 DRSFUERLEFFLKX-CABCVRRESA-N 413.507 1.513 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)c1 1297956215 JSWKSZPCWKOMRI-INIZCTEOSA-N 413.499 1.075 30 10 HDEE CO[C@@]1(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCOC1 1299820827 MEKGWZOTKFWBRP-OAQYLSRUSA-N 412.494 1.916 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 1299999814 UCYQRXBIZGANHC-NRFANRHFSA-N 408.414 1.981 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(CC)CC 1300446589 LZZSDNVNIQZWNM-UHFFFAOYSA-N 421.509 1.639 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1300459112 WZUNRPRRZRMOCK-FQEVSTJZSA-N 421.549 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)N1CCOCC1 1300553757 RDIYYRKOWCFNNQ-LJQANCHMSA-N 414.554 1.236 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1300580531 DNUFLIWHSNGIIU-OAHLLOKOSA-N 400.483 1.217 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)C1CSC1 1300609613 GQCSBQBLMCVPLZ-UHFFFAOYSA-N 409.577 1.416 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](OC)C(F)(F)F 1300650988 XXXVQEWBGGABMZ-AWEZNQCLSA-N 417.432 1.568 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)c2ccco2)CC1 1300731767 UKBJCXCWCSWQII-NRFANRHFSA-N 415.494 1.281 30 10 HDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300778281 QXSVKFLOSFQMAZ-YZVOILCLSA-N 422.507 1.411 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1 1300813899 UPSJZSZCHDNCGL-JOCHJYFZSA-N 412.538 1.795 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1300855575 GPPPRDCWVADURL-ZTFGCOKTSA-N 412.494 1.568 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(C2CCOCC2)n1 1300949812 UNDSNXCDWHKGSX-CYBMUJFWSA-N 403.464 1.412 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1300973256 WXMOQGLFYCUEMV-UHFFFAOYSA-N 408.503 1.288 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@@H]2COCCO2)c1 1302989065 HILDCCUZEYBPHO-HZPDHXFCSA-N 423.395 2.000 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3cnc(C(F)(F)F)c3C2)c1 1303132162 CHSGIOLABXYTNS-UHFFFAOYSA-N 412.393 1.469 30 10 HDEE Cc1nnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)s1 1304779819 CDPZFTSNYSINGK-AAEUAGOBSA-N 409.541 1.321 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)F 1305793100 WNXFLDZTBAGKBT-CYBMUJFWSA-N 400.430 1.555 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CCOCC1 1307467147 YBMIYMJEHBQGQL-NHCUHLMSSA-N 412.534 1.481 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1310011570 BJJSBJUQVLVEKS-CABCVRRESA-N 411.480 1.181 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1313106735 PFOSMDMYCCAWBB-QFIPXVFZSA-N 420.517 1.686 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1313191711 YOVZLKMLCGYZRU-JYRCXFKTSA-N 403.504 1.511 30 10 HDEE Cn1cnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)n1 1314921001 UHKZYSXSFQEFFM-SFHVURJKSA-N 402.384 1.766 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)CC1 1316538124 JFPIFNZWHXMQAR-SJORKVTESA-N 402.499 1.555 30 10 HDEE C=CC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1320419709 HMSKNZQSQCUGOT-QVKFZJNVSA-N 417.462 1.395 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)CC3(C#N)CCOCC3)c2)CC1 1355470615 RAOUDYQCBNLDIW-UHFFFAOYSA-N 406.508 1.272 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1358878506 YAMXJXREJPCXFD-BHYGNILZSA-N 418.519 1.346 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1358949496 DOOBYIDZGGQSJU-HNNXBMFYSA-N 420.514 1.181 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)C1CC1 1359026208 OGRNIPZIVBXHQF-QFIPXVFZSA-N 408.506 1.764 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1359240042 DQYYMDKMOWCWGD-HNNXBMFYSA-N 415.560 1.296 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359297674 YFHNJLRXCUPWTG-INIZCTEOSA-N 413.526 1.279 30 10 HDEE Cn1ncc(I)c1CNC(=O)Cc1ccc(OCC#N)cc1 1438754340 IBEPWJRYZRRPHZ-UHFFFAOYSA-N 410.215 1.786 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C#N)CO)c2)cc1 1449521297 RNQKAHKSFYJZER-OAHLLOKOSA-N 403.460 1.809 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc[nH]n1 1452525527 ISPCFXXZKPKVAX-CMPLNLGQSA-N 406.361 1.310 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1457219523 LSCXRNMSFFOSHR-UHFFFAOYSA-N 413.503 1.161 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1C#N 1463994748 KQIMOOYGDDNTFC-UHFFFAOYSA-N 404.448 1.318 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1467530455 QCBJXKDEFHDJMI-FOIQADDNSA-N 407.467 1.884 30 10 HDEE CCOC(=O)[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCC1(F)F 1473684157 HQCRSMCECFMCPO-CVEARBPZSA-N 400.470 1.199 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 1473688968 OGEXGCQFISCWSN-SFHVURJKSA-N 406.552 1.811 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1475546083 GPDCNUDJLLCOSJ-LJQANCHMSA-N 408.520 1.993 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CC1 1476607601 NJYDFIGVBLFDRM-UHFFFAOYSA-N 422.327 1.588 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1477806175 ZEIQLSRFZNTNRN-LBPRGKRZSA-N 420.315 1.356 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1504525793 CHQKXAFRMXKEHE-BRWVUGGUSA-N 402.499 1.411 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC(C)C)C1 1507571038 ZFEYYCJXPDLYEE-GOSISDBHSA-N 403.527 1.834 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1507623640 UZMDIGKFQAACSJ-JTDSTZFVSA-N 412.556 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)CC 1507671202 FODJNEXXQOZKCM-UHFFFAOYSA-N 420.564 1.036 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCN(CC)CC1 1507708816 MVJIOVYPKLHRIL-IBGZPJMESA-N 411.554 1.452 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCN(C(C)C)CC2)CC1 1507725053 OGRMJUWXPNJXGR-UHFFFAOYSA-N 411.554 1.264 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2cn[nH]c2)CC1 1507731895 DUNOPZGTNCVVLT-UHFFFAOYSA-N 409.469 1.717 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1507759936 QMIWJGHFYLBTBX-QGZVFWFLSA-N 412.416 1.185 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)[C@H](C)CC 1507773398 RLYCOTFGECTVND-MBOZVWFJSA-N 407.584 1.903 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507874951 YFEHEMJXLPYYFL-XIRDDKMYSA-N 406.918 1.931 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1510283152 TZXYVDSBYGRRNP-RBSFLKMASA-N 414.441 1.565 30 10 HDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)cnn1C 1510499928 GTMPHNCTNQUHDV-UHFFFAOYSA-N 404.478 1.609 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1516220899 FWGUMOAMEHXBHP-JKIFEVAISA-N 413.425 1.083 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1517069210 AHTWCHNSIFYLMR-OAQYLSRUSA-N 412.494 1.319 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1519275888 GOQNPNREUJUZMR-OXJNMPFZSA-N 424.521 1.555 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1532321955 KWBGHIWHMTXHRM-CYBMUJFWSA-N 422.482 1.115 30 10 HDEE CC(C)C(=O)N(C)Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1536181043 ZXLZFRSPKRFNCL-PXNSSMCTSA-N 403.504 1.311 30 10 HDEE CCOC(=O)N1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1537711418 DWDHYZINOBVHFH-KGLIPLIRSA-N 404.854 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCc1ccco1 1538961565 BGIRFZCIDRSJDW-CQSZACIVSA-N 400.483 1.564 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539071745 DEZTZZRFUHSJPL-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1539093910 HURCTOCPZWLVIV-HNNXBMFYSA-N 401.536 1.905 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1539153521 FIVQHGHCYHUJJD-OPYAIIAOSA-N 405.543 1.499 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539224420 GQNUUNVQCIFJOQ-MRXNPFEDSA-N 420.560 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1CCN(C(=O)OC)CC1 1539408078 ZZBNHIOQOSWWRG-UHFFFAOYSA-N 412.494 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(O)(CC)CC)CC1 1539475602 JJGCMZPAKPLEQO-UHFFFAOYSA-N 410.522 1.857 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC2(CC1)COC(=O)N2 1539639573 ADWZMJXOYRMNCG-RDJZCZTQSA-N 405.499 1.875 30 10 HDEE C=CCCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1539974799 GMZXSZOVFMRCCQ-UHFFFAOYSA-N 402.543 1.859 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1540874441 GVLIZFNBEJKLMG-MRXNPFEDSA-N 412.494 1.169 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(=O)NC)C1 1540895923 BUQAQYXHVNDKOE-ULQDDVLXSA-N 421.542 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1540900891 LTORLTMJIDPGPK-WBVHZDCISA-N 405.524 1.879 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCOCC1 1541103789 GOAOMQXKCUDMER-MRXNPFEDSA-N 404.515 1.696 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)CC1 1542906136 SEJMZVZDHYKFTK-NPPFBWRTSA-N 401.555 1.013 30 10 HDEE C[C@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1543651620 HXZWWNJEKRTSKD-RDJZCZTQSA-N 415.519 1.867 30 10 HDEE C[C@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1545095963 FMOOBTJEFNPCEZ-QOIOWGMHSA-N 419.505 1.170 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@@H]2CCCOC2)c1 1556151686 RLVMZHXLLKGBRR-SJLPKXTDSA-N 407.488 1.572 30 10 HDEE N#C[C@]12CN(CC(=O)NCC3(c4ccc(F)cc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1560194270 SNKHTVPMMFBZGH-LAUBAEHRSA-N 419.522 1.624 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(c4ccccc4C#N)CC3)C2=O)cn1 1564123642 IAVVOGQEFKQWDB-GOSISDBHSA-N 407.478 1.365 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 1564846717 BIMSZJDWDOGKLI-INIZCTEOSA-N 407.312 1.587 30 10 HDEE C[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1(Br)Br 1565630031 PRTTWTLNRNCLQQ-VMPCVLLUSA-N 421.089 1.525 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1568701089 DZCPVFUIRXOGQW-QGZVFWFLSA-N 408.543 1.210 30 10 HDEE CC1(C)COCCN1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1584941121 OAANGFHTFDXLOP-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1585278779 HYBSISJLFBWRSI-UYAOXDASSA-N 403.498 1.487 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1587856878 TZFSQHMXKLRFMT-HNNXBMFYSA-N 415.523 1.902 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1587865157 KVJGIEUMELHGGL-LJQANCHMSA-N 411.506 1.632 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1587999075 PPMGPIBPKJNLCD-UHFFFAOYSA-N 409.515 1.926 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1588099755 XYHUIPIXAADJIS-UHFFFAOYSA-N 420.517 1.191 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1588105095 LBHZKGLLCLZPGS-SFHVURJKSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC=C 1588205790 VKMSAIGTEPQQBM-UHFFFAOYSA-N 407.499 1.880 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCN(CC)CC1 1588241775 VVICMTTZMDHTPH-OAQYLSRUSA-N 419.577 1.753 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1589528653 HNCYVKSWJIXJTC-GJYPPUQNSA-N 413.526 1.752 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1594732250 AQDZZGKJAASKTJ-INIZCTEOSA-N 423.583 1.887 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCOCC2)C1 1594803587 YOLCULZAMLDJSV-UHFFFAOYSA-N 402.499 1.657 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1594813419 SGKOTLCZUUNYQN-QGZVFWFLSA-N 403.527 1.870 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1nncn1C 1594992139 BAPPGEQWBUVRCC-UHFFFAOYSA-N 421.553 1.442 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1595405775 XTTBVCSDVAHNSY-HNNXBMFYSA-N 402.524 1.390 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OCCN(C)C)c1 1598195625 BYVMIFOHBPBSLS-KRWDZBQOSA-N 404.511 1.945 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1611315637 ZEHLLMCNCNIHRD-YCRPNKLZSA-N 406.494 1.733 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1612462540 BHMOQHRRJROUSO-HXUWFJFHSA-N 423.456 1.766 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCS1 1612916830 FWNKABWGDMKUEL-ZDUSSCGKSA-N 406.537 1.308 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)c2nccnc2c1 1616345896 CVMWZXBKGHCWNV-ICFOKQHNSA-N 416.235 1.649 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1617375442 BSQPYJCFXULNBI-UHFFFAOYSA-N 422.580 2.000 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1 1618295871 KRZVCNJODLEFLA-CYBMUJFWSA-N 401.448 1.653 30 10 HDEE C#CCn1cc(CNC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 1618800292 FBSCMFGWBPACTR-INIZCTEOSA-N 403.483 1.038 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619537029 FAQBQPCWDVUPQZ-SFTDATJTSA-N 410.522 1.832 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN(C(C)=O)C1 1619967952 LMAKSNJHNNFDAH-JZXOWHBKSA-N 406.531 1.856 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N2CCOCC2)CC1 1620082577 FSDXEUTXIDVQTP-BZSNNMDCSA-N 418.542 1.605 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1620346978 LEQBBCGVZAOALW-HDMKZQKVSA-N 411.503 1.439 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)o1 1620351378 XSHBAQHAQUBIDN-AWEZNQCLSA-N 400.464 1.433 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)S1(=O)=O 1623649699 CFKVGTXVGMGZNT-RRFJBIMHSA-N 401.529 1.998 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1624243207 IXURLZSIFZXXLJ-OAHLLOKOSA-N 403.483 1.711 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2nnc3n2CCCCC3)s1 1624957395 ZUWGMJWLWXJYFW-UHFFFAOYSA-N 423.564 1.731 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1625177879 XFNMYQQOXSBMPI-DLBZAZTESA-N 403.454 1.255 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2CCN(CC(F)F)CC2)c1 1625482790 CNBGWEQQAMQCNE-UHFFFAOYSA-N 403.426 1.830 30 10 HDEE C=CCN(Cc1ccc(Cl)s1)C(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1628284300 IKPMMAWNPBLVTQ-BZUAXINKSA-N 408.911 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCCN(O)C1=O 1628547414 CAPHFVTTZQLFGL-DLBZAZTESA-N 414.462 1.889 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C)Oc1ccccc1Cl)c1cc[nH]n1 1628913257 KRMVGQIXMOADQS-LBPRGKRZSA-N 408.842 1.931 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCc2nc(C)nn2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631036548 YNFPURYKUYQDGI-MRXNPFEDSA-N 416.526 1.946 30 10 HDEE COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(C(=O)CC#N)CC1 1631231619 QLYJGFHMGANLAF-UHFFFAOYSA-N 414.491 1.261 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1nc(Br)c2ccccn12 1631463067 DMMPIYJMEVLTQN-UHFFFAOYSA-N 406.284 1.785 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1632250687 WCUKEZKQJGFTSM-DLBZAZTESA-N 421.542 1.147 30 10 HDEE N#C[C@H]1CN(C(=O)c2c[nH]nc2I)CCN1Cc1ccccc1 1633446112 KSNXDEKHODRYJE-ZDUSSCGKSA-N 421.242 1.864 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1634389934 UUSXZQDXBIGDTQ-SFTDATJTSA-N 416.522 1.642 30 10 HDEE Cc1nnc(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1C 1634400557 WAHIZTXPXJDARZ-UHFFFAOYSA-N 403.284 1.553 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@]23COCCN2C(=O)OC3)CC1 1634460854 PXNGDJBCQFESMH-ALLBUHFWSA-N 415.450 1.164 30 10 HDEE Cc1c(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nnn1-c1cnn(C)c1 1634564670 GENRIHWFWUZURT-GOSISDBHSA-N 424.896 1.985 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1635629352 JZXGMJIOJXMDED-NRFANRHFSA-N 413.283 1.108 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1)C(=O)OC 1637693001 CGMUFIKZHYDFNE-LJQANCHMSA-N 411.458 1.889 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCO)cc2OC)s1 1639830322 DNJROCCXPXHZOU-UHFFFAOYSA-N 410.517 1.937 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1639885290 YETONBUGAYNHAT-GOEBONIOSA-N 414.243 1.618 30 10 HDEE Cn1ncc(I)c1C(=O)N1CCc2c(sc(N)c2C#N)C1 1639992974 LEQOBDREZMEMPI-UHFFFAOYSA-N 413.244 1.739 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(F)cc(Br)c3N)C2)c(=O)nc1O 1640636333 BWOFOBSMRIIGFB-UHFFFAOYSA-N 408.187 1.001 30 10 HDEE Cc1ccc(C(=O)N(Cc2cnn(C)c2)CC(C)C)cc1S(=O)(=O)NCC#N 1642241902 PUJMHRKHOSDVHT-UHFFFAOYSA-N 403.508 1.829 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1 1643372299 FKOLXGJKHXVGND-UHFFFAOYSA-N 407.511 1.639 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccccc2C(F)(F)F)CC1 1643372463 MSWUPDNMVBRGLH-FPLPWBNLSA-N 401.410 1.330 30 10 HDEE C#CC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1643563211 VUWBXGLUOTUZDZ-ROUUACIJSA-N 419.547 1.770 30 10 HDEE N#C[C@@]12CN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1644637432 YEXPCBVAWVKTAG-BBRMVZONSA-N 401.410 1.904 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccnn1-c1ccc(F)cc1)c1cc[nH]n1 1649028807 DOYVAVUUOZNCRV-UHFFFAOYSA-N 400.370 1.657 30 10 HDEE C[C@@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1649562385 CURLXPXGMATYFV-UTKZUKDTSA-N 415.542 1.251 30 10 HDEE Cn1c(N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(C#N)c(=O)n(C)c1=O 1652097920 CYFOKODARDAPNJ-NWANDNLSSA-N 417.510 1.792 30 10 HDEE C#CC1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)CC1 1654002032 OPVIWPPOSNKZAQ-UHFFFAOYSA-N 403.460 1.332 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](C)[C@H]3C(F)(F)F)CC2)o1 1654335138 MXFKSTLDNLQIKD-NHYWBVRUSA-N 401.389 1.155 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCO[C@@H](CC(N)=O)C1)CCCC2 1654418852 PIAJMOFSWOGSDS-KRWDZBQOSA-N 421.501 1.742 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1654508472 LLGUFHKWYSVOPK-GOSISDBHSA-N 415.918 1.704 30 10 HDEE CN(CCC#N)C(=O)CCN1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1654550173 RGRPLFSBQUTWJN-DLBZAZTESA-N 403.527 1.929 30 10 HDEE COc1cc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)ccc1O 1660447398 KSOAUZPFWWGQQO-SCLBCKFNSA-N 405.501 1.894 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1663080813 IEIHNANVNGBRKI-VIFPVBQESA-N 409.277 1.899 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)CC1 1666721675 QLSVOGMPMOYTBG-UHFFFAOYSA-N 401.435 1.526 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 1681913701 FHPQFZXEANMFGI-SJLPKXTDSA-N 424.954 1.771 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(N(C)C)CCOCC2)c1 1689868860 SLRFBRHBSHTWHU-UHFFFAOYSA-N 410.522 1.754 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1689988481 PWUCHHPXTLKFMT-INIZCTEOSA-N 400.508 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@@H]1C 1690009716 HNJIYGYDEFSVSP-KRWDZBQOSA-N 407.474 1.467 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1690019596 MVBRFPYBEUWAHY-AVRDEDQJSA-N 405.458 1.342 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1690071043 MOLGTZCHRHUMLA-INIZCTEOSA-N 407.469 1.494 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C[C@H]2c2ccccc2)CC1 1690110196 BTCQYZYDJZHDIO-PMACEKPBSA-N 406.534 1.975 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1690256803 WSSJBXDIMXISTI-HOTGVXAUSA-N 421.571 1.750 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1690300614 GSZRXGIXMBWITC-QUCCMNQESA-N 418.586 1.996 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1690328917 QLIXKDHGOOCGHW-IUODEOHRSA-N 405.977 1.974 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690667020 OBNQBPURIFMNJR-IAGOWNOFSA-N 412.469 1.634 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)[C@@H](C)C1 1690840069 DLJWDSQWMZNKLW-NYHFZMIOSA-N 421.505 1.352 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1CCC(=O)N1 1692505969 VFXQNOVMFKHIRE-QGZVFWFLSA-N 421.505 1.736 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1694995919 LQFKKGPTXAEXSS-QHRXKSQHSA-N 412.491 1.019 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1705479481 JBWUTFOMAVRGTL-CQSZACIVSA-N 413.507 1.342 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccco1 1705486225 ZJSMKHJZHGNYTO-QVKFZJNVSA-N 418.461 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1705486648 JBGXMGGQPHDNMV-LLVKDONJSA-N 409.368 1.810 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1705490303 HQDZECYBSCCCRT-LBPRGKRZSA-N 407.434 1.006 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1705550392 YBAJILDNBWLHIO-ZDUSSCGKSA-N 412.475 1.098 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](CC)OC)CC1 1705637253 OQLUKHQWPSRVCJ-SFHVURJKSA-N 411.506 1.897 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC2)CC1 1705640130 GFIURHKRCPGJFY-UHFFFAOYSA-N 414.504 1.998 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705640734 CMNVPFKTBHLRCV-KRWDZBQOSA-N 402.449 1.443 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1705667186 JRDHIUOSTXWCFW-JYJNAYRXSA-N 408.524 1.368 30 10 HDEE C=C(C)Cn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705721796 ZTZYUCRIRQNYLY-ILXRZTDVSA-N 411.528 1.289 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705754885 HKLREUMQTBEFKN-KRWDZBQOSA-N 424.977 1.915 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705806193 YOFGOKLPQQLLJD-KFWWJZLASA-N 410.496 1.651 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1708190975 OAJVCHAUFIANIZ-MYDZZUQKSA-N 407.478 1.959 30 10 HDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CC1 1711551518 GSQZKUVTVSATCK-ROUUACIJSA-N 415.519 1.865 30 10 HDEE COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1712328780 BKOWJKPPQOQLEJ-FQEVSTJZSA-N 401.515 1.667 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1722292659 AHNCJGIJYPUUHD-HKUYNNGSSA-N 415.563 1.770 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722330296 QUDIZVNLVXCPEB-GOSISDBHSA-N 412.519 1.748 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1722343048 FNKLSOPPAHXNQO-UHFFFAOYSA-N 400.302 1.540 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1722353279 URFOKSJRFABXMX-GOSISDBHSA-N 424.530 1.678 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCCC1 1722358110 DQNORWDXEJUYFK-HKUYNNGSSA-N 403.527 1.864 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722370523 CGCOWESWKQYDGS-CABCVRRESA-N 414.478 1.282 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(N3CCCC3)nc2)CC1 1722447972 SCLXMZHTUZGRJH-UHFFFAOYSA-N 421.549 1.850 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722462659 QDNQWZQDIHWYKZ-GOSISDBHSA-N 405.568 1.719 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1722554768 HOYMQRIFNYSGKY-CYBMUJFWSA-N 405.952 1.846 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1722631326 KHUXDUQSSSCKRR-NSHDSACASA-N 418.445 1.973 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)(CC)C1 1722691420 QCRAEWPFIKHGBS-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnnn2C)C1 1722713068 AUWXLNMWTCDFRT-KRWDZBQOSA-N 410.438 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@@H](C)[C@@H]1C 1722724748 FAHAPBHMIABMFR-KBPBESRZSA-N 415.585 1.347 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1722861078 BHFZGAMLAYEYCF-LLVKDONJSA-N 424.387 1.200 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1726539937 FZHSKMUXRBZYDB-GJJHYRHESA-N 421.567 1.861 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C 1726666719 PFHSZMNQJQRXNO-BBRMVZONSA-N 416.432 1.908 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1740557710 MZIOLBOJMPWYCR-KUHUBIRLSA-N 403.508 1.533 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCSCCCO)CC1 1740697796 GVEFDKRQFXYVBW-UHFFFAOYSA-N 400.552 1.135 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)CC(=O)N1CCOCC1 1740763736 PKEADGBTTIBWCV-FXAWDEMLSA-N 403.527 1.507 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1 1740764844 KIQLERZRMUWROL-QRVBRYPASA-N 405.543 1.879 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)C1 1740981767 XBPHLQIEYDTZCX-LSDHHAIUSA-N 404.515 1.173 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@H]1CCOC1 1740992758 NCXNPBAFTLYOCG-HNNXBMFYSA-N 411.553 1.460 30 10 HDEE CC(C)(C)c1csc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1741156623 DPIIMVXVNVJCNW-CHWSQXEVSA-N 415.523 1.760 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@@H]1C 1746445818 DWPZVUGAHJVUPS-INIZCTEOSA-N 416.551 1.782 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1748302842 DHZWORQOYYCCHJ-GOSISDBHSA-N 422.489 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1748665493 ROWYAFQCAWBCBP-GJZGRUSLSA-N 403.556 1.646 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COc2ccccc2O1 1748766412 PEZKYPUCPLDVEG-OAHLLOKOSA-N 404.430 1.835 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1748992921 KJDCGTZPWYUGQO-UHFFFAOYSA-N 422.577 1.853 30 10 HDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1749424852 PXIFBTSJMQAOSP-OAHLLOKOSA-N 421.505 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN(CC)CC)C1 1749663859 SDBRRXZSQPIAHT-MRXNPFEDSA-N 400.531 1.149 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749672100 QEQAZXPOHOJQKP-LJQANCHMSA-N 424.549 1.975 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1749684137 RBJQSHXWAJAPNA-QAPCUYQASA-N 424.505 1.509 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1751941351 QCJODACEICUOPG-UHOSZYNNSA-N 414.535 1.612 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1760095397 NWKJYZURFQPQTP-INIZCTEOSA-N 400.527 1.811 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760152862 AZQVHQZHVCUJNL-INIZCTEOSA-N 402.499 1.557 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1760154191 BFQPGOWPVUUVMK-WUJZJPHMSA-N 407.540 1.546 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCN(CC)CC1 1760177634 UVUOZTPRIUVEHH-UHFFFAOYSA-N 401.584 1.731 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760186284 LSZOPXOROPDOGJ-LUKYLMHMSA-N 410.515 1.547 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1760190235 OOMXTKWATLCJFE-CQSZACIVSA-N 402.467 1.139 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1760190725 XZOXDIOETGTELK-OAHLLOKOSA-N 402.524 1.798 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1ccc(C(N)=O)nc1 1760246045 RAWRKWUZILQHQV-UHFFFAOYSA-N 404.474 1.882 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCOC1 1760252476 GCXMKUQDGPYZKE-MRXNPFEDSA-N 417.535 1.782 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCc2ccccc2)CC1 1760259349 AIELGEFZVQBJEI-IBGZPJMESA-N 408.506 1.201 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1760274821 NRUKJXGZFFBYEH-KRWDZBQOSA-N 424.567 1.754 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760283993 FDEIBUZGSJOLTI-UHFFFAOYSA-N 410.547 1.737 30 10 HDEE C#CCSCCn1c(N(C)Cc2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1760286195 FBBHKQXCQSDCLM-IBGZPJMESA-N 404.540 1.667 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1760322496 TYNLPXZSVAAKGL-YLJYHZDGSA-N 405.543 1.753 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCCOC)C1 1760366351 XIQIRZMQTWJXNG-KGLIPLIRSA-N 421.951 1.273 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1)C1CC1 1760471348 SXGPPMKICDUWDP-CABCVRRESA-N 419.555 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760520111 CPWRDNWYNGKUBP-JSGCOSHPSA-N 410.400 1.798 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760556150 VXDJHTBSZRPWEZ-IAGOWNOFSA-N 421.567 1.784 30 10 HDEE CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1762516486 IZPMODFALDGZMJ-IAGOWNOFSA-N 407.515 1.938 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCn2ccnc2C1 1769845108 HIEXVZYWCSHCRX-QZTJIDSGSA-N 413.526 1.998 30 10 HDEE Cc1ccc(C)c(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1852791619 APJCJSDKKLVZCF-QGZVFWFLSA-N 404.474 1.667 30 10 HDEE CN1CCC(C)(C(=NOCCF)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1853526350 BJKCMTIGYRGZJI-UHFFFAOYSA-N 412.487 1.491 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C4CC5(CC5)C4)C3=O)CC2)CC1 1853678557 OAXULQXPINZUAZ-IBGZPJMESA-N 412.534 1.778 30 10 HDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 1854086357 NKRXQMMFOBLZIK-WMZOPIPTSA-N 403.504 1.444 30 10 HDEE CC[C@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320009 AOMIVEFPGOINCM-RDJZCZTQSA-N 418.519 1.038 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccn2)C(=O)C12CCCCC2 1854415768 MPFGRLZTEPSUIE-CVEARBPZSA-N 416.503 1.412 30 10 HDEE C=CCCC(=O)O[C@H]1CON(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 1854570725 YORPIBJTTPUCRB-MRXNPFEDSA-N 408.476 1.800 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1 1854774745 SIRFTOMUTURCJC-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)C3CC4(CCOCC4)C3)C(=O)C2)C1 1854935666 RWSAFDOJLGOKJQ-HKUYNNGSSA-N 402.539 1.631 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2noc3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855188898 CLBAMUZPRZWELK-CQSZACIVSA-N 406.442 1.981 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccccc2-n2cnnn2)CCN1Cc1ccc(C#N)cc1 1855578360 WZKMXANZYYDZGT-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C(=O)C1 1856408124 MZWPWVUEAPCISE-HUUCEWRRSA-N 408.499 1.721 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)c4ncccn4)C3)CC2)cc1 1856619667 KCYVNFQHWVRQDA-QGZVFWFLSA-N 405.458 1.880 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(Cc3ncon3)c3ccccc32)CC1=O 1856652380 VVVKNWBMGQILBE-GJZGRUSLSA-N 409.446 1.620 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCCc4cncc(OC)c43)CC2=O)CC1=O 1856854666 KJMVDOODFKVTNM-NVXWUHKLSA-N 412.490 1.252 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn3ccccc23)C1)[C@H]1CCN(C)C1=O 1857076762 OMXVKSAMUIIHPD-LPHOPBHVSA-N 409.490 1.432 30 10 HDEE Cn1nc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1C1CC1 1857107565 AIAMEQZADTUXLZ-KRWDZBQOSA-N 406.446 1.068 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccno4)C3)CC2)CC1 1857127232 JVZJSOLYNZFHCT-INIZCTEOSA-N 413.478 1.137 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857270160 JRHDHBAFXAYCNU-GOEBONIOSA-N 400.479 1.261 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857305608 IAQOYDNFKHJAOV-KRWDZBQOSA-N 407.467 1.353 30 10 HDEE Cc1cc(C(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1F 1867172817 JOWPNDVYAUSMDD-SFHVURJKSA-N 407.405 1.921 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 1877496378 QSYZPCOFZYYREA-YWXWOHLWSA-N 406.530 1.088 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 2054404356 UUQMQSRKIKLESM-QGZVFWFLSA-N 406.508 1.858 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C)[C@H](C#N)C2)C1 2124736957 NFOUQJCNZZDBQN-LQWHRVPQSA-N 400.479 1.469 30 10 HDEE COCCNS(=O)(=O)N(C)Cc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157041735 NSKGWSFYXHFZRA-UHFFFAOYSA-N 404.363 1.268 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174789743 UTBQJAGDHAPVJG-CIICLBFASA-N 420.557 1.574 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN([C@@H](C)C#N)CC2)C1 2181148011 POHBIHUPTJXJCW-LQBOVUBWSA-N 414.506 1.859 30 10 HDEE CCOC(=O)NS(=O)(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186630103 PURSYCJQHMZQSN-SNVBAGLBSA-N 404.319 1.689 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@]1(C)COCCN(C(=O)OC(C)(C)C)C1 2199844860 WFDOGVPTANBJMZ-QAPCUYQASA-N 403.545 1.975 30 10 HDEE CC(C)(CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243403187 SYRRHLMBHLBKJM-UHFFFAOYSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822696 IAKFHXBDRZOWTC-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258174314 XPULIPNIGLAZDM-IRXDYDNUSA-N 408.476 1.477 30 10 HDEE C#CCN(C(=O)[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2281292312 RYUQNQLUELHJSL-KSSFIOAISA-N 402.488 1.232 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CCS(=O)(=O)N3)c2Cl)OC1(C)C 2281932246 JQVOTDAKNBNDOE-VIFPVBQESA-N 420.749 1.122 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3[C@@H]4CS(=O)(=O)C[C@@H]34)c2Cl)OC1(C)C 2281944158 ORWWWTPWIZFJRB-RKDXNWHRSA-N 417.745 1.474 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282147084 IYAODBDKJWLDQP-RYZVSIALSA-N 400.375 1.965 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282307356 AQMNQFZZETZRMM-JTQLQIEISA-N 422.765 1.633 30 10 HDEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282318404 FKFMLPKFBRTWDS-NWDGAFQWSA-N 403.331 1.048 30 10 HDEE C[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282344890 MSVNPFQCFOQQKL-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE C[C@H]1CC[C@H](O)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282491550 LTOWWHUHGQRBIV-JSGCOSHPSA-N 401.359 1.722 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCN[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282504755 TYILUGUWAREVNZ-ZWNOBZJWSA-N 400.375 1.693 30 10 HDEE CO[C@@]1(C)CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282508375 VSNMJYVDGQFRRN-KRWDZBQOSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CC(F)(CN)C2)OC1(C)C 2282508642 ZEFZCNCQACXTIS-UHFFFAOYSA-N 404.338 1.296 30 10 HDEE CO[C@H]1CC[C@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837628 FTZOUEUHTGXYIZ-OLZOCXBDSA-N 402.347 1.381 30 10 HDEE C[C@@H]1CNCC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848980 VDFIKBJUUFVLTP-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)[C@@H]1N 2282855207 AVQSSRSTXIOZNU-LALPHHSUSA-N 400.375 1.794 30 10 HDEE C[C@@H]1CNC[C@@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869819 ISUUEHFAXLFHSS-CHWSQXEVSA-N 400.375 1.559 30 10 HDEE CC1CC(CO)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282869979 KXHMVPCGEILLJI-UHFFFAOYSA-N 401.359 1.734 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CN 2282876312 BEXXGSWSGZHDLH-SJCJKPOMSA-N 400.375 1.653 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1C[C@H]1C(=O)O 2284404097 WHJOUVMHXULSGN-ZMLRMANQSA-N 401.315 1.435 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1C[C@H]1C(=O)O 2284406087 UCAWUXAJFYSKEC-GARJFASQSA-N 401.315 1.435 30 10 HDEE N#Cc1cc2c([nH]c1=NC[C@@H]1CN(C(=O)OCc3ccccc3)CCO1)CCOC2 2294816584 URCFHWVHICJIBY-LJQANCHMSA-N 408.458 1.897 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2309774732 YNTQFCUHMLXOSK-KSZLIROESA-N 409.508 1.785 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)CC1=O 2327842481 HJGDRYJSYZDGNH-CYBMUJFWSA-N 416.507 1.558 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(C)ccc1O 2330798515 HKHXWCBMRCGSNY-UHFFFAOYSA-N 405.480 1.856 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365199603 PVXYGZXRUFJWEX-KVMGVCFTSA-N 400.541 1.195 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@@H]2C1 2365208483 SGSLCKYBXUSUDA-CAOSSQGBSA-N 400.541 1.555 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCC(NC(=O)OC(C)(C)C)CC1 2365213242 VWXNWLUPWGHLGU-HVEKOLDVSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2367798347 QGPIURXYPXGENP-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806457 KSBHXKPTOHVCCP-CLCXKQKWSA-N 400.541 1.483 30 10 HDEE Cc1scc(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369536970 WOEHKGAGZKRJEQ-PWSUYJOCSA-N 401.359 1.907 30 10 HDEE C#CCOCCONC(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370312127 JIRUXJWMIJJJDK-CABCVRRESA-N 402.428 1.932 30 10 HDEE CCn1c(N2CCN(C)CC2)c(/C=C2\SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 6419383 UGTJVELFUKBMFD-GDNBJRDFSA-N 417.560 1.631 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 11242462 ZYIXIYXVNXXKSS-FQEVSTJZSA-N 419.503 1.439 30 10 HDEE CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 24679099 XCZYMTLRSLLSAU-UHFFFAOYSA-N 418.450 1.728 30 10 HDEE COc1cc(C(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)c([N+](=O)[O-])cc1OC 96351107 BMXBJTVQGABQRC-UHFFFAOYSA-N 424.413 1.923 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 320472302 MNLJXOXSGVSZSL-MRVPVSSYSA-N 411.217 1.205 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCO1 410137342 MUKXQSCYYSOFIP-WMLDXEAASA-N 424.910 1.557 30 10 HDEE COc1ccncc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 432127256 DNIIYYHNINFRNK-UHFFFAOYSA-N 415.475 1.178 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 437511057 AIKNJLCTBVNWLY-IRXDYDNUSA-N 410.540 1.525 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(C)(C)Oc1ccc(C#N)cc1 439892704 IDKJDGHZQWRSOE-VQHPVUNQSA-N 400.431 1.667 30 10 HDEE CN(C)c1ncn(-c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)n1 441768034 MMPIMKJGKZHTPX-UHFFFAOYSA-N 417.477 1.954 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncc(-c2ccccc2)cn1 461342082 GXLDBOYIEGVGHR-HNNXBMFYSA-N 421.482 1.998 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 488819718 FCRWUWCDPIYSNG-LBPRGKRZSA-N 411.480 1.987 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 490047822 KKNWBIJTXNZERS-HNNXBMFYSA-N 421.500 1.589 30 10 HDEE CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)F 498877188 ZEEGNTGIWQZNDI-ZFWWWQNUSA-N 414.478 1.413 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 508823059 BEFJRWVGTZCBIR-HZPDHXFCSA-N 413.544 1.048 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508879740 HIWDGTLMVHFAQG-ZBFHGGJFSA-N 415.523 1.875 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513379741 XITHGCCLJCZBRS-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513404052 ZYZSLZONYLZBNU-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE CC(C)NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 524656253 ZSQDOKHAPMQPPL-UHFFFAOYSA-N 406.508 1.086 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCCn3ccnn3)nnc12 544339019 IFLAJIVVUZFDDE-UHFFFAOYSA-N 424.490 1.120 30 10 HDEE N#Cc1cc(NC(=O)C(=O)NCCOc2ncccc2F)ccc1Br 550947650 HOVDGINYEPFCGU-UHFFFAOYSA-N 407.199 1.989 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(C2)OCc2ccccc23)c1 555085825 AVYSXBRAXNMDLO-OAQYLSRUSA-N 411.483 1.885 30 10 HDEE CN1C(=O)C[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 566884059 ARZVFTXZAXSSHC-DOTOQJQBSA-N 408.842 1.996 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 588901168 NYCRHNZWKNGSRN-ROUUACIJSA-N 411.483 1.897 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCc3ccc(C#N)cc3F)CC2)cn1 610166323 RCFCVRALAVEDPJ-UHFFFAOYSA-N 420.470 1.083 30 10 HDEE COC(=O)c1cccc(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c1C#N 615456140 CVCGNMRVCICROU-UHFFFAOYSA-N 414.487 1.314 30 10 HDEE COc1ccc(N2CCN(c3c([N+](=O)[O-])cc(C(=O)NO)cc3[N+](=O)[O-])CC2)cc1 725342201 GCLQXNLNFRZNHO-UHFFFAOYSA-N 417.378 1.957 30 10 HDEE C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N(C)CCC#N 729309789 HYSQAOSPLAECSG-HNNXBMFYSA-N 407.492 1.391 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 731213728 PTXVHYPYKQZOKR-ICSRJNTNSA-N 404.532 1.871 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1c1ncnc2sccc12 732152393 ALCVCEBIIONALX-MIKWNVPKSA-N 412.475 1.303 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)n1nnc(-c2ccccc2)n1 732153160 GCPPLJBKRVZNKJ-KAKMCVKYSA-N 409.450 1.180 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C)cc1 734917217 HPEMBRMMFPDQGZ-DENIHFKCSA-N 421.453 1.946 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)[C@H]1CCS(=O)(=O)C1 742573406 NHFPMDKFSUPCML-CABCVRRESA-N 418.544 1.557 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 743835218 OZJUVWGCYDWXND-GORDUTHDSA-N 405.458 1.926 30 10 HDEE COc1ccc(CNC(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1C#N 746753895 IKJXXXNAPWGTLD-UHFFFAOYSA-N 408.505 1.748 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 747501221 YUEBPUHVKGSOEU-MJGOQNOKSA-N 400.479 1.947 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1 751515613 OEFSFAGRYILGMJ-UHFFFAOYSA-N 418.427 1.619 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 756910971 IZDLSLCJPXBPDF-UHFFFAOYSA-N 414.531 1.269 30 10 HDEE COC(=O)c1nc(Cl)ccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 763380276 BBVJJVQLSHZHET-UHFFFAOYSA-N 418.822 1.775 30 10 HDEE COc1cc(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1C 765253541 UKXOPYRTBKRTBD-QNGOZBTKSA-N 406.468 1.886 30 10 HDEE C[C@H]1C(=NNc2ccc(S(=O)(=O)NC3CC3)cn2)CC(=O)N1C(=O)OC(C)(C)C 766432811 BTTJNHGLHOQCRR-NSHDSACASA-N 423.495 1.846 30 10 HDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cncc4ccccc34)c2=O)CC1 772903866 BRCCOYKXDQXGKI-UHFFFAOYSA-N 401.495 1.751 30 10 HDEE C#CCN(C(=O)NCc1ccccc1OCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 774165247 LHLVEEPRPCVLSX-IBGZPJMESA-N 421.563 1.739 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@@H]2CCC(C)(C)O2)C1=O 777467535 MTBMQKVSAYWQRT-LSDHHAIUSA-N 418.519 1.811 30 10 HDEE C[C@](O)(CN1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 777538021 BAOWAZAMWMEZFK-FQEVSTJZSA-N 400.504 1.386 30 10 HDEE CC(=O)[C@@H](C)CCCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 783219368 GFUVMOIUOUWTMH-AWEZNQCLSA-N 404.467 1.832 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)c1 791155933 UHEHSEHNSSBHSE-IBGZPJMESA-N 414.483 1.518 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)cc1 793114054 XREMRKOEUIPMIP-MRXNPFEDSA-N 404.469 1.465 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)C1 793152291 GWXZORLZHYYYHB-AVYPCKFXSA-N 408.499 1.725 30 10 HDEE COCC[C@H](COC)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 793981429 IGZNTXNCUZURPP-GDBMZVCRSA-N 411.524 1.308 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CCN(CC)C[C@@H]32)ccc1F 818033474 IBPZKUOFQGZQJH-DLBZAZTESA-N 411.499 1.225 30 10 HDEE C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 823286883 ARRGHGUQDPRONK-OLZOCXBDSA-N 401.444 1.628 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 858059259 LMYXWSXENMTADY-RDJZCZTQSA-N 414.487 1.608 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915522124 QGBJCIIVXNTQQE-LLVKDONJSA-N 411.252 1.799 30 10 HDEE CC(C)CN(C(=O)COC(=O)c1ccccc1OCC#N)[C@@H]1CCS(=O)(=O)C1 920413819 ISKLMXGLEUEUKJ-OAHLLOKOSA-N 408.476 1.417 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2ccccc2C#N)CC1 1125623347 SGTUYGVAEMVOCH-UHFFFAOYSA-N 400.479 1.302 30 10 HDEE C#CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCS(=O)(=O)C1 1125884352 SNNPDGNTUAHABB-GFCCVEGCSA-N 411.277 1.348 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1152468187 UJJCOCNXGJOTFS-SJKOYZFVSA-N 405.417 1.963 30 10 HDEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2cccc(C#CCO)c2)c1 1153959852 UNKKVSNPYQKFFR-UHFFFAOYSA-N 401.488 1.123 30 10 HDEE C=CC[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1154006975 JMFZZSTZLRHUOQ-HUUCEWRRSA-N 411.499 1.374 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)N(C(=O)OCc2ccccc2)C1 1160873530 RADBYVMPPPKVPJ-XUVXKRRUSA-N 414.506 1.764 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ncccn3)CCOCC2)c1 1178630649 BNFJMISWNSHFKV-UHFFFAOYSA-N 402.476 1.377 30 10 HDEE CCCC(=O)N1CCC[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1184273807 XEVARTFMUNDGSG-OAHLLOKOSA-N 401.463 1.929 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Nc2ccc(OC)c(C#N)c2)CC1 1208408427 BKKQWKKWVUNOMX-UHFFFAOYSA-N 409.464 1.541 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 1233853437 QCADLJBACJUTLV-XQHKEYJVSA-N 406.405 1.558 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN4CCSC[C@H]34)CC2)c1C#N 1255385684 KOKILQRSFHSXHF-HZPDHXFCSA-N 406.581 1.735 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1286303453 COJCPIDFONOKFU-XUWVNRHRSA-N 416.526 1.643 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCc2nc(C)no2)CC1 1286481858 JJVYLAYMJDBAEX-UHFFFAOYSA-N 406.494 1.343 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286494783 PTWJFJCLWUIAJV-RZQQEMMASA-N 421.567 1.555 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1286507610 CACSYUYHJHRESP-UHFFFAOYSA-N 420.539 1.045 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286633002 CBGFBWGLLDTCHO-LJQANCHMSA-N 417.602 1.846 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2)CC1 1286785133 FVEARZHJTHSXBN-UHFFFAOYSA-N 403.490 1.969 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286788373 VKOPKQNDJQWMKY-UTKZUKDTSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cnccn1 1286789234 BGUCDBGQNSEJCW-UHFFFAOYSA-N 407.478 1.894 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1286793931 QBCROHZGHDBSSH-IBGZPJMESA-N 409.556 1.564 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286831182 VZHJYQIXIVFDMX-UHFFFAOYSA-N 406.556 1.248 30 10 HDEE C[C@@H]1COCCN1CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1291309882 OKEMEVMBSCUOLK-WBVHZDCISA-N 402.524 1.380 30 10 HDEE N#C[C@@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(OC(F)(F)F)cc1 1294250644 ZCNXQGSUZIYWEF-GFCCVEGCSA-N 400.338 1.622 30 10 HDEE CCN(CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1295375085 YWZOBXWPMYMWTE-GJZGRUSLSA-N 415.498 1.465 30 10 HDEE COc1ccc(C(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)NC(C)(C)C 1297364614 BXEZCXIIRJIICM-UHFFFAOYSA-N 402.476 1.969 30 10 HDEE C#CC[C@H](NC(=O)c1cc(OC)c(OC)cc1I)C(=O)OC 1299179340 POTLQRPDRIJKGT-NSHDSACASA-N 417.199 1.603 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1299363655 GWDIVRGCPSJAFI-KRWDZBQOSA-N 405.462 1.906 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300372412 GOIODUQCHGCIIB-QGZVFWFLSA-N 402.499 1.385 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2conc2COC)CC1 1300695659 FDFJATUMQNWQNC-UHFFFAOYSA-N 407.478 1.586 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@@H]2OC)CC1 1300710942 QQBFRPHABFKAJP-FYQPLNBISA-N 417.554 1.572 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300871857 DDCUEFOFVVONNV-UGUYLWEFSA-N 419.482 1.512 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1301475524 VCJSOFGVQNYBAZ-AZUAARDMSA-N 413.522 1.878 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1301510594 YZAORHHGSPMZTA-INIZCTEOSA-N 400.527 1.862 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1C 1301594002 ZZSYREGPYXUSNK-AWEZNQCLSA-N 423.564 1.859 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C(=O)NCC12CCOCC2 1303507577 YQFIYQNWGIDZSO-STQMWFEESA-N 401.891 1.434 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)CCOCC1 1307541961 MLMQGMRXATUPQE-LJQANCHMSA-N 411.506 1.926 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCc3nccn3C2)CCOC1 1314084690 NZDKVBDPHOBATC-CSODHUTKSA-N 413.526 1.985 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CC#N 1314541301 AQRJMBCEYLVQML-HOTGVXAUSA-N 412.560 1.582 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1314783200 NXNZIXGRBMPNTH-ZPHPHTNESA-N 413.457 1.984 30 10 HDEE COC[C@H](Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1315810114 ZCBMWDYFQRSTRB-IPELMVKDSA-N 411.478 1.422 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1358903539 AUNQSJVMXSKTTM-CSODHUTKSA-N 403.527 1.993 30 10 HDEE C#CCCCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1358917674 XZRXRXVRNNTASU-OAQYLSRUSA-N 403.527 1.839 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1359007857 YXQSMPPJJMNMMX-INIZCTEOSA-N 421.505 1.774 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)C2CC2)CC1 1359044954 SFGSEXWJFDJMIM-QZTJIDSGSA-N 401.511 1.173 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCC2(CC1)OCCO2 1359047993 ATHFSSNNVOBUCP-UHFFFAOYSA-N 421.567 1.905 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)C1 1359320977 YJYZCCZNDAGKNJ-STQMWFEESA-N 403.512 1.473 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCSC[C@@H]1C(F)(F)F 1440047675 POCBCICGLKNRJS-GFCCVEGCSA-N 407.439 1.622 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CC(O)(CC#N)C3)nn2)CC1 1447926626 WRZHXPXUHRFOKG-AWEZNQCLSA-N 404.471 1.341 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C(=O)OC 1448494752 KXBQKUPIGKZRPU-LJQANCHMSA-N 422.437 1.957 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1454934717 GTHWAYRBNYLAMN-UHFFFAOYSA-N 417.462 1.284 30 10 HDEE C#CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@H]1CCS(=O)(=O)C1 1456088082 SYRWEERDVMSOKZ-ZDUSSCGKSA-N 424.272 1.818 30 10 HDEE C#CCN1CCC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 1458615538 RPCGYALMQYTNEU-UHFFFAOYSA-N 408.480 1.125 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1460836483 NJJARZHCSSHWOK-CVEARBPZSA-N 422.526 1.336 30 10 HDEE C=CCCC[C@@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1 1466778671 JSFSSQDKWQRQNV-QGZVFWFLSA-N 403.508 1.778 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(Br)cc(C(=O)NCCC#N)c1=O 1467579645 HAYRJYJXMRGWDT-UHFFFAOYSA-N 413.272 1.779 30 10 HDEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1469901339 QSSPINZDFNQYNW-LJQANCHMSA-N 424.505 1.543 30 10 HDEE CN(C)Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1C(F)(F)F 1471805277 SYJLFAPIESFUTQ-UHFFFAOYSA-N 409.368 1.930 30 10 HDEE N#Cc1c(N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)ccc([N+](=O)[O-])c1N 1472896937 HCVHCWPXWDGEHT-TZMCWYRMSA-N 404.370 1.995 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1478521229 ULJKSSHFOUNMAY-KBPBESRZSA-N 422.448 1.153 30 10 HDEE CN1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@H](CNC(=O)OC(C)(C)C)C1 1479160409 YTMVCUOVBOBEME-RBUKOAKNSA-N 413.522 1.876 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1479364409 IFFUGBPYKRDLCR-UHFFFAOYSA-N 401.370 1.786 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1503402709 GCZCWLNEUOJHHZ-OAHLLOKOSA-N 405.890 1.300 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCS(C)(=O)=O 1504885922 YAIZMCQRLNLGRK-UHFFFAOYSA-N 412.903 1.405 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)CC=C)CC1 1507743109 ZJKWLNPZZMHHCS-UHFFFAOYSA-N 421.567 1.043 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507757392 TXQJMCONFNCDOV-QGZVFWFLSA-N 407.584 1.871 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1508079797 DHCKFMUUGWYEAO-MRXNPFEDSA-N 407.482 1.285 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1508422181 HVRYNVDVMJRKEV-HOCLYGCPSA-N 422.468 1.814 30 10 HDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1517825258 CWKAENPVUPTATJ-MSOLQXFVSA-N 415.519 1.865 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1519162051 BZYUSPKRXGFUFB-INIZCTEOSA-N 418.523 1.531 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1520702472 XDKOQDDMFJOFPP-SFHVURJKSA-N 420.311 1.480 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)s1 1528252358 FLMJOGFATLTOMC-WDEREUQCSA-N 410.970 1.767 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)c1 1536590798 LBLVWYFFLCTDAQ-MRXNPFEDSA-N 408.462 1.677 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)COc1ccc(C#N)c(Br)c1 1537509852 VTUADBOMFROACR-KRWDZBQOSA-N 421.251 1.644 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOCC1 1539633242 XJYLMHFTCBUHJD-OTWHNJEPSA-N 405.543 1.532 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1539723079 XCPXXDDKCINDLW-UHFFFAOYSA-N 405.499 1.496 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CC1 1539828892 QQQBXGPVFMBJOB-INIZCTEOSA-N 424.571 1.447 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1540033495 JWZYTHVEFRCUSE-UHFFFAOYSA-N 413.526 1.720 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540868167 USOBJAIOSSDIEN-CABCVRRESA-N 401.398 1.501 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)n1 1543017000 SPGJLICPMYNXSF-LJQANCHMSA-N 418.505 1.926 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCC1 1552810727 FSYAOEVVPGQNMN-KRWDZBQOSA-N 420.583 1.795 30 10 HDEE CSC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555864952 QQRSCEBZQDTQPV-HZPDHXFCSA-N 407.540 1.813 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1556189078 FBIXFHKEQPOKEG-OAHLLOKOSA-N 407.341 1.943 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1557240253 FHZFLHAWVUWALW-JKJHPVACSA-N 420.388 1.475 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 1557318897 YJOPHKWBWJFACR-RTBURBONSA-N 404.532 1.713 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)OC 1561512006 KJEXHVNPAQCKAY-JTQLQIEISA-N 413.677 1.520 30 10 HDEE C[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 1564199135 BDOWLASZLBBFDB-HNAYVOBHSA-N 421.505 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc(C)c(C(=O)OCC)s2)n1 1564235191 ODPUFXMKWNWZCX-UHFFFAOYSA-N 419.507 1.816 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1)C1CCOCC1 1565105729 LGTVKQFPEWPPRR-GOSISDBHSA-N 414.506 1.389 30 10 HDEE C#CCCN(CCOC)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1565417412 HAVWCZUZILWPQH-INIZCTEOSA-N 417.510 1.955 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(=O)OC 1570218877 LOBOEQMRJPRFLP-INIZCTEOSA-N 406.485 1.521 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1)C(=O)OC 1570221837 XYYXNFBFAWVICZ-HXUWFJFHSA-N 408.454 1.849 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1583184497 LAFVBHVVSLOGIG-ACWOFJMJSA-N 405.520 1.968 30 10 HDEE CS(=O)(=O)NCc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)o1 1584871584 AKXYGUSIEXOZNS-UHFFFAOYSA-N 403.460 1.636 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1586159569 YHUPVTNTNNHICH-LJQANCHMSA-N 408.476 1.558 30 10 HDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)Nc1nc2n(c1C#N)CCOC2 1586254295 LTRKNSAMOFANMK-UHFFFAOYSA-N 419.388 1.482 30 10 HDEE CN1CCN(C2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)CC1 1587537698 FQWHJUTZCPVIMG-UHFFFAOYSA-N 421.339 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1587568387 PSVOABHHRBGJSZ-AVRDEDQJSA-N 417.554 1.641 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587869614 PGVHZOKRVGEAPC-UHFFFAOYSA-N 423.521 1.252 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1587894126 NVYVWPAYBRFRLB-YYWHXJBOSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1587946333 YIZNUQDRVJUKOZ-CZIZESTLSA-N 406.446 1.550 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588059059 IMOUBOSVAJSHDC-MRXNPFEDSA-N 409.556 1.018 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)c1ccccc1 1588082833 ALOQRWSYCZRYCH-OAHLLOKOSA-N 421.473 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1588619785 FUUDRMPARHDCPD-KDURUIRLSA-N 412.538 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1588638241 QGHCKGISZVEKDW-SJORKVTESA-N 411.510 1.398 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CC1 1594097160 MVDRMFROFOXDBZ-GOSISDBHSA-N 423.583 1.449 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1595251395 SFDLYDDBBDOAOE-OAHLLOKOSA-N 407.496 1.102 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595551558 RSTJLBAJAXUJFY-DLBZAZTESA-N 404.559 1.326 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOCC2)CCOC1 1596790531 NMZYFLUJJVEHKC-GHTZIAJQSA-N 420.558 1.637 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCC(=O)N(C)C)CCOC1 1596791384 QZIFEYLOEMEXFE-OXQOHEQNSA-N 406.531 1.783 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1 1607624373 JTJRAOBUQRFZTH-UHFFFAOYSA-N 407.492 1.337 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCCO3)n2CCCNS(C)(=O)=O)CC1 1611771813 BZZUKLSYWOCSPB-OAHLLOKOSA-N 410.544 1.589 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCOC1 1617779603 BNPZGGFGJRAQRN-WMZOPIPTSA-N 424.505 1.869 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2c(F)cccc2F)CCO1 1620354488 GMZHRWKZEGJWFJ-CQSZACIVSA-N 416.432 1.764 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1620638251 YBOBCCDJSOSFOD-SQNIBIBYSA-N 421.519 1.310 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1624427725 GFGUZJCVGGMILP-DYESRHJHSA-N 418.515 1.566 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)NC(=O)OC(C)(C)C 1624732228 XNDJNECUPQOJQM-STQMWFEESA-N 424.523 1.533 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2)[C@H]1CCS(=O)(=O)C1 1627119845 VEQORBIIBPRZFC-AWEZNQCLSA-N 405.476 1.698 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NS(C)(=O)=O)c1 1629195440 QIPZBWRACRCWHF-INIZCTEOSA-N 409.508 1.981 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)c1 1629297587 BSHCUEHCXRKOQX-CYBMUJFWSA-N 406.464 1.960 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1629731704 BMSJJBSILGODHB-QGZVFWFLSA-N 407.879 1.509 30 10 HDEE Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034139 HIFDZVZSZRIZGP-OAHLLOKOSA-N 418.295 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)C2(O)CCOCC2)s1 1630349451 GAIVWMGFNFPIGY-UHFFFAOYSA-N 416.565 1.439 30 10 HDEE Cc1nccn1-c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1630668136 IHBQQHYQYWQQJA-UHFFFAOYSA-N 413.434 1.942 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1 1630943328 VSCAGHDIIXLNRY-PMACEKPBSA-N 409.511 1.697 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(N)c1 1634588716 OSHHQJUHWCYXFR-SFHVURJKSA-N 412.471 1.075 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F 1635288601 PFSHGJLBMBCAPU-SNVBAGLBSA-N 403.304 1.944 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635421326 LZNRJMFXIAXFFQ-PKOBYXMFSA-N 423.521 1.853 30 10 HDEE N#CCCN1CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 1635906014 UOAIWBSFKWFCRQ-UHFFFAOYSA-N 420.516 1.926 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)nc1O 1637237792 LICVAVIDUDITEM-AOIWGVFYSA-N 407.474 1.237 30 10 HDEE C#C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 1637662933 KNZOFUADPRITHS-BBRMVZONSA-N 420.288 1.970 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CO1 1638798338 NTACBXOFGBAMPN-HNNXBMFYSA-N 402.455 1.336 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1638967574 BXXSXMJMWYATQR-GOSISDBHSA-N 419.279 1.397 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1639037540 WAWWGHGWKSGDRZ-UHFFFAOYSA-N 404.496 1.172 30 10 HDEE C#CC1(O)CN(C(=O)c2nnn(-c3cccc(Br)c3)c2C(F)(F)F)C1 1640069863 GQUFTWXIACMKBU-UHFFFAOYSA-N 415.169 1.869 30 10 HDEE CN1CCN(C)CC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1640947582 NWSLWKBXLSTXIL-UHFFFAOYSA-N 407.522 1.090 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)C(=O)OCC 1642684201 YPNJJAVWXDMSSH-WOSRLPQWSA-N 409.788 1.988 30 10 HDEE COc1cnc(C(C)(C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)nc1O 1646345881 ONWDGXZMGUAEIY-UHFFFAOYSA-N 409.450 1.706 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNc1nc2c(c(C#N)c1C#N)CCCCCC2 1651430197 SNNSBEKWQBFSNZ-UHFFFAOYSA-N 409.537 1.953 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](n3cc(C(=O)OC)nn3)C2)c1 1653180227 NKARZELJFVOAMO-INIZCTEOSA-N 410.434 1.031 30 10 HDEE COc1ccc([C@@H]2CCN(CC(=O)NCC#N)C[C@@H]2NC(=O)C(F)(F)F)cc1F 1654154266 BKUIDGKLYRQHNZ-JSGCOSHPSA-N 416.375 1.310 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1662029714 MMWGRFFBCRMIQY-HIFRSBDPSA-N 415.309 1.980 30 10 HDEE C#CCN(C(=O)N(C)[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1666111581 YGLXFQVNYUHQFJ-INIZCTEOSA-N 413.540 1.560 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OCC 1668531641 WASUZXOMNPPKGU-LLVKDONJSA-N 401.437 1.277 30 10 HDEE Cc1nc([C@H]2COCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)no1 1668544394 FKNPDKMTJHNYIJ-CYBMUJFWSA-N 413.253 1.774 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Br)ccc1C1=NCCO1 1674351887 WFMPTOOSMCFHKV-UHFFFAOYSA-N 416.297 1.948 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1681804639 JUSAMMJHDFALTL-WMZOPIPTSA-N 409.508 1.098 30 10 HDEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1CNC(=O)NCC(=O)NCC#N 1682372786 AREHGRJOSCRVMA-INIZCTEOSA-N 401.467 1.287 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 1682469394 NPWGYWHBWXLHSQ-QFIPXVFZSA-N 411.506 1.666 30 10 HDEE Cc1cc(CCNC(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)n1-c1ccccc1 1684444868 SQVLUCISDZIKTB-UHFFFAOYSA-N 420.473 1.770 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1689851897 XEYTUQZOJKNTRD-HOCLYGCPSA-N 402.524 1.147 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@@H]1C 1689950961 HYBPPPTUJGAHAE-YWZLYKJASA-N 402.520 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccncc1 1690009086 VVMTYLWMMXQVSM-UHFFFAOYSA-N 409.457 1.631 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1690059553 RZWHOXDQSXZTEQ-TZMCWYRMSA-N 410.569 1.916 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690169510 FIKLVRUOPNQYBP-SFHVURJKSA-N 405.549 1.655 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690297830 IBKYIHVFGOLTMB-FQEVSTJZSA-N 406.531 1.746 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccncc2)CCOC1 1692595633 PJOVMKBOFNJSQH-RXVVDRJESA-N 412.494 1.685 30 10 HDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1696496142 QEUPCZJXNFIGQF-SFHVURJKSA-N 418.523 1.366 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1697989404 YZZYYWHQWMWCBY-GOSISDBHSA-N 411.510 1.097 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1noc2c1CCCC2 1698172539 WVNAPOASEMIBIK-HUUCEWRRSA-N 416.482 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1705495799 VNKIMVKHVJMSOL-LSDHHAIUSA-N 423.564 1.487 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CCN1CCN(C(C)=O)CC1 1705630511 VUJNFIDPJKLQQB-UHFFFAOYSA-N 416.570 1.261 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2nncn2CC)CC1 1705641708 PVKIBSVAHKFKMP-UHFFFAOYSA-N 418.549 1.868 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1705650392 QRMUNXJEEGDOFI-QGZVFWFLSA-N 414.554 1.357 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705654400 HDSVGLSPCZZGMT-AWEZNQCLSA-N 414.491 1.887 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705736735 BALBONGRNXIFPD-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705754352 VYKFPVPZPDRMQJ-QGZVFWFLSA-N 422.961 1.669 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)[C@H](C)C1 1705987241 DIICUNOEUPQSCE-UZLBHIALSA-N 424.505 1.679 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCCCO 1706867629 RGWUPZHOWUSCMZ-HNNXBMFYSA-N 412.560 1.571 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCC2(O)CCOCC2)n1 1707813876 AEOROKYXLBXNBU-HNNXBMFYSA-N 401.515 1.667 30 10 HDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1711253835 ANUDPRIRJWJGRV-IBGZPJMESA-N 402.462 1.912 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1712320143 DZULWDJGBJFFPS-QVKFZJNVSA-N 412.494 1.271 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C1CC1 1712455375 VLUAPDQBKKKIFU-FQEVSTJZSA-N 416.482 1.533 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1722299572 IXNBZMYXNPXLJO-HOTGVXAUSA-N 402.520 1.770 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1722351109 HARQKXLOMGIYEP-GOSISDBHSA-N 417.535 1.346 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1722361105 KZSGPPHNZOZSJQ-INIZCTEOSA-N 422.470 1.480 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1722415595 CETYQFGPEGDZLM-INIZCTEOSA-N 414.514 1.986 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCO[C@@H]1C(C)C 1722418846 FQYRBUJISLHVLM-QZTJIDSGSA-N 405.543 1.954 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(OC)c2)CC1 1722429762 RUBVNZKVWNHZIO-UHFFFAOYSA-N 410.522 1.423 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2)CC1 1722437750 PVXGHRYSPIIYEK-KRWDZBQOSA-N 417.510 1.123 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@@H]2COCCO2)CC1 1722450134 YLGZRIXWJYBVAJ-GOSISDBHSA-N 401.511 1.002 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722462050 IBRKHKIHPDYGNU-UHFFFAOYSA-N 411.597 1.457 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(O)CC(OCC)C1 1722475536 DYUBHEJCIWEPNI-ZWVUXNTGSA-N 401.511 1.323 30 10 HDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2)c1ccccc1 1722538994 CMXJGEVGWDBVRU-SZMVWBNQSA-N 417.535 1.969 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)CC1 1722572770 AXJMZOZNUDIIGY-UHFFFAOYSA-N 412.494 1.826 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)C1 1722700670 PMGJZAVCQOFHRR-UHFFFAOYSA-N 409.494 1.434 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccon2)nnc1[C@]1(OC(C)C)CCOC1 1722703936 LSYXPSNLESIMKI-IBGZPJMESA-N 404.471 1.245 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(C)(=O)=O)C1 1722720353 BQDHQGUKQSKKSE-QGZVFWFLSA-N 423.514 1.339 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(C)=O)C1 1722749617 HATGTUVSFPQOAH-INIZCTEOSA-N 421.523 1.552 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1722867353 UUUTUTXDGUUMMP-NSHDSACASA-N 416.287 1.875 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1723772764 APNKPPABERXJRE-STGLLQLASA-N 406.450 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC(OCC)C1 1740656260 JIRJUHGXEZTEGV-XBMUEBEBSA-N 418.563 1.848 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740749674 BTBYWIRQDUUIGJ-JZXOWHBKSA-N 416.526 1.162 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740782235 ILVSSIRGEWDRII-MSOLQXFVSA-N 402.543 1.491 30 10 HDEE C=C1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740821878 UZPPGONUDOZVIT-UHFFFAOYSA-N 403.508 1.436 30 10 HDEE Cc1c(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1742063096 IVCKDKQVFBWNOB-ZPHPHTNESA-N 410.482 1.360 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1748671528 KBSREPGHEJAKIN-JKSUJKDBSA-N 421.567 1.429 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808958 OSBSOKXRZYOCCB-AEFFLSMTSA-N 418.519 1.898 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1748818101 VPVLWUYBXAVDBL-QGZVFWFLSA-N 417.535 1.699 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1748819147 LLRIRYAXSGBFSE-QGZVFWFLSA-N 420.510 1.671 30 10 HDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1748819725 SGPNKCYTARYKJY-CQSZACIVSA-N 424.473 1.420 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)CC1 1748991475 YCZMVIAHIMORLM-GOSISDBHSA-N 421.567 1.100 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1 1749055392 IWVORAZWJTVFEK-BWAGFHJFSA-N 417.554 1.643 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1749065211 XBLJQSCEIJRAOV-HRAATJIYSA-N 411.510 1.574 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1749135748 IEKPUQOXMGFZJK-HBFSDRIKSA-N 417.554 1.943 30 10 HDEE C=C(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1749207668 PXUVBQYRNMUEQI-LPHOPBHVSA-N 412.556 1.910 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749454159 CRPMPQCUSBSJHP-QGZVFWFLSA-N 411.510 1.797 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1749663635 LCWMJTOWHURMHI-UHFFFAOYSA-N 407.478 1.017 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752673895 RWCUSYHZQCNNDH-HJUNTIBCSA-N 416.482 1.317 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)c(F)c1 1760160438 DFFMWAHNNPGRLL-UHFFFAOYSA-N 412.469 1.461 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCCC1 1760209235 AWTXDMBXYRGRRE-UHFFFAOYSA-N 421.501 1.984 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NC2CCCCC2)CC1 1760260194 OAEDAXCJDJEIAD-UHFFFAOYSA-N 421.549 1.853 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC2(O)CCC2)CC1 1760268066 BKVTUBWLXAFOMN-UHFFFAOYSA-N 422.533 1.919 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1760322101 NZPNHKTVSKTEPO-KURKYZTESA-N 424.567 1.370 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2ccc(O)cc2C1 1760525975 ZDJWWNDAXQOXOG-UHFFFAOYSA-N 404.474 1.834 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)C1 1760542928 OMMIMXCREQBGOT-RCCFBDPRSA-N 402.543 1.885 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C1 1761129221 BLPDYHHYSQWCLZ-MSOLQXFVSA-N 417.558 1.609 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@H]2C)n1 1762407775 DBBOXUPYYLAXRR-FUHWJXTLSA-N 400.531 1.599 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1770108031 SHZQHQDEEGDUEI-LJQANCHMSA-N 412.494 1.585 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)OC 1770760770 FEHCVUOVNYMVJA-IPMKNSEASA-N 424.505 1.535 30 10 HDEE COCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1771026198 DFLMYFHZEPRZAC-UHFFFAOYSA-N 419.493 1.755 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849645267 ODQVOCNPVRNTFC-CQSZACIVSA-N 417.466 1.108 30 10 HDEE CN(C)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1850066707 IEAWNVVVTLSTOK-ZDUSSCGKSA-N 403.957 1.483 30 10 HDEE CC1CCN(C(=O)C2=NN(C(=O)CC#N)c3cc(Cl)ccc3S2(=O)=O)CC1 1851574681 JOWVNGOLJPMROJ-UHFFFAOYSA-N 408.867 1.946 30 10 HDEE Cc1cc(C)c2c(=NC(=O)CN3CCN(c4ccccc4C#N)CC3)[nH]n(C)c2n1 1852497031 KSUBPCFSOFXNEP-UHFFFAOYSA-N 403.490 1.639 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nc(-c3cnccn3)no2)cc1 1852595991 QZTVIVPBNIHIIK-SFHVURJKSA-N 422.445 1.695 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nc(-c3ncccn3)no2)cc1 1852831978 MJYIWLZHWSQEFE-GOSISDBHSA-N 422.445 1.695 30 10 HDEE C[C@@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1C(=O)c2ccccc2C1=O 1853076169 LZNLZMDFTBHNSA-VIFPVBQESA-N 417.365 1.542 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1853385583 PKHKOIOLUQNCRF-MRXNPFEDSA-N 411.911 1.930 30 10 HDEE CN1CCN(C(=O)CN(C)C(=O)CCON=C(N)c2ccc(C(C)(C)C)cc2)CC1 1853471202 BUGIWSOXXXSLBA-UHFFFAOYSA-N 417.554 1.244 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2ccc(OC)cc2)C1=O 1854131636 OMDFJHOMNQAFMQ-PMACEKPBSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2noc3ccc(C)cc23)C1=O)[C@@H]1CCN(C)C1=O 1854193229 HULYPEAXHPPUNT-MSOLQXFVSA-N 410.474 1.525 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CC(=O)c1ccc2c(c1)OCO2 1854243101 DCLFZROGUQEXLH-CYBMUJFWSA-N 406.398 1.238 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854286308 GBXCYGCEUXNEML-SFHVURJKSA-N 418.519 1.448 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(N(C)C)ccn2)CCN1CC(=O)c1ccc(C#N)cc1 1855120926 JYAXEMNTFIPXNC-HNNXBMFYSA-N 405.458 1.575 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855807244 RSIDJBDJEQHGRQ-KDOFPFPSSA-N 409.467 1.646 30 10 HDEE CC(C)(C)N1C[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)CC1=O 1856363259 XQEVCCFKIVNAMD-QGZVFWFLSA-N 412.490 1.255 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCCC2 1856863840 WGCIGZOIZWQVCN-UHFFFAOYSA-N 403.504 1.824 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857116483 IAVPVSSAFAWBFA-KRWDZBQOSA-N 411.849 1.814 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3cncn3)C2)CC1 1857212289 KJJVKEWERBVKAZ-MRXNPFEDSA-N 407.478 1.190 30 10 HDEE Cn1cc(CC(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)cn1 1857244294 OCRFELUYKMIMRO-KRWDZBQOSA-N 406.490 1.484 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccno3)C2)CC1 1857249711 WOVNYERQDWFEGV-INIZCTEOSA-N 409.446 1.721 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC4(CC3)CC(=O)N(C)C4)CC2=O)cc1C#N 1857252570 HKNSXLHQFSWXOU-KRWDZBQOSA-N 408.502 1.800 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnc3ccc(C)cn23)C1)[C@H]1CCN(C)C1=O 1857269170 KHCMFYCQVFYZGS-IRXDYDNUSA-N 409.490 1.350 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 1860994258 KEKZWMZEFXPLAX-AZUAARDMSA-N 409.486 1.391 30 10 HDEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873591804 RFWSZSCGHXSFQS-UHFFFAOYSA-N 415.494 1.727 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 1885923289 JVOBSSRRKYTFJD-UONOGXRCSA-N 401.504 1.848 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)CC1 1891126161 JHNFTQFPIDHYQE-INIZCTEOSA-N 411.487 1.864 30 10 HDEE C[C@H](O)CN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 2174783939 INANGSJOXCWMKY-LBPRGKRZSA-N 401.460 1.594 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2243406302 WLWRVNNVDXFZBN-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2243423999 JLTMNNPDHOSUPH-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243431477 JFTLLFCRLKGLLG-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE CN(CCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247857276 SVTAIQDYQLHMHI-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE Cc1c(C(=O)NCCONC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247909816 FOMNGDLWLNIDQE-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2248056502 RIEZKMMXVXLBTO-KRWDZBQOSA-N 408.311 1.780 30 10 HDEE CCC1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270540910 VBJBZWFCCNPXFJ-MRXNPFEDSA-N 423.491 1.712 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@](C)(O)[C@@H](O)C3)c2Cl)OC1(C)C 2281937138 WDVIFLYFXCZTPU-GTNSWQLSSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCS(=O)(=O)C(C)(C)C2)OC1(C)C 2282027173 MPDPRKWWIPBPGD-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315836 UACSFAIEHZHJMK-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE C[C@H]1SCCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335315 NXOCXYIFDJXXON-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H]2CCCO)OC1(C)C 2282338966 VCDPTRGSMSFRNE-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CCCN1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341449 SFRSWQSEHZGIHU-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CC1(C)CC(CO)(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282346383 NRFDWNOIUQFXKU-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE C[C@H]1CC[C@H](CO)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282353908 ZKAZNKSOWTURNK-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)C[C@H](CN)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282500105 VLQCJKAZQWJDDW-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CCOCCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502205 HTCKFCGGVLZQOA-UHFFFAOYSA-N 404.363 1.678 30 10 HDEE CO[C@]1(C)CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282508376 VSNMJYVDGQFRRN-QGZVFWFLSA-N 401.359 1.988 30 10 HDEE CNC(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282829423 DSCBIYMPVNYJSN-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CC[C@H]1COC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839998 KTSVWZREWBQVMY-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2282840709 PEEXTRYPTVKPNL-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282850297 NECXXGYQLQPSGV-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3C[P@@](C)(=O)C[C@H]3O)s2)OC1(C)C 2282857823 NHXSUSYOLZEAPN-UTDUZKHQSA-N 421.286 1.062 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284395168 IINWQUBKEMLSQW-NSHDSACASA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@H]3CCC(=O)O)c2)OC1(C)C 2284412347 BOGFJJIKPFBNQM-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2C[C@H](C(=O)O)C2)OC1(C)C 2284413836 BPJOLJTURZEYSC-XYPYZODXSA-N 401.315 1.436 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 2345084890 FSAWDADVBYKNJP-FXAWDEMLSA-N 422.503 1.527 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2C[C@@H]2CC(=O)O)OC1(C)C 2360939596 RNTNKBQXMKBNSC-MNOVXSKESA-N 401.315 1.436 30 10 HDEE COC1(C#C[C@H](N)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363607636 CSALGXGYCCYQIN-HOTGVXAUSA-N 400.541 1.604 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363922733 BEFIPGMKASRQBW-HUUCEWRRSA-N 413.565 1.679 30 10 HDEE CCc1csc(C#C[C@@H](O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363984362 BJFFJLUBEBVZDE-HUUCEWRRSA-N 414.549 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200937 CQJQFSANQGXXCA-KUHUBIRLSA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365203014 QVZRUASNMDNUKV-IQUTYRLHSA-N 402.557 1.442 30 10 HDEE COCCn1cc(C#C[C@@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cn1 2365963213 YJJCTPIPUGKDKD-IRLDBZIGSA-N 412.490 1.372 30 10 HDEE O=C(O)CO[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ncc(I)s1 2367574531 WATBPNHEVJSMPK-DOLQZWNJSA-N 405.213 1.786 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367796806 KBKKMDJLCIJURO-UGSOOPFHSA-N 401.481 1.436 30 10 HDEE O=C(O)CO[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ncc(I)s1 2368477032 WATBPNHEVJSMPK-UTINFBMNSA-N 405.213 1.786 30 10 HDEE C=CCn1c(=O)/c(=C\c2ccncc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 5524742 NEOCIRSLVAOLMW-LJUSINLQSA-N 404.499 1.360 30 10 HDEE CN(C)CCCNC(=S)N/N=C1\C2CN3CCN(C2)CC1(Cc1ccccc1)C3 20215520 NLIACMGLWULRGV-HIXSDJFHSA-N 414.623 1.248 30 10 HDEE O=C1/C(=N/n2c(=O)[nH][nH]c2=O)c2ccccc2N1Cc1c(Cl)cccc1Cl 59148727 LVJPBCHOMIKXCZ-HYARGMPZSA-N 404.213 1.971 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)C1=O 64835463 KVTLYBHHCVBWHD-UHFFFAOYSA-N 411.911 1.350 30 10 HDEE Cc1c2c(n(Cc3cccnc3)c1C)N=CN1N/C(=C3\C=c4ccccc4=CC3=O)N=C21 139150910 PGEWUIFAJCLCQT-BSYVCWPDSA-N 420.476 1.844 30 10 HDEE N#Cc1cccnc1N1CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 301096126 MWAXUISBAIEUHQ-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 426052240 RZKYDSCAJDTCED-STQMWFEESA-N 413.396 1.812 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 428368699 FRADBVZOBAHPSY-LBPRGKRZSA-N 404.414 1.765 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2C1=O 446335488 YNDCGZLLHMKJAS-DSIZOQBWSA-N 419.437 1.006 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 448375886 PNCSXYNUHFBXNB-QGZVFWFLSA-N 401.463 1.875 30 10 HDEE Cn1nnnc1-c1cccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 462294544 LEPTTXDULNXBPH-UHFFFAOYSA-N 424.486 1.981 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)NCc1cccc(N2CCCS2(=O)=O)c1 462681716 BOLISTFLFWICBV-UHFFFAOYSA-N 405.501 1.885 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 470394640 SJJGUHJZKXWJIO-MRXNPFEDSA-N 413.430 1.832 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)o1 471189135 UEDOGPRYMDJRFX-MRXNPFEDSA-N 400.500 1.972 30 10 HDEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 471941151 BZUIAKGBDDRRJQ-HNNXBMFYSA-N 417.281 1.929 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)N[C@H]3CCCN(CCO)C3=O)n2)c(Cl)c1 473774722 IHCIGXHMJBHCER-AWEZNQCLSA-N 402.842 1.502 30 10 HDEE COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)Cc1scnc1C 489497201 MHGJPPBANJOITQ-UHFFFAOYSA-N 418.523 1.417 30 10 HDEE N#Cc1ccc(CNC(=O)CS(=O)(=O)c2nncn2-c2cccc(Cl)c2)cc1 503613267 CUOIPHVJNUTTMH-UHFFFAOYSA-N 415.862 1.882 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508987910 QKJDMNODMKTSQE-UHFFFAOYSA-N 424.549 1.344 30 10 HDEE C[C@@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 517799316 ADQGWOGPWNBWRO-HNNXBMFYSA-N 416.478 1.993 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1 522287180 JCXFOFHBXAYWRO-UHFFFAOYSA-N 413.291 1.718 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)nc1 532394606 LMWNBNMLFZDUOO-UHFFFAOYSA-N 418.522 1.689 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 532454791 QEMLENNNJXUMAY-CYBMUJFWSA-N 401.444 1.328 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)cc1 534780202 HZGFQCVIQQAVCW-QGZVFWFLSA-N 412.471 1.498 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 535058963 PWHORDMZHNNUGP-SCAQPMJSSA-N 406.508 1.530 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C(C)C 537796226 VDCAWDSRXZTWAQ-UHFFFAOYSA-N 401.492 1.791 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 537894997 ROAXAOZDYFEQPP-UZLBHIALSA-N 404.511 1.401 30 10 HDEE CS(=O)(=O)N1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542963203 XFWMVRZCIOQDJL-UHFFFAOYSA-N 422.898 1.897 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 549255799 CAVPMSLCBHZQRU-INIZCTEOSA-N 413.544 1.240 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558457031 QLPXHGFUCXRMDP-UHFFFAOYSA-N 424.571 1.387 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 566355883 RNGSGDZKIUAOLT-AWEZNQCLSA-N 419.894 1.280 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 581338685 NDCOJUQMEYDVAB-CJNGLKHVSA-N 407.496 1.397 30 10 HDEE CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 585710022 XAXURHTZOWNPMS-UHFFFAOYSA-N 412.421 1.097 30 10 HDEE Cc1nn(-c2ccccc2)c(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1C#N 589296805 OYPRUYKHANCONO-UHFFFAOYSA-N 402.524 1.367 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cc(-c3ccccc3F)on2)c1 589504208 QIHHMBQLZHMQMT-UHFFFAOYSA-N 400.391 2.269 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 610349776 AAYZBSMIWVMQNL-GOSISDBHSA-N 408.510 1.624 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1CCN(CC#N)CC1 611243396 BRRLQHSLJHIFDM-UHFFFAOYSA-N 414.325 1.879 30 10 HDEE CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CC1 614947739 HMXVIXRQRBELSD-UHFFFAOYSA-N 423.448 1.621 30 10 HDEE N#Cc1ccsc1NC(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1 615456128 BNNYEMIXAGIOHM-UHFFFAOYSA-N 405.505 1.028 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)c1 679096102 QRBOVEYPJFJERD-SFHVURJKSA-N 400.456 1.975 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 680439845 PLYFBDLZAAINJH-CYBMUJFWSA-N 403.888 1.419 30 10 HDEE CC(C)(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNCC1 725412343 ZUWDCKKQMPDLIO-UHFFFAOYSA-N 408.373 1.877 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729332562 ZXISZZIIKKLLLZ-DOTOQJQBSA-N 404.488 1.087 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 729426130 MDNGWGCDPOVSMV-CABCVRRESA-N 423.560 1.628 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)c(F)c1 729885298 YSKXEUKYDHJIFR-UHFFFAOYSA-N 400.385 1.928 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(NC(=O)C2CCC2)c1 732444004 GKTFBSVMTSKAPP-ZZEZOPTASA-N 411.462 1.751 30 10 HDEE C=CC1CCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 732462305 KCGPAUJXGIWPBS-UHFFFAOYSA-N 408.304 1.519 30 10 HDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCN1C1CC1 732650134 GVQGMGRWGYCMKH-KRWDZBQOSA-N 420.510 1.425 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)NC(C)=O)cc1 734292813 GZUANXPRXFQWQX-SFHVURJKSA-N 415.471 1.948 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740183994 MWBZSZCVSVQZAD-SFHVURJKSA-N 402.428 1.603 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 746192804 AXYGIMYYZLPVQG-IAFNSTAXSA-N 406.483 1.666 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2CCC(C(N)=O)CC2)cc1 746815702 LNIKLAOKLPDIKY-QJOMJCCJSA-N 421.523 1.665 30 10 HDEE C#CCNC(=O)COC(=O)c1ccc(Br)cc1SCC(=O)NCC#C 747112769 RZDMXNAOOFVZGS-UHFFFAOYSA-N 423.288 1.197 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N(CC#N)c1ccccc1 750296463 DCCLOMDWJFBHAF-AWEZNQCLSA-N 419.434 1.592 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 753889533 GHAAICZAXDZKJS-UHFFFAOYSA-N 411.439 1.830 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)Cn2c(S)nc3ccccc3c2=O)cn1 764483753 GPHVZNCOCOWIPU-UHFFFAOYSA-N 403.427 1.776 30 10 HDEE Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 773249249 LVNDBSPELVPMEP-MRXNPFEDSA-N 414.416 1.503 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 774228056 LNPAJYJYMDEMLB-ZBFHGGJFSA-N 423.922 1.667 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 777343237 OYRFRVREMVMZEN-UHFFFAOYSA-N 417.491 1.211 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC[C@H]3CCCN(CC#N)C3)c2C1 783901232 WTLGBAIJCWDAFE-CQSZACIVSA-N 402.499 1.668 30 10 HDEE COC(=O)NCCc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)s1 788057122 HZRHDNKIPDAIEX-UHFFFAOYSA-N 409.489 1.876 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c1 788646363 FAOJDURJDKCBBU-INIZCTEOSA-N 414.462 1.734 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(CC)CC)CC1 800598833 ZKANIYRBHMLVKH-UHFFFAOYSA-N 422.551 1.475 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)(C)S(C)(=O)=O 802574456 BRFXXFHTQQZEMJ-UHFFFAOYSA-N 406.512 1.761 30 10 HDEE COc1c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)[nH]c2ccccc12 803818451 YWRKKULYPNQJEH-UHFFFAOYSA-N 423.429 1.850 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 806121511 FLIWXDNZGYKNRL-AWEZNQCLSA-N 424.445 1.712 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@@H](C(F)F)C1 808317745 ORHQJWNLLYQZNO-CYBMUJFWSA-N 402.423 1.828 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(C)nn2)no1 904810654 WYACQYMFMPIFGH-LBPRGKRZSA-N 401.452 1.691 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916775083 KEYZMSDCZDTERD-FQEVSTJZSA-N 424.482 1.733 30 10 HDEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 916930455 YBCLTQKSSFQXIU-YZGUTLMUSA-N 412.446 1.843 30 10 HDEE C#CCN(C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1125953170 AWOVWXQFDPEIQE-HNNXBMFYSA-N 419.453 1.902 30 10 HDEE C#CCSCC(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1127241695 NQSQHWFCXUQZFA-UHFFFAOYSA-N 422.488 1.600 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)c(F)c1 1130150046 WHMHCVURCHQKMD-HXUWFJFHSA-N 421.494 1.330 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 1130319489 JFASIJPYLVHOFD-IBGZPJMESA-N 414.483 1.820 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1136703376 NHLMQDQDGFCHHY-KGLIPLIRSA-N 424.947 1.684 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3cccc(F)n3)CC2)cc1S(=O)(=O)NCC#N 1141260332 PSYJIUSITBNSDI-UHFFFAOYSA-N 417.466 1.293 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CC[C@H]4CC[C@@H](C(N)=O)O4)CC3)n[nH]2)cc1 1146298912 OLQVMLWJPYFXEA-MJGOQNOKSA-N 422.489 1.410 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)C(=O)OC 1151610922 LOROGLFHRBXCNH-CQSZACIVSA-N 409.487 1.821 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(Cl)c2Cl)CC1 1152967850 SDXZIRGYOXSQIE-GFCCVEGCSA-N 420.318 1.373 30 10 HDEE COc1ccc([C@]2(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H](O)C2)cc1 1153867180 ZFRDUTGYWBIGOZ-VVKNUNBGSA-N 415.490 1.963 30 10 HDEE C[C@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167526967 IDLZMKAISLWPRO-KBXCAEBGSA-N 417.263 1.677 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OC 1177958669 LGDYVPKGRHEWSN-ZIAGYGMSSA-N 400.522 1.915 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190985588 AHWIASQAGDGDCC-STQMWFEESA-N 401.872 1.470 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1224763665 RIOSMEXWYMBYNF-CQSZACIVSA-N 403.545 1.922 30 10 HDEE C[C@H]1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1253205564 JYTZWQYJPVPETB-DOTOQJQBSA-N 406.508 1.532 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1255063057 RBAVGQCOYBKKMV-UZLBHIALSA-N 407.515 1.394 30 10 HDEE CCN(CC)CC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1256405201 QNAPVLMQBOFURL-IBGZPJMESA-N 424.505 1.860 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1282406875 ZQZNFNHFNJDWJX-NTHNXFDUSA-N 418.534 1.203 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1286302351 LNPVTRAAYMYWOV-INIZCTEOSA-N 407.478 1.511 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286311066 DLUUUZVFTPBKNQ-UHFFFAOYSA-N 424.571 1.080 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286382132 RLYOAGIRJBQJEA-VXPUYCOJSA-N 424.436 1.592 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1286450390 QZZRPABHBVTYDD-UHFFFAOYSA-N 420.315 1.519 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)cc(OC)c1 1286461564 UDWLZEKKAKIVSR-UHFFFAOYSA-N 403.458 1.698 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(C)(=O)=O)CC1 1286649082 SHUNDGBSDBCDMB-UHFFFAOYSA-N 409.537 1.471 30 10 HDEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286703295 INQFDWNPEXDBAO-IBGZPJMESA-N 422.533 1.567 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286786158 YVBUTDUTQGFIHD-OAQYLSRUSA-N 412.494 1.417 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1SC 1286786609 VHVGPNVFZWYGPO-OAHLLOKOSA-N 414.535 1.890 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286793508 GXJUNIMCTZROHF-HUUCEWRRSA-N 420.514 1.535 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286817101 PRFPVBSOVMSIBP-HZPDHXFCSA-N 405.524 1.945 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)n1 1290629576 TUSFDCJDKZPYPO-OALUTQOASA-N 403.462 1.387 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1290637597 TWMJGPBVIIMOSZ-UHFFFAOYSA-N 400.460 1.037 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)C2)n1Cc1ccc(C#N)o1 1291205855 OZDSFUZLRGVBST-NEPJUHHUSA-N 410.525 1.343 30 10 HDEE C=C(C)CCC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1293999361 AEAIFVCPWRCLMT-UHFFFAOYSA-N 401.529 1.436 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1294624404 ZAZNPMDLBOHEMF-UTCJRWHESA-N 408.373 1.838 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@H](O)Cc2ccccc2)s1 1295329189 RMKTXCSSHHIWPT-RHSMWYFYSA-N 408.545 1.863 30 10 HDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccnc(C#N)c1 1297365404 HHNJPIRRQMUEPT-RHSMWYFYSA-N 401.511 1.795 30 10 HDEE CCn1nnc(C)c1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1299930004 MUEJBLYRLWKQQY-UHFFFAOYSA-N 416.507 1.195 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1300330366 XGHWUTDTDDWYGF-CGTJXYLNSA-N 415.542 1.829 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300760846 IBVCKDNBROMIGZ-ZACQAIPSSA-N 403.552 1.786 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300764561 XXKPXRALXLJLIO-UHFFFAOYSA-N 413.613 1.703 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300972078 GRSMCGNTTVZUGW-JYJNAYRXSA-N 413.544 1.096 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1301290152 ZDZUWMSWTYRKSN-OAHLLOKOSA-N 410.478 1.713 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(c2nccs2)CC1 1301502184 CKMJWSIVTOXAJR-UHFFFAOYSA-N 403.556 1.952 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1308160933 FBSXFWSMXFNFDB-OCVGTWLNSA-N 409.474 1.871 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1315055956 GDTZFOBRXRVPEI-SFHVURJKSA-N 407.478 1.623 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1316328975 PJJWNSPHRMBVOA-GHTZIAJQSA-N 413.478 1.759 30 10 HDEE Cc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1NC(=O)CCN(C)C 1320414790 DVRKWLPKZRNVNM-QZQOTICOSA-N 413.478 1.740 30 10 HDEE C=CCCn1cc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)nn1 1354064048 SPVFARGAUIAVKE-UHFFFAOYSA-N 406.487 1.101 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1358887510 YMQLKZCSMWZMJQ-CYBMUJFWSA-N 410.434 1.487 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1358939729 DHOGKPZAJDNZLZ-QFBILLFUSA-N 410.540 1.355 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358956715 JVGJWIAAAMYUBY-NSHGMRRFSA-N 421.611 1.971 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962074 JUGDHNGVCZBLED-FGTMMUONSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)CC 1358980425 VAZMCFVASOGKJQ-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N(C)C 1359073433 PEJUHTPXNXZVLV-LJQANCHMSA-N 419.555 1.023 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)N(C)C)CC1 1359177241 GDPJEHXRLPLBQP-UHFFFAOYSA-N 404.540 1.942 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@@H]1C 1359276042 PIRVASNDDCOCTO-IIBYNOLFSA-N 417.510 1.784 30 10 HDEE C[C@@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)S(=O)(=O)C1CCOCC1 1437241380 FWDGXWXLBDODJQ-INIZCTEOSA-N 419.547 1.621 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1455195309 XSYSNAZEZANBKS-KRWDZBQOSA-N 421.475 1.125 30 10 HDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@@H]1COC[C@H]1O 1463115457 WUMCRTRBEPIUAV-IIAWOOMASA-N 416.293 1.297 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1c(Br)cccc1OC)C(=O)OC 1463595992 ARVBQQMQLZWRHA-CYBMUJFWSA-N 422.297 1.621 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1464261484 WQROTXPQBTURRG-ZDUSSCGKSA-N 410.920 1.847 30 10 HDEE C[C@@H]1CN(CCCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1465683836 GXAICDFHJFYJHZ-HUUCEWRRSA-N 411.499 1.742 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc2C1=O 1468182889 NIPHOYSQZFLTPH-CQSZACIVSA-N 417.462 1.426 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1S(=O)(=O)NCC#N 1468198543 FHARAAGXIVRHAD-OAHLLOKOSA-N 420.535 1.551 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468664271 ZCISEWBWIGFIDK-MOPGFXCFSA-N 412.538 1.727 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 1469289640 IARMAANQFNNRLV-IBGZPJMESA-N 400.523 1.675 30 10 HDEE C[C@@H](NC(=O)NCCOCCS(N)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1469757061 SQBZXUCNSHEPJL-OAHLLOKOSA-N 416.503 1.891 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 1473689434 VSRRTRPOEZDERL-ZWKOTPCHSA-N 406.552 1.891 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1493919687 DFWPBRXAVGZBMB-CABCVRRESA-N 402.524 1.943 30 10 HDEE CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1503205069 BJWZZGFDQXRYQF-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)C1 1503861683 ADTMUVLCBOATFO-OXJNMPFZSA-N 413.503 1.684 30 10 HDEE COC[C@@H](F)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504605227 OTKKKVCAGDGHAB-HIFRSBDPSA-N 400.462 1.517 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1507642784 MRLSCZIDYNCKFB-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1507679187 SBFLQFRVFXMOBA-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507682827 WVTZUJVWGFNOFM-UHFFFAOYSA-N 413.503 1.216 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)CC1 1507723626 OTTANTBWOLXNJK-UHFFFAOYSA-N 422.537 1.283 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507805958 RFNKWBWDWZOIFU-RXVVDRJESA-N 416.570 1.566 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508086676 OCCRQVCQAAQUJQ-NRFANRHFSA-N 412.469 1.027 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508088631 HJGRVFUPRHABRP-CABCVRRESA-N 417.470 1.091 30 10 HDEE C#CCCCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1509542732 SAEWEPSNYBLJPX-LHQQFIGISA-N 400.519 1.823 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1509954133 UFKXVAWVCXDQMC-YPMHNXCESA-N 416.873 1.720 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H](C)O1 1512409131 ONBDBUGQELPTIM-CHWSQXEVSA-N 404.421 1.812 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1519295965 FPFFKBWRHXBUFG-NHWLHPCLSA-N 418.498 1.517 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCC1 1519452028 ZPGFMYJBNDFXET-ULQDDVLXSA-N 405.499 1.426 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCOC(F)F)CCN1C1CC1 1521129350 KZSYAWKUPHEQDM-CQSZACIVSA-N 404.425 1.541 30 10 HDEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(Cl)c1 1538770563 WVYJGKKAKROOQL-UHFFFAOYSA-N 417.874 1.694 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1c(O)nc2ccccc21 1539026729 YYTDGSRFZJXCOQ-HNNXBMFYSA-N 407.478 1.614 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539116978 OVKAXXCNHRHIHS-HZPDHXFCSA-N 419.493 1.019 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(C)C)cs1 1539414239 SJQFIHLMHWKWHA-AWEZNQCLSA-N 402.524 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(C(=O)NC)c2)CC1 1539461968 ABRDBMJNVNIUBH-HXUWFJFHSA-N 422.533 1.487 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOCC(F)F)CC1 1539829498 ZGCXVXRYFVFZST-ZDUSSCGKSA-N 407.487 1.717 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1540941227 NUTSISGGBMECIA-OAHLLOKOSA-N 406.450 1.553 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCSC2)CCOC1 1541723849 JKKLEOWSOZEPSS-UXHICEINSA-N 421.567 1.927 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/c3ccc(C=O)cc3)CC2)cc1 1543121022 FOMVMWACCOPRQT-JXMROGBWSA-N 409.467 1.917 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 1545529139 FMPGCOWTJGGSLL-IRXDYDNUSA-N 420.506 1.975 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545605063 GOQWFHDOSOUZSZ-GJAATXDJSA-N 402.499 1.525 30 10 HDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1548216578 HAZUVIBLWZYCNB-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE CO[C@]1(C(F)(F)F)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1560103557 SSKZJDJZHLEIDS-MRXNPFEDSA-N 401.389 1.157 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@]3(CO)CCC[C@@H]23)CC1 1560153428 DXWBQCUTTAKSMF-TUNNFDKTSA-N 400.498 1.771 30 10 HDEE COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)N(C)[C@@H](C)CC#N)c1 1561583375 HQCRBCHUKYJZPO-XHDPSFHLSA-N 420.329 1.902 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1562230021 IIRURIPNLMXJOI-NMWGTECJSA-N 417.535 1.719 30 10 HDEE C[C@@]1(C#N)CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1566756637 FIVHXYWEYDGAKM-SFHVURJKSA-N 411.549 1.907 30 10 HDEE COC(OC)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1568074183 GIAHIJHUAVSNAU-KSSFIOAISA-N 417.487 1.701 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](N2CCNC2=O)C1 1584075335 PIUKDCSFHBFWAN-HOTGVXAUSA-N 407.515 1.980 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1585132246 NQMKMVKJAUFOET-WFXMLNOXSA-N 415.515 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1588149478 UJLSQJSVJLWWCJ-MRXNPFEDSA-N 400.479 1.516 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1588265874 JKMMLCFFNSTXHD-WMLDXEAASA-N 423.514 1.875 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1588890926 IRSINXNAZYYUAC-CALCHBBNSA-N 402.543 1.052 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589070297 RXKAQZHFCKWRJL-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1593691180 UBEQCOVVRMTGQX-FHWLQOOXSA-N 416.526 1.989 30 10 HDEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594559783 QNNPQXOWMIARHR-IBGZPJMESA-N 422.555 1.411 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1595550840 ITXCLTZKYUBUDA-MAUKXSAKSA-N 415.469 1.801 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1 1595811927 HCMIXLWLQUUOJA-UHFFFAOYSA-N 420.564 1.901 30 10 HDEE C=CCn1cc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc3oc(O)nc3c2)nn1 1611584841 WOHXWPWWJPPZMN-GFCCVEGCSA-N 416.463 1.801 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614045198 HIKIVNRLQSGZIJ-HMDOMZECSA-N 422.489 1.945 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@@H]2CCCC23CCOCC3)c1=O 1614780775 CPIUYUMHOFLDKI-INIZCTEOSA-N 403.479 1.820 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1615888667 LFVKATQZKOJEGF-OALUTQOASA-N 403.575 1.938 30 10 HDEE COC(=O)[C@@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)c1ccc(C#N)cn1 1619904717 JZRKQWLZEQIVJT-GOSISDBHSA-N 403.460 1.582 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCN(C)C1 1619983933 TYGIEMISSMSZHK-UZLBHIALSA-N 406.531 1.199 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1619989369 FPQYUCIKPKMMIV-LPHOPBHVSA-N 410.494 1.166 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CCCOC1 1626242789 NUNQJIZVRCLZLS-FQEVSTJZSA-N 407.467 1.743 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1627137403 YJKBKEUIXBRGPT-SCLBCKFNSA-N 405.476 1.883 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1)c1cc[nH]n1 1627153968 DNUMHKVJHLXDKJ-SFHVURJKSA-N 404.467 1.501 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 1631744539 GXNBSPDSZIYOPB-IHRRRGAJSA-N 423.963 1.856 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1633340782 MVZBAQVUDCIUBG-ZWKOTPCHSA-N 423.558 1.096 30 10 HDEE CN(C)[C@@H]1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C12CCC2 1634106224 YFXWJEIBWQMBPW-OKZBNKHCSA-N 409.490 1.752 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634287824 GTPISYKQQUTITI-IAGOWNOFSA-N 408.495 1.864 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](CC#N)C(F)(F)F)c1 1635288192 IYRURCARAFGLSF-GFCCVEGCSA-N 413.805 1.839 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCO2)cc1 1636740271 AAADHGAQOCHEGJ-CQSZACIVSA-N 405.398 1.618 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1 1637652201 GFGDLOBGDDOCNL-HNNXBMFYSA-N 409.508 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)CC1 1638182493 SLDMSAUQAJCCGL-MRXNPFEDSA-N 402.499 1.631 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3ccc(C#N)c(Br)c3)CC2)cn1C 1639610298 DJQWQENEMQPFHX-UHFFFAOYSA-N 424.324 1.874 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1639989293 NYMMQJVHNAGQSG-NSHDSACASA-N 420.516 1.462 30 10 HDEE C#C[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C1CCOCC1 1641857532 CRNGTNCENQCMMZ-CQSZACIVSA-N 415.309 1.563 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c([N+](=O)[O-])c1 1641995834 NRAWJRORTHWOMB-UHFFFAOYSA-N 409.374 1.651 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 1642186034 DBQFECUQDYTWDX-UHFFFAOYSA-N 403.504 1.834 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C[C@H](O)CC3(C#N)CCOCC3)CCO2)cc1 1643948158 IHTWXEHXNXROQM-MJGOQNOKSA-N 408.520 1.535 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1644083703 KMPMNNJHGDHNLI-INIZCTEOSA-N 408.462 1.839 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cnc(I)c(O)c3)CC2)C1 1645737817 LSJYZGMHYWUFNM-UHFFFAOYSA-N 414.199 1.870 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)c2)cc1 1646010578 BBCMDAMLTNQAHM-IBGZPJMESA-N 414.483 1.759 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)nc2O)C1 1647882782 DNBDCLNXSZZJCZ-SNVBAGLBSA-N 401.448 1.910 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1648460075 IGPJFSFWBDUEIQ-QRWLVFNGSA-N 406.552 1.956 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1650742538 VCUWJMJAPATVAT-MRXNPFEDSA-N 401.463 1.215 30 10 HDEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C1CSC1 1654187578 QTLHLUCUBRRMEN-UHFFFAOYSA-N 401.941 1.579 30 10 HDEE C=CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1657497456 AXAOWBWZTIMEGX-HNNXBMFYSA-N 401.529 1.436 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)C3)c1 1661490658 PNUJGYWNNQBFFO-UHFFFAOYSA-N 411.483 1.789 30 10 HDEE C=CCC1(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1666905972 KOZIPUHLZBFWHS-UHFFFAOYSA-N 409.508 1.954 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3nccnn3)CC2)cc1 1667321964 KFYJBMPQAPZSAT-UHFFFAOYSA-N 417.495 1.032 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(Br)cc1 1674030748 KGNTZWHXDIALJB-COPLHBTASA-N 410.268 1.489 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1682362338 YINADGJYVWHNOV-QZTJIDSGSA-N 400.527 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1684862673 BSSCYYZWQQRRAY-UTKZUKDTSA-N 400.479 1.697 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1685052444 YHIATLJQNGZJSV-IRXDYDNUSA-N 409.527 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1689826588 QYXFCUYHIXXLFI-LSDHHAIUSA-N 417.535 1.720 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CC(F)(F)F)CC1 1689972468 QDHIUOOUKUEXTM-UHFFFAOYSA-N 412.460 1.744 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1690342612 QJHBJBUQSUFUFI-UHFFFAOYSA-N 406.874 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1690666683 CVAWYOPGAYNCBL-UHFFFAOYSA-N 400.458 1.491 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](C#N)C1 1691317671 BQPXXSUKPNIYLI-MRXNPFEDSA-N 403.508 1.887 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1696337222 PTNOSXNDFWLZOX-ZWKOTPCHSA-N 404.515 1.187 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1697001431 WEZPZUSJZJDMLY-GOSISDBHSA-N 412.494 1.585 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705523078 JYLICCBQOVGTBD-DLBZAZTESA-N 400.527 1.857 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705524535 NZKPEURZFOXFRM-CVEARBPZSA-N 424.571 1.187 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1705547596 JLHFSBJIUVUVQS-UHFFFAOYSA-N 423.477 1.575 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1705566846 RDAUZAVUFSWZRB-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705570997 UAKGTJTXQPTHON-QGZVFWFLSA-N 418.567 1.699 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1705698955 ASOVRTVDIPVTSO-TVFCKZIOSA-N 424.567 1.634 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1705701301 AHIDOGHPHDJMCB-WMZOPIPTSA-N 411.510 1.783 30 10 HDEE C=C(C)COCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1705740604 QJFGYCZYYNSQMD-NRFANRHFSA-N 418.542 1.983 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)CC1 1705769063 HVQPNZRKGCDFEM-OAHLLOKOSA-N 406.512 1.661 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706936196 MRHVOGGCBFMKSW-QAPCUYQASA-N 423.539 1.199 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)no1 1707295800 CVHGVWMXPMQBBO-KDOFPFPSSA-N 404.496 1.655 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1711384187 GHPFLOFXXQVWLO-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCOC1 1722426982 JAZJXFPWJBLGCB-CBGDNZLLSA-N 406.527 1.434 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1722532524 OOISOPKDXNXFOR-KRWDZBQOSA-N 414.514 1.330 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1722681771 SCHRZNVGCMGLBR-INIZCTEOSA-N 412.556 1.636 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1722706765 YFNQSAKXMAXJEV-WBVHZDCISA-N 410.478 1.154 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1722851379 NUIYWIKKVKSFEZ-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1723113698 BRXPBSQUAUGWKK-RTBURBONSA-N 411.510 1.426 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1723969750 OUCPWSZFIXFVFZ-FPDPHYFHSA-N 415.469 1.948 30 10 HDEE C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1723972197 HIRXUNCZQUFBQJ-NHCUHLMSSA-N 412.469 1.750 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1740533447 ROCPZRVCNDPWHH-OLZOCXBDSA-N 410.569 1.608 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1740540446 JSUNUUZUGANDEO-AWEZNQCLSA-N 423.564 1.683 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1740550561 IXJASUWXAGEBPH-AEFFLSMTSA-N 424.530 1.872 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1740608996 GEMMQFWBDYCZKH-NRFANRHFSA-N 413.526 1.309 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1740620476 SMCORKGVQRSGRV-UHFFFAOYSA-N 414.535 1.749 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(O)(CC)CC 1740650726 LFMDKZZAYBMJHH-UHFFFAOYSA-N 418.505 1.935 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1740671355 FRHSVBPJGXTUJS-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCC2)CC1 1740689568 BGQIPHIIDYYPJH-MRXNPFEDSA-N 408.572 1.224 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740720996 UGKCFBRVTWSKHD-IBGZPJMESA-N 407.547 1.807 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1740786425 CJJXAPVWQKLTTK-UHFFFAOYSA-N 414.514 1.126 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1740792203 VRYOFDJBOZDCLG-UHFFFAOYSA-N 413.526 1.766 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740792634 ZYJMWMMRZBVOGX-CABCVRRESA-N 408.528 1.586 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740873168 JNOYKJPDBKNRKQ-UHFFFAOYSA-N 414.558 1.635 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(CCO)Cc1ccccc1 1740959538 ZDALZBXFZRPAQJ-UHFFFAOYSA-N 406.490 1.950 30 10 HDEE CN(CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1747931411 FWSDEUGQWZZEAL-KBPBESRZSA-N 402.421 1.395 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748305835 KWPIRRDTHUZGMO-ZFDMEJTGSA-N 414.466 1.071 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1748756725 TUWPDJXFNWUNMM-IBGZPJMESA-N 423.565 1.714 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1749065945 DXZPILRPQHZTKG-DENIHFKCSA-N 414.554 1.676 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)CC1 1749286112 FSUPUIUPTPZRQA-IYJVBRSBSA-N 415.585 1.346 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)C1CC1 1749666504 MMPCXIBZFJKIRT-UHFFFAOYSA-N 421.505 1.966 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1750009165 SQYIEZXRHFFLFI-HZPDHXFCSA-N 403.487 1.130 30 10 HDEE COCCOC1(Cn2c(C3CCC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1750028581 XETIAXQMIUUXLV-QGZVFWFLSA-N 405.499 1.487 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1750528361 CHDPKRYYMILEAD-IIBYNOLFSA-N 412.469 1.947 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1751017356 FGCXQYXGCZKWTO-RBUKOAKNSA-N 408.478 1.239 30 10 HDEE CC1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1751291603 BFWUOHJWQYHWQX-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1760097560 HCJPWZSJKXVSGC-RRFJBIMHSA-N 405.524 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC=C 1760106892 IMPFJHQKPJMSMI-AWEZNQCLSA-N 402.476 1.733 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(CC)s1 1760145176 JIVNNGRKUOXGNV-ZDUSSCGKSA-N 410.569 1.957 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1760171487 MFFDAWNPTZAHFC-RBUKOAKNSA-N 408.506 1.372 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1760449989 BBYQJQKZSJVBFB-QGZVFWFLSA-N 406.531 1.616 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC(F)F 1760464906 RKNBALAAMQIUGF-UHFFFAOYSA-N 420.468 1.456 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1760489504 WBCLPFWIHVXMPK-UONOGXRCSA-N 417.626 1.915 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCOCC2)o1 1761760303 GQJDFZQIBQBEEQ-MRXNPFEDSA-N 400.483 1.686 30 10 HDEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1762355285 WKHFRZWHYJEVQU-MRXNPFEDSA-N 408.466 1.639 30 10 HDEE Cc1cc(C)n(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)n1 1762470540 CMHVXSYNVPOZNZ-HXUWFJFHSA-N 414.489 1.860 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)NC2CC2)CCOC1 1765856627 ANWIBIFKEGGGMX-NRFANRHFSA-N 416.526 1.729 30 10 HDEE CCO[C@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOC)CCOC1 1765887560 ZOPLGBVDIZHQBC-HXUWFJFHSA-N 414.466 1.112 30 10 HDEE CCOCc1nnc(N2CCC(CC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767835922 IEGNBBJBDIYVOY-VHEBQXMUSA-N 402.499 1.967 30 10 HDEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1769050959 BZBADPPAJDIZNF-CQSZACIVSA-N 418.383 1.761 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCn2cc(CO)nn2)cc1 1769974511 HUGKNSUGFHOABF-HNNXBMFYSA-N 410.482 1.866 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)CC1 1770747515 QHAUIPCOIBFBGE-UHFFFAOYSA-N 420.564 1.706 30 10 HDEE CS(=O)(=O)CC1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1771352227 HUHMKJSILWMTKR-KDOFPFPSSA-N 411.503 1.439 30 10 HDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1771416093 AEAPZPDWGGXEFR-OAHLLOKOSA-N 420.539 1.041 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 1851054350 ABEKQTGHPCKOSH-FUHWJXTLSA-N 405.520 1.888 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)c(C#N)cc1C#N 1851054489 DVWBCBALXKZXHD-INIZCTEOSA-N 423.860 1.939 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1cccc(F)c1C#N 1851678116 WFNJDCMKVJMLFW-UHFFFAOYSA-N 419.434 1.800 30 10 HDEE C=CCN1C[C@H](C(=O)OC[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1852582631 AHJVGQLCMCZEGB-DLBZAZTESA-N 406.504 1.665 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N[C@H]2CCCN(CC(=O)OC)C2)c2ccccc21 1852987469 PLKYCIQVHDTPFG-KRWDZBQOSA-N 414.506 1.827 30 10 HDEE COC1CCN(C2CN(C[C@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)CC1 1853867876 JHZGCBFQNJQORS-MRXNPFEDSA-N 411.506 1.127 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)C2CC3(CCOCC3)C2)C1=O)[C@@H]1CCN(C)C1=O 1854082472 QTEKGMCNPMWPKR-RBUKOAKNSA-N 417.550 1.820 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@@H](F)CC2CCC2)C1=O 1854283614 JVGDDIBIGTXPMB-FUHWJXTLSA-N 414.485 1.515 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 1854654575 NVEKQSZLAZLRTG-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1854725986 MUFHNRHYDWUNDM-WFASDCNBSA-N 408.380 1.394 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)[C@@H]2CC=CCC2)C1=O 1854881766 WEXDVJPTLOKWLW-APWZRJJASA-N 408.506 1.733 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3nc4ccccc4o3)C(=O)C2)C1 1854950037 NWCAGTFREYJBSO-DLBZAZTESA-N 409.490 1.808 30 10 HDEE CN(CC(=O)N1CCC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)C(=O)OC(C)(C)C 1855022718 HAYLLPXVZOETCN-HOTGVXAUSA-N 404.511 1.997 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1855676980 YTMLPVOROZGJTL-OAHLLOKOSA-N 409.483 1.600 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)Cc3cccs3)C2)CC1 1855853176 MFJYAXAPKUWKRV-MRXNPFEDSA-N 409.515 1.755 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCC#N)C(C)(C)C2=O)cc1 1855896866 WDPKPGSTOPVBLK-UHFFFAOYSA-N 405.520 1.912 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(C4CC4)no3)C(C)(C)C2=O)CC1=O 1856366182 JFYQDFXCNNFSAR-OAHLLOKOSA-N 400.479 1.536 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC(F)(F)F 1856900586 NDAGUOKEQPWQEF-UHFFFAOYSA-N 403.382 1.979 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccnc2OCC)C1)[C@H]1CCN(C)C1=O 1857055422 FDEVRRHGSJSRFQ-AEFFLSMTSA-N 414.506 1.578 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)Cc2ccccc2Cl)C1=O 1857149997 MYQBVVLNKDEQRL-SFHVURJKSA-N 424.892 1.492 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861201578 JZGUBFLPUUKBLU-NVXWUHKLSA-N 406.914 1.214 30 10 HDEE COc1cc2[nH]c(C(=O)N(CCC#N)[C@@H](C)C(=O)O)cc(=O)c2c(OC)c1OC 1866547042 ZLKXPJAZVWDGFZ-JTQLQIEISA-N 403.391 1.383 30 10 HDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(F)c1 1889353094 RKCCHOFPSRZGCU-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cn(C)c(=O)n(C)c3=O)ccc21 1889544831 GJJKZGAHDKDXAA-UHFFFAOYSA-N 412.446 1.274 30 10 HDEE CC1(C)OB(CCCN2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 1977841166 UROQUTSOYNNDNP-NEPJUHHUSA-N 407.242 1.323 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C)CCN1C(=O)OC(C)(C)C 1982282475 XOBRFJAYDILTGC-LBPRGKRZSA-N 412.350 1.366 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1985101590 UZORZBUIWNVXLU-HGTKMLMNSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1985194539 RYDUSHMYSUEPKT-LJQANCHMSA-N 413.522 1.432 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cc(C#CCO)ccn1 2089698529 LWCNCNKIHRBNJU-UHFFFAOYSA-N 413.455 1.244 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O 2151773703 QKCORVGIRGGHCH-ZDUSSCGKSA-N 401.416 1.344 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCN=c2[nH]cnc(Cl)c2C#N)C1 2162418867 XPRAKEREGUUYOT-LLVKDONJSA-N 415.903 1.260 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2174781586 HHQXCLMGZXNUKI-IIDMSEBBSA-N 400.545 1.949 30 10 HDEE CN(CCOCCN(C)S(=O)(=O)N1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C 2174782270 OUNQRGCCTBVQMK-HNNXBMFYSA-N 404.533 1.282 30 10 HDEE C[C@@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)CC1(C#N)CCOCC1 2174782713 UDAWBXXFHJBEDT-AWEZNQCLSA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)CCO1 2174783203 ZLFIQIDQDMRQIK-ILXRZTDVSA-N 402.517 1.129 30 10 HDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174784967 TXSKGNVXLCGJCW-GJZGRUSLSA-N 402.517 1.034 30 10 HDEE C#CCN(C(=O)C1=C(F)CN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 2180104897 VJWPTHRHZCWNEA-CYBMUJFWSA-N 400.472 1.500 30 10 HDEE C=C(CNC(C)(C)C)CN1CCS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 2183497537 OCALLWNDZLUTAM-UHFFFAOYSA-N 401.573 1.651 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 2185571310 PGRSUEVEFWULCX-OAGGEKHMSA-N 401.529 1.822 30 10 HDEE C[C@@H](NC(=O)N[C@@H](C)S(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2203126760 SCRDMINDKLVQBO-GHMZBOCLSA-N 402.347 1.798 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2205592658 YAQRIYPKIXEPSU-ZIAGYGMSSA-N 419.569 1.577 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243418947 ODQDLVBVUCFRKP-HAQNSBGRSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2247821198 WOVOBUHONMFORD-UHFFFAOYSA-N 423.319 1.450 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247920735 CGKVPZOZZAGVCS-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247930418 SBRSOBHSSWBNSQ-ZIAGYGMSSA-N 418.303 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248440374 GWXDTRCMSMYZEB-CQSZACIVSA-N 421.303 1.595 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258143604 SKGGKNFRWDJMPF-WBVHZDCISA-N 408.476 1.129 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258171163 OLSPXFXAKYBWRK-BBRMVZONSA-N 409.464 1.320 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC/C=C\C(=O)O)cc2Cl)OC1(C)C 2269040213 LJXYXNMGERNDGL-WAYWQWQTSA-N 407.706 1.620 30 10 HDEE C[S@@](=O)CCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282008998 NOKIYAVTFGQNNO-AREMUKBSSA-N 400.737 1.923 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](CN)C1 2282308029 LSMSKRIYIDDTBY-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CN(C[C@H]1OCC[C@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282328681 BAWZHRUKLJYDRJ-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2282331727 RDEBTTOCPFQYFC-WCBMZHEXSA-N 415.264 1.637 30 10 HDEE C[C@H]1CC[C@@](CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335015 JKPNHYSBURMUFS-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)c2)OC1(C)C 2282352518 PGDMTCLWQGAHMY-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE CN([C@@H]1CCCNCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489574 FCDVAHSDCGBRQI-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H](N)C3)c(Cl)c2)OC1(C)C 2282494476 ZGRBPJSFQLEYNK-STQMWFEESA-N 400.737 1.797 30 10 HDEE C[C@H](CCCO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832794 CPCCIXGGVACATI-GFCCVEGCSA-N 404.363 1.270 30 10 HDEE CNCCC[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840342 MTMNDFOTUQZQNU-GFCCVEGCSA-N 403.379 1.250 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282859713 POLHFGHCVMVXID-YMXBGEKHSA-N 401.359 1.373 30 10 HDEE CC1(C)NCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866108 DGQIQVNMFPBGLA-ZDUSSCGKSA-N 400.375 1.607 30 10 HDEE CS[C@@H](C)[C@@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369625 XRUPSPODSZYUBW-WCBMZHEXSA-N 400.331 1.685 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H]3CC(=O)O)s2)OC1(C)C 2284413079 GNVJBOXVGMHBNU-GHMZBOCLSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)N(CC(=O)O)CC(=O)O)c2Cl)OC1(C)C 2284440254 JNBHQGSQQLVDHZ-UHFFFAOYSA-N 403.649 1.312 30 10 HDEE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CC(C)(C)C#N 2289605692 XAJLEAOMUSGBQH-ZDUSSCGKSA-N 405.517 1.692 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(Cc1ccccc1)C2 2315532304 GBUQBIVJXOSEKZ-SBUREZEXSA-N 422.338 1.724 30 10 HDEE C#Cc1ncccc1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2324114148 PXDBOFCLNCEDNZ-LJQANCHMSA-N 401.419 1.829 30 10 HDEE C=CCC1(CO)CCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2360589834 BTYSLFRYMYOZIO-AWEZNQCLSA-N 404.529 1.102 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365205245 SVXCPCDSUCRYIE-KHYOSLBOSA-N 402.557 1.729 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H](CC)CNC(=O)OC(C)(C)C 2365208866 FAXQWCPRTVEMOU-BZUAXINKSA-N 404.573 1.703 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240225 CHJAPCLGIKIEDG-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365252279 CHJAPCLGIKIEDG-SCLBCKFNSA-N 403.497 1.682 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367793461 VWJUAZGHUZMIPS-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1 2367794460 ZZDRFFKHCABNIG-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)CCOCCNC(=O)OC(C)(C)C 2367798901 VLOXUDKOFWNRCD-MRXNPFEDSA-N 402.557 1.867 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2370674600 UCIIMDPWVXHABD-KSMMKXTCSA-N 401.525 1.779 30 10 HDEE C=CC1(N[C@@](C)(C(=O)O)[C@@H]2CCCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377234173 PQTMNSYUIFCVOM-CXAGYDPISA-N 402.513 1.420 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1 24843535 HHUKXUHRQNMOFM-STQMWFEESA-N 419.434 1.935 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3cccnc3)N2)CC1 72444662 RRYSRZNFCOQUHZ-CABCVRRESA-N 422.445 1.248 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)c1 116631390 LBHQRSPNFKNRIE-GOSISDBHSA-N 411.487 1.768 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 254392463 ZWXWUBFLSCXHKZ-STQMWFEESA-N 400.453 1.682 30 10 HDEE NC(=NO)c1cc(Br)cnc1-n1cc(I)cn1 310360324 JXRDUVAPFXQTCK-UHFFFAOYSA-N 407.997 1.729 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410425992 FGZXKNZFHIGAIG-NXEZZACHSA-N 421.397 1.312 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)CC2)cc1 436122020 ZQEJETQFMDERES-UHFFFAOYSA-N 410.499 1.586 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)n1cnc(C#N)n1 466378284 ZWXGGRMUFDZOMK-YGRLFVJLSA-N 403.240 1.173 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C 466711669 CXHDDGISDDNWKS-UHFFFAOYSA-N 419.445 1.566 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@]3(CO)C[C@H](C)CC(C)(C)C3)CC2)o1 471146534 BUWQLNKAAGZJCP-VFNWGFHPSA-N 403.527 1.670 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 475023200 HSWHRBNPQUZKJP-FQEVSTJZSA-N 414.462 1.157 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(O)nc2ccccc12 482412171 JCGXGHFLVGIAQY-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE CCn1nccc1CN(CCO)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483474835 KVXHSYCFDXEPLR-CQSZACIVSA-N 405.480 1.615 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1C#N 489877053 WKKDZPDGFALCFV-HZPDHXFCSA-N 412.471 1.459 30 10 HDEE CN1CCN(c2cccc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)n2)CC1 502063520 CZSBCCJLBSZNKD-UHFFFAOYSA-N 408.481 1.807 30 10 HDEE Cc1occc1C(=O)Nc1nc(CC(=O)N2CCN(C(=O)CC#N)CC2)cs1 503644743 SQZUTESROYWONQ-UHFFFAOYSA-N 401.448 1.424 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)NCCN(C)C 503876789 UNNDJSMLDYUHIV-HNNXBMFYSA-N 400.932 1.582 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccnc1 505620590 KKEIHDVQVDPSND-UHFFFAOYSA-N 402.476 1.233 30 10 HDEE C[S@@](=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 506789671 JGSBLFBNRVHPRS-AREMUKBSSA-N 403.529 1.802 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 508810271 CCYAIWTXLRQFGE-UHFFFAOYSA-N 419.493 1.845 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 508945183 JNDVBNQFYJTRFP-CQSZACIVSA-N 406.487 1.227 30 10 HDEE Cc1ccc(C(=O)NCCS(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCC#N 517478023 FIPKZYVDFPXZHI-UHFFFAOYSA-N 421.500 1.001 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(Br)s2)CC1 522318388 ABUUOUGBNIXICX-UHFFFAOYSA-N 415.357 1.683 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 522675556 ACZYWTATTUZGOK-UHFFFAOYSA-N 409.446 1.039 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N3CCCCC3)cc21 526841493 UCEJTQPTWYPGPA-WNNBVUDTSA-N 418.515 1.930 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)n1 545489968 RQTPKRYVUKMALX-UHFFFAOYSA-N 413.459 1.908 30 10 HDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1OC 545501898 YHYAWNNRCFXMPA-QGZVFWFLSA-N 421.457 1.425 30 10 HDEE COc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)c1 548804178 KORKBFCAVDZJEV-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cc(OC)ncn2)CC1 549248080 JSJYOBGGGOFWOV-UHFFFAOYSA-N 406.494 1.965 30 10 HDEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 553760096 CKQCWPYMMFVNCG-UHFFFAOYSA-N 414.550 1.650 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccn(C)n1 553877765 ZWFNPIXYSUAFNX-CYBMUJFWSA-N 413.253 1.247 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3ccon3)s2)CC1 561081070 DSIMHKUWIQUWHK-UHFFFAOYSA-N 402.461 1.576 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCC1 564333942 OGJVCKNTZDAMBB-UHFFFAOYSA-N 417.940 1.670 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 604547595 KLBVGKQNHIUZSW-AWEZNQCLSA-N 410.521 1.116 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)nc1 608884362 GLHQJWGVRIVZKG-UHFFFAOYSA-N 420.494 1.332 30 10 HDEE Cc1nc([C@H]2COCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)no1 615412795 FLQMLCONIONKCZ-CQSZACIVSA-N 401.448 1.922 30 10 HDEE N#Cc1ccc(-c2nnc(CN3CCN(c4ccccc4S(N)(=O)=O)CC3)o2)cc1 615456451 AWTVYMSZHNAMPQ-UHFFFAOYSA-N 424.486 1.578 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 669817820 SGKJWMUXNVHKFM-WFASDCNBSA-N 408.532 1.124 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2c2ccc3c(c2)OCO3)c1=O 728284072 BUZBGWJAAVMRQZ-INIZCTEOSA-N 412.446 1.067 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 729331721 GIQVUSHNONUAGJ-UKRRQHHQSA-N 424.906 1.350 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671975 RZFBJMFMJYMAAD-UHFFFAOYSA-N 421.526 1.339 30 10 HDEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730137322 FHONBCRFZKMVAL-INIZCTEOSA-N 405.524 1.664 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 731767309 SLVMWNRNMBFPJT-UHFFFAOYSA-N 412.402 1.503 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)NC(=O)OCc1ccccc1 734292909 KCTYOIKTSBZKMG-CQSZACIVSA-N 401.444 1.987 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735226011 QINRDAXDDDFRMM-KRWDZBQOSA-N 416.503 1.438 30 10 HDEE CC(C)c1nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1cccc(F)c1 735470500 CQMMKZFPQDTMMO-KNTRCKAVSA-N 412.425 1.786 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H](O)C1CCOCC1 740975754 VSBPQGGRVUAYNV-GOSISDBHSA-N 407.467 1.282 30 10 HDEE C#CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1 741522892 DKCCAAGRCSLOLQ-UHFFFAOYSA-N 413.499 1.887 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1 743113346 DLFXUYHKHKFSAX-UZYVYHOESA-N 405.524 1.811 30 10 HDEE COc1cc(F)ccc1N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746273960 LFPQTDJOAPGCSJ-VXPUYCOJSA-N 402.426 1.399 30 10 HDEE COC(=O)c1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1C#N 756161390 ZESCOZSLKKLHHC-LBPRGKRZSA-N 420.418 1.894 30 10 HDEE Cc1ccc(C)c(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c1 765627271 HHTSXDIDNBEXSL-UHFFFAOYSA-N 412.515 1.691 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 767530446 BJAPOXIMNRLJCP-JKIFEVAISA-N 404.533 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 788274004 ZNRDDHMMXMKHKQ-OAHLLOKOSA-N 404.442 1.829 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Cc2ccccc2)n2nnnc2C)n1 790104083 JYNDHVKGAHDTQZ-HXUWFJFHSA-N 407.478 1.270 30 10 HDEE C=CC[C@]1(C(=O)NC2CCN(CC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 790286491 WBHLBKWYNZXLJT-OAQYLSRUSA-N 408.543 1.659 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)ccc1F 796152047 QXLRELXNVZWUJL-GJZGRUSLSA-N 411.455 1.756 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]2C1 797764105 ACVQPOMNWVXYPS-BDIVNLMLSA-N 404.467 1.228 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 797814778 JDJBDHITVREFSN-FIHHIJHUSA-N 417.579 1.791 30 10 HDEE C#CCOCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 810674767 JGLURIWMPURCHG-CYMYHSCOSA-N 404.466 1.232 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cc2cncnc2)CC1 811332582 RMPWZMCYJXFLNT-UHFFFAOYSA-N 422.401 1.031 30 10 HDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 812276396 LWJFHWPKQXWIRC-UHFFFAOYSA-N 402.410 1.945 30 10 HDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 813563679 YSBNRLJXNGMWOG-GOEBONIOSA-N 419.551 1.129 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 1128433904 PKWHSQKULUXNLD-UHFFFAOYSA-N 416.279 1.631 30 10 HDEE COc1ncc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1133849988 AKWJAHBNMQCAPN-GFCCVEGCSA-N 403.439 1.368 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnnn1-c1cccc(Cl)c1Cl 1136672259 HOCMBGCDCFEODI-BMRADRMJSA-N 421.244 1.830 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1144582554 KNZPNIFBWQSREZ-CVEARBPZSA-N 410.430 1.507 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C)cn3)cc2)CC1 1152972181 BBKYGZBBFONGTF-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1164672451 KIKGKRIBJGAUFH-QGZVFWFLSA-N 402.495 1.643 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC(=O)N(C)C 1165594697 HLSGNYAHOOUUFD-AWEZNQCLSA-N 410.496 1.098 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccnn1-c1ccccc1 1255556204 XJNQXRJRWMALGY-KRWDZBQOSA-N 416.489 1.997 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)nn1 1264291949 TVFGNWVNEILIBM-UHFFFAOYSA-N 412.494 1.780 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)Cc1ccccc1 1286407254 GQIOWOXJZHQMFI-QUCCMNQESA-N 404.518 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1286428282 LJYLXRCQBJFGBO-LJQANCHMSA-N 411.531 1.552 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)CC1 1286473516 OHFBGTNLPJBRTO-UHFFFAOYSA-N 423.477 1.135 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OC)C(CC)CC)CC1 1286480540 YRJTXHYOQIVLEG-OALUTQOASA-N 416.570 1.826 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286495931 IXOVJJRQDOKUMQ-INIZCTEOSA-N 420.583 1.331 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286503283 DAPPGPLVVVYMQL-CQSZACIVSA-N 406.537 1.115 30 10 HDEE CC(C)COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287841375 GWEHEABIKHLBLB-ROUUACIJSA-N 415.542 1.468 30 10 HDEE C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1288630005 DFOXDNRZKLZYHG-SZNDQCEHSA-N 424.484 1.584 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1288982251 SPEAQGMCQLVAKU-CILBIJLJSA-N 409.494 1.887 30 10 HDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(Cl)c1 1289439491 FHXDCDADNDHPMS-UHFFFAOYSA-N 407.879 1.933 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)cs1 1290416199 ZSASETWFAUYNCY-UHFFFAOYSA-N 408.553 1.809 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1291165529 MEQAXSMTTSRXDK-MUXVIGPSSA-N 414.510 1.933 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1cccc(C(F)(F)F)c1 1293038030 HAQHSWZOSGCENL-AWEZNQCLSA-N 412.393 1.947 30 10 HDEE CC[S@@](=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1297828540 PLCFHANFCFVJMK-HMILPKGGSA-N 409.556 1.827 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1300282375 HPNDKAZODDHYPK-CQSZACIVSA-N 424.548 1.241 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300422258 JBMFXQLRKSJPSK-IEBWSBKVSA-N 404.474 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1300522360 DIMOGHUMHIPMTF-UHFFFAOYSA-N 407.499 1.857 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1300635712 UEGVLPXRTOEAOB-MHZLTWQESA-N 405.549 1.640 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)O)CC1 1300718205 FOTNWXHIJSZDHL-UHFFFAOYSA-N 416.913 1.730 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300750801 CHWNDNIWDAYXES-UHFFFAOYSA-N 424.574 1.712 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1301381168 UUZBMXVHEQHBMP-MRXNPFEDSA-N 405.528 1.281 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301503192 VIFAATBYOAGYMA-GJZGRUSLSA-N 406.531 1.882 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(C)(=O)=O)C1 1301565892 LIHPLBVXXQAXPA-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301611946 IVZPYQYMDOBUSP-IRXDYDNUSA-N 421.567 1.529 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1303047431 UYSOXDBUBTYAED-CQSZACIVSA-N 408.524 1.200 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1303802762 COVOHSDTXCTKOR-LSDHHAIUSA-N 424.571 1.833 30 10 HDEE Cc1cc(NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c(C#N)cc1[N+](=O)[O-] 1306975027 AQFVZFQAPKKSEU-UHFFFAOYSA-N 404.452 1.774 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1309982922 VJNOLRBPTOQILS-AWEZNQCLSA-N 415.899 1.257 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)CC1 1310839441 ZISQTICQWJIXPY-UHFFFAOYSA-N 411.553 1.374 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1312002529 BRFUBMGTWXQHCS-IAGOWNOFSA-N 403.479 1.868 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)CCOC1 1314138053 IAGRKRWVRFDVHY-WRWLIDTKSA-N 404.515 1.142 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1 1321743837 CNNYCJKADIKCDV-BZSIDJSBSA-N 413.434 1.530 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Cc3ccncc3)C(=O)OC)cc2C1=O 1327587848 SWDXDCSPTGQQOH-INIZCTEOSA-N 407.426 1.625 30 10 HDEE CCCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1354361083 ZELQPQLPBTZLAY-KNTRCKAVSA-N 415.537 1.653 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1Cc1cnnn1C 1358983182 YHQIIKPZPMSJTE-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1358997062 CNSXKIMHAHZUOW-UHFFFAOYSA-N 410.522 1.170 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccsc2)CC1 1359028974 LEDXCLGUCWJZPV-UHFFFAOYSA-N 421.530 1.985 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC2CC2)CC1 1359031381 ZTJQRUPLLAWACZ-UHFFFAOYSA-N 412.925 1.880 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCN2CC)CC1 1359045759 SEJFLDKSMLTLTB-IBGZPJMESA-N 400.571 1.927 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359131931 JIHGLZPFGHZLBK-QGZVFWFLSA-N 416.526 1.905 30 10 HDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1359148788 CHFOXSKPXHGEAR-LBPRGKRZSA-N 413.869 1.256 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359229644 PIYVXCULXUTBKK-APWZRJJASA-N 410.540 1.737 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCN(C)C1 1359269178 RDBORMGTMHDKCA-QFIPXVFZSA-N 411.506 1.961 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359286787 RSLGROWEXDJQBI-CQSZACIVSA-N 400.483 1.885 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cscn2)CC1 1359291337 MNYQXMYJQJGMHN-RDJZCZTQSA-N 404.540 1.967 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1359301783 KXOQSFORGGPCFY-KRWDZBQOSA-N 414.485 1.415 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(N)=O)cc2)C1 1359319302 WVBHYFRFZOQTQT-KRWDZBQOSA-N 405.462 1.664 30 10 HDEE Cc1cc([C@](C)(O)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1360998674 GOHFNYMTGWMHKZ-OXQOHEQNSA-N 411.466 1.525 30 10 HDEE Cn1nc2cc(Br)ccc2c1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1443538472 SIVKWHIEEQAAFX-JQIJEIRASA-N 418.251 1.592 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(CC(=O)OC)CCOCC2)c1 1449417370 ZTNIHJALUPECJC-UHFFFAOYSA-N 407.488 1.573 30 10 HDEE C=CCC[C@@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1ccccc1 1449496241 GGKIKJBLQBLFFY-QGZVFWFLSA-N 413.565 1.853 30 10 HDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1449708482 WHOXSIVDJMCYSQ-PXAZEXFGSA-N 406.439 1.507 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452499034 NFPKLPZCLROWFG-MRXNPFEDSA-N 414.487 1.565 30 10 HDEE COc1ccc(Br)c(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1457204838 XSAWBAFXMHCNKX-UHFFFAOYSA-N 419.235 1.218 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)n1 1467716470 OPVNWMAFLKGVQW-HRAATJIYSA-N 402.495 1.891 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1468545607 YDAJEEJMZLOYOP-UHFFFAOYSA-N 422.489 1.027 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OCC 1471583783 FFNNYPVYCLREBX-OAHLLOKOSA-N 415.537 1.380 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OC 1471895705 SZMNGGDCPLYVGL-KRWDZBQOSA-N 401.463 1.340 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1S(=O)(=O)c1ccc(Br)c(C#N)c1 1475618858 ATUWACOCXYWILT-MXWKQRLJSA-N 400.298 1.949 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)O1 1479203288 YIADVJALHHPYML-BDJLRTHQSA-N 400.414 1.401 30 10 HDEE C=C[C@](C)(O)CC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1488647975 FCBMMRZWLJJOCX-RWGKDQLYSA-N 402.466 1.809 30 10 HDEE C[C@@H]1C[C@@H](CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCO1 1493294979 GTZPESNMRGKKMW-IXDOHACOSA-N 402.499 1.334 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1496791067 XSRMKZVQZDXWHG-FQEVSTJZSA-N 401.515 1.415 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1504526035 DKSFPPORZCJMNL-JKIFEVAISA-N 416.482 1.796 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1504755914 LPNCGXBBBFZXPH-HMFYCAOWSA-N 424.505 1.319 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507632918 QTXZAFGJEBKQMD-OAGGEKHMSA-N 410.565 1.304 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507863550 HWMMBXRTUQVQCX-MRXNPFEDSA-N 418.933 1.428 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1508020078 NMVDLCUGUNDLQM-HZPDHXFCSA-N 409.556 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C(C)C)C1 1508138987 BNLDMBLRBCVNRQ-INIZCTEOSA-N 424.596 1.857 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@](C(N)=O)(c2ccccc2)C1 1536239838 ANEYSANSVHWYOB-QHCPKHFHSA-N 416.485 1.806 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2ncccc2S(C)(=O)=O)cc(OC)c1OC 1536336713 UARFKGFSKCYPJE-LBPRGKRZSA-N 405.432 1.506 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1536901109 QYUMPKFXRWIJRS-DAYGRLMNSA-N 423.491 1.703 30 10 HDEE CO[C@@H]1COCC[C@H]1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536933262 IDOPZKXRIHTWJD-RTBURBONSA-N 421.519 1.221 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)c1)CCS2(=O)=O 1537446857 DJTHBFBWCXARGD-FVRSWCFKSA-N 410.879 1.840 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)on2)c1 1537757218 ZNCVIGYPKHXBRI-UHFFFAOYSA-N 417.425 1.376 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCS(C)(=O)=O 1539031076 WJRSEAPCJHELMG-ZDUSSCGKSA-N 409.537 1.162 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539220551 KYJTUKGSXTWJOA-INIZCTEOSA-N 417.539 1.232 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539291645 ULGQMDVRUKYOIU-GCJKJVERSA-N 413.522 1.607 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCCNC(C)=O)CC1 1539460165 YYNAPISCOZMENW-UHFFFAOYSA-N 419.533 1.563 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1540140241 SAPSECTWBBNGEU-HXUWFJFHSA-N 417.535 1.920 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1540889152 GARNKOSVDNDDSO-GOSISDBHSA-N 417.535 1.946 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2ccc3c(c2)OCO3)s1 1544093098 SWPNQZIZIZWTGU-UHFFFAOYSA-N 424.500 1.679 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1547351126 CGUPYXBPEGFNKS-KRWDZBQOSA-N 417.535 1.991 30 10 HDEE CCOCc1nnc(N(C)C[C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1548090387 WDPYMAKRTWPHRQ-RAJOGRCSSA-N 418.498 1.346 30 10 HDEE CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1554489139 DGIRCHOMKVAXCK-UHFFFAOYSA-N 401.496 1.146 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1554586068 AFDPJWSNYGQNIA-IPYPFGDCSA-N 404.496 1.723 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1555328620 VSPIARGOBKAFTO-AWEZNQCLSA-N 421.461 1.666 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1555716536 NQCBWEPGTNVAKM-UHFFFAOYSA-N 403.508 1.439 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CCO1 1555993707 BCIKCNMGGCIRSU-IBGZPJMESA-N 411.510 1.105 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1557977182 CTKPMFOJHWGDEP-UHFFFAOYSA-N 410.497 1.992 30 10 HDEE C[C@]1(C(=O)NCC#C[C@@H]2CCCCO2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1558752558 IHMIOGXOWFTBCG-XQBPLPMBSA-N 400.475 1.837 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1561641654 VBHOZYXFGWGHBP-CYBMUJFWSA-N 413.293 1.381 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(C#N)s2)CCOCC1 1561808721 SXEWAWXDXBELKQ-UHFFFAOYSA-N 401.510 1.972 30 10 HDEE C#CC1(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCCC1 1563781650 JKPRRWWMRWBAIK-QGZVFWFLSA-N 405.520 1.889 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1565331519 JVEJVWMGWIRSFV-UHFFFAOYSA-N 410.449 1.403 30 10 HDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ncc(C(=O)OC)s1 1566081040 BJMSKEORUJGWTM-NSHDSACASA-N 422.488 1.521 30 10 HDEE C=CCn1cc(C(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)nn1 1583780991 NJOVLVDOMZAIEA-CQSZACIVSA-N 403.483 1.259 30 10 HDEE Cn1cc(I)c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)n1 1584321682 VHFJPERKJKHRDO-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cc1ccc(Br)cc1C#N 1584443246 MMPRBCKMOOLYMJ-KRWDZBQOSA-N 421.339 1.922 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC[C@@H]2CCOC2)CC1 1585675589 XXCFOXCLYFMWQV-UCTAPSKPSA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1587639451 LVHKHRADUHYQBP-SJORKVTESA-N 401.536 1.974 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1587641210 YTJGCQLGEWRJDJ-BFHYXJOUSA-N 400.595 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C2OCCO2)c1 1587663200 UTCRDSNHEQCJCK-INIZCTEOSA-N 409.490 1.952 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1CCCO 1587683204 DVVMSSZIYUEYFB-OKYOBFRVSA-N 405.543 1.307 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1587793748 SFEXSRYVEKEVQN-LEWJYISDSA-N 401.511 1.450 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588049536 IBMCHYNQEIUQOA-CVEARBPZSA-N 401.492 1.245 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CSCCS1 1588559749 JSENSYDXBGCLHY-OAHLLOKOSA-N 409.581 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCC1 1588628211 FWSSDTVBXWGPGD-UHFFFAOYSA-N 422.489 1.193 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1595392954 DQMZGZKWGRWGFT-INIZCTEOSA-N 409.494 1.974 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnccn2)CC1 1595883820 CBMIKZMXRWUBRC-MRXNPFEDSA-N 401.540 1.818 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)c1 1595922475 WDBWBBMSIGEHTR-CQSZACIVSA-N 407.467 1.644 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C#N)n3)CCC2=O)cn1 1610906627 SDNQSRFCYSLMDX-JTQLQIEISA-N 403.240 1.831 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1611484286 DBIFTQVAEKBCBS-ICSRJNTNSA-N 419.503 1.573 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CCN1CCN(C(=O)OC(C)(C)C)CC1 1616345749 FRWSATUGJHOYLG-QGZVFWFLSA-N 415.542 1.411 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1617164055 IDQDDISLUCPWCO-UHFFFAOYSA-N 407.430 1.398 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1618172998 IAKKNDXAIFXYOM-APWZRJJASA-N 408.520 1.543 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@H](Oc3cncc(Br)c3)C2)CC1 1618932608 XJEIEYKYAUTVAH-MRXNPFEDSA-N 407.312 1.075 30 10 HDEE CO[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619504560 VCXVPPFXNGTALU-IJYGLTAASA-N 400.483 1.372 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(=O)nc1O 1626019570 DKPMPLGZPTVNTK-UHFFFAOYSA-N 400.288 1.930 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CCC)CC1 1627015309 NYITXKALDYBBPE-DHIUTWEWSA-N 424.589 1.818 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1628508386 QIVJNTQQJQQJPB-GFCCVEGCSA-N 403.298 1.204 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H]4CCCN(C)C4)CC3)n[nH]2)c1C 1629108760 DNMLCAZCCFRPON-GOSISDBHSA-N 411.554 1.928 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)s2)cc1 1630284769 VEPFMVNBQLILKE-UHFFFAOYSA-N 406.489 1.563 30 10 HDEE CSc1nc(O)c(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)cc1C#N 1630514726 ZDTWGKZGMWAKSZ-KRWDZBQOSA-N 411.531 1.927 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C)c(C)[nH]1 1630877548 GFQFZJCPCNZXRO-OAHLLOKOSA-N 403.508 1.940 30 10 HDEE C=CCc1cc(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cc(OC)c1OC 1631734497 SEOJYMVYAXMQHJ-UHFFFAOYSA-N 403.479 1.243 30 10 HDEE Cc1cc(C2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n[nH]1 1632807526 BNPBSYGPOBGECX-UHFFFAOYSA-N 401.492 1.848 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1ccc(Cl)c(Cl)c1 1632885135 QSDHWIXKGNRSBN-LBPRGKRZSA-N 415.258 1.543 30 10 HDEE C#CCC1(NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CCOCC1 1635116973 PWJRTHCNAZPYGB-MRXNPFEDSA-N 407.511 1.581 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C2)nc1 1635415746 PINDZZJJPIFGSV-ZDUSSCGKSA-N 403.439 1.456 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccc3[nH]cc(I)c3c2)n1 1636055251 YLAKAVRRUKNUGV-UHFFFAOYSA-N 406.187 1.666 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)CC1 1636468875 DMBBBJCOTIFZFB-QGZVFWFLSA-N 400.479 1.816 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccccc3N3CCC[C@H]3C2)cc1 1636658095 WZJKRJFYFFYZJU-SFHVURJKSA-N 410.499 1.848 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)c(=O)nc1O 1636756133 NLIDTHVYSCEDOJ-GOSISDBHSA-N 408.462 1.134 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccs3)CC2)s1 1638364739 QQOGRIXDCRUHCZ-UHFFFAOYSA-N 412.562 1.560 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1=O 1639890551 QQSYELYCXYSDST-PBAGJPEZSA-N 407.467 1.409 30 10 HDEE N#CC1(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 1640486990 HPWCFMFXJCPLIN-UHFFFAOYSA-N 405.520 1.840 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c(=O)c1C#N 1641510839 IFVVGSQGPGFJHO-NSHDSACASA-N 409.284 1.816 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccncc1)C(=O)OC(C)(C)C 1642009683 BYZODUBCGOXMSO-DLBZAZTESA-N 405.451 1.033 30 10 HDEE COC(=O)c1csc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1642227916 ZSFZBUWIHUCEQN-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1)C(=O)OC 1642411053 SLZXBBGZIIUZOC-CYBMUJFWSA-N 400.387 1.844 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)CN1CCO 1643089938 MPHPWHAFWHRXKL-IIAWOOMASA-N 404.898 1.478 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1F 1643817831 AHUKZTXCRIWSFG-UHFFFAOYSA-N 424.542 1.142 30 10 HDEE Cc1c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cnn1-c1ccc(O)nn1 1643889230 UATHVIXKDZKQFH-QGZVFWFLSA-N 403.446 1.899 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)ccc1F 1644833408 CNWQCKVRJMGARR-MRXNPFEDSA-N 410.442 1.763 30 10 HDEE COC(=O)[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(OC)c(Cl)c1 1645564502 CUKJIMPQTBGDBP-KRWDZBQOSA-N 423.878 1.893 30 10 HDEE C#CCN1CCN(C(=O)COc2c(C(=O)OCC)cnc3ccc(OC)cc23)CC1 1652252610 IGJUVQLHLZIOMQ-UHFFFAOYSA-N 411.458 1.576 30 10 HDEE C[C@@]1(c2cccnc2Cl)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1652730411 RPHNEMZLSVPMCP-NRFANRHFSA-N 422.828 1.802 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1654754757 GYYOCQNBAPYMJW-DLBZAZTESA-N 402.495 1.367 30 10 HDEE CCOc1ccccc1[C@H](CC)NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889374 YAJCFBWRAWYYEZ-KNBMTAEXSA-N 405.520 1.523 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](CS(C)(=O)=O)C1 1654940350 LOLPCFFMTCUMGH-HUUCEWRRSA-N 411.549 1.622 30 10 HDEE COC(=O)[C@]1(N2CCN(Cc3ccc(Br)cc3C#N)CC2)CCOC1 1655121608 SOCCXNVGQXPNRJ-SFHVURJKSA-N 408.296 1.770 30 10 HDEE COCc1ncc2c(n1)CCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 1655306495 QSBIZVVYWIURJH-UHFFFAOYSA-N 403.446 1.677 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1661513079 NLACKJVFNBJSGS-GFCCVEGCSA-N 417.306 1.132 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1666022431 HAJBZXOKXSUWLQ-NSHDSACASA-N 411.427 1.451 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](c3n[nH]c(C)n3)C2)cc1 1673398894 RXZLXEILVXNWQU-CQSZACIVSA-N 404.496 1.941 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1 1680778439 DLWAXZRRHUYCHU-RBUKOAKNSA-N 409.490 1.313 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 1686922435 JAWJBOQORJSVPN-QGZVFWFLSA-N 408.861 1.933 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689988298 MGTFMAOQPBTXRQ-NVXWUHKLSA-N 417.535 1.558 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689991320 ZSBJKSDSRSPTRD-HZPDHXFCSA-N 406.533 1.519 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1690094293 YKBMTDCTIRUYEJ-UHFFFAOYSA-N 405.524 1.444 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1690592694 GIBBSXXXYRXCAU-QFIPXVFZSA-N 421.505 1.839 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)no1 1692995897 CIAMINNOTICAMA-KRWDZBQOSA-N 412.475 1.785 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1696499828 IBRPJHGJANQLIE-MRXNPFEDSA-N 410.544 1.589 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1696770962 YBVWHJSGGQSVOG-UHFFFAOYSA-N 422.493 1.829 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1696874816 RJBGQMNKHGEZAB-PMACEKPBSA-N 400.433 1.928 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705495226 MKRKGPAJOTWDGT-CLWJZODNSA-N 422.551 1.366 30 10 HDEE C#CCCCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705521554 DZMYKNIZYVMYIH-UEXGIBASSA-N 406.527 1.972 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705532851 RSZFEHYUACWCSD-GOSISDBHSA-N 423.521 1.406 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705559680 DUHZMJLVRGKNFC-MRXNPFEDSA-N 409.556 1.191 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570296 ODRAZIPAWWLBPF-MRXNPFEDSA-N 421.567 1.020 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1705640879 JNNGHWMZCIBVAL-VXKWHMMOSA-N 423.561 1.984 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCn2cnnn2)CC1 1705771061 GAAVCYSTOJWPSF-UHFFFAOYSA-N 413.511 1.503 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705782393 WADWTFVYCBCYGU-ROUUACIJSA-N 423.583 1.856 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1705883899 ABOVQDHLEAAQPZ-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](COC)C1 1705932124 MHHRQUQIQUBAIV-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccn2)CC1 1705938456 ZDORZPJWJZISGH-UHFFFAOYSA-N 420.539 1.137 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712181948 BFNJXEXNBOUPKN-MRXNPFEDSA-N 416.457 1.415 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nnc(C)s1 1722349774 ALRSSKLLHVBZRK-UHFFFAOYSA-N 420.502 1.664 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@H]1CCOC1 1722387289 JCXHHSJSAPRGAO-SFHVURJKSA-N 422.489 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722397965 XVDYLWGBADKKPN-ZWKOTPCHSA-N 403.552 1.508 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722402127 HLGZXIRRJCOPTE-HRAATJIYSA-N 410.478 1.723 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCOCC1 1722416691 PGHZPRFQFFUMFK-GOSISDBHSA-N 402.543 1.217 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722458709 QVIWMHOVZXTQMA-YWZLYKJASA-N 419.551 1.370 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1722667758 QMEYBRJAWYSASW-AWEZNQCLSA-N 420.539 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@H](C(N)=O)C1 1722725297 IKERJPDIOKARPT-INIZCTEOSA-N 417.535 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](COC)C1 1722726392 DOMICGJHXJYRGC-SJORKVTESA-N 412.556 1.983 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1727021163 YIQSKXOJIPEZNH-MRXNPFEDSA-N 413.526 1.951 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1730897894 NHIGUYCYCRNCHX-OAHLLOKOSA-N 402.455 1.171 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC23CCOCC3)CC1 1740691313 ZBSCVQOECGUMDN-RBUKOAKNSA-N 417.554 1.574 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2csc(CC)n2)CC1 1740691315 ZDSITRFVJXKATJ-INIZCTEOSA-N 418.567 1.825 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740850743 KBWRAVZWPOBKII-KFWWJZLASA-N 424.523 1.897 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1740899796 IZLWDHGRBVPCTJ-MRXNPFEDSA-N 409.487 1.421 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1740938097 YEKWCLHFGYFREK-UZLBHIALSA-N 417.535 1.925 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740962154 UVAHQWXOHFFZAS-SFHVURJKSA-N 420.521 1.684 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(CC(=O)NC)CC1 1740962946 UKKVFBOIXXKUDK-UHFFFAOYSA-N 424.549 1.718 30 10 HDEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1741333044 GKUKCXHSCWRPTR-UHFFFAOYSA-N 402.524 1.945 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1742996737 AMBDPRYTBKSWDX-LTIDMASMSA-N 424.571 1.786 30 10 HDEE CCc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744595561 UMTOIQAWILCOFC-IJYGLTAASA-N 414.510 1.498 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1747356610 UKTODYIZKJYFBZ-IBGZPJMESA-N 407.478 1.955 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1748758187 VGYAFUSQHLBVTE-NRFANRHFSA-N 411.510 1.299 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1748771048 GVHIPOIFFFXZBQ-DENIHFKCSA-N 418.586 1.273 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1748791142 PIGWFLQMCYUPBW-AWEZNQCLSA-N 410.446 1.899 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 1748991069 PRKIELNISZFKSX-VQTJNVASSA-N 421.549 1.287 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC(C)(OC)C1 1749044451 QTNXSXAVONYIAP-UHFFFAOYSA-N 405.549 1.861 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749283899 DOQUDNRGDDQLMA-ZRGWGRIASA-N 409.918 1.645 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)CC1 1749329804 RZSYOQLBQYRXSP-AUUYWEPGSA-N 423.539 1.791 30 10 HDEE C=CCOc1ccccc1Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)C1 1749690086 QROQUHRLKXYHRY-UHFFFAOYSA-N 404.474 1.813 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1750069007 FHVHNACYFQZYMK-KRWDZBQOSA-N 413.574 1.548 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1752311903 HOQAGYNHPPTTIP-NVXWUHKLSA-N 415.519 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(OCCOC)CCOCC1 1760095220 JEPWJCUBHIGTAB-MRXNPFEDSA-N 407.515 1.086 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1760165327 OPLAOPSUONEPHX-UHFFFAOYSA-N 417.539 1.142 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1760259503 MRDQQAYAAUGOFI-AWEZNQCLSA-N 403.437 1.313 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2noc(CC)n2)CC1 1760263074 MSORUTLDXUKKHM-UHFFFAOYSA-N 406.494 1.207 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760354949 SZSAMMXTWYIPRE-UHFFFAOYSA-N 407.478 1.589 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760441322 DNJKJDIJLUHMEM-QGZVFWFLSA-N 404.540 1.748 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1767575501 MEBVWUFFKAQANB-VFNWGFHPSA-N 412.494 1.441 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1768635069 YZUODRBHJSFECJ-ROUUACIJSA-N 410.478 1.543 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1771112736 WNLMYKQGAJHVKF-UWJYYQICSA-N 416.526 1.897 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1772789982 IDPDMWCQXLGCJR-OAHLLOKOSA-N 408.366 1.565 30 10 HDEE CCOc1ccc([C@H]2Cn3nnc(C(=O)N4CCO[C@H](C#N)C4)c3CO2)cc1Cl 1848505148 ZCOWZHDLBWOXDW-CXAGYDPISA-N 417.853 1.966 30 10 HDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCCc2nc(C#N)ccc21 1848589845 RQDXCJAGPCXDAU-NSHDSACASA-N 406.414 1.878 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cccc(C)c1)C(C)C)[C@@H]1CCN(C)C1=O 1848936275 SNDISDRDYHMEFN-QZTJIDSGSA-N 407.536 1.543 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)C(C)C)[C@H]1CCN(C)C1=O 1849206120 YXFUGNPTKNCJQZ-DLBZAZTESA-N 411.499 1.374 30 10 HDEE CC(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)CCON=C(N)c2cccs2)CC1 1853525638 GPGGPMSKPQSDAH-INIZCTEOSA-N 421.567 1.319 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N(C)C)c2ccc3c(c2)OCO3)CC1 1853606948 YECSPVZKUKPSHY-UHFFFAOYSA-N 409.464 1.210 30 10 HDEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1 1853990223 LXBIYKVDTXTZDM-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)C2CC(F)(F)C2)C1=O 1854338000 IWHDBDDENWNNSU-HNNXBMFYSA-N 404.421 1.032 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854340498 XZBHJSVQDKTAMF-LJQANCHMSA-N 416.522 1.347 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCSc4ncccc43)CC2=O)CC1=O 1854921883 CIZWIHLSJIWMCS-LSDHHAIUSA-N 400.504 1.403 30 10 HDEE C[C@H]1CCN(C)c2c(C(=O)N3CCN([C@H]4CCN(CCC#N)C4)CC3=O)cccc21 1855008009 TULSUTMYLKFVQH-ROUUACIJSA-N 409.534 1.902 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1855083105 LSQRIZITTGOEEQ-IAGOWNOFSA-N 416.547 1.833 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1=O 1855402313 MUPIBWOAOOPRAZ-CVEARBPZSA-N 408.462 1.858 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCSCc2cc(=O)n3cccc(C)c3n2)CC1=O 1855668941 KBSUFNOZIVRMNI-HNNXBMFYSA-N 401.488 1.814 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCCN(C(=O)[C@H]3COCCO3)C2=O)CC1 1855708056 RYQZETPMTOHASN-WOJBJXKFSA-N 411.502 1.867 30 10 HDEE CC1(C)C(=O)N(C(=O)CCn2nc(-c3cccnc3)ccc2=O)CCN1CCC#N 1855869193 AMRFAINSJQDQQU-UHFFFAOYSA-N 408.462 1.058 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1CCC#N 1856197458 RAFGGOOGQCYQIL-INIZCTEOSA-N 418.519 1.448 30 10 HDEE CCn1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)n1 1856307285 RWBYHWGFQHBZLN-OAHLLOKOSA-N 412.519 1.395 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCN(CCn3cccn3)CC2)CCC1=O 1856693548 SLRKVNWEMYLKGY-PMACEKPBSA-N 401.555 1.868 30 10 HDEE Cc1oncc1C(=O)N1CC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1857006950 YATSHKRFJMXPIQ-GOSISDBHSA-N 409.446 1.782 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4ccc(F)cc4C3)CCC2=O)CC1=O 1857068051 LPZNSOYNLNJXSR-QFBILLFUSA-N 413.493 1.984 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)Cc3ccc(F)cc3F)C2=O)C1 1857111652 HEVXWEBXDOWJIQ-SFHVURJKSA-N 412.396 1.665 30 10 HDEE Cc1oncc1C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857378454 VUYAHHVSHQDQOC-INIZCTEOSA-N 408.462 1.451 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)cc1 1858416959 SKHNLFZHKPUPTL-CQSZACIVSA-N 410.455 1.702 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861205304 ZCAAMULOGMRMGX-LMMKCTJWSA-N 405.926 1.816 30 10 HDEE C=CCn1cc(OCC(=O)OCCOc2ccccc2)c(=O)cc1CN(C)CCO 1870328518 CWCWAPLNONEPJT-UHFFFAOYSA-N 416.474 1.459 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870671159 PBAAQBZOOJAWBP-IAGOWNOFSA-N 408.495 1.602 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1scnc1C(=O)OC 1888193656 RNXJMEXPCPIANP-UHFFFAOYSA-N 405.498 1.679 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCC(C#CCN(C)C)CC3)CC2=O)cc1OC 1889946200 ZEIAMTUJAZPYQX-SFHVURJKSA-N 413.518 1.860 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)c1 1891929399 KKNUWOBVFGHTEY-HZPDHXFCSA-N 411.487 1.549 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2nc[nH]cc2C#N)CCN(Cc2ccccc2)C1 2013648640 NNDOKPPFEYGKRS-JOCHJYFZSA-N 422.489 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162563291 ZSPVTEUYUVTHJR-CQSZACIVSA-N 412.537 1.771 30 10 HDEE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)CC2(C#N)CCCCC2)COC1 2176835589 HPOHJHVJOKMPRQ-UHFFFAOYSA-N 401.529 1.921 30 10 HDEE C#CCN(C(=O)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180137199 IZATXBXULRBYMG-OLZOCXBDSA-N 408.467 1.526 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CCC#N)C(C)(C)C)C1 2181050627 UBQBIGLLAYOVLB-CQSZACIVSA-N 401.529 1.951 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NC[C@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471501 BWQJSCYJTZRGAK-QWHCGFSZSA-N 410.487 1.394 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CNS(=O)(=O)N1CC[C@@H](C#N)C1 2194714992 QDBNOGROYQQKFH-UONOGXRCSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@H](C=O)C2)S(=O)(=O)C(C)(C)C1 2197734122 IJRGUAATSLDDJV-UONOGXRCSA-N 402.513 1.237 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NC(=O)[C@@H]3CCS(=O)(=O)C3)n2)OC1(C)C 2241217073 YCMYEHXXSUZKSR-SNVBAGLBSA-N 400.693 1.407 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243424663 VPIJQGJLIGCQTP-UHFFFAOYSA-N 406.292 1.306 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243431621 LLPPCJALVKBEJK-UHFFFAOYSA-N 409.292 1.842 30 10 HDEE Cn1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2247916455 XUFVFDIHMOHHQE-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267355461 UANXBUSHOYBFGZ-JTQLQIEISA-N 406.766 1.683 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CNC[C@@H]3C4)cc2Cl)OC1(C)C 2267362167 NUTPNQQIYKGYPN-VFZGTOFNSA-N 404.750 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](CO)C1 2282320403 ICIFWHBOSZIDRG-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334197 YLMVQZFBLARFMA-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCO[C@@H]2CC2(F)F)OC1(C)C 2282338101 OURSFXQAAIJOJU-LLVKDONJSA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCS(C)(=O)=O)ccc2Cl)OC1(C)C 2282406081 FENBKQWRCZPZQZ-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2cncs2)OC1(C)C 2282490513 HXJWCPKIEWTKPL-UHFFFAOYSA-N 415.371 1.561 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C2(CO)CC2)c1B1OC(C)(C)C(C)(C)O1 2282500044 VASALLFEGBDHCQ-UHFFFAOYSA-N 401.359 1.810 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282666903 LEXGWXAHZPTSDF-LBPRGKRZSA-N 401.359 1.990 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N=[S@@](C)(=O)N2CCOCC2)OC1(C)C 2282678706 QBSCPNIAEOKWGE-AREMUKBSSA-N 400.331 1.533 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C2(CO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282842290 VYMQZRHDDLJVQS-LBPRGKRZSA-N 401.359 1.795 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCC[C@@H]1O 2282847872 GBQMXCFOQUHIQM-XQQFMLRXSA-N 401.359 1.875 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](C)S(C)(=O)=O 2282856487 TWHUCFYILMHVOT-GHMZBOCLSA-N 423.387 1.147 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@]2(=O)CC[C@@H](CN)C2)OC1(C)C 2282869764 IBMRLYWGUHVAKX-FTJNGKRUSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CC(=O)O)CC3CC3)c2)OC1(C)C 2284400644 XKAIDQSJVCEIQZ-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)C(=O)O 2284403590 RJZBVZNHIJKMIF-JTQLQIEISA-N 403.331 1.825 30 10 HDEE Cc1cc(S(=O)(=O)NCCCCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406746 BXLACEGEVDSWFN-UHFFFAOYSA-N 403.331 1.889 30 10 HDEE CCC[C@@H](C(=O)O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284408620 YGMQDTPURPSNEV-LBPRGKRZSA-N 403.331 1.921 30 10 HDEE C#CC(CO)(CO)NS(=O)(=O)c1c(Cl)cc(Br)cc1Cl 2290344793 VHZPVBKTDDHTTE-UHFFFAOYSA-N 403.081 1.391 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2304809550 MJDQAGPYMYFOAW-HUUCEWRRSA-N 423.294 1.912 30 10 HDEE CN(C)c1ccc(C=CC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 2323154041 NRTKCINBYLHLBH-UHFFFAOYSA-N 409.446 1.987 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCCNS(=O)(=O)c2ccc(C#N)s2)C1 2337141995 KBQXGFIKKLSFDF-UHFFFAOYSA-N 401.510 1.924 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338636975 CLTKYUBNOQASRJ-ZIAGYGMSSA-N 400.522 1.452 30 10 HDEE C[C@H](C#CC(=O)O)NS(=O)(=O)c1cc(Br)ccc1Br 2341191195 YWPZQKRSBXSBNX-SSDOTTSWSA-N 411.071 1.966 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2363642872 FSSGXQCNPWFUIC-TXTKFYIRSA-N 416.518 1.983 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 2367796349 PUJIFWAETMJGEP-BEFAXECRSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](COC)NC(=O)OC(C)(C)C 2367800119 GVNMOHUMSOPLKE-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN(C(=O)OC(C)(C)C)C1 2367802756 DTYWIAVQMKOURL-OWCLPIDISA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367802771 DWPASEKLSCPSSC-CABCVRRESA-N 402.557 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367818342 VKJJTXYYEYIZKL-BZUAXINKSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367818349 VKJJTXYYEYIZKL-PMPSAXMXSA-N 400.541 1.292 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367821024 IJXATHYYTROAEC-YGTYGHESSA-N 400.541 1.148 30 10 HDEE C#CCNC(=O)CCNC1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2371314495 PIRNEGHJUOLPFH-UHFFFAOYSA-N 415.490 1.798 30 10 HDEE CC1(C)CC(=O)C(=CN2CCNC(=O)[C@@H]2CC(=O)OCCc2ccccc2)C(=O)C1 10120773 OHFOMNOLFLBYDN-SFHVURJKSA-N 412.486 1.805 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)C1 23258742 CLPWJVRHZLZWJI-QFIPXVFZSA-N 413.566 1.149 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)c1 28737519 MICQVKVEZFBNJC-UHFFFAOYSA-N 423.498 1.661 30 10 HDEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 410074245 KCMJSIJQAWWNTL-OAHLLOKOSA-N 411.480 1.357 30 10 HDEE CCOC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2S(=O)(=O)c1cnc(C)c(C#N)c1 427792414 IGXSPJYCNOXLML-LBPRGKRZSA-N 414.443 1.974 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1-n1cnnn1 438452342 WCHSITAIJKRXAD-UHFFFAOYSA-N 405.422 1.292 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 442752116 DCKMLCJGZRTFQT-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE CC[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(=O)N1CCOCC1 446627054 DPHRMHGYERYFPY-DAWZGUTISA-N 415.494 1.580 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CC 447282924 MKPZUSJDSXJOIU-JTQLQIEISA-N 423.336 1.544 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472059038 SQIWYWIDOLEUOP-KRWDZBQOSA-N 423.521 1.719 30 10 HDEE CS(=O)(=O)c1ccc(-n2nnnc2C[S@@](=O)Cc2ccc(C#N)c(F)c2)cc1 478355077 AICYOUNVGVFVOC-MHZLTWQESA-N 419.463 1.525 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2cccs2)C1 483094132 XDOULVFEPUFZFF-BBRMVZONSA-N 405.501 1.887 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502165430 IWVRXAMJZCBIPP-HNNXBMFYSA-N 411.506 1.334 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC1 505011999 AIUKIOYOORDBKT-UHFFFAOYSA-N 418.519 1.952 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C[C@@H]4CCCCN4C)CC3)CC2)o1 530283149 VDGKAIXCRVSSQA-IBGZPJMESA-N 414.554 1.700 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 538118727 KGOAKMGDRJKLSC-MOPGFXCFSA-N 402.543 1.103 30 10 HDEE C=CCOc1cccnc1C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 539371858 NLXYPAUBIUUTMJ-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544849601 ROSBIGTWTQBKDD-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 555254965 ZIIKUAKXGUZUQC-AWEZNQCLSA-N 407.544 1.582 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2F)c1=O 556782163 ZWJKXIJIEYJIIJ-UHFFFAOYSA-N 422.485 1.952 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 572017981 ITOBOTUOWMBSBL-IHRRRGAJSA-N 401.558 1.127 30 10 HDEE COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(Cl)c1 577311649 IIHKQVXBAQDVJB-UHFFFAOYSA-N 407.879 1.857 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 583775708 ZTDWLLSYYGOHOA-HNBVOPMISA-N 411.458 1.086 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)O[C@@H](C)CC)nc1C 586300869 BOZJBFFFNZQHOG-RSNKEIGGSA-N 402.494 1.823 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(Cc3nccn3C(F)F)CC2)cc1 608890677 KOIARLLNUGCJJR-UHFFFAOYSA-N 402.405 1.224 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 610620809 LSSHAODDUJHJKC-APWZRJJASA-N 406.552 1.733 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)cc1 616176308 YKPFYSPJHJFASB-UHFFFAOYSA-N 414.365 1.712 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccoc2)c1=O 727415421 OUNFIMQWKGRQEW-UHFFFAOYSA-N 410.451 1.544 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 732465121 CNXAXAOAXKXYEJ-CMTMBAJVSA-N 417.853 1.271 30 10 HDEE COCCOc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706479 KXKZGAXSWAPJSR-AWEZNQCLSA-N 406.870 1.502 30 10 HDEE C#CCN(C(=O)[C@@H](C)Oc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 732756105 AUTJAGBSXBUKNR-CHWSQXEVSA-N 400.294 1.865 30 10 HDEE COc1ccc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C#N 746773583 XKINLOYZTPUGHW-AWEZNQCLSA-N 406.450 1.425 30 10 HDEE COc1ccc(COC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1C#N 747091194 YBLGRBJPUIUXFM-UHFFFAOYSA-N 409.446 1.529 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 750640370 HAOGHDWBBSTBKC-UVTIVQHFSA-N 417.853 1.271 30 10 HDEE CCc1c(C(=O)O[C@@H](C)COc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754543505 ZVDPXDMZUUXDOG-ZDUSSCGKSA-N 422.441 1.691 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCO[C@H](C(=O)OCC)C2)nnc1-c1ccco1 765643317 TWQJNAUXZUXXAX-HNNXBMFYSA-N 420.491 1.997 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)c1 766993342 JXWYKYKCIDLQRT-UHFFFAOYSA-N 424.438 1.734 30 10 HDEE C#CCN(C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 774156742 PGWAQJRPSPNHBT-UXHICEINSA-N 419.547 1.200 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n[nH]2)C1 787349333 YFKXFMZAHMFFPG-GDBMZVCRSA-N 414.510 1.946 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790236166 VLYSNTPRMDPIND-GOSISDBHSA-N 401.529 1.436 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 791819623 FBOCTZVLRHHQDV-KRWDZBQOSA-N 403.501 1.025 30 10 HDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124569 JWHXDMPVMCDBBW-UHFFFAOYSA-N 411.212 1.789 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)OCC2(C#N)COC2)cc1 811045428 BPZJEICAKJIOFZ-KRWDZBQOSA-N 406.460 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCCO2)CC1 812271908 XYQHJZWXKDLAOQ-IBGZPJMESA-N 411.506 1.801 30 10 HDEE CN(CC(=O)Nc1sccc1C#N)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192638 NTCVKYSEKGJFTO-UHFFFAOYSA-N 421.523 1.569 30 10 HDEE CC(C)[C@H](NS(C)(=O)=O)C(=O)Oc1ccc(C#N)cc1I 1128553184 QCNVHBHHVMJROA-LBPRGKRZSA-N 422.244 1.642 30 10 HDEE CN1CCC(O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1136990839 BXOQQXCOWBSNMY-UHFFFAOYSA-N 407.312 1.330 30 10 HDEE COc1cc(CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C2CC2)ccc1O 1137469962 BCDFXWXMESYOQW-UHFFFAOYSA-N 415.471 1.742 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc1 1141168634 WOZSVEANCYKXDW-OAHLLOKOSA-N 400.522 1.190 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnc(N)o3)C2)s1 1149318970 RMGFVYSDEXADJP-LLVKDONJSA-N 411.509 1.126 30 10 HDEE Cc1ccc(-n2cnc3c2CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C3)cc1 1156591207 BEMDNVGNLZGKIX-UHFFFAOYSA-N 404.430 1.290 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)cc1 1160881102 PXYDDRJFYPEMGO-AWEZNQCLSA-N 400.460 1.059 30 10 HDEE O=C([C@@H]1CCN(Cc2ccccc2)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1161801687 APYCPWJCRGGNII-LJQANCHMSA-N 421.453 1.939 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(Cc3cn[nH]c3)CC2)cc1Br 1162352774 DDJRCJCVXFISSJ-UHFFFAOYSA-N 404.268 1.767 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@H]1CCOC1 1179342731 YPIZHLODUZXCLA-ZDUSSCGKSA-N 403.464 1.302 30 10 HDEE C[C@H](CC(=O)Nc1ccnn1C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1180189596 NWJBPWWKIVVSFX-CYBMUJFWSA-N 417.491 1.690 30 10 HDEE CC(C)(CCS(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1186471229 HXZWQUAAPKOSQW-UHFFFAOYSA-N 414.553 1.055 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C[C@H]3CCCCN3C2=O)c1 1192884719 NHZJASBPNAGKES-MRXNPFEDSA-N 406.508 1.171 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)C(=O)OC 1193582003 SEAXDMAZKKZRNO-CQSZACIVSA-N 422.500 1.764 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1251789870 NIKPBPVOCLHGBL-HMWBCQRISA-N 405.499 1.095 30 10 HDEE N#Cc1ccc(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)nc1Cl 1266367119 LKVLFNQJNTZJRR-CYBMUJFWSA-N 410.817 1.744 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@@H](C)C(=O)NC(C)(C)C)CC1 1278170007 VSLQMHIAPWRLHJ-LBCBGTHCSA-N 401.551 1.639 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1286301374 CWIPCAKGVVPWPZ-KRWDZBQOSA-N 408.506 1.565 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1286467246 SAQGJBAZUVAQKF-IERDGZPVSA-N 402.470 1.634 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1ccccc1F 1286779219 QCDAJYJLOGJAKZ-UHFFFAOYSA-N 402.474 1.537 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1286784377 GCDHAHNZNSQPNG-UHFFFAOYSA-N 422.489 1.505 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286790135 CGGUTGLZIQRNDL-QGZVFWFLSA-N 404.559 1.470 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286791915 HDVRVLUXEMDFPX-HDICACEKSA-N 415.494 1.318 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NC(C)C)C1 1286809321 RHDIGFAFJZSHQR-CQSZACIVSA-N 416.482 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286818983 VLQMXBVWHOMZRH-LSDHHAIUSA-N 406.512 1.340 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1286960588 HRKBSVMBZCCAEJ-WHSLLNHNSA-N 418.542 1.829 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)c2)c1 1287915301 RZBUUADJQMNGLN-QHCPKHFHSA-N 421.453 1.495 30 10 HDEE Cc1ccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1289613109 KNYPGFPJGPJGIC-FBMGVBCBSA-N 414.491 1.926 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCN(C(N)=O)CC3)C2)C1 1292554064 DPJDYKKQEBHRSR-RDYUPDBUSA-N 405.499 1.386 30 10 HDEE CCOCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1293098972 CUYKALMSDPBTEH-WUZYXKQASA-N 420.554 1.954 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c(-c2cccnc2)nnc1N1CCC(C#N)CC1 1297735800 GAYMYUXZQLMDSB-UHFFFAOYSA-N 417.539 1.752 30 10 HDEE CCSc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccn1 1297838961 DRSFUERLEFFLKX-HUUCEWRRSA-N 413.507 1.513 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1299786629 SLBXWQHGISHMCM-NRFANRHFSA-N 413.478 1.759 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)c1 1300193584 AQUHEWSDQPQPKB-CQSZACIVSA-N 401.444 1.315 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1300509516 NYMBKBYHIPRLGP-INIZCTEOSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1300538963 WFYGONVCAIKDDS-INIZCTEOSA-N 418.469 1.774 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1300603314 YYJXIBXFMWKWOB-NSHDSACASA-N 413.454 1.124 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)OC)CC1 1300709018 ZWKCJEDRILTRIP-HNNXBMFYSA-N 402.524 1.060 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300992081 TUZGSUNTPACWMY-HUUCEWRRSA-N 417.470 1.091 30 10 HDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C1CCOCC1 1301133909 SGNKKUQQUAFABD-CQSZACIVSA-N 408.505 1.441 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1301176788 LDZPABFNNWNJKB-NRFANRHFSA-N 421.509 1.979 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(COC)CCOCC1 1302099285 UETOQCOMAWIQMF-SJORKVTESA-N 423.514 1.174 30 10 HDEE CC(C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302363527 GFWUHMJFEKDFLQ-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE CS(C)(=O)=NCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1303894708 YMRAOWQZXPKJQM-UHFFFAOYSA-N 414.553 1.129 30 10 HDEE Cn1ccnc1[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1312626111 LOYDSOFMAOCIJQ-CABCVRRESA-N 420.395 1.995 30 10 HDEE N#CC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCOCC1 1313404730 GQFUMMQQVAFMMN-OAHLLOKOSA-N 421.295 1.952 30 10 HDEE CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)c(Cl)n1 1354113683 KWMRMRZDBZQOCT-SFHVURJKSA-N 411.893 1.852 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cc2Cl)cc1 1355127635 ZUVFROCIESKXFO-HNNXBMFYSA-N 419.846 1.856 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2CCC)CC1 1358761636 RJGQTMOQKTXDPZ-KZEVZHLLSA-N 402.535 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1358889320 AFRGCJWLUQXGKA-BZSNNMDCSA-N 407.584 1.903 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1358913408 NMHAWOHXNHWBFA-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358961986 IAYLBCGGTMPAHT-RDJZCZTQSA-N 404.492 1.788 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)F 1358982833 LYVZUVYWIODYBI-UHFFFAOYSA-N 405.380 1.450 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(C(=O)NCC)c1 1359024152 GKSCCLBEZWVQKK-IBGZPJMESA-N 411.506 1.666 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CC2)C1 1359323682 VBEXPFRWXFCDHM-KRWDZBQOSA-N 417.535 1.622 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1359343462 UBTOIOBYCNSGLL-CVEARBPZSA-N 414.597 1.962 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1360338329 BOLVBRLCGYVRPS-VAMGGRTRSA-N 420.489 1.239 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1360487761 RFGAMKLAAKSTFN-DOTOQJQBSA-N 418.505 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nn2)CC1 1450274827 XEWFLJPYGVSTOR-UONOGXRCSA-N 422.486 1.350 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2ccccc2)[C@@](F)(CO)C1)c1cc[nH]n1 1450437135 POHCRKNRXHMVIY-YWZLYKJASA-N 418.425 1.020 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)O1 1453415366 CPUJJGNXPBLHJB-QAJKGHRQSA-N 421.494 1.562 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN3CCOC[C@@]3(CO)C2)c1 1460851911 WLOTXTZFXVWZNY-UGKGYDQZSA-N 400.523 1.318 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CCOCC1 1461711624 MUAUQDHNGPTFDW-FTRWYGJKSA-N 420.531 1.643 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3ccnn3)CC2)s1 1466139200 QUMCHLHAJBFTMV-UHFFFAOYSA-N 409.537 1.285 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1468557697 IQGOYWNFKSOTBP-HNNXBMFYSA-N 418.427 1.785 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2 1469876116 BBTPYDOLXIVDNV-MUUNZHRXSA-N 407.488 1.759 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1471585683 WYNHBFGVPGWYBM-LBPRGKRZSA-N 419.297 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCc1cncc(C#N)c1 1471967540 MREPDRIDAINGRI-INIZCTEOSA-N 401.467 1.475 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCC[C@H]1C#N 1473707007 GXUAVVXGZLZTMU-MAUKXSAKSA-N 406.508 1.270 30 10 HDEE Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1492721670 FWRANSDWGIKXJR-SWLSCSKDSA-N 405.528 1.317 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1504999430 NNBDPPZPZLGLJD-APWZRJJASA-N 418.542 1.605 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1507544807 CLZVNPKMBFAZNM-LIRRHRJNSA-N 422.482 1.004 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507559525 QYGQMCOOYJJJDV-MRXNPFEDSA-N 405.528 1.000 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1507619651 VAAYIUCNMSZWIV-UHFFFAOYSA-N 411.506 1.800 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507631139 BNMLIMWLUWCZQZ-BRWVUGGUSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](OC)C(F)(F)F 1507659549 ZHBIAWUKNAAXOY-HNNXBMFYSA-N 411.428 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)COC 1507667500 NIIXYXINPFJSCQ-QGZVFWFLSA-N 418.501 1.937 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)c1ccccc1 1507677857 MYMUMGMADRSRTE-UHFFFAOYSA-N 403.508 1.350 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CCOC)C(=O)C1 1507796446 HXVMAXYNEGYACV-MJGOQNOKSA-N 403.527 1.822 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1507971091 QKNZDLYBJOBLAC-FQEVSTJZSA-N 404.515 1.905 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507984220 ZQQHJPWLWWPHAP-OWCLPIDISA-N 422.555 1.056 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1508010106 KWNKHXDYYDBLIC-XLIONFOSSA-N 424.567 1.932 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1508018468 TXZKOCNLIBSJEM-OAHLLOKOSA-N 401.467 1.990 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513034961 GQEJOHYKWSGARU-VFAFWLKOSA-N 415.542 1.848 30 10 HDEE CCOCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1516421080 CUUKFBZQEOREPZ-MRXNPFEDSA-N 406.531 1.988 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cn1 1517368977 DNAFXWQXQMJWQV-IBGZPJMESA-N 417.539 1.633 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCO2 1519161811 AYYRWVGZGDXZRL-GOSISDBHSA-N 424.505 1.969 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1519166514 HYQWYMJMDMEBSK-INIZCTEOSA-N 418.523 1.531 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1535097989 MEGIWSHHMLDSAE-PBHICJAKSA-N 412.483 1.850 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1539002839 IHPNGOVSLJPVKO-OAHLLOKOSA-N 416.489 1.915 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1539265541 HOXUXYYCMYPUFK-CYBMUJFWSA-N 420.482 1.549 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@@H]1C(=C)C 1539396856 SBZNOIGYSVICKB-IEBWSBKVSA-N 424.505 1.993 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ncn(C)n2)CC1 1539451956 GUDHHCBWXVTOTD-UHFFFAOYSA-N 412.448 1.079 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1539626561 FIWQWYHZYRNQIS-VKJFTORMSA-N 424.496 1.598 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1539744056 CISVDTVTVVCYGZ-QGZVFWFLSA-N 412.494 1.557 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1539744881 ZDMOEYVTGPKIIC-QGZVFWFLSA-N 404.515 1.269 30 10 HDEE C#C[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1539809043 ZTOIOTZFAFILMM-IBGZPJMESA-N 420.531 1.428 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1540872555 SJGFSZKFQDUJJH-UHFFFAOYSA-N 414.485 1.173 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1545104484 RJUPUUOBQBNFRU-FXAWDEMLSA-N 410.522 1.889 30 10 HDEE CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)o1 1546937833 HILABDVPOFUJBV-TZMCWYRMSA-N 423.543 1.924 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1554434461 FIJWYLVKOBVHRM-UHFFFAOYSA-N 422.518 1.987 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CCO1 1554448414 PKWXLFIRSCMBTI-LJQANCHMSA-N 420.473 1.642 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1554516744 IDCIXEJXNLRDRL-SFHVURJKSA-N 405.462 1.988 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cs1 1557268173 XYLFYHGACORQKY-OAHLLOKOSA-N 422.532 1.922 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](n3nncc3I)C2)n1 1558107908 UTAODOJRHWBGKC-LLVKDONJSA-N 408.203 1.627 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncc(C#N)c1 1558450287 UXNXMSUPWMYTGH-KRWDZBQOSA-N 411.487 1.723 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)c2cccc(CNc3ncccc3C#N)c2)[C@H](CO)C1 1558733592 AJBJORZSORVXNG-RBUKOAKNSA-N 423.473 1.744 30 10 HDEE C[C@H](O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(F)F 1559838854 HIZQCGXYQNOBEP-ZDUSSCGKSA-N 423.420 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(CC(=O)Nc3sccc3C#N)CC2)C1 1560221691 DMHZKLRHNUAWGE-UHFFFAOYSA-N 405.524 1.795 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C(=O)OC 1561511921 HJHPOPLVZNTJPA-ZDUSSCGKSA-N 410.261 1.752 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 1561688784 TVAWLPLGGSUNQE-LJQANCHMSA-N 420.512 1.360 30 10 HDEE CCC[C@]1(C(=O)OCC)CCCN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1568429209 PNZASVIRTYBZPS-LJQANCHMSA-N 408.455 1.418 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1569725486 ZIUNMBSMBALNPI-GOSISDBHSA-N 406.504 1.847 30 10 HDEE COCCOC1(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCOCC1 1583114075 AIBHOUMINPSRDG-QGZVFWFLSA-N 405.470 1.852 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CCO1 1585431784 LEBODYRWFMGCHS-GOSISDBHSA-N 413.446 1.507 30 10 HDEE CC1(C)Cc2n[nH]cc2CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1586001181 MZYPRMUQWBWZIF-UHFFFAOYSA-N 401.492 1.449 30 10 HDEE CC(C)OC(=O)C(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1586125872 GYNSPONZWPARLC-OAHLLOKOSA-N 400.435 1.610 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2ccn(CCC#N)n2)C1 1586592689 KQHONZMPUMASHF-CYBMUJFWSA-N 411.484 1.159 30 10 HDEE C=CCC1(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CCOCC1 1586900627 GHIMDAFRTCIUAZ-HXUWFJFHSA-N 401.463 1.704 30 10 HDEE COc1cc(NC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c(F)cc1C#N 1587092389 LFPLRYCQGHDSNP-UHFFFAOYSA-N 400.322 1.978 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(CCC#N)CC2)ccc1Cl 1587542343 QPEZJKOWSUIRDF-UHFFFAOYSA-N 400.888 1.193 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588045511 MBQXPHDXWDJJKA-SFHVURJKSA-N 411.487 1.917 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](F)C1 1595538090 ZDWLYXUSPNGMEK-DOMZBBRYSA-N 411.441 1.690 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2ccc3c(c2)OCO3)c1 1596285346 PVENIIAXVWLZCN-UHFFFAOYSA-N 400.456 1.642 30 10 HDEE C#CCN1CCCN(C(=O)c2cnn(C(C)C)c2I)CC1 1618035135 ISDWGCLZOFRCBT-UHFFFAOYSA-N 400.264 1.850 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CCc2nccc(C(F)(F)F)n2)CC1 1620651241 CFHVAPNDDMJHNX-HNNXBMFYSA-N 412.460 1.662 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(F)ccc(C3OCCO3)c2Cl)CC1 1621494782 CQMXRULTPNSDTO-UHFFFAOYSA-N 417.890 1.110 30 10 HDEE C=C(C)COCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1622717068 GNWDJOXIQQATHN-PMPSAXMXSA-N 416.540 1.366 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@]23CCCC[C@@H]2NC(=O)C3)cc1 1622886886 XHNYZYXZMHCHSL-QFBILLFUSA-N 406.508 1.816 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1=O 1623668785 AXOQJHYYVWMBLA-UHFFFAOYSA-N 423.473 1.419 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4c(CC(N)=O)cccc4C3)cc2C1=O 1624164198 GHRYFZXULPZUAD-UHFFFAOYSA-N 403.438 1.695 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C(=O)OC(C)(C)C 1624523011 KIRFPNFXYHSUPW-LJQANCHMSA-N 401.507 1.874 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1625079514 GDPUNKYYQIOFOC-CYBMUJFWSA-N 409.389 1.584 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1628367493 YMHKVPKKYYWMES-OAHLLOKOSA-N 411.386 1.486 30 10 HDEE COC(=O)C1CCN(CCCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1632780573 XSPNHKBNRXWAPI-KRWDZBQOSA-N 424.542 1.965 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1633900096 UUJXQFAGXUBXHP-HNNXBMFYSA-N 401.467 1.301 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](COC(C)C)C2)s1 1634448041 HHIWXELCLBNBRB-CQSZACIVSA-N 402.538 1.407 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1cccc(Cl)c1 1637311590 HVQCDJFKMPWLKM-HNNXBMFYSA-N 421.906 1.488 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 1638393058 VOLQQLYXAWCJLF-GOSISDBHSA-N 412.490 1.873 30 10 HDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1638727903 CSBXWRDPGKQHOW-SFHVURJKSA-N 415.446 1.436 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1639961788 HOBOEYIFDFTIQI-AUUYWEPGSA-N 412.471 1.289 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1643167330 PEGTVLITMJJEGO-KRWDZBQOSA-N 412.471 1.785 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2SCC)CC1 1643372201 AQKWZDSLDHOQIG-UHFFFAOYSA-N 401.941 1.677 30 10 HDEE C#CC[C@@]1(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1643641111 IEGQWVLXXGAMEQ-NRFANRHFSA-N 416.478 1.693 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(=O)NCC23COC3)n(-c2ccccc2)c1C 1644311125 GSIWGNXVUIGXEF-UHFFFAOYSA-N 407.474 1.495 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1ccccc1F 1644831198 NUPVNSIPWHCVQD-HNNXBMFYSA-N 419.478 1.364 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)n(-c2ccc(F)cc2)c1C 1645777126 VSEYWUZVUCOHIE-CALCHBBNSA-N 409.421 1.248 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)Cc2c(F)cccc2F)c(=O)n1C1CC1 1652152091 HHHIYCFGICASNJ-LLVKDONJSA-N 402.401 1.551 30 10 HDEE COC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC1CCCC1 1653437453 XTYBUWIMNCGVEI-GOSISDBHSA-N 406.504 1.959 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(c3nccc(OCC)n3)CC2)c1 1657786512 DDFLZYYLDOIHNS-UHFFFAOYSA-N 422.489 1.717 30 10 HDEE C#CCN(CC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC)C1CSC1 1659368405 WXJBKXKZVCHDFY-UHFFFAOYSA-N 409.533 1.582 30 10 HDEE CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)nc1 1661442557 GBTZTHFWAWVXJK-UHFFFAOYSA-N 420.520 1.619 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OC 1664237438 ASKWRPYQUJNTOW-LLVKDONJSA-N 402.856 1.847 30 10 HDEE COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@H](C)C#N)C[C@H]1c1ccc(F)cc1F 1664575399 CECPDLKBUPCASN-BYCMXARLSA-N 401.435 1.489 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1 1668210625 VCYIDWRVZVOOQB-OAQYLSRUSA-N 416.478 1.084 30 10 HDEE C#CCOc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 1676654175 JMXDXMVYDOPELG-UHFFFAOYSA-N 406.486 1.847 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 1684032754 ZVHWITASBCFNQU-LJQANCHMSA-N 405.520 1.272 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1689826622 RHWZYYDMTJYIKV-STQMWFEESA-N 422.486 1.124 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1689965957 HPYWBURFOYWQBG-LSDHHAIUSA-N 406.483 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(C)O 1690006296 NDZPTLSVFKIATK-UHFFFAOYSA-N 400.504 1.582 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1690106509 YXFNHCCKZPMDAP-AVRDEDQJSA-N 414.506 1.791 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1690120223 MALNVEUXWWHSCV-HXUWFJFHSA-N 424.597 1.802 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1690125992 RJLHZAYZPZVXFQ-UHFFFAOYSA-N 401.536 1.189 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC)C(=O)C1 1690243799 PRKWTMJJORPIHP-LPHOPBHVSA-N 413.526 1.718 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nncn1-c1ccccc1 1690993131 FSKWSQWHEPIATJ-HNNXBMFYSA-N 407.482 1.641 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1691001347 HMSHPGWJIIJAJK-YOEHRIQHSA-N 424.509 1.967 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1691183077 RCVNWRYZUZKGDW-ROUUACIJSA-N 404.559 1.832 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)CC1CC1 1705504445 WTHYRJFJOIZBGK-PVAVHDDUSA-N 410.540 1.285 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705551712 CSTFSQHPYYOCMI-QZTJIDSGSA-N 402.543 1.184 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1 1705588797 KKCLTXHAKWEBSD-SFHVURJKSA-N 420.583 1.227 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(C)(=O)=O 1705626651 DOQZFDXWGWOAPX-UHFFFAOYSA-N 401.492 1.557 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705627737 OJZDGBRMCDVMFW-QGZVFWFLSA-N 424.567 1.616 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(Cl)cn1 1705628594 LBPFEANVGVRMTH-OAHLLOKOSA-N 405.886 1.995 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](F)C2)CC1 1705639193 IQZJDRHNKFHADY-GVDBMIGSSA-N 409.531 1.074 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705659495 YLLWXOAAZNZURW-INIZCTEOSA-N 411.535 1.571 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705746176 RCUSZGIZXSJNHQ-UONOGXRCSA-N 406.936 1.768 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC2CCCCC2)CC1 1705908454 QAAQDPCPAHSXOI-UHFFFAOYSA-N 404.559 1.819 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCS(C)(=O)=O)C1 1705922111 GKWSLGVPBANQDP-INIZCTEOSA-N 405.524 1.865 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722312587 GJHLPAZDDCMBBH-UHFFFAOYSA-N 411.510 1.250 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1722346547 SJLFUWUUUALRMW-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1722365445 DQALYFIJGHNKLT-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)OC 1722375579 PYDXVNUSXZFYCX-UHFFFAOYSA-N 400.504 1.846 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722378113 ARMCLXHTBPOYSQ-ROUUACIJSA-N 407.522 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC1 1722419505 AIQKHSAXFAINEW-INIZCTEOSA-N 418.519 1.471 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722456418 ZEYHOSRHZFKKSF-AWEZNQCLSA-N 408.553 1.158 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722603619 ZIUFVAOFGMIMCP-INIZCTEOSA-N 419.555 1.857 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1722661921 AODZGVGECYCJEV-MGPUTAFESA-N 414.535 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1722697001 CZCZDHDMCIRENT-UHFFFAOYSA-N 417.477 1.169 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H]1CCOC1 1722700072 VKOVADHBMUKLKE-AWEZNQCLSA-N 405.449 1.922 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@H]1CCCO1 1727568452 GQVHSRLLQSBLAA-QGZVFWFLSA-N 412.494 1.961 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1(SC)CCN(C)CC1 1730762378 FODBENYFKXWSBK-KRWDZBQOSA-N 422.599 1.976 30 10 HDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1730900040 HCECNAKJIZNROC-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1730953756 ALQZRNVTCVCEHT-OYSTVDSJSA-N 419.526 1.792 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(COC)CCCC1 1740532394 FNDXEJBKQQSONS-CVEARBPZSA-N 411.572 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740548944 AYEYXSXKVFAKIR-OXJNMPFZSA-N 402.520 1.185 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740673398 SODWAAIMIOBRLP-MRXNPFEDSA-N 407.565 1.671 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncccc2C)CC1 1740693079 SSTGKDKOOUBVGV-HSZRJFAPSA-N 424.549 1.826 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(C)noc2C)CC1 1740707619 JJBCTTBQORHJPS-UHFFFAOYSA-N 400.483 1.434 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1740717744 ZTNRHPYEAIHFDW-IAGOWNOFSA-N 423.608 1.221 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1740751677 NKJUREBZHMBDHG-WCVJEAGWSA-N 413.544 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC([C@H]2CCCO2)CC1 1740994702 VEBTWTDLIJOLSH-QGZVFWFLSA-N 412.556 1.811 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)N1CCOCC1 1741833323 FCTLAEAELZPHTB-DLBZAZTESA-N 423.521 1.204 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)CC1 1741988509 RXKXREKYWVPUIQ-IAGOWNOFSA-N 416.526 1.945 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748789318 YBZUQRRXFWWBGW-FQEVSTJZSA-N 422.533 1.938 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C 1748913915 BTSLSTVPTGJAMK-UHFFFAOYSA-N 403.508 1.286 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1748940456 LXQVILIFADHNKM-FHWLQOOXSA-N 403.527 1.720 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCCCCC1 1748948573 RQAYSIMYOCHCKP-UHFFFAOYSA-N 403.527 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(C)c1 1748950227 GFQNVHJPJJYBCQ-UHFFFAOYSA-N 418.299 1.904 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC2(F)F)CC1 1748995103 XTEMIJZDFKUAQT-QGZVFWFLSA-N 420.508 1.981 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCn2cc(Br)cn2)CC1 1749003194 AVGPKBJIVNSBMV-UHFFFAOYSA-N 420.315 1.212 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749042857 ALTCGEHXZMCFKM-FQEVSTJZSA-N 413.551 1.365 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C 1749141029 WOKOSGMSXCRWLU-FUHWJXTLSA-N 405.543 1.852 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1749155478 GLLZGVTZWWYDJD-IBGZPJMESA-N 404.559 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1749660416 OUCBWPBTUKNNPV-UHFFFAOYSA-N 405.506 1.651 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1749709198 OGEVLCKXIIAZQU-QZTJIDSGSA-N 417.514 1.475 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CC)C1 1749730452 FESUIQLYPIIEMQ-INIZCTEOSA-N 405.524 1.865 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1750083670 VONNKRAXYQRWDN-QGZVFWFLSA-N 412.494 1.394 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C(N)=O)cc1 1750118055 KQOVGRUKJBZUKF-JLSDUUJJSA-N 412.494 1.745 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCOCCCO)cc1 1750383072 OLZKWRQGVXDVJK-KRWDZBQOSA-N 412.494 1.308 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCO)CC2)c1 1750384962 WMXZRAPOZCLYJZ-SFHVURJKSA-N 411.510 1.538 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1752400942 FGOAXDHNGKSOSF-CALCHBBNSA-N 412.542 1.918 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760129619 TVGIFCPLQIPIOR-LJQANCHMSA-N 416.570 1.768 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760171242 JFWFHYNUBUDDFS-SFHVURJKSA-N 407.453 1.866 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1760178785 AEULUOIUHXYUCM-IRXDYDNUSA-N 405.499 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CC1(C(N)=O)CCOCC1 1760206959 SCPITGDHXBDAEB-UHFFFAOYSA-N 419.529 1.808 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1C 1760241038 MPTVCTJFGLJZFL-MRXNPFEDSA-N 408.441 1.185 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C/C=C/CC)CC1 1760266175 RGEUNZIEBIHQAZ-VQKOGROQSA-N 415.538 1.862 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)C(C)C)CC1 1760268427 JRVIWFDLVSKNPG-SFHVURJKSA-N 411.510 1.372 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1760294807 GXSREFOXCNTFSM-TWOQFEAHSA-N 421.567 1.477 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1760456151 IDQZQJHNAWWXKW-KGLIPLIRSA-N 407.496 1.351 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760465507 JHUKTAGDGFNDQE-OAHLLOKOSA-N 407.515 1.912 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OCC(N)=O)CC1 1760507474 IQLPRALPDHEVNI-UHFFFAOYSA-N 419.507 1.005 30 10 HDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1760507669 WVUCEMAMNBQTSN-UHFFFAOYSA-N 401.467 1.619 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1760833212 VYTGSOUNOHOWQI-GOSISDBHSA-N 421.505 1.400 30 10 HDEE CC1=CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1762179541 SWUZKKCFIAQNLV-MXLIYFDZSA-N 412.494 1.855 30 10 HDEE CCc1cnc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)s1 1764570552 HGJMVBAEBWRKAY-WUKNDPDISA-N 401.496 1.768 30 10 HDEE CCOCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCS(C)(=O)=O 1766251736 CGFAJXHENUIWMS-UHFFFAOYSA-N 403.508 1.900 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(F)c1 1770051327 MWKVOSVOODLHCC-ZBFHGGJFSA-N 419.457 1.927 30 10 HDEE COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1771082782 DOXWMKZAULZKRK-SFHVURJKSA-N 414.510 1.184 30 10 HDEE C[C@H](CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)/N=C1/NS(=O)(=O)c2ccccc21 1772833854 XSSVDSZIGMLWQJ-WZYMTQMTSA-N 404.536 1.635 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1853677126 FBYZGXZMMUNCPX-QZTJIDSGSA-N 419.547 1.723 30 10 HDEE COC1CCN(C2CN(C[C@@H]3CCC(=O)N(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1853794022 YGZUADKSHUUNCL-SFHVURJKSA-N 410.518 1.732 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O)[C@@H]1CCN(C)C1=O 1853828438 MDJCTHABAPRPBT-LSDHHAIUSA-N 424.423 1.950 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1=O 1854306510 QNYOAQLATABEKC-LSDHHAIUSA-N 408.499 1.721 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)COc2ccccc2Cl)C1=O 1854331442 XGTQOHQNNKQLQZ-HOTGVXAUSA-N 405.882 1.565 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)[C@H]3CCCCO3)C2=O)CC1 1854802827 KWUWVZSORBCFFZ-RTBURBONSA-N 411.506 1.552 30 10 HDEE Cc1ncc(CCC(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)s1 1854984681 GOGXHKPEQSQFAN-WBVHZDCISA-N 403.552 1.822 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cc(Br)ccn3)C(=O)C2)C1 1855072262 DWFNQIKZZIJTJV-AWEZNQCLSA-N 406.284 1.116 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@H]2Cc3ccccc3O2)CO1 1855321575 NRCLURYMNBPBEH-NVXWUHKLSA-N 400.412 1.410 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC(n4nccn4)C3)ccc21 1855410702 MXQQJQQIWMZQLI-UHFFFAOYSA-N 415.475 1.296 30 10 HDEE N#CCCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1855552408 DRCFSMQCVNLAAN-QGZVFWFLSA-N 418.519 1.062 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCCN(C(=O)C4CC4)C3=O)CC2)CC1 1855770041 MIUWXSKGCYTGPE-LJQANCHMSA-N 400.523 1.778 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)CC#N)C(=O)O2)CC1 1856212072 MYKJBRAJURXPHB-OAHLLOKOSA-N 409.439 1.796 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1856496896 RDLNSDFCZBLHSY-SFHVURJKSA-N 418.519 1.060 30 10 HDEE Cc1cc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)no1 1856581395 SUXWYWQEKALFDK-FQEVSTJZSA-N 407.474 1.722 30 10 HDEE C[C@H](C(=O)N1CCN(CCC#N)C2(CCCCC2)C1=O)n1nc(C2CC2)ccc1=O 1856627426 GIHNFJFVXBMHQY-MRXNPFEDSA-N 411.506 1.969 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@@H]1CCN(C)C1=O 1857050031 CWIZKXPEYLYZJA-DOTOQJQBSA-N 418.925 1.761 30 10 HDEE CCOc1ccccc1C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112119 RKYRQERIJMIYKL-GOSISDBHSA-N 406.442 1.856 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(Cl)nc3)cc2C1=O 1870153388 QYHSPEKENRFMQF-UHFFFAOYSA-N 407.777 1.665 30 10 HDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCN(CC)CC3)ncnc21 1873593135 GUJRJJRGGSPGIH-UHFFFAOYSA-N 413.570 1.831 30 10 HDEE COc1[nH]c(=NC2CN(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 1901385885 ZNPOTKGSTKSXHD-UHFFFAOYSA-N 405.304 1.843 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985095440 DQECGWOOVDGSDV-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE C=C(Br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c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247827103 FSMDFFURVKUEKW-AWEZNQCLSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2248403456 GQBSGMSUZIRKIM-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE N#C[C@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158113 ICXSMBZMNIISGM-BZUAXINKSA-N 409.464 1.368 30 10 HDEE C#CC1(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258179525 NSNKYFPFXBRYSN-MRXNPFEDSA-N 408.476 1.177 30 10 HDEE CN(Cc1c(Br)nnn1C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266735744 IZHFEJBGGGFWQM-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267711047 FINWHEHAQLXODB-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](C4OCCO4)C3)n(C3CC3)c2)OC1(C)C 2281809731 WQCHMAMNLKFRFI-AWEZNQCLSA-N 402.300 1.957 30 10 HDEE CC[S@](=O)(=NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(C)C 2282294108 RZWCROOXFCRDJD-RUZDIDTESA-N 402.347 1.966 30 10 HDEE CCCN(CC(N)=O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282310453 UEVTYTOYLZKYMZ-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CCN[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282321588 ZATUTNVMLXLJDT-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CCS[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282333201 LNSAQNWPMCCXRB-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC(C)NC(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338999 VKBDQIRQEUQOLC-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CCNC(=O)C(C)(C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341102 NQUYNOLZDVATLL-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC(C)(C)S(C)(=O)=O)OC1(C)C 2282496814 HWGHQWKHODBPEJ-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE COCC[C@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502599 NLEDOXOSGUMEEN-LBPRGKRZSA-N 404.363 1.534 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@](C)(=O)CCCCN)OC1(C)C 2282502848 QNXRFCSITAKPSL-RUZDIDTESA-N 422.403 1.573 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CC(CCO)C2)OC1(C)C 2282505858 KAXYWRIKCJVUDN-UHFFFAOYSA-N 401.359 1.628 30 10 HDEE CS[C@@H](CO)[C@@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282543573 LHPJRUPWUZMBOA-ZJUUUORDSA-N 403.741 1.215 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CC1(C)OCCO1 2282601593 GSCFQSKESYCYHO-CQSZACIVSA-N 407.320 1.721 30 10 HDEE CCN(CCN(C)C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282838706 SYVBWHKLTJJRKO-UHFFFAOYSA-N 402.391 1.928 30 10 HDEE C=C[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398532 ZBJWWIZCJLQQAH-LBPRGKRZSA-N 401.677 1.557 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(=O)O)C1CC1 2284404574 ALQKXQVZYOGLAK-UHFFFAOYSA-N 401.315 1.593 30 10 HDEE CC[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284416216 VOKOQNFCUDCOLJ-NSHDSACASA-N 403.331 1.827 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2290361401 INYUFCFGBCEBTB-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3NC[C@@H]4C[C@H]34)cc2Cl)OC1(C)C 2359282688 HZLVHJYLRVVOQR-JBLDHEPKSA-N 418.777 1.587 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)NCC12CC(C#N)(CO1)C2 2364275097 ZOTKSTKTSICFLT-UHFFFAOYSA-N 404.062 1.748 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365203105 HPNNOOICOPGQND-YGTYGHESSA-N 402.557 1.585 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2365203992 LIKKROHTYWDYQZ-SPYBWZPUSA-N 400.541 1.427 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2365206635 HWIPKAMWOQUZPC-OWCLPIDISA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2365212289 QZESGEJSUIOIKU-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CN(C)S(=O)(=O)CCCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2367623811 HSBDNOHYLXMJOP-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367789030 RETXDJHBIQVVKQ-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H]1COCCN1C(=O)OC(C)(C)C 2367793657 WOOGHESWCUURER-CVEARBPZSA-N 400.541 1.571 30 10 HDEE C[C@@H]([C@@H](O)C#CC1(S(C)(=O)=O)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2367802817 FKODNHIUPGEFLA-HOTGVXAUSA-N 400.541 1.259 30 10 HDEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1O 20834566 OEGDIMIQRJVIOB-OMCISZLKSA-N 420.480 1.856 30 10 HDEE O=S(=O)(N=C1NCN(Cc2ccc3c(c2)OCCO3)CN1)c1ccc(Cl)cc1 72471255 LRVVPXYEXLWPCQ-UHFFFAOYSA-N 422.894 1.766 30 10 HDEE COc1cc([C@@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)ccc1O 103127082 APCSXNCAMNJRKN-FXBHHXAOSA-N 419.455 1.893 30 10 HDEE C#CCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 111048196 SHHDBEUQDJMCTJ-GOSISDBHSA-N 405.520 1.229 30 10 HDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CN 118923543 XEXJOPLDBYLHLY-FQEYEYJUSA-N 419.518 1.291 30 10 HDEE N#Cc1ccc(CN2CC[C@H](Nc3cc(N4CCCC[C@@H]4CO)ncn3)C2=O)cc1 302861642 VMKXKGZKNFNGJK-MOPGFXCFSA-N 406.490 1.912 30 10 HDEE CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)C1 430383130 BTHYJKAOFXALQD-SFHVURJKSA-N 411.506 1.601 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(C#N)cc2C)c1 438987654 ULEYZHADSFWJKT-ZDUSSCGKSA-N 400.460 1.532 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 447759390 RUVXMNAHUONPBF-JOCHJYFZSA-N 404.426 1.951 30 10 HDEE COCCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc(C#N)cc1 460363877 QPEINOLMERAHDJ-UHFFFAOYSA-N 424.442 1.263 30 10 HDEE COCCN1CCCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1=O 468693387 IWHZYBKKPLXNSF-UHFFFAOYSA-N 415.494 1.534 30 10 HDEE Cc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 472362319 HZQVOORUMJLIJX-UHFFFAOYSA-N 413.503 1.520 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(OC)cc1OC 472621681 XUPQUFHSKCCGCV-KRWDZBQOSA-N 408.407 1.907 30 10 HDEE CC[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 474682243 KETVLFCYJLGRFF-KNKQGSTJSA-N 412.490 1.639 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 502553867 JBSYACBXOKKLME-INIZCTEOSA-N 406.433 1.392 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2c(C)nn(C)c2C)cc1 522529568 UWLQPIVKGTYEDL-UHFFFAOYSA-N 405.480 1.421 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 523181093 WHZGMRJVWQIXPY-HNNXBMFYSA-N 417.556 1.972 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 534756507 KAGZJRZUFKAIJD-RYGJVYDSSA-N 412.515 1.787 30 10 HDEE N#CC1(c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2)CC1 539674167 WOLAILSDPPZKNU-IBGZPJMESA-N 404.470 1.574 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 543309882 RLYUXTVFQHCRMU-INIZCTEOSA-N 410.434 1.786 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCOC[C@H]1c1noc(COC)n1 543657745 QEBXEUNYGRYKQK-HNNXBMFYSA-N 417.422 1.718 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(=O)n(-c4ccccc4F)n3)CC2)n1 546168461 GSMBFPHOEBIVPA-UHFFFAOYSA-N 404.405 1.601 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 546168725 USRCRPNOGXZPKG-MRXNPFEDSA-N 405.458 1.664 30 10 HDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 549246438 IRLFQSLUEDNXGL-UHFFFAOYSA-N 424.549 1.927 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C(C)C 550834342 FZTCBRTUQZCRCW-LJQANCHMSA-N 417.529 1.684 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 558071437 JNINIDJQCCWDQY-GOSISDBHSA-N 417.469 1.387 30 10 HDEE C[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1 561926272 ZIKYQAIPOZFEQR-BBRMVZONSA-N 404.492 1.319 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCNC(=O)C[C@H]2C)cnn1-c1cccc(C#N)c1 615507921 BUNVZJRERASKQN-CQSZACIVSA-N 408.462 1.372 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3ccc(C#N)cn3)CC2)nc(C(C)C)n1 730891604 ZKNYDEIALRUUAQ-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732465438 FFSDBFGYZDOBMN-VUAZUDAXSA-N 421.498 1.554 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 733674057 DBDGOEIFTJXEHD-UHFFFAOYSA-N 415.471 1.882 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735225020 FQHLKXMJMOURCY-MRXNPFEDSA-N 402.476 1.048 30 10 HDEE N#CC1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 747088643 DCYZKYYDNPFBEQ-NVNXTCNLSA-N 402.520 1.367 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2ccc(F)cc2F)cc1O 748038994 FDLUEIAGNGVRGQ-BMRADRMJSA-N 403.345 1.112 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCCn3cnc4c(N)ncnc43)cc2C1=O 748857810 QTAKBQNNQFYOHO-UHFFFAOYSA-N 406.402 1.438 30 10 HDEE CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 749645022 IONXTPRCCGPZKY-OAHLLOKOSA-N 404.492 1.006 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758640508 HXUSXILLXUSTKJ-WDEREUQCSA-N 403.892 1.419 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)cc2)C1 760299029 HNYKDJIDDOJQKG-HOTGVXAUSA-N 417.535 1.866 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(N3CCOCC3)CCC2)n1 761053202 DZNGKQWIZNKFTJ-UHFFFAOYSA-N 420.564 1.994 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 762312470 CPAMYIHGDGGICW-KSSFIOAISA-N 417.462 1.964 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CCN1C1CC1 763387888 NVTCWKXHJMHZRI-OAHLLOKOSA-N 406.483 1.423 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NC[C@@H]3CCCN(CC#N)C3)C[C@H](C1)C2=O 768715431 FAGNHEJHTFIDGR-OOKSDGMUSA-N 418.538 1.800 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cn1 772280152 UUMNPDMXASSRPY-UHFFFAOYSA-N 421.457 1.117 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCCC[C@H]1c1noc(C)n1)c1cc[nH]n1 772534568 BFOCXFXIOQLLPF-AWEZNQCLSA-N 404.427 1.529 30 10 HDEE C#CCN(C(=O)Nc1cccc(NC(=O)OCCOC)c1)[C@H]1CCS(=O)(=O)C1 774040848 WPMVIHKAMTWGBC-INIZCTEOSA-N 409.464 1.536 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774225387 JKMADXBPXKYOOZ-AZUAARDMSA-N 418.563 1.029 30 10 HDEE COc1ccc(COC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)cc1C#N 775909401 PCEZHIHVGRLDAY-UHFFFAOYSA-N 406.416 1.588 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 780204713 IBJVDZMWRBMXQW-IEBWSBKVSA-N 420.487 1.093 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(CC#N)CC2)[C@@H]2CCCO[C@@H]2C1(C)C 783637428 DAXKTIOXSYZFLQ-XFQAVAEZSA-N 406.527 1.753 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(Br)c(C(=O)N[C@@H](CO)CC=C)o1 792323200 IYYFVFNCYOHCIZ-WDEREUQCSA-N 401.257 1.376 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl)n1cnc(C#N)n1 798743769 KZYBAIJVBIHNBZ-SSDOTTSWSA-N 402.720 1.960 30 10 HDEE Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800727929 TVYVEPMKGBUAQM-NRFANRHFSA-N 420.565 1.356 30 10 HDEE C[C@H](NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 807977500 OZDMQANHJNRQFU-QMMMGPOBSA-N 405.343 1.693 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812026798 OPBKHEOXKDCMMN-HNNXBMFYSA-N 404.492 1.609 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1C#N 813704949 BOENPSASEOKTGX-JKSUJKDBSA-N 408.480 1.320 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)C1=O 1130165921 SWFHYJUHVDLOME-GFCCVEGCSA-N 422.363 1.923 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1nn(C)cc1I)C(=O)OCC 1132418273 OEBREMOCENERGR-VIFPVBQESA-N 411.627 1.829 30 10 HDEE C#CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C1CCN(C)CC1 1134043673 LOPRIMBYRXPKSY-QHCPKHFHSA-N 408.502 1.541 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2nc(C#N)cs2)CC1 1134255713 ADQWTSHNGKBWJN-UHFFFAOYSA-N 409.493 1.337 30 10 HDEE CCOC(=O)C1([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1134595187 MGTCRKJCEBMLKB-WBVHZDCISA-N 413.474 1.776 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 1135762388 IBEJZBQEBCCTPE-MRXNPFEDSA-N 403.483 1.031 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1 1135836389 LMARECNUHJBJHO-WOJBJXKFSA-N 406.490 1.022 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc12 1136477939 AUENFBULWVMCLG-UHFFFAOYSA-N 402.458 1.903 30 10 HDEE CC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 1150001332 YQBNYUCMGMHOEQ-SFHVURJKSA-N 400.479 1.912 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1163383147 CBYOHHWRDMWSLD-CABCVRRESA-N 417.510 1.809 30 10 HDEE COC(=O)c1cnc(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 1179664400 UHDFVUUQIGTLRP-UHFFFAOYSA-N 407.473 1.075 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196698281 PYHJZSDFQOYUDL-KRWDZBQOSA-N 415.899 1.862 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(CC(N)=O)CCCCC3)C2=O)cc1 1227632607 OPRQUVHUFNTPJQ-SFHVURJKSA-N 411.506 1.784 30 10 HDEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1235264124 CKJVIYFEGBTRNT-IRFCIJBXSA-N 418.563 1.723 30 10 HDEE C#CCN(C(=O)NCC(=O)N1CCCCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1251349296 DINQKFDJIDKDEE-QGZVFWFLSA-N 403.504 1.188 30 10 HDEE N#C[C@]12CN(C(=O)NCc3cc(Br)ccc3F)C[C@H]1CS(=O)(=O)C2 1251552416 DEUJKXOLWYLALI-XHDPSFHLSA-N 416.272 1.668 30 10 HDEE COCCn1nnc2c1CCN(C(=O)NC1CCN(c3ccccc3C#N)CC1)C2 1253866571 BSCLYHZQFZZINQ-UHFFFAOYSA-N 409.494 1.533 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccc(C(=O)OC)nc2)c1 1264809759 UKTIVRMZVLVFDG-UHFFFAOYSA-N 421.453 1.284 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@@H](C#N)c2ccccc2Br)c1=O 1280362497 YVXBAOQROZCHBU-AWEZNQCLSA-N 404.220 1.778 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286269407 DZQDHMRBSLIHQZ-HNNXBMFYSA-N 416.526 1.839 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1286274249 NAIZLVYHYOZUKG-SGMGOOAPSA-N 408.528 1.755 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1286372123 NUGMTPNQVCMYLH-LJQANCHMSA-N 410.522 1.482 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286392138 HWHOECVXPXDJMX-JXFKEZNVSA-N 408.568 1.654 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2)CC1 1286470876 DIUDPASFQXNBSR-UHFFFAOYSA-N 410.497 1.651 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCCCCO)CC1 1286476596 ZXRVVNCOYSKOTP-UHFFFAOYSA-N 411.506 1.982 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1286549192 WCBJXIVARDQFIM-PMPSAXMXSA-N 406.531 1.216 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COC)CC1 1286563225 VAGLRXOGHRVORX-VQIMIIECSA-N 414.510 1.549 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286687821 RNNSAIDYEZMSKF-SQNIBIBYSA-N 402.543 1.742 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 1286716344 LIJWZERJUNMSBA-OTWHNJEPSA-N 421.542 1.116 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C 1286760180 KNLUDGVDTOGULD-YWZLYKJASA-N 417.535 1.988 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1286778735 DZHFIOOIBRRZFT-YOEHRIQHSA-N 414.441 1.588 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1 1286787025 APUCVKLFXBYJAL-NVXWUHKLSA-N 417.535 1.680 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCC)C1 1286819019 WVKCLUWEQWPIRY-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCOCCCO)n1 1290626083 UJGYNRRSAWAEGW-UHFFFAOYSA-N 401.515 1.669 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCCN1CCc2ccccc2C1)c1cc[nH]n1 1290841437 LUXLHPRPRZBTCK-UHFFFAOYSA-N 413.478 1.258 30 10 HDEE N#Cc1cn(CCC(=O)N2CC(Cc3cccc(OC(F)(F)F)c3)C2)c(=O)nc1O 1294525841 DNJHMXWQGQYUDP-UHFFFAOYSA-N 422.363 1.810 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 1295020332 RRSYAHJURONCKN-OALUTQOASA-N 423.510 1.621 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1297322538 NVAVDXBZZOUJRO-SQNIBIBYSA-N 404.898 1.862 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1297696209 HMHROBFMFQWTFH-CQSZACIVSA-N 419.507 1.747 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1 1300372346 QNBSIGCGHUKWCP-UHFFFAOYSA-N 413.526 1.238 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CC1(N2CCCC2)CCOCC1 1300432166 RYDCXAUTBNXBJR-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1300459015 OUTOUAFPPRYXCP-KRWDZBQOSA-N 410.503 1.484 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300482302 DRCFSNZHRQWCGU-IEBWSBKVSA-N 407.584 1.725 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCC[C@@H]2C)CC1 1300727428 XKXXIWPJVUGWLE-SFHVURJKSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](COC)C1 1300777743 BOUSZBPYTCBGSZ-XSLAGTTESA-N 424.567 1.609 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@H]1C 1301498168 JYISAHUJGINDCM-CJNGLKHVSA-N 412.469 1.794 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)C1 1301558467 VWXRGEHEUHIMHD-ROUUACIJSA-N 417.535 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301578361 YGNBIJUNWBGREM-JKSUJKDBSA-N 421.523 1.181 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(SC)c1 1301806351 DMTBAOOVZRUNCB-OAHLLOKOSA-N 415.523 1.761 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1303635248 CKFLYKRCUQLBRU-CABCVRRESA-N 401.515 1.616 30 10 HDEE NS(=O)(=O)C[C@@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1308005800 AWQMREQMYJGGPS-INIZCTEOSA-N 417.453 1.316 30 10 HDEE CCOC(=O)c1nc(N)nc(N2CCN(CC#Cc3ccc(Cl)cc3)CC2)n1 1308131662 HQDSADPADITVPU-UHFFFAOYSA-N 400.870 1.458 30 10 HDEE C[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)[C@H]1CCNC(=O)OC(C)(C)C 1312660991 HYQLIGJLNILALW-CABCVRRESA-N 405.503 1.875 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1OC 1316330132 FQAHMDTYFGQYOD-LLGFUMIMSA-N 410.478 1.145 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)C1 1316531274 IFGYGCXPDXHCAY-GOSISDBHSA-N 416.486 1.546 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1323718767 OYFLRQQSQQXMQQ-GOSISDBHSA-N 403.504 1.762 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2c3c(nn2C)CCC3)cc1 1350774964 XGFKGPGISVTIJM-XLNRJJMWSA-N 401.492 1.974 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 1352234460 DNFHSMJMJNYKLD-KRWDZBQOSA-N 424.461 1.858 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1358872402 UIGITQPYVXHRBM-CABCVRRESA-N 418.523 1.375 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC 1359011768 LENIZMTZRGMNSV-UHFFFAOYSA-N 400.508 1.411 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359053821 ZFLIIZDHVPXGRO-QGZVFWFLSA-N 408.487 1.824 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359238499 MXEFSOPXQSUWLO-HOCLYGCPSA-N 400.458 1.335 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(N2CCCCC2=O)CC1 1359303200 HFWXZKRSUHSYLG-UHFFFAOYSA-N 400.527 1.514 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1C(C)(C)C 1359305546 GJVFUBWJGDGUDL-UHFFFAOYSA-N 414.558 1.324 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1359323692 VFKXKHLNGGHDRN-ROUUACIJSA-N 410.522 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1441248763 RHJLCKVNBASVAG-HNNXBMFYSA-N 416.482 1.543 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CC#N)cc2)cc1 1452266375 FBNKIPJLDMAHGF-UHFFFAOYSA-N 415.471 1.524 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3Cc4cccnc4NC3=O)ccc2c1=O 1455336290 FMNKOCUYONYYCD-OAHLLOKOSA-N 407.455 1.559 30 10 HDEE CCc1ncc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[nH]1 1456140511 DMABUUCGROWFAP-UHFFFAOYSA-N 403.508 1.887 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1456612081 IOQDAQRFNHFZSE-NXEZDXNNSA-N 411.524 1.467 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)C1 1457261133 FMKKPTNJSCASTD-SWLSCSKDSA-N 408.296 1.206 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(F)cc(Br)c3F)C[C@H]1CS(=O)(=O)C2 1462999456 RTGPQFJKUVCCLL-RTHLEPHNSA-N 405.220 1.738 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1464921134 CHOJDNXJHCLESU-AUVQNDJMSA-N 406.483 1.713 30 10 HDEE C#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1468178625 ITLPLBGGTNXFKE-UHFFFAOYSA-N 400.456 1.424 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OCC 1471118398 NPQRICYGMPPJNQ-AAEUAGOBSA-N 403.863 1.847 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 1471527327 WUFWMVXQLHNPNO-QMMMGPOBSA-N 419.232 1.969 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(C(F)(F)F)n(C)n1 1471557189 MJIIYDYJBBGRAY-NSHDSACASA-N 408.388 1.521 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C(=O)OCC 1471584876 OZFQLCZJXDCHJA-KGLIPLIRSA-N 400.472 1.847 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1503552837 NMSJWUAZGHQNLV-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1503864129 SPZMNZVDRYTTHY-UWJYYQICSA-N 411.462 1.622 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 1505315906 UGDYHEKZXPHKSU-PBHICJAKSA-N 409.512 1.926 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1507605535 VNIRBPSTCZNDIO-OAHLLOKOSA-N 420.539 1.277 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCCn1cc(Br)cn1 1507608613 ONDUFLGYUDKGMN-UHFFFAOYSA-N 401.272 1.854 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC(O)CC2)C1 1508127571 LWOFBHKRQASOBM-RTBURBONSA-N 405.543 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](c2ccco2)C1 1508143019 WARQFUDNLMFQIG-JKSUJKDBSA-N 406.508 1.970 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CO)c1 1519276874 KUKFHWKOMHREEV-YWZLYKJASA-N 403.458 1.985 30 10 HDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1519807005 AIXBAYZYNVLONJ-CQSZACIVSA-N 421.548 1.715 30 10 HDEE Cc1nsc(N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1C#N 1525008074 JNWVJCBOSUMEKP-SFHVURJKSA-N 401.423 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1525467008 YSOZSAQRHOMKKP-TZMCWYRMSA-N 422.461 1.652 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 1531515693 CTDPPKQNWQKGDN-LPHOPBHVSA-N 423.535 1.551 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)CC1 1533374741 YSIUVCHZVUSBLD-UHFFFAOYSA-N 417.466 1.582 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2sccc2CC#N)cc1 1535037763 MGEWVXMFRFJNTG-UHFFFAOYSA-N 406.485 1.832 30 10 HDEE CC(C)CN(CC1CCN(C)CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1535870446 QKZAUKPAMPQCBL-UHFFFAOYSA-N 406.552 1.552 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OCC 1537004171 SFVMMPDKEDDSHC-INIZCTEOSA-N 410.492 1.176 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1539044818 JCWVBPANLZCCMY-SFHVURJKSA-N 402.543 1.521 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(CC)n1 1539094706 TVLNXWUKEIPQKM-CYBMUJFWSA-N 410.569 1.957 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539201707 BZPKCKJEDHBTAY-KRWDZBQOSA-N 404.540 1.395 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539226240 WDFHHDMIKPNKIG-CQSZACIVSA-N 413.425 1.453 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1539239782 QVRZSYTVZGVEJT-MOPGFXCFSA-N 418.501 1.881 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCc1cnn(C)c1 1539300658 WRGJFIQSNBMGEW-QFIPXVFZSA-N 410.522 1.759 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CC(F)(F)F 1539340098 DXQQTVZGMOFQJC-UHFFFAOYSA-N 409.416 1.879 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1539363581 SCYJFSDKUGKWRI-UHFFFAOYSA-N 417.539 1.176 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnn(C)n1 1539395733 IHHSFJYXNBJQIU-AWEZNQCLSA-N 414.445 1.215 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(C)COCCO2)CC1 1539475342 CDBCRFITOXNOES-JOCHJYFZSA-N 424.505 1.111 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)N(C)C)CC1 1539484118 CSFQJRSZHGXQQE-LJQANCHMSA-N 422.577 1.979 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C1CC1 1539538017 ACMLLPBUNHTORU-HNAYVOBHSA-N 408.572 1.365 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539759299 QMPHPWJKFUWEES-SFHVURJKSA-N 420.558 1.150 30 10 HDEE C=C(Cl)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1539774352 AXSYNJHIQYHGLJ-INIZCTEOSA-N 412.966 1.817 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1540602758 GGMDPDDFRPAUTD-HJWRWDBZSA-N 405.458 1.483 30 10 HDEE CO[C@]12CCC[C@@]1(C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CCO2 1540647570 AWVCZDAGYYQPKK-PMACEKPBSA-N 419.503 1.324 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540661028 JWSGRHWLVPVUGU-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCc1ccn(C)n1 1541637835 AOGIAHOAYCWGAX-UHFFFAOYSA-N 406.494 1.901 30 10 HDEE C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1544668369 UMYJZXTUQVFHNU-UHFFFAOYSA-N 409.552 1.963 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F 1545776529 GPGRDYXPMIKSSP-STQMWFEESA-N 424.452 1.934 30 10 HDEE CN(C)c1nccc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1546175389 OMXOANDLFFANOW-UHFFFAOYSA-N 415.295 1.929 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1547463787 IBDURTMLONDPIR-UHFFFAOYSA-N 416.499 1.542 30 10 HDEE CCNC(=O)C1(Cn2c(CC)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCC1 1547756981 ROXZLJJUDHNIAP-UHFFFAOYSA-N 409.494 1.682 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCc1n[nH]c(C)n1 1555631958 HTQYXWCKWCFNGO-AWEZNQCLSA-N 402.503 1.801 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1556381866 KWOYEZNZPMSNHF-FOIQADDNSA-N 405.451 1.305 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1557445526 AJNGCFWWJSXDSC-UHFFFAOYSA-N 409.584 1.171 30 10 HDEE Cc1cccc(CN2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1557760487 GBIMIEHPNGJVDK-KRWDZBQOSA-N 412.515 1.424 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1564772237 XIJPOLIRXHSCDC-OLZOCXBDSA-N 412.288 1.423 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)cc1 1564798042 AKQCSOYEGIKXHW-SFHVURJKSA-N 416.522 1.067 30 10 HDEE CCN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)CCn1cc(C#N)c(O)nc1=O 1565899379 GSOSXACMNQGCMP-SFHVURJKSA-N 409.490 1.581 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1F 1567952526 YMJXSUXXCCTYRV-UHFFFAOYSA-N 414.416 1.372 30 10 HDEE Cc1cnc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1583255439 DGKHCWAPZFMHHQ-UHFFFAOYSA-N 413.503 1.416 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1583611935 IZGOAYZGGZITMS-LJQANCHMSA-N 402.516 1.437 30 10 HDEE N#Cc1cn(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1585789791 QJYMXEFEHWEZQN-GOSISDBHSA-N 407.474 1.239 30 10 HDEE O=C(CN1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1)Nc1nncs1 1586187244 COKWZRCKVSTJTI-ZZXKWVIFSA-N 403.439 1.042 30 10 HDEE CN(C)CCNC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2C#N)cn1 1586388034 FLJXLQPFACWUAB-UHFFFAOYSA-N 419.283 1.447 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)CCCOc2ccc(C#N)cc2OC)C1 1586461037 FFXUSFYATUPKCL-JKSUJKDBSA-N 418.446 1.679 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)C2CC2)CC1 1587898074 FUXUKPBRJCVMKS-HKUYNNGSSA-N 415.538 1.911 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1588139028 KHTAMSRKVYIXIC-IDYZSHNDSA-N 418.563 1.848 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1 1588452595 UGBRMDYTUKNFQJ-UHFFFAOYSA-N 411.506 1.738 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1589060141 NLTNEJTWIOWUIT-GOSISDBHSA-N 415.567 1.946 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCS2(=O)=O)CC1 1594228945 DXYYHROEVBDIBN-UHFFFAOYSA-N 405.528 1.117 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1594761112 VAKSUKBDWOQNTJ-HUUCEWRRSA-N 414.535 1.951 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1594943346 PNTSNSGDFUMRCQ-OAHLLOKOSA-N 421.505 1.966 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC 1595114923 AWXSZZNFBNSUAO-GOSISDBHSA-N 419.551 1.914 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1595238997 CTTYWMGKRHCATB-JPYJTQIMSA-N 422.533 1.943 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC(C)CC1 1595297852 ZDGVCNMKXOCIAW-MSOLQXFVSA-N 404.559 1.988 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1595381795 WBUJAQYKOAQUDD-QGZVFWFLSA-N 410.526 1.444 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(Cn2ccnn2)CC1 1595523516 XCTYERDDCHMDHW-UHFFFAOYSA-N 424.484 1.895 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N2CCCc3ccccc32)c1 1597369788 FFHCVMYSLQNITQ-UHFFFAOYSA-N 415.446 1.832 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](CC)(C(=O)OC(C)(C)C)C2)C1=O 1598460055 XCTGLSGRWHGOJS-HXUWFJFHSA-N 407.467 1.324 30 10 HDEE CC(C)CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1607217551 JIMPQVJQWAPELS-WMLDXEAASA-N 416.523 1.393 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3ncccc3OCCCC#N)CC2=O)cn1 1611062251 GMACTCGNDZDOOY-HNNXBMFYSA-N 412.450 1.599 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)N(C)C 1611600551 ALKFTMROAUGAFN-INIZCTEOSA-N 423.521 1.490 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(C#N)o1 1614028976 VVRKGMANXLDHGA-CQSZACIVSA-N 403.450 1.730 30 10 HDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1615098062 DVUUZALFZXSTRO-FQEVSTJZSA-N 413.482 1.614 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C[C@@H](O)CC4(C#N)CCC4)CC3)C2=O)n(C)n1 1617139713 JNLXUZJCRVESEK-OALUTQOASA-N 414.554 1.286 30 10 HDEE CN(CC1CCCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1618081647 NVAJMOXAPFBILB-CZIZESTLSA-N 424.509 1.831 30 10 HDEE C#CCCS(=O)(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1622405930 UIRRXXFWKMKNPE-UHFFFAOYSA-N 415.556 1.567 30 10 HDEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nc2n1CCOC2 1623340098 FIYBBUNYDOMZOQ-UHFFFAOYSA-N 400.338 1.831 30 10 HDEE CCc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1CC 1624067637 ZGQUNYQRCOSPPP-UHFFFAOYSA-N 401.492 1.484 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)c1nc(S(N)(=O)=O)c2ccccn12)C(C)C 1628248935 GHGAJKALZPXJTK-INIZCTEOSA-N 405.524 1.410 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1628511367 WIVWZJUJPXUZKT-KBXCAEBGSA-N 422.279 1.107 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2C[C@H](C)O[C@H](C)C2)s1 1629167838 AMUYLOPPFJPIIJ-GASCZTMLSA-N 415.581 1.370 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1630988758 CMUYFQLUSUBTIO-QRVBRYPASA-N 417.531 1.479 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1634640368 CPDCCJBMQQRLMX-KTZABMDBSA-N 412.534 1.756 30 10 HDEE C#CCN(C(=O)Cn1nc2ccccn2c1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634817944 JFDBVYVGWZRQQG-UHFFFAOYSA-N 413.478 1.357 30 10 HDEE CC(C)(C)OC(=O)Nc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637512716 CUKAFELWWKRRCX-UHFFFAOYSA-N 411.418 1.865 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1637967037 WBKOOFAOTSNOOP-IRXDYDNUSA-N 407.511 1.389 30 10 HDEE C#CC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1642414988 IZYOROWJYMMEAU-GJZGRUSLSA-N 419.482 1.535 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 1644209927 LQLBKTWXQJARQI-HZPDHXFCSA-N 420.485 1.444 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@](C)(CO)Cn3cnc4ccccc43)CC2)o1 1647941780 JHWXDPWFXHYNKP-QFIPXVFZSA-N 422.489 1.988 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1661617670 YONGYVFUTOIERW-CVEARBPZSA-N 401.463 1.872 30 10 HDEE N#Cc1sccc1N1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 1663098459 HCXCQMUUWJUOJC-UHFFFAOYSA-N 405.427 1.889 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1663979826 PWPVSJSXGPHRJT-JOCQHMNTSA-N 424.466 1.998 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nccc(C(F)(F)F)n2)c1 1669755971 KQMYAXCXHSBATB-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)CC2)c1 1674054955 CEJONRKKIBCVLA-OAQYLSRUSA-N 423.521 1.653 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1674464166 BJNWBJILLLISKD-UHFFFAOYSA-N 409.508 1.498 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 1682028841 XRRNYASPHKTJID-UHFFFAOYSA-N 413.927 1.568 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)NCC3(C#N)CCOCC3)C2=O)c(OC)c1 1682196702 GLSNEUCOGSABRO-KRWDZBQOSA-N 416.478 1.424 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 1684365855 IIEJSPAZKVKSKQ-HXUWFJFHSA-N 418.519 1.126 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNS(C)(=O)=O 1689917982 MKFGUAIADPFCGT-UHFFFAOYSA-N 406.468 1.252 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1689991902 DRSWCDITIABOLA-YJBOKZPZSA-N 408.549 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1690000229 WLZGPCYMQWLNEB-UHFFFAOYSA-N 423.477 1.523 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1690080088 GKEYWYODTHKAOV-UHFFFAOYSA-N 404.474 1.636 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1690124784 UJSGWYYZKKTJET-WIYYLYMNSA-N 418.611 1.365 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCNC(=O)OC(C)(C)C)CC1 1690130812 NAKFPWPWOMGOJC-UHFFFAOYSA-N 402.543 1.901 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690180708 JVXSJYSUILAVER-HZPDHXFCSA-N 416.551 1.014 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1690309586 DTNKZYDUAIBSOL-UHFFFAOYSA-N 414.510 1.536 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690462743 NYCHOBWJDXQCIK-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1690727253 YJGQPJAQIFDSPB-GOSISDBHSA-N 404.471 1.307 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690744429 PAJVPNMJTCDZEQ-INIZCTEOSA-N 420.583 1.102 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O 1691015755 FXDFALDRMHZWAC-UONOGXRCSA-N 405.524 1.845 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2C[C@@H]2C)CC1 1692496676 WZYDFGIFVFAQND-YJBOKZPZSA-N 421.505 1.571 30 10 HDEE Cc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1693368778 LQZLNRUTDFGLPO-ZDUSSCGKSA-N 414.420 1.545 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697782193 RILFZCQHLJNTTI-IRXDYDNUSA-N 415.473 1.360 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCN(C)C1 1698057801 OGNIJGPGUXMXLU-QFIPXVFZSA-N 410.522 1.746 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1705476383 YYRCKUAZHROYGT-SJORKVTESA-N 411.510 1.373 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cccn2)C1 1705523127 LCHCDCCZVOBRJV-SFHVURJKSA-N 413.526 1.712 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCC1 1705589055 MUQFJCSAKIUEAM-ZWKOTPCHSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCOC1CCOCC1 1705589800 XELQKWHPDUJDEN-UHFFFAOYSA-N 401.511 1.465 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C 1705604195 HRPGLCGRFALALU-GVDBMIGSSA-N 411.572 1.799 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1705607234 WIGKJSXYJHVFNX-DLBZAZTESA-N 418.519 1.348 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C 1705664356 NEUKKRZFFFTWOS-HNNXBMFYSA-N 414.539 1.237 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CN(C)C2=O)CC1 1705785542 MCTGFNOVGWGGBS-XGHQBKJUSA-N 403.527 1.883 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1705872695 ICQKGNKPCBQDOA-IBGZPJMESA-N 406.483 1.812 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1706074913 GSEPSOUSVOTZJI-RDJZCZTQSA-N 416.551 1.890 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCSCC2)cs1 1707761281 LXGKSGTZWPSPAV-MRXNPFEDSA-N 419.580 1.411 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1709943034 MRFZJUGJVMMEHX-IAGOWNOFSA-N 421.498 1.815 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](F)COC 1710732877 WSXVXMXIKRXBEU-QGZVFWFLSA-N 402.474 1.997 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1711843474 CPTQQHPKCGIBBA-XOBRGWDASA-N 414.441 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1722293723 DUYHCUDKPDWQFL-ZBFHGGJFSA-N 407.496 1.019 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1722313752 CZXHIZLRNGSOGL-OAHLLOKOSA-N 421.505 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Cn2ccnn2)CC1 1722696947 VFPYWTNMAQONRF-UHFFFAOYSA-N 409.498 1.094 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722711355 DCTSIJPTZXEQMR-CABCVRRESA-N 413.482 1.053 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722740923 VTZGJBFRMVGQJH-BBWFWOEESA-N 422.599 1.694 30 10 HDEE CC(C)NC(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C#N)c1 1723627235 HCWNNLBOJBALNR-UHFFFAOYSA-N 411.510 1.839 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1723700604 GSOOIAULKNBOKW-RTBURBONSA-N 424.505 1.726 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726890041 UVFIIUBGEUGJOP-PFANNTFUSA-N 402.499 1.791 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1728542301 HMXDXHUUIPRRRQ-KRWDZBQOSA-N 408.466 1.554 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1)[C@H]1CCOC1 1729369829 PSKIXZGJTVMMGS-OXJNMPFZSA-N 415.519 1.822 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1729912661 XRWXWERAMBRXHC-ACJLOTCBSA-N 422.511 1.407 30 10 HDEE N#CCC1CCN(c2nnc(-c3cccnc3)n2CCCn2cc(CO)nn2)CC1 1731189330 GJKDHHCKAWMXEI-UHFFFAOYSA-N 407.482 1.644 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1740575579 PAOJCKFHPIQPKT-UHFFFAOYSA-N 422.537 1.534 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740579319 MSNBKHYHQIIINN-QZTJIDSGSA-N 402.543 1.377 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1740631147 PRKZAKZXROYZRA-ZDUSSCGKSA-N 418.548 1.343 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCN(C)S(=O)(=O)CC 1740637402 ANCXEPHFBRBHJT-KRWDZBQOSA-N 407.540 1.264 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2ccccc21 1740640313 KKYZQOYECAGKHE-MOPGFXCFSA-N 408.527 1.983 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N(C)C)nc1 1740644883 XTOZKQRSFZLYMX-ICSRJNTNSA-N 408.506 1.584 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740662224 PUNYIKRBYXUBLB-FUHIMQAGSA-N 424.615 1.858 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740890104 UCFLFWNJXBJDQG-WOJBJXKFSA-N 418.586 1.939 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)C1 1740968986 IQLSPMFCTLJGAZ-UHFFFAOYSA-N 407.478 1.570 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NCC)C1 1740970127 FGZAWFYQDIZANW-HNNXBMFYSA-N 406.531 1.360 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740995067 YPNYEPQBMPZKEL-HOTGVXAUSA-N 407.540 1.079 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741200598 YCJVEMDBYKHZHZ-YWMAMYRUSA-N 413.482 1.122 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1748658124 NRZCMTPEFNYWDN-GFCCVEGCSA-N 405.405 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1748665134 NYNOFDJEZYGFGD-AWEZNQCLSA-N 421.505 1.422 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1ccco1 1748785165 MRTDXXLZVDNQSA-UHFFFAOYSA-N 417.429 1.686 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748808196 AWFVVAKHNUJBCE-CQSZACIVSA-N 404.467 1.236 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1748825660 BSCJNHUSMSWPBM-KRWDZBQOSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1 1748845821 AXFBXEXEWUWCSV-RBUKOAKNSA-N 412.515 1.641 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OCCOC 1748847347 SPCQHRMVDGVYKM-LJQANCHMSA-N 409.490 1.713 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC=CO2)CC1 1748972425 INFDHKFLRQKTEW-QGZVFWFLSA-N 407.478 1.373 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCSC2)CC1 1749019060 JKPSMPPRGNSFBO-MRXNPFEDSA-N 405.568 1.924 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749217810 CEMWFMOJESZOJZ-HZPDHXFCSA-N 404.467 1.799 30 10 HDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749236012 YSAHHSXUHKAHGE-IBGZPJMESA-N 413.522 1.607 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)CC1 1749442036 YRAMSFWKXZWRKV-UHFFFAOYSA-N 416.432 1.981 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1)C1CC1 1749520059 YAYQFPYXMQCGSZ-CQSZACIVSA-N 407.540 1.381 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1749676369 NYPFCIVXRWWPHV-LJQANCHMSA-N 410.522 1.819 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1750532935 FXSXUCKNSJRWOZ-FQEVSTJZSA-N 415.519 1.603 30 10 HDEE Cc1cnn([C@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)c1 1751722155 GNVLHJYMCFJEOT-NXDJFEHLSA-N 410.482 1.459 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1752405118 POWSYQVBFWIBTC-APWZRJJASA-N 407.522 1.968 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1760173997 GPFFERLVDKSIKU-UHFFFAOYSA-N 406.465 1.831 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)c1ccccc1F 1760201934 NWPFRSHAVRRHMN-GOSISDBHSA-N 408.481 1.968 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1760232974 HEOSDINYBLFYSG-QGZVFWFLSA-N 413.547 1.962 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCN2CCOC(C)(C)C2)CC1 1760258134 HHHPCQJROONAMP-UHFFFAOYSA-N 408.550 1.811 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1760351104 CFJQDBDAILXEJX-UHFFFAOYSA-N 416.530 1.069 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1760691545 OBNZPICANDKYOA-CQSZACIVSA-N 415.523 1.962 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCS(=O)(=O)C1 1762181770 AAIVYSHFACMUHY-UONOGXRCSA-N 410.544 1.370 30 10 HDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1762365128 CRONTILFLIEUMD-NRFANRHFSA-N 404.478 1.724 30 10 HDEE CCn1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)c1=O 1766960681 HENGBLLOIYDFSN-HNNXBMFYSA-N 419.493 1.193 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCCCO)CCO1 1771538784 HXQJPXHVUCPXSN-QGZVFWFLSA-N 410.478 1.478 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)cc1OC 1850025655 FAPLIVFYRHZERR-CYBMUJFWSA-N 417.425 1.932 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1850041454 BJELVEVPWAHMMD-GOSISDBHSA-N 421.538 1.832 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3nccc(-c4cccc(C#N)c4)n3)CC2=O)CC1 1851856260 GJQFKBLYBJSTCA-QGZVFWFLSA-N 404.474 1.896 30 10 HDEE Cc1nc(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c(C#N)c(C)c1Br 1851983055 SQOMUTWFLLXWTD-NSHDSACASA-N 415.313 1.486 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CCOCC1 1853385290 GBAWPYYQNRCMHW-OAHLLOKOSA-N 411.911 1.930 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1=O 1853681941 FNDHILIBISORHJ-RTBURBONSA-N 407.474 1.480 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1853827446 CLNLSCJTTOCYRE-RBUKOAKNSA-N 415.490 1.310 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCc4cc(F)ccc4C3)ccc21 1854026734 INUXHZYWSLSGBQ-UHFFFAOYSA-N 413.430 1.902 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2=O)CC1=O 1854126711 NVNXTRVAXIMKPZ-OAHLLOKOSA-N 409.408 1.911 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC[C@H]4CCCO4)C(=O)C3)C2)cc1 1854201603 DAIAYHXLFMBKAW-NHCUHLMSSA-N 410.518 1.763 30 10 HDEE C[C@@H](CCC#N)N1c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C(=O)C[C@H]1C 1854251279 OILRFAISEKHBMU-JKSUJKDBSA-N 418.519 1.873 30 10 HDEE C[C@@H](CC(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854289462 BWKJCCLNTWVPQT-MAUKXSAKSA-N 408.462 1.382 30 10 HDEE CCn1nc2c(c1C(=O)N1CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC1=O)CCC2 1854948839 AXNKYCKEBJIHCK-SJORKVTESA-N 412.538 1.443 30 10 HDEE CC1(C)CC[C@H](N2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)C1=O 1854958992 KAIFECPYPWGZOB-MOPGFXCFSA-N 408.502 1.675 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855698793 WTNCRYNVPUTPAR-KGLIPLIRSA-N 414.453 1.852 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 1856624811 AYPJWMUGGAYRNB-MJGOQNOKSA-N 417.531 1.835 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)n3nc(C4CC4)ccc3=O)C(=O)C2)C1 1856844945 WVLCSLXXQKYEIX-AEFFLSMTSA-N 413.522 1.003 30 10 HDEE C[C@H](C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)c1ccccc1 1857042189 SZKJTQUYHBUUML-YJBOKZPZSA-N 403.504 1.731 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncoc2C(C)C)C1)[C@H]1CCN(C)C1=O 1857068444 NXFFSHLODLALOU-HOTGVXAUSA-N 402.495 1.896 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCCC#N)C(C)(C)C2=O)cc1 1857094491 OQVGGHOPHPEJPU-UHFFFAOYSA-N 406.508 1.304 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CC1=O 1857193425 GDCXJSZQAIJOPT-INIZCTEOSA-N 407.478 1.491 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CC(=O)N1CCCC1 1857232517 XEYVDGZSLMSBJI-AWEZNQCLSA-N 402.882 1.701 30 10 HDEE Cn1nnc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)c1C(F)F 1857290107 KJEDKJNLUACKNS-CHWSQXEVSA-N 406.437 1.757 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)Nc2cccc(C#N)c2)sc(C(N)=O)c1C 1860749708 NPXXKZKUPWUCOD-UHFFFAOYSA-N 400.416 1.781 30 10 HDEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868775093 YZTCWTCJTVWQPU-INIZCTEOSA-N 404.536 1.778 30 10 HDEE C#CCOc1cn(Cc2cccnc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870559722 ONFLFKIAYIAYRU-UHFFFAOYSA-N 410.474 1.578 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1872596728 XPSIKCDHIJZUJP-LJQANCHMSA-N 419.478 1.976 30 10 HDEE COc1ccc(-c2nc(C3=C(N)N(CCNC(C)=O)CC3=O)sc2C)c(OC)c1 1873528176 JZFLKGIZXSETMT-UHFFFAOYSA-N 416.503 1.784 30 10 HDEE COc1ccccc1OCc1nnc(SCC(N)=O)n1/N=C/c1cccn1C 1874289534 JUUCCJOUOMBEOI-KEBDBYFISA-N 400.464 1.664 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1895876624 WPKFATSGCIPCHU-SBJFKYEJSA-N 410.320 1.811 30 10 HDEE C=CCC1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCNCC1 1924896620 QDAVITJOAOLCPA-UHFFFAOYSA-N 405.520 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CC(NCc2occc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 1995957406 KSKUOWXRIBOBFB-UHFFFAOYSA-N 421.303 1.143 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174783170 YVJFRAYDOAUVQT-HNNXBMFYSA-N 401.529 1.825 30 10 HDEE C#CCN(C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 2180139418 HKUWIHKVUZOCTD-AWEZNQCLSA-N 400.497 1.645 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2188791140 OQCKONSRAWECQI-KGLIPLIRSA-N 403.501 1.348 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243384718 VGDNNEJZSYUKGD-GFCCVEGCSA-N 408.308 1.600 30 10 HDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244547162 WHVOMNJNERGKHP-UHFFFAOYSA-N 404.276 1.933 30 10 HDEE CN(CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247837537 UAQWOZAKGXKYCZ-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2247912631 JRWHOMZIPCAKIS-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1C[C@@H]2CCC[C@H](C1)C2=NO 2258069886 OFGCXAGZOCBNLV-PBWFPOADSA-N 405.476 1.611 30 10 HDEE Cc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270540415 OAVWZHVSJJXPSQ-QGZVFWFLSA-N 417.443 1.988 30 10 HDEE Cc1cc(C(=O)N[C@H](C)CCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282110699 QKWXVSZPIYWGDS-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1sccc1Cl 2282304589 MNKBVFFHOQOVCR-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@H]4CN[C@H]3C4)cc2Cl)OC1(C)C 2282313635 NVHXNZIPPMZSQT-DLOVCJGASA-N 418.777 1.729 30 10 HDEE COC[C@@](C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282424762 GSDVTSICNSWQAH-MRXNPFEDSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2C[C@H]2CN)OC1(C)C 2282496042 VGUGXKCIXGHYHW-RYUDHWBXSA-N 400.737 1.512 30 10 HDEE CNC(=O)CN(C)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282496766 HFLXMVYZPSDFHR-UHFFFAOYSA-N 402.347 1.031 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@@H](N)CC2)OC1(C)C 2282500466 KWVVCQANEAQGAQ-OLZOCXBDSA-N 400.375 1.986 30 10 HDEE CN(CCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282500571 LRCJWFUUTNRIFM-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CN1CC[C@@H]1CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282510764 DLQMADLKRKEHHV-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282629829 AMIVHOFRLMDGCM-LBPRGKRZSA-N 401.359 1.990 30 10 HDEE C[C@@H](N)[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2282638009 HBOGDIGQQCYHJF-PWSUYJOCSA-N 400.737 1.889 30 10 HDEE C[C@@H]1[C@H](O)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833839 LHCZBDOHFLQIST-DGCLKSJQSA-N 402.347 1.117 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@]2(C)CC2(F)F)OC1(C)C 2282839899 JSNKEYBIXLMBQT-AWEZNQCLSA-N 408.301 1.907 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H]2CCCN2)OC1(C)C 2282842618 APQNHRIPGHOBOE-CQSZACIVSA-N 400.375 1.609 30 10 HDEE CO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282861228 LMNHHYHSZDBODV-QWHCGFSZSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@@H]3CO)c(Cl)c2)OC1(C)C 2282866686 NLGJUSQMHPAYNH-NOZJJQNGSA-N 422.139 1.952 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)Nc2nc3c(s2)CNC3)OC1(C)C 2282866988 RPIMGCVTVBSBRY-UHFFFAOYSA-N 413.355 1.908 30 10 HDEE CCNC(=O)C(C)(C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883300 YLANDHWDDPHGAI-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](F)C[C@@H]2C(=O)O)OC1(C)C 2284400467 WIMITRCTZCIOPB-GXSJLCMTSA-N 405.278 1.233 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284408085 SAUIEJICFYDEEZ-LLVKDONJSA-N 401.315 1.593 30 10 HDEE CSCC[C@@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284423370 QQVGZZZRWUEUEB-SNVBAGLBSA-N 400.331 1.687 30 10 HDEE CCCOc1c(C=Nn2c(CCOC)nnc2SCC(N)=O)cccc1OC 2331265838 GPYVPDULLPIDKT-UHFFFAOYSA-N 407.496 1.724 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2362766721 DRSXSBKGTZKYNL-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365210162 HLJJZWNOEQJUIG-QLFBSQMISA-N 402.557 1.537 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)c1ncc(I)s1 2366087160 HHQCPPNMRXCYJE-LLVKDONJSA-N 402.261 1.903 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2367786649 IJLNKYUKATYNIF-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CC2)[C@@H](C(F)(F)F)C1 2367788795 QMRSJESZXGFPGE-RWMBFGLXSA-N 411.442 1.973 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367791955 ZFZHTXTXIYSRRB-LSDHHAIUSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367801665 VCWUYKRDEQXYRV-JKSUJKDBSA-N 401.525 1.592 30 10 HDEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)c1 5800163 SATNHUMUZPPRDZ-LCPUNJGISA-N 423.469 1.844 30 10 HDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cc(C#N)ccn2)CC1 29445489 ZUFAGHTWOFGTRE-UHFFFAOYSA-N 404.474 1.839 30 10 HDEE CCCNC(=O)CN1C(=O)/C(=N\NS(=O)(=O)Cc2ccccc2)c2ccccc21 59166344 RYMHSWNHBYFKCN-QOCHGBHMSA-N 414.487 1.383 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)NCC#Cc2ccc(N3CCCCC3=O)cc2)CC1 96349425 YZBOEWDVUWNKJW-UHFFFAOYSA-N 417.531 1.343 30 10 HDEE COC(=O)CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 109221488 GWYKMZMWXMLRGC-UHFFFAOYSA-N 407.492 1.418 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 410074152 JNENWOVRJPADSF-ZDUSSCGKSA-N 416.259 1.795 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)NCC)c2C)CC1 433756604 GQRCHEQIIFZMFZ-UHFFFAOYSA-N 402.499 1.588 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)cc1 439175824 DMUAZGUWZZPVFI-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE CC(C)C[C@H](NC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)NCCN(C)C 462095180 ZWRQRBABSVRNHX-KRWDZBQOSA-N 412.498 1.353 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)CC1 462532656 QRDHRZTUXQHHER-NRFANRHFSA-N 412.534 1.710 30 10 HDEE Cn1ccnc(N2CCN(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)CC2)c1=O 478404094 XKBXLCJCRRHTAJ-UHFFFAOYSA-N 419.407 1.682 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 482191586 GXRDDGOGCRVENZ-HNNXBMFYSA-N 424.482 1.388 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 492289630 GOUVEXRKPCKLME-DLBZAZTESA-N 406.324 1.999 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 492373118 DCUAFVJUWQEQRM-IBGZPJMESA-N 420.513 1.639 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 503097181 VCXDVRYJQRMGLZ-UHFFFAOYSA-N 424.486 1.285 30 10 HDEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 503618192 ZCAHAIWYUCYQMV-UHFFFAOYSA-N 406.508 1.063 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508809698 MVMCWZBURHTWOR-KGLIPLIRSA-N 412.560 1.205 30 10 HDEE COc1ccnc(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)n1 513442568 IBUQDETXOKXXFK-KRWDZBQOSA-N 424.505 1.951 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 525173260 CMYLVFZXJNWIHG-UHFFFAOYSA-N 405.479 1.848 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)NCCN(C)C 533911741 FTWGCDQBWJTKSG-HNNXBMFYSA-N 400.932 1.582 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 542211760 ONOHFRDTYWTMMO-OAHLLOKOSA-N 401.429 1.365 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546904240 OVTLBYYQZHKDEZ-UHFFFAOYSA-N 413.503 1.355 30 10 HDEE COC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 552888332 GLDLWBBKLRMQGV-NHCUHLMSSA-N 406.486 1.727 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H]2CCn2cc(C(=O)N3CCOCC3)nn2)c1 581818555 HUKMMDMPTFJIJT-IBGZPJMESA-N 422.489 1.707 30 10 HDEE CN(Cc1nc2c(s1)CCCC2)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 582636249 IHZFFIFOCQYKKK-UHFFFAOYSA-N 404.517 1.830 30 10 HDEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]2CCCO2)sc2c1CCCC2 586298275 KFUKWUOTZVNULO-JWNZJDHWSA-N 409.533 1.481 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)c(F)c1 586859986 OFNUQUATAPDUBK-HXUWFJFHSA-N 424.476 1.373 30 10 HDEE COC[C@@H](C(N)=O)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 590187378 KAZGBPBXHQUFQO-KRWDZBQOSA-N 401.442 1.476 30 10 HDEE COc1cccc(N2C[C@@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2=O)c1 608925375 GVRKHOLFCHJUTG-INIZCTEOSA-N 416.441 1.870 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)cc1 619674652 FVTSWMFICCGYTO-GETDIDHLSA-N 421.519 1.265 30 10 HDEE C=C(C)[C@H](CO)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 678049320 HPWILZLNXPRVCL-KRWDZBQOSA-N 417.369 1.777 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)c1 729426646 WZWGUPQCCUCEMG-IRXDYDNUSA-N 408.545 1.725 30 10 HDEE COC(=O)CSCc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732431734 DFYSSVSYPCDPKF-ZCXUNETKSA-N 418.475 1.741 30 10 HDEE C=C(COC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(=O)OCC 734028486 BPNBANAWPQYUGS-UHFFFAOYSA-N 412.283 1.451 30 10 HDEE C#CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 735039873 GIOOIRBRQGYCOI-CYBMUJFWSA-N 400.840 1.666 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746173339 CPRYAALWQGPEFK-IAFNSTAXSA-N 406.483 1.809 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1C[C@@H]1CCCO1 755624245 IANGFGNDTYNCAK-ZFWWWQNUSA-N 414.512 1.423 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1noc(C2CC2)n1 765262835 ZITRUCYORYCYMH-CQSZACIVSA-N 417.491 1.717 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2ccnc2)c1 765309668 LQNOZXSVMJBXLY-AWEZNQCLSA-N 410.459 1.122 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NC[C@H]3CCCN(CC#N)C3)C[C@H](C1)C2=O 768715428 FAGNHEJHTFIDGR-CSNJMZFVSA-N 418.538 1.800 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 770659285 ZXSGGPCCPCFEEL-UHFFFAOYSA-N 423.450 1.332 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2(CCO)CCOCC2)cc1 772420927 NTZPRWCHYXBSKG-OQKWZONESA-N 424.523 1.553 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 779659191 BABNNGOMSGMNAS-HUUCEWRRSA-N 423.514 1.024 30 10 HDEE COc1ccc(N2CCN(CCCNC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780861585 RZDYAUZKDGEVJC-QFIPXVFZSA-N 408.502 1.929 30 10 HDEE Cc1cc(C(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)nn1-c1cccc(C#N)c1 781718753 ALUQAMKGILVVIG-UHFFFAOYSA-N 410.459 1.778 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2nnc(-c3ccccc3F)s2)C1=O 783357090 QSGPGTHQVKAXML-SNVBAGLBSA-N 418.406 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)n1 789179987 TTXYTWXATAKLNX-IBGZPJMESA-N 410.478 1.265 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)n1 790105952 JDOLARMQYGVLMI-ROUUACIJSA-N 414.487 1.196 30 10 HDEE C#CCC[C@@H](O)CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 799082002 SNYFHYGEWOQEMA-TZMCWYRMSA-N 402.310 1.749 30 10 HDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C 800728342 KZBMOCPOKIFNDE-OAHLLOKOSA-N 414.539 1.260 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 802378564 WXWHJVVHLOZZCY-UHFFFAOYSA-N 404.478 1.888 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 813779414 GPXKSMBTIKUCPF-HOTGVXAUSA-N 415.556 1.902 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1116562865 QYFPYYOINYXFGY-LJQANCHMSA-N 423.535 1.335 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 1130562896 CZJBEZWIMXJMAD-UHFFFAOYSA-N 402.454 1.935 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC/C=C/c2ccc(Br)cc2)C1=O 1131444400 LLFKTIABLHFBDJ-HWKANZROSA-N 420.263 1.945 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]1CS(=O)(=O)C2 1134056590 RZUBYHXSUIHMEE-UGSOOPFHSA-N 405.863 1.934 30 10 HDEE COC[C@@H](O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138030230 XHRLBBQRZUXVGP-WMZOPIPTSA-N 403.479 1.906 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1142008122 PSCASLUWEFEHJT-INIZCTEOSA-N 414.439 1.690 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)c1Br 1146196709 OEEGKMIQSHZHRB-HNNXBMFYSA-N 407.312 1.457 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(C#N)nc1 1148535978 SVDZBNDBDXDHKJ-INIZCTEOSA-N 402.451 1.507 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)c2C1 1156248050 XBCPNRVFEGYZGI-WMZOPIPTSA-N 421.505 1.565 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]2C1 1159299401 XSGCXIGUNIZUJK-HNBVOPMISA-N 423.517 1.952 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)OC 1161356701 AEGLDOOYCPYPRV-GOSISDBHSA-N 406.504 1.935 30 10 HDEE C#C[C@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1163096670 IZYJLXNUPVECLC-SFHVURJKSA-N 404.513 1.937 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2ccc(F)cc2F)s1 1167608884 AUUCZFLLLPMCBP-HNNXBMFYSA-N 416.471 1.883 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2c2ncc(Br)cn2)CC1 1176288187 LWFMRZQEBILTSQ-INIZCTEOSA-N 406.328 1.544 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1180089982 XHHHFGLVWZBYAW-KPOBHBOGSA-N 421.519 1.696 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3I)C2)c(=O)nc1O 1180990173 OICWNJLSQOPYEW-UHFFFAOYSA-N 422.182 1.122 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)CC1 1203620208 VDGPEULDISMGTI-CQSZACIVSA-N 404.414 1.085 30 10 HDEE CN(C)C[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 1213315176 BACPDHFDIDIABK-CABCVRRESA-N 406.430 1.367 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1213519403 HORHOCXAFMGBMV-SFHVURJKSA-N 410.515 1.081 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Nc1[nH]nnc1C(=O)N1CCCC1 1219062672 BPZVPQVJAPCQTK-UHFFFAOYSA-N 410.482 1.508 30 10 HDEE CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1234532988 PMSXHHXRUBQUKD-VNVHMNPZSA-N 411.911 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N3CCC(CC#N)CC3)nn2)C1 1248516811 HEMRGKZZRGCATO-UHFFFAOYSA-N 403.487 1.905 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](COC)OC 1286402330 WFMYTZJNUMXADL-KRWDZBQOSA-N 416.503 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncccc1N(C)C 1286433596 XRPWFIPEWDVTEI-RXVVDRJESA-N 422.533 1.974 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1286442678 IZXQSIJWVLZHJL-UHFFFAOYSA-N 402.462 1.617 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286482773 YSRYCWQOKHOYOT-HXUWFJFHSA-N 421.549 1.278 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1286607926 MAQQMNHDAUSXIO-AWEZNQCLSA-N 411.553 1.866 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286696111 UHALOKPLVBSDDL-SFHVURJKSA-N 421.509 1.992 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1286785650 IAGXQEREGAGXDH-UHFFFAOYSA-N 412.494 1.630 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cc2c1OCCO2 1293033414 YCIGSBWEOMWUHE-SAPNQHFASA-N 422.235 1.477 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1293712494 DWNKIIFTHWVWGC-GOSISDBHSA-N 416.547 1.307 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1299366513 SUIITSRLTCEXOE-LAUBAEHRSA-N 411.462 1.622 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@H]1C)c1cc[nH]n1 1299616535 LEOVQOFASMGMCI-ZIAGYGMSSA-N 422.482 1.662 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300412302 UUXMFXIYMPQTAM-UYAOXDASSA-N 400.571 1.879 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1300457983 CRGYSCXZEGVUJO-CVEARBPZSA-N 402.524 1.332 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1300579861 YMAQOOJNHQXWJR-ROUUACIJSA-N 405.506 1.775 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N(C)C 1300673789 ZCDRCRWFQUBMFC-UHFFFAOYSA-N 409.494 1.081 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300712319 OXGNXMBFCGVJSS-RDJZCZTQSA-N 414.554 1.672 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOC[C@H]2CCOC2)CC1 1300727339 XMEDYWKKEAAKGZ-QGZVFWFLSA-N 403.527 1.250 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1301196824 KJZJEOGYXXPWSX-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC[C@H](C)C1 1301422663 SIOLBRDSXKQSTI-BZSNNMDCSA-N 404.559 1.988 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCSCC1 1301810411 WJKKVAGCGFCDLS-KRWDZBQOSA-N 408.572 1.587 30 10 HDEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1304801477 AWLZZBAASQJGBH-IBGZPJMESA-N 401.492 1.177 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1305520022 ATIHFQTYRNFNMR-AOMKIAJQSA-N 422.537 1.863 30 10 HDEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1306460833 FCVQFTLZUPGIED-AATRIKPKSA-N 408.510 1.976 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 1307909298 PLFBTNKIYZSJFS-SCLBCKFNSA-N 402.476 1.198 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)sc2Cl)nn1 1309750299 PCHPZJDUUDMMDY-UHFFFAOYSA-N 410.930 1.451 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1313097240 MNWQDWLRDVYPTD-INIZCTEOSA-N 413.927 1.784 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1314814224 BWQLVSYMDKFQCV-QGZVFWFLSA-N 417.473 1.832 30 10 HDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cn1 1315486728 AZOGHAJOJWPWIU-STQMWFEESA-N 407.500 1.079 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCN(C)C1 1315645499 BOFCAXRWLRDKFW-HRAATJIYSA-N 414.510 1.528 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 1354427346 GTIMZPBWAUVTHU-INIZCTEOSA-N 408.462 1.609 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1358910350 LZFYUZXIKPVLKL-IBGZPJMESA-N 402.524 1.497 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358955461 MMDKNVLHAHVKQJ-MSOLQXFVSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963638 LPJVIXTWTVXWSX-KRWDZBQOSA-N 408.568 1.920 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1358964297 XBQQDPVGTWJQLT-PKOBYXMFSA-N 419.595 1.588 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1COCCO1 1359281468 ATUNLEHOZQHQEL-APWZRJJASA-N 416.478 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)CC1 1359298108 NHOGRPKTVOSCSF-UHFFFAOYSA-N 410.526 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1nccs1 1359326871 LQHSPXNQPCHKJF-UHFFFAOYSA-N 412.541 1.110 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1359477545 ZRYCZMCQULOUPK-WBVHZDCISA-N 409.494 1.647 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cnn1CCC#N 1443298842 SAQIPQDDFYLHPS-UHFFFAOYSA-N 400.527 1.654 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 1449357349 KZJJUUZNPHIRSV-SFHVURJKSA-N 402.344 1.871 30 10 HDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 1453157761 GTESSZDKWIFBMD-YPMHNXCESA-N 400.414 1.696 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)ccc21 1453777171 YMOAYTWRFDHFEL-UHFFFAOYSA-N 403.442 1.996 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2csc(S(N)(=O)=O)c2)c1 1454975612 OUBOJJSQVAVSRT-UHFFFAOYSA-N 401.491 1.112 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1 1455115077 LQCRCOIYLHACIW-UHFFFAOYSA-N 408.867 1.220 30 10 HDEE C#CC1(O)CN(C(=O)c2nnn([C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1456808531 HJHYKTWOPZBHGH-LLVKDONJSA-N 411.409 1.218 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCCN(C=O)CC1)CCCC2 1460175364 ZZVSNOIEQDINIK-KRWDZBQOSA-N 413.522 1.520 30 10 HDEE COC(=O)[C@@H]1CC(F)(F)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1462492772 LSZSJKXTPXKYIG-KGLIPLIRSA-N 420.372 1.172 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1466735611 CAVJXLUDVKNMBD-GCSSGZNBSA-N 404.467 1.505 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1467990445 CLAAJZBHMLZDIW-CQSZACIVSA-N 403.439 1.507 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C2 1469462339 SDACFXZMMPHLHF-KRWDZBQOSA-N 405.863 1.393 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1470956381 JFAGDWASZGJCMN-INIZCTEOSA-N 403.479 1.600 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1471266966 YIYKUHUCBGKPOI-QKDCVEJESA-N 406.483 1.588 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 1471941887 CZXKKNQFZCJNRT-MRXNPFEDSA-N 407.473 1.647 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1478416803 AWWMQHGYWHTZSY-SFHVURJKSA-N 409.494 1.904 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 1478603566 GWUKKQUSSSQPMA-FQEVSTJZSA-N 417.514 1.972 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1502472111 NUVIDYJMARNYBW-HNNXBMFYSA-N 415.479 1.304 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1 1507547231 UWQOWRJBVOQQLO-QGZVFWFLSA-N 411.506 1.736 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1507549012 XPMRGLQYCDVXHM-GVDBMIGSSA-N 423.583 1.690 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1507589720 ZAJHUQNMHHRJQJ-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507635683 YNZFBLKYSKHZDP-SFHVURJKSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](OC)C(F)(F)F 1507659551 ZHBIAWUKNAAXOY-OAHLLOKOSA-N 411.428 1.944 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1507723414 HMSGXHFNADLZPG-VQIMIIECSA-N 408.506 1.086 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCCC2)CC1 1507731452 IYEMNRFOXJTZQH-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1507750634 AVYHDKRSRJMUHA-CRAIPNDOSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507755787 HYPKNOIGEVCGQM-AEFFLSMTSA-N 401.536 1.870 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507832261 WWECKDNWLVENGW-GJZGRUSLSA-N 407.540 1.251 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC)C1CC1 1507992357 CDDPBIHDXAHLKH-JKSUJKDBSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)cc(F)cc2C1 1508081370 XWOQOYCANRHRDO-UHFFFAOYSA-N 413.432 1.822 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1516734465 PMSCNOWRSNMQBU-IBGZPJMESA-N 407.478 1.955 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1525838341 PQNFTTGNQFOWCP-KKUMJFAQSA-N 421.519 1.199 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CCCC2)cc1 1538356045 XJCIRLNBKHVHKD-IBGZPJMESA-N 419.547 1.975 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1539012216 FHSQHPSEPAFKHP-PMACEKPBSA-N 423.565 1.847 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(N(C)C(C)=O)CC1 1539117416 XVRNJCXVGNWPLX-UHFFFAOYSA-N 412.494 1.866 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N(CC)CC 1539259318 CJUCUSLSLKDXBK-ROUUACIJSA-N 408.506 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1COCCO1 1539421398 RAQJTQQWZRATFN-GOSISDBHSA-N 410.478 1.018 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@H](OC)C(F)(F)F)CC1 1539454177 ZKIRYHUQNGCBHM-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539517548 PISXVBIVACCBMX-VQIMIIECSA-N 424.592 1.554 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1540919333 NULSWNCZMHRUPL-UHFFFAOYSA-N 423.546 1.840 30 10 HDEE C[C@@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1541958469 GUWVIVRAMOAZAC-MGPUTAFESA-N 401.442 1.886 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cncn2C)c1 1544401542 NFAWWLZGQBENPK-LGWJOMFWSA-N 401.492 1.975 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)C1=O 1544550878 GKQSOBNCGVZRMJ-UHFFFAOYSA-N 410.471 1.163 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)n1C[C@H]1CCCOC1 1558642992 IXABWNANOUBUQW-FUHIMQAGSA-N 405.520 1.542 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1561293268 GPHBQPJSDGAFCK-INIZCTEOSA-N 400.456 1.271 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 1563487624 JETFVOPCKPZICH-KRWDZBQOSA-N 412.456 1.901 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 1565815097 VQSDGZFLLYKRFI-UHFFFAOYSA-N 419.547 1.697 30 10 HDEE CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585211090 HLBCYMRPZNFRQD-WBVHZDCISA-N 417.941 1.707 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 1587333325 AHJPSAHVTXBMFR-UHFFFAOYSA-N 413.499 1.262 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1587562730 SGRSCRIAZQCHML-HOTGVXAUSA-N 419.551 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1587639388 LEWHCFKUJVTHBF-JYJNAYRXSA-N 405.524 1.534 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(OC)CC1 1588083259 CYFHLPOBERZVMN-GTPINHCMSA-N 407.540 1.166 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1588639081 ZHMGCYZVEHEEPH-QRVBRYPASA-N 416.570 1.683 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589060252 PLYLPLLWXWBZRI-HOTGVXAUSA-N 412.581 1.900 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1589150119 CCWADBQWVSTAHP-FOIQADDNSA-N 417.535 1.421 30 10 HDEE C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1612865512 NPTQXRLHHLTJBM-UWXDHFKOSA-N 400.483 1.891 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1614864690 HDGGUMSZTTUVQW-QZTJIDSGSA-N 415.542 1.394 30 10 HDEE CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1616337285 WWGYNGQBMSTNSQ-YVEFUNNKSA-N 414.480 1.018 30 10 HDEE CO[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1619530056 DANQBKVAATXQJH-VRTBNJGNSA-N 414.510 1.618 30 10 HDEE COC(=O)C1=NOC2(CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1625051772 SFHJBFFJFMTBPP-AWEZNQCLSA-N 422.482 1.884 30 10 HDEE CSc1nc(O)c(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)cc1C#N 1627533645 YDLCWMGUXQAZJT-UHFFFAOYSA-N 406.489 1.707 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1629298186 HPWWUQUUGGEBTE-CQSZACIVSA-N 401.435 1.255 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 1630585556 PUGOGDQMYAKIPY-QLFBSQMISA-N 416.544 1.408 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(C(N)=O)nc3)C2)C1 1631495663 VSYSLJKWXOOMRC-FAGJFJLWSA-N 413.478 1.584 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1631921450 VEYUYJHZCMCRAQ-YOEHRIQHSA-N 411.384 1.066 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)C3(C#N)CC4(CC4)C3)cc2)CC1 1632259768 OPLUOJXIJBCLCR-UHFFFAOYSA-N 424.545 1.972 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccccc3Cl)n2)CC1 1632961071 SJQMERFTVGWNJV-UHFFFAOYSA-N 424.935 1.689 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)CC1 1632966700 VUSDKQBVCYIWCU-UHFFFAOYSA-N 411.352 1.209 30 10 HDEE COC(=O)c1cnc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1634932165 UKPDPUXCSGGJDL-SNVBAGLBSA-N 422.488 1.063 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2=O)cc1 1635976627 LIHDUIHJQWCPLW-MXYHBCECSA-N 411.389 1.915 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C)no3)C2)cc1 1636280029 YLUGNINPZAOIPW-OAHLLOKOSA-N 404.492 1.937 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(-c3nncnn3)cc2)CCN1Cc1ccccc1 1636610867 ZAZFVIVKBJNDCJ-HXUWFJFHSA-N 414.473 1.853 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1637985444 BJTCBXIJDWSBEL-CQSZACIVSA-N 404.400 1.477 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)C1 1638075502 QTUPCBPVSVJKIQ-CWVYHPPDSA-N 411.424 1.186 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C(=O)OC 1639559186 UYEUSUGWCQZDQV-KRWDZBQOSA-N 416.434 1.930 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)C1 1640070297 QAXVGEKIOZJEPF-UHFFFAOYSA-N 404.532 1.591 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1640186918 SCBDNHRRRGPCID-NSHDSACASA-N 407.215 1.752 30 10 HDEE C=C[C@H](O)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123425 LNSHMPIDAZGXHG-WBVHZDCISA-N 419.526 1.720 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1641582986 MZQLCMHXUMWOPQ-HNNXBMFYSA-N 410.492 1.508 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCC2)CC1 1641905713 JSPZXNXBJXATAM-GOSISDBHSA-N 418.563 1.981 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc(O)n2C2CC2)C1 1643999307 MKTHKEJHJHFJES-UHFFFAOYSA-N 417.267 1.705 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(Br)s2)cc1 1644160015 LAZDLYQHHLMSOB-UHFFFAOYSA-N 414.306 1.747 30 10 HDEE C#CC1(O)CN(C(=O)Cc2ccc(I)c(Br)c2)C1 1646381847 IFZWVCILRKXUGG-UHFFFAOYSA-N 420.044 1.803 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1650951545 IKOPHHRUGSJMIP-INIZCTEOSA-N 404.894 1.944 30 10 HDEE Cc1ccc(C(=O)NCc2cc(C(F)(F)F)nn2C)cc1S(=O)(=O)NCC#N 1651541112 QEIYICJBGUUOGV-UHFFFAOYSA-N 415.397 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](CN(CCC#N)CCN3CCOCC3)OC2=O)C1 1652627587 OZHYUKQCCHKFHR-KRWDZBQOSA-N 422.526 1.087 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1652926168 RSHMAWFHOCKEPU-UHFFFAOYSA-N 420.487 1.422 30 10 HDEE CC(C)(C)C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(F)cc1 1652960074 LYDQQFKZSXOFMC-QGZVFWFLSA-N 416.453 1.307 30 10 HDEE Cc1cc(NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)ncc1C#N 1655324868 ZZTNBIIQUHVKPA-UHFFFAOYSA-N 424.504 1.478 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OC(F)(F)F)CC1 1665043942 JDHYCZFDDRMOSR-UHFFFAOYSA-N 406.386 1.202 30 10 HDEE C#CCN1CCC(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 1671634477 DSHQABMQBZNZJJ-UHFFFAOYSA-N 417.531 1.326 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)C1=O 1675362129 QHZWUOBUSMQVEH-HNNXBMFYSA-N 418.498 1.926 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 1681856798 XDWLYKWRKREADV-UHFFFAOYSA-N 408.499 1.262 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1687592993 FSGDDXROPJSMMJ-LJQANCHMSA-N 418.563 1.417 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(O)cc1 1690104363 UQWPFFQHHVESTC-MRXNPFEDSA-N 404.492 1.020 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1690496763 XQVFBDVAGYACTG-IRXDYDNUSA-N 406.531 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690663224 PYZXFLRFGUUYFW-NRFANRHFSA-N 421.461 1.150 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NC)c2)C1 1690696689 HNTZDLGNPJEURD-MSOLQXFVSA-N 424.505 1.418 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nnn(C)n2)C1 1690712437 VSCHCTJXRRPJMT-QGZVFWFLSA-N 424.509 1.827 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1690858758 AYLKVPQUIXWTRC-JOCHJYFZSA-N 424.505 1.558 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1Cc1ccc(C#N)o1 1692808160 YADAGNAFSUADMH-VXGBXAGGSA-N 410.525 1.343 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)no1 1692995901 CIAMINNOTICAMA-QGZVFWFLSA-N 412.475 1.785 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1705573587 JWLKYCJWQSMRRW-KRWDZBQOSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)COCCO1 1705608416 QNEMLDHBKMEENP-FQEVSTJZSA-N 408.466 1.186 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCC[C@@H]2C)CC1 1705635318 WCBPHCQCYLKQTP-OALUTQOASA-N 404.559 1.242 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1705636272 DLNKHVQDHKZEQW-HTAPYJJXSA-N 411.506 1.249 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1705762304 UMVPNUQZDLVNNM-ZOBUZTSGSA-N 409.918 1.956 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)CC1 1705763438 VNTATJQUSNZOJL-CQSZACIVSA-N 421.523 1.807 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705830503 RDMPAXVMIVTIJI-MOPGFXCFSA-N 416.526 1.867 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705833046 SACXZFPVVVPLPI-HZPDHXFCSA-N 404.471 1.992 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705835619 PIMKWGWHZGAMKS-KBZZJAQTSA-N 416.482 1.079 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1705907076 ZEENOMYVVFWVBK-MRXNPFEDSA-N 410.478 1.646 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705935545 VKTXWRJXAFUVMR-HNNXBMFYSA-N 411.572 1.525 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1706074200 XBMPJGGCYHPPMB-MELADBBJSA-N 402.455 1.142 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)o1 1707384662 CTVQBTXAQLXVFB-CQSZACIVSA-N 405.480 1.400 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1711028294 QMLJIIHPRVWIPD-PIIMJCKOSA-N 414.535 1.991 30 10 HDEE COC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1)OC 1712156134 AFUMQUMDNXFNLN-SJORKVTESA-N 401.467 1.268 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1712706828 QPOHGXAOXYVUJH-UHFFFAOYSA-N 415.479 1.304 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1722406665 ZPTCPPOJXRBQHO-UHFFFAOYSA-N 403.288 1.797 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1722427661 MNUGRFKJVNRTBZ-IYBDPMFKSA-N 419.526 1.660 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1722450603 AGJSHQVYBGLZFY-AWEZNQCLSA-N 423.564 1.597 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722534949 TYBYFACSZFOBSQ-HNNXBMFYSA-N 408.528 1.384 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722535581 KWICTHPZWAZDJC-FQEVSTJZSA-N 424.553 1.909 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)on2)CC1 1722566659 WOLCXGHEFAJULN-MRXNPFEDSA-N 422.511 1.112 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)NC 1722660206 PDMVWMJYEYHOBV-MRXNPFEDSA-N 423.514 1.663 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C)c2ccccc2C1 1722697588 MUJAXTKGGHQCTF-UHFFFAOYSA-N 404.478 1.494 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1C(C)(C)C 1722731576 OIXCZCISJSXRCB-UHFFFAOYSA-N 423.583 1.671 30 10 HDEE CO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730984984 PADBGMQWMRMVBR-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE C[S@](=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1731020494 BPNYPMOERMYVDO-QWVSSGJLSA-N 406.899 1.633 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740627589 RBNLQXVNGJNNMI-ROUUACIJSA-N 422.551 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(CS(C)(=O)=O)cc1 1740635450 LQRDBZAXZDBJMP-UHFFFAOYSA-N 421.526 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1CCCCCC1=O 1740683667 MOLQOECAMJUXJG-UHFFFAOYSA-N 413.526 1.557 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCN2CCOCC2(C)C)CC1 1740693996 URNRZWKFPQPFFC-UHFFFAOYSA-N 408.550 1.811 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1740880375 YTLMWSYPPWGARS-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2nc(C)cc2C)C1 1740980330 OVTUDUUQKGROOV-ROUUACIJSA-N 413.526 1.914 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1CCOC1 1741918426 BBQGPXKGSLPCNC-HOCLYGCPSA-N 410.544 1.445 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748811510 IDJCZQBEQPLKGN-IRXDYDNUSA-N 417.535 1.782 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1748816904 ATNQMODJZXRJCW-INIZCTEOSA-N 404.540 1.275 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1748929510 LGPHNTHOOLIAOE-LAUBAEHRSA-N 416.547 1.938 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)cc2OC)CC1 1748989242 JGLSVMDLTFQTGE-GOSISDBHSA-N 411.506 1.603 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC(C)(C)C2)CC1 1748994228 VGBYXWIFKRNQKQ-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCOCC2)CC1 1749015524 XYIYKMFMTJQGAR-LJQANCHMSA-N 415.538 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1749067026 OUVJHTWIMQWHKT-DNVCBOLYSA-N 402.524 1.263 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749260912 YEWCCWPNJCTPQC-UHFFFAOYSA-N 416.913 1.871 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749450948 YIRILZDVTUEKOS-ROUUACIJSA-N 419.526 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@H]1C 1749726856 HBHHFIGHGPQZNN-CYBMUJFWSA-N 411.915 1.819 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1750060869 NZCDPWLZGCUICV-MOPGFXCFSA-N 413.478 1.474 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCSCCCO 1750071260 YGRIZJXWFJNBFO-ZDUSSCGKSA-N 406.512 1.717 30 10 HDEE CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1750318504 OVVALCWHDGDYGZ-CJNGLKHVSA-N 401.533 1.765 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)cs1 1751774731 FQSIIPFYGNFTDN-UHFFFAOYSA-N 423.568 1.313 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1760095604 TVXSBBRYGUCABJ-HNNXBMFYSA-N 417.535 1.467 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1760153178 JLGMDWGWPWGGAK-LJQANCHMSA-N 408.506 1.978 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCn1ccnc1C 1760168154 PTLSJGRDLUKQHW-UHFFFAOYSA-N 416.493 1.976 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760172306 YFRXIHIZNWPXFU-FQEVSTJZSA-N 422.533 1.304 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(-n2cncn2)nc1 1760204452 PXEHJNNDBKRTEQ-UHFFFAOYSA-N 409.457 1.361 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1760224961 DOCWXTLIQFFTAM-IAGOWNOFSA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1760228090 VEHRCNYNUUZJHP-QFIPXVFZSA-N 411.506 1.798 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2noc(CC)n2)CC1 1760262528 PAVOJADHEZIXFQ-UHFFFAOYSA-N 406.494 1.207 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760345405 YUPNZRUWKUGAPT-HNNXBMFYSA-N 412.454 1.435 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760386821 KKEOPIJUOFVWAB-SFHVURJKSA-N 413.906 1.960 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCNS(=O)(=O)CC)CC1 1760388164 GOSAUWOHUBUDGJ-UHFFFAOYSA-N 422.511 1.102 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760431322 LMHMBRZWMNMEOL-HNNXBMFYSA-N 418.523 1.905 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1760549543 GRQQWKJEOUBFRW-GOSISDBHSA-N 420.477 1.687 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)OC[C@@H]1C 1760555819 OHSOQIGUTFVOBE-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCOC1 1761235690 IFRZIYBLBZVVGF-DOTOQJQBSA-N 401.515 1.019 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1761547433 DTBFGNPBGWCXDZ-AOMKIAJQSA-N 421.505 1.433 30 10 HDEE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766381509 CJMULIQAQJIYKO-UHFFFAOYSA-N 410.526 1.548 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1768243091 CMVHQZPNWKZPJC-INIZCTEOSA-N 412.878 1.870 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CN(C)C1=O 1770190259 OUXOORBPEVDNDM-FIKGOQFSSA-N 416.526 1.610 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1772563893 VQBDHLIZJOBEPQ-UHFFFAOYSA-N 410.526 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOCC1 1772660176 UHDZDUVLDWKLMY-UHFFFAOYSA-N 420.491 1.154 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 1850279280 ZUYBRUKYGXBLAI-IBGZPJMESA-N 404.536 1.582 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@@H](C#N)C1 1851070322 TYZCMPQTUSBNRW-DZGCQCFKSA-N 419.425 1.759 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1852969774 UNASSRDGLTYAKN-KRWDZBQOSA-N 411.955 1.955 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)C(C)(C)C1=O 1854461322 GOSQNNITOQTHEI-UHFFFAOYSA-N 410.492 1.808 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCOCC1 1854605109 YSUAAZCQKCMMPU-HNNXBMFYSA-N 404.898 1.411 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCC[C@@H](N2CCN(c3ncc(F)cn3)C(=O)C2)C1=O 1854759561 XRDJJPGRBUGQLB-GDBMZVCRSA-N 403.458 1.384 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nccc4ccccc34)[C@@H](C)C2=O)CC1=O 1854888961 VEBJDIPFRUXFQU-WMZOPIPTSA-N 406.486 1.829 30 10 HDEE COc1ccccc1OCC(=O)N1CCN([C@@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1855008450 WHIADQOHDIBWFX-ZWKOTPCHSA-N 414.506 1.511 30 10 HDEE CN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)CC1=O 1855453013 SPMWGMDRBYAPLA-QFBILLFUSA-N 410.474 1.007 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855807261 SAEBOIWYVGKLQS-HNNXBMFYSA-N 412.471 1.632 30 10 HDEE CC[C@H](C)CC(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098258 CYUQVPSVMMCZLW-PXNSSMCTSA-N 410.518 1.922 30 10 HDEE C=CCN1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)C(=O)C12CCCCC2 1856287687 GPVCBTHJGVSMLT-UHFFFAOYSA-N 410.478 1.601 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1=O 1856308237 HKMUIJQTUKXYMO-CYBMUJFWSA-N 419.507 1.239 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCC(F)(F)C3)C2)CC1 1857034880 WNCBGFBJPGBGDG-LSDHHAIUSA-N 417.478 1.752 30 10 HDEE C=CCCN1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C(=O)C1(C)C 1857091632 OACJRTYVBHVXSU-UHFFFAOYSA-N 419.503 1.247 30 10 HDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933443 HIIYFRNFWQOIFV-HNNXBMFYSA-N 406.508 1.023 30 10 HDEE C=CCn1c(C(=O)NCc2ccccc2C)cc2c(N(CCO)CCO)ncnc21 1873594110 LRUIFOBOHIAZSC-UHFFFAOYSA-N 409.490 1.647 30 10 HDEE CN(CC1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1)c1ncccc1C#N 1890972790 FLLKMRVXIVXGQV-UHFFFAOYSA-N 419.551 1.300 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1 1891369305 BDOHOSUTZJDSGU-QGZVFWFLSA-N 409.446 1.842 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1987703024 YWXXWWOZEALNOP-RDBSUJKOSA-N 410.320 1.670 30 10 HDEE CN(C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCO1)C(=O)OC(C)(C)C 2174782264 OTLONRQWQATCKL-HUUCEWRRSA-N 402.517 1.034 30 10 HDEE C[C@@H](CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247818326 YTNOJWTXLXJMKM-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248441886 OVYRKLYAFTWLSA-ZDUSSCGKSA-N 421.303 1.595 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)S(N)(=O)=O 2281814152 IYQLHAWLKXFMMI-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@@]3(O)CCNC3)c2Cl)OC1(C)C 2281943634 OTGSQDCXLGJNHS-KRWDZBQOSA-N 400.737 1.545 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@@H](S(C)(=O)=O)C3)ns2)OC1(C)C 2282010588 YVDBBIMCVGJCNH-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282021617 AVNXDVQFXCPIMH-ZFWWWQNUSA-N 403.288 1.389 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282331150 KBTYHAPKUQEBLQ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE COCC[C@](C)(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343695 GXINSYNZYYQZME-INIZCTEOSA-N 405.347 1.113 30 10 HDEE CN1CCC(N(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282415762 LXCHIHQMIROCEQ-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC(C)NC(=O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282419043 MFJHKAREGPIGAE-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CN(Cc1csnn1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282420272 WUHLLOSVXCEEAP-UHFFFAOYSA-N 416.359 1.256 30 10 HDEE CC(C)NCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495120 IAIMDPLCZOUCOS-UHFFFAOYSA-N 402.391 1.855 30 10 HDEE C[C@H]1COC[C@@H](C)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282499028 MHHBEUIGRAYJDT-TXEJJXNPSA-N 402.347 1.381 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282501728 AZIUDCLEZOFQHP-AGIUHOORSA-N 400.375 1.807 30 10 HDEE COCCOCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282503313 YHLXKTGAMOCNFF-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@H](CN)C2)OC1(C)C 2282505695 HPHFIPRYRHEXMP-GXTWGEPZSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCNC[C@@H]3C(=O)O)c2Cl)OC1(C)C 2282638225 KDCRZEBLFCQRKJ-SNVBAGLBSA-N 400.693 1.199 30 10 HDEE CC1(C)[C@@H](O)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835866 ZFKGTHXSXBBMJO-NEPJUHHUSA-N 402.347 1.021 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(O)CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2282839987 KTLZZQGQSDEJOL-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCCNC2)OC1(C)C 2282842711 BSRHBVALVCHMLO-CQSZACIVSA-N 400.375 1.609 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2sccc2Cl)n1 2282844945 KXVDGSAIFRHRJP-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CCCN(CC(=O)OC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850057 KNFCZJPEGQWBQW-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856245 POKRLLGAMRSUNE-CQSZACIVSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856302 QIXOPRWWXMHCIH-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE CC1(C)[C@H](CN)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282860234 XMTJMXSDWUVJDG-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CN)C3CCCC3)s2)OC1(C)C 2282868332 LXEAFOFUEUGQMY-ZDUSSCGKSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H](O)C(F)(F)F)OC1(C)C 2282878040 AGKURKKALJYJHN-NSHDSACASA-N 415.264 1.639 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415321 NHBNIIQQZULRFN-UHFFFAOYSA-N 401.315 1.699 30 10 HDEE CC[C@@](C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416137 UQNXLHNEQLOQIW-INIZCTEOSA-N 403.331 1.827 30 10 HDEE CCN(C[C@@H](C)C(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284418043 SYJOPVLIUBEACO-LLVKDONJSA-N 403.331 1.779 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)[C@H](O)CC3)c2Cl)OC1(C)C 2284566481 GQHQJWHLABKHLZ-VXGBXAGGSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2ccc3c(c2)N(S(=O)(=O)C2CC4(C2)OCCO4)CC3)OC1(C)C 2295336129 RSQUIWBJHHWOSA-UHFFFAOYSA-N 421.324 1.584 30 10 HDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 2296609522 IFSSZULOEMUMHL-SFHVURJKSA-N 414.462 1.384 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300225170 LQXGEQWZPCZPCD-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H]2CNCCN2Cc2ccccc2)[nH]1 2315396428 BVBSSYCDUZMKRJ-NRFANRHFSA-N 422.382 1.997 30 10 HDEE COc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325706577 QVVGQKCHGSVADR-UHFFFAOYSA-N 418.471 1.292 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2330742496 ANEOFHIFNQGATF-UHFFFAOYSA-N 419.467 1.323 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2365175517 HUQHFXMVEIPAOK-HOTGVXAUSA-N 403.541 1.836 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCCCNC(=O)OC(C)(C)C 2365206197 GDOAYLJRKDBWPG-KXBFYZLASA-N 404.573 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)C1 2367793898 XQZCLWAXONBREB-UONOGXRCSA-N 401.481 1.294 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 2367802212 ZHZFGAORXHTCFA-MAUKXSAKSA-N 400.541 1.477 30 10 HDEE CC[C@](O)(CCNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367809394 MRJMKOYXKFTEJH-KXBFYZLASA-N 402.557 1.601 30 10 HDEE C[C@@H]1C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN1C(=O)OC(C)(C)C 2367830563 JUJHODCWRMHQRD-ZRGWGRIASA-N 400.541 1.435 30 10 HDEE CCCCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 27222627 DPQHAIGJNLVNHF-HNNXBMFYSA-N 417.579 1.969 30 10 HDEE C[C@@]12C[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C=O)C[C@]1(O)C[C@H](C1=CC(=O)OC1)C2 40180578 IQNBKMSBJXGCDH-FBFUBGPDSA-N 404.503 1.898 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(OC)c1 54994509 MKRBQQNPFAKWNN-VQTJNVASSA-N 418.534 1.734 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472340 ODBCILWXUYMBPO-XJKSGUPXSA-N 407.430 1.755 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)Cn2c(=O)[nH]c3sc(C)cc3c2=O)nc1C 96542265 CAVRTSWSCMRVEP-UHFFFAOYSA-N 420.472 1.806 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1=O 101351133 JVJJBROJMGDHOJ-UHFFFAOYSA-N 421.523 1.742 30 10 HDEE COc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1Br 169883443 RZBHASFHBXMEQI-APSNUPSMSA-N 413.253 1.598 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 439731532 YNIUFUAWDSCBFK-UHFFFAOYSA-N 403.442 1.582 30 10 HDEE CCOC1CC(CNC(=O)c2cc(C#N)c(SC)nc2O)(N2CCOCC2)C1 444573167 FPRJLQBBZFHFJR-UHFFFAOYSA-N 406.508 1.380 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 447161256 WXHADTACQWBYGK-KUDNYVPYSA-N 405.863 1.297 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 460553152 PXPBDUKHMLKFDT-OAHLLOKOSA-N 421.505 1.825 30 10 HDEE C[C@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1cnc(C#N)n1 466943796 RNLWAKFDYMKGIP-CQSZACIVSA-N 402.480 1.202 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 471652053 HPNBRCYRTJRKIJ-UHFFFAOYSA-N 400.504 1.996 30 10 HDEE Cc1oc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1S(N)(=O)=O 482559866 XBXKNKAGOMPZMZ-UHFFFAOYSA-N 402.476 1.524 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)cc1C#N 489290551 KPYIYZAKRNANHI-UHFFFAOYSA-N 423.516 1.755 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(c3ncnc4ccsc34)CC2)cc1C#N 489515688 NTCQNKWQLUPOMU-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1C#N 489573236 IRMLTONOCHOLFA-UHFFFAOYSA-N 416.478 1.867 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NC4CCCC4)n(C)c3=O)cc2s1 491605219 TWQXERJDBTWRAA-UHFFFAOYSA-N 424.551 1.927 30 10 HDEE C=CCOc1ccccc1CNC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 497626109 JBLGHDHYLFAWJE-UHFFFAOYSA-N 400.523 1.995 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CC(F)F)CC3)C2=O)cc1 505420989 KBHONDFZHIFQSA-OAHLLOKOSA-N 405.405 1.173 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 508807842 DTUWYQCTOHIOTD-INIZCTEOSA-N 405.524 1.847 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 508921659 MINIOEZZKMGJFF-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 509883990 UJBBHFQYKIJOQX-IBGZPJMESA-N 404.474 1.586 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC2CCOCC2)CC1 512020552 SUQXRLZYFRSWRY-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccc(F)cc2)c1=O 512767009 NTKGLPPVWBSDIB-UHFFFAOYSA-N 410.474 1.983 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCc3ccccc3S(N)(=O)=O)CC2)cc1 513336135 VMBYNQBQBKJCML-UHFFFAOYSA-N 414.487 1.959 30 10 HDEE Cn1ccnc(N2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc34)CC2)c1=O 517751582 ZPCXYAIHKBVCTN-UHFFFAOYSA-N 400.364 1.944 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)NCC#N 519853219 WGIDSPQLYWULKQ-UHFFFAOYSA-N 424.486 1.026 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3c(nc2O)CC(C)(C)CC3=O)CC1 521608042 YKTRMLYGQUKTSY-UHFFFAOYSA-N 400.479 1.002 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(-n2ccnn2)cc1 535189204 CPSHRQGKKLUMHC-HOTGVXAUSA-N 417.477 1.910 30 10 HDEE Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)o1 585695042 SOSHOVSXSWIFPK-GOSISDBHSA-N 414.437 1.405 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)CCN2C1=O 590235709 FHQHUFXIQSQTFP-ZDUSSCGKSA-N 417.491 1.351 30 10 HDEE COc1ccc(OC)c([C@@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 604484584 RJGDFXPJNVSJBS-CYBMUJFWSA-N 403.460 1.731 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCCC1 610522499 LQPJLALOHKJVEF-GOSISDBHSA-N 414.554 1.772 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)C(=O)Nc2ccc3nccn3c2)CC1 611359460 LSFXKNIORZNCFE-UHFFFAOYSA-N 405.418 1.359 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619228334 JZEUBEMGWCDHLX-OAHLLOKOSA-N 403.442 1.595 30 10 HDEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730137100 CYPQOIAPZOIZFB-QGZVFWFLSA-N 417.535 1.594 30 10 HDEE COC[C@@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143162 RJMQVIUKJJBIJN-DOTOQJQBSA-N 406.552 1.969 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)cc1C 735080981 OBESZSRCSMYWFX-CYBMUJFWSA-N 420.350 1.877 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 746469035 IBLXBFVEWFLTEE-ZETCQYMHSA-N 403.350 1.193 30 10 HDEE O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 752997532 CLDIMBGRIWJGSF-ZBBYCGENSA-N 418.494 1.953 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1CCC#N 755705515 UFNSIXGKNISELI-AWEZNQCLSA-N 404.471 1.559 30 10 HDEE Cn1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccccc2c1=O 756890035 ASWLNMJUICNGLG-GUYCJALGSA-N 411.462 1.351 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 758060095 ZAQCZFJBOVEGGU-UHFFFAOYSA-N 410.458 1.577 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 758195686 ZFBMJLOMYQZWEZ-OAHLLOKOSA-N 418.906 1.655 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](C)[S@](C)=O 766733074 QKWSCNXLBHCZFN-NVJDNPAZSA-N 413.565 1.557 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc1C#N 768199509 MKFNQOIMRYPYEE-UHFFFAOYSA-N 419.445 1.921 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1-c1ccc(C(N)=O)cc1 772905024 SZZDOFXZNQJRPH-UHFFFAOYSA-N 423.457 1.573 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cnc(Br)cn2)c1 773501922 DRMIHZACMXJEAR-UHFFFAOYSA-N 409.265 1.081 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 773575392 LPWLALDKESVKGJ-XHSDSOJGSA-N 415.498 1.435 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 780031092 JKXXWEXAGHFZLG-WMHRWZGDSA-N 403.442 1.638 30 10 HDEE C#CCn1ccc(CN(CC)CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)n1 789332854 XGBNVPXVMPXLIT-UHFFFAOYSA-N 407.518 1.759 30 10 HDEE Cc1c(CN(C)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cnn1C 791165094 UWMDFQSLEIAUNH-QGZVFWFLSA-N 417.535 1.840 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 816326687 GEIBEWAURKXFIR-UHFFFAOYSA-N 414.447 1.120 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 816694974 RUPPJEXBZQYYKJ-GOSISDBHSA-N 421.519 1.072 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1CC1CCC1 819307327 UQWWUDZDJLDLAO-MRXNPFEDSA-N 405.520 1.923 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 852995618 QRJWVDWIQHIJGZ-MSOLQXFVSA-N 401.511 1.936 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@]1(C#N)CCCOC1 1124284750 PVVFATSZSNTRFG-IBGZPJMESA-N 423.491 1.365 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN(CC)S(C)(=O)=O 1136337539 MGWXVLKPBHJFNN-CYBMUJFWSA-N 411.952 1.810 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)NC)CC1 1141522661 OUSWJWOEEYLACF-ZDUSSCGKSA-N 409.936 1.563 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1141570671 PIOFAPBSIIAEHD-HRAATJIYSA-N 416.478 1.695 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@@H](CC(F)(F)F)C1)c1cc[nH]n1 1148489115 BJNAXPYQOPASJL-QWRGUYRKSA-N 406.361 1.262 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCOCC1 1155806530 NHROWEQELURSDA-KRWDZBQOSA-N 406.504 1.446 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1158280997 OBIDYBOTLPTNPD-YWZLYKJASA-N 405.426 1.607 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1165497191 BBLGDGSKYXNAOJ-DOTOQJQBSA-N 419.528 1.651 30 10 HDEE CC[C@@](C)(C(=O)OC)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)CC1CC1 1171369899 GFAVLTZVFSQKEL-NRFANRHFSA-N 417.510 1.557 30 10 HDEE C#C[C@@H](NC(=O)c1cn(Cc2noc(C)n2)nn1)c1ccc(Br)cc1 1275473593 CCQVKWDXIWRMFM-CYBMUJFWSA-N 401.224 1.885 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)[C@H]2CCc3ncsc3C2)C1=O 1278266922 CPDAQNJAEJINMK-ZDUSSCGKSA-N 404.492 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1286274952 PWDSQYVGBHXSRA-KBPBESRZSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1286275668 TZRYUDVDSZAATO-CVEARBPZSA-N 410.478 1.927 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1286312746 ZPFZVAFOAJGUCE-UHFFFAOYSA-N 414.554 1.619 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1286450349 PUGRFYVRMCLJMH-UHFFFAOYSA-N 417.535 1.659 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286484786 XMNIWFNLNBRKDG-UHFFFAOYSA-N 402.543 1.218 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@@]1(OCC)CCOC1 1286562865 BFKBTFZRGPLRNU-PLMTUMEDSA-N 421.542 1.484 30 10 HDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1286710649 BIAGJUYBNXDXJH-YJBOKZPZSA-N 413.478 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)C1 1286811100 ZRNTZCNATPVQJE-KSZLIROESA-N 423.583 1.302 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1Nc1ccn(C)n1 1286823832 YXPNHZSFZLQXJS-UHFFFAOYSA-N 407.525 1.712 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCCCC1 1288124809 FOFOERKHWIGVGN-OAQYLSRUSA-N 415.542 1.949 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)CCOC1 1288322347 PLIUAQNQDFQIHM-WIYYLYMNSA-N 416.526 1.309 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2ccc(S(=O)(=O)NCC=C)s2)c1 1291814542 NUCJCVBXQKTNOL-UHFFFAOYSA-N 417.512 1.491 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cnn(CC#N)c2)C1=O 1292205265 BGOZZKMMERKKRA-OAQYLSRUSA-N 402.414 1.966 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300430976 RCKHHEGTWZRQFQ-SCLBCKFNSA-N 409.487 1.005 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1300495081 CMDGLTWPRNPJBA-MSOLQXFVSA-N 404.536 1.908 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1300504719 RBNDTGYUVWBSKC-OAHLLOKOSA-N 423.564 1.563 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[S@](=O)C(C)(C)C 1300553804 SZWNGELYWFQPAC-VUFWKLLHSA-N 406.552 1.622 30 10 HDEE CN(C)CCCN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1300614230 WLIWGODVZGNNEF-INIZCTEOSA-N 405.930 1.564 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1300855571 GPPPRDCWVADURL-FHLIZLRMSA-N 412.494 1.568 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2nc(C)nc2C1 1301262139 RCFABGKTQNHAKC-WMZOPIPTSA-N 417.514 1.515 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1301268690 QGQMSLLNPNZAEH-LJQANCHMSA-N 405.886 1.635 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1301461887 CLPSKIYAFXRDDM-ZWOKBUDYSA-N 407.515 1.530 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H](C)CC(N)=O 1301490649 XGOJWIBTYLBVTJ-NSHDSACASA-N 408.865 1.740 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)C1 1301554545 IDNPUGWUKLDYOQ-CABCVRRESA-N 400.483 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1scnc1C 1301588237 DQMLSQGJVYYUDC-CQSZACIVSA-N 411.553 1.784 30 10 HDEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1301673186 BNPGGXMKXZGGRT-YOEHRIQHSA-N 422.555 1.035 30 10 HDEE COCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1302235969 ZOGQKCAGEYGJGG-FXAWDEMLSA-N 417.441 1.896 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1302426719 COGCCQWLIJLYMC-SFHVURJKSA-N 418.498 1.673 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](C#N)C2)o1 1303427969 DKBZRGNKBCIVGA-KBPBESRZSA-N 409.464 1.372 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F 1309655763 ZCTRVIQYCVMWDP-UHFFFAOYSA-N 420.484 1.163 30 10 HDEE C=CCN(C(=O)Nc1ccc(OCCN(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1310889985 DOYGJAGHHWMUCV-MRXNPFEDSA-N 411.524 1.843 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1313290933 HAWZNFBPQYTCFH-MOPGFXCFSA-N 419.570 1.421 30 10 HDEE COCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1315845846 AVRYAXZEZRXVIF-SJORKVTESA-N 405.499 1.344 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CC1 1316537501 CUALIHGTTDEPQP-HNNXBMFYSA-N 401.471 1.202 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCc2cccc(OCC#N)c2)c1OC 1319754338 XWSVFGWYXUQNLV-UHFFFAOYSA-N 420.443 1.871 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1358951197 MWICUSWYERVWOG-HNNXBMFYSA-N 402.524 1.198 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCC(O)CC2)CC1 1359034359 NNEUPDCLCJXCSQ-UHFFFAOYSA-N 423.565 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cn[nH]c2)CC1 1359043078 GLONDEGZTXVMNY-UHFFFAOYSA-N 406.494 1.215 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359131173 JYVAEORRUOOGBK-MJGOQNOKSA-N 413.526 1.485 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359186464 HECZAMYQRUKQRE-GDBMZVCRSA-N 400.483 1.698 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C)[C@H](OC)C1 1359291653 ZEDXOIONLMOOPI-GOEBONIOSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359296556 MUIXJZRXPYLTIQ-SFHVURJKSA-N 407.478 1.559 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1359345815 QXLAJQXOAFLJCP-UHFFFAOYSA-N 420.583 1.672 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCOCCN(C)C 1359471974 CZROYFIPWSMYIH-AWEZNQCLSA-N 403.487 1.180 30 10 HDEE N#Cc1ccccc1OCC(=O)NCCNC(=O)c1ccc(Br)cn1 1437609488 YRTOHBVYPPSARN-UHFFFAOYSA-N 403.236 1.641 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(OC)c(O)c2)s1 1455419035 CPMDIGGEHODSPZ-UHFFFAOYSA-N 410.517 1.828 30 10 HDEE CCN1CCN(C2CN(C(=O)COc3ccc(C#N)c(Br)c3)C2)CC1 1456315782 LHONEQBDNOKWJU-UHFFFAOYSA-N 407.312 1.548 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)n[nH]2)c1C 1465531123 NEIWZTOWYREELG-KZULUSFZSA-N 422.493 1.733 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1Cc1ccc(C(F)(F)F)cc1 1465872397 MEIGJAKVRJFTJR-UHFFFAOYSA-N 420.395 1.852 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 1467699098 DBGIJZZJLYFCEH-KRWDZBQOSA-N 414.897 1.444 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2N2CCCC2)cc1 1470015248 FRQIPOSCXOQIME-UHFFFAOYSA-N 413.503 1.804 30 10 HDEE CCn1nc(C)c(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 1470593199 KUKCBTDZTSNMTQ-UHFFFAOYSA-N 407.482 1.678 30 10 HDEE O=C(c1ccc(Cc2nc[nH]n2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618924 ORCXAKRXIIRRNF-UHFFFAOYSA-N 405.414 1.913 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1478294452 GQTRKZDYUQAZNN-PMACEKPBSA-N 407.474 1.819 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2ccccc21 1478567957 MMMNUUFXAGQZRI-OALUTQOASA-N 417.469 1.546 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1503368670 SQBOBPKREZSYLQ-OAQYLSRUSA-N 410.478 1.291 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1503701634 DDNUFGOXHNQDDK-HNNXBMFYSA-N 412.494 1.726 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCCO)CCO1 1505321297 MUZDVOWSGKMLPI-KRWDZBQOSA-N 423.477 1.463 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507552911 ALPXLECTPHCXAS-GJZGRUSLSA-N 410.434 1.843 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1507557145 OOHHPRXEUGLECB-QGZVFWFLSA-N 403.527 1.912 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1507564709 VPMVIWMTLOJKPQ-INIZCTEOSA-N 416.551 1.886 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634979 RPWIZCPZKZUXNJ-IRXDYDNUSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(C)=O)c1 1507658646 MWPOZOSAPRDMIA-UHFFFAOYSA-N 406.490 1.886 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@H]2CCCO2)CC1 1507732404 VDSNOFZPWQZATD-WOJBJXKFSA-N 417.554 1.513 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1507967585 HWRIISKNZKSAKE-ZDUSSCGKSA-N 407.496 1.330 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCn1cncn1 1508000955 GWTVMNUFLWKRPQ-UHFFFAOYSA-N 406.494 1.998 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1508012361 CQIZZKMREGLNMP-OAHLLOKOSA-N 410.544 1.019 30 10 HDEE CC(C)Cc1nnc(N(C)[C@H]2CCSC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509134747 KFTOUJSCCTWJGE-YWMAMYRUSA-N 404.540 1.945 30 10 HDEE Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c(=O)n1C 1510878421 AZQHCKSSWXUXCQ-IIBYNOLFSA-N 409.494 1.415 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)cs1 1511507742 BAXBTKWGZIVDFY-CYBMUJFWSA-N 403.512 1.089 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1516734481 PSHNWNHZKCMBOO-QGZVFWFLSA-N 423.477 1.326 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)OC 1518732498 USSYNIKZZZIAOR-ULQDDVLXSA-N 413.434 1.592 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1519313674 CFKQQVUKUQNSPR-KBPBESRZSA-N 402.455 1.182 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1519472934 CEUPNDQLXBIWON-GOSISDBHSA-N 415.519 1.867 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2)CCO1 1521136130 CANTUVRJJAMHAY-OAHLLOKOSA-N 416.432 1.650 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(N)=O)o2)cc1 1525819570 RHCIZHOKFGUFER-HFSWGQLBSA-N 416.459 1.843 30 10 HDEE C#CCN(C(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1530297698 MKSAYBGGZXNEDY-LBPRGKRZSA-N 413.521 1.430 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1c(C#N)nnn1Cc1ccccc1 1531533393 ABSWBBKXLUBGDZ-HNNXBMFYSA-N 400.439 1.676 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1538970326 BYIAPIMZKNTIMZ-HOTGVXAUSA-N 416.551 1.863 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1539141315 FLARQDQBPMCOSH-WKRCXCSHSA-N 404.511 1.800 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539436003 FXQCNLBFVNSJQD-HRAATJIYSA-N 415.925 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCc2cnn(C)c2)CC1 1539483233 UAWOOJZNXUTQCO-UHFFFAOYSA-N 411.554 1.809 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1539520395 QPNVLFUPYYYZGM-UHFFFAOYSA-N 400.552 1.981 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539750861 WGDSZXAWLHBJFB-MRXNPFEDSA-N 404.515 1.542 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1539917852 GWCQMGAGRNBSRS-INIZCTEOSA-N 417.558 1.090 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1540051547 HSKNEEATXJDBCU-UHFFFAOYSA-N 419.287 1.811 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1540533427 XPYUPWGTENOJSA-OKILXGFUSA-N 411.499 1.741 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)NCCNc2ccc(C#N)cn2)cs1)C(N)=O 1540778640 NJSVTJGZSRRJHT-CYBMUJFWSA-N 404.521 1.537 30 10 HDEE CN(CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1)S(=O)(=O)c1cccnc1 1544234188 BIHUSLURMKXBLX-UHFFFAOYSA-N 414.487 1.396 30 10 HDEE N#Cc1c(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)[nH]c2ccccc12 1544512287 XONHSCHKGUSAOV-UHFFFAOYSA-N 402.458 1.903 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1545985603 HLYIVJZNEFRVAW-INIZCTEOSA-N 423.510 1.211 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)n2)c(Cl)c1 1546092402 YHVDHDANRNCSOQ-CJNGLKHVSA-N 409.837 1.766 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1547311752 HHPHBDGLMOFPGC-QAPCUYQASA-N 412.494 1.535 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCn3ccnc3C2)CCOC1 1547861097 SMCCDMUYGLLSRN-LLGFUMIMSA-N 413.526 1.985 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCOC1 1548175107 MGONAAMIWJDOJN-KRWDZBQOSA-N 411.510 1.834 30 10 HDEE Cc1ccc(C(=O)N2CCc3cc(Cl)nnc3C2)cc1S(=O)(=O)NCC#N 1557191903 XDNNCIWGUKSLEN-UHFFFAOYSA-N 405.867 1.439 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(NCc4cncs4)c3)C2)c(=O)nc1O 1558806275 JSBIAPXOPJETQV-UHFFFAOYSA-N 408.443 1.586 30 10 HDEE CN(C)C(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Cl)c1 1558806659 XJAAEIYSWVOCFO-UHFFFAOYSA-N 416.825 1.265 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC(C)(C)CC#N 1561237845 DQMJZWBNTBZPAZ-UHFFFAOYSA-N 402.561 1.741 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCO1 1561580982 BILCHVHRSUHHSV-DZGCQCFKSA-N 400.298 1.708 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)C1 1561687240 YZEIKQXZERZTQI-AWEZNQCLSA-N 400.522 1.881 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1 1563139016 CFGSZUYIBYVSKD-UHFFFAOYSA-N 403.439 1.825 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)C#CC4CC4)CC[C@H]32)CC1 1570326299 DUCRBLSYWIXACD-ZWKOTPCHSA-N 416.522 1.794 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1587861674 PLYKBRPJWGCBQX-ZWKOTPCHSA-N 421.567 1.817 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588054938 QFXHKPZXJRUFSI-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1 1588198923 BONLCLWUQIMDSO-UHFFFAOYSA-N 419.478 1.630 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1588224255 UMPBDHKWTJKBIK-SFHVURJKSA-N 414.473 1.526 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)Cc1ccccc1 1588224353 XGWWUENWHDHPMZ-FQEVSTJZSA-N 404.518 1.824 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1588292812 CPKPSYNEVBSEFQ-UHFFFAOYSA-N 409.368 1.812 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC 1589227805 CNVGMAPMMNVLHG-QGZVFWFLSA-N 408.553 1.175 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589568844 MXDPLLJYVLHWKG-UXLLHSPISA-N 400.545 1.665 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)C1 1589646091 DLPAUEALFRQESL-MRXNPFEDSA-N 414.524 1.669 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1594733873 ZHXBVNXKSLCBBQ-APWZRJJASA-N 422.555 1.707 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1595536538 CUVJOQSPDPTHMJ-UHFFFAOYSA-N 407.478 1.483 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C#N)C1 1596359110 UOYWYXGAHCAFSS-YLFCFFPRSA-N 404.511 1.900 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)COCCNC(=O)OC(C)(C)C 1596404022 AFVDFWLDMUNWRR-UHFFFAOYSA-N 404.511 1.990 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CC(c4cccc(Cl)c4F)=NO3)C[C@H]1CS(=O)(=O)C2 1611165938 VBVYMKJNGSQFMN-NCHVAJSOSA-N 411.842 1.369 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1611331061 HIUXYTUGPFBOPH-LLVKDONJSA-N 423.399 1.195 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1613343370 OMRZVOVSYDGNNR-HRCADAONSA-N 412.485 1.876 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]2CCCN21 1614671362 SXRFPUQFPXRZQZ-OALUTQOASA-N 400.328 1.807 30 10 HDEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1617754670 OCMWWDDZYONKIP-RMYFCYLKSA-N 400.483 1.687 30 10 HDEE CN(CCCC(=O)NCc1nc(C#N)cs1)C1=NS(=O)(=O)c2ccccc21 1617870111 DAYOTPDFFASZRR-UHFFFAOYSA-N 403.489 1.492 30 10 HDEE COC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1619691458 CPRVFLJMGJHCKU-UONOGXRCSA-N 422.511 1.264 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1619938547 AIHQNKHESSWYCV-UHFFFAOYSA-N 420.521 1.872 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCC2(C#N)CCOCC2)ccc1Br 1622666552 DQQIHSZCJSOOEY-UHFFFAOYSA-N 417.281 1.834 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C(=O)OC)c(C)nn2C)ccc1F 1623459514 PABOMKXILQBSNR-UHFFFAOYSA-N 410.427 1.371 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CCC2)[C@@H](C)C(=O)OC)s1 1625144648 VCJJKIRMQFPPEV-LBPRGKRZSA-N 400.522 1.698 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1noc(C(F)(F)F)n1 1627193808 CARAJQKRERVLPZ-SECBINFHSA-N 417.369 1.771 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 1629811178 GQNWJCLMXYJMDP-SGTLLEGYSA-N 414.443 1.089 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1632949114 ASAFSSGTFKFFKK-CYBMUJFWSA-N 416.297 1.240 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(O)c2ncccc12 1635457672 GBBYUDOQJCZCIU-UHFFFAOYSA-N 410.455 1.685 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1636622625 LEIUUBNBVSWZJI-GFCCVEGCSA-N 415.309 1.348 30 10 HDEE COc1cccc(OC(F)(F)F)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637516067 YXGTYJHRIOTRIJ-UHFFFAOYSA-N 410.308 1.425 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C2CC2)C1 1638306464 BTIMRJDLVXXFRZ-MRXNPFEDSA-N 418.519 1.322 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OC(C)(C)C 1638717887 OIYLGNLZBQMCBC-AWEZNQCLSA-N 408.476 1.208 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1643364197 JBVVOYHHYNEEDJ-KRWDZBQOSA-N 414.506 1.808 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)CC1 1643807459 YPLQRBZMSGGXAJ-UHFFFAOYSA-N 413.453 1.601 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@@H](C#N)CCC#N)CC2)CC1 1643889121 LUKXBJKEPDBPNG-QGZVFWFLSA-N 404.515 1.720 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C2(O)CCOCC2)CC1 1645178521 POAQSKCEVGUKGP-MSOLQXFVSA-N 424.339 1.534 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)C2(NC(=O)C(F)(F)F)CCCC2)c(=O)n1C1CC1 1652152044 DRTQADWGEDSVEK-UHFFFAOYSA-N 412.368 1.085 30 10 HDEE CS(=O)(=O)N1CC(CSc2nc(N)c(C(=O)Nc3ccccc3)cc2C#N)C1 1652565687 BJPZDTZUUOKBRI-UHFFFAOYSA-N 417.516 1.771 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCC1 1655669288 GDZLGKDLRHDEER-UHFFFAOYSA-N 409.939 1.709 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(NC(=O)OC)CC2)cc1 1658321376 UULRSVRPEXFZHG-UHFFFAOYSA-N 410.496 1.845 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 1659151031 VICRPUPVWMJKRV-MRXNPFEDSA-N 407.540 1.983 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)cc2n1 1664849512 JSJAWFOWNDPICP-KRWDZBQOSA-N 421.523 1.832 30 10 HDEE CCN(CC)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Cc1ccccc1 1665730091 DMLPQZITAMQCTL-SFHVURJKSA-N 412.494 1.073 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OCC)CC1 1667445660 RHWQRZLXHWIJFH-UHFFFAOYSA-N 408.524 1.555 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1670812741 ABAKPKBDFHFLLT-OAHLLOKOSA-N 418.498 1.694 30 10 HDEE C#Cc1cccc(N(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 1676810339 JKTZDUNIEVEIEV-UHFFFAOYSA-N 400.460 1.752 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccccc1 1682352600 PVWJQAYTNSYUQJ-ZIFCJYIRSA-N 420.535 1.042 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1689851873 WRXZRICVHUWGAL-CRAIPNDOSA-N 402.520 1.833 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2nncn2C)c1 1689872081 ODLWCIXWYPIHOR-INIZCTEOSA-N 420.477 1.015 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1689907594 DQWZDNMKAZRXKA-BZSNNMDCSA-N 424.567 1.819 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(CC)s1 1689961369 VJUXUGDBDLASOK-UHFFFAOYSA-N 420.502 1.724 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1689966044 JODJKBZCXHEZCV-LJQANCHMSA-N 424.530 1.543 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@H](F)C1 1690093553 CEIYUQGNNISUGJ-KKUMJFAQSA-N 401.508 1.113 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)OC(C)(C)C 1690102630 QNGHPSAZWZVOAY-MRXNPFEDSA-N 407.515 1.783 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C#N)o2)CC1 1690113748 SVFYRJWZRAUZQQ-NRFANRHFSA-N 410.478 1.198 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COc3ccc(F)cc3)n2CCOC)CC1 1690152269 FAAHISKAGCOKGL-UHFFFAOYSA-N 415.469 1.608 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690410200 CRMQIVZRSOUQTD-MRXNPFEDSA-N 421.567 1.989 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCN1CCCCC1 1692544942 PPNJDTHLQFIEEU-SFHVURJKSA-N 417.558 1.801 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1692592212 VGWBJQICWNUZBM-MGPUTAFESA-N 414.514 1.643 30 10 HDEE CCC(O)(CC)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1694412536 IBKXGLDOFOAZAJ-GOSISDBHSA-N 401.446 1.918 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1695793582 ADGLPERTYCVJBP-MRXNPFEDSA-N 405.466 1.178 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1696030614 GVDPRAYJMMIIHN-YRISNDGFSA-N 418.542 1.927 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(CC)C1CC1 1696331945 LOOKHFQHWVSYLY-UHFFFAOYSA-N 424.553 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC2CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1705498587 BHUJTCSHRRJGDJ-BWDFOLQRSA-N 401.555 1.958 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705532995 SYLVTHYQEFHYSD-MSOLQXFVSA-N 416.551 1.940 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1705553082 KXRJKJMNPLSWBI-QGZVFWFLSA-N 410.478 1.300 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566850 RDGCXLSANNZYKF-DOTOQJQBSA-N 421.567 1.477 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1705630020 CNXQHUNOUDBGDN-SBUREZEXSA-N 423.517 1.976 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2Cl)CC1 1705632138 WHGNOPYQXUNAKB-UHFFFAOYSA-N 412.925 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1705639306 LKCQMKGBKAVYIM-FQEVSTJZSA-N 408.550 1.846 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705818065 ZLGWNZBDLUBGFH-IAGOWNOFSA-N 411.572 1.904 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705819081 CPMNUPVZZUSPFT-SJORKVTESA-N 409.556 1.499 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1706061903 ADQOPATWQFWNKB-OAHLLOKOSA-N 423.525 1.134 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)o1 1712880890 IVTKVAOGDDRPNX-IBGZPJMESA-N 406.381 1.880 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1722296961 WNARNZTZPCKRNM-HOTGVXAUSA-N 419.526 1.959 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN(C)CCOC)CC1 1722435208 HUQJJXFDKUDMDG-UHFFFAOYSA-N 414.529 1.808 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2nc(C)cs2)CC1 1722436840 LWZLFOYKGJQWCK-ZBFHGGJFSA-N 413.551 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)CC1 1722443585 WJNKVLKWKIVGCX-UHFFFAOYSA-N 420.517 1.944 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCNC(=O)CC1 1722694858 KWRRFJKPTVLPKH-UHFFFAOYSA-N 405.462 1.122 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722727623 KDNVZXSFZPHJSJ-IRXDYDNUSA-N 424.567 1.514 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCN2C1=O 1728525359 DEVJMOJQDLIDGC-MRXNPFEDSA-N 423.477 1.060 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740532090 CAHJAVFDNBLKPT-QWHCGFSZSA-N 411.478 1.867 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1740670133 MVQUIALLMRHBLQ-NRFANRHFSA-N 411.510 1.063 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1740674244 ZFPKOVJORHPVKN-UHFFFAOYSA-N 402.543 1.095 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOCc2ccccc2)CC1 1740695188 IIIDWXIGHCTEKN-UHFFFAOYSA-N 403.490 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCCN2CCC[C@H]2CO)CC1 1740705660 KMUJRTVMTMKSLZ-IBGZPJMESA-N 416.570 1.043 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740741579 NPGAENZNEGRWQK-TZMCWYRMSA-N 403.284 1.964 30 10 HDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740813663 DXSFRBKJQDSZMM-UHFFFAOYSA-N 415.885 1.537 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1740901433 QBNSTIXCKSKEBG-UHFFFAOYSA-N 412.519 1.843 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740946450 RLFCLNRIQGMBCU-AWEZNQCLSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1740962814 PMDOBRCYMMGCKY-AWEZNQCLSA-N 414.514 1.107 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1740964307 NGHJFCQEMKLIBE-QFIPXVFZSA-N 411.506 1.795 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1nccc(C(F)F)n1 1741134443 APEYJTCOLHFONM-LBPRGKRZSA-N 404.425 1.772 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1741572193 HBTNGEWMRQOPOT-HLIPFELVSA-N 406.506 1.928 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1742283969 MOEGTQKINWANPJ-UWJYYQICSA-N 410.478 1.373 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743629567 SYIYLPJMHXWUBU-IPARAFPKSA-N 415.498 1.020 30 10 HDEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1745802863 DEKKJPPPPZAVMP-RDJZCZTQSA-N 404.515 1.658 30 10 HDEE CCOCc1nnc(N2CCO[C@@](C)(c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1747221632 VVMLTPFGUIEOKI-HXUWFJFHSA-N 411.466 1.813 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(C)CC2)CCO1 1748221924 CEWVNFMGAAEKJG-SFHVURJKSA-N 424.505 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1748671413 JFBVPWCEWSCPDE-PXNSSMCTSA-N 411.506 1.971 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748715019 MISVFKAYRXBUTR-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748783776 SJZQFWDBTDQKEZ-UHFFFAOYSA-N 407.478 1.664 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748814335 DFWFZEMEQFLSID-BRSBDYLESA-N 422.551 1.571 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748821865 VUDIDFOHWYXCDY-QGZVFWFLSA-N 406.552 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1748874763 DRIOXCSQYZNDNA-SFYKDHMMSA-N 409.534 1.918 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N(C)C 1749594781 SQACQHCYJDNQEP-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE N#CCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750389692 IDZASVXKRZRDHY-FMQUCBEESA-N 409.494 1.887 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1760105111 BJVVZRNWPWKKBO-CYBMUJFWSA-N 402.886 1.734 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760147598 VWPJMUOHKAVLDS-HNNXBMFYSA-N 415.519 1.429 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1760202713 LPAGRZHLBZNMLW-NRFANRHFSA-N 412.582 1.519 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1760232868 NAFSNWJDHPLARE-UHFFFAOYSA-N 416.489 1.742 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(N)=O)C1 1760272485 MALHZLNUFCQHMQ-CQSZACIVSA-N 406.556 1.265 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](CCC)OC)CC1 1760272899 DIGIOGDDMACNJY-ZWKOTPCHSA-N 403.527 1.911 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCOC)C1 1760534099 RNBNUVNCMKAPGU-UZLBHIALSA-N 407.515 1.083 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(C)(C)C)C1 1760557114 AMGYCKHIESWPKZ-INIZCTEOSA-N 423.583 1.874 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1760558867 CSCQVHDPYMAVCJ-UHFFFAOYSA-N 422.599 1.637 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1760692142 ZAHKAPQPIDKUEA-CQSZACIVSA-N 417.539 1.650 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1C[C@H](F)C1 1761483162 SXGUGKLMTYYDPK-QCQGSNGOSA-N 402.471 1.468 30 10 HDEE Cc1cc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1761683814 ZBFIQGRTWPFFNZ-VHEBQXMUSA-N 411.466 1.690 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1765482876 PJIRORJCAFYJTK-GVDBMIGSSA-N 404.515 1.453 30 10 HDEE CCOCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCC1 1766502318 YMEMMYDLZVJAHF-INIZCTEOSA-N 404.515 1.742 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1770939908 BRZPCYNWAULGCG-GOSISDBHSA-N 424.505 1.714 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C[C@H]1OC 1771338464 AQHOACBHDAODKG-LVCYWYKZSA-N 413.478 1.472 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CCC1 1771342849 CKSDLHYNMFZELM-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1771352572 SWTZXKOGKYKFEZ-QGZVFWFLSA-N 418.523 1.208 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1772566866 UYNKKGABKNQTBV-UHFFFAOYSA-N 410.526 1.581 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772790483 PDLFNYVRVJQADQ-FQEVSTJZSA-N 411.345 1.347 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(C)C)[C@@H]1CCN(C)C1=O 1848802618 ULVDLPCIVMAMJO-MJGOQNOKSA-N 421.563 1.852 30 10 HDEE C[C@@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)n1nnc2ccccc2c1=O 1849523754 PVVPMKOYBZTSBG-HNNXBMFYSA-N 422.489 1.353 30 10 HDEE CN(C)C(=O)[C@@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)c1ccccc1 1850412932 IJHHIPYLAIIDGR-FQEVSTJZSA-N 410.518 1.859 30 10 HDEE CC(C)(C)n1ncc(C#N)c1NC(=O)c1ccccc1N1CCS(=O)(=O)CC1 1851114567 KBMZXBVFCIHWQT-UHFFFAOYSA-N 401.492 1.997 30 10 HDEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)cc1F 1851536284 ZUNQCCNUQGBKLM-UHFFFAOYSA-N 409.425 1.573 30 10 HDEE CN1CC[C@@H](c2ccc(F)cc2)[C@@H](COC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1851850000 VISMTBWYXSVTRH-WBVHZDCISA-N 400.410 1.238 30 10 HDEE CC(C)(C)n1ncc(C#N)c1NC(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1852694067 WUDSBHIGPUGBPI-UHFFFAOYSA-N 415.519 1.992 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3COCCO3)C2)CC1 1853814927 JRSCOKQAJVEAER-AZUAARDMSA-N 411.502 1.724 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)ccc21 1855491096 FFYGFAUXUIBWDI-IYBDPMFKSA-N 403.504 1.251 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)[C@@H](F)CC2CCC2)C1)C1CN(c2nccnc2C#N)C1 1856235127 BLMXEFMDAJCBST-WBVHZDCISA-N 414.485 1.372 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)n2)cc1 1856532813 ZQSSYYGMHHIUIQ-WBVHZDCISA-N 405.462 1.338 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1856869235 ZOHBDKHLNOWBTI-GOSISDBHSA-N 419.547 1.172 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)Cn4cccn4)C3=O)CC2)n1 1857006554 RDOADPHCMHGFSA-GOSISDBHSA-N 408.462 1.068 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nnnn1-c1ccccc1 1857151679 BEAGBPOMDXIUCI-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857263026 BQKPVVVQLDOSRB-KSSFIOAISA-N 405.445 1.601 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2CC 1865223794 DYKALLNOOWIJCN-GOSISDBHSA-N 410.474 1.674 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1cncc(C(=O)N[C@H](C)C(=O)OC)c1 1865935458 YNDCRXLJVNVICQ-CQSZACIVSA-N 413.430 1.955 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870388247 NIDSBYIWMVQABL-GASCZTMLSA-N 421.519 1.718 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2cc(F)c(F)cc2F)C1=O 1873065275 XDBHZLKEIOPZIJ-UHFFFAOYSA-N 409.408 1.682 30 10 HDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2ccc(C(=O)O)cc2C1=O 1873681969 XYMQISPGFCZSKR-UHFFFAOYSA-N 416.353 1.072 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc([C@H]3CCCO3)n2N)nc1C 1874544627 FRCKKGXFICZNGU-SNVBAGLBSA-N 424.508 1.682 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN3CCCC3)OCC(=O)N2C(C)C)cc1 1889241716 QEOJNCDHJNGCHM-VXKWHMMOSA-N 413.518 1.588 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn4ccccc34)CC2)CC1 1889365471 OKXWKIMRMBOKKS-UHFFFAOYSA-N 409.534 1.596 30 10 HDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC[C@H]3C#CCN(C)C)n2)c1 1890267438 KXGMSUKZVCQCEG-QGZVFWFLSA-N 424.501 1.484 30 10 HDEE CC1(C)OB(c2ccc(CN3CC(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 1902687737 LJODZLDEILTLOQ-UHFFFAOYSA-N 402.197 1.988 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 1964086786 KMULRNNHIYWLDG-LBPRGKRZSA-N 403.526 1.871 30 10 HDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985100079 CSEYSHSZAKNTQE-OAHLLOKOSA-N 411.352 1.992 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C#N)C1)NC(=O)OC(C)(C)C 2118165627 CYYCDTKOTVHKRP-UXGGDIESSA-N 408.546 1.478 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243386578 CUCAGKZUOSBFDN-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245265154 CVGDKAUYHHXPGB-RUNBWSAHSA-N 411.308 1.449 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247779161 OMTKVCBNNUNKNP-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)C(C)C)NC(=O)OCc1ccccc1 2258152600 GRYNRCCFTNDZJS-INIZCTEOSA-N 411.480 1.408 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(F)(CO)C3)cc2Cl)OC1(C)C 2267355705 IANHAGOZXPCFRM-UHFFFAOYSA-N 411.713 1.406 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282192739 BEDSDDAZEATJNE-LLVKDONJSA-N 402.347 1.057 30 10 HDEE CC[C@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CCNC1 2282307950 KKKXUTNPLBTQGM-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282315660 QSXLLIZAXYWBCG-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCS(=O)CC1 2282324774 UKHHEFRCOVKMCE-UHFFFAOYSA-N 419.399 1.545 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1CO 2282334055 WQFKKYOPBLCJHA-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC1(C)[C@H](O)CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334901 HYOFBXJTDLTUIF-CHWSQXEVSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@H]3CN)ccc2Cl)OC1(C)C 2282498076 YNLGNMOMVMUUMW-NHYWBVRUSA-N 400.737 1.655 30 10 HDEE C[C@@H](CO)CN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282829843 LDXHDMYRWMUIST-GFCCVEGCSA-N 403.737 1.888 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC(CCO)C2)OC1(C)C 2282834374 SVOASKOKQVDLJS-UHFFFAOYSA-N 401.721 1.642 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](F)[C@H](C(=O)O)C2)OC1(C)C 2284410797 DTHNXRTVPPDNSG-MWLCHTKSSA-N 405.278 1.091 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@H]2CF)OC1(C)C 2288925549 YUMUVCMKYOTEPR-NWDGAFQWSA-N 404.338 2.000 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(F)(F)C[C@H]3CN)c2)OC1(C)C 2296499318 GBNIQLVEXPIXGQ-NSHDSACASA-N 408.301 1.404 30 10 HDEE COc1cc(C=Nn2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc([N+](=O)[O-])c1O 2322038213 MKRDIOOAQZXMOF-LLVKDONJSA-N 420.451 1.796 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@@H]2CS(C)(=O)=O)OC1(C)C 2362576957 POFBGTOODSAHQH-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC1(OC)CCCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363621528 RRMUIYMSFGJCEI-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2365206303 YLAABKGOESGAPE-OWCLPIDISA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]21 2365208322 BUAHXQDEBBCJEY-KLHDSHLOSA-N 400.541 1.555 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)CCCCC1 2367160368 CFENCWKEFCZXMT-HNNXBMFYSA-N 401.525 1.971 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367831626 SPUHWIKSAUAQMD-ZRGWGRIASA-N 400.541 1.291 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(C)cc1 16893832 BUWQQGNGZPKALJ-HNNXBMFYSA-N 403.464 1.371 30 10 HDEE CCN(c1nn(-c2ccc(Br)cc2)nc1C#N)[C@@H]1CCS(=O)(=O)C1 256045899 BPHXSWMKWNLFJZ-CYBMUJFWSA-N 410.297 1.915 30 10 HDEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1)O[C@H](C)C2 410125343 OFEFHZHYBNHWOI-UTXMOHQDSA-N 407.492 1.323 30 10 HDEE COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 410388822 SHXHLMGQDSDVNP-ZYHUDNBSSA-N 404.286 1.577 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(=O)O 427286184 CZYAPDZIPQKDLW-OAHLLOKOSA-N 417.443 1.567 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)Nc2ccccc2)CC1 428758957 JYAVTTXZHGFQNH-CQSZACIVSA-N 412.471 1.513 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 434315905 KKKJMNUCMYUYEE-ZBFHGGJFSA-N 404.410 1.635 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 435272289 XSMNEPDJQNPYNI-IHSNIMORSA-N 421.519 1.410 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H](Oc1ccccc1C#N)C(C)C 439922180 PMWYRFQEUMALBO-VKSUQKOCSA-N 414.458 1.913 30 10 HDEE N#Cc1c[nH]ccc1=NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 463946753 QHVUDEYSLOQQNT-VTLVALNESA-N 424.460 1.793 30 10 HDEE CN(C)c1nccc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 478045788 KMBUODGVWCVTKJ-UHFFFAOYSA-N 400.508 1.010 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 503987312 NQKPXCGWIWWLKO-IEBWSBKVSA-N 419.489 1.812 30 10 HDEE COC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 532513426 XZAQQTNQXMJLME-JKSUJKDBSA-N 414.506 1.851 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c3c(c2)OCCO3)CC1 534333542 FERGAAHPAGRSRL-UHFFFAOYSA-N 410.312 1.640 30 10 HDEE C[C@@H]1CC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 535058962 PWHORDMZHNNUGP-HUUCEWRRSA-N 406.508 1.530 30 10 HDEE Cn1cc(S(=O)(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C)c1=O 538015559 OXFLAZDMXMTZMJ-UHFFFAOYSA-N 410.455 1.101 30 10 HDEE COc1c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnc2c1cnn2C 541439751 YINSNUKYMCHVRD-QGZVFWFLSA-N 404.430 1.774 30 10 HDEE CN(C)CCOc1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544835530 FPNOWONOZUTIPG-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC=C)CC1 548839016 HXNGLKNZTLPMLQ-UHFFFAOYSA-N 410.478 1.284 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCOC2)CC1 550024892 OBQPACUQQUUGLN-XLIONFOSSA-N 424.505 1.601 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2CC)CC1 555114965 KZHXYFMDOFEKHM-FPOVZHCZSA-N 424.549 1.967 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 555242215 GWRSDTUGDDKSFD-STQMWFEESA-N 403.405 1.447 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CCOCc1ccc(C#N)cc1 558176322 QOGOODTVQJDYMK-OAHLLOKOSA-N 416.503 1.681 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1OC 567498707 LFVQGQXKHCLGKH-OAHLLOKOSA-N 407.423 1.502 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3C(=O)c4ccccc4C3=O)cc2C1=O 579483843 ZTSHXQFADQDHAG-UHFFFAOYSA-N 417.421 1.885 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](C)C(=O)OC(C)C)nc1C 586304608 PWNSZDOGNJXUQU-RPHGYIDUSA-N 402.494 1.822 30 10 HDEE CC(C)N1CCN(C2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586860166 VLISKKXEFPTKSK-UHFFFAOYSA-N 415.513 1.331 30 10 HDEE CC(C)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCCC1 609160678 ZRAHTBRQLPFYKL-HXUWFJFHSA-N 418.563 1.902 30 10 HDEE C[C@H](OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)N(C)CCC#N 729591172 AZVAGDQNBIVJHR-ZDUSSCGKSA-N 401.444 1.652 30 10 HDEE N#C[C@@H]1CN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CCN1C1CC1 732673059 TXUFHFHGCKQAPL-XCLLZBPDSA-N 411.506 1.376 30 10 HDEE CN(Cc1cnccn1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 735567228 FYCGOTYIVOOIQG-OQKWZONESA-N 402.480 1.953 30 10 HDEE C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 740510584 RRRWCVOHMORVQC-HNNXBMFYSA-N 410.517 1.060 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(OCC#N)cc1 749189421 VLDHAUQBFHUKGQ-QBPKDAKJSA-N 401.419 1.224 30 10 HDEE COC(=O)C1=C(COC(=O)c2cc(C#N)cn2C)N(C)C(=O)N[C@@H]1c1ccccc1 751724944 RCWJOCJPELUIPC-GOSISDBHSA-N 408.414 1.877 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cc(C#N)cs3)ncnc1-2 752621178 AXSCJITUJPMWCL-UHFFFAOYSA-N 406.269 1.274 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(F)ccc1OC(F)F 760106317 HTFFIVVTCWALKD-YPKPFQOOSA-N 412.324 1.008 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2cccc(C#N)n2)CC1 767993499 RHQGZQXGDJRBLJ-INIZCTEOSA-N 403.483 1.532 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1)[C@H]1CCS(=O)(=O)C1 774239209 BUWCKBGQYWXCAT-HIFRSBDPSA-N 418.475 1.638 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1C#N 785525015 VWVSNUDYKULREW-UHFFFAOYSA-N 420.516 1.025 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 793412908 LXWQECCKYSLNLD-DGCLKSJQSA-N 400.298 1.737 30 10 HDEE Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 797084432 SKGMDMNLXRKXMN-IEBWSBKVSA-N 424.526 1.868 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1 801132064 WFRWOCHOTUJZFP-JOCHJYFZSA-N 412.511 1.764 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 805783524 YVKCBPXCGFFMMT-IBGZPJMESA-N 400.500 1.886 30 10 HDEE CC#CCS(=O)(=O)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 810778344 UQGAGXHYHOCSER-OAHLLOKOSA-N 405.303 1.836 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 812273819 KVDCTPRZIWMGED-NVXWUHKLSA-N 417.535 1.832 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCN(O)C3=O)c2)c1 816692358 MJDHIPKYRKKKAE-INIZCTEOSA-N 403.460 1.824 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(C2CCN(C(C)=O)CC2)C1=O 914548619 NGWFPRMHLSIHMF-MRXNPFEDSA-N 406.483 1.904 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 1129389528 JQMPSHPYIUKILG-UHFFFAOYSA-N 412.471 1.459 30 10 HDEE Cc1c(C#N)c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)nn1C 1130178290 DZVLIWKNGPMMDJ-UHFFFAOYSA-N 404.448 1.564 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1131941500 UIHBFXLKXPRTIU-KRWDZBQOSA-N 408.520 1.641 30 10 HDEE N#C[C@@]12CN(C(=O)C3(c4cncc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 1134056415 PUBUSQJKQSLJQI-WFASDCNBSA-N 410.293 1.272 30 10 HDEE C#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C1CCN(C)CC1 1134262914 WFGUTGQPVOAXPR-UHFFFAOYSA-N 413.927 1.692 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2nc(C)cs2)s1 1141920921 AQLKTLMMUHVEAA-UHFFFAOYSA-N 400.551 1.748 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](c4ncccn4)C3)C2=O)cc1 1155617970 HOSPDOZSYQGKSP-SJLPKXTDSA-N 418.457 1.959 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F 1156052566 CTEANJXSFHQNHO-JTQLQIEISA-N 419.303 1.824 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](n4ccnn4)CC3)C2=O)cc1 1168456671 SMMSHGJCHCPJJC-SJLPKXTDSA-N 421.461 1.609 30 10 HDEE C[C@@]1(C(F)(F)F)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1174601097 LMVPNJQIGSLVOJ-KSSFIOAISA-N 424.379 1.943 30 10 HDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1CNC(=O)OC(C)(C)C 1179640188 DDCPCPLDEJTGJV-KBPBESRZSA-N 419.482 1.220 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)C1=O 1189702263 YPSXTTCIPHMVFH-NSHDSACASA-N 408.705 1.905 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccnn3C)C2)cc1 1203390936 AFJJSEZSTIVPAE-CXAGYDPISA-N 403.464 1.711 30 10 HDEE C=CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)[C@H]1CCS(=O)(=O)C1 1203805820 OEHWFDXKDAHIKO-KRWDZBQOSA-N 421.519 1.819 30 10 HDEE CN(CCC#N)S(=O)(=O)N[C@@H](c1ccc(Br)cc1)c1nccn1C 1213172872 BNQXDPJHZUMLGG-AWEZNQCLSA-N 412.313 1.952 30 10 HDEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@@H](CO)Cc1ccccc1 1225935635 AMKJPOKNHGALMO-RCCFBDPRSA-N 402.495 1.990 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3c(Cl)cccc3-n3ccnc3)C[C@H]1CS(=O)(=O)C2 1229097862 FPUAPEKSXPXBHM-UGSOOPFHSA-N 419.894 1.605 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCC[C@](C)(C#N)C3)CC2=O)C1 1256121841 AGGDJADLWHAWCQ-JLTOFOAXSA-N 405.499 1.542 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3[nH]c(O)nc3c2)c1 1264809784 VGLDPVPVBMAZDO-UHFFFAOYSA-N 405.414 1.150 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1286291669 DQNXOFALSVPIMM-RHSMWYFYSA-N 412.469 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1286299881 ZOTJMQCFKABBKO-UKRRQHHQSA-N 405.549 1.803 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286390717 BHPVCFNUOLHETN-SFHVURJKSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@](C)(O)CCOC 1286424001 QMEMJSAGAGKBCU-JOCHJYFZSA-N 410.474 1.924 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1286464207 WMOHGQFCQQCLCV-HNNXBMFYSA-N 406.483 1.605 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(C)c2C)CC1 1286476399 WNHIWUHLRVZNSL-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1286477356 YIIWEAJKCXUVAT-MRXNPFEDSA-N 421.471 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)C(C)C)CC1 1286489671 BQCWRGMKSQJSJP-IBGZPJMESA-N 412.538 1.920 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286537619 HENPLRWFDDXQDT-JSGCOSHPSA-N 420.315 1.865 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 1293690284 GPKGAYILDQAWNJ-GXTWGEPZSA-N 420.578 1.227 30 10 HDEE CCN(CC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1295536037 ZSGDUNVXRJIHFK-HNNXBMFYSA-N 415.498 1.466 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1298915417 AQEOHDQARDNODE-JOCHJYFZSA-N 423.521 1.551 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1299013141 JBHGQFBIRPPHDO-AVRDEDQJSA-N 424.505 1.585 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1300284691 VJEAWSKEWKBFEL-ZBFHGGJFSA-N 423.514 1.638 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 1300396233 MSWBGFHOHXMZRL-UHFFFAOYSA-N 409.442 1.427 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1300403568 LTVSMUQMMUEIRN-GOSISDBHSA-N 406.494 1.867 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300409027 FCRRNYOHFBVHMJ-QGZVFWFLSA-N 408.510 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCC(F)F 1300528838 AAMRARQWBJGSDX-UHFFFAOYSA-N 411.416 1.839 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc2c(c1)OCO2 1300581239 PTYOFQIYJDMTIR-QGZVFWFLSA-N 421.457 1.500 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCOCC1 1300778694 DVJXICSUWTZQNS-DYESRHJHSA-N 400.527 1.227 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1301452629 VNFLLRPFGWXMTN-KGLIPLIRSA-N 400.487 1.244 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2CCCC[C@H]2C1 1301577554 LIRIBRRPSOYRCN-KRWDZBQOSA-N 416.551 1.615 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301610351 WSPKPFNAAMPMPS-WBVHZDCISA-N 415.567 1.951 30 10 HDEE COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301730764 GBAOPPGJOKZXHA-UHFFFAOYSA-N 410.526 1.327 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)C1 1302289512 HNDYKJYPIZBNRJ-ZNMIVQPWSA-N 418.498 1.302 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC=CCC2)CCO1 1303001800 KMKJLQLRXLRARU-GOSISDBHSA-N 409.450 1.844 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)CNc3ccc(C#N)cn3)c3nccn32)C1 1304038443 WETHKYGFJPZDAB-OAHLLOKOSA-N 423.477 1.769 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Br)C1 1304595602 BLOROOMYFCNFHM-UHFFFAOYSA-N 415.309 1.300 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1313189212 VJEATFKPKCTVHP-INIZCTEOSA-N 407.511 1.269 30 10 HDEE CSCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316456944 HXZODSVPSUKMDR-IAGOWNOFSA-N 417.583 1.939 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1358871911 LXRJHWSDIKZCEH-NWDGAFQWSA-N 407.525 1.104 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1358889386 BDFMXGQIABHHBG-UKRRQHHQSA-N 402.476 1.415 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1358939728 DHOGKPZAJDNZLZ-LPHOPBHVSA-N 410.540 1.355 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1358941177 AJVSMRTYRBGIAS-IBGZPJMESA-N 404.492 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCc1ccn(C)n1 1358982839 MGMGBQJVMNHBJA-UHFFFAOYSA-N 404.474 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(N)=O)cc1 1358991821 PWKHPSGCVDPVCC-UHFFFAOYSA-N 400.446 1.737 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1358992222 FIFFMJWYEPRTNC-IBGZPJMESA-N 418.501 1.442 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1358995092 FBHAIIUFNCSQQM-WZONZLPQSA-N 408.502 1.880 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CN(CC(C)C)CCO1 1359024815 WPBRNZSOBOVQHJ-PMACEKPBSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2nncn2C)CC1 1359030096 NZBHVBDERALMLH-MRXNPFEDSA-N 424.484 1.489 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nnc3n2CCCCC3)CC1 1359045949 YVZVNZZZQVIKMX-UHFFFAOYSA-N 410.526 1.173 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1359048344 NBXOIKBXFZARMI-UHFFFAOYSA-N 400.499 1.170 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359299050 SOCFQEHZZJCYBP-MRXNPFEDSA-N 401.515 1.040 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1359515570 AAODTHFCXZEWNC-UXHICEINSA-N 424.549 1.919 30 10 HDEE C#CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@@H]1CCS(=O)(=O)C1 1360055530 SYJHUKAQYPXIRL-CYBMUJFWSA-N 406.395 1.182 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(F)ccc(Br)c2C)CC1 1443355123 IAXZQGXGCGSHHJ-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1450398555 FISBGUUNPAJKFI-WMZOPIPTSA-N 406.552 1.852 30 10 HDEE C=CCCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(=O)OC 1455838651 VBRJJCGQIANRDD-AWEZNQCLSA-N 417.524 1.537 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1463303579 GDPPBNAOYBLZJZ-GOSISDBHSA-N 403.504 1.167 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)CC1 1463851144 IBAVDLYEPJHIHT-UHFFFAOYSA-N 417.516 1.042 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)C1CCOCC1 1465807520 CAWXMRXEKCSFEX-QGZVFWFLSA-N 408.476 1.817 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1468478307 MCOBHLJRVXYHHV-SBUREZEXSA-N 403.438 1.276 30 10 HDEE COCCN(CC#N)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1468721169 JKVNGFWEJQOLQW-UHFFFAOYSA-N 402.455 1.409 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(C)C)nc3ccccc23)CC1 1471450807 JPZCXUWOODFJAY-UHFFFAOYSA-N 400.504 1.584 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1c(F)cc(O)cc1F 1472041556 OSOFHLZFKHYTQB-UHFFFAOYSA-N 423.441 1.848 30 10 HDEE Cc1[nH]c2ccccc2c1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1473069072 CUMFFMDVRVSYBB-UHFFFAOYSA-N 422.441 1.896 30 10 HDEE C#CCC1(NCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CCOCC1 1473808472 JQDLGBKMCSYVKQ-UHFFFAOYSA-N 418.519 1.258 30 10 HDEE Cc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1492772608 FIWWWJKOYVIIOE-CQSZACIVSA-N 421.552 1.519 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1495773141 GZBBNSOALXRVKR-IERDGZPVSA-N 411.510 1.536 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnn(CC)c2)CCOC1 1502681137 CJBXXURLWCPNEL-RBUKOAKNSA-N 403.462 1.637 30 10 HDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503208993 BDKMNRVHEFDCET-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)c1 1504319688 GDLWMWXOIMQGJY-HNNXBMFYSA-N 420.477 1.770 30 10 HDEE COC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)OC 1504590757 YWBSKNJSIYEKFM-ZIAGYGMSSA-N 407.421 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1507516717 MHPMQXSYEXCDOW-BBWFWOEESA-N 410.588 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1507546309 QIRZCXSPZBSVDM-CQSZACIVSA-N 409.487 1.393 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507554631 WJGDQGOKAROJTI-SFHVURJKSA-N 402.543 1.378 30 10 HDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCC 1507642419 UGWDFVRBNWAJQR-UHFFFAOYSA-N 414.535 1.656 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1507872661 FCTDBFYBNHOSOT-VQIMIIECSA-N 413.950 1.840 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507936216 YSSCRVCVNKTJEX-OAHLLOKOSA-N 410.544 1.104 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1507959162 IPEQSRADPVVFMD-APWZRJJASA-N 424.509 1.721 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508057647 IKWLZOIDLBASPA-QGZVFWFLSA-N 412.469 1.446 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1508089781 FZOKKJHEQQVTTL-UHFFFAOYSA-N 400.531 1.229 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508159381 NDYOZDQDUQBNGI-SCLBCKFNSA-N 406.512 1.179 30 10 HDEE CC(=O)NCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1508379411 KRIDYBCHQUVICA-KRWDZBQOSA-N 420.477 1.590 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC2(C1)OCCO2 1519161720 ALFIOFUHBFHNGB-JKSUJKDBSA-N 418.498 1.139 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 1519275206 DSXJDSXMJUVPPK-RDTXWAMCSA-N 406.466 1.205 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1519280462 WHHHQLPPYCUCIQ-AUUYWEPGSA-N 420.445 1.353 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1531719336 OWGMAPKVVYXZTH-UHFFFAOYSA-N 414.487 1.703 30 10 HDEE CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1538346955 WNDMHKWUKLULEU-SJLPKXTDSA-N 415.490 1.975 30 10 HDEE CC(C)(C)c1ccc(C(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1538761019 NXIMYMLAEDMIPG-LAUBAEHRSA-N 417.531 1.501 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3C(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1539119304 VBFAGMYIBUIUFI-PMUMKWKESA-N 407.517 1.140 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1539169147 VKUXPDVNWYKOTK-UHFFFAOYSA-N 416.532 1.758 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539211016 FPKULTPLMDAKGA-HNAYVOBHSA-N 406.508 1.634 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1539232537 HCZGLFROSUEBHE-WNRNVDISSA-N 405.502 1.456 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CC(OCC)C1 1539338540 WDRDSBMKGYJOJZ-DMONPFRGSA-N 416.522 1.395 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1539344546 BXIZRSZUEXKSKY-FQEVSTJZSA-N 424.567 1.603 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1Cc1ccccc1S(=O)(=O)N(C)C 1539382643 MMNJWLUECBQJPJ-UHFFFAOYSA-N 405.524 1.573 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCC(OC)CC2)CC1 1539428038 MDOLKDIGNQAXHG-UHFFFAOYSA-N 402.543 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2csc(CC)n2)CC1 1539490499 WPLMGJVQCRSQEY-UHFFFAOYSA-N 416.551 1.848 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cncn1 1539665993 MGORZEJGLGSYFO-UHFFFAOYSA-N 419.493 1.886 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540034199 YGTHTOJQSWOEIT-SJORKVTESA-N 418.542 1.515 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1540107018 GWYNWARWGJRZBL-ZJYNUGOYSA-N 412.494 1.853 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1540193882 UFPZGKPRQIBXDG-QGZVFWFLSA-N 405.433 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540867927 MJCCYDVIVYPVBE-UHFFFAOYSA-N 407.478 1.321 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1540872170 FUBIJTOBBPMETR-KRWDZBQOSA-N 401.515 1.573 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540876134 INPMDVWIIRFENU-QRWLVFNGSA-N 407.515 1.236 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1541089102 VHXRYLHKBHIGFY-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc3ccccc3n2C)s1 1542843539 NOPSBZJZGAIRAW-UHFFFAOYSA-N 404.517 1.958 30 10 HDEE CN1CCC(N2CC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1543235070 RCDRNLRMWOUXAX-WMZOPIPTSA-N 407.559 1.858 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1543466454 JQBSGBMVJJIAHQ-UHFFFAOYSA-N 421.523 1.234 30 10 HDEE C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1544546208 XCBOFFZZJHOQHF-BRSBDYLESA-N 418.542 1.746 30 10 HDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1547812449 FDRRTQVCLDBJHG-CQSZACIVSA-N 422.449 1.963 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC=C(c3ccnn3C)CC2)s1 1556558643 IAWZCJAVPRNMQB-UHFFFAOYSA-N 406.533 1.804 30 10 HDEE C[C@@H]1[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)[C@H](C)CN1C(=O)OC(C)(C)C 1557155007 CDMFKMHNROLGOJ-JHJVBQTASA-N 405.455 1.065 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1557623467 STDGDRLFEKAHFB-TZMCWYRMSA-N 417.325 1.513 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)C1 1558329146 KTJYBBXZKORWDB-INIZCTEOSA-N 417.556 1.970 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1561671338 AYLRGHHGOUZMSL-AWEZNQCLSA-N 421.500 1.524 30 10 HDEE C=CCN1CCC(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1565628375 QTLWHDLJKNEOBQ-GOSISDBHSA-N 410.559 1.809 30 10 HDEE C#CCCCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2cnn(C)c2)C1 1573203851 CUZOVCWGUPFQHB-FIQGOXITSA-N 424.545 1.838 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1583816966 PAOADICBRCPKSC-OAQYLSRUSA-N 415.453 1.892 30 10 HDEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@H]1CCCc2ccccc21 1585189546 PSCJAASSEOFMAV-SFHVURJKSA-N 404.470 1.729 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(c3nccnn3)CC2)CCCN1C(=O)OC(C)(C)C 1585519924 DVSSWEDGUPZFBH-FQEVSTJZSA-N 402.499 1.866 30 10 HDEE C=CC[S@](=O)(=NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 1586027955 UQTHJKBLRBTCRU-GMYLUUGSSA-N 423.516 1.392 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3c[nH]c4cccc(C#N)c34)CC2)cn1 1586675066 PZNKVWYDOHOLOG-UHFFFAOYSA-N 412.475 1.356 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCNS(C)(=O)=O 1587915869 UXPPHHDCCFRHHP-INIZCTEOSA-N 405.524 1.654 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1588384795 BGOUUAOAKKDGGT-MRXNPFEDSA-N 407.540 1.042 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1588645884 DYTMPHFPVVQOAK-MOPGFXCFSA-N 405.543 1.225 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1589110763 ZGUGEUAASZYMCW-UZLBHIALSA-N 419.551 1.151 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)C)CC1 1595467138 QPAORNMICPYBHI-UHFFFAOYSA-N 405.547 1.029 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@H]1CCOC1 1595507081 WASTZJULZGCIQD-OAHLLOKOSA-N 415.494 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595761282 ZABLPHUWYZCTHS-QGZVFWFLSA-N 416.569 1.017 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)C1 1611246289 WVTXPSJJOCXFFT-RFQIPJPRSA-N 421.416 1.846 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)NCc3nc(C#N)cs3)CC2=O)cc1OC 1611464925 WFQSUTASAMFLAZ-CQSZACIVSA-N 414.487 1.739 30 10 HDEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1612775473 AGCUISUXNYJHGZ-AEFFLSMTSA-N 412.542 1.918 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2cnc(O)nc2N)CC1 1616494101 RHHKETXHCPOBDV-UHFFFAOYSA-N 417.267 1.290 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1618620980 IIOPRDOMVPPMJY-YRVVQQKDSA-N 408.499 1.731 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1619399338 AJKUWMIEHMMLGA-MSOLQXFVSA-N 424.505 1.941 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1ncn(C)n1 1620097033 PTRGVWFXLIFPLT-HOCLYGCPSA-N 400.487 1.309 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1623645284 YHKIGZWOSGVXRY-DLBZAZTESA-N 406.527 1.104 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)cc1OC 1624057745 NUOBZPVIKAVQBT-IQIBNGDESA-N 423.487 1.462 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1624069863 PRJGJGPCBNRFHX-SFHVURJKSA-N 411.510 1.501 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN(C3CCOCC3)C2)c1 1624893288 UZOGFKHGOKNLIT-QOCHGBHMSA-N 420.535 1.549 30 10 HDEE N#C[C@]12CN(C(=O)c3nc(NCc4ccco4)ncc3Cl)C[C@H]1CS(=O)(=O)C2 1627137022 QMEXNCYSTHMRQL-APPDUMDISA-N 421.866 1.345 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1628507264 CGVFUXVIDUKUKU-LBPRGKRZSA-N 415.309 1.394 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCCN(O)C2=O)(n2cccn2)CC1 1628547665 HPHKFLDZHPOPJA-AWEZNQCLSA-N 407.471 1.106 30 10 HDEE COC(=O)[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1629240171 GHDWVOAXSXXGAI-FEDUSRTKSA-N 407.467 1.174 30 10 HDEE C=CCc1cc(CNC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc(OC)c1OC 1630469357 SQBSTGNPKOZJMI-AWEZNQCLSA-N 411.524 1.513 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4CCOC[C@@H]4C3)C2)C1 1632568533 PJXJQNREAXFBMO-NHUHVJRWSA-N 404.511 1.316 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 1632792650 LMFBDPUBZNXREQ-IBGZPJMESA-N 404.532 1.857 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ncsc2Nc2ccc(C)cc2)CC1 1632966383 OIDLADQZKQWYSZ-UHFFFAOYSA-N 419.532 1.421 30 10 HDEE C[C@@H]1COCCN1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633002046 JHAWFDLCFXGBTE-BAQZJKQNSA-N 406.527 1.610 30 10 HDEE COC(=O)Cn1nc(C)c(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1C 1633237000 XWUQVJKZAYJYFY-INIZCTEOSA-N 421.498 1.876 30 10 HDEE CS(=O)(=O)C1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1634588487 KNXDCCDPIOHVCL-DAWZGUTISA-N 403.504 1.379 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1637390520 VWTRZYKWWNYFDD-IAGOWNOFSA-N 424.542 1.620 30 10 HDEE CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccs1 1638829840 AHRXTGOHFYFWKH-INIZCTEOSA-N 420.516 1.109 30 10 HDEE CN(C)CCN(Cc1ccc(Br)cc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1639599677 FFFOULTZXXTMON-UHFFFAOYSA-N 406.284 1.276 30 10 HDEE COc1ccc(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)cc1OC 1639821509 GRCMMFUZGJYWAI-ORAYPTAESA-N 416.459 1.104 30 10 HDEE C[C@H]1NC(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)=NN(c2ccccc2)C1=O 1641605092 HQLANVWVLFXGQZ-MRXNPFEDSA-N 402.458 1.545 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1643925392 CHNMZRSOPQNRSO-GJZGRUSLSA-N 405.451 1.432 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[C@H]3N3CCC(O)CC3)CC2)o1 1644149641 ILMMQFCKDYXVHI-IEBWSBKVSA-N 401.511 1.565 30 10 HDEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1645407233 AFIQEZMFOFLRIK-HNNXBMFYSA-N 424.486 1.885 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)C2CCCC2)s1 1645561281 LYFKHYKWPHVHQK-HNNXBMFYSA-N 414.549 1.993 30 10 HDEE CC(C)Oc1c[nH]ccc1=NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1647626399 URVFYLMJNHJGDS-CYBMUJFWSA-N 402.476 1.747 30 10 HDEE CCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1649057370 XEWYZRUZHLWIJW-UHFFFAOYSA-N 411.524 1.626 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)[C@H](C)O)nnc12 1649102108 YWEUWLDAWBBWGW-ZDUSSCGKSA-N 415.519 1.846 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CC1 1657038857 OSGIJTFIYVJIGA-UHFFFAOYSA-N 418.288 1.063 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1657468726 YIMRHWSNAONARN-UHFFFAOYSA-N 414.549 1.440 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]2C)CC1 1659077926 SQVKEXPFSUDXEN-OTWHNJEPSA-N 406.571 1.635 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)(C)C 1660072174 HXOKMPXYJFAHFF-SFHVURJKSA-N 422.551 1.943 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OCC)cc(C)c2Br)C1 1664650005 XNFLTYLOFOMGNY-UHFFFAOYSA-N 402.266 1.303 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(=O)OC)cc2C(F)(F)F)CC1 1665528693 KFEYWEBSCHTQNQ-UHFFFAOYSA-N 419.425 1.077 30 10 HDEE C=CCN1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)CC1 1673703805 FKEAREOMOMOCHU-UHFFFAOYSA-N 404.467 1.370 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc2c1N(C)C(=O)CO2 1680187516 CFTGJZDJSDWKID-CYBMUJFWSA-N 407.434 1.446 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(N4CC[C@H](O)C4)CC3)C2=O)cc1 1681514796 COQFWJKIZXJEHA-PMACEKPBSA-N 411.506 1.294 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC[C@@H]([C@@H](O)c2ccc(Br)cc2)C1 1682184287 ARFKUWFDQJDFOD-CJNGLKHVSA-N 409.284 1.544 30 10 HDEE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1685159243 CKDLZEKVTWXSKU-GDBMZVCRSA-N 410.478 1.676 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1685771903 ABSYLGKKVZEKRD-CYBMUJFWSA-N 400.292 1.603 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCn1cnc2ccccc21 1690025112 FPXHIKBOZKHHBA-UHFFFAOYSA-N 415.501 1.913 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690285543 CGXCRKPCAFBDLF-MSOLQXFVSA-N 401.559 1.410 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1690307269 URVBSCXPZKMDMD-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1690452161 YKJBWOITFLXUIV-UHFFFAOYSA-N 412.498 1.743 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690629256 NHQUWPCZTGAIEQ-OAHLLOKOSA-N 418.498 1.883 30 10 HDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(N)=O)C1 1690683524 MYRVGPXAMVMADA-KRWDZBQOSA-N 424.505 1.325 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1692470305 ZSJSNUABGAHQIK-OALUTQOASA-N 407.522 1.872 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692855147 VMCOMFQNNOTRDK-UITZCYDRSA-N 420.477 1.930 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1696022573 DDGPQRXLIJKPRW-QRWLVFNGSA-N 416.482 1.435 30 10 HDEE CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696430222 FQGXSPSBDUCYJE-UHFFFAOYSA-N 409.498 1.550 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1697449276 DDMKASAHJGODRX-CABCVRRESA-N 412.450 1.023 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CCO1 1698493288 KZKQVXVZTVLFMB-SECBINFHSA-N 400.187 1.452 30 10 HDEE C#CCOCCC(=O)N1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1705299087 AYVHOWKRHSYOBK-NHHWGVFUSA-N 400.519 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1705486383 CMKGZFXTXQVQKN-UGSOOPFHSA-N 408.911 1.606 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1705604544 OHFBXNLNYHACEH-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nccs2)CC1 1705649139 LTMZAMWPBHUQLN-UHFFFAOYSA-N 407.503 1.811 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705746174 RCUSZGIZXSJNHQ-KBPBESRZSA-N 406.936 1.768 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2ncccc2F)CC1 1705906048 QNWHOLBCJLTUPL-UHFFFAOYSA-N 413.501 1.784 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1705924211 UOXLHPCPPJBHJT-IBGZPJMESA-N 418.586 1.812 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C)C1 1705930575 QIDXATRVPFAWSL-OAHLLOKOSA-N 418.523 1.763 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1706115795 BMQVSVHXTKDHDV-NRFANRHFSA-N 411.510 1.320 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1706743392 JILJIEXJGMNDEV-GFCCVEGCSA-N 413.873 1.885 30 10 HDEE COCCOCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1712613393 PDCFEFGINUKNMW-MRXNPFEDSA-N 406.512 1.416 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722308816 QLUBSPXDQWKMJJ-MRXNPFEDSA-N 414.510 1.462 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722337217 WJFLBXNCDQHQSA-AWEZNQCLSA-N 421.523 1.679 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1722382733 CMTILHSZXYVGMI-FXAWDEMLSA-N 408.458 1.669 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722502840 AUDYIGJSFAPZNH-JQHSSLGASA-N 412.494 1.273 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1722518170 WFIYOLWMJXIJIB-KRWDZBQOSA-N 419.551 1.638 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1722542826 IFHAJWIPZKRSNS-ZDUSSCGKSA-N 404.968 1.608 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C 1723817892 HXGPUJUWIDWNSJ-HNNXBMFYSA-N 416.551 1.780 30 10 HDEE Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)s1 1726277876 FCSLUMXJPZORJY-GOSISDBHSA-N 402.528 1.949 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1727604893 FFXSZHKAFRMXNK-SFHVURJKSA-N 407.522 1.953 30 10 HDEE CN(C)C(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1729305392 DALBJFWPGIRJKL-UHFFFAOYSA-N 411.485 1.971 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)C(C)C 1730956636 RIKSYRIIEQBGIQ-KSZLIROESA-N 406.531 1.461 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCNS(C)(=O)=O 1740548871 AMZUBPHZAFUDKT-HNNXBMFYSA-N 405.524 1.275 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1740558299 RQBNBNQDIQKFLE-AWEZNQCLSA-N 422.514 1.875 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740592667 DTPNUUWKORXXJP-FQEVSTJZSA-N 421.549 1.420 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@]1(N2CCOCC2)CCSC1 1740599440 APXHSFILNKHLBK-YLJYHZDGSA-N 423.583 1.279 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740629540 QULKOSIUECXXLV-JKSUJKDBSA-N 412.581 1.898 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(C)on2)CC1 1740704357 LYGRMXGCMHPTOP-UHFFFAOYSA-N 405.462 1.651 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740787620 JZPSUFWVHUYAHX-JYJNAYRXSA-N 415.560 1.342 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740835766 ONARYQDNAFJCPB-LJQANCHMSA-N 406.508 1.799 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740888197 QUONIJOECMGRNR-RCCFBDPRSA-N 424.567 1.636 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1740962763 NOTXRNVHMUUGGE-UHFFFAOYSA-N 416.555 1.273 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCOC1 1740991358 UWMIRXXKYTWFAL-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1748639484 HXRXGSNARREUDX-SOUVJXGZSA-N 419.507 1.186 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1748779357 HIDUEKNHRPMZHX-UHFFFAOYSA-N 417.271 1.357 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1748791164 PREYGMFWFHGNBL-MRXNPFEDSA-N 416.503 1.459 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1nnn(C)n1 1748953821 VAKSNQNLDIVJNK-UHFFFAOYSA-N 408.510 1.900 30 10 HDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1749034142 WRQYBVZRYXGIIP-ZDUSSCGKSA-N 423.502 1.272 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1749708240 IVRIVLDJJFJYDA-GHMZBOCLSA-N 420.258 1.998 30 10 HDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1749763908 MPSJKPTVEJEOMJ-UHFFFAOYSA-N 420.583 1.422 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H]1O 1750340130 WAWIMPXQQZHNEE-BEFAXECRSA-N 424.505 1.462 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1750985098 HDXCXCHCGQVXHZ-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1750991991 DSDZLCHMJYQPOY-QGZVFWFLSA-N 407.478 1.152 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)CN2CCOCC2)n1 1751837775 FXEULHVVKMYGPH-IAGOWNOFSA-N 414.558 1.704 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1752270776 GRLBJNBFMPHRPZ-MRXNPFEDSA-N 404.478 1.770 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760206041 PNDKZZIOHYTRIB-MOPGFXCFSA-N 403.486 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCNS(=O)(=O)CC 1760216837 DINVVIAIWPAIHQ-UHFFFAOYSA-N 400.508 1.132 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760280476 FVTKOSOXRVSPHY-AEFFLSMTSA-N 400.552 1.951 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1760322106 OBOYJSFPLWRNGN-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)N(C)C)CC1 1760403486 USPUGNKMHZOEMK-UHFFFAOYSA-N 404.540 1.558 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760449505 LZQRDZHUJHRCNZ-OAQYLSRUSA-N 416.526 1.953 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1760484728 IYGTVIAOEQALQF-IBGZPJMESA-N 408.499 1.722 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1760522733 CPSFEFOVIWYCRW-UHFFFAOYSA-N 423.477 1.691 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC(=O)N1 1761035963 GUMYYUQFJQBUDY-QGZVFWFLSA-N 408.510 1.348 30 10 HDEE CO[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1768004451 CFVNWOCPEHSFCN-UONOGXRCSA-N 406.512 1.431 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1769109107 AWJXNLIXGPZTSO-UHFFFAOYSA-N 401.515 1.303 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1771189603 WLNCRKGKLVKVGJ-FCEWJHQRSA-N 410.494 1.165 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCOC1 1771219212 JRPFOLXIRPTYPB-LMMKCTJWSA-N 418.542 1.605 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCCCCO)cc1 1771534607 IGSGMIPLLBZAGF-UHFFFAOYSA-N 412.494 1.608 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCCC2)nnc1N1CCC(CO)CC1 1771564502 LRTHRBXZCHVRAJ-ZZEZOPTASA-N 414.510 1.671 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@@H]1CCN(C)C1=O 1848593326 MTHJLOBHVQGPTK-GOSISDBHSA-N 423.510 1.472 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1 1849873145 OWFVQLAEAFWFEU-UHFFFAOYSA-N 402.458 1.782 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)NC2CCN(S(C)(=O)=O)CC2)c2ccccc21 1851330137 HOSMGTHDUZEAGO-UHFFFAOYSA-N 420.535 1.614 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)C[C@@H]2COc3ccccc3O2)CC1 1852248136 NONLWVZEUVHOFD-GOSISDBHSA-N 408.458 1.849 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1 1853169456 JCNNIEXCHQDQAX-CQSZACIVSA-N 400.501 1.458 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCCn3c1nc(C(F)(F)F)cc3=O)OCO2 1853215182 QSHRGPPMDVFJCJ-UHFFFAOYSA-N 406.320 1.842 30 10 HDEE CC(C)COc1ccc(C(N)=NOCCC(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)cc1 1853477341 XZTQANOONPYFTI-DOTOQJQBSA-N 409.508 1.146 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4cccnc4)C3=O)CC2)CC1 1853678979 ZSESOEQACJOUNU-LJQANCHMSA-N 409.490 1.297 30 10 HDEE Cn1cnnc1C1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1854014741 LYDUPHRKAFJGPS-IBGZPJMESA-N 406.490 1.626 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854455092 LXRCWPRBGPJWEJ-OAHLLOKOSA-N 405.476 1.265 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccccc1F 1854775328 YIGPAXOWQFYNQU-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2ccnc2C2CC2)CCN1CC(=O)c1ccc(C#N)cc1 1855119949 ZIIDFRBZYVDHMF-HNNXBMFYSA-N 405.458 1.574 30 10 HDEE CCOc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cn1 1855170364 PQTQGVJBJQUUTG-HNNXBMFYSA-N 406.442 1.908 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 1855718106 LUJSFTYCISSPQI-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1855961373 LQYCDDXIVJONPJ-FUHWJXTLSA-N 407.478 1.051 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@]4(C3)CC4(F)F)ccc21 1856645947 GEZMATSSXWXYGB-QGZVFWFLSA-N 409.414 1.826 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cccc(F)c1 1856978719 GITKLLUCSKBXTC-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE Cc1cnc(CCC(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)o1 1857069271 WZMCOOHGYBEFLO-KRWDZBQOSA-N 408.462 1.132 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](N(C)c4ncccn4)C3)C2=O)cc1C#N 1857148610 CWXKBRSEXXBDMC-RTBURBONSA-N 404.474 1.609 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c(OC)cccc2OC)C1)[C@H]1CCN(C)C1=O 1857265299 UTMBPFKXYHONIF-HOTGVXAUSA-N 415.490 1.411 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCC 1857347806 VYQUDCUDUYHTMK-KRWDZBQOSA-N 419.503 1.310 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)c2ccccc2)C1)C1CN(c2nccnc2C#N)C1 1857386544 OCVHTMFFGMPNIV-MRXNPFEDSA-N 404.474 1.548 30 10 HDEE CN1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868774706 OKCLDZFIKITYKW-KRWDZBQOSA-N 417.579 1.694 30 10 HDEE CCCCCCCOc1nonc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1872653095 KHZZPOZGLAVXFS-UHFFFAOYSA-N 424.523 1.968 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 1984869692 PAIIVKFSKGLSAZ-ROUUACIJSA-N 417.506 1.995 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987168830 KIZJQHZOWYSIAA-CABCVRRESA-N 423.510 1.486 30 10 HDEE O=C1C(=C2Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21 2039902518 CFZXDJWFRVEWSR-UHFFFAOYSA-N 422.396 1.308 30 10 HDEE C=CCC1(NS(=O)(=O)[C@@H]2CCC[C@@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 2162442582 DBACWADXBTWMJR-UONOGXRCSA-N 402.513 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174780000 PCNCLSNUUXXODZ-SANMLTNESA-N 421.541 1.354 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C 2174781406 FQQVDLPXJHKPCT-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC1CCC(OCCNS(=O)(=O)N2CC(C#N)C2)CC1 2174787896 ZARBKADPLDKNLJ-UHFFFAOYSA-N 402.517 1.129 30 10 HDEE CC[C@@](C)(C#N)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818881 FLXMQYMPSIPZLF-SOKVYYICSA-N 401.533 1.865 30 10 HDEE N#C[C@H]1CNCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br 2191770867 XMRPAJBZPRGANZ-QMMMGPOBSA-N 424.118 1.280 30 10 HDEE Cc1nc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2243679043 RQCAECGKXBXVGT-LBPRGKRZSA-N 406.292 1.936 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)co2)OC1(C)C 2247778893 JVEBPLWWFLPVTG-KRWDZBQOSA-N 416.205 1.862 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815388 ZTNCNMJUGIIWSI-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE CN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2247911190 SZCAOUZJKVEENZ-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CN1C[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2251302463 ZZMQMUIQIWVPAC-HBWSCVEGSA-N 423.319 1.368 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)OCCO1 2255801306 ZTWGRWHJDGINKA-UHFFFAOYSA-N 401.265 1.166 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](CNS(=O)(=O)CC(C)(C)C#N)[C@H]1OC 2279473291 PYUSEEVJDFXSMY-MGPQQGTHSA-N 405.517 1.105 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C)[C@H]1C 2282310522 VJMFHUOJPMFPDR-WCQYABFASA-N 400.375 1.727 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1F 2282314845 GFGOHHLJPYWHAI-NWDGAFQWSA-N 405.322 1.713 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282350479 NNYBKOGDQMJKRM-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282416658 ZFRSTZUVYYNLTP-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282419578 QBRFCNUWXKATJU-CYBMUJFWSA-N 400.375 1.561 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548235 WULCRNIJYFCNLH-CQSZACIVSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)c2)OC1(C)C 2282851746 GLYSZTJBOKUQPG-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC(C)[C@@H](C)[C@@H](N)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855681 IEXOGBDUZNUNOT-OLZOCXBDSA-N 402.391 1.945 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2282862462 CTOXSBHQZHSWLE-VIFPVBQESA-N 415.264 1.903 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCNC3CC3)ccc2Cl)OC1(C)C 2282871807 LZKKPGQXMRWSMK-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883132 WHAAKYOJEATPTI-UONOGXRCSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@H](CC(=O)O)C2)OC1(C)C 2284401605 BVQURRQYGVJZLH-LLVKDONJSA-N 401.315 1.533 30 10 HDEE COCC1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 2365175233 FJHSZAUSSDFZIA-OAHLLOKOSA-N 403.541 1.838 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203631 UPYVHTNIACGSDI-OWCLPIDISA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367806054 HNDSXOFXMJJJAH-IIDMSEBBSA-N 401.525 1.780 30 10 HDEE COc1ccc(Br)cc1/C=N/NC(=S)NCCN1CCOCC1 20786334 UEJCZZYEHCTLDA-WOJGMQOQSA-N 401.330 1.588 30 10 HDEE CCCNC(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccc(C)cc2)c2ccccc21 59148717 XTPNPGWCPWBVCE-QOCHGBHMSA-N 414.487 1.550 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)nnc1C(C)C 59910927 NLUYOPKFJCDRNK-UHFFFAOYSA-N 419.555 1.969 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472339 ODBCILWXUYMBPO-BBRMVZONSA-N 407.430 1.755 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472632 FZAZLRQJFFAXBT-BBRMVZONSA-N 419.397 1.970 30 10 HDEE Cc1cc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c(C#N)c(C)n1 301756078 DKMMUWWTXPBQQL-UHFFFAOYSA-N 400.508 1.529 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 409574546 NDYWLSYIDIKXSN-LBPRGKRZSA-N 402.318 1.302 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccccc1 441190605 STZDCXLJTYKBGW-SJQORLFUSA-N 413.474 1.747 30 10 HDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)N2CC(n3ccnn3)C2)cc1 441307720 FTMQEMKRWAOFKF-UHFFFAOYSA-N 418.413 1.973 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)[C@@H]3CCO[C@@H]3C)c(C#N)c2N)cc1 442766073 VZCHZNOPZLAHEO-RDTXWAMCSA-N 403.508 1.664 30 10 HDEE C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 464522871 ITPSYIKKLWKXBR-DZGCQCFKSA-N 400.522 1.693 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 466029681 JQAVVYNTMULFDN-GOSISDBHSA-N 408.458 1.916 30 10 HDEE CC(C)OC(=O)[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466277272 VETVTPSVYLYBCN-HNNXBMFYSA-N 422.507 1.162 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 466933347 PTWFZGTUFBQINW-INIZCTEOSA-N 410.478 1.864 30 10 HDEE Cc1ccc(N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nc1C#N 468710338 DYLKVDMEPTZVNE-UHFFFAOYSA-N 414.487 1.934 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(Cc2nn[nH]n2)cc1 473901178 KHMPQJWRPJQKPQ-UHFFFAOYSA-N 401.434 1.893 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1OC 477540523 ZTDSQSKBIODUJW-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 478344516 PQODEIKAFNKDED-OGWOLHLISA-N 407.492 1.022 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 478744138 HLABAJICEVNHDD-HOCLYGCPSA-N 414.483 1.181 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 481747642 HSCAVFQNRDPMKR-XIRDDKMYSA-N 423.560 1.738 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 494368839 NNSOTQXGRQYQQU-INIZCTEOSA-N 400.357 1.458 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cscn2)c1=O 497562073 SVBUFMJCOISATP-UHFFFAOYSA-N 410.524 1.692 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508472344 JTYZJDHZJJIRLL-RTBURBONSA-N 409.490 1.968 30 10 HDEE C=CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508748267 QNVWPZHLKVAVDL-UHFFFAOYSA-N 423.502 1.842 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1=CCN(C)CC1 511229999 DQFJIUXJKGJMDR-INIZCTEOSA-N 417.535 1.225 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)CC[C@@H]4O[C@@H](C(=O)OC)C[C@H]43)cc2C1=O 512950371 ZURRSWSQQPUNTI-GQAVTEOGSA-N 412.442 1.792 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 513801086 OZFNHTDDCYURLF-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(C[C@H]4CCCCN4C)CC3)CC2)o1 530283150 VDGKAIXCRVSSQA-LJQANCHMSA-N 414.554 1.700 30 10 HDEE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 534371315 XXDKSOYTOBRKOA-KBAYOESNSA-N 407.492 1.287 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3nc(CN4CCOCC4)cs3)CC2)n1 546211793 FWDJEVHFTKJAFE-UHFFFAOYSA-N 413.507 1.596 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 549261593 RXOWCDFIKSPLSD-JTDSTZFVSA-N 410.540 1.531 30 10 HDEE CNS(=O)(=O)C1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 550262879 BPDUCWWGYJLMJA-HNNXBMFYSA-N 408.524 1.344 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc1 552928535 IIKGZJSOIMTDBS-HNNXBMFYSA-N 415.475 1.769 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2cc(C#N)ccn2)c1 553739930 CQJWSUXWBANINL-UHFFFAOYSA-N 423.292 1.733 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCCO2)CC1 570585322 CSJIHHVVQLEFJE-GOSISDBHSA-N 404.559 1.470 30 10 HDEE COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2cccc(C#N)n2)CC1 571130944 SRRLFZNPUGVQGE-IBGZPJMESA-N 410.474 1.726 30 10 HDEE Cc1ccc(=O)n(CCN2CCCC[C@@H]2CNc2nc3c(cc2C#N)COCC3)n1 585623230 DXMJCSXYRDMBTM-LJQANCHMSA-N 408.506 1.858 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)O[C@H](C)COC)nc1C 586304670 QEZWSGIQTABDJT-BLBHWQHRSA-N 418.493 1.060 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CNc3ccc(OC)c(-n4cnnn4)c3)cc21 586320400 AHCWZJJIRBCYFL-UHFFFAOYSA-N 420.429 1.877 30 10 HDEE C[C@@H]1C[C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613156749 YYJOZIIPQDQPBF-WBMJQRKESA-N 405.422 1.188 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 670233381 YYKGGUBLLBQPIG-CZUORRHYSA-N 422.559 1.514 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)cc1 731129147 HZPMHPGWAVOTOZ-UHFFFAOYSA-N 419.481 1.859 30 10 HDEE N#C[C@@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CCN1C1CC1 732664699 TUWWAVZVMCREGZ-CYBMUJFWSA-N 410.446 1.218 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)CC1 742446711 GXPJKBKSOBXYLT-KRWDZBQOSA-N 404.536 1.446 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@H]1CCS(=O)(=O)C1 746151557 JEELHTNKJZLHKK-ZDUSSCGKSA-N 401.481 1.270 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=Cc2ccc(N3CCOCC3)cc2)C1 749779199 QELJDMCCTSBQAS-OAQYLSRUSA-N 418.538 1.347 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)OCCCO1 754462222 VOIPJUANTMVRDZ-HNNXBMFYSA-N 409.508 1.553 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cn4cccc(F)c4n3)nc2)CC1 755551729 GTGXGVNZLXHLRM-UHFFFAOYSA-N 417.470 1.251 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)s2)c1=O 763298780 DVCLSRYPNLBCSO-UHFFFAOYSA-N 404.513 1.499 30 10 HDEE C#CCN(C(=O)NCc1cc(N(C)C)nc2ccccc12)[C@@H]1CCS(=O)(=O)C1 774239072 AGLRTYMLFMORFE-MRXNPFEDSA-N 400.504 1.633 30 10 HDEE CC(C)N(CCCNC(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1)S(C)(=O)=O 777177845 WWDXHZKETKKCDW-UHFFFAOYSA-N 421.519 1.575 30 10 HDEE N#CCOc1cccc(CC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 779597288 OSKAXSMHCMIMPL-UHFFFAOYSA-N 411.483 1.735 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl 779877326 MIJUYXYCYNUOIW-NSHDSACASA-N 408.885 1.920 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)[C@@H]1CCS(=O)(=O)C1 780302170 FCAGIBYQBPYQEX-OAHLLOKOSA-N 404.517 1.721 30 10 HDEE C[C@@H](OC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)N(C)CCC#N 782406533 XXASGEDVJNLVMB-SECBINFHSA-N 410.224 1.697 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1C[C@@H]1CCCO1 782918955 JUIZKZDFANZHNR-INIZCTEOSA-N 413.886 1.704 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCc2ccc(N3CCOC3=O)cc2)n1 783349353 GRZROBJKWKQVBW-UHFFFAOYSA-N 410.434 1.721 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)cc1 783452081 NJEWBFZOPMQOPN-UHFFFAOYSA-N 400.416 1.386 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(CC#N)CC2)[C@H]2CCCO[C@H]2C1(C)C 783637426 DAXKTIOXSYZFLQ-MRUHUIDDSA-N 406.527 1.753 30 10 HDEE CCN(CC)C(=O)c1ccc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 787173878 ALLKWPUANSQXJK-UHFFFAOYSA-N 422.485 1.981 30 10 HDEE Cc1sc2ncn(CCC(=O)O[C@H](C)C(=O)NC3(C#N)CCC3)c(=O)c2c1C 787601060 WYWSJKYSNIVONN-GFCCVEGCSA-N 402.476 1.959 30 10 HDEE C[C@@H](OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)NC1(C#N)CCC1 787802977 HDEQDPMLSQYBTR-GFCCVEGCSA-N 417.466 1.811 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nc3ccccc3nc2N2CCOCC2)n1 788559435 VYWJKXOJNRSKBN-UHFFFAOYSA-N 406.490 1.949 30 10 HDEE C[C@@H](CC(=O)Nc1cn(Cc2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 790037594 QELMZLXXULYLGK-AWEZNQCLSA-N 424.486 1.782 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 794496065 XSIYKGCODAZGOF-RIYZIHGNSA-N 412.471 1.477 30 10 HDEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)Oc2cccnc2C#N)c1 795283672 QKRLWLJSTLIMDO-VOTSOKGWSA-N 404.400 1.924 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)n1cnc(C#N)n1 798503470 KOLBPLWJIJNRHH-LBPRGKRZSA-N 418.299 1.864 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 799851622 HGHZYVFBNWYAPF-LEOMRAHMSA-N 400.479 1.993 30 10 HDEE Cn1nccc1CCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124345 DQOXPIVJTAXTJV-UHFFFAOYSA-N 415.244 1.631 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1C#N 810023556 YEZQRYBHSXMUKF-LLVKDONJSA-N 404.393 1.827 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccccc3)n2)o1 1084151098 ONOWJQOGNNMXCE-UHFFFAOYSA-N 400.468 1.995 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1131941410 QEJQPYDJSBUOJD-LJQANCHMSA-N 420.531 1.835 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)c1cccc(OCc2ccccc2C#N)c1 1132012249 VLDAWIMMJRLERO-UHFFFAOYSA-N 409.442 1.936 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOC1 1149498309 QJAYNICACKZQSS-DMPORUKFSA-N 407.467 1.222 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1149909164 SBTUOERNFRPBTL-ZWKOTPCHSA-N 409.527 1.243 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)cc1 1154065003 WBGQNWMJNNIBSE-QGZVFWFLSA-N 406.891 1.585 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(C)(C)O)C[C@H]3C)n[nH]2)c1C 1154419399 VHLCVFCBKSSHKZ-CQSZACIVSA-N 400.527 1.993 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nc2c(s1)COCC2 1157367166 YDXYUULKWNETFP-UHFFFAOYSA-N 420.516 1.003 30 10 HDEE COCCOc1ccc(CNC(=O)COc2cccc(Br)c2C#N)nn1 1160159563 WINJMRQJLJVONR-UHFFFAOYSA-N 421.251 1.831 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OC 1161357439 PXHCPPAYWBGUCV-LBPRGKRZSA-N 424.383 1.041 30 10 HDEE C[C@H](CC#N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1161792647 NZYPSLBQCSGATJ-HYVNUMGLSA-N 419.526 1.930 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)c1 1162409758 ANJBIRODABVVRW-SFHVURJKSA-N 401.444 1.628 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cnn3cc(Br)cnc23)nn1 1193475971 OVWCBSWVJCSOHI-UHFFFAOYSA-N 412.273 1.138 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(C)(C)CN1CCOCC1 1195054671 HOMCXQVRDOSRIA-GOSISDBHSA-N 419.595 1.500 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1210874437 KHQWBJVJNOTBBK-QZTJIDSGSA-N 407.511 1.703 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1213706400 KWSXGRRXEKYGMA-NSHDSACASA-N 406.323 1.887 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1286302353 LNPVTRAAYMYWOV-MRXNPFEDSA-N 407.478 1.511 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1286409496 MRSGAPQYZYEOSO-LSDHHAIUSA-N 408.474 1.688 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1nncn1-c1ccccc1 1286414477 XGZOLJWBTBVIKY-GOSISDBHSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F 1286419805 FWBRWPAGVNOHHV-ZDUSSCGKSA-N 419.473 1.940 30 10 HDEE C=C(C)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599474 VRFMDPNFGILPLO-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F)C1CC1 1286731603 QVTYAQMQUKAREP-UHFFFAOYSA-N 405.409 1.462 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1286764527 RQNCECWISMWXJB-BCOMRZATSA-N 417.535 1.968 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1286772304 ATJKZJASNGUZKL-CQSZACIVSA-N 405.480 1.332 30 10 HDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286772622 MFQZHDGOHJZILV-UHFFFAOYSA-N 416.913 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286783465 RTHXZWXEIPSKKG-HNNXBMFYSA-N 416.913 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CC2)C1 1286798946 PRNHVGIADFJJDM-JMGYQRAPSA-N 407.540 1.207 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1 1288486523 FUDASQVADNIHEB-UHFFFAOYSA-N 415.397 1.524 30 10 HDEE N#C[C@]12CN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)C[C@H]1CS(=O)(=O)C2 1289436090 DKOHUPGRVACKMN-HNAYVOBHSA-N 418.475 1.208 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1289511467 PGQSNAYGSBEUOI-BEVDRBHNSA-N 410.536 1.673 30 10 HDEE CCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1293833182 BPTQGSDELLPYSQ-IFXJQAMLSA-N 418.523 1.549 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1298086388 CLFXUCVBXCSDGD-UHFFFAOYSA-N 407.478 1.946 30 10 HDEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1299621914 WDAPWANKNQXXFL-QWHCGFSZSA-N 416.404 1.097 30 10 HDEE C[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C(=O)OC(C)(C)C 1299687718 DAYBXXXLWQFWLM-CXAGYDPISA-N 421.519 1.694 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 1300483484 KFTZPLHTSONFEA-GOSISDBHSA-N 402.520 1.969 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300498797 NGXRGNCYUNETHY-RCCFBDPRSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1300509287 IYJYREHOALEAAO-RIFZZMRRSA-N 419.551 1.166 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1300830320 FIFFQEJDEHZPSO-CYBMUJFWSA-N 406.350 1.603 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1301069794 FTYRMTXZGROESF-NQIIRXRSSA-N 405.543 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301493128 VBHYYVKSEOIMAC-MRXNPFEDSA-N 412.494 1.218 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301498528 PWCNPMLZBRJZGL-UHFFFAOYSA-N 424.553 1.971 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1301509561 JAMFXVOFEUHCGW-YESZJQIVSA-N 400.527 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1301569211 SUWSCQPPXQSMES-WBVHZDCISA-N 411.572 1.709 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H](O)C2CCCCC2)ccc1F 1301842158 PGOQTQFAOUVEHK-SJLPKXTDSA-N 414.499 1.322 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 1301957493 FNXBSOUKECDHPZ-KBPBESRZSA-N 423.963 1.810 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[C@@H](O)C2)cc1 1302991191 DJEGULRNSGLOJV-SJLPKXTDSA-N 415.519 1.603 30 10 HDEE CCc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306085453 IENDDNMMGZETND-ZCXUNETKSA-N 418.498 1.202 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC(S(=O)(=O)N2CCCC2)CC1 1307721432 JSEHJOSLLVWNCR-UHFFFAOYSA-N 415.515 1.176 30 10 HDEE C=C[C@H](CO)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1307952258 RBMNYALMHQDGLQ-CYBMUJFWSA-N 401.916 1.590 30 10 HDEE C#CC[C@@H](COC)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1311318450 SATLURGLTRJLSZ-HNNXBMFYSA-N 420.514 1.511 30 10 HDEE CCN(CCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1313797874 GGKCNHBZUDQBMN-OAHLLOKOSA-N 405.528 1.750 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H]1C 1314557391 FFLRZFRUPGOIAK-LSDHHAIUSA-N 402.524 1.991 30 10 HDEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1314669573 BTMIHKZMAVTYCL-UHFFFAOYSA-N 403.531 1.222 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 1314871408 LHNAQULRRMJSTK-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1315754186 JEWWTZLLJIFJDO-UHFFFAOYSA-N 410.478 1.073 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(NC(=O)NC)c2)c1 1356458638 ZULSYDHOLIOLEP-UHFFFAOYSA-N 420.469 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1358894394 NUIFMIXBTJJXCJ-HNNXBMFYSA-N 414.535 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CN(C)C1=O 1358987485 IICXLYLRRNZQMY-QHCPKHFHSA-N 421.501 1.904 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359049644 TXAZOLBOOCXELD-AWEZNQCLSA-N 402.528 1.300 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359126335 MRFMRYUVDFJPDM-QZTJIDSGSA-N 420.558 1.166 30 10 HDEE C=C(C)COCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1359131277 OCELCWQVGCQTEC-IBGZPJMESA-N 424.505 1.970 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCOC1 1359256843 RKCZINGCWYBUCI-DENIHFKCSA-N 409.490 1.998 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(C)C)CC1 1359297133 GIZWWFPRZQIZIL-UHFFFAOYSA-N 414.485 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359297718 ZTCGDEPWBBAILL-UHFFFAOYSA-N 411.510 1.337 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1359302911 XVCNGMCQYAVKOQ-FQEVSTJZSA-N 423.565 1.878 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(N)=O)cc2)C1 1359319312 XCMRFEPOWZKPSX-GOSISDBHSA-N 422.493 1.999 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(O)CCOCC2)C1 1359319765 FROJKJWVQCWDEU-QZTJIDSGSA-N 406.527 1.885 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)c(OC)c1OC 1435396299 JIEPCMYYEBNFNI-NRFANRHFSA-N 417.462 1.317 30 10 HDEE CCCCCCNC(=O)[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1442586757 QGYDPRLOXCFWDJ-OAHLLOKOSA-N 403.483 1.146 30 10 HDEE C[C@H](Cc1cccc(Br)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1442609166 GVPMVRDPCSWYBD-LLVKDONJSA-N 405.252 1.721 30 10 HDEE N#C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1cccc(C(F)(F)F)c1 1443536393 VGCKGCCRLVCRMB-GFCCVEGCSA-N 423.376 1.995 30 10 HDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@H](C#N)CO 1449519825 MBBGRZMAODYOMV-TZMCWYRMSA-N 403.298 1.043 30 10 HDEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1452499487 SMGCENKFYJMUNR-AEGPPILISA-N 418.494 1.719 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@](O)(c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1453480822 ACBRYIUHDUXSKH-OAQYLSRUSA-N 413.499 1.921 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462354338 DZJMOAONWOESLX-ICSRJNTNSA-N 413.437 1.919 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cccc(CC#N)n2)C1 1462447132 XUHUSSOYAPWGFB-BFUOFWGJSA-N 420.491 1.368 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1466821087 BWROASDRKUBKEU-HNNXBMFYSA-N 412.402 1.161 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cnn(C)c3)c3noc(C)n3)cc2C1=O 1468483268 NNIRQPBHEGBANT-INIZCTEOSA-N 406.402 1.413 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1NC(=O)C[C@]12CCCC[C@H]2C 1470108968 VTRZHSYJAIFKFZ-TYILLQQXSA-N 404.492 1.437 30 10 HDEE C[C@H](COc1c(F)cccc1F)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1470760751 GONBZQZFLVNZKH-SNVBAGLBSA-N 405.361 1.133 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[C@H]1C#N 1471051516 SLBVRGGVEKKHQK-FZMZJTMJSA-N 400.298 1.878 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C(=O)OCC 1471584878 OZFQLCZJXDCHJA-ZIAGYGMSSA-N 400.472 1.847 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1471832425 DUFYCTHSOQRBBM-IBGZPJMESA-N 405.564 1.864 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1474930289 APFHRQZQFNXLTH-UHFFFAOYSA-N 407.496 1.642 30 10 HDEE CCOCCOC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1478404929 WNVIQBPRJVJYKN-NVXWUHKLSA-N 410.515 1.973 30 10 HDEE CC1(C)[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1(F)F 1479028790 PBGNRRUMMKPZOD-HNNXBMFYSA-N 412.462 1.865 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1503436510 GSUKXBMOPVGDSW-QFIPXVFZSA-N 424.505 1.273 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504899307 DGRMZUYQCOLRPV-FOIQADDNSA-N 413.457 1.277 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507554618 VWVYQZPNWNVAKS-NRFANRHFSA-N 402.543 1.521 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507622702 LDBKCNHBUIPXBT-RYRKJORJSA-N 407.584 1.901 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1507631334 OFZCZNKWGGUANF-QGZVFWFLSA-N 416.551 1.742 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1507687804 SIEDWQWNRNFTAB-HXUWFJFHSA-N 422.533 1.569 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1508039397 NRSSORRHMOMQPY-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)C1 1508127302 URITWLQBEAYMOE-IRXDYDNUSA-N 420.539 1.167 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1 1516834580 PJQPXDGSQOPYHL-UHFFFAOYSA-N 405.528 1.733 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1522867754 HFXQJSXZACQUPP-UHFFFAOYSA-N 410.459 1.950 30 10 HDEE C=CCC1(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CCOCC1 1525144169 VPZXKJDKDXCJLD-UHFFFAOYSA-N 412.508 1.931 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 1526454063 HRXGZXMEWBCVFM-UHFFFAOYSA-N 413.434 1.720 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1529366746 UKFXAPHSDUSRAJ-RRFJBIMHSA-N 406.464 1.804 30 10 HDEE COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 1532536949 OLLCCAFJDCKHDO-PELKAZGASA-N 412.269 1.907 30 10 HDEE Cn1ccn2c(CNC(=O)c3cccc(COc4ccccc4C#N)c3)nnc2c1=O 1533943997 ZKJOGIFKLWCLFI-UHFFFAOYSA-N 414.425 1.809 30 10 HDEE C=CCOc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1537448782 ZGPXEQVKGXBHIN-BQIYRTECSA-N 421.515 1.809 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3noc4ccc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1538539765 LTIWUMQUTKPBEZ-QFYYESIMSA-N 424.276 1.530 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1539141307 FLARQDQBPMCOSH-OEMYIYORSA-N 404.511 1.800 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1539414641 XPGWNPFXYSZQPP-QGZVFWFLSA-N 416.526 1.108 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1539432149 YMCPDHSTVWZJSI-DXIQSLLYSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCCOC)CC1 1539434216 DAUPIPFAKIODKP-UHFFFAOYSA-N 421.343 1.838 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(OC)nc2)CC1 1539481868 HMDAVJLWIUKRSL-UHFFFAOYSA-N 410.522 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1539611834 FIWBWGYNUYUSND-XHSDSOJGSA-N 418.498 1.038 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1539632794 UHCDBHIXQOTTMD-MLHJIOFPSA-N 424.567 1.777 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539709722 GIMUJOFMXXNQTL-MRXNPFEDSA-N 400.508 1.716 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539998337 GDAZGDPNEUHJLT-JKSUJKDBSA-N 422.555 1.200 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1)C1CC1 1540109780 TXSIFJGQUAJINQ-DLBZAZTESA-N 423.583 1.303 30 10 HDEE C[C@H](C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)n1cnc2c(N)ncnc21 1540502652 FOJLNRFWCFZCGW-OAHLLOKOSA-N 404.478 1.576 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1540799345 CLUUKJVRDVEGID-SFHVURJKSA-N 420.554 1.306 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1540904358 MLTCBBDNLBBYEU-UHFFFAOYSA-N 421.571 1.138 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1544679662 ATDSDZHWALGNHV-QKPAOTATSA-N 411.424 1.140 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccn3)C2)s1 1545869798 XQFBBICTDMFEMH-CQSZACIVSA-N 406.533 1.545 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1 1556768198 QPIYDWOSUDRBND-GOSISDBHSA-N 400.504 1.597 30 10 HDEE C[C@@H]1NC(C(=O)N(C)CCOCc2ccc(C#N)cc2)=NN(c2ccccc2)C1=O 1556855832 XCEQDLSWWOGQLH-INIZCTEOSA-N 405.458 1.872 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](CN3CCCC3=O)C2)ccc1F 1557564962 CKYXVCHNMSWCSB-CQSZACIVSA-N 409.483 1.375 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NOCCN2CCCC2=O)CC1 1557719740 RJIFHMHZGXWLJT-UHFFFAOYSA-N 413.434 1.693 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N1CCC(C#N)CC1 1583830040 ICKKOCBPFZMHPG-ARFHVFGLSA-N 411.524 1.419 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)N(C)C 1587922026 QBOSIMOXFHYURT-UHFFFAOYSA-N 412.519 1.763 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1588246001 YMWZHGJBCVIISZ-LJQANCHMSA-N 410.522 1.122 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCCn1cnnn1 1588560949 XKGSRUVPLAVVLM-GOSISDBHSA-N 410.457 1.985 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588742149 OICDBSYFMDIDHC-QGZVFWFLSA-N 410.513 1.513 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCO[C@@H](C)C1 1589052981 BUFAYCWTWWNERP-AWEZNQCLSA-N 403.508 1.987 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCOC2)C1 1589442494 AJEPHOQAYHGECZ-KRWDZBQOSA-N 410.316 1.926 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@H]1C 1589495388 QMHBPQWDGRMOBQ-MTNOOBJLSA-N 421.542 1.650 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1 1589568523 KEFJBOCXGKEYTN-JTDSTZFVSA-N 416.526 1.083 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1589708300 IEPRBEWSGBJVCC-CQSZACIVSA-N 410.544 1.056 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1593695636 GTIFWQMZKDOORQ-UHFFFAOYSA-N 408.466 1.945 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1593886957 UQYGSBHXYJNEIC-KGYLQXTDSA-N 407.899 1.158 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC)[C@@H](C)C1 1595506625 HNGCSIVQDNMJSL-AWEZNQCLSA-N 403.918 1.826 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 1595555454 ABXDFCBQEDTDMB-UHFFFAOYSA-N 422.489 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nccn2C(F)F)C1 1595664569 GURILBCYCWWHSG-CYBMUJFWSA-N 409.441 1.838 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595905004 AHKQPAQMLXKEPY-HUUCEWRRSA-N 420.539 1.522 30 10 HDEE CCc1nnc(N2CCC[C@](C)(OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613994551 RFIQOYGZNFHIHD-IVFAQJDTSA-N 402.499 1.762 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCO1 1617941946 QMQDOHVAFIDYPQ-AWEZNQCLSA-N 401.282 1.135 30 10 HDEE CN(CCCc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnn(C)n1 1618213129 MKSQIBAEQALHQC-UHFFFAOYSA-N 414.477 1.853 30 10 HDEE CNS(=O)(=O)NC1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 1618605813 QXGZRDKFDIFDSD-UHFFFAOYSA-N 415.519 1.624 30 10 HDEE Cc1c(Br)cnn1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618730725 JIOWTUNLPYFTGH-MRXNPFEDSA-N 416.279 1.743 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)C[C@@H]1O 1620302321 ZVTMHNWAYNJWEO-BEFAXECRSA-N 407.478 1.902 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C)(N4CCCC4)CC3)CC2)o1 1620474930 HVMBZXXWWIGTNL-UHFFFAOYSA-N 400.527 1.454 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(F)c2OCC(F)(F)F)CC1 1621495352 QLUZHOWXRFAVKW-UHFFFAOYSA-N 409.405 1.352 30 10 HDEE CCOC(=O)N1CCN(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1622426639 DZOJZWLQNJPJGB-UHFFFAOYSA-N 421.523 1.136 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1625298961 BJPLVJRWHHPGBQ-CMDGGOBGSA-N 422.489 1.130 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccnc(C#N)c2)C1=O 1626740779 XFPJZQBKQLSIBR-OAQYLSRUSA-N 407.430 1.354 30 10 HDEE N#Cc1c(F)cc(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1F 1630916012 FKISHBXBKSSSQP-ZDUSSCGKSA-N 411.364 1.974 30 10 HDEE Cc1nc([C@H]2COCCN2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)no1 1634169423 FKCZETAQEQDJNV-QGZVFWFLSA-N 407.434 1.933 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC3CC(NC(=O)OC(C)(C)C)C3)CC2)c1C#N 1634181338 JPPMDYHINBNXQI-UHFFFAOYSA-N 416.526 1.942 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1636327937 OKBYPVWKHDSPDX-WMZOPIPTSA-N 404.492 1.165 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)NCc1ccc(CC#N)cc1)C1CCCC1 1636450428 AKBIZOZHUCHGGJ-GOSISDBHSA-N 407.540 1.507 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)cc1 1636768886 RCMDTFNQMJFZSG-UHFFFAOYSA-N 417.878 1.267 30 10 HDEE COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1637460720 XLLISMMBIHRANY-INIZCTEOSA-N 419.459 1.524 30 10 HDEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1638404006 GEXLSYXLGONCRJ-ZBFHGGJFSA-N 421.519 1.805 30 10 HDEE COC(=O)[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC1CCCC1 1640253243 BQQHRMBKJHSYLV-KRWDZBQOSA-N 421.519 1.896 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](Nc1cc(F)c(C#N)cc1[N+](=O)[O-])CCS2(=O)=O 1640506109 IBVVTTZMDDSTEK-VMBJYNEYSA-N 411.411 1.916 30 10 HDEE CC(C)Oc1cc(Br)ccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033639 FPBORWRNPLMMLT-UHFFFAOYSA-N 421.251 1.800 30 10 HDEE C#CCN(C)CCCNC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1641723970 NUNYNPFJAWVHII-JOCHJYFZSA-N 407.555 1.990 30 10 HDEE CN(C)CCC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 1643980433 IPRFTDXPCRBNNT-RTBURBONSA-N 419.595 1.500 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2cncc(C#N)c2)cc1OCC 1645990223 WDTHSKYXHNVTBY-UHFFFAOYSA-N 418.475 1.345 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1 1646348170 DQLPDFFMXVBPPR-SFHVURJKSA-N 413.522 1.828 30 10 HDEE C[C@@H]1O[C@H](C)[C@@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C 1648013373 SHLCDWBNCGEZLP-ZTENYAIWSA-N 413.478 1.856 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1648091973 CAHIOQFIVJNMCQ-FXAWDEMLSA-N 419.437 1.743 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648939882 CXWVZDBERAFKFE-UHFFFAOYSA-N 402.382 1.337 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCOC2(CCS(=O)(=O)CC2)C1 1655109454 LONVATYDUPLZGW-ZDUSSCGKSA-N 411.911 1.818 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OCC 1663976021 PEODJTPNFNSCJZ-OAHLLOKOSA-N 410.492 1.547 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)CC1 1665159066 HTRYVYBTLVCHTH-UHFFFAOYSA-N 418.512 1.516 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@H]1CCCO1 1668796666 MJAWNOXBVNSDEK-UONOGXRCSA-N 401.872 1.824 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 1672340317 OOLSGQNLFIEURD-IBGZPJMESA-N 404.474 1.763 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 1673115495 SCVFRSMSLSOYKZ-UHFFFAOYSA-N 406.508 1.625 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)C1 1681435155 SQPDWHRCZVHRBH-JYJNAYRXSA-N 408.499 1.773 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC[C@@H]3[C@@H](C#N)c3ccccc3)nnc2c1=O 1685240857 QLDKNJFKSVAJAR-DLBZAZTESA-N 405.462 1.452 30 10 HDEE C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1686196723 IROXLOVVABFJLV-WDTWZTHCSA-N 402.413 1.774 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1689851368 PIWRKDDFXKZLTK-KGLIPLIRSA-N 421.489 1.522 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)C 1690047663 WMZWNYNETTWPKD-GOSISDBHSA-N 421.567 1.510 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690077373 NGJLFOUVTBVBSC-KSZLIROESA-N 423.583 1.139 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCc2c(OC)cc(OC)cc2OC)CC1 1690126353 YZNXGTUTVJKCFP-UHFFFAOYSA-N 413.522 1.864 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690315546 DZSSFMXRFNINQL-FQEVSTJZSA-N 423.521 1.959 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)OC)C1 1690691601 HKNPEGBKFNSGAC-QAPCUYQASA-N 410.482 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1nccs1 1690727043 SJFZLTKATKBGQW-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCS(=O)(=O)C1 1698227179 AFGIQSSGDITWLM-WCVJEAGWSA-N 411.528 1.175 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1705493490 JXNXXMALFYBUNE-QFBILLFUSA-N 420.517 1.858 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)Cc1ccccc1 1705580113 DFOXHNQHNLFXBX-HXUWFJFHSA-N 404.518 1.824 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705745010 WFTASJYVPCSWNB-INIZCTEOSA-N 401.920 1.184 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705751153 BRJKTKIEQLOGIW-IBGZPJMESA-N 415.885 1.907 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 1705781351 WQUADIVXATUQIJ-AWEZNQCLSA-N 407.544 1.267 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705830892 XPXMEOLMYMQTOH-XMTFNYHQSA-N 424.567 1.492 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1705834939 WOINTTNJWJSSOF-CQSZACIVSA-N 412.560 1.302 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(c2ccccc2CO)CC1 1705908533 ROFRDAHHSVUPGH-UHFFFAOYSA-N 413.522 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2CC2(O)CCN(C(C)C)CC2)C1 1705929535 SGIWIQJJMUBXQZ-GOSISDBHSA-N 407.559 1.831 30 10 HDEE COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1712471199 BBMKZSFMCRQZOV-FOIQADDNSA-N 406.506 1.804 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C2CC2)C1 1712710553 KUJDOEGBAPTVMR-GOSISDBHSA-N 414.535 1.992 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC2CCOCC2)C1 1712876657 RZVJTVRMBDCQGP-LJQANCHMSA-N 401.446 1.763 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1722280498 VYXQMPBBLMMGIA-JXFKEZNVSA-N 405.499 1.619 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1722353866 VEAVKMGQDLTTEV-CYBMUJFWSA-N 405.480 1.043 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1722363100 YZQIYLSXRNYZKC-AWEZNQCLSA-N 406.537 1.115 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCCNC(C)=O)CC1 1722435579 KYQQGLXKIMVOTD-UHFFFAOYSA-N 417.517 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)C(C)C)CC1 1722448128 SHZXZCUJNSAYPZ-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1722494593 QFJXHHZXUCGPPX-CYBMUJFWSA-N 414.304 1.333 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](C(=O)OC)C1 1722700426 JGVGIEQAIQUQHW-MRXNPFEDSA-N 413.478 1.179 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(COC)CCCC1 1740532395 FNDXEJBKQQSONS-HOTGVXAUSA-N 411.572 1.943 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740615769 KVESYIJSYBCENR-NQIIRXRSSA-N 416.547 1.936 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1740685581 OGWIVNXVVDARQU-WOJBJXKFSA-N 418.586 1.284 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](F)COC)CC1 1740700162 IKYUPAAYMRZGLF-INIZCTEOSA-N 405.449 1.736 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@@H]2C)CC1 1740705855 NHYBQOUHTLFTSU-JQHSSLGASA-N 412.538 1.631 30 10 HDEE CC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741024617 MZKDTPIFKHXZHZ-SFHVURJKSA-N 414.535 1.918 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1741801691 CIRDRZOFGAHHIK-GDBMZVCRSA-N 401.515 1.807 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1745947472 HZBHIMINLSXPEU-INIZCTEOSA-N 401.492 1.355 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1748682334 UKAIAULKKQIDPW-JKSUJKDBSA-N 412.519 1.409 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1CC 1748900302 CTKCQAJEDYYIQR-UHFFFAOYSA-N 422.518 1.392 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1748983746 BIRZHHWOFDTYSV-BGYRXZFFSA-N 423.565 1.595 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)CC)CC1 1749016924 QCHWOPVFCHOFDV-QFIPXVFZSA-N 410.522 1.391 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCCCS(C)(=O)=O 1749073743 XVICVHQOPFBLIR-HXUWFJFHSA-N 421.567 1.608 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1749144295 WQUAHQVQPPIXET-OAHLLOKOSA-N 422.555 1.346 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1749590767 FVEOOBWTZJJBJF-QZTJIDSGSA-N 415.494 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749721964 XQSABRFLMUDDCM-JKSUJKDBSA-N 411.572 1.887 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)COCCO1 1751304346 WLGAJPWVMNWHCV-UTKZUKDTSA-N 410.478 1.324 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760144424 OKKVHGQKXAOOPG-PKOBYXMFSA-N 416.570 1.767 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccn1C(F)F 1760167736 ATNHCGAMXGGBBN-UHFFFAOYSA-N 410.392 1.630 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1760188396 KNEBUQXKFKIEJO-MRXNPFEDSA-N 419.551 1.089 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1760236095 IJRQCAVZWDQICZ-KRWDZBQOSA-N 413.497 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(=O)NC1CCCCC1 1760250646 MJDABOQOXXVPPZ-UHFFFAOYSA-N 410.522 1.799 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOCC2(C)C)CC1 1760262279 KPVAFKCECBLSPD-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1 1760289099 MDWMGNUMKLCGEE-YVEFUNNKSA-N 423.568 1.283 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCN(CC)CC2)C1 1760547920 UONAUOYNKQNAOD-WOJBJXKFSA-N 418.586 1.939 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1760564740 GJALZXLCXGLOPD-HZPDHXFCSA-N 408.572 1.305 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1767105551 UVXMRSNCXQFXKL-UYAOXDASSA-N 415.586 1.938 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCNS(C)(=O)=O)c1 1768775173 CBVLHVVIHSDUMZ-CQSZACIVSA-N 406.512 1.489 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCN(C)C1=O 1849165138 CHXMLDRYFYSXHM-SJLPKXTDSA-N 405.520 1.333 30 10 HDEE COCCn1nc([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1849419278 IWDLNTNBVHCZAM-SFHVURJKSA-N 409.490 1.846 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1850124002 IDFLVNZMUOWCRO-LJQANCHMSA-N 403.548 1.693 30 10 HDEE Cn1cc(C#CCNC(=O)c2cn(-c3ncccc3-c3nc(C4CC4)no3)cn2)cn1 1850446480 GMMHBPSEBCMQFN-UHFFFAOYSA-N 414.429 1.710 30 10 HDEE CN1CCN(C(=O)C[C@@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1=O 1852144999 UHLOPOOBLDKQLK-FQEVSTJZSA-N 402.454 1.946 30 10 HDEE COc1cc2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)[nH]c2c(OC)c1OC 1852384475 QSQYNIQFJKDTQB-UHFFFAOYSA-N 422.445 1.818 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2ncn3c2CO[C@H](c2ccc(C)cc2)C3)NC1=O 1852679831 YXKULGBAENAWNF-INIZCTEOSA-N 407.430 1.398 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCn3cccn3)C3(CCCCC3)C2=O)CC1=O 1854093347 WDFDISYNQWDVFG-GOSISDBHSA-N 413.522 1.291 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1854189924 MALKMSQZEGLHAK-UXHICEINSA-N 408.502 1.727 30 10 HDEE COc1cccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)c1 1854380440 VHIZTJIKPKLJAY-KRWDZBQOSA-N 402.428 1.657 30 10 HDEE Cc1ncc(CC(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)s1 1854406690 SHXUSEUEUOBMET-IBGZPJMESA-N 423.542 1.811 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccnc4nccnc34)C(=O)C2)C1 1855045204 CLQJFTXMXLAXAI-CVEARBPZSA-N 407.478 1.076 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@H](C3CCN(CCCC#N)CC3)CC2=O)CC1 1855061204 SWALNVKDEGLMMO-GOSISDBHSA-N 404.511 1.856 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1 1855184346 HMWYJTRGCOQFNF-FQEVSTJZSA-N 404.474 1.231 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1=O 1855435175 JZAYJTXOXDRSRY-QAPCUYQASA-N 418.519 1.730 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 1855734626 UHWVLRKOIBRMCM-INIZCTEOSA-N 411.483 1.857 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2CCc3ccccc3O2)c2ccccc21 1855773655 ABFBRFNSOVYSCI-SFHVURJKSA-N 411.439 1.613 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)cc1 1855907382 YMHITHJINRJWRH-MOPGFXCFSA-N 408.502 1.959 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1856049301 FXXGICRIBDLLNM-OAHLLOKOSA-N 422.407 1.784 30 10 HDEE CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCCC2)C1=O 1856257666 GUNKCABDCDKNSE-UHFFFAOYSA-N 418.519 1.182 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccncc4F)C(=O)C3)C2)s1 1856309473 PGRUDWOPPVYHJM-AWEZNQCLSA-N 413.478 1.713 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCCN([C@@H]4CCOC4)CC3)CC2=O)cc1 1856922636 ARXDWVJGJIESLT-NHCUHLMSSA-N 410.518 1.272 30 10 HDEE COc1cccc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c1 1857071307 IZUVVDSMYJFCGT-IBGZPJMESA-N 405.458 1.525 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3ccccc3-n3cnnn3)C1)CC2 1857198341 HFOKBGBDVOHRMC-HZPDHXFCSA-N 405.462 1.277 30 10 HDEE COCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC4(CC3)C[C@H]4C#N)ccc21 1857220882 ZRNHNUWVBLVJAP-AWEZNQCLSA-N 403.460 1.063 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@@H]1CCN(C)C1=O 1857239525 CHVNUARYYOHLJH-FUHWJXTLSA-N 403.523 1.287 30 10 HDEE COc1ccc(C#CCSCCOC(=O)C2CN(S(=O)(=O)C3CC3)C2)cc1 1857364691 MYUUXUZDMCYSCF-UHFFFAOYSA-N 409.529 1.747 30 10 HDEE CCOC(=O)CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1857955937 QJVXLBNCRAANJP-UHFFFAOYSA-N 405.476 1.596 30 10 HDEE C=CCNC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861775112 UKLRDVORBXQWFW-ZDUSSCGKSA-N 413.927 1.935 30 10 HDEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)c1 1862558446 XIZPZAOAFBCMJG-LJQANCHMSA-N 409.442 1.992 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535832 ROUFGCGCCZWAEY-MRXNPFEDSA-N 410.478 1.957 30 10 HDEE CC(C)N1C[C@H](c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)CC1=O 1874564465 GAIAGNASKCQTNT-OMEHRSSBSA-N 406.424 1.493 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 1986135881 GERAPSMMYUPVBL-HXUWFJFHSA-N 410.320 1.909 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@H](CCS)C(=O)O)C1 2059761508 YTBPXTOSFGSXFA-KHYOSLBOSA-N 410.492 1.692 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2118171861 XQGXCZARFDNAKN-VWLOTQADSA-N 400.482 1.359 30 10 HDEE C[C@H](NS(=O)(=O)CC(F)(F)F)c1nscc1B1OC(C)(C)C(C)(C)O1 2130083337 VQVKAQDTPNDRTR-QMMMGPOBSA-N 400.253 1.985 30 10 HDEE C#CCn1ncc(NC[C@H]2CNCCN2Cc2ccccc2)c(Br)c1=O 2140607255 ORKKTFLMSLVTHT-MRXNPFEDSA-N 416.323 1.525 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 2183268801 AJHZXYQOMRLORV-UONOGXRCSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@H](S(N)(=O)=O)CC1(C)C 2239522064 BJLCHSCOINAHEF-CHWSQXEVSA-N 402.517 1.242 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2243407292 PCNPZQLFLUCUCV-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]12 2243429700 GVVRFKUILZNMKO-KFWWJZLASA-N 406.288 1.372 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2247865331 STPRMZQSSMYRMB-GJZGRUSLSA-N 421.303 1.024 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247916077 PILJYZKERBVHMF-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2249999370 VEYGMJGMOYQFDL-JKSUJKDBSA-N 422.331 1.745 30 10 HDEE N#C[C@H]1CCCC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258169393 ICXSMBZMNIISGM-OAGGEKHMSA-N 409.464 1.368 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N=[S@](C)(=O)N3CCOCC3)s2)OC1(C)C 2282205927 XZNMTPSSWNTBON-SANMLTNESA-N 400.331 1.533 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CC[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315675 QWVGIJOTLMNDJF-XELLLNAOSA-N 421.415 1.791 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@H](N)C1 2282317631 ULJJIYIEBVDBQX-STQMWFEESA-N 400.375 1.904 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)C 2282346818 QRTCBHPXICBBFM-CYBMUJFWSA-N 403.331 1.523 30 10 HDEE C[C@@H]1CNC(C)(C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282354205 NPWDNXHEQJASDP-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)C[C@@H]1C 2282585700 OVJQPHQVUOIHAP-JTQLQIEISA-N 400.331 1.010 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NCC2(S(C)(=O)=O)CCC2)OC1(C)C 2282612743 VWFBDVBNOLBXEI-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282685615 IAKIJLUIIZRKJS-HNNXBMFYSA-N 402.300 1.996 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(C)CCNC1 2282832051 IOPZSSXKOJYRES-QGZVFWFLSA-N 400.375 1.634 30 10 HDEE C[C@H]1[C@H](N)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871689 KUSNQYUQLIKIRW-GXTWGEPZSA-N 400.375 1.689 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCC[C@H]2N)OC1(C)C 2282874498 BFLBARQJFXYWPK-TZMCWYRMSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC3(C2)CS(=N)(=O)C3)OC1(C)C 2282881763 BYYDYBFTSFJKFS-UHFFFAOYSA-N 418.371 1.098 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSC[C@H]2C(=O)O)OC1(C)C 2284393455 KXWTVMGEMYAOCM-NSHDSACASA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(CC(=O)O)CCC2)OC1(C)C 2284406615 AJUAOKCNPOLAKU-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@](NCC#CBr)(C(=O)O)CO2 2324779978 PWTJQERYHPSXBF-QGZVFWFLSA-N 417.300 1.945 30 10 HDEE C=CC12CC(CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2326729509 RNWNVQGXMORPGP-WUJZJPHMSA-N 408.476 1.736 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H](CS)C(=O)O)C[C@H](P(C)(C)=O)C1 2344177674 QKAHUPXCUNAKQU-SRVKXCTJSA-N 408.457 1.734 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2362569168 ZMEBZINYFNSDDJ-LLVKDONJSA-N 418.371 1.002 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C)O1 2365209634 HRUVPVQECIMGDV-FZKCQIBNSA-N 402.557 1.862 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C 2367792886 SDYNZMJRYHNGDG-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367856527 RVCQXBAJSNCVEG-GOEBONIOSA-N 401.525 1.684 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)CSc2nc(O)c(C#N)c(CC)n2)n1 9004886 DWIYPESLVSHNFB-UHFFFAOYSA-N 407.477 1.909 30 10 HDEE C=CCSc1ccccc1NC(=O)COC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 24108475 IYVCBVCFZKZTNN-MDZDMXLPSA-N 415.471 1.557 30 10 HDEE CCN(CC)CCNC(=O)c1cc(Br)c(N=C2NCCN2)cc1OC 33884136 WRAKXNMTDBGULD-UHFFFAOYSA-N 412.332 1.710 30 10 HDEE N#CCCN(CCC#N)c1ncnc(N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] 40618188 VLGLHMARALFKEX-UHFFFAOYSA-N 407.438 1.740 30 10 HDEE CN1C(=O)C[C@H](NS(=O)(=O)c2cccnc2C#N)[C@H]1c1ccc(Cl)c(F)c1 428416194 DSGBFKLUTZOGLU-SUMWQHHRSA-N 408.842 1.996 30 10 HDEE Cn1ccnc(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)c1=O 465232271 GXWWGSASEFFXQW-UHFFFAOYSA-N 416.441 1.802 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)Cc1ccc(C#N)cc1F 478150135 NOYBTDHXOGHRNV-LLVKDONJSA-N 409.464 1.626 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)ccc1F 488673683 YQMWFAMQBRBMBF-UHFFFAOYSA-N 408.499 1.453 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 495436223 KTTCNNUGVWCQNC-LJQANCHMSA-N 402.414 1.507 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 504437376 ZAJUBMSCKFOXIF-ZWKOTPCHSA-N 420.531 1.938 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3ccsc23)CC1 508997810 KMQIDEHMVAUJNB-OAHLLOKOSA-N 413.507 1.883 30 10 HDEE N#C[C@H]1CN(C(=O)NCCC2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 511568108 SRCLUWDEAOTKBO-IBGZPJMESA-N 404.536 1.621 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNC(=O)c3cccc(OC)c3)cc2C1=O 514079252 APNCOEYRZHZBGO-UHFFFAOYSA-N 407.426 1.637 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CCC(=O)Nc3nnc(C4CC4)o3)CC2)cc1 524342921 BFMMGQOMYLUFRC-UHFFFAOYSA-N 408.462 1.882 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)o1 530540166 JQCRMMPIAMLOPQ-QGZVFWFLSA-N 415.494 1.169 30 10 HDEE C=CCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 532718493 QPPYZRMAGWPRBX-LJQANCHMSA-N 419.547 1.083 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 538699576 AIHGDIBIULSIJW-UHFFFAOYSA-N 415.519 1.553 30 10 HDEE CCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549362997 RMDZAJSTMFZNRQ-KRWDZBQOSA-N 411.510 1.802 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 553248557 AFMRCEDHXMJDKU-GOSISDBHSA-N 420.535 1.644 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCOC2)CC1 555477110 CZYQJBYUBDQSAN-QGZVFWFLSA-N 416.489 1.970 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCOC2)CC1 555498034 PGNYCZCRDKCTCM-SFHVURJKSA-N 404.559 1.327 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O)C(C)C 560169815 AANZNRDLPRJDNI-SFHVURJKSA-N 416.497 1.865 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 564381542 XMTXYVPPLIQEFB-RHSMWYFYSA-N 403.508 1.878 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 575205916 ZKYSNXAOPHOGEG-GDBMZVCRSA-N 406.508 1.132 30 10 HDEE C=CCn1c(SC[C@@H](O)CN2CCOCC2)nnc1[C@@H]1COc2ccccc2O1 588635971 OONFXKJRAHTUPE-YJBOKZPZSA-N 418.519 1.762 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 604182352 BWVCGFHHJPZVCJ-INIZCTEOSA-N 421.492 1.421 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 611258243 AEFATYNKAAMADH-UHFFFAOYSA-N 421.523 1.470 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1ccc(Br)cc1 727447965 CTMVHUQXFKYOEK-QARUFBMTSA-N 418.334 1.872 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)OCCNc2ncccc2C#N)cc1C 732504473 WILCLABISLAERG-UHFFFAOYSA-N 402.476 1.846 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 735852667 DIOJDGRTZVFHQY-FBMGVBCBSA-N 424.288 1.954 30 10 HDEE COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2=O)cc1C#N 746665530 QYCJBWYUTXERDL-HXUWFJFHSA-N 400.435 1.998 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1C#N 747495258 KYYYNQUNIPGSQY-GJZGRUSLSA-N 423.473 1.830 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(F)c2)c1=O 748065376 NAHAEGXMPDLOPQ-UHFFFAOYSA-N 416.474 1.576 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C)CC2)cn1 751926557 VRUIKJMIBUVLBF-OAHLLOKOSA-N 406.556 1.703 30 10 HDEE Cc1ccnc(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 756246292 HOUTXHTWUYDRTR-UHFFFAOYSA-N 413.503 1.620 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 756643995 CTBAHZHCLSOIQD-KCQAQPDRSA-N 416.927 1.805 30 10 HDEE C[C@](CO)(NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472793 BIWCTMDGTIEUKW-HSZRJFAPSA-N 422.437 1.480 30 10 HDEE CCN1CCN(c2cccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2)CC1 771270918 BTKOIPAMKJFAOE-FMQUCBEESA-N 412.494 1.476 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 775985574 CPPWCDMTKPNEKE-JUVXEETASA-N 421.523 1.617 30 10 HDEE C=CCCC[C@H](C)NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 776043061 WNBLXPSNRMINSK-NSHDSACASA-N 410.320 1.955 30 10 HDEE C[C@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC(=O)NCC(F)(F)F 780178115 QZZFKOWTXBUHNL-BJOHPYRUSA-N 409.361 1.568 30 10 HDEE C=C(COC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)OCC 786315318 YKVVQOUVSKQVNI-UHFFFAOYSA-N 400.453 1.545 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCC2CS(=O)(=O)C2)C1=O 786684158 WCJDCNDIZHOYEA-HNNXBMFYSA-N 409.533 1.497 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(CCOC)Cc3ccnn3C)ccc2c1=O 787991668 HMHOYECNFPTRAJ-UHFFFAOYSA-N 413.503 1.894 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 788044925 SBDKRKWDHBMUCZ-JOCHJYFZSA-N 421.505 1.537 30 10 HDEE C=CC[C@]1(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)CCCN1C(=O)OC(C)(C)C 790581303 JJAJTCPNZYFBBB-QVKFZJNVSA-N 422.526 1.185 30 10 HDEE Cn1ccnc1[C@](O)(CCNS(=O)(=O)Cc1ccc(C#N)cc1F)C(F)(F)F 790852283 IXBIHULFFMENQW-OAHLLOKOSA-N 420.388 1.690 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 794579801 OYUAWEQYQOZVBB-GOSISDBHSA-N 421.457 1.440 30 10 HDEE CN(C(=O)[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)c1ccccc1 797454180 IEVJRWYEHAHULC-AMGRQBIBSA-N 411.462 1.207 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cnc3n2CCC3)CCCN1C(=O)OC(C)(C)C 802208117 UMWDEMRYLGDVON-LJQANCHMSA-N 424.523 1.980 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 807922420 CJWOWSXFMHJSNU-KRWDZBQOSA-N 400.479 1.707 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cc(O)cc(C#N)c1 809618610 KVHYXUFOARKFPL-UHFFFAOYSA-N 402.451 1.415 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CCCN1C(=O)OC(C)(C)C 809710933 DIQOGLZMCMQGQV-BTYIYWSLSA-N 418.494 1.274 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(C(C)C)nc2C2CCOCC2)CC1 856593528 QHOYOKXRTJKHKL-UHFFFAOYSA-N 403.527 1.418 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1)C(=O)OC(C)(C)C 856715961 PAEXAHVHJQOYTG-HXUWFJFHSA-N 406.483 1.398 30 10 HDEE C=CCN(C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 919989756 SMNXWLMPZLXRPQ-SQRWCISFSA-N 404.492 1.520 30 10 HDEE CCCN(CCc1ccccn1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 921057475 MIYXJHAVEPYQIO-UHFFFAOYSA-N 400.504 1.992 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccncc2)n1)NCc1ccc2c(c1)OCO2 1084145455 CDJPZZTVFVFAKI-UHFFFAOYSA-N 411.447 1.783 30 10 HDEE C=C1C(=O)O[C@@H]2CC(C)=CCCC(COC(C)=O)=C[C@H](OC(=O)[C@](C)(O)CO)[C@H]12 1084659774 SQQDHMIYFXZFNM-BMQTXXJKSA-N 408.447 1.359 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 1129262565 CDNOFFAMHGOZMZ-MSOLQXFVSA-N 404.478 1.855 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2=O)cc1 1132344396 RMJQTCRHEZGVOM-LJQANCHMSA-N 417.469 1.753 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)OC(C)(C)C 1137442028 RVXNWKOZVOAFSL-WOJBJXKFSA-N 415.534 1.856 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1143719798 GRWKSYUGFPQFLQ-HXUWFJFHSA-N 422.510 1.821 30 10 HDEE Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392885 MIEPUAHEDVBJFB-SNVBAGLBSA-N 411.340 1.284 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1159762385 NYXXUQLQYUQQKI-UKRRQHHQSA-N 402.447 1.690 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@H](O)c1ccc(C#N)cc1)CCO2 1160315013 FMMUKXIKHBGDLI-UTKZUKDTSA-N 401.463 1.830 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1165508479 PITYYPLGCPMXFB-MSOLQXFVSA-N 416.474 1.562 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](CN4CCCC4=O)C3)ccc2c1=O 1167346981 XBCOUAUQXLPATQ-AWEZNQCLSA-N 412.515 1.956 30 10 HDEE CO[C@@H]1COCC[C@H]1N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1175750428 UEHISNCZTIETAH-VAMGGRTRSA-N 404.486 1.270 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)cc1Br 1185675593 RANPIVPUHLUEFZ-CYBMUJFWSA-N 424.313 1.540 30 10 HDEE CC(C)[C@@H](NCc1c(C#N)cccc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 1194010718 YOASIJQCGFYJGP-LJQANCHMSA-N 411.466 1.777 30 10 HDEE C=CCCn1cc(CN2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)nn1 1204744911 ZBNYPYDYWOTQRR-UHFFFAOYSA-N 403.508 1.216 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 1230648188 IIADAQPGYZDFEE-MRXNPFEDSA-N 424.498 1.223 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1 1231353298 DKPRYJDUJLRFBR-UHFFFAOYSA-N 418.519 1.886 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cc2S1(=O)=O 1274742525 QACHGHBDJMOGAT-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCOC1 1286432148 YYBCWEQDECUXMB-UGKGYDQZSA-N 408.458 1.405 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C2CC2)C1=O 1286432299 DRCJQSFUAQQIOP-QHCPKHFHSA-N 419.533 1.614 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(=O)NC)c2)CC1 1286481371 USWIFSDYEMCFSR-HXUWFJFHSA-N 422.533 1.335 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[S@](=O)CC)CC1 1286483756 XPYCHBACMJMJCJ-SSEXGKCCSA-N 424.574 1.805 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCOCCOC)CC1 1286490777 RNZWOBRRFHJSQC-UHFFFAOYSA-N 403.527 1.565 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286600899 FFEHIUUQRIPGPO-QGZVFWFLSA-N 415.542 1.812 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1286751144 ATPOALSWSXBDKU-INIZCTEOSA-N 407.540 1.660 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1286786332 QYYJBIKLMBVWRC-IRXDYDNUSA-N 410.478 1.579 30 10 HDEE CO[C@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCSC1 1289099020 FYBVGULMNGJPNO-IBGZPJMESA-N 423.560 1.597 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1296567954 CQQFOXJEIARGJO-ORYQWCPZSA-N 419.526 1.600 30 10 HDEE O=C(NCC#CCO)c1csc(I)c1Br 1297016734 PMQKMABAQSDKIZ-UHFFFAOYSA-N 400.035 1.841 30 10 HDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)Cc2ccc(Br)cc2C#N)C1 1297260279 LQFPKHUHCDYQKU-DYVFJYSZSA-N 411.296 1.736 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1299674837 FCPPBCRSDVTNSA-WFASDCNBSA-N 417.325 1.825 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1300329899 STWFFMQANZIQLM-YUWJWYLASA-N 419.526 1.658 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300449242 GEISENVGYITOIR-IBGZPJMESA-N 424.549 1.966 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1300464440 FDKZFGMVDMXUDE-MRXNPFEDSA-N 402.476 1.437 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CC2)CC1 1300683214 XJKVWGYVMOUMPA-UHFFFAOYSA-N 408.506 1.427 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)S(=O)(=O)CC)CC1 1301081002 ZCRVUVXDBJAJMW-HNNXBMFYSA-N 410.544 1.057 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301249561 URXYYSREGJGHTL-SFHVURJKSA-N 413.526 1.629 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@@](C)(C#N)C2)cc1 1301266476 WUZRQCAYMCDRNW-KPFFTGBYSA-N 405.520 1.696 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301577839 OOJWSNNLAFLHLZ-IRXDYDNUSA-N 416.551 1.614 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1301985730 BQMOHVNFWWHRQU-HUUCEWRRSA-N 417.535 1.990 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1nc(C#N)cs1 1304187629 SDDRCGYJJHPYFZ-JSGCOSHPSA-N 407.540 1.857 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)C1=O 1309445131 NVGHYYWDWSBJIF-AWEZNQCLSA-N 400.884 1.842 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1312487114 VNDBDMVXEXAQTA-RTBURBONSA-N 417.469 1.941 30 10 HDEE C#C[C@H](NC(=O)NCCS(=O)(=O)NC1CC1)c1ccc(Br)cc1 1312936958 NGMRUJIUGMXAJC-AWEZNQCLSA-N 400.298 1.504 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1313359958 IEIGYLXAQCMDDC-ALOPSCKCSA-N 406.483 1.637 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cccn2)CCOC1 1314111689 DVQSUOOEQIMOJH-RTBURBONSA-N 403.462 1.659 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1315033191 GMWJJLNMDRTMQB-UHFFFAOYSA-N 409.450 1.572 30 10 HDEE COCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1315845836 AVRYAXZEZRXVIF-DLBZAZTESA-N 405.499 1.344 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1316265730 YSNPYBXDCPCBJU-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2CCCO)CCO1 1316539931 HYNFBXLFSVUMDX-MOPGFXCFSA-N 402.543 1.586 30 10 HDEE C[C@@H](CONC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)NC(=O)OC(C)(C)C 1320886533 LAYYGVODISACCU-DZGCQCFKSA-N 402.451 1.872 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nc(S(C)(=O)=O)ccc2Cl)c1 1355123918 QGWBHZWQGOFCMX-UHFFFAOYSA-N 405.863 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1358877386 CYZICVJNLRMAOV-LLVKDONJSA-N 401.272 1.737 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1358926511 RDCBDEZJSBPOCO-UHFFFAOYSA-N 421.553 1.889 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)CC1 1359036153 OOGZTSMUIOMXBO-IRXDYDNUSA-N 423.608 1.221 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359225601 DWRFZGLSRMYJDM-GOSISDBHSA-N 412.498 1.373 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C(C)C 1359301319 WQXDTFZKIORWGA-HNNXBMFYSA-N 421.523 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1359328280 YXWYGVYARUZXME-MRXNPFEDSA-N 405.528 1.083 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359333282 SRLOBVLYCKZXCK-KBPBESRZSA-N 412.512 1.582 30 10 HDEE C=CCN(C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1)[C@H]1CCS(=O)(=O)C1 1359875108 HJSAWORDLZDRCB-QWHCGFSZSA-N 417.578 1.243 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(c4ncccn4)CCC3)C2=O)cc1 1438878792 XAEHAHFWJXSBDU-MRXNPFEDSA-N 404.430 1.749 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]([C@H]3CCOC3)C(F)(F)F)C2=O)cc1 1439859961 JAVSFPHTBPGSDJ-BJJXKVORSA-N 424.379 1.847 30 10 HDEE CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1446521261 QXAONGLJSMKUEX-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 1452858539 KNGOOZUDBGEPPT-SFHVURJKSA-N 400.500 1.978 30 10 HDEE CCOc1nc(C(F)(F)F)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457205542 YSDZCYAVPKEWRT-UHFFFAOYSA-N 409.324 1.330 30 10 HDEE N#Cc1ccc(C2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)nc1 1460514629 MKDSEFMCQIFORC-UHFFFAOYSA-N 413.503 1.809 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1460692187 LJDZEOUUJALBDH-UHFFFAOYSA-N 407.536 1.506 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 1462273359 RIAGAOZDIBZWLU-HNAYVOBHSA-N 405.451 1.632 30 10 HDEE C[C@H](O)[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1466464747 GVNVTONMDDJCHY-HNAYVOBHSA-N 405.520 1.721 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C2=O 1469871866 HOFFGTYMISLZIV-IIDMSEBBSA-N 412.490 1.797 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C 1469875093 UBMHBDMRHOSSQJ-LLGFUMIMSA-N 403.479 1.810 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1470074019 DWTYYNKDDLLWJY-YJBOKZPZSA-N 407.536 1.918 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2cc(C#N)cs2)cc1OC 1472143482 RCQZOEODGSBGQM-UHFFFAOYSA-N 423.516 1.964 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CSC1 1476000879 ZZZGECXLNMJCKN-UHFFFAOYSA-N 413.496 1.429 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(C(=O)OCC)ccc2I)C1 1476990132 UVIBKGHXCJZHSZ-UHFFFAOYSA-N 414.199 1.680 30 10 HDEE C[C@@H]1C[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCO1 1493324875 APXUOHYKLMJFPN-DJIMGWMZSA-N 407.540 1.735 30 10 HDEE C[C@H]1COCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1494595379 UKPYBYLNXUEURY-DNTCVELPSA-N 414.510 1.762 30 10 HDEE CCc1nnc(N2CCc3ccccc3CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1499022664 RZQUIXJFCALQGX-MRCUWXFGSA-N 406.490 1.972 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCC2)cc1 1504312229 BPDFRKUEKBBPME-GOSISDBHSA-N 413.478 1.900 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507631007 AYQHGJWWOUYIFQ-CVEARBPZSA-N 419.551 1.087 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2sccc2C)CC1 1507725812 AWYQHRPWSKRSGG-UHFFFAOYSA-N 412.563 1.768 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCCC2)CC1 1507731451 IYEMNRFOXJTZQH-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CC(N)=O 1507810563 XHFKEQNCEBTLLP-MDYRTPRTSA-N 415.542 1.821 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)NCCCC)CC1 1508090400 NDPMNFCRJWKBET-UHFFFAOYSA-N 402.543 1.981 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C#N)CC1 1516836718 IOGFSMSPFQEVCX-INIZCTEOSA-N 410.544 1.589 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)OC 1518719430 CQMIVUJOLORVGI-IAGOWNOFSA-N 412.450 1.119 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518748738 JBVVESJVBLQWNU-DOMZBBRYSA-N 402.430 1.301 30 10 HDEE COC[C@@H](F)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518759131 SVZPBGPAUHOGFG-KRWDZBQOSA-N 423.452 1.783 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1519400967 DKZLUJWVKAGZJJ-KRWDZBQOSA-N 412.450 1.121 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1533479790 UZOHZQZLYMYDGD-IAGOWNOFSA-N 408.520 1.596 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C(F)(F)F)c1 1536467983 USHCDPYOQUWRFM-HSMRXVHUSA-N 421.375 1.830 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1539011666 CSAWBSOEVZADTE-ATIWLJMLSA-N 421.567 1.505 30 10 HDEE C#CCCCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1539065007 ACZJPIPQPSWKNE-GOSISDBHSA-N 421.567 1.590 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1539182464 DGDAGCQDIXFAHO-OAHLLOKOSA-N 417.460 1.711 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1539259511 DOADRAUGHRAIJC-KRWDZBQOSA-N 424.505 1.047 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(O)cc1 1539423195 UHKWHHXMLNWIAR-HKUYNNGSSA-N 400.479 1.842 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1539515099 XMUJCCGSBFGJNH-FRRDWIJNSA-N 417.457 1.752 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539751704 SHIJIKWBBFTGIO-HZPDHXFCSA-N 400.545 1.634 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)CC1 1539847411 FDUOHCDLJLQWQV-AWEZNQCLSA-N 406.512 1.525 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCOC2=O)C1 1540891153 PYYRJNGMPXMLSC-SJORKVTESA-N 405.499 1.796 30 10 HDEE CCO[C@H]1C[C@@H](O)C12CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1544356116 SVFXCFMMGQMRSO-SJORKVTESA-N 410.467 1.515 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1545243064 FPXSNCFMESJNDV-IXKJSCDLSA-N 416.523 1.127 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(O)cc1 1546527458 GODMEYZZFSSTEG-UHFFFAOYSA-N 406.494 1.835 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCOC1 1552913357 QOLCAZAQSXXJRT-CVEARBPZSA-N 409.450 1.030 30 10 HDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555270386 WWUJYCHNHPJVOC-OAHLLOKOSA-N 411.441 1.803 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1555611850 FWHAWSFGELBNGW-BZUAXINKSA-N 413.544 1.565 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1F 1555945348 DSMKUFNDGPBNJE-KDOFPFPSSA-N 410.457 1.785 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558543633 WMLBWAMTWJHHMI-CXAGYDPISA-N 402.882 1.986 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)CC3(CO)CCCC3)CC2)cc1 1559639856 DZRNSJMKPCXIDW-GOSISDBHSA-N 407.536 1.168 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1561641655 VBHOZYXFGWGHBP-ZDUSSCGKSA-N 413.293 1.381 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)CO1 1564690557 UBZLWELKCGVJAN-CIVUBGFFSA-N 412.490 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CC[C@](O)(CC#N)C2)CC1 1565316380 NONVRIRIYBTOFG-OAQYLSRUSA-N 423.558 1.769 30 10 HDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566872871 MLMUNKSWIFUYDH-SJORKVTESA-N 408.495 1.816 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)Cc2ccc(C)c(C)c2)cc1 1570097581 XTGOVETZTZFODA-LJQANCHMSA-N 400.500 1.548 30 10 HDEE Nc1noc2cc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc12 1570503399 LWFZQCQZRLKSFC-UHFFFAOYSA-N 413.459 1.545 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2ccnn2C)c1 1570742454 YDTDAAGXJQTFAH-HXUWFJFHSA-N 423.498 1.728 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1585056670 ZTSUSZQECVAMHM-MRXNPFEDSA-N 409.531 1.242 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 1586494049 RWOQDYWPILXBCS-UHFFFAOYSA-N 407.536 1.507 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1587278866 BVCMLMCFRZBCCL-CQSZACIVSA-N 400.298 1.403 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1587975328 XQJCUZLZHWXJFL-GOSISDBHSA-N 405.506 1.602 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC1CC1 1588445663 PWLYDZGEFKDQNF-UHFFFAOYSA-N 404.540 1.424 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(F)c2)CC1 1588749814 AJORMYKRCGWEET-QGZVFWFLSA-N 401.486 1.945 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1589078378 NCIGKYTZJDOFND-IEBWSBKVSA-N 418.611 1.586 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1594971177 DVTMJUYYVDOKJE-UHFFFAOYSA-N 403.437 1.943 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595319159 BNKIFYLGOGGSFO-UGSOOPFHSA-N 409.487 1.311 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2nnn(C)n2)C1 1595743998 IKRSVJCTAOKHMA-GOSISDBHSA-N 408.510 1.807 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(O)c2ccccc12 1596470605 WFISUUAJCOGYKF-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@H](CC#N)C(F)(F)F)cn1 1596783593 OCSYPYVDJBFPGC-SNVBAGLBSA-N 407.399 1.857 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1597707664 RXDMUWVUWQAMPG-KRQILSMLSA-N 415.519 1.925 30 10 HDEE Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1612424304 HKSLYKPMJUTCHQ-MRXNPFEDSA-N 412.429 1.394 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1613010210 ISMMQQNLUOXDGW-VFNWGFHPSA-N 410.478 1.432 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1616205272 GMRCVNJLDAAAIH-ZYSHUDEJSA-N 409.462 1.178 30 10 HDEE CCOCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1617143681 XENDPCWHBFYIQE-DXQAYGFFSA-N 418.498 1.171 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1618794264 DDUHXONQHCHYTB-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C[C@H]1CS(=O)(=O)C2 1620635737 XQWLYFVUXCIIIQ-SCLBCKFNSA-N 420.491 1.758 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)OC)c(O)c2)s1 1625176013 RMBNSJZGWXIRQI-UHFFFAOYSA-N 410.473 1.886 30 10 HDEE C=CCOC[C@@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)OC 1626204953 RKDJKQDCGWNPLU-QGZVFWFLSA-N 403.431 1.903 30 10 HDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1626239600 WAGSXBOGPQIXNY-CYBMUJFWSA-N 406.460 1.540 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)CCS2(=O)=O 1627429637 GSXWOHJIRXMDJY-FIWNRLKKSA-N 416.499 1.871 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(C#CCO)c2)cc1 1629073895 QNRGCWPBXUWBKU-UHFFFAOYSA-N 400.500 1.788 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1629349301 CURVXEOWQHSULX-KRWDZBQOSA-N 407.511 1.391 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnncc2O)CC1 1633104532 NIDMJZVGKUDMBC-HNNXBMFYSA-N 402.252 1.967 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(S(=O)(=O)CC)CC2)s1 1634467030 TWBRBSRXOLDRBB-UHFFFAOYSA-N 420.578 1.181 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1635949449 ZQAYKQITTVLVPE-MRXNPFEDSA-N 419.482 1.984 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1636288229 FZBTWISRZIVUMQ-YWZLYKJASA-N 424.482 1.697 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1)C(=O)OC(C)(C)C 1637609748 UDNXRTWGDWSYMC-KZNAEPCWSA-N 421.538 1.515 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 1638019054 RRERPGILPYJLNI-AWEZNQCLSA-N 402.513 1.375 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1640283236 BMQFFHYZBNKVNZ-SJLPKXTDSA-N 416.478 1.279 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C(=O)OCC 1642684146 WWBQXXXTTCAFNW-WFASDCNBSA-N 418.899 1.150 30 10 HDEE C=C(Cl)C[C@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(=O)OCC 1643051596 DBQTZIBIQDINLG-ZDUSSCGKSA-N 409.913 1.980 30 10 HDEE C#CCC1(O)CCN(c2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)CC1 1643098505 BQASEJXCFZIYCO-UHFFFAOYSA-N 412.494 1.973 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@@H](CO)[C@@H](CO)C2)CC1 1644011366 GMAYYLMKVKFXFW-GASCZTMLSA-N 400.435 1.082 30 10 HDEE COCCOc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Br 1646128486 ARLXSPPJVJGPPT-UHFFFAOYSA-N 423.223 1.247 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C 1646419744 ITCJSUVQMXIGMY-HXUWFJFHSA-N 405.520 1.440 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)C1=O 1647742795 KIUDWTSXIZIEPP-CVEARBPZSA-N 407.854 1.491 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC(=O)Nc1sccc1C#N 1655089812 GJROXMSRQCSKBH-GOSISDBHSA-N 410.496 1.146 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC(=O)Nc1sccc1C#N 1655089813 GJROXMSRQCSKBH-SFHVURJKSA-N 410.496 1.146 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(C#N)cc2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 1655918055 SUBFGUGTKMEMIC-KGLIPLIRSA-N 412.899 1.829 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C(=O)N(C)C)cn3)CC2)cc1 1656815429 XPEFNXDUZMSPGS-UHFFFAOYSA-N 413.499 1.997 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cccc(C(=O)OC)c2Br)nn1 1664570634 JVSKLJIKUSEALH-UHFFFAOYSA-N 415.269 1.492 30 10 HDEE CN(Cc1ccccc1)C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCCC1 1665339762 AIAYLXTZZVJQAP-LJQANCHMSA-N 406.552 1.880 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)OCC 1665496260 ACBNMHJYBWLMIH-SECBINFHSA-N 411.885 1.896 30 10 HDEE Cn1ccc(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 1672353070 NJKRGTBOWLVGSJ-FQEVSTJZSA-N 406.490 1.982 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1673611245 MEFZRORZHBXUIP-FXBPSFAMSA-N 404.492 1.491 30 10 HDEE COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1674298279 GPVDQDXQSREQQV-UHFFFAOYSA-N 418.479 1.147 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1674331558 BHUBBMDGCDQYGK-FPOVZHCZSA-N 400.571 1.678 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1678916714 FOWWJULZTWVBIN-NRFANRHFSA-N 403.479 1.411 30 10 HDEE C=CCC[C@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1681179380 YVCKNUYIEZAOEI-OAHLLOKOSA-N 422.530 1.800 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)n1 1687788624 JMXGKBQIPQTVBL-FQEVSTJZSA-N 400.483 1.114 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)N1CCOCC1 1689943202 NHZBXFBXHXGUHA-IEBWSBKVSA-N 417.554 1.905 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1689972377 MRKBQQPXYZVXNG-IRXDYDNUSA-N 402.543 1.358 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1689979765 GUXQHNJAAAMEME-OAHLLOKOSA-N 407.496 1.211 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689994082 QRIBACCRJLUSFV-SFHVURJKSA-N 414.531 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(F)(F)C1 1690032983 NXVRGHYHANTLOH-CABCVRRESA-N 413.494 1.787 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nnc(C)s2)CC1 1690137438 YVQFUULPHQHCDM-UHFFFAOYSA-N 401.540 1.750 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 1690138162 UFAIVJPWPFGTHW-HNNXBMFYSA-N 423.517 1.933 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)CC#C 1690159427 AKUVZRGPLLEPIP-UHFFFAOYSA-N 412.540 1.788 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690220331 WNFQVBLPWSIAIK-QWHCGFSZSA-N 416.320 1.578 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC)CC1 1690244494 XXEXOTAEXZRBLC-DOTOQJQBSA-N 412.498 1.178 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1690246602 WBLKRCZXUTZWAP-SCTDSRPQSA-N 416.526 1.269 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690508543 KVQLFUCLZDRWMR-SQNIBIBYSA-N 403.527 1.727 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO)C1CC1 1690545362 PDSISJZOBSFEJL-WMZOPIPTSA-N 423.583 1.182 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1690624495 TYAUIDSBBKNTQY-UHFFFAOYSA-N 420.539 1.131 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 1690670550 DROYABMQPRTGIG-ROUUACIJSA-N 404.559 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1690711892 KESQMKVLMBGLSZ-GOSISDBHSA-N 410.478 1.598 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCN(C)C 1692658759 ZDTMDMQQMRDDKJ-OAHLLOKOSA-N 400.483 1.990 30 10 HDEE C[C@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1693867040 GKINDMPSDIWJEM-RDJZCZTQSA-N 401.515 1.080 30 10 HDEE CC[C@H](C)N(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1694206031 UPMWZSAHHGWXOA-WAOWUJCRSA-N 420.558 1.778 30 10 HDEE CCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1696176148 GBHCHUJJJZZAKB-GDBMZVCRSA-N 418.523 1.761 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1696429448 RGOOCPNTWPPHGB-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1697000241 QSZGNMUFKAUZIH-QGZVFWFLSA-N 405.466 1.386 30 10 HDEE C[S@](=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1698321268 DLAWAIDCHDROSU-RXAIFQJESA-N 405.549 1.960 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCNc2ccccn2)CCO1 1698493550 UFHCVQLEHVYLJX-INIZCTEOSA-N 410.482 1.026 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705508609 QBYWTOFRUUILRB-MRXNPFEDSA-N 400.527 1.715 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1705542408 FYVPJMYDHCBMEB-DENIHFKCSA-N 419.570 1.745 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705565264 HQNAVFKGJOVXMU-OAHLLOKOSA-N 418.523 1.360 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC 1705572810 PHIQDMQUHXOUQI-UHFFFAOYSA-N 412.881 1.070 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1705572886 RVERAQONCVGYKX-OAQYLSRUSA-N 423.546 1.436 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NC)c1 1705627106 VQZYZJWFKHNOHS-UHFFFAOYSA-N 405.462 1.229 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1705634941 NDDLJYNEHDZCBH-COPCDDAFSA-N 417.554 1.237 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCCC)CC1 1705642577 YTURVZZKNCXLBB-UHFFFAOYSA-N 424.549 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCCC=C)CC1 1705648872 BGNGDDZLVIQGDU-UHFFFAOYSA-N 410.522 1.842 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC[C@H]1C 1705656202 RFWVFZQVJAEVMH-OAHLLOKOSA-N 410.507 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCSC1 1705669861 ZEXQKMWAZSTBPP-AQNXPRMDSA-N 406.552 1.790 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705829027 FKVKIOQIGBNEOO-HOTGVXAUSA-N 404.515 1.317 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC=CCO1 1706866186 HNAAVHZLLZUALP-HUUCEWRRSA-N 408.528 1.363 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)cs1 1707755307 KCGUKVSAQGWDAD-SFHVURJKSA-N 403.487 1.602 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 1708152663 QJJNJZGWRIQNQV-LPHOPBHVSA-N 424.505 1.965 30 10 HDEE CCOCc1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1710651996 AJPQPXPKWRFNQX-AMGRQBIBSA-N 418.498 1.204 30 10 HDEE CCOCc1nnc(N2CCO[C@](C)(CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710747672 WZKSYKCJODSUBX-CECJQHFESA-N 418.498 1.346 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(C)COC1 1711204060 XPSDGWSONQXETF-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1712487428 WRVSWELZYBSMHX-QFIPXVFZSA-N 423.521 1.063 30 10 HDEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1)c1ccccc1 1722540474 FGSGUSVFABNVEK-UHFFFAOYSA-N 421.505 1.863 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722604237 WNRFZLHCQCVSBJ-HZPDHXFCSA-N 410.540 1.926 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722618128 WHIMAYHLAJVAJX-QGZVFWFLSA-N 421.509 1.762 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722626400 LOYVEEZAMQYLIN-INIZCTEOSA-N 420.539 1.403 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1722681713 QVDYHTYAOPSUFO-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1722693440 NXVSPGCUSMHTOD-CQSZACIVSA-N 416.913 1.993 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCOC2)CCOC1 1723679058 SYNDEKJKGBGIIL-SFTDATJTSA-N 419.526 1.600 30 10 HDEE Cc1nnsc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1724123599 GUWSAWKHEBGDIW-KRWDZBQOSA-N 413.442 1.576 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1nncn1C 1729068521 HDVWHKJEPKQCTL-UHFFFAOYSA-N 407.482 1.190 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1730705223 LTIVRLRKYIVBKO-WMZOPIPTSA-N 410.478 1.480 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1730819814 QYJBYMNIKPTUNX-LSDHHAIUSA-N 413.544 1.423 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)C 1730853547 USQWSTUKRMHGFV-UZLBHIALSA-N 406.531 1.904 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1740540416 ZJWIDLPLRFABKF-XMSQKQJNSA-N 419.570 1.623 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740587680 RSYNPIGPFHIMIE-LJQANCHMSA-N 408.554 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1740680258 WPVVKOJTNFOPFG-UHFFFAOYSA-N 407.515 1.781 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNC(=O)C(C)C)CC1 1740692326 IIDSEMLHIRISKS-UHFFFAOYSA-N 424.505 1.201 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1740889123 ZGNQXQJPEQGAAA-CVEARBPZSA-N 401.515 1.937 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1740925680 MZMVGXJGOMTDGL-AWEZNQCLSA-N 419.507 1.844 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1740951021 AKUQCMQMURKVDK-UHFFFAOYSA-N 408.550 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Cn2cccn2)CC1 1740957169 CYXWIXZPBBBMCJ-UHFFFAOYSA-N 408.510 1.699 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740958168 JPGXONNXWTYMTI-SJORKVTESA-N 404.515 1.174 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740958984 YDVMGAYFHAIPQD-IRXDYDNUSA-N 403.527 1.953 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1740981832 XWSHUBQCMUFGMV-CABCVRRESA-N 405.890 1.561 30 10 HDEE CC1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1743122990 BUWNSHFOKLTIHY-GUXCAODWSA-N 403.506 1.792 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1743269256 WFQIYYDPPAUVDH-ORQRPPJRSA-N 411.466 1.413 30 10 HDEE CCc1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744632628 VTPVGHIIYAYGOA-JVMRMLDLSA-N 413.526 1.432 30 10 HDEE CN(CC1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747867438 BDNQADIYBUIRTI-HNNXBMFYSA-N 419.507 1.556 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1748075693 BVVIHKGJCVEZHZ-CQSZACIVSA-N 409.494 1.256 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1748790052 DROQTUZDXBAHLZ-MRXNPFEDSA-N 407.540 1.042 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC1CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1748814838 JVNKRVJGVFXTNH-NXYGQSRBSA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748817934 SVTOYQNVWHDCDS-IRXDYDNUSA-N 410.540 1.053 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1748826258 PUVHWUFCNHKZFD-ZWKOTPCHSA-N 420.583 1.083 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1748917338 VLZWQIRTIMSBFZ-UHFFFAOYSA-N 416.493 1.747 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1748994515 JIANHHLUDDXWPW-DEOSSOPVSA-N 420.561 1.687 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC=CO2)CC1 1749011157 WOMXZRWRIAIVTM-SFHVURJKSA-N 408.506 1.942 30 10 HDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1749034140 WRQYBVZRYXGIIP-CYBMUJFWSA-N 423.502 1.272 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749047523 YDTBATYVRBBOBD-MRXNPFEDSA-N 424.530 1.762 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749198735 SZJGYQCEIUSTFC-UHFFFAOYSA-N 412.523 1.797 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749398554 KMTYRTLBQKLEOX-BEFAXECRSA-N 407.540 1.601 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749427839 UXEZJHCCNRGMEZ-MRXNPFEDSA-N 421.567 1.595 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749629809 GPUVRCOXCPZMJK-HZPDHXFCSA-N 405.528 1.416 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682710 YUZOKIVECJKGMT-TWOQFEAHSA-N 423.583 1.951 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)C1 1749697145 HVIUOYVJSNEZAM-RXVVDRJESA-N 416.526 1.976 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1749723979 FBWHCURGXYMEOE-LJQANCHMSA-N 414.466 1.860 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)cc1 1750222736 HLBABMAPEOTROE-JWRCQZCYSA-N 410.503 1.929 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1750340653 LUZGOTINPAYPNU-SZVBFZGTSA-N 424.505 1.855 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1750565905 QBQRIHTZODANOJ-UHFFFAOYSA-N 422.497 1.102 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760144628 WRZQNAXXLLBZQP-MRXNPFEDSA-N 407.478 1.540 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1760183180 OULBCSAPIVWPNB-NVXWUHKLSA-N 421.567 1.477 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190921 WQOAZJHRBWUMSR-SJORKVTESA-N 406.552 1.672 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1760194697 OKCRZHYVAQRLQC-QGZVFWFLSA-N 420.583 1.226 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)C2CCCCC2)CC1 1760260522 VZQLSZDVOPNASS-UHFFFAOYSA-N 410.570 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1760264780 FHFOQGZEVYTBSC-UHFFFAOYSA-N 424.549 1.597 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1760322805 XUCVFOXTWODHGY-ULQDDVLXSA-N 412.556 1.634 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760445439 JVXHUJSXYISWOE-GOSISDBHSA-N 420.558 1.959 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760510204 KRMAEBQGEZAMJC-WZQKQDCOSA-N 408.549 1.740 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1760684451 AKCILNUUSNYPLV-QGZVFWFLSA-N 402.430 1.251 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1=CCCCC1 1761502626 QHWNEDIBPZEOQV-GDBMZVCRSA-N 408.528 1.508 30 10 HDEE Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1\N=CC=CC1=O 1762515916 PHHZBAGCILXMEU-ISLYRVAYSA-N 411.422 1.658 30 10 HDEE COC[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769210882 IHKDTPCJWGXKFI-LSDHHAIUSA-N 412.494 1.990 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1769835492 KJTYGILKSIKLEX-JOCHJYFZSA-N 410.522 1.746 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2Cc2ccc(C(N)=O)nc2)cc1 1771532521 DKVVDEKUAZRIEB-UHFFFAOYSA-N 403.446 1.586 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1772564416 XUJGHZQTQZTQAB-CVEARBPZSA-N 420.539 1.203 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 1852403956 QQEKYJQDPSMKNT-ZDUSSCGKSA-N 423.844 1.887 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(S(C)(=O)=O)CC2)c2ccccc21 1852673459 XFKNLHLSIZMYRU-UHFFFAOYSA-N 406.508 1.178 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(NCCn3nnc4ccccc4c3=O)CC2)CC1 1853599465 QAXSRKRQFVVUMT-UHFFFAOYSA-N 417.535 1.284 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1853696193 LLVCOKREZXCJOX-RHSMWYFYSA-N 423.922 1.656 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1CC(=O)N(C)Cc1ccccc1 1853937036 BWHPJSAFTDUQOP-QGZVFWFLSA-N 404.470 1.890 30 10 HDEE Cc1cc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)on1 1854244075 LBCNUVTUXSPAHT-IBGZPJMESA-N 407.474 1.722 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CC(c4nnc5ccccn45)C3)C2=O)c1 1854318759 HVRPGGZYNYMZFF-GOSISDBHSA-N 400.442 1.832 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCCC)cc2)C(=O)[C@H]1C 1854331031 SDIWQTZKXWFJKC-MRXNPFEDSA-N 407.536 1.966 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3cnccn3)ccc21 1854798042 INYRMIRCSRMTAJ-UHFFFAOYSA-N 400.460 1.679 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(F)cc3F)CO2)cc1 1855187576 BNYQGZDUUQWHKI-OAHLLOKOSA-N 408.382 1.927 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)C1(C)C 1856063137 BCIJZMMOLMEGPF-INIZCTEOSA-N 401.511 1.022 30 10 HDEE N#CCCN1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCCC2 1856631662 YLGWJNLDGAPWMN-UHFFFAOYSA-N 421.494 1.887 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 1857138605 KZEHMOCZXRPKHA-AWEZNQCLSA-N 409.467 1.919 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858337219 XZIRBTRSMKAHBE-MRXNPFEDSA-N 405.501 1.608 30 10 HDEE C=CCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609697 OTBIDGWBJMKMMC-SJLPKXTDSA-N 415.490 1.803 30 10 HDEE CN1CCC(=NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)NC1=O 1866026470 WFWUTMJKJHHZFG-UHFFFAOYSA-N 415.406 1.721 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 1870149851 QYRBHBBWNOIQLJ-LBPRGKRZSA-N 412.450 1.742 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN(C)CCO 1870740340 RBPDRBVSDXGRAC-UHFFFAOYSA-N 401.463 1.485 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871676471 CRKWKPRTJPBATF-UHFFFAOYSA-N 417.901 1.421 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871705424 IVIOSMODQDEYNB-UHFFFAOYSA-N 415.454 1.349 30 10 HDEE Cc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874336380 BJBOUHNRDZPTCY-PZEXIZOFSA-N 400.508 1.770 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4cnnc(N5CCOCC5)c4)CC3)cc2)CC1 1890282190 YBVGYJVTDXVFQD-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)c1 1891255201 MBLKSNGKFLRCOB-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)C#CBr)CC1 2054316031 MRLHKLNUWGJXCM-ZDUSSCGKSA-N 414.300 1.413 30 10 HDEE C#CC[C@@H]1COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2057296140 UKTRBIFINQXXJZ-AUUYWEPGSA-N 408.451 1.065 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](CO)C1 2116329196 HHHZCNLMRGEWJA-DGCLKSJQSA-N 401.510 1.516 30 10 HDEE C#CCN(C(=O)[C@H](CSCC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123549338 BWDVQWMKCMUOQY-KGLIPLIRSA-N 404.554 1.282 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174788438 FKTUNYQOCFDMGY-KRWDZBQOSA-N 401.529 1.873 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@]1(CO)C[C@H]1C(F)(F)F)C(F)(F)F 2192586653 ZYPUARYWDVPIIO-YRZRMSQOSA-N 404.229 1.663 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)ns2)OC1(C)C 2243418932 NSVMEAVFEIDDIX-UHFFFAOYSA-N 419.234 1.193 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247822068 BPJVEJKATHQYAS-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)OC1(C)C 2247827004 CWNBJJOYZGTAKO-SJORKVTESA-N 408.311 1.808 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247864863 MHCWZIKKBNJUCR-QGZVFWFLSA-N 416.205 1.862 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247913825 BBROWCWZZDDZLL-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248440329 ARTVYLPUUYLRNJ-CQSZACIVSA-N 421.303 1.595 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267468574 LLBBLRLHFXUHIN-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CC(C)(CN)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267710677 ZHPJPQFEIPHSAT-UHFFFAOYSA-N 408.782 1.964 30 10 HDEE CO[C@H]1C[C@@H](O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281948303 UEQLWRVMKPMFSY-MNOVXSKESA-N 401.721 1.923 30 10 HDEE COCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CNC1 2282061054 GDFGMQCNVQHYAS-UHFFFAOYSA-N 400.737 1.667 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282144586 ZHHBGSFZCCJGFB-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CNC[C@H]4C3)cc2Cl)OC1(C)C 2282305091 TVGUDSJEBKOHOP-QWRGUYRKSA-N 418.777 1.541 30 10 HDEE C[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)N1CCCC1 2282331580 PEFVURBPHATYDA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)Nc3nc4c(s3)CNC4)c2)OC1(C)C 2282344642 WPPJWRGRLHROSD-UHFFFAOYSA-N 413.355 1.908 30 10 HDEE CN(CC1CCNCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282345382 ZKQCHCPEWMDQOB-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@H](O)C2)OC1(C)C 2282500186 WEULXEMXOPHNMC-AWEZNQCLSA-N 401.359 1.724 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](N)C1 2282826590 SHRBABCKKRSZPK-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE C[C@@H]1OCC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834948 OFHXBAOBGREPGD-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848666 QIUBGLRXLPQUDA-JSGCOSHPSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@](C)(CO)C(F)(F)F)OC1(C)C 2282852257 MZHOHTIREGQQTH-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE C[C@H](CO)CN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871460 HKFFVXCYALAQEL-LBPRGKRZSA-N 403.737 1.888 30 10 HDEE CC[C@@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282884195 LHGLWJXMFXEZTO-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(OCC(=O)O)C3)sc2Cl)OC1(C)C 2284474515 LVFSBUAJLINATO-UHFFFAOYSA-N 401.677 1.626 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)n1C 2300293001 FLELSIVXHYACCK-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(C)[C@@H](N)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2362083673 DXRVIEIKEGVTSA-ZDUSSCGKSA-N 402.391 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367789760 SEWAHVFFPBBXOD-JKSUJKDBSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CCNC(=O)OC(C)(C)C 2367819379 OUPNZOBRLZVVHH-QAPCUYQASA-N 402.557 1.601 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379819496 DYTQTTYYJOSGGQ-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE C=CCOC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)[C@@H](C(=O)OCC=C)C(=O)C[C@@]1(C)O 4223235 BBCOINOLRRIEDE-PSHVLCQKSA-N 418.442 1.899 30 10 HDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc21 33272740 QJBQQZGMZVSRGY-UHFFFAOYSA-N 405.454 1.870 30 10 HDEE C#CCOC[C@H](O)CN(CCC)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207267 NYZINMJEASGBOE-CQSZACIVSA-N 421.519 1.692 30 10 HDEE C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N/O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)/C(CO)=N/O 77319416 BVBBLSHJIAJHSQ-MULTYENESA-N 406.479 1.051 30 10 HDEE in-vitro C=CCn1c(=C2C(=O)NN=C2C)sc(=C2Sc3ccc(OC)cc3N2C)c1=O 254761833 JJBPRKMYIBZIEL-UHFFFAOYSA-N 414.512 1.069 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]1(COC3=O)[C@@H](C=O)C(C)(C)CC[C@H]1OC(C)=O 257505859 ORDKVFHKMGUXSQ-JPCDUGAESA-N 404.459 1.609 30 10 HDEE biogenic N#C[C@@]1(c2cc(F)c(I)cc2[N+](=O)[O-])CCS(=O)(=O)C1 312582159 KQFXKXYYSVSDOF-NSHDSACASA-N 410.164 1.918 30 10 HDEE COc1ncc(S(=O)(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 404925276 JOALPZPLJMEEGI-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 409603757 KPPJCAUATGBZBY-AWEZNQCLSA-N 416.507 1.290 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 437982627 FHGKOMCZMJOJDP-APWZRJJASA-N 405.520 1.754 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCC1CCC(C#N)CC1 442152344 POSYSJLLYPIVCZ-UHFFFAOYSA-N 408.524 1.429 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 460931344 KPRIDOWJZIYJKX-KRWDZBQOSA-N 403.508 1.881 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 465396168 DBWFEUDDXYPBCL-KRWDZBQOSA-N 420.473 1.599 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1C 468776661 AWBQPDLMXAXIRG-UHFFFAOYSA-N 409.494 1.304 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 469350605 XSVBNNJIBHPELB-DFQSSKMNSA-N 404.482 1.941 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)nc3)CC2)c1C#N 472207823 RHXONAWMJPJLAG-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C#N)nc3)CC2)c(OC)c1OC 474460313 RRTWKOFNJRCHSU-UHFFFAOYSA-N 410.430 1.577 30 10 HDEE COc1ccc(-n2cc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)nn2)cc1 480740755 PTSSRNKRIRCEQX-UHFFFAOYSA-N 401.423 1.906 30 10 HDEE CN1CCN(c2cc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)ccn2)CC1 481043930 FFIQLWYEKFUNMG-UHFFFAOYSA-N 403.483 1.464 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(CN3CCC(O)CC3)cc2)cc1C#N 489421382 FXEQNCOWDQYZFB-UHFFFAOYSA-N 400.504 1.697 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C(F)(F)Oc3ccccc3)n2C)CC1 508552272 MYJIQJOYDLVMCV-UHFFFAOYSA-N 406.437 1.368 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC(=O)N2C)cc1 538256824 CGNXOGVERJFALH-DNVCBOLYSA-N 410.478 1.483 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)CC2(C#N)CCCC2)c1 544721117 DACXQKOBRWTZCM-UHFFFAOYSA-N 420.495 1.525 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc(F)c2C#N)CC3)CC1 550091909 IAFOLZDZDRSATB-OAHLLOKOSA-N 424.480 1.274 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)ccc1F 553202787 KGGGUTSWILPYQC-UHFFFAOYSA-N 413.434 1.720 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 565687634 LWFZQXHCNMWWMF-UHFFFAOYSA-N 404.452 1.333 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 568013278 JQNJQHCYYUGLNX-CABCVRRESA-N 401.515 1.619 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 583462313 DJORLDHHYKROQC-SJORKVTESA-N 411.483 1.950 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccco2)C1 585824406 QOUZXDMZGBONBI-LXFDGVPGSA-N 407.426 1.395 30 10 HDEE CCOC(=O)N1CCC(NC(=S)NCCNC(=O)c2cccc(C#N)c2)CC1 586408237 LHYSUQLLRQQVFR-UHFFFAOYSA-N 403.508 1.373 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 590913945 DFKOUDDPDCPYAY-QGZVFWFLSA-N 411.527 1.427 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1 605001946 PPDQIUGJVNXGCB-UHFFFAOYSA-N 404.492 1.259 30 10 HDEE N#Cc1cnc2c(F)ccc(F)c2c1N1CCN(CC(=O)N2CCOCC2)CC1 610245534 NUQBCRYOQGCHMH-UHFFFAOYSA-N 401.417 1.365 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccc(C#N)cc3F)cn2)C[C@@H](C)O1 610478774 JBJWXBXNCNLTNP-ZIAGYGMSSA-N 414.441 1.851 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 610807660 JRTXWGFHMANPAS-AWEZNQCLSA-N 415.471 1.969 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)n1 611599770 PUFQVYFGTJBKQI-MRXNPFEDSA-N 412.425 1.784 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCn3cc(C)nc3C2)c(C#N)cn1CCOC 614217086 UJBGKILWTAWMOQ-UHFFFAOYSA-N 400.439 1.736 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730140411 GEUDOCSOBSQUNB-MRXNPFEDSA-N 419.551 1.049 30 10 HDEE Cc1c(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(=O)n(-c2ccccc2)n1C 732412959 FNESWDPOZZHDMT-ISLYRVAYSA-N 410.434 1.132 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CCN1C1CC1 732706894 RINGXWBAGGTVQR-LJQANCHMSA-N 405.458 1.034 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)c1 741113954 AJIIIUWLXKSSJK-UHFFFAOYSA-N 412.876 1.875 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C 741453435 UOBJAIBIZSFGBB-INIZCTEOSA-N 419.551 1.131 30 10 HDEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 742214470 YRKPONXZBRUXEC-MRXNPFEDSA-N 417.535 1.503 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1cccc(F)c1 746230238 YZYWEVXFTJHGJS-ORIGZDJFSA-N 403.410 1.190 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 757846165 JJVGEXXFTKDWFH-GOSISDBHSA-N 410.540 1.954 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(C(=O)NCC)C3)ccc2c1=O 760927289 WRXCHULVPDOXSY-CYBMUJFWSA-N 401.492 1.405 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(N2CCOCC2)c1)c1cc[nH]n1 772150212 ROXNAQUFVPGQRH-UHFFFAOYSA-N 401.423 1.169 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1)c1cc[nH]n1 772380299 IBDQFHVBQACYPG-ZDUSSCGKSA-N 411.422 1.152 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 774922815 NPEGLULRPSNUOJ-LBPRGKRZSA-N 414.443 1.021 30 10 HDEE CC1(C)CCC[C@@](O)(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 783769311 MUMMCKFQDIXJSN-FQEVSTJZSA-N 407.536 1.953 30 10 HDEE C#CCOCCNC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788829174 XGLZPKVOHFNHIP-ROUUACIJSA-N 415.490 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C=NNC(=S)NCCN1CCOCC1 792891905 XVYTYPKHGFEBAG-CYBMUJFWSA-N 421.514 1.413 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 794839276 UGGCVUCNBJKQJO-QGZVFWFLSA-N 400.456 1.414 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CCOC)CC1 802470423 JLRKTVHJHJZQPG-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)CCc2c(C)nn(CCC#N)c2C)nn1 811087137 GABQDCDMPQERSV-QZTJIDSGSA-N 402.455 1.267 30 10 HDEE Cc1nsc(N2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)c1C#N 811855568 YHVBUJNVYFTYPJ-UHFFFAOYSA-N 400.420 1.889 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)ccc1F 819391227 IFJNXKNEMLOIHI-JFIYKMOQSA-N 422.482 1.635 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 914678793 RYNQZEAWMVNPGS-YXJHDRRASA-N 401.463 1.617 30 10 HDEE C=C1C(=O)[C@@]23C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](C=O)C(C)(C)CC[C@H]1OC(C)=O 1078018453 ORDKVFHKMGUXSQ-ZYKAUFGLSA-N 404.459 1.609 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(COC2CCOCC2)c1 1116129477 YEYVTFKLUCZUEC-DQRAZIAOSA-N 413.474 1.915 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1Br 1131242927 NVCLKXLNVYYBBG-GFCCVEGCSA-N 412.251 1.767 30 10 HDEE Cc1cccc(CS(=O)(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 1135889515 LUJJZNFGIJSBMU-UHFFFAOYSA-N 412.515 1.915 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2cc(C=O)c(-c3ccccc3)n2)CC1 1135889634 QYRUCRGYCQZGDS-UHFFFAOYSA-N 400.442 1.978 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 1142905252 YYACRAYBOXWRKP-DXRVJIQQSA-N 400.475 1.994 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C(=O)OC)CCC3)c1 1149138897 URFREWKHFPFIDX-UHFFFAOYSA-N 404.448 1.333 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)cc1 1156458527 NWFQTSFADUEHFZ-QRQLOZEOSA-N 424.519 1.186 30 10 HDEE Cn1ncc(I)c1CN(CCC#N)CCN1CCOCC1 1167558203 IXBRQUSVFHGORG-UHFFFAOYSA-N 403.268 1.073 30 10 HDEE Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1168653597 PUOSUHYOHWMHDN-QGZVFWFLSA-N 401.492 1.754 30 10 HDEE COC(=O)Cc1csc(NC(=O)CN(C)CCOCc2ccc(C#N)cc2)n1 1170768731 DQTSXABXHZGHSP-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@@]3(O)CCOC3)c(C#N)c2N)cc1 1252653602 LEKOAKVLCVRFFL-OAQYLSRUSA-N 412.494 1.408 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@H](O)C1 1259108173 MBTHFLDXQHQCLQ-CYBMUJFWSA-N 415.899 1.814 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286383608 YFZGZNWGVSJFHC-ZOBUZTSGSA-N 421.567 1.479 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1 1286408207 ACNUQBOWZYBJST-GOSISDBHSA-N 412.515 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC 1286415669 IYBOMONOERHYHU-PZJWPPBQSA-N 419.485 1.853 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286497107 MXKWBJSLBFIJEH-HNAYVOBHSA-N 407.540 1.227 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286700301 LLZAHKATZGGWJB-ZNMIVQPWSA-N 409.512 1.081 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1286716969 PCBRUWLZFYHUOI-SIKLNZKXSA-N 420.602 1.967 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CCC[C@H]21 1286814287 OYTJIRRSOQFENE-JKSUJKDBSA-N 407.540 1.494 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1287420065 PNYIPTULNXHJOX-KRWDZBQOSA-N 402.451 1.422 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CC)[C@@H]2c2cccc(C)c2)CC1 1292889742 LUOMXAFZOWHTQG-NFBKMPQASA-N 424.545 1.188 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 1297288613 ZXGFANMMVCXCRL-ZDUSSCGKSA-N 424.951 1.067 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCSC2(CC(C(=O)NCCn3cnc(C#N)n3)C2)C1 1297560901 DESGVPPRSBOYKC-BIWSTMPVSA-N 420.539 1.835 30 10 HDEE CO[C@@H]1COCC[C@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1298391083 HUBOWGKVTQPICJ-SQDOKRSFSA-N 407.511 1.941 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@](C)(O)c2ccccc2)cn1 1298818026 CNPAHSCOVSTQAP-RXVVDRJESA-N 407.478 1.705 30 10 HDEE Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1299293748 WGTGIJUSSUYPOI-CGTJXYLNSA-N 403.504 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCSCC1 1300548543 KDALTQJCYGXWNJ-UHFFFAOYSA-N 420.542 1.850 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC[S@@](=O)C(C)(C)C)n1 1300676335 MPCJRNUEEYVAJI-MUUNZHRXSA-N 406.556 1.616 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOC)CC1 1300727345 XQUXPMMTPWQGFW-UHFFFAOYSA-N 417.460 1.759 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)COc2ccccc2O1 1301396459 ZSPNPTMMVOHALJ-VLIAUNLRSA-N 415.471 1.571 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccoc1C 1301497076 NMOHWLPLZUYFGP-UHFFFAOYSA-N 412.450 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301584457 ANAYMRCLGCPILU-IRXDYDNUSA-N 410.540 1.531 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1301818074 JDTLRRWSZDNSPS-LJQANCHMSA-N 412.494 1.321 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(OC)cc3)C2)c1 1301821034 ZUTHJBDPSWVIST-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1301822996 RCFBOMHGZZVEBO-GJZGRUSLSA-N 414.911 1.565 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1302989096 HVCWDMIULVUKFI-RTBURBONSA-N 408.462 1.741 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1303642857 ZMTIDFQLHVMVPX-SJORKVTESA-N 424.571 1.031 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1305115332 KYEFGPCFLOKDNM-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE CC[C@@]1(C)CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1305882359 MXVNKPYYEKSDQC-IETCZJMGSA-N 402.499 1.933 30 10 HDEE C#CC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCCC1 1309797959 SSSQNPDATZFDNS-UHFFFAOYSA-N 410.439 1.752 30 10 HDEE CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCN(CCC#N)CC2)c1 1310191735 FEWRTCJUKQXLEW-UHFFFAOYSA-N 407.540 1.968 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCO1 1312418120 DMQUWSCTYDBERK-IBGZPJMESA-N 424.498 1.693 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1313347136 KHAJSONWYRIDOM-UHFFFAOYSA-N 409.516 1.415 30 10 HDEE CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC(C#N)CC1 1315072496 GHHBBADDJBTPAD-UHFFFAOYSA-N 418.523 1.455 30 10 HDEE O=C(NCc1c(F)cc(F)c(F)c1F)C(=O)NC[C@@H]1CCN(CC(F)(F)F)C1 1321733473 LXQWOYUPRWYQMY-QMMMGPOBSA-N 415.309 1.860 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 1335339276 HTHDQGWEKCGGKQ-CQSZACIVSA-N 407.492 1.053 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1358890661 SSIANESGYSLNSJ-KSZLIROESA-N 407.584 1.759 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358975691 AQXNWVSGEQAWQB-LJQANCHMSA-N 407.522 1.289 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCSC1 1359019961 NENNTISHCORNNI-LJQANCHMSA-N 417.491 1.807 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](Cc2ccccc2)OC)CC1 1359028619 YDCXIQHBKYKTNP-HXUWFJFHSA-N 424.549 1.429 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCCCO)CC1 1359044515 IFCSTRWCDHXYPY-SFHVURJKSA-N 403.527 1.301 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359059122 BFFHQROISPAPRY-MSOLQXFVSA-N 410.547 1.593 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1359207381 JAABJTUDMFAITQ-ULQDDVLXSA-N 404.515 1.572 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 1359308548 QYTUNDDQINHBBY-SFHVURJKSA-N 424.505 1.926 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)C2CC2)C1 1359311870 KAALQZKQHASSQT-GOSISDBHSA-N 402.543 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 1359333805 KLFRMDRMAYNHIA-FQEVSTJZSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1359336222 INAAOOWTJXQDTO-QGZVFWFLSA-N 422.555 1.717 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1436544189 WRBNLZURQVBSBG-UXLLHSPISA-N 402.451 1.615 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1449117968 JULCJHLFDBVHAM-UHFFFAOYSA-N 402.476 1.263 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1452986439 CRKHPBVWEZGHTR-HOCLYGCPSA-N 418.968 1.889 30 10 HDEE Cn1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 1457177309 IDDCJFMTSCCNED-UHFFFAOYSA-N 413.503 1.820 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)cc(OC)c1OC 1458618945 VUDSCBYIAAXZII-OAHLLOKOSA-N 402.451 1.782 30 10 HDEE Cc1cc(C)cc(OCCN(C)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1460883301 QLCJOGJUJXNCLK-FXAWDEMLSA-N 405.520 1.011 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)nn1 1461058889 OKFKPNXHYBRUDG-JOCHJYFZSA-N 418.457 1.701 30 10 HDEE N#C[C@@]12CN(C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1462991012 UTMNYSBEDZRMCB-WYESBNJKSA-N 421.563 1.638 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2 1463682660 CPSKYUVNCQZZHC-UHFFFAOYSA-N 411.501 1.967 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CC(=O)NC2=O)c1 1464290964 RHNLQVCINCFMSZ-ACIHENLCSA-N 420.491 1.271 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1468558749 WYTUVMMUIXGREO-ZBFHGGJFSA-N 416.337 1.543 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1468876031 SPDRKEFKKGGORU-ZDUSSCGKSA-N 400.884 1.712 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)ccc1F 1469545373 LSVWPHDGDGIJAG-KRWDZBQOSA-N 416.478 1.956 30 10 HDEE N#Cc1cccc(ONC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1471086021 QLPAOKZOGWFCTB-UHFFFAOYSA-N 401.444 1.427 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(c4cccc(F)c4C#N)CC3)CCCO2)cn1 1471523594 YVLQGIHRNWSSCR-NRFANRHFSA-N 412.469 1.968 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 1471622603 KIQQSWXATZHECV-UHFFFAOYSA-N 410.478 1.429 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)ccn1 1475477541 BRDGFOWWYGCYBR-SFHVURJKSA-N 414.487 1.686 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(F)c(Br)cc2OC)CC1 1475698713 YNTNVEQZMMOLSJ-UHFFFAOYSA-N 405.289 1.973 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478404524 SHHOMFXXMGYHJN-STQMWFEESA-N 423.543 1.748 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507563837 JHPNMEMZVWDGQS-KURKYZTESA-N 422.551 1.368 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507672710 DWZATTRSLPABBP-GCJKJVERSA-N 411.506 1.202 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCOC(C)(C)C1 1507710375 FWAFFPRRUDSPLM-GOSISDBHSA-N 405.543 1.369 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@H](O)C1 1507711077 ZWBSGBWFYSWUDZ-CVEARBPZSA-N 415.494 1.643 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCC(C)(C)C1 1507712634 KRPREMGFLKGQHQ-QGZVFWFLSA-N 402.543 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCC[C@@H]2C)CC1 1507736339 IUSIITDROHKNHI-SFHVURJKSA-N 421.549 1.790 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1507751390 NLTVURPYBZPOIL-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507968157 PNFOOKURKOBPTI-RLFYNMQTSA-N 413.544 1.239 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C)C1CC1 1507992721 IAGMOIAZDBWIMV-MRXNPFEDSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cscn2)CC1 1508081807 PKYOUEQJPIVZGG-UHFFFAOYSA-N 424.534 1.421 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1508092605 ROVLIJKGIGULPF-IXDOHACOSA-N 403.527 1.868 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1508118798 SJYBSIGGUOVESF-INIZCTEOSA-N 420.539 1.285 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N(C)C)C1 1508127491 LLFSHKOSZBJDHZ-KRWDZBQOSA-N 403.458 1.866 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1508393585 UTIDWRQIWKHOTD-HXUWFJFHSA-N 424.440 1.562 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCn2ccnn2)CCOC1 1508410641 FRRZRVLDGGNNOW-VQIMIIECSA-N 402.503 1.596 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)C1CCC1 1509623828 YPJQPFMIEMMBIP-UHFFFAOYSA-N 401.515 1.463 30 10 HDEE C[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1510342209 FRGKULSETURXOG-MOPGFXCFSA-N 415.429 1.173 30 10 HDEE Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511838508 XENAKXDHDNPFAJ-SISFKGJESA-N 400.483 1.508 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1516969226 CVICMXIXAGOELL-IBGZPJMESA-N 423.521 1.206 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(COC)c1 1519332262 XTGBYOJKYOMXND-APWZRJJASA-N 415.494 1.926 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2COCCO2)cc1 1521101655 GHUNSCBTFLPYAU-LJQANCHMSA-N 408.462 1.884 30 10 HDEE CC(=O)N1CC[C@H](CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1535463743 CATGKJJUGROIRN-ZBFHGGJFSA-N 402.882 1.891 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2ncccc2S(C)(=O)=O)cc(OC)c1OC 1536336705 UARFKGFSKCYPJE-GFCCVEGCSA-N 405.432 1.506 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3COC3CCOCC3)C[C@H]1CS(=O)(=O)C2 1538540502 XXIJXUKKWQJRTN-JXFKEZNVSA-N 404.488 1.393 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539015745 RELJQGLBWSLOLK-OLZOCXBDSA-N 409.537 1.289 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CCOc1ccccc1Cl)c1cc[nH]n1 1539143246 WQHURTLLPRNFFX-UHFFFAOYSA-N 408.842 1.884 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC1CC1 1539156076 ZQJLTNHAVHKXBS-UHFFFAOYSA-N 405.300 1.642 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1539174556 HISDKHAFUHVMSH-UHFFFAOYSA-N 414.429 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](CO)O1 1539304901 JENJFBWQRDEKKM-RBUKOAKNSA-N 409.446 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1539421634 UPFRQWUMRSQFFN-UHFFFAOYSA-N 420.514 1.011 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCc2nnc3n2CCCCC3)CC1 1539431716 VEQOMJDTHDPIGL-UHFFFAOYSA-N 410.570 1.891 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCCCC2)CC1 1539459729 NICJNWGROCZBBI-UHFFFAOYSA-N 413.570 1.032 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1539517862 SWHUFIDOJBQILH-KBPBESRZSA-N 400.595 1.488 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N(C)C)CC1 1539640778 JNJWOSLYEIZCML-XLIONFOSSA-N 420.558 1.006 30 10 HDEE CC[C@H]1CN(CC)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540123738 DZGJHROMNBZBEH-IBGZPJMESA-N 418.563 1.902 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)C)C1 1540198638 OGVDARCZKVBEAI-ZWKOTPCHSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540868757 QHCPFPKONOXUAU-BEFAXECRSA-N 408.506 1.946 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1542483764 ZDCKBSZXUPNFMW-GHTZIAJQSA-N 413.478 1.700 30 10 HDEE C#CCCN1CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1542570972 ZYXMRYUGWHTQKL-IBGZPJMESA-N 415.490 1.402 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCCO1 1544722203 FDIYCETZNLLUTD-PBHICJAKSA-N 423.477 1.420 30 10 HDEE COc1ccc(CCc2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1554897279 KYGPSFHWFNDLCC-UHFFFAOYSA-N 420.473 1.911 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)c1nccs1 1555752549 AZLQMEYXTQWCKQ-JONQDZQNSA-N 418.523 1.991 30 10 HDEE C#CCN(C)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1556177877 XKYMZJSBTSWWPR-UHFFFAOYSA-N 412.284 1.841 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1 1558073521 VAFMZTCGZFCSCR-UHFFFAOYSA-N 417.462 1.843 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)c(O)nc1=O 1560056439 ITEJBCJCXBPTCJ-NRFANRHFSA-N 410.478 1.322 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 1563113734 RKCZRJMAYUCVND-SANMLTNESA-N 416.525 1.124 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)NCC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1564278174 MPSUYKLTNFWVFJ-INIZCTEOSA-N 421.542 1.835 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1565173607 QFKARSJVVARNLW-RDJZCZTQSA-N 406.527 1.945 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccccc1SCC(=O)N1CCCC1)C(=O)OC 1568154842 UBMOBDSGFPTEAF-INIZCTEOSA-N 406.504 1.875 30 10 HDEE Cc1cc(C(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)ccc1[N+](=O)[O-] 1584482713 PLINQZQDTUYTQG-UHFFFAOYSA-N 413.459 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1587317499 NWIAZMXTFIINRO-DLBZAZTESA-N 404.511 1.601 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1587568682 RNWFLWAZCWZTRF-DYESRHJHSA-N 419.526 1.026 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN1CCc2ccccc2C1 1588073897 FTUBCGYBDKZBDX-UHFFFAOYSA-N 416.529 1.645 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588434332 XVMNANDFXQMCMV-UTKZUKDTSA-N 401.511 1.588 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn2ccc(C)cc2n1 1588639037 YOKAZVROKFXKHP-QGZVFWFLSA-N 407.478 1.320 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN(C)C 1589150433 FZXZZEVHGOHJPH-DNVCBOLYSA-N 410.588 1.468 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1593690765 ORPANRDWQGULGB-OAHLLOKOSA-N 403.487 1.557 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC 1595134364 YYDVHMDAASOKCA-INIZCTEOSA-N 400.458 1.697 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(C)C 1595496668 CUZNADXIHWWSDD-UHFFFAOYSA-N 405.524 1.743 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)C1 1595664628 IATDGHDIDANJGU-HUUCEWRRSA-N 404.515 1.112 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1596610835 YDMLUWGJDSGEKW-UHFFFAOYSA-N 403.548 1.997 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1596851019 RWAFIBQXKSSXLO-DOTOQJQBSA-N 418.523 1.704 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1611315631 ZEHLLMCNCNIHRD-BTYIYWSLSA-N 406.494 1.733 30 10 HDEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n[nH]1 1612422870 WMEJRCDWLXTBOS-UHFFFAOYSA-N 420.525 1.739 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cc(F)ccc3Br)C[C@H]1CS(=O)(=O)C2 1617487674 QGBBZGRZUVJDHZ-NHYWBVRUSA-N 401.257 1.527 30 10 HDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1619839704 FNUSBNCLJAZQKC-UHFFFAOYSA-N 412.498 1.046 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1=O 1622074576 LEHDDKNZRAMOJA-CYBMUJFWSA-N 406.913 1.151 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1623690546 KORSKRRPUODFQR-UHFFFAOYSA-N 403.907 1.820 30 10 HDEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N(CCC#N)CCN1CCOCC1 1625977112 OUTZKTXYOQOYAW-UHFFFAOYSA-N 406.487 1.455 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1626656233 VMSXNCMMUCFWEA-YSSFQJQWSA-N 421.519 1.176 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CC(=O)N(CCC)C2)n1 1627670614 WSPSRZMRVJUYGP-NSHDSACASA-N 406.537 1.997 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(c3nc(-c4ccccc4)no3)CC2)c(=O)nc1O 1628480005 GDNFKYTWEMGJSN-UHFFFAOYSA-N 420.429 1.667 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCSCC2)C1 1628758369 ODOBHMJXLJVXGI-UHFFFAOYSA-N 409.353 1.922 30 10 HDEE N#CCC(=O)N1CCN(C(=O)/C(=C/c2cccnc2)NC(=O)c2ccccc2)CC1 1631231832 TWCYZUMDUKUUAQ-CYVLTUHYSA-N 403.442 1.437 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CCSCC1 1632204822 OZFOUMLUUBGYND-UHFFFAOYSA-N 408.549 1.202 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H](OC(C)(C)C)C12CCC2)c1cc[nH]n1 1632933182 PSIQXNHSGPLBAO-LSDHHAIUSA-N 406.483 1.936 30 10 HDEE C#CCC1(O)CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 1633140579 FJKFXMSIKAJEMZ-UHFFFAOYSA-N 414.321 1.741 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918583 JXVSTBJPKFXFGV-HKUYNNGSSA-N 408.462 1.176 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1 1636316364 FTMWGSPMWAFBEJ-QGZVFWFLSA-N 409.442 1.833 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)CC(C)(C)O)c1cc[nH]n1 1637234642 ZRFAUYABEPNOKL-UHFFFAOYSA-N 402.451 1.493 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCCN(CCCO)C2)cc1B1OC(C)(C)C(C)(C)O1 1640965449 MLEJSOSDIWTUEN-SFHVURJKSA-N 402.344 1.871 30 10 HDEE N#Cc1cccc(ONC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1642625231 KMRLNSPNZLZHKI-UHFFFAOYSA-N 421.862 1.956 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)cc1 1644034343 SRXZDNIAONDERW-MRXNPFEDSA-N 419.425 1.434 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1649670837 IPWMBMVIDOFVNC-LJQANCHMSA-N 422.493 1.606 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1651801642 DBMOSJAEMCFSEN-IBGZPJMESA-N 403.548 1.448 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1652331817 INUIKLPPFLCLFO-CVEARBPZSA-N 403.483 1.632 30 10 HDEE COC1(c2nccn2C)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1655491378 DPAAZUQOHDMRMA-GOSISDBHSA-N 402.543 1.050 30 10 HDEE C#C[C@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(Br)cc1 1669191779 MPIOZMCYSCFXSA-AWEZNQCLSA-N 403.298 1.484 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1 1671947957 IVPZKQDQVJMQFH-AWEZNQCLSA-N 411.480 1.432 30 10 HDEE C#CCSCCNC(=O)N[C@@H](CO)c1ccccc1I 1679159759 TZSFGLQRAWWZGC-ZDUSSCGKSA-N 404.273 1.990 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 1681913700 FHPQFZXEANMFGI-FUHWJXTLSA-N 424.954 1.771 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC(=O)c4ccccc4O3)CC2)c1C#N 1684624800 WQNNDGCDRDAEBZ-HNNXBMFYSA-N 408.462 1.466 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)C1 1687593196 LFFVDBRUUGXQHE-MOPGFXCFSA-N 404.536 1.700 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(O)CCOC2)c1 1689873364 FZJDMXGWCRQJSK-OAQYLSRUSA-N 413.478 1.022 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC(C)CC1 1689953999 IABSBXFJAQQQFB-UHFFFAOYSA-N 405.510 1.722 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Cl)cn1 1690066240 CWGLYYOGKYWMER-UHFFFAOYSA-N 422.884 1.930 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)C(C)(C)C)CC1 1690137332 VIMUQYZTEJRELW-UHFFFAOYSA-N 423.583 1.581 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H](C)CN1CCOCC1 1690192529 BCUUJIGDRUAVOA-NNMXDRDESA-N 419.570 1.963 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cnccn1 1690245254 GFGBVKXRIKVERJ-AYBZRNKSSA-N 411.510 1.679 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690663592 BBFQQTLWODDNFU-QFIPXVFZSA-N 408.506 1.526 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690998991 ABDDMCZFXQEOHO-GOEBONIOSA-N 424.484 1.758 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C[C@@H]1F 1698449487 HMLIIUNLXWBWLU-CFLQYTFWSA-N 401.442 1.674 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705478427 BDOBWXFUPCSWPS-OXQOHEQNSA-N 424.567 1.746 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1705745119 AMABEVDYOOOIMJ-HNNXBMFYSA-N 407.906 1.871 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1705899388 QPICCKIZINEPBA-FQEVSTJZSA-N 401.442 1.382 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](OC)C1 1705932703 ISPNYHXWNLELLO-KRWDZBQOSA-N 406.508 1.780 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705942715 BFCSKDZUXGNYIR-SJLPKXTDSA-N 415.567 1.811 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1706743276 HBVQDUDZYOKZNW-ZDUSSCGKSA-N 422.449 1.565 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC(=O)NCCc1ccccc1 1722399359 BPMGUDOCGZSJSN-NRFANRHFSA-N 419.529 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C)COC1 1722447422 MWEXDIRMXVICEI-UHFFFAOYSA-N 408.462 1.716 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722699330 UJMSIOFKBNRRSR-MRUHUIDDSA-N 405.543 1.942 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1728186390 NCKLYTYGFVJBSC-SJORKVTESA-N 424.461 1.847 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1730459433 KFHGQDHXLQTWBB-MRXNPFEDSA-N 424.505 1.822 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1740608911 JNGHFIMXOGJHDI-FQEVSTJZSA-N 422.533 1.304 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1740638991 OXJFSAQRHVMKNY-GHTZIAJQSA-N 416.529 1.749 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1CC 1740677399 VEDDJDOLEGRFAL-KRWDZBQOSA-N 422.468 1.668 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2nc(C)cc2C)CC1 1740689258 SWPJCVCJDSMPIP-UHFFFAOYSA-N 412.542 1.075 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740718068 HFTNHBMYYPHZKO-ZWKOTPCHSA-N 416.551 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1740731620 YHLAJWLGYQRBJA-AUUYWEPGSA-N 418.523 1.360 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCS(=O)(=O)C1 1740939882 LDBHVUXRVHUUFK-MRXNPFEDSA-N 407.540 1.747 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCOC[C@@H]1C 1740988099 SRFNYIKRLHPKJD-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1740995251 FXDKQEYWJQSJPD-HNNXBMFYSA-N 406.556 1.396 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1741001308 QWLNOOUGMJTHDF-CVEARBPZSA-N 406.556 1.453 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1748650843 GABFPOKLJGXJMS-UKRRQHHQSA-N 401.492 1.085 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805013 MWHBVOCLZIWJLD-XLIONFOSSA-N 415.563 1.734 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1748805128 ORQPCLSALLFRTJ-LJQANCHMSA-N 400.504 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1748892724 WBNIKKWQNWZFFI-IBGZPJMESA-N 420.517 1.525 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749072274 KLHLCBUHKWVWIG-UXHICEINSA-N 406.552 1.553 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1749923001 DRIYLHCSMLPSKB-OAHLLOKOSA-N 411.466 1.132 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750103910 BUJKJFWGFKRTOV-DLBZAZTESA-N 413.434 1.594 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCO2)nnc1N1CCSCC1 1750419983 RSKIZIFKPMFNAA-DHSYKJLNSA-N 404.496 1.209 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1751295986 LWPDDPNTPGZHJY-FUHWJXTLSA-N 424.505 1.855 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cs1 1751777003 IVLMKSOAXVZKLE-MSOLQXFVSA-N 406.487 1.881 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752673894 RWCUSYHZQCNNDH-GGNAOWBESA-N 416.482 1.317 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(OCCOC)CCOCC1 1760095219 JEPWJCUBHIGTAB-INIZCTEOSA-N 407.515 1.086 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1760097445 FDWWHGLRJNSXSR-QZWWFDLISA-N 410.588 1.467 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCc2ccccc21 1760217399 ABQLWBYGQSGWDJ-WMZHIEFXSA-N 403.486 1.526 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2=CCCOC2)CC1 1760271562 CCCIUKNSOJHRTR-UHFFFAOYSA-N 420.517 1.576 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1760292984 MBRPVJSXUCAWHP-NHCUHLMSSA-N 414.531 1.795 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCCO1 1761235681 HPVHTTNDYNUSJP-DLBZAZTESA-N 401.515 1.162 30 10 HDEE CCc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764845035 ZKRJFNGYSUNRMR-ZGAGMJPPSA-N 400.483 1.374 30 10 HDEE CC/C=C/Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1765339822 CCHRSXBIQIHTKI-NHZBNJEXSA-N 415.523 1.933 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1766157551 FHTCLRATEOXNRZ-ROUUACIJSA-N 420.583 1.795 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1766371669 GREQHJHMYCKAMS-OAHLLOKOSA-N 414.466 1.169 30 10 HDEE CCOCc1nnc(N2CCC[C@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767885150 LQJROINVWJPAFX-IJYGLTAASA-N 402.499 1.967 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1769686938 PUDVCAZPJQKHMJ-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCSC1 1769847147 SXKMZADPMUWUBG-GOSISDBHSA-N 422.580 1.868 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)(F)F 1771305306 ZAMANLWOTAJJNK-IHRRRGAJSA-N 419.404 1.657 30 10 HDEE CCOc1ccc(CN2C[C@@H](C(=O)NCC#CCN(C)C)CC2=O)cc1OCC 1850612225 LJALNTINGZZEGC-SFHVURJKSA-N 401.507 1.514 30 10 HDEE CN(C(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CCS(=O)(=O)C1 1850852301 XLYQBXSAOHLCGO-QGZVFWFLSA-N 412.515 1.968 30 10 HDEE Cc1nccn1-c1cc(N2CCN(C(=O)c3ccccc3OCC#N)CC2)ncn1 1850982544 KAPKRIRQRFAHFT-UHFFFAOYSA-N 403.446 1.836 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)nc1 1851909368 HAIMVRFPUPGRIW-UHFFFAOYSA-N 400.236 1.709 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2=O)ccn1 1853919094 JXAXDOZWLZTZCH-UHFFFAOYSA-N 420.397 1.046 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCCC(=O)c2ccccc2)C1=O 1854226906 RZNVGJRFPDBAKI-OALUTQOASA-N 411.502 1.886 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ncc(Cl)cn2)C1=O)[C@@H]1CCN(C)C1=O 1854248089 AAJPHZJOQQZPEM-LSDHHAIUSA-N 405.886 1.370 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)C2CCCCC2)C1=O 1854881011 NIKQJYIVXCNZAB-LJQANCHMSA-N 410.522 1.957 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CC(Cn4cc(C)cn4)C3)C2=O)CC1=O 1854882009 YIWBQEMNVZMRMW-MOPGFXCFSA-N 413.522 1.066 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)O[C@@H]2CON(S(=O)(=O)c3cccnc3)C2)c1 1854944483 FFSGJPQHZDSIHO-ZDUSSCGKSA-N 407.835 1.963 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCCC#N)CC2=O)c1 1855562455 APXCQRIPGBPLEN-GOSISDBHSA-N 418.519 1.123 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3ccsc3)C2)CC1 1855872182 BQAVPHWPJHCBCF-KRWDZBQOSA-N 409.515 1.755 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(Cl)c3)C2)CC1 1857057067 SBXPRLJPQZFGPU-AWEZNQCLSA-N 410.883 1.289 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)C[C@@H]2CCCC2(C)C)C1=O 1857144240 PADKEYNUJBAEAF-YJBOKZPZSA-N 410.522 1.813 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2cccc(Cl)c2)C1=O 1857146762 RRUPBXJPXNCXPI-KRWDZBQOSA-N 410.865 1.563 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(OCC)cc2)C1)[C@@H]1CCN(C)C1=O 1857265308 UWVNTPHXLVETSC-AZUAARDMSA-N 413.518 1.722 30 10 HDEE C[C@@H]1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CCS1(=O)=O 1857340578 ZZYFCKLJZKAFCU-NVXWUHKLSA-N 403.504 1.446 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C2CCN(C)CC2)c2ccccc2N1S(=O)(=O)CC#N 1857468125 WXOIIQWFHXTOGR-AWEZNQCLSA-N 404.492 1.340 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1C#N 1867019573 LQDVCYYUYPRIDA-GOSISDBHSA-N 415.471 1.365 30 10 HDEE COc1cccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)no2)c1 1867146717 NAXFRFGHSQZBII-GOSISDBHSA-N 406.398 1.951 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN1CC(O)C1 1870425126 XPLCJHQNUOARRS-UHFFFAOYSA-N 413.474 1.545 30 10 HDEE C=CCn1cc(OCCOc2ccccc2)c(=O)cc1CN1CCN(CCO)CC1 1870599604 FUCBGQHLNUCLFL-UHFFFAOYSA-N 413.518 1.602 30 10 HDEE CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891394705 BYPJJQYEJAPLHY-FUHWJXTLSA-N 411.437 1.605 30 10 HDEE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 2042438749 NBOIQCGHZGTMFI-IBGZPJMESA-N 407.492 1.483 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)[C@@H](C#N)C1 2106308765 DBAJLXIUXJFPFA-NSHDSACASA-N 401.466 1.580 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202297964 BHNLHOMNAGAMRK-NSHDSACASA-N 403.331 1.337 30 10 HDEE Ic1cn(CCN=C2N[C@H](C[C@H]3CCOC3)CS2)cn1 2237131474 ZAZGQMBFSAOHNA-GHMZBOCLSA-N 406.293 1.975 30 10 HDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)nn1 2251304669 QFLYYORKVUVEKO-ATWMFIQVSA-N 421.307 1.685 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2255807624 XCIWLDNJYARPTM-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2258159598 FOPAHPNHSXYIKD-MRXNPFEDSA-N 403.416 1.680 30 10 HDEE N#CCc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270496952 UKFAVFFBZNYMRX-KRWDZBQOSA-N 417.443 1.874 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCCCS(C)(=O)=O)c(Cl)c2)OC1(C)C 2281995000 WTJNGVOTRFCACR-UHFFFAOYSA-N 402.709 1.199 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282175910 OOCREBOQTXULBI-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(N)=O)C(C)C 2282314691 DAUOEQYLWOJGLV-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](CO)C1 2282323852 HUXIFEFIUNCLFA-STQMWFEESA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@@H]3CCCCC34OCCO4)c2)OC1(C)C 2282348833 QAASICHIYNJYLK-MRXNPFEDSA-N 424.328 1.345 30 10 HDEE C[C@@H](CCN(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499686 RLFBUJAWMRBAKA-ZDUSSCGKSA-N 402.391 1.807 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2282524025 GRDPYLQHWBCNKT-UHFFFAOYSA-N 414.236 1.107 30 10 HDEE C[C@@H]1CC[C@H](O)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836369 IXBNAQCXLGLFOL-NEPJUHHUSA-N 402.347 1.117 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CC([C@@H](F)CO)C2)OC1(C)C 2282852256 MYBCDTSDSFMSDG-XIVSLSHWSA-N 405.322 1.435 30 10 HDEE CN(C[C@H]1COCCO1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854596 UDJFPGDOURLKLO-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(C(=O)O)C3)s2)OC1(C)C 2284407244 JHEADTUABSZBOY-INIZCTEOSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC=CC(=O)O)c(Cl)c2)OC1(C)C 2284409390 ISTRSFPZGZHLMM-UHFFFAOYSA-N 401.677 1.558 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@]3(C(=O)O)CCOC3)sc2Cl)OC1(C)C 2284432371 YLTABTBBJAEFMD-INIZCTEOSA-N 401.677 1.674 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1nc(Br)nn1CCOC 2328462549 QZLSTWLKQHEFLM-VXGBXAGGSA-N 416.320 1.994 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@H](O)C#CC(C)(C)S(C)(=O)=O)CCOCC1 2365188431 LALLEMOCRTZYGL-OAHLLOKOSA-N 403.541 1.886 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](CC)(COC)NC(=O)OC(C)(C)C 2367792482 OZEMPHCTTMWIGI-DNVCBOLYSA-N 402.557 1.865 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(NC(=O)OC(C)(C)C)COC1 2367798328 ZGTVNGDMGOUERB-OAHLLOKOSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367799819 DOPWESMDKFISTD-OAGGEKHMSA-N 401.525 1.638 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccc(Br)c(O)c1 2370334731 HBQPEIGUAPCVFL-UHFFFAOYSA-N 423.076 1.835 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2375784411 JODLCFWGJUDFJG-PMUMKWKESA-N 402.513 1.372 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 42953719 AHKZMDLHGPPIQO-UHFFFAOYSA-N 413.503 1.628 30 10 HDEE N/C(CCNC(=O)c1cc(I)ccc1Br)=N/O 236325816 CFWYIRVRUQGTHD-UHFFFAOYSA-N 412.025 1.920 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](ON(CCC(N)=O)[C@H]2c2ccc(C#N)cc2)C1=O 251998636 LTIMDAPSSLFGPI-AKQDLLBKSA-N 418.453 1.837 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccn(-c2cccc(C#N)c2)n1 409854478 JXPBIXBEEPFOGZ-BRSBDYLESA-N 408.414 1.309 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CC2)c1C#N 436889957 BPJOHXYMHHNZKH-SFHVURJKSA-N 422.489 1.259 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446336683 KFESDIGUYRBVJX-TYIJSKFUSA-N 407.470 1.885 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(C4CC4)nc4c3c(O)nn4C)CC2)c1C#N 473003554 VOXAAIDJSCGTKG-UHFFFAOYSA-N 420.477 1.427 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 474150630 AMRMCMCXGAXVBH-PMACEKPBSA-N 414.550 2.000 30 10 HDEE Cc1ccc(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc1S(=O)(=O)NCC#N 478428209 NIKBQPORKPPEMF-LJQANCHMSA-N 407.492 1.207 30 10 HDEE CN(CCC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 500018827 MQRLWCQIJVWNQN-UHFFFAOYSA-N 402.270 1.174 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)nc1 501368103 BGACWANBXNUIAV-JTDSTZFVSA-N 414.535 1.328 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 502036262 MTLKNEQOOXKMCE-RBUKOAKNSA-N 410.499 1.435 30 10 HDEE CCn1c(CCC(=O)N[C@H](C#N)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 505913914 XQZQGVQTGLRCKF-MRXNPFEDSA-N 403.508 1.657 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 508883655 CBOOYBBHCRGWSO-MSOLQXFVSA-N 417.535 1.791 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 508947066 VVRHODOINCASBG-QGZVFWFLSA-N 401.467 1.724 30 10 HDEE CNS(=O)(=O)c1ccc([C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)cc1 553253406 KDRSHKWYLIKKKA-CQSZACIVSA-N 407.517 1.591 30 10 HDEE CC(C)CN(C(=O)CN1CCC(C#N)(c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C1 558627838 ACCVBHZUHIOPOD-SFHVURJKSA-N 418.563 1.610 30 10 HDEE CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1cccc(Br)c1C#N 561541995 BJGVRCOQLUDZJY-HZMBPMFUSA-N 405.314 1.757 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc1 564149243 WWKMPLRWIASDRP-UHFFFAOYSA-N 420.441 1.463 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC3CCN(C(=O)C(C)C)CC3)CC2)c1C#N 573378183 WWZNFDPJQZDJBP-UHFFFAOYSA-N 404.540 1.802 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)CC1 604175254 ZZTXMTWWWSQNNL-UHFFFAOYSA-N 416.526 1.346 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1C#N 604285380 XNTCENMSAFRODP-QGZVFWFLSA-N 416.507 1.225 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CNS(C)(=O)=O)cc3)cc2C1=O 605140671 FDLSJPJETSCQQD-UHFFFAOYSA-N 413.455 1.770 30 10 HDEE CCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)n1 609714369 ROFQWAVBBSSTOX-UHFFFAOYSA-N 402.480 1.393 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C#N)c1)CC2 610195111 SNRSUOBIINNABZ-UHFFFAOYSA-N 409.464 1.747 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3ccnc(C#N)c3)CC2)c1 610991479 NXYRZSXXRZXERP-UHFFFAOYSA-N 402.476 1.477 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC(F)(F)C[C@@H]2CO)CC1 614917031 NOPQMSKFZIMDAE-CYBMUJFWSA-N 421.404 1.157 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C)cc1 731728238 KETCFUDWILAMHP-OAHLLOKOSA-N 409.508 1.891 30 10 HDEE CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 735199152 KPPWNMQMSZVKOV-MUUNZHRXSA-N 400.460 1.877 30 10 HDEE Cn1cc(C(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(=O)n(C)c1=O 735209706 DXYWBQIUJADOEL-VIFPVBQESA-N 402.382 1.976 30 10 HDEE C[C@H](CC(=O)N1CCC(CN2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742669984 OZQNATHBEZBVPK-MRXNPFEDSA-N 418.563 1.838 30 10 HDEE CCc1cnc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 742802495 FYUSQYOPKPKWRN-UHFFFAOYSA-N 406.533 1.883 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCN1C1CC1 748982192 UHSDATJHOBXFPM-MRXNPFEDSA-N 413.869 1.117 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 754718025 GYXRAZDRRXSCBG-GOSISDBHSA-N 408.524 1.103 30 10 HDEE COC(=O)c1ccc(NN=Cc2c(OC)nc(N)nc2N2CCCC2)c(OC)c1 756897579 FAGBLGVYYNRPOR-UHFFFAOYSA-N 400.439 1.909 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CCN1CCOCC1 758567914 PNISOMKZQIHOEC-UHFFFAOYSA-N 422.535 1.483 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)o1 760573864 ZQGHXLPXZFTFCF-JTQLQIEISA-N 418.269 1.190 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ccn(C)n2)C1=O 765543273 JSLBQUBHWUZHLG-KRWDZBQOSA-N 414.535 1.620 30 10 HDEE C#CCN(C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 766481972 NEOSPDBKTVORHG-INIZCTEOSA-N 407.492 1.369 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1CCN1CCOCC1 767880383 NCCGQLZLXNRIOZ-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC23OCCO3)cc1 773826805 UTHZQZWCTFYJDV-WFOVFMPGSA-N 407.492 1.981 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774147770 FVTVBZYCFWJLKN-UYAOXDASSA-N 419.547 1.664 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 779683394 GCPIJOIGCBEEBD-BZUAXINKSA-N 413.540 1.606 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 780203250 BBPPSICQXSYHSB-KBXCAEBGSA-N 411.414 1.101 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cnc(N4CCOCC4)s3)cc2C1=O 785534825 RCGSDRLQOZDTGN-UHFFFAOYSA-N 412.471 1.692 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(C(=O)CN(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790286506 WXKCFHKNIRKKNR-OAQYLSRUSA-N 408.543 1.565 30 10 HDEE Cc1cccc(-c2noc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n2)c1 795328576 SNWZOPXRHNPMIL-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1 797695022 JGBZJLZFFOMHRL-TWOQFEAHSA-N 406.504 1.397 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 802568778 MCSQJYOYLPBCOM-INIZCTEOSA-N 409.556 1.958 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 802600829 UTADPIQSOUDZLM-CVEARBPZSA-N 423.514 1.672 30 10 HDEE Cc1cc(C#N)nc(N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)n1 804622979 KXQQYDVIJCJZRX-INIZCTEOSA-N 400.483 1.705 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCN1C1CC1 804997120 SVGZQVYOWPOMBB-LBPRGKRZSA-N 405.448 1.044 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)N2CC[C@](F)(C#N)C2)cc1 806745650 KBRXXCISJYFSGW-DJJJIMSYSA-N 406.414 1.464 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 811834979 PNJQICIQHDGCTK-UHFFFAOYSA-N 408.382 1.672 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)cc1 812935265 AREKGDKWMNUEFB-KRWDZBQOSA-N 419.482 1.258 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@@H]3c3ncon3)C2=O)cc1 1116108311 GBSLWHINCNYHAT-JKSUJKDBSA-N 408.418 1.900 30 10 HDEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)Cc1nnc2n1CCOC2 1117105014 HPVYATNIVLNFEH-UHFFFAOYSA-N 404.427 1.366 30 10 HDEE C#C[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C1CCOCC1 1131257612 RKWZYNQAVPYNJW-HXUWFJFHSA-N 418.559 1.915 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1 1132666647 OULIWQJLEUNKDZ-UHFFFAOYSA-N 407.492 1.319 30 10 HDEE CCOC(=O)[C@@](C)(O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1138071523 VJXBMPUUHBVVSP-JFTXUKFJSA-N 409.483 1.204 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C2=O)cc1 1139811909 YKVVLHZGXXSHAO-STQMWFEESA-N 404.681 1.897 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](CC(N)=O)C2)C1 1149160230 HUBSCDOIGOMKCC-GFCCVEGCSA-N 405.296 1.871 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3ccccc3n2Cc2ccncc2)CC1 1157009288 KGEBWODBYJPUKN-UHFFFAOYSA-N 415.497 1.592 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)N(C(=O)OCc2ccccc2)C1 1160873529 RADBYVMPPPKVPJ-VAMGGRTRSA-N 414.506 1.764 30 10 HDEE COC(=O)C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1166713015 WSZYKVUFLUBUNF-CQSZACIVSA-N 407.492 1.211 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OCC 1190403188 RBCJBGZYGHUHQH-CYBMUJFWSA-N 408.473 1.373 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)Cc1cc(C#N)cs1 1198195355 WBGVWFXYDXRSQK-GFCCVEGCSA-N 404.517 1.677 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 1215416359 CMJCKOIANXHAGQ-UHFFFAOYSA-N 414.915 1.741 30 10 HDEE C#Cc1cccc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c1 1230086666 PRXKXBJUGSRJQZ-QGZVFWFLSA-N 412.490 1.687 30 10 HDEE CC(C)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCC1(C#N)CCCC1 1230586485 ZLWRBJDIOWTRTN-SFHVURJKSA-N 416.522 1.958 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)c2cc(C#N)c(SC)nc2O)cn1 1255773702 WJZCVUCTLKPXEE-PWFNWSNSSA-N 405.505 1.543 30 10 HDEE Nc1cnnc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)c1Cl 1261127883 AHLJFEUXKRKILJ-UHFFFAOYSA-N 405.665 1.568 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1277406447 ONRXLRWTPBMRFZ-UMPJEAMMSA-N 411.462 1.229 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1286282220 MAEPSMSEHOPEKY-HNNXBMFYSA-N 413.478 1.279 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1286390362 AMLPXSWZSKQLTJ-QGZVFWFLSA-N 400.504 1.611 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1286416603 PZFCCNMRFUHOIP-JTSKRJEESA-N 405.458 1.341 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)NC)CC1 1286476667 CUKHEVPMPOIKEQ-UHFFFAOYSA-N 405.506 1.328 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286507894 GJCWQWOBPYXOTL-LJQANCHMSA-N 402.612 1.813 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1286714723 UUHWHIONDSZWNU-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1286759723 GBOWGWOZXAWICW-QGZVFWFLSA-N 404.540 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286810140 NVQPOWPAHMCBOB-BBWFWOEESA-N 403.527 1.868 30 10 HDEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC[C@@H]1c1ccccc1 1290369953 WLZHJFXGSNVASR-OGYNKXMDSA-N 422.525 1.951 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCCn1cc(CO)nn1 1300320197 GMRAXXPRGUOUMM-KRWDZBQOSA-N 409.494 1.798 30 10 HDEE C#CCCCn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300381525 SWKZARKONYXIHV-MRXNPFEDSA-N 420.539 1.845 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCc1ccco1 1300449511 SKSNRPGPHULDQT-UHFFFAOYSA-N 407.430 1.695 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300502033 POJLRTQZHFGFLJ-NSHGMRRFSA-N 420.579 1.918 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC=C 1300575103 RATUQJKZPYXTRZ-UHFFFAOYSA-N 413.485 1.896 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)O[C@H](C)C1 1300663920 JDUPIFNVSUVGOF-KDURUIRLSA-N 414.554 1.869 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1300763785 SHRJBKWOYWTUQE-ZIAGYGMSSA-N 400.595 1.488 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1301260007 RUNIKJAEUPUDNT-UHFFFAOYSA-N 411.514 1.437 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1301475525 VCJSOFGVQNYBAZ-UYAOXDASSA-N 413.522 1.878 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1C(C)(C)C 1301517758 BYFUXYHOCWDLFZ-UHFFFAOYSA-N 418.571 1.618 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)CC1 1303011249 FULRLAAFIXTLCP-MRXNPFEDSA-N 407.540 1.615 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1303497801 ZTDCBQQYXOEWEF-XUVXKRRUSA-N 423.489 1.566 30 10 HDEE C#CCCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1312647793 PLCQQWYRYDCTMU-XHSDSOJGSA-N 406.483 1.624 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1313484934 KITFREMRLVEMGG-IAGOWNOFSA-N 401.515 1.222 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H]1C 1314557389 FFLRZFRUPGOIAK-HUUCEWRRSA-N 402.524 1.991 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2CCCO)CCO1 1316539932 HYNFBXLFSVUMDX-OALUTQOASA-N 402.543 1.586 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2CCCO)CCO1 1316539934 HYNFBXLFSVUMDX-RTBURBONSA-N 402.543 1.586 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)C1 1323851667 BFUYGSLIKKASQZ-OAHLLOKOSA-N 401.916 1.913 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 1325229269 WSMRVEUTAKUFPK-UWJYYQICSA-N 400.479 1.238 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1359039258 BAWIJAUXTZAJRE-GOSISDBHSA-N 409.494 1.424 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359055134 UADNFCJMOVPLSA-OAHLLOKOSA-N 405.549 1.638 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1359121936 OWXKTQREGGRGFW-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359233526 IQCSFDZXOJCDMU-CQSZACIVSA-N 420.495 1.757 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1359238233 DAGRLAAUBLJDND-KRWDZBQOSA-N 414.485 1.875 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(-n2cccn2)c1 1359281066 NJYRSBDCKDMOLO-QGZVFWFLSA-N 422.493 1.497 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359299915 POCTYCVIJRHTNI-ZWKOTPCHSA-N 420.558 1.021 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](c3cnn(C)c3)C2)nnc1C(C)(C)C 1359335232 FGJKPZLZCCZZDD-OAHLLOKOSA-N 406.556 1.904 30 10 HDEE C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)nn1 1435028098 NZWKIVMOVYKZPN-UHFFFAOYSA-N 418.523 1.433 30 10 HDEE Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ncc1C#N 1441601116 IKYZAJKCVXSYPZ-KRWDZBQOSA-N 414.487 1.649 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H]2CN2CCOCC2)CC1 1444988674 PCZQLZVTWVEKDZ-LJQANCHMSA-N 405.539 1.960 30 10 HDEE C#CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)[C@@H]1CCCc2ccccc21 1460840151 ZELDPKWLFJWWID-QGZVFWFLSA-N 410.474 1.373 30 10 HDEE CCOC(=O)C1(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCC1 1463990106 CBBKSAYMBHVDQQ-UHFFFAOYSA-N 405.520 1.928 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1470032143 FBSWBVSZJKFEOF-HNNXBMFYSA-N 420.395 1.911 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)NC(=O)COc1ccccc1)C1CCOCC1 1470311888 KTHHDRSQSPHLSS-RBUKOAKNSA-N 404.532 1.848 30 10 HDEE C[C@H](CC(=O)NC[C@H]1CCC12CCOCC2)/N=C1/NS(=O)(=O)c2ccccc21 1471222143 JSSNLTMHYHMYQJ-HUUCEWRRSA-N 405.520 1.827 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CCC1)[C@@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1471251281 MFWIDOZTHQCVTN-ZXYWRSMDSA-N 405.520 1.825 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCONC(=O)OC(C)(C)C 1471457840 PHDGJLDUIVMQGM-CQSZACIVSA-N 419.486 1.415 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)NCC#CCN(C)C)C2 1471631156 TXQLCUDNNRMFOE-VWKPWSFCSA-N 422.526 1.039 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1CCC(C)(N2CCCC2)CC1)c1cc[nH]n1 1471919803 XAUVVAUNQDPBHU-UHFFFAOYSA-N 405.499 1.607 30 10 HDEE COC(=O)[C@@H]1CSCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1473801219 HBJSSHBURFEUSR-GJZGRUSLSA-N 408.549 1.047 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1503275490 XAUWASUSHFHGRR-OAHLLOKOSA-N 418.523 1.371 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1503799983 MXKHZQRTEIGDIE-KRWDZBQOSA-N 418.505 1.848 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1507525075 YCRNQJUMDIEPLN-OAHLLOKOSA-N 405.524 1.739 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)C)c1 1507550622 NJGLNKMCVYUWMX-SJLPKXTDSA-N 410.522 1.788 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CCC)C1 1507637517 QTMAVOJAPMFURH-SFHVURJKSA-N 405.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCOC[C@H]1C 1507655900 PPTUEWSABDVYKG-GOSISDBHSA-N 411.481 1.790 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCC)c1 1507693388 AZLGPFBSHHHUKN-UHFFFAOYSA-N 408.506 1.658 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2C)CC1 1507727689 SEPALESZLCPBDL-UHFFFAOYSA-N 422.533 1.543 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](NC(C)=O)C1 1507743850 LJCRZSZGLBXVMP-QGZVFWFLSA-N 420.583 1.668 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@H]1C 1507773389 REORKQIYUILTLJ-XNFNUYLZSA-N 406.552 1.723 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1507965943 SKSWBBZYLXWTQI-QZTJIDSGSA-N 404.559 1.912 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508088635 HJGRVFUPRHABRP-HUUCEWRRSA-N 417.470 1.091 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)N(C)C)C1 1508115631 CCDUKNZHCLOWGA-MRXNPFEDSA-N 420.539 1.321 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CNC(C)=O)CC1 1508143610 ZYVIIKWHEAPMEL-UHFFFAOYSA-N 409.556 1.499 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1511976842 KZXAMMLSTJSFNJ-QFBILLFUSA-N 422.489 1.741 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1Cc1cn(C2COC2)nn1 1519131319 LPSOHLQITBPEGG-UHFFFAOYSA-N 408.466 1.322 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(n3cc(Br)cn3)CC2)n1 1524967852 GOTUSYISTYNMQT-UHFFFAOYSA-N 406.284 1.640 30 10 HDEE C#C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1528087856 HPEWGCJERGVHCC-STQMWFEESA-N 404.224 1.253 30 10 HDEE COc1ccc2c(c1)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1528317646 FFWYNULISCLZKW-OAHLLOKOSA-N 401.444 1.374 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2ccccc2Cl)n1 1538539895 OIVAULSXWHCJOG-SGTLLEGYSA-N 404.879 1.751 30 10 HDEE Cc1nn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n1C 1538726982 OFJKZJWVQYLXQO-OCAPTIKFSA-N 422.276 1.520 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539044546 CYTLSIYLXYHORF-SJORKVTESA-N 412.494 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCN(C)C1 1539250413 NCDLPAOFINKDMS-FQEVSTJZSA-N 401.873 1.877 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1539413868 OMTGYJIUOAYVGA-KRWDZBQOSA-N 416.526 1.108 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCO[C@H](C)C2)CC1 1539444736 TXMZKYPCBOPGII-LJQANCHMSA-N 411.554 1.529 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1539467019 LPQICAVQYMTEMT-OAQYLSRUSA-N 400.527 1.020 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)nc2OC)CC1 1539481790 FLNDTSQMSKKKDL-UHFFFAOYSA-N 412.494 1.267 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539812384 NSQCYIQAIJGMMV-STQMWFEESA-N 420.926 1.737 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539998794 PVXOUWMPUHWMGE-HZPDHXFCSA-N 424.571 1.303 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)CC2)c1 1540001158 LADSTPFZAFSQTH-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 1540321224 DKYFNFJHFIFVMJ-HNNXBMFYSA-N 403.508 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1540890399 DRKKFWKRCOFQDJ-QZTJIDSGSA-N 419.526 1.202 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@H]2OC)C1 1540890843 KWVWBQLJXBFADK-VVLHAWIVSA-N 405.499 1.062 30 10 HDEE O=C(NCCN1CCOCC1)c1ccc(NC(=O)c2cccc(C#CCO)c2)cc1 1542787323 NLDDTNXQLYHPLJ-UHFFFAOYSA-N 407.470 1.345 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1545704377 XUCGHMFRXUZJGA-ZBFHGGJFSA-N 402.524 1.964 30 10 HDEE CCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548368098 SKJVVWAUPOLLFF-INIZCTEOSA-N 412.412 1.767 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1552754340 CPNQKABBBPCMOG-IRXDYDNUSA-N 412.523 1.772 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)C1 1554356624 QCPGBEOSCGNLOA-LJQANCHMSA-N 401.902 1.800 30 10 HDEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)cc1 1554969179 QPYAHQQKOYHPNV-VFNWGFHPSA-N 412.494 1.940 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(CCC#N)CC1CC1 1555810197 AMEOHZNLEUYPAF-MRXNPFEDSA-N 417.539 1.827 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1556091940 KBSOMNTWMGRCNT-UHFFFAOYSA-N 414.325 1.650 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1556973548 MNFGDQKISYLJJT-QGZVFWFLSA-N 400.456 1.970 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC1(O)CCC1 1557069021 XTQMXAFLUJFGHP-INIZCTEOSA-N 407.536 1.951 30 10 HDEE CC1(C)CCC[C@](CO)(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1557536758 CAUYUQVTWAGZEF-FQEVSTJZSA-N 407.536 1.953 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(C(=O)OCc4ccccc4)[nH]3)C[C@H]1CS(=O)(=O)C2 1558511707 XDMICBNNNBVZIL-YWZLYKJASA-N 413.455 1.382 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c1C 1559447185 ZDWZRCLPZUBKLJ-UHFFFAOYSA-N 401.492 1.046 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN(CCN1CCOCC1)[C@H]1CCSC1 1559945977 HZZGVKAWIULYTI-SFHVURJKSA-N 413.543 1.426 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1561149282 PDKCXWFTOQESON-OAHLLOKOSA-N 417.936 1.940 30 10 HDEE C#CCCN1CCC(NC(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 1565988630 HVPHNITYIQWSFP-UHFFFAOYSA-N 404.515 1.410 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1567313099 PZKRHZIITZNRNW-CABCVRRESA-N 401.529 1.999 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1568251898 FGPJRPOQWWDVJK-ZIFCJYIRSA-N 403.479 1.644 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)c(Cl)c1 1568263212 HNEWZRZXZYXLKZ-UHFFFAOYSA-N 420.878 1.527 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 1584964421 ANYRAOFOJIFKOV-DOTOQJQBSA-N 404.536 1.748 30 10 HDEE C#Cc1cncc(C(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1586810357 ADTUJKAIYFBTRH-UHFFFAOYSA-N 419.226 1.420 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1587638111 BQZFAQHWZKSASC-CABCVRRESA-N 407.540 1.087 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1587808439 RKSMPPAELTUWGW-DLBZAZTESA-N 412.556 1.819 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1587847344 KHAPLTGRNSBUCC-UHFFFAOYSA-N 414.466 1.698 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1C 1587909949 YNLPUHSUDFHWNS-MRXNPFEDSA-N 405.524 1.735 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1587945862 RSYZOJTYLJGRJB-VFNWGFHPSA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccnc1C 1588574823 TZRRHAOAHIISEJ-UHFFFAOYSA-N 420.477 1.353 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N(C)CC)CC1 1588780894 YITVIUGEDDAEII-UHFFFAOYSA-N 418.904 1.971 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1593746784 NDJHDZFSLMQPJN-QGZVFWFLSA-N 410.540 1.556 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1595219158 QVGPIMLYMJLVFD-CQSZACIVSA-N 401.920 1.542 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1595261363 QIFOJCRLCDJZIE-HXUWFJFHSA-N 422.551 1.854 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1595418618 QWWKGLKVMWHNGO-QGZVFWFLSA-N 404.540 1.558 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1 1595583364 DNGKZFVLIGFQCY-UHFFFAOYSA-N 401.463 1.609 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc(S(N)(=O)=O)c1C 1596978488 OYVFWEWHMPRWBM-KRWDZBQOSA-N 413.503 1.934 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccnc2OC)CCOC1 1616139896 CIYGMEIRLBJSHX-MGPUTAFESA-N 400.483 1.978 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1620081173 VVCUCFQUDWWCGA-HXUWFJFHSA-N 414.441 1.834 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1620358874 IDEOWIKNBQZRHL-INIZCTEOSA-N 402.499 1.194 30 10 HDEE C=CCN(C(=O)Nc1cn(C)cc(Br)c1=O)[C@H]1CCS(=O)(=O)C1 1623617880 NAWLIVLKQPGLEZ-JTQLQIEISA-N 404.286 1.355 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1624255856 BBTCUCIKUOKWBA-OAHLLOKOSA-N 411.476 1.636 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1624820091 WHHRGRXSLPIZBE-ZBFHGGJFSA-N 406.504 1.980 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1624989045 VPGZLNJXNDFFFA-UHFFFAOYSA-N 410.268 1.958 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1626976915 HYKQBGCSLJEYAI-CUDHKJQZSA-N 422.547 1.641 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CSc2ccc(S(N)(=O)=O)cc2)c1OC 1627357391 VHBVXHSDGBQIIG-HNNXBMFYSA-N 421.500 1.824 30 10 HDEE C#C[C@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1627747560 ZGTWSZRNYXLBMG-HNNXBMFYSA-N 402.520 1.628 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1F 1628662448 MHOZYZYNVKNESN-GOSISDBHSA-N 417.462 1.967 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)c(OC)c1 1632307420 WFNGIBBTQOMONO-UHFFFAOYSA-N 408.462 1.837 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3C(=O)CCC3=O)CC2=O)cc1Cl 1632597733 HZKBOGWFPGJKAM-ZDUSSCGKSA-N 402.838 1.220 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1633696156 RRELHHUBJMGDHW-OAHLLOKOSA-N 418.471 1.925 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC1 1634876427 OXNHYITXYQJKEO-UHFFFAOYSA-N 404.442 1.596 30 10 HDEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)NCc2ccc(C(=O)NO)cc2)c2ccccc21 1635200668 KEJPPOWPVNQZGF-QFIPXVFZSA-N 411.458 1.497 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1F 1636179172 FUVDGRVAQGBCKY-UHFFFAOYSA-N 407.427 1.043 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)c(=O)nc1O 1636937522 CYUMIMXJKPKOJN-UHFFFAOYSA-N 406.446 1.568 30 10 HDEE C#C[C@@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(Br)cc1 1637662928 KLZJDDAWYUTWGE-CYBMUJFWSA-N 424.276 1.108 30 10 HDEE Cc1ccc(CNC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 1638298616 AZCFBKFZZDSTJA-KRWDZBQOSA-N 407.434 1.933 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1OC 1640692017 DPSNMEQRNMSPGR-LBPRGKRZSA-N 417.443 1.659 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1640925360 GIRMQSCGIVKULZ-MSOLQXFVSA-N 419.503 1.991 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1641631159 HOQOQWHGKUJZIJ-IAGOWNOFSA-N 423.558 1.347 30 10 HDEE N#Cc1cn(CCNC(=O)CSc2ccccc2Br)c(=O)nc1O 1641970710 PWPMJYXRMSFRIK-UHFFFAOYSA-N 409.265 1.492 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2cc(C(=O)OC)ccc2C1)c1cc[nH]n1 1643747368 OBKGKZZPELGDSL-UHFFFAOYSA-N 414.418 1.065 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1644570171 ANFXTEBPUCWXPP-UHFFFAOYSA-N 415.943 1.932 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1nn(C)cc1I 1644588066 WGIVCMSYFULBBD-CYBMUJFWSA-N 410.215 1.702 30 10 HDEE COC(=O)C1(C2(O)CCN(C(=O)COc3ccc(C#N)cc3OC)CC2)CCC1 1648711914 UXDZWQMAAONUAV-UHFFFAOYSA-N 402.447 1.642 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cccc(C(=O)OC)c2Br)cn1 1655958552 ODHXWKRNFPLFSQ-UHFFFAOYSA-N 412.265 1.544 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)c1 1660893306 WGFWPPBLEXASAE-MHZLTWQESA-N 420.516 1.445 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)n1 1661855291 UJVMDMGSWOPAJE-UHFFFAOYSA-N 408.455 1.739 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1670411051 FDZOOCNIYDCDSP-CQSZACIVSA-N 403.460 1.920 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 1674325753 CUFZVHRYDZSBEL-GOSISDBHSA-N 411.506 1.962 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1682794291 DYZWLVHHANYEKY-UHFFFAOYSA-N 404.511 1.499 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](O)COc2ccccc2Br)nn1 1683482786 AMKFFXQYYJCVLO-ZDUSSCGKSA-N 410.272 1.466 30 10 HDEE C#C[C@@H](NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CCOCC1 1684036835 ROYJHXDUZRQXIL-GOSISDBHSA-N 403.504 1.201 30 10 HDEE C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CN(C)CCN1C 1684806015 XHBSJLSDXTTZPT-OXQOHEQNSA-N 424.553 1.192 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)NCCCN(CC)CC)CC2)C1 1685265007 YQNHSAIZKNKJTN-HXUWFJFHSA-N 405.587 1.354 30 10 HDEE C[C@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)N1CCN(C)CC1 1685805263 BWFWKVGOQCYXFK-QGZVFWFLSA-N 412.538 1.554 30 10 HDEE CC(C)(CC#N)CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1686737859 BEULRSFAJDXGBZ-AWEZNQCLSA-N 416.544 1.650 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F 1689887111 PLSSIDOKQWFEHI-ZDUSSCGKSA-N 406.441 1.526 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1689907595 DQWZDNMKAZRXKA-KSZLIROESA-N 424.567 1.819 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCOCC2)C1 1689943439 SGLLETVHDLOKAW-ROUUACIJSA-N 404.511 1.801 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1689966666 YFANNTCTUXDPAF-MRXNPFEDSA-N 409.556 1.507 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1)C1CC1 1690536711 DEHDNIFZGFQLIC-HOTGVXAUSA-N 410.588 1.775 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)C1 1690685761 CQIVMHBXRBCUNM-BBRMVZONSA-N 424.502 1.252 30 10 HDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cn1 1690873915 QZANHSCKGRQETK-UHFFFAOYSA-N 404.434 1.523 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1691003025 AUGADJMZRPDRIX-HZPDHXFCSA-N 403.508 1.852 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNc1ccccn1 1696336893 LBNASADNJNPAQK-GOSISDBHSA-N 410.526 1.888 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1696762611 AKDAKOUYDVYLNF-CQSZACIVSA-N 404.421 1.671 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705530177 TVAYPKFZSUCDFO-KRWDZBQOSA-N 416.551 1.861 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705532175 HSEIOTPOGINRNH-RBUKOAKNSA-N 414.554 1.328 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705534643 NEVNWIVOHPZJDG-SFHVURJKSA-N 410.478 1.665 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1705578166 ITCLNORHDHNVEV-UHFFFAOYSA-N 412.471 1.324 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC1(O)CCOCC1 1705590513 NGSTXRDSQXREGV-JOCHJYFZSA-N 416.522 1.325 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCc2cnn(C)n2)CC1 1705634193 MSTYQUNWPRRTNU-UHFFFAOYSA-N 420.521 1.470 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705657864 TWJUWCNKOXZIBT-UHFFFAOYSA-N 409.519 1.306 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1705830330 MUUSDJHJWSNYGR-VQIMIIECSA-N 410.540 1.390 30 10 HDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1705832152 OKAIVXAALBLXNH-HNNXBMFYSA-N 416.507 1.591 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3c2OCO3)C1 1705913906 AXHRBJOZVQCAEO-INIZCTEOSA-N 413.478 1.975 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(C)C)C1 1705922114 GMEXOGOFONWYEO-IKGGRYGDSA-N 414.510 1.906 30 10 HDEE CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1706961284 CSOMJPKDTUGOKJ-KSSFIOAISA-N 411.503 1.439 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1708258309 AMEXZNMWCOSRIR-QAPCUYQASA-N 424.505 1.869 30 10 HDEE CCn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1710198166 NOMWBNJFUQQOPA-ZDUSSCGKSA-N 414.420 1.536 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CCO1 1712288554 RGRKGXOTYNRPNL-INIZCTEOSA-N 407.421 1.950 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1712877283 HCYDSWPSHZGMJU-OXQOHEQNSA-N 414.441 1.484 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1722275720 BDBZYOSPISHCSB-KSFYIVLOSA-N 411.506 1.730 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCCO2 1722342647 UJERVWRQMPTFEE-UHFFFAOYSA-N 404.430 1.814 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2cnn(C)c2C)n1 1722427611 LTPDIQGSXJLOCD-UHFFFAOYSA-N 410.526 1.974 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)C(C)C)CC1 1722448134 SMAJRYQUGAUXHS-LJQANCHMSA-N 416.570 1.826 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1722458631 PJINEERGSZYYDT-CABCVRRESA-N 400.570 1.755 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722537093 KMSLFYJCEQXICT-SFHVURJKSA-N 413.526 1.800 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722577343 DELWUBPVQSRYFH-ROUUACIJSA-N 400.527 1.890 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722589777 XAVTXNLGHMYTTM-OAHLLOKOSA-N 401.515 1.217 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCCC1(C)C 1722680759 YQXIQHLNPBEZCR-NRFANRHFSA-N 405.543 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722697429 JQLMMMANTILSBJ-WCQYABFASA-N 413.404 1.137 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(OCCO)c(OC)c1 1740612656 XELIZNYQIBXYIE-UHFFFAOYSA-N 407.474 1.761 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnn1 1740641910 PANUEGNPTOCWFU-UHFFFAOYSA-N 408.491 1.024 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCn1cncn1 1740675583 DYECFQFVNIYNRZ-UHFFFAOYSA-N 422.468 1.585 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(N)=O)CC1 1740763026 XHRXUZPBYZPVOF-LNLFQRSKSA-N 403.527 1.855 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740787106 AJAIFKSNRIVURW-JKSUJKDBSA-N 404.515 1.857 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1740794253 UTHDLOSLGIXLEP-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNC(=O)c2cc[nH]n2)CC1 1740817824 VISAGZFWBFJVDD-UHFFFAOYSA-N 414.514 1.506 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740914865 MFUUQKVGIPBOKV-LJQANCHMSA-N 414.535 1.932 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1745791502 KCZBHZHYCXHJEX-CVEARBPZSA-N 410.434 1.457 30 10 HDEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748393728 GVFCEPDSNMKOGQ-MRXNPFEDSA-N 424.509 1.029 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1748639692 KSINLLLXQUIRGQ-HUUCEWRRSA-N 416.551 1.668 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1748793356 HDEGPLUQWYIWHF-UHFFFAOYSA-N 412.519 1.411 30 10 HDEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1748899130 KZXYTFFMFAUQLV-CJNGLKHVSA-N 411.466 1.680 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 1748989724 CIDTWHSEFDVSPA-LJQANCHMSA-N 416.570 1.038 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749097605 FFDPZZKFNOLYJU-QWHCGFSZSA-N 423.315 1.339 30 10 HDEE C=C(C)COCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1749241371 KTVQXAZOYWAKBP-OAQYLSRUSA-N 419.526 1.334 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1(=O)=O 1749828677 GFJQEPXUJYBWHE-MRXNPFEDSA-N 420.539 1.617 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1749944590 YWTIIBPHNOFMBV-ZWKOTPCHSA-N 420.558 1.710 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cs1 1751775813 GEKPBMKLEYNFOS-PMACEKPBSA-N 415.567 1.831 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1752269888 BCOWUXGVXVJDRL-CJNGLKHVSA-N 416.432 1.908 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760142587 GXWMOUXQYBLJOD-OAQYLSRUSA-N 401.511 1.545 30 10 HDEE C#CCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760159909 SHBBKMASZLGNDG-YLJYHZDGSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760192107 DTSXVJMAPCIVDV-VQIMIIECSA-N 410.540 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1760200726 BCCWKDIAKNNRPS-QHCPKHFHSA-N 400.486 1.988 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCc1nnc2n1CCCCC2 1760201578 WJZZFZICSRUFOH-UHFFFAOYSA-N 400.490 1.974 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCNS(=O)(=O)CC 1760213717 NFGRYRRIDDLBKU-UHFFFAOYSA-N 413.547 1.910 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760278559 YLBNOZJUUSAMBR-LSDHHAIUSA-N 409.581 1.908 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1760281631 PCYUYNNRLZTFAH-YJBOKZPZSA-N 410.565 1.163 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCS(C)(=O)=O 1760320074 RZVZCGHFLGEMPM-RDJZCZTQSA-N 407.540 1.746 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1 1760334334 JBBSZLQDNYVBGT-HPFXQQBRSA-N 405.499 1.062 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760516338 LMDYCJKAKCSDNO-MGPQQGTHSA-N 419.448 1.939 30 10 HDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760563510 UKKQWYGJRKJLSN-MRXNPFEDSA-N 405.499 1.955 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1ccnn1 1760734594 LBMXWZSDXQEBKU-UHFFFAOYSA-N 420.525 1.851 30 10 HDEE Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762628055 LHMAYAOFJCTZRM-SHQVNNEXSA-N 422.489 1.865 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)NC 1763740616 FCHQNZHJOWQELN-AWEZNQCLSA-N 413.530 1.168 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1765922994 LXAYTRQRRZTONP-KBXCAEBGSA-N 415.441 1.331 30 10 HDEE CO[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1(C)C 1770623263 KYCVEUZZMJWLFK-DOMZBBRYSA-N 422.511 1.262 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C 1772522825 AWHYYIANVMTZGL-IIBYNOLFSA-N 405.510 1.863 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCCN1CCC(C#N)CC1 1849996916 DRNJWGIPDRPFCC-GOSISDBHSA-N 421.567 1.144 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(-c2cccc(Br)c2)[nH]n1 1850591091 KAPAJXVFQIUJTF-UHFFFAOYSA-N 403.280 1.905 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850807934 CHRNZKYDKJZUFX-KRWDZBQOSA-N 415.918 1.962 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)[C@H]1CCN(C)C1=O 1850863877 YHBBOQHZHQBBQH-PBHICJAKSA-N 401.463 1.302 30 10 HDEE Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2[C@H](C#N)c2ccccc2)n(C)c1=O 1851071193 YONXMFMISVASLT-IAGOWNOFSA-N 420.473 1.122 30 10 HDEE Cc1[nH]nc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c1Br 1851545665 DNBBNFTXOOFBNL-UHFFFAOYSA-N 403.180 1.965 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3ccc(C#N)nc3Br)CC2=O)CC1 1852169179 XYIQIAUXZPEUMU-LLVKDONJSA-N 406.284 1.597 30 10 HDEE C#CCNC(=O)C[C@H]1COc2ccccc2N1S(=O)(=O)c1ccc(OC)cc1 1852456755 VDWLCIVUNBSRCX-HNNXBMFYSA-N 400.456 1.791 30 10 HDEE COC(=O)CN1CCC[C@@H](NC(=O)c2nc(C)c(Br)c(C)c2C#N)C1 1852653521 TWCXNNASNIAHPZ-GFCCVEGCSA-N 409.284 1.700 30 10 HDEE Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3[nH]ncc3C#N)CC2)c1C 1853031433 BJOURPREJKDRFE-IBGZPJMESA-N 406.490 1.852 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCCCC2)c2ccncc2)CC1 1853482035 ROCADGQDUIUCIV-UHFFFAOYSA-N 406.508 1.800 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CCC1=O 1853680724 NCVTVWILBRTUFW-MRXNPFEDSA-N 407.478 1.491 30 10 HDEE C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1853830688 ITWYPWNAIITVNW-OAHLLOKOSA-N 416.909 1.949 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3cccc4c3OCCO4)C(=O)C2)cc1 1853861203 ODRWEPYWTLISJP-UHFFFAOYSA-N 405.410 1.497 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN(C[C@@H]4COCCO4)CC3)CC2=O)cc1 1854442596 UQQVMRSYXRTIPW-NHCUHLMSSA-N 411.502 1.603 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cncc4ncccc34)C(=O)C2)C1 1855047151 SCUSHTUSJGRQLJ-SJORKVTESA-N 406.490 1.681 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3ccccc23)CCN1CC(=O)c1ccc(C#N)cc1 1855166117 FYTURWFVRSKWKC-HNNXBMFYSA-N 401.426 1.762 30 10 HDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCC3)C2=O)CC1=O 1855619487 OHVFHZYIPYONSE-AWEZNQCLSA-N 400.504 1.582 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1856230892 BLGFLONDPCPVBA-SFHVURJKSA-N 406.486 1.954 30 10 HDEE Cn1nc(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1-c1cccnc1 1856519089 VSPZJDCZOJIEOU-WMZOPIPTSA-N 404.474 1.849 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCN(CCC#N)C4(CCCCC4)C3=O)C2)no1 1856629582 WZMUQPITTBMQTF-UHFFFAOYSA-N 413.478 1.342 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCCN([C@H]4CCOC4)CC3)CC2=O)cc1C#N 1856940019 CMOINLWVSINMIQ-RXVVDRJESA-N 410.518 1.652 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(Cc4cccnc4)C3)CC2=O)cc1C#N 1857165450 GNJWPDVREUGXRV-NRFANRHFSA-N 403.486 1.821 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1857485047 AUYVQYQHYCDGME-DLBZAZTESA-N 423.510 1.614 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1857492569 RSKQNSDKTMAISO-RTBURBONSA-N 419.547 1.784 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858298155 GRJYEKPWVBVJMQ-LSDHHAIUSA-N 408.380 1.442 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 1858375780 SXHXOIPSWBSNNU-HNNXBMFYSA-N 402.410 1.641 30 10 HDEE CN1CCC[C@H](C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)C1 1859093150 IEUDUEAPSMAHME-AWEZNQCLSA-N 409.450 1.300 30 10 HDEE C=CCOc1cn(CCCN(CC)CC)c(CN2CCC(C(N)=O)CC2)cc1=O 1870385616 FWPMLGWGYZKSFC-UHFFFAOYSA-N 404.555 1.842 30 10 HDEE C=CCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597049 OIKHYVHOGHDJAT-UHFFFAOYSA-N 413.526 1.606 30 10 HDEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593780 ICQHWMDTLDUDRJ-UHFFFAOYSA-N 419.489 1.644 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl 2118172225 ZFDCUPMVAXXNPO-CHWSQXEVSA-N 401.872 1.782 30 10 HDEE C[C@@H](NS(=O)(=O)N1CCOCC1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625920 DNTSGORLTIEXBQ-GFCCVEGCSA-N 402.347 1.275 30 10 HDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2243384744 VQZLUTWGDVQGSR-NEPJUHHUSA-N 406.292 1.115 30 10 HDEE Cn1cc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2243389922 YXWBHYWDLPYSDA-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE Cn1ncc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2243424819 YGDXJNJJXJZVOS-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247812878 SMKDMQGCMWRRDA-AWEZNQCLSA-N 420.315 1.601 30 10 HDEE C[C@H](NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2247914244 IDKQXZPOFCAEDX-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE C#C[C@@H]1CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258157633 DMTDOQITRRMJQU-HYVNUMGLSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3C[C@@](N)(C(=O)O)C3)sc2Cl)OC1(C)C 2281960898 GHIYZCVJVAFOLT-YJVHSWMSSA-N 400.693 1.375 30 10 HDEE CC[S@](C)(=O)=NCCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281981618 OLWRTBKWFAPARV-SANMLTNESA-N 401.363 1.598 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC2(CC1)OCCO2 2282309533 GTGGZXGNEUEKCY-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCN[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282317992 BRAQPBYXUVQSQD-STQMWFEESA-N 400.375 1.775 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)NC 2282322086 GDZNGULSVKXEMS-NSHDSACASA-N 402.347 1.159 30 10 HDEE CS[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335553 QXDLXXWAZXQFIF-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CNC(=O)OCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282346939 RENZPDNSXZYBKE-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE C[C@@H](O)C1(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282494884 DTCPDLQZMZWQFT-LLVKDONJSA-N 401.721 1.831 30 10 HDEE CCOC1(C)CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282508748 APIHKHRRNNOGRM-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(C4CNC4)CC3)cc2Cl)OC1(C)C 2282841522 VYZYENFWBAVRAA-UHFFFAOYSA-N 418.777 1.731 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3C[C@H]3CO)c(Cl)c2)OC1(C)C 2282866689 NLGJUSQMHPAYNH-ZANVPECISA-N 422.139 1.952 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284403463 RWFKZGPXKCAJTP-GWCFXTLKSA-N 401.315 1.531 30 10 HDEE C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410331 STAWHOHAYNDYJW-GHMZBOCLSA-N 401.315 1.531 30 10 HDEE NC(=NO)c1cc2c(n(C[C@@H]3CC3(Br)Br)c1=O)CCC2 2294825284 JNYQXXVVPGSOQY-QMMMGPOBSA-N 405.090 1.938 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)c1 2297644957 BYXHTJQLBMNCLU-UXHICEINSA-N 406.442 1.474 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)NCS(C)(=O)=O)OC1(C)C 2343813550 JBMJNSVPZSARHU-UHFFFAOYSA-N 408.738 1.502 30 10 HDEE Cc1cc(C)nc(N/C(=N/C(=S)NCCCN2CCOCC2)NCC(C)C)n1 14156297 DLPSXDCUADQRQZ-UHFFFAOYSA-N 407.588 1.704 30 10 HDEE C#CCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 111045811 FPNIETFEIWFOGX-CYBMUJFWSA-N 410.344 1.889 30 10 HDEE N/C(=N/O)[C@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 236339564 LIDNJTMCSLZKMB-ZCFIWIBFSA-N 413.091 1.861 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2cc(C(=O)OC)on2)c1 427039564 ZICDJAVCPQAFPM-UHFFFAOYSA-N 407.448 1.591 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cccnc3C#N)CC2)cc1 428245991 XZKJTRNNJKOFFS-UHFFFAOYSA-N 414.487 1.935 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)c2ncc(Br)cn2)CC1 432998295 HINGUMWFNBAHAW-UKRRQHHQSA-N 409.332 1.582 30 10 HDEE Cc1ccc(C(=O)NCc2cc(O)nc3ccccc23)cc1S(=O)(=O)NCC#N 443529980 NUSASYPKNIAFIX-UHFFFAOYSA-N 410.455 1.981 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cc(C#N)ccc3OC)nn2)cc1 447203836 OLQRBEZFGNBRIS-UHFFFAOYSA-N 406.402 1.411 30 10 HDEE Cn1ccnc(N2CCN(C(=O)c3occc3COc3cccc(C#N)c3)CC2)c1=O 465231862 ACDYUGKVJGIHHD-UHFFFAOYSA-N 419.441 1.786 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 471510415 LBKCRDWXTRUKPY-UHFFFAOYSA-N 422.485 1.901 30 10 HDEE CC(C)N(CCOCCNC(=O)c1ccc(C#N)nc1)C(=O)c1ccc(C#N)nc1 473019512 CPVVANSHPHYWNE-UHFFFAOYSA-N 406.446 1.517 30 10 HDEE CC1(C)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 474680145 HGKJMVAQDZUJNZ-GCJKJVERSA-N 412.490 1.639 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)NCC3CCN(CC#N)CC3)CC(=O)N2C(C)(C)C)cn1 480116520 YZOLAUHGWWBBIQ-HKUYNNGSSA-N 400.527 1.460 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 506404989 GYJGVTFREJGOQG-UHFFFAOYSA-N 415.471 1.756 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4ncc([N+](=O)[O-])cc4C#N)CC3)C2=O)n(C)n1 507914914 YYCNOICAMVWKKR-KRWDZBQOSA-N 424.465 1.221 30 10 HDEE C=CCOc1ccccc1CN1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 509540919 JZJHMUQLKWFDOH-UHFFFAOYSA-N 405.476 1.450 30 10 HDEE CC[C@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 523355511 ZCKNLLLRAXZCRL-OAHLLOKOSA-N 416.297 1.611 30 10 HDEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3ccc(C#N)cc3F)c2)CC1 530634177 HCTDPLPFAPYZCC-UHFFFAOYSA-N 416.478 1.815 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)CC1 539250473 XWOPDTKPZWQQDS-FQEVSTJZSA-N 418.586 1.339 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(C)cc3)s2)CC1 542801782 IYLSMDJWRZGQRX-UHFFFAOYSA-N 414.535 1.519 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@H]2CCCO2)cc1 549884163 HGXJUMXMSFJPDB-GCJKJVERSA-N 422.489 1.624 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)cc2C1=O 552716950 NOSHUXDOJARPDU-CQSZACIVSA-N 405.476 1.013 30 10 HDEE C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555583812 ICBRBPPIKZLTCW-OXJNMPFZSA-N 404.470 1.995 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)cc2C1=O 557146790 WFXQWOLEQRLYBL-OAHLLOKOSA-N 411.380 1.462 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 575369563 WLKBCJVWQVFYMC-NVXWUHKLSA-N 405.524 1.994 30 10 HDEE COCCOCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc1 577978680 GZFVIFSGGBBQSR-UHFFFAOYSA-N 412.511 1.482 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 581517049 MERSZJMXVIDXHK-KBPBESRZSA-N 403.574 1.375 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)c(F)c1 585720581 ODHGBLVRRRCGRM-UHFFFAOYSA-N 423.492 1.642 30 10 HDEE COC[C@@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 586845955 HJVQVFWHESWORZ-LJQANCHMSA-N 407.474 1.542 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 590041843 IYWMKWCZKSCIKQ-ZFWWWQNUSA-N 418.450 1.439 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2nnc3ccccc3c2=O)cc1 604545628 YYCHWGKIUYKEEO-KRWDZBQOSA-N 420.454 1.203 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CC2 610625637 JVZOUIOPIURPLZ-UHFFFAOYSA-N 414.487 1.539 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)nc1-c1ccccn1 610815268 IBRDMCKRMRYCQS-CYBMUJFWSA-N 410.459 1.659 30 10 HDEE C=CCn1c(CCc2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 669813950 ASBGYNVRLABQHO-UHFFFAOYSA-N 405.506 1.670 30 10 HDEE C#CCN(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)[C@@H]1CCS(=O)(=O)C1 729334397 ODHSCUUWDPUVIE-CYBMUJFWSA-N 406.460 1.456 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 731213743 QIFARWIRTWFGRN-MSOLQXFVSA-N 418.515 1.244 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCOc1ccccc1C(F)(F)F 732461889 CHIDLDPUQNYLGA-FOCLMDBBSA-N 412.368 1.910 30 10 HDEE CCNC(=O)COc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732675074 WOFOXEWSBYJOAG-KRWDZBQOSA-N 415.494 1.092 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1nc(-c2ccccc2)ccc1=O 734291127 GVRPXJJYUZWRIM-UHFFFAOYSA-N 408.439 1.596 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(C)c3)c2=O)cn1 735069322 SRYMBVWUHFIAPQ-UHFFFAOYSA-N 407.499 1.063 30 10 HDEE N#C[C@@H]1CN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CCN1C1CC1 746885258 DRZRXGZGQOHBDF-MRXNPFEDSA-N 411.487 1.842 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 747855646 BGXQMGVGJZWAGI-IAGOWNOFSA-N 413.522 1.366 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2c(F)cccc2F)C1 755634338 UMOQIGSMDIXXHX-LBPRGKRZSA-N 420.441 1.398 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1 760777000 JUYRVYKSHDIJGF-UHFFFAOYSA-N 420.441 1.841 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC2)n1 760800220 QQQVWTCCRSKTSD-GOSISDBHSA-N 406.402 1.703 30 10 HDEE CCOC(=O)CC[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 762257672 MVIGCDLKXUDLEA-GOEBONIOSA-N 423.535 1.988 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(N2CCCS2(=O)=O)c1 765071705 PNYKTYZGGOZPBW-UHFFFAOYSA-N 406.489 1.358 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 765723238 IDQZAZORRACGMM-OGLOHFSISA-N 418.494 1.762 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 765901793 WXHNSCUSANGVBT-DYVFJYSZSA-N 403.460 1.083 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 767163818 SRICJBJPMUEKQP-CYBMUJFWSA-N 411.480 1.173 30 10 HDEE Cc1sc2nc(COC(=O)CCN/C(O)=C3/N=CC=CC3=O)nc(N)c2c1C 771978922 QWLHQEXEYFMPHX-ICFOKQHNSA-N 401.448 1.850 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cn1 774288347 MNOKJKHPCMMLNH-HNNXBMFYSA-N 424.571 1.063 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790604252 PBGJMQMKPRDVIJ-BEFAXECRSA-N 415.556 1.859 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C 790677406 NNRRJKKJBGPUEN-NRFANRHFSA-N 420.510 1.875 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 792745468 INDKBGSCAULUSC-HZPDHXFCSA-N 417.535 1.501 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(CCNC(=O)OC)s2)C1=O 798465936 MQPSMEUBXCBYRW-ZDUSSCGKSA-N 401.510 1.054 30 10 HDEE C#C[C@H](NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@H]1CCCO1 804671354 ICFDVSXEVQNKTK-OKZBNKHCSA-N 415.490 1.666 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 807109689 KNNGKOLZZFSLRK-PMPSAXMXSA-N 407.515 1.836 30 10 HDEE C#CCNS(=O)(=O)c1cccc(-c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)c1 813341905 SNQOCBZHHLODGT-UHFFFAOYSA-N 410.455 1.731 30 10 HDEE CCO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1(C)C 816289946 DCGBUYJJOCVQSJ-BTYIYWSLSA-N 422.526 1.669 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccc(F)cc1 916664647 PJMKPCIYUYNYJB-UHFFFAOYSA-N 405.410 1.836 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 1117626136 KJEXXEBGICFWGR-ONTIZHBOSA-N 401.530 1.853 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H]1c1cccnc1 1126631090 NNOOTPABOGQQRZ-MOPGFXCFSA-N 417.429 1.130 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1128703503 LNLWDKFMSJPJBL-MRXNPFEDSA-N 416.341 1.963 30 10 HDEE C#CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1133710063 RFQKQXIYYYOVIL-UHFFFAOYSA-N 422.503 1.018 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 1139833708 OEFJUNFPTYTJSQ-QUCCMNQESA-N 412.465 1.208 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1142078030 OOCQYKPIZKPWHT-GJZGRUSLSA-N 404.529 1.925 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccs2)C1 1143720157 OAEFVTKTYPVTMP-INIZCTEOSA-N 404.517 1.635 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3cc(C)no3)CCOCC2)cc1 1150429528 OYHYUHQWHRWSGZ-UHFFFAOYSA-N 403.460 1.330 30 10 HDEE CC(C)(CO)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 1163440449 ATBVAVOQFCCKMS-KRWDZBQOSA-N 407.517 1.774 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]([C@]4(C)COC(=O)N4)C3)CC2)o1 1178125424 HQOUOFOMLMRJAU-YWZLYKJASA-N 401.467 1.808 30 10 HDEE C#CCN(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 1184283045 AWSFMIBSKWEYKU-UHFFFAOYSA-N 415.446 1.761 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 1185753436 OMBVJSAPCUCFAI-SECBINFHSA-N 407.926 1.709 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1207008453 PAXVYAAPGAESPR-JTQLQIEISA-N 403.423 1.342 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[C@@H]3CCCS3(=O)=O)CC2)c1 1246804865 XHCRTISUVYRGGN-SFHVURJKSA-N 418.519 1.886 30 10 HDEE Cc1ccccc1-c1nc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)no1 1251276957 FCXATAUQSWJRNE-UGSOOPFHSA-N 401.448 1.125 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCN1CCCS1(=O)=O 1286362913 KSKAINKMGDSLCQ-UHFFFAOYSA-N 424.530 1.907 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286503876 KJHRHKRQURLNAZ-PKOBYXMFSA-N 412.563 1.863 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286601094 SEZXRLAHFYUIBZ-HXUWFJFHSA-N 406.575 1.410 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@]1(OCC)CCOC1 1286792777 HMMUZDOYKUURDN-KUHUBIRLSA-N 413.469 1.714 30 10 HDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1287276697 AKFJIJJVRQXCBH-DENIHFKCSA-N 410.522 1.745 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cnnn1C 1287470866 FSNWRONBCXMHBT-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CC1 1288985885 GAOPVOWLCIDISZ-CYBMUJFWSA-N 414.432 1.981 30 10 HDEE CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1293523981 QYCCCIUPNVHFQL-WFASDCNBSA-N 424.552 1.733 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1296989334 ADUNOGYERRCMTN-MRXNPFEDSA-N 416.478 1.408 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1299015873 LAYNSKOPCSOMGG-OAQYLSRUSA-N 412.494 1.442 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CCO1 1299134122 OGRVMRDSYSUJPO-OAHLLOKOSA-N 420.420 1.397 30 10 HDEE CO[C@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CCOC1 1299806568 MTKSKFKNGXRZGI-YJYMSZOUSA-N 402.455 1.550 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 1300214975 JUBGOZJUUVSSHW-IEZWGBDMSA-N 421.515 1.960 30 10 HDEE C=C(C)CONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1300220222 PGMZKTQZBTXPJT-LBPRGKRZSA-N 423.413 1.242 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCNC(=O)Cc1cccc(F)c1 1300300387 ZBWWMFVOCIEZTD-OAHLLOKOSA-N 407.453 1.691 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300365317 ULBASZSMHJGFQZ-JKSUJKDBSA-N 407.540 1.076 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnn(CCOC)c1 1300519719 AJKNCBLQHROMEK-UHFFFAOYSA-N 409.881 1.958 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300630099 OEKQNHURPGFVKV-QGZVFWFLSA-N 402.524 1.005 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1300801297 MFKAPUGOGUPYLJ-FDDCHVKYSA-N 420.517 1.928 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300848022 ACRPRKLJWPULIF-OLZOCXBDSA-N 419.345 1.704 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301198028 VYIMNAJHAMSNTF-HXUWFJFHSA-N 401.515 1.868 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1301223021 LHRMOQWIHRHJEF-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1301308923 MLYYHFVMKXRRQO-MRXNPFEDSA-N 401.492 1.786 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301438314 BXZJDOXWNRSYPU-YADHBBJMSA-N 424.505 1.321 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301500797 POCTVVTWEYQELM-IAGOWNOFSA-N 418.542 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C)C1 1301593153 JWHQPFCSZCZFBJ-KRWDZBQOSA-N 420.535 1.991 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@@]1(C)CN(C)C1=O 1301806081 XJIMQNSURPBZHV-HXUWFJFHSA-N 400.458 1.929 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1301958480 BZCYRICIXXFLBS-SJLPKXTDSA-N 412.542 1.812 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1 1303768811 GYKNSUQJXMPIMU-RHSMWYFYSA-N 421.519 1.583 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nc(C)no3)C2)cc1 1304190803 NYZLLQVGVNCQAM-OAHLLOKOSA-N 402.476 1.384 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(C)c(Br)c2C)CC1 1308914665 PHDVVXMRFXVPSX-UHFFFAOYSA-N 400.342 1.651 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1309465234 XJZPPLCDHSBPQH-UHFFFAOYSA-N 411.528 1.136 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 1311909382 MPRUYONBAVDUOE-UHFFFAOYSA-N 421.501 1.795 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1358938622 GKCCPBPBVVAMQT-CQSZACIVSA-N 421.523 1.218 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1359035282 PSOGFZLWSMLOLF-QGZVFWFLSA-N 412.542 1.322 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNS(C)(=O)=O)CC1 1359172614 BFOVMGMGUDNZKX-UHFFFAOYSA-N 412.560 1.148 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359225730 JHQDHDRWKRDGQG-KRWDZBQOSA-N 417.514 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(C)C 1359295772 NGIUJPFPKKODNY-UHFFFAOYSA-N 409.498 1.705 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1360607485 XUOFJUWUBUXGSR-IEBWSBKVSA-N 402.543 1.880 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)c2ccccc2C1=O 1361287697 YRTCVMMPKDGUHG-CYBMUJFWSA-N 400.398 1.821 30 10 HDEE C[C@H]1CC2(CCOCC2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1452149767 DKWHCTQFPVWDMB-HNNXBMFYSA-N 405.520 1.923 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(F)c(Br)cc3F)C2)c(=O)nc1O 1457204721 XIRACAJYRYUYGY-UHFFFAOYSA-N 411.162 1.558 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1463630268 CDHROCCEHHHMNZ-IBGZPJMESA-N 415.519 1.167 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(SC(F)F)c2)CC1 1465537953 FAOPJFGUIGMGDV-UHFFFAOYSA-N 404.464 1.618 30 10 HDEE COc1ccc(NC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1C#N 1467163483 AMTQTDWZHQCYHV-UHFFFAOYSA-N 408.462 1.985 30 10 HDEE Cn1nnc2c1CC[C@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1469520674 HCHZRYYLJMMPFH-QOLBRVKBSA-N 414.510 1.575 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1469815499 UBDUZPISJANXIQ-KSFYIVLOSA-N 422.481 1.777 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H](C)COC 1470065821 RYQWSCYMNZLSKC-OAHLLOKOSA-N 412.508 1.566 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(C)C)cc1 1472328762 RHLWPGXCCAPFJT-AZUAARDMSA-N 403.548 1.933 30 10 HDEE C#CC1(O)CN(CCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 1473861481 ZIOABCBHGGYORH-UHFFFAOYSA-N 411.911 1.133 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1492393140 KZLZTWXKEPFKOR-MSOLQXFVSA-N 424.505 1.809 30 10 HDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1)OC 1497170842 BQBJKYRCLZOUSQ-RHSMWYFYSA-N 420.539 1.821 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1503844064 GIOKQCNPRLMIQB-DLBZAZTESA-N 408.462 1.485 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1504886233 BCZFWXZZGIJQOK-NRFANRHFSA-N 416.501 1.441 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnc1C 1505002731 XOVSPWYLJODURT-DOTOQJQBSA-N 403.487 1.326 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1507533554 LLZCMMXYNRYUGS-UHOSZYNNSA-N 416.570 1.824 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1507611536 MSUSLJPRNCMGIJ-MHZLTWQESA-N 408.553 1.076 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1507679770 QKPISHZLAXSQQG-MRXNPFEDSA-N 405.524 1.735 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1C1CC1 1507703085 QDHVWHRAYYRAGJ-LJQANCHMSA-N 414.554 1.617 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1507709913 DYHHVNCMIJNHNK-QGZVFWFLSA-N 417.535 1.559 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(CC)C2)CC1 1507722831 KREDPCNYZKGABX-HXUWFJFHSA-N 403.534 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2([S@](C)=O)CCC2)CC1 1507725393 UVBZLEVEHJQUDJ-NDEPHWFRSA-N 400.552 1.340 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCOCC1 1508072044 BAMIRQZRZCWDTC-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1C1CCN(c2ncccn2)CC1 1508096706 CCAHWYZCQMKNOK-UHFFFAOYSA-N 422.497 1.231 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1517430048 ICJPLZXHDZYOIZ-CQSZACIVSA-N 409.494 1.256 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1ccnn1 1519294756 KSTXWVOKNSKMIK-VQIMIIECSA-N 402.503 1.814 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cnn1CCC#N 1524917160 JKMYRGJBVVEBNQ-UHFFFAOYSA-N 423.445 1.530 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 1531830424 UGZRJARVDMZXEC-UHFFFAOYSA-N 408.524 1.691 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)C(=O)OCC 1531940025 HFASWXZJCGBXTG-KOLCDFICSA-N 405.929 1.842 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cnn1CCC#N 1532964325 KBHJAWGFLZTNQT-INIZCTEOSA-N 403.483 1.558 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cccc4c3CCNC4=O)C2=O)cc1 1536023181 RUPGWJPPMFVPSL-GOSISDBHSA-N 417.425 1.688 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1539002053 OZHDHMHUAWCTOY-VGSWGCGISA-N 405.506 1.655 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539034267 BKBAWDYGVXGHGQ-RRFJBIMHSA-N 401.433 1.851 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC2(O)CC2)c1 1539040214 OKMAXYTZIYQPRR-UHFFFAOYSA-N 402.458 1.921 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1539085902 TZOXIMIWDYMEJB-MDKPJZGXSA-N 401.511 1.665 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1539179310 OMLBZDXELVBHRZ-CVEARBPZSA-N 406.531 1.606 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539203922 WAPNYVANSKOTBQ-RXBISOJRSA-N 412.581 1.113 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1539239648 NXISFRWXNHOUSO-INIZCTEOSA-N 415.519 1.326 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1539365934 SCNHXDWBQURGAJ-GOSISDBHSA-N 410.522 1.912 30 10 HDEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 1540577478 VUSHUOJDXYDMFS-IAGOWNOFSA-N 400.385 1.249 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCCOC2)C1 1540863472 XDOVEPBLDGGZTC-JXFKEZNVSA-N 407.515 1.311 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC)C1 1540890008 YAUBBJQAGLPAPA-AWEZNQCLSA-N 423.477 1.511 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)C1 1540891176 QKJHIPVZNJHKGV-IRXDYDNUSA-N 418.542 1.121 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)[C@H](C#N)C1 1543734206 FJMGOHPCGDKBMB-QGZVFWFLSA-N 404.511 1.997 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2nc(S(N)(=O)=O)c3ccccn23)c1 1543756775 LKKFROPJGUYUMZ-CQSZACIVSA-N 413.459 1.593 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 1544162333 KGPGCVYVNSZGJY-AWEZNQCLSA-N 404.434 1.563 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1555374843 DGDFIPCNIPNQJK-QGZVFWFLSA-N 424.505 1.728 30 10 HDEE COCCN(C)CCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1555522775 IWEIVHPDTUDBGJ-KRWDZBQOSA-N 419.555 1.331 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)CCO1 1555994736 YWHWHKDTOJGOOO-AWEZNQCLSA-N 404.858 1.264 30 10 HDEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCN(O)C1=O 1556750859 YDCBZXHGNWMCAZ-KGLIPLIRSA-N 407.471 1.483 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)ccc1F 1557683118 ZLLIGOINCJTZDQ-HNNXBMFYSA-N 411.499 1.667 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 1560200725 JLIGOMHICGOLCV-MOPGFXCFSA-N 402.458 1.767 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F 1561556152 KSLUMBUULXZITO-UHFFFAOYSA-N 419.443 1.805 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 1561912989 HOFAHBWJJSDKRG-CQSZACIVSA-N 404.410 1.868 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1565458410 ZEJNLKYNYSIZCV-UHFFFAOYSA-N 409.508 1.569 30 10 HDEE C#CCOc1ccccc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1567740941 JUHXCTNGPLIUDM-INIZCTEOSA-N 408.863 1.630 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2[nH]nc3nnc(C)c(C)c23)s1 1568849499 OTMSWFXQLQFYRQ-UHFFFAOYSA-N 406.493 1.677 30 10 HDEE COC1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H]1O 1570616701 VRNBKXPIDLKAFT-QNBXZPKWSA-N 423.510 1.356 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)n2)c1 1584497597 FXPQSNXRSBYEIB-MRXNPFEDSA-N 408.439 1.709 30 10 HDEE N#Cc1cn(CCNC(=O)CCCOc2cccc(Br)c2)c(=O)nc1O 1585292328 JBMZSZUWIFVGEY-UHFFFAOYSA-N 421.251 1.558 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1 1585660590 QWYKGQHBAVRCQC-GUDGHBHESA-N 406.460 1.645 30 10 HDEE C#CCN(C(=O)[C@H]1OCC[C@H]1CC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585671031 QSUONOQAZAJTRY-DJIJXNAKSA-N 400.519 1.678 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](CC)OC 1588099518 PEVBYIPBMSHTSA-QGZVFWFLSA-N 400.504 1.846 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1588167455 WZBRJOGMSIAOJE-MRXNPFEDSA-N 418.515 1.730 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1588266055 LHKMCOYRGJYFOJ-INIZCTEOSA-N 410.588 1.470 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1588266785 VRGOZBBOTITYPW-INIZCTEOSA-N 419.551 1.908 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CN(CC(C)C)CCO1 1588620467 VILICHWCOLCANE-GOSISDBHSA-N 400.527 1.716 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1588812191 QOGUIZIFEBGLAA-VQTJNVASSA-N 400.571 1.658 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1589047801 JSSGQXNCGVEZJD-UHFFFAOYSA-N 412.441 1.995 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC#C)CC1 1589069113 IQEXZBWLTALEGZ-FQEVSTJZSA-N 423.542 1.912 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN(C)C 1589150435 FZXZZEVHGOHJPH-HNAYVOBHSA-N 410.588 1.468 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594812823 KYQHJFUNQDGWKD-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)Cc1ccon1 1594942973 IWJKOKYSFYTBSI-UHFFFAOYSA-N 417.495 1.378 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(C)(=O)=O 1595302892 GGJXNKZQZRZMLX-KRWDZBQOSA-N 422.507 1.474 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1596792277 VJGGYHUKNIDJQY-OXJNMPFZSA-N 416.530 1.676 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CCNC(=O)C(C)C)n1Cc1ccc(C#N)o1 1608290547 KLTOKPKBKDHYFV-UHFFFAOYSA-N 401.471 1.138 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOCC(F)F 1611686402 GFALKBLIEYYTOU-ABAIWWIYSA-N 424.449 1.002 30 10 HDEE N#Cc1cccc(Br)c1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1612177374 BMQLEFANXLHUIH-CQSZACIVSA-N 414.325 1.952 30 10 HDEE CCC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1614410651 ADOQWGCREBBSNA-GJZGRUSLSA-N 418.523 1.813 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCNC(C)=O)C[C@H]1C)C2=O 1615245088 XFZYXGDNCBMJSO-CFMSYZGJSA-N 422.865 1.890 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1616140234 GTNCZQGFZGNMQT-FFZOFVMBSA-N 422.599 1.963 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C[C@@H]1O 1620299931 NCBQPJWIDRKDPF-BEFAXECRSA-N 422.493 1.198 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C1CCOCC1 1623074129 QDLTXERTBIFYEZ-FQEVSTJZSA-N 414.506 1.532 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2Cc3cccc(C#N)c3C2)C1 1628184883 PATRMPRGHRSKLS-MRXNPFEDSA-N 419.503 1.825 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnn4)CC3)CC2=O)cc1Cl 1630270704 AXQXAHZIYAEDRZ-CQSZACIVSA-N 411.853 1.098 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)cc(OC)c1OC 1630469178 MYPUQABCVPZFCW-HZPDHXFCSA-N 420.462 1.536 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(CC(F)F)CC2)s1 1631494014 FTUAAGCIYUWRTD-UHFFFAOYSA-N 407.508 1.601 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 1631790789 UMRWQHUIRZDABN-UHFFFAOYSA-N 414.506 1.977 30 10 HDEE CC(C)(C)OC(=O)N1CCCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1631893009 DONDLWXYGVDGCI-UHFFFAOYSA-N 408.480 1.611 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c(Br)cc2N)CC1 1632624258 QDTIFOCHNNQXTR-UHFFFAOYSA-N 411.275 1.068 30 10 HDEE CC[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cc1cccc(Br)c1 1634007954 IERDMVCXNMJCRC-GFCCVEGCSA-N 419.279 1.968 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-n3cccc3)sc(C)c2C)CC1 1636475472 KCHWUDHVHJFEAA-UHFFFAOYSA-N 406.533 1.381 30 10 HDEE COC(=O)NCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1636631898 VYUCASGIGLILMR-MRXNPFEDSA-N 402.451 1.865 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@H]([C@H](C)O)C1 1638993357 VRCRZEMPRLJBNW-NHYWBVRUSA-N 413.268 1.706 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)C3CCOCC3)n[nH]2)c1C 1641039728 HFEUZBYRQRZWRP-UHFFFAOYSA-N 421.523 1.400 30 10 HDEE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCN(O)C1=O 1641378808 GWGNXZVHPUETFR-GFCCVEGCSA-N 405.270 1.109 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cn(C)c2ncccc12 1642928637 ALDHXQALXYNUQX-AWEZNQCLSA-N 411.487 1.471 30 10 HDEE CC(C)(C)OC(=O)C1(C)CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1643496753 ADIBEWROMYIFDD-UHFFFAOYSA-N 421.519 1.807 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCc3c(CC#N)cccc3C2)ccc1C 1644035986 PKBXMIFQOIPHDU-UHFFFAOYSA-N 412.515 1.966 30 10 HDEE CN(CCS(N)(=O)=O)CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2 1644377061 BCCWTXMERMFIDQ-UHFFFAOYSA-N 415.519 1.387 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1 1654183090 FSPBKWLJCVRSBR-UHFFFAOYSA-N 405.462 1.052 30 10 HDEE Cn1cnc2c1c(=O)n(CC(=O)N(O)Cc1cc(Cl)cc(Cl)c1)c(=O)n2C 1654803401 KCYIZDVXPNRTQZ-UHFFFAOYSA-N 412.233 1.159 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cc(Cl)c3O)C[C@H]1CS(=O)(=O)C2 1654839253 CZCMOYQQKCQHCW-RMLUDKJBSA-N 419.684 1.818 30 10 HDEE Cn1c(N2CCC[C@@H]2Cc2ccccc2Br)c(C#N)c(=O)n(C)c1=O 1655584736 CLOADLUEPKQFPP-CYBMUJFWSA-N 403.280 1.930 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 1655973906 USLQWQQCEQHPKL-QHCPKHFHSA-N 417.421 1.762 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1659159465 LCPKJFJATGFJMZ-WIYYLYMNSA-N 419.547 1.828 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1660892504 OYUQFMHAFMPEBC-QGZVFWFLSA-N 421.519 1.925 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCc2nnc3n2CCOC3)cc1Br 1661647541 GPIITUCZPRBGKI-UHFFFAOYSA-N 416.232 1.060 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1665175431 SZHPFGKTQXMMFY-CYBMUJFWSA-N 406.298 1.770 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1668777195 YBFZQSXVFGBXEH-KRWDZBQOSA-N 410.540 1.461 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Br)c2F)CC1 1673524142 UJGFQRZYHBAXAE-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1677128893 YAOCMDFGRJYEOO-GFCCVEGCSA-N 422.331 1.909 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(CCOC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1678007725 IDGONILUTYKICH-QGZVFWFLSA-N 408.543 1.751 30 10 HDEE COc1cc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1C#N 1680912439 DMLVFHKQVPSGJZ-HZPDHXFCSA-N 404.467 1.736 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@]2(CO)CCc3ccccc32)C1 1681435722 YYIVXEIQIMYYKZ-AQOAWAETSA-N 414.506 1.921 30 10 HDEE C#CCCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2cnn(C)c2)C1 1684598365 AFVOQKVWBWPGLV-OSFNYYGPSA-N 410.518 1.448 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689851935 YAPQFTOIYALXCI-GDBMZVCRSA-N 403.508 1.130 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nccn1C(F)F 1690003632 SOMQKMIMSHWNIC-IBGZPJMESA-N 404.421 1.643 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1690019987 WDPBWDBDVQGYMC-BEFAXECRSA-N 418.544 1.222 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(N)=O)cc1 1690045610 OASPTHOIWBQFSQ-KRWDZBQOSA-N 405.462 1.231 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1690104065 LPJSKFHFCSKTNY-SONOPUAISA-N 416.547 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](C)N2CCOCC2)CC1 1690136835 KFIBNZQGYMHESP-KRWDZBQOSA-N 402.543 1.088 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690523218 WNSJGZXJEBITHJ-UHFFFAOYSA-N 421.553 1.886 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1690558345 MFOPMGRMFHKAKO-UHFFFAOYSA-N 421.505 1.667 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1690622238 LBFOHRICIZNIFV-IBGZPJMESA-N 420.602 1.837 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N(C)C)C1 1690712374 UVJOFICOFYMGSZ-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)N(C)C)cs1 1693362246 UPRULVAPTQYBBA-OAHLLOKOSA-N 403.512 1.231 30 10 HDEE Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693496479 ALDGFSCIQUKBOP-OZNQOIHVSA-N 400.483 1.508 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1694841745 DPQIQQRWSCAMQU-JXXFODFXSA-N 403.506 1.936 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1696477645 FIKNZRGUBUBQAQ-INIZCTEOSA-N 403.508 1.724 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1705516676 GYXOMNWPTBXVAB-KZNAEPCWSA-N 406.552 1.989 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CC#C)CC1 1705531978 BYHDGJHLGUDTBR-UHFFFAOYSA-N 418.549 1.621 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705571522 AFAOCHAIDZCEEG-MRXNPFEDSA-N 421.523 1.289 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCC(F)F)CC1 1705640957 LHMGMPCHTQZLIS-UHFFFAOYSA-N 416.476 1.314 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1705658972 HGWOKGZVYUGDQK-OAHLLOKOSA-N 404.540 1.078 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705905607 AWFSNULORAIUFN-INIZCTEOSA-N 416.570 1.910 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1706076156 YMFLCUAHBAQJAE-HOTGVXAUSA-N 417.539 1.673 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1709128185 GLZFWGXHHGHKDO-LEWJYISDSA-N 424.549 1.964 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1722345651 QKSYYPKFMOVAPV-CQSZACIVSA-N 420.539 1.578 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C 1722374418 YYDQETMMCUTNPP-RCCFBDPRSA-N 421.567 1.412 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1722405320 ALZOVEPDYQKWTN-MRXNPFEDSA-N 423.514 1.639 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1722415052 LEBKUEAPCLIUAG-UHFFFAOYSA-N 414.535 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)OC)CC1 1722449165 HPDQMJKMVLCWKA-KRWDZBQOSA-N 413.526 1.140 30 10 HDEE C=CCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@]1(OCC)CCOC1 1722690269 CXKJDRRECPNLAB-FQEVSTJZSA-N 402.474 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722730482 UDGLCOUOJLDWHH-BEFAXECRSA-N 410.540 1.216 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)COCCO1 1724042313 AVAGWYREOQFIBC-OAQYLSRUSA-N 413.478 1.761 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730553650 STSWTABUSYYEMV-ZDBRSUKYSA-N 416.526 1.965 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CC=CCC2)c1 1731178578 BJHZRQPRKWEHHK-LJQANCHMSA-N 405.506 1.780 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnnn1C 1740644586 MKWRYZYWESSOIJ-UHFFFAOYSA-N 416.489 1.787 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740759417 CGFWZUPEAIGUDE-KONPQCLYSA-N 417.510 1.600 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1740932511 PUUTXTGXJSQTFP-MRXNPFEDSA-N 403.508 1.811 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1740951317 FJALOYYFDMVJEH-HNNXBMFYSA-N 415.494 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@@H](C)C1 1740990232 MVQZNYUFXYTIML-OKILXGFUSA-N 421.523 1.699 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740995247 FUAVJAOLVCIZRG-DLBZAZTESA-N 424.567 1.862 30 10 HDEE CCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1747275597 IDBUQAKVNXMEAE-INIZCTEOSA-N 418.523 1.229 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1748757538 FYXMMPAHVVCMAA-HNNXBMFYSA-N 412.460 1.887 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1748912522 GGOOCQNAOGFHAF-JOCHJYFZSA-N 419.570 1.625 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1748937066 ACGNGTKXWTUGCF-IBGZPJMESA-N 422.482 1.005 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ncccc1N(C)C 1749073106 GSLABITXSUDVJP-JOCHJYFZSA-N 407.522 1.902 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H](OCCOC)C2)nnc1[C@]1(OCC)CCOC1 1749282030 RYZWRQOCQPBNDT-QAPCUYQASA-N 400.907 1.924 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1749630630 VBMYYJNWJGZEID-KRWDZBQOSA-N 423.514 1.963 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749650664 DRZYDLDLLXZRPS-ROUUACIJSA-N 403.575 1.310 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCS(=O)(=O)C1 1750117762 DBCOKBSXDMBASF-VGWMRTNUSA-N 411.528 1.033 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1750344096 DVJDTQOODCJYCY-YMPWJXGJSA-N 404.446 1.103 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCSc1nccs1 1750969589 AGMGCXOYULWDMJ-CYBMUJFWSA-N 421.552 1.784 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1760103744 LFWHXYJEEZTKOM-CQSZACIVSA-N 418.479 1.347 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1760111127 WZBCNYGLHSWPOJ-HNNXBMFYSA-N 412.519 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1760114945 VYOIMDORTYKFGP-CABCVRRESA-N 404.515 1.944 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1760188577 PJVMAVWDCYMXOS-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1760190745 YGRGANLHNPAIQR-OAHLLOKOSA-N 408.553 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1760219832 PMGAFFIIHNAYKW-SFHVURJKSA-N 411.531 1.589 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1 1760242964 TVXUCCBKOCREEM-GJZGRUSLSA-N 415.585 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](CCC)OC)CC1 1760269766 OIFBRMGGIRBRMO-ROUUACIJSA-N 403.527 1.563 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1760294730 FKDVJRXSBIEQAC-QFBILLFUSA-N 406.552 1.989 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)[C@@H]1CC 1760326054 VHFJNBSTSWXVCW-HBFSDRIKSA-N 410.522 1.960 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1760524946 ONRBUGSSOUUASK-IBGZPJMESA-N 404.396 1.891 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C)C(=O)[C@H]1C 1760526774 HFTSHPXITGCCBO-MRXNPFEDSA-N 421.505 1.250 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760572012 SNDYXYZSOAZSRZ-RIFZZMRRSA-N 421.567 1.638 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1763272474 AAHBWOMLBKZUQG-CWFSZBLJSA-N 402.499 1.070 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 1764127529 OYPWXPYJZMJHDW-OXQOHEQNSA-N 422.505 1.834 30 10 HDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1766869625 DIRNFSIFXAFBRD-HZPDHXFCSA-N 412.560 1.440 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1766870750 GQGUKJRHPXKXPL-KRWDZBQOSA-N 407.478 1.106 30 10 HDEE CCOCc1nnc(N2CCC[C@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767886430 PJWNFFJBHJFDJY-IJYGLTAASA-N 418.498 1.204 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1769419255 GMFUVOXEVAUMQS-SOIKWTOOSA-N 411.462 1.356 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1769845117 HOWKQCKHVOSTIY-AWEZNQCLSA-N 415.585 1.688 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCOCC(F)F)c1 1770736211 VWARGMAIBXTLEW-OAHLLOKOSA-N 418.404 1.739 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1771368233 BYTRRZWWWBVVRV-KWMCUTETSA-N 404.540 1.555 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCSCCCO)CCN1C1CC1 1771537031 GNNUSKXWFRHQPZ-SFHVURJKSA-N 413.551 1.632 30 10 HDEE C=CCN1C[C@@H](C(=O)OCC(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 1850959529 PMWJOMIUMMXABH-INIZCTEOSA-N 409.527 1.895 30 10 HDEE COc1cc(C#N)ccc1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851109341 SURWYKZWWAEUKJ-LJQANCHMSA-N 413.499 1.847 30 10 HDEE COc1cc(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc(OC)c1 1851878065 UJSMIJUUKHDYKK-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE CN1CCN(c2n[nH]c(NC(=O)c3cccc([C@H](C#N)c4ccccc4)n3)n2)CC1 1852164723 VKJOPBQZPOODLF-MRXNPFEDSA-N 402.462 1.859 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cc2cncc(Cl)n2)cc1 1852211121 PKJDJDWOXROFLF-SFHVURJKSA-N 416.865 1.867 30 10 HDEE N#Cc1cccc(C#N)c1N(C[C@@H]1CCCO1)C(=O)c1cn(C[C@H]2CCOC2)nn1 1852302795 MCBDODHPSVXJQC-QAPCUYQASA-N 406.446 1.884 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(F)cc1C 1852500349 MBBMGBNTLFASCQ-UHFFFAOYSA-N 420.452 1.901 30 10 HDEE COCCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(C)n1C 1853407032 GLHIIQOUYYJZTR-UHFFFAOYSA-N 406.464 1.131 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3nnn(-c4ccccc4F)c3C)C(=O)C2)C1 1853729146 IOYSOCOULZNEJI-MRXNPFEDSA-N 412.469 1.260 30 10 HDEE CCC[C@H](F)C(=O)N1CCCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885352 WOFWHANZYIVORY-RDJZCZTQSA-N 402.474 1.515 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855042347 WXUSAIZHRLWRHK-DLBZAZTESA-N 416.547 1.862 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855066553 ZYAJEOUCEQEIGU-HOTGVXAUSA-N 402.520 1.238 30 10 HDEE Cn1ccc(C(=O)N2CCC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n1 1855133985 BDRCVEDLNVIKEN-FQEVSTJZSA-N 407.474 1.966 30 10 HDEE Cn1ccc(CC(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n1 1855445807 NHWXAXZHQSPJNO-HXUWFJFHSA-N 407.474 1.505 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)Cc3ncnn3C)ccc21 1855756691 MCGMINRHGRPHNS-UHFFFAOYSA-N 403.464 1.018 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2=O)CC1 1856508040 XGNBZHSGWKFLBJ-QZTJIDSGSA-N 411.568 1.750 30 10 HDEE Cc1cc(C)cc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856653384 STDFRPSHZOAGMD-KRWDZBQOSA-N 405.476 1.830 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)CN4CCCC4=O)C3)CC2)s1 1856903258 IRMWEOHOUNXDHV-MRXNPFEDSA-N 414.531 1.829 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(Cl)c3)C2)CC1 1857027201 VIQDSZAZLQOSTO-OAHLLOKOSA-N 409.895 1.894 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC)c3ccccc32)CC1=O 1857101638 RZQXFJPIITWYDA-GJZGRUSLSA-N 419.503 1.387 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(Cc3cnccn3)CC(C)(C)C)C2=O)CC1=O 1857136723 JMZQOKZXGIMMDK-AEFFLSMTSA-N 413.522 1.487 30 10 HDEE C=CCOc1ccccc1OCC(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)O)C(C)(C)S[C@H]12 1859456758 VYGPSODMZSKTJS-HLLBOEOZSA-N 406.460 1.262 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C)nn2CC 1864319201 PBVALXDVEPCBPJ-FZKQIMNGSA-N 412.490 1.968 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)c2nc(C(F)(F)F)n3ccccc23)c1 1867289299 WIVNJPOCOXKABA-CYBMUJFWSA-N 417.347 1.954 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 1982283946 UWKOFKVOWSRVHJ-LBPRGKRZSA-N 413.334 1.698 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)C(C)(C)S(C)(=O)=O 2157045241 HISOHRXVFNUYOJ-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC[C@H](C#N)C1 2174785434 YXYYDLPXDOQFSN-VXGBXAGGSA-N 414.450 1.854 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CCC[C@H](C#N)C2)CCOCC1 2174787476 UNTRCBCXDTWJCS-CQSZACIVSA-N 402.517 1.130 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C#N)ccc1Cl 2181083421 MZHGTWHEDAHYQQ-CHWSQXEVSA-N 415.899 1.860 30 10 HDEE CC1(C)OB(c2csc(CN3CCCN(S(C)(=O)=O)CC3)c2)OC1(C)C 2235429555 BMHJUNKKRHOJGM-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2243383845 FCXRQKAEMVSJKZ-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243418781 KZKKSXYRYSRYMB-UHFFFAOYSA-N 408.308 1.742 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2247910379 LXTWHUXRZHIHIB-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247922888 PAHDUTVBHSDKRF-UHFFFAOYSA-N 416.287 1.940 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247932109 HJJCEMAPUFJQBX-UHFFFAOYSA-N 423.319 1.273 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2247934012 WEUYYOPSMXPKIY-JYJNAYRXSA-N 420.315 1.904 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2267708595 MXQKLLZDTHECMM-UHFFFAOYSA-N 409.313 1.264 30 10 HDEE CN(CCS(=O)(=O)N(C)C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282106404 XORQMPQVIFPXQV-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNC[C@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305378 XZLABLIOSUIHGC-VXGBXAGGSA-N 404.338 1.334 30 10 HDEE COc1n[nH]c(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)n1 2282327683 LUQPIPQJJFYCGR-UHFFFAOYSA-N 400.291 1.283 30 10 HDEE CN1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCC1 2282332241 YDXOKTLLUNGOAW-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@]1(C)CO 2282348186 IKBMTCADMFCLIU-SJCJKPOMSA-N 401.359 1.686 30 10 HDEE CC1(C)CC[C@H](CO)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282422745 FVGZFVYFTPWXFA-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2C[C@@H]2CN)OC1(C)C 2282496040 VGUGXKCIXGHYHW-NEPJUHHUSA-N 400.737 1.512 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1F 2282496572 DDEXSDJBTKOGEN-QWHCGFSZSA-N 405.322 1.546 30 10 HDEE CC1(C)CC[C@H](O)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498032 XYYIYLDYPWIZTR-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282629459 WCZIVBHHGWNLPZ-NSHDSACASA-N 402.347 1.057 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282688894 AMXGXQIXFBNUAR-GOEBONIOSA-N 404.316 1.938 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCCNCC3)ccc2Cl)OC1(C)C 2282867400 YJUYNGNHUAIQRZ-UHFFFAOYSA-N 400.737 1.623 30 10 HDEE C[C@@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876014 WZQDIEIWJFZKKX-TZMCWYRMSA-N 400.375 1.689 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCCC[C@@H]2N)OC1(C)C 2282883657 DFHQCYNCKFKKRW-KBPBESRZSA-N 400.375 1.986 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC(=O)O 2284401997 FTZLSUGCHOHYJE-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC(C)(CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284402026 GGGSEVQLTHSOCE-UHFFFAOYSA-N 403.331 1.720 30 10 HDEE C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284417467 LPPYPIOPJULYKB-JTQLQIEISA-N 401.315 1.674 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC(F)(F)C[C@H]2C#N)C1 2286065359 NFLFMOJATFYMLK-NWDGAFQWSA-N 407.439 1.170 30 10 HDEE COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330971309 RBJLJUDBTARWMH-CYBMUJFWSA-N 407.408 1.891 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2C[C@H]2CC(=O)O)OC1(C)C 2360944398 RNTNKBQXMKBNSC-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE CCN[C@@H](C#CC1(OC)CCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363602281 TXNYPLXLSUUCOY-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365199169 LVDOBHMSECPJNZ-RBSFLKMASA-N 402.557 1.537 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCCN1C(=O)OC(C)(C)C 2365204024 LPXXMAHEQOHKPL-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE COC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367782676 AGBSONSSWASENY-LSDHHAIUSA-N 402.557 1.993 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccnc3N3CCOCC3)cc2C1=O 32017754 VCVWULVZJHKODW-UHFFFAOYSA-N 406.442 1.630 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 54017271 RKJHYBVVYYMMHY-MRXNPFEDSA-N 401.492 1.340 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3C(=O)c4ccccc4C3=O)cc2C1=O 54255219 ZUHRQHAVFXMNGT-UHFFFAOYSA-N 403.394 1.495 30 10 HDEE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 56017289 WVJUAPIIMSMXJZ-WMLDXEAASA-N 418.519 1.071 30 10 HDEE C=CCn1c(=O)c(N2CCN(C(=O)Cc3cccc(OC)c3)CC2)nc2cccnc21 64579081 FMVPQJSLUFXZJO-UHFFFAOYSA-N 419.485 1.877 30 10 HDEE O=S(=O)(N=C1NCN(Cc2ccc3c(c2)OCCO3)CN1)c1ccc(F)cc1 72471258 CODWBDWZKADUQR-UHFFFAOYSA-N 406.439 1.252 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)N3CCCCC3)C3(CCOCC3)C2)cc1 97138192 RWTXRATZASXUNJ-IBGZPJMESA-N 417.531 1.988 30 10 HDEE N#C[C@@H]1CNCCN1S(=O)(=O)c1cc(Br)ccc1Br 97999163 SLNKUXAZQMORBF-SECBINFHSA-N 409.103 1.698 30 10 HDEE CC(=O)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101359082 JSHANEVQVKNTMY-WTIFFKHKSA-N 410.473 1.355 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 105282984 USDKIYILGWHOET-FQEVSTJZSA-N 403.486 1.959 30 10 HDEE C=CC[C@H](CO)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 410073258 DHICABNDHCANTM-OAHLLOKOSA-N 418.519 1.209 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)n(C)n1 444530887 FRBSZXAAVFCXOV-QGZVFWFLSA-N 404.478 1.767 30 10 HDEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 460374729 MFISHWYBMHCWGW-UHFFFAOYSA-N 404.540 1.990 30 10 HDEE CC(C)(C)CN1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 461387415 KTSHTRIBFXQSEB-SFHVURJKSA-N 418.563 1.902 30 10 HDEE Cc1nc(SCC(=O)N2CCN(c3nccn(C)c3=O)CC2)c(C#N)c(C)c1C 465237063 WOYDFPFUIFEGST-UHFFFAOYSA-N 412.519 1.413 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCCO2 465425787 WDYIKCZLNGYSHV-AWEZNQCLSA-N 406.446 1.349 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(C3CCCCC3)no2)CC1 467033610 BYCCEXXDTHIPAX-OAHLLOKOSA-N 404.515 1.808 30 10 HDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)o1 480936051 QSVZNJRUWNKURR-HNNXBMFYSA-N 416.499 1.556 30 10 HDEE N#Cc1ncn(CCNC(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)n1 498157709 ROFIBKPVVLDFLL-UHFFFAOYSA-N 416.243 1.197 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 498649679 MJUMLCIENYEFIW-CQSZACIVSA-N 410.459 1.295 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)Cc1cc(C#N)ccc1F 500818278 PAUSMIFEVYNNKN-NSHDSACASA-N 409.464 1.626 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 504189902 YKODLDLLTPYNJP-AWEZNQCLSA-N 418.500 1.501 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 504634585 HBOBMIWFCGWANB-SWLSCSKDSA-N 420.470 1.722 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 515101359 OWZDJDYWZOPMDK-OAHLLOKOSA-N 417.556 1.426 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 521233852 SVHKXMBKESYLSL-HNNXBMFYSA-N 406.895 1.440 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(OCCOC)c2)CC1 522844652 FCHSAFRCDLAHAU-UHFFFAOYSA-N 406.483 1.172 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCO3)c1=O 523652196 LKCFFXRFXFZYMU-UHFFFAOYSA-N 410.495 1.963 30 10 HDEE CCOC(=O)CC[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 534071927 GMPNKZURBJLGJY-CZUORRHYSA-N 400.435 1.611 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 535408587 DSKNWAXRLFDPPP-SFHVURJKSA-N 424.482 1.837 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccc(C3(C#N)CC3)cc2)c1 539674849 NKWIIRXDIJWHRG-UHFFFAOYSA-N 412.471 1.518 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)NCc3ccc4ccccc4n3)CC2)c1C#N 550441156 UWSVTYIEJZDBRV-UHFFFAOYSA-N 417.473 1.113 30 10 HDEE C[C@H](c1ccccc1)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555583814 ICBRBPPIKZLTCW-UZLBHIALSA-N 404.470 1.995 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 571007406 KHDYBDWNEVAEIB-KBPBESRZSA-N 401.558 1.129 30 10 HDEE C[C@@H]([C@@H](N)C#N)n1cnc(I)c1I 575506523 ACQHBCUXHZGSDY-WHFBIAKZSA-N 401.977 1.504 30 10 HDEE COCCN(C(=O)CSc1cccc(Cl)c1C#N)[C@@H]1CCS(=O)(=O)C1 579383929 RETFNKDRDJQAFV-GFCCVEGCSA-N 402.925 1.966 30 10 HDEE Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)c1C 585482786 AKQYVSMWODVWBO-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OC2CCCC2)nc1C 586304335 ORAMALDPUUAWAG-MHZLTWQESA-N 414.505 1.967 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 588292449 XLQFEJQBXXMWMQ-KEYYUXOJSA-N 404.492 1.895 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCN2CCN(c3ccccc3)CC2)CC1 603817906 NIHNNWXUPOLYOO-UHFFFAOYSA-N 419.533 1.607 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)Nc2cnn(-c3ncccn3)c2)CC1 610415335 DLJKNLYTGWZGGY-UHFFFAOYSA-N 405.422 1.753 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1Cl 615486726 LQQDVAJCNQIEBN-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE CCCN[C@@H](CC#CCOC)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 725054733 VWAHBPGHWSTOJO-IRXDYDNUSA-N 402.557 1.819 30 10 HDEE Cc1ccc(C)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 727415480 QVYNQKXQHMAKAU-UHFFFAOYSA-N 405.479 1.891 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 727990134 NGXAMGRMQFTSKK-QOBDKFOYSA-N 424.548 1.749 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 732152391 ALCVCEBIIONALX-BWVAZPDUSA-N 412.475 1.303 30 10 HDEE CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCN/C(O)=C3\N=CC=CC3=O)ccc2NC1=O 746330890 ABRYCFWRNUPWQA-OXGSMWIGSA-N 412.446 1.890 30 10 HDEE C[C@H]1N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC12CCOCC2 756829807 CBRZHEYHZMHARJ-OAHLLOKOSA-N 405.520 1.923 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1Cc1ccccc1 758577674 NIFISVSZJLRASF-UHFFFAOYSA-N 413.506 1.980 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@@H](O)COC(C)C 762822715 HGMYGSHEKHURRI-HOCLYGCPSA-N 412.508 1.469 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 763581396 QYCDZPNVCKNMQZ-OALUTQOASA-N 404.461 1.881 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 763783202 QIEYSMMAYIUFCP-AEFFLSMTSA-N 418.471 1.156 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN(C)C(=O)OC(C)(C)C 766354471 WIDNUAWQBHBUIR-CYBMUJFWSA-N 411.480 1.635 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(O)c(Br)c1 766982493 IFNRCAGTVQOOQZ-CCEZHUSRSA-N 409.240 1.480 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 768007743 FWHGQHCOKSMGCX-CQSZACIVSA-N 423.472 1.710 30 10 HDEE COCCCS(=O)(=O)N1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 769843968 BKNOSPQTCGWJDP-UHFFFAOYSA-N 418.523 1.067 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 771395217 CALUMSNTRZMOLI-UJLXTZEKSA-N 404.373 1.103 30 10 HDEE CC(C)[C@H]1C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772493942 FVRMGIKGSXZWCU-IAGOWNOFSA-N 419.503 1.226 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccccc1F)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152021 FATUPJBJYGABPE-RHSMWYFYSA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 774262519 KEJZRFUENDFDSG-KSZLIROESA-N 409.939 1.917 30 10 HDEE COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC(=O)N2C2CC2)c1 776318614 CGKIBXCANFPYPH-RCZSKKKRSA-N 408.502 1.946 30 10 HDEE CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780210408 PWUIDHHTFJXNRS-IBGZPJMESA-N 415.833 1.885 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@@H]2CCOC2)C1=O 784125321 IJCXZWDYSBGHGI-WBMJQRKESA-N 405.476 1.910 30 10 HDEE N#Cc1ccc(OCCCN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 785509361 AYRWQQUXEKQDRW-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790290493 NVVVXTQWYOVAKD-KXBFYZLASA-N 415.556 1.872 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 790641730 AVONIAUJRSPDAC-QYZOEREBSA-N 414.506 1.593 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3n[nH]c(CC)n3)CC2)ccc1F 791209767 ZCSFBXUNIKSUTK-UHFFFAOYSA-N 421.498 1.990 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N\CCc1ccccn1 794442050 RLCHFNXGGKWCDG-SQRRBOBLSA-N 405.568 1.791 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)[C@H](C#N)C1 796487376 TYTWGZNCGMTUEQ-CABCVRRESA-N 405.451 1.600 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CNCN(c2ccc(Cl)cc2)C1 809886246 CNADEYQGPJYNDY-AWEZNQCLSA-N 422.942 1.808 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 814398166 RILAQJLOCXHPBD-AWEZNQCLSA-N 402.517 1.034 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1 1116567177 JRZDTFRFHUHTMR-OAHLLOKOSA-N 400.522 1.250 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3Cc4cccc(C#N)c4C3)C2=O)cc1 1130604175 NNFGPIIGTHJPNI-QFIPXVFZSA-N 404.426 1.876 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cccc(COC3CCOCC3)c2)c(=O)nc1O 1136627804 AIPAKOHZQAFVPS-UHFFFAOYSA-N 412.446 1.223 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCn1cc(C#N)c(O)nc1=O 1137788016 DVFGUWUGGLCZGF-CABCVRRESA-N 417.466 1.211 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1141592156 ZWWICRBRWXDFPS-CQSZACIVSA-N 413.455 1.655 30 10 HDEE CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1151212392 ICZOBOMYGAGOGL-GJZGRUSLSA-N 405.296 1.788 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1154695040 GXLHEAQGMPBQFQ-INIZCTEOSA-N 423.510 1.566 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1161578444 GUQZGDPMJWIXOL-IBGZPJMESA-N 406.442 1.961 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1=O 1165302749 CHIQRNDBBOGCMB-INIZCTEOSA-N 420.510 1.581 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1209371515 QYRVONHHYRIRQE-UHFFFAOYSA-N 412.446 1.933 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1233928993 WKHBVZUVXFEBFP-QGZVFWFLSA-N 402.495 1.389 30 10 HDEE CN(C)[C@@H](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1248376390 XRHVQEWLYYKAIN-CVEARBPZSA-N 411.428 1.841 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1286299785 YVDOMDRLLWMXFX-MRXNPFEDSA-N 422.537 1.436 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1286378901 ZXJQGRRMUSWMQB-OAHLLOKOSA-N 402.524 1.060 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1286440359 VXVVUSAJOODNEE-AWEZNQCLSA-N 402.476 1.568 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1286786552 GRSHBRMMYRJLBE-CQSZACIVSA-N 410.400 1.718 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C2CCCC2)CC1 1286788476 XGYNQICCTVIASJ-GOSISDBHSA-N 416.570 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286816476 LSXFQBOMULERTP-CVEARBPZSA-N 424.523 1.687 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1291594597 COJFDNPXUBCDCH-INIZCTEOSA-N 402.476 1.582 30 10 HDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1297489517 MZSPSXGJHUEOER-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)c1 1297645026 CLVDHXSVVLDHIE-KRWDZBQOSA-N 415.515 1.268 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1300428595 JPXMJHDRDZRMDP-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1300483297 JGLVXRLGCAPCBR-QGZVFWFLSA-N 416.551 1.925 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1 1300508922 BITYWGKJZJDOPP-HNNXBMFYSA-N 403.483 1.343 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)O 1300663581 FLKOVWHMPNTUKC-UHFFFAOYSA-N 420.539 1.095 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1(=O)=O 1300663716 DJMCLARDUGKHKA-INIZCTEOSA-N 405.524 1.337 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1301137422 QUDRHUQWQRFQLB-UHFFFAOYSA-N 419.574 1.229 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1301553504 MYXLQOULWMFCIE-JKSUJKDBSA-N 405.524 1.879 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1301596027 FRTTXDGSRUMBEU-CABCVRRESA-N 406.556 1.583 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)C1 1302436268 DQYDGCROUZRLDT-YYTGVUGMSA-N 413.522 1.972 30 10 HDEE CSC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1302634737 OQGGKHJCCOWHJR-HNAYVOBHSA-N 407.540 1.943 30 10 HDEE CC(C)(C#N)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1302898270 UOKPGROQLJBCJU-ZNMIVQPWSA-N 406.483 1.967 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1302908138 PLMIVPOAYHKKGH-UHFFFAOYSA-N 419.436 1.393 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1303011999 YKUKWVKTCSBINN-KRWDZBQOSA-N 422.493 1.382 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1303065977 QPRIPMCVWSOQHU-OXJNMPFZSA-N 404.515 1.801 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCOC(F)(F)F 1303807442 OQBZJSSXZPZEJV-QWRGUYRKSA-N 412.438 1.553 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1312896629 JVSCVHWFVOPDGT-JSGCOSHPSA-N 413.462 1.575 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1313190134 GFCYJHSSVUFCPR-IBGZPJMESA-N 412.515 1.954 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1313966637 FYFYNTVHGLKZPS-QGZVFWFLSA-N 424.505 1.978 30 10 HDEE CCOCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1314482119 YMZCTMXYMSEBHU-OAHLLOKOSA-N 417.466 1.736 30 10 HDEE COC[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315780983 NWVOMDDPHDGQCB-LRDDRELGSA-N 411.466 1.047 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CC1 1316538826 SHJVZIDARGJMRX-AWEZNQCLSA-N 414.432 1.981 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 1330360553 ZNKCIJSGUCJKOZ-ZCXUNETKSA-N 422.438 1.221 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c(F)c1 1358393560 GGBQEHWXRGZZOD-UHFFFAOYSA-N 413.434 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1358884694 UZYHSYWIYVPBHF-KRWDZBQOSA-N 419.489 1.448 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1358910885 DNHWGOGHAHYKGK-SJORKVTESA-N 400.527 1.774 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358931785 NLVSCMNFYWEJEV-UHFFFAOYSA-N 416.551 1.538 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1359007372 HJOFCURFAFXDQK-JOCHJYFZSA-N 422.489 1.457 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359048132 GFXWXXXLIXQLMI-RDJZCZTQSA-N 403.552 1.884 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1359121865 LWUVGSXXXFDWNP-KGLIPLIRSA-N 419.498 1.669 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1359281748 IPBYUDUVLFFZPF-MRXNPFEDSA-N 408.528 1.024 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC)C1 1359320855 WMJQJFXUWDGJEY-IAGOWNOFSA-N 412.494 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1C(C)(C)C 1359335865 XFSGMBITYPYIBP-MRXNPFEDSA-N 411.572 1.481 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCCCC1 1360680362 AFDSSAXWXDMHMB-CZUORRHYSA-N 414.507 1.025 30 10 HDEE CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 1441397056 TUTPNBMEHWGFQQ-QGZVFWFLSA-N 403.504 1.132 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)s1 1449261887 GFGIYUZYVCVDPE-ZYHUDNBSSA-N 412.455 1.933 30 10 HDEE CC(C)(C)OC(=O)C1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1452160017 IYQMQUDCPZYSMV-WUKNDPDISA-N 407.467 1.158 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@]23CCCC[C@@]2(CN(C)C3)C1 1457326040 NPCUNLVQETWPMW-ORYQWCPZSA-N 416.547 1.559 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1460602290 HEKDGYBPGQPLNL-GOSISDBHSA-N 411.543 1.752 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)cc(N3C[C@H](C)O[C@H](C)C3)c2)C1=O 1461289445 WAKPPGZDFDGLIC-BETUJISGSA-N 418.425 1.355 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 1464110305 JCALHAPROMXMNC-KRWDZBQOSA-N 410.923 1.735 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)n[nH]2)c1C 1465531124 NEIWZTOWYREELG-SGTLLEGYSA-N 422.493 1.733 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 1468714561 CYLKWXZYPXBVHJ-HNNXBMFYSA-N 409.412 1.989 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2=O)cc1 1470033981 VDMHKEKYOYLRBW-IBGZPJMESA-N 424.505 1.106 30 10 HDEE Cc1cncc(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1470178016 RJBIEEJEKJDOEN-UHFFFAOYSA-N 415.519 1.743 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1471409116 ARUKSTXFKMBXRD-LJQANCHMSA-N 408.458 1.907 30 10 HDEE CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370030 APWVVNRUWWOOJW-UHFFFAOYSA-N 406.402 1.102 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC3CN(C)C3)nnc12 1472596363 MQRJUALQPFWGHY-UHFFFAOYSA-N 412.519 1.342 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O 1473097685 LCLMIUHZGVQYAH-JTQLQIEISA-N 414.281 1.602 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1479508144 DYPSJAXTKJRNEH-HUUCEWRRSA-N 410.434 1.634 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CCO1 1503770163 CUOXAXJGUURTLT-IBGZPJMESA-N 417.473 1.406 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1504387208 GXLACZYAQRIHGU-OAHLLOKOSA-N 419.445 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CC1 1507705854 HLSCVQIKFNKAHR-UHFFFAOYSA-N 417.535 1.691 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507836605 RSHWLNIMZKTBSJ-QXAKKESOSA-N 402.543 1.695 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1507846640 SAUWLZGKPNTNDT-UHFFFAOYSA-N 422.537 1.917 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCc2ccco2)CC1 1507885428 ZYDJFPJZSJEUGU-HNNXBMFYSA-N 419.507 1.246 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507928843 JNJUCRYZARGSGA-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1507942192 BWIYBVLGDNOZRB-CABCVRRESA-N 412.560 1.350 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1508010105 KWNKHXDYYDBLIC-PXNSSMCTSA-N 424.567 1.932 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2nccnc2C)CC1 1508078599 DTSINYLHDUGKGK-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(COC)CC1 1508092430 PRPMTSQYKYUJPZ-UHFFFAOYSA-N 415.542 1.695 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1512470864 CBOOASHJJAFPPY-FZFLATATSA-N 423.477 1.015 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1513056854 BTHHPRIVDJZYCK-IEBWSBKVSA-N 403.575 1.794 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](CC(C)C)N(C)C 1513406485 BNQDJGSJRVXJDQ-ZWKOTPCHSA-N 419.574 1.902 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCS1 1514137342 FTIJPVBJSMYSBJ-MRXNPFEDSA-N 420.564 1.698 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)C#N)CC1 1515897600 IANJKPKCVCGESO-RTBURBONSA-N 410.570 1.886 30 10 HDEE N#CC1(CC(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCOCC1 1518838779 SOILVMXKYKSGOX-UHFFFAOYSA-N 400.479 1.398 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1519432861 UJOFBYPYTWUQJK-QUJKESNLSA-N 419.526 1.672 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOCc2ccccc2)CCO1 1521122018 RRKOMDIAVPHCDS-GOSISDBHSA-N 410.478 1.460 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1526235717 MQBIWQXJWFAHBU-KSZLIROESA-N 402.491 1.945 30 10 HDEE C=CCn1cc(C(=O)N2Cc3cccc(Br)c3C[C@@H]2C(=O)OC)nn1 1527231076 JIYYYUCORRMCTJ-OAHLLOKOSA-N 405.252 1.967 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Oc2cccc(OCC#N)c2)C1=O 1528284049 ULIKPGYGSWNIKF-NRFANRHFSA-N 409.398 1.970 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@H](C)COC 1532291048 PSZSPZICNHYOCU-GOSISDBHSA-N 409.552 1.496 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 1534443528 BAZVQSKUOSHNHZ-GWCFXTLKSA-N 405.398 1.341 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539231281 QPIPOSPLZKQRRU-CYBMUJFWSA-N 408.446 1.784 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1539369319 JMPRGLOITQKTLK-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cccs2)CC1 1539446343 WXTPIASVDGMOKM-HXUWFJFHSA-N 409.519 1.460 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2CCOCC2)CC1 1539477733 WZMMDRIOIZOHSQ-UHFFFAOYSA-N 423.521 1.518 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539688918 WGTGINGFKUNCHD-QAPCUYQASA-N 419.551 1.979 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc(OC)cc2)CC1)C(=O)OC(C)(C)C 1540765784 RDNDWZYJLCCCLW-UHFFFAOYSA-N 415.490 1.850 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540905801 WCQRFSUMFQHEMR-UHFFFAOYSA-N 412.560 1.025 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)Cc1ccc(OC)cc1)c1cc[nH]n1 1542719131 XMYUWITUOUNNNN-CQSZACIVSA-N 402.451 1.792 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1555683337 XYMKVEKTDLIVHU-LPHOPBHVSA-N 423.489 1.436 30 10 HDEE CN(C)C(=O)O[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556709006 LSJPUWJAMUTGES-CVEARBPZSA-N 413.434 1.062 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1563782151 ZBKRWSWGPNDYIR-QZTJIDSGSA-N 405.520 1.841 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1564675153 LSOPBLBMGIWINP-WMLDXEAASA-N 420.514 1.850 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@@H](CO)[C@H](C(F)(F)F)C3)C2=O)cc1 1564689657 JEJJRYNDQFHISV-ARFHVFGLSA-N 410.396 1.471 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1565333070 SUKBJKPKIVNHKH-UHFFFAOYSA-N 413.478 1.934 30 10 HDEE O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc2c(c1)OCCO2)[C@H]1CCCO1 1565534763 DSVUHVPGLNEDBD-YHMLLDFISA-N 424.500 1.238 30 10 HDEE CO[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)s1 1565630235 VMVPTOZDPPGOSV-REQDGWNSSA-N 414.281 1.841 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](COC2CCC2)C(=O)OC)c1 1566401312 DTMGHJPDENLYAA-QGZVFWFLSA-N 410.492 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)c3cccc(C#CCO)c3)O2)C1 1584915246 LYMZYXRWQXJCFY-SFHVURJKSA-N 400.475 1.929 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1585081749 ZAAADIAXCRQZOB-LLVKDONJSA-N 410.393 1.642 30 10 HDEE C#CCN(C(=O)[C@@H]1CCO[C@H]1CC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585675496 UXHHSASYKWLDSQ-MIDILNBFSA-N 400.519 1.678 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1586805667 PBYMJSJXCKYMDC-UHFFFAOYSA-N 422.413 1.392 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)c1 1587337959 NOOJPOBVHGDARD-UHFFFAOYSA-N 417.462 1.787 30 10 HDEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1587890672 OXTFDAHNOFXJJJ-YOEHRIQHSA-N 407.492 1.629 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)Cc1ccc(OCC#N)cc1 1587893002 YZSFHPDUXUCCNO-UHFFFAOYSA-N 411.414 1.682 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1589580219 NGQQWOTUSABXRM-HKUYNNGSSA-N 418.586 1.767 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1593746347 BSHVJCPFIFHVHE-CVEARBPZSA-N 412.556 1.777 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1594567902 STGVUHYRWHWWQP-CQSZACIVSA-N 420.539 1.908 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1598567302 IMARYIFEUILMDC-JCKWVBRZSA-N 406.485 1.105 30 10 HDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1613665608 FDDHMQVVLALFDV-KRWDZBQOSA-N 409.494 1.582 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1614470816 VCBHSDQWUKYQIO-QFBILLFUSA-N 424.571 1.931 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1615912742 FWEVWIRHXJOONS-KBPBESRZSA-N 410.544 1.081 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1618324255 XXUIZDKEPZZAOW-ROUUACIJSA-N 421.475 1.293 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1c(C#N)cccc1[N+](=O)[O-] 1620428168 BHKMTRRPOTVZES-IBGZPJMESA-N 406.439 1.554 30 10 HDEE Cc1cnc2c(cnn2CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1624067198 IEQWJPDXLORLHK-UHFFFAOYSA-N 424.486 1.145 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 1625188101 JZPALKUXEGTGEV-QGZVFWFLSA-N 401.529 1.615 30 10 HDEE CN1CCN(C(=O)N2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 1627214175 DJWUJGWPVCXAEE-FQEVSTJZSA-N 410.522 1.039 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCNC(=O)c3ccc(O)cc3)n[nH]2)c1C 1630331699 QGHCFIDJPIWEBX-UHFFFAOYSA-N 408.462 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc3n2CCCC3)s1 1631352224 IIJHTKPIASHVSH-UHFFFAOYSA-N 409.537 1.042 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1633122046 NDDLXOBMGQDNML-UHFFFAOYSA-N 411.455 1.720 30 10 HDEE CNC(=O)CC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 1633686455 DXUMJLIGVVZMQS-OAHLLOKOSA-N 420.535 1.428 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1634686696 AFLQDMRXUMIPRY-TZIWHRDSSA-N 422.485 1.913 30 10 HDEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)NCc2ccc(C(=O)NO)cc2)c2ccccc21 1635200667 KEJPPOWPVNQZGF-JOCHJYFZSA-N 411.458 1.497 30 10 HDEE O=C(CN1C(=O)CCC1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464151 UQZIUJJNYBRVFW-RNFRBKRXSA-N 408.245 1.765 30 10 HDEE CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)co1 1637512680 BFFFCAZFLBIQKN-PLNGDYQASA-N 412.402 1.466 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncc(Br)s1 1637913807 OFFGIIFZRBRDFR-JTQLQIEISA-N 422.312 1.988 30 10 HDEE COc1cc2c(cc1OC)C1(CCC1)N(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1638480864 JYIDBDCLQPHQTP-UHFFFAOYSA-N 410.430 1.302 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1cccnc1)C(=O)OC(C)(C)C 1643499260 PPPKPXXUWKBKAA-SJORKVTESA-N 405.451 1.033 30 10 HDEE C#CC1(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CCCC1 1643516590 NLGITPAJLUTROE-UHFFFAOYSA-N 402.520 1.818 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CCO 1646010667 BEYODXHVNRPFQQ-QWHCGFSZSA-N 410.920 1.030 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1649040535 GWXFVNSWCVSDQK-UHFFFAOYSA-N 416.455 1.998 30 10 HDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)CC(=O)NCc1ccc(C#N)cc1 1655105404 NXVCEFAKELSZRS-UHFFFAOYSA-N 404.511 1.990 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(c2nc(C)cc(O)n2)CC1 1655610770 JVCSPZQTKLWYJN-QGZVFWFLSA-N 424.505 1.957 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1655770887 SABXLSQSOLOJTG-QEEYODRMSA-N 416.503 1.011 30 10 HDEE C=C(C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1655946725 CADKMZBJBUQNFS-NWDGAFQWSA-N 414.446 1.746 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCC(CO)(CO)C1)CCCC2 1659417041 DFBIMCSBFNDDAL-INIZCTEOSA-N 416.522 1.033 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@H](CS(C)(=O)=O)C2)c1 1660393282 QUEGEXLYCLLFGO-IEBWSBKVSA-N 407.536 1.684 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1C 1660902897 WLGFHLJCAIIPQO-NSHDSACASA-N 424.313 1.708 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C)C(=O)OC 1663617559 JNYSYWGGCDNTIC-ZDUSSCGKSA-N 405.856 1.458 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1664651327 CWLYVUYTQMLLLU-UHFFFAOYSA-N 407.261 1.348 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)OCC 1670885820 CXZMAMOJZZSTTM-CQSZACIVSA-N 403.888 1.603 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 1671881003 ZQRPVRHWXUACEK-TUNPWDSISA-N 413.522 1.884 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1672951577 AFXGUAHBGHYVPY-MSOLQXFVSA-N 403.479 1.868 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCOCC2)C1 1676035690 VBDDSYKALYGZRU-QGZVFWFLSA-N 408.543 1.799 30 10 HDEE C#CC1(O)CN(C(=O)N[C@@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 1682192903 HSUIDJVWSDXIID-OAHLLOKOSA-N 420.307 1.951 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1ccc(Br)cc1 1683507673 GLVCYPQSXPQXDX-OAHLLOKOSA-N 407.312 1.715 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)NCC1(C#N)CCOCC1 1685657144 MPTGLCRGPUYDRA-UHFFFAOYSA-N 409.508 1.821 30 10 HDEE COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1687010482 VGHTWLCAIDQKDU-KRWDZBQOSA-N 420.473 1.599 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 1687097423 GUFXRHASTHBWHZ-DLBZAZTESA-N 406.527 1.552 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689884299 QAHGNNKRXLJYKX-LJQANCHMSA-N 408.506 1.971 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689986326 NHRCGPJQTQXNRM-INIZCTEOSA-N 417.535 1.215 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689998528 ONYULPXHYGLRNO-GPMSIDNRSA-N 410.540 1.163 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690244126 UAKDLSJIYLNDRB-BQFCYCMXSA-N 417.535 1.945 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1690262713 KRDJZILQKFRYOI-CQSZACIVSA-N 421.523 1.843 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1690309925 NWBXBEWRPRTOQG-KRWDZBQOSA-N 400.483 1.192 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1690310057 RTJRYBTVKZBYFI-INIZCTEOSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1690676001 MRTDEORFDCBTER-UHFFFAOYSA-N 420.477 1.401 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccco2)C1 1690699868 KHSVJJIVTGXHAP-HZPDHXFCSA-N 401.467 1.586 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1690733589 ISTFOYNMZSLHIL-KRWDZBQOSA-N 422.599 1.637 30 10 HDEE Cc1cccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1693192976 ACWLNFSZPUXCHF-CZIZESTLSA-N 423.477 1.402 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H](C)O1 1697894251 OCVYRAJEWNQCSM-LPHOPBHVSA-N 415.494 1.456 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705559430 AOGDUIQDXWUPCI-GJZGRUSLSA-N 409.556 1.191 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc2c1OCCCO2 1705625921 BNUGRLROFVBLPN-UHFFFAOYSA-N 422.489 1.974 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC2CC2)CC1 1705634458 WUHPDVMSJWDEQV-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1705640060 CQJHYRRWEPGWEK-IBGZPJMESA-N 415.925 1.693 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705701343 BAYRQHYRFASKFC-MTNOOBJLSA-N 414.510 1.956 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705806195 YOFGOKLPQQLLJD-RBSFLKMASA-N 410.496 1.651 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705816771 RTBYGSYCFJZXLV-INIZCTEOSA-N 419.555 1.809 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1705834302 ICQGXAOYLXAKAL-CQSZACIVSA-N 416.511 1.140 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC)C1CC1 1705854217 IYADCELWDPXWTI-LSDHHAIUSA-N 409.556 1.640 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1705894795 LSXWZYQCQWKZAN-UHFFFAOYSA-N 412.494 1.372 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC1(C)C 1705898149 BZKNLSNIDKNNFD-UHFFFAOYSA-N 407.482 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705899591 YXANWYNLMWNNHU-CJNGLKHVSA-N 414.441 1.321 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1706657212 FPBSTMSLLPLTCB-YOEHRIQHSA-N 414.507 1.289 30 10 HDEE CCOCc1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710696756 CUIWZCIXUXGYRD-ZCXUNETKSA-N 400.483 1.721 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1710897493 CVTZPIGTDVNFGQ-PIIMJCKOSA-N 414.535 1.991 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1712398517 MUZBRIGTDYILHQ-UHFFFAOYSA-N 412.494 1.857 30 10 HDEE CS(=O)(=O)CCCCCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712696594 GOOFMNYUJNBOBE-SFHVURJKSA-N 420.583 1.622 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722431277 IYTUQOXHOCQFAP-UXHICEINSA-N 402.587 1.904 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC[C@@H](C)C2)CC1 1722439598 ILBBWYBBAGSRDK-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCCCO)CC1 1722446086 MFNHCMWHHRBGDH-UHFFFAOYSA-N 411.510 1.254 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1722451343 JBSGRBJJWUINHA-UONOGXRCSA-N 415.585 1.258 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1 1722455446 NNHKCMWFVXYTOX-UHFFFAOYSA-N 408.535 1.767 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722483991 GPCQBQRIGWUHKO-ZDUSSCGKSA-N 418.361 1.753 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(C)(=O)=O 1722505207 IZPNKBODQIBWOX-GOEBONIOSA-N 408.528 1.141 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)(C)C)C1 1722702299 HJZGEBOHODDBLP-BQFCYCMXSA-N 421.542 1.556 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cccc(O)c2)CC1 1722706451 SGPPZYVOIPJANN-UHFFFAOYSA-N 400.483 1.149 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1723779356 IBMCENPVLHNWAY-CQSZACIVSA-N 410.457 1.957 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1729160630 BSRYXWSSICJKCB-IAGOWNOFSA-N 413.434 1.879 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1731158116 HSWURAOCEHUQKM-VDMFXUGISA-N 400.483 1.686 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1740565603 YBUYCMQWXCBKQL-UHFFFAOYSA-N 400.527 1.670 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1740567872 WZCSHNVFPDSELO-QZTJIDSGSA-N 422.599 1.756 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740628173 OGKIZOYTKIECHS-QZTJIDSGSA-N 423.583 1.316 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1740686843 XICGNSKPJLYKBJ-XYJFISCASA-N 424.567 1.470 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740787105 AJAIFKSNRIVURW-HZPDHXFCSA-N 404.515 1.857 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740885311 DECHGPBMTFAYEG-HUUCEWRRSA-N 417.470 1.091 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1740901751 JIIAKGIYZBPTAC-UHFFFAOYSA-N 411.553 1.847 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740954767 GKEXVFALDKPMQK-MSOLQXFVSA-N 419.489 1.366 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCOC2)C1 1740978557 XSBMZKCWSJDCHM-IERDGZPVSA-N 400.479 1.886 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(N(C)C)c1 1741904066 HRORSAHDCFDPDC-HUUCEWRRSA-N 419.555 1.741 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(C)=O 1744066459 TYTAUNRFTAPTAR-FQEVSTJZSA-N 403.531 1.853 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)c1nccs1 1748731937 OTWFDWSROPNYRL-ZIAGYGMSSA-N 410.569 1.998 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1748773459 XKYFNWAWBWGRKB-AWEZNQCLSA-N 419.507 1.167 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748926253 ROGXMVSMWMJRRK-GOSISDBHSA-N 411.506 1.757 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)c2ccco2)CC1 1748994631 LAXCOVBHUZIJMA-QFIPXVFZSA-N 423.521 1.396 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cnn(CC)c2)CC1 1749009636 DMTQHXZOPBNKJY-UHFFFAOYSA-N 418.505 1.571 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749032328 CPNFJZOPECCPNK-HNAYVOBHSA-N 402.524 1.429 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1749064810 KTTGGSSIAQIRGS-HRAATJIYSA-N 400.527 1.332 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749232537 OEPWIYOVHHPBBI-LJQANCHMSA-N 414.510 1.198 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CCOC)C(=O)C1 1749249328 BTGFUJDHFANYCQ-UHFFFAOYSA-N 412.922 1.244 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749666564 MVCVCDWMKOEXRN-KRWDZBQOSA-N 423.521 1.542 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1749762029 MKKPKKOKYPPBLD-UHFFFAOYSA-N 422.580 1.265 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760137914 YZQZLQCIOQERSR-KXBFYZLASA-N 405.524 1.048 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1[C@@H]1C[C@H]1CF 1760247835 QVYHXLYNJAFQRT-WMLDXEAASA-N 410.453 1.809 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1760279929 BNFCFPZSRBCGBV-QGZVFWFLSA-N 413.551 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCOCC1 1760290686 NAHWZXWUYPMWEH-TZIWHRDSSA-N 404.511 1.464 30 10 HDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760349352 ITCHPHAHGJCBBL-FQEVSTJZSA-N 415.498 1.093 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760521065 ITBJUCIOVXHIBZ-WBVHZDCISA-N 418.542 1.215 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)cs1 1762263425 VLXGQEFTRRXKFE-GFCCVEGCSA-N 410.507 1.772 30 10 HDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1766567338 URARWLLFYJVFJK-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O 1771201336 YKDZWHGCRBECFJ-MAUKXSAKSA-N 413.544 1.567 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]nc1C 1771223313 UJTVCCUYMWKRRI-RDJZCZTQSA-N 403.487 1.395 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850297476 AQFKZPANXWDRPE-INIZCTEOSA-N 401.891 1.313 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(c2ccc(-c3nc(C)no3)cn2)C1)[C@H]1CCN(C)C1=O 1850971429 CKPRKIGUWBFBPU-ROUUACIJSA-N 424.505 1.902 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1851537350 JDGBKKVMMRMQRQ-MRXNPFEDSA-N 416.613 1.389 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)n1 1852396879 IYDPCALAVLBOFX-MJGOQNOKSA-N 418.453 1.739 30 10 HDEE COCCN1C[C@H](C(=O)Nc2c(-c3ccccc3)cnc3c(C#N)cnn23)CC1=O 1852621175 WGDWQQAODOKNOH-OAHLLOKOSA-N 404.430 1.701 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2)CC1 1853688623 YXPBQURVRPQGIA-MSOLQXFVSA-N 409.490 1.578 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1=O 1853804117 BSCLMKSCDROVDI-OALUTQOASA-N 407.474 1.480 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1F 1853828835 OYVTYUCCRMUKJP-UHFFFAOYSA-N 417.418 1.379 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3O2)CCN1CC(=O)c1ccc(C#N)cc1 1855146526 KGYCOBSKIIHDLX-YCRPNKLZSA-N 403.438 1.804 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4C5CCC4CC5)ccc32)ccn1 1856096803 SUCCUQIVJODYCT-UHFFFAOYSA-N 422.466 1.998 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nc3ncccc3cc2Br)CCN1CCC#N 1856187463 GSGUZQXIXYYUCR-LLVKDONJSA-N 402.252 1.979 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@H](C)CCC#N)[C@@H](C)C2=O)cc1 1856281974 FEDIBKDOCZIIDP-CVEARBPZSA-N 421.519 1.611 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3cnn(C(F)F)c3)C2)C1 1856384471 LEXWLLSFHCOWTB-GFCCVEGCSA-N 416.388 1.297 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)COc2ccc(F)cc2)c2ccccc21 1856920526 LMSCSBWHXRVTBR-UHFFFAOYSA-N 417.418 1.828 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C3CCC(F)(F)CC3)C2)CC1 1857066435 MRBMDPVREPLVDI-OAHLLOKOSA-N 417.478 1.752 30 10 HDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857143052 BFCMBHHIRHDDBV-WMZOPIPTSA-N 402.470 1.642 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857279127 DJXYVJZINDGYOB-GOSISDBHSA-N 403.504 1.386 30 10 HDEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCNC(C)=O)C2=O)cc1 1863329796 KQSKCGJCNJQBQW-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCCn2nc(C(F)(F)F)ccc2=O)cs1 1889422656 LIMAPLCSIMYLQE-UHFFFAOYSA-N 401.370 1.064 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891702945 RCOUNENRYAUCQA-SJORKVTESA-N 406.508 1.385 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNCc1occc1B1OC(C)(C)C(C)(C)O1 1985187247 XBZLAGBNKYMODS-FQEVSTJZSA-N 410.320 1.944 30 10 HDEE C=CCN1C(=O)C(=Cc2c(N(C)CCO)nc3ccccn3c2=O)SC1=S 2040470144 HOOXBHDGFMWNEG-UHFFFAOYSA-N 402.501 1.510 30 10 HDEE C#CCN(CC(C)(C)C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2180085355 DKYYKJVFANLDFX-OAHLLOKOSA-N 400.541 1.919 30 10 HDEE C#CCOCCOCCN=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2189927899 JCLYMJITLRLJGJ-MHZLTWQESA-N 403.545 1.608 30 10 HDEE CCCS(=O)(=O)NC1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2235426523 CBCGYAQNWWFIPZ-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC2)n1 2247921238 LPAOVGKBCAFAQU-UHFFFAOYSA-N 411.315 1.072 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248416086 LUGURZQBGGREMV-ZDUSSCGKSA-N 421.303 1.859 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(C)(C)C 2258156353 IBBUZYWMQFHRIT-CVEARBPZSA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCONC3)cc2Cl)OC1(C)C 2267705253 WYCPFKDTJHSRKM-VIFPVBQESA-N 408.738 1.273 30 10 HDEE CCN[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709859 JFVHIMXBFITVLK-JTQLQIEISA-N 408.782 1.977 30 10 HDEE CCN(CC(=O)NC)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304540 LQHMPVWYRCNLEW-UHFFFAOYSA-N 422.765 1.457 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](O)C1CCC1 2282314699 DFOGEUHPYUIZHP-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE C[C@@H]1C[C@H](O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282339995 ZWJDXLDSBPPEDK-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CO[C@H]1C[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282501253 UZQRPSZPUZLICV-HAQNSBGRSA-N 402.347 1.287 30 10 HDEE C[C@H](O)CN(C1CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510460 YTZVUNLOGQMKKY-NSHDSACASA-N 402.347 1.117 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642858 SPXRDKWXPZSUEO-UHFFFAOYSA-N 422.765 1.370 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282688896 AMXGXQIXFBNUAR-ZBFHGGJFSA-N 404.316 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC[C@H]3CCCN3)s2)OC1(C)C 2282854742 VMCSPYYUGCYGGD-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccc(Cl)o1 2282855465 FDWFVEUDULOIFG-UHFFFAOYSA-N 401.681 1.444 30 10 HDEE C[C@@H]1CC[C@H](CN)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856504 UCOMLFKPPHVZPJ-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282882427 LHMSAGFFACTDDX-CQSZACIVSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)O)OC1(C)C 2284406776 CGMBQVPYVBEBGB-CMPLNLGQSA-N 401.315 1.579 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288894555 JJGOMBFOEZZEKC-ZIAGYGMSSA-N 401.359 1.722 30 10 HDEE C#CCCN(CC(=O)O)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314866302 SOXSLMDHZSQDTD-UHFFFAOYSA-N 406.460 1.049 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(O)c1 2330718505 QGAGJGNWGMLNRX-UHFFFAOYSA-N 420.495 1.168 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(-n2nc([N+](=O)[O-])nc2Br)n1 2337058719 MNDFBGJGABYEIR-UHFFFAOYSA-N 410.037 1.941 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CC)CCNC(=O)OC(C)(C)C 2365210636 ZIDSQBUQRLWNPE-HNAYVOBHSA-N 404.573 1.847 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@@H]1C(C)(C)C 2367808696 FVURBGFUIJSNLB-CKFHNAJUSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367815044 CUZOHPKHWMFKMX-HOTGVXAUSA-N 400.541 1.292 30 10 HDEE CC(=O)/C(=N\Nc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O)C(=O)Nc1ccccc1 100221074 YFJJHUIOWQORSS-XMHGGMMESA-N 422.375 1.543 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccco1 102722552 OCVDXPMLTXNSPI-CFBLSMTOSA-N 402.359 1.618 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CCO)[C@H]2CCO[C@@H]2C)c(C#N)cn1CCOC 432415503 CTFCFOGOZMAURZ-HIFRSBDPSA-N 408.455 1.186 30 10 HDEE N#Cc1cnc2c(Br)cccc2c1N1CCN2C(=O)C(=O)NC[C@@H]2C1 440658314 ZDGXLDLTCIMRMD-LLVKDONJSA-N 400.236 1.016 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccc(N3CCOCC3)n2)cn1 481377847 UGAIWKXXYPOLDZ-UHFFFAOYSA-N 404.434 1.692 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 483099854 FKGCDQBDZDITEW-LSDHHAIUSA-N 424.486 1.683 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(OC)cc1OC 489650829 SZTXLZNYOYFPJB-QGZVFWFLSA-N 408.407 1.907 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)COc2ccccc2OC)CC1 490996823 NYLCGXGNSPRJHO-QGZVFWFLSA-N 404.511 1.340 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502024271 QHXKALKYHPIXFZ-PMACEKPBSA-N 424.526 1.744 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)c1 504740494 HMKMINNXFIAASI-UHFFFAOYSA-N 424.482 1.721 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 507901230 HJSDIUBPNCKYMG-KRWDZBQOSA-N 411.443 1.837 30 10 HDEE N#Cc1ccc(OC2CCC(NS(=O)(=O)C3CCS(=O)(=O)CC3)CC2)nc1 507918591 DGVSJSQQFJPSMG-UHFFFAOYSA-N 413.521 1.140 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 508919662 RQQPXMICNOUZDR-INIZCTEOSA-N 409.556 1.958 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 540745925 JHLDJCGNDQCSSM-UHFFFAOYSA-N 414.487 1.993 30 10 HDEE Cc1ccc(-n2cnnn2)cc1NC(=O)[C@H](C#N)Cn1nc(C(F)(F)F)cc1O 542187499 YEQCGPSDOSLZSX-SNVBAGLBSA-N 406.328 1.670 30 10 HDEE N[C@](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)(c1cccc(F)c1)C(F)(F)F 554644549 QVHIGHYCLQPQJY-AWEZNQCLSA-N 401.282 1.775 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 566691776 NXEPJDPOFIIAPN-KRWDZBQOSA-N 401.467 1.490 30 10 HDEE CN(C[C@@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1)S(C)(=O)=O 566754726 HLRCWUKXLYEZPT-KBXCAEBGSA-N 401.529 1.378 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)CC(=O)Nc1cc(OC)cc(OC)c1 573845392 KIOHAEDDJZZJAL-KRWDZBQOSA-N 417.466 1.644 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)nc1 578551338 ICWMYGKEJIRBFX-SFHVURJKSA-N 416.547 1.842 30 10 HDEE Cc1c(NC(=O)CNC(=O)c2ccc(C#N)cc2)cccc1N1C(=O)N[C@@H](C)C1=O 578614424 YZXSBRMXKSODFP-ZDUSSCGKSA-N 405.414 1.680 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCOc2cccc(C(F)(F)F)n2)c(F)c1 586858580 BXBDQYBUJOJFGU-UHFFFAOYSA-N 410.327 1.923 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586863727 YXHATDZQBVMGSJ-RHSMWYFYSA-N 402.470 1.857 30 10 HDEE CCN1CC[C@H]2OCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)[C@H]2C1 590190674 VMGWPAMYSOIXOD-CEXWTWQISA-N 417.579 1.252 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)c(F)c1 609255991 QMXBYCKNXSAOJO-UHFFFAOYSA-N 410.449 1.827 30 10 HDEE CCOC(=O)c1sc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)nc1C 610568500 RGQRNNLYSHBBDG-UHFFFAOYSA-N 414.491 1.927 30 10 HDEE Cc1nc(I)c(I)n1C[C@H](N)C#N 725537983 WDLREZLQKWFQEP-RXMQYKEDSA-N 401.977 1.252 30 10 HDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 727415469 QPDSRFUMNWHRGV-KRWDZBQOSA-N 421.478 1.824 30 10 HDEE C#CCN(C(=O)CCc1nc(O)c2c(C)c(C)sc2n1)[C@@H]1CCS(=O)(=O)C1 729335837 VNLZBBHACGNXBR-CYBMUJFWSA-N 407.517 1.595 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(Cc3ccccc3)n2)c1 731700694 LKYSLLOBVRPIEA-UHFFFAOYSA-N 411.439 1.929 30 10 HDEE COc1cccc([C@@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)N2CCCC2)c1 733886067 GHAIHMAHCSAYAF-UGNPLGLKSA-N 412.490 1.865 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)nc2)cc1 734601659 JBIVEGMVPQRSPN-ZDUSSCGKSA-N 416.459 1.824 30 10 HDEE CC[S@@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741421935 RYECOGHHUQLDLG-DQJRMYJUSA-N 400.526 1.390 30 10 HDEE C#CCCN1CCC(NC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749400464 PDXNSKYBYUKGBP-UHFFFAOYSA-N 403.284 1.642 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cn1 751922630 DPVVSXOMCTUPDK-GFCCVEGCSA-N 402.471 1.168 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)NC)CC2)cc1OC 754355841 LNZOTDUDLFAWHF-UHFFFAOYSA-N 406.483 1.708 30 10 HDEE CC(C)OC[C@H](O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 762839455 BGLHKCNVPHZHSU-KRWDZBQOSA-N 410.492 1.288 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1C[C@@H]1CCCO1 762990440 NXPSPPQCWBLCRV-ZDUSSCGKSA-N 414.849 1.780 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1=O 767531423 GUUAMWMDYLDKJD-MRXNPFEDSA-N 423.557 1.069 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2ccc(Cl)cc2)n1 768068510 MULUJZUMPCPGCF-QGZVFWFLSA-N 412.881 1.971 30 10 HDEE Cn1cc(-c2cc(COC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)on2)cn1 769041676 AEZJNKDHKDJNTO-UHFFFAOYSA-N 415.431 1.247 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774147768 FVTVBZYCFWJLKN-QUCCMNQESA-N 419.547 1.664 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1)[C@@H]1CCS(=O)(=O)C1 774171547 QGSJZFNFQRPPCO-MAUKXSAKSA-N 405.520 1.547 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C(CC)(CC)C2)cc1 779367090 ZYDIQUXLWALOOR-UHFFFAOYSA-N 412.533 1.028 30 10 HDEE C=CCOCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 779954038 MVRQTISXEWQQOK-UHFFFAOYSA-N 403.298 1.839 30 10 HDEE COc1ccc(S(=O)(=O)N(C)[C@](C)(C#N)C2CC2)c(NS(=O)(=O)C(F)F)c1 789758067 DMJZNVVEBPRTPE-OAHLLOKOSA-N 423.463 1.972 30 10 HDEE COC(=O)COc1ccc(C=Nn2c(-c3cnn(C)n3)csc2=NC2CC2)cc1 789968114 JDXAJUHWGKJGOL-UHFFFAOYSA-N 412.475 1.842 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cn(Cc2ccccc2)nn1 790036289 MJTJXWYVPTWYHC-UHFFFAOYSA-N 424.486 1.784 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)c1 791983184 NGGRXNVUTIBDJE-MRXNPFEDSA-N 400.460 1.687 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CC1 793196380 HMRUOMLRMIGNKZ-HNNXBMFYSA-N 409.464 1.068 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1 801949136 JREYWJYZNOWING-WFASDCNBSA-N 417.466 1.921 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 801963133 CUJBSXWFKMULOR-HRAATJIYSA-N 411.462 1.765 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3COCCO3)n2Cc2cccs2)CCN1C1CC1 802698697 RMLXXMQEVCVWJO-WBVHZDCISA-N 400.508 1.652 30 10 HDEE N#Cc1ccc(NCCNC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806413294 ZTZBWHHMPVXMGP-IAGOWNOFSA-N 420.473 1.584 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 808735179 PLFCGKDLDZMWPG-SFHVURJKSA-N 414.487 1.839 30 10 HDEE CSC[C@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 809085307 USCCQKOMOAKZAF-BZUAXINKSA-N 424.519 1.526 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)s1 1083888154 SFBLNBKRESPGMK-UHFFFAOYSA-N 406.501 1.437 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccco2)n1N)c1ccc(F)cc1 1084150498 DSAKZPWZJLSUNY-UHFFFAOYSA-N 403.443 1.969 30 10 HDEE C=CCc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)c1O 1084624692 FSOIZDCVBKWILU-UHFFFAOYSA-N 424.490 1.998 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)c(F)c1 1125640614 BHRQGAHTTNICGA-XLIONFOSSA-N 402.470 1.226 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N(c3cc(C#N)cc(C)n3)C3CC3)CC2=O)cn1 1130965113 PXNABGLELWZDLX-INIZCTEOSA-N 408.462 1.653 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CCO2)cc1 1134507053 KPTCNUOKKSKJBL-LJQANCHMSA-N 404.426 1.824 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 1135524340 YLLREVIGAHFPRS-UHFFFAOYSA-N 423.491 1.801 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ncc(Br)s2)cc1 1152722962 FXRMTAFYTIIHGC-UHFFFAOYSA-N 415.294 1.372 30 10 HDEE C=CCN(CCOC)C(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1156485489 JMYXDXSHWXYIFU-UHFFFAOYSA-N 402.538 1.416 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)s1 1157648065 ZPYWFJZODCPHCH-GXTWGEPZSA-N 404.554 1.029 30 10 HDEE CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N[C@@H]2CCN(O)C2=O)cc1 1159324463 IWHQJOPMDMGPJM-MRXNPFEDSA-N 407.467 1.629 30 10 HDEE CC(C)CN(C(=O)CN(C)[C@@H]1CCC[C@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1175251824 YKTMDDUPIQBFLF-JKSUJKDBSA-N 418.542 1.800 30 10 HDEE C#CCN(CC1(O)CCS(=O)(=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1197768894 KZSWABGTRPJGSV-UHFFFAOYSA-N 400.541 1.261 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 1213515589 YTVMNBMYHBSPOS-UHFFFAOYSA-N 420.531 1.968 30 10 HDEE C#CCOc1ccccc1NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1216743854 NMJYVCGRQIELIK-KRWDZBQOSA-N 408.524 1.775 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1230269100 OYMWZCQNMPLPEZ-ZVZYQTTQSA-N 411.499 1.869 30 10 HDEE C#CCN(C(=O)NCCCc1ncn(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1252308173 OGLAMNMRDOYDAM-UHFFFAOYSA-N 404.515 1.792 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1286279401 LSXITEWCPGHJTD-GDBMZVCRSA-N 416.478 1.844 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1286351802 UPUKADNHJIJZAW-UHFFFAOYSA-N 424.549 1.549 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1286376442 LFHOOIFZVNBTKW-IBGZPJMESA-N 411.506 1.971 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286383745 NKYCUWBETZGESQ-YLAKUSLOSA-N 422.551 1.213 30 10 HDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1286385376 XBZKWQCXGJMAES-CYBMUJFWSA-N 424.324 1.997 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1286484085 HJBAJAVAQZKVRL-UHFFFAOYSA-N 416.913 1.402 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286794142 XYHSBKPJWFAKHW-SJLPKXTDSA-N 402.543 1.742 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1286831180 AYTNOCWLNQELDU-OAHLLOKOSA-N 417.601 1.765 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H](O)c2cnn(C)c2)c1 1291722567 QGCKSPYWOYZPJD-VJWQYWRGSA-N 419.507 1.685 30 10 HDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1296220741 ARXYAEMYTZTSOX-AWEZNQCLSA-N 423.477 1.175 30 10 HDEE CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@H]1CCSC1 1298158785 BQNYHKRGSFATCN-OLZOCXBDSA-N 407.521 1.635 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1299240816 FZJGXQLCCABRNJ-UHFFFAOYSA-N 417.477 1.069 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1300181601 MMKSDFIFXFAPAY-UHFFFAOYSA-N 404.463 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1300267542 HBBHUYOIRCWUSQ-ROUUACIJSA-N 424.553 1.409 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)CN1CCOCC1 1300455425 IVVFNEMBECZPAP-INIZCTEOSA-N 421.505 1.632 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1300500791 DKTWZAYKEUJZRJ-QGZVFWFLSA-N 407.584 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cnn(CCOC)c1 1300587359 UALLYIJRWFAKGQ-UHFFFAOYSA-N 403.490 1.618 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1300690235 DYXVXYTXLPCLDO-UHFFFAOYSA-N 400.490 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOC[C@@H]2CCOC2)CC1 1300727338 XMEDYWKKEAAKGZ-KRWDZBQOSA-N 403.527 1.250 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1300731118 CEXJQGJFXYMLTD-HZPDHXFCSA-N 407.540 1.121 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1301239975 YTNVBROCPIAUBI-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301251549 GBIHZSBVADCZOE-HOTGVXAUSA-N 415.498 1.897 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1301271496 UOHLLXZZXCEYAO-LJQANCHMSA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(C)=O)C1 1301508652 PJGDVITVRFVNNE-INIZCTEOSA-N 402.524 1.338 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1301596325 LOTZQTVRWGKJJU-QGZVFWFLSA-N 420.583 1.738 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301920784 PJTIFVLVCYXWER-OALUTQOASA-N 421.505 1.590 30 10 HDEE CCOC(OCC)[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1306069548 QGEPIPZTWSHCIG-BBRMVZONSA-N 402.451 1.667 30 10 HDEE C#CCN(C(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12)[C@@H]1CCS(=O)(=O)C1 1311135521 JNJHFMSVHDDUMU-CYBMUJFWSA-N 403.460 1.999 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1311929318 YJHFAUPLDPMQSZ-AQNXPRMDSA-N 400.523 1.917 30 10 HDEE CN(C)C(=O)Nc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1326834911 FKPBMZJTMNDHTF-WUKNDPDISA-N 400.439 1.106 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1Cc1cn(C2COC2)nn1 1358990746 ZSTGWQDDMJDECT-UHFFFAOYSA-N 401.474 1.928 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1359113548 KZMQVWUDPPVZPK-GJZGRUSLSA-N 409.556 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1359333416 XDZUZRAXIKISIS-CQSZACIVSA-N 413.544 1.545 30 10 HDEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)c1C 1360879124 GRZHLDRPXRTRPK-IAGOWNOFSA-N 422.493 1.941 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CCN3C(=O)c4ccccc4C3=O)n2)cc1 1361016090 VRRPQTIEBQSSED-UHFFFAOYSA-N 400.398 1.823 30 10 HDEE C#CCN(C(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21)[C@H]1CCS(=O)(=O)C1 1435069890 UGPLSNLBCIEPCQ-PQEBFOHHSA-N 408.317 1.984 30 10 HDEE CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccc(C#N)nc1 1437299038 DEDIJOZZBPAUGQ-UHFFFAOYSA-N 409.471 1.777 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CCCS(=O)(=O)N3CCCC3)cn2)cc1 1438684773 NIGDVUTXPGDJAV-UHFFFAOYSA-N 401.492 1.947 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446445866 WPUUVZFYYZBKRU-FSPWUOQZSA-N 409.483 1.447 30 10 HDEE CCN(CCC#N)C(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O 1459291235 ZPJQRYOFJUACCX-UHFFFAOYSA-N 400.254 1.356 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)cc1CC(=O)OC 1464023124 BRMDNBKKBSLABK-UHFFFAOYSA-N 411.476 1.376 30 10 HDEE CNC(=O)Cn1cc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1464308496 BNTFVBTWJDVQOG-LBPRGKRZSA-N 400.826 1.146 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)C1CCOCC1 1466482366 BFPCNEDMNJKKMI-MRXNPFEDSA-N 410.492 1.665 30 10 HDEE C=CCN(C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1)[C@H]1CCS(=O)(=O)C1 1466796636 XKOJKKQXWLVOKR-AWEZNQCLSA-N 406.464 1.258 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1467990838 FHWIYPAXRHJEHR-YCRPNKLZSA-N 421.494 1.565 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2nc(=O)o[nH]2)C(C)(C)C)s1 1469343946 UTKPPTYDAVJZHX-CYBMUJFWSA-N 414.509 1.335 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2nc(O)c3c(n2)CCOC3)CCN1Cc1ccccc1 1471147529 CVDLHCZQBSFUMG-MRXNPFEDSA-N 408.462 1.174 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1471389800 FOCJLXCQWZTGFQ-BZUAXINKSA-N 413.540 1.321 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCc3ccc(C#N)cc3)cn2)C[C@H](C)O1 1476234665 FZUWMIBGRBPOSK-HOTGVXAUSA-N 410.478 1.755 30 10 HDEE C#Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1477669365 JJGWPFRTYQMUDE-UHFFFAOYSA-N 402.432 1.354 30 10 HDEE C[C@H]1COCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1494578641 OASZQYSWCZIUFJ-STGLLQLASA-N 400.483 1.687 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1505123044 CJVLXVSIIDYOMA-SFHVURJKSA-N 422.470 1.953 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCOCC2CCOCC2)cc1 1505317143 OLLMGTKPKQPWCZ-UHFFFAOYSA-N 424.505 1.586 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CCO1 1505321908 GANWICMBJBIHJI-NVXWUHKLSA-N 411.466 1.440 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1507618332 KPJCTRJJWWKOLH-UHFFFAOYSA-N 406.483 1.890 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)[C@@H](C)CC)CC1 1507721299 ZWDCGVMDLKJMAD-UGKGYDQZSA-N 418.586 1.416 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCNS(=O)(=O)CC)CC1 1507908911 KGRUNHVHEFZPMI-UHFFFAOYSA-N 424.571 1.132 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508071559 AGIBKUDBUVAURZ-IRXDYDNUSA-N 421.542 1.436 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512434464 LHAQULGUYYOYCL-MEUCICPISA-N 423.477 1.482 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1518088428 ANLVYFOJIIBELF-AUUYWEPGSA-N 419.507 1.242 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2nc(S(C)(=O)=O)ccc2Cl)c1 1527165092 NPARXQXTPXWLND-UHFFFAOYSA-N 405.863 1.513 30 10 HDEE COc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ccc1C#N 1530413103 QOOPYZRTDYRYMX-GOSISDBHSA-N 422.489 1.592 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)C(=O)NCCc3ccccc3)CC2)o1 1532916505 BWZUQITUECJSOK-HNNXBMFYSA-N 409.490 1.935 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1535722837 ZNBHTMFTGFNRFL-SJORKVTESA-N 403.504 1.456 30 10 HDEE COC[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1535949841 FPWSVLLRPQDHDX-GOSISDBHSA-N 405.520 1.986 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3c4ccccc4C(=O)OC3(C)C)CC2)c1C#N 1538698579 VNNAYNFQHBYSGH-SFHVURJKSA-N 407.474 1.982 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539218656 BUUNVRDWLZIOGP-SFHVURJKSA-N 401.536 1.741 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1539221704 RFALCPXXJSLRJG-ROUUACIJSA-N 405.568 1.657 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539437524 CWDCZAVELUUIAG-JOCHJYFZSA-N 403.490 1.050 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539517543 PISXVBIVACCBMX-APWZRJJASA-N 424.592 1.554 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1539803037 DFGVDBKDHAXUIN-AWEZNQCLSA-N 405.952 1.846 30 10 HDEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1540005157 JWRGSBSKDJUFLI-KRWDZBQOSA-N 421.523 1.742 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1540154865 FKSJRVAXYYLFEN-OAHLLOKOSA-N 420.539 1.122 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1540867789 IACMYUSXBMTWEH-CQSZACIVSA-N 401.442 1.776 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCS(=O)CC2)n1Cc1ccc(C#N)o1 1545938008 HHCIDEBQRGGEFM-UHFFFAOYSA-N 404.496 1.278 30 10 HDEE CCOC1CC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1548036202 HISJRUXMPVFZQB-WJAMPBCPSA-N 416.526 1.574 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](COC)OC 1548175960 YTTIDMLTEKDARC-KRWDZBQOSA-N 415.498 1.069 30 10 HDEE CN(CC1CC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1554212714 ILRPXSHVSNOALX-VXPUYCOJSA-N 407.478 1.637 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CCO1 1554451482 IBMJSRRBTDHIKU-QGZVFWFLSA-N 410.478 1.480 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1555483254 DRKLCIQHJUKQCZ-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2CCOCC2)n1 1556301831 WLUXXDWVMFYEPB-KRWDZBQOSA-N 402.495 1.841 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1)C(=O)OC 1556376023 ZLEZGOCBCLONNY-IUODEOHRSA-N 405.476 1.818 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)SCCN1CCN(c2cccc(OC)c2)CC1 1559465019 SVRPTFITDVUJKD-MRXNPFEDSA-N 406.552 1.951 30 10 HDEE CCS(=O)(=O)NCCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1559977905 IIKHFHLAFJKEFF-UHFFFAOYSA-N 402.524 1.400 30 10 HDEE Cc1cc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)ccc1C#N 1561233173 DNNBTYWHFJXLNK-UHFFFAOYSA-N 412.515 1.489 30 10 HDEE C=CCc1cc(CNC(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc(OC)c1OC 1563814899 OSMUYGWTUQYLKN-UHFFFAOYSA-N 423.495 1.094 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)c1ccc(Br)cc1 1584708781 UPTBULHUZREOKH-JKSUJKDBSA-N 406.280 1.367 30 10 HDEE C[C@H](CC(=O)N1CCO[C@](C)(C(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1585273751 OCCHUXPTIDNBPL-DIFFPNOSSA-N 401.435 1.386 30 10 HDEE N#Cc1ccc(OC(=O)c2ccc(-n3cnnn3)cn2)c(I)c1 1586274478 SNGCXLJEJPSAFD-UHFFFAOYSA-N 418.154 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@@H](C#N)C1 1587635547 NYXRUQYTEFVSGO-QWHCGFSZSA-N 418.416 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@]2(CCOC2)O1 1587683358 IJWHPVLGGMGRQW-HUTLKBDOSA-N 404.511 1.798 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1ccco1 1588148990 CIZZUGBNZKKLCY-UHFFFAOYSA-N 417.469 1.973 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1588162177 MCPXUUGSEFDSPW-UHFFFAOYSA-N 417.473 1.391 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1588751142 IUJJCWAOYHPRGT-XMSQKQJNSA-N 417.554 1.501 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1594567956 UIWLXMBIGATXQP-HZPDHXFCSA-N 422.559 1.678 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1594625518 GKPHYPLGDMWFTI-OAHLLOKOSA-N 423.539 1.615 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cnccn1 1595577500 UYYLJWUWFMPXTR-UHFFFAOYSA-N 407.478 1.894 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC(C)(C)[C@H]1C 1595607133 ARIKBFKXDUPTEX-VYDXJSESSA-N 407.515 1.308 30 10 HDEE COC(=O)c1cccc2c1CCN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1597669306 CAWGNZJWIUJFFI-UHFFFAOYSA-N 413.455 1.491 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)[C@H](C)C1=O 1607493143 DLYBCVDXPMUBSU-MRXNPFEDSA-N 423.521 1.598 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1616666000 XYFPAPSOTSRILJ-ZACQAIPSSA-N 424.571 1.757 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCc4ccnc(O)c43)C2=O)cc1 1617656130 FOZOEUJIMSPFCF-INIZCTEOSA-N 405.414 1.843 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1618290814 DIZLXBLGJBJCAF-UHFFFAOYSA-N 407.478 1.691 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1618526750 QQRXMMDIJGTJME-YWZLYKJASA-N 406.531 1.687 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1619776876 NEXWAQNWVFXYCP-JLTOFOAXSA-N 421.448 1.663 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)CCO1 1620356304 WFEYUGCBURJKKF-JKSUJKDBSA-N 400.439 1.158 30 10 HDEE CC(C)N(CCC#N)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1621766252 COCHELCOQZRJLE-GOSISDBHSA-N 409.508 1.978 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)N2CCN(CCS(N)(=O)=O)CC2)cc1C#N 1624973562 FJRUKIHSFQDSNV-UHFFFAOYSA-N 409.512 1.174 30 10 HDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCN2CCO[C@H]1C2 1628293444 ZVNVPEIHANXRKQ-MSOLQXFVSA-N 419.323 1.688 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H]1CCN(O)C1=O)Cc1ccccc1 1628369993 HSMOHXCUMYVTRT-MRXNPFEDSA-N 406.483 1.120 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 1630585969 ZXGNRXGUWGURPZ-ZNMIVQPWSA-N 401.529 1.127 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCCN3CCC[C@H]3CO)CC2=O)cc1Cl 1631273185 GEKAYUARSIAHIU-WMZOPIPTSA-N 418.925 1.918 30 10 HDEE N#Cc1ccc(OCC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1Br 1631838871 NPKOGIXWOMMISV-CQSZACIVSA-N 423.311 1.403 30 10 HDEE Cc1occc1C(=O)NCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1632252918 HJGRGCVXMGWUQA-UHFFFAOYSA-N 418.457 1.928 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)COC1 1633447036 WFUWCCLKSUPBHA-GOSISDBHSA-N 414.506 1.907 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)c1cc(S(N)(=O)=O)cc(F)c1C 1633911269 RIEZJKIGVRAKEF-UHFFFAOYSA-N 407.423 1.931 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)Cc2ccccc2C)s1 1634154658 YCONFJBPEIMHNF-MRXNPFEDSA-N 408.545 1.783 30 10 HDEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CCCC1 1634504717 OQBZBZVOWGCPOE-MRXNPFEDSA-N 418.563 1.981 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1635159753 CIOHXXGIZSAYMC-LBPRGKRZSA-N 418.291 1.647 30 10 HDEE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1CCN(O)C1=O 1636352958 PKJKNXXUQHBLFV-AUWXEVLLSA-N 409.464 1.523 30 10 HDEE CC(C)(C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)cc(C#N)c1 1636708205 DKYDEFCEUKPDQK-FQEVSTJZSA-N 402.514 1.888 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1638208000 IICLWWPGMOCGDL-AWEZNQCLSA-N 418.441 1.553 30 10 HDEE C[C@]1(C[C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2C#N)NC(=O)NC1=O 1640484295 YIUFIDXGJVHAEU-KBXCAEBGSA-N 419.279 1.842 30 10 HDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)CCOCC1 1644528867 MAJXZMZGYJJTJR-UHFFFAOYSA-N 423.517 1.848 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN3CCSC[C@H]23)s1 1644757352 CWZUYTIQHQRUAI-HUUCEWRRSA-N 415.606 1.451 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c[nH]c3cccc(C#N)c13)CCS2(=O)=O 1646626331 TYRBEVOZWQNYTE-LQZXRHCMSA-N 415.471 1.668 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(CCC#N)CC2)cc(C(F)(F)F)c1 1648962848 BJGJJJNWJIIWSX-UHFFFAOYSA-N 404.414 1.748 30 10 HDEE N#CCCN1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 1648963406 ZPZCUXLPPFTEMG-UHFFFAOYSA-N 421.295 1.622 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3sc4c(c23)CC[C@@H](C)C4)CC1 1652162221 JVEDADYRLZSTBA-CYBMUJFWSA-N 405.549 1.406 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)c([N+](=O)[O-])c1 1652818162 GJRFMRHERMGKIH-OAHLLOKOSA-N 422.507 1.565 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(=O)OC 1655866940 UEEBOTDTZSJIKC-ZLKJLUDKSA-N 405.476 1.329 30 10 HDEE C#CC1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1657715384 HSVXRGLAAPKHBY-UHFFFAOYSA-N 421.519 1.983 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](NC2CCOCC2)C1 1660001378 FHQKUBMDLAJSLF-IBGZPJMESA-N 408.506 1.915 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(=O)OC 1661652331 CHOOFGKDCDQDJB-JTQLQIEISA-N 413.370 1.616 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1664254199 TUPYLNJRXAQBOE-GTJPDFRWSA-N 409.327 1.515 30 10 HDEE N#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1665518542 AHWPNGVSXAIFRC-UHFFFAOYSA-N 413.503 1.420 30 10 HDEE C=CCC1(NC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CCOCC1 1669081393 HCQPNDGAGCQWIM-IYBDPMFKSA-N 405.499 1.766 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 1677105807 RIILIRABJODXHD-HOJAQTOUSA-N 406.571 1.868 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1nc(C)nc1C 1686101370 WGVDKLWKMYYFGQ-GFEQUFNTSA-N 401.511 1.514 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCCN3C3CCCCC3)C2)c(=O)nc1O 1686283970 XPVIBFRNMANOCI-INIZCTEOSA-N 400.483 1.184 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CCO[C@@](C)(C#N)C3)cc2)C1=O 1686446840 RPROSTURUBDJNU-SFTDATJTSA-N 411.462 1.736 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689846263 IELMJHWXPAMKRT-FUHWJXTLSA-N 412.542 1.079 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1689861321 SUKAVORFGMOUEE-OAHLLOKOSA-N 418.592 1.776 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1689907633 FYXVIJHZHISKAS-KKSFZXQISA-N 403.527 1.994 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1689940119 OBBBKGHEUUHWBI-SFHVURJKSA-N 413.478 1.230 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccccc1CN1CCOCC1 1690028134 LLTLVYPXZPPVFI-UHFFFAOYSA-N 407.518 1.768 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1Cc1cnnn1C 1690090140 XABSONHPDYLCCW-UHFFFAOYSA-N 405.441 1.634 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](CCC)OC)CC1 1690135384 VLMRWDACBDWELI-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C=C(Br)Cn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1690233466 HQKVRNCJZRQKAQ-UHFFFAOYSA-N 422.283 1.711 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690669721 MXUGTWXUZZSDQW-MRXNPFEDSA-N 402.543 1.981 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1690751166 WOVUVKRJGFRCKA-DNVCBOLYSA-N 409.556 1.516 30 10 HDEE C[C@@H]1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 1693582366 CICNUMOOEGHGFC-HZPDHXFCSA-N 424.505 1.869 30 10 HDEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 1694484647 BOUMKCVVQQQXBM-GOSISDBHSA-N 424.505 1.870 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1696588203 AEJIQZYTAXEXLP-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1697980079 CKEJJEQRAUSORA-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cs2)CC1 1705538413 NXEVDTVYCSFJEO-UHFFFAOYSA-N 413.551 1.905 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705564549 PBJFAXYNQRVEHU-IBGZPJMESA-N 412.515 1.919 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N(C)C 1705580555 KDSTVWAQQBROMR-UHFFFAOYSA-N 403.446 1.145 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N[C@@H](C)CC 1705588846 GEFPJRMABDIFHI-KRWDZBQOSA-N 421.505 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCC1 1705596599 IZQVGCHUDOTUDS-QGZVFWFLSA-N 404.536 1.950 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)CN2CCOCC2)CC1 1705639402 NJEVYMXHHPIOFZ-PMACEKPBSA-N 416.570 1.243 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1705652233 SNRSHABJFMIYGJ-UHFFFAOYSA-N 410.507 1.662 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1705672964 METCNLQMEWROQF-HNAYVOBHSA-N 419.551 1.579 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705693682 JORVQDCFBHQUGA-LPHOPBHVSA-N 413.526 1.969 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)C1 1706935114 MHTWCWVCNAVUFZ-TXPKVOOTSA-N 407.540 1.879 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1706935419 QXVIDBPDVYNUET-APWZRJJASA-N 422.555 1.338 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1708153401 WYPXTYWZXDOOPI-APWZRJJASA-N 422.489 1.741 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709339503 DOGFYNKQEFDFCJ-UDJKBAMHSA-N 423.477 1.482 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1=O 1712486445 NFVAFEJOTXHQFI-KRWDZBQOSA-N 424.505 1.538 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1712887276 ALCASWDFRPJXHM-IAGOWNOFSA-N 407.540 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1722278281 QKTQKBVFHNKUFH-CHWSQXEVSA-N 409.487 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1722295872 VWMBPAAXHURQQI-OAHLLOKOSA-N 411.597 1.772 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCN1CC 1722350403 YTGAOAQBEKRNPA-INIZCTEOSA-N 405.506 1.746 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722410199 VVDUDKLSAQGBTP-FUHWJXTLSA-N 416.551 1.937 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCOC[C@H]1C 1722426034 VSYZTKFCLKRCFL-MRXNPFEDSA-N 418.567 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCSC2)CC1 1722448057 QSSVBPWWVAXKMA-NRFANRHFSA-N 417.579 1.770 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1722483970 GESSROPBSZOHHF-UHFFFAOYSA-N 408.304 1.874 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1722510510 VCGPKMULFZBYGF-YVSFHVDLSA-N 407.540 1.900 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(C)c2)C1 1722708867 FFQJIENKTCVDPX-KRWDZBQOSA-N 401.515 1.760 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1722711712 HJMYTJJIQSECAQ-IAGOWNOFSA-N 420.539 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1722724005 KNYJMVMXWPDERM-HXUWFJFHSA-N 402.520 1.866 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1723192071 GXPZGLXOHBHNOF-UONOGXRCSA-N 402.421 1.393 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CC)CCOCC2)CCOC1 1728815087 BXSAQPRFHJZQMU-UWJYYQICSA-N 419.526 1.866 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCN(C)CC1 1731063190 CVUORQIIOJGUEC-INIZCTEOSA-N 417.583 1.797 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2ccnn2)CCO1 1731186718 GENOWVLAIAXDHT-QGZVFWFLSA-N 412.885 1.933 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1731188089 BIWXZJVNHDYWAP-MSOLQXFVSA-N 410.478 1.217 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCn1nc(C)nc1C 1736589086 WGVDKLWKMYYFGQ-QQXKLLMISA-N 401.511 1.514 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1740530884 ABYVXOAKDZGQMI-HBIPHATFSA-N 401.536 1.801 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740578482 BMRAZMPWIPZREW-UHFFFAOYSA-N 411.485 1.788 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1740654243 JEVDZFGHESZCDP-UHFFFAOYSA-N 418.480 1.916 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1 1740926083 RAYCTFPWEDZYLM-UHFFFAOYSA-N 404.559 1.830 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC(C)(OC)C1 1740950633 BHHZMPBMOPPNKT-UHFFFAOYSA-N 412.494 1.675 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCCC2)C1 1740951257 DRTKFBWXMCUNNR-OAHLLOKOSA-N 424.571 1.351 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC[C@@H]1C 1740955465 VHBANBDURTUOSN-AWEZNQCLSA-N 415.519 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740986618 CCIPVOGCKUKGFR-UHFFFAOYSA-N 403.508 1.150 30 10 HDEE CCOCc1nnc(N(C)Cc2ccoc2)n1CCN/C(O)=C1\N=CC=CC1=O 1747038891 AWARGMDKVAPQJO-ISLYRVAYSA-N 400.439 1.570 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747281785 UQVSOVUUJGMCOK-RMYFCYLKSA-N 400.483 1.545 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1748045963 OZTPECORTNUDEY-NRFANRHFSA-N 404.478 1.665 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1Cc2ccccc2C1 1748772977 RERMVPIGGNWXST-OAHLLOKOSA-N 401.536 1.763 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1ccnc1C 1748829715 HZZNJEPPEYPDAY-QFIPXVFZSA-N 410.522 1.987 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)NC(C)C 1748858621 QVHQDVBKZGNJFE-IBGZPJMESA-N 407.474 1.778 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCc3nccn3C2)n1 1748970588 KNBFNKYMYTXESI-GOSISDBHSA-N 408.510 1.528 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)F)CC1 1749001605 XRSXOTOEXZQNDA-UHFFFAOYSA-N 412.416 1.042 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1749037068 AUFZNEYBRMZRGK-KRWDZBQOSA-N 421.567 1.618 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1749040242 RNRRALPMUFDCFW-UHFFFAOYSA-N 412.563 1.935 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749049972 ULPBCRSJGSDEMX-HUUCEWRRSA-N 404.496 1.765 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749097603 FFDPZZKFNOLYJU-CHWSQXEVSA-N 423.315 1.339 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749354694 XDIDXIOGXYWSJX-KBPBESRZSA-N 412.560 1.158 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CC)C1 1749680851 SXCYJJANZKTCIH-HNNXBMFYSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1749729452 KAJNZFZKDGXRSU-MRXNPFEDSA-N 421.498 1.400 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)n(C)n1 1751822760 HPSSCADIGSTVQZ-KSSFIOAISA-N 420.543 1.109 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)C[C@@H](C)O1 1752400943 FGOAXDHNGKSOSF-IAGOWNOFSA-N 412.542 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760124253 QKEQVWPFVKQOID-WMZOPIPTSA-N 424.505 1.920 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1760131159 OYJXCLYQFYSWFE-JKSUJKDBSA-N 420.543 1.125 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760212764 DHTIDCOXIZKHKE-SFHVURJKSA-N 420.473 1.405 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1n[nH]c(C)n1 1760246432 YJWSAQDCOGSRKB-UHFFFAOYSA-N 409.450 1.429 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccccn2)CC1 1760260119 LVPAHHIFWMGPHB-UHFFFAOYSA-N 402.506 1.863 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(C)c2ccccc2)CC1 1760273465 VVJYZLMVOKJCKW-UHFFFAOYSA-N 424.549 1.917 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)CC1 1760396948 LSTQPHIIAKHCEP-LLVKDONJSA-N 411.557 1.499 30 10 HDEE Cc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762610503 KKKHKIJHGOBCSK-VXPUYCOJSA-N 423.477 1.145 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CCCO1 1763198641 HCRLFDRVPDXCJL-QGZVFWFLSA-N 412.542 1.919 30 10 HDEE CCOC1CC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1766111634 CRBABEUHNRDBDW-GYXIZQIFSA-N 409.556 1.981 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1768569205 FGRNOAPRUQGINV-JVMRMLDLSA-N 423.477 1.015 30 10 HDEE COC[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769470276 PTYGSAZEAHTGOU-IJYGLTAASA-N 400.483 1.230 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCOC[C@H]1OC 1769843301 FRKLBMPQFYKCQF-QZTJIDSGSA-N 400.483 1.758 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1770159657 LRGGNUBLLUSDFN-RTBURBONSA-N 424.505 1.727 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770727138 CEZAWZBGULSPCK-ZWSWSHGQSA-N 422.424 1.308 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1771232347 SEVNCKRZNVUQCL-CVEARBPZSA-N 420.514 1.180 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCC2=O)CCO1 1771536817 CGEREWJGHNZSSS-SJORKVTESA-N 402.499 1.303 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 1772793398 XYATURNNLCOTGG-UHFFFAOYSA-N 418.402 1.978 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1772842549 ZQAFJPOESKKATJ-LRTDBIEQSA-N 420.477 1.668 30 10 HDEE Cc1cc(C(F)(F)F)n(-c2nc(C(=O)NCC#CCN3CCOCC3)cs2)n1 1851352119 WJNYPJUKILWDNJ-UHFFFAOYSA-N 413.425 1.721 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@@H]1CN(C)CC[C@H]1c1ccc(F)cc1 1851959781 YAHOXGJZUUHSMJ-RDJZCZTQSA-N 414.437 1.547 30 10 HDEE N#CCCn1nc2c(c1NC(=O)c1cc3n(n1)CCC[C@@H]3N1CCOCC1)CCC2 1853156732 ZVHJONQMROQPKC-SFHVURJKSA-N 409.494 1.901 30 10 HDEE NC(=NOCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1cccs1 1853586623 WPWPSYSOSFQZGH-UHFFFAOYSA-N 416.503 1.848 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)c2ccc(C#N)cc2)C1=O 1854035694 XYPPOUOJCPCSGX-OALUTQOASA-N 417.531 1.977 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(OC)cc(OC)c2)C1=O 1854168153 LBMOOPZVYHMBKR-ZWKOTPCHSA-N 401.463 1.164 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cn(C)c3ccccc23)C1=O 1854282272 FENDMZNQQHRJCC-VQTJNVASSA-N 408.502 1.567 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)nn3)CC2)C1=O 1854310592 CBKMCINOTMUPOH-IAGOWNOFSA-N 401.511 1.727 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)cc1 1856102083 FAJJPJSKCQWVJS-INIZCTEOSA-N 422.407 1.438 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)[C@H]4CCCCO4)C3=O)CC2)n1 1856970528 IWIGLOFRSGNLOO-RTBURBONSA-N 412.490 1.741 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1857025875 BZAWJJCGDPITNX-GOSISDBHSA-N 403.504 1.999 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C1(C)C 1857084984 XYYCDPBCLOAWAN-OAHLLOKOSA-N 404.536 1.923 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc3c(c2)OCO3)C1)[C@@H]1CCN(C)C1=O 1857263869 KASMKMJFDMZAIQ-IAGOWNOFSA-N 413.474 1.052 30 10 HDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)n1 1857969761 QKZSVFRSIMZYTQ-UHFFFAOYSA-N 400.420 1.014 30 10 HDEE CCCCN(CCO)C(=O)[C@@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869930032 RJWCMQHZEODFHU-OAHLLOKOSA-N 413.565 1.468 30 10 HDEE O=C(N[C@@H](CS(=O)(=O)CC#CBr)C(=O)O)OCc1ccccc1 1883385686 DQPIOAQUHMOLNV-LBPRGKRZSA-N 404.238 1.137 30 10 HDEE N#CC[C@H](O)Cn1cnc(I)c1I 1884121704 UNBJWGBQTOSONJ-YFKPBYRVSA-N 402.961 1.367 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)CC1 1890975177 MOOMSEJULIZZMJ-UHFFFAOYSA-N 404.942 1.536 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCc2nnnn2-c2ccc(F)c(F)c2)cs1 1891476107 SLRFTWXDYODIMG-UHFFFAOYSA-N 405.390 1.243 30 10 HDEE N#CC1(c2ncc(I)cc2Br)CS(=O)(=O)C1 1988533573 XPNJTLAHKUUPRK-UHFFFAOYSA-N 413.034 1.638 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC(O)C1 1990036325 VLUBXSLAGFKLDH-WCGZIJFHSA-N 424.498 1.376 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174781378 FKNNEDBKSMYZLI-SOUVJXGZSA-N 402.517 1.081 30 10 HDEE CCS(=O)(=O)CNC(=O)Oc1c(N)cc(C#N)cc1I 2233865695 LCPQDFHXMDLHGL-UHFFFAOYSA-N 409.205 1.226 30 10 HDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815234 YFWSTIUGMRCQLT-UHFFFAOYSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247828225 MNLZTOQXIPHYJW-MPBGBICISA-N 418.303 1.448 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248060240 CSWUQPWMLWYLQF-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(=O)O)Cc1ccccc1 2248576522 GWGYXVZJGQJLPT-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CC[C@H](C4OCCO4)C3)c(Cl)c2)OC1(C)C 2267148479 AEGFSYOUXVLNEM-LBPRGKRZSA-N 408.691 1.869 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSC[C@@H]3CO)c2)OC1(C)C 2267368368 IGMQYSRFBZYLJV-LBPRGKRZSA-N 405.372 1.146 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267564193 SCZPVEAWXWEIEI-MRVPVSSYSA-N 408.738 1.108 30 10 HDEE Cc1nc(C(=O)NCC2(S(C)(=O)=O)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282019642 ORSARGGDNIAPMS-UHFFFAOYSA-N 400.331 1.058 30 10 HDEE CC[C@@](C)(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282304578 MIPGQUGXCLSYFG-OAHLLOKOSA-N 422.765 1.633 30 10 HDEE Cc1cc(S(=O)(=O)N2CCOC(F)(F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282307642 GBXZIPASSKORKG-UHFFFAOYSA-N 409.285 1.969 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1C 2282330511 AKMUXWPHUYPOKF-STQMWFEESA-N 400.375 1.666 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2282331726 RDEBTTOCPFQYFC-SCZZXKLOSA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H](CCN)C3)s2)OC1(C)C 2282332380 ZWQCVVZSXZKGIH-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE C[C@@H](O)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282333027 JNJFXBHDTOUVNN-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](CO)CC3)c2)OC1(C)C 2282348104 HJOGFCSCGAHNJD-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CN([C@H]1C[C@@H](O)C1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282421461 ODFHHSUBBPUBIE-TXEJJXNPSA-N 401.721 1.783 30 10 HDEE C[C@@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502858 QPKJJPDEIBSDFD-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CC1(O)CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282503371 ZAGQBFFJZAUOIP-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H](O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282829998 NUMBKIIYFNTYNE-CYBMUJFWSA-N 403.375 1.993 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282832531 ALICLVWGQVLKIM-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCN[C@H]1C 2282844134 YNQSNTFMLMSJBX-WCQYABFASA-N 400.375 1.775 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@](C)(CCO)C2)OC1(C)C 2282849367 AKEFAWYWAMLASA-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE CC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)N(C)C 2282859913 RYZAIUFGUYEWEX-NSHDSACASA-N 402.347 1.192 30 10 HDEE CN([C@H]1CCOC[C@@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282863599 UICOPNWLHVGBRK-STQMWFEESA-N 405.322 1.795 30 10 HDEE CCCN(CCC)S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284054836 KEXNIOKSBAJLSX-UHFFFAOYSA-N 403.379 1.899 30 10 HDEE C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284394844 DISQGPAOQFLEDY-MNOVXSKESA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](F)[C@@H](C(=O)O)C2)OC1(C)C 2284410798 DTHNXRTVPPDNSG-ONGXEEELSA-N 405.278 1.091 30 10 HDEE O=C(NC1C[C@@H]2COC[C@H](C1)C2=NO)c1cc(I)sn1 2285896052 CMPMCVGXUSSDNL-DHBOJHSNSA-N 407.233 1.733 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@H](C)CO)C(=O)[C@@]12C 2297591369 BRVZONRXRINYIX-ZEDNOMKYSA-N 401.415 1.539 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@]2(O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2319402679 CWXFPBPHNKOEFQ-YLJYHZDGSA-N 406.504 1.058 30 10 HDEE COc1cccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 2322614475 KIOMUWNCBKZUOR-LLVKDONJSA-N 412.855 1.417 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2)CC1=O 2327842451 AJOPYRLWZYZTLF-ZDUSSCGKSA-N 418.498 1.991 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1 2351014472 ZTVSDUFCXBNOLC-FUHIMQAGSA-N 420.487 1.021 30 10 HDEE Cc1ccc(I)c([C@H](C#CC(C)(C)S(C)(=O)=O)NN)c1 2365185769 ZPRICYSBCFYIQK-ZDUSSCGKSA-N 406.289 1.931 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(COC)NC(=O)OC(C)(C)C 2367806585 LPSDTYOPFINYJK-QAPCUYQASA-N 402.557 1.865 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2OC)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 2295027 YYPVANGPPPMEJQ-WEMPKCCASA-N 409.442 1.433 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 96546420 WSJZGILPRKGYSV-LAUBAEHRSA-N 401.463 1.704 30 10 HDEE COC(=O)CCS(=O)(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 404951419 VWGWTUZBIVEOFG-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 409508322 LXHXRRYYOXEPSC-MRXNPFEDSA-N 404.496 1.715 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)n1cnc(C#N)n1 409598689 DHKSBOFWRCYDRJ-SNVBAGLBSA-N 401.228 1.752 30 10 HDEE C[C@@H](C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)n1cnc(C#N)n1 409881361 YXWKNKNUFSWDJS-ZDUSSCGKSA-N 420.470 1.209 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)cc1 429974343 PKFPVEOTSRXLLF-KRWDZBQOSA-N 407.492 1.705 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2=O)cc1 438298695 AFBZQNGMJFUQRH-HXUWFJFHSA-N 404.470 1.883 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3cccc4c3OCCC4)n2)cc1 440719566 YKFMAQQCSDISFW-UHFFFAOYSA-N 402.414 2.100 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 465029020 GWGJVYVMEOJPQP-SFHVURJKSA-N 413.499 1.877 30 10 HDEE C[C@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)n1cnc(C#N)n1 466875268 WPPADNIYAAYMIX-SNVBAGLBSA-N 406.244 1.344 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OC)c3ccc(OC)c(O)c3)cc2C1=O 474579383 MXKIBGWOCSMICE-GOSISDBHSA-N 424.409 1.827 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@H]1CCCO1 481980286 KSHSCIOZWMQKKS-CQSZACIVSA-N 413.524 1.750 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2cccs2)C1 483087834 JXQDYDAPNGMSLU-XJKSGUPXSA-N 405.501 1.887 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 503425904 IXUHMOATWUOSDF-XIIRODNTSA-N 401.463 1.171 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508477612 MAASISHSLSWARF-LSDHHAIUSA-N 405.503 1.763 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)cc2)cc1 537313698 CRRGJJWROMFUNG-INIZCTEOSA-N 416.484 1.359 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 539505887 MRWWRINKHSGRMM-UONOGXRCSA-N 404.496 1.619 30 10 HDEE CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541105903 FSVMSJMZXSFBGR-INIZCTEOSA-N 418.885 1.554 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cccc(S(=O)(=O)NC4CC4)c3)CC2)n1 546875609 XEVKTVROCJLKPY-UHFFFAOYSA-N 411.487 1.356 30 10 HDEE CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 558868525 UPQAREIWIZJKEE-UHFFFAOYSA-N 422.518 1.883 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc4ccccc4n3)CC2)c1 559648407 LORRFCACEQGKJH-UHFFFAOYSA-N 400.442 1.466 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccncc2OC)CC1 563259186 RNBXBZJQDUVUCT-UHFFFAOYSA-N 411.510 1.820 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOCC2CCC2)CC1 564659620 PBLMRAAWYLORKD-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)CC2)o1 580415613 AKXYUJWLOAKOAI-HNNXBMFYSA-N 409.512 1.001 30 10 HDEE C=CCN1CC[C@]23c4c5ccc(OC)c4O[C@H]2C2(CC[C@@]3(O)[C@H]1[C@H]5O)OCCO2 605694422 PBUSATFNAWNBPM-KTIPNOMGSA-N 401.459 1.269 30 10 HDEE in-vitro O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 731886638 AGYSIRHRLHAUAH-VKQKAZQBSA-N 418.453 1.800 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 732960233 CEQYULVKYUGUDY-WZBLNXIKSA-N 420.425 1.693 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 733672979 JEVZIFKJMIWBBW-PASDCYSWSA-N 417.531 1.868 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 733675191 ZWGQRJSWKSJPTO-UHFFFAOYSA-N 422.551 1.641 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1C(=O)c2ccccc2C1=O 754834369 KAINGJUFDFQFHT-ZIAGYGMSSA-N 412.446 1.643 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C#N 756894494 NTHSIFBCCUAOED-YPMHNXCESA-N 403.464 1.870 30 10 HDEE CN1C(=O)C[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H]1c1ccc(Cl)cc1 768760808 ZPXOADYMOOMJBX-ZIFCJYIRSA-N 401.898 1.994 30 10 HDEE C#CCN(C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 769534982 JTURSTLJVNDFAI-VQTJNVASSA-N 405.564 1.975 30 10 HDEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(S(N)(=O)=O)cc1C#N 777843864 UTMBZAWASQXXPQ-HXUWFJFHSA-N 400.504 1.279 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnc(C)s2)C1=O 779755667 VEMNHGUBWTYOMN-ZDUSSCGKSA-N 400.489 1.986 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 781050399 XKUKCFGXMMNWOT-RLBWVDARSA-N 424.436 1.432 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1 783528726 OKKUQHTVOGZARG-SILNSSARSA-N 423.520 1.443 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CCCCC1 784546808 MYGPVDOXZPHRHE-SJORKVTESA-N 423.535 1.348 30 10 HDEE CCCc1c(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cnn1-c1cccc(C#N)c1 784714240 MJDTXBKVEZXPMM-KTKRTIGZSA-N 418.457 1.746 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1ccc(CC#N)cc1)S2(=O)=O 790028770 DNBAWSCYLKBAAV-UHFFFAOYSA-N 415.427 1.553 30 10 HDEE COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 802488875 CQWQAAUWODGLAL-CQSZACIVSA-N 406.512 1.438 30 10 HDEE CC[C@@H](NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)c1nnc2n1CCCCC2 804102502 ZXBDAJQHGSLYLP-MRXNPFEDSA-N 410.478 1.768 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 804718302 DCSZQGFRDKHQTK-UHFFFAOYSA-N 422.478 1.698 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)cc1 805269642 WZPLCTJYFDIUSK-YOEHRIQHSA-N 421.519 1.726 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809808982 DOQCYPGGHWOMDE-SECBINFHSA-N 410.832 1.198 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)c1ccc(F)cc1 812937347 YKZYBIKILMXYOT-QZTJIDSGSA-N 411.499 1.582 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816674056 PBSTUOKDYHSNCK-HIFRSBDPSA-N 415.309 1.103 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 916775602 WSCLDCQDBNJCQP-IBGZPJMESA-N 411.483 1.861 30 10 HDEE O=C(C#CC1CC1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1135509279 OMISQSIKVZIWAP-UHFFFAOYSA-N 403.323 1.757 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCN(S(C)(=O)=O)CC1 1136137642 GFLNJHKEVBEXRG-AWEZNQCLSA-N 402.517 1.067 30 10 HDEE COc1ccc2c(c1)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCO2 1141278783 BXJXKATYMKEMOG-UHFFFAOYSA-N 415.471 1.922 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)c1 1141869280 BBRNNZIFVHVEFJ-HNNXBMFYSA-N 413.521 1.010 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1141926725 UIHSOHAZUGQGHJ-CZIZESTLSA-N 420.416 1.334 30 10 HDEE CCCCOC(=O)C(C)(C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1163683449 JDUDCYNCUODOCM-ZDUSSCGKSA-N 409.508 1.742 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CC1 1203937945 ASWYPZCHFMQDGH-OAHLLOKOSA-N 414.491 1.727 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)CC1 1222410982 PGMGDQRRWXDPRM-MRXNPFEDSA-N 408.524 1.396 30 10 HDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1226375610 FTVKONPYLFTDEI-MJGOQNOKSA-N 409.494 1.875 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)CC1 1248485441 IUCRQWSPAAVIIG-RBUKOAKNSA-N 404.536 1.508 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1279023238 SNRIPRVCQBBGAT-OAQYLSRUSA-N 401.463 1.894 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](F)COC 1286285667 ORQFKPXFFRSVJT-KGLIPLIRSA-N 408.503 1.681 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(F)F 1286370240 IRGHBJIYGLUXDY-UHFFFAOYSA-N 412.466 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCSC1 1286433449 UQGPUJIBEJTZLE-ZWOKBUDYSA-N 404.536 1.333 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCc2nc(C)no2)CC1 1286494576 VMBOLCDJLTZUHK-UHFFFAOYSA-N 413.526 1.767 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1286508637 ODTFFRVHWBJNTN-UHFFFAOYSA-N 418.611 1.635 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286688825 ZHAPPIDLVWUPSG-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1 1286788397 VUIPYHLSNWCSTD-INIZCTEOSA-N 407.515 1.310 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1286795970 FXFMGAPUUHPRHG-GOSISDBHSA-N 422.489 1.856 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@@H]2C)C1 1286803670 FTQBZCOLVDSYNC-WMZOPIPTSA-N 401.515 1.181 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)C1 1286808984 OUFBHJSVVIEVRJ-MRXNPFEDSA-N 409.450 1.426 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)CC1 1288986631 WOXNHCRBHOKZPI-CVEARBPZSA-N 402.499 1.555 30 10 HDEE CCC(O)(CC)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1292294113 RWKCGJXZJMOMLH-UZLBHIALSA-N 407.515 1.599 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CN3CCOCC3)n2)c1 1295876283 AGTVSECSOOWUEM-UHFFFAOYSA-N 413.499 1.963 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CC1 1298283511 FZGVNWNZWSVHHT-UHFFFAOYSA-N 423.502 1.820 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@](C)(O)c2ccccc2)cn1 1298818025 CNPAHSCOVSTQAP-NQIIRXRSSA-N 407.478 1.705 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CC(=O)N(CCOC)C2)c1 1300331800 QMQDJIFYGQSZLU-GOSISDBHSA-N 424.505 1.138 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 1300664591 CRHIZVCXUBZISV-LJQANCHMSA-N 418.586 1.632 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1300682991 UQTPAZXTIYSCCT-UHFFFAOYSA-N 404.522 1.960 30 10 HDEE C#CC1(O)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1301219281 HJADNMOEDGDSKH-UHFFFAOYSA-N 403.504 1.272 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(O)cc2)C1 1301558804 YYRCPXNECZLYBP-FUHWJXTLSA-N 418.519 1.715 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCOC3)nnc2N(CCC#N)CC2CC2)C1 1302467477 ANFKBLQFPRHHLL-IRXDYDNUSA-N 422.555 1.194 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(C)cc2C)CC1 1302923610 AKSBNKCCVQWALL-UHFFFAOYSA-N 414.325 1.291 30 10 HDEE CC1(C)CCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1303956745 FVUMXISBNFYHTO-WOJBJXKFSA-N 404.490 1.897 30 10 HDEE C=CCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)CCOCC1 1304116315 FWBPRHNGQWLDJE-UHFFFAOYSA-N 406.468 1.322 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccc3nnc(S)n3c2)c(=O)c1C#N 1306834202 OJYMLTKDGQNQJT-UHFFFAOYSA-N 419.264 1.815 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(OC)c1OC 1311747164 DOAQRQPUVGGZTA-OXJNMPFZSA-N 419.503 1.512 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CC1 1312538949 NZNVAHKLOMVWMA-KNXWPPODSA-N 418.519 1.719 30 10 HDEE COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315780987 NWVOMDDPHDGQCB-WBMJQRKESA-N 411.466 1.047 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 1320032132 SRWDTHGGYRDCLR-QGZVFWFLSA-N 402.451 1.680 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(C)=O)c(F)c2)n1 1339518057 GSRKROQJANPEFZ-UHFFFAOYSA-N 408.455 1.451 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2cn(C)nn2)c1 1354586397 IDGAZLZMIHDJSZ-RELWKKBWSA-N 418.523 1.979 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N[C@H](Cc1ccccc1)C(N)=O 1355921689 DUPAPUMIHMSLLY-OAHLLOKOSA-N 402.248 1.912 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)COC)c1 1358902526 QQGBRBRREUWQSU-QAPCUYQASA-N 424.505 1.568 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1358960133 YAWUHGPVPRRSEA-OAHLLOKOSA-N 418.494 1.747 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCNS(C)(=O)=O)CC1 1359162471 RQKNVOIHMLITIU-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359212057 YQOZYSLRIHGAQK-OAHLLOKOSA-N 407.482 1.554 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1359234570 TUFNFOWQCODOBE-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359296311 FCQVZBMWJKZXRI-INIZCTEOSA-N 407.478 1.211 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359301639 FLZZZKPBMOXEEY-OALUTQOASA-N 422.533 1.727 30 10 HDEE C=CCN(C(=O)c1cc2c(cc1Br)OCO2)[C@@H]1CCS(=O)(=O)C1 1435067939 CTEUGKZPDQUKMS-SNVBAGLBSA-N 402.266 1.993 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCc2cccc(OCC#N)c2)C1=O 1435132095 XVGYTTFJGODGCY-KRWDZBQOSA-N 401.463 1.785 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CCCC3)C2)cc1=O 1456432476 KQZIUTLJHYIZMX-QGZVFWFLSA-N 407.474 1.564 30 10 HDEE C=CCn1ncc2ccc(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)cc21 1456531573 FJRRVGVIOREIDK-FQEVSTJZSA-N 411.506 1.874 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CS[C@@]4(C)CCC(=O)N34)c2C#N)C1 1461785403 GZQXGGGHEIRLNL-UGSOOPFHSA-N 404.517 1.917 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C#N)C3(SC)CC3)C2=O)cc1 1462375242 FHJCAQHNYZTDFF-HNAYVOBHSA-N 416.503 1.708 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNc2ccc(S(C)(=O)=O)cc2)c1OC 1464937645 BEDMFWTVCXYDST-INIZCTEOSA-N 403.460 1.900 30 10 HDEE C#CC[C@H](NC(=O)c1cnn(-c2ccccc2)c1I)C(=O)OC 1468875251 JRUCRSSZIOZDMG-ZDUSSCGKSA-N 423.210 1.772 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC1CCCC1 1472285515 ZTUIHNRAGAISPK-RHSMWYFYSA-N 421.519 1.711 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C(=O)OC 1475240157 NQDMSSLOCJGQHI-LLVKDONJSA-N 410.370 1.210 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1475245672 AIHLHHFCYPRBSP-JYJNAYRXSA-N 404.529 1.523 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@@](C)(=O)c2ccccc2)n1 1475261964 RHZCLLQAXHZZDQ-SANMLTNESA-N 410.521 1.366 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1507570820 VXXMBSMBWZLXLI-KRWDZBQOSA-N 400.527 1.699 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)c1ccccc1 1507651193 GKRLNEPGQZQFCH-UHFFFAOYSA-N 419.510 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1cn[nH]c1 1507672651 GOTAUNADFPCGBM-UHFFFAOYSA-N 407.503 1.698 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCOCC1 1507673040 NRIKBNSKWHITJT-UHFFFAOYSA-N 423.565 1.713 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1507711408 UQXGHPGFHKTMNK-SFHVURJKSA-N 419.570 1.757 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC(C)C)CC1 1507738098 JSKWXBPSJFRAAE-UHFFFAOYSA-N 411.510 1.516 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507743979 MBHLTGYYVWDTFH-HUUCEWRRSA-N 416.555 1.690 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1507967807 KLKTZRGKSHCVPI-CQSZACIVSA-N 420.539 1.712 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](Cc2ccccc2)C1 1508071721 LNLWTJOFTWCQLL-LJQANCHMSA-N 422.533 1.885 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508093174 BJJNOXHMZHHZRZ-IAGOWNOFSA-N 400.527 1.560 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1510322454 BCFLXYGNMBAZBL-LBTNJELSSA-N 411.503 1.437 30 10 HDEE Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511869024 JQUWNTMSEDDRFN-HEWTWTGNSA-N 402.499 1.897 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1516733502 OVTIVKLEOGBCHY-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1 1517075232 UKJZAXPMBBGGFQ-UHFFFAOYSA-N 412.494 1.819 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(F)cc2OCC#N)[C@H]1c1ccnn1C 1518860521 QRGAHLKWCIJVOG-MSOLQXFVSA-N 401.398 1.389 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1526525594 BSSDOTSLSYLNEH-CVEARBPZSA-N 422.503 1.871 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CSc2ccccc2O1 1529660058 BXRNZWIHSVUMAZ-CYBMUJFWSA-N 417.512 1.785 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1530040336 XALCNSGGBBQIDC-AWEZNQCLSA-N 405.879 1.345 30 10 HDEE N#CCn1c(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc2ccccc21 1534499497 MULSBPMDGJKTMG-UHFFFAOYSA-N 403.442 1.327 30 10 HDEE N#Cc1csc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)n1 1536599068 PNNWVVPSPMUSNT-UHFFFAOYSA-N 408.480 1.871 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1539063771 UTSDEEAYFFYTHZ-UHFFFAOYSA-N 405.510 1.907 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC 1539350672 UQQJCXSFAMLZIL-UHFFFAOYSA-N 403.508 1.286 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCOC[C@H]2CCCO2)CC1 1539466757 FVTKRAAVJLEMHI-LJQANCHMSA-N 417.554 1.953 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540013141 LJAPOHWVXOIHLS-CQSZACIVSA-N 423.564 1.859 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540040017 MCOQEPPZRSWLSM-SFHVURJKSA-N 419.551 1.870 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1541678638 FXGXFXGKHIHSAB-CVEARBPZSA-N 403.531 1.265 30 10 HDEE C#CCCN1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1542570919 ZGJPPJMFCYMNGL-UHFFFAOYSA-N 403.826 1.921 30 10 HDEE Cn1nc2c(c1C(=O)N1CCCN(c3ccccc3C#N)CC1)CS(=O)(=O)CC2 1542828718 ZSQDJAKBUKZTMF-UHFFFAOYSA-N 413.503 1.115 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2cc(C#N)ccc2F)c1 1545772305 USNAGSUQNCHGQB-UHFFFAOYSA-N 406.439 1.916 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCS2)CC1=O 1554362923 AGHODXWGGVJSMA-QGZVFWFLSA-N 412.519 1.903 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3C)n2Cc2ccc(C#N)o2)CCO1 1554448413 PKWXLFIRSCMBTI-IBGZPJMESA-N 420.473 1.642 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCO1 1555557196 PNPIVFUYSJXDEF-OAHLLOKOSA-N 416.482 1.941 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)(C)C 1555738454 TVXKTXAQTYYAQN-IRXDYDNUSA-N 418.542 1.904 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cncc4nc(C(F)(F)F)[nH]c34)CC2)c1C#N 1556216980 LKEPZQUEJUCIEZ-UHFFFAOYSA-N 418.383 1.853 30 10 HDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 1556538614 CABKPUWFFCIWNJ-SJORKVTESA-N 407.474 1.082 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CC[C@H](C(=O)Nc2cn[nH]c2)C1)c1ccccc1 1556698913 HDZGIGSIVVUXOY-INIZCTEOSA-N 408.462 1.924 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 1557718231 ITVNNMPBXRVOOS-IBGZPJMESA-N 411.487 1.691 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)CC3(C#N)CCOCC3)C2)nn1 1558101808 AGMZFKIVZABHKC-UHFFFAOYSA-N 404.471 1.397 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1558603956 DOLNWCRSMHEERH-BBRMVZONSA-N 405.501 1.887 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)cc1 1561586606 XQZMWZLKWSQJHC-UHFFFAOYSA-N 408.501 1.917 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)nn1 1561675129 CDQQAZLLGOHHTI-UHFFFAOYSA-N 409.475 1.985 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)C1 1565346228 KIZOABCHVGWAHB-VQTJNVASSA-N 412.534 1.714 30 10 HDEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2N1 1565629535 BROKMOPWZXKKSJ-PSHSSLJISA-N 412.372 1.447 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1567313102 PZKRHZIITZNRNW-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCn1cnc(C#N)n1 1568735603 AHESLSOYCNNEDY-GOSISDBHSA-N 421.461 1.672 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3C)cc1 1569241643 XKTNUCUUXIOQCA-UHFFFAOYSA-N 404.426 1.854 30 10 HDEE C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1584786949 FTINMAAEPIPUOK-VGSWGCGISA-N 404.426 1.960 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1585082154 KHGHOGSUKUTOKR-WMZOPIPTSA-N 422.445 1.097 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NOc2cccc(C#N)c2)CCCC1 1587205485 VXNKONQOKBGDED-UHFFFAOYSA-N 404.448 1.864 30 10 HDEE C[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Oc1ccccc1Br 1587573798 CVTRGVPCUUCUJD-JTQLQIEISA-N 407.224 1.167 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1587672781 GOEDRPBWMJIFPH-INIZCTEOSA-N 405.524 1.515 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1588074805 SIZDBRQMDCSTAP-IAGOWNOFSA-N 422.551 1.573 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588075076 WWPORKCXYVCCJT-XYJFISCASA-N 424.567 1.645 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCOCC1 1588099611 SDYKRSHCEFWGES-QGZVFWFLSA-N 408.462 1.647 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC(F)(F)C2)CC1 1588732795 GGTDVLWEAKPCFW-INIZCTEOSA-N 406.481 1.705 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1594992725 PWQHZVWXRDDURZ-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1595516820 JVOPLRFXFGSWRG-IBGZPJMESA-N 412.538 1.794 30 10 HDEE N#Cc1ccc2nc(NC(=O)c3ccccc3S(=O)(=O)N3CCOCC3)[nH]c2c1 1595733484 CSHKKFBJEIGMNI-UHFFFAOYSA-N 411.443 1.708 30 10 HDEE CCN1C[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1597517728 VMDJGUUTPKSPGK-AEFFLSMTSA-N 420.579 1.986 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 1598177546 CXGCJIDRLOOKPV-IBGZPJMESA-N 423.491 1.047 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1598197555 YCGSJOFBZZALGE-VQIMIIECSA-N 400.439 1.989 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(CCO)cc3)C2=O)cc1 1603580983 FELLQMNHKSJLIS-IBGZPJMESA-N 406.442 1.614 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1610271115 PIOYUWKYMIAIRS-PBHICJAKSA-N 420.514 1.939 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(=O)c1C#N 1611230495 BKBWITNUMUFNPX-YRGRVCCFSA-N 421.295 1.864 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1611251446 CHEAEJBVEMVHGF-LAUBAEHRSA-N 408.543 1.831 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCOCc1ccc(OC)cc1 1616951780 VCZRLCWWCLIJBA-GOSISDBHSA-N 401.467 1.769 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)cc2C1=O 1623801034 KINGAHTZRJGJOR-UHFFFAOYSA-N 421.409 1.608 30 10 HDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)Nc1cc(C)n(CCC#N)n1 1624919245 BJAODGZZYDQCCH-UHFFFAOYSA-N 406.468 1.807 30 10 HDEE C=CC[C@]1(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1626039529 IRVOOCQDMKTVLP-LJQANCHMSA-N 415.556 1.872 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)c1 1627415043 YWNNZIAQSZTQDD-IBGZPJMESA-N 420.531 1.487 30 10 HDEE C=CCN1CCC(NC(=O)NCc2c(I)cnn2C)CC1 1631237016 JOPSJOIMFHOTJG-UHFFFAOYSA-N 403.268 1.474 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)Cc2ccc(OCC#N)cc2)C1 1632417181 BKEOXVMRLWGBMB-NRFANRHFSA-N 414.462 1.775 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 1633522233 CTGKQIBKIQNRBP-HUUCEWRRSA-N 403.545 1.780 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2CCCN(c3nc4ccccc4s3)C2)c(=O)nc1O 1633549913 DWTHLQXASWRGMW-CYBMUJFWSA-N 424.486 1.463 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCC(O)CC3)CC2=O)cc1Cl 1634343491 PSVPCEDRQUQJOX-HNNXBMFYSA-N 404.898 1.528 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]2(OCCO)CCOC2)CC1 1634461082 VGQGPKRSDIENID-UHYCVJNDSA-N 404.467 1.110 30 10 HDEE CSc1nc(O)c(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1C#N 1634511510 XBIYJSRSRRHQRU-AWEZNQCLSA-N 421.504 1.116 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1636778464 VTWRAHDSUXXUOX-NRFANRHFSA-N 415.494 1.628 30 10 HDEE C#CCOCCN(C)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1637870688 PDTMVZOOXJWBMU-UHFFFAOYSA-N 418.519 1.177 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)C1 1638398417 VFHFSESSPKGFJA-IIAWOOMASA-N 407.458 1.235 30 10 HDEE COCCOCCN1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1639560626 QAJPGWZXKXXNDQ-UHFFFAOYSA-N 423.517 1.986 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN(C)CCCN(C)C)ccc2c1=O 1640239568 IVUOXHXVRMUITR-UHFFFAOYSA-N 403.552 1.485 30 10 HDEE CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 1640322522 HCBLLKAQYUFELR-MAUKXSAKSA-N 407.536 1.919 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1640762971 CBDMLQHBOGUQAN-GOSISDBHSA-N 422.279 1.547 30 10 HDEE C#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1642103394 XSYHOYQNOMEMQJ-IRXDYDNUSA-N 401.825 1.944 30 10 HDEE N#Cc1cc(Cl)cc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 1642163324 ONGSIOJGOZPYHW-UHFFFAOYSA-N 408.867 1.410 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N 1642211110 DKTDMJYTNMYCQA-SUMWQHHRSA-N 414.487 1.748 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1643588998 GZBWTRVXLCJEJP-YWZLYKJASA-N 421.881 1.953 30 10 HDEE COC(=O)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 1645566357 ZQNVTJADQZSYPH-IBGZPJMESA-N 400.456 1.771 30 10 HDEE C#C[C@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 1645987281 QWXOBOVGKVFOPA-HNNXBMFYSA-N 400.294 1.767 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NCC1(C#N)CCOCC1 1648678424 CGRCFKCPHZQGQW-INIZCTEOSA-N 405.520 1.983 30 10 HDEE Cn1cc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(O)nc1=O 1650689145 KNHBQTRDPBZALX-UHFFFAOYSA-N 415.881 1.934 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1 1651346600 JSKWYWATMLBVJD-UHFFFAOYSA-N 400.382 1.243 30 10 HDEE Cc1cccc2c1NC(=O)N(CCS(=O)(=O)c1cccc(C#N)c1)S2(=O)=O 1652140211 WBQYJSYGSNTCJK-UHFFFAOYSA-N 405.457 1.877 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1654449258 IQFBLGMOGFGNCF-HUUCEWRRSA-N 419.403 1.629 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC 1660940022 KDFVLXMPANIUTD-IRXDYDNUSA-N 405.513 1.388 30 10 HDEE C=CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1672505803 PQKZNWIUZIWVHC-CYBMUJFWSA-N 401.510 1.238 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1674332829 RZTQEWCSEKFMDL-INIZCTEOSA-N 417.558 1.527 30 10 HDEE C=CCc1cc(CNC(=O)N2CCO[C@@H](CNC(=O)NC)C2)cc(OC)c1OC 1677642174 VYPNRAGSRYNDPX-INIZCTEOSA-N 406.483 1.272 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2nnc(S)n2C(C)C)C1 1679365101 BNAQJQUORHALGP-ZDUSSCGKSA-N 401.558 1.638 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H](OC3CCCC3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1683717713 ZDRNQCTVBDXYSH-NJZAAPMLSA-N 409.430 1.456 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cn(C2CC2)c(=O)nc1O 1683727616 KTSUFDWMAILRIV-UHFFFAOYSA-N 410.478 1.429 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 1684660133 GWMPGBKUMKAQGR-UHFFFAOYSA-N 418.519 1.262 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)CC2)cn1 1684880937 DLWLIPZLEQNYFA-UHFFFAOYSA-N 406.425 1.909 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)nnc2c1=O 1685327395 CDPDYJFALRINIO-UHFFFAOYSA-N 421.461 1.095 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689988817 WSMUKEZMUWLBNG-ROUUACIJSA-N 422.551 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCC2)CC1 1690146846 ZCALLBLGPITEBQ-IBGZPJMESA-N 414.554 1.234 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690309852 MBHBFGCAABINEV-JKSUJKDBSA-N 420.514 1.537 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690674245 UJVQIXIYLIGNIF-LJQANCHMSA-N 420.521 1.913 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1690949722 XOHKKJKROPNCCC-UHFFFAOYSA-N 406.450 1.601 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1691871515 UQVFSSYLFQFQKJ-SFHVURJKSA-N 424.553 1.715 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)C1 1692433697 DKELLWSSQBHSQT-ZWKOTPCHSA-N 413.526 1.369 30 10 HDEE COCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1698071920 SDEYSXRFYHIUFG-ZNMIVQPWSA-N 406.487 1.424 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1698447895 ONIUVSGXEAWBAY-UBENKILGSA-N 418.473 1.493 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705567774 ZKVHEZROMGHLES-OALUTQOASA-N 414.531 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOC2=O)cc1 1705581076 WDKSSZBGZISHHC-UHFFFAOYSA-N 413.441 1.813 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1705583374 WVTQYPCNXSBEOL-HNNXBMFYSA-N 417.560 1.515 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCCC2)CC1 1705639224 JEEFAKCSGBDJDN-LJQANCHMSA-N 419.595 1.906 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1705863573 XLWZMAIZBRBQAG-GOSISDBHSA-N 408.506 1.872 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CCc2ccccc2)CC1 1705905726 FCSKAFHKCVXKPZ-UHFFFAOYSA-N 408.550 1.898 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1705922916 VNOPZYJGTOTATK-OALUTQOASA-N 416.570 1.880 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705942714 BFCSKDZUXGNYIR-FUHWJXTLSA-N 415.567 1.811 30 10 HDEE CCc1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709126606 BUPNYKBWIFHICD-HNENSFHCSA-N 401.515 1.287 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711401205 KNMRZZZNWPCUEY-RBUKOAKNSA-N 424.505 1.758 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722335126 BIFBKPDAACWBFP-CVEARBPZSA-N 424.509 1.040 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722364810 AZSSANPTXOXOMG-FGTMMUONSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365463 DRGPGYDQZQPCNC-MSOLQXFVSA-N 404.536 1.909 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1722368690 UXILWNZIHSSTHN-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C1CC1 1722407362 IZSHUAOWNCRNBA-MRXNPFEDSA-N 405.510 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](COC)C1 1722695916 VCEHLIZFKZSWAJ-AWEZNQCLSA-N 423.876 1.891 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccn1 1723940455 CGQMOJCYSQDNJT-HNAYVOBHSA-N 417.539 1.656 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1727835108 ILKMIXMNSHLUKS-VGSWGCGISA-N 424.505 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1740552970 POUZHPJISMCAPT-CVEARBPZSA-N 415.519 1.667 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740588907 JFGIRPFOIWELNE-QGZVFWFLSA-N 413.551 1.730 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N(CC)CC)cc1 1740610142 ZOXYHTLEUHIMQW-GOSISDBHSA-N 408.506 1.829 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628324 PIFWIXZWSMIPLC-ROUUACIJSA-N 423.583 1.173 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740638492 JUXXOILJSUOXTA-HOTGVXAUSA-N 414.510 1.463 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(C)CN(C)C2=O)CC1 1740691429 CTUSBFHPKVZSJF-FQEVSTJZSA-N 413.913 1.227 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1740692424 KMIANUKUIXQZCO-UHFFFAOYSA-N 407.566 1.160 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1740763058 YAPPMHDVPMXQCB-SUMDDJOVSA-N 416.526 1.315 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1740771957 PISWQKALZFOLNO-OAHLLOKOSA-N 405.528 1.562 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740888196 QUONIJOECMGRNR-OKZBNKHCSA-N 424.567 1.636 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)N(C)C 1741862409 HNABLXOPTJGSOI-OPAMFIHVSA-N 423.521 1.395 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(N(C)C)c1 1741904064 HRORSAHDCFDPDC-CABCVRRESA-N 419.555 1.741 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H]1C 1746373152 GTDZIRIITPJECI-CVEARBPZSA-N 405.510 1.912 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1748765801 UXELFSFZJSSXHM-MANSERQUSA-N 404.511 1.800 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1748789997 DAFGSQBPBRUZSW-KRWDZBQOSA-N 415.519 1.048 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(CC)n1 1748826569 VMJWBEXKUNDFCZ-ZDUSSCGKSA-N 406.537 1.028 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(C)C 1748891821 GSTCYZRGWQBTSG-QRVBRYPASA-N 418.563 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1748907444 KEKFKZILIDKRHD-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1749445646 UMCFLJRITPENCC-UONOGXRCSA-N 403.574 1.423 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749731948 OCAMEEPBIMDXEK-HOTGVXAUSA-N 421.567 1.989 30 10 HDEE COCCN1C[C@H](Cn2c(CC3CC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1749864605 CLDMSFUBEDNMFU-UTKZUKDTSA-N 400.527 1.856 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749925570 PYMCTQVIYUDMPB-UHHPSXQGSA-N 415.498 1.033 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1750079350 PRZCHLDBEWDWBO-LLGFUMIMSA-N 416.526 1.725 30 10 HDEE C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1751237668 CKEHKWXJKOVERS-UTKZUKDTSA-N 410.478 1.151 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1751653126 UDJCHJHIDAXJKM-MSOLQXFVSA-N 424.505 1.809 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1760111499 NQKSYVAHZTXHRF-AWEZNQCLSA-N 401.467 1.395 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1760113993 DNLSCUIOHDVLRX-QFBILLFUSA-N 403.490 1.980 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1760138297 VXXOGTXBXIJZML-LJQANCHMSA-N 416.547 1.983 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760188677 LLVOEMVBSUMLSG-VQIMIIECSA-N 423.608 1.220 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCN1CCOCC1(C)C 1760221324 RNTFEBWYAAKHAA-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C=C(C)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760349207 DHSCRNJAYLKUSD-NRFANRHFSA-N 418.542 1.889 30 10 HDEE C=CC1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nnn(C)n2)CC1 1760398228 QCOYWCZYRJCKMZ-UHFFFAOYSA-N 410.482 1.937 30 10 HDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1760400439 AZUOZLMQANCUAV-UHFFFAOYSA-N 421.505 1.731 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760440496 LFNLJXQPXQWKSY-SJORKVTESA-N 402.543 1.537 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1760464458 HZFMNAYKKWSEEF-GDLZYMKVSA-N 415.567 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCC1(C)C 1760520835 BBWPZRPQKLLHDW-UHFFFAOYSA-N 421.505 1.873 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccco2)C1 1760522399 SGHALANWFXJLSW-HUUCEWRRSA-N 419.507 1.069 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccccn2)nnc1[C@@]1(OC(C)C)CCOC1 1760528123 SNYBNZZBOBTJBW-OAQYLSRUSA-N 414.510 1.652 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760562499 LMBPPMKLNGRXKI-HZPDHXFCSA-N 401.540 1.845 30 10 HDEE CCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1767649940 HULQORHVFIQELG-GOSISDBHSA-N 422.493 1.711 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1769453550 GJEXWNGZILOYOW-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCO)CC1 1770754531 XUOMWQDVMXKCDO-KRWDZBQOSA-N 409.556 1.863 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)CC1=O 1850570886 VSWUWTBGUYXVRX-YWZLYKJASA-N 408.458 1.987 30 10 HDEE C=CCN(CC(=O)N[C@H]1CC(=O)c2cc(OC)c(OC)cc21)[C@H]1CCN(C)C1=O 1851727752 POYIZWYRJXYMSI-HOTGVXAUSA-N 401.463 1.166 30 10 HDEE N#Cc1c(NC(=O)CN2CCOCC2)sc2c1CCN(c1cccc(F)n1)C2 1851925768 HVHDTMNRMWTUFC-UHFFFAOYSA-N 401.467 1.987 30 10 HDEE N#Cc1cn[nH]c1C(=O)N1CCN(Cc2ccccc2I)CC1 1852420909 XPCAVZGUZKQQDN-UHFFFAOYSA-N 421.242 1.844 30 10 HDEE N#Cc1c(F)cccc1NC(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852692366 ZXLIVFXPNFSMNH-JTQLQIEISA-N 408.377 1.745 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C4CCOCC4)C3=O)CC2)CC1 1853744122 YGONDQROHBPHTO-IBGZPJMESA-N 416.522 1.015 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1853746440 KAARLSJGFGPUNM-QZTJIDSGSA-N 400.523 1.778 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)COc2ccccc2F)CO1 1854018505 UQOBWOUBAXXBQS-CQSZACIVSA-N 406.391 1.624 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854023794 GMKXOZHMHMBVMX-HNNXBMFYSA-N 413.455 1.385 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC(C)C)nc2)C1=O 1854166602 IDJVASHASBFUCM-DLBZAZTESA-N 400.479 1.329 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2cc(F)ccc2F)C2(CCCC2)C1=O 1854442567 SYCYSBIYTMXNOD-UHFFFAOYSA-N 411.430 1.692 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4nccnc4c3)C(=O)C2)C1 1855045033 BEGCYHSNFUHJCY-WMZOPIPTSA-N 406.490 1.681 30 10 HDEE Cn1cc(CC(=O)N2C[C@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)cn1 1855842494 GETUAOGHBHZWSW-IBGZPJMESA-N 405.502 1.895 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC[C@H](Cn4nccn4)C3)CC2=O)cc1 1856162299 XQKIVVKZXXQREY-VQTJNVASSA-N 406.490 1.480 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2=O)CC1 1856508039 XGNBZHSGWKFLBJ-MSOLQXFVSA-N 411.568 1.750 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCCc3ccccc3)C2)CC1 1857042133 SCTOVIXCAYIPBD-LJQANCHMSA-N 417.531 1.950 30 10 HDEE COc1ccc(NS(=O)(=O)c2ccccc2C#N)cc1N1CCCS1(=O)=O 1858069441 PNQRXNDTIYRVSG-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)n3ccccc23)c1 1858241931 LPZQUDSANZHUCE-HNNXBMFYSA-N 423.454 1.375 30 10 HDEE Cc1cc(O)nc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859428353 WLINNHTZYSLVAC-OAHLLOKOSA-N 405.462 1.376 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(F)cc2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870002908 ZOOYBVIOYBUOOG-MRXNPFEDSA-N 419.482 1.629 30 10 HDEE C[C@H]1CC[C@H](C=O)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2034577529 LHENEWQGUSXORN-LSDHHAIUSA-N 406.504 1.938 30 10 HDEE CC1(C)CC[C@@H](NS(=O)(=O)N2CC(C#N)C2)[C@H](CNC(=O)OC(C)(C)C)C1 2174782035 LYCPKWOLNZPBST-LSDHHAIUSA-N 400.545 1.996 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)cc1C#N 2174787357 SPXBUSDQIVWESM-LJZMDLFKSA-N 416.525 1.961 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@@H]1CC(F)F 2177301820 XIRCOZXVILERMP-OLZOCXBDSA-N 408.471 1.653 30 10 HDEE C[C@@H](NS(=O)(=O)C[C@H]1CCCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625951 DROZNRFYDFCJIK-VXGBXAGGSA-N 402.347 1.602 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2195306996 LWEXJHNPDPWFFH-SOZUMNATSA-N 402.513 1.538 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548732 TXMZHXKYCCRBCC-UHFFFAOYSA-N 409.336 1.584 30 10 HDEE CC[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247781774 OEHZNWIWVUFCAA-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1 2247836841 JAPXCTXYDBCPBS-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2247846011 YOTLOLLEXSXYFZ-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1 2247852648 XMXVOFBNWYQWLE-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE CC1(C)OB(C#CC(=O)N2CC[C@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2247930929 KTDCTYXAPLMCSH-GOSISDBHSA-N 414.233 1.928 30 10 HDEE C#CCN(CC(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258138936 QBCXNPKBEGAYNF-KRWDZBQOSA-N 410.492 1.375 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCN3CCCO3)cc2Cl)OC1(C)C 2282319351 RVBZDRQSJCGMSD-UHFFFAOYSA-N 422.765 1.616 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282498558 GITHUYLMKNLKLQ-YMXBGEKHSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(CO)CC3)c(Cl)c2)OC1(C)C 2282499909 GMHVFPAVDIUPMS-UHFFFAOYSA-N 401.721 1.690 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2COC[C@H]2F)OC1(C)C 2282503968 IGLTZUJTTMOPHI-OLZOCXBDSA-N 405.684 1.654 30 10 HDEE COC(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828122 IZLUTPVSTXMLLN-SNVBAGLBSA-N 403.693 1.479 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1 2282835915 CCVJAPOPNBHPGT-TXEJJXNPSA-N 401.363 1.234 30 10 HDEE CC(C)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848094 IZAXUYRVRDNVQC-IUODEOHRSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCCC[C@@H]3CO)s2)OC1(C)C 2282848921 UKWGMFKBQQLMTE-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(F)CC(CN)C2)OC1(C)C 2282858820 CXWXIXGLRJCXDG-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE COC[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282864398 FPNVYHDLEHRPRQ-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC(CO)CC2)OC1(C)C 2282867506 ZZSTZFSASDKWBP-UHFFFAOYSA-N 401.359 1.581 30 10 HDEE C[C@@H]1CCOCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882832 RITCXMNMUAQMCE-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284396662 DYVOTXWUMVMLAF-NSHDSACASA-N 401.315 1.451 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@]2(C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284412568 CVSUCAONLKAFHN-MRXNPFEDSA-N 401.315 1.593 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284413133 HCKDIVJOZJRRFJ-GXSJLCMTSA-N 407.294 1.445 30 10 HDEE CO[C@@H](CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)CC(=O)O 2284456699 RYOSYQNIKOWVRZ-SECBINFHSA-N 403.693 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CO[C@@H]1C2 2298461243 LFIPUCSNHWQAFU-PZPWOCDFSA-N 420.315 1.810 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2329045326 LAKCCIKCMUIOKW-CQSZACIVSA-N 419.507 1.770 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363694671 PHYWIHSWFDPGBR-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)c1cn(C)nc1I 2365196122 JCFQCURWPARDBX-NSHDSACASA-N 409.293 1.502 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365202894 GRSKYSNYUYAJGR-PMPSAXMXSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2365204916 PSYCEEFLDLIHBF-HNAYVOBHSA-N 402.557 1.817 30 10 HDEE Cn1cc(C#C[C@H](OCC(=O)O)c2ncc(I)s2)cn1 2366043399 BEENCKASLJCUIH-VIFPVBQESA-N 403.201 1.675 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 2367796418 ILMWSJLPSXBGSN-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)CO2 2368945301 KDVMQRDJWSDPSZ-XTDOFWJNSA-N 400.541 1.460 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2370692271 AOULOIRZGUCSDC-QCUYGVNKSA-N 402.557 1.537 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 21620476 AXMHTFZFWXITQJ-JDOHZRFVSA-N 404.507 1.399 30 10 HDEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC)CC1 36211648 UUYRYDKJDPRNHY-LJQANCHMSA-N 401.463 1.465 30 10 HDEE N#CC1(NC(=O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)CCCC1 46658848 AVMBFASNQIXOOG-UHFFFAOYSA-N 407.390 1.443 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCNS(=O)(=O)c1cccnc1 63250390 NDKPIJDFXNTFTM-UHFFFAOYSA-N 404.448 1.873 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@H]3c3cccnc3)N2)CC1 72444664 RRYSRZNFCOQUHZ-HUUCEWRRSA-N 422.445 1.248 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@@H]1c1ccnn1C 440229959 FLBZXMYGUJZKPJ-QGZVFWFLSA-N 418.461 1.873 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@H]1CCOC1 461557816 IAQXXNHDFUEISX-HZPDHXFCSA-N 420.477 1.951 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)cc2)c1N 463061226 NXICNBDIGSMMMD-UHFFFAOYSA-N 421.436 1.627 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 465946540 CTMMAZQTMSRBJF-QGZVFWFLSA-N 403.483 1.880 30 10 HDEE COc1cc(C(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc(OC)c1OC 476546403 VOCBFGCRNIUVPP-OAHLLOKOSA-N 401.394 1.962 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1C#N 489100851 JTNPPCSQHFOHSV-UHFFFAOYSA-N 418.906 1.991 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(OC)c2)CC1 508825956 MHHBSHQFTVGIRI-GOSISDBHSA-N 413.478 1.523 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC1CCS(=O)(=O)CC1 509007559 QQZBJIAPJNIFRW-UHFFFAOYSA-N 403.508 1.482 30 10 HDEE CN(C[C@@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1)S(C)(=O)=O 509169448 QHHQOGLDJRLWOP-AWEZNQCLSA-N 403.501 1.131 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)COc3ccc4c(c3)OCO4)cc2C1=O 518683863 YJQXKLCECFQQRU-AWEZNQCLSA-N 424.409 1.367 30 10 HDEE N#Cc1cc(C(=O)NCC(=O)Nc2ccc(I)cc2)ccn1 518803019 DFGLBWPGKWHLJP-UHFFFAOYSA-N 406.183 1.926 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 525265799 PUQPYTXUBFGUIR-MRXNPFEDSA-N 409.467 1.426 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N(C[C@@H](C)C#N)C1CC1 533600230 HOZKDCZLYPBNSA-HNNXBMFYSA-N 406.552 1.989 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 559025941 JBTIIWDXRUROHJ-MRXNPFEDSA-N 417.514 1.703 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc(CC#N)c2)CC3)CC1 559241143 HYRRGMONTAQICR-SFHVURJKSA-N 420.517 1.329 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 560810695 CFWOYZYYMFXELJ-MRXNPFEDSA-N 406.508 1.318 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 564381548 XMTXYVPPLIQEFB-YOEHRIQHSA-N 403.508 1.878 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 565448947 GEAMBVIETXAHCY-UHFFFAOYSA-N 420.516 1.550 30 10 HDEE N#CCc1ccnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 565867859 NIFHUUHSFPECAR-ARFHVFGLSA-N 404.492 1.196 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 569383599 OHJFLZZBPPFXMA-KRWDZBQOSA-N 421.523 1.745 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 576433431 QUFLRFJSJXVDGE-GOSISDBHSA-N 402.524 1.715 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)cc1S(=O)(=O)NCC#N 587425849 VATYWTITMHZNMZ-SMDDNHRTSA-N 405.398 1.589 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 590061689 JPYFKQKLKMRLDC-KRWDZBQOSA-N 408.568 1.530 30 10 HDEE COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1C 609417993 DAHAFSWBCFPKHI-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 611505601 AGZYYOVHXXTHRB-UHFFFAOYSA-N 412.515 1.931 30 10 HDEE CCOc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)cc1 727416025 CUMGWWZDIWSGCL-UHFFFAOYSA-N 423.494 1.918 30 10 HDEE Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732708069 LLZNQUCPZMQMPM-GOSISDBHSA-N 409.490 1.368 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cccc(-n3cncn3)c2)cc1OC 734706559 MLDPUUPLRASJEW-GOSISDBHSA-N 419.441 1.966 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C(C3CC3)C3CC3)c2=O)cn1 734827479 GMDRHTNONUXTTK-UHFFFAOYSA-N 408.527 1.877 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCCC(=O)OC)C1=O 735225714 NDUNJNGHPABVCF-HNNXBMFYSA-N 421.475 1.826 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cccc(I)c2)CCN1C1CC1 739959824 RRMDRBFDJYHIDF-CYBMUJFWSA-N 417.272 1.652 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)CC1 742446712 GXPJKBKSOBXYLT-QGZVFWFLSA-N 404.536 1.446 30 10 HDEE COc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 747443847 LVROVSGAFGLASC-UHFFFAOYSA-N 412.471 1.702 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1C#N 747495961 ZIIQVWRILCRRJF-UHFFFAOYSA-N 422.441 1.294 30 10 HDEE COc1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1OC 766283857 XYECZGPWYLTBGG-ZDUSSCGKSA-N 404.444 1.986 30 10 HDEE COc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)c(NS(=O)(=O)C(F)F)c1 769667091 MUTPDIMIQDVZGS-SNVBAGLBSA-N 423.463 1.972 30 10 HDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Cl)s1 770685439 OPVABXFTMNGAAD-SNVBAGLBSA-N 409.942 1.166 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 772739089 BHXXTMPWEPPOGH-NERIXLHVSA-N 406.483 1.807 30 10 HDEE C=C(Br)CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 776037981 AZISKCOPQFCHLH-HOTGVXAUSA-N 407.312 1.793 30 10 HDEE Cc1cccc(CN2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780204338 GTXFXLNPKYRAGW-QFIPXVFZSA-N 407.470 1.788 30 10 HDEE CC(C)[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 780209104 HFEOTDZAAZJLED-RBUKOAKNSA-N 423.473 1.298 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1 780882617 JSOISIXMJYPRJC-LJQANCHMSA-N 406.442 1.568 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1cncn1Cc1ccccc1 782606294 WJIDOHSNGCACJC-UHFFFAOYSA-N 410.455 1.825 30 10 HDEE N#Cc1cccc(CC(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)c1 797550799 ZEISBRXCWSCRMX-UHFFFAOYSA-N 400.456 1.865 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCc2nnc3n2CCOC3)cc1 797845859 BXVRHHDVPFLHMZ-UHFFFAOYSA-N 402.455 1.670 30 10 HDEE COC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CCCC2 798744177 QNOTZOSAVBIHJN-JTQLQIEISA-N 417.447 1.620 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cc2nc[nH]c12 800490823 OPSRUWSAEQUYSE-PEZBUJJGSA-N 404.224 1.582 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](F)(C(=O)OC)C1 800788027 TZHLSWMZUKPTEH-HXUWFJFHSA-N 417.441 1.982 30 10 HDEE COCCn1c([C@H]2COCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 802471050 ICTXMVALNVZBHE-LJQANCHMSA-N 413.478 1.932 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCCc2ccc(OC)c(OC)c2)cc1C#N 803329795 CDJPXEDGISLJGG-UHFFFAOYSA-N 411.458 1.949 30 10 HDEE C#CC[C@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 809710934 DIQOGLZMCMQGQV-QVKFZJNVSA-N 418.494 1.274 30 10 HDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812028399 IKUOHNIHDOAWGK-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C[C@@H](OC(=O)c1cscc1C#N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 814611581 USJOLWXUIXUCSP-LLVKDONJSA-N 407.473 1.171 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1nccs1)C(F)(F)F)c1cc[nH]n1 818322793 ULAQJWNBPKCLAX-NSHDSACASA-N 405.358 1.570 30 10 HDEE CN1CC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 849490760 PJTXOCBTZKNHKU-FKBYEOEOSA-N 406.534 1.864 30 10 HDEE C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 1077996381 BZQDHZDSIXPDSS-CGRMTHRGSA-N 422.430 1.187 30 10 HDEE biogenic CN1CCN(Cc2cccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)c2)CC1 1115985612 QWEIFJCZHSXUAD-UHFFFAOYSA-N 402.495 1.923 30 10 HDEE COc1ccccc1-c1noc([C@@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)n1 1116184131 BYSOPJNTQCSVGF-JFLJVCDGSA-N 411.418 1.839 30 10 HDEE C[C@@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1124864460 YDQNTBAMDZYVMD-HNNXBMFYSA-N 400.479 1.984 30 10 HDEE N#C[C@]12CN(C(=O)Cc3c(F)ccc(Br)c3F)C[C@H]1CS(=O)(=O)C2 1134649804 MPUUZOXBKLTOSR-BJOHPYRUSA-N 419.247 1.667 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nc2ccc(Br)cn2c1F)C(=O)OC 1139175803 MFDPZPPAKNQAMQ-SNVBAGLBSA-N 400.204 1.710 30 10 HDEE CC(=O)NC[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1142579000 JGVMGXHRWOTPII-FUHWJXTLSA-N 411.462 1.138 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(-c3ccccn3)cs2)cc1 1143729382 COWGTXLYESBSEG-UHFFFAOYSA-N 413.484 1.671 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1146221293 PABSEGUWUCTHJB-MSOLQXFVSA-N 415.490 1.630 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1147283840 VAVSCVHCWAAATB-KRWDZBQOSA-N 404.308 1.970 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCN1CCC2(C1)OCCO2 1148299875 BPQBBPVMHKGKPG-UHFFFAOYSA-N 410.268 1.265 30 10 HDEE C#CCN(CC(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1151072372 VAVJDUBNQZCQPK-HNNXBMFYSA-N 411.499 1.609 30 10 HDEE CSc1nc(O)c(C(=O)N(C)CCOCCNC(=O)OC(C)(C)C)cc1C#N 1151079164 SOYFIFPSMYELLX-UHFFFAOYSA-N 410.496 1.994 30 10 HDEE C#CCC1(O)CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1153263073 ZDSLBCNCOURDRG-UHFFFAOYSA-N 414.321 1.990 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1170280146 BECYKKGMRLAVIR-CABCVRRESA-N 415.437 1.675 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](C3OCCO3)C2)CC1 1176209575 GUQFFKKTUJNXGR-HKUYNNGSSA-N 402.470 1.229 30 10 HDEE CC(C)C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N(C)C(=O)OC(C)(C)C 1179656029 MQRCJTWQHYCZGI-YZVOILCLSA-N 413.540 1.665 30 10 HDEE Cn1c(N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)c(C#N)c(=O)n(C)c1=O 1187224137 CWMPCVRCAKWPIJ-ZIAGYGMSSA-N 405.252 1.030 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2cnc3cc(Cl)c(Cl)cc3n2)CC1 1187438378 UDEYEARNFVXPLE-UHFFFAOYSA-N 400.291 1.526 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1S(=O)(=O)c1ccc(C#N)cc1Cl 1213137763 GKGJKGDDPXYWNF-YPMHNXCESA-N 400.840 1.327 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286395313 ZQUILZAMLHNRJL-SFHVURJKSA-N 419.595 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1286404341 QIMCRMJSSGQAGA-LJQANCHMSA-N 421.501 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCC1 1286420767 JLPWABKMXPABFQ-UHFFFAOYSA-N 412.515 1.727 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1286483996 CIODRAKQDICJAA-UHFFFAOYSA-N 408.506 1.647 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCCC2)CC1 1286490427 VJEBVXAHEFIELW-GOSISDBHSA-N 423.565 1.971 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1286673497 XZJOWDZJRSUCSL-HZPDHXFCSA-N 424.571 1.809 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1)C1CC1 1286736387 DOTZBPHIMFMIGU-CYBMUJFWSA-N 406.512 1.523 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H]1CCOC1 1286794026 TUCDKXUJJCSLKF-LZLYRXPVSA-N 405.543 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)OC)C1 1286825186 MZCHOBVHVIHDER-LSDHHAIUSA-N 412.512 1.120 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286836136 IBBDCHZXKPQSCK-KXBFYZLASA-N 423.539 1.490 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1293587190 MLWBRUDQAJBMPS-ZDUSSCGKSA-N 423.470 1.209 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1295430263 ODRVTHIGLJGAIX-MRXNPFEDSA-N 406.280 1.759 30 10 HDEE Cc1ccc(C(=O)NC[C@H](CO)Cc2cnn(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1297760245 DYSKMEXHBAFYRN-QGZVFWFLSA-N 413.327 1.609 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1298326820 AGTBJUVNKORZDN-SJORKVTESA-N 421.505 1.652 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1300308513 POIJELAWVWQDKL-HOTGVXAUSA-N 421.567 1.287 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1300381103 OAGVCZNAVVYTEP-DZGCQCFKSA-N 421.527 1.377 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482667 GWSVVSKVBKCTAR-MKSNKDDYSA-N 408.524 1.138 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1300487276 IPCYIPXOJNXBHK-SJORKVTESA-N 413.503 1.312 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1300596345 QSGNMHQWIJCFEG-UHFFFAOYSA-N 408.506 1.772 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1300602442 RFLFTIFUQVXBBR-IRXDYDNUSA-N 410.588 1.612 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1301091981 QOJWRDYTVQFMDX-UHFFFAOYSA-N 422.489 1.744 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1301251413 CVZGHEGWNKBQCE-QGZVFWFLSA-N 411.510 1.544 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2COCCO2)C1 1301542631 DHOYJWRPUKWWGS-LVCYWYKZSA-N 422.526 1.515 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCSC2)C1 1301557978 YLIBURLLHGHVCX-PXNSSMCTSA-N 401.536 1.913 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C)C1 1301584717 CNDLCWVQQXDDCI-CQSZACIVSA-N 421.523 1.843 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC(Nc3ccccc3C#N)CC2)c1 1301625696 RAVIFUBVUIIXMF-UHFFFAOYSA-N 401.492 1.853 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NOc2cccc(C#N)c2)C1=O 1302373746 MVPUJPHDIHSXOA-INIZCTEOSA-N 402.451 1.732 30 10 HDEE C#Cc1ccc(NC(=O)CCN(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1307797717 TYHCXEOXMACGBR-UHFFFAOYSA-N 414.531 1.712 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCSC(F)(F)F 1316297477 LAMJDVHYVCLAOV-AVGNSLFASA-N 421.445 1.984 30 10 HDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 1323955200 RBLKIWIAOWDVCL-ICSRJNTNSA-N 416.478 1.537 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1336436170 VCRFDSUDSPHFJU-YJBOKZPZSA-N 415.453 1.826 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 1344090234 QCJQKGYDOMQNKP-LJQANCHMSA-N 423.517 1.507 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1358871432 FLABSGHMMXXMIB-QWRGUYRKSA-N 413.491 1.642 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1358890830 WBZMBAZQLJZIRN-CHWSQXEVSA-N 405.471 1.114 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1358918201 NLECLKIMNYBFDA-LAUBAEHRSA-N 417.510 1.763 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1358918701 DIKAIEWERXOKDN-GOSISDBHSA-N 410.526 1.977 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963826 OQJKZSTUNVHTAY-MSOLQXFVSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CC(OCC)C1 1358976870 VBQVLQUVANYYQJ-UHFFFAOYSA-N 411.462 1.009 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1359002455 ZVSKHRYTYGZKFE-IBGZPJMESA-N 410.540 1.215 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359057014 PZQMEVQFSFVMGR-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1359063599 YQWPDJLIPQXJRL-HRAATJIYSA-N 410.478 1.723 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)no2)CC1 1359165287 MABLDBMDVWGUJU-MRXNPFEDSA-N 422.511 1.112 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCCCC2)C1 1359299616 JUTAPWHNBMVCCY-MSOLQXFVSA-N 402.543 1.539 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1359330498 UFVKYALLDJMJTB-IBGZPJMESA-N 421.498 1.387 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)CCOCC1 1436162499 RNTRQTZZQXVNGJ-UHFFFAOYSA-N 401.573 1.870 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 1439102388 JUURMEHHJUEDQT-NSHDSACASA-N 416.297 1.097 30 10 HDEE Cn1cc(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c(-c2ccc(C#N)cc2)n1 1458853903 IBDUKZPKDXTRHR-UXHICEINSA-N 409.490 1.455 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1 1465517539 CESPWCLUOXODHF-HXUWFJFHSA-N 406.571 1.688 30 10 HDEE COCCS(=O)(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1466175811 GZUBTEZLTURHOG-UHFFFAOYSA-N 409.464 1.417 30 10 HDEE C=CCn1cc(CNC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 1468939313 ORXPZGQTYFRRKU-UHFFFAOYSA-N 418.523 1.258 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(Cc3ncc(C(=O)OC)s3)CC2)C1 1471338222 WZOINDCRANJVQQ-MRXNPFEDSA-N 404.536 1.991 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1 1471695155 QLIBEUHMCWNTHU-KRWDZBQOSA-N 406.891 1.585 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1471832426 DUFYCTHSOQRBBM-LJQANCHMSA-N 405.564 1.864 30 10 HDEE COc1cc2c(cc1O)CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1471907388 ZCVYZYRLNXNERS-UHFFFAOYSA-N 415.471 1.710 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2=O)cc1Cl 1472259707 SYDPPRLLOXHJQF-LZQZEXGQSA-N 416.909 1.622 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C(C)C)cc1 1472328766 RHLWPGXCCAPFJT-QUCCMNQESA-N 403.548 1.933 30 10 HDEE C#CCN(Cc1ccc(CN(C)C)c2c1OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 1474363771 LKEQYCVXFPFULB-HNNXBMFYSA-N 400.447 1.692 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1475292607 HZZBZQBFENJXHG-SNVBAGLBSA-N 412.327 1.458 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 1477909613 VQQMWZQFPMGDMP-UHFFFAOYSA-N 404.555 1.271 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1478404528 SKNWETMSBVQHFD-HRCADAONSA-N 407.515 1.692 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCc3ncc(Br)n3C2)CC1 1479585549 LUFQMRSMBPBMNK-CYBMUJFWSA-N 408.300 1.131 30 10 HDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1492711641 ADXDZWXAPBWIQN-OAHLLOKOSA-N 422.493 1.634 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CC(F)(F)CO1 1499142220 XPHPWHUZDBVAPD-CQSZACIVSA-N 420.468 1.505 30 10 HDEE CCCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1501220056 GBOWSXFAXSLFAS-SFHVURJKSA-N 412.494 1.790 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1504984780 USFDDOJXTPNMGB-GJZGRUSLSA-N 416.482 1.607 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1507617678 YFGOPNXJJAQQSN-YLJYHZDGSA-N 411.506 1.707 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc2n1CCC2)[C@@H]1CCS(=O)(=O)C1 1507621540 BQLPPUWAFUIEDW-LSDHHAIUSA-N 417.539 1.004 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507630257 VTHOUWYNCTVGIY-UZLBHIALSA-N 415.519 1.128 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1507630927 JQUZSRZMSOFKBI-CYBMUJFWSA-N 424.324 1.809 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1507648237 MEUADVFMBZFHOT-GDLZYMKVSA-N 404.499 1.735 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1507665653 QWWOWPNLPYWYMD-FQEVSTJZSA-N 409.538 1.378 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)CC1CC1 1507667190 JVSVDMCEXSBEKQ-UHFFFAOYSA-N 411.531 1.936 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1507688238 WEXCOAWIXCGZSB-UHFFFAOYSA-N 402.520 1.653 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1507699477 HEAOPPFNZPBVLZ-GASCZTMLSA-N 404.515 1.644 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1507974665 DSOKMZZIXQVRSR-UHFFFAOYSA-N 421.523 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1508149437 VBOHOMSVDKWJSI-BXWFABGCSA-N 412.556 1.766 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1510111503 HMALLMUEQBVJDY-PBHICJAKSA-N 419.507 1.101 30 10 HDEE Cc1csc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)n1 1511438851 APNBICJEZVMSTC-HIFRSBDPSA-N 415.523 1.812 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1512551774 DGABCTIOHHKSKI-INIZCTEOSA-N 414.535 1.106 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1517672355 UJSILOFNXLQGMU-SFHVURJKSA-N 424.505 1.978 30 10 HDEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1519070058 QGTHFDOMEPJYFU-CQSZACIVSA-N 406.512 1.433 30 10 HDEE COCCc1noc(CN(C)C(=O)COc2ccc(C#N)c(Br)c2)n1 1519336264 CNELCEYZWAXGCJ-UHFFFAOYSA-N 409.240 1.930 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1521103857 KCZRQIWKJCYJRT-GFCCVEGCSA-N 405.303 1.865 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1524834675 GMNNMVVHOXLLLX-GOEBONIOSA-N 400.522 1.814 30 10 HDEE COC(=O)[C@H](CCC(=O)N[C@](C)(C#N)CN(C)C)NC(=O)OCc1ccccc1 1525356767 SCURGUDKBNTRSK-OXJNMPFZSA-N 404.467 1.195 30 10 HDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC#N 1525372045 BVEQKWQNPWZFTE-HXUWFJFHSA-N 402.451 1.117 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)OCC 1535090926 KGOWWPJNWVAEAA-LIRRHRJNSA-N 407.854 1.644 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C(=O)OC)C1 1536539615 SXPJAVMORSLDDG-IUODEOHRSA-N 423.263 1.816 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1539112448 QYMKFUAFSAOADO-UHFFFAOYSA-N 407.526 1.538 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1539153799 AZDVQCVWROVMRN-INIZCTEOSA-N 415.519 1.333 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@@H]1C 1539239895 SQBJUHITKGBKOI-BZSNNMDCSA-N 421.567 1.556 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539463196 XANNHLSKGVDCGT-HAGHYFMRSA-N 417.554 1.308 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539623032 ZHPUDMLFVSGYDX-BZSNNMDCSA-N 409.556 1.572 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1 1539631367 KYBXYPUFBHYUSW-ZACQAIPSSA-N 405.499 1.652 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1 1539632095 OYMGMSFHPDGYFJ-QYZOEREBSA-N 403.527 1.822 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1539701968 VGUDXOZTIZUUPL-AWEZNQCLSA-N 416.555 1.936 30 10 HDEE C=C(Cl)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1539821319 XSZCTKRASSTGQA-QGZVFWFLSA-N 420.963 1.942 30 10 HDEE COCCNC(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1540568073 MGFPHGARGREEPC-UHFFFAOYSA-N 421.538 1.638 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540854845 HUWJVTCZORZIAW-PBHICJAKSA-N 415.519 1.497 30 10 HDEE C#CCN(C(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1542211055 JLMWPMVAQCDJAF-PMPSAXMXSA-N 400.541 1.965 30 10 HDEE C#CCN(C(=O)c1cc(Cl)cc(Br)c1N)[C@H]1CCS(=O)(=O)C1 1542211376 VVBDHFICBWHGTP-JTQLQIEISA-N 405.701 1.947 30 10 HDEE Cc1cc(C)nc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1546094237 BUUVXIJIEVYIGY-UHFFFAOYSA-N 417.466 1.492 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1554255701 GZAWBBSCVDYKMT-UHFFFAOYSA-N 402.409 1.997 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(C)CN(C)C1=O 1555094033 ZHGNVPJVBKCBRK-YCRPNKLZSA-N 412.494 1.940 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC(F)F)CCO1 1555991914 AKQGZQQAHRZVCX-CYBMUJFWSA-N 421.408 1.326 30 10 HDEE CCS(=O)(=O)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1556437616 JAMPUOUFUJBFQF-OAHLLOKOSA-N 401.529 1.999 30 10 HDEE Cc1ccc(F)cc1-c1nnc(NC(=O)CCn2cc(C#N)c(O)nc2=O)s1 1556447931 CVOPWBDONXZKCK-UHFFFAOYSA-N 400.395 1.815 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)c1 1556452914 GEWXUFPKQITKCV-UHFFFAOYSA-N 402.407 1.816 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 1557199048 JPSWNUMRHLVLJE-UAGQMJEPSA-N 421.519 1.889 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(Cc3nc(C(=O)OCC)cs3)CC2)CC1 1560109201 WBOMVWLBAKNIPL-UHFFFAOYSA-N 418.563 1.352 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C1CC1 1565630124 SHVWQXBETHBZGM-IUTYPILCSA-N 418.494 1.807 30 10 HDEE Cc1cc(Br)ncc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1566036957 YWFGIBFCVDHHIH-UHFFFAOYSA-N 409.265 1.941 30 10 HDEE CC(C)N1CCN(CCCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1568507373 BZXIKAHCYVIGCZ-NRFANRHFSA-N 411.550 1.582 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1569184063 ISUGKVDLEQLDQA-BTYIYWSLSA-N 417.462 1.476 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 1570279932 YAVJJATZRPELAK-YJBOKZPZSA-N 415.515 1.756 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(CC#N)cc1 1570705317 DLFJUFMJGUWTFM-INIZCTEOSA-N 409.508 1.697 30 10 HDEE Cn1cncc1C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1586537448 OBQZVWZDYMYNDA-UHFFFAOYSA-N 401.492 1.632 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCS(C)(=O)=O 1588170299 CWHKOBKUSREOAD-IAGOWNOFSA-N 406.552 1.704 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1588170949 PFSDGEUXDRXXJF-UHFFFAOYSA-N 404.474 1.124 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588619789 FUUDRMPARHDCPD-RTBURBONSA-N 412.538 1.925 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(N)=O)c2)CC1 1588857688 REAGCTLZXLNIFB-UHFFFAOYSA-N 420.542 1.833 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1589232957 BTUDOYJQBLTUCU-LJQANCHMSA-N 423.608 1.601 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1589404864 MUICCUYCRBZWJU-UONOGXRCSA-N 410.316 1.892 30 10 HDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(N)=O)C1 1594788598 PWXMIVZTQHRCDD-HNNXBMFYSA-N 400.439 1.758 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)(F)F 1595296362 DAIRUYCQYQSXSR-CYBMUJFWSA-N 405.421 1.837 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1597958686 FTDZNJTYBCPAGJ-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE Cn1cnnc1[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1598414969 VFODRMGGVOLOGM-CVEARBPZSA-N 407.434 1.255 30 10 HDEE CC[C@H](NC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O)c1ccc(Cl)cc1 1614869768 WMTWWSLSQXHJRE-INIZCTEOSA-N 404.854 1.103 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H]1C 1615857700 QLRZQWUMNWSODO-GOSISDBHSA-N 411.554 1.925 30 10 HDEE CN(C)[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCSC1 1617651361 DGJDZFAIYKKGEV-UZLBHIALSA-N 417.583 1.797 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2COC(=O)N2CCC(C)CC2)CC1 1617785242 ZVMKDBMCPIAFGQ-HXUWFJFHSA-N 404.555 1.487 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CN(C)CCN1C 1628389913 FULVEWWZRLRMQI-JCKWVBRZSA-N 403.914 1.315 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)C1 1630246379 CQMFPGACIWRPJH-LSDHHAIUSA-N 405.296 1.917 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@@H]2C(=O)N(C)CC)s1 1632168370 PVLQCEYKZDHGRV-CYBMUJFWSA-N 417.578 1.135 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CCC1)[C@@H]1CCOC1 1632381309 UOLSFGWAZUFSKT-DNVCBOLYSA-N 405.520 1.827 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](SC)[C@H](N(C)C)C2)s1 1633120893 GUMWRPZDPSZQSP-ZIAGYGMSSA-N 403.595 1.259 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCc2nnc3n2CCCC3)s1 1633210139 DIUJLBUCDWAEDF-UHFFFAOYSA-N 423.564 1.432 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCOCC1 1639064935 BTFAYCGSLAUBAO-QGZVFWFLSA-N 423.535 1.452 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CNC(=O)OCC(F)(F)F)C1=O 1639890286 LWZFFJUOHKNZLU-HNNXBMFYSA-N 410.393 1.977 30 10 HDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)COc2cccc(Br)c2C#N)n1 1640229933 LMDGEEWKPNGLGY-VIFPVBQESA-N 422.239 1.872 30 10 HDEE CN(C)C(=O)OCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1640962431 IVEGNGVFBSTUDB-UHFFFAOYSA-N 410.496 1.100 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCOc1cccc(C(F)(F)F)c1 1642594882 WZVFKAWYQNXXJT-UHFFFAOYSA-N 424.427 1.942 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](N2CCCC2)C1 1643460203 UIWQJUVQZYVNBQ-JZXOWHBKSA-N 418.563 1.883 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C1 1643499181 OPVJZICQYUXGLK-QFIPXVFZSA-N 403.442 1.831 30 10 HDEE N#Cc1ccnc(C(=O)N2CCC[C@@H](n3nncc3I)C2)c1 1644374228 HOIVXFVEDMAURQ-LLVKDONJSA-N 408.203 1.627 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)CC2=O)cc1 1645158174 IOPHFMUMTXYOLR-UNMCSNQZSA-N 418.497 1.794 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)c1 1648181407 DQIORTWUILXVDY-UHFFFAOYSA-N 416.356 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2=O)C1 1648368632 XMSPJDGNSKIANU-QGZVFWFLSA-N 424.501 1.926 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C(=O)OC 1648605056 KNZZRRQSRVGFDA-QXAKKESOSA-N 415.490 1.833 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(C(=O)N4CCCCC4)c3)C2)c(=O)nc1O 1648790244 BPYOMVDAAMZYFC-UHFFFAOYSA-N 407.430 1.144 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221309 VWBJQKAXKXDAGS-UHFFFAOYSA-N 407.382 1.187 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 1651805938 XTBUQCWUXUUZIJ-AWEZNQCLSA-N 406.439 1.010 30 10 HDEE CNS(=O)(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1655475661 FLPXWROXNIKJNF-UHFFFAOYSA-N 422.326 1.023 30 10 HDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(Cc2ccccc2)c1C 1659502584 MWLGGEODXCJALD-UHFFFAOYSA-N 424.423 1.839 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)ccc1Cl 1660393938 XXZDRGXSPZLNJY-INIZCTEOSA-N 413.927 1.641 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 1666627156 VWGBOTKCYGPTRB-SFHVURJKSA-N 408.524 1.187 30 10 HDEE CCCNC(=O)Cc1csc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1674357637 DMSNAMGOIQCZLY-UHFFFAOYSA-N 413.507 1.833 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1676968050 ROIFNDLYLBVMFA-UHFFFAOYSA-N 401.529 1.465 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1689861044 MYXRIWDQMZALMW-RDJZCZTQSA-N 404.540 1.422 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)C(C)(C)C)CC1 1690135180 QMGNPKJWMMXLEF-FHWLQOOXSA-N 419.570 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCCCC2)CC1 1690144351 VYYIHAFUOBQPAG-SFHVURJKSA-N 412.538 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCCO)CC1 1690146317 KYTZTAKKNPBIMJ-SFHVURJKSA-N 403.527 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1690665913 TVCHDIGXYFJSLH-MRXNPFEDSA-N 419.489 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccco2)C1 1690699867 KHSVJJIVTGXHAP-HOTGVXAUSA-N 401.467 1.586 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1693018300 YLJAENGRZQDGPZ-OALUTQOASA-N 424.505 1.639 30 10 HDEE CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1695216369 GMLWIIWUWRKEBV-UHFFFAOYSA-N 408.510 1.907 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)C[C@H]1O 1697066213 VYPHQSIGCBVIBW-ZIAGYGMSSA-N 409.368 1.739 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)nc1 1698058790 NCHMQFQTWNNRIS-UHFFFAOYSA-N 417.901 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705497098 UCRVLRSCGFLDRA-HNNXBMFYSA-N 420.510 1.406 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705569000 BROZNMVZAOVONO-OQRWROFFSA-N 424.592 1.159 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1occc1C 1705581842 MDUIIFYSAFFKAI-SFHVURJKSA-N 409.490 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N(C)C 1705600579 DZVIVVWMQJOLJA-UHFFFAOYSA-N 413.547 1.418 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)CCOC 1705669777 WKMVFCJANVVYLM-NJDAHSKKSA-N 406.527 1.710 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C)CC1 1705901491 NHEWQSKKKZQFCX-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 1706579262 RRPFFYSTQXZKSL-QAPCUYQASA-N 421.505 1.571 30 10 HDEE Cc1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707893519 FQNXNBHZLJIRCO-CCEZHUSRSA-N 407.272 1.602 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)C[C@@H]1O 1712833914 QSDKIGKFQGOYLJ-BEFAXECRSA-N 406.494 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722285291 VDQLVFLSEDXQLF-QUCCMNQESA-N 424.549 1.775 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1722322816 WBIUETLSUHGHAQ-KRWDZBQOSA-N 400.527 1.670 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722360324 GHMFSLFEQSVVNB-HZPDHXFCSA-N 403.508 1.327 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1722382520 HYHKECPVMOFLGF-RBUKOAKNSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(C)cc2N2CCOCC2)CC1 1722438793 CACLKVBWTPAPPZ-UHFFFAOYSA-N 408.550 1.789 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(F)(F)CO1 1722446198 ALEIMUGWFMNDND-ZDUSSCGKSA-N 423.420 1.516 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722503379 CQWFZEDPZVTMJD-UXLLHSPISA-N 405.524 1.878 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722522558 WHQHGOWEAMXHMI-GOSISDBHSA-N 423.521 1.566 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC[C@H]1C 1722693677 WYIKZPQDGQEJKY-OAHLLOKOSA-N 407.478 1.863 30 10 HDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1723019039 HGMLRVVSIKQHLW-HYDGNGQDSA-N 414.535 1.676 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 1723186929 MLOIKXVVOXQQIC-LSDHHAIUSA-N 409.498 1.057 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1723590740 LUENBRYXHYYAGB-IBGZPJMESA-N 405.478 1.165 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)cc1 1724410719 IDTOFXBPNHMTLD-OAHLLOKOSA-N 406.512 1.311 30 10 HDEE CCNC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1728676270 MFTBKNPSIPBUKB-KRWDZBQOSA-N 413.482 1.884 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1740567669 UQPUMPVLRRLNCG-INIZCTEOSA-N 410.588 1.659 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@@H]1C 1740645852 SYKAOTORSWWPNK-XUVXKRRUSA-N 413.566 1.990 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1740674783 SSLBXPHRCKQDJI-UHFFFAOYSA-N 419.551 1.825 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740816278 AFVMPRWUDDPJRT-MRXNPFEDSA-N 410.950 1.873 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@H]2C)CC1 1740833568 SWWAJIYAUWFKPP-HLLBOEOZSA-N 411.572 1.963 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740961187 OBTKOXIJSGNXIP-IAGOWNOFSA-N 411.462 1.594 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1740962256 XFERSQFGZCAGFG-LSDHHAIUSA-N 417.583 1.855 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)C1 1740983720 OFMTUGRMZFBART-AWEZNQCLSA-N 403.508 1.576 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1741117017 SKZKZYVWVQVVOD-QYZOEREBSA-N 421.505 1.499 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1741679516 VXUPBBVXGYHAQS-GOSISDBHSA-N 410.478 1.266 30 10 HDEE CC1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1743122989 BUWNSHFOKLTIHY-GQIGUUNPSA-N 403.506 1.792 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OCCOC 1743783996 RVUGPTFOZMXHTG-WBVHZDCISA-N 400.483 1.989 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1744771483 RKKNJIUKEABOIR-ATZDWAIDSA-N 424.505 1.869 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1744771484 RKKNJIUKEABOIR-AYOQOUSVSA-N 424.505 1.869 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1748639598 JZJMCWXZXPNXSI-HZPDHXFCSA-N 410.588 1.468 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748746007 XKDUTWLTUYXAGQ-FXAWDEMLSA-N 424.553 1.081 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1748846120 CWCAKCWXGJGKPD-IRXDYDNUSA-N 410.499 1.429 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCOC1 1748858647 GGTOPJGPWNYCEG-NRFANRHFSA-N 412.515 1.803 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1748955925 BQESRFLNZGZRIY-SFHVURJKSA-N 411.506 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@@H]2CCCCO2)CC1 1748977397 HRGGZSJXRPGKNH-OALUTQOASA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1748988759 ANELPFHKYLCSIB-GOSISDBHSA-N 408.506 1.566 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1749047600 AGJJXCZLHPQLED-CQSZACIVSA-N 416.555 1.474 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749229265 IKVIKLXQKYKCAR-QZTJIDSGSA-N 402.499 1.477 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749229983 SDZWWXGQYOVPCA-MOPGFXCFSA-N 405.543 1.533 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749450953 YNZPKHZGNILAAF-HOTGVXAUSA-N 404.515 1.256 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)N1CCSCC1 1749487868 RRRBKOWIKHSKSA-OAHLLOKOSA-N 415.585 1.521 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cnn(C)c2)C1 1749693561 KORDZXMNXMXXKC-GOSISDBHSA-N 413.526 1.662 30 10 HDEE C[C@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1752191251 VVSPSKVXOBRLTL-XJKSGUPXSA-N 420.495 1.113 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760161640 MIDMMDYSVSCASA-YVSFHVDLSA-N 412.556 1.673 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1760162602 BLMBHTBXOBOWRO-MRXNPFEDSA-N 411.572 1.945 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1760181197 QXSNMHLGHZWPJJ-OXJNMPFZSA-N 422.551 1.357 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCC=C)CC1 1760258454 MIFILIHMSPBVOB-UHFFFAOYSA-N 415.501 1.551 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1760261882 ROJRAWSVJLLBAC-FQEVSTJZSA-N 416.614 1.859 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2([S@](C)=O)CCC2)CC1 1760273442 UPFPBXWKHHIZHL-LJAQVGFWSA-N 421.567 1.082 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760448398 BHHRPKJARBAGAZ-IBGZPJMESA-N 405.524 1.881 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1760527419 WJYXFMDQSKRKCL-GOSISDBHSA-N 424.505 1.396 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCC[C@H]1CO 1760692909 FFZZQLHEDXTDMY-IXDOHACOSA-N 403.531 1.062 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760694669 YXDFKMIVLRPVLQ-CJNGLKHVSA-N 406.450 1.401 30 10 HDEE CC[C@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1763637014 PXFKACNVIDYCQS-ZDUSSCGKSA-N 406.512 1.823 30 10 HDEE CC[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1764346592 DKHOJMCACHDHSI-FQEVSTJZSA-N 407.482 1.927 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1766862030 PJXXMJPLNVXOCR-UHFFFAOYSA-N 407.478 1.106 30 10 HDEE COc1ccc(COCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1768694715 WQMLDDKYHQBNKP-LJQANCHMSA-N 423.477 1.633 30 10 HDEE COC[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769431554 FPEYSIUDCMFLJO-JVMRMLDLSA-N 416.526 1.866 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(C)noc1C 1770218529 XIXBZAXOJWESLE-UXLLHSPISA-N 402.455 1.384 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1ccco1 1771281417 HNEPDSDHNYXEGB-ZOBUZTSGSA-N 416.482 1.621 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1772564419 XUJGHZQTQZTQAB-JKSUJKDBSA-N 420.539 1.203 30 10 HDEE O=C(CNS(=O)(=O)c1ccc2ccccc2c1)ON1C(=O)c2ccccc2C1=O 1772790383 QTJOIHGTHLZKMK-UHFFFAOYSA-N 410.407 1.873 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 1848477294 AFTFXHWJCKQEPZ-KRWDZBQOSA-N 404.536 1.633 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1849238156 XTYYAGGSRXUVKA-UHFFFAOYSA-N 413.503 1.420 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ccc(Br)nc2N2CCOCC2)CC1=O 1850023220 FZBDGOVWVCAYMC-GFCCVEGCSA-N 409.284 1.654 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC#CCN1CCOCC1 1850069771 DPUZYEHHUYNWEB-QGZVFWFLSA-N 421.563 1.103 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1850296621 ALBQWQANXLSYST-IBGZPJMESA-N 421.538 1.974 30 10 HDEE O=C(NCC#CCN1CCCC1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1850303414 RPUUTWATJXYBCB-UHFFFAOYSA-N 423.966 1.956 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1ON2CCCC#N 1851502124 PEJUKVNNTNTCIL-ROUUACIJSA-N 409.442 1.793 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2)c(C#N)c(C)[nH]1 1851582972 IQRDYNFOPWKHKQ-LLVKDONJSA-N 415.837 1.741 30 10 HDEE N#Cc1ccc(CN(C(=O)c2nccnc2N2CCOCC2)c2cnccn2)cc1 1851717450 NJCLNPFQUAICFB-UHFFFAOYSA-N 401.430 1.822 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1noc(C2CCOCC2)n1 1853739336 PWYPTHROHFBRAV-AWEZNQCLSA-N 409.446 1.708 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)Cc3ccc(OC)nc3)CCC2=O)CC1=O 1853998549 YNJZVZXDEOKLSK-QZTJIDSGSA-N 414.506 1.322 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2OC)C1=O 1854176612 YVJHNCFMNQLSMV-QZTJIDSGSA-N 415.490 1.093 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1854831658 PKMIMVYOCTVWKP-GOSISDBHSA-N 408.462 1.593 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1Cc1ccc(C#N)cc1F 1855019685 USTIPYOKFUKOAM-LBPRGKRZSA-N 417.828 1.779 30 10 HDEE N#CCCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1855552434 FAESSSWZJFZVKP-SFHVURJKSA-N 418.519 1.204 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1855604217 GNJOIVRNBWAQSV-OAHLLOKOSA-N 407.467 1.824 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1F 1857073563 RPJGOTMVHPMWOU-IBGZPJMESA-N 407.449 1.964 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cnc3ccccc3c2)C1)[C@@H]1CCN(C)C1=O 1857273801 AMBLFPNZMCPMFJ-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1857492566 RSKQNSDKTMAISO-MOPGFXCFSA-N 419.547 1.784 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(C(=O)O)cc1 1862559062 GUEYINSCIWXKMC-GOSISDBHSA-N 423.425 1.681 30 10 HDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccccc3)cc2)CC1 1870098014 JCMKHWODAGFOID-UHFFFAOYSA-N 423.502 1.692 30 10 HDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN(C)CCO 1870378008 GLIBKXPXJFWNMK-UHFFFAOYSA-N 411.458 1.133 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1OC 1874432396 DMKGVVUPOVFYFE-UFFVCSGVSA-N 404.496 1.423 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2010398252 UDTCZBQBNWUULM-JXQTWKCFSA-N 423.319 1.463 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C#N)(C2CC2)C1 2108227324 GEURNNAOUSNDQJ-VQTJNVASSA-N 419.478 1.966 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2132083454 KLXOOQNXUJUXAZ-LAUBAEHRSA-N 401.463 1.058 30 10 HDEE CC(C)(C#CC(=O)NCc1ccc(S(N)(=O)=O)s1)NC(=O)OC(C)(C)C 2138153522 VSUAQXNLOLFSOD-UHFFFAOYSA-N 401.510 1.318 30 10 HDEE CN1[C@@H](COc2c(N)cc(C#N)cc2I)CCS1(=O)=O 2144912802 OMAAWLBSIJKLIA-SECBINFHSA-N 407.233 1.158 30 10 HDEE CCOC(=O)CS(=O)(=O)N[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186629997 TXCHOOZKXYLEFC-NSHDSACASA-N 403.331 1.591 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2201817433 VYXYIQKJKJFXJV-VKJFTORMSA-N 401.529 1.870 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2201843896 JKLIXHFIGZYMFI-UONOGXRCSA-N 404.529 1.100 30 10 HDEE CCN[C@@H](C#CP(C)(C)=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388065 GIKNBESHQNMEND-LSDHHAIUSA-N 406.485 1.972 30 10 HDEE CC1(C)OB(c2csc(CN3CCC[C@@H](NS(C)(=O)=O)C3)c2)OC1(C)C 2235431160 MSEYZNXKACQFAS-CQSZACIVSA-N 400.375 1.561 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405850 UDPIGHCAAIPGRB-IUODEOHRSA-N 421.303 1.593 30 10 HDEE CC[C@H](CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355467 UBKGWYOPYRNLTF-JTQLQIEISA-N 409.766 1.998 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@@H](O)C3)cc2Cl)OC1(C)C 2267356469 YJKVZFIGTWFAPG-VHSXEESVSA-N 407.750 1.892 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2267727044 SFFZCOBXRRTZFS-APXPCNQMSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)sc2Cl)OC1(C)C 2281975666 QDIBYFSEJRVSPS-QWRGUYRKSA-N 401.721 1.374 30 10 HDEE CNC[C@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336859 HKHIKKBGGVAYTK-CQSZACIVSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)[C@H](F)C2)c1B1OC(C)(C)C(C)(C)O1 2282415311 GFVOBZUBHUAAEW-NEPJUHHUSA-N 405.322 1.367 30 10 HDEE CC(C)[C@H](N)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282492655 SDGLKOBOZWOGIS-CQSZACIVSA-N 402.753 1.901 30 10 HDEE CNCC[C@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282494882 DRPUFOQPANVCDS-NSHDSACASA-N 402.391 1.940 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H](CF)C2)OC1(C)C 2282496312 YQTJBKRELASMFO-GFCCVEGCSA-N 404.338 1.954 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)[C@H](O)[C@H]3CF)c2Cl)OC1(C)C 2282662785 GDUYTEQJYUMHLQ-JFGNBEQYSA-N 405.684 1.216 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[S@@](C)=O 2282835723 YEBIGWIOIDCRQC-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE CCC1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCNCC1 2282851031 WMHWRGINLHQDDI-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](C)C1O 2282864955 NJBGKFYTYCVPDN-RYUDHWBXSA-N 401.359 1.685 30 10 HDEE CC(C)CN(CCN)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874883 HKOSQKIVHPLJSM-UHFFFAOYSA-N 402.391 1.794 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(C(=O)O)CC2)OC1(C)C 2284396513 DKJCFJGCUOWQKU-UHFFFAOYSA-N 401.315 1.332 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(=O)O)CCCC3)s2)OC1(C)C 2284398191 VJECFQAWRKIUMH-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NOCCCC(=O)O)OC1(C)C 2284409175 GCUSBIACJJERCC-UHFFFAOYSA-N 405.303 1.263 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284415709 ZBMNUYCOECMQMP-GFCCVEGCSA-N 401.677 1.487 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2339658192 FXCUDEYPQLEOJZ-KBPBESRZSA-N 402.538 1.766 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CSCCN1C(=O)OC(C)(C)C 2342042345 FGEOLQSFYBDKJE-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367823881 JKVQMWWASSNEKF-LSDHHAIUSA-N 402.557 1.457 30 10 HDEE CCc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc2c(C#N)cnn2C)cc1 16893315 CRFXQFNZTMYJSD-LBPRGKRZSA-N 403.464 1.235 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)cc1 90743825 MEAVFYJWTICGJP-INIZCTEOSA-N 421.453 1.346 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(F)cc1F)C1=NS(=O)(=O)c2ccccc21 111029218 IGLBSNMPEWDSQO-OAHLLOKOSA-N 404.398 1.727 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C1 219955961 APBOBIYVMPIBPG-NSHDSACASA-N 408.386 1.638 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(N[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 433729131 WNYFDVYOTBBHEZ-KRWDZBQOSA-N 403.508 1.752 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 448372229 BVWIFUPASLJACO-UHFFFAOYSA-N 415.899 1.382 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 460131250 ZSCSTACZJMTCSR-UHFFFAOYSA-N 409.431 1.049 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(Cc2nccn2C(F)F)CC1 464216748 RFOPTHZNXLOHGT-UHFFFAOYSA-N 411.434 1.665 30 10 HDEE Cc1cc(=O)n(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 470586528 FTTFKDMRHKJRMD-UHFFFAOYSA-N 415.475 1.104 30 10 HDEE COC(=O)[C@H](NC(=O)COc1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 471530827 YVSNWCHGHQOYTJ-HXUWFJFHSA-N 414.414 1.993 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4ccc([N+](=O)[O-])c(C#N)c4)CC3)C2=O)n(C)n1 472477460 MGXYWFBBVVHSMV-LJQANCHMSA-N 423.477 1.826 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 473676515 NTKSVEXHEUPUHI-GOSISDBHSA-N 400.479 1.606 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)S(=O)(=O)C1CCOCC1 479274159 IOOKVIJKCJJKEG-QGZVFWFLSA-N 419.547 1.643 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 484518672 OCINNYXDUKWYJZ-MRXNPFEDSA-N 408.462 1.271 30 10 HDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 486821612 RPDRIEKQTJFKHD-UHFFFAOYSA-N 419.406 1.854 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 488276464 ZKFGNOQFZJDZEJ-HUUCEWRRSA-N 411.462 1.650 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 508510341 QIIXZUCJRVAZMY-INIZCTEOSA-N 421.505 1.382 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 511756558 UPVWORGRKGHCAD-HNNXBMFYSA-N 404.517 1.554 30 10 HDEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545463358 WJIIZPNASRYCCK-LJQANCHMSA-N 420.452 1.520 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OC 546221073 KPYGZWDIXGCXKS-UHFFFAOYSA-N 409.446 1.780 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 549637172 CWFLJPNRKUGSPR-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=C(C)CN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)c2nncs2)cc1 552401045 KRFXDFUZJHFKAD-UHFFFAOYSA-N 416.550 1.950 30 10 HDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 558355809 ZCNUUZSRQNZFQM-UHFFFAOYSA-N 400.460 1.037 30 10 HDEE Cc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1S(C)(=O)=O 558554544 FSERYNDHXHQUCJ-UHFFFAOYSA-N 407.473 1.187 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 575205917 ZKYSNXAOPHOGEG-GOEBONIOSA-N 406.508 1.132 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 580501673 NUAAFVIMVPKTAB-QGZVFWFLSA-N 415.519 1.943 30 10 HDEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 581679973 VCDQZSHYFGRSBV-UHFFFAOYSA-N 414.510 1.403 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4cccc(O)c43)CC2)cc1 582622121 JLRASTZLADIWJX-GOSISDBHSA-N 411.483 1.827 30 10 HDEE Cc1ccc(N=c2ccc(=NCCNS(=O)(=O)c3ccccc3C#N)[nH][nH]2)nc1 585458720 GMDYVNANLNDSNY-UHFFFAOYSA-N 409.475 1.030 30 10 HDEE Cc1cccc([C@@H](C(=O)O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 589975901 PVDSDQAESPUVKX-IBGZPJMESA-N 414.487 1.702 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1S(=O)(=O)NCC#N 609528340 YKYVYXXUHXLTBE-GOSISDBHSA-N 420.535 1.124 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 609984484 IMURPMYASUZQQD-KRWDZBQOSA-N 422.489 1.301 30 10 HDEE COC(=O)[C@]1(NCC(=O)NCc2cccc(C#N)c2)CCCN(Cc2ccccc2)C1 611794989 FOZOLCDNAPKDGH-DEOSSOPVSA-N 420.513 1.972 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)cc1 623010593 DGWXOYWIAUUGEO-UHFFFAOYSA-N 409.511 1.179 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)N(C)C)CC1 669811401 NKJOZFKKOAJGPB-UHFFFAOYSA-N 423.565 1.627 30 10 HDEE C=CCOCCNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 685792540 LNNICPLKEWFAJJ-GMSFPVLESA-N 406.482 1.785 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccn1 732495829 HQXVELOIROQHDS-QFBILLFUSA-N 417.425 1.205 30 10 HDEE COCc1nc(OC)c2c(C)c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)sc2n1 732664574 LQBZPFHIOFYUPZ-ZDUSSCGKSA-N 401.492 1.967 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2C(=O)NC(=O)C2(C)C)nc1C 735847537 RTMOXPQMIUCDEB-UHFFFAOYSA-N 421.508 1.454 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 740176574 SPFHCZBWRZFXMC-LJQANCHMSA-N 416.455 1.911 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 740186270 ZGJGJHHDGSIYHC-KRWDZBQOSA-N 402.428 1.880 30 10 HDEE CC1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)OCCCO1 754447547 KUNUVRRFSYBZKK-UHFFFAOYSA-N 409.508 1.555 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCOC1CCOCC1 755942893 LQHTUZNODHEDFA-KRWDZBQOSA-N 424.519 1.879 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 758481509 UBKVQZVIMBBXLA-USXIJHARSA-N 413.478 1.850 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCC1 759004025 NCMUCYGNQHQSAZ-UHFFFAOYSA-N 422.532 1.167 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)cc1 759787074 HMTFXSFQJPZBNO-UHFFFAOYSA-N 406.485 1.562 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@]2(C(=O)OC)CCSC2)ccc1F 759922700 ZEUDRFBDPIRIIY-INIZCTEOSA-N 402.469 1.069 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CCCCC1 760401151 SVSUJNMKNSCRMG-KRWDZBQOSA-N 418.519 1.854 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CO)c1cccc(Br)c1 771201488 CWNBYTRXKSFJIZ-WPCFGXOUSA-N 408.252 1.515 30 10 HDEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1)[C@H]1CCS(=O)(=O)C1 774049874 WSJFTZLOZNSFNL-KRWDZBQOSA-N 412.533 1.664 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)nc12 783124346 QNYPCFGMHUWIJN-JTQLQIEISA-N 413.340 1.681 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(CCCn2ccnc2)CC1 783218975 ABHYXYPPLFUAFI-HNENSFHCSA-N 400.483 1.611 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C(=O)OC)c2c(F)cccc2Cl)C1=O 785283775 LZOWAPZJFPDWHD-ZDUSSCGKSA-N 412.757 1.213 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCc1cc(O)n3ncc(C#N)c3n1)CC2 786798781 BEURKLWJXCNURJ-UHFFFAOYSA-N 423.429 1.425 30 10 HDEE Cn1cc(C[C@@H](O)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 786859721 RLCCIPBVIHVZTM-OAHLLOKOSA-N 402.476 1.707 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n1 788815280 OGWAYBQIVYAARC-IBGZPJMESA-N 424.501 1.549 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@@H](COc2ccccc2)C1 792361195 XFFAORGETFBVDS-QGZVFWFLSA-N 413.405 1.973 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)n1 794645742 QJKYYYKPWAGHIS-UHFFFAOYSA-N 412.406 1.347 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 794894347 XEJROBGOJDUXMG-KBXCAEBGSA-N 415.446 1.317 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)n1cnc(C#N)n1 798849227 XFFAVXNREDHUIU-SSDOTTSWSA-N 407.761 1.888 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](Cn2cccn2)c2ccccc2)cc1C#N 806164483 UVXXYFOMBXAHAI-LJQANCHMSA-N 403.442 1.937 30 10 HDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C)[C@@H]1CCS(=O)(=O)C1 809819055 VIZIEUNONSLONW-GFCCVEGCSA-N 412.313 1.210 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 809926755 RKCBEAPSAYHTAM-XOBRGWDASA-N 420.514 1.474 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 815699633 CRSMDBDRVLQBCT-UHFFFAOYSA-N 403.442 1.639 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C#N)cc2F)CC1 1124997581 SPGBGZIZMLWGRB-UHFFFAOYSA-N 404.442 1.944 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCNC2=O)cc1 1125307541 NJJRPJVIMYTACB-AEWZPABSSA-N 406.508 1.744 30 10 HDEE CN(C)C(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1130767040 GQRRAVHEXBMIDO-HNNXBMFYSA-N 420.413 1.018 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cn1C 1134051082 UUHNFDQYLCJOOE-GFCCVEGCSA-N 407.418 1.090 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)COc1ccc(C#N)c(Br)c1 1136491034 BAVCKGCCZMOVDD-UHFFFAOYSA-N 404.286 1.145 30 10 HDEE N#C[C@@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1ccc(OCc2ccccc2)cc1 1136591964 JYBNEGOTSLLVTL-PZJWPPBQSA-N 406.442 1.810 30 10 HDEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1140141426 GUDQRARGMZWRHR-HNNXBMFYSA-N 405.455 1.070 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 1144413567 PYRWELOEPPNJNU-UHFFFAOYSA-N 406.531 1.963 30 10 HDEE C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167527070 IDLZMKAISLWPRO-RDTXWAMCSA-N 417.263 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cncc(C#N)n3)CC2)CC1 1187090545 IUCNWOYSJJAWIP-UHFFFAOYSA-N 401.471 1.143 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)CC3(CC#N)CC3)CC(=O)N2C(C)(C)C)cn1 1192492253 HJNDKHIZRGQSIA-PBHICJAKSA-N 407.540 1.721 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn([C@H](C)c3ccccc3)c2)CC1 1206698980 NFQAXAZBLYXEBW-MRXNPFEDSA-N 416.507 1.110 30 10 HDEE COc1ccc([C@H](OC)[C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1230919349 WTRLYUYGCQEPSN-SJKOYZFVSA-N 413.434 1.172 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1248582094 PNFXOVHQOPWPQT-LLVKDONJSA-N 410.323 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1286282620 NWWYIWRKUWMFIN-DHMKHTPVSA-N 424.534 1.680 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1286359993 AYXXTLLNJGMBMY-HOTGVXAUSA-N 404.540 1.483 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286386692 GBNAKXDQUSNJLT-BQFCYCMXSA-N 417.535 1.715 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)C(C)(C)C 1286462863 YVKYUJHPPUKGMQ-UHFFFAOYSA-N 419.551 1.948 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)COC)CC1 1286474096 AFCZDMNYLGZJRC-KRWDZBQOSA-N 413.522 2.000 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@@H](C)CC)CC1 1286474973 PHKDCNKNUJMHLG-SFHVURJKSA-N 419.533 1.877 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286504809 QHAPTZQWKOEFRP-SJORKVTESA-N 403.552 1.849 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286710380 VVQJHGLWFAZWTQ-KRWDZBQOSA-N 418.542 1.517 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1286711062 HTTSHKKDOAKXSI-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@@]1(OCC)CCOC1 1286793026 PHVIBNXRGXFGQB-LEWJYISDSA-N 421.542 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOCC1 1286821111 ALSBFNUVUGSSSU-UHFFFAOYSA-N 406.508 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286825605 TYJQGQQFSFFWPR-FCEWJHQRSA-N 412.556 1.623 30 10 HDEE CN1CCCC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 1291649711 LAJPNADDLNNNNR-ZKCWRFQVSA-N 406.508 1.696 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC(F)F 1297188539 MURNTEPOJDIHLS-UHFFFAOYSA-N 408.409 1.979 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1297308631 BJSVTWBYOIZWRI-LJQANCHMSA-N 411.510 1.855 30 10 HDEE CN(CC1CCCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1298526137 AULOLWICHRKEJP-CZIZESTLSA-N 422.493 1.888 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1300323161 XILVDKDVBMHAOO-KGLIPLIRSA-N 421.548 1.162 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300357257 KUFPBKLZAKANKD-QZTJIDSGSA-N 411.510 1.827 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1300439352 BNRROOKSAWCYOE-MRXNPFEDSA-N 403.508 1.447 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300485468 XEFJBEUDIQVOQN-BEFAXECRSA-N 422.938 1.774 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300488738 VKKWYAPHLZZCNL-AWEZNQCLSA-N 416.532 1.713 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300602421 QTMKKROXUDYINQ-CQSZACIVSA-N 418.523 1.355 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300698122 NXBWBQQTMCFICA-QGZVFWFLSA-N 421.567 1.100 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(C)C)CC1 1300725775 JVXRPCWZQKUGDG-LJQANCHMSA-N 417.554 1.953 30 10 HDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1301008935 DNBNWAIJHHPKTK-IRXDYDNUSA-N 415.519 1.205 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1301491577 LLIBGMUAZKUMJR-UHFFFAOYSA-N 410.522 1.860 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@@H](C)C(=O)NC 1301492996 SXKFVNKRHUXDMR-OAHLLOKOSA-N 421.505 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301579480 SJFVFEAZUGMWQK-WMZOPIPTSA-N 416.551 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1301585027 GXZBIWFRRILBPR-JYJNAYRXSA-N 407.540 1.599 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC1 1301806642 NWSMVBPVLKAXKF-UHFFFAOYSA-N 423.477 1.083 30 10 HDEE CSCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302774978 QQXJQASWOLJQDT-QGZVFWFLSA-N 417.583 1.720 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1302844716 FYASBOYLUIUVAH-DJIMGWMZSA-N 407.540 1.735 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCn1ccnn1 1302948190 ACFQSHOUMKYGMK-UHFFFAOYSA-N 420.525 1.752 30 10 HDEE CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1351735243 HJFYUHBHBCZPNY-QGZVFWFLSA-N 410.478 1.584 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC(C)C 1358893916 FFTAERQOFILSIE-CYBMUJFWSA-N 410.569 1.420 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358967085 DBNFRHFWHYJDOX-MRXNPFEDSA-N 410.540 1.401 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1359074716 ONOYJFBIWDQWKE-OGNFBWPZSA-N 422.551 1.429 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359301260 VQTBPTVTYOCGJV-HOTGVXAUSA-N 415.498 1.235 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(C)C(=O)C1 1359304329 VLUGIDVJVYNDIW-UHFFFAOYSA-N 412.494 1.055 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1359475864 SQLDMRSPKIEPOU-AWEZNQCLSA-N 402.524 1.808 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)o1 1438199056 RIYPSFRNDVBHAU-LJQANCHMSA-N 424.505 1.483 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)ccc1OC 1443926330 LIVUNHVRQXYHIK-XOBRGWDASA-N 402.451 1.761 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)s1 1449261884 GFGIYUZYVCVDPE-JQWIXIFHSA-N 412.455 1.933 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1455705112 NINMCQCPDYDYFJ-OALUTQOASA-N 413.518 1.309 30 10 HDEE CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455815746 FFSICMSCXIMNOG-ZFWWWQNUSA-N 409.508 1.599 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCO[C@H](CS(C)(=O)=O)C1 1460859778 PEXMEFMBXVHDFA-CVEARBPZSA-N 409.508 1.076 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1464300296 JJECZDYZRDSFFJ-UHFFFAOYSA-N 400.547 1.210 30 10 HDEE C#CCCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1464611097 HYFLENZORLNGLJ-KRWDZBQOSA-N 416.526 1.631 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1469520952 XNVFSAINZSMQFL-KRWDZBQOSA-N 403.504 1.025 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)Cc1cn(C)nn1 1471674541 AETIOMKOSSLQQH-CZUORRHYSA-N 418.523 1.160 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCc2ccccc21 1472070425 AYAIGOSAWKHYGC-GOSISDBHSA-N 400.504 1.546 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 1475617960 JYWZCRBTLBTRGW-UHFFFAOYSA-N 403.254 1.896 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1478708999 UBGGUFCVPAYFQF-GOEBONIOSA-N 404.467 1.904 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1502056678 CPGNKPBWQVFUOR-ZZEZOPTASA-N 424.509 1.832 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1502291701 FRNHFWAXXQLBRV-PFRQMTDMSA-N 406.506 1.928 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCc2nccn2C1 1504888195 KZBXYEWWIXNRLV-CVEARBPZSA-N 412.498 1.055 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 1505141331 ZMWRUOYPSDZCPO-KRWDZBQOSA-N 412.519 1.865 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 1505286666 SOYAZYXFHWLSTD-DMPWYTOCSA-N 424.505 1.821 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1507569875 KJBZHQXTYYDNOO-NJNPRVFISA-N 415.538 1.977 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)OC 1507710486 PJPAYNDFBPWFLU-INIZCTEOSA-N 424.505 1.796 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(OC)c2)CC1 1507723705 RGNUGKVWJDMZHC-IBGZPJMESA-N 408.506 1.236 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCC3(C2)OCCO3)CC1 1507733657 HGSBZCAMBPTQBI-KRWDZBQOSA-N 415.538 1.911 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507844424 JQPMGQBEDNYFIP-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507978172 GVSQRMPYXMEBNW-OAQYLSRUSA-N 410.478 1.620 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(COC)CC1 1508093392 UVKFZGDVSSPTIM-UHFFFAOYSA-N 401.515 1.305 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1508406083 JOAWDWFSLDZWLX-JKSUJKDBSA-N 402.499 1.653 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1518960196 GDWYNXVYPFBHIB-IBGZPJMESA-N 403.508 1.173 30 10 HDEE COCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1519079816 DFDBUCTUMOPWJI-WIYYLYMNSA-N 418.542 1.532 30 10 HDEE N#C[C@]1(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCCOC1 1525683482 FDBYARAELFUZJZ-OAHLLOKOSA-N 406.291 1.708 30 10 HDEE COCCCn1cc(C)c(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1533484471 LLBMQZAOHNTLEG-KRWDZBQOSA-N 424.461 1.943 30 10 HDEE CCc1noc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 1534146761 MLPGCDJYZZBHBD-CJLVFECKSA-N 421.479 1.600 30 10 HDEE Cc1cc(Br)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1536179442 IWJQVIQQHGGQCG-HZMBPMFUSA-N 403.323 1.758 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2nc(C#N)cs2)cc1 1536599523 XIEMLRKUTDQDID-UHFFFAOYSA-N 420.516 1.934 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539101825 JUVNQVHYLGKEAW-UHFFFAOYSA-N 417.517 1.631 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1539125421 YPQGHIYEJUQXOE-MRXNPFEDSA-N 417.460 1.902 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1539369321 JMPRGLOITQKTLK-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCOC1 1539421552 UJPZWBRLXRCPRO-NRFANRHFSA-N 400.479 1.403 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2n[nH]c(C)n2)CC1 1539889745 BRXRZMCRSBVRRD-OAHLLOKOSA-N 405.528 1.252 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCS(C)(=O)=O 1540069707 VEBDDMLCKLDJMT-UHFFFAOYSA-N 416.507 1.342 30 10 HDEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540661305 VCIQUBHKIBTLFY-UHFFFAOYSA-N 412.381 1.921 30 10 HDEE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)COc1ccc(C#N)c(Br)c1 1544160365 LZLJAXWIFKXLMI-SUMWQHHRSA-N 411.252 1.879 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)OC 1555252245 XLFGQLQLDGWZGD-BBWFWOEESA-N 413.434 1.592 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1556509467 HYSABLLXRXEFFU-XJKCOSOUSA-N 419.482 1.361 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(F)c(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1558653705 CPYBAARRXYATNT-CVEARBPZSA-N 423.466 1.556 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1560192496 HONOUMOJXSPTMH-XSPKLOCKSA-N 417.318 1.901 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)cc1 1561108008 BPFASMXVAWALIG-UHFFFAOYSA-N 419.475 1.240 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccn3)c2)CC1 1561764944 OJMNPIIPDNYYPZ-UHFFFAOYSA-N 415.471 1.491 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(CCC#N)CCOC 1563027922 FMHOLELBFSAUAX-UHFFFAOYSA-N 424.523 1.664 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)C1 1565262120 QLVUUEOZBVUJNK-WMLDXEAASA-N 407.268 1.762 30 10 HDEE COCCC(=O)N1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 1566376089 FSPGMZJMUKCDLO-UHFFFAOYSA-N 424.295 1.843 30 10 HDEE C=CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OCC 1567457123 QGSOJYGDRCTRRW-ZDUSSCGKSA-N 416.521 1.131 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1584838420 HKJOADVSZVVODP-CQSZACIVSA-N 414.487 1.524 30 10 HDEE CC(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1Br 1585138530 ISQOZTOBSRSDHC-HZMBPMFUSA-N 401.286 1.237 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)nn1 1585550508 VPKPSTFAHWLPJX-UHFFFAOYSA-N 416.526 1.997 30 10 HDEE CCOc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 1585926732 MAJZWBVZYGQDCL-UHFFFAOYSA-N 404.404 1.671 30 10 HDEE CN1CCC[C@@H](N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 1586063341 GZFWYPUSAFAPAK-HXUWFJFHSA-N 418.582 1.875 30 10 HDEE C=CCCn1cc(C(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)nn1 1586143896 YPEDGDJRBRZSNO-OAHLLOKOSA-N 403.508 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCO)c(OC)c1 1587615777 YCEMJPMDVGBBCV-OAHLLOKOSA-N 410.478 1.565 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1587857137 WEVIXHTXAMGPTO-GOSISDBHSA-N 400.527 1.334 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1588015656 CIQVYLLKYSOKPO-UHFFFAOYSA-N 411.915 1.519 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588065040 RTJZHOVZMVXKEJ-WMZOPIPTSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@H](O)C2)CC1 1588865367 VTCQMGMNHPIYHR-PMACEKPBSA-N 411.554 1.446 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(=O)OC)C1 1588976347 VDHSDPGZJVNWOY-AWEZNQCLSA-N 407.540 1.562 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1589070065 QHPPDPINSIVKQK-JKSUJKDBSA-N 412.581 1.409 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589559539 SSPKBKZKEUJLKZ-XLSPSMHOSA-N 404.511 1.572 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1595204663 IWGVVCMMVGURSP-UHFFFAOYSA-N 414.491 1.817 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)c1ccccc1 1595570085 WVINOMUQEXPKQQ-QGZVFWFLSA-N 410.522 1.943 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 1596122894 QMEPXNGNGHOQQT-VQTJNVASSA-N 417.531 1.890 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1611309078 XQKXORBNADLFQP-AGIUHOORSA-N 403.455 1.343 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1614069754 FCVPCPDIOJZAQC-UTKZUKDTSA-N 410.478 1.337 30 10 HDEE CCn1cnnc1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1615743522 ZWJXLVLLTDHTHR-KXBFYZLASA-N 402.503 1.792 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccnc2OC)CCOC1 1616139897 CIYGMEIRLBJSHX-QRWLVFNGSA-N 400.483 1.978 30 10 HDEE CN(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1617703021 QIRXFMZWSUBXDP-SFHVURJKSA-N 418.929 1.829 30 10 HDEE CN(CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1618243673 RPWRJOMFHUSWRU-ZIAGYGMSSA-N 402.421 1.743 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)CCO1 1618694789 XXHYOTAQXHVAFI-QGZVFWFLSA-N 414.535 1.911 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1620041603 NHSNEFUFMWKUTB-OXJNMPFZSA-N 416.457 1.692 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc(C#N)o1 1620087992 RASWEJUYADAWCT-YJBOKZPZSA-N 411.466 1.885 30 10 HDEE CCOc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1620610877 GAVJNMYXHHEASD-CUWPLCDZSA-N 417.531 1.619 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1624564854 CXGRWLWIILFINY-SFHVURJKSA-N 424.816 1.161 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)C#Cc3cccs3)CC2)c([N+](=O)[O-])c1 1625572937 TUKBKZHUMRPLMG-UHFFFAOYSA-N 419.484 1.760 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)NCc2ccccc2)s1 1625654322 UXGDTJYOADHZIT-AWEZNQCLSA-N 421.544 1.576 30 10 HDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1628078602 GUAAYUNBNDEQCJ-STQMWFEESA-N 411.421 1.972 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1628848077 LLPKAKCQAVSTMU-YFHOEESVSA-N 401.482 1.955 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3[nH]cc(I)c3c2)CC1 1630034235 KGJMIYDNLCCVNY-UHFFFAOYSA-N 422.226 1.971 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(CO)CCOCC3)C2)C1 1631120050 LLAHOXAEBLYBSH-ZGOJQLDESA-N 407.511 1.679 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1632035628 WYJSWBGMQLNHDC-QZTJIDSGSA-N 406.891 1.860 30 10 HDEE CN(CC(C)(C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1636335483 RXOGSWFRJRKRFO-RBSFLKMASA-N 413.540 1.665 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC[S@](=O)CC(F)(F)F)C2)nc1 1636859591 WJEODUNPHOEMGG-QWVSSGJLSA-N 403.430 1.850 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCCF)CC1 1639825444 WJDANYMLRYMLCF-KRWDZBQOSA-N 424.542 1.644 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3[nH]c4ccc(Cl)cc4c3C2)C1=O 1639887108 XJKMKRCQBCPIRU-GFCCVEGCSA-N 414.849 1.772 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1641439466 NCIZXZPXMKFRLI-OAHLLOKOSA-N 418.881 1.823 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCc2cc(C#N)ccc21 1642492936 FZMUAKINATVNPC-HNNXBMFYSA-N 407.492 1.775 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O 1644597292 VVHWOWAUUYDHQS-UHFFFAOYSA-N 422.503 1.594 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](O)C[C@]2(C)CO)cc1 1647812452 ADRPKSKVDINCGP-VGOFRKELSA-N 412.490 1.731 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)OCC 1651055322 XPBBTFWWYPMSQC-KBPBESRZSA-N 420.528 1.329 30 10 HDEE CCN(CC)CCOc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1653070314 YBWYWXOXJOEJAM-FXAWDEMLSA-N 405.520 1.418 30 10 HDEE Cc1cc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)n1-c1ccccc1 1653760239 SLMRTHGDQZDKCN-UHFFFAOYSA-N 403.442 1.854 30 10 HDEE Cn1c(=O)c2cc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)n(C)c2n(C)c1=O 1654740498 KXPQZMJHIJBZEQ-UHFFFAOYSA-N 418.269 1.138 30 10 HDEE C#CCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)cn1 1663023540 HPEGASPJLWJIPO-LJQANCHMSA-N 416.503 1.737 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccccc1CNS(=O)(=O)CC(C)(C)CC#N 1666828932 DMXWYHBYLKNPDC-UHFFFAOYSA-N 401.554 1.874 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 1666874846 MFJMKBQWJGFFQD-QGZVFWFLSA-N 410.927 1.586 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1673571936 GPKGAQBZAYUFMW-UHFFFAOYSA-N 413.471 1.350 30 10 HDEE C#CCC1(NC(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CCOCC1 1678553377 VCOVARCHSJFGEF-AWEZNQCLSA-N 405.476 1.512 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)c1 1681996056 OWEXJJSMPNQZOI-UHFFFAOYSA-N 406.552 1.862 30 10 HDEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CC(F)F 1682218111 LGHQRUWQPITTPN-CYBMUJFWSA-N 400.451 1.865 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1C 1684392642 DPJGWNYHSVGBCP-UHFFFAOYSA-N 419.532 1.848 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1cnn(CCOC)c1 1690004989 NOSOUQFXTMPBGP-UHFFFAOYSA-N 404.474 1.918 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1690046977 JHGJESCZDKAMBY-MSOLQXFVSA-N 404.536 1.602 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(C(N)=O)cc1 1690104787 IXJLYVDAUKWQAD-UHFFFAOYSA-N 404.474 1.497 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)CC 1690263768 IUDZIWQVBRLGJJ-UHFFFAOYSA-N 424.527 1.348 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690598859 CIGKWMBNWQZPLD-KRWDZBQOSA-N 416.551 1.724 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@H]1C 1690615650 NDIKQXBJWADXCM-YCRPNKLZSA-N 416.478 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690663282 RHTCEKMHCDWJOS-OAQYLSRUSA-N 410.478 1.115 30 10 HDEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1696645938 PENDGGCRTHKXFT-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE COCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697969432 QUFCXTLJHIUVTM-QGZVFWFLSA-N 424.509 1.529 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1698138604 VMUBEBQZQJYJRT-MRXNPFEDSA-N 414.510 1.798 30 10 HDEE N#CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1698491515 DTCGUFYINLEOJH-UHFFFAOYSA-N 419.489 1.806 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1705583419 XUYGGJGWPHOJFW-UWJYYQICSA-N 412.515 1.161 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)N(C)C)CC1 1705641643 NRDCYELOYURTDM-UHFFFAOYSA-N 405.506 1.125 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOCC)CC1 1705648314 QSTFTUYXPVQDGE-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@H]1OC 1705667236 KUJDHEDJGPOJLB-CSODHUTKSA-N 401.511 1.558 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705746124 QOPQKLRWKQWIMC-IRXDYDNUSA-N 413.950 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(C)(=O)=O)C1 1705926658 IKRFCNZIGIYLLB-OAHLLOKOSA-N 411.553 1.460 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705931828 BRTUYTAWFOAEQD-HOTGVXAUSA-N 406.556 1.793 30 10 HDEE CC(=O)N1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1705981134 HATGDVGQSVWPEW-UHFFFAOYSA-N 422.493 1.711 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1706204324 FDGGRBGOFOJDHZ-HNNXBMFYSA-N 412.450 1.140 30 10 HDEE CC(C)CO[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706530121 XOKZTCMHGDQNNQ-RJCBAWPRSA-N 414.510 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1722275767 GDJHTYHULJIRCI-YZVOILCLSA-N 411.572 1.678 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1722371679 XOSUINOTPOTCHJ-HNNXBMFYSA-N 423.564 1.449 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccccc2)CC1 1722438219 OPBVLCGQXJFWQR-QFIPXVFZSA-N 403.490 1.398 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1722617743 LWDJVUCNYYYQFV-OAHLLOKOSA-N 411.528 1.425 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1722631271 IWEFEFPLBUSLOR-WMLDXEAASA-N 424.546 1.953 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC2(C1)OCCO2 1722679861 OIUMDCOQNIIASK-HZPDHXFCSA-N 405.499 1.411 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722703981 NHDOHURDJOSGDQ-KYFSNAEOSA-N 419.526 1.094 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCOC2)C1 1722710921 QGVBYAMCAGTRHJ-QMMLZNLJSA-N 422.526 1.251 30 10 HDEE COC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1)OC 1730467198 GCIYQEJONVKFSW-CABCVRRESA-N 401.423 1.064 30 10 HDEE COCCN(CCC#N)c1nnc(C2CC2)n1C[C@]1(N2CCOCC2)CCSC1 1730762366 FFDJRXPKMRECMQ-HXUWFJFHSA-N 420.583 1.730 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1740549257 DQZVMBJQUAKSQI-SJLPKXTDSA-N 402.520 1.855 30 10 HDEE C#CCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740581132 QERMGEDVEBWFFB-QGZVFWFLSA-N 400.527 1.476 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCNC(=O)c1occc1C 1740657110 PSHJZICJFIIUEF-GOSISDBHSA-N 409.490 1.966 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2ccc(OCCO)c(OC)c2)CC1 1740694879 WSWVWDUOCDVEOZ-UHFFFAOYSA-N 411.506 1.339 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCCCCO)CC1 1740704616 VEETVBDJFZIWDM-UHFFFAOYSA-N 410.522 1.859 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1740729299 CPPBVXBEKVRDCA-KGVIQGDOSA-N 413.570 1.247 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740956270 NPEIVZQASCYISD-WBVHZDCISA-N 424.505 1.218 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCNC(=O)CC1 1740957152 CNXJZWJGCFRJMW-UHFFFAOYSA-N 407.478 1.065 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1748486895 HROVYZLCDLRWMZ-NRFANRHFSA-N 413.478 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C2CC2)C1=O 1748638158 JWUXSVHNHROPDR-LHSJRXKWSA-N 400.527 1.665 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)SC)CC1 1748977789 CXXMUJSQNZEOBO-FQEVSTJZSA-N 407.584 1.827 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1 1749126791 GSWSPVXJTMXMPE-QFBILLFUSA-N 413.526 1.752 30 10 HDEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749182161 PYAXESOLUOHBQJ-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC[C@H]1C 1749199566 QBLYDGQAXPTLIC-QAPCUYQASA-N 407.482 1.755 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N2CCOCC2)CC1 1749285328 FWGBCGXMVXNCLN-QGZVFWFLSA-N 411.510 1.803 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749479130 RUKKDVDYHJEOOZ-MRXNPFEDSA-N 400.508 1.720 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1749552658 IVYRFFWIPGEVOM-OAHLLOKOSA-N 414.535 1.933 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1749789937 CVGUHJQURVGJBF-QGZVFWFLSA-N 409.494 1.210 30 10 HDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1749833972 MCAZJEIOHOZRRV-NRFANRHFSA-N 412.494 1.394 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750380397 QHISRPTULDMZOM-IETCZJMGSA-N 413.457 1.904 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCOCC1 1750442024 NXADVUXADAPDKA-UHFFFAOYSA-N 412.494 1.652 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1750468459 JHDITCVGZWPLLQ-VBKZILBWSA-N 401.515 1.985 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1751017355 FGCXQYXGCZKWTO-OALUTQOASA-N 408.478 1.239 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1 1760206461 ZTRUZFZQJMRDTG-QGZVFWFLSA-N 400.479 1.635 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)cc1 1760222123 XMMBKHXZUIMHEG-UHFFFAOYSA-N 418.501 1.870 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1760255239 WNAICOZPERCLGV-HRAATJIYSA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1760262427 ODCWIGRZGZOLMB-MUUNZHRXSA-N 403.527 1.532 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760431149 FSMWKQRBUSARGL-UHFFFAOYSA-N 423.521 1.838 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760445339 GVEFRLGDVWQASB-MRXNPFEDSA-N 418.542 1.312 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1760511255 SQWXZMDUMHJRQR-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760519210 WGFDYCIIXNKOFF-QGZVFWFLSA-N 414.510 1.450 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760525555 JQMQFKIUHPHLHK-QGZVFWFLSA-N 406.494 1.294 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC2(CCCC2)C1 1760555468 GJMXJPNDYSGWKN-KRWDZBQOSA-N 424.567 1.922 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760565404 WOYVFMHYYKTEMG-MRXNPFEDSA-N 420.583 1.889 30 10 HDEE Cc1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762554416 YRCRTSDGNXUUNH-UPTRSRDDSA-N 406.437 1.985 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC(=O)N1C 1763078570 OHWKIVCOVZTAOB-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1767492120 DAUAPNQVYYQCTE-GOSISDBHSA-N 406.487 1.550 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1770726822 AIHOKBXKWWFQJN-OXJNMPFZSA-N 420.489 1.504 30 10 HDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1770932965 DSGGBTCYTKFATR-UHFFFAOYSA-N 422.493 1.883 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789716 KANHGWQXXIWXQL-UHFFFAOYSA-N 400.412 1.861 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1772844825 AMMDDCYXKMHQLO-GHTZIAJQSA-N 419.526 1.864 30 10 HDEE Cc1ccc(-n2nnc(C(=O)NCC3CCN(c4ncccc4C#N)CC3)n2)cc1 1850181981 QOXGTSUDHAXBSU-UHFFFAOYSA-N 402.462 1.884 30 10 HDEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 1851138979 UBIAADHXCHTRFC-IBGZPJMESA-N 412.515 1.367 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)nc2n1 1851684746 AQEADBHLXSFDGV-UHFFFAOYSA-N 404.374 1.615 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CC(F)C2)cc1 1852391273 KSLHBQODDUMOOY-LJQANCHMSA-N 417.462 1.637 30 10 HDEE COc1cccc(N2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852449463 WYWRGHYTPALELN-CRAIPNDOSA-N 408.414 1.678 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)NN1c1ccc(Cl)cn1 1852497278 ONIJISXMQLBYGE-QWHCGFSZSA-N 405.886 1.791 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)c2cccc([C@H](C#N)c3ccccc3)n2)CC1 1852834497 GKASALUEKDQMJA-LJQANCHMSA-N 405.502 1.973 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)C1CCN(S(=O)(=O)C2CC2)CC1 1853333050 ZKUFVIHIGSIEMO-UHFFFAOYSA-N 405.402 1.460 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1853882595 VESRDHAIEMEADG-CABCVRRESA-N 403.483 1.177 30 10 HDEE N#Cc1ccc(C(=O)CN2CC(=O)N(C(=O)[C@H]3COCCO3)c3ccccc32)cc1 1854045584 YMBVIZDYWSPQBC-HXUWFJFHSA-N 405.410 1.536 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)C[C@H]3CCCO3)C2=O)CC1 1854862991 AGKJGHMKWJARFR-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3ccncn3)C2=O)CC1 1854863427 KEJOAYZLVHQDEK-GOSISDBHSA-N 406.446 1.275 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2ccc3ccccc3c2)CCN1S(=O)(=O)CC#N 1854872123 BZFYOLJNCIATGY-CQSZACIVSA-N 401.444 1.131 30 10 HDEE CCOc1ncccc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1855148135 YIHBDHZYVGWUTE-OAHLLOKOSA-N 406.442 1.908 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)c3ccno3)C2=O)CC1 1855594145 RFDDKYOTSMXMNI-QGZVFWFLSA-N 409.446 1.863 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(OC)c2)cc1 1858640420 WSFDHPBEUROOEN-UHFFFAOYSA-N 403.460 1.799 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)cc1O 1874430908 DBRSOWBLCOHXDN-AWQFTUOYSA-N 420.495 1.168 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccco3)ncnc21 1875229363 WJWKHMSUTXRKKO-UHFFFAOYSA-N 410.478 1.573 30 10 HDEE COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1891576102 PQXGFAWQFJXGSU-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1982298509 VVXGQIABERBBFE-RYUDHWBXSA-N 411.318 1.545 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CCNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174781448 FZWYKRRLMALYFF-SHTZXODSSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N(CC#N)CC(F)(F)F 2181054430 XDGKSXMSBWVQJZ-NSHDSACASA-N 413.418 1.325 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859430 VKLJRHNTVDZNGJ-CHWSQXEVSA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247915829 KHWHLJZIRBVOIG-ZDUSSCGKSA-N 418.303 1.614 30 10 HDEE C#CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC(C)(C)C1 2259894341 GJBSOCDGCKMRBQ-HNNXBMFYSA-N 408.476 1.477 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039861 WUNKFOQAMXHODF-SNVBAGLBSA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282013824 MCZKZYIAIZKDMR-NSHDSACASA-N 400.331 1.092 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(C)[C@H]1CO 2282317704 VGQKTMNRYRMVOQ-CYBMUJFWSA-N 401.359 1.747 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282490437 JSMMWHLZPDZXOJ-STQMWFEESA-N 400.375 1.714 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282494549 ZDUCLQVEWACATB-ZDUSSCGKSA-N 401.359 1.810 30 10 HDEE CC1(C)[C@H](O)CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498596 GVGSQQMQCLNYSF-ZIAGYGMSSA-N 401.359 1.875 30 10 HDEE CC[C@H](C)[C@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505586 GIXWUQYNZITWDR-GXTWGEPZSA-N 403.375 1.874 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCCC2(C1)OCCO2 2282530732 YKXAXTVVAGGVHN-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2csc(O)n2)OC1(C)C 2282846544 LIWLRFUDIDASRG-UHFFFAOYSA-N 417.343 1.224 30 10 HDEE CC(C)N1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282848641 QCZDZEFZBRVXTI-CYBMUJFWSA-N 400.375 1.808 30 10 HDEE COC[C@@](C)(CO)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859347 LENDDJIKBOTRIE-MRXNPFEDSA-N 405.347 1.065 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCC[C@@H]2CO)OC1(C)C 2282878550 HQEIIUAQVJDMHM-CHWSQXEVSA-N 401.359 1.734 30 10 HDEE C=CCN1C(=O)C(=C2SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 2296727472 FBUXAVNQDAOKHL-LLVKDONJSA-N 420.537 1.978 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H](O)[C@H]3C4)cc2Cl)OC1(C)C 2359283010 ZYMHBQIQOAHWCB-MVWJERBFSA-N 419.761 1.845 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2365206539 HLECKNRMWFXMMI-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2365213757 WIOGJQAJBXZTKQ-LSDHHAIUSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C 2367792243 MSSFQGPOFYOEJO-XHSDSOJGSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCCC1 2367813452 DMJOREJOVXEXMO-HUUCEWRRSA-N 400.541 1.483 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCC[C@@H]1NC(=O)OC(C)(C)C 2367813921 BGXHGKDJJLHKHL-ZRGWGRIASA-N 400.541 1.353 30 10 HDEE C/C(=N\S(=O)(=O)c1ccc(C)cc1)NCCNS(=O)(=O)c1ccc(C)cc1 6480060 QUWVVJIQVUIYHW-UHFFFAOYSA-N 409.533 1.979 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OC)c(OC)c1 10063377 HKVXKJNZDIBCKW-UHFFFAOYSA-N 420.491 1.426 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 24378912 JRNNTXKFEKFVHT-LJQANCHMSA-N 416.478 1.756 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1 49656907 BBAYSJHURVJDDQ-OAHLLOKOSA-N 418.500 1.559 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3cccs3)no2)CC1 106283591 NJONECDJOUYNDA-UHFFFAOYSA-N 403.508 1.567 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2ccc(B3OC(C)(C)C(C)(C)O3)c(C#N)n2)C1 381974498 LAYIRYQLNOJXTD-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 433871891 YGLDWVIIUJDPCV-SNVBAGLBSA-N 407.311 1.376 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nc(CC)ns4)CC3)cc2C1=O 437179950 BTVNQSYKBNPZNG-UHFFFAOYSA-N 411.487 1.845 30 10 HDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)C(=O)N2CCC(C)(C#N)CC2)CC1 445147437 XUQZMNKURGHYFS-UHFFFAOYSA-N 411.506 1.441 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1 446923639 APEBGQMYFVQSKR-AWEZNQCLSA-N 402.398 1.918 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1 462576180 TXHKLYJATROCLP-UHFFFAOYSA-N 411.480 1.605 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@]2(CCOC2)O1 483173615 CHHCWYOCPQZDSM-UWJYYQICSA-N 418.563 1.727 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 492417253 JFQKWTYCLSTZQS-QGZVFWFLSA-N 418.563 1.502 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 499203536 HMOZMJKZENFYCK-CQSZACIVSA-N 422.888 1.278 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 508824937 CXVHSULGJLFIHD-QGZVFWFLSA-N 405.524 1.742 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 508893335 IYWAJJGFNFCCCK-NQIIRXRSSA-N 401.555 1.616 30 10 HDEE CCN1CCN(C(=O)CC2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)CC1 546778272 XDLOEUWMJUVEKC-UHFFFAOYSA-N 410.584 1.666 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)n1cnc(C#N)n1 557795341 IAXSHAOIPIXWKS-CQSZACIVSA-N 402.480 1.914 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 576853606 HPKZVMHUIHYMIK-INIZCTEOSA-N 415.498 1.457 30 10 HDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 585089001 YCOQAOVOWZBANB-SFHVURJKSA-N 405.456 1.063 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)CC2 588293826 BIMJUYKEDNJVGU-CYBMUJFWSA-N 415.475 1.539 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc(F)c(Cl)c3)c2C)CC1 595380555 JMZPMZVPSYIIOD-UHFFFAOYSA-N 420.876 1.428 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(-n3cnnn3)c2)cc1 604538333 CVQCMFOQLRSZIQ-KRWDZBQOSA-N 405.443 1.688 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609256774 HZBZHXCAZQPBRR-UHFFFAOYSA-N 418.450 1.639 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669817522 RSBVGXQWDOPYBF-UHFFFAOYSA-N 400.487 1.036 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669818266 KMZZEKHEZRVWSQ-LPHOPBHVSA-N 412.542 1.244 30 10 HDEE OC[C@H]1CC(F)(F)CN1c1cc(C(F)(F)F)nc(N2CC(F)(F)C[C@@H]2CO)n1 681997590 XFEPYQIYAOVRAP-RKDXNWHRSA-N 418.313 1.908 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2ncccc2C#N)CC1 725796790 XTQMVKXHZWQIHA-SFQUDFHCSA-N 401.492 1.055 30 10 HDEE C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)N(C)CCC#N 729309790 HYSQAOSPLAECSG-OAHLLOKOSA-N 407.492 1.391 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 729332624 RNRJGSUAHMQCFX-QGZVFWFLSA-N 424.544 1.170 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Cc3ccc(C#N)cc3)ncnc1-2 729464594 XDZGJJIMGNQNAQ-UHFFFAOYSA-N 414.267 1.142 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCN1C1CC1 732706473 KRPSFVYKGDGTQL-KRWDZBQOSA-N 415.457 1.558 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CSCc1ccc(C#N)cc1 735774683 ZWLCEEDHMVEZFV-OAHLLOKOSA-N 411.505 1.180 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(C(=O)CC2CCCC2)CC1 746234187 HPVMKTZLJPBGSN-QZQOTICOSA-N 402.495 1.544 30 10 HDEE N#Cc1cc(COC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)ccn1 747046511 PNKXKOLTTICJNY-UHFFFAOYSA-N 407.473 1.517 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 748065193 JKFJNZJSPFUMNA-UHFFFAOYSA-N 417.494 1.549 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCCC1 757212972 ZHVOUWFVRUHHRW-SFHVURJKSA-N 412.538 1.869 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)CCCCC1 760402876 YJCLLIRTVCTNKP-MRXNPFEDSA-N 410.540 1.834 30 10 HDEE COc1ccc(-n2cnn(CN3CCN(c4cccc(C#N)n4)CC3)c2=S)cn1 760549355 KDQLMODEAMJPCC-UHFFFAOYSA-N 408.491 1.853 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(-c3ccccc3)cn2)cc1 763791389 QLKMXYZWJCBWHD-UHFFFAOYSA-N 406.467 1.985 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 770895891 XZRQJCBOECHLHY-UKRRQHHQSA-N 423.491 1.781 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@](C)(O)c2ccccc2C(F)(F)F)CC1 773931049 HVOUEOSYZJWMLA-LJQANCHMSA-N 411.424 1.197 30 10 HDEE C#CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 774255363 YGJJGYRHGRDGTN-LPHOPBHVSA-N 404.536 1.439 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774264033 SDCZNWLQKNQLLD-QZTJIDSGSA-N 403.504 1.010 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 780859261 GRSVYOADROSPBR-HXUWFJFHSA-N 402.458 1.461 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ncnc3c2c(Br)nn3C)n1 788558323 FPWBVWAAPBTFNM-UHFFFAOYSA-N 404.272 1.609 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(OC)c(OC)cc2C)n1 788695518 REEFWGXZJSSRIJ-UHFFFAOYSA-N 407.492 1.679 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(-c3ccccc3F)c2)n1 788695656 WESHIEUKBPCIND-UHFFFAOYSA-N 417.466 1.678 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc3ccc([N+](=O)[O-])cc3[nH]2)n1 789253108 WNTQJKZKHHRCOC-UHFFFAOYSA-N 411.422 1.659 30 10 HDEE Cn1nncc1-c1csc(=NC[C@@H]2CCCO2)n1N=Cc1cnn2ccccc12 794838804 LVXDUDPBSQJPAO-HNNXBMFYSA-N 408.491 1.955 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796989692 NPJZKCOSNAQUJA-OAHLLOKOSA-N 411.455 1.363 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 797607192 HSPQPLQHSQWKDT-LJQANCHMSA-N 414.506 1.234 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 802668347 SUBYMXWAZNBXRC-ZDUSSCGKSA-N 419.890 1.608 30 10 HDEE CN1/C(=C/C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 807223876 KHXIXCZLQRNVQH-KKZMPJRSSA-N 423.469 1.521 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)OC(=O)CC3(C#N)CC3)CC2)cc1 815414190 UEVPPQBTPNPVLW-INIZCTEOSA-N 419.503 1.454 30 10 HDEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)c2cnc(C(F)(F)F)c(C#N)c2)nn1 816091155 MSDNUQYNBVLNPN-VXGBXAGGSA-N 411.296 1.147 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@@H]1CCCO1 916197578 YGHZUNLKLCUDHM-AWEZNQCLSA-N 403.410 1.717 30 10 HDEE CC[C@@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916954532 ISTZXZQCCDRHIA-CZUORRHYSA-N 406.446 1.991 30 10 HDEE Cc1c(C(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cnn1CCC#N 1124806217 RXKOCUFIMIESDA-UHFFFAOYSA-N 403.464 1.378 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)c1 1125221684 IFUIGDZBNACZHA-SJORKVTESA-N 401.463 1.652 30 10 HDEE C=C[C@H](COC)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1138582421 CPAGVTFFMMESTC-MSOLQXFVSA-N 424.563 1.834 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@@H]3CNS(N)(=O)=O)cc2)nc1 1140720326 XESOZNCQWCJJBU-MRXNPFEDSA-N 415.475 1.533 30 10 HDEE CN(C)CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1141821026 HQPASDULMVWZGS-PYCFMQQDSA-N 418.523 1.510 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](c2ccc(Cl)cc2)C1 1149521708 AHCKNYPWLFPVGU-MRXNPFEDSA-N 418.906 1.552 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc3cc(Br)ccc3[nH]2)c(=O)nc1O 1153763543 ATSAYHBYMULIAQ-UHFFFAOYSA-N 416.235 1.771 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)COC1 1153867187 ZIAVICJBRNLSBQ-UONOGXRCSA-N 424.498 1.545 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1cccc(C#CCO)c1 1157065337 KWPNGAAXYMBBJW-UHFFFAOYSA-N 406.891 1.701 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H](NC1CC1)C(F)(F)F 1161891530 WFYKOFPDSSIMEV-XHDPSFHLSA-N 418.441 1.414 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc1 1168042180 BPEQSOTUTPSWJN-IBGZPJMESA-N 416.522 1.842 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2 1171612709 CSUGKUNYDSQZNE-IIBYNOLFSA-N 415.494 1.169 30 10 HDEE Cn1c(=O)[nH]c(Oc2cccc(C(=O)N3CCc4ccccc4C3)c2)c(C#N)c1=O 1185179760 GLJZNSBSGOXWGB-UHFFFAOYSA-N 402.410 1.936 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)CC1 1194066699 NOYHXYDKVDLCIP-UHFFFAOYSA-N 400.884 1.846 30 10 HDEE CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@H](O)c1cccc(C#N)c1 1195876933 PMYXOAQXJLVGIJ-SFHVURJKSA-N 402.401 1.557 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)CC1 1225502841 RJYAMTQYVORFEY-QGZVFWFLSA-N 406.552 1.538 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1284822834 FNJHEKRSWSSNNT-XNTOXWQXSA-N 401.551 1.782 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1286290018 NCMSXFUXZRDZHI-HUUCEWRRSA-N 416.503 1.957 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1286442489 BHLVJXCWRRKSDP-UHFFFAOYSA-N 410.503 1.810 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1 1286466070 VQWUFPVLYJVVQV-CQSZACIVSA-N 422.411 1.777 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NCCC)CC1 1286481905 YSDJUXCMZDIICI-LJQANCHMSA-N 424.505 1.072 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccnc2OC)CC1 1286491886 BFDHVVZIWHJQSM-UHFFFAOYSA-N 410.522 1.894 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1286598741 ZYBYNIQPDUZYBV-UHFFFAOYSA-N 418.542 1.331 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286672860 QZNICTRJEVFSLU-YWZLYKJASA-N 421.567 1.641 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1286710867 FCAVFBZUFNMVMO-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286824629 ZJMQAQOPCTWHKL-HNNXBMFYSA-N 419.559 1.046 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1COCCO1 1287216428 FBEUHMBPXBYUHO-GOSISDBHSA-N 411.510 1.800 30 10 HDEE Cc1nccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1290515004 CTQXZWMNNIDMKL-GOEBONIOSA-N 405.528 1.514 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)C1 1292420723 WPZAOILIOCCKDO-JPRIXKOTSA-N 418.538 1.753 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1 1294144372 FABUANGEYXEALB-UHFFFAOYSA-N 413.522 1.812 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1300308905 DZPUJIFSPXRLSL-LSDHHAIUSA-N 407.515 1.815 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300419413 KVYFQQCSRHJLSH-UHFFFAOYSA-N 418.501 1.969 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300509618 QKNUHZPHBQMMFU-KURKYZTESA-N 420.583 1.082 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN(C)CC(F)(F)F)CC1 1300695750 IETPQOZGMRCYOG-UHFFFAOYSA-N 421.471 1.980 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301016873 CIARCZXQOZNJME-MJBXVCDLSA-N 403.936 1.646 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301134966 DQYGXEFTFLKONX-INIZCTEOSA-N 400.527 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301490699 CTBXEUCJXNXQHY-AWEZNQCLSA-N 423.443 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301593999 ZXCMQZHCJVTRBQ-HNNXBMFYSA-N 408.528 1.143 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301609653 MPIMXAHSOJBKMZ-XHSDSOJGSA-N 407.540 1.533 30 10 HDEE CS(=O)(=O)C1(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1302427151 HJUDUPHALSNLPX-INIZCTEOSA-N 407.540 1.707 30 10 HDEE C[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCCC1 1303665763 FSJXKVOLOBKURJ-ROUUACIJSA-N 415.542 1.394 30 10 HDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1304716842 BKKWXKNRBAPALF-INIZCTEOSA-N 416.489 1.825 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 1309505519 GUMPZMJOISHHHW-VWLOTQADSA-N 418.924 1.677 30 10 HDEE Cn1cc(CNC(=O)N2CCN(c3nccnn3)CC2)c(-c2ccc(C#N)cc2)n1 1312480595 LTJWTQLMAOCFFA-UHFFFAOYSA-N 403.450 1.176 30 10 HDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)n1 1314930089 FDBHQGFOAKROGO-QGZVFWFLSA-N 419.493 1.280 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 1320430872 ZYHBLGBYJUAROH-INIZCTEOSA-N 415.450 1.376 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1352905237 NTYANGXZXLOOQH-PKOBYXMFSA-N 402.516 1.706 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1359029358 VSNOCTRETXFZOG-LJQANCHMSA-N 415.586 1.099 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccnn2)CC1 1359225707 INUAGGOPONIFEV-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nccc(C(F)F)n1 1359278335 QMWLDYUIYAMSEY-UHFFFAOYSA-N 421.452 1.929 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359306721 OOYPDKKZRMHYLI-RTBURBONSA-N 411.506 1.880 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCS(=O)CC2)cc1 1359307500 MNEKQEMCLJANRE-UHFFFAOYSA-N 412.519 1.860 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2CCCO)C1 1359321104 ABQSWWADCVUAJE-GUDVDZBRSA-N 405.543 1.410 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359330057 FHTBUJVENQDGPY-IRXDYDNUSA-N 418.567 1.557 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1359375254 GQZZRNVRSOYADG-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1435553582 UWYUXARRVUVYAW-AWEZNQCLSA-N 424.415 1.893 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCc1nnc2n1CCCC2 1446648574 LSOJYQKQMMWNHL-UHFFFAOYSA-N 404.268 1.986 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1449358841 PXMPGQLUVFJZAB-JKSUJKDBSA-N 420.514 1.985 30 10 HDEE C#CC[C@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1451181329 OKUDHFFPHQSEGW-HOTGVXAUSA-N 404.467 1.750 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1451885238 XTFUSLWZEVTHJY-DXUDUQDWSA-N 400.397 1.679 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456061320 KSRSTDOMJIPSMH-MSOLQXFVSA-N 419.551 1.950 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)o1 1457999314 GMJHYDIPGRGBSH-UHFFFAOYSA-N 421.431 1.048 30 10 HDEE COC(=O)Cc1csc(NC(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)n1 1460623518 ZBNZIXOEYDAPDA-UHFFFAOYSA-N 414.487 1.964 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1463101343 PXOWQCPECJGGDN-QGZVFWFLSA-N 410.455 1.197 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1470194507 VLIJOVPHROLORV-UHFFFAOYSA-N 407.492 1.362 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2nc(C)cc(O)n2)C1 1471857760 ZEBWWHXBCNDHCV-HOTGVXAUSA-N 417.510 1.882 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cc1 1472371637 VUWJQBJNYXTFRZ-INIZCTEOSA-N 421.457 1.065 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3ncc[nH]3)CC2)CC1 1473437546 HOAFZEZFTDRGNP-LJQANCHMSA-N 411.485 1.080 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4CCCC4)[C@@H](C)C3)CC2)o1 1473798888 YVEDCTPGBLITIA-INIZCTEOSA-N 400.527 1.452 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CC1)C[C@@H](O)CNC2=O 1473851307 CTCUUXTWFWZZDO-CRAIPNDOSA-N 402.470 1.424 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 1475379480 IRIIOGLKOANYOJ-LBPRGKRZSA-N 401.282 1.739 30 10 HDEE C#C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)cc1 1477790031 PVCITRXQNYBZBH-UPTRSRDDSA-N 417.263 1.949 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1477915918 ONZHFLHBVZHVLU-NRFANRHFSA-N 403.479 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1507545524 FZRQIYUVNZYELO-HLIPFELVSA-N 405.568 1.795 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507571754 LXDFRUBLCBKBTF-IIBYNOLFSA-N 414.510 1.748 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1507646822 UEIHQVXWRNEFMX-GOSISDBHSA-N 414.460 1.769 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1507646825 UEIHQVXWRNEFMX-SFHVURJKSA-N 414.460 1.769 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CC2)CC1 1507736822 TYALTBHMSATQCA-OAQYLSRUSA-N 401.511 1.306 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCN(CC)CC1 1507765394 NQROMRPAKXFKET-AUSIDOKSSA-N 424.597 1.944 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507835893 PJCCGUGXMGDLRA-KSZLIROESA-N 419.526 1.406 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1507914866 PLQRGNQZJZTQPO-AWEZNQCLSA-N 424.571 1.302 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncnn1C(C)(C)C 1513924674 ORDOJOSTBZOAFM-UHFFFAOYSA-N 420.525 1.829 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515078901 NOFLMFQHACQQBI-VQTJNVASSA-N 422.505 1.677 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1COCCO1 1516537470 ARVMPCXIIYVOEW-INIZCTEOSA-N 414.466 1.155 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CC1 1525838424 RNGLTBFHKPDEGR-UHFFFAOYSA-N 424.240 1.895 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1Cc2ccc(C#N)cc2C1 1530024028 JPRZRWACNCKTNB-UHFFFAOYSA-N 400.460 1.074 30 10 HDEE C#CCN(C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1530297852 OEIBETTWFAXVJF-MRXNPFEDSA-N 407.488 1.670 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C3(n4cnnn4)CCOCC3)ccc21 1537429237 PGTFZQHEKJZYQP-UHFFFAOYSA-N 409.450 1.400 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cnn(C(C)C)c2I)C1=O 1538451451 KJZHXECYFCNIRM-GFCCVEGCSA-N 416.263 1.928 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539022254 OCDOIOFELRDOPF-NVXWUHKLSA-N 402.524 1.003 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1539177081 YKVANMGRQWFGPO-OAQYLSRUSA-N 411.510 1.327 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539202593 JSZSELBHEDAKKE-CFAZGSRYSA-N 412.581 1.329 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1539267418 ZKDGLOBJVJQRSJ-HNNXBMFYSA-N 418.469 1.774 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1539803163 FTMPLEYFGDVDNX-MRXNPFEDSA-N 423.926 1.884 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539916285 JBOBQITWAMLGQK-OAHLLOKOSA-N 416.526 1.905 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC)C1CC1 1540095734 ULGHBKKRQAQVLN-NVXWUHKLSA-N 410.588 1.918 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOCC3(CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876433 RAUNCQIHBXVTGO-OAQYLSRUSA-N 419.526 1.238 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C(C)C)C1 1540889927 WRYIZXGCIWGKKT-QGZVFWFLSA-N 401.515 1.622 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)c1 1542096340 JEVLEPASOPQGEA-VEJMJJRHSA-N 422.551 1.673 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1542174043 XDVAEGSUCBSGCA-AEFFLSMTSA-N 410.478 1.481 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1542235121 MRUYXQXZCBWEBN-CMDGGOBGSA-N 405.458 1.483 30 10 HDEE COC[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1555333910 IEIPQEHBRODWST-MRXNPFEDSA-N 407.482 1.641 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)OC 1555641337 XXHKDSVKCYFFAU-UONOGXRCSA-N 416.482 1.572 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)c1nccs1 1555752551 AZLQMEYXTQWCKQ-UGUYLWEFSA-N 418.523 1.991 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)c1nccs1 1555752552 AZLQMEYXTQWCKQ-VGWMRTNUSA-N 418.523 1.991 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(Cc3cn[nH]c3)CC2)CCCN1C(=O)OC(C)(C)C 1557094804 LQWSHMPMJAAODX-OAQYLSRUSA-N 401.511 1.847 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(N4CCC4)CC3)CC2)cc1 1557588378 CHBGVKHWRVEFHQ-UHFFFAOYSA-N 416.547 1.656 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CCC2)C1 1557940424 ADPWEZNVPYFAKK-MRXNPFEDSA-N 404.511 1.337 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)c(F)c1 1558048994 NGTWCYOECCHIQC-UHFFFAOYSA-N 411.437 1.798 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1559942347 UNVKLYYLBIVYHH-KXBFYZLASA-N 409.483 1.350 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 1564926349 RNFLESQHXPXHJL-WMZOPIPTSA-N 424.954 1.771 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3cccc4c3OC(F)(F)O4)C[C@H]1CS(=O)(=O)C2 1565095626 NBHUIHUZWBXOGQ-LRDDRELGSA-N 413.402 1.130 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1569183943 GVWADKBOVKRKKW-QGZVFWFLSA-N 415.446 1.509 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 1583516491 QUPNZVPTHHUHPV-LJQANCHMSA-N 404.532 1.811 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)c1 1585638713 NANADLPSSDJKIH-LJQANCHMSA-N 413.499 1.627 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1587620495 GHKCVFAPNVSDOW-GJZGRUSLSA-N 401.467 1.659 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1587883782 MGAMDUKTEVTSMM-UHFFFAOYSA-N 407.478 1.604 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C(C)C 1587926990 OVRTXWAMCMUZSJ-UHFFFAOYSA-N 407.316 1.888 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2)o1 1587966840 MGMZHMUDNRRTOJ-INIZCTEOSA-N 400.483 1.477 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCN1CCCO 1588016821 WQFFLHSEILNEQH-KRWDZBQOSA-N 401.486 1.912 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1588105367 VZXGFLCFKOSSRO-ZZEZOPTASA-N 404.430 1.446 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1588800394 DOVJOHCRQXKOPG-OAQYLSRUSA-N 423.565 1.452 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1588837079 QEIMZYNURZFRFD-KRWDZBQOSA-N 409.542 1.096 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)C(C)C)CC1 1588876691 FPOJIKUFPGFJOS-OTWHNJEPSA-N 405.543 1.428 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOC(C)(C)C)CC1 1588930329 SRPPDWUQHQDOAE-QGZVFWFLSA-N 403.527 1.563 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589558522 LLTJUBMSPVOAPO-HQRMLTQVSA-N 410.522 1.912 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@@]1(OCC)CCOC1 1593933087 VPMMNJOOKMLOTO-LJQANCHMSA-N 413.950 1.841 30 10 HDEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594115563 UTNXUQOBLPDZKQ-GOSISDBHSA-N 408.549 1.636 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCOC)CC1 1594182097 SHHPBTWPJOHCHB-KSSFIOAISA-N 415.560 1.078 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1595501469 VEVHKAITCWTLBK-RBUKOAKNSA-N 422.533 1.867 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1595585114 SWYFILKEGZMTTD-UHFFFAOYSA-N 421.500 1.671 30 10 HDEE CC(C)(C)C(=O)NCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1596951883 UFUSZZZRQPQRPI-UHFFFAOYSA-N 409.494 1.853 30 10 HDEE C#CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597138215 JXZKPWAZTQUIEY-HOTGVXAUSA-N 400.541 1.965 30 10 HDEE COc1ccc2c(n1)N(C)CCN2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1598249845 CIHBTFVLGNKGPJ-UHFFFAOYSA-N 415.475 1.379 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1613558407 ATHAOSOPJDOMRH-RBSBEOHCSA-N 424.546 1.940 30 10 HDEE CC[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1614164581 REONREQICWULPF-UFOSLELVSA-N 408.466 1.640 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1618636499 PLDFDYVSYPBFDD-IAGOWNOFSA-N 407.478 1.058 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1619615056 VRJHVCYMTRPEDB-ROUUACIJSA-N 400.458 1.906 30 10 HDEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1619702542 GZRHHORJDWIDGR-GOSISDBHSA-N 422.493 1.883 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnc2n1CCCCC2 1619967370 BQRLGXAANPAROC-HOTGVXAUSA-N 416.530 1.964 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1621936212 DDDQWSQUWGVXSL-MOPGFXCFSA-N 406.504 1.697 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 1622018748 CVHCHMZGNMRPNQ-GOSISDBHSA-N 424.482 1.551 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OCC 1622506339 JTMDOCDPIKCGQA-AWEZNQCLSA-N 400.522 1.829 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1624062265 OABNXWKWGVIYNS-UHFFFAOYSA-N 409.467 1.049 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1625179146 KQQDSNIGYRLTGH-OAQYLSRUSA-N 401.463 1.485 30 10 HDEE COCCN(CCC#N)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1626868274 MZNZXRAFLINMLB-UHFFFAOYSA-N 421.295 1.909 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1627294376 AOGXMPJTBOOGFF-LSBZLQRGSA-N 414.487 1.657 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 1627790706 RIVAATGIEUYMPY-QGZVFWFLSA-N 400.479 1.577 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccn3nccc3n2)nn(-c2ccc(F)cc2)c1N 1629821289 WGBVURSFRQJXQG-UHFFFAOYSA-N 404.409 1.871 30 10 HDEE C#Cc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1632750787 HTLHFDXCKABGLB-FQEVSTJZSA-N 405.502 1.663 30 10 HDEE C=CC[C@@]1(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1633437918 LNWLRHVYNPDLLK-FQEVSTJZSA-N 416.482 1.722 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@]3(C2)C(=O)Nc2ccccc23)c1 1633479707 HJEWANJKTFREPM-FQEVSTJZSA-N 413.430 1.859 30 10 HDEE C=CCSCCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1634183518 ATAVFLSXPOQNLX-CQSZACIVSA-N 413.540 1.957 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1634554443 ACCJYHDBIOQMJO-HXUWFJFHSA-N 417.575 1.838 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)nc1 1635890412 SJAKVBXQZMWGCC-UHFFFAOYSA-N 407.478 1.669 30 10 HDEE C[C@H](CC(=O)N(CC1CC1)[C@H](C(N)=O)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1635977970 RCEYJBNFMXXHJC-XIKOKIGWSA-N 418.519 1.006 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](c2nn[nH]n2)C1 1636502205 NSYJSONBHZFAID-DOTOQJQBSA-N 423.477 1.922 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCCn2cnc3c(N)ncnc32)C1 1639270549 ZKUVRZXWHCJPKZ-KRWDZBQOSA-N 404.478 1.798 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)c1 1639818284 GBOJJISXXCKARB-FQEVSTJZSA-N 411.527 1.597 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1)C(=O)OC(C)(C)C 1640431568 KYEOITSQFBJMMD-VXGBXAGGSA-N 412.430 1.291 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]c(C#N)c1 1641023899 JHJUJIRZAAKTTJ-OLZOCXBDSA-N 414.384 1.880 30 10 HDEE COc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1=O 1641325426 ITUQIZACAHOJGD-QGZVFWFLSA-N 411.418 1.174 30 10 HDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1641600753 MGGHIOBUKXPSGO-ISLYRVAYSA-N 424.498 1.245 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1641858254 MXTOMQBESKHJDM-IAGOWNOFSA-N 407.511 1.294 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CC)c2cccc(S(N)(=O)=O)c2)c1 1642505673 UJZDZXDXBZSDME-SFHVURJKSA-N 414.487 1.704 30 10 HDEE C#CCCN(CCOC)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1643948344 PYIOIHOLKHPGRP-UHFFFAOYSA-N 407.536 1.188 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC[C@@]2(O)CCCOC2)C1 1644312383 TUPHBJJOGDZRNW-SFHVURJKSA-N 408.296 1.805 30 10 HDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1645730055 OJOAPIICKWULSU-UHFFFAOYSA-N 422.503 1.205 30 10 HDEE C=CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1645772239 VNCKNNUOTYPZSQ-UHFFFAOYSA-N 414.549 1.437 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1648633063 FWXNNRMSYBKSKE-PCCBWWKXSA-N 403.479 1.291 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1649560599 GNEHERQISNVGNP-WNNBVUDTSA-N 415.519 1.865 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCC[C@@H]3C#N)CC2)cc1C 1655296745 MCBMPBZLISPVDB-UYAOXDASSA-N 418.563 1.760 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(CC(C)(C)O)C2)cc1 1658320957 PABRUQLHWXVVSZ-INIZCTEOSA-N 410.540 1.460 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC1 1659694256 CREMZLOGJDJXIV-OKZBNKHCSA-N 405.543 1.372 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cc(I)cc(C(=O)OC)c1 1668435973 BGMFTJMHUGNJJY-ZDUSSCGKSA-N 414.199 1.944 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)nn1 1671576707 OLEUKEQDIAZOLS-KRWDZBQOSA-N 407.434 1.114 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC1(N2CCOCC2)CCOCC1 1683030825 CGSGUICZGRQYOC-UHFFFAOYSA-N 416.522 1.598 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc(N3CCNC3=O)cc2)n1 1683522236 ACMTUJLAEONETL-QGZVFWFLSA-N 424.505 1.965 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 1685177171 MYAKIMHCOLXBLP-SJLPKXTDSA-N 408.340 1.997 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1689978190 OMSHSKUFVNADJK-YESZJQIVSA-N 401.490 1.545 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689987875 DSXWSCDMPRTGPR-CYBMUJFWSA-N 413.450 1.182 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988252 LOVGLPXPEJIQOR-RCCFBDPRSA-N 406.552 1.843 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1690203194 TVGIWROFUDCUIH-IIBYNOLFSA-N 410.453 1.999 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C1CC1 1690259438 JMNGBIOSCDYDMY-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690309898 NECYAUFKLIWJGA-MSOLQXFVSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OCC=C)C1 1690666794 HARRKAOBSJEOTR-INIZCTEOSA-N 411.462 1.757 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCSCC2)C1 1690685289 ZOWUECRFQLSOKA-QGZVFWFLSA-N 420.583 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCC[C@H]21 1690731879 SFRZQVUTNKIERS-XDNAFOTISA-N 424.567 1.982 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1691009196 VIDHKWSDTDFZAR-SOUVJXGZSA-N 418.523 1.405 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1692592219 VGWBJQICWNUZBM-YWZLYKJASA-N 414.514 1.643 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n(C)n1 1693405287 HLMXELMRUNTCHM-FXAWDEMLSA-N 415.498 1.138 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1=O 1695856952 ZZZSINJZPHRRON-QGZVFWFLSA-N 407.478 1.154 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1O 1698442728 KUCGBAYGKXGFCT-KYJSFNMBSA-N 410.478 1.214 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCSCCCO)CCN1C1CC1 1698493952 QQTYOXWNMHEBNZ-INIZCTEOSA-N 414.539 1.027 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1705485005 AXWDABAPRLABBS-APWZRJJASA-N 422.493 1.574 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705553448 YBMSGYSQDSMVHM-MRXNPFEDSA-N 418.519 1.724 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1705561173 QQZUGNLQJRJIKA-QGZVFWFLSA-N 417.535 1.258 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705564440 OJFORELXKOKIQU-WMZOPIPTSA-N 415.519 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(C)(C)O 1705579994 AVZOPNSCPZTJSW-UHFFFAOYSA-N 418.501 1.909 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1705598515 KZSHNCUNNOABKL-MRXNPFEDSA-N 417.560 1.765 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc(COC)n2)CC1 1705639101 GFGUAMIXNCSZPI-INIZCTEOSA-N 416.551 1.579 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1705641532 JDCXMLMBUSNYSJ-RTBURBONSA-N 414.598 1.874 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705693681 JORVQDCFBHQUGA-APWZRJJASA-N 413.526 1.969 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1705950394 ZOWGPJUGIJGIHC-KXBFYZLASA-N 409.556 1.516 30 10 HDEE CC(C)Cc1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706431203 GJGHAFDRRGPNSA-HNENSFHCSA-N 414.510 1.620 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710463541 GOPGLAHYCPLCDQ-VLIAUNLRSA-N 414.466 1.145 30 10 HDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CC1 1711551519 GSQZKUVTVSATCK-ZWKOTPCHSA-N 415.519 1.865 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722365443 DQALYFIJGHNKLT-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccncc1 1722387491 WYUDVKAALRVCSE-UHFFFAOYSA-N 404.499 1.980 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCSC2)CC1 1722559482 YVHMIRLXHWDHCR-LJQANCHMSA-N 400.508 1.950 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1722717562 BYVCSILQPPKPGA-VAMGGRTRSA-N 419.570 1.920 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)N(C)C 1726673336 XUHBEYGTKXQAOG-LQWHRVPQSA-N 423.565 1.924 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)CC1 1728634828 GNNZIMJUUCFOJG-QZTJIDSGSA-N 411.558 1.605 30 10 HDEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1730510312 CYKUIWZQDSMFGJ-YJBOKZPZSA-N 424.571 1.835 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1730705220 LTIVRLRKYIVBKO-AEFFLSMTSA-N 410.478 1.480 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1730730281 HXQCHEDSVSGXEM-IBGZPJMESA-N 419.461 1.026 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1740549255 DQZVMBJQUAKSQI-AEFFLSMTSA-N 402.520 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740552282 NSHFNAWULIXUPT-GJZGRUSLSA-N 405.499 1.534 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1740781330 CBPGFZGMEGOFJX-KRWDZBQOSA-N 418.542 1.565 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)(C)C 1740941847 UWWSDXKVYJCNQB-CVEARBPZSA-N 414.572 1.880 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1748751911 OCSYAFMMZGKIHH-UHFFFAOYSA-N 413.551 1.434 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1748758087 RPSDBXDFXVFZJB-HNNXBMFYSA-N 412.460 1.887 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1748802912 TXUIWWWRUQQWJC-MRXNPFEDSA-N 417.535 1.654 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1748816905 ATNQMODJZXRJCW-MRXNPFEDSA-N 404.540 1.275 30 10 HDEE C#CCN(c1nnc(CC)n1CCCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1748817157 FZBTXZIISCKWAT-SFHVURJKSA-N 401.536 1.803 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1 1748951065 SCNFERMXBPIWLB-MRXNPFEDSA-N 405.524 1.331 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749126456 CKNQBYYHDARDPC-ICSRJNTNSA-N 416.570 1.737 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C 1749140054 LFASADUHNMFEDX-SJLPKXTDSA-N 405.543 1.852 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1749368241 FWDDFZFSEBLURQ-MRXNPFEDSA-N 409.556 1.980 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1749513660 WYJALTYCRNHBQZ-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749657885 FAGIMNHMUHVKIO-KSFYIVLOSA-N 422.489 1.503 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)C1 1749711755 CAGAOEZMJIDVAB-IAGOWNOFSA-N 424.567 1.921 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCCC2)CCO1 1750386395 GJNHWAIVCMTFGU-KRWDZBQOSA-N 401.515 1.119 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(Nc2cccnn2)CC1 1760278980 NFYGRERRDCWELL-UHFFFAOYSA-N 423.550 1.916 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760328086 QELCBUNLVWQICV-WFXMFSGNSA-N 408.499 1.156 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1760461585 ZQTICYPTIZGPDD-MAUKXSAKSA-N 424.505 1.866 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760522549 WEODYWXBGGNDKX-XHSDSOJGSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760526565 CIIKGAXMCBUXGN-UHFFFAOYSA-N 424.553 1.738 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1767105548 UVXMRSNCXQFXKL-AZUAARDMSA-N 415.586 1.938 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)c1 1768357946 AOMFCTUJWLORQH-YCRPNKLZSA-N 414.510 1.767 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CCC1 1771342848 CKSDLHYNMFZELM-INIZCTEOSA-N 407.540 1.879 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)c2nccnc2N2CCOCC2)CC1 1849721498 NMURXGGISNVZSO-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(CC#N)cc1 1849826451 JEIZSPITKQNYBF-CQSZACIVSA-N 418.441 1.824 30 10 HDEE C=CCN(C(=O)CN(C)c1nc2cc(OC)c(OC)cc2s1)[C@H]1CCN(C)C1=O 1849909953 OKDPNQMUZJVVPS-AWEZNQCLSA-N 418.519 1.995 30 10 HDEE Cc1nn2c(C)c(C(=O)NCc3ccc(CN4CCOCC4)cc3)cnc2c1C#N 1852520072 GTBFOMGVRXUZEM-UHFFFAOYSA-N 404.474 1.980 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CCc3nc4ccccn4c(=O)c3C2)cc1 1853416534 XVPPNAPSLMUJQJ-UHFFFAOYSA-N 405.458 1.615 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(C)c(C)c2)C1=O 1853827401 BOOIGLYNNZQFJM-WOJBJXKFSA-N 413.518 1.919 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854405448 IVQHJPSESHSSKS-QGZVFWFLSA-N 415.515 1.590 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1854431788 HRJNIZWBHBVQOZ-CQSZACIVSA-N 417.487 1.283 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(c3ncc(F)cn3)C2)C(=O)C12CCCC2 1854465975 YBVVUFIEDWFPSP-OAHLLOKOSA-N 414.485 1.728 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c(OC)c1 1854957378 XMLZUVSSNBKNMC-SJORKVTESA-N 414.506 1.755 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCSc4ncccc43)C2=O)CC1=O 1854981012 VNGIJDGIGXMVGY-HOCLYGCPSA-N 400.504 1.546 30 10 HDEE Cc1c(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cncc1-n1cccc1 1855073048 SQCPNNPWQUUUGD-SFHVURJKSA-N 406.490 1.453 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855252321 DUAARAXOUHOHBY-FUHWJXTLSA-N 411.568 1.606 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3F)c2)C1 1855725123 RUCHIIVAYIRUHP-MRXNPFEDSA-N 410.449 1.870 30 10 HDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1C 1856152483 GMGKVZQWZGYHOF-OAHLLOKOSA-N 407.492 1.374 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)C1 1856550438 QCHPMXKBDNKWPR-JKSUJKDBSA-N 402.495 1.606 30 10 HDEE Cc1oncc1CN1CC[C@@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)C1 1856843723 IUEHSXMBCSTUTE-HXUWFJFHSA-N 407.474 1.343 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCCN([C@@H]4CCOC4)CC3)CC2=O)cc1C#N 1856940020 CMOINLWVSINMIQ-WIYYLYMNSA-N 410.518 1.652 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)COc2ccc(OC)nc2OC)C1 1857002493 ONJWPCAQPCOQDV-HZPDHXFCSA-N 403.479 1.893 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(CCN4CCOCC4)CC3)CC2=O)cc1 1857026330 JWNSTWZWVHJUGC-NRFANRHFSA-N 410.518 1.591 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857281567 MAYRLNVWQYSBSQ-NVXWUHKLSA-N 403.454 1.298 30 10 HDEE N#Cc1ccccc1NC(=O)CCc1nnc(=NC(=O)c2ccc(F)cc2)[nH]c1O 1859094337 ZQKAUKRPMOPPME-UHFFFAOYSA-N 406.377 1.833 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 1860729647 MRNQUGAGJQTMRG-XBXARRHUSA-N 423.428 1.702 30 10 HDEE COc1cc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2)cc(OC)c1OC 1870098206 RZUGEBPBJPNTCP-UHFFFAOYSA-N 415.431 1.966 30 10 HDEE O=c1c(Br)c(N/N=C/c2ccccn2)cnn1[C@H]1CCS(=O)(=O)C1 1873526900 BPWPFSZOGMAOBY-MIUNIBSDSA-N 412.269 1.206 30 10 HDEE CCCNC(=O)CSc1nnc(C)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874531148 TYOMGLMXSJUSDA-DJKKODMXSA-N 420.451 1.766 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1886031989 TYDOXYJSRVJCEF-RYUDHWBXSA-N 401.460 1.550 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3onc4c3CCCC4)CC2)CC1 1889241794 VDQCPVSNJYCRDK-UHFFFAOYSA-N 400.523 1.425 30 10 HDEE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NC(=O)C#CBr)CC1 1982298710 ZTWZNPWHQVROGV-HSZRJFAPSA-N 408.318 1.824 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985100085 CVJNMFPMZOQLPW-CABCVRRESA-N 410.320 1.907 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1nnc(CCNC(=O)OC(C)(C)C)o1 1994103298 BYJAUJXUCYLWFL-UHFFFAOYSA-N 411.278 1.787 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010396513 NKACPXLOVBXTRE-UHFFFAOYSA-N 423.319 1.417 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010403620 GWFHQWMWJFPOEM-ZDUSSCGKSA-N 424.282 1.967 30 10 HDEE C=C(CNS(=O)(=O)c1nn(C)cc1Br)B1OC(C)(C)C(C)(C)O1 2020859700 IFYSLVDGERMOLN-UHFFFAOYSA-N 406.111 1.649 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#N)ccn1 2066428934 QJDWYDSSLGUJQB-GOSISDBHSA-N 402.407 1.719 30 10 HDEE C#CCN(C1CC1)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2146053703 ZKJJHBREXZGLNE-UHFFFAOYSA-N 405.213 1.776 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2174778793 BDXIUBMJNMTWKN-XUWVNRHRSA-N 400.545 1.948 30 10 HDEE COC(=O)CS(=O)(=O)N(C)[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186601439 DRBLMSJMKYAUPI-NSHDSACASA-N 403.331 1.543 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2212758601 NJMUHZMDSXFERK-CYBMUJFWSA-N 408.260 1.738 30 10 HDEE CO[C@H]1CC[C@H]1CS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2239412855 SFDZEMIQYCWMKI-WFASDCNBSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243384331 NUHVHNZIXVOFRE-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815389 ZTNCNMJUGIIWSI-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE CC(C)[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2247916616 AYVDAYGORAOUGN-AWEZNQCLSA-N 422.335 1.988 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247916722 CRYZOOJBGHDCQO-OCCSQVGLSA-N 420.319 1.742 30 10 HDEE Cn1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)nc1B1OC(C)(C)C(C)(C)O1 2255653240 GIAOJVCOKPIECN-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE C=CCC(C)(C)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258166882 AUVHAEMDBLJVKT-MRXNPFEDSA-N 412.508 1.976 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@@H](C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282312403 WIGCYFPLZASTPL-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282336986 IMDBBHDRVGNLML-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE CNC(=O)C(C)(C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341840 YNYFAVCZKKONNA-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)CN1C 2282344663 COUXVOGQBKIQEN-QWHCGFSZSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H](O)C2)OC1(C)C 2282499198 BBEYSFCAVFBAEA-LBPRGKRZSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@H](CN)C2)OC1(C)C 2282499407 OVKQMLDLYIIRNM-LBPRGKRZSA-N 400.737 1.609 30 10 HDEE CC[C@@H](CO)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282504939 WKEFDDBMWXHPMS-CYBMUJFWSA-N 403.375 1.961 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H]2CCNC2)OC1(C)C 2282506181 ONUPSGPNVJACCJ-CYBMUJFWSA-N 400.375 1.466 30 10 HDEE CN[C@@H]1CCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282507181 CUQCVIGMSBGQIU-CQSZACIVSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](F)C3CNC3)cc2Cl)OC1(C)C 2282831770 DQRFRSKLHWIDRI-LLVKDONJSA-N 424.756 1.537 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282866555 LNBWOWRRJQICGC-STQMWFEESA-N 400.375 1.822 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(C(=O)O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2284398549 ZFWITUGHYBTJJS-UHFFFAOYSA-N 401.315 1.499 30 10 HDEE C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415567 YKWVUWJFQAUOPN-ZYHUDNBSSA-N 401.315 1.674 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2302853180 VMDQRVVRYYBFLT-AWEZNQCLSA-N 411.267 1.891 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)CC1=O 2329021187 BVJLVSWJECRFDI-ZDUSSCGKSA-N 402.480 1.168 30 10 HDEE C=CC[C@@]1(CO)CCCN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2360591576 XHXRHZPKHJFKTC-RDTXWAMCSA-N 404.529 1.102 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@@H](O)c1nn(C)cc1I 2361289129 YHEPBDGRDQTYCS-DGCLKSJQSA-N 405.305 1.935 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365192659 DAJFFJDEQKMJMB-HUUCEWRRSA-N 403.541 1.979 30 10 HDEE CC(C)(C)OC(=O)NC1(C(F)(F)F)CC(O)(C(=O)C2=CCS(=O)(=O)CC2)C1 2365923803 GJOJVRJVLZFIPF-UHFFFAOYSA-N 413.414 1.651 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367791447 YLZLIEHEEPVSLT-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367793120 UEIFXBJLWFNDGR-SCLBCKFNSA-N 401.481 1.436 30 10 HDEE C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367797472 VAFWHZOWCYGPPM-KKUMJFAQSA-N 402.557 1.991 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2367815474 GUUMQDGHZYEVGN-IFXJQAMLSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)CO2 2368728085 FIXDGQCMENBRLX-ICBQKXGSSA-N 402.513 1.584 30 10 HDEE Cn1c(O)c(-c2cc(-c3ccc(Cl)cc3)n3ncc(C#N)c3n2)c(=O)n(C)c1=O 21658722 NCZWFTIKBNAEJZ-UHFFFAOYSA-N 408.805 1.691 30 10 HDEE COc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1OC 169907744 IDOVGJMNDXQFSK-CAOOACKPSA-N 422.375 1.359 30 10 HDEE COC1=CC[C@@H]2C[C@@H]3O[C@H](OC)C[C@@H]4[C@](C)(O)[C@H](OC)[C@H](O)[C@@H]([C@@]34C)[C@]2(C)C1=O 257396986 CMAMLOVJSUVTPI-LVHKCILOSA-N 410.507 1.656 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1 409493735 XEFXYGJGEVCZIV-WBAXXEDZSA-N 414.478 1.547 30 10 HDEE CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cs1 409748979 KIHHNDUHGMXSCE-KGLIPLIRSA-N 403.512 1.609 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)cn1 429532876 FCXKJAYQLURFMI-GFCCVEGCSA-N 407.356 1.671 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1=O 439523539 OUZXDKOPLACKHS-AEFFLSMTSA-N 421.519 1.890 30 10 HDEE N#Cc1cc(NC(=O)C(=O)NCc2nnc3ccccn23)ccc1OC(F)(F)F 443153777 FHGFSGGDSVIZCU-UHFFFAOYSA-N 404.308 1.754 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)C1CC1 464398676 WVLVHNFYXROKSN-FKGJNOFZSA-N 401.466 1.884 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 465193790 JWBGAFQHVURGCT-DNVCBOLYSA-N 420.473 1.817 30 10 HDEE CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@@H](C)n1cnc(C#N)n1 466978155 WULSWBMHDNNXOV-LLVKDONJSA-N 411.422 1.425 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COc2ccccc2O1 474589575 MMBSLOQHPVPQTP-ZFWWWQNUSA-N 401.444 1.181 30 10 HDEE C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)cc1 477419632 BHFYAOKQCOFBHF-UHFFFAOYSA-N 406.485 1.733 30 10 HDEE N#C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(F)cc1 479320702 VPIVWRPTZWXPFU-AZUAARDMSA-N 406.417 1.982 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NCCCc2nnc3ccccn23)c1 490454765 VPACCHNBTNLYCD-UHFFFAOYSA-N 414.372 1.890 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 507592294 VOBYWMHTWQXZFA-UHFFFAOYSA-N 406.508 1.537 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)cc3)n2CC=C)CC1 508886195 XYMROBLBPMZPSL-UHFFFAOYSA-N 410.522 1.776 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508931666 QARPOXRXPFYPDL-MRXNPFEDSA-N 410.457 1.726 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N(CC)S(C)(=O)=O)CC3)cc2C1=O 520187678 YZXKNDVPYXHCOY-UHFFFAOYSA-N 419.503 1.355 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCN(c3ncccc3C#N)CC2)cc1 523706079 VPNZISCKZBYPGD-MRXNPFEDSA-N 407.474 1.567 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 537314013 HVKJCYOMKCMUIV-UHFFFAOYSA-N 422.470 1.111 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 541376213 PIAHGWXDIBPXPJ-UHFFFAOYSA-N 409.494 1.578 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 541668026 IJQPVTQOSVRQGO-KRWDZBQOSA-N 421.457 1.536 30 10 HDEE CC#CCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 544580830 BFFSECRRIZFMLF-UHFFFAOYSA-N 401.282 1.332 30 10 HDEE CCN(C(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21)[C@H]1CCS(=O)(=O)C1 549198683 QGRUBEWVHRNOBO-AWEZNQCLSA-N 421.906 1.871 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C[C@]3(C)NC(=O)NC3=O)cc2C1=O 553447808 FWNCINOHZDOYAU-ZSEKCTLFSA-N 410.430 1.061 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cc1 553696810 LDBGQFSUZMAPGU-SIKLNZKXSA-N 419.485 1.830 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCN2CCN(c3ccccc3)CC2)c(F)c1 568156153 XTESHOQWTWERHH-UHFFFAOYSA-N 402.495 1.939 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 578606307 QEFNIWITSZUPSN-OAHLLOKOSA-N 407.544 1.578 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)c(F)c1 588120693 HMPBZPPOGOHRDR-UHFFFAOYSA-N 424.498 1.676 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2CC)CC1 596940395 RGCHVMFQLMBKQU-UHFFFAOYSA-N 416.913 1.543 30 10 HDEE CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610531414 DFLYYEFJQDTSFI-UHFFFAOYSA-N 418.450 1.641 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C 731730452 NEBPHYIIEDCWFA-CYBMUJFWSA-N 402.538 1.912 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 732416064 CHQPTAMWRNLQBI-YPKPFQOOSA-N 414.390 1.331 30 10 HDEE COc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC(F)F 732446886 WWZXZHXUYXUYTP-NXVVXOECSA-N 410.377 1.622 30 10 HDEE N#Cc1cccnc1NCCNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 733255671 KPXYSMJSPKLNMM-HXUWFJFHSA-N 414.469 1.918 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734293667 GYVKYKVMHAWCSZ-UHFFFAOYSA-N 406.485 1.708 30 10 HDEE CSCCc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 737304923 DIYZOLPLNLNAKH-WUKNDPDISA-N 402.476 1.173 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 737972701 RUBWWALYNXDWDH-LZWOXQAQSA-N 420.535 1.444 30 10 HDEE C#CCN(C(=O)CCSCc1nc(O)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 739700947 OYYBTNYGOOFDPC-AWEZNQCLSA-N 419.528 1.608 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(c2ncnc3sccc23)C1)[C@@H]1CCS(=O)(=O)C1 742573417 NHFPMDKFSUPCML-HUUCEWRRSA-N 418.544 1.557 30 10 HDEE COc1ccc(COC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 747071413 XXYZJXFZMTZQLJ-UHFFFAOYSA-N 403.435 1.689 30 10 HDEE CNC(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)ccc1Cl 747494679 CFLKEEPLBUSFDO-UHFFFAOYSA-N 400.822 1.835 30 10 HDEE C#CCN(C(=O)c1cnc(SC)n1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 751275215 PHIWZOYAKLRESK-HNNXBMFYSA-N 407.492 1.996 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 754313481 BRCRAWMUJZHNDV-ZDUSSCGKSA-N 417.306 1.132 30 10 HDEE N#Cc1nccn1CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 760179406 MLESJRVZJLSWND-UHFFFAOYSA-N 400.464 1.644 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 761161207 VZHKFHNIKODMTG-ZCXUNETKSA-N 405.401 1.656 30 10 HDEE C[C@H](NC(=O)CON=C(N)c1ccc(COc2ccccc2F)cc1)C(=O)N(C)C 762723929 CCVARIIPUOCDMD-AWEZNQCLSA-N 416.453 1.635 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 764400635 KHCACRCJIUDFDW-QITAFNTKSA-N 419.432 1.536 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 771395218 CALUMSNTRZMOLI-ZWEDTICHSA-N 404.373 1.103 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@H]1CCS(=O)(=O)C1 773315371 SLLVUTSPHDMPND-IBGZPJMESA-N 418.563 1.791 30 10 HDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1)[C@@H]1CCS(=O)(=O)C1 774048810 QKUBCJCJFFFRNG-OAHLLOKOSA-N 413.521 1.411 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1)[C@H]1CCS(=O)(=O)C1 774052650 LROBVPJZEFCECG-AWEZNQCLSA-N 418.454 1.333 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H]1CCS(=O)(=O)C1 774149229 VGVNZSAARGNJKZ-APWZRJJASA-N 406.504 1.987 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)ccc2C)c1=O 777941986 TXTUIXGCJLEVIH-UHFFFAOYSA-N 400.475 1.876 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1C[C@H]1CCCO1 790420977 KSBRPPZJRQGBSJ-LJQANCHMSA-N 407.495 1.904 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 790583261 ZEXNWIKKTZNELD-JOCHJYFZSA-N 418.538 1.226 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cnn(CC4CC4)c3)CC2)o1 793276603 PHHBPNCCVFOVPJ-UHFFFAOYSA-N 418.479 1.183 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 796991768 OTVTXIVCONQKNM-CHWSQXEVSA-N 404.471 1.357 30 10 HDEE C#CCCn1c(-c2cnn(C)n2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1 803170663 XHSWQOMCWJHPGL-UHFFFAOYSA-N 416.532 1.851 30 10 HDEE N#Cc1ccc(NCCNC(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)nc1 806413293 ZTZBWHHMPVXMGP-DLBZAZTESA-N 420.473 1.584 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2cnn(C)n2)C1=O 807931390 DPQISQBYFDOEPR-CYBMUJFWSA-N 424.433 1.684 30 10 HDEE CC(C)NC(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916947102 UWTJDIPFQZGCEC-MRXNPFEDSA-N 411.911 1.974 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1132934518 LZTHHMBYFQQRAA-OAHLLOKOSA-N 402.900 1.975 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(c3nccs3)CC2)c1 1136412923 XIXVTGQXBAKSCY-UHFFFAOYSA-N 408.480 1.932 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1ccccc1 1137371210 HXZMWVQJOJPCCV-KRWDZBQOSA-N 400.479 1.879 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2NC(=O)OC(C)(C)C)CC1 1140132304 CXFRJWCGNGALPL-UHFFFAOYSA-N 418.469 1.680 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(=O)N(C)C)C1 1142169504 CAOGDLUMJIZPKW-ZBFHGGJFSA-N 420.535 1.221 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4noc(CC)n4)CC3)n[nH]2)c1C 1144248636 VKALZWGWSROCEY-UHFFFAOYSA-N 424.509 1.979 30 10 HDEE Cc1c(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cnn1CCC#N 1145034290 MNHXBTMVCRDYRF-UHFFFAOYSA-N 412.469 1.432 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 1150390900 XFOSQFRDSSAPRN-HUUCEWRRSA-N 401.529 1.081 30 10 HDEE Cn1cc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(=O)c2cnn(C)c21 1150656603 HPCZGPQKCCVVLS-UHFFFAOYSA-N 406.446 1.357 30 10 HDEE COC(CN(CCCO)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)OC 1154768939 BTEYRGMVIYBERM-CQSZACIVSA-N 409.870 1.394 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1179365846 ADZJTFDWWCFJPT-QAPCUYQASA-N 401.463 1.922 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)ccc2c1=O 1184416398 NMMAVTGXNQHEMN-MSOLQXFVSA-N 414.531 1.542 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 1196677269 XPUIUEQIDFLYMO-JONQDZQNSA-N 411.428 1.373 30 10 HDEE C=C(C)CCNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1225043312 XTXGUZMVRAXIDU-UHFFFAOYSA-N 419.525 1.056 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(C3CCOCC3)CC2)n1 1230832480 YTZMEIOQVLEHGL-UHFFFAOYSA-N 417.554 1.565 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1255292079 GUIGXFLXVJYNGV-SFHVURJKSA-N 420.558 1.357 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1286301043 GPCHOGRBWIRSED-OAHLLOKOSA-N 401.492 1.621 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286385872 QKAAPDKITULIOM-WMLDXEAASA-N 418.567 1.817 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1286389387 JARNJJQKRBFDID-MRXNPFEDSA-N 407.540 1.089 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286392574 IPUUBKDXCKRBET-CVEARBPZSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286393670 MEXBNPOVRWTAFX-FJIDUMEYSA-N 422.551 1.081 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C 1286717212 YKWRTWGZGZNSDE-GOSISDBHSA-N 418.586 1.911 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286810227 ORNRHBFBHRXIPV-CVEARBPZSA-N 410.540 1.531 30 10 HDEE CC(=O)NCCCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1286954307 DTCABKTVWKQVIL-SFTDATJTSA-N 418.542 1.975 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1288517936 GYMBOUHCMZYGML-HNNXBMFYSA-N 411.514 1.279 30 10 HDEE Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1\N=CC=CC1=O 1290725659 SQNUJENGCGYLMN-FOCLMDBBSA-N 404.862 1.136 30 10 HDEE N#Cc1cn(CCC(=O)N2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=O)nc1O 1291911623 IAPWUAUTULVNFL-UWVGGRQHSA-N 412.290 1.800 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1298397751 ABVQTGARCQPPIB-QGZVFWFLSA-N 420.477 1.377 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1298784859 DKVWGYOCHJGMTO-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1300272877 NZZYCFRWFOLXKL-HOTGVXAUSA-N 404.540 1.483 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)CC 1300290518 NJLWVBIAGAMHOH-ZDUSSCGKSA-N 405.480 1.071 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300356277 BDJZOMCPGVBWCW-DLBZAZTESA-N 401.511 1.807 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 1300393026 RLCQKNDVVXMAQA-OALUTQOASA-N 409.421 1.309 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1300428798 OIQICNNWHBLTHD-UHFFFAOYSA-N 412.494 1.001 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(CC)CC 1300455232 HAVPOLKWZWSHCX-MRXNPFEDSA-N 407.522 1.992 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1300491813 IXMLRHPICMLRCN-IEBWSBKVSA-N 419.595 1.903 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1300982293 GGRCYEYCUVUURE-QGZVFWFLSA-N 411.510 1.973 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1301305001 NAPZNRPLSGHCTK-UHFFFAOYSA-N 402.524 1.843 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301510398 WRQPYMSMIUBOSX-FUHWJXTLSA-N 424.505 1.183 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1301520944 UUZLZZHHHAFVGG-IAGOWNOFSA-N 415.498 1.226 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)C1 1301535444 LBTNUTRVJBGVCE-OXJNMPFZSA-N 405.499 1.101 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2COCCO2)C1 1301542629 DHOYJWRPUKWWGS-BBTUJRGHSA-N 422.526 1.515 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@@H]1C 1301886782 BEVDCMYBDSIEGG-KRWDZBQOSA-N 420.521 1.755 30 10 HDEE CSC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1302634740 OQGGKHJCCOWHJR-KXBFYZLASA-N 407.540 1.943 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1303706995 GFZUPSITWWEVIS-QGZVFWFLSA-N 418.505 1.964 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1305114018 BORJDVYJLIDJJL-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(C#N)c1 1309051847 CFAARDVCZXBCDT-UHFFFAOYSA-N 424.342 1.317 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 1312600936 ASBHAIJSSCAVBA-UHFFFAOYSA-N 405.442 1.863 30 10 HDEE C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)OCC 1320134303 VVDZDCUNQYLZHO-QGZVFWFLSA-N 423.535 1.775 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)C1 1325229268 WSMRVEUTAKUFPK-UTKZUKDTSA-N 400.479 1.238 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@]1(C#N)CCCOC1 1350710342 DJHWNFPYMAAHGZ-NRFANRHFSA-N 400.479 1.631 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c1OC 1355692789 VAVPWSXGNHRIGR-UHFFFAOYSA-N 411.462 1.721 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1cc(F)c(Cl)cc1[N+](=O)[O-] 1357282274 FXKDXFNZSQYGQP-UHFFFAOYSA-N 408.777 2.000 30 10 HDEE C#CCCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1358917786 AYDFGJCZBFRCSZ-FGSXEWAUSA-N 415.538 1.696 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358949230 WKRCTXJITBUVSD-OALUTQOASA-N 415.563 1.861 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358956090 AEYVHWHSKVGTTE-SJLPKXTDSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358963973 QQGAFUFBRSENDJ-SFHVURJKSA-N 405.568 1.365 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1359009724 WVKRUYDBJLOWQP-SFHVURJKSA-N 413.526 1.573 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C(=O)NCCC)c2)CC1 1359041204 PSTYRIGCZWAQED-UHFFFAOYSA-N 422.533 1.740 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359096431 BMADQCUUOWCAFO-NXHRZFHOSA-N 423.583 1.902 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1359327630 GXFRQZBZFRTNMX-GOSISDBHSA-N 401.492 1.637 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1359331125 OEIIXIWFDCDABJ-DLBZAZTESA-N 420.539 1.427 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc(C)nc2ncnn12 1445087688 GJJXVJSQVGYZHA-ZDUSSCGKSA-N 423.905 1.997 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1447690227 ZQBZJNLYSKYDDA-KRWDZBQOSA-N 403.435 1.210 30 10 HDEE N#C[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1449523875 MDSHRMMZTZLWGD-LBPRGKRZSA-N 424.276 1.864 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C(=O)OCC)no2)s1 1454922476 CHOAOZNDJVIUHI-UHFFFAOYSA-N 413.477 1.236 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2C2(O)CC2)CC1 1460211470 NRTWWVSHGIDORC-VQTJNVASSA-N 400.498 1.914 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(c3ccccc3)CC2)CC1 1467596722 YSNDRRPZBZGGLV-UHFFFAOYSA-N 404.536 1.508 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1468546824 YTQKNOILSMUUCL-LUKYLMHMSA-N 407.511 1.245 30 10 HDEE C#CC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)OC 1468875764 PHMITXMLQLGYRQ-NSHDSACASA-N 402.144 1.494 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 1469728097 FRCQFUGWXXUILH-HRCADAONSA-N 401.467 1.661 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 1475668051 ZSMBQDYRFLDWRA-CQSZACIVSA-N 403.426 1.355 30 10 HDEE C=CCOc1ccc(CNC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1 1478614707 BPZLMEWHDXQEBT-NRFANRHFSA-N 403.479 1.411 30 10 HDEE N#Cc1cccc(C2(NC(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)c1 1479366337 VMGVTYZEVRMZAE-UHFFFAOYSA-N 407.352 1.871 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1503708637 MRICJVONGSDHJM-QAPCUYQASA-N 412.494 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC(C)(C)C1 1507511588 BWMOWDYNVQRYPQ-INIZCTEOSA-N 404.559 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](COC)OC 1507521102 KKXFMLBWZYJWSV-GDBMZVCRSA-N 406.508 1.468 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCC2)c1 1507550931 SFSLLDHHEIMCQZ-KRWDZBQOSA-N 422.489 1.200 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1507589016 TZZMUPCPGMGYER-INIZCTEOSA-N 411.528 1.335 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1507591225 LOZXSMUJFJPCQQ-OALUTQOASA-N 400.571 1.880 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1507628483 HTNBBWNQOTXPPH-IBGZPJMESA-N 424.530 1.777 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1507635808 VSLHYZDPGXFRIE-CWRNSKLLSA-N 423.539 1.791 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)N(C)C)CC1 1507718575 QPEUSMYSVVPCIM-AWEZNQCLSA-N 420.359 1.741 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507731794 PGMQYCBBHYUDGN-SJORKVTESA-N 418.542 1.450 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507951043 LUVPNNKSSLNQMY-UHFFFAOYSA-N 409.538 1.631 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1507957513 PHTMBWYRNYYARV-UHFFFAOYSA-N 404.515 1.069 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1508080872 FDFBDZJOSBUBJL-QGZVFWFLSA-N 421.509 1.692 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508129809 FJBMCGAVZSGRCA-SJORKVTESA-N 409.556 1.436 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCOC2(CCOCC2)C1 1508136856 IFVFLDOQIOEUSN-UHFFFAOYSA-N 421.523 1.260 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1508211567 CLOBYNAQHMWACW-XIRDDKMYSA-N 422.555 1.035 30 10 HDEE CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1515116942 MIVLANDEGNISFH-KRWDZBQOSA-N 413.551 1.633 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C1 1517505539 FUIMPZKJAGDKBQ-YBOAYWMSSA-N 424.505 1.319 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)cn1 1519184052 UMANMIYGVKHSDX-IBGZPJMESA-N 407.478 1.933 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[C@H]2CCCCO2)CCO1 1521120923 CKOPJYFTYGMCDG-IAGOWNOFSA-N 402.499 1.592 30 10 HDEE CC(C)(C)n1nnc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1526906542 CLBLHBZZEWKPKB-GFCCVEGCSA-N 401.858 1.622 30 10 HDEE COC(=O)CN(C(=O)COc1cccc(Br)c1C#N)C1CCOCC1 1532997970 DQGDDHNZNAFAIK-UHFFFAOYSA-N 411.252 1.880 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1538973734 PSXWDEHLPJOPLO-LSDHHAIUSA-N 404.540 1.719 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1539176213 KQPZIAQHQJCALS-MRXNPFEDSA-N 418.542 1.988 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C)C1 1539499412 KECICIJMNRHMII-OAHLLOKOSA-N 420.560 1.940 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1539613788 IGXVUWLHTLBDGG-UHFFFAOYSA-N 405.476 1.456 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)CCOC1 1541725673 MOWSYCKIAYANCP-ZWKOTPCHSA-N 404.450 1.052 30 10 HDEE Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)c(=O)n1C 1542376908 CZGTVODDUJZRMY-AWEZNQCLSA-N 420.477 1.577 30 10 HDEE CN(C)CCn1nccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1543097224 UQXPHAHOLNLROM-RELWKKBWSA-N 418.523 1.510 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)s1 1543103181 OXQDSBFFUIBSSJ-SJKOYZFVSA-N 404.475 1.464 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1544116209 IBKUHQPTIYZJKJ-MEUCICPISA-N 422.493 1.888 30 10 HDEE COc1ccc(Br)c(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1544580026 CDJPOOACUXYKKL-UHFFFAOYSA-N 407.224 1.298 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OC)C1 1548315950 FIRBMOMFLXMQAU-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE Cn1nncc1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1554368255 NSXPGSIPIZKVND-SFHVURJKSA-N 402.384 1.766 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1555563628 KDSLYJFPXLPKCS-LJQANCHMSA-N 401.492 1.478 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCSCCCO)c1 1555986656 PRGFUUFCLSWVMP-INIZCTEOSA-N 400.508 1.244 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C(=O)OCc2ccccc2)c1 1556070299 SVULICTYYVRIPQ-IBGZPJMESA-N 415.467 1.318 30 10 HDEE C=CCOC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC 1556375130 ANGJXGBTQLEKJE-CABCVRRESA-N 423.853 1.405 30 10 HDEE COc1cccc([S@@](=O)CC(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 1556842251 CSSSNOJRBGGTBW-MHZLTWQESA-N 404.517 1.788 30 10 HDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1557251475 FKVZLYMLWSAPEX-BJJXKVORSA-N 422.407 1.969 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC(=O)N2CCN(C)CC2)s1 1558847269 CPIYJMQEBJVUAX-UHFFFAOYSA-N 402.973 1.729 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1OCCc2sccc21 1558992712 HPVYGTRWKMOVGW-KZULUSFZSA-N 405.501 1.717 30 10 HDEE C#CCN(C(=O)N=c1nn[nH]n1CC)[C@H]1CCOc2ccc(Br)cc21 1562801545 WXFORERAJOJENJ-ZDUSSCGKSA-N 405.256 1.868 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1563967957 WORXJKPTPOYNPS-FHWLQOOXSA-N 412.538 1.773 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 1568955756 CIAUASPAYUPBBO-GCJKJVERSA-N 412.490 1.999 30 10 HDEE C#CCN1CCC(C(=O)NCCCC[C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1572742922 PCFBYQOLQKCQDP-MLYQTUFZSA-N 401.551 1.546 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)C)cc1 1585660142 FWQLHEKFQNWVFZ-SQGPQFPESA-N 403.504 1.146 30 10 HDEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)CC2(C#N)CCOCC2)cc1 1586714578 DUMMHCPBYGDGCT-UHFFFAOYSA-N 409.508 1.627 30 10 HDEE C#CCN(c1nnc(CC)n1CCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588058886 DZLYCWPEYNTLIF-GOSISDBHSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N1CCN(CC)CC1 1588228619 HUERMHMASFPICH-SFTDATJTSA-N 412.582 1.661 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1588292953 HYCNIKZWAZYFCW-KRWDZBQOSA-N 411.506 1.908 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1c(C)noc1C 1588629084 XBFVYOYTPOYZKZ-UHFFFAOYSA-N 412.450 1.745 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1594784404 YUCZYUZNLOKWJA-HNNXBMFYSA-N 410.544 1.611 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1595593545 FYEHIHQRBWMJKC-NRFANRHFSA-N 421.542 1.626 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cnn(CC2CCC2)c1)c1cc[nH]n1 1606671315 CUIRBJJADZYGBQ-ZDUSSCGKSA-N 402.455 1.568 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1611778038 AWMYMEZPGXKRRH-VGSWGCGISA-N 424.505 1.857 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1616142082 JXGJMPXZWIXGST-JLTOFOAXSA-N 416.482 1.261 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1618180307 GRFSCGUKGSLVDE-UXPWSPDFSA-N 408.502 1.766 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1620110846 CPVYNYGVALKDTA-JZXOWHBKSA-N 415.498 1.130 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cc1 1620484301 SJTVWGFIANCZPF-UHFFFAOYSA-N 411.524 1.805 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1622710189 UBXDDMGYQGABLT-AWEZNQCLSA-N 417.915 1.810 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCC#CCO)c2)cc1 1626174143 LTVIZNYKQIKEKZ-UHFFFAOYSA-N 402.472 1.920 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(N)=O)C1CCOCC1 1629316596 BFQPQUBLAUWNSU-ZIAGYGMSSA-N 403.907 1.809 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1629478753 QKMZGTAMCFXRLF-WUKNDPDISA-N 422.482 1.093 30 10 HDEE C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)OC 1629612631 LKKPIFMFWFXZSP-QGZVFWFLSA-N 408.520 1.578 30 10 HDEE N#Cc1cn(CCC(=O)NCc2ccc(Br)cc2Cl)c(=O)nc1O 1631479410 GAKALWKLYHRXBR-UHFFFAOYSA-N 411.643 1.943 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCC1(O)CCN(Cc2ccccc2)CC1 1633522868 RYYCMRSRNVWJNL-UHFFFAOYSA-N 409.552 1.304 30 10 HDEE C[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)NCCF 1633922377 FANHWEAQWXLXIJ-DYVFJYSZSA-N 418.469 1.983 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nnc(C)s3)CC2)c1 1635307826 NCKAZCWKXLMDEY-UHFFFAOYSA-N 404.517 1.606 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(C)C)[C@@H](O)c1ccccc1)c1cc[nH]n1 1635463848 GGZZRGXNSIHJLH-MJGOQNOKSA-N 402.451 1.568 30 10 HDEE COC(=O)[C@H](Cn1cncn1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1636127008 CKADLDFVPLNJQX-IBGZPJMESA-N 405.414 1.700 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1637759029 YJPRJAAZXYQKDR-CVEARBPZSA-N 414.911 1.506 30 10 HDEE C#Cc1cncc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)c1 1638308934 KSENFPWGZGCWKY-UHFFFAOYSA-N 417.512 1.684 30 10 HDEE C#CC[C@@]1(C(=O)N2CC(N3CCN(CC)CC3)C2)CCCN1C(=O)OC(C)(C)C 1639295638 AWCOFDSVPVXTRA-QFIPXVFZSA-N 404.555 1.628 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)s1 1640262684 BGXBFUFEZSMXRD-KFWWJZLASA-N 415.581 1.369 30 10 HDEE C=C(C)CONC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1644315744 PDDWDTRVJOHKEI-OAHLLOKOSA-N 409.508 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645267959 UYCOLUIIQFGXQJ-AVYPCKFXSA-N 423.535 1.420 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc1 1647945914 DAXHRLMJKSFBRS-KRWDZBQOSA-N 403.508 1.827 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 1648283197 RWCALCZKAGQWCS-DEOSSOPVSA-N 420.513 1.933 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 1649123928 ZWCNPGDNQKJSGK-NRFANRHFSA-N 408.495 1.818 30 10 HDEE Cc1cc(C)cc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1652997602 FFTXFIKMWCDGIW-UHFFFAOYSA-N 412.446 1.479 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@H]2C)n(Cc2ccco2)c1C 1654775875 YOUNVBNOIGXKKV-HZPDHXFCSA-N 413.522 1.943 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](O)CC23CCC3)CC1 1654785960 RIAQPQNVFPHRIS-VQTJNVASSA-N 400.498 1.914 30 10 HDEE CN1C[C@]2(C)CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@@]2(C)C1 1655234859 VFXVCESUAYKQEH-MDNUFGMLSA-N 413.541 1.808 30 10 HDEE Cn1c(=O)[nH]c(Oc2cc([N+](=O)[O-])ccc2I)c(C#N)c1=O 1655382352 ACXJSXDYECLOQX-UHFFFAOYSA-N 414.115 1.250 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1)C(C)C 1655667538 QMJZMPZWJSHZAI-UHFFFAOYSA-N 415.918 1.656 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1656410794 ICTDOCHGHJTSTI-CQSZACIVSA-N 413.927 1.950 30 10 HDEE N#Cc1c(N)sc2c1CCN(CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 1660489549 MRWPAPNJPBDDJQ-UHFFFAOYSA-N 416.507 1.236 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 1679274921 XLKLUDGBQHJLFT-MRXNPFEDSA-N 422.532 1.582 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)Cc1cccc(C#N)c1 1684001985 DYDJCTYZCCVMDT-UHFFFAOYSA-N 407.474 1.474 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 1684365854 IIEJSPAZKVKSKQ-FQEVSTJZSA-N 418.519 1.126 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1684753572 RAOIRUYIYATQDP-KRWDZBQOSA-N 406.527 1.106 30 10 HDEE Cn1cc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(F)cc21 1686209123 CSQKJTUBHRKZMQ-IFXJQAMLSA-N 404.467 1.440 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CC[C@@](F)(C#N)C2)C1 1687572270 MNDBWKUVWLFGSU-SUMWQHHRSA-N 418.491 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1689835899 USDIBJTWKUDVMG-AWEZNQCLSA-N 405.524 1.424 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CC)CC1 1690139364 JVJXLOFBLMWUQD-HSZRJFAPSA-N 420.517 1.944 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690246498 VDFLNWWDEHKHHQ-OWSLCNJRSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690321822 MFHADMXLNMRCIF-ULQDDVLXSA-N 421.498 1.236 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1690597340 QVDDQVRGCWKKSW-KRWDZBQOSA-N 404.540 1.725 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1690676253 UQDXVBPOANAMSL-KRWDZBQOSA-N 410.478 1.505 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C 1690677187 QIMBYTNGJSUEMR-SJORKVTESA-N 404.559 1.425 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1692562480 AVFLSRGILQFUHH-UHFFFAOYSA-N 421.549 1.949 30 10 HDEE Cc1csc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1693329967 ARUFCGSHHMWHNG-LRDDRELGSA-N 410.500 1.435 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1696688736 ZJIFHFWXBYTPDS-QGZVFWFLSA-N 407.478 1.301 30 10 HDEE COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1697883747 SDNIXARVFRTXAB-CJNGLKHVSA-N 402.455 1.169 30 10 HDEE COCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CCC1 1697949969 YINFBMBIVOOGLW-KSZLIROESA-N 419.526 1.938 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1698284388 DJGNJOZBNHRSPV-SFNQZPIRSA-N 415.519 1.865 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2ncccc2c1 1705627764 OXGKLFXECUGGGO-LJQANCHMSA-N 404.474 1.912 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1705638961 CLJQSQMEENWKKV-VAMGGRTRSA-N 401.555 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCN(C3CC3)C2)CC1 1705649571 CBBUVDJNEXKBER-GOSISDBHSA-N 412.582 1.927 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705660512 XCQZZNDDNCZZMY-UHFFFAOYSA-N 404.584 1.559 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1705695210 WCKFKPWREJWDBS-IKGGRYGDSA-N 416.526 1.197 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705701450 GPKWIPHFASDIOG-NXHRZFHOSA-N 416.526 1.588 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705729071 KELVBJIQCWVJRK-INIZCTEOSA-N 420.514 1.430 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705884647 UXPYJQGVUPVTLT-KRWDZBQOSA-N 422.493 1.701 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CCN1CCOC(C)(C)C1 1705899999 MTXQYZDOVPEPOJ-UHFFFAOYSA-N 415.542 1.133 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NC(C)C)C1 1705926540 GHQNENVUNVRPPI-MRXNPFEDSA-N 404.540 1.940 30 10 HDEE CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1706961283 CSOMJPKDTUGOKJ-KDOFPFPSSA-N 411.503 1.439 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCSCC1 1707913429 BYAFBGOXLAEFNI-UHFFFAOYSA-N 411.579 1.829 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1711396387 KGRQCQGOADNJAG-INIZCTEOSA-N 424.278 1.624 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCc3nccn3C2)n1 1722429255 JGKJHCAVUUKNRZ-GOSISDBHSA-N 422.537 1.782 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2cccnc2)C(C)C)CC1 1722438054 YUNMZBCKXRFPRW-PMACEKPBSA-N 421.549 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCC[C@H]2C)CC1 1722446775 BFRHBYAOGOCBAI-VGOFRKELSA-N 401.555 1.994 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COC)C1 1722451238 HLISFKBEPWAKGX-CABCVRRESA-N 415.585 1.118 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OC)C1 1722454918 PLVKXUAYKGRHIP-QGZVFWFLSA-N 410.507 1.512 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1728186386 NCKLYTYGFVJBSC-IAGOWNOFSA-N 424.461 1.847 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1729678622 FNLUAGOVMLDRPB-KRWDZBQOSA-N 412.494 1.583 30 10 HDEE COc1ccc2c(c1)nc(Cn1c([C@H]3CCC(=O)N3)nnc1N(C)[C@H](C)CC#N)n2C 1730207543 AASOKNHXFSJWIW-UKRRQHHQSA-N 422.493 1.911 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC(F)F)CCO1 1731188781 IPNAQJDOHZQXLO-ZDUSSCGKSA-N 407.377 1.684 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COc1c(C)occc1=O 1740308403 IEZYMVNRGCCOQJ-LFRCEIEQSA-N 402.447 1.166 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1740557714 NDCBXRAFJLXZLO-GOSISDBHSA-N 411.506 1.791 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740579606 QVVVBBPPWSJMDI-UHFFFAOYSA-N 400.527 1.622 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1740615343 BKBGWXPRTWMSLE-KRWDZBQOSA-N 409.600 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1740655462 CFAOLWXCVQPUJY-GOSISDBHSA-N 418.563 1.728 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740771684 MBJBBODJOGZEPR-HNNXBMFYSA-N 407.544 1.363 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1740880949 RRPLABXMIRGHMC-FQEVSTJZSA-N 405.499 1.103 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@H]2C1 1740881032 UWYRYLVUCZUQAK-SFHVURJKSA-N 402.543 1.781 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(CCS(C)(=O)=O)C1CC1 1740954696 FAZOGKBSXRTFOL-UHFFFAOYSA-N 403.508 1.261 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(Cl)n1C 1740957158 CSMNKZDQDVFJHR-UHFFFAOYSA-N 403.878 1.004 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1741113264 IOSGINKMTVVTQB-LJQANCHMSA-N 423.521 1.648 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741306783 VLPSQZRHMCSRFY-NRFANRHFSA-N 420.477 1.677 30 10 HDEE CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1746405374 HYRHORROVBORDS-YWZLYKJASA-N 412.473 1.852 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1=CCCOC1 1747193601 CXRMEQIQTWERCX-UHFFFAOYSA-N 409.494 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)COCCO1 1748888912 AOASRLPUTIXYAR-HSZRJFAPSA-N 422.485 1.985 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NC2CCCCC2)CC1 1748993426 XCPKQLLTQFOAFJ-UHFFFAOYSA-N 421.549 1.468 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(C)noc2C)CC1 1749008569 CZCGGGYCUHLRPE-UHFFFAOYSA-N 407.478 1.892 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1749131027 PNUNFIFJMXBCGL-HZMVEIRTSA-N 407.540 1.757 30 10 HDEE C=C(C)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1749207364 JJJOVRNZDYCCJA-SFHVURJKSA-N 400.545 1.766 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749226367 OYUWKJVOAVRMDS-KRWDZBQOSA-N 416.570 1.927 30 10 HDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1749242736 REGLZZAYYJGJFQ-DOTOQJQBSA-N 405.524 1.827 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749454156 CRPMPQCUSBSJHP-KRWDZBQOSA-N 411.510 1.797 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749626044 KDBREIYDJBUIDV-HOTGVXAUSA-N 422.555 1.246 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC=C(Br)C1 1749663466 GFDSXSQBMCTKFB-UHFFFAOYSA-N 404.272 1.526 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749664395 MLNJQEVFVXIMII-AWEZNQCLSA-N 421.498 1.400 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749709829 SJLMWFPOXAHHDJ-HRCADAONSA-N 418.498 1.289 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCN(C(C)=O)CC1 1749921229 RHDRCUNQMLUMFO-HZPDHXFCSA-N 406.531 1.999 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1751278486 VSIJPUIUIKLGNO-MGPUTAFESA-N 412.498 1.455 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760186550 DHHNCYGSWZDQJI-ZACQAIPSSA-N 417.535 1.212 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760190952 XMOUYXAQEQPNMH-KRWDZBQOSA-N 417.535 1.982 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc3c(c2)OCCO3)n1 1760251987 IWLYUAUQJVQACQ-UHFFFAOYSA-N 422.489 1.889 30 10 HDEE C=CCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760513459 YAZDWNSDVXOJOP-UGKGYDQZSA-N 418.586 1.721 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cs1 1762297633 WUCBRAYEKTTYPU-OAHLLOKOSA-N 417.539 1.667 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCCn1cnnn1 1762609320 ODVNRQXAEYTVQI-UHFFFAOYSA-N 412.889 1.515 30 10 HDEE CCCN1CCC(N(C)c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1766107345 SJCZRSIZQJLENW-VXPUYCOJSA-N 415.542 1.678 30 10 HDEE Cn1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@](F)(C#N)C2)n1 1769083763 GCAKLIXNLOJDMD-KRWDZBQOSA-N 419.371 1.560 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)OC 1769237253 FUEQHXKNTZZAJS-QZTJIDSGSA-N 410.478 1.289 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C1 1770317392 NCASFWMPUWCWQT-QZTJIDSGSA-N 413.503 1.785 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1770746568 BSGDAUCUODPQKG-RBSFLKMASA-N 414.432 1.395 30 10 HDEE COC[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)CCO1 1772793969 WBMQPKKGLHVVBE-FQEVSTJZSA-N 420.418 1.393 30 10 HDEE N#Cc1c(NC(=O)CN2CC[C@H](N3CCNC(=O)C3)C2)sc2c1CCCCC2 1849864152 JVGBWSWSLOXHAG-AWEZNQCLSA-N 401.536 1.333 30 10 HDEE Cc1ccc2c(c1)C(C)(C)C(=O)N2CC(=O)N1CCN(c2nccc(C#N)n2)CC1 1851125138 BLPVMSIUCFKZDT-UHFFFAOYSA-N 404.474 1.630 30 10 HDEE C#CC[C@@H](C)C(=O)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1851874596 SCLGEGUHSPMMPZ-OAHLLOKOSA-N 413.499 1.239 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)C(=O)C2)C1 1853741194 KESVRELKRCCLPO-AZUAARDMSA-N 410.518 1.279 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3c(C)noc3C)C3(CCCC3)C2=O)CC1=O 1854103638 OTROAXFFTPGOOC-QGZVFWFLSA-N 414.506 1.810 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CC(c4nc(C5CC5)no4)C3)C2=O)ccn1 1854108268 FQTVSMONUVEGCL-QGZVFWFLSA-N 406.446 1.834 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1854157779 IWTGYGHGCXTAPL-ROUUACIJSA-N 414.893 1.866 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1=O 1854216211 QSPKMOWGFIDHIA-HOCLYGCPSA-N 406.870 1.879 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn3ccccc23)C1=O 1854262963 PBRCRYFVQLHZFK-MOPGFXCFSA-N 409.490 1.574 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@H]3CCC(F)(F)C3)C2=O)C1 1854336173 MFEQYMOMBKXUTO-BBRMVZONSA-N 404.417 1.969 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(F)cc2Cl)CCN1S(=O)(=O)CC#N 1854641378 DDUIJEYFALWBMQ-NSHDSACASA-N 401.847 1.324 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1854642528 RHUBZZCLEAVDJO-DLBZAZTESA-N 409.527 1.895 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855007429 PUNMJSPQYKLFHB-DLBZAZTESA-N 419.526 1.045 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1855079873 BAKVIGPIGXGBMU-GOEBONIOSA-N 402.520 1.362 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCCCO2)CC1 1855839490 IFOUYWFMROCWIY-GOSISDBHSA-N 417.487 1.596 30 10 HDEE C[C@H](C(=O)N1CCN(CCC#N)C(C)(C)C1=O)n1nc(-c2ccccc2)ccc1=O 1855872163 BDJWILPKXKDKEI-MRXNPFEDSA-N 407.474 1.834 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CCN(C)CC1 1856100246 MZXWVFFRZQATBI-UHFFFAOYSA-N 405.520 1.641 30 10 HDEE C[C@@H](C(=O)N1CCN(CCC#N)[C@H](C)C1=O)n1nc(-c2ccc(F)cc2)ccc1=O 1856189619 RNORMYXLDXQDDY-CABCVRRESA-N 411.437 1.583 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC(COc4ccccn4)CC3)C2=O)ccn1 1856498482 BSIGFPSKPRAYJP-IBGZPJMESA-N 405.458 1.880 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856671871 MGRJURHEUCDFSE-CABCVRRESA-N 403.476 1.673 30 10 HDEE COc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857018678 KISIBOOBPNQDFK-INIZCTEOSA-N 405.476 1.249 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cn(CC)nc2C)C1)[C@H]1CCN(C)C1=O 1857052970 FIBHAYIEGYPGAM-WMZOPIPTSA-N 401.511 1.309 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3nccnc3N3CCOCC3)C2)CC1 1857242371 FJUQVCSUQIVWPR-GOSISDBHSA-N 413.522 1.590 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@H](CN2CCC3(CC2)C[C@H]3C#N)CCC1=O 1857286319 JKPQFUJMRNLQQQ-HOTGVXAUSA-N 412.490 1.398 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2=O)c1 1857500857 ULKWWWPIDZEFRN-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE CN1CCN(C(=O)COc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2)CC1 1858037662 LMVBLYWAGJGNIE-UHFFFAOYSA-N 414.487 1.512 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1 1858298135 GKSRIXJUSMJFRL-SFHVURJKSA-N 412.471 1.710 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 1860994001 FOHVSKWYEOVEKD-IBGZPJMESA-N 424.501 1.180 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)cc1O 1864049462 KIZVOHMCGQWGDS-GOSISDBHSA-N 419.441 1.984 30 10 HDEE CCCN1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783949 USAPYVZREOYTOA-SFHVURJKSA-N 417.579 1.695 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1870097935 FESOJCMIPGHQTN-UHFFFAOYSA-N 400.376 1.857 30 10 HDEE C=CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN(C)CCO)cc1=O 1870387486 GKDTUABEUHWXBS-FQEVSTJZSA-N 401.507 1.846 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 1890522498 IMGLRAYPFBHHKW-UHFFFAOYSA-N 406.490 1.986 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2CN(c3nccnc3C#N)C2)ccc1Br 1890823386 ALHPTLWWTRBNHF-UHFFFAOYSA-N 422.308 1.929 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cn(C3CCSCC3)nn2)CC1 1891284482 AWKQYUYBVQFXQL-UHFFFAOYSA-N 413.507 1.939 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985096090 NAOTVJBQJUCHLE-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2CCC#CBr 2018432311 HDIDALMDLYHFCO-QGZVFWFLSA-N 400.317 1.934 30 10 HDEE C=C(CNS(=O)(=O)c1c(Br)cnn1C)B1OC(C)(C)C(C)(C)O1 2020861401 AFPDUVZLCSVKAJ-UHFFFAOYSA-N 406.111 1.649 30 10 HDEE C=CCN1C(=O)C(=Cc2c(N3CCOCC3)nc3ccccn3c2=O)SC1=S 2053496645 FKRGPBXSPACHGO-UHFFFAOYSA-N 414.512 1.918 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(C#N)CC2)CCO1 2174781321 DZFHANSPZNQXNB-GJZGRUSLSA-N 402.517 1.129 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C 2174785726 BXDPMEKFVIWVBK-NRRJATNASA-N 423.557 1.648 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC2(C#N)CCN(C)CC2)C1 2181146693 HIFWAYXXHDVXCF-WIYYLYMNSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2184353891 QGHGMIYIZTUCLX-GJZGRUSLSA-N 400.545 1.996 30 10 HDEE Cn1ncc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2247778570 DQYPTNSVEZAGCR-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)nn1 2248411935 DLIFUEBJZFKBQS-UHFFFAOYSA-N 419.291 1.167 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@@H]4C3=O)cc2Cl)OC1(C)C 2267353490 DRJBSCPAMKBOGG-BDAKNGLRSA-N 403.718 1.868 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(C3)OCCO4)c(F)c2)OC1(C)C 2267363791 OEUZTHVWQMJSDR-UHFFFAOYSA-N 413.276 1.262 30 10 HDEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282011985 PLOLQLMCZYJMEK-LLVKDONJSA-N 400.331 1.092 30 10 HDEE Cc1csc(C(=O)N2CCS(=O)(=O)CCO2)c1B1OC(C)(C)C(C)(C)O1 2282016533 YZSUGMLDVSXMPO-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCC(S(C)(=O)=O)CC2)OC1(C)C 2282018856 CXHJGCJFDSDEDX-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE COC(=O)C(C)(C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282310065 OSIPLNSYZNXHKR-UHFFFAOYSA-N 423.749 1.931 30 10 HDEE CON([C@@H]1CCNC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282320698 MDSCCGKHJFNPKU-GFCCVEGCSA-N 402.347 1.270 30 10 HDEE CC1(C)CC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N1 2282338091 LKUUNFIOTYMRQX-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE COC[C@H](CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2282836821 POXKOLRUIXSHHP-LBPRGKRZSA-N 405.347 1.295 30 10 HDEE Cc1cc(S(=O)(=O)NCCC(F)(F)CO)sc1B1OC(C)(C)C(C)(C)O1 2282838784 URVDCEAKSMXUDS-UHFFFAOYSA-N 411.301 1.652 30 10 HDEE C[C@@H](CC1CNC1)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845306 QBUUFJWGCIJJFG-LBPRGKRZSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(F)(F)C[C@H]3CO)c2)OC1(C)C 2282851670 FLIVNVYFDZUESA-NSHDSACASA-N 409.285 1.438 30 10 HDEE C[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282854646 UPMUNEXXNWATRV-STQMWFEESA-N 400.375 1.808 30 10 HDEE CCN(C(C)(C)C(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284395091 HNHWDBMILZTGPJ-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)CC(=O)O 2284418554 ZVUOKHGSTYKJFR-SNVBAGLBSA-N 403.331 1.839 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)C[C@H]1C[C@H](S(C)(=O)=O)C1 2285277712 ZFCJSXLHSGGFCR-JOCQHMNTSA-N 400.375 1.697 30 10 HDEE C=CCC(CC=C)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2313544651 KYRWEIQXAJVSLB-QGZVFWFLSA-N 410.492 1.895 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CSCCN1C(=O)OC(C)(C)C 2342051052 JNULBSSCNZXXAB-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)O[C@@H]2C1 2365175588 IPXCKNSUSUOEMV-CAOSSQGBSA-N 401.525 1.588 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2([C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365195898 GRNZFLQVIOMGRF-VCBZYWHSSA-N 401.525 1.590 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2365199368 NLFXYNBHTCKNJN-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)OC(C)(C)C1 2365200024 UWQKDRZZBWWWIW-ILXRZTDVSA-N 402.557 1.991 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCC12CC2 2365204733 OTORPXOZBMWREZ-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367803859 NVVVVDIQPOFYTK-OWCLPIDISA-N 400.541 1.556 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367807272 RRTRQCQHFUJKOW-SPYBWZPUSA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367812241 QWPYIZXHCJTOLB-HRCADAONSA-N 400.541 1.163 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](C)(C[C@H]1CCCS1(=O)=O)C(=O)O 2377814707 HIJFXLWPHUDDGE-KDOFPFPSSA-N 404.529 1.858 30 10 HDEE C=CCn1c(=O)c(N2CCC(NC(=O)NC[C@@H]3CCCO3)CC2)nc2cccnc21 35527766 XSOTYTHFBGAEEQ-INIZCTEOSA-N 412.494 1.425 30 10 HDEE Cn1cc(CCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2cccnc21 65164791 GRLPCCLLTUASMJ-UHFFFAOYSA-N 409.515 1.994 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 70896863 XIWAUNRWFZEVIL-UHFFFAOYSA-N 408.418 1.833 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472338 ODBCILWXUYMBPO-CZUORRHYSA-N 407.430 1.755 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 161259272 UHANWDKFHYCSJD-SECBINFHSA-N 411.071 1.966 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409632530 RQFQFWMWLVFHNY-GFCCVEGCSA-N 417.267 1.458 30 10 HDEE C[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)n1cnc(C#N)n1 409721077 PMWJAHWOXALMMF-APWZRJJASA-N 402.458 1.755 30 10 HDEE COc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1[C@]1(C)NC(=O)NC1=O 443223915 HBILWVJTTQAPQH-RMTLACHYSA-N 420.491 1.358 30 10 HDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 462091376 ZBFOMWIURAYKIG-GDBMZVCRSA-N 411.466 1.534 30 10 HDEE C=CC[C@H](CC)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 466379601 ZWQIKQUOMCJYQX-ROUUACIJSA-N 402.543 1.906 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@]3(CO)C[C@H](C)CC(C)(C)C3)CC2)o1 471146533 BUWQLNKAAGZJCP-QVKFZJNVSA-N 403.527 1.670 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)c1C#N 471694483 UYYWQIGETGYIEB-UHFFFAOYSA-N 421.910 1.376 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 473555216 UJIVMBCOVLBPLV-MRXNPFEDSA-N 409.508 1.225 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 474590812 AKHXVHBWTMYTFV-UKRRQHHQSA-N 401.444 1.181 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 482312727 HQHMCEPPYNENFX-GUYCJALGSA-N 403.508 1.862 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N(CCN(C)C)Cc3ccc(C#N)cc3)[nH]c2c1 483969064 DMKCWBZWWZZKAX-UHFFFAOYSA-N 418.501 1.950 30 10 HDEE COCCN(Cc1scnc1C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 488835049 HZUCZCOTDUYMAV-UHFFFAOYSA-N 407.517 1.913 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489108990 HKMGKKQOBFIBCP-UHFFFAOYSA-N 414.487 1.807 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 502102172 YPYRKCNDQCDXPW-QAPCUYQASA-N 422.528 1.974 30 10 HDEE CC(C)N(Cc1cnc2ccc(C#N)cn12)C[C@@H](O)COc1ccc(CC(N)=O)cc1 506421356 JPKDFXVFWBJZMS-HXUWFJFHSA-N 421.501 1.884 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCC2CCS(=O)(=O)CC2)c1 508309851 NSYMNEZKOSSGTH-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508464447 MIKXOBSBJVXGHE-UHFFFAOYSA-N 414.897 1.712 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 511703805 QLQYPDGHXWJSFC-UHFFFAOYSA-N 414.487 1.522 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 535137517 OBZQFKBJWMZLIP-GFCCVEGCSA-N 421.881 1.130 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c1 544748183 DXAYLLPZPXCDQU-UHFFFAOYSA-N 421.519 1.875 30 10 HDEE CCc1ccccc1N=c1nc(N)nc(CN2CCN(c3cccc(C#N)n3)CC2)[nH]1 546917741 DOQFDDVFBIIPKP-UHFFFAOYSA-N 415.505 1.771 30 10 HDEE Cc1c(C#N)cccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 559036817 BRTSSKJXAXNBSO-QGZVFWFLSA-N 406.442 1.601 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)cc1[N+](=O)[O-] 574090265 PSUWQPGETGVKNZ-UHFFFAOYSA-N 423.476 1.438 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3cnn(CCOC)c3c2)CC1 608295027 ITHWLNORWHWRSZ-UHFFFAOYSA-N 400.483 1.134 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608982093 ZOYQWJXJBJPBNU-UHFFFAOYSA-N 417.447 1.817 30 10 HDEE Cc1cn2c(n1)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 611894906 WENNAYFRKANDTB-UHFFFAOYSA-N 413.503 1.506 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C)c1C 727415125 JMTFFZZWCNJTNS-UHFFFAOYSA-N 405.479 1.914 30 10 HDEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc(OCC#N)cc2)C1=O 731158197 WKCHZDNMZVBLIY-FQEVSTJZSA-N 413.455 1.960 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(O)C2 735831905 QEVRDEQCHUWKEQ-GRDNDAEWSA-N 405.520 1.798 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)o2)CC1 742499981 BBCBGCLOOPDLII-UHFFFAOYSA-N 406.483 1.364 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 746195927 GAOOIWPMEJYTJO-QZQOTICOSA-N 402.495 1.544 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCN1C1CC1 746796315 KNSKCJUKOPRTGZ-GOSISDBHSA-N 423.448 1.937 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H](c2ccccc2F)N2CCOCC2)cc1 755583639 VJUZKGTWOCMZGD-IBGZPJMESA-N 417.462 1.717 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C1CC1 763042701 ABNBWNXHGXUVNW-HNNXBMFYSA-N 417.516 1.756 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 773830272 FMZPZUSYJOPJIA-CQSZACIVSA-N 400.382 1.365 30 10 HDEE C#CCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 774170959 JTPOSILUIPQRKW-UXHICEINSA-N 403.548 1.655 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)[C@H]1CCCO1 775330205 PTKKREGRSZEDKS-OKZBNKHCSA-N 422.503 1.013 30 10 HDEE N#CC1(c2ccc(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC1 777295833 UWIYKEFZTLQRJI-UHFFFAOYSA-N 423.450 1.598 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)c1 779855354 AQQHJMUTEVVXCW-QHCPKHFHSA-N 421.453 1.808 30 10 HDEE CC1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 780779156 PTIKOTZVUZQLGW-HNNXBMFYSA-N 417.487 1.776 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCN1CCc2c(Cl)cccc2C1 785873602 UGHOIIPGCOVXNB-HNENSFHCSA-N 417.897 1.524 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)n1 788637501 XTHKQSGYGGEGIK-UHFFFAOYSA-N 402.476 1.527 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 799082001 SNYFHYGEWOQEMA-OCCSQVGLSA-N 402.310 1.749 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53 800257327 CLWWOJMJRIJRMH-HZMVDONFSA-N 414.421 1.553 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 802512662 HKDQPDDLUGCABN-IBGZPJMESA-N 407.478 1.874 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 813729601 GYRVXVAVXGGUEN-OOYWPUHTSA-N 413.455 1.981 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)CC(C)(C)C#N 814670203 NUFZMDDAFIDSEX-NTEUORMPSA-N 404.536 1.613 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 915095706 RLXVMUIGWBKSNE-QGZVFWFLSA-N 403.460 1.351 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)cc1 916178570 BWODFPCQXOUTHM-UHFFFAOYSA-N 422.422 1.661 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 918480030 UIPGUTXKHDKXQT-MRXNPFEDSA-N 401.444 1.792 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cc3ccccc3nc2N2CCOCC2)CC1 920175262 AUWVJPJIBUEHHO-UHFFFAOYSA-N 409.534 1.491 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)C1 1116567103 JRZDTFRFHUHTMR-HNNXBMFYSA-N 400.522 1.250 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CC2)cc1 1125238824 LLEHVGRIUSAYKW-PGMHBOJBSA-N 417.495 1.394 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccnc(N4CCOCC4)n3)CC2)c1 1125703436 IKPRAKFHGMMFDC-UHFFFAOYSA-N 420.473 1.676 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCN3C3CCCC3)C2=O)cc1 1132134026 ZRNDOFKVDDTSLL-OALUTQOASA-N 409.490 1.896 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)SCC(=O)N2 1132558104 POFWVBXKFVAVGM-UHFFFAOYSA-N 402.457 1.408 30 10 HDEE Cc1ccn2cnc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 1136149738 WRPWBLJRYOKEBV-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCCOC1 1138143319 HVJDRDXNDGQIFT-LRDDRELGSA-N 412.439 1.211 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCCN(c4ccccc4C#N)CC3)CCC2=O)cn1 1143726943 IFRFEKUETQPKHT-GOSISDBHSA-N 406.490 1.774 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 1151589421 YYWUIMMZFGMUIL-LJQANCHMSA-N 419.459 1.697 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)cc1 1156263202 OGUTZJGVBALBLW-QGZVFWFLSA-N 408.520 1.545 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)cc1 1159324781 NGILMGGASUTHTH-QGZVFWFLSA-N 423.535 1.491 30 10 HDEE C=CCCC[C@H](C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 1160656332 IQDQGTAOZNBOGR-SLFFLAALSA-N 406.548 1.429 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)CC2)nc1 1160700395 NFMYISUXOFMLAF-MSOLQXFVSA-N 400.479 1.739 30 10 HDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1161035547 ACUDSEVXYFUKPX-KRWDZBQOSA-N 418.519 1.959 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)[C@](C)(O)c1ccccc1 1164485809 NAELLQCTURGUDW-AVYPCKFXSA-N 401.488 1.637 30 10 HDEE COC[C@@]1(C(=O)Nc2cnc(OC)c(C#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1177480973 ZOGBJXGTZFVFMO-LJQANCHMSA-N 406.439 1.553 30 10 HDEE CCCCn1c(=O)nc(O)c2c1nc(Cn1c(C(F)(F)F)ccc(C#N)c1=O)n2C 1189987097 FTYGWOIISBNCDL-UHFFFAOYSA-N 422.367 1.736 30 10 HDEE C=CCc1cc(CNC(=O)N2CCOC[C@H]2CNC(=O)NC)cc(OC)c1OC 1221553890 WAKMHYXKIOCKLL-MRXNPFEDSA-N 406.483 1.272 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1224991327 BCUNXXBWQYHFCR-YLJYHZDGSA-N 405.520 1.915 30 10 HDEE CC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(OC)c(OC)c1 1228082040 NWINERQLDSXIPF-KHYOSLBOSA-N 407.492 1.735 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCCS(=O)(=O)c1ccc(Cl)cc1 1230747094 TYSLHLXQRDPFSL-UHFFFAOYSA-N 408.929 1.404 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2ccccc2Br)nn1 1252077512 WWWTWEUWCPNIHU-CYBMUJFWSA-N 408.300 1.877 30 10 HDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1c1ccc(F)cc1 1261204888 IIXBHRPZTXOZRJ-UYAOXDASSA-N 416.478 1.537 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1264831973 QRKOPHPXZNOHNA-LEWJYISDSA-N 413.566 1.913 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2cc(C#N)ccc2F)ccc1OC 1271084189 ZEUCOTZWRSECOR-UHFFFAOYSA-N 407.423 1.883 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1286298674 NIHOIWWAUDYKJB-FORWCCJISA-N 406.552 1.843 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1286376498 LOMYJSXQJOKUEP-MRXNPFEDSA-N 419.526 1.915 30 10 HDEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286450039 LYQYFWWEVCAQIX-OAQYLSRUSA-N 416.547 1.463 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncc(CC)s2)CC1 1286485320 YPEMDFMJGQHSBY-UHFFFAOYSA-N 424.578 1.962 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC=CO2)CC1 1286646631 UBXGDCBFVXKMJO-IRXDYDNUSA-N 423.539 1.460 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286728175 ONLIBMAOMPKFFC-OAHLLOKOSA-N 404.540 1.751 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1286748709 ZEUNWXCZJRNKLN-NVXWUHKLSA-N 412.469 1.840 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1286778616 HYRGVTJVGOUILB-HKUYNNGSSA-N 409.494 1.781 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CC2)C1 1286798810 OSILDULHWFKOSB-KKSFZXQISA-N 412.494 1.868 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1286969051 DABUVZKVPCRUMC-KRWDZBQOSA-N 423.521 1.703 30 10 HDEE Cc1ccccc1OCCN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1290211455 OZJBGSCSRAYKHG-VXPUYCOJSA-N 410.478 1.937 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1cccs1 1290865082 KKYXAMGWHXJMBY-UHFFFAOYSA-N 422.518 1.671 30 10 HDEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1291154609 BYLUSFJAHALWFR-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE C=CCOC[C@@H](NC(=O)CSc1nncn1-c1ccc(C)c(C)c1)C(=O)OC 1297029289 FFIFYAPVCWPHKM-MRXNPFEDSA-N 404.492 1.837 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C4CCC4)CC3)C2=O)cc1 1297985188 NCBLKGSTJIFPFT-IBGZPJMESA-N 409.490 1.896 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc2c(N(C)C)nccc2c1)c1cc[nH]n1 1298099618 UJQSSMZRRURRSB-UHFFFAOYSA-N 410.434 1.946 30 10 HDEE CO[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299551665 BRDAOTMYENVHBE-OAHLLOKOSA-N 421.509 1.615 30 10 HDEE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)CCC2 1300529047 LWOUIYUUFQZTLZ-HNNXBMFYSA-N 410.430 1.234 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1300755401 RSBMMVFPSJQASL-UHFFFAOYSA-N 423.550 1.470 30 10 HDEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1301416822 JVDJKMGRELNYCP-MSUUIHNZSA-N 402.499 1.741 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1301567441 WQINDKPSBAURDS-IBGZPJMESA-N 420.477 1.687 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1301724029 AIVKZTGEAFTBFI-UHFFFAOYSA-N 419.493 1.247 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1301815273 PGRSFXZGMLVWDC-SECBINFHSA-N 423.716 1.908 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1301916309 IUTNWVWFKPNICZ-IBGZPJMESA-N 419.493 1.776 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1cncs1 1303582846 APNNLZIEJUFZBC-UONOGXRCSA-N 422.532 1.446 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)C1 1303932893 BHUAHANISZOCAL-IPELMVKDSA-N 407.540 1.879 30 10 HDEE CCCCn1c(N)c(N(CC)C(=O)CN2Cc3cccc(C#N)c3C2)c(O)nc1=O 1307894125 XVBGEVAMUBYXDL-UHFFFAOYSA-N 410.478 1.572 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccccc1C#N 1308146945 QXTASFZYBYCQFY-ROUUACIJSA-N 405.495 1.866 30 10 HDEE C=CCn1ncc2ccc(NC(=O)Nc3cnn(CC(=O)NCCN(C)C)c3)cc21 1311252623 RQWGSURNSCPSRG-UHFFFAOYSA-N 410.482 1.741 30 10 HDEE C#C[C@H]1CCCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1311445037 UZXMNIVZWHSBDI-KRWDZBQOSA-N 405.520 1.403 30 10 HDEE CO[C@H](c1ccccc1F)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1312365570 FUSSIXOCRZSAEF-ZBEGNZNMSA-N 401.398 1.302 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C(C)C 1316101540 MHFRDJCHDUNBJW-HXUWFJFHSA-N 418.498 1.779 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)C1 1316526886 DHALYTKJDGNAMU-HXUWFJFHSA-N 417.441 1.557 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1349918915 DRQRYMYCMOIVTQ-CQSZACIVSA-N 414.531 1.958 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC2(C1)OCCO2 1358968328 HOBCFEBOABSBNA-QGZVFWFLSA-N 413.522 1.813 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)CC 1359063350 PJRMXXYVUBGEHI-LJQANCHMSA-N 409.556 1.623 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359302043 VOFLZUCNRBAWRE-UHFFFAOYSA-N 411.510 1.136 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1359455673 XYBCYTATCNVDCG-UHFFFAOYSA-N 423.521 1.790 30 10 HDEE CC(C)c1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359683648 HFKPAXXCLXWHEN-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE C=CCN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[C@@H]1CCS(=O)(=O)C1 1360053870 BZZURGKHWNDVFF-MRXNPFEDSA-N 404.448 1.655 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C1CCOCC1 1437875661 NRAGNWZWNQRLLQ-AQNXPRMDSA-N 400.475 1.957 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C/COC3CCOCC3)CC2)cc1 1441011916 PSSFDYKGNXEIOG-OWOJBTEDSA-N 419.503 1.143 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 1455947814 UEKMWKXUQXQURX-UHFFFAOYSA-N 402.454 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@@H]23)s1 1456554358 QLIIIEVQNVEDLX-OSRDXIQISA-N 412.533 1.459 30 10 HDEE COc1cc([C@H](C#N)NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)cc(OC)c1OC 1458618940 VUDSCBYIAAXZII-HNNXBMFYSA-N 402.451 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C1 1459087085 MAVXDKMDBRGMQW-SFHVURJKSA-N 418.494 1.188 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1463652279 AYFUFUKDTLRGCC-INIZCTEOSA-N 411.499 1.312 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCC[C@H]2C(=O)OCC)s1 1468019324 IFHNXPZAFKAVNG-CABCVRRESA-N 414.549 1.993 30 10 HDEE Cc1cc(CN(C(=O)CNc2ccc(C#N)cn2)C2CC2)cc(S(N)(=O)=O)c1C 1469786485 IFMIODRCHWBITD-UHFFFAOYSA-N 413.503 1.821 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1470008894 XRKITBCOTBSLFC-CRAIPNDOSA-N 410.540 1.393 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1470395437 NXTBTOBXBFBBGQ-HNNXBMFYSA-N 400.298 1.880 30 10 HDEE C[C@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCS1(=O)=O 1472045973 RLTGJIQALZLZIM-JQWIXIFHSA-N 401.282 1.781 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NC[C@@H]1CCCN(CC#N)C1)=NO2 1472518083 AAUUGZSQDYTMKW-INIZCTEOSA-N 419.526 1.884 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1475315739 BJKMATPMQQMZMH-PWSUYJOCSA-N 417.281 1.792 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCc3cccc(C(=O)N4CCOCC4)c3)CC2)C1 1478500894 YLZJXLURVJLJQU-UHFFFAOYSA-N 413.474 1.706 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCCO1 1494476398 DGGHQTARHVCBCK-QFBILLFUSA-N 413.478 1.759 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1501407428 XNOXRLKDZGNBNZ-LPHOPBHVSA-N 407.522 1.968 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1505048277 NKEJFIKMVZMMJJ-RBUKOAKNSA-N 424.505 1.537 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507616953 QACKTVPRNXEVGD-UONOGXRCSA-N 419.473 1.134 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1507631937 VKWMRVUPKOAFAG-OAHLLOKOSA-N 423.564 1.016 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507751785 QYZQHNMNQPBRJG-GJZGRUSLSA-N 404.496 1.418 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1508078994 MCBPFLYPJJFDAL-QUCCMNQESA-N 424.549 1.713 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCC[C@H](C)C1 1519162679 HEBOIXLZXFVAHQ-DLBZAZTESA-N 403.531 1.328 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ncc1C#N 1524917363 SBEOPUPBNJUTIL-UHFFFAOYSA-N 406.414 1.687 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1525109147 IJKBAVFKFTWJQD-GOSISDBHSA-N 416.524 1.969 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1539215417 BOMYIDMVQMFSJA-GJZGRUSLSA-N 412.606 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCNc1ccccn1 1539291161 NBZPLRGNCCWLAP-UHFFFAOYSA-N 405.506 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@](=O)CC 1539405509 BOWWVMXOXIFCFN-GDLZYMKVSA-N 418.519 1.571 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOC2CCOCC2)CC1 1539453865 SUBACNLXVGRLPQ-UHFFFAOYSA-N 424.549 1.605 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](CC)N2CCCC2)CC1 1539460120 WXXLQLOQPUOHCX-NRFANRHFSA-N 424.597 1.769 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1539498773 WPNRMYHDWZCHFH-OAHLLOKOSA-N 423.539 1.447 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1 1539580639 ZFQJUPJBCAYKBC-OLZOCXBDSA-N 416.320 1.578 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)CC1 1539827999 CSKBIYUTJSOGRX-CVEARBPZSA-N 419.555 1.504 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCNS(C)(=O)=O 1540146356 DPONVVCTAQWOAC-CQSZACIVSA-N 411.553 1.585 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540866889 DKSYVDPYCUQCQS-SFHVURJKSA-N 419.489 1.320 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1540898730 SJVPDAIYXCNBHE-MRXNPFEDSA-N 421.910 1.928 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncn(C)n1 1541801912 GXLFSYPFAFUVMM-LBPRGKRZSA-N 404.438 1.509 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1542211164 NIMPXVQOWMSMRI-CYBMUJFWSA-N 403.460 1.356 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C[C@H]1O 1554545780 MPAPTKNWWBRUOT-HZPDHXFCSA-N 424.486 1.682 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)C(=O)OC 1556375831 TYEPGWQZBOHQQX-UKRRQHHQSA-N 422.482 1.717 30 10 HDEE C#CCCN(CCOC)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 1557648817 WSKFHIYHTBEFRO-UHFFFAOYSA-N 407.536 1.917 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 1558324064 CPIPDTHHYMYUKI-UHFFFAOYSA-N 423.311 1.322 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1558383045 SJKARSNKVFAZFT-IIBYNOLFSA-N 417.462 1.476 30 10 HDEE COc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc(C)c1Br 1558511283 PVEFMYOILHOQJM-XPTSAGLGSA-N 419.322 1.838 30 10 HDEE C=CCC1(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCOCC1 1583952810 LDGKBBFBXQYHFN-AWEZNQCLSA-N 404.529 1.556 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 1584797362 GYMULYYXZHBDDE-UHFFFAOYSA-N 414.487 1.805 30 10 HDEE CCNC(=O)c1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)s1 1586239520 ANODAJWZNGQHQJ-LLVKDONJSA-N 420.516 1.983 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@@H]1CCC[C@@H]1C#N 1587115854 VVWPNAXFPWVEIT-NXEZZACHSA-N 406.327 1.940 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1587549824 CMJXTAJGVRLRCA-MRXNPFEDSA-N 404.478 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1587562700 SAQPLIZDMSAUEA-YFYRFGBOSA-N 413.547 1.932 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1587661901 ITVNDZGXBCZDDE-KRWDZBQOSA-N 402.543 1.094 30 10 HDEE C#CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893595 FZQUYWFEMPJOBM-YLJYHZDGSA-N 424.567 1.746 30 10 HDEE C#CCCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1587893734 HQIMPEYHDLZFKI-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccccc2Cl)CC1 1588194901 VWEOOFVDHYGJHC-UHFFFAOYSA-N 401.941 1.434 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1593741786 XJYFFGMPJTWFSK-NWZZKEMCSA-N 419.526 1.595 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595760388 MLJBLNUOPZIEFI-GDBMZVCRSA-N 424.571 1.433 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 1595790496 MYOVKCCUNLAETL-ZDUSSCGKSA-N 414.325 1.232 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)s1 1612518642 JGDUMAPNGXFMOY-GJZGRUSLSA-N 403.512 1.694 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C[C@@H](O)CC4(C#N)CCC4)CC3)C2=O)n(C)n1 1617139714 JNLXUZJCRVESEK-RBUKOAKNSA-N 414.554 1.286 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOC1 1619899589 CECALHWQIWXMKJ-OALUTQOASA-N 424.505 1.790 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCN2CCCCCC2)cc1 1620351788 GDVIMSMQYYTHQK-UHFFFAOYSA-N 423.521 1.541 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(=O)OC 1622226501 ULDVPTYZLMGAAE-SNVBAGLBSA-N 410.673 1.954 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)C1 1622647294 IKNKKFDCVBWFMS-UHFFFAOYSA-N 400.172 1.716 30 10 HDEE C#CCN(CC(=O)N[C@@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C(=O)OC(C)(C)C 1623335522 UZSXNAUEBPYKFV-ZDUSSCGKSA-N 417.470 1.928 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)CC1 1625580367 DJBGCFHBNNYEOP-JYSRZZCRSA-N 408.462 1.189 30 10 HDEE CC(=O)NCCN(Cc1ccsc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1625874036 DKMCFNKJBUVKCP-UHFFFAOYSA-N 423.491 1.963 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1627265120 LHSPDBRAHVSASV-QOCHGBHMSA-N 416.441 1.822 30 10 HDEE CC[C@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629001580 GWFIOKUFRRFORH-NHYWBVRUSA-N 413.496 1.553 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)CC1 1629698525 PIYHGDWZORUUAS-QGZVFWFLSA-N 410.515 1.708 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 1630716616 DVHKXBLRONCTDT-SJORKVTESA-N 416.478 1.763 30 10 HDEE C#C[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)[C@@H]1CCCO1 1633397474 LSNHWQBNBCEGTA-SQNIBIBYSA-N 402.447 1.532 30 10 HDEE COCC#CC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1633865546 LYCXYLBBQPZFBR-UHFFFAOYSA-N 403.483 1.385 30 10 HDEE C[C@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nnc2c(=O)[nH]ccn12 1634654354 YVOXEJKWEYBCLA-LBPRGKRZSA-N 404.386 1.952 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCO[C@H]2CCC[C@@H](C)C2)CC1 1636479445 BAZINYOEFWEYKQ-MOPGFXCFSA-N 413.584 1.754 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1C#N 1637579386 CSOHZOFJYUYKQP-UHFFFAOYSA-N 421.544 1.972 30 10 HDEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)c(C)c12 1638895201 CJYRYKJKPNZSJM-GOSISDBHSA-N 407.474 1.875 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1638910296 UKBVHFKCHLTKNC-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE Cc1c(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cnn1CCC#N 1639636729 LHVXAXCOWYSATA-UHFFFAOYSA-N 415.519 1.266 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCC(OC(F)F)CC1 1640860793 VGVKLFRQFWYAIO-UHFFFAOYSA-N 401.435 1.782 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 1643570713 KGCBTYTVHQSQRZ-QGZVFWFLSA-N 400.456 1.617 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H](N(C)C)C(F)(F)F)s1 1644316605 DZNWVBZFEFNATB-GFCCVEGCSA-N 413.487 1.754 30 10 HDEE Cc1nc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)nn1-c1n[nH]c(C(F)(F)F)n1 1644436812 BQWITOAJNSLRQS-SCSAIBSYSA-N 423.224 1.001 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CC[C@@H](COC)O1 1645171791 YQZLSTXKKZVUQQ-FJIDUMEYSA-N 410.511 1.715 30 10 HDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1645781345 HTUDFQUTGVXULG-UHFFFAOYSA-N 404.319 1.486 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3C[C@@H]3c3ccccc3OC(F)(F)F)C2)c(=O)nc1O 1648790493 KQVLMYPMYHIXMO-ZIAGYGMSSA-N 420.347 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H](F)C1 1649068362 DFVWUXHYLPGBBG-DCFQSUQFSA-N 410.446 1.367 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CCO2)cc1 1652920064 UPYUBQGWSPMMEB-MOPGFXCFSA-N 421.457 1.649 30 10 HDEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCC#C[C@H]2CCCCO2)c1 1653540678 QHTACOMPFHNARR-QGZVFWFLSA-N 413.503 1.848 30 10 HDEE COC(=O)c1ccc(N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)c(C#N)n1 1655458019 FTOMDVRJSYEGHE-MRXNPFEDSA-N 410.430 1.970 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1 1656624256 IJBZXVQXIFNYFR-UHFFFAOYSA-N 415.309 1.946 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OCC 1656679676 GKRUNIZTPIJYTG-ZDUSSCGKSA-N 418.899 1.884 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1657564368 MSZCSNVDZYHGDO-CQSZACIVSA-N 415.899 1.521 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCO[C@@H](c2cccc(C#N)c2)C1 1658097144 UBUBEYUQZDTJJW-MRXNPFEDSA-N 412.412 1.411 30 10 HDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)CCC#N)cc1Br 1662029162 BUKYCZMLYRVBLI-ZDUSSCGKSA-N 420.329 1.289 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OC 1663797317 UVOZKKWRORITMW-GFCCVEGCSA-N 404.238 1.079 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)nn1 1669875391 UFFUAGUKATYBCA-UHFFFAOYSA-N 410.399 1.236 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC 1670894374 VBTMWAVCPCDWRR-OAHLLOKOSA-N 402.494 1.013 30 10 HDEE Cc1cc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ncc1C#N 1679652206 FRTYVORRIAQDHS-UHFFFAOYSA-N 420.417 1.244 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 1684600685 OZCGCGYYQNUDNY-UHFFFAOYSA-N 419.489 1.510 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c1 1684827645 YKYAFPJMPLVGQD-FQEVSTJZSA-N 400.435 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1689865154 OVDBHINUTQTTFE-AWEZNQCLSA-N 409.487 1.393 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689985791 BNFRPZHBKBIVDC-QZTJIDSGSA-N 415.519 1.392 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988719 VBQYBGOFOPTYOY-HOCLYGCPSA-N 407.540 1.087 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690029437 BNJOBWNKFBLLMA-RTBURBONSA-N 412.538 1.145 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1([S@](C)=O)CC1 1690104973 OOJNZTZGXITUSJ-MHZLTWQESA-N 407.565 1.631 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccn(C)n2)CC1 1690143878 FTRMXJAMMBVYQS-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690177476 WYKJEDCTAHUYDQ-QGZVFWFLSA-N 405.568 1.671 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690231623 IQQAMFCJRBGTOC-HUUCEWRRSA-N 423.359 1.982 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)CC1 1690253150 NFTRMRYQALQBJN-PXNSSMCTSA-N 415.542 1.856 30 10 HDEE C=CCCOCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1690511942 GTNJJIVXECLTCH-NQIIRXRSSA-N 421.542 1.044 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOCC)CC1 1690669015 QLFBVBHQPQZPPV-UHFFFAOYSA-N 413.526 1.109 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690734097 VMBLJARJRBHLER-KRWDZBQOSA-N 422.599 1.494 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCCO)CC1=O 1696882261 AURVYXFJRHRJSI-UHFFFAOYSA-N 412.494 1.560 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c(OC)c1 1697381714 XDLLOZLYDCAFMV-MRXNPFEDSA-N 417.466 1.090 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)OC 1698166658 AXAVFCZNYMCWLD-DOTOQJQBSA-N 406.531 1.604 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1705478799 GEVSFGLFWQAFLT-GHTZIAJQSA-N 405.543 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1705481122 ZXCIRAFFTHKTMM-UGSOOPFHSA-N 421.343 1.571 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705536360 NZFAFRBQULIYRG-IBGZPJMESA-N 421.505 1.271 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1705585423 DILTYFKOJQWAJJ-HSZRJFAPSA-N 407.518 1.613 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCSC1 1705669860 ZEXQKMWAZSTBPP-AABGKKOBSA-N 406.552 1.790 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1705827384 CMHMHUPIMWAIAE-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1705827623 MEMOATMYEHKLPH-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705828222 GUQDEOVRLJBWDI-OXQOHEQNSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1705843692 LRDFKUQNWWTUJD-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc(NC(C)=O)nc2)C1 1705928387 PNKDGCWBIRGHSB-KRWDZBQOSA-N 400.483 1.998 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCSC2)CCOC1 1706660985 QTEDMVIBFBHKSW-ZYSHUDEJSA-N 409.556 1.925 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)C1 1706935113 MHTWCWVCNAVUFZ-JTDSTZFVSA-N 407.540 1.879 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1706971696 XFJAKCUHUPTBOS-QRWLVFNGSA-N 416.457 1.946 30 10 HDEE CO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712678532 VTJZJXPOHZHHRN-QBNCKDSPSA-N 423.477 1.015 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnnn1CC1CC1 1722282313 PPBMYONSRKRIOR-ZDUSSCGKSA-N 407.438 1.756 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H](C)N2CCOCC2)c1 1722307213 KCYCGNSSSIEDAH-QGZVFWFLSA-N 410.522 1.617 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722316122 BPNQWBMGOFSKNV-KBPBESRZSA-N 420.457 1.751 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722352171 FNVXPBRERSUPEX-OAHLLOKOSA-N 402.499 1.698 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1csc(COC)n1 1722353922 WVAIUCJAGLQFNH-UHFFFAOYSA-N 400.464 1.726 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722358369 BBCIASDHSFMUJN-HZPDHXFCSA-N 406.508 1.898 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1722384354 VEHCMBYEESLQLH-OAHLLOKOSA-N 403.533 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1722426355 AISSCVVCZGCGLY-IERDGZPVSA-N 418.469 1.622 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C2CC2)CCC1 1722428618 HXEXMSKNVUKNJN-INIZCTEOSA-N 406.552 1.847 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1722698184 VUIYBFKVTPHHEC-KRWDZBQOSA-N 410.482 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CC)Cc1nc(O)c2ccccc2n1 1722723590 AKHBCBCCYLSLCE-UHFFFAOYSA-N 416.507 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722727486 OUHFTXHXRIPDHV-HNNXBMFYSA-N 416.569 1.160 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC(C)C)cs1 1725343845 LHHJEKHBBGXMGS-GOSISDBHSA-N 405.503 1.991 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740627159 YSYMAWXVPJBAPV-QGZVFWFLSA-N 417.535 1.698 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCSC1 1740640268 JGVHFLPPRWTAGN-NQIIRXRSSA-N 410.499 1.731 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnccc1OC 1740683780 FNCQXZSTPLBAQA-UHFFFAOYSA-N 424.461 1.544 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1740793975 ZZWBCPZSCCRHAA-INIZCTEOSA-N 404.515 1.271 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740876903 XMSCUFNDRSFJDO-DLBZAZTESA-N 421.567 1.738 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740878156 SGSJGRYFPLFDRC-IBGZPJMESA-N 423.521 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)Cc1cnn(C)c1C 1740956155 LPISNTSFIDTBTK-UHFFFAOYSA-N 409.494 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1740987728 XZEDEIMLBZRRIV-UHFFFAOYSA-N 423.583 1.853 30 10 HDEE CN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1747931412 FWSDEUGQWZZEAL-KGLIPLIRSA-N 402.421 1.395 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748745153 HMIOIOXNCVLDJH-UHFFFAOYSA-N 402.524 1.614 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N1CCOCC1 1748773657 AVTJPKVPJHYTCJ-UHFFFAOYSA-N 404.474 1.730 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1748825285 SSUPLQALOJEQNS-UHFFFAOYSA-N 401.511 1.942 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2)CC1 1748971683 YTHNPZJPYKDBCV-UHFFFAOYSA-N 408.506 1.348 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC=CCO2)CC1 1749009498 JSMMBRPLWKAQRE-OALUTQOASA-N 413.522 1.483 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1749118714 ITILXMSFGBJWAZ-KSWRQPAISA-N 409.556 1.858 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1749187736 IDMVZHUZWDISHZ-KRWDZBQOSA-N 424.553 1.881 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1749234335 DRGYDHIAJLOJJP-IXDOHACOSA-N 403.508 1.711 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749236044 ZQCNDVRUCBBMAO-SJORKVTESA-N 416.526 1.241 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCC2 1749956232 XANFWKKUIVRJBX-FZKQIMNGSA-N 404.450 1.030 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C1CC1)N(C)C 1750139787 RMCMCGMFAJNYNW-BOSXTWCSSA-N 406.506 1.784 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C[C@@H]1F 1750341566 AVLWDGFILLVDFK-KDOFPFPSSA-N 410.457 1.785 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1751103613 ISXLJNTVWOMUHS-XAGMJWQQSA-N 417.514 1.093 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760178686 XFCZBLNBGZODNR-GOSISDBHSA-N 411.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1760194215 DKQHBLLVCBYDEN-QGZVFWFLSA-N 415.519 1.349 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760228074 USTFUJOJMAQZAR-UGKGYDQZSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2ccn(C)n2)CC1 1760256252 MNVMHWVTIROPTA-UHFFFAOYSA-N 410.913 1.725 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOC(C)(C)C)CC1 1760257165 QGBKKWPMDZLXJD-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1760263002 JZGZJQIRJUDVEZ-UHFFFAOYSA-N 407.503 1.902 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760345910 ZBBUAJQMBJSBFO-FUHWJXTLSA-N 402.543 1.885 30 10 HDEE C=C(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1760365406 XHCKXXVAZHCMPK-ICSRJNTNSA-N 411.506 1.994 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760441487 KDIBJDSDKYESNU-HXUWFJFHSA-N 423.565 1.973 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccn2)CC1 1760449226 DPZQQEFYMFQKNE-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1760466636 CKAMCKNXSTUYDG-UHFFFAOYSA-N 405.524 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1C1CCC1 1760556234 XFBZLSYUYIIAIL-HZPDHXFCSA-N 407.540 1.599 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C1CC1 1761882435 ZXUTVXCARZUWLW-MRXNPFEDSA-N 422.537 1.911 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1765891062 ULPMDDFWIBJAFB-IOMROCGXSA-N 419.526 1.866 30 10 HDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1766189419 MFWDMJVTLXDHOP-HNNXBMFYSA-N 422.493 1.934 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1766946005 FZPAPBOUJSBCDS-MRXNPFEDSA-N 412.516 1.264 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1767552253 ALVNVIQIDPPBRX-IFXJQAMLSA-N 422.555 1.082 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1769463243 GGPHBEANZNNTKG-KXBFYZLASA-N 406.462 1.702 30 10 HDEE COCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769789090 JKNBJXWUGSVITM-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCOCCCO)C1 1770730790 DYPLYVIPVHWQHW-LJQANCHMSA-N 407.421 1.837 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1771261843 LVWYOCSIKMLSFJ-QGZVFWFLSA-N 422.493 1.483 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1771535517 PUMLTJXIYPUXRQ-IRXDYDNUSA-N 407.540 1.879 30 10 HDEE CCN1C(=O)CN(CC(=O)N2CCCc3nc(C#N)cc(Br)c32)C1=O 1849314509 XILVMXCXKQPCOL-UHFFFAOYSA-N 406.240 1.279 30 10 HDEE CN(C(=O)CCN1Cc2ccccc2C1=O)c1snc(N2CCOCC2)c1C#N 1851243242 MJMAXFSBHSJNHU-UHFFFAOYSA-N 411.487 1.860 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1nccc(N2CCOCC2)n1 1852048764 AUBHEYLXDOZUKK-GFCCVEGCSA-N 401.858 1.561 30 10 HDEE O=C([C@H]1CCC(=O)N1c1ccccn1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852067777 HEUYHMOZYDBJEL-SNVBAGLBSA-N 404.370 1.448 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cnn(-c4ccccn4)c3)CC2)nc1 1852686135 BIMKFIWDNBMZRX-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 1852767843 CYQRHQPFRKEFLI-LJQANCHMSA-N 419.485 1.672 30 10 HDEE CC(C)(CN1CCN(CCn2ncccc2=O)CC1)C(=O)Nc1ccc(C#N)cc1 1853087149 JTKZGSPIDUFHMQ-UHFFFAOYSA-N 408.506 1.397 30 10 HDEE CC(C)N([C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1853745189 RUPVWPFGFVUBBB-MSOLQXFVSA-N 403.504 1.587 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)cc1 1853844432 AIGISEFEYXIGGZ-UHFFFAOYSA-N 406.442 1.054 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1=O 1854167084 CMWITUGNYDVZAZ-IRXDYDNUSA-N 405.882 1.565 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4cc(OC)ccc4C3)CC2=O)CC1=O 1854318882 KFXQZXVQPKEMMA-VQIMIIECSA-N 411.502 1.463 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3F)C2)CC1=O 1855661593 JBCLYMUFYCHXKV-HNNXBMFYSA-N 409.483 1.226 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2=O)CC1=O 1855917974 APUOZLANGAZXDP-HNNXBMFYSA-N 409.408 1.911 30 10 HDEE C[C@H](C(=O)N1C[C@@H](C2CCN(CCC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1856150219 JAZFMKWNLFVGKZ-QAPCUYQASA-N 411.506 1.682 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4ncccn4)C3)C2=O)ccn1 1856418374 QNLQRDNWQHGOFD-QAPCUYQASA-N 406.446 1.275 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)Cn4cccn4)C3=O)CC2)n1 1857006555 RDOADPHCMHGFSA-SFHVURJKSA-N 408.462 1.068 30 10 HDEE COc1cccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1OC 1860733354 ZPXCQGZUGKNEOI-DHZHZOJOSA-N 404.444 1.250 30 10 HDEE N#Cc1ccccc1NC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCNC=O)C1=O 1863246060 OTVPPCWQGGXMRD-UHFFFAOYSA-N 419.397 1.795 30 10 HDEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782979 NPSOQPBSPSANFD-CRAIPNDOSA-N 418.563 1.760 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCCCO 1870525094 FGGXSIBOJAJEQE-UHFFFAOYSA-N 421.538 1.326 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882591524 KAXRHIZZXKREQI-OFJJUDJNSA-N 422.503 1.423 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 1890079556 GDPGJBCRCJPAFK-UHFFFAOYSA-N 406.490 1.926 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)CCCOc2ccccc2)C1 1891735967 AIDCDIBZCPYXJZ-QGZVFWFLSA-N 402.476 1.990 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1895129411 FWJSGDOMMSULEN-QJPTWQEYSA-N 413.334 1.479 30 10 HDEE Cn1nc(Br)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914902404 ZDTUNBGWALRECW-CQSZACIVSA-N 424.324 1.581 30 10 HDEE C=C(CNC(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1)B1OC(C)(C)C(C)(C)O1 1991968714 XZSHDIIVCGIMEL-UHFFFAOYSA-N 410.320 1.956 30 10 HDEE CN1CCC(C#N)(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089783911 CFAKKHGRLCUSFT-UHFFFAOYSA-N 418.519 1.360 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)NCC(F)(F)F 2157040422 AMBWDTMAYBGGGB-UHFFFAOYSA-N 414.280 1.876 30 10 HDEE C#CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@H]1CCS(=O)(=O)C1 2180116409 ZJMNBNFOLZYMQG-HOTGVXAUSA-N 400.541 1.822 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2196369876 XYYQBTPUKMZJOQ-HUUCEWRRSA-N 400.545 1.996 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245261175 YJKBDKQUTCUSFE-PQAPVRDISA-N 410.320 1.908 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247835931 SUTROHHBIDECKQ-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2247916327 VTLRRFGBJHWYMC-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@]12CCOC2 2247931133 DYPYMLHTNQQBKZ-BTYIYWSLSA-N 420.315 1.906 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1c(Br)cccc1C#N 2248968446 MNYQELICIPFSEE-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267370447 MCHWSMIIDAZGRL-DEOSSOPVSA-N 407.388 1.484 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2279305329 KTJBDJYWBLCRHQ-LBPRGKRZSA-N 401.363 1.303 30 10 HDEE C[C@@H](CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281806929 HPSNPAAIJOVARB-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)sc2Cl)OC1(C)C 2281977956 WHUJVHOBRUIURI-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282031484 SOIOIWXXHNJXLF-MNOVXSKESA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COCC[C@H]3N)cc2Cl)OC1(C)C 2282304401 KEOSQESIVFZIEV-MNOVXSKESA-N 422.765 1.095 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@H]3O)s2)OC1(C)C 2282340310 DNKRPBPNTCMYQW-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282349198 VSGIVWAWCUMVFQ-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CC(C)CN(C1CNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282407770 CCQZVLWWIVKJFR-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N1C 2282501591 ZCKIZUOPMJQUFO-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502955 RYQDBASISACCGA-SNVBAGLBSA-N 402.709 1.052 30 10 HDEE C[C@@H]1SCCC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503327 YLWIFRTVLMEENV-AAEUAGOBSA-N 401.363 1.282 30 10 HDEE CC(C)(C)[C@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504102 JVHHAZPNJPKILV-CYBMUJFWSA-N 403.375 1.874 30 10 HDEE Cn1cc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)nn1 2282844771 IPFNEMNEWWBMBX-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282845655 XETHEVMBMJOJFF-QWHCGFSZSA-N 400.375 1.465 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CN 2282855431 DPYXGHIORKVIQU-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C 2282866566 LUQLNHSKVQJUJE-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE C[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395320 KDEXWCYHABBCOO-JQWIXIFHSA-N 401.315 1.531 30 10 HDEE C[C@H](CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284395331 KFAJVVXQAZLEPU-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2csc(COC3CCN(S(C)(=O)=O)CC3)c2)OC1(C)C 2285594525 YIDWIGNFLLRJIC-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCO[C@@H](P(C)(C)=O)C2)OC1(C)C 2289238406 JZUINBZUMDOMND-LBPRGKRZSA-N 400.246 1.864 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2362561929 KTBUTDVHAXYCBL-UHFFFAOYSA-N 414.236 1.107 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2365201980 LPXXMAHEQOHKPL-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(NC(=O)OC(C)(C)C)CCOCC1 2367788039 NPZUKCNZDVLMME-HNNXBMFYSA-N 400.541 1.619 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCC[C@@H]1NC(=O)OC(C)(C)C 2367813920 BGXHGKDJJLHKHL-VCBZYWHSSA-N 400.541 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813926 HFBANHYVKHLRTE-RKVPGOIHSA-N 400.541 1.435 30 10 HDEE Cc1cc(CNS(=O)(=O)C2CC3(C2)OCCO3)cc(B2OC(C)(C)C(C)(C)O2)c1 2369723935 JMGCYVXQGSMXHX-UHFFFAOYSA-N 423.340 1.619 30 10 HDEE N#Cc1cccc(NC(=O)CN2CCN(Cc3cnnn3-c3ccccc3)CC2)c1 33442 YFSAPEGXAYRHGA-UHFFFAOYSA-N 401.474 1.895 30 10 HDEE C=CCN1C(=O)C(c2ccc(NC(C)=O)cc2)=C(N(CCOC)CCOC)C1=O 170051269 AFAOQTOAJFXOKW-UHFFFAOYSA-N 401.463 1.506 30 10 HDEE COc1cc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1C#N 440822661 KRRQQKIIKPUHHM-UHFFFAOYSA-N 407.517 1.939 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccnn2-c2ccccc2)c1=O 447776835 KARLXCFTPOOCIF-UHFFFAOYSA-N 419.510 1.311 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc2C1=O 465264035 SXVZVSDFNQIUNL-AWEZNQCLSA-N 416.441 1.481 30 10 HDEE N#Cc1ccc(C(=O)NC[C@H](O)COc2ccc(I)cc2)o1 476250407 DBFSGKUDHUUDOV-NSHDSACASA-N 412.183 1.926 30 10 HDEE N#CCCSc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476808783 RSHGUHUAJRDVQE-INIZCTEOSA-N 416.503 1.527 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)c(F)cc2N2CCOCC2)CC1 493156254 XBAOSNZRKVRWPN-UHFFFAOYSA-N 423.464 1.253 30 10 HDEE N#Cc1cscc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 498070824 BXDRSTHIWWBJSC-UHFFFAOYSA-N 405.457 1.194 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 505922658 KBJGONWKIGYLNO-UHFFFAOYSA-N 413.497 1.360 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 506654351 UMDOVMPTMHWWEV-CVEARBPZSA-N 409.508 1.560 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508477611 MAASISHSLSWARF-HUUCEWRRSA-N 405.503 1.763 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508730242 NRDYAVFGKFCUES-LJQANCHMSA-N 411.554 1.757 30 10 HDEE C=CCOc1ccc(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 509369536 DIGSAXJLXIXZRV-ROUUACIJSA-N 409.552 1.723 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 518975409 ZOIZFTYRDDWHBV-KRWDZBQOSA-N 405.520 1.626 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2nnc3ccccn23)CC1 522778267 KYUPRYSNISPHKY-UHFFFAOYSA-N 411.447 1.139 30 10 HDEE C[C@H](O)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543891599 GLKLYTVJUSFWMN-LBPRGKRZSA-N 402.842 1.454 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(CCS(=O)(=O)c1cccc(C#N)c1)C2 551723898 VLNJPHZBJMPEMH-UHFFFAOYSA-N 419.528 1.298 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCOC2)CC1 555453314 JXWILBXZJSCSPT-IBGZPJMESA-N 424.549 1.714 30 10 HDEE CS(=O)(=O)c1ccc2ncn(CCS(=O)(=O)c3cccc(C#N)c3)c(=O)c2c1 564561762 NXLCVWYYCGBTPR-UHFFFAOYSA-N 417.468 1.146 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCC(C#N)(c2ccccn2)CC1 571418873 GCQAGEHXBOYZLI-UHFFFAOYSA-N 405.501 1.731 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 575369564 WLKBCJVWQVFYMC-RDJZCZTQSA-N 405.524 1.994 30 10 HDEE Cc1cc(N2CCCN(S(=O)(=O)N(C)C)CC2)n2c(nc3ccccc32)c1C#N 577449413 BOVBUHKMNMQAKU-UHFFFAOYSA-N 412.519 1.986 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c(F)c1 586859958 NSNZZKHQYDFWPP-GOSISDBHSA-N 403.454 1.890 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 590914349 LGZRRRZWHURBNR-MRXNPFEDSA-N 415.490 1.257 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 610598625 AOSOSDOEXLRFLC-QVKFZJNVSA-N 414.462 1.563 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 610768459 QDPIPYQZHIXXFU-GFCCVEGCSA-N 409.402 1.597 30 10 HDEE COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2ncccc2C#N)CC1 619510233 IQFUBOUGKRAPCO-FQEVSTJZSA-N 419.485 1.202 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 679526572 NFDGARRFIDATRJ-UHFFFAOYSA-N 401.385 1.799 30 10 HDEE CC(C)[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)C 729697747 CLQGMOSPIMNQHR-GOSISDBHSA-N 421.519 1.615 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 733202628 ULUHWNCPXSRGES-KRWDZBQOSA-N 402.520 1.718 30 10 HDEE C=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC 733870683 QAXSTIKVSHFHAH-UHFFFAOYSA-N 400.409 1.114 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(NC(=O)OC)cc2)CC1 739034147 KMQARGCQYQAXRR-UHFFFAOYSA-N 403.483 1.037 30 10 HDEE Cc1nc2sccn2c1C=NOCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 742360450 QZGJTSVQVAAGIL-CQSZACIVSA-N 412.537 1.726 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 742665315 MPBIZTITXLQQPU-HZPDHXFCSA-N 405.524 1.178 30 10 HDEE CC1(C)CN(C2(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCCCC2)CCO1 746239214 HKGZYWKSINBLKM-FMQUCBEESA-N 418.538 1.833 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 747337749 SRQHRIUIQMTPFC-UHFFFAOYSA-N 407.430 1.981 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C#N 752395182 WYUJGRLJQIXVTE-INIZCTEOSA-N 410.434 1.264 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1Cl 766589645 JZFLUTBVRAWXCA-UHFFFAOYSA-N 414.918 1.230 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766770531 XOUUYWHWPMGISU-INIZCTEOSA-N 403.435 1.590 30 10 HDEE C[C@H](CONC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 767161674 BFYJQEJZBTUUQO-CYBMUJFWSA-N 411.480 1.434 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccc2nnc(O)n2c1 767727736 GANCTTNHFBNJFM-ZDUSSCGKSA-N 409.402 1.936 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 768013843 SDMNOWICRHHZAP-CYBMUJFWSA-N 420.472 1.275 30 10 HDEE COC(=O)[C@H](OC(=O)c1cnn(CC(=O)NC2CCCC2)c1)c1ccc(C#N)cc1 772352643 LSDBSFQBGHPHDH-LJQANCHMSA-N 410.430 1.885 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 774186236 ADXBDRCLXQFGHS-CQSZACIVSA-N 416.446 1.671 30 10 HDEE C#CCN(C(=O)NCc1nccn1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 774242721 FNPVATOIONITSG-GOSISDBHSA-N 400.504 1.458 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccnc(N2CC[C@@H](C)C2)c1 774484951 VIMNEKAKEGPYCY-CYBMUJFWSA-N 400.460 1.927 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCN(c3ccc(F)cn3)CC2)C1=O 774651336 VBDRLERXPSGLBA-UHFFFAOYSA-N 408.437 1.636 30 10 HDEE C#CCN(C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@H]1CCS(=O)(=O)C1 775832931 CKCNIALCAPNZPT-ZDUSSCGKSA-N 406.489 1.868 30 10 HDEE COc1cccc([C@@H]2[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC(=O)N2C2CC2)c1 776318615 CGKIBXCANFPYPH-SYYKKAFVSA-N 408.502 1.946 30 10 HDEE CCC1(CC)CN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CCS1(=O)=O 778485754 CWGOSJHMAMIIBN-HNNXBMFYSA-N 416.503 1.801 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 784616737 ZEQSQXGOTPGYIC-LJQANCHMSA-N 416.455 1.109 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 788575394 IDJYPNSPMMYDEL-NDWLXSOOSA-N 419.507 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NCC)ccc2C)n1 790102400 KDPZJBGJYKYFRH-UHFFFAOYSA-N 418.519 1.412 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C[C@H]2CCCO2)C1=O 790747725 QGXDTNZMAGMMEB-HUUCEWRRSA-N 410.565 1.927 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)c1 791983183 NGGRXNVUTIBDJE-INIZCTEOSA-N 400.460 1.687 30 10 HDEE C[C@@H](C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)n1cnc(C#N)n1 800981153 CCSANEPGEIGFDG-VIFPVBQESA-N 402.354 1.876 30 10 HDEE COc1ccc(CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1C#N 805223759 MSDBIBJWIXLAGH-CYBMUJFWSA-N 408.402 1.188 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)NCC(C)(C)CCC#N)ncnc1-2 806739195 DKOWRSOUPHVMFM-UHFFFAOYSA-N 423.319 1.540 30 10 HDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 809922212 BPLNTMUAAFPHOU-INIZCTEOSA-N 401.448 1.666 30 10 HDEE COCC#CCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 811364888 UDBFKUGRUBZREH-CYMYHSCOSA-N 405.450 1.659 30 10 HDEE COC[C@]1(CNS(=O)(=O)c2cnc(C)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 813705309 ICWOVFWXBLZCME-LJQANCHMSA-N 424.523 1.956 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@@H](C)F)cn1 814710788 RPNFDKDSVLKCTQ-UKRRQHHQSA-N 412.535 1.651 30 10 HDEE CC(C)(C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 917124757 BRKIBNWLSAQCLY-UHFFFAOYSA-N 416.297 1.502 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)N3CCCC[C@H]3C)n[nH]2)cn1 1084025361 YIAYCBVHJUUNCN-CYBMUJFWSA-N 406.516 1.587 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)c1 1125221398 FEIZDVTTXFYSGV-OAHLLOKOSA-N 416.528 1.778 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1 1129758169 PITPOLPAROJOEO-UHFFFAOYSA-N 413.381 1.617 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(F)(F)F 1134050036 AIZWXIXHPJIEEY-CYBMUJFWSA-N 409.361 1.421 30 10 HDEE C=CCn1ncc2ccc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc21 1134572688 PLWOGVFKIGBTGB-OAHLLOKOSA-N 415.475 1.326 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1139176128 SMJKODQEDURFOP-UWJYYQICSA-N 404.463 1.896 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(=O)OC 1141995300 MQTUQGDXCBDPFS-ZDUSSCGKSA-N 408.457 1.549 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1B1OC(C)(C)C(C)(C)O1 1142770510 AFOWCLLVUSYMDF-ZWKOTPCHSA-N 400.328 1.887 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1154247070 NDCNLKWQQLSUIH-ZOCIIQOWSA-N 413.540 1.857 30 10 HDEE N#CC1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCOCC1 1159207743 ZVQGCVQGKKMCLI-OAHLLOKOSA-N 404.854 1.982 30 10 HDEE COc1cc2nc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)c(=O)n(C)c2cc1OC 1179423404 RJLZZMDVYCDRIT-UHFFFAOYSA-N 413.430 1.429 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CCCN1C(=O)OC(C)(C)C 1180028600 SQQFDSHTQAUGIR-VFNWGFHPSA-N 415.494 1.670 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)N2CCC[C@@H](C)C2)s1 1181441181 FZMIBVMNFAPGGA-CQSZACIVSA-N 413.565 1.520 30 10 HDEE Cc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc(S(C)(=O)=O)c1 1184167088 MVFIMDKAGMRYMB-UHFFFAOYSA-N 407.473 1.187 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 1188221887 FMZTXPVRTSPTDU-CQSZACIVSA-N 402.480 1.430 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CCO1 1196554757 YKIGISHNBVKVDZ-UTKZUKDTSA-N 404.463 1.831 30 10 HDEE N#Cc1nc(NC(=O)NCC(=O)NCCN2CCCCCC2)ccc1Br 1219696711 HPEIAMMLVZDQSQ-UHFFFAOYSA-N 423.315 1.829 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1226867450 RXBCFFRUFWIJRJ-GOEBONIOSA-N 408.503 1.850 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCO[C@](C)(C#N)C1)Cc1ccc(C(F)(F)F)cc1 1252627553 XLHQQRBRVCSQOX-KBXCAEBGSA-N 412.412 1.934 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC(=O)c2ccccc2O1 1254309748 URYKRWWNHNTPCC-LSDHHAIUSA-N 406.446 1.602 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1286283530 SGBQMHDMSJKMIJ-SJORKVTESA-N 421.509 1.099 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1286313699 DFPAJOFLCFKMAV-OAHLLOKOSA-N 421.571 1.679 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286356275 NBECYYMXWMNVEE-KRWDZBQOSA-N 406.556 1.813 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC=C 1286425999 GFSIBDVHVWFVIM-UHFFFAOYSA-N 415.457 1.359 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1286443236 CSWGRSIGAQBADD-UHFFFAOYSA-N 402.524 1.514 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)CC1 1286477264 USGHAYQAHRRKIM-GOSISDBHSA-N 424.578 1.798 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2nc(C)nc2C1 1286546280 IAXIKXLKPYMENH-DOTOQJQBSA-N 414.514 1.318 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286606267 LCHDQULEZSSNID-SJORKVTESA-N 416.526 1.413 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286704157 LGFAJCUHMVZEQG-QGZVFWFLSA-N 407.478 1.909 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286786594 HOKDRLAVIWTPRW-HZPDHXFCSA-N 400.483 1.191 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286790186 OPVIAKMQVOPTPP-UHFFFAOYSA-N 406.494 1.126 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1288234423 XHHPMGNCHQTFGD-IAGOWNOFSA-N 407.478 1.056 30 10 HDEE C=CCN(C(=O)c1c[nH]c2cc(OC)cc(OC)c2c1=O)[C@@H]1CCS(=O)(=O)C1 1291936933 QGKNERIFGQWWME-GFCCVEGCSA-N 406.460 1.361 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1296946466 HASIGPVEMVBJFC-MRXNPFEDSA-N 401.467 1.190 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(C3CS(=O)(=O)C3)C2)nnc1-c1ccco1 1298242866 GGAHGADLLZOPBO-UHFFFAOYSA-N 422.532 1.709 30 10 HDEE Cc1ccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)cc1S(=O)(=O)NCC#N 1299122159 HQWQNMNWWNZXCD-UHFFFAOYSA-N 418.406 1.633 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1300432040 AQPSPCXHPVKUKJ-QGZVFWFLSA-N 411.510 1.496 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300482699 GZKRGRURRVDTBZ-XLIONFOSSA-N 424.567 1.603 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(SC)CCOCC1 1300651047 ZUSRBFOPCCBDQH-UHFFFAOYSA-N 409.556 1.415 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1300894445 BZKPXUNPGKVTJC-SCTDSRPQSA-N 419.526 1.406 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301253096 VTQXQEPNAYVHTN-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C)O1 1301374915 NZYDGOJCELXODK-FXCLAUTBSA-N 424.505 1.535 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1301587089 LYLZXRZKGDWFAU-SFHVURJKSA-N 404.536 1.889 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1302265461 SGAVJBLSJJVVGZ-AWEZNQCLSA-N 414.470 1.379 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 1302877446 LEOMENMJKDWGDF-GDBMZVCRSA-N 408.252 1.206 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)n1 1304756277 LQKXZRIIOUZVBQ-WAOWUJCRSA-N 413.526 1.810 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1305083363 OIZJHLWNYUPABX-BAEHRGANSA-N 408.466 1.496 30 10 HDEE C#C[C@H](NC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 1312937755 SHDBSHJRJNDFPH-HOCLYGCPSA-N 415.309 1.626 30 10 HDEE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1313425731 WEHYROYNSBLLNA-KFKAGJAMSA-N 407.522 1.898 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)CCOC1 1314101560 URDAOPSCGLUMTJ-HXUWFJFHSA-N 406.531 1.248 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@]1(C)COCCO1 1316101841 OKMXWNBFDFKJSC-FQEVSTJZSA-N 400.483 1.436 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C(C)C 1316171415 ORIGEXIXWNYYKI-MRXNPFEDSA-N 406.531 1.904 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 1320037258 DYDMXBHIQHBAOX-QGZVFWFLSA-N 407.536 1.493 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)c1 1355123437 JYDOLNOHXRJUIE-UHFFFAOYSA-N 400.456 1.791 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1358889323 AFRGCJWLUQXGKA-RCCFBDPRSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358964090 SZRGUCNYITZKMJ-DLBZAZTESA-N 423.583 1.408 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cl 1358978110 DIAJIZLXKFFLCZ-INIZCTEOSA-N 402.907 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1358993966 APDAHMBWMDJZQZ-OXQOHEQNSA-N 416.503 1.144 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCCC)CC1 1359039154 YJZQXSUSCBYLKT-UHFFFAOYSA-N 424.549 1.755 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1359074774 QXSRNMJXDMXMMY-NVSKLWTOSA-N 410.478 1.648 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1359113878 SIMCWADFKMEBSE-YOEHRIQHSA-N 400.570 1.451 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359136400 HYNQOSGTRILAEN-YRNRMSPPSA-N 422.482 1.637 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1359302544 KVVBZJUTQZLSAM-SFHVURJKSA-N 414.510 1.196 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC1CC1)C1CCC1 1359332066 OAHQIYBRMHTHST-MRXNPFEDSA-N 407.540 1.599 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359456195 QFSDJOHGZBZZBN-SFHVURJKSA-N 407.478 1.154 30 10 HDEE CC(C)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359683646 HFKPAXXCLXWHEN-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1438907114 GRLPQVQUSKFMRI-MGPUTAFESA-N 405.426 1.607 30 10 HDEE CN(C[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1442113865 BCNCHTNGGNCZKC-CQSZACIVSA-N 419.482 1.316 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)/C=C3\SCC(=O)N3C)c(C#N)c2N)cc1 1445160747 UDNWOPYQFQHDMM-GRSHGNNSSA-N 410.503 1.730 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1450322346 DFHWVUJFVUFKQR-PBHICJAKSA-N 419.503 1.213 30 10 HDEE Cc1ccc(C(=O)NCCCN2CCCS2(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1454529821 PCVAAPQMSUSHKU-UHFFFAOYSA-N 422.356 1.450 30 10 HDEE CN(C)c1ccnc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1455837859 ZBUGGANPQRTTDS-UHFFFAOYSA-N 401.492 1.283 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1459784095 GHYCXIPNNHXEOR-UHFFFAOYSA-N 414.506 1.738 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)CCS(=O)(=O)c1cccc(C#N)c1 1460604184 LATWVIDCHNGBRK-UHFFFAOYSA-N 411.524 1.805 30 10 HDEE C#CCN(CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1461937802 QNMZXOPDISHMRJ-OAQYLSRUSA-N 419.547 1.972 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)C[C@@H]2CCCO2)c1 1465205433 ZDSPYNKOGMIUEG-KRWDZBQOSA-N 407.488 1.668 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1468801906 IRBXNNDUVPYKIL-YWMAMYRUSA-N 422.482 1.045 30 10 HDEE C#C[C@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1469908405 MNMSLBXGOOSFOV-AWEZNQCLSA-N 400.298 1.314 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(F)ccc2nc[nH]c12 1470828274 LOAHDVQKWFMFRY-LLVKDONJSA-N 401.423 1.557 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1473116043 DVIWRANHPIYJQJ-IAGOWNOFSA-N 409.527 1.895 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CC(C)(C)c2ccc(Br)cc2)CC1 1474681284 BLJFDVNWGJUIFV-UHFFFAOYSA-N 414.369 1.812 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478403927 OEZSCPBKVKPGFY-ULQDDVLXSA-N 410.563 1.317 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)c1 1492547720 HXWHPJBDTQMIIM-LJQANCHMSA-N 424.505 1.953 30 10 HDEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1503285348 QPGWUXPJLBLOCF-YJBOKZPZSA-N 410.544 1.241 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507572509 LYIUBTWSJVNFRC-OAHLLOKOSA-N 416.507 1.352 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC)N1CCCC1 1507612603 XSGAGBALVREESO-SFHVURJKSA-N 405.510 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1507667587 PBVJPADSQFHIKW-QGZVFWFLSA-N 417.473 1.448 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCC[C@@H]1C 1507713160 ZFNQGOQUVVUWQI-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCC=C)CC1 1507728419 TYOLUMWHLLMGKC-UHFFFAOYSA-N 417.517 1.408 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507749025 VODWGHHJKFIZSC-INIZCTEOSA-N 413.503 1.961 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507865574 DGCFZSYIYJTPMQ-CABCVRRESA-N 421.933 1.799 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CC1 1507885205 UVPUKVALKDKFAC-KRWDZBQOSA-N 424.567 1.922 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1512576432 ACEWTVYQMTZSFT-ASSNKEHSSA-N 412.494 1.650 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1519275889 GOQNPNREUJUZMR-OXQOHEQNSA-N 424.521 1.555 30 10 HDEE N#Cc1cccc([C@@H]2CN(c3nnc(C4CC4)n3CC(=O)NCC(F)F)CCO2)c1 1521082421 GDROXMKBNVJEJK-INIZCTEOSA-N 416.432 1.986 30 10 HDEE Cn1cc(C#N)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)n1 1524282689 WKBILEFIALVQRL-NRFANRHFSA-N 402.414 1.851 30 10 HDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)ncc1C(N)=O 1525818712 CKTYLYLNPNZIGE-QJOMJCCJSA-N 415.475 1.554 30 10 HDEE CN(C)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(C(F)(F)F)c1 1537005815 NADUNQFTZRPJHJ-XJKSGUPXSA-N 401.410 1.782 30 10 HDEE CSc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1-c1ccccc1 1538540189 SMRDQEYPEIVFKI-UGSOOPFHSA-N 402.501 1.605 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)C1=O 1538915516 YTAQQIKDVBOUMJ-UHFFFAOYSA-N 405.370 1.661 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@H]1C 1539172059 SOAQQVZIQHYEGL-QRQCRPRQSA-N 406.490 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@@H]2CCOC2)CC1 1539480905 GGBUGLNJLHQQOO-IEBWSBKVSA-N 415.538 1.912 30 10 HDEE N#Cc1c(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)nc2n1CCOC2 1539553497 MJXUTHBTMALLSC-UHFFFAOYSA-N 415.475 1.396 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540160862 CFGSLXHJXZTWDI-MRXNPFEDSA-N 402.524 1.800 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c1 1540719666 QZGUVLLKGNHZIJ-UHFFFAOYSA-N 410.430 1.583 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)C(C)(C)C)C1 1540882001 ZHPLHFZGEPKKTF-HYDGNGQDSA-N 423.583 1.843 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1541988956 CRWMDNFURJWUSU-OXJNMPFZSA-N 414.514 1.476 30 10 HDEE C#CCN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@@H]1CCOc2ccc(Br)cc21 1543685737 MTKSFUSFPLQFNI-SMDDNHRTSA-N 405.248 1.787 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)COCc2nccn2C)cc1 1544462698 IIKULZVMFJWREU-LTGZKZEYSA-N 405.480 1.388 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1555560425 JDYHZKLQLJYBFJ-OAQYLSRUSA-N 415.494 1.721 30 10 HDEE Cc1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1S(=O)(=O)NCC#N 1556103326 OAUGOCZKAMRSBZ-UHFFFAOYSA-N 415.475 1.613 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 1557624259 YPKSMXOEEOLRTM-SNVBAGLBSA-N 409.291 1.291 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)NC3CC3)cc1)C2 1558675921 UKURGMGEFZZULO-UHFFFAOYSA-N 402.501 1.841 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1558707662 YXXRZJWXWAYGNP-KRWDZBQOSA-N 403.284 1.698 30 10 HDEE CN1CCN(C2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)CC1 1560078067 HPIUCCSFIIGXJL-UHFFFAOYSA-N 407.522 1.394 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 1564924359 KZOYDAPTZQFQEE-UHFFFAOYSA-N 402.476 1.489 30 10 HDEE Cn1c(S)nnc1CCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1564995487 ZFXRXZBBCKSGSK-UHFFFAOYSA-N 422.518 1.598 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)n1 1565410708 CXMNXUILKFPTIW-UHFFFAOYSA-N 402.455 1.620 30 10 HDEE N#CCN1CCC(CNC(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1565738270 OYVLLVYGVXUPLL-UHFFFAOYSA-N 404.272 1.390 30 10 HDEE C#CCN1CCCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1565815439 GFCLYCXQBWSXJU-UHFFFAOYSA-N 413.337 1.780 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(Br)cnc3O)C2=O)cc1 1568504807 HHORJVVLHJWVBD-HNNXBMFYSA-N 415.247 1.952 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCCS(C)(=O)=O 1587673989 UIQLTZMNFHOXJX-HNNXBMFYSA-N 406.508 1.758 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1587697075 JFZDVWROBJNLKO-LAUBAEHRSA-N 401.511 1.702 30 10 HDEE CNC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1587728285 QHSVAYMWKWCAHO-TZQQIIETSA-N 404.511 1.758 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588166680 NCFFYBXBCNEARZ-MSOLQXFVSA-N 419.551 1.092 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(C)=O)nc1 1588214118 IWJGEXJKMQPNQE-UHFFFAOYSA-N 400.446 1.600 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1588637659 IUSWLIVDIZEXKS-MOPGFXCFSA-N 403.527 1.864 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594499029 ZIVZSJASFIGXOF-INIZCTEOSA-N 413.526 1.971 30 10 HDEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1594698477 RRDGGRFSFNLUEA-UHFFFAOYSA-N 411.470 1.148 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1594733379 SDRZGNCNXIEBQU-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1594733618 WHBFWLHLWSSQBV-WBVHZDCISA-N 420.539 1.458 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1COCCO1 1595191420 SRMQKIRZVJVOOG-IBGZPJMESA-N 422.493 1.905 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCC2)CC1 1595784088 CBTQZPGRPOHYIM-UHFFFAOYSA-N 404.540 1.549 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N(C)C(C)=O)CC1 1595812150 OKFNIAOGHSIJCD-UHFFFAOYSA-N 409.556 1.279 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1nc(C#N)cs1 1611470032 OHUQKMOQRILNLL-UHFFFAOYSA-N 406.489 1.274 30 10 HDEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1616915668 QGHNUWDMEGUGOP-ZPMCFJSWSA-N 413.474 1.730 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)[C@H]1CCCO1 1616964789 VJWKVHYVTWNPMO-FRYIKTPZSA-N 420.531 1.231 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1617948136 YZFVIOMXTCJUJR-INIZCTEOSA-N 406.479 1.431 30 10 HDEE Cn1nccc1[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1619470190 ROIUNXMYHPCFFT-QGZVFWFLSA-N 404.492 1.738 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 1627145079 CMNAZIWBUBIHRV-HNNXBMFYSA-N 424.457 1.917 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1627417937 XWAGQGSDESXTJN-IFXJQAMLSA-N 409.483 1.754 30 10 HDEE C#C[C@H]1COCCN1C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1628161543 MRFMZQKWZLAQKQ-HNNXBMFYSA-N 418.498 1.217 30 10 HDEE N#C[C@@]1(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC12CCCC2 1629757876 JTFGWIIYABJLHV-JOCHJYFZSA-N 402.539 1.538 30 10 HDEE CC(=O)CCc1ccc2oc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c(C)c2c1 1630030354 DKOAABZUUOHXGE-UHFFFAOYSA-N 408.414 1.827 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)C(=O)OC 1634064086 XKHVVIWOCYKGRG-LSDHHAIUSA-N 412.483 1.263 30 10 HDEE COc1cc(N)c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1S(C)(=O)=O 1635487908 MYSWDMKKWXHKNP-HXUWFJFHSA-N 414.487 1.773 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 1636311381 LXMJZHKIQMGLEI-FQEVSTJZSA-N 401.507 1.824 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)nc1 1638843794 PDBYAKCDELZZMB-UHFFFAOYSA-N 406.446 1.991 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1639950954 FINLZEGBLQQGBJ-UHFFFAOYSA-N 414.487 1.116 30 10 HDEE NS(=O)(=O)c1ccc(Br)c(C(=O)NCC#C[C@H]2CCCCO2)c1 1640374151 FAYMTWWFMMEKCH-LLVKDONJSA-N 401.282 1.399 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@@H](CN(CCC#N)CCN3CCOCC3)C2)C1 1641935381 WLKQUQVZYZTOHA-DENIHFKCSA-N 422.570 1.950 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1642663381 VAFKIQYEUAEOKH-QZTJIDSGSA-N 411.543 1.796 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 1643769496 OIJKXNIFYJMVQJ-LLVKDONJSA-N 410.862 1.080 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CCOCC1 1645986922 ORQUIUJOLKCTHK-IBGZPJMESA-N 402.472 1.916 30 10 HDEE C[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1647995809 XVDWQQBSQJQEHU-ZDUSSCGKSA-N 416.459 1.943 30 10 HDEE CN(C[C@H](O)CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)OC(C)(C)C 1648041035 IEYYYAGUKZPACJ-HUUCEWRRSA-N 408.524 1.885 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1652173427 RWCQMPTWCNJYFJ-SJLPKXTDSA-N 406.571 1.426 30 10 HDEE Cn1ncc(I)c1CN1CCN(c2ccc(C#N)nc2)CC1 1654715530 UHAAEMNARUTLLI-UHFFFAOYSA-N 408.247 1.614 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CC1 1655061769 XNOZJQSGIUYHJW-OAQYLSRUSA-N 411.550 1.597 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1660542145 HLTOHZRNJOCXAI-LJQANCHMSA-N 403.548 1.624 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1661617672 YONGYVFUTOIERW-HZPDHXFCSA-N 401.463 1.872 30 10 HDEE N#Cc1cccc(OC2CCN(S(=O)(=O)C[C@@H]3CCCS(=O)(=O)C3)CC2)c1 1662032352 BUHAUMYPJALDQN-MRXNPFEDSA-N 412.533 1.556 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 1667978336 WKBIXTRAUKTGIH-UHFFFAOYSA-N 424.501 1.882 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 1672652131 MIEUICRUPRSVJG-CYBMUJFWSA-N 417.247 1.856 30 10 HDEE C=CCN(C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2)[C@H]1CCS(=O)(=O)C1 1674932779 MDLRMNMROPXVQH-KRWDZBQOSA-N 421.519 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCC2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1682186308 RWJFNGGIQXVUMH-INIZCTEOSA-N 423.514 1.074 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)n1 1683314980 DXZWFPBGSDMPSD-BPQIPLTHSA-N 403.483 1.294 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1 1683675895 HLEKHVHAJCQHFM-HXUWFJFHSA-N 412.515 1.723 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1684463352 POQGJYRCGOFCKH-UHFFFAOYSA-N 402.451 1.180 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCC[C@H]3CCCS3(=O)=O)CC2)cc1 1687453121 NNTAOWSNEIWQKP-LJQANCHMSA-N 404.536 1.743 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1687789112 UOGPAMKUUXPOKW-YWZLYKJASA-N 410.482 1.008 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1689826778 UREZJYJPAGPVBG-LSDHHAIUSA-N 404.540 1.461 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1689855140 OYADVHHMZWTLFJ-OAHLLOKOSA-N 407.478 1.547 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN(C)CC(F)(F)F 1689860650 FLQWBXNGHITUCY-AWEZNQCLSA-N 400.449 1.743 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1689942867 FUTDKWTWRYLIPM-UHFFFAOYSA-N 416.526 1.983 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1689946325 PAEVDNZKOUOCKF-AWEZNQCLSA-N 406.512 1.190 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689979938 JNOZYNXFXQCQIQ-BPQIPLTHSA-N 407.584 1.759 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1689986186 KKNQLXSVEXXZRQ-KRWDZBQOSA-N 417.560 1.886 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689987855 DFDITETWAUDTRJ-HNNXBMFYSA-N 417.539 1.177 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1690059551 RZWHOXDQSXZTEQ-JSGCOSHPSA-N 410.569 1.916 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCNC(=O)OC(C)(C)C 1690104133 NLGXWLLZUXPJDC-MRXNPFEDSA-N 407.515 1.783 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NC(C)C)CC1 1690144300 TWVKVTXUHKXDDA-QGZVFWFLSA-N 416.526 1.010 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1690188530 KPIAXIOEQAPRMD-JOCHJYFZSA-N 421.505 1.908 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690484955 HZPXPRJLSCIUDG-KSZLIROESA-N 423.583 1.303 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCc2nccn2C1 1690609144 FCWZWUXUARROMY-KRWDZBQOSA-N 413.526 1.612 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690642336 JNVMFBNHFMHZRZ-KRWDZBQOSA-N 424.505 1.776 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2cncn2)CC1 1690672933 ILJTVBBNXWFYHU-UHFFFAOYSA-N 421.509 1.074 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1692851610 FYUWGRJVLMJSCK-VQIMIIECSA-N 407.540 1.737 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1705475567 NBFSWBBVPDCLSL-INIZCTEOSA-N 404.478 1.601 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705535162 CLGLDGHAFKAOBC-IBGZPJMESA-N 421.505 1.444 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1705538235 HHKPIYFDGFTAIR-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1([S@@](C)=O)CCC1 1705630406 SIPCBNVKPYEFNR-GDLZYMKVSA-N 418.567 1.527 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1705639320 LWSNCOKGOONTQV-CABCVRRESA-N 401.433 1.505 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO 1705667497 MZMRCLVFJFQCJA-XMSQKQJNSA-N 414.554 1.353 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)CC1 1705694231 POWKJGFFQZXQTR-HOTGVXAUSA-N 404.515 1.099 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2CCS(=O)(=O)CC2)C1 1705918462 JXOKDWHSECWHMB-QGZVFWFLSA-N 419.551 1.890 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722288345 YWUIANYGUIGCRM-CQSZACIVSA-N 406.483 1.482 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1722368291 QWGOLAIKBFYWCE-HOTGVXAUSA-N 402.524 1.241 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@]2(O)CCSC2)CC1 1722449823 QADKRSQGWPHQLN-FQEVSTJZSA-N 403.552 1.064 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1NC(=O)CC1(C)C 1722468753 PIPAYUFDZGCAGP-GCKMJXCFSA-N 403.527 1.909 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1722619947 NDGGWZYFJCGSBT-UHFFFAOYSA-N 413.526 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722728289 OZYRWZGAEYRUDO-INIZCTEOSA-N 424.489 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1722728558 XCJJHEMKSPTNJZ-WBVHZDCISA-N 420.539 1.285 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1723675613 IEUVLJRVBQLRQP-IPELMVKDSA-N 409.462 1.176 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)C)C[C@H]1O 1729785676 QQPBLBIVPGDAIK-SJLPKXTDSA-N 413.478 1.745 30 10 HDEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1729808648 VRODCSXZCBCQPM-MRXNPFEDSA-N 424.509 1.247 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1740598581 VRSNPDISPLXDGJ-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740631370 QXDCIRCMURNYLR-ICBNADEASA-N 405.502 1.672 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1740645654 QASLDXIAABNJGZ-DLBZAZTESA-N 407.465 1.558 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1740684082 JRRPKXVCEWNYQJ-LJQANCHMSA-N 409.490 1.436 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2noc(CC)n2)CC1 1740691632 KYEUHWUFVNZHBA-UHFFFAOYSA-N 416.489 1.760 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1740720210 SEVNJOWNMDQPNK-GOSISDBHSA-N 415.567 1.027 30 10 HDEE C#CCSCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1740723327 PEUNGMXOHISHBQ-INIZCTEOSA-N 418.611 1.731 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1740724800 DGGYMWGIISPRKE-FSSWDIPSSA-N 417.554 1.377 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1740744206 PEFUKQHGILNCLQ-CYBMUJFWSA-N 421.361 1.952 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740781935 MBTYQRFOOUCOQJ-STQMWFEESA-N 409.512 1.840 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1740889168 ZNOQIUISTAXRDL-YLJYHZDGSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H]1CCCO1 1740953786 QYFJDTYFFPJKKK-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740991349 URZMCZVTHWHMGD-AWEZNQCLSA-N 408.484 1.026 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1748639384 GGBHYNCKDWETIR-AHIWAGSCSA-N 411.553 1.315 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1OC 1748667123 NOBPPMMWEGBQJG-ZQIUZPCESA-N 401.467 1.515 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749032097 VKPJGROTGOERJN-HNNXBMFYSA-N 407.565 1.966 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1749454934 MRASBEDSKHWFOW-CALCHBBNSA-N 419.482 1.449 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749650509 ZPRUBVYACBRDDI-YOEHRIQHSA-N 418.542 1.502 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCS(=O)(=O)N2CCSCC2)C1 1749714137 GGIDXNHUNZSGCG-OAHLLOKOSA-N 415.585 1.000 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1749729182 DBIHFQFDPABZSC-MRXNPFEDSA-N 417.535 1.521 30 10 HDEE CS(=O)(=O)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1 1750207157 CGDAPVYSTDOCSP-UHFFFAOYSA-N 419.507 1.390 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1750389943 AXVVOOPGGDVPKE-OAHLLOKOSA-N 418.498 1.893 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC(=O)N1C 1752320994 GYNMXTKSLPLHRX-OAHLLOKOSA-N 414.535 1.599 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1760145324 MLUVWEBTBRFKBQ-AWEZNQCLSA-N 403.508 1.570 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1760174081 DKXVKUGMCKYPCD-FXAWDEMLSA-N 411.506 1.828 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1760229875 IMPXFRPXIBXKOR-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)CN(C)C)CC1 1760270395 WKPAUEGQZJVONT-GOSISDBHSA-N 416.570 1.336 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760278273 PHLVIWTTZYHSAS-IAGOWNOFSA-N 400.504 1.672 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760293368 UFHALKJIEWMRFT-VGOFRKELSA-N 408.506 1.827 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760305387 CSRCXSDOKRPVIW-CYBMUJFWSA-N 406.288 1.749 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1760488951 LAGHDNFOKBTJOP-HOTGVXAUSA-N 419.555 1.841 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCOC2)nnc1[C@]1(OCC)CCOC1 1760528310 YSWZMFVMGMEAGI-UZLBHIALSA-N 407.515 1.095 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761042030 MINCTIVMYXBCSI-NHKNDPDJSA-N 416.526 1.864 30 10 HDEE CO[C@H](CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1769611163 QAIKDIBEWDMPQW-LSDHHAIUSA-N 410.400 1.960 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OC)c1 1770050085 IPTFLYKSASDNCK-YJBOKZPZSA-N 401.467 1.788 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1771125754 COCWKEGTUQXLDV-AEFFLSMTSA-N 410.478 1.169 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1771125755 COCWKEGTUQXLDV-FUHWJXTLSA-N 410.478 1.169 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)CC1 1771535565 QWADUSMHADXILY-DLBZAZTESA-N 402.499 1.412 30 10 HDEE NC(=NOCCCN1CCOCC1)c1nnn(-c2ccccc2)c1-c1ccncc1 1848551029 CJYJTFGBWJYGEW-UHFFFAOYSA-N 407.478 1.689 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CC1 1849412359 OWWPATPTXAIQEU-UHFFFAOYSA-N 424.482 1.894 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)c1 1849853343 KZQJPDMWWCOLPV-UHFFFAOYSA-N 420.441 1.464 30 10 HDEE CN1CCN(C(=O)CCC(=O)N(C[C@H]2CCCO2)c2c(C#N)cccc2C#N)CC1 1851212924 BVKYJBHTALVABL-LJQANCHMSA-N 409.490 1.496 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)CC2)c(Cl)c1 1851344023 HFSRKOPSAYYFIX-AWEZNQCLSA-N 415.906 1.839 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCN43)CO2)nc1 1851451017 PRXYMVUXESVDLE-QAPCUYQASA-N 405.414 1.851 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(c3nnnn3-c3ccccc3)CC2)cc1 1852838442 KDOGTENUZDWBDN-UHFFFAOYSA-N 402.462 1.489 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cccnc2O[C@H]2CCOC2)CC1 1853184788 PCLDADOKNAQFRU-SFHVURJKSA-N 423.473 1.495 30 10 HDEE N#Cc1ccc(N2CCN(CCOCc3nnnn3-c3ccc(F)cc3)CC2)nc1 1853227377 NREDHKYLVVGPBM-UHFFFAOYSA-N 408.441 1.407 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1853679212 GBWWZDXBPSRMJW-QGZVFWFLSA-N 423.579 1.750 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC4(CCOCC4)C3)C(=O)C2)cc1 1854033340 VOBZPXLIAKOQSX-UHFFFAOYSA-N 417.487 1.125 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(OC)nc(C)c(C)c2C)C1=O 1854158091 JTUZIXLYIPPVKE-IAGOWNOFSA-N 414.506 1.475 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(-n4cccn4)nn3)C(=O)C2)c(F)c1 1854337919 LAAMUMISOQDFGZ-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE Cc1cnc(C(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1854800049 ZTCRWGXPGDBRJO-GOSISDBHSA-N 406.446 1.336 30 10 HDEE Cn1nccc1C(=O)N1CCCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854825258 AAWJTGWZCGWEET-SFHVURJKSA-N 407.478 1.030 30 10 HDEE Cc1oncc1C(=O)N1CCCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854831740 RNUVHHYFAYXLHX-SFHVURJKSA-N 408.462 1.593 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(OC4CCCC4)nc3)C(=O)C2)C1 1855003410 QAJKQOWAILMGAX-SFHVURJKSA-N 411.506 1.675 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCCn2ccccc2=O)CCN1Cc1ccc(C#N)cc1F 1855038567 RXJCSSDNXNDUES-MRXNPFEDSA-N 410.449 1.899 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nnc(C4CC4)s3)C(C)(C)C2=O)CC1=O 1855071256 YRBRFQGGBFGALQ-CQSZACIVSA-N 417.535 1.399 30 10 HDEE C[C@H]1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855955222 BQVMTFZHJFNJPK-YJBOKZPZSA-N 403.504 1.127 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)C(=O)C12CCCC2 1856281568 KWJRYRQNQQERQH-OAHLLOKOSA-N 402.520 1.758 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCn2ccnc2CC)C1)[C@H]1CCN(C)C1=O 1857080435 NCKCHURBRRTMFH-MSOLQXFVSA-N 415.538 1.320 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@@H]1CCN(C)C1=O 1857270446 MCHHPLNJYRKDRR-JKSUJKDBSA-N 402.495 1.581 30 10 HDEE C=CCN=c1cc(-c2cc3cnccc3c(N[C@H](CCC(N)=O)C(=O)O)n2)cc[nH]1 1857822992 LCIDMLOASQCXLV-MRXNPFEDSA-N 406.446 1.842 30 10 HDEE CN(C(=O)c1cccc(C#N)c1)[C@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 1858192996 BHLKNWNRSKMIMO-ROUUACIJSA-N 418.496 1.270 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 1861166280 LYZHWTSAKMLPSL-GOSISDBHSA-N 404.486 1.090 30 10 HDEE CCSc1nnc(CNC(C)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874432514 JRGRVMLERBYMAK-QGMBQPNBSA-N 406.424 1.588 30 10 HDEE C=C(I)CS(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1883744394 LKTTZJIBPQZNCV-MRVPVSSYSA-N 419.237 1.328 30 10 HDEE CCOc1cccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890144401 UBYNRKBSZNTWST-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE C#CCO[C@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108232598 ZJLZVSMWJVGLMN-MGPUTAFESA-N 422.478 1.455 30 10 HDEE C#CC[C@H](CNC(=O)OC(C)(C)C)Oc1nc(Cl)nc2c1S(=O)(=O)CC2 2128056660 HLYHPHZAIUXSKN-SNVBAGLBSA-N 401.872 1.755 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)c1ccccc1C#N 2174780808 YMQAHWDDUCGYGW-UHFFFAOYSA-N 415.493 1.129 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174786338 IXDHWQNIPGPCCL-PTFIGZPYSA-N 422.573 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@H](CC(F)F)C1 2183436984 JXXMGPGLOCYDMQ-QWHCGFSZSA-N 408.471 1.653 30 10 HDEE CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](CC#N)C(F)(F)F 2197779610 VFWSMXCVOQLONM-MNOVXSKESA-N 413.418 1.323 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2243401987 AGJVWQWZKIWVLO-UHFFFAOYSA-N 406.292 1.496 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243403599 ZWDUQYXBHPKYNL-OLZOCXBDSA-N 406.292 1.494 30 10 HDEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2247830100 XWQXBJZYROKTEX-GFCCVEGCSA-N 420.319 1.694 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)n1 2247845656 TWWLSRQDJPFRBJ-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247910530 MNXGUPKGPRIEPH-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CCc1nn(C)c(C(=O)NCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247916177 RMSYALXIKPFMER-UHFFFAOYSA-N 422.335 1.536 30 10 HDEE Cc1cnc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2247944751 RMDFKIJAQULWBS-UHFFFAOYSA-N 413.205 1.192 30 10 HDEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250002377 KKJICZDWXNSRQU-UHFFFAOYSA-N 418.303 1.944 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC(C)(C#N)CC1)NC(=O)OCc1ccccc1 2270522811 WEOPCKDTQGHPPK-INIZCTEOSA-N 423.491 1.410 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)S1 2282350410 MONAUMYHVXAHRN-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1C 2282351840 GWJHHRARZTZXEC-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE C[C@@H](CO)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282493164 SBQCEPVGXGQGLJ-GFCCVEGCSA-N 403.737 1.888 30 10 HDEE CS[C@H](CO)[C@@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602955 ZOUWPBGSCCFCIJ-ZWNOBZJWSA-N 400.737 1.876 30 10 HDEE C[S@@](=O)CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282848610 POVAFWCCLVFHFA-RUZDIDTESA-N 419.399 1.436 30 10 HDEE CCOC(=O)CN(CC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282865299 RQNULCJBVWZGMZ-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](F)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284412564 CVIQRJJMJJOKPR-SNVBAGLBSA-N 407.294 1.447 30 10 HDEE COC[C@](C)(NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284448089 WBTSUXBZQFCKJL-INIZCTEOSA-N 403.693 1.920 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H](O)C[C@H]1C(F)(F)F)C(F)(F)F 2294643605 UPGSXDFWJCMTHV-WATHFIQWSA-N 404.229 1.900 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338242026 QMWAFQRCFZJGKJ-KGLIPLIRSA-N 401.554 1.801 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2365210171 JOYNUYTZAJEYBA-JJXSEGSLSA-N 402.557 1.407 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367804503 UEEYURIJFSYCDQ-CABCVRRESA-N 400.541 1.699 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 2367812325 RUKVOOGIYHOFOP-CVEARBPZSA-N 402.557 1.553 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367816964 QPNNJUJDLPZJLE-JYJNAYRXSA-N 402.557 1.599 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)C1 23258746 CLPWJVRHZLZWJI-JOCHJYFZSA-N 413.566 1.149 30 10 HDEE CCN(CC)[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 46278720 UXVWLYYILWTTIU-MRXNPFEDSA-N 407.540 1.304 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 105287706 RFCDOSJTRSCESW-UHFFFAOYSA-N 411.487 1.456 30 10 HDEE CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 111010866 BUSKWHPFTKLAMW-VQFGERMISA-N 404.536 1.690 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 254396909 HICATRTYXXTLFH-STQMWFEESA-N 400.453 1.288 30 10 HDEE COCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC(F)F)c(OC)c2)c1=O 254619845 GAANHYIMGTZMCV-UHFFFAOYSA-N 421.425 1.583 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3cccnc3)n2CCc2ccccc2)n(C)c1=O 254858932 YGKGNMPNEIIHIT-UHFFFAOYSA-N 403.446 1.517 30 10 HDEE C=CCOCCNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 380236271 MPCODNAQIMPLQM-UHFFFAOYSA-N 411.217 1.470 30 10 HDEE C[C@@H](C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 409900158 QWZQTCIFPHKCBC-ZDUSSCGKSA-N 401.858 1.147 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 410381661 MMNPZHKFULKYIF-ZDUSSCGKSA-N 408.553 1.848 30 10 HDEE COc1ccc(C)nc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 462700236 AOGSOKSEXJXZQI-UHFFFAOYSA-N 415.475 1.809 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@](=O)C[C@H]3c3cnn(C)c3)cc2C1=O 467594040 LAXFPPYZTWTPND-ADKRDUOOSA-N 412.471 1.148 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccn(C)n1 470745557 PVZDCNJGQAMVHZ-INIZCTEOSA-N 404.448 1.142 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 480417127 IVAHOHMZHISPSU-ZDUSSCGKSA-N 415.460 1.612 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482366577 ULCLSRKTHPVYAH-OCCSQVGLSA-N 403.508 1.323 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)o1 498112161 RDXMHJYRYKINSB-ZDUSSCGKSA-N 405.457 1.709 30 10 HDEE C=CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 507765547 FJNUELFHCYNSST-OAHLLOKOSA-N 404.488 1.655 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CCC(Oc3ccc(C#N)cc3)CC1)c(=O)n2C 507834209 PWOGUKQHCYNSKG-UHFFFAOYSA-N 422.489 1.239 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(-c2ccccc2C#N)c1=O 515663751 LQKQDJBOSAVSQG-UHFFFAOYSA-N 417.494 1.622 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)Cn3cncn3)nnc12 520037461 DCMQNHDSJAOGDJ-CYBMUJFWSA-N 424.490 1.119 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 523181874 JYZYEIXJGOWNLT-KRWDZBQOSA-N 411.527 1.992 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccccc1C 525265800 PVXYQPFOGOLUJQ-UHFFFAOYSA-N 419.506 1.603 30 10 HDEE C[C@H](C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)n1cnc(C#N)n1 540606993 JRIMGKCHLDOWHA-CQSZACIVSA-N 414.491 1.475 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(O)n1 550192630 JCSQVJHWJDNJHC-UHFFFAOYSA-N 409.490 1.482 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCCN(S(=O)(=O)C3CC3)CC2)c(OC)c1 555066691 TUDFGNWIDAYCCP-SFHVURJKSA-N 424.563 1.663 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 574965656 IELNEQXJIOICJU-OAHLLOKOSA-N 409.471 1.900 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@H]3CCCO3)CC2)c1C#N 576005921 HXSGABHQNKVUEJ-MRXNPFEDSA-N 421.509 1.692 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCCN(c2cccnn2)CC1)C(C)C 576246516 NGLWBTQOEXQLKE-IBGZPJMESA-N 414.554 1.330 30 10 HDEE Cc1nsc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1C#N 578700885 MFRFGWICZBRTFA-UHFFFAOYSA-N 401.517 1.791 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 609228506 WQIMQLHUJFKJSO-OAHLLOKOSA-N 415.471 1.985 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615454971 IJMUUANAIVXXKQ-INIZCTEOSA-N 419.551 1.187 30 10 HDEE CCOC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3ncccc3C#N)CC2)c1 619558629 ARMLQGDIAILISY-IBGZPJMESA-N 410.474 1.692 30 10 HDEE C=C(CN)Cn1c(C)nc(I)c1I 725537882 HYQGTITYFCVWAE-UHFFFAOYSA-N 403.005 1.916 30 10 HDEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732152433 BIWRLVJDIOEQLG-DPHDRGAJSA-N 416.503 1.698 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCOc1ccccc1C(F)(F)F 732461890 CHIDLDPUQNYLGA-NXVVXOECSA-N 412.368 1.910 30 10 HDEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 734600153 XQLOLXQFALGSKB-MRXNPFEDSA-N 408.458 1.647 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 751734240 QTXFOWYXGGHFCY-MRXNPFEDSA-N 410.474 1.591 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)CC2)n1 760779704 YHDGTERXSRGSAW-UHFFFAOYSA-N 402.451 1.605 30 10 HDEE CNC(=O)c1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767673036 BPLLNTGINANTBW-ZDUSSCGKSA-N 401.444 1.328 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)n(CCC#N)n2)C1=O 767933514 LZKWQXRBARPCCO-NRFANRHFSA-N 424.461 1.828 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768666298 UCLZMODDQREBON-ZETCQYMHSA-N 401.263 1.208 30 10 HDEE C#CCN(C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C)[C@H]1CCS(=O)(=O)C1 769534980 JTURSTLJVNDFAI-PMACEKPBSA-N 405.564 1.975 30 10 HDEE CNC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 772566524 ZLULREPXMGIGBC-KRWDZBQOSA-N 408.524 1.172 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 772923890 KMEMPYAEXGDJTP-YCPHGPKFSA-N 422.507 1.208 30 10 HDEE CN(c1ccc(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O 780216877 FBBBIUDKSGLFBJ-SFHVURJKSA-N 402.428 1.414 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 780854722 NVLICYBXUXGOSD-SFHVURJKSA-N 419.434 1.390 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 781001500 OAPDEHVLYFVNDT-PWRODBHTSA-N 404.470 1.307 30 10 HDEE N#C[C@H](C(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)NCc1cccc(Cl)c1 786541045 VOJZYIBADSTRSA-OAHLLOKOSA-N 410.817 1.781 30 10 HDEE C[C@H](C(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 787733735 IITSNGDUTNVBSL-UONOGXRCSA-N 407.492 1.535 30 10 HDEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 795977129 RONKHZQCAHYMGQ-LBPRGKRZSA-N 402.432 1.388 30 10 HDEE C=CCOC[C@H](NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)OC 796453932 BOVKTMAOYGXJJU-AWEZNQCLSA-N 408.455 1.177 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)n1 799418004 WNGYTTFRNUWBLN-UHFFFAOYSA-N 422.493 1.844 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 802376977 XUWUDUIFMQWVDD-IBGZPJMESA-N 413.522 1.426 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)NCc1ccc(CN2CCOCC2)cc1 803849930 ZFZNEDXXTLHYEJ-MRXNPFEDSA-N 408.458 1.647 30 10 HDEE C=CCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1125953147 AEFVMUOCVZLTMQ-RBSFLKMASA-N 404.504 1.783 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 1135646088 WIIJMFNSFSHEEP-CQSZACIVSA-N 420.512 1.622 30 10 HDEE Cc1ccc(C(=O)N(C)CC(=O)N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1136816061 PJNPVHFQTYWOOX-UHFFFAOYSA-N 402.300 1.225 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCNC(=O)c1cccc(O)c1 1137473349 GMARSUYLAKPQCI-QGZVFWFLSA-N 403.479 1.935 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)cc1S(=O)(=O)NCC#N 1141109703 CLHLAZSGUDMNHX-OAHLLOKOSA-N 408.480 1.100 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1154979697 OKCHVXUQGSMXQB-IZCOPSDLSA-N 404.507 1.454 30 10 HDEE CN1CC[C@@]2(CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)C1 1158522232 ALOZWDHJPDMGSG-AVRDEDQJSA-N 409.490 1.708 30 10 HDEE CS(=O)(=O)c1nc(C(=O)N2CCN(c3ccsc3C#N)CC2)c2ccccn12 1166617107 IETDSMRAGUNPQV-UHFFFAOYSA-N 415.500 1.633 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1CCN(C)C2=O 1167096587 DRKDBWIPOLQPNR-CYBMUJFWSA-N 412.471 1.492 30 10 HDEE COC(=O)C12CCC(CC1)N2CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1175323993 RDRLFJQZXPWBML-GSVIPDFHSA-N 414.481 1.705 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)ccc1Cl 1175612393 RPSVSSKBLRVGMB-PKOBYXMFSA-N 404.898 1.875 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2C(=O)c3cccc(Cl)c3S2(=O)=O)cc1 1189311357 HJCNECIOEFTNJT-ZDUSSCGKSA-N 406.847 1.990 30 10 HDEE COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1F 1198072676 ZDOCNPGDQKBUSO-RFUYNDQBSA-N 409.483 1.051 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CC(F)(F)OC(F)(F)C1)C(F)(F)F 1205034103 DKSYMGRLIIECSF-ZCFIWIBFSA-N 405.292 1.036 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCNc2ncccn2)cc1 1214686823 IGDYDSQUFZJEJW-UHFFFAOYSA-N 404.496 1.907 30 10 HDEE COc1ccnc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1F 1253242615 LOHYGLVOJYLQEA-UHFFFAOYSA-N 400.414 1.998 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 1255123383 IDAIHTCNYKXCIN-HNNXBMFYSA-N 400.522 1.437 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(CN3C(=O)CSC3=O)c2)CC1 1272408884 OQLQPJLGXCUCFQ-UHFFFAOYSA-N 401.444 1.801 30 10 HDEE CC(=O)c1cc(C#N)ccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1272901766 FGYQFOAZQCQCQD-UHFFFAOYSA-N 400.435 1.779 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286317638 SYFAMTOQKYJEQM-UHFFFAOYSA-N 412.519 1.702 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286335516 KNLSYDWYHSJAOM-MHORFTMASA-N 417.510 1.740 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286387380 QLRRPRFVGIAUHT-NVXWUHKLSA-N 417.560 1.720 30 10 HDEE C#CCN(c1nnc(CC)n1CC1CC2(CCOCC2)C1)[C@@H]1CCS(=O)(=O)C1 1286391116 BVUANHODRNKMCC-QGZVFWFLSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nncn1CC 1286403751 LSEIKORURYBUCW-UHFFFAOYSA-N 405.462 1.695 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 1288177680 QIJKTKMOQCUODK-OAHLLOKOSA-N 400.508 1.624 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1290687804 UEPGKQAHUNIAIM-CGQZWFTASA-N 401.482 1.953 30 10 HDEE C#CCN(CC(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C)C(=O)OC(C)(C)C 1295424673 OVJHJVLCMPYBTC-ZDUSSCGKSA-N 403.443 1.538 30 10 HDEE C=CCn1c(SCC(=O)NC[C@@](C)(O)C(=O)OC)nnc1-c1ccc(Cl)cc1 1296145883 KTWNAVQEBJCKBF-GOSISDBHSA-N 424.910 1.917 30 10 HDEE CC(C)c1nc([C@H]2COCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)no1 1296258901 VKHBONCANZXEDH-OAHLLOKOSA-N 422.438 1.843 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1ccccc1)c1nc[nH]n1 1299112387 AOJXNZPVGKLLFX-KDOFPFPSSA-N 424.486 1.591 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@](C)(O)c1ccccc1 1300229039 QWHUJHZINFGYDX-MDOVXXIYSA-N 401.488 1.637 30 10 HDEE C#CCN(c1nnc(C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1300485178 USCXUJXFBGSMAY-INIZCTEOSA-N 423.539 1.080 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1300538083 NHFLLJPHPANRQC-WIYYLYMNSA-N 421.501 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1Cc1nncn1C 1300596331 WZJMNTDYZYGCEO-UHFFFAOYSA-N 419.489 1.896 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1300663628 GGMXVIWPWCIVDR-QFIPXVFZSA-N 406.490 1.991 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccn(C)n2)n1 1300681012 JMXNVBMUKAYKPV-KRWDZBQOSA-N 424.509 1.047 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300851439 UMFBIPICLRAGCQ-HIFRSBDPSA-N 417.311 1.887 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300885673 RSPNUGALZXJSOC-KURKYZTESA-N 403.527 1.868 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1300914661 GOFCZKGNAFLITO-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301218863 WOROSYNBXRJUID-UHFFFAOYSA-N 407.482 1.827 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]2CCC[C@H]21 1301585033 GXZBIWFRRILBPR-OWCLPIDISA-N 407.540 1.599 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1301957379 WCPHPJYUMSYQSK-UONOGXRCSA-N 418.479 1.884 30 10 HDEE CC(C)c1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1302587069 URTVYBDLEFZDDI-HTXNQAPBSA-N 410.482 1.397 30 10 HDEE C[C@@H](CC(=O)NCCc1nc2c(s1)CCC2)/N=C1/NS(=O)(=O)c2ccccc21 1303407327 AUMUBFNNSPUVKC-LBPRGKRZSA-N 418.544 1.808 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCN(CCN(C)C)CC1 1304829908 IZMGIYYNAFVUBT-UHFFFAOYSA-N 424.553 1.395 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cnccn3)[C@H](C)C2)s1 1305943786 NOSZHUVWNLBLOQ-CQSZACIVSA-N 421.548 1.282 30 10 HDEE C=CCN(C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1307537927 NSUSIPGXIYKKRE-TZIWHRDSSA-N 422.547 1.825 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1307876168 ZTFGFQAXEURMNP-OXJNMPFZSA-N 421.519 1.220 30 10 HDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccc(-c2ccccc2C#N)cc1 1307966587 JTXZBENXZYNXJL-ICSRJNTNSA-N 418.453 1.893 30 10 HDEE COc1cc(C(C)C)c(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1C 1309696227 HHRIKLGAGSGPOP-UHFFFAOYSA-N 406.464 1.240 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(Cl)c3)CCC2)CC1 1313169850 ZKMHHYDYEWEQSI-UHFFFAOYSA-N 424.954 1.557 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)N1CCOCC1 1316172713 UXBWALAQTCAMGH-ZWKOTPCHSA-N 420.558 1.853 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCSCC1 1348583623 WUPMJJVDWCTNOD-UHFFFAOYSA-N 415.487 1.835 30 10 HDEE C[C@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1349165162 KOEFEGBIZFSTQB-OAHLLOKOSA-N 406.508 1.796 30 10 HDEE Cc1cc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)no1 1350773795 HKHQWHZZQHLWRF-HEHNFIMWSA-N 406.464 1.951 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NC2(C#N)CCN(C)CC2)N(C(=O)OCc2ccccc2)C1 1358275887 RWEGRDBYEOOVDN-QZTJIDSGSA-N 400.479 1.517 30 10 HDEE COc1cc(C#N)ccc1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1358494156 NLTDIBROBUYLOO-ZDUSSCGKSA-N 402.451 1.973 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1358912275 NGGNAFQGYGFXKW-KRWDZBQOSA-N 424.567 1.819 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1358930575 YATGCCKLQABGQJ-JYJNAYRXSA-N 407.540 1.117 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1-n1cccn1 1359025011 ZZNDWDAASRJQLY-GOSISDBHSA-N 407.478 1.497 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)CCC)CC1 1359044415 FSXUYEKUXLUAMM-AVRDEDQJSA-N 417.554 1.689 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1359113580 LNDAMFGFNLDLEJ-OAHLLOKOSA-N 421.523 1.606 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@H]1C 1359300886 MAOYGNCVWRPPSS-IAGOWNOFSA-N 424.553 1.989 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1359342502 ZDFWRDCLFLRVHD-ZDUSSCGKSA-N 418.489 1.833 30 10 HDEE CC(C)C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1359633464 JWBBOHCXFGAXLS-INIZCTEOSA-N 402.524 1.821 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 1435380326 GKQYPPPBDUUQNN-UHFFFAOYSA-N 417.491 1.624 30 10 HDEE Cc1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)oc1C 1443254660 PKHNUFGYIGFYHT-UHFFFAOYSA-N 420.466 1.686 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c1 1445534966 XMVDOTSBOLRWJE-VQTJNVASSA-N 404.532 1.857 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1 1446333900 FLMSQPAHHRUBRX-HNNXBMFYSA-N 422.444 1.771 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1453786523 POUPTFXGCXYZIX-LJQANCHMSA-N 407.492 1.559 30 10 HDEE N#CC[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(F)(F)F 1455982619 GOYKATCZLVHDSC-SCSAIBSYSA-N 404.972 1.764 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CCOc2ccc(Cl)cc2Br)c1=O 1459187232 OSSONQBZFPDXBF-UHFFFAOYSA-N 414.643 1.369 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1460486221 DLQFGBPWLWADIR-KDURUIRLSA-N 419.547 1.507 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)cc1 1469216180 GNENCVXEXCPFLR-LLVKDONJSA-N 409.489 1.885 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Br)c(Cl)c3)C2)c(=O)nc1O 1472371881 YFQDLBBIVXZXGN-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)C1 1472908204 SZXHGGRNIQMFBC-KKSFZXQISA-N 414.462 1.961 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)cc1 1475974522 YSKDTRTXCHYSQY-XJKSGUPXSA-N 408.480 1.455 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C[C@@H](C)O1 1478885718 KDEHRCZXCLGGRX-OAGGEKHMSA-N 416.526 1.753 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1494108821 XPNUHAGMATWFIA-HNNXBMFYSA-N 414.535 1.599 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1503213223 DFJPFQRJDUAZTD-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE CN(C)C(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CC#N)CC1 1503373308 BLHQZWLXQUZAEF-UHFFFAOYSA-N 420.477 1.812 30 10 HDEE CN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503529005 QTLFANIJSMMDQE-KIJUOZEOSA-N 400.483 1.545 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1503603213 IYLRKARYFCLJKA-MRXNPFEDSA-N 407.496 1.904 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)CC1 1505319789 KQLCDGJIQCAKSI-UHFFFAOYSA-N 416.526 1.840 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1507617663 YAWVEVWAMLHPNQ-KRWDZBQOSA-N 416.503 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(C)(C)O)c1 1507638053 NXNVTLIYZOHDLQ-UHFFFAOYSA-N 405.502 1.863 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507639415 YAIWYNWBTMFSNF-ZWKOTPCHSA-N 423.583 1.487 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1507688822 DWQJAQDJQZMNIS-CQSZACIVSA-N 419.482 1.418 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)cc2)CC1 1507723920 ZGSLESTYMIJTAX-FQEVSTJZSA-N 422.533 1.822 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 1507773797 WWOKEVDQLOXRQO-MBOZVWFJSA-N 405.568 1.513 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(CC)CCS(C)(=O)=O 1507798017 MUJAZFHSIMCWFQ-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507918159 CERHRIMQCZYPGW-OAHLLOKOSA-N 409.556 1.626 30 10 HDEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507931728 FCRDRLBEHVZQFF-HNNXBMFYSA-N 412.469 1.588 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1508075124 UVSDCMKKYHBNGZ-UKRRQHHQSA-N 420.901 1.536 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCSC[C@@H]1C 1508143539 IAYDUDCOCYUSFN-HNNXBMFYSA-N 407.565 1.806 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1508163644 WEAHAJPDPCUEPB-GJZGRUSLSA-N 400.570 1.572 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)C1 1509430947 CKYJOKOMKASNIV-ZWKOTPCHSA-N 417.558 1.467 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1516845534 CJKFIUJBXQTOMC-INIZCTEOSA-N 418.523 1.229 30 10 HDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)cn1 1517378839 AMFFAAXKFWBBJR-KRWDZBQOSA-N 411.491 1.222 30 10 HDEE CNC(=O)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1517436703 LLMNFFJTXZEZME-CYBMUJFWSA-N 418.448 1.648 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC 1521517073 GCEOEYHXNYHKQI-HOTGVXAUSA-N 409.508 1.664 30 10 HDEE CN1C(=O)CO[C@H](C(=O)NCCSCc2ccccc2C#N)[C@H]1c1cccnc1 1531877722 XERQNUNGUOIDHF-UXHICEINSA-N 410.499 1.901 30 10 HDEE Nc1c(O)nc(O)nc1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1536952422 CZSQEBTVNJECJY-QWWZWVQMSA-N 422.232 1.713 30 10 HDEE N#C[C@@]12CN(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1538539464 HGVKKQRGVVWLLI-AVRDEDQJSA-N 424.478 1.693 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539015749 RELJQGLBWSLOLK-STQMWFEESA-N 409.537 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)NC1CC1 1539030999 VRCYXEYDEIDZIW-CQSZACIVSA-N 414.535 1.786 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1539072210 NFTHJJLSPBQTBB-CQSZACIVSA-N 417.482 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1CCN(c2ccncc2)CC1 1539230589 ILUFLJARJFSDNP-UHFFFAOYSA-N 419.533 1.801 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539369876 PCPGCUCWTAOAAI-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1539447111 ODEQIXWPSYJETF-FQEVSTJZSA-N 422.533 1.276 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539488576 BFCAWYYYDYDEGJ-DLBZAZTESA-N 419.551 1.265 30 10 HDEE CC(C)(C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1541151109 GSTINIIONVXWOO-UHFFFAOYSA-N 406.512 1.607 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F 1545848006 KBWRTMXBTOQMAC-LBPRGKRZSA-N 400.430 1.803 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1547885935 WTZYNEJXYZOHFG-PMACEKPBSA-N 405.499 1.476 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1552754349 CPNQKABBBPCMOG-SJORKVTESA-N 412.523 1.772 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1555637954 YXIKBYODHNCDPI-XOBRGWDASA-N 416.457 1.591 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCOCC(F)(F)C(F)F)CCO1 1555993364 NDWHETAYJWNTCA-GFCCVEGCSA-N 414.363 1.986 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1556690857 UIPPOXJTUGFDGH-DOTOQJQBSA-N 411.483 1.019 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCN2CCO[C@H]1C2 1556736162 YUYPVDYUDIUZCC-ZLAJULMLSA-N 418.538 1.705 30 10 HDEE C[C@H](CC(=O)N[C@H](C)[C@@](C)(O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1557332195 BNFRZVGWXXRGTC-VTJXTGGHSA-N 415.515 1.916 30 10 HDEE Cn1cnc2cc(CNC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 1558388480 FQCFJAMYOLQLAJ-UHFFFAOYSA-N 411.487 1.708 30 10 HDEE C#CC1(O)CN(C(=O)c2csc(I)c2Br)C1 1558691145 CYKPMUZOVMECRV-UHFFFAOYSA-N 412.046 1.935 30 10 HDEE COc1nn(C)cc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1558744008 WXJBYRXKMKBJJI-KLSXAPCHSA-N 403.483 1.832 30 10 HDEE C=CCN(C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@H](C)COC 1562646406 RSSZJODHGTYBIL-OAHLLOKOSA-N 411.524 1.985 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1564372099 NECLDCHJVWACRF-FQEVSTJZSA-N 421.563 1.822 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)NCC2CCN(CC#N)CC2)nn1 1565738228 NJNQXHGGUNOECR-UHFFFAOYSA-N 405.503 1.158 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)C3CC3)CC2)s1 1567646131 RYKLVJLGNNWEDH-UHFFFAOYSA-N 411.549 1.226 30 10 HDEE Cc1ccc(C(=O)NCCS(=O)(=O)NC(C)C)cc1B1OC(C)(C)C(C)(C)O1 1583595771 DGMJSKQMGLJSLR-UHFFFAOYSA-N 410.345 1.352 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H]1CC[C@H](C#N)C1 1584409460 NPPQVYOVHCTPLV-JKSUJKDBSA-N 420.535 1.443 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)c1 1587213086 KWMBWVNFUZIELX-QAPCUYQASA-N 407.488 1.572 30 10 HDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1587773655 QRFJLEQPSWBQCP-IBGZPJMESA-N 411.506 1.632 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1588074269 LQZXQWCMDNQHLQ-ULQDDVLXSA-N 422.551 1.429 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1588128139 DPNGSXHOGGMMHP-UHFFFAOYSA-N 413.445 1.326 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1COCCO1 1588200415 OQZMOFFGXZFRSS-GOSISDBHSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc21 1588638200 PLKPXCCIWWAPSO-HKUYNNGSSA-N 422.533 1.766 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588968354 JEEQVNKLHADFKC-ROUUACIJSA-N 417.554 1.986 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](COC)OC)CC1 1594218260 AJRVWNXKAMYPGP-IBGZPJMESA-N 424.509 1.985 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595569305 DPJAIKHDXDVNTH-MRXNPFEDSA-N 413.478 1.201 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1595797713 HYACVLJJKKNKLY-CVEARBPZSA-N 412.556 1.982 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1595905436 KKZHWVLEMQMCRJ-IKGGRYGDSA-N 423.583 1.884 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCC(=O)NCC23COC3)nnc1-c1ccco1 1596440093 OTLWHRRTUUDTBP-UHFFFAOYSA-N 417.491 1.324 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(F)(F)F 1596783199 IPLNULHFBKLFMM-LLVKDONJSA-N 406.317 1.757 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCSC[C@@H]3C#N)cnn2c1 1597939706 CQWMFQAGSGHZNW-AWEZNQCLSA-N 416.507 1.878 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1CCC2(CCOCC2)O1)/N=C1/NS(=O)(=O)c2ccccc21 1598409192 FDIQQVKHVHTYPO-CABCVRRESA-N 421.519 1.348 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC#C[C@H]2CCCCO2)C1=O 1606801504 LZUNBWJTTSQBJI-VLIAUNLRSA-N 421.856 1.935 30 10 HDEE Cc1nc(=NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)n(-c2ccc(C#N)cc2)[nH]1 1610924819 DLJMSEMHLUSKQF-UHFFFAOYSA-N 418.461 1.377 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1611314188 HYKSOHLJZXXPFJ-HZPDHXFCSA-N 402.524 1.827 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1611359464 AQNWCRQGGYETHF-CQSZACIVSA-N 400.483 1.590 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1616348344 XPCOMGHHORDUAZ-LXUAUHLRSA-N 418.494 1.832 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCc1ccc(OC)cc1 1616951781 VCZRLCWWCLIJBA-SFHVURJKSA-N 401.467 1.769 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@H]2CCOC2)cc1 1620350165 DROBMKQUMMUAFR-QGZVFWFLSA-N 410.478 1.196 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H]2CSCCS2)CCO1 1620355162 HCACWUFHMHQJCR-CVEARBPZSA-N 402.549 1.841 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 1623848374 VMYWRELZCSTEAB-PBHICJAKSA-N 400.479 1.680 30 10 HDEE C#CCN(C(=O)CSc1nc(-c2cccc(C)c2)no1)[C@@H]1CCS(=O)(=O)C1 1625363139 KISCSANLXOZRQF-OAHLLOKOSA-N 405.501 1.786 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1CS(=O)(=O)C2 1626656217 UYBOMCXVIYYMEI-SJCJKPOMSA-N 418.456 1.729 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 1628848076 LLPKAKCQAVSTMU-JXMROGBWSA-N 401.482 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 1630249794 SGTOKRGTPHKPOX-ISLYRVAYSA-N 418.494 1.905 30 10 HDEE COCCN(CCC#N)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1632463136 BTECKKGFDJSQIU-UHFFFAOYSA-N 424.704 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1633340780 MVZBAQVUDCIUBG-QZTJIDSGSA-N 423.558 1.096 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1Br 1633360786 PHHCHUMXVYCUJH-HNNXBMFYSA-N 408.296 1.757 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 1635105183 DHLQYTSFRCNPOH-UHFFFAOYSA-N 421.885 1.761 30 10 HDEE C=CCC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1635343746 XFDKASKPWITPDI-CYBMUJFWSA-N 405.314 1.561 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ncncc2C1 1636637762 BKNRUYAMXZRPGC-QGZVFWFLSA-N 413.503 1.659 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCC4(CCOCC4)O3)CC2)c1C#N 1638752948 IOMCRZSAIILQOD-HNNXBMFYSA-N 405.524 1.883 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1639569580 USDNSHYVSRFEFI-KSZLIROESA-N 419.503 1.456 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Cc1cccc(C#N)c1 1639895183 YWOPXKJTSZBGDQ-UHFFFAOYSA-N 402.432 1.446 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(C)c(C)c1 1639968382 GNTKHLQXZATDGB-UHFFFAOYSA-N 408.520 1.775 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccncc3)CC2)cc1 1640603317 YRBISPCWZCKROZ-UHFFFAOYSA-N 400.504 1.945 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c1 1642853575 GDHGERZHSCCASJ-RBUKOAKNSA-N 413.499 1.492 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 1644285647 UTGOSZWHQJAJPU-AWEZNQCLSA-N 417.453 1.496 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CC(F)F)C2CCS(=O)(=O)CC2)c1 1645483571 QGTDFLLEXJBLHW-UHFFFAOYSA-N 413.446 1.460 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)c(=O)nc1O 1646093090 PXAPYMRCEVOQJK-UHFFFAOYSA-N 413.503 1.637 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](N2CCCC2)C[C@H]1C(C)C)c1cc[nH]n1 1647875896 FEPMDUFCYAAYRP-WBVHZDCISA-N 405.499 1.415 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CCc2ccncc2)CC1 1648247776 ANZFYMFYIZEDPH-UHFFFAOYSA-N 417.517 1.932 30 10 HDEE CCOc1ccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1653247336 FRVXUTINJVOWMW-HNNXBMFYSA-N 401.488 1.983 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(=O)OCC 1663610977 FRBTWLQHLMVMQF-CYBMUJFWSA-N 400.840 1.697 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 1667956095 IVUZVMYQOLYFLI-RHSMWYFYSA-N 406.508 1.626 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OC 1670894189 STWXQYQDJXPHRY-CYBMUJFWSA-N 418.899 1.837 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OCC 1671198929 IWPMKIDCESCEFJ-RDJZCZTQSA-N 411.476 1.729 30 10 HDEE CC(=O)N1CCCc2cc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc21 1674092096 DTKQQEMXWWXOEL-HNAYVOBHSA-N 402.476 1.388 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1 1676314012 KQEBQJSLMVSPRV-UHFFFAOYSA-N 401.488 1.948 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(c3nc(C(=O)OCC)cs3)CC2)CC1 1677128934 ZMGHLKGWBVIIPX-UHFFFAOYSA-N 407.540 1.802 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1 1681299996 CMXWVIUYMFDTGK-MJGOQNOKSA-N 409.490 1.708 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CC=C(c4ccc(C#N)cc4)CC3)nnc2c1=O 1685323450 AIYOUQHJHOHWAH-UHFFFAOYSA-N 403.446 1.341 30 10 HDEE C[C@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O 1686978299 SUBWUDZUFNDPJL-LPHOPBHVSA-N 404.536 1.741 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1689928324 LQWRQJUJNOYSOD-OAHLLOKOSA-N 412.454 1.589 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689980670 VYQINUNJCBQFFS-MSOLQXFVSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@](C)=O)CCC1 1690034752 QKIHALFCQJTQRM-PBBNMVCDSA-N 418.563 1.694 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1690062613 WMKKHHMEGZQRCZ-UHFFFAOYSA-N 403.288 1.682 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1CC 1690103987 JWBUITGAXVYPJN-GOSISDBHSA-N 423.477 1.536 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690179103 MSTVXHKAPSGGDG-SFHVURJKSA-N 410.547 1.831 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 1690411329 JYARXXZZURSAFF-VQIMIIECSA-N 410.540 1.388 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690671036 NWPIBVFFLSDLGV-DLBZAZTESA-N 418.542 1.215 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1690672516 VDSUIAXHHHDYOL-CYBMUJFWSA-N 419.432 1.449 30 10 HDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1696249167 PQNOKZAPWPKGGG-INIZCTEOSA-N 411.466 1.311 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705566531 NXORPSKKQRJVFD-FGTMMUONSA-N 420.535 1.492 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705580800 OKKQASMXYUUYSS-GOSISDBHSA-N 417.448 1.675 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1705637034 HBJAXAUUPDPARI-UHFFFAOYSA-N 400.490 1.859 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705658692 XQZKWAJSBLVDRQ-HNNXBMFYSA-N 413.551 1.540 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705750147 UIWSLWHVKKASEA-UKRRQHHQSA-N 421.841 1.966 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](COCC)C1 1705898857 AAGJREZKEQVYPN-OAHLLOKOSA-N 413.478 1.839 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnccn1 1705932484 FGSBOFZKRJJQQE-UHFFFAOYSA-N 423.502 1.844 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1 1711203794 MXIPTSRSEILTAY-FQEVSTJZSA-N 417.535 1.849 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1712456181 WJWWPQCDLMAWQJ-OAQYLSRUSA-N 412.494 1.394 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCSC1 1712458953 CVZWHAPNQXAUMT-LJQANCHMSA-N 419.555 1.374 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nccnc1C 1712530671 LSYIIXOVCJBCLF-HNAYVOBHSA-N 403.462 1.785 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(C)noc1C 1712647938 NCUSQSPIOZKIQF-BQFCYCMXSA-N 416.482 1.578 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1712886048 GYYHRWGCSAXXBU-GDBMZVCRSA-N 400.414 1.004 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1722296610 SNLBODQWXYWVIP-HZPDHXFCSA-N 411.572 1.751 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCC)CC1 1722322563 UKKIZZOQYGBKNM-UHFFFAOYSA-N 400.527 1.670 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722353545 QFOZSVTYFSMZBB-IBGZPJMESA-N 420.517 1.973 30 10 HDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1722371109 HCBAGTMMHUXGCB-CQSZACIVSA-N 419.532 1.231 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1cn2ccccc2n1 1722387938 RZRKALGVEMKQNZ-UHFFFAOYSA-N 403.490 1.770 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722409981 LVIPEQVNTPRBOR-KRWDZBQOSA-N 418.505 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCOC1 1722426968 IWZZLWBHXCNRMS-FQEVSTJZSA-N 404.442 1.234 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1722477329 FUPGCYIPXHVPHL-UHFFFAOYSA-N 413.320 1.384 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1722624700 FFBUDYWFCVCDIZ-OAHLLOKOSA-N 413.478 1.933 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722685367 FWHCDBJEOZUHKJ-LRDDRELGSA-N 422.473 1.896 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](CC)C1 1722701622 XPPXVGPGNFSLPP-GOSISDBHSA-N 413.522 1.989 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cncn2)C1 1722710156 DUODYPBHHNCYFP-PXNSSMCTSA-N 417.514 1.392 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)C1 1722723790 FIJQFXUEKMLTJG-UHFFFAOYSA-N 409.899 1.136 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSCC1 1722736587 BRKGRDWGDHSMBO-GJZGRUSLSA-N 416.569 1.156 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCS1 1724034620 AWGDKDCADHCJIL-UHFFFAOYSA-N 420.564 1.698 30 10 HDEE Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)n[nH]1 1725489367 ALKGBLVMZBFYBB-GFCCVEGCSA-N 413.511 1.535 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1729297147 GJXWXFOLTPDMMX-GOSISDBHSA-N 420.477 1.157 30 10 HDEE CNC(=O)CCCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1729706948 XLQKVBHLPJGUMS-KSSFIOAISA-N 416.482 1.477 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740623237 QHDXYVCLTSYAMN-CABCVRRESA-N 418.548 1.115 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1740638392 MPJQZRYHICUSBW-NHCUHLMSSA-N 412.582 1.519 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740686121 DZSDYDZZFGMBLU-MRXNPFEDSA-N 415.460 1.580 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1740791411 GEENNLWENQOHQT-UHFFFAOYSA-N 401.471 1.350 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740810291 AXFWANQYXNQRCO-BFUOFWGJSA-N 422.917 1.739 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740843439 HYSBFXUSEUNDOK-CVEARBPZSA-N 406.531 1.818 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1740930105 MQPXKQNIINJBRI-UHFFFAOYSA-N 402.524 1.862 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1741797821 AVDSHKCCSILHDT-CQSZACIVSA-N 403.450 1.708 30 10 HDEE Cc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742777183 DSLSJTARCYXBJM-ZDBRSUKYSA-N 400.483 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1748836239 SDDFSSBDVHUOGR-AOMKIAJQSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1748840744 ISYKIRPMPRNDIJ-KRWDZBQOSA-N 417.464 1.107 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC(=O)Nc1ccccc1 1748851630 IMLFPHCCTZMVJG-UHFFFAOYSA-N 404.474 1.502 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CC1 1748998982 DPADBTATWACVKO-QGZVFWFLSA-N 412.469 1.030 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749489413 VLXBYGAWBTWXFG-KZNAEPCWSA-N 423.583 1.999 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCOCC2)C1 1749694228 QCDRGTWHSDSDKK-QGZVFWFLSA-N 421.542 1.519 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCc1cnn(C)c1 1750070726 VELDLMCLQIBYCG-AWEZNQCLSA-N 410.482 1.968 30 10 HDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1760153738 BFNRORBTHWFHBE-UHFFFAOYSA-N 401.536 1.672 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OCC)CC1 1760278724 FHIKFCYKZHJTFS-UHFFFAOYSA-N 402.524 1.929 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1760359889 MUZOCCWVQPORGN-UHFFFAOYSA-N 420.514 1.272 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1760515122 AVNKSKSDMLBLDP-OAHLLOKOSA-N 414.514 1.219 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1760558627 VMSXICSVWDLEEE-APWZRJJASA-N 412.556 1.910 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCCNS(C)(=O)=O)C1 1761545408 UPPBMPUOFSBEJC-LJQANCHMSA-N 417.539 1.333 30 10 HDEE CCOc1ccccc1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1766061904 FAEKPVMKLUZYFU-IRXDYDNUSA-N 410.478 1.599 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1767607380 IACYHGDYGLIKSI-UTKZUKDTSA-N 412.494 1.441 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCCCN1CCN(CC)CC1 1767807902 IYINZDVRTSSTBF-UHFFFAOYSA-N 403.575 1.972 30 10 HDEE CS(=O)(=O)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1770330303 GBHNSPSADSMQEV-AWEZNQCLSA-N 414.491 1.590 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1770786530 LBEGFGYADNWINV-IKGGRYGDSA-N 414.441 1.736 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCN(C)C1=O 1848768228 DSNXBIISSIEGAY-SFHVURJKSA-N 405.520 1.720 30 10 HDEE C=CCN(C(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1)[C@H]1CCN(C)C1=O 1850564550 RQRUCYMLYNWMGL-INIZCTEOSA-N 414.535 1.450 30 10 HDEE CCOc1ccc(CN2C[C@@H](C(=O)N=c3nc[nH]cc3C#N)CC2=O)cc1OCC 1852112297 NRQSZCWYBBCULT-HNNXBMFYSA-N 409.446 1.555 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)Nc4c(C#N)c(C)nn4C)cc3C2=O)cc1 1852170710 RPRJQMYXEDHYTQ-UHFFFAOYSA-N 419.445 1.714 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CC(c4nnc5ccccn45)C3)C2=O)cc1 1854263376 SVZMZGHIYUTYFD-SFHVURJKSA-N 400.442 1.832 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3cc(F)cc(F)c3)C2)cc1 1854380035 KJQHQPGKIFSMRP-INIZCTEOSA-N 408.382 1.927 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854456024 CRXCBHIJYHOPSH-KRWDZBQOSA-N 401.488 1.343 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(F)c(Cl)c2)CCN1S(=O)(=O)CC#N 1854787588 QQMNSNRIWDYFCD-LLVKDONJSA-N 401.847 1.324 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1F 1855594295 UQZKIZHLWACYDR-CQSZACIVSA-N 423.466 1.524 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3c2OCCC3)CCN1CCOc1ccc(C#N)cc1 1855928643 LWWRMJNHKHRPRN-HNNXBMFYSA-N 409.446 1.289 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)c3nccnc3N3CCOCC3)C2=O)CC1 1856544663 QUIJBVQRGLGSCE-GOSISDBHSA-N 413.522 1.877 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3cnnn3)C(=O)C23CCCCC3)c(F)c1 1856600205 JYCWRTCDWOAKCK-UHFFFAOYSA-N 411.441 1.258 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1856684469 FZSWSLCWIPYLOD-CRAIPNDOSA-N 418.519 1.873 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(Cc4ccccn4)CC3)C2=O)CC1=O 1856877965 FZXSJGOABYQLIZ-AZUAARDMSA-N 410.518 1.498 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)c2ccccc21 1856964972 JUJGNVZBADKHOH-INIZCTEOSA-N 410.474 1.697 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1857483628 VDIQVGQGNACUPA-CJNGLKHVSA-N 402.520 1.404 30 10 HDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874338074 MPLOWIWYORFAIG-SCDDIDHTSA-N 416.507 1.471 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1OC 1874436294 UVGXFRHADBDUEJ-KEBDBYFISA-N 405.480 1.850 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)[C@H]1OC 1884170049 JUCYEDKXKGPHPO-ILXRZTDVSA-N 420.418 1.390 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1885464378 KWRPPRKDHBOYLY-HXUWFJFHSA-N 406.504 1.730 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4cc(C#N)ccc4F)C3)n2)n1 1890587165 KIKAIFLNJBOEDE-UHFFFAOYSA-N 406.421 1.829 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)c1 1891450882 XKNVZPYCUSAVDX-UHFFFAOYSA-N 424.482 1.723 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC(COc3cccnc3C#N)C2)c(C)c1 1891665747 NEDJPRRYZWXPKW-UHFFFAOYSA-N 400.460 1.920 30 10 HDEE C=C(Cl)[C@@H](O)CS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019012982 VETBCIPYRRRARW-UONOGXRCSA-N 419.883 1.673 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025896567 ZEVMPOCTLPHXOI-WFASDCNBSA-N 421.303 1.593 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2054408891 WQNWGLAVHPHWPH-SJORKVTESA-N 407.492 1.684 30 10 HDEE C#CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074683474 KYLPITKUDKYJGI-SNARRRGMSA-N 408.476 1.031 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCOCC1 2118169747 JOTFJMWCZXSLHR-UHFFFAOYSA-N 421.519 1.837 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2141609902 GRTCJBZZVZIAHI-QRWLVFNGSA-N 422.478 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNS(=O)(=O)CC2(C#N)CCC2)C1 2182451525 UAZSYEZDBLWDMC-KRWDZBQOSA-N 405.492 1.575 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2217455132 BXCKGDNXSWAJCA-HNNXBMFYSA-N 419.331 1.799 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)O[C@@H]2C1 2241296813 DOHOFWYVVSHYHR-ZNMIVQPWSA-N 418.402 1.144 30 10 HDEE C[C@@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2247930745 CYHFFLSNBKMEOR-OAHLLOKOSA-N 422.331 1.888 30 10 HDEE CN(C[C@]1(O)CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2249679764 HANKBGTUDFZLMM-OAQYLSRUSA-N 422.331 1.842 30 10 HDEE C#C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258157634 DMTDOQITRRMJQU-OIISXLGYSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@H]4C[C@H]43)cc2Cl)OC1(C)C 2267352161 BNDATWLKCBXHOE-WDEREUQCSA-N 404.750 1.436 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOCCO3)cc2Cl)OC1(C)C 2267354388 VQSDEYBSVBYHNL-UHFFFAOYSA-N 409.722 1.653 30 10 HDEE CN([C@H]1C[C@@H](O)C1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354851 XCAHJVBYQZNNSM-AOOOYVTPSA-N 407.750 1.845 30 10 HDEE CNC(=O)CCN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282309338 DCRJWMLOGYWNQH-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282317116 MSLSTSRSHOGVOA-CANCMXDXSA-N 401.359 1.340 30 10 HDEE C[C@@H](CC(=O)N(C)C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282336476 DTKSFBJWVROQLZ-NSHDSACASA-N 402.347 1.192 30 10 HDEE CC1(C)CC[C@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282354154 NCIABCMPJNSWDP-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2282407679 AZOJOYKXENEAJC-UHFFFAOYSA-N 423.340 1.655 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282490689 KJRVTIWJQXCARD-ZDUSSCGKSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(F)(CO)C3)ccc2Cl)OC1(C)C 2282491269 LAVACOCQVYONIM-UHFFFAOYSA-N 405.684 1.344 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](N)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282491970 MZXZYOMDWTYZTI-GXFFZTMASA-N 400.375 1.774 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@H](N)C2)OC1(C)C 2282500554 LMRHXXKKPQICNP-AWEZNQCLSA-N 400.375 1.690 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCCC4(CC3)OCCO4)nc2)OC1(C)C 2282620532 GJBYRBJRVDDFFB-OAHLLOKOSA-N 403.288 1.581 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](O)C1 2282825130 HGWABEBYXCJXAN-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282860115 VQRAFAYUMIHZQZ-KBPBESRZSA-N 401.359 1.971 30 10 HDEE CCC1(C(=O)O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284398971 DRWNSYVNKZVYFU-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC(F)F)C(=O)O)OC1(C)C 2284400199 SVAUNXZBXXQGLH-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)C[C@H]3C(=O)O)c2Cl)OC1(C)C 2284423694 WGZGSMHGEUBSMY-SCZZXKLOSA-N 401.677 1.361 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC[C@H](C#N)C1 2296366186 GKZBLWSRLLEAPF-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)C=Cc2ccccc2)C1 2328071935 XIAMBCNGGIYGGC-FXAWDEMLSA-N 417.465 1.802 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H](CS)C(=O)O)C[C@@H](P(C)(C)=O)C1 2344177675 QKAHUPXCUNAKQU-TUAOUCFPSA-N 408.457 1.734 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@@H](O)c2cc(I)nn2C)n1 2363990998 ZIYSGAYMHCBCFA-NOZJJQNGSA-N 402.261 1.456 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC[C@H]1CNC(=O)OC(C)(C)C 2365208012 RCYAJZRYKULOSO-QMTMVMCOSA-N 402.557 1.457 30 10 HDEE CCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@H](O)c1ncc(I)s1 2367316975 YWTIITMRKQJYOV-HMUNZLOLSA-N 404.273 1.655 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2367795483 DZZNYYQOZYNRTN-HOTGVXAUSA-N 400.541 1.429 30 10 HDEE CO[C@H]1COCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2379678379 NZYVZJAAXBEDOW-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE COc1cccc(-c2ccc(=O)n(CCNC(=O)COc3ccccc3C#N)n2)c1 13601575 NWAFMTRADAAFSO-UHFFFAOYSA-N 404.426 1.986 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccn2)[C@H](C#N)C(=O)N3)CC1 72444659 UPBGAISAVHWDNE-DZGCQCFKSA-N 422.445 1.168 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)CCC(=O)O)C2=O)cc1 96567199 SDFZVPYXNSHOLB-HXUWFJFHSA-N 403.435 1.342 30 10 HDEE COC(=O)C1CCN(C(=O)c2oc3c(c2C)/C(=N\NC(=N)N)CC(C)(C)C3)CC1 101109195 NWYCJYANVPPATL-QRVIBDJDSA-N 403.483 1.773 30 10 HDEE N#CCNC(=O)C(=O)Nc1ccc(I)cc1Br 305931599 CGCYBSWPTXZANS-UHFFFAOYSA-N 407.993 1.632 30 10 HDEE Cn1c(N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)c(C#N)c(=O)n(C)c1=O 447198018 CTBWIXJAKVHPEC-SFHVURJKSA-N 417.469 1.508 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 461617264 VMUOVKSMCPJCFG-CVEARBPZSA-N 413.544 1.050 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3ccc(=O)c4ccccc43)C2=O)cc1 489267369 KGQBNXWLUHEDJP-LJQANCHMSA-N 400.438 1.790 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 490976846 WSQBPRUMXFDHED-QFBILLFUSA-N 412.421 1.516 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H]1c1cccnc1 510098898 IWBSEZVNEDEWPX-ONTIZHBOSA-N 403.486 1.838 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)ccn2)CC1 511772233 FSSURCLNSWCCOR-OAQYLSRUSA-N 404.518 1.684 30 10 HDEE Cc1cccc(NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1C 516962891 KOIFKWCMFFBKBS-UHFFFAOYSA-N 404.536 1.883 30 10 HDEE COc1ccnc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n1 517507027 YRYGGKIKTJOFFR-UHFFFAOYSA-N 422.489 1.861 30 10 HDEE N#CCCn1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1 522746059 FYAKGORTRJAGKR-UHFFFAOYSA-N 409.493 1.382 30 10 HDEE Cc1ccc(C(=O)NCc2nccn2CC(F)(F)F)cc1S(=O)(=O)NCC#N 524680133 LQDKHXNZZKYOEP-UHFFFAOYSA-N 415.397 1.486 30 10 HDEE C[C@H](C#N)CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C1CC1 533141824 NEATXCCCTJQXPA-SECBINFHSA-N 406.327 1.940 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2sccc2C#N)CC3)CC1 549697169 ZUTPCTXAVKDRJC-AWEZNQCLSA-N 412.519 1.196 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(Cc3nccn3C(F)F)CC2)nc1 564606844 AAMZFBDEARDXRR-UHFFFAOYSA-N 410.450 1.136 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@H](C)S1(=O)=O 571605871 YBRMJQKHKODESV-RYUDHWBXSA-N 407.883 2.437 30 10 HDEE Cc1nc([C@@H]2CCCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 581520132 ILUPWRUTXRHXOH-INIZCTEOSA-N 403.464 1.672 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCOC)[C@H]1CCOC1 581635861 XVYYKDKCKLNDHG-SFHVURJKSA-N 413.526 1.880 30 10 HDEE COc1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)ccc1C#N 589637597 XUMMNFXMXOJMRF-FQEVSTJZSA-N 418.457 1.906 30 10 HDEE N#Cc1cnc2c(F)ccc(Cl)c2c1N1CCN(CC(=O)N2CCOCC2)CC1 603840936 AEGLBIWOYFIJKM-UHFFFAOYSA-N 417.872 1.880 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609283506 JBPQPTPOIXWCOL-WMLDXEAASA-N 401.536 1.986 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2C(F)(F)F)CC1 611432668 KECJVZUYBRPCLO-IAGOWNOFSA-N 414.403 1.798 30 10 HDEE C#C[C@@]1(O)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 708122637 SXMPCJDYOLOPOC-GFCCVEGCSA-N 409.099 1.970 30 10 HDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1 727415001 GNVOONHWGZKSJI-UHFFFAOYSA-N 423.494 1.538 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727814991 QZUGTTANKGNLQE-UHFFFAOYSA-N 413.524 1.835 30 10 HDEE COC(=O)CSCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732707376 ZDZXOASTCRJFSH-QGZVFWFLSA-N 416.503 1.230 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCN1C1CC1 732708036 KSYFCZIXEKDTGP-SJORKVTESA-N 416.453 1.521 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(COCC2CC2)c1 737304739 BBCNZAPZIOVJQK-HNENSFHCSA-N 412.446 1.194 30 10 HDEE N#CCCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC1CC1 746463483 RTYKXTSTMBZEBU-SXGWCWSVSA-N 416.547 1.757 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 749979993 FQSHIBXJYDOOBV-IBGZPJMESA-N 412.471 1.658 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 753389144 BSRZMKPSHIKBQW-ZDUSSCGKSA-N 406.485 1.711 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 756655517 QJCCJZNTRPBKSN-LLVKDONJSA-N 421.313 1.041 30 10 HDEE CCS(=O)(=O)c1ccc(CCC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 757389347 XXIRNJBZYRGCHE-UHFFFAOYSA-N 420.512 1.931 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 763885235 UEQADSZFMDZAOR-UHFFFAOYSA-N 405.398 1.797 30 10 HDEE CCOC(=O)c1cnc(N2CCN(Cn3cc4c(c(C#N)c3=O)CCC4)CC2)s1 766635747 BJZLTEFOSLIEIF-UHFFFAOYSA-N 413.503 1.622 30 10 HDEE C#CCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 767648962 FPJNVKKQZYWSPI-YBEGLDIGSA-N 418.515 1.724 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(O)(C(=O)OCC)CC2)CCCN1C(=O)OC(C)(C)C 773987678 MXGYGQFEBIABRB-HXUWFJFHSA-N 408.495 1.696 30 10 HDEE C[C@@H](O)C[C@@H]1COCCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 774205993 ICKMZFQITYYKJQ-RHSMWYFYSA-N 413.499 1.901 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 774240577 LIYSJYTYKBTWOC-MSOLQXFVSA-N 406.504 1.495 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 774240582 LIYSJYTYKBTWOC-ZWKOTPCHSA-N 406.504 1.495 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cn(C(C)(C)C)nc1Br 780264656 IOIJJHGNZZHULA-SECBINFHSA-N 401.261 1.958 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 780987776 YUILPGQHZIBOFZ-LPHOPBHVSA-N 405.410 1.115 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnc(C2CCC2)n1C 783170129 IQHIMXYFUREETC-LBPRGKRZSA-N 403.464 1.364 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCCO2 789967160 CIUWIPDNSXWSQB-UHFFFAOYSA-N 414.491 1.936 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790604254 PBGJMQMKPRDVIJ-DNVCBOLYSA-N 415.556 1.859 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1 790843573 FXIGCSCWSHOZSB-UHFFFAOYSA-N 407.467 1.914 30 10 HDEE C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 791184508 MOPWODZLCGKSQH-VLLMXVCQSA-N 413.474 1.472 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 799928003 MXLHYTMYUSSTFH-JFIYKMOQSA-N 408.524 1.885 30 10 HDEE O=C(Cc1c(F)ccc(Br)c1F)NCCN/C(O)=C1/N=CC=CC1=O 800490916 QNSHBCWWNXCCEM-NXVVXOECSA-N 414.206 1.912 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 802393868 ATLCKPKLWZXABM-LJQANCHMSA-N 424.505 1.538 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)[C@H](O)c3ccc(C#N)cc3)C2=O)c(OC)c1 805442302 TXWPTQFKOVZUJR-AZUAARDMSA-N 409.442 1.526 30 10 HDEE Cn1nccc1C1=CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 807109102 AOBZFNDCKKVTLQ-JKSUJKDBSA-N 400.483 1.978 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1cscc1C#N)c1ccc(S(N)(=O)=O)cc1 814612910 UVACTZBMANZHFR-WDEREUQCSA-N 407.473 1.690 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)n1 816991797 XQMPPJWOJJLZTQ-ZWKOTPCHSA-N 408.462 1.703 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 827862552 IVVVZRNYOZXZBM-BEFAXECRSA-N 404.422 1.575 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849579230 ZSXKSSCJKBLSEJ-PWRODBHTSA-N 420.517 1.639 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2cccc(C(=O)O)c2)C1=O 1083892701 UNZGLMCKQCJPKR-UHFFFAOYSA-N 412.387 1.551 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3ccccc3Br)cc2S1(=O)=O 1131343788 QNBQTKPDTXJQMV-ZDUSSCGKSA-N 424.280 1.274 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1134302208 UEADLQDALFDRPZ-FQEVSTJZSA-N 415.421 1.457 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1136109495 BTHBJPQARQEHII-UHFFFAOYSA-N 410.496 1.244 30 10 HDEE C=CC1(CC(=O)NC2CCN(S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1136150673 ZUHREOUKJJAIJU-UHFFFAOYSA-N 401.529 1.340 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1142556040 BFOHLKFCFBWEEE-UHFFFAOYSA-N 408.458 1.893 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1144922421 IPJHQEDMDYXFTM-AWEZNQCLSA-N 402.310 1.894 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)Cc2cc(C#N)cs2)cc1 1157476766 ATEDKVKSDKKMEZ-UHFFFAOYSA-N 420.516 1.905 30 10 HDEE C#Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cc1 1158767810 TUBVSFUVAIVLQC-SFHVURJKSA-N 414.483 1.848 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1159762383 NYXXUQLQYUQQKI-DZGCQCFKSA-N 402.447 1.690 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@H](O)c2cccc(C#N)c2)CC1 1167420641 HSPNFEYWFIELMU-INIZCTEOSA-N 405.442 1.880 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@@H](CNC(=O)C(F)(F)F)C1 1170756118 MYSMBQXSDXKHQY-AWEZNQCLSA-N 407.392 1.677 30 10 HDEE C[S@](=N)(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1177172865 QNUYABDWLXOIGK-HSZRJFAPSA-N 401.286 1.435 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(CC)n2)c1 1181164925 YVYGTEFYMFWLFK-ZBFHGGJFSA-N 402.476 1.112 30 10 HDEE C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1194418357 RDNPBXXQECDHRF-DFBGVHRSSA-N 401.916 1.850 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1212343571 GCXJSIMDCVLTQB-UHFFFAOYSA-N 405.524 1.219 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 1223531455 YHESWBDDMWWATD-SFHVURJKSA-N 401.507 1.838 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccsc3Br)C[C@H]1CS(=O)(=O)C2 1227110534 ZZHKOKFERFAPCZ-GXFFZTMASA-N 404.311 1.590 30 10 HDEE C#CCC1(NC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CCOCC1 1248552117 GNAMNHMYCBFMED-GOSISDBHSA-N 415.490 1.676 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1286311534 IZTNFXCHEACHGF-UHFFFAOYSA-N 407.540 1.331 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286363517 UIVHCRIMCPDMSK-YYWHXJBOSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1286371370 ODNHYGMROWNWAO-UHFFFAOYSA-N 400.464 1.122 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)C)C1 1286469692 WZHPYBFDPXGDON-LJQANCHMSA-N 416.570 1.607 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286607409 GWQFCFICPZVLOW-NRFANRHFSA-N 418.542 1.884 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286760426 LSOIGJXDYLCINT-NRFANRHFSA-N 416.547 1.940 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1288100075 PDIURHJVQGSCLC-KUHUBIRLSA-N 400.462 1.317 30 10 HDEE COc1ccccc1OCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1289202145 ZEAYDFQINSAHFK-XOBRGWDASA-N 416.455 1.878 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H](C)O1 1291279183 JPIQAKSXWQPQJI-GJZGRUSLSA-N 408.466 1.519 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@](C)(O)c1ccccc1 1300229034 QWHUJHZINFGYDX-AUSJPIAWSA-N 401.488 1.637 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300412300 UUXMFXIYMPQTAM-ICSRJNTNSA-N 400.571 1.879 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 1300483821 NXJRXMNBEKTEPK-MRXNPFEDSA-N 408.911 1.946 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300848026 ACRPRKLJWPULIF-STQMWFEESA-N 419.345 1.704 30 10 HDEE COC[C@@H]1CCCN1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1301072303 DGSWQNGDDUQARW-HNNXBMFYSA-N 408.524 1.428 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCC(F)(F)CC1 1301291947 VWTSOLVOMZLMOG-GFCCVEGCSA-N 401.435 1.282 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301514299 IVDVXEGFUSXWNX-CQSZACIVSA-N 416.457 1.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1301557084 MJRPJSWPTSRPQP-KGLIPLIRSA-N 409.537 1.466 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1303086694 ZAEGBDIJXXSGTQ-UHFFFAOYSA-N 400.523 1.925 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3ncc(C)[nH]3)CCOCC2)s1 1304121820 WFAWIIAJFYVBSP-UHFFFAOYSA-N 424.548 1.609 30 10 HDEE CN(C[C@@H](O)CN(C)S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C 1309764319 BQXWVHZETGKUIG-OAHLLOKOSA-N 403.545 1.950 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1314656850 PFWLFUILIJFCCN-LPHOPBHVSA-N 406.506 1.725 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1)[C@H]1CCOC1 1314681888 IODMNGFYDYFQKP-SFHVURJKSA-N 410.478 1.291 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1316345214 OWSZAWXNFXYQOJ-MRXNPFEDSA-N 404.496 1.284 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCC2CCOCC2)cc1 1316533154 FQABFDWYGYTVJA-UHFFFAOYSA-N 410.478 1.482 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCN1C(=O)c2ccccc2C1=O 1351528692 OGAGPPQATLKLII-MRXNPFEDSA-N 414.462 1.986 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358956437 FXBOLLDIFYCIFI-GJZGRUSLSA-N 416.931 1.381 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1358965593 XNLFOTNVSZWHTN-MRXNPFEDSA-N 423.489 1.936 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC[C@H](CO)O1 1358998295 ZCXJTTJBQZLNIX-VQTJNVASSA-N 412.465 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)[C@@H](C)CCC)CC1 1359041437 WNXPRLHDNOILKM-KRWDZBQOSA-N 416.570 1.920 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359126414 ORPPPNQBLMQHTH-QGZVFWFLSA-N 417.514 1.111 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359132006 KRUWCGMTWIZGSN-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1359208050 DNELWLJDOGRMRY-LSDHHAIUSA-N 408.532 1.288 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1359321205 BXKASXIOMCEZPC-MRXNPFEDSA-N 416.526 1.877 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccs1 1359326483 BDTKZTYFACRJQJ-UHFFFAOYSA-N 411.553 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCS(=O)CC1 1359333684 GSGBRHNENVEGSV-UHFFFAOYSA-N 422.576 1.347 30 10 HDEE C=CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@H]1CCS(=O)(=O)C1 1359875960 RKFWLYFVLXVLMM-HNNXBMFYSA-N 405.436 1.050 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1360477793 BGFQUXKGWACVAV-CQSZACIVSA-N 423.564 1.608 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899996 MNGBTEWOVKAWFB-ICSRJNTNSA-N 424.501 1.962 30 10 HDEE C[C@]1(C#N)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 1439704571 ALHUAFXUFCSASP-KSSFIOAISA-N 422.463 1.137 30 10 HDEE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1439786817 GHSZXQAFOTZESB-WDSKDSINSA-N 423.220 1.816 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)co1 1448832142 PAJPRLHXFQLRBU-MRXNPFEDSA-N 422.894 1.895 30 10 HDEE N#Cc1cn(CCNC(=O)c2csc(Cc3ccc(Cl)cc3)n2)c(=O)nc1O 1453840768 GIYOBOSVBCJMKP-UHFFFAOYSA-N 415.862 1.951 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1454101254 CZHNBIRSLBLHCG-CQSZACIVSA-N 415.471 1.257 30 10 HDEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 1461132121 GXOJLVRUOWAGBA-UHFFFAOYSA-N 419.547 1.507 30 10 HDEE C#CCCN(CCOC)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1461785630 UTHSYFAFETXDMW-IAGOWNOFSA-N 408.520 1.596 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1461940479 BKLCEWYPZXGQEY-HNNXBMFYSA-N 406.460 1.734 30 10 HDEE C#CC[C@H](COC)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1461949483 UWUPDUQESLYNLH-CYBMUJFWSA-N 407.264 1.980 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC(c2nccn2C)c2nccn2C)c1 1464105861 VDUPUGFCGCXLPT-UHFFFAOYSA-N 414.491 1.137 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H]2CC[C@H]1C2 1464920742 ASRUFWCLUULIQY-RNHLQPESSA-N 403.479 1.777 30 10 HDEE C#Cc1cccc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1464982556 XKSIIJVPCKUSJZ-UHFFFAOYSA-N 404.414 1.651 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)cc1 1469649370 ZZJXWINZXJWTCS-UHFFFAOYSA-N 414.487 1.380 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)c(C(=O)OC)n2)cc1 1469958959 IXSAGXALJWTIDO-UHFFFAOYSA-N 423.878 1.916 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)nn1 1470584260 NUAOIDHBPIWXGR-UHFFFAOYSA-N 410.525 1.178 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1471536828 TXSQBUHOZZQBQR-QMMMGPOBSA-N 411.705 1.807 30 10 HDEE N#C[C@@]12CN(CC(=O)NCC3(c4ccc(F)cc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1473823936 SNKHTVPMMFBZGH-UWJYYQICSA-N 419.522 1.624 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)C1 1477750063 VNEQQRXOTCXVEP-HXUWFJFHSA-N 412.534 1.626 30 10 HDEE Cn1ccnc1C(NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)c1nccn1C 1478997635 SIWQGUFACUKPPA-MRXNPFEDSA-N 419.493 1.796 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)C1 1502476500 AFMWBYCFECNRPX-MRXNPFEDSA-N 406.512 1.508 30 10 HDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC(=O)N1 1503124609 RMWXPHBRCZJYOI-MSOLQXFVSA-N 410.478 1.543 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1503369056 ZESIRUHQVUQFQN-NRFANRHFSA-N 407.478 1.011 30 10 HDEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505056398 WFWICQSJWSYWNH-QZTJIDSGSA-N 404.515 1.359 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1507520340 YSNJQAVLHVEEAE-DENIHFKCSA-N 418.586 1.416 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC(C)C)C1 1507571039 ZFEYYCJXPDLYEE-SFHVURJKSA-N 403.527 1.834 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507623045 QDJBTRTUFAZXHC-HOTGVXAUSA-N 419.551 1.187 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1507678745 LWRZJFNZERZUAI-OAQYLSRUSA-N 405.543 1.941 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507929982 XCJKVMMIYCGMHX-MRXNPFEDSA-N 409.556 1.884 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCSC1 1508139540 CMKWMVKKMKAKCS-CABCVRRESA-N 400.570 1.715 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508847236 ZJZFJABHTACANG-FCHUYYIVSA-N 408.506 1.940 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1511644238 AQTFCFVMQSMXCP-INIZCTEOSA-N 418.505 1.882 30 10 HDEE CN(CCC1CC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1517280432 FDOFNPRIXAPABI-GWOGKKTRSA-N 400.483 1.892 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1CCCCCO)CC2 1517425651 BULHIZGPZCZAOA-UHFFFAOYSA-N 419.489 1.636 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CCCO)CC3)n2CCCn2cnnn2)c1 1521076450 YVVLTAAWSQOEFB-UHFFFAOYSA-N 421.509 1.882 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC(N3CCCS3(=O)=O)CC2)c(OC)c1 1528813636 BLNSRHDRWCPEJF-UHFFFAOYSA-N 408.520 1.829 30 10 HDEE CS(=O)(=O)CC1(NC(=O)c2cccc(OCc3ccccc3C#N)c2)COC1 1531594156 HYINTPKWYOGBBY-UHFFFAOYSA-N 400.456 1.681 30 10 HDEE CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(C#N)cc2I)nn1 1538009931 SKDIXUJNCUQGFS-UHFFFAOYSA-N 424.202 1.095 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3ccnn3-c3ccc(C#N)cc3)CC2=O)cn1 1538192938 HNTYGAYUQXUWEM-INIZCTEOSA-N 419.445 1.578 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC)C1 1538991777 DKTIBJWJETVPOG-SJORKVTESA-N 405.510 1.721 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(F)(F)F)CC1 1539430938 PCKAUNDFTHTKTH-QGZVFWFLSA-N 401.433 1.636 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1539556270 AKCUPMBBCGBGNV-SUMWQHHRSA-N 406.537 1.381 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1539779114 NOGXXUATUXHOOW-CYBMUJFWSA-N 408.890 1.411 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1540872456 QBXVOCAIEVLZKW-GOSISDBHSA-N 424.484 1.743 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCOC2)C1 1540874196 YALLKVDTUHEAFG-JOCHJYFZSA-N 411.506 1.819 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)n1 1542633153 CVXNPDPJVDOBQE-OAHLLOKOSA-N 407.434 1.400 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1542969431 FRDPXNHXPKIMKB-FQEVSTJZSA-N 414.489 1.941 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@H]1CCCO1 1543309760 ZCRSNKHTDNUTME-LJQANCHMSA-N 411.510 1.766 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1544116856 IQEYMOSKJZPKKP-OAQYLSRUSA-N 406.398 1.944 30 10 HDEE Cc1c(C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)cnn1CCC#N 1545006545 PEHLNQQXBNFWGB-UHFFFAOYSA-N 414.554 1.950 30 10 HDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1555348640 ZGOIKCWKAJDEFF-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE COCC[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555453066 DTAZWCNWGXABEP-CABCVRRESA-N 419.507 1.556 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1555560203 BCBFLVIOBHQKHB-UHFFFAOYSA-N 415.494 1.457 30 10 HDEE O=C(Nc1sc2c(c1C(=O)N[C@@H]1CCN(O)C1=O)CCCC2)c1cccnc1 1556749296 CFMJAKWWXJXZIC-CYBMUJFWSA-N 400.460 1.994 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1557387157 PWEXYYSIZOESDY-QGZVFWFLSA-N 424.457 1.567 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1557484092 NRCGNDMQFGFBQR-UHFFFAOYSA-N 400.869 1.476 30 10 HDEE C[C@H](CC(=O)N1CCC(c2ccn(C)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1558418069 AQFMASVHODDRJZ-CQSZACIVSA-N 415.519 1.643 30 10 HDEE N#Cc1cccc(C2(NC[C@@H](O)CN3C(=O)c4ccccc4C3=O)CCOCC2)c1 1560008309 LACMPLAJKVTRAZ-GOSISDBHSA-N 405.454 1.811 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OCC 1561875881 JKONATIULNAMQW-IBGZPJMESA-N 408.520 1.810 30 10 HDEE C#CC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 1570218938 NVIAFSAVYKPDTK-JTSKRJEESA-N 407.426 1.288 30 10 HDEE Cn1nc(C(=O)N(CCC#N)CCN2CCOCC2)cc1NC(=O)OC(C)(C)C 1583777707 PZHUVWHEPCITPC-UHFFFAOYSA-N 406.487 1.455 30 10 HDEE N#C[C@]12CN(C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]1CS(=O)(=O)C2 1585655918 ZMXHMQLQPWCMNF-SCLBCKFNSA-N 420.878 1.719 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O 1585780332 BBQHFPMCVYBHSW-CHWSQXEVSA-N 405.417 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccco1 1587555776 JSLNXEAGKADDGV-CQSZACIVSA-N 407.434 1.406 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1588011708 IOWJALAMIANMJL-UHFFFAOYSA-N 402.458 1.854 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588053212 BHZXKHJMQMEQAB-IRXDYDNUSA-N 408.524 1.001 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCN(CC)C2)CC1 1588857192 KHUAWNLAUFJVTB-SFHVURJKSA-N 413.595 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cnn(C)c2)CC1 1588955255 TXQKFVLPZKBWAL-UHFFFAOYSA-N 409.538 1.758 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1589449728 NYTRHJBBIJXHSA-OAHLLOKOSA-N 400.277 1.754 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1593799790 DRVWOIICZMJXHV-INIZCTEOSA-N 421.933 1.888 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@](=O)CC)CC1 1594191996 BRHJWEGLYLTUSD-YMXBGEKHSA-N 403.574 1.059 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)nc2)C1 1595714284 NDXHSDSIJJZAEL-GOSISDBHSA-N 422.493 1.862 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCN(C)C2)C1 1595738799 VDNNUPWLBFCNHB-XLIONFOSSA-N 403.552 1.778 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)C1CCCC1 1596789067 FIQGUEWRYJEXEO-GJZGRUSLSA-N 411.576 1.359 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1596842042 SIRSODKEHXBMDC-GOEBONIOSA-N 422.580 1.950 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1612910837 IRELEBRIIRBXCQ-BBRMVZONSA-N 409.450 1.030 30 10 HDEE CC[C@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)OC 1613147304 CKQVCONADCGROO-ATIWLJMLSA-N 407.515 1.792 30 10 HDEE C=C1CC[C@@H]2[C@](C)(COC(=O)C(=O)O)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1\C(=O)OC[C@@H]1O 1615811941 LBWGMBCRIXRVEF-ONGJYCGZSA-N 422.474 1.598 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1618436822 GVLFNQYNRFELER-KBXCAEBGSA-N 406.464 1.758 30 10 HDEE CC1(C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1CCO 1625327359 AEHKUNGKLJQTTH-UHFFFAOYSA-N 421.339 1.672 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1627789853 DQXSIRAQOIFMHM-KRWDZBQOSA-N 415.519 1.924 30 10 HDEE CN1CCN(CC2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1628387200 HJKBOMZVKCWCAW-SFHVURJKSA-N 407.559 1.669 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(CC4CC4)nnc3C2)c1 1628522699 QEXJJGONOOQLTM-UHFFFAOYSA-N 401.492 1.351 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1630492507 WZAFXUCTPHRUIH-UHFFFAOYSA-N 424.542 1.526 30 10 HDEE C#CCO[C@H](C)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1630518424 OXMRVSZVPKTOQD-MRXNPFEDSA-N 409.527 1.779 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCN(C(N)=O)CC2)C1 1631968399 YNZLSBBEDLWKON-UHFFFAOYSA-N 406.284 1.370 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](CCF)C1 1632052183 CYIJKRIDEUOLSS-ZBFHGGJFSA-N 411.499 1.871 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(O)CN1C(=O)C(C)(C)c2ccccc21 1632227369 CUIMIKDVASCFHG-HSZRJFAPSA-N 414.502 1.865 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1 1632885292 VSRVRZIEYZATOP-GFCCVEGCSA-N 414.365 1.255 30 10 HDEE Cc1ccc(I)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1633550664 WZIHTWQRGKWUMM-UHFFFAOYSA-N 424.198 1.164 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 1636660411 AQAALHGCGLZHEF-UHFFFAOYSA-N 418.284 1.982 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1Cn1ccnc1)c1cc[nH]n1 1637271308 NFZXDXJBMOHPHP-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 1639583833 LCPRZFYYDGJRNL-ZFWWWQNUSA-N 417.462 1.562 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)cc1 1640352808 SGYRCLVDYHGTAF-GOSISDBHSA-N 410.455 1.695 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)c(=O)nc1O 1644115723 CCDYTTZCGGCVRQ-UHFFFAOYSA-N 415.475 1.611 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C3CCC(CC3)[C@@H]2C(F)(F)F)CC1 1644285237 LWYRHSAIPHNGCF-WUCCLRPBSA-N 407.458 1.213 30 10 HDEE C=CC1(CC(=O)NCC2(O)CCC3(CC2)OCCO3)CN(C(=O)OC(C)(C)C)C1 1645912208 FXTHHFNGLNDBDE-UHFFFAOYSA-N 410.511 1.964 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1nnc2n1CCN(C)C2=O 1648292602 BKTUMGPGTKUXHT-CQSZACIVSA-N 413.457 1.270 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CC1 1648382955 WIBYFOCEVKSCLL-INIZCTEOSA-N 415.494 1.528 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)C1 1649041941 PEURTUSRQWWSGM-IBGZPJMESA-N 419.459 1.298 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1654691651 YEJJCCJDJQFYNT-SFHVURJKSA-N 419.547 1.912 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)o1 1655097218 HJPLQTUPHRYFHV-ROUUACIJSA-N 411.510 1.238 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1660824403 HOEMKFMWIBSVOR-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE C=CCOc1c(Cl)cc(CNc2[nH]nc3c2c(=O)n(C)c(=O)n3C)cc1OC 1663366405 OVVNNTGCKXUXMM-UHFFFAOYSA-N 405.842 1.799 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1663528078 TXHPWTFXOOJEJL-GOSISDBHSA-N 407.492 1.755 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1664406908 HHBSFEFLJJOUTG-HNNXBMFYSA-N 402.538 1.683 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)C(C)C 1666519408 CYUNEJAJHVRZBV-MRXNPFEDSA-N 409.508 1.886 30 10 HDEE CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 1673199961 GYZARCYNGFSXAD-GOSISDBHSA-N 421.457 1.849 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CC1 1674645633 DBDWYKXUCJICLG-UHFFFAOYSA-N 416.453 1.919 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2OC(C)C)CC1 1676163547 IQMSTSRBMMDWLT-MRXNPFEDSA-N 408.524 1.330 30 10 HDEE CCOC(=O)c1csc(N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)n1 1676736739 DRYUSQFQUBMQES-UHFFFAOYSA-N 407.496 1.472 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1681805568 SXVJYMSOZYVVBY-OOHWJJMZSA-N 421.523 1.224 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1682849374 NGIGFHINTJPJRF-ZWKOTPCHSA-N 405.520 1.101 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1689946090 MPKSQBVQLCEDJK-CQSZACIVSA-N 421.523 1.413 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690075056 BLDVTKUIBDFCPT-OALUTQOASA-N 416.570 1.574 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1690168135 XYQNBCZDTRHSPK-QGZVFWFLSA-N 415.519 1.271 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1conc1COC 1690189829 CTSLKKIYLXVCGK-FZKQIMNGSA-N 422.511 1.063 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690472374 MGTXWEIFABLJAT-XHSDSOJGSA-N 413.544 1.239 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1690506180 FZTBDDHUTMDYNN-UHFFFAOYSA-N 407.540 1.890 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOCC(F)F 1694739337 OENDFSKDBPMKTE-CQSZACIVSA-N 420.468 1.889 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(C)c1 1698061947 ZBGGQONLJOXIPD-INIZCTEOSA-N 423.564 1.965 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(OC)CCOC1 1698134496 DKDDRPKKOZMULR-OXJNMPFZSA-N 407.515 1.938 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1698221942 HJRKTTPOWAQJMR-OAQYLSRUSA-N 410.478 1.339 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ncccc1F 1705574975 URZYFGJAXQBFIP-NRFANRHFSA-N 413.453 1.616 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nnc(C(C)(C)C)s1 1705626247 OEBNZDRZUDAGQK-UHFFFAOYSA-N 414.539 1.962 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cncn1 1705873661 QWHDAVTVZVRDQO-UHFFFAOYSA-N 417.477 1.662 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705902758 MSMJWVTZXZJLTH-HXUWFJFHSA-N 414.897 1.617 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705903608 YUWGJLIHZBMKEJ-INIZCTEOSA-N 402.543 1.931 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705930316 KTOLTCGIIBVZCM-DZGCQCFKSA-N 424.527 1.662 30 10 HDEE CC[S@](=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710917377 GSEGKHCYUOEBAA-NDEPHWFRSA-N 400.508 1.849 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1711275058 AQUVZXFAGARFPF-VQTJNVASSA-N 418.448 1.505 30 10 HDEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1712451843 HPNMLRKVQUEQBY-OAHLLOKOSA-N 412.560 1.366 30 10 HDEE COCCOC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2C(C)(C)C)CCOCC1 1712577654 CCRROFGAMCWHRI-INIZCTEOSA-N 407.515 1.517 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1 1722428101 CELSMNRIARRIRZ-QGZVFWFLSA-N 420.510 1.648 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2=CCCOC2)CC1 1722433500 XJENGAWQJGFHTE-NRFANRHFSA-N 401.511 1.032 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCN(C(C)=O)CC2)CC1 1722569025 KANIOWYZDXPSRB-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC(F)F)CC1 1722696312 IOIGBEZYAGATBL-UHFFFAOYSA-N 420.464 1.643 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1722712090 LGXOIIPRASPYHR-OAHLLOKOSA-N 418.523 1.341 30 10 HDEE C[C@H]1CSCCN1c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726757368 HEFMAUGOPMMKBM-FKEVTRRJSA-N 402.524 1.699 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)cc1OC 1730094088 CAAYPBMMEBEAFN-QGZVFWFLSA-N 412.494 1.787 30 10 HDEE COC[C@@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1730479125 HDSVJNYMYYNNLJ-STQMWFEESA-N 402.496 1.003 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1740558605 UCCZESWMUSKYLY-LSDHHAIUSA-N 403.508 1.533 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1740571274 LTKLDUXJBLHEHZ-QGZVFWFLSA-N 408.510 1.458 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740753248 HDGJGTKQTBTTRG-JYJNAYRXSA-N 400.487 1.100 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740956724 YZDOVCKUSXKTAM-INIZCTEOSA-N 409.494 1.234 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1740959393 TZIQURVJWNOBMK-GOSISDBHSA-N 423.452 1.754 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1C(C)(C)C 1740965687 RLFWOPCDCUPNDF-GOSISDBHSA-N 417.602 1.483 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1741084633 AZMRNRDCGMCUGT-UHFFFAOYSA-N 409.494 1.446 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1748667602 XAVSJQZASCFVDA-DGCWBMGLSA-N 408.462 1.592 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2snnc2C)CC1 1748983568 UBSWEPQKOXDTAO-UHFFFAOYSA-N 414.926 1.957 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749141315 YOUBDSMJLHIZCX-MGPUTAFESA-N 414.510 1.452 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC)C1CC1 1749519677 PJZWPJPBVYCJET-HNNXBMFYSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(CN2CCOCC2)CC1 1749651333 SKNZUCMECOTXDE-QGZVFWFLSA-N 404.559 1.642 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1751099429 BKLGUEFJXGJKQY-YJYMSZOUSA-N 400.508 1.385 30 10 HDEE C#CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1760129469 OMJWBTRDIURLNK-UHFFFAOYSA-N 414.897 1.601 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760135756 HRSPWRMVCXGOBG-CQSZACIVSA-N 423.443 1.987 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)C(C)(C)C 1760178031 WMKOUFNKDXVHAX-UHFFFAOYSA-N 423.564 1.552 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1760258087 PHEHVRJNQMCSDN-HXUWFJFHSA-N 424.597 1.065 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1760258935 UXRQUVPJZZIETA-UHFFFAOYSA-N 410.547 1.688 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760336283 WWHYETKHTBCMHL-FUHWJXTLSA-N 423.583 1.997 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1760445180 CCRIJWBRSRUWIM-UHFFFAOYSA-N 400.483 1.672 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1760530625 WMZXVHJVVRDKBX-JOCHJYFZSA-N 421.505 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)C1 1760543882 UCWNLZGAVSCELP-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCC[C@H](COC)C1 1760553398 BPSBBDUHGHXNGO-INIZCTEOSA-N 420.539 1.589 30 10 HDEE CCCN(C)C[C@H]1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765946100 ZHHWQDNYFLBQAN-OZNQOIHVSA-N 401.515 1.281 30 10 HDEE CN(CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1767373210 SPAZNMADDBJFDI-HUUCEWRRSA-N 406.487 1.725 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1767692260 HVYVMGUCJQRKAC-PDRFFQIWSA-N 424.505 1.448 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CCO1 1767712380 IFXHAIVRYIOUAV-ROUUACIJSA-N 410.478 1.193 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)C1 1770318203 VRPGMIVOLQXEEZ-SFHVURJKSA-N 422.470 1.953 30 10 HDEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1770597132 LHOFVBFTOVHIQK-CZUORRHYSA-N 400.574 1.771 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1771223168 RNEQBYHYLYHKHF-LSDHHAIUSA-N 424.502 1.256 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CCc2ccccc2)nnc1N1CCOCC1 1771564801 VNSVZGDGYVPMSC-MRCUWXFGSA-N 422.489 1.426 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C)C1 1772887306 RAJKKFISOQQHPA-HNNXBMFYSA-N 418.523 1.371 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)CCCC)cc1)[C@@H]1CCN(C)C1=O 1848781467 HXKITBCBOUUKDN-GOSISDBHSA-N 407.536 1.966 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)OCC#Cc1ncc(C(F)(F)F)cc1Cl 1852915628 CWRUQYQJHKQBHB-ZDUSSCGKSA-N 424.784 1.252 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)n1 1853198724 QFMAZPDJSJDDJT-UHFFFAOYSA-N 403.446 1.919 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)C1 1854287579 YJZAANJONMBBJV-TZMCWYRMSA-N 414.359 1.824 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccn3c2)C(=O)C12CCCC2 1854425500 YJMMOBPNHBVLNW-UHFFFAOYSA-N 400.460 1.390 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637397 QPMQVYBKZVPPME-OAHLLOKOSA-N 413.455 1.385 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2=O)CC1 1854638726 SSLZSDQULWALLV-IRXDYDNUSA-N 407.511 1.792 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1C[C@H](CN2CCC(C#N)CC2)CC1=O 1855868134 WVQZIAGVGBWUME-IRXDYDNUSA-N 404.511 1.997 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)C1 1856387014 UKDXLWAGYCWXGP-YPMHNXCESA-N 414.359 1.682 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCC(N4CCCC4=O)CC3)C2=O)cc1 1856536015 GTSIMCBNJPVESO-HXUWFJFHSA-N 408.502 1.705 30 10 HDEE Cn1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C3(CCCC3)C2=O)nn1 1856608585 JMDKVNRCGQYBPL-UHFFFAOYSA-N 406.446 1.167 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CC[C@H](N(C)c4ncccn4)C3)C2=O)cc1C#N 1857148608 CWXKBRSEXXBDMC-OALUTQOASA-N 404.474 1.609 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C2)CC1 1857205546 LCXFCHBEMLPUCF-IEBWSBKVSA-N 412.490 1.864 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cn2ccc3ccccc32)C1)[C@H]1CCN(C)C1=O 1857274640 QAUCKEADZDHOGL-XLIONFOSSA-N 408.502 1.735 30 10 HDEE CCc1cc(O)nc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859427976 DDYKAJJCLOVOHC-INIZCTEOSA-N 419.489 1.630 30 10 HDEE N#Cc1cccc(C(=O)Nc2nc(N3CCCCC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1870049289 UJQRVGUIWFKQBQ-MRXNPFEDSA-N 414.491 1.752 30 10 HDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(C)CC1 1870494851 XXIWOPBIQNWIFD-UHFFFAOYSA-N 402.539 1.419 30 10 HDEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871517923 JOIHXCHTIBACPQ-UHFFFAOYSA-N 421.461 1.964 30 10 HDEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(CCOCCO)CC3=O)sc2C)cc1 1872795936 FEDKMYKNHINJNO-UHFFFAOYSA-N 416.503 1.598 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890106326 UHVXYMBPDZCAQS-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1986145737 XJDZXQDCWBEHPZ-PGRDOPGGSA-N 414.506 1.595 30 10 HDEE C[C@H](C#N)S(=O)(=O)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2054405395 KRKUQMCVNSQKAD-WBVHZDCISA-N 407.492 1.778 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118153966 DPZVJSMOOPOICO-ZJWNCGCPSA-N 408.546 1.431 30 10 HDEE C=CCn1ncc(NCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC)c(Cl)c1=O 2162298846 FDAYKDIHYSCGRM-NSHDSACASA-N 400.863 1.951 30 10 HDEE C#CCN(C(=O)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180116764 DRBVMQNOIXBNJG-AWEZNQCLSA-N 400.541 1.965 30 10 HDEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)NCS(C)(=O)=O 2203124265 HHDCEDLIPONBOY-NSHDSACASA-N 402.347 1.752 30 10 HDEE Cc1cc(C#CCN)c(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2221873638 DRACDCUVMNDYKL-UHFFFAOYSA-N 417.512 1.082 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2234662112 LJIYHKNPHXVRSZ-UONOGXRCSA-N 405.492 1.574 30 10 HDEE CC1(C)OB(c2ccc(CN3CCO[C@@H](CS(C)(=O)=O)C3)s2)OC1(C)C 2235402539 MAIFKYQHABYZRJ-CYBMUJFWSA-N 401.359 1.293 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2243389679 WRDJBAVXSAAKFU-STQMWFEESA-N 406.292 1.115 30 10 HDEE Cc1nc(C(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2243390471 WESLYHNGTCPJNP-UHFFFAOYSA-N 415.324 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429671 GNZUSWJCAXTBGZ-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2245257566 CNXZLSYWEWQIKD-MATWNZDUSA-N 408.304 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2247823076 LANKPCDYRWAQPB-ZIAGYGMSSA-N 418.303 1.543 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247856746 MXHLVHPGOCRYGN-UHFFFAOYSA-N 419.287 1.662 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)nn1 2248403424 GEMJVSASLLRICZ-UHFFFAOYSA-N 421.307 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248404009 JOVFHAPWYXYWNI-NRFANRHFSA-N 422.331 1.890 30 10 HDEE CCSC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267470156 GLAHCPQTPYNNLH-UHFFFAOYSA-N 404.388 1.709 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2270531797 OWHBDDARMIZDQP-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE CC1(C)OC[C@@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@H]1O 2281937103 VSZGZXORNOTUDR-ZWNOBZJWSA-N 401.721 1.969 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCCCN 2282053729 XAMWTJQFGBYTHG-AREMUKBSSA-N 401.363 1.728 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCCNC(=O)C3)cc2Cl)OC1(C)C 2282318088 YDYXDKQCWRVUFE-UHFFFAOYSA-N 420.749 1.211 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](CCN)C2)OC1(C)C 2282332868 HJWQEYUCALCDRG-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333488 PIHRJQUQQCUBHK-DOMZBBRYSA-N 401.359 1.377 30 10 HDEE CC1(C)C[C@H](N)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343297 DHFCPNFECWLPMM-CYBMUJFWSA-N 400.375 1.938 30 10 HDEE CCN(C1CCNCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353281 URLBYWDJFKCORS-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C=C(CS(=O)(=O)N[C@@]12CCC[C@@H]1CS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282493518 UJUZFJMJXWXYDH-CZUORRHYSA-N 405.347 1.061 30 10 HDEE C[C@@H]1CNCC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282497736 UMDXOARHOBRNRL-STQMWFEESA-N 400.375 1.714 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499964 GYYGESAGTQGYIL-OLZOCXBDSA-N 418.415 1.170 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCS[C@H](CO)C1 2282835138 PTBVTXWYOQEXOU-LBPRGKRZSA-N 419.399 1.454 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840815 PUUHNUNFSSJPPD-STQMWFEESA-N 401.359 1.938 30 10 HDEE C[C@@H]1CCNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282843959 VLDFDFHEOOAAQP-ZYHUDNBSSA-N 420.793 1.977 30 10 HDEE C[C@H]1CNC[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854334 QHGONIYRDPTREW-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282869593 FGSGGKSIKILYAP-CYBMUJFWSA-N 401.359 1.810 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)O 2284413316 JGVYZYZYJOBXGY-ZJUUUORDSA-N 403.331 1.743 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)O[C@@H]2C1 2289384692 GZLMHKVDDVUHED-WUHRBBMRSA-N 402.513 1.679 30 10 HDEE C#CC(CO)(CO)NC(=O)c1cc(Cl)c(I)cc1OC 2290357355 RRXKEPNUAFVQRU-UHFFFAOYSA-N 409.607 1.040 30 10 HDEE Cc1cc(CNS(=O)(=O)C2CC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2295337471 KGLXCYNXGHWLRR-UHFFFAOYSA-N 423.340 1.619 30 10 HDEE C[C@H](C#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2302380693 OJQIBALDHCTDTA-CYBMUJFWSA-N 416.287 1.631 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N=c2[nH]n(C)nc2Br)C1 2303357720 ZPYXLYDDLDZYHN-UHFFFAOYSA-N 400.277 1.799 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2NCCN2CCCS2(=O)=O)OC1(C)C 2364909279 GZXDJTIJAYQMDK-UHFFFAOYSA-N 401.725 1.482 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367790761 VXGSYSDCTRMDLK-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CC1(NC(=O)OC(C)(C)C)CCOCC1 2367794961 KEZSDUPWYKJTRM-HNNXBMFYSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@H](N)C#CC2(S(C)(=O)=O)CC2)OCC1(C)C 2367800558 KTXCKUGYRKVVKG-CABCVRRESA-N 400.541 1.699 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367804057 PGBOYROYFZGRCZ-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2367827297 GONSTQBFUHDNDW-QMTMVMCOSA-N 400.541 1.163 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(C)c2=O)c(C)n1-c1ccc2c(c1)OCO2 11275167 UTNIBGWBGUNXSQ-UHFFFAOYSA-N 406.398 1.438 30 10 HDEE N#Cc1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3)CC2)ccc1Cl 65974738 VGUFJAPQRSHYLB-UHFFFAOYSA-N 418.906 1.839 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCC(C)C)[C@@H]1CCS(=O)(=O)C1 111192274 KEGDCZNKPVMXLY-MRXNPFEDSA-N 405.520 1.133 30 10 HDEE N#Cc1cc(I)c(OCc2nnc(NN)s2)c([N+](=O)[O-])c1 159697478 XBUJDYBSYWMXQP-UHFFFAOYSA-N 418.176 1.787 30 10 HDEE Cc1cc(NS(=O)(=O)CCS(C)(=O)=O)cc(B2OC(C)(C)C(C)(C)O2)c1 404840854 ADYAQSHQFJUMCB-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCc3ccnc(O)c3C2)n1 426553205 OJWIFOMOFOBLQN-UHFFFAOYSA-N 422.832 2.021 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 434463906 VSBLJODVYAFHOC-HOCLYGCPSA-N 423.560 1.786 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCn3c(O)nnc3C2)nnc1-c1ccco1 438463719 XAPYBKJNNKLUPZ-UHFFFAOYSA-N 401.452 1.546 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)n(C)n1 446928132 DXSCAEZKKYKUQT-GOSISDBHSA-N 408.510 1.496 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCN1Cc1ccccc1 476230270 YWARMOCNANJLFB-WOJBJXKFSA-N 411.506 1.186 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)n1 477033622 GILXUGRTZLZDKH-UHFFFAOYSA-N 421.478 1.635 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)O)c1 485813401 KWKMXQXYKVNPRZ-MRXNPFEDSA-N 420.462 1.963 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)ccc1F 488797109 QTMUKVFPCLQUFW-UHFFFAOYSA-N 424.435 1.814 30 10 HDEE Cc1ccncc1N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 500648559 CICHWSZESAHDNM-INIZCTEOSA-N 413.503 1.277 30 10 HDEE CNS(=O)(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s1 505747235 HWELBFQIVSGTQS-INIZCTEOSA-N 401.510 1.534 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 506199481 PZLOIEZBCDFCNJ-JOCHJYFZSA-N 420.554 1.841 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508481030 MQWKQTROQPOIDD-FQEVSTJZSA-N 411.554 1.757 30 10 HDEE Cc1nn(CCS(=O)(=O)c2cccc(C#N)c2)c(C)c1S(=O)(=O)NC(C)(C)C 513815852 CDASAKHLMBQARD-UHFFFAOYSA-N 424.548 1.922 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)CC2(C#N)CCCC2)CC1 545362302 LJHNNLATMQJTMR-UHFFFAOYSA-N 404.536 1.858 30 10 HDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 546567885 PGMGZMJVVAUDPK-SFHVURJKSA-N 417.487 1.896 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC2CCN(Cc3ccc(C#N)cc3)CC2)C1 562062234 NACDSLMSZJZUOL-HXUWFJFHSA-N 405.568 1.383 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)C(C)C 567483638 LOFPBRJAAWASMO-FQEVSTJZSA-N 422.551 1.689 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 571815488 LCTAPTWNXZDLCO-OAHLLOKOSA-N 407.492 1.417 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603800613 XEWLBZVTZAACGW-CYBMUJFWSA-N 403.529 1.178 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1occc1COc1cccc(C#N)c1 609517897 DJIXCWDQAHKRQP-QGZVFWFLSA-N 410.430 1.197 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CCN2C1=O 610626776 FQCUSRWVPXVIKI-KRWDZBQOSA-N 411.462 1.208 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(c2nc(B3OC(C)(C)C(C)(C)O3)cnc2N)C1 694980473 SBHXWLKEMMWZIO-LBPRGKRZSA-N 405.308 1.461 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2c(Cl)nc3sccn23)CC1 728579000 FZAKMCBCGZJWLS-UHFFFAOYSA-N 408.896 1.827 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)cc1 731128907 LTBZRLLRUWBLQX-UHFFFAOYSA-N 411.380 1.697 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 734293246 PIUKNGJTUWEEHA-AWEZNQCLSA-N 401.419 1.864 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C1CC1 753987287 FYPHCFBILIGZRZ-ORAYPTAESA-N 404.492 1.439 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCNC(=O)C(C)C)C1=O 755562579 GUADGKOLFQROMV-MRXNPFEDSA-N 415.519 1.788 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCc2nc3ccccc3oc2=O)C1 757587843 BTHRJAUGOWQTTE-BBRMVZONSA-N 412.446 1.996 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)/C=C\c2cc3c(cc2OCC)C[C@H](C)O3)CC1 758663618 QSSHGABNTBRWNR-TUYSUELWSA-N 413.518 1.868 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 760301768 YASNXCZFRLIKBB-LSDHHAIUSA-N 421.498 1.697 30 10 HDEE CN1C(=O)N(CC(=O)OC2(C#N)CN(C(=O)OC(C)(C)C)C2)C(=O)C12CCCCC2 774232825 YDMKSURPIZSQRG-UHFFFAOYSA-N 420.466 1.640 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 775445519 PREAIIGTDMMWOY-MRXNPFEDSA-N 417.510 1.922 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC(=O)NCc1cccs1 780176406 NIIONLYMYYROGE-SFHVURJKSA-N 409.464 1.879 30 10 HDEE C[C@H](OC(=O)c1c(N)cccc1I)C(=O)N(C)CCC#N 780279906 BFJDGMXTHZFXIE-VIFPVBQESA-N 401.204 1.791 30 10 HDEE COc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1 780948212 CMUGROPXCYTVBE-SFHVURJKSA-N 401.444 1.680 30 10 HDEE C=CC[C@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790257646 OYNGJRZLHXPBLO-LJQANCHMSA-N 415.556 1.826 30 10 HDEE N#Cc1ccc(COC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1F 791381243 PWGDALNTFUUPES-CQSZACIVSA-N 417.418 1.441 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)[C@@H]1c1cncn1C 796087251 DPBSDEFAAGOFGK-QFIXIFRTSA-N 417.510 1.707 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(Cl)c(Cl)cc1F 799254636 BLQOGLACYGSYLW-BUHFOSPRSA-N 415.208 1.714 30 10 HDEE COc1cccc(C=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1OC 824205789 KNWDCXJHBKMYNK-MRXNPFEDSA-N 412.508 1.726 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 1127600738 CJZCXZVATFSHNA-JSGCOSHPSA-N 405.398 1.938 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1OC 1133908192 XDTZOJHNXVFEMT-CLFYSBASSA-N 416.521 1.447 30 10 HDEE CON=CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202309 DINSOOUGTWARMV-HUUCEWRRSA-N 409.487 1.013 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1144429202 OHLMLKJAKWHEBI-FBMGVBCBSA-N 420.853 1.549 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ns[nH]c2=O)CC1 1144758680 KZUSYGBBQRPGBB-GFCCVEGCSA-N 408.281 1.617 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)c(Cl)c1 1156039236 HEZQUJBHYVQPFN-UHFFFAOYSA-N 424.848 1.754 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)cc1 1156458526 NWFQTSFADUEHFZ-BHIYHBOVSA-N 424.519 1.186 30 10 HDEE COC(=O)[C@H](CC(C)(C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1163077313 FIWVMMXGSRBNKO-HOTGVXAUSA-N 414.462 1.857 30 10 HDEE Cn1cnc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1Br 1179247650 SQWXFQROOYDGBG-CYBMUJFWSA-N 416.279 1.766 30 10 HDEE N#C[C@@]12CN(c3ncnc(C(F)(F)F)c3Br)C[C@H]1CS(=O)(=O)C2 1187709689 YNZRKELOQLWMBN-CPCISQLKSA-N 411.203 1.632 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1194504801 FJSCDPPLOQXPPF-NRFANRHFSA-N 403.548 1.400 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1215127716 UPSCKCGPBDOOFP-UHFFFAOYSA-N 421.567 1.089 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1286301042 GPCHOGRBWIRSED-HNNXBMFYSA-N 401.492 1.621 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@]1(O)CCOC1 1286372936 AHTGHAADTZKPLE-NRFANRHFSA-N 419.526 1.613 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@H]1C 1286461920 ZRNTVHFNBPTBMW-IAGOWNOFSA-N 412.494 1.684 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CC(OCC)C2)CC1 1286482257 NZNZCMKRBCOXPG-UHFFFAOYSA-N 415.563 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(C)(C)C)C1 1286819900 ZBYOGERNAZZONU-GJZGRUSLSA-N 409.556 1.702 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1288724842 DPTSWIWOOQRJGC-AWEZNQCLSA-N 418.523 1.164 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2)c(F)c1 1289397798 LEUHHKSLBLUOQI-QFBILLFUSA-N 405.495 1.949 30 10 HDEE N#Cc1c(CCCNC(=O)C2CN([C@H]3CCOC3)C2)nn(-c2ccc(F)cc2)c1N 1290813183 YVTDKZKNUVVVIW-KRWDZBQOSA-N 412.469 1.235 30 10 HDEE C[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291133306 NPCXKQPWENFFBS-MCYOWCNASA-N 400.483 1.687 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1298785179 GXRWJYDCYHMXAN-MEUCICPISA-N 423.477 1.482 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300482859 HQEQBTMMOAIDJF-SJLPKXTDSA-N 402.520 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1300537366 FXASPVOJQQMHPK-GBESFXJTSA-N 417.579 1.373 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnn(C)c1 1300664426 BPCZPYKJGUQJIS-UHFFFAOYSA-N 408.462 1.584 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)OCC)CC1 1300721905 COMOVFSZKWZACU-INIZCTEOSA-N 416.526 1.010 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1300742547 MUEVMRIXXRKWNV-UHFFFAOYSA-N 403.508 1.508 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1300778498 XQXHBUNPIMEZQN-ZOBUZTSGSA-N 407.540 1.035 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1300972301 LCNXGZBJBRSWDD-QLFBSQMISA-N 401.533 1.095 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1 1301625826 UUYXCJXOQAMOGQ-UHFFFAOYSA-N 403.442 1.957 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1301969601 ZGTKPGDTXNTBDQ-ARFHVFGLSA-N 410.544 1.192 30 10 HDEE COCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1302227416 DUAJVDRAQZLLKA-INIZCTEOSA-N 410.478 1.829 30 10 HDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)N(C)C 1304835444 GEVFPICHZLUNIO-LJQANCHMSA-N 416.551 1.809 30 10 HDEE Cc1nc(C#N)cc(N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)n1 1307097642 BQFXRQRKELIVRB-INIZCTEOSA-N 400.483 1.705 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)CCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1308127750 HFUKGSNITCCCKL-QFBILLFUSA-N 410.561 1.628 30 10 HDEE C[C@@H]1CCCN(Cc2csc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)n2)C1 1310033173 CROYUFXFODONAD-GFCCVEGCSA-N 417.495 1.331 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 1311108938 AQLLHUXVVVTOPM-HNNXBMFYSA-N 424.475 1.153 30 10 HDEE CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1313760196 FPFKCCQWOBHIIL-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE O=C(NCc1nc(C(F)(F)F)n[nH]1)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1324154512 RDOLAPRBMAVTAV-UHFFFAOYSA-N 422.236 1.899 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1339064388 CLPQZINLRMVZBJ-UNQMGURYSA-N 420.491 1.031 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1358894935 ZQLUVBCANFCVEE-HIFRSBDPSA-N 407.565 1.917 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1snnc1C 1359018847 DPJYFUYAOVVYMW-GOSISDBHSA-N 406.512 1.224 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1CCn1cc(Br)cn1 1359026219 ORTPBEAYNUXNCC-UHFFFAOYSA-N 407.316 1.976 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO2)CC1 1359031101 PYZXGIJXLXHMBX-NQIIRXRSSA-N 403.527 1.253 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NC(C)C)CC1 1359038598 BSVXLSYXSLHOAX-UHFFFAOYSA-N 414.485 1.276 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCS(=O)(=O)C1 1359063135 HWCZDZVRPLHRJY-MGPUTAFESA-N 421.567 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1359071830 FCMXDIAOOFBRJN-DHIUTWEWSA-N 409.534 1.936 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)N(C)C)CC1 1359180275 YVFBCZYRWNKBRG-UHFFFAOYSA-N 404.540 1.558 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359331387 XBFQMEBOKMWYEV-WMLDXEAASA-N 418.523 1.340 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359331467 AFHHTLXIDZQYLH-CVEARBPZSA-N 407.540 1.251 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1360247666 DTQWBKJIGUBHKM-SCLBCKFNSA-N 404.496 1.114 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C(=O)N(C)Cc3ccccc32)ccc1F 1437814497 KDIPNYQROKIBSH-SFHVURJKSA-N 417.462 1.733 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(Br)c3ccccc23)C1=O 1438063066 LSBVZWUZOIINRS-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1444719795 CKHMKUQMMOJLTC-PZROIBLQSA-N 414.890 1.517 30 10 HDEE C=CC[C@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1447547748 DECLVZPZZYBSJT-HJFSHJIFSA-N 416.540 1.759 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1=O 1452499146 OEGYTVHFKCCOJJ-CEMLEFRQSA-N 423.561 1.928 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC1 1455115868 SYYQTRKJOCLJKE-UHFFFAOYSA-N 407.492 1.780 30 10 HDEE C#CCN(CC(=O)NCCCc1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C 1457008764 HUIWQVBJMUSJHO-UHFFFAOYSA-N 409.508 1.253 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(Cc1c(C#N)cccc1[N+](=O)[O-])S2(=O)=O 1459069260 BYGVTILWBQIUTA-UHFFFAOYSA-N 403.372 1.828 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1460223787 VNHWGMPKDLRUTF-IMJJTQAJSA-N 404.463 1.915 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 1460544912 RQCFDBDTWKQCFX-XMSQKQJNSA-N 415.490 1.723 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1B1OC(C)(C)C(C)(C)O1 1465292951 DUJHWXGPDSFDBD-QFBILLFUSA-N 401.360 1.658 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1467382618 LFTQSOUZJUNPBE-NSHDSACASA-N 404.398 1.691 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](N4CCOCC4)C3)ccc2c1=O 1468180342 AHOCNPRMVYWXQH-INIZCTEOSA-N 414.531 1.808 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)CN3CCCCC3)C2)C1 1469181528 DRHVJXUDXKAIIN-RKQJOMJXSA-N 420.554 1.736 30 10 HDEE C#CCN1CCC(C(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1469860733 AARRACOZWXBDLN-SFHVURJKSA-N 417.550 1.513 30 10 HDEE C#C[C@H](NC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)c1ccc(Br)cc1 1470663079 KLVNQEWQMDODSJ-HOTGVXAUSA-N 420.307 1.796 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1 1471929929 VGGGUOCBDVHIDH-NVALYEJGSA-N 406.504 1.301 30 10 HDEE C=C(CCN(C)C)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1471944232 LJBZXIZMVPLMJS-INIZCTEOSA-N 409.527 1.943 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)n(Cc2ccc(F)cc2)c1C 1473491559 XQGLOZKQGDUXLE-HDICACEKSA-N 423.448 1.307 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1473704985 QOVIBEZVCRZQCK-HUUCEWRRSA-N 414.549 1.313 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1503708677 MVJUHLXYIPAKOS-LHSJRXKWSA-N 409.494 1.113 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C1CC1 1507522056 ANKHHVCMRFAUQR-HOTGVXAUSA-N 405.510 1.861 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F 1507653321 MSYGOHAJNAJLBT-KRWDZBQOSA-N 400.479 1.635 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507846304 HSXHPYJJZARRHC-HXUWFJFHSA-N 416.551 1.943 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1507917025 XNULOUMPBKQCKO-CQSZACIVSA-N 400.570 1.351 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507980052 AOEDFWCHTXDXFT-GOSISDBHSA-N 424.553 1.437 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2nccnc2C)CC1 1508132035 UIJKDLPWDPQWKJ-UHFFFAOYSA-N 419.555 1.427 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)c1 1511197113 HCCPBFHBFBRGNM-UHFFFAOYSA-N 424.505 1.764 30 10 HDEE C[C@@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1512544611 DXPYNXSWPKXSKG-QGZVFWFLSA-N 415.542 1.365 30 10 HDEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1514568143 FFVYSIXIUCWVMY-INIZCTEOSA-N 402.524 1.944 30 10 HDEE Cn1cnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CCCO)CC2)n1 1517401078 AVRGHXDPSNHASN-UHFFFAOYSA-N 406.494 1.982 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1517776266 BNGQILJUKQJOPK-HHXXYDBFSA-N 424.505 1.821 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1521062668 HAGPAENJXQGXIH-BEFAXECRSA-N 421.473 1.885 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)cc1 1531719664 SLMJQAXPJWIUIK-LJQANCHMSA-N 402.454 1.726 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[S@@](=O)CC)CC1 1539451910 FAVHPCHQSAZRND-LJAQVGFWSA-N 421.517 1.671 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(C)nn2C)CC1 1539475354 CRSAUHSOAOGHBK-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1539744055 CISVDTVTVVCYGZ-KRWDZBQOSA-N 412.494 1.557 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1540641206 KCGICAUVAYZPEW-ZDUSSCGKSA-N 415.537 1.579 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1541086662 CFNDLWRLHVQYET-CQSZACIVSA-N 418.523 1.212 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1541116744 USFNWNYYNIKOPX-JLTOFOAXSA-N 404.465 1.810 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCCCN2CCOCC2)n1 1543006401 LZLICVSDHRRMKJ-GOSISDBHSA-N 414.558 1.991 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1545928707 HWFIYGLMJPRMEA-SJLPKXTDSA-N 417.558 1.657 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1547862039 WNCPNZOGHVWQLA-IWMITWMQSA-N 416.526 1.537 30 10 HDEE COc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1554905864 GRKMOZKBPWULLY-INIZCTEOSA-N 411.441 1.798 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557737524 JHFJPYXRCILBEC-UHFFFAOYSA-N 402.480 1.006 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)c2ccccc2C(F)(F)F)CC1 1558073605 WMKDMTCRMJQTFR-YPKPFQOOSA-N 415.437 1.721 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1 1563413061 FKPASCSEQNYKGD-CTNGQTDRSA-N 400.523 1.465 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)nn1 1564958099 HEVODXHUZAXRGQ-OAHLLOKOSA-N 408.384 1.866 30 10 HDEE CN(C)CCCOc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1565769922 VSHSOHPUKYMCLA-UHFFFAOYSA-N 416.503 1.806 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1566306364 JAQFTRWBHXGFSX-IBGZPJMESA-N 403.460 1.529 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1567287663 FPJASZCACDOONQ-UHFFFAOYSA-N 413.499 1.364 30 10 HDEE C#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)OC(C)(C)C 1567387534 CARZFDUZOGKCKC-CABCVRRESA-N 406.483 1.732 30 10 HDEE CNC(=O)N[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1567390728 ZYFIQKNMJCKDNV-CQSZACIVSA-N 406.284 1.287 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(=O)NCCN1CCCCC1 1569057469 SLBDNAIXRGSRDS-INIZCTEOSA-N 409.531 1.292 30 10 HDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1585217907 FMHCIHCMCQGXQO-WMZOPIPTSA-N 407.426 1.517 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1587501046 OYAPONMFIUDLCX-GOSISDBHSA-N 402.520 1.354 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC 1588155762 XYFZWMBUCOYMLI-UHFFFAOYSA-N 410.503 1.024 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1588162246 PAJMLKXLDXUDTQ-UHFFFAOYSA-N 415.519 1.096 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ncnn1-c1ccccc1 1588228994 OOUWUIVKXIBJDJ-SFHVURJKSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1588229127 RFICMGJICLVGRQ-AWEZNQCLSA-N 400.451 1.272 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1588388256 ZLMWLAHVOIGUGY-BBWFWOEESA-N 409.556 1.507 30 10 HDEE C=CCN(C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597170696 NFSSNHLKMMZNPQ-DOMZBBRYSA-N 410.496 1.403 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc2ncc(Br)cn2n1 1598065261 CFQJYUWEIAMFKU-UHFFFAOYSA-N 407.272 1.180 30 10 HDEE CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1611159315 KQOLNZPFMFPOHE-UWJYYQICSA-N 417.531 1.815 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2CC[C@@H](C2)N1 1614684791 CHPIWQUYORCTTJ-FHWLQOOXSA-N 400.328 1.854 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615842607 GWTDTDRDWWPUFL-QUCCMNQESA-N 424.553 1.019 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCOC)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1616675015 IDJRXQUUXIPCRU-HNNXBMFYSA-N 421.523 1.352 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccc(C)o1 1618839580 ATEYKNDFMCUYQU-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)CCO1 1620354900 DPFKNZYWRIOVJP-GVDBMIGSSA-N 423.539 1.258 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)n1cnc2c(N)ncnc21 1623494393 HXOITHVNEDHFRM-XJKSGUPXSA-N 408.441 1.518 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1625387355 LLAYPEWTKORHHU-PBHICJAKSA-N 406.280 1.478 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1629261343 HWTCBOXTTIFHCV-UHFFFAOYSA-N 419.547 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCC(=O)NC1=O 1631007210 DWHYVVXEXLLQLP-RDJZCZTQSA-N 412.446 1.314 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1632624295 QXYMFJPXMJXVDV-QGZVFWFLSA-N 422.570 1.600 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H](CO)Cc2cnc[nH]2)nnc1-c1ccco1 1632657578 OZMYDUBOOSSTBP-AWEZNQCLSA-N 402.480 1.649 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)C1CCOCC1 1632739805 RUVGDQHQNZHKOB-GJZGRUSLSA-N 405.476 1.368 30 10 HDEE N#C[C@H](CO)NC(=O)Cc1ccc(I)c(Br)c1 1636605345 QVOYHNBBSSZKLE-MRVPVSSYSA-N 409.021 1.597 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCO2 1638368486 VZZIPIPLCGDALX-BATSVXPKSA-N 413.478 1.286 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1643543459 SJOIPDDGEBTDOK-WMLDXEAASA-N 411.480 1.581 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](n2cc(C#N)c(=O)c3cc([N+](=O)[O-])ccc32)C1=O 1643694642 UQEMTNATVQFCHJ-MRXNPFEDSA-N 412.402 1.896 30 10 HDEE C[C@@]1(C(F)F)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1643905456 PVOXJAVWBHDNSO-XLIONFOSSA-N 410.440 1.891 30 10 HDEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788385 RKPMDXFGQXEORN-UHFFFAOYSA-N 411.480 1.402 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1645270652 LZRXALPJCSFQJZ-ZIFCJYIRSA-N 419.547 1.312 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(N2CCCC2=O)C1 1645428081 CKABZRVNQKHBAW-UHFFFAOYSA-N 418.519 1.119 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 1648586362 KINAGCCKBMVSGJ-HNNXBMFYSA-N 412.533 1.196 30 10 HDEE Cn1c(=O)c2cc(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)n(C)c2n(C)c1=O 1651211511 AQIVDMPXSIFKSG-UHFFFAOYSA-N 411.245 1.914 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1656482369 HWJGKPKQXCTHBI-UHFFFAOYSA-N 406.529 1.689 30 10 HDEE C=CCN(Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 1659057621 PQKFTAKIQIYCFM-HNNXBMFYSA-N 414.487 1.381 30 10 HDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1670762281 DMCVLPXRDOZTKD-FZMZJTMJSA-N 423.413 1.776 30 10 HDEE C[C@H](C#N)CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1680000590 RQXRNXVBAHJBSN-SNVBAGLBSA-N 400.224 1.072 30 10 HDEE Cc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(N2CCCC2)n1 1680908254 GATLHYCUEKOXNQ-LPHOPBHVSA-N 403.508 1.070 30 10 HDEE N#C[C@H]1CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CCN1Cc1ccccc1 1683793891 ZPCUYDACTRNSJE-KUNJGFBQSA-N 402.442 1.717 30 10 HDEE C#CCN(C(=O)CCCOCC=C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1689679702 LWFCXEZUYVXKKR-JRHPMUGDSA-N 400.519 1.845 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1689966109 LAXSRFSUZZMNSH-CQSZACIVSA-N 408.911 1.960 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(C)(=O)=O 1690004826 HQLVIXUSODJGSX-UHFFFAOYSA-N 408.487 1.453 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCC(F)F 1690015434 MPGUNGCOHRMAMJ-UHFFFAOYSA-N 412.400 1.948 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690254517 CEOMBYQLMHLHEQ-HZMVEIRTSA-N 410.540 1.734 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCN(C)C2)CC1 1690395034 VUIOAQFXGSEXSB-NRFANRHFSA-N 411.510 1.394 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CC1 1690411471 MVJIQXOKPMORSO-QGZVFWFLSA-N 424.567 1.514 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1690484628 AJNBDDMSGLRWHT-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1690513706 GOLPUIBPYZUZAD-UHFFFAOYSA-N 419.489 1.907 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1696996485 WNRMDERCTWNRTD-KRWDZBQOSA-N 412.494 1.728 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1698484813 VYPIXXMJDYDYGI-KXBFYZLASA-N 406.462 1.257 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705516932 LMXWGSUBYKDBOP-QZTJIDSGSA-N 421.567 1.590 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC=CCO2)CC1 1705631834 AVWBLTBNYHZRPK-KRWDZBQOSA-N 407.478 1.026 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705661815 JOCLVGCRDNJESU-QAPCUYQASA-N 410.565 1.163 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705693195 CTGYCGMMSROSNO-PMPSAXMXSA-N 404.515 1.099 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)CC1 1705694233 POWKJGFFQZXQTR-JKSUJKDBSA-N 404.515 1.099 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705724727 KWFKDCJNRFINHH-GOSISDBHSA-N 408.506 1.697 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1705819435 LFNHPJBVLYWOKS-CQSZACIVSA-N 419.498 1.813 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC)CC1 1705905742 FJPWQZJLYYPQNI-UHFFFAOYSA-N 404.496 1.121 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705908099 HUENRUZFEAFXIR-UHFFFAOYSA-N 419.917 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)S[C@H](C)C1 1705932101 LHGCJCMEODLPDX-OKILXGFUSA-N 408.553 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccn1 1705935848 FDZPHMYKSDCGJP-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1706789210 HWIAHXXISQWMFR-MRXNPFEDSA-N 420.525 1.222 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1710450805 UACYWKPOVXSXOA-SFTDATJTSA-N 419.526 1.866 30 10 HDEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1711017211 FFGUWPVLFGEUTE-UHFFFAOYSA-N 411.510 1.344 30 10 HDEE COC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1)OC 1712156133 AFUMQUMDNXFNLN-IRXDYDNUSA-N 401.467 1.268 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1722291341 IWXMDTCMHHOSDH-QFBILLFUSA-N 403.490 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1722291813 FGPZGJCURQXUFW-MSOLQXFVSA-N 406.527 1.842 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722333440 KOGUSTDYZGVDOI-RBUKOAKNSA-N 414.554 1.676 30 10 HDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1722386143 WNJKQXKNUJWKKM-HXUWFJFHSA-N 410.543 1.961 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722459725 PRORNZRTSWHZSN-INIZCTEOSA-N 415.519 1.704 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)C(=O)C1 1722589771 WYVZMLLNOACPOU-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CCS(C)(=O)=O)cc1 1722704346 GXXUZPHMWOGCQE-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1722868158 AIGMOOJDCOQMQY-MSOLQXFVSA-N 417.558 1.353 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1727106105 YTWGJBYVLLALGN-INIZCTEOSA-N 413.526 1.951 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1728675708 FZIWEVGBIIAJKM-UHFFFAOYSA-N 424.509 1.147 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1740615711 JOLWCRIDYIOWGV-HNNXBMFYSA-N 423.583 1.365 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1740627846 STYPMPATKIXUPI-OAHLLOKOSA-N 419.555 1.163 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1740639564 TZYSRMPBZLFIDY-IBGZPJMESA-N 424.549 1.337 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1740659359 XZCBLRYSUPHZJS-UHFFFAOYSA-N 413.522 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CC(=O)N(C)C 1740680892 REEUHHRIJDGAPX-UHFFFAOYSA-N 420.311 1.882 30 10 HDEE C=C(Br)Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740749632 AUQYYYZBARHAKD-MRXNPFEDSA-N 414.304 1.164 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@@H]2C1 1740881031 UWYRYLVUCZUQAK-GOSISDBHSA-N 402.543 1.781 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1742835456 LARZVXMLULDUFI-GOSISDBHSA-N 409.494 1.289 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H]1C 1746443493 NIJRXFFCBMEGBD-MRXNPFEDSA-N 406.498 1.424 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748359489 GUAARLCXZORNGF-SFHVURJKSA-N 412.494 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1748672412 UFKJYEAWFLXISX-OLZOCXBDSA-N 423.461 1.411 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1748751113 CBGOUPBAGPILLQ-ROUUACIJSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1748784274 HVOVQZBPBQBIAI-INIZCTEOSA-N 424.505 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCN1CCCS1(=O)=O 1748837822 NZHJHGCMTRRIEC-UHFFFAOYSA-N 417.922 1.707 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1 1748843456 FHLLWGDPVBIOBR-IBGZPJMESA-N 404.474 1.503 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1748922664 HQBQPKPVHCMLIU-OAHLLOKOSA-N 401.467 1.661 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1749354697 XDIDXIOGXYWSJX-ZIAGYGMSSA-N 412.560 1.158 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749609244 IYGXVNWMZNNRBW-DOTOQJQBSA-N 415.519 1.592 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1749671660 GKGOXLVWNIGSJC-HXUWFJFHSA-N 400.458 1.012 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749727452 UXQKBWTYSJRRQR-INIZCTEOSA-N 417.535 1.638 30 10 HDEE COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749843160 BOGZVYSFVHOCTK-GOSISDBHSA-N 409.494 1.069 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1(O)CC1 1752281495 ODOFGOFHKQXXCE-OAHLLOKOSA-N 410.526 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1760114406 LWHJEPVRSXITNW-YJBOKZPZSA-N 408.506 1.632 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)c1occc1C 1760165483 UISQNLHLCWKCRH-NRFANRHFSA-N 415.494 1.721 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCC(=O)N(C)C)CC1 1760262325 LUGSQBKZIYICPB-UHFFFAOYSA-N 412.513 1.632 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 1760281336 QJLFYLPJNJCRCG-UONOGXRCSA-N 418.548 1.630 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760327495 HTMNZKMOPUJQIS-NUJGCVRESA-N 412.556 1.809 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760335210 MJRIINNQYAHVKY-OIISXLGYSA-N 400.483 1.206 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760358939 CHHIVRWATYUXRI-GOSISDBHSA-N 416.526 1.590 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1760450696 PTDWMMFGKBIPOA-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC)[C@@H](C)C1 1760519604 JHIZJKFHYLBAIQ-HNNXBMFYSA-N 412.494 1.506 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1760524736 HMPURLAVLZPUEZ-UHFFFAOYSA-N 412.542 1.691 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760527261 QKFTWRWYCPGBKJ-DLBZAZTESA-N 411.462 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C)cs2)C1 1760549697 KPSBCHQJKDQFGT-HNNXBMFYSA-N 402.524 1.995 30 10 HDEE C[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1761570018 DWTHQCVWOSPFRS-VBKZILBWSA-N 419.432 1.681 30 10 HDEE CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1764719115 BOQAFMXWFOYMRG-KRWDZBQOSA-N 402.524 1.630 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1767485420 VYCGDZFHOQTSEW-PXNSSMCTSA-N 405.499 1.476 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCn2cc(CO)nn2)cc1 1769974512 HUGKNSUGFHOABF-OAHLLOKOSA-N 410.482 1.866 30 10 HDEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)CC1 1771534344 XVKQBRJAWJDVOL-UHFFFAOYSA-N 419.392 1.975 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1772842515 IJNOAUYAUHAWPL-CYBMUJFWSA-N 421.461 1.749 30 10 HDEE C[C@@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)n1nc(C2CC2)ccc1=O 1850181053 RWLBYIRDRLETJA-HNNXBMFYSA-N 406.490 1.981 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)Cc3ccc4c(c3)NC(=O)CO4)CC2)nc1 1851817609 ZUJACHOQXVYZFS-UHFFFAOYSA-N 421.457 1.192 30 10 HDEE O=C(Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)NCC#CCN1CCCC1 1852326682 BNYKBSYSAJCABD-UHFFFAOYSA-N 407.449 1.518 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)COCc3nc4ccccc4[nH]3)CC2)nc1 1852508669 UIJCLSDMXFRTTM-UHFFFAOYSA-N 420.473 1.712 30 10 HDEE N#CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)nc1 1852806224 QIUUDQFOCXIWKM-LJQANCHMSA-N 404.474 1.496 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CCC(=O)N(CCCC)[C@@H]1c1ccccc1 1853085221 LANHNQHTFHUOHW-AZUAARDMSA-N 404.532 1.931 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1853648761 STHHDFNMWBWZEX-GOSISDBHSA-N 403.504 1.589 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cn(C)nc2C(F)F)C1=O 1853828460 MNYAMJBRDOEJPQ-KBPBESRZSA-N 409.437 1.208 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C(=O)C1 1853955085 OMALAXRGJMDOQG-ZDUSSCGKSA-N 411.430 1.743 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)C[C@H]3C3CCOCC3)C2=O)cc1C#N 1854217607 FXCSSGSUQYZJQP-RTWAWAEBSA-N 410.518 1.650 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1854286976 LFTCSJAYIJVYCM-UONOGXRCSA-N 414.453 1.994 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1854312807 OQIPVDRPCYULDC-AEFFLSMTSA-N 405.520 1.475 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)c4ccno4)C3=O)CC2)n1 1854439041 GVKARRKNEXWETC-QGZVFWFLSA-N 409.446 1.863 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1854997394 YIWSHBBRGZESCJ-MSOLQXFVSA-N 403.523 1.287 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C(=O)C1 1856404171 KEBACYYSRUMKRG-INIZCTEOSA-N 408.462 1.058 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1Cc1ccn(C)c(=O)c1 1856404280 CGBNAHDYKTZKEO-AWEZNQCLSA-N 412.877 1.978 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3cc(C4CC4)on3)C2)C1 1856411088 XKBRQMHMUOALBI-ZDUSSCGKSA-N 407.430 1.571 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCN(CCCC#N)C2(CCCC2)C1=O 1856528037 QZJCONHOETXONL-UHFFFAOYSA-N 403.504 1.991 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 1856664314 LPLGCIQRWCPDSC-CRAIPNDOSA-N 418.519 1.230 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)C2)C1 1856831881 IGGQUGVWAKHGJX-QGZVFWFLSA-N 417.506 1.647 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@H](CN4CCC(CC#N)CC4)CCC3=O)nc2n1 1856956457 JJAQDUXHVQKRJV-KRWDZBQOSA-N 409.494 1.746 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnoc2C(C)C)C1)[C@H]1CCN(C)C1=O 1857074432 JDPFEGVSXLCATH-WBVHZDCISA-N 402.495 1.896 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1858321703 WDKHPJOFCBJHDS-MRXNPFEDSA-N 413.455 1.522 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)CCCSC)n([C@H]2CCS(=O)(=O)C2)n1 1870004712 IPQLPLUUCJCHFN-AWEZNQCLSA-N 413.569 1.898 30 10 HDEE C[C@@H](NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O)c1ccccc1 1870102868 PJGCTNJIWYHUMJ-OAHLLOKOSA-N 413.441 1.785 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cc(C4CC4)[nH]n3)CC2)CC1 1889435336 OMHYAGWPNJVMPS-UHFFFAOYSA-N 413.566 1.938 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1891330628 GAQZWIZAPMDBJO-UHFFFAOYSA-N 419.441 1.933 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1897671541 CJENYGVWBUJTNB-SOUVJXGZSA-N 424.498 1.328 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C 1957265769 NBSVPNPLDFYCJX-HXUWFJFHSA-N 405.336 1.847 30 10 HDEE C=C[C@]1(O)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074497060 AOUPLAZOOMERJA-MOPGFXCFSA-N 410.467 1.354 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174789275 OQYYVXYBRWLJKO-HNNXBMFYSA-N 400.545 1.493 30 10 HDEE CCC[C@@H](C#N)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174820117 UKSXGMBNNADTGI-PGGUUEOZSA-N 401.533 1.865 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2181019674 SKBLBYYZINPJNU-ILXRZTDVSA-N 402.513 1.237 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NS(=O)(=O)N1CC[C@@H](C#N)C1)C2 2193308144 GPGPMCRUWRBDIP-SBJFKYEJSA-N 402.492 1.545 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)c3cnc(Br)cn3)nc2)OC1(C)C 2229004433 SDGUGSDRWDQUQA-UHFFFAOYSA-N 406.049 1.581 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2243425326 JHTDUQZTFUSKSN-ZDUSSCGKSA-N 407.320 1.967 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2247920083 VEAYWCPQNUCMLO-UHFFFAOYSA-N 420.319 1.551 30 10 HDEE C#CC(CO)(CO)NC(=O)c1cc(Br)cc(NC(=O)OC(C)(C)C)c1 2261453946 OWKNXNAUJILUAD-UHFFFAOYSA-N 413.268 1.883 30 10 HDEE C=CCCC1([C@@H](N)CS(=O)(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 2281053791 QYIBBDSIFPPLAC-HNNXBMFYSA-N 403.545 1.179 30 10 HDEE CCOC[C@@H](O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315052 JAUMLSGEFFGQEB-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE CN([C@H]1CCCNCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282331642 QBOPNVPBKHWUDE-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC(C)CN(CC(N)=O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282417328 BJPDJJREJZKJKL-UHFFFAOYSA-N 402.347 1.179 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CO)CC2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282426206 ZJOQNQZKVUBPIR-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE CN(C1CC(N)C1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282510533 ZUNPFPHVRCGPIZ-UHFFFAOYSA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCS(C)(=O)=O)c1C 2282559185 NQAJYSBRKPJYLA-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CNC(=O)[C@@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834599 WRRLBUJMJWBBMH-SNVBAGLBSA-N 402.347 1.111 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H](N)C2)OC1(C)C 2282844193 ZNUWHTXOZUUVHF-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1OC 2282849211 XUBPNKQZUBGBNY-VXGBXAGGSA-N 403.331 1.082 30 10 HDEE C[C@H]1C[C@@]1(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399143 GSUYVWNOKSPIJR-QFYYESIMSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CCCNCCC3)c2)OC1(C)C 2284500325 PTVOKFJBPBNOJZ-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE COC[C@]1(C)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284698468 XKEKYZGHUDETKX-PXAZEXFGSA-N 401.359 1.998 30 10 HDEE CCc1csc(C#C[C@H](N)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363981292 QMAYDFGNURNLQQ-ZFWWWQNUSA-N 413.565 1.809 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2365204114 XAIFXZJKHQCPNI-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2365206636 HWIPKAMWOQUZPC-PMPSAXMXSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367811852 MRMNPSONYFFPBW-VKJFTORMSA-N 400.541 1.292 30 10 HDEE CO[C@H](C#C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369630339 AZFNFFZGLFCRGT-GVDBMIGSSA-N 401.525 1.494 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)c3ccc(OC)cc3)cc2C1=O 9701927 QXXLXQXYDIYVBR-UHFFFAOYSA-N 422.393 1.591 30 10 HDEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(=O)[nH]n3)nc12 12289346 QXGYVINZZYXVPK-UHFFFAOYSA-N 401.386 1.945 30 10 HDEE C=CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCO3 13795163 USTMOTXRGSSLJC-AKDSAVJFSA-N 423.516 1.859 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc(C#N)cc2)cn1C 15861107 QVUYCCVVMBRZRR-UHFFFAOYSA-N 404.448 1.333 30 10 HDEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)NCc1ccco1 21320228 BCDAHLWBBKZRGM-IFRROFPPSA-N 421.870 1.798 30 10 HDEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1ccc(F)cc1F 22694584 GFQZBYXHEOHQRM-UHFFFAOYSA-O 422.477 1.819 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H]2Sc3ccc(Cl)cc3NC2=O)CC1 32826605 RHXLZJCAFBMWSS-INIZCTEOSA-N 422.938 1.589 30 10 HDEE Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c(=O)c1C#N 33048853 CJFXIRNBHNSNJB-MRXNPFEDSA-N 408.458 1.884 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](CC)C(=O)O)C2=O)cc1 96567176 XFMCUEJEXKVGNH-FOIQADDNSA-N 403.435 1.388 30 10 HDEE CC1(C)OB(c2cnc(N(CC3CCN(CCN)CC3)C3CC3)nc2)OC1(C)C 204876635 QMKNQYPNVLRJDH-UHFFFAOYSA-N 401.364 1.415 30 10 HDEE N#CCC(=O)NCc1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219741373 LALFPQWCYGWMRW-UHFFFAOYSA-N 421.369 1.359 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)N2CCOCC2)OC1(C)C 404949546 UUFUEVHBPVJJQE-UHFFFAOYSA-N 402.709 1.628 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)ccn2)cc1 435996996 BAUSXETUJMZTBR-UHFFFAOYSA-N 418.475 1.489 30 10 HDEE C[C@H](C(=O)N(CCC#N)CCN1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 438059921 PAGGWIQMXHRJBH-KRWDZBQOSA-N 422.551 1.115 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 439246226 LCSMJNVQROHYGO-MOPGFXCFSA-N 409.490 1.043 30 10 HDEE C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 479135074 HNHBMEBVWSEDLY-UHFFFAOYSA-N 412.493 1.351 30 10 HDEE Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cc1C#N 489123195 NUPGCKPSWWDCAC-UHFFFAOYSA-N 414.896 1.172 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 500922686 YKOVQYXZSPZNDZ-HNNXBMFYSA-N 422.526 1.592 30 10 HDEE COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 503641812 FYXLPWMTCZZOHH-MRXNPFEDSA-N 418.881 1.538 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 508825465 FITOIMBLCDYLOL-HNNXBMFYSA-N 419.448 1.643 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)ccc1F 513453447 WDHNLCIPLZPVGI-INIZCTEOSA-N 415.512 1.712 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 532753040 HIFRJTAVQRLSCO-PSCUFVCCSA-N 424.553 1.805 30 10 HDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)s1 536904964 LAAPMTOEYGMDPU-LBPRGKRZSA-N 405.567 1.543 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 545991643 QJSFQMDJVZSCNX-AZUAARDMSA-N 418.490 1.995 30 10 HDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@H]1C(=O)NCC(=O)NCC#N 553428393 CYQSATZVTBJWJW-AWEZNQCLSA-N 424.910 1.155 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 555243092 GGLXQTVBPCNONN-MRXNPFEDSA-N 404.540 1.791 30 10 HDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 555269518 YMOIFGKDEJGCRX-UHFFFAOYSA-N 422.533 1.681 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)C2)nc1 557472306 KBUNQKRILQOPQY-NRFANRHFSA-N 405.502 1.751 30 10 HDEE CC(=O)N1CCCN(c2ccc(F)cc2NS(=O)(=O)c2cncc(C#N)c2)CC1 571729193 WMYVFUISOBFPNJ-UHFFFAOYSA-N 417.466 1.952 30 10 HDEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)c(OC)c1OC 577183146 QHKUAQAMOHNGFM-UHFFFAOYSA-N 421.475 1.684 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 581897154 PQYHPGDLOCLPCK-DLBZAZTESA-N 404.515 1.524 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)c(F)c1 586792788 GXFHAEHDCDVGCF-LJQANCHMSA-N 414.481 1.810 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 609459949 QXDDBTWYYSMWBQ-OAGGEKHMSA-N 407.467 1.746 30 10 HDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1F 610915233 ZYXCGZFSCGVOPZ-UHFFFAOYSA-N 401.416 1.686 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 618812733 HPRXXLZDHOTHOJ-UHFFFAOYSA-N 414.491 1.220 30 10 HDEE C#CCNC(=O)COC(=O)[C@@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730305403 ZQHMMQDQQBSCCK-HNNXBMFYSA-N 424.906 1.692 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCN1C1CC1 732649049 ODJKRCPMMABXNU-AZUAARDMSA-N 416.547 1.427 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCN(CC)CC2)nc1C 742253173 WHTCBQGPZNRPBI-UHFFFAOYSA-N 407.569 1.761 30 10 HDEE C[C@@]1(c2ccccc2F)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552893 UCUCIQMGTHVFDR-NRFANRHFSA-N 408.437 1.639 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(N2CCOC2=O)cc1 766975970 BLWZWRPFXGIKIB-UHFFFAOYSA-N 401.400 1.642 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 774195775 MPQRMQSIQIGAFY-QZTJIDSGSA-N 419.503 1.136 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)[C@@H]1CCCO1 775330200 PTKKREGRSZEDKS-BZSNNMDCSA-N 422.503 1.013 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CCN1C1CC1 782687123 NFSDMDPWGPQGBN-LLVKDONJSA-N 405.252 1.592 30 10 HDEE COC(=O)CCN1CCC(=NNc2ccc(S(=O)(=O)NC3CCCC3)cn2)CC1 788712371 RJTWFGVYOFTMRU-UHFFFAOYSA-N 423.539 1.729 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC12CN(C(=O)OC(C)(C)C)C2 789374952 MYCJTIUAMURZEX-AWEZNQCLSA-N 405.476 1.929 30 10 HDEE Cn1ncc(-c2csc(=NC3CC3)n2N=Cc2ccc(S(C)(=O)=O)cc2)n1 789968536 PMEYHNJUFPGWHE-UHFFFAOYSA-N 402.505 1.694 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]2C[C@H]21 796697153 NYZLDIGUWJZJKZ-OAGGEKHMSA-N 405.476 1.902 30 10 HDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1)c1cn2c(n1)CCCC2 807969139 LRFYWHCGKBTBHG-UHFFFAOYSA-N 416.551 1.992 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 809896784 RWNAXMVXQMBWKO-OAHLLOKOSA-N 422.530 1.735 30 10 HDEE C#CCN(C)c1cnc(-c2noc(CN3C(=O)NC4(CCC(C)CC4)C3=O)n2)cn1 813341153 PMRRYLLYEQCHIG-UHFFFAOYSA-N 409.450 1.597 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849584954 ZPRPHKUKQFPWEL-PCCBWWKXSA-N 420.517 1.244 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCCc2nnnn2-c2ccccc2)cc1 919316344 WNABKQZDIIWCTD-UHFFFAOYSA-N 411.443 1.235 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 1129262568 CDNOFFAMHGOZMZ-ROUUACIJSA-N 404.478 1.855 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 1135982849 NXLIREBIYCECEH-INIZCTEOSA-N 401.829 1.996 30 10 HDEE Cc1cc(C)n2ccc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2n1 1136149403 JOTOZNFSSONXAJ-UHFFFAOYSA-N 423.498 1.970 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCS2(=O)=O)c1 1141803069 DYQCUPVZLUPHLS-DNQHLSNTSA-N 413.521 1.405 30 10 HDEE CN(CC1=CCCOC1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1146424332 LTZGXLQYUJANSC-UHFFFAOYSA-N 403.504 1.764 30 10 HDEE N#Cc1cn(CCNC(=O)c2cnn(-c3ccccc3)c2C(F)F)c(=O)nc1O 1148392772 HZNMSTLGGSDKHS-UHFFFAOYSA-N 400.345 1.374 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)c1 1167730657 KPXMZKKAHVKSDG-LJQANCHMSA-N 413.499 1.773 30 10 HDEE N#Cc1ccc([C@@H](O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1171785190 BGFLKKYWNSUTES-FQEVSTJZSA-N 400.504 1.244 30 10 HDEE N#CC1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1180610922 ZKECTKSDLZEEGW-UHFFFAOYSA-N 418.519 1.722 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1184169209 WOBSOSSDEXPWLO-VQTJNVASSA-N 420.469 1.702 30 10 HDEE N#CCCN1CCN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CC1 1215660239 DRXOWHCJJWFBTB-OAHLLOKOSA-N 406.512 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1286398167 UTXCFADTCDMMSR-QGZVFWFLSA-N 414.473 1.457 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1F 1286409262 JIMKOMPRAIZVEK-QGZVFWFLSA-N 400.479 1.749 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCC1 1286418995 KYLUNQLTQNGBAH-UHFFFAOYSA-N 405.506 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N(C)C 1286428311 LYOANYSBTCECPK-UHFFFAOYSA-N 417.510 1.362 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286482046 MCNLWUZJDLVHTO-NRFANRHFSA-N 421.549 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)C(C)C)CC1 1286495310 YJBXRIVZGHCHKS-LJQANCHMSA-N 416.570 1.478 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1286525023 HUQFPYLGQFABMT-DYESRHJHSA-N 401.511 1.413 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286542203 RNOVJHQXEOGIFK-RDBSUJKOSA-N 410.316 1.653 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(C)=O)CC1 1286555583 KXFPDMNEJCWDPV-LNLFQRSKSA-N 403.527 1.868 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286594211 FYBXGKRWKGREBJ-MRXNPFEDSA-N 400.508 1.716 30 10 HDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1286605018 QWBFENAODIXAEL-UHFFFAOYSA-N 423.315 1.955 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCN1CCN(C(C)=O)CC1 1286766089 MIVJLUVGJXTRMO-UHFFFAOYSA-N 416.526 1.649 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1F 1286786716 XYPLUBUXQDCWJF-MRXNPFEDSA-N 400.458 1.697 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCOC2)C1 1286799259 UNXPNHZYHSRVBK-OXJNMPFZSA-N 407.515 1.129 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1286819427 KAYVIMXYCAWXRS-INIZCTEOSA-N 410.540 1.926 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H]1c1nncn1C 1286820236 HVAHHLKBPCEHSJ-HNNXBMFYSA-N 421.571 1.938 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286835989 DPWDVYOLDIBNMN-CVYDXHPNSA-N 421.567 1.636 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1288537059 AUPMCQFWFACMND-LLVKDONJSA-N 423.399 1.195 30 10 HDEE C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1288630004 DFOXDNRZKLZYHG-SPLOXXLWSA-N 424.484 1.584 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1289909486 MNJAGFKDVVCJRJ-UDJKBAMHSA-N 423.477 1.400 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1290863212 BZGXUJOOOVMXTJ-UHFFFAOYSA-N 402.462 1.327 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1291653933 OMGZUIRATIIYII-UHFFFAOYSA-N 404.470 1.606 30 10 HDEE C#Cc1ccc(CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1298092460 IDFKXVSNDOOBDE-KRWDZBQOSA-N 406.504 1.708 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1300321394 LQJNMNJSCABQMF-YJYMSZOUSA-N 400.508 1.206 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1300513641 YEDIAIYTNSFKOB-NRFANRHFSA-N 411.510 1.153 30 10 HDEE COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)CCC2 1300529048 LWOUIYUUFQZTLZ-OAHLLOKOSA-N 410.430 1.234 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC1CCS(=O)(=O)CC1 1300545444 QBKZBAYHDCHURL-UHFFFAOYSA-N 410.543 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1300579294 SUOMPTNGDMRBSO-KRWDZBQOSA-N 413.503 1.095 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1300603085 WYYGMBYIHFLOGR-HOTGVXAUSA-N 419.555 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2OCC[C@H]2C)CC1 1300719593 HVNJCPPHAYHMHW-VQIMIIECSA-N 410.522 1.674 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1300875342 SZHWROYUZQYPNH-IBGZPJMESA-N 412.877 1.963 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1301059370 YRZWFKTWVFWXPF-UHFFFAOYSA-N 401.515 1.926 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301222898 IUJHJAGVVASCEO-ZBFHGGJFSA-N 422.555 1.187 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1301239210 KZKOXJPTHQVUHY-CQSZACIVSA-N 401.533 1.096 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC[C@@H](C)C1 1301422666 SIOLBRDSXKQSTI-SQNIBIBYSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@H](C)C1 1301483452 OSRJILCWUUZQKM-GFCCVEGCSA-N 423.315 1.953 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(C)C)C(=O)C1 1301509472 HUJBLANWZRTAMT-UHFFFAOYSA-N 424.549 1.670 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCOCC1 1301587580 VRYNMBLGYRDSLU-UHFFFAOYSA-N 404.536 1.891 30 10 HDEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1301597413 QNJKDPPNXFNVOR-QGZVFWFLSA-N 417.535 1.824 30 10 HDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1305803745 DDGPBHMYEPXCBI-ARFHVFGLSA-N 411.576 1.501 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnccc1OC 1306193585 HCALVKLSWRHIDA-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)C2)cc1 1310865874 DSRSKAQPYRCYJV-UHFFFAOYSA-N 404.473 1.781 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1312950219 IYNCDPMRDHTJQL-UHFFFAOYSA-N 403.888 1.872 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)CC1 1316536005 KATNKQRNDMTHET-IRXDYDNUSA-N 405.524 1.655 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(S(C)(=O)=O)CCOCC2)cc1 1350628354 IOKNOLWHTTTWLT-UHFFFAOYSA-N 416.521 1.025 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 1358179558 QYJRYNAJRUQUTF-LJQANCHMSA-N 421.472 1.977 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCSC1 1358996150 UFMCBPJBJKRBEK-JOCHJYFZSA-N 420.542 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N(C)C 1359021665 WNQQLVLRXYSFGA-UHFFFAOYSA-N 401.467 1.137 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1359075645 ALVUUNJMFMCDJR-UHFFFAOYSA-N 415.336 1.676 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOCC1 1359304703 GTSWRIDXEYCSTC-UHFFFAOYSA-N 401.467 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359329602 OJTBOOIHFJOVGD-HNNXBMFYSA-N 403.508 1.213 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1436173000 YDCTXWXAKBEAPU-OXQOHEQNSA-N 403.552 1.898 30 10 HDEE CN(CCc1ccc2c(c1)OCO2)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1439290966 NTMGTZSCBZIHMJ-UHFFFAOYSA-N 415.471 1.922 30 10 HDEE C[C@@H](Cc1cccc(Br)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1442609180 GVPMVRDPCSWYBD-NSHDSACASA-N 405.252 1.721 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1443160418 LJTZVLQAWKWEAP-UHFFFAOYSA-N 423.469 1.917 30 10 HDEE Cc1cccc2c1NC(=O)N(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)S2(=O)=O 1459209270 LSVLZAQAIYOGLU-OAHLLOKOSA-N 419.507 1.224 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H]3CCNC(=O)[C@H]32)CC1 1460697492 ZKVROHYMMXLUEJ-DSKINZAPSA-N 413.497 1.135 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1465507035 XNBFUZPQRVHURZ-KBPBESRZSA-N 402.517 1.114 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccccc2F)c1 1465932951 CBVADHJYXLITFF-UHFFFAOYSA-N 402.447 1.783 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)c1 1468956779 XHAFTILJUJLIFH-JOCHJYFZSA-N 424.478 1.848 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC/C=C/CNC(=O)OC(C)(C)C)n1 1470373903 VYDZHYZFFKEIDK-BQYQJAHWSA-N 405.499 1.755 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CCO[C@@H](C#N)C3)c3nccn32)C1 1471474778 MTAAEXWZZWUOJR-KBPBESRZSA-N 402.455 1.208 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 1471893762 OEYCRVFJNOQEPX-KKSFZXQISA-N 401.463 1.776 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1=O 1473528658 YFZHFLZXRLKTOE-SJORKVTESA-N 404.515 1.727 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CCO[C@@](C)(C#N)C1 1473837062 IUZHZKHAFNYRPJ-SFHVURJKSA-N 423.311 1.769 30 10 HDEE Cc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492802013 CZTDWFIUCDSGMY-VRTBNJGNSA-N 400.483 1.366 30 10 HDEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1497445744 AUBAGIBIONMNOB-CRAIPNDOSA-N 409.556 1.861 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1499660812 PYDPWCKTOURBDT-CHWSQXEVSA-N 408.484 1.016 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H](C)O1 1499699771 HACYFBWRYPISIA-PBHICJAKSA-N 403.508 1.865 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CCC1 1502400565 IEQQSLBFNXXZBP-HUUCEWRRSA-N 422.555 1.225 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CCO1 1503770170 CUOXAXJGUURTLT-LJQANCHMSA-N 417.473 1.406 30 10 HDEE CO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1503953219 NEUMEHJBEFHBOH-XHDPSFHLSA-N 406.384 1.826 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507517424 HJTFCTFLQSFMAN-BTYIYWSLSA-N 412.494 1.790 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507572562 NVPDPNDNYIPJQC-QGZVFWFLSA-N 421.505 1.930 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1507691213 ANBXCSDAOMCSJW-HNNXBMFYSA-N 420.514 1.134 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccs2)CC1 1507733248 QVRSUZRYKLOGAN-MRXNPFEDSA-N 414.535 1.376 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2CCOC2)CC1 1507734220 JFTVXCJBIFCEPE-QGZVFWFLSA-N 423.517 1.956 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1507828724 FMWZRROFDNADHV-UHFFFAOYSA-N 405.462 1.979 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1507986464 OGXGHNJFWAJMAZ-IBGZPJMESA-N 422.507 1.038 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1508097820 KZYDKJLAOPWASO-JXFKEZNVSA-N 423.583 1.810 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1508147376 JKQKLZVFUJCUJS-UHFFFAOYSA-N 420.583 1.915 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOC(C)(C)C 1510192134 OYYCVQSRCMNPJQ-MLGOLLRUSA-N 402.496 1.145 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1538887000 HANYDDFFHJTQII-OAQYLSRUSA-N 411.458 1.626 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539128396 ZTOGMKDDJNBNIF-UHFFFAOYSA-N 422.533 1.753 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@H](C)C1 1539423145 SSPRGOURCPFJCE-YRXWBPOGSA-N 406.527 1.903 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@]2(O)CCOC2)n1 1539424869 XGYYUKVCFIELRU-OAQYLSRUSA-N 414.510 1.180 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(OC)c(O)c2)CC1 1539484517 RYKXCFFNNLYBSA-UHFFFAOYSA-N 423.517 1.959 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539513294 IEZJJWAWVLEWKF-HOTGVXAUSA-N 413.551 1.843 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)N(C)CC 1540054537 QOJXCRWLYMKLOK-UHFFFAOYSA-N 420.539 1.296 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1540058294 CYDZVNXUBPPBQT-UHFFFAOYSA-N 415.494 1.867 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1541801687 AXCKIINJAVMSRG-INIZCTEOSA-N 421.509 1.697 30 10 HDEE Cc1nnc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1543126476 DMULKTTVXHKEGE-QZTJIDSGSA-N 421.502 1.969 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnnn3CC2)cc1 1544462972 MXOCTFMRZYHHIW-AJMWVYNUSA-N 417.495 1.077 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1545315898 YHQXUQRVPPSCJI-OAHLLOKOSA-N 412.439 1.306 30 10 HDEE COC(=O)CCc1csc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1545651991 INKACSKFHFCCNI-UHFFFAOYSA-N 411.436 1.937 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1555558454 URSMOXKUJCQKOQ-YWZLYKJASA-N 402.499 1.159 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1555670952 ORDLGLXXHFVBLO-IXDOHACOSA-N 418.498 1.627 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C[C@@H]12 1560007828 UULOARFWWVZNFO-LULLPPNCSA-N 405.520 1.374 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1561573632 DUSPJIMLADQWRM-INIZCTEOSA-N 414.553 1.100 30 10 HDEE CC(=O)N1CCC(N(Cc2cncs2)C(=O)NCC2(C#N)CCOCC2)CC1 1565465786 FUSOLXNGZUATAB-UHFFFAOYSA-N 405.524 1.986 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(NC3(C)CCCC3)n2)CC1 1565590089 MKIQXTHNHMYYHO-UHFFFAOYSA-N 417.579 1.714 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[C@@H]1CCCO1 1567814333 GRYCZXRXUSIXLP-NEPJUHHUSA-N 421.700 1.661 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCCCN(C)C2=O)n1 1584418941 NBEDBEZLWLMNMY-GFCCVEGCSA-N 406.537 1.997 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1585236377 ACULTURWEABCNK-UHFFFAOYSA-N 410.478 1.376 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1587922288 YASJIVIDCPTGHW-NRFANRHFSA-N 404.559 1.027 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1587984919 OBSINZFZHRBNTJ-IAGOWNOFSA-N 419.526 1.877 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1 1588452472 RTJDOGJDTWIWND-NRFANRHFSA-N 400.479 1.867 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1588638238 QGHCKGISZVEKDW-DLBZAZTESA-N 411.510 1.398 30 10 HDEE C=C(Br)Cn1c(C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1589304320 FCQHLVCNROFKMS-ZDUSSCGKSA-N 407.334 1.525 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1594615937 MHFCLUSENIEPCV-GJZGRUSLSA-N 410.544 1.104 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1594992660 NXZWGDIVIGTKRQ-UHFFFAOYSA-N 414.901 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(NC(C)=O)CC1 1595523132 QHCJSCFUBBNMSF-UHFFFAOYSA-N 412.494 1.361 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1595608769 XMLMMXGQKJQFJT-BMFAXAFESA-N 419.526 1.452 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1595871604 VHVISTJVJYOOFO-KRWDZBQOSA-N 404.584 1.818 30 10 HDEE CS(=O)(=O)c1nc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c2ccccn12 1596978470 OPWIMHVCFMVQER-HNNXBMFYSA-N 424.486 1.721 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1613009893 FSTNLMKPIXDGNN-SFHVURJKSA-N 420.521 1.870 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCCS1(=O)=O 1614053662 KCWTZPMPUQNBCR-MSOLQXFVSA-N 414.535 1.620 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CCN1CCOC 1614215661 ABAKBUXYEFRJBG-LJQANCHMSA-N 410.522 1.889 30 10 HDEE CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1617327385 CATSUGZFLAJBAT-SFHVURJKSA-N 417.535 1.617 30 10 HDEE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1617688722 MXENIHVMMITSKI-BBRMVZONSA-N 402.882 1.938 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)Cc2ccc(Br)cc2C#N)C1 1617954956 ZOXUQPWYKRZBDU-IUODEOHRSA-N 423.263 1.816 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 1618800959 WDONKHDUUMPTLF-LBPRGKRZSA-N 414.409 1.518 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1619983932 TYGIEMISSMSZHK-OXQOHEQNSA-N 406.531 1.199 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1620071692 WYZFUTIZIUSVCE-INIZCTEOSA-N 412.494 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCO[C@@H]1CCOC1 1620095285 VOLPIWONGSTRKF-OTWHNJEPSA-N 419.526 1.938 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1620347844 DTTVGJFYYMKFRC-ZWKOTPCHSA-N 410.478 1.058 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CCCCCO)cc1 1620351755 FOCINSWFHHREKP-UHFFFAOYSA-N 412.494 1.593 30 10 HDEE CCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCS(=O)(=O)C1 1625134058 ODXQKOFMCZQNIZ-MRXNPFEDSA-N 407.341 1.943 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)[C@H](O)c1ccc(C#N)cc1 1625571917 CIUZXACAJKYREX-LJQANCHMSA-N 415.471 1.474 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)OC3(CCOCC3)C2)s1 1626778153 IOVNXSWLDIOYSQ-CQSZACIVSA-N 414.549 1.551 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CCO2)c1 1632183264 GSVDFSGHWBXHEW-LJQANCHMSA-N 415.471 1.575 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1633641210 SMECDABKNSISMH-QAPCUYQASA-N 411.911 1.635 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 1635288425 MOXXXWSDTCGHOB-GFCCVEGCSA-N 407.418 1.388 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCn2ccnc21 1636154932 KOZQQLMATFNEIM-GJZGRUSLSA-N 401.492 1.742 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1637390261 SZPMZUIGPVWXSF-GOSISDBHSA-N 416.522 1.779 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2snc(C)c2C#N)CC1 1638054395 UAVGEKGCLYKRJR-HNNXBMFYSA-N 423.539 1.902 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)ccc1F 1639737553 IRVJFCDNIOAGHB-ZDUSSCGKSA-N 418.512 1.376 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1O 1640907379 DRVMTXFXHSRFJK-UHFFFAOYSA-N 400.460 1.056 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1643855657 YRDCKXOJEAXQPX-NCOADZHNSA-N 410.536 1.528 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](C)O[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1644798667 SMBDRGKDUXRDMU-VGOFRKELSA-N 405.539 1.959 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1 1644993043 YSUCFWQPOKGYAF-ZFWWWQNUSA-N 404.410 1.828 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1646390765 AFJFFORDOQVUJQ-QGZVFWFLSA-N 423.517 1.668 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(C(F)(F)F)n(C)n1 1647759202 OLFCYMMGWFKHEQ-JTQLQIEISA-N 415.397 1.294 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1648734431 OSWHSNIMMRUNIL-QGZVFWFLSA-N 403.479 1.956 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1649539476 NVYHMTAVVMRNEU-CDXJDZJCSA-N 403.527 1.647 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1)C2 1650671948 BNTDJVTZIYGWMM-PMACEKPBSA-N 410.518 1.862 30 10 HDEE COC(=O)c1ccc(OC)c2c1CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1651287388 KOYQYDADQSQOHZ-FMQUCBEESA-N 413.430 1.283 30 10 HDEE COc1ccc(CN2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2=O)cc1 1653182969 OUJXRQIEQUFNFU-IBGZPJMESA-N 401.507 1.801 30 10 HDEE COc1ccc(-n2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)nn2)cc1 1654813864 GKAYORDLEHXAJP-UHFFFAOYSA-N 421.413 1.794 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(c2cc(C#N)c(Br)cn2)CC1 1655487093 FKHPGAZTRLNLCC-QHCPKHFHSA-N 400.298 1.996 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(S(C)(=O)=O)[C@H](C)C1 1659425253 QSFOIWWMMUUSPF-HUUCEWRRSA-N 410.565 1.985 30 10 HDEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660315689 XIPQOQOIRGGGCW-VBHSOAQHSA-N 411.911 1.854 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C)CCN(C)CC2)n(Cc2ccco2)c1C 1660328444 NKJWEOJIMONIIH-UHFFFAOYSA-N 412.538 1.736 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1 1666657550 CWTYVTVOUASVHO-QGZVFWFLSA-N 403.508 1.366 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 1670382513 CNUAJRBYGFTLSM-KRWDZBQOSA-N 406.504 1.719 30 10 HDEE O=C(NC[C@@]1(O)CCN(CC#Cc2ccccc2Cl)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1672008296 FYANUYWPRFUKCW-NGSIFRTDSA-N 400.906 1.668 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nc4c(s3)COCC4)C2=O)cc1 1672357006 GCYKBQJZNIQKSF-MRXNPFEDSA-N 411.487 1.688 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)nn1 1673955779 BNIHADGMVAJDJG-UHFFFAOYSA-N 400.439 1.267 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCCCn3ccc(O)nc3=O)CC2)c1 1674054990 DQWBFAKHTQJKNT-UHFFFAOYSA-N 410.478 1.174 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@@H](Oc3ccc(C#N)cn3)C1)CCO2 1676004788 LPRNDMJUEZANQD-CXIVCQEWSA-N 414.462 1.617 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1676087037 MRXSIQADYGAYHK-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c3ccccc23)CC1 1679728450 AVXSPTMEUCCVAY-UHFFFAOYSA-N 402.476 1.466 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](n3cccn3)C(F)(F)F)C2=O)cc1 1680779423 XMLQGXUUANXQKC-HZPDHXFCSA-N 420.395 1.958 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)C(C)C 1681567955 LXKGJZUZHOWFRT-SFHVURJKSA-N 403.531 1.422 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 1683313488 ZCJRVKRXIQQBCM-UHFFFAOYSA-N 424.914 1.334 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)CC1 1684026097 LRNHXMLFGUOEFO-UHFFFAOYSA-N 408.568 1.918 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 1685890229 LDZBNXKIUPWEMR-LJQANCHMSA-N 420.510 1.556 30 10 HDEE C#C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)c1ccc(Br)cc1 1686920281 VEVWWZWWPHEKNC-MRXNPFEDSA-N 409.328 1.785 30 10 HDEE C#C[C@@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(Cl)cc1F 1686922746 OYSKKZHQMDUPJL-SWLSCSKDSA-N 403.863 1.113 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCC#C[C@H]2CCCCO2)C1=O 1687387882 DHQFOFZJJOVTLS-IAGOWNOFSA-N 407.511 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1CC 1690003580 RCJJNUFGUHAAGM-QHCPKHFHSA-N 424.549 1.910 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1690076830 BXVPGARHBFRXIM-SJORKVTESA-N 410.540 1.083 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690351000 FEXXGWINYCUMTB-IBGZPJMESA-N 408.934 1.454 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)CC1 1690411692 RXFYCACXIORULG-HNNXBMFYSA-N 421.523 1.765 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1690523809 PJSPYUUZBCYVHM-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1695170850 LWROZIIRTUGVRP-QGZVFWFLSA-N 407.478 1.154 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1695444849 SGJAFHZXQJHYPT-HZPDHXFCSA-N 412.494 1.869 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)c1 1697523509 YVUUOBVQEXHZJF-KRWDZBQOSA-N 403.508 1.798 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1698062822 IUADYUDAHSGLIY-LJQANCHMSA-N 424.505 1.830 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1698489495 VNVCZTNTUYCANL-INIZCTEOSA-N 405.405 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1705474391 GXPGVUAWYPQNSA-HNNXBMFYSA-N 405.462 1.613 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566980 SYEVMZMFZPZUNQ-RTBURBONSA-N 419.595 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1705644563 VELDWQAYOXGWHV-UHFFFAOYSA-N 421.567 1.119 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](C)C1 1705698260 RLWLNUAYWMYEIH-JJTUDDRGSA-N 411.572 1.962 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)CC1 1705781912 KEVYYHJNBHTPHK-VQIMIIECSA-N 410.540 1.388 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1705805964 TXCAVEHFFFOCHH-INIZCTEOSA-N 410.540 1.926 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705909401 WEEBSSNCYHFVDQ-QGZVFWFLSA-N 412.494 1.815 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1709182911 DEDFJENOMHWGAC-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE CCOCc1nnc(N2CCO[C@@](C)(CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710747674 WZKSYKCJODSUBX-PCYKQNFTSA-N 418.498 1.346 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1722276533 JBNRWFBAHWOEGK-RRFJBIMHSA-N 423.514 1.953 30 10 HDEE C#CCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722341025 PSTNYUIRXTZSEZ-OAQYLSRUSA-N 411.510 1.460 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722366379 IHAJURXOEQZLRC-MRXNPFEDSA-N 420.539 1.428 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cc(C)nn1C 1722384335 PSAHNVCGGUOOFC-HXUWFJFHSA-N 402.458 1.954 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1722393784 JZTZMUTYXOGDDY-QGZVFWFLSA-N 412.519 1.227 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@]2(O)CCO[C@@H]2C)n1 1722430177 ZTCRXTIRNDFVEE-IIBYNOLFSA-N 414.510 1.178 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1722459815 RUWCRGIRYGBYCD-KRWDZBQOSA-N 413.551 1.655 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722553745 AJQDEYDHFYLIMU-DOXZYTNZSA-N 409.918 1.926 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1722682889 PVEHQXBVFVSUJW-ZDUSSCGKSA-N 405.528 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722693064 CMQHFGMQJPRETL-AWEZNQCLSA-N 416.913 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(CCC)C(=O)C1 1722697271 YWIJCHFHNSRZCP-UHFFFAOYSA-N 414.485 1.835 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1740593034 PRBQGKOAHBMPOG-UHFFFAOYSA-N 411.506 1.586 30 10 HDEE C#CCCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740597381 SRSJNJMKWPICFX-OAQYLSRUSA-N 403.527 1.696 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1740626654 XYPKNYALFPOBED-ZEVQVBBLSA-N 416.551 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1740634911 IABZYDWKIDHXMX-JOCHJYFZSA-N 422.558 1.621 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1740636722 AHEILVAMCFLASM-KRWDZBQOSA-N 424.530 1.656 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2cnnn2C)CC1 1740708658 XLQBPFBDGZDMLE-UHFFFAOYSA-N 410.526 1.153 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1740940476 HQLNYXJKHUQCPK-KRWDZBQOSA-N 422.493 1.497 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1740941167 DDYRIOCTQMLYAC-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC(C)(C)OC(C)(C)C1 1740963124 ADMXWONXBODVTK-UHFFFAOYSA-N 404.515 1.097 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOCC2(C)C)C1 1740970181 GLEGICOXXGRTFS-KRWDZBQOSA-N 420.558 1.308 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1741002505 JEKNRFHNOJBEPN-LSDHHAIUSA-N 414.597 1.961 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1743761339 CHOZHAJUZWYHNV-OAHLLOKOSA-N 411.510 1.705 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747796391 WSYXEEGOUCGAQY-QFPXGYFVSA-N 412.450 1.538 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1748690549 USLUKARFDFGBAZ-PMPSAXMXSA-N 412.556 1.673 30 10 HDEE C#CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748761894 CROVWTFIWZXUDO-FQEVSTJZSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1748770756 FCBKGMZGIPXMIN-FQEVSTJZSA-N 408.466 1.024 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1748814843 KBBGEYPGZKHZNY-HUUCEWRRSA-N 423.514 1.138 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)c1 1748824419 AMOWPDKEJCHWNY-UHFFFAOYSA-N 420.517 1.374 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccnc2OCC)CC1 1748990781 KVKBOQDLOHDNAR-LJQANCHMSA-N 410.522 1.769 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C2CC2)CC1 1748993409 XBRPAASSKGFLEB-UHFFFAOYSA-N 410.497 1.289 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)C)CC1 1749003710 SKZZTLWTGBUWHL-QFIPXVFZSA-N 417.554 1.941 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=C)Cl)CC1 1749003749 UPLBDVXENKYLOP-FQEVSTJZSA-N 421.929 1.649 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1749305168 OPZAZUQGDNSPFH-LJQANCHMSA-N 410.522 1.915 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccco2)C1 1749670121 ROGSCQRQWDHTCT-DOTOQJQBSA-N 401.467 1.645 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)C1 1749707811 GRNNMIKLKJFYLM-VAMGGRTRSA-N 419.570 1.800 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1750057208 QHXQJDQSLWQBFX-QGZVFWFLSA-N 408.466 1.235 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCNC(=O)OC(C)(C)C 1750058927 JSPQTNJBRPOIBK-AWEZNQCLSA-N 407.519 1.927 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC(C)(C)C)n1CC1(O)CC1 1752281494 ODOFGOFHKQXXCE-HNNXBMFYSA-N 410.526 1.768 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760144772 ASGILFYMVNDNLP-HUUCEWRRSA-N 405.528 1.029 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)CC 1760197472 XWXCYVCOINOKGS-MHZLTWQESA-N 418.544 1.190 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N(C)C 1760205444 BJRLKYOUUSUOJI-SFHVURJKSA-N 406.538 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2C)CC1 1760259781 GZCRVLXLEGFCJI-RTBURBONSA-N 422.533 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1760290971 WDIUOUPKKHZMSC-BHDDXSALSA-N 415.538 1.789 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760366539 CAJXXSMRMZCNHO-MJBXVCDLSA-N 419.935 1.025 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](COC)OC)C1 1760545334 RWWJKUGBWRRCFJ-LSDHHAIUSA-N 419.482 1.449 30 10 HDEE CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762370381 RXRAJZFCCYBCHW-ROUUACIJSA-N 411.510 1.800 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCC[C@@H]1CO 1762609415 RVTLZARCRCFOCM-HXUWFJFHSA-N 424.553 1.417 30 10 HDEE CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1765274899 JBJSJZZIIHCZKG-KBPBESRZSA-N 405.480 1.308 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1767768157 PIRYWMGUNJRNPF-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1767843366 GHFDSFILGUQARH-YOEHRIQHSA-N 418.523 1.227 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1768986052 PDLJDLAYJUPHAH-QGZVFWFLSA-N 408.466 1.521 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC(=O)NCc2ccco2)CCO1 1770748690 QIVIRRYDRUYGOD-KRWDZBQOSA-N 424.436 1.646 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)s1 1772787999 HVJOPTUNWIKHQV-CQSZACIVSA-N 420.468 1.964 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 1850691868 YMFJPFZOQFCJQR-GOSISDBHSA-N 403.910 1.183 30 10 HDEE CC(C)CO[C@H](CC(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)C[N+](C)(C)C 1851938393 LILBYWPSTJXWRZ-CYBMUJFWSA-N 416.486 1.994 30 10 HDEE Cn1ncc(C#N)c1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1852955737 VCEIMVJFWUARSE-CQSZACIVSA-N 411.846 1.876 30 10 HDEE Cn1nncc1CN(CCCN1CCc2ccccc2C1)C(=O)c1cnc(C#N)nc1 1853564341 HNMUFUKLUBRVKD-UHFFFAOYSA-N 416.489 1.568 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)C[C@H]3CCCO3)C2=O)CC1 1854809728 RWRILKWSOXBRED-RTBURBONSA-N 411.506 1.552 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCN([C@@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854997816 HTXKXHLVWFQGRF-SJLPKXTDSA-N 408.506 1.694 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855003063 LLHYFFDBSXFSDL-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cccc(Br)c3)C(=O)C2)C1 1855018796 GGCSOFXEMKDGNP-MRXNPFEDSA-N 405.296 1.721 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1855539830 YPVDGNNPQYQPEG-KRWDZBQOSA-N 407.474 1.521 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(-n3cccn3)nn2)CCN1Cc1ccc(C#N)cc1 1855643034 XZSHPIRDQQWSPM-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE Cc1cccc(CCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856598136 XRNCRPRMSRPZTA-SFHVURJKSA-N 419.503 1.840 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1857206198 ABDDZQVIYMYAGS-OAHLLOKOSA-N 400.458 1.053 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cn(-c4ccncc4)nn3)C1)CC2 1857213722 UGHPVKYEAFBLGO-HZPDHXFCSA-N 405.462 1.277 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)C2CC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1857414996 SNAZEFBPAFYOBU-ZDUSSCGKSA-N 418.448 1.279 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868592521 UWUSQHXQDZKBEF-OALUTQOASA-N 404.532 1.739 30 10 HDEE Cc1cc(C)cc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870141778 KAADWEILYHLUSO-UHFFFAOYSA-N 400.398 1.991 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1C[C@@H]1CCCO1 1870357971 SPGOCEAXYKOJCE-IBGZPJMESA-N 419.522 1.079 30 10 HDEE O=c1c(Br)c(N/N=C/c2ccccn2)cnn1[C@@H]1CCS(=O)(=O)C1 1873526901 BPWPFSZOGMAOBY-RGOWCBCBSA-N 412.269 1.206 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccn1C 1874433775 XPJWYXUFMCLONO-ZVBGSRNCSA-N 415.479 1.136 30 10 HDEE COc1cc(/C=N/n2cnnc2SCC(N)=O)ccc1OC(=O)c1ccccc1 1874537785 WOTRJAXVWFAJMF-LSHDLFTRSA-N 411.443 1.966 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@@H](CO)CNC(=O)OC(C)(C)C)n1 1900334418 RSWDOIOZHTZZGM-OAHLLOKOSA-N 407.320 1.987 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)N1CCN(C(=O)OC(C)(C)C)CC1 2192472929 NLOBBMOHKLHZSO-CYBMUJFWSA-N 414.553 1.839 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2217439875 KPXGUIVYJPSWJN-UHFFFAOYSA-N 418.303 1.268 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCC#CBr 2244547641 CXAOJVVFJRTVES-NSHDSACASA-N 411.318 1.177 30 10 HDEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247826461 UTAIYOHJDVCADJ-CHWSQXEVSA-N 420.319 1.423 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(O)c2)OC1(C)C 2247985502 INMIIPKLQWKEIX-UHFFFAOYSA-N 414.189 1.194 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NC[C@H]2CCN2Cc2ccccc2)OC1(C)C 2248061494 QMRMPEZWYPOBMQ-QGZVFWFLSA-N 408.311 1.780 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2255794795 PHIMFZXXPSYHFR-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccn(Cc3ccccc3)n2)n1 2255816371 DEVWDBJGQSPILA-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4COC[C@@H]43)cc2Cl)OC1(C)C 2267353178 JQZOBBMMQDXKCQ-ONGXEEELSA-N 405.734 1.720 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CNCCSC2)OC1(C)C 2267467237 MFKCJQKHTHCSLE-NSHDSACASA-N 404.388 1.031 30 10 HDEE CNCCNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267724444 JYFBDFRCMFKSJX-UHFFFAOYSA-N 409.144 1.790 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)N2CC[C@@H](C#N)C2)cs1 2271144182 NHDUUVAEZAONJP-NSHDSACASA-N 401.514 1.348 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282017826 PFIFHCVJORESGY-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE CCNCCN(CC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282308926 YCNTYIAFIGAFTQ-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@]1(C)CO 2282326280 QCHJDHSFAJXKHN-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@@H](N)C1 2282326453 SKUGRMBBYXZCAY-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282497594 RVPBCNNXDHMBGG-IAQYHMDHSA-N 401.721 1.952 30 10 HDEE CN(C)CCN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282503950 HXXMQBCQKJJESI-UHFFFAOYSA-N 402.753 1.821 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CN)CCC3)c(Cl)c2)OC1(C)C 2282510585 APUYYZOVTUCTSD-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE CC(C)N(CCCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836659 NFJFMLNSMWXDJH-UHFFFAOYSA-N 404.363 1.365 30 10 HDEE CN(Cc1ncon1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282846945 RCRQCUNGLJYTDF-UHFFFAOYSA-N 419.721 1.904 30 10 HDEE C[C@H]1CSCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282847107 UGNSKLCSAXAFCM-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282862560 FFTFCYCAEUYLRQ-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC[S@@](C)(=O)=NS(=O)(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2282866670 NFQFOCCIXABXQX-RUZDIDTESA-N 403.331 1.801 30 10 HDEE CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869366 BSEFKSHEPWFHAG-CHWSQXEVSA-N 401.359 1.626 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C2CC(N)C2)c1B1OC(C)(C)C(C)(C)O1 2282870777 XMLLRSLATAVKFX-UHFFFAOYSA-N 400.375 1.774 30 10 HDEE CO[C@H]1CC[C@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883131 WHAAKYOJEATPTI-KGLIPLIRSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c2Cl)OC1(C)C 2284378008 YRYVZCQAXTYXIX-QMMMGPOBSA-N 403.649 1.358 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284392844 CAHPJCDRTKIEJT-WDEREUQCSA-N 401.315 1.416 30 10 HDEE COc1cc(C=NN[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccccc1 2320842338 VUHXENUUBOLYGX-QGZVFWFLSA-N 417.487 1.823 30 10 HDEE NC(=O)CSc1nnc(C2CC2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2320882282 YBWLZMHNBBLLPJ-UHFFFAOYSA-N 404.408 1.295 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)CC1=O 2329018186 UZQBXEIUTCMVMY-CYBMUJFWSA-N 402.480 1.168 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Cl)cc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c2ccc(I)cc2)CC1 2367820597 WBFORRSVQFVAJV-QWHCGFSZSA-N 405.257 1.233 30 10 HDEE CCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@H](O)c1ncc(I)s1 2368333858 YWTIITMRKQJYOV-TUTUZKQUSA-N 404.273 1.655 30 10 HDEE COc1cccc(-c2ccc(=O)n(CCNC(=O)COc3ccc(C#N)cc3)n2)c1 13601589 CJSWQRDWNBIKTL-UHFFFAOYSA-N 404.426 1.986 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 48291200 AEAKCRZWZBUVAO-OAHLLOKOSA-N 404.898 1.139 30 10 HDEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc(C(=O)OC)cc1)CC2 72159177 ZMHYHIJSUIGHKS-SFHVURJKSA-N 416.474 1.947 30 10 HDEE COC(=O)[C@@](C)(O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96736539 COPFPSCDRINJCJ-LBPRGKRZSA-N 406.132 1.374 30 10 HDEE Nc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\C(=O)c3ccc(Cl)cc3)N2)cc1 100425017 CMIHMFZQSPJDLA-NTEUORMPSA-N 404.835 1.453 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)sc1C 122303139 JNVIKHLOTRKCGM-SNVBAGLBSA-N 412.352 1.630 30 10 HDEE COCCN(CC(N)=NO)C(=O)c1ccc(I)c(Cl)c1 316981526 JUSUBMTYHLDUPY-UHFFFAOYSA-N 411.627 1.780 30 10 HDEE O=C(N[C@H](CCS)C(=O)O)c1cc([N+](=O)[O-])ccc1I 379675603 HLOXVJSDOCFPCE-SECBINFHSA-N 410.189 1.702 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC 409526587 AHPCRRWIFMMYEE-LBPRGKRZSA-N 402.904 1.945 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2C)CC1 438196677 HEJNCEAUTOZWFG-UHFFFAOYSA-N 415.538 1.833 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)n(C)n1 446941483 KWVIBALNCSEOEK-IRXDYDNUSA-N 423.525 1.279 30 10 HDEE Cc1cc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(C)c1O 470895607 ADNQTJYEMRZYQM-OAHLLOKOSA-N 401.488 1.906 30 10 HDEE COC[C@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(F)cc1 472061376 DBHXJUCTKKDUFB-SFHVURJKSA-N 400.458 1.959 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3)CC2)c1C#N 472273420 BLRISWBMUJGCHW-IBGZPJMESA-N 406.490 1.554 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(C#N)c(Cl)c2)CC1 478487787 YJRGCQJKCNBSEA-UHFFFAOYSA-N 407.854 1.968 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)cn2C)CC1 481452031 CJAPDFPSLUALRC-UHFFFAOYSA-N 422.894 1.705 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2ccsc2)C1 482806172 ZGGJECBPZZDODP-SUMWQHHRSA-N 405.501 1.887 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 489186596 SRLSEGBXYAHWAB-SFHVURJKSA-N 405.520 1.489 30 10 HDEE COc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 489829342 RQVVIXNBDPSMDC-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 498412543 HMJVLFBLHKFZRF-KRWDZBQOSA-N 414.487 1.699 30 10 HDEE CN1CCCC[C@H]1CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 501090185 FJARKKPUYRQBLA-FQEVSTJZSA-N 407.522 1.568 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C2CC2)C1 508498962 WMIJFGFIEDIGIF-SFHVURJKSA-N 417.535 1.997 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 508918176 LQXOHQSNBRNDHX-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)nc1 512894371 GKZJOMYHRALWKR-IBGZPJMESA-N 404.474 1.980 30 10 HDEE Cc1c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cccc1S(N)(=O)=O 513853063 RGQPJPQPSALQKX-UHFFFAOYSA-N 400.504 1.718 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1CN1CCOCC1 518431750 JOJNOFVSKQZSHF-LJQANCHMSA-N 410.522 1.864 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccccc2)c1=O 522109925 HQEJPBIBZBDZGO-UHFFFAOYSA-N 404.495 1.564 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)CC1 524496351 NYCQFRISOKLEJZ-UHFFFAOYSA-N 414.554 1.447 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 542453342 YSILHOFURAPXSH-NVXWUHKLSA-N 420.477 1.159 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 555243434 TYNHRNFFQTXZGR-INIZCTEOSA-N 404.540 1.874 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558586641 BNGLZGPOQROFAX-JKSUJKDBSA-N 405.524 1.366 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)CC3Cc4ccccc4C3)C2=O)cc1 567085580 ANEHWDVKCPIOFL-NRFANRHFSA-N 409.511 1.994 30 10 HDEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 578227544 RBGKQEJIGJMUSF-INIZCTEOSA-N 401.872 1.354 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3occc3C)c2=O)cn1 608474582 QDACPVCSAUEDSM-UHFFFAOYSA-N 408.483 1.889 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc4nccn4c3)CC2)cc1 610026268 ISINEQHYFYVOKK-UHFFFAOYSA-N 410.459 1.744 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccnc(C#N)c2)CC1 610991235 GAQVLCIRSHHGSI-UHFFFAOYSA-N 401.448 1.676 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 617049636 VVVCGRXBSYLSHU-MRXNPFEDSA-N 412.487 1.279 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CSCN2C(=O)CC)c1 727993169 JKRAKWWUWIBUGO-GOSISDBHSA-N 415.515 1.171 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332737 WNCKJKAIGLTETG-GDBMZVCRSA-N 406.529 1.410 30 10 HDEE Cn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729670483 TWWGFRGFMHWVQB-UHFFFAOYSA-N 401.451 1.236 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 732663783 GMRKQSDNQXFWOH-AWEZNQCLSA-N 420.520 1.095 30 10 HDEE C#CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCS(=O)(=O)C1 739700385 HYQIWQFBRUKKLJ-LLVKDONJSA-N 401.238 1.620 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 757869297 FJVKFKNBUOFISI-AWEZNQCLSA-N 411.480 1.131 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 758759725 BRLLCUNRLHESED-JHJVBQTASA-N 408.459 1.677 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@H](N3CCCC3)C2)cc1 758789103 DJZHCTNMQOLFLT-MSOLQXFVSA-N 407.561 1.250 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCN(c3ccnc(C)n3)CC2)c1=S 758970164 NDJZVGWZDBKYFS-UHFFFAOYSA-N 409.523 1.935 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 760995047 XLBILZFIPIGKFW-HNNXBMFYSA-N 409.471 1.670 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)cc1 765148757 OGVDADIOQMVCGJ-RHSMWYFYSA-N 421.519 1.583 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCN1C1CC1 768155863 WVIHRAHYFGHRDX-NSHDSACASA-N 412.675 1.635 30 10 HDEE Cc1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1S(=O)(=O)NCC#N 768476495 RYFTYXJVRKIRIU-INIZCTEOSA-N 401.444 1.865 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCCC2)C1=O 771582449 LWNUKRLSVMTXRS-LHSJRXKWSA-N 412.446 1.102 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780207349 XSBNBVBXGKYXNI-KRWDZBQOSA-N 406.391 1.316 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)o1 781397956 QUEDJVBDICDFHQ-UHFFFAOYSA-N 419.441 1.650 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C 782392500 OWEFNLXSDRNUQJ-BOLFOIPXSA-N 408.495 1.766 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3ncccc3C#N)CC2)C1 782667269 CWDYGYYBBDNKJB-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(-c2ccccc2)ns1 784715755 CXIUPECXWMOAMJ-WUKNDPDISA-N 411.443 1.391 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CON=C(N)c3ccco3)cc2F)C[C@H](C)O1 789628043 SXVNQZKIDRCPFH-KBPBESRZSA-N 404.442 1.986 30 10 HDEE CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N(CC(=O)O)Cc1cccc(C#N)c1 793986911 JCJMIZKKYJWBGJ-SFHVURJKSA-N 407.492 1.566 30 10 HDEE Cc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 798827178 UUAWGIKSFKETEB-SNVBAGLBSA-N 412.269 1.629 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cn1ccccc1=O)c1ccccc1 800706519 DSMSDPITZAGJGW-SGRLSNSRSA-N 421.457 1.415 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 805233530 XOOCSOGBVYASCK-CYBMUJFWSA-N 411.414 1.824 30 10 HDEE CSC[C@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 809085308 USCCQKOMOAKZAF-HRCADAONSA-N 424.519 1.526 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812384308 JUSRPQQYQJELIE-DLBZAZTESA-N 418.519 1.818 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)CNc1ccc(C#N)cc1 920808969 BKUAOKUQOBCTLZ-UHFFFAOYSA-N 415.494 1.508 30 10 HDEE CN1C[C@@H](C(=O)Nc2ccc(F)cc2OCC#N)N(C(=O)OC(C)(C)C)CC1=O 1127173626 JUPBIOSWJFWVQY-AWEZNQCLSA-N 406.414 1.744 30 10 HDEE CCn1cncc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 1130968129 ONMNWGPSLQWKHQ-UHFFFAOYSA-N 415.475 1.174 30 10 HDEE N#C[C@@H](NC(=O)c1cnn(C[C@@H](O)CO)c1)c1ccc(OCc2ccccc2)cc1 1136591965 JYBNEGOTSLLVTL-TZIWHRDSSA-N 406.442 1.810 30 10 HDEE CC1(C)CCCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@@H]1C#N 1140097290 LDKXQEPQCVRUEL-CQSZACIVSA-N 412.899 1.258 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1140132434 GAMFSOMDNCUDSL-ROUUACIJSA-N 418.538 1.058 30 10 HDEE CN(C)Cc1csc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1141874993 ABFMACMBACQJJF-UHFFFAOYSA-N 407.521 1.662 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1146221297 PABSEGUWUCTHJB-ROUUACIJSA-N 415.490 1.630 30 10 HDEE CCn1c(S)nnc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1146632425 HGYNTUVIKGGCBC-GFCCVEGCSA-N 418.910 1.824 30 10 HDEE N#Cc1cncc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 1156107990 KETNQKUFQQBLHV-MRXNPFEDSA-N 402.451 1.809 30 10 HDEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1159159067 NCTMYRNWGYJXKI-NZSAHSFTSA-N 420.473 1.395 30 10 HDEE C[C@H]1COCCN1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1160158779 MECBRJPTJNUIEJ-AWEZNQCLSA-N 409.483 1.448 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 1162248076 FFTBEWKUIWCFIM-WQVCFCJDSA-N 409.533 1.346 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 1163382329 CUWZCAIWXXEARQ-UHFFFAOYSA-N 400.416 1.677 30 10 HDEE Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1168653596 PUOSUHYOHWMHDN-KRWDZBQOSA-N 401.492 1.754 30 10 HDEE Cc1cn2c(n1)C[C@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)CC2 1183325374 TUKUMGULULIXJR-GFCCVEGCSA-N 404.268 1.937 30 10 HDEE C#CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1277114071 JPBOKHLRIAVCKO-OAHLLOKOSA-N 408.476 1.481 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1286278686 PPWLCTYJESESEY-HOTGVXAUSA-N 415.469 1.874 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286437114 IAFAJVOSELOCJH-YYWHXJBOSA-N 404.511 1.728 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1286471129 HAHBYDLXGHCGQQ-LQWHRVPQSA-N 405.543 1.308 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CC(=O)NC)CC1 1286784320 DNSVUYDEOUYSRU-UHFFFAOYSA-N 414.485 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286785607 OZPBKIYVAXXQES-MRXNPFEDSA-N 408.510 1.388 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnc(C)s1 1286791375 YJHXEIVXJIGTQB-UHFFFAOYSA-N 414.539 1.843 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOC[C@@H]1C 1286793323 VWJSXNPOFAZJGH-INIZCTEOSA-N 415.494 1.783 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)CC1 1288986632 WOXNHCRBHOKZPI-HOTGVXAUSA-N 402.499 1.555 30 10 HDEE Nc1nc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)nc(N2CCOCC2)n1 1294496005 DQVFFBGKPDOQBF-UHFFFAOYSA-N 406.368 1.091 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 1297777914 DSFPIBIGEYPWJU-SFHVURJKSA-N 414.535 1.992 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1299206137 HBGGVQHDBXCLHF-SFHVURJKSA-N 423.521 1.648 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(C)cn1 1300286322 HZOLQBGVZLJEEO-INIZCTEOSA-N 402.466 1.584 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1300324391 DLPRMKLKYPHPJW-HNNXBMFYSA-N 422.493 1.768 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300488825 WNFRNZBFMCXYIM-MRXNPFEDSA-N 417.535 1.717 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccncc1 1300649565 NLGAQUGQXGAATK-UHFFFAOYSA-N 405.462 1.649 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)COC)CC1 1300700638 TZQWBLBVHWCPKI-YLJYHZDGSA-N 411.506 1.828 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1301294671 AERPIEPQHDEOKP-OAHLLOKOSA-N 401.467 1.279 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1301313186 YLTPPXLEWLTBGN-CQSZACIVSA-N 416.507 1.515 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1301425757 YILNTUGQOHPONM-AWEZNQCLSA-N 411.553 1.632 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1301509559 JAMFXVOFEUHCGW-GVDBMIGSSA-N 400.527 1.718 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)NC(C)C 1301510058 RWFDVAMQNMNTQU-UHFFFAOYSA-N 423.521 1.544 30 10 HDEE C#CCN1CCC(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1303793145 VTLJXZUFRSYOKJ-HJWRWDBZSA-N 410.518 1.114 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(S(C)(=O)=O)[C@H](C)C1 1307932033 QXJRSJOSOQVGDG-CVEARBPZSA-N 408.524 1.296 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1312903671 JLXCPWJQTKTIKH-SZVBFZGTSA-N 407.478 1.884 30 10 HDEE CS(=O)(=O)c1cccc([C@H](NC(=O)NCC#CCO)c2ccc(F)c(F)c2)c1 1313191465 QSEARWYMMIVEOO-SFHVURJKSA-N 408.426 1.753 30 10 HDEE CN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CCC1 1314692146 SOTFFGXQQHBKGV-MRXNPFEDSA-N 420.495 1.113 30 10 HDEE CN(CC1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314815539 NXTYPMVRDOODIL-ZCXUNETKSA-N 416.526 1.965 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CSCCS1 1316100908 ADKBFSSCIRYHPU-OAHLLOKOSA-N 424.596 1.616 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 1348404670 MPHMVIPVJOQFOV-UHFFFAOYSA-N 422.463 1.138 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1358889411 BQAHSVFQUAYDLX-RLFYNMQTSA-N 416.503 1.683 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1COCCO1 1359279571 LNXRBUONXXIQKR-KRWDZBQOSA-N 416.478 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359333472 YWUOECJDJALPNF-INIZCTEOSA-N 424.571 1.118 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCC2)CCOC1 1360339177 RROOJJRFGAZSRR-UXHICEINSA-N 406.506 1.856 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4c(C#N)cccc43)C2=O)cc1 1436920644 YNISTSUVBAXOSY-QFIPXVFZSA-N 404.426 1.923 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)COc1ccc(C#N)c(Br)c1 1441367678 HBIUOFCVDFZTMV-UHFFFAOYSA-N 418.313 1.487 30 10 HDEE CCS(=O)(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1441372879 PQIGNWIHPOXROT-UHFFFAOYSA-N 414.325 1.794 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccnc2-n2cccn2)s1 1442038618 MXCCLSNUMZIPAV-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CCN(C)C)C(=O)C1 1460339546 MLHTXACSEKZFQE-OAHLLOKOSA-N 417.579 1.921 30 10 HDEE COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460834876 PUQXSEIAOSWBBP-PEBVRCNWSA-N 411.505 1.040 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 1461539103 BTZNTFDAIMSMIX-UHFFFAOYSA-N 401.492 1.523 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 1462270564 GWUUSJCYBNUBCQ-DYESRHJHSA-N 417.462 1.718 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)C1 1463091122 WIOPMKSTKKNEKO-KRWDZBQOSA-N 418.515 1.952 30 10 HDEE CCOc1cc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)ccc1OC(F)F 1463973643 BJLGQUQWKKZLPZ-UHFFFAOYSA-N 422.388 1.869 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2cc(Cl)cc(C(F)(F)F)c2)c(=O)nc1O 1464107848 BXOFADMOQGZOJC-UHFFFAOYSA-N 422.772 1.471 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCC[C@@H]1O 1468080178 WRCWSMKJHQHAFA-WBVHZDCISA-N 407.536 1.953 30 10 HDEE C=CC[C@H](CC)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1478537899 GLXFXLOXHDBSME-ZNMIVQPWSA-N 401.529 1.769 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)C1 1505124790 XLFTZQSWWIUSRP-SFHVURJKSA-N 417.535 1.993 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1505322135 JJPCREFXSARDPS-CVEARBPZSA-N 400.870 1.530 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1507511952 AYXROVPWHQJHFV-LBPRGKRZSA-N 405.396 1.889 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1507514408 NIMLGROUEBERCY-GOSISDBHSA-N 424.549 1.961 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634634 OHELWUFVAQURSI-SJLPKXTDSA-N 407.584 1.586 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2OCCO2)c1 1507637138 ICNHNPZOYGAPGR-UHFFFAOYSA-N 407.474 1.583 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1507652002 WDPIAHLERALBOW-UHFFFAOYSA-N 419.510 1.789 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCn1cncn1 1507668906 OJIWCTZLDKUIQM-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507793536 AZYGWEZTFDDDHY-ZXNZYJFHSA-N 416.570 1.557 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507800711 OWRULALREVOYPK-KURKYZTESA-N 412.494 1.273 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507855112 SQKWUUCRYCTSHW-QGZVFWFLSA-N 423.993 1.774 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1507967978 POARBASNTIEYIO-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1COCCO1 1507971764 CEUNJSPNJIOFGA-INIZCTEOSA-N 421.523 1.233 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1508115884 DTBRUHPKTSOJLZ-WBVHZDCISA-N 403.508 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C(C)C 1508139521 BRIBCGAFOCUPHZ-MRXNPFEDSA-N 421.523 1.838 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)CC1 1510290914 VLLVYPLSZKYGGT-MRXNPFEDSA-N 402.499 1.450 30 10 HDEE Cc1c(C(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)cnn1CCC#N 1530691659 POGFICPUJLDLCA-UHFFFAOYSA-N 401.492 1.949 30 10 HDEE N#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 1537821466 SSTLACDBBAZYMK-UHFFFAOYSA-N 404.423 1.412 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCCn1cnnn1 1539290719 SDRPYGYJAOOTLU-UHFFFAOYSA-N 410.869 1.660 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1539345165 QOEKLCNYZVSOCA-HXUWFJFHSA-N 407.515 1.914 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C 1540876001 FBHISRPUMXDWAT-MRXNPFEDSA-N 400.531 1.928 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccccc2CC1 1540902622 NBZCMGBBHYCAOY-IBGZPJMESA-N 416.547 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540902954 UWBLTOQGOBXNQJ-SOABOVLPSA-N 424.567 1.370 30 10 HDEE CCS(=O)(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1542815103 AOXXJUQGMDDLCB-QGZVFWFLSA-N 421.519 1.943 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCc2ccco2)n1 1543037622 TZUHRNIMVGROJW-UHFFFAOYSA-N 422.493 1.789 30 10 HDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)N(C)C 1548372652 PWXUIPKGMCHMEZ-MRXNPFEDSA-N 412.412 1.719 30 10 HDEE CO[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1555174025 BAAKXTUQPCQGJE-NCJSADBTSA-N 414.510 1.933 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](n2ccnn2)CC1 1557709315 VYHGFPPEAKABAR-GOEBONIOSA-N 402.480 1.070 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCCN(CC#N)C1 1558940477 XGKPMNATOCRVJE-KSZLIROESA-N 421.586 1.564 30 10 HDEE CCOc1ccc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)nn1 1560019166 SCXZFVDCGPKXKO-UHFFFAOYSA-N 405.458 1.297 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1563640730 VOEAWGVYONYNQY-INIZCTEOSA-N 407.536 1.948 30 10 HDEE COc1cc(CNC(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1C#N 1564714217 PCIHROMPDXSKKE-HXUWFJFHSA-N 404.467 1.738 30 10 HDEE C#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(Br)cc1 1569673579 LJHAESNGCKVABL-ZDUSSCGKSA-N 417.267 1.157 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C1CCOCC1 1585149057 RFRSISHHSBHKGF-ROUUACIJSA-N 413.474 1.999 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CCCCCO)CC3)ccc2c1=O 1586282890 SGCSMGGXBFQCOK-UHFFFAOYSA-N 416.547 1.792 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1587921617 DACFSJFNADAIPG-YYWHXJBOSA-N 404.511 1.726 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1588127583 VZVMWNMIOIKBIN-MRXNPFEDSA-N 400.472 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(C)s1 1588185519 HRDKXJLFDDUNGU-LJQANCHMSA-N 400.508 1.601 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1588976208 RZMVCMRVHXKFBD-UHFFFAOYSA-N 418.489 1.467 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1589060424 RNDFSRKFYOJBJH-INIZCTEOSA-N 403.552 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595500946 GYUBDAODRUOBMA-IAGOWNOFSA-N 411.462 1.924 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC)C2)C1 1595665479 WRWDOPLJOSTJDQ-QZTJIDSGSA-N 402.543 1.637 30 10 HDEE CC(=O)N1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1596031608 QQTCYTKAQBAWOZ-XLIONFOSSA-N 404.490 1.873 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3c(Cl)cc(C#N)cc3Cl)C2)cc1=O 1597992246 ANQAKLZFEXMQKZ-SNVBAGLBSA-N 408.245 1.673 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1610043683 HIRLIIVHHYURGN-OPAMFIHVSA-N 424.505 1.726 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1610945729 YRHYUQBKTUASSE-UHFFFAOYSA-N 420.469 1.590 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1613009738 CJTBMNGIONWEQD-ZHRRBRCNSA-N 423.521 1.239 30 10 HDEE CC(C)n1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C2CCOCC2)n1 1616347451 PTSZFBFLWOARCW-ZZEZOPTASA-N 401.467 1.614 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1618173006 IAKKNDXAIFXYOM-VQIMIIECSA-N 408.520 1.543 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1618933773 AJHUCSWDJBDNPR-DZGCQCFKSA-N 405.480 1.112 30 10 HDEE CO[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1619510896 PUQSIOACUKJFFJ-DZHJMQLISA-N 416.526 1.963 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619536843 BYDYEWBGNAJBLP-QILLFSRXSA-N 412.498 1.015 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 1620515843 XWACADDJEGDDLZ-UGKGYDQZSA-N 416.497 1.856 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3cnn(CC4CCC4)c3)CC2)o1 1620654342 DUAZNSHDWMXISU-HNNXBMFYSA-N 411.510 1.851 30 10 HDEE C=C[C@@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 1623741115 HTPUFYXWTYOHOY-UYAOXDASSA-N 421.545 1.919 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CC(=O)N(CCC)C3)ccc2c1=O 1626821341 FFODQLGENVDOPU-CYBMUJFWSA-N 400.504 1.860 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2c[nH]c3ccc(Br)cc23)CC1 1626966962 XUHZZVAVWWWXKX-UHFFFAOYSA-N 417.307 1.367 30 10 HDEE C#CC[C@@]1(C(=O)NCc2nc(C)c(C(N)=O)s2)CCCN1C(=O)OC(C)(C)C 1627700908 XRBKESPOUHRCTP-IBGZPJMESA-N 406.508 1.960 30 10 HDEE C#CCN(C(=O)CCC12CC(CN1C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1630830524 PHYUQOCZLBYOSU-NGEICVOHSA-N 410.536 1.815 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2(c3ncon3)CCOCC2)CC1 1631479065 YCNDPAOHCZWPOM-UHFFFAOYSA-N 404.467 1.842 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCC(=O)OC)C[C@@H]3C)n[nH]2)c1C 1631772597 NIHGVCZYICBVNY-AWEZNQCLSA-N 414.510 1.785 30 10 HDEE N#C[C@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccc(OCc2ccccc2)cc1 1632344934 CYIXEHAMYFXVPS-FQEVSTJZSA-N 406.442 1.917 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)c1cccc(C#N)c1 1632736343 SBMCWUMCXRAHLO-ZDUSSCGKSA-N 403.508 1.627 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)C1 1634554773 IUUKLASPPBEQFA-DLBZAZTESA-N 403.910 1.781 30 10 HDEE C=CCCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1634947291 CLCYJLMXOVZJPZ-UHFFFAOYSA-N 401.252 1.879 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC(c2ncc(Br)cn2)C1 1636272939 HBAMBZJABVTSJJ-PEZBUJJGSA-N 406.240 1.081 30 10 HDEE N#Cc1cn(CCC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)nc1O 1636714475 CKUUHSRMNYKVHG-UHFFFAOYSA-N 424.244 1.662 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C[C@H]1CN(C)C 1637449338 HRKOBXWMDXPYNU-WOJBJXKFSA-N 412.582 1.908 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3CC3)CC2(C)C)c1 1637704072 WWSXWXMHHGOIBC-UHFFFAOYSA-N 402.516 1.957 30 10 HDEE C=CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCOCC2)CC1 1638656036 HNUOCJXATRWBPP-UHFFFAOYSA-N 400.522 1.312 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 1639968821 PDWLXLJYEZDMBG-UHFFFAOYSA-N 410.467 1.684 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CC(F)(F)CO)CC1 1640339380 PPAWLQWHWBQPCC-HNNXBMFYSA-N 418.485 1.735 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1643543506 UJMSLMDXKXSPMO-MRXNPFEDSA-N 404.488 1.928 30 10 HDEE COc1cc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)c(OC)cc1Cl 1644154295 IDEIKILSHKDSBW-UHFFFAOYSA-N 418.837 1.834 30 10 HDEE C=CC[C@]1(C(=O)N2CCN3CCOC[C@@]3(CO)C2)CCCN1C(=O)OC(C)(C)C 1645355380 OMTGJONCIWZTHG-LEWJYISDSA-N 409.527 1.238 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1646393570 VVWGATVAOKGOPS-YAJBTMAUSA-N 412.515 1.969 30 10 HDEE COC(=O)c1ccc2cc(CCNC(=O)CCN/C(O)=C3\N=CC=CC3=O)oc2c1 1647830090 IDQPTSFNHRUWJU-FMQUCBEESA-N 411.414 1.795 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](n2ccnn2)CC1 1647874933 SJFNVKVJEGNHTH-OAHLLOKOSA-N 416.507 1.351 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1648005401 PXKRSPPDFYSUSR-UHFFFAOYSA-N 422.503 1.398 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1CC(F)(F)F 1653037087 NMQKUOAUHNOCQB-UHFFFAOYSA-N 412.368 1.046 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(Nc2ccccc2C#N)CC1 1655207813 BIKVNVHASUZRMY-GOSISDBHSA-N 419.533 1.962 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 1659265806 WPTUOHHLOLCNKY-INIZCTEOSA-N 403.552 1.583 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)OC 1663037151 AMOFKPRYWPTDTF-GFCCVEGCSA-N 410.261 1.919 30 10 HDEE CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1664086505 AIRHNFFZEUWJTD-JTQLQIEISA-N 407.311 1.376 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)cn1 1664349451 UYFQOVHNNMZLOO-UHFFFAOYSA-N 423.292 1.642 30 10 HDEE C#CC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCCC1 1665164226 ZKAWBUFASRJPMA-ROUUACIJSA-N 406.504 1.888 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1665919736 HZPJIDZTIATEOL-HXUWFJFHSA-N 400.504 1.663 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](NC3CCOCC3)C2)c1 1666224782 ARYBLBZPZWFZNB-SFHVURJKSA-N 407.536 1.524 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 1669339150 KATLAWKKRNHAIK-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 1669572471 CQCNGAIUJSDGDF-UHFFFAOYSA-N 403.479 1.859 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 1671458791 GNBTVFBICSDFOP-UXHICEINSA-N 419.547 1.662 30 10 HDEE C=CCn1cc(C(=O)N(C)CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)nn1 1678447380 OZKPGVQUUUJYJN-GZXFCSGKSA-N 401.511 1.490 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1680779365 WGIKFMBPRUXXSC-HMFYCAOWSA-N 410.474 1.786 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1683007717 QEGJIJRJERKXQT-UHFFFAOYSA-N 420.466 1.703 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)cn1 1684242919 IBIZEIPOGULMNI-QGZVFWFLSA-N 419.489 1.163 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 1687342673 GQRGPWBHZXQTDU-SAABIXHNSA-N 419.526 1.978 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1689873848 ZCMKPZLIEMOBBH-UHFFFAOYSA-N 400.449 1.904 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1689988596 SFFVCENESWOPRD-WMZOPIPTSA-N 405.568 1.514 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689988693 UOOIPSIRHLOMKD-HKUYNNGSSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC(F)(F)C1 1690032985 NXVRGHYHANTLOH-HUUCEWRRSA-N 413.494 1.787 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@](C)(O)CCOC 1690051174 OYAAVNPWQVBHAT-HXUWFJFHSA-N 401.536 1.884 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1690119578 KPZYBZILYSZUTD-UHFFFAOYSA-N 403.490 1.098 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnnn1CC1CC1 1690256376 KXXLIACJGJFZAV-UHFFFAOYSA-N 422.497 1.773 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1690451753 OMYYFWGCILPTSQ-AWEZNQCLSA-N 413.544 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C)C1 1690668765 IJHCVDIWZDKSBZ-OAHLLOKOSA-N 421.505 1.731 30 10 HDEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCO1 1695160234 GQTDKQJWOSDLJD-GOSISDBHSA-N 422.493 1.911 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696893448 PFQAOJRGSLEWCF-UHFFFAOYSA-N 420.477 1.580 30 10 HDEE CNC(=O)CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1696988980 PIQXWVLBGJRZEL-FQEVSTJZSA-N 416.482 1.404 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705520090 IAICGMZTVOHXBG-LJQANCHMSA-N 424.553 1.984 30 10 HDEE C#CCCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1705521383 AHQINKLAKFNNDG-NQIIRXRSSA-N 419.526 1.075 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705524046 FHQXFYITPAQDBX-FUHWJXTLSA-N 402.499 1.727 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705532380 MVOZKQSKIINAKK-IBGZPJMESA-N 411.554 1.993 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCCC1=O 1705547428 SBHBRXCFVLYAAH-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705565145 SPHKBLWUFNZBSF-INIZCTEOSA-N 405.524 1.073 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1705583499 ZPFSOFQYGJYXST-OAQYLSRUSA-N 421.501 1.586 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705674122 AHVSZFMIHARSEV-GPMSIDNRSA-N 407.540 1.056 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(N)=O)C1 1705708251 ZYFFHXJOOGQQSN-ATIWLJMLSA-N 419.526 1.295 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O)C1CC1 1705851044 SDIXBNIMGQBGQH-UHFFFAOYSA-N 419.507 1.420 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C)C1CC1 1705854105 ISZITWNLGPOQHP-AWEZNQCLSA-N 419.555 1.730 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2snnc2C)C1 1705916404 KFYMXBXGIOAWFN-KXBFYZLASA-N 420.539 1.920 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1706751768 UEYRVNLHJUYPSK-LLGFUMIMSA-N 416.526 1.867 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CCO1 1708181110 JTANAPQIHAUORZ-OAHLLOKOSA-N 406.446 1.951 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1709153425 GVLYFOWTSSSOGJ-KBPBESRZSA-N 402.421 1.222 30 10 HDEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1711241246 XIECIMBFQURGFC-UHFFFAOYSA-N 410.478 1.986 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)C1 1712875813 IFGHHAHQFJLIEW-JJRVBVJISA-N 413.544 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1722296683 UEGWBRDZDKTOCT-JSGCOSHPSA-N 416.532 1.691 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722371717 XSZMWROJNFQUKO-YESZJQIVSA-N 408.524 1.325 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)OC 1722425043 KBKHLFBMMORNSK-OAHLLOKOSA-N 420.539 1.359 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(F)ccc2F)CC1 1722429473 MNYOWDCWHRMMIX-UHFFFAOYSA-N 414.460 1.596 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(O)cc2)CC1 1722429741 QZSFXDWXSFHKCP-UHFFFAOYSA-N 410.522 1.706 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOC(C)C)CC1 1722436091 WLHRWPMFFHXBGS-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2CCN(CCN(C)C)CC2)CC1 1722439551 GTQPIWHNBWDPGM-UHFFFAOYSA-N 413.614 1.259 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722619648 CNSSDPSNDPZFLG-KXBFYZLASA-N 414.510 1.625 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722635994 CHADAVNCCXPUAA-HNNXBMFYSA-N 405.524 1.857 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722737916 VLCKVYBGBWPTNM-QGZVFWFLSA-N 417.583 1.756 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1724057303 PLRVSMAYMKLINA-HZPDHXFCSA-N 414.466 1.232 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(C)=O 1726998895 AYKTVIADPVPVGJ-MRXNPFEDSA-N 410.526 1.911 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1729221110 SMOACKCJTMIYMK-INIZCTEOSA-N 410.544 1.241 30 10 HDEE CN(CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1729524860 WJUBDGDQDDVZSB-LSDHHAIUSA-N 416.448 1.785 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1729592005 FOOSPDKSPNULSS-KXBFYZLASA-N 400.870 1.806 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1740530983 CMTYKTLHKNJNJM-HOTGVXAUSA-N 404.478 1.842 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1740539482 SXFOHGULJWJIMM-IPJJNNNSSA-N 419.570 1.745 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740675791 IHHCLUPFXXIUHQ-QGZVFWFLSA-N 417.535 1.888 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740715668 DLCTXMNWMXLUMR-HUUCEWRRSA-N 404.540 1.091 30 10 HDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1740717597 WUXXUBQFSLVEGH-HNNXBMFYSA-N 415.585 1.070 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1740724799 DGGYMWGIISPRKE-BHIFYINESA-N 417.554 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740756437 HTNVBNUAIHOVRQ-LDBYXDLTSA-N 411.510 1.679 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)C(=O)NC 1740763215 ZPPJRUKAWNDEHR-BDXSIMOUSA-N 405.543 1.972 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740793162 GNIMGZCYDRKXKJ-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)C1 1740980352 JELFEGPCOQYCFZ-VAMGGRTRSA-N 419.570 1.920 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC=C)C1 1740981883 QWFGDAZGXDKOTJ-HOTGVXAUSA-N 412.581 1.881 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)C1 1740985333 FQVSRTAOSWPJLV-DLBZAZTESA-N 405.499 1.160 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1741004745 LGPPQSCJOCSHDC-HNAYVOBHSA-N 409.556 1.551 30 10 HDEE Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1742070397 AAJZFSILDAOKSM-LBPRGKRZSA-N 424.556 1.227 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1744123801 CTYPEDOIBGSYSV-IRXDYDNUSA-N 403.508 1.865 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)O1 1744205042 UIWZDKMEXZNOFD-JXXFODFXSA-N 402.499 1.591 30 10 HDEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748698678 IQTLKVNYRBDXKZ-INIZCTEOSA-N 400.527 1.522 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1748710272 LPFCUQAITPMGNX-QGZVFWFLSA-N 408.510 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)COCC 1748892730 WCUBPAUXAZEZEG-QGZVFWFLSA-N 406.552 1.706 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC2CCN(CCN(C)C)CC2)CC1 1748973069 WNFDNQJQSPKUEH-FQEVSTJZSA-N 415.630 1.820 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1 1748980122 ZYRBESZALWRLTH-SSEXGKCCSA-N 422.558 1.873 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)COC)CC1 1748984153 HAECYZCPEJWCMK-KRWDZBQOSA-N 413.522 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(COC)CCC2)CC1 1749009631 UJZKZHOVKYNJSM-UHFFFAOYSA-N 423.521 1.518 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)NC)CC1 1749016027 WVELNVJQYPXJTB-UHFFFAOYSA-N 400.527 1.113 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1749097669 GZWJCWUCDMOTBS-NWDGAFQWSA-N 421.303 1.608 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749139112 BJAHZZPMRLVZNY-UIBIWLFHSA-N 405.499 1.731 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)C 1749595845 LBTLRLUWQZQUMJ-UHFFFAOYSA-N 409.494 1.858 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCc2ccccc21 1749597945 QVHPKWMRCLCIOP-GCJKJVERSA-N 411.506 1.702 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749651446 VNCADAFFGYSUHZ-KGLIPLIRSA-N 416.457 1.171 30 10 HDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@H](C)C#N 1749714193 ACXFFOKEDQCDBR-OAHLLOKOSA-N 420.539 1.828 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCS(=O)(=O)C1 1750117760 DBCOKBSXDMBASF-FZKCQIBNSA-N 411.528 1.033 30 10 HDEE CC(C)COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1750862489 IEXQEKYISBIPEJ-MRXNPFEDSA-N 413.482 1.717 30 10 HDEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1751660043 HJTZAUPIYRUKFJ-DNVCBOLYSA-N 403.508 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1760126857 KWMDOUFCVRWSKF-RHSMWYFYSA-N 403.508 1.478 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCc1cnn(C)c1 1760193336 FDHNICOJJKJDRQ-UHFFFAOYSA-N 402.462 1.365 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCCN1CCC[C@H]1CO 1760218721 LVBZHDCCUZSMCC-RTWAWAEBSA-N 413.566 1.872 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CC2(CCOCC2)C1 1760242471 DPHQUFPMWUUUHV-UHFFFAOYSA-N 403.527 1.709 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CCN1CCCS1(=O)=O 1760245416 CGKFHUJSOUJABC-UHFFFAOYSA-N 403.508 1.067 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760279290 YBNGBPFXMMVQSV-SJLPKXTDSA-N 415.567 1.202 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1760357972 PWXHETKVBKQMLQ-QFBILLFUSA-N 410.540 1.390 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1760462006 NSZBRKUBRZDTKR-FQEVSTJZSA-N 423.565 1.669 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)nn(C)c1C 1760500527 MQCGMRLJECFTPI-UHFFFAOYSA-N 401.515 1.552 30 10 HDEE CCC[C@H]1CN(c2nnc(COCC)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763983355 UQFHAFLAIZBKOW-MJWGMMHASA-N 418.498 1.346 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1767061783 DVORHVSKARFBQB-SFHVURJKSA-N 424.505 1.669 30 10 HDEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1)OC 1769264034 CBGUCCFZAOCAFR-OGNFBWPZSA-N 407.515 1.794 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1770360737 QETAPFDNALFENL-WBVHZDCISA-N 400.508 1.745 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC(F)F)CCN1C1CC1 1770748429 OLXFJGHRHQCJDF-CABCVRRESA-N 423.468 1.078 30 10 HDEE Cc1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1 1849779647 UZXZSKNTTFMKBJ-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE N#Cc1cnn2c(NC(=O)[C@H]3CN4CCN3CC4)c(-c3ccc(Cl)cc3)cnc12 1852623468 DNZIRCMDSOIGEY-QGZVFWFLSA-N 407.865 1.860 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C[C@@H]4CCCO4)C3=O)CC2)CC1 1853733333 VCSGBLQDBAHFIC-RBUKOAKNSA-N 416.522 1.157 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1853847823 XUUYVAMKSHZXML-SFHVURJKSA-N 419.547 1.824 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1853882601 VESRDHAIEMEADG-GJZGRUSLSA-N 403.483 1.177 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCCc4nccc(OC)c43)C2=O)CC1=O 1854483060 CNTZANSSYQZJMR-NVXWUHKLSA-N 412.490 1.395 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1=O)CC2 1855036025 VWJDZQQKWNZPNP-RDJZCZTQSA-N 405.458 1.451 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(CCC)cc3)C2)CC1=O 1856901546 DMVNTFDVESOCRE-DLBZAZTESA-N 422.503 1.521 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)C[C@@H]4CCCO4)C3=O)CC2)c1 1857020396 WKLSYNNVKFMIDO-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC3CC(F)(F)C3)C2)CC1 1857034216 OGMGZKPJWKBRGK-AWEZNQCLSA-N 403.451 1.362 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3onc4c3CCCC4)C2=O)C1 1857103100 BXTQYHGMMDZPPP-QGZVFWFLSA-N 407.430 1.324 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)CC1 1857295280 KZAOGTWCJVMLGK-SJLPKXTDSA-N 416.522 1.856 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874280524 URDDGUYFLXHVMT-NPNVKNKFSA-N 419.507 1.770 30 10 HDEE COCc1nnc(SC)n1/N=C/c1ccc(OCCN2CCOCC2)c(OC)c1 1874498974 HYBBMHLVNGCIMN-DEDYPNTBSA-N 421.523 1.748 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889642861 WCKRALBSDUIJCC-DUXKGJEZSA-N 412.559 1.785 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC[C@H](O)Cn3ccccc3=O)n[nH]2)c1C 1890687027 IVGGBPIULMPYOS-INIZCTEOSA-N 410.478 1.419 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1892316234 GTKJTMKEOLITFK-UHFFFAOYSA-N 420.539 1.620 30 10 HDEE CN=c1nc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(Br)c[nH]1 1914900933 HTRAXBVKNLNKRN-CQSZACIVSA-N 415.295 1.553 30 10 HDEE C#C[C@@]1(O)CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 1984760550 VVDGUPAPAJGXKQ-DHIUTWEWSA-N 413.518 1.752 30 10 HDEE CC#CC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O 1984846655 WUSINBOIDAEIEV-GOSISDBHSA-N 417.506 1.996 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985178134 GYWMDMWNPBODIW-GUDVDZBRSA-N 414.506 1.763 30 10 HDEE CC(C)(C#CC(=O)NCCN(CC(=O)O)Cc1ccccc1)NC(=O)OC(C)(C)C 1993921269 NWKFJVCYZICJQK-UHFFFAOYSA-N 417.506 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2010402100 MIGNBCMVPZBFKO-KBPBESRZSA-N 422.331 1.766 30 10 HDEE C#CCCN1CCC[C@@H](COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)C1 2086865134 OOQCFSYTTCJADW-DNVCBOLYSA-N 423.469 1.202 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174788124 BBNTWOMIKGZUSW-IYJVBRSBSA-N 420.557 1.574 30 10 HDEE C[C@@H](NC(=O)C1(C)CS(=O)(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186630315 DHFDUEFGCOWWEH-SNVBAGLBSA-N 400.331 1.054 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@](C)(CN)[C@@H](C)S(C)(=O)=O 2194761240 MIUPKAZSFJKINT-BEFAXECRSA-N 401.573 1.472 30 10 HDEE Cn1c(Br)nnc1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2199701409 AZXSJANBSYRVCJ-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE CC1(C(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)CS(=O)(=O)C1 2241126197 PHPKSWYIANCPTO-UHFFFAOYSA-N 400.693 1.407 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 2242595865 LGXZGYGVEHVYDS-JLTOFOAXSA-N 402.403 1.767 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2243428510 MUBFIXHIASJWNU-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258156777 OQUSFQZBZJQUEE-DLBZAZTESA-N 408.476 1.176 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258176182 BNQDKKGRYZVYEX-HOCLYGCPSA-N 409.464 1.321 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2267358038 WNPSXTUOVKKDIC-JTQLQIEISA-N 406.766 1.683 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@H]4COC[C@H]43)cc2Cl)OC1(C)C 2267703278 UBBKULMRTPFBLD-BZBKMWRSSA-N 405.734 1.624 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282030213 BZGQRTAQYCODKA-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)s1 2282062110 UBQBBINXBPPERN-VXGBXAGGSA-N 401.359 1.907 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282180904 YSEIRXFQEVBQCD-GOEBONIOSA-N 402.300 1.994 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CN)C1 2282332320 ZDXOOHNTJWJQQE-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CN(C1CCC(O)CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338750 SZCIFLQNQRFYBC-UHFFFAOYSA-N 401.359 1.971 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCC1 2282492606 RWERBYOUNQOZOH-VWLOTQADSA-N 419.399 1.627 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499967 GYYGESAGTQGYIL-QWHCGFSZSA-N 418.415 1.170 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](N)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282501693 ALMOTCMMTNWOHI-CYBMUJFWSA-N 402.391 1.926 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@H]2CO)OC1(C)C 2282502174 HKEYVQNKJYBQQH-NWDGAFQWSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@](C)(=O)CCCCN)OC1(C)C 2282502849 QNXRFCSITAKPSL-VWLOTQADSA-N 422.403 1.573 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@@H](O)CCO3)sc2Cl)OC1(C)C 2282626750 DMENJYCTAUZLKS-QWRGUYRKSA-N 401.721 1.970 30 10 HDEE C[C@H]1CO[C@@H](CO)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282640782 RSFBWYWWBBVUHY-WDEREUQCSA-N 401.721 1.923 30 10 HDEE CN(c1nccnn1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835363 SUJMATJYCWMDST-UHFFFAOYSA-N 416.721 1.711 30 10 HDEE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282850328 NPMPNZNJEFEPNL-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE CC1(C)CCN[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282861581 PWMJFTTUBOQDNL-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE C[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395319 KDEXWCYHABBCOO-CMPLNLGQSA-N 401.315 1.531 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284405786 PKWUHXWWUMRSRG-PWSUYJOCSA-N 401.315 1.282 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406115 UHQNJYWNBWAQCE-ZWNOBZJWSA-N 403.331 1.825 30 10 HDEE C=CC[C@H](O)[C@@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314225023 IKCXZDQSWKVNGS-IRXDYDNUSA-N 406.504 1.650 30 10 HDEE COc1cccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1 2318436456 POQNNWDSKAGUMW-UHFFFAOYSA-N 418.457 1.937 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)N(CCC#N)CC(F)(F)F 2335426812 WPIFQDGSMADXFU-JTQLQIEISA-N 401.407 1.229 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367794202 GQMSCWRUVMSRLW-UGSOOPFHSA-N 401.481 1.436 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2367822939 XVSSIFCPBWXMGH-HNAYVOBHSA-N 400.541 1.307 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)N1CCc2ccccc2C1 20915816 GPLRABHNJBCIMA-SSDVNMTOSA-N 423.502 1.821 30 10 HDEE CCOC(=O)c1ccccc1S(=O)(=O)/N=C(\O)Nc1nc(OC)cc(OC)n1 39011104 LOTWAFIVDZLUEI-UHFFFAOYSA-N 410.408 1.385 30 10 HDEE in-vitro Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCc2ccc(F)cc2)n1N 59914465 QNAHYXILIUXALI-AWQFTUOYSA-N 404.475 1.675 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCC#Cc3ccc(C(=O)N(C)C)cc3)CC2=O)cc1 96348393 HHOFGTBPXDJJPJ-IBGZPJMESA-N 419.481 1.918 30 10 HDEE CN1C(=O)/C(=C/Nc2cc(Cl)cc(Cl)c2)C(=O)c2c1n(C)c(=O)n(C)c2=O 106595337 BTRNNVYQQHNZHB-YRNVUSSQSA-N 409.229 1.546 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)CCS(C)(=O)=O 405075420 HEONIDIYIGCLLZ-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 409512857 KNZFATMFOZDYLP-MRXNPFEDSA-N 422.486 1.095 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CCO1 410137850 BQWGBDUUILWXNL-MRXNPFEDSA-N 419.532 1.854 30 10 HDEE COC(=O)CCNC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427099739 HYGIABYKZQFRHE-UHFFFAOYSA-N 402.432 1.355 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 479873155 JVVBQHJRMCHDSA-RTBURBONSA-N 400.498 1.959 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 483099852 FKGCDQBDZDITEW-GJZGRUSLSA-N 424.486 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 484759063 XWFPDDQXVZUWFD-SVFBPWRDSA-N 416.522 1.241 30 10 HDEE Cn1nc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc2c1=O 485993230 UUFOCZDPRDIDQM-IBGZPJMESA-N 415.453 1.265 30 10 HDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 486833076 JIIPBSQCESYRSY-UHFFFAOYSA-N 419.406 1.854 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC=C 491608942 CQIYWWYYCOUAGP-UHFFFAOYSA-N 422.535 1.819 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4ccc(C#N)cc4[N+](=O)[O-])CC3)C2=O)n(C)n1 505818039 GYDKXWMMIHVKFG-SFHVURJKSA-N 423.477 1.826 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598090 BSCGAMANNXFYBE-UHFFFAOYSA-N 414.531 1.450 30 10 HDEE CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546185033 UKZWAAZHKDYYBV-UHFFFAOYSA-N 401.448 1.935 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 554303188 SJQOJHZNBZJWID-INIZCTEOSA-N 405.524 1.462 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCNCCN2CCN(Cc3ccccc3)CC2)c1 554798025 JUCRCJTWOXGNSP-UHFFFAOYSA-N 412.559 1.739 30 10 HDEE Cc1ccn2cc(CNC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)nc2c1 569633920 BEAXQYCNYSJZKR-UHFFFAOYSA-N 402.458 1.738 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)CCS(=O)(=O)c2ccccc2)CC1 585227046 JPYJMIVNUXKGJJ-UHFFFAOYSA-N 413.503 1.545 30 10 HDEE N#Cc1ccnnc1N1CCN(c2ccc3ncnc(O[C@H]4CCOC4)c3c2)CC1 585565207 GKWKVKCFTCPKQR-KRWDZBQOSA-N 403.446 1.786 30 10 HDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC2(C#N)CCCC2)c1OC 585705027 BHVYNNJEKVNHMI-UHFFFAOYSA-N 423.491 1.291 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 589428357 LXVGCNRWLHLVHF-MRXNPFEDSA-N 401.492 1.288 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C#N 603999974 JWNYVDCJDZYMQW-UHFFFAOYSA-N 416.462 1.028 30 10 HDEE CS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604077678 UPNPXAPYTYEZRK-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(O)c(F)c2)CC1 610026803 GVRPTTJYAHDXOM-UHFFFAOYSA-N 418.450 1.619 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c(F)c1 610656932 XZZHBCYEKVFMCY-UHFFFAOYSA-N 424.432 1.861 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804566 JTKHIQJEFATLPE-PXNSSMCTSA-N 409.538 1.905 30 10 HDEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 671666082 HEGJYKPOOXAWFP-CQSZACIVSA-N 422.532 1.604 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc(O)n3CC)CC2)c1 675609125 MZWHCBUHXUARSO-UHFFFAOYSA-N 419.507 1.488 30 10 HDEE Cc1nc(I)c(I)n1C[C@@H](N)C#N 725537984 WDLREZLQKWFQEP-YFKPBYRVSA-N 401.977 1.252 30 10 HDEE COc1ccc(-n2cnn(CN3CCN(c4ncccc4C#N)CC3)c2=S)cn1 728896037 AGNRZDRSRKCBIQ-UHFFFAOYSA-N 408.491 1.853 30 10 HDEE C#CCN(C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)[C@H]1CCS(=O)(=O)C1 729333054 JIHVALDRYGKVKK-KRWDZBQOSA-N 412.467 1.840 30 10 HDEE N#C[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CCN1C1CC1 732652127 NXLMPIUKCXEGSR-INIZCTEOSA-N 422.576 1.664 30 10 HDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732663699 CNJPWAQEOZHCJT-KBPBESRZSA-N 421.479 1.238 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3cnn(CC)c3)c2=O)cn1 735068102 DGORWGHRZSZMOD-UHFFFAOYSA-N 424.530 1.450 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 736329072 CWURVRCFPBLRCQ-AAEUAGOBSA-N 403.909 1.474 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCN1C1CC1 743909213 ULOSKJFLJKPDIC-LLVKDONJSA-N 413.222 1.865 30 10 HDEE COCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1ccnc(C#N)c1 747008861 YMSYOIOFWLRLOQ-JOCHJYFZSA-N 420.425 1.622 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755049146 RTVOMTLMJYYWMG-UHFFFAOYSA-N 420.519 1.266 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 758910750 GCXBAVQQDWKQDA-QGZVFWFLSA-N 420.516 1.616 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)n1 760984348 YMAFUWGMOXZLHL-UHFFFAOYSA-N 400.389 1.702 30 10 HDEE CC(/C=C/C1=C(C)CCCC1(C)C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771898843 VCIBLRCUHRRNKM-SHBNEXFISA-N 408.524 1.821 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(C#N)ccn2)C1 774406029 LKHYRDDVYGEXTJ-OAHLLOKOSA-N 401.467 1.446 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 780669575 HNLXYLKWJFTHIS-KRWDZBQOSA-N 423.558 1.405 30 10 HDEE C=CCOCCNC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 780810960 VNTYBAYNTIXEKR-UHFFFAOYSA-N 418.471 1.826 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 780892374 GOLNEAXNHRBENQ-QFIPXVFZSA-N 404.470 1.325 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1C#N 785608297 ZYVDELZXHHGPKL-IBGZPJMESA-N 421.432 1.961 30 10 HDEE COc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cnc1Br 788349659 RCHMWIRWMGLBQL-UHFFFAOYSA-N 410.249 1.984 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)n1 788818190 HUYHLZJICDNUTR-KRWDZBQOSA-N 412.465 1.992 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC([C@@H]3CCOC3)C2)c1 791766636 BPLNXYMKNOSVSN-DCKJRJMFSA-N 406.508 2.000 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)ccn1 795971507 XWYGKEIIHICJSP-QGZVFWFLSA-N 405.476 1.458 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(C)nn(Cc3ccccc3)c2N)n1 803260677 SZTOFHUPILXRCF-UHFFFAOYSA-N 406.490 1.941 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 803647793 SBYCPPGLSQNSJI-OAHLLOKOSA-N 420.535 1.413 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809927871 GBBHGNYWCBQCDM-OXJNMPFZSA-N 419.551 1.605 30 10 HDEE CCc1ccc(C(=O)OCc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 813167554 OFGVEHIUXUHWBH-UHFFFAOYSA-N 415.471 1.894 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)OCc1ccccc1 814285418 UVIHYZTXAUGKFN-SJCJKPOMSA-N 408.863 1.983 30 10 HDEE Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1 816692858 XHHSNQROQKTTOZ-KRWDZBQOSA-N 403.460 1.824 30 10 HDEE Cc1ncc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c(N)n1 819761023 LVDAQYOOFNGMCA-HNNXBMFYSA-N 416.507 1.137 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(S(N)(=O)=O)cc2F)cc1 863998337 RKSRQHGODJAMDX-UHFFFAOYSA-N 413.496 1.892 30 10 HDEE COc1ccc(CN(C(=O)CC2(C#N)CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc1 1124965298 LQOADCQLZOWTPB-QGZVFWFLSA-N 406.504 1.921 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1c(C#N)nnn1Cc1ccccc1 1130753422 HTHKFQKQQIVNQE-UHFFFAOYSA-N 412.450 1.232 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O)n1cnc(C#N)n1 1133009210 XEXYJCSIMAPNRJ-NOZJJQNGSA-N 403.240 1.543 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)COc3ccc(C#N)cc3)nn2)C1 1133300427 AOMIGXSDZOTYAF-UHFFFAOYSA-N 412.450 1.637 30 10 HDEE C=CCN(C(=O)c1cc(Br)cc2nc(O)[nH]c12)[C@H]1CCS(=O)(=O)C1 1142059119 APWRXBOUAMJSRQ-JTQLQIEISA-N 414.281 1.846 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)Cc3nc(C4CCOCC4)n[nH]3)CC2)c1 1143184565 VGHQAXKSHSUDQV-UHFFFAOYSA-N 422.489 1.990 30 10 HDEE CC(C)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1148130441 MOAYGVGCRDPKIN-KRWDZBQOSA-N 406.552 1.742 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1156592134 OXPGDCFZKFFFJM-KRWDZBQOSA-N 414.506 1.485 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1OC 1157033150 UAOFZRIMGONKEY-SOFGYWHQSA-N 406.464 1.252 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 1157446901 RRUJNCRJSOMASV-DVSFIDLUSA-N 417.487 1.291 30 10 HDEE CO[C@@H]1COCC[C@H]1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1159247644 IXSZWPSVUZPNPA-DOTOQJQBSA-N 423.535 1.453 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1163383149 CBYOHHWRDMWSLD-HUUCEWRRSA-N 417.510 1.809 30 10 HDEE Cc1cnc(C2(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCOCC2)[nH]1 1179143527 OUHNDAPGZSDAAO-CQSZACIVSA-N 417.491 1.079 30 10 HDEE Cc1c(C#N)c(=O)n(CCOC(c2ccccc2)c2ccccc2)c(=O)n1CCO 1189976842 AJOILBWNFLNMDX-UHFFFAOYSA-N 405.454 1.989 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 1203391479 GYBNMYBXIRXMGL-MRXNPFEDSA-N 419.551 1.616 30 10 HDEE Cc1cc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ncc1C#N 1208078623 GCTTYDOINQFVHM-KRWDZBQOSA-N 422.493 1.679 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](CCC(N)=O)C1 1209151342 DXHHYXDBDKGOGP-NSHDSACASA-N 400.298 1.987 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1227632597 ONUWSQFQRZRGCG-LJQANCHMSA-N 420.473 1.363 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1230195705 PSPZXQKWJNRAAX-CQSZACIVSA-N 410.478 1.393 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1252508254 RDKGAQGCFYGUMT-INIZCTEOSA-N 404.536 1.741 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286349800 OSLROULYKYHZPX-MRXNPFEDSA-N 421.567 1.335 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCN1CCCC1 1286371023 XUZWSUYTIDRBSH-UHFFFAOYSA-N 415.567 1.794 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286450083 BYSYLCHSEQUUMD-CYBMUJFWSA-N 410.569 1.664 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccc(F)cc1 1286464618 CNIAJYPGCBZQLJ-DYESRHJHSA-N 415.469 1.362 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286788101 QFQWXKIFTBXBEV-KBPBESRZSA-N 416.448 1.157 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)NC3CC3)CC2)cc1 1286795724 DVJQCIPGBMZJIH-UHFFFAOYSA-N 424.549 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C#N 1286823888 ZRWSXWJZPDUQFZ-ZDUSSCGKSA-N 408.553 1.831 30 10 HDEE CC(C)CCN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1287579501 GRFWNSWWVSOCIQ-ZPHPHTNESA-N 412.498 1.687 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1289342755 BGQKVRAVJBIUPV-IBGZPJMESA-N 424.505 1.729 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1292132465 BIVYYCAEYHDTSK-SFHVURJKSA-N 412.494 1.466 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)Cc3ccc(O)cc3)ccc2c1=O 1295509680 WKKJHUCVMUXOCY-OAHLLOKOSA-N 411.483 1.910 30 10 HDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1298155922 MSAPEFGSGHRYHX-GFBZJKCLSA-N 416.482 1.271 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1300519958 BOVDYRPXMGQPRN-UHFFFAOYSA-N 402.458 1.172 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1300631098 LFUKVTIVLCFDMY-UTKZUKDTSA-N 414.531 1.474 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1300631111 LJZOJFAZFPOEOD-KRWDZBQOSA-N 400.479 1.670 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1300648882 QMLIFXGXHQJMAZ-IAGOWNOFSA-N 410.453 1.287 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCCC1(C)C 1300654230 VONBBHBVLPGWPT-VXKWHMMOSA-N 420.554 1.957 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS2)CC1 1300685097 GHEYJQAWPYAFSE-NQIIRXRSSA-N 419.595 1.970 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1300763775 SHRJBKWOYWTUQE-KBPBESRZSA-N 400.595 1.488 30 10 HDEE COC[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1300967318 CZBVFLKPIOAPAE-GJZGRUSLSA-N 423.477 1.203 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1301426196 PLORCQSYTNVSAA-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301499130 YKCSFXIVHIAPOZ-IKGGRYGDSA-N 416.526 1.174 30 10 HDEE COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301835043 KCXBRGFTVCYSOF-HZPDHXFCSA-N 412.498 1.195 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NOc3cccc(C#N)c3)CC2)cc1 1302372118 UXQPPEAEAIZQCX-MDZDMXLPSA-N 406.442 1.882 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)Cc1c(C#N)cccc1[N+](=O)[O-] 1307796608 CHDWFGQSZGAVFB-UHFFFAOYSA-N 403.464 1.682 30 10 HDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1308041801 YQKQMFOZCSLNBS-KNQAVFIVSA-N 418.513 1.582 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O 1316101293 GZCICCWBRVCLFZ-OAQYLSRUSA-N 414.485 1.853 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cc1 1316298110 SRNYSWINXKORHI-JQHSSLGASA-N 401.442 1.918 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CCO1 1316539668 FPJLGFXRMSTXLZ-HOCLYGCPSA-N 421.910 1.611 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1351586440 OXUXLVZMWHWCEH-IDZOXIJSSA-N 402.399 1.836 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@]2(CCOC2)C1 1358933703 BRTGSQBGZIYUOC-HXUWFJFHSA-N 415.519 1.679 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358956734 JZPANLWFNXKNJW-MSOLQXFVSA-N 405.568 1.680 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358961241 UYEGYIDLQRBIFP-UZLBHIALSA-N 419.551 1.461 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1358965778 BACOSAIAOULFBO-INIZCTEOSA-N 421.567 1.020 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCC(=O)NC 1358974517 IJGRCQKWDAJIDM-UHFFFAOYSA-N 400.280 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC 1358974807 RXGPODZFUBMGBE-UHFFFAOYSA-N 400.460 1.181 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C 1359024626 RDOWARZOCIGDKE-IBGZPJMESA-N 416.547 1.817 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCO[C@H](C)C2)CC1 1359037931 DOHFLLGSWKSWBU-MOPGFXCFSA-N 414.554 1.361 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1359062745 RBGCGFVJASZAJI-JKSUJKDBSA-N 408.549 1.123 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359149455 AMCVNYNHLRHCTR-OAHLLOKOSA-N 410.950 1.776 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1359197424 OSNQIFFIMFJFGI-UHFFFAOYSA-N 410.526 1.987 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1359235906 RSWMFVFIHLRQFE-LJQANCHMSA-N 422.507 1.134 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1)C1CC1 1359246959 PQLPDELLVSOJAE-MGPUTAFESA-N 419.551 1.951 30 10 HDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359247663 LFAPHGRNELFBRD-FQEVSTJZSA-N 413.503 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC2CC2)CC1 1359331665 FLLWVGWVPVZTMD-SFHVURJKSA-N 423.583 1.305 30 10 HDEE C#CCN(C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1)[C@H]1CCS(=O)(=O)C1 1359871987 WPFCELOBDOVYDE-IBGZPJMESA-N 411.483 1.525 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c1 1441767168 QPYUXMMYNKRCIM-HTAPYJJXSA-N 415.490 1.825 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1451214031 BBRGJFLWAJYREI-MENFKHAKSA-N 407.536 1.805 30 10 HDEE CN(C)[C@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1(C)C 1452115638 IZBJRXYDSCOURI-OALUTQOASA-N 418.563 1.804 30 10 HDEE C=CC[S@@](=O)(=NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1)c1ccccc1 1456893732 HMVRBHSJUFDTIV-NDEPHWFRSA-N 404.448 1.933 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H](C)O1 1460415331 KMQOBQXMVZEPQH-ACJLOTCBSA-N 414.462 1.819 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1463794904 LSWNRWDLQMZDMB-SFHVURJKSA-N 418.505 1.988 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)C1 1466377444 TYEIXYQKHJQIJC-RYPNDVFKSA-N 400.397 1.776 30 10 HDEE COc1ccc([C@H](CO)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470032197 FQPOEJXWBBPNAZ-FPOVZHCZSA-N 422.485 1.743 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1471536500 XQFOKDFUSQDBAH-CYBMUJFWSA-N 412.416 1.803 30 10 HDEE CN(C)CC#CCNC(=O)N[C@H](CO)c1ccccc1I 1471629044 DKGPCCMWMVGALD-CQSZACIVSA-N 401.248 1.189 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)cc1 1471908037 IQHWUABVXYOONQ-LJQANCHMSA-N 407.492 1.502 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3C[C@H]4CCC[C@H]4C3)CC2)cc1 1472444769 VIUIBGGDZKZVSM-HDICACEKSA-N 402.520 1.722 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1492589169 YPXKINXMUQUHJE-MSOLQXFVSA-N 408.506 1.821 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1503256967 AIKIUVFIJDFBCH-HNNXBMFYSA-N 415.523 1.690 30 10 HDEE COCCN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1504848133 OUCJTJVTBOAUMD-VHEBQXMUSA-N 402.499 1.620 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1507594696 IDZQGJHVQGGWRU-AZUAARDMSA-N 416.570 1.607 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(CC)CC 1507612017 BKBJILSIFJYBQM-UHFFFAOYSA-N 400.483 1.724 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507641203 ANTIQMFMCFOCSU-QFIPXVFZSA-N 422.489 1.405 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccc(C(F)F)n1 1507659232 OMWWDYVTTOPIDQ-YOEHRIQHSA-N 416.432 1.851 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CC(OCC)C1 1507660867 FTUGQPLWVPGZFI-FQUBMZHMSA-N 416.522 1.323 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1507666998 JEOAZXDRXFYCFZ-SFHVURJKSA-N 422.464 1.261 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CCC2)CC1 1507724278 BHIVHDXGXRWZGT-UHFFFAOYSA-N 414.535 1.063 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507725287 SEXYBXIGFRDSEU-HXUWFJFHSA-N 424.597 1.302 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1508075160 OTSWPTJWVQXGIV-RTBURBONSA-N 417.602 1.699 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1508158677 IHZJXJTZFRVGAS-UHFFFAOYSA-N 420.583 1.638 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1508420429 SVCUBSZPKBYJDN-ZDUSSCGKSA-N 415.889 1.763 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC 1534590912 BTSKYWNOOBIBRS-DNVCBOLYSA-N 419.503 1.676 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1539345568 VCXQOICJRBBNBH-HXUWFJFHSA-N 405.499 1.621 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1539361846 GWHSJBNLRAGKEE-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539463198 XANNHLSKGVDCGT-WCIQWLHISA-N 417.554 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CCOCC2)CC1 1539482620 VRLPCMSJOUKGPJ-SFHVURJKSA-N 401.511 1.174 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C)C1CC1 1540108592 KHILVBOXVGHLLK-INIZCTEOSA-N 423.583 1.446 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](CNC(N)=O)C3)CC2=O)cc1Cl 1540834632 HORJNMGZLCMHFV-JSGCOSHPSA-N 403.870 1.471 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540870627 RLLSDQVOKBOOTQ-FGTMMUONSA-N 420.558 1.020 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1541112473 HVLRZJOGHCFXKC-GDBMZVCRSA-N 405.466 1.454 30 10 HDEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1541759274 AOCZYGAGLFNEQG-UHFFFAOYSA-N 418.523 1.323 30 10 HDEE Cc1ccccc1OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1542779125 XQHWDZGBZVEHOE-SJORKVTESA-N 410.478 1.736 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1543462456 MITGFCDQIGUQDL-MAUKXSAKSA-N 423.491 1.683 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)CCN3C(=O)CCNC3=S)CC2)nc1 1545892809 BQJKBWYEFJJKGH-UHFFFAOYSA-N 401.492 1.256 30 10 HDEE COCCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1COC 1548401373 GNQZPJIVDKRBPJ-INIZCTEOSA-N 415.412 1.904 30 10 HDEE COCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1555306699 YDUNYVIQHZHJRF-UWJYYQICSA-N 419.526 1.864 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccco2)c1 1555986828 CBYVECRLQFUKQM-UHFFFAOYSA-N 406.446 1.929 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OC 1558381726 LTFMCANPRJCIKS-OAHLLOKOSA-N 424.475 1.105 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CC2)cn1 1564724049 NRPFQZHLXJLVFX-UHFFFAOYSA-N 418.457 1.471 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1587639387 LEWHCFKUJVTHBF-HRCADAONSA-N 405.524 1.534 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1587909630 PHDFCBRJPVIIFR-CYBMUJFWSA-N 411.915 1.690 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588262483 FHWRXXZVFPFDDW-CQSZACIVSA-N 416.448 1.139 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1593741353 NBFKRUHKYKXASQ-SFHVURJKSA-N 413.526 1.881 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1594003508 BYYXDAHBMUWZCS-FZKQIMNGSA-N 408.890 1.697 30 10 HDEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)CC1 1594097012 LAZKNSYQKVCPMA-KRWDZBQOSA-N 404.492 1.992 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCN2CCCS2(=O)=O)CC1 1594229942 WPDFVJSSKIJLBM-UHFFFAOYSA-N 403.512 1.173 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1594923981 YEFIIHMRYADMTQ-UHFFFAOYSA-N 413.478 1.621 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1595228460 CVXJLGKHKROYFQ-UTKZUKDTSA-N 401.511 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595778321 XTWHQBGWQIZPFG-GOSISDBHSA-N 417.535 1.651 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595796768 BZDXEECNJQDSHM-HNNXBMFYSA-N 422.511 1.416 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1607581903 KYWRKBCTLPSLEV-QRVBRYPASA-N 418.542 1.258 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)C1CCN(C)CC1 1611144748 CPCJYAWLOXDTDX-UHFFFAOYSA-N 421.563 1.895 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1613009730 CJTBMNGIONWEQD-AOMKIAJQSA-N 423.521 1.239 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C 1613594235 DTCNJILGHGPQIK-NBQZKYEYSA-N 404.515 1.476 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1616870273 KPQIIDWRSMTINA-OALUTQOASA-N 414.524 1.099 30 10 HDEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N(C)Cc1ccc(C#N)cc1 1617394136 BTZMUTCMDLDEPQ-UHFFFAOYSA-N 404.540 1.924 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C)cc1 1619321898 AQBUOWLQPMMCRY-CRAIPNDOSA-N 400.483 1.545 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCC(F)F 1620083076 QHLPBKYCUXVFPP-XUJVJEKNSA-N 400.430 1.122 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN[C@@H](CO)c1ccccc1I 1620653871 RFSCHOLLMAMJPZ-DOMZBBRYSA-N 415.275 1.922 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C1CCOCC1 1622380046 PIPFCHSCRAZLJB-MRXNPFEDSA-N 418.512 1.683 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Nc3ccccc3OC)cc2)CC1 1623499086 PESDGXAYVJAOIT-UHFFFAOYSA-N 406.486 1.946 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2nccn2C(F)F)CC1)C(=O)OC(C)(C)C 1625810639 XMITYYFZXFWOMG-UHFFFAOYSA-N 411.453 1.793 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC#CCO 1626174101 KBZPBZDMMZUEFV-SFHVURJKSA-N 406.529 1.352 30 10 HDEE C=CCC[C@@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1627752602 RRJCWVYLOZJTHE-JLTOFOAXSA-N 414.474 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(F)(F)CO)CC1 1627950440 FNBXSOJAGXENQA-CQSZACIVSA-N 404.458 1.345 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(F)c1 1634475445 CZEUTDBFQZMROM-UHFFFAOYSA-N 408.377 1.288 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1634876034 AKHBRGHUGSPDHA-UHFFFAOYSA-N 408.543 1.355 30 10 HDEE CCc1c(C)nn(-c2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)c1C 1637513838 QJETZWNKTZHVPE-UHFFFAOYSA-N 418.457 1.883 30 10 HDEE C#CC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)OC 1637693559 KHHZIYIGEKTJSI-LJQANCHMSA-N 420.531 1.865 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)nn1 1638482629 PNHURMARAXCMOI-JXFKEZNVSA-N 418.498 1.787 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)NCC#CCN(C)C)CC3)n2)cc1 1639129975 OOMVOUHMERHSDX-UHFFFAOYSA-N 412.494 1.137 30 10 HDEE CN1CC(=O)N(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1639782905 QFJZRPHCYSXPSB-KNVOCYPGSA-N 423.260 1.510 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2cnccc2C#N)CC1 1641699368 YNKKLRQVWYLEKJ-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3ccccn3)nc3sccc23)CC1 1643102035 GFHOMXOGYCQUAI-UHFFFAOYSA-N 414.516 1.343 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(Cc2noc(-c3ccc(F)cc3F)n2)c1=O 1643944118 AZEJOOJZAIYLFT-UHFFFAOYSA-N 413.384 1.929 30 10 HDEE C=CCCC[C@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OC 1644822544 FZUXHMUGUQDWLU-LBPRGKRZSA-N 403.435 1.578 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](Cc2nccs2)C1)c1cc[nH]n1 1645708647 GUYZZBUSXJONFB-CYBMUJFWSA-N 405.480 1.631 30 10 HDEE N#Cc1cc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)ccc1Br 1647798111 XRWMHXJLKHGCJB-ZDUSSCGKSA-N 407.199 1.584 30 10 HDEE CC1(C)OB(C2CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)CC2)OC1(C)C 1651185437 XVBGCHUIQYSJPY-UHFFFAOYSA-N 400.350 1.743 30 10 HDEE N#Cc1cncc(CN2CCN(c3ncc(I)cn3)CC2)c1 1654442572 FSRSKWCFERRXMY-UHFFFAOYSA-N 406.231 1.670 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1655034470 FAAYTWZDUQXDDS-IBGZPJMESA-N 403.548 1.965 30 10 HDEE N#Cc1cn(CC(=O)NC(=O)NCc2cccs2)nc1I 1656672621 VCJOZCUYPLBIIZ-UHFFFAOYSA-N 415.216 1.447 30 10 HDEE CCC[C@@H](C(=O)OCC)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1660531501 HMTKVKYBLDLLMO-HNNXBMFYSA-N 410.496 1.607 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@H]1CCCO1 1662679051 MWSKRGLRSLYHTF-UKRRQHHQSA-N 409.284 1.983 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1663820013 YOBWGRBNWZRTSK-LLVKDONJSA-N 401.282 1.939 30 10 HDEE C=C(C)[C@@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)c1ccc(F)c(F)c1 1671851688 IDJOFWNJHXIVST-MRXNPFEDSA-N 402.405 1.865 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1672129352 KGGJVVBKAAAWIX-UHFFFAOYSA-N 402.270 1.203 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 1678644782 FWWPIRYELAOBNK-QFIPXVFZSA-N 411.550 1.854 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1681514751 BOASZKMKDRJKRQ-QKLQHJQFSA-N 413.522 1.804 30 10 HDEE C=CCN(CCOC)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1687572700 VZDTVDMNJDFSOW-OAHLLOKOSA-N 419.544 1.255 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1689846475 KQIJBVWPNCONOI-CQSZACIVSA-N 411.491 1.083 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1689850588 DXFKTZHZWKTJHY-IUODEOHRSA-N 407.565 1.954 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCOC)c1 1689873790 WUPISZPAKGDFPU-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1689913425 NZXKELYMFKDYTP-NVXWUHKLSA-N 409.556 1.697 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689922357 KMISWMZLICUZSJ-HNNXBMFYSA-N 402.476 1.711 30 10 HDEE C#CCCCn1c(N2CCC(Cn3cncn3)CC2)nnc1[C@@]1(OCC)CCOC1 1689941971 YWEDJIAEVKVZGJ-OAQYLSRUSA-N 413.526 1.852 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@H]1C 1689978293 ROSJWJYBELPMTF-CMBDLQSPSA-N 419.526 1.658 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1690074289 XEQFCTQGYAYSSK-QGZVFWFLSA-N 415.519 1.335 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690152692 UYOANTJNBCEQEY-FUHWJXTLSA-N 403.527 1.332 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CC2)CC1 1690154024 HOPGGJPIPRGCPJ-ROUUACIJSA-N 401.511 1.378 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690285544 CGXCRKPCAFBDLF-QZTJIDSGSA-N 401.559 1.410 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1690412967 DYPUHWQLEKPTQU-UHFFFAOYSA-N 416.551 1.702 30 10 HDEE Cc1nn(C)c(C)c1CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1693394926 PGHAFXAMFMQQNV-KRWDZBQOSA-N 408.466 1.729 30 10 HDEE C=CCC(CC=C)C(=O)N(CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1702647579 UYDZKWFAXXIHJL-YQPXSLGVSA-N 402.535 1.990 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1705583498 ZPFSOFQYGJYXST-NRFANRHFSA-N 421.501 1.586 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC1CC1 1705594055 OCWOPWNOUZSTEC-UHFFFAOYSA-N 405.458 1.663 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)CC1 1705769636 YMWQCFJIIIEMOA-OAHLLOKOSA-N 403.508 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)F)CC1 1705899313 OQNIMISLYSAZIY-UHFFFAOYSA-N 408.428 1.774 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCCC[C@@H]2C1 1705906203 WVZPNTADOZFFBC-QGZVFWFLSA-N 415.567 1.611 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](COC)C1 1705936067 JLRGPBVNGOBBOF-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@@H]1C 1712521859 NIUOOXZURRYEBN-IRXDYDNUSA-N 406.531 1.463 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)COC 1722356850 UQUXQBYEVBORQC-HXUWFJFHSA-N 410.566 1.995 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369551 ATRUAXJYSJOOLH-BRWVUGGUSA-N 410.540 1.427 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1722459046 BCHVTTHRARQMAA-INIZCTEOSA-N 410.565 1.330 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722526301 ULHQFKSQRRDRTD-GOSISDBHSA-N 418.567 1.948 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1722863276 JCROOCRSRANHJD-CDHQVMDDSA-N 404.515 1.393 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1723547001 NFOKZGAWIHTEBC-UHFFFAOYSA-N 420.525 1.814 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1723779577 JYBPSIUNVQIFBC-OAHLLOKOSA-N 402.524 1.918 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1Cc1ccc(C#N)o1 1723932087 OMJUPOZDOAEQSU-OCCSQVGLSA-N 404.496 1.638 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1724017122 CCYNYGSUMKRKGA-QGZVFWFLSA-N 421.505 1.433 30 10 HDEE CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1728537059 DOYCTCPSTGHBOL-APWZRJJASA-N 417.539 1.575 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)O 1728903542 HTUODKWYWGJCIF-OAHLLOKOSA-N 401.467 1.755 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@H]2CCOC2)cn1 1729569134 KCBQUEMZAHRELJ-DNVCBOLYSA-N 403.462 1.564 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1730844698 SXIRBAXMSRKKLI-QINHECLXSA-N 417.489 1.903 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC1 1740541725 GNDHUQFYCKWQCU-QGZVFWFLSA-N 405.510 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN(C)CC)c1 1740629160 CYAMHUKVZUXTDZ-UHFFFAOYSA-N 406.534 1.989 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1740880950 RRPLABXMIRGHMC-HXUWFJFHSA-N 405.499 1.103 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 1740962974 VMRQSWHATDOYCI-JOCHJYFZSA-N 411.506 1.361 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCn2cncn2)CCOC1 1741722516 BVHIMFJGPVGZKS-HXUWFJFHSA-N 414.514 1.740 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1743245640 QGNICCCMYXERBG-GASCZTMLSA-N 402.524 1.848 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C1CC1 1747704115 BJQNZBGRDDTDQP-UHFFFAOYSA-N 421.505 1.548 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCCNS(C)(=O)=O 1747707279 OUZBARFYYDENCP-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1748174777 XHOGJFGEBDRUII-XMSQKQJNSA-N 424.505 1.585 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1748297573 UHHPHVLSSUISOE-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1748666471 BCYUCXNVZHLOHX-YOEHRIQHSA-N 415.519 1.333 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)COC 1748847306 REJWQWRHJVWHPJ-SFHVURJKSA-N 407.522 1.807 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCNS(C)(=O)=O 1748895127 PVTODLVWODWWNZ-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749102043 ITDCFIJTSDKYKK-STQMWFEESA-N 411.304 1.295 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1749355091 FYSYKUHHLZXOHV-GOSISDBHSA-N 422.468 1.918 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCS(=O)CC2)cc1 1749683753 FOXKSGUOWCDVFB-KRWDZBQOSA-N 415.519 1.411 30 10 HDEE C#CCN(C(=O)C1CCC(O)CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759986387 GVQSAQJCRFBLTR-JQQJYQBTSA-N 400.519 1.414 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760163542 ZYWBKAVOJMTMCC-ROUUACIJSA-N 420.521 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)N2CCOCC2)CC1 1760266207 SFFWOEKDQHDSNJ-MSOLQXFVSA-N 416.570 1.478 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](CC)C1 1760277173 CNDZVOJYGHAKGQ-SFHVURJKSA-N 424.534 1.902 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1760328378 VCIQGIRKRKVDHJ-UHFFFAOYSA-N 402.421 1.595 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760366537 CAJXXSMRMZCNHO-IHRRRGAJSA-N 419.935 1.025 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760428489 XPFMNPVEKMITPF-ROUUACIJSA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760524028 NKDMOBKMEXDAKW-MRXNPFEDSA-N 400.527 1.733 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCn2nc(C)nc2C1 1760551527 IXZYDJAGHNBKLO-UHFFFAOYSA-N 417.495 1.367 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1760657812 ZSFDKNNEEZPBLT-OAHLLOKOSA-N 408.466 1.544 30 10 HDEE CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1768148198 PWSUNTQRYAEETL-OAHLLOKOSA-N 407.482 1.686 30 10 HDEE COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769729685 IBJHOBWSPUIHAL-SFHVURJKSA-N 411.510 1.802 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1848997297 IWELNIMVPXNAQG-HNNXBMFYSA-N 422.526 1.719 30 10 HDEE COc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c(OC)c1 1851230176 GKWKZWXLHUXMAR-UHFFFAOYSA-N 406.446 1.846 30 10 HDEE CC(=O)N1CCC[C@H](CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852880289 DRWATDTUTVNANJ-UNMCSNQZSA-N 401.507 1.913 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cccnc3O[C@H]3CCOC3)CC2)nc1 1853281327 CTBMKNBQEBEGNG-SFHVURJKSA-N 423.473 1.495 30 10 HDEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccccc3Cl)C2)ccn1 1853614231 FWAPKPYGFPMHOI-HNNXBMFYSA-N 407.835 1.909 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccn2)C(=O)C1 1853952709 GHZOMVWOUUCPDQ-HOTGVXAUSA-N 410.455 1.116 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccnc(OCC)c2)C1=O 1854114117 SEVFKAZKCBDVTA-QZTJIDSGSA-N 414.506 1.720 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CSCc2ccccc2)C1=O 1854186375 NZNAOGKCFMETLR-ZWKOTPCHSA-N 401.532 1.766 30 10 HDEE CN(C)c1nccc2c1CCCN2[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854493246 GTKBZKGGEAUPAM-IBGZPJMESA-N 404.474 1.998 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1854725984 MUFHNRHYDWUNDM-IUODEOHRSA-N 408.380 1.394 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN([C@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854956659 QMRVKDQGIQHGPH-SJORKVTESA-N 414.506 1.755 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cccc(Br)n3)C(=O)C2)C1 1855018753 FKKIRJTUUWCZCN-ZDUSSCGKSA-N 406.284 1.116 30 10 HDEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855120678 DYNKHAVTLULBGT-DOTOQJQBSA-N 404.898 1.766 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(Cl)nc3ccccc23)CCN1S(=O)(=O)CC#N 1856062022 LHNFMNBBDHSZCN-UHFFFAOYSA-N 420.878 1.805 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(c4ncccn4)CC3)CC2=O)cc1 1856240939 YGYZNRKRSCAELH-LJQANCHMSA-N 404.474 1.088 30 10 HDEE COc1ccc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cn1 1856390994 NYJIYQYUSGBJFI-CQSZACIVSA-N 407.430 1.109 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC4(CC3)CC4(F)F)ccc21 1856641941 ZNRVLEAFNYGGKQ-UHFFFAOYSA-N 409.414 1.826 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)C1(C)C 1856720676 XKLQLQCOOJWTST-CVEARBPZSA-N 422.526 1.764 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@@H](F)CC2CCC2)C1=O 1857152001 RJFYUDAAHQGDIH-RDJZCZTQSA-N 400.458 1.124 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)c1 1857231743 GLNVHMKVJIWAQN-FUHWJXTLSA-N 412.490 1.721 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1857435985 RICOCDFUAMWWBL-QZTJIDSGSA-N 421.494 1.809 30 10 HDEE N#Cc1ccc(COc2cn(Cc3ccccn3)c(CN3CC(O)C3)cc2=O)cc1 1870350002 LUJDATDNPLOFIJ-UHFFFAOYSA-N 402.454 1.919 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(C)CC2)cc1=O 1870562426 FVFDNSGYTLKHTH-UHFFFAOYSA-N 403.504 1.788 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)COc1ccccc1OC 1873710829 VUSZUIRGBDVKDK-UHFFFAOYSA-N 417.487 1.855 30 10 HDEE CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4F)CC3)nn2)CC1 1889402846 GPHAUTMBNWKPCN-UHFFFAOYSA-N 409.469 1.202 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC(Cn3cc(Br)cn3)C2)cs1 1889623012 JFPXAABZDZDOPA-UHFFFAOYSA-N 410.297 1.790 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 1890102883 TVXLZVMXRLQYJT-KRWDZBQOSA-N 406.490 1.903 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCC(COc4nccnc4C#N)CC3)c2n1 1891392002 ZZBGOMDOMMEQAC-UHFFFAOYSA-N 404.430 1.596 30 10 HDEE CCNC(=O)N1CCC(C(=O)N2CCC(COc3nccnc3C#N)CC2)CC1 1891567634 KNSMNPQYXVYCRJ-UHFFFAOYSA-N 400.483 1.407 30 10 HDEE N#Cc1ccc(F)c(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1 1891575354 NMOGDRXONGUFOO-UHFFFAOYSA-N 402.451 1.923 30 10 HDEE Cc1nc(I)c(I)n1C[C@@H](O)CC#N 1903922020 LHLGQYPESDZSOT-LURJTMIESA-N 416.988 1.675 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@H]1C#N 1964950378 DTTUHWHWHYVUNA-MOPGFXCFSA-N 415.538 1.678 30 10 HDEE C=C(C)C(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2054622790 BZQDHZDSIXPDSS-FCRQHZQGSA-N 422.430 1.187 30 10 HDEE C=CCC1(NS(=O)(=O)c2scnc2C(=O)O)CN(C(=O)OC(C)(C)C)C1 2106154381 KMKFQWUUMBQSDT-UHFFFAOYSA-N 403.482 1.685 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)C1 2123461253 LCZCISMVOZIMLL-BWAGFHJFSA-N 400.475 1.789 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(F)ccc3Cl)s[nH]2)OC1(C)C 2166413153 GQECHTWUIXACRF-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NS(=O)(=O)CC2(C#N)CCC2)CC1 2174786814 NNIZGAGYJYDRTA-AREMUKBSSA-N 420.557 1.576 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2192573634 SJGPSSMUIFQHQG-SMTLLYMTSA-N 420.557 1.478 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C(C)(C)O 2244546857 RMVOUEHIDOOZRM-CQSZACIVSA-N 410.320 1.792 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247803462 DUKXTBBQHYCROY-OPAMFIHVSA-N 408.311 1.713 30 10 HDEE Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2247936235 XKBZHLNYGGSDML-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CSC[C@@H]2C(=O)O)OC1(C)C 2269036256 KEQGBINXUUNDGZ-SNVBAGLBSA-N 405.328 1.196 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCC[C@@H]3S(C)(=O)=O)ns2)OC1(C)C 2282002879 VDJIDZNDQJVXQG-PWSUYJOCSA-N 400.331 1.138 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282005470 MTCITXAHPBCCEW-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282063366 KTXWDDYPWNJCLO-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H](CO)C3)c2)OC1(C)C 2282341635 VQQWVRWWQILVEG-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282345109 NTAXKOOGNBKFAX-LLVKDONJSA-N 423.387 1.101 30 10 HDEE CCN[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499921 GWOKGWVKXWKLFK-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CO)CC2CC2)OC1(C)C 2282505972 LPQNSOZVPSDKSU-CQSZACIVSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@H](CCO)C3)sc2Cl)OC1(C)C 2282628352 NDNJUGKGQHFQEH-LLVKDONJSA-N 401.721 1.924 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282639079 VSDSFAUEZSALPI-JTQLQIEISA-N 401.359 1.827 30 10 HDEE CCC[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC 2282831527 AHIURLKWJLBLAA-LBPRGKRZSA-N 404.363 1.677 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(F)C[C@H](N)C2)OC1(C)C 2282842879 FBRNZLHKUJYGSX-YGUOUDRMSA-N 404.338 1.296 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCCNC1 2282852637 RSMKZCAWJGRPMU-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282853430 CSTCXCAIFZOCLU-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2O)OC1(C)C 2282854587 UCCYKGOGVQUIGW-DNLDONJPSA-N 421.286 1.062 30 10 HDEE CN(C1CSC1)S(=O)(=O)c1c(F)cc(F)cc1B1OC(C)(C)C(C)(C)O1 2282870760 XHZKPZKNSWWLKH-UHFFFAOYSA-N 405.297 2.000 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(N)=O 2282871045 AUABQWAYTYDOLR-MRVPVSSYSA-N 423.127 1.445 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CC(=O)O 2284403683 RYZNNJGKYAESAA-JTQLQIEISA-N 403.331 1.745 30 10 HDEE CCN([C@@H](C)C(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284409567 KZEMHFCZTJMBAQ-NSHDSACASA-N 403.331 1.672 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)Nc2snnc2C(=O)O)OC1(C)C 2284414552 ILJHYAIGHGIBHO-UHFFFAOYSA-N 417.299 1.398 30 10 HDEE COc1cccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1OC 2325714451 ZPXCQGZUGKNEOI-UHFFFAOYSA-N 404.444 1.250 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc[nH]1 2327874563 VCPNUSLBRKIRHU-LBPRGKRZSA-N 404.496 1.868 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(Cl)c(Cl)c1 2330743928 WBLNANYUHRKATF-UHFFFAOYSA-N 401.279 1.681 30 10 HDEE O=C(CN=C1NS(=O)(=O)c2ccccc21)N1CCN(CC=Cc2ccccc2)CC1 2330944311 KIBFTHXBRRLHID-UHFFFAOYSA-N 424.526 1.583 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1ccc(O)c(OC)c1 2331548525 UIPUVKHNBSWYDH-UHFFFAOYSA-N 407.496 1.981 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2365201608 AVLBCHUHDICABJ-BEFAXECRSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365212867 RTMJUTSRKVLATR-HNNXBMFYSA-N 402.557 1.947 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2367798912 VOHYXJALUCMUGD-BEFAXECRSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CN(C)C(=O)OC(C)(C)C 2367808814 HCHQLRNFAAXBHP-CRAIPNDOSA-N 402.557 1.553 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1 14896607 SZPCTSFIDFBKED-UHFFFAOYSA-N 421.482 1.891 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)CC1 23004341 IECUBUYHJNTNGZ-UHFFFAOYSA-N 418.498 1.349 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 27903856 KXDIAAMLDGGLHI-INIZCTEOSA-N 415.563 1.563 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(OCC(N)=O)c3)cc2C1=O 44641957 BRMODFATJULPTF-UHFFFAOYSA-N 409.398 1.594 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)[C@H](C)Oc3ccc(N)nc32)nc1C 96496080 YEAFLEYTYRWAGR-JTQLQIEISA-N 417.447 1.524 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2cccnc2)C1 256032867 JGBUEIHLQAROJJ-ILXRZTDVSA-N 422.445 1.580 30 10 HDEE N#Cc1ccc(-n2cnc(I)c2I)nn1 306666004 YXNSLORNDVLISL-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCO1 409475701 JLGLLPJZANWSAO-STQMWFEESA-N 406.386 1.023 30 10 HDEE C[C@@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)n1cnc(C#N)n1 409620493 YBKNDPHJKAHIAC-NSHDSACASA-N 405.256 1.410 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)c(C)n1)c1ccc(S(C)(=O)=O)cc1 431220964 IHSZOHABYVGXNR-FQEVSTJZSA-N 415.471 1.874 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)nn2)cc1 445974619 NMRLHGBFLKFABM-UHFFFAOYSA-N 418.461 1.574 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 462581925 WHEAXUZNBGDAJX-GOSISDBHSA-N 407.536 1.478 30 10 HDEE CC(C)[C@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464310241 KFCJDDUJTHXGAA-ZDUSSCGKSA-N 416.297 1.467 30 10 HDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 466707860 OBMWNPWHBFFCBA-UHFFFAOYSA-N 423.408 1.397 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 468274555 NGURSPZSKZXFEC-NRFANRHFSA-N 423.429 1.068 30 10 HDEE COCCN1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1=O 470229050 WLDCVNPSYADZSQ-UHFFFAOYSA-N 407.492 1.085 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c3ncc(Br)cc23)CC1 471622378 RJPDUJYXOVNHQC-UHFFFAOYSA-N 406.284 1.385 30 10 HDEE CCNC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 471877932 PSEIQADSMJSQAQ-LBPRGKRZSA-N 401.286 1.403 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnccc3C(F)(F)F)CC2)c1C#N 472192829 GSLMZKKRBSROAV-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 480438330 BFBDUHCMBIZTNG-STQMWFEESA-N 401.444 1.831 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(Br)cc2)CC1 483593282 NVXKAHNQPGNMDV-CQSZACIVSA-N 409.328 1.967 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 485896257 GLOCZJFVUCEKAZ-NVXWUHKLSA-N 409.508 1.225 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N 489095981 BQEJRDQGYZTZSU-ZDUSSCGKSA-N 408.505 1.552 30 10 HDEE N#C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(Br)cc1 499407699 NWYMCTZRRASEMU-CQSZACIVSA-N 412.309 1.722 30 10 HDEE CCNS(=O)(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 507326481 NMQFDETWYNXKRF-IBGZPJMESA-N 409.508 1.863 30 10 HDEE COC(=O)[C@@H](C)CN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1 512449188 CSRTUCUQRIWPNC-PZJWPPBQSA-N 414.550 1.990 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2)c1=O 523743818 PWVBMRUTXNJYTA-UHFFFAOYSA-N 400.475 1.958 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2-n2ccnn2)CC1 542193359 FPMQVKLTJCZPLD-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE Cn1cc2c(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 555283624 VDXHDRLVPLKFKQ-OAHLLOKOSA-N 407.409 1.749 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 558123317 NGCPMRVPZNMBKJ-UHFFFAOYSA-N 421.501 1.843 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCn1cnc2c1c(=O)n(C)c(=O)n2C 558753381 IRMDACROTYQQKW-UHFFFAOYSA-N 424.848 1.282 30 10 HDEE Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585471223 FCCSWHQIAKABLM-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CCCC2=O)c(F)c1 585715261 SBZRSZJXEVQJCV-UHFFFAOYSA-N 408.433 1.752 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)C1 603557655 MKLKMZUSRPYNKA-OTWHNJEPSA-N 412.534 1.974 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)cc2F)cc1 609241153 WPCAWTTUHRMVOR-UHFFFAOYSA-N 418.450 1.641 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cnn(-c4ccncc4)c3)C2=O)cc1 609604803 BVHYFUPYWLPIGZ-GOSISDBHSA-N 415.413 1.983 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCN2CCOC2=O)CC1 728397557 LLBJYFMVVHYEMS-UHFFFAOYSA-N 408.462 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732462034 DKSCTXVCGRYWAO-UPTRSRDDSA-N 421.498 1.459 30 10 HDEE COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732911291 ZCDUWYGGPCXZLC-YJBOKZPZSA-N 404.488 1.471 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 749782214 SBWDOLQWJBNEGF-KRWDZBQOSA-N 421.454 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCCOc1cccc(C#N)c1 755185390 GXEPEMDYHPFUES-KRWDZBQOSA-N 417.462 1.996 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccn2)CC1 756893625 WLUDZLVIQUEUGA-DLBZAZTESA-N 414.510 1.322 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2COc3ccccc3O2)C1 758311180 VAJQEOLYAWBDOH-ZNMIVQPWSA-N 402.451 1.885 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 766483316 UVNLSYFQFXSQQM-RTBURBONSA-N 418.515 1.684 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCc2nnnn2C)C1=O 771543813 NOXINBCSQUQRMH-JWPYMJITSA-N 407.525 1.011 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC[C@@H]1COc2ccccc2O1)c1cc[nH]n1 772387175 KQUHXEQVDQFQMK-CYBMUJFWSA-N 402.407 1.040 30 10 HDEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 785283067 GBPQDAFEKFESHW-PMACEKPBSA-N 420.469 1.380 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NCCc1nc(C(=O)OCC)cs1 787907640 HEMBEETUYGWZED-UHFFFAOYSA-N 419.434 1.768 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)n1 788821010 OITQAHLYDIQMHA-UHFFFAOYSA-N 418.519 1.492 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCOC 794583133 WRXQLCMEWALTLD-UHFFFAOYSA-N 415.490 1.063 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]2C1 797764103 ACVQPOMNWVXYPS-ATWJUZPFSA-N 404.467 1.228 30 10 HDEE C=CCN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1=O 798598059 XUSRNEVOTXOWHH-MRXNPFEDSA-N 407.423 1.898 30 10 HDEE COCCN(C(=O)/C=C\c1ccccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 799833000 RXRSPKHYGZPQJM-HJWRWDBZSA-N 411.462 1.752 30 10 HDEE C#Cc1cc(F)c(NC(=O)C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)c(F)c1 802559543 AEUMHNQFPOSDJU-UHFFFAOYSA-N 411.368 1.790 30 10 HDEE Cc1nsc(N2CCN(CN3C(=O)N[C@@](C(C)C)(C4CC4)C3=O)CC2)c1C#N 811786049 OEXOHSBJCPZAHC-IBGZPJMESA-N 402.524 1.759 30 10 HDEE N#Cc1cccnc1N1CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 813750442 UNSOOURUDZSJBL-UHFFFAOYSA-N 420.517 1.941 30 10 HDEE COc1cccc2c1[C@@H](C(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 814540151 OZZZQVHBFCECDA-INIZCTEOSA-N 424.457 1.785 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c1=O)O[C@H](C)C2 837865329 ZNQMYMJJZKHIOR-CXAGYDPISA-N 423.494 1.447 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3c(n2)OCCO3)c1 1125419332 YLNJUTXDNPFPNG-UHFFFAOYSA-N 407.426 1.340 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C[C@H]3CCCO3)CC2)s1 1135272068 FPAGSAYKMIYCFX-OAHLLOKOSA-N 413.565 1.078 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 1135823005 LSRQPADTYLZDQV-OAHLLOKOSA-N 411.480 1.164 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)CC1 1135889773 WQLDTFGZXCDYEI-UHFFFAOYSA-N 406.414 1.912 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1136743366 PPNHVVFLHMFGPK-RBUKOAKNSA-N 424.586 1.759 30 10 HDEE CC(C)(C)OC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCC1 1136895569 GDVNQJXXGNVXRS-UHFFFAOYSA-N 407.492 1.607 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1141603170 FNXMMQGUUJFHMX-KBPBESRZSA-N 409.446 1.577 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(C#N)c[nH]c3c2)cc1 1141776671 HINFEFHAWQUMEN-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE C=CCCn1cc(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1 1143013152 JDMNVLWDLXVJRO-UHFFFAOYSA-N 402.886 1.586 30 10 HDEE CC(C)N1CCC(O)(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1150695536 NGPCFATZTWBQFY-UHFFFAOYSA-N 407.555 1.988 30 10 HDEE C#CCC1(O)CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 1175854237 OLFJQELIEQDCGY-UHFFFAOYSA-N 414.321 1.741 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 1178208529 RIZDJDZAGNGVOS-UHFFFAOYSA-N 417.300 1.819 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1 1209518253 GVFAXZHODHUPRA-HKUYNNGSSA-N 403.548 1.669 30 10 HDEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](CO)Cc1ccccc1 1225935631 AMKJPOKNHGALMO-FGTMMUONSA-N 402.495 1.990 30 10 HDEE C#CCN(C(=O)NCC(=O)N(CC)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1231043314 UIRXAMFQOMLUMT-UHFFFAOYSA-N 410.515 1.831 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)C1CCOCC1 1231333420 XWHNQCQWPAHPLO-HXUWFJFHSA-N 414.550 1.887 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@H](Nc3ncccn3)C2)C1 1233853387 PHIOKRJTEQWFPH-KKUMJFAQSA-N 401.471 1.431 30 10 HDEE C[C@@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C(=O)N1c1cnn(C)c1 1265562966 YYCXNXRDJBGLTK-BZNIZROVSA-N 416.279 1.907 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)Nc1ccc(F)cc1 1286358456 GOSICXMAMBALDG-UHFFFAOYSA-N 407.409 1.773 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286384628 JCRQUGVYWXPNCE-TWOQFEAHSA-N 408.568 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCOC1=O 1286404286 RGPDJBPQBGVJPO-UHFFFAOYSA-N 407.430 1.589 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1286448618 ZLYKPNPLMVTJRB-CRAIPNDOSA-N 411.597 1.077 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCCC 1286456370 PXCCTYBWZHQJJJ-QGZVFWFLSA-N 412.469 1.534 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCc2nccn2C1 1286467634 ZTLYJMWZUOUNMC-IBGZPJMESA-N 405.506 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)N(C)C)CC1 1286489359 PRMYLAXHWLDLTE-UHFFFAOYSA-N 408.506 1.389 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286629483 QOKWRZYZUBLRNC-BZUAXINKSA-N 411.934 1.902 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1286788182 RSNBMORMZQKQIK-CVEARBPZSA-N 400.487 1.255 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1286968407 LFQUVJUPMUXNKE-YESIBHTGSA-N 413.482 1.642 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1287602024 BEAWELZMFLYMRW-MRXNPFEDSA-N 401.515 1.445 30 10 HDEE CN(c1nnc(C2CC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1298147571 GKWLVLKCCNSZGR-UHFFFAOYSA-N 404.496 1.529 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1300304766 QLWAQPNBCSWQPK-OAHLLOKOSA-N 421.505 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)COC3)CC1 1300731340 PEEMHMRJEDBBHG-UHFFFAOYSA-N 423.517 1.859 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300767116 RLYNUXOJWBHPHP-MRXNPFEDSA-N 405.549 1.254 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301498556 QOWCQXRNGJOOHX-CYBMUJFWSA-N 414.432 1.353 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301515200 RCKKHSGZDVTVKD-AEFFLSMTSA-N 413.522 1.983 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1302444356 RNECOYZMDTUMSB-FOIQADDNSA-N 401.515 1.522 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2nccc(C(F)F)n2)c1 1302981994 CPJNUFLAKRSKND-CQSZACIVSA-N 424.415 1.904 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cccn2)CCOC1 1314111686 DVQSUOOEQIMOJH-MOPGFXCFSA-N 403.462 1.659 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1314139315 GSCSGVIAZXKAID-XLIONFOSSA-N 404.515 1.145 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC2)CCO1 1316540886 OVRMHUXMNZLQSF-OAHLLOKOSA-N 402.449 1.972 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1358918740 FTJZEKMSJBXRLB-UHFFFAOYSA-N 422.533 1.853 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1358948620 GSQFZKFHUJIWLB-AWEZNQCLSA-N 409.537 1.200 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358962351 OHRZQIHBFLZSNP-IAGOWNOFSA-N 420.560 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCS(=O)(=O)C1 1359025945 DNJJHMDJQUYKHV-MRXNPFEDSA-N 408.549 1.451 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359100793 GMSFZDXOBZPOEE-INMHGKMJSA-N 402.499 1.294 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359100796 GMSFZDXOBZPOEE-ZOBUZTSGSA-N 402.499 1.294 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359221401 ALPPDMSPSVJJHQ-LJQANCHMSA-N 406.487 1.040 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1)C1CC1 1359246342 YPDQWRAEBDWSMH-MRXNPFEDSA-N 411.510 1.801 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C1CCOCC1 1437878279 SCQDQZKTNMIUBW-QGZVFWFLSA-N 408.520 1.884 30 10 HDEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1C#N 1439244327 GICMFZYSICTBBF-UHFFFAOYSA-N 421.500 1.824 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CN1CCOCC1 1445367440 GIAUXWXHBMJEIF-GJZGRUSLSA-N 405.923 1.174 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 1445686924 HYEZGONLRKZZGO-UHFFFAOYSA-N 422.482 1.198 30 10 HDEE N#C[C@@H](CO)NC(=O)c1csc(I)c1Br 1449516877 DLPAHJJMULPBGC-BYPYZUCNSA-N 401.023 1.729 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(c2ccc(C#N)cn2)CC1 1460497682 FXCDXWNKLTYEPN-KRWDZBQOSA-N 405.506 1.660 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(Cc4cc(C#N)ccn4)C3)[C@@H]2C1 1460680066 VDRREEWVDAJKMF-KURKYZTESA-N 413.478 1.968 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1460696816 URHSISXIGOLJSJ-QPPBQGQZSA-N 421.497 1.801 30 10 HDEE C=CCN(C(=O)Cn1cc(C=O)c(-c2ccc(OC)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1464404543 XEILTGLDFQZJOB-QGZVFWFLSA-N 417.487 1.573 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)CCO1 1464473832 CMINVMPAPPEADM-VJANTYMQSA-N 419.503 1.442 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1465153983 IUZWAUXYUGJIIV-OAHLLOKOSA-N 408.524 1.433 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)nn1 1467475109 XIBOLFQYFSGROM-UHFFFAOYSA-N 402.459 1.774 30 10 HDEE CCOC(=O)c1ccc(N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)nc1 1471459775 CRDDOSZDWADSTN-UHFFFAOYSA-N 400.464 1.618 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 1475469681 DWYOODMRQJNCFP-GOSISDBHSA-N 420.531 1.898 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C2=O)cc1 1478568230 NXGVHWUBLZAIOT-POXGOYDTSA-N 416.425 1.269 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ccsc2C#N)CC1)[C@H]1COCC12OCCO2 1478796727 GLOJWEAMBLVRPF-QGZVFWFLSA-N 420.535 1.867 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccnc(Oc4ccccc4)c3)C2)c(=O)nc1O 1478927854 KGTOYEBQTIKOIC-UHFFFAOYSA-N 418.413 1.774 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1503564421 ZIPPFUADAUTTHW-MRXNPFEDSA-N 414.466 1.577 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(O)CC2)C1 1505314323 BNEHTPYIRJHJBZ-PXNSSMCTSA-N 406.506 1.808 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccc(C)cc1 1507601720 UETVIOYHQVMYIR-MRXNPFEDSA-N 405.524 1.735 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1507741332 PZOSQVWFEZHHRV-IIBYNOLFSA-N 405.543 1.578 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507954091 KPPXIDQHKOGRMV-IXDOHACOSA-N 410.540 1.531 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1507968204 QULALJHTOQRFOC-INIZCTEOSA-N 405.499 1.844 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1508121078 CRVGCZWQXZZEBD-MSOLQXFVSA-N 419.526 1.550 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1508136339 RIWAWXNNFNBTDW-UHFFFAOYSA-N 417.535 1.651 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508163415 CCFBSFUSBGILOR-INIZCTEOSA-N 407.565 1.806 30 10 HDEE CC(C)NC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1509758903 OFANCEUCQOIMKY-RTBURBONSA-N 408.478 1.285 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1509776408 AEYLAXAMAWYOGC-GOSISDBHSA-N 424.477 1.854 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C)O1 1512497168 HJSKAKFATAEDMV-BXWFABGCSA-N 413.478 1.758 30 10 HDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1514267376 CRHGWYXNNKEBEH-LVCYWYKZSA-N 413.478 1.841 30 10 HDEE COc1nc(N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)ncc1Br 1515419579 TWCYNQLEGVFPMM-UHFFFAOYSA-N 417.267 1.785 30 10 HDEE CCn1nc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CC2)c2ccccc2c1=O 1515948693 RETHRGINKVVXMG-AWEZNQCLSA-N 407.478 1.938 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1516865113 WJGBATHLXFZQKE-DUOAEJKSSA-N 415.475 1.699 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)C1=O 1517410722 PYZZSDLDDPIRAK-HXUWFJFHSA-N 406.450 1.684 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1519277200 LWYIYPCZZQZLDR-VOBQZIQPSA-N 420.489 1.455 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)co1 1525798643 LROYNZPLGPSJQM-UHFFFAOYSA-N 403.416 1.069 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1529534408 OWPSFEHVKVAPDJ-KSZLIROESA-N 402.491 1.802 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OC 1531945776 SIEDOLQYJKUBOK-GOEBONIOSA-N 411.524 1.683 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCCc2ccc(C#N)cc2)c1 1532332624 HCTVBZXVMMRKBI-UHFFFAOYSA-N 405.501 1.947 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CCO2)cc1 1536663207 ISISYNOKCQHRLL-SFHVURJKSA-N 408.370 1.974 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1539003124 AFZJAGPXTZZLSE-HOCLYGCPSA-N 413.478 1.115 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ncc(C#N)cc1Cl)CCS2(=O)=O 1539175587 BLGASHUVTXUGSX-VMBJYNEYSA-N 411.867 1.235 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539185388 GBMUDHYBFXCPNH-LJQANCHMSA-N 409.538 1.276 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1 1539359100 XXILDRZSEQEVNR-UHFFFAOYSA-N 401.511 1.955 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539481084 ICFACAFTCGHGII-RADWXHQJSA-N 417.554 1.545 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1539517697 QXKSQBKNLTXWES-MRXNPFEDSA-N 403.552 1.645 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539525815 CZQBDFCVYFLEAT-HOTGVXAUSA-N 416.507 1.620 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1539829985 MKMINAGJWBXXRD-UHFFFAOYSA-N 408.506 1.907 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539913052 XWLCQGNFGIXLSM-QGZVFWFLSA-N 401.515 1.622 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1540200624 FOOWTCCXEZXETH-UONOGXRCSA-N 420.482 1.243 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540870777 WVBMKEORJFOAJT-LJQANCHMSA-N 415.586 1.454 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1542201497 SIZBIPWFCLUPKY-GXTWGEPZSA-N 410.525 1.035 30 10 HDEE C=CCN(C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1)[C@@H]1CCS(=O)(=O)C1 1542217190 SHLMJUUYUDAWKA-OAHLLOKOSA-N 406.508 1.119 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C)n(C)c1=O 1555728493 KITFRKWERUECEE-SZMVWBNQSA-N 414.510 1.796 30 10 HDEE Cc1ccc(C(=O)Nc2ccccc2C[S@](C)=O)cc1S(=O)(=O)NCC#N 1556136024 ULLQRUVENFKAOU-SANMLTNESA-N 405.501 1.928 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 1557386421 UDJLFKGWPIGZAM-BQIYRTECSA-N 403.479 1.716 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCNC(=O)c2cnccn2)c1 1558038417 XZFLGCTZRFWZOQ-UHFFFAOYSA-N 401.430 1.515 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1558643568 ZFTUIRMKVSMCPT-CQSZACIVSA-N 408.329 1.045 30 10 HDEE C[C@]1(C#N)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1560182778 PTVIXYRMNLNYPL-ZHRRBRCNSA-N 411.506 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1564675154 LSOPBLBMGIWINP-YOEHRIQHSA-N 420.514 1.850 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1564735855 BLCWKRRRIDVQSP-GOSISDBHSA-N 402.476 1.222 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1583088371 WIJGABYLHQSLSM-UHFFFAOYSA-N 400.479 1.740 30 10 HDEE Cc1nc(O)nc(O)c1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1587497307 BQBWLPZGOQCNPY-UHFFFAOYSA-N 404.224 1.905 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1587661547 FAJJZQJNEWOOJE-QUCCMNQESA-N 412.586 1.624 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1587847013 ANRFZOSETGZBPQ-QFIPXVFZSA-N 419.489 1.970 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1588034316 DAIDHMALQACQBC-KRWDZBQOSA-N 418.519 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC)cc1 1588213983 DEXDZQGUYKSHPC-UHFFFAOYSA-N 413.485 1.996 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccccc1F 1588695868 IYRQWIODBBRDFG-GOSISDBHSA-N 415.469 1.785 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@@H]2C)CC1 1588733075 LWJAZDKZCSPWSZ-ZWKOTPCHSA-N 423.521 1.353 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)CC1 1588806287 LYBIQVYJQSZKSM-DAWZGUTISA-N 400.527 1.190 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@H]1C 1589007758 QIFNZWIABYZZOW-CQSZACIVSA-N 414.491 1.887 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1589060187 ODFMUJWAOCOWOE-SJLPKXTDSA-N 416.595 1.906 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1593625270 OVABLPWHAWOUPQ-OAHLLOKOSA-N 413.482 1.501 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1593625320 PMAQQKBMBIXGIQ-IBGZPJMESA-N 415.586 1.800 30 10 HDEE CONC(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1594723406 LTTVDKMAZXGCOD-UHFFFAOYSA-N 421.295 1.673 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1595476930 OVMRFQGDFRFFBX-HNNXBMFYSA-N 403.531 1.478 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)C1 1595721339 FAABTRAFDNNGKD-IAGOWNOFSA-N 420.539 1.226 30 10 HDEE C#CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1596142102 OTQAFELHHBTIQS-UHFFFAOYSA-N 406.483 1.178 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCOC)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1616675016 IDJRXQUUXIPCRU-OAHLLOKOSA-N 421.523 1.352 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1618389735 PXHGRHJOQFBDIQ-LBPRGKRZSA-N 420.919 1.902 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1619912778 LZMIGJNXZSSBGB-AWEZNQCLSA-N 418.479 1.060 30 10 HDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)CCOC1 1620434910 JHHTXPTVRBOFAS-JLPSEHFJSA-N 420.554 1.255 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)CC1 1622067512 QSEWMEOCTFJLLX-UHFFFAOYSA-N 423.922 1.399 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 1624508244 ROTPDVLBCJMCQO-INIZCTEOSA-N 418.556 1.946 30 10 HDEE O=C(NCCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(C#CCO)c1 1626081645 LCCRSEPFFKDYSX-UHFFFAOYSA-N 409.461 1.638 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)c3nc(OC)ccc32)ccc1F 1626254231 GLBAXLSYMLGTJP-UHFFFAOYSA-N 420.466 1.790 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H](C#N)c2ccc(Br)cc2)c(=O)nc1O 1629571587 OZLYWEMFESWHIZ-CYBMUJFWSA-N 402.208 1.354 30 10 HDEE Cn1nnc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1C(F)(F)F 1629710070 OVLSBIVVIMBOGV-UHFFFAOYSA-N 418.383 1.836 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)CC1 1630038982 KDHRMYYMDHIECQ-CALCHBBNSA-N 404.532 1.954 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCOC[C@@H]2CC(N)=O)nnc1-c1ccco1 1630161195 YKDBDBVWXLXPSV-ZDUSSCGKSA-N 405.480 1.309 30 10 HDEE C=CCn1cc(C(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)nn1 1634436965 IZGNECPDYFVYAF-CQSZACIVSA-N 407.471 1.383 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC(=O)NCc2ccc(C(=O)NO)cc2)CC1 1635200772 NZZIZNZOCVOSCE-UHFFFAOYSA-N 407.467 1.838 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]4C[C@H]3[C@H](CO)C4)CC2)cc1 1637444131 DKODQCONCMFUTF-DJABAAGCSA-N 417.531 1.482 30 10 HDEE N#C[C@]1(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCc2ccccc2C1 1638848141 JWNNNXUQFDAZHZ-AVRDEDQJSA-N 424.888 1.881 30 10 HDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C(C)(C)C 1641835729 QPURFJBUVZDSRH-WCVJEAGWSA-N 412.552 1.821 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)CC1 1644249770 FBXGNOCMZHUHLG-MOPGFXCFSA-N 404.555 1.485 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCCN(CC(=O)N(C)C)CC2)ccc1Cl 1644515053 QPHMJYIASUXNMH-UHFFFAOYSA-N 419.957 1.991 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1645671402 BWSAVBKBOPVDPD-NRFANRHFSA-N 403.527 1.078 30 10 HDEE CCn1c(C)cc2[nH]nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2c1=O 1651095718 TUXUHOFHGSTYGJ-CQSZACIVSA-N 404.430 1.916 30 10 HDEE C#CCN1CCC[C@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 1651409245 QQAPWBGBQQCXOP-HNNXBMFYSA-N 408.480 1.125 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(Br)cc2[N+](=O)[O-])c1=O 1651693610 HFYZQUOMVHJUMT-UHFFFAOYSA-N 423.223 1.263 30 10 HDEE COC(=O)c1ccc(N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)c(C#N)n1 1652340196 URKWEQRWOSKQHB-CQSZACIVSA-N 404.467 1.938 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3ccccc3Cl)CC2)C1 1652926344 VXELMGPXXMAUSU-UHFFFAOYSA-N 412.895 1.873 30 10 HDEE N#Cc1ccc(Br)c(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)c1 1661533689 BIYSRXVFGCYGNM-INIZCTEOSA-N 407.312 1.343 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CCOCC1 1674590052 GYFKQYHWVOMVQX-LJQANCHMSA-N 403.454 1.487 30 10 HDEE Cn1c(=O)c2ccc(NC(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc2n(C)c1=O 1674905021 BXMLBWZETHLYRW-IBGZPJMESA-N 419.441 1.714 30 10 HDEE CCc1ccccc1[C@@H](CNC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C 1686402997 MPCPBONOBLVVGZ-MRXNPFEDSA-N 403.483 1.754 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1686634411 SJYSFPBESMMLJH-IBGZPJMESA-N 420.579 1.650 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnn(C)n1 1689841949 QTEKLAMSWFXOIX-AWEZNQCLSA-N 410.482 1.772 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCN1CCCS1(=O)=O 1690005244 XGVBMLZMEQRCLW-UHFFFAOYSA-N 417.922 1.707 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)c(O)c2)CC1 1690120141 IQHLIDJEALZFFT-UHFFFAOYSA-N 404.474 1.858 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690484740 CHNUGLQABQDYER-ZIAGYGMSSA-N 404.558 1.016 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N(C)Cc1cnn(C)c1 1690675166 QSXMMEWUEZRFGF-UHFFFAOYSA-N 409.494 1.838 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1690715857 WLCFDBQYTIIAIF-CQSZACIVSA-N 423.543 1.016 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1696656150 GEHPWQHRGZONAW-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1Cc1ncn(C)n1 1698060322 CDOWDAQELAWFHW-UHFFFAOYSA-N 405.466 1.970 30 10 HDEE COCCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C[C@H]1C 1698095927 IERAVYWJNIUWAE-QGZVFWFLSA-N 421.505 1.934 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCN(C)C)cc1 1705474668 DTPPODHYDJNBEF-QGZVFWFLSA-N 412.538 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1705497777 HZMKBDWHZATFNR-ZDUSSCGKSA-N 407.565 1.917 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705553547 ZCFBAMMHGPHNSB-QZTJIDSGSA-N 402.543 1.532 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705570120 MVZCMVDSJSITRO-YLJYHZDGSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1C 1705577332 XXCKGMCWMYWTII-MJGOQNOKSA-N 416.489 1.666 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC1(OCCOC)CCOCC1 1705610423 NWEYGOMFGXKYCF-UHFFFAOYSA-N 402.499 1.350 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1ccnc1C 1705883702 RMEPXCKKTZHHBA-UHFFFAOYSA-N 413.482 1.850 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705949961 OIWWSDJZHAMHDP-FQEVSTJZSA-N 423.583 1.906 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 1706579260 RRPFFYSTQXZKSL-CRAIPNDOSA-N 421.505 1.571 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1706932550 LWVBOFPOFSTHMF-YCRPNKLZSA-N 413.526 1.559 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1712228305 YWACPYBIOAWIIR-UHFFFAOYSA-N 413.482 1.827 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2=CCCOC2)cc1 1712880383 HGRUHYMUMIQDTG-SFHVURJKSA-N 422.489 1.777 30 10 HDEE C=CCC1(C(=O)N2CCC(N(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCC1 1719658093 YYGOERAXIWFIMZ-RMMWZPCPSA-N 402.535 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1722283305 HZHDRNBUDYLIGF-QRWLVFNGSA-N 413.551 1.821 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(=O)(=O)CC 1722301089 VEGMHZJNYKMGNJ-HNNXBMFYSA-N 407.515 1.795 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722306972 PRSYLCRAYWSCEP-UHFFFAOYSA-N 424.553 1.953 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@]2(C)CN(C)C2=O)c1 1722310455 WIUSCKFVIWPLDE-JOCHJYFZSA-N 406.490 1.690 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364782 MNNXDTKWKUMXDV-PMACEKPBSA-N 415.563 1.825 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364790 MNNXDTKWKUMXDV-UXHICEINSA-N 415.563 1.825 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1722374903 GXGUDLFVGPDIDR-UHFFFAOYSA-N 423.502 1.081 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1722395466 FHSLNFUXHFMNFG-QGZVFWFLSA-N 400.508 1.109 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1722428118 CHZMQZDXVRXXRU-INIZCTEOSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@@H]2CCOC2)CC1 1722435847 VJZDQWKRQCJFCE-IBGZPJMESA-N 410.522 1.539 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2O)C1 1722453386 RQHQGXOCOPKJFS-UHFFFAOYSA-N 412.519 1.544 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCc1cnccn1 1722453402 SDCVZIXSDPUQQJ-UHFFFAOYSA-N 422.518 1.761 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOCC2)CC1 1722558914 CXJZECNGBIJKQR-UHFFFAOYSA-N 411.510 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722728036 NDRYSLFSKNCNKY-HUUCEWRRSA-N 409.556 1.182 30 10 HDEE CC(C)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1723418514 JOONMEXHUJKSQT-BMRADRMJSA-N 403.487 1.035 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1728805203 OPRCWBARVMEVKB-NJDAHSKKSA-N 416.526 1.539 30 10 HDEE COCCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1730699889 SVODKBTXSBEAEB-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1scnc1C 1730953808 BBOOWNFHCXFORA-UXLLHSPISA-N 418.523 1.739 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1740610492 CSINZDBIEJYXLO-MZEUMTGBSA-N 415.519 1.394 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740611977 YUOUVDKIDUZABO-UHFFFAOYSA-N 422.938 1.531 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCN(C)C1 1740658497 MPFSYGFPIFMGJU-XMMPIXPASA-N 416.529 1.811 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1740693090 TTWAMSCNKMXAEP-NYVOZVTQSA-N 419.570 1.483 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCC[C@H](C)C2)CC1 1740695583 XUNTZVNITCVKJL-WMZHIEFXSA-N 424.597 1.944 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cc[nH]n2)CC1 1740834330 RTQPCYFZHGIOHO-UHFFFAOYSA-N 412.498 1.070 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)C1 1740981245 OMBLIODWLOXISU-IAGOWNOFSA-N 411.572 1.302 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2ccnc2C)C1 1740986507 ZGHLADNWJIOOIS-OTWHNJEPSA-N 416.526 1.989 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1741103690 DHFAINIDUIOJNG-UGKGYDQZSA-N 424.505 1.319 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1748364704 ARTGSFZPVLRCBH-CQSZACIVSA-N 400.483 1.854 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCc1ccc(S(N)(=O)=O)cc1 1748834022 BKQTVVRWIONLJY-UHFFFAOYSA-N 423.498 1.809 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOCC1 1748918654 MPMNESHCQCKLNM-UHFFFAOYSA-N 411.506 1.898 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCOC1 1748945457 SYVHSPINJUMVSC-LAUBAEHRSA-N 400.454 1.712 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2COCCO2)CC1 1749329524 OHEGNFTUTVWDRM-HOCLYGCPSA-N 413.544 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749655787 SEAJRRKNQAYRSG-GASCZTMLSA-N 421.404 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749663503 IANCZNUUBDJMFU-QGZVFWFLSA-N 411.510 1.385 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cccc(O)c2)CC1 1749663970 UQXKXXVSRJUNJW-UHFFFAOYSA-N 419.489 1.675 30 10 HDEE CC(=O)Nc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1749907497 GDKQSILEANHPTH-SFHVURJKSA-N 406.450 1.414 30 10 HDEE Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1751467501 BMHXNVGXZACDOV-RMYFCYLKSA-N 412.450 1.598 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1conc1COC 1760198433 BLQKWWZQEHOMJQ-UHFFFAOYSA-N 419.441 1.972 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760206125 RHPQYSIMHBZXTA-PMACEKPBSA-N 423.517 1.830 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760526538 BMBKCYFANIMWMM-JOCHJYFZSA-N 408.506 1.224 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cs1 1762297295 STHNBPCEKQYCKG-KGLIPLIRSA-N 410.450 1.787 30 10 HDEE COCCN(C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769780697 OWOXKWJTMIIODJ-RTBURBONSA-N 417.558 1.274 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCCC1(C)C 1769843187 APZRYFGCKVFHMP-HXUWFJFHSA-N 401.515 1.986 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1F 1771493741 RBMIYDXMRHRDKM-AZOIQLNYSA-N 419.482 1.161 30 10 HDEE C[C@]12C=C/C(=N/O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(/C(CO)=N\O)[C@@]3(C)CC(=O)[C@@]12F 1848432757 XYIJJDWYOGFTMF-OLYUZOTBSA-N 422.453 1.351 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CC2)cc1 1851525566 NEIOKILEXSZCJH-NRFANRHFSA-N 420.444 1.830 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)nc1C 1852059110 ZGJBGTNOMQRLHD-KRWDZBQOSA-N 406.508 1.182 30 10 HDEE CCN(CC)CC#CCNC(=O)c1cc(Br)cnc1N1CCOCC1 1852493599 YSNUHWZCWNEFSD-UHFFFAOYSA-N 409.328 1.756 30 10 HDEE N#CCC(=O)N1C(=O)CCN(S(=O)(=O)c2ccc3c(c2)CCO3)c2ccccc21 1854410416 NXNDHWZGRXPCFI-UHFFFAOYSA-N 411.439 1.994 30 10 HDEE COCC(=O)N1C[C@@H](CN2CCC(COc3cccc(C#N)n3)CC2)CCC1=O 1854425681 OZHBFZZQLULQMJ-QGZVFWFLSA-N 400.479 1.456 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1 1855299854 ITUATXGSRSSNSD-RTWAWAEBSA-N 410.518 1.415 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1855961372 LQYCDDXIVJONPJ-AEFFLSMTSA-N 407.478 1.051 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2cccc(Oc3ccc(F)cc3)c2)CC1=O 1856630419 VSPFIAJARULYMF-UHFFFAOYSA-N 417.418 1.891 30 10 HDEE Cc1oncc1CN1CC[C@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)C1 1856843722 IUEHSXMBCSTUTE-FQEVSTJZSA-N 407.474 1.343 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2=O)CC1 1857306187 NZPJEWVXHHQZCX-IBGZPJMESA-N 417.531 1.745 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(OCC)c(OCC)c(OCC)c1 1861490116 MGWUXJZFIXGGSI-JKSUJKDBSA-N 406.479 1.760 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN(C)CCO 1870399112 DLNRHJPTMSHJSP-UHFFFAOYSA-N 413.474 1.679 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN(CC)CCO 1870651868 NIXHLJLZEVJKGP-UHFFFAOYSA-N 415.490 1.875 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701761 CVEIXCOHHBBBHF-UHFFFAOYSA-N 407.526 1.877 30 10 HDEE C=CCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(-n3cccc3)cc2)C1=O 1873038015 CBZXFHQUHLXWOJ-UHFFFAOYSA-N 406.486 1.665 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCCCO)ncnc21 1875229182 RXOOKOSULLMHEW-UHFFFAOYSA-N 419.526 1.927 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882611323 ZHRVEBNOVXTQHO-CQGGRAHPSA-N 424.519 1.929 30 10 HDEE COc1ccc(NC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1C#N 1890336268 NCUQTVVAVRKGTI-CQSZACIVSA-N 400.460 1.864 30 10 HDEE COc1[nH]c(=NCCONC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 1901385483 VKCAEIGEKJQASD-UHFFFAOYSA-N 409.292 1.680 30 10 HDEE C=C(CNS(=O)(=O)c1c(Br)nnn1C)B1OC(C)(C)C(C)(C)O1 2020861605 DMRAWAXSCPJQBM-UHFFFAOYSA-N 407.099 1.044 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)N2CCC(C#N)CC2)C1 2118168713 MJAAQJPOZQADQB-CQSZACIVSA-N 404.558 1.409 30 10 HDEE Cc1sc(C(=O)O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2162598818 MALKVDKWNYKGBE-LLVKDONJSA-N 415.493 1.888 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174782215 OCPMQOHHQYKTRC-WHDAMIPWSA-N 420.557 1.431 30 10 HDEE COC[C@@]1(NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174790036 XVWBCWDCVRVQCK-WMLDXEAASA-N 402.517 1.082 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNS(=O)(=O)N2CC[C@H](C#N)C2)O1 2181216254 QJAPVZYSSYLSSU-RBSFLKMASA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2183272424 SWYCJPZUOXSTKX-CABCVRRESA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@@H]1C(F)(F)F 2186675945 LBDAFPXQKOBXDS-VXGBXAGGSA-N 412.434 1.560 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NCC1CC(O)(C(F)(F)F)C1)C(F)(F)F 2188134207 SPLOPTXWTHRXQL-BFBHXSMHSA-N 404.229 1.806 30 10 HDEE CCOC(=O)CS(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2241207289 MERQOPWNWYYARD-UHFFFAOYSA-N 404.681 1.339 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@H]12 2243429701 GVVRFKUILZNMKO-RBSFLKMASA-N 406.288 1.372 30 10 HDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548765 UFMBHDCEFJRZPB-CQSZACIVSA-N 412.292 1.599 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247857162 FAFMZRRNNDOLLE-UHFFFAOYSA-N 420.319 1.811 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2255750255 HDZKCBGJOHUWCT-CYBMUJFWSA-N 415.342 1.573 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCCN1 2282307546 DSWBLTRSGHYWLE-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)CCN)ccc1B1OC(C)(C)C(C)(C)O1 2282311149 DQTVRZUJHGATAQ-VWLOTQADSA-N 402.347 1.039 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314645 CFZLFQWACRUGRJ-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CN(C[C@@H]1COCCO1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340370 FBXRIZZYPFYQOO-CYBMUJFWSA-N 403.331 1.083 30 10 HDEE CO[C@H]1COC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282411052 ZZMUHXUFEBWIEW-NEPJUHHUSA-N 403.331 1.048 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2OCC[C@H]2F)OC1(C)C 2282507445 HURWWHVGSRXFGW-CHWSQXEVSA-N 405.322 1.594 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282703525 XKDPKEKYFKDSCK-LLVKDONJSA-N 402.347 1.057 30 10 HDEE CC(C)[C@](C)(CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842898 FHVIJFVKKMBQGA-KRWDZBQOSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(CO)CCCC3)c2)OC1(C)C 2282859265 KCMPLOFVDVHSTD-UHFFFAOYSA-N 401.359 1.878 30 10 HDEE C[C@@H]1[C@@H](N)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871691 KUSNQYUQLIKIRW-OCCSQVGLSA-N 400.375 1.689 30 10 HDEE COC[C@@H]1C[C@H]1NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282872347 VGHCZWACALOWOO-QWHCGFSZSA-N 401.359 1.977 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)OC1(C)C 2284408174 SVAUNXZBXXQGLH-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)CC1=O 2327844298 TUCZUPKACLBRAP-ZDUSSCGKSA-N 416.507 1.558 30 10 HDEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1S(=O)(=O)CCS(C)(=O)=O 2362591597 MXLLDKCUBCRBLH-UHFFFAOYSA-N 407.363 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200935 CQJQFSANQGXXCA-AUUYWEPGSA-N 401.525 1.923 30 10 HDEE CC(C)(C#C[C@@H](N)[C@H](O)c1ccc(I)cc1)S(C)(=O)=O 2365211376 NQLKVEQZHWZSED-CHWSQXEVSA-N 407.273 1.479 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365212672 QZVNHQHKRCROBV-QCUYGVNKSA-N 400.541 1.019 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367789006 QZJHWWOGXWLNSN-XHSDSOJGSA-N 401.525 1.780 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367806911 OJEYEOCUUADOED-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(C)(NC(=O)OC(C)(C)C)C1 2375226405 JTHQOLCULMAPGA-TZYSRNFLSA-N 400.497 1.009 30 10 HDEE Cc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)s1 20911326 USQBEPDRQMSSBP-SYZQJQIISA-N 406.501 1.919 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@@H](C#N)[C@H]3c3cccnc3)N2)CC1 72444665 RRYSRZNFCOQUHZ-LSDHHAIUSA-N 422.445 1.248 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3cccnc32)cc1 96520599 YCXVUGGQDNQBFA-UHFFFAOYSA-N 404.404 1.111 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)N2CCOCC2)OC1(C)C 405055900 YFYHYSFLHSAXDF-UHFFFAOYSA-N 402.709 1.628 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 430289374 JWEPMAUPGXERHL-UHFFFAOYSA-N 408.506 1.700 30 10 HDEE C=CCc1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc(OC)c1OC 439937673 BZGLRCGUXYCYRS-LAQRGFTBSA-N 417.458 1.998 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nn(CCC#N)c1C 439941085 IXGMMJCOLXVYFZ-PSBWJHGTSA-N 416.478 1.298 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 463879646 BWCWQVFTEGSZHC-HOCLYGCPSA-N 421.519 1.805 30 10 HDEE CN1CCN(C(=O)Cc2cccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)c2)CC1 472405014 HGXUKTWUKQFGON-UHFFFAOYSA-N 419.485 1.243 30 10 HDEE CC[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 474682245 KETVLFCYJLGRFF-XQBPLPMBSA-N 412.490 1.639 30 10 HDEE COC(=O)c1cc(F)ccc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505564710 PJYZMMYIRJXRMZ-UHFFFAOYSA-N 417.462 1.990 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1C 508225133 INQRISSUUHHPDD-CYBMUJFWSA-N 404.496 1.345 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508481379 QEVMRZUIELSSOA-RTBURBONSA-N 404.559 1.199 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 508684499 XXCWBJQAZUDSMI-FHWLQOOXSA-N 419.551 1.124 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 508729858 KTBXEBVFQHQMFC-SJLPKXTDSA-N 418.519 1.650 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 508893315 GWMWLFRLYQSRMT-XSLAGTTESA-N 405.568 1.677 30 10 HDEE C=C(C)CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1cnn(C(C)C)c1 512516240 CSLZFCFGGOAICH-UHFFFAOYSA-N 413.526 1.680 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N3CCCCC3)cc21 526839716 FMYGYQCPPDWFQZ-NDEPHWFRSA-N 404.488 1.542 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCCC1 545356596 GGMOTOAYVBTXLC-IBGZPJMESA-N 418.563 1.887 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 549290637 DGHKMPQQZARJAA-HZPDHXFCSA-N 424.571 1.303 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@@H]2CCOC2)cc1 549682235 VINIRVQUKYSOFX-OALUTQOASA-N 424.505 1.286 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NCCn1cnc(C#N)n1 552327934 HOXCGGFOPXRGRU-UHFFFAOYSA-N 412.269 1.054 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 558919999 ZXFIPLKCQUCLAA-UHFFFAOYSA-N 418.519 1.694 30 10 HDEE CC1(C#N)CN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)C1 569178179 XYVFNCBPORTOOF-JPDRSCFKSA-N 401.466 1.838 30 10 HDEE CC(C)(C)c1ccc(=O)n(CCN2CCN(c3nc4c(cc3C#N)COCC4)CC2)n1 585585808 KTRDEGWNQRXNHD-UHFFFAOYSA-N 422.533 1.702 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)c(F)c1 585729605 JVZHUYQZEZUELF-UHFFFAOYSA-N 404.511 1.791 30 10 HDEE CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)s1 604275471 VEWKBISONYIBEY-CYBMUJFWSA-N 419.532 1.723 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610981656 FMHYQJUSCIFIEU-HNNXBMFYSA-N 421.519 1.807 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 610982374 AZAJFSZWHOUVKB-FQBWVUSXSA-N 411.458 1.479 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c(F)c1 611360604 JDFPGAOSWDBCBQ-HNNXBMFYSA-N 408.389 1.157 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCCN(C)C3)nnc12 617413046 AKQYQSJGGZOHKM-AWEZNQCLSA-N 412.519 1.533 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1c(C)cnn1[C@H]1CCN(Cc2ccccc2)C1 679530396 HLHLCZVDKJYCQW-IBGZPJMESA-N 411.506 1.896 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1 729334450 PKYFPUOOEOVHDR-SFHVURJKSA-N 408.483 1.991 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 730142163 MZNCFTMXJHEIMB-HNNXBMFYSA-N 424.473 1.921 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@@H](C)c1cccs1 730143764 DTZDCQHLIJKSIT-ATLBSJNBSA-N 412.581 1.823 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccoc2)c1=O 732795779 XKJYZCHVEJADQP-UHFFFAOYSA-N 423.416 1.745 30 10 HDEE COC(=O)[C@@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C#N)cc1 739999904 MRPLMRSYAJBUQJ-HNNXBMFYSA-N 401.435 1.626 30 10 HDEE COC(=O)[C@@H](OC(=O)c1c(F)ccc(S(N)(=O)=O)c1F)c1ccc(C#N)cc1 740238111 SOOYIBFWMDROLM-HNNXBMFYSA-N 410.354 1.555 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCc1nc(-c2cccc(Cl)c2)no1 746021508 GLHFWBJFBMWRLE-ZPHPHTNESA-N 415.837 1.965 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)CC1 747742224 QPSPAZVAELNYNE-UHFFFAOYSA-N 419.547 1.466 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NC1CCN(C(=O)C2CCCCC2)CC1 751724653 MRNWZNKBEOLDAU-UHFFFAOYSA-N 400.479 1.741 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](O)c1c(F)cccc1Cl 752963345 GBWUFDXOEMNJKN-ATUVIUNDSA-N 410.833 1.727 30 10 HDEE CC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 758949957 XCEGJRNBKDLSNV-LLVKDONJSA-N 416.297 1.502 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 759062819 AOUOIIWQRBKYRH-DNZUHHBVSA-N 406.483 1.666 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccn(C)c2)c1=O 763447417 UBECYJVTKOUYTF-UHFFFAOYSA-N 413.499 1.074 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 767432069 DYPOPMBCHFRMAV-INIZCTEOSA-N 417.572 1.471 30 10 HDEE O=C1Nc2cc3c(cc2C1=NOCC(=O)N1CCC[C@@H](C(F)(F)F)C1)OCCO3 774801752 CHPFPRMFGZUWOV-SNVBAGLBSA-N 413.352 1.932 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1 780929702 CJLMXEVFVLFQMI-OAQYLSRUSA-N 408.458 1.525 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 781648457 HDNHVABWMUKITJ-MRXNPFEDSA-N 412.515 1.085 30 10 HDEE C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)[C@H](O)c1ccc2c(c1)OCO2 787743142 XLZSWVSMWRQWDX-BUXKBTBVSA-N 405.414 1.907 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3ncccc3C#N)CC2)=NO1 788628266 XNDRAUOBWDGJNF-HNNXBMFYSA-N 414.466 1.271 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)cn2)n1 788695046 BLPNMVXUDBXTDZ-UHFFFAOYSA-N 402.398 1.767 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2cc(-c3ccccc3)on2)n1 790104464 BRTHNGRGPZPJCT-UHFFFAOYSA-N 421.457 1.576 30 10 HDEE C#C[C@@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 798362327 FJEITRGQPPLSGT-DLBZAZTESA-N 418.567 1.560 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)NCC2CCC(C#N)CC2)cc1 799603403 QBGBEFDCMBQNFR-UHFFFAOYSA-N 421.519 1.904 30 10 HDEE CN(S(=O)(=O)CC1(C#N)CCC1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 809806043 YEPHQVKHVWJADC-UHFFFAOYSA-N 407.857 1.892 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)c1 810165694 YYXQYMRKWYMDCC-BKGXCPHWSA-N 406.508 1.877 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)OCc1ccccc1 814287202 YDOYYWNITSGBLT-SJCJKPOMSA-N 408.863 1.983 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cncc(C#N)c3)C2)ccn1 856545321 YPVCESKZHHTWFE-GOSISDBHSA-N 401.492 1.642 30 10 HDEE COC(=O)CC1(NCc2nnc(-c3ccc(C#N)cc3)o2)CCS(=O)(=O)CC1 1116709296 IOVQJABVUBPTGT-UHFFFAOYSA-N 404.448 1.208 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)CC2=O)cc1 1133340623 MYSNULGBOXZBCV-ZDUSSCGKSA-N 424.438 1.276 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nnc3c2CCCC3)c1 1136282068 XOMFVYUMPANQRK-RELWKKBWSA-N 416.507 1.608 30 10 HDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(C)s1)C(=O)OC(C)(C)C 1137700718 XHRLDDXGEVWCEE-UHFFFAOYSA-N 415.537 1.321 30 10 HDEE C#CCCOc1ccc(C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 1137943549 GVPWBNNSRAGNIR-UHFFFAOYSA-N 414.483 1.900 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc3c(c2)OC(F)(F)O3)cc1 1144317370 MUDBULPSAMXAJC-UHFFFAOYSA-N 423.397 1.517 30 10 HDEE COc1ccc(CN(C(=O)c2nc(O)c(C#N)cc2C)[C@H]2CCS(=O)(=O)C2)cc1 1144408910 MHMYKDHHICMYEF-INIZCTEOSA-N 415.471 1.805 30 10 HDEE COc1ncc(Br)cc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1147675706 DBKASKLNQBLJHQ-PFONDFGASA-N 409.240 1.385 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3(CC(=O)OC)CCOCC3)n[nH]2)c1C 1148345399 XKERJNTWKNHSID-UHFFFAOYSA-N 401.467 1.918 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2Br)C1 1158398854 ZVPDFMQNHVERSU-CQSZACIVSA-N 411.321 1.507 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](c2cn(C)nn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1159128931 YBOIHGUMHXCXHC-ZIAGYGMSSA-N 416.507 1.038 30 10 HDEE Cn1c(N2CCc3cc(Cl)cc(Br)c3C2)c(C#N)c(=O)n(C)c1=O 1164220914 OSQKVAIYGGODMH-UHFFFAOYSA-N 409.671 1.934 30 10 HDEE C=C(CO)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1167640975 XXOLNUXTSMCGDR-MRXNPFEDSA-N 419.526 1.721 30 10 HDEE Cc1ccc(S(N)(=O)=O)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1171843157 AJDHEYMDCAECJL-UHFFFAOYSA-N 402.451 1.616 30 10 HDEE C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1180064255 YQHMKVWAFGXCKP-GOSISDBHSA-N 419.547 1.785 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(CS(N)(=O)=O)CC1 1182609507 RGVWVJPYPAZZSO-UHFFFAOYSA-N 400.298 1.390 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 1191333725 OIFRSDXDTMAXED-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2[C@H](CO)CC[C@H]2CO)cc1 1195588355 DDELKLDTJZJZMI-ROUUACIJSA-N 412.490 1.731 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1286408194 BDZFYMYPLJXRAK-VFNWGFHPSA-N 400.429 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1286428587 DHXUKQWBACZCIL-DLBZAZTESA-N 405.458 1.532 30 10 HDEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286694338 BLPMAYYNJRSMFZ-OAHLLOKOSA-N 420.514 1.489 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286782341 RTUINLYZGCHAPY-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286783453 RQKUAKLMRRTZBH-QFIPXVFZSA-N 424.505 1.841 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2csc(COC)n2)C1 1286807747 GHULNABKUNYRHP-LSDHHAIUSA-N 418.523 1.662 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1290416968 DOLYMAMKWHGJSX-CXAGYDPISA-N 424.527 1.511 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1295161848 KYMHTHFMYZZZDF-SJORKVTESA-N 421.498 1.815 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1300021487 YIJNHJGDAMYVKB-MSOLQXFVSA-N 402.495 1.871 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1300404019 SYAOCQQWUACOLH-MRXNPFEDSA-N 414.510 1.576 30 10 HDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCS(=O)(=O)NC 1300441554 RJISZSBKYLAFAT-ZDUSSCGKSA-N 407.565 1.750 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300764573 XYMVEPAKBFCNDI-QZTJIDSGSA-N 416.551 1.559 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1300801400 PSLHIVYAQNUVRF-HNAYVOBHSA-N 400.508 1.552 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)C)CC1 1300873613 KQFCGCUQUOUCAK-QZTJIDSGSA-N 404.559 1.928 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCCCC2)C1 1301474738 GZURPEHRSJCUGV-UHFFFAOYSA-N 400.527 1.977 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301491982 UBHUFCINVKGPMU-SJORKVTESA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCSC[C@@H]1C 1301508885 WVAWRSNDCBLKBO-HNNXBMFYSA-N 411.535 1.761 30 10 HDEE C=CCC1(O)CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1303788696 UKUDMMNCSQKCIN-UHFFFAOYSA-N 409.504 1.941 30 10 HDEE C#CC[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1312322334 QAPMZZUZZFEJGR-KQNFGGRRSA-N 418.515 1.949 30 10 HDEE C[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)[C@@H]1CCNC(=O)OC(C)(C)C 1312661005 HYQLIGJLNILALW-LSDHHAIUSA-N 405.503 1.875 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CCO1 1315014028 TZJAMLQMPOJGNJ-ZWKOTPCHSA-N 424.505 1.583 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1315817975 YBXMGTVNVWYEMT-MSOLQXFVSA-N 400.458 1.906 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1320673026 IQERBDRTBWSCIC-KRWDZBQOSA-N 408.439 1.429 30 10 HDEE COC(=O)NCCc1ccc(S(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 1338808315 GCLJKPJOCGCUAU-UHFFFAOYSA-N 421.500 1.970 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1356231934 RCTJRKZDEJEWKG-HXUWFJFHSA-N 401.507 1.770 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1358939574 ZHROUSQYIJUUFF-FGTMMUONSA-N 424.615 1.716 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1359008576 SZQHMCQCNNMZJB-HNNXBMFYSA-N 404.515 1.994 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1359055741 NZGPLYJAGKERMR-HNNXBMFYSA-N 407.540 1.431 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359238627 RVPDKOKACKMDCK-CYBMUJFWSA-N 406.487 1.145 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1)C1CC1 1359251886 YFGIJSAQEKZPGR-INIZCTEOSA-N 409.556 1.956 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1360247665 DTQWBKJIGUBHKM-FZKQIMNGSA-N 404.496 1.114 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1447478837 DOGCZWOUFREVGT-GXTWGEPZSA-N 419.482 1.864 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1451789425 AMPDJSKEEMQLER-ZTFGCOKTSA-N 404.488 1.833 30 10 HDEE CCN1CCN(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)C(=O)C1=O 1451969078 FDKKEYRAEDKMOU-ZDUSSCGKSA-N 410.396 1.637 30 10 HDEE COC(=O)c1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OCC(F)F)c1 1453661134 RSKCBRFTVIAHMU-ISLYRVAYSA-N 423.372 1.972 30 10 HDEE Cc1ccc(C(=O)N2CCc3ccnc(N(C)C)c3C2)cc1S(=O)(=O)NCC#N 1457223885 YRRHFYZGAUXDMQ-UHFFFAOYSA-N 413.503 1.456 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 1460025292 CNUBSCIJKRMYKK-UHFFFAOYSA-N 402.407 1.350 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](n2cccn2)C(F)(F)F)c1 1464147463 PXNUWZGDLHRIRI-AWEZNQCLSA-N 402.398 1.881 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc4c(nc3O)CCC[C@@H]4O)C2=O)cc1 1466821115 CIARDXSUZSTSNS-MOPGFXCFSA-N 406.442 1.954 30 10 HDEE N#C[C@]12CN(C(=O)NCc3c(Cl)cccc3-n3ccnc3)C[C@H]1CS(=O)(=O)C2 1470317474 FPUAPEKSXPXBHM-SCLBCKFNSA-N 419.894 1.605 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN3C(=O)Nc3ccccc3)C[C@H]1CS(=O)(=O)C2 1472036467 VTXYWYHWCAUYJQ-QOKNQOGYSA-N 402.476 1.080 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCCOc1cccc(C#N)c1 1473651779 RYVWSDZRJMSXPV-NRFANRHFSA-N 405.495 1.915 30 10 HDEE CO[C@H]1C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)Cc3cccnc3N2C1 1473713943 FZPYURNVYJJTPV-MSOLQXFVSA-N 413.503 1.231 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 1476248682 OHCGYWCYFHWAQO-CVEARBPZSA-N 406.508 1.670 30 10 HDEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1497445750 AUBAGIBIONMNOB-YJBOKZPZSA-N 409.556 1.861 30 10 HDEE CCn1cccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1502235097 CHZORITUAPTYMP-IBGZPJMESA-N 422.464 1.967 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1503213581 HONPGHCCZJUHOD-QGZVFWFLSA-N 419.507 1.389 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC[C@@H]1COCCO1 1504886556 KMEBNKIMENQVHC-QGZVFWFLSA-N 400.483 1.821 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2CCOC2)c1 1505314454 ZSRCIIIEMTYRAX-INIZCTEOSA-N 424.505 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1507539561 WOPJKANRGQDWJQ-CVEARBPZSA-N 410.540 1.081 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1507562830 OHSTZFWHTURFMZ-NRFANRHFSA-N 419.493 1.426 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1507573002 BZTCNGMLCAFEBW-RDJZCZTQSA-N 409.556 1.555 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1507631517 QFTYWGPGFFDCRU-QGZVFWFLSA-N 419.551 1.089 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1 1507653294 MJCQGJDBXQDMHJ-UWVAXJGDSA-N 404.536 1.601 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1 1507654184 XIGPVMNVDVDGLU-GOSISDBHSA-N 418.563 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCN(C)C1 1507705985 ZUFJGXKQHYJLTL-IBGZPJMESA-N 404.902 1.146 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507709929 FMYVCSAMRKATSR-QZTJIDSGSA-N 415.542 1.264 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCOCC1 1507712441 YIVOALIVLYQLFN-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCC[C@H]1C 1507713158 ZFNQGOQUVVUWQI-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccc(C)cc2)CC1 1507715848 JDFBTFMYMYGCCC-UHFFFAOYSA-N 422.533 1.657 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2ccsc2)CC1 1508094494 GNEAPJXPRZLCAS-UHFFFAOYSA-N 400.552 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508133324 HBXGTPSJJQHNDO-LSDHHAIUSA-N 419.507 1.162 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1517237201 XRAIUMKRBNXCLO-UVTIVQHFSA-N 402.499 1.575 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC1(O)CCOCC1 1519425647 SMCDNYRWUSXXGI-IRXDYDNUSA-N 419.526 1.674 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCC(=O)NC2CC2)CCO1 1521136412 FBNZYJCWUYSXCR-INIZCTEOSA-N 400.508 1.718 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)[C@@H](C#N)CC 1530451756 JKTLSRPIEJWJEF-OAHLLOKOSA-N 408.524 1.396 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccnn3C)C2)ccc1F 1536598666 MBBGCTGNFRICLY-MRXNPFEDSA-N 408.455 1.237 30 10 HDEE C[C@H]1CCc2nc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)c(C#N)cc2C1 1537836360 KANGWZKXOGNCMG-NSHDSACASA-N 404.430 1.276 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1538970115 AAESSJXLFFTPEI-BZSNNMDCSA-N 424.615 1.714 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOCC1(C)C 1539175244 TUXHPAJRVFKXKA-UHFFFAOYSA-N 421.505 1.774 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1539179744 RHQRIEXZDJWXFI-OAHLLOKOSA-N 420.514 1.182 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CSCCS1 1539238576 ZWXWNMKVTNFODT-APWZRJJASA-N 406.577 1.852 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)N(C)C 1539250272 KIKKIAWGUFLIFO-HXUWFJFHSA-N 415.505 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1539307834 YISULMVTTLVMGX-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1539368708 BDYQKAPNZRXWOA-AWEZNQCLSA-N 415.585 1.212 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@@]1(O)CCN(C)C1 1539392293 OSWMEPRHWNMJJS-DENIHFKCSA-N 413.497 1.975 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1539509994 CJJPQNSGMHVVHC-UHFFFAOYSA-N 421.534 1.527 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539512274 BKGMBGJBBNUXNO-OXJNMPFZSA-N 416.551 1.819 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1539965837 BOYZJKTUUNFXKA-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1540073947 VGMSBPXTFILLRX-QGZVFWFLSA-N 421.523 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1540897418 IOEGFSNKRKOXSV-MRXNPFEDSA-N 400.545 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1540901859 RMWHQEXKKQEPEW-UHFFFAOYSA-N 401.496 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC(C)(C)OC[C@@H]1C 1540903305 BCHQASOHHIJAOW-INIZCTEOSA-N 419.551 1.868 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1541111161 GFEMWIWXOMIBHN-OAHLLOKOSA-N 424.484 1.772 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541150360 GASJUHXWRSJMEX-JUWJPQTCSA-N 401.446 1.544 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1546580656 ZELUKSIWVKXHPZ-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE CCS(=O)(=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1548323235 JDDFTCSTHNYWON-UHFFFAOYSA-N 418.523 1.545 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552729552 YKKBIBNBJHMBAM-UHFFFAOYSA-N 403.446 1.568 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCSC2)CCO1 1555994043 FECZVRHDGRCLDQ-KXBFYZLASA-N 403.483 1.605 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nn1 1556453776 JQRNKAXTQIQJLU-AEFFLSMTSA-N 402.886 1.725 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)n1 1556461051 NXTXVLZNEATGNO-FQEVSTJZSA-N 410.522 1.896 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2nc(C)cc(O)n2)ccc1F 1557314901 SDQRMZQHEOPVDO-UHFFFAOYSA-N 408.455 1.759 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)c1 1558739134 AWVSAIYJOQDFPQ-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1560058404 BNZLOMGTJDUQCI-HSZRJFAPSA-N 412.486 1.966 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1560210059 IEFMNELHUFUKID-NVXWUHKLSA-N 415.437 1.616 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1564119850 GTFDKSWTCVZKNG-HOTGVXAUSA-N 405.501 1.898 30 10 HDEE Cn1nc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(F)(F)F 1564530473 CXHFYKSRAYXKAH-JQWIXIFHSA-N 416.404 1.997 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1SC 1564690107 NZRFYLOHYURESR-TVFCKZIOSA-N 402.520 1.867 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1564846678 APNWGMYEXNIZNB-LJQANCHMSA-N 402.495 1.406 30 10 HDEE C#C[C@@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1 1564995909 KBMMNFPKXAJIPL-LJQANCHMSA-N 410.449 1.574 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)cc1 1565275801 NWQNZYFZHICZOB-UHFFFAOYSA-N 408.462 1.183 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(NC(=O)C(F)(F)F)cc2)CC1 1565590003 IPZFFRUZDNSVSZ-UHFFFAOYSA-N 424.423 1.014 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 1569240844 MVJGVGNYKSSFEH-UHFFFAOYSA-N 400.456 1.324 30 10 HDEE COC(=O)[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccnn1C 1585890206 YRYSDELSSMXUNV-UKRRQHHQSA-N 407.471 1.728 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2c3ccccc3C(=O)N2C)s1 1587312770 FHGQHGIQRDISTO-MRXNPFEDSA-N 419.528 1.698 30 10 HDEE C[C@]1(C(=O)N2CCN(CCC#N)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1587545887 GRBWOQMMLBPFFP-GHTZIAJQSA-N 400.479 1.206 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1587661451 BQACVCHPNXEPRA-INIZCTEOSA-N 414.535 1.678 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1588271913 RDVOHWWMWKXZEH-HXUWFJFHSA-N 401.467 1.299 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1588314926 VOVDXTLICOMJLL-UHFFFAOYSA-N 421.523 1.679 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCC1CCOCC1 1588560508 RAINJZJDGDSLNE-UHFFFAOYSA-N 403.527 1.807 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C)C1=O 1588595671 YCECKQUUWFJJOD-HXUWFJFHSA-N 412.450 1.418 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)OC)CC1 1595490748 YYKUNTOWSUTLDB-UHFFFAOYSA-N 418.885 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1595536682 FLMRJRAGARKXRL-HNNXBMFYSA-N 421.505 1.823 30 10 HDEE N#Cc1cncc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 1596855687 JVJUMKXHGSMKKC-MTCRFPMVSA-N 403.442 1.373 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1598054853 LWMIVDGGEIHWGW-INIZCTEOSA-N 423.521 1.646 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1611243767 AYSXBJGVTGINSZ-HIFRSBDPSA-N 405.455 1.325 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1611313818 FAQVIJYGEWKQJL-OAHLLOKOSA-N 419.493 1.972 30 10 HDEE CCCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1614572919 ILBKPVNQWBMMNI-HZPDHXFCSA-N 411.528 1.116 30 10 HDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617166234 XEIJNEVKJKEEIP-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE CN(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1617699395 DDHSNNWEPJINPT-SFHVURJKSA-N 411.510 1.315 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1623844452 YABAVGRWGCOLKX-AWEZNQCLSA-N 423.963 1.810 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C(=O)OC 1624256745 NFGKDGWFKBZDLB-HNNXBMFYSA-N 412.508 1.963 30 10 HDEE CON=Cc1ccc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1625566953 QTOGOZFLMIVMQR-UHFFFAOYSA-N 422.429 1.258 30 10 HDEE Cc1cnc(Br)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1626392282 TWDFWGBREWVRAB-UHFFFAOYSA-N 409.265 1.830 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 1626560796 GNGQYBXOQDEURK-SFHVURJKSA-N 417.462 1.825 30 10 HDEE CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1626656151 RKPPICKZDNSVMK-YJBOKZPZSA-N 410.517 1.271 30 10 HDEE N#C[C@@]12CN(C(=O)CCCc3nc(O)c4ccccc4n3)C[C@H]1CS(=O)(=O)C2 1626656429 YPAJCBYIKFCWTH-DJJJIMSYSA-N 400.460 1.055 30 10 HDEE C#CCSCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628385296 NFRICOLDBYCMJH-SJLPKXTDSA-N 410.561 1.417 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 1628662003 HEIUHINQJFNDMH-FQEVSTJZSA-N 416.437 1.687 30 10 HDEE C=CCCn1cc(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)nn1 1628968563 LRJDGVRUELHNHW-UHFFFAOYSA-N 410.478 1.154 30 10 HDEE Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1-n1cnnn1 1629787291 KJKBXKFTFAPFPX-UHFFFAOYSA-N 400.395 1.659 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)C1CCOCC1 1629889165 MJVHRJWOKYVCFF-KRWDZBQOSA-N 424.519 1.307 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1631155861 ACVBSMGTGRNGET-UHFFFAOYSA-N 422.551 1.140 30 10 HDEE N#Cc1cccc(ONC(=O)CNS(=O)(=O)c2ccc(Br)s2)c1 1631983143 MZJWONILPQUBTB-UHFFFAOYSA-N 416.278 1.771 30 10 HDEE COC(=O)N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1632161473 CMKBOMFYFBPYJE-KBPBESRZSA-N 404.854 1.912 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21 1632880731 YITUTOFWJOEYEF-FMSZJNSPSA-N 416.275 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1 1632960444 GUKBDUAIKPRLRX-UHFFFAOYSA-N 409.817 1.584 30 10 HDEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1634818776 VNLQWPMUNJWSHO-AWEZNQCLSA-N 401.529 1.176 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)n[nH]2)c1C 1636316543 HOBBJBUXBOEAAN-HNNXBMFYSA-N 412.494 1.179 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccccc2)s1 1637004538 GFZKZTVBOMKTLH-KRWDZBQOSA-N 408.501 1.785 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2ccc3c(c2)OCCCO3)c1 1639071604 DFMPSVXWDPVTQH-UHFFFAOYSA-N 415.471 1.357 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C1(C)C 1640584020 GBOSZJULHPOLDT-RTBURBONSA-N 410.522 1.766 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1640718836 JILSDSFBFPQZOU-UHFFFAOYSA-N 423.494 1.905 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](CO)c1cccc(Cl)c1Cl 1640950482 GMNGTIXCMBLYOX-CYBMUJFWSA-N 411.245 1.709 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 1641463416 HPJYFHSHEPNZIL-KDOFPFPSSA-N 415.519 1.611 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C[C@@H](O)CC3(C#N)CCC3)C2)C(=O)C1 1645344800 PWNDIZDZKASOAK-ROUUACIJSA-N 420.554 1.975 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncc(C#N)c3)CC2)cc1 1645990206 VMQDNSHZXGDZTK-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C(=O)OCC 1651055323 XPBBTFWWYPMSQC-UONOGXRCSA-N 420.528 1.329 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)c1 1656256253 SZSUSPNCCSIIEU-OAQYLSRUSA-N 408.414 1.993 30 10 HDEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC12CCC2 1659388079 PFQYVFXMRYLVFE-UTKZUKDTSA-N 408.518 1.436 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cccc(C(=O)OC)c2Br)CC1 1665123743 IONNJSIHWDGEEX-UHFFFAOYSA-N 402.266 1.385 30 10 HDEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1667255829 HNUZUPPXKNNSRO-KRWDZBQOSA-N 405.520 1.930 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1668727325 BUGKXENIPBGKAR-SFHVURJKSA-N 417.506 1.706 30 10 HDEE Cc1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1Br 1671717603 ARGRFYYTHBTTPX-BBRMVZONSA-N 412.309 1.837 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1682360252 MTUOKCLGSVXHNK-INIZCTEOSA-N 413.540 1.608 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 1683574550 RSCSHFNFIRWNSV-UHFFFAOYSA-N 418.523 1.638 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O 1686978300 SUBWUDZUFNDPJL-QFBILLFUSA-N 404.536 1.741 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689922954 GJYOJTRRNJEODQ-UHFFFAOYSA-N 402.524 1.614 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986509 RGISCWWTVSJCEQ-ZACQAIPSSA-N 417.535 1.715 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1690174983 NMIYRISPVWVVAI-KRWDZBQOSA-N 401.540 1.657 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)[C@H](C)CC 1690189778 BMFMWZDSUCJEAN-JTDSTZFVSA-N 410.588 1.611 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC(=O)N2CCOCC2)CC1 1690362554 HMKSXPXRFFLAFU-UHFFFAOYSA-N 418.542 1.602 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690373135 AHQLMWSPIYQOCB-IGGDJGDASA-N 412.494 1.855 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CC(=O)NC)CC1 1690722408 IFVPOVCHGMMCQW-UHFFFAOYSA-N 420.539 1.227 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[C@H]21 1690728995 CQUJODNJNJGBSR-IAGOWNOFSA-N 404.540 1.729 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)NC(C)C 1692213110 BCRIPGNGSRKFKM-UHFFFAOYSA-N 424.553 1.985 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1692543449 JUVDVQDGRZUXMR-KRWDZBQOSA-N 410.478 1.518 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705514946 ODLSZIHDTKCMDB-UHFFFAOYSA-N 416.551 1.970 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705553486 QSAZNBBQYBKOEK-QUCCMNQESA-N 421.549 1.509 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1705624406 AEIKWXXRCSGFMX-UHFFFAOYSA-N 408.437 1.712 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCC1(O)CCOCC1 1705630384 RHFYECWEOSFMGM-UHFFFAOYSA-N 419.551 1.651 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCS(C)(=O)=O)CC1 1705637228 OBQLNVFSQUKXLA-UHFFFAOYSA-N 421.954 1.788 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSC(C)C)CC1 1705639965 ZYVRVITVTYLGMS-INIZCTEOSA-N 411.597 1.077 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)noc2C)CC1 1705642233 MFHKBYZKFNRBQJ-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705701449 GPKWIPHFASDIOG-NJAFHUGGSA-N 416.526 1.588 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705747078 DPGRVWXCKMBCSQ-TZMCWYRMSA-N 413.935 1.716 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705782391 WADWTFVYCBCYGU-MSOLQXFVSA-N 423.583 1.856 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1705792229 POTSUBFVRZOLLX-CQSZACIVSA-N 416.569 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1705898427 LMSYODYRNYYQKM-UHFFFAOYSA-N 424.505 1.362 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1706069949 INNYWBSHJFTXEN-CBGDNZLLSA-N 416.526 1.838 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)cc1 1707567348 HZTAOZNUAAQJBS-HNNXBMFYSA-N 400.508 1.696 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1708112734 QJTCKPMTJJNDOE-CABCVRRESA-N 402.524 1.991 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1711281052 DUSIPKPMSUKRNT-UZLBHIALSA-N 405.522 1.250 30 10 HDEE CO[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711510010 AVZUWZNNCJKRHP-HZPDHXFCSA-N 419.493 1.752 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1712454918 MVXRCEUNPCHFTJ-FQEVSTJZSA-N 410.482 1.112 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1712887579 LRULIRNMAPGWGH-QGZVFWFLSA-N 409.494 1.844 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1722296065 NFEBSMXSHJFWPI-SJORKVTESA-N 423.583 1.895 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1722349593 SXOYIUOGCDDQFY-UHFFFAOYSA-N 405.480 1.071 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1722398315 ZLMHUWDNLHITMS-OAHLLOKOSA-N 417.560 1.710 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1-n1cccn1 1722429483 RPTSTTYNAGUWBR-LJQANCHMSA-N 421.505 1.887 30 10 HDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1722486959 HOLVJFJGAFPQGY-UHFFFAOYSA-N 420.377 1.905 30 10 HDEE C=C(C)COCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722536855 RGEYRMUYNVWPBJ-LEWJYISDSA-N 421.542 1.613 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1722592493 YXQIKIMTSPJSAN-HNNXBMFYSA-N 404.515 1.302 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722628376 BETTYEYLSYYTHU-MSOLQXFVSA-N 413.526 1.447 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1722628396 BRPJQSOOJUGFBJ-QFIPXVFZSA-N 423.521 1.811 30 10 HDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722630141 WJSVWOJUYGEQRI-GOSISDBHSA-N 417.485 1.552 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1722692816 XUKYATBPYOKULX-GJZGRUSLSA-N 408.572 1.829 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C 1722703609 DCUXYFJYNAXLTD-MRXNPFEDSA-N 412.542 1.773 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnnn2C)C1 1722722718 SGFCROPNJFWULX-SFHVURJKSA-N 409.494 1.836 30 10 HDEE CC(C)=CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723044371 LJMIHMQAIOJFGG-RDJZCZTQSA-N 421.571 1.421 30 10 HDEE CC1(C)CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1724031409 KXYMCXIGODSAEP-VLGSPTGOSA-N 400.483 1.687 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2Cc2ccc(C(N)=O)cc2)n1 1725927099 FIKCKQCIKGRYNM-CQSZACIVSA-N 406.494 1.883 30 10 HDEE C=CCC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cnn(C)c1 1739922218 USNOVDXJQDRKRB-PHUPPTAPSA-N 412.534 1.856 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1740533686 TVQVPHQYGLXEIC-ZOBUZTSGSA-N 416.551 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1740546259 WPNXIZUOGDOFDB-HNNXBMFYSA-N 412.519 1.783 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1740567871 WZCSHNVFPDSELO-MSOLQXFVSA-N 422.599 1.756 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@@]1(N2CCOCC2)CCSC1 1740599439 APXHSFILNKHLBK-XLIONFOSSA-N 423.583 1.279 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)Nc1ccc(F)cc1 1740641611 LORLAYGLQBEFDD-UHFFFAOYSA-N 419.464 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740656490 KGFACUPGISCCAJ-DLBZAZTESA-N 419.551 1.120 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](F)COC)CC1 1740705490 IETNYQFRBWJTBZ-SJORKVTESA-N 407.490 1.470 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1740758514 YKZNCZIQQGJFPW-BQFCYCMXSA-N 417.510 1.600 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740794634 FJTIKCZWQWLUOZ-QRVBRYPASA-N 405.543 1.532 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740946392 MSAJNKUJWYPSAR-SFHVURJKSA-N 402.543 1.744 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)C1 1740981765 XBPHLQIEYDTZCX-HUUCEWRRSA-N 404.515 1.173 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCCC1 1742835084 BYZTZEWKHXPFMB-SJORKVTESA-N 409.542 1.695 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1742996742 AMBDPRYTBKSWDX-QZWWFDLISA-N 424.571 1.786 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746291114 UUHVIFRHIFFAOU-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN(CC)S(C)(=O)=O 1748682026 PDKAZDXSBVIUIA-INIZCTEOSA-N 404.540 1.393 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1748770542 BBRLQQYTZLVBOU-IBGZPJMESA-N 410.540 1.213 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N(C)CC 1748824868 LDBAHADAUGPDFM-UHFFFAOYSA-N 406.490 1.698 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCSC1 1748837814 NQGZJDLLQARGNY-NRFANRHFSA-N 410.499 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@](=O)CC 1748840969 OAFYTYJVOFLJNH-GDLZYMKVSA-N 406.515 1.972 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(C)COCCO1 1748956404 QUTVMNYSNUUJHN-OAQYLSRUSA-N 400.479 1.845 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)cc2F)CC1 1748986629 DUTLFVNIBCDXQA-UHFFFAOYSA-N 407.453 1.686 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)CC1 1748991127 QTVHJZKTEBNOMS-ZWKOTPCHSA-N 400.527 1.334 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1749703868 QLDOXNGRWXFPTM-IERDGZPVSA-N 401.486 1.932 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1749712130 FEPFTOJLEIEWRF-KZNAEPCWSA-N 423.583 1.826 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCC(C)(C#N)CC2)CC1 1749889143 HLTBYADNZFSPJC-GOSISDBHSA-N 415.542 1.424 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1750197783 QMWKORFPPOMMHZ-JKSUJKDBSA-N 405.480 1.656 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)C1 1750377311 ADHAALOWLMYFHQ-OAHLLOKOSA-N 404.368 1.883 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2nnc(C)s2)CC1 1760259640 OHALSWRCVUQRFY-INIZCTEOSA-N 401.540 1.330 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1760357087 DHCHRKSJGALALP-GOSISDBHSA-N 423.583 1.305 30 10 HDEE C=CC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1)c1ccccc1 1760417246 ZQNGIOFCWLYOQV-SFHVURJKSA-N 408.506 1.810 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2)C1CC1 1760469056 SGTWDMTZIMZUBK-UHFFFAOYSA-N 408.506 1.905 30 10 HDEE CN(C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1766837271 AKTYEQDOSYPMLX-KRWDZBQOSA-N 412.498 1.198 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1767504041 VWVULZCEWUDARS-KXBFYZLASA-N 411.422 1.060 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1 1767783803 HVCFDXDHBRZLNR-UHFFFAOYSA-N 411.510 1.397 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1771531823 FEQMPGNQTGTOFO-CABCVRRESA-N 402.405 1.553 30 10 HDEE COCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(F)cc1 1852503006 VOQXDEWBSUELHW-UHFFFAOYSA-N 422.424 1.177 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCN(c3nnc(Br)s3)CC2)cc1 1852650754 QDZXXVNFINPELD-UHFFFAOYSA-N 407.297 1.933 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2nn(C)c3c2CCC3)C1=O 1854081776 CALWYOMLZPLUCG-QZTJIDSGSA-N 413.522 1.149 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCN([C@H](C)CCC#N)C2(CCCC2)C1=O 1854450982 UHHBSQKTTXVNSA-OAHLLOKOSA-N 400.479 1.683 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635747 LPSNOFCTHZEJES-GDBMZVCRSA-N 405.476 1.265 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)c3ccc(-n4cccn4)nn3)C1=O)CC2 1855176367 KCYDTWVAEVNTTF-DOTOQJQBSA-N 405.462 1.419 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)C1 1855385571 VQUQLZCPEPCHHW-UHFFFAOYSA-N 405.520 1.722 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1856157209 YJSBSHCFGZYPAG-MSOLQXFVSA-N 400.523 1.778 30 10 HDEE CCCC[C@@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235281 FEVYNRQSIYWXRW-GDBMZVCRSA-N 402.474 1.372 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1(C)C 1856396019 WVGNVDVFEACOHE-KRWDZBQOSA-N 419.547 1.723 30 10 HDEE Cc1csc(CN2CCN([C@H]3CCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)n1 1856624194 MSOGRPICFVONDQ-SFHVURJKSA-N 409.515 1.882 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCCc3ccccc3)C(=O)O2)CC1 1856653628 ZAOJLBVLIVOCSU-SFHVURJKSA-N 419.503 1.922 30 10 HDEE CCC[C@H](F)C(=O)N1CCN([C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)CC1=O 1856664224 DQDXZFFMJAGBOF-QUCCMNQESA-N 416.497 1.820 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2snnc2CCC)C1)[C@H]1CCN(C)C1=O 1857077027 UPELYHUDCMFRKC-ZBFHGGJFSA-N 419.551 1.588 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC([C@@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)cc1 1857133046 IXAJCCPEUHHQIM-VQTJNVASSA-N 409.486 1.865 30 10 HDEE Cc1cccc(CC(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857151237 SSUXNFNXNXNRIF-IBGZPJMESA-N 404.474 1.147 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857228256 OBTTYPKBMXSTCH-WMLDXEAASA-N 400.479 1.261 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc3c(c2)OCO3)C1)[C@H]1CCN(C)C1=O 1857263872 KASMKMJFDMZAIQ-IRXDYDNUSA-N 413.474 1.052 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCC(=O)c2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857264411 MPRRFAWOJWDXRN-IEBWSBKVSA-N 411.502 1.743 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857316812 QUGRSZDPRVQECG-NVXWUHKLSA-N 419.909 1.813 30 10 HDEE C[C@H]1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CCS1(=O)=O 1857343692 UXIOANHQDJDFRY-DOTOQJQBSA-N 403.504 1.446 30 10 HDEE COCCn1cc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)cn1 1857422524 ZJTGGMGSPPNXCX-UHFFFAOYSA-N 413.453 1.803 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ncccn1 1857485408 JKQOLMGRWHDAEO-UHFFFAOYSA-N 400.460 1.793 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H](O)CNC(=O)c2cccc(C#N)c2)ccc1Cl 1858030512 XPVDHRCEGKLVKK-INIZCTEOSA-N 421.906 1.932 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@H](C)C(=O)O)c(C(=O)OCC)c1C 1860761472 VNAFBYFVGTXHDX-SECBINFHSA-N 412.420 1.104 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2cc(=O)c3cc(OC(F)(F)F)ccc3[nH]2)c1C#N 1866547758 HFEPFGXPTKSOQP-UHFFFAOYSA-N 402.292 1.762 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1 1867095378 VYQCIOIAZWLRFU-GOSISDBHSA-N 411.368 1.956 30 10 HDEE C=CCn1cc(OCCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CC(O)C1 1870375892 QMMPFFMRXDJLCE-UHFFFAOYSA-N 423.469 1.276 30 10 HDEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870560255 NZFSGRFTIGYBIA-UHFFFAOYSA-N 413.478 1.100 30 10 HDEE Cc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874338844 ZNIXQIGGUZPNJF-PZEXIZOFSA-N 400.508 1.770 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCN(C)C)ncnc21 1875229312 VCOUXQBMCZKTSY-UHFFFAOYSA-N 413.526 1.318 30 10 HDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(N(C)c3cc(C#N)ccn3)CC1)CS2 1890111287 RYMGDUCIYQNVHT-KRWDZBQOSA-N 424.530 1.983 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccc(N3CCNC3=O)c2)CC1 1891138026 NJBDEKDMPOGZTD-UHFFFAOYSA-N 406.446 1.809 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1891853079 ZUZBBYLNHKNZEE-OAHLLOKOSA-N 420.425 1.572 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985179294 OHBXNQIQWASCKG-ROUUACIJSA-N 416.522 1.887 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)N1CCC(C#N)CC1 2174787773 XWABRPFXKZCZPD-GOEBONIOSA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 2180035279 CLYNZCHZJMMMAS-NWDGAFQWSA-N 412.430 1.339 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2 2239525154 JCAXRAWRCFYQIM-KGLIPLIRSA-N 401.529 1.658 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2243430289 OYVQODLCGPTPPQ-UHFFFAOYSA-N 410.320 1.957 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243676289 HSLSGMWYAUKZNK-CYBMUJFWSA-N 412.292 1.747 30 10 HDEE CCN(CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247815708 FIFICCWUEPOPQD-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE C[C@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2247826811 ABYWMTDAMGPDGH-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NCc2cnn(Cc3ccccc3)c2)OC1(C)C 2247829238 SEQADHFEALOXCX-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)nc2)OC1(C)C 2255644572 JWSCVMMDGBMBQO-UHFFFAOYSA-N 420.322 1.734 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267471887 LFCZYYGWSGYZJP-DEOSSOPVSA-N 407.388 1.187 30 10 HDEE CN(Cc1cnns1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267718525 UWIMAPYASPMSKW-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC1(C)OB(c2cscc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2281807849 SYJKWHCRVNVQOL-UHFFFAOYSA-N 413.248 1.712 30 10 HDEE CN(C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H]1O 2281961824 QZYDIXNGJRHQHF-RYUDHWBXSA-N 400.737 1.448 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC 2282309824 LFATZXTWIVGEAD-JTQLQIEISA-N 423.749 1.931 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCNC[C@H]1F 2282314683 CXWPRYAJRAPJPU-VXGBXAGGSA-N 404.338 1.334 30 10 HDEE CCCN([C@@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282334336 ZYKQDYCJWKCXJT-CQSZACIVSA-N 400.375 1.810 30 10 HDEE C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282497593 RVPBCNNXDHMBGG-ABAIWWIYSA-N 401.721 1.952 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282498556 GITHUYLMKNLKLQ-CANCMXDXSA-N 401.359 1.172 30 10 HDEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CS(=O)(=O)C1(C)C 2282521897 CNCRNLBCAHAHCY-NSHDSACASA-N 400.331 1.090 30 10 HDEE CC(C)(CO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828264 LKNAGUJSDFPDAO-UHFFFAOYSA-N 403.737 1.936 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2NCC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282837516 VFXFSAZEISGTKT-LBPRGKRZSA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNC[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282845709 XZLABLIOSUIHGC-RYUDHWBXSA-N 404.338 1.334 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@H]2CCO)OC1(C)C 2282849914 IOVRPZSZDBQEIK-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE C[C@H]1C[C@@H](CN)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855203 AUHBLHHQFAXTAM-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)[C@H](O)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857908 OMZNPQMQDADZFK-CHWSQXEVSA-N 401.359 1.875 30 10 HDEE CN(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866038 CESOKKCIRABQJC-UONOGXRCSA-N 400.375 1.808 30 10 HDEE CC[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282870006 LFWHBCQYCNFIPJ-CQSZACIVSA-N 402.391 1.807 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CC2COC2)c1B1OC(C)(C)C(C)(C)O1 2285339462 RAQAXYKNYLDLFD-UHFFFAOYSA-N 401.359 1.931 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1ncc(Br)cc1C#N 2312322039 GSQNMSUWIYULFH-UPJWGTAASA-N 413.272 1.469 30 10 HDEE C=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COCC)=C31)O2 2333100236 UBMOPFJLLXVNIM-PSOYPTMXSA-N 408.447 1.661 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1 2342050906 IECUDOGDUPNCDS-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@H](NC(=O)OC(C)(C)C)C(C)C 2365205831 VXHJQRMCFNYWQX-CLCXKQKWSA-N 404.573 1.701 30 10 HDEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367856528 RVCQXBAJSNCVEG-HOCLYGCPSA-N 401.525 1.684 30 10 HDEE COCCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(OC(F)F)c(OC)c2)c1=O 9540196 GAANHYIMGTZMCV-CXUHLZMHSA-N 421.425 1.583 30 10 HDEE C#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 18225388 NNGQVOSZWRZVMS-UHFFFAOYSA-N 412.467 1.340 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(Br)c2)CC1 27560127 DOPPMWIAVMCGID-CQSZACIVSA-N 409.328 1.696 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 27902203 ADMKSBJKZWFZMU-IAGOWNOFSA-N 418.538 1.189 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 29153079 HKUSPJBCGWJRHT-UHFFFAOYSA-N 410.902 1.216 30 10 HDEE CCOC(=O)[C@H]1CCCN(c2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])C1 40618066 OPEMIOLXWRKVBD-AWEZNQCLSA-N 401.427 1.798 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCCCN2CCOCC2)CC1 46750123 XBALIEQLORILCI-UHFFFAOYSA-N 402.499 1.368 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)o1 59878677 YBGPTWFKSZIXBK-CNHKJKLMSA-N 402.440 1.310 30 10 HDEE O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 101027134 HBBGEQSUIIBRLK-SFRQZOAVSA-N 422.441 1.818 30 10 HDEE O=C1C(=O)N(CCO)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102533097 YDNMMRXVQNNNHG-SCDSTIRESA-N 413.342 1.917 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1 238868571 MIQHOJLDALKZMQ-LLVKDONJSA-N 406.395 1.418 30 10 HDEE N#Cc1cnc(-n2cnc(I)c2I)cn1 307175919 SZYUNOAVOOVHCL-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE CC(C)(C)OC(=O)N(c1nccc(B2OC(C)(C)C(C)(C)O2)c1C#N)C1CNC1 382054021 NTPSDVOXYIUDBM-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 410071019 PYCJUBVDPCZABL-HIFRSBDPSA-N 419.341 1.805 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccn(C)n1 433353814 LZXDMMAADJPAFH-CYBMUJFWSA-N 413.253 1.247 30 10 HDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443319932 JNTHBIROHJWUEA-ZDUSSCGKSA-N 412.368 1.913 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2ccccn2)nc1O 465126546 FLSMCGIQSHEAAV-CQSZACIVSA-N 401.430 1.862 30 10 HDEE C=C(C)C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 466431839 SHIYQQOSLNYSOA-CQSZACIVSA-N 407.492 1.453 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cn(-c2ccccc2)nn1 472854393 SDZLEWWUUCSUNB-HZPDHXFCSA-N 417.477 1.910 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CC2)c1C#N 472995093 AWTDCYGWGWQYSA-GOSISDBHSA-N 424.530 1.464 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 479927812 ICSYRJYBVNEJQU-HUUCEWRRSA-N 424.486 1.683 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(F)c1 480695124 PBOHLMZNLLCLQD-LJQANCHMSA-N 403.479 1.884 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(N2CCOCC2)n1 483571078 UTFKWNJEZHYHSY-INIZCTEOSA-N 422.493 1.000 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488757136 GRGSQTJOCUSCCD-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 495741859 LFZXIIXCNOPILL-LJQANCHMSA-N 415.538 1.976 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)C2)s1 503623365 BTRKHFUBWISBEH-HNNXBMFYSA-N 424.548 1.042 30 10 HDEE COCc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 505120419 OMAKFXWYAUPTRQ-UHFFFAOYSA-N 406.489 1.308 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(C#N)cs4)CC3)C2=O)n(C)n1 506871047 IYUCVVMPLHUFHX-INIZCTEOSA-N 412.519 1.615 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCCOc3ccc(C#N)cc3)no2)cn1 508330298 HEWOZJPIEPQZDX-QGZVFWFLSA-N 423.433 1.504 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCO[C@@H](C(=O)C2CC2)C1 514210749 IYUUYEVCCILSRI-GOSISDBHSA-N 402.495 1.632 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 518045470 PTFFBBCCZRVBHU-WMLDXEAASA-N 409.442 1.766 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2csc(N3CCCC3)n2)cc1 522312072 CDJHFGDVPBIOIQ-UHFFFAOYSA-N 418.544 1.889 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(Cc2ccccc2)c1=O 533120390 WJZZRTCNBBMVMX-UHFFFAOYSA-N 406.511 1.903 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC1)C2 533698806 FOEIRLFDTQDSKI-GJZGRUSLSA-N 419.507 1.398 30 10 HDEE N#C[C@H]1CSCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 538228372 UBZBJPCICQERLA-NSHDSACASA-N 408.277 1.903 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 549331204 DOHUVQIZJHGMAA-HUUCEWRRSA-N 413.544 1.191 30 10 HDEE Cc1cc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)ccc1C#N 549520937 ZAFHRVGZBLBACJ-IBGZPJMESA-N 406.534 1.803 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 555288607 XUGNDANWFMATFG-CYBMUJFWSA-N 407.412 1.965 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 561691857 VTCDPZNDERLKPE-MRXNPFEDSA-N 424.523 1.113 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 568785293 BKVCUMDNZMWTFM-KRWDZBQOSA-N 401.442 1.934 30 10 HDEE COC(=O)[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C 609878942 YBFUGRFRICNTFL-KRWDZBQOSA-N 421.519 1.663 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 610425815 SEVJYZDALOHQIU-UHFFFAOYSA-N 416.507 1.367 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 729332623 RNRJGSUAHMQCFX-KRWDZBQOSA-N 424.544 1.170 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(Cl)c2cccnc12 737304903 DEDIEFTZWOBBAY-MSUUIHNZSA-N 413.821 1.469 30 10 HDEE C#CCN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 744398290 DVLDCYDXVGIWTD-MRXNPFEDSA-N 421.519 1.934 30 10 HDEE CCN1C(=O)C(=NNc2ccccc2S(=O)(=O)N2CCOCC2)c2ccccc21 745200567 JAYLJWKNCMWICC-UHFFFAOYSA-N 414.487 1.890 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(F)cc1F 747497645 HAIXTTPOXYEWKC-UHFFFAOYSA-N 403.341 1.887 30 10 HDEE C[C@H](C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752612295 ABOYLCAJBUEZAT-UGSOOPFHSA-N 415.471 1.682 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 754387320 DHHVCDGXGGJFHJ-INIZCTEOSA-N 421.519 1.994 30 10 HDEE CCOC(=O)c1cnn(CN2CCN(c3nccnc3C#N)C[C@H]2C)c1C(F)F 756874434 CLMBWUIMSJKETD-GFCCVEGCSA-N 405.409 1.827 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760621749 WHOLEIFILDVCCM-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCCN2CCOC2=O)c1C 761946677 DOVWTSNDBBHVEH-UHFFFAOYSA-N 410.434 1.258 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@@H](c3cccc(C#N)c3)C1)C2=O 762296793 SFRVDISZGANNLP-GXPWMBGSSA-N 410.474 1.959 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 764549918 KEJPHXQTSUXINC-IRXDYDNUSA-N 423.558 1.261 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 766450231 UAYTWBXKQKXEJI-JSGCOSHPSA-N 412.870 1.481 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)CCCCOc1cccc(C#N)c1 768008256 LGQKCPHXGAGLQE-UHFFFAOYSA-N 423.472 1.856 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c1 769864829 KDSGZPQAPVDNTH-UHFFFAOYSA-N 418.446 1.843 30 10 HDEE C#CCN(C(=O)NCCCC(=O)N1Cc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 774213053 MIRMDYZCFPKYTL-GOSISDBHSA-N 403.504 1.141 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 774248418 RUIOUOWJLFKCQG-GDBMZVCRSA-N 402.476 1.553 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)CC(C)(C)S(C)(=O)=O 776011008 RDZZNOPUAWKKEU-HNNXBMFYSA-N 412.581 1.212 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cocn2)C1=O 790759141 QHYDUXKMVOUWFY-AWEZNQCLSA-N 407.521 1.936 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 791028875 MCZDPNPSWXVCEN-IAGOWNOFSA-N 409.471 1.306 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(=O)NCCOC)c1 796096871 OQTNIOQTLNGHQG-IBGZPJMESA-N 400.500 1.976 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)cc1C#N 797451720 UKXLGKZBXAXIKP-UHFFFAOYSA-N 403.416 1.385 30 10 HDEE CC(C)n1nc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C)c2ccccc2c1=O 800734010 HDPJNCKYIGMCBZ-INIZCTEOSA-N 418.505 1.949 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 804456576 ZYOOFJAAKAEQLD-MRXNPFEDSA-N 401.444 1.624 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(=O)n(C)c1=O 810821412 JOPCVNTYJRFARE-BAQGIRSFSA-N 403.398 1.795 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc([N+](=O)[O-])cc1Br 814907066 SUCQUZDOWPXBSU-UHFFFAOYSA-N 417.245 1.654 30 10 HDEE O=C1COc2cc(C(=O)NCc3ccc(C(=O)NO)cc3)c(Br)cc2N1 819552197 RAWSLYYHYBWOAM-UHFFFAOYSA-N 420.219 1.829 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H](C)Oc2ccccc2C#N)C1 914594990 PPBTXJUXMZYKEG-FUHWJXTLSA-N 403.479 1.342 30 10 HDEE Cc1nccn1-c1ncccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 919779935 LOSSCBIKDQUQJF-UHFFFAOYSA-N 402.462 1.874 30 10 HDEE COc1ccc([C@]2(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H](O)C2)cc1 1153867182 ZFRDUTGYWBIGOZ-WSTXMBPASA-N 415.490 1.963 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)CC1 1155873238 MHTNWLDWOBJMII-SFHVURJKSA-N 403.548 1.761 30 10 HDEE C=CCC[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1157761139 RDNAFRFKOAZYLY-FPCVCCKLSA-N 416.540 1.100 30 10 HDEE CN(C[C@@H](O)CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1175399332 KFQABVPUGKTRIS-ROUUACIJSA-N 402.495 1.823 30 10 HDEE CC1(C)C(=O)N(C[C@](C)(O)C(=O)N2CCC3(CC2)CC(=O)C=CO3)c2ccccc21 1179420962 AEZUXSKYDUDQHX-QFIPXVFZSA-N 412.486 1.926 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)C1 1213680764 XVCDZJJICGJYSC-CQSZACIVSA-N 417.528 1.353 30 10 HDEE CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1226623597 PMSXHHXRUBQUKD-RGFKIIKPSA-N 411.911 1.996 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C)[C@@H]1CCS(=O)(=O)C1 1264995585 LNYRIEUHIUOJET-CQSZACIVSA-N 400.522 1.061 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1270975426 XQRNICBFEGVYLC-HLXOMJDXSA-N 401.551 1.829 30 10 HDEE CCN(CCC#N)C(=O)CNCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCCC1 1276212719 BPACIRQPZVLJKY-GJNTUIEKSA-N 402.539 1.581 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1277135385 DFDNLHUQWCZKNJ-NVXWUHKLSA-N 416.499 1.886 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1286361242 MMGRPSUADDSFDN-BBRMVZONSA-N 409.487 1.485 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1286367201 KIHIEDMKULCYLO-CQSZACIVSA-N 404.492 1.466 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCOCC1 1286427588 CFYDUDRJMRZUNK-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286610838 BYMQFPDLGSKXPA-LJQANCHMSA-N 416.570 1.566 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1286764568 SVGYKLOVAASAIQ-IIBYNOLFSA-N 412.494 1.536 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C1=O 1289919151 LCDIJQDCIRMDQY-XCLFUZPHSA-N 420.466 1.012 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1300464620 GZMCCZUSKHMQHL-OAHLLOKOSA-N 405.499 1.571 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1300485089 UDZREWHJZMMWQS-SFHVURJKSA-N 402.520 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CC1 1300559276 NFONIOOELOXNRK-KCWXNJEJSA-N 418.563 1.693 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1300761303 AWGUIFFQUUEFRF-MRXNPFEDSA-N 407.565 1.677 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1301270584 JFBLLPZNEILPCJ-WIYYLYMNSA-N 407.559 1.909 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)Cc1cccc(F)c1 1301304839 KLBAMZFMJXYUBT-UHFFFAOYSA-N 414.485 1.521 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1)C1CC1 1301323955 XXYTUMCFCIFBQM-HOTGVXAUSA-N 424.496 1.740 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1301503239 WVLQTMXGBWACRU-UHFFFAOYSA-N 408.510 1.113 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1303046091 IUBRLNBRMJSFFJ-HUUCEWRRSA-N 411.480 1.439 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1303557504 SSVLPFGJBWEZNB-QGZVFWFLSA-N 407.511 1.440 30 10 HDEE Cc1ccc(-c2nnc(N(C)Cc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)o1 1304299244 DAUILMVEVQUOIN-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1304852440 AVPYCHKHFJHXAN-QGZVFWFLSA-N 415.523 1.005 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(-c4cccc(Cl)c4)nc3O)C2)c(=O)nc1O 1305593036 VIPGGKNBZYDMTO-UHFFFAOYSA-N 423.816 1.939 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NC[C@H]1CCCN(CC#N)C1 1306651986 OSIBSJKZJXPZDH-SJLPKXTDSA-N 401.511 1.869 30 10 HDEE C#C[C@@H](NC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1)C1CCOCC1 1306878936 JMVIISUTZAUGEH-GOSISDBHSA-N 405.458 1.998 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 1309664732 PLXLVNLHTBGUMS-UHFFFAOYSA-N 404.510 1.450 30 10 HDEE CCCNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1313483099 DZEGKUKDELZMBM-KRWDZBQOSA-N 412.494 1.523 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1314440876 CKQSTYLXGOSABZ-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE C=C(C)CCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1351009170 FBVDSSUJXNMFBE-UHFFFAOYSA-N 423.535 1.839 30 10 HDEE C#CCN(C(=O)c1nc(C(C)C)ncc1Br)[C@@H]1CCS(=O)(=O)C1 1352904775 IHABWIYEIOBWNV-LLVKDONJSA-N 400.298 1.625 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1358905153 TYVGBHKYHRKANO-DLBZAZTESA-N 411.572 1.945 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN(C)S(=O)(=O)CC 1358950899 BGYYSTYOGMNFLE-UHFFFAOYSA-N 410.569 1.375 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1358956520 HDGYVVAQDDHEJX-HNNXBMFYSA-N 408.911 1.946 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358963245 FCYHBEXURLRPAL-HOTGVXAUSA-N 421.567 1.018 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1358975905 IVCRUHSXLCQRLC-UHFFFAOYSA-N 413.283 1.411 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359105676 SOCNIFAYZGLZTB-RYRKJORJSA-N 404.515 1.352 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1359236422 KYACORTVMSXZSP-ZZEZOPTASA-N 422.445 1.822 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC)C1 1359323251 KRWIWKFSJVJNIM-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C1=O 1437343290 ANGMEQFPPPCMRP-UHFFFAOYSA-N 419.397 1.969 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCC[C@@H]3O)cc1 1441667818 QVTKOAKDGTVUIV-CZEALIGGSA-N 417.491 1.775 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1443909745 BMOCRBIXJOZEMK-PPXVZNSRSA-N 413.540 1.713 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1 1449791697 ZXUFJLNDHRPVRL-UHFFFAOYSA-N 402.472 1.241 30 10 HDEE CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2cccnc21 1455102183 ZAMISDSAHGGFCT-UHFFFAOYSA-N 413.503 1.379 30 10 HDEE O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458000473 ISKZQOVHNIXLLR-IYBDPMFKSA-N 413.430 1.066 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)ccc1F 1459208182 BIGRKIVERRKCNC-UHFFFAOYSA-N 401.394 1.554 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C 1461392666 XKEJVNRHFZLYAD-UHFFFAOYSA-N 411.524 1.473 30 10 HDEE Cc1nn(C)c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1C#N 1461444076 LXJQLDBICULDTM-UHFFFAOYSA-N 422.898 1.688 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCS2(=O)=O)cc1 1464265995 FLRIJDSUFRHCKN-ZBQKJFDRSA-N 413.521 1.405 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC 1464534705 DHWJKVQCLMISND-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE C=C(Br)CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C 1464590106 YBGQGQSPXVFFMU-APHKKCJPSA-N 409.202 1.997 30 10 HDEE C#CCN1CCCN(C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)CC1 1465278611 QQDRSFHYTYWLLR-UHFFFAOYSA-N 406.442 1.774 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)N(C)C)CCCCC2)ccc1F 1468190970 RDQLBHHGKMOMNM-UHFFFAOYSA-N 411.499 1.811 30 10 HDEE COCCNC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1468810347 NOPJQFIAJWQAFW-CHWWFWEZSA-N 420.510 1.185 30 10 HDEE C=C[C@H](C)ONC(=O)NC[C@@H](O)COc1ccc(I)cc1 1470680517 WJQIEOSKXYEMLR-CMPLNLGQSA-N 406.220 1.836 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)ccc1F 1470724780 HVYDZTUUETVEQC-GOSISDBHSA-N 419.478 1.782 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1475528805 WIMYYKDDMTWRQX-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478642348 QQUKSXVORQRKKT-FQEVSTJZSA-N 416.566 1.984 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1479404931 NYNYHDIGTCZDEX-ARFHVFGLSA-N 413.540 1.512 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1502337177 CNAQKIVTHLIBFI-ZWKOTPCHSA-N 418.590 1.428 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(C)c1C 1504409383 BNSACTZPPLZSKE-GOSISDBHSA-N 407.478 1.697 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(CO)CC1 1505350570 GJECASDDXKFUPE-HTXNQAPBSA-N 411.466 1.008 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2(F)CCOCC2)CC1 1506350620 RLPAXINGAKAMPP-LFDJNIOPSA-N 404.482 1.381 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nncn1C 1507661711 FIRAOBSLNWXEQK-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507672708 DWZATTRSLPABBP-AVRDEDQJSA-N 411.506 1.202 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1507736269 NJIPPZKZMPHIGO-IBGZPJMESA-N 410.522 1.982 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNS(=O)(=O)c1ccccc1 1507981164 FPMOSRKNUAZWJD-UHFFFAOYSA-N 418.523 1.001 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1508405200 CWJCKCLGOYYJBF-CQSZACIVSA-N 413.457 1.888 30 10 HDEE CCCN(CC)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1514635534 HVSWQQSLYREVQA-BMRADRMJSA-N 403.487 1.179 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1517505533 FUIMPZKJAGDKBQ-QXATTWAWSA-N 424.505 1.319 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(=O)NC1CCCCC1 1519166307 UTILAYGHZIIPDL-KRWDZBQOSA-N 418.542 1.987 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)C2CC2)C1 1521069012 ADINZWOBDMPMBS-FQEVSTJZSA-N 416.432 1.964 30 10 HDEE CC(C)Oc1cncc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1526954046 PSUJDSSEHMPXTM-OAHLLOKOSA-N 408.418 1.979 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1537469267 NBCUHHVLGLBVOI-MSOLQXFVSA-N 420.531 1.976 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C 1538379535 GTUWGGYKTAAEFR-OAHLLOKOSA-N 423.535 1.783 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1538993564 NCJFBOASYRDDEX-AWEZNQCLSA-N 416.503 1.751 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1539013741 JRRVYKKNBCIEBB-XQQFMLRXSA-N 408.446 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCCS(C)(=O)=O 1539031138 FBLSZWTYBUUEJV-OAHLLOKOSA-N 406.508 1.758 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539127422 KHTZHHIRQVXWER-UHFFFAOYSA-N 406.469 1.933 30 10 HDEE C#CCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539141663 XEFORXZJZZUWPV-FCHUYYIVSA-N 417.554 1.645 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCSCC1 1539172052 SKNSXEIEJNXNCT-UHFFFAOYSA-N 423.546 1.310 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1539260606 RERXRQWCZCABTA-SFHVURJKSA-N 414.473 1.239 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(C)Cc2ccccc2)CC1 1539445991 MZDCZBRMRXEJOW-UHFFFAOYSA-N 416.533 1.622 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1539526256 GOZGLIZDRMEYQQ-UHFFFAOYSA-N 411.535 1.774 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539594210 HPMHYXITDJEHEE-UHFFFAOYSA-N 423.359 1.809 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540870628 RLLSDQVOKBOOTQ-KSZLIROESA-N 420.558 1.020 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540872539 RZJIIIUJMXJGIK-NRFANRHFSA-N 412.469 1.169 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1541096643 WXVLECNFYKYABZ-CYBMUJFWSA-N 403.512 1.392 30 10 HDEE Cc1nnc(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1543351217 GLMPAKHRCGKHHF-INIZCTEOSA-N 402.455 1.829 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1 1552390944 AUOSEKBZZPIXHW-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1 1558072780 CSWXBCUFABNOIW-UHFFFAOYSA-N 420.466 1.025 30 10 HDEE C=CCCC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OC 1558381696 LNICLXPUIZFPSA-OAHLLOKOSA-N 407.492 1.595 30 10 HDEE COC(=O)[C@@H]1CN(C[C@H](O)CC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1560175576 VUVUMNFGSCRWRH-CVEARBPZSA-N 407.511 1.773 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2COc3cccc(Br)c3C2)CC1 1565259204 SJXOHRTXWLCVAG-AWEZNQCLSA-N 420.307 1.924 30 10 HDEE C[C@]1(C2CCN(C(=O)c3cccc(C#N)c3Br)CC2)NC(=O)NC1=O 1566044624 SLXYMWUABBEOQY-QGZVFWFLSA-N 405.252 1.771 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3cccnc3OCCO)c(C#N)c2N)cc1 1566186587 KUGFNRGGNNTOPK-UHFFFAOYSA-N 420.473 1.763 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCOCC1 1587662585 PNWATZZIWRUMRC-KRWDZBQOSA-N 411.506 1.640 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](C(CC)CC)N1CCOCC1 1588120137 HPCYVPRKJHEKBX-OAQYLSRUSA-N 423.565 1.888 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1588223772 GENPGYNLHDUEGF-INIZCTEOSA-N 414.510 1.607 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1588314481 GCARRSZIMGXGIR-UHFFFAOYSA-N 416.489 1.857 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1589192380 RNCGZJFQGULNOA-VGOFRKELSA-N 410.522 1.771 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1589242642 DKKIOLBBXBSIIM-VGOFRKELSA-N 404.474 1.999 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1594807493 QGBSCOSGOZGMQN-IAGOWNOFSA-N 415.498 1.133 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1594962361 KIXRJJUVSASMOE-KUHUBIRLSA-N 408.499 1.849 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C(C)C)C1 1595467754 YSSDDIXVPYEWCT-OAHLLOKOSA-N 406.556 1.394 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(CC(F)(F)F)CC1 1595561787 BWOGWQZLFZMOJA-UHFFFAOYSA-N 400.449 1.607 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2CSC)nnc1[C@]1(OCC)CCOC1 1595603202 ZLYUHAAQQPPWQZ-BEFAXECRSA-N 409.556 1.564 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 1596080092 VUNKZSKNXKWPMJ-OAHLLOKOSA-N 405.501 1.853 30 10 HDEE C=CCc1cc(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc(OC)c1OC 1597995786 SRYFLHRRDNUZMA-HNNXBMFYSA-N 414.462 1.240 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC#C[C@@H]1CCCCO1 1606801163 DZOKXOUHIBTVIW-ZDUSSCGKSA-N 420.409 1.552 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1608060133 NBOAHESVYAGUPC-ZWKOTPCHSA-N 418.542 1.136 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1615741240 FWJZUKHWVMVDRW-NRFANRHFSA-N 419.493 1.439 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cnccc1C#N)C2 1616391021 HVFZRRLTKJKVQE-LRAJWGHMSA-N 414.462 1.872 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1620158087 SGTMXCKGXKRVTL-BBRMVZONSA-N 405.480 1.308 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1620674528 AKOLPAGSCUIUCM-DOTOQJQBSA-N 415.437 1.616 30 10 HDEE C=CCOC[C@H](NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)C(=O)OC 1626207602 AZPQYHXLDYDEMO-ZDUSSCGKSA-N 410.471 1.826 30 10 HDEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1NC(=O)c1ccco1 1626655987 PNQDBQPPJQGBEW-YWZLYKJASA-N 413.455 1.851 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1627026186 XCZBMPAEAHVHHO-UHFFFAOYSA-N 404.448 1.640 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1627416546 ILTLXYQBISSPIA-UHFFFAOYSA-N 407.474 1.079 30 10 HDEE N#C[C@@H](CCc1ccccc1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1628304792 AHWWONILHPHGOR-GOSISDBHSA-N 419.547 1.848 30 10 HDEE N#CCN1CCC(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1629083220 XVPCQURFMCHMDK-MRXNPFEDSA-N 406.280 1.882 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1630546303 GMRQHTOZUVNOJL-MAUKXSAKSA-N 417.506 1.929 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1cccn1C 1632618731 APXPXRUASORPPK-RDTXWAMCSA-N 402.476 1.164 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)CC2)cn1 1633929914 OZQXWYMAYXUYFM-HSZRJFAPSA-N 405.502 1.629 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 1634918729 MVZUTDQFAUJTKS-AWEZNQCLSA-N 413.459 1.402 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CC[C@](O)(CC#N)C3)c2)C1=O 1635181459 FSHGGMZMEHNGTJ-LEWJYISDSA-N 411.462 1.472 30 10 HDEE CN1CCn2c(CCNC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)nnc2C1=O 1637182736 QSZACBJEDLLIDM-UHFFFAOYSA-N 415.457 1.951 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1637478987 BPRCHWHOPMBQEZ-MJBXVCDLSA-N 406.932 1.915 30 10 HDEE C=CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1638410941 HDRAYTSMMSWAGI-ILXRZTDVSA-N 418.581 1.692 30 10 HDEE CC(=O)Nc1cccc2c1CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 1638988119 IRVNVZHQUGERJC-UHFFFAOYSA-N 412.471 1.380 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1640066372 AKFIZRWRJMPKEL-WTWKGCIASA-N 404.467 1.560 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(OC)OC)CC1 1640225679 VJNMDOQSRNGUHR-ZDUSSCGKSA-N 419.906 1.312 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1C 1640916646 SWYIKZDUAORLAF-HXUWFJFHSA-N 415.515 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1643402876 BPJPVBWPDWCYFU-CYBMUJFWSA-N 420.470 1.082 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nnc3nc[nH]n23)CC1 1644259487 IOKOYMJNRDAGHP-CQSZACIVSA-N 400.443 1.093 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1644595431 AVCFVKMNZXTROA-HNNXBMFYSA-N 423.510 1.306 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 1645040547 RJMXORZYKLRQKO-NRFANRHFSA-N 412.490 1.611 30 10 HDEE C#CC1(O)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)C1 1648358540 XQKOXKOOLXLAPK-AWEZNQCLSA-N 405.292 1.816 30 10 HDEE C=CCCC[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OC 1651221035 LPHHXSRBJNAMTB-CYBMUJFWSA-N 417.466 1.005 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1653662723 MLGNDEXYTJYVCM-SFHVURJKSA-N 413.927 1.691 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1CC(=O)N(CCC#N)c1cccc(C)c1C 1654782080 DLCZWHRJNWCYQW-GOSISDBHSA-N 400.479 1.304 30 10 HDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1655017896 KWZBRCQBBSRSQW-HJPURHCSSA-N 410.470 1.576 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(-c2ccccc2)c1C 1655292326 ICPQMEWGVFKNAG-GOTSBHOMSA-N 419.485 1.889 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)C2CS(=O)(=O)C2)n(Cc2ccc(F)cc2)c1C 1655339182 YJRWVBJEMMUWSI-UHFFFAOYSA-N 418.494 1.831 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(C[C@@H](O)COc1ccccc1C#N)CC2 1657576785 DWCCPZKVXLGUIT-QGZVFWFLSA-N 401.488 1.659 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CCCF)CC2)CC1 1659656321 MDVHPZMWHVFXRL-FQEVSTJZSA-N 405.493 1.512 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1660118666 OKIDCFVYYJKRBC-LJQANCHMSA-N 403.548 1.482 30 10 HDEE COc1cc(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)ccc1OCC(N)=O 1666471873 GSLWDFOEHUDQMA-UHFFFAOYSA-N 407.423 1.357 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCCc1ccc(C#N)cc1)C1CCCC1 1674041282 AUBUYVPQJKXNGR-SFHVURJKSA-N 407.540 1.355 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@@H]3CNC(=O)C3)c(C#N)c2N)cc1 1675807809 HMRIMOYUPOFWSR-HNNXBMFYSA-N 409.494 1.393 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1(=O)=O 1680025276 YCBDEUZSAWXWKZ-UNEWFSDZSA-N 404.492 1.319 30 10 HDEE C#C[C@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 1682345469 WGPVFERFGYVMEH-IBGZPJMESA-N 418.494 1.925 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc(OC)c1OC 1683367168 JPWQXYUAGGYCDC-CJNGLKHVSA-N 411.524 1.498 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1689873762 VWYQTRHQQJKTGD-GOSISDBHSA-N 411.510 1.629 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1690068767 ACIRFRDDZNCFBS-UHFFFAOYSA-N 406.483 1.483 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(OC)c2)CC1 1690109194 JWWWXHWDWYCOIY-UHFFFAOYSA-N 422.533 1.521 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@@H]2CO)CC1 1690134801 GJRBXETYQVJBJI-WOJBJXKFSA-N 416.570 1.122 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCOCCS(C)(=O)=O 1690209015 GZNZIIHLBVCBCS-LJQANCHMSA-N 422.576 1.984 30 10 HDEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1690346129 LNQIRJKQBXCYKI-UHFFFAOYSA-N 412.966 1.504 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)CC1 1690374820 ZISVBBXVONRDGU-LJQANCHMSA-N 402.543 1.840 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690484916 HCPBKMZDPKFZMV-RBSFLKMASA-N 418.585 1.404 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccc2C#N)CC1 1690655071 GKAYGTZDQBTZLR-ROUUACIJSA-N 409.494 1.781 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2)C1 1690668912 NFVUGHHYUIJBMO-GOSISDBHSA-N 405.462 1.615 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccc(C)cc1 1690669398 DCIKORVWZWMBBZ-KRWDZBQOSA-N 412.494 1.355 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C)CC1 1690713951 AFYDFXUNDZGUTM-MRXNPFEDSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1690725355 NITDLFAKLQGXLK-UHFFFAOYSA-N 423.583 1.670 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1691320104 BNUHNKGQFHXFON-INIZCTEOSA-N 418.523 1.206 30 10 HDEE CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1692548531 BVIXWCODHLDSSA-UHFFFAOYSA-N 401.515 1.559 30 10 HDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695004609 HILZPLPZGGIMMX-ONEGZZNKSA-N 420.521 1.960 30 10 HDEE CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1696431399 GZMNOTZBDFWAEM-UHFFFAOYSA-N 420.521 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1705579919 YNCNQIYEVAKZEC-IBGZPJMESA-N 408.554 1.025 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCC(=O)N1 1705630409 SKQWZNZOTOIMCH-GOSISDBHSA-N 411.506 1.839 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)noc1C 1705666318 BJDVCLNSVQCLGX-FZKQIMNGSA-N 406.512 1.534 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1705675076 WSFBJECLMXPODD-CXAGYDPISA-N 406.537 1.381 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1705734894 DRBYLYHBNAATSL-SFHVURJKSA-N 413.526 1.881 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705811484 YREIAZMNDVEVFB-JKSUJKDBSA-N 409.494 1.949 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705872765 KBNPABLUYZLUOS-HXUWFJFHSA-N 413.503 1.545 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1705895330 BULUJKGPBCFNHE-LBPRGKRZSA-N 420.271 1.067 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705906240 XSGDTHZMBLQSQV-ZIAGYGMSSA-N 403.464 1.347 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706594007 RETHPUXTPQROAA-HJUNTIBCSA-N 415.498 1.035 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1706708785 HIWHTYUNEXWHRY-JOCHJYFZSA-N 424.505 1.870 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccnc1 1706877527 BNFAXODVDVHANI-KXBFYZLASA-N 417.539 1.656 30 10 HDEE CCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1710828372 TYWOMOAWTRRXKO-UHFFFAOYSA-N 418.505 1.965 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C[C@@H]1O 1712833448 JYNUKSUJSYTNSS-UIFIKXQLSA-N 424.549 1.871 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCOCC2)C1 1712875726 GSTZMKSBTURBJQ-PXNSSMCTSA-N 406.506 1.726 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1722384375 VQLJBRZULBPPKV-DLBZAZTESA-N 412.519 1.027 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCOC[C@@H]1C 1722426033 VSYZTKFCLKRCFL-INIZCTEOSA-N 418.567 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCSC2)CC1 1722447725 MVRMJEUXLCWVAL-SJLPKXTDSA-N 417.579 1.891 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1722452146 MDSNUUYDEUQKMO-HNNXBMFYSA-N 419.555 1.756 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722690692 LUIQXAUSMKXBAN-RRQGHBQHSA-N 417.441 1.421 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1722700030 SZBPHVMLNCRJNU-MRXNPFEDSA-N 400.870 1.553 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(C)s2)C1 1722711249 SYBNOZQLDCIGKV-BEFAXECRSA-N 420.539 1.920 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722731745 QOFPQIRFOCWJRD-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1728186481 PJBKZDXDAAWMOC-QFIPXVFZSA-N 421.505 1.449 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCOCC2)cn1 1730770987 GWHSEEHQNQLDHO-UHFFFAOYSA-N 407.478 1.935 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1730890254 GXRFMGFSBGPQPI-SFHVURJKSA-N 412.494 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)N1CCOCC1 1730928736 AEFLBNNVTHLZNF-MHORFTMASA-N 406.531 1.461 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1731186793 GTKDPDJTPJWCHN-SFHVURJKSA-N 415.519 1.574 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740621483 MBEAUELYUKGHOU-HOTGVXAUSA-N 419.576 1.663 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740623186 PRSKWLJRPFWGON-KXBFYZLASA-N 414.531 1.884 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740625486 FXWFVMBXPHKFDA-ZWKOTPCHSA-N 423.583 1.487 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(F)cn1 1740679686 GTSIYDXZGNYSCW-HXUWFJFHSA-N 403.458 1.599 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)CC1 1740818570 NNKFVQKDKOUOMV-OAHLLOKOSA-N 419.555 1.554 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740959989 ILTCGQJEKXYQEI-IBGZPJMESA-N 409.556 1.184 30 10 HDEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1741594560 IVUBSRAGWBEEOP-KBPBESRZSA-N 416.573 1.006 30 10 HDEE CCc1nnc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)n1Cc1ccc(C#N)o1 1744694301 UGVVDPSGJVAGCC-UHFFFAOYSA-N 408.422 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1748686408 OQCDCMSNDSSMOK-AWEZNQCLSA-N 411.441 1.607 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCOCC1 1749079926 CPRGIWUTXYAKJC-ZVVDCOBXSA-N 417.554 1.715 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC)C1CC1 1749519678 PJZWPJPBVYCJET-OAHLLOKOSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H]2C[C@H]1CO2 1749680489 LPLKJFRZNVUQRZ-GJZGRUSLSA-N 401.442 1.666 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1750381737 CRVYVRGUWBZXLN-ZZEZOPTASA-N 419.445 1.180 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)c1 1750385025 YVLULPNGHFAKSR-UHFFFAOYSA-N 422.493 1.265 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1760117727 SRFKFFHIXVRLTP-BFHYXJOUSA-N 423.564 1.850 30 10 HDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)CC1 1760135458 WPOIIQGIHAMJFU-UHFFFAOYSA-N 410.503 1.966 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760156626 NHAMSLFRNGUEGF-UHFFFAOYSA-N 415.567 1.257 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1ccnc1C 1760202140 UJUYXOADXNAGAX-UHFFFAOYSA-N 412.457 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(C2CC2)C1 1760211052 AABWPBGGZNNULI-AUSIDOKSSA-N 411.550 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1CCCO 1760216720 YIEHOZSWEPRKQR-HXUWFJFHSA-N 406.534 1.958 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1760349034 WWGWNVIJMDDTMT-KRWDZBQOSA-N 414.514 1.540 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1760383657 VRJKRRQFJMTZQY-WIYYLYMNSA-N 405.543 1.807 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CC2)C1 1760546864 XWNNWQABZUNICZ-QGZVFWFLSA-N 417.535 1.622 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](COC)C1 1760553400 BPSBBDUHGHXNGO-MRXNPFEDSA-N 420.539 1.589 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761560315 ANXAASZEPLPLKO-CABCVRRESA-N 411.466 1.469 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)o1 1761750637 DYYBHIVPNZFNOJ-HNNXBMFYSA-N 400.336 1.967 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1764079253 XUPWEDYJSBFFLT-ZDUSSCGKSA-N 415.502 1.003 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1767766828 VCIBMJGHAAGXEN-ZACQAIPSSA-N 424.571 1.615 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1769489866 ABMXSUDJHGMLBX-RBUKOAKNSA-N 413.478 1.474 30 10 HDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1769500682 WZPQTDJEKVGGJD-UHFFFAOYSA-N 412.450 1.142 30 10 HDEE O=C(CS(=O)(=O)c1cccc2nsnc12)ON1C(=O)c2ccccc2C1=O 1772787046 UTRGSURCNMZKKZ-UHFFFAOYSA-N 403.397 1.219 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)NCC#CCN3CCc4ccccc4C3)cc21 1848573445 LVPYIQSPXXBIEH-UHFFFAOYSA-N 411.483 1.472 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1N(CCCN1CCOCC1)C(=O)[C@H]1CCCOC1 1849869415 LNDKTDDLXDHEKF-INIZCTEOSA-N 402.451 1.948 30 10 HDEE CN(C)C(=O)[C@@H]1C[C@H](OC(=O)c2ccc(CC#N)cn2)CN1C(=O)OC(C)(C)C 1852157724 SUKUXNYLSKBEQL-HOCLYGCPSA-N 402.451 1.771 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1cc(C)ccc1F 1852507113 VOFWXVSZGAOSBR-UHFFFAOYSA-N 420.452 1.901 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)n1 1852661085 BLFXKEZDHLLXQG-IBGZPJMESA-N 418.501 1.919 30 10 HDEE C=CCC1(S(=O)(=O)N(Cc2cn(Cc3ccccc3)nn2)[C@@H](C)C(N)=O)CC1 1853441269 CRZYRSCSJJFQKM-HNNXBMFYSA-N 403.508 1.441 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)CN(C)c3nc4ccccc4s3)C(=O)C2)C1 1853638209 BMIFZWNLYRYJET-MRXNPFEDSA-N 413.547 1.664 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(CC4CCOCC4)C3)CC2=O)cc1 1853664776 DNEQJYJVGJECCQ-NRFANRHFSA-N 410.518 1.272 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)[C@H](C)C1=O 1854182754 OXCQKVGEYFFVNJ-LSDHHAIUSA-N 400.458 1.963 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(Cc4cccnc4)CC3)C2=O)c1 1854201882 FZZFFOCDIGRROV-NRFANRHFSA-N 403.486 1.902 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccccc4F)C3)CC2=O)ccn1 1854246725 RIXZVOFKYVEKKU-IBGZPJMESA-N 407.449 1.651 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854449640 NWMIILSMOWXQQP-HOTGVXAUSA-N 410.540 1.086 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)CCc3scnc3C)C2=O)CC1=O 1854861884 BNSTZFHPUPSEAP-JKSUJKDBSA-N 404.536 1.478 30 10 HDEE CN1CC2(CCN([C@@H]3CCCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)CC1=O 1855068434 WKHLKMXMDHTNFS-LJQANCHMSA-N 408.502 1.563 30 10 HDEE Cc1ccccc1-c1cc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)no1 1855073083 UABRNQRAUQGCBS-KRWDZBQOSA-N 407.474 1.922 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)nn1-c1ccccc1 1855094031 HCPNGCCFZNPSJO-LJQANCHMSA-N 406.490 1.453 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CC(C(=O)N4CCCC4)C3)C2=O)c1 1855101622 LSFUGQJFFAHUTD-SFHVURJKSA-N 414.893 1.701 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1=O 1855575237 KJMZXWMNVNTEIU-INIZCTEOSA-N 407.467 1.656 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)c1 1855907117 VJONRVOZPMVDOZ-RBUKOAKNSA-N 408.502 1.959 30 10 HDEE COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1855998818 FJVALNYGNSSWOU-CABCVRRESA-N 405.476 1.101 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1=O 1856432545 RQUGHWPGIXOXBF-GOSISDBHSA-N 408.437 1.446 30 10 HDEE C[C@H](C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)c1ccccc1 1856652883 HQHVNXASMXWNLD-WMLDXEAASA-N 405.476 1.703 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1=O 1856725015 DUIRJXRTQZCGMD-OALUTQOASA-N 401.482 1.995 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(CC)cc3)C2)CC1=O 1856792757 WNKWRLZCSSVKFM-JKSUJKDBSA-N 408.476 1.131 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3csc(-c4cnccn4)n3)C(=O)C2)C1 1856861187 CQWPSLGPVYHGPB-HNNXBMFYSA-N 412.519 1.535 30 10 HDEE CC(C)c1ocnc1C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857071251 HUQBCDQCJBCTOD-INIZCTEOSA-N 408.462 1.628 30 10 HDEE C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857178137 SWKHMJWKNITWMD-DLBZAZTESA-N 402.470 1.642 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(CC(=O)c3ccc4c(c3)OCCO4)CC2)CC1=O 1857232833 DYYCNMVOUFUVMO-KRWDZBQOSA-N 411.458 1.641 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 1857238793 ZOEUYGBFOIULJU-KRWDZBQOSA-N 409.490 1.455 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2nc3ccccc3o2)C1)[C@H]1CCN(C)C1=O 1857262326 JYOXMBBMSZQYFT-WBVHZDCISA-N 410.474 1.464 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)CC[C@H]2CCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857461427 SQEHRLYNHORRQA-HUUCEWRRSA-N 405.476 1.957 30 10 HDEE N#Cc1ccccc1Nc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ncn1 1858248222 BREVHICJIQADQN-UHFFFAOYSA-N 422.470 1.712 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688056 WLQJRFYQODGLQC-AWEZNQCLSA-N 400.483 1.447 30 10 HDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871715848 CSHPFODHBAQQSO-UHFFFAOYSA-N 404.478 1.484 30 10 HDEE C=CCNC1=C(c2ccccc2Br)C(=O)N(CCN2CCOCC2)C1=O 1873069996 CVUWSJGZOGVVIB-UHFFFAOYSA-N 420.307 1.637 30 10 HDEE CCOc1cc(/C=N/n2c(C)nnc2SCC(N)=O)cc(Br)c1O 1874530855 FAXHUIXNWLVFBE-UBKPWBPPSA-N 414.285 1.913 30 10 HDEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1889746663 UVSMNZVBHSIEMV-MRXNPFEDSA-N 406.504 1.398 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)c(F)cc3F)CC2)CC1 1890613012 PGATYQLVBOHFHC-UHFFFAOYSA-N 423.479 1.905 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1905605952 WAQDCELYWCLLFK-GOEBONIOSA-N 422.331 1.896 30 10 HDEE C#CCN(CC(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1985009252 NHPHDEONHVHIOW-QHCPKHFHSA-N 415.534 2.000 30 10 HDEE O=C(N[C@H]1COCC[C@H]1N=C1NS(=O)(=O)c2ccccc21)OCc1ccccc1 2106034426 HCNXHSGNCYGPKW-SJORKVTESA-N 415.471 1.809 30 10 HDEE C=CCN(C[C@@H](CS(=O)(=O)N1CCOCC1)NCCC)C(=O)OC(C)(C)C 2145732708 VZVQJNMCNIIJMK-INIZCTEOSA-N 405.561 1.440 30 10 HDEE COc1ccc(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)s1 2154087235 UOEAIDLONJKCDZ-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)C[C@@H]1CCCO1 2157047422 LHAJZMLXOBETHE-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE CC(C)(C)OC(=O)NCC12CCC(C(=O)N[C@H](CCS)C(=O)O)(CC1)CO2 2180567770 NHYDYQYKVPLNDQ-RGZNSWCXSA-N 402.513 1.730 30 10 HDEE CN1C[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](NC(=O)OC(C)(C)C)C1 2217477929 ZOHPBRMLYRTMLF-CVEARBPZSA-N 419.331 1.967 30 10 HDEE CO[C@H]1CC[C@H]1CS(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2239423273 QPKXXTBIWZKYTD-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243428202 IEIAZEQICBESJG-CABCVRRESA-N 408.304 1.355 30 10 HDEE CCN(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2248058495 ZBAOCINGRXQRGM-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250004048 GDFDBYQUDSWTRU-HOTGVXAUSA-N 422.331 1.888 30 10 HDEE Cc1cc(C(=O)NC(C)(C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282007162 AENODVFBKCGOSE-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(C)(N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282315593 QANRAIWFBMSVOM-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CN(CCN1CCCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329736 QNYAXELEVTYTRN-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282344632 WMVGVACHZHEHCL-YMXBGEKHSA-N 401.359 1.421 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](N)CC(F)(F)F)s2)OC1(C)C 2282344815 DLKLRRGTRQSEJB-VIFPVBQESA-N 414.280 1.605 30 10 HDEE CC1(C)CC[C@@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282354153 NCIABCMPJNSWDP-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282484325 CCHODDDHDDDTSR-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CC[C@H](CN(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282496695 GBZUAJRDFPOIQF-CQSZACIVSA-N 402.391 1.807 30 10 HDEE Cc1nc(C(=O)N2CCS(=O)(=O)C[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282520699 UDYUPSXJAYTVLS-SNVBAGLBSA-N 400.331 1.010 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1=O 2282829019 YIQAEOYEIFTMLG-SECBINFHSA-N 420.749 1.210 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CO)s2)OC1(C)C 2282850708 SCQDECLQAGEDCY-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE C[C@@H]1CCNC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852546 QITMNRXPJSXEBW-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](N)CC(F)(F)C3)c2)OC1(C)C 2282854853 WRGSOTXHIUNJSE-LLVKDONJSA-N 408.301 1.404 30 10 HDEE CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282860116 VQRAFAYUMIHZQZ-KGLIPLIRSA-N 401.359 1.971 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCc2nn(C)nc2Br)[nH]1 2337030594 SWBIZSODYBMXEQ-UHFFFAOYSA-N 408.109 1.614 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CCN(C(=O)OC(C)(C)C)CC1 2365203843 VNJWOFJDWTXIGA-INIZCTEOSA-N 401.573 1.344 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CCN(C(=O)OC(C)(C)C)CC1 2365203844 VNJWOFJDWTXIGA-MRXNPFEDSA-N 401.573 1.344 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365205206 SNHJMODVHJOAAJ-BZUAXINKSA-N 404.573 1.688 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2COC[C@H]2CCS(=O)(=O)N2)OC1(C)C 2365694374 GJMMCQYMGGMJSK-CQSZACIVSA-N 401.721 1.848 30 10 HDEE COC1CC([C@H](N)C#CC2(S(C)(=O)=O)CCC2)(N(C)C(=O)OC(C)(C)C)C1 2367799139 XVOXEDBSSBRLBB-XAUUPUKJSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806458 KSBHXKPTOHVCCP-KHYOSLBOSA-N 400.541 1.483 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813839 HFBANHYVKHLRTE-DAYGRLMNSA-N 400.541 1.435 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N=C2NCN([C@H]3CCC[C@H](C)[C@H]3C)CN2)cc1 19332684 XQHQCJWXMUFBMZ-IYOUNJFTSA-N 407.540 1.924 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])C1 40618065 OPEMIOLXWRKVBD-CQSZACIVSA-N 401.427 1.798 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C)CC1 41787845 QADWJHHPCUCWQP-UHFFFAOYSA-N 403.433 1.519 30 10 HDEE Cc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 263628047 LEAQTUSPOBBPEO-HUUCEWRRSA-N 410.517 1.847 30 10 HDEE C[C@@H](C(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1)n1cnc(C#N)n1 409611375 IOMMVSITGJBLDO-AWEZNQCLSA-N 412.885 1.746 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 436597848 RKWKDTLCRSFNKO-SFHVURJKSA-N 413.478 1.610 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)N4C[C@H](C)O[C@@H](C)C4)no3)cc2C1=O 445399457 AYQVVVBQBVKKRM-STQMWFEESA-N 410.430 1.697 30 10 HDEE Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cnn(-c3ncccc3C#N)c2)no1 461302525 SYYVQZLJKMBNRU-LBPRGKRZSA-N 411.447 2.134 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(F)F)c2)CC1 467703299 AYTFIQBDBBBVPO-UHFFFAOYSA-N 424.433 1.558 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)o1 471205349 XEIXQNSUQCSFMH-UHFFFAOYSA-N 423.469 1.975 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)CC1 472435136 RWAMEPHTBALZGW-RCCFBDPRSA-N 418.519 1.532 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ncccc3O)CC2)cc1 473637904 DEXZAAFAGVRFSZ-UHFFFAOYSA-N 400.460 1.376 30 10 HDEE CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)CNC(=O)c1ccc(C#N)cc1 473953908 VVASKALALNJMAF-KRWDZBQOSA-N 412.471 1.441 30 10 HDEE CCNS(=O)(=O)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 477927925 LZCGBNPOLJDUDV-UHFFFAOYSA-N 402.476 1.735 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482602898 HKGYFHVNOZKMNU-UHFFFAOYSA-N 412.515 1.883 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 490225222 QLDJOVUKMUURLW-ICSRJNTNSA-N 421.492 1.339 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(F)F)[C@H](CC)C2)cc1 498786127 XIEXIRLKVTUKPM-OAHLLOKOSA-N 401.479 1.952 30 10 HDEE Cc1c(C#N)cccc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 504741326 OJZUVQCDXGDGFV-UHFFFAOYSA-N 424.482 1.409 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)no1 505737218 VUUHXFODOQGYQI-HXUWFJFHSA-N 419.482 1.327 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CCC(=O)NC(C)C)nc1C 526912508 XPVYNVYZMNCLMQ-AREMUKBSSA-N 401.510 1.396 30 10 HDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 532922578 BLWPGPDJXFAGQG-YJBOKZPZSA-N 406.914 1.932 30 10 HDEE C=CC[C@H](CO)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 544034806 NOYNAPYHLCHVPL-CQSZACIVSA-N 401.554 1.701 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546904134 UIBTVDOABFIKEG-UHFFFAOYSA-N 413.503 1.143 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CN1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 569177357 HGFHQGXBOOXBSY-QGZVFWFLSA-N 422.942 1.573 30 10 HDEE COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 571213223 GWLYTLDZJVDXLH-UHFFFAOYSA-N 401.373 1.527 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)c(F)c1 586809407 IDAGZPCVFHYBBQ-IBGZPJMESA-N 424.432 1.747 30 10 HDEE COc1c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cnc2c1cnn2C 612276446 VNWPQOJSPCSUMU-UHFFFAOYSA-N 407.434 1.676 30 10 HDEE CCc1ccccc1NC(=O)CNC(=O)CN1CCN(c2ncccc2C#N)CC1 619510239 JVPLWVXZNHNKNL-UHFFFAOYSA-N 406.490 1.393 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(Cl)cc1C#CCO 703969249 INRMBRNGJYRFMG-UHFFFAOYSA-N 418.858 1.722 30 10 HDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C3CC3)nc21 732664442 JMXUNCBXXSHPGL-AWEZNQCLSA-N 408.462 1.207 30 10 HDEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)O1 732707347 YFKIZWUSSFMDCN-NUJGCVRESA-N 411.506 1.437 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCCCCN1C(=O)c2ccccc2C1=O 741340772 HEEAFAOPHSUNIC-VHEBQXMUSA-N 411.414 1.523 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)CC1 742273257 QDDALHJAGNBSQT-UHFFFAOYSA-N 407.496 1.026 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OCCCOC)C1 748009884 FMVBGIPOECDAAE-KRWDZBQOSA-N 423.535 1.548 30 10 HDEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)c1ccc(C#N)cc1C)CC2 748841545 JADOZBHXPSSRDH-UHFFFAOYSA-N 415.471 1.917 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc12 750778723 SCIWHJQOWRBKGH-AXNLMSORSA-N 406.446 1.241 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O)C1CC1 753984608 UKQKHAAPTLDDCQ-AWEZNQCLSA-N 405.499 1.889 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)c1 760913664 BYEWBMPGAXEYFN-SFHVURJKSA-N 417.531 1.509 30 10 HDEE O=C1N=C(NN=CC2=C(N3CCOCC3)/C(=C/c3ccc(Cl)cc3)CC2)NC1=O 765591546 OOGZACLFXKQTIJ-GBCRDCMXSA-N 413.865 1.691 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](CO)c1cccc(Br)c1 766983716 OQNSIMMPCCYRSQ-UWZWCOGJSA-N 423.267 1.308 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1)c1cc[nH]n1 772433290 MNJUBSWULFORCX-CYBMUJFWSA-N 411.422 1.152 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1)[C@@H]1CCS(=O)(=O)C1 774052653 LROBVPJZEFCECG-CQSZACIVSA-N 418.454 1.333 30 10 HDEE C#CCN(C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 776266618 VYAPIZZYKKTLML-VQTJNVASSA-N 403.548 1.729 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 783016598 IXYZHPXVDDYJRW-OALUTQOASA-N 407.536 1.873 30 10 HDEE C[C@H](OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)NC1(C#N)CCC1 787606966 VPJQESRWWJEETF-ZDUSSCGKSA-N 413.455 1.843 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)n1 790107886 OIALZRZTUSRYRG-RBBKRZOGSA-N 424.501 1.720 30 10 HDEE CSc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cnn1C 790836227 MIVSEUDHPGSNOK-UHFFFAOYSA-N 415.294 1.895 30 10 HDEE C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 803922875 WGQAHPDUWHIEQF-WBMJQRKESA-N 408.451 1.306 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)Cc1ccc(F)cn1 805868953 OFEQLNPURNBYAY-UHFFFAOYSA-N 424.388 1.686 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(C)nc(N3CCCC3)n2)n1 813856414 DLVARFOOENAVFX-UHFFFAOYSA-N 411.510 1.573 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)CC2(C#N)CC2)CC1 815412727 ORQPQVYHJMWRKB-UHFFFAOYSA-N 409.402 1.692 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(=O)cc[nH]c2c1 816409923 HMTNBVMAQHDZTC-UHFFFAOYSA-N 410.455 1.273 30 10 HDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 1124381607 ZHYSXFNQDAOXER-SFHVURJKSA-N 417.531 1.522 30 10 HDEE C#CCN(C(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C1CCN(C)CC1 1134043672 LOPRIMBYRXPKSY-HSZRJFAPSA-N 408.502 1.541 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1 1137752278 PAHWXWIZOGXAHO-CQSZACIVSA-N 404.529 1.413 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1CCC#N 1141411565 BXRNBTWTJNFIEO-UHFFFAOYSA-N 412.475 1.124 30 10 HDEE CN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)NC1=O 1141877969 INUJBHBUAVSPFK-JJTVEENBSA-N 407.496 1.242 30 10 HDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CN1CCCC1 1142640860 LQCXTQDQMKDBAQ-UHFFFAOYSA-N 406.552 1.838 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1146221947 VRZXIOJOVYZMAT-AUUYWEPGSA-N 417.487 1.023 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CNC(=O)NC)C1 1147719822 FEFVDJDKGDNGFR-OLZOCXBDSA-N 404.895 1.179 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 1154152952 QMYIDBDRZKGNHW-OAHLLOKOSA-N 420.422 1.597 30 10 HDEE C[C@H](CC(=O)Nc1cc(C(F)(F)F)n(C)n1)/N=C1/NS(=O)(=O)c2ccccc21 1157067207 PXKNECNQMGWCDV-SECBINFHSA-N 415.397 1.895 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1160058351 AKLIHJWJBFQUSG-DLBZAZTESA-N 415.494 1.484 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175426576 IJOUEFPZIWHOHX-JJXSEGSLSA-N 407.467 1.066 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1180447764 NIYCHTJHNGUSLT-KUHUBIRLSA-N 414.487 1.992 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 1192286682 TUTFYJMSRUIMOE-UHFFFAOYSA-N 414.549 1.875 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(Br)cc1 1230499524 YFHTWPQPLCDYFZ-SWLSCSKDSA-N 414.325 1.799 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc(I)c1C 1275550178 YTQYVOCJEQCRKD-JTQLQIEISA-N 400.172 1.982 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1286282997 RFKOUSNFPCFJAE-OAHLLOKOSA-N 423.477 1.348 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1286291133 BPRPGHCNMPGHKB-YPMHNXCESA-N 403.284 1.893 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389053 XXSNDVBKNOAIHS-NQIIRXRSSA-N 416.547 1.979 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1C 1286440664 HQJJSVKUZULTAN-UHFFFAOYSA-N 402.466 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCCOC)CC1 1286474468 FVYALAHWYMVEDV-UHFFFAOYSA-N 408.506 1.625 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286476487 YAQGQGSAAKZXFK-PXNSSMCTSA-N 413.497 1.891 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@](C)(CC)C1 1286784545 LIDWHKYUMYRCJM-NRFANRHFSA-N 413.478 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@@H](C)C1 1286785257 CSBQYUHGJBYKIQ-KBPBESRZSA-N 400.483 1.790 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1288234422 XHHPMGNCHQTFGD-DLBZAZTESA-N 407.478 1.056 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)n1 1289988118 GQQITVFSOFHWDY-ZWKOTPCHSA-N 412.494 1.821 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)COCC3CC3)C2)C1 1294796758 XONUYBDQMJXYTQ-GWWPLSDWSA-N 407.511 1.677 30 10 HDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1297546200 CRKDFMMBHDCJDI-UHFFFAOYSA-N 412.498 1.046 30 10 HDEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1298060826 DSRBHWATMAJIOB-QGZVFWFLSA-N 416.489 1.638 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CC1 1298660988 SNTMZSXGLNFFNA-UHFFFAOYSA-N 407.352 1.687 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 1300020829 NMKSXCSSDKHPRZ-BZUAXINKSA-N 415.437 1.818 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1300299540 RBARLGBAIAMLMB-CQSZACIVSA-N 402.524 1.733 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1300311617 UPKUAYJUSAHIBT-NVXWUHKLSA-N 407.540 1.569 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1300481970 CRBUEMORPBGZFC-UWVAXJGDSA-N 422.551 1.366 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1300601335 GDLOZOXLYQUHFE-QOKNQOGYSA-N 409.556 1.553 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCOC2)CC1 1300685430 NQEUNEAXZDHTIT-NQIIRXRSSA-N 403.527 1.112 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCC2)CC1 1300697714 IJWRMKPACNOBSA-QGZVFWFLSA-N 400.527 1.191 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(N)=O)C1 1300750818 CNQDSJLGFKZDOE-OAHLLOKOSA-N 413.503 1.394 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1300769917 MBIMYCDGQAKCHM-KRWDZBQOSA-N 415.567 1.598 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1300778643 CERUHYJVEGOZEA-SZMVWBNQSA-N 421.567 1.426 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1300802182 JMXZBKMZJSEBNS-BXTJHSDWSA-N 400.483 1.500 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1300890789 HUVRMXGUSVEVQB-MJGOQNOKSA-N 418.567 1.690 30 10 HDEE COCc1nc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cs1 1301210466 RVLPDFYHKFTYIY-DZGCQCFKSA-N 404.496 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1301491819 ZQNSJQAPNQBBOM-INIZCTEOSA-N 409.498 1.228 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301507021 TZLDZGUAAUTZTR-GOSISDBHSA-N 408.506 1.291 30 10 HDEE CS[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302555771 SCRYBLMHALYGCW-IAQYHMDHSA-N 413.507 1.516 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2ccc(Br)c3cccnc23)c1=O 1307372284 PKKDWKOIMQLWBD-UHFFFAOYSA-N 401.220 1.233 30 10 HDEE COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1307796613 CJLWLNJMXXHAQX-IBGZPJMESA-N 416.503 1.488 30 10 HDEE N#CC1(C[C@H](O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)CCOCC1 1307967702 CYFAEYJCNQVOGB-IBGZPJMESA-N 415.538 1.564 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)CCOC1 1314138054 IAGRKRWVRFDVHY-XAUMDUMWSA-N 404.515 1.142 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(C)C)CCOC1 1314143367 VGYXBVDNXUULND-XLIONFOSSA-N 407.515 1.722 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 1317961171 QTULAYRLBXIVRJ-LJQANCHMSA-N 418.501 1.617 30 10 HDEE N#C[C@H](C(=O)CN1CCC(c2nnc3n2CCC3)CC1)c1nc(O)c2ccccc2n1 1340786732 QZQSQKZAPYBXNE-MRXNPFEDSA-N 417.473 1.929 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1358903794 JZKAFIDONZBDLK-MRXNPFEDSA-N 407.540 1.331 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1358930160 PMZSKDNTRGKELQ-IRXDYDNUSA-N 409.556 1.507 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC1CCCCC1 1358939850 HCVFPHZQRJBQOH-OAQYLSRUSA-N 403.527 1.839 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1358963631 LIZIQNUKOVSMLC-RBUKOAKNSA-N 421.611 1.978 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCNC(=O)C2CCC2)CC1 1359036277 RYVAWSKLWVJSAI-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359215035 SLECSESMRLLCKZ-IRXDYDNUSA-N 415.542 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](CC(N)=O)C1 1359298965 QJNWZMJDEDAUFF-OAHLLOKOSA-N 421.505 1.820 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359320283 OGVILMMYTHFSSH-VQIMIIECSA-N 410.540 1.267 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1437553852 BCOKFPKOKFIJEL-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE CC1(C)CCC[C@](O)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1441013446 SSFQZAANNASFOZ-HXUWFJFHSA-N 405.520 1.722 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 1446092419 BXZBUZGSWYTYGP-RTWAWAEBSA-N 418.559 1.981 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1455195313 XSYSNAZEZANBKS-QGZVFWFLSA-N 421.475 1.125 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3cnc(C(F)(F)F)c3C2)c1 1455253784 KHINXBUZTRRPCN-UHFFFAOYSA-N 416.356 1.994 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@@H]1CCS(=O)(=O)C1 1458878647 ZKIHOVKFSZLWFA-OAHLLOKOSA-N 412.581 1.588 30 10 HDEE Cc1c(C(=O)N[C@](C)(C#N)CN(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1459883917 WJPZIWRUTFFBDV-HXUWFJFHSA-N 419.530 1.732 30 10 HDEE N#C[C@@]12CN(Cc3csc(CC(=O)Nc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1460836477 STHWNNJGQFRUFZ-LIRRHRJNSA-N 416.528 1.694 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1462162606 JIBXMXWACSYAJJ-FOIQADDNSA-N 403.435 1.086 30 10 HDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)CO1 1462814535 CUQHYYFBCNRCKK-SIXWZSSISA-N 407.492 1.335 30 10 HDEE CN(CCC#N)S(=O)(=O)NCc1c(Br)cncc1Br 1463733093 DMGYRDVLOTVPTD-UHFFFAOYSA-N 412.107 1.786 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1464843473 HVTJZFJKEOVIBI-INIZCTEOSA-N 420.514 2.000 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]cc2C(=O)OC(C)(C)C)c1 1469447326 WSOCLOOISJLSTJ-UHFFFAOYSA-N 404.448 1.529 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1469730125 SKNWETMSBVQHFD-OAGGEKHMSA-N 407.515 1.692 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@H]1c1ccnn1C 1470343407 ORTFNNYCSQVDHI-RTWAWAEBSA-N 422.489 1.381 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1)C1CCOCC1 1470863392 BVAHGQCTKONNSI-GOSISDBHSA-N 415.490 1.600 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 1471832951 MAMVWALKBSUYHY-ZDUSSCGKSA-N 403.426 1.198 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)O2)[C@@H]1C 1471929350 JVYOUJHKBMWWID-ZYKCCNLVSA-N 410.467 1.825 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1[nH]c(C)nc1C 1471981606 UIQJZJNZUKDJAK-HNNXBMFYSA-N 403.508 1.940 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NN3C[C@H]4CCC[C@@H]4C3)CC2)cc1 1472444770 VIUIBGGDZKZVSM-QZTJIDSGSA-N 402.520 1.722 30 10 HDEE N#Cc1nn(CC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cc1[N+](=O)[O-] 1473064893 OZFKHPMTQSSGGC-ZDUSSCGKSA-N 405.367 1.146 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 1473846994 CIOLZTOKPPOIBM-NRFANRHFSA-N 402.495 1.526 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Br)cc2c1NC(=O)CO2 1477033710 SZIKWXRFNKSOBF-UHFFFAOYSA-N 418.269 1.502 30 10 HDEE CCOCCOC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1478404931 WNVIQBPRJVJYKN-WBVHZDCISA-N 410.515 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)C1 1478404992 XAXJCDULSIXPTH-MWDXBVQZSA-N 408.499 1.725 30 10 HDEE COC1(C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504038098 SETZIOVFOWPONV-VHEBQXMUSA-N 423.477 1.015 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1505100683 AMNCOXPUTXZWTL-WOJBJXKFSA-N 410.522 1.889 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C2CCC2)C1 1505315473 QWSNLWFUVCGZFY-UZLBHIALSA-N 404.490 1.920 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507516205 JVHAIATZGALRDN-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(C(N)=O)CCOCC1 1507608838 STJDQSMFQCUYPU-UHFFFAOYSA-N 419.489 1.482 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cccn(CC)c1=O 1507670642 SHKOLNQAKFROFU-UHFFFAOYSA-N 400.486 1.957 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(CCC)C2)CC1 1507724148 IMHMZBRABWKOEV-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCCCO2)CC1 1507726786 LVUQUKCKPPGEJV-SFHVURJKSA-N 400.527 1.115 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507874781 WRGWTYWORSXXOH-DEYYWGMASA-N 411.890 1.786 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1507967638 IUZCZZSAERLNFB-FZKQIMNGSA-N 411.503 1.557 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1508075119 UVSDCMKKYHBNGZ-DZGCQCFKSA-N 420.901 1.536 30 10 HDEE CC(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1508395421 OWLHRXGLGLUQCQ-YLJYHZDGSA-N 414.441 1.759 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2COCCO2)cc1 1518201707 AQNKPRXXCIPRMC-WIYYLYMNSA-N 415.469 1.929 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 1525241275 LIIIQVKCRUEHFH-INIZCTEOSA-N 404.488 1.823 30 10 HDEE CC(C)(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)NS(C)(=O)=O 1528579565 PXOQSBVYOZVYAN-CYBMUJFWSA-N 404.533 1.408 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 1532869858 UUEAPLMSPNWKRD-VNHYZAJKSA-N 401.423 1.555 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)c2C#N)C1 1533853002 GVXAWVZUKNLNJN-NRFANRHFSA-N 408.483 1.921 30 10 HDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC 1539517069 HWEPGHBEQDIKCM-OAHLLOKOSA-N 415.585 1.214 30 10 HDEE N#Cc1c(CCCNC(=O)c2cccnc2OCCO)nn(-c2ccccc2)c1N 1540796895 CPSIDBGTRMBZJP-UHFFFAOYSA-N 406.446 1.455 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1540902468 KEFUGLPJLAUCAO-GOSISDBHSA-N 415.519 1.891 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3nnnn3-c3ccccc3)n[nH]2)c1C 1542366194 BVGCPSNKCIEYIV-UHFFFAOYSA-N 403.450 1.982 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2C)CC1 1544630322 HOTBQFIBCYUTOW-UHFFFAOYSA-N 421.519 1.991 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)c(=O)nc1O 1545612820 YOBMOGFSBNJUFC-ZDUSSCGKSA-N 424.379 1.197 30 10 HDEE C=CCONC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 1556633416 FBGQVKVFGLXZIE-NSHDSACASA-N 419.297 1.754 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)N(C)C)c1 1556650294 FHURIGXSUMHRDY-CYBMUJFWSA-N 415.475 1.957 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCn3cnccc3=O)C2)C1 1557152508 CKSDUZVWRPXNQN-CHWWFWEZSA-N 401.467 1.146 30 10 HDEE N#CCN1CCC(CNC(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1565738443 XBMQBFKRWFLPNG-UHFFFAOYSA-N 403.284 1.995 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCCS2(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1566786959 MWLFIBWOFDMIFL-INIZCTEOSA-N 407.341 1.991 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)CC1 1568995167 LXVIUNBBUFTLDR-FQEVSTJZSA-N 412.446 1.067 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1SC 1570675017 OETRRDFFODXUPV-GDLHICMESA-N 411.549 1.529 30 10 HDEE C[C@H]1NC(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)=NN(c2ccccc2)C1=O 1570830937 GYRPMHUKRGBNLS-OXQOHEQNSA-N 416.485 1.934 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(C#N)s2)cc1S(=O)(=O)N1CCOCC1 1585414463 VBXYCEXMGNKKGA-UHFFFAOYSA-N 405.501 1.879 30 10 HDEE COc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cnc1OC 1586521839 LIOSVDMFZJRJMK-HNNXBMFYSA-N 409.402 1.814 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1587550305 GNVJUSYMJFTZAR-LAUBAEHRSA-N 402.495 1.660 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587632782 OVRVSQHDKVJJIB-DZFGPLHGSA-N 409.534 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1587668142 TWCVRZBNBDQEMW-CQSZACIVSA-N 416.551 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1588159417 WEZXIEQPMBACEZ-FQEVSTJZSA-N 422.508 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCNS(C)(=O)=O 1588193439 CXBQMOHYIHYDPC-UHFFFAOYSA-N 411.487 1.703 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCC[C@H](C)C1 1588559502 IXZCPXZTUOZDTA-ROUUACIJSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OC)CC1 1588733461 TWTZNHYSLLJTHC-UHFFFAOYSA-N 410.522 1.537 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CN(C)C)c2)CC1 1588805723 AXGJDRIETJXWJU-HXUWFJFHSA-N 421.549 1.094 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588923667 IHKWIEQDDFWREI-QGZVFWFLSA-N 412.538 1.426 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1594628015 YPASCBWTSBFWFT-HUUCEWRRSA-N 409.512 1.177 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1594912951 AWFKMMKVDNWNSS-UHFFFAOYSA-N 417.477 1.773 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@@H](C(N)=O)C1 1595570119 YAKSCHRBOOMTHN-QGZVFWFLSA-N 421.505 1.285 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595688700 MUXDPKJWKWAGFU-CABCVRRESA-N 414.466 1.616 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597832982 NWJXPYOSHVPFAG-KRWDZBQOSA-N 411.510 1.536 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cscc2C#N)C1 1611546024 HUXMWDHOQMLLBS-ZDUSSCGKSA-N 413.521 1.774 30 10 HDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc(Br)ccc2C#N)CC1 1612382103 XTUNCIZTNJKTKC-UHFFFAOYSA-N 421.342 1.415 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1617213288 AUBFOMJRAXVZAI-LJQANCHMSA-N 423.521 1.254 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1620025462 QCJCTBMCJPLQJC-PLMTUMEDSA-N 415.494 1.639 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 1621609920 UOGLZZGNSQRUAY-ROUUACIJSA-N 403.548 1.479 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OCC 1622145185 IVMAAXKFILKNFE-CYBMUJFWSA-N 409.913 1.920 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OCC 1622506754 YTAKFXZIHQVXDH-LLVKDONJSA-N 411.448 1.859 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1622752918 YGCQGGSQIZGGMD-QGZVFWFLSA-N 402.495 1.520 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1624251888 MGNDPOXAHVLGAI-UONOGXRCSA-N 416.902 1.757 30 10 HDEE Cn1cnnc1CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1624823137 FZPGKBTTXDCMQT-UHFFFAOYSA-N 403.284 1.634 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2cccs2)s1 1626160251 HXEUCOSZLYLTHZ-OAHLLOKOSA-N 414.530 1.847 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CC(=O)N(CCC)C3)ccc2c1=O 1626821342 FFODQLGENVDOPU-ZDUSSCGKSA-N 400.504 1.860 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)cc1 1626982981 CUZUFFYXRZNQMK-INIZCTEOSA-N 411.458 1.862 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1627414069 DJHRWVYABGJJAW-WDSOQIARSA-N 418.902 1.955 30 10 HDEE N#CC1(CC(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCCCC1 1629993912 HXNWTWPVCUXDOI-UHFFFAOYSA-N 418.563 1.973 30 10 HDEE C=CC[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCN1C(=O)OC(C)(C)C 1630030535 MAXFLQSOHAYQRD-FQEVSTJZSA-N 417.466 1.283 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)nn1 1630446020 UAZKAWYIGYLWHX-UHFFFAOYSA-N 404.902 1.792 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1631964542 OXTSHCFXDAELDJ-NRFANRHFSA-N 408.483 1.691 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)c1 1634005985 IBMKSPRAEMVEGM-NRFANRHFSA-N 416.499 1.330 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188199 OWBIODKNNKTKRZ-JXFKEZNVSA-N 400.435 1.027 30 10 HDEE C#CCN(CC(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2)C(=O)OC(C)(C)C 1634708355 PZKKCXLRXNZDFJ-GFCCVEGCSA-N 415.416 1.889 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2coc(CS(C)(=O)=O)n2)C1=O 1635568874 WYOFBKQRRRHPGE-QGZVFWFLSA-N 414.484 1.535 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 1635701479 PTIOPTCTHGAIAT-LENZSSGSSA-N 408.520 1.633 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1 1636289975 XBCYQCFVZVKXSS-UHFFFAOYSA-N 407.492 1.598 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3cnccc3C#N)CC2)n1 1636778292 RGKVAZKVMHSOQH-UHFFFAOYSA-N 416.283 1.534 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C1)C2 1637885107 DVEHVPMSHUCYDV-CWJKEVGVSA-N 410.518 1.867 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1639045149 BYBKMBOTVLPGQT-UHFFFAOYSA-N 418.475 1.650 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@]3(c4ccccc4)CNC(=O)C3)C2=O)cc1 1639973570 FLVUWNNCILEPGV-CVDCTZTESA-N 402.454 1.233 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](c3nn[nH]n3)C2)n(Cc2ccccc2)c1C 1644305038 GOQCFDGAWOIOKH-KRWDZBQOSA-N 404.478 1.966 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)OCC)ccc1F 1644784251 FXZITYMRSSLBQF-JKIFEVAISA-N 410.467 1.561 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(O)(Cc3nc(C(C)(C)C)cs3)CC2)CC1 1654529545 SELZKFRWVAWKST-UHFFFAOYSA-N 418.607 1.587 30 10 HDEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCOCC1 1658401863 UKECMUKDZWEKPX-DLBZAZTESA-N 422.323 1.993 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H]1CCC[C@H]1C#N 1659735943 BHFNMIGPSSUDAJ-DOTOQJQBSA-N 408.499 1.283 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664911790 GUOOBFIAJQQTEU-OAHLLOKOSA-N 413.507 1.549 30 10 HDEE C=CCc1cc(CNC(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)cc(OC)c1OC 1667710909 BJPHLXOZTCOMPZ-IBGZPJMESA-N 412.508 1.435 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OC 1669657192 IGLBFOSFECIKMD-SNVBAGLBSA-N 404.238 1.079 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1683871527 KHSAFZINNWSQME-DODVFSASSA-N 420.510 1.885 30 10 HDEE C=CCC[C@H](CO)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685136333 RLQQERVSVMBWEL-HUUCEWRRSA-N 419.544 1.037 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@@H](c3nc(CC)no3)C2)n1 1687745236 FGMRGARMHQIBBO-CVEARBPZSA-N 400.483 1.956 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1689916777 WNRSWBVGNASSLB-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(SC)CCOCC1 1690052839 RITFHUOFHIJQEJ-UHFFFAOYSA-N 415.563 1.776 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690469377 NDBDTWAFDZQOSK-GOSISDBHSA-N 402.543 1.639 30 10 HDEE C=CCn1c(Cc2ccsc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690646869 ZGEAFAOUCGVOMU-INIZCTEOSA-N 400.508 1.883 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2C[C@H]2C)CC1 1692496675 WZYDFGIFVFAQND-QAPCUYQASA-N 421.505 1.571 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1694841747 DPQIQQRWSCAMQU-QINHECLXSA-N 403.506 1.936 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1705553101 TUHIIOYDOOWBNJ-YLJYHZDGSA-N 405.568 1.449 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1705571259 XXQHREPEGRZQMR-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCCC1 1705582988 OCNZDVLWHZXADT-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1705596226 XNTGAYGATRZIOU-UHFFFAOYSA-N 424.505 1.631 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CC1 1705626942 OIVJEHMVTPQFNJ-UHFFFAOYSA-N 403.508 1.987 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(C)c2C)CC1 1705636642 RYLNADZRNYCEFY-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1705677089 AWGCSQMTOLNHBV-GOSISDBHSA-N 421.548 1.306 30 10 HDEE C=CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(C)(=O)=O)CC1 1705783299 AXFSXXJAAHJNLW-UHFFFAOYSA-N 414.535 1.964 30 10 HDEE C=CCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893308 BPAMJUIPWXTUCZ-RTBURBONSA-N 410.540 1.520 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](C)O[C@H](C)C1 1705896803 YTWIGKKFKUNXRY-OKILXGFUSA-N 400.439 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705900341 ZMCQXMNXUSTFCM-OAHLLOKOSA-N 418.523 1.046 30 10 HDEE Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1707502335 FTDRFHOOJPGIRU-GOSISDBHSA-N 405.462 1.048 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1 1710893328 JVOZRBXLRLUYIL-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE COCC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712257331 BQRULFJHNWVKPU-HTXNQAPBSA-N 402.499 1.791 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)c1 1712878456 FJZKHQUYAMQEDI-HXUWFJFHSA-N 421.505 1.658 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722276035 GPFQCJJXAYLXDZ-DNVCBOLYSA-N 410.540 1.355 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCN1CCOCC1 1722334547 CPQHQDUGGTYXLQ-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C#CCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722339135 QIXNFTSRKJCJNW-NHCUHLMSSA-N 401.511 1.591 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722368989 XMNOLVIFJYNXIU-SJORKVTESA-N 404.492 1.440 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CC 1722382729 JMDVEDIKDMHZQQ-QFIPXVFZSA-N 407.522 1.686 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1722393276 YGXUDENXEHHKAZ-UHFFFAOYSA-N 419.938 1.953 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722396644 BSTPZAVZRLIMFF-UHFFFAOYSA-N 411.531 1.899 30 10 HDEE C=C(Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1722541580 OXEDAUVPCKVCDX-QZTJIDSGSA-N 400.479 1.888 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1729724936 XZLQBDHAUQEOEO-MAUKXSAKSA-N 412.494 1.726 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1730225545 AYKQLLUXUFSZIS-FQEVSTJZSA-N 414.441 1.254 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1740533109 OUFNPLDFEVYEMW-JKSUJKDBSA-N 410.588 1.468 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740682283 PVISVYUAHACIJN-MRXNPFEDSA-N 421.523 1.214 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740925942 SXTDVGMKHVGTHN-QFBILLFUSA-N 410.540 1.543 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1740941168 DDYRIOCTQMLYAC-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1740950246 YICUBWKZMKFDAZ-CRAIPNDOSA-N 400.545 1.764 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC#N 1747432854 GHIRGOXXOFXVHV-OAHLLOKOSA-N 415.523 1.885 30 10 HDEE CN(C)c1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1747570114 VNCICNSDWKSWRD-GOSISDBHSA-N 404.478 1.773 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1747860392 OFIJAQMCCDNUHX-WBVHZDCISA-N 423.477 1.278 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@@]1(O)CCN(C)C1 1748779961 ZMKKFPDDRSSOJY-GOSISDBHSA-N 422.302 1.983 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748812006 OFEOUGKTURMNMT-PXNSSMCTSA-N 417.535 1.518 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748817182 GJDUHSCFRAOJPZ-DLBZAZTESA-N 420.560 1.713 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1748930717 WLPXYRLCACQYQD-UHFFFAOYSA-N 407.478 1.548 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1749064874 MGTSXNBDJJGCIS-DYESRHJHSA-N 414.554 1.457 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC[C@H]1C 1749221317 JPUXYEFHKBSSCT-SZVBFZGTSA-N 424.505 1.869 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1749234238 CBIDXRPVDGRPQK-OAHLLOKOSA-N 416.507 1.591 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)cc2C1 1749650061 IETSLDZCXGECBU-UHFFFAOYSA-N 416.913 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749664005 DGFOCUFVVPMMJM-HXUWFJFHSA-N 414.897 1.617 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1749680179 GCWVQGHTLKWMBY-HNNXBMFYSA-N 414.514 1.039 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cnn(C)c2)C1 1749693563 KORDZXMNXMXXKC-SFHVURJKSA-N 413.526 1.662 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760151634 JAZPXPMOSXKEPR-UHFFFAOYSA-N 421.505 1.025 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1NC(=O)CC1(C)C 1760208936 OSYDWOKTEMCGSW-KRWDZBQOSA-N 412.538 1.574 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760273303 OHVWFIVGDPUQGV-JXFKEZNVSA-N 419.551 1.265 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCCC1 1760329747 JNNZCICXEMQTTN-CQSZACIVSA-N 412.560 1.336 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1760355705 SRKAFDWDZCVJCW-SFHVURJKSA-N 404.515 1.902 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1760514875 NNESENURCDSRDT-HZPDHXFCSA-N 418.542 1.456 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1760551685 ONCRGSINCRNSMD-OAHLLOKOSA-N 401.492 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCOC1 1760552140 DEPRXGWWYILXTD-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1760617517 LIVCNLDBFAMBLK-INIZCTEOSA-N 422.493 1.710 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1761359882 BQVNGMLMMHVALF-VQIMIIECSA-N 423.521 1.852 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1765921344 DEYCFTIEHBKZGJ-LVCYWYKZSA-N 418.542 1.391 30 10 HDEE COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1769018004 CPFOCHRXCFLSSX-OAQYLSRUSA-N 409.494 1.982 30 10 HDEE Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)n1 1769083867 HNGNGAPFNRTARN-INIZCTEOSA-N 407.482 1.640 30 10 HDEE CO[C@](C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CC1 1769540256 HXYPGDPSJRXIGK-DNVCBOLYSA-N 407.540 1.735 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCn3nc(-c4cccnc4)ccc3=O)CC2)cc1 1848959340 PUHQWEBSPQXWDE-UHFFFAOYSA-N 414.469 1.916 30 10 HDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCN(C)C1=O 1848977571 TVKAYXZJLPOOSR-MSOLQXFVSA-N 421.563 1.832 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)CC2 1849232975 RRYQHFMKQBDNAE-MRXNPFEDSA-N 403.439 1.158 30 10 HDEE N#CCc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 1851440566 PYCOEVZKHRQCQK-UHFFFAOYSA-N 414.487 1.311 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N(C)CC(=O)N2CCOCC2)c2ccccc21 1851900093 AHYAMJOQZDFOJW-UHFFFAOYSA-N 400.479 1.391 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)n1 1851995750 LHTROCZJIPWFNI-UHFFFAOYSA-N 418.457 1.116 30 10 HDEE CS(=O)(=O)N1C[C@H](C(=O)NCC#CCN2CCCC2)Oc2ccc(Cl)cc21 1852655456 MUDLSUQNDSZVSR-QGZVFWFLSA-N 411.911 1.082 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccncc3)cnn2C)CC1=O 1852762806 QIAOSSKBNVAVFO-MRXNPFEDSA-N 420.477 1.403 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3c(OC)nc(C)c(Cl)c3C)C(=O)C2)C1 1853610405 DVDADVJRCAXITL-HNNXBMFYSA-N 406.914 1.905 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H](OC)[C@H](F)C3)ccc21 1853626701 DZBUIZUKHDIZCR-WBVHZDCISA-N 410.467 1.816 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C(=O)C2)C1 1853660544 XMDDGUUAYOUPNV-OAHLLOKOSA-N 403.479 1.257 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(OCC(=O)C4CC4)cc3)C(=O)C2)C1 1853729361 NOIRVJLGORAGKD-IBGZPJMESA-N 411.502 1.589 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(C)nn2C(C)C)C1=O 1853789801 OJKMYWUWWQPZFG-IRXDYDNUSA-N 401.511 1.622 30 10 HDEE COc1cc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)ccn1 1854197733 YOBFBPDXWLWUCM-KRWDZBQOSA-N 407.430 1.251 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cccc(-n3cnnn3)c2)C(=O)C12CCCC2 1854505557 GRMAXFJDIAQTSY-INIZCTEOSA-N 407.478 1.952 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855312750 XJCYBRPTCLKCFD-FUHWJXTLSA-N 409.552 1.382 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)C(=O)C1 1855395936 HEFMGLQJUNCPQM-IRXDYDNUSA-N 419.547 1.824 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCCC[C@@H](N(C)CCC#N)C2=O)cc1 1856389216 NLQJXGNZRXTGHF-GOSISDBHSA-N 421.519 1.612 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1856544721 RQTSWJKHMOEQMM-DLBZAZTESA-N 416.547 1.915 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4ccc(F)cc4C3)CCC2=O)CC1=O 1857068049 LPZNSOYNLNJXSR-APWZRJJASA-N 413.493 1.984 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C1)CC2 1857213555 OWXOZPYMYPPRKD-ZBFHGGJFSA-N 412.469 1.053 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CCn3ccnn3)C3(CCCCC3)C2=O)cc1 1857502956 REBKBCPPHLKZEV-UHFFFAOYSA-N 406.490 1.766 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 1858965050 KLORJHFXYFRVAZ-UHFFFAOYSA-N 416.411 1.393 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1861531913 ABMLTNTUPVJVTL-SFHVURJKSA-N 419.478 1.841 30 10 HDEE C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869927849 FVNXTCOQUWIBKR-CXAGYDPISA-N 416.503 1.238 30 10 HDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869929714 KWIFWAMDEJUMRA-GOSISDBHSA-N 415.515 1.915 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1c(SC)nncc1=O 1873498207 VSTCSERMNRTPRF-FBCYGCLPSA-N 403.420 1.528 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)n1 1889393344 DASFFHBAYKCRMW-UHFFFAOYSA-N 406.490 1.764 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1890523012 GBUCHXNBVAYYRL-RDJZCZTQSA-N 420.425 1.715 30 10 HDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC[C@](F)(C(N)=O)C2)CC1 1890804376 CYMOECSTIWFINS-LJQANCHMSA-N 417.466 1.917 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)[C@H]2OCC(=O)N(C(C)C)[C@H]2c2ccc(OC)cc2)C1 1890964230 SRZNSHWQIAWSHO-GIVPXCGWSA-N 400.475 1.623 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@H]2C#N)CCN(Cc2ccccc2)C1 1985193642 FSCWGUZDZVNUFC-GCJKJVERSA-N 414.506 1.907 30 10 HDEE C=C(CNC(=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12)B1OC(C)(C)C(C)(C)O1 1991967306 YBWULSGKFWBWAB-RRFJBIMHSA-N 408.304 1.925 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CCC1 2054408889 WQNWGLAVHPHWPH-IAGOWNOFSA-N 407.492 1.684 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)N1CC[C@H](C#N)C1)C(F)(F)F 2118164580 ZLJMPTFIKBWJNS-MNOVXSKESA-N 400.423 1.512 30 10 HDEE COC[C@]1(CNS(=O)(=O)CC2(C#N)CC2)CCCN(C(=O)OC(C)(C)C)C1 2174776893 BILFDFSNAIKTJD-SFHVURJKSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@@H]1NS(=O)(=O)CC1(C#N)CCCCC1 2174785304 XKBGNRGQELQPRK-CABCVRRESA-N 401.529 1.920 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174786562 KYTNTUJEFVTGIH-HOTGVXAUSA-N 400.545 1.682 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2174787401 TUTTZDYVQVHGDC-NEPJUHHUSA-N 414.450 1.760 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180093916 ZLXUVKHUZQFSBT-STQMWFEESA-N 406.451 1.280 30 10 HDEE CC(C)N(CCC#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197738675 FCHBMZLDXUFIKR-AWEZNQCLSA-N 401.529 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2212759227 JTHBIAJSEXIYGQ-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446247 GIMOYBITGWRJNT-KDOFPFPSSA-N 401.529 1.608 30 10 HDEE CO[C@H]1CC[C@@H]1CS(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2239419742 BDRGNDBQNITTBE-YPMHNXCESA-N 402.347 1.287 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384797 WMGCSUYAVDVBOU-CMDGGOBGSA-N 406.292 1.520 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCNC(=O)OC(C)(C)C 2243421307 INKZDTISJNXFRM-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247839982 GERMEQCRWNAPID-IMRBUKKESA-N 418.303 1.304 30 10 HDEE CON(CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2247914282 IPDSCSPERKGKFN-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]1CCO2 2247931073 LAMLIDADASJVNR-QVKFZJNVSA-N 420.315 1.763 30 10 HDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248433945 SQFPHWPKDJYMGB-UHFFFAOYSA-N 419.291 1.204 30 10 HDEE Cn1cc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)nc1B1OC(C)(C)C(C)(C)O1 2255821464 FSXWICYUUWWMFD-IAGOWNOFSA-N 422.338 1.580 30 10 HDEE C=CCN(CC1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258158021 XSCJJQYXBJEYBP-QGZVFWFLSA-N 410.492 1.682 30 10 HDEE C#CCCN(C1CCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270525787 DHLPWBDZNHSZTL-SFHVURJKSA-N 422.503 1.662 30 10 HDEE C=CCCC1(C(=O)NCc2nn(C)c(Cl)c2I)CNC1 2281052491 DFBKMJMBQFLPIB-UHFFFAOYSA-N 408.671 1.850 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281959522 NSJJOXCWEYGPFR-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE CNC1CN(S(=O)(=O)c2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282489912 GODKYVGFIYZSEO-UHFFFAOYSA-N 421.155 1.885 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3CC(CO)C3)ccc2Cl)OC1(C)C 2282497400 PCXZMEBOYGUSSU-UHFFFAOYSA-N 401.721 1.688 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CCNC2)c1B1OC(C)(C)C(C)(C)O1 2282507918 NYSCEEOJXHWCLA-ZDUSSCGKSA-N 400.375 1.552 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282666228 GEXLESCWGLHINU-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)NCCCOCCO)sc1B1OC(C)(C)C(C)(C)O1 2282837226 SNAFXZDSHYJBCC-UHFFFAOYSA-N 405.347 1.033 30 10 HDEE CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848223 KUQMYYHILTVFOV-QWHCGFSZSA-N 401.359 1.971 30 10 HDEE CC1(C)[C@@H](O)C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882131 HLRCZZAQDHZGNK-FZMZJTMJSA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(CCC(=O)O)C3)s2)OC1(C)C 2284405760 PEZJSSKFDBIGNO-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(C(=O)O)C3)s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c1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1 11658813 PMQWIWIGFXTUBN-UHFFFAOYSA-N 423.498 1.900 30 10 HDEE Cn1nc(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c2ccccc2c1=O 16150930 SBWTWLWRXNJADD-NRFANRHFSA-N 401.470 1.885 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 27902515 GYRPRZAOUFWUIF-KRWDZBQOSA-N 416.522 1.499 30 10 HDEE Cc1cccc(/N=C(\N)NC2=N[C@@H](CC(=O)Nc3ccc4c(c3)OCO4)C(O)=N2)c1 40376185 GZFZESZQKMRZDM-AWEZNQCLSA-N 408.418 1.983 30 10 HDEE CCOc1c(OC)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1OC 169883453 SGWXSFUUPSZOIQ-NVMNQCDNSA-N 408.436 1.242 30 10 HDEE COc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 254843344 NGLWBPGZSCMPHT-JSGCOSHPSA-N 412.489 1.552 30 10 HDEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 410073774 UQELIRMJSAMUHX-QGZVFWFLSA-N 424.519 1.317 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCc1ccc(Br)cc1OC 410398007 NIGDNPXLWBLONS-UHFFFAOYSA-N 406.302 1.654 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 429454225 NRVFQSVCEDGHPU-IJEWVQPXSA-N 424.461 1.647 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 432442660 PIFAVTYMCWPEBW-MGPUTAFESA-N 403.435 1.627 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)ccc1Cl 434791829 FKZWWQDIHDUSGG-LJQANCHMSA-N 403.870 1.569 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CSCN1C(=O)C1CCCC1 465470969 IOOJQHNFMCTGMO-WMLDXEAASA-N 414.535 1.477 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 471622898 UVNMMPAILXQLFN-MRXNPFEDSA-N 408.296 1.199 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 497580585 GKQSRSQQOAMHQK-INIZCTEOSA-N 423.519 1.931 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(F)F)[C@H](CC)C2)c1 497978332 GNWXFEHUPMEQPH-OAHLLOKOSA-N 401.479 1.952 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3ccsc23)CC1 508997809 KMQIDEHMVAUJNB-HNNXBMFYSA-N 413.507 1.883 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cscn3)c2=O)cn1 523864954 LGYDGROTIHHMQE-UHFFFAOYSA-N 411.512 1.444 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(c2ccnc(N(C)C)n2)CC1 533532478 MGNMQEBXYBYDLB-SFHVURJKSA-N 407.522 2.000 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1cc(I)cc(C(=O)OC)c1 540816862 PPMADMKSAUOWBX-UHFFFAOYSA-N 417.203 1.502 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)n1 546220738 UUBDKGAXJIOPHM-MRXNPFEDSA-N 418.457 1.513 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nc3cc(Cl)ccc3n2C)CC1 547674354 ANHFQNACMJVAPC-UHFFFAOYSA-N 404.902 1.356 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 559004265 ULHHPNZUMRUBGU-ZWKOTPCHSA-N 421.542 1.653 30 10 HDEE N#Cc1cc2c(nc1N1CCC(Cn3nc(-n4cccn4)ccc3=O)CC1)CCOC2 585501960 OELBLRPNCJIKNN-UHFFFAOYSA-N 417.473 1.685 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CCN(c3ccc(C(=O)O)cn3)CC2)cc1C#N 589974496 KYYDOPIWELMMHZ-UHFFFAOYSA-N 401.448 1.302 30 10 HDEE N#Cc1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)c(F)c1 609232146 ZIGKAHHCZKSNGE-UHFFFAOYSA-N 423.491 1.773 30 10 HDEE Cc1oc(NC(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(C#N)c1C 613784900 ORELYENZSKINDT-UHFFFAOYSA-N 414.487 1.783 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccccc2OCC#N)CC1 727743244 SIKMOISNIZDXIS-UHFFFAOYSA-N 414.487 1.459 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 732663784 GMRKQSDNQXFWOH-CQSZACIVSA-N 420.520 1.095 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CCN1C1CC1 732664235 FWTRBYSPVUFKFQ-QFBILLFUSA-N 406.490 1.614 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CCN1C1CC1 732675483 UYJKOLUUDADHGE-FQEVSTJZSA-N 413.522 1.279 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)cc2)CC1 735864803 FRXJZZGWIYOWLF-HDICACEKSA-N 415.538 1.752 30 10 HDEE COC(=O)[C@@H](OC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 740213003 CBTGEJNIYQWOMC-SFHVURJKSA-N 402.428 1.636 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745478762 NKZSRFBXUMVUEX-SRABZTEZSA-N 404.806 1.448 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 746247742 OGRDTMZWYRMUAQ-YYZBOFOMSA-N 418.444 1.962 30 10 HDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1ccccc1I 751840622 SBHTWGPSJMEMHA-UHFFFAOYSA-N 415.212 1.620 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 758644568 MQZNARZEGJTIKV-HOCLYGCPSA-N 406.508 1.716 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1 761033777 IGRIVHJRTUAJRE-UHFFFAOYSA-N 402.426 1.528 30 10 HDEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 775028395 DDCIAEFTJKMIIH-HLAUDOPJSA-N 405.476 1.190 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 780293137 RHCKKFHFCYFSRT-HUUCEWRRSA-N 414.487 1.827 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CCC2CS(=O)(=O)C2)C1=O 786682894 MANYCBQJVWFMHE-OAHLLOKOSA-N 423.560 1.806 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CN1CCc2cc(OC)c(OC)cc2C1 786800264 ISJKDKCUWGOACQ-ZDUSSCGKSA-N 405.451 1.005 30 10 HDEE N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@@H](CN2CCCCCC2)C1 787786921 FKPFYCJOOUQOEP-SFHVURJKSA-N 412.538 1.596 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)n1 788695383 KTCRAYMKUAHRAD-UHFFFAOYSA-N 410.427 1.709 30 10 HDEE C=CC[C@@]1(C(=O)NCCN2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790506429 PUWAUWFJUYBSRH-IBGZPJMESA-N 415.556 1.179 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C2CC(N3CCCCC3)C2)cn1 794441071 LWEGVSLPWMBWAO-JCYILVPMSA-N 418.567 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 795323824 KFOBZCJENVMTAS-UHFFFAOYSA-N 423.491 1.779 30 10 HDEE COCCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 802485253 JOJBBPNHONIBDG-IBGZPJMESA-N 402.430 1.793 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)OCc2ccnc(C#N)c2)(S(C)(=O)=O)CC1 803967418 FUXYFGBXEICOTM-UHFFFAOYSA-N 423.491 1.811 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 805224216 SWEUINXWIMKJCZ-UHFFFAOYSA-N 423.491 1.219 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(S(=O)(=O)NC)cc1)c1ccc(Cl)cc1 810470514 GVTVOYXTPVBPIJ-MRXNPFEDSA-N 405.863 1.677 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 812535688 CQYZLBMEMSUVOE-CQSZACIVSA-N 414.277 1.498 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H](c2cnn(C)c2)C1 849500541 YIXPGOPHDNEFSN-HKUYNNGSSA-N 410.497 1.815 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849500550 YIXPGOPHDNEFSN-PKOBYXMFSA-N 410.497 1.815 30 10 HDEE N#CC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCCC1 918782882 VVHJSQNAIOCNDY-CQSZACIVSA-N 403.460 1.576 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2ccccn2)n1N 1084143955 DBDDYXDNYHWTCJ-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(F)cc1)N(C)C)c1cc[nH]n1 1136319207 FJOLTICWZQNVSB-MRXNPFEDSA-N 405.430 1.252 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1139477840 YKXGWENLQQEENS-UHFFFAOYSA-N 405.300 1.953 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1164414742 UNFVCKLNYNTDKR-YJYMSZOUSA-N 400.472 1.957 30 10 HDEE C#CC1(O)CN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)C1 1179982099 CBJJTBYZNXJYTB-UHFFFAOYSA-N 418.902 1.737 30 10 HDEE CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1188183524 GBKMKQIGXRMEIY-SNVBAGLBSA-N 404.261 1.749 30 10 HDEE N#Cc1sccc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1192483553 AHNFBNHMNFZACG-UHFFFAOYSA-N 404.473 1.462 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1197201104 ANKIZCJZIKGSLT-GJZGRUSLSA-N 405.524 1.649 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)CC3(CCOCC3)C2)cc1 1214688143 WWMCVEAJHTWFCF-QGZVFWFLSA-N 423.535 1.888 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C)c(C#N)c2)C1 1248579871 VZJWFCRHHVCXJE-SFHVURJKSA-N 408.524 1.449 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1254285104 NYOAIELKJDKXEN-IBGZPJMESA-N 416.503 1.384 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CN1CCCC2(CC2)S1(=O)=O 1264988342 JIFYYLACVVTGMU-UHFFFAOYSA-N 404.536 1.407 30 10 HDEE N#CC1(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCSCC1 1265302876 UZQRLKDYSXAESR-UHFFFAOYSA-N 401.554 1.113 30 10 HDEE C=C(CC)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1275909783 ADDPSEWKBYWQDB-UHFFFAOYSA-N 423.535 1.240 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1286304076 UNJWUBAQIJJPLR-INIZCTEOSA-N 418.505 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1286304800 JOSJYMGMUSTGOL-BZUAXINKSA-N 411.572 1.594 30 10 HDEE C#CCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286341094 BNMDQXQEMCHKHH-OWCLPIDISA-N 423.539 1.126 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCC#C)CC1 1286356395 OXOHNOKHXRATTJ-UHFFFAOYSA-N 407.522 1.519 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392789 NUHXJWIYNTWWBF-QZTJIDSGSA-N 413.547 1.937 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1286400122 WWFBWGDKYNTSOY-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1286424507 WYLCIRSATSYMHJ-UHFFFAOYSA-N 412.515 1.348 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CCOCC2)CC1 1286485812 ZAMYSQWVUPRLHX-PMACEKPBSA-N 417.554 1.574 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@@H]1CC 1286496114 NLWKFLCZBGGELO-HNNXBMFYSA-N 406.556 1.278 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1286788935 KIJZLEZCPXSJIZ-IBGZPJMESA-N 410.522 1.962 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(CC)C(=O)C1 1286789543 UEUJBWOAKFTUMB-UHFFFAOYSA-N 410.522 1.538 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)cs1 1290417040 FCRJEMKMRRLAPF-GOSISDBHSA-N 405.503 1.944 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)n(CC(F)(F)F)n2)c1 1299627692 BQKWCEKOMLIMMV-UHFFFAOYSA-N 400.382 1.918 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1300314592 GVPYXILDTLSIBK-OAHLLOKOSA-N 417.477 1.128 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 1300392808 KOXWTTNUVAKNEI-CVDCTZTESA-N 418.453 1.444 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCOCC1(C)C 1300673378 KCWMEQJQMZWMJZ-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C)c2)CC1 1300683992 VRLDZLYNOYLJLM-KRWDZBQOSA-N 416.551 1.000 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300754922 YKKZKAPIWUXKNI-MJGOQNOKSA-N 412.563 1.863 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1 1300780021 KOEFKACDAQTIDA-VQIMIIECSA-N 422.599 1.755 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)nc1 1300925678 AEDWLYBEGXUXJT-WMZOPIPTSA-N 414.510 1.947 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncn(C)n1 1301422222 CPMOTKXWJVEGKE-UHFFFAOYSA-N 421.465 1.410 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1301478572 NCHPSWPZJLSXJO-KRWDZBQOSA-N 400.531 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCSC 1301497444 XALATKGJOHULAE-UHFFFAOYSA-N 406.512 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1301554187 YQZSOVWOHOBSNG-HOTGVXAUSA-N 420.539 1.336 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCN(C)C(=O)C1 1301587115 MRCNCCOHUVOHDQ-UHFFFAOYSA-N 417.535 1.057 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1301951540 AYMUORDZCNFDTC-ZIAGYGMSSA-N 408.503 1.866 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1303367577 XDQWHGUCIDMIIK-JVPBZIDWSA-N 406.462 1.196 30 10 HDEE Cc1ccc(C(=O)NCC2(S(N)(=O)=O)CCC2)cc1B1OC(C)(C)C(C)(C)O1 1303705597 VOBMYYQEIZINLE-UHFFFAOYSA-N 408.329 1.235 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)n1 1304750304 BVBAAXYKYOSISG-DYESRHJHSA-N 413.526 1.810 30 10 HDEE CCc1nnc(N(C)Cc2scnc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1306076672 BHQMKHQNBZNMTN-MSUUIHNZSA-N 401.496 1.768 30 10 HDEE N#C[C@@]12CN(C(=O)NCC(F)(F)c3cc(F)cc(F)c3)C[C@H]1CS(=O)(=O)C2 1313230086 VCZMTXFCJXQHOF-NHYWBVRUSA-N 405.373 1.636 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1315047344 AHELGHODSNXILI-UHFFFAOYSA-N 404.478 1.855 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1320349580 AEZQEVGLIUBGGK-RDJZCZTQSA-N 424.519 1.032 30 10 HDEE COC(=O)[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1330305640 FTQZYCXGDAWYHR-XJKSGUPXSA-N 420.516 1.670 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCOC2)n1 1332146094 VHBOQMKRXLCWPA-HKUYNNGSSA-N 410.526 1.353 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1358869626 QDLGSNPLULRXHW-OAHLLOKOSA-N 404.478 1.805 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1358916060 YTORANFFQBKDBL-QGZVFWFLSA-N 412.538 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1358946938 NNOAZHDJSCNWQB-INIZCTEOSA-N 422.489 1.550 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1358948594 GCWNYGFOKNSTSQ-HNNXBMFYSA-N 404.492 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1358973887 JMGPMLKNDIRZPE-UHFFFAOYSA-N 402.462 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnnn1CC1CC1 1358989234 UVCORPSWPPNHFS-UHFFFAOYSA-N 421.896 1.901 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1359005183 YFDXOTMREWOKAB-UHFFFAOYSA-N 403.494 1.642 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(O)cc1 1359018498 SFGFAHNTUUENPQ-UHFFFAOYSA-N 406.446 1.765 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ncc(CC)s2)CC1 1359035992 KAIPWHYHMJTTMG-MRXNPFEDSA-N 400.552 1.799 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C2CC2)CC1 1359038129 LGEQOEYPWYOCJG-UHFFFAOYSA-N 406.534 1.345 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnccn1 1359048546 UURVPNBLVQZREN-UHFFFAOYSA-N 408.491 1.718 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1359076870 NUXSYHQGQFKMGK-MNOVXSKESA-N 408.322 1.022 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1359230158 IBKSCDMVRRSXOF-KRWDZBQOSA-N 413.526 1.904 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1359246996 PULQLNRPOFZTDM-KXBFYZLASA-N 410.540 1.520 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)OC)CC1 1359302084 WJDPTZABXKTZFZ-UHFFFAOYSA-N 415.469 1.700 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)C1 1359319246 WANJUMLESDNOMS-AEFFLSMTSA-N 401.515 1.181 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359331165 PDDNHFIUGWIQRT-INIZCTEOSA-N 422.555 1.031 30 10 HDEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(F)cc1 1436645077 TVWLMVRGQSALCP-KRWDZBQOSA-N 423.487 1.748 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 1437438450 CGXAQZQSNMJDSB-NRFANRHFSA-N 417.437 1.396 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1438148677 QNDNNDXGYNYDNB-HOTGVXAUSA-N 420.487 1.168 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1 1441561415 BUHHKXLQCOVAPO-VQTJNVASSA-N 413.499 1.903 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1443910055 JVHMLQWXNLWAIH-OLZOCXBDSA-N 409.936 1.563 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 1455115801 RWYOWCHPMCRNKH-UHFFFAOYSA-N 417.531 1.140 30 10 HDEE COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1457772612 GNDNQNCJGPGOSB-GJZGRUSLSA-N 407.471 1.518 30 10 HDEE CC(C)N(C)C(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1463812568 SMYFUDBBNAFVMZ-OAHLLOKOSA-N 413.496 1.505 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1c(F)cccc1OC(F)F)c1cc[nH]n1 1467716550 OVPBDZLLXUBHEU-UHFFFAOYSA-N 414.340 1.750 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)n3)CC2)cc1 1468274168 FOOQDXUYJVRMFU-UHFFFAOYSA-N 402.451 1.095 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cnn(C)c3)c3noc(C)n3)cc2C1=O 1468483269 NNIRQPBHEGBANT-MRXNPFEDSA-N 406.402 1.413 30 10 HDEE C#CCN(C(=O)N[C@H]1CC(=O)N(C2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1469236360 PKKQMEHPJRGVSV-HNNXBMFYSA-N 404.511 1.794 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1470032152 FEROXRPEMPYLQO-QZTJIDSGSA-N 412.494 1.152 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1470684793 DQGOSCUCSHMFSD-IBGZPJMESA-N 412.490 1.610 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1471717804 GCSNBCFAOPAYOV-MAUKXSAKSA-N 417.510 1.466 30 10 HDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NCCn3cnc(C#N)n3)ccc21 1475276586 IFJFAEGVAQLGGP-UHFFFAOYSA-N 402.480 1.162 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(Br)c2)CC1 1476224796 RAEXZEDFMQYZQA-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2ccc(F)cc2F)on1)[C@@H]1CCS(=O)(=O)C1 1479207053 ONKUXSDNGMQYQM-CQSZACIVSA-N 409.414 1.952 30 10 HDEE CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1499134541 HTDDWHVYBIHOOZ-INIZCTEOSA-N 411.510 1.486 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1501166856 FBVJCTROWQZFJF-HNAYVOBHSA-N 422.555 1.227 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1503056421 BGFJHDPCYFICLX-IBGZPJMESA-N 421.498 1.872 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1503810315 FERHTCZPLRWUBV-BTYIYWSLSA-N 410.478 1.337 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1504598994 CNFWFUKPLGQUGY-GOSISDBHSA-N 422.468 1.918 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1504822509 XZKSUDWUBNPJLC-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1507591024 IEZFCNPSCBCBLW-SFHVURJKSA-N 416.551 1.707 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(S(C)(=O)=O)CC1 1507602796 GZHSJHFHFVLTFT-UHFFFAOYSA-N 412.313 1.682 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507622805 LZZJDYDBTBSJLR-UZLBHIALSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1507670338 IFEDAMCSXCSJLO-UHFFFAOYSA-N 421.480 1.645 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)C(C)C 1507702749 NKZZREKRYINMQG-FQEVSTJZSA-N 400.483 1.418 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCSC1 1507708032 GBKGIHVMBLUKGZ-INIZCTEOSA-N 424.534 1.760 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507722770 ICZUUQQEVAUBSE-NHCUHLMSSA-N 420.517 1.623 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1507753158 KEJIETVBDJEJLK-MCPYQZEQSA-N 403.552 1.364 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1507783254 UPOSBAMGEYMXND-AAEUAGOBSA-N 406.288 1.302 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC)C1CC1 1507987730 AVMLXUXMZQLRHJ-UHFFFAOYSA-N 403.508 1.640 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2c(CC)nn(C)c2OC)C1 1508117082 KPVLFCORIHQESE-OAHLLOKOSA-N 424.509 1.869 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1508211524 CLOBYNAQHMWACW-BHYGNILZSA-N 422.555 1.035 30 10 HDEE Cc1c(CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1510483501 ONSYKMTUFUAXDO-CZIZESTLSA-N 424.509 1.750 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1514214693 SQXHWNONTMSEFS-SNAWJCMRSA-N 424.505 1.990 30 10 HDEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514538617 ALCWIXCONANNBN-IRXDYDNUSA-N 401.515 1.222 30 10 HDEE COCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1519067571 NPBQCVTXZSNWHI-FQEVSTJZSA-N 411.441 1.670 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCO[C@@H]1C 1519166977 LUHDFYADLZYVJE-AUUYWEPGSA-N 420.901 1.900 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)[C@@H](C#N)C1 1525126777 GLKVWSAPKBMNRE-ZDUSSCGKSA-N 401.389 1.959 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCOC2CCSCC2)ccc1F 1539122380 ZBKXVJREBGKZLW-UHFFFAOYSA-N 402.513 1.932 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)OC(C)(C)C 1539200630 MREJNFAMAWGQNN-HOTGVXAUSA-N 407.515 1.986 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1539220319 IMPMOJGOBHARLG-KRWDZBQOSA-N 405.568 1.657 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNC(=O)C(C)C 1539628271 OVUCCSWSMNEZKO-BQFCYCMXSA-N 418.542 1.419 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1(S(C)(=O)=O)CC1 1539851751 XHHVEGMQTBMDMA-WCQYABFASA-N 409.895 1.646 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCOC(C)(C)C1 1540875598 QVPRJIHKSRJQFW-UHFFFAOYSA-N 403.458 1.914 30 10 HDEE C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)NC(N)=O 1542096308 IJSGIXRILOVDRY-ACIHENLCSA-N 409.512 1.665 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3sccc3CC#N)CC2)CC1 1542905726 CIQYEFOOBRTREZ-UHFFFAOYSA-N 403.552 1.125 30 10 HDEE N#CC1(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCOCC1 1544716064 KVXQLRKIEAXONI-UHFFFAOYSA-N 405.520 1.939 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H](C#N)c2cccc(Br)c2)c(=O)nc1O 1545824095 KZIXPENVLTUCIW-ZDUSSCGKSA-N 402.208 1.354 30 10 HDEE COC[C@@]1(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 1546286695 NXTWLHBTOSQEQD-DYESRHJHSA-N 424.542 1.331 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546601571 CNDSLCOKUPDOSR-WSQOEDGESA-N 414.510 1.933 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1547883051 DIRHEDDTONENCA-FQEVSTJZSA-N 402.499 1.196 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1554242575 QXQGNWKILFHUNU-UONOGXRCSA-N 405.480 1.166 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1nnnn1CC1CC1 1555060528 DFGNBVNBBKRMSX-OAHLLOKOSA-N 421.509 1.918 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](OC)c2ccccc2Br)CC1 1556504223 OZEIXYLSSMZFDX-KRWDZBQOSA-N 408.296 1.030 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)cc1 1558305197 YWJSMRYKTLMYRV-KRWDZBQOSA-N 421.519 1.319 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3nc(C(N)=O)cs3)C2)C1 1558936583 NNDHWAIOUSSBAD-PNSNSFJUSA-N 405.480 1.967 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1cc(F)ccc1Br)C(=O)OC 1561511920 HJHPOPLVZNTJPA-CYBMUJFWSA-N 410.261 1.752 30 10 HDEE CC[C@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(=O)N1CCOCC1 1564232740 HHJVPKXPBLZYBI-KRWDZBQOSA-N 403.458 1.166 30 10 HDEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1564510103 ZCCOWVIRZJRLDV-FTRWYGJKSA-N 403.504 1.695 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(CC#N)cc2)[C@H](C)O)cc1 1570705599 RZHDIHOYEKUHLL-HNAYVOBHSA-N 401.488 1.405 30 10 HDEE C#C[C@@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C1CCOCC1 1586729488 ALXAVUYPTXYGQA-GOSISDBHSA-N 406.442 1.375 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1587562519 QFZRJXSCBJDEFO-HUUCEWRRSA-N 415.523 1.351 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc1OC 1587563849 FYGCQFIZDGELHE-VJHRDOHOSA-N 407.488 1.544 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)CC1 1587870270 YQPUMGIJLHEHGU-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1588030485 WIPKKKYFSWCIQQ-HNNXBMFYSA-N 400.570 1.144 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C2CC2)N(C)C)CC1 1588732864 IFECJYWXPPIWPT-IBGZPJMESA-N 415.586 1.292 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588811329 GOMGHSKZLVCFES-IAGOWNOFSA-N 400.527 1.190 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCCCC2)C1 1595789525 VKTFVIPCXPKUPN-MRXNPFEDSA-N 421.567 1.991 30 10 HDEE C#CCN1CCC(NC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1596609815 HMYVLGPAHAUBTP-NRFANRHFSA-N 404.511 1.746 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(N)=O)c1 1613987425 NCNKAQAATSOEIM-UHFFFAOYSA-N 403.446 1.523 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CC1 1615889018 QNPUHMPJRUACBP-ZWKOTPCHSA-N 416.574 1.243 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@@]21C 1616048900 OSGFHEYZWQHGNR-YUSFRPNYSA-N 418.461 1.997 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4cn[nH]c4)cn3)CC2)cc1 1624062475 TZUVCWUFPKYVDZ-UHFFFAOYSA-N 422.470 1.490 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1625873307 RPYQREWSUAHCQH-AWEZNQCLSA-N 423.963 1.905 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1627709043 HQIWCNXGUJLOKR-ZFWWWQNUSA-N 419.482 1.505 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 1632961327 WCBVYIZOXFYAGD-UHFFFAOYSA-N 414.896 1.282 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)c1 1633708508 RNULUEMVIJVJAC-HXUWFJFHSA-N 415.515 1.803 30 10 HDEE N#CC1(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 1634633590 YFOHQOGIUANTCZ-UHFFFAOYSA-N 418.878 1.377 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3nc(C(F)(F)F)cc3C2)cc1 1636546637 CYESVDOTBKQNRC-UHFFFAOYSA-N 413.381 1.094 30 10 HDEE Cc1ccc(Br)cc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1636997626 AZZQSOMHNASPMD-BBRMVZONSA-N 412.309 1.837 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ncon2)cc1B1OC(C)(C)C(C)(C)O1 1637751482 BRUYXNDVFAFYPS-QGZVFWFLSA-N 423.282 1.930 30 10 HDEE N#CCCn1cc(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1639836561 WWOWVQFPBDZAJY-QGZVFWFLSA-N 410.434 1.263 30 10 HDEE C=CCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1640864513 YPFLQXUPHCHMPF-GOEBONIOSA-N 402.447 1.825 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CCN1CCCCCC1)C1CCC1)c1cc[nH]n1 1641873452 BADFYRVSWWJVIQ-UHFFFAOYSA-N 419.526 1.951 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 1642528154 SMGXERJUFIUXHL-UHFFFAOYSA-N 404.517 1.913 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)C[C@@]2(C)CO)n(-c2ccc(F)cc2)c1C 1643891684 DZOLBXYEQBQMPC-UTKZUKDTSA-N 400.454 1.861 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCO[C@](C)(C#N)C1 1647990585 DFSATMGSJDCRON-FUHWJXTLSA-N 411.549 1.536 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc3cccc(OC(F)F)c3s2)CC1 1652162946 XVHKDAAMLOVIJC-UHFFFAOYSA-N 402.448 1.487 30 10 HDEE COC(=O)c1ccccc1N(C)C(=O)Cn1cc(C#N)c(I)n1 1652916469 PZPCAFPMWPXGAH-UHFFFAOYSA-N 424.198 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCOc2ccccc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1654986421 CLWDEWODSNCPBR-SJORKVTESA-N 421.519 1.655 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1657569661 DDPALSKBNXOJRB-LJQANCHMSA-N 410.430 1.664 30 10 HDEE C=CCC[C@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1662023830 JBZVTFPAFMGQFR-MQNRADLISA-N 403.526 1.722 30 10 HDEE Cn1cc(N2CC[C@H](NS(=O)(=O)c3cc(Br)ccc3C#N)C2)cn1 1667423078 CRZNRJDCHQJFPF-ZDUSSCGKSA-N 410.297 1.611 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCn2ncc(I)c2C1 1674888016 NUOHFPFLCKMVLV-NSHDSACASA-N 402.236 1.441 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccco2)c1)[C@H]1CCS(=O)(=O)C1 1676285668 MUQVGHDRYHXZKH-KRWDZBQOSA-N 415.471 1.864 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)cc1 1678644781 FWWPIRYELAOBNK-JOCHJYFZSA-N 411.550 1.854 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)cc21 1680806220 RAVFKEMIPVSQAZ-UHFFFAOYSA-N 411.509 1.497 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1683309492 LYWLYRDAHFLMNW-YOEHRIQHSA-N 413.927 1.947 30 10 HDEE C#C[C@@H](CCC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683684859 ILPFKVIOAWIWPW-KRWDZBQOSA-N 422.551 1.248 30 10 HDEE CC(C)(CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)CS(N)(=O)=O 1683704252 WSXMELAADPVSNZ-UHFFFAOYSA-N 407.540 1.137 30 10 HDEE N#Cc1cn(CCNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c(=O)nc1O 1684647262 BFQQHRQMSLVMOT-GOSISDBHSA-N 410.478 1.174 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1689853522 VBGCARDOHUUGLH-GVDBMIGSSA-N 407.540 1.425 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1689873832 YKWXKTCUFNVZEW-NRFANRHFSA-N 403.527 1.994 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCCCO 1689949343 ZIDGYAOYXDBVNT-UHFFFAOYSA-N 404.540 1.779 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1689962615 LNQCYXBJCZHKBK-RDTXWAMCSA-N 407.396 1.749 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCCCS(C)(=O)=O 1690042065 SHLVXBIYLUOXNQ-UHFFFAOYSA-N 401.536 1.961 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@H]2C(C)C)CC1 1690134968 NEGKIWWASCBTPI-ZWKOTPCHSA-N 412.538 1.697 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cn2)CC1 1690142748 SYGSCFKOYVYCIN-UHFFFAOYSA-N 422.468 1.227 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690148376 FFNDDLOGIJCLNN-QZTJIDSGSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1690154212 KGNCJDHEVMVKRA-MRXNPFEDSA-N 415.567 1.900 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C1CC1 1690190098 LCIONFUHKMGOOS-SPYBWZPUSA-N 408.572 1.363 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1690246570 VQXFRNMZKWEUPM-JYJNAYRXSA-N 410.540 1.387 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1690284683 QPZFIBMQORBDOU-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE Cc1cccnc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1693300291 DMTYUVYIKYDHMJ-OAHLLOKOSA-N 404.434 1.406 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694132824 VZZPUSCNHSDYRO-OSCRUYLVSA-N 415.542 1.848 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCO[C@@H]1CCOC1 1696676164 IXVACJWRWVFITQ-RTBURBONSA-N 424.505 1.933 30 10 HDEE CN(CCCCCO)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1696795251 DZRJCDHYCRGJAA-WUKNDPDISA-N 404.515 1.701 30 10 HDEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cn1 1697458884 HEISUOREQMWRPR-QGZVFWFLSA-N 408.466 1.320 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CC1 1697707548 CEUOPYYNIFKYTD-UHFFFAOYSA-N 424.505 1.538 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1697922426 HAXUZOBPEMIVIK-LPHOPBHVSA-N 416.438 1.370 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1705477931 UGHBNSLDZGUWKG-BBWFWOEESA-N 410.588 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705491678 GRZXUUWOPXITMZ-CRAIPNDOSA-N 402.520 1.833 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CC(=O)N(C)C)c1 1705507171 UEHPFIYNBVXIQX-SFHVURJKSA-N 424.505 1.664 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCc1nc(C)cs1 1705542000 WKCGICGEAMPRJR-CQSZACIVSA-N 410.569 1.746 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1705559422 AMOVXWDHSYHBLF-WMZOPIPTSA-N 405.568 1.513 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1705572133 ROTVIMWGAOMTGK-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705732812 CVWWVHGYCQIFJM-HNNXBMFYSA-N 420.901 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccn1 1705928889 WRUMYRUEZHDLHR-UHFFFAOYSA-N 418.523 1.146 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccco2)C1 1705938294 UHMHGOBKCCXWNW-MRXNPFEDSA-N 410.496 1.586 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccs2)CCOC1 1706679961 NSAOVBRYFCUSHW-KXBFYZLASA-N 418.523 1.747 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1712168017 WKMMOVLOOHCYBR-DLBZAZTESA-N 421.498 1.815 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1722297314 YXLGMXZDPTWRHA-SJORKVTESA-N 407.584 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722396309 XPCYQICRUCSZFL-MRXNPFEDSA-N 400.508 1.018 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722409181 IFHUNXPJDWKOLD-OAHLLOKOSA-N 405.499 1.825 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NCC)CC1 1722435389 HXEPASUCKOYJPC-UHFFFAOYSA-N 419.533 1.734 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1722440040 YZUHFPYBJZVPNQ-UHFFFAOYSA-N 406.534 1.644 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1722451341 JBSGRBJJWUINHA-KBPBESRZSA-N 415.585 1.258 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722627679 MSNACZFEBHZTDH-KRWDZBQOSA-N 416.526 1.271 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722695620 JTTVOYOHJLWWHH-IBGZPJMESA-N 415.885 1.012 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nc(C)no2)C1 1722714663 OAHAUSHOUXHZGR-GJZGRUSLSA-N 401.471 1.335 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722741902 AFWTVTDIYCGULL-QGZVFWFLSA-N 413.551 1.739 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCCO1 1722862925 FUXRXCLHYGGLIY-OWCLPIDISA-N 412.560 1.833 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1723771427 FQSXNXLWPFWNSO-OAHLLOKOSA-N 422.493 1.943 30 10 HDEE COC[C@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)OC 1730467199 GCIYQEJONVKFSW-GJZGRUSLSA-N 401.423 1.064 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1 1731184279 HETQXVUILZMUCT-QGZVFWFLSA-N 405.462 1.591 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740584927 SVLYJHBXJNCZQR-AWEZNQCLSA-N 422.942 1.877 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1740630743 LBIZYCKHFQSREJ-MRXNPFEDSA-N 415.519 1.212 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccccc1 1740678895 VGSBQGYIBLVWSD-JOCHJYFZSA-N 411.506 1.508 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC=C 1740686637 VDCLZURBADIILL-GOSISDBHSA-N 411.462 1.179 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC2CCOCC2)CC1 1740689179 QRSOBDVKFTUIKY-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)OC)C1 1740759415 CGFWZUPEAIGUDE-CVYDXHPNSA-N 417.510 1.600 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1740774245 PDRKHDUMACKQLI-HNNXBMFYSA-N 411.572 1.745 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740862023 IDKISIWKIVIZDG-KRWDZBQOSA-N 423.521 1.943 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740887855 DVGBFNGAQABFGK-LAUBAEHRSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740960430 RHKRNWADOIXYMS-YCRPNKLZSA-N 415.469 1.321 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1740964468 CNAJVHMFRUUPLL-YRNRMSPPSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@@]1(OC(C)C)CCOC1 1740995471 NCWZRUVBPSZYQD-GOSISDBHSA-N 424.527 1.397 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1741133246 PIEGYIGHOOZEET-LSDHHAIUSA-N 410.544 1.397 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1744036519 ZZAZIZVCYGYSRU-UHFFFAOYSA-N 400.491 1.013 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1748789025 GRWPBLOWHVWIQH-GOSISDBHSA-N 416.503 1.685 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748814363 DSQWLJIPYKKYNI-QFBILLFUSA-N 420.560 1.751 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCCS(C)(=O)=O 1748894898 JQFWDPQSMBIXMV-UHFFFAOYSA-N 402.495 1.906 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748925491 JLZJMUDCUQQFIA-QGZVFWFLSA-N 417.535 1.540 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)CC1 1749303854 QRXDCKQNPJEZOO-QGZVFWFLSA-N 417.535 1.392 30 10 HDEE C=CCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749645913 HNNQBMVRGIEPJO-LJQANCHMSA-N 404.540 1.895 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749663900 SYKCYODADQKQRB-APWZRJJASA-N 421.505 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CCOC2)C1 1749736264 HMUNAEVVABOUQR-HXUWFJFHSA-N 417.535 1.482 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1750217654 CWXTXOBKUFMJLK-ADXZGYQBSA-N 418.567 1.945 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750380604 UYFILSWYFBQTFI-TXSJJRPESA-N 422.424 1.308 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1750381091 IBOZMWTWVDMBPH-GJZGRUSLSA-N 402.405 1.553 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCO)CC1 1750385534 QGTTXAGUNFMGNH-UHFFFAOYSA-N 407.482 1.823 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1750985382 QZUVNCFZICENSK-NRFANRHFSA-N 409.494 1.256 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1752405121 POWSYQVBFWIBTC-VQIMIIECSA-N 407.522 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1 1760206519 CDNFDHJYGLYUAV-QHCPKHFHSA-N 408.502 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnnn1C 1760214585 VBMRPENQSUKXMJ-UHFFFAOYSA-N 403.446 1.356 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCOC2=O)CC1 1760263330 XONNVXDFJKVGSR-UHFFFAOYSA-N 400.527 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC(=C)C 1760521649 ZMQSRYPJTVMRHZ-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC)C1 1760543191 QWXNLVVHFCWELI-GPMSIDNRSA-N 412.556 1.513 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](COC)C1 1760557651 SKTZBIXAVLJHRM-QGZVFWFLSA-N 422.555 1.213 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760565154 OXEKYSFNFHQYBA-QGZVFWFLSA-N 422.599 1.649 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1760565844 FVTFDAWOMOJASL-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC12CCC(CC1)C2 1761500134 FVPRMELJDKNXOW-XYSPPFBYSA-N 408.528 1.197 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1769736633 ZUVQOFRSTLTYOO-KRWDZBQOSA-N 412.494 1.857 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)c1 1769923035 YWQNRHKPABLUMD-SFHVURJKSA-N 401.467 1.854 30 10 HDEE N#CC1CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770743727 AYFCSTJCDUQHHM-INIZCTEOSA-N 411.441 1.812 30 10 HDEE COc1cc2nc(C(=O)ON3C(=O)c4ccccc4C3=O)c(=O)n(C)c2cc1OC 1772789990 IEGAOIRCYARPEU-UHFFFAOYSA-N 409.354 1.319 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCCN(C3CCS(=O)(=O)CC3)CC2)cc1 1852780147 HLAAYBHSQLRITI-UHFFFAOYSA-N 404.536 1.276 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2=O)cc1 1853872792 VQLLXPRJVCGCPB-UHFFFAOYSA-N 411.439 1.166 30 10 HDEE COCCn1cc(C(=O)N2C[C@H](C3CCN([C@H](C)CCC#N)CC3)CC2=O)cn1 1853902176 YWDVXCLNVKMHGM-SJLPKXTDSA-N 401.511 1.922 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(CCN2CCOCC2=O)C2(CCCCC2)C1=O 1854212572 BBANKIOSZMKSBB-GOSISDBHSA-N 405.539 1.821 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1854255606 FPMDYSOPHZPXMO-HKUYNNGSSA-N 402.539 1.099 30 10 HDEE C=CCN1CCC(=O)N(C(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc21 1854310589 BYJXCPGTAXLWRV-KRWDZBQOSA-N 410.518 1.885 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@H]3CCOC3)c3ccccc32)cc1 1854479452 DKPQQUBFVKBCPN-HNNXBMFYSA-N 411.439 1.663 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)C[C@H]2CSc3nc(C)cc(=O)n32)C1 1854660698 VZTCXMWTCCGMMV-CVEARBPZSA-N 404.536 1.862 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1=O 1856451428 IPLZKGGEGTVZKA-QAPCUYQASA-N 400.454 1.932 30 10 HDEE COc1cccc2sc(N3CC(C(=O)N4CC[C@H](N(C)CCC#N)C4=O)C3)nc12 1856542853 OOVWEYUKRUSGJG-AWEZNQCLSA-N 413.503 1.714 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2c(OC)cccc2OC)C1=O 1856748138 GMEQVXUBGGSBKK-HOTGVXAUSA-N 415.490 1.554 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C12CCCC2 1856819455 FHGHEMFRCDQSMM-UHFFFAOYSA-N 403.504 1.824 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(CC(=O)C4CC4)CC3)CC2=O)cc1 1857216361 HLXSBOMSZPFFAH-IBGZPJMESA-N 408.502 1.073 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc3c(c2)OCO3)C1)[C@H]1CCN(C)C1=O 1857263874 KASMKMJFDMZAIQ-SJORKVTESA-N 413.474 1.052 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)CC1 1857416225 JWYBLOGZVLNDTG-UHFFFAOYSA-N 414.481 1.905 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)C3CC4(COC4)C3)C2)C1 1857461646 XACNAGAOXLJRCF-OAHLLOKOSA-N 410.474 1.208 30 10 HDEE CSCC[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866929533 QKOZGKJTVAVNMT-NVXWUHKLSA-N 423.560 1.950 30 10 HDEE COc1cc2c(/C=N/n3c(SC)nncc3=O)c(C(=O)O)n(C)c2cc1OC 1873498162 RVTINZBWAPUZAL-FBCYGCLPSA-N 403.420 1.450 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874279890 HIDMGIQINIVQRN-NPNVKNKFSA-N 419.507 1.770 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccn1 1874434878 BQCUODPRMILNGO-WSDLNYQXSA-N 417.539 1.932 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 1892071617 YEITWSLLDQLTNX-IBGZPJMESA-N 404.532 1.998 30 10 HDEE O=C(O)[C@@H](CS)NS(=O)(=O)c1ccc(Br)cc1Br 2026943244 SZJLHCUGCFTGBJ-SSDOTTSWSA-N 419.116 1.873 30 10 HDEE CC[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2029310918 GXAYLMHSVGLOKE-AWEZNQCLSA-N 407.492 1.955 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 2118166615 KJOLPKGUIRABNL-MSOLQXFVSA-N 422.507 1.094 30 10 HDEE C#CCOC1CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 2146889100 DGVUKNMEEJFIMC-UHFFFAOYSA-N 424.114 1.817 30 10 HDEE CCOCCCN=C(NN)NCc1nn(C)c(Cl)c1I 2174386362 PVFFEBLJBKUBSQ-UHFFFAOYSA-N 414.679 1.014 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174783177 YVOUSLLLFMFUOE-OWCLPIDISA-N 400.545 1.539 30 10 HDEE CN(CCC1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2176911967 WAHKFDDVFJXKPN-UHFFFAOYSA-N 401.529 1.825 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1)C(F)(F)F 2180570190 OXWONKCJOCSEJI-CDUCUWFYSA-N 400.222 1.554 30 10 HDEE Cn1cc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2243383911 GFCLJCUQXMEXCM-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243483989 WAMVPMBCMRYFOB-CQSZACIVSA-N 407.320 1.866 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2243687337 WEXMWLIRMVLMQL-HNNXBMFYSA-N 410.320 1.910 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2246720772 POVOBJUZNMGMEZ-AGIUHOORSA-N 405.289 1.757 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247931176 XCZQVMOGYIRCRT-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255816659 JGBRGELXORBCKF-LPHOPBHVSA-N 424.354 1.970 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2COCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282328085 SEORSRQSBDVCHW-LBPRGKRZSA-N 403.331 1.049 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CCNCC1 2282331643 QCCYETDZJJLEBU-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CC[C@@H](CCN)C2)OC1(C)C 2282490487 IKKCTCYGKJYFOF-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCC[C@H]2O)OC1(C)C 2282495819 ROYNDXJOSPWFKT-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCC4(C3)CC3(C4)OCCO3)nc2)OC1(C)C 2282686295 QRXMZKQENAMYJD-UHFFFAOYSA-N 400.284 1.750 30 10 HDEE CO[C@H]1C=C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282837540 FNQJTGDCJKTMQO-NEPJUHHUSA-N 400.331 1.205 30 10 HDEE C[C@H](O)C[C@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838122 JHGFDZRWZJNUGA-RYUDHWBXSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCC[C@@H]2N)OC1(C)C 2282842652 AYEUISCVYXJSSS-NWDGAFQWSA-N 401.363 1.132 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](CCN)C2)OC1(C)C 2282843586 PWNJTGSLDXSEBW-CYBMUJFWSA-N 400.375 1.548 30 10 HDEE CC[S@@](=O)(=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)C 2282849587 DIJJARBDFLXIBN-VWLOTQADSA-N 405.351 1.304 30 10 HDEE CCCNC(=O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878258 CWGWEEWVIOTDAX-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283105551 ZINQACHDCUMREA-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE C=C(CS(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284397457 MFTJOXMBGXPMNV-LBPRGKRZSA-N 405.347 1.784 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284400114 RTNZEPVLQMCCLF-JTQLQIEISA-N 403.331 1.745 30 10 HDEE CCC[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406944 FIYOMWWSVQSWKY-NSHDSACASA-N 403.331 1.921 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CC(=O)O 2284415959 RYZNNJGKYAESAA-JTQLQIEISA-N 403.331 1.745 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@]3(C(=O)O)CCOC3)c2Cl)OC1(C)C 2284449099 KOBRUMMLDSRULZ-INIZCTEOSA-N 401.677 1.674 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2304822001 CEEZQAHFUNULCB-UHFFFAOYSA-N 423.294 1.596 30 10 HDEE C[C@@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2359277117 MVDQDAAHQBLOPT-GMXABZIVSA-N 401.721 1.687 30 10 HDEE CN1CCC(CC(=O)C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)CC1 2365199936 TWUDDIOLNFHSJB-UHFFFAOYSA-N 400.541 1.761 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365204849 OZIJOJXICWFJTH-OWCLPIDISA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2365205921 DMOPVMXZTUTNFD-AUUYWEPGSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2367788373 ONGZOBQZIWEFSN-GJZGRUSLSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2367799743 CVBFZZGPMGTNAA-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCCN1C(=O)OC(C)(C)C 2367800903 NNVUYQUWOGOYCU-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](COCC)NC(=O)OC(C)(C)C 2367806485 KWRNCKSFMJEPCO-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CC1(C)OB(c2csnc2CN2CC[C@H](S(=O)(=O)C(F)F)C2)OC1(C)C 2368502827 PAHZITLBNPDRNU-JTQLQIEISA-N 408.301 1.654 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)cc2)cc1 5535651 XIVZYZCOYUCQEG-UHFFFAOYSA-N 402.428 1.757 30 10 HDEE C=C1C(=O)O[C@@H]2[C@@H]3C(CO)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 6654974 UMVSOHBRAQTGQI-CIQXWFTPSA-N 410.422 1.782 30 10 HDEE endogenous,in-man O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 33584346 CWCKUXRPDMCXIF-HZQHCPKGSA-N 409.442 1.985 30 10 HDEE COC(=O)c1ccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70896968 VOSVPHYSUDQZGT-UHFFFAOYSA-N 421.457 1.711 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)CC1 111224655 NMCPRXHHCKTQLH-SFHVURJKSA-N 407.540 1.116 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)C[C@H]1CCCO1 404833297 WEIKFSDBYBXDKR-CQSZACIVSA-N 401.359 1.988 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 409499011 ITEQNCHFCXVTNS-CVEARBPZSA-N 410.540 1.846 30 10 HDEE COc1ccc(C)cc1C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCOCC1 409569429 FIWBNLYJOJZJAZ-INIZCTEOSA-N 409.508 1.111 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440390703 ZNTJKLXNTMJQCC-CZUORRHYSA-N 411.483 1.672 30 10 HDEE CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCC2CCC(C#N)CC2)c2ccccc2O1 443349566 VDZGGPMDUADTSW-RJYAGPCLSA-N 412.490 1.753 30 10 HDEE N#Cc1ccc(NC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)nc1 463951076 ZYYDLJSAEATBSS-VTLVALNESA-N 424.460 2.371 30 10 HDEE CC(C)N1[C@H]2CC[C@H]1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 465370690 HPTGBDTWDBKUDS-ROUUACIJSA-N 404.536 1.966 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)cn1 466047032 YRBLIDVSXOVBBM-QGZVFWFLSA-N 411.485 1.931 30 10 HDEE C=CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 468371663 KFIHBIXLLGKTOO-UHFFFAOYSA-N 407.536 1.691 30 10 HDEE CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1 471943803 OMAAVMIJLYYVKS-INIZCTEOSA-N 401.510 1.532 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCOc3ccc(C#N)cc3)C2=O)cc1 486497028 NKAIGMRGVFTOHE-HXUWFJFHSA-N 403.442 1.909 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1 487357227 ONBNNQTUIWZKCO-PYGSNRKYSA-N 414.527 1.390 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 505259389 HEHOPNXVDZALMI-CQSZACIVSA-N 415.313 1.306 30 10 HDEE COc1cc(CN2CCN(c3ncccc3C#N)CC2)cc(OC)c1OCC(N)=O 506259390 PDLYVBARTNYITM-UHFFFAOYSA-N 411.462 1.157 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 521370696 DQIATYSKAPVMOG-HNNXBMFYSA-N 424.417 1.408 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)Nc3ccccn3)cc21 526898662 SUJAZZSYOCBTHO-GDLZYMKVSA-N 413.455 1.563 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@H](C)Oc3ccccc3C#N)C2)cc1 535544007 USRDZARORMFQRL-AWEZNQCLSA-N 415.471 1.523 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)CCCc1[nH]nc(N)c1C#N 536343203 GEVNCXKSQGKYCN-SJLPKXTDSA-N 409.538 1.507 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 543634208 MGGRAHGLPBRDBW-SECBINFHSA-N 409.258 1.890 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 557721946 LOOOAXCJIGZSIH-PVAVHDDUSA-N 402.882 1.869 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 558918777 HRJNQIHJAMZRSR-JXFKEZNVSA-N 411.506 1.834 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](CN(C)S(C)(=O)=O)C3)cc2C1=O 560724075 ILUANFOOIGKMQE-CQSZACIVSA-N 419.503 1.212 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 573531094 JMFFMPSZTLQMPB-MRXNPFEDSA-N 407.492 1.559 30 10 HDEE C=CCN1CCN(C(=O)CCc2ccc3c(c2)CN(C(=O)NCC)CCO3)CC1 581799859 DVJLDFWOQIZCEX-UHFFFAOYSA-N 400.523 1.873 30 10 HDEE N#Cc1ccc(NC[C@H]2CCCCN2CCn2nc3c(cc2=O)CSCC3)nc1 585628324 XFHYZHFKDWKBBJ-GOSISDBHSA-N 410.547 2.266 30 10 HDEE Cc1nc(-c2ccc(CNC(=O)C(=O)NC3CCN(CC#N)CC3)s2)cs1 585693515 NVOPGBLMOHSKAP-UHFFFAOYSA-N 403.533 1.900 30 10 HDEE Cc1cc(C#CCCO)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703969292 KMBUGZRISRIKGI-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C1CC1 732670019 KLKSDLVSXONXEG-ZDUSSCGKSA-N 415.269 1.718 30 10 HDEE CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732707936 JNLSPYNXIUIOHR-CQSZACIVSA-N 403.870 1.826 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)c2ccc(OCCC)cc2)CC1 733149215 AQPPRYUEUVAJNM-UHFFFAOYSA-N 413.518 1.722 30 10 HDEE C#CCOc1ccccc1CNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 734135498 YWMKFMVXZMRQAG-UHFFFAOYSA-N 406.435 1.353 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740200132 GATHYGYXCCZADP-IBGZPJMESA-N 416.455 1.856 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)cc1 740238760 XUYOJPLJNDOMCL-KRWDZBQOSA-N 403.412 1.395 30 10 HDEE C#CCCN1CCC(NC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 743491326 FGVMAFAXRALQFR-UHFFFAOYSA-N 406.446 1.306 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)NC1=O 746391148 XDLDZIFXXDARNQ-CYBMUJFWSA-N 402.442 1.861 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N(CCC#N)Cc1cccnc1 755188419 JOJNGYDXEJVBOV-QGZVFWFLSA-N 415.494 1.840 30 10 HDEE COc1cc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc(OC)c1O 758416058 WJNVSGLDKYYZSF-ZIAGYGMSSA-N 420.466 1.968 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1)[C@@H]1CCS(=O)(=O)C1 774251118 NDXYZGOYWWITIR-CHWSQXEVSA-N 413.521 1.521 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)NC[C@H]1CN(CC(C)C)CCO1)CCO2 774847757 YTGRPGUPXSTLPZ-KRWDZBQOSA-N 405.495 1.671 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccnc(N(C)C)n2)C1=O 775658820 STQLZVQGPWOYAS-MRXNPFEDSA-N 423.502 1.682 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C(=O)O)CC1 777381208 RTGZSFBLTIXPAB-HNNXBMFYSA-N 421.519 1.997 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)cc1C#N 787975372 ATFVDTYKFWHFJA-HXUWFJFHSA-N 422.485 1.373 30 10 HDEE C[C@@H]1OCC[C@@H]1N(CCO)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 797615698 GPNYIHBXWAOFLH-GTDBQLIHSA-N 424.523 1.503 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 800788299 ZFBWRXKOFWPERC-OAQYLSRUSA-N 410.478 1.607 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 805092721 VGZLJWXXHGGTMK-WTKPLQERSA-N 412.471 1.650 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 805149764 MJEGGEDBBOZJON-ZDUSSCGKSA-N 409.464 1.439 30 10 HDEE C#CCC(CC#C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 806366778 CDXVOVKOYNFMFB-UHFFFAOYSA-N 404.488 1.708 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](c2cnn(C)c2)C1 849506377 NEHHOOVKGZJKLN-RTWAWAEBSA-N 421.549 1.849 30 10 HDEE Cc1ccc(-c2nnc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)o2)cc1 914884863 JIJOBRKZCFBHFG-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE CCCCNC(=O)NS(=O)(=O)c1ccc(NN=C(C(C)=O)C(=O)OCC)cc1 1084057064 OYTUSRPBNAEGCK-UHFFFAOYSA-N 412.468 1.395 30 10 HDEE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)cc(OC)c1OC 1084385115 LVFWNXOGYQDLSD-JTQLQIEISA-N 408.484 1.845 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)C1 1116789356 VYACOKIRFQHPBB-KRWDZBQOSA-N 422.503 1.589 30 10 HDEE C=CC[S@@](=O)(=NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 1134861746 GOFYJOHKHAJNSD-LJAQVGFWSA-N 415.475 1.064 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCN(C(=O)CC#N)CC3)CCCC2)c1 1137369153 IZEYPWZWEWWGDR-UHFFFAOYSA-N 417.531 1.974 30 10 HDEE C=CCOC[C@@H](NC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC 1139176049 QOCILOMTGOVLIE-LSDHHAIUSA-N 414.499 1.557 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)C1 1141699290 OQVWKVJTYTUKPV-ANZKDXPISA-N 419.526 1.680 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1143438815 FIJVXRLGRHTVBG-QPJJXVBHSA-N 411.437 1.053 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1 1152165811 LJEDLIWMFLCQLK-NRFANRHFSA-N 412.446 1.634 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H]([C@@]4(C)COC(=O)N4)C3)CC2)o1 1178125422 HQOUOFOMLMRJAU-MGPUTAFESA-N 401.467 1.808 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCC#C[C@H]2CCCCO2)cc1 1180363523 XSRFXYSNBBKQJG-LJQANCHMSA-N 420.531 1.979 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(=O)OC)cn2)c1 1183798538 CTGCMJWYLHETLX-UHFFFAOYSA-N 401.444 1.052 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC(O)(CN3CCOCC3)CC2)sc2c1CCC2 1192680943 BUWOXRRVDBEDIR-UHFFFAOYSA-N 418.563 1.596 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)nn1 1193476530 UYSKJWVRWNQBIX-UHFFFAOYSA-N 413.887 1.354 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)C1 1221867960 IBBCXVAONYAECK-NHCUHLMSSA-N 411.550 1.281 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(C)=O)C1 1286336747 WRMWKRVZYATUPW-FHWLQOOXSA-N 403.527 1.911 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286393627 FNXMWNUUWKRQGZ-MRXNPFEDSA-N 410.540 1.137 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1286417151 XGMXWSSGHQROOH-LJQANCHMSA-N 418.501 1.522 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](OC)C(F)(F)F 1286465290 LMBOULCRQOIAIQ-CHWSQXEVSA-N 403.405 1.283 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CC[C@]3(CCOC3)O2)n1 1286469053 CNLKUAARDICXQA-PZJWPPBQSA-N 414.510 1.407 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](F)COC)CC1 1286479418 RVPYGMXJEJUWDI-OAHLLOKOSA-N 407.440 1.887 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@@H]2CCCO2)CC1 1286485512 OKMKHWWPUVERHW-RBUKOAKNSA-N 403.527 1.471 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1286709757 DDSBBDUPEUQDQH-MRXNPFEDSA-N 415.498 1.897 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2sccc2n1 1286774665 AMZPSDPQIRZEEC-LLVKDONJSA-N 420.520 1.713 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3nccn3C2)C1 1286799359 VFBRZVUJGMGBDQ-DLBZAZTESA-N 413.526 1.657 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CCCO1 1288798841 CNDYOMHLUBISIE-KSSFIOAISA-N 410.544 1.587 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCNC(C)=O 1292052598 BFAXNQLJAVCBFW-UHFFFAOYSA-N 403.531 1.853 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccccc2F)c1OC 1293084913 ZDIXECWRIYQPEA-CQSZACIVSA-N 407.423 1.502 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1294181036 UTUMBISQZHCJJV-QGZVFWFLSA-N 415.396 1.518 30 10 HDEE C#C[C@H](NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C)c1ccc(Br)cc1 1298538653 LAGACCXDTZDION-AWEZNQCLSA-N 413.231 1.901 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300504822 TYQZOGSSTBFUGT-GOSISDBHSA-N 402.520 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1300578720 GZXCCQXBPHBCRN-KRWDZBQOSA-N 410.522 1.341 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1300595461 AZJWEGVTUHPJHP-UHFFFAOYSA-N 404.515 1.841 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1nc(C)no1 1300595702 GVMHMTQFEBUNLT-HKUYNNGSSA-N 412.494 1.789 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C1CCCCC1)N(C)C 1300663519 DPDXWSKZWFQGFF-RTBURBONSA-N 416.570 1.826 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300722012 FUWLHRRHBZLRFP-OPAMFIHVSA-N 415.538 1.441 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301050651 CPVPMACQHZCNFM-CYBMUJFWSA-N 407.862 1.422 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)cc1 1301333412 GTDUUMGCRYHKDH-LJQANCHMSA-N 413.499 1.773 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)NC(C)C 1301490792 ZVGOVSJDAGBAOU-UHFFFAOYSA-N 405.890 1.257 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1301539527 SDSLPMVUDAOHOW-DZGCQCFKSA-N 420.495 1.183 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)CCO1 1303004998 VTVXURWANLCMIH-CHWSQXEVSA-N 419.536 1.597 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ncc(C(F)(F)F)[nH]3)CC2)C1=O 1304048960 RNRMNZUDBXAQNI-UHFFFAOYSA-N 413.356 1.111 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 1309800224 NFGXUCIIDZPJMD-UHFFFAOYSA-N 403.254 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358880381 KZSPKSVDVSFULE-GJZGRUSLSA-N 418.519 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1358890603 RXMWFSWZVKMXHO-ZHRRBRCNSA-N 422.537 1.388 30 10 HDEE C#CCCCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1358917673 XZRXRXVRNNTASU-NRFANRHFSA-N 403.527 1.839 30 10 HDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358924861 LKSPIPLDASWTPD-KRWDZBQOSA-N 424.505 1.980 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1nccc(C(F)(F)F)n1 1358975826 GCKPNCXQEDHVIW-UHFFFAOYSA-N 414.395 1.803 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1358982771 KAFALRFEZYHMHG-RXVVDRJESA-N 424.501 1.990 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(C(C)(C)C)no1 1359018577 VOWASXQZSUDFTO-UHFFFAOYSA-N 402.499 1.836 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359100794 GMSFZDXOBZPOEE-UXLLHSPISA-N 402.499 1.294 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCS[C@@H](C)C1 1359333629 DTHIAUFBLMBHMU-HNNXBMFYSA-N 407.565 1.806 30 10 HDEE C[C@@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1442330820 YJRVBHGILPQQNE-OAGGEKHMSA-N 423.510 1.837 30 10 HDEE CN1CCC(N2CC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1443743719 RUJQSQCUMBOULB-IBGZPJMESA-N 418.582 1.922 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccc(OCC(N)=O)c2)CC1 1444993079 YKZIWPPTYSTGDE-UHFFFAOYSA-N 415.490 1.817 30 10 HDEE C[C@H]1CS(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1447749631 GVFDQUWDYYJBPU-NSHDSACASA-N 412.309 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1449358802 PXMPGQLUVFJZAB-CVEARBPZSA-N 420.514 1.985 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1454714872 BRUREAMFGJNAFP-GJZGRUSLSA-N 412.512 1.051 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cncc(C#N)c1 1456016109 BVWCASCYKUHTHW-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE C#CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1 1460186899 HRMZAFKMFPGNIY-UHFFFAOYSA-N 413.499 1.811 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCn3nnc4ccccc4c3=O)CCOCC2)cc1 1462129647 SFYFCNIURDIMBS-UHFFFAOYSA-N 403.442 1.875 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CCC1 1462960299 ZARWYSYMAMQUAK-UHFFFAOYSA-N 403.504 1.215 30 10 HDEE COCCn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 1464097639 AVYWEOZYKCRPAJ-UHFFFAOYSA-N 411.441 1.671 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)C1 1465612781 VSINMFOECWKYTP-FEDUSRTKSA-N 403.483 1.009 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(Oc3ccccc3)c2)CC1 1471451393 RQYFDURQYZCAQS-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3ccccc3OCC#N)CC2=O)C1 1472249676 JVDPLXNFGGQOEO-AWEZNQCLSA-N 414.462 1.539 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccnc(-c4ccc(Cl)cc4)n3)C2)c(=O)nc1O 1472370329 DNODAYUUAVRJMH-UHFFFAOYSA-N 408.805 1.628 30 10 HDEE CC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OC(C)(C)C)C1 1472371235 PHJAGWZLGSJJOV-HXUWFJFHSA-N 417.466 1.241 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2ccccc21 1478567960 MMMNUUFXAGQZRI-RBUKOAKNSA-N 417.469 1.546 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCC1(C#N)CCCCC1)CCS2(=O)=O 1478988329 MWPFMEZFHKUWPG-XAUUPUKJSA-N 411.524 1.659 30 10 HDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1504788397 GJXGDFKQVYRSDX-GOSISDBHSA-N 409.494 1.847 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507582154 CUFHQPPLWBEBFE-UHFFFAOYSA-N 410.526 1.139 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507623050 QDJBTRTUFAZXHC-JKSUJKDBSA-N 419.551 1.187 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1507623068 QMKXCISBGWTRDQ-OAHLLOKOSA-N 407.540 1.233 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1507623768 XADGIFXNMILIIC-HNNXBMFYSA-N 409.556 1.119 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C)on2)CC1 1507726750 LMUJHAYQNGVHDX-UHFFFAOYSA-N 406.490 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)C(C)C)CC1 1507740729 DTUZVZFUWVHBKB-UTKZUKDTSA-N 403.527 1.502 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507746675 ANOYHBDQCLVLIM-MRXNPFEDSA-N 400.508 1.048 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1507820750 MAOBYJDOILZMBM-MRXNPFEDSA-N 409.512 1.655 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1508036099 KDRDPADADJMFMH-UTKZUKDTSA-N 419.526 1.491 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1508047946 MBHNFWGHGDVHRT-IBGZPJMESA-N 410.522 1.883 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(C(=O)N(C)C)CCCC1 1508405572 GHYBPQRCORNMQY-OAHLLOKOSA-N 403.531 1.661 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)NCCn1cnc(C#N)n1 1525393469 ADUBPYGHTODKIE-QGZVFWFLSA-N 412.450 1.637 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(I)cnn1C 1527795040 PKFXLBAEVFKWLR-UHFFFAOYSA-N 403.220 1.442 30 10 HDEE CC(=O)NC1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1534678615 FQGNVQOEMLWJGD-HTWSVDAQSA-N 411.462 1.327 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 1536640990 AQRLZFGXSFGNHZ-YUDUXTHKSA-N 402.388 1.763 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1539078724 FVNZIXNFPGOZPT-UHFFFAOYSA-N 412.538 1.795 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539089091 HITZUZDAILGIHB-GOSISDBHSA-N 402.543 1.378 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1539116130 GMVPAMDCJHAGPU-KRWDZBQOSA-N 400.527 1.775 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1539126145 SZBCVLXBTIPXOD-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CCCCC1 1539256627 BZJUVIHVRBXHIX-UHFFFAOYSA-N 421.549 1.787 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1ccnn1 1539319557 AWQIGNDYAINTOD-UHFFFAOYSA-N 417.473 1.861 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[C@H]1COCCO1 1539420730 KMTLDMXFPUGEJO-SFHVURJKSA-N 402.499 1.031 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(N(C)C)nc2)CC1 1539446975 MKGWRJIYZHMQHJ-LJQANCHMSA-N 409.538 1.784 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCOC(C)(C)C2)CC1 1539477494 OOFQFBXMWOGHQW-UHFFFAOYSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539514317 XRNZDJAYRDWGEI-HNNXBMFYSA-N 412.523 1.142 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1539823497 DPRBSVOEQMTGAQ-RDJZCZTQSA-N 419.917 1.871 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539900681 QXLBXHUEXZGQMO-OAQYLSRUSA-N 400.527 1.833 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)C1=O 1539963738 CARCHYOJMIQGQF-HTAPYJJXSA-N 417.506 1.386 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1540007070 YBORSWBZWXQTEY-CABCVRRESA-N 418.585 1.406 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCCOC)CC1 1540870647 RYTZBVPUCIYMEN-MRXNPFEDSA-N 407.515 1.106 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540922354 LWADZNUFDRHDJD-OXQOHEQNSA-N 423.583 1.905 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 1542802181 MFZGSVAPMCXYCX-HNNXBMFYSA-N 423.535 1.984 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1542842175 XQWUUXAVSVRPPG-KRWDZBQOSA-N 406.527 1.060 30 10 HDEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)s1 1543100311 MSXGGHGEAHHKBI-UHFFFAOYSA-N 422.518 1.936 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 1543990591 NHJMNBPDGWKDOT-NSHDSACASA-N 417.281 1.906 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1547555338 GTUDCBFLNUSMSL-SFHVURJKSA-N 422.493 1.911 30 10 HDEE CC(C)S(=O)(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1556889607 RJIKRXRWQKNMJH-UHFFFAOYSA-N 414.325 1.696 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CC1 1558422106 RJIYPSRPIONYBO-UHFFFAOYSA-N 401.507 1.870 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCO[C@](C)(C#N)C3)ccn2)CC1 1558602302 LWNZZSYKSJDQKA-OAQYLSRUSA-N 415.494 1.893 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1F 1558605845 DLHHYIDSTCLNID-UHFFFAOYSA-N 409.435 1.666 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 1559824181 CRXNGCLADIDGCG-HUUCEWRRSA-N 408.499 1.374 30 10 HDEE C#C[C@H](NS(=O)(=O)CCCCS(N)(=O)=O)c1ccc(Br)cc1 1561601485 OFDTXTPPBCPOLI-ZDUSSCGKSA-N 409.327 1.112 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1586286248 PVDXXOPVYJEDHZ-ZGOJQLDESA-N 420.510 1.090 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1587550306 GNVJUSYMJFTZAR-UTKZUKDTSA-N 402.495 1.660 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCCn2cnnn2)c1 1587683979 QENUMJISGYUWKX-INIZCTEOSA-N 421.509 1.925 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1587809031 XRWOSCSHLXOTCS-KRWDZBQOSA-N 418.542 1.800 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)cc1 1587964344 ICHZRHXPJCWYSD-SFHVURJKSA-N 414.437 1.792 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cnccn2)CC1 1589571116 XTEJWVDPAQMSAN-YLJYHZDGSA-N 413.526 1.912 30 10 HDEE C=CCCOCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1594829716 PDXOYQKCIYHUCA-UHFFFAOYSA-N 418.586 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC(=O)N2)C1 1595754288 MSTZOBJCCGWFEI-LHHMISFZSA-N 405.499 1.062 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595784385 FDNCYAHFDURBTB-MRXNPFEDSA-N 405.524 1.802 30 10 HDEE CCOC(=O)[C@H]1S/C(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)N(C)[C@H]1C 1613902927 HUEMCGDOMSTLKJ-MRZFSKQKSA-N 414.505 1.350 30 10 HDEE C[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C(N)=O)C1 1617118764 SUXSTCSZYTZDET-BZNIZROVSA-N 405.296 1.869 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)OC 1619598602 OYDQWKDZUWLBAR-KRWDZBQOSA-N 414.510 1.829 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1619627289 JARVCPXKUGMGCR-OAHLLOKOSA-N 407.471 1.282 30 10 HDEE C[S@@](=O)Cc1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1624835949 DWRAOWKTKDRYPY-AREMUKBSSA-N 405.501 1.632 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CC(N)=O)cc2)s1 1625601035 ZBDFJCDFXXUICX-UHFFFAOYSA-N 407.517 1.099 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CS1(=O)=O 1628692232 MXBLJXLXLGZTAI-MRVWCRGKSA-N 409.895 1.646 30 10 HDEE N#Cc1cn(CCNC(=O)c2cnc(-c3c(F)cccc3F)s2)c(=O)nc1O 1630030278 APDHFGLMAOGIRL-UHFFFAOYSA-N 403.370 1.652 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1631072871 NHYRCVSBQGNSJP-OAHLLOKOSA-N 410.492 1.061 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1634071596 OGOHMGBZBCLCGU-CZUORRHYSA-N 406.280 1.906 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1635159752 CIOHXXGIZSAYMC-GFCCVEGCSA-N 418.291 1.647 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)c3cccc(C#CCO)c3)C2=O)c(OC)c1 1636092004 QBXHHSCVDKSETF-FQEVSTJZSA-N 408.454 1.579 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)Cc2ccc(Cl)cc2)CC1 1636480037 JQHOPRAUOXVFAZ-UHFFFAOYSA-N 411.955 1.911 30 10 HDEE CN1CCC[C@H](N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)C1 1637449278 GMXWFUXZUGXMFX-NRFANRHFSA-N 410.566 1.948 30 10 HDEE C=CCCC[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OC 1638395028 LJFZKAUSWNMJEW-MRXNPFEDSA-N 406.483 1.274 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(F)(F)[C@@H](CO)C3)C2=O)cc1 1641411279 KVDHHJANZRQOHB-HIFRSBDPSA-N 406.389 1.239 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C3(CO)CC3)nnc12 1648909766 GWGYJDWPOGYIRV-ZDUSSCGKSA-N 413.503 1.600 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)s1 1652928839 MCBHTNYBFWGOCI-GJZGRUSLSA-N 414.549 1.409 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCOC2(CCS(=O)(=O)CC2)C1 1660652063 QMURRADPDTYURE-MRXNPFEDSA-N 423.510 1.740 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)ccc1Br 1661962713 DPSCYGMIPHJBPD-KGLIPLIRSA-N 419.322 1.661 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1C(=O)OC)C(=O)OCC 1663610978 FRBTWLQHLMVMQF-ZDUSSCGKSA-N 400.840 1.697 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1672431471 FYPGOYIBKVGVJP-HNNXBMFYSA-N 414.491 1.538 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1682226800 PKJKHVZOFDNEMO-IBGZPJMESA-N 408.458 1.706 30 10 HDEE N#C[C@H]1CN(C(=O)NCCN2C[C@H]3CCCCN3C2=O)CCN1Cc1ccccc1 1684245592 BLQRBZQTZOEQNJ-UXHICEINSA-N 410.522 1.696 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1689902208 WTOOAXXIGTZKQW-UHFFFAOYSA-N 419.555 1.025 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@@H](O)C1 1689961298 RZAIRHATKYYVJE-JKSUJKDBSA-N 406.490 1.813 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CCOC 1690010187 ZGCQWAHLLDQJSM-UHFFFAOYSA-N 409.490 1.367 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1Cc1cn(C2COC2)nn1 1690021152 JLYFFCPNGKNQMT-UHFFFAOYSA-N 401.474 1.461 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1690073742 FFMNQOMVRSILDP-CQSZACIVSA-N 400.449 1.963 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnnn1C 1690097734 NPQVRPYYKWILDU-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CCC)CC1 1690124884 WJMUFVAQZQEBQD-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690128364 BQGVQYKAHGBCMK-FQEVSTJZSA-N 419.533 1.915 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690359244 WKHCLPPBLVIEMV-KDOFPFPSSA-N 410.906 1.285 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690484905 GZADBHUDPPNEGS-IRXDYDNUSA-N 423.583 1.887 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690508402 IEYILSBXWJGAKG-JXFKEZNVSA-N 405.499 1.796 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1690597479 VBVFMADDHJFDRM-ZACQAIPSSA-N 410.540 1.410 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690629255 NHQUWPCZTGAIEQ-HNNXBMFYSA-N 418.498 1.883 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1705476215 TWWHLKZCHCGTHU-JKSUJKDBSA-N 424.496 1.328 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1705560722 MWPPYRZZLOYIJK-INIZCTEOSA-N 401.536 1.954 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705561690 VTTKIEWYSWQESQ-IRXDYDNUSA-N 424.567 1.398 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)O)CC1 1705645833 HBBPMLJEQYOYAH-UHFFFAOYSA-N 411.506 1.690 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1705660177 OTCSWLNNVDPYIE-OAHLLOKOSA-N 412.581 1.552 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1705736956 HCMSYPIFDAWOEB-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC)C1CC1 1705854884 QDEDWSOXMFAJLN-CQSZACIVSA-N 403.508 1.787 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(C)(C)C)CC1 1705931863 CSRKKVSTDYILHW-UHFFFAOYSA-N 406.556 1.795 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706068326 ICMLNUCBJWKLCF-UGSOOPFHSA-N 423.926 1.744 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)CC)n1CCN/C(O)=C1/N=CC=CC1=O 1708704167 BTWIPZGANUTOGY-ICFOKQHNSA-N 403.487 1.179 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1712616811 IUMUJSSVMXMPSD-MRXNPFEDSA-N 415.450 1.108 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](CC(C)C)N(C)C 1712647810 KTGDYSIGXUXYPP-VJANTYMQSA-N 420.558 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1722296562 RQNJKYFOZXQWBZ-HZPDHXFCSA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368823 WNFMWNPNYIPBTA-KRWDZBQOSA-N 423.583 1.266 30 10 HDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1722371108 HCBAGTMMHUXGCB-AWEZNQCLSA-N 419.532 1.231 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCNS(=O)(=O)c2ccccc2)CC1 1722431894 PNXSWRPFEMIIRV-UHFFFAOYSA-N 416.551 1.135 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2conc2COC)CC1 1722439955 WDDQTNPJJKTFEB-UHFFFAOYSA-N 407.478 1.202 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCn2cncn2)CC1 1722440910 GPXMCROTAJIXFK-UHFFFAOYSA-N 410.457 1.043 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722482876 YUNGPPPXZBOFFM-OCCSQVGLSA-N 420.315 1.550 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C 1722500505 IWLBMCGUCUXRPQ-CQSZACIVSA-N 414.576 1.596 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722522937 NJZFBOGOSZGQIF-SFHVURJKSA-N 412.542 1.603 30 10 HDEE C=C(C)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1722526122 ORCQHCSRHIQVPX-OAQYLSRUSA-N 420.558 1.153 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722531584 QLOQXSGPZBXJBX-QGZVFWFLSA-N 400.483 1.274 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1722608471 DXZKWFZAJZPSNA-KFKAGJAMSA-N 409.556 1.861 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)C1 1724004406 GWSGSEBGCOUPPL-JOCHJYFZSA-N 421.505 1.791 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N(C)[C@H](C)CC#N)n2CCCn2cnnn2)cc1C 1724384904 SSPLUTPOZSUIDX-MRXNPFEDSA-N 422.497 1.962 30 10 HDEE CCCN1CCC[C@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1728154330 BYCBWIVWYURZLT-SFHVURJKSA-N 411.558 1.701 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1740530985 CMTYKTLHKNJNJM-JKSUJKDBSA-N 404.478 1.842 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740590863 KIZQQCSXIONFKZ-IRXDYDNUSA-N 421.567 1.335 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1740628519 QVWKQNUZZDAPPP-ZWKOTPCHSA-N 423.583 1.488 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1740637949 CFKBEPJHQYGNAB-MRXNPFEDSA-N 408.462 1.024 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccsc1 1740678168 DGJGLFSJQAZZCQ-IBGZPJMESA-N 405.524 1.472 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1740717628 XIXYHHGQLYACPU-MRXNPFEDSA-N 424.592 1.554 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CCOC 1740750699 TWESVMMYMSLFPO-ZWKOTPCHSA-N 416.526 1.862 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740875648 HMOSPXVXIGAQOC-LJCCNALRSA-N 424.567 1.919 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740885303 DARFCJDLTPLVGT-CHWSQXEVSA-N 403.405 1.589 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1740954883 IFSMFKZJWGWFKC-LJQANCHMSA-N 424.505 1.749 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnn(C)n2)C1 1740979625 BBIJALLVBOLNRI-MRXNPFEDSA-N 410.482 1.231 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1740994322 PDJREDLPKMVNRN-QFBILLFUSA-N 412.556 1.767 30 10 HDEE CCC(CC)c1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)on1 1744003319 DSVFWXKDUKPUMI-CVEARBPZSA-N 413.482 1.898 30 10 HDEE CCC(O)(CC)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1744187892 PPBRCVRFZUEDLU-SFHVURJKSA-N 404.446 1.999 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCOC1 1747619000 RIIKZWTUCNOJFT-GOSISDBHSA-N 415.519 1.867 30 10 HDEE CNC(=O)CCn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1748272036 URYREXRAFFLSNJ-UHFFFAOYSA-N 416.489 1.674 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1748649924 UZPPJDFYRZLSOR-IRXDYDNUSA-N 411.506 1.907 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOC2)CC1 1749005438 WHDLVIZLSMALEE-DLBZAZTESA-N 419.526 1.004 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C 1749141027 WOKOSGMSXCRWLU-AEFFLSMTSA-N 405.543 1.852 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749272516 UAMVNQGRCWLODZ-HNNXBMFYSA-N 415.885 1.489 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1749420305 DGFBDCMROAGZBP-QGZVFWFLSA-N 407.482 1.602 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C(C)C)CC1 1749731889 MYFFOHFNOPEVIM-QGZVFWFLSA-N 411.572 1.651 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1CC(=O)N1CCOCC1 1749827410 BOVFPYAJIALCSR-UHFFFAOYSA-N 402.455 1.072 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC1CCS(=O)(=O)CC1 1749828413 BARHDJSVOUQKDA-UHFFFAOYSA-N 418.523 1.531 30 10 HDEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750515538 PEZFUUNQBRZJGB-HZPDHXFCSA-N 401.515 1.221 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1751839559 FBSWRGUQKNXHLL-UHFFFAOYSA-N 417.495 1.134 30 10 HDEE C[C@@H]1CCCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1752172354 COAIZMIOPWIALI-KURKYZTESA-N 415.542 1.470 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760117329 ZJOMENAEOMOUTD-DOTOQJQBSA-N 419.526 1.747 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760144421 OKKVHGQKXAOOPG-HKUYNNGSSA-N 416.570 1.767 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1760172952 DTRFDFVNYQWKAH-UHFFFAOYSA-N 413.478 1.314 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](F)COC)CC1 1760264104 BSTHIHUYOUXNEB-KRWDZBQOSA-N 417.485 1.605 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1761042630 RVCYMBNISURAHQ-HZPDHXFCSA-N 412.485 1.561 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(C)n1 1761074645 CWCQXQYUUQVSCE-UHFFFAOYSA-N 422.497 1.868 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCCO1 1761235684 HPVHTTNDYNUSJP-SJORKVTESA-N 401.515 1.162 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1767097617 DGAVHUYGBOSKGW-NRFANRHFSA-N 420.452 1.836 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)OC 1769237254 FUEQHXKNTZZAJS-ROUUACIJSA-N 410.478 1.289 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1769419257 GMFUVOXEVAUMQS-ZVGUJKQYSA-N 411.462 1.356 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1770785944 FPOBSVGUGVJRMH-INIZCTEOSA-N 414.441 1.880 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C#N)o1 1771214901 GIJJDCVVRVCRHW-HUUCEWRRSA-N 416.482 1.572 30 10 HDEE COC[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)CCO1 1772793970 WBMQPKKGLHVVBE-HXUWFJFHSA-N 420.418 1.393 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)NCC#CCN1CCCCCC1 1850013223 RHVDEKIFBZLLDP-OAHLLOKOSA-N 413.490 1.627 30 10 HDEE CC1(c2cccc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)n2)OCCO1 1851159253 WTJXAKUJUCHNJT-UHFFFAOYSA-N 407.370 1.785 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N[C@@H]2CCCN(c3nccn(C)c3=O)C2)n1 1851244644 NGMWDUYFHBBMQL-GFCCVEGCSA-N 420.395 1.773 30 10 HDEE N#CC1CCN(CCNC(=O)c2cn3cc(I)ccc3n2)CC1 1851501883 LZUFQMLYFBGCGV-UHFFFAOYSA-N 423.258 1.904 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)c3nc(-c4ccccc4)ccc3C#N)C2)c1=O 1852981194 QNLRGZJSJCBRBT-SFHVURJKSA-N 415.453 1.958 30 10 HDEE N#Cc1ccc(C(=O)CN2CC(=O)N(C(=O)[C@@H]3COCCO3)c3ccccc32)cc1 1854045583 YMBVIZDYWSPQBC-FQEVSTJZSA-N 405.410 1.536 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@H]1C 1854281151 GXAUTKMWCWJFSL-HUUCEWRRSA-N 416.547 1.794 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@H](CN(C)CCC#N)CCC2=O)cc1 1855474842 YTMIJYWOFUOASG-INIZCTEOSA-N 421.519 1.470 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C2)CC1 1855867262 LEIPZUOBCNHNOL-IAGOWNOFSA-N 412.465 1.789 30 10 HDEE Cc1ccc(N2CCN(C[C@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)nn1 1855881374 RNARZKJZOWQQFB-GOSISDBHSA-N 404.474 1.468 30 10 HDEE N#CCCN1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856132392 IDTVUUAZUVNJHQ-OAHLLOKOSA-N 416.503 1.484 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1CCC#N 1856197866 AFSLOWHZHKVCGM-SJLPKXTDSA-N 418.519 1.203 30 10 HDEE COc1ncccc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856410482 IJQZTRUIQHUYIS-AWEZNQCLSA-N 407.430 1.109 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C1(C)C 1856774814 JWLYIAJXVWALOW-OAHLLOKOSA-N 420.535 1.692 30 10 HDEE Cc1ccc2nc(CN3CCN(C(=O)CC#N)C(=O)C34CCCCC4)cc(=O)n2c1 1856920468 KDMSEAKZPVGBHW-UHFFFAOYSA-N 407.474 1.790 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cc4ccccn4c3)C2)CC1 1857062649 NPQVCUUPXPBQEF-INIZCTEOSA-N 414.487 1.493 30 10 HDEE Cn1cc(C(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CCC2=O)nn1 1857236956 QLUZAYCCEPUHPG-OAHLLOKOSA-N 407.478 1.340 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857276972 LSZNRQKGGVQEOK-YJBOKZPZSA-N 403.454 1.298 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857281988 QAUOVQBEMKODMU-HUUCEWRRSA-N 417.897 1.900 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@@H](CN2CCC3(CC2)C[C@H]3C#N)CCC1=O 1857286317 JKPQFUJMRNLQQQ-CVEARBPZSA-N 412.490 1.398 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(CC(F)(F)F)c3cccnc3)CC2=O)CC1=O 1857480666 JMYJOMANQXQZDU-GJZGRUSLSA-N 424.423 1.860 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1C[C@H](C)O 1870501921 WUZHAMAZAJRTFK-KRWDZBQOSA-N 412.490 1.816 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCN(C)CC2)n1 1871657021 MEDLRRCVOOEHTO-UHFFFAOYSA-N 423.569 1.139 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(C[C@@H]3COc4ccccc4O3)CC2=O)nc1C 1872724917 YMODCTOKXQIMMS-GFCCVEGCSA-N 415.471 1.980 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCCNC(C)=O)ncnc21 1875230756 MPKOYGCZIJGUGG-UHFFFAOYSA-N 402.499 1.400 30 10 HDEE CC(C)(S)[C@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)O 1882736018 AXLNMYKBPRJKND-SECBINFHSA-N 415.274 1.731 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1888159579 KCZALPGTLRZIKQ-GFCCVEGCSA-N 403.467 1.869 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 1890766832 FWHGBPSXZBJULL-QGZVFWFLSA-N 420.425 1.434 30 10 HDEE CN(CC1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)CC1)c1ncccc1C#N 1890949982 JYHYALLIJUARNB-KRWDZBQOSA-N 405.524 1.052 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 1891833325 BXTFOKTYXLCWLC-CQSZACIVSA-N 401.400 1.591 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1982302292 HWYZTVSFHMWRFS-GFCCVEGCSA-N 413.334 1.840 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(=NO)C[C@H]1C2 2126502399 LBVZKOIREMMHRJ-BBEJJTJUSA-N 423.466 1.655 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139217212 XMLZKYSZEKOQCM-MGPUTAFESA-N 421.494 1.028 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2187512603 KHZHZABYWMERSJ-UHFFFAOYSA-N 409.493 1.966 30 10 HDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247805275 NUYAFCYMSNYRTI-UWELNFAVSA-N 422.287 1.336 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247828297 NEFCEAYLSFYCTQ-ZHRRBRCNSA-N 408.311 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CC1 2247865122 PQKOTEFUBUMHQO-UHFFFAOYSA-N 421.303 1.776 30 10 HDEE CC1(CCNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)OCCO1 2247881321 WBAYYBYUMJIZQL-UHFFFAOYSA-N 403.331 1.479 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247923376 XPDDFWQJNMHRQV-UHFFFAOYSA-N 420.319 1.811 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829684 TWPJENAQPHBJPG-VQIMIIECSA-N 424.354 1.970 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835659 POYMPAWSXQWPRQ-LPHOPBHVSA-N 424.354 1.970 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCCS(N)(=O)=O)c2Cl)OC1(C)C 2267103961 PTFZNIITYMASRX-UHFFFAOYSA-N 408.738 1.109 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCC[C@@H]3O)cc2Cl)OC1(C)C 2267354752 RGCRHZUYUXQMDI-MNOVXSKESA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCNC[C@H]3CO)c2Cl)OC1(C)C 2281936767 QYJTVGFARDYMMO-JQWIXIFHSA-N 400.737 1.401 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=S1(=O)CCNCC1 2282314880 GPXXPTJWYPNNOA-UHFFFAOYSA-N 420.387 1.116 30 10 HDEE CCS[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282333202 LNSAQNWPMCCXRB-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE COCC1CN(S(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282494662 ATADYZDQTJUVJP-UHFFFAOYSA-N 401.359 1.931 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282495013 GMEHZFSXWNYJKO-GZMMTYOYSA-N 415.264 1.637 30 10 HDEE C[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282837764 GWVDEYWTFSUEHX-VXGBXAGGSA-N 403.737 1.934 30 10 HDEE C[C@H](N)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282853739 IENMEHZSILBDBY-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)CCNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856007 MIVNXXJFZLMYMP-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC(C)[C@@](C)(O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876283 AVMDMZRNAIDGIZ-KRWDZBQOSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC[C@@H]3C(=O)O)s2)OC1(C)C 2284410470 BXMHVWVXNHBCOL-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE CSC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284412734 XNQYNRKZBMNVRQ-NSHDSACASA-N 421.371 1.283 30 10 HDEE C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415114 VVKQIFRCBAKXFG-QWRGUYRKSA-N 401.315 1.674 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CC(O)([C@@H](C#CC(C)(C)S(C)(=O)=O)NC)C1 2365206560 HNXNDEXOADFNPE-FTXHTYHOSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CF)CNC(=O)OC(C)(C)C 2365208971 FJTCRJLIZYSDBR-KDOFPFPSSA-N 408.536 1.407 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367801362 RETXDJHBIQVVKQ-BZUAXINKSA-N 400.541 1.570 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370297682 QVROJJDOJOMZES-KGLIPLIRSA-N 400.412 1.781 30 10 HDEE COC1=CC(=O)c2c(cc(OC)c(CSC[C@@H](NC(C)=O)C(=O)O)c2O)C1=O 15215938 PBMJDDQAEYEYKK-LLVKDONJSA-N 409.416 1.133 30 10 HDEE biogenic Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nnc(C)s3)n2N)cc1 20918504 LTFNHFWGKVNVPZ-REZTVBANSA-N 403.497 1.637 30 10 HDEE C=CCn1c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nnc1C1CC1 25381468 IFMRKJMTPKRLEU-UHFFFAOYSA-N 401.496 1.271 30 10 HDEE C=CCN1C(=O)/C(=C\c2c(NCCCO)nc3ccccn3c2=O)SC1=S 33933439 QGMQIWLCEVQBPT-ACCUITESSA-N 402.501 1.876 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 59310854 SOOGBWSGLRSXLC-CNHKJKLMSA-N 414.451 1.486 30 10 HDEE C=CCOc1ccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCC(C)C)cc1 66228990 ZMPSDKYVAJJSBX-GOSISDBHSA-N 403.479 1.580 30 10 HDEE C=CCn1c(=NC(=O)CN2C(=O)CCC2=O)sc2cc(C(=O)OCC)ccc21 254715627 RIDSOSZRJBZRQQ-UHFFFAOYSA-N 401.444 1.642 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 429459656 YRBIPZYNJPSXTP-VCBZYWHSSA-N 421.505 1.567 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)sc2ccc(C#N)cc12 429927018 BMERHRJBFFPLSE-UHFFFAOYSA-N 412.515 1.698 30 10 HDEE CCC1(CC)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC[S@@]1=O 469892569 WLLGQZKYUUQEKL-RXBISOJRSA-N 411.549 1.375 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 482322219 HVBFBSCTYBVNMN-KRWDZBQOSA-N 422.453 1.719 30 10 HDEE COc1ccc(NC(=O)[C@H]2CSCN2S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489243987 YRERDKAKAXQEOS-QGZVFWFLSA-N 418.500 1.973 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502698217 IDGLUWCXVFZXQM-LJQANCHMSA-N 409.508 1.651 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 503323290 PXPZUDMNACBEGI-UHFFFAOYSA-N 408.524 1.993 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505747935 PVKQCUOBKSAYJT-VGOFRKELSA-N 420.554 1.793 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 506199482 PZLOIEZBCDFCNJ-QFIPXVFZSA-N 420.554 1.841 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1 513262639 OMSNGPCFDZYVAL-BLLLJJGKSA-N 402.480 1.405 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 520976564 GMINMCHMKDFSMC-LJQANCHMSA-N 415.515 1.580 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N3CCCCC3)cc21 526841491 UCEJTQPTWYPGPA-MHTXLSKPSA-N 418.515 1.930 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)cc1C 533596164 JVKPUCSVEKKSDR-INIZCTEOSA-N 418.563 1.760 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](C(N)=O)c3ccccc32)CC1 537272566 DOOMRZFILKQIRP-MJGOQNOKSA-N 423.542 1.936 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c1 542432076 LNVVNKGUXXUQSJ-GOSISDBHSA-N 414.487 1.471 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)n1 568049724 XWPFWOSMMTWLPC-UHFFFAOYSA-N 414.469 1.509 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571100187 CEYXAUXANFZDFM-LJQANCHMSA-N 411.506 1.605 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 586052193 AJNVNGJGPZWNMQ-KRWDZBQOSA-N 416.437 1.575 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N[C@@H](C)CC)cc2C1=O 623389057 LAONOJLOBWTKCV-BLLLJJGKSA-N 401.488 1.898 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 729331007 IMUITRSHLNNQRQ-CQSZACIVSA-N 409.464 1.617 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)c1 731885806 WNPQTPWKWWUSAO-LJQANCHMSA-N 411.483 1.476 30 10 HDEE N#C[C@@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 732663639 BAALBGOSFLEMFG-CQSZACIVSA-N 412.309 1.422 30 10 HDEE N#C[C@@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CCN1C1CC1 732674772 LTXUWXNJFYHVKU-UXHICEINSA-N 401.486 1.581 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCN1C1CC1 732707705 DBUSTGYJOKICFQ-HNNXBMFYSA-N 415.881 1.604 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C2=N/C(=C/c3cnc4ccc(C#N)cn34)C(=O)O2)c1 736456724 WMWMHEZEQYITHZ-RQZCQDPDSA-N 421.438 1.801 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 741674482 FCEXIZLLUMHFQD-OALUTQOASA-N 402.516 1.812 30 10 HDEE COc1ccc([C@@H](CC(=O)OCC(=O)NCc2cccc(C#N)c2)NC(C)=O)cc1 746547722 JGGVSAQZHSAZFU-HXUWFJFHSA-N 409.442 1.994 30 10 HDEE COc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 746876195 CGBMQYXAKLXYQH-ZDUSSCGKSA-N 412.471 1.700 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1C#N 746877017 MFYICTXNFMKAMH-QFIPXVFZSA-N 404.426 1.577 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCCN(CC(=O)OCC)C3)cc2C1=O 747758937 SOHNCFQHQRDPNA-HNNXBMFYSA-N 400.431 1.653 30 10 HDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 749869935 LATNOJOKUSAIMB-UHFFFAOYSA-N 415.397 1.136 30 10 HDEE C[C@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 751392305 GLBJHVOWKLCNQR-LLVKDONJSA-N 416.297 1.502 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 758991342 BGCVMPRPDHAXNE-GXSJLCMTSA-N 414.384 1.852 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C 763437103 LGLLCJKGOBZASS-UHFFFAOYSA-N 406.511 1.575 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 770424155 HRSGCKOCAQLEFR-UHFFFAOYSA-N 402.454 1.189 30 10 HDEE Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CCC2)ccc1NC(=O)C1=S=CC=C1 771071210 KKMHCCLMUCEWCV-UHFFFAOYSA-N 417.512 1.965 30 10 HDEE COc1ccc(C#N)cc1COC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 772261580 GGPOCUDEDOQPFU-UHFFFAOYSA-N 408.407 1.648 30 10 HDEE Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 773364918 RGUWFCZRZMCHDD-HYHOCUEZSA-N 424.501 1.941 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCO1 773790983 BGJCISNIYHSPSC-ROUUACIJSA-N 407.474 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)C1 777204051 FRLJHILVQBAMJV-KRWDZBQOSA-N 403.435 1.654 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1 780882616 JSOISIXMJYPRJC-IBGZPJMESA-N 406.442 1.568 30 10 HDEE CC(C)CN(C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 781397768 NHKWTHIQTXNGHQ-GOSISDBHSA-N 418.515 1.805 30 10 HDEE N#C[C@H]1CN(C(=O)COc2cccc(I)c2)CCN1C1CC1 783437582 AHUSQSNQQLUWQF-AWEZNQCLSA-N 411.243 1.869 30 10 HDEE Cc1sc(=O)n(CCC(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1C 787053798 SNCWRQRWSYXXLS-HNNXBMFYSA-N 402.432 1.850 30 10 HDEE COc1ccc2nc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)sc2c1 788766385 RXBWZBNOWIIUPV-CQSZACIVSA-N 424.507 1.734 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)ccn1 795966317 JHZKZNPVCQZVRN-UHFFFAOYSA-N 414.443 1.533 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC(=S)NCC(F)(F)F)cc1Br 807967438 XIHHRYUIXCIMTB-UHFFFAOYSA-N 419.248 1.457 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 812182106 CBHSLUSWFDPBMQ-INIZCTEOSA-N 412.494 1.948 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 914679794 JBTVKRFQDBNXNZ-CYBMUJFWSA-N 400.412 1.713 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916774760 AFTXDJRPJBWVBN-WQVCFCJDSA-N 403.460 1.068 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](CCC(=O)OC)O2)cc1 1125087339 LFXBDOKHMQOQIX-DOTOQJQBSA-N 410.492 1.932 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)cc1OC 1129890122 VPUXSINPRYRRKE-DZZUKKPASA-N 402.447 1.553 30 10 HDEE COCc1nnc2n1CCN(C(=O)COc1cccc(Br)c1C#N)C2 1130612976 IUUCBVIIVJRFJJ-UHFFFAOYSA-N 406.240 1.480 30 10 HDEE CO[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1C(F)(F)F 1134429226 TXZGWDHXYHHIIX-HZUKXOBISA-N 402.394 1.790 30 10 HDEE COC(=O)c1cccn(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1=O 1135762174 BZDFAWYJXODUKD-GOSISDBHSA-N 412.421 1.183 30 10 HDEE N#CC1(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)CCSCC1 1140390818 NDALEGMYWCLSNB-HNNXBMFYSA-N 409.533 1.807 30 10 HDEE Cc1cc2[nH]nc(NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)c2c(=O)n1C 1142821813 RXPXZRGBFXOGFR-UHFFFAOYSA-N 413.459 1.900 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] 1144429529 WGWUIQTYVYTSCT-FYWRMAATSA-N 409.196 1.614 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1152685614 IAMAWIGRLJFPKN-INIZCTEOSA-N 403.435 1.134 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CO1 1158045064 WIFQDEZNRULFPL-LLVKDONJSA-N 413.427 1.404 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CCN(OC)CC1 1161073267 FKFWTPPYROLFJT-QGZVFWFLSA-N 422.551 1.768 30 10 HDEE Cn1cc(O)c(=O)cc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1163760560 LJWGPJGCCCWXPU-GJGORFQUSA-N 416.478 1.494 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CCCOc2ccc(C#N)cc2)C1 1175883140 QMJMYXMFYKLKHX-UHFFFAOYSA-N 400.479 1.748 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1182809794 VJXMNSSBHWPOTO-LJQANCHMSA-N 414.506 1.151 30 10 HDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)NCCOc2ccc3c(c2)OCO3)c1=O 1189987809 QEURFJRRJPUOLT-UHFFFAOYSA-N 409.320 1.663 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCN(c4ccsc4C#N)CC3)cc2C1=O 1196083979 YNCQPPQZKIQGLN-UHFFFAOYSA-N 409.471 1.606 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)[C@@H](O)C1 1196704482 NTMQBTVZRGQHJJ-KBPBESRZSA-N 415.899 1.860 30 10 HDEE N#Cc1cc(NC(=O)NCC2(O)CCS(=O)(=O)CC2)ccc1OC(F)(F)F 1217007909 GKRBNTWMBFBVIU-UHFFFAOYSA-N 407.370 1.518 30 10 HDEE C=CCNC(=O)CNC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1228741743 FGPAKOLOVIUHLM-HNNXBMFYSA-N 422.551 1.217 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 1253348957 VVPDNEIJEMZWEN-MOPGFXCFSA-N 420.554 1.751 30 10 HDEE C=CC[C@@H]1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1280379740 ZNNOPKJCIDKAHA-MRXNPFEDSA-N 408.520 1.683 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1286299074 SDNMURWFCYOSIU-ZFWWWQNUSA-N 406.483 1.834 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286394292 NRRNXUIALWGVEB-QAPCUYQASA-N 420.510 1.670 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCOC(C)(C)C1 1286467320 ULLLFJRBQDQIAJ-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286504006 MYMQSYBGTMLTSR-UHFFFAOYSA-N 422.580 1.405 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1286638216 WXKPHLXQTNEZKY-BOSXTWCSSA-N 423.583 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)CCOC 1286780740 ZNMRSRUZAARUTF-UHFFFAOYSA-N 411.304 1.431 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)CCC(=O)NC 1286783178 MZFPOHJFHUZJMG-UHFFFAOYSA-N 420.901 1.482 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1286788134 QNYZWOFVFRQTIC-OKZBNKHCSA-N 403.527 1.727 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)NC(C)C)n1 1290589172 DCQQQLXROZDELT-OAHLLOKOSA-N 422.559 1.206 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNc2ccccn2)n1 1290645740 DDKIPXFBYVVPEP-SFHVURJKSA-N 421.509 1.766 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1297963333 DGTXUYBWDCNRJH-KRWDZBQOSA-N 423.477 1.326 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)n1 1298953014 JLFKMZBAOFTVIK-UHFFFAOYSA-N 413.913 1.616 30 10 HDEE COc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)ccc1OCC(N)=O 1300018147 BYMVTGSTQCIGKQ-SFHVURJKSA-N 408.458 1.782 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCCO 1300310469 XSLFYBRQIMIBKM-QGZVFWFLSA-N 413.526 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1300569058 AOZYATMULDHQGC-QHCPKHFHSA-N 421.501 1.904 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O 1300648154 LHDCIKQMZHWDFI-JOCHJYFZSA-N 421.480 1.936 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(-n2cncn2)c1 1300663783 FXVBAQGABKUEJG-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CC=C)CC1 1300700115 LYNZSGNPHUEFPJ-KRWDZBQOSA-N 405.568 1.538 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCOCC1 1300813413 JEBSXYHHFJCDGZ-DENIHFKCSA-N 411.554 1.853 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@H]1C 1300899620 HMBDJWKPIRSQNT-HZPDHXFCSA-N 414.576 1.011 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nnn(C)n2)CC1 1301110034 RYBTUGVBKHLBGK-IBGZPJMESA-N 402.503 1.293 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 1301280971 XGIJWWMBXDSTQY-GOSISDBHSA-N 418.496 1.259 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301458590 CSEKQEPMMHELAE-KBPBESRZSA-N 409.537 1.709 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C1 1301555350 VRAPSIOHHRXOTG-GJZGRUSLSA-N 402.499 1.056 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301606107 JETOIQOBHPUQTJ-KRWDZBQOSA-N 412.523 1.966 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307460993 GZQFEUDLMYABHP-GOSISDBHSA-N 422.529 1.351 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3ccccc3C[C@@H]2C(=O)NCC)c1 1307859441 IZJJUVBSFNWZNE-HXUWFJFHSA-N 404.470 1.879 30 10 HDEE COCCOC1(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCOCC1 1312727873 CZYMIGQZWDMBCV-UHFFFAOYSA-N 416.522 1.598 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCCc2nnc(S)n2C2CC2)CC1 1312934782 RMOUMMOKCPPYBU-UHFFFAOYSA-N 403.537 1.909 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)CCS2 1313384797 GBZLBQJBGOHSDC-BIWSTMPVSA-N 409.508 1.692 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1COCCO1 1316099608 IDLIVBIBCZRNKY-QGZVFWFLSA-N 416.438 1.635 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CCN1C1CC1 1316540008 SNLODKZOWYHBLH-HOCLYGCPSA-N 410.469 1.978 30 10 HDEE CN1CC[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H](c2cnn(C)c2)C1 1346702226 JSGZOVJIOUKSNS-VQTJNVASSA-N 407.522 1.507 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 1353198863 XHOHXCPGIQLSMU-UHFFFAOYSA-N 408.418 1.019 30 10 HDEE C#CCCCn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1358927912 NEYLNWRYJKTROQ-SFHVURJKSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358964091 SZRGUCNYITZKMJ-IAGOWNOFSA-N 423.583 1.408 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1359238234 DAGRLAAUBLJDND-QGZVFWFLSA-N 414.485 1.875 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1359238470 LWSDFBSAUAUAPT-UHFFFAOYSA-N 409.494 1.775 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1F)C1CC1 1359298522 CILJPJCGHQYQDX-QGZVFWFLSA-N 412.469 1.840 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@H](C)c2nccs2)CC1 1359305305 ZRSLYXNEUVPYGW-OAHLLOKOSA-N 419.555 1.457 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)SC)C1 1359314301 YUASZIZOSILLBK-HZSPNIEDSA-N 403.574 1.421 30 10 HDEE Cn1c(=O)c2cc(C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)n(C)c2n(C)c1=O 1435301290 CEHKHPPQDFWZJO-UHFFFAOYSA-N 405.336 1.718 30 10 HDEE C=CCc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)cc(OC)c1OC 1438312847 VDUYGQKWOXRATJ-OAHLLOKOSA-N 411.476 1.235 30 10 HDEE COc1ccc(OC(F)(F)F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1439799120 WYVDVJYHCABYPM-ZUZCIYMTSA-N 404.366 1.604 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H](O)C3CCOCC3)C2)C1 1445710055 NTASAKZWPAHCMC-GWWPLSDWSA-N 407.511 1.677 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCN(CC(F)F)C3)C2=O)cc1 1451658048 VJQPEYDSJSZKQH-DZGCQCFKSA-N 405.405 1.219 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)[nH]c2C)CC12CN(C(=O)OC(C)(C)C)C2 1456295523 VKIICQXVFZXELZ-HNNXBMFYSA-N 402.451 1.677 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 1456389376 GZODFHIOZRUBOD-UHFFFAOYSA-N 418.251 1.628 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)Nc2ccc(C#N)c(C#N)c2)CCS(=O)(=O)CC1 1456937127 XQHCTVKPGLKNPS-UHFFFAOYSA-N 403.460 1.905 30 10 HDEE CC(C)(C)N1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1461158310 ABJMVCQMDJQQDZ-HOTGVXAUSA-N 411.462 1.279 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(Br)cc1C#N 1464734758 ZGJKQTUKDARXNX-INIZCTEOSA-N 407.312 1.993 30 10 HDEE COc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)ccc1C#N 1464776189 YAMVAYAFOFRAFX-UHFFFAOYSA-N 403.446 1.501 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)C1 1464981603 TVONDPKTOPEJMK-OAHLLOKOSA-N 406.508 1.355 30 10 HDEE COC(=O)Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)[nH]c2ccccc12 1466064201 IQCXIIBYGRCCIA-AWEZNQCLSA-N 418.457 1.896 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@H]1CCN(O)C1=O 1468372413 GIYVCYFWDFUCBE-HOCLYGCPSA-N 402.451 1.710 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 1469448236 KTFYERPVHQNSOM-GOSISDBHSA-N 408.499 1.380 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1470539753 QPOPQMDBVUWPPT-GOEBONIOSA-N 417.897 1.779 30 10 HDEE Cn1nc(I)cc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1470622169 HKEHNYGHTKUGHB-UHFFFAOYSA-N 407.215 1.833 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1473890199 ZWQZFIRTVIRNAK-WBVHZDCISA-N 415.437 1.616 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503188344 PDESFIRMKAXUIB-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1503520974 CAQHZDQITACFSJ-UHFFFAOYSA-N 416.463 1.398 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nnn(C)n1 1504097471 AXOIOMYRIRJRDC-NSHDSACASA-N 401.862 1.917 30 10 HDEE COC[C@@H](Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C)OC 1504593121 GNNOLXIARNDDAF-QGZVFWFLSA-N 413.526 1.830 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCCN(C)C 1507514819 PLTDSTWWJGWFTF-QGZVFWFLSA-N 412.538 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507528875 OYJHYLXHYRFSOD-PBHICJAKSA-N 419.489 1.883 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1507622493 HAAKNPAKLFNSNJ-KRWDZBQOSA-N 419.551 1.497 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(CC)nn(C)c2OC)CC1 1507725415 VPVBRENJFDBNJO-UHFFFAOYSA-N 408.510 1.381 30 10 HDEE C#CCSCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1507758115 JGTDGWWMBYTFCQ-HXUWFJFHSA-N 422.551 1.686 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)(F)F 1507981339 GNSOVUKYEKMZKI-UHFFFAOYSA-N 416.429 1.570 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1507989040 XGLQEOZHEJLSSE-NHCUHLMSSA-N 405.543 1.540 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)CC)C1CC1 1507989985 GMBRKVDUKYZIAI-LJAQVGFWSA-N 412.523 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1508080425 OGYMDJKCWFOIRU-HNNXBMFYSA-N 421.505 1.441 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(NC(C)=O)CC1 1508084043 FXBNKZKMJJLCMB-UHFFFAOYSA-N 402.524 1.338 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508143933 PUSNZRZMZZPTRC-GOSISDBHSA-N 423.583 1.132 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCC1 1510186303 GDKOQBQOONWSGF-INIZCTEOSA-N 423.587 1.504 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1512285138 FFOFVYSUEZOSIK-SIFCLUCFSA-N 415.519 1.601 30 10 HDEE CO[C@]1(C)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1517888353 CLUVAGUJAVQGJO-AUUYWEPGSA-N 419.507 1.698 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cc1 1521095940 TUOLCFCXLNDXAL-UYAOXDASSA-N 422.489 1.989 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cc(OC)c1OC 1521584813 XDHRFRYBIZBASO-DKPOVWRCSA-N 402.403 1.114 30 10 HDEE C=CCOc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1537448781 ZGPXEQVKGXBHIN-BATSVXPKSA-N 421.515 1.809 30 10 HDEE CCn1c(NC(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)nc2cc(C#N)ccc21 1537589357 FIBONCZRLMDLDZ-HNNXBMFYSA-N 421.461 1.762 30 10 HDEE N#C[C@]12CN(C(=O)[C@H](OC3CCOCC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1539117608 ARQFZPPMNRBKGA-ILZDJORESA-N 404.488 1.320 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccccc1F 1539145787 RNTUSZALBNDHSQ-UHFFFAOYSA-N 414.485 1.835 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1539179311 OMLBZDXELVBHRZ-HOTGVXAUSA-N 406.531 1.606 30 10 HDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1539196529 QEXJQECXSDBSEH-HXUWFJFHSA-N 401.536 1.715 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@](C)(O)CC)CC1 1539441847 WXVVOFGXPCEYSR-JOCHJYFZSA-N 413.522 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(OC)C2CC2)CC1 1539488551 ATOCYUTUNADOSP-OAQYLSRUSA-N 403.527 1.596 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N(C)CC(=O)N1CCOCC1 1539775519 NDZAEPJPAKTNEX-AWEZNQCLSA-N 401.895 1.050 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1539980957 BORVTGGDVBUYCN-INIZCTEOSA-N 419.555 1.576 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1540005477 LQOLBDJRSCYCEX-VVLHAWIVSA-N 409.556 1.812 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1540071021 CDNLFJJNFCSKJV-HZPDHXFCSA-N 404.540 1.885 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1540858200 LYDXPMJEZDATLY-UZLBHIALSA-N 402.520 1.773 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1540920197 QUZBIQZJUJJNTK-INIZCTEOSA-N 403.556 1.774 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)NCCN1CCOCC1 1542881321 FHAKIMRQFXQRJP-UBMTZUCKSA-N 419.497 1.387 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cs1 1542913565 CHRLFMARHNUPNJ-ZWKOTPCHSA-N 405.503 1.142 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1I 1545534241 AXKGGXZQANAYHU-UHFFFAOYSA-N 413.215 1.498 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1cccnc1 1546532262 FVRHDDKDCYVKEA-INIZCTEOSA-N 403.494 1.855 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@H](C)C2)CCOC1 1547917566 APCHKUMCQHDXHI-WOCWXWTJSA-N 405.499 1.474 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C)C(=O)OC 1556375830 TYEPGWQZBOHQQX-HIFRSBDPSA-N 422.482 1.717 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)NCc3ccc(C(=O)NO)cc3)cc12 1556381670 BJVWNFFXZBYRED-NSHDSACASA-N 415.475 1.497 30 10 HDEE C=CCC[C@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1556585632 APLFEHHIADXUKV-GCJKJVERSA-N 421.497 1.943 30 10 HDEE COc1cc(OC)c2c(=O)c(C(=O)N3CCN(c4cnccc4C#N)CC3)c[nH]c2c1 1556822840 FKYRLOFZFKMEDV-UHFFFAOYSA-N 419.441 1.774 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1558035571 KDOCTYOVEFRCIG-MSOLQXFVSA-N 412.490 1.657 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1558775941 MQBLMQLOIMQSJG-VOTSOKGWSA-N 412.490 1.337 30 10 HDEE Cn1c(NCC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 1559302561 NARUPWRXUKYKFX-AWEZNQCLSA-N 405.499 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC[C@H](C#N)C2)C1 1565335208 RMXNKJYXKSQDOB-CABCVRRESA-N 414.528 1.356 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1565899904 UBDJVVVUBMHNNW-HOTGVXAUSA-N 400.460 1.154 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)OC(C)(C)C)CCCCC2)CC1 1585000306 WMEXLFFXIAQOOZ-UHFFFAOYSA-N 405.539 1.562 30 10 HDEE C#CC[C@@H]1CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1585656133 KDSCRNMBSMJWRJ-QGZVFWFLSA-N 414.531 1.941 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCCc1c[nH]nc1C 1586072649 IZVKYJLOFOSUCX-QGZVFWFLSA-N 419.526 1.580 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)C(=O)OCC 1587286129 UQQWAEUXTRXDIC-ZDUSSCGKSA-N 404.872 1.447 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(N)c1 1587635398 KEMDWIFXBPIOLG-ZDUSSCGKSA-N 422.507 1.647 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1588089688 NQDPLCOEYGAHKS-FQEVSTJZSA-N 422.551 1.216 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnc2n1CCC2 1588194162 PVZMQIZUONYJAX-UHFFFAOYSA-N 416.445 1.902 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1595536695 FPVUJIQCTYTFHH-QGZVFWFLSA-N 402.543 1.981 30 10 HDEE C=CCC1(O)CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1595700223 UJMUHICFYWBMEH-UHFFFAOYSA-N 410.492 1.056 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccn(CC)c2=O)C1 1595713558 AUHXKBOSKJCPLY-KRWDZBQOSA-N 407.478 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@H](CC#N)C(F)(F)F 1596784299 YOOKMFYDQUBEKC-NWDGAFQWSA-N 406.405 1.853 30 10 HDEE CCN(c1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1)C(C)C 1614869081 KKMILYSSXMAIRG-UHFFFAOYSA-N 413.478 1.056 30 10 HDEE CNC(=O)[C@H](C)NC1=CC(=O)[C@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@@H](C)C1 1615245705 ARTHRGRJHFKZCT-QDDONVENSA-N 422.865 1.888 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnnn2CC2CC2)C1 1617178764 NLKYFXVLSAPERA-UHFFFAOYSA-N 416.283 1.470 30 10 HDEE Cn1ccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1618440088 VQEQVJGBEUZVLB-LBPRGKRZSA-N 400.826 1.053 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1618775631 RJBUHSLVOHJSHQ-UHFFFAOYSA-N 407.474 1.981 30 10 HDEE C=CCC1(O)CCN([C@@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 1620594245 LCQQGEZULCSBGP-IBGZPJMESA-N 401.551 1.927 30 10 HDEE C=CCC1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1624338950 YZSROSUEBCHDKZ-UHFFFAOYSA-N 408.520 1.697 30 10 HDEE C=C(C)CN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1627255165 FLDMVUVLFPVTRQ-UHFFFAOYSA-N 414.568 1.680 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1628086082 JHJXJDUVHRRCPS-MRXNPFEDSA-N 401.463 1.393 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1629536823 FKZHLBUTQBGPRW-ZDUSSCGKSA-N 418.291 1.601 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1632949115 ASAFSSGTFKFFKK-ZDUSSCGKSA-N 416.297 1.240 30 10 HDEE CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1633668552 ZQHLUVUASPUDGS-CQSZACIVSA-N 413.503 1.723 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1634635573 IIDSXIDEVZZVLA-NRFANRHFSA-N 402.495 1.429 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 1635010098 DMQUVDPRAKRVBD-ISLYRVAYSA-N 419.869 1.305 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC[C@@H]1OCCOC 1638862992 HFPWGEODVUHQSC-KKUMJFAQSA-N 406.907 1.959 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)/C=C/c1ccccc1C#N 1641580572 YJFPXMXZGVZNGS-SHBDEGQCSA-N 401.463 1.686 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 1642561022 UGIRMPAKFNBPLO-RTBURBONSA-N 400.456 1.124 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC 1642684189 YJXZVLYRYFSKPP-DOMZBBRYSA-N 413.883 1.416 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 1643330125 IFMBZSZENDAVNZ-KGLIPLIRSA-N 414.487 1.544 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H](N(C)C)C(F)(F)F)s1 1644316606 DZNWVBZFEFNATB-LBPRGKRZSA-N 413.487 1.754 30 10 HDEE COC(=O)[C@H]1CN(C[C@@H](O)c2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1644662175 PHQQWNPNEYRTKI-QZTJIDSGSA-N 415.490 1.934 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 1645688831 QZHQTZPAUAZXGG-IIBYNOLFSA-N 410.478 1.888 30 10 HDEE CCC[C@H](C)[C@@H](CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1646595455 IXEIXHFEDDNTPR-DOTOQJQBSA-N 415.494 1.842 30 10 HDEE O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCC#C[C@H]1CCCCO1 1647805299 WIPZWGXOFQOOLZ-CYBMUJFWSA-N 404.410 1.672 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1(C)C 1648028746 MJXNSRSTHNAREU-ZIAGYGMSSA-N 417.466 1.143 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)CC1 1648265575 SIOIPDOAPSYVAY-XUVXKRRUSA-N 418.582 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H](F)C1 1649068365 DFVWUXHYLPGBBG-NOTNZGAASA-N 410.446 1.367 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1650951736 PGKNAVNHELTADY-GOSISDBHSA-N 424.588 1.772 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)c1 1651569268 WUULFSIAVOSMFX-UHFFFAOYSA-N 423.516 1.667 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCOC[C@@H]3C)CC2)c1 1655960798 NFPHPVJCMQJVLO-INIZCTEOSA-N 407.536 1.476 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)[C@H](O)c1ccc(Cl)cc1 1656066767 CIJNFSKGUWOOTF-NILFDRSVSA-N 403.888 1.231 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](O)C[C@]2(C)CO)n(-c2cccc(F)c2)c1C 1659506010 CJRCRHKEVIVRAX-LAUBAEHRSA-N 400.454 1.861 30 10 HDEE N#Cc1ccc(C2(NCC(=O)N3CCN(c4cnccn4)CC3)CCOCC2)cc1 1659750882 NROUQRBPCHAXKF-UHFFFAOYSA-N 406.490 1.292 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 1665457122 HQIMNVHEAXETOB-LJQANCHMSA-N 419.547 1.805 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 1670465715 OIHMDMRDIJPLMH-UHFFFAOYSA-N 402.266 1.468 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(NS(=O)(=O)CCC)cc1F 1672004724 SJQZLPUQLSEXLV-UHFFFAOYSA-N 407.489 1.700 30 10 HDEE N#CCNC(=O)CNC(=O)N1Cc2cc(Br)ccc2OC2(CCC2)C1 1672533531 UCCYJXAUHPYALB-UHFFFAOYSA-N 407.268 1.916 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC(F)(F)F)cc2)CC1 1673111533 RAKGLYNDQSNSCD-UHFFFAOYSA-N 420.413 1.245 30 10 HDEE CO[C@@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1679501306 BIKVMVJFLLCKKF-MEDUHNTESA-N 401.398 1.302 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)s1 1680826260 FVEXWDMKRYGXJS-UHFFFAOYSA-N 415.537 1.321 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CC[C@@](F)(C#N)C3)c3nccn32)C1 1685466868 YBIWFKOJRTVOCL-FZKQIMNGSA-N 404.446 1.921 30 10 HDEE C#CCN(C(=O)NCc1nc(Cc2ccccc2F)no1)[C@H]1CCS(=O)(=O)C1 1687589045 KDDZMBNKDKHHTC-AWEZNQCLSA-N 406.439 1.131 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1689964699 VFSZVZRYEXPMQW-AWEZNQCLSA-N 415.502 1.034 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689979699 GDTBISGYKHJVFV-SJORKVTESA-N 409.600 1.933 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1689987977 GSZHPHKPGIASEB-HNNXBMFYSA-N 403.508 1.689 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690247044 YZGFCFWBRLQUNN-ROUUACIJSA-N 423.583 1.999 30 10 HDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(N)=O)C1 1690302399 DDJVFTCUNVSYEQ-OAHLLOKOSA-N 400.439 1.758 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)CC1 1690667323 ZLKWRALSGINQLV-UHFFFAOYSA-N 402.474 1.155 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCc1cnccn1 1690724375 NNNHDOOGONGUEB-QGZVFWFLSA-N 420.539 1.589 30 10 HDEE CC(C)COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1692455780 OVHUIICUKWEHDK-YJBOKZPZSA-N 413.519 1.685 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1692588041 YDCUFKNAGNCQLT-UIFIKXQLSA-N 419.526 1.864 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1692662540 IBAPWLAEMXRPLB-NEPJUHHUSA-N 409.434 1.845 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3C[C@@H](C)N(C)C)CC2)c1C#N 1693405707 DMKJJCHZBCHXKB-OAHLLOKOSA-N 411.558 1.421 30 10 HDEE CCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1695029607 IFQUDDVYTLIHOQ-RBUKOAKNSA-N 401.446 1.918 30 10 HDEE CCN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1695560868 OSPKRMZTULOEJF-VXPUYCOJSA-N 407.478 1.779 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1696084537 BUSLUWBSTHQNMA-OXJNMPFZSA-N 405.499 1.476 30 10 HDEE CNC(=O)CCCN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696985519 PCSXUWXKZNQBLI-HTXNQAPBSA-N 415.498 1.034 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705538569 SZLKTERJRGINSC-SFHVURJKSA-N 414.535 1.180 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1705551634 PRSKZZSHDKZMRE-KZNAEPCWSA-N 407.584 1.618 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705559698 FCMBYDTYDSQCCC-IAGOWNOFSA-N 407.584 1.687 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1705612080 YNTAVWYXLAKOFH-INIZCTEOSA-N 413.478 1.117 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)C2CC2)CC1 1705634085 IZARNJFJSNBTCM-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)C2CC2)CC1 1705642885 KLMHYWYGCUQKHV-JOCHJYFZSA-N 413.497 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccccn2)CC1 1705648756 YIGDSHFVQQWXBY-IBGZPJMESA-N 422.533 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(COC)CCC2)CC1 1705653089 YQLSZFNRSMGGIF-GOSISDBHSA-N 415.538 1.912 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705660837 IOCUXLRALCOYPT-QGZVFWFLSA-N 404.584 1.340 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705701616 HHWPVYSAZVXIGP-AZUAARDMSA-N 417.554 1.897 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1705872696 ICQKGNKPCBQDOA-LJQANCHMSA-N 406.483 1.812 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705883389 GSSPSEIINXKANQ-MRXNPFEDSA-N 420.539 1.260 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1cn(C2COC2)nn1 1705884238 JVQXMMQWCDQQOC-KRWDZBQOSA-N 403.487 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cscn2)CC1 1705930150 GWZLYVIKFZSVFC-UHFFFAOYSA-N 424.596 1.781 30 10 HDEE Cc1ccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1707512672 UPONVDWBFCJBGM-QZQOTICOSA-N 421.505 1.748 30 10 HDEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1710992434 GIUXLMKKGQRJCB-GOSISDBHSA-N 414.535 1.392 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1711384135 DUAVXEMJTYBSKZ-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)CCO1 1712882402 BMRXSTRKDPZLLP-INIZCTEOSA-N 411.422 1.108 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCN2CCCCCC2=O)CCO1 1712883917 CFJASTGCMZDXIX-IBGZPJMESA-N 423.521 1.785 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)CC1 1712887133 UYFGHQWBLBGQII-QGZVFWFLSA-N 402.499 1.509 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722294985 ZJUXHAUPYWOISF-CRAIPNDOSA-N 418.505 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1722295172 JLOLMQBCQYHFJW-GOEBONIOSA-N 423.564 1.373 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1722295284 VHHXXYAAEWADGG-CQSZACIVSA-N 402.524 1.611 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722344671 RRRZYYNYFSLYOW-JQVVWYNYSA-N 419.570 1.887 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722368591 TUSGVSMSUFZBRW-GVDBMIGSSA-N 424.592 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ncccc1N(C)C 1722386873 OARLYYAJWAJDTO-UHFFFAOYSA-N 402.506 1.722 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1722411154 ZLHGKMHHUBWSEW-OAHLLOKOSA-N 404.515 1.946 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1722413361 LZLHLJFZIFWAFS-KBPBESRZSA-N 423.564 1.852 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2snnc2C)CC1 1722445091 LIVRNJTUDRYCOB-UHFFFAOYSA-N 424.534 1.458 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722615528 SHSBHQZABBEFOH-GOSISDBHSA-N 423.521 1.621 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1722624698 FFBUDYWFCVCDIZ-HNNXBMFYSA-N 413.478 1.933 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1722639442 LQHZJVWQTIKQLL-UHFFFAOYSA-N 420.535 1.439 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ncn(C)n1 1722647943 PXMBQTOZDGLDHU-UHFFFAOYSA-N 421.553 1.442 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCn2cc(CO)nn2)C1 1722712498 SXFMTRHKRPOPIR-QGZVFWFLSA-N 412.498 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722728955 UMGDCRLJRUYHJA-JKSUJKDBSA-N 423.583 1.525 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1726722294 GNMUBQXLCKKUGT-MRXNPFEDSA-N 424.505 2.000 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(C)=O 1726998892 AYKTVIADPVPVGJ-INIZCTEOSA-N 410.526 1.911 30 10 HDEE CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c1 1728661763 BNTMSHRGQPZSTK-INIZCTEOSA-N 423.521 1.794 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1C(C)(C)C 1730818922 JRBROCYVDVLHNX-LSDHHAIUSA-N 404.519 1.993 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCSC1 1730947005 TUKBPYJOGAPOFB-DFEHZGFQSA-N 411.503 1.312 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740586327 WRWICRSVIWSLGT-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1740599601 DAOOJSCXLDEUQX-GFCCVEGCSA-N 413.450 1.607 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740622641 ZZNOCRHVKZGOQC-QGZVFWFLSA-N 416.551 1.742 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1COCCO1 1740631276 SKNUCJMNYMGNSH-CQSZACIVSA-N 404.268 1.524 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ncn(-c2ccccc2)n1 1740637496 CPWBBQVHLIKKHE-SFHVURJKSA-N 401.474 1.874 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)OC)CC1 1740694278 FAMNYGJBPPPZMC-HNNXBMFYSA-N 407.478 1.384 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1740879044 DPAIPHSFSIBSCR-UHFFFAOYSA-N 416.570 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1748684137 CYDLVQLYJAXMKO-CVEARBPZSA-N 424.496 1.214 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1748784449 APCAHMXVGIOTDI-UHFFFAOYSA-N 402.455 1.600 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748815843 UHBYQDMHJHUTET-XLIONFOSSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO 1748837293 BDWXNLHNBACQLS-OAQYLSRUSA-N 402.502 1.736 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1 1748846525 IAXFYEIUBBMRLV-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O 1748891409 VOMAZQUBVQHMRG-UHFFFAOYSA-N 414.487 1.224 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)NCCC)CC1 1748979771 MIDJOECSWNDVFQ-UHFFFAOYSA-N 410.522 1.625 30 10 HDEE C=C(Br)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1749091733 FXSJLUPXBBZQJG-UHFFFAOYSA-N 422.283 1.807 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1749114419 BUKUJMPYNGTHCZ-JYJNAYRXSA-N 404.515 1.112 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749198708 SFYVBSUQULRLSM-OAHLLOKOSA-N 410.569 1.728 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749672252 UULFEOWYZRDIRA-SFHVURJKSA-N 423.521 1.036 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCS(=O)CC1 1749729351 HJUIMAQBFLQHQQ-UHFFFAOYSA-N 424.548 1.123 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749750900 HAGFEEICDVZDSW-UHFFFAOYSA-N 410.569 1.710 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1750385502 PJPCOJBKDPSOJO-QGZVFWFLSA-N 407.540 1.737 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2[C@H]3CCC[C@H]32)n1Cc1ccc(C#N)o1 1751204493 PHNDOPHWXGYRCV-FWYOQMDTSA-N 404.496 1.636 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1760143267 AVRSAHVUSAESFA-NJNPRVFISA-N 415.538 1.791 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760347592 LYBIESBKPPBKBM-UHFFFAOYSA-N 403.531 1.607 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1760440296 GVAXNGGPFQMWFU-INIZCTEOSA-N 409.556 1.958 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1760454089 VMUWRIZRDFOJST-FBMGVBCBSA-N 422.449 1.074 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760521665 AJDZVKIVSYDRTE-UHFFFAOYSA-N 408.510 1.372 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760552551 RWNXUQRWFCHSSR-HOTGVXAUSA-N 404.540 1.547 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760572010 SNDYXYZSOAZSRZ-KNBMTAEXSA-N 421.567 1.638 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1760695908 BTOZZPFRKOKATD-MSOLQXFVSA-N 422.537 1.833 30 10 HDEE CC(C)N(CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1761179437 DXGLOQCIOHPLMS-GOSISDBHSA-N 400.531 1.916 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1764820299 VGGKNZZIOKHWEL-VKJFTORMSA-N 410.519 1.487 30 10 HDEE CCC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1765628831 VEKTVBJBWANQBD-DZGCQCFKSA-N 422.511 1.407 30 10 HDEE CN(C)CCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1768519010 OVRQUIKDHOZPLU-GOSISDBHSA-N 421.505 1.800 30 10 HDEE COCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1770152082 CGXZVXGVZRHHRC-YJBOKZPZSA-N 419.457 1.949 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1771262387 WVPURRKYYNGMGN-SFHVURJKSA-N 422.493 1.598 30 10 HDEE Cn1cncc1[C@@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCC(=O)N1C1CC1 1772792478 NMXLDFXIYKQXHV-YJBOKZPZSA-N 408.414 1.617 30 10 HDEE COC(=O)[C@H]1CCC[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1 1852615116 UWEKSIZNCQFQQE-ZWKOTPCHSA-N 400.479 1.598 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CCC1=O)n1nc(C2CC2)ccc1=O 1853686984 DHRVJDYGUTVHSU-NVXWUHKLSA-N 411.506 1.682 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)c4ccno4)C3=O)CC2)CC1 1854366970 QALKYMKZOPDJSK-KRWDZBQOSA-N 413.478 1.280 30 10 HDEE Cc1ncn(CC(=O)N2CCN([C@H](C)CCC#N)C3(CCCCC3)C2=O)c(=O)c1C 1854503447 ZWVVNFWJWILZMC-MRXNPFEDSA-N 413.522 1.926 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)c3ccc(C#N)cc3)CO2)cc1F 1855420937 MZLFEOVQXQQBPJ-CQSZACIVSA-N 406.391 1.867 30 10 HDEE C[C@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@@H]1CCOC1 1855975568 IUYMHPBLXZFODI-UONOGXRCSA-N 405.476 1.309 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1=O 1855994993 UNQAQBSAHLEDCN-HKUYNNGSSA-N 403.523 1.596 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)CC1=O 1856816173 MPEDXRVXIPHASF-YOEHRIQHSA-N 423.922 1.790 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nc(C)n3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857263880 UMOLBJOZZLELSC-SJLPKXTDSA-N 409.490 1.350 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 1858650678 MXWXFNKGOHBGNU-UHFFFAOYSA-N 408.867 1.839 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCO2)cc1 1858654505 QPNOFSRDHVGWJP-KRWDZBQOSA-N 407.492 1.554 30 10 HDEE O=C(NC[C@H]1CCCO1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932303 ZQBQTPHYEWEWCS-AEFFLSMTSA-N 413.499 1.632 30 10 HDEE CC(=O)NCCC(=O)Nc1c(C#N)nnn1Cc1cc(Cl)cc2c1OCOC2 1870112653 OMVYBYCFKDZRQF-UHFFFAOYSA-N 404.814 1.183 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCCCN(CC)CC)CC2)CC1=O 1872917739 JUXKPIUUWCWLBU-LJQANCHMSA-N 406.571 1.498 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)CC1=O 1874273503 HJGDRYJSYZDGNH-UWPAOYMWSA-N 416.507 1.558 30 10 HDEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OC 1874433847 ALIFBUIDTKDMAW-AWQFTUOYSA-N 421.479 1.469 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC(n3c(C)nc4ncccc4c3=O)C2)cs1 1891449947 KUTUWZDVHOFWPP-UHFFFAOYSA-N 410.459 1.169 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)CC2)c1 1891929383 KAQMQBWARAGBKB-INIZCTEOSA-N 411.487 1.549 30 10 HDEE C=C(Br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c2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206348184 ZXZIDWYGKAEHMN-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE Cn1nnc(Br)c1[C@@H](O)[C@@H](N)C#Cc1ccccc1Br 2235720331 CFADZPGKVUQQQE-JQWIXIFHSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)N2CC[C@@H](C#N)C2)(C(F)F)CC1 2235751375 JYAOBIPMXHYUNO-LBPRGKRZSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2243673765 AHNBMPOOPBWEDS-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE C[C@H]1C[C@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674482 KAIPUUFOWXSYFE-XTZNXHDOSA-N 424.332 1.501 30 10 HDEE Cc1c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825580 GRTYUSRZXOTYNR-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247919391 QSEKIMDPFBWHKE-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCO2)C1 2247929247 FITOAEFESAAWNC-NRFANRHFSA-N 420.315 1.860 30 10 HDEE CC(C)(C)OC(=O)NCCONC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2247985788 MMQPFGRLBYWXCA-UHFFFAOYSA-N 422.287 1.878 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cnc[nH]3)cc2Cl)OC1(C)C 2267702259 DKARIQPEICJVPM-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716112 IDDICTDKPGBXTR-YDGUKXNOSA-N 407.388 1.435 30 10 HDEE Cc1nc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282022683 VLUGZQOQGTWLHJ-SNVBAGLBSA-N 402.347 1.256 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(F)(F)C1=O 2282306955 VELPOSALONRLPP-UHFFFAOYSA-N 407.269 1.912 30 10 HDEE CN(C)[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331883 STLVSZDNUWRHPI-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCCC[C@@H]3C3OCCO3)c2)OC1(C)C 2282345205 YRCLZRFGLPZDRM-QGZVFWFLSA-N 423.340 1.902 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H]3C[C@@H]3N)c(Cl)c2)OC1(C)C 2282489164 FPEVRKYEJVGRJI-ZANVPECISA-N 421.155 1.918 30 10 HDEE CC[C@]1(N)CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282501665 ACBRVUDPHVXDJH-KRWDZBQOSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H](CN)C2CC2)OC1(C)C 2282832875 SRWVGZGCFFKIPQ-CQSZACIVSA-N 400.737 1.655 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282833768 JXJNKKIZEFTZHX-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE COC(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282840072 DBHUCDDPRMWSQZ-UHFFFAOYSA-N 403.331 1.539 30 10 HDEE CCN1C(=O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1=O 2282882795 QTZAQLHGHNLTQD-UHFFFAOYSA-N 400.287 1.020 30 10 HDEE CC(C)(C)N(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284396506 VVBJGLJKFODWOI-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300231684 ZQMDHJQKTZGRJK-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(C[C@H](O)C#CC(C)(C)S(C)(=O)=O)cs1 2339649915 ZVMGVEWWAGECIO-CYBMUJFWSA-N 402.538 1.898 30 10 HDEE CN(C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C)C(=O)OC(C)(C)C 2365170431 PKNPPTIPGWOVLF-LIRRHRJNSA-N 404.573 1.784 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2C[C@H]1C[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365199602 PVXYGZXRUFJWEX-IDJSLIICSA-N 400.541 1.195 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H](CC)CNC(=O)OC(C)(C)C 2367826146 VWNZEKQEPKSMOZ-ARFHVFGLSA-N 402.557 1.457 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](C)(C(=O)O)C1CCS(=O)(=O)CC1 2377811909 TVWXIMOUKOLJMZ-SFHVURJKSA-N 404.529 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)s2)(C(=O)O)CC1 2380429991 JRNGFKWNADDVDZ-UHFFFAOYSA-N 415.493 1.752 30 10 HDEE CCCCNC(=O)CSc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820561 NYJZISXDQWAECH-QGMBQPNBSA-N 423.455 1.882 30 10 HDEE CCOC(=O)c1cc(C)nc(SCC(=O)Nc2c[n+](CCOC)no2)c1C#N 104219233 IMODVOGLWCBGSV-UHFFFAOYSA-O 406.444 1.091 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)COCC)nnc12 138180627 XEVHPHZRXBNJHZ-ZDUSSCGKSA-N 401.492 1.864 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447781483 UIZZGRDISWQFGX-UHFFFAOYSA-N 421.526 1.533 30 10 HDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1C#N 460591391 NIQWVIDGKPWINA-UHFFFAOYSA-N 419.459 1.179 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cn1 462105467 VTLFOWXMYXDIQA-KRWDZBQOSA-N 402.418 1.851 30 10 HDEE N#CCN1CCC(CNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 464976754 ZWXWIAWTZODSJO-IBGZPJMESA-N 400.498 1.959 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469884338 MPWCRKVDZGVFBQ-MYZZLAAOSA-N 424.457 1.563 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)ccc1F 473453396 IAJQJGNDSKLREE-IRXDYDNUSA-N 417.418 1.402 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CCN(Cc2ccccc2)CC1 479270701 FEMJOYKVUXHEEH-QIJZPMMNSA-N 418.497 1.468 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H](N2CCCC2)C1 481785851 VCSRHZRUEBWWST-WMZOPIPTSA-N 404.536 1.702 30 10 HDEE N#Cc1ccccc1OCC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501526458 BIUHFCNHFOPRNZ-PMACEKPBSA-N 404.470 1.652 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC(CNS(C)(=O)=O)CC2)cc1 510224640 AFGVDKJYPDPFAN-UHFFFAOYSA-N 422.551 1.593 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 510648483 RKACTGFUMGVWGT-AWEZNQCLSA-N 421.425 1.795 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)cn1C 540336052 WDWOPZUEIFAJJS-UHFFFAOYSA-N 415.519 1.500 30 10 HDEE C=CC[C@H](CO)NC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 545367691 FZJIZLOXFXIYFC-FGTMMUONSA-N 417.506 1.907 30 10 HDEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCN(c4cccc(C#N)n4)CC3)n21 545505599 SXEAKUIBYBCEQM-UHFFFAOYSA-N 414.473 1.479 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 553912689 FUHDQLYGBYDJFV-UHFFFAOYSA-N 424.501 1.758 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 555268104 GESJVDHCUYQBQT-MSOLQXFVSA-N 402.543 1.637 30 10 HDEE CCC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 581571167 BZEZDWWBVCHQLP-HNNXBMFYSA-N 408.524 1.443 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)c2C#N)C1 586298031 CMQDYSURMOIRCD-JWNZJDHWSA-N 406.533 1.804 30 10 HDEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 586860253 AHHIHLYQOPQKNU-AWEZNQCLSA-N 417.462 1.601 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604022915 IVPLRLCFACUBCO-UHFFFAOYSA-N 413.503 1.143 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 617477403 AMJJHMFACDRMEE-OAHLLOKOSA-N 406.489 1.548 30 10 HDEE C#CCN(C[C@@H](CC1CCN(S(C)(=O)=O)CC1)NCC)C(=O)OC(C)(C)C 691247292 XLEBMCVENDOONA-QGZVFWFLSA-N 401.573 1.897 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 732419695 CRQFBQYYIJOYPO-FBMGVBCBSA-N 417.853 1.880 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C)c2=O)cn1 735069226 PFCSBLSZHLGWPE-UHFFFAOYSA-N 407.499 1.063 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C2=N/C(=C\c3cnc4ccc(C#N)cn34)C(=O)O2)c1 736456717 WMWMHEZEQYITHZ-MFOYZWKCSA-N 421.438 1.801 30 10 HDEE N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCC1 736842007 QWHDMWUTZYRWKM-VGOFMYFVSA-N 417.487 1.368 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC2CCC(C(N)=O)CC2)c1 746816849 UZLJRGHMASQBIO-HAVVHWLPSA-N 421.523 1.665 30 10 HDEE COC(=O)c1cc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)o1 747486419 VXTDFFNZCOKMHP-UHFFFAOYSA-N 420.443 1.937 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)ccc1F 752584444 QMTRZEIOOQDEPK-INIZCTEOSA-N 406.391 1.677 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)c1 756201682 BRBQDOAVWMIIPV-UHFFFAOYSA-N 405.414 1.543 30 10 HDEE COc1ccc2c(c1)C=C(S(=O)(=O)N(CCC#N)CCN1CCOCC1)CC2 758455949 WTVWTTKWAKTLQN-UHFFFAOYSA-N 405.520 1.860 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)C1 758775937 XLHIPDFTXBZRSB-QKPAOTATSA-N 405.499 1.446 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCC#Cc3ccc(OC(F)(F)F)cc3)cnc21 771329131 SQRHXYVWXICLGO-UHFFFAOYSA-N 406.320 1.624 30 10 HDEE CN(C)c1nc(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ns1 771360058 AQNCQDJQPQRPBW-CYBMUJFWSA-N 414.447 1.424 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@]1(C)c1ccccc1OC)c1cc[nH]n1 772301894 FUDVRRFHYADDIS-OXQOHEQNSA-N 400.435 1.549 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(OCCCC)cc1)[C@H]1CCS(=O)(=O)C1 772700045 HIPGMXPGWDTKGD-KRWDZBQOSA-N 406.504 1.244 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2nc[nH]c2C1 772812500 KCYICMGSBQJCCN-GUYCJALGSA-N 415.519 1.537 30 10 HDEE COCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 773723790 RBJSPZWIBKVNFU-YQQAZPJKSA-N 405.520 1.779 30 10 HDEE C#CCN(C(=O)NCc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 774182245 YAVPGCOCOBDPMC-CQSZACIVSA-N 403.273 1.920 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 775573493 KJIBOZMKRQKSTD-UHFFFAOYSA-N 417.535 1.605 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cccc(F)c1C#N 778543696 CNTTYSVNDRDGGY-UHFFFAOYSA-N 404.442 1.849 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cn1 784126687 ZNKNXFMUYSNEKW-HNNXBMFYSA-N 416.511 1.185 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)NC3CCN(C4CC4)CC3)CC2)o1 796285684 RTKWWQNZLGVNBD-UHFFFAOYSA-N 415.494 1.357 30 10 HDEE Cc1c(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)nnn1C(C)C 796963408 KXKPIXVNIAEHLG-UHFFFAOYSA-N 412.269 1.920 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCC3CCC(C#N)CC3)cc2S1(=O)=O 799387851 QFBBMWBOMZKVOV-UHFFFAOYSA-N 405.476 1.537 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 800641455 WKGPXFCBOGLNBJ-UHFFFAOYSA-N 419.485 1.941 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1)[C@H]1CCS(=O)(=O)C1 802349878 YFLMVAXRVUENDE-GJZGRUSLSA-N 423.466 1.159 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 1084237815 ZKCCVLVAZRMBDM-UHFFFAOYSA-N 414.451 1.121 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ncc1C#N 1124381100 RRSHTTKKXMAPQV-UHFFFAOYSA-N 406.414 1.687 30 10 HDEE COCCOCc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1F 1124724216 MIYIYADXYSTFED-UHFFFAOYSA-N 403.414 1.672 30 10 HDEE CC[C@H](Sc1nc(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cs1)C(N)=O 1129494129 QDDBGMGBYKCVFP-AWEZNQCLSA-N 415.500 1.899 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1 1129829478 AGXPUUVHRUSMBH-QGZVFWFLSA-N 418.519 1.496 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)N3CCCC3)CC2)CC1 1135968715 GQGLRGBBLSVNLI-UHFFFAOYSA-N 418.538 1.997 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](C#N)c1ccc(F)cc1 1141303987 IQTPUXUVJDJVDT-LSDHHAIUSA-N 413.471 1.835 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1141422986 GBIZMIHJOKPYRR-UHFFFAOYSA-N 424.931 1.892 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1141500285 CYPFCNJNYFFVFN-GJZGRUSLSA-N 416.540 1.841 30 10 HDEE N#C[C@H]1CN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCO1 1143946683 QIGAQHOTTRFRIG-ZDUSSCGKSA-N 401.282 1.754 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1144699139 VMHCBVQHENAPSF-UHFFFAOYSA-N 407.474 1.458 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)c1 1157423404 JMOLYWWZZGIAEM-GOSISDBHSA-N 418.544 1.652 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1162679182 FMCVTXDGRBPJJZ-LKCYJCQHSA-N 405.520 1.742 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)C[C@@H](O)C(F)(F)F)c1 1164040422 WDZJOLNEEXMOBE-CQSZACIVSA-N 410.414 1.163 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccccc2)c2cccs2)c(=O)n1CCO 1166714813 ZNCHOADZOUWMSD-LJQANCHMSA-N 424.482 1.150 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](O)c1ccncc1 1169737046 VDSMOAYEUOGSGI-UONOGXRCSA-N 408.336 1.762 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C(=O)c2ccccc2O)CC1 1187316656 BMZSASHUXGZDNU-UHFFFAOYSA-N 403.435 1.858 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CC1 1199315978 QTDMERNDPMTTBZ-UHFFFAOYSA-N 400.479 1.387 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1208089248 CXOFFQJGUBSNEJ-GFCCVEGCSA-N 423.315 1.780 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1218288242 KYYUJDYIKVELDH-UHFFFAOYSA-N 419.507 1.353 30 10 HDEE C#CC1(O)CCN(C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1221901063 GAKZLCVIBOFCAI-UHFFFAOYSA-N 415.490 1.478 30 10 HDEE C#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1 1222989885 HIALJMWKYNIRSS-UHFFFAOYSA-N 401.488 1.592 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Oc2cccc(OCC#N)c2)cc1 1275693106 UBEZYIVVLHREQA-UHFFFAOYSA-N 402.428 1.670 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1286297986 DWEBWTWLOVZCOU-DOTOQJQBSA-N 408.510 1.189 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1286428588 DHXUKQWBACZCIL-IAGOWNOFSA-N 405.458 1.532 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCOCC2)CC1 1286490851 USRCDDBNHORYNK-UHFFFAOYSA-N 414.554 1.234 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286503873 KJHRHKRQURLNAZ-IEBWSBKVSA-N 412.563 1.863 30 10 HDEE C=C(C)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599478 VRFMDPNFGILPLO-VQIMIIECSA-N 412.556 1.908 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286607383 OWOZXCQLXRLVCG-JXFKEZNVSA-N 402.499 1.656 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1288999591 OZDDQDWHNKSWON-ROUUACIJSA-N 424.505 1.543 30 10 HDEE N#Cc1cn(CC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)c(=O)nc1O 1290340816 FYFJIOSVIAQWGX-UHFFFAOYSA-N 401.854 1.255 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CCOCC1 1291949891 OCXSITQRQBYCRR-DWIKVQACSA-N 400.519 1.870 30 10 HDEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cs1 1292694658 IDNUFIVHLFJJPI-CQSZACIVSA-N 403.512 1.407 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1298947375 CFWRZBQAYDQFPD-UHFFFAOYSA-N 411.466 1.998 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)cc1 1299379803 OKWQZBLGOJXCBA-KRWDZBQOSA-N 415.471 1.449 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(C)(=O)=O)cc1 1300280059 FLBVYHPZPAGXRW-GOSISDBHSA-N 423.470 1.352 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1300308308 AEDUHQVXVGFLDQ-LIRRHRJNSA-N 418.457 1.791 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CC(F)(F)F 1300327271 AEMYVPAKKBZYIR-ILXRZTDVSA-N 403.449 1.954 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1ccc(OC)cc1 1300429837 DHYJRWQRDYXVJC-HOTGVXAUSA-N 419.551 1.845 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300488715 UTVWCMWREBSFBV-WMZOPIPTSA-N 417.535 1.638 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1300756365 KNNOIQUGMXQQLA-LBPRGKRZSA-N 407.931 1.619 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)OC 1301002042 CEMAWRKZEDROSF-BZSNNMDCSA-N 410.478 1.193 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1301187781 BVPKCVAURLOIRZ-HZPDHXFCSA-N 410.544 1.706 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301228923 APRCCAJBURYLRS-AWEZNQCLSA-N 402.524 1.903 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301490950 AAPNDPQVSCUVKQ-OAHLLOKOSA-N 407.478 1.176 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301501550 ZDLYQWTYASAREU-BTYIYWSLSA-N 415.469 1.321 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCSC3)C2)nnc1[C@]1(OCC)CCOC1 1301519474 OXUGDJQREUUTEM-UXHICEINSA-N 421.567 1.566 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)C1 1301556287 GRRCZYPKTKVYEF-WBVHZDCISA-N 415.498 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1301569145 QSPSGOOYWBHVPC-UHFFFAOYSA-N 406.556 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@](C)(CC)C1 1301585895 GQLQARQJCHVTTM-HXUWFJFHSA-N 419.551 1.870 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1302034492 MQNNJQUROPWMLD-OALUTQOASA-N 416.522 1.705 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1302193844 HALNEMHXEVIBBO-GOSISDBHSA-N 422.493 1.598 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1C[C@@H]1C 1303844260 PTEDDJZBOJIUFW-ZIBATOQPSA-N 417.495 1.004 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(C4SCCS4)cc3)C2)c(=O)nc1O 1305589323 GPXYIUQJVCXYTA-UHFFFAOYSA-N 400.485 1.996 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cs1 1306036483 DPVHSBSTDQMGPK-OLZOCXBDSA-N 408.553 1.986 30 10 HDEE CCc1nnc(N(C)Cc2scnc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1306076673 BHQMKHQNBZNMTN-WUKNDPDISA-N 401.496 1.768 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCCS(=O)(=O)c2ccc(C#N)cn2)C1 1308078237 LRYLARBCSPNXJC-LJQANCHMSA-N 424.523 1.079 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1309389980 HYNLPSIEWIHHLO-NSHDSACASA-N 417.285 1.586 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1314673975 DHUQHEHZRNHROC-UHFFFAOYSA-N 413.507 1.448 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C[C@H]1OC 1316331534 RUXBYWBXNLNHNY-UEXGIBASSA-N 413.478 1.472 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 1349705876 CJJYSOSZKDRIKS-UHFFFAOYSA-N 404.879 1.682 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1358950130 XUVVMIVMWIRHOM-MRXNPFEDSA-N 415.498 1.438 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1358951800 MJZJQTUWOXXVHC-UHFFFAOYSA-N 404.474 1.684 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1358957254 RTCZTDNNZYYFDC-AOIWGVFYSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962220 MHMOFCOTSVEOHL-GOSISDBHSA-N 407.584 1.901 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1358962932 ZGKMSHZBRBUCGD-KRWDZBQOSA-N 418.494 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCOC[C@@H]1OC 1358982770 KAFALRFEZYHMHG-NQIIRXRSSA-N 424.501 1.990 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2=CCCOC2)CC1 1359045016 UODRDUVRCNJPHO-LJQANCHMSA-N 413.522 1.485 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2snnc2C)CC1 1359045795 UJUFCMHYKCLCKB-UHFFFAOYSA-N 401.540 1.651 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1359492082 ALKNQPHLPIJFJD-QGZVFWFLSA-N 407.478 1.708 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)cn2C)cc1 1436301064 HOYQFTSMVKPYOE-UHFFFAOYSA-N 403.504 1.998 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C3OCCO3)CC2)s1 1442672595 YPLWCFZSTQIFBX-UHFFFAOYSA-N 400.522 1.366 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1443909364 JDEQAWNNHRNKTE-LLVKDONJSA-N 406.489 1.888 30 10 HDEE C=C1CC(C)(C(=O)N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1444729512 OJAYJSLSOFQMRB-UHFFFAOYSA-N 413.540 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)[C@@H](C#N)C1 1445370227 KUQBFTDBXRELFP-MJBXVCDLSA-N 421.416 1.942 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OC 1454716496 KMLZGVJNVJFRRY-INIZCTEOSA-N 419.503 1.959 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OC 1455837159 PUYJTJSSGOHYGT-BTYIYWSLSA-N 417.462 1.476 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2)c(F)c1 1456708992 BDFYFMDONADVSK-BULFRSBZSA-N 401.482 1.897 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)N(CC)CCC#N)[C@H](O)c1ccc(Cl)cc1 1464107980 DQNQSVOLWGMGLR-HUUCEWRRSA-N 403.888 1.375 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1464955750 RQHNQUQHSMGTIH-HNNXBMFYSA-N 409.508 1.766 30 10 HDEE COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466901778 KWLJVISSEDPFFG-WOVJRVSISA-N 421.494 1.298 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc3c2CN(CC(F)(F)F)C3)c(=O)nc1O 1467234970 FNLSLGNDSFMZQM-UHFFFAOYSA-N 407.352 1.727 30 10 HDEE CCN1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1470255764 QQLLQSFEHIBXDT-HNNXBMFYSA-N 409.494 1.487 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)CC1 1470890472 WBLMWZBTVKBTMU-FQEVSTJZSA-N 404.536 1.149 30 10 HDEE COc1cccc(-c2nc(C)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)[nH]2)c1 1472371933 YMNJFJPVDLJMCM-UHFFFAOYSA-N 406.402 1.225 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H](C)COC 1473637631 JKZHSPABKPANGJ-GOSISDBHSA-N 409.552 1.184 30 10 HDEE Cc1oc(NC(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c(C#N)c1C 1473798934 IBHOYYABBHNAPF-INIZCTEOSA-N 405.480 1.302 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1475591136 MWUBXXHGXDJRSS-UHFFFAOYSA-N 406.526 1.715 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 1479313405 NHQOYWLJTWVLBO-KRWDZBQOSA-N 401.486 1.189 30 10 HDEE C[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1493829256 IRXYOPOCELRWBJ-FZFLATATSA-N 407.478 1.779 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1507623729 WGUUKRDXTVZQEV-DNVCBOLYSA-N 422.576 1.997 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1507628129 UZYFIZGJSAYPGX-OAHLLOKOSA-N 418.475 1.021 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC)C1 1507644118 DLFHJTNZVDHTPH-GOSISDBHSA-N 415.505 1.335 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(CC)CC)CC1 1507717172 ZSTMQLVLFOCBIL-SFHVURJKSA-N 424.553 1.411 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1507797513 DKWYMCCQNVKOQQ-RKVPGOIHSA-N 404.515 1.171 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCOC)CC1 1507900845 XDYFRMUZSMQOML-UHFFFAOYSA-N 424.509 1.986 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508115881 DTBRUHPKTSOJLZ-RDJZCZTQSA-N 403.508 1.556 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)CCOC1 1508413797 VWUFGXBOIJZROD-LVCYWYKZSA-N 420.558 1.635 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1509949823 COKMISATXHFAQD-AWEZNQCLSA-N 417.539 1.793 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CCCS1 1510187970 BFGPUSZHACNRRX-VBNZEHGJSA-N 416.548 1.616 30 10 HDEE Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)cc1 1510995913 ZOMVARHHHGFBMR-LJQANCHMSA-N 411.445 1.684 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1516179090 ATYXOLUZTSMNSI-UXHICEINSA-N 422.505 1.534 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1517701404 FKUYMPWWKMITHO-KRWDZBQOSA-N 412.450 1.121 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1518914628 MGDMREYBJKILBS-LAUBAEHRSA-N 410.478 1.147 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2C[C@H]2C)CC1 1519243726 IKOQCDIVZJNAGF-APWZRJJASA-N 423.521 1.282 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)nn1 1524541739 YUQXCRHQDWZUPR-UHFFFAOYSA-N 406.512 1.813 30 10 HDEE N#Cc1c(NC(=O)c2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ncc2c1COCC2 1529422456 DXGBRIOZHMKAFG-MRXNPFEDSA-N 405.458 1.980 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1536221290 UOPUKWYRUZEEHK-HXUWFJFHSA-N 423.535 1.183 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1537488519 NZDZGFNQUYMBHA-HXUWFJFHSA-N 419.503 1.130 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539232377 AKJOYJUMXDNNBO-UHFFFAOYSA-N 410.522 1.903 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(=O)NC1CCCCC1 1539415171 AAANQBLLEHGLOG-QGZVFWFLSA-N 403.527 1.707 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nnc(C)s2)CC1 1539429989 FNTMYKWXTRXOGC-OAHLLOKOSA-N 419.555 1.160 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)CC1 1539612525 NABYBXCAAHQCIE-DLBZAZTESA-N 404.515 1.066 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@@H](C)C1 1540072013 JAWFRGFKJIBNIK-XHSDSOJGSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)(C(=O)NC)C1 1540868098 RVRJATMRHPEHPV-FQEVSTJZSA-N 416.913 1.863 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCC(CO)CC1 1540874648 NMTUBBISSMSSLV-UHFFFAOYSA-N 413.522 1.985 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1541292612 HHOWJJOBRJTVTK-XLIONFOSSA-N 417.535 1.847 30 10 HDEE CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1541411866 FEIOIWANBGVQDW-OXQOHEQNSA-N 405.522 1.932 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nncn1C 1541471990 UFPZHHYMCOUKRR-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)c1cccs1 1541954175 DFWSGWHEIHFKOG-HXUWFJFHSA-N 408.487 1.722 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnnn3CC2)cc1 1544462973 MXOCTFMRZYHHIW-NGFMMCKOSA-N 417.495 1.077 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1546713890 PXLOFELSKLDKIT-HZSPNIEDSA-N 422.511 1.405 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1548315863 AZTADNGLUFKZDN-CYBMUJFWSA-N 410.887 1.157 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@H]2CCCN2CCCO)cc1 1555988546 GKHHBHUWRWKUBQ-OAQYLSRUSA-N 424.549 1.872 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOc4ncccc4C3)C2=O)cc1 1556111652 FOJDJCBCLONLLB-QGZVFWFLSA-N 405.414 1.579 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 1560192179 WUBIXUQOEKWXFO-HXUWFJFHSA-N 423.535 1.684 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1562173181 ZHDHDFJCMMLUEK-HNNXBMFYSA-N 409.508 1.766 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(C(=O)OCC)ccc1I 1563179250 XKMHQGQPISQLJM-LLVKDONJSA-N 416.215 1.974 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)C1 1569676252 QIMMMEWJLOFUPI-VBQJREDUSA-N 409.508 1.463 30 10 HDEE Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc(S(C)(=O)=O)c1 1583138414 ADORCJADXKBMCZ-UHFFFAOYSA-N 421.500 1.843 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCO1 1585426478 YOJWYCCVODNRCG-FGZHOGPDSA-N 406.442 1.748 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1586915711 YJZIZPRFHWOJDH-UHFFFAOYSA-N 414.506 1.574 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1587023096 VTCRUVTYCUCDMO-VBJSVSMTSA-N 416.522 1.899 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1587749421 HEIWGJZEUDHUTH-UHFFFAOYSA-N 405.510 1.907 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1587758510 AYAUEBMKOHZYLF-WWMYMODYSA-N 401.511 1.807 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1588054140 KVEDFFLXAJERHM-ZWKOTPCHSA-N 424.567 1.699 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1 1588140394 WKUKUDZWWZVQPQ-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1588292949 HTOZCERJEHEWOD-QGZVFWFLSA-N 411.506 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1588923774 LVWHYLLGXLWCBW-OIISXLGYSA-N 416.501 1.333 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOC(C)(C)C)CC1 1588930328 SRPPDWUQHQDOAE-KRWDZBQOSA-N 403.527 1.563 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1589482059 FMZSKOHEJAHUGQ-VSZNYVQBSA-N 403.527 1.702 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1594438457 UMGINQYBFVIQPZ-IAGOWNOFSA-N 409.556 1.956 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1594784181 SYYRTKJFICPGIZ-UHFFFAOYSA-N 401.515 1.785 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1594807745 YNFMZUGYRSYKEU-UHFFFAOYSA-N 411.510 1.777 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCCS1(=O)=O 1595283600 VDCJLWUXUYSFGV-UHFFFAOYSA-N 423.514 1.759 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1 1595537346 PQWDEFVQOSBNMM-QGZVFWFLSA-N 411.510 1.104 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1595602290 IXECDQXHBXFTBF-QMTMVMCOSA-N 409.556 1.563 30 10 HDEE C#CCC1(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CCOCC1 1596539706 UMXLBCSZVMYUFW-MRXNPFEDSA-N 407.511 1.438 30 10 HDEE COc1nn(C)cc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1606673017 WVURJBXFLZOVRE-UHFFFAOYSA-N 404.268 1.815 30 10 HDEE C[C@H](CC(=O)NCCCCc1ccnc(N)c1)/N=C1/NS(=O)(=O)c2ccccc21 1608285422 WLAIPZHADZZRSJ-CQSZACIVSA-N 415.519 1.620 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)CCOCCN2C(=O)c3ccccc3C2=O)c1 1615200712 JRNDEFNGAHKUMG-UHFFFAOYSA-N 405.454 1.851 30 10 HDEE COc1c[nH]c(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cc1=O 1621093854 IYUIWHYDGRHQAU-UHFFFAOYSA-N 406.446 1.694 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1623682945 XWWWHKMTXFZLQC-HUUCEWRRSA-N 415.918 1.918 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1625082243 CGXJZHLNCCMAIT-ZACQAIPSSA-N 400.504 1.855 30 10 HDEE COc1cc(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)ccc1C#N 1625924566 IZQNGKDTMHQBBM-UHFFFAOYSA-N 404.470 1.914 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)C[C@@H](C)O1 1626926022 BOBPOOCAQJHSHG-BETUJISGSA-N 420.516 1.743 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1627102895 QNGOAHHTKZFIDP-QGZVFWFLSA-N 422.526 1.326 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](Cn3ccnn3)C2)C1 1629101349 NOWBATJAUUUOQY-CYBMUJFWSA-N 415.295 1.897 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1629623081 GHVBJTSOIJELFQ-DOTOQJQBSA-N 415.519 1.376 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C2 1631763877 NXBCJNSQDIRCAH-UHFFFAOYSA-N 412.471 1.198 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CCO1 1633118461 NIPUBSVTALCJDM-IBGZPJMESA-N 408.458 1.907 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1Cc2ccccc2CO1)/N=C1/NS(=O)(=O)c2ccccc21 1633926179 ZRGVYIIOPWMPEU-PBHICJAKSA-N 413.499 1.761 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCCCNS(=O)(=O)c1ccccc1Cl 1634724317 DVKJIDBXQYVAMD-OAHLLOKOSA-N 413.927 1.880 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1634845459 SFUJALBZRCBOPQ-NUJGCVRESA-N 409.527 1.990 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)c1 1635585727 FUGDPDSLPMEFBB-CYBMUJFWSA-N 403.386 1.276 30 10 HDEE C=CC[C@]1(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)CCCN1C(=O)OC(C)(C)C 1636390669 OUOHYDMMWZYYQU-FMIITAFCSA-N 417.462 1.302 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)COc3ccc(C#N)cc3)CC2=O)C1 1636831387 YEWAPDHFUVCQSU-HNNXBMFYSA-N 414.462 1.273 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1637862073 FCKDPMYUXLRSAD-HNNXBMFYSA-N 401.529 1.081 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cccc(C(=O)OC)c3C2)cc1 1639876286 FTWUZJUBVJJCIX-UHFFFAOYSA-N 412.467 1.583 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(I)ccc2N)CC1 1640589120 TYCYFUDPALXSMF-UHFFFAOYSA-N 413.215 1.792 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC1=NNC(=O)C1 1641916608 VZDZDDKBGQPODX-HNNXBMFYSA-N 419.507 1.056 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNc3nnccc3C#N)CC2)cc1OC 1642269710 FWRBARCHYKNZCS-UHFFFAOYSA-N 417.491 1.878 30 10 HDEE C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC2(CC1)CC(=O)C=CO2 1648474035 XSKYTTCKWDKYAB-INIZCTEOSA-N 400.475 1.843 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@](C)(C#N)C1 1652916063 FSNGXSRRDLZJNI-PBHICJAKSA-N 415.512 1.367 30 10 HDEE C[C@H]1NC(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)=NN(c2ccccc2)C1=O 1652920272 XQWWZIAFMVYAHY-BEFAXECRSA-N 403.442 1.797 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1654346592 WYSRTKCPZCDJFW-UHFFFAOYSA-N 419.547 1.568 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN[C@@]2(CO)CCCN(Cc3ccccc3)C2)nc1 1655556908 GSLBRVZWISFNIM-NRFANRHFSA-N 414.531 1.344 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)cn1 1655958680 QTOBZCMFJHRAEG-UHFFFAOYSA-N 408.549 1.761 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)cc1 1661919186 MYINJURPRVNVNH-HNNXBMFYSA-N 404.492 1.655 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 1662631789 QUGCUGAIYDAJLM-JSGCOSHPSA-N 404.510 1.326 30 10 HDEE C=CCOc1c(Br)cc(CNC[C@@]2(CO)COCCN2C)cc1OC 1663293008 XBRSAMOJHJZSTN-GOSISDBHSA-N 415.328 1.805 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1665501356 SJIICZGODSDQDD-HNNXBMFYSA-N 419.544 1.660 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 1669291433 VAHNQHZEHLGPLA-UHFFFAOYSA-N 420.512 1.618 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nnc(C3CCOCC3)s2)n1 1671897316 BRVHQMDNOUTUPE-UHFFFAOYSA-N 404.496 1.942 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1673203805 YUQUVMLCLFIPNK-UHFFFAOYSA-N 402.495 1.126 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C3CCOCC3)c2)CC1 1674062152 FFXJRMKLSBWAQT-UHFFFAOYSA-N 406.508 1.198 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1684301050 ZOXDKZCVTZBFCF-INIZCTEOSA-N 411.499 1.706 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1686428504 CFWMUORLUJVGFM-UHFFFAOYSA-N 416.503 1.705 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)NCC2(C#N)CCOCC2)C1 1687830229 TYGUOWDGQOYTNE-MRXNPFEDSA-N 410.515 1.710 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2ccc(C#C)cn2)CC1 1689682362 FWDDBWWWWXPEIE-NGVUMRSOSA-N 403.482 1.553 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1689965784 CXWCAZJDDRLWDD-OXJNMPFZSA-N 400.504 1.084 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCCN1CCOCC1 1689973705 MOALXHQZKAOENY-UHFFFAOYSA-N 416.551 1.451 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCS(=O)(=O)C1 1689975185 NJLCURAQPZVJGA-MRXNPFEDSA-N 418.519 1.760 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1690003352 LDKGWNNRVHGSTR-QHCPKHFHSA-N 421.501 1.539 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1690019953 VQFMWPWMHLUPIM-QGZVFWFLSA-N 403.552 1.127 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)COC)CC1 1690110687 WEVURCOGRIHLEC-UHFFFAOYSA-N 404.559 1.624 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690488625 QVAJWVUPTHUVSV-UHFFFAOYSA-N 423.521 1.157 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1690648203 OGQBNYIRTWLYPG-AWEZNQCLSA-N 418.523 1.431 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690668067 REHJFIGZOOQLHW-MRXNPFEDSA-N 408.466 1.718 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1696021658 CHCXKGHGRXFHTG-HNAYVOBHSA-N 406.487 1.368 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cn(C)nc1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 1705562094 XSHUPHPXHSABRN-IBGZPJMESA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1705576939 UJIFKTFCLWBDSA-UHFFFAOYSA-N 415.519 1.039 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1705584334 GSFBVTBTBLVQCH-UHFFFAOYSA-N 404.474 1.131 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1705747076 DPGRVWXCKMBCSQ-JSGCOSHPSA-N 413.935 1.716 30 10 HDEE C=CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1705809564 VLWBWSKCYFIKBV-VQIMIIECSA-N 412.556 1.910 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)C1 1705924062 ACXYDRSJZQEVNH-ZIAGYGMSSA-N 424.552 1.170 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@@H]2C)C1 1705928883 IOCAHHVCARKWMN-RCCFBDPRSA-N 403.527 1.854 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2OCCC2(C)C)C1 1705929746 WXHLFDNMODNEAW-IAGOWNOFSA-N 403.527 1.997 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1712169212 QWSCIACUEQBHMM-MRXNPFEDSA-N 409.487 1.672 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCn1cncn1 1712442674 FVRFLDRICMIVJD-LJQANCHMSA-N 422.493 1.946 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1712616126 UFAIVQGXOXHQAK-RTBURBONSA-N 424.505 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1722275923 GEPALVULWHQPFG-DENIHFKCSA-N 419.570 1.889 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722288344 YWUIANYGUIGCRM-AWEZNQCLSA-N 406.483 1.482 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722350199 PQMYNUMOQRHCEP-UHFFFAOYSA-N 408.466 1.059 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N(C)C 1722379868 ORELDFWCRROFSH-UHFFFAOYSA-N 406.309 1.930 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1722466938 IUEHDWMEEHANJU-JXXFODFXSA-N 420.583 1.365 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1722469833 HPTFLPCGALWQPH-HRAATJIYSA-N 409.494 1.222 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722469834 HPTFLPCGALWQPH-IIBYNOLFSA-N 409.494 1.222 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1722476577 AWSLJLCVRCJMRM-LBPRGKRZSA-N 413.320 1.417 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1722552876 XGCDKAXUKKADTO-UHFFFAOYSA-N 418.929 1.995 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722618849 VYTLECOYQHQAAA-CABCVRRESA-N 415.585 1.519 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1722624482 DJCXWEMMMQTLOK-HXUWFJFHSA-N 416.482 1.300 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722726246 ZTECHNAXSAAMOH-VQIMIIECSA-N 412.556 1.777 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccncc1Cl 1723912115 IPTQSSCLPMCYEH-VXGBXAGGSA-N 411.919 1.723 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2OC)c1 1730232327 FXLUSSXCTRDFCW-BHIYHBOVSA-N 413.478 1.734 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCOC1 1730941484 FRIUXUYJUBBRKW-FTRWYGJKSA-N 405.499 1.284 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1740535041 MZSQPPASIRLVMG-JKSUJKDBSA-N 407.515 1.938 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1740600639 PYPVWAXWQNVYDT-KNQAVFIVSA-N 419.570 1.745 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1740614567 WBQPFKAYHUFKNY-QFIPXVFZSA-N 409.490 1.946 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCOC1 1740630422 IYMIDWWVWSYLFM-KRWDZBQOSA-N 412.515 1.848 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC[S@@](=O)CC 1740676023 NTIPIGNNTZSOSC-LJAQVGFWSA-N 419.526 1.964 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CC1 1740698021 MUKBZSMRCXKIQT-UHFFFAOYSA-N 423.565 1.132 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OC)CC1 1740699163 WNRZLXAJPORHPV-UHFFFAOYSA-N 408.506 1.213 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1740701806 CVZCDLLKGIYRKG-GOSISDBHSA-N 416.570 1.336 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740715025 QWAVXUOGGAAXLQ-GOSISDBHSA-N 412.563 1.865 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(C)c1C 1740757632 QLXJLWMGHRFJOT-WDYCEAGBSA-N 413.526 1.889 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1740885712 MMRDENSYUWRMHA-INIZCTEOSA-N 404.515 1.271 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C)C1CC1 1740911244 YFHMGSLUPJJBSQ-CQSZACIVSA-N 409.556 1.640 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1740981215 VHFPOPBHYUSMRW-GOEBONIOSA-N 416.457 1.624 30 10 HDEE CC(C)[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1741131682 HBNZKOYFFIRTMS-FGTMMUONSA-N 422.599 1.896 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1747453263 QRGXIADKMCRQTQ-HGKJHCCASA-N 412.519 1.300 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748729778 ALRLCEWABAUIQG-FCHUYYIVSA-N 415.538 1.981 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1748811803 LQSMDXNYBFHCBI-MRXNPFEDSA-N 403.508 1.493 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748825296 XMNSWEFZMDEJOE-MRXNPFEDSA-N 406.483 1.629 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1749439780 JJBOCPSSEJFSFF-VQTJNVASSA-N 405.499 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749659151 WCJSGYSBNGZJMO-OAHLLOKOSA-N 413.438 1.418 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1751170828 FCPHPXDNCIGSDV-XOBRGWDASA-N 417.535 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1760110722 RSCCMIWPLIKDGR-OAHLLOKOSA-N 413.507 1.115 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC(C)C 1760168781 PKKYWHRPPKMCML-UHFFFAOYSA-N 412.519 1.891 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760201697 IPMOWXIMZSUABX-JKSUJKDBSA-N 414.510 1.605 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCc2ccccc21 1760208041 GMJFPHWOKIJYSB-ZCVJKFOLSA-N 420.513 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nccc(C(F)F)n1 1760251341 XUTGCKLVESGUPP-UHFFFAOYSA-N 419.436 1.262 30 10 HDEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCNS(C)(=O)=O)CC1 1760390508 IFEUJRVELSEFMQ-UHFFFAOYSA-N 411.478 1.853 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1760489205 PKPGEGHKYZIHKX-HZPDHXFCSA-N 409.556 1.883 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1760527912 MCPRPESPTPHTQE-IBGZPJMESA-N 402.405 1.740 30 10 HDEE Cn1cc(Nc2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)cn1 1767476102 FQVGTFXKHPXQKU-UHFFFAOYSA-N 415.479 1.355 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1848791516 USKMKVPWGRFPLP-AWEZNQCLSA-N 420.425 1.367 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCC2)cc1 1851586490 JDGCWRLWOHOJCM-QGZVFWFLSA-N 405.426 1.958 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)CCN2CCCCO2)cc1 1851656920 BLRMLEMGKQCILP-FQEVSTJZSA-N 403.479 1.599 30 10 HDEE N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)c1 1852160401 RDKDVNZTPSREMJ-UHFFFAOYSA-N 407.409 1.641 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C(=S)N=CN(C)C)c1ccc(F)cc1 1852983664 PQARBMFVFGEJOL-OAHLLOKOSA-N 414.528 1.848 30 10 HDEE Cc1ccc(S(=O)(=O)NC(Cn2cncn2)=NOCCN2CCCC2)c(C)c1 1853418140 XAAJTBILQRTOKA-UHFFFAOYSA-N 406.512 1.299 30 10 HDEE C=CCNC1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1853473866 DXVGPYLIRGUJAB-UHFFFAOYSA-N 410.540 1.459 30 10 HDEE Cn1cncc1C(=O)N1CCN(CCOc2ccc(C#N)cc2)C2(CCCC2)C1=O 1853643545 YUSLHTGYWMDREV-UHFFFAOYSA-N 407.474 1.968 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3noc(C)n3)C3(CCCCC3)C2=O)CC1=O 1853929406 GXJNSTFJIMBGRV-INIZCTEOSA-N 415.494 1.286 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC(Cn4cncn4)CC3)CC2=O)cc1 1854021613 MGJJITPELWRHHU-HXUWFJFHSA-N 406.490 1.480 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@H]2CCCO2)c2ccccc21 1854056556 WKEWLWCTBZYIAF-QGZVFWFLSA-N 411.439 1.806 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cncc(OC)c2C)C1=O)[C@@H]1CCN(C)C1=O 1854189146 GNGURZJUDMIKAK-ZWKOTPCHSA-N 414.506 1.639 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1=O 1854263657 XDWCHXMCBXTDRU-GOSISDBHSA-N 424.892 1.953 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCCN(CC(=O)N(C)C)CC2)CCC1=O 1855127383 VVJJPFBYMMJHLS-OALUTQOASA-N 406.571 1.450 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2C[C@H](CN(C)CCC#N)CC2=O)cc1 1855724396 DSPUUKPFJVIKPB-KRWDZBQOSA-N 405.520 1.770 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C(=O)C12CCCCC2 1856283247 ZBEQZBBCVYRIFJ-OAHLLOKOSA-N 402.520 1.840 30 10 HDEE Cc1cc(C)n(C[C@@H](C)C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)n1 1856290745 DGBFQAOVAUTFJA-MRXNPFEDSA-N 409.490 1.758 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CCN1CCCC#N 1857073645 XSQWOANIPAMOEA-UHFFFAOYSA-N 405.520 1.776 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2-c2ccco2)cc(OC)c1O 1874464956 MBKROJUZRGBTTB-UFWORHAWSA-N 403.420 1.721 30 10 HDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2c(NCCNC(C)=O)ncnc21 1875230827 PGBBZFMMVJEJBR-OKILXGFUSA-N 400.483 1.415 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 1984874513 PAIIVKFSKGLSAZ-ZWKOTPCHSA-N 417.506 1.995 30 10 HDEE C#CC(C)(C)N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2030271237 ZYQRFKRADNVDAZ-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE C[C@]1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCCN(C(=O)OCc2ccccc2)C1 2054405302 ZMDKKHWKCRWUCZ-HKUYNNGSSA-N 406.508 1.858 30 10 HDEE N#CC1CN(S(=O)(=O)Nc2c(Br)cc(N)cc2Br)C1 2108327989 OUVQVNGSVUTUHA-UHFFFAOYSA-N 410.091 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 2118167742 KBCPENMSQOBXPJ-SHZVTRLKSA-N 406.530 1.184 30 10 HDEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@@]1(C#N)CS(=O)(=O)N(C)C1(C)C 2151159456 BFOGEGIRXISHQP-SFHVURJKSA-N 402.561 1.881 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)CC1(C#N)CCOCC1 2174783233 ZXCRGZADKPUERQ-GASCZTMLSA-N 401.529 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 2183270659 IEQSQMYKLCSNGU-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NS(=O)(=O)N2CC[C@@H](C#N)C2)C(C)(C)C1 2189355288 GHOUVASVPUTCJC-NRRJATNASA-N 420.557 1.574 30 10 HDEE COCCNS(=O)(=O)N(C)Cc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237637610 UOGPWMKESVQUJE-UHFFFAOYSA-N 404.363 1.268 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247839419 XAQUSQXDNRGUAA-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258176730 XPULIPNIGLAZDM-DLBZAZTESA-N 408.476 1.477 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(C)OCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2267360920 YCMNOCNBHYGHRO-UHFFFAOYSA-N 411.329 1.726 30 10 HDEE CO[C@@H]1C[C@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281969624 NNNDTCMYKYIMSI-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CCN(CCS(C)(=O)=O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330977 IDQHZSUHYJXGDG-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE C[C@@H]1CC[C@@](O)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282335936 WJEJGXXCERAEDR-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCC[C@H]2O)OC1(C)C 2282338390 QXRNPCZYNHQTGE-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE COC[C@@]1(C)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282408072 FKLSSDABKDUYNA-QGZVFWFLSA-N 401.359 1.988 30 10 HDEE C[C@H]1CC[C@@H](CO)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282416185 RSOANFVEVLAHNQ-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CS[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508209 SLZMBKYWEUYETR-PWSUYJOCSA-N 401.363 1.200 30 10 HDEE CCN([C@@H]1CCSC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282832824 RYIGJBGWFOTTIW-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@H]3CCCC34OCCO4)cc2)OC1(C)C 2282834334 SKCOOWYATPQXGP-KRWDZBQOSA-N 423.340 1.701 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282850298 NECXXGYQLQPSGV-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cc(Cl)cs1 2282858183 SQEFYVFGGQGMCH-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H]3CCCO)c2)OC1(C)C 2282862381 BUSYSHVNFIDFJE-CQSZACIVSA-N 401.359 1.973 30 10 HDEE COCC1(N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282876292 AXAPVDJTZJAYOH-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE COC(=O)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876929 KQHMITHKBBZZCL-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@@H](C)C[C@H]1C(=O)O 2284399676 NCBPSRTYQUZGFO-ONGXEEELSA-N 401.315 1.592 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410911 FKGMEHJDPAXYNY-GFCCVEGCSA-N 401.315 1.080 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OCc1ccccc1)C1CNC1 2300227146 VHBACFUKHXHUOI-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300231160 SXZPNSBHJRPQSE-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C[C@@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365178593 KOIFTIJSBPDJKH-INIZCTEOSA-N 402.557 1.411 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2365200407 YEJMWYDQAQJMNX-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798453 ZPRBGMIVCCAOFU-UONOGXRCSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367798501 QZXQSXSQCKZVAX-ARFHVFGLSA-N 400.541 1.747 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2367814735 DWHANDWQIAQLAL-CLCXKQKWSA-N 400.541 1.211 30 10 HDEE CCS(=O)(=O)CNC(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2370024574 JBJCPZTUMSPESE-UHFFFAOYSA-N 422.765 1.892 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1 22993334 XLDGAUUEQXJMCI-UHFFFAOYSA-N 409.471 1.994 30 10 HDEE CCCCCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 196224609 VBBLQQKGCXXUQV-LSCFUAHRSA-N 411.528 1.473 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cc1 247694080 YIFKJODTKKPFHS-UHFFFAOYSA-N 420.441 1.781 30 10 HDEE N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 431046773 FARUSXAXEYIXPG-UHFFFAOYSA-N 420.520 1.401 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@@H]1CCCO1 440390301 ZXPANEOTEQMNLC-HNNXBMFYSA-N 415.515 1.410 30 10 HDEE COCCN1C(=O)CCc2cc(NC(=O)C(=O)NCC3CCC(C#N)CC3)ccc21 443338883 XEIYOVHAECUBIT-UHFFFAOYSA-N 412.490 1.997 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443342500 MTDMVGJLNJSRCY-UHFFFAOYSA-N 406.508 1.758 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cnc4c(cnn4CC(C)C)c3)CC2)c1C#N 471682167 FPEIBTJGZIKLHB-UHFFFAOYSA-N 406.494 1.963 30 10 HDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)CC3(C#N)CCC3)CC2)cc1OC 477571374 RLRFRNKMAJEZRB-UHFFFAOYSA-N 421.519 1.922 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 482170016 LNJQEUPVGXGEQB-RDTXWAMCSA-N 412.471 1.147 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2Oc2ccccc2)CC1 484759060 XWFPDDQXVZUWFD-DYXWJJEUSA-N 416.522 1.241 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485997551 BJWSNYYAZXPXDK-UXHICEINSA-N 419.485 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccccc2Br)CC1 487285821 JSESPMRSTDMRTD-AWEZNQCLSA-N 410.312 1.663 30 10 HDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 500530533 AAMNWKBXMYBBML-UHFFFAOYSA-N 406.377 1.877 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(Cc3cccs3)C2)CC1 522310109 ZNOMVXBKLVCQGE-GOSISDBHSA-N 419.595 1.590 30 10 HDEE Cn1cc(C(N)=O)cc1C(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 532292984 UVFJNQDIRFDTCH-MRXNPFEDSA-N 419.445 1.031 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(F)(F)F 540338837 HRKQIVODFKUBDM-CRAIPNDOSA-N 414.476 1.922 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cn(-c4cccc([N+](=O)[O-])c4)nn3)CC2)n1 546874852 KNHHYYMUDXHVQV-UHFFFAOYSA-N 404.390 1.405 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 549690553 VCKFKNWTCPDPAG-ZBFHGGJFSA-N 423.543 1.259 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 549692761 IOCOHTUWZIXNGQ-INIZCTEOSA-N 421.571 1.886 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 564384796 YUIGHFRWCHQNEO-NVXWUHKLSA-N 410.526 1.728 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 580012234 PZPGNUROYCLSRD-OAHLLOKOSA-N 420.535 1.236 30 10 HDEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 609121505 AAIRTUJTZJOFMI-LJQANCHMSA-N 424.407 1.926 30 10 HDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)C(=O)NCc2cn(C)nn2)cc1 611952285 WZPCNJMPFOJJGG-UHFFFAOYSA-N 406.402 1.743 30 10 HDEE C#CCN(C(=O)c1cc(Br)c2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 729336040 ZPDKDPAMGHWXPL-NSHDSACASA-N 400.250 1.440 30 10 HDEE C=C(COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O)C(=O)OCC 734022266 BITMUSCLZHPXKA-FZMZJTMJSA-N 405.856 1.030 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1cnc2sc(C)c(C)c2c1=O 734293488 XLIHIYGBAMELDU-UHFFFAOYSA-N 416.484 1.760 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 743727469 BWNVNNANBKVUQM-CYBMUJFWSA-N 417.556 1.972 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@]12CCC(=O)N1CCS2 744572449 GTVMCVRARZGVNF-XOBRGWDASA-N 417.487 1.939 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)C(=O)C1 748507452 GGXMWQSMZZXTLP-MRXNPFEDSA-N 418.519 1.117 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 751597098 RAJUXVAXXCQIGD-KPKJPENVSA-N 423.454 1.856 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757479566 REQJXPJKAGGMEP-XOBRGWDASA-N 422.437 1.479 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 757585743 AHGFKSBCKLQGMR-JYJNAYRXSA-N 422.551 1.953 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 758361601 MFCUJXQEFLXWDB-MRXNPFEDSA-N 413.544 1.533 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCC(=O)N(C)C)CC2)c1 761683666 KVFWRHHWXDBTTL-GOSISDBHSA-N 401.511 1.673 30 10 HDEE COc1cccc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1OC 766282148 NBEONYRKXSPFPA-CYBMUJFWSA-N 404.444 1.986 30 10 HDEE Cc1cccc(C2(O)CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c1C 768336796 IWXZNNQODZDMTQ-FMQUCBEESA-N 412.490 1.823 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N2CCOCC2)cc1)c1cc[nH]n1 770814406 ZJGYKGXSIVCBLW-UHFFFAOYSA-N 401.423 1.169 30 10 HDEE C#CCN(C(=O)NCc1nccn1CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 774241836 CFVDHLCCTRUDNW-LJQANCHMSA-N 414.531 1.848 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783958605 WCGKVGQDWMXLIU-UHFFFAOYSA-N 408.508 1.518 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1=O 785653625 QUENHISRBHMICD-NLWGTHIKSA-N 413.474 1.648 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CC(=O)N(C)C)c2ccccc2)n1 788898641 CJWPTEUXQVOXMU-FQEVSTJZSA-N 411.506 1.894 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1nc2c(s1)CCCCCC2 789515369 BXCAHYHBNIBBCW-NXVVXOECSA-N 417.491 1.383 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)c1 796551143 SODAHDUDBKDMOH-ROUUACIJSA-N 421.519 1.702 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCN(c2ccccc2F)CC1 803610709 MVIUDFIPZRLHLP-UHFFFAOYSA-N 416.478 1.603 30 10 HDEE Cc1c(I)cn(CC(=O)OCC(F)(F)F)c(=O)c1C#N 809967982 XZKJKPXLCNAQEH-UHFFFAOYSA-N 400.094 1.739 30 10 HDEE CN1C[C@@H]2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 816952385 JBNHCWULQNVNFH-RDJZCZTQSA-N 404.536 1.448 30 10 HDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917700403 QAWSZZZHVGDQMY-QGZVFWFLSA-N 413.503 1.685 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1128537514 AREVCJIBPDSOFQ-CABCVRRESA-N 401.525 1.621 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)c4nccn4c3)C[C@H]1CS(=O)(=O)C2 1134428987 KDPZMJHRZHDWHE-XHDPSFHLSA-N 409.265 1.107 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1140471714 PBGOEZIDOIFAHN-HNNXBMFYSA-N 422.503 1.650 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)cc1S(=O)(=O)NCC#N 1141429320 LKOCYOCCRIQFTE-QGZVFWFLSA-N 415.519 1.796 30 10 HDEE C#CCN(C(=O)c1cc(I)ccc1N)[C@H]1CCS(=O)(=O)C1 1142046982 SUEMPKJXOQCSLU-NSHDSACASA-N 418.256 1.136 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1148312733 BMBNVZGWJKFTJL-OAHLLOKOSA-N 422.279 1.547 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)s1 1150252718 XQFMJIUKHFFPBR-DYVFJYSZSA-N 416.590 1.926 30 10 HDEE COc1cc(N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc(OC)c1OC 1153845853 JWEKEPOEUFCIJH-UHFFFAOYSA-N 412.446 1.956 30 10 HDEE N#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1157963062 KOGZUISGTFXYQO-HNNXBMFYSA-N 417.443 1.263 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)c1 1158395928 XETJQTNUBKKPCF-UHFFFAOYSA-N 411.483 1.502 30 10 HDEE CCN(CCOc1ccccc1C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1162450685 FOSZMJYMPRVRCP-UHFFFAOYSA-N 401.488 1.961 30 10 HDEE CC(C)c1n[nH]c(CC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1164361875 FBGBVUURDXGEIJ-CZIZESTLSA-N 400.483 1.626 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)nc2)CC1 1175515094 RJCHRYVFGQOHAT-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 1213365918 IAOWAMQJGMACDG-RTBURBONSA-N 402.472 1.415 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1225979489 OYFQBNQMRIIBFN-IBGZPJMESA-N 420.535 1.703 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 1271757366 GZADPMZSOAHMSR-QGZVFWFLSA-N 409.284 1.525 30 10 HDEE C#CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@H]3C2)CCOCC1 1282299607 HYCMYTOFBVQBOV-FYBDHJHVSA-N 412.530 1.537 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1286361448 PEXKZDWPUHTYSL-LLVKDONJSA-N 405.509 1.011 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1286411511 WSBPAFITMYUMPZ-UHFFFAOYSA-N 414.469 1.249 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1COCCO1 1286423517 VKDRBPMTTMUQJC-NQIIRXRSSA-N 402.495 1.197 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286790284 PQKCXCYEQSJCEB-SFHVURJKSA-N 402.543 1.081 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286790419 RNBZDVBIVJTFLC-MRXNPFEDSA-N 414.535 1.434 30 10 HDEE C[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(S(=O)(=O)N(C)C)cc1 1289361702 JLDSUIOZLIUCFN-OAHLLOKOSA-N 406.504 1.905 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1293110630 CDGSGZFCTYEDET-CQSZACIVSA-N 405.455 1.069 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1300508976 BZPBECXQZRJZDB-INIZCTEOSA-N 407.540 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC2)CC1 1300726254 JMDHGRFVMRHNSE-SFHVURJKSA-N 408.506 1.266 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301186062 QPQRKKAAEFJSRU-MSOLQXFVSA-N 402.543 1.744 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)COCCO2)C1 1301566977 DNURNROJAPRJJR-NYUBLWNDSA-N 422.526 1.589 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCC=CO1 1302095829 XKPRKWGWDKECIM-BHIYHBOVSA-N 416.526 1.871 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)c1 1303112801 PHPKFUFZJSCNAA-INIZCTEOSA-N 400.504 1.897 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c(=O)n1CCO 1307388521 FGESAVKHSGJKQZ-NRFANRHFSA-N 424.501 1.620 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccncc1Cl 1316297913 RCTVAIWZYMRQAQ-ZOBUZTSGSA-N 418.885 1.828 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 1317962139 AVBHKJVIHPVPSD-UHFFFAOYSA-N 401.448 1.033 30 10 HDEE C#CCN(C(=O)NCCc1nc(Cc2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1351549728 NZRZSZFRTWBXBF-MRXNPFEDSA-N 402.476 1.035 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H](NS(C)(=O)=O)C(C)C)cc1 1354103778 FGYCRZVTMSDUKU-HNNXBMFYSA-N 403.526 1.005 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1358935076 WJSXSIIXJDZVEY-GOSISDBHSA-N 411.506 1.800 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C 1358989228 UPRLAKNORZRKGH-QGZVFWFLSA-N 403.494 1.334 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC(=O)N1 1359021599 UORRWSRSVAHKOD-OAHLLOKOSA-N 413.478 1.327 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C)C1=O 1359065184 KCIASUWPXNIRID-PWRODBHTSA-N 401.511 1.401 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1359098708 FBFRMPJXBUYOAO-IKGGRYGDSA-N 410.540 1.736 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359172962 PCKSJLQIAWXLKJ-QVKFZJNVSA-N 412.494 1.868 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCC1 1359280879 HWTUMDRHUIFZSY-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@H](F)C1 1359282075 QJIBVKDRWFOYTC-BZUAXINKSA-N 400.520 1.957 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)CC1 1359293460 QOEWGKIGSSYTDJ-AWEZNQCLSA-N 416.457 1.186 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1359335637 QJVCQNZNYUMEKM-APWZRJJASA-N 412.556 1.767 30 10 HDEE C#C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(Br)cc1 1450268535 CDZZBBLTJDOBAB-CQSZACIVSA-N 400.236 1.526 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@H](c2ccccc2)C1 1451487682 XWVRKSUATFLCLX-SFHVURJKSA-N 412.515 1.678 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCNC(=O)CC1 1451797294 BMPMOLOHYRQCNS-GFCCVEGCSA-N 410.268 1.883 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(C#N)CCCC2)c1 1452777885 RXMLDFWQDVNRDS-UHFFFAOYSA-N 420.535 1.647 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1470513548 IWFFUBLVUVLVJC-UHFFFAOYSA-N 404.419 1.768 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 1472907431 CYYSJYYIOQQTCX-QFIPXVFZSA-N 415.409 1.655 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(=O)(=O)CCC)cc1 1475467199 BQXUXFXKRPPTHU-UHFFFAOYSA-N 415.533 1.836 30 10 HDEE C#C[C@H](NC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)c1ccc(Br)cc1 1478896653 QAIDLFWCQZNPKI-JMSVASOKSA-N 424.295 1.879 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccn1C(F)F 1497084493 BJWURXTZWHBVEC-CYBMUJFWSA-N 422.440 1.565 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCC1 1504888711 ZETRODVDEHYHGI-IAGOWNOFSA-N 407.540 1.903 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507563311 DZNSKRKOLLQWGI-GBESFXJTSA-N 417.554 1.953 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1507573209 FKIRPKBAZLOYTM-QZTJIDSGSA-N 422.599 1.614 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1507603915 FZKTUXNSQUASLU-QFIPXVFZSA-N 418.586 1.416 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1 1507650164 CWYHMQJGMVHCEK-KRWDZBQOSA-N 404.536 1.950 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1507652343 HIQBKXVEZPQCDE-OAHLLOKOSA-N 400.483 1.217 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2cccs2)CC1 1507731273 FBLKWJUAOCISLP-UTKZUKDTSA-N 415.563 1.897 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1507774309 AVKWPIBRWWQDPN-UHFFFAOYSA-N 414.304 1.714 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCS(C)(=O)=O)CC1 1507897451 JEQDOBFSBVLZSG-IBGZPJMESA-N 412.556 1.767 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507897815 SQHZAFXKCQPQJG-UKRRQHHQSA-N 424.571 1.205 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507902194 CKUOPTHEDVJMIY-IRXDYDNUSA-N 416.526 1.127 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](OCCOC)C1 1508089316 WVESFSNDLHSQEN-MRXNPFEDSA-N 400.483 1.192 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)C#N)CC1 1515897590 IANJKPKCVCGESO-MOPGFXCFSA-N 410.570 1.886 30 10 HDEE CO[C@]1(C)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1517888360 CLUVAGUJAVQGJO-IFXJQAMLSA-N 419.507 1.698 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1519512115 IXBDAWRXMGQUIF-SFHVURJKSA-N 417.535 1.993 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCCCO)cc1 1521089901 MEWFKUHFPSTDBQ-UHFFFAOYSA-N 412.494 1.450 30 10 HDEE CCc1noc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 1527211048 FFKWYAOOXIYKNR-CJLVFECKSA-N 421.479 1.600 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(Br)c(C#N)c2C)C1=O 1529593350 ZRCNMTLZNLEEJK-NSHDSACASA-N 408.252 1.979 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1529660545 PDZDSGFYQMWZKH-VBQJREDUSA-N 406.464 1.946 30 10 HDEE C=CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)[C@H]1CCS(=O)(=O)C1 1530302296 BUCGSHKMMWMOFC-NSHDSACASA-N 407.414 1.176 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)c2cc(C#N)ccn2)C1=O 1537541173 ZVEHQVDWWJNESV-NRFANRHFSA-N 407.430 1.700 30 10 HDEE C#CCN(C(=O)CN1CC(=O)N(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 1538198836 LNXAZFWAGDIIAZ-AWEZNQCLSA-N 420.263 1.629 30 10 HDEE N#C[C@@]12CN(C(=O)C3=Cc4cc(Br)ccc4OC3)C[C@H]1CS(=O)(=O)C2 1538540543 YKCKWKJDSJPPKK-GUYCJALGSA-N 423.288 1.622 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539230826 LHLVUNYYIRYURT-BRWVUGGUSA-N 406.508 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1539331682 VZPFORLBGGSZLC-UHFFFAOYSA-N 410.522 1.122 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540171962 LACUGLNJLIRYFR-HXUWFJFHSA-N 420.510 1.736 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1540873456 YKUFJAPOQNKOPP-SFHVURJKSA-N 420.521 1.369 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540874245 ZFTFUHNVXQUXJC-SFHVURJKSA-N 402.543 1.618 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)CC1 1540898168 BNMRBFKUXQFAHR-UHFFFAOYSA-N 424.548 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N(C)[C@@H]1CCOC1 1540907507 YUZVOLNYLPPAKF-GOSISDBHSA-N 404.536 1.889 30 10 HDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1541990380 FRLWOZRUCCWDEW-KXBFYZLASA-N 422.555 1.541 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1544030571 JILVJCKTJBNOQJ-VOTSOKGWSA-N 420.531 1.823 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c(C)s1 1544221441 LJYVTTLBPPTVCP-UHFFFAOYSA-N 420.516 1.792 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1545826524 PAOSKJOZWDDTEK-LHSJRXKWSA-N 415.542 1.946 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)C1(OC)CCOCC1 1546533312 NQBOYKANNJOXKA-INIZCTEOSA-N 424.496 1.848 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(Br)n2)CCO1 1555993153 JBGITXGHONQKAD-TZMCWYRMSA-N 419.283 1.717 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1556584818 ILVFUMXRJOFQCU-HNNXBMFYSA-N 402.463 1.809 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1557386712 LLTQWAPJXDMRJU-CQSZACIVSA-N 405.476 1.029 30 10 HDEE N#C[C@]1(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C[C@H]2CC[C@H]1C2 1557593679 KHUOXXGINFFLAX-BBTUJRGHSA-N 416.547 1.439 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3nc(C(N)=O)cs3)C2)C1 1558936582 NNDHWAIOUSSBAD-ARAINJGVSA-N 405.480 1.967 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1 1558940153 HHKZOOVCPQDFBQ-SFHVURJKSA-N 404.536 1.511 30 10 HDEE COC(=O)[C@@]1(C)C[C@H](OC)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1560060092 FNQBPUMIRVAYKZ-QFBILLFUSA-N 412.408 1.826 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OC 1561641420 NHGKLXSVFBUAGO-NSHDSACASA-N 404.238 1.079 30 10 HDEE Cn1cc(C[C@H](CO)CNS(=O)(=O)c2cc(Br)ccc2C#N)cn1 1561703355 BULSQZJTWLIKJT-LBPRGKRZSA-N 413.297 1.184 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ncc4c(c3C#N)COCC4)C2=O)cc1 1584216813 SRJHVAIYQWLFGB-QFIPXVFZSA-N 419.441 1.740 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 1584616890 URZYXRLMTRCTSA-USXIJHARSA-N 405.520 1.704 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H](c3cncn3C)N(C)C)c(C#N)c2N)cc1 1587340745 FXCNXUSYSSUMTI-FQEVSTJZSA-N 420.521 1.720 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)cn2)cc1 1587769856 NJIKODKYQOVVEV-MOPGFXCFSA-N 402.414 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2C[C@H]2C)CC1 1588967969 CRXFDSWRFPPIHB-BVBHFADKSA-N 415.538 1.624 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481902 DLUPZGYWVNEQIK-WBVHZDCISA-N 411.572 1.901 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1594567901 STGVUHYRWHWWQP-AWEZNQCLSA-N 420.539 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCCC(=O)NC 1595490775 ZWXYKPSOQMZOLT-UHFFFAOYSA-N 404.902 1.863 30 10 HDEE C=CCn1c(SCC(=O)NCCS(N)(=O)=O)nnc1-c1ccc(Cl)cc1 1596271300 ZSZVINVCRUPSDK-UHFFFAOYSA-N 415.928 1.281 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)COCCO2)CCOC1 1610337535 SXSDFKSDICQGLJ-PWIZWCRZSA-N 407.515 1.863 30 10 HDEE Cc1nnc(N2CCCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612590735 DOJVGIWHONTVHP-VXPUYCOJSA-N 413.526 1.568 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613282159 MQQSHJKRSCLLCQ-DXNFXHBHSA-N 402.499 1.933 30 10 HDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)NCc1ccc(C(=O)NO)cc1 1618008597 XQTNVWXTBKZNLL-UHFFFAOYSA-N 421.400 1.681 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](CNS(C)(=O)=O)C3)c2C#N)C1 1620561552 ACSDCOCKEWGAGZ-UONOGXRCSA-N 424.592 1.944 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NCCNc2ccc(C#N)cn2)N(C(=O)OCc2ccccc2)C1 1624217061 ZSFSBDCVADJJAG-MOPGFXCFSA-N 423.473 1.907 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1624251889 MGNDPOXAHVLGAI-ZIAGYGMSSA-N 416.902 1.757 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 1625580328 BOQJUDMBTYMSKP-MHVYXZCWSA-N 405.476 1.796 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2COc3ccc(O)cc3O2)cc(OC)c1OC 1626077821 WRSLZCIEZUPKOW-ACJLOTCBSA-N 400.387 1.939 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC(O)(C(N)=O)CC2)cc1OC 1626174602 UWTMBVSQSWTHJA-UHFFFAOYSA-N 407.467 1.063 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OCC 1627753239 YVXPCWOOZJHPDN-XUWVNRHRSA-N 410.536 1.907 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1OC 1631595899 HXJLDLPODPJFNM-HUUCEWRRSA-N 410.496 1.339 30 10 HDEE C=CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H](C)COC 1632751688 FZSISWXEEDRJTR-CRAIPNDOSA-N 400.479 1.586 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H]3c3ncccn3)C2=O)cc1 1633395299 BYHBXSJTETXIGQ-IRXDYDNUSA-N 404.430 1.917 30 10 HDEE COc1ccc(CN(CCO)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1634107895 HPAKUUKFXRLZCT-FUHWJXTLSA-N 418.494 1.958 30 10 HDEE COCCN1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1639366045 WHVZQYQFYQPMML-UHFFFAOYSA-N 407.268 1.032 30 10 HDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1640179054 MOQNLGJXCBHREJ-IAQYHMDHSA-N 400.403 1.486 30 10 HDEE N#Cc1ccc(OCC(=O)NCCS(=O)(=O)C(F)(F)F)cc1Br 1640293261 GTFBVAIAAGFYAM-UHFFFAOYSA-N 415.187 1.750 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)C1 1640924507 OROOGGMCIMOTPO-KXSVDRQTSA-N 418.494 1.826 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)Nc3cc(C)ccc3S2(=O)=O)c1 1644140706 PWMYLJQFCSCYJK-UHFFFAOYSA-N 412.427 1.861 30 10 HDEE C#CC1(F)CN(C(=O)[C@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1644615637 FGWPXDNDRZOOIX-HNNXBMFYSA-N 421.494 1.254 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1646304375 CPCPRKBLYRWHCY-SGMGOOAPSA-N 402.900 1.415 30 10 HDEE CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790515 LHGGJXILPYWYSM-CQSZACIVSA-N 405.455 1.287 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1650972434 QERFJZJCMODQHS-BBRMVZONSA-N 416.927 1.316 30 10 HDEE Cc1onc(CC(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)c1C#N 1652597267 WQTIQEHDOASLOI-HNNXBMFYSA-N 412.450 1.801 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)CC2)c1 1653199060 CFQDUMJEKSQPRI-ZHTDJMBKSA-N 419.478 1.056 30 10 HDEE Cc1cc(CN(CC(=O)N(CCC#N)CCC#N)C2CC2)cc(S(N)(=O)=O)c1C 1654108858 VYSUOGRTULQFSF-UHFFFAOYSA-N 417.535 1.571 30 10 HDEE Cc1ccc(NC(=O)c2nnc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1 1655683711 LLSCVGRBFHRPFD-UGSOOPFHSA-N 417.516 1.469 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(C)(C)CC(=O)N1CCN(c2ccccc2)CC1 1661928974 HETQGJJRCXKVTL-UHFFFAOYSA-N 406.552 1.973 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)c(F)cc1OC 1662402339 HAUIGVNDOYBHDR-UHFFFAOYSA-N 416.290 1.476 30 10 HDEE C#CCC1(NC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1 1667637635 FTNCROQFDRGTOO-HOTGVXAUSA-N 403.483 1.213 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCCc1ccc(C#N)cc1 1668563255 HYOILQXBTYDAAR-UHFFFAOYSA-N 416.503 1.213 30 10 HDEE CCS(=O)(=O)CCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1673631699 ZVLPCCACCHEVCT-UHFFFAOYSA-N 415.519 1.763 30 10 HDEE Cc1cc(NC(=O)N(CCC#N)CCN2CCOCC2)ccc1S(=O)(=O)N(C)C 1674870404 BHEHOCDOGVBYLD-UHFFFAOYSA-N 423.539 1.325 30 10 HDEE C#C[C@@H](NC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1682058953 ADBJSAOHVBDNPK-GOSISDBHSA-N 408.543 1.657 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1684869990 SUIPSSVYDAFYJG-UHFFFAOYSA-N 420.579 1.565 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1690130413 FWOYVSLZUOQUAK-UHFFFAOYSA-N 406.534 1.724 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@]2(OC)CCOC2)CC1 1690150446 HVCMXSYYOLNNLH-OAQYLSRUSA-N 401.511 1.002 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690236302 LFCRPPNJUBJMMS-ZJPYXAASSA-N 419.526 1.345 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690451645 LYLNQXZTEMGFIH-HNNXBMFYSA-N 418.523 1.905 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690660641 LXKZHGQCMZFOFI-MSOLQXFVSA-N 423.521 1.336 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccccc1C 1690667809 IWGCYICKDXYOES-UHFFFAOYSA-N 409.494 1.804 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1692662570 IBAPWLAEMXRPLB-RYUDHWBXSA-N 409.434 1.845 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1692662574 IBAPWLAEMXRPLB-VXGBXAGGSA-N 409.434 1.845 30 10 HDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1696483468 IGDPGJKZPRZYKY-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(CC2CCCC2)n1Cc1ccc(C#N)o1 1696829864 USPCBAWRXGUSBX-UHFFFAOYSA-N 406.512 1.509 30 10 HDEE COC[C@@H](Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1697768726 LQQXTHAWVUADQS-YLJYHZDGSA-N 407.515 1.720 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CC(=O)NCC(F)(F)F)cc1 1698488474 IFVXQWOBCZJAPX-UHFFFAOYSA-N 424.383 1.244 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1705500508 OPYVBLFFGRAFSR-INIZCTEOSA-N 421.505 1.510 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC(CO)CC1 1705530161 JYHOACKBAOYZJW-UHFFFAOYSA-N 416.551 1.860 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1705540824 OMVGCNBJVCNYKZ-SFHVURJKSA-N 424.505 1.652 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705570133 MYUNUPZYQIEJPG-GOSISDBHSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCO[C@H](C)C1 1705573372 FOAMPWFOZVLWFC-IXDOHACOSA-N 407.540 1.166 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(-n2cncn2)c1 1705626053 HBNDEBKHKRMEHW-UHFFFAOYSA-N 402.462 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1705631049 PVVSJZRETRVKIR-OZQHCQBDSA-N 420.554 1.823 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1705658953 GNXZXSIWUJKXCT-ZDUSSCGKSA-N 416.507 1.039 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908895 XNCHBIWQUHRGGR-OXQOHEQNSA-N 407.515 1.094 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1706634017 HSXDYNLGGUSPSS-ZDUSSCGKSA-N 401.471 1.659 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)N2CCOCC2)CCOC1 1710415707 BODLNFPRBBTRCL-FUHIMQAGSA-N 406.531 1.389 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1712169211 QWSCIACUEQBHMM-INIZCTEOSA-N 409.487 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722295537 LERGPXFUMCKWGO-YQVWRLOYSA-N 410.522 1.908 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(C)c1 1722342784 YHRVGIVIOHWFRG-CVEARBPZSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)[C@H](C)CC 1722376891 HCPXAIPZHMBBAQ-GOSISDBHSA-N 417.521 1.724 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)CC1 1722583706 TZPYHLUYFVZEJI-QZTJIDSGSA-N 407.584 1.923 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722685800 NFFQDYQHGXYARX-DLBZAZTESA-N 419.555 1.491 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722699118 BSGQAYVUPGJQJJ-MAUKXSAKSA-N 417.485 1.550 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722726353 CQRIFCYQEBMCPR-RCCFBDPRSA-N 424.567 1.636 30 10 HDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1 1722739285 ULFODIUIZISHTK-MRXNPFEDSA-N 401.492 1.646 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1722867237 FQGITYQMSJIZBY-HOCLYGCPSA-N 405.528 1.142 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1723192070 GXPZGLXOHBHNOF-KGLIPLIRSA-N 402.421 1.393 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)CCOC1 1723678277 UDMLOXWQINAISR-UXHICEINSA-N 424.521 1.339 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCCn2cc(CO)nn2)C1 1724009082 BQHMJPPXKDDIRF-NRFANRHFSA-N 421.509 1.568 30 10 HDEE Cc1ccccc1OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1724772094 GBLFABMGZMDHRI-SFHVURJKSA-N 424.505 1.907 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCC(C)(C)O)cs1 1725406998 GUZDXSCVSIHURQ-KRWDZBQOSA-N 415.567 1.971 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCO[C@@H]2CCOC2)n1 1725931495 VWSCBRGWOCBJFV-MAUKXSAKSA-N 401.515 1.931 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1730639286 PSGXAYYUUOVXEY-LAUBAEHRSA-N 415.494 1.741 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1730878890 XOMZTUBECKXWRX-SJORKVTESA-N 406.531 1.605 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1730911484 ZSDNKKGMSXZIGN-GOSISDBHSA-N 415.494 1.741 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740561112 WXQFQIOQTSOXHV-DYESRHJHSA-N 416.547 1.461 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@H](C)CC 1740639201 SVAMRQLTOFFJMU-OAHLLOKOSA-N 410.478 1.383 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740639665 WSIUMFXJFVBIFS-LJQANCHMSA-N 423.492 1.879 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCN(C)C1 1740681920 YICSDRYSLCLQJY-HXUWFJFHSA-N 421.904 1.890 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCOC2=O)CC1 1740702813 YDUXATABXQEYNN-INIZCTEOSA-N 416.526 1.600 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740719964 NRBOLTIVUARVSX-IRXDYDNUSA-N 419.551 1.151 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1740762088 QUGRFSIZZSRBAN-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOC[C@H]1C 1740994356 QALVEZVWJSAHMA-QGZVFWFLSA-N 420.535 1.991 30 10 HDEE CC(C)OCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741760067 OCBODEVRVJOIDN-UHFFFAOYSA-N 408.466 1.639 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1741802850 LRSWZZMSDDOPMU-OAGGEKHMSA-N 417.539 1.378 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1742223565 ICSIABVYFZBZKC-RDJZCZTQSA-N 418.523 1.282 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1745883200 BAOXIDLKRNQYSW-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE CCOCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1747238376 AREKEHNXPPYXGG-LKXWOGMASA-N 420.539 1.671 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1747366608 UMCDKULWCBNNCR-SJLPKXTDSA-N 410.478 1.480 30 10 HDEE CN1C[C@](C)(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)C1=O 1748050918 TWUWVFRQHUWCMO-JOCHJYFZSA-N 422.537 1.647 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1748639482 HXRXGSNARREUDX-KKUMJFAQSA-N 419.507 1.186 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1748798693 GAADQVOVVIZIFB-UHFFFAOYSA-N 408.506 1.909 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748817861 ROYYRWMEMNGPCY-ZIAGYGMSSA-N 418.466 1.038 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748847052 OKQFRVAQHLIXCM-ROUUACIJSA-N 420.521 1.356 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1748848533 IEPBRVMRAXMGEE-UHFFFAOYSA-N 423.908 1.769 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCS(C)(=O)=O 1748851740 LOIUHNNMBYZAKI-UHFFFAOYSA-N 400.504 1.189 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC 1748879880 FZKROTVKPGRHAK-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1748913421 VILQHHWLWBDAGD-NQIIRXRSSA-N 403.527 1.648 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1749043220 FNVPYEAHWXEGPU-QGZVFWFLSA-N 415.567 1.469 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1ccnc1C 1749049057 HXPWMHAODBYDKN-SFHVURJKSA-N 407.478 1.811 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1749065215 XBLJQSCEIJRAOV-IIBYNOLFSA-N 411.510 1.574 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCC(=O)NC 1749128675 YABMSGQRYRFXIK-DAYGRLMNSA-N 404.515 1.173 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749232274 INEMTKHGMRRPHI-MRXNPFEDSA-N 405.524 1.474 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1749427695 SIXNLDGKXTZNKD-INIZCTEOSA-N 410.540 1.532 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749635005 QLGKCJLDSVXLKF-MRXNPFEDSA-N 422.580 1.824 30 10 HDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1749646176 NTUNQRPQXPPRFH-IERDGZPVSA-N 424.509 1.493 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749671101 ZAEZYONKHDNRKN-ROUUACIJSA-N 424.505 1.882 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@](C)(CC)C1 1749735700 VAMMFMMUVGCTOB-QFBILLFUSA-N 412.556 1.778 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1750049456 UFXVJJMAHZMFDT-GOSISDBHSA-N 412.494 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)F 1750154334 LSOKTHUCNLGIJE-MJBXVCDLSA-N 401.414 1.360 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1750381783 DXOOSRMDLNIZRX-MRXNPFEDSA-N 401.492 1.478 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1750390132 FYXUDPCPDHUYRT-INIZCTEOSA-N 407.540 1.615 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNS(=O)(=O)CC 1760104691 CYTQHUPTRSJSAO-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC[C@@H](C(F)F)N1CCOCC1 1760173883 DSJBTPBHXBELPG-KRWDZBQOSA-N 404.465 1.689 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1CC 1760208459 CWFGBMFOEGJLNE-UHFFFAOYSA-N 403.450 1.048 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1 1760211020 ZFCSDGHJNQHASE-GOSISDBHSA-N 411.481 1.790 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCC(=O)N(C)C)CC1 1760262328 LVMXEXXYKZNKDP-UHFFFAOYSA-N 424.549 1.501 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1)c1ccccc1 1760360500 DNTQNWMIAVNFJU-GOSISDBHSA-N 408.506 1.941 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@H](CC)C1 1760514917 OLUNMLQDXVLZQP-GOEBONIOSA-N 406.531 1.502 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)C1 1760542263 FJBJLHNJWXRMAD-IRXDYDNUSA-N 420.539 1.248 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1760695121 AYUSFZKNZSBWPR-RDJZCZTQSA-N 420.583 1.650 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1761403128 FYKFQVHXIAXRCK-MRXNPFEDSA-N 418.509 1.278 30 10 HDEE CC[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1764346593 DKHOJMCACHDHSI-HXUWFJFHSA-N 407.482 1.927 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1765640475 PDXCVAMDCCFSJO-UHFFFAOYSA-N 411.510 1.707 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(N(C)C)nc2)CC1=O 1767520982 AVWFDHDXQVOYAM-UHFFFAOYSA-N 416.489 1.604 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)cc1 1768530607 BFNOEEOFWNQMOX-SFHVURJKSA-N 400.483 1.261 30 10 HDEE COC1CCN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1769073586 DYKOJGDRRIMATR-ZWKOTPCHSA-N 418.542 1.748 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1 1769983391 HSMHYIXDFCJVTM-AWEZNQCLSA-N 406.512 1.441 30 10 HDEE Cc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1cccc(OC(F)(F)F)c1 1850691961 AQNDHIPPVPTVMS-UHFFFAOYSA-N 423.395 1.540 30 10 HDEE CC(C)[C@@H](C(=O)N(C(=S)N=CN(C)C)c1ccccc1)N1CCS(=O)(=O)CC1 1851347770 NDLPQAAEGNWNLI-KRWDZBQOSA-N 424.592 1.649 30 10 HDEE N#CCC(=O)N(c1ccc(N2CCOCC2)nc1)S(=O)(=O)Cc1ccccc1 1852782711 NURKEMDUZKTWBO-UHFFFAOYSA-N 400.460 1.695 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3F)CC2)cc1 1852787128 RSJGXYFFLRLRSK-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE N#CC1(COC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1853211363 QGCQKRHTDXFMKJ-SFHVURJKSA-N 401.488 1.656 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(c3ccnc(Cl)n3)CC2)n1C 1853405771 UXPHAQKJVGFYRI-UHFFFAOYSA-N 405.890 1.153 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1854011475 DVMRHUZHBJJCGZ-ZWKOTPCHSA-N 403.504 1.127 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855110356 ODFHVOBDNCAFJI-DLBZAZTESA-N 402.495 1.608 30 10 HDEE Cn1cncc1C(=O)N1CCC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855135792 QTCMWIIUFDQKAK-IBGZPJMESA-N 407.474 1.966 30 10 HDEE COc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)c1 1856004904 MCUSTHZEGBXDQR-UHFFFAOYSA-N 413.455 1.959 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(-n3cccc3)cc2)CCN1S(=O)(=O)CC#N 1856047271 FHPRNKFINLKQSZ-UHFFFAOYSA-N 400.460 1.394 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@]4(C3)CC4(F)F)ccc21 1856216690 MWAYVSOEJSIDIC-QGZVFWFLSA-N 409.414 1.826 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@H](N(C)CCC#N)C2=O)cc1 1856541995 CCBDRMTUKXUNLI-KRWDZBQOSA-N 407.492 1.222 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4sccc4C3)CCC2=O)CC1=O 1856719021 XLIFSYSDUHGJIG-NVXWUHKLSA-N 401.532 1.906 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)Cc3nc(C4CC4)no3)CCC2=O)CC1=O 1856798647 OYVVBAJBKPKDAX-HOCLYGCPSA-N 415.494 1.179 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3COc4ccccc43)C2)CC1 1857020279 VLIGUWRZQFAQLU-DOTOQJQBSA-N 417.487 1.103 30 10 HDEE COc1cccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857056850 QKNLQKYWZGWFCU-INIZCTEOSA-N 405.476 1.249 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC(S(C)(=O)=O)CC3)CC2=O)cc1C#N 1857222419 MPAUHXJUXVDSSS-OAHLLOKOSA-N 403.504 1.364 30 10 HDEE C[C@]12CCC(=O)N1CCN2C[C@@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1857451890 SMZNDLNBEHVGJS-WMZHIEFXSA-N 408.502 1.910 30 10 HDEE Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2n1CCCC2 1858199906 YSZVHSVVBYUNGX-UHFFFAOYSA-N 413.503 1.546 30 10 HDEE C=CCNC(=O)N1CCN(S(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)CC1 1858621736 FGVATLSHGWOTQP-UHFFFAOYSA-N 422.507 1.024 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1866359328 JURSKLIPHSTQQM-JTQLQIEISA-N 422.235 1.651 30 10 HDEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN2CCN(C)CC2)cc1=O 1870563658 KLMFISMWVMFBAB-OAQYLSRUSA-N 415.921 1.995 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870666267 DYJJVLIZVLASBD-UHFFFAOYSA-N 400.454 1.360 30 10 HDEE C=CCn1nc(C(=O)NCCCN2CCOCC2)c(I)c1C 1871322372 SXENXIKNSPIVOC-UHFFFAOYSA-N 418.279 1.434 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871624004 FZEQOBDZNZJVKA-UHFFFAOYSA-N 424.553 1.878 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H]2OCC[C@@H]21 1880980029 LLZAIXDXRLDGQX-SOUVJXGZSA-N 402.403 1.908 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2012957965 CIOQVJNLHAUMGX-SNVBAGLBSA-N 400.277 1.153 30 10 HDEE C[C@H](NS(=O)(=O)c1cncs1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130087406 TVZDWRCRSVKYCA-VIFPVBQESA-N 401.344 1.938 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2157039231 PUOHHMMXQIOLDK-NSHDSACASA-N 403.331 1.370 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 2174777354 IWLQKEJGRBFDLX-HNNXBMFYSA-N 403.545 1.806 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2174778903 COYCYGLGMUWFST-OWCLPIDISA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217439345 IIWBAMGTWUITSA-CVEARBPZSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2243394215 DQFMZNVRLDJWAG-LJISPDSOSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247284765 CFIMYBPERIZSTL-CVEARBPZSA-N 419.331 1.845 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2247828922 JOZCSLPPGLYXJF-PIIMJCKOSA-N 408.311 1.569 30 10 HDEE C=C[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258138384 JNCDUNGWEDOVAM-RDJZCZTQSA-N 410.492 1.682 30 10 HDEE C=C[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258158307 JNCDUNGWEDOVAM-WBVHZDCISA-N 410.492 1.682 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158488 MIQGACWDHXUWED-QGZVFWFLSA-N 410.492 1.677 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C(F)(F)F)s2)OC1(C)C 2267367517 UWQCOOSAWRCJJW-QMMMGPOBSA-N 401.237 1.249 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282026946 JXJAHHZTMOFSNL-WDEREUQCSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)cs2)OC1(C)C 2282203167 MARMBCDRDUYBMT-ZDUSSCGKSA-N 417.383 1.607 30 10 HDEE CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312009 PULPFFKNBGIVIF-VIFPVBQESA-N 422.765 1.504 30 10 HDEE CN1CCC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282331971 UKOBYVDFDNOEED-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC[C@@H]1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282345820 RIRIGEZIZGXUNO-KGLIPLIRSA-N 400.375 1.856 30 10 HDEE C[C@H]1[C@H](O)C[C@@H](C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282348473 LTKPCIDJXVMCDI-FRRDWIJNSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](F)[C@@H]2CCOC2)OC1(C)C 2282494018 YVYJARUJIOFMBF-YPMHNXCESA-N 405.322 1.700 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282494514 ZXCKFKHLVMKDKQ-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CN([C@@H]1CCC[C@@H]1O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499166 NDPWISMXYBOAHR-KGLIPLIRSA-N 401.359 1.722 30 10 HDEE CC[C@H](CCO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502295 JEJFMMCOAMBHPH-GFCCVEGCSA-N 404.363 1.270 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H](F)C(F)(F)F)OC1(C)C 2282505500 FFAFUQDXDUNEQR-SECBINFHSA-N 418.243 1.762 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CC=CCO2)OC1(C)C 2282506032 MFNGDYUNYMHZSF-LBPRGKRZSA-N 400.331 1.207 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCC2(CC1)OCCO2 2282595969 BGWBACNHSFNLEX-UHFFFAOYSA-N 405.304 1.443 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H](C)C[S@](C)=O 2282833606 YHDSAPQJZSTEFT-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282840105 DFOSFIDQAMAKFQ-JTQLQIEISA-N 403.331 1.586 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2(C)CC(O)C2)c1B1OC(C)(C)C(C)(C)O1 2282840336 MSDKMFJRONYYBM-UHFFFAOYSA-N 401.359 1.856 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCC4(CC3)OCCO4)c2)OC1(C)C 2282844550 FSQFIAJSQXUMME-UHFFFAOYSA-N 423.340 1.655 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCS[C@H]3CC[C@H]32)OC1(C)C 2282847094 UBQRKWNVJRJIDM-OLZOCXBDSA-N 416.399 1.852 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H](CN)C2)OC1(C)C 2282847650 BUPFCRNNZZLVMA-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@](F)(CO)C2)OC1(C)C 2282854198 OOACHWIWKHVXLN-MRXNPFEDSA-N 405.322 1.532 30 10 HDEE CN1CCC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282854454 RPRYAYJWPFMDND-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(F)(CN)CC2)OC1(C)C 2282855968 LPMZSIWJNQFGEG-UHFFFAOYSA-N 404.338 1.499 30 10 HDEE C[C@@H]1COCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874895 HPKDFRFYIJIOPT-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE CSCCN(CC(=O)O)C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2284492627 QAGSAFSNDOXIKW-UHFFFAOYSA-N 400.331 1.641 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1(C)C 2367814029 ACGDNMQFXCCKSV-KSMMKXTCSA-N 400.541 1.339 30 10 HDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)o1 21321407 YXCDPZRASZVEQS-QGMBQPNBSA-N 416.423 1.978 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(Br)cc2)CC1 23266482 YBSFNZXMJPZRHL-INIZCTEOSA-N 412.328 1.109 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 32054931 WTYNUWQKAPEEHU-UHFFFAOYSA-N 406.914 1.296 30 10 HDEE COC(=O)C1=C(C)N/C(=C\c2ccc(CNS(=O)(=O)c3ccccc3)o2)C1=O 33344730 TVVUKJUEEPTMSQ-YBEGLDIGSA-N 402.428 1.718 30 10 HDEE CCOC(=O)c1c(NC(=O)Cn2c(N)nnc2SCC#N)oc(C)c1C(C)=O 40173568 CGYDYTMQGXVXSE-UHFFFAOYSA-N 406.424 1.395 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](CNS(C)(=O)=O)C1 52695180 FXUIJERDHRLQQN-QWHCGFSZSA-N 410.565 1.697 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 53502852 GOOOWTPBELYBNJ-UHFFFAOYSA-N 413.503 1.233 30 10 HDEE CS(=O)(=O)N/N=C/c1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 59500639 IRRBNQWTHMKEHB-XSFVSMFZSA-N 417.491 1.800 30 10 HDEE CSc1nc(N/C=C2\C(=O)c3ccccc3N(C)S2(=O)=O)nc(N(C)C)n1 106325057 VJQKOFFUPDAMFV-FMIVXFBMSA-N 406.493 1.575 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2sccc2NC(=O)c2ccncc2)CC1 144635738 PJULUEZBZDWSPM-UHFFFAOYSA-N 413.503 1.455 30 10 HDEE COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 254743096 MPKGIKMGKTVAEM-RYUDHWBXSA-N 424.422 1.833 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 309867410 NQCLBORDTIQESQ-UHFFFAOYSA-N 404.320 1.527 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)C2)cc1 409632207 QNXONQQCKKVTIM-JKSUJKDBSA-N 416.507 1.236 30 10 HDEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)c2)cc1 442275395 OSEAPLBPSDSRRM-LJQANCHMSA-N 422.441 1.389 30 10 HDEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443337438 SSBUBJUKQXRRKR-RJYAGPCLSA-N 412.490 1.989 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)CC1 443548026 CQZBOJNYNJZGGQ-HWOWSKLDSA-N 407.496 1.106 30 10 HDEE Cn1nc2ccccc2c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475280485 NYEOBHHEOJWFGC-UHFFFAOYSA-N 409.471 1.592 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2ccnc2)cc1 480137062 KNQUVPZMXMSZBT-INIZCTEOSA-N 423.498 1.786 30 10 HDEE Cn1cc(C(=O)NCC2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cn1 481058843 LJSWIYSDVLTFJQ-UHFFFAOYSA-N 419.482 1.403 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 481071155 HXNISGWMXNOQRZ-LLVKDONJSA-N 418.397 1.611 30 10 HDEE COc1ccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)cc1 489024899 UWDMCUAGRCKUHZ-FQEVSTJZSA-N 416.503 1.622 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)cc1C#N 489273099 XNXHGSUVSKHRLQ-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 498399815 YPHLSHYFOJRUGD-INIZCTEOSA-N 406.508 1.440 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503978917 SARBONJNSBYKSC-LJQANCHMSA-N 411.506 2.000 30 10 HDEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 506926547 KNMRRDURCLUEBI-UHFFFAOYSA-N 422.482 1.824 30 10 HDEE Cc1oc(NC(=O)CN2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c(C#N)c1C 507672230 JKUXAZXAXBKWPJ-OAHLLOKOSA-N 401.511 1.772 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(CNS(C)(=O)=O)CC1 510169184 LLWCNPQDGKYRNR-GFCCVEGCSA-N 410.565 1.697 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCC(NC(=O)CC3CCCC3)CC2)CC1 512996891 FTXGBYCYGGCFFR-UHFFFAOYSA-N 418.582 1.688 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cnn3ccccc23)CC1 517106773 PFDIVXBYLLZUKH-UHFFFAOYSA-N 424.486 1.422 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1C1CC1 523306249 XGYFSBRNIFEHCP-UHFFFAOYSA-N 408.479 1.888 30 10 HDEE CCOC(=O)CC[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534096729 GLOSNMSHBZWMDI-HNNXBMFYSA-N 422.507 1.306 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 547714365 BYEIJRVLYJMTIF-UHFFFAOYSA-N 402.358 1.333 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 555165954 QHZOOJYQPOOZGP-AEFFLSMTSA-N 408.520 1.448 30 10 HDEE N#CCCn1cc(CN2CCCN(S(=O)(=O)C3CC3)CC2)c(-c2ccncc2)n1 555367875 YWCCRMZOYODBNV-UHFFFAOYSA-N 414.535 1.859 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCOCc1ccc(C#N)cc1 564151651 JKVTXBSUCPSVOG-GOSISDBHSA-N 408.506 1.534 30 10 HDEE CCNc1ccc(C#N)cc1NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 565552873 MRCJZTFGARGMNI-UHFFFAOYSA-N 406.446 1.750 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 573168844 IWBDXYZPKKKPNB-CABCVRRESA-N 421.505 1.951 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)CC3(C#N)CCCC3)no2)cn1 584690088 UPBTWNYFSQTGRM-CQSZACIVSA-N 406.468 1.257 30 10 HDEE C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)N1CCN(c2ccccc2)CC1 585722327 TVJADNLDDVQSMM-QGZVFWFLSA-N 423.492 1.640 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1C#N 589895583 XQHJSYIIJSDBQP-LJQANCHMSA-N 420.922 1.955 30 10 HDEE CN(C)CCn1cc(NC(=O)C(=O)NCCSCc2ccccc2C#N)cn1 610869481 HVMXJFUYXVALPT-UHFFFAOYSA-N 400.508 1.304 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916254 ZIQPHBZWDIJXQG-UHFFFAOYSA-N 404.495 1.822 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@H](C)C1 615326114 ZHXPBNDZIPJRAI-CQSZACIVSA-N 407.430 1.763 30 10 HDEE N#Cc1cc(CS(=O)(=O)c2nnc(N3CCCCC3)n2C[C@@H]2CCCO2)ccn1 618559929 MGIPDWJBJIVHMH-KRWDZBQOSA-N 416.507 1.688 30 10 HDEE COc1ccc(CCNC(=O)CN2CCN(c3ncccc3C#N)CC2)cc1OC 619510073 KKIMZRSSQWIEBZ-UHFFFAOYSA-N 409.490 1.451 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727417237 AIYOYNBPESXCFW-UHFFFAOYSA-N 404.451 1.393 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc3ncccc3c2)c1C)[C@H]1CCS(=O)(=O)C1 731340639 VHDNLDVAAZZFDJ-KRWDZBQOSA-N 409.471 1.386 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 734215030 FQXYDQBMDYTPFQ-PVEMMZBWSA-N 407.471 1.212 30 10 HDEE Cc1ccc(NC(=O)COC(=O)c2cc(C#N)cn2C)cc1S(=O)(=O)N(C)C 751730984 INSGNQBXNWWPHA-UHFFFAOYSA-N 404.448 1.251 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ccnc(-n4ccnc4)c3)C2=O)cc1 753446416 MUNOFXOICJBAQV-IBGZPJMESA-N 415.457 1.739 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](SC)[C@@H](N3CCCC3)C2)cc1 758789114 DJZHCTNMQOLFLT-ROUUACIJSA-N 407.561 1.250 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)OC(C)(C)C 765416353 HAXAFZMOHAVJLE-CYBMUJFWSA-N 410.496 1.256 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767871897 JCGMIXSMRIBRIY-OAHLLOKOSA-N 423.519 1.931 30 10 HDEE COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 771156466 BEQISOYMVCZDHD-JOCHJYFZSA-N 404.426 1.945 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 772361076 SOXYANYCRKVLFJ-JJXSEGSLSA-N 401.467 1.558 30 10 HDEE CC(C)CN(C(=O)COC(=O)/C=C/c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 775075651 QDLYIXASRPJVIK-DVBCCOPCSA-N 404.488 1.786 30 10 HDEE COc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(OC)cc(C)n3)c2=O)c1 776754183 VNQCAEOOAJPCKJ-UHFFFAOYSA-N 404.451 1.646 30 10 HDEE C#CCN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 779671398 XOSGINVDTPDDLC-FPOVZHCZSA-N 403.548 1.873 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cc(F)c(F)c(F)c1 780010791 JYUDWLHPRAKBSH-UHFFFAOYSA-N 411.405 1.891 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780724870 YGSPQELPLICCMW-DENIHFKCSA-N 414.506 1.764 30 10 HDEE CCOC(=O)CC1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 790355360 JNYWDKIQADBJAA-CQSZACIVSA-N 421.519 1.886 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CCn3cncn3)CC2)CCCN1C(=O)OC(C)(C)C 790659553 JZNBARVGHHWQFL-OAQYLSRUSA-N 418.542 1.768 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1=S 794684345 VSUOCKOSQJJFLH-IFXJQAMLSA-N 416.507 1.526 30 10 HDEE C=C(COC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 795395078 LJGPZGCWSUOISL-UHFFFAOYSA-N 406.254 1.390 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(=O)OC 795400540 FXCSSZIXWDOJOH-CYBMUJFWSA-N 404.872 1.064 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3ccnc(C#N)c3)CC2)nc(C(C)C)n1 795976873 PELPJLMALJLHJU-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 803596192 DFTKDKNLTJSZCX-ZJNRKIDTSA-N 413.471 1.479 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 805783197 UJUQEMGWBKYVLL-OALUTQOASA-N 407.536 1.409 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 813729599 GYRVXVAVXGGUEN-MPNRVQBSSA-N 413.455 1.981 30 10 HDEE Cc1c(C#N)cccc1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1116930610 FZXKRSYLXZUSHP-ZIAGYGMSSA-N 415.471 1.937 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc(OC)c1OC 1127754218 UWLZOGYUCKSJRF-APIJFGDWSA-N 408.476 1.749 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1130216235 VYBKBNBLJSLFKJ-YJYMSZOUSA-N 408.476 1.599 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(I)cc1-n1cnnn1 1131949105 GLFKRDVBLXCIQD-LLVKDONJSA-N 411.203 1.035 30 10 HDEE C=CCOCC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1134467445 MCPXNAGCNIKZLZ-AWEZNQCLSA-N 400.216 1.493 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1134703672 ZXWAQPHJLFCMCU-UHFFFAOYSA-N 401.448 1.825 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)nn1 1140383676 GEHFLWDNDLPDJT-OAHLLOKOSA-N 405.480 1.252 30 10 HDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1151861817 SVFHUELGZHNCHE-OAHLLOKOSA-N 405.296 1.699 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C=O)cc3)cc2)CC1 1152973777 OKJKNYFANJAXMU-UHFFFAOYSA-N 411.483 1.392 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](n4ccnn4)CC3)C2=O)cc1 1168456670 SMMSHGJCHCPJJC-FUHWJXTLSA-N 421.461 1.609 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@H]3CCCCO3)CC2)cc1 1180362629 GHGGXSWWAUYUFI-LJQANCHMSA-N 415.515 1.648 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1192472938 ZXBFSRPMTUBNPH-IBGZPJMESA-N 405.520 1.123 30 10 HDEE COC(=O)[C@@H]1CC(F)(F)CN1S(=O)(=O)c1cccc(Br)c1C#N 1194176144 CBZPFXZTUVVISZ-JTQLQIEISA-N 409.208 1.892 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 1227260953 BKDDZWUIGONRHR-JCNLHEQBSA-N 410.927 1.381 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1253132901 AKQOESOZUJIROF-UHFFFAOYSA-N 403.451 1.573 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cc(Br)nn1-c1ncccc1Cl 1265398032 PATZOAOJHVRGEC-UHFFFAOYSA-N 412.631 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1286277774 HCWIBRDUTJDJMA-JKSUJKDBSA-N 420.535 1.912 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1286297014 ACTGXTXJMDNQKT-MPGHIAIKSA-N 402.520 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1286301375 CWIPCAKGVVPWPZ-QGZVFWFLSA-N 408.506 1.565 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1286442626 HKADMZJLTOZNKQ-QFIPXVFZSA-N 419.489 1.130 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1286442765 LXPXKXBFAVGCJN-UHFFFAOYSA-N 419.489 1.178 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1F 1286464510 CBCNEXXQOCYCDM-RDJZCZTQSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CCOCC2)CC1 1286472179 VWZSFMXQTSUXFM-UHFFFAOYSA-N 400.527 1.086 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286507865 CROMAAPQXSXMOV-WMZOPIPTSA-N 416.551 1.943 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286612043 VATSDTSHEKAYMS-XEWABKELSA-N 403.527 1.590 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286712220 UNXHDQCIXVEAMI-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1286774230 DKDVIBWSUBSJCP-QGZVFWFLSA-N 414.485 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1286785284 IJLMOVVJZLLGAB-INIZCTEOSA-N 413.526 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1286786038 VRXCQPJZVXAPME-UHFFFAOYSA-N 422.493 1.892 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286792608 CZAPNUKDESXGJL-YRNRMSPPSA-N 407.515 1.235 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286819319 GULZWTXLKOCMGL-YPMHNXCESA-N 408.446 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1286819881 YPMXDYQDNHIILT-CYBMUJFWSA-N 420.495 1.202 30 10 HDEE COC(=O)c1ccc2c(n1)CN(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)CC2 1289702665 IDJCDXIDEURCOR-UHFFFAOYSA-N 418.457 1.917 30 10 HDEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1291077329 ACPNNMRATJQFSW-MGPUTAFESA-N 415.519 1.603 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21 1293032564 NGHJOPADYUEQPC-INXXYQBQSA-N 416.275 1.977 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21 1293032565 NGHJOPADYUEQPC-OREYXUBMSA-N 416.275 1.977 30 10 HDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1293675215 PRRLTNKAEBWLNG-WAYWQWQTSA-N 407.522 1.993 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@H]1CCCO1 1296701374 NVBQMQMHLHTWCH-JQVOGXOBSA-N 406.479 1.471 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1297587176 NFYCHQXWTFOBPT-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE CC(=O)N[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1299649132 OMNGOBOCPKFLJC-HNNXBMFYSA-N 406.508 1.023 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)c1 1300145108 NXLRLMFMIJHGLC-OAHLLOKOSA-N 400.456 1.460 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1300271715 JSQPBORVCUOBIL-LSDHHAIUSA-N 419.551 1.622 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300408517 AEWKXZXCIKAEOK-WBVHZDCISA-N 416.551 1.841 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1csc(COC)n1 1300471722 MEIXPKVIAQWGHJ-UHFFFAOYSA-N 416.532 1.990 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1noc2c1CCCC2 1300506557 UWJGIQJXRCZWFJ-UHFFFAOYSA-N 415.457 1.913 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1300547733 BUKBFFCAOGPBQR-UHFFFAOYSA-N 421.436 1.280 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCC[C@@H]2C)CC1 1300698069 MPQBYBGTIJXAHS-OALUTQOASA-N 413.570 1.249 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1301037572 WLCXUJLAGKPZFA-UHFFFAOYSA-N 406.874 1.850 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)CC1 1301064560 XOVIFVSNTLPOEX-JXFKEZNVSA-N 419.551 1.952 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1301492798 NZQUDYKQIJJORU-UHFFFAOYSA-N 414.510 1.607 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1301514741 MOSOUKDHBSSAHH-FQEVSTJZSA-N 414.441 1.610 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)C1 1301554363 FKUSTLCGCUFNJO-VWKPWSFCSA-N 403.527 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)s1 1304632199 HVRLRDONEULTIX-GOSISDBHSA-N 424.548 1.311 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@@H](C)[C@H](C)NC(=O)[C@H]2C)c(C#N)cn1CCOC 1310522799 AKHMNHALEOHCOQ-RWMBFGLXSA-N 405.455 1.312 30 10 HDEE N#CCCN1CCN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 1311712147 CGHQUTPKFZVBFF-UHFFFAOYSA-N 401.511 1.138 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1312867029 YUSAZTYNTJPWGK-UHFFFAOYSA-N 411.550 1.281 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1315694558 GMZNPDKXIIRRAR-GOSISDBHSA-N 424.505 1.714 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H](O)C1 1316286190 ZCKYZYLDLHKLLD-WDHIOAMHSA-N 407.490 1.995 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 1323715362 MCDLCULXJOCVNR-LAUBAEHRSA-N 414.462 1.645 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(C(F)(F)F)CCOCC3)C2=O)cc1 1325436378 CKAZSOUPGZVXDZ-AWEZNQCLSA-N 424.379 1.991 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1358889571 DJGUEMVNLOPMPU-HIFRSBDPSA-N 419.507 1.099 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358927046 LJDIKWDHUBOMMN-QGZVFWFLSA-N 407.478 1.535 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1358929467 AOICDYKXNSRKPI-LPHOPBHVSA-N 420.539 1.154 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1COCCO1 1359021099 BJDNMZOXMIILOD-KRWDZBQOSA-N 414.462 1.218 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(-n2cncn2)c1 1359023026 WDZMIPCSSUGILQ-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359032020 YJQINLSYZINOCG-JTSKRJEESA-N 406.490 1.112 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCCCC2)CC1 1359039688 RVIDJHMKNKJXKJ-GOSISDBHSA-N 400.527 1.287 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC#C)CC1 1359058978 WKUUELTVXUOODG-UHFFFAOYSA-N 409.559 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1359293848 BPDCGEXGQFDLPJ-CQSZACIVSA-N 416.507 1.247 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1359333983 PWHJEGFEWRZXDK-INIZCTEOSA-N 419.482 1.338 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C#N)CO)c1 1449518415 GRMRSYXTUSRSCQ-VIFPVBQESA-N 404.286 1.140 30 10 HDEE CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N2CC(C#N)C2)cc1[N+](=O)[O-] 1450381099 YLPAQEMQGUWZTK-UHFFFAOYSA-N 412.493 1.603 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)CCN3CC4(CCOCC4)C3)CC2)o1 1454998176 FZYOCKMDCCWFAS-UHFFFAOYSA-N 401.511 1.642 30 10 HDEE CC[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)OC(C)(C)C 1455993423 DIZDAVIUCGCIDK-CQSZACIVSA-N 409.508 1.895 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(O)(C4CCC4)CC3)C2=O)cc1 1456627003 QJVLTSVASQMUTG-GOSISDBHSA-N 410.474 1.917 30 10 HDEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(F)cc1F 1457197391 PJMWTHAUHXQALI-UHFFFAOYSA-N 412.356 1.290 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1460309794 TZRYFBKOCFOSTK-NCOADZHNSA-N 403.552 1.431 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1462269578 DNLRJZPBRNATAJ-HZPDHXFCSA-N 421.519 1.882 30 10 HDEE CC(C)O[C@]1(CS(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCOC1 1462727582 AYULXWDIWZNNGC-HXUWFJFHSA-N 407.536 1.590 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NC3CCCC3)C2)C1 1463863960 BXQNHTLPERJTSA-FAGJFJLWSA-N 404.511 1.948 30 10 HDEE COCC(COC)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1463875387 IACGAQNLOVEWKH-UHFFFAOYSA-N 421.441 1.545 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1 1465259317 SPKVUROHDVFVOP-DOTOQJQBSA-N 406.508 1.768 30 10 HDEE C#CCC[C@H](O)CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1467456583 XHOVHHXNKOSOOF-HNNXBMFYSA-N 406.280 1.411 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)CC1 1468082384 XOMFKDYKNRYOHI-UHFFFAOYSA-N 419.532 1.105 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@@](C)(O)c2ccccc2)cc1S(=O)(=O)NCC#N 1469235657 XNIZMSFZUUCWGO-HXUWFJFHSA-N 401.488 1.777 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CCO[C@H](C#N)C3)c3nccn32)C1 1471474781 MTAAEXWZZWUOJR-ZIAGYGMSSA-N 402.455 1.208 30 10 HDEE C#CC[C@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1471522354 WXSFTRSOXOBIAB-JKSUJKDBSA-N 404.511 1.652 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C3(C#N)CCSCC3)CC2=O)C1 1472250240 UVTYXIKCMZXUOU-ZDUSSCGKSA-N 408.524 1.360 30 10 HDEE C#CCN(CCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)C1CSC1 1473630830 ZGVCNFOZVSGOMM-UHFFFAOYSA-N 407.561 1.850 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(Cc3ccno3)CC2)CC1 1473752473 JKBVSKFPHOWAKT-SFHVURJKSA-N 414.535 1.263 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@@H]2CCCO2)CC1 1473840913 PVSIWGZIGUVIEE-CEXWTWQISA-N 418.563 1.727 30 10 HDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1503405684 ZHAYWAWRKNGCLM-UHFFFAOYSA-N 415.498 1.324 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCNC(=O)c2cccs2)cc1 1505316060 DXCCSTNWVYFDIG-UHFFFAOYSA-N 421.486 1.244 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CCO1 1505323412 YDEIPTWAUXOCAB-WMZOPIPTSA-N 416.526 1.740 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507561304 VCAJPJHEZBEKFH-UHFFFAOYSA-N 416.489 1.896 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507632441 LIZJXTDKWKOIGU-JKSUJKDBSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1507650387 JBSRBDDAVKIGDR-IBGZPJMESA-N 421.501 1.771 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1507693384 AUUHVICJXNYWKK-UHFFFAOYSA-N 420.517 1.990 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1507723651 PPULDPJTMYPROJ-UHFFFAOYSA-N 408.506 1.349 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1507755862 WOSDKFBMVDOWFL-MRXNPFEDSA-N 406.556 1.738 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1507799778 SIHNJKWINFAXRM-ZOBUZTSGSA-N 421.523 1.786 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507832627 KEJCJAYKFUXARZ-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1508087689 PFVBUSCMHWGKBK-KKUMJFAQSA-N 404.515 1.171 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508167522 MSVPVYKATFWQLB-IAGOWNOFSA-N 404.584 1.993 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1512518996 ZSJCFIYXQWKRPW-QPQFLAEFSA-N 400.483 1.748 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1517240272 DQUXZNDSFPJBRL-GOSISDBHSA-N 424.505 1.728 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCNC(=O)C1CCC1 1517589889 HLNPZGFNAOULHI-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCSC1 1519167582 DOEVNAGQUSRKDJ-INIZCTEOSA-N 406.556 1.910 30 10 HDEE C#CCN(C(=O)c1cc2c(cc1Br)OCO2)[C@@H]1CCS(=O)(=O)C1 1520935648 UQIZEDPRSVWRLV-SNVBAGLBSA-N 400.250 1.440 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCC(=O)NC2CC2)CCO1 1521136413 FBNZYJCWUYSXCR-MRXNPFEDSA-N 400.508 1.718 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1523036468 KWAGELZUGFITAC-NSHDSACASA-N 421.338 1.382 30 10 HDEE CC(C)C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCNC1=O 1534106623 XDJBGTZMXDJLNR-UZXYXVAJSA-N 420.535 1.990 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)C1=O 1534859762 LMYNUEZIFPASBH-NILFDRSVSA-N 418.247 1.180 30 10 HDEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CCN1CCCS1(=O)=O 1539147016 ATVKNPGWDWMCMT-GOSISDBHSA-N 401.536 1.925 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1539204114 YWKZXFQATUJITI-OAGJVSPASA-N 421.567 1.789 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](C(C)C)N1CCOCC1 1539271766 KDUHBWOCPGOLNG-OAQYLSRUSA-N 406.534 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1 1539296704 TVIQBMRFCVAAEW-OAHLLOKOSA-N 403.483 1.539 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC 1539312045 HTDYWWUVJQMELI-UHFFFAOYSA-N 414.535 1.738 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O 1539414830 ZNLQGHBPHXFPMZ-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539629512 AFWJYKVFHCCQMO-MXTNKPTQSA-N 403.527 1.726 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cc[nH]n1 1539676942 ZGESIFNAPCEYDI-UHFFFAOYSA-N 411.514 1.695 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1540020137 HAWMJUXWTBUXAB-KBPBESRZSA-N 403.574 1.423 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c1 1540824011 FMODZXZOIPNJMX-UHFFFAOYSA-N 416.390 1.431 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540922859 ZYHQCCLQFXTFOO-UHFFFAOYSA-N 423.583 1.809 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541115948 HJKZLRJHIAUNCV-DOTOQJQBSA-N 422.555 1.707 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCSC2)CCOC1 1541723851 JKKLEOWSOZEPSS-WOJBJXKFSA-N 421.567 1.927 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541804561 YHUNZBBIXXMESA-DOTOQJQBSA-N 422.555 1.850 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)ncnc1-2 1543058716 XRJFMUDZUMXAAO-PSVSLLHZSA-N 418.299 1.357 30 10 HDEE CCCN1CC[C@@H](Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1547175999 HQYRHHNEBGQCMZ-QZTJIDSGSA-N 423.569 1.949 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1547311875 KHTHORIXYMCSTR-HZPDHXFCSA-N 410.434 1.409 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CCO1 1554442492 AZVYDMBDMXVDGL-KRWDZBQOSA-N 410.478 1.073 30 10 HDEE CS(=O)(=O)Cc1ccc(Cn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)cc1 1555801349 HPZPIHYCLDVLMZ-QGZVFWFLSA-N 401.492 1.477 30 10 HDEE CN1CCC(CCO)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1556070397 XDICPGALFMEIOX-BATSVXPKSA-N 420.554 1.736 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)c2S1(=O)=O 1556709335 VZLJDSMVTFASRR-UHFFFAOYSA-N 403.464 1.818 30 10 HDEE O=C(C1=CCS(=O)(=O)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633766 JLLPWGNMCOLGDF-HTQZYQBOSA-N 413.286 1.971 30 10 HDEE COc1ccc([C@H](OC)[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1564448892 ZUSIZNZDPBTQOR-YRMAPFEESA-N 407.492 1.351 30 10 HDEE CO[C@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CCOC1 1565052363 JDYCAGHQDOTGIN-OXJNMPFZSA-N 409.490 1.990 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 1565156418 JGHNUBORFIFRSG-RBUKOAKNSA-N 401.507 1.963 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3C[C@H]3c3cccc(C(F)(F)F)c3)C2)c(=O)nc1O 1565284908 SMZNQXMNLMHMBV-LSDHHAIUSA-N 419.363 1.962 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)CC#N)CC3)C2)C1 1566317543 BUOIXCKFMKBMQW-TZQQIIETSA-N 415.494 1.358 30 10 HDEE CSC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1568180986 BIOUKCQLPGKEHI-HRCADAONSA-N 419.503 1.329 30 10 HDEE Cn1cc(C(C)(C)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nn1 1570629779 UGGCAJMDQMKOSI-UHFFFAOYSA-N 403.284 1.937 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1584198397 GJFBDWJTAAPUDV-UXHICEINSA-N 414.355 1.965 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1 1585594622 ZITYGYCYTYECMK-CYBMUJFWSA-N 411.549 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1587609520 QDTWPCYREZJUPB-HNNXBMFYSA-N 418.519 1.351 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587638681 GUXPNFMHJQGIBA-MHORFTMASA-N 415.517 1.586 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588035149 PKWVIQWFOKOIOF-MJGOQNOKSA-N 406.483 1.260 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1588054942 QILUYLPUAYKXLG-IBGZPJMESA-N 414.531 1.713 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588074695 PSHQBEFDFMNLEP-ZACQAIPSSA-N 408.524 1.181 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sccc1C 1588083918 MDZRNBZGFPZXEN-HNNXBMFYSA-N 405.549 1.574 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCCC1 1588149148 HAYYNSQQYVHILN-UHFFFAOYSA-N 405.502 1.996 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CC(=O)N1CCOCC1 1589223217 GCNMKGZYSTVWDP-JOCHJYFZSA-N 411.481 1.859 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1594013572 IDMQICNGVVEHHZ-OLZOCXBDSA-N 405.471 1.469 30 10 HDEE C=CCCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594727593 RMJBNAYJLOBJCL-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1594807398 NRLUOPVSYJQKDV-UHFFFAOYSA-N 420.539 1.323 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1594813666 VTHAUZSZGCJPPT-SFHVURJKSA-N 420.558 1.323 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2OC)C1 1595715077 RUMVNHYWWBTRGA-NUJGCVRESA-N 400.483 1.568 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1 1602813049 QSKYZPFFXNBMID-CQSZACIVSA-N 411.480 1.432 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C2CC2)CCC1 1611710775 FDFJZSLQYGCCAH-DZGCQCFKSA-N 408.528 1.197 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1619589713 IJZSAZARSYKBRV-SZVBFZGTSA-N 424.505 1.726 30 10 HDEE COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1619904606 HVFOESMDYAVKNR-LADGPHEKSA-N 424.545 1.715 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(I)cc2)cn1 1622334808 GKFKYIXJVJUGDW-UHFFFAOYSA-N 401.229 1.599 30 10 HDEE Cc1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1B1OC(C)(C)C(C)(C)O1 1626257505 UUSQVBPOICYTOB-UHFFFAOYSA-N 404.297 1.719 30 10 HDEE CN(C)C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1627353471 NVVVRUROUMIBAW-LNWMTBOKSA-N 422.551 1.763 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)S(=O)(=O)C1CCOCC1 1627790958 VGPDDJHRGPNETQ-MAUKXSAKSA-N 405.520 1.578 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1C#N 1629106792 SZGGKLOTILFXQO-LBPRGKRZSA-N 420.491 1.889 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[C@H](Nc4cnccn4)CC3)CC2)c1C#N 1633055791 JPCPJMAWWYIAJD-QAQDUYKDSA-N 408.510 1.710 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](SC)[C@H](N(C)C)C2)s1 1633120891 GUMWRPZDPSZQSP-KGLIPLIRSA-N 403.595 1.259 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H](c2n[nH]cc2NC(C)=O)C1)C(=O)OC(C)(C)C 1633859656 YUYWLOGJDBYSSS-HNNXBMFYSA-N 403.483 1.944 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1634174357 DMBBAKKDLOCVCH-UHFFFAOYSA-N 410.478 1.900 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN[C@H](c4cn[nH]c4)C3)C2)C1 1634964294 DNCUNSDXRLKHEW-ARMXKFQOSA-N 414.510 1.669 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1635079541 UTFJDRYEDCBHJQ-PMPSAXMXSA-N 415.556 1.517 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCn2nccc21 1636440885 KONHDCFMMWOBDJ-HOTGVXAUSA-N 415.519 1.988 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1636586797 ZSBLPYUNCBWSNC-HXUWFJFHSA-N 412.538 1.920 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CCO1 1639633856 OBNSKXRXCQTTCK-INIZCTEOSA-N 423.210 1.887 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cn1 1640012720 IRZAUHGWYMXQIC-BBWFWOEESA-N 402.520 1.429 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C3CCOCC3)CC2)c1 1640216404 QDZQBZDKXSSROC-UHFFFAOYSA-N 404.532 1.857 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1CCOCC1 1640925782 QTVSEGNIVLIFFR-NJAFHUGGSA-N 407.555 1.757 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1641354328 XENTVEVSDIWJQK-HOCLYGCPSA-N 413.565 1.914 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)CC1 1644948885 VYMDVKKLVSKFLS-LJQANCHMSA-N 403.548 1.517 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)CC2=O)cc1 1645158173 IOPHFMUMTXYOLR-RBBKRZOGSA-N 418.497 1.794 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3C(=O)NCC3(CC)CC)ccc2c1=O 1645385275 OKATXDMXNHPMIH-OAHLLOKOSA-N 400.504 1.906 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)c(=O)nc1O 1646146919 CHGWRPNSWRYICH-QLFBSQMISA-N 415.247 1.285 30 10 HDEE C[C@H]1NC(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)=NN(c2ccccc2)C1=O 1652920273 XQWWZIAFMVYAHY-DNVCBOLYSA-N 403.442 1.797 30 10 HDEE C#C[C@](C)(CC)NCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1653662721 MLGNDEXYTJYVCM-GOSISDBHSA-N 413.927 1.691 30 10 HDEE C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1654508184 CYAOLNQYZFRWLR-TWOQFEAHSA-N 407.536 1.815 30 10 HDEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 1655125751 HYKOYBYPAFVBEO-UHFFFAOYSA-N 419.528 1.872 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2csc(-c3ccn(C)n3)n2)c1 1656946064 SQZPDRWHKPHADH-UHFFFAOYSA-N 417.516 1.938 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1658187923 KHNADKBSSZHYOQ-CQSZACIVSA-N 413.496 1.165 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)OC)c(C)c2)n1 1661769339 BTLKICIRSUFUJH-UHFFFAOYSA-N 420.491 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2CC2CCOCC2)C1 1671495083 KVSGPVRWAJCZMJ-RCCFBDPRSA-N 422.526 1.973 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1677045022 MEZZDFWBXJOEAY-UHFFFAOYSA-N 418.563 1.758 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1678916715 FOWWJULZTWVBIN-OAQYLSRUSA-N 403.479 1.411 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680779328 VVUQWKIDDWHODF-VQTJNVASSA-N 406.490 1.809 30 10 HDEE C#C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 1683513146 XYXLYZSTJNKGEH-CZUORRHYSA-N 407.312 1.885 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1685830375 VDMNZLOEBLRZJA-UHFFFAOYSA-N 406.552 1.220 30 10 HDEE CNC(=O)[C@H](CNC(=O)NCCn1cnc(C#N)n1)Cc1ccc(C(F)(F)F)cc1 1686407920 NLIOLDHGXIHESC-ZDUSSCGKSA-N 423.399 1.073 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689996969 SIOPZFOITKMSFW-GVDBMIGSSA-N 410.540 1.256 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCCS1(=O)=O 1690033217 SRIGKLPOOYMQER-ROUUACIJSA-N 422.551 1.432 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690169917 SAYZOPOUCGTEQK-QGZVFWFLSA-N 413.551 1.636 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690672989 KHOLAIOPGYTRBC-AWEZNQCLSA-N 410.400 1.334 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705491681 GRZXUUWOPXITMZ-YJBOKZPZSA-N 402.520 1.833 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1705565067 FSQIRZYGAIYJMF-ZDUSSCGKSA-N 410.450 1.407 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705575989 BZKMQWOARLXAKJ-IBGZPJMESA-N 418.906 1.221 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C2CCCCC2)CC1 1705631998 FOAKICMBMCRYTD-UHFFFAOYSA-N 415.586 1.436 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705734177 GBKMHJRGCHUPPG-KRWDZBQOSA-N 415.542 1.964 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1705843790 NQBFFERMSIJAIF-QGZVFWFLSA-N 417.535 1.509 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1705886037 MXWBOIMVPGHBCK-INIZCTEOSA-N 400.527 1.735 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1705907972 DFXKEVBGHWOYCX-UHFFFAOYSA-N 422.493 1.396 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC)C2)nnc1[C@@]1(OCC)CCOC1 1705909229 QNXUYTNAYIPJIB-OXQOHEQNSA-N 407.515 1.238 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1709900591 CUHRFJIYGDOPPF-UHFFFAOYSA-N 421.505 1.402 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H]1C 1710897501 CYSWPHXBTVUCTP-LSDHHAIUSA-N 402.524 1.991 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711155220 WRPFTZNTGFLWNK-GJZGRUSLSA-N 419.507 1.556 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C1=O 1711272718 UDOGBKRELCYTNJ-NRFANRHFSA-N 410.478 1.434 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722278453 MKIKCHBDQBQTQY-PSHVLCQKSA-N 419.570 1.887 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1722381683 AMZNEJBQRGKITC-LJQANCHMSA-N 401.474 1.792 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1722387202 APWSMUVTOQGPHL-KRWDZBQOSA-N 424.509 1.600 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCC1 1722396037 FNONUYYMYQDIQJ-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1722422014 URMYJWCIPCDOKE-UHFFFAOYSA-N 420.517 1.768 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722458764 SHBGWLBSRMPMNW-INIZCTEOSA-N 401.540 1.582 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722462660 QDNQWZQDIHWYKZ-SFHVURJKSA-N 405.568 1.719 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1 1722506011 LGPYTDAXNJGQQB-SJLPKXTDSA-N 417.535 1.865 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1724017805 FRYDPVYKFPNLMM-QFIPXVFZSA-N 421.505 1.577 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1728794275 HFKHVANNAAZAIK-WOJBJXKFSA-N 417.489 1.771 30 10 HDEE CCO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728947553 QUHPMMJBSUDIRL-HIFRSBDPSA-N 422.511 1.407 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1729761812 AGSOFMODWRGSFZ-IRXDYDNUSA-N 422.489 1.731 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740533217 ACQGYDKCVAKRQD-IERDGZPVSA-N 405.543 1.939 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740549266 LGXPMMHGZUIRIS-ZNMIVQPWSA-N 404.515 1.990 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1740580759 HOHJVMZYGUPJGL-HNNXBMFYSA-N 417.535 1.873 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740640926 ZLPOEQJNXIVXLC-QGZVKYPTSA-N 405.502 1.357 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)C1CC1 1740644046 ZCPGLNUFRBWREC-UHFFFAOYSA-N 400.486 1.880 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1740674375 DPRQWABWABFRAE-UHFFFAOYSA-N 418.461 1.399 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1740711691 RQIBSSUVTJQQCD-UHFFFAOYSA-N 419.576 1.605 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740759182 ARLYVTBJNHNWRP-CGTJXYLNSA-N 423.583 1.997 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740808936 CVGPLQGDPXIASE-OLZOCXBDSA-N 409.874 1.998 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCOCC1 1740882581 QPADAFCEYQNVEY-UHFFFAOYSA-N 410.482 1.740 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1740895194 UOYCTAFIQOOIPE-UHFFFAOYSA-N 406.446 1.881 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1740901233 LIYCFFODOGQBAK-HNNXBMFYSA-N 404.421 1.758 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)C1 1740970767 QIILXDIVAFCQCV-OAHLLOKOSA-N 400.483 1.868 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1741983183 HOCBXVYSIVSKTI-RDTXWAMCSA-N 402.890 1.909 30 10 HDEE Cc1cc(CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)no1 1742124790 LGLBMPSULDSRCT-CYBMUJFWSA-N 416.463 1.626 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748708034 SHLLQLLERFANRN-KRWDZBQOSA-N 409.494 1.560 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](COC)OC)CC1 1748999444 WKLCUZBOWNPRQO-FQEVSTJZSA-N 413.522 1.582 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1749671654 GKGOXLVWNIGSJC-FQEVSTJZSA-N 400.458 1.012 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1749703867 QLDOXNGRWXFPTM-HRAATJIYSA-N 401.486 1.932 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1750095934 OWCZPDDVXIKBOZ-STQMWFEESA-N 415.479 1.506 30 10 HDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1750330855 KTZPDYXRTWIDHI-ZIAGYGMSSA-N 416.573 1.102 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750377928 CGSQZEZXRQORFA-KSSFIOAISA-N 404.471 1.141 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccccc1F 1760095136 HJRRTGXECOFQAM-AWEZNQCLSA-N 400.458 1.443 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760163543 ZYWBKAVOJMTMCC-ZWKOTPCHSA-N 420.521 1.962 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1ccnn1 1760205869 LSONABHGZLXPQK-IBGZPJMESA-N 403.446 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cn2ccccc2n1 1760217526 FTMQESMFHZILPF-GOSISDBHSA-N 401.474 1.583 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1760220546 NJFONKVAZGECBP-FQEVSTJZSA-N 404.518 1.985 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1760259115 YHVJBUSDGUPILG-UHFFFAOYSA-N 406.490 1.113 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760335144 LRDJQXAOZPXKJC-OCABDXPQSA-N 405.499 1.060 30 10 HDEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC)C1CC1 1760475439 HNEKSPZDSSCCCD-HZPDHXFCSA-N 411.572 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(COC)CC1 1760553887 KXUNLSJQNJYNHV-UHFFFAOYSA-N 422.555 1.532 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1761728605 ATTKSJVKIWAOJR-VGOFRKELSA-N 424.505 1.681 30 10 HDEE CC(C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763060195 PRAKHGLZGNJFGX-ZFDMEJTGSA-N 402.499 1.932 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2([S@@](C)=O)CC2)CCOC1 1767449943 HSYXKRFKVHCSDO-VQVCGRPDSA-N 421.567 1.971 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1768670344 AQGNWCAWUNZOQD-MSOLQXFVSA-N 410.478 1.169 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1770159656 LRGGNUBLLUSDFN-RBUKOAKNSA-N 424.505 1.727 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nccnc1C 1770202111 NRJLEHBFWVRACZ-RIFZZMRRSA-N 415.473 1.785 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1771350681 XRDGXURDIHSIDI-KRWDZBQOSA-N 412.475 1.400 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn[nH]c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772793790 XUOJTFJTRJSADG-AWEZNQCLSA-N 400.391 1.600 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)C(=O)C12CCCC2 1853684676 UUGXBLLFNSHWJA-HNNXBMFYSA-N 402.520 1.840 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2=O)CC1 1853765207 GEWOVDMKFJLPST-IBGZPJMESA-N 407.474 1.540 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cncc(OC(C)C)c2)C1=O 1854167466 HIYUCEMDHUPUKA-ROUUACIJSA-N 400.479 1.329 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)c2ccccc2)C1=O 1854798059 IXCKTAWZYLZIEX-LJQANCHMSA-N 404.474 1.690 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC(n4nccn4)CC3)CCC2=O)cc1 1855006931 GZKZWURJHSVXMG-LJQANCHMSA-N 406.490 1.795 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)CCN1CC(=O)c1ccc(C#N)cc1 1855146523 KGYCOBSKIIHDLX-BTYIYWSLSA-N 403.438 1.804 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855224555 IPMHREYJEPBMIP-HZPDHXFCSA-N 404.536 1.689 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCCC[C@@H](N3CC(Cn4cncn4)C3)C2=O)cc1 1855885198 CFKORFOWVMIOMW-HXUWFJFHSA-N 406.490 1.622 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@H](F)CC2CCC2)C1)C1CN(c2nccnc2C#N)C1 1856235124 BLMXEFMDAJCBST-DOTOQJQBSA-N 414.485 1.372 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncoc2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857068445 NXFFSHLODLALOU-HZPDHXFCSA-N 402.495 1.896 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2c(C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857069209 VTHFMUMDTRYXOF-SJLPKXTDSA-N 402.495 1.318 30 10 HDEE C[C@@H](CC(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1ccnc1 1857074095 BCHZBFCEDUKUNG-WMZOPIPTSA-N 407.478 1.051 30 10 HDEE CSCC[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866928210 AMRIQEFONXVHQP-WMLDXEAASA-N 423.560 1.950 30 10 HDEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CSc1nnnn1C 1870306690 YKUMNVKQHPEPCI-UHFFFAOYSA-N 407.496 1.818 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCNC(C)=O)n2CCOC 1873591745 WUPVRPHQVLIOHL-UHFFFAOYSA-N 400.483 1.122 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1885464377 KWRPPRKDHBOYLY-FQEVSTJZSA-N 406.504 1.730 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 1900028159 KZUGXSOZDOKVMU-KGLIPLIRSA-N 401.504 1.848 30 10 HDEE C[C@@H](C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1923682875 GNEHVGJWMNLFSM-AWEZNQCLSA-N 416.389 1.514 30 10 HDEE C#CCC[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2041209954 HDUVLJGZYFKXMY-MRXNPFEDSA-N 406.460 1.239 30 10 HDEE N#Cc1cc(C[S@@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 2074695907 NEJLUIZLMWKYAO-UULLZXFKSA-N 401.444 1.972 30 10 HDEE C#CCN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 2169176305 JDVNVYLVTSNXEM-SJORKVTESA-N 400.541 1.117 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788195 BSTAXAMAFPCGGH-SRGMZFCMSA-N 414.509 1.749 30 10 HDEE N#Cc1ccc(OC[C@](N)(C(N)=O)C2(Br)CC2)c(Br)c1 2206610123 ZNFDHGZCXFHWRY-ZDUSSCGKSA-N 403.074 1.810 30 10 HDEE C[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243386912 JXZAMOCGIJAUQF-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2243389583 VNWFDLDTOWVOQI-LBPRGKRZSA-N 408.260 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402627 KVCVRQFDDHTABB-YPMHNXCESA-N 406.292 1.352 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2243424590 ULLXYPRCIQQNHP-STQMWFEESA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2247284787 CJTBXGSTCMWWSM-UHFFFAOYSA-N 423.294 1.596 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CCSCC2)OC1(C)C 2267702581 IWVWAISGVHDRAQ-UHFFFAOYSA-N 404.388 1.757 30 10 HDEE CC1(C)OB([C@H]2C[C@H]2C(=O)NCCCNS(=O)(=O)C(F)(F)F)OC1(C)C 2281931237 SKSVOCQKFBUQAV-ZJUUUORDSA-N 400.228 1.414 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCCS(=O)(=O)CC3)ns2)OC1(C)C 2281991835 GNEJXQMJCKLILX-NSHDSACASA-N 400.331 1.139 30 10 HDEE Cc1cc(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282010970 BLPCQJHXCDUDBU-RYUDHWBXSA-N 401.359 1.907 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315384 NAIITWRNULKPPE-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE COC(=O)CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322798 QVQRMQPJCJWISA-UHFFFAOYSA-N 403.331 1.587 30 10 HDEE CNC[C@@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282342709 LEPZIPORVOPFLC-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)C(C)(C)C 2282351395 ZWARBJCABKRIED-RUZDIDTESA-N 405.351 1.304 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2COCCCO2)OC1(C)C 2282489192 FRAREZCSJRLMHF-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE CCSCC[C@@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508778 AYRWNRFNVTVOSG-GFCCVEGCSA-N 403.379 1.529 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CC1 2282526139 PMQXFIPKXRUNRI-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N=[S@](C)(=O)N2CCOCC2)OC1(C)C 2282537759 VSLIFEQYJVODJC-SANMLTNESA-N 400.331 1.533 30 10 HDEE Cc1ncsc1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846711 NMCQZTPKSXYHIZ-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CO)c3cscn3)c2)OC1(C)C 2282852346 NYZCUMXXQLSOQM-LLVKDONJSA-N 416.355 1.516 30 10 HDEE CN(C[C@@H]1CCCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282862504 DKRBXOXASQSYFL-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC(C)S(=O)(=O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866520 KZLFDENZASWPTF-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2cc(Cl)c(C(=O)NCCS(C)(=O)=O)cc2F)OC1(C)C 2282985616 FVMZWEXKXOBZHO-UHFFFAOYSA-N 405.684 1.553 30 10 HDEE CC(C)(O)[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284384916 LTRHJNXBSIKDQX-NSHDSACASA-N 403.693 1.655 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC(=O)O)C2CC2)OC1(C)C 2284396914 ZOHCHTHZEXDGTH-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401179 FKGMEHJDPAXYNY-GFCCVEGCSA-N 401.315 1.080 30 10 HDEE C[C@@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284416245 VSZMRYKDNMOQDX-MNOVXSKESA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2ccc(CCNS(=O)(=O)C3CC4(C3)OCCO4)cc2)OC1(C)C 2295282829 GGPCJBALSBHBGS-UHFFFAOYSA-N 423.340 1.353 30 10 HDEE CO[C@@H]1COCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2351660717 VUJZSHUJGHOSAF-ZDUSSCGKSA-N 413.121 1.995 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@H](O)c2cc(I)nn2C)n1 2363990999 ZIYSGAYMHCBCFA-RNCFNFMXSA-N 402.261 1.456 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365173220 OVXGCIPIWLGCJH-IFXJQAMLSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365202882 GRCDQRMCZCZSKZ-HNNXBMFYSA-N 401.573 1.472 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2365207555 PLEJDZQQPMQXAF-JYJNAYRXSA-N 402.557 1.721 30 10 HDEE CN[C@@H](C#Cc1cnn(CCOC)c1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2365965529 XHRFPLZMBBHLDQ-FUHYEJFZSA-N 412.490 1.289 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2367813454 DOSFTMKMJZTTFV-CABCVRRESA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 2367829765 CLLYJNMRXYYGHH-KHYOSLBOSA-N 400.541 1.353 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)cc2)c1N 428005433 KTOFSFMIEMFRHB-DXQDZSSUSA-N 401.470 1.565 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 460382546 AMCGSOCSVUGSLX-LSDHHAIUSA-N 413.544 1.191 30 10 HDEE CCN(CC)C(=O)CN1CCCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466101765 JIJNQFBTKFPRDP-UHFFFAOYSA-N 401.511 1.523 30 10 HDEE C=CC[C@H](CC)NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 466379602 ZWQIKQUOMCJYQX-ZWKOTPCHSA-N 402.543 1.906 30 10 HDEE Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 479022230 CADYRHNVCIPQNP-FQEVSTJZSA-N 418.501 1.894 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(Cn2ccnc2)cc1 480137064 KNQUVPZMXMSZBT-MRXNPFEDSA-N 423.498 1.786 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cn(C)nc2C(C)C)cc1 485335138 YLWINZTZIPJWMR-UHFFFAOYSA-N 419.507 1.927 30 10 HDEE CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC#N)CC1 503642221 JZHGWBXUVWNOKN-LJQANCHMSA-N 409.490 1.436 30 10 HDEE Cn1c(=O)nc(O)c2c(C(=O)N[C@H](C#N)C3CC3)cc(-c3ccc4c(c3)OCO4)nc21 511378327 LNVCEXLVPVPRKD-CQSZACIVSA-N 419.397 1.462 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516830569 JUXGFEYVZLZSBQ-UHFFFAOYSA-N 423.538 1.890 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(OC(F)(F)F)cc2)CC1 524517486 IKSARANYVASCNY-UHFFFAOYSA-N 414.428 1.757 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 525096048 NUKZLRSLDAUHBT-INIZCTEOSA-N 403.508 1.283 30 10 HDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 559044467 ZFKNFVWTPGKWBP-KRWDZBQOSA-N 411.462 1.757 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 582253789 AIBLZZATWDTYLJ-OAHLLOKOSA-N 411.553 1.885 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C 587405183 OBQIVSMQAARVKF-COPLHBTASA-N 405.398 1.403 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C 587405187 OBQIVSMQAARVKF-SUNKGSAMSA-N 405.398 1.403 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C 603798683 CUAFAPJUJHEKJE-UHFFFAOYSA-N 405.479 1.914 30 10 HDEE N#C[C@@H]1CNCCN1C(=O)COc1ccc(Br)cc1Br 706116514 WAWGAXGGFXDMMO-SNVBAGLBSA-N 403.074 1.914 30 10 HDEE O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCN/C(O)=C1\N=CC=CC1=O 731862355 DRXFDISLCKEHBZ-QZQOTICOSA-N 409.446 1.046 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(CC(=O)N2CCCCC2)CC1 739838497 OMGFDLUNLCMUAJ-UHFFFAOYSA-N 407.522 1.713 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742290958 VDAJZSVLVKQQKI-AWEZNQCLSA-N 408.499 1.451 30 10 HDEE COc1ccc(COC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 747020709 LIRRYMUHSUIVQA-PKOBYXMFSA-N 412.417 1.954 30 10 HDEE COc1ccc(CNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cc1C#N 747079097 HMCZGPNLJNIQRB-UHFFFAOYSA-N 406.446 1.574 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 751970686 DFGRJFYEZWFOPP-IRXDYDNUSA-N 408.545 1.610 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)cs1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 752586356 DDSPOJLIOXJTPB-QWRGUYRKSA-N 407.473 1.690 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ncc(C#N)s1 759631490 HMDPDPKCHYQJMN-CQSZACIVSA-N 422.488 1.683 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn(-c2cccc(Cl)c2)n1 766988900 UARAIBBQJHVTSW-UHFFFAOYSA-N 417.834 1.920 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 767701225 WPNOXNADQIFZKG-INIZCTEOSA-N 424.519 1.469 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)[C@H]1CCS(=O)(=O)C1 774049724 VNIBAFVOSXDTLH-LBPRGKRZSA-N 416.402 1.729 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2nc3c(cc2C#N)CCCC3)C(=O)C1 776350106 IRRVNNNREZVHQP-UHFFFAOYSA-N 413.478 1.850 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 777853806 RBRDBICTSNICDG-UHFFFAOYSA-N 413.503 1.161 30 10 HDEE C[C@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 787753989 DYUIKFBCOOXTIK-OAHLLOKOSA-N 412.515 1.740 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 788693849 GRVDRXAJPFCXKJ-UHFFFAOYSA-N 405.499 1.637 30 10 HDEE CC(C)=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 790704895 GGIHTJRWFUVYCZ-QAYQYMSWSA-N 417.579 1.958 30 10 HDEE N#Cc1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1F 791453990 IZERFBHLFPORET-QAPCUYQASA-N 422.409 1.704 30 10 HDEE CCOC(=O)C1(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCOCC1 796992166 IEQXQXTUTKZWDB-UHFFFAOYSA-N 400.840 1.376 30 10 HDEE C=CC[C@]1(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 804732612 VBSMGPXPKSRFHS-GSGOXKDTSA-N 420.510 1.969 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 808465571 XQRZBRUSFCNTPN-UHFFFAOYSA-N 412.471 1.272 30 10 HDEE C[C@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 809248354 BPYXMLTVDKUNKC-XOIDGJRKSA-N 416.821 1.193 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(N=Cc2nccn2S(=O)(=O)N(C)C)C1=O 814746371 WCNMIFNYGHWSBB-KRWDZBQOSA-N 412.516 1.543 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CC1 849519999 UQGYVSDDOIFKSC-HKBOAZHASA-N 400.571 1.926 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 914594519 DMHUHAARBLUMEJ-OAHLLOKOSA-N 411.414 1.446 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnc3n2CCCC3)C1=O 917701512 NWHBKIBUVMXSAZ-HNNXBMFYSA-N 423.502 1.754 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 918754802 HEGAGBCBFHBGSI-NDDJGDGRSA-N 414.527 1.587 30 10 HDEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1=C(O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@H]1C2 1088692799 WIGMJSZAYZPVGO-GTNSWQLSSA-N 410.426 1.968 30 10 HDEE C#CCN(CC#N)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1128291236 JYTUFEAZTWPCPN-HXUWFJFHSA-N 407.467 1.320 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc([N+](=O)[O-])cc2I)nn1 1129930999 ZTEBIFLBQKLAHB-UHFFFAOYSA-N 413.175 1.907 30 10 HDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130774497 NMQJINKRIOLJKU-OQUILHJVSA-N 411.462 1.264 30 10 HDEE C#CCN(C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1CCN(C)CC1 1134266496 SAERTXIYMSQNEV-INIZCTEOSA-N 406.527 1.010 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1134429257 VMSXNCMMUCFWEA-BEVDRBHNSA-N 421.519 1.176 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1154896526 VESCMXSLDQHZOU-IBGZPJMESA-N 400.504 1.840 30 10 HDEE C=CCCC[C@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OC 1155475236 NVXVHHNCDPCSAQ-JSGCOSHPSA-N 400.522 1.602 30 10 HDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCO[C@](C)(C#N)C3)ccc21 1161861261 UFHHKIZRWZXANK-HXUWFJFHSA-N 414.466 1.098 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 1163271773 KQLYUOBPEAVSFF-UAGQMJEPSA-N 419.503 1.336 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@H](N4CCOCC4)C3(C)C)CC2)o1 1164314726 XKZWWLBTLHKUDW-ROUUACIJSA-N 401.511 1.687 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1=O 1166524099 FOJOLEKUBCGCNT-UHFFFAOYSA-N 416.743 1.185 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1194086560 BAZXSNZKPGYUQZ-KZNAEPCWSA-N 412.508 1.269 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCc1ccccc1)C(=O)NCC(=O)NCC#N 1227976760 VUFGIIXZPNNESW-UHFFFAOYSA-N 403.483 1.405 30 10 HDEE CN(C)[C@H](CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1248376393 XRHVQEWLYYKAIN-JKSUJKDBSA-N 411.428 1.841 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1248582742 UJTRVLIZKJPQFN-NSHDSACASA-N 406.291 1.315 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@H]3CCCS(=O)(=O)C3)CC2)c1 1251595271 BHKZCDMZCUEQJB-SFHVURJKSA-N 404.536 1.647 30 10 HDEE C[C@@H](CN1CCOCC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1271082067 GAXLXODDHGEVEY-GOEBONIOSA-N 404.898 1.744 30 10 HDEE C[C@@H](CN1CCOCC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1271082070 GAXLXODDHGEVEY-HOCLYGCPSA-N 404.898 1.744 30 10 HDEE Cn1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c(I)n1 1274947601 GCVQLYXQAOFDTC-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1286296664 QORMNHQKHDFBLZ-HUUCEWRRSA-N 406.483 1.856 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286321328 NDJMUAQAFMSTGP-UHFFFAOYSA-N 402.524 1.615 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CCC 1286365775 JBGOPTQDLPLUFD-HXUWFJFHSA-N 419.551 1.816 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1286379261 LRBAIYJVOLYPQG-LJQANCHMSA-N 423.517 1.994 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389343 IGKXVHMBRWWQJA-QGZVFWFLSA-N 406.552 1.868 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286390308 AFIKWGGENCVLFI-KSZLIROESA-N 406.552 1.672 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCC(OC)CC1 1286464931 HDRVRJOJCOKEDX-DAWZGUTISA-N 403.527 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccccc2)CC1 1286495354 ZIJVSXSUSHWFMO-IBGZPJMESA-N 423.517 1.827 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)CC1 1286663613 OBJXSAAAUYYWSO-HNNXBMFYSA-N 415.947 1.766 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1286749691 XQUXHRKTVVWJAO-MRXNPFEDSA-N 417.535 1.895 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)c1 1288175500 UIMXTDHYSCTYQM-WOOFSFRISA-N 407.348 1.440 30 10 HDEE C#CCC1(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CCOCC1 1288975020 PZOCQVPTJLQHGG-UHFFFAOYSA-N 420.531 1.979 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1295056787 GQYCXAWVSZHURD-GOSISDBHSA-N 412.494 1.537 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CSCCSC1 1297335621 QUDSSKRFGNGKNM-PBHICJAKSA-N 404.561 1.861 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1298425642 KGRREMDUIJZLRE-OAHLLOKOSA-N 411.386 1.486 30 10 HDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1298587468 ZSXLVBNKRCVIKA-CYBMUJFWSA-N 405.303 1.504 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)C1 1298906967 DUHCIGURUWKBIX-KRWDZBQOSA-N 406.527 1.850 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1298972338 XCYJFCBJCIAZSJ-ZDUSSCGKSA-N 406.437 1.917 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1300309530 UMEOXZMRFYDNSB-WMZOPIPTSA-N 411.510 1.325 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300400364 FFXZJFKMTYHYAW-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300412301 UUXMFXIYMPQTAM-QUCCMNQESA-N 400.571 1.879 30 10 HDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300419400 KQHOAQBNDPFVJN-IBGZPJMESA-N 420.517 1.014 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1300619371 WRLFOZRYJCLEFN-QFIPXVFZSA-N 406.490 1.813 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1300700486 RBJOQNNJODRASZ-YMGMXPECSA-N 405.568 1.229 30 10 HDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1300844681 QKJHFTGMXDYIOU-LLVKDONJSA-N 421.255 1.643 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1)c1cc[nH]n1 1300971070 CRKDXUOSMSBREN-KGLIPLIRSA-N 422.482 1.520 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301033545 FOUNCNXKFLDGST-UHFFFAOYSA-N 415.889 1.556 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCNS(=O)(=O)CC)CC1 1301059177 RETZULJVLBPNJG-UHFFFAOYSA-N 412.560 1.292 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301473970 PFPINPIKWRTGSX-YLJYHZDGSA-N 402.499 1.607 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)C1 1301492924 RORRLUOKSMZFPZ-INIZCTEOSA-N 420.473 1.795 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1301605986 GJRPNKIHZAOCGE-UHFFFAOYSA-N 403.556 1.950 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1nc(C(F)(F)F)cs1 1312597579 UKPHGTQCAHUZOK-SSDOTTSWSA-N 414.369 1.623 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1316265729 YSNPYBXDCPCBJU-INIZCTEOSA-N 412.494 1.537 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1316535773 AEBLJHXDTWOHPJ-QGZVFWFLSA-N 407.540 1.737 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)NCc3ccco3)CC2=O)cc1Cl 1357518065 ANDMHVJAQLQUNY-CYBMUJFWSA-N 400.822 1.590 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(O)CCC2)c1 1358900057 AKTIIEMZZMWWII-UHFFFAOYSA-N 424.505 1.388 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1358943790 WBIKZRIZTZXDAK-UHFFFAOYSA-N 401.434 1.442 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(=O)NC 1358981005 RYZMCBVDHQCIHQ-UHFFFAOYSA-N 403.490 1.362 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)(C)C 1358984457 WBAKKABCDOEPNK-UHFFFAOYSA-N 421.505 1.551 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1359271892 GGGROSKNVRKNQR-MRXNPFEDSA-N 410.540 1.290 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1359302950 YYMAYMNHDBVSBE-FQEVSTJZSA-N 408.441 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359332779 HACDDTCTCLQDOT-QFBILLFUSA-N 412.556 1.462 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1360792639 XLBDLYSDFYOGEK-AWEZNQCLSA-N 408.453 1.955 30 10 HDEE C#CCN(C(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1)[C@H]1CCS(=O)(=O)C1 1442015697 FUUJFHNRZYSTBO-INIZCTEOSA-N 400.456 1.634 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CN(C)CCN(C)C2)n1 1442967102 YDYMDJDXHAGZHF-UHFFFAOYSA-N 407.569 1.232 30 10 HDEE C#CC1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1452178177 QLPXTXRSSIXIDK-IKGGRYGDSA-N 410.536 1.528 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CCO)c1ccccc1F 1452181955 CXWDTGLQODPNJS-SCLBCKFNSA-N 405.451 1.604 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)c1 1454449378 FPZZNPNBQRAENT-UHFFFAOYSA-N 411.288 1.775 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1454975583 NZDTVRMBAVPDGS-UHFFFAOYSA-N 408.414 1.314 30 10 HDEE C#CCN(C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1456086082 MDJZLMGJEPPWCY-IIAWOOMASA-N 401.406 1.818 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)c1 1457383631 GUOUVSLSWBLFLU-ZDUSSCGKSA-N 402.398 1.918 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](n4ccnn4)C3)C2=O)cc1 1461059972 XFFYZRZHZFXYNI-IRXDYDNUSA-N 407.434 1.218 30 10 HDEE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1462108739 JUFBTZLKLBLYJR-HNAYVOBHSA-N 408.476 1.557 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c1 1466083786 YYWAFGSDKCMXKE-RXVVDRJESA-N 417.575 1.582 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)ccc1OC 1467676810 AUCIBPSEAGPFSQ-CKFHNAJUSA-N 407.492 1.888 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1C[C@H]1c1cccc(OC)c1)c1cc[nH]n1 1469022675 PTNUOPLIESMDKC-HOCLYGCPSA-N 400.435 1.622 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 1470391425 FMGDGBZIKPVVST-AAEUAGOBSA-N 405.398 1.405 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)/C=C/c2ccccc2C#N)C1 1470669052 FOXTXILJLZHXIO-CMDGGOBGSA-N 410.474 1.909 30 10 HDEE C#CC[C@H]1CCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473788528 NVHZBHLDARLYRK-CVEARBPZSA-N 419.526 1.044 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1475378989 ANFWTFVUKISYKI-OALUTQOASA-N 406.504 1.842 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1478822699 BSQXLBPCSDBXIO-OAHLLOKOSA-N 401.486 1.972 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1494642737 HRIHDOGCIRFRLW-CWFSZBLJSA-N 402.499 1.184 30 10 HDEE CCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1499061015 ZXSMPZCXACBZGO-CQSZACIVSA-N 404.496 1.358 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1503187781 UKRVDOLMJANNOQ-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1503827526 OFWGXCVCOLSWKP-UHFFFAOYSA-N 406.450 1.238 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 1504265249 GAWUJJSQPAIVNA-HNNXBMFYSA-N 417.473 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1507540511 ZSEGTPOSHKOLTK-JKSUJKDBSA-N 409.556 1.649 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCOCC1 1507675904 HGMMBSAHOLAUSA-UFYCRDLUSA-N 415.538 1.186 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1507711190 PVFYWGHLUCHWFB-QGZVFWFLSA-N 424.567 1.352 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1507868236 GGZQBIACHDXJQV-GJZGRUSLSA-N 417.963 1.988 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)CC1 1507880920 NZQLAFBGZPZVAW-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1508100655 MVLVEVQXZTXXGW-UHFFFAOYSA-N 417.535 1.850 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)cc1 1508100902 QVESFAGVVUXZOM-QGZVFWFLSA-N 410.478 1.169 30 10 HDEE CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1=O 1515787035 BHCJSWUOJKWRBS-GDBMZVCRSA-N 418.523 1.006 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N[C@](C)(C#N)CCc3ccccc3)CC2=O)cn1 1518037958 YXTZIOYRJNBIQN-GCJKJVERSA-N 409.490 1.914 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(c3ccccc3C#N)CC2)[C@H]1c1cccnc1 1520031294 FNEORVSKOUDOGS-RTWAWAEBSA-N 405.458 1.200 30 10 HDEE CC(=O)N1CCC(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1528739681 UZFUWPDAOTVTET-GOSISDBHSA-N 411.462 1.138 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1529164988 CNKNTJCTQIYPJI-KRWDZBQOSA-N 411.414 1.624 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC)C1 1538991774 DKTIBJWJETVPOG-DLBZAZTESA-N 405.510 1.721 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539219346 JANDBUVARSKQKZ-OXQOHEQNSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(C(=O)N(C)C)CCCC1 1539273496 UYIKWKXLQBZWOI-UHFFFAOYSA-N 421.549 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1539556055 IYOSLNOAWGLJOU-NJNPRVFISA-N 414.554 1.578 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NC(C)=O)CC1 1540866098 CFACAFTVCGVIHP-UHFFFAOYSA-N 417.901 1.401 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540872574 SYWKPILHXOQRGH-OAHLLOKOSA-N 414.485 1.367 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCOC[C@H]1C 1540899882 DDLZXBZGWFSEJY-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C)C1 1540904608 OAGCXMJQAXDKIA-CABCVRRESA-N 416.569 1.017 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](C(F)(F)F)C2)nnc1C(C)(C)C 1540908293 FHARJSDRSICBSS-GFCCVEGCSA-N 410.462 1.944 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1541043456 CYOGZTRVNFEVQE-UHFFFAOYSA-N 405.466 1.098 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)COCCO2)CCOC1 1541105438 IXSALMOCLQNYGB-NSISKUIASA-N 407.515 1.720 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCCN(S(C)(=O)=O)CC1 1542548630 AHYDVDJSRWCJOT-OAHLLOKOSA-N 416.544 1.458 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1545310309 QEOHPXUUCVBPSR-KBPBESRZSA-N 407.471 1.068 30 10 HDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1552400289 TYUWDKNMOWJVJY-OAHLLOKOSA-N 410.544 1.241 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CCN2C(=O)C(C)=C(C)C2=O)C1=O 1556439025 CISAJQMMXVBXSO-FQEVSTJZSA-N 406.483 1.784 30 10 HDEE Cn1cnnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1557296203 HZJZNHOKADNZBO-CQSZACIVSA-N 413.869 1.042 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)cc1 1557438340 RDJSHPXHXHDYNZ-KRWDZBQOSA-N 421.482 1.796 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](CC(F)(F)F)O[C@H](C)C1 1557616664 YIMMUUHJRRJLGT-DYEKYZERSA-N 419.425 1.793 30 10 HDEE N#CCC1(O)CN(CC(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2)OCO3)C1 1559779548 ARJCUKLHMYLFMX-UHFFFAOYSA-N 408.414 1.566 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1564798525 DPWSSTRAEWEJTE-IBGZPJMESA-N 416.503 1.684 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(F)cc1 1564995599 BUHGXIOLDUTNHH-UINJJDOFSA-N 422.478 1.698 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3cnc4n3CCOC4)c(C#N)c2N)cc1 1566186317 BTTUVDOJGTWKPM-UHFFFAOYSA-N 405.462 1.724 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1568915216 UYSZHZWAIUMDRY-UHFFFAOYSA-N 416.507 1.978 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cn(C)cn1 1570166440 ODWABWDKMPMELX-INIZCTEOSA-N 403.508 1.376 30 10 HDEE C=C[C@@H](C)ONC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1583408455 NFWHJFHXWNTZOG-LLVKDONJSA-N 419.297 1.706 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1 1585660591 QWYKGQHBAVRCQC-ZVBWRSRXSA-N 406.460 1.645 30 10 HDEE CN1Cc2ccccc2[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 1587626599 MVQKJPPSKBUHJS-SFHVURJKSA-N 412.471 1.322 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1587676987 ADIVSFVVYAIXOE-HUUCEWRRSA-N 405.499 1.881 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1587683376 IVAKLLGWWXDKII-VYDXJSESSA-N 401.515 1.855 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1587766412 TVWRCZHLLAGYBP-INIZCTEOSA-N 409.556 1.494 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1587804086 UPLVSRIJIWLVNC-CALCHBBNSA-N 415.881 1.836 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1587856674 PFOOHDWIVMFGDN-IAGOWNOFSA-N 409.556 1.303 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCCS1(=O)=O 1587945398 JMFFNJOBYBAUOK-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1588233888 UZBOTNYKIPXEDW-JWIGPWBQSA-N 424.592 1.190 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588292758 ATIOPMNGUJYYRQ-VZCXRCSSSA-N 420.473 1.940 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1588385087 FFKLBMPORVIWKL-MBOZVWFJSA-N 406.552 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](F)COC)CC1 1588955429 WXJBEDSVQLNEHB-QGZVFWFLSA-N 419.526 1.881 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(OC)CCOC1 1589164595 VTTGPAYHPPWFNW-HKBOAZHASA-N 404.511 1.728 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1594829398 JFIZPLXALOYXFW-UWJYYQICSA-N 421.542 1.578 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1595555593 DNCWHTZCPFPKQE-ROUUACIJSA-N 403.575 1.138 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccn(CC)c2=O)C1 1595713559 AUHXKBOSKJCPLY-QGZVFWFLSA-N 407.478 1.746 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595758589 ATJCLMMPBYFTPW-MDZRGWNJSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595776817 FXEDCNNYEYSOBC-QAPCUYQASA-N 415.519 1.625 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1596842452 XCFTXAIYQUWBCC-OCCSQVGLSA-N 401.496 1.514 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1603474008 GSYKCNVFHAHNHE-QAQDUYKDSA-N 421.519 1.893 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3c(=O)nc(O)c4ccccc43)C2)nc1 1611666892 GNBRVVMIOJYHMF-HNNXBMFYSA-N 404.430 1.472 30 10 HDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1612813224 AHMZJZZHEPYRJH-PBHICJAKSA-N 423.477 1.706 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c1 1618333595 FWGFAFQBNKWICZ-INIZCTEOSA-N 418.519 1.110 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(CCC#N)CCOC)c1 1618616360 JDFBLHRCSTWLDE-GOSISDBHSA-N 412.494 1.904 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C[C@H]1O 1618886832 VIXVEGABLONFKR-XYPHTWIQSA-N 415.450 1.393 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1619615363 BIZOBYDZSUIHDZ-GJZGRUSLSA-N 403.414 1.430 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1620149341 ADLXAWJQKPIDPI-QGZVFWFLSA-N 404.471 1.283 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1620355190 HLLRFHUTTNRPFR-BZUAXINKSA-N 409.512 1.216 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCC(=O)Nc1ccc(C#N)cc1 1620428466 LGVNVPDHMKSGER-OAQYLSRUSA-N 418.494 1.475 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1626944656 PWTVMAZVTFZJTK-WTIFFKHKSA-N 404.467 1.513 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)C4CC4)CC3)C2)C1 1627813072 KGPGXWRJZFOFLD-JQHMZKTJSA-N 416.522 1.854 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 1628350510 ABDSAAIHZBQAOX-JOCHJYFZSA-N 405.458 1.275 30 10 HDEE Cc1cccc2c1C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CO2 1630136692 PLAIKUWBXAKJEC-CABCVRRESA-N 413.499 1.932 30 10 HDEE C=C(C)COCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1631477398 MLODRJVEOATIPH-MJGOQNOKSA-N 410.536 1.643 30 10 HDEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOC)C(=O)OC(C)(C)C 1632361305 TYSVEISMDQIKDA-SFHVURJKSA-N 417.506 1.347 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@@H](CC#N)C2)c1 1632704463 GKUFNAGTZNVCBU-INIZCTEOSA-N 420.535 1.599 30 10 HDEE COC(=O)c1ncoc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1633046100 FYFAIMNXAZMLCM-UHFFFAOYSA-N 419.235 1.848 30 10 HDEE CN(C)C[C@@]1(O)CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1634602317 ZKBXDXAMKPHVJP-IBGZPJMESA-N 421.339 1.672 30 10 HDEE N#C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1635475343 FOTHVQGNZOPQNN-CQSZACIVSA-N 424.276 1.864 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC2(C#N)CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1636271377 KJAAZTYEUFRKPQ-KGLIPLIRSA-N 412.512 1.108 30 10 HDEE C#C[C@@](C)(CC)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1636940632 HGUDOJVQMYGZKC-INIZCTEOSA-N 417.325 1.906 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 1636976231 SEYUZZWDDFBXNI-SPPRZUHCSA-N 410.517 1.262 30 10 HDEE N#C[C@@]1(C(=O)N[C@H](CO)c2ccccc2I)CCCOC1 1637106559 SDNUHCVWQJHUTC-HIFRSBDPSA-N 400.216 1.761 30 10 HDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1637823747 DBJICUNPMFOOMO-LRDDRELGSA-N 412.439 1.354 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1 1638075527 RELXNMNHIVKIJB-MRXNPFEDSA-N 412.490 1.408 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCc2ccccc21)NC(=O)CCn1cc(C#N)c(O)nc1=O 1638155518 SMNXDSJRNPFVJV-CRAIPNDOSA-N 424.457 1.379 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cc(Cl)nnc2C1 1639962442 APPFSNYDPDEOTP-UHFFFAOYSA-N 419.894 1.534 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1641476634 QMYPHQYZUZUYID-FQEVSTJZSA-N 407.474 1.624 30 10 HDEE N#Cc1ccc(CC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1643564323 SXQCXRPJQLVLCN-UHFFFAOYSA-N 400.456 1.770 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 1644129570 SNCLEWKYFFZMEE-OBUROTMASA-N 406.577 1.442 30 10 HDEE N#Cc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)c1 1645984186 ZAIIPFBBYJQREH-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CC(Nc2cccc(C#N)c2)C1 1647935817 PTOCBMGRZMZLQI-UHFFFAOYSA-N 404.517 1.733 30 10 HDEE C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125860 SLEKPDRSSIKUML-RRKCRQDMSA-N 418.306 1.554 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1651092057 AVHPRQDQKGPZIY-UHFFFAOYSA-N 412.439 1.041 30 10 HDEE C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(C#N)c(I)n1 1652061257 WREZGDKUNDJNPF-ONGXEEELSA-N 415.235 1.764 30 10 HDEE C=CCCn1cc(CN2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1652242269 WAOJVVLDUSATTI-GOSISDBHSA-N 418.542 1.898 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 1654553695 VPBPIKNSMIOPMC-UHFFFAOYSA-N 402.495 1.118 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c1 1655682998 XGQBMVNHPHEGDY-QGZVFWFLSA-N 412.533 1.190 30 10 HDEE CN(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)C1CCCCC1 1656779071 RGZZWVDKDMCTNX-UHFFFAOYSA-N 404.467 1.014 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1659309076 KNHDQMCDHTVQSO-CVEARBPZSA-N 418.538 1.592 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1662927656 KYXCSLBEZDDYFC-MRXNPFEDSA-N 423.512 1.815 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(S(=O)(=O)N3CCCC3)CC1)C2 1675449611 BHBOFLTXXVPJAC-GOSISDBHSA-N 402.520 1.625 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1677170818 ZSPVGFMSSCIBQZ-ROUUACIJSA-N 416.526 1.010 30 10 HDEE N#CC1(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCC1 1677791189 HNQQFPVWROKVCF-MRXNPFEDSA-N 406.508 1.637 30 10 HDEE COCCN(CCNC(=O)N1CCC2(CC1)CC(=O)C=CO2)C(=O)OC(C)(C)C 1681074901 HOKXQPGVBGXELX-UHFFFAOYSA-N 411.499 1.917 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC[C@H]([C@@H](O)c2ccc(Br)cc2)C1 1682184286 ARFKUWFDQJDFOD-BBRMVZONSA-N 409.284 1.544 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1683329758 PQDKEPRPWOEGBQ-UHFFFAOYSA-N 402.514 1.767 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCN(C)CC1 1683735040 XMHPVBRXCVLDNH-UHFFFAOYSA-N 418.563 1.160 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CCO[C@](C)(C#N)C3)c3nccn32)C1 1685543349 JDLUTUVBXZXHOZ-IFXJQAMLSA-N 416.482 1.598 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1cccs1 1686259056 CPJNBGMTLDWLLA-SUJAAXHWSA-N 403.504 1.317 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690285546 CGXCRKPCAFBDLF-ZWKOTPCHSA-N 401.559 1.410 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690464688 IMQSLQFJWZILRQ-BEFAXECRSA-N 423.539 1.567 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690488646 REKHPJFWXFONMT-GDBMZVCRSA-N 405.524 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CNC(C)=O)CC1 1690663884 HOAXPDHGRGLJQR-UHFFFAOYSA-N 400.483 1.501 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CC)C1 1690684565 IKWNVJJGJVYQPS-MSOLQXFVSA-N 402.543 1.780 30 10 HDEE CCCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1695268067 NYJDSIBZPRTMAP-HNNXBMFYSA-N 412.560 1.835 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1696341941 KXFDGQXHLWEQSQ-LBPRGKRZSA-N 411.388 1.595 30 10 HDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1696437027 RVBBVCQZQZHHTB-UHFFFAOYSA-N 424.509 1.030 30 10 HDEE CO[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697121502 GEJBFKPLRVQTHL-FUHWJXTLSA-N 411.510 1.800 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1705480987 XRTVPDDAHLGONJ-GFCCVEGCSA-N 407.316 1.982 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1705553819 ZKDIFMOXBGINRL-FQEVSTJZSA-N 422.533 1.822 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(-n2cncn2)c1 1705595310 NRTFITGZABEUCX-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN(C)C)c1 1705596500 GJDROOLJWBIGOE-HXUWFJFHSA-N 404.518 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccncc1 1705668613 QAMNILUSAXBLHH-HNAYVOBHSA-N 402.524 1.518 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1705830525 ROWKUTJJBNIDSV-KRWDZBQOSA-N 406.531 1.964 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1705834154 FFORUPOMMFLTOG-CQSZACIVSA-N 403.512 1.515 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccs1 1705884449 OXUJNBXJLHPMCO-KUHUBIRLSA-N 405.524 1.837 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1705907944 CLDPNUMCGRRAAW-FTRWYGJKSA-N 407.515 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705932473 UQKHMIBJLWAJAU-SJORKVTESA-N 419.551 1.747 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(C(C)=O)CC1 1705935440 RMHKCUHCUKSRBE-UHFFFAOYSA-N 411.572 1.526 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706935019 KKKAGOGNRSUGCZ-BXTJHSDWSA-N 415.498 1.638 30 10 HDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)no1 1708987074 GVOOQCJKLITZSV-UHFFFAOYSA-N 406.450 1.283 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1712578297 XYQRXIRQVFCNPL-IAGOWNOFSA-N 421.498 1.071 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)NCCC 1722385066 YZGRYJNEJDMKKM-IBGZPJMESA-N 407.474 1.780 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C)C1CC1 1722644114 NMALKGLZKJRHLP-INIZCTEOSA-N 411.510 1.801 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C2CCC2)CC1 1722728579 XPGJPQJPXPVXHW-UHFFFAOYSA-N 417.539 1.010 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1722732562 MSLVCAQXCFNQSC-UONOGXRCSA-N 417.601 1.811 30 10 HDEE C[C@@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C)N(C)C 1723864029 GIFRVAXBVPQJBJ-JKSUJKDBSA-N 411.558 1.902 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1726448823 MDYRXIKMEDYPMH-MRXNPFEDSA-N 412.494 1.558 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1730761667 CTBXZODZIMGYPT-GOSISDBHSA-N 423.521 1.904 30 10 HDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1730996019 UXOLRKAMPCPHGY-KRWDZBQOSA-N 415.519 1.745 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 1731179679 FHBVCMUVCFWPFE-LJQANCHMSA-N 400.462 1.289 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740654186 IPHWIUYWLAVHEH-HXUWFJFHSA-N 412.582 1.882 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1740656276 JRDKOPKFEWPFLP-UHFFFAOYSA-N 418.563 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCN(C)C1 1740686740 LGRPPHGFQDNZRP-QHCPKHFHSA-N 422.533 1.503 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1740689932 KSTWFZVZIJUJKS-HXUWFJFHSA-N 415.630 1.604 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1740693091 TTWAMSCNKMXAEP-QIJUGHKUSA-N 419.570 1.483 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@@H]2C)CC1 1740693890 QAIJZDHRRIPIPR-SFHVURJKSA-N 412.513 1.560 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](OC)C(F)(F)F)CC1 1740695323 NGGIACWALHTTJW-OAHLLOKOSA-N 411.432 1.401 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(CO)c2)CC1 1740697813 HCWXJXDBEOJKPG-UHFFFAOYSA-N 402.502 1.560 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1740722611 KJNFVNRBZNHNGG-HNNXBMFYSA-N 415.519 1.544 30 10 HDEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1741121755 CALDPZABRCEJTI-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1741804101 XCYOBTOEXMCMBT-MCIONIFRSA-N 405.503 1.881 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H](C)O1 1744988008 BKIZJJHRIGCDDJ-YOEHRIQHSA-N 418.523 1.370 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@H]1CCOC1 1747661023 QAPABFCKVCESGO-OFJJUDJNSA-N 415.519 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1748665546 SLETVLBMLPVCIZ-AUUYWEPGSA-N 404.540 1.857 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1748773460 XKYFNWAWBWGRKB-CQSZACIVSA-N 419.507 1.167 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2nnc(C)s2)CC1 1748992897 JSUDHDYLOZMQNP-UHFFFAOYSA-N 408.535 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCOCCOC)CC1 1749014819 PHLQIBUWBBLBFD-UHFFFAOYSA-N 405.543 1.496 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1750751095 NRPFVGWAXGBFOO-UHFFFAOYSA-N 417.539 1.114 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2nsnc2c1 1750948281 HFJAHMSITLVPJY-GOSISDBHSA-N 414.470 1.911 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1CC 1760165304 NWXVVAJPBMWHHL-OAQYLSRUSA-N 400.527 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C(C)C 1760205358 ZDBNJRMDSMFSRG-UHFFFAOYSA-N 417.517 1.752 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C 1760209762 HSHPTQQKRLOBRX-AWEZNQCLSA-N 418.523 1.258 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1760245564 HZQVCMFCOUZLFP-UHFFFAOYSA-N 404.478 1.664 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CSCCS2)CC1 1760273389 RGXRHJYHSBNMKE-MRXNPFEDSA-N 423.608 1.629 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1760322103 OBOYJSFPLWRNGN-FJIDUMEYSA-N 424.567 1.777 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1 1760333345 DKOPTOXQJXYKND-NVXWUHKLSA-N 413.482 1.605 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)CC1 1760452982 UEDUEZXRJBQCNI-UHFFFAOYSA-N 422.537 1.917 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1ccc(C)o1 1760527314 RZSAETFZDNASIG-INIZCTEOSA-N 412.494 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnccn1 1760551753 QKVVVOCKKVDZJI-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1760560288 RLMLYUTXNCTTGF-KBPBESRZSA-N 403.574 1.423 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1760803930 SRAGPSIMXIPBGJ-HUUCEWRRSA-N 411.528 1.114 30 10 HDEE CC(C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763060192 PRAKHGLZGNJFGX-DCOQFNDQSA-N 402.499 1.932 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC 1767625568 CIFMQTJUUCVBIO-FQEVSTJZSA-N 416.457 1.834 30 10 HDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1770613752 OTCIPHGBBPOKCW-OAHLLOKOSA-N 400.508 1.793 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1770757026 SGYQHVQJKGSCRJ-SFHVURJKSA-N 416.526 1.551 30 10 HDEE N#CC1(c2ccccc2)CCN(S(=O)(=O)CCN2C(=O)c3cccnc3C2=O)CC1 1849741006 BQXWPADOKAWBTP-UHFFFAOYSA-N 424.482 1.565 30 10 HDEE CN(CC#CCNC(=O)C1CCN(S(=O)(=O)C2CC2)CC1)Cc1ccccc1 1850213192 JVCWJYPYHNSIAV-UHFFFAOYSA-N 403.548 1.442 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 1850794755 OJIHKYMXKMLBMC-ZDUSSCGKSA-N 417.874 1.954 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)NC1=O 1851138317 VBTCLZXHGYXMGZ-UHFFFAOYSA-N 416.865 1.513 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CO2)nc1 1851780467 BBQVQYIVYDKTSN-UKRRQHHQSA-N 414.368 1.948 30 10 HDEE C[C@@H]1COCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1852539642 DOSYYGDZZIVQTE-UZLBHIALSA-N 413.499 1.695 30 10 HDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CCO[C@@H](C(N)=O)C1 1852620621 JHNFBFATLDQHCN-AUUYWEPGSA-N 403.442 1.504 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCN=C2C[N+](=O)[O-])CC1 1852833096 ZUWVJXVLNKEJQJ-UHFFFAOYSA-N 410.409 1.979 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(C[C@H]4CCOC4)C3)CC2=O)cc1 1853659620 LWGVKBMBHKMQBH-RTWAWAEBSA-N 410.518 1.272 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCC(=O)c2cccc(C)c2)C1=O 1854166297 AXEHADCEULBGQM-RTBURBONSA-N 411.502 1.804 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCc4cc(Cl)ccc4C3)C2=O)CC1=O 1854213266 NHGLLNFIDRFYRS-FUHWJXTLSA-N 401.894 1.860 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854405447 IVQHJPSESHSSKS-KRWDZBQOSA-N 415.515 1.590 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1854699577 SHZWNHYCBQNOKY-IAGOWNOFSA-N 411.568 1.464 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@@H]3CCCN(c4cnn(C)c(=O)c4)C3)C2=O)CC1 1854704058 XTLWGZHBJNQOJD-IEBWSBKVSA-N 413.522 1.166 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1F 1854957032 UYIXBFGAMMKIHQ-RDJZCZTQSA-N 402.470 1.885 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CC1=O 1855104477 PHSVVQNMMVYUDI-IBGZPJMESA-N 419.547 1.536 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCCc4nc(OC)cc(C)c43)C2=O)CC1=O 1855306521 GFEXUGAAQISCDH-RDJZCZTQSA-N 412.490 1.313 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCN(CC(=O)c4cccs4)CC3)C2=O)c1 1856557770 BHOMJNYPPNSKRL-GOSISDBHSA-N 422.510 1.861 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C(=O)C2)C1 1856839614 JOGJVYWOWBKBES-RBUKOAKNSA-N 414.506 1.184 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)C2=O)CC1 1857069740 YEYWHSUBGFITCG-UXHICEINSA-N 401.470 1.543 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)CSCc3ccccc3)C(=O)C2)C1 1857153062 HHGOCSSEGIFCNI-IBGZPJMESA-N 400.548 1.969 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2=O)CC1=O 1857302801 PFLLATJXYFQXCM-HNNXBMFYSA-N 409.408 1.911 30 10 HDEE Cn1[nH]c(NS(=O)(=O)c2ccccc2C#N)c(-c2ccc3c(c2)OCCO3)c1=O 1858498090 GYXKQOKQLUZNGY-UHFFFAOYSA-N 412.427 1.824 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCN1C(=O)c2ccccc2C1=O 1861528677 NBUNRDZDBXRQBS-LJQANCHMSA-N 405.454 1.702 30 10 HDEE CCCS(=O)(=O)Nc1c(C#N)nnn1-c1ccc(I)cc1 1870098080 LZPZRKHGEFZHRA-UHFFFAOYSA-N 417.232 1.895 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870107249 ZYXIOBSRGMPZQX-GFCCVEGCSA-N 418.388 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C=O)(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 1881628208 AFLNLPIQDCZTRZ-QKKBWIMNSA-N 402.447 1.860 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)[S@@](=O)CC12CC(C#N)(CO1)C2 1882562531 JGEHNEAYFRYYOX-IHUHJJINSA-N 420.487 1.966 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)c1 1889659452 IBPRGDSWFFPRHB-INIZCTEOSA-N 404.492 1.137 30 10 HDEE C#Cc1ccc(OCCOCCOCCOCCOCCN2C(=O)C=CC2=O)cc1 2060424162 ILWNQKHQTZHACA-UHFFFAOYSA-N 417.458 1.038 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2064131588 BXKBFHZHHDYYBN-HZSPNIEDSA-N 419.316 1.641 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1 2119414058 HXGNCOHEOKJDIE-LBPRGKRZSA-N 401.510 1.924 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 2124701414 KYCSXSGASKVXMP-LBPRGKRZSA-N 401.510 1.318 30 10 HDEE N#C[C@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2221962098 XZCXVXOHDXQBCU-LIRRHRJNSA-N 403.460 1.007 30 10 HDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247823767 RFCKCUMXEBLSFF-MRXNPFEDSA-N 415.299 1.359 30 10 HDEE C[S@@](=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2255941312 HDRFJBHNTDLYNB-HSZRJFAPSA-N 413.779 1.358 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267708917 SQDLKRURVKAHCX-MRVPVSSYSA-N 400.253 1.813 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](C)CS(C)(=O)=O 2281961706 PSZIOYLXNLOUCI-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCn3cnnc3)cc2Cl)OC1(C)C 2282309459 FVDXUEABIKLFFK-UHFFFAOYSA-N 418.737 1.271 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](F)[C@H]3CCOC3)s2)OC1(C)C 2282328910 FGSPNMBAFGBWRL-NWDGAFQWSA-N 405.322 1.700 30 10 HDEE C[C@H]1CCC[C@H](CN)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333224 LTSFLOOTOBHLMF-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE C[C@@H]1SCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@@H]1C 2282335669 SPCXLGJMKQKPAT-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CC[C@@H](N)CC3)c2)OC1(C)C 2282341058 NBLKPRDYRTXMIC-XBXGTLAGSA-N 400.375 1.843 30 10 HDEE CC1(C)CCNC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502209 HTVZACGLMPHONA-AWEZNQCLSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H](CO)C3CC3)ccc2Cl)OC1(C)C 2282502829 QKHIAELLTGLJAS-HNNXBMFYSA-N 401.721 1.688 30 10 HDEE CCCSC[C@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502923 RMCSKLHEAUWOON-LBPRGKRZSA-N 403.379 1.529 30 10 HDEE C[C@H](O)[C@H]1CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503338 YOYHLDPVJSJVEW-XHDPSFHLSA-N 401.721 1.783 30 10 HDEE C[C@H](CN(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504292 MTTBHVROOXKCQI-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2C(=O)NCCCS(C)(=O)=O)OC1(C)C 2282562332 PUFNLKBYQSXWBC-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCCCS3(=O)=O)ns2)OC1(C)C 2282600555 WCPRQJCOPUDNCT-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCO[C@H](CN)C3)sc2Cl)OC1(C)C 2282619343 YLMHDBPFOGSHPC-MNOVXSKESA-N 400.737 1.937 30 10 HDEE CCNCCN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282831469 KWNLNJOCMVRIJG-UHFFFAOYSA-N 403.379 1.204 30 10 HDEE CN(C1[C@@H]2CNC[C@@H]12)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282832298 MWUDHRXHBOEJNZ-NXEZZACHSA-N 418.777 1.539 30 10 HDEE COC(C)(C)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833782 KDOAYKNKDFDPTK-UHFFFAOYSA-N 404.363 1.629 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N=S2(=O)CCOCC2)OC1(C)C 2282843912 URGXSULLFDOZJF-UHFFFAOYSA-N 401.315 1.173 30 10 HDEE C[C@@H]1[C@@H](O)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844360 CEEQYYRHWOCNNT-OCCSQVGLSA-N 401.359 1.722 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCN2CCCC2)OC1(C)C 2282866095 DEFQUWIBQIXCNY-UHFFFAOYSA-N 400.375 1.563 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H](CC(=O)O)C(=O)O)c2Cl)OC1(C)C 2284369812 YRYVZCQAXTYXIX-MRVPVSSYSA-N 403.649 1.358 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)C=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1 2325716121 MUVHUGIQGPUUFC-UHFFFAOYSA-N 423.834 1.794 30 10 HDEE COCCc1nnc(SCCCO)n1N=Cc1cc(OC)c(OC)cc1OC 2331305114 PQNRRNUXEPEFDN-UHFFFAOYSA-N 410.496 1.850 30 10 HDEE CCCc1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331641728 YJZWNHUASOISSO-UHFFFAOYSA-N 406.424 1.370 30 10 HDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367855314 HJVQVLJQBHILTF-ZBFHGGJFSA-N 401.525 1.684 30 10 HDEE CC(C)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2370841763 GEJUDOQCBZTCQK-TZMCWYRMSA-N 401.359 1.827 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccccc2OC2CCCC2)CC1 52305036 JAOLAVOAVKNLDA-UHFFFAOYSA-N 414.550 1.544 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O 101764814 ILWDCZCNUZXJGC-AWEZNQCLSA-N 413.390 1.424 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 301408528 NNDOQFQEWNVBDC-UHFFFAOYSA-N 422.869 1.961 30 10 HDEE CCN1CCN(c2ccc(C/N=C(/N)NCc3ccc(OC)c(OC)c3)cn2)CC1 303868853 AMJLZPOHYIMAFN-UHFFFAOYSA-N 412.538 1.845 30 10 HDEE Cc1ccc(NS(=O)(=O)CCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 405086589 PVBUCVYCEXBXLD-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c(F)cccc1I)C(=O)OC 435950628 RWCMDLCJALOQBE-LLVKDONJSA-N 407.179 1.904 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cc(-n3cnnn3)ccc2Cl)CC1 472769838 PJJRSPOKPHULFG-UHFFFAOYSA-N 423.868 1.343 30 10 HDEE COc1cccc(-c2nc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)no2)c1 472990395 OFHFJSAKMKGMLF-UHFFFAOYSA-N 407.434 1.621 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476220614 NYEPVUZANHCYBF-HXUWFJFHSA-N 413.522 1.411 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](c3ccccc3)c3nc[nH]n3)C2=O)cc1 488268967 ZAWSZYQGYRUCNF-MOPGFXCFSA-N 415.457 1.866 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccs2)CC1 492318551 AEEYIQPDJRBYNQ-MRXNPFEDSA-N 404.536 1.189 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@]3(F)C(=O)N(CC4CC4)C[C@@]3(F)C2)c(Cl)c1 503718567 GFGAWYVLZIRSOH-SJORKVTESA-N 415.849 1.885 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505265173 PEKSQCKAAOFLTG-AWEZNQCLSA-N 414.462 1.459 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccncc2OC)CC1 508916892 ALSFBZBQLVSXAB-HNNXBMFYSA-N 418.523 1.096 30 10 HDEE N#Cc1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 509794141 KIVGAFSAVZARBE-UHFFFAOYSA-N 409.471 1.441 30 10 HDEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(F)F)n1 535088768 KPTOIDHYUHSSKP-UHFFFAOYSA-N 409.418 1.376 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 540602309 JPBOJCGOQKDYMG-HNNXBMFYSA-N 416.507 1.367 30 10 HDEE C=CC[C@H](CO)NC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 545367692 FZJIZLOXFXIYFC-KURKYZTESA-N 417.506 1.907 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C[C@H](C)C#N)C3CC3)CC2)c1 548914395 MZPXNAPUJXXHSG-QGZVFWFLSA-N 404.536 1.598 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 554931986 NHBZGNWCNHISHX-YOEHRIQHSA-N 421.523 1.700 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 562025298 XXKUHOVGRMNPOM-KRWDZBQOSA-N 403.508 1.612 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 604195003 ALLTXFJAFGTFFM-MRXNPFEDSA-N 419.913 1.075 30 10 HDEE CN1CC(=O)N(c2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)C1=O 609255716 JJGLSWGDBYYGMG-UHFFFAOYSA-N 409.377 1.351 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(O)Cc4ccccc4C3)C2=O)cc1 610001121 OYVLKMVLACOCEW-LJQANCHMSA-N 418.453 1.409 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)O 681578966 KSWFQAVEBBBYTP-HNNXBMFYSA-N 402.494 1.169 30 10 HDEE CC1(C)OB(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)OC1(C)C 702490998 SVSSVHRVKSSPMJ-UHFFFAOYSA-N 409.722 1.653 30 10 HDEE CN(C)C(=O)[C@H](N)CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 713372175 WYCLZUZPOUVEQX-CYBMUJFWSA-N 415.535 1.978 30 10 HDEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(C3CC3)[C@H](C#N)C2)C1=O 732668925 LIMZGSAZNDBUGW-RHSMWYFYSA-N 402.882 1.961 30 10 HDEE C=C(COC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C(=O)OCC 734032709 LVKXRCJPZGJSNZ-UHFFFAOYSA-N 420.281 1.976 30 10 HDEE CCOc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 743731800 ZVMQOSXKBHBEDU-UHFFFAOYSA-N 421.478 1.672 30 10 HDEE COc1ccc(COC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 747020706 LIRRYMUHSUIVQA-MJGOQNOKSA-N 412.417 1.954 30 10 HDEE CC[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](O)c1c(F)cccc1F 752964562 HOXOJUVFCOISCB-NHTQVWSVSA-N 408.405 1.602 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 753391193 YDZAPRVZOGNCNH-CYBMUJFWSA-N 406.485 1.711 30 10 HDEE CCOC(=O)c1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(S(C)(=O)=O)c1 753545860 IPPNKKSVMXVZEJ-INIZCTEOSA-N 420.491 1.471 30 10 HDEE COc1ccc(OC)c2c1CN(CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H]2O 754350155 TVXNUZOTDVOEIZ-KRWDZBQOSA-N 402.472 1.898 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 756026887 HHVXSYBWKWNKCH-DOTOQJQBSA-N 402.495 1.993 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 756643998 CTBAHZHCLSOIQD-VNHYZAJKSA-N 416.927 1.805 30 10 HDEE C#CCN/C(S)=C(/C(O)=c1ccc2c(c1)CCC(=O)N=2)[n+]1ccc(CCC)cc1 759064443 WSEQSNWCTHFLDA-UHFFFAOYSA-O 406.531 1.664 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(CCO)CCOC1 762568677 HZFUTGRPHAMHSF-JXFKEZNVSA-N 423.535 1.189 30 10 HDEE CNC(=O)c1cccc(CCC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)c1 766977124 QQJIGUNHDIGPLI-UHFFFAOYSA-N 401.444 1.364 30 10 HDEE C#CCN(C(=O)NC[C@H](OC(C)C)c1ccccc1OC)[C@H]1CCS(=O)(=O)C1 771371977 MMAROUZKAXIJRF-LPHOPBHVSA-N 408.520 1.993 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 780215187 QBOYNWIVPCFKDH-FQEVSTJZSA-N 422.441 1.511 30 10 HDEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)CC1 780915355 SGGWPFQWCWTHJT-JOCHJYFZSA-N 412.534 1.773 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)c1 782324369 BCKHNDUNTUELOG-UHFFFAOYSA-N 401.463 1.749 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](c2ccccc2F)N2CCOCC2)n1 790106210 XFIITWOHGVMCLG-OAQYLSRUSA-N 414.481 1.704 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790811292 RBASFVZCOFRKPY-HNAYVOBHSA-N 415.556 1.730 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 795055808 CHQTVTOEDCLHIW-MJGOQNOKSA-N 413.522 1.096 30 10 HDEE Cc1ccc(CS(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c(Br)c1 798860861 FOKXUXHKIWNMEE-JTQLQIEISA-N 412.269 1.428 30 10 HDEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCN(Cc2ccccc2)C1=O 804161129 AQYGFBMTUGCWRP-IBGZPJMESA-N 408.433 1.573 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1-c1ccccc1Cl 814730955 JKQGNXODJFEUBH-UHFFFAOYSA-N 411.900 1.620 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)Cc3cccc(OCC#N)c3)CCO2)C1 817541500 HSIMGBFVRXYKGH-UHFFFAOYSA-N 401.463 1.980 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)ccc1F 819391228 IFJNXKNEMLOIHI-NUJGCVRESA-N 422.482 1.635 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1 1084459228 BQXGVKUEAAHCEL-UHFFFAOYSA-N 418.508 1.942 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 1124551627 XPVCDEQQNFCNGU-UHFFFAOYSA-N 402.451 1.558 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)ccc1F 1129764960 PJRIJBUJDHQSAL-GDBMZVCRSA-N 422.482 1.674 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1131309384 LGJDADMOXYHDDE-LIRRHRJNSA-N 403.460 1.386 30 10 HDEE COCCN1C[C@H](C(=O)Nc2ccc(C#N)cc2I)CC1=O 1133966875 AOSYUCPPLXAGKH-LLVKDONJSA-N 413.215 1.596 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@H]1CS(=O)(=O)C2 1134429047 MGUIBFRPDUDAKZ-MEDUHNTESA-N 421.276 1.403 30 10 HDEE N#Cc1c(NC(=O)c2cnn(-c3ccc(Br)cc3)n2)nc2n1CCOC2 1135005655 DEXQRLLKAYQXBV-UHFFFAOYSA-N 414.223 1.880 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1138078547 BWGIVBIDQUXUOO-ZDUSSCGKSA-N 412.817 1.393 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CCNC4=O)CC3)CC2=O)cc1Cl 1141972144 AGEBHKFTYNOXAF-CQSZACIVSA-N 415.881 1.581 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CC(F)(F)CO)CC2)CC1 1143940338 YZTYMPFZXXLRFA-UHFFFAOYSA-N 415.481 1.409 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(C)C 1144204454 PRNZDEFVXUIUSR-QZTJIDSGSA-N 422.570 1.879 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1158216041 PLYAADRYSWVLAE-UHFFFAOYSA-N 404.517 1.959 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 1191192992 JFSCRSABWDMTDE-RTWAWAEBSA-N 411.550 1.573 30 10 HDEE C[C@H](NC(=O)CNC(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1 1195877071 QPNMPBVZVZBUNM-MGPUTAFESA-N 412.465 1.656 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1211463963 DWERIRKTGBJROU-CVEARBPZSA-N 422.507 1.225 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 1221868607 RVVCKTIQXZFOKE-HXUWFJFHSA-N 414.550 1.997 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1224033275 PTHGWAHOHIDKHA-AEFFLSMTSA-N 405.520 1.651 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1nn(C)cc1I 1246899488 QKIUPKBRLLCFFF-MFKMUULPSA-N 404.252 1.805 30 10 HDEE CCOC(=O)c1sc(CC2CCN(C(=O)NCC(=O)NCC#N)CC2)nc1C 1248537300 PYRZYGTVSMRGBR-UHFFFAOYSA-N 407.496 1.232 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)C1 1255363520 KVMHNOWPIOINAU-QZTJIDSGSA-N 408.543 1.487 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1286312755 ZVLAXIRMLSOCSH-SFHVURJKSA-N 413.526 1.630 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1286349650 LKAAQWDUFFTOHD-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286397024 RBBQEQIERLPMHI-OAHLLOKOSA-N 408.549 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286450618 FENYDJGOUKZVCP-KUHUBIRLSA-N 423.539 1.465 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)cc2C)CC1 1286470175 ULZJYDROLZZBCU-UHFFFAOYSA-N 412.513 1.862 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(=O)N(C)C)CC1 1286473540 OXGWPMULFFNRDY-UHFFFAOYSA-N 418.505 1.179 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCO2)CC1 1286487227 DUIGBHWPDRQGDA-FUHWJXTLSA-N 419.526 1.147 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N(C)C 1286520094 WHLYSOXTXLSQIF-HXUWFJFHSA-N 417.535 1.837 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N2CCOCC2)CC1 1286652660 IYQISUCXMPGOKJ-UHFFFAOYSA-N 416.526 1.165 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1286788729 DRVFTENPHITNHN-OAHLLOKOSA-N 400.458 1.012 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 1292139679 IPTWXKABGFKIOB-SFHVURJKSA-N 402.495 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1300320673 HIUYSRDKZQUPCG-OKZBNKHCSA-N 402.543 1.358 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300323134 WVCVFQATBHNCGR-OXJNMPFZSA-N 418.519 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1300579763 WJXKNWDYYLVDBX-MRXNPFEDSA-N 417.535 1.050 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCS(C)(=O)=O 1300613566 KTOWVYZRXJURKB-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1300643046 GHUQEYZEPAXRMZ-HRAATJIYSA-N 400.479 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccn(C)n1 1300655084 NUTRPCWMSRWFFB-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1301617758 GZRCZXDRCHGRHM-UHFFFAOYSA-N 418.571 1.520 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 1302558839 BEBUGVRQHYCTQN-HIFRSBDPSA-N 413.455 1.375 30 10 HDEE CC(C)c1nnc(N(C)C[C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1302584535 HXNOYMJPCBVTAN-KIJUOZEOSA-N 402.499 1.933 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2CC[C@@H](N(C)C)C[C@H]2C1 1305367551 FITMNRHSQZNXAN-LEUOFYLZSA-N 404.536 1.414 30 10 HDEE CC[C@]1(C)CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1305882362 MXVNKPYYEKSDQC-TXSJJRPESA-N 402.499 1.933 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)C1CCOCC1 1310010788 UKDGXKMPEGPHRH-MRXNPFEDSA-N 407.492 1.686 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)CC2)cn1 1311591878 CONSCYJJMJIVOL-JOCHJYFZSA-N 420.517 1.858 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1312487187 WJLQUFSGOKGBKB-YESZJQIVSA-N 410.434 1.575 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1316526926 DZIQEUXEBLWBTP-YWZLYKJASA-N 417.489 1.464 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1352905798 UQFVSRAAKDIQIZ-AWEZNQCLSA-N 419.453 1.902 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1355355184 XYPVSDNNCDXLEH-GOSISDBHSA-N 403.479 1.459 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1358948595 GCWNYGFOKNSTSQ-OAHLLOKOSA-N 404.492 1.337 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1358959641 MZJNUDJZTTXJII-OAHLLOKOSA-N 416.503 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)C2CC2)CC1 1359044953 SFGSEXWJFDJMIM-MSOLQXFVSA-N 401.511 1.173 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359048439 QTKRTDNIZXMGEB-JKSUJKDBSA-N 416.551 1.128 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359082215 CCWCIFJEGVBSMN-DGAVXFQQSA-N 410.316 1.857 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC1 1359116111 YDEJSCLFCIKLFU-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359129716 KUOWJMMBQOWQHQ-QGZVFWFLSA-N 412.494 1.760 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnnn2C)CC1 1359174380 BDSTUEIQYUVBDP-HXUWFJFHSA-N 401.515 1.898 30 10 HDEE COC(=O)c1cn([C@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)nn1 1435818783 KGBDOLXKTYXZMB-AWEZNQCLSA-N 418.251 1.715 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@@H]43)cc2)nc1 1451161664 PKHQRHQEMONSOO-ROUUACIJSA-N 413.455 1.774 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCc4cnccn4)CC3)n[nH]2)c1C 1455082624 ZBDBAYYEYWJZHO-UHFFFAOYSA-N 420.521 1.867 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NCc2nn(C)cc2I)c1 1460199110 VQDIIAJUADSDBG-UHFFFAOYSA-N 409.231 1.892 30 10 HDEE CN1CCC(N2CC[C@@H](NC(=O)COc3cccc(Br)c3C#N)C2)CC1 1465000495 GHVURRAWXLWBRQ-CQSZACIVSA-N 421.339 1.984 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H](OC)C(F)(F)F)c(C#N)cn1CCOC 1466104327 FODAUZBNXIMNSC-NSHDSACASA-N 406.361 1.882 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1468164757 DMUHSNLBEULXQJ-UHFFFAOYSA-N 403.416 1.202 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1468580807 VNAMAOYIXPTDCM-OCCSQVGLSA-N 418.441 1.956 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CSc2ccccc2O1 1469425015 ZFTKBXJLSXBCSE-ZFWWWQNUSA-N 417.512 1.895 30 10 HDEE CC(C)(C)CCOc1cnccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1470412311 GKHNACLVNLIUJT-JXFKEZNVSA-N 420.535 1.976 30 10 HDEE O=C([C@@H]1CC(=O)N(Cc2ccccn2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618542 XTIRCMVIVWMQLG-OAHLLOKOSA-N 422.441 1.334 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1475474227 OYGWJCYMKATESD-INIZCTEOSA-N 414.549 1.684 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1475880334 QZNXZSFZNNUCMN-YQQAZPJKSA-N 411.524 1.933 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCC1 1497084474 BHHDDXMVUMKKHO-KRWDZBQOSA-N 403.531 1.411 30 10 HDEE CCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1499061014 ZXSMPZCXACBZGO-AWEZNQCLSA-N 404.496 1.358 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)CCC1 1502400561 IEQQSLBFNXXZBP-CABCVRRESA-N 422.555 1.225 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1503052465 SDSGEGDOVSPNBS-MNGLYYNBSA-N 402.499 1.966 30 10 HDEE COC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1504700845 IHVAELBFPMDWLE-ZIAGYGMSSA-N 405.480 1.166 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCCO)CCN1C1CC1 1505321066 FOCZXDHGHYBJKM-GOSISDBHSA-N 415.542 1.243 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2cncc(C#C)c2)CC1 1506349889 BPCNRDLKRKKGSF-TWGBQZSLSA-N 403.482 1.553 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1507546367 GBBLGJVXVLSEBC-MCIONIFRSA-N 415.502 1.079 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@H]1C 1507603255 OCHRKBMVWXUPOC-CQSZACIVSA-N 421.343 1.836 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1=O 1507699199 DEBJFXOTZXOOSB-HKUYNNGSSA-N 403.527 1.864 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1507848328 WQQQWTORHNCQSO-KRWDZBQOSA-N 401.515 1.434 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1508032813 ICSZCLCCKKYUAT-MRXNPFEDSA-N 410.482 1.727 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCS(C)(=O)=O 1508047249 DMQDOSRYRYEALZ-UHFFFAOYSA-N 412.537 1.406 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CCOC(=O)CNC(=O)C(C)(C)C 1521776327 NTFONSAYBSXZIA-UHFFFAOYSA-N 405.451 1.618 30 10 HDEE C#CCN(c1nnc(C2CCCCC2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1525907081 HGLKFHJVUHQISK-WMZOPIPTSA-N 406.552 1.989 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1529258379 HTEOECSSSMMDQF-WBAXXEDZSA-N 423.491 1.845 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)Cn3cnc(C(N)=O)n3)c2)c1 1532170671 JSDJRANBHBWUNB-UHFFFAOYSA-N 403.398 1.202 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2nn(C)c3ccccc23)c1 1535259146 ICRKKQXXIORIPG-UHFFFAOYSA-N 416.481 1.989 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O)C1CCN(C)CC1 1536121627 BVZVETSKLJLWNP-OPAMFIHVSA-N 402.539 1.679 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1539396962 VRUUOYHNOKJKQX-XLAORIBOSA-N 411.506 1.295 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1C 1539415964 IXSUMTGNVAYJSS-KRWDZBQOSA-N 409.450 1.053 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CS(=O)(=O)NC)cc1)C(=O)OC(C)(C)C 1539433007 MNUUJSVELZQKGJ-UHFFFAOYSA-N 409.508 1.222 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539520232 QIPVMEFYVUERLK-INIZCTEOSA-N 413.613 1.609 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539744106 ZRRXXNPJMGGDJH-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539918787 REBJQEGYRRPVQF-SJORKVTESA-N 413.526 1.933 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1cccc(C)c1 1540862501 CKHASSQFHIJRAJ-CQSZACIVSA-N 406.512 1.267 30 10 HDEE Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1542376909 CZGTVODDUJZRMY-CQSZACIVSA-N 420.477 1.577 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1542632766 RTQBIELHLXMXGX-IBGZPJMESA-N 413.424 1.530 30 10 HDEE C#CCN(C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)[C@H]1CCS(=O)(=O)C1 1543462073 JNLICZVXKXKQEG-AWEZNQCLSA-N 424.523 1.349 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1545088974 AKOVRAJUQMPAMN-KOFUXLBCSA-N 416.482 1.271 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1554370091 DKXBIPXZSQIRKL-INIZCTEOSA-N 423.521 1.681 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1555663319 KMMSSSQYQLZCFO-FYINFDKHSA-N 418.542 1.340 30 10 HDEE CO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555772770 AIUPSGIPABGWNX-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)CC1 1555991951 BHYNBLNXAPGHDI-GOSISDBHSA-N 416.526 1.584 30 10 HDEE C[C@]1(C(=O)NCC#C[C@@H]2CCCCO2)C[C@H](O)CN1C(=O)OCc1ccccc1 1558752552 IHMIOGXOWFTBCG-CNNODRBYSA-N 400.475 1.837 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1560205945 LDWUQXCVDBQVCB-CQSZACIVSA-N 415.918 1.962 30 10 HDEE Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2cc(Br)ccc2C#N)cn1 1561703354 BULSQZJTWLIKJT-GFCCVEGCSA-N 413.297 1.184 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1 1561796212 GSTCRIIRNYVSHJ-UHFFFAOYSA-N 408.524 1.296 30 10 HDEE COC[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(Br)c1 1561854867 HJEJKWOXBOPBSN-UONOGXRCSA-N 404.286 1.195 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1567043802 IIVIEACXPAMNIJ-KRWDZBQOSA-N 405.520 1.715 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)/C=C\c1ccc(F)cc1 1569842432 QWNZSVPUVNLTBH-WCIBSUBMSA-N 406.435 1.593 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OCC 1583520601 LVYVEDNYICPQKF-MRXNPFEDSA-N 406.483 1.274 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1587773650 QNQYJWOVCITDAU-UHFFFAOYSA-N 403.490 1.724 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1588049394 GEJLXWTVGKDIBX-OAHLLOKOSA-N 405.911 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1588113371 KLCITPCGMPKJPZ-QFIPXVFZSA-N 410.474 1.841 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@H]1OC 1589143135 ZAXJPPURRIRSSG-GSHUGGBRSA-N 424.505 1.969 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1594720395 KZAXYGJJPLSPAG-BBWFWOEESA-N 418.542 1.563 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1594829396 JFIZPLXALOYXFW-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1595477729 YFOODBYAGYBMJX-ORYQWCPZSA-N 419.526 1.311 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595544992 PGFXRVNIQBSABD-QZTJIDSGSA-N 418.542 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2ccccc2C1 1595785307 WOJCEDQONUYRJZ-UHFFFAOYSA-N 412.519 1.842 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](n3cncn3)C2)nnc1C(C)(C)C 1595831816 WUIKDUMNPJFVJD-OAHLLOKOSA-N 407.544 1.609 30 10 HDEE Cn1c(C#N)ccc1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1596659966 APMMSUGCGVUERX-OAHLLOKOSA-N 416.478 1.959 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](Oc3ccccn3)C2)n1Cc1ccc(C#N)o1 1608436603 AKQDMWRXXAZKBH-KRWDZBQOSA-N 421.461 1.982 30 10 HDEE Cc1ccc(F)c(Br)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611165666 RVHHXSJGWJERIF-BONVTDFDSA-N 401.257 1.907 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1613899588 AXCPXJOGVXEJJZ-UHFFFAOYSA-N 420.477 1.106 30 10 HDEE CCOCc1nnc(N2C[C@@H](CC)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1616741303 OEDOWWOQFNGXER-APWZRJJASA-N 414.510 1.875 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C#N)CO)ccc2C)cc1 1624090354 CBCHZKNMQQKBKV-INIZCTEOSA-N 403.460 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 1624132615 GQDLYSPKVALZMN-QGZVFWFLSA-N 408.495 1.675 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(S(C)(=O)=O)c2)cc1 1624147478 GUISTIONLRFODP-UHFFFAOYSA-N 408.501 1.484 30 10 HDEE C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1624771893 QEIIUGZSJWDBPC-BBRMVZONSA-N 414.466 1.941 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1628511407 YCFYFCPLIGIKOB-HNNXBMFYSA-N 401.467 1.301 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)c1ccccc1 1630914771 UTUFAUGYDWCSGZ-ZWKOTPCHSA-N 400.504 1.918 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c(=O)nc1O 1633299625 IDGXPMSIOAFDCX-UHFFFAOYSA-N 419.397 1.683 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1633559154 IGAYAMMJUBSDPB-LJQANCHMSA-N 418.515 1.419 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)cn1 1634637058 WTFOUYYZFLYVCX-UHFFFAOYSA-N 400.382 1.837 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1636967062 SYFXADYZEHXTPC-UHFFFAOYSA-N 416.499 1.542 30 10 HDEE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N[C@H]1CCN(O)C1=O 1637460894 ZLCPFIHTTAEHBW-HNNXBMFYSA-N 410.459 1.528 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1639123031 RYEORDKYMPZHTG-ZMZPIMSZSA-N 409.874 1.792 30 10 HDEE COC(=O)[C@H](C)Sc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640637079 SNMHVRHGEDEYIP-NSHDSACASA-N 414.443 1.171 30 10 HDEE CCc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 1641384245 BPVOBKQHKJAYPW-UHFFFAOYSA-N 421.504 1.129 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2nc(C3CCCCC3)cs2)CC1 1643372528 PKNSIUQVWAYKRN-UHFFFAOYSA-N 410.565 1.345 30 10 HDEE CC1CC(C#N)(C(=O)N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1644239838 OOMMLIWWLANGSR-SBTCKYBLSA-N 418.494 1.967 30 10 HDEE C=C(C)C[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OCC 1644563766 QMJIODIKHUGQMZ-ZDUSSCGKSA-N 402.444 1.038 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cn1 1645737533 GUBRWAALHHMJPQ-UHFFFAOYSA-N 402.451 1.979 30 10 HDEE CCOC(=O)c1nnn(C2CCN(CC(=O)NC3(C#N)CCC3)CC2)c1C(F)F 1647986399 IFGBWRQMTFMSMJ-UHFFFAOYSA-N 410.425 1.592 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1649539654 PSQNYRSOONBMMU-DYESRHJHSA-N 403.527 1.791 30 10 HDEE Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)O2 1653762781 DGEYWHMOXKGXNX-QFIPXVFZSA-N 424.457 1.619 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811610 KCPSNQZWXGIEKN-UHFFFAOYSA-N 421.450 1.432 30 10 HDEE C=C(C)CS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1655946726 CADKMZBJBUQNFS-RYUDHWBXSA-N 414.446 1.746 30 10 HDEE CCO[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@H]1CNC(=O)OC(C)(C)C 1659295977 RHTKIOZEDANPMY-IAGOWNOFSA-N 407.515 1.504 30 10 HDEE COCC1(N(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCC1 1660063241 VDRHEJYOWMXDDF-UHFFFAOYSA-N 413.478 1.956 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1663316610 UWDLQLSHHDQPLN-KURKYZTESA-N 412.508 1.269 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)C1CSC1 1670369985 HTLNJVSHECEBBT-UHFFFAOYSA-N 409.533 1.513 30 10 HDEE COC(=O)Cc1ccccc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352231 FPOJMIUQFTXEIL-HXUWFJFHSA-N 420.469 1.874 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2C(=O)NCC(=O)NCC#N)C1 1680958414 XANIDUDOMBVFMR-HOTGVXAUSA-N 407.515 1.837 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1683814992 RJHYSHTWOUIHPK-IRXDYDNUSA-N 409.556 1.879 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 1685264314 HGBWVJBFCZUHAY-SFHVURJKSA-N 402.470 1.156 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NC(C)C)CC1 1690120269 OFMNNZUNGXAMGL-UHFFFAOYSA-N 405.506 1.706 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690470776 LACKBQBBUOJCJS-INIZCTEOSA-N 413.482 1.233 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCOCC2)C1 1690697322 SRCRVDWXAYSBII-ZWKOTPCHSA-N 413.526 1.485 30 10 HDEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1697139484 HHMWCACTMFEMOC-STQMWFEESA-N 402.421 1.964 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1705474113 CMPWISNKKJTEMK-HJFSHJIFSA-N 400.508 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1705476860 GGFGQGAVIALAMD-LSDHHAIUSA-N 423.514 1.907 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1705523477 YUFPVLZIZMIFGZ-UHFFFAOYSA-N 410.478 1.483 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnc(C)s2)CC1 1705635357 WTOUTVMBMKBOTR-OAHLLOKOSA-N 404.540 1.571 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1705639994 AWVSXPPMRBFMRP-DENIHFKCSA-N 401.555 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)C2CC2)CC1 1705647406 DDJJPEBTXGCWOO-RTBURBONSA-N 415.538 1.563 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Cl)cn1 1705879903 OWDHHKWAPWLRPZ-UHFFFAOYSA-N 407.906 1.703 30 10 HDEE C=CCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705894103 YJNOOWYBCPDBKM-VQTJNVASSA-N 402.499 1.602 30 10 HDEE CC1(C)COCCN1CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1706957146 HOEDAAXIHYSPIH-QGZVFWFLSA-N 416.551 1.770 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1710789074 IJJGMEIYNKYXRT-JKSUJKDBSA-N 423.539 1.116 30 10 HDEE CNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1711403068 FSTKXOWWABRVLI-NRFANRHFSA-N 406.494 1.783 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722333542 XBVMZSTYMLYGJQ-VQTJNVASSA-N 422.533 1.544 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1722361115 KZSGPPHNZOZSJQ-MRXNPFEDSA-N 422.470 1.480 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722447219 JJGNUNHMMIMHDX-GOSISDBHSA-N 400.571 1.927 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722482938 DUVBXIVTDLMSKM-HBNTYKKESA-N 412.244 1.252 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722577344 DELWUBPVQSRYFH-ZWKOTPCHSA-N 400.527 1.890 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](OC)C1 1722694780 IETVFWUFRWOOCC-OAHLLOKOSA-N 401.467 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ncccc2F)CC1 1722727574 JJKDCZCBJTVSSQ-UHFFFAOYSA-N 408.503 1.302 30 10 HDEE C=CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722740641 YADOFKVAFCYFQQ-HNAYVOBHSA-N 410.540 1.849 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1726397088 GANPKVXMUAIVPY-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE Cn1cc(Nc2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)cn1 1729580531 YSFSRBOGJMZRIO-UHFFFAOYSA-N 400.468 1.233 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1740552962 PKOJZUNKOKUKOE-FJIDUMEYSA-N 423.583 1.895 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740628819 UUPKAQSCMQAVRL-BRWVUGGUSA-N 406.508 1.449 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N[C@@H](C)CC 1740658901 RFLIWOSOFGBNNQ-KRWDZBQOSA-N 409.538 1.907 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCN(C(C)=O)CC2)CC1 1740691806 NFQBCAQDAJNNGJ-UHFFFAOYSA-N 410.522 1.860 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C)C1CC1 1740910764 SEBRELULGGGYPB-BBWFWOEESA-N 409.556 1.983 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1743782642 HHMYDTTVPSLOFR-ZWOKBUDYSA-N 420.583 1.728 30 10 HDEE CN(C)C1(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1747567552 HKIHKXVFOUJHGE-HXUWFJFHSA-N 413.501 1.817 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)c1 1748933485 GYOOWFAPZVQVLG-QGZVFWFLSA-N 419.445 1.225 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC(C)(C)N2CCOCC2)n1 1748970797 SPDLAIHOTBTGRQ-UHFFFAOYSA-N 415.542 1.180 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1748978559 MQCGWMODGCSVIG-GHTZIAJQSA-N 401.511 1.378 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC(C)(C)O)CC1 1749016778 NYUWWUQUZXGBES-UHFFFAOYSA-N 410.522 1.391 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1749032344 DBPCRGUJTVVZGV-UHFFFAOYSA-N 420.564 1.097 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1749959097 GRJBEYBFXOFMQF-QFIPXVFZSA-N 424.505 1.727 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1751678586 ZMCGSFKQAGOWOL-HNNXBMFYSA-N 406.494 1.984 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@@]1(OCC)CCOC1 1760159304 BWXBBCDXQTUMCH-HXUWFJFHSA-N 405.499 1.622 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760162307 QKIHHUKQHHTSSC-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C1CC1 1760201995 PUYGKQBZIQLHFM-UHFFFAOYSA-N 415.457 1.193 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCSC2)CC1 1760254884 OEJYSIGOUGFPCD-NRFANRHFSA-N 413.547 1.577 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760313331 MDYIGXHIOMNPDS-JKSUJKDBSA-N 416.526 1.903 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1760348686 IFFCYGHFHLFJCF-UHFFFAOYSA-N 418.542 1.554 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1760529295 BVEYMKPTKVSAFJ-YJBOKZPZSA-N 424.505 1.509 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1760606146 CZJDRXNLJNNEQP-QGZVFWFLSA-N 423.521 1.206 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C(N)=O)CCCC1 1760917153 DOXQJFYXCLEZTC-UHFFFAOYSA-N 409.494 1.982 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCC(=O)NCc1ccccc1 1761194720 FLTPOBCMPHZDNF-INIZCTEOSA-N 411.510 1.861 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1761262234 IWFRVNZPFHXLKB-HXUWFJFHSA-N 404.515 1.583 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc(CC3CC3)n2CCOCCCO)CC1 1771533917 FJUODLLOSPSJIG-UHFFFAOYSA-N 410.522 1.828 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCOC2)CCO1 1771538705 GUUDXTVCIPRFTK-HNNXBMFYSA-N 414.491 1.345 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1772566841 MAEYFRHUAPWGCU-UHFFFAOYSA-N 412.542 1.294 30 10 HDEE C=CCN(C)S(=O)(=O)c1cccc(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772789732 KITLKEMNLFIHAI-UHFFFAOYSA-N 400.412 1.861 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)n1 1849877767 MZIDITXKLHJIHC-UHFFFAOYSA-N 418.457 1.766 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1851218365 DLJNJTTVMCUBCZ-IBGZPJMESA-N 419.485 1.672 30 10 HDEE CN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(F)c1C#N 1851227870 OFOWLEKJEHOZME-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)c1 1851537337 ISAOFYPPWDANOU-SFHVURJKSA-N 415.519 1.746 30 10 HDEE Cc1nn(C)c(NC(=O)[C@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)c1C#N 1851566465 RWVTXAUPNFUGOL-KRWDZBQOSA-N 407.540 1.608 30 10 HDEE C=CCN1C[C@@H](C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)CC1=O 1852651198 DVKYPFSXFYOUHL-ZDUSSCGKSA-N 423.926 1.368 30 10 HDEE CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1852828765 ZVKSNVPUBPPGRQ-LJQANCHMSA-N 408.506 1.602 30 10 HDEE CCC(=NOCC1OCCO1)NS(=O)(=O)c1cc(OC)ccc1Br 1853450314 SXLCLPPHXALLJE-UHFFFAOYSA-N 423.285 1.849 30 10 HDEE Cc1c(CN(C(=O)CC#N)C2CCN(c3nccn4c(C)nnc34)CC2)cnn1C 1853595040 SBAYAGLEECNCMV-UHFFFAOYSA-N 407.482 1.386 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853823727 XIAYBDZYLSEJRF-MSOLQXFVSA-N 414.506 1.464 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cc3ccc4c(c3)OCO4)C(=O)C2)cc1 1853868823 OFQQAOCLFIHQMF-UHFFFAOYSA-N 405.410 1.383 30 10 HDEE CN(c1ncc(Cl)cn1)C1CCN([C@H]2CCCCN(C(=O)CC#N)C2=O)CC1 1854799650 ZCCJOOSWTOOTQG-INIZCTEOSA-N 404.902 1.852 30 10 HDEE Cc1oncc1C(=O)N1CC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854864754 ZLIPXODNWBABEY-GOSISDBHSA-N 409.446 1.782 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1=O 1855435173 JZAYJTXOXDRSRY-CRAIPNDOSA-N 418.519 1.730 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1855603531 GTLKQSQEPGIPGG-CVEARBPZSA-N 402.520 1.697 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccccc2C(F)(F)F)CCN1S(=O)(=O)CC#N 1856062473 SBOYZNZMXPIBER-UHFFFAOYSA-N 403.382 1.622 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)c1 1856211497 CRUFCRZSIDFAKN-KRWDZBQOSA-N 405.476 1.798 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnc([C@@H]4CCOC4)o3)[C@H](C)C2=O)cc1C#N 1856252411 MOUBGRGNJFIJEP-GDBMZVCRSA-N 409.446 1.627 30 10 HDEE Cc1ccc(CC(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cc1 1856390546 DBKBVKNFEOLHST-GOSISDBHSA-N 404.470 1.943 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@H](C)CCC#N)CC2=O)cc1 1856407205 ACYXLJKEHGBGBV-OAHLLOKOSA-N 407.492 1.222 30 10 HDEE CN(C[C@H]1COCCO1)[C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856724069 XVSDYBUHQVHAMV-YJBOKZPZSA-N 405.882 1.884 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3nc(C4CC4)no3)CCC2=O)CC1=O 1856798646 OYVVBAJBKPKDAX-GOEBONIOSA-N 415.494 1.179 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN(CC)CC3)ccc21 1856900772 RIRNFBQFLAMMRE-UHFFFAOYSA-N 405.520 1.785 30 10 HDEE Cc1ccc(CC(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 1857073799 VJDQPHFVEDAAKX-FQEVSTJZSA-N 403.486 1.754 30 10 HDEE N#Cc1c(NC(=O)COc2cn(CCCO)c(C(=O)O)cc2=O)sc2c1CCC2 1857882552 BRUGRTBPUNLRJV-UHFFFAOYSA-N 417.443 1.368 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858336621 UXERINFRCQKLKD-HNNXBMFYSA-N 421.500 1.308 30 10 HDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608467 CWBIERVCNKDFJJ-AEFFLSMTSA-N 413.474 1.509 30 10 HDEE COCCOCC(=O)NC1=C(c2nc3ccccc3s2)C(=O)CN1CCOC 1873711626 ZTJJRJBDRDRJIG-UHFFFAOYSA-N 405.476 1.275 30 10 HDEE CCn1nc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cc1C 1889298934 NZPAROSHUFNDSB-UHFFFAOYSA-N 415.582 1.862 30 10 HDEE CN(C)[S@@](=O)(=NC(=O)C#CBr)N1CCN(C(=O)OC(C)(C)C)CC1 2006267942 KXAGNEQXEQYMKD-DEOSSOPVSA-N 423.333 1.281 30 10 HDEE C=CCN(CCC(=O)NCCn1cc(Br)nn1)C(=O)OC(C)(C)C 2017699778 HWLQDTRBFIZZCN-UHFFFAOYSA-N 402.293 1.970 30 10 HDEE C[C@H](C#N)OCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074664729 BYJGBFCLYYDPCE-UKRRQHHQSA-N 412.464 1.488 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)c1cncc(C#N)c1)NC(=O)OC(C)(C)C 2118166225 IDUITFMUGRSWOU-JPQMIFPKSA-N 402.498 1.653 30 10 HDEE CC1(C)CC[C@H](NS(=O)(=O)N2CC(C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 2174782032 LYCPKWOLNZPBST-CABCVRRESA-N 400.545 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174783980 JCFDZHSERCRTBD-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CC(C#N)C2)C[C@H]1C(F)(F)F 2174787210 ROHVJVMDESZLQS-VXGBXAGGSA-N 412.434 1.322 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(Cl)ccc3F)s[nH]2)OC1(C)C 2177568364 BLGGFIRCWUOVBX-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@H](C(=O)O)C1CC(F)(F)C1)C(F)(F)F 2180574126 GXURJRWMOWCYQX-CDUCUWFYSA-N 400.222 1.601 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2241486828 VAJQHCZQCFOERO-UHFFFAOYSA-N 414.271 1.365 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243430906 YZVFTOCLQGBOQT-CABCVRRESA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243702229 MGGHCGLXSAHUAX-GJZGRUSLSA-N 408.304 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247833512 HNKFQMOXTIJJEN-AWEZNQCLSA-N 418.303 1.515 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248589997 XTAYATAJGQHOAJ-INIZCTEOSA-N 415.251 1.979 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NCCc2nccn2Cc2ccccc2)OC1(C)C 2255834522 OGMMUICUOQOPDK-UHFFFAOYSA-N 421.310 1.926 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)C1 2264025719 XTHYBEFMYQFHHH-MSOLQXFVSA-N 406.508 1.858 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2267375397 GWHYXWHFJLXTPQ-AWEZNQCLSA-N 409.313 1.369 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269028271 HSEFSEIFGTUIDD-JTQLQIEISA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)C[C@H]3CO)c2Cl)OC1(C)C 2281936270 LCAHAKPZZVFOEM-WDEREUQCSA-N 401.721 1.659 30 10 HDEE CC1(C)CC[C@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339540 YLRNQEOZTGBMCB-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282341543 UECRPXVHFOXIHX-LLVKDONJSA-N 401.315 1.231 30 10 HDEE CS[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CC1 2282414846 YLTSJZFTZAKJIZ-GFCCVEGCSA-N 401.363 1.139 30 10 HDEE CCN([C@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282417070 FELWTHSVGXFKDO-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CN(C1CCSCC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282495659 PKCUFKWXXPSBST-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE COC(=O)C1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282620777 JTPBBRQCQHLRRL-UHFFFAOYSA-N 401.677 1.061 30 10 HDEE CNCCCCN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282836538 LLLZLMYARXZWJE-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE COC[C@](C)(CO)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859346 LENDDJIKBOTRIE-INIZCTEOSA-N 405.347 1.065 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCOC(=N)O)c1B1OC(C)(C)C(C)(C)O1 2282872339 VEAMYDSXXUNBMC-UHFFFAOYSA-N 404.319 1.452 30 10 HDEE C=CCN1C(=O)NC(=O)C(=CNc2ccc(C(=O)OCCN(CC)CC)cc2)C1=O 2296740725 ONHXKMIDOKASSC-UHFFFAOYSA-N 414.462 1.745 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2O)CC1=O 2329013089 VJYBVGMAPISHMO-CYBMUJFWSA-N 402.480 1.168 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2362565727 BPXMRBCPDPPDKU-QDXKXIGTSA-N 400.375 1.965 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C1CCOCC1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2365191755 QWPTYWLNWJKKBI-HOTGVXAUSA-N 403.541 1.741 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2C1 2365205564 BRDVSTSISYERLX-GJRWTSMGSA-N 400.541 1.148 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367786379 HOVRQSFOWJQMFS-SCLBCKFNSA-N 401.481 1.436 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1ccc(N2CCC[C@H](C)C2)c([N+](=O)[O-])c1 5623718 ZJTSNCFEYGTZFL-ZDUSSCGKSA-N 404.423 2.000 30 10 HDEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)c1 21326228 XVIGZGGYEOOFAL-CIAFOILYSA-N 415.479 1.838 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(F)cc2)CC1 29153290 GFQJRMWFJFEDHD-UHFFFAOYSA-N 414.485 1.178 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 54016717 XVEWRQOLZPSNIY-INIZCTEOSA-N 414.491 1.067 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N3CCCC[C@H]3C)n[nH]2)cn1 59887486 YIAYCBVHJUUNCN-AGZSBTIMSA-N 406.516 1.587 30 10 HDEE Cc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444408 GQNICAINSPNZDF-HOTGVXAUSA-N 421.457 1.645 30 10 HDEE O=S(=O)(N=C1NCN(Cc2ccc3c(c2)OCCCO3)CN1)c1ccccc1 72460031 ASOCDAUQPDZVER-UHFFFAOYSA-N 402.476 1.503 30 10 HDEE CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@H]1CC(=O)OCCOC 100172337 IEPSNZYNVGLCIM-CQSZACIVSA-N 401.529 1.128 30 10 HDEE N#CCC1(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 431155503 HABLZJCZAFRSFM-CQSZACIVSA-N 406.464 1.806 30 10 HDEE CC1(c2cc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)no2)CCCC1 434778522 ROGPFLCLMZSCOH-UHFFFAOYSA-N 408.462 2.060 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cccnc1 461301412 PCRVKNUFKMBTDU-VQIMIIECSA-N 401.430 2.001 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)CC1 463352409 TWWHWQKGOPGHLO-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE C[C@H]1[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 466846378 PEOLVJPCDGOUGS-PXNSSMCTSA-N 418.501 1.974 30 10 HDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC#Cc1ccc(C(F)(F)F)cc1)C2 467303771 FPIQWDLJWZCHSW-UHFFFAOYSA-N 407.396 1.019 30 10 HDEE CO[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[C@H]1C 469884944 QVPWOYLADLQTQG-DNVCBOLYSA-N 405.520 1.842 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)CC2)cc1 473846281 YTFQJLZHXBQGEO-UHFFFAOYSA-N 418.501 1.565 30 10 HDEE CCn1nccc1CN(CCO)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 477408127 UUFXCQRMFAPHOP-UHFFFAOYSA-N 404.492 1.615 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(C(=O)NC3CCCCC3)CC2)cc1 478424699 DYEBJUKJXOSGAI-UHFFFAOYSA-N 404.536 1.992 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 486345015 PGUXAURHNDZMLN-CXAGYDPISA-N 422.532 1.505 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 508998132 CKOZURSLIOBDGT-OAHLLOKOSA-N 407.544 1.496 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)CC1 516325610 OIPPKWCRDWRTEW-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1 520181563 RNSBXGZEPAJZPD-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCOC1 533085988 MTHCBIWJRRGENG-HNNXBMFYSA-N 412.486 1.958 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 549394842 WUJPOLRESZYPEZ-XJKSGUPXSA-N 423.416 1.782 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 558483153 BLSXONPCWCJFBE-UHFFFAOYSA-N 413.931 1.354 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 564031979 PYZAADOTKSZZSW-INIZCTEOSA-N 415.471 1.525 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 574863333 DMOPJAVIWONHPW-UHFFFAOYSA-N 417.281 1.399 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)C1(S(C)(=O)=O)CC1 581148419 CYOOBIMYJZUJHY-SECBINFHSA-N 407.311 1.565 30 10 HDEE Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 585378774 UMHCORYVHOFCLZ-UHFFFAOYSA-N 415.397 1.498 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(Oc3ncccc3F)CC2)c(F)c1 586860123 TVUOKSNHYRVIKK-UHFFFAOYSA-N 400.385 1.918 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2C(F)(F)F)CC1 603499783 JFRMDZDKOSUCKZ-UHFFFAOYSA-N 405.442 1.455 30 10 HDEE CN(C)S(=O)(=O)N1CCN(c2c(C#N)cnc3c(Br)cccc23)CC1 619651044 AXGPEGNXFKUSEG-UHFFFAOYSA-N 424.324 1.797 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 669818484 UPXSNAXUSSDNFW-HOCLYGCPSA-N 407.496 1.384 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ncc3c(n2)-c2ccccc2SC3)C1=O 685126407 SHONIVSZNSDPSK-UHFFFAOYSA-N 423.454 1.689 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727814094 JHSJIDYUOZXUTJ-UHFFFAOYSA-N 420.494 1.266 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732156170 KTQVCMRPTIMFIZ-HTXNQAPBSA-N 414.462 1.968 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cc(N2CCCC2=O)ccc1F 732425351 CSSFDKKIXOVQIJ-ZCXUNETKSA-N 401.398 1.600 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H](CN2CCCCCC2)C1 732464970 AVZYDYXRTBJDBL-NRTINQSCSA-N 403.527 1.810 30 10 HDEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)no1 732678424 BRDGDFIECXIQAX-MRXNPFEDSA-N 415.475 1.596 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)cc1 732707298 XGGOADTUZMDXOF-GOSISDBHSA-N 416.441 1.883 30 10 HDEE CN(CCOC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(F)(F)F 735903502 MAPOLTZAUUJUJG-CQSZACIVSA-N 412.368 1.801 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 748064049 ILGLWBCGOWZNRK-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750421228 JDELMGSWPBKVMG-UHFFFAOYSA-N 406.240 1.782 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NCc2ccc(OC)c(C#N)c2)cn1 753181148 XRTWBZDAVBEUHW-YMGMXPECSA-N 401.492 1.798 30 10 HDEE C=CC[C@H](CO)NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 757958516 MHMLMSDEQDAKPY-GFCCVEGCSA-N 419.956 1.584 30 10 HDEE N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 759717333 HONOVZNLOCEKJP-RBSFLKMASA-N 405.476 1.312 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1Cc1ccccc1 760378168 LAIARBASQVQJQI-UHFFFAOYSA-N 424.913 1.564 30 10 HDEE C#CCN(C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 760428257 BNICZCBPDUURAE-OAHLLOKOSA-N 402.394 1.926 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 764399223 DYVRXVJKVRNAES-HNAMICAMSA-N 421.860 1.883 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)cc1 767162539 HKXUBFQBADKMEZ-ZDUSSCGKSA-N 413.496 1.726 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1C 770242488 RKEIMFOUJSISOT-ZDUSSCGKSA-N 406.323 1.569 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)ccc1OC)[C@@H]1CCS(=O)(=O)C1 774188965 WISFXVZRHMXNCY-CQSZACIVSA-N 415.309 1.790 30 10 HDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 780203608 CUCDDEFCURPLEJ-KZULUSFZSA-N 402.428 1.778 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780204345 HAELRHHAUQGPHN-HXUWFJFHSA-N 411.414 1.241 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780863774 VZXOULOGWYXFKV-QGZVFWFLSA-N 418.475 1.120 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780951528 YWQVPDABAIHICP-SFHVURJKSA-N 403.460 1.879 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 782600964 HSWOQIFNQFDHLG-GASCZTMLSA-N 401.529 1.771 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(F)cc1 812875226 OZJKQTGZPGXRFZ-LJQANCHMSA-N 419.478 1.924 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cnc21 916928903 YBQQRGZEZAQJJK-JTQLQIEISA-N 419.228 1.784 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 918729417 JGVZNBPTLHLQNT-HNNXBMFYSA-N 414.531 1.331 30 10 HDEE CCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cc(O)ccc1C 1115979014 LDXXCBXADLGYDS-UHFFFAOYSA-O 408.525 1.992 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2N2CCN(C)CC2)n1 1116840859 RZIAQLRRYCCDID-UHFFFAOYSA-N 424.549 1.626 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1 1124190012 READZDIJOQUONO-GASCZTMLSA-N 419.507 1.904 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)nn1C 1130178331 GRACCGLBZLLISJ-STQMWFEESA-N 417.491 1.650 30 10 HDEE CN(CC(=O)Nc1nc2n(c1C#N)CCOC2)S(=O)(=O)c1ccc(Cl)cc1 1134817972 MVXAJMUGMAMNTP-UHFFFAOYSA-N 409.855 1.198 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1136022905 BIPDJKQPSJXXDQ-UHFFFAOYSA-N 401.898 1.652 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(C#N)cc1F 1143114248 CNNNNIZRAQKAEX-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1150938893 KSTIEIZJIUKJJB-INIZCTEOSA-N 424.295 1.793 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2csc(I)n2)cc1 1155846833 GJKBAQCJQDXWGN-UHFFFAOYSA-N 403.201 1.797 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3c(Br)nc4n3CCOC4)C2)nc1 1160059217 IRPKPTSGNJCSAX-GFCCVEGCSA-N 418.251 1.736 30 10 HDEE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1163652221 MPKLXDWRFRFWBG-INIZCTEOSA-N 402.476 1.766 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)c1 1165614321 HROXLPOZLBRACT-OAQYLSRUSA-N 408.389 1.922 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(C3CCOCC3)CC2)c1 1192405977 RWMMWNSQDBULQF-UHFFFAOYSA-N 421.563 1.772 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CC1 1195041901 FJKULDNTPGPWRD-UHFFFAOYSA-N 411.593 1.829 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC3(CC2)CNC(=O)O3)ccc1Br 1197302700 CTWKQPIOLZSIOL-UHFFFAOYSA-N 400.254 1.584 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(c3n[nH]c4c3COCC4)C2)c1 1214058625 ARVKWBJKDGLAIJ-UHFFFAOYSA-N 402.476 1.186 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1225939202 WSQBKJDQOKHAQP-OLZOCXBDSA-N 400.501 1.012 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@H](S(=O)(=O)NCC)C1)c1ccc(Br)cc1 1230499549 YSWHLTQOEHKWEF-GJZGRUSLSA-N 414.325 1.847 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nnn(-c3cnn(C)c3)c2C)cc1 1264609427 REUFICSQTOIVBF-UHFFFAOYSA-N 415.479 1.368 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286277822 HVMUZTASUNJNFP-YPMHNXCESA-N 410.569 1.662 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1286471128 HAHBYDLXGHCGQQ-BBTUJRGHSA-N 405.543 1.308 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)cc2)CC1 1286472897 WTVGSPHHBDEQLK-KRWDZBQOSA-N 401.486 1.945 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1286537465 CTBMOFVHTHBGHS-RYUDHWBXSA-N 411.304 1.100 30 10 HDEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286591513 ZCYYISMVZZBTSJ-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1286745723 GRWPQLUVXSXETL-KRWDZBQOSA-N 417.535 1.461 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@H](C)C1 1286786421 RPKLKFFDXLARKK-GDBMZVCRSA-N 410.478 1.319 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286819014 WQXVRVUEISXFNW-WBVHZDCISA-N 405.524 1.945 30 10 HDEE COc1cccc(C[C@@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)n2nnnc2C)c1 1289361397 HGCKNBBVVSBFGY-IBGZPJMESA-N 411.462 1.638 30 10 HDEE Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289438190 ZVCHYOMTAQGGOG-HRAATJIYSA-N 411.483 1.465 30 10 HDEE Cc1cccc(-c2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1289942466 UMWSEEUMOPVPKF-CZIZESTLSA-N 405.462 1.941 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@](C)(O)CCOC 1292032666 FTUJQRWPUSSXNO-FQEVSTJZSA-N 406.531 1.724 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 1293070592 BCHRCOQQLPHUIK-HNNXBMFYSA-N 407.471 1.576 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1 1293690287 GPKGAYILDQAWNJ-TZMCWYRMSA-N 420.578 1.227 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1297308725 DZGMTYUAOLWUJC-HNNXBMFYSA-N 406.487 1.410 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 1297516830 LJRDTXCZVUNTDU-UHFFFAOYSA-N 406.486 1.414 30 10 HDEE CN(C)c1cccnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1298060813 DSRBHWATMAJIOB-KRWDZBQOSA-N 416.489 1.638 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300394713 VLWSKWWDQQHWRP-UHFFFAOYSA-N 419.489 1.954 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1300459882 XMVCVERKRBCNLZ-NVXWUHKLSA-N 406.483 1.776 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@]1(C)CN(C)C1=O 1300648283 MSIMOXSGTXBXHN-QFIPXVFZSA-N 419.464 1.992 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1300693446 YESADWQJADZBBT-UHFFFAOYSA-N 405.506 1.344 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(CC)CC)N(C)C)CC1 1300696155 UMQSIXANDJPXAM-HXUWFJFHSA-N 412.586 1.800 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)CC1 1300698336 QXMNFXCRKQVPFS-KRWDZBQOSA-N 424.505 1.050 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)CC1 1300881335 NSNVNLARRUPWOH-PKOBYXMFSA-N 415.542 1.428 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1301048566 NSMPRHOQSNRCTP-MRXNPFEDSA-N 421.498 1.815 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)CC1 1301125425 OCZVGVARKFPOLB-MRXNPFEDSA-N 404.540 1.673 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1301405565 SXCKOYPRCOFPPJ-INIZCTEOSA-N 407.496 1.431 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCc1ccccn1 1301475468 RXCIYLMCXOLQML-UHFFFAOYSA-N 411.510 1.280 30 10 HDEE COCCN(C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1301723800 ZOWHXQWTUSBJDG-QGZVFWFLSA-N 404.540 1.627 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCS(C)(=O)=O)CCOC1 1301955890 BGCFFZNTULUSKH-YJBOKZPZSA-N 413.544 1.349 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1COCCO1 1302271087 KONVSBRDLOAXFJ-BZSNNMDCSA-N 405.499 1.548 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC(C)(C)C2)n1 1304734349 DANDJBVVCYJTPE-QGZVFWFLSA-N 414.558 1.989 30 10 HDEE Cn1c(=O)n(CC(=O)Cc2ccc(C#N)cc2)c(=O)c2ccc(C(F)(F)F)nc21 1307290690 NNLFYRGBTMGQIO-UHFFFAOYSA-N 402.332 1.797 30 10 HDEE CS(=O)(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)Cc2ccccc21 1307655271 WTEGSJITSVOTES-UHFFFAOYSA-N 423.494 1.568 30 10 HDEE CCn1c(CN(CC#N)CCC(=O)OC)nc2cc(S(=O)(=O)N(C)C)ccc21 1308011225 BFPOLQNKHODSJC-UHFFFAOYSA-N 407.496 1.195 30 10 HDEE N#C[C@]12CN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1308128623 TVJUTOVDIGIOCT-SGIREYDYSA-N 405.303 1.603 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 1310132050 YPEPARJGYHSGFP-RBUKOAKNSA-N 422.551 1.556 30 10 HDEE C=CCc1cc(CNC(=O)N2CCc3c(nnn3CCOC)C2)cc(OC)c1OC 1311749041 XSVWUDDFMZVNQF-UHFFFAOYSA-N 415.494 1.938 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1315067869 RKGTXKXOLRVEAW-HZPDHXFCSA-N 400.508 1.601 30 10 HDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cn1 1315486720 AZOGHAJOJWPWIU-OLZOCXBDSA-N 407.500 1.079 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1316061259 JNAUSYIGGHDNJA-HXUWFJFHSA-N 401.467 1.617 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1357975389 NHMLPXAHBDZWBW-SJCJKPOMSA-N 418.437 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358889434 BSEXOKLYZPJBIM-JYJNAYRXSA-N 415.460 1.893 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1358919188 VLEGZAOIAGROST-UHFFFAOYSA-N 421.505 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358945479 IMEBSULBXCOABT-RDJZCZTQSA-N 402.524 1.547 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)N1CCOCC1 1358947250 WYASEMHZWZPPHF-UHFFFAOYSA-N 420.473 1.918 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1358977385 LEUUOQJSEFXRDO-HKUYNNGSSA-N 420.492 1.968 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@H]2C1 1359126544 SINAAYAAYIGAJU-SFHVURJKSA-N 402.543 1.781 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359272220 NNYZTEKPAQXDEM-OSCRUYLVSA-N 412.494 1.877 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC(C)C)N(C)C)C1 1359319715 DUWBYDXXXQUOSA-RCCFBDPRSA-N 404.559 1.987 30 10 HDEE C=CCN(C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1)[C@@H]1CCS(=O)(=O)C1 1359875961 RKFWLYFVLXVLMM-OAHLLOKOSA-N 405.436 1.050 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C)C1=O 1359930803 RTSAMWXLCGISFH-NRFANRHFSA-N 415.542 1.645 30 10 HDEE CCn1c(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)nc2cc(C#N)ccc21 1435767953 SFMZMOMVYNRJBA-MOPGFXCFSA-N 404.430 1.860 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CC[C@@](O)(CC#N)C2)C1 1452256023 ZVVSZXPXANWFRW-WMQCIHAUSA-N 401.463 1.680 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 1459459981 AGXXWVIESJQEEY-OAHLLOKOSA-N 418.291 1.863 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 1465093335 OYENMKVSQJVERR-NWDGAFQWSA-N 408.567 1.035 30 10 HDEE CN(Cc1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1)Cc1cscn1 1465196789 DIBRVVPGLFMBHQ-UHFFFAOYSA-N 410.459 1.548 30 10 HDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1470133519 YGQCVUZKLWDFQU-QGZVFWFLSA-N 417.443 1.007 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ccc(Cl)c(C#N)c1 1470186192 YNSQIKDVIQGLFR-IBGZPJMESA-N 409.870 1.940 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1OC(F)F 1472150922 RGYBELDSLHPXQP-UHFFFAOYSA-N 424.400 1.891 30 10 HDEE Cc1ccc(C(=O)N2C[C@H]3C[C@@H](N(C)C)CC[C@H]3C2)cc1S(=O)(=O)NCC#N 1472350305 USROWYWEMHCKTB-KSZLIROESA-N 404.536 1.599 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1500053732 FHGFXHAJBSLGDQ-DXNFXHBHSA-N 402.499 1.933 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)C1 1505314394 CFGXFQFOUNGQTM-RDTXWAMCSA-N 407.446 1.810 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CCO1 1505322011 HAJXYXYMCGGQCX-DZGCQCFKSA-N 404.858 1.638 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1505322478 OQQKDHOLKKNPNK-TZMCWYRMSA-N 422.898 1.157 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507619276 ZVLLAJWEEQUQEW-KRWDZBQOSA-N 410.478 1.532 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1507697535 ALPSJYYYIWFURJ-UHFFFAOYSA-N 413.478 1.184 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCO2)CC1 1507739713 UQOHMRZZVKYVDB-ROUUACIJSA-N 401.511 1.317 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507843129 IHQLNGHPSPWMDK-DLBZAZTESA-N 412.494 1.875 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1507846739 VZQKCOCTFVAVIF-UHFFFAOYSA-N 414.510 1.152 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1507854435 OQVZCPAEFLQKQE-GFCCVEGCSA-N 413.935 1.543 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NCC(F)F)CC1 1507881683 SXQNLQBKPJEWPZ-IBGZPJMESA-N 413.469 1.856 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)CC1 1507884528 JSZWJDOXECFWAX-HNNXBMFYSA-N 419.507 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC=C)Cc1ccccc1F 1508085346 GKRGTJNRGNEBSR-KRWDZBQOSA-N 412.469 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(F)cc1 1508085988 JJICULVZDRCCFK-MRXNPFEDSA-N 400.458 1.697 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098829 RXXAXCKUQWINAD-KKSFZXQISA-N 421.542 1.625 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(N)=O)nc2)C1 1508117401 MREYVUWFNOWZOX-QGZVFWFLSA-N 405.462 1.664 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1509967735 BZPLUBOFMLWRKD-IIDMSEBBSA-N 412.494 1.854 30 10 HDEE CO[C@@H](Cc1ccccc1)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1517785680 DLTPAEOBLCLESR-ROUUACIJSA-N 405.462 1.722 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1519095227 MPSNBBLIBQDQSS-KRWDZBQOSA-N 404.511 1.952 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)CC1 1521121892 QNGRNRIHIVJUJI-GOSISDBHSA-N 416.526 1.726 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1521263414 LEFMZIPRHSZCSJ-MRXNPFEDSA-N 403.464 1.687 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCn2cnnn2)cc1 1534462353 ZNXVLSQZRSRCTR-CAPFRKAQSA-N 405.484 1.295 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1539216014 MRDJWUYZLZQQGI-HNNXBMFYSA-N 419.482 1.395 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539222144 UADVULZZYAJVSF-QGZVFWFLSA-N 406.552 1.868 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2scnc2C)CC1 1539447534 ULOFILQMIFNELL-QGZVFWFLSA-N 400.552 1.935 30 10 HDEE COc1nc(N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)ncc1Br 1539949889 GAMUQIATUGYYGT-INIZCTEOSA-N 410.272 1.217 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)C1 1540892998 VESIDCFIYDYGAP-RDJZCZTQSA-N 420.539 1.052 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1544488725 LSGDZYZHXBBLNX-NEPJUHHUSA-N 405.296 1.869 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1544511764 FTSZHMKOQIJOLG-UHFFFAOYSA-N 405.502 1.968 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc(C)s1 1545877509 DXSDHBSIBRMCKD-KRWDZBQOSA-N 406.491 1.847 30 10 HDEE CCN(CC)CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1547495159 FWLOJHINGOIWDY-GHTZIAJQSA-N 420.558 1.779 30 10 HDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1547733482 CCXKHLWSFDWSNR-QGZVFWFLSA-N 404.563 1.182 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CSCCS2)CC1=O 1554361186 GCAMNWZCBZXQMD-INIZCTEOSA-N 414.560 1.944 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1557387353 FMBRWLIJJJVVPH-ZDUSSCGKSA-N 406.382 1.473 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3cccs3)CCO2)cc1 1558603947 DDUVUCXSDAVZSG-MRXNPFEDSA-N 405.501 1.888 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCNC(=O)CC23CCC3)CC1 1560124729 DDYRCUIOVWPKJU-IBGZPJMESA-N 413.497 1.279 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 1561577256 BEUPMQUWPBKWBA-VWLOTQADSA-N 402.469 1.162 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)cc1 1563567869 DGBMANNQDSVEAV-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE C#C[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CCOCC1 1565106136 PKDVLCIPOSCGHK-IBGZPJMESA-N 406.490 1.986 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)CC1 1565253448 MWVAWZPCGYUSGB-ZDUSSCGKSA-N 423.457 1.385 30 10 HDEE COC(OC)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1568074181 GIAHIJHUAVSNAU-KBXCAEBGSA-N 417.487 1.701 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(=O)OC 1568155048 XPNWNDRMHRPEIY-HNNXBMFYSA-N 403.460 1.798 30 10 HDEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1569718635 XWPNCYVAPGERRO-CQSZACIVSA-N 423.288 1.974 30 10 HDEE N#Cc1cn(CCC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)c(=O)nc1O 1584423123 JGGKJPHFROYILH-UHFFFAOYSA-N 421.335 1.254 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)N(CCC)C(=O)OC(C)(C)C)CC1 1584999876 CMXFGCCDIYAPKA-QGZVFWFLSA-N 408.543 1.306 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1587909583 NYPHIYYYZWHDII-AWEZNQCLSA-N 409.487 1.518 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(NC(N)=O)cc1 1588011856 MRZRABVHNANZAY-UHFFFAOYSA-N 423.502 1.878 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1588292778 BMMSUSHPVRTUST-QGZVFWFLSA-N 421.509 1.101 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1589599940 PNLWLEUMUSSLLP-HZPDHXFCSA-N 421.571 1.750 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)C[C@@H]1CCCO1 1595561865 FANDVIFKDNPXEV-SFHVURJKSA-N 423.521 1.824 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)s1 1603038695 CDSYACAYOUWNLW-UHFFFAOYSA-N 410.546 1.554 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)cn1 1611189420 PQQBGYKPKRMBEF-CRAIPNDOSA-N 417.347 1.888 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612929347 YYPWCPUWYWRVMZ-VDMFXUGISA-N 413.507 1.741 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CC1 1617844690 GLQORPLTIKVGKB-GOSISDBHSA-N 408.458 1.753 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C1CCOCC1 1618321231 CLEBIKCHJYRHPQ-MRXNPFEDSA-N 408.520 1.930 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCCOC1 1619657382 WLBAJUXTNJUKRD-INIZCTEOSA-N 413.478 1.956 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCS2)c1 1620349136 GJSYKXRCSCYIGD-MRXNPFEDSA-N 403.533 1.947 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1620429540 WLZLHKPVAVXRFL-SAKMYQHLSA-N 421.519 1.074 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCO1 1620462586 GJUBTMRZKWGXDO-FQEVSTJZSA-N 424.519 1.391 30 10 HDEE CN1CCC[C@@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1626004601 TUHIXBXLOSSNKT-JUJXNAJKSA-N 408.524 1.285 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1626755376 XRZMXJFKTXYLOA-MRXNPFEDSA-N 417.572 1.377 30 10 HDEE COC[C@@]1(C(=O)N2CCC(C#N)(C(=O)OC)CC2)CCN(C(=O)OC(C)(C)C)C1 1627417084 GUFLNXARNCFKCC-HXUWFJFHSA-N 409.483 1.565 30 10 HDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1628078601 GUAAYUNBNDEQCJ-QWHCGFSZSA-N 411.421 1.972 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnnn2C2CC2)C1 1629096384 ZYBYDYVVDPRDLS-UHFFFAOYSA-N 402.256 1.395 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)Nc1ccn(CCC#N)n1 1629645045 RXXWMJMTENJKGG-UVLXDEKHSA-N 409.368 1.721 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 1630607488 KSBDDZQZRBCUMR-VFNWGFHPSA-N 411.462 1.504 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1631730125 KTIFBKNQSVKIBJ-BBRMVZONSA-N 409.508 1.804 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@@H](C)O2)C1 1633522556 LGIISNPYUQKJGB-WIYYLYMNSA-N 421.563 1.662 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1635643140 NXDPACNGAQNDMD-CHWSQXEVSA-N 413.906 1.891 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)c1 1641569881 LWSFJVWQZDGDDN-YHWKNFMLSA-N 420.409 1.172 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3nccnc3C#N)C[C@H]2C)c1 1642277598 YWCJTQRVODUXCL-OAHLLOKOSA-N 403.446 1.188 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1643124781 XNWPKTGUXGNZMV-GDLZYMKVSA-N 416.499 1.062 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1644428830 MBAIRAOECPAVOI-KBUPBQIOSA-N 412.408 1.349 30 10 HDEE COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1645299396 SNTGMFKHUONURN-LJQANCHMSA-N 410.430 1.374 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)CCCC(=O)Nc1ccccc1C#N 1650698503 MCHAUDKIMZWBRV-INIZCTEOSA-N 403.435 1.478 30 10 HDEE COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 1651258454 TYVRDRWTMDOYOU-INIZCTEOSA-N 407.492 1.322 30 10 HDEE C#CC1(O)CN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)C1 1653284604 TYURJBMTAFUDSS-GASCZTMLSA-N 412.515 1.542 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1C(=O)OC 1655079664 KNOMCRPMWZZBHK-XYPHTWIQSA-N 405.426 1.355 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 1655372341 MRVVQEWTBABVPO-UHFFFAOYSA-N 408.863 1.695 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 1655391676 LAHSGCZKFOWAID-SJORKVTESA-N 403.522 1.512 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655692971 XLMRTTUBCJAITG-UYAOXDASSA-N 415.513 1.429 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2Br)C1 1657270594 JWFIDYSPTPHUDE-UHFFFAOYSA-N 408.657 1.258 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)C1 1658067353 CWZKDDBOCQSZCC-UHFFFAOYSA-N 406.508 1.139 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1660584645 CMPFMEDWFOFHHS-OAHLLOKOSA-N 403.439 1.016 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(C(F)(F)F)cc2C)CC1 1662418462 MAVBNNRLTIVCRZ-UHFFFAOYSA-N 405.402 1.026 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 1677947144 MLMJEQXDCFHXBX-UHFFFAOYSA-N 402.539 1.930 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1683130525 LMSFQOSBLUJVQC-QGZVFWFLSA-N 413.478 1.611 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccsc2C#N)CC1 1684567475 LSPRVWVNKHHEFD-CYBMUJFWSA-N 414.491 1.970 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCc2nc(C#N)cs2)cc1 1685957572 WJJJHZRAXBFGIX-UHFFFAOYSA-N 407.521 1.948 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CN(C(=O)OCC)C[C@@H]1CO)c1ccc(Br)cc1 1686921825 TXLMJZNIVDIDOV-VNQPRFMTSA-N 424.295 1.872 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1689946609 UEFLIERGRFJFEU-CYBMUJFWSA-N 408.503 1.211 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1689991889 DNAHXEXQPNJCSN-MRXNPFEDSA-N 423.489 1.936 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1690119689 OFUADOFAXZFQDZ-NDEPHWFRSA-N 401.511 1.751 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1690170526 MDWQCQKUNIEWLF-KRWDZBQOSA-N 413.551 1.709 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690309650 GHYZMEJMLCBBDL-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697654711 GTUDTZKKRQUZNY-TZMCWYRMSA-N 408.484 1.016 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCO2 1698171219 PEIDNWXPKJPGAC-HOCLYGCPSA-N 415.450 1.508 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C[C@H]1OC 1698289329 GCULJVVEUBKDBB-KRQILSMLSA-N 415.519 1.578 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1705477411 NRXBFWFONZYHBO-UONOGXRCSA-N 423.514 1.737 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CC1 1705583118 QNROLEJCWFUUCI-GOSISDBHSA-N 408.527 1.985 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)c1 1705585607 VWFCHKRAFPUQOH-UHFFFAOYSA-N 421.530 1.709 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC(C)C 1705600018 IUPDJUGOJPSCSB-UHFFFAOYSA-N 417.517 1.894 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccco1 1705620942 LQXBJGRDIJIUHZ-FQEVSTJZSA-N 401.467 1.101 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCO2 1705620996 NBIRSFGMTWRSEK-UHFFFAOYSA-N 413.478 1.322 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCSC2)CC1 1705635150 SBZKELRSNDURJS-GHTZIAJQSA-N 419.595 1.829 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)cc(OC)c2)CC1 1705637973 SVVJFXMYTSIVKP-UHFFFAOYSA-N 407.453 1.686 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCc2cnn(C)n2)CC1 1705644417 QBKWYNUVTYVXBL-UHFFFAOYSA-N 412.542 1.303 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N(C)C 1705673475 ADSRJJWMYAAMQG-LJQANCHMSA-N 405.499 1.968 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC)C1CC1 1705854215 IYADCELWDPXWTI-GJZGRUSLSA-N 409.556 1.640 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1706076203 ZFNKXMKNSBXIOP-AGIUHOORSA-N 403.455 1.200 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1706956073 QLBSJQLSOUTAIL-JXFKEZNVSA-N 406.506 1.725 30 10 HDEE Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1707688168 CVRUHPPQHKPYHI-HNNXBMFYSA-N 423.502 1.750 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1711943582 HRNPSSCZWOYUTF-AUUYWEPGSA-N 419.507 1.099 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1712176176 VBHAAASEMLWUAO-CPUCHLNUSA-N 403.414 1.504 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)C1 1712877658 RERVGQCVQFYXFO-UZLBHIALSA-N 420.489 1.428 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1722323142 RGKKZRXJMMACGA-UWJYYQICSA-N 416.526 1.290 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722336901 RURGZOUHFOMHKN-GOSISDBHSA-N 424.505 1.815 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722358368 BBCIASDHSFMUJN-HOTGVXAUSA-N 406.508 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1C 1722397494 QVPOFCGREYCRLN-RCCFBDPRSA-N 404.536 1.316 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H]1C(=C)C 1722427666 RKFRSVDSAXAJBY-PXNSSMCTSA-N 401.511 1.468 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)NC[C@H]2C1 1722589776 XAVTXNLGHMYTTM-HNNXBMFYSA-N 401.515 1.217 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1722638994 VLJPIHHSQIIOJU-BQIYRTECSA-N 418.542 1.121 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS1 1722682243 YNWWFKUICDYXBI-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOC2=O)C1 1722711374 DOAWXBGIBPJVHX-MRXNPFEDSA-N 401.471 1.302 30 10 HDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1729129439 NAGHDZMWPSLHQY-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1729317992 GXKBOYPEBPBUPT-MJGOQNOKSA-N 422.468 1.906 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOC1=O 1730829241 BTZJWXVGHVHLIC-MRXNPFEDSA-N 420.514 1.974 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1731000426 QURGWUHGSFITEZ-WMLDXEAASA-N 419.507 1.698 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1731003986 MGDNHMNZZJMPPY-IRXDYDNUSA-N 401.492 1.619 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1736501434 KAHJLOHOEJMSBN-ZBRFXRBCSA-N 401.507 1.241 30 10 HDEE C#CCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740597195 KHFKESMBBATSHS-QFBILLFUSA-N 410.540 1.355 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1740607540 VCHDRZGIRSKZOY-IBGZPJMESA-N 420.539 1.095 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1740644350 CLMAYSUBEJKPBE-UHFFFAOYSA-N 424.530 1.469 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCc1n[nH]c(C)n1 1740675842 JSJMXCVMHVAAMV-UHFFFAOYSA-N 424.484 1.864 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1740876090 OALUWNSMRJYUFK-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C[C@H]1CCOC1)C1CC1 1740995461 MTPDEGFGUOJJGG-NVXWUHKLSA-N 410.540 1.736 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1741119522 RFWCOISCGVVANQ-HKUYNNGSSA-N 410.478 1.623 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741123333 UGWYQTXEIRKWMV-SFHVURJKSA-N 408.510 1.351 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@@H]1CCCO1 1742837317 OVVCSEPIQRDWMT-IBGZPJMESA-N 411.510 1.766 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1748319473 NCMMGYZATDUUKV-DLBZAZTESA-N 422.489 1.731 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCOC1 1748687162 DJISHXFYIDJOSJ-HRAATJIYSA-N 400.479 1.865 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1748698410 GVIHMSYALFMQFP-FFZOFVMBSA-N 421.567 1.699 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1748918603 LGHAGNORKTUCGZ-HNNXBMFYSA-N 416.503 1.611 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1749019938 GMFCOJNBSZUSKE-HNNXBMFYSA-N 417.539 1.858 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1749214470 YCWNULAMSZJEFY-ZNMIVQPWSA-N 417.601 1.811 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749225912 LPTIWSUEIHOXBW-MRXNPFEDSA-N 402.543 1.537 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1749268597 DBUSLPBFFWBELC-HNNXBMFYSA-N 402.948 1.922 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 1749364607 UWYBJIXHWWQKTL-HNNXBMFYSA-N 409.556 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749657893 FIYFUYCXIGKUFN-KRWDZBQOSA-N 416.526 1.696 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C2CC2)C1 1749717891 QHKMBCDVLZBINH-AEFFLSMTSA-N 402.543 1.665 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1750069604 MDLSTMTZJJHPIA-PBHICJAKSA-N 410.478 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1760114495 NNJLTWBDYOJJOR-DZGCQCFKSA-N 413.478 1.761 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760140944 FCSFIRJVIVTBRP-UTKZUKDTSA-N 401.511 1.588 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760187594 KHOQUOIHVAZTGG-XAUMDUMWSA-N 422.551 1.102 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1760249151 IJVAWGZTXQCDCZ-MRXNPFEDSA-N 403.508 1.018 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760336284 WWHYETKHTBCMHL-SJLPKXTDSA-N 423.583 1.997 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1760515121 AVNKSKSDMLBLDP-HNNXBMFYSA-N 414.514 1.219 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1760527310 RVXPDGSJOMOXDT-UHFFFAOYSA-N 409.556 1.326 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1760541364 AVJMGZUIHGSFLS-KURKYZTESA-N 416.526 1.269 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760552552 RWNXUQRWFCHSSR-HZPDHXFCSA-N 404.540 1.547 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)C1 1760553824 JCYRUWFTIBYIAE-CYBMUJFWSA-N 407.496 1.453 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1760689514 YWDFTQDTDKJHKY-NSHDSACASA-N 419.291 1.708 30 10 HDEE CN(C(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1768417311 BVWVHICLQJMGSF-KRWDZBQOSA-N 409.494 1.860 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccoc1 1770045398 ZLDAMMALMGNAQP-YJBOKZPZSA-N 400.483 1.820 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)CC1 1770743847 BXUAYUNNYBYJRY-DLBZAZTESA-N 402.499 1.555 30 10 HDEE N#Cc1cccc(NC(=O)CN2CCN(c3nnc(Br)s3)CC2)c1 1851663044 RILGCQAUMRQHBY-UHFFFAOYSA-N 407.297 1.933 30 10 HDEE CN(C)C(=O)C1(N2CCCCC2)CCN(C(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1852150504 FIXADCIEDNVOQG-UHFFFAOYSA-N 422.533 1.994 30 10 HDEE CC(=O)N1CCN(CC(=O)Nc2c(-c3ccc(F)cc3)cnc3c(C#N)cnn23)CC1 1852614149 LICBXQUWQSZOAD-UHFFFAOYSA-N 421.436 1.510 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C2)CC1 1853680643 LLLRWAHOXJIIHU-HKUYNNGSSA-N 412.490 1.864 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1 1854663633 ONNKROAEAFPEKM-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)CN4CCCC4=O)C3=O)CC2)cc1 1855450276 MVNDTMZOLWAJAL-LJQANCHMSA-N 410.474 1.151 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1=O 1855552882 MUXAPEDQOXYDBY-ZDUSSCGKSA-N 411.430 1.654 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3COCCO3)C(=O)C23CCCCC3)s1 1855619807 WVUDLXDYRVKHGB-QGZVFWFLSA-N 403.504 1.909 30 10 HDEE CCn1nc2c(c1C(=O)N1CCN(CCOc3ccc(C#N)cc3)CC1=O)CCC2 1856310571 WQDYMTJORWJWKX-UHFFFAOYSA-N 407.474 1.627 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC(COc4ccccn4)CC3)C2=O)ccn1 1856498483 BSIGFPSKPRAYJP-LJQANCHMSA-N 405.458 1.880 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CCC[C@@H]3Cn3ccnn3)CC2=O)cc1 1856679612 JTVOWILRWCQDMQ-WOJBJXKFSA-N 406.490 1.622 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(Cc4cnoc4C)C3)CC2=O)cc1C#N 1856855881 JTOYRWJCKHBDCT-FQEVSTJZSA-N 407.474 1.722 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CCc2ccccc2)C1=O 1857144791 WKNPHKIHUFKZHV-LJQANCHMSA-N 404.474 1.229 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)Cn3cnc(C4CC4)cc3=O)C1)CC2 1857231133 RFMLTNRITPMUHJ-RDJZCZTQSA-N 409.490 1.121 30 10 HDEE COc1cc(/C=N/NC(=S)NCCN2C(=O)CSC2=O)cc(OC)c1OC 1860497290 BIKDXHHRDJCCCN-QGMBQPNBSA-N 412.493 1.206 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871557787 CVOFWQIVVDXREY-UHFFFAOYSA-N 417.521 1.736 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046022899 NRIMLMQUFBTUCS-IBGZPJMESA-N 407.467 1.966 30 10 HDEE Cn1nc(CN=C2N[C@@H]3COC[C@H]3CS2)c(I)c1Cl 2117762989 HNIHLVQSYMAEAH-POYBYMJQSA-N 412.684 1.886 30 10 HDEE C[C@@H](NS(=O)(=O)CC(F)(F)F)c1nscc1B1OC(C)(C)C(C)(C)O1 2130083336 VQVKAQDTPNDRTR-MRVPVSSYSA-N 400.253 1.985 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC[C@H](C#N)C1 2174780751 XVRUASDFZKNWKK-CABCVRRESA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174788600 HAPGKNCHUJHFKS-SYMLIENRSA-N 420.557 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CNS(=O)(=O)N2CC(C#N)C2)C(F)(F)CC1 2174789000 LIUYGWFQMFCKSZ-ZDUSSCGKSA-N 408.471 1.559 30 10 HDEE C#CCN(CC(F)(F)F)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2180103346 CEUWRFUFSOKMEP-LBPRGKRZSA-N 412.430 1.435 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243418740 KAWRXFFKARIPQE-VXGBXAGGSA-N 408.308 1.740 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247779310 QWTNAWZPCNDSII-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE C[C@H](CN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247816939 IDKUFWVKCNPHIW-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE Cn1cc(C(=O)N(OCc2ccccc2)C2CNC2)nc1B1OC(C)(C)C(C)(C)O1 2247836994 LICMPLKJWQZWOL-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE CC1(C)OB(c2cccnc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2247857328 FZDOCGXHLWSEKI-UHFFFAOYSA-N 409.295 1.927 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(=O)O)Cc2ccccc2)n1 2248575880 CTQHVWCBZSZZRM-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE C#CC[C@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258168886 NWOQZWHLDFDGGS-IRXDYDNUSA-N 408.476 1.574 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267379700 UAHQUNBNJUAYAO-XMMPIXPASA-N 407.388 1.484 30 10 HDEE CO[C@H]1CN(C)C[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939798 HPCXUUPUWJDISO-RYUDHWBXSA-N 400.737 1.760 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCO[C@H]3C(N)=O)c2Cl)OC1(C)C 2281945005 RAEKXHPCKDACAJ-GXSJLCMTSA-N 400.693 1.073 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCCC[C@H]3C3OCCO3)c(F)c2)OC1(C)C 2282053514 VTIQYAZUHJXLFY-HNNXBMFYSA-N 406.263 1.888 30 10 HDEE CN(C)C(=O)NCCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282054477 QZCGAXZTYSKOTR-UHFFFAOYSA-N 401.725 1.702 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)N)C1 2282315648 QOYXTKCSKMRRKF-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N 2282317171 NIKPZHRFASBKSF-GHMZBOCLSA-N 422.765 1.047 30 10 HDEE C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336575 FYDSLAUZXWOFTL-OCCSQVGLSA-N 400.375 1.938 30 10 HDEE C[C@H](O)[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282502105 GSSHKWGVHZPJTN-SMDDNHRTSA-N 401.721 1.783 30 10 HDEE CC(C)C[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504173 KWTRZVJINRHNJW-LBPRGKRZSA-N 404.363 1.269 30 10 HDEE C[C@@H]1CC[C@@H](N)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507910 NTSOQVMVAAQOON-TZMCWYRMSA-N 400.375 1.689 30 10 HDEE CO[C@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CSC 2282831235 GYCHNIBOWQUGMH-CYBMUJFWSA-N 402.347 1.037 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CC2(C1)OCCO2 2282834703 XIIBYWHHMLFXKM-UHFFFAOYSA-N 423.340 1.726 30 10 HDEE CC1(C)[C@@H](CN)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848883 TXHAGTPDFQKTIJ-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN1CC[C@@H](CN(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282862431 CKQDYHQOQBLSBA-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(CO)CCCC2)OC1(C)C 2282866443 JJIZLJPIRXZYEM-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CSC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884431 NXMRHWDIEGBYIF-LLVKDONJSA-N 401.363 1.200 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)[C@H]1C(=O)O 2284394476 YRHAASSJFCPLSD-RNCFNFMXSA-N 401.315 1.449 30 10 HDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccco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c2cc(Cl)sc2CNS(=O)(=O)N2CC[C@H](O)C2)OC1(C)C 2369893692 ACVMZCBVYVLRNY-JTQLQIEISA-N 422.765 1.102 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 27900608 KWLZIHWKLWXRQA-ZDUSSCGKSA-N 405.499 1.682 30 10 HDEE CCNC(=O)[C@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(C(=O)OCC)cc2)S1 58945559 SZKGGYLPHINHCX-DIGCTUSJSA-N 421.475 1.494 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 97973687 UXZCDTDGPVVXFM-SCNRGBPDSA-N 420.502 1.323 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)COc3ccccc32)cc1 109887376 PKKHOOWVCCUOET-QGZVFWFLSA-N 422.466 1.824 30 10 HDEE C#CCN(CC(=O)N(CCC#N)c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 111191687 GNDILEORCUEKHB-SFHVURJKSA-N 403.504 1.454 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)s1 150120628 OJPDSBZHKOZBSV-SNVBAGLBSA-N 412.352 1.630 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3nccnc3C#N)C2)c(C)c1 219983967 KECIYJAZZMPICZ-HNNXBMFYSA-N 401.448 1.457 30 10 HDEE NC(=S)NN=C1C[C@@H](n2nnn(-c3ccc(Cl)cc3)c2=S)[C@@H]2CO[C@H]1O2 263630151 JNFLYALPOZPRFZ-WOPDTQHZSA-N 411.900 1.327 30 10 HDEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409715912 JHHTXZSVTLWKAB-JKSUJKDBSA-N 410.478 1.411 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 410188175 KSPMVHGMGZHBBZ-MSOLQXFVSA-N 408.524 1.434 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ncccc1OCCCC#N 466607763 MOARZQDCIBQGIC-XOUADPBQSA-N 416.434 1.721 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 471567098 SZYDGTGUGWFSHQ-UHFFFAOYSA-N 423.498 1.982 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 475773952 QPCPRCUWWZKVTJ-AWEZNQCLSA-N 424.954 1.965 30 10 HDEE N#Cc1ccc(COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1F 479418505 UYUYJOTYFLJYQW-UHFFFAOYSA-N 417.422 1.092 30 10 HDEE COc1cc(C[C@H](CO)CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc(OC)c1 481018673 FMEURCGRDKYDAW-INIZCTEOSA-N 422.478 1.985 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 494181653 DGVGDPDROMJKMF-QWHCGFSZSA-N 413.396 1.812 30 10 HDEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505202554 FJQYYSMLXZPYPE-AWEZNQCLSA-N 422.507 1.091 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N[C@H](C#N)C3CC3)CC2=O)cc1 505966589 SNSVCFZMQBAXIU-CRAIPNDOSA-N 418.519 1.488 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 508950581 KSGHONYBTDNAKL-CQSZACIVSA-N 418.523 1.814 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cc([N+](=O)[O-])cc(Br)c2=O)c1 513814090 RHDQAUBKTSWIQB-UHFFFAOYSA-N 412.221 1.865 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1S(=O)(=O)NCC#N 514444941 QUYCHTAJPNDYAI-AEFFLSMTSA-N 421.519 1.094 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1C#N 535511082 NVLVVAWNOMLGLG-MRXNPFEDSA-N 400.508 1.667 30 10 HDEE Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1 539101130 SOZCJIABPZTUBH-UHFFFAOYSA-N 409.471 1.553 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC1 555454891 MEVXUNDSXWIBGO-QGZVFWFLSA-N 418.505 1.913 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2Cc3ccccc3O2)n1C 558444439 HKQOYSIIUVYVDF-KSSFIOAISA-N 402.462 1.868 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc([C@H](C)OC)no1 558991608 NMIKERIQPGRUPN-RYUDHWBXSA-N 413.504 1.191 30 10 HDEE CSc1nn(C)c(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c1C(N)=O 569883666 WPXCGUBSEPQDNQ-LLVKDONJSA-N 402.455 1.717 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](C)C(=O)OC(C)C)nc1C 586304605 PWNSZDOGNJXUQU-KPHLJTLVSA-N 402.494 1.822 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC(=O)N1Cc1ccccc1 589928370 INPHGBNIROESSL-XLIONFOSSA-N 418.501 1.974 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 610199793 MCIOZFNUVRWVSU-HXUWFJFHSA-N 411.462 1.656 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 670233379 YYKGGUBLLBQPIG-BBRMVZONSA-N 422.559 1.514 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732706407 IPLKWFQVWSYWHB-AWEZNQCLSA-N 403.870 1.179 30 10 HDEE CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740203882 HIQUCQYXRGZVJX-QGZVFWFLSA-N 402.428 1.928 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 744839826 LDSRQJMEPVZCIV-KBXCAEBGSA-N 401.463 1.617 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 745879502 AARAWHRLDBKYNO-IBGZPJMESA-N 413.522 1.120 30 10 HDEE Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 748414628 QDOMBICXJQTLDP-KBPBESRZSA-N 415.471 1.937 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=CC(=O)Nc2ccc(F)cc2F)C1 749788774 IBJAIRWMNIERJG-OAHLLOKOSA-N 412.437 1.379 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2(C)CC2)C1=O 751921855 ARZUDTWIJHUPCN-OVJLLXBISA-N 417.579 1.792 30 10 HDEE COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)oc1C 763257880 IDZQCYWBIIHYTM-UHFFFAOYSA-N 405.435 1.922 30 10 HDEE Cc1cc([C@@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCO2)ccc1F 764410017 YMGQTWLXQPYASK-SISFKGJESA-N 402.426 1.743 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 765521402 XVLBEVNVPSHRRP-CQSZACIVSA-N 422.507 1.351 30 10 HDEE C#CCN(C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 774035722 KATZVGWRVLSMSN-VQIMIIECSA-N 405.520 1.734 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774154521 IIRXJWFJKZHCOG-LJQANCHMSA-N 417.531 1.645 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 774195777 MPQRMQSIQIGAFY-ZWKOTPCHSA-N 419.503 1.136 30 10 HDEE C#CCN(C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774253688 HSLXFEMTSXCXKY-IBGZPJMESA-N 420.531 1.714 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 775849852 KSUZNBAXDCERJO-INIZCTEOSA-N 409.508 1.557 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 777774348 JVHYKGRBUDXTRB-UHFFFAOYSA-N 400.416 1.100 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)CC2 780208612 CWMBAUQVMUTTSO-NRFANRHFSA-N 410.426 1.737 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)cc1 781846266 TYYLMUYXWROQDA-OXQOHEQNSA-N 422.503 1.075 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)Nc3cccc(C(=O)OC)n3)cc2C1=O 787553262 MUVCCDHRFZELAD-UHFFFAOYSA-N 423.381 1.446 30 10 HDEE CCC[C@@H](CCCS(C)(=O)=O)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 789436548 SQXHGRBRVWMEPE-HNNXBMFYSA-N 400.522 1.913 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 790681779 FNKIGGSHHNPZNN-QXKOCSRTSA-N 403.479 1.462 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796421010 TZYBEWSHVYGLGU-OGWOLHLISA-N 417.510 1.660 30 10 HDEE C[C@H](C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)n1cnc(C#N)n1 798742457 NWFRHYMRAOSSTL-SECBINFHSA-N 403.196 1.225 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 800117529 XEHMVMBWRNINDT-CABCVRRESA-N 404.533 1.328 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccc(F)cc1 812752903 UHDONMRUTLJFEK-SFHVURJKSA-N 415.446 1.051 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(F)cc1 813067920 GFKUJQPDMJEYMU-SFHVURJKSA-N 419.478 1.612 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 849502904 GAXOHKYGIICCTG-LEWJYISDSA-N 407.518 1.970 30 10 HDEE Cn1c(S)nc2cc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)ccc2c1=O 916178015 GEUKANXEMXQNOF-UHFFFAOYSA-N 414.468 1.354 30 10 HDEE COc1ccc(CN2/C(=N/C(=O)[C@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 1082836194 SBUZTPLJWLNWOQ-DUJORUNISA-N 410.517 1.471 30 10 HDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1116067037 DULDSKNYTWYRIM-FZFLATATSA-N 402.495 1.400 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1 1129786441 FTAYTDTVRBOXCT-QGZVFWFLSA-N 409.504 1.761 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCc2ccccc2)c2ccccn2)C1=O 1132284204 AVCZEMRCEHNGTE-GOSISDBHSA-N 406.442 1.849 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1133780777 PUWWFXYNTVQZIC-AREMUKBSSA-N 407.473 1.417 30 10 HDEE CC(=O)N[C@](C)(C(=O)N[C@H](CC#N)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 1134050343 GWPHJXMVXWRGRE-HIFRSBDPSA-N 405.398 1.402 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nc4ccncc4[nH]3)cc2)C1=O 1134799783 MUTUCVYTTXWRRS-UHFFFAOYSA-N 404.386 1.540 30 10 HDEE COC(=O)CCSc1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1137946630 CZAVDWLEZMMLQL-UHFFFAOYSA-N 402.432 1.505 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1c1cccn1C 1138134906 CVTUBQUYGVLKBG-KDOFPFPSSA-N 402.476 1.164 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 1151154126 SKIZLEZNMWBJMP-GUTXKFCHSA-N 406.508 1.006 30 10 HDEE CN(CC(C)(C)CN1CCOCC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1152013494 PEAKQIKLFJAGJA-UHFFFAOYSA-N 411.499 1.553 30 10 HDEE C#CC[C@H](CO)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1160147385 VCYQEKQETNVLIQ-SECBINFHSA-N 412.265 1.794 30 10 HDEE Cc1cccc2nc(CCNC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)cn12 1164337425 BWWHGGVLIFYTCS-HNNXBMFYSA-N 411.487 1.540 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 1167654911 XJAVYBLHHBTWNM-OCCSQVGLSA-N 405.314 1.415 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1167952497 NASFDCGIGLSXHG-NVXWUHKLSA-N 406.504 1.100 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1196393520 PDRWUVWOMPRESL-MOXGXCLJSA-N 407.536 1.906 30 10 HDEE Cc1ccc(C[C@H](CO)CNC(=O)NCCn2cnc(C#N)n2)cc1Br 1228007062 ANJWOHNTLMVWRM-AWEZNQCLSA-N 421.299 1.371 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1229733720 VJSMBISEAXHNIH-HNNXBMFYSA-N 411.499 1.609 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CCO[C@@H](C#N)C1)C2 1254799345 IBROARSEJYTZGR-LBPRGKRZSA-N 407.496 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1286299479 WBTFJGZTYKAFOO-DLBZAZTESA-N 407.584 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1COCCO1 1286419190 YVSMXMAMOYMDII-HNNXBMFYSA-N 418.295 1.914 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286470626 AOUSIDUKAGKNFR-IGGDJGDASA-N 411.510 1.073 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1286475130 RMBJILFJLMQXKQ-GOSISDBHSA-N 401.898 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)NC)CC1 1286779151 FOJGOSPVGDHRRP-UHFFFAOYSA-N 412.494 1.218 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OC 1287782424 UREYVAJLFQMUTL-ZWKOTPCHSA-N 408.520 1.852 30 10 HDEE C=CCn1cc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)nn1 1288828181 KDGFFRRJAKKSED-LAPQFRIASA-N 419.482 1.383 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CCNC(=O)C(C)C)n2Cc2ccc(C#N)o2)n1 1290612929 XOBJOWZULNZUSL-UHFFFAOYSA-N 424.509 1.861 30 10 HDEE CCCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1294411383 XTOLSVMTUVLEMU-SFHVURJKSA-N 415.542 1.394 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN([C@@H]2CCSC2)CC1 1295046159 BZEODFYCJVGHGE-NVXWUHKLSA-N 400.552 1.603 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)CC2)cc1 1297408924 CQVKPHHNWKFWGB-FQEVSTJZSA-N 411.433 1.858 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)CN2CCCCC2)C1 1297729193 RUEZLYZRDSJHQN-KRWDZBQOSA-N 421.339 1.720 30 10 HDEE CN(CC1CC(F)C1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298488879 FMCZAPVEVJPTBB-HNENSFHCSA-N 402.474 1.941 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298577290 DXYZXYVPMQNODG-NFSBEEMKSA-N 416.482 1.129 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300357585 REPMICUEADTNLA-INIZCTEOSA-N 415.542 1.663 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1300609428 OZPHLNONJCNXRS-QGZVFWFLSA-N 421.509 1.101 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1300712329 PCWXLSIHPJMNEE-SFHVURJKSA-N 400.571 1.882 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CCOC)C(=O)C1 1300892446 SPMUGJSPRGYUPA-YLJYHZDGSA-N 403.527 1.507 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301223612 ZMMBKGGYINEEJW-MDZRGWNJSA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2F)CC1 1301500429 MIPUUESZTHPBNN-MRXNPFEDSA-N 414.485 1.550 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(COC)n2)C1 1301535106 HSNFLNKDCDNCTC-OAHLLOKOSA-N 420.539 1.849 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302979029 MYNXZVZYXPTALD-GAJRUTHPSA-N 421.436 1.913 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1303012824 IZZREZMHKYHGAO-CQSZACIVSA-N 414.432 1.981 30 10 HDEE C[C@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1303730831 DTXFUSOUSASYIE-QZTJIDSGSA-N 422.537 1.976 30 10 HDEE CCN1CCN(C(=O)CC2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)CC1 1307470437 KKRKLUQAZHVUNY-HXUWFJFHSA-N 406.571 1.324 30 10 HDEE C#CCN(C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C1CCN(C)CC1 1311536939 NDIYEQMSJZUNSD-UHFFFAOYSA-N 403.527 1.370 30 10 HDEE N#CC1(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCOCC1 1312405492 WMZNEDRFURNZBJ-OALUTQOASA-N 411.506 1.205 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1313191145 QNFUSSQBTJKMQU-IERDGZPVSA-N 409.534 1.800 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314817607 YTJMNGYIPWIOLM-INIZCTEOSA-N 418.523 1.229 30 10 HDEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1315953683 HYIVKMCTODIYCS-GUYCJALGSA-N 416.523 1.393 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 1316537148 AVLGKRBMMBPGAT-OLZOCXBDSA-N 421.383 1.420 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC)C1 1321306857 LSYLDEYCXRJZSS-INIZCTEOSA-N 405.524 1.997 30 10 HDEE CN(C(=O)c1ccc(C#N)c(Cl)n1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1348399241 PGLPCYAWKTUCHP-UHFFFAOYSA-N 410.821 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1359022264 TVUYQTISZKFGOX-UHFFFAOYSA-N 403.508 1.251 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)NCC)c1 1359024153 GKSCCLBEZWVQKK-LJQANCHMSA-N 411.506 1.666 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1cn[nH]c1 1359025416 NKHDCDOFACGCJU-LJQANCHMSA-N 408.462 1.842 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1359036644 CZNPIEKHZKOEBW-OAQYLSRUSA-N 415.925 1.429 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1359280840 GGNBORZMFQPWFM-GDLZYMKVSA-N 421.523 1.556 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1359298991 QYZAVTYZXCUPOV-UHFFFAOYSA-N 415.567 1.799 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 1360540860 GJRIPVBUOFPOJH-KSFYIVLOSA-N 423.521 1.239 30 10 HDEE N#Cc1cn(CCNC(=O)CCSc2nc3ccccc3s2)c(=O)nc1O 1453839601 ASBSYOWFAJOCGF-UHFFFAOYSA-N 401.473 1.729 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C3(O)CC3)CC2)CC1 1460364134 UQCAFRJZZQURDQ-FQEVSTJZSA-N 400.498 1.771 30 10 HDEE COc1ccc(C(NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(OC)cc2)cc1 1464076754 GNVPZRIFAHXMCR-UHFFFAOYSA-N 420.425 1.744 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)NCCN1CCOCC1 1464842968 ZNBWCCOFNNQFME-FOIQADDNSA-N 411.506 1.632 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)NCCN1CCOCC1 1464842975 ZNBWCCOFNNQFME-YWZLYKJASA-N 411.506 1.632 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 1466376984 DNOHKKFIHKHXLH-AWEZNQCLSA-N 400.522 1.311 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cc(O)nc(S)n3)C2)C1 1469723861 WSWARYLJQNKHJU-WZEQGRABSA-N 419.507 1.874 30 10 HDEE CCc1nc2cc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)ccc2n1C1CC1 1469942804 FNNUKVTUNXOISB-UHFFFAOYSA-N 421.461 1.567 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)cc(Br)c3N)C2)c(=O)nc1O 1472370683 KVMHUDUQEVVJMT-UHFFFAOYSA-N 424.642 1.516 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1475132516 SRAMCNIZWXSNSG-MOPGFXCFSA-N 424.519 1.631 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1504598996 CNFWFUKPLGQUGY-SFHVURJKSA-N 422.468 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507549152 YJCJGLODTOHWIP-OKZBNKHCSA-N 402.543 1.530 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1507553755 IYJLNJZCLNGQCQ-UHFFFAOYSA-N 410.526 1.645 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1507564924 ZHUJYRZDYMFJAM-ROUUACIJSA-N 421.567 1.651 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1507623728 WGUUKRDXTVZQEV-BEFAXECRSA-N 422.576 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cnn(CCOC)c1 1507645490 CRBWAIQTTKXDBI-UHFFFAOYSA-N 418.457 1.638 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1507651486 BGIQHGGXPCBPOT-INIZCTEOSA-N 416.407 1.959 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)OC 1507710487 PJPAYNDFBPWFLU-MRXNPFEDSA-N 424.505 1.796 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC2(C1)OCCO2 1507710529 QDPHNEHEQZVCCY-INIZCTEOSA-N 400.483 1.308 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@](C)(O)CCOC)CC1 1507722026 WVZYBZUZVAOQGA-QFIPXVFZSA-N 413.522 1.496 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)CC)CC1 1507727723 SQNPSYDACHDEDO-QFIPXVFZSA-N 408.506 1.645 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1507984527 XYLILERIBXTKBS-AWEZNQCLSA-N 413.544 1.669 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1OC 1508087727 PLTQIDAEWMJPPX-SJORKVTESA-N 424.505 1.882 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COC)C1 1508090541 JEMQAAXTPHLQDG-QAPCUYQASA-N 413.478 1.566 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC1 1508407451 QWNXGCGPJDTVQV-ZDUSSCGKSA-N 402.886 1.982 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCn2ccnn2)CCOC1 1508410637 FRRZRVLDGGNNOW-QFBILLFUSA-N 402.503 1.596 30 10 HDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1514376899 IDEXRUSAAJYWDH-SIKLNZKXSA-N 410.522 1.889 30 10 HDEE COCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1518803047 HCUCVZYCZKIOGW-YJBOKZPZSA-N 417.535 1.971 30 10 HDEE COCCN(CC1CCN(C)CC1)C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1534651799 SIYQIGUWFQEMPW-UHFFFAOYSA-N 412.538 1.967 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1536180147 QCFMGZZKOCUQAE-ALTJJMMQSA-N 402.472 1.670 30 10 HDEE Cn1nnnc1SCCC(=O)Nc1ccc(C#N)cc1I 1538266128 DVPZEQHLJDMQTL-UHFFFAOYSA-N 414.232 1.807 30 10 HDEE CC(C)(NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1cccc(C#N)c1 1538837527 HPJYIVBNOLPINS-UHFFFAOYSA-N 408.443 1.635 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539215423 BPIBZRCTGJQILN-OAHLLOKOSA-N 414.516 1.472 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1539237247 BMZFOTGSLKQCIF-GHTZIAJQSA-N 414.506 1.546 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCCO1 1539238773 BSYYEDBXSPSIEC-DLBZAZTESA-N 407.540 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCCNS(=O)(=O)CC 1539306237 UZYYVQVHWYRYOC-UHFFFAOYSA-N 403.508 1.639 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](COC)OC 1539315695 SRBAGYZWHOBANT-MRXNPFEDSA-N 420.473 1.718 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O 1539563956 RVUCNBJOHIRZCI-GOSISDBHSA-N 407.565 1.862 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H]1COCCO1 1539569282 ADOVBZRNJQHSSZ-RYLXDESZSA-N 404.511 1.800 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1539574469 LETWJNFICQRBSZ-VOMCLLRMSA-N 424.340 1.981 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOCC1 1539633243 XJYLMHFTCBUHJD-QRVBRYPASA-N 405.543 1.532 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539887742 GROSZUDQJCVZFN-DLBZAZTESA-N 409.556 1.466 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(Cl)c1 1541064874 CFVGFNOXCPDSDK-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN([C@H]3CCOC3)C2)c1 1541080207 DCNATHRNDKSCHS-XMMQZVGTSA-N 406.508 1.159 30 10 HDEE C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541863690 HOZRHPMBGKEJRQ-TZIWHRDSSA-N 424.549 1.903 30 10 HDEE Cc1nnc(N2C[C@H](C)O[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543189419 XVTQHSIHKVVMGK-VLADMRBMSA-N 414.388 1.269 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC(=O)N2)cc1 1543335540 KYCIZSHBXPOJIJ-HDHZYAPQSA-N 406.508 1.887 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1 1554493360 AOJOVOTZTUERSV-GOSISDBHSA-N 407.478 1.971 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCCCCO)cc1 1555990816 MIXDJQMEBIAOGW-UHFFFAOYSA-N 417.535 1.850 30 10 HDEE COC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(OC)c1 1559010603 FVGMNIKPXDQZIA-GOSISDBHSA-N 403.460 1.349 30 10 HDEE C=CCC1(NS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CCOCC1 1561731057 PSENBTSIATVGAV-HNNXBMFYSA-N 404.529 1.667 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 1564720807 IWJDELIRGJEYDW-UHFFFAOYSA-N 418.929 1.276 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC1 1565276677 TYVNVRBANXGZFC-UHFFFAOYSA-N 406.508 1.581 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1565589858 BHPLOKKVOFULIU-JOCHJYFZSA-N 422.573 1.572 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 1566673244 CVBYZNICENTRHV-DLBZAZTESA-N 406.527 1.058 30 10 HDEE Cn1cc(C(=O)NCC#CCO)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1568141829 GOVYAHOSEYCFRI-GOSISDBHSA-N 410.474 1.662 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2ncccc2C)CC1)c1cc[nH]n1 1568548260 DLNYPDJYENROKE-UHFFFAOYSA-N 415.450 1.467 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)C(=O)OC(C)(C)C)s1 1570637955 GMQFAOHNSFGLNY-ZDUSSCGKSA-N 402.538 1.991 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)nc1 1584637704 LXKLDLDPQVMQLP-OAHLLOKOSA-N 409.412 1.839 30 10 HDEE CC[C@H](C#N)N(C)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1586124628 LZHPXZNQEZKIIE-CYBMUJFWSA-N 412.468 1.765 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H]2CCC(=O)N2)c1 1587692293 BVFMARVUTCNTQK-FUHWJXTLSA-N 422.489 1.117 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1588054273 MVKLCCRZODIVPI-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1588132229 NYXYFAOLRIMMJU-GOSISDBHSA-N 412.471 1.435 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1588646225 HPWOJMIAJZYXDG-QGZVFWFLSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CCOC)CC1 1588750958 HQTOBAGHJIFSLO-JOCHJYFZSA-N 419.570 1.748 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)CC1 1588811685 MILVZBHVYYYIAW-ROUUACIJSA-N 419.595 1.762 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC)N2CCCC2)CC1 1588865242 QWWLEVBRQLUEPO-IBGZPJMESA-N 413.570 1.030 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C3OCCO3)c2)CC1 1588947936 ZSUGDXDYBLUBCK-UHFFFAOYSA-N 423.517 1.900 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC#C)CC1 1589069115 IQEXZBWLTALEGZ-HXUWFJFHSA-N 423.542 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1589494894 OQQSFNKMHAWATF-PMPSAXMXSA-N 413.544 1.096 30 10 HDEE CCOCCn1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 1595349813 NYVVYNYDBVJGDO-UHFFFAOYSA-N 407.478 1.922 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCN(C)C2)C1 1595738797 VDNNUPWLBFCNHB-PXNSSMCTSA-N 403.552 1.778 30 10 HDEE Cc1nnsc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1611884926 IEHJTKURANGMBC-ZDUSSCGKSA-N 407.525 1.128 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1618815659 PSOWDUAFGUIUBK-FUHWJXTLSA-N 423.521 1.538 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1620305783 YCZYWIVFOXGZST-JPUDBKAVSA-N 411.441 1.661 30 10 HDEE N#Cc1sccc1N1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 1620417038 HMWXIYCBOPKXAU-UHFFFAOYSA-N 403.552 1.651 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 1623611059 KQOLPKJPGGPBKS-UHFFFAOYSA-N 418.494 1.923 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 1623968906 DHGQLHGRKXBDQW-INIZCTEOSA-N 423.473 1.720 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCn3ncnc32)c1 1624893057 RTTGERRBHXXKJG-QJIFYWSCSA-N 402.480 1.607 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(COc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1627136742 NVEPIZUCMSCLJY-KPZWWZAWSA-N 421.475 1.872 30 10 HDEE CC(C)(CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)NS(C)(=O)=O 1627251226 KPDRFPCOZSWLKD-UHFFFAOYSA-N 401.529 1.081 30 10 HDEE C/C(=C\C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)CN1CCOCC1 1629710114 QPXLUYLIWVEUCD-SAPNQHFASA-N 408.506 1.653 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCC1 1630198769 WYIFVPJZEOGVSM-INIZCTEOSA-N 407.492 1.526 30 10 HDEE C[C@@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1633679301 FSISCRQWIFLNCQ-LBPRGKRZSA-N 422.432 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(N2CCCNC2=O)CC1 1636826171 PKZKZJMLQCYJLN-INIZCTEOSA-N 407.515 1.980 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)s2)CC1 1637667491 GHYUDAAYIQLHAU-GFCCVEGCSA-N 401.510 1.279 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1639840572 OOKBFVSRVHIWRO-OAHLLOKOSA-N 406.460 1.470 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN(CCO)C(C)C)CC2)c1 1643401816 XBJJONZRPZGQKV-UHFFFAOYSA-N 423.579 1.706 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)c1 1643877882 KOFKZELHNOCIFB-LJQANCHMSA-N 404.444 1.018 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)C1 1645010334 VPLHTDMEYHRUHX-NWDGAFQWSA-N 407.418 1.388 30 10 HDEE CCCc1nnc(SCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)n1N 1645666095 IEZORWFDFJPGNB-UHFFFAOYSA-N 400.508 1.730 30 10 HDEE CCc1ccc(C(=O)NCC#C[C@H]2CCCCO2)cc1S(=O)(=O)N1CCOCC1 1653545170 XCBHLCDLKTVRIP-LJQANCHMSA-N 420.531 1.572 30 10 HDEE CN1C[C@@H](CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H](c2ccccc2)C1 1654656257 RAFLICCBIBFZOR-QUCCMNQESA-N 412.515 1.298 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](C)N(CCO)C[C@H]2C)n(Cc2ccco2)c1C 1654775876 YOUNVBNOIGXKKV-JKSUJKDBSA-N 413.522 1.943 30 10 HDEE COC(=O)[C@@H](c1ccccc1Br)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654885968 UOHJNYQLCFYVAD-PEYYIBSZSA-N 413.293 1.533 30 10 HDEE CN(CCN1CCCCC1)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654906954 FEKCGGJQWFMZIZ-OAQYLSRUSA-N 401.530 1.952 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1 1661744062 XIRFFOZBIKRFLM-UHFFFAOYSA-N 413.434 1.863 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1665168803 BUGZEXOLITVIAC-JTQLQIEISA-N 412.327 1.458 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc3ncccn3n2)cc1 1673399123 ZFZDYTJHOUTDCE-UHFFFAOYSA-N 401.452 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CC[C@@](O)(CC#N)C3)c3nccn32)C1 1676429617 QHDGHLHDKYYSHN-VLIAUNLRSA-N 416.482 1.334 30 10 HDEE C=CCN1CCC(NC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1677128131 ACYDLQMJBPHGFT-INIZCTEOSA-N 406.502 1.689 30 10 HDEE C=CCCOCCNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1679687868 ZYDMQLPQFDCTTP-INIZCTEOSA-N 409.527 1.943 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN3CCSC[C@H]23)C1 1681228444 ZCKNBHWGEZFKQK-CAOSSQGBSA-N 409.556 1.624 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)C2=O)cc1 1681302359 XGESYACRWLWCTD-ZCNNSNEGSA-N 411.506 1.294 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@]3(c4cnn(C)c4)CCCO3)CC2)c1C#N 1685570865 VYAXJTIMDMPVSJ-LJQANCHMSA-N 415.523 1.594 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1689914713 AWJIDVUYFNFYSJ-CYBMUJFWSA-N 418.299 1.663 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2CC)CC1 1690115449 GSHFMWHOLSLFMM-UHFFFAOYSA-N 401.478 1.232 30 10 HDEE C=CCC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)C1 1690437438 CVXDTESTOOCGLV-UHFFFAOYSA-N 402.524 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOC2(CCCCC2)C1 1690723870 CGMXQKMVTQIXJE-KRWDZBQOSA-N 424.567 1.922 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1691001427 IKMLRNLTVRDPEO-OLPIVMHESA-N 402.499 1.553 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1695498844 FZCPBTODCACDCL-UHFFFAOYSA-N 423.521 1.777 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1705485034 BMJLUIHYDYZFKR-OAHLLOKOSA-N 415.461 1.831 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705515335 AVNMGHJQIWLBOX-IAGOWNOFSA-N 400.527 1.726 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1OC 1705525134 ZDIPIXFGRVKWJZ-OAHLLOKOSA-N 405.524 1.947 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705570995 UAKGTJTXQPTHON-KRWDZBQOSA-N 418.567 1.699 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)Cc2ccccc2)CC1 1705638131 ZURIAQATGTWPHQ-UHFFFAOYSA-N 418.549 1.566 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1705698982 AZBYYPOFGKAIHX-RKVPGOIHSA-N 418.542 1.561 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1C 1705873709 SRJYPAGIXIYIOG-UHFFFAOYSA-N 403.450 1.949 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](COC)C1 1705932125 MHHRQUQIQUBAIV-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE CC(C)CO[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706530119 XOKZTCMHGDQNNQ-MXLIYFDZSA-N 414.510 1.933 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1706625185 HEUGCUXVHNGZEL-CQSZACIVSA-N 421.502 1.012 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1710971359 BVUMSKVCOHRTBG-HXUWFJFHSA-N 412.473 1.826 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1712288952 VIMOXWANJKZRRJ-AYOQOUSVSA-N 413.478 1.472 30 10 HDEE COCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712394766 JVBRNGJXEGDHBN-HOTGVXAUSA-N 412.498 1.195 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCC2 1712522030 OLXSDPJHFXAKOW-CQSZACIVSA-N 400.487 1.328 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1Cc1ccc(C#N)o1 1712530178 JYNBCGDFHNIOEV-CQSZACIVSA-N 416.482 1.607 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC(=O)NCC2CC2)cc1 1712879542 DWUZCNWUEFFVCI-KRWDZBQOSA-N 421.505 1.435 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)CCO1 1712884849 UKNKYHSROSCAPK-CHWSQXEVSA-N 405.409 1.677 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722301382 XNXBAUMJMVZTGH-DNTCVELPSA-N 405.462 1.248 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1722415802 DSSYAZMPYOUHIB-IAGOWNOFSA-N 417.554 1.938 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2C[C@H](F)C2)CC1 1722437220 LJFMDPTZMDINIG-BRWVUGGUSA-N 409.531 1.074 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCCCC2)CC1 1722438611 VATVVGWLUCPHRK-LJQANCHMSA-N 410.570 1.556 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H]1C 1722466715 CYGKPFPBUDSWKI-FRQCXROJSA-N 408.572 1.365 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1722732578 MZFAYZSFQYMJGX-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1722864852 CNWSSVIRNHALDF-INIZCTEOSA-N 419.489 1.948 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1723778654 HPFDNHQJJFKBOY-QWHCGFSZSA-N 405.471 1.590 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1730842726 PEKNZOQBPIFLKP-DVOMOZLQSA-N 403.405 1.868 30 10 HDEE N#Cc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCS(=O)CC2)o1 1731184699 RYKIYLHTBDCZDP-UHFFFAOYSA-N 412.431 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1740534662 JCIYTVNWEWRTCU-KQRDDFEUSA-N 406.527 1.707 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1740581591 BJMHWAVQUPTYSZ-OAHLLOKOSA-N 415.519 1.429 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CCC(N)=O)CC1 1740588761 GKDROKYWVNRZSR-UHFFFAOYSA-N 412.494 1.901 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(C)=O 1740646699 IOROFMOYGFCGTQ-NRFANRHFSA-N 401.511 1.308 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740670192 NGCHFNDDXIHJSG-MOPGFXCFSA-N 416.570 1.922 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(OCC(N)=O)c2)CC1 1740689805 IJPTXNBOACYOML-QGZVFWFLSA-N 410.522 1.459 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1740731083 OSVHYSKCTRMXRQ-PDOICOKGSA-N 422.551 1.224 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(N)=O)C1 1740751035 HBBGSYBHXOVDRI-TVFCKZIOSA-N 421.542 1.685 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1740891164 UCTOWYQUNJPQMS-WMLDXEAASA-N 424.546 1.953 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1740899832 PISSTOGQNHALLW-CYBMUJFWSA-N 408.528 1.155 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740959197 NHNZWCUGWCKOCT-KRWDZBQOSA-N 411.510 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)C1 1740973095 RBTLLCIYIGZMPT-JXFKEZNVSA-N 417.514 1.277 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCOC1 1747617148 AJBDVEQVSPHMKD-MRXNPFEDSA-N 406.450 1.195 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1748316077 IFAQLQXRMWMCIA-HYDGNGQDSA-N 413.503 1.727 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)cc1 1748770296 AJBTULFUDMJNRF-HNNXBMFYSA-N 405.524 1.795 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748785281 QEEBBBKOYRFQJI-UXHICEINSA-N 422.533 1.590 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCOCCS(C)(=O)=O)CC1 1749336783 UBNRTAPTMNREPD-UHFFFAOYSA-N 408.528 1.142 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1749445056 IYSIYVAAYPCHFL-OAHLLOKOSA-N 413.544 1.098 30 10 HDEE COCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1749772886 LDHUJBLXHQBKOT-IBGZPJMESA-N 417.445 1.873 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(OC)CCCC1 1750154201 IZOFITZGAUNDCK-ULQDDVLXSA-N 405.499 1.690 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1750580567 GLYDSZIKVYYWTJ-AYOQOUSVSA-N 409.556 1.717 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)CCOC1 1751025665 GHMSPISTZNPXLD-FXAWDEMLSA-N 403.483 1.394 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752673893 RWCUSYHZQCNNDH-AYGAQVIVSA-N 416.482 1.317 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1ccccc1F 1760163393 URRYISMMANPTQG-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1760170174 SCBDAWRMVVZPFU-UHFFFAOYSA-N 400.508 1.446 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1 1760176230 CJOZTQBMIACXMX-QGZVFWFLSA-N 402.520 1.794 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760189215 SMROOZKJZQGEEB-MBOZVWFJSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCC2)CC1 1760259688 OYGOAZRCXMGFHZ-KRWDZBQOSA-N 405.568 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CC=CCO2)CC1 1760268340 QELWBYHGTPFDGN-IBGZPJMESA-N 406.490 1.651 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760280434 FKWJCEXNOOGXON-GOSISDBHSA-N 423.546 1.742 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCO1 1760325018 OJUGLEABOTWNBQ-MBOZVWFJSA-N 403.527 1.997 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCCC2)CC1 1760382695 WPCNJMMQWHZLNK-DLBZAZTESA-N 410.588 1.777 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1762034148 GMRNKRHPAANIKR-GJZGRUSLSA-N 411.510 1.822 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1766869815 AWMWHRYGDLXDMK-SFHVURJKSA-N 423.521 1.063 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1766975035 BHYZAEYAEPOETA-QGZVFWFLSA-N 420.477 1.866 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCN(C)C1 1767983866 IMLOCTMLYJMVRL-DXIQSLLYSA-N 410.522 1.625 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1768518560 RFKSJOVUYPITTF-NRFANRHFSA-N 411.510 1.097 30 10 HDEE COc1ccc(-c2ccc(N3CCN(S(=O)(=O)CC#N)CC3)nn2)cc1OC 1849585994 DNQZNIAAAKWTOW-UHFFFAOYSA-N 403.464 1.136 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1 1849994984 WBCGNKMEIVRJRK-INIZCTEOSA-N 404.467 1.128 30 10 HDEE O=C(COc1ccc(-n2cnnn2)cc1)NCC#CCN1CCc2ccccc2C1 1850212385 RLUGFGGWTUDNQF-UHFFFAOYSA-N 402.458 1.219 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)N(C)CCC#N)CC3)CC2=O)cc1 1850476364 PGDOQBSYQPNRHW-FQEVSTJZSA-N 410.518 1.954 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCC(COc4ncccc4C#N)CC3)CC2=O)cn1 1850635692 GYCQAELDTNMCIZ-QGZVFWFLSA-N 408.462 1.357 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C(=O)N2CCO[C@@H](C#N)C2)C(C)C)c1C 1850807867 AOWWFNTYQIDBRY-ZWKOTPCHSA-N 407.536 1.974 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)COc3ncccn3)C(=O)C23CCCC3)cc1 1853612015 VPAQBLRUCXVWMZ-UHFFFAOYSA-N 405.458 1.911 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2=O)cc1 1854026098 VEVYVHPMLWMRKU-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE CN(C)CC(=O)N1C(=O)CCN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 1854263717 YTMYGMQTFLFHDT-UHFFFAOYSA-N 412.471 1.578 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)COc2ccc(OCC)cc2)C1=O 1854330691 PRKYRHQYRHBVDR-OALUTQOASA-N 415.490 1.310 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)c2cnc3sc(C)nn3c2=O)C1=O 1855375870 VMOBLBKDKFLNNJ-HIFRSBDPSA-N 401.492 1.631 30 10 HDEE C[C@H](CC(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1ccnc1 1856392947 SVGGBPHAEFPKQS-HZPDHXFCSA-N 408.462 1.239 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)n3nc(C4CC4)ccc3=O)C(=O)C2)C1 1856844947 WVLCSLXXQKYEIX-SJLPKXTDSA-N 413.522 1.003 30 10 HDEE Cc1nnc([C@H]2CCCN(C[C@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)o1 1856867437 UDTAFBQLNSMUDD-WBVHZDCISA-N 408.462 1.903 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2C[C@H]2c2ccccn2)c2ccccc21 1856898314 RNWINUABLROGNT-HUUCEWRRSA-N 410.455 1.808 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857069166 RJFNFRPYQKJEPT-GOSISDBHSA-N 404.474 1.528 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857317330 XJLLVVWOAFOCNK-KXBFYZLASA-N 419.472 1.991 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(CC(F)(F)F)c3cccnc3)CC2=O)CC1=O 1857480667 JMYJOMANQXQZDU-HUUCEWRRSA-N 424.423 1.860 30 10 HDEE CC#CC(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2[C@H]1c1ccccc1 1857659826 HVPAGJIJSBNCPO-HXUWFJFHSA-N 402.458 1.502 30 10 HDEE C=CCn1cc(OCC(=O)c2ccc3c(c2)N(CC)C(=O)CO3)c(=O)cc1C(=O)O 1857890281 PNMSFELZAYTKLJ-UHFFFAOYSA-N 412.398 1.740 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1858333488 HZVZSIYMLYOGQA-OAHLLOKOSA-N 400.416 1.659 30 10 HDEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCCN2CCCC2=O)C1=O 1863527334 NZBDFJPZKBYJFG-UHFFFAOYSA-N 413.474 1.572 30 10 HDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CSc1nnnn1C 1870279353 CMOIGPMKDGGGEQ-UHFFFAOYSA-N 418.523 1.487 30 10 HDEE C#CCOc1cn(CCCO)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871008106 GYJJGOXWZJHKBS-UHFFFAOYSA-N 402.447 1.881 30 10 HDEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)cc1 1871280845 RUVJFSBRAHGNCH-UHFFFAOYSA-N 418.456 1.970 30 10 HDEE N#Cc1ccccc1NC(=O)CCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1873868952 YKLVPJLUKKPLQH-UHFFFAOYSA-N 412.471 1.992 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccc1 1874433668 RPKXRDWWJAWYGQ-AWQFTUOYSA-N 415.504 1.984 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccncc1 1874471301 XHBYTXGZPPHUCN-SRZZPIQSSA-N 400.464 1.746 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cs1 1890368594 USHUNWHAAHUUMB-CYBMUJFWSA-N 414.487 1.850 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](C#N)C1 2054402132 ALKWDOUXWUWWFJ-MSOLQXFVSA-N 406.508 1.810 30 10 HDEE N#Cc1ccnc(C[S@@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074713814 YOXJSNCHNROUGI-UULLZXFKSA-N 401.444 1.972 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N[C@@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2166296323 PMRANQPBHSYMPM-SJCJKPOMSA-N 403.501 1.604 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1 2176034569 HWGHLXAMQAQCSD-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)N=c1[nH]ccnc1I 2178137727 OHAKMJFBFGMTKX-UHFFFAOYSA-N 400.201 1.317 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@H]1CCS(=O)(=O)C1 2180095384 RIUVNSZJZWCBGP-XQQFMLRXSA-N 406.451 1.041 30 10 HDEE C#CC[C@H](C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196815050 WTCKKBJXLBHWQR-VIFPVBQESA-N 407.229 1.927 30 10 HDEE O=C1c2ccccc2C(=O)N1CCc1nccn1Cc1nscc1C#CCCO 2227100293 ZFBMFYJHMNQYQW-UHFFFAOYSA-N 406.467 1.961 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cc(Br)cnc1C#N 2247169909 FPJKVVVDVDSAMH-UHFFFAOYSA-N 401.261 1.376 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247823303 NGIOZFMNWDRQFW-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@H](CN)C3)cc2Cl)OC1(C)C 2267704308 LMTZMAWZBJUUCD-AOOOYVTPSA-N 406.766 1.716 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCS(=O)(=O)C(F)(F)F)c2)OC1(C)C 2281977221 MFCZMSKOIOZZBR-UHFFFAOYSA-N 413.248 1.712 30 10 HDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H]1CO 2281977483 PXJYDXGOKYCTIF-NSHDSACASA-N 400.737 1.449 30 10 HDEE C[C@H]1[C@@H](N)[C@H](C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282331935 UAYTZXKKPLEXQQ-XUJVJEKNSA-N 400.375 1.794 30 10 HDEE C[C@@H](O)[C@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282502102 GSSHKWGVHZPJTN-BXUZGUMPSA-N 401.721 1.783 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282551758 LWOUQTSWRYMZTN-ZFWWWQNUSA-N 405.304 1.333 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282632937 RLHAGVGKGSBIQZ-GFCCVEGCSA-N 401.359 1.989 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H](O)[C@H]3C4)cc2Cl)OC1(C)C 2282829118 ZYMHBQIQOAHWCB-JLLWLGSASA-N 419.761 1.845 30 10 HDEE C=C(Br)CNC1(C(=O)O)CCN(CCNC(=O)OC(C)(C)C)CC1 2306463397 PSJKNTHYDSEMSM-UHFFFAOYSA-N 406.321 1.929 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc3c(c2)OCO3)cc1 2325700012 DVSNQYLPMWMXOY-UHFFFAOYSA-N 416.411 1.461 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)C#CC(C)(C)S(C)(=O)=O 2339661348 HENODNDOTYZFTJ-LBPRGKRZSA-N 400.522 1.975 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2367789250 RRRUAMAYCKBLTO-BZUAXINKSA-N 400.541 1.617 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367789513 ROSVWEJQQVFPRR-KBPBESRZSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]1(C)[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812857 XOQHWCYOXYGIIA-ZTFGCOKTSA-N 400.541 1.435 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)CC1 23264954 XZOWLEAMKWHSRU-LJQANCHMSA-N 400.567 1.982 30 10 HDEE CN1CCN(CCCNc2ccc(S(N)(=O)=O)cc2C#N)[C@H](c2ccccc2)C1 301327562 BSDREOOPPLEZLJ-NRFANRHFSA-N 413.547 1.996 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H](C)n2cnc(C#N)n2)s1 409672101 YMKNGJPYECLSOX-LBPRGKRZSA-N 410.525 1.162 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 439246232 LCSMJNVQROHYGO-RTBURBONSA-N 409.490 1.043 30 10 HDEE C[C@@H]1O[C@H](C)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1C 446059502 FNFOKZYPJAHIKF-OAGGEKHMSA-N 413.478 1.953 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 461731992 WXFKZWHWAUATJJ-MRXNPFEDSA-N 410.386 1.954 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(F)c1 480727069 CRMVRHLGORAQJZ-ZDUSSCGKSA-N 418.493 1.013 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C#N 489237123 MCVHBJLMJUTPDQ-MRXNPFEDSA-N 407.455 1.783 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489237823 GFNFKFFPGVDPLM-AWEZNQCLSA-N 408.499 1.451 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@H]3CC(N)=O)CC2)cc1 497314638 SECVDJHOIPISGM-KRWDZBQOSA-N 418.519 1.215 30 10 HDEE N#C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(Br)cc1 499387299 HKAXWPSQYVUNMB-CYBMUJFWSA-N 401.286 1.045 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 506185323 AGLSEKDMIFLEEP-LEWJYISDSA-N 414.462 1.619 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 508929447 HSROSZCJDFTQSS-HNNXBMFYSA-N 413.507 1.767 30 10 HDEE CCN(C(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 509065600 FOEQWJKWCSGZCK-FUHWJXTLSA-N 419.547 1.826 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 512933541 KAJXHUXBBRCBOD-KRWDZBQOSA-N 409.442 1.742 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCC(=O)NC)CC1 514679338 GHWKEUVMSAEUEV-UHFFFAOYSA-N 404.515 1.212 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-n3ccnc3)nn2)cc1 522584062 IRMZVWVZJKAEHL-MRXNPFEDSA-N 405.443 1.688 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccc3)c2=O)cn1 523858480 MNOIDXXWFRHCGT-UHFFFAOYSA-N 404.495 1.988 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 524978419 PEUUDRFZACKQPD-UHFFFAOYSA-N 410.526 1.551 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)N3CCOCC3)c2C#N)C1 526841081 FQQJFZGZXZFPHE-JWNZJDHWSA-N 409.533 1.291 30 10 HDEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cnn1CCO[C@@H]1CCCCO1 533923153 ZVMVWKFLBGEUMP-HXUWFJFHSA-N 424.505 1.964 30 10 HDEE C=CC[C@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 542855631 WKQCDXHDKHPNHM-QGZVFWFLSA-N 405.495 1.605 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(Cc4ccncc4)CC3)CC2)n1 546883710 OIOIEVHFKZKSBE-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccc(Cl)cc3)C(N)=O)cc2C1=O 553758016 OIYCFGAGUSGMQR-QGZVFWFLSA-N 411.845 1.948 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)Nc3ccc4nccn4c3)CC2)cc1 557350883 YJZFZKZQRAUDKQ-UHFFFAOYSA-N 402.458 1.879 30 10 HDEE C(#CCN1CCC(Oc2cnccn2)CC1)CN1CCC(Oc2cnccn2)CC1 560195347 BSYUFAWPXSGHLA-UHFFFAOYSA-N 408.506 1.657 30 10 HDEE CC(C)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnc2ccccn12 578473737 IBZKZEUAQHWCNA-SFHVURJKSA-N 412.475 1.393 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@@H](C)C(=O)OCCOC)cc21 586315657 YDJONWXUXNSNMT-CFJPQMKISA-N 409.460 1.108 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c(F)c1 610426251 MLOIERQENWIGGY-CQSZACIVSA-N 416.434 1.014 30 10 HDEE C=CCOCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 679515655 CZYHTUOKKIZZQY-HNNXBMFYSA-N 417.325 1.921 30 10 HDEE Cc1nc(I)c(I)n1C[C@](C)(N)C#N 725538086 MNJYKNSSTURYSP-MRVPVSSYSA-N 416.004 1.642 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC 729671818 PNFYIYQPWUFJOT-UHFFFAOYSA-N 424.526 1.712 30 10 HDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCN1C1CC1 732650135 GVQGMGRWGYCMKH-QGZVFWFLSA-N 420.510 1.425 30 10 HDEE C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(OCC(=O)NC2CC2)cc1 732699963 HGHYHSJGIYNFBW-DNVCBOLYSA-N 411.506 1.787 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 739049483 OXLZTFLZTUNOBT-BQIFBJFJSA-N 421.523 1.665 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1nc(-c2cccc(Cl)c2)no1 746021541 HOKRQBYKOGWCTJ-VLGSPTGOSA-N 401.810 1.923 30 10 HDEE C[C@@H](C(=O)NCCNc1ccc(C#N)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 752412634 GTMDXFIABMEXON-CQSZACIVSA-N 401.492 1.535 30 10 HDEE CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760389156 UTVQKPGRBVRSJD-GOSISDBHSA-N 403.504 1.880 30 10 HDEE CN1CCOc2ccc(NC(=O)C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc21 762000929 BGDSATZNCFIHOY-HXUWFJFHSA-N 406.442 1.925 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 774195864 URKJXJZLGUIQIY-VQTJNVASSA-N 403.548 1.873 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1C1CC1 777752405 MPKMQXZURMEKFI-PBHICJAKSA-N 405.861 1.966 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 780175997 LOWKDAABUJBABF-QVKFZJNVSA-N 402.447 1.911 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)Cc2ccon2)CC1 786011904 XKTNEWSUQWFLTF-UHFFFAOYSA-N 411.374 1.229 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)n1 788811404 SYDQZRBFQQDXCA-QFIPXVFZSA-N 421.501 1.720 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)NC[C@H]2COc3ccccc3O2)n1 789324630 QITNMIITMVVPMF-MJGOQNOKSA-N 412.490 1.309 30 10 HDEE Cn1c(N2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c(=O)n(C)c1=O 808082516 WURIPPGTFBVAIF-FQEVSTJZSA-N 403.483 1.183 30 10 HDEE C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 817091278 ODLFTPONDLRCJI-ABAIWWIYSA-N 407.879 1.617 30 10 HDEE COc1cc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)ccc1C#N 1125420791 QALZEBNMGQHJDZ-UHFFFAOYSA-N 408.458 1.881 30 10 HDEE C#CCN(C(=O)c1nn(-c2cccc(F)c2F)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1125884187 RZMQVFHFWWDJNS-ZDUSSCGKSA-N 419.453 1.902 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NC2(C#N)CCSCC2)c1 1127188647 BMBXLTKLGUCXHA-UHFFFAOYSA-N 401.535 1.622 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3cc(C(=O)OC)sc23)C1=O 1129286837 QKYBQKXAWMYTHP-UHFFFAOYSA-N 401.400 1.603 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3C[C@H]4CCCCN4C3=O)CC2=O)cc1Cl 1129497888 DDMWWTNMYSXCPQ-CPUCHLNUSA-N 400.866 1.834 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](C#N)C3CCCC3)cc2)CC1 1132849343 CHKAJOCGNYHPIE-LJQANCHMSA-N 418.519 1.352 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NCc3nnc4n3CCNC4=O)c2)c1 1133177394 VRFVUXXUDJMRLL-UHFFFAOYSA-N 402.414 1.402 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3nn[nH]n3)cc2)c1 1136820339 SNWBUPCBQLRZNH-UHFFFAOYSA-N 411.443 1.828 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)c1cccc(COc2ccccc2C#N)c1 1140211740 DUVJRRAGBFKYOX-UHFFFAOYSA-N 402.476 1.263 30 10 HDEE COc1cc(OC)c(C[C@@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 1158413764 ZFFQVBUQGXDYAT-NOFRPNMFSA-N 417.462 1.676 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1158986138 FKNSXXLJAAKPQA-SJLPKXTDSA-N 410.561 1.775 30 10 HDEE CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1159489563 HDIPUDPFYVJGOK-NSHDSACASA-N 413.459 1.343 30 10 HDEE C[C@@](CO)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1163973194 GGRSWMIWOSTBOD-AVRDEDQJSA-N 406.442 1.787 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 1165746139 ZIXZOWMZAHFPRN-CQSZACIVSA-N 400.522 1.183 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)c1 1185653061 ATKVBFNUGSZWJQ-UHFFFAOYSA-N 408.382 1.650 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1225936678 GAXAVMYUBHCZTH-QZTJIDSGSA-N 415.494 1.881 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[C@@]4(CO[C@@H](C)C4)O3)CC2)c1C#N 1255569040 PEEXGGJTLKRYKM-ZUEVXXBESA-N 405.524 1.881 30 10 HDEE C#CCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](C(F)(F)F)C1 1282828076 UUMUUWSGLVOABV-DEQQHWRFSA-N 402.413 1.347 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286347802 BYRCXUJTQGVKCU-UHFFFAOYSA-N 421.549 1.806 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@@H]1CCOC1 1286366113 UGOWWEJQXYEJEX-MRXNPFEDSA-N 417.535 1.691 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N1CCOCC1 1286375232 VQGSXIYBOHKPGN-GOSISDBHSA-N 424.553 1.242 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286385322 WJBHHFIZKZBHMN-IBGZPJMESA-N 415.519 1.414 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1286424017 QSIOPAAADSQLHZ-HSZRJFAPSA-N 419.485 1.658 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CC 1286467271 OIMUHBYZIWXNHC-IBGZPJMESA-N 416.547 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1286478415 AGFGVMDPGBVCCX-HXUWFJFHSA-N 422.533 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1286480321 KWJXXOJGQKRESW-YMGMXPECSA-N 407.584 1.822 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286497381 QUTOVJVZNQGSDG-ABSDTBQOSA-N 424.567 1.753 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286500919 HJIXXHFIQKUKFF-KRWDZBQOSA-N 420.560 1.943 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286592018 CBZCYQVFZWAFAO-UHFFFAOYSA-N 404.478 1.737 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286680517 LFVYUIUCNJNYCS-KRWDZBQOSA-N 404.515 1.212 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC(OCC)C2)C1 1286799739 ZLXOKTHAUQJFAN-BQJIDLTASA-N 419.526 1.225 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1291193659 GXBUBKKZZVLENZ-SJLPKXTDSA-N 424.505 1.822 30 10 HDEE N#CCOc1ccc(CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)cc1 1292736908 SNUOQKDEDSMABI-AWEZNQCLSA-N 405.501 1.806 30 10 HDEE CCOC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1296461834 AGBAIGVAOAIDNZ-AWEZNQCLSA-N 418.523 1.813 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1296956509 ZFWLUXRWRKVKCR-GOSISDBHSA-N 406.487 1.356 30 10 HDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 1298075917 OXGYBVDXKQMDAX-UHFFFAOYSA-N 408.426 1.962 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1298390143 AQMKKSQGECKZHY-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE C#C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1299870096 WVOFMRCJGBTPTQ-SJORKVTESA-N 406.504 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(OC)c1 1300300071 WNJRHQPQHQCFOW-HNNXBMFYSA-N 407.478 1.575 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300376265 IQUFHDLJACJUSM-DYESRHJHSA-N 401.511 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1300578623 DXSPVYXKHTWPDI-SFHVURJKSA-N 414.473 1.321 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1300631028 KPYFQLDUYSKLCO-OAHLLOKOSA-N 406.483 1.836 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCS2)CC1 1300685099 GHEYJQAWPYAFSE-WIYYLYMNSA-N 419.595 1.970 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CCC)CC1 1300708560 URKLRSUXOSDVGO-NRFANRHFSA-N 424.597 1.769 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1300780303 PELYHUJMYWHDBZ-SJKOYZFVSA-N 408.553 1.694 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300800087 MIYOUEKEUAQWAX-OXQOHEQNSA-N 414.535 1.614 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1302334229 CNPSGHGIKQLMGF-YLFCFFPRSA-N 405.499 1.341 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302979033 MYNXZVZYXPTALD-UITZCYDRSA-N 421.436 1.913 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1Cc1ccc(C#N)o1 1303819242 CETDXFVQYYPWTF-GFCCVEGCSA-N 408.484 1.712 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1305157782 MJQDRPSGDGNRPI-UGKMNXKKSA-N 407.478 1.959 30 10 HDEE C=CCSc1ccccc1NC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1307388379 CROLYLSWHHDGOP-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1309773612 HWNXTYAZZABZLD-UHFFFAOYSA-N 418.334 1.904 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OCC 1309807665 VBLOCHUGISZPRQ-INIZCTEOSA-N 416.521 1.304 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 1312380546 GCFHEBCECPGGQO-KRQVXIAISA-N 416.547 1.477 30 10 HDEE CCN1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)C1 1313897730 XCXPEOKTOSZWAH-NVXWUHKLSA-N 401.540 1.704 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1314384414 OMJBEVUBTIEIFE-UHFFFAOYSA-N 413.482 1.665 30 10 HDEE COC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1315135541 AHIIJZKQNOGELY-UHFFFAOYSA-N 423.525 1.938 30 10 HDEE COCCc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 1319262277 YXNRZHRLJDECFR-MRXNPFEDSA-N 410.434 1.324 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1336436168 VCRFDSUDSPHFJU-MAUKXSAKSA-N 415.453 1.826 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(O)(Cc2ccccc2F)CC1 1343993783 HGFXBLUNUIESFI-VHEBQXMUSA-N 416.453 1.431 30 10 HDEE COC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1354286587 UCGRFRJSCHAMBL-FXBPSFAMSA-N 422.507 1.916 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 1354787390 QHURESGLWXLEKL-UHFFFAOYSA-N 409.899 1.654 30 10 HDEE COC(=O)c1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cs1 1355670033 ZQGGYKMWKHOYTR-XSFVSMFZSA-N 422.488 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCCC 1358876484 KRGKTJWKTLKIQN-AWEZNQCLSA-N 415.494 1.955 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359038036 IEFZYRWBCVFMEL-VGSWGCGISA-N 411.554 1.446 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359055062 QZUPFEUXLKSSBZ-UHFFFAOYSA-N 414.535 1.310 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359060143 LYOABCRRQMPDDI-OXQOHEQNSA-N 419.551 1.151 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(C)(=O)=O 1359240808 XSNSFWIUSXWFBS-UHFFFAOYSA-N 405.528 1.119 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359286742 PFNMARKTPKKWJV-KBPBESRZSA-N 406.487 1.145 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359326473 AXUPITUVFHGQEQ-ZIAGYGMSSA-N 404.558 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359332841 IFRCMXAHGNHTIK-LJQANCHMSA-N 409.556 1.326 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1359631285 WRRUDYUQODIUDQ-UHFFFAOYSA-N 423.521 1.681 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1360347868 OOPPIKIKMBKILQ-JXFKEZNVSA-N 407.515 1.863 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1447649585 IUOJUDKTHNFLTO-HNNXBMFYSA-N 407.341 1.943 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1454454779 GZXMOBIHLZRRJJ-OAHLLOKOSA-N 410.565 1.758 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCNC(=O)C3CCC3)CC2=O)cc1Cl 1457398921 ZBHUOFYCZBDIRU-HNNXBMFYSA-N 402.882 1.987 30 10 HDEE C=CCN1CCC(NC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1464922691 VDUGJFJXSVZWAL-KNQAVFIVSA-N 401.507 1.915 30 10 HDEE Cc1[nH]nc(I)c1C(=O)NCc1ccc(C(=O)NO)cc1 1467528271 RHCOCQVDNNOSGL-UHFFFAOYSA-N 400.176 1.372 30 10 HDEE C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1469855894 BMXBOBGXSJTMII-XMJUDNRHSA-N 413.478 1.891 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc(COC)ncc3C2)cc1 1471091609 OOXORIVIEQNKEZ-UHFFFAOYSA-N 402.476 1.286 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)C1 1471336282 KLYVHPPRDROZGD-QGZVFWFLSA-N 414.506 1.269 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CC[C@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 1472562074 PXIFDLYLAOLQSL-MRXNPFEDSA-N 412.446 1.505 30 10 HDEE C=C(C)[C@@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(F)c(F)c1 1478472034 KOLMBOOPWYEINU-XJKSGUPXSA-N 403.451 1.542 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1504610063 AQMKBOJAZPSCRS-OAHLLOKOSA-N 402.430 1.040 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(F)(F)CO1 1504886952 LFKISOQTCPGFJE-CQSZACIVSA-N 412.441 1.191 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1=O 1504910686 LJKUFIFYRVHDNC-VQIMIIECSA-N 424.505 1.537 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(C)c1ccccc1 1507673511 UYUWJDCTXIOQTK-UHFFFAOYSA-N 404.518 2.000 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(OC)CCOC2)CC1 1507727575 JKPJZQHEBDENFX-HXUWFJFHSA-N 401.536 1.491 30 10 HDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507840480 MZJJJPMNXUFVRA-OAHLLOKOSA-N 417.901 1.800 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NC2CCCCC2)C1 1508108776 LJSCDSMKFNTUGP-QGZVFWFLSA-N 418.542 1.647 30 10 HDEE CC(=O)Nc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1508284121 DDVZVWFOWRENNH-IEBWSBKVSA-N 410.478 1.712 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1508423122 ZFFDBZFNQNTNSY-ZDUSSCGKSA-N 401.471 1.470 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccn(C)n2)CCOC1 1509819343 ULSUWMRVVVQZOY-XLIONFOSSA-N 415.498 1.024 30 10 HDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nccs1 1514719736 LZOCLKMNYDXYFH-UHFFFAOYSA-N 419.528 1.763 30 10 HDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H](C)O1 1518947539 XCEYPZHCTKBZHY-QAPCUYQASA-N 413.478 1.494 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1539407623 JDRWYXOQBUBDOX-IBGZPJMESA-N 412.538 1.927 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)C1CC1 1539569630 GCFWSBXIKISTPH-XGHQBKJUSA-N 401.511 1.520 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539634627 CASSMAHVTMPZCS-YJBOKZPZSA-N 411.572 1.682 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1539751904 XBMVECGBXUQNCI-OAHLLOKOSA-N 401.533 1.050 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539760151 WEXQFNDLFKKCGX-OWCLPIDISA-N 400.545 1.980 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540012991 GTZVABYQXWPWKQ-ZWKOTPCHSA-N 402.543 1.524 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1540523040 RURZWUFEVKXGIG-OAQYLSRUSA-N 415.494 1.628 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540868741 PRDZFTRHAHIGIT-UHFFFAOYSA-N 420.477 1.070 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nncn2C)C1 1540894451 XYEFAAQNENEBMZ-QGZVFWFLSA-N 409.494 1.836 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COc3c(cccc3OC)C2)s1 1542875724 RJVBHVCXECQCAX-AWEZNQCLSA-N 422.528 1.883 30 10 HDEE CN(C)CCOCCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552871260 NCBVKYAEGMMYEG-FQEVSTJZSA-N 409.538 1.700 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCn2cncn2)cc1 1555990262 AQUQIZUEFFRPRX-UHFFFAOYSA-N 408.466 1.229 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(CCC(N)=O)CC3)n2CC2(O)CC2)cc1 1555991504 PNUMNTXZNOQMQS-UHFFFAOYSA-N 424.505 1.736 30 10 HDEE C=CCC[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OCC 1556642736 VMSHVDWORWHQQL-CYBMUJFWSA-N 402.444 1.038 30 10 HDEE C[C@H](CC(=O)N1CCO[C@@H](C(F)F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1557887010 XVMTVMJAQICONL-DGCLKSJQSA-N 401.435 1.386 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 1558328550 ALCUAGWWHSRIPE-INIZCTEOSA-N 416.526 1.678 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1558603957 DOLNWCRSMHEERH-CJNGLKHVSA-N 405.501 1.887 30 10 HDEE C=CCn1ncc2ccc(NC(=O)Cn3cc(Br)c(O)nc3=O)cc21 1558615619 YIIVGXVESBJKMC-UHFFFAOYSA-N 404.224 1.886 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CC)CC1)c1ccc(Br)cc1 1564999956 QUGQMDKMOQXMPT-OAHLLOKOSA-N 414.325 1.800 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1569128112 GRUODESQQHYYRY-UHFFFAOYSA-N 415.534 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1587639133 KJKCRHQGJCWAHH-JYJNAYRXSA-N 409.556 1.191 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1588138726 HQIINRUTJOPWOR-OAHLLOKOSA-N 413.503 1.168 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccccc2F)CC1 1588856928 FHFJGIPORDYBKU-UHFFFAOYSA-N 410.497 1.555 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cccn(CC)c2=O)CC1 1588857774 SKFNJFMVTVQKND-UHFFFAOYSA-N 408.550 1.996 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1589109586 GQSFVXCRFXTCHT-SFHVURJKSA-N 424.530 1.810 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCC1(O)CCOCC1 1589164142 RJCUCFYYPIXUQA-IFMALSPDSA-N 418.538 1.854 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1589530873 YWGJRBJUKUZQHH-SQNIBIBYSA-N 418.542 1.615 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1593691181 UBEQCOVVRMTGQX-OTWHNJEPSA-N 416.526 1.989 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594924088 ZKCICMLHCSCQIW-FQEVSTJZSA-N 413.503 1.665 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCCO2)nnc1[C@]1(OCC)CCOC1 1595595432 UQHJLNNGKMVEEM-UZLBHIALSA-N 407.515 1.238 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705322 QQAMJNTVASVVBD-UZUQRXQVSA-N 418.453 1.617 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1OCC[C@H]1C 1611672873 AWVGGHDFMBZMOA-IJEWVQPXSA-N 410.544 1.443 30 10 HDEE Cn1cc([C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C2)cn1 1618404062 BFQRAXPHKSAACA-IBGZPJMESA-N 421.505 1.943 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCOCC1 1619390741 FZYUBVOAEWOYRV-LJQANCHMSA-N 401.442 1.937 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)COCCO1 1619987905 CQEIGMWVLCVWSY-OXJNMPFZSA-N 407.515 1.938 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OCC 1625184433 QKAZWUJUFGCPOJ-MRXNPFEDSA-N 411.524 1.827 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)c1cc[nH]n1 1627250635 YITLTRSOCZUXTM-UHFFFAOYSA-N 424.404 1.946 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](C#N)C1 1630595208 IBWWSVYOPWALJQ-ZENOOKHLSA-N 411.911 1.682 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@]23CCOC3)C1 1633905584 MTNQSDYFLVZLNR-GOSISDBHSA-N 406.280 1.775 30 10 HDEE C[C@@](O)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 1635213420 XNTANNLTDPWCCO-HXUWFJFHSA-N 419.478 1.668 30 10 HDEE C=C[C@@](C)(O)CC(=O)NC[C@H](O)COc1ccc(I)cc1 1635846614 HEBQLGVJCHKGTO-SWLSCSKDSA-N 405.232 1.474 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1 1636031190 RGFZIDDVJSPERX-QZTJIDSGSA-N 409.529 1.665 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1637697826 XTMWIVYZTWZODH-ZFWWWQNUSA-N 408.401 1.821 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(F)c(F)c2)c1=O 1641326212 YAVUUWFOCAKUEH-UHFFFAOYSA-N 420.372 1.140 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1643335731 SNBGOKSWHJBOSG-GXNBUGAJSA-N 409.483 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CC[C@@](O)(CC#N)C3)CCC2)C1 1643609554 NPTHBMFIHDTRSD-FPOVZHCZSA-N 407.511 1.796 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1644262671 HOCLZOFEPLVXTN-GOSISDBHSA-N 424.505 1.534 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 1644638657 WWISLPVBDARCES-GXTWGEPZSA-N 418.291 1.647 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC(C)(C)CNS(N)(=O)=O)s1 1644767711 GXMGDSPUIXBZSJ-UHFFFAOYSA-N 412.990 1.527 30 10 HDEE CC1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCS1(=O)=O 1645875560 RTVURSKGJKUEQB-NSHDSACASA-N 402.469 1.209 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1648719391 MADLAILWRNSLJB-KKSFZXQISA-N 423.498 1.704 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)cc1 1649676897 AXAGEIMVBTUOKR-UGKGYDQZSA-N 411.506 1.962 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(F)cc3F)CC[C@@H]2C)C1=O 1652610135 LGTKEMFSXSPDNQ-ZDUSSCGKSA-N 420.416 1.369 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1659142292 GWODFPCIDFOYTA-KRWDZBQOSA-N 417.554 1.911 30 10 HDEE COc1nc(C)cc(C)c1CN(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1659578313 AKAYPVBCGZHHGY-UHFFFAOYSA-N 412.494 1.656 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1660652316 WCXMXFBVXAXJSR-UXLLHSPISA-N 418.437 1.739 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1663081072 RENOQYVQEVUSRA-JTQLQIEISA-N 419.297 1.992 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1677071804 QVNGHMMGUQZJLH-UHFFFAOYSA-N 421.519 1.862 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@H]1CCCO1 1677846166 YLCBXMCOHSMDSQ-GOEBONIOSA-N 421.400 1.990 30 10 HDEE Cn1cc(CNC(=O)NCc2ncc3c(n2)CCOC3)c(-c2ccc(C#N)cc2)n1 1680014087 NOEIJQWJZVRHHZ-UHFFFAOYSA-N 403.446 1.821 30 10 HDEE C=CCC[C@@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1681179379 YVCKNUYIEZAOEI-HNNXBMFYSA-N 422.530 1.800 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1686962377 FMBVFVYLBKCSMX-QGZVFWFLSA-N 406.439 1.220 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1689965923 GXNBZTVMQTWHJG-QGZVFWFLSA-N 410.540 1.083 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1689980927 ZQTDGIIQIJEEJI-SFHVURJKSA-N 402.520 1.489 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1690992892 BGRGGSPVVRUXBI-INIZCTEOSA-N 419.493 1.739 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1690995720 MOCIGCKVODCCHA-JXFKEZNVSA-N 420.514 1.757 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCCC2=O)CC1=O 1696879928 ASVOWVAEXPKFPI-UHFFFAOYSA-N 421.505 1.498 30 10 HDEE COCCCOC1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1698011665 KLITWXBTVYHJLK-HNENSFHCSA-N 418.498 1.135 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CC=CCO2)cc1 1698488534 DMPSUBAVRYYYNS-FUHWJXTLSA-N 408.462 1.385 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1698490458 VOSWRNVPOSENSD-MRXNPFEDSA-N 400.487 1.086 30 10 HDEE CC(C)C#CC(=O)NC[C@H]1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CO1 1701405417 XRSGBOUSFFXENV-KKEPMVJESA-N 400.519 1.583 30 10 HDEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705525939 AAPADTRVXZBXCM-INIZCTEOSA-N 419.432 1.911 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)[C@@H](C)CCC 1705581265 XLSYJLZNECMBTB-INIZCTEOSA-N 424.505 1.631 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1705612145 AKVRTMYGVHXGEX-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1705612353 FMEXZIJOELXXGS-QGZVFWFLSA-N 418.567 1.849 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)CCC)CC1 1705649706 FCAYDERIZPJNMT-QHCPKHFHSA-N 424.549 1.781 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705652882 QLOZLEHGYYQLDK-MRXNPFEDSA-N 416.551 1.082 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705706257 RKICDFBVYCWOEF-FUHWJXTLSA-N 409.556 1.293 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705900340 ZMCQXMNXUSTFCM-HNNXBMFYSA-N 418.523 1.046 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COCCO2)C1 1705916178 ZTNGCIBKGOCSPA-IAGOWNOFSA-N 407.515 1.393 30 10 HDEE CC1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706947845 FWCBNWYQXCUANY-ZFDMEJTGSA-N 400.483 1.687 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCCO1 1708234123 HQSHRMFMKLIWPX-INIZCTEOSA-N 412.494 1.822 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)(F)C(F)F)cn1 1711251361 FVTSZGWIRBFUBI-GFCCVEGCSA-N 417.367 1.324 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](n2cncn2)C1 1722322251 QKGYZAJDOXVZJE-INIZCTEOSA-N 405.466 1.772 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOC1=O 1722383787 JGUOTUCYXCPBPU-IBGZPJMESA-N 421.457 1.706 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC[C@H](CO)O1 1722384065 PJWKKNJDBIPTTM-JKSUJKDBSA-N 400.429 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCS2)CC1 1722433450 VTWRDDHKJCBGQI-NQIIRXRSSA-N 419.595 1.971 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC[C@H](C)C2)CC1 1722439597 ILBBWYBBAGSRDK-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722456421 ZEYHOSRHZFKKSF-CQSZACIVSA-N 408.553 1.158 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722458835 UYPYGZNATXFFDA-HNNXBMFYSA-N 402.568 1.311 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1COCCO1 1722673791 DSBAXLHQWSLYOJ-SFHVURJKSA-N 415.494 1.644 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722683016 XXDIOLSKBXUKGX-HUUCEWRRSA-N 413.544 1.096 30 10 HDEE CCOCc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1729023720 HYRHWBXKEJPHKU-UHFFFAOYSA-N 422.511 1.188 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1730762648 IOZSUZDWANDOOV-SFHVURJKSA-N 422.493 1.982 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)c1 1731180295 GXRYGFVMMJZDDS-AZUAARDMSA-N 422.489 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1740532667 KDMCYWWDOGFKRC-HOTGVXAUSA-N 424.571 1.139 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1740574957 PDMZKKAWUBPSEK-MRXNPFEDSA-N 404.540 1.662 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740588785 GSPVNLZUYPUVOQ-SFHVURJKSA-N 410.526 1.088 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740608625 CCVWNYOSLXIFLC-SJORKVTESA-N 407.584 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)c1ccccc1 1740641728 FFGAZAVQQNAOAX-UHFFFAOYSA-N 419.510 1.811 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740693706 IXCBUFCRJQRPDS-OAQYLSRUSA-N 423.565 1.452 30 10 HDEE C#CCSCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)C1 1740710971 FQEATBGWAPQLME-UHFFFAOYSA-N 407.446 1.849 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@@H]1C 1744696235 BKXXTEHUCRCPQU-QYWGDWMGSA-N 410.526 1.768 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1746683934 HUBQIUPQLSVSEQ-LEWJYISDSA-N 416.526 1.539 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1748670857 CYWSGAZAOYXODS-INIZCTEOSA-N 424.553 1.682 30 10 HDEE C#CCN(c1nnc(C)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805482 SHBSOYLLCNDPCY-QGZVFWFLSA-N 401.492 1.242 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCOC1 1748898623 MQMBTEDWAJXGJR-HSZRJFAPSA-N 403.486 1.965 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1748927545 SPKAIIMAYOKUEF-LJQANCHMSA-N 403.490 1.982 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@H]2COCCO2)CC1 1748979933 SWAITGHEJQGLQZ-FQEVSTJZSA-N 411.506 1.514 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC(C)CC2)CC1 1748991241 UFYDHPBHYDSHSP-OALUTQOASA-N 413.570 1.105 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749211150 UNAIFTGXQJRKNP-INIZCTEOSA-N 404.515 1.164 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1749599863 NEKAGQZRJFEMHN-KRWDZBQOSA-N 420.535 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)NC)CC1 1749659382 ATFUEKMCBIPEGV-UHFFFAOYSA-N 421.505 1.471 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)Cc1cnn(C)c1 1749659464 CYFAETRDGNPEGC-UHFFFAOYSA-N 423.477 1.736 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(O)(C(F)(F)F)CC1 1749664536 QUAZOTONUSYPST-UHFFFAOYSA-N 412.416 1.479 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(OC)CCOC1 1750134517 TWKHINBXSSFFIZ-ABSDTBQOSA-N 405.499 1.548 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1cccs1 1751911759 PRIWUOHMFCAQQV-UHFFFAOYSA-N 409.475 1.613 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760144504 RNXUZZIJUVGFNB-SFHVURJKSA-N 423.521 1.497 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760152029 CJGSHEBSQVYPED-UHFFFAOYSA-N 422.537 1.283 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCc2ccccc2)CC1 1760259351 AIELGEFZVQBJEI-LJQANCHMSA-N 408.506 1.201 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@H]1C 1760284728 QQKARORROPJFMD-CQSZACIVSA-N 405.549 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1CCNS(=O)(=O)Cc1ccon1 1760294398 VRLRDMDSAZWUCW-LJQANCHMSA-N 418.523 1.645 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760345901 YQTROBLAJHIRMI-DFQSSKMNSA-N 416.570 1.737 30 10 HDEE CCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1764647053 MQCNIIXIPBQJSP-AWEZNQCLSA-N 401.496 1.310 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnc2C)CCOC1 1765878864 AIMGYIPHJFVKGD-WOJBJXKFSA-N 417.489 1.967 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCOC 1767574003 CQTQMNKZEOJCEX-VFNWGFHPSA-N 414.510 1.423 30 10 HDEE CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C1CC1 1767986978 HYRPVGXMTBJTKF-IFXJQAMLSA-N 424.571 1.833 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1771493215 LFCNNLLYVBGIAE-OFGXNVERSA-N 411.441 1.661 30 10 HDEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NC(C)C 1772789941 MWLJOQZKIURDCC-UHFFFAOYSA-N 418.427 1.750 30 10 HDEE N#CCS(=O)(=O)N1CCCc2nc(Br)cc(N3CCOCC3)c21 1849209432 MNJUJIWGNIKXQW-UHFFFAOYSA-N 401.286 1.287 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCC#CCN1CCc2ccccc2C1 1850275134 XELZXHLRTFBPAT-LJQANCHMSA-N 408.527 1.767 30 10 HDEE CN(C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)c1ncccc1C#N 1851613564 KDOUOPQLPWALLN-SFHVURJKSA-N 404.536 1.985 30 10 HDEE Cn1c(=O)ccn(C2CCN(C(=O)C3CCN(c4ccc(C#N)cc4)CC3)CC2)c1=O 1851693522 SSMCQEWXNBPKTD-UHFFFAOYSA-N 421.501 1.499 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)c(Cl)c1 1852099249 YAULJZVFXZBASR-INIZCTEOSA-N 416.909 1.888 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3cc4n(n3)CCC[C@H]4N3CCOCC3)CO2)nc1 1852607580 VBZVEGLAMBQMHU-FUHWJXTLSA-N 424.461 1.294 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C(=O)C2)C1 1853741258 LAVDRFIDUPAHRY-VQIMIIECSA-N 414.481 1.110 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(CC(F)(F)F)CC3)CC2=O)cc1 1854158884 WPKTZCFPVCDHEU-QGZVFWFLSA-N 408.424 1.656 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1C1C(=O)CC(C)(C)CC1=O 1854904422 AQWXIKCIHDMAMB-OAHLLOKOSA-N 409.486 1.877 30 10 HDEE C=CCC[C@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1 1855297785 SKSMHGRXGWNVLC-QWHCGFSZSA-N 410.448 1.582 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2ccc(N3CCOCC3)nn2)C1 1855463006 CIXVXYBNENDYLJ-ZWKOTPCHSA-N 413.522 1.733 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1855605943 JTMVMJSMSPAATK-HKUYNNGSSA-N 400.523 1.921 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@H](N2CCN(c3ccc(OCC)nn3)CC2)C1=O 1855752733 FKRIQFPANJAASU-SJORKVTESA-N 401.511 1.727 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H](C)CCC#N)CC1=O)n1nc(-c2ccccc2)ccc1=O 1856387678 KIEWUIMQQDMGSN-SJORKVTESA-N 407.474 1.834 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cccc(F)c1 1856987036 WDTZCICXGUQNPW-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N2CCC(CC#N)CC2)C1=O)n1nnc2ccccc2c1=O 1857380467 SHYCMJNMGJLCCT-KBXCAEBGSA-N 408.462 1.106 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)NCCN3CCOCC3)c3ccccn23)c1 1858242405 ZJCNXVPKEZXYQW-UHFFFAOYSA-N 418.457 1.520 30 10 HDEE Cc1cc(O)nc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859428352 WLINNHTZYSLVAC-HNNXBMFYSA-N 405.462 1.376 30 10 HDEE C=CCNC(=O)[C@@H](CCCC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516769 OQHWAJPMGJYRJL-GOSISDBHSA-N 415.490 1.910 30 10 HDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc1F 1870110412 PUAIIGKATDVREU-UHFFFAOYSA-N 408.393 1.714 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O 1870139304 JMNIIYKDUOALOR-UHFFFAOYSA-N 417.341 1.525 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CSc1nnnn1C 1870282527 IXDHVBDJZTWXIK-UHFFFAOYSA-N 413.463 1.263 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCCO 1870543954 FNVZUZZRXAXNMX-IBGZPJMESA-N 419.522 1.079 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn4ccc(C)cc4n3)CC2)CC1 1889383895 WJFVWGLPHDDHOM-UHFFFAOYSA-N 423.561 1.905 30 10 HDEE CN(CC1CCN(C(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)CC1)c1ncccc1C#N 1891658666 ZXZRPMKOASULHI-UHFFFAOYSA-N 410.434 1.549 30 10 HDEE C=C(Br)CS(=O)(=O)N=c1cnc(I)c[nH]1 1928178970 KZLGIEGCEVVQIY-UHFFFAOYSA-N 404.027 1.153 30 10 HDEE C[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243418673 ITNVWECETLSMGG-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247823961 SQNUGTVIWPAHSP-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247830049 XCGWKJNNPPZKQD-RYUDHWBXSA-N 418.303 1.304 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2269030620 KONROLSKQVMREM-SECBINFHSA-N 407.706 1.548 30 10 HDEE CCS(=O)(=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2269036762 GCGVNNORTSFUKI-UHFFFAOYSA-N 409.722 1.267 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270526681 LBCDSCSYNDMOAF-MSOLQXFVSA-N 422.503 1.868 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282027146 MIAFIIBNOLCOAF-JTQLQIEISA-N 402.347 1.304 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2CC(N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305363 XVSARBHMRWLZSX-UHFFFAOYSA-N 400.375 1.761 30 10 HDEE CC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342440 HOBRGLKPPXRJCO-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE C[C@H]1CNC[C@@H](C)[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346451 VQRWSXIVHQMYOA-JYAVWHMHSA-N 400.375 1.570 30 10 HDEE C=C(CS(=O)(=O)N=[S@](=O)(C(C)C)[C@@H]1CCNC1)B1OC(C)(C)C(C)(C)O1 2282488971 BFRCWLNCGWNPGN-PTFIGZPYSA-N 406.379 1.742 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3C[C@@H]3CN)c(Cl)c2)OC1(C)C 2282496899 JDAAGUXADIKPNT-RNCFNFMXSA-N 421.155 1.918 30 10 HDEE COC[C@H]1CC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501370 WGQDXCKURMDJNF-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](O)C1 2282835424 UQQSLDISHCKUGU-YPMHNXCESA-N 401.359 1.747 30 10 HDEE C[C@H]1CO[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838548 PZLGVILGWKYKQG-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2282847934 GXBHCNFNGUHZNM-LLVKDONJSA-N 403.331 1.825 30 10 HDEE C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848356 MPVQETGSWMDZFQ-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@]3(C)CO)ccc2Cl)OC1(C)C 2282871704 KXQHEPFUFJVJLA-QGZVFWFLSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCOCC(F)F)OC1(C)C 2282876753 IHKCDBCCTRPNNJ-UHFFFAOYSA-N 411.301 1.748 30 10 HDEE CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284406211 VKQIWYSKHHPMJR-LLVKDONJSA-N 403.331 1.921 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2290404810 MTNHVASVMNCRGU-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc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c1ccc(C(F)F)nc1 2365761198 ZITQAGYFOACOPA-KBPBESRZSA-N 404.435 1.670 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2370294151 IHMRLYSUUDLXIF-IHRRRGAJSA-N 400.412 1.827 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5830062 ZZOWHLLRRDPLBE-OAHLLOKOSA-N 415.471 1.985 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1 47857481 RMHJSTRLFUTWJE-FQEVSTJZSA-N 418.545 1.981 30 10 HDEE O=C(Cn1cnc2ccccc2c1=O)NCC#Cc1ccc(N2CCOC2=O)cc1 96349633 SXUVRQQOSNCIJK-UHFFFAOYSA-N 402.410 1.521 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 105361789 UFOMROSYABOYGY-AWEZNQCLSA-N 400.439 1.626 30 10 HDEE Cc1c(CN2CCN(C(=O)ON3C(=O)CCC3=O)CC2)cccc1N1CCOCC1 145687834 VCVZYOKIROOPSJ-UHFFFAOYSA-N 416.478 1.150 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 238870609 MURFKFAUBVTCCV-YOEHRIQHSA-N 409.421 1.910 30 10 HDEE CN(C)C(=O)CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253576965 WMOMRGUXYZLBPI-OVCLIPMQSA-N 408.400 1.638 30 10 HDEE COc1cc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)ccc1OC(C)=O 254821932 RARNPXZLAFLABS-UHFFFAOYSA-N 417.443 1.398 30 10 HDEE CCN1CCN(Cc2ccccc2CNc2ccc(S(N)(=O)=O)cc2C#N)CC1 301500527 DOJRBJRQERGQEQ-UHFFFAOYSA-N 413.547 1.955 30 10 HDEE N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ccc1[N+](=O)[O-] 302686330 BCZHBBSBSZLUJM-UHFFFAOYSA-N 409.374 1.651 30 10 HDEE C[C@H](C(=O)NCCc1ccc(I)s1)n1cnc(C#N)n1 409634780 YJWNJHUEXSMOLY-MRVPVSSYSA-N 401.233 1.736 30 10 HDEE CCOC(=O)c1sc2ccsc2c1CNS(=O)(=O)N1CCO[C@@H](C#N)C1 410198253 ISFWIYVZIQJOPV-JTQLQIEISA-N 415.518 1.698 30 10 HDEE N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 431052378 WOOCYTQWCBEOQB-UHFFFAOYSA-N 407.452 1.305 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 464415818 BPNZUNPVQMROAH-OAHLLOKOSA-N 420.535 1.320 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(CO)nnc3C2)n(-c2cccc(F)c2)c1C 471034009 CLEMUMXQDWNVNC-UHFFFAOYSA-N 423.452 1.643 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 471698979 YHCVHISVLNHOIL-UHFFFAOYSA-N 401.492 1.356 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)nc1 474344424 JRLIEZGHGMWSJK-UHFFFAOYSA-N 420.469 1.523 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479076270 YOAWZRSTAHIWOW-JKSUJKDBSA-N 423.491 1.061 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487207752 YOMYAWAJOSJRDC-MRXNPFEDSA-N 410.434 1.391 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)ccc1F 488724460 JZNVFLXIFOPCRY-CQSZACIVSA-N 401.510 1.336 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505265174 PEKSQCKAAOFLTG-CQSZACIVSA-N 414.462 1.459 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505747936 PVKQCUOBKSAYJT-VGSWGCGISA-N 420.554 1.793 30 10 HDEE CC(C)CN(C(=O)CN1CCC(C)(C#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 506013195 RQFDZHVLBZLKGM-UHFFFAOYSA-N 418.542 1.802 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508800826 IECBEYIHJSBOMI-UHFFFAOYSA-N 423.477 1.735 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 508826832 OQFCNZJWDJOCIX-OAHLLOKOSA-N 403.487 1.313 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 508944133 BHWKLDRJOILHCO-UHFFFAOYSA-N 405.466 1.982 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)CC2)n1 510349025 RPWSJNBQIYVUBO-GOSISDBHSA-N 411.510 1.465 30 10 HDEE CC[C@@H]1C[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 513724322 JVTABNIXHQXKRO-SJLPKXTDSA-N 405.520 1.986 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)cc2C1=O 524417642 JSJJNLJRBLJXRU-SFHVURJKSA-N 412.490 1.141 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CCN3CCOCC3)cc21 526895789 HVSPEFHZNBODIA-HBIPHATFSA-N 406.504 1.250 30 10 HDEE C[C@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 539999609 SJRHSYXMXZFOOA-JKSUJKDBSA-N 406.508 1.389 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)C(C)(C)C1 549281026 UZCXZTWIYCEFDH-UHFFFAOYSA-N 423.564 1.859 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 553980797 VTUHQBOSPPJSNK-RBUKOAKNSA-N 404.470 1.683 30 10 HDEE C=C(C)[C@H](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)OCC 559240413 JASFHGQHVPQIDR-PXNSSMCTSA-N 417.554 1.321 30 10 HDEE C=CCN(CC=C)C(=O)NC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 586096233 MKNKKCQUCIZQCK-UHFFFAOYSA-N 410.474 1.657 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccco2)c1=O 603798326 ZBLVEKBNCXTGOU-UHFFFAOYSA-N 405.479 1.926 30 10 HDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)cc1 609676178 PDNBGAJLFUFSPS-SFHVURJKSA-N 403.435 1.785 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 611224960 HBGVSVBKBHVQKD-QGZVFWFLSA-N 411.462 1.566 30 10 HDEE Cn1cc(C#N)c(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)n1 703976742 PLIMZQIHOGEPKB-UHFFFAOYSA-N 401.448 1.356 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C 729670442 SAGSYGOUKSCYAT-UHFFFAOYSA-N 416.462 1.489 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC[C@@H]2CCCO2)c1 732706955 SFZKNWRHORAZSB-ROUUACIJSA-N 412.490 1.690 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C1CCS(=O)(=O)CC1 733021232 FNPMPNGJERMUMB-AWEZNQCLSA-N 408.476 1.698 30 10 HDEE CS(=O)(=O)[C@H]1CCCC1=NNc1ccc(S(=O)(=O)NC2CCCC2)cn1 741459806 IORCLWUSFNKGSE-HNNXBMFYSA-N 400.526 1.668 30 10 HDEE C[C@@H](CC(=O)NCc1ccc(CO)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 743320395 YGGFJMJRZIIMLB-LBPRGKRZSA-N 405.451 1.452 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757596222 VDMDAOUDYGPGJN-LJISPDSOSA-N 410.540 1.809 30 10 HDEE Cc1cc(S(C)(=O)=O)cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1C 759170651 FPAMIASDLZBWJN-UHFFFAOYSA-N 406.485 1.838 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(C(=O)NCC)C3)ccc2c1=O 760927293 WRXCHULVPDOXSY-ZDUSSCGKSA-N 401.492 1.405 30 10 HDEE CC[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)F 766039455 PCNQQDKOQMNABJ-CYBMUJFWSA-N 414.478 1.303 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(Cc3cc(Cl)ccc3OCC#N)CC2)cn1C 766190226 CQKXMLQWFXSRDX-UHFFFAOYSA-N 423.926 1.791 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1 777294447 KUZRNFCCUICTJI-CQSZACIVSA-N 419.484 1.880 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 781846484 VOOLDQZQFLCCFX-OXJNMPFZSA-N 422.503 1.075 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(F)c1 789890666 SWESRSGFDASYDR-JONULYECSA-N 403.410 1.637 30 10 HDEE CCOC(=O)CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 790360727 MRRGWQNBPFADDG-UHFFFAOYSA-N 407.492 1.497 30 10 HDEE C[C@@H](C(=O)O[C@H](C)C(=O)N1CCN(c2ccc(F)cc2)CC1)n1cnc(C#N)n1 798744066 HIAKFANKMJXFHV-UONOGXRCSA-N 400.414 1.130 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 799770547 BPALKAAVJXBKDV-YIYXVTKBSA-N 408.458 1.854 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1 803699578 IFHAYLHLEGDUNF-UHFFFAOYSA-N 406.460 1.090 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)c1O 1084322945 GBOUBAGNOWQNOE-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE C=CCCOCC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1141739891 PPZVTRNBNOZHOZ-UHFFFAOYSA-N 400.522 1.587 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1F 1157232812 GBQCWCFLQZMWDG-QMMMGPOBSA-N 421.376 1.918 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2nc3c(s2)COCC3)cc1 1157375229 UXFZOPDUCMGRAV-UHFFFAOYSA-N 405.501 1.361 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1159047909 SEFYICYXILTOFF-ZIAGYGMSSA-N 409.508 1.630 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1163462070 NPULPKUMDNMWRZ-ZWKOTPCHSA-N 421.519 1.319 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)C2)c1 1168642358 JVPXFZPSAXAMIB-UHFFFAOYSA-N 406.414 1.438 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 1168767058 YJUGOKWNRZLMGL-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@@]1(O)CCN(Cc2ccccc2)C1 1196575196 RRPVTJLHHPLAHK-VWLOTQADSA-N 417.509 1.855 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1251120192 BWOHGRMIGZRVTH-JKSUJKDBSA-N 412.537 1.525 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286393998 SNYDAIKORKKRNY-GOSISDBHSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnccc1OC 1286400754 KPWUYIMVLSGKIK-QFIPXVFZSA-N 409.490 1.843 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCCn2cnnn2)CC1 1286475675 GDOOFZGYMSUISE-UHFFFAOYSA-N 411.901 1.431 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286687189 MJFGCGRVJMOFTJ-MRXNPFEDSA-N 410.482 1.564 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1286753687 GYXLXBOHCFTIOP-CHWSQXEVSA-N 405.471 1.491 30 10 HDEE CC(C)C(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1287138910 MFGNWZATIGEVQK-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(Br)cc1C#N 1288953084 QZAUACDGHZYGOW-UHFFFAOYSA-N 408.299 1.108 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1291159550 QHVFRRDCELGIBM-OFGXNVERSA-N 410.482 1.440 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H](S(C)(=O)=O)C2)s1 1293690285 GPKGAYILDQAWNJ-JSGCOSHPSA-N 420.578 1.227 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1296130334 FAHVYHUPEKXAQU-QUCCMNQESA-N 415.586 1.938 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)C1CCCC1 1299206705 PWQLBQSPQDIISC-GKUQOKNUSA-N 411.499 1.479 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1c(F)cc(C#N)cc1F 1299863781 OOHQMCFQWFUSHC-UHFFFAOYSA-N 424.385 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1300321392 LQJNMNJSCABQMF-DJJJIMSYSA-N 400.508 1.206 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300382679 ZAUCOXSAOOXPCC-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1300464384 CIGSHRGHKPFTSN-MRXNPFEDSA-N 415.498 1.438 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1300527401 HCNNRRSVDSEYIC-GDLZYMKVSA-N 413.503 1.380 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1300529088 DTRWUGLQBXCQGK-KRWDZBQOSA-N 404.478 1.152 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301141377 LQJMXGWSGNYODR-KRWDZBQOSA-N 408.506 1.694 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1301150928 DRIHHHRUBSDONO-HUUCEWRRSA-N 409.556 1.497 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301510659 ZLMMVCMXBPGRBC-QHCPKHFHSA-N 422.533 1.472 30 10 HDEE CN1CCN(C)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1304072364 METFYOLBZGGOAS-DKTYTTGXSA-N 419.570 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H](CO)c1ncc[nH]1 1304129502 KZFWXXNHSFYGMM-IRXDYDNUSA-N 411.462 1.965 30 10 HDEE Cc1ccc(N(C(=O)CN2CCO[C@@](C)(C#N)C2)[C@H]2C=CS(=O)(=O)C2)cc1C 1308113674 GIPGOMAXABPPTG-ICSRJNTNSA-N 403.504 1.562 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)nn1 1309605374 OCGCQISXPGIMQQ-UHFFFAOYSA-N 402.230 1.613 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 1309700937 GGMUZSAZWBSRHC-RDJZCZTQSA-N 407.492 1.397 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1 1311720199 AOXUWNFUBZARHS-HOTGVXAUSA-N 412.494 1.713 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 1351735137 FWDGYXLKQGWQKP-HNNXBMFYSA-N 409.450 1.004 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(=O)N2CCCC2)CC1 1353347492 LQNPOJAUWDMQTO-UHFFFAOYSA-N 419.323 1.630 30 10 HDEE CC(=O)N1CCC[C@@H](COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1357580704 RDMSQJQNJRNDSN-AEFFLSMTSA-N 412.446 1.565 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1358913775 YFPPFMVNUVSWCN-HOTGVXAUSA-N 408.528 1.010 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1358955682 QXMLMJMGDXZBJI-IAGOWNOFSA-N 422.551 1.571 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358960382 CZUKUDVTWFBDQB-BPQIPLTHSA-N 415.519 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1358981217 BDNIXXGRIPVSQV-AUSIDOKSSA-N 410.566 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1snnc1C 1358984415 UCPBNDLXOFZQMY-UHFFFAOYSA-N 406.475 1.597 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@@H]1OC 1358997323 OGGWCCUHCVGMJQ-PMACEKPBSA-N 410.522 1.654 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCN(CC)CC1 1359024113 FJZHNQYJZFEFML-UXHICEINSA-N 418.586 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1359031484 DKQFNDRUFMKSRN-UHFFFAOYSA-N 400.490 1.662 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ccn(C)n2)CC1 1359043248 NGQICQZRNJNDSH-UHFFFAOYSA-N 421.480 1.832 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359215465 BZSWTTMQUFRLIN-INIZCTEOSA-N 417.514 1.600 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359288033 QXBVGOIMXBJTLN-ZDUSSCGKSA-N 411.478 1.803 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 1359289105 CGDIIJARNYYQOR-UHFFFAOYSA-N 413.478 1.968 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccc(F)cc1 1359297741 AMOQQIFYSJNDKR-UHFFFAOYSA-N 411.441 1.692 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCSC(C)(C)C1 1359332835 ICCMKCPVALTSRJ-CQSZACIVSA-N 400.570 1.715 30 10 HDEE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1439786812 GHSZXQAFOTZESB-PHDIDXHHSA-N 423.220 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CCN(CC#N)CC3)CCC2)C1 1444348817 GCFYCKFQOHOWJU-OAQYLSRUSA-N 406.527 1.586 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CN(C)CCN1C 1444414876 QCNAARZLLRCPLE-JXVYBAEKSA-N 419.570 1.524 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Oc3ccccc3)C(=O)OC)cc2C1=O 1455278635 QIQULTDFJIPVQM-GOSISDBHSA-N 408.410 1.819 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3nc(C4CC4)nc(O)c3C2)cc1 1455389153 SMTMMVHWAZRDPR-UHFFFAOYSA-N 400.460 1.680 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 1455705179 OHNGXKLDULIVPQ-SJORKVTESA-N 409.577 1.671 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncccn2)C1 1455864562 GEFFRTXGRQNULB-OAHLLOKOSA-N 413.503 1.702 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)nc1 1456061300 KREMNZMPKFXMTC-KBXCAEBGSA-N 412.475 1.086 30 10 HDEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1461838355 PKVTUXZYBLBCMK-OAQYLSRUSA-N 413.478 1.721 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1Cc1ccc(F)cc1 1463163815 QAUMDASYRBWMRK-IFXJQAMLSA-N 417.466 1.038 30 10 HDEE Cc1ccc(F)c(Br)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463170048 RVHHXSJGWJERIF-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE CC[C@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cs1)C(N)=O 1464746434 CGUWXQOOQLGYPW-CABCVRRESA-N 409.581 1.734 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)CNc2ccc(C#N)cn2)s1 1464946989 FKHJNYKUIOEXKB-UHFFFAOYSA-N 421.548 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)C1 1471789880 TVXQTBBKXDVTDV-LAUBAEHRSA-N 401.463 1.830 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1472486330 MHXRXTYROSLIPC-IRXDYDNUSA-N 420.535 1.287 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1478729203 JGOGZVGFUKXKKH-YZVOILCLSA-N 406.483 1.232 30 10 HDEE Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1492789934 NTSNPQUQRAGPHY-QZTJIDSGSA-N 406.556 1.921 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1503415150 KFKNMGWEOOWCKH-FVQHAEBGSA-N 400.508 1.601 30 10 HDEE CO[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503939985 KLBJFGGNOBRJON-AWEZNQCLSA-N 405.462 1.834 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1504525675 BJFVVTPYABRVHH-GBESFXJTSA-N 424.505 1.789 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1504853557 FPWAZKLCJUIOQR-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1505072435 FVLQXFNELVRFDF-CURYNPBISA-N 419.526 1.672 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1507557143 OOHHPRXEUGLECB-KRWDZBQOSA-N 403.527 1.912 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1507605421 SSYPRVAHBNUREF-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507631628 FQJHARULBSYCJE-IEBWSBKVSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@]2(CCOC2)O1 1507658460 BGIXZCNJNIMLNZ-LMVRJCEZSA-N 414.506 1.413 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1507687092 LCTDCPRISUKTGM-UHFFFAOYSA-N 406.490 1.957 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)NC)C1 1507755759 HCOUBALQTLFGFB-HNNXBMFYSA-N 418.592 1.963 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507812921 ZUQBVWTYGMQBED-KPFFTGBYSA-N 424.567 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508137865 SDUSCQRZXHHWNH-OAHLLOKOSA-N 405.524 1.945 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1508160521 VJUSIRHJZFQOSU-UHFFFAOYSA-N 413.551 1.895 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1508422912 FNDCHZHZRCHMAC-LSDHHAIUSA-N 420.514 1.707 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1510638347 HSMFGDPNTGEMGN-ZFWWWQNUSA-N 422.486 1.113 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1ccnc1C 1519436146 KSHZDUVLKYPLEP-TXPKVOOTSA-N 403.462 1.649 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCC1 1519452026 ZPGFMYJBNDFXET-BBWFWOEESA-N 405.499 1.426 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(N=S(C)(C)=O)cc3)CC2)c1C#N 1522362855 QJXUQLBHNVBSCP-UHFFFAOYSA-N 400.508 1.922 30 10 HDEE CC1(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 1535198360 ICLFWMCQSANMIJ-SJLPKXTDSA-N 416.909 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(C)(=O)=O 1539251956 SMAQULIVVRPQEL-UHFFFAOYSA-N 402.476 1.080 30 10 HDEE C#CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1539530464 HZMWSUAVBTXMGC-FQEVSTJZSA-N 421.567 1.259 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccccc2)C1 1540874262 ZTYWECDIGGYQSM-SFHVURJKSA-N 424.505 1.281 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1544817087 BNWDEYUDISHMJE-OAHLLOKOSA-N 404.463 1.760 30 10 HDEE C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1544869953 JVKQNQLHMZVOFY-RMYFCYLKSA-N 400.483 1.687 30 10 HDEE CCc1nnc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)s1 1546398984 GIKKZEYHIVRFNO-GFCCVEGCSA-N 411.495 1.983 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)NCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367739 KMWIXMWSIQCZBR-HNNXBMFYSA-N 413.400 1.170 30 10 HDEE COc1cccc(Cl)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1555028185 AXTAQTPIPIBNDQ-SWLSCSKDSA-N 416.869 1.668 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1555648603 COPMINWTRIMSHO-ZFDMEJTGSA-N 404.471 1.129 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1557238103 GCCMSVZYYACXDQ-MRXNPFEDSA-N 405.520 1.319 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C[C@H]1C(F)(F)F 1560120134 JZXXRQJTXITWLH-OAGGEKHMSA-N 418.460 1.352 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCOC3CCSCC3)C2=O)cc1 1564689227 FDSFDROYJAKSOK-GOSISDBHSA-N 402.520 1.871 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1C 1583821109 UTAFMNUGMSVGFU-UHFFFAOYSA-N 424.519 1.337 30 10 HDEE CC1(C)O[C@H]2C[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]2O1 1585523610 CSQUCTFASUYMGH-DZUCGIPZSA-N 412.446 1.562 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O)C1CCOCC1 1586730812 WLUQRQSUKOWGIQ-MSOLQXFVSA-N 400.500 1.949 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccs1 1587979673 WVTGNPZNUMAQHK-UHFFFAOYSA-N 412.475 1.567 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588059791 VHPQRXXJVDCVLJ-OXJNMPFZSA-N 424.567 1.299 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588073723 CCHHGRNGVXDMKZ-FGTMMUONSA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN(CC)C(=O)OC(C)(C)C 1588073774 DKWVHYSPHXIBQS-UHFFFAOYSA-N 416.526 1.746 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@@H](C)OC)n1 1588074225 LEIXGFCCZMDONH-OAHLLOKOSA-N 412.519 1.799 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCS(=O)(=O)C1 1588170382 FJNNWUBJGHPHPN-KZNAEPCWSA-N 418.563 1.704 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1588223657 BLSRQOJAKQJZOR-PGRDOPGGSA-N 409.490 1.810 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1588271793 PQOCVWZONWDBGH-INIZCTEOSA-N 411.506 1.796 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1588310165 SBXLOUAHXDZGPC-UHFFFAOYSA-N 419.489 1.449 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1589088734 GZKPKQAWBKCNCT-UHFFFAOYSA-N 421.530 1.287 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1589516310 ZILGLKFBUCZHRS-HNAYVOBHSA-N 414.510 1.725 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1594812854 LRTURICDWMZLKU-JQHSSLGASA-N 424.567 1.777 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1595418617 QWWKGLKVMWHNGO-KRWDZBQOSA-N 404.540 1.558 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](OC)C1 1595506648 IETVFWUFRWOOCC-HNNXBMFYSA-N 401.467 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1595804933 IRUDYPCWRXNQPY-UHFFFAOYSA-N 424.489 1.971 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCCO)cc1 1595900036 QGIDZAJHNRXFRU-QGZVFWFLSA-N 403.479 1.583 30 10 HDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cnn1C 1611889335 FOJRXADMFGTMFB-UHFFFAOYSA-N 420.477 1.145 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)c1ccco1 1614028157 SUKYZNOELIWINR-NRFANRHFSA-N 407.478 1.934 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(-c3ccccc3)nc2C(C)C)CC1 1615208887 JCTSWKBKTZSWBA-UHFFFAOYSA-N 407.518 1.893 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1616124058 BMVYOUKNXUHBTA-KUHUBIRLSA-N 400.487 1.255 30 10 HDEE CN(CCN1CCCC1=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1617460452 CYHKHVNTAJUPBH-TZQQIIETSA-N 404.511 1.854 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1617495303 UOIQQFMZWIAVDO-UHFFFAOYSA-N 412.830 1.468 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO)[C@H]1CCOC1 1617734112 BUPOBAINFFKDJU-UXHICEINSA-N 410.522 1.889 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1619909599 DBWPEMZTJKJREX-IAGOWNOFSA-N 410.544 1.157 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCCOC3)C2)s1 1623813933 AOMFKIMCNQCTFO-KRWDZBQOSA-N 400.522 1.163 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)cc1 1627798497 GZVNBGVBOQKJIJ-UHFFFAOYSA-N 400.460 1.944 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1629612402 HUCKZMYYVUBDIK-HNNXBMFYSA-N 412.895 1.809 30 10 HDEE CCOC(=O)CON=C(C(=O)NOCc1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1631233935 GQTDRWWMOOUSBU-UHFFFAOYSA-N 414.340 1.960 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 1635050376 AQRXDJVIKPISAX-CYBMUJFWSA-N 412.922 1.970 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1636469315 LOJNWZKQDVJLMR-MJGOQNOKSA-N 408.520 1.876 30 10 HDEE CNC(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1638015851 COTHBBKZUCIGMD-DBWCEAHUSA-N 419.526 1.693 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C[C@@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1638691794 PXCWDQDWGDCTEV-HIFRSBDPSA-N 415.416 1.233 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)c2cn(C(C)C)nn2)s1 1639389955 WUZPYACBKIFVDW-UHFFFAOYSA-N 411.553 1.979 30 10 HDEE COC[C@@]1(CO)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1640895930 GCCVSYPMDKDLLV-FQEVSTJZSA-N 423.535 1.143 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(c4nc(N)n[nH]4)CC3)CC2=O)cc1Cl 1641801637 HGKFLBYRLDHBQQ-CYBMUJFWSA-N 413.869 1.671 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)[C@H]2CCCN(C(=O)C3CCCC3)C2)CC1 1655318452 CVNANXRLWWSHBE-INIZCTEOSA-N 411.524 1.276 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(Cc3ccccc3)cs2)CC1 1660139555 SHWGFAMTFYJAFC-UHFFFAOYSA-N 419.532 1.351 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cn1 1664447911 IAOABMISYYMOBW-UHFFFAOYSA-N 413.503 1.129 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1 1669330790 CERFEUFBDYPILR-FQEVSTJZSA-N 415.534 1.916 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cn1 1672353045 MPWIJOXKWCOOKG-PGUXBMHVSA-N 413.297 1.485 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)CC1 1677216394 OJJAPHDGVIJVLA-HNNXBMFYSA-N 412.512 1.157 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1680779366 WGIKFMBPRUXXSC-SVMVAKDDSA-N 410.474 1.786 30 10 HDEE C[C@]1(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOC1=O 1685710379 BEVSIRZLXQOXFQ-IBGZPJMESA-N 400.414 1.403 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCN(C)CC1 1689944296 OUQNMLGLNZGSMY-UHFFFAOYSA-N 413.551 1.822 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1689992879 QOPQUUKNKHHMAK-GOSISDBHSA-N 414.531 1.914 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1 1690082477 COQIPPMEFRMISB-UHFFFAOYSA-N 405.506 1.941 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)cc1OC 1690104335 TXZXCWFBKSXSKW-KRWDZBQOSA-N 400.479 1.934 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nnc(C)s2)CC1 1690132820 XQUZYLDSYZKHCT-UHFFFAOYSA-N 411.539 1.103 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccn(CC)c2=O)CC1 1690146015 CZPSVVFKOUKNLN-UHFFFAOYSA-N 424.549 1.672 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CC1)N(C)C 1690190014 JATARUZFLAPHLR-SIXWZSSISA-N 408.572 1.221 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690236299 LFCRPPNJUBJMMS-BDXSIMOUSA-N 419.526 1.345 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCOC1 1690259422 IZNLLPFEONNAAV-FQEVSTJZSA-N 410.482 1.475 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1690345729 BSNMAVQASOLSRJ-NSHDSACASA-N 411.862 1.209 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1690526666 BLTNOXUPFSFPFT-QGZVFWFLSA-N 417.535 1.553 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1690583646 RSXBBRUPZNMQFL-UHFFFAOYSA-N 408.506 1.929 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690666886 JIYMORPYLZRGLQ-VQIMIIECSA-N 405.506 1.792 30 10 HDEE C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]43)C[C@@H]2C1 1691564746 XNXSPPSFUXZAFK-XCDZQEORSA-N 402.539 1.605 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1692850749 AJTYUWXEBHCEBL-CXAGYDPISA-N 417.482 1.592 30 10 HDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1693862205 CUEVNRHIYYSBRH-AWEZNQCLSA-N 410.507 1.847 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 1696491194 AIUHDODDQHWXDS-MRXNPFEDSA-N 410.544 1.541 30 10 HDEE CN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1696640109 OBJKCIVHRLNVCQ-BCHHYXHLSA-N 418.523 1.250 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1698483634 HACNIBLMNPHAES-QAPCUYQASA-N 404.471 1.260 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705532997 SYLVTHYQEFHYSD-ROUUACIJSA-N 416.551 1.940 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705533421 MPHCSYREYFMWQN-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705540077 MLGFLMOBWVMVDM-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705821501 ZFYZGFAJYNVLRC-INIZCTEOSA-N 404.540 1.700 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1705874099 DZIGKDVXPJSSGQ-GOSISDBHSA-N 422.537 1.909 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1706749717 BNPHRSZXBSUSRQ-HNNXBMFYSA-N 402.524 1.827 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CC2)CCO1 1711362809 GFLGHDRTVFJYPH-MRXNPFEDSA-N 412.519 1.664 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1712167055 DPHLBZBZSKFXOQ-ROUUACIJSA-N 400.458 1.322 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1722324546 UHAQMJCDWICNRI-RYUDHWBXSA-N 409.434 1.069 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1722330088 OWZDVGAZYVZIOO-IBGZPJMESA-N 408.510 1.811 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722333492 WLDCNVLTMWPBIJ-ROUUACIJSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)[C@@H](C)CC 1722396520 JFIJIAIOLPSQJM-ZWKOTPCHSA-N 405.568 1.373 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N(C)C)C1 1722710784 OJGVVSRVSFGDSG-UZLBHIALSA-N 407.515 1.190 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(C)C[C@@H](C)C#N)CC1 1722796178 IVEOXJRYHHHDDQ-INIZCTEOSA-N 415.567 1.690 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726890039 UVFIIUBGEUGJOP-IUTYPILCSA-N 402.499 1.791 30 10 HDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1727252101 DTHQRNBJOUHMCZ-KZNAEPCWSA-N 413.478 1.602 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCc2ccco2)CC1 1731187132 XWVVXSINFYQKSS-UHFFFAOYSA-N 405.462 1.913 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2F)CC1 1740578548 CKMNMXTTZTVVLE-UHFFFAOYSA-N 411.485 1.788 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncccn2)CC1 1740594714 ANSBNPOBORQGOK-UHFFFAOYSA-N 405.510 1.670 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1740669256 TYXWQJLFQBTGNL-INIZCTEOSA-N 414.510 1.434 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCN(C)C1 1740688083 QNDVWPFHWMAORU-HMFYCAOWSA-N 419.570 1.349 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C)CC1 1740693233 VBRJENVTZYUGNE-WIYYLYMNSA-N 404.559 1.024 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1740696061 LIGPIRSFEZBWQH-QGZVFWFLSA-N 407.584 1.447 30 10 HDEE C=C(Br)Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1740749905 HGESJCQOLGYLHC-HNNXBMFYSA-N 419.345 1.408 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740794196 SDPMMJOQVSXOTB-MRXNPFEDSA-N 418.523 1.867 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1740803863 WDBVMZXZALVNGQ-CHWSQXEVSA-N 414.923 1.074 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1740952505 GVJYUGYDEHIXFV-AWEZNQCLSA-N 402.503 1.278 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1740958691 FUNCRDFEQBVIKY-UHFFFAOYSA-N 411.466 1.438 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1741686972 CHKRUJCJSHTUMX-HNNXBMFYSA-N 409.494 1.398 30 10 HDEE Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1742793545 NRJNHAUJLXHYHV-QZTJIDSGSA-N 406.556 1.921 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1747404370 ADZWMUMXKNOCCC-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1748686409 OQCDCMSNDSSMOK-CQSZACIVSA-N 411.441 1.607 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1748735520 HLUFSUYDDBPULN-INIZCTEOSA-N 417.489 1.671 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1748833523 UEXFVHPGBJIMRG-UHFFFAOYSA-N 415.545 1.916 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1748928893 AIUIUTGNXMVSTG-GFCCVEGCSA-N 410.487 1.935 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1749039525 WEBIXYYCMULRRA-HNNXBMFYSA-N 414.597 1.798 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749189483 LAJGFZLATCPKGG-ZIAGYGMSSA-N 401.471 1.890 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749280338 IASUGHNKZFMVIE-CQSZACIVSA-N 406.849 1.963 30 10 HDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1749464506 XKAJDEVWPPSYFA-CQSZACIVSA-N 420.495 1.103 30 10 HDEE C=CCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749643368 PEWJWWUXUAIZTJ-OAQYLSRUSA-N 421.542 1.484 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)C1 1750380755 YJRWSRNXCHFQQW-QZTJIDSGSA-N 402.386 1.447 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760143962 YRJIPUNZVBSPHQ-KRWDZBQOSA-N 400.527 1.813 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCCC1 1760162601 BLMBHTBXOBOWRO-INIZCTEOSA-N 411.572 1.945 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N1CCOCC1 1760166168 TYSDCOZRCIWFCI-UHFFFAOYSA-N 419.489 1.654 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1760226469 DPBJQPPHDHHBOJ-UHFFFAOYSA-N 418.479 1.348 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1COc2ccccc2O1 1760247465 CGUKQTNZAMFWTJ-KRWDZBQOSA-N 408.462 1.605 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760282805 QUKVZVAABPMULK-UHFFFAOYSA-N 413.613 1.751 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760372395 HZHLLBLAGLLYJI-UHFFFAOYSA-N 424.896 1.913 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1760464473 IFFUYIPBJYLDMX-AWEZNQCLSA-N 401.508 1.516 30 10 HDEE C=CCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760513456 YAZDWNSDVXOJOP-KNQAVFIVSA-N 418.586 1.721 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)c1cc(OC)cc(OC)c1 1760523120 MUMVEFRKSNKUJC-UHFFFAOYSA-N 409.450 1.822 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC)C1 1760537510 OYTTXHNSRYBYTJ-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)C1 1760543884 UCWNLZGAVSCELP-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE CC(C)(O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1760817100 FSACDNSGVRXMKE-KRWDZBQOSA-N 423.521 1.588 30 10 HDEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1761311662 PRNFXMYGUDMOHB-MAUKXSAKSA-N 412.560 1.833 30 10 HDEE CCOCCN(CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1766567154 QVCOMAQNCHNLIB-UHFFFAOYSA-N 422.493 1.891 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1766694096 URFOMOJDTMTFGI-CRAIPNDOSA-N 413.544 1.349 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cncn2)cc1 1770136963 DYDUYISEDISNIO-SFHVURJKSA-N 408.466 1.092 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770727136 CEZAWZBGULSPCK-TXSJJRPESA-N 422.424 1.308 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1770739975 DWDWFSAHPWVIIL-UHFFFAOYSA-N 408.443 1.565 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCCO2)CCO1 1770752052 PGVZTNFRWBSOLM-RTBURBONSA-N 412.494 1.578 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(Cn3cnc4cc(OC)ccc4c3=O)CC2)CC1=O 1849321214 KZPHUUIESSKHAF-QGZVFWFLSA-N 424.501 1.678 30 10 HDEE CN(CC#CCNC(=O)[C@@H]1CCCN(c2cnn(C)c(=O)c2)C1)Cc1ccccc1 1850326426 QICWRYUVZSXUSH-HXUWFJFHSA-N 407.518 1.248 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1850424407 JSXDZSAGVYHEHA-SFHVURJKSA-N 424.954 1.941 30 10 HDEE CN1CCN(c2nc(NC(=O)Cc3ccc4c(c3)OCO4)c(C#N)cc2C#N)CC1 1851235178 QSSDHPRJVCKMPE-UHFFFAOYSA-N 404.430 1.487 30 10 HDEE N#Cc1ccc(N2C[C@H](OCC(=O)CCCN3C(=O)c4ccccc4C3=O)CO2)nc1 1851529072 XRAJZLLOQRLCFV-KRWDZBQOSA-N 420.425 1.736 30 10 HDEE COc1nc(=NC(=O)C2CCN(c3cc(Cl)nc(C)n3)CC2)c(C#N)c(C)[nH]1 1852192283 OUTJYWDVONIHRG-UHFFFAOYSA-N 401.858 1.694 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCCC2 1853684032 NRGLBJPJCYKHCU-GOSISDBHSA-N 417.550 1.964 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@H]1C 1854281149 GXAUTKMWCWJFSL-CABCVRRESA-N 416.547 1.794 30 10 HDEE C[C@H](CC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O)n1cnc2ccccc21 1855018976 GRCPGBQDZLJUQN-MSOLQXFVSA-N 408.506 1.646 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(OC)c(F)c3)[C@H](C)C2=O)CC1=O 1856303728 INWMJPQLUVRQAL-ZBFHGGJFSA-N 403.454 1.428 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@H](COc4ncccn4)C3)C2=O)cc1 1856413413 HAPROICJFVSWEH-HKUYNNGSSA-N 405.458 1.880 30 10 HDEE C[C@H]1CN(Cc2ncnn2C)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856488220 WSLYRQVDFUEWDD-AWEZNQCLSA-N 401.430 1.911 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1856540681 PHHKJIKCFMMACN-WMZOPIPTSA-N 415.515 1.604 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)C2)cn1 1856895095 GBBXKZDYOAWSGG-MJGOQNOKSA-N 400.527 1.334 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@@H]1CCN(C)C1=O 1857239527 CHVNUARYYOHLJH-SJLPKXTDSA-N 403.523 1.287 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)c(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857268748 DDCUESMZZNZRBD-DOTOQJQBSA-N 415.490 1.411 30 10 HDEE COc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)cn1 1857495670 QJMDPZLVLKJPBQ-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2OC)cc1 1859009359 LBVJNFFMRUFURD-UHFFFAOYSA-N 416.455 1.716 30 10 HDEE C=CCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609693 OTBIDGWBJMKMMC-AEFFLSMTSA-N 415.490 1.803 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871675884 CHZAIVBMKHCITJ-UHFFFAOYSA-N 422.537 1.904 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)CC1 1872909801 OYXDTHPVQSBEQI-LJQANCHMSA-N 413.518 1.627 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873560706 JWBSBMKSZRHIAG-HZPDHXFCSA-N 401.511 1.526 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccccc1O 1874434984 HYESUCZZKWXRFD-DNTJNYDQSA-N 405.480 1.793 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1960402326 DNJJFKVVYRPRHJ-VGWMRTNUSA-N 410.515 1.848 30 10 HDEE Cn1cc(C#N)c(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1 2029307511 FPUKJVNXRGHHJV-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE C[C@H](C(=O)C=C1N(C)c2ccccc2C1(C)C)n1cnc2c1c(=O)n(C)c(=O)n2C 2040489533 DHSPHFKVPCZFPY-CYBMUJFWSA-N 407.474 1.875 30 10 HDEE O=C(CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)NCC(F)(F)F 2195540972 NYNUPZMWFXVNNZ-BQBZGAKWSA-N 403.245 1.739 30 10 HDEE CC1(C)OB(c2nc(NC(=O)C(C)(C)S(C)(=O)=O)ccc2Cl)OC1(C)C 2241126432 SJLVPQRILFFCQH-UHFFFAOYSA-N 402.709 1.796 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243402940 PFDUNTHMZHBXKC-UHFFFAOYSA-N 406.292 1.400 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247778685 GKFCAKJBGKZYFU-KGLIPLIRSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827713 IRGGHHISKFJNFK-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247829038 QWWGLMQZJOEBDV-UHFFFAOYSA-N 418.303 1.402 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2249436412 BMFWZFAUJRRSHK-OAHLLOKOSA-N 416.521 1.293 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2255700556 FDEDUOXAQJYOAZ-IAGOWNOFSA-N 420.322 1.636 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255816660 JGBRGELXORBCKF-QFBILLFUSA-N 424.354 1.970 30 10 HDEE C#CC(CC)(CC)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258190488 ZOBKNCYALJCPNH-MRXNPFEDSA-N 410.492 1.566 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1C#N 2258198614 DSFDAXMUFANYHB-LBPRGKRZSA-N 411.430 1.872 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469516 WXAZHTPNAXGEIP-NEPJUHHUSA-N 404.388 1.029 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267709804 IFSMMNOVFMGBBH-XMMPIXPASA-N 407.388 1.235 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267717347 BRRXTUXFQKXSDV-NWDGAFQWSA-N 404.388 1.029 30 10 HDEE Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2281993666 FFYSPZUDMGEKJJ-NSHDSACASA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NC3CSCCSC3)c2)OC1(C)C 2282291895 NPONBVKLVCMSRS-UHFFFAOYSA-N 416.399 1.508 30 10 HDEE C[C@H]1CNCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308811 WQXUXWQDPAQPOH-JQWIXIFHSA-N 420.793 1.977 30 10 HDEE C[C@@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333733 SAMMPZOWBWJMLX-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CN1CC[C@](C)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282495632 OWRAVKLORYFQEH-QGZVFWFLSA-N 400.375 1.667 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282501731 AZIUDCLEZOFQHP-RWMBFGLXSA-N 400.375 1.807 30 10 HDEE C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503751 FIPWLMUPFUCGOU-VXGBXAGGSA-N 400.737 1.749 30 10 HDEE CN(C(C)(C)CN)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506314 QLDRCLQXUHINMN-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCN(CCO)CC3)c2Cl)OC1(C)C 2282637840 DVEFTMYFTRAZCM-UHFFFAOYSA-N 400.737 1.451 30 10 HDEE COC[C@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845355 QWBJWCDBFSEVNT-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H](CN)C3)s2)OC1(C)C 2282848865 SWJABPQVKVAAHV-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE C[C@@H]1CNC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854687 UZDQKWKNCWEYRH-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](O)C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282870012 LIANFTUBSXXRSX-JTQLQIEISA-N 411.301 1.568 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2(C(=O)O)CC2)c1B1OC(C)(C)C(C)(C)O1 2284393763 PFIZPNGKOIAXKF-UHFFFAOYSA-N 401.315 1.560 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415285 MWBJNTMJEXKWPM-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2365202864 QCYBVBGVEXKZTC-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2365205188 SIBAGJQYLXUPDE-PMPSAXMXSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367807938 YDTHZDKPMIABRP-BEFAXECRSA-N 400.541 1.437 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2367827559 ITMOGURGYFNRJL-CABCVRRESA-N 402.557 1.552 30 10 HDEE Cc1ccc(-n2c(=O)/c(=C\c3ccc([N+](=O)[O-])cc3)s/c2=C(\C#N)C(N)=O)cc1 12618471 YFLSDXBXRZQKBG-UPLVKQGGSA-N 406.423 1.104 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 409478493 MUXAGHKQXOGKSZ-HQQWDMGQSA-N 402.879 1.677 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2(CC#N)CC2)c1C 435955277 FQFRKCCATWBENQ-ROUUACIJSA-N 419.547 1.854 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461295171 BTOLZMFSMIIALD-UHFFFAOYSA-N 421.461 1.968 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC23CCC(CC2)C3)CC1 462087496 JMWDPJPGQAZOJS-UHFFFAOYSA-N 423.560 1.775 30 10 HDEE N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 462705455 ARAJGCLDTYPNAV-UHFFFAOYSA-N 423.491 1.960 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2)cn1 466045710 WAURDVVUXYSRRX-FQEVSTJZSA-N 407.522 1.788 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccn(C)n1 468755758 AFEPCLDTJIYPGQ-CYBMUJFWSA-N 402.354 1.503 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 479873153 JVVBQHJRMCHDSA-OALUTQOASA-N 400.498 1.959 30 10 HDEE CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482206687 HPHOQCUWRCXNCO-CYBMUJFWSA-N 400.460 1.846 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 486693415 IJCXZIBJWUSTLG-UHFFFAOYSA-N 415.475 1.352 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCNC(=O)c3ccccc3)C2=O)cc1 487484774 MOEBUUWMXUQXKS-HXUWFJFHSA-N 419.485 1.778 30 10 HDEE CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)n1 489545584 BRMKDISLAHRDOD-AWEZNQCLSA-N 420.495 1.249 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F 503067122 XRCVFNRELMNFMF-NWDGAFQWSA-N 402.423 1.999 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508881744 SUMNKCFGUYXZJU-HXUWFJFHSA-N 422.533 1.885 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C1(S(C)(=O)=O)CC1 510524770 QMNLBVKLRIKLAU-SECBINFHSA-N 407.311 1.565 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)C(C)C)ccc2Cl)CC1 525068617 HXXANUIAAIKQRP-UHFFFAOYSA-N 406.914 1.995 30 10 HDEE CCOC(=O)CC[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 535524006 ITLYUVMFHJCVHZ-OAHLLOKOSA-N 421.519 1.807 30 10 HDEE CCCCS(=O)(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 536360953 RSQBRIFTKBYHHF-HNNXBMFYSA-N 410.521 1.118 30 10 HDEE CNC(=O)C1CCC(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 543570507 AYVGLCCULOVOSZ-UHFFFAOYSA-N 404.470 1.841 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)s1 553549218 DSEGWKGRAGQMRE-QWHCGFSZSA-N 403.485 1.817 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1cccc(S(C)(=O)=O)c1 558090051 XLWGJGWPHPGHMT-UHFFFAOYSA-N 408.501 1.799 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 559773999 LKXQGGSISUUINP-URVUXULASA-N 419.520 1.992 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)CC1 561453420 IOTVMPLJJGSYCN-HXUWFJFHSA-N 401.507 1.450 30 10 HDEE Cn1cnnc1Sc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1[N+](=O)[O-] 580912913 CZDAZZZSSUYLML-UHFFFAOYSA-N 415.435 1.073 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(C(=O)OC)cc3)N2N1 588225424 FBMPDGVVELVMBF-SFHVURJKSA-N 406.467 1.535 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589418074 BAUGVFLUCFHJPO-UHFFFAOYSA-N 401.444 1.581 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)cc2C1=O 608227975 JFUZRMKSGLTRSM-SJKOYZFVSA-N 407.430 1.126 30 10 HDEE C=CCn1c(Cc2noc(Cn3cnc4c3CCCC4)n2)nnc1N1CCOCC1 685260652 SVLMHNFHZSWSJO-UHFFFAOYSA-N 410.482 1.398 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1cccs1 729672771 HSUXHBZAJWKICC-UHFFFAOYSA-N 403.492 1.888 30 10 HDEE C#CCOc1ccc(Br)cc1CNCCCN1CCCS1(=O)=O 729684037 GAZLMQQQKAQKIZ-UHFFFAOYSA-N 401.326 1.976 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCN1C1CC1 732649050 ODJKRCPMMABXNU-ICSRJNTNSA-N 416.547 1.427 30 10 HDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707937 JPFMBRWSKGTPDF-KRWDZBQOSA-N 416.441 1.883 30 10 HDEE N#CCOc1ccc(Cl)cc1CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1 735363519 BHODBFLMPYAZCL-UHFFFAOYSA-N 404.854 1.036 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 744839830 LDSRQJMEPVZCIV-KDOFPFPSSA-N 401.463 1.617 30 10 HDEE C[C@]1(C#N)CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 753159562 DBBIXTKVQDTSRY-YLJYHZDGSA-N 421.519 1.868 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 755683552 LFTIZTYIYJEHSY-LJQANCHMSA-N 417.462 1.884 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)no1 758752406 BSLHESDIANOTJZ-MJBXVCDLSA-N 406.443 1.220 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccc2nnc(O)n2c1 767727722 GANCTTNHFBNJFM-CYBMUJFWSA-N 409.402 1.936 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 770029775 BHSMOECIRLWJEP-MRXNPFEDSA-N 417.418 1.537 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N2CCCC2)C1=O 771582452 LWNUKRLSVMTXRS-QKKBWIMNSA-N 412.446 1.102 30 10 HDEE COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780180032 NFWCFWCYZAZCGW-XCLFUZPHSA-N 410.467 1.591 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2CCC1CC2 787526259 OHPCKUUFVSCTSY-KRWDZBQOSA-N 404.536 1.591 30 10 HDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccnn3-c3ccccc3)c2=O)CC1 790360435 HYTJQTXYDFEMFA-UHFFFAOYSA-N 416.510 1.389 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)C(C)(C)O1 793588794 DQQUYKQKKQVMRC-YCRPNKLZSA-N 413.478 1.632 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 795186817 FORYVDKGLXTWBW-INIZCTEOSA-N 406.458 1.886 30 10 HDEE CC(C)n1ncnc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 798135533 XWPDUIHMQPDCHE-UHFFFAOYSA-N 418.523 1.774 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@]1(C)CCC(=O)NC1 798778609 AIXSSZMYLFQYIO-HXUWFJFHSA-N 404.467 1.411 30 10 HDEE O=C1COC[C@H](C[C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)c3ccccc32)N1 809247366 MVVHRIFYGNMEML-SJORKVTESA-N 404.422 1.802 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC2(CC1)OCCO2 812187109 KVHMKGMTBSDEFH-UHFFFAOYSA-N 408.466 1.840 30 10 HDEE Cn1nnc(Br)c1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 813148777 LQDDOYQRNLTEIV-UHFFFAOYSA-N 403.284 1.866 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)C[C@H]21 815705900 HLACAMLJKCEKMV-VQFNDLOPSA-N 420.425 1.870 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3coc4cc(O)ccc34)CC2)o1 915368123 IRMKZPFHLKYNFT-UHFFFAOYSA-N 424.413 1.741 30 10 HDEE N#CCCNC(=O)COC(=O)CCN1C(=O)COc2cc(Br)ccc21 915520130 RQMLPCCZNJWZBV-UHFFFAOYSA-N 410.224 1.138 30 10 HDEE CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916869635 YGTXWZBMNNRLBU-MJGOQNOKSA-N 417.481 1.858 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@H]21 919010184 VNCXZDNQJQBJKC-QZTJIDSGSA-N 401.463 1.922 30 10 HDEE CC(C)(C)CNC(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134055757 FABWLQZQSCZLSC-JXFKEZNVSA-N 403.504 1.473 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3C[C@@H]4CC[C@H](C3)O4)C2)C1 1140911784 RIZQOPKYUAPCLX-ZLAJULMLSA-N 418.538 1.753 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1154541943 VPDQXEPIPUANDZ-VFNWGFHPSA-N 413.499 1.527 30 10 HDEE C=CCONC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1158202537 BGLMQIJXXMWIEQ-AWEZNQCLSA-N 404.492 1.778 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCC2)CC1 1167455610 SSHIVNUJRVNUSA-SFHVURJKSA-N 418.563 1.837 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@H]1CCCc2ccccc21 1178954788 PKMLDSNIGGEDQK-HBFSDRIKSA-N 414.527 1.561 30 10 HDEE C=CCn1cc(CNS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)nn1 1191582616 HLSWFUWOSWXPPI-KRWDZBQOSA-N 419.507 1.542 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)C1CCOCC1 1192787662 KSGUJNFPFBDLJU-MRXNPFEDSA-N 418.512 1.684 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196643546 JMLGDZATWFUJSJ-KBPBESRZSA-N 415.899 1.860 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NC(=O)N1CC(F)(F)OC(F)(F)C1)C(F)(F)F 1205034102 DKSYMGRLIIECSF-LURJTMIESA-N 405.292 1.036 30 10 HDEE CCOC(=O)c1c(NC(=O)NC2CCN(C(=O)CCOC)CC2)c(C#N)cn1CC 1206508267 CGTXPYYHLJQAAG-UHFFFAOYSA-N 419.482 1.705 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2ccco2)CC1 1221119585 DIFGEFPNFSRYJG-GOSISDBHSA-N 402.476 1.164 30 10 HDEE C[C@H]1C[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C(=O)N1c1cnn(C)c1 1265562968 YYCXNXRDJBGLTK-ZBEGNZNMSA-N 416.279 1.907 30 10 HDEE C#CCOCCC(=O)N1CCCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1286070521 VLIHVTQUKCTPRY-HLXOMJDXSA-N 400.519 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](F)COC 1286285666 ORQFKPXFFRSVJT-KBPBESRZSA-N 408.503 1.681 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1286311597 KGAILGSORFONSU-UHFFFAOYSA-N 400.527 1.766 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286393676 MEXBNPOVRWTAFX-XDNAFOTISA-N 422.551 1.081 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1286565527 APZWEKBOJZXUIW-RMKBEBRYSA-N 417.601 1.592 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1286709297 PKKMXOUFFJEXGW-OAQYLSRUSA-N 413.478 1.968 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286709884 HRYFKTFONSCRQZ-HZSPNIEDSA-N 417.432 1.978 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286788857 IOATVSLKZAWOKM-UHFFFAOYSA-N 422.489 1.917 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCCS2(=O)=O)C1 1286803270 CPGGVFSUWZJTPE-INIZCTEOSA-N 420.539 1.100 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCCc1cnn[nH]1 1292161982 KOQNXSBYADVFLU-GJNTUIEKSA-N 401.511 1.747 30 10 HDEE CC[S@](=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297817465 ZKOWFDSARGYANS-NDEPHWFRSA-N 400.508 1.534 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1298284002 WXXRWQRDHJIKOE-MRXNPFEDSA-N 401.492 1.213 30 10 HDEE CCO/C=C/[C@@](O)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1298577106 VEPVJIWBDSTBGZ-KXPUMZMLSA-N 420.409 1.433 30 10 HDEE Cn1cc(N2CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2=O)cn1 1298833724 HLVFEAXPMHIQTH-UHFFFAOYSA-N 420.477 1.174 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1300320672 HIUYSRDKZQUPCG-KURKYZTESA-N 402.543 1.358 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1300340151 VHFDWTMXAUEXRO-DLBZAZTESA-N 408.572 1.366 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300403158 JMXRBJODDQKUES-ZWKOTPCHSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1300430928 QSZZEJZNVDDFEA-HNNXBMFYSA-N 403.508 1.571 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1300431553 HVKKOGUVPMGLQC-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1300526632 LKNUTCRFMOHUFO-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(OC)ccc2OC)CC1 1300710547 FVBILXKULZXABZ-HXUWFJFHSA-N 411.506 1.950 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1300762704 LUTGATQUQZLUOU-INIZCTEOSA-N 422.580 1.307 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301054694 VCFJLLYHYICLAS-JKSUJKDBSA-N 407.471 1.425 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301218021 IRQWURGONYDBDX-UHFFFAOYSA-N 410.526 1.446 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1301256153 PWWMVGXYGJAHLK-ZDUSSCGKSA-N 405.398 1.590 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ncnc3sccc23)CC1 1301502245 DRLRHJGOXOEXFB-UHFFFAOYSA-N 412.523 1.474 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC2CC2)CC1 1301506742 QRNCSKAXQYKBQT-UHFFFAOYSA-N 412.513 1.842 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CCC2)C1 1301566033 JAHAQMZFRMBMJM-OFJJUDJNSA-N 421.567 1.483 30 10 HDEE N#CCCN1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 1302596336 IJIGDZHRSWDLNA-KDURUIRLSA-N 407.474 1.636 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCN(C)C2=O 1303244612 HRJZFTZMTRUDJC-NSHDSACASA-N 412.878 1.016 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1304490215 MPRWIGDNFOBTRA-CYBMUJFWSA-N 408.480 1.543 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1305310838 GBLHEFQPLSPCLW-UMPJEAMMSA-N 400.549 1.281 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 1307936239 BOIJQLWYGUFHGD-HKUYNNGSSA-N 415.490 1.977 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 1309403246 RJWUEHOCNMKZCG-RTBURBONSA-N 420.531 1.742 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](O)Cc3ccc(F)cc3)C2=O)cc1 1312624986 HGZRXHXINWGBGN-WOJBJXKFSA-N 410.449 1.701 30 10 HDEE CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1315072916 JDIGGIKZDGLAQF-MSOLQXFVSA-N 414.535 1.523 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)C1 1316531282 IFGYGCXPDXHCAY-SFHVURJKSA-N 416.486 1.546 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 1320029933 MJGJPKCZHNAKGS-LJQANCHMSA-N 407.536 1.250 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1325298812 HCNBFBXYPFJNED-QGZVFWFLSA-N 423.535 1.250 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1358886905 MLAJVAAEDHTRBY-RHSMWYFYSA-N 410.478 1.126 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1358905156 TYVGBHKYHRKANO-SJORKVTESA-N 411.572 1.945 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCC3(C2)OCCO3)CC1 1359045583 MNBMLIJAQRASIU-MRXNPFEDSA-N 401.511 1.350 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCS(C)(=O)=O)CC1 1359046979 MRNKOKRVGGSMHE-UHFFFAOYSA-N 421.567 1.021 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359122114 YYOGJSQPCOSPCO-HZPDHXFCSA-N 407.540 1.348 30 10 HDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1359132999 JTRDFGGFEKDHQE-GOSISDBHSA-N 415.494 1.956 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359187227 GJDHVGIOMYDUBC-DLBZAZTESA-N 404.559 1.988 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1359205676 GIPBPOZXPSJMLQ-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCOCCN(C)C 1360474659 SPBBYBNNRQSFHJ-AWEZNQCLSA-N 403.487 1.322 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1360478607 MBXXVBUIOADABM-DNTCVELPSA-N 420.477 1.529 30 10 HDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1360562989 HIGMBTMECXLPBI-MJGOQNOKSA-N 424.553 1.715 30 10 HDEE CC(C)(C)OC(=O)c1cncc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1437143928 JLBDUBGGZJDQAH-UHFFFAOYSA-N 416.459 1.714 30 10 HDEE CCOC(=O)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1443628018 WMZLUUMWADEUEX-SFHVURJKSA-N 421.519 1.743 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)cc2)c1N 1451478411 FFKVSLYGWNARJM-QFIPXVFZSA-N 400.442 1.595 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ncc(-c2ccccc2)[nH]1 1455617940 GBHQWXNXELEMBJ-UHFFFAOYSA-N 423.498 1.864 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)ccc1F 1457137196 JZKWLLDTVMPLMW-MRXNPFEDSA-N 421.498 1.967 30 10 HDEE N#Cc1cc(Br)cc(COC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c1 1459674124 CWIYUDDNPQHIGN-GFCCVEGCSA-N 406.196 1.378 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C)(CN3CCN(C)CC3)CC2)c1 1459926340 XYUVAMLKKBJPEG-UHFFFAOYSA-N 411.550 1.666 30 10 HDEE O=C(CN1CCS(=O)(=O)C[C@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 1460123546 KNTIYZOXYUTCFZ-KRWDZBQOSA-N 414.449 1.682 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(F)ccc1Br 1462871362 IIUNAJJBMFBWTG-CYBMUJFWSA-N 424.313 1.540 30 10 HDEE C[C@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS(=O)(=O)C1 1463930035 PUGCSLIIIMJKHG-INIZCTEOSA-N 412.309 1.450 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)OCC)CC2)s1 1464587945 ZUHGCIYHSLDHEC-UHFFFAOYSA-N 415.537 1.446 30 10 HDEE C=CCN(C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[C@@H](C)COC 1465546618 WDKOKNFLNOCXME-SFHVURJKSA-N 417.554 1.952 30 10 HDEE CN(C)CCN(C(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@H]1CCS(=O)(=O)C1 1465665912 LLICRWUXRIOIOO-IBGZPJMESA-N 403.548 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N2CCN(C(=O)CC#N)CC2)co1 1465872695 VIIHZESTORQIRP-HNNXBMFYSA-N 417.466 1.945 30 10 HDEE N#Cc1cc(NCC(=O)NCC(=O)NCc2ccccc2)ncc1Br 1472873564 HPLFGNGXNIEAER-UHFFFAOYSA-N 402.252 1.560 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473488697 QKEXEKULIWYDQS-QFIPXVFZSA-N 411.506 1.714 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCCNC(=O)OCc2ccccc2)CC1 1479593993 ZMLHEDCLVYRCOS-UHFFFAOYSA-N 408.462 1.711 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1505314172 VLZDBYDVHAANIM-HZPDHXFCSA-N 416.432 1.943 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1507574324 NXRIQTKMPYOMEC-SIKLNZKXSA-N 412.538 1.910 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCOCCS(C)(=O)=O 1507611925 NKMDPJCXKHBPRH-UHFFFAOYSA-N 413.503 1.624 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1507688114 XFZHOLJOVSUOND-UHFFFAOYSA-N 404.474 1.998 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(C)(C)C(=O)NC 1507707776 ZXDHFAQZRXXHPT-UHFFFAOYSA-N 414.466 1.712 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2csc(COC)n2)CC1 1507723487 KBWNFUMPBWDYNW-UHFFFAOYSA-N 410.507 1.142 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507952928 BZIIPZGAYUYWFF-IRXDYDNUSA-N 423.583 1.840 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508061842 BQJUVNQXWYVNKC-UHFFFAOYSA-N 416.555 1.717 30 10 HDEE C=CCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1508066469 RTWAMSNXUGDGCI-NRFANRHFSA-N 415.542 1.562 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnccn1 1508074089 QBZMMPNEBLQKLL-UHFFFAOYSA-N 408.422 1.582 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCn2cc(CO)nn2)C1 1508118120 PNOBECKMQIQMAG-SFHVURJKSA-N 410.482 1.296 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1508405198 CWJCKCLGOYYJBF-AWEZNQCLSA-N 413.457 1.888 30 10 HDEE C[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)COCCO1 1510351464 ZOPCPDRYZLDAGX-HXUWFJFHSA-N 402.499 1.336 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1515283841 HRQQWNIERAPLLZ-UHFFFAOYSA-N 405.466 1.215 30 10 HDEE COCC1=CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1518822278 RQAXOQXNDGEJLN-OAHLLOKOSA-N 417.491 1.476 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCC(=O)N2)c1 1527430315 ADUHKSJIHDZRGQ-QZMYASAMSA-N 406.508 1.887 30 10 HDEE N#Cc1cccc(OCC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1537542530 QPKVGAHGWLGXDO-GDBMZVCRSA-N 402.394 1.905 30 10 HDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1537679097 KMPVHCRXPLKOIE-LBPRGKRZSA-N 404.448 1.342 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CC1 1538992290 OSBARCCNMUCQHX-AWEZNQCLSA-N 418.519 1.997 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539231621 UPQMQDHVESDYIY-CVEARBPZSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(C)(=O)=O)cc1 1539284688 SLPXJUZNKVADEZ-LJQANCHMSA-N 412.515 1.849 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCCC1 1539409354 YCDDOSIVBJJVEI-UHFFFAOYSA-N 418.523 1.179 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1539496133 CJFKHFKTSYOJKR-STQMWFEESA-N 403.599 1.196 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1540077947 VOHGVNLNRXUDQP-CQSZACIVSA-N 418.502 1.386 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1544486160 BLHUVWQIOWZERJ-OLZOCXBDSA-N 409.439 1.279 30 10 HDEE CO[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1555175293 UXECVZKCNSPYSL-DUPDJQDOSA-N 400.483 1.543 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1555690950 NJQPZNKHXXNPHZ-GOSISDBHSA-N 422.493 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1555753517 QJEXJAMSGZAFAR-OKYOBFRVSA-N 418.542 1.463 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2csc(COc3ccccc3)n2)CC1 1556503985 GHFOZDHLASQXAX-UHFFFAOYSA-N 412.515 1.158 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1556805813 YUEBPVFCIHOMNK-UHFFFAOYSA-N 422.356 1.448 30 10 HDEE C=C(CN(C)C)C(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1557518138 WGGOLSSWVLXNCD-QGZVFWFLSA-N 410.559 1.811 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1S(=O)(=O)NCC#N 1558194879 BYKCQBGQOMNSDM-DOMZBBRYSA-N 419.425 1.979 30 10 HDEE Cc1ccc(-c2cnc(CCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)o2)cc1 1558805082 DNRODPZAUWODNX-UHFFFAOYSA-N 405.414 1.800 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1=N 1567946627 SDJQMGFDFIKVHR-OAHLLOKOSA-N 402.480 1.282 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCCN2CCO)cc1B1OC(C)(C)C(C)(C)O1 1569435254 CPFOPIVYRVJRFZ-GOSISDBHSA-N 402.344 1.871 30 10 HDEE CCOC(=O)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1583137047 NRKQZGQKXYKIBT-LJQANCHMSA-N 421.519 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1584792564 KVYVCKZDDREPAQ-UHFFFAOYSA-N 414.506 1.969 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 1586573708 URUHZZPHHDLPEX-QGZVFWFLSA-N 401.511 1.766 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587614988 QCLYCTYYLFQIRW-ULQDDVLXSA-N 423.500 1.539 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1588014054 IOJLCTUBRXCFGL-MAUKXSAKSA-N 413.478 1.625 30 10 HDEE C#CCN(c1nnc(C)n1Cc1coc(-c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 1588034375 FECHXFDKFRBYNQ-OAHLLOKOSA-N 417.516 1.978 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059371 MYIHCXYJXJIHDZ-OALUTQOASA-N 421.611 1.835 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588059632 RGKYUBVQRDENJK-GOSISDBHSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)c1 1588138599 GHNPSAXGGJRHHD-HXUWFJFHSA-N 405.502 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)C(C)C 1588258652 GLYZBOAZEDYFIP-ROUUACIJSA-N 401.511 1.237 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1588266547 RSXBRXHNYYKURM-SJORKVTESA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1588271540 LODNNRVBOGJRPW-FXAWDEMLSA-N 404.511 1.933 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1588314861 SMTSARTYYYLBRU-WOJBJXKFSA-N 422.533 1.762 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2CC)CC1 1588751548 LYECGZRPPSEFRJ-KNQAVFIVSA-N 416.570 1.170 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1594807447 OYHLALKZRZKOCO-IAGOWNOFSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(OC)c1 1595466050 DBNUPAMESYVFNM-UHFFFAOYSA-N 400.483 1.364 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(C(N)=O)nc2)C1 1595724909 LOXHNBQXUHOREQ-UHFFFAOYSA-N 414.263 1.567 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1611292307 MPZOMADEPMGMGJ-JLTOFOAXSA-N 420.481 1.137 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1 1615666088 CJASYPXWCIESPI-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1615814848 PSWLIYRLKMWRHW-KZNAEPCWSA-N 406.531 1.605 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1615884682 FCVMOGRLBVJZAI-IPMKNSEASA-N 403.575 1.999 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1618096551 BCZYXKPBJRLFSI-GOSISDBHSA-N 422.493 1.911 30 10 HDEE COC(=O)c1oc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1624061689 CIOFCKPINJWXPW-UHFFFAOYSA-N 417.443 1.393 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)c1 1624132972 KGAPDEUCQQXWEH-MRXNPFEDSA-N 406.504 1.193 30 10 HDEE C#CCN(CC(=O)N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C 1624475553 IYDLMYNTLRPTTM-CQSZACIVSA-N 409.508 1.724 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)c1ccc(I)cc1-n1cnnn1 1624821436 MTIGPCJDDGMSCE-JTQLQIEISA-N 410.219 1.889 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1625694597 VCDFFEJXOHJCJF-UHFFFAOYSA-N 409.393 1.727 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)ccc1F 1629158983 MQLXQDZSCZCBJS-FRFSOERESA-N 414.499 1.586 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)c2S1(=O)=O 1629782369 BCZIBBWWSJTNAX-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2cccc(COc3ccccc3C#N)c2)CCO1 1633118462 NIPUBSVTALCJDM-LJQANCHMSA-N 408.458 1.907 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1633560315 YQFZMSKXNABOJW-GFCCVEGCSA-N 402.925 1.541 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1634109392 ZZVKVJZZFBHDJN-RYUDHWBXSA-N 409.516 1.187 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)C3CCOCC3)C2)C1 1634335114 JBJIDYMYOOUOBS-GWWPLSDWSA-N 407.511 1.677 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635471823 PLEPBIUJZNNYFN-VQIMIIECSA-N 421.563 1.689 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1635881628 BZBXONHBAYWARM-HSZRJFAPSA-N 422.460 1.753 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1 1635970608 FVXCEKAKAFKJBZ-CVEARBPZSA-N 412.508 1.612 30 10 HDEE C#CC[C@]1(C(=O)NCc2cn(CC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1636509936 JOUCSHGKQMGDKI-HXUWFJFHSA-N 404.467 1.378 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1637301985 OOTJXRHSJFVFJD-UHFFFAOYSA-N 409.508 1.872 30 10 HDEE CN(C)c1ccc(-c2cncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)cc1 1640636419 FRTBQPOLLJKYCP-UHFFFAOYSA-N 416.441 1.646 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 1640698355 OXCGENHWRJHVMA-AEFFLSMTSA-N 415.519 1.672 30 10 HDEE C[C@H]1NC(=O)N(CCN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1642603138 QMPJIEVQQVIRMF-CJNGLKHVSA-N 420.311 1.572 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1644198368 DVHFCOFDDRTHMO-BEFAXECRSA-N 405.476 1.059 30 10 HDEE CNC(=O)CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)Cc1ccccc1 1644242902 HICWEEYAKNUVKC-UHFFFAOYSA-N 402.458 1.931 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCC#C[Si](C)(C)C)C2=O)cc1 1645184648 VBWBVVMJLQXLNS-FQEVSTJZSA-N 401.539 1.849 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2ncc(OC)c(O)n2)c1 1646339895 HSMYEAGHZJXYHE-UHFFFAOYSA-N 406.464 1.320 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCC(NC(=O)N2CCOCC2)CC1 1646348169 DQLPDFFMXVBPPR-GOSISDBHSA-N 413.522 1.828 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c[nH]c3cccc(C#N)c13)CCS2(=O)=O 1646626330 TYRBEVOZWQNYTE-DMAKZNTKSA-N 415.471 1.668 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(C(F)(F)F)cnn2C)s1 1647267731 DMGKEAZJUQGPOH-UHFFFAOYSA-N 422.454 1.824 30 10 HDEE O=C(c1cccc(Cn2cncn2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649041792 XCXJWQSDRONEIQ-UHFFFAOYSA-N 405.414 1.844 30 10 HDEE CS(=O)(=O)c1ccc(N2CCO[C@H](c3ccc(C#N)cc3)C2)c(S(C)(=O)=O)c1 1655902133 LILWVTJXDIJPDD-SFHVURJKSA-N 420.512 1.943 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1657322787 ZZFRWIKHNUQEAJ-HUUCEWRRSA-N 407.435 1.798 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(C(N)=O)c1 1664194061 NFSNFWBMGKVALA-UHFFFAOYSA-N 421.519 1.809 30 10 HDEE C=CCOCCCNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1668776710 QZAADKCGOJRBRJ-UHFFFAOYSA-N 410.540 1.727 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1674888257 SJMZENOKCQXARS-CYBMUJFWSA-N 419.956 1.846 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1680910060 SDFOVHDWARNKRT-KKUMJFAQSA-N 401.529 1.674 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)C2=O)cc1 1681300277 FGVJURRCZRDBSB-MOPGFXCFSA-N 423.477 1.184 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1682166983 JEGRYVAUQANXOB-BZSNNMDCSA-N 408.543 1.914 30 10 HDEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1683738872 YTZMWVHQMGOUKD-HNNXBMFYSA-N 413.540 1.656 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 1685267268 VDMFLBHHGQXXDU-IBGZPJMESA-N 407.518 1.662 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)CC2)cc1 1686459302 CYPCYXCUDMAAIK-UHFFFAOYSA-N 402.462 1.766 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1689946892 YPOKYPIUNNJHHD-IXDOHACOSA-N 424.615 1.714 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncnn1C(C)(C)C 1689969216 OYNUFZBHLMVDOJ-UHFFFAOYSA-N 403.494 1.981 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689979842 IDTYRDFVRSDKIK-RDJZCZTQSA-N 419.555 1.180 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(OC)nc1OC 1690022416 DUHYPSVYYBGHTN-UHFFFAOYSA-N 402.458 1.797 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1690037375 VIPYEUZURIEJFZ-UHFFFAOYSA-N 424.530 1.607 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@@H]1C 1690096177 NPEWJJVXNVOSFV-FOIQADDNSA-N 415.450 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@H]1C 1690096178 NPEWJJVXNVOSFV-MGPUTAFESA-N 415.450 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1690096471 ULMOKUKDBCCZNY-UHFFFAOYSA-N 408.462 1.745 30 10 HDEE C=CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690451458 HGECZLVVOIJTHH-INIZCTEOSA-N 401.519 1.483 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCNC(=O)[C@H]1CC 1690726986 RUVGOGQUEBOOMW-OAHLLOKOSA-N 423.564 1.246 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1697011040 GVFKVHHGDDECBK-HKUYNNGSSA-N 423.521 1.829 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)c1 1697302615 GCMYNZCTVQGAFR-IBGZPJMESA-N 402.430 1.492 30 10 HDEE COCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697969431 QUFCXTLJHIUVTM-KRWDZBQOSA-N 424.509 1.529 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1698138648 WJIAHSFDYVDGEU-QVKFZJNVSA-N 416.526 1.753 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1 1704103987 VKPOSNAEPXBWOC-QAHMESRPSA-N 410.514 1.976 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1705551635 PRSKZZSHDKZMRE-OKZBNKHCSA-N 407.584 1.618 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)C 1705583231 SQHPMBFLONKPEP-KRWDZBQOSA-N 407.540 1.120 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1705583801 LGMGPFBIAXSFDU-UHFFFAOYSA-N 419.938 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCCO1 1705588100 VSMSLZZXIXFOND-IBGZPJMESA-N 413.522 1.563 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1705604834 UYZLTEXOAPJOSO-CABCVRRESA-N 408.528 1.244 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1705764089 NKVLJMXAMHGFMU-SFTDATJTSA-N 405.543 1.542 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1705831681 ZPMOKWBPIJXQEQ-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1705873737 UGGRAIVEYHQMHA-KRWDZBQOSA-N 401.559 1.434 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CCOCC1 1705898677 TUGRLFBESYIIDQ-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CC2(O)CCS(=O)(=O)CC2)C1 1705915383 JYUHLBNKQIDTAS-HZPDHXFCSA-N 412.556 1.513 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1706069332 AKZFAESVIRCQRN-DLBZAZTESA-N 403.531 1.078 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1706743275 HBVQDUDZYOKZNW-CYBMUJFWSA-N 422.449 1.565 30 10 HDEE CC1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706947842 FWCBNWYQXCUANY-DCOQFNDQSA-N 400.483 1.687 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1712372671 NODWIMZBEXNAQR-HKUYNNGSSA-N 424.505 1.870 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1712541600 BOYAYGNQHVITOI-YWZLYKJASA-N 414.514 1.718 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1712879924 RDMMEHPCTYPKHD-HOTGVXAUSA-N 400.389 1.970 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2)CCO1 1712883083 KNJARGOCHRGMCU-GOSISDBHSA-N 410.478 1.712 30 10 HDEE N#CCCN(CC1CC1)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1712887501 JEUDOGHOLODJDW-UHFFFAOYSA-N 414.535 1.919 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1722285929 ADEMNKYXSNBVDV-OPAMFIHVSA-N 413.522 1.877 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1722296356 PCUDNDPAXHFPAV-GDBMZVCRSA-N 403.508 1.480 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1722353934 XFBWPIZVJNPWMP-GOSISDBHSA-N 406.490 1.469 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722360788 WDZPSMWWIHXOGL-OAHLLOKOSA-N 415.475 1.818 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N(C)C)Cc2ccccc2C1 1722379492 RBPFGKBHQWBEOW-UHFFFAOYSA-N 411.513 1.907 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)CC 1722406343 XKXLDUYPTNRSJC-SANMLTNESA-N 408.549 1.577 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1722419579 BTMMDJYBOHYJBX-QGZVFWFLSA-N 412.469 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nc(C)cs2)CC1 1722446382 UOWGFAASYRDVRZ-UHFFFAOYSA-N 422.518 1.514 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 1722466940 IUEHDWMEEHANJU-TWOQFEAHSA-N 420.583 1.365 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)C1 1722720211 ILTWNMYQLJQPNP-CVEARBPZSA-N 416.526 1.097 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nnn(C)n1 1722862011 GLAWLQRPARQRHS-CYBMUJFWSA-N 403.454 1.503 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1727866208 YBPXTWAFBHXFEB-JFDDCEBESA-N 422.555 1.707 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1728615172 OQFVMEICXMMGNI-FFZOFVMBSA-N 410.522 1.887 30 10 HDEE COCCN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1730723019 FSGMVTANVGDZJW-ISLYRVAYSA-N 416.507 1.539 30 10 HDEE COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)(C#N)CC1 1730929499 ZSPICXIIZGQUCU-UHFFFAOYSA-N 401.515 1.933 30 10 HDEE CS(=O)(=O)CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)C1CC1 1731006564 JAAYJIOTPWNEHX-ZDUSSCGKSA-N 405.480 1.308 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(N)=O)c2)CC1 1731187159 YFADIOYTFWARDW-GOSISDBHSA-N 410.478 1.782 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC(F)F)CCO1 1731188779 IPNAQJDOHZQXLO-CYBMUJFWSA-N 407.377 1.684 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740595241 AZNXONXFTHOQJB-LJQANCHMSA-N 406.490 1.663 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740636506 SKKISWUXKGCWMU-OAQYLSRUSA-N 412.515 1.130 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCOC2=O)CC1 1740702815 YDUXATABXQEYNN-MRXNPFEDSA-N 416.526 1.600 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1740887784 GGAUCVZTJCCKPG-OAHLLOKOSA-N 413.544 1.240 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1741033658 CSTXLDREJDHRHE-UHFFFAOYSA-N 419.493 1.557 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCOCC1 1741357169 SAKXAWUGRQLGSX-HNNXBMFYSA-N 411.510 1.657 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741571803 HFJHGKMZFAQSSM-ABSDTBQOSA-N 406.506 1.581 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1745801028 AVMKFPSSCTVWSU-INIZCTEOSA-N 418.885 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1748648867 FYRYKPIXGGKNGJ-KSFYIVLOSA-N 405.506 1.860 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1 1748843457 FHLLWGDPVBIOBR-LJQANCHMSA-N 404.474 1.503 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN(C)CCOC 1748888027 LXKHKWHLPOFGQM-UHFFFAOYSA-N 412.494 1.047 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1748892667 USHSJVXNROYVHU-HNNXBMFYSA-N 420.926 1.193 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1749038830 XSOYHFFTOJHTOQ-UHFFFAOYSA-N 411.539 1.280 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1749489270 SUAYNHDSKQUXFW-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749498857 KUIOXKLKGBMVDX-QGZVFWFLSA-N 419.551 1.803 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749723951 DNIDAGCUQFMVFE-QGZVFWFLSA-N 407.544 1.312 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C 1760209768 HSHPTQQKRLOBRX-CQSZACIVSA-N 418.523 1.258 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nnc(C(C)(C)C)s1 1760242754 NKANFCRLOKUSHU-UHFFFAOYSA-N 419.555 1.700 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCCOC)CC1 1760269320 FHQYCUXZKLXWNQ-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)CC1 1760381809 AUVKDTWLJMBKIH-CQSZACIVSA-N 410.544 1.090 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1760400769 NBRGUYNJWIFSKA-KRWDZBQOSA-N 413.526 1.576 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@@H](C)C1 1760445488 LOISFUIHMXBZGI-KKUMJFAQSA-N 417.601 1.811 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1760464953 SKQYPHUIOXXLBN-INIZCTEOSA-N 409.556 1.595 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)C1 1760533873 OHLMVXARDZJKLT-IIBYNOLFSA-N 416.526 1.209 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760818571 IFWOUOQQTNHNRV-UHFFFAOYSA-N 418.523 1.106 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1760844703 QZYVRUWNZLKKON-UHFFFAOYSA-N 415.542 1.806 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cs1 1764652614 HEQKUCRAARKTHD-CHWSQXEVSA-N 408.553 1.843 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1764672551 DSEHJMMVRPWKHC-IBGZPJMESA-N 418.477 1.211 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1766983550 JHHWYQYGKJVTFA-QBNCKDSPSA-N 423.477 1.015 30 10 HDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CCOC1 1769781073 HMAWVKYIKIMDNW-DYESRHJHSA-N 413.478 1.759 30 10 HDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)CCO1 1770748182 CJWIGTXSHBOUAL-APWZRJJASA-N 415.494 1.863 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)CCO1 1771536834 CQNMNKJJNMSRJU-IBGZPJMESA-N 417.473 1.334 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)C1CC(=O)NC(=O)C1 1848821720 MWGQNVBICAUQCG-GOSISDBHSA-N 416.474 1.091 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)NCC#CCN1CCc3ccccc3C1)CS2 1850325388 HRMRVKVQSSXCBY-IBGZPJMESA-N 408.527 1.452 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 1851225049 FQDBCPLCANBHBU-IEBWSBKVSA-N 410.474 1.709 30 10 HDEE N#Cc1cnc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(Cl)c1 1851442443 PVOFLVDPYIFVDB-KRWDZBQOSA-N 418.906 1.887 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(CN3CCS(=O)(=O)CC3)cc1)C(=O)C2 1851877454 FFOBETBCKBVOJF-UHFFFAOYSA-N 409.467 1.518 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3ccc(C(C)C)c(C)c3)C2)NC1=O 1851879481 MYGXUHLAZCJEDX-AWEZNQCLSA-N 410.474 1.792 30 10 HDEE N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 1852097120 MUONDKQPWSYASY-RBUKOAKNSA-N 404.474 1.573 30 10 HDEE Cc1cc(F)ccc1-n1nnc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1C 1852508222 LOADBKRNLNVKLY-UHFFFAOYSA-N 406.425 1.647 30 10 HDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCC(NS(=O)(=O)C4CC4)CC3)cn2c1 1853332816 WNGVYKGKBKCVOF-UHFFFAOYSA-N 407.883 1.546 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C(=O)C2)C1 1853611264 PAROEVKBHZZJIU-APWZRJJASA-N 414.481 1.110 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC5(COC5)C4)ccc32)c1 1853925461 PINAHYSKTSKGLB-UHFFFAOYSA-N 423.450 1.309 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cncc(F)c4)C(=O)C3)C2)cc1 1854214049 BBDUEIHHDAAYDR-HXUWFJFHSA-N 407.449 1.651 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854449642 NWMIILSMOWXQQP-JKSUJKDBSA-N 410.540 1.086 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1854658050 CRZCVNMKVXHPBZ-YOEHRIQHSA-N 416.547 1.794 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1854721933 BSDZDLYKJLMXEB-GFCCVEGCSA-N 417.409 1.551 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1855014390 FKUJMFJYVKHGQJ-SJLPKXTDSA-N 401.511 1.591 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)[C@H](C2CCOCC2)C1 1855034973 XOJKLVNRRCATKA-RTWAWAEBSA-N 410.518 1.732 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1 1855235587 ANZOLTPWKZLYAY-ROUUACIJSA-N 403.523 1.453 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1 1855552550 GZDOYWVVTWXGMQ-SFHVURJKSA-N 419.547 1.643 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855735722 RRWLKTUFWNXUSH-HNNXBMFYSA-N 413.455 1.385 30 10 HDEE Cc1cc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)no1 1856559935 HLUWQYHSYYAGLJ-HXUWFJFHSA-N 407.474 1.343 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)Cn4cccc4)C3=O)CC2)n1 1856974888 HOKZPUBHQOBUQA-LJQANCHMSA-N 407.474 1.673 30 10 HDEE C[C@@H]1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1856987928 CJIKAMQIVISDQW-QAPCUYQASA-N 403.504 1.127 30 10 HDEE Cc1ncc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c(C)c1C 1857043449 RHBZFHSSXZISAK-KRWDZBQOSA-N 418.519 1.561 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(F)(F)OC(F)(F)C3)CCC2=O)CC1=O 1857349756 LOCQOYAYPWFCGY-CHWSQXEVSA-N 421.391 1.304 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1857362609 YESUEOXEXWNQAC-AVRDEDQJSA-N 414.481 1.368 30 10 HDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCOC2)CC1 1857375504 ZMINURZGAPAHDR-OAHLLOKOSA-N 417.487 1.453 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)COC)nc1C 1858727486 KCHSKZFOVLALSO-UHFFFAOYSA-N 420.447 1.792 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862751164 JZXHIYALQXHXPD-MRXNPFEDSA-N 400.343 1.577 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@@H]1c1ccc(O)c(O)c1 1864014929 GIITXDMOVDHMQO-NSHDSACASA-N 410.352 1.847 30 10 HDEE O=C[C@@H](O)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866087332 AKMPOQXDORLIMC-RTBURBONSA-N 413.426 1.298 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868599405 XXCMSNWNFXJEAR-IEBWSBKVSA-N 420.531 1.445 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868740138 DDGGAFYDDOLJPG-HNNXBMFYSA-N 421.519 1.514 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868819455 HZKBNGIEVLTOHP-CVEARBPZSA-N 402.582 1.640 30 10 HDEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933413 GIPVSSIBEXYFEA-KSSFIOAISA-N 420.535 1.269 30 10 HDEE CN(C)CCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933634 KXIAAVNIBWMDRN-QGZVFWFLSA-N 418.494 1.153 30 10 HDEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)c1 1870151058 KTTNSJRJKHEWFD-CQSZACIVSA-N 409.450 1.601 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871621461 LASXHASMCLAVIM-UHFFFAOYSA-N 413.482 1.902 30 10 HDEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626562 WCYWKOKSBTZPTF-UHFFFAOYSA-N 416.489 1.932 30 10 HDEE C=CCN([C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CCC 1872271660 RZYSMFDBMIHGNT-KRWDZBQOSA-N 408.568 1.993 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccccc1O 1874295215 PGVMZIBQHQWBCH-KEBDBYFISA-N 412.431 1.942 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc[nH]1 1874433697 SZRPTEIZEZUSEX-ODCIPOBUSA-N 401.452 1.126 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1890082960 YXNBQLGBJGQRSP-UHFFFAOYSA-N 400.479 1.467 30 10 HDEE CN(CC1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)CC1)c1ncccc1C#N 1890949983 JYHYALLIJUARNB-QGZVFWFLSA-N 405.524 1.052 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1902547151 VGAGRBGWAMPXLA-CQSZACIVSA-N 409.336 1.890 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)COC1 1985102980 ONVXOXXDJOODAG-BTTYYORXSA-N 408.304 1.831 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2141611392 GRTCJBZZVZIAHI-MGPUTAFESA-N 422.478 1.455 30 10 HDEE CC1(C)OB([C@@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)OC1(C)C 2154439694 JJMDHERKDWYNLV-CYBMUJFWSA-N 407.363 1.452 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)O 2166303655 HLOFHKHBXFFSCR-CYBMUJFWSA-N 403.501 1.748 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1 2174783206 ZLFIQIDQDMRQIK-ZNMIVQPWSA-N 402.517 1.129 30 10 HDEE CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC(C#N)CC1 2174783243 ABZICZGLJZXOAV-LBPRGKRZSA-N 414.450 1.854 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@H]1C(F)F 2174789115 MQTSIFCDLILRIP-JHJVBQTASA-N 408.471 1.557 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)Nc2nc(Cl)ccc2C#N)C1 2197803141 WAKWNFFBNHUUNK-NSHDSACASA-N 414.871 1.579 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2199850738 DFEXLSYSTYEIDW-QIJUGHKUSA-N 418.490 1.579 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)o2)OC1(C)C 2243423338 XJFOPXKYOPCSRN-UHFFFAOYSA-N 402.178 1.329 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247819490 HJPHNXYTUQQQND-UHFFFAOYSA-N 424.282 1.398 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2247832827 WBCYLSULUKTGNU-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247841840 XUYBQEYJLVRLOH-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cn1cc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247914997 UPESXUSLEVOMGE-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@]3(C)CO)cc2Cl)OC1(C)C 2267357924 CGBNFHPLPKMIJB-OAHLLOKOSA-N 407.750 1.846 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267719145 DEUNDVSKMSTKPK-VIFPVBQESA-N 410.128 1.952 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1O 2282326193 OWQUOUNPDXMYPZ-STQMWFEESA-N 401.359 1.747 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1C 2282330510 AKMUXWPHUYPOKF-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](N)[C@@H](C(F)F)C3)c2)OC1(C)C 2282331399 MVDPKCIZSYPGMS-WDEREUQCSA-N 408.301 1.260 30 10 HDEE C[C@H]1[C@@H](C)SCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282345188 YLNLSDYKXCDHMA-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCCN2CCCC2)OC1(C)C 2282415224 DSYXKFFVAMUPDP-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE CC1(C)CNCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282490757 KRPCETMZSPVYEV-AWEZNQCLSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282493675 XPVFEOFEAOWQEA-BXUZGUMPSA-N 401.721 1.641 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282495033 GSAOFGRIXUHOLC-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE C[C@H]1CNC[C@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498713 IFFWCEQZTWQZBW-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCP(C)(C)=O)OC1(C)C 2282500629 ZLNRUIASAVMTMX-UHFFFAOYSA-N 422.318 1.875 30 10 HDEE C[C@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503750 FIPWLMUPFUCGOU-RYUDHWBXSA-N 400.737 1.749 30 10 HDEE CNC(=O)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504036 JBDUTRZKZKSQQP-UHFFFAOYSA-N 402.709 1.006 30 10 HDEE CCCN(CCCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506607 VBZOBZNDJZYTJM-UHFFFAOYSA-N 403.375 1.972 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282512047 QRQTXAHIHZYUEZ-XELLLNAOSA-N 421.415 1.624 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282662542 CEOILUASIHWXKN-SANMLTNESA-N 421.777 1.826 30 10 HDEE C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836372 IXBNAQCXLGLFOL-VXGBXAGGSA-N 402.347 1.117 30 10 HDEE CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282847691 CHBRNVYWTMAQMJ-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282849353 ACCXYMNZGUTNAE-LLVKDONJSA-N 401.315 1.231 30 10 HDEE C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852663 SBWNLHZTCAKUAN-STQMWFEESA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCCC[C@H]3C3OCCO3)c2)OC1(C)C 2282864121 ZERADOOLFUCNKN-INIZCTEOSA-N 424.328 1.297 30 10 HDEE C[C@@H](O)C1(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CC1 2282874721 FIYQNXPXZUFVFK-LLVKDONJSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2CC[C@@H](N)C2)OC1(C)C 2282883708 DYLYUVQVFGTNOH-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CSCC[C@@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284428471 QQVGZZZRWUEUEB-SNVBAGLBSA-N 400.331 1.687 30 10 HDEE C#CCN(C(=O)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2286841394 NZSDSMSMEYNEMP-CABCVRRESA-N 400.541 1.965 30 10 HDEE C[C@H](O)CN(C1CCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2288012067 ZQUYTTMDBOIYEI-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2329056775 UYIRBWWVCXETEZ-CYBMUJFWSA-N 405.480 1.380 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(Cl)ccc1O 2330743806 WCGBEPXWCZNRTD-UHFFFAOYSA-N 424.914 1.774 30 10 HDEE C[C@@H](C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2343822251 KYBVFKKNAHYVDL-VIFPVBQESA-N 407.750 1.750 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367832768 CMHJXWMPPKCRDO-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE CC(C)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2370843241 QHJQCEOJEPZGHC-QWHCGFSZSA-N 401.359 1.827 30 10 HDEE Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n(CCC#N)n1 54537991 GOKORHOCEYCCIL-UHFFFAOYSA-N 417.491 1.687 30 10 HDEE C[C@]12C=C/C(=N\O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@](O)(/C(CO)=N/O)[C@@]3(C)CC(=O)[C@@]12F 96031600 XYIJJDWYOGFTMF-KBLSQLQUSA-N 422.453 1.351 30 10 HDEE in-vitro CCOc1c(Cl)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1OC 169883670 ASZOKIHVCPJAPQ-LSCVHKIXSA-N 412.855 1.887 30 10 HDEE CC(C)N(CC1CCN(CCO)CC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208092347 BGHQDDVXWQEBMS-UHFFFAOYSA-N 404.364 1.695 30 10 HDEE C=CCOc1cc(C(=O)NCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc2occc12 222465271 URLMIRVFBWFGSU-UHFFFAOYSA-N 409.402 1.201 30 10 HDEE Cc1ccc(Cn2c(NN=Cc3cccc(O)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254310288 VMCSNAHYDJQAKM-UHFFFAOYSA-N 418.457 1.942 30 10 HDEE CC[C@@H](/C(N)=N/O)n1cnc(I)c1I 306877968 CPDHPSSKVQTWBO-BYPYZUCNSA-N 419.992 1.790 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC(C)(C#N)CC2)cc1C 430283924 KCDYGAWNJZTVLJ-QGZVFWFLSA-N 420.535 1.368 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)N(CCC#N)CCN1CCOCC1)CC2 432494168 YWFIDHYMYIAMTL-UHFFFAOYSA-N 416.522 1.136 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC1(CC#N)CC1 435954361 CGRSXZDSPQTMMT-SFHVURJKSA-N 421.519 1.961 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)c1 444475023 JGDHBBAQQYIDQD-UHFFFAOYSA-N 404.477 1.953 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OCCO)c1 446716593 KETQETBGQBBQQE-AWEZNQCLSA-N 403.460 1.543 30 10 HDEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 448036650 ZQMUIQGYZKAXIC-UHFFFAOYSA-N 413.496 1.665 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460773779 LODVGBPRBMCROK-UHFFFAOYSA-N 403.445 1.343 30 10 HDEE COc1cccc(N2C[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)CC2=O)c1 481045184 WODWWYHRICBIBT-HNNXBMFYSA-N 403.435 1.931 30 10 HDEE N#Cc1c(CCCNC(=O)C2CN(CC(F)(F)F)C2)nn(-c2ccccc2)c1N 488693519 FTYJLRGAZSYAGL-UHFFFAOYSA-N 406.412 1.869 30 10 HDEE COc1ccccc1CN(CCO)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 489193490 FABUTZXZEADTAL-UHFFFAOYSA-N 413.478 1.006 30 10 HDEE Cc1cc(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)nn1CCC#N 501307957 HSCFPRHVFOTZDX-UHFFFAOYSA-N 414.491 1.714 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 505187380 LFQBJNUUBKFUJV-IRXDYDNUSA-N 418.519 1.119 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NCc3cnc4ccc(C#N)cn34)c2)CC1 512609924 SSELFUIIZWBXAC-UHFFFAOYSA-N 410.503 1.754 30 10 HDEE CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 525491738 YIZLPOMXCPAMFW-JQHSSLGASA-N 418.519 1.388 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CCC(=O)NC(C)C)nc1C 526912509 XPVYNVYZMNCLMQ-SANMLTNESA-N 401.510 1.396 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1Cl 539385473 RXIZEXFHYWTMJN-DOMZBBRYSA-N 404.897 1.226 30 10 HDEE CO[C@H](C)c1noc(CN(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n1 540551724 QKPYVQHQJBMEBA-HUUCEWRRSA-N 418.523 1.679 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)n1 546926501 LVPIDEDWYOYBBK-OAHLLOKOSA-N 413.869 2.465 30 10 HDEE N#CC1(c2ccccn2)CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 548798624 IMPJVGOBWWKBQZ-UHFFFAOYSA-N 423.542 1.985 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 549682267 XYIRITMVNMTWAD-ZWKOTPCHSA-N 418.542 1.075 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2CCCOC)c1=O 559152822 QWZGIADHLVHVMK-UHFFFAOYSA-N 400.504 1.035 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCC(CNS(C)(=O)=O)CC3)c2c1 563242102 LFYROPZZYYWWPU-UHFFFAOYSA-N 404.492 1.889 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 571007409 KHDYBDWNEVAEIB-ZIAGYGMSSA-N 401.558 1.129 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1 576985454 UXEPCSWRVQNPOL-UHFFFAOYSA-N 401.485 1.156 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)c(F)c1 585685796 UWHPNJQGKKVOEP-UHFFFAOYSA-N 402.470 1.465 30 10 HDEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CN(Cc2ccccc2)CCO1 586863875 COFLDLMUULJIGK-HRAATJIYSA-N 424.476 1.719 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CCCS1(=O)=O 588113913 ACOICXZJVRCPSW-UHFFFAOYSA-N 422.326 1.025 30 10 HDEE CC(C)OC(=O)[C@@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 609889260 HLHZCUALFJTGMO-SJORKVTESA-N 412.446 1.706 30 10 HDEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)sc2nc3n(c(=O)c12)CCC3 619105728 JVUICMRIPCPDTE-UHFFFAOYSA-N 420.498 1.942 30 10 HDEE N#Cc1c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc2c1CCNC2 703969870 MSOOUMOGIDPJJT-UHFFFAOYSA-N 416.484 1.303 30 10 HDEE C#CCN(C(=O)CCOc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 729331023 ITZIWOYQWQOBOC-CQSZACIVSA-N 400.294 1.867 30 10 HDEE CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730144240 IONQSCNUHYIMAX-OAHLLOKOSA-N 405.524 1.195 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1ccco1)N1CCCCC1 732439039 DMQYXSBNGDVXQK-AMGRQBIBSA-N 401.467 1.632 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3nccn(C)c3=O)CC2)cc1 745945237 COHXFMWGXLICTC-SFHVURJKSA-N 408.506 1.546 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 763605280 INKIBDGWANDOCW-NVXWUHKLSA-N 406.527 1.803 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCCC(F)(F)F)cc2C1=O 766688893 PBCKXAQOMXHYGZ-UHFFFAOYSA-N 404.366 1.871 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766770067 VDNZWJKOENAJLX-NVXWUHKLSA-N 417.462 1.979 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cn1 772280751 ZIETWLOLDVOJNV-MRXNPFEDSA-N 410.499 1.258 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cnc3c(C)cccn3c2=O)cc1 773769485 IQAIJYBJLODHSL-QGZVFWFLSA-N 404.426 1.693 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC(C)(C)O)C1=O 774273977 QURXAHCYHKCGGN-MRXNPFEDSA-N 424.542 1.986 30 10 HDEE C#CCN(C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)[C@H]1CCS(=O)(=O)C1 777992090 NPCCDQSYYXXWNE-FZMZJTMJSA-N 405.442 1.815 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786686539 BFTYFJCFDVIZMG-AWEZNQCLSA-N 413.496 1.328 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C\c2ccc(F)cc2)n2nnnc2C)n1 790105796 ZNJBAJGWNQJZAO-XSFVSMFZSA-N 423.452 1.624 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(C[C@@H]2CCCO2)C1=O 790747726 QGXDTNZMAGMMEB-LSDHHAIUSA-N 410.565 1.927 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 791149084 QDEAWYSFYSDVPY-LJQANCHMSA-N 414.483 1.518 30 10 HDEE CCN1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 792252841 DIJBUCGKVCWTDG-HEHNFIMWSA-N 421.523 1.933 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 793004033 KGHXXPHGUWKSOT-BPNFLLTHSA-N 406.446 1.554 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2=O)n(C)n1 796290237 KEHCSFNHGFCWBL-INIZCTEOSA-N 412.450 1.462 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cnn(C)c1 796385366 SOGGDVOUZMRAEI-IAGOWNOFSA-N 402.499 1.527 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 813535857 DVHPUUOSSTXSBO-UHFFFAOYSA-N 400.389 1.702 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 858004513 BGDWMFMEAOYGTJ-QIAWRQBBSA-N 417.487 1.305 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCCc1ccccc1 1084138217 WUBXVFDKPKVVTL-UHFFFAOYSA-N 411.491 1.595 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1127161100 JOBGDUCPAARYRO-GFCCVEGCSA-N 420.447 1.271 30 10 HDEE CC(CO)(CO)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1141466412 PYRJIQBOYJJGDW-QGZVFWFLSA-N 403.479 1.500 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C2(C#N)CCSCC2)C1 1142596523 DVCREBUSYUAWLV-OAHLLOKOSA-N 424.567 1.903 30 10 HDEE C/C(=C/C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)CN1CCOCC1 1146298608 NEKULBFCVKJQIT-JXAWBTAJSA-N 420.517 1.875 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](OC)c1ccc(Cl)cc1)c1cc[nH]n1 1147971534 ZHHIUMKLERYUSS-HNNXBMFYSA-N 408.842 1.851 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OCC(=O)Nc3ccc(OC)cc3)c(OC)c2)C1 1158397163 ANJRYEKRIXLLQL-UHFFFAOYSA-N 410.426 1.541 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CCF)C(=O)OC 1164508291 XWIQAWKCRXHPGJ-UONOGXRCSA-N 413.471 1.301 30 10 HDEE CCCCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1169678141 GURXXQXIOPJJFA-UHFFFAOYSA-N 407.312 1.995 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CCN(C)CC1 1231110282 UUAROASCJJEZQY-FCHUYYIVSA-N 423.561 1.324 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c(O)nc1=O 1255256831 YPTVCDKAVQDBPV-QGZVFWFLSA-N 411.462 1.859 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1286275089 MUJLDLWLMAOFGQ-GCKMJXCFSA-N 403.527 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sccc1C 1286419679 COLLOSWZVOISJF-INIZCTEOSA-N 419.576 1.964 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN2CCN(CC)CC2)CC1 1286472479 UCYPTIIOPVMSBC-HXUWFJFHSA-N 401.603 1.574 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2OCC[C@H]2C)CC1 1286491620 ZHBVRWVDURAQLE-YLJYHZDGSA-N 422.533 1.655 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286509716 WXUROSDDRSSQGC-CQSZACIVSA-N 410.503 1.683 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COC)CC1 1286563223 VAGLRXOGHRVORX-LPHOPBHVSA-N 414.510 1.549 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286628368 GVGQGLRTJITPPQ-ZDUSSCGKSA-N 403.936 1.395 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1286718539 NEVDSEMSAAHMTB-UHFFFAOYSA-N 407.540 1.979 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(C)(C)C)CC1 1286787479 GPAUYKFOKYFGCY-HNNXBMFYSA-N 421.567 1.665 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)C1 1286803524 DBMKVEAXHDSZKP-HNNXBMFYSA-N 406.512 1.037 30 10 HDEE CC(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1286894495 GPSLVWOJHRWYJU-FQEVSTJZSA-N 417.473 1.999 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1287090075 WFVXPTKYISDJSK-YYWYGQEZSA-N 419.526 1.465 30 10 HDEE CC(C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287204075 NEDBBBBTLCZOGD-TXSJJRPESA-N 400.483 1.545 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCCO1 1291279176 JNAGHHRWNJTHRD-NVXWUHKLSA-N 410.478 1.623 30 10 HDEE CC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1293519204 UITGXAIJSYJUSE-NHWLHPCLSA-N 402.499 1.932 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1298542948 HAPNPUCVLFDQHN-XYGUXCPDSA-N 410.459 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1300309010 ROAJSFHLHHLMRU-VXGBXAGGSA-N 410.487 1.934 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1300370683 BDCPQQVUYBLQOT-SFHVURJKSA-N 414.554 1.947 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300372178 AYUPYGNTNDAIRZ-IBGZPJMESA-N 416.570 1.751 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300430560 OBVGBAUPIYNGSJ-IFXJQAMLSA-N 422.482 1.176 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1300483148 IDJZHZBXJZTTRY-WMZOPIPTSA-N 419.595 1.687 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1300601337 GDLOZOXLYQUHFE-ZSZQSSIHSA-N 409.556 1.553 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1300635741 VFQXDCAOHHAMGI-UHFFFAOYSA-N 406.490 1.194 30 10 HDEE Cc1c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cnn1-c1ccc(O)nn1 1300987896 DZJHJZWUEHVABR-UHFFFAOYSA-N 404.430 1.984 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1301092478 UXFLDKFTZOPLRP-MRXNPFEDSA-N 407.540 1.382 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1301180726 DOQAENXEBLOPBT-UHFFFAOYSA-N 409.471 1.398 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301497971 HQDFQYKAEVMKBE-CYBMUJFWSA-N 400.449 1.921 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H](O)C2)C1 1301535732 NOZGQMFPELPISX-FGTMMUONSA-N 403.527 1.847 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C#N 1302674898 UXNNEVNDAOFUGJ-OLZOCXBDSA-N 408.480 1.481 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 1303410414 MNNRTZZLJXUUPN-BBWFWOEESA-N 417.531 1.993 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1304722817 CSUYKPSENSPZFX-KRWDZBQOSA-N 404.478 1.527 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1F 1309496054 FTMTWZHUECRTGF-VXGBXAGGSA-N 405.373 1.729 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@@H](C)[C@H](C)N(C)C(=O)[C@H]2C)c(C#N)cn1CCOC 1310523780 AEAMAKNFOPEEON-MELADBBJSA-N 419.482 1.654 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1316045136 KLPYAYNWASEULI-INIZCTEOSA-N 419.507 1.389 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(I)cn1 1351737186 YMRVRMNDGJMZMM-UHFFFAOYSA-N 424.202 1.370 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCNC(=O)C(C)C)c1 1358902387 MLZBZEKLRRPPKL-UHFFFAOYSA-N 408.506 1.984 30 10 HDEE C#CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1358935422 IGVSEDMMKSWQGO-VQIMIIECSA-N 410.540 1.357 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1358960132 YAWUHGPVPRRSEA-HNNXBMFYSA-N 418.494 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1cccc(C(=O)NC)c1 1358991624 JKGNREZBUUVQLF-UHFFFAOYSA-N 413.485 1.800 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)CC1 1359158776 DUFRPGMZKHRLEL-JKSUJKDBSA-N 408.572 1.529 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359188585 QPFMZJCYCHNMDG-CVEARBPZSA-N 423.583 1.745 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1359227149 UVQLQXRLRHPBCJ-INIZCTEOSA-N 405.499 1.208 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359292466 PVCHKWCPRWGGOZ-HZPDHXFCSA-N 424.571 1.098 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359299447 FSNJEGNLHWNTKN-CSODHUTKSA-N 419.526 1.249 30 10 HDEE CC(C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1360110638 SJQUKSFHSBBDOP-PKOBYXMFSA-N 401.559 1.689 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2-c2ccccc2)C1=O 1438628066 NAJAIRCCJAJBCG-UKRRQHHQSA-N 407.430 1.911 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1443909390 JDEQAWNNHRNKTE-NSHDSACASA-N 406.489 1.888 30 10 HDEE CN(C)C[C@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446586348 MIYZJJYKVHIOQW-PGRDOPGGSA-N 416.522 1.821 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1Cl 1448367710 DWUCJBAOEJLBGX-DZGCQCFKSA-N 411.853 1.798 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(CC4CC4)nnc3C2)s1 1452865916 UQHGNGOLOBSLSR-UHFFFAOYSA-N 421.548 1.341 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N(C)c3ccccc3)nc2)CC1 1455115287 NIOJWMMPDOIPOC-UHFFFAOYSA-N 413.503 1.075 30 10 HDEE C[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1456735484 PZTJFEIAWRJFGC-FZMZJTMJSA-N 408.524 1.951 30 10 HDEE Cc1csc(CC2(O)CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 1460411745 SFLARGNPNFWYEM-GOSISDBHSA-N 419.595 1.513 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCO[C@H](c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1460857864 JRAOQAJVQUEPSH-DBVUQKKJSA-N 419.547 1.746 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OCC 1464378846 DSWGUQMZXFWPJB-GFCCVEGCSA-N 402.856 1.847 30 10 HDEE CS(=O)(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 1465220609 HVMFERFIPRBJCY-OAHLLOKOSA-N 401.448 1.901 30 10 HDEE CN(C)CCN(C(=O)C1(c2ccc(C#N)cc2)CCCC1)[C@@H]1CCS(=O)(=O)C1 1465665914 LLICRWUXRIOIOO-LJQANCHMSA-N 403.548 1.947 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCCO1 1468801765 HPJORBXSBOSETI-INIZCTEOSA-N 402.447 1.909 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NOCc1ccccn1 1468834133 SNOJXPQJEDRSTG-INIZCTEOSA-N 402.476 1.927 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)cc2C1=O 1469972584 VKSQRTWZFPWMRM-LJQANCHMSA-N 419.481 1.965 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)CC1 1470890475 WBLMWZBTVKBTMU-HXUWFJFHSA-N 404.536 1.149 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1471535142 CNIPMHQSWAGRRD-GFCCVEGCSA-N 417.325 1.947 30 10 HDEE C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1472261242 HMCYJYUMSRRVBW-QGZVFWFLSA-N 405.520 1.477 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1472299815 AFHWJTSMKLLSME-OLZOCXBDSA-N 423.901 1.837 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1473867771 WZAUOHCXOVWRCQ-LJQANCHMSA-N 422.407 1.591 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H]3CCCO3)C2=O)cc1 1478568732 QTFYUGXPYWKKJV-UFYCRDLUSA-N 412.490 1.639 30 10 HDEE CCC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499960692 JWINPDQZQOMPTP-SPLOXXLWSA-N 412.494 1.868 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1502681285 GEASFVMQJZNMCA-ROUUACIJSA-N 404.450 1.041 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1507652382 FXLLNWTUWVBXJE-YOEHRIQHSA-N 415.519 1.662 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1507663984 MWMXNLYJHYMQIG-GOSISDBHSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1507670426 LBZDJRXXVUZPMC-JOCHJYFZSA-N 413.472 1.677 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(CC)C2)CC1 1507722830 KREDPCNYZKGABX-FQEVSTJZSA-N 403.534 1.914 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1507759417 HBEYKKXRIQWAGX-JOCHJYFZSA-N 414.554 1.617 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507850554 NUGKNIPSKNOAKR-GOEBONIOSA-N 408.934 1.424 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507917105 YMVUITPUDQOPDW-LSDHHAIUSA-N 423.539 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508120036 XVQFBYWLSZSJER-CVEARBPZSA-N 420.539 1.479 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccn(C)n2)CCOC1 1509819348 ULSUWMRVVVQZOY-YLJYHZDGSA-N 415.498 1.024 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1510170941 XSOZUFWXTBRYIL-UKRRQHHQSA-N 422.511 1.407 30 10 HDEE CCN(CCCn1c(-c2cnccn2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1515710489 BPYCLAZTXGPYNL-AWEZNQCLSA-N 406.516 1.003 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1515958033 FOGQLLJOGQLFMD-HNNXBMFYSA-N 423.521 1.646 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1cnn(C)n1 1519294389 KEBORNKARHJFKI-JXFKEZNVSA-N 416.530 1.893 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CSCCC(=O)OC)c2)C1=O 1521148202 AVXLPCWGFMVXID-UHFFFAOYSA-N 419.459 1.398 30 10 HDEE C=CCn1cc(CNC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)nn1 1526049958 SQUIXYKTKYJVRJ-UHFFFAOYSA-N 417.535 1.464 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c1 1527211603 QSWNWJOIBFEECV-VCVJJXFASA-N 422.507 1.251 30 10 HDEE C=CCN(C(=O)Cc1ccccc1S(=O)(=O)C(F)F)[C@H]1CCS(=O)(=O)C1 1530303220 KPZJOVFESFRRRZ-ZDUSSCGKSA-N 407.460 1.427 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1539005596 SPLAVJPDVKPKBC-HOCLYGCPSA-N 401.492 1.161 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](COC)OC 1539145157 GOBFZXSKOOJHQN-INIZCTEOSA-N 405.886 1.592 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnn(C)c1 1539190947 XSUHLFFLFTYFDK-UHFFFAOYSA-N 418.549 1.494 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1 1539259823 HZVGDHDJFJTCMJ-QGZVFWFLSA-N 406.490 1.923 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCC1 1539323990 NSCWVCQQNSGOII-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](F)COC 1539390245 NTBKQPLSEHGILM-SJORKVTESA-N 403.433 1.993 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC2CC2)CC1 1539454263 KSAPZEYOMUPJIY-UHFFFAOYSA-N 420.561 1.735 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC=CCC2)CC1 1539466555 BNCUYJWSJAYHHP-QGZVFWFLSA-N 412.538 1.738 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CCC2)CC1 1539475618 JXQCIVFMQYUDSF-UHFFFAOYSA-N 411.481 1.965 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC=C(C)C)CC1 1539488009 DOFVYHSXDCWABV-UHFFFAOYSA-N 412.538 1.723 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540867263 PVMVWTQMDINPGV-RTBURBONSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540868432 FKQMUJFNSGILKW-UHFFFAOYSA-N 417.477 1.169 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540881461 JTCPKULKNGFYDC-HOTGVXAUSA-N 416.526 1.210 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1540902882 SWKKRGDXNFSZTD-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1)N1CCOCC1 1541838877 DRMDUEHKNWSQOJ-KRWDZBQOSA-N 420.521 1.907 30 10 HDEE N#Cc1cn(CCC(=O)NCC2(c3cccc(Br)c3)CC2)c(=O)nc1O 1543943930 CHDPJUBJPMDVPN-UHFFFAOYSA-N 417.263 1.821 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(Br)c(F)c2F)C1=O 1544554010 POEQYDCNSYPHSG-UHFFFAOYSA-N 417.162 1.747 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)NC[C@]23COCCN2C(=O)COC3)c1 1544632607 KOOGTBMHUGCVIX-OAQYLSRUSA-N 411.414 1.088 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)C1=O 1545604640 WBKOCXIPBNZVAO-ZDUSSCGKSA-N 410.471 1.163 30 10 HDEE CCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548368099 SKJVVWAUPOLLFF-MRXNPFEDSA-N 412.412 1.767 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1555719631 HKILQCQZPOYKDU-SJORKVTESA-N 413.434 1.594 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(CN4CCOCC4)C3)C2)C1 1556761585 FZBPJQPFGSOLTH-WUZYXKQASA-N 418.538 1.564 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)cc1 1558268087 JDQPZXVLDKJDQG-UHFFFAOYSA-N 421.500 1.115 30 10 HDEE O=C1C=COC2(CCN(CC(=O)NCc3ccc(C(=O)N4CCCC4)cc3)CC2)C1 1560184399 LXDHXNNKKAEMLX-UHFFFAOYSA-N 411.502 1.877 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)C1=O 1561513380 FPSJTHNXUPIFES-KRWDZBQOSA-N 409.483 1.469 30 10 HDEE C#CCC1(NC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CCOCC1 1562465758 QKMAZTGGLKQALO-OAHLLOKOSA-N 406.508 1.814 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1567328148 NTTVFDXRFRTZGY-KBPBESRZSA-N 405.455 1.145 30 10 HDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCOCC1 1585149022 QCEGFVXQQHMSMN-QGZVFWFLSA-N 422.503 1.061 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCC1 1587600518 ZKVYMMQRKWEXCO-KRWDZBQOSA-N 405.510 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1587620629 IKZFXAAWXXTMNK-AYSMAOOMSA-N 422.489 1.190 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588030562 XKWMEACJYMFNDA-YESZJQIVSA-N 424.567 1.254 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588053701 HIOLVLMEUPKEIR-ROUUACIJSA-N 422.551 1.573 30 10 HDEE C=C(CO)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1588119634 ZHVFPLUAIKFKSD-YBEGLDIGSA-N 406.460 1.795 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1588751133 IUJJCWAOYHPRGT-AVRDEDQJSA-N 417.554 1.501 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC2CC2)CC1 1595555459 ADKPIFSKGULOBI-UHFFFAOYSA-N 412.513 1.842 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1C(C)(C)C 1595831220 NYPDASHGJWNHRL-CABCVRRESA-N 409.556 1.139 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1596831092 HZJFMUVMDZUYSY-HOTGVXAUSA-N 408.572 1.650 30 10 HDEE CO[C@]1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1598279755 KFUWATOLVACSIN-KSSFIOAISA-N 417.528 1.284 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)CC2)n1Cc1ccc(C#N)o1 1611686390 GCJVSYPZQXNENR-LLVKDONJSA-N 414.438 1.637 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)Nc3nncs3)CC2)cc1Br 1612154753 CCLOQFSDQITNQV-UHFFFAOYSA-N 407.297 1.933 30 10 HDEE N#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 1616360972 GZDRNLQUAFLTNY-GFCCVEGCSA-N 408.249 1.592 30 10 HDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1618292023 BPFYVIGQPFCTMT-UHFFFAOYSA-N 407.478 1.977 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1619990610 WLONCBWSJWLYGR-CZUORRHYSA-N 415.491 1.021 30 10 HDEE N#C[C@@]12CN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@H]1CS(=O)(=O)C2 1620611636 ZZEWSDCGLAWNNW-MJEQTWJJSA-N 413.421 1.681 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1622295052 JDFCPIFAPZFUGE-ROUUACIJSA-N 420.554 1.448 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(-c3nncnn3)cc2)c1 1622304249 KGIVYHNVGMCYFD-UHFFFAOYSA-N 410.459 1.328 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1625165488 OEDJRSFADJBEGJ-OAHLLOKOSA-N 416.455 1.373 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC3CS(=O)(=O)C3)C2)C1 1625304738 FKHAYQKRGUAIAF-XAUUPUKJSA-N 411.524 1.324 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1626183391 FQUHPKYHFUICOB-INIZCTEOSA-N 422.503 1.555 30 10 HDEE C#CC[C@@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)OC 1626187641 DIWBEEWAMOGVMS-MRXNPFEDSA-N 413.499 1.870 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CCO)C3CCSCC3)C2=O)cc1 1626546051 GXXMARMXMAFYLF-KRWDZBQOSA-N 416.503 1.480 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1627302552 CQOKGKNRJZLRSH-HZPDHXFCSA-N 405.499 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)F 1628385632 CCJBMNIPJBDKNU-FIKMJJSBSA-N 402.398 1.178 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1629236019 QCGJDUFBWGWHOA-ROUUACIJSA-N 408.543 1.611 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268590 NHTHADLAMNYNJS-MRXNPFEDSA-N 403.483 1.532 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 1631654028 PRYSVRJFVWIFCY-UHFFFAOYSA-N 419.507 1.425 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)C1CCOCC1 1633277286 KSUXAOWNOATYSR-HXUWFJFHSA-N 419.547 1.840 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1633340779 MVZBAQVUDCIUBG-MSOLQXFVSA-N 423.558 1.096 30 10 HDEE C=CCCOCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1633406636 DWNMSSWBLKZWBI-PKOBYXMFSA-N 410.536 1.643 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1634845804 WQLAPWOLMNIKII-FUHWJXTLSA-N 408.543 1.914 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCn3cccnc3=O)C2)C1 1634872697 MUVNHRDBEWEROB-ZGOJQLDESA-N 415.494 1.536 30 10 HDEE N#Cc1ccc(OCC(=O)NCC(=O)NCCN2CCCCC2)cc1Br 1635484707 DWYPAKPKWQQRPH-UHFFFAOYSA-N 423.311 1.418 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC2(CC1)CCN(C)CC2 1641460559 VEEYUWDYVWDDOP-INIZCTEOSA-N 418.563 1.996 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1641521339 QDSQVOCQMBKCLN-UHFFFAOYSA-N 424.523 1.865 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)c1 1642536960 OYRFLZCFNQEVLT-UHFFFAOYSA-N 412.515 1.883 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1 1644638098 IEHNFDNIQLYSKT-QUCCMNQESA-N 405.564 1.902 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cncc(C#N)c2)C1 1645029977 OSAVRCQSQIPUJA-INIZCTEOSA-N 402.480 1.010 30 10 HDEE C=CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H](C)COC 1647736216 AYKOSDPIDGADRH-OAHLLOKOSA-N 408.524 1.619 30 10 HDEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1647926598 OVVPTYPDXNQMSK-UHFFFAOYSA-N 423.535 1.540 30 10 HDEE N#Cc1cncnc1N1CCN(C(=O)c2ccccc2I)CC1 1650659063 FMNLXUBAOHCEJU-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCc3c(cccc3C(N)=O)C2)CC1 1654348247 NIOQNCOMLYUSCN-IBGZPJMESA-N 423.542 1.614 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1655734022 WEOOAAJTBMZEFM-KUHUBIRLSA-N 414.487 1.606 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1656482329 GNAIOIQGHDYDIL-UHFFFAOYSA-N 424.363 1.592 30 10 HDEE C[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CCN1C(=O)c1cscn1 1658894264 XZBSHKMFHWPOOF-ZDUSSCGKSA-N 405.505 1.030 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cncc(Br)c3)C2)cn1 1663438769 GKOKUITWLNXNFZ-CYBMUJFWSA-N 409.265 1.953 30 10 HDEE C=CCN(CC=C)C(=O)CN(C)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1664880079 CAKMSEBRNVMHPA-JRHPMUGDSA-N 401.551 1.781 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@H](CO)c1ccccc1I 1673202580 KTRCDFWVWHDIAY-OAHLLOKOSA-N 415.275 1.579 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2csc(C(F)(F)F)c2)CC1 1674941016 SFJGGBHNJXKWJS-UHFFFAOYSA-N 410.443 1.062 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1676485972 ULWKNMUDBUZEHU-IYBDPMFKSA-N 400.483 1.841 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1680684419 DUMKCTVWQRKOMP-UHFFFAOYSA-N 404.492 1.344 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1 1681325592 FLQJNFZPBUPEDS-GOSISDBHSA-N 422.445 1.765 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689980620 VJUVACDKAQRMDU-IKGGRYGDSA-N 408.568 1.875 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689991901 DRSWCDITIABOLA-QAPCUYQASA-N 408.549 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690251440 VHBZWANMFATEBG-LPHOPBHVSA-N 423.583 1.730 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1690496352 OURKYRMIQNRBCT-WIYYLYMNSA-N 416.526 1.998 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](COCC)C1 1690673725 BRKQVXSNARZIGY-KRWDZBQOSA-N 423.521 1.682 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(F)cc2C1 1690674714 CFMLCKVOLPBSHG-UHFFFAOYSA-N 412.469 1.405 30 10 HDEE C=CCNC(=O)[C@H](C)N1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1700332981 CJQNEWJYYKZNFJ-ROMHJBHXSA-N 401.551 1.805 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1705482216 VBTCYJJHAMQKGC-OAHLLOKOSA-N 417.535 1.675 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1705566710 PNNGZWDWFJOBOD-SJORKVTESA-N 420.560 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705899691 CUNTXYPMDVZKLO-UHFFFAOYSA-N 413.526 1.281 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705901446 LUEDTSINHOIDON-CJNGLKHVSA-N 400.458 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCn2nc(C)nc2C1 1705932364 CSNPXSLLIWZPSB-UHFFFAOYSA-N 413.507 1.466 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1705950392 ZOWGPJUGIJGIHC-DNVCBOLYSA-N 409.556 1.516 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706060797 DDQIQRPFYOCNGW-UXHICEINSA-N 424.505 1.758 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(C#N)o1 1706892683 RJKHYUAXSDKLPN-LBPRGKRZSA-N 408.484 1.016 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1708255155 HUDPMDTXZRRPGU-PXNSSMCTSA-N 410.522 1.889 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1710450804 UACYWKPOVXSXOA-RTWAWAEBSA-N 419.526 1.866 30 10 HDEE CN(Cc1cnccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711109897 IGQQPSPIWOFQCN-HNENSFHCSA-N 408.466 1.183 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1711916512 ICILYUNKEZWHFA-XLIONFOSSA-N 424.505 1.941 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCCCC1 1712566094 KGNFTRBXOGHBDQ-IPMKNSEASA-N 420.558 1.853 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722318294 NOQILZXGJKGENS-OAQYLSRUSA-N 411.510 1.974 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722334692 IGKXOBSEMFLQSJ-SFHVURJKSA-N 421.549 1.466 30 10 HDEE C#CCN(c1nnc(CC)n1CCN1CCCC[C@H]1CC)[C@H]1CCS(=O)(=O)C1 1722364660 ABKPZFKWQPGWAI-MSOLQXFVSA-N 407.584 1.732 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1722369005 UZBJHQLYRHZQDW-GOSISDBHSA-N 416.551 1.539 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1722421553 IEZVEWSYXONYRV-SFHVURJKSA-N 424.480 1.998 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1nc(C)c(C)s1 1722426771 HAQZNVLDENHECV-UHFFFAOYSA-N 416.551 1.803 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CC(=O)N(C)C)CC1 1722438175 NSYIOJSZEFUZAD-UHFFFAOYSA-N 419.489 1.444 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC=C(COC)CC1 1722726930 KIRCSJGNCQDRPC-KRWDZBQOSA-N 410.540 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722728711 XIHUBIZXWBEMLH-MRXNPFEDSA-N 423.583 1.887 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCOC2)CCOC1 1723679056 SYNDEKJKGBGIIL-RTWAWAEBSA-N 419.526 1.600 30 10 HDEE COc1cc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)ccc1C 1729978218 GTHFPKCLMVSXJV-GOSISDBHSA-N 407.478 1.967 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCN(C)C1 1730943221 FRBOJYUKKBSWAV-BBTUJRGHSA-N 418.542 1.199 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCO[C@H]2CCOC2)C1 1731181085 FOEYVPCEQFKKJP-PXNSSMCTSA-N 400.458 1.901 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1731188386 JDZKCJDMNROJQJ-SJORKVTESA-N 405.524 1.655 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCCC 1740599856 GLXNYLMFLRAZDV-IRXDYDNUSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(C)S(=O)(=O)CC 1740603332 OJMRXISMAWORJN-UHFFFAOYSA-N 420.495 1.594 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC 1740657486 SPSXCNAAOWIGRF-QGZVFWFLSA-N 421.567 1.510 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(CC)CCOCC2)CC1 1740690133 HFDDXERQBJTXJY-IBGZPJMESA-N 419.570 1.964 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1740795211 PQKGOZZNMCZUQZ-MRXNPFEDSA-N 413.544 1.192 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740886748 RAXJMQNFLJEEMR-KRWDZBQOSA-N 423.521 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2sccc2C1 1740991105 OOUMWTJTIIPTOM-CQSZACIVSA-N 421.548 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2CC[C@@H]21 1740994888 WBONDFOEOMTLLI-CVEARBPZSA-N 407.540 1.380 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1741133240 PIEGYIGHOOZEET-GJZGRUSLSA-N 410.544 1.397 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741285309 TZLCWHMNSVDRLT-GOSISDBHSA-N 424.553 1.622 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741572202 HBTNGEWMRQOPOT-MBOZVWFJSA-N 406.506 1.928 30 10 HDEE CC(C)N(C)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741608234 GITWAZFCJHCWPC-UHFFFAOYSA-N 419.493 1.610 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1747837748 FDQLZMATKYFEPF-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748000270 KUPGFIPPTFJFFQ-RAJOGRCSSA-N 400.483 1.372 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1748639375 GDUWCVQESQMPJF-LSDHHAIUSA-N 405.524 1.712 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1748711853 ASNZQAJFBKNXHA-HXUWFJFHSA-N 410.570 1.698 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1748765687 QETFZECDXHSUEX-UHFFFAOYSA-N 410.478 1.022 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748811400 GJWLXIHWSMTGBF-AWEZNQCLSA-N 416.532 1.599 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1748825948 JCSKDSPBHBSJSI-UKRRQHHQSA-N 418.523 1.370 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cncn2)nc1 1749557917 OEFIUHVKFXGDLJ-UHFFFAOYSA-N 407.482 1.619 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1749560134 GRKBDFOEFUBPQF-CQSZACIVSA-N 407.544 1.465 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1749650508 ZPRUBVYACBRDDI-WMLDXEAASA-N 418.542 1.502 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCC[C@H]21 1749677523 BQGZLQJYGDLOTH-HUUCEWRRSA-N 414.535 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C(C)(C)C)CC1 1749741291 WRJIALOJBNJYBU-MRXNPFEDSA-N 411.572 1.651 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1750057207 QHXQJDQSLWQBFX-KRWDZBQOSA-N 408.466 1.235 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752347605 QNGWYSKSROLXCR-GFBZJKCLSA-N 416.482 1.271 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760162309 QKIHHUKQHHTSSC-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H]1COCCO1 1760198951 LULKKIHSAWIQEJ-GOSISDBHSA-N 408.458 1.595 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1760224226 CCOMWYJWDLOISS-MRXNPFEDSA-N 410.478 1.928 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1760316035 LMRVDIHCLRGRDG-FPCVCCKLSA-N 410.544 1.465 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC(C)(C)OC[C@@H]1C 1760552215 GTIMQNKUKRWXDC-HNNXBMFYSA-N 407.540 1.888 30 10 HDEE C[C@@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1761514196 APVVKWMFWKCMDH-QVKFZJNVSA-N 412.469 1.944 30 10 HDEE CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764016122 UJVVCTUAYASESU-WBVHZDCISA-N 406.556 1.547 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)CCO1 1767707128 GKQBRRPDLZZUBE-BBRMVZONSA-N 400.508 1.519 30 10 HDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768153447 ZAOMTFSIZXIKFD-LJQANCHMSA-N 423.521 1.460 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H](C)O1 1770940466 IOOIKEWPCJVBNL-QFBILLFUSA-N 415.494 1.456 30 10 HDEE COCCNC(=O)CSc1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O 1772790692 VKIHJEXZHVWQEZ-UHFFFAOYSA-N 414.439 1.909 30 10 HDEE CN(C(=O)c1cnc(O[C@H]2CCOC2)c(Cl)c1)C1CN(c2nccnc2C#N)C1 1848835223 IUWAIYDGHSZMMO-AWEZNQCLSA-N 414.853 1.525 30 10 HDEE O=C(c1ccc(N2CCOCC2)nc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851265694 WSJJLTDPHTYYHU-UHFFFAOYSA-N 420.413 1.792 30 10 HDEE C[C@H]1CC(=NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)NN1c1ccc(Cl)cn1 1851850889 IDVIRDBZBUEEAK-RYUDHWBXSA-N 401.858 1.550 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CC(=O)N(CCc3ccccc3)C(=O)C1)OCO2 1852178262 OAEAPTZTNVGOGP-UHFFFAOYSA-N 405.410 1.270 30 10 HDEE CC1(C)[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC[C@]1(C)C(N)=O 1852520756 BQEXGRMWTMADMN-HTAPYJJXSA-N 413.522 1.546 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C2)CC1 1853680645 LLLRWAHOXJIIHU-MJGOQNOKSA-N 412.490 1.864 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1853689536 LENPSZBOFFJPGC-KRWDZBQOSA-N 411.568 1.750 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@H]1C 1854725875 KQJJTEADLIUBCI-QAPCUYQASA-N 423.510 1.614 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855110358 ODFHVOBDNCAFJI-IRXDYDNUSA-N 402.495 1.608 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)CCCS(=O)(=O)c2ccccc2)C1 1855435836 AUUDTUTURDZSEV-QGZVFWFLSA-N 405.520 1.851 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC[C@@H]1CCCO1 1855958962 HPWFAHNHIFFAGC-HNNXBMFYSA-N 405.476 1.596 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1856388083 AGJXQUOBPBUYBK-KBPBESRZSA-N 404.417 1.827 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1=O 1856901162 AJXGDRLDPJBADU-ZIAGYGMSSA-N 412.439 1.016 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C(=O)CCN(CCC#N)c2ccccc21 1856938082 KXXMNEMUNBLANE-QGZVFWFLSA-N 404.492 1.484 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3c(ccn3C)c2)C1)[C@H]1CCN(C)C1=O 1857263725 ISAHWWDWNUXVAU-JXFKEZNVSA-N 408.502 1.886 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(CC)nn2C 1865224439 FTMNUPJMWXHCEY-QGZVFWFLSA-N 412.490 1.693 30 10 HDEE N#Cc1nnn(-c2ccccc2)c1NC(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 1870150336 CEHPPPIKVWNWPP-CQSZACIVSA-N 416.397 1.829 30 10 HDEE C=CCn1cc(OCCOC(C)C)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870541285 GPVDVUYGURTMOJ-UHFFFAOYSA-N 413.522 1.950 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccccc3)ncnc21 1875227574 FMUAHMCVRKKNMC-UHFFFAOYSA-N 420.517 1.980 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2)c1 1889875677 AZAZBOOPYYFPDQ-SFHVURJKSA-N 401.426 1.857 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1908253895 CEYGFAPCECJQEK-GBJTYRQASA-N 422.331 1.907 30 10 HDEE N#Cc1ncc(Br)cc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2118091681 GLBVYDQYOKWKHR-CBAPKCEASA-N 420.189 1.074 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)CC2(C#N)CCC2)C1 2118168540 FWTHDWZFQRNKQG-RUZDIDTESA-N 405.542 1.975 30 10 HDEE CN(CCS(=O)(=O)N(C)C)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2172712639 BFHJOZISNNRWOF-UHFFFAOYSA-N 403.741 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)[C@H](F)C1 2174784442 NUASZSNBXUCSNX-ZIAGYGMSSA-N 405.492 1.574 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)[C@H]1CCS(=O)(=O)C1 2180116812 FCPPMUHXMLLGHO-RRFJBIMHSA-N 402.488 1.230 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCN(CCCNC(=O)OC(C)(C)C)CC1 2234454671 YVUDRGXNSPBPDU-INIZCTEOSA-N 402.561 1.644 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2234454791 ZCMORNDQVWXQKR-OWCLPIDISA-N 400.545 1.539 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243405301 DDHYAXIWWCBEIK-LSDHHAIUSA-N 403.288 1.776 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243493020 QBLLOFMBXJLXRC-VXGBXAGGSA-N 404.276 1.171 30 10 HDEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247254346 GHOOOSZOWAOFNG-HZPDHXFCSA-N 419.331 1.967 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN1Cc1ccccc1 2247858548 ONOQRJDZRAOWGB-MRXNPFEDSA-N 411.315 1.119 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247907972 LMONJTRSNYAXMG-HXUWFJFHSA-N 424.303 1.584 30 10 HDEE C[C@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248061532 QXVLWCJATOXOLG-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3C=CS(=O)(=O)C3)c2Cl)OC1(C)C 2267192871 XFSNWHXQENRDKD-VIFPVBQESA-N 403.718 1.741 30 10 HDEE CSC[C@H](C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267702205 CGGJFJGESIYTHM-NSHDSACASA-N 406.404 1.955 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCN=S(C)(C)=O)s2)OC1(C)C 2267713627 QESMSOOINNRCEN-UHFFFAOYSA-N 408.376 1.053 30 10 HDEE N#C[C@@]1(C2CC2)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270530787 KFIMPRVTJGOQCU-APWZRJJASA-N 421.475 1.321 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1N 2282317173 NIKPZHRFASBKSF-QWRGUYRKSA-N 422.765 1.047 30 10 HDEE CS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335552 QXDLXXWAZXQFIF-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE COC[C@H]1C[C@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338488 RKDHONMIQXYJTI-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE C[C@H]1CNC[C@@H](C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349712 CGCYRJCXGBPBEA-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282355151 ZQACXPBKTFEOSW-VXGBXAGGSA-N 405.322 1.795 30 10 HDEE C[C@@H]1C[C@H]1N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509702 NVWZLGGDJXVRBF-TZMCWYRMSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(CS(N)(=O)=O)C3)sc2Cl)OC1(C)C 2282615431 PFCKDOSAZPKZBQ-UHFFFAOYSA-N 420.749 1.061 30 10 HDEE CCN1CC(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282832674 QTEUCWDXVVMOAA-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](F)[C@@H]3CCOC3)c2)OC1(C)C 2282849028 VQKIVCSLQJEVKL-YPMHNXCESA-N 405.322 1.700 30 10 HDEE CC1(C)NCCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856183 OSIGRKCCMAPNKG-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C 2282866568 LUQLNHSKVQJUJE-QWHCGFSZSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@]2(C)CCC[C@H]2O)OC1(C)C 2282871904 NLEPBDKJKDVJCL-DYVFJYSZSA-N 401.359 1.770 30 10 HDEE C=C(CS(=O)(=O)N=[S@]1(=O)CC[C@H](CN)C1(C)C)B1OC(C)(C)C(C)(C)O1 2282872906 DDAGTIDGHWOXSF-SHZVTRLKSA-N 406.379 1.729 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405523 LUXDGNQNFIKZND-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CCC[C@](C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405996 SHQDMWSNJUKEET-INIZCTEOSA-N 403.331 1.969 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284408285 UZRUMVDBFNOMIE-CYBMUJFWSA-N 401.677 1.557 30 10 HDEE CN(CC(C)(C)C(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284414470 HTUUFMJFSQOIRT-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE C#CCN(C(=O)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2285438792 IOSUVRAJQRDQOE-DNVCBOLYSA-N 400.541 1.965 30 10 HDEE O=c1c(Br)c(NN=Cc2ccncc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659600 ADJKPJYIOKGZOK-LLVKDONJSA-N 412.269 1.206 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365244330 BVLTUWMGVKJRHM-SFHVURJKSA-N 403.497 1.540 30 10 HDEE C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367791986 KVXFHNSOGUUFJZ-KLHDSHLOSA-N 401.525 1.779 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2367792263 MZBGURVLRAAVTC-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CC)[C@H](C)NC(=O)OC(C)(C)C 2367814415 AYMJJKGVZHPSBR-KHYOSLBOSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367816465 JTQDZVPVSVZJQZ-RVKKMQEKSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367827073 DNDCOKLDJXPXNJ-YJBOKZPZSA-N 402.557 1.553 30 10 HDEE C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)ccc21 13791861 NZKCZPGIKUXFEH-LTFJSZEESA-N 409.533 1.996 30 10 HDEE Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)c(=O)c1C#N 21354708 JDYUEVXGGZSMND-GOSISDBHSA-N 408.458 1.884 30 10 HDEE CCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 105619538 GXZPDBFJNOKURN-FQEVSTJZSA-N 418.563 1.797 30 10 HDEE CC(C)CN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)CC#N)CC3)cc2C1=O 219527754 LELSWVUDOLTDCT-UHFFFAOYSA-N 410.474 1.821 30 10 HDEE C=CCNC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@H]2C 303328736 SPDFFNKEIKCVHW-CYBMUJFWSA-N 400.454 1.762 30 10 HDEE COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 460274592 BHTHNRKJCYQWDZ-UHFFFAOYSA-N 403.460 1.626 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)N[C@H](C#N)c1ccc(Br)cc1 467297229 FDUVYFSNEFTMSG-CYBMUJFWSA-N 404.286 1.086 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C#N)n3)CC2)cc1[N+](=O)[O-] 468326014 KBADNUVWASJFJB-UHFFFAOYSA-N 417.447 1.689 30 10 HDEE Cc1ccn(C[C@@](C)(O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c(=O)c1 468425944 CLCSYXUOHMVDMV-HXUWFJFHSA-N 411.849 2.257 30 10 HDEE COC(=O)[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1OC 474704953 CHOWAWGSRSDOSI-LJQANCHMSA-N 411.414 1.336 30 10 HDEE Cn1ncc2c(N3CCN(S(=O)(=O)Cc4ccc(C#N)cc4F)CC3)ncnc21 478155089 MMEZPCHXIBNRDV-UHFFFAOYSA-N 415.454 1.026 30 10 HDEE C[C@](O)(CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CCCCC1 484382865 BBNXKAUXWRPYPZ-NRFANRHFSA-N 410.478 1.584 30 10 HDEE CC(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 489811896 LIXBBUYQQAVXJJ-PKOBYXMFSA-N 420.535 1.635 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)cc1C(F)(F)F 490086058 GHNAVUZFSYHDSK-UHFFFAOYSA-N 409.368 1.532 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ncccc2C#N)CC1 505266510 WAAQJEWKZKGVPC-SFHVURJKSA-N 405.506 1.208 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 507730093 CRZYBRFNHBRYDS-QZTJIDSGSA-N 403.571 1.782 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 508828580 PSNDCNJOKSLWLD-QGZVFWFLSA-N 416.507 1.305 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1C 511138627 ONKDEOJOMLIIOF-SFHVURJKSA-N 406.552 1.906 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)cc1 515390990 CVGUACJSYARFJX-MRXNPFEDSA-N 414.549 1.580 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)CC1 516681883 SICZOISJPKGPMQ-IAGOWNOFSA-N 416.526 1.147 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CC1 522845574 SCEUMTBZQURNKX-KRWDZBQOSA-N 420.485 1.835 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@@H]2C1 534394847 HPWUNCRLHAKMCP-ZACQAIPSSA-N 407.492 1.205 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccccc2CN2CCNC2=O)CC1 542689258 VBTCSLYDHAROOH-UHFFFAOYSA-N 405.462 1.833 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)c2ccccc2OC)c1 548201215 JFQZWGQACAYTPQ-KRWDZBQOSA-N 404.444 1.715 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 561513753 IFQONTDBCPNNGW-HZPDHXFCSA-N 408.499 1.406 30 10 HDEE CC(=O)c1ccc2c(c1)CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 580680610 IAGYUCIARGODAL-UHFFFAOYSA-N 411.483 1.667 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CC2)c1 608860943 RHZZTTCTEFWFNC-UHFFFAOYSA-N 409.515 1.972 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608967915 JGWWSWZDRDIQRE-UHFFFAOYSA-N 405.505 1.369 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCO[C@H](c3noc(C4CC4)n3)C2)C1=O 725773803 NGIDWUHPLVMEIY-HRAATJIYSA-N 422.445 1.617 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 729335354 MINMXXKJJKTZJU-AAEUAGOBSA-N 400.840 1.664 30 10 HDEE C#CCN(C(=O)c1cccc(CSc2nccn2C)c1)[C@@H]1CCS(=O)(=O)C1 729335363 MLOMUXRITSQOFE-QGZVFWFLSA-N 403.529 1.975 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)[C@H]1CCS(=O)(=O)C1 729335996 YXHDOZCMWNVKQB-HNNXBMFYSA-N 405.451 1.766 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O 730271940 NQXFIAWYJULUCP-LBPRGKRZSA-N 404.414 1.872 30 10 HDEE CCOc1ccccc1N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465079 DQUGIRGAMDVIAO-VXPUYCOJSA-N 413.478 1.443 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1 733877080 HPMWZCIVMAGSOG-UHFFFAOYSA-N 411.443 1.315 30 10 HDEE Cn1c(N2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 749677166 TXXBMDMYQRSSDF-GDBMZVCRSA-N 417.510 1.572 30 10 HDEE CCCNC(=O)CN(C)C(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 750346549 HCUYDXQZZHJJDI-UHFFFAOYSA-N 410.430 1.887 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760773426 MZWINXPNGPDNNV-KRWDZBQOSA-N 415.494 1.628 30 10 HDEE N#CCN1CCC(CNS(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 769431799 XIHVBTQFKMSDRH-UHFFFAOYSA-N 404.414 1.701 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 774998106 QCBBTCXNJFAXTM-APPDUMDISA-N 420.384 1.914 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 780204628 HBDRSQDPSVBUEI-SFHVURJKSA-N 413.455 1.181 30 10 HDEE COc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cnc2c1cnn2C 784866168 FFZSANWOYUWYQA-UHFFFAOYSA-N 405.823 1.621 30 10 HDEE N#Cc1ccc(NCCNC(=O)C(=O)NCc2csc(-c3ccccc3)n2)nc1 788464069 PSECJULOZXUNRR-UHFFFAOYSA-N 406.471 1.921 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O)[C@H]1CCS(=O)(=O)C1 788936290 OHQRUPIDNWFMKP-ZWKOTPCHSA-N 417.531 1.549 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1cccc(C#N)c1)S2(=O)=O 790029627 KZQYWMMJSVGPBV-UHFFFAOYSA-N 401.400 1.359 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1Br 790834789 CYDOPEHYNWNKRP-SECBINFHSA-N 409.265 1.654 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)OCc3ccc(C#N)c(F)c3)CC2)cn1C 791357661 WDARTNJKMRIHOM-UHFFFAOYSA-N 420.466 1.883 30 10 HDEE Cc1ccc(I)c(C(=O)NS(=O)(=O)CC2(C#N)CC2)c1 793196505 JBNWBOUNJBQDCM-UHFFFAOYSA-N 404.229 1.963 30 10 HDEE CSc1nc(O)c(C(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N 804634457 WCEDSPHZABZKIU-KGLIPLIRSA-N 420.491 1.891 30 10 HDEE C[C@]1(c2ccc(F)cc2)CC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 811732076 XSTJOBRXQONRQE-JOCHJYFZSA-N 407.449 1.889 30 10 HDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)c1nnc2n1CCCCC2 917504734 CPWFPSQTCHFFFX-LNCBFAARSA-N 402.524 1.907 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)NCc2ccc(N3CCN(CC)CC3)nc2)c1 918007985 IDQUZQSZUOWOKE-UHFFFAOYSA-N 420.517 1.643 30 10 HDEE Cc1nc(SCC(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)c(C#N)c(C)c1C 924287824 BOIOQBCFQIMMSH-AWEZNQCLSA-N 418.519 1.639 30 10 HDEE C=CC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1116568239 PBTQUVODDLLBQC-UONOGXRCSA-N 400.522 1.915 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2cnn(CCC#N)c2C)C1=O 1126842288 HYSQRWYMZZBVBG-AWEZNQCLSA-N 401.448 1.489 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)C(=O)OC 1151610921 LOROGLFHRBXCNH-AWEZNQCLSA-N 409.487 1.821 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OCC)C(=O)OC 1155779713 UDANLEAHCUCADY-IRXDYDNUSA-N 404.463 1.550 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(C(F)(F)F)nc1 1166498814 BPRNMRSMNFDTGW-SNVBAGLBSA-N 413.381 1.350 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC2(CCOCC2)CO1 1171835577 JYBCSPTYSWQRQS-OAHLLOKOSA-N 421.519 1.207 30 10 HDEE C#CCC1(NCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)CCOCC1 1176264522 YUCWDUUHZZGWDH-UHFFFAOYSA-N 424.501 1.005 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ccnc(C#N)n3)CC2)CC1 1187091260 OPBJKVFSTGJKRG-UHFFFAOYSA-N 401.471 1.143 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1202782961 CVMPRABSLMNLNC-HNNXBMFYSA-N 424.523 1.668 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@@H]1CCCc2ccccc21 1225340972 CHQQEESFYBHRFH-LJQANCHMSA-N 405.520 1.371 30 10 HDEE C#CC[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1225797279 MDZKEIXFMKBDHQ-XJKSGUPXSA-N 408.296 1.936 30 10 HDEE CC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(OC)c(OC)c1 1228082568 SUVHNCDSXZDCPV-OAHLLOKOSA-N 413.434 1.555 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 1230873000 LRFRWUDZPAJUCL-UHFFFAOYSA-N 411.300 1.687 30 10 HDEE C#CCOCCC(=O)N1CCC([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1283473515 HRSUJUGXTQYSGQ-HVSHRVNHSA-N 400.519 1.679 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC[C@H](C)C1 1286464648 DASUUVWABKBXCC-KSZLIROESA-N 402.543 1.436 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1286610776 BGMMBFMYNVRKBY-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286786192 ZTEMXQWIBRESJJ-CGTJXYLNSA-N 411.506 1.975 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1286820142 FRSRAEOUGGHBIV-OAHLLOKOSA-N 411.572 1.559 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1297379506 OMRPKRNDYXAGDA-UHFFFAOYSA-N 422.595 1.413 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300505997 LHUAJLVHMLAQBA-RCCFBDPRSA-N 421.567 1.098 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(O)CCC2)CC1 1300691255 RGMVWAGELNUJFK-UHFFFAOYSA-N 411.506 1.633 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccc(C)cc2)CC1 1300701469 VGNYGPPLFRRUHT-UHFFFAOYSA-N 408.550 1.970 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C2CC2)CC1 1300715749 CJKHCEXVEOUSDY-NRFANRHFSA-N 401.511 1.619 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccn2)CC1 1301259279 GGWPQBRDYJUZKP-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301330703 SMRVTZOCDNAAES-UHFFFAOYSA-N 409.538 1.583 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCSC1 1301964447 AFOFVXIGBRUENN-KZULUSFZSA-N 404.496 1.470 30 10 HDEE COCCOC1(Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1302124448 SPPQQFTUSOQGGN-MRXNPFEDSA-N 415.498 1.543 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1302771989 HLBDPEIVKRZXAY-KRWDZBQOSA-N 418.523 1.227 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1303425532 PAJWPXLFVKRBAL-JOCHJYFZSA-N 424.505 1.727 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1303636545 PKMWMQOQEIYVCX-OAHLLOKOSA-N 420.477 1.999 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312730445 IZUIYCWWQIMQSH-XHSDSOJGSA-N 423.510 1.772 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1313042813 NWBGIGXCOWEHHL-AWEZNQCLSA-N 400.357 1.593 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1313681855 YWJSDOSWRJWCAU-RTBURBONSA-N 423.521 1.852 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)NCc2ccccc2)CCO1 1316540626 MYDTZZHGWPKPQA-QZTJIDSGSA-N 410.478 1.565 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(CN2C(=O)c3ccccc3C2=O)CC1 1318776106 FYGWKERFRCAYSR-UHFFFAOYSA-N 424.482 1.718 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1325234241 QRFXPMQERXUQHE-NSHDSACASA-N 424.338 1.818 30 10 HDEE CCOC(=O)c1c(NC(=O)C[C@H]2CCOC[C@@H]2OCC)c(C#N)cn1CCOC 1355035634 FRVVZAOOOHBZPT-ZBFHGGJFSA-N 407.467 1.953 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(C)nc2I)c1 1356026621 PULCRBDSDKYOPW-UHFFFAOYSA-N 422.226 1.717 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(=O)OC)ccn2)c1 1357767453 ULVHIVYGHCGPMY-UHFFFAOYSA-N 407.426 1.355 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCn1nc(C)cc1C 1358970045 DBQCASQPQFRGEU-QFIPXVFZSA-N 410.522 1.907 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)CC1 1359036151 OOGZTSMUIOMXBO-DLBZAZTESA-N 423.608 1.221 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C2CC2)N(C)C)CC1 1359044121 WGPSQCBXLXBDRX-IBGZPJMESA-N 409.538 1.579 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359075912 KEHMUDBQSXNZNN-CHWSQXEVSA-N 423.315 1.138 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359096577 DPSMMOXATRPPJB-SUMDDJOVSA-N 413.526 1.717 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359203462 PKUXOPGSUAGHOC-HNAYVOBHSA-N 407.540 1.253 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1359292847 ZBHZVRJZKWVIGA-HNNXBMFYSA-N 416.530 1.532 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1359303442 ORNSLMCYJLONCR-UHFFFAOYSA-N 411.432 1.922 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)NC2(CCC(CC)CC2)C1=O 1437440264 HLRXSRUHYZQLCF-UHFFFAOYSA-N 405.495 1.681 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)C(=O)OC(C)(C)C 1440906913 ZDJANEKULILJPM-UHFFFAOYSA-N 401.511 1.320 30 10 HDEE N#Cc1cn(CC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)c(=O)nc1O 1444022170 AFQVDPSOAGWWCM-LJQANCHMSA-N 400.398 1.603 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)CC1 1447487003 OMOQGOULCCFMGW-OAQYLSRUSA-N 410.511 1.846 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1452023200 FWUXNGOTICQBRF-HNNXBMFYSA-N 407.515 1.980 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F)c1cc[nH]n1 1452525544 ISPCFXXZKPKVAX-ZYHUDNBSSA-N 406.361 1.310 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C 1452699344 GOYGELPULQPYNG-ZNMIVQPWSA-N 420.535 1.409 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)cc1 1452757630 PGCFCBIVYNLRCX-NUJGCVRESA-N 424.519 1.628 30 10 HDEE CC[C@@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1452849345 WQDYDWGOPJESLN-MRXNPFEDSA-N 412.446 1.764 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCCc2nnc3n2CCN(C)C3=O)cc1OC 1455374545 LUAXTEIWXGVNGV-SOFGYWHQSA-N 411.462 1.309 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1 1455706008 QTQZTOHJAXPFMP-HXUWFJFHSA-N 417.575 1.918 30 10 HDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1461764830 DUBUPKQHMACOQJ-WIYYLYMNSA-N 402.454 1.919 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3cc(C)c(C#N)cn3)CC2)cc1 1467112808 HNAKVTGLOYJKIY-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N[C@@H]3CCCN(O)C3=O)n2)cc1 1468453867 QPRDEKVOKPDMQE-CYBMUJFWSA-N 409.489 1.253 30 10 HDEE C#CC[C@@H](NC(=O)c1cnn(-c2ccccc2)c1I)C(=O)OC 1468875247 JRUCRSSZIOZDMG-CYBMUJFWSA-N 423.210 1.772 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)C1CCOCC1 1470311628 HHNOWOZFISLKLR-FQEVSTJZSA-N 421.563 1.383 30 10 HDEE N#Cc1cn(CCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(=O)nc1O 1470359972 FQSTWGWHAHRBFB-UHFFFAOYSA-N 413.821 1.878 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@H]1CC(C(N)=O)=NO1 1478621163 LUYORWXHOKCPSV-GFCCVEGCSA-N 413.247 1.916 30 10 HDEE C=CCC[C@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478642349 QQUKSXVORQRKKT-HXUWFJFHSA-N 416.566 1.984 30 10 HDEE Cc1nnc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCO2)o1 1492764283 BONBOFJFEXZXHW-INIZCTEOSA-N 409.450 1.857 30 10 HDEE CN(c1nnc(C2CCC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1503421480 GXJCJFUTKNFRID-UHFFFAOYSA-N 418.523 1.919 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507581439 SOBYREYPFOVMTO-DLBZAZTESA-N 413.526 1.460 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@H]1C 1507608744 RGWYHNBJYRCADN-GOSISDBHSA-N 405.506 1.921 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCn2cnnn2)CC1 1507718613 RKYPVERNCUPOLD-UHFFFAOYSA-N 411.901 1.431 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2sc(C)nc2C)CC1 1507723716 RVJLSXOOJSDCHX-UHFFFAOYSA-N 408.535 1.806 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507853417 FYQFUWCBNKTXHN-OAHLLOKOSA-N 410.950 1.858 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507863548 HWMMBXRTUQVQCX-INIZCTEOSA-N 418.933 1.428 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)CC1 1507879142 CZTFUJPLYRXYFJ-OAHLLOKOSA-N 415.523 1.741 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1508086142 LUWBTQIYFISONZ-UHFFFAOYSA-N 416.551 1.911 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cccs1 1508095763 SXYNZMACZFOBSI-CQSZACIVSA-N 402.524 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508131805 QGQHBTRGCXQYCJ-IKGGRYGDSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC(C)(C)C1 1508143887 PISVTWQXTLMSAA-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE Cc1cnn(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)c1 1511417446 OVADCALPBTYFFU-KRWDZBQOSA-N 408.422 1.787 30 10 HDEE C[C@@H]1COCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1512545718 HXZABMVLGKARDR-FZFLATATSA-N 423.477 1.015 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncc(CC)s2)CCOC1 1516219939 DTNLAZJPGHXOAQ-IFXJQAMLSA-N 418.523 1.726 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C/c2ccc(C(N)=O)o2)c1 1518826101 LOUZWUNMSQDANA-VQHVLOKHSA-N 407.426 1.265 30 10 HDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1520740814 ZLRZEHVVHPMLQJ-BZUAXINKSA-N 420.514 1.814 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)cc1 1530460076 QUSOFDBFPLRZEH-UHFFFAOYSA-N 405.501 1.969 30 10 HDEE CCc1nn(C)c(C(N)=O)c1NC(=O)COc1cccc(Br)c1C#N 1535876321 CFQBHPYKGGLGNC-UHFFFAOYSA-N 406.240 1.733 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)nn1 1536918637 QWMSDCHISMRENA-UHFFFAOYSA-N 413.297 1.869 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1537432207 AOUPJWPFXOXFGX-KGLIPLIRSA-N 410.496 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539005084 PAIYYJHZYVNKCF-QRTARXTBSA-N 412.469 1.170 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539139476 ITBJNSBQUNCWDN-HKUYNNGSSA-N 402.543 1.217 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539219342 JANDBUVARSKQKZ-JXFKEZNVSA-N 424.567 1.299 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)CC1 1539891955 OOABRIYXTWIWOP-UHFFFAOYSA-N 410.522 1.948 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1540180025 FPGPJEKEBNXUSE-QGZVFWFLSA-N 406.494 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCOC(C)C)CC1 1540868254 YBIWXINBQRVEFA-UHFFFAOYSA-N 415.542 1.133 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540904756 OJBGDNFUSWUODO-INIZCTEOSA-N 419.555 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1C(C)(C)C 1540909017 VDQPCEIPMRUTDT-CQSZACIVSA-N 418.585 1.190 30 10 HDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1541256337 UCRYQCHPJLXAGV-HZPDHXFCSA-N 410.544 1.563 30 10 HDEE C#CCN(C(=O)CCCS(N)(=O)=O)[C@H]1CCOc2ccc(Br)cc21 1543685358 DDPOHNOJEOCITP-AWEZNQCLSA-N 415.309 1.803 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3nc(N)ns3)CC2)CC1 1545346753 XEIIOBAIFHVYAP-UHFFFAOYSA-N 420.539 1.419 30 10 HDEE CCCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)cc1OC 1547268318 AYFIVZOORLBGAK-MRXNPFEDSA-N 413.478 1.996 30 10 HDEE COc1cc(Cn2c(C(C)C)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1554755087 HIJUBOXHQIFSNH-MRXNPFEDSA-N 401.467 1.558 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)CCO1 1555994082 UJGZLWMEVRZGQS-OALUTQOASA-N 424.505 1.607 30 10 HDEE CCN(CCO)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1556312139 FPBXGLHVGJKSNS-LJQANCHMSA-N 416.522 1.823 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1556375410 IQRQQMAUCYMRKC-ZBFHGGJFSA-N 408.451 1.974 30 10 HDEE COc1cc(CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)sn1 1558565433 KLBJSLPCAHPBMR-OAHLLOKOSA-N 413.459 1.887 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1560068876 HXJXULKZAHWGFB-IAGOWNOFSA-N 418.567 1.240 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1561737737 GEPHMVZDADPGDC-UHFFFAOYSA-N 406.430 1.218 30 10 HDEE COC(=O)C[C@H](C)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1566251875 RXANCPQXLXHBHZ-KRWDZBQOSA-N 421.538 1.733 30 10 HDEE CC(C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 1569251308 WZJBVWPBPPGQLZ-UHFFFAOYSA-N 400.504 1.994 30 10 HDEE COc1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc(OC)c1OCC(N)=O 1583811815 MZELKMICRNTPBR-INIZCTEOSA-N 413.430 1.245 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1584198398 GJFBDWJTAAPUDV-VQTJNVASSA-N 414.355 1.965 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC(C)C)C1 1587803757 MJSIHBIPFGEFAS-KRWDZBQOSA-N 412.494 1.969 30 10 HDEE C#CC[C@]1(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1588125607 AMBLNDLFGVXXBO-GOSISDBHSA-N 417.428 1.916 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N(C)C 1588162697 XZEKAUDTFJHUBD-UHFFFAOYSA-N 415.519 1.130 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCCO[C@H](C)C1 1589052982 BUFAYCWTWWNERP-CQSZACIVSA-N 403.508 1.987 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589096536 DSNSWIZELGPAFB-IYBDPMFKSA-N 407.565 1.850 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1593691536 YGNQLTISCUMYNT-UHFFFAOYSA-N 401.515 1.785 30 10 HDEE C=C(Cl)Cn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593872395 GVXSQHDAWQFFCD-UHFFFAOYSA-N 412.903 1.548 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1594962793 NJHPYKTXULAEDD-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(=O)OC)C1 1595496722 FISUQDLCHIRHEU-CQSZACIVSA-N 414.422 1.155 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 1596924659 DZLREQYGCGBWPO-VBUUPXLYSA-N 406.508 1.744 30 10 HDEE CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@]32C)[C@H]1C 1615813548 URGUBECARCAPRI-KIRQLHIZSA-N 417.458 1.513 30 10 HDEE biogenic CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1616348346 XPCOMGHHORDUAZ-XWGDAQBLSA-N 418.494 1.832 30 10 HDEE Cc1ccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn2c1 1624061694 CNHYUUVESXKUNM-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1625082471 JTIJQEBMXYHAFR-KKSFZXQISA-N 410.430 1.103 30 10 HDEE CN1CCN(CCCCNC(=O)COc2cccc(Br)c2C#N)CC1 1625365365 QBEQYJATDSOMBL-UHFFFAOYSA-N 409.328 1.843 30 10 HDEE C=CCOC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)OC 1626204941 RFEBEQXFDHQGSE-AWEZNQCLSA-N 413.268 1.429 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cnn(-c2ccccc2)c1I 1628510407 BEDURWUUFMTICQ-GFCCVEGCSA-N 409.227 1.981 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)nc1 1631573438 RUACPBUIHCGVNI-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)C(=O)OCC 1632067753 XCDRDYYZHFOUJY-DOMZBBRYSA-N 418.899 1.150 30 10 HDEE CN(CCNC(=O)C(=O)/C=C\c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 1639800555 LLFYPFJKHCHCIO-WCIBSUBMSA-N 408.426 1.984 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cncc(N4CCCC4=O)c3)C2=O)cc1 1639974196 YFUXYPSLSDJPND-LJQANCHMSA-N 403.442 1.611 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@H](C)COC 1640378173 CXBIKWZICTVSQZ-GFCCVEGCSA-N 410.414 1.913 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@](C)(C(=O)OCC)C2)ccc1F 1643018358 JDIWOLQRFDRIRE-SFHVURJKSA-N 414.455 1.084 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)C1=O 1643338584 UCBIFGBXEXSIOI-YCRPNKLZSA-N 412.446 1.268 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn12 1645342927 RBSPXEHNCIIAHY-OLZOCXBDSA-N 404.471 1.844 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cccc3c2OCCO3)s1 1646418442 ZLPRSMQPXNZXHT-UHFFFAOYSA-N 422.528 1.885 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCO[C@H](CC(N)=O)C2)nnc1-c1ccco1 1648326669 DTRQYGOLNZNKBY-CYBMUJFWSA-N 405.480 1.309 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 1648580918 YRTUJTBZKSPVPS-MRXNPFEDSA-N 414.466 1.738 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1648800059 YUTXAMATLOTXMQ-JZYAIQKZSA-N 424.423 1.171 30 10 HDEE COC(=O)c1ccc(N2CCn3ncc(I)c3C2)c(C#N)n1 1652261230 IRLDIWDJZIJFDL-UHFFFAOYSA-N 409.187 1.561 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](n3cc(C(=O)OC)nn3)C2)c1 1653180228 NKARZELJFVOAMO-MRXNPFEDSA-N 410.434 1.031 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1655606860 XXZPIHSVYYAPAK-CEXWTWQISA-N 406.504 1.745 30 10 HDEE C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCO[C@@](C)(C#N)C1 1656288979 JRMPZTYKNJICPZ-PXAZEXFGSA-N 414.915 1.532 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2[C@H]1CCCN2CCO 1656411871 WWDZOHPXLXHXJP-IPMKNSEASA-N 400.523 1.861 30 10 HDEE C#CCNC(=O)C1CCN(CC2(O)C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 1658406013 YMCWVDUTOMCEGZ-VSOVRNOCSA-N 405.539 1.741 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1)C(=O)OC 1663796311 GKGZYUALNYCYBL-CYBMUJFWSA-N 410.275 1.862 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 1666994485 MMPMRQXNUOCXMB-UHFFFAOYSA-N 420.535 1.303 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OCC 1670886680 QQAXKCMQMZUHSU-JTQLQIEISA-N 420.827 1.719 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@@H](C)O1 1671459668 HVZIKZYBODVYBD-IYBDPMFKSA-N 421.523 1.256 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673468735 JRNLASZAKLGZMH-CYBMUJFWSA-N 409.284 1.233 30 10 HDEE COc1ccc2ccccc2c1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675921903 HPRFGWTZEITUKZ-KKSFZXQISA-N 413.499 1.971 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 1679944201 IRYGEZBVEFPXOZ-BRWVUGGUSA-N 409.531 1.498 30 10 HDEE CSc1ccc(CNC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)cc1C#N 1685267114 RFLPAYWXVJKNAQ-IFXJQAMLSA-N 401.492 1.942 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cc(CO)nn1 1689856175 KYDGQOWLJVDBBC-INIZCTEOSA-N 419.493 1.149 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1689867032 OTZKEVCSGLOOBL-WMLDXEAASA-N 403.508 1.544 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689933132 BGUKRDZKJFIKBC-QGZVFWFLSA-N 402.524 1.195 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1690059083 ITFMGEFQXCHWLH-RDJZCZTQSA-N 408.572 1.365 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690080456 VJGFQYNAJIDBDD-INIZCTEOSA-N 419.526 1.749 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690153982 GINYREZRLQFYFP-KRWDZBQOSA-N 413.551 1.956 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1690672020 FZPXIVRIOMFLMB-FQEVSTJZSA-N 418.448 1.151 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690672506 UKHOCNAGNUEEGL-DYVFJYSZSA-N 405.449 1.656 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NC)c2)C1 1690696691 HNTZDLGNPJEURD-ROUUACIJSA-N 424.505 1.418 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(C)C)CC1 1690722227 BLQJWOLWUKLDLD-UHFFFAOYSA-N 420.539 1.179 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1692669299 RUFIJBAPHYTZLZ-KZNAEPCWSA-N 417.558 1.811 30 10 HDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1697777648 FFDIEVFEKVXMRD-GOSISDBHSA-N 422.468 1.918 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697782456 TVNQOYBZEPJRES-DLBZAZTESA-N 415.473 1.360 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705501926 AKDCWWCGZSWFFI-AEFFLSMTSA-N 424.505 1.920 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1705546249 GIBMEMGEFGRVCZ-NRFANRHFSA-N 407.478 1.629 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1705550963 CKUNQSYMZRWGSK-HZPDHXFCSA-N 418.519 1.726 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1705732577 DKOWAJDGUCGSLU-UHFFFAOYSA-N 417.485 1.972 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1705841472 CIKNPMHTQXHQDP-UHFFFAOYSA-N 405.466 1.977 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1705848887 VLBTXQQEXNECTN-UHFFFAOYSA-N 410.478 1.600 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705901880 YVTYQLMCPHJYIU-UHFFFAOYSA-N 424.571 1.146 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705904703 VMDPYRYVTCIICO-INIZCTEOSA-N 401.515 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1705933124 UZVQZNWPLJLFAQ-LJQANCHMSA-N 414.466 1.860 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1708955212 OPORDVFUBGNSGM-VGOFRKELSA-N 424.505 1.627 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1Cc1ccc(C#N)o1 1710568327 ALAGHASFWDGFPL-UHFFFAOYSA-N 422.445 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1722296064 NFEBSMXSHJFWPI-IRXDYDNUSA-N 423.583 1.895 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@]2(O)CCO[C@H]2C)c1 1722308572 CLGRIXJVEJDWOJ-NYHFZMIOSA-N 409.490 1.752 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722365483 DWFKVUCASHBGNZ-SFHVURJKSA-N 401.536 1.741 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1722368392 QWGOLAIKBFYWCE-HZPDHXFCSA-N 402.524 1.241 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1722390476 RHBSQQDPOXHIBM-ZDUSSCGKSA-N 406.537 1.164 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCN1CCCO[C@H](C)C1 1722427821 ONNKLATZGFWUHS-RTBURBONSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722437698 PDONTGFNSIFIFH-FQEVSTJZSA-N 401.603 1.258 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1722629032 KXEFAMXWSPDYEZ-CQSZACIVSA-N 404.540 1.893 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1Cc1nnn(C)n1 1722655524 GDZPFOSIEFVHBS-QGZVFWFLSA-N 405.466 1.766 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722744763 WUEQYSUCFWLQLX-MRXNPFEDSA-N 417.539 1.636 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC2CC2)CCOC1 1722865029 XRIIIEYBFNKGEI-MGPUTAFESA-N 404.515 1.441 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1723878915 OEAVUZJLIAXWNT-UWVAXJGDSA-N 406.506 1.582 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC(F)(F)F 1726405563 AIPSBLWVVOYYMS-LBPRGKRZSA-N 410.404 1.890 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1728142069 YLVVQFLHIKKFSD-QRVBRYPASA-N 420.558 1.995 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)c1 1730023216 SETVTBJBWQJRIJ-GOSISDBHSA-N 414.466 1.217 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@H]1C2 1731007548 DGGYTGYXCXSBHC-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740623509 VQJJXPISNSCPNR-KRWDZBQOSA-N 417.535 1.702 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1740626871 WSHHRQJGBCTEDE-KRWDZBQOSA-N 417.535 1.699 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC2CC2)nc1 1740638605 KTLTVNQTQBQJSF-GOSISDBHSA-N 404.474 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)NCC)c1 1740644717 QKGGQYMLGTVPOA-UHFFFAOYSA-N 420.517 1.677 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740665716 NPMAKQXABDNNLX-CQSZACIVSA-N 422.942 1.735 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1740667159 ROCWUCOYXLNHOL-UHFFFAOYSA-N 412.519 1.633 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2CCOCC2)CC1 1740706724 AOFDZPZUSVWRHS-UHFFFAOYSA-N 422.533 1.656 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1740786525 GVCMAXHWMOAIND-UHFFFAOYSA-N 418.542 1.600 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740890027 QQCKUNCGGXWOAQ-HNNXBMFYSA-N 402.474 1.522 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(S(C)(=O)=O)CCC1 1740940048 QUONDJZPKDIBIO-UHFFFAOYSA-N 407.540 1.890 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCOCC 1740960608 VWAXRIPQOQWDSB-QGZVFWFLSA-N 401.467 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(CCOC)CC1 1740989634 TWGZZXQODQTZNC-UHFFFAOYSA-N 419.551 1.314 30 10 HDEE CCc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1744669400 BCGZIEQHTHSAIZ-AMGRQBIBSA-N 410.482 1.442 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1745883169 ADAOLFXZBYBHGN-QGZVFWFLSA-N 410.478 1.684 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(=O)OC)CC1 1748765761 SPSVJOCTEWIEML-UHFFFAOYSA-N 404.515 1.744 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748818271 YKZVOKSVAXMRTA-LSDHHAIUSA-N 414.478 1.454 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@H](C)C1 1748847296 RADOBFBVBBZBMC-KZNAEPCWSA-N 404.536 1.458 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)C)C1 1748960524 KRVFDAWVVGBUOO-ROUUACIJSA-N 402.543 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CC=CCO2)CC1 1749009500 JSMMBRPLWKAQRE-RBUKOAKNSA-N 413.522 1.483 30 10 HDEE C#CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1749048298 MLJXJKFJJHFWHG-UXHICEINSA-N 421.567 1.259 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1749210959 PVEZCYXJZLTYSR-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)COC(=O)N2 1749232612 QOEARCYDBLVJPD-UHFFFAOYSA-N 412.494 1.935 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(S(C)(=O)=O)CC1 1749253243 YPPDZEFLTDPUDU-CYBMUJFWSA-N 406.936 1.768 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1749285824 YRXIINVJKAKPSW-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1749456355 COHRQOKWBRDBNY-INIZCTEOSA-N 404.515 1.174 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1749600376 XCYLWMLFVUAYHW-CVEARBPZSA-N 412.556 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CC(C)C)C1 1749731681 ILNTVXCTFWAKIH-HOTGVXAUSA-N 409.556 1.702 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749754325 KJWKBCFQRARDQY-JKSUJKDBSA-N 420.583 1.889 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1750068339 AVTSQALINJXPME-CQSZACIVSA-N 411.466 1.589 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1750202052 UHZPHJCWTXGCPM-INIZCTEOSA-N 423.564 1.874 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1760122847 SWGPVUNRTGHJDA-DZGCQCFKSA-N 414.535 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1760199370 VDFOPXHPJWJDQW-LJAQVGFWSA-N 412.515 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1760219831 PMGAFFIIHNAYKW-GOSISDBHSA-N 411.531 1.589 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2nccc(C(F)(F)F)n2)CC1 1760263612 IQHYMTZTBJYWFY-UHFFFAOYSA-N 423.443 1.621 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@](C)(O)C2CC2)CC1 1760266648 HMLOLPCJLPRUSM-QFIPXVFZSA-N 411.506 1.973 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCC[C@@H](C)C2)CC1 1760268174 DVQCYSOTTXKLLX-GOSISDBHSA-N 423.565 1.971 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1760450685 PPBRFYKXFNPJEY-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(C)C)CC1 1760552687 XVONFTFEOGXTCO-UHFFFAOYSA-N 418.567 1.908 30 10 HDEE CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1765605617 DEFOPJYZOFUJQV-JKSUJKDBSA-N 424.571 1.930 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766230768 LZACYXNMVIPMLX-WMZOPIPTSA-N 415.542 1.265 30 10 HDEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1766938600 SOGVCUGAQHTRHE-FQEVSTJZSA-N 403.531 1.109 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1=O 1769071309 XKBZMSRLTWBRLT-UHFFFAOYSA-N 400.508 1.211 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)c1 1771343885 OSWXPLONKYCCOQ-MRXNPFEDSA-N 419.507 1.240 30 10 HDEE N#C[C@@H](COC(=O)CN1CCCS1(=O)=O)Cc1ccc(Br)cc1 1850928512 YMOBWQAQWZPSRU-ZDUSSCGKSA-N 401.282 1.710 30 10 HDEE C[C@H]1C[C@H]1C(=O)Nc1c(C#N)c(Cn2cncn2)nc(=O)n1-c1ccc(Cl)cc1 1851896664 CZGOQPJVJGIPOK-SMDDNHRTSA-N 409.837 1.992 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ncccn1 1852214732 LUDPGLJGUVSTDW-UHFFFAOYSA-N 404.448 1.135 30 10 HDEE COC(=O)[C@H]1CCC[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1 1852615114 UWEKSIZNCQFQQE-ROUUACIJSA-N 400.479 1.598 30 10 HDEE O=C(NCC#CCN1CCc2ccccc2C1)C1CCN(C(=O)C(F)(F)F)CC1 1852834669 LVYDRDOPKMXHBF-UHFFFAOYSA-N 407.436 1.965 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cocn3)C3(CCCCC3)C2=O)CC1=O 1853935052 FNWZXQPPKFEPHL-MRXNPFEDSA-N 400.479 1.583 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854048411 GCEQHSCMWNGPNA-QZTJIDSGSA-N 403.504 1.127 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)COc2ccccc2F)C1=O)[C@@H]1CCN(C)C1=O 1854262950 PAECFPVDKARQQD-ZWKOTPCHSA-N 417.481 1.831 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(C4CC4)C3=O)C3(CCCC3)C2=O)ccn1 1854290094 DXWDQFUJYGBTRM-SFHVURJKSA-N 407.474 1.314 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCS4)C(=O)C3)C2)c(F)c1 1854355459 YRNMEUHCXTVTQU-MJGOQNOKSA-N 416.522 1.838 30 10 HDEE CC(C)=CC(=O)N1CCC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854366549 KXEKFORERUYREG-IBGZPJMESA-N 400.523 1.944 30 10 HDEE CN(C)c1nccc2c1CCCN2[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854493247 GTKBZKGGEAUPAM-LJQANCHMSA-N 404.474 1.998 30 10 HDEE C=CCCC(=O)N1CCCC[C@H](N2CCC(n3ccc(=O)n(C)c3=O)CC2)C1=O 1855210633 WERLYVPRLJXGTA-KRWDZBQOSA-N 402.495 1.058 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCCN([C@@H]4CCOC4)CC3)CCC2=O)c1 1855270742 HYUUYUBOZDPAAL-PZJWPPBQSA-N 410.518 1.734 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccccc2-n2cnnn2)CCN1Cc1ccc(C#N)cc1 1855578361 WZKMXANZYYDZGT-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855718679 YXOKVIXNVRCWIQ-HOCLYGCPSA-N 405.476 1.265 30 10 HDEE C[C@H]1C(=O)N(C(=O)C[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855740118 OJYNIXNRNSVDBS-HOCLYGCPSA-N 405.476 1.265 30 10 HDEE C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCCC#N 1856281116 CALBCWAIYYTOFJ-YJBOKZPZSA-N 418.519 1.873 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)Cc2ccc(F)cc2Br)CO1 1856870858 KBAQCXBKMOLRGI-NSHDSACASA-N 407.217 1.143 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCc2ncc(C)o2)C1)[C@H]1CCN(C)C1=O 1857050100 DGTVTYCTSSPFRU-IRXDYDNUSA-N 402.495 1.400 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCN(c4ncccn4)CC3)C2=O)c1 1857300964 ZZIZLEOTNIYRMY-SFHVURJKSA-N 424.892 1.759 30 10 HDEE CC(C)N(CC#CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(C)C 1889947441 ZLSWJQYUERYXHP-UHFFFAOYSA-N 400.435 1.429 30 10 HDEE CCN(CC)CC#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 1891124845 JDKHKOODYQOBFS-UHFFFAOYSA-N 416.341 1.189 30 10 HDEE O=C(NOCCCN=C1NC(=O)C(=O)N1)OCC1c2ccccc2-c2ccccc21 1954603290 GCCMPCBIKFIOQU-UHFFFAOYSA-N 408.414 1.449 30 10 HDEE C=CCn1ncc(N[C@@H](CO)CNC(=O)OC(C)(C)C)c(Br)c1=O 2011422075 OIKPIDFMVRYJHX-SNVBAGLBSA-N 403.277 1.489 30 10 HDEE CN(Cc1ncnn1C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116139475 ZWYQKAVBYPHHMG-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE COC[C@H](C)S(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186599270 HHZOXBJVWHCCDP-RYUDHWBXSA-N 404.363 1.800 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccsc2S(C)(=O)=O)[C@H](C#N)C1 2194937138 HUASQVBYZNESEI-OCCSQVGLSA-N 414.553 1.596 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)=NO2)C1 2195308398 ZRJQARDQWPDAFP-GTNSWQLSSA-N 401.485 1.420 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387736 ZPHPRVUNQJCFGO-LBPRGKRZSA-N 408.308 1.600 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2243425149 FSKUHGMBPGMISW-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675269 UEXYSMPOGRUSPG-HNNXBMFYSA-N 408.304 1.621 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243702883 TULXJJQHHONNKR-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCB2OC(C)(C)C(C)(C)O2)C1 2244641557 NULPXIDTASQJIH-HNNXBMFYSA-N 409.336 1.818 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N(CCC(N)=O)Cc3ccccc3)nc2)OC1(C)C 2247859207 TWKJEXLLHCFVNS-UHFFFAOYSA-N 409.295 1.899 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247923352 XFQPGBWKCSRCJP-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258176733 XPULIPNIGLAZDM-IRXDYDNUSA-N 408.476 1.477 30 10 HDEE CNC(=O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352623 GWDYZCSMRQPVQA-UHFFFAOYSA-N 408.738 1.067 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cnn[nH]3)cc2Cl)OC1(C)C 2267360402 UIAGBARIIGVUOC-UHFFFAOYSA-N 404.710 1.297 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)c1nncs1 2267711674 OMYLDKIZQDDOFK-SECBINFHSA-N 401.344 1.938 30 10 HDEE Cc1cc(C(=O)NCCCCS(N)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282177501 HAMBJUNDFVXQKC-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282300739 KOIIYZNMDMABAF-CYBMUJFWSA-N 400.375 1.634 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282304838 PXRGTVQISGUFCU-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CCO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282307875 JNNGGTAMMFGQLC-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE CN1CCC[C@H](N(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331401 MVLBEAZYGDJUIJ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC[C@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCCN1 2282341560 ULERYUFNSWQNEL-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CSC[C@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282344138 AJRNUTVVMXOEAT-TXEJJXNPSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@H](N)C(F)(F)C3)c2)OC1(C)C 2282345410 PBHQOQLOSHXOFQ-NSHDSACASA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CN)C2CCCC2)OC1(C)C 2282418575 JHNPAEIXCRXPTQ-CQSZACIVSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(F)CNC3)c(Cl)c2)OC1(C)C 2282493507 WPZRVUWRGGCKCP-UHFFFAOYSA-N 404.700 1.229 30 10 HDEE C=C(CS(=O)(=O)N1CC[C@@]2(CCCS2(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282494449 YPXRYMAYBNVUSU-INIZCTEOSA-N 405.347 1.157 30 10 HDEE CCN1CC[C@@H](N(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282495562 NZGKQVDHORZOEJ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CN(C1CC(O)C1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495575 ODFHHSUBBPUBIE-UHFFFAOYSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@]2(C)CO)OC1(C)C 2282501181 TZANKJSQNXNGSP-MRXNPFEDSA-N 402.347 1.119 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCOCCO2)c1B1OC(C)(C)C(C)(C)O1 2282506419 RXIPJSRDNQUEBZ-UHFFFAOYSA-N 403.331 1.617 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282515022 LWTNEJCWCGPSAH-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE CCc1nc(C(=O)N(C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282521881 CIHHPYZMJAUAOX-UHFFFAOYSA-N 402.347 1.121 30 10 HDEE C[C@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282541866 AIMZBOBURFKDRQ-AFNXNYLOSA-N 403.741 1.260 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@]2(C)CCCO2)OC1(C)C 2282834812 NIGOPHNXNJUEQR-MRXNPFEDSA-N 402.347 1.431 30 10 HDEE CC[C@@](C)(NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282837259 SSZHCIZJEZHLSW-MRXNPFEDSA-N 402.347 1.288 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCNC1 2282850582 QSZFWYPJEISMGA-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@@H](C1CNC1)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881961 FJNRGDMCGZLARZ-LBPRGKRZSA-N 400.375 1.417 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H]3CCC(=O)O)s2)OC1(C)C 2284395560 MTXVDSMMGGPUOB-LLVKDONJSA-N 401.315 1.675 30 10 HDEE C[C@H]1C[C@]1(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400170 SJWZCHALEICZCZ-MGPLVRAMSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N(O)CCC(=O)O)ccc2Cl)OC1(C)C 2284409036 DTBNLFUAPOCKHX-UHFFFAOYSA-N 405.665 1.494 30 10 HDEE C/C=C/C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284417815 QABPHGPAPVVAKC-NNNHXZLVSA-N 401.315 1.745 30 10 HDEE C=CC[C@@]1(CO)CCCN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2287759629 CAUQXASZMNNPRB-KSSFIOAISA-N 404.529 1.244 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=NN=c1ccc2nnc(C)n2[nH]1 2328793183 VJCTZBVFILIZNL-UHFFFAOYSA-N 409.406 1.586 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339666818 DKVPAWIUYXPHSY-WFXMLNOXSA-N 422.547 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@H]21 2365176598 RFAPDIGHSWOEAC-LVQVYYBASA-N 401.525 1.588 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@H]1C 2365206883 JWYVBNKQZWVHME-CLCXKQKWSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365247932 HRVAAPDRYLLXAU-UONOGXRCSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(O)(C#CC2(S(C)(=O)=O)CCC2)CC1 2367786366 HNLXBBGVRJIKLW-UHFFFAOYSA-N 400.541 1.309 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(CCOC)C(=O)OC(C)(C)C 2367792456 OUMDJZHQFMGTLH-MRXNPFEDSA-N 402.557 1.819 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CC2)[C@@H](C(F)(F)F)C1 2367799929 FOTFXJVHXMEEHT-RWMBFGLXSA-N 410.458 1.940 30 10 HDEE CC(C)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2370840794 BEQFKEOJPFIPIH-JSGCOSHPSA-N 401.359 1.827 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 22849272 YJXZUTLKNRDEKI-QFIPXVFZSA-N 412.559 1.874 30 10 HDEE N#Cc1cccnc1N1CCN(CCC(=O)N2CCN(c3ccccn3)CC2)CC1 62361483 CIXOYSOGJRNOMC-UHFFFAOYSA-N 405.506 1.209 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1 238848244 IVMGDDFKVQPJDR-APWZRJJASA-N 406.442 1.995 30 10 HDEE C[C@](N)(C#N)Cn1cnc(I)c1I 306446426 UZAZNENLLVECPZ-ZETCQYMHSA-N 401.977 1.333 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C 316068125 JQWAWWQSUNMSQH-ZDUSSCGKSA-N 406.323 1.569 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 434788549 WZJMREHYESYCEP-BFUOFWGJSA-N 401.492 1.551 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C#N)c1=O 440381050 PVRMZLWFNBRWNN-UHFFFAOYSA-N 418.478 1.700 30 10 HDEE CCOC(=O)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 441290933 VGYBOAHBJWOFFE-MRXNPFEDSA-N 414.462 1.953 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1S(=O)(=O)NCC#N 447262662 FRTXTUMULURQMK-CQSZACIVSA-N 415.397 1.564 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447267484 OKECLJWGDMALTK-UHFFFAOYSA-N 416.453 1.497 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1C 447743881 IKLSNWBXXSMWSL-QFIPXVFZSA-N 420.473 1.895 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2cccnc2N2CCOCC2)cn1 462083839 KGCFIPLBUGSJAM-UHFFFAOYSA-N 404.434 1.692 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 463272364 PLAWWQCXTFMWSG-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE C=C(C)C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 464551821 UBMSSXURQGVBMJ-CYBMUJFWSA-N 400.522 1.970 30 10 HDEE C[C@H]1[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC(=O)N1Cc1ccccc1 466836855 VQRIEGARBXRRIO-FXAWDEMLSA-N 418.501 1.974 30 10 HDEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1F 471921217 CPALKQWHNOJBNR-OAHLLOKOSA-N 405.473 1.279 30 10 HDEE C=CCN(CCOC)C(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 482843697 UPXPQHRXERFMRT-UHFFFAOYSA-N 404.507 1.829 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)cc1C#N 489672896 CAQKYFFUEBPNQK-UHFFFAOYSA-N 410.459 1.285 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 504086389 CHUMGCPEXSXUSO-WOJBJXKFSA-N 400.435 1.941 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(=O)OC)C1 508847224 UPCLXVIBOCEQMU-ZDUSSCGKSA-N 410.272 1.610 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 508937045 BDHKAMUWLJEJFF-UHFFFAOYSA-N 407.496 1.230 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CCN3CCOCC3)cc21 526895791 HVSPEFHZNBODIA-OHZJNBGDSA-N 406.504 1.250 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 537410728 ITYLKKWTJPISTP-KRWDZBQOSA-N 405.930 1.548 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccc(S(=O)(=O)N(C)C)cn1 554754056 YHBNFJCHBYNKJP-UHFFFAOYSA-N 417.491 1.884 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 564409575 IPJHNHCVWVZHMJ-UHFFFAOYSA-N 405.442 1.751 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H]1n1cccn1 581510620 ASGJFQIKIMHBTF-JFIYKMOQSA-N 417.491 1.142 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 588901170 NYCRHNZWKNGSRN-ZWKOTPCHSA-N 411.483 1.897 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)ccc1Cl 609561482 CHKHKFOBKWGJLW-CYBMUJFWSA-N 404.879 1.868 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 670232042 VBEFNVSKGGAKKA-FQEVSTJZSA-N 415.519 1.641 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 725443450 PVXHPVOKDBSYOP-UHFFFAOYSA-N 424.372 1.709 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 728579088 JJEVLKZCHAJLBO-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE COc1cccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 731904935 RUHUAHKTUSDIOU-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)cn1 734602136 YMDDUKVGPKXRKI-QGZVFWFLSA-N 405.476 1.458 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C)cc1 734963770 MDEQBORBLXNIHE-PKOBYXMFSA-N 413.455 1.591 30 10 HDEE COc1ccc(Br)cc1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 742072069 KDBVOXXOBXQSBT-WUKNDPDISA-N 408.252 1.643 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(C#N)c1 746953666 LCWCVQUPUWNBEB-MEDUHNTESA-N 409.851 1.378 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1C#N 747404870 ZLAUKUTXVFGLJU-OAQYLSRUSA-N 407.430 1.621 30 10 HDEE CSc1nc(O)c(C(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)cc1C#N 748364211 GGIYTVHBCLJOHT-UHFFFAOYSA-N 402.398 1.911 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c1 750432623 ITAKHKFXZCQNPK-LJQANCHMSA-N 418.515 1.992 30 10 HDEE O=C(O)C#CCNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757473274 DWBAFNUGIPIZTF-UHFFFAOYSA-N 402.406 1.733 30 10 HDEE CC(C)N(CCCNC(=O)CON=C(N)c1ccc(Cl)cc1)S(C)(=O)=O 762672965 ICYIUMWHNDOYBT-UHFFFAOYSA-N 404.920 1.153 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 770337311 KZECYYLWSSQAEM-UHFFFAOYSA-N 420.491 1.375 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(NC(=O)C(C)C)cc1)c1cc[nH]n1 770824575 WXVJNQLELKRBOB-UHFFFAOYSA-N 401.423 1.927 30 10 HDEE COc1cc(C)nc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c1 776763205 HVQOUWIMWVZJST-UHFFFAOYSA-N 404.496 1.176 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)n1 788811237 SSVMGSVWBAJTGY-HXUWFJFHSA-N 410.474 1.923 30 10 HDEE COCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCC(F)(F)F)cn1 789991362 PFCARKFTNWRIPG-UHFFFAOYSA-N 414.417 1.533 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 790851744 NJNYUUGUTPSCHP-HNAYVOBHSA-N 415.556 1.825 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1C#N 793866195 YWEIWAPSOMDIFX-INIZCTEOSA-N 410.449 1.965 30 10 HDEE CCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794579852 DSRGWYZGOAEXFI-OAHLLOKOSA-N 422.510 1.466 30 10 HDEE N#Cc1cccnc1N1CCN(Cn2nc(-c3ccccc3[N+](=O)[O-])oc2=O)CC1 794617339 VUAHHCORTMJJNO-UHFFFAOYSA-N 407.390 1.458 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCF)cc1F 797817841 FFGRVDAWGOEAOH-OAHLLOKOSA-N 414.478 1.803 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C[C@@H](C)O1 798746036 YAEAOVJZHWKUHS-QLFBSQMISA-N 412.450 1.506 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCN(CC)C1=O 802369477 GPVQXHLCUSGDRK-GJZGRUSLSA-N 406.508 1.021 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 802668405 VHZFFIDJMYJWNQ-UHFFFAOYSA-N 404.875 1.595 30 10 HDEE CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780448 AKFXOSJNENTVEI-ZDBRSUKYSA-N 421.498 1.603 30 10 HDEE Cc1nc2ccccc2c(=O)n1N=Cc1ccc(S(N)(=O)=O)c(Br)c1 807945235 IQEQQHOOBLLRLQ-UHFFFAOYSA-N 421.276 1.997 30 10 HDEE NS(=O)(=O)c1ccc(C=Nn2cc(Br)cn2)cc1Br 807979887 YUJSRCAPIXQKPM-UHFFFAOYSA-N 408.075 1.938 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 810986458 AGRRHFVPRRIDBN-HNNXBMFYSA-N 416.459 1.318 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812056228 GVKKXEPQNHLQOS-RTBURBONSA-N 414.531 1.651 30 10 HDEE N#CC(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1C[C@@H]1CCCO1 914564762 AASZFYVJCXFHFV-LBPRGKRZSA-N 422.329 1.939 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 921245525 DDOVJSHTMHUKHM-HNNXBMFYSA-N 402.476 1.195 30 10 HDEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccncc1 1084417609 YKJKZFOBNDXUOK-UHFFFAOYSA-N 415.483 1.951 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)cc1 1125087592 NODYZXQVQNCNSF-QGZVFWFLSA-N 403.464 1.358 30 10 HDEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2n1CCOC2 1135005822 JTYSDQDJCJTQNE-UHFFFAOYSA-N 401.448 1.322 30 10 HDEE N#CC1(CC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCOCC1 1136734878 IEYCVTMQDDFMIW-UHFFFAOYSA-N 402.470 1.410 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1138262364 FFFWYDAKNLUEST-QGZVFWFLSA-N 414.510 1.556 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)c3nc4ncc(CCO)cn4n3)ccc21 1138269491 IHIHXFXXNIRVIN-UHFFFAOYSA-N 419.445 1.494 30 10 HDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1141869297 BRYMENMSIGYLIK-YOEHRIQHSA-N 406.483 1.769 30 10 HDEE COC(=O)[C@@]1(F)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1149485481 ZVNDKMBWLPAODU-IAEFTCJHSA-N 409.458 1.887 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCOc1cccc(F)c1 1158660111 GJWUJARFHCWCMP-AWEZNQCLSA-N 405.451 1.949 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)n[nH]2)c1C 1159208163 OHHSVADUMJCBLN-CQSZACIVSA-N 406.512 1.182 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(=O)OC 1161365054 NTLQUOSIPQGKRB-XOVFHRFOSA-N 404.488 1.380 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@]1(O)CCCOC1 1164440203 HEAHGDOPZRJNKZ-JXFKEZNVSA-N 423.535 1.332 30 10 HDEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1168318261 FGFUIKBJNGZWSF-GASCZTMLSA-N 412.833 1.663 30 10 HDEE C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176422642 NKHXWUUMJXADRZ-VBHSOAQHSA-N 413.902 1.696 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1S(=O)(=O)c1cccc(Br)c1C#N 1194076196 IBLIJHNJFWMQKS-OUAUKWLOSA-N 400.298 1.949 30 10 HDEE CCOc1cccnc1N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1197797400 IHDREPGNDUCHIZ-UHFFFAOYSA-N 404.470 1.902 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)ccc2OC)CC1 1214503189 SERRVXYEBLBKJS-UHFFFAOYSA-N 408.524 1.610 30 10 HDEE COCCOC1(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOCC1 1228684577 ZUCDSSQDJDSMBE-FQEVSTJZSA-N 416.522 1.618 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(-n3cncn3)n2)c1 1264809347 ACAGXSVSTUUTGE-UHFFFAOYSA-N 416.441 1.149 30 10 HDEE C#CCOc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 1273110674 PCVXVKGWDZBLOX-UHFFFAOYSA-N 420.512 1.711 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1286390958 BAHTXWPOCIKXJJ-HNNXBMFYSA-N 404.492 1.230 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286391754 FYVSAERJAJGHCN-IXDOHACOSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](COC)OC 1286405053 XOFBMDXSYFHMEK-AWEZNQCLSA-N 406.284 1.770 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1OC 1286522059 GISRAUWZNWSXOK-TVKQPGBESA-N 406.552 1.987 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCC2 1286768808 IPVIXGQULHJWJW-UHFFFAOYSA-N 411.514 1.365 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1286776551 GVZGZCGVSYNOOZ-MRXNPFEDSA-N 402.543 1.964 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)CC(F)(F)F 1290865037 JAZNBNUIJCMJCN-UHFFFAOYSA-N 408.432 1.674 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 1294721846 IIBRDKNUKLTDMN-FQEVSTJZSA-N 402.426 1.322 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)C2CCOCC2)C1 1297193288 JKYIRLIZEQUQOX-INIZCTEOSA-N 408.296 1.661 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1297397178 UCUXOENPQNFYFM-ZDBRSUKYSA-N 416.526 1.965 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2Cc3ccc(C#N)cc3C2)cc1 1299939890 BUQBGKAUMXAUOU-UHFFFAOYSA-N 413.455 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1300307814 IRTCAHXXHVDFFZ-KKSFZXQISA-N 411.510 1.061 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1300308264 OBZCCFCEDOPIQE-RCCFBDPRSA-N 423.583 1.139 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCC(N)=O)CC1 1300399442 MGTANROSEYVFQQ-UHFFFAOYSA-N 411.462 1.558 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1300496419 RCEDMWKPNOTMQX-INIZCTEOSA-N 417.539 1.222 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N(C)C 1300511099 FIBQIUBTIZIXJH-UHFFFAOYSA-N 401.474 1.886 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1300512989 PGAZKTVTAQFQDP-QFIPXVFZSA-N 409.490 1.233 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1300581269 QKBNJQBZMIJOFG-MSOLQXFVSA-N 404.536 1.602 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](F)COC)CC1 1300708166 PJXAORPNCIHSGZ-GOSISDBHSA-N 401.486 1.905 30 10 HDEE COc1nsc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1Br 1301193146 YTZLUUZWFWFVBQ-SEYXRHQNSA-N 415.269 1.447 30 10 HDEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O)C1CC1 1301330689 SCEWVVYIJCDAMK-UHFFFAOYSA-N 411.478 1.851 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)S[C@@H](C)C1 1301497505 YAOQEZVSNWMKHF-STQMWFEESA-N 418.523 1.638 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301506266 IDADEXNMRNJMQC-QGZVFWFLSA-N 423.521 1.061 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1301815274 PGRSFXZGMLVWDC-VIFPVBQESA-N 423.716 1.908 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1303970951 DGNDGRHZKBSYDW-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC2(CCOCC2)O1 1304236009 XKQXCRBGNBOJNU-GDBMZVCRSA-N 407.492 1.069 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1NC(=O)CC(C)C 1305589529 IYGVFWFKGDOGSW-UHFFFAOYSA-N 409.446 1.811 30 10 HDEE CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1306630104 MDPCZIAVGBQOJY-HOCLYGCPSA-N 419.507 1.698 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1313098768 WTIVIFNMCUYXJX-OKZBNKHCSA-N 419.526 1.851 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1313281559 GRWMLEMEQHORRG-KRWDZBQOSA-N 423.496 1.795 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1314390095 ITHWSIQYKBSAFP-GJZGRUSLSA-N 416.448 1.959 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1314699783 VKDGGQJMYWIRIC-FMQUCBEESA-N 407.478 1.779 30 10 HDEE CC(C)CN(C(=O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(CC(C)C)c1N 1351765867 XZZWKBJTGMNGAR-UHFFFAOYSA-N 405.499 1.887 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cnn1CCC#N 1352812582 VJHQHQCOLVGPRX-UHFFFAOYSA-N 420.517 1.842 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1358885433 KBWNNDIUPAOFPZ-XOBRGWDASA-N 413.503 1.434 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1358887387 WBOYUONGZDGGGL-LBPRGKRZSA-N 405.480 1.041 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1358899407 MNEUQJGQHVTWKI-ZTFGCOKTSA-N 413.526 1.866 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@]2(O)CCOC2)c1 1358901656 RUXFKNUOKNQZQI-ZHRRBRCNSA-N 411.506 1.999 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358963800 OFJGNPBKTUPDMN-MLHJIOFPSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1358984757 GFFVPOBQMMSBDV-IRXDYDNUSA-N 419.551 1.168 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359111059 MZCRQKMMAPIQID-HNNXBMFYSA-N 405.528 1.419 30 10 HDEE C=CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1359220621 DNJROTCGEBKUCK-APWZRJJASA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359292281 MACYZTLKECEHFD-SJORKVTESA-N 404.559 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359331542 BXGINNFYXGPJJJ-RCCFBDPRSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC(C)(C)[C@@H]1C 1359331770 HWZVVYHATQBYPV-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1359342823 GALAQIFFCLPKGJ-HOTGVXAUSA-N 414.597 1.962 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1360265578 FZHSSTHRGHAGJO-QGZVFWFLSA-N 409.494 1.652 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccccc2CC#N)CC1 1441363353 XSXZQUHDADTWGZ-UHFFFAOYSA-N 400.479 2.000 30 10 HDEE Cc1ccc(C(=O)N[C@H](CC(=O)OC(C)C)C(C)C)cc1S(=O)(=O)NCC#N 1452531710 XRHLPNRVGAIUQC-MRXNPFEDSA-N 409.508 1.893 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cc(C#N)cs2)cc1 1456479148 SNBKQSZSVGHBPY-UHFFFAOYSA-N 406.489 1.515 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H]1c1ccnn1C 1460982872 LRKPZULJXOTAQW-UIFIKXQLSA-N 407.474 1.774 30 10 HDEE C[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1461269059 BOCDYGRLLOOAGZ-NRFANRHFSA-N 412.515 1.506 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]2CC[C@H]1C2 1464920747 ASRUFWCLUULIQY-SGVXRKOASA-N 403.479 1.777 30 10 HDEE CNS(=O)(=O)NC1CCN(C(=O)c2cccc(Nc3ccc(C#N)cc3)c2)CC1 1467671044 DVNIOTCVDUNLEQ-UHFFFAOYSA-N 413.503 1.960 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](O)C(F)(F)C1 1469932055 LAIOLKFOEMWSTR-ZFWWWQNUSA-N 415.462 1.512 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)/C=C/c3ccccc3C#N)CC2=O)C1 1472248380 JPKTZJOAYYJOHM-IJDCCNJMSA-N 410.474 1.908 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(OCCN(C)C)c(OC)c2)CC1 1476759637 XRVVPADMZUDQFV-UHFFFAOYSA-N 402.495 1.629 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)NCc3nc(C#N)cs3)O2)C1 1478996516 IQSPZHGIJYAQSE-CYBMUJFWSA-N 407.496 1.982 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504697782 RAMLDFICMKJUTP-STGLLQLASA-N 411.466 1.272 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cnnn1 1507663439 ZNUJCMPTFCWEIW-UHFFFAOYSA-N 405.422 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1cccs1 1507710392 ORSKAGMDKVOSMY-LJQANCHMSA-N 400.508 1.734 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@]1(N(C)C)CCSC1 1507711825 IQBMVRNTUOWWMR-OAQYLSRUSA-N 414.579 1.787 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CCCC2)CC1 1507725913 CYFFEFNAKTZNNZ-UHFFFAOYSA-N 408.550 1.751 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507962569 UBQSLXKQUUCFHV-KRWDZBQOSA-N 423.477 1.357 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1)C1CC1 1507993706 SYBAEDTUDSUVGT-MRXNPFEDSA-N 415.519 1.482 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1507995397 JTDMPWUKARTKQJ-HXUWFJFHSA-N 416.551 1.491 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1508152511 NAXVHDHGDWLGDB-PBHICJAKSA-N 415.585 1.424 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1508775098 YANWNUWDWNXEIA-INIZCTEOSA-N 412.494 1.990 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H](C)O1 1512502494 ZGXISQDSULXIFV-HZPDHXFCSA-N 412.494 1.821 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1512551785 DGABCTIOHHKSKI-MRXNPFEDSA-N 414.535 1.106 30 10 HDEE CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1513281328 HQTOUFCTRPKVNX-QZTJIDSGSA-N 417.558 1.609 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1513408082 GXWRGSHDJBXFFX-HOTGVXAUSA-N 406.531 1.986 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(Cn3ccnn3)o2)c1 1518824193 BLXQMCBVWRCTGV-UHFFFAOYSA-N 419.441 1.406 30 10 HDEE C#CCN(c1nnc(C2CCCCC2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1525907079 HGLKFHJVUHQISK-FUHWJXTLSA-N 406.552 1.989 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)O[C@H]2CCC[C@H](C#N)C2)C1 1528079618 CNTUTAOSJDDLMF-QCUYGVNKSA-N 412.508 1.894 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCNC3=O)ccc1F 1528386035 JPTQTBDNOUYXAS-UHFFFAOYSA-N 403.435 1.828 30 10 HDEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CCOCC1 1531380219 RXBWEORTNRADJP-UHFFFAOYSA-N 400.522 1.958 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OC 1531945775 SIEDOLQYJKUBOK-GDBMZVCRSA-N 411.524 1.683 30 10 HDEE C#CC[C@]1(C(=O)NCC(C)(C)CS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1534489124 BSDNXFGVBPQDRU-LJQANCHMSA-N 400.541 1.966 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3ccc(C#N)nc3)n(C)c2)C1 1537998298 FZLSARWSBLRPTK-CQSZACIVSA-N 401.492 1.989 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CCO1 1538538349 UGKKXOMAWJMLNB-OAHLLOKOSA-N 401.282 1.754 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539132802 RBURAAPBOMZTDE-AWEZNQCLSA-N 421.548 1.306 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 1539186507 SZQPZTNBUALWDX-IBGZPJMESA-N 410.566 1.973 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1539317832 JVKDPFPEYKEFAJ-RBUKOAKNSA-N 412.538 1.049 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCO[C@@H]1C 1539331518 RVGYKOHPKNVFMK-AUSIDOKSSA-N 408.502 1.902 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOC(C)C)CC1 1539436720 ZSVBOAZMUHHZCZ-UHFFFAOYSA-N 421.509 1.101 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CC2)CC1 1539576892 CRPOHQDPKMCUTB-UHFFFAOYSA-N 423.359 1.955 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1539735313 IQAHYKKYUSYXHF-OAHLLOKOSA-N 413.478 1.933 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1540004512 AHNXAHKFXHPATD-KRWDZBQOSA-N 419.555 1.655 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)cc2)C1 1540895493 TVTLABZJKBSXFW-SFHVURJKSA-N 424.505 1.329 30 10 HDEE C#CCCN(CCOC)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1540930244 VITLOQKHJYHMIF-NRFANRHFSA-N 401.463 1.269 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)nn(C)c2C)cs1 1542925803 HJRDBLCSPGCFEA-INIZCTEOSA-N 412.523 1.761 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC[C@@H]2CCOC2)cc1 1555991623 RUBAHUCPRRHLFV-SJORKVTESA-N 410.478 1.467 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1=O 1556439509 PJGVXZSFRLLCKA-KBXCAEBGSA-N 416.544 1.360 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(OC(F)F)CC1 1556641856 PWIQMMHSMNMBMH-XGNXJENSSA-N 401.435 1.892 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 1556915197 HWLGBQNBGGOHCG-XOBRGWDASA-N 421.519 1.805 30 10 HDEE C#CC[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1556970869 KUPQRCPYCHSULS-CYBMUJFWSA-N 402.266 1.045 30 10 HDEE C#CC1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1557169002 GKXGVHZYWPQRTC-UHFFFAOYSA-N 406.504 1.778 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3csc(C)n3)s2)CC1 1558075258 RJSKZWPUHGFJQJ-UHFFFAOYSA-N 410.546 1.405 30 10 HDEE CCO[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CN(C)C 1558265500 MTUVKCSZUICPOG-INIZCTEOSA-N 409.328 1.840 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nnnn2CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370408 NMTUEEYKXXGVOL-HNNXBMFYSA-N 402.499 1.487 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 1559915820 BDYRQUWMBPVVKF-RTBURBONSA-N 400.523 1.975 30 10 HDEE C=CCCn1cc(CN[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nn1 1560959505 GBINNQGGBMOAAW-LJQANCHMSA-N 406.508 1.826 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1562290952 FYBDLEPSHVEAIZ-SFHVURJKSA-N 400.479 1.949 30 10 HDEE COc1ccc(NC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1C#N 1563184479 GCGSGPQJHSANDO-UHFFFAOYSA-N 405.436 1.234 30 10 HDEE C#CCN1CCCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1586494051 RZEAYTDYWLZRSA-KRWDZBQOSA-N 406.527 1.060 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1586784420 YMEAEOYIFGKQMZ-OAHLLOKOSA-N 408.495 1.370 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)Nc3cccc(CC#N)c3)cnc21 1587601802 HTVTUUMDLWZTDM-UHFFFAOYSA-N 401.224 1.597 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1587990595 YXZDFYGAVDQYLK-INIZCTEOSA-N 411.487 1.953 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588030100 PMKBEYKTFYTZMG-OAHLLOKOSA-N 405.524 1.855 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)s1 1595269865 FJKCMXHHAMGYQF-ZYHUDNBSSA-N 412.455 1.981 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1595551764 UPXKHQLPXAGYOK-OAHLLOKOSA-N 416.530 1.353 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2c(Cl)cccc2Br)C1=O 1595751841 FRNQOLMZIBDEFV-UHFFFAOYSA-N 401.600 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1cccc([N+](=O)[O-])c1 1595830838 IIZWYLGYCUTNLQ-UHFFFAOYSA-N 417.451 1.931 30 10 HDEE COCCN(C)CCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619879700 BIWHRQLSRSVWQV-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1620070295 FGFIQGZQSQJAPB-OAQYLSRUSA-N 412.494 1.572 30 10 HDEE N#Cc1ccc(N2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)cc1 1620507629 RHHBSPKGECLUQQ-UHFFFAOYSA-N 424.505 1.356 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1C 1620635637 UBXMHISNMKUTLC-FXAWDEMLSA-N 400.504 1.420 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCC2=O)cn1 1623494670 PDRSMFFFPGLJOQ-PXNSSMCTSA-N 424.480 1.711 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1623973295 FHRUAKCVROULTF-IFXJQAMLSA-N 409.483 1.706 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(C3(C#N)CC3)cc1)CCS2(=O)=O 1627429638 GSXWOHJIRXMDJY-LBKMDBTOSA-N 416.499 1.871 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccc3)C2=O)s1 1632663202 HHTTZNWTWLYGID-INIZCTEOSA-N 419.528 1.677 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1632797662 UZCSAFNWWFDIPR-DNVCBOLYSA-N 400.479 1.206 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCCN3CC(F)F)C2=O)cc1 1632967701 XNMVRPWMDIEQNH-HZPDHXFCSA-N 419.432 1.609 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)[C@H]1CCCO1 1634470430 TUDYFLKWRMDVET-QZTJIDSGSA-N 407.511 1.977 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 1634566292 ZXPANJNRSCCXND-INIZCTEOSA-N 419.938 1.546 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)C1=O 1639593714 AFCAFMCBAOQCBM-JKSUJKDBSA-N 409.527 1.942 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@H](O)C[C@H]2C(N)=O)nnc1-c1ccc(Cl)cc1 1640503029 BIITVBFABGMKKH-KGLIPLIRSA-N 421.910 1.324 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC(C)C)C2)cc1S(=O)(=O)NCC#N 1641380064 KOZLFPMAUMFBBG-INIZCTEOSA-N 406.508 1.174 30 10 HDEE COc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c(Cl)cc1Br 1642149600 HKQNVYRGKJGNMP-UHFFFAOYSA-N 413.615 1.884 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 1644309683 XQGFAFKBWSIDRR-DFGXFYAUSA-N 417.531 1.991 30 10 HDEE C#CCN(C(=O)C1=CN(C)S(=O)(=O)N=C1C)C1CCN(C(=O)OC(C)(C)C)CC1 1645457905 GLUJNNNAFBQJFH-UHFFFAOYSA-N 424.523 1.383 30 10 HDEE CCOC(Cn1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)nn1)OCC 1645666487 NJEHLZDYYDIPFD-UHFFFAOYSA-N 413.478 1.985 30 10 HDEE N#Cc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)c1 1645989664 GXTHIRPDCHNPLA-UHFFFAOYSA-N 420.441 1.949 30 10 HDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1646064280 CKTAPMDIRPLIMH-SFHVURJKSA-N 421.457 1.757 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)CCOCC1 1648678438 CUXFBZBSDVQROE-UHFFFAOYSA-N 408.252 1.611 30 10 HDEE C[C@@H](CC(=O)Nc1cn(-c2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 1649039007 CGHWTGIKVBSVLQ-ZDUSSCGKSA-N 410.459 1.723 30 10 HDEE C[C@]1(c2cccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1652919009 CVCXHNJYHPSKNU-XMSQKQJNSA-N 404.426 1.827 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)C1=O 1663042156 BBILNHXHAQFUIQ-RDTXWAMCSA-N 405.520 1.954 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)C1CC1 1667249718 CEXQPDRLRHGXNF-JXFKEZNVSA-N 416.503 1.600 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(OC)c(Br)cc2OC)CC1 1671634968 NAOOHXANFLFFJH-UHFFFAOYSA-N 417.325 1.842 30 10 HDEE C[C@@H]1CN(C(C)(C)CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 1676296662 GZUJMERKAHDASQ-IAGOWNOFSA-N 400.527 1.673 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 1682296998 WVQCQIDTNKKYBE-ZDUSSCGKSA-N 415.231 1.303 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1 1683979023 NDSJPKITGAFOPB-UHFFFAOYSA-N 402.472 1.980 30 10 HDEE C#C[C@H](NC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1684037268 WHVWIUWEHXKUSL-PMACEKPBSA-N 415.490 1.879 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689964291 KKKKUQWEAFUWRX-HXUWFJFHSA-N 423.565 1.827 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689988838 XFXLBPIFSFUONJ-ZWKOTPCHSA-N 419.595 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1690095977 KJVVTIVJKQGGIP-UHFFFAOYSA-N 417.477 1.348 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ncn(C)n1 1690097570 JHUMNFKWKOVDJK-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 1690099994 TZSKTMOEYDKFGO-UHFFFAOYSA-N 408.466 1.166 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1690196801 YTODFLMTODFFHY-HXUWFJFHSA-N 412.519 1.748 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2CC)n1Cc1nnn(C)n1 1690214400 IVSBLFCWGOKHJG-OAQYLSRUSA-N 406.494 1.983 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1690497934 YPKLZWWWIKZSTD-FQEVSTJZSA-N 413.482 1.220 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1690577551 JGNOLBCAXIMYSI-AWEZNQCLSA-N 408.549 1.959 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1690600874 HLXPZTNSNHRNAR-UHFFFAOYSA-N 402.543 1.690 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(N)=O)cc1 1690622363 NMWMYFSEWOAZAR-MRXNPFEDSA-N 413.482 1.407 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690722539 NACRKENCPNHTOQ-NVXWUHKLSA-N 407.540 1.746 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1691111123 YPVCXBCRDMWRGD-LSDHHAIUSA-N 412.485 1.660 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)N2CCOCC2)cs1 1693352951 ODEPMFHQDVGOKB-IFXJQAMLSA-N 419.530 1.797 30 10 HDEE Cc1nnc(N(C)CCOCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693464087 MXZPRDKPZDDAMF-FMQUCBEESA-N 410.478 1.766 30 10 HDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1695009717 FDJFKJPXAIWREC-GOSISDBHSA-N 423.521 1.838 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1696476278 DPLXZBHGUCDMDK-UHFFFAOYSA-N 413.507 1.584 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1696891846 LHQDSKQVAXIGPO-HOTGVXAUSA-N 424.461 1.703 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1705521503 CZCVOPCDYRIIGE-NRFANRHFSA-N 418.542 1.585 30 10 HDEE C#CCN(c1nnc(C)n1CC1(SC)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705559988 CUKWOSYGHRRMFV-MRXNPFEDSA-N 411.597 1.041 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1705605420 KOCCOYYWEWDWJC-WFXMLNOXSA-N 406.527 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCOC)CC1 1705647667 KOSBPZRYRNQYLS-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705752646 BWWQHNYCEKUAIV-GJZGRUSLSA-N 405.890 1.776 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N2CCOCC2)CC1 1705771065 GEPAYUQHBWSEQC-UHFFFAOYSA-N 413.526 1.545 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705909250 RIMBIYKEQDDRIG-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2snnc2C)C1 1705916402 KFYMXBXGIOAWFN-DNVCBOLYSA-N 420.539 1.920 30 10 HDEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)o1 1712881368 QWKHHAQYFZGHNP-OAHLLOKOSA-N 423.458 1.511 30 10 HDEE C#CCCCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1718299216 MSCWCCNPRXWXMG-LHQQFIGISA-N 400.519 1.823 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722343198 FCNMSNHIMXZCFO-LJQANCHMSA-N 410.540 1.355 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccccc12 1722343513 CHEXJGMDJGLLBK-AWEZNQCLSA-N 400.508 1.682 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722345350 OXAGKWDOLHTYSB-LSDHHAIUSA-N 419.448 1.335 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722370768 QEJNLVJUIKMMRL-FUHWJXTLSA-N 416.503 1.510 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@](C)(CC)O1 1722373403 MTWUSSPECAEXNW-TXPKVOOTSA-N 407.540 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)nc1 1722379304 ODTMWKQOCBAJCO-UHFFFAOYSA-N 400.490 1.795 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1722732904 SAUGTEFRZIOZFX-MCIONIFRSA-N 403.574 1.421 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726740909 GMYFFWYLPUDTHO-ZJPYXAASSA-N 404.515 1.358 30 10 HDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729162593 ROKGOMQIDOEWAV-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1730878864 XDSNCGOJOZTPJI-GOEBONIOSA-N 415.450 1.508 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1740533681 TVQVPHQYGLXEIC-UXLLHSPISA-N 416.551 1.861 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1740668167 FRELCDRBVUGOEM-HXUWFJFHSA-N 410.503 1.921 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H]2COCCO2)CC1 1740697715 DKAWNSXEGGPOKE-SFHVURJKSA-N 416.551 1.195 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)nc1 1740733676 JTUPBYMJQDQDRD-JOCHJYFZSA-N 407.522 1.902 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1740768202 HBIDRIOWTSRGBI-LJQANCHMSA-N 412.556 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1740988643 LJCLNFLOBUQPCZ-UHFFFAOYSA-N 423.926 1.526 30 10 HDEE CC(=O)N1CCC(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1741024616 MZKDTPIFKHXZHZ-GOSISDBHSA-N 414.535 1.918 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(OCCO)c(OC)c1 1748665388 QEWVCLBSFFXUFY-OAHLLOKOSA-N 408.462 1.621 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCc1cccc(C(N)=O)c1 1748793384 ICEXIQBUBREJJR-UHFFFAOYSA-N 413.485 1.928 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccccc2)CC1 1748993537 BJIKYNMYUMHQQH-DEOSSOPVSA-N 416.529 1.927 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749189801 TYZINMHTMRJUSF-HUUCEWRRSA-N 414.514 1.634 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749368351 GWHYVIHJGASMRQ-GJZGRUSLSA-N 409.556 1.449 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1749452245 STJKUUFBLAJSKD-QGZVFWFLSA-N 402.499 1.218 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1749461491 BMODEEAGVPDCJW-LJQANCHMSA-N 412.538 1.940 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1749530946 ACPCDIXFJSEKOH-FQEVSTJZSA-N 415.519 1.454 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(OC)CC1 1749650183 MSURZYQPSYGGMA-HXUWFJFHSA-N 404.515 1.212 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)COC(=O)N2 1749671496 CLMKUORCHCJGMG-UHFFFAOYSA-N 424.505 1.558 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760157575 UBJUPEJNMIWQEE-UHFFFAOYSA-N 400.527 1.509 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760161639 MIDMMDYSVSCASA-QZWWFDLISA-N 412.556 1.673 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760188371 KHKKYHKYKJADSL-SJORKVTESA-N 416.551 1.242 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCN2CCC)CC1 1760259326 ACZSJEWFLKXAAS-IBGZPJMESA-N 408.554 1.755 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(C)(=O)=O 1760336099 UWIHSBPLZSVIAO-ZBFHGGJFSA-N 406.512 1.197 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760359035 BCKJKLIJLYQGEK-MSOLQXFVSA-N 402.543 1.666 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)CN2CCCC2)CC1 1760382697 WPCNJMMQWHZLNK-IRXDYDNUSA-N 410.588 1.777 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1760421533 RWTHODXUZUKFIJ-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760515681 FTTOWGDHHRLMGR-RDJZCZTQSA-N 401.515 1.888 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1761211157 IIRQBMQFSLWZLE-GOSISDBHSA-N 417.558 1.393 30 10 HDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cnn1C 1761639136 AIZQZACRYMEAMZ-LJQANCHMSA-N 418.461 1.548 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1767105549 UVXMRSNCXQFXKL-ICSRJNTNSA-N 415.586 1.938 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1 1768280712 GGTYVZNKURWUIR-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCC1 1771368115 AUHINNNGNYDUQL-LJAQVGFWSA-N 412.519 1.444 30 10 HDEE C=CCN(C(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)[C@@H]1CCN(C)C1=O 1849230338 TUSPWUWVCSEDFH-XJKSGUPXSA-N 402.520 1.404 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)NCC#CCN3CCc4ccccc4C3)ccc21 1849281462 WIHDDRNUZOSGHD-UHFFFAOYSA-N 423.538 1.936 30 10 HDEE N#Cc1cccnc1N1CCN(CCOCc2nnnn2-c2ccc(Cl)cc2)CC1 1852245685 QMNRAQLZDXFOBJ-UHFFFAOYSA-N 424.896 1.921 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3)C(=O)C2)C1 1853679958 WNRFZXFHZFQYAF-LJQANCHMSA-N 411.506 1.103 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1853741910 QAMKRTPLFCAEFT-QZTJIDSGSA-N 403.504 1.127 30 10 HDEE C[C@H]1CN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCN1S(C)(=O)=O 1853989126 CXZUMJPCQIIWKJ-MAUKXSAKSA-N 418.519 1.045 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(COC)cn2C)C1=O 1854189378 HKUBSYDOIRYALA-ROUUACIJSA-N 416.522 1.412 30 10 HDEE C[C@H](C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854798399 GQQITRFNFCKHQS-QAPCUYQASA-N 408.462 1.382 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855002850 JCWIJXMKLVQXGB-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(Br)cc3)C(=O)C2)C1 1855019876 YXMZIPBUJUGPLY-MRXNPFEDSA-N 405.296 1.721 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(c4ccccn4)CC3)CC2=O)cc1 1855157526 MTQBMDNMIBFCTG-FQEVSTJZSA-N 403.486 1.693 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)Cn3cnc(C4CC4)cc3=O)C1=O)CC2 1855176383 KMFWUOBTNHRLQI-SJLPKXTDSA-N 409.490 1.264 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3Cc4ccccc43)C2)C1 1856379280 SGANTULBROTTCG-HNAYVOBHSA-N 402.454 1.731 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccccc3-n3cnnn3)C2)CC1 1856948598 RDRRZDAFCZIZSY-KRWDZBQOSA-N 407.478 1.667 30 10 HDEE CC(=O)[C@@H](C(=O)N(C)C)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C12CCCC2 1857242274 CBWATHOGLXNYOZ-SFHVURJKSA-N 410.474 1.201 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1[C@@H](C(=O)N(C)C)c1ccccc1 1857461632 WVVKKPHOBIUNNL-HNAYVOBHSA-N 405.458 1.456 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861205306 ZCAAMULOGMRMGX-SCTDSRPQSA-N 405.926 1.816 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(F)cc2)cc1 1870107530 MTQAYKASHIVVIT-UHFFFAOYSA-N 414.422 1.961 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1872597118 IFPTWYBDNJKXJN-LJQANCHMSA-N 401.488 1.837 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3C)C2)CC1 1872934743 RUAGHOJSMLHQTE-MRXNPFEDSA-N 414.462 1.797 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccc(O)cc3)ncnc21 1875231118 AJLACJCWVSVZJF-UHFFFAOYSA-N 411.462 1.362 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2ncnc(Cl)c2C#N)C1 1877648940 UJLRTWPFLWGUGO-MNOVXSKESA-N 401.876 1.446 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 1900425730 FIWJOZOLGXCYSW-NEPJUHHUSA-N 406.292 1.115 30 10 HDEE O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCSC1=NCCc1ccccc1 2040436529 RCKSFFQLHFBSNY-RNIPGJKVSA-N 409.511 1.968 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 2118165884 FUMWDEIAELTKQP-KRWDZBQOSA-N 416.459 1.269 30 10 HDEE CN(Cc1cc(C#CCN)cs1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161946513 FKDSCKHZBSSMOC-UHFFFAOYSA-N 405.545 1.636 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CCS)C(=O)O)C1(C)C 2180235633 GCLDFEQVELZVKD-IUUKEHGRSA-N 404.529 1.974 30 10 HDEE CCOC(=O)NS(=O)(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186627379 LQMMJIGYLQXHFG-VIFPVBQESA-N 405.307 1.084 30 10 HDEE CN[C@](C#N)(Cn1cnc2c(Br)ncnc21)C1(Br)CC1 2206648351 OGWMEUPRJVXRLD-GFCCVEGCSA-N 400.078 1.998 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)nc1Br 2214363240 ONQDMLBDKPHHOU-JTQLQIEISA-N 400.277 1.501 30 10 HDEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217477458 XJKVMAGXRMCFQF-HZPDHXFCSA-N 419.331 1.967 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](S(N)(=O)=O)CC2(C)C)C1 2239524434 AXTSEPOJLKYUMD-ZDUSSCGKSA-N 401.529 1.516 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2243109131 XPXHYKXIYGLORD-GJZGRUSLSA-N 405.304 1.773 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2243379662 NLCRTCWLOSIRCS-KFWWJZLASA-N 408.304 1.402 30 10 HDEE COC(=O)[C@H](CCNC(=O)C#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243394443 HSGYOSALDOILLR-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2247930877 WFVAZPUCOSQYEV-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270538772 IXDKDOHFNFJANF-QZTJIDSGSA-N 422.503 1.677 30 10 HDEE CN(C[C@H]1COCCN1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281982823 WNTUWLXRTBRHMH-NSHDSACASA-N 400.737 1.761 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CC1 2281997879 HXGFKRXCNBGYAH-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC(F)(F)CO 2282302460 WLQCEAHPKXWQGP-UHFFFAOYSA-N 411.301 1.652 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282312117 RENAJWQASXSURC-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](N)CC1 2282326161 ORHSGJMMUKGZPO-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)c3cscn3)s2)OC1(C)C 2282332615 DOWSDDTXEKTGMO-JTQLQIEISA-N 416.355 1.516 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(F)(F)F 2282351789 GISOBAXVLRRLDU-LDYMZIIASA-N 415.264 1.637 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282415148 CPRSCRKJXSYBNZ-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](N)C3CC3)c(Cl)c2)OC1(C)C 2282492766 SRNZFAYPDFAWSK-AWEZNQCLSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@@H](CN)C3)c(Cl)c2)OC1(C)C 2282495103 HSNJSFIAQZRSCO-BJHJDKERSA-N 400.737 1.655 30 10 HDEE COC[C@@]1(F)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498586 GUMOTHWCPIYFMV-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282603990 NKSQSHRZPLDFRB-MZHQLVBMSA-N 400.375 1.965 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)O)C1 2282830961 CIPXEYIMYGIVKN-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2(O)CCC2)OC1(C)C 2282837393 DNUPJLMCNYOPIC-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](N)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282845878 ACNYARGRERGOKN-ZDUSSCGKSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H]4[C@H](C3=O)C4(F)F)c2)OC1(C)C 2282848899 UELNLRQNMGHHGD-MWLCHTKSSA-N 405.253 1.460 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2282871427 GWXBTIFIWIJSQN-QGZVFWFLSA-N 423.340 1.701 30 10 HDEE CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284401542 BLYBLDGLGAZCNT-NSHDSACASA-N 403.331 1.921 30 10 HDEE CCC[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401866 FCGSQZRVMXVFOA-NSHDSACASA-N 403.331 1.827 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1C[C@@H]1C(=O)O 2284404095 WHJOUVMHXULSGN-WCQGTBRESA-N 401.315 1.435 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284410664 DBDRRZAVSWLTHK-LLVKDONJSA-N 403.331 1.887 30 10 HDEE CC(C)(CCC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284417237 IHQHFURWPHFXAA-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(C#N)ccc1Cl 2287302240 GYJMOLDKELXUJT-UHFFFAOYSA-N 415.899 1.814 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2302851193 AKLSEAVBXQDBQF-CQSZACIVSA-N 413.283 1.835 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CC[C@H]3[C@@H]4N)cc2Cl)OC1(C)C 2359272605 CGSZNDVTMWUTEA-XHVZSJERSA-N 418.777 1.811 30 10 HDEE C=C[C@H](NC(=O)N(C)Cc1c(Br)c(Br)nn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c1nccs1)NC(=O)OC(C)(C)C 2367784069 AHRKTKUOQYFYCD-KGLIPLIRSA-N 413.565 1.748 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CC1 2367800385 JEJWEMKIXASBIB-INIZCTEOSA-N 400.541 1.261 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367832040 WRJSVANVYQOTRX-OAGGEKHMSA-N 402.557 1.457 30 10 HDEE C#CC[C@@](C)(CO)CNC1(C(=O)O)CC(CSC)(NC(=O)OC(C)(C)C)C1 2377389840 OXHNBXIFDFEAGA-LMDPOFIKSA-N 400.541 1.842 30 10 HDEE Cc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)no1 59888384 GZVDSKJVBSQYSD-REZTVBANSA-N 419.471 1.084 30 10 HDEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccccn1 170353459 VCVPIAFVQXNDFN-INIZCTEOSA-N 401.444 1.854 30 10 HDEE CN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409478059 ZBHRUDZRRATIIA-VBNZEHGJSA-N 402.879 1.283 30 10 HDEE CN(C)c1ncccc1N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 430460039 LMVMZQBMDOTZJY-INIZCTEOSA-N 406.446 1.887 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(CC#N)CC1)n2C 431131914 GVEQKKKNOQRXSX-UHFFFAOYSA-N 403.508 1.566 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 433183044 QZBLHVCKSDKCHB-VIFPVBQESA-N 422.264 1.964 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nc(O)c(C#N)c1C 439942271 KSGMJFYFFBHOMV-LMSBXDPUSA-N 415.446 1.160 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H]2c2ccnn2C)cc1S(=O)(=O)NCC#N 467733281 ZXQCFEFEOGEYHQ-QGZVFWFLSA-N 401.492 1.898 30 10 HDEE Cc1cc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(C)c1O 470896904 JALVNTBACHLHFB-HNNXBMFYSA-N 401.488 1.906 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nc(C)cc(C)n4)CC3)cc2C1=O 493877276 TUAMAFMQBKLKSX-UHFFFAOYSA-N 405.458 1.838 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 504086476 KVNBLEZPSWCHFK-UHFFFAOYSA-N 400.523 1.803 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 506049141 JIXXOUAGCFMISW-UHFFFAOYSA-N 404.474 1.877 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(OC)ncn2)CC1 508478609 SCZWXOUEOLNLPP-UHFFFAOYSA-N 421.465 1.237 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 508690678 KQOKRDNKTLWYHR-IBGZPJMESA-N 419.489 1.766 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(N2CCNC2=O)CC1 508845383 BJNPYDMOLIYBAI-UHFFFAOYSA-N 420.481 1.101 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508902929 MKPRRFCDAQKCDW-MRXNPFEDSA-N 422.493 1.883 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 509003214 WAADBSBXOAZUBZ-IBGZPJMESA-N 401.492 1.251 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](CNS(N)(=O)=O)C3)cc2)nc1 523529187 HCEKWXPKGSXSKQ-HNNXBMFYSA-N 415.475 1.391 30 10 HDEE CCN1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(F)c(F)c(F)c1 543893554 ZFFPDDFVXDBXON-ZBFHGGJFSA-N 407.396 1.620 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)c(C(=O)O)c2)CC1 548210297 JZRHGMUQSQLHIC-UHFFFAOYSA-N 400.460 1.809 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(N3CCCCC3)nn2)CC1 585470730 QVWLXSISPZFBJX-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE COc1ccc(C)cc1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860472 HDJMOFRAGVORAM-UHFFFAOYSA-N 424.476 1.975 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4cccc(O)c4)n3C)n(C)c2=O)cc1 606630026 IYHCCCKTUBESKG-FSJBWODESA-N 418.457 1.942 30 10 HDEE C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)N1C(=O)c2ccccc2C1=O 608951300 BEZGVPXXRIJOOD-CQSZACIVSA-N 403.442 1.723 30 10 HDEE Cc1nc(=NC(=O)COc2ccc3c(c2)CCC(=O)N3)n(-c2ccc(C#N)cc2)[nH]1 610109872 GZEPTUCDIDWTRY-UHFFFAOYSA-N 402.414 1.772 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 612802461 WWWOEUVBUGYJND-UHFFFAOYSA-N 413.503 1.143 30 10 HDEE COc1c(F)cc(CC(=O)N[C@@H]2CCc3cc(C#N)ccc32)cc1S(N)(=O)=O 618734406 CWMKGTLCTBZCND-MRXNPFEDSA-N 403.435 1.700 30 10 HDEE Cc1cccc2c(=O)n(CCC(=O)N3CCN(c4ncccc4C#N)CC3)cnc12 619228339 LGLSDSZKLOJEBN-UHFFFAOYSA-N 402.458 1.711 30 10 HDEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 619852786 BDCSUJWWRFGAJV-LHSJRXKWSA-N 423.452 1.813 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 702783929 JFNAMBFEPDMUJR-GXTWGEPZSA-N 415.899 1.718 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Cl)CC1 731893721 TUOKIQNPSAUYSJ-UHFFFAOYSA-N 413.927 1.194 30 10 HDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(C2CC2)C1 732166760 SEZVVXBNLAVHOF-KRWDZBQOSA-N 418.563 1.981 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 738169812 MFQMMRVHDHYULJ-NRFANRHFSA-N 424.549 1.382 30 10 HDEE NS(=O)(=O)c1cccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c1 743277923 WPYPVDUXOXRPBD-AWEZNQCLSA-N 410.521 1.583 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743305402 AUWJGZCJDXGNAG-XJKSGUPXSA-N 417.487 1.362 30 10 HDEE COc1ccc(CNC(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 746727369 CPYLPUDLVPCROS-QGZVFWFLSA-N 408.506 1.972 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@@H](C)Oc3ccc(C#N)cc3)cn2)c1 749003717 RBUUWNKKACMPQF-CQSZACIVSA-N 411.443 1.720 30 10 HDEE Cc1c(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)cccc1S(N)(=O)=O 754331386 ZUJALALYIILVQF-UHFFFAOYSA-N 407.835 1.963 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCOC[C@@H]2CCO)cc1 767593217 HYKKCSZFDRGDGX-SFHVURJKSA-N 412.490 1.996 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1C 770242485 RKEIMFOUJSISOT-CYBMUJFWSA-N 406.323 1.569 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 772906311 SRIGEHCRVAAVIW-XAGMJWQQSA-N 424.379 1.997 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)c1 779616422 RVUZAFXGEVQHLE-UHFFFAOYSA-N 411.483 1.393 30 10 HDEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 779756179 PODXVGHWIYCXEX-OAHLLOKOSA-N 404.492 1.893 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 780690416 ZKUCGDIPDAXCCH-HZPDHXFCSA-N 413.540 1.608 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780940643 PIEOPYDLRYZWDD-OAHLLOKOSA-N 419.425 1.407 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)cc1 783064573 HKIHRGUDYDWEHI-SFHVURJKSA-N 407.455 1.975 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1 784707559 OBRPOTRENSGLRH-VOTSOKGWSA-N 409.508 1.962 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786687160 FTEOMORNMADCEX-OAHLLOKOSA-N 409.533 1.497 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCN(c3ccccc3)CC2)n1 788864696 XPFPKVXVCKGTMQ-UHFFFAOYSA-N 424.549 1.497 30 10 HDEE Cc1cncn1C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 793847881 JTXUIAXVRSUDHN-CQSZACIVSA-N 415.519 1.872 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CC(=O)N3CCC[C@H]23)c([N+](=O)[O-])c1 799465048 XKLZQTGVDPUOHC-OAHLLOKOSA-N 409.468 1.788 30 10 HDEE CS(=O)(=O)N1CC[C@H](COC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 801320798 ZLHHGBKWJZZNMB-HNNXBMFYSA-N 402.476 1.902 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccc(Cl)nc3)CC2)c(F)c1 804162600 MTTHQXALSKPDKE-UHFFFAOYSA-N 415.856 1.706 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 805250339 QZENAENYFFAMGL-QXLXQBSBSA-N 423.535 1.660 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 915407887 HEZWLFRYTMXSBA-BIWSTMPVSA-N 424.523 1.741 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1I 1128703172 HBUZQKAJJQPTRW-ZDUSSCGKSA-N 402.192 1.773 30 10 HDEE CCc1nn(C)c(C(N)=O)c1NC(=O)COc1ccc(C#N)c(Br)c1 1132473061 FOYLWDNYHVPXTC-UHFFFAOYSA-N 406.240 1.733 30 10 HDEE O=C1C=COC2(CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCCC4)s3)CC2)C1 1134300984 GYXJBBKTPNDSQS-UHFFFAOYSA-N 424.544 1.939 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2=O)c1 1139683887 LBODBMHNGMFLOQ-MAIVGLDJSA-N 411.389 1.915 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1154959641 VEIURULOPSRQGM-HZPDHXFCSA-N 401.511 1.962 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c1 1156867643 XVAWPTCCEICIRP-JOCHJYFZSA-N 407.474 1.084 30 10 HDEE N#Cc1csc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 1157492716 JAIJJZHLEHYPSB-CQSZACIVSA-N 406.489 1.402 30 10 HDEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCCN(O)C1=O 1159641127 DCAMVWMDNGJAHD-HUUCEWRRSA-N 421.498 1.874 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H](c2ccccc2)[C@@H](O)c2ccccc2)c(=O)nc1O 1160424889 FXDYWOIDTZJJDP-UXHICEINSA-N 404.426 1.802 30 10 HDEE CC(C)(C)N1C[C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1167408901 ALMSLRDFPXOIPL-AWEZNQCLSA-N 420.535 1.269 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176701847 VDDLEDNRHFJBOE-TWOQFEAHSA-N 416.503 1.201 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@H]1CCCc2ccccc21 1178954787 PKMLDSNIGGEDQK-GGPKGHCWSA-N 414.527 1.561 30 10 HDEE C#CCN(C(=O)NCCCN1C(=O)CCC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1226620966 YPISGRVZIOSDJC-UHFFFAOYSA-N 420.510 1.570 30 10 HDEE C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1227044050 WHMDNOGSQIIJHP-UHFFFAOYSA-N 404.895 1.012 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 1227412732 ZMFIXAZHLIRKDD-OAHLLOKOSA-N 402.432 1.547 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286385733 OOUUQFRVROUECU-WBVHZDCISA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286387756 UXJPIXZIHXHSAZ-IRXDYDNUSA-N 419.551 1.725 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1286394957 QHZZEHDKRSPQMM-IRXDYDNUSA-N 422.551 1.368 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1286433691 ZEJMKKCNAMKTBQ-UHFFFAOYSA-N 410.522 1.761 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286448197 XHAZQPKRWVTCAN-HXUWFJFHSA-N 423.565 1.666 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286723261 JQPHPBLYUHOLOM-VQTJNVASSA-N 424.549 1.856 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286790175 OIHUFLMEYIYEKI-YOEHRIQHSA-N 415.567 1.609 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286820849 TYDZHHCOYQUBNV-MRXNPFEDSA-N 422.555 1.093 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286825699 UVCXBSSPMMNZCX-YLFCFFPRSA-N 410.540 1.449 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1286840000 AHAQXMWHXRMUJJ-HXUWFJFHSA-N 424.505 1.679 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCN2CCCO)n1 1290588727 AAPWQVUIQGWVRY-MJGOQNOKSA-N 414.558 1.725 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2nc(CC(N)=O)cs2)C1 1291981839 SLOJYUWJSNNNPM-UHFFFAOYSA-N 420.292 1.880 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2=CS(=O)(=O)CCC2)n1 1292627492 OCRRVDNMGQRFKX-UHFFFAOYSA-N 411.534 1.831 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1299684126 LCQWTGVQIGMWPG-QGPMSJSTSA-N 419.503 1.195 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1300293829 SKGVLAYGEDMXPX-OAHLLOKOSA-N 401.492 1.336 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1300531524 CXGITDHJUFJFQY-HXUWFJFHSA-N 413.485 1.595 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCO)CC1 1300697931 LIGYXVRVMGZIEE-UHFFFAOYSA-N 421.505 1.512 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOCC(=C)C)CC1 1300719466 BWYIFERLYIFVLV-UHFFFAOYSA-N 408.506 1.899 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1300762084 HGLHUUJHRXBLLS-KRWDZBQOSA-N 423.608 1.079 30 10 HDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1300778279 QXSVKFLOSFQMAZ-KHYOSLBOSA-N 422.507 1.411 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1301120236 LHVJYQLFKYHAQE-RTBURBONSA-N 416.570 1.988 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1301281811 ZNFAKQMXAJGPSZ-UHFFFAOYSA-N 421.509 1.946 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301326977 KAVVFVNPQRTQDI-SFHVURJKSA-N 402.543 1.491 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCC2(CCOCC2)C1 1301477751 DTFTWFGLMNZHAS-UHFFFAOYSA-N 404.515 1.116 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1301590883 JUDMNVYVZNKEQY-UHFFFAOYSA-N 406.512 1.181 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C(C)C)[C@@H](O)c3ccccc3)CC2)o1 1307752798 BMAUZSACGJIUCV-RTWAWAEBSA-N 411.506 1.851 30 10 HDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)CC1 1313258826 VPXNWUSYOAJRKV-CALCHBBNSA-N 414.572 1.414 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)NCc3nc(C#N)cs3)C2)C1 1313351612 WDYBQICRZUEKMJ-GOSISDBHSA-N 407.496 1.936 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1315079463 QQARRHLLNNOZHM-VGSWGCGISA-N 422.489 1.684 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CC(=O)NC(CC)CC)CC1 1324408671 ZDAFUDLYIZZIGF-JRHPMUGDSA-N 401.551 1.641 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1342019676 QQDISJBHIFWGRN-RTWAWAEBSA-N 414.462 1.619 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCOCC1 1352315537 YIBIDIQJYDBXLX-UHFFFAOYSA-N 413.446 1.508 30 10 HDEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358904847 NAROPYDZSZUOKA-SFHVURJKSA-N 414.554 1.866 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963827 OQJKZSTUNVHTAY-QZTJIDSGSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H](O)C1 1358974290 YAZJBNAPGVREGN-XLIONFOSSA-N 416.489 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC 1358985344 WOOGOAZYZITJEG-MRXNPFEDSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(CC)s1 1358986497 XWQSAAGGJWHRHI-FQEVSTJZSA-N 414.535 1.855 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](Cc2ccccc2)OC)CC1 1359028618 YDCXIQHBKYKTNP-FQEVSTJZSA-N 424.549 1.429 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)CC1 1359098019 WNDXJFFLMIPALH-MJGOQNOKSA-N 413.526 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359297555 UNPOATHACQXFLV-MRXNPFEDSA-N 417.535 1.569 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359303832 CCZRHEWZIFEGQB-DLBZAZTESA-N 400.527 1.719 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)C1 1360785276 SLQZNXDYNYOIJD-FQEVSTJZSA-N 414.535 1.919 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccc3c(n2)OCCO3)nn(-c2ccc(F)cc2)c1N 1441245880 SMDCLUSFTVBJCB-UHFFFAOYSA-N 422.420 1.994 30 10 HDEE N#Cc1ccc(Oc2cccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)c2)nc1 1444601949 AECRNDVGNCRDDG-AWEZNQCLSA-N 401.448 1.600 30 10 HDEE C#CCCN1CCC(NC(=O)Cn2nc(Br)c(Br)n2)CC1 1444693848 YWHXKFMATZFJKK-UHFFFAOYSA-N 419.121 1.407 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1=O 1448760180 YXKAJWCFSSUMNB-IBGZPJMESA-N 402.455 1.647 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 1449880960 IFGORNRFSPUAPM-CQSZACIVSA-N 424.947 1.732 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@H](O)C(C)C)c1cc[nH]n1 1454028740 KYENUPNBROHDME-PKOBYXMFSA-N 402.451 1.568 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)NCC#C[C@H]3CCCCO3)CC2=O)cc1OC 1457030427 NSIYQBNLZWVTFJ-RBUKOAKNSA-N 414.502 1.784 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3snc(C)c3C#N)cc2S1(=O)=O 1459425855 RIXJHCVIUFWFTN-UHFFFAOYSA-N 406.445 1.366 30 10 HDEE CC(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1460552097 GWXIJAORYOPSSZ-RTWAWAEBSA-N 415.513 1.525 30 10 HDEE COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 1461920271 BDYZNCSVFRZMQK-UHFFFAOYSA-N 402.476 1.190 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 1463990714 BEFCMLQGKZNCGX-LESCRADOSA-N 424.519 1.628 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1464180167 NZBSIZDGUQUOPM-GFCCVEGCSA-N 406.298 1.791 30 10 HDEE C#CCN(CC(=O)NCc1cccc(CN2CCN(C)CC2)c1)C(=O)OC(C)(C)C 1464787601 VHEFDUCWMMVRLP-UHFFFAOYSA-N 414.550 1.921 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)s1 1465093336 OYENMKVSQJVERR-RYUDHWBXSA-N 408.567 1.035 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](NC(=O)NC2CC2)C1 1466689473 BONJEBFLILTKAC-LBPRGKRZSA-N 407.268 1.762 30 10 HDEE CCc1ccc(C(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1467722127 COVPWHUDPIGLKA-UHFFFAOYSA-N 414.487 1.467 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(CNC(=O)O2)C1 1469202768 APQYESCPQCWTAZ-UHFFFAOYSA-N 410.224 1.419 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC3CC(N4CCOCC4)C3)ccc2c1=O 1472580936 FRANXZMHBHTJGY-UHFFFAOYSA-N 400.504 1.464 30 10 HDEE C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1cccc(C#N)c1 1472616827 FHVGSTSUZNOPJF-ZDUSSCGKSA-N 406.446 1.740 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)C1 1475667106 BCHOKEUGVXHSTQ-GFCCVEGCSA-N 404.410 1.868 30 10 HDEE C#CCC1(NC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CCOCC1 1478126603 XELZJVKTIAKGDD-GOSISDBHSA-N 401.463 1.681 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1479068938 LOLLYUHNDAVJGS-PMACEKPBSA-N 422.489 1.412 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCC2(CC1)C[C@@H]2NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1479982158 FUDOAHFAFYYRGG-JJMGOROYSA-N 401.551 1.805 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC 1497055593 HNFOSPMKBYCSCI-KRWDZBQOSA-N 403.531 1.410 30 10 HDEE CCO[C@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1502695072 ISDPHXCVWAHPIK-KBZZJAQTSA-N 416.482 1.057 30 10 HDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1507657333 PTOIPGVWQVBZID-UHFFFAOYSA-N 418.545 1.241 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCC)CC1 1507718141 CCIZSBWPYBFGOM-VXKWHMMOSA-N 419.570 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(C)on2)CC1 1507736142 FNCFXSUXEAOICB-UHFFFAOYSA-N 407.478 1.594 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507755694 BYXIWZYXXFDKGJ-ROUUACIJSA-N 407.584 1.728 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507864893 HEKGLHFTPFBKOL-BMGDILEWSA-N 422.961 1.523 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC(F)(F)C1 1508038261 HGLDGLWIHXSDNM-AWEZNQCLSA-N 404.483 1.864 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCNC(=O)CC1 1508085762 HNCHYVVCRCCXOD-UHFFFAOYSA-N 421.461 1.229 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1510322452 BCFLXYGNMBAZBL-HBUWYVDXSA-N 411.503 1.437 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@@H]1C 1512331033 DPXRKLBUVNEYTH-IAGOWNOFSA-N 424.505 1.822 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C)cc1OCCOC 1516608754 IXWIAVXXYONYEJ-SFHVURJKSA-N 415.494 1.925 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCC(C#N)CC1 1516834404 LXZBUSVRDDWIEZ-UHFFFAOYSA-N 406.512 1.916 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](C)n1cc(Br)cn1 1517928579 HMKQXGSSITTYAH-CHWSQXEVSA-N 418.299 1.996 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1519446121 BAIBUHHKJQUTJY-YJNKXOJESA-N 413.425 1.155 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c(-c2ccc(C#N)cc2)n1 1522166255 ARLBODZJRTUPRD-HDICACEKSA-N 403.442 1.526 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1 1523991190 KKVYSFHMYRGJLP-UHFFFAOYSA-N 412.328 1.142 30 10 HDEE CCCNC(=O)CN1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1525202031 DPJOKZXSURNFEL-QGZVFWFLSA-N 423.558 1.680 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)NCCN1CCOCC1 1526760303 ADSPQYNEYFVILT-BBRMVZONSA-N 407.902 1.200 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1536179857 MRKUECSPXJGOJW-RYGJVYDSSA-N 423.535 1.729 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1537509905 WBEYMLLSGLRRET-NRFANRHFSA-N 413.453 1.858 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1538630564 LZIFJVNQASZDMM-YOGCLGLASA-N 413.293 1.924 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1538886999 HANYDDFFHJTQII-NRFANRHFSA-N 411.458 1.626 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1539044988 ODSBBJDVKZBZKI-OAQYLSRUSA-N 410.478 1.725 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1539058407 DINNNMRNUGUPOX-HNNXBMFYSA-N 407.482 1.424 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1539167324 ALLYAKPGWRAJOM-NDEPHWFRSA-N 420.564 1.219 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1=O 1539512942 AUEGBLCHIKFHGY-BXUZGUMPSA-N 411.336 1.014 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1540027048 OBJAPJFMYSELIE-UHFFFAOYSA-N 424.509 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(CCS(C)(=O)=O)C1CC1 1540865767 RKFWMZJJLPSMHL-UHFFFAOYSA-N 407.496 1.162 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1540873248 SAGFZLGVVRSSHP-SJLPKXTDSA-N 423.521 1.823 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)N2CCOCC2)C1 1540885452 JDPPUXAQPBUCKG-INIZCTEOSA-N 401.467 1.487 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCOC2=O)C1 1540893505 DZSNHJFVSQWSIT-SFHVURJKSA-N 412.494 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(F)(F)CC1 1540897183 CNFUENSXTKGINJ-UHFFFAOYSA-N 405.471 1.253 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1541044274 RRNNKIVOBZNGEF-UHFFFAOYSA-N 412.494 1.321 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1541111700 ALENPBCJEVZQEN-CYBMUJFWSA-N 421.461 1.749 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1544488732 LSGDZYZHXBBLNX-VXGBXAGGSA-N 405.296 1.869 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1557095565 QFWZLBQZSQGNPH-LJQANCHMSA-N 408.458 1.860 30 10 HDEE CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(C)C1 1557467345 IKNXMCBEEXKDBI-MRXNPFEDSA-N 406.552 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1557496180 CVSGRKFNBFRIPA-HEWTWTGNSA-N 418.494 1.951 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1557985334 HQVHGAAZZJYGPH-LMMKCTJWSA-N 400.523 1.792 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc2nsnc12 1558331420 AWZCMPVDUMGUTG-UHFFFAOYSA-N 415.500 1.826 30 10 HDEE COc1cc(N2C[C@H](C(=O)NCc3ccnc(C#N)c3)CC2=O)cc(OC)c1OC 1568546886 SIZLTBNDRNXIDX-CQSZACIVSA-N 410.430 1.648 30 10 HDEE C=C(CC)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1570327768 YDFVYLMMGPTKMC-UHFFFAOYSA-N 411.499 1.521 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C)C[C@@H](C(=O)OC)C3)n[nH]2)c1C 1570404587 BNCTTYYNYZHAEW-OAHLLOKOSA-N 400.483 1.253 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)cc1 1570609660 MTJLOITTZMZODT-UHFFFAOYSA-N 404.448 1.529 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3cccc(F)c3Br)C[C@H]1CS(=O)(=O)C2 1585139424 WLJFTKVBDRYACU-LRDDRELGSA-N 415.284 1.918 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC 1587603390 LBYXTLYMRHLZLD-QVKFZJNVSA-N 400.479 1.962 30 10 HDEE C[C@@H](CC(=O)Nc1cccc2c1NC(=O)CO2)/N=C1/NS(=O)(=O)c2ccccc21 1588160014 KEKXIEWHJRPULU-NSHDSACASA-N 414.443 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1588162751 ZTLMWTYGENRDDR-LJQANCHMSA-N 416.485 1.716 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@H]1OC 1588258724 IAKJIINPTHJTFQ-HAGHYFMRSA-N 416.522 1.517 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588733074 LWJAZDKZCSPWSZ-ROUUACIJSA-N 423.521 1.353 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)C(C)(C)C)CC1 1588801169 XTISSOOWDKFGJO-UHFFFAOYSA-N 418.567 1.252 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@](C)(O)c2ccccc2)CC1 1588806429 QGDAFBOGDLHWPK-QHCPKHFHSA-N 417.517 1.788 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C)c2)CC1 1588812120 PEGLEAVUKZPFNC-IBGZPJMESA-N 413.547 1.292 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1593621571 UYZTTWAVGFHGMT-OAHLLOKOSA-N 402.466 1.688 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1594680997 XNYORNJRFWIGFY-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1595544532 JPQHHEAINQCLBJ-DLBZAZTESA-N 418.542 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1CC 1595760227 LKBKUEWWMAXCMA-OAHLLOKOSA-N 418.523 1.905 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2=O)cc1 1595803464 SJYAWUKFPOWHJO-OAHLLOKOSA-N 408.849 1.966 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](OCc3ccncc3)C2)c1 1611576617 WMHILHTUGBZXCU-HNNXBMFYSA-N 403.435 1.949 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 1612174041 AHHIMSWONWADTO-UHFFFAOYSA-N 410.434 1.818 30 10 HDEE COCCCN(C)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619836347 WIKJDPDSOCNEFX-LJQANCHMSA-N 424.553 1.485 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)cn1 1619923790 AYGKZYJTWZLLNM-UHFFFAOYSA-N 420.477 1.034 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C)N1CCCCC1 1620026418 YWZJEOZZOCWGCQ-QRVBRYPASA-N 420.558 1.995 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(OCCOC)c(Br)c1 1622227007 KDBNEJNGIWOKSC-GFCCVEGCSA-N 404.282 1.497 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC[C@H](Nc4ncccn4)CC3)CC2)c1C#N 1625299113 DCQOTNICNKGXQL-QAQDUYKDSA-N 408.510 1.710 30 10 HDEE Cc1cc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)nn1-c1cccc(C#N)c1 1626908633 LDHBJZXRBNYWRE-UHFFFAOYSA-N 407.434 1.069 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ncc(Br)cn3)CC2)o1 1627324353 ZVKGHWBZSFKSMP-UHFFFAOYSA-N 405.256 1.940 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc(C)c1C#N 1629870331 JKQFXDULPRFHFX-IRXDYDNUSA-N 420.535 1.287 30 10 HDEE CS(=O)(=O)NCc1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)o1 1630737626 UIWULHJTRKJMDT-UHFFFAOYSA-N 402.476 1.917 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(OC)(OC)[C@H](O)C3)ccc2c1=O 1630772269 WEJXHWMSKMQQPT-OAHLLOKOSA-N 405.476 1.067 30 10 HDEE C#CCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1631503269 CLHXEIYKJGISBB-MRXNPFEDSA-N 402.499 1.241 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCOCC1 1633418142 MFJHHBPGSDYMHW-MJGOQNOKSA-N 406.504 1.302 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H](S(C)(=O)=O)C2)s1 1634301737 CFPALKYSTOKREY-AWEZNQCLSA-N 420.578 1.181 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)c(=O)nc1O 1634830160 FPNMHGUBCGYVAJ-UONOGXRCSA-N 418.251 1.438 30 10 HDEE COCCCn1cc(C)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 1635878979 LUYGQRDBNOFORX-AWEZNQCLSA-N 405.480 1.405 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1637678479 LMKNLCZFDMBIDU-LLVKDONJSA-N 418.313 1.868 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 1638175239 WIENMHNWPCWXFP-AWEZNQCLSA-N 418.498 1.636 30 10 HDEE N#C[C@@]12CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1640449522 LLLUFEFLJSJRKV-KXBFYZLASA-N 414.443 1.943 30 10 HDEE CC(C)c1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1cccc(F)c1 1640636475 HVWPIOZPTQNPBG-UHFFFAOYSA-N 423.408 1.361 30 10 HDEE Cc1nn(C)c(C)c1C(=O)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1640947919 YYSFHNOGWLYMEE-UHFFFAOYSA-N 417.473 1.830 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)no2)c1 1641858170 RZHNJCSKXSVMLE-UHFFFAOYSA-N 409.402 1.746 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1 1643703404 RTIVRAZLHNPADD-UHFFFAOYSA-N 416.503 1.578 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](C(F)(F)F)CC2)s1 1643982455 SOXLUOAVGHXGAT-LBPRGKRZSA-N 412.455 1.935 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)cc1 1644264748 HZZBOLLFHJSCSO-UKRRQHHQSA-N 404.410 1.828 30 10 HDEE COC(=O)C1([C@]2(O)CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CCC1 1644653876 QGTYUBDEGHALAJ-QRWLVFNGSA-N 403.504 1.895 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(OC)c1 1645706312 AOEFGEBMERZXMA-UHFFFAOYSA-N 424.505 1.796 30 10 HDEE C#CC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1646157116 CWURHVXJCQTONB-GOSISDBHSA-N 407.829 1.233 30 10 HDEE COc1ccc(C(=O)NCC#C[C@H]2CCCCO2)nc1I 1648586482 MSXGRMBYIAGAOP-LLVKDONJSA-N 400.216 1.997 30 10 HDEE C[C@@]1(C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)COC(=O)N1 1652065934 IGLCGSVWLYWDGV-SFHVURJKSA-N 409.439 1.474 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)Cc2c(F)cccc2F)c(=O)n1C1CC1 1652152092 HHHIYCFGICASNJ-NSHDSACASA-N 402.401 1.551 30 10 HDEE COc1ccc(CCCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1653762879 HFSCPYNFVZWESC-UHFFFAOYSA-N 412.446 1.634 30 10 HDEE CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)N1CCO[C@H](C#N)C1 1656133346 GWZNKQFDCYWQPI-HUUCEWRRSA-N 402.314 1.829 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1663000108 ZDJGIHOWGLZWGF-UHFFFAOYSA-N 412.436 1.075 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)c(OC(C)C)c2)CC1 1668544014 GQUCGMUBOCGHJZ-UHFFFAOYSA-N 410.496 1.100 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)N=[S@](C)(=O)N(C)C 1668595306 KWWGSPHGUXFVPL-QMTYFTJSSA-N 417.553 1.468 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCCOc4cc(Cl)ccc43)C2)c(=O)nc1O 1670972759 MSXQCDLDCIGYHD-HNNXBMFYSA-N 415.837 1.954 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cn2)CC1 1674882099 FBGHGDFBBWIRMG-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE C#CC1(O)CCN(C(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 1678294928 XNPWERCCZFDYDH-UHFFFAOYSA-N 408.296 1.739 30 10 HDEE C#CCN(C)CCCNC(=O)NCCOc1ccc(I)cc1 1681754941 LPOGHLCYGLWPJK-UHFFFAOYSA-N 415.275 1.924 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CCCN3C3CCCCC3)C2)c(=O)nc1O 1686283971 XPVIBFRNMANOCI-MRXNPFEDSA-N 400.483 1.184 30 10 HDEE C=CCONC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1686485104 WRQDGQSVKZJOPH-GFCCVEGCSA-N 401.204 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1689827006 YFVDLUCCWIOJGH-ZOBUZTSGSA-N 408.572 1.363 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cnnn1 1689848225 QWHJAHVRJNFLMC-ZDUSSCGKSA-N 404.438 1.129 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1689865490 WAJMYAVULJNUSC-IXDOHACOSA-N 400.479 1.864 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1689873640 QNYIWHBQMBOMNO-UWJYYQICSA-N 403.527 1.994 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689987816 CRDDZXQYXKFPHC-JZXOWHBKSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCCS1(=O)=O 1690022402 DFADRUVRLXJUCF-QGZVFWFLSA-N 417.560 1.674 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCCS1(=O)=O 1690033216 SRIGKLPOOYMQER-QZTJIDSGSA-N 422.551 1.432 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCN(C)C)CC1 1690119548 JQSZKZLZJKZAKY-UHFFFAOYSA-N 416.957 1.932 30 10 HDEE C=CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690465111 RYQHUFOQJHSOQE-UHFFFAOYSA-N 415.546 1.558 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690725006 BGWHDMNJJWXOTA-INIZCTEOSA-N 423.583 1.572 30 10 HDEE C#CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1691442150 XMWOFBGKCSEQAJ-XTXPQADFSA-N 407.514 1.134 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1692669301 RUFIJBAPHYTZLZ-RCCFBDPRSA-N 417.558 1.811 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1694057242 IFBXMYPITJUMHI-YOEHRIQHSA-N 400.524 1.905 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCOCC2)CC1 1696588121 DIKFPAABLQCPEG-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE COc1ccncc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1697633379 GPGZEVSXCFKJQW-QGZVFWFLSA-N 408.466 1.320 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)C1 1698487016 YDKBBOQTCQPTAP-IBGZPJMESA-N 418.498 1.654 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCNc2ccccn2)CCO1 1698493551 UFHCVQLEHVYLJX-MRXNPFEDSA-N 410.482 1.026 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1705474596 CWJVWIAVFQGRDW-SFHVURJKSA-N 424.549 1.755 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705515463 FIIJJICSUDUZFM-OALUTQOASA-N 413.570 1.249 30 10 HDEE C#CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705522285 ZOSVMVJPXRYTHQ-FXAWDEMLSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1705551294 KWWMMKXSYVIZQP-IAGOWNOFSA-N 401.536 1.775 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1705581161 YDACBAJNCOMDBP-INIZCTEOSA-N 413.551 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1cccn1 1705621212 VWOAKVPDURXBNX-UHFFFAOYSA-N 421.505 1.736 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1705632376 NYBRFODTVDPKCM-SPEDKVCISA-N 414.554 1.113 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCc2nnc(C)s2)CC1 1705649583 CCRIPXKMADIOPQ-UHFFFAOYSA-N 401.540 1.599 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)CC1 1705782447 XDBCFUVHNFNMBB-MRXNPFEDSA-N 409.556 1.355 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705789581 POEXZOYQZHUVJZ-UHFFFAOYSA-N 421.571 1.799 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCS1 1708182337 HVQUPOHMXNFBDY-CQSZACIVSA-N 422.518 1.912 30 10 HDEE CCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)C1 1710235052 OMXVSEAEHJOACW-XDNAFOTISA-N 404.515 1.073 30 10 HDEE CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1710879207 AILQXFJTHZYBHY-IBGZPJMESA-N 419.555 1.705 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1711975566 GKBDPIBMGGNZJR-NHCUHLMSSA-N 412.469 1.798 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1712229571 GUXLSUJNNBBQNB-UHFFFAOYSA-N 412.475 1.568 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1722299715 RWJOJYBHRCUMOZ-HOTGVXAUSA-N 416.551 1.448 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1722367034 KKJKCNYJGZVLGC-ZWKOTPCHSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(C)(=O)=O 1722392358 DMVLUORWGUMUJL-UHFFFAOYSA-N 423.901 1.750 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)cc2)CC1 1722446488 XXYOLDWBCOBNNO-UHFFFAOYSA-N 419.464 1.888 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1722627246 UACBLBDNXXURHW-UHFFFAOYSA-N 422.555 1.348 30 10 HDEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)s1 1726250562 ZAUHKYWZFDMTCW-UHFFFAOYSA-N 422.518 1.888 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)c1 1730232328 FXLUSSXCTRDFCW-QRQLOZEOSA-N 413.478 1.734 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740623275 QTPREABALUAQQV-CVEARBPZSA-N 414.491 1.055 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1740643756 NHGBEJWHFHWDAI-UHFFFAOYSA-N 421.501 1.406 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(C(C)C)C(C)C)CC1 1740695573 XLYYSLZAXVAEKK-UHFFFAOYSA-N 410.570 1.999 30 10 HDEE C=CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1740949566 KZNGXCAHRBIPCT-UTKZUKDTSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1740959397 UCAATRLDZIZQED-CQSZACIVSA-N 401.471 1.542 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740961283 SBDWAYWJJKFZJT-JOCHJYFZSA-N 408.506 1.338 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1740981218 VHFPOPBHYUSMRW-ZBFHGGJFSA-N 416.457 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCc2cc(OC)c(OC)cc2CC1 1740986726 FVBDZFKWDQNUHG-UHFFFAOYSA-N 420.535 1.810 30 10 HDEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)c1=O 1746366146 WCRKKYLNJALGKY-MRXNPFEDSA-N 414.510 1.972 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1746466983 YKMQMJYGECEWHG-RTBURBONSA-N 417.558 1.276 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1748710238 KNFQHENMYKXCBN-KRWDZBQOSA-N 416.526 1.012 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748713675 DCQQCNBACUVETO-BTYIYWSLSA-N 414.510 1.400 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1748717483 AWHCXUXFDVVRRY-CVEARBPZSA-N 417.539 1.454 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1748724374 BOJCFGYEHISKEP-UHFFFAOYSA-N 408.510 1.321 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(=O)NCC)CCC2)CC1 1748983690 YTDNTKRIFVUGOI-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1748999033 GDNCFZWLWWQJEU-SFHVURJKSA-N 412.469 1.468 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749268664 FDHGZIOXVRSGGM-CVEARBPZSA-N 422.961 1.714 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1 1749358683 OQJHZGXNUBJQBZ-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749677019 KYGUWCCAGJVMOG-LJQANCHMSA-N 416.507 1.264 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1749740765 JOPRHJVRYKNAIS-INIZCTEOSA-N 420.583 1.927 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccccn2)nnc1N1CCC(C#N)CC1 1750207601 QQYBAEVFBPRFPU-UHFFFAOYSA-N 404.496 1.141 30 10 HDEE CC(C)NC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1750983937 BRSAZHDKOVAWMO-NRFANRHFSA-N 418.542 1.973 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1751003617 HDJVDZGPKTVYDX-HNNXBMFYSA-N 418.523 1.370 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760173189 MOHUNOMITRAEDX-OAHLLOKOSA-N 403.508 1.305 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)CC)C1 1760546592 RHWCHFLHUPNPDA-MRXNPFEDSA-N 404.540 1.893 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1760555336 CQHOEOXAFFNPRK-UHFFFAOYSA-N 416.569 1.160 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(N)=O)nc2)C1 1761544342 BDIYDNUQOIJEKF-QFIPXVFZSA-N 416.489 1.936 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1762051024 JTIMXDLQDFLRGF-BBRMVZONSA-N 417.539 1.667 30 10 HDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC)c2ccccc2c1=O 1765586811 ZCJQJYKMGCDWNT-OAHLLOKOSA-N 423.477 1.440 30 10 HDEE Cn1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)n1 1769083868 HNGNGAPFNRTARN-MRXNPFEDSA-N 407.482 1.640 30 10 HDEE COCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1771081960 ZCWWRMHGYBUMNU-KRWDZBQOSA-N 415.454 1.160 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)cn1 1850460089 XDLHLDGURKKMGB-INIZCTEOSA-N 404.392 1.955 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3(C#N)CCOCC3)C2)cc1 1850741030 RZKAQLLRLQSHCL-INIZCTEOSA-N 421.519 1.532 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CCC#N)CC1 1850851595 WHXZLYZOBXQEHF-KRWDZBQOSA-N 412.943 1.701 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1C#N 1851705794 YRIDYQZKXDUNBP-INIZCTEOSA-N 403.446 1.837 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)cc1 1852191251 BLYJFEICZANKAF-MRXNPFEDSA-N 401.444 1.653 30 10 HDEE C[C@@H]1CC(=NC(=O)c2ccc(N3CCOCC3)nn2)NN1c1ccc(Cl)cn1 1852793024 VHBHDQGPBRQVDW-GFCCVEGCSA-N 401.858 1.704 30 10 HDEE Cn1nc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c2c1CCC2 1853316114 FZVVIPCICTUPQF-GOSISDBHSA-N 410.474 1.717 30 10 HDEE Cc1ccc(N2CCN([C@H]3CCCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)nn1 1854334919 PUJOZYKEPQZCPY-IBGZPJMESA-N 404.474 1.610 30 10 HDEE CC1(C)CC[C@@H](N2CC[C@@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)C1=O 1854982348 XROUGFFOBCZZSG-QZTJIDSGSA-N 409.490 1.070 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855033116 KTPKVDZIPULEFH-CQSZACIVSA-N 401.492 1.346 30 10 HDEE C[C@H](C(=O)N1CCCC[C@H](N2CCC(C#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1855598197 ROZYRXBFCWBRMM-BEFAXECRSA-N 411.506 1.825 30 10 HDEE COc1ccc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)c(OC)c1OC 1855860177 JWUBPOITJRXWHT-OAHLLOKOSA-N 401.463 1.937 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3csc(C4CCCC4)n3)C2)CC1=O 1856393565 LQIWEZWXTMUKOB-KRWDZBQOSA-N 401.536 1.959 30 10 HDEE CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CSC(=NC(C)C)NC(C)C)[C@@H]2SC1 1857788219 LFOOEBUPKHNPCP-WFASDCNBSA-N 414.553 1.241 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)C(F)(F)F)cc1 1858984669 GADJKPVIUHOPON-UHFFFAOYSA-N 419.425 1.980 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O 1861525186 LHOSAAVBCSEGBP-LJQANCHMSA-N 421.453 1.408 30 10 HDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862689895 BWIMLSXJUNOROW-QGZVFWFLSA-N 414.370 1.880 30 10 HDEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870516744 RNAAEBPSLHOYKP-UHFFFAOYSA-N 404.511 1.027 30 10 HDEE C=CCn1cc(OCCCOc2ccccc2)c(=O)cc1CN(CCO)CCO 1870633658 DYDXFSYXWAHGSX-UHFFFAOYSA-N 402.491 1.669 30 10 HDEE C#CCOc1cn(CCOC)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871004959 IDJCUNVDJGFSLV-UHFFFAOYSA-N 410.518 1.871 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871729036 MTRZRQAAMAQXKN-UHFFFAOYSA-N 403.490 1.879 30 10 HDEE C=CCn1c(C(=O)NCc2ccco2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873592980 ADBHNLVFOKUHNL-UHFFFAOYSA-N 408.462 1.842 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)NCC#CBr)C1 1910316578 GZQNAUDFNKTMSO-GHMZBOCLSA-N 404.261 1.494 30 10 HDEE CC(C)(C)OC(=O)NC1CCN([C@H]2CCN(C(=O)C#CBr)C2)CC1 2006219861 CUHLVIRNQBXYHN-AWEZNQCLSA-N 400.317 1.932 30 10 HDEE Cc1cc(C#N)c[nH]c1=NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2112285524 MXWUTKCSJIQYCT-UHFFFAOYSA-N 412.471 1.748 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1C[C@@H](C(=O)O)C1 2162682642 LQLKXJSRBNONRI-OTVXOJSOSA-N 400.497 1.514 30 10 HDEE COC(C)(C)CS(=O)(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186627759 NICMDKVAQYDYIG-LLVKDONJSA-N 404.363 1.848 30 10 HDEE CC(C)N(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243411308 RFOFUPUTKDFNEF-UHFFFAOYSA-N 420.344 1.714 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243674003 DGLMYNQEMNBUPZ-STQMWFEESA-N 423.344 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247811920 MCIZORJMEYMBCB-HOTGVXAUSA-N 420.315 1.858 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2247857442 UTNIZYGVLYRPAD-UKRRQHHQSA-N 419.331 1.967 30 10 HDEE Cc1c(C(=O)NCCN(C)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247915031 VDTLJLWXHBWZQG-UHFFFAOYSA-N 412.343 1.890 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247931173 XCZQVMOGYIRCRT-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE Cn1cc(Br)c(S(=O)(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)n1 2251298401 LEMYOTKSZXLRCB-VOTSOKGWSA-N 406.111 1.649 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1csnn1 2267364388 YIHVJSZBUXFUCY-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(C(=O)NCCCS(N)(=O)=O)c2)OC1(C)C 2281827108 QZWRXIRIOSSZLC-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)C[C@@]3(C)CO)c2Cl)OC1(C)C 2282056647 VOWNOZGJRHSCBM-QGHHPUGFSA-N 401.721 1.659 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310879 ZRYZHQFBOKVILC-STQMWFEESA-N 400.375 1.904 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H]1CCC[C@H]1O 2282313028 FGFSNZGYYLUTQM-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE CC[C@H](O)CN(C1CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335126 LEGCWWIIRYUKQX-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@](C)(O)CC3)c2)OC1(C)C 2282340775 JRJFFEOBNZJYBP-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC(C)(C)[C@H](CO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282343794 RNWNZPHVDAUKNX-LBPRGKRZSA-N 403.375 1.980 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344879 DZJFIZFHPNWOAF-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCONC2)OC1(C)C 2282491123 JVBNZNLPNHXDJF-NSHDSACASA-N 402.709 1.211 30 10 HDEE CC(C)C1(O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282505105 YTNBYICUAPXQGG-UHFFFAOYSA-N 401.359 1.580 30 10 HDEE COC(=O)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830036 OINFHGKBRAUENY-SECBINFHSA-N 423.749 1.931 30 10 HDEE CN1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282838490 PGSNBMXFWPKRRY-UHFFFAOYSA-N 400.737 1.479 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2282854875 WZPQHFWIEYWOKY-KWQFWETISA-N 415.264 1.637 30 10 HDEE CCOc1n[nH]c(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n1 2282863045 MFXHKCOZXOMVFZ-UHFFFAOYSA-N 400.291 1.365 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284395854 QDYCDBFBGOXOHL-NSHDSACASA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CC(=O)O)C3CC3)c2)OC1(C)C 2284404111 WLEKVHWXQARQNO-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284404603 AVIVUNJALUXNQD-SNVBAGLBSA-N 403.693 1.781 30 10 HDEE Cc1cc(S(=O)(=O)NCC(F)(F)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284407217 ITKRPMXAPUXDJH-UHFFFAOYSA-N 411.257 1.354 30 10 HDEE CC1(C)OB(c2ccc(CO[C@H]3CCCN(S(C)(=O)=O)C3)s2)OC1(C)C 2285601271 WBEAOWKVIOOIPO-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288909926 JZYVAGMUWVJGCU-STQMWFEESA-N 401.359 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](NCC#CBr)(C(=O)O)C[C@H]21 2306582036 LBCBKSHTXLIXRD-HSMVNMDESA-N 403.273 1.554 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C[C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200936 CQJQFSANQGXXCA-IFXJQAMLSA-N 401.525 1.923 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2 2365211021 KGZGZCYCFWYHFX-NIKGAXFTSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2367792888 SDYNZMJRYHNGDG-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367793119 UEIFXBJLWFNDGR-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367793553 WKNJGBNKCHKJTG-HOTGVXAUSA-N 400.541 1.558 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367810927 CIYHATQZCYUFBW-YZVOILCLSA-N 400.541 1.340 30 10 HDEE CC1(C)C[C@H]([C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)N(C(=O)OC(C)(C)C)C1 2367812225 QQQCYJXCHCXGPE-RRFJBIMHSA-N 400.541 1.291 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)C[C@H](C)S(=O)(=O)[C@@H](C)C1 2380751035 ZLQFRMGDYFFPIB-KBPBESRZSA-N 404.529 1.856 30 10 HDEE CS[C@H]1CC[C@H]1N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2381815461 BGXFDAZNXLIWSP-OLZOCXBDSA-N 401.363 1.234 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)n1 20292371 NTXVCDRXAQFLHP-YAXRCOADSA-N 420.480 1.345 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NC[C@@H]3CCCO3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472654 HKUVCDLCUCLOCY-XEZPLFJOSA-N 423.429 1.356 30 10 HDEE COc1cc(Br)cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)c1OC 169897744 KUJXYMQHTUQLGE-LSCVHKIXSA-N 411.256 1.839 30 10 HDEE CC(=O)N[C@H](CO)C(=NNC(=S)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 254452565 SPFNKTXDCNWMQO-MRXNPFEDSA-N 401.448 1.783 30 10 HDEE Cn1c(N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C#N)c(=O)n(C)c1=O 301124639 NTGOPJYFEHFBNH-CYBMUJFWSA-N 410.409 1.529 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 409585589 OBKWJQWLJIBHQC-UHFFFAOYSA-N 414.915 1.343 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)n1cnc(C#N)n1 409751555 PXDYXYZBZDFLCO-FZMZJTMJSA-N 404.377 1.624 30 10 HDEE COc1cc2c(cc1S(=O)(=O)NCCOc1ccc(C#N)cc1)OCC(=O)N2 429814969 OJTIKVUFHMWHPE-UHFFFAOYSA-N 403.416 1.255 30 10 HDEE CSc1nn(-c2ccccc2)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1C#N 445574005 YGBIXWPVXZKSAG-UHFFFAOYSA-N 420.458 1.548 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2)[nH]1 461187387 AIDIJIGFRXHXHL-UHFFFAOYSA-N 420.425 1.562 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc4c3OCCC4)CC2)c1C#N 472861932 QBRZTHOWWJDDOD-UHFFFAOYSA-N 408.462 1.213 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 483481555 YDXYRXGXDABHOD-HOCLYGCPSA-N 414.491 1.953 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483597488 ZJVQXFYUIANHMX-KBMXLJTQSA-N 423.491 1.947 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1C#N 489187717 KYDHMOWTLCXVNN-UHFFFAOYSA-N 406.414 1.687 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ncccc2C#N)CC1 506930130 LLAQMWAKXVRFFU-IBGZPJMESA-N 404.518 1.813 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@@H]21 506946427 SSPCINSIDSXWDO-GJZGRUSLSA-N 420.491 1.668 30 10 HDEE C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2)n1cnc(C#N)n1 507268734 DWMSKHRGTCLHDY-HKUYNNGSSA-N 408.506 1.756 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 508863366 JQBWZPLMVANHOX-GJZGRUSLSA-N 405.524 1.995 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C)c2=O)c1 515451684 NBUPVKRVVBFJQN-UHFFFAOYSA-N 419.506 1.855 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(c2ncccc2C#N)CC1 517661616 AALNAZKRNKIXFF-UHFFFAOYSA-N 405.505 1.227 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)cc2)c1N 608926314 UJDSYWSWJMMFBZ-HNNXBMFYSA-N 406.421 1.539 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609990492 OKBHRKLWQJZPKY-MRXNPFEDSA-N 406.395 1.735 30 10 HDEE CCOc1cccc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 610760319 AQRWDADRSBWJEX-UHFFFAOYSA-N 402.476 1.645 30 10 HDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 619843205 KYXFUHYBYBYWAF-CYBMUJFWSA-N 400.826 1.073 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C(=O)N(CC)CC)ccc1F 731884701 WKOIZYZDYAMMGA-MRXNPFEDSA-N 411.499 1.763 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCOc1cccc(C(F)(F)F)c1 732447849 FFQWNUXMJSUQRQ-NXVVXOECSA-N 412.368 1.910 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@H]2CCOC2)C1=O 751655169 BIRBMNKAVKZRFZ-XJKSGUPXSA-N 408.499 1.614 30 10 HDEE C#CCN(CC#C)C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 752151753 FDTRAONBOVGJMU-KRWDZBQOSA-N 415.515 1.165 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccnc(C#N)c1 754728147 QRTRMPINHNFQEP-UHFFFAOYSA-N 401.444 1.640 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760408138 YTRBUKGDOITOAS-AWEZNQCLSA-N 417.487 1.900 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 763787207 QMTHNCXWTJGBJU-FUHWJXTLSA-N 420.487 1.709 30 10 HDEE CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)c1 763803385 SMDXZUQJPHQJGD-OAHLLOKOSA-N 416.453 1.918 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@@H]1CCCO1 767953601 UCEKCSHJMRDBKX-INIZCTEOSA-N 415.515 1.328 30 10 HDEE Cn1cnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 768420523 GVJSXIWCOLMPFC-AWEZNQCLSA-N 402.455 1.755 30 10 HDEE C[C@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 774206005 ICKMZFQITYYKJQ-YOEHRIQHSA-N 413.499 1.901 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)cc1C#N 785597955 HOUVGUGEGNNGTR-IBGZPJMESA-N 421.432 1.961 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2=O)n1 789240551 CUBLOWUAIMIVQH-OAQYLSRUSA-N 423.517 1.784 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CCN(c3sccc3C(=O)OC)C2=O)n1 789324575 PERODMKRLFHEBN-KRWDZBQOSA-N 416.503 1.618 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3C)n2CCOC)CC1 802511172 ZNSIGAYQUVZGTK-UHFFFAOYSA-N 412.538 1.248 30 10 HDEE Cn1nncc1-c1csc(=Nc2ccccc2C#N)n1CCCNS(C)(=O)=O 803181309 BJCDAYMPSNCMOJ-UHFFFAOYSA-N 417.520 1.388 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2=O)n(C)n1 805588150 PODNKHRBIDMNOK-YJBOKZPZSA-N 411.437 1.914 30 10 HDEE C#CC[C@]1(C(=O)OC[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 808596638 NJTMZBJOHVHLKW-DNVCBOLYSA-N 414.524 1.604 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)[C@@H]1CCS(=O)(=O)C1 812650284 TZBPOZJVNGSJOK-SCRDCRAPSA-N 416.546 1.187 30 10 HDEE Cc1ccc(-c2nnc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)o2)cc1 914898171 PBOKHZGCIXIZAQ-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE C[C@@]12CC[C@H]3[C@H](CC[C@@]4(O)C[C@H](O)CC[C@@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 1076430828 ODJLBQGVINUMMR-HUMGGIHDSA-N 404.503 1.898 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1124534443 MLFABIAMJSXIEY-MSOLQXFVSA-N 419.474 1.996 30 10 HDEE N#Cc1ccc(OC(=O)Cn2nc3n(c2=O)CCCC3)c(I)c1 1128552586 GUHLUPQNQKLLSI-UHFFFAOYSA-N 424.198 1.463 30 10 HDEE N#CCNC(=O)CNC(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1128801710 NUWQWCOBTNYKDY-UKTHLTGXSA-N 406.464 1.173 30 10 HDEE N#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(F)(F)F 1134050305 FXJTZBVEWBOTFH-PNPSXAPQSA-N 408.380 1.750 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCSc1ccccn1 1140384097 KGKOXOHDVHURLW-CQSZACIVSA-N 404.517 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1 1146918913 DJNVTTXKKKRBOR-UHFFFAOYSA-N 421.563 1.772 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(=O)N(CC4CC4)C3)C2)C1 1155960219 XCFWSVQQVGOGTR-TZQQIIETSA-N 402.495 1.812 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2Cl)CC1 1157008668 ASTPGGWNAWQBMF-UHFFFAOYSA-N 412.715 1.539 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](OC(=O)N(C)C)C2)s1 1158950742 OAIOUAQSLFQMPR-GFCCVEGCSA-N 401.510 1.054 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccccc2)c2cccs2)c(=O)n1CCO 1166714811 ZNCHOADZOUWMSD-IBGZPJMESA-N 424.482 1.150 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[C@@](C)(C(=O)OC)C2)s1 1171385246 MEQHNGCKCLYDEL-SJCJKPOMSA-N 400.522 1.413 30 10 HDEE C#CCC1(NCC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CCOCC1 1176262742 NQRMYBKHLVRPSS-UHFFFAOYSA-N 407.492 1.433 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C1CCOCC1 1192786893 GHMYXKPYQSVMOB-CYBMUJFWSA-N 416.293 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1286297454 WQEYUPMRYUWIMI-YESZJQIVSA-N 420.558 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1286305717 UIBYMECHJKCCIO-INIZCTEOSA-N 420.521 1.975 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1286351332 PPQNOQOXFADDAR-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1286354380 MEQSWDSUUCXGBG-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286363938 VLADJYBZFDXYQA-GHTZIAJQSA-N 405.543 1.356 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCOC 1286441160 RVVZOWOEFCVOAG-FQEVSTJZSA-N 410.482 1.168 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)C(=O)NCC)CC1 1286483211 BZIHFSXCQNOPHU-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286499571 MNEVGAPKTNLREJ-LJQANCHMSA-N 424.530 1.524 30 10 HDEE C=C(C)COCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1286613741 FEBTVHZMHWWEQA-SFTDATJTSA-N 419.526 1.239 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1286666974 HYNDRYSVKMSXJR-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286677040 WEIDJNIIHBKVMS-OAHLLOKOSA-N 416.530 1.949 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286831062 SPTITYVZPSEMQJ-QLFBSQMISA-N 404.540 1.111 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C#N)C1CCCC1)n2C 1288295077 ZHSREGQRDWIHNP-KRWDZBQOSA-N 417.535 1.955 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1292703933 NSZKRUZZYDITHU-HRAATJIYSA-N 424.517 1.654 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1292783145 OPLRKKYCRXOJHS-CZUORRHYSA-N 401.471 1.211 30 10 HDEE CCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1293833184 BPTQGSDELLPYSQ-KUHUBIRLSA-N 418.523 1.549 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@H](C)C#N)CC1 1296130939 GQHNJVGTYHPTAR-MOPGFXCFSA-N 410.570 1.886 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)c1 1300079518 DYPCLNCOBPMIMA-SFHVURJKSA-N 410.455 1.695 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1300302907 FFNCCTKRAVFQAV-HNNXBMFYSA-N 416.489 1.915 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1300336559 JPAYFEAMQGZCLT-UHFFFAOYSA-N 424.505 1.873 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(CC)CC 1300455677 OIIHYRQAPNZLAR-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)C(C)(C)C)CC1 1300725872 LDPOEZBYZKZQPJ-UHFFFAOYSA-N 416.570 1.605 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(N)=O)c1 1300800068 LXYLZPBVADSTES-JOCHJYFZSA-N 419.489 1.583 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1300991653 PFMILXMQOGUHBJ-AWEZNQCLSA-N 418.498 1.417 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1301393771 FPYAIXISOWXGLL-UHFFFAOYSA-N 417.535 1.382 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301499131 YKCSFXIVHIAPOZ-ULQDDVLXSA-N 416.526 1.174 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C1 1301536742 ZMQJLWXOVBYENB-IRXDYDNUSA-N 405.499 1.101 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1303792998 TWKATHZPJXMIAT-UHFFFAOYSA-N 407.511 1.440 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCCCC1 1303818554 CQYKEHUNUZGHQI-HNNXBMFYSA-N 424.571 1.714 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCS(=O)(=O)C[C@@H]3C)ccc2c1=O 1303946474 XXNNXWGONLAIKM-LBPRGKRZSA-N 407.517 1.520 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C#N)CCOCC1 1305274010 CTIVDFPYPZRKBC-MRXNPFEDSA-N 418.519 1.720 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)C(F)(F)F)ccc2c1=O 1306876172 NCPCKXKZGWFHJS-UHFFFAOYSA-N 421.422 1.536 30 10 HDEE N#Cc1cn(CCCON2C(=O)c3ccccc3C2=O)nc1I 1307361673 NNSSVIPLAOJOBD-UHFFFAOYSA-N 422.182 1.977 30 10 HDEE COC(OC)C(=O)N1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1307917299 HBGMGVDLRHHLBP-UHFFFAOYSA-N 406.508 1.200 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)cc1 1309514400 JRBIPQAPWFRWKK-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3cc(C(F)(F)F)ccn3)C2)c(=O)nc1O 1312784658 IBUDGXXTVREMEY-UHFFFAOYSA-N 408.340 1.043 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1315694560 GMZNPDKXIIRRAR-SFHVURJKSA-N 424.505 1.714 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnc1C 1316296711 CEEHVEDTHNFKSM-BZSNNMDCSA-N 415.498 1.326 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCN2CC=CCC2)CCO1 1316541465 ZGPCRNOKXCCSDX-QGZVFWFLSA-N 412.469 1.987 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 1320768623 SBWOIEWXYOCBAI-GUYCJALGSA-N 410.352 1.289 30 10 HDEE COc1cc(OC)nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 1357543547 LMUZKKCPRRGKKR-HMAPJEAMSA-N 419.463 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H](C)N1CCN(CC)CC1 1358991282 UJMYYCSTYNFVCV-FQEVSTJZSA-N 405.550 1.829 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1359069733 WMPIOXNWNIZUFN-LJQANCHMSA-N 419.507 1.433 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1359089484 JYSOTBWTCZDLHB-QAPCUYQASA-N 418.542 1.504 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1359216472 XBKAZSXWLYJZHJ-INIZCTEOSA-N 409.556 1.958 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1359266819 MRXGTVCMOWCIBH-OAHLLOKOSA-N 424.571 1.325 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)CC1 1359293461 QOEWGKIGSSYTDJ-CQSZACIVSA-N 416.457 1.186 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(C(N)=O)CCOCC2)C1 1359319121 SWGBGUCVAZEIHK-QGZVFWFLSA-N 412.494 1.404 30 10 HDEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1359473708 GQSZHONYNPRNEO-DLBZAZTESA-N 408.572 1.508 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c1C 1361016716 SEGLDWCRPOWXBT-UHFFFAOYSA-N 424.486 1.818 30 10 HDEE Cc1cc(F)ccc1N(CC#N)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1438214737 ADYCJHGSSMZPEM-AWEZNQCLSA-N 406.439 1.156 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CS(=O)(=O)C3CC3)c(C#N)c2N)cc1 1445160917 ULCHIHXCLIAGPB-UHFFFAOYSA-N 401.492 1.261 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1452491002 UFCPTNJJXPYQMO-SFHVURJKSA-N 414.506 1.967 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)(F)F)c(C)c2)CC1 1455114698 HWXROKNGNHHCNK-UHFFFAOYSA-N 405.398 1.119 30 10 HDEE C=CCNc1ncc(C(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)s1 1455257677 LFPZYEAXGBMVBC-UHFFFAOYSA-N 421.548 1.612 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NC[C@H]3CCCN(CC#N)C3)=NO2)C1 1457669740 JVNUKDFPFRFSKZ-QRWLVFNGSA-N 405.499 1.494 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3cccc(O)c3)CC2)c1 1459709723 YILAHWNGNKNDLE-UHFFFAOYSA-N 406.442 1.480 30 10 HDEE C=C[C@](C)(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1461396394 GZPAWUWKBNOQJE-HXUWFJFHSA-N 409.552 1.866 30 10 HDEE COc1ccc(OC(F)(F)F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1463000943 WYVDVJYHCABYPM-BONVTDFDSA-N 404.366 1.604 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccnc2OCCO)cc1 1464264974 DDYKGNYETSEQES-OQKWZONESA-N 418.475 1.518 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccccc3C#N)CC2)CC(O)C1 1464690120 VQXCWXDMXGFZIQ-UHFFFAOYSA-N 414.506 1.873 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCc3nn[nH]n3)cc2)c1 1465206958 AKRCUGUCBIVGKM-UHFFFAOYSA-N 414.447 1.495 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(S(C)(=O)=O)ccc2F)c1 1467448518 SUJKATMQILRLMU-UHFFFAOYSA-N 424.475 1.071 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1469799351 ZPDYJFQABDQWIP-YADHBBJMSA-N 418.497 1.790 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1470201274 MLEXHFALRLCGKW-MSOLQXFVSA-N 407.492 1.249 30 10 HDEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1470903833 GHMAFROMNKIMIW-HOTGVXAUSA-N 402.561 1.270 30 10 HDEE N#Cc1c(CCCNC(=O)NCCO[C@H]2CCOC2)nn(-c2ccc(F)cc2)c1N 1471430374 VJMGHHZISJMUQS-INIZCTEOSA-N 416.457 1.503 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)cc(F)c3N)C[C@H]1CS(=O)(=O)C2 1472036127 RUWGTKNYDZBDBE-RTHLEPHNSA-N 402.245 1.181 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1 1473725225 CNVBDFPLJKQSMR-UHFFFAOYSA-N 411.550 1.786 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1475855602 VRNSJLROHOAEII-MRXNPFEDSA-N 421.519 1.983 30 10 HDEE C#Cc1ccc(CNC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1478668466 DJMZYMFVNQZDSN-UHFFFAOYSA-N 416.459 1.891 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CCO1 1494252326 HKPMMSVSFQWCAB-AWEZNQCLSA-N 401.492 1.619 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1494589983 GXIYCEXHQKEDSK-HRAATJIYSA-N 409.469 1.979 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)O 1503646495 VMMZLWKALFPFQY-GFCCVEGCSA-N 409.288 1.546 30 10 HDEE Cn1nnc(Cn2c(N3CCO[C@H](c4cccc(C#N)c4)C3)nnc2C(C)(C)C)n1 1503688566 AOMUWGNMDRUIFL-INIZCTEOSA-N 407.482 1.597 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1Cc1ccc(C#N)o1 1504970133 JNQNGSBZXKGAPI-XOBRGWDASA-N 414.466 1.374 30 10 HDEE CS(=O)(=O)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1505129873 DAKBOMVMRISXRX-MRXNPFEDSA-N 423.926 1.686 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1507521358 XXFCXHHKMALHKS-GFCCVEGCSA-N 403.288 1.796 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507593404 OFPDUQPXQYPYBA-UHFFFAOYSA-N 418.505 1.407 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCOCC1 1507637374 PCHJEDZNZUMXJX-UHFFFAOYSA-N 414.554 1.380 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1507655521 JQBVXICTGZFMBT-UHFFFAOYSA-N 421.436 1.280 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)OC 1507665622 ZLRBVDJHYQOVGY-UHFFFAOYSA-N 404.478 1.809 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2([S@@](C)=O)CCC2)CC1 1507719550 OPEBWRMYSWENOX-SFNQZPIRSA-N 423.583 1.059 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1508086593 NNILPBNSXQRGGA-UHFFFAOYSA-N 416.501 1.661 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508092358 BCLLOFBBOOVAFQ-OAHLLOKOSA-N 422.530 1.562 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1508423110 ZFFDBZFNQNTNSY-CYBMUJFWSA-N 401.471 1.470 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1CC1 1509683230 HQTNEPRIFBXPIQ-AWEZNQCLSA-N 409.498 1.203 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CC1 1513308611 GYYZFJRNVXEZRL-CYBMUJFWSA-N 410.544 1.370 30 10 HDEE CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1514828063 CCONVTSUIOXMSH-QGZVFWFLSA-N 420.525 1.927 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2cc(C)c(C#N)cn2)ccc1OC 1520128718 FJRAUBHOMDWHEQ-UHFFFAOYSA-N 404.448 1.447 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCCCN1C(=O)c2ccccc2C1=O 1523979755 JGIMOSYRDJXDEU-UHFFFAOYSA-N 422.445 1.523 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)CC3(C#N)CCOCC3)c2)CC1 1524724351 HBOABQPGIFIHPH-UHFFFAOYSA-N 420.535 1.662 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC(N)=O 1539058408 DINNNMRNUGUPOX-OAHLLOKOSA-N 407.482 1.424 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539220392 RPDUMEUGKNYFSW-MRXNPFEDSA-N 418.519 1.533 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC(C)C)N(C)C 1539232409 BNWSPEPIVBJNFT-SFHVURJKSA-N 407.522 1.975 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1occc1C 1539406273 XMZHZRZAVPGKBQ-UHFFFAOYSA-N 418.461 1.957 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(S(C)(=O)=O)cc1 1539423117 SJTWCYVAHDQYPT-GOSISDBHSA-N 418.519 1.667 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCNC(=O)OC(C)(C)C)CC1 1539469302 RFUFKIKGMXCHFT-UHFFFAOYSA-N 404.515 1.467 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539917844 GUPUIKIVJCTJFC-CABCVRRESA-N 409.556 1.845 30 10 HDEE C=CCN(c1nnc(Cc2ccccc2OC)n1CC(=O)N1CCOCC1)C1CC1 1540111010 AVYYJTQNRACLAZ-UHFFFAOYSA-N 411.506 1.891 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1540186442 CESNSOWFGLLMBT-INIZCTEOSA-N 400.483 1.536 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 1542973753 YMXRHBPQPKLCSW-KRWDZBQOSA-N 406.914 1.471 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1544339105 OALOWUIANPZKGN-OAHLLOKOSA-N 400.884 1.931 30 10 HDEE CCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NCCOC 1548372685 UPTDJOBLUBPIPD-INIZCTEOSA-N 412.412 1.767 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1555190675 BUAPXUOZGYBOQH-MOPGFXCFSA-N 424.505 1.570 30 10 HDEE COC[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555351851 CLMXIJBTAYQDIC-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806417 OKDXLGQCUYTAOQ-UHFFFAOYSA-N 410.821 1.572 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC 1559024383 DYOODYDERAZRFE-OLMNGRFOSA-N 424.494 1.798 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] 1559068392 ZZIZVSQFHOAUFL-HUUCEWRRSA-N 423.495 1.251 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)CC1 1559840174 CTPWRNDQTROZNK-UHFFFAOYSA-N 414.506 1.118 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 1559843533 HPAQQSGFEDSJDH-NDEPHWFRSA-N 402.476 1.884 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1559983473 SCBDLJJSVQSKRT-LJQANCHMSA-N 405.564 1.949 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)n1 1565286289 UHWFBFUPDIVXRL-IBGZPJMESA-N 404.511 1.650 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1587592747 FMGSVGIVIBVKPJ-HNNXBMFYSA-N 415.929 1.616 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1snnc1C 1587931772 DGUKSXXGGOBZMC-UHFFFAOYSA-N 402.505 1.626 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nccs1 1588084880 XTRZAYSZOGTKEB-KBPBESRZSA-N 406.537 1.221 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CSCCS1 1588170143 AOCLHMNQRCMXML-INIZCTEOSA-N 403.577 1.826 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CCS(=O)(=O)C1 1588170383 FJNNWUBJGHPHPN-RCCFBDPRSA-N 418.563 1.704 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1588446123 YXOABYUNBWRTMU-MRXNPFEDSA-N 416.551 1.450 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOC)CCCC2)CC1 1588733688 YRWSQZUEWQTDOH-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1588986020 XZXXMWJQJITRNK-SOUVJXGZSA-N 415.585 1.258 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1589484909 VYVADERKGTXEDE-FTRWYGJKSA-N 402.474 1.937 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595608290 QGDITWHXNHORHY-DWRORGKVSA-N 419.526 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cnn(C)c1 1595784504 HDXUXOWRRZXJPQ-UHFFFAOYSA-N 401.496 1.311 30 10 HDEE C#CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597138218 JXZKPWAZTQUIEY-JKSUJKDBSA-N 400.541 1.965 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1598184731 CCYAMBIAFMRCBX-IBGZPJMESA-N 415.471 1.575 30 10 HDEE Cn1nnnc1CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1606829742 UGYVMAQJWQXXOT-UHFFFAOYSA-N 404.272 1.029 30 10 HDEE CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607488379 HNBAAUPRYLXFCP-LJQANCHMSA-N 405.455 1.145 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607498085 QRXSHJGLYWSOFP-CYBMUJFWSA-N 423.857 1.240 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)CC1 1608571217 DWLJBFZNHOWJHB-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE CO[C@@H]1CCn2cc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)nc2C1 1611231659 SRBXUGXUKVVPBS-LLVKDONJSA-N 420.267 1.641 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1611308679 RVNBJHPFVTVBHY-WBVHZDCISA-N 407.482 1.934 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCCCO 1611634133 UKGMRUHEQOTEBK-OAHLLOKOSA-N 405.524 1.849 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc([C@H]3CCCCO3)n2N)c1 1613571169 RRVNECPMVLOOCS-CQSZACIVSA-N 400.464 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1616348345 XPCOMGHHORDUAZ-ORHCWOKNSA-N 418.494 1.832 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1620459017 DGUBVWHFQCDGOI-UHFFFAOYSA-N 420.517 1.681 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1621800071 NMRLBWLCCMMOTG-UHFFFAOYSA-N 417.439 1.750 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1623648907 GRZCBQFWMQKCHD-CYBMUJFWSA-N 417.325 1.858 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1624091051 OVMQZFIPGVZYNW-WMZOPIPTSA-N 416.275 1.850 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN=S2(=O)CCCC2)s1 1628010893 QAJPAIAGCOOKNJ-UHFFFAOYSA-N 405.567 1.133 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1630323251 XELQAJIVWZDLIV-QZTJIDSGSA-N 412.534 1.833 30 10 HDEE Cc1cccc2nc(CCNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cn12 1631831808 HJNBNPPJGYBDLQ-UHFFFAOYSA-N 411.487 1.430 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1633075596 JFYKULZPQNAWJW-UHFFFAOYSA-N 414.915 1.506 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)C1CCOCC1 1633277285 KSUXAOWNOATYSR-FQEVSTJZSA-N 419.547 1.840 30 10 HDEE C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1633559799 QAKFIYCNCGODRR-UHFFFAOYSA-N 424.828 1.624 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2nc(C#N)cs2)C1 1639619016 IRLJZOQOCGSKTA-LBPRGKRZSA-N 408.509 1.072 30 10 HDEE C=CCOCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1641552686 WBYOEHYUZQWVET-PMPSAXMXSA-N 416.540 1.366 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 1644099232 JLRDFEWJTWTAHL-JOCHJYFZSA-N 405.506 1.468 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(CCC(=O)OC)ccc2O)cc1 1645298591 CCNCTOSKCIOOKP-UHFFFAOYSA-N 416.455 1.662 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](c2ncccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1645596776 TXZQYPBSPVVDPV-HUUCEWRRSA-N 413.503 1.700 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)nc1 1646095505 IYBVFNKJBCYXMK-CQSZACIVSA-N 405.505 1.396 30 10 HDEE COC(=O)Cc1csc(NC(=O)CNC2(c3cccc(C#N)c3)CCOCC2)n1 1647795689 NTGVOOLYKIZFCR-UHFFFAOYSA-N 414.487 1.964 30 10 HDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1653320030 JIJVRCUJTJVGSL-KRWDZBQOSA-N 415.471 1.127 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(I)cc(C(=O)OC)c1 1668435972 BGMFTJMHUGNJJY-CYBMUJFWSA-N 414.199 1.944 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1671150688 ORNWHWPVYRPPBF-JTQLQIEISA-N 418.313 1.245 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1674887513 HJZFTXAUSMKIPJ-OALUTQOASA-N 419.547 1.981 30 10 HDEE CSc1ccc(CNC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1C#N 1682743094 LGYLNVWQQKNZED-HNNXBMFYSA-N 408.491 1.796 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1689847393 YSIJSVZDGQVVAK-HJFSHJIFSA-N 422.580 1.465 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1689965877 FTDFSRGYNVOLGN-MRXNPFEDSA-N 423.514 1.319 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)cccc1C 1690001615 NYZOWKQMXFJGFV-SFHVURJKSA-N 413.547 1.821 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cnnn1 1690056364 PNOYHRFKEDLJES-QZTJIDSGSA-N 410.526 1.736 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCc2ccccc21 1690092253 BCDFPRANFOMRHJ-QHCPKHFHSA-N 423.517 1.434 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2cccc(C)n2)CC1 1690129451 XQJRXABDJZBFBP-UHFFFAOYSA-N 401.518 1.965 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1690244385 WZAKVAFUOLQJHF-WBVHZDCISA-N 420.539 1.307 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1690306368 UMYUSPSVQSESFQ-FQEVSTJZSA-N 423.456 1.955 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1690594834 HTWRFNOICBBJRN-INIZCTEOSA-N 421.567 1.808 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1690627601 KANCPBGDWFMGBY-AWEZNQCLSA-N 405.524 1.954 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1697505627 DEAXDJBFVOWVTR-AUUYWEPGSA-N 419.507 1.099 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1697988574 QBMNZIZRNBVXGY-LJQANCHMSA-N 409.494 1.514 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1698193734 HOJHKLDYLIPPMQ-INIZCTEOSA-N 409.450 1.880 30 10 HDEE COCCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1698220200 UBFXLPWNGIBSIU-IBGZPJMESA-N 405.478 1.635 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)CCO1 1698492424 CKEKFUHPQYSPKU-AWEZNQCLSA-N 414.441 1.095 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705497099 UCRVLRSCGFLDRA-OAHLLOKOSA-N 420.510 1.406 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705569952 ITIKKWUZOBZNLC-LJQANCHMSA-N 421.611 1.979 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705570118 MVZCMVDSJSITRO-PXNSSMCTSA-N 408.568 1.799 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1705610289 JNTXBYWRQGIZLJ-NRFANRHFSA-N 414.579 1.951 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705627545 JMBKZBKFSKENAH-QGZVFWFLSA-N 410.522 1.910 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705637149 LFXQHKJPKLDLHY-SFHVURJKSA-N 413.547 1.525 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705644290 LEKJZCYCLNSYGX-ZOCZFRKYSA-N 403.527 1.297 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705674335 FYRZLCGVMCYXCG-FRQCXROJSA-N 407.540 1.198 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1705714372 OEIZMNBMOKGROV-HTXNQAPBSA-N 408.466 1.664 30 10 HDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705724480 QKRWJWSKNDOJME-KRWDZBQOSA-N 409.494 1.991 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)N(C)C)CC1 1705780843 HZACYXQOIFHKLX-WMLDXEAASA-N 410.588 1.631 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1F 1705907861 ZXQJXRNNPIVVIW-UHFFFAOYSA-N 414.485 1.521 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC)C2)nnc1[C@@]1(OCC)CCOC1 1705909228 QNXUYTNAYIPJIB-OXJNMPFZSA-N 407.515 1.238 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)C1 1705921971 CUCCJZMMMWCWAG-WMLDXEAASA-N 400.483 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705927916 IVGAKLXTMCCFBL-GJZGRUSLSA-N 413.544 1.021 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1706747047 HRBMRTMSXAGLHL-AWEZNQCLSA-N 423.543 1.713 30 10 HDEE C[C@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1708248457 AUDYQJHPHPODPO-OKZBNKHCSA-N 404.515 1.359 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCn2cncn2)CCOC1 1710452896 CCWLUULIUNDWEW-IBGZPJMESA-N 400.487 1.352 30 10 HDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 1711551517 GSQZKUVTVSATCK-QZTJIDSGSA-N 415.519 1.865 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC2(C1)OCCO2 1712454637 JAWVOHRIVAPADF-INIZCTEOSA-N 415.498 1.588 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722304017 TYKSEDQACISQDO-IFXJQAMLSA-N 422.482 1.004 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC 1722344408 IYDOUBXBMZHDAK-MRXNPFEDSA-N 405.524 1.654 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722362337 SUFMAIDIPWYDBO-MRXNPFEDSA-N 424.486 1.116 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366152 GBIXNSDXONLNNQ-QWHCGFSZSA-N 406.430 1.709 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC1CC1 1722381456 AZHWHSIEACQVLE-UHFFFAOYSA-N 401.474 1.116 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1723691966 NBPTZLWGYPQKMV-RXVVDRJESA-N 419.526 1.864 30 10 HDEE CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1729744740 ADBOIJJJVBEUDL-GOSISDBHSA-N 406.487 1.054 30 10 HDEE CO[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1729834664 QPVVNBKHGSKINT-OAHLLOKOSA-N 405.466 1.363 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1730473256 XXHYAPHQSWDOKB-RXVVDRJESA-N 413.478 1.474 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@@H]1CCS(=O)(=O)C1 1740625452 FOIMZLJNNCHQRF-POAQFYNOSA-N 406.552 1.672 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740673022 DUICHCPSAXCQIO-MRXNPFEDSA-N 407.565 1.814 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1740689682 GSAFFPWCIMOQCI-UHFFFAOYSA-N 409.538 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(C)CCCO2)CC1 1740703801 AMGSPSOUXJNEGA-OAQYLSRUSA-N 411.510 1.214 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCOC(C)C)CC1 1740705506 HUROSHRVHWLNMG-LJQANCHMSA-N 417.554 1.953 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740889947 NRVCLIRIKKWBRZ-QAETUUGQSA-N 422.482 1.709 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1740965628 KEYSRKBLAGLBSO-KRWDZBQOSA-N 424.505 1.439 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NC(C)C)C1 1740980208 FSULQLPJEVNLRV-GOSISDBHSA-N 423.521 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccnc2OC)C1 1740984179 XJSICHYHFNEKCQ-QGZVFWFLSA-N 412.494 1.634 30 10 HDEE Cc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742777177 DSLSJTARCYXBJM-BQASMSSTSA-N 400.483 1.244 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1748673736 KQBGHBACSMALRD-CQSZACIVSA-N 409.943 1.872 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)Cc1ccccc1 1748766780 XUYXBOSUGPAVRA-SJORKVTESA-N 418.567 1.478 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1748906165 QCHMDQRFWIBFAD-HNNXBMFYSA-N 416.507 1.210 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CC1 1748989096 FBWPVKWEBIBQNM-LJQANCHMSA-N 417.579 1.826 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCCCC2)CC1 1749019190 NWGOHOLQWOWYAY-UHFFFAOYSA-N 402.543 1.266 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1 1749136002 KEFJBOCXGKEYTN-MDZRGWNJSA-N 416.526 1.083 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1749330562 HFEKMHNRCWBDHK-NHCUHLMSSA-N 405.543 1.399 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749664683 WSUWMSWNICEKLE-KRWDZBQOSA-N 421.505 1.432 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749754323 KJWKBCFQRARDQY-HOTGVXAUSA-N 420.583 1.889 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1760181141 QBPUSIJPZZJDMY-HXUWFJFHSA-N 424.530 1.506 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1760264950 ZRVDHDCDBDSYKQ-KRWDZBQOSA-N 420.558 1.731 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760361110 SDBCAITWICCLHC-GUDVDZBRSA-N 405.543 1.879 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760372579 OMQJFVQMIMRUTK-UHFFFAOYSA-N 421.933 1.800 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCCCO1 1760530374 OORILAKRSOHOIB-JZXOWHBKSA-N 407.515 1.310 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccn(C)n2)C1 1760536522 IBJVZEJKWXDOSD-NQIIRXRSSA-N 416.526 1.688 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760553909 LNKGHTCUTNYUID-INIZCTEOSA-N 404.540 1.874 30 10 HDEE C=CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1760569465 PESOICXMHKVISV-UHFFFAOYSA-N 403.508 1.721 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnc3n2CCC3)CCOC1 1760689025 RNFKCEUNLOWUGS-FOIQADDNSA-N 414.514 1.501 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nncn2C)cc1C 1761837004 BEMSUPGTMFWVJA-QGZVFWFLSA-N 408.466 1.380 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1763128051 LCOHXXNGMFVUQB-VAMXVVNJSA-N 400.483 1.401 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)O1 1764321670 WBOYHQJKFXMVJX-GQIGUUNPSA-N 404.515 1.943 30 10 HDEE CCc1cnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)s1 1764581515 HDQDAKKHNWHCKH-NWDGAFQWSA-N 411.557 1.694 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1768464092 HKWKNJASDDMNHB-UHFFFAOYSA-N 419.489 1.668 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCOC1 1769368455 CTDSCDLPOGBCSZ-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCS(C)(=O)=O 1770197049 PAZHOMITPICDBL-HOTGVXAUSA-N 411.528 1.177 30 10 HDEE CCCn1c(C(=O)N2CCc3[nH]nc(C#N)c3C2)cc2c(=O)n3ccccc3nc21 1849283930 MEIILVDNLYTMOK-UHFFFAOYSA-N 401.430 1.852 30 10 HDEE N#C[C@H]1CN(C(=O)CCCN2CCS(=O)(=O)CC2)C[C@H]1c1ccccc1Cl 1850415007 IWAXNGJKFRIDSN-DOTOQJQBSA-N 409.939 1.916 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)CCOc2ccc(C(F)(F)F)cc2C#N)CC1 1851477668 RLCSSJLLRWYKPA-UHFFFAOYSA-N 419.425 1.840 30 10 HDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1F 1852154026 DJBSRDWJENQRCS-UHFFFAOYSA-N 417.462 1.861 30 10 HDEE CC(C)CC(=NOCCN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853422248 LGHLHSGONUQMNV-UHFFFAOYSA-N 424.523 1.168 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1 1853548060 SPWNOODXNZZVSD-INIZCTEOSA-N 422.489 1.626 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)ccn1 1853729641 BVYQHMNJDHJBJD-LJQANCHMSA-N 403.442 1.152 30 10 HDEE C[C@H]1CN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853919254 ZTBGPPIRFCEJMR-YJBOKZPZSA-N 418.519 1.045 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(C3CC3)on2)C1=O)[C@@H]1CCN(C)C1=O 1854098642 HYEOSEDNYDSDFE-DLBZAZTESA-N 400.479 1.792 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCSc4ccc(F)cc43)C2=O)CC1=O 1854207956 RFFXSKZJNPXHLS-UKRRQHHQSA-N 403.479 1.900 30 10 HDEE C#CC[C@H](F)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 1854605929 MEYWYLOZURHIQU-QWRGUYRKSA-N 411.329 1.794 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855187401 XPLZJEAFGGVRNT-WMLDXEAASA-N 402.428 1.873 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855894277 HSCICJSAISRFAS-INIZCTEOSA-N 418.519 1.161 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCC(F)(F)C3)C2)CC1 1855915424 JSEYCRBFNMCAJE-JKSUJKDBSA-N 417.460 1.886 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@H]4CCCCO4)C(=O)C3)C2)s1 1856292708 ZPJZFYAVWWLXSJ-IAGOWNOFSA-N 416.547 1.824 30 10 HDEE Cc1cccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856598135 XRNCRPRMSRPZTA-GOSISDBHSA-N 419.503 1.840 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C1=O 1856741760 VOJNLWLZDHGCAR-HZPDHXFCSA-N 422.526 1.090 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1=O 1856749160 XBKMFFAGWXCFOS-GJZGRUSLSA-N 409.408 1.954 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856791997 MDZHLOMZMPRPKH-SJLPKXTDSA-N 407.492 1.669 30 10 HDEE COC[C@H](C)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856828299 BDIDFKBDUXWZSE-DOTOQJQBSA-N 418.925 1.800 30 10 HDEE Cc1cnc(N(C)[C@@H]2CCN([C@H]3CCN(C(=O)c4ccc(C#N)cc4)C3=O)C2)nc1 1857146112 KUCDJJDPLQZWBA-MOPGFXCFSA-N 404.474 1.609 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)c1ccc(Cl)cc1 1861493846 WHOKONPHQCYJSS-GOSISDBHSA-N 415.877 1.805 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862560752 IGTZWDFWBCZCDT-BLVKFPJESA-N 410.426 1.999 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C)nn2CCC 1864318617 ARAKIYLDUFEJPJ-SFHVURJKSA-N 412.490 1.969 30 10 HDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783488 RYAAEVQBCBJHCR-RDJZCZTQSA-N 403.552 1.303 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(N3CCCC3)ncnc21 1873561181 SWHBYYUCJDUYFP-UHFFFAOYSA-N 418.505 1.970 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874280525 URDDGUYFLXHVMT-RNDVCUHJSA-N 419.507 1.770 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccnc1 1874435070 LMJVUQLXHDYQLL-WSDLNYQXSA-N 417.539 1.932 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889642863 WCKRALBSDUIJCC-QMMLZNLJSA-N 412.559 1.785 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@H]21 1896443468 IUQWWOVQGPYXMY-NWDGAFQWSA-N 411.318 1.545 30 10 HDEE Cn1cc(C#N)c(=NC(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[nH]1 2010545356 UOWPFQQNZWQTTA-JOCHJYFZSA-N 424.505 1.822 30 10 HDEE CN(Cc1ccc(C#CCO)s1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2039296343 JUJLWZGNGCAFDS-UHFFFAOYSA-N 418.496 1.150 30 10 HDEE C=CCC1(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCNCC1 2108226849 AWWPMMNQCIPRLC-LJQANCHMSA-N 423.510 1.629 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157020505 RWZOKBQLSGWKPB-NSHDSACASA-N 403.331 1.337 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC[C@@H](C#N)C1 2174780754 XVRUASDFZKNWKK-LSDHHAIUSA-N 402.517 1.034 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@@H]1CCNC(=O)OC(C)(C)C 2174782069 MGBJQOWISNHBPZ-OAGGEKHMSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C(F)F 2174788393 FBEMCDWAFZBINZ-CHWSQXEVSA-N 402.423 1.732 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174789601 SJTJLXAZRCFSGM-GJZGRUSLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)CNS(=O)(=O)CC2(C#N)CC2)CC1 2194718055 OOFYGATYZLEYQN-UHFFFAOYSA-N 400.545 1.541 30 10 HDEE CC(C)(CC#N)CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197738715 FMDMBSODTQALRA-CYBMUJFWSA-N 401.529 1.855 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197740434 RYLTUXLCURBRIY-KGLIPLIRSA-N 404.529 1.242 30 10 HDEE COc1nc(SCC2(S(C)(=O)=O)CC2)ncc1B1OC(C)(C)C(C)(C)O1 2237869072 OXPABYUPWCUTAV-UHFFFAOYSA-N 400.331 1.454 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2243677461 WOAKUBLEMVTWAF-NSHDSACASA-N 424.332 1.501 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247827791 KKBUZUVGISGPGN-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247914897 SGYPNEWYJTYMAT-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921116 JTQGWPKQGQXFTR-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248057153 UKRUPRFFVIMXTB-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248405786 WWQSTKHCVBTUNV-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE C=CC[C@@]1(CO)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2259474152 RJFUSZBTPOKYDQ-HXUWFJFHSA-N 406.504 1.653 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2263335778 CMVJEMGAUFSQAP-QMMMGPOBSA-N 409.244 1.344 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC4(C3)CC3(C4)OCCO3)ns2)OC1(C)C 2267146030 IJQHEVJPSSPATH-UHFFFAOYSA-N 406.313 1.812 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371035 UUYBJFZCAWGHPN-RYUDHWBXSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CCNC3)cc2Cl)OC1(C)C 2267702763 LKDXKFIECKKCRX-SNVBAGLBSA-N 406.766 1.589 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C3OCCO3)CC2)n1 2281995340 BAPQKBVHQBYYLB-UHFFFAOYSA-N 405.304 1.427 30 10 HDEE CON1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CC1 2282309055 ZOIDIGCFIHWEMH-UHFFFAOYSA-N 402.347 1.223 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](O)C34CCC4)cc2Cl)OC1(C)C 2282323405 ZQGQPNRONYHBPD-LLVKDONJSA-N 419.761 1.989 30 10 HDEE C[C@H]1CC[C@](O)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282335939 WJEJGXXCERAEDR-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC(C)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339808 XOLCIHYJXQEYGD-UKRRQHHQSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@](C)(=O)N2CCCC2)OC1(C)C 2282340867 KSPOCUUUUWBTKI-RUZDIDTESA-N 420.387 1.845 30 10 HDEE CCN(CC1(O)CCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498645 HHKAMGSUIZBHOV-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499109 AGLIVURLFQEPOD-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3CO)cc2Cl)OC1(C)C 2282827554 ABRSOKODZVCQPF-NHCYSSNCSA-N 419.761 1.702 30 10 HDEE Cc1cc(S(=O)(=O)NCCSCCCO)sc1B1OC(C)(C)C(C)(C)O1 2282829235 BQOIUNIDEZMIOS-UHFFFAOYSA-N 421.415 1.750 30 10 HDEE C[C@H](O)C1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 2282829493 FPWCASITTRJJKN-NSHDSACASA-N 401.721 1.831 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1(CO)CC1 2282845619 WPXRYDWDALWDIR-LBPRGKRZSA-N 401.359 1.628 30 10 HDEE COC[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282864397 FPNVYHDLEHRPRQ-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE C#C[C@H](CO)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282871168 CHXADORAUGOWKR-LLVKDONJSA-N 420.123 1.565 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@](C)(=O)[C@@H]2CCNC2)OC1(C)C 2282879276 RDDSZHKOYPDMCK-SSINHNECSA-N 420.387 1.196 30 10 HDEE CC1(C)C[C@H](N)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883097 VVAYZFNRFPTXEK-ZDUSSCGKSA-N 400.375 1.689 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](C(=O)O)C2CCC2)OC1(C)C 2284414562 IQPPYNSGZBXBHV-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288909924 JZYVAGMUWVJGCU-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE COc1ccc(C#C[C@@H](N)[C@@H](O)c2ncc(I)s2)cn1 2295783623 IELWLNKYYXYELP-BXKDBHETSA-N 401.229 1.564 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](O)(C#CC1(S(C)(=O)=O)CCC1)CS2 2342030981 ACMSQQXLFSUPDJ-MRXNPFEDSA-N 401.550 1.815 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2342045464 SUWKMSLOMMFJLY-UONOGXRCSA-N 407.469 1.834 30 10 HDEE CC1(C)C[C@H]([C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365171671 MURTUBDRPADMHH-RRFJBIMHSA-N 402.557 1.537 30 10 HDEE COC[C@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365205688 VOYLEUPGBHJANM-KXBFYZLASA-N 402.557 1.947 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365206618 ZTLPUAPANOLKCF-YHZMMZGRSA-N 400.541 1.147 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806459 KSBHXKPTOHVCCP-QMTMVMCOSA-N 400.541 1.483 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367820272 QPNNJUJDLPZJLE-BZUAXINKSA-N 402.557 1.599 30 10 HDEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc3c(cc21)OCO3 13789729 PLRFHTINWFMLDU-VHEBQXMUSA-N 423.516 1.716 30 10 HDEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccccn1 21320002 BINPIBZIOHCDEK-DNTJNYDQSA-N 418.870 1.923 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN([C@H](C)C(=O)NC2CC2)CC1 28139992 APCOFGCIRQHTSP-ZIAGYGMSSA-N 415.563 1.720 30 10 HDEE CCCCNC(=O)NS(=O)(=O)c1ccc(N/N=C(\C(C)=O)C(=O)OCC)cc1 100177355 OYTUSRPBNAEGCK-HMMYKYKNSA-N 412.468 1.395 30 10 HDEE N#Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1[N+](=O)[O-] 302705658 GUKGATIVUFTNOB-UHFFFAOYSA-N 409.374 1.651 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)C1=O 410177803 IDHHKBGPIMYOFZ-SFHVURJKSA-N 423.535 1.341 30 10 HDEE COc1cc(Br)ccc1CNC(=O)C(=O)Nc1cc(C)n(CCC#N)n1 427090124 UOWFYWLMBLLNLU-UHFFFAOYSA-N 420.267 2.131 30 10 HDEE C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 427668938 UDGXCXDDJJPTDD-QGZVFWFLSA-N 420.535 1.128 30 10 HDEE C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 447172811 AZZCQGDYTQUVEI-CQSZACIVSA-N 410.927 1.529 30 10 HDEE COCCOc1ccc(F)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 469143834 GBHMGGISUILYHA-UHFFFAOYSA-N 420.466 1.628 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1 470318993 SYILBNDXAISUFN-UHFFFAOYSA-N 410.459 1.932 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c1C#N 473448363 LFFAXDFMZUQSBE-FUHWJXTLSA-N 413.455 1.572 30 10 HDEE CN1CCN(CC2(C)CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)CC1 480726138 FVYYKIGAJNGNNB-UHFFFAOYSA-N 408.543 1.877 30 10 HDEE Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1C 480954016 LYRXUULKQANBLM-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2cnn(C)c2)CC1 483334212 AKZBOEWYCQDZPG-FQEVSTJZSA-N 414.485 1.278 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3nccn3C)CC2)cc1 483571651 CMDJUZAEWWATFS-OAHLLOKOSA-N 416.507 1.456 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3cc[nH]n3)nnc12 483998285 AWPKCCGLFPPVHS-UHFFFAOYSA-N 409.475 1.704 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 486341172 GISCIFFZCGLCKP-CRAIPNDOSA-N 423.491 1.628 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc([N+](=O)[O-])s3)C2=O)cc1 486627423 NPBOUCSWOIJQGO-CYBMUJFWSA-N 406.445 1.607 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)nc1 501368099 BGACWANBXNUIAV-GJYPPUQNSA-N 414.535 1.328 30 10 HDEE C=C(C)CN(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(CO)o1 512170990 VFBPXMHFFLPELI-KRWDZBQOSA-N 412.552 1.822 30 10 HDEE N#Cc1cc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cnc1C(F)(F)F 513510171 ZVGYDDINFYHLBJ-UHFFFAOYSA-N 402.398 1.612 30 10 HDEE C[C@@H](NC(=O)CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1)c1ccc(F)cc1 546918838 XHSIXGYOQOLZNG-MRXNPFEDSA-N 424.480 1.208 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)CC2 555770682 SDYFRGVAIVINDX-UHFFFAOYSA-N 400.416 1.724 30 10 HDEE Cc1nn2c(S[C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n[nH]c2nc1=O 557894604 FSTXDMORXYTFGM-QMMMGPOBSA-N 401.477 1.662 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2sccc2Br)CC1 578788782 IRNRYZJAIBSBAM-UHFFFAOYSA-N 401.330 1.640 30 10 HDEE CN(CCc1noc(C2CN(Cc3cccc(C#N)c3)C2)n1)C(=O)C1CCOCC1 581809077 FKLUTPISOYHOLR-UHFFFAOYSA-N 409.490 1.968 30 10 HDEE COc1ccccc1CCNC(=O)C(/C=C1\C(=O)ONN1C)=NC(=O)c1ccccc1 585673252 QCEQVONFXCYVOK-LPMWMRFESA-N 422.441 1.427 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C(F)(F)F)OC[C@H]3C)CC2)o1 586777286 KFKMADZNEOAPAD-BXUZGUMPSA-N 401.389 1.155 30 10 HDEE CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1F 609255983 QGLYVSDAHFFDHS-UHFFFAOYSA-N 411.361 1.634 30 10 HDEE COCCOc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1OC 609257177 WNGCRRWWXOYGAH-UHFFFAOYSA-N 401.394 1.986 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 613119269 YYFGOJHPMCBGEW-UHFFFAOYSA-N 410.459 1.483 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CNC(=O)c1ccsc1 727001321 ITHVRRAQVTZNOE-UHFFFAOYSA-N 409.427 1.717 30 10 HDEE CCOC(=O)N(C)c1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732425104 BOSZGYBHVYITIB-WUKNDPDISA-N 401.423 1.927 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCOc1cccc(Br)c1 732448705 HMLBEBIYJCZORF-FOCLMDBBSA-N 423.267 1.654 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732468111 CEGHCAKLIGIOEW-ZGTROFRASA-N 407.471 1.164 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CCN1C1CC1 732650038 YAHIZMVUPYKSFO-GOSISDBHSA-N 415.453 1.690 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)CS(C)(=O)=O)C1=O 733201542 LNEZHAZAYNTBLM-SMDDNHRTSA-N 408.505 1.059 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCOc2ccc(C#N)cc2)ccc1F 741971133 FNMQGTHNTIUNCM-UHFFFAOYSA-N 403.435 1.970 30 10 HDEE C=CC[C@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 754172513 VZUSTVHFOGCEGP-QGZVFWFLSA-N 414.485 1.679 30 10 HDEE CCOc1cc(C#N)ccc1OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754264589 YLEPBVISIVSQNM-UHFFFAOYSA-N 408.414 1.684 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C#N 756894491 NTHSIFBCCUAOED-AAEUAGOBSA-N 403.464 1.870 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NCc1ccc(N(C)C(=O)[C@@H]2CCCN2CC#C)cc1 765477933 ICOFGSVRJIBRKI-VXKWHMMOSA-N 406.530 1.461 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 771258987 LWEYKMSJALOVOI-AWEZNQCLSA-N 419.409 1.836 30 10 HDEE C#CCN(C(=O)NCCCc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 774217122 GLGSLAWRACCMTD-KRWDZBQOSA-N 408.520 1.858 30 10 HDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2cnn(-c3cc(C)cc(C)c3)n2)c1=O 781137244 RXTFLBWKWIPQDS-UHFFFAOYSA-N 420.498 1.171 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784508833 ALESQTNSIZINJA-IAGOWNOFSA-N 417.487 1.113 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(C2CCCC2)c1C 786862104 XZYMRZJEADOCOK-GOSISDBHSA-N 413.478 1.911 30 10 HDEE CN1CCN(S(=O)(=O)c2cccnc2NN=C2CCCC3=C2CCC(=O)N3)CC1 788019992 HKOSRXQPAPBZSG-UHFFFAOYSA-N 418.523 1.134 30 10 HDEE Cn1ncc(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)n1 791539109 VUIHTMRKBOAGMM-UHFFFAOYSA-N 401.326 1.324 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)c(F)c1 810088805 VFEBJOUAVZIYFK-GFCCVEGCSA-N 407.389 1.918 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(C)c2C(=O)OCC)cc1 811052975 FKLPDNCUWJOLQK-UHFFFAOYSA-N 408.432 1.981 30 10 HDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812134727 YKJFINYFANWSGQ-QGZVFWFLSA-N 418.519 1.439 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)C(F)(F)F 813980133 RSXZKRLKDMIRJN-JTQLQIEISA-N 408.358 1.214 30 10 HDEE Cc1nccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1 814697020 VASPYVXQCLEQJK-UHFFFAOYSA-N 406.424 1.160 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 871825775 BGIVPQJKDPPQLP-HNNXBMFYSA-N 413.517 1.050 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 919845764 DASZMBUQIHABDK-CABCVRRESA-N 420.535 1.398 30 10 HDEE C=CCOC[C@@H](O)Cn1c(NN=C(C)c2ccccc2)nc2c1c(O)nc(=O)n2C 1081080171 FYZHYHRHDROHRH-HNNXBMFYSA-N 412.450 1.235 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CN1CCCC2(CC2)S1(=O)=O 1127889438 QAJJKTKRPWWITL-UHFFFAOYSA-N 400.464 1.344 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cc(C#N)ccc3F)CC2)cn1C 1129597376 AAXRQRZRHMTAQR-UHFFFAOYSA-N 405.455 1.779 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 1136779583 YXYXZNKWXSWEHA-LJQANCHMSA-N 416.547 1.952 30 10 HDEE CCOC(=O)CN1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1137190688 XMXXQEJGCCFNOT-INIZCTEOSA-N 410.515 1.671 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H](c2ccccc2)N2Cc3ccccc3C2=O)CC1 1137371635 UAJKODVBKJLRAJ-OAQYLSRUSA-N 402.454 1.968 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CC(C)C)CC1 1140133376 YRJYFSQOJFZDSX-DHIUTWEWSA-N 424.589 1.674 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1140500395 ODHVALNKJQIRMJ-HNNXBMFYSA-N 401.529 1.081 30 10 HDEE C=CCc1cc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc(OC)c1OC 1153324290 AOOBUTZYBFXBTF-HXUWFJFHSA-N 417.550 1.959 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2ncc(C#N)cc2Br)CC1 1162442109 BWMZOPNFLNBCGK-CYBMUJFWSA-N 410.316 1.379 30 10 HDEE COC(=O)[C@](C)(CCF)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1171955089 XJSIWHGZZDMCMC-XLIONFOSSA-N 408.449 1.415 30 10 HDEE Cc1nc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)no1 1176098278 XZUIPNCBIVOABE-JKSUJKDBSA-N 400.508 1.638 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(OCCOC)c(Br)c2)CC1 1213161577 DUTSLUCVHQPOBC-UHFFFAOYSA-N 418.309 1.623 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1225938749 SGELHNHTACIRAJ-CZUORRHYSA-N 416.482 1.450 30 10 HDEE C#CCCN(CCOC)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1248552144 GXOGSRYOMSNUPX-SFHVURJKSA-N 403.479 1.486 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C)C1CCOCC1 1253348545 REXGAWSKEGHMGS-UXHICEINSA-N 400.523 1.003 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(C)CN(C)C2=O)c1 1286311626 KVJKBBMUTSSDBU-JOCHJYFZSA-N 424.505 1.349 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1286363210 KXIBWIWZNJRLEH-JOCHJYFZSA-N 411.506 1.798 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286392645 JDIIFLWUQUOJMP-CABCVRRESA-N 421.548 1.222 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N3CCCC3)CCOCC2)CC1 1286486817 BSTIAXOXBICBAA-UHFFFAOYSA-N 414.554 1.197 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286526354 RLBKIDZFAZDOBL-IPELMVKDSA-N 408.524 1.061 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CC2)C1 1286798943 PRNHVGIADFJJDM-HBIPHATFSA-N 407.540 1.207 30 10 HDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cn1 1286893317 BZBIUURKTDUSAT-UHFFFAOYSA-N 417.477 1.582 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2=O)cc1Cl 1289377745 XMBUOPDOAXESQA-MCIONIFRSA-N 407.879 1.068 30 10 HDEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)s1 1290679449 XLCKQTPVNXCIKX-CQSZACIVSA-N 416.511 1.036 30 10 HDEE NC(=O)C1CCN(C(=O)c2ccccc2NC(=O)c2cccc(C#CCO)c2)CC1 1290799896 XRQWFKXHOMFFQW-UHFFFAOYSA-N 405.454 1.620 30 10 HDEE N#CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1293713118 PLVHBNKFJZRAJQ-UHFFFAOYSA-N 424.832 1.305 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CCO1 1299137980 SNIHZRCFTVQPMO-QGZVFWFLSA-N 412.494 1.583 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1300382247 PANRUOAUSLZPJR-UHFFFAOYSA-N 406.490 1.886 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300471725 MGQXCDMBIZVQNK-OAHLLOKOSA-N 404.515 1.725 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@](C)(O)CCOC 1300530003 UVPBWGWWRMOLBL-HSZRJFAPSA-N 418.501 1.991 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1300761623 DFNLKOBXASIIMH-GVDBMIGSSA-N 424.592 1.552 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300770796 ZIAXIGRODMIHSV-INIZCTEOSA-N 424.530 1.762 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CCO1 1300948353 DMRSDUKHJOTFDF-FQEVSTJZSA-N 408.458 1.907 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300990527 FRXOPDDGLKGMAH-SFHVURJKSA-N 414.510 1.583 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCS(C)(=O)=O 1301483309 NSQWIZZINAHWIL-UHFFFAOYSA-N 411.915 1.382 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1301585802 BKPPAOIGVCPTBK-FUHWJXTLSA-N 419.551 1.868 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1305547267 FBAYFXSLXYVONF-ZBFHGGJFSA-N 403.508 1.972 30 10 HDEE C#CC1(O)CN(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1 1312149152 ROPOLEFPDFFHKA-GOSISDBHSA-N 420.437 1.847 30 10 HDEE CCn1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 1313435691 UQCJDMRLACHMFA-UHFFFAOYSA-N 400.414 1.011 30 10 HDEE CSc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)ccn1 1316413155 FFJSNBGGDJDPOD-UHFFFAOYSA-N 405.487 1.918 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nnc5n4CCC5)CC3)CC2=O)cc1 1320613071 TVWPTJBTJYPNQE-KRWDZBQOSA-N 404.474 1.855 30 10 HDEE COCCCN(C(=O)c1cccc(C#N)c1Br)[C@H]1CCS(=O)(=O)C1 1349135179 JJHZYGFKLVHYKL-ZDUSSCGKSA-N 415.309 1.987 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1358930128 OTTFSJKMKKKWFC-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358959308 GHSQAWYIVBHOHC-CRAIPNDOSA-N 413.503 1.478 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1358965910 DNXFCMGAVUEFSG-INIZCTEOSA-N 418.523 1.182 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)C(C)(C)C 1358999571 VZXPDQRQOHGUIV-UHFFFAOYSA-N 411.572 1.869 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359037536 NBNHSWFCDVXQSA-LJQANCHMSA-N 424.524 1.469 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1359100626 DPLNQVXYWWYBHM-IEBWSBKVSA-N 417.535 1.480 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1359240569 RTSCSONVSKAJBE-GOSISDBHSA-N 424.615 1.076 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359299792 NOCQCFBIDIBSFF-NVXWUHKLSA-N 413.526 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(C)ccc21 1359332064 NXFWDEKMKTZZBO-MRXNPFEDSA-N 415.519 1.833 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2c1ccc([N+](=O)[O-])c2F 1436377280 PAFYKQPCGIVYGC-UHFFFAOYSA-N 404.379 1.362 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 1455705176 OHNGXKLDULIVPQ-IAGOWNOFSA-N 409.577 1.671 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1cccc(C)c1 1463163534 OIMLXIOUVSEIMY-MHYXUVESSA-N 415.515 1.301 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1463925516 CRRPDFVYNDFKNX-GJZGRUSLSA-N 400.522 1.341 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(CC(F)(F)F)CC2)c1 1464497222 CYNUWXLLSONVIO-UHFFFAOYSA-N 407.389 1.833 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)C1 1471832172 ALIVVUICPCENKP-IBGZPJMESA-N 419.547 1.097 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc1 1472166840 YQWCPZJVUKIJEA-KRWDZBQOSA-N 412.533 1.190 30 10 HDEE COCCN(CC#N)CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1473526989 MDCHYSPKSPVEDU-UHFFFAOYSA-N 408.524 1.580 30 10 HDEE COC(=O)C[C@@]1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCOC1 1475177658 DXENCDREVZGNQO-AWEZNQCLSA-N 403.254 1.321 30 10 HDEE CCCNC(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1501178016 DNRGZRXWCCZLMF-HNNXBMFYSA-N 416.457 1.641 30 10 HDEE CN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503529003 QTLFANIJSMMDQE-DXQAYGFFSA-N 400.483 1.545 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1503708679 MVJUHLXYIPAKOS-SPLOXXLWSA-N 409.494 1.113 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1504966244 RNZMAFHGKGTISP-KUHUBIRLSA-N 420.445 1.467 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1505127003 QCQNJWOTBXBAIV-CQSZACIVSA-N 419.507 1.698 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1507612957 IJAVULCASBVLPA-MRXNPFEDSA-N 401.492 1.163 30 10 HDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1507640376 RAHLETTZGOONKA-MRXNPFEDSA-N 404.467 1.809 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nnn(C)n1 1507709023 QBMYRBGTFDVRJS-UHFFFAOYSA-N 403.450 1.151 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(C)COCCO1 1507714175 JHLIYMIACQESRJ-OAQYLSRUSA-N 418.469 1.888 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507947990 MTFBJWJPIIVSNV-ZWKOTPCHSA-N 401.559 1.412 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1507973220 WAFMBPORDKBOGA-UHFFFAOYSA-N 420.535 1.901 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)C1 1508123586 NASVVRDAFLQFJJ-KGLIPLIRSA-N 416.448 1.505 30 10 HDEE Cc1nnsc1Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1510514492 AURXZQDHQNZRFS-UHFFFAOYSA-N 400.512 1.739 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1511972758 SRKLDDPAOQRCBP-CQSZACIVSA-N 401.430 1.997 30 10 HDEE CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@@H]1CCOC1 1516183177 ASPWVYXTDRDTJK-FJCQRBJLSA-N 409.508 1.880 30 10 HDEE COCC1(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1518778541 PFKSQKRAZJUYHR-QGZVFWFLSA-N 416.526 1.840 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21 1519530658 MSWUSJZRLCDJDC-QZTJIDSGSA-N 415.519 1.867 30 10 HDEE C#CC[C@@H](COC)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1534145998 NJKTZZWKRYKCHQ-ZDUSSCGKSA-N 403.298 1.224 30 10 HDEE CO[C@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCSC1 1535585927 MNBVVYGACCFLKY-KXBFYZLASA-N 402.476 1.402 30 10 HDEE N#CCSCC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536174080 KTZQUCAHZNYBOH-GJNTUIEKSA-N 403.548 1.896 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCO1 1538843758 AXHLBVZDKDEFAB-NRFANRHFSA-N 417.531 1.717 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539015286 UCZKMPUYDDKDRC-BBWFWOEESA-N 410.526 1.741 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1539369640 NSCXDBMYFGOAOH-KRWDZBQOSA-N 401.536 1.976 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCSCC)CC1 1539477424 MBPZBLCLZKDQGK-UHFFFAOYSA-N 415.567 1.788 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1539613066 UDICCTAGJLEEFZ-BQFCYCMXSA-N 418.542 1.489 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539831573 JXLMLRPAHROOFB-LPHOPBHVSA-N 410.540 1.521 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21)C1CC1 1540094487 GUPYAYJIJWPQAJ-HUUCEWRRSA-N 419.555 1.817 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540869798 XERITHQMOBRHNF-MRXNPFEDSA-N 411.510 1.446 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540874263 ZVABUOMFMVKNJG-INIZCTEOSA-N 415.498 1.582 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1 1540899672 XEZMKUAHNONAAQ-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1540917379 UUXQOCQNEQIOIL-OAHLLOKOSA-N 415.585 1.173 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1COCCO1 1541364247 CXKUJDDDLRTWRG-HOTGVXAUSA-N 412.498 1.194 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCN1CCCC1 1541678907 LVTXNXOKRNYDNE-QGZVFWFLSA-N 403.531 1.411 30 10 HDEE COCCC(=O)N1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1545689080 UFGMRJNTRZUITD-INIZCTEOSA-N 410.515 1.717 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1=O 1554363257 GBQIKPHKRCPUAR-QGZVFWFLSA-N 410.478 1.434 30 10 HDEE COC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555352389 PEJODYYLPCTOHU-CABCVRRESA-N 419.507 1.556 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1555989849 SFHXVGXTELIEOV-OLZOCXBDSA-N 410.356 1.510 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1CNC(=O)OC(C)(C)C 1558640875 XGBNQIABDZXBGJ-NOJWBWKLSA-N 420.510 1.912 30 10 HDEE C=CC[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1561460768 WYRCUGCYQMSYOB-ZIAGYGMSSA-N 406.501 1.050 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)C1CCOCC1 1562496869 JWJTYAMLZTVXRB-KRWDZBQOSA-N 420.897 1.708 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@@]3(C)CCC(=O)N3)c(C#N)c2N)cc1 1564888727 RLQNKKPSJYAVOM-OAQYLSRUSA-N 409.494 1.535 30 10 HDEE COc1ccnc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1565652238 BDTCUHLYMZUFHF-UHFFFAOYSA-N 418.450 1.489 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](OCC)[C@@]23CCCO3)s1 1567413979 IEUQYYWYSOUYLA-IIDMSEBBSA-N 414.549 1.598 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1)C(=O)OC 1570221836 XYYXNFBFAWVICZ-FQEVSTJZSA-N 408.454 1.849 30 10 HDEE C=CC[S@](=O)(=NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 1586027956 UQTHJKBLRBTCRU-HJFSHJIFSA-N 423.516 1.392 30 10 HDEE C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1586774143 ZYUAMBCRDCJJON-TZMCWYRMSA-N 407.492 1.446 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1c(C)[nH]c(-c2ccncc2)nc1=O)C(=O)OCC 1587285797 LGDAPIJTBITZMU-HNNXBMFYSA-N 404.854 1.873 30 10 HDEE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1587595459 AMVQZJMIANRWQV-GJZGRUSLSA-N 409.442 1.933 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1587809090 ZBCAZWUGWJDXDQ-QGZVFWFLSA-N 416.551 1.628 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1587852146 RBORRRNIXJPCCR-JKSUJKDBSA-N 413.551 1.982 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1588050889 XACNGJCJTSKRHV-MRXNPFEDSA-N 404.540 1.742 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588053907 IUEMSAJYWYJDSR-OXJNMPFZSA-N 418.519 1.673 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1588083674 ICQRRHNLLPCWLA-CQSZACIVSA-N 421.473 1.947 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H](C)N(C)C 1588093257 HTNJHUSVADBKHO-INIZCTEOSA-N 411.506 1.994 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1588386941 QXPHLBOMOUYRQN-OAHLLOKOSA-N 405.524 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1588813296 WTRUBMLCNRTQQO-IBGZPJMESA-N 410.522 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCn2cc(Cl)cn2)CC1 1588955190 QDOZPCQLYLTHOT-UHFFFAOYSA-N 415.929 1.747 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1589070659 VVDWPUMHQUICMN-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1589580217 NGPIBKSMQJYUTD-JKSUJKDBSA-N 411.572 1.638 30 10 HDEE C=C(C)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593682753 AQTVPUAEJNRUMP-HXUWFJFHSA-N 407.515 1.366 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1594895665 MNULYQULBHUFMI-GOSISDBHSA-N 408.549 1.839 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 1595584843 QTXBSPBSONMTTG-HNNXBMFYSA-N 407.492 1.779 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)COC)CC1 1596084955 KXARVUIKHYCFRX-AWEZNQCLSA-N 403.907 1.776 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)nnc1-c1ccc(Cl)cc1 1596717379 NATWQDXFAVDPGF-QDMKHBRRSA-N 408.911 1.877 30 10 HDEE C#CCN(C[C@@H]1CN=C(c2cnn(C)c2)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1620580389 WCCVEGRYGHNHHZ-SFHVURJKSA-N 401.511 1.900 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OCC)C1 1622725012 HSAIXCXFVZOHHP-UHFFFAOYSA-N 407.492 1.472 30 10 HDEE CN1CCC[C@@](O)(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1624379868 FZDOTFLZWAWOOX-OAQYLSRUSA-N 414.485 1.361 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1627263821 AZMVHLPQMPLTQA-UHFFFAOYSA-N 404.448 1.286 30 10 HDEE C#CCN(C(=O)NCCCN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1628421241 FNYDHZNWPNGMLW-UHFFFAOYSA-N 408.543 1.753 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C[C@@]3(O)CCCN(C)C3)c(C#N)c2N)cc1 1629236631 VQDUSDZBWYFCJG-QFIPXVFZSA-N 410.522 1.530 30 10 HDEE CNC(=O)CN1CCC(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1629453948 KGHFDQWRMMZIEN-UHFFFAOYSA-N 415.343 1.234 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)cc1 1629497301 NUFWGDAADGGABV-UHFFFAOYSA-N 405.520 1.413 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)CC1 1629536984 LYHSJUPZXSLXKI-UHFFFAOYSA-N 414.325 1.138 30 10 HDEE N#CC1(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 1630290841 FSTYJIKVKYPTLW-UHFFFAOYSA-N 406.508 1.591 30 10 HDEE Cc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1-n1c(C)cc(C=O)c1C 1633550201 LHQZPZXUFHKKSC-UHFFFAOYSA-N 419.441 1.779 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1635948433 BNFHOZPVUNJYOX-NRFANRHFSA-N 423.510 1.834 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)Cc2cccc(F)c2)s1 1636605889 JGJOWUNGCLRRPS-HNNXBMFYSA-N 412.508 1.614 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2cnn(-c3ccccc3)c2)c(=O)n1C1CC1 1641347364 RPUHQMFZOKZLKO-UHFFFAOYSA-N 404.430 1.027 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1 1644284678 BYWHTHVXYQYYFZ-UHFFFAOYSA-N 422.507 1.483 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1644798668 SMBDRGKDUXRDMU-VGSWGCGISA-N 405.539 1.959 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@@H]1CN(C)CC2 1645357235 IAKUZWJCIVCZQL-LZLYRXPVSA-N 418.563 1.835 30 10 HDEE C#CC1(O)CN(C(=O)C2(NC(=O)NCc3cccc(Br)c3)CCCC2)C1 1648357868 DEOKOFDWUKEQSL-UHFFFAOYSA-N 420.307 1.768 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H]2CCOC23CCOCC3)CC1 1648562904 BEWDPWIDZMPDAE-AEFFLSMTSA-N 404.536 1.385 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)CC1=O 1648719442 NLLRIXGZDZQXCN-DNVFCKCGSA-N 409.534 1.798 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCNC(=O)c1cnccn1 1650677496 VTSWYSJTPUMQSI-UHFFFAOYSA-N 404.224 1.036 30 10 HDEE CN(CCCNC(=O)COc1ccc(Br)c(C#N)c1)S(C)(=O)=O 1652243423 VNGKHFBXAGRPGV-UHFFFAOYSA-N 404.286 1.097 30 10 HDEE CN(C(=O)Cn1cc(C#N)c(I)n1)c1ccc([N+](=O)[O-])cc1 1652916001 FKYWALAJVUNLCJ-UHFFFAOYSA-N 411.159 1.931 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1653661929 BTOHJKXUJTWFGS-ROUUACIJSA-N 402.495 1.871 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1657038450 IVRJPBYCHCAETD-UHFFFAOYSA-N 410.439 1.356 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C)c(-c3ccccc3)s2)CC1 1658148779 GJZIVLDSPBRMLN-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C1CCOCC1 1660826439 AEVKXRIEZRBFGB-KRWDZBQOSA-N 415.475 1.827 30 10 HDEE CN(CC(C)(C)C#N)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1669385499 CEQGLYMDCONRPJ-QGZVFWFLSA-N 409.508 1.835 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 1671140032 MYKNPQRDQBJICE-UHFFFAOYSA-N 416.293 1.759 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)[C@H]1CCCO1 1680314097 IKPWGFJDKULGMZ-HRCADAONSA-N 415.494 1.754 30 10 HDEE CN(CCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1ccc(F)cc1 1681847973 KJKYZUIOMDSXRF-SFHVURJKSA-N 416.478 1.784 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCCO2)CC1 1682300285 FGLLZGYMMDFSBE-KRWDZBQOSA-N 422.526 1.183 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1686525718 NQCHDDXFMOXOBC-UHFFFAOYSA-N 413.499 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1C 1689840426 ZGNJZSLTDCGIKB-CQSZACIVSA-N 402.466 1.469 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1689946326 PAEVDNZKOUOCKF-CQSZACIVSA-N 406.512 1.190 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1689946674 UKBDDHHXGRNEQG-GFCCVEGCSA-N 411.915 1.668 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1689986134 JFURPMOBYGGTJG-RBUKOAKNSA-N 412.515 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1690015116 ASTBSPOZYLBSOU-INIZCTEOSA-N 423.473 1.376 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1690015841 YYUYGSKFKCYACZ-QAPCUYQASA-N 419.485 1.682 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1690059352 OGEVKCNCJHYVHV-LSDHHAIUSA-N 424.596 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2nccn2C(F)F)CC1 1690150842 XUGPIHYCHRMHOE-UHFFFAOYSA-N 417.464 1.836 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(C)(=O)=O 1690202922 KWLBCCVXYOVYSG-GOSISDBHSA-N 405.480 1.043 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(C)(C)C 1690255900 XWLSZGOLQVNCBM-MJGOQNOKSA-N 418.586 1.815 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690294713 XIRVKNCVTWQQLO-UONOGXRCSA-N 400.508 1.561 30 10 HDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1690508070 AOPQMNPPUFNSDU-SFHVURJKSA-N 413.478 1.662 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1690538446 IPLRGVRZTHIADM-LJQANCHMSA-N 410.540 1.662 30 10 HDEE Cc1cnn(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)c1 1693300740 FGFFQJVUJZPZHI-GOSISDBHSA-N 411.441 1.930 30 10 HDEE CCCN(CCC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1695334065 CRTHKGVDJUXYMT-SJORKVTESA-N 403.531 1.470 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1696807661 IZPGAXLKGDDTLJ-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCOC)CCO1 1696964725 OLRCSJOHXLSROV-GOSISDBHSA-N 412.494 1.585 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC=CCO1 1698058889 PPPOZFPQWZVWMF-MRXNPFEDSA-N 411.466 1.637 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCO1 1698171184 XFARPVSSROOELL-NEWSRXKRSA-N 418.542 1.748 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705508608 QBYWTOFRUUILRB-INIZCTEOSA-N 400.527 1.715 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1705550202 UQLJADXZUIZZIR-MAUKXSAKSA-N 422.489 1.313 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1705559444 ARPMXDDUIVNWGK-SHPPYHEDSA-N 424.567 1.132 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705632722 ADHIVLRKZBJQOV-PMACEKPBSA-N 402.587 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nccs2)CC1 1705652976 UTDDVHTXMJIYHT-UHFFFAOYSA-N 402.524 1.480 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1705739634 MFDXNUSCWRGDTO-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C)C1CC1 1705855028 UOHDZPSSYTYTMB-ZBFHGGJFSA-N 409.556 1.812 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1706586384 VZFWTCZLMUGOST-KRWDZBQOSA-N 423.521 1.839 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@H]1NC(=O)CC1(C)C 1712453992 FQELSDNRLHYSLE-HZPDHXFCSA-N 404.515 1.801 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1722297254 YSAHDWNYFBXPGN-ARFHVFGLSA-N 408.524 1.181 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722365238 DFAAPKDIMGUQPM-MOPGFXCFSA-N 421.611 1.978 30 10 HDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccccc1 1722540070 ARZOHGFMVRXGDY-MSOLQXFVSA-N 408.506 1.905 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722626755 GCNKQWCOZIAOJY-DLBZAZTESA-N 404.515 1.321 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1722631488 OKLZJPDSLURYGO-CYBMUJFWSA-N 409.512 1.576 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1722680866 BVFIKYKVJYOZLN-QAPCUYQASA-N 400.545 1.226 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C[C@@H]1CC 1722696508 AQESRHYCSIUYAW-KGLIPLIRSA-N 400.483 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(CC)C1 1722728195 RSQVHERDAJAORE-GOSISDBHSA-N 406.512 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)OC)CC1 1722737126 UDIQDOKRQFPVAI-OAHLLOKOSA-N 412.512 1.120 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1722863746 MIBLUWLRVBLZBH-LSDHHAIUSA-N 424.571 1.691 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1729762369 GGAOHJZQAGJDRN-QGZVFWFLSA-N 424.505 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCSC)CC1 1740708472 QSQRFBPDRGBHPS-UHFFFAOYSA-N 418.567 1.119 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1740868116 DZLJJZULHCVQMT-CQSZACIVSA-N 412.560 1.207 30 10 HDEE CN(C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1747660179 WJYMDVMLXAQXIG-UHFFFAOYSA-N 418.523 1.919 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1-c1ccccc1 1748772253 RPSACGSAOZXXML-NRFANRHFSA-N 407.478 1.629 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(N)=O)cc1 1748852712 LFIASKWBWNUNCS-UHFFFAOYSA-N 404.499 1.854 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCCC 1748889437 JTMKQVPIHPGQJL-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCOC[C@@H]2C)n1 1748971138 DVVZYMNQWBDZGN-ROUUACIJSA-N 400.527 1.996 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2=CCCOC2)CC1 1748999438 WDDHMMDPORLMFB-UHFFFAOYSA-N 423.517 1.968 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CCC(=O)N2CCOCC2)CC1 1749330081 XDXPPOLBPGULPU-QGZVFWFLSA-N 421.542 1.653 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1749372957 BRCFOZXPWIGCCD-MRXNPFEDSA-N 402.543 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749658878 XEMBATBUEUNVBC-KGLIPLIRSA-N 415.885 1.011 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749664645 VKSNEOIBQYMUKV-LJQANCHMSA-N 424.549 1.714 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1749669605 MCPJYIGOHDMKBL-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682712 YUZOKIVECJKGMT-YRNRMSPPSA-N 423.583 1.951 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCOCCCO)c1 1750380923 CEWOAIWPCBDVRS-UHFFFAOYSA-N 412.494 1.308 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760117932 VXJFXOOJABLQQC-SAGLZJIZSA-N 406.552 1.579 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN(CC)S(C)(=O)=O 1760120961 OQRWIXFSROGKNC-INIZCTEOSA-N 404.540 1.393 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1760157258 JOMKXMNDXWTWRM-IBGZPJMESA-N 408.510 1.655 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760158274 ICWFEBLPXHOAEY-CRAIPNDOSA-N 416.453 1.770 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760171512 MLYLJMBOVBUZIA-MOPGFXCFSA-N 408.506 1.200 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnccc1OC 1760175799 RRAGEODAKGWIMR-UHFFFAOYSA-N 418.505 1.973 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCCCO1 1760209685 GSZHELSDJWDLMF-IAGOWNOFSA-N 407.540 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NC(C)C 1760211284 FBRQCIGLXVWYRI-OAQYLSRUSA-N 401.511 1.306 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nccs1 1760248488 AILUTFRELMKLKM-HNNXBMFYSA-N 423.564 1.356 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@H]2OC)CC1 1760273473 VYLPHJBLKGTXTB-ZWKOTPCHSA-N 403.527 1.596 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CC(OCC)C2)C1 1760542807 OIAKBYKPDBPEDU-DQOAATFDSA-N 406.527 1.883 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CCOC 1766372078 QPPARBBQIDDAMB-UHFFFAOYSA-N 405.890 1.838 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1768587045 NHHYJPNLBIUYHF-IBGZPJMESA-N 422.489 1.457 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ncn2c1CO[C@@H](c1ccc(Cl)cc1)C2 1850930791 VIHFJTOIYSREAH-LJQANCHMSA-N 414.893 1.873 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(c3nc(Cl)nc4[nH]cnc34)CC2)c(Cl)c1 1851620795 JDRGRXNZFGOFAV-UHFFFAOYSA-N 403.233 1.889 30 10 HDEE C[C@H](C(=O)NCC#CCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1852277052 UMLXONULDIZTEA-CYBMUJFWSA-N 403.426 1.478 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3nnc4n3CCCC4)CC1)OCO2 1852927354 OKMMDUAHPGVLOU-UHFFFAOYSA-N 408.462 1.102 30 10 HDEE O=C(c1cccnc1O[C@@H]1CCOC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853281201 BIOCWTRTRNGNOB-SNVBAGLBSA-N 407.370 1.733 30 10 HDEE COC(=O)C1=C(NC(=O)[C@H]2COCCO2)c2ccccc2[C@]1(C#N)c1ccccc1 1853332258 SUHNGMJNTCBVRQ-JPYJTQIMSA-N 404.422 1.926 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(N3CCOCC3)nn2)C(=O)C12CCCCC2 1853702629 PWQSRVSFNZXHPD-UHFFFAOYSA-N 413.522 1.877 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCCC[C@@H](N2CCCN(CC(=O)N(C)C)CC2)C1=O 1853858180 MGUVROHPNQOQPO-RTBURBONSA-N 406.571 1.592 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC(Cn4cncn4)CC3)CC2=O)cc1 1854021612 MGJJITPELWRHHU-FQEVSTJZSA-N 406.490 1.480 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)CC2CC(F)(F)C2)C1=O 1854252536 FMQRALBSPIWCPB-MRXNPFEDSA-N 418.448 1.422 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COc2cccnc2)C1=O 1854262805 MVHMWFUYVRHCFY-ROUUACIJSA-N 400.479 1.087 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)c1 1854463915 KVFSKLROSLJEKD-KRWDZBQOSA-N 401.488 1.343 30 10 HDEE Cc1ocnc1C(=O)N1CCCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854743389 KBTTUKSWRSBEST-KRWDZBQOSA-N 408.462 1.593 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ncn3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855122612 UQOGZEMVAZRCIY-HNNXBMFYSA-N 405.458 1.647 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3nc(-c4cccnc4)no3)CC2=O)cc1 1856294376 AMKXDNRZXNASNG-UHFFFAOYSA-N 402.414 1.417 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@@H]3CCc4ccccc4O3)CO2)cc1 1856792187 PTAKCDRFUWDBKL-APWZRJJASA-N 414.439 1.800 30 10 HDEE C[C@H](C(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@H]1CCOC1 1856907157 WRASBJBNSMFTSL-HOCLYGCPSA-N 419.503 1.699 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@@H]1CCN(C)C1=O 1857062342 IHYDZQHLSYDULX-PKOBYXMFSA-N 417.550 1.677 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C[C@H](O)CNC(=O)c2cccc(C#N)c2)cc1C 1858028026 CVINBKUYCYRKQG-GOSISDBHSA-N 401.488 1.587 30 10 HDEE CCc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858316675 KVAMRDDDXLNLHG-QGZVFWFLSA-N 419.528 1.862 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868796032 PWHJLUGZYLWKKH-ROUUACIJSA-N 417.579 1.694 30 10 HDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)OCC)CC1 1869930050 RUJSITUZKCZAAG-OAHLLOKOSA-N 422.507 1.195 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN(CC)CCO 1870747755 NTVSIOOCPMVIMO-UHFFFAOYSA-N 415.490 1.875 30 10 HDEE CCCOc1cccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)c1 1874434133 PEDNZQKCSJXIJF-KEBDBYFISA-N 405.480 1.850 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(=O)n3ccccc3nc21 1875238823 FFRGAQSVLHAFEY-UHFFFAOYSA-N 415.457 1.588 30 10 HDEE CN(CC[S@](C)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2005012392 GDCRUOQXPOVLAK-QHCPKHFHSA-N 403.151 1.958 30 10 HDEE CC1(C)OCCO[C@@H]1CNC(=NC[C@H]1CCCO1)N1CCN(c2ccccn2)CC1 2087917247 HFVWIZUNGWGYTG-RTBURBONSA-N 417.554 1.522 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)N1CC[C@@H](C#N)C1 2118154648 JYPPXARJQJFSFL-ZJWNCGCPSA-N 408.546 1.479 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174779322 HWJUBYRIYDEEOG-CABCVRRESA-N 401.529 1.872 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N[C@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174783178 YVOUSLLLFMFUOE-PMPSAXMXSA-N 400.545 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174790192 ZTLPZYGEIAXVCL-YOEHRIQHSA-N 404.508 1.796 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@@H](C1CC1)C(F)(F)C(=O)O)C(F)(F)F 2180581281 NGOUJFSUPQUCJP-CDUCUWFYSA-N 400.222 1.601 30 10 HDEE CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](CC#N)C(F)(F)F 2181056046 PBZFZGUDPAFSFK-GHMZBOCLSA-N 415.434 1.617 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@H]1CNc1cc(Br)cnc1C#N 2218615816 MNPDGILXCOZQLE-RDBSUJKOSA-N 413.272 1.469 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNOCc2ccccc2)n1 2243389400 SYSHDVCINBTHPG-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE CC[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247856408 JDEQMUNLDPLIDB-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)(C(N)=O)C1 2247909073 FALGHZRKHDAALH-UHFFFAOYSA-N 423.319 1.594 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055039 JZDYCRHILLXVDM-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE N#C[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158115 ICXSMBZMNIISGM-OWCLPIDISA-N 409.464 1.368 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCC1(C)OCCO1 2267412961 UMHGUQNGWKKDOV-UHFFFAOYSA-N 411.329 1.726 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CN1 2282330533 AQCCNQDUDWMSMV-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CCC(CO)CC2)OC1(C)C 2282340558 HLUHEHYLFXTEDG-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2282492148 PTMDDNUQJYONKK-RUZDIDTESA-N 419.399 1.579 30 10 HDEE C=C(CS(=O)(=O)N[C@]12CCC[C@@H]1CS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282493517 UJUZFJMJXWXYDH-CJNGLKHVSA-N 405.347 1.061 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCOC[C@@H]2F)OC1(C)C 2282501503 XXRPBIYJMZDRAD-QWHCGFSZSA-N 405.322 1.594 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@](C)(N)C2)OC1(C)C 2282505220 ALJGZIISSCXURF-INIZCTEOSA-N 401.363 1.085 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CNCCSC2)OC1(C)C 2282509888 QWISBEGCFHMTPD-CYBMUJFWSA-N 418.415 1.172 30 10 HDEE C[C@@H](O)CN(C[C@@H](C)O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282627390 HUFGWJBNCILZBR-GHMZBOCLSA-N 403.737 1.905 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](CCO)C1 2282835570 WSLQZNOGOKKIPG-CYBMUJFWSA-N 401.359 1.749 30 10 HDEE CCN([C@H](C)COC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835785 BJLQBOVZEPAZIF-GFCCVEGCSA-N 404.363 1.629 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](CO)C(F)(F)F)OC1(C)C 2282881306 WAQDCEXEZFSXBD-SECBINFHSA-N 415.264 1.496 30 10 HDEE CCN(C[C@@H](C)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393503 LSJIGYKJNRTFQA-LLVKDONJSA-N 403.331 1.779 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)CC1(C)COC1 2287106454 JBOBSORTQOASLX-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2290361635 LJJYLRXCRFQFHP-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2337342222 CUJLPBUHIWKKHL-UHFFFAOYSA-N 406.313 1.812 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@@H]3CC(=O)O)s2)OC1(C)C 2360944426 RVKYPSHYGHLIEA-MNOVXSKESA-N 401.315 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCCCCS(N)(=O)=O 2364191113 BLWMFQFOTQEKAC-CQSZACIVSA-N 404.533 1.539 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N=[S@@](C)(=O)N2CCNCC2)OC1(C)C 2364845834 DGGUQJABCDCLIR-AREMUKBSSA-N 400.741 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365240418 FLAWPBVDARMFLL-UONOGXRCSA-N 403.497 1.540 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2367783045 DCZJOPWMVHKUBI-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C 2367794136 YQPGPUPTZMYOLH-BZUAXINKSA-N 400.541 1.570 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NC3CC3)n[nH]2)cc(OC)c1OC 20909541 XSEMXTMTRGWWIZ-QGMBQPNBSA-N 406.468 1.647 30 10 HDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 44360563 CCJMBHICZSHQLL-PHODEOQFSA-N 410.477 1.648 30 10 HDEE N#CCCn1cc(C(=O)CN2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc21 302812032 NGVIUFYDJOTAFN-UHFFFAOYSA-N 423.517 1.214 30 10 HDEE C=C[C@@H](C(=O)O)n1cnc(I)c1I 306296389 LJBXZGZDDMWGIH-BYPYZUCNSA-N 403.945 1.904 30 10 HDEE C[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)n1cnc(C#N)n1 409751556 PXDYXYZBZDFLCO-RISCZKNCSA-N 404.377 1.624 30 10 HDEE C=CC[C@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 410069681 GGUGCLZPMWIBFC-DYESRHJHSA-N 407.470 1.553 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 410213886 IDRYXQQTJUSOEZ-APWZRJJASA-N 420.535 1.829 30 10 HDEE CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)s1 427929208 ZFYQSDHLVRTCKK-UHFFFAOYSA-N 413.507 1.996 30 10 HDEE COCCN(C(=O)c1ccc(F)c(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 431022317 CODLWCJVEJBSAR-UHFFFAOYSA-N 403.414 1.491 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC(=O)NCCN1CCCCCC1 432428106 ICVQTNSKAODHNK-UHFFFAOYSA-N 415.538 1.708 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3F)c2C)CC1 435540565 SDRLWEBIWQTNHV-UHFFFAOYSA-N 400.458 1.772 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C#N 440374188 AGMFTYRHNOBLTR-UHFFFAOYSA-N 416.462 1.477 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)CC2)c1C#N 471682649 KTKDFHGWNMGDHS-LJQANCHMSA-N 422.489 1.680 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ccn1 474210903 LCALQSMHCVAKCB-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE N#CCCN(CCN1CCOCC1)CC(=O)N1CCC(OCc2ccccc2)CC1 478003827 QQIJCPYRFONXHM-UHFFFAOYSA-N 414.550 1.742 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)c1ccccc1 481274078 BVWSDKDOIJRRQM-OAHLLOKOSA-N 414.487 1.161 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C#N)c1 481658748 MMWQKQZKSCWTSQ-ZDUSSCGKSA-N 417.443 1.416 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)c2c(F)cccc2F)CC1 494614430 IHRIMHPJZPMQGZ-UHFFFAOYSA-N 414.416 1.493 30 10 HDEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505009331 RCIXOSWMEOYFFI-HNNXBMFYSA-N 420.535 1.995 30 10 HDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 508841097 OSNHTJSKVIRCQR-UHFFFAOYSA-N 400.508 1.704 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cccc(O)c4)CC3)cc2C1=O 513239895 FOVMGKSCEXQCNN-UHFFFAOYSA-N 419.437 1.772 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)Nc1cccc(OCC(F)(F)F)c1 525847312 ZYJUDHJGHVRCHR-UHFFFAOYSA-N 424.383 1.834 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)cc2C1=O 537713891 UHZPVFWDEJZJBI-KRWDZBQOSA-N 418.409 1.471 30 10 HDEE CCc1nn(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 539133089 XQIXBMAXLFPNTH-UHFFFAOYSA-N 402.480 1.393 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 553149735 JEWMYAUFPBMTTF-UHFFFAOYSA-N 407.883 1.830 30 10 HDEE CCn1c(Cn2cc(C#N)cn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 555462921 SCQVBXXRQSEVJL-UHFFFAOYSA-N 400.464 1.194 30 10 HDEE C=C[C@@](C)(O)CC(=O)NCc1ccccc1N1CCN(C(=O)C[C@@](C)(O)C=C)CC1 564473429 JZKSHRCBYSDPIU-PKTZIBPZSA-N 415.534 1.606 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 568918345 BXBOWYDLTPEUMO-QAPCUYQASA-N 413.544 1.192 30 10 HDEE COc1cc(C[C@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)C(=O)O)cc(OC)c1 579545769 RNOYWWYQTDXRFC-KRWDZBQOSA-N 405.432 1.253 30 10 HDEE N#Cc1nccnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@H]2CCCC[C@@H]2O)n1 585608755 HPYFYEIZJRTPKE-SZMVWBNQSA-N 409.494 1.852 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)CCC(=O)N(CCC#N)c1ccccc1 610623728 CPGGTUCKHFDULJ-UHFFFAOYSA-N 406.508 1.207 30 10 HDEE Cc1nc(CN2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)n[nH]1 611431321 PARGUKVRAGGRLN-UHFFFAOYSA-N 401.902 1.831 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](c3ccc(Cl)cc3)C2)c1=O 732187061 GFSSRYLYXPAJPP-MRXNPFEDSA-N 402.882 1.644 30 10 HDEE Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732428941 AQYIRWGJBBKKCK-VHEBQXMUSA-N 411.462 1.879 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 734293453 WGOVHYGNZCYTCI-UHFFFAOYSA-N 423.472 1.363 30 10 HDEE CC(C)CNC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 741432296 PBULALDHTQOSJF-MRXNPFEDSA-N 406.508 1.582 30 10 HDEE O=Cc1ccc(OCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)c1 742663105 HJZHAVWSGUDFKO-MSUUIHNZSA-N 422.235 1.283 30 10 HDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N 747615114 YXJWJSUXKNMZPJ-UHFFFAOYSA-N 401.444 1.364 30 10 HDEE CCc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 759354098 GXVISWHSEFRYDN-UHFFFAOYSA-N 406.485 1.951 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cccc(C)c2)C1 760301616 NHSFCAVOKANZNG-HOTGVXAUSA-N 417.535 1.866 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 763885986 WRJTUUBDWVLHCT-UHFFFAOYSA-N 420.516 1.902 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)CC(C)(C)S(C)(=O)=O 764447048 UTYSNVLYTNCUIR-UHFFFAOYSA-N 412.556 1.707 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC[C@H](O)C(F)(F)F)cc1 768971496 ZWHCTQMFCWMKRO-QIHSLCJDSA-N 422.429 1.934 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@]2(C1)OCc1ccccc12)c1cc[nH]n1 772586713 CSVNMYPJPSXHGD-NRFANRHFSA-N 412.446 1.742 30 10 HDEE C#CCN(C(=O)Nc1cccc(NC(=O)OCCOC)c1)[C@@H]1CCS(=O)(=O)C1 774040849 WPMVIHKAMTWGBC-MRXNPFEDSA-N 409.464 1.536 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1 780215463 SDGWJLZMPRYATK-OAQYLSRUSA-N 404.426 1.679 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)cc1 784314491 XAWIMLFJUBORCI-UHFFFAOYSA-N 400.456 1.998 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](CN2CCCC2=O)c2ccccc2)cc1C#N 787734240 ANOZZTFWYLMMQO-LJQANCHMSA-N 420.469 1.663 30 10 HDEE C=CC[C@@]1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCCN1C(=O)OC(C)(C)C 790675746 DJGSCPJOMBRRAS-IBGZPJMESA-N 406.487 1.651 30 10 HDEE COC(=O)[C@H](OC(=O)c1cnn2c1C[C@@H](CNC(C)=O)CC2)c1ccc(C#N)cc1 797249124 HBZDKSHHSTZTJV-HNAYVOBHSA-N 410.430 1.524 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cc1C#N 799793479 OXYIBIWWGFQKSU-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3COCCO3)n2CCc2ccccc2)CCN1C1CC1 802299936 NRFHGNGVQLKKLT-VQTJNVASSA-N 408.506 1.785 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809886553 IGZLACCHJYMRHQ-UWJYYQICSA-N 416.547 1.897 30 10 HDEE N#Cc1ncccc1COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 813166703 GVWIFVYMJCWBSD-KWEPMOPPSA-N 404.426 1.800 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)c1 813983043 FTDJIBYEHWHFAG-UAGQMJEPSA-N 412.475 1.386 30 10 HDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 814249871 ZLGZFGSQNFKPPI-QGZVFWFLSA-N 417.494 1.516 30 10 HDEE COC(=O)c1ccc(NN=C(C)c2ccc(S(=O)(=O)CC(N)=O)cc2)c(OC)c1 814888187 ZFSIHUBRSLZUKQ-UHFFFAOYSA-N 419.459 1.577 30 10 HDEE Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCN(O)C2=O)ccc1F 820175377 XTFSHDDLNMLZGR-INIZCTEOSA-N 407.423 1.655 30 10 HDEE CC(C)(C)c1ncc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)s1 920394563 PXWQDMIWWNZNPS-CYBMUJFWSA-N 400.529 1.869 30 10 HDEE Cc1oc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N1CCCC1 1134526408 VDATVKJAAVMZEY-UHFFFAOYSA-N 408.476 1.850 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1136678436 XQOZSISDCBCZHW-JXMNSVBMSA-N 401.482 2.000 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)OC 1141995714 XHJVVFDKXWGLEA-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 1142972047 KBKBZERVXQXGDR-NSHDSACASA-N 423.397 1.863 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1160328026 GWSZPNVZIQZXDJ-INIZCTEOSA-N 403.483 1.437 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)s1 1161536962 ZUEYZXQSHKXBGJ-ZFWWWQNUSA-N 424.548 1.525 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1161610253 WELYIOPKGQBHKL-CYBMUJFWSA-N 403.298 1.008 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC(F)(C(F)(F)F)C(F)(F)F 1161674160 SMOHBEZTHRXJPI-UHFFFAOYSA-N 411.318 1.745 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1163097576 ZSOQXFHVOMZAID-MKXGPGLRSA-N 402.516 1.587 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 1163271774 KQLYUOBPEAVSFF-USXIJHARSA-N 419.503 1.336 30 10 HDEE COc1ccc(N(C)CCN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1164598021 YAFOTJRPVIUUMO-UHFFFAOYSA-N 416.503 1.329 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@H](C)COC 1166477026 JPWNLZAOYJATHJ-SNVBAGLBSA-N 411.343 1.838 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 1178206991 DVKYEXRIQIXSDG-UHFFFAOYSA-N 409.939 1.952 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](Nc3ncccn3)C2)CC1 1198479370 QBXUYONGEBFHSZ-SJORKVTESA-N 411.535 1.433 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)CC1 1203600050 FXLXLFHIKLVMIJ-UHFFFAOYSA-N 423.535 1.865 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)C1CCOCC1 1213181852 SHAHLEYCTOAHPO-GOSISDBHSA-N 414.549 1.328 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CN(C(C)=O)C[C@@H]3C2)cc1 1214686600 BOVSRNHIGAHIPK-IYBDPMFKSA-N 406.508 1.435 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227631497 GUISCZBFTYCHIX-MSOLQXFVSA-N 412.494 1.104 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)C1 1233852475 LERKTAGJCGPINY-CJXDPKRBSA-N 421.498 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1286272845 DUJZJSPZFYXAFH-WMLDXEAASA-N 417.897 1.735 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1286289188 XIZRSRVDCIDDBB-OAHLLOKOSA-N 420.564 1.177 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCCS1(=O)=O 1286366740 ALDPGRSPGFYUTE-UHFFFAOYSA-N 411.890 1.843 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286593415 MMVIVENEGAAQGE-GTPINHCMSA-N 409.556 1.640 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286607802 VJPYWHRKZPHYEE-SFHVURJKSA-N 413.526 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1286810474 RRQCXQOPKHFODA-HOCLYGCPSA-N 417.491 1.474 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1291306776 GMBYDPUQECZPIO-HOTGVXAUSA-N 400.458 1.534 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)Nc2ccccn2)s1 1292439743 JLWWHAFVUMYTFX-UHFFFAOYSA-N 408.505 1.295 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1295057311 ADXHVLRFVVLADI-LBPRGKRZSA-N 422.287 1.243 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2[C@@H](O)C(F)(F)F)s1 1295344837 VOYZJVJGMCCFRY-BXUZGUMPSA-N 412.455 1.669 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1300329256 OXHQFOLAHDFHBT-GJZGRUSLSA-N 404.515 1.944 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1300468010 PYIKDVVSLAIEDO-SFHVURJKSA-N 407.522 1.554 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H](C)C1 1300519879 CNCZYNBMGZHBBK-MSOLQXFVSA-N 416.489 1.809 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1300612090 UATDODMEHZAKNW-UHFFFAOYSA-N 418.479 1.414 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(C)ccc2OC)CC1 1300680972 IDMBFJFHULFRKA-UHFFFAOYSA-N 424.549 1.731 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)nc2)CC1 1300705565 ADFOTVGBHYQQFX-UHFFFAOYSA-N 420.521 1.347 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCCCS(C)(=O)=O)CC1 1300710491 CZKWUENSCUTUEW-QGZVFWFLSA-N 409.556 1.100 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1300889464 QMZHVZMFNGDVSC-NSHGMRRFSA-N 405.543 1.799 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300950882 QOJIHKNFMHRCSJ-GJZGRUSLSA-N 400.487 1.280 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300991721 PTWKWIUNXYXHKB-UHFFFAOYSA-N 411.510 1.569 30 10 HDEE C#C[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 1301131970 HEOIWIVUARFQEX-QGZVFWFLSA-N 422.503 1.061 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1301358834 DYZOEEYRLFTARR-ROUUACIJSA-N 424.505 1.583 30 10 HDEE C=CCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301473982 POUUHQFFBIHDGM-WIYYLYMNSA-N 405.543 1.665 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCOC2(CCCCC2)C1 1301509287 FQFLPTUPSBFTRN-UHFFFAOYSA-N 416.526 1.242 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1301596324 LOTZQTVRWGKJJU-KRWDZBQOSA-N 420.583 1.738 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1302969115 CQDQOFGQOKTSAQ-GOSISDBHSA-N 417.535 1.820 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1304491430 YZSJVOGTSARJFT-LJQANCHMSA-N 406.508 1.849 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1306193310 FTFPRCBIQPGFRV-IAGOWNOFSA-N 412.542 1.632 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(CC#N)C2)c1 1306651905 MZBKKKHAZPJOKK-CQSZACIVSA-N 412.537 1.068 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)C1 1310367526 KGDPWPJLIZFGAX-YJBOKZPZSA-N 400.479 1.587 30 10 HDEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1314614357 LUWGSMBFRZGHMN-KRWDZBQOSA-N 414.535 1.911 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316538149 HPBYBZBMULYCRZ-QRVBRYPASA-N 418.542 1.485 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1352020423 ILZZHTQXWYYFQU-ZDUSSCGKSA-N 417.512 1.589 30 10 HDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1358906994 ZWANQUSMCLCNTB-KRWDZBQOSA-N 412.450 1.608 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1358959421 INDNOVKUNYJIMK-SFHVURJKSA-N 410.503 1.538 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359177236 GAIGMVCZVNORHP-INIZCTEOSA-N 404.540 1.906 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1359226361 DNBVPECJPXJNRU-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1359330453 RZUQYEPKAWHBGD-HOTGVXAUSA-N 423.539 1.125 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 1438551495 SFBCSJFWNKEHII-QHCPKHFHSA-N 421.453 1.495 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCO1 1439729133 DURVSJIXRFMETC-MRXNPFEDSA-N 409.483 1.186 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 1449225345 RJUIRMGNARSZLR-RAJOGRCSSA-N 404.467 1.516 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(Cc2ccccc2)CCOCC1)c1cc[nH]n1 1449561641 CJYGUIZIFPZDKL-UHFFFAOYSA-N 414.462 1.602 30 10 HDEE CC(C)(C)OC(=O)C1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCOCC1 1452160010 IYQMQUDCPZYSMV-MSUUIHNZSA-N 407.467 1.158 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCCN(S(=O)(=O)c4ccccc4)CC3)nc12 1459347927 GIXJFQKXSCGPSX-UHFFFAOYSA-N 412.475 1.203 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)O1 1461211471 CQXMJNFMCXTHJF-OAGGEKHMSA-N 408.524 1.106 30 10 HDEE CC(=O)NC1(c2noc(CCC(=O)N3CCO[C@](C)(C#N)C3)n2)CCCCCC1 1463096947 VTFJCTPOIIQMAF-LJQANCHMSA-N 403.483 1.829 30 10 HDEE COc1cc(Br)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 1464928909 ZFFSCDDDZABLAT-ICFOKQHNSA-N 424.251 1.723 30 10 HDEE N#Cc1c(F)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1F 1466626244 CFXIUEUZELYIDD-UHFFFAOYSA-N 423.397 1.815 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1468477746 IOGPGMDTECFDIX-KRWDZBQOSA-N 406.504 1.688 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1469730127 SKNWETMSBVQHFD-PMPSAXMXSA-N 407.515 1.692 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)OCC)c1 1469812282 NMZWLOIASPMGHI-KRWDZBQOSA-N 422.503 1.219 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1470253424 LQYXZZOSECCYHS-FQEVSTJZSA-N 400.523 1.294 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1Cc1c(I)cnn1C 1473278825 MZBCVTSXONGIIH-NSHDSACASA-N 423.262 1.397 30 10 HDEE C=CCCCS(=O)(=O)N1CCC(n2nncc2I)CC1 1475496941 GHICBHNVDNBTRZ-UHFFFAOYSA-N 410.281 1.816 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)n1 1492745148 IBBPUXPWMAUJBI-RBUKOAKNSA-N 413.526 1.810 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)s1 1492766553 PMFOGJXIVZNRMP-CQSZACIVSA-N 400.512 1.762 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(=O)(=O)CC)cc1 1497911986 CYWKRKONFWMGHO-IBGZPJMESA-N 420.514 1.889 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1504505373 UIAPUEOZWOEWHN-ANTVTUJRSA-N 416.526 1.963 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NC(C)C)c1 1507551567 YAXPXMWIEDHJJH-QGZVFWFLSA-N 424.505 1.363 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1507593621 RWCTUZPNCLSIGR-UHFFFAOYSA-N 413.551 1.593 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1507624571 BOHDEVIKQWEHGE-YLJYHZDGSA-N 424.567 1.747 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507675758 FNYPLVGWAPZWBI-HDICACEKSA-N 416.570 1.861 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC1(OCCOC)CCOCC1 1507688002 XPFHEDIPLPURJK-UHFFFAOYSA-N 400.483 1.407 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)COC)CC1 1507734535 YTZWHIFVEPNMPV-UHFFFAOYSA-N 418.542 1.055 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1507806375 NDQKSHCCMYQEAF-NSHGMRRFSA-N 411.510 1.850 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1507835365 XPBGRTHRGIMNMF-QAPCUYQASA-N 413.544 1.024 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507906535 LGGBTDLVMUBQNK-ZZEZOPTASA-N 422.493 1.607 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1)C1CC1 1507987566 GKNKSMGNUDSFSL-AWEZNQCLSA-N 424.571 1.302 30 10 HDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1CC1 1507988826 SKYFPPHRTCGCDG-UHFFFAOYSA-N 400.508 1.911 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)C1 1508110072 XMLYKBYDDMJYIU-OXQOHEQNSA-N 422.599 1.635 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC#N 1508794201 LTVBXPNGGHJLTE-OAHLLOKOSA-N 412.498 1.826 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2OCC[C@H]2C)CCOC1 1509816616 NFLIBYFMDJTUJW-YZLZLFLDSA-N 405.499 1.472 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1519401182 IARSBVMACLEESF-UHFFFAOYSA-N 414.466 1.368 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc(OC)c1OC 1521584145 RGGLZCFZGBVCLE-ZACQAIPSSA-N 419.478 1.273 30 10 HDEE C[C@@H](NC(=O)COc1cccc(Br)c1C#N)C1(S(C)(=O)=O)CC1 1525728816 PEQIGDCPZPMOOP-SNVBAGLBSA-N 401.282 1.781 30 10 HDEE C[C@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)N1C(=O)NC2(CCCC2)C1=O 1529258026 CNUVAOPWKHEXCX-OAHLLOKOSA-N 410.474 1.933 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nnn(C)n1 1539399262 ITZBSQKYOPFJAI-UHFFFAOYSA-N 418.408 1.204 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1539512441 CKTQFFWAYYAWGF-UHFFFAOYSA-N 416.595 1.656 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539722431 NMKDWABQQYJHPN-FQEVSTJZSA-N 418.498 1.138 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc2c(c1)OCO2 1540048208 RSLOJBMEEMOJQN-CYBMUJFWSA-N 423.495 1.318 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@@H](C)C1 1541118520 BZXMAYJDZGKEBC-MSOLQXFVSA-N 417.558 1.497 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1544670354 HSUIIJCWKIINLX-UHFFFAOYSA-N 413.430 1.815 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)C1=O 1545604639 WBKOCXIPBNZVAO-CYBMUJFWSA-N 410.471 1.163 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1545928706 HWFIYGLMJPRMEA-FUHWJXTLSA-N 417.558 1.657 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1546476069 SVSGXXMYTLVAIK-CJNGLKHVSA-N 404.412 1.936 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cc(Cl)cc(Br)c2O)c(=O)nc1O 1547440491 QNCPHIHQAOWCLK-UHFFFAOYSA-N 413.615 1.971 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1557082708 WLBZEHDXNGMRLO-DLBZAZTESA-N 402.344 1.821 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1558047061 GCPVTHVNWXZVKR-QGZVFWFLSA-N 410.474 1.540 30 10 HDEE C[C@@H](O)c1cn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558633783 JTWSPSNVRIOGHR-PRJMDXOYSA-N 422.276 1.961 30 10 HDEE C#CCN1CCC(C(=O)N2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1558634242 YHMINAAVURFJKZ-UHFFFAOYSA-N 405.539 1.959 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CN(C(=O)OCC)C[C@@H]3CO)n[nH]2)c1C 1558734107 JLNVWUBRNSAYTJ-PBHICJAKSA-N 416.482 1.255 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1559032669 DWHULPITTVUTBQ-UHFFFAOYSA-N 423.472 1.174 30 10 HDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)n1 1559050149 NLDCXRMHNJYOHX-UHFFFAOYSA-N 402.436 1.330 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1561733865 BPYFHSDXMLPIAJ-UHFFFAOYSA-N 415.581 1.600 30 10 HDEE C#C[C@H](NC(=O)NC[C@@]12COCCN1C(=O)COC2)c1ccc(Br)cc1 1565000198 UKRGUQSTLBZSDZ-YJBOKZPZSA-N 422.279 1.050 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3cnc(Br)cn3)CC2)c1 1565174924 URYLIGAHMVQBGI-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE C[C@@H]1O[C@H](C)[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1C 1565205549 AVBZXJDMOSNOMU-FSZRXZPDSA-N 406.508 1.386 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C(=O)OC)c1ccc(C)cc1)c1cc[nH]n1 1565666642 YPXNQXNTNZWMOW-HNNXBMFYSA-N 416.434 1.075 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1568075924 BVVYITBLVCXTTH-XUZZJYLKSA-N 409.530 1.513 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cn3ncnc23)n1 1568521746 JBILWQKQAQHJKZ-UHFFFAOYSA-N 417.267 1.610 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)nc2)C1 1584182778 SDSUGOKKWIHHPG-HNNXBMFYSA-N 408.480 1.107 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)c1OC 1584308204 HYYKQXRTCOVNQK-CQSZACIVSA-N 404.467 1.194 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C(C)C)c1 1587526656 SUFYLYHBEBFVBH-QGZVFWFLSA-N 408.545 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1587579222 DSSNDGFLHSJSBB-HNNXBMFYSA-N 419.551 1.814 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1587632360 KWEHDRTYXJUEFP-MVLYANGWSA-N 417.554 1.510 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1587765361 FNEHMVAMYLGWPE-MRXNPFEDSA-N 407.540 1.089 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C1CCOCC1 1587810807 VBWSXVHPYBRQQT-GSSTWSARSA-N 409.486 1.334 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C(=O)OC)c1ccccc1)c1cc[nH]n1 1587839923 RHUOLGNJGIJKKN-KRWDZBQOSA-N 402.407 1.066 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)c2ccccc2)CC1 1588800648 LYAOMUXRDIAMOJ-HSZRJFAPSA-N 404.518 1.947 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)[C@H]1CC 1589007680 OMNJLQKIYTVLBX-MRXNPFEDSA-N 414.491 1.935 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1589008544 WDEMVCRRWRYRRO-UHFFFAOYSA-N 424.530 1.478 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CC2)CC1 1593691527 XWBPKQHSVKDZBF-UHFFFAOYSA-N 402.543 1.639 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCOC)CC1 1594182264 WFNPBRBIHBQJHB-UHFFFAOYSA-N 400.483 1.991 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594437783 NMKCQDGFINJEKO-MRXNPFEDSA-N 410.540 1.472 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1594753806 GCDQJEYODRVUOO-LAUBAEHRSA-N 415.494 1.362 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(C)n(C)c1=O 1595302581 BAJOZKOZWCMZPD-UHFFFAOYSA-N 408.506 1.958 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1596414560 KOHTZBHYAXBSFB-UHFFFAOYSA-N 404.442 1.099 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(=O)NCC23COC3)s1 1596439469 HPTSMNHNHUHAKC-UHFFFAOYSA-N 401.941 1.956 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1597204584 YYTGCKXVUBAWSR-CABCVRRESA-N 416.544 1.361 30 10 HDEE COCCn1cc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c(=O)cc1C 1598245061 JXFSGFWGDLKVEW-INIZCTEOSA-N 415.446 1.824 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CCC(=O)OC(C)(C)C)cc1 1603646155 JAWJEPUXXALNPU-UHFFFAOYSA-N 424.519 1.419 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1614223260 QLVPAZRZTUFXMX-IRXDYDNUSA-N 423.477 1.420 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(OC)cc4)n3)CO[C@H]12 1616134012 YPGPGKDEEJVWMQ-WJFTUGDTSA-N 411.462 1.584 30 10 HDEE N#Cc1cccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@@H]32)c1 1616175289 SSKQLJOSPMSUGJ-LJDSDSDDSA-N 422.510 1.048 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1CC1 1617781812 MDUVADIDRWVLSV-UHFFFAOYSA-N 404.496 1.267 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCOCC1 1618331139 RAAGXCSPJBZJNG-OXQOHEQNSA-N 421.856 1.791 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c(C)nn2cc(Br)cnc12 1622158881 RSEVWAHPDHYEMT-NEPJUHHUSA-N 401.286 1.812 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1624550839 HJDATYHMEKLYCT-CVEARBPZSA-N 400.522 1.296 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)NO)cc1 1626238684 FTXAIQZPLAYBJZ-GOSISDBHSA-N 415.446 1.753 30 10 HDEE C#CCN(CC(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1)C(=O)OC(C)(C)C 1627702391 JBEFONBQRBCQKA-UHFFFAOYSA-N 418.498 1.490 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1629069425 UENANMATZPTCBE-SJORKVTESA-N 415.494 1.532 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCN(C(N)=O)C3)CC2=O)cc1Cl 1629116536 AAQKDTZGPZGYOW-TZMCWYRMSA-N 403.870 1.471 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cn1C 1629901086 PVMAOAYNCAOVGH-UHFFFAOYSA-N 412.475 1.228 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1629950611 DHDTWFUMOXTNLU-IBGZPJMESA-N 407.492 1.448 30 10 HDEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1634011371 FRWUQGBVQPQDBK-UHFFFAOYSA-N 405.564 1.820 30 10 HDEE C#CCN1CCCN(C(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 1634016098 PEDRTCWFKONATK-UHFFFAOYSA-N 415.538 1.855 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(C(F)(F)F)n1 1635380052 BLKLXOYQBOORNW-UHFFFAOYSA-N 417.369 1.224 30 10 HDEE C#CC[C@@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)CCCN1C(=O)OC(C)(C)C 1637105496 TWQRJNVQGYODIK-IBGZPJMESA-N 423.491 1.771 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1638790932 NZFGKJXWQIIDOU-CYBMUJFWSA-N 414.487 1.526 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1639319823 ZJMDLUMOMFBDCN-NVXWUHKLSA-N 411.462 1.184 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1640219570 VQYOJGHLFUHJGW-IBGZPJMESA-N 412.515 1.746 30 10 HDEE C#CCN1CCC(C(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)CC1 1640729875 DOEKBQINRZKFND-UHFFFAOYSA-N 403.548 1.787 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N[C@@H]2CCN(O)C2=O)cc1 1641379154 PNOHWAHUMSHCPK-CQSZACIVSA-N 409.464 1.031 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H](CCN2C)C1 1643789028 AOFAJPPKMDMJPB-BPQIPLTHSA-N 418.563 1.692 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@@H]2Cc2ccccc2)cc1 1644443963 VHCMSDHAGMEXKR-FQEVSTJZSA-N 411.527 1.597 30 10 HDEE C=CCN1CC[C@@H](N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1647784820 VHZVXWQTTSLIJE-ZWKOTPCHSA-N 422.570 1.953 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC[C@H](O)COc2ccccc2C#N)C1 1648332702 CIMCEIMVRVUTSB-LAUBAEHRSA-N 405.495 1.650 30 10 HDEE C=CCN1CC[C@@H](N2C(=O)N[C@H](c3cc(Br)ccc3OC)C2=O)C1=O 1651831637 QPKHOMBGOILKIZ-TZMCWYRMSA-N 408.252 1.838 30 10 HDEE CCOC(=O)C1=C(Cn2cnc(C#N)cc2=O)NC(=O)N[C@H]1c1ccc(Cl)cc1 1652918607 BWSQRNFAWKYFRB-KRWDZBQOSA-N 413.821 1.640 30 10 HDEE C#CCN1CCN(C(=O)CN(C[C@@H](O)COc2ccccc2SC)C(C)C)CC1 1653888507 SKRXDKTWFGGYKR-LJQANCHMSA-N 419.591 1.636 30 10 HDEE C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1654508183 CYAOLNQYZFRWLR-JXXFODFXSA-N 407.536 1.815 30 10 HDEE Cn1c(=O)[nH]c(Nc2cccc(N(CC(N)=O)Cc3ccccc3)c2)c(C#N)c1=O 1655111502 CJYFJFJNMLSBOC-UHFFFAOYSA-N 404.430 1.181 30 10 HDEE CN1CCCC[C@@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1=O 1655262526 RWELLTSIELIPJQ-SJORKVTESA-N 403.552 1.400 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(Cl)ccc2Cl)CC1 1681596507 HSYIUFBMLWSLQH-GFCCVEGCSA-N 419.334 1.849 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689843210 QZQHTYRLBSBDDG-FUHWJXTLSA-N 406.490 1.770 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(SC)CCOCC1 1690003577 RBBLEYSIOSYJSD-NRFANRHFSA-N 418.563 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCn1c(O)nc2ccccc21 1690042755 AZLYSIDHXLWIAZ-UHFFFAOYSA-N 412.457 1.954 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sccc1C 1690104101 MLYICUBGFYTFHE-MRXNPFEDSA-N 422.576 1.879 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1 1690104118 MZLBTLQYFKAJQX-QGZVFWFLSA-N 418.519 1.323 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1690244383 WZAKVAFUOLQJHF-NVXWUHKLSA-N 420.539 1.307 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1690320622 YKBJPFJVJHOERG-UHFFFAOYSA-N 418.542 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690663281 RHTCEKMHCDWJOS-NRFANRHFSA-N 410.478 1.115 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](OC)C1 1690676072 OYQQEDVMYQQBFZ-QGZVFWFLSA-N 401.467 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1690731169 BSLBPZJTKJJSJD-BRWVUGGUSA-N 409.556 1.403 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705520204 LNXSSDDFEKSEPM-HNNXBMFYSA-N 414.535 1.740 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(OC)c1 1705550961 CKUNQSYMZRWGSK-CVEARBPZSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1705560920 OKFTUYMKYAJHOW-OXQOHEQNSA-N 419.551 1.039 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1705612900 SADPFYKCTFNASI-DLUDVSRJSA-N 400.570 1.187 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCN1CC 1705630258 LXXYUUQWLJNPLQ-SFHVURJKSA-N 402.543 1.361 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCOC)CC1 1705643486 HSNXJIWZMUAILT-KRWDZBQOSA-N 418.542 1.752 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC=CCO2)CC1 1705648288 VGXVCRAPXFJHNI-KRWDZBQOSA-N 407.478 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(C)coc2C)CC1 1705648900 CMKFJSLCAXPBKZ-UHFFFAOYSA-N 421.505 1.903 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](COC)OC 1705669851 YYNBGVYXWHXLKH-WMQCIHAUSA-N 406.527 1.972 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1 1705711034 XSPUZERRHZXLKA-LBPRGKRZSA-N 413.573 1.693 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)CC1 1705769249 MYAFIAKIIMSONQ-MRXNPFEDSA-N 403.508 1.789 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)CC1 1705783394 FZDBKKNPYYCIRZ-UHFFFAOYSA-N 406.494 1.819 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](SC)C1 1705894009 KRLVSKUIDMRZAU-OAHLLOKOSA-N 406.556 1.538 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cccn2)C1 1705915789 WLCRSGSZEMKLIC-QGZVFWFLSA-N 422.493 1.994 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705930201 HUQUCHDWPJCADC-UHFFFAOYSA-N 410.569 1.587 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1710908903 CGICUASHFPCBMQ-WRONEBCDSA-N 415.519 1.581 30 10 HDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1712456441 FNYKTBFDMSVRNR-NRFANRHFSA-N 415.494 1.721 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccccn3)n1CCCCCO)C2 1712878224 ARUUNUYWRDNNSJ-UHFFFAOYSA-N 419.489 1.961 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722327398 PGJFHKWMGNCMCQ-UHFFFAOYSA-N 422.942 1.879 30 10 HDEE C#CCCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1722340765 HTHHLPHXLBDIDE-PGRDOPGGSA-N 415.538 1.935 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1722373282 LHDDVJKQFYENPD-QGZVFWFLSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1722393513 DMLMLMZIUUGKFQ-HSZRJFAPSA-N 418.501 1.816 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1722428120 CHZMQZDXVRXXRU-MRXNPFEDSA-N 410.540 1.225 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1722638650 ISVNUGLGEJYEHI-UHFFFAOYSA-N 402.499 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)[C@H]1CC 1722695839 RJGCLQRXLDFYCA-CYBMUJFWSA-N 403.874 1.011 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722725276 HYBXPFAGOKVLTA-SJORKVTESA-N 418.567 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722727951 QLKBIPARJNMEBE-CVEARBPZSA-N 419.555 1.255 30 10 HDEE COC[C@@H](F)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730480653 NJQRWQRRVKPPQO-CABCVRRESA-N 402.478 1.763 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)CC1 1731186032 JXZGZDJHYJSCNY-UHFFFAOYSA-N 405.462 1.913 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1740624951 LMAMNJPCPBRNNC-DLBZAZTESA-N 416.551 1.550 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1740669304 VAXGOKAGZJLQAP-UHFFFAOYSA-N 407.478 1.223 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)F 1740673879 LCJJWFHTYOZFNS-UHFFFAOYSA-N 410.450 1.110 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1740684153 XKPRRXQPPARZOW-QHCPKHFHSA-N 422.533 1.589 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1740686964 ZCVHXJZZYBYIME-WOJBJXKFSA-N 419.570 1.615 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 1740702108 ILNWAFLOIYZCAQ-OAHLLOKOSA-N 409.481 1.966 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1740718339 MLQZQGRBKFXUIA-SFHVURJKSA-N 407.584 1.695 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)CCCC 1740725073 LRMUQTWICBHRQZ-QFBILLFUSA-N 410.588 1.612 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1740875435 CUOBRQAXRKLSDD-HUUCEWRRSA-N 405.528 1.616 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740948583 PSTPVGUJZHAAEM-CYBMUJFWSA-N 415.479 1.725 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CC(N)=O)C1 1740956067 KYHCXTMMAKZZLD-CQSZACIVSA-N 400.458 1.478 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(c3cnn(C)c3)C(=O)C2)cc1 1740965889 FZWVWTMCRGYOGI-UHFFFAOYSA-N 407.478 1.786 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CC)C1 1740975164 MQNBRLUGDLKCKL-RXVVDRJESA-N 424.509 1.863 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1743265976 SKOCKAYFSOAYSV-PLGXQAJASA-N 423.477 1.480 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOc2ncccc2F)CC1=O 1748061608 CHAIGFGGFXNAGA-UHFFFAOYSA-N 421.436 1.708 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1748770699 DLNHUNVRLKYCJP-CQSZACIVSA-N 421.523 1.218 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC[C@@H](C(F)F)N1CCOCC1 1748794169 XPKWEFPVENDUNT-KRWDZBQOSA-N 404.465 1.689 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748889824 HAYGXLBWMTUJOD-UFVMTTLYSA-N 422.489 1.161 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1749353494 UPOGMFMTYKKGRV-HUUCEWRRSA-N 423.470 1.062 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1749575658 VUFNAPIADGFCKC-IAGOWNOFSA-N 416.551 1.818 30 10 HDEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1749642866 FABWPBJVGLJXEZ-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncccc2N(C)C)C1 1749708066 HKNJYZZISWTZCO-HZPDHXFCSA-N 411.510 1.520 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1749729480 LDYPEEAUKFRNMU-UHFFFAOYSA-N 418.523 1.046 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1750031306 YIGVYJFHLCNPFG-AWEZNQCLSA-N 418.523 1.471 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1750379292 DSGAIZMWDBJBMG-BBRMVZONSA-N 402.396 1.861 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C(=O)N3CCCC3)n1CC(F)(F)F)C2 1750382325 SAVQXARKHUZZGC-UHFFFAOYSA-N 421.383 1.611 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(C)COC2)c1 1760128430 HUDFVPQRPIPYKP-QGZVFWFLSA-N 409.490 1.875 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)CC 1760165502 UXSNLGHCMPMBLG-UHFFFAOYSA-N 417.539 1.094 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189415 UGXCTDHQPLCUTE-LZLYRXPVSA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193032 RMHDYSYGCRLION-YESZJQIVSA-N 410.540 1.114 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760252464 QLRSOMJOGBYUIB-QZTJIDSGSA-N 423.521 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C/C=C\CC)CC1 1760266174 RGEUNZIEBIHQAZ-RHVSLNNASA-N 415.538 1.862 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCS(=O)(=O)C1 1760288725 IXAKDLBTSNYXJM-JTDSTZFVSA-N 410.540 1.429 30 10 HDEE CO[C@@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1768022178 GCCSHFKDMTVBLZ-MGPUTAFESA-N 414.489 1.929 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)CCCO1 1770044055 KXJMPYYXQLRTJT-MMOPVJDHSA-N 418.542 1.748 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1772564383 SJESTFCLZWGLNQ-ZIAGYGMSSA-N 413.544 1.716 30 10 HDEE O=C(O)CNC(=O)C[C@H]1SC(=NN=Cc2ccco2)N(c2ccc(O)cc2)C1=O 1772723158 NXIRDABICVZQJA-CQSZACIVSA-N 416.415 1.415 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2S1(=O)=O 1772791801 DTVXXBSVGFMPIU-UHFFFAOYSA-N 414.395 1.608 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1772887335 DSUYACLWAIETTJ-SFHVURJKSA-N 424.477 1.856 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 1849214047 KUSUOTAWMXGDEM-UHFFFAOYSA-N 403.442 1.981 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cn1 1850084626 VEYYZTIKBVPGGA-QGZVFWFLSA-N 406.895 1.395 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852529933 YVZMOIVAVXHUCX-LLVKDONJSA-N 424.832 1.764 30 10 HDEE N#C[C@H]1CC(=O)N(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)C1 1853244368 CDFNTIFHWXXWRL-CQSZACIVSA-N 401.419 1.920 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)CC1=O 1853889661 FMTOCVXSJAEHAX-UHFFFAOYSA-N 403.460 1.976 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3c(OC)nc(C)c(C)c3C)C(=O)C2)C1 1854095316 WOJAAJKCEGYOSV-GOSISDBHSA-N 400.523 1.950 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2ccccc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854131810 SCEWRPQZBIQVIZ-RBUKOAKNSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cncc(OC)c2C)C1=O 1854189145 GNGURZJUDMIKAK-ROUUACIJSA-N 414.506 1.639 30 10 HDEE CN(c1ccncn1)C1CCN([C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1854480323 VBVBZUUYMFOQSC-GOSISDBHSA-N 405.462 1.085 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)ccn1 1854914128 ZYWBSRCDSFEGEI-SFHVURJKSA-N 412.881 1.956 30 10 HDEE COc1cc(C)ccc1O[C@H](C)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855010373 OPWCPTZVKGTZLS-QZTJIDSGSA-N 414.506 1.430 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)C1 1855019569 ROMXMXQXMITQGQ-RHSMWYFYSA-N 400.454 1.515 30 10 HDEE CC(C)n1nc(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)ccc1=O 1855407963 PZJMDLNIQAZZHH-AEFFLSMTSA-N 411.506 1.971 30 10 HDEE C=CCN1C[C@H](C(=O)OCCSCc2cc(=O)n3cccc(C)c3n2)CC1=O 1855668942 KBSUFNOZIVRMNI-OAHLLOKOSA-N 401.488 1.814 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855698792 WTNCRYNVPUTPAR-KBPBESRZSA-N 414.453 1.852 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@@H](F)C3CCCC3)C2)C1 1856386434 OHNJAWBLFKPJGS-VLIAUNLRSA-N 400.454 1.920 30 10 HDEE Cc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c(C)c1 1857039109 NUUNEYXVYGQEMK-LJQANCHMSA-N 417.531 1.786 30 10 HDEE Cc1nnc(C(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CCC2=O)o1 1857273733 ZHWWQNUVQOTGMQ-HNNXBMFYSA-N 408.462 1.903 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)ccc1=O 1857300901 YQOUFKUHUKDERI-GOSISDBHSA-N 405.458 1.079 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CCN(Cc4ccc(C#N)s4)CC3=O)cc2)C1=O 1857513194 GQBPRJHVZGBOJD-UHFFFAOYSA-N 423.498 1.976 30 10 HDEE Cc1nnc(O)nc1N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 1859428318 VCMQAXDWFYPWSH-UHFFFAOYSA-N 413.507 1.458 30 10 HDEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN(CC)CC 1869933706 MVYCJIGYMKAKEV-QAPCUYQASA-N 408.568 1.988 30 10 HDEE CCCCCCCOc1cn(CCN(C)C)c(CN2CCN(CCO)CC2)cc1=O 1870414290 KBGZAZVHVDXGRD-UHFFFAOYSA-N 422.614 1.869 30 10 HDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1cccc(C(=O)OCCCC)c1 1872651242 QKNDVCCRCXFXBE-UHFFFAOYSA-N 416.434 1.889 30 10 HDEE Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 1889627173 OAAOUSPVNPNUBW-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1891534089 MWXGFYFGFFXBRS-UHFFFAOYSA-N 400.460 1.543 30 10 HDEE C=C(Br)CN(C)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1904699740 FODLZZWQRCNYBQ-UHFFFAOYSA-N 411.318 1.388 30 10 HDEE O=C(CCN1C(=O)c2ccccc2C1=O)OCC#CCN1C(=O)c2ccccc2C1=O 1923830709 GQWUWXJONLHITH-UHFFFAOYSA-N 416.389 1.516 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)C[C@@H]1COCCN1C(=O)OC(C)(C)C 1982282900 GIKUAKLISLEXMF-GFCCVEGCSA-N 413.334 1.793 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCOCC12CN(C(=O)OC(C)(C)C)C2 1982298145 PBMBZHNKEAJBHF-UHFFFAOYSA-N 411.318 1.547 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261029 KDKQVNVNXUFBGB-PJSUUKDQSA-N 410.320 1.957 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCOCC1 2118163368 PZCZCQNPZDPJQX-SFHVURJKSA-N 421.519 1.979 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N)C(=O)OC(C)(C)C 2162923692 ZMYMNMQYVRVNBQ-SANMLTNESA-N 416.525 1.794 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174776906 BOSBGLKLXCHSMD-UKRRQHHQSA-N 404.508 1.651 30 10 HDEE CC(C)(C)OC(=O)N(CC(F)F)[C@H]1CCCN(S(=O)(=O)N2CC(C#N)C2)C1 2174783893 HZPUUOHUSQVGSU-ZDUSSCGKSA-N 408.471 1.653 30 10 HDEE CC(C)[S@](=O)(=NS(=O)(=O)N1CC(C#N)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183209711 NJRJDKQMEFYISL-RMKBEBRYSA-N 420.557 1.572 30 10 HDEE CN(CCn1cnc(C(=O)N[C@H](C(=O)O)C(C)(C)S)c1)C(=O)OC(C)(C)C 2233479173 QKASXQQTUKQTNT-GFCCVEGCSA-N 400.501 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548492 QIRWYKZIELCLBP-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244555451 NTPDUJXFHLTIPM-HUUCEWRRSA-N 408.304 1.810 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2247817256 LHZBRQRNDRCNER-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247820923 TXQQSHIETPAVAE-UHFFFAOYSA-N 418.303 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247827254 GLNPBOOJLFJXDM-BETUJISGSA-N 420.319 1.742 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269028708 FRHGWIZULRXAOR-SECBINFHSA-N 407.344 1.142 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](N)[C@H]1C 2282304554 LXJRKNFAGGETEZ-YPMHNXCESA-N 400.375 1.856 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN1CCCC1 2282320424 IIVAWCMGMXBHEJ-UHFFFAOYSA-N 400.375 1.730 30 10 HDEE CCOC(=O)CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337542 LSDHSMRQHDMLCI-UHFFFAOYSA-N 403.331 1.669 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)OC1(C)C 2282410480 XBBBFGHLZQKZOX-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CN[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282493015 RKYWHCLQDADDLB-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE COC(=O)CN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282504145 KINFFXKOBPGKFW-UHFFFAOYSA-N 403.693 1.433 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCNC[C@H]2F)OC1(C)C 2282508001 PKWCHIXLLMGALJ-OLZOCXBDSA-N 404.338 1.167 30 10 HDEE Cc1nc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282519494 LJBKRPMIGDEDJC-ONGXEEELSA-N 400.331 1.056 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CO[C@@H](CN)C3)c2Cl)OC1(C)C 2282638916 UAABEQBBTDXSBQ-GHMZBOCLSA-N 400.737 1.794 30 10 HDEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282828227 KPBFZPUVRJZREK-GHMZBOCLSA-N 423.749 1.393 30 10 HDEE C[C@H]1[C@H](N)[C@H](C)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853130 YPCOXTUVMYUOLA-MBNYWOFBSA-N 400.375 1.794 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](CO)CC2)OC1(C)C 2282857024 BMMZMVCMMGISLN-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CN(C)CCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866681 NJFICNAASMADIF-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282868494 OAKCKQZRYBVLKZ-OCCSQVGLSA-N 401.359 1.377 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)Nc2nc(CCN)cs2)OC1(C)C 2282871925 NSSWWEWTYWVEEN-UHFFFAOYSA-N 415.371 1.806 30 10 HDEE CC[C@H]1CNCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878191 CEAXEYQMKICHIW-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)[C@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284396978 HCKDIVJOZJRRFJ-ONGXEEELSA-N 407.294 1.445 30 10 HDEE CC(C)CN(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284401873 FDKKBFNHDHDGQQ-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(C(=O)O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2284405727 OUZFNMSQNUCXEI-QLJPJBMISA-N 401.315 1.497 30 10 HDEE CCC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284416401 XMEFGSYLEXZPBA-LLVKDONJSA-N 403.331 1.827 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCc2nnc(Br)n2C)[nH]1 2337028548 SANAXOHSCLXRJR-UHFFFAOYSA-N 408.109 1.614 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360619933 CNROOZYHACZUKP-SECBINFHSA-N 402.218 1.248 30 10 HDEE CCc1csc(C#C[C@H](N)[C@@H](O)c2cc(I)nn2C)n1 2363991000 ZIYSGAYMHCBCFA-TVQRCGJNSA-N 402.261 1.456 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365196763 PVLUSLCCGPNBEB-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365201291 HGRQZLQCCBPKKX-YZVOILCLSA-N 402.557 1.586 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2367788280 NKXIQPONLAVBLI-CVEARBPZSA-N 400.541 1.429 30 10 HDEE CC1(C)C[C@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)N(C(=O)OC(C)(C)C)C1 2367812223 QQQCYJXCHCXGPE-KFWWJZLASA-N 400.541 1.291 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)[C@@H]1CCN1C(=O)OC(C)(C)C 2375784044 GTJMXUAGHQKXDV-GLJUWKHASA-N 402.513 1.514 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(C)=O)cc1 10063383 STKCFMSYQMMNJF-UHFFFAOYSA-N 402.476 1.611 30 10 HDEE Cn1cnc2c1c(=O)n(CC(=O)Nc1nc(-c3ccc(C#N)cc3)cs1)c(=O)n2C 14497308 WGSBIOBUPLPJTE-UHFFFAOYSA-N 421.442 1.068 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3cccc(Cl)c3)CCOCC2)CC1 57194463 BTIGQXVWWXYDGV-UHFFFAOYSA-N 405.926 1.835 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 64765879 OYENJYYAGWRGHL-UHFFFAOYSA-N 409.446 1.049 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3C(=O)[C@H](C)Oc4ccc(N)nc43)cc21 96496156 DRHUXZBVAIMTAI-STQMWFEESA-N 422.441 1.961 30 10 HDEE COc1cc([C@H](C#N)NC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OC 110569736 ZQSGWOFNIDXZBR-HNNXBMFYSA-N 424.413 1.097 30 10 HDEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 254372544 OOKPZKSDHRRHNT-VXGBXAGGSA-N 408.423 1.953 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CCO1 409516055 WIHVHLBWBPTKMT-CQSZACIVSA-N 419.334 1.975 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 428054206 NBTZIENSILUOEW-UHFFFAOYSA-N 414.506 1.809 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCC2(N3CCOCC3)CC2)n1 434201433 SFPZXMZSJRHKAA-UHFFFAOYSA-N 400.870 2.384 30 10 HDEE CC(C)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 446714954 PDTZOVHPVGOLFL-GOSISDBHSA-N 404.536 1.369 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)cc2)nc1 465371040 LMUOVPHXDZHHNZ-QVKFZJNVSA-N 405.414 1.854 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 478744723 IUJBANCQKQGKHO-MRXNPFEDSA-N 411.527 1.992 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)n1cccn1 482577569 OBZDSBYWCBPPBC-SFHVURJKSA-N 408.506 1.577 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 482833836 GXABWSIKLHDSHL-UKRRQHHQSA-N 407.492 1.415 30 10 HDEE C[C@@H](CC#N)N(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 505135657 KQZYFGWQZNEHLU-NSHDSACASA-N 416.297 1.563 30 10 HDEE CC1(C#N)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 506047580 NHVVMJGYQITDKB-UHFFFAOYSA-N 406.508 1.272 30 10 HDEE COc1ccc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1C#N 506611408 CVNOLGVRNLMMSE-FQEVSTJZSA-N 422.533 1.922 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 508657004 DFTJLWPVPYDRSM-RBUKOAKNSA-N 421.567 1.349 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508843830 FPQCCCXGWMNVKK-CQSZACIVSA-N 408.466 1.672 30 10 HDEE CC(C)CN1C[C@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1=O 522867225 JZUQDYZFLJLUNW-WBVHZDCISA-N 400.504 1.903 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccccc1C 537566910 MDKKMYSWMSKHMN-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE CCn1nc(C)c(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 538998883 IJMKNFYOBJUYFV-UHFFFAOYSA-N 416.507 1.930 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNc1ccccc1F 542456895 XTOLUPOJGQZLNO-CQSZACIVSA-N 404.467 1.983 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 543914816 OKTPEJXVCWBHPA-UHFFFAOYSA-N 409.321 1.994 30 10 HDEE CC1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 561149126 CCDPLOLUJFIXIZ-MRXNPFEDSA-N 424.954 1.968 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 585227231 SYUUXTBKWCDORV-UHFFFAOYSA-N 409.406 1.228 30 10 HDEE COc1ccc(N2NOC(=O)/C2=C/C(=NC(=O)c2ccccc2)C(=O)NC2CC2)cc1 585673531 GSYDZMOPMLHXSH-DBHUAZNCSA-N 420.425 1.922 30 10 HDEE COC(=O)CN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 609992522 IUDHGWSMWCFCDO-UHFFFAOYSA-N 413.883 1.266 30 10 HDEE N#Cc1ccc(CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1F 616199376 GKIBDJIBRFXNHX-IBGZPJMESA-N 417.393 1.961 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(C2CCCCC2)c1C 732355209 HGGSXVGZTLIIMG-UHFFFAOYSA-N 415.450 1.515 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@H]1CCS(=O)(=O)C1 741784372 JQFDNEAGCKIYJP-HNNXBMFYSA-N 404.467 1.381 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2n[nH]cc2C1 743901313 GAMCZSPJCRGUFL-MRXNPFEDSA-N 401.492 1.592 30 10 HDEE COc1ccc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)cc1C#N 746710985 QKFRERJWEYTGPP-UHFFFAOYSA-N 401.492 1.510 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccnc(C#N)c2)[C@@H](C)O)cc1C 746954815 RSGWCWKFZDWTAO-KDOFPFPSSA-N 403.460 1.341 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)cc1C#N 747498105 LDPDZJYNQOOMRD-UHFFFAOYSA-N 421.413 1.220 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 751318473 DWZGJYXTULZOBE-CQSZACIVSA-N 401.448 1.376 30 10 HDEE Cc1nc(=NS(=O)(=O)c2c(Cl)nc3ccccn23)n(-c2ccc(C#N)cc2)[nH]1 751596935 QKXHFYQWNUIYII-UHFFFAOYSA-N 413.850 1.971 30 10 HDEE CCCN(C(=O)[C@@H](C)ON=C(N)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 754277256 XEFSLHCZJXIISF-DOMZBBRYSA-N 401.916 1.791 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 756744798 GDGYKGUCHHLIRQ-LBPRGKRZSA-N 415.393 1.701 30 10 HDEE CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@H](CNC(=O)OC(C)(C)C)C1 759062516 KBVLJNBFDGLFGF-OAHLLOKOSA-N 400.545 1.541 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 761038367 RAIFCVSMFAJWBH-UHFFFAOYSA-N 417.466 1.353 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 764430750 OIFDLEMJQLJYDU-UHFFFAOYSA-N 414.422 1.781 30 10 HDEE Cn1ccnc1[C@](O)(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(F)(F)F 764430977 STOWVVSURCJCCK-MRXNPFEDSA-N 405.340 1.651 30 10 HDEE Cn1cc([C@@H](O)C[C@H]2CCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 764741897 YQUWOSDJLXZIGS-MSOLQXFVSA-N 406.450 1.992 30 10 HDEE C#CCN(C(=O)NCCc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 774195493 JVSSHHQZLDJGPF-CQSZACIVSA-N 417.300 1.963 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 781596203 XWCHSNWZVZRVCJ-INIZCTEOSA-N 417.418 1.934 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ccnc(C)n2)CC1 802417697 VZPVNLGTLKJXBA-UHFFFAOYSA-N 404.478 1.888 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 810982520 SAUOQQGKMUWSTE-QGZVFWFLSA-N 417.487 1.017 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CN2CCCC2=O)C1=O 917680209 GTPZAXJDZIJEDX-SWLSCSKDSA-N 406.483 1.904 30 10 HDEE COCCn1cc(C=NNc2nnc(SCC(=O)c3ccc(C)cc3)n2N)cn1 1084015400 NCBPEWOQCLOFKO-UHFFFAOYSA-N 414.495 1.564 30 10 HDEE COc1ccc(C(C)=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 1084294781 LTDZWNACSXBAIJ-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE CCCS(=O)(=O)c1ccccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1124723977 GRQZQUJMKAYFQE-UHFFFAOYSA-N 403.464 1.554 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1133399995 CTGNEKYJXJQNIN-KFWWJZLASA-N 402.513 1.118 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1137036675 CGZQADWXZFHIJQ-GFCCVEGCSA-N 409.381 1.620 30 10 HDEE C=CCOC[C@H](NC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC 1139176047 QOCILOMTGOVLIE-GJZGRUSLSA-N 414.499 1.557 30 10 HDEE CN(C)CCn1nccc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1141514698 APJCVYDERMBKSQ-UHFFFAOYSA-N 406.494 1.447 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC[S@@](=O)CC(F)(F)F)ccc2c1=O 1147098538 XQRXJCJSTIUPNU-HHHXNRCGSA-N 419.450 1.912 30 10 HDEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCN(C)C1 1147111336 OSIYXEQAHRYERW-GOSISDBHSA-N 404.536 1.512 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1149468752 GXWJHZKJUJCFLO-UTKZUKDTSA-N 400.479 1.941 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1158987932 ZKWKRBPUAHRUSF-HNNXBMFYSA-N 410.467 1.149 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H]1C 1164262768 WLBCBBKRADIBLG-AMZUWGQFSA-N 404.511 1.897 30 10 HDEE C#CC[C@]1(C(=O)NCc2nc[nH]c2C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1184102166 JTSFAHXFRBPWCU-HXUWFJFHSA-N 404.467 1.996 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1192200797 MPHMUMSKUXUBQW-UHFFFAOYSA-N 419.528 1.009 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 1213924520 YCWOITZADXNLCY-DLBZAZTESA-N 421.519 1.985 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1276909879 MKVVXSQLFGFTFB-AWEZNQCLSA-N 415.471 1.559 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1286276653 YCZLDJKGCGBIJF-GVDBMIGSSA-N 410.588 1.467 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1286372714 DEQDUHGKGBNARL-UHFFFAOYSA-N 406.483 1.017 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccco2)n1 1286471915 SZKMQGAGRJDOQS-GOSISDBHSA-N 423.477 1.353 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286606264 LCHDQULEZSSNID-DLBZAZTESA-N 416.526 1.413 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)CC)CC1 1286663141 GZHONCKTBXXMGW-ODCWNRFASA-N 400.570 1.351 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1286692088 AFEYZDBLHJKAEG-IAGOWNOFSA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CN(CC)CC)C1 1286788483 XIEJZSGLJCDXGT-QZTJIDSGSA-N 404.559 1.990 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286819852 YAKXFFSGNVMUEP-KRWDZBQOSA-N 421.567 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286823867 ZBRNXFASCGPEMT-FQEVSTJZSA-N 423.583 1.132 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOC1=O 1288124040 ADIDJFCCTMATKX-IBGZPJMESA-N 403.487 1.389 30 10 HDEE Cc1nnc(N2CCC(N3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290797193 DLNAGEMCCAJPHO-VXPUYCOJSA-N 413.526 1.568 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1300266782 BEEDUCUPTWMVQK-OXJNMPFZSA-N 420.583 1.082 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1300303205 HAQLFDJJHUQUSE-CQSZACIVSA-N 417.477 1.310 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300495705 JQTNNPASNRLLIQ-DLBZAZTESA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCS(C)(=O)=O 1300538220 OAXCVNOQAVHJHO-UHFFFAOYSA-N 406.458 1.655 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1300621040 JWSKBDFOVDYPGK-LJQANCHMSA-N 422.533 1.882 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNC(=O)c1ccc(Br)cn1 1300715728 VVDWZGONXJYHFK-UHFFFAOYSA-N 404.224 1.285 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300766766 JUAPNESMORTKPQ-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1300778334 SNTJIOHJUXUXHK-IBGZPJMESA-N 423.539 1.185 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)CC1 1301086355 IUMJNMBRQYLEFI-INIZCTEOSA-N 413.544 1.192 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1301696178 LNSQFAYUUYYBBY-VQTJNVASSA-N 424.505 1.415 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1303452567 GACUUGWFDFIKEL-MRXNPFEDSA-N 407.478 1.604 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)C1 1307991361 YMWRTXOLOCFYTF-AVRDEDQJSA-N 405.458 1.817 30 10 HDEE CC(C)(CN1CCOCC1)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1309584788 GNBXZUFBBAVHQI-UHFFFAOYSA-N 420.304 1.849 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)c(=O)nc1O 1312467721 BQYNYFCZHYROSQ-CVEARBPZSA-N 401.398 1.179 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1313097361 NTPNPRPGZKUPJR-MRXNPFEDSA-N 412.512 1.126 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1320350092 KUITWOIEWIIVHY-SFHVURJKSA-N 408.520 1.444 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1323847130 VLHWWNGHCSEPQB-MRXNPFEDSA-N 416.521 1.257 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1358874365 WSKUJTDSHNKMGJ-KKSFZXQISA-N 403.527 1.695 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1358910882 DNHWGOGHAHYKGK-DLBZAZTESA-N 400.527 1.774 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358962703 VBOKDLWJCUZMGB-QGZVFWFLSA-N 414.535 1.679 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1358963689 MNDSNLQFJDDWIX-QGZVFWFLSA-N 409.600 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1nnc2n1CCC2 1358996197 VZNLPOYPBKXZLK-UHFFFAOYSA-N 406.519 1.683 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@H]2C)CC1 1359033875 USDKCZJLELQZKD-LJQANCHMSA-N 424.549 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CC(F)(F)C2)CC1 1359044590 JTNOXJVOFQXITQ-MRXNPFEDSA-N 407.465 1.793 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)F)CC1 1359045554 LPICUUBFNSCEDH-OAHLLOKOSA-N 411.453 1.030 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359188806 VIVKUPBNLWTBDA-YWZLYKJASA-N 421.567 1.499 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359230056 CWMDEGOJWWZLPH-INIZCTEOSA-N 414.485 1.620 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359302504 JLZCGOBPYWTVHJ-RDJZCZTQSA-N 416.551 1.941 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(N)=O)cc2)C1 1359319313 XCMRFEPOWZKPSX-SFHVURJKSA-N 422.493 1.999 30 10 HDEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1359453254 GBVCEBROMIHRQK-MOPGFXCFSA-N 423.521 1.686 30 10 HDEE C#CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1359871246 KEKAUAJMNZOGOO-SNVBAGLBSA-N 424.327 1.659 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)[C@H]1CCS(=O)(=O)C1 1360054849 MFDLHUBJEIEXEV-HNNXBMFYSA-N 417.487 1.367 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1438147458 LTQZWFJUOFWMJW-HNNXBMFYSA-N 416.540 1.345 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(C)(=O)=O)cc2N)C1=O 1448757342 SDYVNVYWISLFAN-LJQANCHMSA-N 424.523 1.988 30 10 HDEE CCO/C=C\[C@](O)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1450334825 CMNKNXJIBBVKEV-PKYBCLHXSA-N 424.372 1.696 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 1455603742 DLFZCPCQNOHTNB-NUEKZKHPSA-N 420.491 1.010 30 10 HDEE C#CCC1(NCC(=O)Nc2cccc(S(=O)(=O)N(CC)CC)c2)CCOCC1 1460802307 QOLUISISULTEST-UHFFFAOYSA-N 407.536 1.818 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 1465661559 UDUJZPLXQVRTRH-UHFFFAOYSA-N 408.524 1.556 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1471028845 DJCMJTLYIRYSPS-SMHULIPUSA-N 406.483 1.475 30 10 HDEE C#CCN(C(=O)N[C@H](C#C)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1478896529 OSDJFFVMGDNOSB-HZPDHXFCSA-N 409.305 1.955 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1 1479313056 LPQCOJVKWHRTPO-CYBMUJFWSA-N 416.473 1.876 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCS(C)(=O)=O 1492900700 ACUDLKOCJGTVCJ-UHFFFAOYSA-N 406.487 1.359 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)COCCO1 1503066362 AHZJDJDLQGAHKL-FQEVSTJZSA-N 414.466 1.155 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1c1cnn(C)c1 1507622194 CBJDYWIOVBPEML-SCTDSRPQSA-N 413.526 1.474 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507629278 LVEUQHSCEBSNHM-SFHVURJKSA-N 410.503 1.354 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1507645757 KCSADHTYKVCFML-JOCHJYFZSA-N 405.458 1.267 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1507762768 BMJQVNACKLFTTR-HXUWFJFHSA-N 412.519 1.700 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507823734 FAQXMRIUZVANJK-AUUYWEPGSA-N 423.514 1.701 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1507835887 PAPIXRQZOFAEIK-UHFFFAOYSA-N 411.514 1.759 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCOCC1 1519529765 IGNAHUALQFJCAN-UHFFFAOYSA-N 419.507 1.105 30 10 HDEE CSc1nn(C)c(NC(=O)COc2ccc(C#N)c(Br)c2)c1C(N)=O 1531309457 MOINDWAJILPKFP-UHFFFAOYSA-N 424.280 1.893 30 10 HDEE C[C@H](C(=O)Oc1cc(Cl)cnc1I)n1cnc(C#N)n1 1534164282 ZDWLREOWWJKNPD-ZCFIWIBFSA-N 403.567 1.969 30 10 HDEE CO[C@H]1COCC[C@@H]1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536933260 IDOPZKXRIHTWJD-OALUTQOASA-N 421.519 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCc1ccco1 1538961558 BGIRFZCIDRSJDW-AWEZNQCLSA-N 400.483 1.564 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1539078779 GYKYLCWLQBQXNP-SFHVURJKSA-N 415.538 1.978 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539134397 VRQXLHGUJBJSET-SFHVURJKSA-N 419.489 1.698 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1539212630 WQDVFBYSJKMQIX-IBGZPJMESA-N 424.530 1.548 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCO[C@@H]1C 1539278679 HSROJCYHMYDXRS-WZONZLPQSA-N 424.501 1.869 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCN(C)C1 1539395227 AOZUAUDWMARPQG-NFBKMPQASA-N 411.550 1.973 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539414477 VFWFQPANHWPHKN-WFXMLNOXSA-N 404.511 1.944 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1539428921 YBKUPSOZDKZPRQ-XMSQKQJNSA-N 414.554 1.617 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(Cl)c2)CC1 1539446226 VNRBVRAMZUNWAO-QGZVFWFLSA-N 416.888 1.825 30 10 HDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1539530734 MOSNMEDJZJFQFY-OXJNMPFZSA-N 419.551 1.108 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N(C)C)CC1 1539640723 JNJWOSLYEIZCML-FXAWDEMLSA-N 420.558 1.006 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1540070851 AQAYTQCCEDDSGC-GOSISDBHSA-N 413.526 1.880 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1540140469 WMCZZGVIONIWEU-ZDUSSCGKSA-N 413.569 1.913 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540854993 SERPPTHKGQXVOF-IBGZPJMESA-N 401.492 1.394 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540864938 PLNOSLGPQRCCAL-NRFANRHFSA-N 412.494 1.218 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cccnn2)CC1 1540867951 MZEDLCMQIRSBBN-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1540902536 LOQUKDXESXMNHE-QGZVFWFLSA-N 423.583 1.305 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1541992632 NTAXFENXHSVAMT-CABCVRRESA-N 415.498 1.290 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1542742922 RMMLUABJYDOIKD-SFHVURJKSA-N 421.505 1.906 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 1542978402 OTGBYLSNUZYJMR-ZEMNLDEISA-N 409.364 1.811 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1ccc(I)cc1 1545534214 ABFHIYLVSYCABC-LBPRGKRZSA-N 411.243 1.979 30 10 HDEE CCOCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1548233954 JGQACSLNSIQXIP-BBRMVZONSA-N 402.496 1.147 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1554128970 UMGNTLNOJXNMON-MRXNPFEDSA-N 409.494 1.446 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1554482593 DHHOOIZCKFQDMW-KRWDZBQOSA-N 407.478 1.154 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1558111170 VVRVVHCABFXCQJ-SFHVURJKSA-N 408.520 1.733 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)CC2)OC1(C)C 1558163479 CKHDUWQVTAGHII-FQEVSTJZSA-N 405.304 1.792 30 10 HDEE C#CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CCN(C)CC1 1558507422 QMAMGKQXTUMOHK-HXUWFJFHSA-N 423.517 1.092 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCCn2ccc(O)nc2=O)c1 1558722579 YPTNXIADBCPSSR-UHFFFAOYSA-N 404.430 1.648 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCSc1cccnc1C#N 1559412222 AVYWAIWRVSBHQT-UHFFFAOYSA-N 411.530 1.770 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)F)c2Cl)CC1 1562596782 ZSUAUOKIFQVRJE-UHFFFAOYSA-N 406.842 1.895 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCCCC1 1564013589 FOVOCHHOJONDDF-UHFFFAOYSA-N 408.480 1.899 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1566177829 CAYQOTXNDWIKNH-MRXNPFEDSA-N 405.499 1.845 30 10 HDEE N#Cc1cn(CC(=O)NCCOc2c(Cl)cc(Cl)cc2Cl)c(=O)nc1O 1566250884 JMRLNWKVOYUAMV-UHFFFAOYSA-N 417.636 1.976 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCCOCC3)C2)C1 1567795747 TYKWUNSSGRGIQO-BATSVXPKSA-N 406.527 1.612 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 1569162521 MXVXYTHVJBVECN-CRAIPNDOSA-N 404.492 1.535 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 1583811524 GEACWFZMLHYMRY-ZDUSSCGKSA-N 413.908 1.743 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](COC)[C@H]2CCCOC2)ccc1F 1584512323 ZXPSITGGHJLGNU-GOEBONIOSA-N 400.472 1.461 30 10 HDEE CN(C)[C@]1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)COc2ccccc2C1 1584637514 JEYFZVKSFSVRKY-QHCPKHFHSA-N 405.502 1.974 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)C2)c1 1586074290 NZMKIUWCMNAJFU-UHFFFAOYSA-N 416.459 1.109 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1588053119 BFBJXECWOZTFDO-CVEARBPZSA-N 410.540 1.571 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1589069561 LPDOEKDNOONTQI-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1593695372 DZRDFRZYCMYZRD-DOTOQJQBSA-N 418.542 1.504 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594698379 OVMJTULGMODEHK-HNNXBMFYSA-N 407.482 1.554 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1595501501 WHFJPPQQNWUQBN-UHFFFAOYSA-N 409.494 1.470 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1Cl 1595569370 FZQHMWKGRHXYNC-UHFFFAOYSA-N 416.913 1.993 30 10 HDEE Cn1ccc(-c2nc(CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)cs2)n1 1596019288 MFQMPXWFSSGYDH-UHFFFAOYSA-N 415.500 1.646 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)CCOC1 1616195263 JAEQCWPGMDJUPL-HXUWFJFHSA-N 407.515 1.459 30 10 HDEE CNC(=O)c1cccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1618320569 DOPWPRROXPFHIY-UHFFFAOYSA-N 403.435 1.455 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC=CCC2)CCO1 1620357318 VCYDDIGKNBYUBR-LJQANCHMSA-N 412.469 1.987 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@H](COC)OC 1622563067 FGKFCHGLZCYWFK-INIZCTEOSA-N 404.529 1.312 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C=CC2(CCC2)O3)CC1 1627416465 YEFODOQUHMENIX-UHFFFAOYSA-N 416.503 1.632 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1628850391 ZCKXYWVFUBDKLU-ZBFHGGJFSA-N 404.463 1.870 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1 1629805902 CLNGKWSCSDKUBB-UHFFFAOYSA-N 412.471 1.067 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)C(=O)C1 1634471292 XMGMZRCRNXQVTE-HRAATJIYSA-N 420.510 1.377 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1639618482 YQKHTPLKIQKQPP-XJFZTKQQSA-N 406.483 1.711 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)cc1S(=O)(=O)NCC#N 1639629695 AZAOCTRYMXDLFP-ROUUACIJSA-N 420.535 1.026 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)c2cccc3ccccc23)c(=O)n1CCO 1641368438 GQAVTMKOTABEAY-CQSZACIVSA-N 406.442 1.213 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCC23COCCN2CCOC3)c1 1641697612 YZBXDQHOLBRIJZ-UHFFFAOYSA-N 407.474 1.396 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1641836768 JLYCWCQSUNSTBF-OAHLLOKOSA-N 401.492 1.704 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1642903119 ANIUTKYXIIAWHP-UHFFFAOYSA-N 416.478 1.497 30 10 HDEE Cn1nccc1C1(O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1643414445 XMOYEWHUOVRDSV-RDYUPDBUSA-N 415.494 1.237 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636963 SMLHISOEQOQSNC-SJCJKPOMSA-N 411.505 1.042 30 10 HDEE CC(C)c1[nH]nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1645991176 MKKRYHFJIDOIMT-LKFCYVNXSA-N 401.286 1.306 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCC2(C#N)CCOCC2)C1=O 1647903926 GCBXWGPVRJVPMN-HXUWFJFHSA-N 414.462 1.207 30 10 HDEE CCN(C)[C@@H]1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1648291986 DBJPELJWNSLFOU-WBVHZDCISA-N 406.552 1.692 30 10 HDEE CO[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@](C)(CO)C1 1648726022 CNZNQMSCAWJSMQ-MGPUTAFESA-N 423.535 1.284 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CS(N)(=O)=O)CC3)n[nH]2)c1C 1650777751 RVSQMARTEZQPBI-UHFFFAOYSA-N 406.512 1.217 30 10 HDEE N#Cc1ccc([C@@H]2CN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CCO2)cc1 1656288239 AUGSPAIGQKVRSY-IBGZPJMESA-N 414.487 1.608 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NCc2ccc(S(N)(=O)=O)c(Cl)c2)[C@H](C#N)C1 1657689572 HIXGVPJLDUUNOR-TZMCWYRMSA-N 414.915 1.836 30 10 HDEE N#CCC(=O)N1CCN(C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 1658693852 OSSIPOGZETYXGT-CQSZACIVSA-N 400.248 1.386 30 10 HDEE COCC#CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1658997816 JMGOLIIQIZISBI-MSOLQXFVSA-N 406.527 1.504 30 10 HDEE C[C@H](NC(=O)CNC(=O)CN1CCc2c(sc(N)c2C#N)C1)c1ccc(F)cc1 1660489633 QPCXCXOSVKFBBA-LBPRGKRZSA-N 415.494 1.693 30 10 HDEE C#CCN(C(=O)Nc1[nH]nnc1C(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1 1664473348 LTPXSLIKUPPPNU-UHFFFAOYSA-N 405.459 1.031 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCc2nn(C)cc2I)CC1 1677105902 UDJQTVNUVNVRPP-UHFFFAOYSA-N 417.295 1.864 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2=O)cc1 1681300830 KHBSUOLFZJKCIA-DLBZAZTESA-N 401.442 1.299 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)s2)C1 1683457292 SEWQSDHGDZYDGU-HNNXBMFYSA-N 400.526 1.202 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1684426469 YEDQTUJMDLHXQR-SFHVURJKSA-N 405.520 1.230 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)N[C@@H]1CCO[C@@]3(CCS(=O)(=O)C3)C1)C2 1685883362 KOLRQYHQQMFXAV-XLIONFOSSA-N 403.504 1.557 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)n1 1685935017 YAQLGSKNGNCAAY-INIZCTEOSA-N 407.515 1.978 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1689907600 DTHPKVGJTJUJNL-MOPGFXCFSA-N 414.554 1.475 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1689937410 ZAIMNDUYXSMNEN-HXUWFJFHSA-N 411.554 1.854 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988126 JQOTVORFPUFZRY-SJORKVTESA-N 419.551 1.436 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689988250 LOVGLPXPEJIQOR-KSZLIROESA-N 406.552 1.843 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCn1cnc2ccccc21 1690099530 AKVUKTQJNSEALN-UHFFFAOYSA-N 404.478 1.815 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2cccc(C)n2)CC1 1690128436 DEFPGIAYJRFMLI-UHFFFAOYSA-N 401.518 1.965 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOc2ccc(Cl)cn2)CC1 1690148659 OGVIXDQCBVXWJZ-UHFFFAOYSA-N 416.913 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CO)c2)CC1 1690154034 HYFAHHKDABPBSZ-HXUWFJFHSA-N 423.517 1.636 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N(C)C)CC1 1690405087 ZPGRZPSNMRHFHW-UHFFFAOYSA-N 421.509 1.802 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690506301 JAQFBTKFJRPHMG-INIZCTEOSA-N 408.528 1.285 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690673383 UXESRHICHRGGCU-GOSISDBHSA-N 406.494 1.641 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NC2CCCCC2)C1 1690697345 SVNAUNRZXSOABO-KRWDZBQOSA-N 411.510 1.965 30 10 HDEE C=CCN(CC=C)C(=O)CN[C@H](C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1691672083 NYRXIJFLNXZUAC-UCTAPSKPSA-N 401.551 1.827 30 10 HDEE COCCn1cc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1698073506 MDAWNVMFESHISU-KRWDZBQOSA-N 413.507 1.550 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C2CC2)CCO1 1698493009 IAPXAOAAYOYCFO-AWEZNQCLSA-N 416.432 1.402 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1705520221 MDIIRJHTIPMXNI-UHFFFAOYSA-N 424.534 1.993 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705565416 IEEBEECAWDDYRZ-ZWKOTPCHSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC1(OCCOC)CCOCC1 1705579416 WBIMZIWEPVOCOK-UHFFFAOYSA-N 409.490 1.625 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@H](OC)C(F)(F)F 1705600716 JVDOZNHGBWKVID-HNNXBMFYSA-N 411.428 1.831 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1ccnn1 1705625856 ZIMKTFWHLVYFRE-GOSISDBHSA-N 422.468 1.690 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(C(N)=O)CCOCC2)CC1 1705637052 HSIFBYVXQBXGOI-UHFFFAOYSA-N 422.533 1.291 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)C2CC2)CC1 1705644625 XFVGKWDTVICGGM-HNNXBMFYSA-N 400.527 1.284 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCOCC)CC1 1705650527 SQWVNWYCSHGTEN-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(OCC(N)=O)CC1 1705708475 CSPAERGLRVDYMF-KXBFYZLASA-N 407.515 1.267 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1711396388 KGRQCQGOADNJAG-MRXNPFEDSA-N 424.278 1.624 30 10 HDEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1712379764 PQZGOJQVNDTJAN-UHFFFAOYSA-N 417.558 1.612 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1722282028 WHEDJLGZDLFPDE-SECBINFHSA-N 415.242 1.875 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722316518 JLKJQMFGVGQUCN-MSOLQXFVSA-N 421.567 1.336 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1722351874 LHTAPNVWSWOIEQ-SFHVURJKSA-N 424.530 1.678 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1722418003 AQYDUMWBLSNSBM-VXPUYCOJSA-N 408.437 1.892 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCc2cnn(C)n2)CC1 1722438821 DAKZEVPZOZIQQN-UHFFFAOYSA-N 422.512 1.525 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1722671945 GPTINSXZKHGHGQ-OAHLLOKOSA-N 405.528 1.120 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1722685070 MSIBSTQGBVNGDK-JKSUJKDBSA-N 416.551 1.986 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722701014 CFOSKPVDOSWLET-SJORKVTESA-N 417.535 1.617 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncn(C)n2)C1 1722723532 ZVYFFQVVRGRHOU-HNNXBMFYSA-N 400.512 1.592 30 10 HDEE CC(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722857154 STAZIQNQVZILRX-OAQYLSRUSA-N 421.549 1.766 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1=CCCOC1 1722865962 MLBQODPEGMYYRZ-OAHLLOKOSA-N 405.466 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1740645655 QASLDXIAABNJGZ-IAGOWNOFSA-N 407.465 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1740654589 MHPUOACITVLHGC-LJQANCHMSA-N 411.531 1.694 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1740729340 DNVNUHXWMIHVQP-BEVDRBHNSA-N 402.568 1.659 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740867701 SJTJVNVNLKTAEF-HXUWFJFHSA-N 417.514 1.197 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccn2C(F)F)n1 1742712377 CHGZMBUDJHKYCO-CQSZACIVSA-N 417.424 1.508 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1745779158 HZAVUFHCANUCER-QGZVFWFLSA-N 409.494 1.448 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1745791503 KCZBHZHYCXHJEX-HOTGVXAUSA-N 410.434 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)C1CCC1 1748646716 CLNRCAIGSVIYBS-HRAATJIYSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1748772737 PMDZBFXNDAKFBP-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749097616 FLZDYIKVKDTYID-CYBMUJFWSA-N 423.315 1.831 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1749097671 GZWJCWUCDMOTBS-VXGBXAGGSA-N 421.303 1.608 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)CC1 1749298877 VTOXWDNENKBCOX-SFHVURJKSA-N 408.506 1.745 30 10 HDEE C=CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749598458 YPTNXAYNNCCBMF-ZWKOTPCHSA-N 423.583 1.999 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1749756215 UUQHZLJOYBWLMQ-HZPDHXFCSA-N 414.597 1.961 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1750104276 HLNANCHIZZSNQU-KRWDZBQOSA-N 412.494 1.572 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCOCCCO)c1 1750382349 TXSPDQSSJRCVJZ-OAQYLSRUSA-N 413.478 1.211 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCOCCCO)cc1 1750383766 BOYHBONCPAUQDM-UHFFFAOYSA-N 407.421 1.973 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCSC1 1760242674 LFVNEEHRMGOWDJ-HUUCEWRRSA-N 415.585 1.118 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760258630 ADSSJGJIYFCQIJ-OAHLLOKOSA-N 415.567 1.735 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)CC1 1760261204 ICURICPCGPYYSX-MRXNPFEDSA-N 419.576 1.354 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760274276 HXBVZIPPNPSDNB-MRXNPFEDSA-N 404.584 1.559 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1762058698 RPTVWLSZTUCOAC-RYQLBKOJSA-N 415.542 1.611 30 10 HDEE CCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764943843 ULFVPCRBZCVACF-DVEDPGPFSA-N 402.499 1.618 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1767943323 AKFWOKRKJBUXTH-UHFFFAOYSA-N 420.477 1.681 30 10 HDEE CN(C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1768417294 BEYNYRJMISZHRG-FQEVSTJZSA-N 412.473 1.968 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1768585309 MJHWROKFNUIEGY-AVRDEDQJSA-N 424.505 1.279 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1769053181 FRIXNMBMZQVAEQ-NRFANRHFSA-N 402.462 1.721 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1769530434 BSKKMSLQVQZQGJ-UHFFFAOYSA-N 412.494 1.855 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)cc1 1848949218 FWZWYWATYPPCQV-KRWDZBQOSA-N 418.453 1.989 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1849905320 FWMJOIFLTCIFBT-UHFFFAOYSA-N 418.441 1.422 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)c(C#N)cc1C#N 1850585682 XXKLBUHPBMFBQP-WMZOPIPTSA-N 407.405 1.943 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@@H]2CCOC2)cc1 1851464918 BOMIBMCNXAYJCW-IEBWSBKVSA-N 400.456 1.780 30 10 HDEE CS(=O)(=O)N1CCN(CCOC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)CC1 1852191345 NCSACINWDJFBRV-UHFFFAOYSA-N 413.499 1.959 30 10 HDEE N#CC1(CNC(=O)c2cn3cc(I)ccc3n2)CCOCC1 1852540288 NXBYTYLPAQCKRV-UHFFFAOYSA-N 410.215 1.989 30 10 HDEE NC(=NOCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C(F)(F)F)cc1 1853557031 OFRHQOFRWCEAON-UHFFFAOYSA-N 422.411 1.871 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCn3cccn3)C3(CCCCC3)C2=O)CC1=O 1854093348 WDFDISYNQWDVFG-SFHVURJKSA-N 413.522 1.291 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)CCN1CCCC#N 1854253699 YFSAQVBKRKCYEI-OAHLLOKOSA-N 409.483 1.743 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@H]1C 1854330114 CQYDPUDBILXSME-CABCVRRESA-N 401.463 1.302 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O)[C@H]1CCOC1 1854459728 JSQFREVHSDLRSE-HOCLYGCPSA-N 419.503 1.369 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC2CC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636286 UJYOGGXOZOQMGP-GFCCVEGCSA-N 411.430 1.742 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2=O)CC1 1854725028 SZPUVGYLSXYRQD-HZPDHXFCSA-N 402.520 1.758 30 10 HDEE Cc1nc2ccc(F)cc2cc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854812679 CMNYAUOULABRIE-LBPRGKRZSA-N 404.423 1.209 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCCc4cncc(OC)c43)C2=O)CC1=O 1854816933 POQLWGHCERVDET-DLBZAZTESA-N 412.490 1.395 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1856109547 IVFLAJICYPNFPK-CQSZACIVSA-N 423.395 1.179 30 10 HDEE C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCC2)C1=O 1856266268 GRLNVWVYHWADOB-HOCLYGCPSA-N 401.488 1.887 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1=O 1856749159 XBKMFFAGWXCFOS-CABCVRRESA-N 409.408 1.954 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1856797261 MXUDMSWIWZVTMC-MAUKXSAKSA-N 411.568 1.605 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)Cc2ccc(F)cc2)c2ccccc21 1856900857 SSNXRHVQXHVOBD-UHFFFAOYSA-N 401.419 1.991 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1856977990 LHEHKAZZJNMERD-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3Cc4ccccc43)C2)CC1 1857035798 BUOYVUWNPJVZFL-FUHWJXTLSA-N 401.488 1.267 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@H]1CCN(C)C1=O 1857055138 AFSOELBMOCLRGB-YJBOKZPZSA-N 417.481 1.932 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1857185101 FGIHWLIGNSQRFO-MJGOQNOKSA-N 414.510 1.462 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1857387356 KRTNTAQSNGVRKV-QFBILLFUSA-N 412.465 1.932 30 10 HDEE O=C(/C=C/c1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860636660 MDSASGGPAPNTFO-DAFODLJHSA-N 424.413 1.692 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)CC[C@H]3CCC(=O)N3)sc2c1 1866203623 INWBKDGUNVRXGW-LLVKDONJSA-N 408.505 1.758 30 10 HDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1ccccn1 1870112531 JFWORXUCZJUUTH-UHFFFAOYSA-N 407.346 1.620 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CC=C 1870541775 INRIBBMYSRWKHJ-IBGZPJMESA-N 401.507 1.882 30 10 HDEE N#Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCOCC2)cc1 1871337132 CKNITWZLWCBZFK-UHFFFAOYSA-N 401.444 1.597 30 10 HDEE COC(=O)c1sc(C2=C(N)N(C[C@H]3COc4ccccc4O3)CC2=O)nc1C 1872724711 OTPDIEAWUCFPQV-NSHDSACASA-N 401.444 1.590 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C1 1891681400 NVKLYHGXOCBJFY-LBPRGKRZSA-N 402.925 1.663 30 10 HDEE C#CCNC(=O)CNC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1962765965 YTJOAHQBNSMXBB-HNNXBMFYSA-N 405.454 1.779 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533678 RLUOUUYYACINGB-SFHVURJKSA-N 410.492 1.391 30 10 HDEE C=C(Cl)[C@H](O)CS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2019012981 VETBCIPYRRRARW-KGLIPLIRSA-N 419.883 1.673 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1[C@H]2CC[C@H]1CC(=NO)C2 2108227252 FOSQDZIIYTXOHU-CKFHNAJUSA-N 423.466 1.798 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](CS(=O)(=O)N1CCOCC1)NCC 2145729211 YSYJOJBIDOCWQW-JKSUJKDBSA-N 405.561 1.486 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 2163556806 SVGWISGJNACLRW-UHFFFAOYSA-N 415.899 1.908 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNS(=O)(=O)N2CC[C@H](C#N)C2)O1 2181216252 QJAPVZYSSYLSSU-KFWWJZLASA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)cnc1C#N 2218615814 MNPDGILXCOZQLE-IHRRRGAJSA-N 413.272 1.469 30 10 HDEE CCN[C@H](C#CP(C)(C)=O)C1(O)CCN(CCNC(=O)OC(C)(C)C)CC1 2233748292 CBKQUKUBVLFANK-MRXNPFEDSA-N 401.488 1.900 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243387548 WJUVXFKEAZYRNQ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247671262 QIBJZZZWCFCSGA-GJZGRUSLSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2C[C@@H]21 2247827022 DDSDNLSDKHOGJK-KGLIPLIRSA-N 418.303 1.543 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2248403917 JABWPXLYRZNBHG-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248404989 ODXNAYQVFWNMKM-OAHLLOKOSA-N 418.303 1.597 30 10 HDEE C#CC[C@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270506553 BOXYQLLOYXJCKL-ROUUACIJSA-N 422.503 1.662 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282199041 GCHOJPXUCWEFAH-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@](C)=O 2282333470 PCRMUWXGTSDVCI-CANCMXDXSA-N 401.359 1.421 30 10 HDEE CC[C@@]1(O)CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341153 OKSMGQPLAMVCRS-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CC[C@@H](C)N1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342925 BACYTCXBAVSKIC-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCC(C4OCCO4)CC3)c2)OC1(C)C 2282352968 DEDLIZZFWRFOET-UHFFFAOYSA-N 424.328 1.154 30 10 HDEE CC(C)[C@@H](N)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282490037 INYLXLZAXQNAPJ-HNNXBMFYSA-N 402.753 1.901 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCN(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282494606 ZZKSJCURJYURFK-CYBMUJFWSA-N 400.375 1.647 30 10 HDEE CO[C@H]1CC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495292 KKJJTZBPXFIXHO-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCCO)C2CCC2)OC1(C)C 2282504464 PAZFTTAJKBQTTM-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE Cc1csnc1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833777 KBYDDZDGPRJKIG-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CC1([C@H](CO)NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282847496 ZOHPJHNOFAQZMH-LBPRGKRZSA-N 402.347 1.023 30 10 HDEE CN(C)CC(C)(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849667 FKBNYMNJDZPBRS-UHFFFAOYSA-N 402.391 1.913 30 10 HDEE CN([C@@H](CCO)C(F)F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849691 FQZLLKNSIRTHBR-NSHDSACASA-N 411.301 1.684 30 10 HDEE CC[S@](C)(=O)=NCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858272 UPAUSUDUPDHUEJ-VWLOTQADSA-N 422.403 1.443 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@@H]1CCCS(=O)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2282869803 INWRYASTXPPWEF-CQSZACIVSA-N 407.363 1.403 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@@H]3C(=O)O)ccc2Cl)OC1(C)C 2284393480 LLCXPDIKFSJWKQ-GWCFXTLKSA-N 401.677 1.391 30 10 HDEE COC[C@@H](CC(=O)O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2284488554 RSSMBJDRKXKOEJ-SECBINFHSA-N 403.693 1.920 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351707543 IQDWNEOYRVFWAI-CQSZACIVSA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@H]21 2365176597 RFAPDIGHSWOEAC-KLHDSHLOSA-N 401.525 1.588 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367786061 UQEXJPJCQONQMA-HUUCEWRRSA-N 402.557 1.863 30 10 HDEE COCC[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367792479 OYVULXBSNHUYPF-QAPCUYQASA-N 401.525 1.592 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367806912 OJEYEOCUUADOED-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CCN1CC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2368395921 DGPSDSXFKDFQML-UHFFFAOYSA-N 400.375 1.586 30 10 HDEE C[C@H](CN(C)C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2379820511 FYNJIRQLYNLFPG-GFCCVEGCSA-N 403.379 1.154 30 10 HDEE CC1(C)[C@@H](N)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2380429962 JHBAHKPXHORIQY-LBPRGKRZSA-N 401.363 1.084 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 27558980 PTIJWJUJBJOJBF-ZDUSSCGKSA-N 409.874 1.495 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1/C=C/c1ccccc1 72443882 ONYIBFDOIKZNMM-YCZSJOHXSA-N 418.457 1.360 30 10 HDEE O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 101027137 HBBGEQSUIIBRLK-XVVJXUEJSA-N 422.441 1.818 30 10 HDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 409603758 KPPJCAUATGBZBY-CQSZACIVSA-N 416.507 1.290 30 10 HDEE Cn1cc(N2CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2=O)cn1 426878685 KEIUTSNMHZLXDY-UHFFFAOYSA-N 402.414 1.968 30 10 HDEE CCCc1c(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 439663293 CABVCVJCMOTUSW-HNNXBMFYSA-N 416.507 1.852 30 10 HDEE CCC1(CC)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC[S@]1=O 469878600 CINGRHVKOIMLLK-RMKBEBRYSA-N 411.549 1.375 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 479927815 ICSYRJYBVNEJQU-LSDHHAIUSA-N 424.486 1.683 30 10 HDEE CC[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 481051853 CGPBOBRRMXBWQJ-QGZVFWFLSA-N 411.480 1.915 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1C#N 489822413 SSEDQUBXVVFSNC-LJQANCHMSA-N 400.504 1.831 30 10 HDEE COCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 490295475 CBQUONLBPYNTRR-DLBZAZTESA-N 400.435 1.027 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NCCOc2ccc(C#N)cc2)CC1 498805496 YELGZWJVCBBTRR-UHFFFAOYSA-N 403.508 1.720 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 502376158 FVOGYLNLIGQTFB-HNNXBMFYSA-N 402.499 1.730 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]21C 504624369 YGJGUDWTWGIYMD-MOEMGWAKSA-N 418.461 1.997 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 511144789 LBCRNKMBPFUVOA-MAUKXSAKSA-N 410.515 1.817 30 10 HDEE CC(C)n1cnc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 513794846 XOUPQUJQPKDUSV-UHFFFAOYSA-N 423.520 1.031 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 514916264 ANLLISCMIGJNEI-CQSZACIVSA-N 403.529 1.180 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCCO1 533884147 AGXHGDPNKZDNKO-KRWDZBQOSA-N 409.511 1.746 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 538273797 VEVMPHFFTYSPIV-AWEZNQCLSA-N 403.508 1.324 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 545543884 OJCLJJNJGDCAFV-UHFFFAOYSA-N 405.462 1.449 30 10 HDEE CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(Br)c1 551220530 OWWBUHJFDZWIIB-FZMZJTMJSA-N 405.314 1.757 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 554970741 PREUBXLMELQVBF-UHFFFAOYSA-N 417.535 1.552 30 10 HDEE CCN1CC[C@H]2OCCN(CC(=O)Nc3c(C#N)c(C)c(C)n3CCCOC)[C@H]2C1 555592069 KXKYWUPRBBQOAX-VQTJNVASSA-N 417.554 1.747 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2)n(C)n1 568826849 AWDUZUFPAXEMKE-SFHVURJKSA-N 408.510 1.496 30 10 HDEE C#CCn1nc(CNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc2c1=O 585170742 PRHZHANTLFPLSK-UHFFFAOYSA-N 424.482 1.210 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)c(F)c1 586861010 VAAXMKQBWQMEEA-UHFFFAOYSA-N 424.476 1.587 30 10 HDEE CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN(c2ncccc2C#N)CC1 604401168 JXOCWFSFINTSBI-UHFFFAOYSA-N 406.490 1.834 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611808042 PIZDIJNRXAQEJQ-INIZCTEOSA-N 414.853 1.463 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)O 681557652 XBSWPPOWZBNIPX-LLVKDONJSA-N 408.270 1.782 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)cn1 726180588 HGZXEJSGVOAHLC-UHFFFAOYSA-N 405.483 1.768 30 10 HDEE C[C@H]1Oc2ccc(C(=O)CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)cc2NC1=O 727977279 WJIJJJQUISEJKU-IPQOISQHSA-N 418.409 1.928 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729334812 VYTYWZWYIBQRQC-PKOBYXMFSA-N 420.506 1.256 30 10 HDEE C#CCN(CC(=O)N(CC)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731213241 YKMHNMVVNVBHFY-QGZVFWFLSA-N 408.520 1.175 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1C1CC1 732652244 SJYMTTWUGNQBKD-IEBWSBKVSA-N 402.520 1.429 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 740202615 CBXFDGKBTSVGJE-CVTTXWKISA-N 414.439 1.906 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 740204655 LWBUXYBKEUELKS-KRWDZBQOSA-N 422.846 1.947 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccccc1 743727482 NIOZXTRIOPCFMA-UHFFFAOYSA-N 422.535 1.528 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)C1=CC=CN2CCS(=O)(=O)N=C12 751619777 XJTWZYQYVFIRID-UHFFFAOYSA-N 407.835 1.783 30 10 HDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 758071923 PLAUOGHMRRYKNV-UHFFFAOYSA-N 400.485 1.906 30 10 HDEE C#CCN(C(=O)NC[C@H]1CSCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 759325729 DXMDDLDPIKDOAK-MOPGFXCFSA-N 421.588 1.436 30 10 HDEE CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760405090 KCYUAXWXCGIIME-ZDUSSCGKSA-N 401.554 1.854 30 10 HDEE C#CCN(C(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)[C@H]1CCS(=O)(=O)C1 760453716 SMLQAWPXDYXQMD-HKUYNNGSSA-N 402.516 1.695 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CCCN1C(C)=O 761139186 TWSJOMJZHOAPDA-KRWDZBQOSA-N 404.467 1.506 30 10 HDEE CO[C@@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(O)cc1 764595692 BAWSXRLTWDKXKY-GOSISDBHSA-N 414.418 1.140 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 774193838 ABYYRPBMRDIYQZ-QAPCUYQASA-N 409.939 1.998 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774195689 RQSXMMASSBCDOX-MAUKXSAKSA-N 403.504 1.706 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 774229345 WANRDTIXLZCGNS-HOJAQTOUSA-N 419.547 1.108 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774234432 HYOQJVCJEQUWEU-HZPDHXFCSA-N 421.519 1.114 30 10 HDEE CCC1(CC)CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCS1(=O)=O 777580032 KVDKXEWOIAOEMW-IBGZPJMESA-N 418.519 1.572 30 10 HDEE C#CCN(CC#CC)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 784925804 HYPZSHUFDZGKHZ-KRWDZBQOSA-N 402.472 1.063 30 10 HDEE COCCOc1ccc(F)cc1S(=O)(=O)NC(=O)[C@H](C)Oc1ccccc1C#N 787017925 JGRYWLUQROMBCV-ZDUSSCGKSA-N 422.434 1.995 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)n1 788695451 OCOYBRWJTNABLB-UHFFFAOYSA-N 406.464 1.824 30 10 HDEE Cc1cc(C)c(N2CC[C@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)c(C)c1 789895156 QSKFCYCIQRECPZ-XOMICKMZSA-N 410.474 1.750 30 10 HDEE CCc1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1C(CC)CC 792227972 GAFGYSOTKAYTDA-ISLYRVAYSA-N 416.482 1.388 30 10 HDEE C[C@H](CC(=O)NC[C@@H](C)N1CCCCC1=O)/N=C1/NS(=O)(=O)c2ccccc21 793930268 AYNQGPYMPGLKPU-ZIAGYGMSSA-N 406.508 1.021 30 10 HDEE CNC(=O)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccccc1 797517504 NPGZUEAANYABSU-ULQDDVLXSA-N 415.494 1.922 30 10 HDEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 799035015 QRFLJOLCHPCZAZ-MJWGMMHASA-N 419.865 1.847 30 10 HDEE Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1C#N 799410518 SIHLYPWTQQFHTG-UHFFFAOYSA-N 401.444 1.846 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803923756 YOFHGTNBLNLFSD-SUMWQHHRSA-N 422.478 1.696 30 10 HDEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780746 FQPHTSFMBGVICW-VUAZUDAXSA-N 407.471 1.213 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1-c1ccncc1 815512035 FUHIFPAGPWLOET-FMQUCBEESA-N 419.441 1.638 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 816005823 BAQRDNSBBCTVRX-UHFFFAOYSA-N 412.349 1.450 30 10 HDEE CON=Cc1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 919882995 ZRMAWOXWDYQZRJ-UHFFFAOYSA-N 418.494 1.818 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCc2cc(C#N)ccc2F)CCS(=O)(=O)CC1 1126461513 ICYXPWBISWOYMT-UHFFFAOYSA-N 410.467 1.850 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1129628006 PFVIRCRZVRQWIR-INIZCTEOSA-N 421.475 1.165 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1132491815 VXGWGXIGJUMLNR-UXHICEINSA-N 409.483 1.670 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)n1 1132801414 QVMIUNBUGVJCNR-YFWYWMRJSA-N 403.442 1.889 30 10 HDEE C=CCN(C)CCN(CC)C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1 1139870055 XARUUCMKTUJBEB-VAWYXSNFSA-N 414.550 1.866 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3c(O)nnc3O)cc2)c1 1140222691 YWFSFUIDWZFTII-UHFFFAOYSA-N 412.427 1.728 30 10 HDEE Cn1cc(Br)c(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1141105553 SXQIXSHESZCBBG-UHFFFAOYSA-N 415.244 1.549 30 10 HDEE CC(C)N1C(=O)CC[C@H]1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1146296719 AMAUFPZYJZRSGP-IBGZPJMESA-N 406.490 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NCC3CCN(CC#N)CC3)=NO2)C1 1146578762 IUUWKDKMWUUWKZ-NRFANRHFSA-N 419.526 1.884 30 10 HDEE N#Cc1ccc(NCC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc1 1151314940 UEJSGJRWIBVHIY-OALUTQOASA-N 404.474 1.080 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 1158516107 JYGUFNJBSSEOIU-RBUKOAKNSA-N 405.539 1.695 30 10 HDEE C[C@]1(C(F)(F)F)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1174601098 LMVPNJQIGSLVOJ-RDTXWAMCSA-N 424.379 1.943 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180099611 HBULRTDKVZXXDF-HOCLYGCPSA-N 407.430 1.546 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H](CC#N)C1 1196038940 HEKVVETZXKOVGS-DLBZAZTESA-N 420.535 1.660 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)C(=O)OC 1212123465 NLQAMYJEIGMLJO-ZDUSSCGKSA-N 411.373 1.947 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 1215409542 YPFMTESYCUNIMC-UHFFFAOYSA-N 402.476 1.658 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 1225939391 ZLULTPINZGXUDF-ARFHVFGLSA-N 420.514 1.335 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)NCC1(C#N)CC1)OC2=O 1227406477 IYNHHDLGOSQRJN-AWEZNQCLSA-N 406.483 1.922 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccnc(-c3ccccc3)c2)CC1 1253850241 ZCFPWUXAAINAGW-UHFFFAOYSA-N 413.503 1.043 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259115471 QVRJRSUZZPIOET-KRWDZBQOSA-N 415.899 1.862 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1286303791 SPIKOLGSKIYCBS-XHSDSOJGSA-N 417.535 1.779 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1286350222 XKPALLFRVZLCLV-IAGOWNOFSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1286397486 ABWOCGJLWVECNR-UONOGXRCSA-N 407.521 1.261 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1286406929 ADOMQFFVUMDWTJ-SFHVURJKSA-N 404.474 1.040 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C[C@H]1CCOC1)C1CC1 1286493502 CSPNVKLNYHPPIV-MRXNPFEDSA-N 403.552 1.886 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286537906 JKZXGFQOVPZDSE-GUYCJALGSA-N 410.316 1.797 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 1287988506 DHLWENPBJWPXKO-UHFFFAOYSA-N 422.507 1.066 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1288517201 ANSNGOFCZIBMDZ-LBPRGKRZSA-N 420.495 1.321 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCCNS(C)(=O)=O)CC1 1288985906 GMHZKFWTAWKSEN-OAHLLOKOSA-N 410.544 1.241 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)on1 1290971552 WACXFTWHERRDIA-VQIMIIECSA-N 402.455 1.392 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1 1292742356 BIPDIYGHYRAZJR-RDJZCZTQSA-N 411.462 1.267 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1292911087 SLJDRNJFXBFPJK-LNWMTBOKSA-N 407.467 1.174 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@H]32)c1 1295287273 YPVZDFVWJWHHCB-DFQSSKMNSA-N 404.532 1.807 30 10 HDEE CCN(CC)[C@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1295390160 KOEXUGZKYIENDS-LVCYWYKZSA-N 420.558 1.778 30 10 HDEE CCC[C@@H]1C(=O)NCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296004349 SWPGOLUIGCWEJV-MRXNPFEDSA-N 405.296 1.884 30 10 HDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1300000757 PLEIABQRVIYVLI-GDBMZVCRSA-N 411.455 1.160 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1300362172 MOJGGFNUHCYWFI-QGZVFWFLSA-N 424.553 1.956 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1300483965 PSUXFUZNFBKFNI-INIZCTEOSA-N 401.448 1.815 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300496074 NMTODBICLKCOJD-JKSUJKDBSA-N 410.565 1.328 30 10 HDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC)[C@H]1CCS(=O)(=O)C1 1300504870 UYIXNFTXYXNONU-KRWDZBQOSA-N 413.503 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1300545429 PQTVZTLSCBRBIY-UHFFFAOYSA-N 421.501 1.004 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCc1nnc(C)s1 1300590412 AXMBLJRTPFGGJB-UHFFFAOYSA-N 411.535 1.656 30 10 HDEE C=CCCOCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1301260141 XEYVTUITMPCETJ-OAHLLOKOSA-N 416.530 1.700 30 10 HDEE CNC(=O)CC1(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCCCC1 1301288797 RLECXQVNDCCQIO-UHFFFAOYSA-N 420.535 1.613 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301329330 CVIXOSWTOZOSJT-KRWDZBQOSA-N 416.551 1.700 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@H]2CCOC2)CC1 1301506015 FGGKVVYNENXMNE-SFHVURJKSA-N 410.522 1.819 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCOC[C@H]1C 1301585579 CVTKHOFPNRLEDL-QGZVFWFLSA-N 404.536 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1301586330 GFFTVWQFUJYWCJ-UHFFFAOYSA-N 417.535 1.404 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1302095940 GHOMOEZCAIQLHQ-QZTJIDSGSA-N 420.558 1.995 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CC(F)(F)Br)c1 1302986108 FDLBDVFNOVGYID-UHFFFAOYSA-N 411.210 1.741 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCC[C@H]1CO 1303367281 OGTSYIDZFIZZAQ-JXFKEZNVSA-N 421.521 1.095 30 10 HDEE Cc1csc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)n1 1304629663 AVWHUPWVWJZMJB-UHFFFAOYSA-N 414.516 1.865 30 10 HDEE C#CCN1CCN(C(=O)CN(C)[C@@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 1307955035 PIGYGCNCVOMDCR-GOSISDBHSA-N 412.317 1.917 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C 1309079513 MYDCQQYXRCJYPE-ZBFHGGJFSA-N 424.544 1.358 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 1313417958 GRZQRFXOAUUWSW-ZDUSSCGKSA-N 423.491 1.648 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1314683298 JHXPWVLCIKWHCS-IRXDYDNUSA-N 414.535 1.991 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)CN1CCOCC1 1316269399 GBWHCIHJLOTWIX-XWSJACJDSA-N 420.558 1.566 30 10 HDEE C#CCC1(C(=O)N[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1344302307 NMHAKVPBBUGRSV-QEXSQPQCSA-N 400.519 1.631 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)CC1 1350024125 URIGFESNDDSROX-QZTJIDSGSA-N 401.511 1.539 30 10 HDEE COC(=O)c1ccn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 1350735988 WFBKOUBKOOCJFV-PGMHBOJBSA-N 419.463 1.121 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)n1 1358894610 SGTLBEDNEVMZFD-INIZCTEOSA-N 403.494 1.736 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1358927775 JGNSNACIFHRJAN-RTBURBONSA-N 409.490 1.927 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOCC1(C)C 1358952340 HLROUICVOUDLOZ-UHFFFAOYSA-N 416.551 1.450 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1359025373 LXLLHXVYKUUDMB-VGOFRKELSA-N 414.506 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCO2)CC1 1359031102 PYZXGIJXLXHMBX-WIYYLYMNSA-N 403.527 1.253 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359049878 XVMHFSVSAVLHOR-KRWDZBQOSA-N 406.600 1.805 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1359113550 KZMQVWUDPPVZPK-LSDHHAIUSA-N 409.556 1.497 30 10 HDEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1359140151 QBQIYDRLJUIEMJ-SFHVURJKSA-N 422.533 1.727 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359230218 KAGPTMMTRVIQQD-WDSOQIARSA-N 421.542 1.652 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359287526 IFNUMIKZVQIZGK-ZBFHGGJFSA-N 406.512 1.161 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(CS(C)(=O)=O)CC2)C1 1359318986 QGBMPSUQFTXJIG-KRWDZBQOSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359331130 OGNLTBZLJPOULU-OAHLLOKOSA-N 408.528 1.141 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCOCC2)n1Cc1ccc(C#N)o1 1360660614 FXZRXHAGDJQCNG-CYBMUJFWSA-N 422.511 1.264 30 10 HDEE COc1nc(N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)ncc1Br 1445217373 BEYLCGATKKZBIU-UHFFFAOYSA-N 406.284 1.980 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2C(=O)OC)s1 1448195080 SDNNWTRCQFWZAV-UHFFFAOYSA-N 408.501 1.858 30 10 HDEE CN1CC[C@@H](N2CCC(NC(=O)c3ccc(Br)cc3C#N)CC2)C1=O 1449171362 BSGYOCCCRHMYOE-MRXNPFEDSA-N 405.296 1.746 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)COc1ccccc1C#N 1451289900 FBMGHPDMUBZLRS-UHFFFAOYSA-N 407.423 1.261 30 10 HDEE C#CCN(C(=O)c1c2ccc(Br)cc2nn1C)[C@H]1CCS(=O)(=O)C1 1456089274 ZVLYLUBEWYUMAD-LBPRGKRZSA-N 410.293 1.598 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN[C@H](c3cccc(OC)c3)C2)c1 1464888059 WCTNWUGPEMIAGS-FQEVSTJZSA-N 415.515 1.946 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1Br 1467382225 DKKWBCLUYILIIO-WCQYABFASA-N 400.298 1.768 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468557400 DKACLQFNEDCBSO-HKUYNNGSSA-N 420.556 1.740 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(C2CCOCC2)n1 1470203050 TVOPDAMDGMLUEL-CYBMUJFWSA-N 403.464 1.412 30 10 HDEE C#C[C@@H](NC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccc(Br)cc1 1470663080 KLVNQEWQMDODSJ-HZPDHXFCSA-N 420.307 1.796 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCC(=O)N3CCOc4ccccc43)cc2)c1N 1471844015 ZFAHSLJQQKCBQN-UHFFFAOYSA-N 402.414 1.482 30 10 HDEE COC(=O)C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 1471909158 LARBOOHBLBVXSC-OAHLLOKOSA-N 407.492 1.353 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1475491339 FQDXVDUXTSDLIG-UHFFFAOYSA-N 404.517 1.631 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1502727837 CYCQUPHTAMWLAM-YWZLYKJASA-N 419.432 1.985 30 10 HDEE CN(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503405664 ZAPAFEIXORKNDP-OALUTQOASA-N 417.558 1.274 30 10 HDEE COCCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504895113 HUWYZGPJMIKOQL-UHFFFAOYSA-N 421.509 1.151 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)CC1 1505120458 GCCLOGRERZROFP-MRXNPFEDSA-N 419.482 1.314 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1505145097 FJKFGWJBAHVYOU-UHFFFAOYSA-N 413.507 1.496 30 10 HDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507577815 UTOROOOHTMOREK-HDICACEKSA-N 414.462 1.946 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1occc1C 1507617801 BIJYGLYTUQMQFY-UHFFFAOYSA-N 409.494 1.931 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507623688 VRYKIGQGBCFNRY-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(Cl)cn1 1507642509 VZUMPENNUYVALT-FQEVSTJZSA-N 416.913 1.942 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCN(CC)CC1 1507670358 ISIYOBINLSSPLT-OAQYLSRUSA-N 419.577 1.753 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1507677604 CPZXLKJGJSWBQF-UHFFFAOYSA-N 400.449 1.858 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1 1507783129 CDYRCHSWLVWHLG-LSDHHAIUSA-N 412.332 1.602 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1507813175 VLRVMYPRQREHDQ-AWEZNQCLSA-N 408.528 1.743 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1507965941 SKSWBBZYLXWTQI-MSOLQXFVSA-N 404.559 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1508149438 VBOHOMSVDKWJSI-FCEWJHQRSA-N 412.556 1.766 30 10 HDEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1514448172 BLCLLSLPZGBEJJ-HXUWFJFHSA-N 417.535 1.993 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1517069202 AHTWCHNSIFYLMR-NRFANRHFSA-N 412.494 1.319 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1525799055 PRHVVSCKMSNQQA-WMZOPIPTSA-N 423.491 1.717 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(n2cc(Br)cn2)CC1 1533849692 RFDPIYRBDVMGNE-LBPRGKRZSA-N 416.283 1.534 30 10 HDEE C#CC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCCC1 1536325099 NITAKCXMQRPXMI-HNNXBMFYSA-N 402.472 1.686 30 10 HDEE Cn1ccn2c(CCNC(=O)c3cccc(C#N)c3Br)nnc2c1=O 1537834244 NWKTVJFCVLLDEU-UHFFFAOYSA-N 401.224 1.035 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539231371 RSKTYDSLWZJMBZ-KSZLIROESA-N 424.567 1.675 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539231831 XHLWYTDUTHSDGT-HZPDHXFCSA-N 408.524 1.061 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCC 1539232536 HCHMSNZIGWNARK-UHFFFAOYSA-N 415.457 1.840 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@]2(O)CCSC2)n1 1539423615 AOUSAULJEAAGMC-FQEVSTJZSA-N 418.567 1.752 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(SC)CC2)CC1 1539463274 XTOYBTCEWOAYTC-IRXDYDNUSA-N 405.568 1.653 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)(C)C)CC1 1540869009 ZDYKYAQGMJWISP-UHFFFAOYSA-N 400.531 1.291 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOCC2(CC2)C1 1540873089 MFHFWKFNKUBOLV-UHFFFAOYSA-N 402.524 1.553 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1540873282 STRMDAIJDQUCGO-LJQANCHMSA-N 410.522 1.962 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1541513044 FYMOXMHPMHJTDR-JKSUJKDBSA-N 415.542 1.910 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2COCCO2)CCOC1 1541721470 XSVHENLFERXCJS-NQIIRXRSSA-N 419.526 1.864 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1543504797 BHVYSCDQQNYYJE-GPMSIDNRSA-N 424.505 1.821 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1544025770 OZRMCHQIKJDLRC-UHFFFAOYSA-N 410.544 1.230 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1545147780 CMTZWIAPFVAGDE-VHKYSDTDSA-N 419.432 1.978 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1554460920 CUJHINBCQYNBFR-NRFANRHFSA-N 412.494 1.585 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1555185240 GVTSDJCZCGWSDB-YRNRMSPPSA-N 404.515 1.598 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1555637953 YXIKBYODHNCDPI-VLIAUNLRSA-N 416.457 1.591 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC 1555753570 RUBVSQHXDLCGEN-LNLFQRSKSA-N 413.478 1.788 30 10 HDEE C=C1CN(C(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1557456530 MFJMPSHPKJSSBA-UHFFFAOYSA-N 418.519 1.408 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1558330323 ZSOXMHDZGADHNH-HZPDHXFCSA-N 415.490 1.279 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OCC 1561574029 LIOJPJBZZLOBEK-AWEZNQCLSA-N 403.522 1.883 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)C1 1564258954 XCMYFMNUOBPJRU-KRWDZBQOSA-N 411.531 1.970 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1566155519 USXRIBQLIQLKFG-ZDUSSCGKSA-N 419.388 1.207 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](NC(=O)NC3CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1567325480 CRBGSLFZSGTDII-KRWDZBQOSA-N 413.327 1.970 30 10 HDEE C=CCC[C@@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OCC 1569187094 PAUHGBVQTNFNPF-GFCCVEGCSA-N 403.435 1.578 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1 1583820608 JGUQWRXHODWWOF-UHFFFAOYSA-N 419.482 1.487 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)c1 1584747265 CCGZECRGBZNUFK-WBVHZDCISA-N 421.471 1.050 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1585416587 QBSRDQRPSNJUKF-QGZVFWFLSA-N 404.488 1.793 30 10 HDEE C=C(C)C[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1587305564 RNPLAZVTQFEUSW-JBVUFVISSA-N 415.490 1.524 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1587856616 NYYXTHIDFMHMKB-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1587909906 XJOXSVASYXBFDD-HNNXBMFYSA-N 403.508 1.571 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccsc1)N(C)C 1587990622 ZHNKSPCZCIBEAM-JKSUJKDBSA-N 407.565 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCCN1CCOCC1 1588238493 YASIQWRGPBDVPG-UHFFFAOYSA-N 406.534 1.839 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCOCC1(C)C 1595290426 FHPJVMXZDKXAQQ-UHFFFAOYSA-N 403.531 1.428 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595516772 IKLYUQZZHMNHOX-INIZCTEOSA-N 403.508 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CCCC2)C1 1595821410 BMOHJJUKOPLFFM-UHFFFAOYSA-N 421.567 1.772 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1595900858 LMHPPRGXLXVBNS-INIZCTEOSA-N 403.556 1.726 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2cncc(C#N)c2)C1=O 1596862767 XHQNRXTYMSMHMI-LJQANCHMSA-N 415.812 1.829 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)C1 1611767147 IDHSESPLQNRMRO-GPMSIDNRSA-N 407.540 1.737 30 10 HDEE COCCN(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1619881684 BVGTZYIFGPFGFV-UHFFFAOYSA-N 400.483 1.144 30 10 HDEE C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCc2c(sc(N)c2C#N)C1 1620642555 AEQROYLRIIUUAL-LLVKDONJSA-N 404.517 1.991 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1620674529 AKOLPAGSCUIUCM-NVXWUHKLSA-N 415.437 1.616 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1622318043 GLJXKIAYNQDAPY-LBPRGKRZSA-N 406.298 1.527 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1622318534 VWOOBPOQIBGIBK-VIFPVBQESA-N 408.245 1.427 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(CC(=O)OC(C)(C)C)CCCCC2)C1=O 1625931504 ASHJZEVLQXMJSY-UHFFFAOYSA-N 407.467 1.514 30 10 HDEE C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655242 AMWUVDCXJNOMRS-WQGACYEGSA-N 413.293 1.613 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)c1 1628168560 VJZFQGYVMITAHN-UHFFFAOYSA-N 422.409 1.892 30 10 HDEE C[C@H]1CCC[C@@](C#N)(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1628602049 GBUMVLWYENABEE-SUNYJGFJSA-N 401.529 1.903 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1 1629003142 WXWSTAQZPYSBBA-KRWDZBQOSA-N 406.529 1.621 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCS(=O)CC1 1632787849 MIDALHDDZLIEMB-KRWDZBQOSA-N 403.504 1.983 30 10 HDEE CNC(=O)[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1633416234 NRCGNDJCNJZNGH-GFCCVEGCSA-N 405.296 1.742 30 10 HDEE CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)NCC(=O)NCC#N)cc1 1634922120 OATJXGXJUPHVHG-UHFFFAOYSA-N 404.467 1.279 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)o2)cc1 1635341063 FVHJUQOAYDVOEI-HNNXBMFYSA-N 404.444 1.352 30 10 HDEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1636189031 PRRUYKJDHHOZFY-KRWDZBQOSA-N 407.492 1.896 30 10 HDEE C#C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccc(Br)cc1 1636542442 WVAIDTGQERQEFY-CQSZACIVSA-N 411.281 1.174 30 10 HDEE C=CC1(CC(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CN(C(=O)OC(C)(C)C)C1 1639121672 VERPUADUKNQLMV-UHFFFAOYSA-N 409.527 1.895 30 10 HDEE N#Cc1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)c[nH]1 1639885152 URNJCBKCDDTLOJ-CQSZACIVSA-N 420.210 1.804 30 10 HDEE Cc1cc(OCC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1Br 1641970325 HAOZCLXBEFCFIL-UHFFFAOYSA-N 407.224 1.087 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)OCC 1643652213 LRXDIZATOXMUHA-AEFFLSMTSA-N 424.519 1.772 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1644429327 UKYUZJGRESKAIN-GOSISDBHSA-N 414.502 1.472 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Cc3nc(C)no3)C2)c1 1647986846 UAQCFJXSYNDUEC-OAHLLOKOSA-N 404.492 1.937 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1652016856 FVDGRUPMALURNN-QRWLVFNGSA-N 414.499 1.653 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1655406610 PYPASVIQJYPNPC-QGZVFWFLSA-N 416.526 1.660 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 1656883935 PCBGMKVVDSKDDU-NSHDSACASA-N 402.270 1.733 30 10 HDEE CCOC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1659679846 AFWHMJAMVRNRMH-UHFFFAOYSA-N 414.487 1.782 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1664253492 BFUHBVIASAKFSV-AWEZNQCLSA-N 403.460 1.395 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1666053490 QPXAHEJIYDCLHJ-INIZCTEOSA-N 414.572 1.250 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1672932368 SMMXSFAMEJDHFZ-APWZRJJASA-N 419.547 1.659 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 1676031396 YMWBJFTYLLZALJ-UHFFFAOYSA-N 414.528 1.115 30 10 HDEE COc1cc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1C#N 1680912435 DMLVFHKQVPSGJZ-CVEARBPZSA-N 404.467 1.736 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc(Cl)cc3F)CC2)nn1 1683483078 MKHFJVUPYDTEJD-UHFFFAOYSA-N 406.849 1.924 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)CC1 1684361107 HRRFARYEBZNVTN-LJQANCHMSA-N 413.522 1.291 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1686000775 WWCHQFWPNBZXDV-GOSISDBHSA-N 406.508 1.313 30 10 HDEE Cn1cc(CNC(=O)N2CCC([C@H]3COC(=O)N3)CC2)c(-c2ccc(C#N)cc2)n1 1686078647 IIXABFNLHMLOEL-GOSISDBHSA-N 408.462 1.989 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CNC(=O)NCCn3cnc(C#N)n3)CCC[C@@H]12 1686408048 QIHUQUPMWZUBHR-AUUYWEPGSA-N 403.487 1.629 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1689835900 USDIBJTWKUDVMG-CQSZACIVSA-N 405.524 1.424 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1689996709 MOAHVCZGOYETJM-INIZCTEOSA-N 407.540 1.073 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1690029648 GTLMDYZGZIFFNH-NRFANRHFSA-N 414.579 1.414 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N(C)C2CC2)CC1 1690142424 NXHXMZIESCFOIL-KRWDZBQOSA-N 423.565 1.732 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(C)c2ccccc2C1 1690675423 ZYIOYJGWALJBGC-UHFFFAOYSA-N 423.521 1.159 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC)C1 1690688698 ZJKFZVKERQEJAL-UZLBHIALSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1C(C)(C)C 1690731639 PCLFMLZDJYJZRF-INIZCTEOSA-N 411.572 1.529 30 10 HDEE CC(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1692425294 FXJNXKKTRQJKSR-UHFFFAOYSA-N 408.510 1.650 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1693866576 GKINDMPSDIWJEM-NVXWUHKLSA-N 401.515 1.080 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1694746184 RZFKUIQEDLGCPQ-JOCHJYFZSA-N 407.522 1.513 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@H](CC(N)=O)C2)o1 1698488557 QFWAAYZZNFCLFX-MRXNPFEDSA-N 405.462 1.869 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1705475635 UEEQMOZGXMQJHV-GVDBMIGSSA-N 410.588 1.467 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1705555723 XDTZNANYBNCYMB-UHFFFAOYSA-N 423.546 1.983 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(N3CCCC3=O)c2)CC1 1705645037 JPQLYJRKHKARCG-UHFFFAOYSA-N 420.517 1.727 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)NCCc2ccccc2)CC1 1705650731 YOSHKZJKYYWIJT-UHFFFAOYSA-N 422.533 1.165 30 10 HDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)CCOCC1 1712198822 HMIUAHIGIFGZJF-UHFFFAOYSA-N 424.505 1.586 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1722331340 DOAOVURWGWIBQV-UHFFFAOYSA-N 423.565 1.832 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1722359611 PBCJHZBCTLABLC-OAHLLOKOSA-N 406.508 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H](OC)C(F)(F)F 1722371307 VEESNTKIODJRQV-AWEZNQCLSA-N 420.395 1.966 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1 1722499375 AYHREWWDNSLLNS-KDOFPFPSSA-N 411.528 1.791 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)C)CC1 1722502974 BRUSBTBMBGDAKC-LNLFQRSKSA-N 402.543 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(C)C)C1 1722729856 ZANBIJXPGBCJQT-SFHVURJKSA-N 419.551 1.726 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722870207 QQISAUFSTIQJJC-GDBMZVCRSA-N 422.580 1.808 30 10 HDEE COCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730438145 UTXUJMSHVYFKEI-AWEZNQCLSA-N 412.494 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1740557711 MZIOLBOJMPWYCR-LIRRHRJNSA-N 403.508 1.533 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1740567042 MYVYPKIQAURHQS-KRWDZBQOSA-N 410.588 1.612 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740594034 YYOUXNZLHDVRSI-SJLPKXTDSA-N 422.489 1.290 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CCCO1 1740607077 CGZSZINKCHYOML-LJQANCHMSA-N 402.524 1.877 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1740608619 BYGZCIHXPBHIAM-UYSNPLJNSA-N 409.556 1.678 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1740676145 TWQSLWYTHIGGBO-GOSISDBHSA-N 424.480 1.572 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F 1740684476 SITVTERFGIFGJZ-OAHLLOKOSA-N 421.423 1.975 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCC(=O)NC1CC1 1740723927 WBQPCPLPQZXHAT-JOCHJYFZSA-N 421.505 1.976 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCS(=O)(=O)N(C)C 1740733566 MNFAJRIBPQOGED-OAQYLSRUSA-N 415.563 1.947 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1740749794 FFPUHOOQVLMBEG-QAPCUYQASA-N 416.526 1.209 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@H]1C 1740990325 QSGANRWBNPGSLN-UONOGXRCSA-N 421.523 1.841 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1741142329 LEVNRJFZGSFVFJ-OLZOCXBDSA-N 417.495 1.449 30 10 HDEE CC1(C)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@@H]21 1741993288 HGENUMGKEOIVEW-IRXDYDNUSA-N 414.535 1.848 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2nncn2C)c1 1748694252 CBWMPWVFKIDCQS-UHFFFAOYSA-N 408.466 1.048 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1748755752 CBUKJTZXQBIOJW-IBGZPJMESA-N 423.565 1.714 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748756200 XFLIYXUNIBXQBM-MRXNPFEDSA-N 407.565 1.862 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1748857991 IZXXNRYZMXTHPD-YRVHBCJASA-N 410.499 1.775 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncn(C)n1 1748892574 RMXDFILUFNXLIK-SFHVURJKSA-N 403.446 1.430 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCOC1 1748945456 SYVHSPINJUMVSC-DYESRHJHSA-N 400.454 1.712 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(n1)CCCC2 1748961251 ZCNAXNUVNLICPE-LJQANCHMSA-N 408.506 1.637 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCOCC2)C1 1750378879 OSKRPOUDGFZGDX-OAQYLSRUSA-N 413.501 1.818 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)C1 1750380757 YJRWSRNXCHFQQW-ZWKOTPCHSA-N 402.386 1.447 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760113403 UMYQLCQEGPBYAJ-HOCLYGCPSA-N 403.508 1.196 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCCC1 1760172959 DXXLSFGRCACQKC-UHFFFAOYSA-N 417.535 1.570 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1760181905 DKSNGDVVGULJNK-IAGOWNOFSA-N 416.551 1.802 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760253992 LINRUBOJLAGZFJ-LEWJYISDSA-N 415.630 1.820 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2([S@@](C)=O)CCC2)CC1 1760272113 ZGFOSXQWRFPEIO-GDLZYMKVSA-N 417.579 1.498 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCN(CC)CC2)CC1 1760388113 ZISRAXZKRGUAPB-LJQANCHMSA-N 415.586 1.803 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760408059 ZXIWFKJKWYGFCQ-HNNXBMFYSA-N 409.556 1.740 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1Cc1nnn(C)n1 1760480348 RWVTVHQVRRQWBJ-QGZVFWFLSA-N 405.466 1.418 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760510473 ZRWRSDONAPHETM-ZIAGYGMSSA-N 422.511 1.451 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCSC1 1760520008 XKXOYJZPZHFDNL-CQSZACIVSA-N 401.492 1.918 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)[C@H](C)C1 1760527280 QZMODEPIALZQGF-MRXNPFEDSA-N 421.505 1.250 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760527424 WSBHFSIMXVTWOW-DLBZAZTESA-N 400.527 1.862 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnn(C)n2)C1 1760537981 VDRMQYCNDQXNCL-ZDUSSCGKSA-N 401.862 1.347 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760559879 MDWJXWJUSKXXSZ-IBGZPJMESA-N 408.616 1.737 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnccc1OC 1764187073 CKVVSNDZACNYOY-INIZCTEOSA-N 413.482 1.377 30 10 HDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768470020 BNMRHCWDXRYOLT-RTBURBONSA-N 423.521 1.546 30 10 HDEE CO[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1769100750 IPPMWTIENPINMG-QNFDFVDRSA-N 416.526 1.864 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1769272334 BHBWEQHGQRIZDP-MRXNPFEDSA-N 411.445 1.645 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]34O[C@H]4C[C@@]21C 1848439828 PLMIRISYKHSLJZ-INKDJYCZSA-N 416.470 1.260 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCN(C)C1=O 1849512644 HDOYHWIWWYXKRX-IAGOWNOFSA-N 409.483 1.224 30 10 HDEE C=CCN1C[C@@H](C(=O)NCCn2nc(C)c(I)c2C)CC1=O 1850287162 JIWIGYBSXHTQDB-LBPRGKRZSA-N 416.263 1.255 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1ccc(C#N)cn1 1852957681 YPIWSYGMOYHWPA-UHFFFAOYSA-N 405.402 1.025 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1C 1852989315 WQRCDXWMCXCFAG-QGZVFWFLSA-N 404.474 1.667 30 10 HDEE C#CCCN1CCN(C(=O)CN(c2ccc(Cl)cc2Cl)S(C)(=O)=O)CC1 1853098891 DWCXLBGEWSWHEC-UHFFFAOYSA-N 418.346 1.927 30 10 HDEE CC[N+]1(C)CCC(N(Cc2nnc3c(-c4nc(C)no4)cccn23)C(=O)CC#N)CC1 1853539577 FLYDBKJYGOXGGE-UHFFFAOYSA-N 423.501 1.959 30 10 HDEE COc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCF)cc1 1853579160 DVHCXHOPHQJPTE-UHFFFAOYSA-N 407.423 1.816 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCOC[C@H]3c3cccnc3)CCC2=O)ccn1 1853810940 OHLOITWXRAOBJU-JXFKEZNVSA-N 405.458 1.801 30 10 HDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854083828 LLTJUYWKYMDAKQ-RBUKOAKNSA-N 417.531 1.373 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)CC2CCCCC2)C1=O 1854319008 MROCZZFCVOWDLL-LJQANCHMSA-N 410.522 1.957 30 10 HDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854404661 QGKKIUORGIMYGT-UHFFFAOYSA-N 419.503 1.601 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1856087624 FQUXPMZHDCFMDR-AWEZNQCLSA-N 405.445 1.920 30 10 HDEE CCCC[C@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235283 FEVYNRQSIYWXRW-HOCLYGCPSA-N 402.474 1.372 30 10 HDEE COc1ccnc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c1 1856413407 GSGKXROCXQAEOE-CQSZACIVSA-N 407.430 1.109 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1856458218 FMLMYCBHMQIDLF-SJORKVTESA-N 411.849 1.896 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccccc3F)C2)CC1 1857026151 IDOSDSXLUXIBDR-KRWDZBQOSA-N 421.494 1.699 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cnn([C@H]3CCOC3)c2)CCN1Cc1ccc(C#N)cc1 1857166804 ZVQMMYADFXXVKF-IBGZPJMESA-N 407.474 1.979 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cccnc3O[C@H]3CCOC3)C(=O)C2)cc1 1857379627 ZWWJMTYYQHNMIR-SFHVURJKSA-N 406.442 1.606 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)C1 1857410834 DRWKVCZIWDNICJ-PGRDOPGGSA-N 414.481 1.368 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)CCC#N)CC2)cc1 1858633095 UBROBTAQMALMQF-UHFFFAOYSA-N 408.524 1.152 30 10 HDEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1 1862629372 UPPNQYJAEZHFSY-KRWDZBQOSA-N 411.366 1.684 30 10 HDEE C[C@H](NC(=O)CSc1nncn1/N=C/c1cnc(N(C)C)nc1)c1ccccc1 1873505465 PECIQMODPHKDRI-BMYBCIMUSA-N 410.507 1.986 30 10 HDEE Cc1ccc(F)cc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889549729 JNRXIZXMYMZRDB-UHFFFAOYSA-N 423.554 1.555 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3cc(F)ccc3F)C(=O)C2)cs1 1890532204 LHJQOOOQWYRVEI-UHFFFAOYSA-N 420.441 1.822 30 10 HDEE CC#CC[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2029231084 RCKJLWZPMPMYPO-INIZCTEOSA-N 406.460 1.239 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1cc(F)cc(C#N)c1)C(=O)O 2195346280 PPHKKWPUFQLFLB-CQSZACIVSA-N 400.428 1.980 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc(Cl)ccc1C#N)C1CS(=O)(=O)C1 2197522035 CJPYJTVCFLZFHO-GFCCVEGCSA-N 414.871 1.483 30 10 HDEE COC[C@@]1(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2243379789 PDQNGQSHUULTCI-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247803459 DUKXTBBQHYCROY-KSFYIVLOSA-N 408.311 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247934604 CDWHHUSVIXDWCG-UHFFFAOYSA-N 418.303 1.373 30 10 HDEE CN1C[C@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2248434543 ZZMQMUIQIWVPAC-CQSZACIVSA-N 423.319 1.368 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250004047 GDFDBYQUDSWTRU-CVEARBPZSA-N 422.331 1.888 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258159653 YDJDDOOVUCBDNW-IAGOWNOFSA-N 408.476 1.272 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@@H](C#N)C1)NC(=O)OCc1ccccc1 2258162148 LYFJLNBAZNYBFG-JKSUJKDBSA-N 409.464 1.020 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267357303 TZSJZOQCKTTXTK-JTQLQIEISA-N 405.734 1.363 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[S@@](=O)CC2)OC1(C)C 2267371949 HPQNPTMZANZUSG-XMMPIXPASA-N 405.372 1.190 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CNCC[C@H]3CO)c2Cl)OC1(C)C 2281937012 UULFCKLPKFNDCO-CMPLNLGQSA-N 400.737 1.401 30 10 HDEE Cc1nc(C(=O)N2CCCS(=O)(=O)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282027286 OILURLPYNPCLEM-UHFFFAOYSA-N 400.331 1.011 30 10 HDEE CCN(C)C(=O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282310006 NZIQCUZDILWNDI-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CN1CCCC[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331370 MNLAURKHBSNFBH-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)C[C@H](CN)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859376 LQERBTOESDJIBX-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN(OCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284408975 CTHLPVCHGUUQMU-UHFFFAOYSA-N 405.665 1.276 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2300231059 SAICBEANBNEXKP-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE COc1ccc(Br)cc1C=Nn1c(S)nnc(CCC(=O)O)c1=O 2323022882 WDJQYQXFMIFWCC-UHFFFAOYSA-N 413.253 1.598 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)C#CC(C)(C)S(C)(=O)=O 2339634871 RUVTVBCLTQCGEP-UHFFFAOYSA-N 412.103 1.954 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360619934 CNROOZYHACZUKP-VIFPVBQESA-N 402.218 1.248 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)[C@@H](C)O2 2365200661 ADKKTPSPGQTFIX-GTYSZEQSSA-N 400.541 1.616 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]2CC[C@H]21 2365201185 GGMXHNIKHLBWSI-DEXNDLTESA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1 2365210833 LQTMUEZVANBECU-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2367801316 QTMCUSFMIYJYQI-JKSUJKDBSA-N 400.541 1.429 30 10 HDEE N#Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)ccc1F 12031507 NFZCTFRSGWCFBS-CQSZACIVSA-N 422.459 1.910 30 10 HDEE C=C(C)CN/C(S)=C(/C(=O)c1ccc(O)c(C(N)=O)c1)[n+]1cc(O)ccc1C 63858146 NAFWISUMYJFGRB-UHFFFAOYSA-O 400.480 1.897 30 10 HDEE Cc1cccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)c1 301347656 HVKPGJRJQJWCIZ-HXUWFJFHSA-N 400.504 2.000 30 10 HDEE COCCN(CC(N)=NO)C(=O)c1cc(Cl)ccc1I 317049576 WQKDKJNUTFXIIS-UHFFFAOYSA-N 411.627 1.780 30 10 HDEE C[C@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)n1cnc(C#N)n1 409729253 CQMVETODUBGPKC-LLVKDONJSA-N 402.842 1.947 30 10 HDEE C=CCN(C(=O)CN1C(=O)NC(CC)(CC)C1=O)c1nc(C(=O)OCC)cs1 409822574 GSFVXIRFVQWWOY-UHFFFAOYSA-N 408.480 1.949 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 436910357 NLASTYLYSQONHJ-OAQYLSRUSA-N 401.463 1.938 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 437511058 AIKNJLCTBVNWLY-SJORKVTESA-N 410.540 1.525 30 10 HDEE Cn1cc(C[C@H](O)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cn1 468647161 COPXBVUENAKVQS-AWEZNQCLSA-N 400.489 1.978 30 10 HDEE N#CCCSc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476808784 RSHGUHUAJRDVQE-MRXNPFEDSA-N 416.503 1.527 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 477635528 CRIGUNKNZHGEGS-LBPRGKRZSA-N 407.452 1.160 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 480782355 XDWHACIDHYKICE-HNNXBMFYSA-N 418.406 1.685 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 482170015 LNJQEUPVGXGEQB-KSSFIOAISA-N 412.471 1.147 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1C#N 489058988 GTSZLPCNOFKODV-LJQANCHMSA-N 404.467 1.753 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nccn2CC(F)(F)F)CC1 489576079 BTYBIWJXCPTDIJ-UHFFFAOYSA-N 413.425 1.824 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 492420118 RQAYIYKFMQGBJQ-FQEVSTJZSA-N 412.534 1.294 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 504016712 FXPWTEVVFZXLCK-QGZVFWFLSA-N 400.523 1.803 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508802974 UVLIESHTBWINHF-AWEZNQCLSA-N 423.481 1.686 30 10 HDEE Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2ncccc2C#N)CC1 508972028 WSOVQIRESCCFHC-UHFFFAOYSA-N 403.446 1.847 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 509010631 KAMVRFNWPJEERX-JXFKEZNVSA-N 422.533 1.929 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccccc1C#N 520625703 XOZMHLKSUDWSEX-UHFFFAOYSA-N 418.453 1.467 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccccc1C 521530484 ITHZGAWHQKBAKP-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C#N)cs2)c1=O 531131631 PKGVPZFSVJIYSU-UHFFFAOYSA-N 413.524 1.752 30 10 HDEE Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 542705314 RCUIOXKKKMLDNW-HXUWFJFHSA-N 418.501 1.894 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 543349811 OJVXMQFSXFSWQL-QGZVFWFLSA-N 416.478 1.686 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H](CN3CCOCC3)c3ccccc3)CC2)n1 546174485 WOSGPFXOHNLOOG-OAQYLSRUSA-N 420.517 1.858 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1F 552036603 GVRHOSUJWCLXJI-UHFFFAOYSA-N 419.453 1.997 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)c3ccc(CN4CCOCC4)cn3)CC2)nc1 589379978 QFZNWXNQVLNZCP-UHFFFAOYSA-N 406.490 1.579 30 10 HDEE CN1C[C@@H]2[C@H](CCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 590443041 JRKNCTMCHAXNPE-IEBWSBKVSA-N 402.520 1.121 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)nc1 609471344 UBCBXHDWKISACZ-QGZVFWFLSA-N 424.480 1.705 30 10 HDEE C[C@@H](NC1CCN(CC#N)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 619534647 UQDALTWVVQZAKV-LLVKDONJSA-N 401.330 1.735 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(C)cc2Br)CC1 728536269 QZQBORQJOXEKNP-VOTSOKGWSA-N 404.308 1.664 30 10 HDEE CCOC(=O)N1CCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 728935179 VPFSZGGIJWJRCN-UHFFFAOYSA-N 422.507 1.420 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 730723411 GSJMDBAQAMHWFS-KCPJHIHWSA-N 424.486 1.944 30 10 HDEE N#C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 732649128 BIKCNXPUCUUAHJ-GOSISDBHSA-N 402.520 1.286 30 10 HDEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732649634 MGCZYOKJBIISPX-CQSZACIVSA-N 421.427 1.891 30 10 HDEE C=C(COC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O)C(=O)OCC 734022698 IGVLHKBSRZHMSZ-RDTXWAMCSA-N 421.471 1.530 30 10 HDEE C[C@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 744947420 DANNGVADGIZDOB-FZMZJTMJSA-N 412.368 1.847 30 10 HDEE COc1ccc(C)cc1C1(CNC(=O)C(=O)Nc2cnn(CC#N)c2)CCOCC1 746376451 HSIQGNAHHKLUDA-UHFFFAOYSA-N 411.462 1.527 30 10 HDEE COc1ccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1C#N 747445711 WLDVWLNIUCKIGO-UHFFFAOYSA-N 422.445 1.187 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCC(=O)Nc1ccccc1Br 751733272 AYYLRWKCFPZNOE-UHFFFAOYSA-N 419.235 1.571 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 758701569 GHDHCLGYXWNHSS-ZTVNSKONSA-N 402.426 1.117 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2cccs2)C1 761015659 RRALIIUDPGSRHH-CQSZACIVSA-N 405.501 1.777 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(-n2ccnc2)c1 765310875 QBYMUXRCCASKBX-AWEZNQCLSA-N 410.459 1.122 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cn1 770026998 VNYYATRCNSCILB-QGZVFWFLSA-N 415.402 1.593 30 10 HDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)s1 772795133 JAKDXTDZYIPDOS-UHFFFAOYSA-N 420.516 1.838 30 10 HDEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 777469712 KMOPOUYFLMLEKC-HNNXBMFYSA-N 405.524 1.666 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 789322129 ADXLWEJXGUACLP-UHFFFAOYSA-N 417.473 1.661 30 10 HDEE CNC(=O)CNC(=S)NN=C1CCN(C(=O)OC(C)(C)C)C[C@@H]1C1CCCC1 793014337 ZCQAFGRXIPUWAI-CQSZACIVSA-N 411.572 2.000 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 800053473 ZGAWPPQYSMYTDB-OAHLLOKOSA-N 404.533 1.472 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCc3scnc3C)cc2C1=O 803022196 BQWXNOUSTCURFT-UHFFFAOYSA-N 419.484 1.536 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 805114097 QCLTUOCTNCLANJ-IRXDYDNUSA-N 408.524 1.981 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)c1ccc(Cl)cc1F 811918046 VZXTWUYEKRKCME-INIZCTEOSA-N 416.906 1.677 30 10 HDEE C[C@H](OC(=O)c1cscc1C#N)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 814611582 USJOLWXUIXUCSP-NSHDSACASA-N 407.473 1.171 30 10 HDEE COc1cc(I)c(C(=O)N[C@@H]2CCN(O)C2=O)cc1OC 820174777 MQJZHLYAYMCSEI-SECBINFHSA-N 406.176 1.028 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(C)n1C1CC1 838519803 FVADMZLHUXYRLA-UHFFFAOYSA-N 423.542 1.022 30 10 HDEE C[C@]1(c2cccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)NC(=O)NC1=O 1116902567 HYCKYRMLTCZFGS-JOCHJYFZSA-N 414.425 1.729 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CCOC[C@H]2OC)c1 1125418776 MNNDGDGJKVXVFT-AZUAARDMSA-N 400.475 1.301 30 10 HDEE O=C(NCCCC(=O)N1CCN(c2ccccc2)CC1)c1cccc(C#CCO)c1 1136817339 MOUJXPVGSAPQRP-UHFFFAOYSA-N 405.498 1.889 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(O)c(OC)c1)C1CC1)c1cc[nH]n1 1137470326 RTPXKKRNGLOGQD-UHFFFAOYSA-N 416.434 1.599 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nccc2N)c1 1141878555 ZZPBZEJWSWJGKD-XLNRJJMWSA-N 404.496 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)=NO2)C1 1151625036 HISBVPIWCUAQMI-IERDGZPVSA-N 417.510 1.731 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(N[C@@H]3CCOC3)C2)nnc1-c1ccco1 1179008668 PRCYYBBKJASYGH-CQSZACIVSA-N 403.508 1.796 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(F)(F)F)nn2C)c1 1185616179 XUQLZKQLGNIONK-UHFFFAOYSA-N 400.382 1.679 30 10 HDEE COc1ncc(NC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C#N 1209050648 GTEDYANISRCKEI-OAHLLOKOSA-N 404.471 1.634 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)N=[S@@](=O)(c1ccccc1)C(F)(F)F 1211187592 VSADRFMFXQOMJJ-XMMPIXPASA-N 420.456 1.469 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(C(=O)c2ccsc2)CC1 1252373688 AQQYNQUEYKTFNT-ZCXUNETKSA-N 402.476 1.339 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1286290633 UFKRXEMGRDDCKO-LSDHHAIUSA-N 400.483 1.184 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1286299812 IKYGUYIQOXBKOQ-HOCLYGCPSA-N 416.551 1.587 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1286416799 YHJRJRWUFWMUMR-INIZCTEOSA-N 422.455 1.358 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)NC1CC1 1286426481 WSWTVDFEVAYCIB-UHFFFAOYSA-N 422.489 1.528 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1286442789 MTWBQHIKESWMLO-UHFFFAOYSA-N 421.505 1.832 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(C)C 1286465723 RENGGTAZUYCIOY-RBUKOAKNSA-N 410.522 1.618 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1286606221 JTAWFSXLXKKGHF-UHFFFAOYSA-N 414.510 1.712 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)(C)C)CC1 1286791279 XIVZSWPANDVJAM-UHFFFAOYSA-N 417.558 1.013 30 10 HDEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1288630003 DFOXDNRZKLZYHG-QKKBWIMNSA-N 424.484 1.584 30 10 HDEE N#Cc1sccc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1290054149 RMIRYDIIPVVBRE-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE CCN(CC)[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(OC)c1 1290523130 GBIYPAGPHDJDFJ-SFHVURJKSA-N 413.478 1.419 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCCO1 1291278808 CJOQNKMSFWGIQQ-OPAMFIHVSA-N 424.505 1.822 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)s1 1292433105 NGPPMLCSXDIQOL-UHFFFAOYSA-N 404.477 1.574 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC2(CCC2)C1 1293033130 TVHDHLUCQYKFQK-NXVVXOECSA-N 418.494 1.857 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 1295454721 CHCFTDGIEMMYSK-CQSZACIVSA-N 404.529 1.856 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1297706355 RXTVDAPJQLDGSH-OAHLLOKOSA-N 422.503 1.650 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1300307331 FAAHTLIKZFVIAB-UONOGXRCSA-N 407.565 1.900 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H](C)C1 1300430045 GEOWGNVGYPGCBP-SJORKVTESA-N 410.588 1.470 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300494108 YTUGUNBXPPOASS-GOSISDBHSA-N 414.535 1.806 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1300526546 JBOQPIINFAHHTP-UHFFFAOYSA-N 408.481 1.321 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1ccnc1C 1300554790 JQDWQFPZCAFIDD-UHFFFAOYSA-N 402.462 1.593 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1300622422 YJHVWVJKNMDEDG-INIZCTEOSA-N 421.505 1.774 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1300630925 JTMWSJKVAOORFZ-KURKYZTESA-N 423.583 1.897 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 1300700055 LFCMGKBQONEQPR-HNNXBMFYSA-N 401.433 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N(C)C)CCCC2)CC1 1300730704 FABGLTIORDCKMW-UHFFFAOYSA-N 416.570 1.655 30 10 HDEE COC[C@H](F)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301067072 DWXDXTSRGBIICW-MRXNPFEDSA-N 416.505 1.455 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301222704 DKCPQGLHKHAIEX-KBXCAEBGSA-N 409.512 1.177 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CCC2)C1 1301566021 JAHAQMZFRMBMJM-BCOMRZATSA-N 421.567 1.483 30 10 HDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1303183076 PRWTYUQTJDNYKL-ZZEZOPTASA-N 415.542 1.706 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1303441163 JZUMSFSSQMFIND-HTXNQAPBSA-N 415.498 1.033 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCOCC2)c1 1304511771 BCFNCPLYCKWMHI-GOSISDBHSA-N 413.478 1.436 30 10 HDEE C=CC1(CC(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)CN(C(=O)OC(C)(C)C)C1 1304848387 UHDLBJMGYLFXJW-GJZGRUSLSA-N 411.499 1.365 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CCOCC1 1309661796 LEDOAFGPWYMOPU-UHFFFAOYSA-N 414.549 1.875 30 10 HDEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)s1 1312585686 NEJTXGNRAKXYRU-UHFFFAOYSA-N 400.432 1.676 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COC)C1 1314529466 GEXPBJUMJISDRP-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1314638414 CSEXHTIKGIBLDF-SFHVURJKSA-N 417.473 1.958 30 10 HDEE CN1C[C@](C)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1=O 1314924678 ZFDCHUPQKXQYMJ-WSOZGMELSA-N 416.526 1.404 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@]3(C#N)CCCOC3)cc2)C[C@@H](C)O1 1349632155 UFBMDYVMIPLXJU-SPYBWZPUSA-N 407.492 1.743 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358926468 PZRHJDRIYZABQK-QGZVFWFLSA-N 416.551 1.701 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955493 MWYAZBNDUOFPKJ-RRFJBIMHSA-N 414.491 1.133 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358961769 DZVODLGPHBYQPK-JKSUJKDBSA-N 410.540 1.224 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)OC)CC1 1359034286 KMXWYSXHXUAQNH-UHFFFAOYSA-N 400.483 1.186 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1359055739 NYQAJTCSNFKLGJ-MRXNPFEDSA-N 413.551 1.920 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(CC)CC1 1359062512 KFJFVUHGYHIARL-PGRDOPGGSA-N 415.586 1.434 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1359280538 UMFNDEKYQSTKJS-UHFFFAOYSA-N 422.555 1.675 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359288541 KLQPRTWWSHMBOT-AWEZNQCLSA-N 401.496 1.293 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)C1 1359321210 BYTDPVKJGPXSGX-DOTOQJQBSA-N 401.467 1.473 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCSCC2)C1 1359324487 LYNKORCFDWPAAP-QGZVFWFLSA-N 420.583 1.231 30 10 HDEE Cn1c(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nc2ccccc21 1444083678 VAVDXMZRFKUQDQ-UHFFFAOYSA-N 400.435 1.982 30 10 HDEE Cc1nc(C)n(C2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1449380192 WFYAJLWPRIMJHC-KRWDZBQOSA-N 407.434 1.055 30 10 HDEE COCC#CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451441281 CRQBKNJSHPOVGW-SJORKVTESA-N 420.510 1.030 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@H](CN3CCOCC3)C2)CC1 1454288175 INDQBYLNDONKNE-LJQANCHMSA-N 421.538 1.197 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CCN(CCC#N)CC2)(c2ccccc2)CC1 1454903959 DUJMJSDJXKHCGX-UHFFFAOYSA-N 418.563 1.428 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 1463736961 GUOQQPIOCBCMAM-MRXNPFEDSA-N 421.567 1.925 30 10 HDEE CN1CCN(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)CC1 1467632573 UCCYAEGWANWHQQ-JQHMZKTJSA-N 417.554 1.231 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN(CCO)C(C)C)CC2)c1 1469303823 ZWFUWRLVLRDYOE-UHFFFAOYSA-N 421.563 1.153 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(CCC#N)CC2)C1=O 1471237354 QSNDZJQENJDVGU-LJQANCHMSA-N 421.860 1.304 30 10 HDEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1471659735 DLYQNAZRZUGXIR-UHFFFAOYSA-N 420.516 1.724 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1nnc2n1CCNC2=O 1471856778 GTOPKMFYJSTLMV-UHFFFAOYSA-N 407.434 1.044 30 10 HDEE C#CCOCCN(C)CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 1473350389 HHZNIRTVEFUDSE-UHFFFAOYSA-N 409.508 1.455 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)CNS(C)(=O)=O)cc1 1476041583 KQOOADTXVQQKQS-UHFFFAOYSA-N 408.524 1.950 30 10 HDEE CCCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1501340122 AKRPOTCSXILRSP-UHFFFAOYSA-N 418.523 1.967 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504998602 JZNLASSUPFKPRH-GJZGRUSLSA-N 408.503 1.036 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)OC)c1 1507551249 VVCLNMCCVUCQTN-YOEHRIQHSA-N 410.478 1.320 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507572160 AJKIRWFVMGMWCA-HNNXBMFYSA-N 411.466 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCCNS(C)(=O)=O 1507646308 CPKLBAJYASAPNQ-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1507691006 ZKBXCDDOESCJIG-MRXNPFEDSA-N 423.564 1.489 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnnn1 1507700596 RRXZWYFZJQFLGE-KRWDZBQOSA-N 423.456 1.085 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508088474 GMQGKPALPVSRBU-HOTGVXAUSA-N 402.499 1.023 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)CC1CCC1 1508132297 WTAHORRFUWJNHR-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1508148936 ZCXOSKXGKOAWGC-UHFFFAOYSA-N 415.523 1.546 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1ccc(C#N)o1 1509585276 RGQHGTGWKSIXCH-QWHCGFSZSA-N 422.511 1.187 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1509816698 AODWGYDDYYBPNR-LJQANCHMSA-N 419.507 1.400 30 10 HDEE CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1515418216 BDHIEKMUOHMMHJ-UHHPSXQGSA-N 402.499 1.933 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C[C@H]3CCC4(CCOCC4)CO3)CC2)c1C#N 1516423456 HAOGOWOISJOTDR-QGZVFWFLSA-N 401.511 1.615 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCCOC2)cc1 1521109804 FGDLQIPPNHVJOD-KRWDZBQOSA-N 410.478 1.482 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(C)(C)c2ccc(C#N)cc2)C1 1524954869 FTKPSSJJGHPOKM-SFHVURJKSA-N 407.536 1.735 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)cc1 1526224327 QBJFICDWCSVELC-MOPGFXCFSA-N 411.462 1.263 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1532420628 LSHQIUXRTYUZEO-ZDUSSCGKSA-N 404.410 1.577 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1534197634 CLWHHTSTOFUHQY-CABCVRRESA-N 416.544 1.504 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@@]2(C)C(=O)OC)ccc1F 1534858531 KAKCZWCYXFZPSD-ACJLOTCBSA-N 414.455 1.083 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cn2)cc1 1536218535 SCVCDUCCFBTHLI-UHFFFAOYSA-N 408.443 1.239 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1539023953 RDFYXPMEDQEICR-KSSFIOAISA-N 419.489 1.796 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539093579 ADNPILUIEPCJKU-JKSUJKDBSA-N 419.555 1.419 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCSc1nccs1 1539148494 LMSWXNQSTLOOLA-GFCCVEGCSA-N 414.582 1.597 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539427984 LDNVUGXZVMYOIV-RTBURBONSA-N 412.538 1.251 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCN(CC)C2)CC1 1539453420 KTVFAJHPRJNWOR-FQEVSTJZSA-N 422.577 1.975 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCC)CC1 1539459615 LULDYBDCXLLPOJ-IBGZPJMESA-N 413.570 1.030 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccn(CC)c2=O)CC1 1539476711 DEIUDJWUGLWRLC-UHFFFAOYSA-N 422.533 1.741 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCSC2)CC1 1539477483 OGSWCBQPWDCJKP-FQEVSTJZSA-N 403.552 1.379 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539506430 SLQLXUYLTBJGME-RHSMWYFYSA-N 418.494 1.811 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539517414 NFGAVJZNWQFMMX-RBUKOAKNSA-N 419.595 1.840 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1539646676 ZNYJBGAEPIPHSB-LMMKCTJWSA-N 419.526 1.406 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539821342 YHFCAXGHXXKIDF-RHSMWYFYSA-N 418.947 1.695 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1541997997 RICLREQUSYVOGW-MRXNPFEDSA-N 412.519 1.300 30 10 HDEE C=CCN(C(=O)CCc1c(C)[nH]c(-c2ccncc2)nc1=O)[C@H]1CCS(=O)(=O)C1 1542217264 VVXLTMJRKMYCAG-INIZCTEOSA-N 416.503 1.275 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C(F)(F)F)nc3ccccn23)CC1 1542894977 VDEOGXQGPUSOIK-UHFFFAOYSA-N 407.396 1.250 30 10 HDEE CCc1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546547445 QONJVKKDUYJBNO-XROPSADXSA-N 414.388 1.134 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1548335183 MARAPWVQQCOREG-UHFFFAOYSA-N 424.477 1.992 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1555989961 IPEXVTLPVLWMLJ-QGZVFWFLSA-N 401.515 1.082 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 1556504316 RZOUKUNFJCCFFC-UHFFFAOYSA-N 405.296 1.229 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCCN3CCO)C2)C1 1556714393 FVCQTASENJVYPG-RKQJOMJXSA-N 420.554 1.736 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1558142265 FMFZPPVMBBOJDS-UHFFFAOYSA-N 405.455 1.116 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 1568709330 DQJWVSKIFAOGLM-INIZCTEOSA-N 423.853 1.603 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 1583811523 GEACWFZMLHYMRY-CYBMUJFWSA-N 413.908 1.743 30 10 HDEE C=CCCSCCNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1583907219 CQRQUSVOKKNNLF-QGZVFWFLSA-N 402.520 1.962 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)c3cc(C#N)ccn3)CC2)cn1C 1585244931 YEPFOGJMSUOHEP-UHFFFAOYSA-N 402.480 1.059 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2nc(C(C)C)ncc2C1)c1cc[nH]n1 1585391587 LQCJAXIIUYWGEY-UHFFFAOYSA-N 400.439 1.192 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1587382364 HYZCJOPKEWEVBA-SFHVURJKSA-N 408.520 1.428 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1588055040 RSTJKNSFQPCBSO-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1([S@@](C)=O)CC1 1588620539 WZOFJCZLIDQKOU-MUUNZHRXSA-N 402.520 1.951 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2csc(CC)n2)CC1 1588806290 MAOFVFDYESYBNB-INIZCTEOSA-N 413.551 1.246 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCN(CC)C2)CC1 1588947929 ZBWMVAQWQOWHPC-GOSISDBHSA-N 400.571 1.784 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589406679 ZICWDMWWQVMBHT-QWHCGFSZSA-N 414.304 1.968 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594608513 NFEYGPHFPKLUSA-UHFFFAOYSA-N 419.555 1.952 30 10 HDEE C=CCn1c(N(C)CC(C)(C)CN2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1595453203 OCRKAORYXPJAPJ-OAQYLSRUSA-N 407.559 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1595501517 WXPNOROENCGHBF-IYBDPMFKSA-N 405.886 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](COC(C)C)C1 1595785391 ZEBAWTKYENRNHW-INIZCTEOSA-N 423.539 1.504 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(F)(F)CO1 1619914037 VEEJKZJSQCBJRD-MRXNPFEDSA-N 423.468 1.930 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCOCC(F)F)c1 1620348897 IXTOVDNFDBOOBJ-OAHLLOKOSA-N 417.420 1.312 30 10 HDEE C#C[C@@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 1625078449 YYMYBZMCPKGPHV-JOZWUWCOSA-N 402.248 1.350 30 10 HDEE C=CCNc1ncc(C(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)s1 1626947217 BHBZNHKMQGVZHA-GOSISDBHSA-N 401.448 1.862 30 10 HDEE CC1(C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](CO)O1 1630381135 BOBUFVPBKOOWQJ-HNNXBMFYSA-N 408.296 1.755 30 10 HDEE CN1C(=O)CS/C1=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1630385901 HZFPGWODFAAVKU-UITBBBLRSA-N 408.505 1.485 30 10 HDEE CC[C@@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1630984310 SDUAWJXHCLHWSA-AWEZNQCLSA-N 409.508 1.601 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2Cc2ccccc2)CC1 1632091826 KJBHFOYITMUWNF-OALUTQOASA-N 404.536 1.193 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc2ccc(F)cc12 1632394010 HBCLIUBCZOSCCZ-NSHDSACASA-N 402.407 1.822 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C(F)(F)F)c1 1632876042 CTLSAPCGAQUPPS-CQSZACIVSA-N 401.370 1.212 30 10 HDEE N#CCc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 1633131194 XHPHYJQRCLYPAW-UHFFFAOYSA-N 414.365 1.963 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636605248 OPRKWZGWYPWBDK-UWVGGRQHSA-N 422.326 1.054 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 1637715608 XJPTZCRFFUJREJ-INIZCTEOSA-N 400.456 1.970 30 10 HDEE CC1=C(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)Cn2nnnc2N1C 1638715183 VBSPLVFFJGLHJZ-UHFFFAOYSA-N 406.450 1.619 30 10 HDEE C=CCN(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)[C@@H](C)COC 1638897082 FKVBEFLQIDSDAK-CQDIZWNASA-N 402.513 1.118 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@H]([C@@H](C)O)C1 1638993355 VRCRZEMPRLJBNW-IAQYHMDHSA-N 413.268 1.706 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2)C(=O)OC 1639559385 ZJISJHSREVMZHL-DXIQSLLYSA-N 402.491 1.386 30 10 HDEE C[C@H](C(=O)N1CC[C@@](O)(CC#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1639946813 SXIWIVOZAMLYQX-QGHHPUGFSA-N 406.236 1.311 30 10 HDEE C#CC[C@]1(C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)CCCN1C(=O)OC(C)(C)C 1641745727 XUPVYAHMPWTUPP-JLTOFOAXSA-N 403.483 1.718 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 1643035261 RZIWHVWFPXXVNH-KRWDZBQOSA-N 411.462 1.761 30 10 HDEE CCCCN(CCCC)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1644133629 FSFLBNDUEKIWBQ-UHFFFAOYSA-N 420.510 1.652 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2)c(=O)n1CCO 1644184166 WBUWMAUHXCQEQQ-UHFFFAOYSA-N 418.453 1.416 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)cc1 1644902942 FGCDKURUFWBLOJ-IRXDYDNUSA-N 410.492 1.143 30 10 HDEE C[C@H]1CN(c2ccncc2)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1644945529 YEOFGTSMRWACKQ-INIZCTEOSA-N 413.503 1.624 30 10 HDEE COC(=O)c1cnc([C@@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)s1 1647660714 HURLXVLATMAIMU-OAHLLOKOSA-N 412.471 1.937 30 10 HDEE COC(=O)c1ccc2cc(CCNC(=O)CCN/C(O)=C3/N=CC=CC3=O)oc2c1 1647830091 IDQPTSFNHRUWJU-VXPUYCOJSA-N 411.414 1.795 30 10 HDEE C=CCC[C@@H]1CCCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1648526400 VGXZEYNVCQNBRV-LJQANCHMSA-N 421.563 1.754 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1649540449 WIEXRXQLRNYDSQ-RHSMWYFYSA-N 403.449 1.882 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ncc(Br)s2)c1 1650751615 OWZLTYMKKDNMEK-UHFFFAOYSA-N 414.306 1.747 30 10 HDEE CNC(=O)[C@@H](CNc1ccc(C(=O)OC)nc1C#N)Cc1ccc(OC)c(F)c1 1651981475 KFBGMHQLDRFHFZ-CYBMUJFWSA-N 400.410 1.904 30 10 HDEE C[C@@]1(c2cccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1652919004 CVCXHNJYHPSKNU-AVRDEDQJSA-N 404.426 1.827 30 10 HDEE N#C[C@@]12CN(Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]1CS(=O)(=O)C2 1654888983 NHFDNHJOTDWJMI-FZMZJTMJSA-N 400.254 1.727 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cc(C#N)cc1F 1655408489 CTMXJXSAXAYIQF-NSHDSACASA-N 405.423 1.343 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)n1 1672542900 WPIFEBYSYYWSQB-UKRRQHHQSA-N 405.256 1.430 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1679366191 YPIQFZKYKBQUBF-LBPRGKRZSA-N 411.471 1.531 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 1682295948 HLSLXMWZRQTQTF-JOCHJYFZSA-N 424.501 1.971 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1683129751 DJJHXYWLYUFEJQ-HNAYVOBHSA-N 403.479 1.879 30 10 HDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1684762063 ZORAGACLTXTEFG-UHFFFAOYSA-N 406.291 1.005 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686036002 MONQSFHGVUPGQS-HYJFEMIMSA-N 402.520 1.087 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1689851815 VWAPQXKKDXZZSL-BSDSXHPESA-N 421.567 1.444 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CC1 1689955330 COSDXYVQZHLCJZ-UHFFFAOYSA-N 404.492 1.609 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)CCC(C)C)CC1 1690109077 GDGWLLVIORXVOH-OAQYLSRUSA-N 404.559 1.359 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC(=C)Cl)n1 1690109426 QRSJIVTULAMBAK-UHFFFAOYSA-N 412.885 1.970 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC2CC2)CC1 1690146863 ZKGFDYNCWVCVOX-LJQANCHMSA-N 415.538 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)[C@@H](C)CC 1690189779 BMFMWZDSUCJEAN-TXPKVOOTSA-N 410.588 1.611 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690351326 PDHGMEGXAVDJSQ-IRXDYDNUSA-N 422.961 1.700 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CC)c1 1690619746 BIOAIHJSTIJPJH-UHFFFAOYSA-N 413.482 1.909 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCO[C@@H](C)C1 1690666274 YQHHWSLKYJZVOU-HNNXBMFYSA-N 413.478 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc21 1690671134 PLEXFKAJIPAYAP-OAHLLOKOSA-N 401.492 1.177 30 10 HDEE CCOC[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696361994 COVYWMJIXAVMDC-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CCO1 1696962519 KHAMKQIOUPAWQW-GOSISDBHSA-N 412.494 1.321 30 10 HDEE COc1cccc(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1697500926 GPSKPDWVGAQMNQ-QZTJIDSGSA-N 424.505 1.944 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)nc1 1698172090 UPOSVQOHZIUWQZ-HOCLYGCPSA-N 402.455 1.183 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705516427 BERXUDDSKFLFMO-MSOLQXFVSA-N 414.554 1.375 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1705552023 UPJDZPJNAZIYMX-QGZVFWFLSA-N 407.434 1.013 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705726982 VEEHZUVBHDIDIR-HNNXBMFYSA-N 424.596 1.976 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705806194 YOFGOKLPQQLLJD-QLFBSQMISA-N 410.496 1.651 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705875372 PQOCRWNHWQZFJL-NRFANRHFSA-N 416.547 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705899387 QNFDGHXGVIKBGY-ZHRRBRCNSA-N 422.489 1.503 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCOC1 1705934916 ANSWADCOVYYROA-QGZVFWFLSA-N 419.551 1.728 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)C(C)C 1706599045 GMILHZJEBONDPZ-UHFFFAOYSA-N 403.531 1.709 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1708146621 DYNHPOKHPQTPAU-CQSZACIVSA-N 401.430 1.997 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1709829531 SKJDCHKOPCOICI-QFIPXVFZSA-N 421.505 1.592 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCC(F)F 1710744524 GBNIMWZEQYXOPS-CQSZACIVSA-N 408.409 1.631 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1712567368 UTSXSWIKOKSASK-ZWKOTPCHSA-N 420.558 1.995 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C[C@H]1OC 1712682776 VNDHNUIEEPADGP-IYBDPMFKSA-N 407.421 1.948 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1722328471 VILBXTSMWRUQGI-QGZVFWFLSA-N 401.515 1.476 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722335631 VKTZYKOOFBSWFX-SFHVURJKSA-N 421.549 1.466 30 10 HDEE C#CCN(c1nnc(CC)n1CCN1CCCC[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722364663 ABKPZFKWQPGWAI-ZWKOTPCHSA-N 407.584 1.732 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)OC)CC1 1722449169 HPDQMJKMVLCWKA-QGZVFWFLSA-N 413.526 1.140 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC)OC)CC1 1722449744 YADBUEHSBLQPMT-LJQANCHMSA-N 410.522 1.655 30 10 HDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)CC1 1722460868 JQQMEIJDVYQKBJ-UHFFFAOYSA-N 405.474 1.840 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1722499454 JDKSZMFPHOWSLH-GOSISDBHSA-N 404.559 1.885 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)C1 1722711799 WSEPVSATTIGNNY-HOCLYGCPSA-N 423.539 1.928 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722727625 KDNVZXSFZPHJSJ-SJORKVTESA-N 424.567 1.514 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](F)COC)CC1 1740698860 NXEUZJHMLWQALC-OAHLLOKOSA-N 420.514 1.009 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740747678 RMLSGAWAVZXCPB-STQMWFEESA-N 423.315 1.024 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1740788445 SZMUOCYEWFIHNJ-UHFFFAOYSA-N 400.483 1.721 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1740843297 DKWGUUUQKPBZKV-KBPBESRZSA-N 413.544 1.490 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1743358920 OYZSWPWSYWDJQO-LZICOFPGSA-N 408.462 1.697 30 10 HDEE CCN1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1=O 1746424166 XSBCTYZBTALULS-OAHLLOKOSA-N 416.482 1.574 30 10 HDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1747536977 JAJGPECFRXYQIE-HXUWFJFHSA-N 413.482 1.614 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748801503 BEFQHHHUKPKUCS-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748811102 BQPDAVAKKMNJPJ-SFHVURJKSA-N 422.514 1.719 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748823746 AXLPQALUFSFBCD-WCXIOVBPSA-N 410.515 1.895 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nncn2CC)CC1 1749342516 HOVCFNLIXISQCG-HNNXBMFYSA-N 405.528 1.242 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)C1 1750377321 ALDMVADLONUJJN-LJQANCHMSA-N 417.420 1.569 30 10 HDEE Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1751512511 HQUOKDDTVINXFK-UHFFFAOYSA-N 423.521 1.700 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCOC 1760114613 PTRIAOJPCNFECH-SPLOXXLWSA-N 410.478 1.839 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760186476 NUJWKDMUFHSLOG-ROUUACIJSA-N 407.584 1.445 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1760233973 HLVGKNQLCYPUFA-LJQANCHMSA-N 408.506 1.574 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(C)CCCO2)CC1 1760267905 FMYPAVGSIPTNMU-JOCHJYFZSA-N 408.506 1.875 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1760335524 NTSKLMBOYZSQEV-AOIWGVFYSA-N 411.510 1.821 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760442655 UDNGUIZCOLHBDI-HNNXBMFYSA-N 401.471 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)c2c(F)cccc2Cl)CC1 1760516007 UTRWYJIJNCEIRY-UHFFFAOYSA-N 420.876 1.644 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)C1 1760542261 FJBJLHNJWXRMAD-IAGOWNOFSA-N 420.539 1.248 30 10 HDEE CNC(=O)CCn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767811214 SKYZLDKLUZFHHK-UHFFFAOYSA-N 423.502 1.601 30 10 HDEE CN(C)C(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1768446882 HKQUHEXCEFVJFR-UHFFFAOYSA-N 411.485 1.971 30 10 HDEE COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769210766 CGNJJKNJHUFTIR-ZDUSSCGKSA-N 408.466 1.496 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCCS1(=O)=O 1769845073 GNPMWRVDYVLQIO-JKSUJKDBSA-N 411.528 1.116 30 10 HDEE COC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1770776857 PZLLWMDPXHSARU-ROUUACIJSA-N 416.551 1.768 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1771223154 RBJPYQGTQIOTCN-XNXCGYLDSA-N 419.526 1.672 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 1849562328 ALDUTJPROKIDAM-UHFFFAOYSA-N 402.462 1.634 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC(Oc4cccnc4C#N)C3)CC2=O)cc1OC 1849817787 YZXBQEZYOJWOCI-CQSZACIVSA-N 422.441 1.613 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)Cn2nnc3ccccc3c2=O)CC1 1850195322 OKSZTAPFSBKZLE-UHFFFAOYSA-N 403.446 1.091 30 10 HDEE COc1ccc(C)cc1N1C[C@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852460129 IECVLOSBROXFNY-IAGOWNOFSA-N 422.441 1.987 30 10 HDEE COc1cccc(CN2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852467193 LYAHLMRZTKTEHE-PKOBYXMFSA-N 422.441 1.674 30 10 HDEE C=CCN1C[C@@H](C(=O)OC[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1852582634 AHJVGQLCMCZEGB-SJORKVTESA-N 406.504 1.665 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CCn2c3c(c4ccccc42)CCCC3)CO1 1853605342 DDQNWVNIUKWRAH-HNNXBMFYSA-N 417.487 1.923 30 10 HDEE CN1C[C@@H](CN2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)c3ccccc32)CC1=O 1853921286 FDUAIUHAYJGGKM-SFHVURJKSA-N 402.454 1.959 30 10 HDEE C=CCN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCC)C(=O)[C@H]1C 1854258903 QBJMRZDNARUDSS-OAHLLOKOSA-N 407.474 1.918 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)cc1 1854306670 UDXNINBTSZOEAD-GOSISDBHSA-N 421.519 1.612 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1855321328 MRWORKRLNUBLOI-IBGZPJMESA-N 407.474 1.497 30 10 HDEE C[C@@H]1CCN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855420905 USRPFPYOZCVMOK-CRAIPNDOSA-N 403.504 1.589 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CCC[C@@H]3Cn3ccnn3)CC2=O)cc1 1856679611 JTVOWILRWCQDMQ-VQTJNVASSA-N 406.490 1.622 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@H]1CCN(C)C1=O 1857043815 YFWKMQVJRVTIOC-ROUUACIJSA-N 415.538 1.870 30 10 HDEE O=C([C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCOCC1 1869930026 RDLZVLKXNXYZLH-QGZVFWFLSA-N 417.462 1.334 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871676348 APOFYXITPPEXMY-UHFFFAOYSA-N 404.902 1.928 30 10 HDEE CCc1nc(C2=C(N)N(C[C@H]3COc4ccccc4O3)CC2=O)sc1C(=O)OC 1872725720 WOIOOCKKURZHPG-NSHDSACASA-N 415.471 1.844 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncnc(Cl)c2C#N)[C@H](S(C)(=O)=O)C1 1877648942 UJLRTWPFLWGUGO-WDEREUQCSA-N 401.876 1.446 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H](O)C1(C)C 1881239222 VDZGASLCMOIJDC-RNODOKPDSA-N 404.419 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCB3OC(C)(C)C(C)(C)O3)=NO2)C1 1985102593 JCOWURRRWJACOW-IBGZPJMESA-N 409.292 1.890 30 10 HDEE C=C(CNC(=O)[C@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991972029 ZSNPOUTVLSBWMM-LSDHHAIUSA-N 410.320 1.908 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1 2054406117 RRAVLWBTTLOOAS-MHORFTMASA-N 404.492 1.466 30 10 HDEE C[C@@]1(NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCN(C(=O)OCc2ccccc2)C1 2054408924 XACWMWUTLGEJOS-PKOBYXMFSA-N 406.508 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)c1cncc(C#N)c1 2174781469 GFVNGSKZWXHKIP-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CCS)C(=O)O)[C@H]2CCO[C@H]2C1(C)C 2180242107 LDKVBNADTGAPAB-NEDIDLKZSA-N 402.513 1.584 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2181108408 SCQYLPZPQSPLAM-SFHVURJKSA-N 401.529 1.999 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN([C@@H](C)C#N)CC2)C1 2181148010 POHBIHUPTJXJCW-JLMWRMLUSA-N 414.506 1.859 30 10 HDEE CC1(C)OB(c2csnc2CN2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2227242980 MVIFPNZOGGXAND-CYBMUJFWSA-N 404.388 1.362 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCCn2cnc(I)c2)c1 2237128333 AMZCTTNEBPIZKS-UHFFFAOYSA-N 402.217 1.338 30 10 HDEE CC1(C)OB(C#CC(=O)N2C[C@@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2247801649 FKZKZPURPXPGFM-CYBMUJFWSA-N 414.233 1.928 30 10 HDEE CC1(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)OCCO1 2247880514 GMXMABYVJWUZIZ-UHFFFAOYSA-N 403.331 1.479 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2247930453 SRFZKRKJGBAWSJ-UHFFFAOYSA-N 421.303 1.605 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 2247936072 SYHFXRIBDSBVQQ-UHFFFAOYSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C(=O)C1 2248443476 ZLQNCOZLGLSUEH-UHFFFAOYSA-N 423.319 1.370 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c(F)c2)OC1(C)C 2248570720 YEUVPIKXNKFVBB-NWDGAFQWSA-N 415.196 1.872 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]4C3=O)cc2Cl)OC1(C)C 2267353497 DRJBSCPAMKBOGG-RKDXNWHRSA-N 403.718 1.868 30 10 HDEE Cc1ccc(C#N)cc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270537666 OAVWZHVSJJXPSQ-QGZVFWFLSA-N 417.443 1.988 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](S(C)(=O)=O)C3)sc2Cl)OC1(C)C 2281977955 WHUJVHOBRUIURI-JTQLQIEISA-N 419.761 1.960 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2C[C@@](F)(CN)C2)OC1(C)C 2282329320 KZAPMEXBJJUZHA-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H]3C[C@@H]3N)c(Cl)c2)OC1(C)C 2282489152 FPEVRKYEJVGRJI-RNCFNFMXSA-N 421.155 1.918 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)Nc3nc(O)n[nH]3)ccc2Cl)OC1(C)C 2282507625 KDYMKVWNWCWBGA-UHFFFAOYSA-N 400.653 1.264 30 10 HDEE CN[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282828452 ONHPTMYKCSZRIL-CYBMUJFWSA-N 400.737 1.622 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)[C@H]1C[C@@H]1C 2282829524 GCMVMYYOOLZLFR-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CN(C)CCONS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282830832 AHQXVBRNRKLGEL-UHFFFAOYSA-N 404.725 1.411 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282839357 CIZLVRTXGMZJLV-FTJNGKRUSA-N 422.403 1.019 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)N1C 2282848310 MCJQBKPGYKFXMS-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE CN(C)[C@H]1CCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866037 CESOKKCIRABQJC-KGLIPLIRSA-N 400.375 1.808 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282869860 JIOWUMVQYQSCOJ-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](F)C(=O)O 2284410040 QLMIJEFZYWGQMN-SKDRFNHKSA-N 407.294 1.384 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)cc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c2c(Nc3ccc(S(=O)(=O)O)cc3)cc(S(=O)(=O)O)c(O)c21 3132909 DFNDKIRYPPQOOO-UHFFFAOYSA-N 424.412 1.750 30 10 HDEE COc1cc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)c(C(=O)O)cc1OC 59449091 KLBPTPKNRLMIJD-UHFFFAOYSA-N 413.415 1.853 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)nc1 60480919 NGFZLXJSWDHKNX-UHFFFAOYSA-N 401.474 1.577 30 10 HDEE Cn1cc(CCN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c2cccnc21 65164786 VVSUCUIQEHLZQD-UHFFFAOYSA-N 409.515 1.994 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCNC(=O)c1cccc(Br)c1 301401241 ITDMFZCUYJSRBD-UHFFFAOYSA-N 423.292 1.810 30 10 HDEE C=C[C@H](C(=O)OC)n1cnc(I)c1I 308513663 DFUMFLIBVQBNLI-RXMQYKEDSA-N 417.972 1.992 30 10 HDEE C[C@@H](C(=O)N(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1)n1cnc(C#N)n1 409505117 XKOGMHWHUCANIG-INIZCTEOSA-N 418.457 1.804 30 10 HDEE C[C@H](C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1)n1cnc(C#N)n1 409881356 YXWKNKNUFSWDJS-CYBMUJFWSA-N 420.470 1.209 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCN1CCO 427444946 WCDNNHRNSYHHNZ-MRXNPFEDSA-N 408.458 1.814 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)c1ccn(C)n1 433353818 LZXDMMAADJPAFH-ZDUSSCGKSA-N 413.253 1.247 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 447743486 HEZAQUWXKLOTCU-QFIPXVFZSA-N 404.426 1.951 30 10 HDEE COCCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 462086509 FUNCWUFEIQDHFY-INIZCTEOSA-N 418.479 1.196 30 10 HDEE N#Cc1c[nH]ccc1=NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 463946754 QHVUDEYSLOQQNT-XTJCFAPMSA-N 424.460 1.793 30 10 HDEE CN(C)CCNC(=O)c1cccc(CNC(=O)NCCOc2ccc(C#N)cc2)c1 465845805 WDVVVWGGDDSOJR-UHFFFAOYSA-N 409.490 1.728 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 469928880 NAHQWFXFEDUSEI-FQEVSTJZSA-N 419.547 1.576 30 10 HDEE Cc1ccc(CN(CCO)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)o1 478389776 NWIONHFGORQQRA-SFHVURJKSA-N 410.430 1.686 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 483576889 RQESHNFHJDIJPS-OAHLLOKOSA-N 421.523 1.000 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1C#N 489629457 OPPGJONQHSCOPB-HXUWFJFHSA-N 400.504 1.519 30 10 HDEE COc1cc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1C 494582473 CHUDJTIGNRCTLB-UHFFFAOYSA-N 413.499 1.951 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccnc(N(C)C)n3)CC2)nn1-c1cccc(C#N)c1 503124902 HHKCEYPOOVFNRM-UHFFFAOYSA-N 416.489 1.871 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2csc(S(N)(=O)=O)c2)cc1 503761750 GFEYFVQSQHJHFH-ZDUSSCGKSA-N 422.513 1.421 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4sccc4C#N)CC3)C2=O)n(C)n1 505862193 ITNXCACLYDBNNH-MRXNPFEDSA-N 412.519 1.615 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508463688 IWBNTXDXLWBTPU-UHFFFAOYSA-N 401.492 1.928 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H]1c1cccnc1 510430361 XDNFQDYIEBTMSU-UWJYYQICSA-N 407.449 1.961 30 10 HDEE Cc1cc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c(C)o1 513785770 SSCIYUJZBLAHQO-UHFFFAOYSA-N 401.488 2.000 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 518405076 FQZHYEWXCBHDPJ-MRXNPFEDSA-N 406.508 1.270 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 525405725 MZUYKGRWCKLASM-IFMALSPDSA-N 403.486 1.817 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 532827079 GZQIAPQYAOUGBZ-GOSISDBHSA-N 405.520 1.435 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 542290912 ZRSMKWMHDHPFJM-UHFFFAOYSA-N 402.495 1.760 30 10 HDEE C=CCOC[C@@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O 553037175 BYLNKXCGMKAHBG-LBPRGKRZSA-N 406.240 1.857 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)c1 572297587 FNVWVTKXENXGMI-UHFFFAOYSA-N 416.459 1.299 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 579423912 MNFIWRIPSWNCFU-ZDUSSCGKSA-N 401.444 1.579 30 10 HDEE CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)NCCN1CCOCC1 580058060 SYIONWXVVLCLKJ-ZWOKBUDYSA-N 416.522 1.305 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1n1cccn1 581748886 VJGJCRHNNVXQBF-KURKYZTESA-N 417.491 1.224 30 10 HDEE CCOC(=O)c1cn(CCS(=O)(=O)c2ccc(C#N)cn2)nc1C(F)(F)F 582068449 NMTSJPLRSSWNSI-UHFFFAOYSA-N 402.354 1.819 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)CC1 604192114 OWFFFTLUZCKBGM-OAQYLSRUSA-N 413.566 1.180 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669808042 IASIKDOAELYBKM-WIYYLYMNSA-N 423.565 1.829 30 10 HDEE C#CCN(C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 729331816 QGCIMONGIWKBIK-INIZCTEOSA-N 405.472 1.460 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)c1 730227201 XMJIHXOIPDHVIF-HNNXBMFYSA-N 416.499 1.976 30 10 HDEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664570 LMYDYLINOQXGNE-PWSUYJOCSA-N 411.325 1.828 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 740453451 CGTRXROQPPPRCB-HNNXBMFYSA-N 405.524 1.967 30 10 HDEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC1CC1 740457373 FJNQXBOHODJBAR-MRXNPFEDSA-N 419.507 1.340 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2ncnc3sccc23)CC1 742176632 MAMUOVPXTQOWIH-UHFFFAOYSA-N 400.489 1.537 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OC2CCN(c3ccncn3)CC2)c1 752575089 CZTHPKNFJOBQAE-UHFFFAOYSA-N 400.460 1.214 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 758910747 GCXBAVQQDWKQDA-KRWDZBQOSA-N 420.516 1.616 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 760409947 YAEYZWZPVDTJGZ-HNNXBMFYSA-N 419.503 1.968 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCC2CCS(=O)(=O)CC2)ccc1F 768502878 DCEQHKNUVIOHLU-UHFFFAOYSA-N 418.512 1.235 30 10 HDEE Cc1ccc(-c2noc(COC(=O)CNS(=O)(=O)c3ccccc3C#N)n2)cc1 769156710 PMMRBQAVSPKYFS-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C)cc1 771082131 XVAQRRZXPHNPSI-DOTOQJQBSA-N 405.476 1.354 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3ccccc3C)c2=O)cn1 772280603 XNRPYLUSBAVGHM-UHFFFAOYSA-N 419.510 1.534 30 10 HDEE C#CCN(C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774047859 WXCWXHWJFTVUGX-XELLLNAOSA-N 408.423 1.968 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 774163010 LNHXMOHSWVGDSN-BQFCYCMXSA-N 420.535 1.027 30 10 HDEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 774217424 FPWFVHONDAWJQE-LSDHHAIUSA-N 401.529 1.368 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 774264460 WIOPMOPPCZQSBD-HIFRSBDPSA-N 413.902 1.890 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 780479558 YVDLZPAOPHYHQF-UHFFFAOYSA-N 404.442 1.596 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N2CCC(C)(C#N)CC2)cc1 780841566 IRODKFKMDWQVRB-UHFFFAOYSA-N 407.492 1.610 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 789144004 NUYDOYAKVPXXRL-HXUWFJFHSA-N 423.517 1.723 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 790105480 LFCLPTFZSNRMJZ-SFHVURJKSA-N 408.458 1.010 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)CCCC(=O)OC)CCCN1C(=O)OC(C)(C)C 791811050 NWRHILKHVRCUNX-GOSISDBHSA-N 418.512 1.731 30 10 HDEE COC(=O)C1=C(COC(=O)c2ccnc(C#N)c2)N(C)C(=O)N[C@@H]1c1ccccc1 795970650 RKYUIQXWKXKXFK-GOSISDBHSA-N 406.398 1.933 30 10 HDEE CN(CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cc(Br)ccc1[N+](=O)[O-] 796381787 NINOPAHEBOLGMM-AWEZNQCLSA-N 422.283 1.992 30 10 HDEE COc1ccc(CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C#N 799958616 IPIFRDXOCOTGLZ-UHFFFAOYSA-N 406.508 1.666 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 800130344 IQLKLQDZHWXMGF-UHFFFAOYSA-N 416.544 1.569 30 10 HDEE COCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802450501 WUBMDFHJLPOTEH-KRWDZBQOSA-N 412.494 1.689 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 802498360 CQSPCVSVRDOWMO-UHFFFAOYSA-N 419.507 1.389 30 10 HDEE C[C@H](OC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N(C)CC(=O)NC1CC1 805591638 XEMWAXISOCRCTB-ZFWWWQNUSA-N 416.453 1.192 30 10 HDEE N#Cc1ccnc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)c1 806934964 STKJPSVZRLBIDA-UHFFFAOYSA-N 421.429 1.880 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812360134 VCFPGBBXAVSMNI-DZGCQCFKSA-N 409.537 1.179 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(Cc2cccc(F)c2)CCOCC1 815555687 FSHILHMPAKJWJJ-VHEBQXMUSA-N 401.438 1.808 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1116540384 PSWJXBZSDSTXEQ-QZTJIDSGSA-N 423.535 1.630 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)n1 1128812675 MZPIMAFXGCZOPF-CAMMJAKZSA-N 406.446 1.383 30 10 HDEE N#Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)s1 1129862238 YWSFAZGLRDGCGJ-UHFFFAOYSA-N 411.530 1.561 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)Nc2cnn(CC#N)c2)cc1 1136435170 AGZGMBQYOOHXOP-FUHWJXTLSA-N 417.491 1.293 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1 1142114518 PEQBECAGNDUUDO-GOSISDBHSA-N 414.443 1.356 30 10 HDEE CC(C)C[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1142687247 MRUOCBKLVLJELX-MRXNPFEDSA-N 423.535 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CC1 1147909705 GXUFXSKNQFIBAI-QVKFZJNVSA-N 418.494 1.131 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@@H]4NC(=O)NC4=O)cc3)cc2C1=O 1149229382 PTNJUUMTEPMNAU-INIZCTEOSA-N 404.382 1.601 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCN(O)C1=O 1159642741 ZXJZGSVUUFLUKX-NSHDSACASA-N 419.175 1.618 30 10 HDEE N#Cc1ccc(OCCCN2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1169475001 XBXWRXBQBWEGAR-UHFFFAOYSA-N 420.457 1.778 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)C(=O)C1 1169475524 ZDRZQSMDPHCBIH-IAGOWNOFSA-N 406.527 1.585 30 10 HDEE C=CCCC(C)(C)CNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1170593052 XCKAJRNVDUIOIG-UHFFFAOYSA-N 402.538 1.477 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)N(CCC(F)(F)F)C2)c1 1211889749 FVJCHXJKSJGAQQ-UHFFFAOYSA-N 405.398 1.345 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)Cc1cc2c(cc1Br)OCO2 1213223690 WNIRDCADRKATHU-UHFFFAOYSA-N 404.282 1.979 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1214152498 GYAOOBDPWSYGHB-UHFFFAOYSA-N 406.386 1.202 30 10 HDEE COC(=O)c1oc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1225939205 WWNRZHHYODGUTJ-GXTWGEPZSA-N 406.439 1.933 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCOCC1 1231330120 BQXNQAACCIYZEH-LJQANCHMSA-N 421.519 1.140 30 10 HDEE C#CCN(C(=O)[C@@H](OC)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 1264995914 XFIILBPOOPUXNP-GWCFXTLKSA-N 406.323 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(=O)(=O)CC 1286279044 JEJOXAMETUFXGU-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286376601 GYMWGXWMKAKXJL-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1286406967 AONUWARNNSDYMZ-KRWDZBQOSA-N 422.489 1.337 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286465423 MYGXVAZTSFXYAI-WOIUINJBSA-N 418.538 1.986 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1286565515 PLLOKGGKYOVWSQ-GJYPPUQNSA-N 400.483 1.110 30 10 HDEE CON1CCC(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1290812036 CTXRLIDOPWCSNB-UHFFFAOYSA-N 400.458 1.787 30 10 HDEE C#CCN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1293715631 GMOPCQOXWUJJOM-DKTYTTGXSA-N 400.523 1.941 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1294180901 QCWOYJVVYQPAAH-INIZCTEOSA-N 401.369 1.589 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1298690595 RXZFBBKLIRSUFK-CQSZACIVSA-N 404.444 1.316 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1300411777 XDKOLWOOFMOYAH-MGPQQGTHSA-N 420.457 1.750 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1300531708 FWOYDOSRTAJROG-HXUWFJFHSA-N 418.501 1.187 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC[C@@H]2C)CC1 1300697483 CXFZFISHJBDDGR-IBGZPJMESA-N 409.538 1.124 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(SC)CCC2)CC1 1300706478 NWAOFFPKWKCPSF-UHFFFAOYSA-N 402.568 1.441 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2COCCO2)CC1 1300709726 CQYXGLWFRBKLLZ-LJQANCHMSA-N 415.469 1.167 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1300883603 YJGFEZZUINIPGY-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCSC2)C1 1301553566 OGPLZRMDTGDERK-YLJYHZDGSA-N 417.583 1.897 30 10 HDEE Cc1cccc(CN2CCO[C@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)c1 1302563815 ZKTFYWWTJHCMRG-UGNPLGLKSA-N 412.490 1.229 30 10 HDEE Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n1 1304489334 FKAHBHZLWVALDP-DZGCQCFKSA-N 405.528 1.430 30 10 HDEE C#CCOc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCN(C)C)cc1 1350640061 XIVPDWCICMOOIQ-JOCHJYFZSA-N 405.498 1.944 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1358918731 FJEMGQQEBWPTJF-UHFFFAOYSA-N 406.494 1.423 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358961507 ADEKRXFUDHVGTE-ZWOKBUDYSA-N 422.551 1.307 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359150526 AKQWZJBDYYPIOO-SGTLLEGYSA-N 408.890 1.349 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1359226269 BAHPMOFNKVNBGT-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1359282864 VGBFEFXMDLYGQC-UHFFFAOYSA-N 400.443 1.646 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1359291279 KTCLHUWXFDUXAA-HOTGVXAUSA-N 418.542 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2)CC1 1359297905 GNMVNAMUEHHJPB-UHFFFAOYSA-N 404.478 1.364 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H]3OCC(=O)N(CC)[C@@H]3c3ccnn3C)cc21 1439756439 FDGKUEOTAJBXJX-UXHICEINSA-N 408.462 1.883 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2nccc2C1 1453764621 FVKBBGRDYMTXAP-MRXNPFEDSA-N 401.492 1.523 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1455201030 AYCWABZAJSSUFB-HNNXBMFYSA-N 412.508 1.350 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2nccs2)n1 1459892341 VRSPGXXLBHALIY-IAGOWNOFSA-N 407.503 1.638 30 10 HDEE O=C(CN1CCS(=O)(=O)C[C@@H]1C1CC1)NCC#Cc1cccc(C(F)(F)F)c1 1460123548 KNTIYZOXYUTCFZ-QGZVFWFLSA-N 414.449 1.682 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1461933306 ODFNWROEDILXKT-OAHLLOKOSA-N 420.535 1.301 30 10 HDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)[C@@H]1COC[C@H]1O 1463115461 WUMCRTRBEPIUAV-SQWLQELKSA-N 416.293 1.297 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1466735738 AQANGKZPDVLCHL-AWEZNQCLSA-N 415.471 1.121 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@H](CO)[C@@H](CCO)C3)C2)C1 1472395167 YDFWIPYTMANIEM-NPBUUECASA-N 407.511 1.223 30 10 HDEE CCc1cc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 1472886356 OYQFAOSCGPWGSZ-LIRRHRJNSA-N 413.459 1.989 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1c[nH]c2c(Br)cccc12)C(=O)OC 1475239842 HDERUFNRARPQNK-GFCCVEGCSA-N 417.281 1.953 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)n1 1479365415 JEFPOFBDWPWGJH-PLOVASNDSA-N 404.511 1.647 30 10 HDEE COC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1504709114 DNXVIFNEYMPQJP-MCYOWCNASA-N 418.498 1.168 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1505327334 YCMFSHSSNMZVQD-QGZVFWFLSA-N 416.526 1.584 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(=O)(=O)CC 1507520472 CWRBHYFRISGCLR-CQSZACIVSA-N 420.495 1.641 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507632917 QTXZAFGJEBKQMD-BZUAXINKSA-N 410.565 1.304 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507635085 PKZSBGJWLQNYMC-KRWDZBQOSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(OCCOC)CCOCC1 1507647121 AWWPTVBTNJYFNQ-UHFFFAOYSA-N 410.478 1.020 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1507686912 HWGJXXGHDPHDBB-NRFANRHFSA-N 424.530 1.520 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCCCC2)CC1 1507723745 SOGZHDBZPJSGRO-LJQANCHMSA-N 408.554 1.612 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1507724753 JEWQGDYUVPKAQF-OALUTQOASA-N 410.570 1.554 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCCC(C)C 1507765537 SRUOOUVPWHUEBN-QFBILLFUSA-N 411.572 1.943 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1507786680 CUUPBZFMDBMRAH-UHFFFAOYSA-N 417.311 1.984 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508125356 QTMLJTMVVIZIDU-WMZOPIPTSA-N 403.527 1.822 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508160514 VFRRAOOJIOTPRL-UONOGXRCSA-N 413.569 1.162 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1508422247 DLVXDUSEYAZHQW-SUFIHLRJSA-N 421.567 1.717 30 10 HDEE C#CCCCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1509542729 SAEWEPSNYBLJPX-HLXOMJDXSA-N 400.519 1.823 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)CC(F)(F)F)n1 1511136874 CJMXMQSKKZXFHO-AWEZNQCLSA-N 409.416 1.871 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCN(C)C 1511877288 QKHOETWANANQBW-UHFFFAOYSA-N 411.554 1.749 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1517516387 ACKZVJACAJHNMI-UHFFFAOYSA-N 421.505 1.305 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1517543191 BKHLRTVNGWPOIH-LJQANCHMSA-N 424.505 1.585 30 10 HDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1517825263 CWKAENPVUPTATJ-ROUUACIJSA-N 415.519 1.865 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1519204186 YJKFIGIYOPZHKZ-UHFFFAOYSA-N 420.464 1.867 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1C 1527345490 HFFJQALKBLWFPR-QGZVFWFLSA-N 415.519 1.844 30 10 HDEE N#Cc1ccc2nc(NC(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)[nH]c2c1 1530627189 UHRQCMUGDJOGOI-LLVKDONJSA-N 401.473 1.974 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCc4c(CC#N)cccc4C3)ccc21 1534525636 FDPNLBSUIXCIBZ-UHFFFAOYSA-N 416.481 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2ccc(C#N)nc2)C1 1534589348 NNRCQZOUBURLID-INIZCTEOSA-N 422.507 1.036 30 10 HDEE CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1536971014 BGEILDMYQYCSGE-SECOEOQKSA-N 413.455 1.880 30 10 HDEE C#CCN(C(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1537469149 KZROCTMIYILJGZ-KGLIPLIRSA-N 419.528 1.606 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCOCC1 1539422655 GWAVGGMGQHGSKB-UHFFFAOYSA-N 414.506 1.793 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1539556056 IYOSLNOAWGLJOU-NPPFBWRTSA-N 414.554 1.578 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)CC1 1539849646 ZPFRVZYWOJPKGS-IRXDYDNUSA-N 409.556 1.057 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C)C(C)(C)C1 1540196118 PMFJHNXQKRKEGH-UHFFFAOYSA-N 416.574 1.343 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540901213 WPOZEDGYDLLRAI-MSOLQXFVSA-N 417.535 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540903571 GFZJXTABDQCVIA-UHFFFAOYSA-N 422.555 1.368 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2c(ccnc2O)C1 1540907855 KWXYJRIPYVSQHX-MRXNPFEDSA-N 419.507 1.394 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1540918352 PHFSGBQCSPFBGK-LJQANCHMSA-N 422.643 1.991 30 10 HDEE C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541863688 HOZRHPMBGKEJRQ-FPOVZHCZSA-N 424.549 1.903 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2nc(O)oc2c1 1543385929 GGPJKLMRDAMRHE-JTQLQIEISA-N 400.416 1.449 30 10 HDEE C[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)N(C)C 1545205439 RKVBFSOJAHTKOP-DYVFJYSZSA-N 400.479 1.985 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1554319959 MCAJOZXUTUHVKS-UVTIVQHFSA-N 402.499 1.717 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(F)(F)C1 1556022496 IHBRPINVZPFPFS-XQTVBXIXSA-N 408.409 1.154 30 10 HDEE CN(C)CCN(C)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1556897203 GJNXIVSNEOKEKT-MRXNPFEDSA-N 405.930 1.564 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1559899817 SFTVOPUTUIMQRN-QGZVFWFLSA-N 405.520 1.442 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC(n3nncc3I)CC2)CC1 1560000290 SNYUXIAGIQCFSU-GFCCVEGCSA-N 401.252 1.574 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Br)cc1 1564999876 PKFYYJDKEVFGFJ-GJZGRUSLSA-N 414.325 1.847 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CC1 1565444567 UWFVZOXZVRCCCM-MRXNPFEDSA-N 411.441 1.303 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1565814670 DBGNHRWZSHUAQZ-RXVVDRJESA-N 401.507 1.884 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)cc1S(=O)(=O)NCC#N 1570784229 IOWHCDBMYWUPMW-MRXNPFEDSA-N 419.507 1.020 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587646165 UCGODZJJKXVBRN-HOTGVXAUSA-N 419.526 1.747 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1587667728 LZABIODSZCYQGP-INIZCTEOSA-N 405.524 1.481 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)NC(C)C 1587944822 CVLVWAFGRVTHIP-UHFFFAOYSA-N 421.523 1.360 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCCC 1587990581 YUSMYILRRKSFMI-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1588387475 URVSAJLQNVWVFE-CQSZACIVSA-N 411.528 1.164 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN(CC)S(C)(=O)=O)CC1 1588741853 JFZTZZSYZBOUJO-KRWDZBQOSA-N 410.588 1.218 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)C(=O)NC)CC1 1588947639 SCBDEWNFPJUIKJ-UHFFFAOYSA-N 402.543 1.215 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCOCC1 1589053519 QFMBJEIMVAOMHK-UHFFFAOYSA-N 424.530 1.785 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H]1OC 1589151340 XNZUAXMUGLHUPL-IUVQAAGXSA-N 409.556 1.696 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC2(CCCCC2)C1 1595570201 ZZNZZRLPJIBSQU-UHFFFAOYSA-N 400.527 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cc[nH]n2)C1 1595755321 VUEWHWKRQLQAHZ-GOEBONIOSA-N 401.471 1.064 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1596282228 HMTJIUTZZAVJIE-QFIPXVFZSA-N 422.537 1.634 30 10 HDEE N#Cc1cc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1C1CC1 1596459558 LPBKZGUNTGWPGM-HNNXBMFYSA-N 400.460 1.540 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCNC2=O)cc1 1596924658 DZLREQYGCGBWPO-UDWOFDDZSA-N 406.508 1.744 30 10 HDEE C[C@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)S(=O)(=O)C1CCOCC1 1597582929 RZSHFULWAWYAMC-CQSZACIVSA-N 402.476 1.724 30 10 HDEE Cc1c(Br)cnn1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1611245282 OODZRQLWYUXRFN-WCQYABFASA-N 412.288 1.829 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@@H]1C 1615857701 QLRZQWUMNWSODO-SFHVURJKSA-N 411.554 1.925 30 10 HDEE CC(C)n1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1616373327 RLAOFMFLDLDWGQ-UHFFFAOYSA-N 402.480 1.770 30 10 HDEE CN(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1617699394 DDHSNNWEPJINPT-GOSISDBHSA-N 411.510 1.315 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619618120 BKAHKRYTYXSLBJ-AWEZNQCLSA-N 410.413 1.255 30 10 HDEE C#CCC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCC1 1622598203 OBKGDEIYAGPBPJ-ZWKOTPCHSA-N 406.504 1.888 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 1623668871 DEZDZQXWVPIRAQ-UHFFFAOYSA-N 401.268 1.821 30 10 HDEE C=CCOC[C@@H](NC(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1626208529 PCIAHQQAIFYSQC-AUUYWEPGSA-N 411.455 1.003 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)C2=O)cc1 1626695345 ULLZLTPGWPGJGV-POZKEBTKSA-N 416.437 1.820 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)CC1 1626966885 VICGKFJOHFVCRO-PNLZDCPESA-N 403.523 1.028 30 10 HDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(C)c1)[C@H]1CCS(=O)(=O)C1 1627923510 SHXDAKUDYMYKSN-HNNXBMFYSA-N 415.537 1.452 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1[S@@](=O)C(F)(F)F 1628385525 AQAQCYDNNRONQG-AXSXGGAZSA-N 401.366 1.570 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)c1 1630765733 INIYYZDRJGDIEN-PZJWPPBQSA-N 422.460 1.525 30 10 HDEE CN(CC(=O)N1CCN(C(=O)CC#N)CC1)c1cc(Br)ccc1[N+](=O)[O-] 1635737000 DGOVPUWLSPQMRN-UHFFFAOYSA-N 424.255 1.378 30 10 HDEE C[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(C)(=O)=O)cc1 1635905736 JXVXCRXKJMZGPN-UNQMGURYSA-N 405.476 1.226 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cc(C)ccc3F)c3c2CCC3)CC1 1635994198 XWVFUESSPRLXBV-UHFFFAOYSA-N 423.492 1.316 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](n1cccn1)C(F)(F)F 1637263920 WGTXTTTXPAADHP-JSGCOSHPSA-N 408.388 1.568 30 10 HDEE COc1cc(-c2noc(CCC(=O)N[C@@H]3CCN(O)C3=O)n2)cc(Cl)c1OC 1637457519 AOMWHPNSFNROLQ-LLVKDONJSA-N 410.814 1.446 30 10 HDEE NS(=O)(=O)C1(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1639783137 XESZYNIUGXSGOT-OLQVQODUSA-N 416.290 1.437 30 10 HDEE Cc1ccc(C(=O)NC2CCC(C)(N3CCC3)CC2)cc1S(=O)(=O)NCC#N 1639936000 NJGNUUNCZJPDQK-UHFFFAOYSA-N 404.536 1.934 30 10 HDEE C=CC[C@H]1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1643961017 SAUNIOATOSLNQZ-INIZCTEOSA-N 423.535 1.553 30 10 HDEE C[C@@H](CC(=O)NCc1cnn(CC2CCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1647975866 HLKMUJLSPZGOPF-AWEZNQCLSA-N 415.519 1.817 30 10 HDEE CN1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1648178314 XWLPETVGSULSAB-IEBWSBKVSA-N 417.469 1.941 30 10 HDEE CCOc1ccccc1[C@H](CC)NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648503853 YAJCFBWRAWYYEZ-RIFZZMRRSA-N 405.520 1.523 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1650742537 VCUWJMJAPATVAT-INIZCTEOSA-N 401.463 1.215 30 10 HDEE CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1(CNC(=O)OC(C)(C)C)CCCCC1 1652174638 ZHVJFEWWVYHMQA-UHFFFAOYSA-N 405.499 1.619 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1652331818 INUIKLPPFLCLFO-HOTGVXAUSA-N 403.483 1.632 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4cccc(Br)c4)CC3)C2)c(=O)nc1O 1653759758 ISUAAPVYIPRSDM-UHFFFAOYSA-N 415.247 1.698 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1655205431 HTLJQZBUTVWZDG-SJLPKXTDSA-N 416.526 1.068 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(c2cc(C#N)c(Br)cn2)CC1 1655487092 FKHPGAZTRLNLCC-HSZRJFAPSA-N 400.298 1.996 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)cc(F)c2OC)CC1 1657040022 ZHACCFVXTHIWBS-UHFFFAOYSA-N 405.289 1.973 30 10 HDEE C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660452934 UTYJUEPZEVKYNT-OHUAYANFSA-N 413.402 1.205 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 1665482106 GTIVBXWKUSGKLY-MRXNPFEDSA-N 418.494 1.795 30 10 HDEE C#CCC1(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CCOCC1 1665589978 DGWHLLZATSQXRR-UHFFFAOYSA-N 404.410 1.830 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)nn1 1665714245 YBZGLCQHOQLVQF-GOSISDBHSA-N 404.902 1.990 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)nn1 1670631273 ASPQUNUUPBAYHL-UHFFFAOYSA-N 418.523 1.389 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2OC)CC1 1678526004 SQDRBYMJVAOZSM-SFHVURJKSA-N 422.551 1.577 30 10 HDEE C#C[C@H](NC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@@H]1CCCO1 1681816449 QFAZGYLIKXIGQX-IRXDYDNUSA-N 407.511 1.979 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1683227522 CIPLLPYXCLUWKB-UHFFFAOYSA-N 400.451 1.921 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683532914 MEYMSUOTHPCONJ-UHFFFAOYSA-N 404.536 1.789 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(C#N)cc3)CC1)CCO2 1684057056 CIVMLCASVBYDGI-WUZYXKQASA-N 412.490 1.891 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCc4c(cccc4C(N)=O)C3)C2=O)cc1 1686084121 HXFVWJBJAQLIGZ-FQEVSTJZSA-N 417.469 1.920 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1686271045 OGONRNIGCKGFKR-ZFWWWQNUSA-N 401.916 1.899 30 10 HDEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1689892429 FRMNONJMGURSAG-UHFFFAOYSA-N 414.554 1.597 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689933496 OXDRCQXAGUIDPE-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@H]1C 1689950958 HYBPPPTUJGAHAE-FOIQADDNSA-N 402.520 1.969 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1690219603 HPLGYXPOMXMGPO-ZDUSSCGKSA-N 416.320 1.579 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1690671261 SFTYSKRISSCKEX-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690672251 MOZZRHHCAIYNBA-UHFFFAOYSA-N 400.483 1.315 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCn1cc([C@H]2CCOC2)cn1 1692498977 BVFFRHMMCFSYDX-HOTGVXAUSA-N 414.514 1.555 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1695046570 CLUPIXLJSHTSED-HZPDHXFCSA-N 403.531 1.805 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1705475375 LONAYLJXSZLQIM-AWEZNQCLSA-N 415.494 1.948 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705526008 CAKMELYGXNDIBX-INIZCTEOSA-N 410.478 1.590 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1705585910 NVTIOHYRMNZTLU-JOCHJYFZSA-N 405.458 1.607 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1705611979 VFNNVBBKDFKZIA-UHFFFAOYSA-N 419.507 1.433 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCCC1 1705630095 GQNFDKKDOBKKTK-UHFFFAOYSA-N 402.543 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[C@H]2COCCO2)CC1 1705645711 BJDZYIDNSAVZFU-FQEVSTJZSA-N 423.517 1.716 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705825479 UWPUXMIDCNCUOH-JKSUJKDBSA-N 404.515 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCCC2)C1 1705895213 YDOMVDXOJMNSQM-UHFFFAOYSA-N 409.494 1.998 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)CC2CCCC2)CC1 1705929954 BKGBHVJUCFTWFK-UHFFFAOYSA-N 423.583 1.806 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1706238510 VVCIJXTWLPWOPG-MRXNPFEDSA-N 413.438 1.354 30 10 HDEE CCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)C1 1710235053 OMXVSEAEHJOACW-XSLAGTTESA-N 404.515 1.073 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)COC)CC1 1710337639 IBQAZWLUPVOHLF-INIZCTEOSA-N 411.510 1.951 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1710898993 URVSVYNELNLHSK-IRXDYDNUSA-N 416.507 1.124 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1710971489 GSLVQDPUFDYCRL-MRXNPFEDSA-N 412.498 1.056 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)c1 1712877210 FBCZJGPRRNRWAL-QGZVFWFLSA-N 410.503 1.991 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722334642 HMYFFXUXXJHOTJ-SFHVURJKSA-N 416.551 1.443 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H](c1cccs1)N1CCOCC1 1722350321 VDLSYNPZPQDRNN-QGZVFWFLSA-N 409.519 1.940 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722362580 VACZYZPMEXGKJZ-JXFKEZNVSA-N 415.519 1.536 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1722425690 IQEDFXOHABQMSB-UHFFFAOYSA-N 404.474 1.497 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)COC)CC1 1722447072 CXZXAAGDAGHSOI-KRWDZBQOSA-N 403.527 1.420 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1COCCO1 1722449947 WCHVZTHCVXGJDT-HNNXBMFYSA-N 424.461 1.095 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722507723 JBDPESZKOOOJHB-BQFCYCMXSA-N 424.567 1.777 30 10 HDEE C=CCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622420 JIYULTGIFQQZIJ-VQIMIIECSA-N 412.556 1.908 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC1 1722681625 ORBNVLXZNMFEGU-GOSISDBHSA-N 405.543 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCCC(=O)NC 1722695702 MVUIIHMAYKVLDP-UHFFFAOYSA-N 404.902 1.863 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC(N)=O 1722706929 BHLUFOYUVILKGR-GOEBONIOSA-N 412.494 1.542 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nc(C)no2)C1 1722709909 ZEJWFUKZOUUXOY-INIZCTEOSA-N 415.498 1.620 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccco2)C1 1722716555 ZTWIRETVJZUHQU-SIFCLUCFSA-N 401.467 1.511 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N(C)C)CCOC1 1723680049 JEXBRDICHSNDSZ-PMACEKPBSA-N 404.515 1.537 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)C(C)C 1727606282 KBVQYBFAIYPSRH-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE CCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1728612725 QTSCQAMUDAQQCT-UHHPSXQGSA-N 401.515 1.458 30 10 HDEE CCOCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1729119628 CCEDPZRFVWVQQV-KRWDZBQOSA-N 416.526 1.840 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](COC)OC 1730476436 IYHWADSKFOBJBF-BBWFWOEESA-N 407.515 1.794 30 10 HDEE COC[C@@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730494810 SDQWBNMRQRBBFH-YOEHRIQHSA-N 419.530 1.795 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)F 1740653110 AEQXKBZWAAEWHP-UHFFFAOYSA-N 405.405 1.750 30 10 HDEE C=CCC(C)(C)Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1740852254 LHVZEPCKMUTVFP-HNNXBMFYSA-N 423.543 1.690 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1740892413 GJLVQGMIFYEXJO-HNNXBMFYSA-N 420.539 1.584 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cncn1 1740914307 OXAZCWWGWYKNQL-GOSISDBHSA-N 422.493 1.722 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1740954850 TUDYEXRTQHREBE-QGZVFWFLSA-N 417.477 1.589 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740962025 PNIGXAOZBRVOKI-UKRRQHHQSA-N 424.427 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(OC)C1 1740990732 YUTOMJMHWXPRIB-GOSISDBHSA-N 406.512 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@](C)(OC)C1 1740990735 YUTOMJMHWXPRIB-SFHVURJKSA-N 406.512 1.341 30 10 HDEE Cc1cccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1742145570 AXYKQSVOPMMGMM-HKUYNNGSSA-N 424.505 1.905 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1occc1C 1748638480 QBUWFOYWYOEVAT-HNNXBMFYSA-N 400.483 1.596 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1748646655 BMXZQNNYBUWARQ-SGTLLEGYSA-N 419.327 1.982 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1748731349 ASIBQRZIEPUCAY-OKZBNKHCSA-N 423.583 1.945 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820006 XAEWEUHAKJQVBG-GDBMZVCRSA-N 408.549 1.592 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1748892973 ZAFWZFGWWQHTGB-HXUWFJFHSA-N 422.485 1.795 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(CC)CC)CC1 1748972825 RPBDTSKVEMXHBA-UHFFFAOYSA-N 424.553 1.413 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749096130 HGJNWLYWOYPGNO-LLVKDONJSA-N 417.333 1.457 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)CC1 1749286377 JKJOOVHXRJDIHR-CQSZACIVSA-N 406.512 1.497 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1750883065 DTSHZGRHOGJDIV-INIZCTEOSA-N 408.514 1.999 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1751106988 TUYUICLBFKONPM-HNNXBMFYSA-N 410.478 1.776 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)n(C)n1 1751822758 HPSSCADIGSTVQZ-KBXCAEBGSA-N 420.543 1.109 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1760097559 HCJPWZSJKXVSGC-KKUMJFAQSA-N 405.524 1.448 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCOC 1760119513 ATKKCWOBGKUBQN-QGZVFWFLSA-N 411.506 1.932 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1760181906 DKSNGDVVGULJNK-IRXDYDNUSA-N 416.551 1.802 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@@H]1OC 1760199510 XMOMXIWEQDZVGL-NQIIRXRSSA-N 422.485 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccccc2C)CC1 1760259658 FLUXUHPRYBEISW-GOSISDBHSA-N 408.506 1.372 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1760331519 JUNPNGZHGZLAQD-OAQYLSRUSA-N 421.509 1.802 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760347775 WVDCGLVDHGNHJP-IBGZPJMESA-N 400.508 1.705 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760357758 IJCBKZFMMKDIJZ-SFHVURJKSA-N 404.559 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760553464 CZZJSJPQHFQKBC-GJZGRUSLSA-N 409.556 1.702 30 10 HDEE CCCN1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1=O 1766141957 YBJNFJWZOUHDJC-UHFFFAOYSA-N 406.450 1.697 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCN(C(C)=O)CC2)C1 1768193748 FIBYZIMVCRWXGS-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCC1 1770049526 CNKVTZMSCYMSPM-SJLPKXTDSA-N 406.531 1.605 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cl)nc1 1771111780 WHPXQLVJLOSZMJ-AWEZNQCLSA-N 403.874 1.692 30 10 HDEE Cc1ccc(S(=O)(=O)N(C(=O)CC#N)c2ccc(N3CCN(C)CC3)nc2)cc1 1851326959 OMCUNMPDSDQEIP-UHFFFAOYSA-N 413.503 1.777 30 10 HDEE Cc1nn2c(C)c(C(=O)NC[C@@H](c3ccsc3)N3CCN(C)CC3)cnc2c1C#N 1852894303 JDUQPWWPPDHDJB-IBGZPJMESA-N 423.546 1.998 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)[C@H]2CC(=O)N(c3cccc(C)c3)C2)CC1 1853565322 FPGXBBXCEYHCLB-SFHVURJKSA-N 413.522 1.567 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1853687337 LGYMFMXVSSZNSQ-OAHLLOKOSA-N 416.913 1.567 30 10 HDEE Cc1nnc(CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C23CCCC3)n1C 1853774802 CQDNAZLVINUBJM-UHFFFAOYSA-N 406.490 1.722 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)CN4CCCC4=O)C3)CC2)cc1 1855958795 FQKNSMOCUSFIRP-FQEVSTJZSA-N 408.502 1.768 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4ccccn4)CC3)CC2=O)CC1=O 1855992766 PCDBXRXASMWSFV-MOPGFXCFSA-N 410.518 1.703 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C(=O)C1 1856411943 MGBBBMMDJGQXAT-UONOGXRCSA-N 414.453 1.994 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)CSc3ccc(F)cc3)C(=O)C2)C1 1857164867 TXVVQDNBVRNVBN-KRWDZBQOSA-N 404.511 1.967 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 1857220746 WTBPJTNJQGSJAK-DOTOQJQBSA-N 405.462 1.277 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3=O)cc2n1C 1857371837 TYWIMQDODHNDCA-UHFFFAOYSA-N 403.442 1.233 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)ccc1F 1858337164 XGYFHBIUPMXWMX-OAHLLOKOSA-N 423.491 1.747 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741330 PGJTUZNCLKHIFG-INIZCTEOSA-N 400.343 1.577 30 10 HDEE O=C([C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21)N1CCOCC1 1869930025 RDLZVLKXNXYZLH-KRWDZBQOSA-N 417.462 1.334 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CN(CCO)CCCC)cc1=O 1870560094 GQDBBHUBVWGSHG-UHFFFAOYSA-N 405.539 1.177 30 10 HDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(CC)CC3)ncnc21 1873595783 RSACTGOOVAXXNL-UHFFFAOYSA-N 422.537 1.776 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1884296535 DDPIFFVHGUDWSG-CRAIPNDOSA-N 410.499 1.587 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1 1890276322 XKVWDJCMIUAZCX-UHFFFAOYSA-N 415.494 1.859 30 10 HDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(C#CCN(C)C)CC3)ccc21 1890773266 LINHOVZVQZWAGL-UHFFFAOYSA-N 403.548 1.951 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1891403398 LAXJJRBSTAIAQM-KRWDZBQOSA-N 416.441 1.637 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(n3nccn3)C2)[C@@H]1c1ccc(C#N)cc1 1892101895 KIVVREZTPBRXPX-OALUTQOASA-N 410.503 1.627 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@@H]21 1982286689 MWOLUWGWMCQNAQ-WOPDTQHZSA-N 411.318 1.449 30 10 HDEE C=CCn1ncc(NC[C@H](O)CNC(=O)OC(C)(C)C)c(Br)c1=O 2011423139 OFKUSSULLFGUKY-JTQLQIEISA-N 403.277 1.489 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1CNS(=O)(=O)N1CC[C@H](C#N)C1 2194714993 QDBNOGROYQQKFH-ZIAGYGMSSA-N 402.517 1.081 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 2194721669 ZZTFFIWAGMBMIT-HNNXBMFYSA-N 400.545 1.683 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCO1 2247812234 FDVPZGMBEPILAN-LBPRGKRZSA-N 422.291 1.380 30 10 HDEE Cn1nc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247817656 OXNCHYXJKLTOFY-OLZOCXBDSA-N 420.319 1.362 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247823326 NSHXCAPDFPGDNO-STQMWFEESA-N 422.335 1.751 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCNC(=O)OC(C)(C)C 2247823572 PTRIYSXNSJTLDN-UHFFFAOYSA-N 422.335 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248055819 NXPMIIYUXNUYOR-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248060713 IJBZBFBYFNYAFK-UHFFFAOYSA-N 418.303 1.373 30 10 HDEE C=CC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258190316 VAQANIPEPNXBIJ-KRWDZBQOSA-N 410.492 1.682 30 10 HDEE CCc1nc(C(=O)N2CCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2267172073 SLDZXPDFISQBPH-GFCCVEGCSA-N 408.329 1.982 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2267375897 NVGFKXMNWLHDNS-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2281948673 ZDJKNEQKRDHCAR-QGZVFWFLSA-N 403.284 1.972 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@]2(C)CN)sc1B1OC(C)(C)C(C)(C)O1 2282300373 FDBSQLWOJUTAHH-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CCN[C@@H]4C3)cc2Cl)OC1(C)C 2282307181 YGTKUWYDXVNEHT-CMPLNLGQSA-N 418.777 1.683 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310526 VMULMJFFZVJSQO-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE CCOC(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322082 GCAVHJBOVASAIV-UHFFFAOYSA-N 403.331 1.587 30 10 HDEE CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332260 YIHQYIBSOWLYIO-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CON1CCC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282340113 BICCPBFARWELGY-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)S1 2282343959 SCFXFTBYOHDSOK-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](C)CN1C 2282344665 COUXVOGQBKIQEN-STQMWFEESA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@@H](O)[C@H](F)C3)ccc2Cl)OC1(C)C 2282502731 PBPVSKARRVHPOR-ZIAGYGMSSA-N 405.684 1.343 30 10 HDEE Cc1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282687617 IJBLHAUPSQBVOD-LBPRGKRZSA-N 401.359 1.861 30 10 HDEE Cc1ccc(S(=O)(=O)NCC2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282825390 JCEPTSRHFSARHV-UHFFFAOYSA-N 423.340 1.726 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282831038 DKFJIVWHENYBIL-VWLOTQADSA-N 405.322 1.172 30 10 HDEE CC[C@H]1CCNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851909 IYMKJLIXZDGUBS-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@H]1CNC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853396 CFVYBNQXHQOKGV-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE CS[C@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853774 IWQUZXLQQUPTCJ-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3(CC(=O)O)CCC3)c2)OC1(C)C 2284393348 JSWHKMPHKGOCHS-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(C(=O)O)CC2)OC1(C)C 2284410865 XDDNOLYTTWKUSP-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2300227910 WXLLFMFTWGAAGR-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C=CC[C@@H](N)[C@@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314263727 ALBADMNSNAPPNL-MSOLQXFVSA-N 405.520 1.760 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc([N+](=O)[O-])cc1 2330742545 MNGVKFQIDSRJPM-UHFFFAOYSA-N 419.467 1.323 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336220461 QKMRDAPEOGHSDT-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc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c1c(I)cc(C#N)cc1[N+](=O)[O-] 43414889 FTZHQMWELNLNFM-SNVBAGLBSA-N 405.192 1.810 30 10 HDEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)c1 253562740 DQEPXYKBWCGLBJ-DEDYPNTBSA-N 403.512 1.516 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3)n2Cc2ccccc2)n(C)c1=O 254741859 LWNWHHYSDJZIDR-UHFFFAOYSA-N 404.430 1.634 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2c(F)cccc2F)CC1 301422679 SPVNKMAEWQNJNI-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410425996 FGZXKNZFHIGAIG-VHSXEESVSA-N 421.397 1.312 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 438826951 HDQHPOIJCUPEGO-GOSISDBHSA-N 406.490 1.892 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC2CCC(C#N)CC2)s1 442975745 UWOFZTXELXIEHE-UHFFFAOYSA-N 412.537 1.109 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)Cn1c(O)nc2ccccc2c1=O 461300551 JAQWZVPSXDHOHR-UHFFFAOYSA-N 401.386 1.502 30 10 HDEE CN(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 461938162 SJFNLVULKLOFKC-UHFFFAOYSA-N 414.491 1.558 30 10 HDEE CC(C)[C@@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 470351348 KFCJDDUJTHXGAA-CYBMUJFWSA-N 416.297 1.467 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470533989 XNVQCJVZRLNATP-MRXNPFEDSA-N 419.507 1.425 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 475491484 HVVVIJXWPBPJAT-UHFFFAOYSA-N 402.495 1.938 30 10 HDEE CNC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 484681803 RKVXGFJIRHGEQW-GOSISDBHSA-N 414.487 1.486 30 10 HDEE CCNC(=O)COc1ccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 489115146 WSYLHVPGPAAQMG-UHFFFAOYSA-N 418.475 1.264 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2)c1 489527658 XMUJDKXGKAJMGZ-HNNXBMFYSA-N 402.476 1.836 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(O)nc4)CC3)cc2C1=O 501842833 QQEHXFRCLLIOMJ-UHFFFAOYSA-N 420.425 1.167 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 504573497 WVBMWKBFYOHWBN-UHFFFAOYSA-N 416.478 1.878 30 10 HDEE CCCS(=O)(=O)N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505779592 YJGSMYOMRYKWIL-GOSISDBHSA-N 401.529 1.568 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 506588538 LYWOCTFUYPFUIF-AEFFLSMTSA-N 415.519 1.911 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCOC(F)F)CC1 512182800 JNXUKMBMFGJEIN-UHFFFAOYSA-N 402.423 1.203 30 10 HDEE N#CC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCC1 519111385 UZMKKRYXINFFNW-UHFFFAOYSA-N 407.492 1.859 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC(OCc2ccccc2)CC1 534099653 URAJXVHSVGHZHT-UHFFFAOYSA-N 410.522 1.936 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 540697922 ZJPGLSZYXXWHTH-UHFFFAOYSA-N 412.515 1.083 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 546047563 RPYIGYLRXYEVFV-RTBURBONSA-N 404.486 1.675 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](CS(N)(=O)=O)C3)cc2)nc1 554296979 XFEYDAUFIVSXFJ-HNNXBMFYSA-N 400.460 1.886 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 557721949 LOOOAXCJIGZSIH-XIRDDKMYSA-N 402.882 1.869 30 10 HDEE C[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 573245581 LFUJUVSDCFVPJT-HBRVENNYSA-N 411.458 1.084 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 581897155 PQYHPGDLOCLPCK-IAGOWNOFSA-N 404.515 1.524 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1CC 727416690 XTVSTXAVYNTGPY-UHFFFAOYSA-N 405.479 1.860 30 10 HDEE C#CCN(C(=O)/C=C\c1ccc(I)o1)[C@@H]1CCS(=O)(=O)C1 729331563 QKEMKYUEKNODNT-VLWUPBBWSA-N 419.240 1.546 30 10 HDEE C#CCN(C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)[C@H]1CCS(=O)(=O)C1 729335861 VYRWOVFWSBZMGC-INIZCTEOSA-N 400.504 1.962 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 732144513 AENRWGKDZWHOQD-HNNXBMFYSA-N 409.508 1.890 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1nn(-c2ccccc2)c2c1CCC2 732447186 BDNQBFYRRJBJGS-MRCUWXFGSA-N 420.473 1.687 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 732706231 LJWZNDJQNXVOEW-OAHLLOKOSA-N 414.466 1.566 30 10 HDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 740202423 AZBWVFOBQBLADP-INIZCTEOSA-N 408.457 1.746 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 743835182 MWEZBYIRLYLHCG-UHFFFAOYSA-N 420.516 1.789 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750676970 FRJOWLRSEVZSBW-OAHLLOKOSA-N 409.533 1.842 30 10 HDEE C[C@@H](C(=O)NCCNc1ncccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 752513555 FVVBUBIWIXAHHK-CQSZACIVSA-N 401.492 1.535 30 10 HDEE C#CCNC(=O)c1ccccc1NCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 754300205 UNTUNTZKQWGGBF-MRXNPFEDSA-N 405.520 1.133 30 10 HDEE CC(=NNC(=S)NCCCN1CCOCC1)c1ccc(-n2cncn2)cc1Cl 764666476 RSGXRHAUXKGMRW-UHFFFAOYSA-N 421.958 1.831 30 10 HDEE C=CCn1c(COc2ccccc2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 764991540 BGGXNJKXAIFHFC-OAHLLOKOSA-N 423.564 1.760 30 10 HDEE CCOc1c(Br)cc(Br)cc1C=NNC1=NC(=O)C(=O)N1 765594909 YXKNLXUOFIDFSQ-UHFFFAOYSA-N 418.045 1.546 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 766450233 UAYTWBXKQKXEJI-OCCSQVGLSA-N 412.870 1.481 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767874019 WGTLTGSPVSYPFY-CYBMUJFWSA-N 403.529 1.664 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CCc2nnnn2C)C1=O 771537824 MRWBHNUMRCDASH-CQSZACIVSA-N 401.496 1.137 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 774051066 DKSYZJXLJWRBPA-CYBMUJFWSA-N 410.448 1.145 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1CCO 778940399 DLBNUEMBTLHKGM-DYESRHJHSA-N 406.486 1.806 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCN1CCO 779408166 CARYWJJBZFSEPL-OBAOGOGRSA-N 423.539 1.030 30 10 HDEE C#CCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@@H]3C2(C)C)CC1 783625371 RFDBVFKHTVXOKS-HYFFOGBASA-N 405.539 1.862 30 10 HDEE CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 784703286 QZQUIXYUPLZXNU-OAHLLOKOSA-N 408.466 1.058 30 10 HDEE Cn1ncc(-c2csc(=NC3CC3)n2N=Cc2cc(Br)nn2C)n1 789967417 DYVBGACGFSYVCX-UHFFFAOYSA-N 407.301 1.786 30 10 HDEE Cc1cncn1C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 793847187 DIGIAAOSHGQHQU-UHFFFAOYSA-N 401.492 1.484 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2ccn(-c3ccc(F)cc3)n2)c1 795323968 GRNRTKIDWGBUAN-UHFFFAOYSA-N 414.418 1.905 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)ccc1F 797362578 OMIFWBONTKHCRH-KRWDZBQOSA-N 419.478 1.897 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798741420 PTGWSNXQWDYPJC-OLZOCXBDSA-N 401.423 1.019 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)OC)c1OC(C)C)[C@H]1CCS(=O)(=O)C1 799247517 SZWLRABHUBWCCC-AWEZNQCLSA-N 408.476 1.915 30 10 HDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 802349374 IYMQRHOLLKYFGY-SFHVURJKSA-N 416.457 1.350 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CC(=O)NCC)ccc1F 803647262 NAICKOUQNXLPMN-HNNXBMFYSA-N 411.499 1.811 30 10 HDEE NS(=O)(=O)c1ccc(C=NNCCOCC(F)(F)F)cc1Br 807980574 VWMIKAXDJFDGIU-UHFFFAOYSA-N 404.208 1.599 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2[C@@H]3CCCO[C@H]32)cc1Br 809125000 WXDZUQUDNICWRI-ZEGGKSINSA-N 403.229 1.690 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 810166495 UCKBJOUYTCGTPP-BGMUVTMHSA-N 406.508 1.877 30 10 HDEE Cn1nc2c(c1CNC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCCC2 812614470 LFVFHJMTVATKEU-UHFFFAOYSA-N 415.519 1.434 30 10 HDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 916950590 RGSTWGNBJRALRH-PCIUKOCSSA-N 412.446 1.843 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 917243540 ZRCQXZKQHHVGQC-IFXJQAMLSA-N 406.483 1.569 30 10 HDEE COC(=O)CN1C(=O)C(=Nn2c(S)nnc2COc2ccccc2)c2ccccc21 1084386217 GQHXZZGVNPWWMM-UHFFFAOYSA-N 423.454 1.918 30 10 HDEE CSc1nc(O)c(C(=O)Nc2ccc(F)c(N3C(=O)CNC3=O)c2)cc1C#N 1116872045 WSGMHFUWAZGAQP-UHFFFAOYSA-N 401.379 1.828 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1139874359 WCNPYVSNAVJGQM-UHFFFAOYSA-N 401.554 1.683 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2sc(CS(C)(=O)=O)nc2C)c1 1141896817 TZFXEIOSZUPWRA-UHFFFAOYSA-N 419.528 1.617 30 10 HDEE C#Cc1cccc(N(CC)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1144136060 YFOCCMTWKDEFCP-UHFFFAOYSA-N 420.512 1.403 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)OC)CC2)s1 1148853840 JIKAFHGSMRLBPL-UHFFFAOYSA-N 401.510 1.102 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1 1167414370 ZZAZOBZXSPYWNV-CQSZACIVSA-N 404.410 1.528 30 10 HDEE COc1cc2c(cc1OC)C(C)(C)N(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1176218876 GJBCRYDALNWKML-UHFFFAOYSA-N 412.446 1.548 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 1176555304 JYSWWDZBRSGXRB-JLMWRMLUSA-N 413.497 1.122 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180099610 HBULRTDKVZXXDF-GOEBONIOSA-N 407.430 1.546 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 1213515084 MONRBTKXDCAWOD-LJQANCHMSA-N 420.531 1.968 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)C2)nc1 1254496442 ALJHYBCBBVQVTD-AWEZNQCLSA-N 409.450 1.308 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(=O)C[C@H]3C3CC3)CC2)cc1 1276903534 UBMOJITZZLTVMU-FQEVSTJZSA-N 415.515 1.929 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCNC(=O)C1CC1 1282733651 VNXIBFIDGRLRRJ-GJNTUIEKSA-N 403.523 1.522 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1286375303 VUZTXUZFNYIBHY-HRAATJIYSA-N 419.526 1.613 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286397273 YRAORPWRHDOSHQ-INIZCTEOSA-N 407.540 1.087 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286399128 ZGMJXYCMPZDMQP-RCCFBDPRSA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCCn1cc(CO)nn1 1286408535 GSTZUVGTJZLVDA-UHFFFAOYSA-N 403.490 1.424 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286410255 ZVWABPLAVCMVNL-QGZVFWFLSA-N 400.479 1.516 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1286433460 UWELVWJVNFCBDY-UHFFFAOYSA-N 424.549 1.962 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1286450132 DCBGFIWXBNGMPZ-CQSZACIVSA-N 421.571 1.254 30 10 HDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1286604239 HGHFVFJDQDBFAB-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286612705 XAGRWDOKNLUPSV-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1286709058 LKILIRWZLPZISY-HNNXBMFYSA-N 413.478 1.933 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1286759366 BJVZGCSSCDIJEH-UHFFFAOYSA-N 408.510 1.828 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1286792775 HMMUZDOYKUURDN-AUUYWEPGSA-N 413.469 1.714 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](c3nnc4n3CCC4)C2)nnc1C(C)(C)C 1286792786 HXLFDMVZFMQQRT-OAHLLOKOSA-N 412.542 1.800 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)C1 1286813015 VUJPKHYDRIWKEH-LSDHHAIUSA-N 411.453 1.606 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1286924480 HJRPLCZOPYBRDE-QGZVFWFLSA-N 419.493 1.346 30 10 HDEE N#Cc1cn(CC(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccn2)c(=O)nc1O 1296035458 HFYHNAXVMVRRKC-QGZVFWFLSA-N 409.833 1.969 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1298426930 QZMNQGXXNPURSJ-MRXNPFEDSA-N 401.444 1.158 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1298755820 VKQVWMLWMOZSJC-HXUWFJFHSA-N 411.458 1.821 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1300274684 YMQJJXGJNYUMMJ-SRVKXCTJSA-N 411.450 1.314 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1300296040 QEMWZXYXVYAHIO-JZXOWHBKSA-N 416.551 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1300303245 HVAGEYOPZZTIJV-OAHLLOKOSA-N 416.489 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1300309528 UMEOXZMRFYDNSB-SJLPKXTDSA-N 411.510 1.325 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@]1(C)CCCO1 1300440324 UFTPPRHHFIYMIB-FQEVSTJZSA-N 417.535 1.834 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300487181 HKTFDDDLNHRBLQ-DOTOQJQBSA-N 405.524 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CC(OCC)C1 1300538446 QDODFPQUFMWAPR-WEQDKIBNSA-N 422.485 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(-c2ccccc2)c1 1300578662 FLSQKMREQPFBCG-FQEVSTJZSA-N 413.485 1.926 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1scnc1C 1300780741 VPTRTQOYJSACNI-KBXCAEBGSA-N 422.580 1.888 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C 1301172808 NOYQUFISGZZSPL-XOBRGWDASA-N 421.519 1.948 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301222085 RWTUVCJWGQXLIZ-KRWDZBQOSA-N 417.535 1.882 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301459337 XXALBRJBCOEOMR-ZDUSSCGKSA-N 414.491 1.651 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1nnc(O)c2ccccc12 1301520556 ILIBPLOLQXIWBZ-UHFFFAOYSA-N 405.422 1.373 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1301585235 IYSPRDBYGKMQDA-VCBZYWHSSA-N 407.540 1.599 30 10 HDEE CC(C)N(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1303835884 FXVOWDFEMCKAIY-YOEHRIQHSA-N 415.539 1.061 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)C1CCOCC1 1303898527 DOWMNCVKYPYEDW-GDBMZVCRSA-N 406.508 1.338 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCSC[C@@H]3C(F)(F)F)CC2)o1 1308147783 BJKVMQYPFUYKJQ-CQSZACIVSA-N 417.457 1.873 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)C2)nc1 1309542034 GNVPVWPZZGHVKR-JKSUJKDBSA-N 401.444 1.576 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 1312470434 VHJMOXJHYHXBEQ-ZIAGYGMSSA-N 415.450 1.690 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](CC(C)C)CN3CCCC3)CC2)c1C#N 1312738370 ABVYEJJOQPHGLM-SFHVURJKSA-N 401.559 1.942 30 10 HDEE CCOCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1314283030 MMDSVFHADUMJFX-CQSZACIVSA-N 416.482 1.797 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)C1=O 1314921490 WEABUWHGAHTHBO-YJYMSZOUSA-N 418.860 1.945 30 10 HDEE COCc1nocc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1315875891 OGKGMEVQKUTQRP-OAHLLOKOSA-N 400.464 1.842 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1358887386 WBOYUONGZDGGGL-GFCCVEGCSA-N 405.480 1.041 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CCOc1ccc(S(C)(=O)=O)cc1 1358898834 BGJRIZBCRTWEKG-HNNXBMFYSA-N 406.508 1.755 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1358938358 YWZMFCXHGNAGGB-UHFFFAOYSA-N 404.434 1.534 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1358938635 GTTCCCOCIGVCHS-HNNXBMFYSA-N 407.544 1.311 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1359001968 ISKMBIJCMUVBCW-OAQYLSRUSA-N 403.527 1.255 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1359007262 BNCPMZDMGJADRE-OAQYLSRUSA-N 408.462 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc2c(c1)C(=O)NCC2 1359022580 FYSKJXATQKKXKS-UHFFFAOYSA-N 404.474 1.693 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359054512 XZPQZPRRSYROBT-SFHVURJKSA-N 414.579 1.809 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1359135246 XESMDSJPBRYWBT-UHFFFAOYSA-N 419.551 1.870 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359157514 LRYLDPBQPKCLGH-ZNMIVQPWSA-N 418.947 1.768 30 10 HDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCNS(=O)(=O)CC)CC1 1359167766 UAOYUSFVRKDYDR-UHFFFAOYSA-N 419.551 1.995 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1359240023 DFTZXHAVICTKJW-QGZVFWFLSA-N 417.535 1.541 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1359287515 HPOHIFIPPOXIMI-BBWFWOEESA-N 409.556 1.814 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359292649 UXTNWTSPLRPQBF-HNNXBMFYSA-N 422.530 1.434 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359296555 MUIXJZRXPYLTIQ-GOSISDBHSA-N 407.478 1.559 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359297396 OXSNHXANGQKNPD-QGZVFWFLSA-N 408.510 1.932 30 10 HDEE COc1cc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc(Cl)c1OCC(N)=O 1436894064 HYNVIRYIVMDRFJ-UHFFFAOYSA-N 416.821 1.804 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)cc1 1454589196 VWXQFZPZMCHFHX-FQEVSTJZSA-N 413.499 1.393 30 10 HDEE CC1(C)CC[C@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)N(C(=O)OC(C)(C)C)C1 1454733435 PWQZNGFIKBLBQV-CQSZACIVSA-N 419.482 1.362 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC1CCN(CC#N)CC1 1457615419 NKARDYJNYSSTJF-QGZVFWFLSA-N 409.531 1.146 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc4c(nc3O)CCC[C@@H]4O)C2=O)cc1 1466821120 CIARDXSUZSTSNS-OALUTQOASA-N 406.442 1.954 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 1470830450 XODSNBVNYDACMW-UHFFFAOYSA-N 419.551 1.900 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1471091596 NWGYZEROWNWOCD-UHFFFAOYSA-N 415.475 1.013 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)c1 1471139443 UFCOGVVUIRRWER-UHFFFAOYSA-N 419.453 1.839 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)Nc2cccc(CC#N)n2)cn1 1471517429 PCEFEFBASJLFRZ-UHFFFAOYSA-N 402.461 1.996 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cnn3cc(Br)cnc23)n1 1475261914 QEOFWZLXFBZZOP-UHFFFAOYSA-N 423.296 1.532 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1475378309 LOQMKYRQQOHVLV-QZTJIDSGSA-N 422.503 1.520 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1475378990 ANFWTFVUKISYKI-RBUKOAKNSA-N 406.504 1.842 30 10 HDEE C#C[C@H](NC(=O)NC1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 1478607071 IZTPDXOWSLBWSE-FVRSWCFKSA-N 419.279 1.943 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1492162632 YLBUYJRORUWLCU-FZWBFHRNSA-N 403.523 1.236 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507628813 ILPRKJMLQHSVQW-DLBZAZTESA-N 415.519 1.393 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1507678743 LWRZJFNZERZUAI-NRFANRHFSA-N 405.543 1.941 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cnn(Cc3ccccc3)c2)CC1 1507736488 QCAJJJSMRVVDPE-UHFFFAOYSA-N 417.517 1.845 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCC(=O)NC 1507809180 UJRDJSAIFBKVBY-DKKFBQAASA-N 421.542 1.556 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1507844596 MBHUBWIQEBRNKX-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1507853049 GHVWFIADKHFUKX-NSHDSACASA-N 405.908 1.030 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1507868235 GGZQBIACHDXJQV-CABCVRRESA-N 417.963 1.988 30 10 HDEE C=CC[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1ccccc1 1507929603 RQMSNSMJZMOFCJ-GOSISDBHSA-N 408.506 1.697 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1508422222 IFOXQXWPRQBSHY-OAHLLOKOSA-N 400.450 1.960 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1515476447 JKDGGBJQSFGBTM-MJGOQNOKSA-N 414.531 1.917 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1515568525 CHINFACBTGWDMM-YADHBBJMSA-N 421.501 1.442 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCSCC2)CCOC1 1516127488 ASVUEUDOVFXEIA-VQIMIIECSA-N 408.572 1.575 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3Cc4ccc(C#N)cc4C3)C2=O)cc1 1530403577 MUUNSMIGKITFEH-JOCHJYFZSA-N 404.426 1.876 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(c3ncc(Br)c(OC)n3)CC2)nn1 1531907735 GARIHAWDCAPPCA-UHFFFAOYSA-N 422.287 1.378 30 10 HDEE C=CCC1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCC1 1532538183 IBEOTJJZKFYXNK-UHFFFAOYSA-N 405.520 1.673 30 10 HDEE CCn1c(NC(=O)[C@@H]2CC(=O)N(c3cnn(CCOC)c3)C2)nc2cc(C#N)ccc21 1537589358 FIBONCZRLMDLDZ-OAHLLOKOSA-N 421.461 1.762 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539079641 YBSVHTGZPHBOSG-MRXNPFEDSA-N 413.482 1.473 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)no1 1539155046 SGRVLOMOGMZHTJ-UHFFFAOYSA-N 413.507 1.961 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539230828 LHLVUNYYIRYURT-IXDOHACOSA-N 406.508 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccccc1 1539284048 FQAMKBOWVRUBBI-QHCPKHFHSA-N 405.502 1.885 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1nnc2n1CCCCC2 1539407451 BZKGODCSCVYTRL-UHFFFAOYSA-N 422.537 1.930 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCN1CCC 1539414823 ZKSSLMDJYDLEAJ-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CCOC)c2)CC1 1539829932 KVRJDKBQQBXHRE-UHFFFAOYSA-N 422.493 1.973 30 10 HDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539998385 HFUVDLHCDHTGLJ-JKSUJKDBSA-N 402.499 1.959 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](OC)C1 1540865018 RSSGOFQHJPBWQM-HNNXBMFYSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540870827 XTZDXWPAPQAOAR-JKSUJKDBSA-N 415.498 1.897 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540872469 QFMPTYIJHCMIOS-RDJZCZTQSA-N 412.469 1.025 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2conc2COC)C1 1540882053 APQOLKKWFZTVIU-OAHLLOKOSA-N 404.471 1.380 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541704534 ZPPGTTHSDXVCRU-MRXNPFEDSA-N 411.466 1.189 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541803085 CDWDUFLYQRZRES-ILXRZTDVSA-N 416.448 1.783 30 10 HDEE COCCN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1542377859 OVPSQYCKFXHEBC-WUZYXKQASA-N 420.554 1.954 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CN(C2CC2)C1=O 1545826527 PAOSKJOZWDDTEK-SZNDQCEHSA-N 415.542 1.946 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)cc1OC 1554849564 BSPDHXJRZTURDG-IBGZPJMESA-N 402.430 1.492 30 10 HDEE COC[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555352391 PEJODYYLPCTOHU-GJZGRUSLSA-N 419.507 1.556 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)c(=O)nc1O 1557120671 BFRFOZATJJBSQX-UHFFFAOYSA-N 401.448 1.743 30 10 HDEE Cn1cncc1[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1557698232 VFBDGHFDIBJZSE-YCTJDYOESA-N 403.483 1.357 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(F)(F)F 1558443612 ZZPZAZRNKFDHKC-TZMCWYRMSA-N 405.398 1.718 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CC1 1565017686 SCDCCDJUHXLBRE-HNNXBMFYSA-N 411.424 1.780 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@H](O)C[C@H]3OCC)c1 1565910848 HHFUABMNYFNKDY-RTBURBONSA-N 405.516 1.876 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cn1 1568549506 ZXJAGAROQNVGDM-WBVHZDCISA-N 403.527 1.358 30 10 HDEE C#CC[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)OC 1570221793 WHMLDAZPWUZRTB-ZDUSSCGKSA-N 424.194 1.427 30 10 HDEE C[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1583899882 CFRJZVSNHROWRP-VIFPVBQESA-N 421.260 1.526 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CC(=O)Nc1ccc(Br)cn1 1584757215 VJFLCCVXWKLOAS-UHFFFAOYSA-N 404.224 1.836 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3ccccc3OC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585131773 FUSVDXANNRXXNV-BBRMVZONSA-N 402.394 1.915 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1587755236 VLFRQHLSFFWTCK-UHFFFAOYSA-N 405.466 1.125 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1588843485 CWXOYEFQHOJMFL-CYBMUJFWSA-N 405.314 1.561 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1589163103 IBMYDNBODSYJMR-OSZJIOELSA-N 418.538 1.974 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1593636124 HHOUJQQKKJDZTE-JKSUJKDBSA-N 410.540 1.531 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1594885794 PQSQMWKJLZUBBW-UHFFFAOYSA-N 401.496 1.507 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1595570141 YSDSJAIOGRZVNB-CYBMUJFWSA-N 400.449 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595797436 GLUGFVBJFMKERS-IXDOHACOSA-N 412.556 1.982 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595866314 GBVIYOGARDTZLE-UHFFFAOYSA-N 424.534 1.846 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1598054854 LWMIVDGGEIHWGW-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1611250427 ALQRLFOHNUSPOP-HNAYVOBHSA-N 413.540 1.177 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ncns4)CC3)ccc2c1=O 1611330503 MMPSUPQDNQMAAE-UHFFFAOYSA-N 414.516 1.685 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)CC1 1611772006 ICTLZAZBGXUMCQ-UHFFFAOYSA-N 406.450 1.775 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCS1 1612916825 FWNKABWGDMKUEL-CYBMUJFWSA-N 406.537 1.308 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1615907146 AYYDDWUTQHNSAL-KRWDZBQOSA-N 423.521 1.681 30 10 HDEE C[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCN(C)CC1 1615912291 SAJQOSGRVUXYOB-SFHVURJKSA-N 406.571 1.637 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1616964827 AWJIREYWBJTNSM-IBGZPJMESA-N 422.551 1.251 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC3(CCNC(=O)O3)CC2)cc1 1618080214 LTUPMSKFRKPTFO-UHFFFAOYSA-N 405.476 1.869 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1619210347 BWTAHHXUGDGSGU-LPHOPBHVSA-N 412.494 1.403 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1619589710 IJZSAZARSYKBRV-AYBZRNKSSA-N 424.505 1.726 30 10 HDEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1619618317 GDSDZUUGRHXRSQ-QGZVFWFLSA-N 422.468 1.918 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)c1 1625080845 GLHLVVVYKFKHPZ-UHFFFAOYSA-N 419.485 1.996 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2coc(-c3c(F)cccc3F)n2)CC1 1627014741 CJVLUVHFSQXTTO-UHFFFAOYSA-N 402.401 1.517 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(CCN2CCC(C(N)=O)CC2)cc1 1627607606 RQWRVQVNJQARID-UHFFFAOYSA-N 407.474 1.959 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)o1)S(C)(=O)=O 1633446225 MLYLIPHUBXSMBO-OAHLLOKOSA-N 417.491 1.199 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n1 1635507933 FFLSIIGQLXBQJL-JKSUJKDBSA-N 407.515 1.976 30 10 HDEE C=CCC[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1635697478 CGLKSAWLHUGUET-CABCVRRESA-N 411.499 1.516 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)CC1 1637886087 OSKVLPKDZARHQR-OAQYLSRUSA-N 409.534 1.611 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c(C)n1-c1ccc(C#N)cc1 1638773495 SMTWTAAHBOOOSY-WOJBJXKFSA-N 413.499 1.994 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Br)C(=O)OC 1638832305 NELTZGNFFCVOAP-CYBMUJFWSA-N 402.266 1.537 30 10 HDEE C#CC[C@H](NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)C(=O)OC 1638832696 SPAWGQVELCWRDA-AWEZNQCLSA-N 400.435 1.654 30 10 HDEE Cc1cc(C)cc(N2CC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)c1 1639822105 RFPCFCLSDZTSHW-RIFZZMRRSA-N 401.488 1.053 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CN(C(=O)OC(C)(C)C)C1 1641811879 IRPZZHYOQVEFGJ-UHFFFAOYSA-N 411.455 1.814 30 10 HDEE C=CCn1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)nn1 1643217811 XVLCCKIIMUDCEE-UHFFFAOYSA-N 401.268 1.851 30 10 HDEE COc1cc(Br)c(Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1OC 1644183610 JSNOSDBFLYVNKW-UHFFFAOYSA-N 424.251 1.010 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 1644942649 DLWRZOGQMILHSC-UHFFFAOYSA-N 403.298 1.640 30 10 HDEE CCO[C@@H]1CN([C@@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1646922913 ROAUSGHGUWAQHQ-KZNAEPCWSA-N 402.495 1.946 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)C1=O 1647405140 QYLLOLLYUGAVOL-RDBSUJKOSA-N 419.444 1.627 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCSC[C@@H]2c2cnn(C)c2)CC1 1648449532 LIMUVBLXFPKMJM-RBUKOAKNSA-N 404.584 1.592 30 10 HDEE C=CCN1C(=O)C(=O)N(C[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)C1=O 1651573153 CVSRGTIITSANEX-AWEZNQCLSA-N 407.467 1.769 30 10 HDEE COC(=O)CCN1CCC[C@H](N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1652426688 KYIXMTXJHXGNPO-FQEVSTJZSA-N 421.501 1.783 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)CC1 1652646149 ALTVJTLYWAKVCV-UHFFFAOYSA-N 422.894 1.067 30 10 HDEE C=CCO[C@@H]1CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 1652994459 UGIXEYIQSZRWQY-ZWKOTPCHSA-N 401.463 1.676 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)[C@@H]1CCS(=O)(=O)C1 1664181581 DFRIMBDROWNSPW-CQSZACIVSA-N 405.476 1.698 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)cc1 1669291061 HYMRIXRIUJDEAF-UHFFFAOYSA-N 423.468 1.812 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1669346292 CQNQEPXGVZSYLZ-HKUYNNGSSA-N 407.536 1.871 30 10 HDEE C=CCn1cc(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)nn1 1669875402 UVHZRXFXMKVBAJ-RUZDIDTESA-N 409.415 1.845 30 10 HDEE CCOc1ccc(N2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)nn1 1670540986 BSTQXSAYTXXCBJ-UHFFFAOYSA-N 405.455 1.705 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 1672485180 QZQKNRAPUQQMLY-OAHLLOKOSA-N 410.540 1.943 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1672601393 MWHFYZLCIJLDJE-HNNXBMFYSA-N 407.492 1.593 30 10 HDEE Cc1c(Br)cccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1673966419 QFXNJZNDCHXBPB-UHFFFAOYSA-N 418.251 1.658 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1683324115 QTVZVDOUGRIQMQ-RDPOXOKHSA-N 416.547 1.334 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)NCCOC(F)(F)C(F)(F)F)C[C@H]1C(F)(F)F 1683839349 KEYYKWSGKKJMTQ-RNFRBKRXSA-N 422.294 1.775 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1 1686921698 QUBPTFBZHNSEDL-JLJPHGGASA-N 422.304 1.703 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1689973610 JEDMKGTTXMBVHQ-UHFFFAOYSA-N 418.519 1.175 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689996978 SMXOQEKJWDWKLE-UZLBHIALSA-N 424.567 1.383 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1690520084 IXDFYWMEFYNQLC-WMZOPIPTSA-N 410.482 1.595 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1690594835 HTWRFNOICBBJRN-MRXNPFEDSA-N 421.567 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)OC 1690723066 GLNSDGPRZPGKRN-UHFFFAOYSA-N 404.452 1.192 30 10 HDEE C[C@@H]1CCC[C@@](Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)(N(C)C)C1 1693625714 FBFQDYAXUVONEW-CBGDNZLLSA-N 410.526 1.974 30 10 HDEE CCOCc1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696271110 RQMXMKLCTRGQDK-JSKCELRFSA-N 418.498 1.345 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1698218529 XJGCALQVXIXHPA-INIZCTEOSA-N 412.494 1.537 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1705541641 OGSOXKMMPKPZSZ-GFCCVEGCSA-N 411.915 1.668 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705546955 QXNHVMVQTKDFSU-AWEZNQCLSA-N 407.927 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN(C)C(=O)OC(C)(C)C 1705571803 IOYYUDSNQGVDPG-UHFFFAOYSA-N 416.526 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1705604545 OHFBXNLNYHACEH-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1705611656 LLJSFFQYJCEZBM-AWEZNQCLSA-N 419.507 1.433 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705641089 PRJJRFGHRSSCKD-KRWDZBQOSA-N 402.449 1.443 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1705729351 UINAJJVOIRGMHS-UHFFFAOYSA-N 413.544 1.022 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705889961 NYICKKWCNCKSSB-JKSUJKDBSA-N 409.494 1.974 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](F)COC)C1 1705922192 HYDJPFPHLXBGLY-KGLIPLIRSA-N 407.446 1.772 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1705926717 JPBCSLKCCNZQQA-AEFFLSMTSA-N 417.535 1.480 30 10 HDEE CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1706056081 DUAMTYYLOFQZPT-ZBFHGGJFSA-N 416.457 1.812 30 10 HDEE CN(Cc1ccon1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1711126244 VNSQEOWRUWWVPZ-UHFFFAOYSA-N 415.479 1.380 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(C)(=O)=O 1722347217 GACFKOYGNGWVQQ-UHFFFAOYSA-N 406.508 1.855 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722362333 NEVNWEDKDZZZBT-INIZCTEOSA-N 418.519 1.351 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCC(=O)N1CCCCC1 1722425764 LQWHLDZHHOJVDC-UHFFFAOYSA-N 410.522 1.753 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(CC)noc2C)CC1 1722450665 OVPKOUUPAKYZDB-UHFFFAOYSA-N 414.510 1.688 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C1CCC1 1722699788 YINWHGAAQUUNBT-HOTGVXAUSA-N 407.540 1.251 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Cl)cn2)C1 1722721818 VYWLHSDGOKBEDU-MRXNPFEDSA-N 419.917 1.732 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1726746009 MPRGSYQPFRQJOT-HMWBCQRISA-N 411.466 1.035 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1740600109 IELSRGZXHSQIDO-UTKZUKDTSA-N 414.510 1.400 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740629690 WLTTVXDKGBYNLX-JKSUJKDBSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1740645684 QQNAVOVLEIIEQN-SJLPKXTDSA-N 423.521 1.423 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1740663292 FOFCSUPQRURHAL-QHCPKHFHSA-N 423.517 1.724 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nncn1C 1740680860 QBUJISPCUWLWQP-UHFFFAOYSA-N 417.477 1.598 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCN(CC)CC1 1740683122 VGXHBIFWDHGPFK-LJQANCHMSA-N 413.570 1.396 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740713262 ADQYWULXOFJJOA-QGZVFWFLSA-N 424.530 1.784 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1740862412 RLWLITSXNDUXRV-MRXNPFEDSA-N 401.515 1.580 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1740867570 OFMDJRJLRVACJD-UHFFFAOYSA-N 409.494 1.998 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740874192 PAGYPENJCSJLTQ-RTBURBONSA-N 415.586 1.800 30 10 HDEE C=CCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740949576 LNBRKPVFJQUNHO-QAPCUYQASA-N 413.544 1.023 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)C1 1740959495 XQALRKUDZGAFBS-CQSZACIVSA-N 417.539 1.387 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1748049932 FZTYOBALXBBUOS-LIRRHRJNSA-N 420.876 1.533 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748359484 GUAARLCXZORNGF-GOSISDBHSA-N 412.494 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1748667014 LRVKVENOKPEFMS-CVEARBPZSA-N 414.510 1.311 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1748719418 XKCOJUDGZDKGOE-MRXNPFEDSA-N 408.524 1.373 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)COCCO1 1748829097 TWVBDMXHSLDWCY-SFHVURJKSA-N 418.295 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1748892208 LFCUINSPVVIZLV-GOSISDBHSA-N 412.515 1.722 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCOCC2)CC1 1748984071 LBGBGSXENUGERM-UHFFFAOYSA-N 422.533 1.258 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC(C)(C)C2)CC1 1748994263 WJXMNYQJQQNCBG-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749126647 FJZDEPZQNBEECC-VYDXJSESSA-N 405.524 1.878 30 10 HDEE C=CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749440064 QNMFOMJDUMOCRI-LLGFUMIMSA-N 403.527 1.859 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)C1 1749707813 GRNNMIKLKJFYLM-XUVXKRRUSA-N 419.570 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C)(COC)CC1 1749730694 NETMBEXJYBQTBD-UHFFFAOYSA-N 420.539 1.589 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CCO1 1750386131 HQGBCFWJSLGOMX-SWLSCSKDSA-N 423.445 1.235 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC 1760120453 LRHIZNIGVRUGKJ-HNNXBMFYSA-N 400.508 1.288 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCCCS(C)(=O)=O)c1 1760125647 KBSVFJLVZWTJLW-UHFFFAOYSA-N 417.535 1.858 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C2CC2)CC1 1760255185 VTCGUHLFBMVNPT-UHFFFAOYSA-N 412.925 1.880 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760277290 GEBUKZGONPOPET-KRWDZBQOSA-N 415.544 1.806 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760445690 SHSGMKDVLWEGHC-KRWDZBQOSA-N 418.542 1.602 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760450522 MRGUWQBWYJWAQL-QGZVFWFLSA-N 403.527 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)C)C1 1760549778 MJWWDYZOJURQAQ-MRXNPFEDSA-N 404.515 1.097 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1760698833 QGTUZICZIGKJDV-CVEARBPZSA-N 402.499 1.540 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCOC(C)(C)C 1761482237 XMBSDESXODHSPR-AWEZNQCLSA-N 412.560 1.833 30 10 HDEE CCc1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762970903 BAAGJBBZSDUAJT-FZFLATATSA-N 424.509 1.169 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(CC)C(C)C 1764186969 AICSIMOQKHVOME-QGZVFWFLSA-N 405.547 1.656 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765914655 ZTBXWZKIBDUITD-JLTOFOAXSA-N 414.466 1.110 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@H]2CO)cn1 1767455329 JIWFNZIORLVCNZ-PXNSSMCTSA-N 416.505 1.357 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1768464679 TXRZYSQLPLOZEP-UHFFFAOYSA-N 420.477 1.063 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)CCO1 1769241423 BJDFMUJHMGCXFP-INIZCTEOSA-N 414.535 1.910 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OC)c1 1770050083 IPTFLYKSASDNCK-MAUKXSAKSA-N 401.467 1.788 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)cc1 1770087333 SSEFKGVBDJKNTQ-GOSISDBHSA-N 422.445 1.592 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N(C)C 1770204092 CENSQHVALIWFSZ-RIFZZMRRSA-N 404.515 1.610 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1772564418 XUJGHZQTQZTQAB-HZPDHXFCSA-N 420.539 1.203 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)=NO2)C1 1772787412 IBCYDOYQAORSCO-HXUWFJFHSA-N 415.402 1.897 30 10 HDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(C)c1)[C@@H]1CCN(C)C1=O 1849201841 RFWRPCNMFSTJHX-RBUKOAKNSA-N 421.563 1.933 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#Cc2cccnc2)cc1 1850152998 WPIHWKUUTITHBO-FQEVSTJZSA-N 413.499 1.801 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CCC(=O)N2c2ccccn2)CC1 1850177219 HYGJYVIPEAFANR-SFHVURJKSA-N 404.474 1.876 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 1851049674 MSHJBGHRBJNCQE-XHDPSFHLSA-N 401.847 1.383 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCCNC(=O)c2cn3cc(Cl)ccc3n2)CC1=O 1853335979 OURGZUWOWWZIBR-ZDUSSCGKSA-N 404.854 1.685 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1=O 1853839588 RSCLOIPLHXNHFG-ROUUACIJSA-N 403.504 1.587 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)C(=O)C12CCCC2 1854396756 WQYDFAXFERZNDD-IRXDYDNUSA-N 401.488 1.627 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1CC(=O)N1CCCCCC1 1854542609 GQUDUSKRFTYJTO-GOSISDBHSA-N 410.518 1.953 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854626930 NWUMJTJHFPNDSR-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F 1854822480 BJFUDUDPSFLEGZ-SNVBAGLBSA-N 405.354 1.247 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)c2nccc(N3CCOCC3)n2)C1=O 1855834314 ILVYQJXDLMJCAE-ROUUACIJSA-N 413.522 1.875 30 10 HDEE Cn1cnnc1CN1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856034311 PEBFEZZODLYVJM-IBGZPJMESA-N 406.490 1.517 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ncc(Cl)cn3)C2)C1 1856392073 IETTZNLAKIGDRZ-LBPRGKRZSA-N 412.837 1.149 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857056412 MWKVCEMODMHCJR-KXBFYZLASA-N 419.472 1.991 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O 1857367381 AMFBZGFFYXRQKI-UHFFFAOYSA-N 401.430 1.233 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)CC1 1857503524 IDEZNYPZPOEWTI-GOSISDBHSA-N 403.504 1.917 30 10 HDEE CN1CCC(=NC(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)NC1=O 1866022632 DBGBXSWUHUPSHW-UHFFFAOYSA-N 421.251 1.796 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCc3ccccc3)ncnc21 1875228201 FHOYDOIZZCBWLG-UHFFFAOYSA-N 409.490 1.699 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3Cl)CC2)CC1 1890974967 FXZLETWXJSWWFR-UHFFFAOYSA-N 404.942 1.997 30 10 HDEE COc1ncc(Br)cc1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1891052517 VWEANAOMZBNGQU-UHFFFAOYSA-N 403.240 1.475 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCNC(=O)CC2)[C@H]1c1ccc(C#N)cc1 1891995644 XYSSTMVIEYZJOI-RTBURBONSA-N 400.504 1.300 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 1982298009 MGMOKVLCDPSQTM-GFCCVEGCSA-N 413.334 1.840 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ncc(C#CCO)s1 2029214222 CYYJLXJXKNMDGU-UHFFFAOYSA-N 419.484 1.305 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2118165572 CLNRVFXWQQGHKA-NVXWUHKLSA-N 416.459 1.315 30 10 HDEE C[C@H](O)CN(CCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)OC(C)(C)C 2174783281 ANSATLNZFLTPEX-LBPRGKRZSA-N 401.460 1.594 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221679841 LWWAJGDLVMOCMX-DZGCQCFKSA-N 411.296 1.995 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCOCc1ccccc1 2243411825 AUXZPSUUGNMVGV-UHFFFAOYSA-N 421.328 1.214 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822727 IRBQFVHWMTUNEO-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2247913517 XCBKDOQQUPIBJR-UHFFFAOYSA-N 423.319 1.546 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247918739 MWZIVONFVBZTFD-TZMCWYRMSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCCC#CBr)C1 2250144280 AQNBISPQHWKXPL-AWEZNQCLSA-N 400.317 1.932 30 10 HDEE Cn1cc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2255623728 QWVRVVAULKLPHS-IAGOWNOFSA-N 422.338 1.580 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)S(N)(=O)=O 2267124258 IWYHRQLPQJAIDQ-QMMMGPOBSA-N 408.738 1.108 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CC(C#N)C2)[C@H](C(F)(F)F)C1 2281054999 CPUBZDTZODGISW-RYUDHWBXSA-N 412.434 1.607 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282414030 NCOZIILUKDZWSY-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CN([C@@H]1CCC[C@@H](N)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498770 JGKFNPSHZUWKDB-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCNCC2)OC1(C)C 2282505395 CPMPJRSZBBEDDR-GFCCVEGCSA-N 401.363 1.004 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)O 2282511851 PGPARUZVPLKZPJ-PXAZEXFGSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@@]3(O)CCOC3)sc2Cl)OC1(C)C 2282620169 BKFRDPMJXZRJJI-QGZVFWFLSA-N 401.721 1.972 30 10 HDEE CNCC(C)(C)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282842036 ROWKHHNUNHGZTQ-UHFFFAOYSA-N 402.391 1.880 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCNC34CC4)cc2Cl)OC1(C)C 2282842761 CNZCWEKQYKULTR-LLVKDONJSA-N 418.777 1.874 30 10 HDEE CC(C)N1CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282844346 BZGXCWCYSNXTAH-UHFFFAOYSA-N 400.375 1.559 30 10 HDEE CN([C@H]1CCC[C@H]1CN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854138 NUUORCVZAXJFPB-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282872238 SQVHCBLVVMJFQO-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE C[C@H](C1CNC1)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881960 FJNRGDMCGZLARZ-GFCCVEGCSA-N 400.375 1.417 30 10 HDEE CNCC(C)(C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882540 NIENEJXAZIYXHE-UHFFFAOYSA-N 402.391 1.712 30 10 HDEE CC1(C2CCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)CC2)OCCO1 2283068167 KHGITJKGZIRQDH-UHFFFAOYSA-N 403.288 1.391 30 10 HDEE CCSC[C@@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284374145 SGFGZDAMEMGAGL-SNVBAGLBSA-N 400.331 1.687 30 10 HDEE CCCSC[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284379094 VQCXJRZKCBJTKW-NSHDSACASA-N 400.331 1.769 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284404453 YRLBLFQJCMTRGE-LLVKDONJSA-N 403.331 1.682 30 10 HDEE C[C@@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2295334815 BBCXEIVAMSCDFK-CQSZACIVSA-N 423.340 1.872 30 10 HDEE C#CCn1ncc(NC[C@H](CNC(=O)OC(C)(C)C)OC)c(Br)c1=O 2317674155 GFHYJUXCROUDSF-LLVKDONJSA-N 415.288 1.591 30 10 HDEE Cc1nn(C)c(C)c1C=Nn1c(SCC(=O)NC2CCCC2)nnc(C)c1=O 2321655122 AWZYVKKUAYCJST-UHFFFAOYSA-N 403.512 1.330 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2338488047 SGMXEXZZFUXDQJ-DENIHFKCSA-N 402.491 1.547 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2365202452 DUVVRYKIYCYCNC-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE C[C@H](C[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365243919 QESVTBXEUSHABE-ZIAGYGMSSA-N 405.513 1.976 30 10 HDEE C[C@@H](C[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)NC(=O)OC(C)(C)C 2367790744 WOMULRROROVSGB-UONOGXRCSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367799181 YMBKMZVLRZNJPW-HNNXBMFYSA-N 401.525 1.734 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367816954 QPNNJUJDLPZJLE-ARFHVFGLSA-N 402.557 1.599 30 10 HDEE Cn1ncc(S(=O)(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)n1 2369903185 AIOUJIVXDUGAAS-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 16893826 UOHJUOHQPKUZHR-AWEZNQCLSA-N 423.882 1.716 30 10 HDEE C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294972 OMSCYTGCBXLXHI-CALCHBBNSA-N 404.536 1.654 30 10 HDEE C#CCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 111191911 KUGRXTLUWHTJPM-ABSDTBQOSA-N 419.547 1.361 30 10 HDEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1ccncc1 170359087 OGMMOHFQLVRWBO-MRXNPFEDSA-N 401.444 1.854 30 10 HDEE N#CCC(=O)Nc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 219584934 XXNQGIPHMPQGJZ-UHFFFAOYSA-N 407.342 1.682 30 10 HDEE CSc1ccc(NC(=O)Cn2cc(NC(=O)[C@H](C)n3cnc(C#N)n3)cn2)cc1 409673257 YGXRJYABEXUBAU-LBPRGKRZSA-N 410.463 1.907 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1ccnn1C 410292042 VZPUCEDYZCHWEA-KDOFPFPSSA-N 401.492 1.712 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(O[C@H](C)C(=O)N3CCN(C(C)=O)CC3)c2c1 440091441 KTJPCBVEVRMOBB-CYBMUJFWSA-N 412.446 1.582 30 10 HDEE C=CC[C@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 440271506 SSXDQMRPYAPUOK-HNNXBMFYSA-N 408.524 1.032 30 10 HDEE C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[C@@H]1N1CCN(C)CC1 462086711 WFKLNCRHUALNFR-APWZRJJASA-N 408.510 1.629 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 469930279 WKTXAFBVSBCBTN-LJQANCHMSA-N 421.563 1.868 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(C#N)cn1CCOC 481486975 AQDURKKMQLHXIT-CFVMTHIKSA-N 417.466 1.314 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484359 GRGLBQCSIBIGKO-VBKZILBWSA-N 408.506 1.940 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N 489137916 ZHXAWTPJDBHTSL-CQSZACIVSA-N 414.487 1.959 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(OC)c1 490048748 MJCVKQIKGFGCEA-AWEZNQCLSA-N 419.459 1.821 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(C)cnn2C)c1=O 505660974 KDAAQKMPLZOKST-UHFFFAOYSA-N 406.511 1.978 30 10 HDEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 505923150 QHNMCDFONQEGSC-INIZCTEOSA-N 405.476 1.277 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](O)(C(F)(F)F)C1 508465522 QLFNDSVKDXZIMF-GOSISDBHSA-N 420.395 1.882 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CNc2ccn(-c3cccc(F)c3C#N)n2)C1 510110667 VZFLJVDZYHKXRN-INIZCTEOSA-N 414.485 1.768 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@H]2C1 534394845 HPWUNCRLHAKMCP-IKGGRYGDSA-N 407.492 1.205 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)CC2)n1 546874897 NYGHULYFPHKJCY-SFHVURJKSA-N 409.515 1.897 30 10 HDEE C[C@@](CNC(=O)c1ccc(C#N)cn1)(NC(=O)c1ccc(C#N)cn1)C(F)(F)F 551368078 IVRLBCQIELFSHH-KRWDZBQOSA-N 402.336 1.701 30 10 HDEE CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN[C@H](C(=O)/C=C/C(=O)O)C2)cc1OC 585833526 DFBDRNBANRVHHT-CGNDVRSXSA-N 402.447 1.554 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 590914028 ORKDRVUNGKTGHR-AWEZNQCLSA-N 417.556 1.488 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(N3CCCCC3)CCCCC2)CC1 604158724 GCLRZTDVJZLARD-UHFFFAOYSA-N 405.587 1.805 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 609040670 DJIPARQAFZMQNN-OXQOHEQNSA-N 421.567 1.160 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 670233380 YYKGGUBLLBQPIG-CJNGLKHVSA-N 422.559 1.514 30 10 HDEE NC(=O)C1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 731228455 YLBIMOGGKLHHHS-UHFFFAOYSA-N 420.535 1.446 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 731340060 MZTDOUGQECCQQK-QGZVFWFLSA-N 416.503 1.625 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1noc(Cc2ccccc2)n1 731700619 DAWUZTSCFRFCQY-UHFFFAOYSA-N 412.427 1.554 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(=O)n(Cc2ccccc2)c1 732419971 GCUGMDKCGVTHHV-VXPUYCOJSA-N 407.430 1.545 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCN1C1CC1 733350775 AGRGOEUOUXSVPK-HXUWFJFHSA-N 416.570 1.093 30 10 HDEE CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 740505355 AYLZNVZVWVRGCZ-CHOFAJOMSA-N 408.524 1.846 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2scnc2C)c1=O 743726251 KMHOGHQDDSJQCG-UHFFFAOYSA-N 403.529 1.584 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 749933741 HNFOWOJNGJSYAO-KRWDZBQOSA-N 402.432 1.840 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 751734897 YSSPUCZBXLGNIJ-CQSZACIVSA-N 421.500 1.331 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 751939876 UYNBWBPDQPSZLY-UHFFFAOYSA-N 408.553 1.587 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C1CC1 753991565 ZWACWTOUQRGVQB-INIZCTEOSA-N 406.446 1.025 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 756655518 QJCCJZNTRPBKSN-NSHDSACASA-N 421.313 1.041 30 10 HDEE N#C[C@H](C(=O)CN1CC[C@@H](C(N)=O)c2ccccc21)c1nc(O)c2ccccc2n1 759469730 CBFSAIHUSYQSCC-GDBMZVCRSA-N 401.426 1.991 30 10 HDEE CCn1c(S)nc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2c1=O 761044124 YAUGKNONSDIJAU-UHFFFAOYSA-N 420.498 1.934 30 10 HDEE COc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCCOc1ccccc1Cl 765593680 OKXZAUPFDGVGJI-UHFFFAOYSA-N 416.821 1.742 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 769728091 JMAXDBUOENGUFN-UHFFFAOYSA-N 416.547 1.434 30 10 HDEE Cc1cccn2c(=O)c(C(=O)[C@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cnc12 773768334 GANQVSZDTPUNOT-AWEZNQCLSA-N 404.382 1.735 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 774516239 HLZCAGYTRPNDBE-UHFFFAOYSA-N 421.567 1.126 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(C)n1 781659256 WNUDMJJSJHXUBC-UHFFFAOYSA-N 413.462 1.818 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1sccc1S(=O)(=O)NCc1ccco1 783616729 QQECEWOZFGXBQP-UHFFFAOYSA-N 418.518 1.150 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCN(CCOC)C(=O)C3)ccc2c1=O 787846962 BDRWXDRMPLYOMM-UHFFFAOYSA-N 416.503 1.192 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 790109266 SHZGTGMUBLSFJJ-MRXNPFEDSA-N 404.511 1.994 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)ccn1 795967007 RFJYMTGNHBEVHF-UHFFFAOYSA-N 407.365 1.741 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 803523101 LVIPBSWPCHRUIF-NRFANRHFSA-N 401.466 1.809 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 807109687 KNNGKOLZZFSLRK-JYJNAYRXSA-N 407.515 1.836 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F 809808983 DOQCYPGGHWOMDE-VIFPVBQESA-N 410.832 1.198 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 815075472 CEIPXUQGOLICER-UHFFFAOYSA-N 401.467 1.413 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCCNS(C)(=O)=O)C1=O 914541568 WRDXNFUMNSWWFC-CQSZACIVSA-N 412.537 1.002 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1116551930 VCNMVUWDPJUEKY-INIZCTEOSA-N 410.492 1.133 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)cc1 1129494162 QDJKZOAMRAYDPE-UHFFFAOYSA-N 400.416 1.339 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1130753647 QHEHBADGILFCPE-LHSJRXKWSA-N 421.461 1.637 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)[C@@]1(C#N)CCCOC1)C2 1133531353 HXEPZOVQDYVHEC-IALDWUNLSA-N 421.494 1.612 30 10 HDEE O=C1CCN(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1134405538 YNGUVDFDICQDHM-KNVOCYPGSA-N 423.260 1.558 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@H]2CCCS2(=O)=O)n1 1143259540 MYBIMOADVIRJFD-LLVKDONJSA-N 413.550 1.706 30 10 HDEE Cc1cc(C(=O)NCCc2nnc3n2CCN(C)C3=O)c(C)n1-c1ccc(C#N)cc1 1153939845 WVZCAARRYFDPEB-UHFFFAOYSA-N 417.473 1.615 30 10 HDEE CO[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1Br 1159490123 LNHBNUPBGUCPQO-AWEZNQCLSA-N 419.235 1.354 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccc([Si](C)(C)C)cc1)c1cc[nH]n1 1167146414 PFHABXILQQYUDW-UHFFFAOYSA-N 416.554 1.598 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C2 1176770871 ARLSMDAEEYUJQB-UHFFFAOYSA-N 405.430 1.593 30 10 HDEE Cc1c(Br)cccc1C[C@@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1C#N 1186450647 BJPGSGMQRMEPAM-LLVKDONJSA-N 407.268 1.279 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(C#N)c(Cl)s1 1186815348 VTUPOAYPAUJAFM-UHFFFAOYSA-N 401.857 1.991 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCCC3)c1=O 1189861745 LUQCYFFMLYEFPF-UHFFFAOYSA-N 423.469 1.985 30 10 HDEE C#CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1223654781 KWTOXQJZPMGWKW-WMZOPIPTSA-N 408.543 1.750 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1230908205 VSBPLFSQHYSCRC-CABCVRRESA-N 424.523 1.529 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(Cc3ccc(Cl)cc3)CCCOC2)C1=O 1278778479 VIVOCQPBBNLPGP-HXUWFJFHSA-N 419.865 1.525 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCCn1ccnc1C 1286432404 IYRDEXYLZOUVMP-UHFFFAOYSA-N 407.522 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1286448369 SSMRFHJDZVEROB-SFHVURJKSA-N 407.584 1.906 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286466650 LFUBKBDNJQBSSK-UGKGYDQZSA-N 411.506 1.688 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)CC1 1286479399 RKPMGRBUZDPQSN-UHFFFAOYSA-N 408.485 1.432 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1286487230 LSNQEZFAAMMUKH-QGZVFWFLSA-N 419.533 1.733 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1286619406 AHQDCNVBRBQHPQ-DZGCQCFKSA-N 417.963 1.894 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCn2nc(C)nc2C1 1286714582 SSTXOTREKKRVEL-UHFFFAOYSA-N 411.514 1.653 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2CCCC[C@@H]2C1 1286820526 MVCNLTYOMBQRQI-QZTJIDSGSA-N 423.583 1.795 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1286965171 HGXXWCJOEHNGAD-YOEHRIQHSA-N 405.466 1.454 30 10 HDEE COc1cc(C(C)=O)ccc1OCCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435615 BFHXONLHHBBHRX-OXJNMPFZSA-N 420.487 1.454 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300400203 VHKIMJVVELFYOG-UHFFFAOYSA-N 414.473 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1ccc(OC)cc1 1300429838 DHYJRWQRDYXVJC-HZPDHXFCSA-N 419.551 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1300579694 YKJMNBXERPHXIV-GOSISDBHSA-N 419.551 1.264 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300768598 UNIMBKTXUSYGLB-FQEVSTJZSA-N 413.551 1.223 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H]1CO 1300800859 ASWHCRCJYCTVCG-JBYIUTFZSA-N 414.554 1.458 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1300990572 WHRZGKDUDZGCCA-KRWDZBQOSA-N 422.555 1.533 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1301272358 GKUNAAGBVOBVTJ-DLBZAZTESA-N 412.604 1.879 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301497514 YECRCTSUINIKFG-HNNXBMFYSA-N 413.482 1.228 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301617834 JLSXLKSQEMGWMS-OXQOHEQNSA-N 421.567 1.704 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1301967765 GKMWOKCZJHWRBF-OWCLPIDISA-N 420.539 1.672 30 10 HDEE COC(=O)[C@H]1CN([C@H](C)C(=O)NC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1308107286 LQIGAPBRHZXIMS-HUUCEWRRSA-N 420.510 1.279 30 10 HDEE COC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(Cl)c1 1312819574 CMEJPYPKBCJCPT-HNNXBMFYSA-N 403.826 1.428 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)NCc3nc(C#N)cs3)CCO2)cc1 1313349941 CKEKGTWHBIQKHV-OAHLLOKOSA-N 406.489 1.701 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1314105715 FKBCQKPGRDPYOR-DYESRHJHSA-N 419.526 1.866 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1315817976 YBXMGTVNVWYEMT-QZTJIDSGSA-N 400.458 1.906 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(F)(F)F)ncn2)c1 1355983688 HZZRCUNLEBAHJF-UHFFFAOYSA-N 418.375 1.982 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358886569 GRSNSUQXDTYJOB-DYVFJYSZSA-N 404.478 1.829 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@]2(O)CCN(C)C2)c1 1358902470 PAAPZMRSNCKBBT-QHCPKHFHSA-N 422.533 1.668 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCN2CCCC2)c1 1358903328 SOVZRYADUJADPK-UHFFFAOYSA-N 410.522 1.967 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358947182 UTFFBJMGKSTSGR-GJZGRUSLSA-N 404.515 1.802 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1359000367 SVZPQUWBOHIYHE-INIZCTEOSA-N 418.567 1.657 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1359035042 JNWXHGZPCLKTSZ-FQEVSTJZSA-N 413.614 1.574 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCCCCC2=O)CC1 1359045431 GXTPJABJJFGLHR-UHFFFAOYSA-N 414.554 1.599 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(F)F)CC1 1359047807 UKMTZRPGXZRENP-OAHLLOKOSA-N 411.453 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1359098867 HESSFKVVOYFXNT-BZSNNMDCSA-N 403.527 1.726 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)(C)C)CC1 1359298412 YWNGKXADRULIOV-UHFFFAOYSA-N 401.515 1.765 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359299996 RBGRGGRPUWQBJP-MSOLQXFVSA-N 413.526 1.821 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccco2)C1 1359325120 YSHXTLXAIDUSGA-IIBYNOLFSA-N 415.494 1.683 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1359472115 FUNYMUOCHMBLDP-RCDICMHDSA-N 421.505 1.949 30 10 HDEE CC(F)(F)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360627719 NPFORCQXEQFGHM-CQSZACIVSA-N 417.420 1.809 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)Cn3ncn4nccc4c3=O)ccc21 1435914399 ROHQYUSPZFIADY-UHFFFAOYSA-N 405.418 1.113 30 10 HDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc1Br 1439793492 DKWAVYXRVBAWCQ-ISVAXAHUSA-N 405.295 1.530 30 10 HDEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1449854172 NGCXULSQKAUGDI-CQSZACIVSA-N 422.507 1.195 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1451177906 HKDQLPHWKKISHK-ROUUACIJSA-N 420.487 1.114 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nccnc2C1 1454118573 QIWHYPVDJJFVCV-INIZCTEOSA-N 413.503 1.515 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1456732953 VBJMCYWXWVSCAZ-SZPZYZBQSA-N 411.506 1.524 30 10 HDEE C=C(C)CONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1469743138 QKEVSUXMACWACV-UHFFFAOYSA-N 422.507 1.151 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)cc1 1472259405 ZAJQTFHWTADYNX-OAHLLOKOSA-N 416.459 1.080 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)CC1 1473346966 AUVAGPNMJVNZHL-OAHLLOKOSA-N 419.425 1.005 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1479068940 LOLLYUHNDAVJGS-VQTJNVASSA-N 422.489 1.412 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)C1=O 1479070704 FICPSOJCKGVMLF-UHFFFAOYSA-N 410.478 1.253 30 10 HDEE C#CCN(C(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1479168210 VYAZJDFBCOFNRK-MWQQHZPXSA-N 423.332 1.919 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CC(=O)N1CCOCC1 1504873491 GOJHWIFZRWMANW-UHFFFAOYSA-N 424.505 1.539 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1507523808 PUUFJVMJGROEON-PDSXEYIOSA-N 400.479 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1507532660 MLNVNFULGRIDQX-QAPCUYQASA-N 402.520 1.833 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507565843 GXSGGWGDBSGKBI-GOSISDBHSA-N 416.551 1.779 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cnnn1 1507671574 LLMLQIYBPBVOEG-UHFFFAOYSA-N 414.477 1.056 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)on2)CC1 1507719214 LQPITLUMFLQBBJ-HXUWFJFHSA-N 400.483 1.030 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1507734866 ANNPJHONIUPNLR-INIZCTEOSA-N 406.490 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccnc2)CC1 1507739399 PPJAKEJEPQHINE-IBGZPJMESA-N 408.506 1.386 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1507889181 MGXNQXNSLWEXCL-HNNXBMFYSA-N 415.523 1.778 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507961580 CJVNTRHAGRBLGY-GOSISDBHSA-N 424.509 1.738 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507979329 QQNVOULLBDPJSZ-QGZVFWFLSA-N 412.494 1.405 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1508122079 HRMVDOLLJHRSRO-HSALFYBXSA-N 418.586 1.589 30 10 HDEE CCCCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1514461519 SAGJFGFMNUZERW-OAHLLOKOSA-N 421.523 1.946 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1519163437 AUNXQXSORCSKHN-OAHLLOKOSA-N 422.511 1.200 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1519431947 RJFNTGWLTBRIAQ-FJIDUMEYSA-N 405.499 1.282 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1521110534 PFLDTYXDNSSWTI-UHFFFAOYSA-N 422.470 1.810 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc2c(c1)OC(F)(F)O2 1525869211 DABUHIXZYRFFGJ-LBPRGKRZSA-N 401.373 1.950 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1527700754 PBHFRIYIXYQXPY-INIZCTEOSA-N 416.478 1.619 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@]2(C[C@H](C)CC(C)(C)C2)C1=O 1531581762 WQFBMXQFWMTGPW-IVZQSRNASA-N 419.522 1.927 30 10 HDEE CO[C@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCSC1 1535585923 MNBVVYGACCFLKY-BEFAXECRSA-N 402.476 1.402 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@H](c3ccc(C#N)cc3)C1)C2=O 1538556628 UWEUOQZCUZCOCW-QRFQSNJMSA-N 410.474 1.959 30 10 HDEE Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538765172 FAEOHHUXTQKGSD-TVQRCGJNSA-N 410.805 1.261 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539142364 OWKSWJASPIFHGH-IAGOWNOFSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)noc1C 1539232957 VVRMQCHFOWGLJB-UHFFFAOYSA-N 403.446 1.905 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nnc(C)s2)CC1 1539429983 FNTMYKWXTRXOGC-HNNXBMFYSA-N 419.555 1.160 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539441849 WYDRUAQJACEWBM-GOSISDBHSA-N 424.530 1.007 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)CC 1539567047 SQWJAWUCZCQJAW-HXUWFJFHSA-N 414.535 1.740 30 10 HDEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1539920515 GXCDHCNGOJBYGU-UHFFFAOYSA-N 404.559 1.424 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2[C@H]1C 1540902761 POWPLTADQZFDPM-RHSMWYFYSA-N 415.519 1.911 30 10 HDEE C[C@@H](C#N)CN(C)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1542216691 ABLABGGGLHDPJX-XOBRGWDASA-N 411.499 1.952 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnn1-c1ccccn1 1544571168 ALCJDSXPTFQRQK-HNNXBMFYSA-N 402.462 1.842 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1545096076 HAGFEAZCVDUPEQ-GQIGUUNPSA-N 416.505 1.620 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1545147777 CMTZWIAPFVAGDE-GKCIPKSASA-N 419.432 1.978 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1556585633 APLFEHHIADXUKV-PGRDOPGGSA-N 421.497 1.943 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCc3ccccc3NC2=O)cc1S(=O)(=O)NCC#N 1557296193 ZSYSWBBIUJSCEZ-QGZVFWFLSA-N 412.471 1.480 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1557364835 ZITMSZHJKLJKCB-MRXNPFEDSA-N 408.520 1.764 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CC1 1561866939 YPIDOLLWDJZCCW-UHFFFAOYSA-N 415.533 1.039 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(Cl)c1 1563326907 RVYRLHYAPKWPHT-UHFFFAOYSA-N 402.838 1.146 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(Cl)oc3ccccc23)CC1 1565073781 KVSDVLRCPZOAHI-UHFFFAOYSA-N 410.883 1.381 30 10 HDEE C#CCN(C(=O)NCc1cnc2n1CCOC2)C1CCN(C(=O)OC(C)(C)C)CC1 1565455459 ZPMHVXYZLRGSNY-UHFFFAOYSA-N 417.510 1.958 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1569207352 DZDREURVPBLFAF-MOPGFXCFSA-N 403.504 1.874 30 10 HDEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CC1 1584647687 RUTPRPJWUDVMQP-UHFFFAOYSA-N 422.503 1.210 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 1585593347 DINPMOMBCJYXHC-ZDUSSCGKSA-N 405.407 1.596 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN(C)CC(F)(F)F 1587904242 BZMWSUZPQMVEQY-UHFFFAOYSA-N 409.416 1.879 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1587989183 HQOHKNIOKYNGQQ-IBGZPJMESA-N 424.530 1.543 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1588058980 GYDZUMRKDRVBMY-GOSISDBHSA-N 415.519 1.474 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588065028 RRBISMBUGLBSRH-RIFZZMRRSA-N 406.552 1.408 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1588646040 GIRPELFVFOVQAC-SFHVURJKSA-N 413.478 1.401 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1588659856 PBGINWFQUZCJJK-DENIHFKCSA-N 411.506 1.688 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1593636437 LYRVUMSDZFMRBX-AWEZNQCLSA-N 419.498 1.669 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1594567684 PZHYHXUXYFDXSV-IBGZPJMESA-N 409.556 1.788 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCO2 1595267794 ZVRIYBQGKLUIQO-UHFFFAOYSA-N 413.478 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC(C)(C)C2)C1 1595722964 PJPVNMRIZCJCHV-MSOLQXFVSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]2CC[C@@H]21 1595754103 LEUPBUWLNPUKSL-CVEARBPZSA-N 407.540 1.494 30 10 HDEE CSCC[C@H](C(=O)NCc1nc(C#N)cs1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1611469882 LTKNRXAFPISWFO-HZSPNIEDSA-N 406.533 1.928 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C)[C@H]1CCSC1 1617779625 BZSJVXJDCPWYNY-HNNXBMFYSA-N 410.507 1.847 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1620102628 PJYLIJCOJRWYFJ-ZCLUNYJNSA-N 418.542 1.199 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)=NO2)C1 1624810227 WZMAPSIEGVVOMO-UHFFFAOYSA-N 412.446 1.914 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1625177882 XFNMYQQOXSBMPI-SJORKVTESA-N 403.454 1.255 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1625569294 ROWOSMDVDJGNDF-HNNXBMFYSA-N 403.460 1.742 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1625870997 DVTBJFUOXWOCII-UHFFFAOYSA-N 407.398 1.634 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC(Cc2c(F)cccc2F)C1)c1cc[nH]n1 1630293209 JELVRUHDVKKYFT-UHFFFAOYSA-N 406.389 1.673 30 10 HDEE Cc1ccc(C(=O)N[C@](C)(CO)Cc2ccccc2F)cc1S(=O)(=O)NCC#N 1630964061 RTCSMZXOCJPEGW-FQEVSTJZSA-N 419.478 1.660 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1635079538 UTFJDRYEDCBHJQ-JYJNAYRXSA-N 415.556 1.517 30 10 HDEE N#Cc1ccc(Nc2cccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)c2)cc1 1635846537 ZLONKLZPTDJIOB-QFIPXVFZSA-N 406.442 1.659 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](CO)c1ccc(Cl)cc1 1636176868 DWIIGFWGGUBKLY-QGZVFWFLSA-N 407.879 1.682 30 10 HDEE CN(CCN(C)C(=O)CC1(C#N)CCOCC1)CCN1C(=O)c2ccccc2C1=O 1638122036 DGRBLWQPFJJAQO-UHFFFAOYSA-N 412.490 1.383 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)nn1 1638491757 NTOFIVWIKNFYHL-ZDUSSCGKSA-N 404.268 1.896 30 10 HDEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C1CCN(C)CC1 1639164852 AVXCBGOXYISETF-UHFFFAOYSA-N 423.517 1.954 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)c1 1639190509 ZKQLYKRANFNWJV-UHFFFAOYSA-N 402.476 1.620 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 1643375185 JMDVUIXBMWTSCN-ZDUSSCGKSA-N 407.492 1.208 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1648035731 PWJDYZOHDONMMR-INIZCTEOSA-N 410.927 1.345 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1651889643 ASCUYBPAGWKFAB-CQSZACIVSA-N 420.514 1.572 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cc(F)ccc1N(C)C 1653978912 HHOJUJGAQJLCQA-ZDUSSCGKSA-N 404.467 1.919 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 1662708684 TZKLUGFXFAARAH-ORAYPTAESA-N 405.476 1.174 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1664764180 FHBSHJZMNKQRJP-MRXNPFEDSA-N 414.549 1.568 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1665899494 BKHSPALJLGOKLE-HNNXBMFYSA-N 416.544 1.567 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC(C)(c2nnc(-c3cccc(F)c3)o2)C1 1670882280 JGJSLQJATHTSKL-UHFFFAOYSA-N 408.455 1.759 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1674887862 LCWCGTOQXAXJDJ-SFHVURJKSA-N 419.522 1.968 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 1679365448 HWBNZTLJGDVVGK-INIZCTEOSA-N 400.522 1.159 30 10 HDEE C[C@@](CO)(Cc1ccc(Br)cc1)NC(=O)NCCn1cnc(C#N)n1 1680972954 JUWDJNZPNYURFF-INIZCTEOSA-N 407.272 1.205 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](c3cccc(F)c3)c3ccccn3)C2)c(=O)nc1O 1681182604 MWCAOVXVCCIUSX-GOSISDBHSA-N 420.404 1.711 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1684862748 CXXPUEYEZVZIEL-KRWDZBQOSA-N 419.503 1.177 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H]1COCCO1 1690022680 OKZQTGDEWNFHQJ-LJQANCHMSA-N 404.474 1.395 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCSC1 1690106246 OSTGKVTXYBFPDS-LJQANCHMSA-N 404.540 1.094 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)CCOC)CC1 1690130684 LTWKSCSCTHCWST-QHCPKHFHSA-N 411.550 1.606 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1696021659 CHCXKGHGRXFHTG-KXBFYZLASA-N 406.487 1.368 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCOCCCO)c1 1698484817 OOKUXANTVATKJO-IAGOWNOFSA-N 413.434 1.330 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705494308 YCARCMLUPHJNRL-HZMVEIRTSA-N 402.543 1.575 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(C)=O)c1)[C@@H]1CCS(=O)(=O)C1 1705559971 CNPARPYNRODLHT-GOSISDBHSA-N 401.492 1.220 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705658704 XTGIZCAQGJNWIG-AWEZNQCLSA-N 403.512 1.322 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705904623 UADXYZFLCVSBQB-KRWDZBQOSA-N 400.531 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(c2nccs2)CC1 1705935399 QDIHXTBCAMIVNZ-UHFFFAOYSA-N 410.569 1.615 30 10 HDEE CN1CC[C@@](O)(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1 1711276194 SDBVTNXUFUMNIM-NRFANRHFSA-N 411.510 1.177 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncn(C)n1 1711681499 FSEZHRLKWNJMOL-ZDUSSCGKSA-N 414.857 1.513 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722276762 IWYJWLAIXBRHKA-ZHRRBRCNSA-N 411.506 1.796 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)noc1C 1722426789 BUVIGMGEJUTSQI-WMZOPIPTSA-N 403.483 1.741 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCN2CCOCC2)CC1 1722445189 TXTAMAWBMYGHGB-GOSISDBHSA-N 416.570 1.480 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(O)CC(OCC)C2)C1 1722711758 IFZXTGKATDSVEB-ZGGTZUKQSA-N 401.511 1.995 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)[C@H](C)CC)C1 1722722308 ZQRUWRRNYPSTHL-LZJOCLMNSA-N 405.543 1.979 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1730482311 AIOLSXLAXZJJIH-KRWDZBQOSA-N 400.458 1.906 30 10 HDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1730484837 QGSHIXXGBJPHRJ-QGZVFWFLSA-N 422.468 1.918 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1740595544 UPOADABNESUWQW-UHFFFAOYSA-N 419.537 1.978 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1740623690 ZIYLETDSHWUMPW-NSHDSACASA-N 423.283 1.770 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1740625568 GSTUTHQCGIDSMY-BDXSIMOUSA-N 424.542 1.937 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740628232 WKKFQLGVUMNXSI-KRWDZBQOSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1740641379 ILIBUABAANSRAG-GCJKJVERSA-N 411.506 1.202 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@H]2CO)CC1 1740694086 YBIDODSVTPERJU-QFIPXVFZSA-N 422.577 1.937 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1740762090 QUGRFSIZZSRBAN-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=C(Cl)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1740817337 YYOAMXRYHSBCRF-LPHOPBHVSA-N 411.934 1.592 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1740897191 XQYNFYQVARVBBK-UHFFFAOYSA-N 401.496 1.279 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)F 1741676082 WVOVALIFRYHGIP-CQSZACIVSA-N 411.457 1.222 30 10 HDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1741851204 IAWVKRAPSPOMJF-OWCLPIDISA-N 420.514 1.766 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1748647345 NAPRJIZPBAATAO-KXBFYZLASA-N 410.540 1.213 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1748730531 NFSMGHXMOSMQEV-SFHVURJKSA-N 400.527 1.229 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1748847759 WQPAEDCZIMQIHC-QGZVFWFLSA-N 413.503 1.095 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)C1CC1 1748882436 RUTVIEAHBRKITM-UHFFFAOYSA-N 406.446 1.842 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC(C)C)nc1 1748958604 CHCOFZHPYUSABJ-UHFFFAOYSA-N 409.494 1.995 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749023797 WTXMSRCLJYKLJH-HZPDHXFCSA-N 407.540 1.180 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncc(Cl)n1C 1749730058 YJMSMBYAPNUOSH-UHFFFAOYSA-N 423.930 1.897 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1750071271 YKICDBSWHQVCQV-WDEREUQCSA-N 406.384 1.742 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760113404 UMYQLCQEGPBYAJ-ZBFHGGJFSA-N 403.508 1.196 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760142586 GXWMOUXQYBLJOD-NRFANRHFSA-N 401.511 1.545 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1760155155 RIUGBGZBNTVEFS-INIZCTEOSA-N 410.540 1.225 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760172120 MWDSBXSZBZCGPM-RTWAWAEBSA-N 409.534 1.856 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1ccnn1 1760205870 LSONABHGZLXPQK-LJQANCHMSA-N 403.446 1.545 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1 1760210105 NDAHERLVJTYZPB-UHFFFAOYSA-N 416.478 1.646 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1760235674 TXIVFMHALJEHLR-UHFFFAOYSA-N 403.433 1.465 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1760516135 VRZNGBGVHLUCGE-CQSZACIVSA-N 402.886 1.602 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1760551047 RRDFEGOCUBEFDM-UHFFFAOYSA-N 417.535 1.716 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1762058695 RPTVWLSZTUCOAC-BPQIPLTHSA-N 415.542 1.611 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOC[C@@H]1C 1764187158 FQJQKGMJIYJVHG-ZMSDIMECSA-N 404.515 1.598 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C)o2)nnc1N1CCC(CC#N)CC1 1766722625 GRXNZGBHVZLPDQ-UHFFFAOYSA-N 406.512 1.916 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1770160439 VSCRYIVZNLIVCP-UHFFFAOYSA-N 424.505 1.586 30 10 HDEE Cn1cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1772788026 UUZKNTIULQZAHF-HNNXBMFYSA-N 414.418 1.610 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789585 INLCNFHKXHXTBF-UHFFFAOYSA-N 418.427 1.508 30 10 HDEE O=C(N[C@@H](Cc1cnc[nH]1)C(=O)ON1C(=O)c2ccccc2C1=O)C1CCCCC1 1772791302 RDUUHYRVQKTDDD-KRWDZBQOSA-N 410.430 1.772 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCN(C)C1=O 1849512646 HDOYHWIWWYXKRX-SJORKVTESA-N 409.483 1.224 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)CC2)c(Cl)c1 1851282734 XRJGUMCEQCCHSQ-UHFFFAOYSA-N 408.911 1.284 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cc(C(F)(F)F)nn3C)c(C#N)cc2C#N)CC1 1853401337 OKXODHDRKJMBKP-UHFFFAOYSA-N 418.383 1.581 30 10 HDEE CN(C)c1cccc(C(=O)N2CCC(CN(Cc3cnnn3C)C(=O)CC#N)CC2)c1 1853541395 QZPXYIOJHFWWJJ-UHFFFAOYSA-N 423.521 1.676 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)COc3ccc(F)cc3)CO2)cc1 1853849905 ZQRQMVQIFNPLJX-MRXNPFEDSA-N 406.391 1.624 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@H]3OCCc4ccccc43)C(=O)C2)cc1 1853888933 PHZSVHZBLSVFPJ-QFIPXVFZSA-N 403.438 1.726 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CN2CCCS2(=O)=O)C(=O)C12CCCCC2 1854494505 KGDCWVSGMLFEFK-MRXNPFEDSA-N 410.540 1.088 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCCC)cc2)C(=O)C1 1854621724 GKRGUUPYQUZTJB-UHFFFAOYSA-N 407.536 1.968 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3cccnc3Cl)C(=O)C2)C1 1854936117 XZKLDNLLMGUMIZ-NVXWUHKLSA-N 403.914 1.715 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)CC2=O)cc1 1855537414 HRKFRRKHPIZXEQ-DLBZAZTESA-N 412.490 1.659 30 10 HDEE Cn1nnc(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c1C(F)F 1855571218 SVEUNUMMKXXBOO-STQMWFEESA-N 406.437 1.900 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C1 1856412645 UVWBCTNWWSFVPR-MRXNPFEDSA-N 418.519 1.448 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4ccncc4)CC3)CC2=O)CC1=O 1856820769 VHCZPHIZBAATOT-VQTJNVASSA-N 410.518 1.703 30 10 HDEE COc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857057010 RPFIXFFURONSNL-KRWDZBQOSA-N 419.503 1.558 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1857263266 DYYRIDODUAKBOD-AEFFLSMTSA-N 403.910 1.976 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cnc3ccccc3n2)C1)[C@H]1CCN(C)C1=O 1857276516 CJHMWBNFAKSATH-BEFAXECRSA-N 407.474 1.337 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1860722338 ZYRDHEOWCDBNOR-NYYWCZLTSA-N 417.399 1.641 30 10 HDEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340081 IKEVICLTWMLMQJ-GFCCVEGCSA-N 407.386 1.857 30 10 HDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCCC[C@@H]2CCO)CC1 1868782122 DHVUVKMMJPEQTJ-QZTJIDSGSA-N 418.563 1.904 30 10 HDEE CCCCCCCCC(=O)Nc1nc(N2CC(O)C2)nn1[C@H]1CCS(=O)(=O)C1 1870003350 IYBDHMDNSUDNCW-AWEZNQCLSA-N 413.544 1.508 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(N(C)C)CC2)nn1C 1870041029 SEWKQLBLHFYWKF-UHFFFAOYSA-N 414.510 1.928 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871535147 NHYBBCYZEDPXPB-UHFFFAOYSA-N 424.553 1.959 30 10 HDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCC(CO)CC3)ncnc21 1873593217 JOPPWHLLMDFSTA-UHFFFAOYSA-N 401.511 1.718 30 10 HDEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCN(C)CC3)ncnc21 1873596432 WOEWYUXKDXCXNS-UHFFFAOYSA-N 400.527 1.652 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874341142 CCNGMAKXPKZZCC-FVOVHSBVSA-N 418.479 1.877 30 10 HDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231144 BRGDGBFZYMDMBF-UHFFFAOYSA-N 408.510 1.704 30 10 HDEE C=C(I)CN1CCC(NC(=O)OC(C)(C)C)(C(N)=O)CC1 1895115102 ZJDHBYCWIXVXGK-UHFFFAOYSA-N 409.268 1.780 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1902547150 VGAGRBGWAMPXLA-AWEZNQCLSA-N 409.336 1.890 30 10 HDEE CC(C)(S)[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2019058793 MQZFYYNMZOWATL-ZDUSSCGKSA-N 414.505 1.144 30 10 HDEE CC1(C)OB(c2csc(CN3CCO[C@@H](CS(C)(=O)=O)C3)c2)OC1(C)C 2235420367 GKYWFXPWPLAPCM-CQSZACIVSA-N 401.359 1.293 30 10 HDEE C=CCC1(C(=O)N2C[C@H](S(N)(=O)=O)CC2(C)C)CN(C(=O)OC(C)(C)C)C1 2239529254 LFLRQZJMLGPNQL-CYBMUJFWSA-N 401.529 1.468 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675763 AEICOLBRCRRHCK-OAHLLOKOSA-N 407.320 1.336 30 10 HDEE Cn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2247845504 RMNFQRWJQWRRLT-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE C[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247856002 BLMMNKLVUWCEOS-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE CC[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247856409 JDEQMUNLDPLIDB-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2247930434 SJLFNOYBOOWKRV-UHFFFAOYSA-N 410.283 1.322 30 10 HDEE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267705081 VGCFRRPTWANPAO-NXEZZACHSA-N 407.750 1.845 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282301944 SWEDWLHUMKMRJL-CYBMUJFWSA-N 401.359 1.819 30 10 HDEE CNC(=O)[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282310986 BMTNXINCGNSAOA-LLVKDONJSA-N 402.347 1.111 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCN)CC(F)F 2282314210 WCPLFVPKADBOJR-UHFFFAOYSA-N 410.317 1.570 30 10 HDEE Cc1nsc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)n1 2282314977 HWANAVXDHSNNLW-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CCN1CC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282331995 USOQMADOQKUJQD-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC1(C)[C@@H](O)CC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334904 HYOFBXJTDLTUIF-STQMWFEESA-N 401.359 1.875 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N1C 2282501590 ZCKIZUOPMJQUFO-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE Cn1nc(C(=O)NCCCC[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282551146 HNSVVXVTOGZPFP-AREMUKBSSA-N 403.741 1.261 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841775 YBBFEFSOHXGQNV-STQMWFEESA-N 400.375 1.761 30 10 HDEE CCN1CC[C@@H]1CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282844228 ZZLMSYLBORORFA-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE C[C@@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846203 GESPZRLZGMDWAQ-FZMZJTMJSA-N 400.737 1.668 30 10 HDEE C[C@H]1CN(C)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848510 OFJLAEFMABADCK-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1N 2282853850 KCZBTWCCYWIMPH-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3COCCO3)c2)OC1(C)C 2282857203 DZIULDDOHYBLNK-ZDUSSCGKSA-N 403.331 1.131 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284398987 DXRYZTSGHPOEEF-LLVKDONJSA-N 401.315 1.663 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCCCCC(=O)O)c2)OC1(C)C 2284405361 JTGRKUGRRDRZDU-UHFFFAOYSA-N 403.331 1.971 30 10 HDEE CN(CCC(=O)O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284418433 YJZWJZDVROQTLV-UHFFFAOYSA-N 403.693 1.734 30 10 HDEE C[C@H](NS(=O)(=O)CC1(C)COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2287112274 GHQZQZDCGJANAN-NSHDSACASA-N 402.347 1.459 30 10 HDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 2296554289 HZJACASCSXONKA-HXUWFJFHSA-N 423.469 1.844 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)Nc1ncc(Cl)cc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c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2381815466 BGXFDAZNXLIWSP-STQMWFEESA-N 401.363 1.234 30 10 HDEE Cc1ccc(=O)n(CC(=O)Nc2ccc(C(=O)Nc3[nH]nc(CC#N)c3C#N)cc2)c1 71537909 CXWRLZJIYNPKBP-UHFFFAOYSA-N 415.413 1.709 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105284798 UMSDILVNDHRXTO-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE N=C1O[C@@H](c2ccc(Cl)cc2Cl)C(=N/NC(N)=S)/C1=N/NC(N)=S 140478908 FZYQYILGHUVFCT-WKJPTVABSA-N 404.308 1.420 30 10 HDEE C=C(C)Cn1c(SCC(=O)Nc2cn(C)c(=O)n(C)c2=O)nnc1-c1ccco1 429530306 SBHBAKBTEMSGCU-UHFFFAOYSA-N 416.463 1.242 30 10 HDEE CCCc1c(NC(=O)C(=O)N(C)Cc2noc(C)n2)cnn1-c1cccc(C#N)c1 443706544 PUELKVZCOLCOLL-UHFFFAOYSA-N 407.434 1.985 30 10 HDEE C[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1S(C)(=O)=O 446634527 DKATYUUOKNHXBT-OOHWJJMZSA-N 421.523 1.319 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cn1 462081799 FAGGSTDWNFRTDM-UHFFFAOYSA-N 417.429 1.834 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)ccc1C#N 462480481 MJLUHKQIHUZGMK-UHFFFAOYSA-N 406.450 1.275 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472248322 BXDPRURJMMHVEL-CZUORRHYSA-N 404.540 1.196 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)ccn1 474197391 KQIPOUDZHMHQBY-UHFFFAOYSA-N 414.472 1.105 30 10 HDEE N#Cc1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)ccn1 474433607 OOXLJXINKIUCPK-UHFFFAOYSA-N 400.460 1.045 30 10 HDEE Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 479068446 XJSIINDZKZBSPJ-HXUWFJFHSA-N 418.501 1.894 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)cc1 480747126 HARSGBGLGGJNIM-MRXNPFEDSA-N 402.476 1.948 30 10 HDEE CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 486593337 KLAKHCFDTLDRRS-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE CCN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cnc(C)c(C#N)c1 489015189 AXMPSJNKPNYGHK-UHFFFAOYSA-N 416.459 1.682 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 507714151 AFKBSXLUFVHVBS-GOSISDBHSA-N 403.571 1.736 30 10 HDEE Cc1noc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 512014303 DJQQHIRQFCLPFK-UHFFFAOYSA-N 403.464 1.009 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 518571794 JRJDAFDOOBSSLC-LPHOPBHVSA-N 415.490 1.968 30 10 HDEE N#CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 534601356 PNNPYRSJVABXEC-UHFFFAOYSA-N 414.443 1.808 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)c1 538497423 TZCNYMZJMJOGDK-UHFFFAOYSA-N 421.478 1.553 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@H]2CCO)CC1 540548313 DWOZETXFCAIAIQ-MOPGFXCFSA-N 406.527 1.334 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC(C)C 541288839 OFROCUAJDYDORT-UHFFFAOYSA-N 413.528 1.062 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@H](C)O1 546216267 BEIZHHLPCPWMSX-IRXDYDNUSA-N 400.527 1.673 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 549261595 RXOWCDFIKSPLSD-MDZRGWNJSA-N 410.540 1.531 30 10 HDEE COc1cc(F)ccc1N1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 554739791 YWRLWGZLKDSFPQ-UHFFFAOYSA-N 404.467 1.697 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 555255491 GRGCMSWUXGGEOY-MRXNPFEDSA-N 404.515 1.068 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 555288483 RHUDBSABWMMPSS-QGZVFWFLSA-N 415.494 1.880 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 565626650 PZFYPXJZILFSQI-QGZVFWFLSA-N 421.498 1.499 30 10 HDEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 574932291 DIYAJLHGMORWAS-UHFFFAOYSA-N 402.545 1.187 30 10 HDEE N#Cc1cccc(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)CS3(=O)=O)c1 581815299 DIIPIUABOLYNTG-UHFFFAOYSA-N 423.494 1.948 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)c(F)c1 586862826 CUELNFZZVSGKPM-UHFFFAOYSA-N 401.467 1.505 30 10 HDEE O=C(NCC#Cc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 597691047 ULUNIEYKEKVVLI-IPMKNSEASA-N 402.516 1.264 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 608981306 GSYRTVAOZTXXMG-UHFFFAOYSA-N 400.460 1.687 30 10 HDEE N#CC1(NC(=O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)CCCCC1 613785033 QTUKRIGRNKUGCZ-UHFFFAOYSA-N 402.520 1.406 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3CC)c2=O)cn1 677123755 NBXAFNNKJPIWJS-UHFFFAOYSA-N 422.514 1.204 30 10 HDEE CCCN[C@H](CC#CCOC)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 698994989 BZFGRTXDNJRLCN-SJORKVTESA-N 402.557 1.819 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1C1CC1 732649435 VMOMDJVWGLLQSM-FUHWJXTLSA-N 402.520 1.286 30 10 HDEE CC(C)(C)c1ccc([C@H](O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 734944287 ATQQIKFYMSYDKC-WQYLVOBCSA-N 400.479 1.843 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(/C=C\C(=O)OCC)cc2)CC1 735861793 SBGJAELMKHNJRA-YFHOEESVSA-N 400.479 1.715 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 742317022 UMXYDBCQGWCBPQ-UHFFFAOYSA-N 414.892 1.972 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 756026889 HHVXSYBWKWNKCH-RDJZCZTQSA-N 402.495 1.993 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)C1CCCC1 757149547 GRAUUEBZSHXJET-UHFFFAOYSA-N 419.551 1.121 30 10 HDEE Cc1nn(C)c(C)c1[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 757887625 DAISBFVVYVZPIM-RHIYTYFCSA-N 414.388 1.466 30 10 HDEE Cn1ccnc1[C@H](O)[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 764739223 ATGQJJHEYCBBBS-NVXWUHKLSA-N 406.450 1.850 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 769324717 DZFYMXSXOUMMNP-GUYCJALGSA-N 417.535 1.919 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 769933366 YFSXNQPPBVOJMH-UHFFFAOYSA-N 413.411 1.810 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NS(=O)(=O)c1cnn(CC2CC2)c1 781733416 TUQXQKYMNVMRHF-UHFFFAOYSA-N 404.496 1.458 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)cc1 781846267 TYYLMUYXWROQDA-UZLBHIALSA-N 422.503 1.075 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC[C@@H]2C)cn1 795185954 ZUQWDLJLYQBKJS-NUEKZKHPSA-N 406.556 1.701 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)CC1 796244458 BNLGPRYBSAMFOB-UHFFFAOYSA-N 410.503 1.363 30 10 HDEE Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 799253154 POEOSYITIBAMEZ-KRWDZBQOSA-N 412.881 1.971 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](O)c2cccs2)c(F)c1 804162805 SZUCMJWMIFLWJP-DOTOQJQBSA-N 417.462 1.726 30 10 HDEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccccn1 1084122564 KUPRFVSJAVTRSG-UHFFFAOYSA-N 415.483 1.951 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]([C@@H]4CCCO4)C3)CC2)cc1 1133387477 VMRZXKUVJZJKKB-ICSRJNTNSA-N 417.531 1.986 30 10 HDEE C=C(C)[C@@H](CC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OCC 1133401142 XSHGKTVKDIBNNR-JKSUJKDBSA-N 418.556 1.898 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1S(=O)(=O)NCC#N 1140977056 LUGXNIDQJHTVEM-QZTJIDSGSA-N 414.487 1.842 30 10 HDEE CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CO1 1142586255 MYHLMXVGXWASJN-ROUUACIJSA-N 409.527 1.588 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1144582558 KNZPNIFBWQSREZ-HZPDHXFCSA-N 410.430 1.507 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc3c(c(S(N)(=O)=O)c1)CCC3)C2 1158216036 PJSZCRRICWXRHF-UHFFFAOYSA-N 402.501 1.537 30 10 HDEE CC(=O)N1C[C@H]2CN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)C[C@H]2C1 1175991961 UIDYEMDKUMKFPM-CALCHBBNSA-N 422.445 1.922 30 10 HDEE C[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1c1ccncc1 1227631439 GPBFKDJGMMRGEO-LAUBAEHRSA-N 418.501 1.974 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1286358693 ZZKCIIIMFBXVLP-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1286431947 UHDRPAUPYRNMJH-MRXNPFEDSA-N 401.492 1.296 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCCC2)CC1 1286472104 DQUOJVBWHVRUNE-JOCHJYFZSA-N 416.570 1.171 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN(C)Cc2ccc(F)cc2)CC1 1286486847 BZLJBHLPOVHZOA-UHFFFAOYSA-N 412.513 1.823 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286561622 FONMQEXGQIDGQB-NXOAAHMSSA-N 410.540 1.734 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1286606524 SCCNDEUFNNWPIF-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1286701527 XNKLIHWVJCTOBE-GOSISDBHSA-N 412.542 1.641 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1286727133 NNFINABSHTWCSN-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCS(=O)(=O)CC2)C1 1286809945 WWRYCZRGDUHFIS-MRXNPFEDSA-N 418.523 1.341 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291303275 PRIGFIXEMDNKOS-STGLLQLASA-N 409.450 1.092 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)O1 1292300638 POZQHBKBFGTQTM-ZSZQSSIHSA-N 424.571 1.976 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CC1 1294721847 IIBRDKNUKLTDMN-HXUWFJFHSA-N 402.426 1.322 30 10 HDEE COC[C@@](C)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1294989167 MOWSEABHHBJJMN-IBJAEKGXSA-N 409.483 1.468 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CCN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1295110120 BJXKXTKRPGPRKG-UHFFFAOYSA-N 411.459 1.019 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H](C)C#N 1297695317 DGBBEQCOQVJTDS-AWEZNQCLSA-N 421.523 1.993 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1300018689 LFAFLTNJIOGWHD-KRWDZBQOSA-N 414.487 1.986 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300364137 IBIHNDXQLVEJQN-GOSISDBHSA-N 408.506 1.943 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300482656 GWSVVSKVBKCTAR-GGXPGOJBSA-N 408.524 1.138 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1300538263 OXYRTGOCFKQPRO-GOSISDBHSA-N 423.542 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCOC2)CC1 1300725874 FNHAJDIETLPNOL-SFHVURJKSA-N 422.533 1.656 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1300731505 QKXAXKPSQNXULJ-WMZOPIPTSA-N 403.527 1.453 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300885677 RTZQNPSFQNELTL-YRPNKDGESA-N 419.570 1.920 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1300989844 RKGOJSNJUSQKGO-UXHICEINSA-N 419.570 1.923 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1301236565 HOIDLZXVNYXJGT-UHFFFAOYSA-N 418.542 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](CC)C1 1301578482 BYGAIKJUCGEQCJ-GOEBONIOSA-N 408.528 1.283 30 10 HDEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1301673185 BNPGGXMKXZGGRT-WMLDXEAASA-N 422.555 1.035 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 1303011198 DYYSIQZRFXXIQA-IRXDYDNUSA-N 407.540 1.879 30 10 HDEE Cc1ccc(Cc2nc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1305590003 MOYVNRKUMODYNW-UHFFFAOYSA-N 407.455 1.873 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NCc1cccc(C#N)c1 1308151174 ZVGCVWLHKXJGAG-GOSISDBHSA-N 402.495 1.742 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CCO1 1309661196 AHWRWCNAZVKXFD-CYBMUJFWSA-N 405.307 1.585 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1)C1CCOCC1 1309700532 ACQYPUOXMYSUAW-AWEZNQCLSA-N 402.419 1.903 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1)OC 1315804953 JPSDOVDIDVPRNV-CQSZACIVSA-N 416.482 1.797 30 10 HDEE COC(=O)CC(C)(C)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1322882655 FSXLYNHOIAHGHC-HNNXBMFYSA-N 400.435 1.563 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1350773775 GXUBGGBHRINBIT-SFAXUQRRSA-N 406.508 1.909 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1358905267 WDVXSFCLWPINTI-ULQDDVLXSA-N 409.556 1.697 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358936985 DXRKWZSTQHOYHY-MRXNPFEDSA-N 412.469 1.067 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1358948682 IDQFZGFBPJYBBQ-LJQANCHMSA-N 416.547 1.899 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358961096 RMZKVXCMYYFVAY-HNNXBMFYSA-N 403.508 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccnc1OCCOC 1358975092 BTZNFSYXKINAGP-UHFFFAOYSA-N 402.458 1.881 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CC1 1358987446 GNOBRPJDBZCPDY-UHFFFAOYSA-N 410.474 1.959 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@]1(O)CCc2ccccc21 1359022880 PPDQWUIDEVERRX-JOCHJYFZSA-N 404.474 1.655 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1359052503 HNKBUXNVQJEYNE-CQSZACIVSA-N 415.519 1.640 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1359098868 HESSFKVVOYFXNT-KSZLIROESA-N 403.527 1.726 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1359125955 AKGWMCQSWSEVLR-KRWDZBQOSA-N 418.542 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@H](C)C1 1359295560 GOAUDNZDKKXBOO-INIZCTEOSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)[C@H]1CC 1359303767 ADWFEAMMANUWMP-QGZVFWFLSA-N 412.494 1.183 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)C(C)(C)C1 1359303958 GNJKYUAGYGRCMO-INIZCTEOSA-N 401.515 1.303 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC(O)CC2)C1 1359311966 LMVBYNJKTNQSLT-GOSISDBHSA-N 420.558 1.044 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)COCCO1 1360835576 TWNXKXRXEVJFJR-DYESRHJHSA-N 410.478 1.324 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(-n4ccnc4O)c3)C2=O)cc1 1448844225 LBBPZPHCQLCCPB-IBGZPJMESA-N 401.426 1.980 30 10 HDEE C=CCCC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1455831624 AKAALVNDADYCFZ-HIFRSBDPSA-N 407.492 1.518 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2cncc(C#N)c2)c1 1456015835 BGGMBJCALOXDLJ-UHFFFAOYSA-N 402.476 1.922 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)o1 1457201755 QJCPPGRKUBWRHE-ALCCZGGFSA-N 412.402 1.466 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1457830318 FFFFYHMKHSNKDG-INIZCTEOSA-N 408.886 1.567 30 10 HDEE COC[C@](C)(CC(=O)OC)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1465491092 HRGVIIMXSMBEEN-NRFANRHFSA-N 405.300 1.992 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1465754088 RLMMFBXERAEAFE-WZHMAMEKSA-N 419.526 1.693 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1468144274 HLNYRBSYNUCHPG-YSHGAJCASA-N 408.520 1.394 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1471356238 GPTHZCWPZMXBPY-IBGZPJMESA-N 411.483 1.713 30 10 HDEE C=CCn1c(Sc2[nH]c(=O)n(C)c(=O)c2C#N)nc2cc(Cl)ccc2c1=O 1472638145 BMMPYPIWRBFBRA-UHFFFAOYSA-N 401.835 1.646 30 10 HDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 1492623549 HCSNLJQNWUZTPU-INIZCTEOSA-N 404.478 1.689 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1501194172 CTKDEKGHDQIGQT-INIZCTEOSA-N 405.462 1.748 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1503850297 CAZNQYVQNFMSPC-AWEZNQCLSA-N 412.450 1.303 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nncn1C 1504944897 VZBXLPAPXYZFCP-OAHLLOKOSA-N 410.482 1.687 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1507516720 MHPMQXSYEXCDOW-GVDBMIGSSA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccnc1N1CCOCC1 1507620874 WLXLJXGMLYPHKX-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(CCN(C)C)CC1 1507623553 YVVALHCYMONARD-PMACEKPBSA-N 418.586 1.345 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1507631149 BOYDXILPCIPYRF-IRXDYDNUSA-N 418.519 1.749 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N(CC)CC)CC1 1507721104 YIGJTFUYGCPKRV-SIKLNZKXSA-N 418.586 1.416 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1508094672 IKRKJLBNFPGZLB-HNNXBMFYSA-N 418.542 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H]1CC 1508140603 OVPKKWZJJSKZJU-CQSZACIVSA-N 421.523 1.985 30 10 HDEE CC(C)c1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1508962264 UOLXENFNHWHBPN-UHFFFAOYSA-N 406.512 1.775 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)CCO1 1521137269 NLRJJKZXBHMALS-LBPRGKRZSA-N 414.413 1.338 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC(F)F)CCN1C1CC1 1521138131 ZEIWQNKCBIMKMP-KRWDZBQOSA-N 417.464 1.722 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1526049940 QMCUGNXHSPMKHG-UHFFFAOYSA-N 403.508 1.490 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1526199847 BIHMAGFYDLCISK-GOEBONIOSA-N 419.503 1.682 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CCN1C1CC1 1535121603 GIDGWSDTRMSQLA-OAHLLOKOSA-N 401.268 1.842 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1538919438 QGOYBWTWRIPJFC-ZIAGYGMSSA-N 419.425 1.642 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1538996470 WUKDASNVGHLXDE-DSGGYQJVSA-N 420.473 1.938 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1539122225 RMHQRKYGFTYFLP-KRWDZBQOSA-N 408.543 1.659 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)cc2C)CC1 1539445000 ZIASNUFKPHVYRU-UHFFFAOYSA-N 418.549 1.857 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539701518 JUHJDOOYCRPTQP-YWZLYKJASA-N 402.499 1.910 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539722434 NMKDWABQQYJHPN-HXUWFJFHSA-N 418.498 1.138 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539759297 QMPHPWJKFUWEES-GOSISDBHSA-N 420.558 1.150 30 10 HDEE Cc1nnnn1-c1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1540934215 KCEZAQVQDXWXBL-UHFFFAOYSA-N 400.395 1.659 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)Oc1ccc(Cl)cc1)c1cc[nH]n1 1544603978 IGVXIKAMUTWFIK-GFCCVEGCSA-N 408.842 1.931 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1545886015 PCTQDQHOFOCXHM-ROUUACIJSA-N 405.458 1.296 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC 1545887277 ZZVZVOCANVYWIM-UHFFFAOYSA-N 413.482 1.378 30 10 HDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@H](C)COC 1562252090 SNSJJZKHLUEEJH-MRXNPFEDSA-N 410.540 1.678 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCC(=O)N(C)Cc1ccccc1Br 1564018568 AXMAIUWCGSJQCB-HNNXBMFYSA-N 408.296 1.841 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1567943387 YAJRMIQQTNKTDV-UHFFFAOYSA-N 412.830 1.468 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)cc1F 1567952183 VAYIDDKUCZIPME-MRXNPFEDSA-N 404.348 1.266 30 10 HDEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1568900772 GNOAFNDOTGPUEV-ZCXUNETKSA-N 407.448 1.095 30 10 HDEE C=CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1580007816 KSJIAJUABLJGMS-ZXXIGWHRSA-N 403.523 1.093 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)Nc3nc(CC(N)=O)cs3)C2)C1 1583134382 WYBOCQOOUNKVOZ-WZEQGRABSA-N 419.507 1.896 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CCC3)cc2C1=O 1584492181 MEBUGVVSGHXVBI-KRWDZBQOSA-N 402.472 1.508 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)c3nc(O)c(C#N)cc3C)cc2)CC1 1585631561 QXSZCWOCEYYXFV-UHFFFAOYSA-N 409.446 1.515 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CC(=O)OC)s1 1586959354 BFJAEVVZOWSFIG-ZDUSSCGKSA-N 400.522 1.699 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588030507 WPRDJNQNJUORSQ-HNNXBMFYSA-N 416.507 1.352 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588054759 PQJCNWYSTKQKPL-KZNAEPCWSA-N 420.535 1.144 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)F 1588200438 PQBCLQKQGSRUMC-UHFFFAOYSA-N 406.824 1.838 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1593740706 CWWNSVWDROAQPG-IAGOWNOFSA-N 404.515 1.668 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1594829365 IMJSEUVPAGNMAL-ROUUACIJSA-N 407.515 1.263 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1595551291 NODZUEHVPPTENM-UHFFFAOYSA-N 414.558 1.225 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CCC(F)(F)F)nnc1[C@]1(OCC)CCOC1 1595593745 ILFOKASKQDDVOQ-INIZCTEOSA-N 405.421 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@H]1C 1595823254 MQOVHPCEUNDEOS-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(CC#N)cc2)C1 1597576441 IVRIRTHFBVMXMW-KRWDZBQOSA-N 421.519 1.907 30 10 HDEE C#CCC1(NC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CCOCC1 1598175853 IPZNKJOCWBZCLL-HNNXBMFYSA-N 416.474 1.754 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1611765337 JWGPBZVQEKFOEG-RZQQEMMASA-N 402.499 1.184 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1614974590 HCVGOSYYFACTBE-SFHVURJKSA-N 423.521 1.648 30 10 HDEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C1CCOCC1 1618321228 CLEBIKCHJYRHPQ-INIZCTEOSA-N 408.520 1.930 30 10 HDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619846772 AVKZWTZYDMPMEW-QZTJIDSGSA-N 410.478 1.715 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1623969836 UTNVHYFPQCJKAX-SFHVURJKSA-N 408.520 1.733 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C(=O)NO)cc1 1626238482 DFXYPTAONPXEIT-UHFFFAOYSA-N 405.476 1.071 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)ccc1O 1627245164 DOCYKYIHWVQPHY-UHFFFAOYSA-N 402.476 1.115 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1627793894 ADUKQMURXMABCB-KFWWJZLASA-N 414.549 1.747 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1628631416 VZRVMJRCCNJTPC-AEFFLSMTSA-N 403.523 1.265 30 10 HDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1631208948 RPAKAKUGSWCRTM-BRWVUGGUSA-N 424.542 1.963 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1632079034 VIOBATDBCZJJNP-GFCCVEGCSA-N 403.298 1.204 30 10 HDEE C=CCCOCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1633406634 DWNMSSWBLKZWBI-IEBWSBKVSA-N 410.536 1.643 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CNC(=O)c1ccccc1I 1635343040 LMWPUGBPXWHDJU-NSHDSACASA-N 402.232 1.464 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c(=O)nc1O 1636393358 JJKJQQHUCVUCEU-NUEKZKHPSA-N 415.247 1.428 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)CC1 1636414054 CAQFQPDYDLBJHT-KRWDZBQOSA-N 405.495 1.984 30 10 HDEE O=C(Cn1ccc(O)nc1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463664 MJQISPPRVGWFLD-BQBZGAKWSA-N 421.244 1.578 30 10 HDEE C#CCC1(O)CCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 1636660736 PDLYNUQTFSGFFS-UHFFFAOYSA-N 413.474 1.571 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN2CCSC[C@@H]12 1638408390 YYAUURHSGATHEL-VYDXJSESSA-N 401.540 1.148 30 10 HDEE C#CC[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OC 1638827132 RMFXPZBUWLFMOE-GOSISDBHSA-N 406.504 1.305 30 10 HDEE CS(=O)(=O)NCC[C@@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O 1641536698 OQCCNRWSBPTKDC-INIZCTEOSA-N 403.504 1.080 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 1641855852 UIDDBCVMDSUIJZ-UHFFFAOYSA-N 415.833 1.974 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 1642951096 TWTBOUGHIIWBCI-UHFFFAOYSA-N 408.461 1.473 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)Cc1cccc(OCC#N)c1 1645563833 KDQZQNONHYWFRI-NRFANRHFSA-N 419.478 1.246 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NOc1cccc(C#N)c1 1648729480 PFWSZYBIIWYASY-MRXNPFEDSA-N 402.451 1.874 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OC 1652012551 BNIWVFWQOXCVTG-FZKCQIBNSA-N 410.536 1.907 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 1653917256 DOTLJSHUIXQIDA-YNEHKIRRSA-N 409.936 1.596 30 10 HDEE N#Cc1ncc(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)nc1C#N 1654950746 NSCFJGODZSWRBV-UHFFFAOYSA-N 408.365 1.148 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)n1 1658505198 SERCLXKMQCJDTB-ROUUACIJSA-N 404.511 1.155 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 1659647367 MYSCSYUKGPRNQQ-ZDUSSCGKSA-N 410.565 1.698 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1663820014 YOBWGRBNWZRTSK-NSHDSACASA-N 401.282 1.939 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CC[C@](O)(CC#N)C3)cc2)C1=O 1672648729 UKNZDYAIBBWWCM-LEWJYISDSA-N 411.462 1.472 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 1674589393 AEPALZUKFKBMGM-LJQANCHMSA-N 405.520 1.521 30 10 HDEE C=CCc1cc(CNC(=O)NCc2cn(CC)c(=O)nc2O)cc(OC)c1OC 1676274375 AFQYHBGSPAOGGC-UHFFFAOYSA-N 402.451 1.714 30 10 HDEE CC1(C)CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1676575239 QJFQUWBVEDZTJT-KRWDZBQOSA-N 420.535 1.922 30 10 HDEE C=C(C)[C@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)c1ccc(F)c(F)c1 1681783343 IZUXIRXHFAWDFF-IBGZPJMESA-N 408.449 1.962 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1681943144 BMTCQYLXZYEDIB-MJGOQNOKSA-N 407.536 1.702 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2ncc(Br)n2C1 1687854437 DPKHVGFWLNCNBM-LBPRGKRZSA-N 411.300 1.947 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)CC 1689835172 HMQDDXKPRRPLHO-RXBISOJRSA-N 408.549 1.575 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1689853565 VYAZRIHUROCNHG-WMLDXEAASA-N 421.498 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNC(=O)Cc1cccc(F)c1 1690013356 LHLFVVJJUCVCQL-UHFFFAOYSA-N 417.448 1.306 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1690523487 BUFKYVVNIWCVQU-MRXNPFEDSA-N 416.526 1.985 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690674244 UJVQIXIYLIGNIF-IBGZPJMESA-N 420.521 1.913 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1690992916 BNNXSFDFVIWCQQ-VCBZYWHSSA-N 420.539 1.392 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)C1 1696941916 HVPXTDIHTZVIJT-KRWDZBQOSA-N 423.521 1.551 30 10 HDEE COCCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1C 1698078141 HDVCEANTSSAFHO-HNNXBMFYSA-N 415.498 1.086 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C[C@H]1C 1698087543 FYCFGPQCKLRDOT-VQIMIIECSA-N 416.501 1.958 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1705499975 CTSUWVDXYNEYDN-OAHLLOKOSA-N 421.505 1.802 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1705695380 WDXBLFVMFNVQNG-MAUKXSAKSA-N 418.542 1.456 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)CC1 1705704961 BACAXXLEWHCCHE-IEBWSBKVSA-N 417.535 1.480 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCOC1 1705733356 MXFVHHZUMLKNJP-QGZVFWFLSA-N 424.509 1.986 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1705830897 XRJBGGOBVCBCPK-QFBILLFUSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1705834582 NXDFWROLCHVFDT-UKRRQHHQSA-N 412.585 1.875 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1705861825 QEZYDCQWPPESJN-HNNXBMFYSA-N 418.448 1.803 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1705877920 QVFRBJWNVYCKHE-UHFFFAOYSA-N 414.535 1.958 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1nnn(C)n1 1705885017 DRPRKNFLZIMARD-UHFFFAOYSA-N 404.425 1.358 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)C1 1705924943 HYRSUVZXVPHBQO-DLBZAZTESA-N 403.527 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2cncn2)C1 1705929921 ALZVXNPEYRJVOJ-HOTGVXAUSA-N 407.544 1.825 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(CO)CC1 1705937158 KOWYOXAMODPJJA-UHFFFAOYSA-N 405.524 1.073 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1706632722 GUBVBCOMEZZCFQ-NRFANRHFSA-N 409.494 1.433 30 10 HDEE CC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1708123004 DZOFQDHOZSPQHY-DXQAYGFFSA-N 400.483 1.545 30 10 HDEE CC[S@](=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710905488 MNXIICTYZBNAAK-NDEPHWFRSA-N 401.540 1.763 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1710980858 UMQOXSCVHUGJQJ-CVEARBPZSA-N 410.434 1.409 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1711410637 SAYCEORKPMDZFA-INIZCTEOSA-N 409.494 1.705 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCc2nccn2C1 1712451894 JJGPHIZHCZAGQY-INIZCTEOSA-N 414.514 1.242 30 10 HDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1712577442 UNASPJSUZIKRQB-JKSUJKDBSA-N 420.514 1.037 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1NC(=O)CC1(C)C 1712625156 RXIBWIHWCLMCRW-MPTYRVRUSA-N 404.515 1.513 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1712713694 GOXIMPXWIJHBSX-SONOPUAISA-N 412.519 1.430 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1722324712 WVBXLAOXMQSQKD-KGLIPLIRSA-N 424.552 1.336 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1722346552 YLHDYZFQKRGFCL-AWEZNQCLSA-N 407.496 1.045 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1 1722396661 CJLBVFNCRKTBAZ-IBGZPJMESA-N 418.501 1.051 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722437360 RTTXGBCDLYYYEH-ZWKOTPCHSA-N 421.567 1.100 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722510593 SZWHEDULRLHVDG-GHTZIAJQSA-N 418.586 1.812 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1722694091 KZIUZUCYNIRGLR-UHFFFAOYSA-N 415.457 1.782 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2ccco2)C1 1722700753 SPFRSCPURXLFKM-SFHVURJKSA-N 408.462 1.737 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1722705526 DGRGIMLHUAVYBY-YJBOKZPZSA-N 413.478 1.536 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCn2cc(CO)nn2)C1 1722712497 SXFMTRHKRPOPIR-KRWDZBQOSA-N 412.498 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(OC)CC1 1722727924 PVGINDZVLHHOLB-LJQANCHMSA-N 420.539 1.731 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1729189120 QKLAXRXOJYEZTC-AWEZNQCLSA-N 403.508 1.601 30 10 HDEE CN(Cc1cscn1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729439882 LYCUYSIRUBBLCS-ISLYRVAYSA-N 413.507 1.850 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1729761872 BLFXZJNJHTYLAO-QGZVFWFLSA-N 408.462 1.342 30 10 HDEE CO[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1729939398 FBVMGFFQAHSCHG-UXHICEINSA-N 402.499 1.450 30 10 HDEE COCC[C@@](C)(O)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1730639677 VMGOLFOQTXHESC-RTWAWAEBSA-N 421.542 1.846 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1730953751 AHAJQACKPUFUER-NVALYEJGSA-N 417.466 1.232 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740575010 NQEMIKDIQVDZFY-GOSISDBHSA-N 421.505 1.540 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1740621784 PBBJMUNPQARTRF-MRXNPFEDSA-N 414.535 1.964 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740623291 QZMOPVJIWLUJAZ-NXOAAHMSSA-N 419.551 1.292 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)CCCS2)CC1 1740689246 SNBTWVGUFIOZLO-FQEVSTJZSA-N 402.568 1.555 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CC2)CC1 1740704134 LACMSEPKZYONRI-UHFFFAOYSA-N 409.490 1.444 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1n[nH]c(C)n1 1740928797 VTOGNIBVWCFYRZ-UHFFFAOYSA-N 417.481 1.768 30 10 HDEE Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)n1 1742719079 AJQXVKLHSQVFRK-CJNGLKHVSA-N 422.559 1.388 30 10 HDEE Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n1 1742719082 AJQXVKLHSQVFRK-XJKSGUPXSA-N 422.559 1.388 30 10 HDEE CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745652700 CVQLSHUDPUHJDD-UHFFFAOYSA-N 404.434 1.870 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1748270991 DSPZTNYAYAHBRY-UHFFFAOYSA-N 409.494 1.400 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(SC)CCN(C)CC1 1748772464 WFYZDOKYRCTPMQ-FQEVSTJZSA-N 407.584 1.827 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCC1 1749051954 SGMFYLZAPOLQDY-GOSISDBHSA-N 407.540 1.376 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749115724 VMKJPEYORZYJEC-BBWFWOEESA-N 416.526 1.162 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1749462066 MWBPUDUQIQSJHN-CQSZACIVSA-N 418.464 1.692 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749487156 AZZKXOLNEAKSMB-ZIAGYGMSSA-N 421.489 1.687 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](N1CCOCC1)C(F)(F)F 1749498722 GUXFRHMPIKAZDL-AWEZNQCLSA-N 416.448 1.286 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750535136 MDGRLWIKUUFNIC-CVEARBPZSA-N 413.434 1.614 30 10 HDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCNS(C)(=O)=O 1751907888 JHNCRLFVIONQIY-UHFFFAOYSA-N 418.523 1.445 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccccc1F 1760095137 HJRRTGXECOFQAM-CQSZACIVSA-N 400.458 1.443 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1760124862 CDRWTUUDZOCQLA-KRWDZBQOSA-N 415.519 1.468 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760171517 MLYLJMBOVBUZIA-OALUTQOASA-N 408.506 1.200 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760188315 OKMQFQCQCHUIIB-INIZCTEOSA-N 403.508 1.907 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760220933 FSCKIQLKCMDESH-IBGZPJMESA-N 411.531 1.552 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccnc2)CC1 1760251683 GQMILVGDTVUDTB-UHFFFAOYSA-N 409.538 1.589 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CC=CCO2)CC1 1760268201 NNSFPBBTHVUBBM-GOSISDBHSA-N 406.490 1.651 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[S@@](=O)C(C)(C)C)CC1 1760271974 TZVDPGGICKJOHQ-GDLZYMKVSA-N 419.595 1.744 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(N)=O)CCCC1 1760290769 PGSKQONLDVXDEC-IFMALSPDSA-N 415.538 1.968 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)C1 1760542259 FJBJLHNJWXRMAD-DLBZAZTESA-N 420.539 1.248 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772793091 QUZHNGNKZCPRSE-MSOLQXFVSA-N 408.410 1.662 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCC1OCCO1)C(=O)ON1C(=O)c2ccccc2C1=O 1772794111 ZYNMTEQJEFAHNN-AWEZNQCLSA-N 420.418 1.787 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(Cc2cccc(C)c2)C3=O)CC1 1848520700 FWUIPUXYLGJLDB-HXUWFJFHSA-N 403.504 1.930 30 10 HDEE C=CCN1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850843626 IRAUYGMYFLUFMZ-UHFFFAOYSA-N 405.442 1.704 30 10 HDEE COc1cccc(C#N)c1OCC(=O)Nc1cc(N2CCN(C(C)C)CC2)ncn1 1852623760 IKRZBDCAGXKQBD-UHFFFAOYSA-N 410.478 1.905 30 10 HDEE C=CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)c1ccc(C#N)cn1 1853353821 WVOGLYGRVRUXJF-FQEVSTJZSA-N 424.526 1.814 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)CCC2CCCC2)C1=O 1854290801 LWCRSVFGBUIQHV-IBGZPJMESA-N 410.522 1.957 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)CCc3c(C)nn(C)c3C)C2=O)CC1=O 1854861671 XACWKJUMIQPPBN-IEBWSBKVSA-N 415.538 1.063 30 10 HDEE CCOc1ccc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1OCC 1855003975 YWTAFKYMKWNTHZ-GOSISDBHSA-N 414.506 1.756 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1855083109 LSQRIZITTGOEEQ-SJORKVTESA-N 416.547 1.833 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1855428445 QOFYNNHGEMNXEU-HOTGVXAUSA-N 408.499 1.233 30 10 HDEE Cn1ncnc1CN1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856174493 AZLWVFOZRMKCBE-LJQANCHMSA-N 406.490 1.517 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCN(CC(F)(F)F)CC3)C2=O)cc1 1856574759 BSDGWKGLDZGZEJ-QGZVFWFLSA-N 408.424 1.798 30 10 HDEE CN(C)C(=O)C1CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1856594785 KASYTIKWLCQFOO-LJQANCHMSA-N 410.518 1.666 30 10 HDEE CN(C)c1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856603302 NDXNFZHXYAPAGM-QGZVFWFLSA-N 420.491 1.279 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856914155 SZAYTKDNZMJMLS-GOSISDBHSA-N 418.519 1.873 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)CCN1CCCC#N 1857079392 DCLUTNBAPVEHKE-HNNXBMFYSA-N 400.454 1.932 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4ccc(OC)cc4C3)CC2=O)CC1=O 1857215345 LTKCMZMDHWYEGF-QFBILLFUSA-N 411.502 1.463 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N[C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298405 NNNXGJPSRLFPMW-QGZVFWFLSA-N 424.482 1.270 30 10 HDEE C=CCn1cc(OCc2ccc(OC)c(F)c2)c(=O)cc1CN(CCO)CCO 1870382764 LABGHKUCOUIAEE-UHFFFAOYSA-N 406.454 1.548 30 10 HDEE COc1ccc(-c2nc(C3=C(N)N(CCOCCO)CC3=O)sc2C)c(OC)c1 1872796416 ZHOGPJOHGYXFDL-UHFFFAOYSA-N 419.503 1.657 30 10 HDEE COc1cc2[nH]c(C(=O)O)c(/C=N/n3c(SC)nnc(C)c3=O)c2cc1OC 1873495553 VDQMRDFPNMOGLT-CNHKJKLMSA-N 403.420 1.748 30 10 HDEE C=CCn1c(C(=O)NCCCCN2CCCC2)cc2c(N(C)CCO)ncnc21 1873594754 APHIABUXKCKVNF-UHFFFAOYSA-N 400.527 1.652 30 10 HDEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1[N+](=O)[O-] 1890106040 JKYDLSILHLIGNW-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE C#CCOC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)C1 1892048366 FKYASYCTRIOLRH-UHFFFAOYSA-N 414.483 1.648 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2074666020 UYOAWSVKACGPGR-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE C=CCN(C(=O)[C@H]1C[C@](O)(c2cn([C@H]3CCO[C@H](CC(=O)O)C3)nn2)C1)C(C)(C)C 2087912834 PWONHQOCENPBAY-VCAMNPENSA-N 420.510 1.884 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)nc1)NC(=O)OC(C)(C)C 2118168654 UADAGVFVVOGBMP-JPQMIFPKSA-N 402.498 1.653 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C(F)(F)F)CCCN1S(=O)(=O)N1CC(C#N)C1 2174780555 WADGUWWRFCLQBB-AWEZNQCLSA-N 412.434 1.608 30 10 HDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(C#N)cc2Cl)(C(=O)O)C1 2174783334 BCPFAZJZGRTCBZ-UHFFFAOYSA-N 415.855 1.564 30 10 HDEE C#CCCN(CC(C)C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2180105142 YISFGLARYLQDRB-MRXNPFEDSA-N 400.541 1.919 30 10 HDEE C[C@H](NC(=O)[C@H]1CCCS1(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625904 DMRJIYCSQNDORE-CMPLNLGQSA-N 400.331 1.197 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COCC(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195307717 YZAFMFHMZLXEMO-AWEZNQCLSA-N 404.529 1.928 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)C(=O)OC(C)(C)C 2247922326 GHALNJJOPBXMKQ-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250001154 SIMFWFUDUFRKEU-CQSZACIVSA-N 423.319 1.286 30 10 HDEE C=CCN(CC1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258136462 XSCJJQYXBJEYBP-KRWDZBQOSA-N 410.492 1.682 30 10 HDEE CN(Cc1cnsn1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267719331 BCMKIILNECEHOW-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CN(c1ccc(C#N)cc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270534336 FDSCLKFCXSOCAP-KRWDZBQOSA-N 417.443 1.704 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@H](N)[C@@H](O)C3)c2Cl)OC1(C)C 2281950723 ZXVBZGCJIUQXJQ-USWWRNFRSA-N 400.737 1.529 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H]1C[C@@H](O)C1 2282325915 LJGVFIWOPYUNHL-BETUJISGSA-N 401.359 1.747 30 10 HDEE CN(C)CCC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333798 STOIJOQMCYAUNP-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2CCCNC2)OC1(C)C 2282341116 NYPGHMPKGIIPDR-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@H](CCN)C2)OC1(C)C 2282490484 IKKCTCYGKJYFOF-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3O)c(Cl)c2)OC1(C)C 2282495886 SNOBKEYOYASXNS-ZIAGYGMSSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)OC1(C)C 2282501267 VEQHRPNCDWYEIK-VXGBXAGGSA-N 402.347 1.165 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1 2282506654 VOCRILRAULBVAE-NSHDSACASA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H](CN)C3)s2)OC1(C)C 2282850256 MTKGJEJJKRWLCS-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](CN)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282866253 GOODAPJSINLHIY-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CC(C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OCCO 2282875535 QGTFYYNHELEMQN-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE CC1(C)C[C@H](CO)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282882834 RKEYVQWNKRCVGS-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](C(=O)O)C3)cc2Cl)OC1(C)C 2284404165 WYCJJAPHIONKEV-VIFPVBQESA-N 421.733 1.796 30 10 HDEE CCC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284416402 XMEFGSYLEXZPBA-NSHDSACASA-N 403.331 1.827 30 10 HDEE CN(C)[S@@](=O)(=NCc1csc(C#N)n1)N1CCN(C(=O)OC(C)(C)C)CC1 2286711779 DDQJESXMEFNWJT-MHZLTWQESA-N 414.557 1.927 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1 2351014549 ZTVSDUFCXBNOLC-UWVAXJGDSA-N 420.487 1.021 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)Cc1csc(CNC(=O)OC(C)(C)C)n1 2367803344 KDUICJUMSTXUIX-CYBMUJFWSA-N 413.565 1.879 30 10 HDEE C=CCn1c(=O)/c(=C\c2sccc2C)s/c1=C(/C#N)C(=O)NCc1ccco1 3303814 QTNGWXFTAJAXDT-JTEVICMQSA-N 411.508 1.878 30 10 HDEE C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc([N+](=O)[O-])ccc21 13791853 OCSIEAQDXICNJX-NUMWXTGKSA-N 424.504 1.896 30 10 HDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccccn1 20291828 JQCFOATTXRGDBW-DJKKODMXSA-N 413.423 1.472 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccccn1 21324933 SATDZCATCDITCU-FSJBWODESA-N 414.470 1.771 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CC2)c1 45079558 PLQSCGXODBZKBM-SFHVURJKSA-N 405.458 1.612 30 10 HDEE C=CCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 223258025 RUZLEKUIXNODKZ-IEWDOMPSSA-N 416.423 1.052 30 10 HDEE O=c1cnnc(S)n1N=Cc1cc(Br)c(O)c(Br)c1O 334159324 VYXNJRLHUCAYRH-UHFFFAOYSA-N 422.058 1.745 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 410142972 OGLBIGYHOLREGG-IUODEOHRSA-N 400.501 1.865 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 460387868 MQVSASFCBRYDNN-GDBMZVCRSA-N 409.512 1.978 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465401025 JLLPVUBFNNYNLL-CQSZACIVSA-N 408.499 1.451 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 465492097 LUDDKFLYEJBYIQ-YJBOKZPZSA-N 422.514 1.601 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 478744133 HLABAJICEVNHDD-GOEBONIOSA-N 414.483 1.181 30 10 HDEE Cc1nc(C2(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCCC2)no1 480521736 GFFPRAVQQHRMRQ-GFCCVEGCSA-N 403.464 1.502 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 481747640 HSCAVFQNRDPMKR-USXIJHARSA-N 423.560 1.738 30 10 HDEE CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482207327 HPHOQCUWRCXNCO-ZDUSSCGKSA-N 400.460 1.846 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 483093649 XACHZAJKJDVACW-HYFFOGBASA-N 415.490 1.842 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 484923460 FNYVAGURBFWZSV-KUHUBIRLSA-N 415.471 1.531 30 10 HDEE Cc1nc(S(=O)(=O)NCCC(=O)N[C@H](CCCC#N)c2ccccc2)cn1C 487390238 PPHUBVZPWXANBG-QGZVFWFLSA-N 403.508 1.948 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 505922695 KOJQKMDCLRXEGE-LJQANCHMSA-N 420.504 1.590 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 507502395 RPSNMQFYNHGEOI-CQSZACIVSA-N 424.954 1.965 30 10 HDEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 507538910 XBEOGCDGPRUXRK-UHFFFAOYSA-N 423.545 1.912 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 508025106 APWQIDUDQKWIFZ-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508638210 NXYFUHOKAMBYJK-NVXWUHKLSA-N 404.492 1.130 30 10 HDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCN(CC(=O)OC)CC1 508962867 RLYJYOXGXFJSRK-UHFFFAOYSA-N 401.467 1.347 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1-n1cccn1 510230074 KCQVLNUKIOYKJD-OAHLLOKOSA-N 409.471 1.727 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)s1 514868322 CRLVUMWATQKLPP-UHFFFAOYSA-N 405.505 1.162 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 518496956 MMNQIUHNYMQFAH-UHFFFAOYSA-N 408.462 1.859 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CC1 522317684 YGGSUVRCOFIJKC-UHFFFAOYSA-N 423.517 1.026 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCOc3ccccc32)CC1 524454180 VKSBXIQUOYBKSV-SFHVURJKSA-N 411.483 1.957 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC(C)(C)N3CCS(=O)CC3)CC2)o1 526003054 MQCVBPJBRMMKNE-UHFFFAOYSA-N 407.540 1.030 30 10 HDEE C[C@H]1CC[C@H](C)N1CCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 533606568 DUTMBAPOBCXZPA-OALUTQOASA-N 404.580 1.822 30 10 HDEE Cc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 539503305 AFZASXAWSWOTDA-AWEZNQCLSA-N 402.480 1.833 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2cc(C)nn2CCC#N)c1OC 540077951 PPHYEEIVUDCVOW-UHFFFAOYSA-N 408.436 1.710 30 10 HDEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544834483 GHZGTWAOUCUBCZ-LJQANCHMSA-N 420.452 1.520 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546881489 DBRBKRPHENYCPD-UHFFFAOYSA-N 420.516 1.176 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 549293409 IWVAXTCZCDSCRP-ZDUSSCGKSA-N 409.450 1.444 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccn(C)n2)c1 552402631 PKSWGOJLNQCUQR-UHFFFAOYSA-N 410.521 1.608 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C 555124542 RYMQNPYIRQZWLR-UHFFFAOYSA-N 420.416 1.365 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 570742640 UEBRRGWUNYMDLS-INIZCTEOSA-N 413.544 1.192 30 10 HDEE C[C@@H]1C[C@@]2(CCO1)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C[C@@H](C)O2 570865053 NHQYUSCXOORTAK-CLCXKQKWSA-N 407.492 1.022 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCCO2)cn1 571899342 RUVDYRGXLLXCKA-GOSISDBHSA-N 419.493 1.451 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1C 581338329 WVOMZZGIFRFHSC-UHFFFAOYSA-N 411.549 1.633 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)c(F)c1 586809408 IDAGZPCVFHYBBQ-LJQANCHMSA-N 424.432 1.747 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 610620811 LSSHAODDUJHJKC-QFBILLFUSA-N 406.552 1.733 30 10 HDEE CS(=O)(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1F 610730995 JZNNKWADSZUTDK-UHFFFAOYSA-N 407.398 1.636 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(OCCCO)CC2)cc1Br 618999342 WPFACEFAPNEHAK-UHFFFAOYSA-N 403.298 1.873 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2OC)C1=O 672005078 SQOFPHIXISINEG-CQSZACIVSA-N 424.295 1.319 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@](c2ccccc2)(C(F)(F)F)C1=O 726364874 HGCDJCSRUOWTHI-KRWDZBQOSA-N 407.352 1.652 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCN(c4ncccc4C#N)CC3)C2=O)cc1 726585465 WXIHWHLTCAFIEA-UHFFFAOYSA-N 415.457 1.369 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 727010787 MJKZQDFMBUPCRP-UHFFFAOYSA-N 417.425 1.333 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 728533259 ZIUDUGHSYQFKOV-UHFFFAOYSA-N 404.536 1.548 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 729331717 GIQVUSHNONUAGJ-DZGCQCFKSA-N 424.906 1.350 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)NCC(=O)N3CCCC3)cc2)nc1 732400853 ACEDVCAUJRAAKB-UHFFFAOYSA-N 408.414 1.641 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC)c2=O)cn1 732563042 QBCDMRSRDUSYMP-UHFFFAOYSA-N 408.483 1.541 30 10 HDEE N#C[C@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CCN1C1CC1 732700512 IAZXSLDOYLPGQR-INIZCTEOSA-N 420.311 1.561 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(OCc3cscn3)c2)CC1 733150202 FGEBEWOTPSTDRE-UHFFFAOYSA-N 412.515 1.619 30 10 HDEE COc1ccc(CN(C)C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741339896 CFFUUTJDOOGFGB-FMQUCBEESA-N 401.419 1.113 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)c1=O 742160750 FLSOXCBVKGHHMJ-MAUKXSAKSA-N 416.453 1.102 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1C#N 747021576 PGBMUGORYDCEJX-CYBMUJFWSA-N 404.444 1.583 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)[C@H](C)Oc1ccccc1C#N 748865156 MGWSJGHJVZHUQK-NWRYFCBHSA-N 404.444 1.849 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1c(C)oc(-n2cccc2)c1C#N 749092593 AOWLYOADGOYEQY-MUIFIZLQSA-N 411.414 1.816 30 10 HDEE CCOC(=O)[C@@H](CC1CC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 752724308 KDWXCOZFZBEXEQ-OAHLLOKOSA-N 407.492 1.353 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1-n1cnnn1 760406611 RSIOJSWNZONUOG-UHFFFAOYSA-N 404.452 1.205 30 10 HDEE N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1)c1ccccc1 766105826 VTSYTBQUFQKDBI-IBGZPJMESA-N 413.474 1.894 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C1CC1 770764321 KOCBZSXTQGKXPR-MRXNPFEDSA-N 406.446 1.419 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C(C)C)c2)N(CCc2nnnn2C)C1=O 771546289 FRRDASMCCWYXNF-HNNXBMFYSA-N 415.523 1.644 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)cn1 772304518 YYFRJQWWGLZANP-UHFFFAOYSA-N 420.498 1.285 30 10 HDEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 773880255 YORKBGPUGAJMKT-HNNXBMFYSA-N 409.446 1.464 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774032453 LTNMCDAJYOSPJX-AWEZNQCLSA-N 417.409 1.633 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C#Cc4ccccc4)CC3)C2=O)n(C)n1 780566262 PDHAQASYBMLLCT-HXUWFJFHSA-N 405.502 1.420 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCC1)CC2 786802104 WECSZKWDPLQDGZ-AWEZNQCLSA-N 401.463 1.556 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(c3c(F)cccc3F)=NO2)n1 791018552 OXCAIKVVEHLQLS-GOSISDBHSA-N 402.401 1.963 30 10 HDEE COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798745781 VORIYAJNJYGUGZ-STQMWFEESA-N 401.423 1.318 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 804458167 BOQVIKAZRNIUCS-YJBOKZPZSA-N 402.520 1.455 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cc(F)c(F)cc1N1CCOCC1 804724068 DCBUCTJTSKNSAF-VHEBQXMUSA-N 406.389 1.656 30 10 HDEE CN(CCN1CCN(Cc2ccccc2)CC1)c1ccc(S(N)(=O)=O)cc1C#N 804787578 OPAKGBDUJKWFCR-UHFFFAOYSA-N 413.547 1.460 30 10 HDEE C#Cc1ccccc1CC(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 811257096 BJKOZIQMWDLGFV-HUUCEWRRSA-N 414.483 1.667 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 816950419 RLZPUIVUOGSXEE-HYVNUMGLSA-N 404.536 1.302 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4cnccc4C#N)CC3)c(=O)[nH]c21 816994007 BSBFJQNSLXXZMR-ONEGZZNKSA-N 417.473 1.934 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cc1 916178633 GXLAKTDWHVOSFD-VYDXJSESSA-N 422.532 1.230 30 10 HDEE N#Cc1ccccc1OCC(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 918840430 ZQAKLVNAPQBIDM-UHFFFAOYSA-N 421.453 1.901 30 10 HDEE CCS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CCCC2)c1 1083812829 CAUHXVPCPJBCFC-UHFFFAOYSA-N 408.329 1.983 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)nn1 1129930566 MRQMWBKLVGMCCD-UHFFFAOYSA-N 402.414 1.799 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1135000871 NDMPXYPPLSBIIA-UHFFFAOYSA-N 407.492 1.015 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3CN(S(C)(=O)=O)C3)c2)c1 1136010792 BVGBSNDSPFULQF-UHFFFAOYSA-N 412.467 1.703 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@]2(C)CCCS2(=O)=O)n1 1136554068 FQFGJUZHRAMRGY-HNNXBMFYSA-N 413.550 1.706 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccccc2C#N)CC1 1143101535 RKVFTYKWQFWNPG-UHFFFAOYSA-N 418.544 1.759 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cc(C#N)ccc2F)c1 1144417589 CRVATDLWELAHEJ-NSHDSACASA-N 404.423 1.362 30 10 HDEE C#CCN(CC(=O)N1CCC(N(CC)S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 1145003657 ICETTWLSIARABL-UHFFFAOYSA-N 401.529 1.129 30 10 HDEE CO[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCOC1 1146950579 MIGOQZNHDIFXMF-PXAZEXFGSA-N 408.296 1.925 30 10 HDEE N#Cc1cccc(C2(NC(=O)CN3CCN(c4ccccn4)CC3)CCOCC2)c1 1147809505 IUOPVYLEFLNWFE-UHFFFAOYSA-N 405.502 1.897 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152929459 GKTXMIJWWKAFMZ-IEZWGBDMSA-N 410.536 1.235 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCOC2(CC(C(=O)OC)C2)C1 1154754600 ZSFKOXSRLSWMPI-FMPZLKCCSA-N 408.495 1.910 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1162679183 FMCVTXDGRBPJJZ-RUENVJTFSA-N 405.520 1.742 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@H](C)C(=O)N(C)[C@H](C)[C@H]3C)ccc2c1=O 1163827069 HYCMKUYTAQTQFF-JHJVBQTASA-N 400.504 1.951 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 1167317775 JCOPZBYDSTTYGK-DCVLJMKFSA-N 410.474 1.760 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)cc1 1176372140 JEVHLTJKZWCCAS-GOSISDBHSA-N 418.471 1.501 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 1226925304 HESLMGQZQUDOKQ-CQSZACIVSA-N 401.554 1.395 30 10 HDEE COCCC[C@@H](Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1248417498 FALFBJUSJKZBEG-KRWDZBQOSA-N 411.462 1.425 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1C#N 1262634017 PYFUYHYIZALKEF-ZDUSSCGKSA-N 403.460 1.156 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1277135379 DFDNLHUQWCZKNJ-DOTOQJQBSA-N 416.499 1.886 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccccc1F 1286462113 CYIWYOVJKSEPNQ-UHFFFAOYSA-N 423.452 1.390 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cncn1 1286774011 XGFBHUNYUHEDPL-GOSISDBHSA-N 411.466 1.721 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286810144 NVQPOWPAHMCBOB-GVDBMIGSSA-N 403.527 1.868 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)[C@H](C)C1 1286875136 AUNNDAGWNVACEP-IVZQSRNASA-N 421.505 1.352 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1286906351 GYXAFSWJJBMARE-SFHVURJKSA-N 405.466 1.213 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1290674361 FFQBCTNCAXKJSI-SWLSCSKDSA-N 402.252 1.917 30 10 HDEE N#CCCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)o1)c1ccc2c(c1)OCCO2 1292822532 VCAXBTIDIXMSCA-UHFFFAOYSA-N 411.823 1.912 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1295652942 GFSGEYKNGNJSTA-LJQANCHMSA-N 407.478 1.992 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1296263364 AZBWOZAFOJKJLN-GOSISDBHSA-N 409.490 1.850 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300295982 PRBRHICOISNDKA-PKOBYXMFSA-N 411.554 1.684 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1300544716 CLQNFMKQXUIUQJ-UHFFFAOYSA-N 423.565 1.448 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCC1 1300545465 PNRZMNYLOZLGJB-UHFFFAOYSA-N 410.547 1.828 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCC2)CC1 1300727312 WGSZDNAVGDDGIQ-KRWDZBQOSA-N 401.511 1.053 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1301491578 LLSNHSMUYMIJTO-HDICACEKSA-N 412.538 1.793 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)CN(C(=O)OC(C)(C)C)C1 1304848389 UHDLBJMGYLFXJW-LSDHHAIUSA-N 411.499 1.365 30 10 HDEE C#CCOCCN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1306016582 TYKIIEVBPXFVGS-QGZVFWFLSA-N 409.464 1.246 30 10 HDEE C[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@@H]1NC(=O)C(F)(F)F 1307960002 FWFJJSRHWGSGMN-CJNGLKHVSA-N 407.392 1.675 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)n1 1310038492 IUYIQBZJLIGIIS-UHFFFAOYSA-N 419.507 1.447 30 10 HDEE C#CC[C@H](COC)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1313096408 ARSFKCRUSFTJCH-HUUCEWRRSA-N 403.483 1.611 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)CN1CCOCC1 1316269400 GBWHCIHJLOTWIX-YRXWBPOGSA-N 420.558 1.566 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1316351211 JMSVNIQXVFIVPW-YOEHRIQHSA-N 415.491 1.023 30 10 HDEE C[C@H](C(=O)Nc1ccc(OCC#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1348652324 PNTJBMLYMCWUHL-CQSZACIVSA-N 402.451 1.995 30 10 HDEE CC(C)(C)C(=O)NC1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1357282112 CEYHLDFEFCNWNR-UHFFFAOYSA-N 402.499 1.778 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1358945343 CMHQKVVYYMPHAJ-UHFFFAOYSA-N 410.482 1.003 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCCC)CC1 1359031539 GTQMNNRTAXKLJG-UHFFFAOYSA-N 406.490 1.973 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359048130 GFXWXXXLIXQLMI-DOTOQJQBSA-N 403.552 1.884 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359048437 QTKRTDNIZXMGEB-HOTGVXAUSA-N 416.551 1.128 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359049475 PUZJBXGLLRAKSE-QLFBSQMISA-N 415.585 1.116 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C 1359091348 MKORYEWWBMLVPM-QXSJWSMHSA-N 413.544 1.095 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359126604 UAMDJWPLGIAGIH-HZPDHXFCSA-N 421.498 1.903 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1359301500 AHGGCIJMBVCPOR-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359303453 PFPPRRBTFSKLJR-QGZVFWFLSA-N 415.542 1.353 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359330056 FHTBUJVENQDGPY-IAGOWNOFSA-N 418.567 1.557 30 10 HDEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1439797863 REJHXANRSUKCAX-IFXJQAMLSA-N 418.475 1.595 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1440685773 SRBZDCHDTSALGE-UARSRXHTSA-N 411.524 1.419 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(-c3nnc4n3CCCCCC4)cc2)c(=O)nc1O 1440767586 CZFXPERGFWQNAF-UHFFFAOYSA-N 419.445 1.834 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1443615676 CHSJTTFRSNQIMD-UHFFFAOYSA-N 424.505 1.302 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)c2ccc(OC)cc2)c1 1451103145 FAGINZOGWRBSGM-SFHVURJKSA-N 401.484 1.998 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C1CCOCC1 1453747899 WHQGLNRASWZSIM-OAHLLOKOSA-N 407.423 1.341 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCCN2CCCS2(=O)=O)c1 1454528957 NHHHQDKAQDXNAP-UHFFFAOYSA-N 413.503 1.721 30 10 HDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CCO2)O1 1455471729 OEXOOOLIENETDU-SNRMKQJTSA-N 403.454 1.903 30 10 HDEE CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@H]1C#N 1460600508 FHODWKGBCFINNH-MAUKXSAKSA-N 406.508 1.270 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[C@](C#N)(c3ccccn3)C1)C2=O 1460603939 KLBMZQQLVDJVHR-VUQFPLBCSA-N 424.505 1.471 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1461135259 QPRYBDIJBJQWPK-QGZVFWFLSA-N 419.547 1.649 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1464060749 FYMNRUBBJNIPTE-UHFFFAOYSA-N 408.277 1.534 30 10 HDEE N#Cc1ccc(CCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)cc1 1470074537 GWGIIARTTFADHN-UHFFFAOYSA-N 408.277 1.941 30 10 HDEE C[C@@H](CC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1470598629 IUZADZOOKROIGL-ZDUSSCGKSA-N 415.519 1.838 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OCC 1475305348 LHMOBSVSXDGQSW-ZDUSSCGKSA-N 409.913 1.920 30 10 HDEE C=C(C)[C@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(F)c(F)c1 1478472032 KOLMBOOPWYEINU-CJNGLKHVSA-N 403.451 1.542 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)[C@@H]1CCCO1 1478479025 CGKAHQNKSMVVQL-FJIDUMEYSA-N 417.510 1.603 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCC[C@@H]1CO 1492909490 TVBANSHTRGYUQQ-HXUWFJFHSA-N 424.553 1.417 30 10 HDEE CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1502324687 UBLIIXYSBFXBEU-UDJKBAMHSA-N 424.509 1.330 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)C1 1505141333 ZMWRUOYPSDZCPO-QGZVFWFLSA-N 412.519 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1507637483 KMRPPBPZUMCITB-UHFFFAOYSA-N 423.464 1.320 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCN(C)C1 1507705481 DLNHNIAFVTXWCS-FQEVSTJZSA-N 414.466 1.006 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1507752533 AFJQPBMAKGBVJY-DOTOQJQBSA-N 403.552 1.771 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507929098 NFZUJFMAAPAWCZ-LJQANCHMSA-N 417.602 1.989 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1508036094 KDRDPADADJMFMH-DYESRHJHSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1508079835 DQUZFBDOXHENJB-INIZCTEOSA-N 424.505 1.591 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCC2)CC1 1508089024 ACAHAWDZIYKLKQ-UHFFFAOYSA-N 412.542 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508129101 ADZZDBYUNBQNRN-AWEZNQCLSA-N 410.500 1.272 30 10 HDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1508624678 CHEDCPJZXBCGLQ-QFIPXVFZSA-N 423.521 1.823 30 10 HDEE Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1511838512 XENAKXDHDNPFAJ-WQYLVOBCSA-N 400.483 1.508 30 10 HDEE CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCOC1 1516183178 ASPWVYXTDRDTJK-JENUVRPHSA-N 409.508 1.880 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCCN1CCOCC1 1525348648 GWAMFLPEPHGYFZ-KDOFPFPSSA-N 406.914 1.805 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nncn3CC2)c1 1527211299 JVDVFFOVTUNJBA-OLIJMITPSA-N 416.507 1.682 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1531182010 QTZZLVDGTDUTFU-UHFFFAOYSA-N 420.531 1.963 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)OCC 1535090800 ICBIFIBXYZLBBK-GFCCVEGCSA-N 404.828 1.802 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1538542035 MMIJKCVCRVCXHK-UHFFFAOYSA-N 404.517 1.534 30 10 HDEE O=C1COCCN1CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538725941 DELQIRDKHODWAW-HTQZYQBOSA-N 410.261 1.475 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1538992972 CDJAMCZYTDOPLF-HNNXBMFYSA-N 412.519 1.843 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1539003735 FYNZIUARUYXESM-DOTOQJQBSA-N 415.519 1.551 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539115736 HGFPXEXGJRAPMV-UHFFFAOYSA-N 405.466 1.274 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539125454 ZLYZIOCLNSQQAW-KRWDZBQOSA-N 419.526 1.939 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1539155088 SOIJIPWLUJYTGR-FXAWDEMLSA-N 404.511 1.931 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1539266204 NNUIBIGXCJQMGD-PGRDOPGGSA-N 424.526 1.087 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540871681 QULPWHIJJWEGAZ-DLBZAZTESA-N 418.542 1.073 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)C1 1540891290 RTMWBCOHVHZPNZ-ROUUACIJSA-N 402.543 1.742 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1541363166 OCXBSXWUHXRZBL-OAQYLSRUSA-N 408.510 1.473 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 1542757337 AKWQTJNLAABTOB-MRXNPFEDSA-N 405.462 1.431 30 10 HDEE Cc1cc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)n(CCC#N)n1 1543432331 HGMIZANSRVBDQI-AWEZNQCLSA-N 411.871 1.037 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1CC1C[C@@H](C)O[C@H](C)C1 1555554937 CWIXOFWVNKUFMZ-HZPDHXFCSA-N 406.531 1.986 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCCC[C@H]2CS(N)(=O)=O)cc1Br 1557804782 GIBQTNWFMRXOEA-LBPRGKRZSA-N 416.297 1.369 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(F)c(S(=O)(=O)NC3CC3)c1)C2 1558675438 DUJZNUZMAVPGPT-UHFFFAOYSA-N 420.491 1.980 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)NCC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1564278175 MPSUYKLTNFWVFJ-MRXNPFEDSA-N 421.542 1.835 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCS3(=O)=O)C2)C1 1569097755 OMMQPNJSFYNHHK-UARSRXHTSA-N 411.524 1.467 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@]2(C#N)CCCOC2)C1 1583798196 JMXNOCZBXPVDEM-FOIQADDNSA-N 408.499 1.186 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C)[C@@H]1C)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1585667496 WQUPMJXYKZJNIZ-LXDWIVHCSA-N 401.551 1.595 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)c(F)c1 1586831056 FXRTZLURUFWNFP-GFCCVEGCSA-N 407.389 1.617 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@@H]1C 1588266753 VCPKKUPWQBIOLK-ULQDDVLXSA-N 411.572 1.943 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCSCCCO)CC1 1588885774 YYHQFRWNCXQYER-UHFFFAOYSA-N 407.584 1.657 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2nncn2C)CC1 1588955399 WVAKZMYWVLSDCY-UHFFFAOYSA-N 410.526 1.153 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C 1589198405 VOLDCCSAYRCKJC-OAQYLSRUSA-N 405.462 1.674 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1593884254 GPVXHRBCMCDUTF-GOEBONIOSA-N 424.958 1.735 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594083521 QGSVDGVADPXHBN-UHFFFAOYSA-N 407.478 1.747 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1594963313 RJSUMJPCCCWVJY-INIZCTEOSA-N 407.496 1.304 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](O)Cc3ccccc3F)C2=O)cc1 1596274799 XQJCOWWDGBOWEO-IEBWSBKVSA-N 424.432 1.622 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCc4c(CC(N)=O)cccc4C3)CC2=O)cc1 1596640391 RYEYLISFAPCLNG-GOSISDBHSA-N 402.454 1.524 30 10 HDEE CC(C)Cc1nnc(N2CCSC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1606689887 PDBYMORCIYYNRE-IAFNSTAXSA-N 404.540 1.945 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1609506688 FXCRYDVMEDFPGX-LSDHHAIUSA-N 417.539 1.509 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1611243761 AYSXBJGVTGINSZ-DZGCQCFKSA-N 405.455 1.325 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCOCC2)cs1 1612387144 HYZDEJTWWWKGSZ-AWEZNQCLSA-N 417.539 1.621 30 10 HDEE CSc1cccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c1 1617480532 DXHBTEVZYPNNGO-NJSLBKSFSA-N 419.528 1.158 30 10 HDEE NC(=O)C1CCN(c2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)CC1 1618150252 WOODNDZAWPTOKX-XUTLUUPISA-N 411.462 1.243 30 10 HDEE CO[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618942614 QLSCTADPZCBONH-FUHWJXTLSA-N 411.510 1.800 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCn1cncn1 1620101808 BPFZRPVXOAZGOR-BXWFABGCSA-N 400.487 1.424 30 10 HDEE CO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620141097 QXFWRBQJMQKOLJ-QBNCKDSPSA-N 423.477 1.015 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1620649366 RYPORSSUDBGNBX-SFHVURJKSA-N 405.520 1.373 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(C[C@H]3CCCOC3)c2C)CC1 1623498846 GOSVQGXAJCCNAB-LJQANCHMSA-N 400.523 1.039 30 10 HDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCCCNC1=O 1627462812 TYWSQZCMVDIGQY-MRXNPFEDSA-N 405.296 1.884 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCNc2cc(OC)ncn2)c1 1630694908 WUBZYTOXWIMLSQ-UHFFFAOYSA-N 402.476 1.514 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)ccc1OC 1631595902 HXJLDLPODPJFNM-LSDHHAIUSA-N 410.496 1.339 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1632642272 CKXGPJJXWDUDPH-HXUWFJFHSA-N 413.518 1.831 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 1633278061 BUZSVUVCVQITMG-LBPRGKRZSA-N 407.345 1.016 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1633610375 FJAXEXFRIIFXAZ-HXUWFJFHSA-N 412.450 1.839 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1633899781 KEBRWUOUOHZWEB-FUHWJXTLSA-N 415.490 1.969 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1634845803 WQLAPWOLMNIKII-AEFFLSMTSA-N 408.543 1.914 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C(=O)OC 1635158926 OHDUOCYYAUWJHI-KBPBESRZSA-N 412.236 1.391 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)cc1 1635841645 SZVBLMJGIWQFDS-HNNXBMFYSA-N 400.456 1.915 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OCC 1636837494 CCZXPXUSKBJZHK-CYBMUJFWSA-N 419.297 1.724 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)c1 1637433300 UVMIMCPSCZRXCT-FQEVSTJZSA-N 421.505 1.081 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1638848528 UNLQGXLAKXYKTH-VFNWGFHPSA-N 413.499 1.527 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)ccc1F 1639741923 AROFWBFDLQUEBJ-HNNXBMFYSA-N 411.455 1.251 30 10 HDEE C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785545 SBQANVCJDIPOLS-MRUHUIDDSA-N 422.526 1.318 30 10 HDEE C#CC[C@]1(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1643641112 IEGQWVLXXGAMEQ-OAQYLSRUSA-N 416.478 1.693 30 10 HDEE Cn1cnnc1[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1643835080 PFVZSRQSIATLRZ-LBPRGKRZSA-N 415.295 1.902 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@H]1CC[C@H](COC)O1 1645171794 YQZLSTXKKZVUQQ-XMTFNYHQSA-N 410.511 1.715 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CC#CC)nnc12 1648902892 ZXYGWOKCBPQJJV-AWEZNQCLSA-N 411.487 1.213 30 10 HDEE O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040317 BTHRIRJHTRUZGC-YOEHRIQHSA-N 418.446 1.591 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1651874928 SWRZJKUTSYXZLA-LSDHHAIUSA-N 405.503 1.958 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](c4ncccn4)C3)C2=O)cc1 1652591581 XQKGLUMQWNQQPL-DOTOQJQBSA-N 404.430 1.569 30 10 HDEE C#CCOCCN(C)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1654000199 GEQUBWIRWABGFW-UHFFFAOYSA-N 405.499 1.880 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1661408213 PYQNSSJRRAWAAG-HNNXBMFYSA-N 422.463 1.679 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1661716342 WSDWGDZLLMOLGG-UHFFFAOYSA-N 420.281 1.976 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)cc1 1662047851 YISWFQDANYMISI-UHFFFAOYSA-N 402.472 1.888 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](N3CCOC3=O)C2)cc1Br 1662964507 FCHWFDWRLDWATH-JTQLQIEISA-N 418.244 1.675 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)c1 1664347348 KOOSPVGIXQQSBR-HNNXBMFYSA-N 413.521 1.010 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1665796858 FIBAKBZMGBQRCD-OAHLLOKOSA-N 404.510 1.113 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)C1CCOCC1 1670502295 JRXQHCMMFYRDKY-HNNXBMFYSA-N 416.521 1.164 30 10 HDEE C#CCN(C(=O)NCCc1sccc1Br)[C@@H]1CCS(=O)(=O)C1 1683697549 CDMUKFSHLDPDSP-LLVKDONJSA-N 405.339 1.885 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 1685177015 JAQOQBGKPCFXOS-HXUWFJFHSA-N 400.498 1.961 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1686368365 GVLPWKALSUGRQJ-QUCCMNQESA-N 419.497 1.571 30 10 HDEE C#C[C@H](NC(=O)N1CCC(n2nncc2I)CC1)C(C)C 1686676062 ULZYCGFRIMBKQL-LBPRGKRZSA-N 401.252 1.887 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCN(c2ccccc2C#N)CC1 1687235520 GZSWMAHIKLSSJW-QGZVFWFLSA-N 405.524 1.250 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1687593222 LPVXJOBPLREMMB-LJQANCHMSA-N 418.563 1.417 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCCn3ccc(O)nc3=O)CC2)c(F)c1 1687805048 PFGIBCIPOQHUMU-UHFFFAOYSA-N 415.425 1.603 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689987999 HILGVHWPOXPZLE-DJIMGWMZSA-N 420.514 1.444 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1690072329 CZDAMPLGZRDJLZ-UHFFFAOYSA-N 416.489 1.628 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1 1690082503 DJGDSVQRXLYKKJ-UHFFFAOYSA-N 404.421 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccncc2)CC1 1690153809 BLFITYASYGQIKR-LJQANCHMSA-N 408.506 1.733 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690275166 XHARQSWUUWTPQF-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690653441 QWXPIYRWXMDBCE-UEXGIBASSA-N 405.543 1.662 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1OC 1690655389 RPCOKMREASPMSP-UHFFFAOYSA-N 400.483 1.364 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1CC 1690665714 NEROZPKFXHIGID-INIZCTEOSA-N 407.482 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1690665882 SGNQSZINXCVSIV-HOCLYGCPSA-N 413.478 1.632 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN(C)C(C)C)CC1 1690668944 OOJQJAJYOQBZBG-UHFFFAOYSA-N 414.558 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1690726559 DMVTYDDATJCYFA-SFHVURJKSA-N 415.519 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)C1 1690727161 VUBAMDMLJLWWCD-UHFFFAOYSA-N 405.524 1.480 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(CC)c1 1696298710 JQYWQWGEEMYQNB-UHFFFAOYSA-N 408.466 1.614 30 10 HDEE CN(C)[C@]1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1696605374 MEBAOAXDIJOLEB-BXWFABGCSA-N 406.556 1.338 30 10 HDEE COc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)ccc1OCCO 1697272691 AKJQGEGXVFFIMA-MRXNPFEDSA-N 415.494 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1OC 1705501178 WWJOKSCJXJMTJM-HNNXBMFYSA-N 410.526 1.950 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1705550536 MMICTEJVSJXUFB-HXUWFJFHSA-N 413.503 1.056 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ncccc1F 1705574976 URZYFGJAXQBFIP-OAQYLSRUSA-N 413.453 1.616 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@@H]2CCOC2)CC1 1705649220 PMAHYPLLOYPZGX-QGZVFWFLSA-N 408.506 1.733 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705688640 WONAGPMZSVWKKN-INIZCTEOSA-N 411.304 1.564 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705752645 BWWQHNYCEKUAIV-CABCVRRESA-N 405.890 1.776 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1705906224 XJEHQSLHWQKRQX-UHFFFAOYSA-N 412.542 1.821 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C(C)C)C1 1705917737 ZCRLXWDPRAJNEO-IIDMSEBBSA-N 415.560 1.077 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2OCCC2(C)C)C1 1705929747 WXHLFDNMODNEAW-IRXDYDNUSA-N 403.527 1.997 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1706938405 KIJSAISCDOGTEA-CSODHUTKSA-N 410.478 1.058 30 10 HDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1707018042 BJLCKROHVPSHHG-KRWDZBQOSA-N 414.514 1.354 30 10 HDEE Cc1ccc([C@]2(O)CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)cc1 1707338979 BFMPYTDEMPKJMT-SQJPUDIVSA-N 422.489 1.519 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1709191572 GMYQYXYHIGRJCL-SFHVURJKSA-N 420.477 1.225 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722277326 LWNXJUXOGCANLJ-AWEZNQCLSA-N 420.473 1.962 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722349580 SNOSJEQZORFQSG-FQEVSTJZSA-N 424.549 1.966 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366670 IZXSOVWVNUBNIR-JWIGPWBQSA-N 424.592 1.474 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCn1ccnc1C 1722394865 JAOHBAKZRSIQOI-QFIPXVFZSA-N 410.522 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1722396698 IYIHTUSMRBGRFF-KRWDZBQOSA-N 414.506 1.906 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCN1C1CC1 1722427550 PCQSOSJMMJUCRA-IBGZPJMESA-N 414.554 1.503 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)(C(N)=O)C1 1722507773 GNMKOMFUKILHHC-LZNRXBQRSA-N 410.522 1.947 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1722649758 CPQYKLQJLGWAOR-HTXNQAPBSA-N 406.450 1.416 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1722672344 OIOKUYWZZSOSRU-INIZCTEOSA-N 409.556 1.980 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1722696314 IPTFBYQODLLHGL-KRWDZBQOSA-N 422.493 1.053 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1722696371 KPWFTKXSGQBXLD-UHFFFAOYSA-N 406.494 1.755 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCC(=O)NC 1722707557 SDLZKBGDLVNEGI-INIZCTEOSA-N 412.494 1.415 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCN(C(C)=O)CC2)C1 1722712542 UWPHRRZZJKFDAT-SFHVURJKSA-N 413.526 1.219 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)COCCO1 1724040041 KTTBRPYSRZUPIO-SFTDATJTSA-N 410.478 1.324 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1740536214 ASQAMMDFJDAORV-AWEZNQCLSA-N 415.494 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1740554180 XCWZPMHCTPTEND-HUUCEWRRSA-N 402.524 1.147 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1740554305 XLVFYHDOCSXPNA-ZFWWWQNUSA-N 409.537 1.179 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1740608270 DNLGKPMIGKSAHI-UHFFFAOYSA-N 419.367 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCN1CCc2sccc2C1 1740636744 BACJIFKKLKZCID-UHFFFAOYSA-N 403.515 1.928 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740717359 QGUSJSGCGLWORI-IKGGRYGDSA-N 424.592 1.694 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1740900523 ZRPDFXUHUPTDOC-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nnc(CC)s2)C1 1740977277 SYCPLHANVFNUJT-AWEZNQCLSA-N 400.512 1.922 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740996465 NIMRHLHRFLBESH-ILXRZTDVSA-N 417.601 1.669 30 10 HDEE CC(C)(C)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1741206322 NVJYRCOWMHOLCA-UHFFFAOYSA-N 411.510 1.948 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)cs1 1742577005 BADOFPUINXXFJT-INIZCTEOSA-N 413.429 1.457 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1748278308 IEPOCTPMDBDNHC-IPMKNSEASA-N 424.505 1.584 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1748640941 YWRKOVAQTGFEED-KGLIPLIRSA-N 415.523 1.465 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748716203 WCARQLABXWPWLY-SFHVURJKSA-N 402.543 1.232 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCCC1 1748779317 FZXUBQZKHKKHPR-KRWDZBQOSA-N 405.510 1.722 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748799494 UNXULBBUSQXPCA-QGZVFWFLSA-N 417.535 1.516 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1748891692 DJBQKZABVJHTGY-QZTJIDSGSA-N 403.552 1.127 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749132915 FUFQDHMABSLNRG-HKUYNNGSSA-N 418.542 1.396 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749199356 NISQDJBPZJSTTQ-SFHVURJKSA-N 413.526 1.695 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1749485352 RMCNZXAISWQPPI-NDEPHWFRSA-N 400.508 1.583 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749658713 VQAXBLZMLCJUDB-OAHLLOKOSA-N 423.926 1.524 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)CCC(=O)NC)cc1 1749684019 NONREKVRXNKYKL-UHFFFAOYSA-N 409.494 1.864 30 10 HDEE CC(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1750628784 XYDUXZOFOACVKS-UHFFFAOYSA-N 406.512 1.680 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1751602704 WYMCYNJRNUYWKG-DPHDRGAJSA-N 420.477 1.771 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760135884 MPIZBJORLXPCMD-LJQANCHMSA-N 409.538 1.820 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1760217645 ITMIPQXXFJOAMB-LJQANCHMSA-N 418.501 1.431 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)NC(C)(C)C 1760305738 PJAJFCKJGKQESD-UHFFFAOYSA-N 410.320 1.938 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760357006 BMBQCOVTDNMKNV-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760370232 KZQPOTBJSIYSPV-UHFFFAOYSA-N 414.897 1.625 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCc2cnn(C)n2)CC1 1760383427 PXYWGIMXPUSFOK-FQEVSTJZSA-N 401.515 1.848 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1760445709 SRKCSPSQHKXUFC-UHFFFAOYSA-N 413.544 1.022 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1)C1CC1 1760470919 HDTNPZIEVUKQAQ-UWJYYQICSA-N 405.543 1.806 30 10 HDEE C=CCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513141 LXLOZPUSNLILSI-OXQOHEQNSA-N 404.515 1.545 30 10 HDEE CC[C@]1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762455136 AUSLNLRRAIWEGI-DIYRITFWSA-N 414.510 1.935 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1764680284 JSFXQRSVEYNYKY-OAQYLSRUSA-N 423.477 1.326 30 10 HDEE CCc1nnc(N(C)CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1764739053 CLCQHTDCBJCWCS-VXPUYCOJSA-N 410.478 1.882 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)C[C@H]1O 1769452437 TXFNHLWNDCIQEC-SJLPKXTDSA-N 422.445 1.522 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCN(C(C)=O)C1 1770177895 VCGVOHKBEQLKOC-YSHGAJCASA-N 418.542 1.856 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCCCCO)CCO1 1770751360 HFEZSNFAXHPTIA-GOSISDBHSA-N 409.494 1.798 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1771268886 UHTWYQOUZMOMDD-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848894416 SFAAINGVAVUKRJ-PMACEKPBSA-N 403.438 1.656 30 10 HDEE CN1CCN([C@H](CNS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2)CC1 1848966972 PIUCZJONSKNMAE-HXUWFJFHSA-N 402.495 1.964 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1850041455 BJELVEVPWAHMMD-SFHVURJKSA-N 421.538 1.832 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CCOCC1 1850652240 ABDUBRSNVCLBCH-INIZCTEOSA-N 411.911 1.930 30 10 HDEE COc1ncc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c(C)c1Br 1851797685 HBEMWFCFVFOBPO-UHFFFAOYSA-N 417.267 1.785 30 10 HDEE CC1(C)[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC[C@]1(C)C(N)=O 1852748549 GGXFDFWRDSHKCZ-HTAPYJJXSA-N 413.522 1.546 30 10 HDEE C[C@@H](C(=O)N1CCCCC1)N(Cc1cnnn1C)C(=O)c1ccccc1OCC#N 1853590814 NQMWRKSAGQSFLC-INIZCTEOSA-N 410.478 1.761 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)C(=O)C2)C1 1853632930 PTHAAKNWPQOYEU-LJQANCHMSA-N 408.506 1.429 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)C(=O)C2)C1 1853741828 RFYFVDAKHNPLCI-AZUAARDMSA-N 410.518 1.279 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1 1853845823 MZFRNDCQSLAEOX-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3ccccc3Br)C2)CC1=O 1854195145 BHDIQDHJAHWTHG-HNNXBMFYSA-N 405.296 1.608 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCCC#N)[C@@H](C)C2=O)cc1 1854281503 NZLMPHWDPORVRY-KRWDZBQOSA-N 405.520 1.912 30 10 HDEE Cc1ccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1C#N 1854396676 HKTPXHHZHATKJF-QGZVFWFLSA-N 414.439 1.963 30 10 HDEE CC(=O)N1CCC[C@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1854452536 LWHUKGKGNRDPRV-QGZVFWFLSA-N 416.909 1.949 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1C#N 1855408024 JHXKJRJBMHVUSQ-LJQANCHMSA-N 407.449 1.964 30 10 HDEE COc1cc(C(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)ccn1 1856455649 KAMAEFXRCIURLW-SFHVURJKSA-N 405.458 1.978 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)C2=O)ccn1 1856470698 QYSIUSGNTQJJLW-RTBURBONSA-N 424.482 1.243 30 10 HDEE COC1CCN(C2CN([C@@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C3=O)C2)CC1 1856810201 NGUFHIIVQLQZQB-OAQYLSRUSA-N 410.518 1.413 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CCC(COc4cccc(C#N)n4)CC3)C2=O)no1 1856976001 ROPWTYMGSRCHGN-SFHVURJKSA-N 409.446 1.782 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CSc3ccccc3)C2=O)C1 1857108486 VAHKTZAWZBCDRT-SFHVURJKSA-N 408.483 1.936 30 10 HDEE Cc1ccc(Cl)c(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857143146 CXQBJQMJXOTHES-SFHVURJKSA-N 424.892 1.872 30 10 HDEE Cn1nnc(C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)c1C(F)F 1857157999 OCCYFUUGWXZFES-UHFFFAOYSA-N 402.405 1.888 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(C(C)=O)s2)C1)[C@H]1CCN(C)C1=O 1857263817 JIYLKANNRLXCQW-CABCVRRESA-N 403.504 1.658 30 10 HDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N(C)Cc3ccccc3)ncnc21 1873594772 BGMUVYUKWKYMJY-UHFFFAOYSA-N 409.490 1.992 30 10 HDEE COc1cc(Br)cc(/C=N/n2c(S)nnc2CNC(C)=O)c1O 1874560407 VYXOPHHAROOTHC-FZSIALSZSA-N 400.258 1.562 30 10 HDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NCCCN3CCOCC3)ncnc21 1875230288 SBAMCBNJIZBLQX-UHFFFAOYSA-N 416.526 1.206 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)cs1 1889640037 UIOBQIRXZHZVGB-HUUCEWRRSA-N 424.482 1.316 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Cn3cnc4ncccc4c3=O)C2)c1 1891318964 XFMJIMWLINRFQF-MRXNPFEDSA-N 404.430 1.376 30 10 HDEE CN1CCN(c2ncc(Br)cc2C#N)[C@H](CNC(=O)C(F)(F)F)C1 2054429616 ZVUINDSTPWWBTR-LLVKDONJSA-N 406.206 1.515 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)C1 2118163777 SSZGWUWIBLHZHO-GOSISDBHSA-N 418.519 1.954 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C)cc1C#N 2118166093 CAKJOISZALXSDT-VWLOTQADSA-N 402.498 1.573 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2140653968 JMXJXBVKNUQEGC-MELADBBJSA-N 404.558 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@H]1CC(F)F 2177301821 XIRCOZXVILERMP-QWHCGFSZSA-N 408.471 1.653 30 10 HDEE C[C@@H](NC(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2203126246 OAVLKSFLMOUHJJ-MNOVXSKESA-N 402.347 1.798 30 10 HDEE C[C@@H](NC(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2203126362 ODMHMTBIFHWFSW-NSHDSACASA-N 402.347 1.579 30 10 HDEE Cn1nc(Br)c(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)n1 2219790846 UIFIPMUNYQODQZ-SNVBAGLBSA-N 415.292 1.781 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243399557 NOAHELLXFJAIIH-UHFFFAOYSA-N 418.246 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243430486 RUDYHPUAHKIGIO-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE C[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2243701558 DXWBOVXEMOFFMC-CQSZACIVSA-N 407.320 1.335 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN1C(=O)OC(C)(C)C 2247910382 LZCDYKRQQQDVKJ-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C[C@H](NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2248053804 FODMKKCFOZJFFA-QWHCGFSZSA-N 420.319 1.807 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2255698055 MTIUSIMFDABZTO-ZHRRBRCNSA-N 423.326 1.119 30 10 HDEE CCN(CC(=O)OC)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282317114 MQJIFEXGELHPHK-UHFFFAOYSA-N 403.331 1.539 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)S(C)(=O)=O 2282317122 MTTIPMFZGWBQLN-JTQLQIEISA-N 423.387 1.067 30 10 HDEE CN(C)[C@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282328821 DAMOYDBSMKNHMD-XBXGTLAGSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CO)C2CCCC2)OC1(C)C 2282330140 VREYUPHSLBCGGM-AWEZNQCLSA-N 401.359 1.877 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1CO 2282331651 QENJKDQCPXJFOM-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE CC1(C)CNCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332099 WIWMAOAGLVYAKL-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)OC1(C)C 2282340670 IPNNUIFBALFBFE-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CC1(C)CC[C@H](CO)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496737 GTIJSLFOFYKCOB-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE COC[C@]1(F)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498585 GUMOTHWCPIYFMV-INIZCTEOSA-N 405.322 1.796 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H]1CCCC12OCCO2 2282499086 MZLOBATZZOPOSN-KRWDZBQOSA-N 423.340 1.868 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282500153 IHWXKKJCIANHCN-GXTWGEPZSA-N 400.375 1.404 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H]2C[C@H](F)C2)OC1(C)C 2282508709 AARVTHPXCVMMAV-HAQNSBGRSA-N 404.338 2.000 30 10 HDEE C[C@@H](O)CN(C[C@@H](C)O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282662939 INQZEOZZZWHEIG-GHMZBOCLSA-N 403.737 1.905 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CS(C)(=O)=O 2282829634 HWXGRXNXXYQTJH-JTQLQIEISA-N 423.387 1.067 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@]3(Cl)CC3(F)F)c2)OC1(C)C 2282834223 QPWWXZLTOGGLNY-CQSZACIVSA-N 408.663 1.676 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282835658 XRRAQOBLTYXXGA-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282838681 SNKVEJMKWMHWOZ-NWDGAFQWSA-N 402.347 1.381 30 10 HDEE CO[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CSC 2282842293 VZAUIPFVXZNPPV-CYBMUJFWSA-N 421.415 1.845 30 10 HDEE CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857391 HIKQHNYDIMXQCJ-ZIAGYGMSSA-N 401.359 1.971 30 10 HDEE COC(=O)[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877659 VEMFAZISFMOBIF-NSHDSACASA-N 401.315 1.231 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284397677 OUAKKCQIMIYKHO-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CC1(C)[C@H](C(=O)O)[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284398865 CSKXDDUUKYPNJQ-WDEREUQCSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@]2(C)CC(=O)O)OC1(C)C 2284415480 ONMQORPPKDSETK-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)Cc1ccccc1 2300217799 UHBLFXZQIKKMCU-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE Cn1cnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2315653240 IKJSAGQAJSQYJN-VXGBXAGGSA-N 413.320 1.627 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@@H](O)c1cc(I)nn1C 2363506793 FXWQJFGPHORRNW-TVQRCGJNSA-N 402.261 1.544 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2363598817 UUOYPNDGFUFVAW-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365202861 GNUDHLCCWDUEEE-ZRGWGRIASA-N 402.557 1.586 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2365211010 KGRNTHTWOIOGMV-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365248224 KZLZQGDOBAMZCU-KBPBESRZSA-N 405.513 1.976 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2365620145 CIJTUGBPOPKERZ-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN[C@@H](C#Cc1cnn(CCOC)c1)c1cc(I)sn1 2366089793 MMUNHAGPJMZSNN-NSHDSACASA-N 402.261 1.903 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CCN(C)C(=O)OC(C)(C)C 2367816272 HHXYYAOTHPMFDS-CVEARBPZSA-N 402.557 1.553 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367854670 AJSXQSFZUBNVEB-CRAIPNDOSA-N 401.525 1.827 30 10 HDEE O=C1CS/C(=N/N=C2\NC(=O)[C@@H](CC(=O)c3ccc4c(c3)CCCC4)S2)N1 39886360 YSAUVUZJQZSASG-CQSZACIVSA-N 402.501 1.860 30 10 HDEE CC[C@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)n1c(N)nnc1SCC#N 40173423 QNMQGPKUVMIBEK-CYBMUJFWSA-N 423.524 1.316 30 10 HDEE CCNC(=O)/N=C(/Nc1nc(C)cc(C)n1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101985220 TXAQMJXJKDPGFB-HZPDHXFCSA-N 409.494 1.872 30 10 HDEE Cc1ccc(Cn2c(NN=Cc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254438462 VAQJYVHCQJBCHT-UHFFFAOYSA-N 403.446 1.631 30 10 HDEE Cc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1F 254566681 JZZVYCZPXDJGGC-QWHCGFSZSA-N 400.453 1.600 30 10 HDEE COc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 254843346 NGLWBPGZSCMPHT-TZMCWYRMSA-N 412.489 1.552 30 10 HDEE COc1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(OC)cc1Br 444066864 VKKFIHQTUHKOBY-CQSZACIVSA-N 405.270 1.769 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC23CCC3)CC1 444788170 UCCGFLPPCUCKQU-UHFFFAOYSA-N 402.520 1.410 30 10 HDEE CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)c2)CC1 445140877 PKXBKKFSVWHKPJ-UHFFFAOYSA-N 411.506 1.441 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)s1 462582945 UULRSILSRNWYEP-UHFFFAOYSA-N 424.479 1.841 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)c1C#N 472187942 HDVPFYXOXWLCSS-UHFFFAOYSA-N 404.883 1.636 30 10 HDEE CCn1nccc1S(=O)(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 472593659 ZHUZCBWJAFUZRY-UHFFFAOYSA-N 413.507 1.762 30 10 HDEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 479900610 KHUXXTCBRVKXMD-KRWDZBQOSA-N 406.552 1.830 30 10 HDEE COC(=O)c1cc2c(cc1NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)OCO2 487012639 KCKMCIVZASBCEO-UHFFFAOYSA-N 409.402 1.823 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)ccc1F 488670779 SFMHGDVOSNFGPB-UHFFFAOYSA-N 417.418 1.573 30 10 HDEE COc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1OCc1cscn1 503640469 ASNCFHPXJJCAJQ-UHFFFAOYSA-N 400.460 1.929 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2coc(-c3ccc(F)cc3)n2)C1=O 513061683 OPHNYUVQVRNPDD-UHFFFAOYSA-N 400.366 1.116 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 514917876 QDHPUMFHDADWRW-AWEZNQCLSA-N 417.556 1.426 30 10 HDEE CC(C)CN1C[C@@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1=O 522867199 JZUQDYZFLJLUNW-DOTOQJQBSA-N 400.504 1.903 30 10 HDEE CCOC(=O)c1ccc(N2CC(NS(=O)(=O)c3ccc(F)c(C#N)c3)C2)nc1 544101000 FVGLJXHDTHAPRR-UHFFFAOYSA-N 404.423 1.436 30 10 HDEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549693246 JBRQFMKNCJDDTI-UHFFFAOYSA-N 411.535 1.927 30 10 HDEE COC[C@@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 557249399 BMXDRJJBSHUZJJ-WOJBJXKFSA-N 420.469 1.674 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 558992312 VGGSEKXGZVPFAX-UHFFFAOYSA-N 412.538 1.734 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCOC1 559214069 BUFCJDZMDVEQQX-LSDHHAIUSA-N 403.508 1.981 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@@H]1C 564381545 XMTXYVPPLIQEFB-WMLDXEAASA-N 403.508 1.878 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 581897156 PQYHPGDLOCLPCK-IRXDYDNUSA-N 404.515 1.524 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)cn1 608884202 AZHPJTAVUDKIQV-UHFFFAOYSA-N 418.478 1.084 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(F)c1 610402278 GYZBDJIJWQDIMC-UHFFFAOYSA-N 407.427 1.043 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C[C@@H]1CCN(S(C)(=O)=O)C1)NCCC 691252380 AXMTXLYFHOOFRT-YESZJQIVSA-N 401.573 1.943 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 714611872 VLVZOGOASYCMCX-LBPRGKRZSA-N 401.363 1.509 30 10 HDEE C#CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@H]1CCS(=O)(=O)C1 730214272 YSALNUPQYMQIHC-HNNXBMFYSA-N 422.304 1.897 30 10 HDEE N#C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(Br)cc1 733254561 YCFZISNPGMGHJC-CQSZACIVSA-N 421.276 1.628 30 10 HDEE C#CCN(C(=O)Cc1cc(Br)ccc1OC)[C@H]1CCS(=O)(=O)C1 742052364 NBMFOLFKCKQGBX-AWEZNQCLSA-N 400.294 1.649 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1)[C@H]1CCS(=O)(=O)C1 751362756 GBXZFNWABISSRN-AWEZNQCLSA-N 403.460 1.356 30 10 HDEE COC(=O)C1=C(COC(=O)c2cc(C#N)cn2C)N(C)C(=O)N[C@H]1c1ccccc1 751724957 RCWJOCJPELUIPC-SFHVURJKSA-N 408.414 1.877 30 10 HDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)s1 752193554 ISCYYAYFVQJGCP-CYBMUJFWSA-N 417.556 1.836 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C1CCCC1 756912199 ZBRAYWZCICKLDS-OAQYLSRUSA-N 411.502 1.375 30 10 HDEE Cc1ccn(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c(=O)c1C#N 758196422 ZGWVJRNYBYYMBK-UHFFFAOYSA-N 400.866 1.863 30 10 HDEE COCCc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 768343241 GIUBFTPNGAQFMM-LBPRGKRZSA-N 405.480 1.065 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 769228850 WOCXIJXRSSOCCE-MXTRNAPSSA-N 422.507 1.523 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(CC#N)ccn2)C1=O 771432816 ZXRGLZQVWBDUGA-NRFANRHFSA-N 407.430 1.870 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781663482 QTUJKYOYBMQWDC-ZDUSSCGKSA-N 409.511 1.682 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2C[C@@H](O)CC(F)(F)C2)c1 787403271 PWKPCSYKMPIHNP-HJIPDZNASA-N 416.450 1.733 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCN(CC)CC3)cc2)n1 790105948 JBSSTJJTMRPQBK-UHFFFAOYSA-N 409.534 1.947 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)nc1 797185875 WRDZEFPKTNNXBX-UHFFFAOYSA-N 417.418 1.806 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 797275816 OLROBPLDOPULLN-UHFFFAOYSA-N 411.436 1.723 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1C#N 804960115 MKWIITPQTKDVRE-NSHDSACASA-N 417.306 1.132 30 10 HDEE C#CCN(C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 807420739 NZEDGUWOXNLOMS-OAHLLOKOSA-N 400.447 1.954 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)F 808316278 GTTXOCYUPTYOJU-OLZOCXBDSA-N 410.487 1.899 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CC=C)CC1 809893304 MMTTWMILPQCKGJ-KRWDZBQOSA-N 416.526 1.528 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC=C 809924870 XCEGRZLSDLBDAF-UHFFFAOYSA-N 409.515 1.988 30 10 HDEE C[C@H](CC(=O)NCc1c2c(nn1C)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 812559444 QZWHTMAFCWJWBD-CYBMUJFWSA-N 415.519 1.432 30 10 HDEE CCn1c(CN/C(=N/C)NCCN2CCOCC2)nc2cc(Br)ccc21 849092850 JKQHXUZFYDTTMN-UHFFFAOYSA-N 423.359 1.816 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)C(=O)N2CCCC2)cc1 916869757 QLZZDQZANWRJQV-KRWDZBQOSA-N 407.492 1.427 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N2CCC[C@@H](C)C2)n[nH]1 1084017556 CAXLXCZHQWXFJG-GFCCVEGCSA-N 420.543 1.407 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2ccc(Br)cc2)C2CC2)C1=O 1129015920 MEBNSHNCKCFNAL-UHFFFAOYSA-N 406.236 1.921 30 10 HDEE CC(C)(C)OC(=O)NCCNS(=O)(=O)c1cccc(NC(=O)C#CC2CC2)c1 1142817602 ZAAOVWXHRUZWHQ-UHFFFAOYSA-N 407.492 1.842 30 10 HDEE Cc1c(C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cnn1CCC#N 1146979333 WAZNXQIYTMWBAO-UHFFFAOYSA-N 408.506 1.861 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)C1 1179979252 YHOZIWDMGNHNFQ-UHFFFAOYSA-N 404.875 1.985 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1185754442 VGJCYEKTIMMXOR-LSDHHAIUSA-N 422.569 1.391 30 10 HDEE C#CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)[C@H]1CCCc2ccccc21 1198105813 ZJPQUOKHSOPYCN-IBGZPJMESA-N 422.529 1.981 30 10 HDEE CC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CC#N)CC2)ccc1Br 1212341621 SMOTZXSFZKJIKP-UHFFFAOYSA-N 414.281 1.398 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1 1233851750 HYLPZGCFWYQETB-HIFRSBDPSA-N 407.471 1.372 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1 1248675979 JMMMXHVHHVIDSH-PBHICJAKSA-N 419.323 1.729 30 10 HDEE C=CCC[C@@H](CO)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1251325117 RSUZLOVJNMIVPC-GJZGRUSLSA-N 405.499 1.900 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 1265140506 SNMFDXZTSAAPLM-MJGOQNOKSA-N 401.507 1.904 30 10 HDEE Cc1cc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc(C)c1C#N 1265302731 PHSSBWQADJPTBR-UHFFFAOYSA-N 405.520 1.878 30 10 HDEE CC(C)C#CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1285028714 FZKLMQMNAQCELI-JBCKWKTNSA-N 400.519 1.582 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCCC1 1286278726 PZOASYLWYIDXMP-HOTGVXAUSA-N 412.556 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](F)COC 1286285668 ORQFKPXFFRSVJT-UONOGXRCSA-N 408.503 1.681 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@@H]1CCOC1 1286365687 GZVIITRBQDJSRZ-QGZVFWFLSA-N 418.519 1.614 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)CN1CCCC1 1286369099 CJKMVPIAMVXWPI-QGZVFWFLSA-N 419.533 1.993 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286372978 ILGLPDREUWOVTQ-VXPUYCOJSA-N 408.437 1.604 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CC[C@]3(CCOC3)O2)n1 1286469055 CNLKUAARDICXQA-TZIWHRDSSA-N 414.510 1.407 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1286479806 XTKPRUJQNNIPOD-NRFANRHFSA-N 408.550 1.211 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CC2)C1 1286805204 RCGPAAUSVFPQRU-HNNXBMFYSA-N 403.508 1.699 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(C#N)o1 1288782832 WLIBMUFMCXVXGT-NEPJUHHUSA-N 410.525 1.343 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccc(O)c3)CC2)c1 1290444484 DJOVDRAFIIPLNC-UHFFFAOYSA-N 417.462 1.787 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1290975718 CUOSQSNCSHLYCU-OAHLLOKOSA-N 423.477 1.326 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCn3cnc4c(N)ncnc43)CC2)c(Cl)c1 1297133006 FOGADKHOEQBVPF-UHFFFAOYSA-N 410.869 1.672 30 10 HDEE COC[C@@]1(C(=O)NCc2ccc(C#N)c(OC)c2)CN(C(=O)OC(C)(C)C)CCO1 1297520078 LMSUJBFHTUMSIP-OAQYLSRUSA-N 419.478 1.836 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1298754685 FOIQKPPOLIOGIG-GJZGRUSLSA-N 404.410 1.756 30 10 HDEE CC(C)(CC#N)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1299141753 ZFCCHZCDUBQHKQ-UHFFFAOYSA-N 409.508 1.962 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1300446173 ICLZAZZULLOIRX-GOSISDBHSA-N 424.910 1.226 30 10 HDEE C#CCN(C)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300474974 ADFHVDSGCBOHRL-YESZJQIVSA-N 419.526 1.908 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300489585 PMMVPRPVBDEKDB-ZWKOTPCHSA-N 402.520 1.997 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300492600 NSUATKSZNAQIGX-QGZVFWFLSA-N 402.524 1.437 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C(N)=O)nc1 1300606807 VREPGPKKXRSYAX-UHFFFAOYSA-N 405.418 1.855 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1OC 1300621025 JQFGPNVJVSBBFL-WMLDXEAASA-N 401.467 1.517 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccs2)CC1 1300685589 QRDGPEYIUGQLIQ-NRFANRHFSA-N 415.563 1.990 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)CC1 1300692786 MXKKBOZANPCJNJ-UHFFFAOYSA-N 424.530 1.149 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(F)(F)F)CC1 1300698547 UXNSTWYHAMMPGZ-UHFFFAOYSA-N 417.395 1.911 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300776140 FBHXBNBFBSTDEP-HNNXBMFYSA-N 419.555 1.756 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1300777740 BOUSZBPYTCBGSZ-FJIDUMEYSA-N 424.567 1.609 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300839242 FBIOTCGQLNVOEK-CQSZACIVSA-N 418.299 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OC)C1 1300886065 VSDGPLWTWHJMNY-QZWWFDLISA-N 410.540 1.387 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2COCCO2)C1 1301542632 DHOYJWRPUKWWGS-WFXMLNOXSA-N 422.526 1.515 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1303639806 GSMMVAWPFBJGOO-PBHICJAKSA-N 415.519 1.997 30 10 HDEE CCc1nc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cs1 1306040308 YQYHQIRXDNIVEN-INIZCTEOSA-N 412.523 1.936 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1307872268 LOYDATQFEUQRJR-LJQANCHMSA-N 419.547 1.059 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 1309505517 GUMPZMJOISHHHW-RUZDIDTESA-N 418.924 1.677 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1OC 1323411202 HYUVVTNXCNZIMF-MSVBSMQLSA-N 412.446 1.909 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1358927034 KYHHSCORWKOGNW-UHFFFAOYSA-N 411.510 1.518 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)c1ccccc1 1358976133 RNJYRQSXBRLYKO-UHFFFAOYSA-N 408.487 1.325 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1359000107 LTQPWAMOQBTELK-CQSZACIVSA-N 415.585 1.260 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359070773 UJZBGEZMIRYEOZ-KWEZKLGQSA-N 410.478 1.301 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359272218 NNYZTEKPAQXDEM-IGGDJGDASA-N 412.494 1.877 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359305970 RUPASWIYAJSRGA-FVJLSDCUSA-N 420.558 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC(C)(C)[C@H]1C 1359331769 HWZVVYHATQBYPV-CVEARBPZSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359331898 KCYQYOCGCPJLNO-MRXNPFEDSA-N 423.583 1.745 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOCC1CC1 1360683037 AXYKDUFXUHQWPP-GUYCJALGSA-N 414.507 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)Cc2ccc(OCC#N)cc2)C1 1438996422 HSQQZAVOYYBPNB-UHFFFAOYSA-N 414.462 1.079 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)c1 1447350518 XYRLZSFBEQJTBS-UHFFFAOYSA-N 402.476 1.967 30 10 HDEE CNC(=O)[C@]1(C)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1448616049 XSGFESLAMQTAJM-KZMFIGSESA-N 404.511 1.758 30 10 HDEE N#CCc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1 1452268262 STWNQUZAANTGMU-UHFFFAOYSA-N 419.528 1.890 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCO[C@@H](c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1460858016 JRAOQAJVQUEPSH-PWIZWCRZSA-N 419.547 1.746 30 10 HDEE C#C[C@H](NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCOCC1 1465804260 JJHGYDJSLKTLKX-DAYGRLMNSA-N 403.483 1.069 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1466719118 BSWDYHNRXASXQE-QRWLVFNGSA-N 412.450 1.838 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1468608046 PEVMZXYFXNMNIV-UHFFFAOYSA-N 421.457 1.267 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)cc1 1470337005 RNKKOPXVHRENAL-FQEVSTJZSA-N 406.504 1.935 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1492510619 XMPCBXYKIWTPDO-SFHVURJKSA-N 422.486 1.152 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1494280932 XBZUZRIRUNDAAJ-DMIMOZFVSA-N 423.477 1.480 30 10 HDEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1496661539 DETFPYOBJKINJS-IKGGRYGDSA-N 403.531 1.324 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1CCOC1 1503109707 UXCXVIMQIMXTPB-QGZVFWFLSA-N 411.510 1.834 30 10 HDEE COCCOCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505043715 GGFRFJVMXHUCMG-RTBURBONSA-N 418.542 1.749 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1Cc1cn(C2COC2)nn1 1507547915 YQSVOBUCHWVZMT-INIZCTEOSA-N 407.478 1.835 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1507618967 FGDMOPPRICYABY-AWEZNQCLSA-N 400.487 1.596 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507632411 KTWMXVBOCIYATG-JKSUJKDBSA-N 420.560 1.713 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1507710757 KLCVNOKTBOIGSF-CABCVRRESA-N 423.564 1.526 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCCCC2)CC1 1507716930 WLXPGVFQOJMKMY-UHFFFAOYSA-N 416.570 1.647 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(C)(C)O)CC1 1507738903 HNSQOHFXAXMCRK-KRWDZBQOSA-N 403.527 1.647 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOCCCO 1507760612 BLKLCHAFUJBAJS-NHCUHLMSSA-N 406.527 1.710 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CC(N)=O 1508137412 NAHUXOPKQVLJMH-ZDUSSCGKSA-N 409.487 1.385 30 10 HDEE C[C@H](C(=O)NCc1cc(C#N)ccc1F)N1CCN(C(=O)OC(C)(C)C)CC1=O 1530895935 DIGCGNMICARUEV-CYBMUJFWSA-N 404.442 1.781 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)NC[C@@H]2c2ccccc2)cc1 1535916017 AYXNCIMOUQQZTG-GOSISDBHSA-N 412.471 1.192 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c1 1536361493 SLRZZDQSSMHJFL-QGZVFWFLSA-N 417.512 1.872 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1538964164 IFZGBBRGZIAQRX-AWEZNQCLSA-N 418.448 1.986 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539220437 SHDMMYKNRQOIDP-KBXCAEBGSA-N 408.549 1.436 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1539359649 MXMVLFVQHFAWAD-UHFFFAOYSA-N 403.508 1.449 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2nccnc2C)CC1 1539482724 OSFUNFHHOGHUSW-UHFFFAOYSA-N 409.538 1.784 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(CO)CC1 1540864257 UGHHNWIHMWKLDJ-UHFFFAOYSA-N 421.505 1.846 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1540871042 BYPPSGGGJUSZBB-CVEARBPZSA-N 413.478 1.360 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCSC[C@H]1S(C)(=O)=O 1544036257 RZCLEJOUFBGAAF-UONOGXRCSA-N 419.569 1.910 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOCC2CC2)C1 1554356931 WRWZSBVPINOEOF-JOCHJYFZSA-N 410.522 1.746 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1555807840 GOGSRUHQFOVQLS-WBVHZDCISA-N 401.492 1.762 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)C1 1555986118 ZBGNMGHKQLDRDQ-GOSISDBHSA-N 403.849 1.962 30 10 HDEE C[C@H](CC(=O)NCc1ccc(C#N)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1557028056 HJYPTNRJCADAQH-GFCCVEGCSA-N 400.435 1.831 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 1557095564 QFWZLBQZSQGNPH-IBGZPJMESA-N 408.458 1.860 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNc2ncnc3sccc23)c1 1557240701 VAQPZAJHZYVNNA-UHFFFAOYSA-N 419.463 1.970 30 10 HDEE CC(C)(NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(C#N)c1 1557469120 YNFXRXAZPZGKGF-KRWDZBQOSA-N 421.906 1.902 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)C1=O 1557784904 CZGBIUPAQFLXBT-ZRZAMGCNSA-N 424.501 1.334 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)c2cnc(I)c(O)c2)C1 1558940052 CKWXQZDMUUNOHI-SNVBAGLBSA-N 400.220 1.357 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1560068877 HXJXULKZAHWGFB-IRXDYDNUSA-N 418.567 1.240 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C[C@H]1C(F)(F)F 1560120133 JZXXRQJTXITWLH-BZUAXINKSA-N 418.460 1.352 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]([C@@H]2CCCO2)C1 1560165796 WAVZHMUALDQZDI-NEWSRXKRSA-N 406.504 1.765 30 10 HDEE CCCCn1c(N)c(N(CC)C(=O)CN(C)Cc2cc(C#N)cs2)c(O)nc1=O 1560181124 LWKXLRAGSNMTOE-UHFFFAOYSA-N 418.523 1.749 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1584315384 WRHYLWHRIGDNKF-GJZGRUSLSA-N 416.540 1.508 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccsc3C#N)ncnc1-2 1585375448 PVAGIRWWQUFOCN-UHFFFAOYSA-N 406.269 1.274 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCO1 1585431749 KCLDECXKMFONHJ-VHNWJRSRSA-N 403.504 1.840 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(NC(C)=O)CC1 1587702151 OYIFDDWGTAOLPI-UHFFFAOYSA-N 409.494 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(N(C)C)CCOCC1 1587978898 CBUGCOFEUDKZJX-UHFFFAOYSA-N 421.505 1.774 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC1OCCO1)C(=O)OC 1587981725 RJLACKATEKWZKH-CHWSQXEVSA-N 420.890 1.833 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCCN1C1CC1)[C@H]1CCS(=O)(=O)C1 1588059780 UWVSYQFRBOBJBP-ROUUACIJSA-N 405.568 1.484 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC1 1588078195 CMLGQFMTYXGNJI-UHFFFAOYSA-N 412.538 1.134 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@H]1C(C)C 1588672981 JOCKOJZXKUCXJX-RXVVDRJESA-N 417.554 1.938 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C)C1 1588975921 NFJJNAPQODVARR-HUUCEWRRSA-N 400.508 1.905 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@@H]1CC(=O)N(CCOC)C1 1589259276 KEYUFRYZHCJFHC-CBGDNZLLSA-N 401.511 1.617 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1589557830 JHEUEPSVCVNGKX-BLIXFSHQSA-N 410.522 1.912 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1593630787 OJUTZFYDFAOZEU-SFHVURJKSA-N 403.527 1.823 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1594733490 UKXVHSDZVYWJKW-CVEARBPZSA-N 409.556 1.641 30 10 HDEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1594824288 FJCHAPBRNMXULV-UHFFFAOYSA-N 424.498 1.824 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1594867502 MWCCJZHYMSRQTI-LJQANCHMSA-N 412.556 1.766 30 10 HDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1595664478 FISIYMAMNJFLLM-GOSISDBHSA-N 422.489 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1CSC 1595798443 PNBRTXVGVVITBZ-CABCVRRESA-N 400.570 1.715 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1596783606 OSBTWFCHARSFLZ-CYBMUJFWSA-N 400.460 1.248 30 10 HDEE C#CCOCCN(C)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1608104838 WEEBKHWLIPAZLA-UHFFFAOYSA-N 401.467 1.518 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1615842606 GWTDTDRDWWPUFL-ICSRJNTNSA-N 424.553 1.019 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCOC1 1617734119 BUPOBAINFFKDJU-WOJBJXKFSA-N 410.522 1.889 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 1617735493 PJCJTZYPJTYNER-NVXWUHKLSA-N 401.492 1.477 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 1618807937 TZVPOERRBDBCRY-UHFFFAOYSA-N 402.520 1.884 30 10 HDEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1618965097 NPOPENGZONBZIS-MLGOLLRUSA-N 418.395 1.810 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1619989371 FPQYUCIKPKMMIV-VQIMIIECSA-N 410.494 1.166 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1620099396 BOZYKUPALZHKMW-OGNFBWPZSA-N 422.505 1.165 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 1627650429 DIHXRHKBOBGYJV-ICSRJNTNSA-N 411.506 1.977 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1628507263 CGVFUXVIDUKUKU-GFCCVEGCSA-N 415.309 1.394 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(C)C)CC1 1629091822 IJNRAOHLWBUCII-CQSZACIVSA-N 402.923 1.255 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1635415961 WHRGBZKIBGXUMS-ULYRPOKDSA-N 424.505 1.857 30 10 HDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)NCC)cc1)C(=O)OC(C)(C)C 1635542194 YFYGTFAKQIAJTH-UHFFFAOYSA-N 409.508 1.471 30 10 HDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)NCCc1ccccc1 1635594962 PJHCARCCWNCKNO-AWEZNQCLSA-N 417.462 1.600 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCC(O)CC3)C2)C1 1635689047 XQJRGVJGLPHWFA-ZGOJQLDESA-N 406.527 1.346 30 10 HDEE C[C@@H]1CN(CCO)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1637895476 TYJHFCULKCPYFK-CYBMUJFWSA-N 407.312 1.282 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1638905752 BPQWKGFWWIMYCM-IRXDYDNUSA-N 405.524 1.418 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)cc1 1639045352 GXDVIOGSXCHINE-UHFFFAOYSA-N 418.475 1.389 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)C1=O 1639595030 ZQPBBACEXFPXPC-INIZCTEOSA-N 405.499 1.657 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nc(C#N)cs1 1639619034 JMQVHSYTDHURKV-CQSZACIVSA-N 410.546 1.731 30 10 HDEE Cc1cc2c(NC(=O)CN(C)C3=NS(=O)(=O)c4ccccc43)n[nH]c2cc1C#N 1639798592 BFEYRNOEBXOYRC-UHFFFAOYSA-N 408.443 1.762 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)C1=O 1639890446 ONYWIGWNIXOAJP-BTYIYWSLSA-N 424.542 1.962 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 1640439280 GCLSOLDLORZBLN-UHFFFAOYSA-N 410.547 1.876 30 10 HDEE C#CCOc1ccc(CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1 1640953080 CQONNBRYMPDYME-IBGZPJMESA-N 417.506 1.980 30 10 HDEE CN1C(=O)Cc2cc(C(=O)Cn3cc(C#N)c(I)n3)ccc21 1641225946 FPLXJSMUXMOLSD-UHFFFAOYSA-N 406.183 1.761 30 10 HDEE COC(=O)c1ccc(N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c(C#N)n1 1642976796 IFLIPNKNTNQNPU-GOSISDBHSA-N 401.444 1.721 30 10 HDEE C#C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1643854479 NPHMTTDKAFAJDO-AWEZNQCLSA-N 408.480 1.565 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1645291863 FHNZAHYWXPDEQT-UHFFFAOYSA-N 401.448 1.132 30 10 HDEE C#CCO[C@@H](C)C(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645523571 ZEAPNASFRUAXLQ-SJORKVTESA-N 409.527 1.731 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)Cc3cccc(OCC#N)c3)CC2)C1 1647987484 AEQCKWVTTDSRPI-UHFFFAOYSA-N 414.506 1.895 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@](C)(CO)Cc2ccc(Br)cc2)CC1 1648467021 UOWUQTHAFAMNNW-LJQANCHMSA-N 408.340 1.110 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(F)c2Br)CC1 1661608644 ISDPIAHAPMXKGG-UHFFFAOYSA-N 417.300 1.879 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1672952633 XCWZUOPVEVMFFS-UHFFFAOYSA-N 410.449 1.968 30 10 HDEE CCOC(=O)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 1679053061 GGGALXSCVBQZOR-SRVKXCTJSA-N 422.404 1.929 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1682022311 XXJBGUINAJOOPK-HXUWFJFHSA-N 420.469 1.874 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 1683675567 CDWZVPGXWKVGQG-GOSISDBHSA-N 408.483 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1686403088 OJNCBPHMRCNSQM-CVEARBPZSA-N 407.515 1.695 30 10 HDEE C#CCC1(NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CCOCC1 1687388618 KSIYLDWCADJHFS-MRXNPFEDSA-N 407.511 1.581 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC(=O)NC)CC1 1689907883 OXPRSKHAUKGUKT-UHFFFAOYSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCC)CC1 1689913376 NEYRGCJRNMGCET-HNNXBMFYSA-N 424.571 1.044 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1689997098 VUUJYGGNKVRMPO-SFHVURJKSA-N 416.551 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1689998517 OGFKWVDGBZLMDI-UHFFFAOYSA-N 422.489 1.308 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1690061123 RILIGRJDWDDPHI-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC1CC1 1690098757 ULRYRFLKYZUWHE-UHFFFAOYSA-N 411.462 1.286 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)N(C)C2CC2)CC1 1690110285 FTCHSSBTUMWLSS-QGZVFWFLSA-N 415.586 1.434 30 10 HDEE C=C(Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1690325641 DEPWSFHLBMWBIE-PGRDOPGGSA-N 411.506 1.955 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)CC1 1690380320 KFZUUKXAYPMLIP-UHFFFAOYSA-N 405.524 1.825 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1690412009 ZYUHBZYKHAHGNU-INIZCTEOSA-N 405.528 1.264 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC)C1CC1 1690545679 WPHOIIRQIXOFGN-HNNXBMFYSA-N 403.508 1.787 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690660643 LXKZHGQCMZFOFI-ROUUACIJSA-N 423.521 1.336 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690665887 SKJSTCTWMAPRIM-OAQYLSRUSA-N 410.478 1.115 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1694746185 RZFKUIQEDLGCPQ-QFIPXVFZSA-N 407.522 1.513 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696378288 MNQYFGWVQNYDQR-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN(C)C 1698254219 ITASFYQEODWNCN-ULQDDVLXSA-N 406.531 1.319 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1705504254 QZBOSGCURAIGID-WCIQWLHISA-N 419.570 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CCC(C)C 1705599200 WHVRROSEZLYEPL-RXVVDRJESA-N 420.579 1.830 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1705616535 BRBJWYFCUFTSGY-VXPUYCOJSA-N 422.493 1.126 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)ccc1OC 1705626524 ZGJGNNGPQZCFDD-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)CCC)CC1 1705641215 WULTVJOYHLXQRJ-HXUWFJFHSA-N 402.568 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)NCC)c2)CC1 1705643701 PKWSKVMPXSJYJF-HXUWFJFHSA-N 422.533 1.683 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCOC[C@H]2C)CC1 1705644443 QVMFSMZXQWVLLB-ZWKOTPCHSA-N 416.570 1.478 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N(C)C 1705670847 LGULWBWJFBONGU-OAQYLSRUSA-N 419.493 1.391 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1705816468 HQLIZSGBDXCFBU-AWEZNQCLSA-N 417.539 1.516 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705892504 LAFXIZYAYPXYRB-UHFFFAOYSA-N 414.432 1.481 30 10 HDEE C=CCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1705893934 WENADBQVFCPZAW-HXUWFJFHSA-N 404.515 1.454 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1705905254 PAOFMEDCHGQIPL-ZDUSSCGKSA-N 418.448 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)CCC)CC1 1705934267 HDVZZCCPJYPYDY-UHFFFAOYSA-N 409.556 1.641 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1706076157 YMFLCUAHBAQJAE-HZPDHXFCSA-N 417.539 1.673 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccn2)CCOC1 1706679240 IXOPXUDSTWXVLW-RXVVDRJESA-N 412.494 1.685 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1NC(=O)CC1(C)C 1709142233 UYCIJMKSLPVZPZ-GDBMZVCRSA-N 423.525 1.132 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1712695909 LCIDWCISKVFXJZ-OAHLLOKOSA-N 404.496 1.284 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722569359 XQCGLZJNYFMRHS-QGZVFWFLSA-N 416.526 1.052 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1722620709 QUUKYJLZGVHKCD-INIZCTEOSA-N 402.503 1.442 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C)[C@@H]1C 1722728430 WDTQJXBKTHQDIO-IHRRRGAJSA-N 413.569 1.160 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1723779103 GWSMUDPEMZGZSR-VWKPWSFCSA-N 409.494 1.795 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(O)CCC1 1730325433 GIBSFXWQAGUPQZ-INIZCTEOSA-N 413.478 1.900 30 10 HDEE C#CCC1(C(=O)N(C)C[C@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCCC1 1739071305 BYBHQYGKEVAJAV-NADOGSGZSA-N 402.535 1.661 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740579798 UFYWUZNWLITXDS-SCTDSRPQSA-N 401.511 1.617 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740580203 ZVBSVLDIXINYHV-IBGZPJMESA-N 415.586 1.434 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740624511 JKURTXOIINNEDD-ROUUACIJSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740634832 GKOMFHNUEFRQHF-LJQANCHMSA-N 416.460 1.896 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC(=O)N1 1740647643 SWAVEBCSKKFFSV-QGZVFWFLSA-N 407.474 1.704 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)c(O)c2)CC1 1740689224 SDRGTRPHDKILSL-UHFFFAOYSA-N 424.505 1.032 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=C)Cl)CC1 1740700718 FSIZDNFOKBARKN-UHFFFAOYSA-N 404.902 1.232 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC(=O)N1 1740770094 GBLQCGAULZUVSE-MRXNPFEDSA-N 407.482 1.602 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1740864657 COZAUFOEDQTZEL-KRWDZBQOSA-N 400.527 1.958 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740946284 GOQBUKFXHSRVQY-FGTMMUONSA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1740961002 IXRFIJHWQKTGCT-QGZVFWFLSA-N 418.586 1.858 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1740962203 VSKNWLQUYMUBLY-UHFFFAOYSA-N 423.521 1.015 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)N2CCOCC2)C1 1740974467 FUHQXGKDGNWWEH-QGZVFWFLSA-N 415.494 1.877 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCC(C#N)CC2)n1CCS(C)(=O)=O 1741245985 CVZMYPMINWKGNH-HZPDHXFCSA-N 409.556 1.981 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)N(C)C 1741839301 FBASCRBAJAYMFQ-QGZVFWFLSA-N 417.521 1.883 30 10 HDEE CCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1745417799 ORALDGMYZZXZHO-MRXNPFEDSA-N 422.511 1.360 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748908211 VXZAXPLCRYFPIR-FGZHOGPDSA-N 415.538 1.789 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1748934576 AWNPXCLMPBGGMF-KRWDZBQOSA-N 411.510 1.261 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CSCCS2)CC1 1748971218 IEIYUXCISGTCPZ-HNNXBMFYSA-N 408.597 1.020 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cnn(CC)c2)CC1 1748984004 FIABJOAWMIQWTF-UHFFFAOYSA-N 405.506 1.974 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NC2CCCCC2)CC1 1748993033 NQMMJCOZOHAUAC-UHFFFAOYSA-N 421.549 1.468 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1749487431 DIMHHNOHZVZSLN-ZDUSSCGKSA-N 409.537 1.294 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)N(C)C 1751128358 AQOFBGDPQCIUCI-HNAYVOBHSA-N 422.537 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760113051 PJEKXMCULBUQRZ-IPMKNSEASA-N 416.570 1.573 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](C)CC 1760155274 UUFRPROLQLZTMR-IRXDYDNUSA-N 411.572 1.897 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1760185777 DGQTXVUGIVFFTM-MRXNPFEDSA-N 421.523 1.286 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1760188317 JOTSTLUYSQOTIJ-INIZCTEOSA-N 422.580 1.449 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190221 YUBXAANFEIDJMV-SJLPKXTDSA-N 418.494 1.596 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)CCCO2 1760192867 OTUAAIFMAUNJPZ-UHFFFAOYSA-N 403.486 1.960 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCc2ccccc2C1 1760193088 SSINNGXJRCMSDQ-IBGZPJMESA-N 418.545 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1760198892 LGGQBVHPMWWUKF-UHFFFAOYSA-N 410.474 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(C)(=O)=O 1760200421 HTFMWNRPTZXNTH-UHFFFAOYSA-N 408.487 1.248 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCOCC1 1760221126 KRVWIQCQTMYDEZ-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1760221248 OYTORNWIFFQCIE-UHFFFAOYSA-N 411.531 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nncn2CC)C1 1760535693 VNVUZBCSGMNGMZ-HNNXBMFYSA-N 423.481 1.366 30 10 HDEE CC[C@H](C)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763832845 UZHOALIJUFFZJX-UAOYGIDGSA-N 418.498 1.168 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765914658 ZTBXWZKIBDUITD-XOBRGWDASA-N 414.466 1.110 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1766386062 KMYURRQORKIHKS-RTWAWAEBSA-N 418.542 1.927 30 10 HDEE CN(C)C1(Cn2c(-c3cnccn3)nnc2N2CCC[C@](C)(C#N)C2)CCOCC1 1766900256 BXIWZUNFIIRYTR-HXUWFJFHSA-N 410.526 1.976 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@@H]1C 1767944747 AXIYOVMUXILVGG-AWEZNQCLSA-N 421.465 1.270 30 10 HDEE CO[C@](C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1767991196 AUWMLQKQACCPRF-FSPWUOQZSA-N 411.503 1.437 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CCO1 1770746539 BCPZDZGNPDQWEV-MLGOLLRUSA-N 402.405 1.479 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1 1771357818 CFIIDBNGNDJSLC-UHFFFAOYSA-N 418.523 1.531 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCN(CCC#N)CC1 1850845086 KIDMZHJQNXHJNW-GFCCVEGCSA-N 402.879 1.204 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1ON2CCCC#N 1851502120 PEJUKVNNTNTCIL-MSOLQXFVSA-N 409.442 1.793 30 10 HDEE COc1c(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)nnn1Cc1ccc(C)cc1 1851511291 NAHILESTRSHARC-QGZVFWFLSA-N 420.429 1.887 30 10 HDEE CN1CCN(C(=O)[C@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851735029 HUISXUVQTFCNBC-FQEVSTJZSA-N 412.515 1.222 30 10 HDEE Cn1nc(OCC(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c2ccccc21 1851834880 YRONAOBWRZZCRE-UHFFFAOYSA-N 404.370 1.823 30 10 HDEE C[C@@H](C(=O)NCC#CCN1CCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1852277053 UMLXONULDIZTEA-ZDUSSCGKSA-N 403.426 1.478 30 10 HDEE C=CCCN(C)C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1852817056 RNAGWRFDZWYCIX-INIZCTEOSA-N 416.521 1.042 30 10 HDEE Cn1nc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c2c1CCC2 1853316115 FZVVIPCICTUPQF-SFHVURJKSA-N 410.474 1.717 30 10 HDEE C=CCN(C(=O)c1cnc(N2CCOCC2)nc1COC)C1CC[N+](C)(CC)CC1 1853484791 CJIMSTKNTRSVGQ-UHFFFAOYSA-N 418.562 1.717 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@H]4CCCCO4)C3=O)CC2)CC1 1853730301 MCJPLZQMUGIVIC-RBUKOAKNSA-N 416.522 1.157 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2=O)cc1 1853940956 ACQZSYJVJRVBJQ-UHFFFAOYSA-N 415.446 1.441 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccc3c(c2)OCO3)C1=O 1854131843 SOZFEAFLFCJAQZ-IRXDYDNUSA-N 413.474 1.655 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854415431 BHTFBNRXWQMLPI-UHFFFAOYSA-N 404.492 1.539 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)[C@H]4CCOC4)C3=O)CC2)n1 1854440242 WGORMOYKRPFRJW-PKOBYXMFSA-N 412.490 1.598 30 10 HDEE CCn1nccc1C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854957424 JOOVTSKDQGTGJR-KRWDZBQOSA-N 408.462 1.454 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)C1 1855019570 ROMXMXQXMITQGQ-WMLDXEAASA-N 400.454 1.515 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C1=O)CC2 1855022489 BKVLMWDTMGSMLT-DOTOQJQBSA-N 412.469 1.195 30 10 HDEE COc1ccc(CCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c(OC)c1 1855029469 UDLYCQMQMIVEPW-SFHVURJKSA-N 414.506 1.295 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1855042480 ZGWLICJQQRLPSL-JKSUJKDBSA-N 402.520 1.553 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3cc(-n4cccc4)ncn3)CC2)CCC1=O 1855247816 JNOBVLNWEIPBRU-QGZVFWFLSA-N 407.478 1.068 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1=O 1855452812 QKAYTKAYACARMQ-AWEZNQCLSA-N 416.503 1.340 30 10 HDEE Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@@H](CN2CCC(C#N)CC2)CC1=O 1855861332 CKAAXIIQRAIDBJ-GOSISDBHSA-N 408.506 1.889 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4cocn4)CC3)CC2=O)CC1=O 1856055662 IOVIMOAVXRBWOP-DLBZAZTESA-N 400.479 1.296 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)Cc3ccccc3)C2=O)CC1 1856127875 HHOLHJHZMARVQI-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H](F)C3CCCC3)C(=O)O2)CC1 1856672281 SVPVMWFNRPYBKY-CABCVRRESA-N 401.460 1.427 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccc(OC(C)C)n2)C1=O 1856757605 XWPHURFWPKJMSQ-MSOLQXFVSA-N 414.506 1.719 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(N3CCOCC3)nn2)C(=O)C1(C)C 1856775543 ZJTNMYHLDLKMSR-HNNXBMFYSA-N 400.483 1.068 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)Cn4cccc4)C3=O)CC2)c1 1857013575 BVSSWIJWEJTLOT-LJQANCHMSA-N 407.474 1.673 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@@H]1CCN(C)C1=O 1857261250 CMUHHQCOGVYQMI-NVXWUHKLSA-N 400.479 1.188 30 10 HDEE COc1ccc(N2CCN(C=O)CC2)cc1NS(=O)(=O)c1ccccc1C#N 1858038162 QOZORNGBRKLUGE-UHFFFAOYSA-N 400.460 1.646 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)NCCN2CCOCC2)c2ccccn12 1858242963 JQMJOXCWGMNNTA-UHFFFAOYSA-N 418.457 1.520 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861183786 GRYSTZILXJCOEJ-GOSISDBHSA-N 404.486 1.090 30 10 HDEE Cc1cc(C(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)nn1-c1ccccc1F 1867172750 HXSVGPCXUXVCPD-SFHVURJKSA-N 407.405 1.921 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)CC1=O 1874338680 UZQBXEIUTCMVMY-NXSNIQIJSA-N 402.480 1.168 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889544685 ARXRGQRMDYKPTK-UHFFFAOYSA-N 419.591 1.724 30 10 HDEE CN(C)CC#CC1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 1890154502 DGBMJZZGTULPLP-UHFFFAOYSA-N 401.532 1.488 30 10 HDEE N#Cc1cccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074667315 NLFIINMWZQSNRI-KRWDZBQOSA-N 402.428 1.853 30 10 HDEE CO[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2090632138 SCEVAVZMMPFXIQ-INIZCTEOSA-N 423.491 1.190 30 10 HDEE C#CCN(C(=O)[C@@H](CSCC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2123549339 BWDVQWMKCMUOQY-UONOGXRCSA-N 404.554 1.282 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1C(F)F 2174788082 ASWCHKBVIVGZLK-JQWIXIFHSA-N 402.423 1.732 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])C1 2192680102 WTXQWXIMBGCPDR-NEPJUHHUSA-N 416.481 1.972 30 10 HDEE Cc1sc(CNC(=O)[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2237716138 IXMHHVDXFAONQL-GFCCVEGCSA-N 401.359 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245257525 BYUBADAEMYWSRX-MFUYTVRRSA-N 410.320 1.910 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827712 IRGGHHISKFJNFK-CYBMUJFWSA-N 420.319 1.696 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247910316 KUUZHKFZFDLBOS-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2248041357 VGNIUDSTSRYOGD-UHFFFAOYSA-N 421.347 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CCO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282307876 JNNGGTAMMFGQLC-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](CN)C1CC1 2282315307 MFOQEVZSKLHUNG-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE CC[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282345823 RIRIGEZIZGXUNO-ZIAGYGMSSA-N 400.375 1.856 30 10 HDEE C[C@@H]1OCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282495463 MUSURPLPSVYMJB-OLZOCXBDSA-N 401.359 1.986 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](CN)C[C@H]1C 2282834482 VCVIIZKYQLCVRY-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@@H](O)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282839247 AWRJVEDYVUEVPG-VXGBXAGGSA-N 401.359 1.793 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@]1(C)CN 2282851170 YMLSGCUUFHGWON-PXAZEXFGSA-N 400.375 1.653 30 10 HDEE CON(C1CCNCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853305 AVVFGEFIHMKMFU-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE CCSC[C@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870097 MQYCASDXIAYITN-NSHDSACASA-N 403.379 1.448 30 10 HDEE COc1ccc(C#C[C@H](N)[C@@H](O)c2ncc(I)s2)cn1 2295783625 IELWLNKYYXYELP-JOYOIKCWSA-N 401.229 1.564 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](CCO)COCc3ccccc3)[nH]n2)OC1(C)C 2303621929 GYLKHOMBXHORON-INIZCTEOSA-N 415.299 1.407 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccnc2)CC1=O 2327841637 XAUZFUCJIXONJR-CYBMUJFWSA-N 401.496 1.247 30 10 HDEE N#CCN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2338903029 AUPWCSRGFROECN-UHFFFAOYSA-N 418.519 1.314 30 10 HDEE C#CC1CC(NC(=O)c2c(Br)c(Br)nn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c1sc2c(c1C#N)CCC2)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 28139988 APCOFGCIRQHTSP-KBPBESRZSA-N 415.563 1.720 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)o1 59879160 JNDNYLBZHLZJFO-FBCYGCLPSA-N 416.467 1.871 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3OC)n2)o1 59880501 QMVOFRWJSGGYMB-UFWORHAWSA-N 416.467 1.613 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1 238848247 IVMGDDFKVQPJDR-VQIMIIECSA-N 406.442 1.995 30 10 HDEE C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409698176 CLWIVELMYYOJSH-CHWSQXEVSA-N 412.479 1.728 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 430012049 OYYGPIJCHCBUAY-GUXCAODWSA-N 408.520 1.950 30 10 HDEE C[C@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)sc2C1 434772305 DCGULQWXYOIRTO-ZDUSSCGKSA-N 410.503 1.822 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cnc3c(cnn3-c3ccncc3)c2=O)c1 435883014 HVWFNLFWAHFSKQ-UHFFFAOYSA-N 406.427 1.323 30 10 HDEE N#CC1CCC(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 440983743 BYTDQBXKFXIFEB-UHFFFAOYSA-N 405.524 1.496 30 10 HDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 441982819 RPEXFEUMQDSOAF-UHFFFAOYSA-N 422.367 1.551 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 461161562 SADLTPMGULFFAS-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 471657203 GKSPRBOZAIOWNV-UHFFFAOYSA-N 400.460 1.246 30 10 HDEE COc1ccc(Br)cc1S(=O)(=O)NCC1CCN(CC#N)CC1 472758238 XMTFJMFUDZDMKY-UHFFFAOYSA-N 402.314 1.972 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(Br)cn2)CC1 475248749 SUXLFEYKVJGDDO-ZDUSSCGKSA-N 410.316 1.535 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 481780478 OAYDUXFNSCRVMB-SJLPKXTDSA-N 404.536 1.702 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C#N 489007163 HPGREZCIKMYOTA-UHFFFAOYSA-N 417.466 1.346 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2OC)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 504262254 YYPVANGPPPMEJQ-YXTQBTIXSA-N 409.442 1.433 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 505165786 MZWGRIHGDIOMRU-QGZVFWFLSA-N 410.405 1.956 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)CCCC(=O)Nc1ccccc1C#N 506669983 OJGXPFAFQPLWIX-WBVHZDCISA-N 406.508 1.501 30 10 HDEE CC(C)CN(C(=O)CN1CCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 507308506 ZOSSFHVEKBZODS-LJQANCHMSA-N 418.563 1.352 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 509012158 PAMHOEFXRHNFHA-KRWDZBQOSA-N 421.523 1.442 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 524856225 CABDCQKYGACKHD-UHFFFAOYSA-N 413.522 1.668 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 537301566 HJUDDXLXNRJOMQ-CYBMUJFWSA-N 419.511 1.446 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 540531760 KFENTDLUOKPLQS-XKGZKEIXSA-N 406.504 1.814 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@@H]2CCO)CC1 540548321 DWOZETXFCAIAIQ-OALUTQOASA-N 406.527 1.334 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 542463742 MZYIZVKIIMOYEJ-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)C[C@H](C)O1 545461899 IPOOQGBMHWATSB-IRXDYDNUSA-N 406.490 1.924 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546903968 SOWLLIDIZQWSPJ-MRXNPFEDSA-N 401.536 1.940 30 10 HDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NC2CC2)CC1 555255165 DVEDIWRBRCUUAG-FQEVSTJZSA-N 422.533 1.931 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 559008145 ZFAHFPXJGLIEAX-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cccn2)cc1 574965652 IELNEQXJIOICJU-HNNXBMFYSA-N 409.471 1.900 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 575459827 BAHLUCNBXGVLBG-GOSISDBHSA-N 407.540 1.751 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 589428356 LXVGCNRWLHLVHF-INIZCTEOSA-N 401.492 1.288 30 10 HDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc3cnccc23)c1=O 679924419 BXVZZOXLDSMAGT-UHFFFAOYSA-N 419.506 1.349 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)cc1 680841896 OXEMCKZHXRMSNI-KDURUIRLSA-N 420.579 1.439 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 729333981 FAMWUYOYWXGXGQ-AWEZNQCLSA-N 419.453 1.902 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](c4nnc(S)n4C)C3)cc2C1=O 732081681 SRUILBYMRAYSBA-CYBMUJFWSA-N 411.487 1.906 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1C1CC1 732668931 BWHXXEPIDSSEGJ-LBPRGKRZSA-N 415.269 1.718 30 10 HDEE CCCNC(=O)CSc1nn(CN2CCN(C3CC3)[C@H](C#N)C2)c(=S)s1 732673011 RZLYPRVSNHZELV-CYBMUJFWSA-N 412.610 1.922 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C(=O)N2CCCCC2)CCN1C1CC1 732706813 RPHJLIVPILFHJP-QGZVFWFLSA-N 409.490 1.450 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 735876434 HLOIXIBQFJECHS-NVXWUHKLSA-N 424.542 1.193 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)cn1 741450559 XPPKXKXWGMFHNW-FVQBIDKESA-N 406.556 1.701 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)cc1C#N 746685769 SAPZOSSYNZJVDF-UHFFFAOYSA-N 413.452 1.556 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 747262863 JHRSSSSQKAOXLL-VMPITWQZSA-N 407.492 1.109 30 10 HDEE COc1ccc(CNC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1C#N 747436179 ZKSINTBQNQHJJY-UHFFFAOYSA-N 410.478 1.652 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(O)CCC4(CC3)OCCO4)cc2C1=O 748357163 OJGYOBWVMHEHDN-UHFFFAOYSA-N 400.431 1.247 30 10 HDEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 755425064 YPRVYTKQZGZTGO-NHCUHLMSSA-N 404.470 1.824 30 10 HDEE Cc1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c(=O)[nH]c1C 758002532 GZOKMLLYWAFVDQ-JCMHNJIXSA-N 403.464 1.452 30 10 HDEE CN1CCN(c2cc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)ccn2)CC1 762242011 MIAIYHPSJNPWQC-UHFFFAOYSA-N 420.517 1.918 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@H]1C)c1cc[nH]n1 772343410 OXNZWEHTWNEQGC-VLXJIEOASA-N 400.435 1.763 30 10 HDEE Cc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OCCO)c1 773279944 RNSIHSVNTAOUPI-AWEZNQCLSA-N 417.487 1.822 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)c1 776756081 KRLRGMWZFGJGIN-UHFFFAOYSA-N 418.434 1.366 30 10 HDEE Cc1nc([C@H]2CCCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 779698988 DPWMJSWBMHDVCQ-OAHLLOKOSA-N 417.491 1.951 30 10 HDEE CN(C(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(C)(C)C#N 780257516 ZJPCESROACRXGR-FQEVSTJZSA-N 403.435 1.376 30 10 HDEE COC(=O)CC1(NC(=O)Nc2ccccc2O[C@H](C)C#N)CCS(=O)(=O)CC1 784459779 QMOBDBXLDMYBFY-CYBMUJFWSA-N 409.464 1.609 30 10 HDEE C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(N2CCCC2=O)cc1 787779189 VVLCPPLKPULZNJ-OAHLLOKOSA-N 420.473 1.486 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3ccc(-c4cc[nH]n4)o3)nc2)CC1 788419161 HGOUUZVAFXJXDJ-UHFFFAOYSA-N 415.479 1.447 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)CON=C(N)c3ccco3)cc2F)C[C@@H](C)O1 789628051 SXVNQZKIDRCPFH-ZIAGYGMSSA-N 404.442 1.986 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1 790105782 BULYCKFLRCLLOL-UHFFFAOYSA-N 403.446 1.445 30 10 HDEE C[C@@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 790671519 PJEMORNNMBERPP-CWTRNNRKSA-N 403.822 1.695 30 10 HDEE C=CC[C@]1(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CCCN1C(=O)OC(C)(C)C 790862656 KIGMKXMQAGAQJR-HXUWFJFHSA-N 419.482 1.794 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)cc1 802321602 FDCIVPJFMAZSCN-ROUUACIJSA-N 412.515 1.882 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC(=S)NCC2CCC2)cc1Br 807968782 CTYUVFFOSCODGS-UHFFFAOYSA-N 405.343 1.695 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 811523586 FCLYHFOULDQCMF-QGZVFWFLSA-N 416.499 1.733 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916775550 WGGFFJDEBWGNBW-VBNZEHGJSA-N 403.460 1.068 30 10 HDEE N#Cc1ccc(CCNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 1130904936 UBTVSQYFTIRHIW-UHFFFAOYSA-N 419.528 1.542 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4nnc(O)cc4C3)C2)C1 1138448666 ZQVCCWPIKAVBJH-DBWCEAHUSA-N 413.478 1.854 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)ccc2c1=O 1142979817 KRFOXFPVZSNMIJ-ZDUSSCGKSA-N 415.519 1.063 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc(Br)cc2)CC1 1152972863 DNFCBJVNJMOXKW-ZDUSSCGKSA-N 414.325 1.164 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC2(CC(C(=O)OC)C2)C1 1154754601 ZSFKOXSRLSWMPI-KXSVDRQTSA-N 408.495 1.910 30 10 HDEE C[C@H](CC(=O)NC[C@H]1CCC2(CCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1155381790 BPSMZEUHNWDGOF-HUUCEWRRSA-N 405.520 1.969 30 10 HDEE C=CCCC[C@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OC 1155475237 NVXVHHNCDPCSAQ-OCCSQVGLSA-N 400.522 1.602 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)C(=O)NCC3)s1 1160541407 ZHMMFNNAWXCFAP-UHFFFAOYSA-N 405.501 1.680 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(CC(=O)NC)CCCCC2)c1 1167646195 XAWJPBIPBZQNIG-UHFFFAOYSA-N 405.520 1.415 30 10 HDEE C[C@@]1(C(F)(F)F)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1174601096 LMVPNJQIGSLVOJ-KDOFPFPSSA-N 424.379 1.943 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C4CCOCC4)C3)CC2)o1 1176410952 FAEQABMDNQHUQO-GOSISDBHSA-N 401.511 1.642 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1176814530 ODCUWHFHTJHATG-MRXNPFEDSA-N 423.535 1.187 30 10 HDEE CC1(C)C(=O)N(C[C@@](C)(O)C(=O)N2CCC3(CC2)CC(=O)C=CO3)c2ccccc21 1179420961 AEZUXSKYDUDQHX-JOCHJYFZSA-N 412.486 1.926 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181000461 OGTJPEWAXIXUHR-OAHLLOKOSA-N 417.466 1.453 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1198203000 VCQHGOXEQABAGH-IBGZPJMESA-N 415.515 1.825 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cn1 1224010884 AVHJJHDCBYRCME-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1227404372 WDYUKKGFVIDSRP-QGZVFWFLSA-N 404.536 1.178 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CCC2 1233852141 KDOHLAHACGQCDJ-BMFZPTHFSA-N 415.494 1.821 30 10 HDEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2ccccc2)C1 1281813173 QJLIFIKNRGDSAM-FIQGOXITSA-N 408.498 1.561 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1C 1286299309 VAZOKOCOBXHNNH-HNNXBMFYSA-N 406.498 1.087 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1286372880 GYPGXKPMFPTUGW-UHFFFAOYSA-N 401.898 1.874 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286396559 WCGGZHBEPHDKGK-CQSZACIVSA-N 407.565 1.998 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC1CCN(CCN(C)C)CC1 1286406329 WBVRFYVXPLBUPZ-UHFFFAOYSA-N 405.550 1.687 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1CCS(C)(=O)=O 1286434387 YQFFGDKFWLBWAA-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1286749683 XQMQNMRDOJWULS-DNVCBOLYSA-N 403.508 1.635 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286757637 SIRMOEATZLPKKZ-SJORKVTESA-N 409.556 1.980 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1286790973 RAHGBMNHPRERLQ-HNNXBMFYSA-N 422.480 1.574 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](C)C(=O)NC 1286819667 RQMQLYTZCHCMRZ-AWEZNQCLSA-N 420.539 1.068 30 10 HDEE CC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286949250 FKINPDUGKCMNPE-UHFFFAOYSA-N 418.461 1.401 30 10 HDEE CC(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1286952156 MICBEHSJNPFNOM-CQSZACIVSA-N 404.421 1.402 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](CCC(N)=O)C3)C2=O)cc1 1292742358 BIPDIYGHYRAZJR-WBVHZDCISA-N 411.462 1.267 30 10 HDEE C#C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1299870092 WVOFMRCJGBTPTQ-IAGOWNOFSA-N 406.504 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1300272881 NZZYCFRWFOLXKL-JKSUJKDBSA-N 404.540 1.483 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1300439944 NGJJUEGVVPVBPA-UHFFFAOYSA-N 419.287 1.279 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(NC(C)=O)nc1 1300672925 BCRCHWZXFMSIIY-UHFFFAOYSA-N 419.489 1.752 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCC)CC1 1300696367 ZTOBTOPIZOCKIU-UHFFFAOYSA-N 406.494 1.276 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(-n3nc(C)cc3C)nc2)CC1 1300701643 XVXHNCRKZQPVOD-UHFFFAOYSA-N 404.522 1.842 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CC2)CC1 1300716823 RVGXPGXATYOKLU-JOCHJYFZSA-N 415.538 1.695 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1300742245 BRHGCOOHUDQIHA-UHFFFAOYSA-N 410.547 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@H](C)C1 1301567549 ITKHLCBZBGNILG-HUUCEWRRSA-N 418.523 1.618 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(-c2nc[nH]n2)cc1 1301953813 UJEFCBKYUZSVAQ-CQSZACIVSA-N 407.482 1.846 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cc1 1302832436 LJKDIDAGYSXMOT-RBUKOAKNSA-N 407.536 1.259 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1303454961 WALRBZLONUJHBO-OAQYLSRUSA-N 418.542 1.973 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)CCOC1 1303491092 YTPXNXQOOVATNC-SFHVURJKSA-N 411.528 1.103 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1305720628 GBEGQBUKSLOVMO-GDBMZVCRSA-N 424.571 1.902 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)CCC(=O)NC)n1Cc1ccc(C#N)o1 1305728053 DKHRNVUQGXSURB-UHFFFAOYSA-N 401.471 1.282 30 10 HDEE CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1307027816 IETLBUMTBPYAPY-UHFFFAOYSA-N 422.541 1.790 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1309733620 QAUGTLUPHGDTGE-RTBURBONSA-N 408.520 1.993 30 10 HDEE C#CCN(C(=O)NCc1c(Cl)cccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1312766433 SKTFVLUFPLGJNW-CQSZACIVSA-N 406.895 1.858 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](OCC)[C@@H]2CCOC2)c1 1351602142 RPOGTVQZGQUZCO-NQIIRXRSSA-N 400.475 1.301 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN(C)C 1354122499 BIKAEFZVXYIZRV-FQEVSTJZSA-N 406.486 1.812 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1358871785 KMFFGMIPNBQYMN-ZIAGYGMSSA-N 419.507 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1358889384 BDFMXGQIABHHBG-DZGCQCFKSA-N 402.476 1.415 30 10 HDEE C#CCCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358924862 LKSPIPLDASWTPD-QGZVFWFLSA-N 424.505 1.980 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1358926915 GZJDGKOOUDNTOT-UHFFFAOYSA-N 421.553 1.765 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1358937098 IFNQELJQGGGWDC-MRXNPFEDSA-N 415.519 1.651 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1OCC[C@H]1C 1359019252 OJHLFKXUVSCQAB-DBXWQHBBSA-N 406.527 1.830 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1359074775 QXSRNMJXDMXMMY-VCMOWOFXSA-N 410.478 1.648 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359136398 HYNQOSGTRILAEN-RZQQEMMASA-N 422.482 1.637 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1359289193 JNVHDXKQEHJYFS-UHFFFAOYSA-N 412.542 1.259 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1359296797 VDOKZYHCVZFAIV-CQSZACIVSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1359302912 XVCNGMCQYAVKOQ-HXUWFJFHSA-N 423.565 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359331693 GFYVDMHKALVOIU-HNAYVOBHSA-N 410.540 1.531 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOC1 1437441211 QZJPTMQEOXIIAN-LJQANCHMSA-N 423.491 1.109 30 10 HDEE COC1(OC)CC(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1440207983 GKXNFHMUVNZSJJ-INIZCTEOSA-N 400.435 1.279 30 10 HDEE C/C(=C/C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)CN1CCOCC1 1441670026 WBVQKNPSYNNAPC-PQNWWDIASA-N 420.535 1.716 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCCC=C)NC(=O)OC(C)(C)C)CC1 1443358223 NJJFFIZIWGGGSP-GOSISDBHSA-N 420.554 1.520 30 10 HDEE C[C@H](CN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nn[nH]n1 1447358589 CFXPBEVXHIKLOC-SNVBAGLBSA-N 404.272 1.532 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1448063660 FNNPGRKFLWWVMS-UHFFFAOYSA-N 421.538 1.733 30 10 HDEE COc1cc(OC)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C=O 1448842906 JGLTXUAFZNLURV-SFHVURJKSA-N 407.426 1.919 30 10 HDEE CN(C)C[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1449064244 SIWQVMYVYSBQKK-AEFFLSMTSA-N 402.495 1.431 30 10 HDEE C#C[C@@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(Br)cc1 1450278047 VSZHUKXPLGRYIL-OAHLLOKOSA-N 411.321 1.832 30 10 HDEE CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCC1 1453840868 GUUGBRIEHLAARM-UHFFFAOYSA-N 417.466 1.259 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1454682233 KWYMIJMROMVHOV-SFHVURJKSA-N 405.414 1.518 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OCC 1454714549 QPNLMOCVVIYRRZ-HNNXBMFYSA-N 416.883 1.358 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 1455146791 BBUHIVPBBDHHNA-IYARVYRRSA-N 414.487 1.769 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)n1 1455866384 MNGDMKMUWXFGIC-UHFFFAOYSA-N 408.462 1.820 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1nc(C#N)cs1 1456479544 OSLXVJCQMKSHFV-LGOOBZPGSA-N 412.393 1.617 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(C(F)(F)F)no2)ccc1F 1458832821 NUAYKFIVXBVWNK-UHFFFAOYSA-N 408.333 1.622 30 10 HDEE C#C[C@H](NC(=O)Nc1ccccc1OCC(=O)N1CCOCC1)C1CCOCC1 1465792441 ZDFJBOADMVCEDM-KRWDZBQOSA-N 401.463 1.474 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)cc1 1469650256 STFLOEOJKGOSQM-AWEZNQCLSA-N 410.414 1.163 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1469762100 BNJZJRRLXJTNHS-NBYUQASBSA-N 414.506 1.919 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 1470213647 HJSGFDVWCDPWRK-UCLAIMLFSA-N 415.519 1.486 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1470592180 ADJJTWUQFJOLKW-SJLPKXTDSA-N 405.520 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1470872692 DBSHBOJHKYPMHR-GFCCVEGCSA-N 411.455 1.862 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(NCCc4ccccn4)cc3)C2)c(=O)nc1O 1472371812 XMZRWJCBMFGEPU-UHFFFAOYSA-N 416.441 1.567 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1473748406 UDFYFJVKOHRIHG-GGAORHGYSA-N 404.470 1.588 30 10 HDEE C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850741 ROGRRMPKXYCYDP-BFQNTYOBSA-N 412.309 1.646 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1)C1CCOCC1 1479008868 XLDQLPVEAUDYSW-HXUWFJFHSA-N 404.555 1.439 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 1479332133 FKTZCHRHDHHZBF-UHFFFAOYSA-N 404.536 1.993 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1503864123 SPZMNZVDRYTTHY-LAUBAEHRSA-N 411.462 1.622 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)c1 1504338428 FILRAKJVIWETJF-GKCIPKSASA-N 401.442 1.936 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCN(CC)CC1 1507604775 HRRGKMIZGKUVQZ-UHFFFAOYSA-N 424.553 1.413 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1507692367 XJZUOSNKTUPPQL-SFHVURJKSA-N 421.461 1.403 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)N(C)C)CC1 1507721229 LZJOXSVTFNJMRX-UHFFFAOYSA-N 415.929 1.617 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2CC)CC1 1507735971 BWRULRCSPHOZAK-IBGZPJMESA-N 421.549 1.790 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC1CC1 1508141192 TVBRAZLCKYXJPP-UHFFFAOYSA-N 407.496 1.453 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1508146514 YJDQUSDYQCEVGU-UHFFFAOYSA-N 409.556 1.184 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1509951245 GDCSVXBZSGFMRA-ZSEKCTLFSA-N 420.477 1.811 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CC2)C1 1510289673 FKOMUAUIPJCVTH-SFHVURJKSA-N 420.539 1.108 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1511888658 IAGVFKZABURMOU-UHFFFAOYSA-N 416.551 1.998 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1512576443 GEHSDRXNAAYTAM-AOMKIAJQSA-N 419.489 1.826 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1513056856 BTHHPRIVDJZYCK-PKOBYXMFSA-N 403.575 1.794 30 10 HDEE CCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1514299676 JKAAXRJHDXSMSH-DCOQFNDQSA-N 417.514 1.568 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517155063 HDOVCKCHEGNPKO-ZPHPHTNESA-N 410.482 1.442 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1ccnc1C 1519436145 KSHZDUVLKYPLEP-BXWFABGCSA-N 403.462 1.649 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1521039547 NLBLICUPFHAIAQ-ZWOKBUDYSA-N 401.511 1.379 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1526045790 CCCJNTAYNFPWHP-SFHVURJKSA-N 400.475 1.895 30 10 HDEE COc1ccnc(OC)c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1533647737 AREKHCANEAAZCN-CQSZACIVSA-N 409.402 1.814 30 10 HDEE C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006400 TXQOQHGTJAUYLH-DETPVDSQSA-N 402.394 1.869 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539095546 GOZRVTNURWHOMJ-MSOLQXFVSA-N 419.526 1.243 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1539154532 PRGWMPSRNGZILB-NRFANRHFSA-N 419.526 1.867 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1COCCO1 1539326285 UDELXSFZYJZBBV-XLIONFOSSA-N 408.458 1.669 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1539371818 JVKMTSBDCATORF-UHFFFAOYSA-N 409.943 1.921 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F 1539383663 HNERUGXZZZFTFK-JSGCOSHPSA-N 403.405 1.140 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)CC1 1539849645 ZPFRVZYWOJPKGS-IAGOWNOFSA-N 409.556 1.057 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1539980974 BUBBRSMSCIITHX-ZDUSSCGKSA-N 406.512 1.518 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1540857941 WZUCOGUZQSFPBQ-ZWKOTPCHSA-N 416.570 1.927 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540915206 HSMTVCKUSCUWPM-BZUAXINKSA-N 410.540 1.799 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccn2)CC1 1540916430 XANYKMDPTMWLIX-OAHLLOKOSA-N 414.539 1.265 30 10 HDEE C=CC1(CC(=O)N(CCC#N)CCN2CCOCC2)CN(C(=O)OC(C)(C)C)C1 1542438723 SQJUIBRHHKKADH-UHFFFAOYSA-N 406.527 1.874 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ncnn1C(C)(C)C 1543310666 FPMBVQSHLXQAFQ-UHFFFAOYSA-N 406.498 1.575 30 10 HDEE Cn1cc(I)c(CNC(=O)c2ccc(C#N)c(Cl)n2)n1 1545084520 HJAXMFQNJWVGEG-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1548289890 SUGRONPJCZHPPM-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COC[C@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1555278911 GCAWWZAOORVOBS-SJLPKXTDSA-N 403.458 1.785 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 1556317284 VTLIDSGQNRKAFV-MCIONIFRSA-N 423.963 1.856 30 10 HDEE COCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1556894983 CNNARISEZVOZOM-FEDUSRTKSA-N 409.483 1.468 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC 1558382967 IRRKKYISLHOMEU-GUYCJALGSA-N 404.385 1.632 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CCN2C1=O 1565166892 BETQGQQBBXONLZ-SFHVURJKSA-N 410.478 1.205 30 10 HDEE CC1(C)CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H]2COC[C@H]2O1 1585171816 KKCANRJKEDKKAI-IAOVAPTHSA-N 403.866 1.969 30 10 HDEE N#Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1Br 1585445872 PTFVDSNCYCERQO-RFHZTLPTSA-N 404.220 1.422 30 10 HDEE Cc1c(C#N)c(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nn1C 1586036906 GWEKBMLXXLLUPZ-UHFFFAOYSA-N 412.475 1.400 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C(C)C)c2-c2ccccc2)CC1 1588199398 NTGXXOZXNLVHJP-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CCC)C1 1588560571 SQNYTJRGVOMPPO-SFHVURJKSA-N 402.543 1.332 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1588628579 LIXDCKOYDUJNRJ-INIZCTEOSA-N 403.508 1.169 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1(=O)=O 1588660562 XHPGIZXPCXVMBP-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC 1589663156 JCVJZFAHGFUYKF-JKSUJKDBSA-N 415.560 1.296 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1594744474 RHMFXFVIEPFTMZ-UHFFFAOYSA-N 408.510 1.944 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1594949250 VAXZPYSUJUFZCU-QWHCGFSZSA-N 402.421 1.115 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N2CCCC2=O)CC1 1595788813 KCJRYFUKECPIKV-UHFFFAOYSA-N 407.540 1.348 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 1595790495 MYOVKCCUNLAETL-CYBMUJFWSA-N 414.325 1.232 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)ccc1F 1597353044 GLCYRGMWYQSNBD-MRXNPFEDSA-N 423.510 1.907 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1612910838 IRELEBRIIRBXCQ-CJNGLKHVSA-N 409.450 1.030 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1615088774 UOZKGLHUWRDONZ-UHFFFAOYSA-N 405.503 1.301 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CC1 1615841841 GYYKBVYCZIPQJF-QZTJIDSGSA-N 412.542 1.038 30 10 HDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC#N 1617173206 YTBYWNNEUFOGLI-HNNXBMFYSA-N 420.539 1.970 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1 1617792396 BVQGXHYSTLXKCF-JOCHJYFZSA-N 424.505 1.273 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)CCS2(=O)=O 1618581009 KJUQGOCWBALNFI-QCGWZAEESA-N 420.487 1.341 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 1619904967 MXENXGCYZJUBSB-IRXDYDNUSA-N 402.491 1.950 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OCC 1622506773 ZNKVEYHFXVZSNJ-SECBINFHSA-N 415.942 1.981 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1nn(C)c(C)c1CNC(=O)OC(C)(C)C 1625979400 ANLYUWWFXPXEHN-UHFFFAOYSA-N 415.516 1.476 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1ccc(F)cc1)c1cc[nH]n1 1627744004 KGYJYCAKDXKLJK-INIZCTEOSA-N 404.398 1.433 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1627800208 MUDZMGDDPDNFFT-LBPRGKRZSA-N 414.247 1.698 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)cc1 1628324649 MYNPDNUSBOKHJT-UHFFFAOYSA-N 402.520 1.161 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C(=O)NCC2(C#N)CCC2)cc1 1630198184 IFOKLOQJVRFWPF-FUHWJXTLSA-N 405.520 1.744 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)cc1 1630535380 DGNHWEVSTNIGMJ-SECBINFHSA-N 402.354 1.491 30 10 HDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)c1ccccc1 1630914460 OXAJLWJKBMOFOH-MRXNPFEDSA-N 404.513 1.998 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 1632687197 DDBVVVBPZGVPFK-CYBMUJFWSA-N 415.475 1.632 30 10 HDEE C#CC[C@H](NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1633352953 WWSBUUWOVWJAPL-INIZCTEOSA-N 423.477 1.227 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 1635680186 OSXCOVVSNSLREX-KXBFYZLASA-N 414.897 1.991 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)s2)CC1 1635737346 LPXCLCBVXJCFPO-UHFFFAOYSA-N 424.548 1.367 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1=O 1635762002 MMKMKVHQQQMZEY-OAHLLOKOSA-N 421.498 1.031 30 10 HDEE CN1CCN(CC2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1637487333 HRROXLFCJNKDIV-UHFFFAOYSA-N 404.555 1.343 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)c1 1637728362 PGBSBTZPCZLNCZ-XAVKZTDYSA-N 422.425 1.724 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 1638655147 GXTIKHNYVJCPJR-LJQANCHMSA-N 401.486 1.782 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](OC2CCCC2)C(F)(F)F)c1 1638905193 GEHAYPUQYAHKSA-OAHLLOKOSA-N 419.425 1.843 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)cc1 1638948040 GTLUHGXVIWJDPM-RDJZCZTQSA-N 404.492 1.535 30 10 HDEE Cn1c(=O)[nH]c(N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C#N)c1=O 1639224378 QCXMUEIGFOYCBS-UHFFFAOYSA-N 424.339 1.199 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1639968747 NANZWOBIGOLLLX-UHFFFAOYSA-N 400.479 1.721 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nncnn3)cc2)c1 1640660660 SVFIUFLNIFNTJG-UHFFFAOYSA-N 407.455 1.661 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1641521378 NQQRHJBUQGUKAK-KRWDZBQOSA-N 415.471 1.548 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]4CCNC(=O)[C@H]43)CC2=O)cc1Cl 1643489013 VOTSGTAAJISIOH-WRSAYESZSA-N 400.866 1.692 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(F)(F)CO)CC3)n[nH]2)c1C 1644003985 VAIMDFKHZZMSMM-UHFFFAOYSA-N 408.453 1.461 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc3ccccc3c2O)CC1 1644284962 DZBUHHOVZDITND-UHFFFAOYSA-N 401.488 1.090 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cc(C(=O)OCC)nn3C[C@@H]2C)c1 1644567446 TXKKVSQDGSYPEB-AWEZNQCLSA-N 409.446 1.594 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCc3cncc(C#N)c3)cnn2c1 1645032191 NYIIYMRUYBAFPV-UHFFFAOYSA-N 421.461 1.993 30 10 HDEE COc1cc(OC)cc(C2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCCC2)c1 1653762813 FEUJTCZQIOCMLT-UHFFFAOYSA-N 424.457 1.733 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)c1N 1655602608 FGKFTZMWZPTOJQ-UHFFFAOYSA-N 417.491 1.734 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1)C(=O)OCC 1656400712 XDXNDTYTEIUKCP-CYBMUJFWSA-N 405.856 1.834 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)NCCn2cnc(C#N)n2)c(F)cc1Cl 1661867363 BUWMQJANXCVOLM-UHFFFAOYSA-N 401.807 1.097 30 10 HDEE C=CCCSCCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1665971157 OUIUGXIHPVTLJW-UHFFFAOYSA-N 413.565 1.816 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1666153789 XTDIOFIQWVBVAA-AWEZNQCLSA-N 413.471 1.397 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1680490281 YCBZPIODIZCWMP-MRXNPFEDSA-N 417.473 1.583 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1681514787 CFKXYEBVLYJLMK-QZTJIDSGSA-N 412.494 1.451 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nnc(O)n1C)C1CCN(C(=O)OC(C)(C)C)CC1 1685391004 MKFWCHITHLIGOF-CYBMUJFWSA-N 406.487 1.626 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 1685830406 VLAFUAYDVZJDKA-CQSZACIVSA-N 422.327 1.769 30 10 HDEE COc1ccc(C[C@H](CO)CNC(=O)NCC#CCN(C)C)cc1Br 1687888922 GNIWPYFNCFDBLG-HNNXBMFYSA-N 412.328 1.473 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1689885249 BIPNVYFYMFULMQ-UHFFFAOYSA-N 405.528 1.000 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689980673 VYQINUNJCBQFFS-ZWKOTPCHSA-N 421.611 1.934 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689990189 MPYSLLBREMKXMF-IRXDYDNUSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CN(C)C1=O 1690053136 YMTKZNWSMKHHGK-HSZRJFAPSA-N 405.502 1.841 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1690066825 NRSSAMISZPFDOD-PKOBYXMFSA-N 422.493 1.432 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1 1690080011 CYJCGXBZYAMIPH-FQEVSTJZSA-N 409.582 1.997 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690099866 OHGVRAJBDSPYIO-XLIONFOSSA-N 400.483 1.103 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCSCC2)CC1 1690115982 YGCXCKCKXKMBFR-UHFFFAOYSA-N 400.552 1.651 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H]1C(=C)C 1690189913 GEKFUFCKSZJCPB-TVKQPGBESA-N 421.567 1.862 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1690204965 XGSOYLDOYNRHLL-CSODHUTKSA-N 401.511 1.665 30 10 HDEE C=CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690496222 MUXPJZYFNOCGIS-NQIIRXRSSA-N 421.542 1.626 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1692665660 YDWHLFWSXADJBM-KUHUBIRLSA-N 418.523 1.813 30 10 HDEE CC1=CCCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1693287169 JHXAXLHWHPPKNC-FBMGVBCBSA-N 413.482 1.099 30 10 HDEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1694990613 SGFFYKXCCYGQFN-YMYIHSNWSA-N 407.544 1.031 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1COc2ccccc2O1 1698060884 MCJDLXFHZZJGMX-KRWDZBQOSA-N 423.477 1.885 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1705497923 KHFGUHTZXJXPJE-NVXWUHKLSA-N 402.524 1.146 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705529248 BPCXORNPEVFWIM-MRXNPFEDSA-N 402.524 1.519 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1occc1C 1705571955 MJRZNDGRGPDPCU-UHFFFAOYSA-N 410.478 1.211 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F 1705574056 TUQOGJXTNPUELQ-HUUCEWRRSA-N 413.494 1.787 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCC1 1705589053 MUQFJCSAKIUEAM-QZTJIDSGSA-N 420.583 1.083 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1705630564 XUCZAPSGAUHGEJ-SFHVURJKSA-N 408.568 1.922 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)NC)CC1 1705640602 YHCTZFANZZJPHA-UHFFFAOYSA-N 400.914 1.414 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1705650520 SWWMSHBYKLZITD-QGZVFWFLSA-N 416.570 1.747 30 10 HDEE C=CCN(C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)Cc1ccon1 1705840344 KOOOOAYHRXEBNO-UHFFFAOYSA-N 403.468 1.070 30 10 HDEE C=CCN(c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705851801 BAYGVHRILGYGLD-HXUWFJFHSA-N 418.519 1.658 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CO)CC1 1705905898 LBYJCCKDVASBPC-UHFFFAOYSA-N 409.494 1.028 30 10 HDEE CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)C(C)C 1706074748 DAHTZXWLGWZYEC-IAGOWNOFSA-N 410.588 1.895 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)O)cs1 1707764945 JJQOBTHUJDFACN-MRXNPFEDSA-N 401.540 1.581 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1711967671 MXHPDBFIHSJSOO-HNNXBMFYSA-N 422.493 1.684 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1712320144 DZULWDJGBJFFPS-VFNWGFHPSA-N 412.494 1.271 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccncc1Cl 1712451934 LBGARGHSYWETNR-UHFFFAOYSA-N 417.901 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCCN1CCC[C@@H]1CO 1722380597 RIGROJCIESKIPA-HXUWFJFHSA-N 406.534 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COCCO1 1722401105 LQJWWFFSMQBSSS-INIZCTEOSA-N 413.503 1.148 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1722437976 XQFUVMQKSGNIPD-XGHQBKJUSA-N 400.527 1.332 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C/C=C/c2ccccc2)CC1 1722441344 PPJJTPGTRHAHEB-UXBLZVDNSA-N 404.518 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)CC)CC1 1722446890 AVPVVYRIORRVBG-UTKZUKDTSA-N 403.527 1.647 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722455845 XMCJGMZRQIVKNY-AWEZNQCLSA-N 420.926 1.311 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)CC1CC1 1722473974 JWPJRGWEUGQBFO-YLJYHZDGSA-N 406.552 1.989 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722535079 YOWKCCYQXBNKRX-GOSISDBHSA-N 410.482 1.639 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1722728549 WWTBDZCKJIZZDL-SFHVURJKSA-N 404.471 1.691 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2nc(C)no2)CCOC1 1728778132 GHUDNPMXMVNIPY-HXUWFJFHSA-N 415.498 1.994 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cn1 1729573139 HNXQFOCLVYCVFK-FQEVSTJZSA-N 405.466 1.351 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CC2)CCO1 1729680041 BXOKPCJXSWJODW-GOSISDBHSA-N 424.505 1.585 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1729750533 LFSPMKBGBVXAHV-GOSISDBHSA-N 413.478 1.605 30 10 HDEE CC(C)(C)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1740368387 UKQUFNYIZGDDRX-QUEVPRLRSA-N 402.413 1.630 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1740542170 PJEGYRLJHXWUFD-HNNXBMFYSA-N 421.509 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1740546832 LKYSQFAQDDLSEX-HZPDHXFCSA-N 404.474 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CC(=O)N(CCOC)C1 1740648873 TWKIHIBSZOQGLM-SFHVURJKSA-N 409.490 1.804 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@]2(C)COCCO2)n1 1740687886 NRQKHHHUEKUQIY-OAQYLSRUSA-N 416.526 1.690 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCC(OC)CC2)CC1 1740689276 ULORHPDMHLZPOT-UHFFFAOYSA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1740715654 DDRHIHNCPOQNIZ-DLBZAZTESA-N 402.568 1.660 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1740791816 QTLYPGLSRSRSPW-GOSISDBHSA-N 413.526 1.486 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1740909959 DZHWBMADLBNRHY-IRXDYDNUSA-N 421.567 1.594 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCOCC2)C1 1740982490 WFIYRSFJLZLIQE-AZUAARDMSA-N 412.538 1.766 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1747619314 VBACZUBTVPZJGX-GOSISDBHSA-N 417.535 1.993 30 10 HDEE COc1cc(F)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1748561768 FPLQKGQGZPOKEA-OLZOCXBDSA-N 424.502 1.680 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO 1748638342 NISXXFDWURVEOD-DLBZAZTESA-N 411.510 1.230 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748791462 STRYVIFEDIUPQU-ZACQAIPSSA-N 407.540 1.056 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748809884 XCSHRPFSEMCVFH-DOTOQJQBSA-N 418.519 1.615 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCN(C)C1 1748837345 CTNSAAXHFIPMFJ-QHCPKHFHSA-N 400.486 1.633 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1748972378 HGTZZKLQYTXRMI-GOSISDBHSA-N 411.554 1.731 30 10 HDEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1749351072 NKRKDUDTVZLFHJ-CZUORRHYSA-N 424.502 1.381 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1760117607 RBSWDOGUWDJACB-CRAIPNDOSA-N 414.531 1.759 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1760154437 FANQTYPSNFPCAA-SFHVURJKSA-N 402.520 1.593 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(Cl)cn1 1760177965 UDYRCARZGIJUGX-UHFFFAOYSA-N 403.899 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CCC2)CC1 1760255718 OFCNBCQAEYNLDI-UHFFFAOYSA-N 417.535 1.569 30 10 HDEE Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N(CCC#N)CC2CC2)s1 1762485998 HIWSXEWOOQNWGS-UHFFFAOYSA-N 402.528 1.949 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCC(F)(F)F)cn1 1767464875 OLNNAGRMKSDMTO-LBPRGKRZSA-N 401.418 1.703 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1767561838 DVXZDFVCNZOAGL-NJSLBKSFSA-N 408.478 1.216 30 10 HDEE COC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1767975479 NEUQYTIVNQORBQ-UHFFFAOYSA-N 419.493 1.753 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1769985128 XZJUIZYFCPUZAC-YJYMSZOUSA-N 402.455 1.217 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772789735 KLUOJTDJQCXKOE-UHFFFAOYSA-N 422.440 1.471 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)ON2C(=O)c3ccccc3C2=O)CCS(=O)(=O)CC1 1772792083 KGVPYKOMAQQCCQ-UHFFFAOYSA-N 423.443 1.278 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CCNS(=O)(=O)c3cccc(F)c3)CC2)CC1 1848778822 ZKUJSQWNELBZHL-UHFFFAOYSA-N 422.526 1.721 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1N(CCCN1CCOCC1)C(=O)[C@@H]1CCCOC1 1849869416 LNDKTDDLXDHEKF-MRXNPFEDSA-N 402.451 1.948 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@H]2CCOC2)cc1 1851464920 BOMIBMCNXAYJCW-PKOBYXMFSA-N 400.456 1.780 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CC2)cc1 1851525567 NEIOKILEXSZCJH-OAQYLSRUSA-N 420.444 1.830 30 10 HDEE CN1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)c2C#N)C1 1852530534 RZUGORAZSYFBCL-HZPDHXFCSA-N 414.531 1.987 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4cc(C)no4)CC3)CC2=O)CC1=O 1853961115 XJABLOXGGCYHLP-ROUUACIJSA-N 414.506 1.605 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)C12CCCC2 1854449367 KNQWEYLYPGQBKI-IAGOWNOFSA-N 414.510 1.604 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC3(COC3)C2)CCN1S(=O)(=O)c1ccccc1C#N 1854454110 JCRUAEWFPCROLW-UHFFFAOYSA-N 417.487 1.123 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)c1 1854706540 HPRXYDBZKXDLDO-INIZCTEOSA-N 411.483 1.857 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)C[C@H]3CCOC3)C2=O)CC1 1854781552 JGOQVYRSEWTGRV-IEBWSBKVSA-N 411.506 1.410 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)[C@H]3CCCOC3)C2=O)CC1 1854862945 YXFWFFXZXDKYAP-RBUKOAKNSA-N 412.490 1.598 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2F)[C@@H](C)C1=O 1855012358 FWEJMDCIOGWBNK-ZDUSSCGKSA-N 412.421 1.278 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCCc4nc(C)cc(C)c43)CC2=O)CC1=O 1855699624 DPSOWILXSPSGTP-ROUUACIJSA-N 410.518 1.861 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856967529 NQALBAOTYFSXKV-UHFFFAOYSA-N 402.476 1.094 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c(C)c1 1857042244 UTLZBWDQWPRNNO-KRWDZBQOSA-N 403.504 1.858 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1F 1857109897 HMKXVTOJDAHESQ-CQSZACIVSA-N 415.446 1.900 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1857485048 AUYVQYQHYCDGME-IAGOWNOFSA-N 423.510 1.614 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862563935 OMPNSMDBOJCMAB-QGZVFWFLSA-N 413.386 1.843 30 10 HDEE COc1cc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)ccc1O 1862738041 QVRGCQDSMQOHIG-QGZVFWFLSA-N 414.370 1.880 30 10 HDEE CSCC[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866928211 AMRIQEFONXVHQP-YOEHRIQHSA-N 423.560 1.950 30 10 HDEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN(CCOC)CCOC 1870762129 UTKHAWSMWZUKGH-UHFFFAOYSA-N 410.511 1.851 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)c(OC)c2)CC1=O 1872981019 DYAJYRHLEACCEH-YCRPNKLZSA-N 410.474 1.936 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1 1981491850 FWJSGDOMMSULEN-SRVKXCTJSA-N 413.334 1.479 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@@]12CCOC2 2174784554 PIVFFGGHVMEFHL-IIDMSEBBSA-N 401.529 1.870 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1 2195972236 UUXODXZAXCWSCV-VQTJNVASSA-N 407.474 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2243422098 XCJVQZZZAXOAFT-CYBMUJFWSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243431761 NZAQWSYCITXFOO-XGUBFFRZSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244551857 MAAVZZAFIJGCGI-CABCVRRESA-N 408.304 1.498 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247937790 PKIYEECJEAJXSG-VFNWGFHPSA-N 420.315 1.763 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2255607582 AUOMZCUYPFVQGS-ZHRRBRCNSA-N 423.326 1.119 30 10 HDEE C#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258160895 VODJQKSGFRMQEX-QGZVFWFLSA-N 402.428 1.789 30 10 HDEE N#C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258169390 ICXSMBZMNIISGM-JYJNAYRXSA-N 409.464 1.368 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCC#CC(C)(C)C)NC(=O)OCc1ccccc1 2258179062 GYVLXPBQGXLRIJ-MRXNPFEDSA-N 410.492 1.423 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2279040075 JAVRIDQXHKXTOX-UHFFFAOYSA-N 400.737 1.575 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@](N)(CO)C3)sc2Cl)OC1(C)C 2281972744 NMRCMQWAIOLFOP-QGZVFWFLSA-N 400.737 1.627 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCS(C)(=O)=O)c1C 2281994021 JNCDYAYDNSJAHI-UHFFFAOYSA-N 401.359 1.781 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312868 CLFWAKFFNWHUDH-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(CCO)CC3)s2)OC1(C)C 2282330807 FORSBJORWHCWNI-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282502186 HNWQOFAIDKQSOL-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(O)(C(F)F)C2)OC1(C)C 2282506811 XVVFUNUIPAOOAR-UHFFFAOYSA-N 409.285 1.189 30 10 HDEE COC(=O)[C@@H](N)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282629387 VFFHVWJHOGRNQX-JTQLQIEISA-N 402.709 1.321 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CCN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836888 QIIAQKYYNHCAED-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE C[C@H]1CN(C)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856301 QIXOPRWWXMHCIH-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC[C@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1 2282869218 ZHQJBGPHSDXZHJ-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CO[C@H]1CCOC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282885132 YFSKXWQMWUVYBU-OLZOCXBDSA-N 403.331 1.130 30 10 HDEE C[C@@H](CCN)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2283998900 CHUKPKRUXDHXPX-LBPRGKRZSA-N 403.379 1.237 30 10 HDEE CO[C@H](C)[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284388805 FYOUQTLFCGKWFD-KCJUWKMLSA-N 403.693 1.919 30 10 HDEE C[C@@H](C(=O)O)C1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284402611 OJHYXUGNCTWZRE-SNVBAGLBSA-N 401.315 1.389 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300226146 QJINBDDECKAZPV-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cc1csc(C#C[C@@H](O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2338397013 LFMXPJKFNDSOMV-UONOGXRCSA-N 400.522 1.588 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1(C)C 2363296647 URAMQCHMWJNBJP-UHFFFAOYSA-N 402.561 1.787 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@@H](O)c1cn(C)nc1I 2363525873 ITDBCOQRONOQTH-PWSUYJOCSA-N 402.261 1.544 30 10 HDEE Cc1csc(C#C[C@@H](OCCN)c2cc(I)nn2C)n1 2363691484 NNCOQOIHXBQTNY-LLVKDONJSA-N 402.261 1.858 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@](O)(C#CC(C)(C)S(C)(=O)=O)C1 2365192922 XTNULMSKKMATMU-OALUTQOASA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365203699 KLPDKMXBPWQGHT-XLPNERPQSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@]1(C)CCN1C(=O)OC(C)(C)C 2367823870 JKSFARKISYSAFX-JLSDUUJJSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)C#CC2(S(C)(=O)=O)CC2)C(F)(F)C1 2367842208 KAEHCKAFSFKNGK-MRXNPFEDSA-N 407.435 1.143 30 10 HDEE N#Cc1ccc(NC(=O)CN2CC[C@]3(C2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 19422 ZJMBBHIQJONCCU-JOCHJYFZSA-N 421.432 1.832 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(-c3cccc(Br)c3)no2)CC1 23266203 VUMGFSBGHYHCNU-UHFFFAOYSA-N 420.311 1.919 30 10 HDEE C#CCOC[C@@H](O)CN(CC)Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1 36207430 VPAQDZPFCWWAOK-AWEZNQCLSA-N 421.519 1.691 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410137581 ASYVVYILFXNIED-UHFFFAOYSA-N 406.382 1.656 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 428008625 QGALDPDKHWFDCN-OHEKKUKSSA-N 417.513 1.776 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)C1 430354810 FRVOFFAETRNYGC-HNNXBMFYSA-N 418.519 1.856 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)CC1 436788807 BDNDOJJBPUVKDK-UHFFFAOYSA-N 402.520 1.944 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460686981 HCCWUEHODYSPIP-UHFFFAOYSA-N 404.430 2.019 30 10 HDEE Cc1cc(N2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)n2ncnc2n1 471695352 YHLSENJKAMQKNA-SFHVURJKSA-N 400.446 1.335 30 10 HDEE CN1CCN(c2cccc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)n2)CC1 502076107 AVMCEGOXQBLOHF-FQEVSTJZSA-N 404.518 1.684 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1CCC#N 504247958 ZKHRUYCVYLTQOL-BZUAXINKSA-N 421.523 1.153 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 507562382 HNKSNISXLUIKMV-UHFFFAOYSA-N 414.487 1.935 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 508920839 KJZZJCMJQHLBRM-MRXNPFEDSA-N 409.487 1.573 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)CC2)o1 527002608 ZMIZSAQXKVHIPS-CQSZACIVSA-N 420.473 1.986 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCCO1 535333862 ZLMDFHMXILCDSI-KRWDZBQOSA-N 423.494 1.816 30 10 HDEE Cn1cc(S(=O)(=O)NCC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 541139447 HTIDRDRRXHIUTL-UHFFFAOYSA-N 419.854 1.048 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccc(C#N)cc3OC)nn2)cc1 546003286 XBMTYTUBMSNUBU-UHFFFAOYSA-N 406.402 1.411 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)cn1 555085982 IMTACDTUVNFDAB-UHFFFAOYSA-N 418.385 1.334 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 558677528 LSBPMSPGZRRQQO-DZGCQCFKSA-N 424.527 1.475 30 10 HDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 561100289 SONBAELFEMBVAJ-UHFFFAOYSA-N 402.436 1.384 30 10 HDEE Cn1cc([C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2(CO)CCC2)cn1 570185420 VCYVHXROBAPCRN-IBGZPJMESA-N 416.503 1.227 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 570811106 NEGRTYVOSRZKSP-KRWDZBQOSA-N 405.524 1.824 30 10 HDEE CCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 573971599 WJGAJDHYOXGVEX-UHFFFAOYSA-N 413.503 1.779 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CN1CCN(c2ccc(C#N)cc2Cl)CC1 574127664 SUCJZVVKHUTAHW-UHFFFAOYSA-N 408.915 1.385 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NCc2ccc(C#N)c(OC)c2)cn1 583854356 MUKZJAOCMGWALT-JYRCXFKTSA-N 401.492 1.798 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 609146456 DJXPXQNYEZMRKD-RXVVDRJESA-N 414.550 1.557 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c1 616018027 JKGWDEGUHWNNRX-HNNXBMFYSA-N 420.516 1.851 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)n(C)n1 618200770 YBEFVEZIXZFQPB-IBGZPJMESA-N 422.537 1.932 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2)nc1 619817047 BEWZHWASQCFICM-FXAWDEMLSA-N 413.522 1.789 30 10 HDEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669815750 JLMXJHLKUDILRX-JXFKEZNVSA-N 409.538 1.823 30 10 HDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N2CCC(c3ccccc3)=N2)cc1 726788386 KHXJYJAJVMXOCK-UHFFFAOYSA-N 400.460 1.364 30 10 HDEE Cc1ccnc(S(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1 733864873 NZUWXEQHPMTTJR-UHFFFAOYSA-N 400.460 1.922 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1 741971400 JJHHZTUSEUVPKO-UHFFFAOYSA-N 411.439 1.674 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746234714 HBHMXYNYOAWXNL-ISLYRVAYSA-N 406.483 1.761 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccncc2)c1=O 758069991 YQFDJDABXBUQLY-UHFFFAOYSA-N 401.447 1.333 30 10 HDEE COc1ccc(OC)c(CCCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 759416332 AWQAEBRSFSFQIK-HNENSFHCSA-N 402.451 1.462 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 760301762 YASNXCZFRLIKBB-GJZGRUSLSA-N 421.498 1.697 30 10 HDEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 763680663 AKRNLDCBFSTTJQ-INIZCTEOSA-N 412.515 1.853 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1-n1ccnc1 764759713 FROUSNVWWBOAJB-CQSZACIVSA-N 410.459 1.122 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(=O)O)CCC1 767177187 DBWARHBPSPOKSO-AWEZNQCLSA-N 407.492 1.511 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cncs2)c1=O 767871643 GFTPFRUOPQTHAY-UHFFFAOYSA-N 409.492 1.947 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 773569941 UALXNDXFIQXHAU-RDJZCZTQSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774151619 AKAGFABQNNYFJU-SFHVURJKSA-N 403.504 1.123 30 10 HDEE COc1ccc(CNC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N 775450760 VZQXZEHZWZMYMC-KRWDZBQOSA-N 417.510 1.917 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2C)cc1 776673706 SMDGZFANRDEULX-GOSISDBHSA-N 400.456 1.852 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)NC(C)=O)cc1 781602032 PCQGSRMRQLYLDH-KRWDZBQOSA-N 419.434 1.778 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c(=O)n(C)c1=O 782841751 GQNZQQLTKUKMDJ-UTCJRWHESA-N 410.821 1.447 30 10 HDEE CC(C)n1nnnc1-c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 784703285 QZQUIXYUPLZXNU-HNNXBMFYSA-N 408.466 1.058 30 10 HDEE COc1ccc(CNc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)cc1C#N 786793421 UFTUVDVVGHDZJJ-UHFFFAOYSA-N 400.460 1.445 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(=O)n(Cc3ccccc3)n2)n1 788814043 RZOMBMKTZWKKFY-UHFFFAOYSA-N 405.458 1.410 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804162152 FPVSXZHFGFZCJA-AWEZNQCLSA-N 404.442 1.687 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 807923588 FYKAJVHKDAHVJU-YWZLYKJASA-N 403.442 1.981 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 811471977 QAJONGKVLKDSHN-KRWDZBQOSA-N 408.474 1.696 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 811525658 WKUPLDXGFZRLPL-IBGZPJMESA-N 413.499 1.674 30 10 HDEE COc1ccc(N2CCN(CCNS(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 813668543 QPWMETJRWWOLRE-UHFFFAOYSA-N 415.519 1.371 30 10 HDEE CC[C@@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916954531 ISTZXZQCCDRHIA-CJNGLKHVSA-N 406.446 1.991 30 10 HDEE COc1cc(OC)c2c(c1)N(CN1CCN(c3ncccc3C#N)CC1)C(=O)C2=O 917423542 XBHXGDPSDRSXMN-UHFFFAOYSA-N 407.430 1.279 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1 1124255755 IOEXVMGPMBOVAQ-KBPBESRZSA-N 405.480 1.514 30 10 HDEE CN(C)CCN1CCN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CC1=O 1130707004 HBFBKPOMDPWQSL-UHFFFAOYSA-N 406.486 1.983 30 10 HDEE C=C[C@@H](O)C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1136768540 GPQPFDGNKPPYST-QGZVFWFLSA-N 414.319 1.711 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(Br)cn2ncnc12 1137592017 UWJLVEZCIPREGY-UHFFFAOYSA-N 403.244 1.374 30 10 HDEE CC[C@@]1(C)NC(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1139682874 HKNRBYZPNFTFSJ-FPASLXKHSA-N 419.482 1.525 30 10 HDEE C#CCCN1CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1142803997 UKWGQOVWAYNZNI-NDEPHWFRSA-N 411.568 1.302 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148393308 WLHPVRIGLKVDKO-UHFFFAOYSA-N 406.402 1.001 30 10 HDEE CN(C)CC#CCNC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1151236557 KEJPAUHCKGYQDG-UHFFFAOYSA-N 405.442 1.445 30 10 HDEE COC(=O)[C@@]1(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1S(C)(=O)=O 1176825410 DDJSTOHWIBGESS-TXPKVOOTSA-N 408.476 1.054 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(F)(F)F 1179904736 ORNIDYGPXGSQAJ-AAEUAGOBSA-N 407.414 1.179 30 10 HDEE Cn1c(=O)[nH]c(N(CCCNC(=O)OC(C)(C)C)CC2CCCC2)c(C#N)c1=O 1186397027 OANOCPMVNAGYSB-UHFFFAOYSA-N 405.499 1.857 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](CC#N)C2)c(OC)c1 1192432905 HTCNEDWWGILVRU-ZDUSSCGKSA-N 401.510 1.771 30 10 HDEE C#C[C@@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(Br)cc1 1200434974 BEUYHAWXNMXOKH-CYBMUJFWSA-N 405.256 1.625 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CS1(=O)=O 1230717045 DDKYLBNZKPOWHC-RDTXWAMCSA-N 418.519 1.884 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 1251788594 COZGTSBHUKUKJU-ZZEZOPTASA-N 417.510 1.383 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(C#N)nc1 1278103886 NYJTWSPRWHRPRM-UHFFFAOYSA-N 414.487 1.718 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1286299883 ZOTJMQCFKABBKO-ZFWWWQNUSA-N 405.549 1.803 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1286410488 UEVNDWAYYZMEJJ-IBGZPJMESA-N 424.526 1.431 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC(=O)NCCc2ccccc2)CC1 1286479819 YAGRQLWUPUULIT-UHFFFAOYSA-N 408.550 1.591 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286699618 VFWLTNNRVBRVSO-LSDHHAIUSA-N 400.487 1.280 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1286714874 UUBUDYGSKPHCKB-ZDUSSCGKSA-N 416.511 1.344 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1286761214 YEAVQHROUCXLTB-MRXNPFEDSA-N 407.540 1.404 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCOC1 1286768686 CVJPRYCGPUNFII-NRFANRHFSA-N 412.494 1.307 30 10 HDEE Cc1c(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cnn1CCC#N 1290583381 AJCZAZQMBPLCMN-UHFFFAOYSA-N 404.478 1.589 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCCN(C)C)C2 1290676214 ZFCOGRWATYHFNI-UHFFFAOYSA-N 421.509 1.315 30 10 HDEE N#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1293713007 NKPGWGYSJLLWCQ-GFCCVEGCSA-N 402.929 1.222 30 10 HDEE CN(Cc1ccon1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298471787 LJDOVHPUJUJPRV-LBPRGKRZSA-N 402.436 1.318 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1300327485 CJXDRTRMSGGNKN-NVXWUHKLSA-N 403.508 1.566 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC(F)(F)CO1 1300441638 VECUOAQAWJGYPG-CQSZACIVSA-N 410.446 1.842 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1300487272 IPCYIPXOJNXBHK-DLBZAZTESA-N 413.503 1.312 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NCC)CC1 1300895732 BCMNVYHNWZATTN-XLIONFOSSA-N 420.558 1.054 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300956515 ACNSQAHFYJKODL-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301034100 LWQBKCGPXJKDPR-UHFFFAOYSA-N 405.890 1.199 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)NC2CC2)CC1 1301130293 VRLQGBJRVURPGB-UHFFFAOYSA-N 400.527 1.862 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOCC3(CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1301520936 UJAARUFZMJRJKG-OAQYLSRUSA-N 419.526 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CCn1cccn1 1301589812 XSBOQGCNDZDUPJ-INIZCTEOSA-N 408.528 1.106 30 10 HDEE Cc1cccc(CN2CCO[C@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)C2)c1 1302562923 UKXHNLREFHSLGE-OAQYLSRUSA-N 406.486 1.614 30 10 HDEE CC1(C)CCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1303956744 FVUMXISBNFYHTO-VQTJNVASSA-N 404.490 1.897 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2ncc(Br)cc2C#N)C1 1306951472 IFCBEUIYAODHGA-LBPRGKRZSA-N 409.284 1.954 30 10 HDEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N1CCC2(CC1)CC(=O)C=CO2 1308116728 JCJTZWYMIPABEM-CABCVRRESA-N 421.519 1.237 30 10 HDEE C=CCCn1cc(CNCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1 1308519900 YMAXDHLPHLKQIJ-INIZCTEOSA-N 413.544 1.368 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Cl)cc(Br)c1 1309337333 GUJMYLWAUGZPEO-UHFFFAOYSA-N 402.719 1.982 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccccc1 1312941524 ZXXPUKFWJLLWNP-SFHVURJKSA-N 412.515 1.801 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](c1nccn1C)C(F)(F)F 1313434393 PVEGQLZADGMXPL-AAEUAGOBSA-N 408.388 1.605 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)F)CCOC1 1314139085 GIMZNJSPVBKMMA-DYVFJYSZSA-N 401.414 1.288 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)OC 1316294003 NNJJECFCFPGQSU-ONIAQPFYSA-N 404.515 1.214 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCc1nc(CC)no1 1347034808 LSWZTSOIWBLNHO-NRKLIOEPSA-N 402.495 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1358887122 PWFJQPQSWQUISW-DZGCQCFKSA-N 407.478 1.631 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cnn2ccccc12)[C@@H]1CCS(=O)(=O)C1 1358955176 GDAHRRUGUIIMIS-QGZVFWFLSA-N 412.519 1.724 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1358961937 HIOOHSNPSUKSIE-IAGOWNOFSA-N 424.567 1.962 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1358962975 ZWTHVZFGQSYBQV-LSDHHAIUSA-N 405.524 1.046 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358963242 FCELJODZEPCEFX-HUUCEWRRSA-N 421.548 1.108 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358963447 IFBWLYSEOWXWRA-CQSZACIVSA-N 421.489 1.351 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358963938 QFNGLRAZUNEJOM-IRXDYDNUSA-N 416.503 1.163 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1359023441 KTRPREBXHUVVLH-UWJYYQICSA-N 415.494 1.433 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359055806 PUTRQWNLLHZYSU-CVEARBPZSA-N 403.552 1.727 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359149708 GROXYCJRNKHHAA-OCCSQVGLSA-N 420.905 1.556 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359207017 WMEYMHCLQSAOCT-JXFKEZNVSA-N 405.499 1.927 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1359291280 KTCLHUWXFDUXAA-HZPDHXFCSA-N 418.542 1.502 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCOC1 1360677859 HPMHUPDCNYSZTE-GOEBONIOSA-N 410.544 1.445 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC(=O)N2CCOCC2)C1 1360784612 IFHHJHRZWJXARK-NRFANRHFSA-N 409.494 1.253 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1437440412 JVYLURQZRZRLHM-OAHLLOKOSA-N 408.520 1.844 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1439108093 UQOLNLYWFLRNTI-OAHLLOKOSA-N 408.499 1.311 30 10 HDEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 1441010199 MESBMSNIUUCVJO-SFHVURJKSA-N 405.520 1.986 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1443909749 BMOCRBIXJOZEMK-RQMAVPSVSA-N 413.540 1.713 30 10 HDEE CN(C)C(=O)O[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1449854171 NGCXULSQKAUGDI-AWEZNQCLSA-N 422.507 1.195 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](C2OCCO2)C1 1455875522 FKWAQNFOFFWFIC-HNNXBMFYSA-N 421.519 1.507 30 10 HDEE Cc1ccc2nc(CSCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cn2c1 1456618829 QQWTYLRGWPCFCW-KBXCAEBGSA-N 404.517 1.273 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1460374858 OASDJCSCILTVGM-FUHWJXTLSA-N 400.435 1.477 30 10 HDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1469050234 FJLFLWZVZIUFOI-UHFFFAOYSA-N 417.462 1.659 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1470032980 NFCHGURDYQVADD-QGZVFWFLSA-N 423.477 1.171 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN(CCF)C3)C2=O)cc1 1472589498 QILHTPCWAZMSFL-DOTOQJQBSA-N 401.442 1.313 30 10 HDEE Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1492789935 NTSNPQUQRAGPHY-ROUUACIJSA-N 406.556 1.921 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1503371723 MOLNEYZWRBRDPJ-JOCHJYFZSA-N 423.521 1.206 30 10 HDEE COCCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505043712 GGFRFJVMXHUCMG-OALUTQOASA-N 418.542 1.749 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CCO1 1505323407 YDEIPTWAUXOCAB-FUHWJXTLSA-N 416.526 1.740 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1507600387 YSGFSGWWOUKMOL-DYESRHJHSA-N 403.527 1.839 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634568 ZEDOVEMBTDKNDB-FXAWDEMLSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)n(C)c1=O 1507659327 QJHDEIUNHSYCCH-OALUTQOASA-N 409.490 1.130 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCN(C)C1 1507677174 VJBMRTULOXMPRF-PWHSHALESA-N 413.566 1.726 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC1 1507712432 XZWIFGYYFLAJLQ-UHFFFAOYSA-N 410.522 1.215 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nccn2C(F)F)CC1 1507731489 JWNTWQFXHMXSBO-HNNXBMFYSA-N 405.453 1.915 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)Nc2ccccc2)CC1 1507733467 ZNOINPVCNZALSB-LJQANCHMSA-N 408.506 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@H]2OC)CC1 1507739950 WFZNVUYMEDXCSM-GUDVDZBRSA-N 415.538 1.563 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)CC1 1507885163 TZKXIQHIHNHWCI-CQSZACIVSA-N 408.553 1.739 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508061740 LZEDOILZEYUMSP-SFHVURJKSA-N 412.469 1.961 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1508072496 FZTUUNZMQTZJLI-GOSISDBHSA-N 403.575 1.308 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1508146922 DKTXDAFJLBLSPQ-QGZVFWFLSA-N 420.583 1.786 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508159398 NJPSLWUJLWNDEL-HOTGVXAUSA-N 421.567 1.923 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1508816395 QHWKXJJTVZHSFH-JOCHJYFZSA-N 423.521 1.503 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1510285064 GVIOCQBZRRWTAU-UWJYYQICSA-N 415.542 1.472 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC1 1513401984 ZXTOJRNJBFGYQY-MAUKXSAKSA-N 415.542 1.410 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCC(OC)CC2)CCOC1 1516219165 CXRMIVNXFWUYJE-XVAHUTHZSA-N 419.526 1.864 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1518750773 PNAVPYDGKYZQLV-INIZCTEOSA-N 423.456 1.313 30 10 HDEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519397142 ZXHPPRAOMONAEI-ZWKOTPCHSA-N 404.515 1.359 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521136431 FLFZZDNMXCAHAN-FUHWJXTLSA-N 412.469 1.443 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1ccoc1C 1522160260 XVKVJRMWOIUFST-MWIANEHASA-N 401.463 1.157 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[S@](=O)CC(F)(F)F)ccc1F 1528441758 VHADFMFUIGTHDC-VWLOTQADSA-N 416.418 1.331 30 10 HDEE C#CCN(C(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1530297697 MKSAYBGGZXNEDY-GFCCVEGCSA-N 413.521 1.430 30 10 HDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCCC1 1533726966 DNJXPIMXOWGJIU-UHFFFAOYSA-N 409.508 1.738 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c1 1534269218 YKDFFTARSPXZGK-VFWWHICCSA-N 422.507 1.251 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1539257321 IDAAEJKQQFZISW-NRFANRHFSA-N 423.498 1.049 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOC(C)(C)C)CC1 1539477746 XLSOMBQJMRQQKF-UHFFFAOYSA-N 411.510 1.516 30 10 HDEE CN(C)CCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1540547446 JTXWEZSKXVLGTB-UHFFFAOYSA-N 420.355 1.463 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2cccn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367774 MWJIPOJMGLVHAW-KRWDZBQOSA-N 419.407 1.993 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1555198599 KXZPHJCVMJSDNO-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COC[C@@H](Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1555252740 CDBNJEKPGDIGMG-GOEBONIOSA-N 412.498 1.194 30 10 HDEE C#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1556832803 IXWUFYUYTTYZAP-IRXDYDNUSA-N 418.494 1.856 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)c1 1557318888 YJOPHKWBWJFACR-MOPGFXCFSA-N 404.532 1.713 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1558603959 DOLNWCRSMHEERH-XJKSGUPXSA-N 405.501 1.887 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1559942344 UNVKLYYLBIVYHH-BEFAXECRSA-N 409.483 1.350 30 10 HDEE N#C[C@]12CN(CC(=O)N[C@H](c3ccccc3)c3nccs3)C[C@H]1CS(=O)(=O)C2 1560193592 GNZBYLQRVHVSMO-KVSKMBFKSA-N 416.528 1.219 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1)C(=O)OC 1570218878 LOBOEQMRJPRFLP-MRXNPFEDSA-N 406.485 1.521 30 10 HDEE CS(=O)(=O)C[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1583599637 HWXRHXVNOASMGL-NSHDSACASA-N 401.282 1.593 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1586612626 WULNULAYNXTDSS-LSDHHAIUSA-N 415.918 1.918 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OCCN3CCCC3)CC2)c1 1587136832 UEFHRMSAJFURMS-UHFFFAOYSA-N 423.510 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(OC)CCOC1 1588113282 JJCKRQJXOKQZSN-QFIPXVFZSA-N 410.474 1.841 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@@H]1CC 1589567886 GOVFVYSASWXMGM-BXWFABGCSA-N 416.526 1.097 30 10 HDEE Cn1ncnc1C1(O)CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1594069169 RMHJTVFXSIHMON-CQSZACIVSA-N 406.487 1.212 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1594720397 KZAXYGJJPLSPAG-ULQDDVLXSA-N 418.542 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1595715272 UPYUPDGOUQMPKO-MSOLQXFVSA-N 418.542 1.123 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1595866499 NBNJKLVNYATUDA-UHFFFAOYSA-N 415.567 1.470 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@@H]1CCCOC1 1603346005 LZVUTCPTXZKGOY-DZGCQCFKSA-N 403.464 1.412 30 10 HDEE CC/C=C/Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614283795 WRBQINWCDHSUCU-FUTAKVPZSA-N 423.525 1.436 30 10 HDEE NC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@@H]1S/C(=N\c1ccccc1)N2Cc1cccs1 1616175300 UMDAHPJYDRFKHO-BGYMTUHNSA-N 403.529 1.949 30 10 HDEE CN(C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1617697464 ITBPCQAUXOCDFH-LJQANCHMSA-N 417.445 1.873 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1618070891 GRWDCRXTXPXDPW-QWRGUYRKSA-N 401.282 1.734 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)n1 1618760245 ZXLFMBQCPGUCRT-KRWDZBQOSA-N 417.487 1.116 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC3(CC2)CC(=O)C=CO3)CCC1 1620625781 BNGSQPHYMNQVNF-MRXNPFEDSA-N 400.541 1.326 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)cc2)C1 1625807605 FJOFCUFFNSWKJE-INIZCTEOSA-N 407.492 1.712 30 10 HDEE NC(=O)C1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1626628093 VEZQSKXLYHOWIR-XUTLUUPISA-N 411.462 1.243 30 10 HDEE CCOCCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1628524849 NIQYDHPPKSULNX-INIZCTEOSA-N 404.898 1.745 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)n(C)c1 1628663033 WCTNCUFJVJQQHV-IBGZPJMESA-N 418.519 1.733 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCCCN(C)C3=O)c(C#N)c2N)cc1 1629236145 KGCJWPDIRBIACV-QGZVFWFLSA-N 408.506 1.942 30 10 HDEE C=C[C@H](CC)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629999368 WHWFXZDGIGLRCA-OAHLLOKOSA-N 415.556 1.682 30 10 HDEE Cc1ccc(C(=O)NCc2ccccc2S(C)(=O)=O)cc1S(=O)(=O)NCC#N 1630013433 OVFIVQFTIROIRN-UHFFFAOYSA-N 421.500 1.130 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CC(=O)NC2=O)cc1 1630687296 OSPHJYSWGHLVPX-UAHGDZPKSA-N 420.491 1.271 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(OC)(OC)c2ccccc2)c1 1630854351 NILQMKHTOKEULK-UHFFFAOYSA-N 402.472 1.474 30 10 HDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1C[C@@H](C(N)=O)C1 1631793743 FGQHRPVSRLPKOW-OKILXGFUSA-N 406.508 1.008 30 10 HDEE N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F 1631966129 IEXPLKRTYFZIQR-UHFFFAOYSA-N 424.498 1.470 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2ccc(O)cc2)c1 1632471650 CMGURHFQRCFKHW-GOSISDBHSA-N 401.440 1.833 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@@H]1C1CC1 1633550063 JYZDJCGOUYKRTP-HUUCEWRRSA-N 417.466 1.115 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1634986123 BFPPHABGOWVPTO-MJGOQNOKSA-N 407.486 1.470 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1)C(=O)OC(C)(C)C 1636577118 IHJVMSXIYJOFBP-INIZCTEOSA-N 403.483 1.011 30 10 HDEE COCCOc1ccc(CNC(=O)Cc2ccc(Br)cc2C#N)nn1 1637994966 WXQIYRLJBBLHIY-UHFFFAOYSA-N 405.252 1.995 30 10 HDEE C[C@@H]1NC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)=NN(c2ccccc2)C1=O 1638906301 OXLIFENVDNOMOQ-RDJZCZTQSA-N 417.473 1.695 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1639270365 VMWGHWDXCNLKSY-OLMNPRSZSA-N 402.495 1.869 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C(C)C)C2(CO)CC=CC2)cc1S(=O)(=O)NCC#N 1639381595 KGDZBLMNGIAQHO-SFHVURJKSA-N 405.520 1.880 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(CN3C(=O)c4ccccc4C3=O)ccc2OCC)C1 1648355626 RCGVXVITLCOOGQ-UHFFFAOYSA-N 404.422 1.702 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)OC 1652012553 BNIWVFWQOXCVTG-WCVJEAGWSA-N 410.536 1.907 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(F)cc1F 1652135809 BGALAISCFYYBBP-UHFFFAOYSA-N 419.384 1.693 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1656152492 TUUVSIQYGKTWAY-UHFFFAOYSA-N 400.522 1.132 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1656411854 WHIRNELAKVTOER-MRXNPFEDSA-N 409.508 1.305 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1658670495 HAIFQXAYUSJTMB-VQTJNVASSA-N 418.582 1.733 30 10 HDEE COC(=O)c1cccc(CN2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)c1C#N 1659462366 PAFYKRFBMNRHKT-NRFANRHFSA-N 419.478 1.433 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1666684322 LQFVKSQRLXWPGR-ZZCKCESHSA-N 409.508 1.950 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1670465721 OODMVPIQOHDBFN-UHFFFAOYSA-N 422.322 1.001 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)Nc3ccc(Br)c(C#N)n3)C2=O)n(C)n1 1672168735 GSSWPFUKWGZUBK-NSHDSACASA-N 418.255 1.685 30 10 HDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCC1 1673213289 NDUMBHYRWWHYGO-UHFFFAOYSA-N 407.492 1.784 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1)C1CCOCC1 1684035293 IDKKGFRVAGYDGG-RDJZCZTQSA-N 405.499 1.423 30 10 HDEE COCCOC1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CCOCC1 1686530485 GVTZDDFUZYVEHE-UHFFFAOYSA-N 402.495 1.602 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)C 1689839518 IHVFMOBHZOSJOL-HNNXBMFYSA-N 407.482 1.151 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1689948728 DLFNFJPUUHGNGO-MUUNZHRXSA-N 422.580 1.385 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1689973865 TWQBNGVQFJOTJQ-UHFFFAOYSA-N 408.462 1.047 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689991223 YOFIRZDIWSNVCQ-MRXNPFEDSA-N 407.540 1.041 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1690146140 GWYGEZHPIWSCBM-ROUUACIJSA-N 415.538 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C)n2)CC1 1690146488 OXRHNAXQTSMXAK-LJQANCHMSA-N 422.533 1.694 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690315993 RZJIMYBRLKRAFH-GOSISDBHSA-N 411.510 1.413 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690648078 DCUUIVACVVUGMJ-HNNXBMFYSA-N 420.514 1.316 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(F)F)C1 1690678115 LJOKPLPBUOIFEL-YCPHGPKFSA-N 413.469 1.786 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)CCOCC1 1692779018 AUFOSUGJVCJTLO-DYVFJYSZSA-N 414.507 1.147 30 10 HDEE Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1693097438 SOTSPBPDQKYLRT-JXFKEZNVSA-N 400.458 1.670 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CC=CCC1 1694739533 QXMYUFYSRMWLCU-KRWDZBQOSA-N 407.526 1.479 30 10 HDEE CS(=O)(=O)NCCn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1698319365 DTKCKTJITAHAIV-LJQANCHMSA-N 420.514 1.445 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705523726 WXTIQLPYMCIZGM-IERDGZPVSA-N 410.478 1.723 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1705566708 PNNGZWDWFJOBOD-IRXDYDNUSA-N 420.560 1.827 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1705604008 CPZCIUUARFJKQA-SUMWQHHRSA-N 411.553 1.317 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC 1705624439 BESKALFQFXKDPY-UHFFFAOYSA-N 401.492 1.337 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(-n2cncn2)c1 1705628906 SEDYSYJTTQULRO-SFHVURJKSA-N 407.478 1.497 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2C[C@H]2CCC(=O)N2)CC1 1705643206 WKOMMVZCGBMUMR-LJQANCHMSA-N 422.533 1.453 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(COC)CCC2)CC1 1705648504 UBVQVZSZYNREJO-SFHVURJKSA-N 415.538 1.565 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705898300 HPGNMXVDHBYRCW-OKILXGFUSA-N 406.874 1.146 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl 1705901108 ANMGFCGSBPOEJS-HNNXBMFYSA-N 402.886 1.821 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCN(C)C 1706405444 MXZWVSVVKIHISH-UHFFFAOYSA-N 413.526 1.590 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCc1ccncc1 1709136932 CHIRMLZTECFEOD-UHFFFAOYSA-N 405.510 1.718 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2cnn(C)c2)C1=O 1711271243 DMCXDFSBCWLUSI-HXUWFJFHSA-N 406.450 1.684 30 10 HDEE CN1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1711273785 HIVAPUQWHCJYLJ-OAQYLSRUSA-N 424.509 1.122 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722371098 HBVGWIUTVMRDRB-IEBWSBKVSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1722380665 UIYGVEAPTFWWQO-QFIPXVFZSA-N 404.474 1.426 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CCC1 1722401285 RPDBXUOLDOYHRG-NDEPHWFRSA-N 401.536 1.165 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1722401990 GEGQZWBSQZNGIT-UHFFFAOYSA-N 407.482 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CCCO1 1722427693 RRWJFPSSYNDJIZ-FQEVSTJZSA-N 417.535 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(C)c1 1722429294 PKXDFGBCDDMNJD-MRXNPFEDSA-N 408.549 1.684 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1722434049 KWTRDJMOKKVGIM-UHFFFAOYSA-N 401.478 1.241 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(OC)CCOC2)CC1 1722445293 ONOFFLUSODBINY-JOCHJYFZSA-N 424.505 1.111 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)CC1 1722453205 PFBRMVMTELPLST-UHFFFAOYSA-N 402.568 1.555 30 10 HDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722578913 COMXLDXUNMYZAM-RDTXWAMCSA-N 406.962 1.972 30 10 HDEE C=CCOc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCNC(=O)C2)cc1 1722704027 ALZQZDRNUUYUCL-UHFFFAOYSA-N 404.474 1.813 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722742666 BQBHBWDKNDONAZ-ZIAGYGMSSA-N 407.496 1.434 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1723620551 JBNICHAKDMWIDH-QGZVFWFLSA-N 412.494 1.421 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC2CC2)CCOC1 1723665393 VBJOYVZTBRSAJN-MGPUTAFESA-N 404.515 1.583 30 10 HDEE CC1(C)SCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1724042111 SFYYQPIGLBKWJU-CABCVRRESA-N 404.540 1.775 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(F)(F)F)cn1 1729571437 WSBYRUCTJJLUAY-UHFFFAOYSA-N 417.399 1.834 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCCC2)CCOCC1 1740612581 DMRBVRUGYPLRSA-UHFFFAOYSA-N 411.554 1.854 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(N)=O)c1 1740644909 YLZIWDIVCSPREQ-UHFFFAOYSA-N 420.517 1.807 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1740715810 OHPAFBTXLHHEMA-MRXNPFEDSA-N 401.540 1.258 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCCN(C)S(=O)(=O)CC 1740729069 YWZJFEAXXOIOCL-HXUWFJFHSA-N 418.567 1.947 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)OC)C1 1740759416 CGFWZUPEAIGUDE-HPFXQQBRSA-N 417.510 1.600 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCCN(Cc2nc([C@H](C)OC)no2)CC1 1740787456 IIZAYUCBCBVLAD-INIZCTEOSA-N 419.530 1.982 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCOCC1 1740789903 MRNFEDMYAYWBSB-UHFFFAOYSA-N 410.482 1.740 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1740960878 DYYFGHWQKQLTOQ-UHFFFAOYSA-N 416.913 1.759 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1741123950 CIUMLCIZSFFPBU-CUGJGTHOSA-N 424.571 1.425 30 10 HDEE CCOC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1747293142 IIWUAMLNMDOLPZ-KBPBESRZSA-N 422.511 1.264 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)cc1 1748826362 STSYDXPJKBISFW-HNNXBMFYSA-N 419.938 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCN(C)C1 1748888967 COWYSOFGLYUUPL-HSZRJFAPSA-N 423.517 1.492 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CC1 1748917397 WZZYIBCGZLKADI-GDLZYMKVSA-N 410.507 1.291 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749037241 CFRDUAFGCXVUMS-MSOLQXFVSA-N 416.551 1.640 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749247521 QAYRFTXGBOSLTI-KRWDZBQOSA-N 413.931 1.282 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1749458130 YTRRIXFNLSVQMZ-KRWDZBQOSA-N 419.526 1.944 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1749471423 NEKXXOZWQFCLMM-UHFFFAOYSA-N 405.524 1.839 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H]2CCOC2)CC1 1749676368 NYPFCIVXRWWPHV-IBGZPJMESA-N 410.522 1.819 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)cc2)C1 1749705518 IKYIVUAGDOQYJV-SFHVURJKSA-N 407.478 1.607 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC)C2)C1 1749712977 OEEOMDPYNRSFNG-KZNAEPCWSA-N 423.583 1.303 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1749957199 OEMBSKCXBIJEQM-GOSISDBHSA-N 407.478 1.200 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760135442 WAIIDAWBEJEVBK-UHFFFAOYSA-N 422.537 1.283 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nccs1 1760248489 AILUTFRELMKLKM-OAHLLOKOSA-N 423.564 1.356 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CC(=O)N1CCOCC1 1760296450 QVTCJBZRLBHGCR-HSZRJFAPSA-N 423.517 1.728 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1760468990 PWDHAFDVPYHDMO-MDOVXXIYSA-N 407.515 1.822 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760527120 NFNXFGOVUDYBBN-HKUYNNGSSA-N 416.570 1.470 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760819339 BDNLZVKUVJJOQW-SJORKVTESA-N 410.478 1.450 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N(C)C 1762673709 BWZJACKVBSVYPT-KRWDZBQOSA-N 412.494 1.627 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1764679973 CQFNMWIMEBITNH-SFHVURJKSA-N 409.494 1.400 30 10 HDEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766751143 NGXCHMAYULRVSS-QJOMHNHYSA-N 406.556 1.117 30 10 HDEE CN(C)CCOCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766939284 ZPZCEIXDMPVGLE-HXUWFJFHSA-N 415.586 1.766 30 10 HDEE COCC(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769190524 CSUIMOCJSFTSGD-OXJNMPFZSA-N 407.515 1.720 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1769273225 STDWUMIGFFTUOL-JXFKEZNVSA-N 414.441 1.832 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1769365853 GUTIINSZNNBJAE-INIZCTEOSA-N 412.878 1.590 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1770159851 OPWFRWDGHMDEPF-HDICACEKSA-N 401.467 1.330 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1nc(C)cc1C 1771222460 IJUSNJHGCQROKT-ZWKOTPCHSA-N 417.514 1.635 30 10 HDEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC3(C#N)CCOCC3)n2)cc1OC 1850779609 JRTPXRDKNGKRBW-UHFFFAOYSA-N 412.446 1.364 30 10 HDEE N#Cc1cccc(C(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1851589969 LTWDNWQQIXBBHB-WMZOPIPTSA-N 407.401 1.866 30 10 HDEE COc1coc(CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1=O 1852141499 ZOWMWRSNSLBSMS-LJQANCHMSA-N 400.431 1.816 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)c2nccc(N3CCOCC3)n2)cc1 1852799274 AWIIWVDAENOEJQ-UHFFFAOYSA-N 405.418 1.631 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1852968854 OIACHHHGCRYSOL-GOSISDBHSA-N 411.955 1.955 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1853666458 CAUKMFZVVNZNNT-SFHVURJKSA-N 419.547 1.172 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1=O 1853744059 XIMHHVVRJKJSMW-CQSZACIVSA-N 410.492 1.666 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1853846789 MMAZFIBTGRYYFZ-IRXDYDNUSA-N 416.547 1.862 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C1 1853953246 UQHPYFLEEKOBKO-NSHDSACASA-N 407.345 1.208 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCC(Cn4cncn4)CC3)C2=O)ccn1 1854106905 GDKWXFWEZWCWFH-IBGZPJMESA-N 407.478 1.478 30 10 HDEE CC(C)c1ocnc1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854291894 OWBOGTOJMVCCMW-INIZCTEOSA-N 409.446 1.959 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CC2CC(F)(F)C2)C(=O)C12CCCCC2 1854396397 UCMQTWMBFXUYQN-UHFFFAOYSA-N 403.451 1.649 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3O2)C(=O)C12CCCC2 1854421813 WDKPMGYMUDCHCS-KRWDZBQOSA-N 417.487 1.217 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(N3CCCCCC3)cc2)CCN1S(=O)(=O)CC#N 1854709892 PUYYYAMKNYXUBV-INIZCTEOSA-N 418.519 1.593 30 10 HDEE Cn1ccc(C(=O)N2CC[C@@H](N3CCC(COc4ncccc4C#N)CC3)C2=O)n1 1854866078 UAMDLBWBLXLIBA-GOSISDBHSA-N 408.462 1.219 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1855083461 PICGTROOHLHDDS-ZWKOTPCHSA-N 401.511 1.736 30 10 HDEE Cc1cc2ncc3c(n2n1)CCN([C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1=O)C3 1855482076 GKXSXQLBQRRJJL-SFHVURJKSA-N 401.430 1.104 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C[C@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)cc1 1855576567 OQRGHSGZILAXNK-VQIMIIECSA-N 407.474 1.807 30 10 HDEE Cn1nncc1C(=O)N1CCCC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O 1855711957 LLSVYKVZLPPNBH-GOSISDBHSA-N 406.490 1.894 30 10 HDEE Cc1nnc(CN2CCC([C@@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)n1C 1856056289 ARCKANKLODATQH-LJQANCHMSA-N 406.490 1.896 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3ccc4ocnc4c3)C2=O)C1 1857111738 JBQOKAAXXRTJPW-KRWDZBQOSA-N 403.398 1.599 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857116484 IAVPVSSAFAWBFA-QGZVFWFLSA-N 411.849 1.814 30 10 HDEE C[C@@]12CCC(=O)N1CCN2[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1857117471 PRIIUELJBBNTRC-UZLBHIALSA-N 400.866 1.801 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857229701 QXYWQSPOJSGMQZ-MOPGFXCFSA-N 417.550 1.677 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179448 OUTJPPIUPBSZOY-JKSUJKDBSA-N 413.474 1.531 30 10 HDEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1870151371 UQSNDBCYSIYAJD-AWEZNQCLSA-N 423.477 1.991 30 10 HDEE CS(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1889707535 YBPAVNJYDPCWHH-HNNXBMFYSA-N 404.410 1.628 30 10 HDEE COc1ccc2c(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc(OC)nc2n1 1891558610 BTFXJJBZUDJPCZ-ZDUSSCGKSA-N 420.429 1.992 30 10 HDEE COCC[C@]1(NS(=O)(=O)N2CC(C#N)C2)CCCN(C(=O)OC(C)(C)C)C1 2174780368 TYSSQEHHCRPGIF-QGZVFWFLSA-N 402.517 1.082 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174786564 KYTNTUJEFVTGIH-JKSUJKDBSA-N 400.545 1.682 30 10 HDEE C[C@H](NC(=O)N[C@H](C)S(C)(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2203125067 CVWLURXLTPIHIH-UWVGGRQHSA-N 403.335 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548493 QIRWYKZIELCLBP-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822896 JPRFZBRKOXAZKG-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE Cc1nc(=NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)o[nH]1 2267355409 LRZAAQLTEQLSAV-UHFFFAOYSA-N 405.694 1.615 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CNCCSC3)c2)OC1(C)C 2267368384 INGIGTJTDXZYOF-GFCCVEGCSA-N 404.388 1.031 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)Nc3nnns3)ccc2Cl)OC1(C)C 2267465729 YNAXWJHEYXWPEW-UHFFFAOYSA-N 402.694 1.687 30 10 HDEE C[C@H]1CNC[C@H](C)C1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346452 VQRWSXIVHQMYOA-RYUDHWBXSA-N 400.375 1.570 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@]1(C)CCN1 2282408229 GLACUSDQYLZTAS-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCNC2CC2)c1B1OC(C)(C)C(C)(C)O1 2282502130 GYVAHZBQIYOFOS-UHFFFAOYSA-N 400.375 1.694 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282828003 HGJBTMDZGCYOPW-OLZOCXBDSA-N 400.375 1.632 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282841023 RMNZUGPTFGWEFU-CHWSQXEVSA-N 419.399 1.597 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCC(Cl)=C(Cl)C2)n1 2282845642 WWDRGWVXVSJLII-UHFFFAOYSA-N 422.143 1.803 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282846869 QCJJTJZQKYWYOL-VWLOTQADSA-N 402.347 1.390 30 10 HDEE CN(C)[C@]1(C)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848718 QXUNSFWFVBXAAI-QGZVFWFLSA-N 400.375 1.762 30 10 HDEE CC1(C)[C@@H](O)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849199 XRQZSMWBCDKASO-YPMHNXCESA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2C[C@@H]([C@@H](F)CO)C2)OC1(C)C 2282872303 USAVTNJGCDUAMC-LOWVWBTDSA-N 405.322 1.435 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2282875290 NAXITELOUANTRU-HNNXBMFYSA-N 423.340 1.510 30 10 HDEE C[C@@H](CC(=O)O)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284403747 SMGYUHZOASKFQH-JTQLQIEISA-N 404.319 1.067 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)NCCSCC(=O)O)c2)OC1(C)C 2284406052 SWLKDAVHJOUYIE-UHFFFAOYSA-N 401.315 1.082 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NS(=O)(=O)C(C)C 2284413732 NBCQTVOREJPPLX-UHFFFAOYSA-N 403.331 1.311 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2286862715 RJTMROYSMOUETR-RYUDHWBXSA-N 401.363 1.002 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)O[C@@H]2C1 2289381877 GZLMHKVDDVUHED-UMSGYPCISA-N 402.513 1.679 30 10 HDEE COc1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1OC 2296930567 XGERFTWHEJUYTQ-SFHVURJKSA-N 417.414 1.727 30 10 HDEE CC#CCN(CC(=O)O)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2315979195 YQNVTDZDCQXCKA-UHFFFAOYSA-N 406.460 1.193 30 10 HDEE CC(C)(C#C[C@@]1(OCC(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2339703633 RNVXOMNPWABHBO-JXFKEZNVSA-N 423.487 1.742 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363526908 NCKGLYWIWVQSOI-GOEBONIOSA-N 413.565 1.801 30 10 HDEE CN[C@@H](C#CC(C)(C)OC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363542698 WDDYZQXANYTPRW-LSDHHAIUSA-N 402.557 1.816 30 10 HDEE C[C@H](C#N)N1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364019693 PAAOWQDGYLQAOV-MRVPVSSYSA-N 405.094 1.615 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365172110 UJJBVRNLZMPQNN-UHFFFAOYSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)C1 2365172308 XECQIUWFLSCWDW-INIZCTEOSA-N 409.451 1.389 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 2365202105 MJMRWECJAYSILK-KHYOSLBOSA-N 404.573 1.845 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 2365210900 ZTEPLZKFBSKONZ-CLCXKQKWSA-N 400.541 1.285 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCCN1C(=O)OC(C)(C)C 2365211361 LPXXMAHEQOHKPL-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCC[C@@H]1CNC(=O)OC(C)(C)C 2367815473 LUDFXLGQAWAQPQ-SPYBWZPUSA-N 400.541 1.211 30 10 HDEE CO[C@H](C#C[C@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369517519 UQOGVNRAPDJWRP-BBWFWOEESA-N 401.525 1.590 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)CC1 72444568 OGERAPIVZCQTBT-CVEARBPZSA-N 421.457 1.773 30 10 HDEE COC(=O)[C@](C)(O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 96736538 COPFPSCDRINJCJ-GFCCVEGCSA-N 406.132 1.374 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 404881963 AOOWIWVKOYXZDF-JTQLQIEISA-N 403.693 1.942 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 426857926 RMPPRHOHXCHUBK-KRWDZBQOSA-N 413.503 1.405 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)n1 443968424 PNZIUABHHWTKPZ-UHFFFAOYSA-N 421.454 1.702 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 460772510 HRJRUAAWZFCKJX-OAHLLOKOSA-N 407.482 1.554 30 10 HDEE C[C@H]1[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC(=O)N1Cc1ccccc1 466850207 YVXFSPCMYFAUFG-FXAWDEMLSA-N 418.501 1.974 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)ccc21 470532480 OUGBKCXBKMINTJ-QGZVFWFLSA-N 413.478 1.374 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479075823 YOAWZRSTAHIWOW-HOTGVXAUSA-N 423.491 1.061 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)nc1 479610439 MAIOUMWGMAHCAV-UHFFFAOYSA-N 418.501 1.387 30 10 HDEE CN(CC(=O)O)C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 485321644 LHWQLRLUYHIKOJ-UHFFFAOYSA-N 416.297 1.490 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500973803 SDQKNUSOALGBNH-OAHLLOKOSA-N 411.483 1.929 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(-c3nc[nH]n3)c2)CC1 502212560 KXXFDYHXBGOZSO-UHFFFAOYSA-N 422.470 1.490 30 10 HDEE Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)c2)cc1 503627855 KOZQEZAWPSHOND-UHFFFAOYSA-N 400.460 1.232 30 10 HDEE CC(C)CCc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C 507792692 JIECHUJNRUTXDY-UHFFFAOYSA-N 402.524 1.786 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 513727505 KVRKAJPRAKOKSO-SFHVURJKSA-N 406.442 1.084 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)C[C@H](C)C#N 519224317 CSEBMTJAKSARDK-OAHLLOKOSA-N 408.524 1.253 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 522534162 VUSSPMDNJVUYEL-HNNXBMFYSA-N 406.511 1.810 30 10 HDEE CCNC(=O)COc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 531442687 YJJCDRITWZVXTE-UHFFFAOYSA-N 422.489 1.500 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)CC1 533223121 LYGNIKQUUFMYHB-UHFFFAOYSA-N 422.445 1.195 30 10 HDEE CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 539452189 SZMHYCXZBKFWHH-UZLBHIALSA-N 401.486 1.087 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(CN2CCOCC2)cc1 543752840 IOAGKRGRBZIVFI-UHFFFAOYSA-N 411.510 1.470 30 10 HDEE C[C@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 543807402 NTVRBRHMZHAZBS-GFCCVEGCSA-N 404.414 1.881 30 10 HDEE C[C@](CNC(=O)c1ccnc(C#N)c1)(NC(=O)c1ccnc(C#N)c1)C(F)(F)F 551678985 HAXDGUSZICYUSO-QGZVFWFLSA-N 402.336 1.701 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(=O)(=O)CC)CC1 554638303 BYDUGAJZVCIDHC-UHFFFAOYSA-N 405.480 1.332 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(NC(=O)CC3CCCC3)CC2)nc1 554736434 BWOXKJUYVHATLH-UHFFFAOYSA-N 404.536 1.888 30 10 HDEE COc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1C 585227157 OGBJENKVYWMTPL-UHFFFAOYSA-N 401.492 1.860 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(-n2cccc2)n1 585480950 VGFQZMQMUWHFNM-UHFFFAOYSA-N 408.487 1.958 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)OCCOC)cc21 586315607 WHJHUFNKTOGBDC-QYSRSOONSA-N 409.460 1.108 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603801123 YIZCXRXBZGIUFP-AWEZNQCLSA-N 403.529 1.178 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CC1 603805434 ITGVYTAIOQEVND-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@H]2CCc3cc(C#N)ccc32)cn1 618877109 HRCBJVMRELKPRW-KRWDZBQOSA-N 409.446 1.795 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1cccc(Br)c1 727447909 BYWJFOJCRKLNBL-IZIDJEDMSA-N 418.334 1.872 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 729332426 XCSLKAAQIMCBEN-GFCCVEGCSA-N 403.287 1.372 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 732649791 SCNMIHUOKFBZKS-HOTGVXAUSA-N 408.549 1.408 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 732651158 XXAVFHICICPCEW-QGZVFWFLSA-N 402.520 1.674 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CCCS(=O)(=O)C2)cc1OC 733956439 HHNDJZMGNXQGLG-MRXNPFEDSA-N 412.508 1.918 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CCN1C1CC1 742296146 SUCMCVIXUCUEPH-LBPRGKRZSA-N 415.269 1.718 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N(CC)CC)CC2)cc1 746854051 WDWLEHZPPDFJPA-UHFFFAOYSA-N 405.520 1.319 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CCN1C1CC1 750292552 UJGHAKYPUOPHAR-SFHVURJKSA-N 424.530 1.955 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC(C)(C)C3)C1=O 757706236 CJCGFENMOPLCOU-UHFFFAOYSA-N 418.475 1.277 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c1=O)OCO2 758952330 VJTXEKNUUMFROC-UHFFFAOYSA-N 421.409 1.802 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)NC2(CCCC2)C1=O 760401090 RTRIFOXQXMWZKF-CYBMUJFWSA-N 410.496 1.160 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(N2CCCC2=O)ccc1Cl 760541223 AHRPXROFSYGJPT-ZPHPHTNESA-N 402.838 1.723 30 10 HDEE COc1cc(Br)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 765864199 ROBFRMPIHJFAKL-CQSZACIVSA-N 407.268 1.595 30 10 HDEE C#CCN(Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)[C@@H]1CCS(=O)(=O)C1 766879241 NQFLSIYJPWZDJC-GFCCVEGCSA-N 417.413 1.164 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOC[C@@H]1CCO)CCCC2 767596896 DVSADKCDUYXXMS-DLBZAZTESA-N 416.522 1.439 30 10 HDEE N#CCN1CCC(CNS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CC1 769429945 AVQUIIZIELNBFN-UHFFFAOYSA-N 406.508 1.162 30 10 HDEE CCCN(CCC)c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1 771890078 NJNLCWJFWZPPLC-UHFFFAOYSA-N 421.523 1.023 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)cc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 774051069 DKSYZJXLJWRBPA-ZDUSSCGKSA-N 410.448 1.145 30 10 HDEE C#CCN(C(=O)NCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 774171445 FWHLAWLDYSLYOF-CQSZACIVSA-N 404.410 1.916 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774195324 MSUSCYAHZKGQBB-GDBMZVCRSA-N 411.474 1.623 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 776918604 OPAUKADVEOIPCF-NQIIRXRSSA-N 400.454 1.936 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C)OC(=O)[C@H](O)c2ccc(C#N)cc2)cc1OC 780206071 PXZNTVFKPNZYRG-JLTOFOAXSA-N 412.442 1.899 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 780940410 NVZWKCSWQFVBLT-WIYYLYMNSA-N 422.489 1.003 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C)cc1 783697554 LANDCADGOOFBOX-VQIMIIECSA-N 421.413 1.578 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788260687 DLKUPFPSFPYPII-OAQYLSRUSA-N 416.526 1.896 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2Cc3ccccc3C[C@H]2C(=O)OC)n1 789320805 HKHYBGOSUIZKQS-NRFANRHFSA-N 424.501 1.091 30 10 HDEE C#CCN(C(=O)Nc1nc(-c2ccc(OC)cc2)ns1)[C@@H]1CCS(=O)(=O)C1 809927427 DSXUHRCXMABDBF-CYBMUJFWSA-N 406.489 1.868 30 10 HDEE CC#CCS(=O)(=O)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 810777758 OCXXWPXNVKIIKA-UHFFFAOYSA-N 423.292 1.990 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 816695015 SSTSEIAPKXXYEJ-LBPRGKRZSA-N 416.356 1.936 30 10 HDEE CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@H]4CCN(O)C4=O)cc3C2=O)cc1 820185235 KUTKTYWGYURXIN-KRWDZBQOSA-N 409.398 1.606 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)n1 856586822 JKJXWKBKUOUSBO-GOSISDBHSA-N 408.455 1.542 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340948 YRLHIBDMGOYKDU-MRXNPFEDSA-N 413.499 1.877 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(CO)[C@@H](OC(C)=O)C[C@H](O)C(C)=C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 936070099 ZFUOPNBNUOUKMM-YCJUIGORSA-N 420.458 1.524 30 10 HDEE in-vitro Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)o1 1131524055 SGXLGBLXBVRFJP-SFHVURJKSA-N 414.487 1.857 30 10 HDEE CCc1cc(=O)n2[nH]c(NC(=O)Cc3ccc(Br)cc3C#N)nc2n1 1131556325 VYOATEIQYFCAHA-UHFFFAOYSA-N 401.224 1.795 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 1131664126 NUXMPGLBLJTBSA-KRWDZBQOSA-N 408.520 1.456 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCS(=O)(=O)CC3)C2)C1 1136241339 MNBJKKFQDPRURK-SHYRYGCCSA-N 411.524 1.467 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[S@](=O)[C@H](CC)C2)s1 1140457061 KXKGZOUQSRIURG-YZYGWBJASA-N 404.579 1.513 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3cccc(C(F)(F)F)c3)c2S1(=O)=O 1144437942 OBTQFPQQEAKTHH-CYBMUJFWSA-N 413.381 1.531 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)CCOC1 1148015273 MOTJNRHERHCLKX-KNQAVFIVSA-N 412.490 1.003 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1157545602 YHNRSNHKRRIJKZ-NRFANRHFSA-N 424.469 1.826 30 10 HDEE CCCc1ccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 1159490811 UWQVQGGEUMTFJV-OAHLLOKOSA-N 421.457 1.209 30 10 HDEE N#Cc1cccc([C@H](NC(=O)c2nc(S(N)(=O)=O)c3ccccn23)C(F)(F)F)c1 1175354710 QAWOALMCVRPUSK-ZDUSSCGKSA-N 423.376 1.887 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1179870008 ZMXSDVPLWZBBCN-UHFFFAOYSA-N 404.517 1.628 30 10 HDEE C#CCCS(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1195051836 IUKTUKFWFFQAIQ-CQSZACIVSA-N 400.497 1.262 30 10 HDEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 1195294881 BHLWVTSHMBVRTI-LPHOPBHVSA-N 410.561 1.611 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 1196623689 SVAQLJJLQHQVQN-OLZOCXBDSA-N 410.565 1.697 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1230277170 MZELVYBNMBAZEF-KRWDZBQOSA-N 405.451 1.810 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)cnc1OC)[C@H]1CCS(=O)(=O)C1 1231133532 TUALLDARRDXTBS-ZDUSSCGKSA-N 416.297 1.185 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1252850386 FDMDPYYZEIEODN-UHFFFAOYSA-N 407.536 1.534 30 10 HDEE N#C[C@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CCN1Cc1ccccc1 1265115264 FRMAAPGKHWWUQY-KRWDZBQOSA-N 415.291 1.847 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCOCC1 1280096044 JWUHPXQMJNMZKX-APWZRJJASA-N 408.495 1.771 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286391256 CAEOLQJMDNDIBV-ROUUACIJSA-N 407.584 1.732 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1286392247 BEGHVMFUKKCJTK-QAPCUYQASA-N 412.581 1.727 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286394290 NRRNXUIALWGVEB-CRAIPNDOSA-N 420.510 1.670 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOC[C@@H]1OC 1286398849 RCIFBFOOFIXWBJ-AEFFLSMTSA-N 401.511 1.321 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCOC1 1286463341 MQBOPLTXTBVJJH-OAQYLSRUSA-N 416.478 1.200 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC[S@](=O)C(C)(C)C)CC1 1286480320 KWJXXOJGQKRESW-UULLZXFKSA-N 407.584 1.822 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCO[C@H]2CCOC2)CC1 1286481828 YFFIQROFUAMPRZ-MOPGFXCFSA-N 403.527 1.123 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCO[C@@H]2CCOC2)CC1 1286481831 YFFIQROFUAMPRZ-RTBURBONSA-N 403.527 1.123 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286512865 OKXJBSHFOCIWLK-YLJYHZDGSA-N 405.568 1.797 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286627206 ASMZYCUPPGLTNN-ZDUSSCGKSA-N 420.861 1.928 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1286713558 FQRYIFZAFDGECV-LBPRGKRZSA-N 412.541 1.002 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1 1286781300 WTJKWJDVFZEYFQ-KBPBESRZSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CC(C)C)C(=O)C1 1286784322 DOQFZSJGPDBUKG-UHFFFAOYSA-N 414.485 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1286785948 VABJSGLOSKIFBC-OAHLLOKOSA-N 422.489 1.738 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cc(Br)ccc3-n3cnnn3)CC2)C1 1289361831 KZTQCOQONFHLTP-UHFFFAOYSA-N 418.251 1.903 30 10 HDEE CN1C(=O)CN(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1295173049 LHMIDWOSRQLGAG-INIZCTEOSA-N 413.434 1.318 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1297963334 DGTXUYBWDCNRJH-QGZVFWFLSA-N 423.477 1.326 30 10 HDEE C#CCN(C)c1nnc(COCC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300474973 ADFHVDSGCBOHRL-ULQDDVLXSA-N 419.526 1.908 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)(F)F 1300548607 MHWMDYDSZBYVHN-UHFFFAOYSA-N 419.407 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCC[C@@H]1C 1300558805 CKHCQLFAQJXUKW-BWAGFHJFSA-N 400.523 1.944 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1300699364 BYTGTGMUFYEQCG-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1CCS(=O)(=O)CC1 1300779297 UQCWFCZOJWAAFY-LJQANCHMSA-N 407.540 1.233 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)CC1 1301135945 WGESBSLFBUESCE-HKUYNNGSSA-N 419.526 1.263 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301198026 VYIMNAJHAMSNTF-FQEVSTJZSA-N 401.515 1.868 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1301289795 QNUZACVJBQIATE-UHFFFAOYSA-N 419.489 1.534 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCCC[C@@H]2C1 1301492557 JZICDMCMPKGDHF-MRXNPFEDSA-N 415.929 1.970 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnnn1C 1303931695 IDNIMAGEYYYGGV-ZFWWWQNUSA-N 412.429 1.463 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCNC(=O)C(C)C)n1 1304741428 RSUIIYXJILUWDP-OAHLLOKOSA-N 400.531 1.898 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1306015046 MNJIOICFDPDLFL-UHFFFAOYSA-N 408.520 1.982 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3)CCO2)cc1 1309712148 HYJINBMPSSDYOT-IBGZPJMESA-N 420.512 1.865 30 10 HDEE CCOC[C@@H]1CN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CCO1 1310522851 CTBWEMITRNFXNV-HNNXBMFYSA-N 408.455 1.452 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1314450174 ZUSAHFPLSQGDNJ-SJORKVTESA-N 416.526 1.945 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1 1318074137 NORPEFWZVDDFHL-SJORKVTESA-N 408.433 1.511 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1358978782 UNGMOQKVPQTFGM-MRXNPFEDSA-N 404.474 1.798 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359028711 BKXRTUYVQXNZMU-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359096015 VSSKJBNXWWXSGR-BQFCYCMXSA-N 417.535 1.945 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359335014 XJGMHAOTYHOTGB-AWEZNQCLSA-N 411.528 1.108 30 10 HDEE Cc1nc(=NC(=O)c2cccn(CC(F)(F)F)c2=O)n(-c2ccc(C#N)cc2)[nH]1 1361055914 WDRGUSDKDWXXRI-UHFFFAOYSA-N 402.336 1.846 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c1 1446518436 LORWMJSVNAXTED-HNNXBMFYSA-N 408.432 1.381 30 10 HDEE C#C[C@](C)(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1449784688 HMBCGUAGQFFTCH-LJQANCHMSA-N 410.492 1.775 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cc(O)nc(S)n2)C1 1452721726 IMGCBXUDCQEPFA-UHFFFAOYSA-N 420.292 1.858 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1452759550 BEGPIAFLDYJQMY-OCCSQVGLSA-N 405.455 1.115 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H](CO)c1ccccc1I 1456986721 MKWNGKAYLYYSER-HUUCEWRRSA-N 416.259 1.912 30 10 HDEE CC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)C(F)F 1457859718 SOBJUVWGQRVSQH-BBRMVZONSA-N 417.478 1.806 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 1458533999 YQRNSFOMSBUQPS-UHFFFAOYSA-N 414.325 1.651 30 10 HDEE C=C(Br)CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C 1464590116 YBGQGQSPXVFFMU-QCNRFFRDSA-N 409.202 1.997 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)Cc3ccc(F)cc3)C2=O)cc1 1471900758 SGUXSLQGAROLMB-MOPGFXCFSA-N 424.432 1.622 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1 1473727574 LFRFYQMEVNSFER-UHFFFAOYSA-N 400.523 1.843 30 10 HDEE COC(=O)[C@@H](c1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473851208 ZIPZQMNVPROWCI-JGGQBBKZSA-N 413.293 1.533 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1475474228 OYGWJCYMKATESD-MRXNPFEDSA-N 414.549 1.684 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1494107925 PXAHKJZOGQEELG-BBRMVZONSA-N 416.432 1.908 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1494280935 XBZUZRIRUNDAAJ-UGKMNXKKSA-N 423.477 1.480 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCc1cnn(C)n1 1503461805 HMNKIRUNFJFIOU-UHFFFAOYSA-N 416.493 1.948 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)C1=O 1503673801 SOMBWOXWMBJKBU-JOCHJYFZSA-N 416.489 1.764 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCNC(C)=O 1505079509 BCSUUIRNRPNKAE-ROUUACIJSA-N 404.515 1.658 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1 1507522171 UFDFNEJGBAJBKF-ZDUSSCGKSA-N 411.466 1.606 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507634438 NIQBWTKCPKXLPU-MSOLQXFVSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1507643879 UUERPZQLLUKYGU-OAHLLOKOSA-N 418.295 1.534 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCC=C)CC1 1507715825 IMVODWVVTLZGBY-UHFFFAOYSA-N 411.535 1.600 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCC2CC2)CC1 1507735415 VTEQSKLRTLRACD-UHFFFAOYSA-N 420.517 1.437 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)CC1 1507897137 NDDPUDWFYXJSDD-CYBMUJFWSA-N 423.543 1.615 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2F)CC1 1508081788 OWEOSADRPWXEJS-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1508093747 JNNFGCFYJVAZTE-LZKITUNOSA-N 403.527 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1508122017 BUJWBYFYIQZVKQ-ZIAGYGMSSA-N 420.482 1.591 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCCO1 1512421081 PZNOARORGPEBFB-HNNXBMFYSA-N 418.523 1.371 30 10 HDEE CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1516987254 HFDHUPOWVYKFCC-RTBURBONSA-N 421.546 1.393 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](C)n1cc(Br)cn1 1517928581 HMKQXGSSITTYAH-OLZOCXBDSA-N 418.299 1.996 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COCC(=O)OC(C)(C)C)c1 1518825690 JHIZUJGOEAKKNS-UHFFFAOYSA-N 416.474 1.218 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518879906 FWBMVQKHWWACFN-YGCDDZCOSA-N 422.489 1.944 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)nn1 1521335043 PPDOBHRGKKBEMZ-UHFFFAOYSA-N 402.886 1.904 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1528550092 GPTHYMDZWDPMGU-NJYVYQBISA-N 412.449 1.884 30 10 HDEE Cn1cc(CNC(=O)CN2CCCC3(CC3)S2(=O)=O)c(-c2ccc(C#N)cc2)n1 1536888391 WUGFIVMUBPVDLW-UHFFFAOYSA-N 413.503 1.533 30 10 HDEE CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538310250 SRSXZYJXASUNMU-DYQZNNLLSA-N 415.559 1.931 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539229946 AKBRZFVWSYVEFH-ZWKOTPCHSA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)COCCO1 1539251716 OEJMJGVAAZGWIK-QFIPXVFZSA-N 410.474 1.841 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)N(C)C)CC1 1539435829 CILQTKSLNDJMFO-UHFFFAOYSA-N 404.877 1.581 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](OC)C1 1539526707 SNEPZJWRWIMVRW-CQSZACIVSA-N 405.549 1.861 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cccn2)C1 1539918785 REBJQEGYRRPVQF-IRXDYDNUSA-N 413.526 1.933 30 10 HDEE CC1(/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1540728516 KKOQTFDRGIFPIY-SREVYHEPSA-N 403.504 1.764 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1541086661 CFNDLWRLHVQYET-AWEZNQCLSA-N 418.523 1.212 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1541945031 ATTUNGMDMGAWNB-QXKUPLGCSA-N 408.528 1.053 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C=O)ccc3F)CC2)cc1 1543122038 PBQLMZFDCSBDIF-UHFFFAOYSA-N 401.419 1.657 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)ccc1F 1543526228 KNTKABBTJAIBMZ-RHSMWYFYSA-N 422.482 1.674 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 1544373150 WOYKJAIXYDMLFU-HNAYVOBHSA-N 404.486 1.768 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C#CC3CC3)CC2)cc1OCC 1544772430 KKURJRIGDGIDFG-UHFFFAOYSA-N 406.504 1.730 30 10 HDEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1545190730 VTONRHFPVXRRBN-QGZVFWFLSA-N 421.505 1.400 30 10 HDEE CCc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546513364 RNOGFLXFOBOZCP-VHEBQXMUSA-N 414.510 1.764 30 10 HDEE C=CC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(=O)OCC 1556153817 JJMJHNBICRSXBY-CYBMUJFWSA-N 403.497 1.147 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1568251815 BZZKLDCYAWJUBY-MAZHCROVSA-N 402.900 1.077 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OC 1587305250 GMOKBRZNKXOGFI-ZDUSSCGKSA-N 424.397 1.488 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587767166 JKMXKXFCLXFGKH-UHFFFAOYSA-N 408.480 1.677 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CC=CCO1 1587931924 GBGYTYGIHNWIGH-KRWDZBQOSA-N 415.519 1.610 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1587975227 SLQIOAHHPNPOOS-UHFFFAOYSA-N 419.489 1.437 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588752770 VHDJJFWLAXPYOC-IYWMVGAKSA-N 419.570 1.961 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCC)CC1 1588806222 JVSFMVXFKUYVRC-RTBURBONSA-N 413.570 1.249 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1588843719 FKUXHCFOGZXHCP-GJZGRUSLSA-N 416.565 1.731 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCSCCCO)CC1 1588849047 WZAWSUJVZDONAX-UHFFFAOYSA-N 417.554 1.879 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@](=O)CC)CC1 1588849120 ZPRKYQYJIZOTIT-GDLZYMKVSA-N 415.563 1.401 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1589215869 GVSSQWKUYXLHOY-SQGPQFPESA-N 421.567 1.588 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCNc2ccc(C#N)cn2)C1 1594796932 AOVMAQXLOZEVCU-FOIQADDNSA-N 401.467 1.365 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1595570037 VDLAAAQUBXSTIT-LJQANCHMSA-N 416.570 1.472 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C[C@@H]1CCOC1)C1CC1 1595789426 SJVYZFMQBPZLQU-HNNXBMFYSA-N 418.523 1.341 30 10 HDEE COC(=O)c1ccc(N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)n1 1611785830 CZNNZIDROZGVEW-UHFFFAOYSA-N 418.450 1.826 30 10 HDEE CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)OC 1613615657 BHDNVYSCCNHYKS-HZPDHXFCSA-N 419.507 1.502 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1617727979 CANRVGAGTVAKOP-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE C#CCN1CCCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1618035642 PRNDWRCIPZALQA-UHFFFAOYSA-N 403.826 1.921 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1619989368 FPQYUCIKPKMMIV-APWZRJJASA-N 410.494 1.166 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 1622494282 YDGQHTNYHAZYCY-UHFFFAOYSA-N 412.533 1.010 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C)c(I)c2)C1 1622551468 OOVCRYWGOCSZNJ-ZDUSSCGKSA-N 418.300 1.976 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc1 1624948704 JURGUDGRHVDEPR-UHFFFAOYSA-N 413.459 1.859 30 10 HDEE C=CC(=O)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1625121256 LONDHTDNGPTCQZ-UHFFFAOYSA-N 424.482 1.829 30 10 HDEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F 1626069723 HGMBLSHNLSEOAK-XHDPSFHLSA-N 419.425 1.387 30 10 HDEE COCC[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1626088112 WIWOJNSGJZOTAX-WMZOPIPTSA-N 403.479 1.906 30 10 HDEE N#CCN1CCC(CNC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1629082566 RPVNSQXGHVHEBZ-UHFFFAOYSA-N 403.502 1.535 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 1631417287 KAUKMIGWJSKMMN-HXUWFJFHSA-N 412.534 1.444 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCC[C@@H]1C#N 1631882392 IAGONHJQQVMWIP-ZBFHGGJFSA-N 407.492 1.667 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1C[C@H]1CCCO1 1636309011 NKFSDPIAEOTMKN-BHYGNILZSA-N 407.492 1.022 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccnc3OCc3ccccc3F)C2)c(=O)nc1O 1637514279 RSPICAATXZTZEE-UHFFFAOYSA-N 421.388 1.631 30 10 HDEE C#CC[C@@H](NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21)C(=O)OC 1638832232 MIQJSUOOTODWOL-OAHLLOKOSA-N 414.462 1.742 30 10 HDEE C=CC1(CC(=O)N[C@H](C)c2nc(C(=O)OCC)n[nH]2)CN(C(=O)OC(C)(C)C)C1 1640229531 GLMATYWKZGMNPL-GFCCVEGCSA-N 407.471 1.972 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]32)c(=O)nc1O 1641033793 IDNITRDAHAEWLX-SOUVJXGZSA-N 415.247 1.285 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2ccnn2)CC1 1641501361 GWDIHEDLJXQRRT-ZBFHGGJFSA-N 402.480 1.070 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1 1643706541 QOSQRYLBBOCKMZ-UHFFFAOYSA-N 404.419 1.999 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cn(C3CC3)c(=O)nc2O)c1 1644552614 USONNKAAMNPPTE-UHFFFAOYSA-N 401.444 1.011 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 1645160654 MPPQSMRBVIHXLB-OALUTQOASA-N 421.563 1.933 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1645202769 WYGNDZWYLZMPTN-UHFFFAOYSA-N 410.430 1.649 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cccc(C#N)n2)CC12CN(C(=O)OC(C)(C)C)C2 1645414333 WSZVGDKPVOUHMD-AWEZNQCLSA-N 400.435 1.435 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(=O)OC)c(C)n2C)cc1 1650996066 PGXLOPAGHLAMLJ-UHFFFAOYSA-N 405.476 1.514 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)c(=O)nc1O 1651410751 QOKDBESJUXABNS-UHFFFAOYSA-N 401.732 1.594 30 10 HDEE N#CC1(C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 1652351354 HSEBBYQCTWXSCT-UHFFFAOYSA-N 405.476 1.954 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654888769 GMHFWTOJBXLEDX-GUXCAODWSA-N 402.520 1.484 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCO[C@](C)(C#N)C1 1654932737 OCTODXBLEFTKJY-OXJNMPFZSA-N 420.535 1.803 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCCCC1 1661071630 BCXSFNYOOGGBEB-UHFFFAOYSA-N 406.508 1.950 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)C1 1665457576 WTCJZBTWDORYPP-KRWDZBQOSA-N 413.565 1.604 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)cc1 1665969002 IQCZDZVGGFSIBJ-KRWDZBQOSA-N 422.507 1.845 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCc1ccc(C#N)c(F)c1)C2 1683349720 BOGQKUXBKYEYMS-UHFFFAOYSA-N 402.451 1.873 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1684847635 LQYANPVFXLYJPE-MDYRTPRTSA-N 404.488 1.501 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)on1 1686084637 QOWAKIKQNRALAY-MRXNPFEDSA-N 411.418 1.718 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCOCC2)CC1 1690122257 LSMUDVLYPFAGNX-UHFFFAOYSA-N 409.538 1.126 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1690245715 MAXRQPKZRQEPET-IKGGRYGDSA-N 410.540 1.388 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1690485038 JZBXKVOCIVIBOX-INIZCTEOSA-N 417.539 1.263 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1690515619 QCNVVUBAHPNBEV-AWEZNQCLSA-N 416.511 1.140 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2nc(C)no2)CC1 1690670949 MKVAUJUHEDITHI-INIZCTEOSA-N 415.498 1.897 30 10 HDEE CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)CC1 1695901886 BIZMQGOSXKAIFX-GOSISDBHSA-N 416.574 1.024 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1696630854 GZJUQCGLQVVTLO-KRWDZBQOSA-N 415.519 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1705490597 NBRVIIBBEQVZQH-OAHLLOKOSA-N 409.494 1.630 30 10 HDEE C#CCN(c1nnc(CC)n1CCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1705570511 NZEMEOHQZYKRPT-MRXNPFEDSA-N 412.519 1.517 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(O)c2)CC1 1705642564 YBMJHEGKLVAAKE-UHFFFAOYSA-N 405.506 1.649 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnccn2)CC1 1705738183 OTDKKBCFGZQBHR-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1705828179 FQSFRQPTOPUMBC-UHFFFAOYSA-N 401.515 1.718 30 10 HDEE Cc1nnsc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1707031981 BETNVHIHGCQCOT-ZWKOTPCHSA-N 421.502 1.969 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1709842634 FYAJOCQLHWJQOO-UHFFFAOYSA-N 410.478 1.732 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(SC)cc1 1722344904 MKBAYYPQDLUKEI-AWEZNQCLSA-N 407.565 1.922 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C 1722381994 CVMHDLPESSMBOA-GOSISDBHSA-N 412.515 1.640 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(CC)n1 1722391271 ZKBTURVPNGNBCT-AWEZNQCLSA-N 420.564 1.418 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722534677 VSRXCRAEXZEXDO-UHFFFAOYSA-N 421.505 1.513 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1722558935 DRPUDLYECBHXPT-SFHVURJKSA-N 403.575 1.599 30 10 HDEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1722643675 WOQQMLRWUSWXFF-HXUWFJFHSA-N 420.535 1.646 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1722718347 RLMAASTXAMJMEB-KRWDZBQOSA-N 416.507 1.147 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722730532 VSBKENGZMBWXNB-INIZCTEOSA-N 404.540 1.559 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1729342537 GEYGRKMPIBHGGA-UHFFFAOYSA-N 423.930 1.625 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CCO1 1729680732 HAKFWRNPFJGLET-GOSISDBHSA-N 412.494 1.583 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2ncnn2CCF)CC1 1733369747 ACWSYNIJTCSTQH-GJNTUIEKSA-N 401.486 1.097 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1734628030 OATRZKLIPVHRGH-RTJUMIHMSA-N 401.551 1.971 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCNC(C)=O 1740537440 UYWFYOBRZWUMBI-CQSZACIVSA-N 415.494 1.955 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1740611095 UEWMMCDVXPFBKT-OAHLLOKOSA-N 409.537 1.099 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740620214 CGSDWQWRDLMULC-ROUUACIJSA-N 413.503 1.312 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740620328 VSHJHHNJVYDQKP-SJORKVTESA-N 416.503 1.818 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740682282 PVISVYUAHACIJN-INIZCTEOSA-N 421.523 1.214 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C)CC1 1740693232 VBRJENVTZYUGNE-RXVVDRJESA-N 404.559 1.024 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cnn(-c3ccccc3)c2)CC1 1740703197 JLSNOQYPDQNVNT-UHFFFAOYSA-N 403.490 1.786 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1745791504 KCZBHZHYCXHJEX-HZPDHXFCSA-N 410.434 1.457 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746291116 UUHVIFRHIFFAOU-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1746407886 CYFDMPNPIYMLBZ-RTBURBONSA-N 423.521 1.252 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1747524941 OOMSAXZIJOEIGV-HZPDHXFCSA-N 402.499 1.507 30 10 HDEE CN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1=O 1748063249 VXFSQEBFTHFXJA-UHFFFAOYSA-N 410.409 1.788 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1748292377 KLXPHQNHEPKFDX-WBVHZDCISA-N 400.508 1.745 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748727437 SDNUJUPHDKNWNZ-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1 1748845819 AXFBXEXEWUWCSV-MOPGFXCFSA-N 412.515 1.641 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749040459 XQJLXIKVOGNCGP-MRXNPFEDSA-N 405.549 1.254 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749461162 NZJHSGHKBGUYGS-QGZVFWFLSA-N 424.505 1.988 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1749502515 WXFJOXOVWYIXRA-OAHLLOKOSA-N 406.508 1.923 30 10 HDEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749521240 IJOSSMOTKBXSLB-HXUWFJFHSA-N 420.510 1.712 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1749575019 KBAYTJZRJMNKHG-HNNXBMFYSA-N 419.507 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749658880 XEMBATBUEUNVBC-ZIAGYGMSSA-N 415.885 1.011 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749677078 MMVUPGLKXBUGIX-GDBMZVCRSA-N 405.524 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cscn1 1749736765 OLKFRXYLXQVCAF-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1752191687 DRDMEQIRXLLAFU-QGZVFWFLSA-N 424.505 1.966 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1760144934 FDRCEKUDYFFEET-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1760186422 NEUQYVQJEHNSLZ-MOPGFXCFSA-N 416.547 1.725 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1760262244 JZTGPWPJSBTFAV-UHFFFAOYSA-N 420.521 1.302 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760287011 CPSVIXSPKGNPCJ-RIFZZMRRSA-N 419.551 1.085 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1760312838 FKYKYUOZWMSXPF-NXOAAHMSSA-N 407.515 1.248 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760449829 WLYKXKPTDZPZTN-ZWKOTPCHSA-N 400.483 1.712 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1760560217 QCPSVKQZOADOPS-AWEZNQCLSA-N 415.585 1.424 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H]1COCCO1 1760697899 YVPMYDDYIGBAPL-AEFFLSMTSA-N 409.494 1.918 30 10 HDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1762178663 JSPVDKSPVHGXDU-UHFFFAOYSA-N 422.489 1.744 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1765589315 HOWJQJXLRKSFFE-QGZVFWFLSA-N 412.494 1.845 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1769273230 STDWUMIGFFTUOL-OXQOHEQNSA-N 414.441 1.832 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H]2CCOC2)n1Cc1ccc(C#N)o1 1770185636 RJNMWRIVFNLZSV-VKJFTORMSA-N 401.467 1.988 30 10 HDEE COC[C@H](F)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1770801899 SDSQSTOZCAFJTP-KUHUBIRLSA-N 401.421 1.943 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1771295644 XJOZYGLVYUZDCH-ABSDTBQOSA-N 422.505 1.166 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)(F)F)CC1 1771535205 DUQPUXFTLVEUKU-UHFFFAOYSA-N 407.400 1.682 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)[C@H]1CCN(C)C1=O 1848993124 TUUFIZBMMXIAEP-ZBFHGGJFSA-N 401.463 1.302 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCC1CCN(c2ncccc2C#N)CC1 1850054184 NJGTXTBMOHMPAX-QGZVFWFLSA-N 405.524 1.100 30 10 HDEE C#C[C@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851818601 XLKPUQBJODEAQA-IFXJQAMLSA-N 400.456 1.789 30 10 HDEE CCCN(C(=O)CCCN1CCS(=O)(=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1852108636 IVAXETMVALXDDK-UHFFFAOYSA-N 420.535 1.718 30 10 HDEE N#Cc1ccccc1OCC(=O)O[C@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852665386 MGAOEIFDYUKWHG-RBUKOAKNSA-N 419.437 1.492 30 10 HDEE Cc1ccccc1C(=O)N1CCN(C(=O)CCON=C(N)c2ccc(C)n2C)CC1 1853408118 YNLQMJJOJRFXOY-UHFFFAOYSA-N 411.506 1.654 30 10 HDEE CCC[C@H](F)C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853692414 ZXYUENDWACBZPR-ZWKOTPCHSA-N 406.502 1.726 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccnc3ncccc23)C1=O)[C@@H]1CCN(C)C1=O 1853805022 WGSWFHQBEULFBZ-ZWKOTPCHSA-N 407.474 1.480 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1=O)[C@@H]1CCN(C)C1=O 1853827390 BMGUQTDLIFRTFH-DLBZAZTESA-N 415.490 1.554 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2cccc3ccccc23)CCN1S(=O)(=O)CC#N 1854743792 NZVPHHRLTGTEES-AWEZNQCLSA-N 401.444 1.131 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCc3c(ncn3C)C2)CCN1Cc1ccc(C#N)cc1F 1854995415 GMEFMGIJWJAQKY-GDBMZVCRSA-N 409.465 1.795 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2nccc(N3CCOCC3)n2)C1 1855375364 MZTQAAHKJZOUBP-MSOLQXFVSA-N 413.522 1.733 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(CC(=O)C(C)(C)C)CC3)CC2=O)CC1=O 1855802127 BDMXHCRIURSLGR-ZWKOTPCHSA-N 417.550 1.723 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C)c(C)c3)C2)CC1=O 1856791938 LNNHLNDQXRWQER-HOTGVXAUSA-N 408.476 1.186 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1CCOC1 1857017804 AOZJFOSLQKWABV-HOCLYGCPSA-N 404.488 1.868 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@@H]1CCN(C)C1=O 1857055135 AFSOELBMOCLRGB-CRAIPNDOSA-N 417.481 1.932 30 10 HDEE COc1cccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857056168 KTSLJNQQZLSJNZ-QGZVFWFLSA-N 419.503 1.178 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cncc(N(C)C)c2)C1)[C@H]1CCN(C)C1=O 1857075104 XIFAMQBITRDOFS-APWZRJJASA-N 413.522 1.245 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1857223908 SFQOQPNJQGHFOE-QZTJIDSGSA-N 400.523 1.778 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)CNC(=O)c2cccc(C#N)c2)cc1C 1858028027 CVINBKUYCYRKQG-SFHVURJKSA-N 401.488 1.587 30 10 HDEE N#Cc1c(Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)ncc2c1CCC2 1859861108 YSOVFSXUSLNMMY-GOSISDBHSA-N 401.426 1.947 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccccc1I 1861018310 ZQFYBPLGPUHJHQ-ZWNOBZJWSA-N 400.216 1.169 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862596387 MUGHKCQIOYBCRQ-KRWDZBQOSA-N 414.370 1.967 30 10 HDEE CC1(C)OB(c2cnc(OC[C@@H]3COCCO3)c(Br)c2)OC1(C)C 2052494745 QKDZNFLMXIJFCM-LBPRGKRZSA-N 400.078 1.938 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)NCC#CCO 2059945153 FNJLATBZWOMHEG-OAHLLOKOSA-N 411.296 1.997 30 10 HDEE N#CCN1CCC(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089784374 IXDBBJAHHXBYQE-UHFFFAOYSA-N 418.519 1.360 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)c1ccc(C#N)s1 2118166351 DVXGWAUIZJNCRP-OUCADQQQSA-N 401.510 1.969 30 10 HDEE N#Cc1cc(Br)cnc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2118195136 SBFRUGPKANIDDI-WPRPVWTQSA-N 420.189 1.074 30 10 HDEE Cc1cc(S(=O)(=O)N=c2cnc(I)c[nH]2)ccc1C#N 2145529740 WVQODMCHRSSXCY-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(F)cc2F)[C@@H](C#N)C1 2162921691 PUVDAEQTYRYPOO-JTQLQIEISA-N 402.423 1.681 30 10 HDEE CN(C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)[C@@H](CC(=O)O)C(F)(F)F 2180575700 VRZHIWPIUSMZMN-RNHFCUEFSA-N 406.201 1.850 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379013 COTXAXZXOJQCPC-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2243386722 GMJFNQBWGSBASG-UHFFFAOYSA-N 406.292 1.496 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244555450 NTPDUJXFHLTIPM-GJZGRUSLSA-N 408.304 1.810 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CCC2)C1 2247903074 IEAGWALBYGWWJT-UHFFFAOYSA-N 423.319 1.594 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@]34C[C@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2247915787 JNWRCOLNXFGULG-AOMKIAJQSA-N 408.311 1.713 30 10 HDEE Cn1cc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247919175 SLQAWGNTZWLZBU-MDZDMXLPSA-N 420.319 1.530 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267704115 ILHQHDKAIFAWES-YDGUKXNOSA-N 407.388 1.401 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cccnc2C#N)C(F)(F)C1 2279129983 UZWQKQSJPFUFSY-ZDUSSCGKSA-N 402.423 1.876 30 10 HDEE C[C@H](N)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2281969918 BCVDZODOBMXYSB-JQWIXIFHSA-N 400.737 1.889 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1OCCCO1 2282303883 BYVYLHWYUXBGKZ-UHFFFAOYSA-N 403.331 1.397 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282309539 GVWHMAXOBPQECU-NSHDSACASA-N 402.347 1.111 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@H]1CO 2282322763 QJVAROCJUDTPOT-WCQYABFASA-N 401.359 1.747 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282420491 ZZSAWFANXBOPQI-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493977 YQSAEZBBPDPSAV-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282494017 WMQJKWUAFTZVDM-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCC[C@H]2O)OC1(C)C 2282494665 ATPHIWHZSXIIKY-UONOGXRCSA-N 401.721 1.831 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1F 2282496570 DDEXSDJBTKOGEN-CHWSQXEVSA-N 405.322 1.546 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282498765 JDIVAODRTADZDJ-YMXBGEKHSA-N 401.359 1.172 30 10 HDEE CN(CCCCCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503957 HZXZEOQEASYQFV-UHFFFAOYSA-N 403.375 1.972 30 10 HDEE C[C@@H](O)C(C)(C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506740 WUJQQTFFNAMJEF-GFCCVEGCSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCNC[C@@H]2F)OC1(C)C 2282508003 PKWCHIXLLMGALJ-STQMWFEESA-N 404.338 1.167 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]4CNC[C@H]43)cc2Cl)OC1(C)C 2282827723 CGQYYDDRQLURRU-CMPLNLGQSA-N 418.777 1.683 30 10 HDEE CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282840368 GHZQEMFMMRPQEG-NSHDSACASA-N 403.331 1.586 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](O)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282842470 YTJQCVUOMXTKQX-STQMWFEESA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CO)c2cscn2)OC1(C)C 2282851655 FHBYYMNRXNVQTB-LLVKDONJSA-N 416.355 1.516 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](N)CC(F)(F)C3)c2)OC1(C)C 2282854854 WRGSOTXHIUNJSE-NSHDSACASA-N 408.301 1.404 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(N(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2282870250 PFBUGZNZEBDHEH-UHFFFAOYSA-N 400.375 1.599 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)OC1(C)C 2282876712 HTILBWWKJNTMOK-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)CC3(C)C)s2)OC1(C)C 2284402226 HTQLGWKQJSZLIW-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE C[C@@H](CCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414288 GAHUPSIGZJOSAF-NSHDSACASA-N 403.331 1.827 30 10 HDEE C=CCc1cc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1O 2297345889 KVIALTRVXYIHLH-UHFFFAOYSA-N 420.472 1.751 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@H](CNC(=O)OC(C)(C)C)C(N)=O)n1 2300131946 URJOZSKCRJOYFG-CQSZACIVSA-N 421.303 1.447 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(O)cc1 2330785903 PIMPFHGUPQFKDJ-UHFFFAOYSA-N 405.480 1.793 30 10 HDEE N#Cc1cnc(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)cn1 2338905366 BGRQMXCPABVNGB-UHFFFAOYSA-N 413.459 1.947 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N[C@H](CP(C)(C)=O)C(=O)O)s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c1ccccc1-c1oc(N)nc12 20220480 PDDQDWKGYSLXPU-OAQYLSRUSA-N 409.398 1.542 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2cccnc2)n[nH]1 59888319 POJUWXGYHPDPFW-DJKKODMXSA-N 415.483 1.182 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 238888349 QIRRARUPEGJKRO-HDJSIYSDSA-N 416.459 1.788 30 10 HDEE COCCN1C(=O)[C@H]2CN(Cc3ccccc3)C[C@@H]2NC1=NC(=O)OC(C)(C)C 310032221 YIAGEYXFMVMLMB-IRXDYDNUSA-N 402.495 1.856 30 10 HDEE C[C@@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)n1cnc(C#N)n1 409689903 ZYCXDBWGONAYGM-LBPRGKRZSA-N 419.283 1.638 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)n1cnc(C#N)n1 409912582 ZKFRBVYZCPARFU-GOEBONIOSA-N 414.491 1.094 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2OCC)CC1 428773701 RBLKXZBOOHFFIN-UHFFFAOYSA-N 417.510 1.239 30 10 HDEE CCN(C(=O)[C@H](C)n1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 443372181 JKRFQKCCDINIRS-SUMWQHHRSA-N 401.492 1.722 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCNS(=O)(=O)c1cccnc1 448521649 PTCLENOPLGQLHK-UHFFFAOYSA-N 419.463 1.666 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C#N)cc2)cc1C 460279844 GUVJCQYNCAKLIS-UHFFFAOYSA-N 401.488 1.991 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 461193739 STIBPXZSEVWUMU-IUODEOHRSA-N 407.565 1.919 30 10 HDEE CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 462396834 YSIUGOVPTSHXFI-UHFFFAOYSA-N 409.489 1.166 30 10 HDEE N#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 465141554 SECITGQYPUCOFE-UHFFFAOYSA-N 410.927 1.408 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn4ccnc4s3)CC2)cc1 467869072 RFRJTUJEVWZEDR-UHFFFAOYSA-N 401.473 1.414 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2C1=O 471707849 ZPGCXTMERFNVLW-UHFFFAOYSA-N 418.457 1.345 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 474795197 VULFHGOXAXRBFV-HNNXBMFYSA-N 406.508 1.389 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 488273862 RFTCCEQHEPAGQV-PMACEKPBSA-N 423.517 1.703 30 10 HDEE COCCN(Cc1scnc1C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 488817680 MTENFGDKPVEUGS-UHFFFAOYSA-N 422.532 1.932 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 508463114 DJBNMTRHEKLFBT-OAHLLOKOSA-N 407.478 1.483 30 10 HDEE COCc1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 508953357 XXSCAMULCCLMFX-UHFFFAOYSA-N 402.476 1.619 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)NCCC)cc2)CC1 509469879 BMUIKSVSTMHHSY-UHFFFAOYSA-N 401.511 1.207 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)Nc2ccccn2)nc1C 526899435 WUWYDAABIBONIP-MUUNZHRXSA-N 422.488 1.515 30 10 HDEE CCOC(=O)[C@H]1CCCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 530375333 LTYIJMDKNSCMIY-KRWDZBQOSA-N 421.519 1.921 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(-n2ccnn2)cc1 535189183 CPSHRQGKKLUMHC-CVEARBPZSA-N 417.477 1.910 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)CCO1 553886949 PGXNSARMNJCVHG-WDEREUQCSA-N 409.390 1.171 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 556457496 WHKGCHQKWFHHAO-CQSZACIVSA-N 419.894 1.280 30 10 HDEE CCc1cnc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)s1 564484489 OOHIZSFNBPEMHP-UHFFFAOYSA-N 419.532 1.204 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCC(=O)Nc2cccc(Cl)c2C)CC1 604189956 IZPJFONAHFTWJM-UHFFFAOYSA-N 421.929 1.606 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 608926325 VHMJMCUXHHQSIL-UHFFFAOYSA-N 422.470 1.437 30 10 HDEE N#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 609436462 LPFFNPJWJDMRRS-QGZVFWFLSA-N 406.508 1.749 30 10 HDEE COC(=O)[C@@]1(NCC(=O)N[C@@](C)(C#N)C(C)C)CCCN(Cc2ccccc2)C1 611266044 VBJKIXNDTRKBOB-FCHUYYIVSA-N 400.523 1.838 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCCn3nc4ccccn4c3=O)nnc12 641975248 ZLWWRQUVJMNTBH-UHFFFAOYSA-N 419.470 1.832 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 702785597 PZIFVGKHBRXEDF-JSGCOSHPSA-N 415.899 1.718 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CCS)C(=O)O 703975228 VTAPJQUMEUVJKL-ZDUSSCGKSA-N 414.505 1.001 30 10 HDEE C#CCN(CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 731213510 DUSORWPGGQZCMY-CQSZACIVSA-N 403.331 1.774 30 10 HDEE C=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC)C(=O)OCC 734027073 GCQGGBQJNXGBRI-NRFANRHFSA-N 416.430 1.274 30 10 HDEE COc1cccc(CN(C)C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 741340584 GEJDNQPRTBSFRD-FMQUCBEESA-N 401.419 1.113 30 10 HDEE C#CCOc1ccc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 741675157 ZDPWHTNQSSVUNN-UHFFFAOYSA-N 415.490 1.850 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)CC2)c1 743109552 KAKBFOHRHQGOSS-DYTRJAOYSA-N 405.524 1.811 30 10 HDEE CN1/C(=C/C(=O)CN2CCN(c3nccn(C)c3=O)CC2)C(C)(C)c2ccccc21 745992416 ZIZKFCXXYMBHHN-HMMYKYKNSA-N 407.518 1.783 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 746925908 UFSQSTMWLMTUJP-UHFFFAOYSA-N 409.402 1.446 30 10 HDEE C#CCN(C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCS(=O)(=O)C1 753263407 QHYCNUJIOQYHPX-INIZCTEOSA-N 420.466 1.640 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291361 HYJHLYJMCGJERK-MOPGFXCFSA-N 408.458 1.701 30 10 HDEE Cc1ccc(Cn2cccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c2=O)cc1 754464199 CXYNWXMUAIXDLG-FMQUCBEESA-N 421.457 1.853 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CCCCC1 760404998 CRDHDAVFDZKIEE-UHFFFAOYSA-N 418.475 1.272 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)c1 763222973 DYJMNFCJPOAFIV-UHFFFAOYSA-N 408.439 1.396 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 763379721 FQVVTSJZFRHIOG-RJCBAWPRSA-N 412.446 1.430 30 10 HDEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 769847579 ANDRJMBQYFDTKP-OOFWQKGWSA-N 410.448 1.193 30 10 HDEE Cn1c(=C(C#N)C(=O)c2cccc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772274585 GKLHDUODSQPSQB-UHFFFAOYSA-N 404.426 1.620 30 10 HDEE Cc1cnc(N)c(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 773230047 AIOAVJKQQVCDDI-LTGZKZEYSA-N 423.520 1.586 30 10 HDEE C#CCN(C(=O)Nc1cccc(SCCC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 774059300 TUBRSWNQEBTPEJ-HNNXBMFYSA-N 410.517 1.996 30 10 HDEE CSc1nc(O)c(C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)cc1C#N 775426046 OACNYMWDBUOQFH-GFCCVEGCSA-N 408.480 1.746 30 10 HDEE CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 775436795 JLDQMEYFUNLASH-QGZVFWFLSA-N 417.510 1.787 30 10 HDEE N#C[C@@H](C(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)NCc1ccc(F)cc1F 786564439 RKTPJNZKBYGZQA-AWEZNQCLSA-N 412.352 1.406 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1 787735262 FEZLEQAYCZNBQH-DJJJIMSYSA-N 418.471 1.732 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc(SC)nc2O)n1 788813398 FVXKHKDWVGGWSI-UHFFFAOYSA-N 403.508 1.650 30 10 HDEE Cn1ncc(-c2csc(=NC3CC3)n2N=Cc2c(Br)cnn2C)n1 789968872 RGUZHXHENPUFLU-UHFFFAOYSA-N 407.301 1.786 30 10 HDEE O=[N+]([O-])c1ccc(NN=C2CN3CCC2CC3)c(S(=O)(=O)N2CCOCC2)c1 793107890 CIMZSLCBCBRWBY-UHFFFAOYSA-N 409.468 1.109 30 10 HDEE C=CCc1ccc(OS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)c(OC)c1 795057890 RUIROMFXCDDXME-UHFFFAOYSA-N 403.522 1.804 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)CO)cc1 797617355 UWZTXWRRFDFDEN-SAGAUJLNSA-N 412.512 1.144 30 10 HDEE Cc1cc(COCC(=O)NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)on1 802030399 CRVRACARURBPDB-UHFFFAOYSA-N 403.338 1.895 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 809357812 JEPGLCSZHFZLLI-HXUWFJFHSA-N 423.448 1.793 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812263114 NVJDTFWWGOWOLU-CVEARBPZSA-N 405.499 1.835 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1 813654822 WBMLPHXZBFGNMT-AWEZNQCLSA-N 419.908 1.328 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2Cl)C1 816692546 QIAZFMJMGKDSPV-RISCZKNCSA-N 415.899 1.481 30 10 HDEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2)ccn1 856551743 YWQSGNANZZZBMQ-VQIMIIECSA-N 409.556 1.854 30 10 HDEE COc1cccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 916893563 CSSFRHISOUNBIF-PCIUKOCSSA-N 412.446 1.843 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 918756681 WQHHDKNCOUYBSZ-GDBMZVCRSA-N 406.529 1.410 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 921018939 CJPDVMOAHNUPQW-ZMEGLIOTSA-N 410.521 1.359 30 10 HDEE N#C[C@@]12CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)C[C@H]1CS(=O)(=O)C2 1134055643 CMBCMGIMGWROBD-LIRRHRJNSA-N 418.450 1.595 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1134718866 WPNOKLPCHQXTSG-JKSUJKDBSA-N 402.472 1.638 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CC2)c1 1136281868 RRUWLBXOGWIXQL-FXBPSFAMSA-N 406.508 1.303 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2cnn[nH]2)cc1 1136332155 ZHJYVBPFGKQHCL-OQKWZONESA-N 404.496 1.969 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@](F)(C#N)C3)CS(=O)(=O)[C@H]2C1 1138251949 PALBLYQDYHVGDG-ZXTQRBJTSA-N 415.487 1.121 30 10 HDEE C=CCOC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1139175476 GHIMWBPZPTYBQZ-HNNXBMFYSA-N 422.279 1.617 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1141971917 VHAAHTDPYWXRJN-LSDHHAIUSA-N 413.293 1.278 30 10 HDEE C#CC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)C(=O)OC 1141995289 MGDKWJUVMRXBLX-QGZVFWFLSA-N 400.456 1.806 30 10 HDEE O=C(N[C@@H](CO)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1cccc(F)n1 1149336903 QFSIMOGBSXGFMP-HNNXBMFYSA-N 409.339 1.498 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)C1 1153616436 LWPDWJKELIHLPK-UHFFFAOYSA-N 422.478 1.432 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1[C@@H](O)c1ccccc1)c1cc[nH]n1 1163900842 CLCPSNSKIMPQTI-PXNSSMCTSA-N 414.462 1.808 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnc(C(F)(F)F)nc2)s1 1166498788 ATYUFELKLDOUIJ-UHFFFAOYSA-N 420.438 1.880 30 10 HDEE CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)nc1 1203937997 CCLRPYPCJIELPW-UHFFFAOYSA-N 400.464 1.215 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1 1213924522 YCWOITZADXNLCY-IRXDYDNUSA-N 421.519 1.985 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1264027609 PGUXAURHNDZMLN-GUYCJALGSA-N 422.532 1.505 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1286297748 YHVXODNMNJJMMW-PBHICJAKSA-N 419.507 1.188 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1286385419 XICMIHBAGUXJIZ-INIZCTEOSA-N 404.492 1.227 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1286467155 RLCJXEZCKBWWGE-IERDGZPVSA-N 402.470 1.634 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(OC)C2CC2)CC1 1286470229 VMGHXRFBVUATMN-QFIPXVFZSA-N 416.570 1.767 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2[C@@H]2C[C@H]2CF)n1 1286471956 UBICEBZVJSHUEG-SOLBZPMBSA-N 402.474 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCOC2)CC1 1286489705 DASNCPUYBZKZNI-INIZCTEOSA-N 411.510 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286489970 IROUESQIOOGHQE-PKOBYXMFSA-N 422.533 1.857 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286703939 JEGISMZTKUOSNB-AWEZNQCLSA-N 415.523 1.450 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@H]1C 1286755987 FOCBDIPNIYKIBL-VBKZILBWSA-N 401.467 1.724 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)n(C)c1=O 1286773970 WIBFOAHTWGVNGD-GOSISDBHSA-N 401.511 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286783179 NAPHDPWAFLTUQC-AWEZNQCLSA-N 416.913 1.958 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1286837652 YSLWBSDDRDDQCP-OXJNMPFZSA-N 423.583 1.906 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1288990682 OVHDUSLTYRDBNX-UWJYYQICSA-N 410.478 1.324 30 10 HDEE COC(=O)CN(CC#N)C(=O)C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F 1293846755 SKLBVSBJMOZTBO-OAHLLOKOSA-N 401.366 1.961 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)ccc21 1296487898 KEPMVJKNLGHJSV-HKUYNNGSSA-N 420.473 1.638 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1298310658 UYRDDXNIKDVBIN-UONOGXRCSA-N 409.508 1.891 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(N)=O)nc1 1300663989 MGXYOBJANUNHEW-UHFFFAOYSA-N 405.462 1.277 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300884589 KVDMDZVMCYJRRZ-MSOLQXFVSA-N 423.583 1.902 30 10 HDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1301194891 QXDOITPFXJWPBZ-UHFFFAOYSA-N 423.564 1.861 30 10 HDEE Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc(S(C)(=O)=O)c1 1302879791 UZFMOJBRRYTJMP-UHFFFAOYSA-N 421.500 1.466 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@H](O)C1 1303822906 GUVMKJOEKONVFE-BPUTZDHNSA-N 410.544 1.179 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)cc1 1312736739 RMNATFZMMRZUQI-HMILPKGGSA-N 400.504 1.930 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1314669800 DNGLJBMPLJPPOW-GOSISDBHSA-N 411.510 1.097 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1 1314674903 HFWCBNISFFWVSC-GOSISDBHSA-N 405.528 1.305 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1316176370 HEJFMKASAUKNIL-UZLBHIALSA-N 424.521 1.555 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1316528761 ZIRRDVXQABOBKH-BMIGLBTASA-N 422.358 1.588 30 10 HDEE C#CCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cc(O)ccc1C 1320250296 ZHDJBPIIPQMLES-UHFFFAOYSA-O 418.520 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1358889322 AFRGCJWLUQXGKA-OKZBNKHCSA-N 407.584 1.903 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358931560 FWQKCIJGYARRES-QGZVFWFLSA-N 407.478 1.150 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)(C)C 1358938652 HEOZOIOCXJYVEN-XHSDSOJGSA-N 411.572 1.799 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1359027732 UNTACGSXVJZCFR-LJQANCHMSA-N 409.490 1.550 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359126458 PUHKFBACWMLSTD-ROUUACIJSA-N 419.526 1.491 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1359150765 GFEBZKATFYZLQV-YUELXQCFSA-N 417.963 1.988 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1359244065 PGPJITSQFNPAQC-VHEBQXMUSA-N 410.482 1.288 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1359631785 NTWBAULMYOSEDO-SFHVURJKSA-N 423.521 1.900 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1 1437520451 FTKPPMAIPWJSTP-HNNXBMFYSA-N 402.480 1.198 30 10 HDEE C#C[C@H]1CCCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1439977672 FJPWVNSTUINROE-HNNXBMFYSA-N 402.520 1.771 30 10 HDEE N#C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(Br)cc1 1441060961 WWKABOBWSBMMLW-AWEZNQCLSA-N 405.256 1.712 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)cc1 1450325669 NUCHRVNNMOTHTC-SLWQEBJJSA-N 422.425 1.724 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450337742 FNZFCAAYQDQSPE-MJGOQNOKSA-N 402.447 1.052 30 10 HDEE C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453839637 AZIDRBQCDXNSRC-INIZCTEOSA-N 418.453 1.995 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Br 1458291491 OKRVMHXHSCRBPQ-WBMJQRKESA-N 413.293 1.787 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)OCC 1464376861 BZJYCOGPLHYYGC-CYBMUJFWSA-N 404.510 1.161 30 10 HDEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@H](C)NC(=O)Cn1cnnn1 1464965916 SYJKVHCBWFTIRM-HNNXBMFYSA-N 421.436 1.730 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@@H](C#N)C1 1467002189 DVYMBARIFXUEFZ-HNNXBMFYSA-N 408.480 1.026 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1OCCc2sccc21 1470390673 JVJMENWBVNAUPB-BMIGLBTASA-N 401.448 1.151 30 10 HDEE CN1C(=O)CN=C1NC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1470593695 NARICARAMWXWKV-UHFFFAOYSA-N 407.455 1.847 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 1471121392 FSSBKMWWDJZNLV-IBGZPJMESA-N 417.443 1.144 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)NCC#CCO)CC1 1471151855 FKHSBFLEEGFFAA-HDICACEKSA-N 406.527 1.240 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1478480034 FQUPUGZGPDGEMN-UHFFFAOYSA-N 424.452 1.945 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)n1 1478651193 KNWDTNVAYAPABF-APWZRJJASA-N 400.483 1.328 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)C[C@H]1CS(=O)(=O)C2 1479218947 MAXSBHPNRXWWGY-HZMBPMFUSA-N 422.816 1.834 30 10 HDEE C=C(C)CN(CC)C(=O)CN1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CC2 1484015853 GTDKTTUHNNRFJV-IURQCIJFSA-N 401.551 1.900 30 10 HDEE C#CCN1CCC(C(=O)N(CCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CC1 1497666359 JHRQXBCWSAYRDP-TXVWBRJLSA-N 401.551 1.498 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1502372100 BHNLLIOIUBIICC-JOCHJYFZSA-N 423.521 1.681 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1503576977 ANWUMDGTAOBIDF-UHFFFAOYSA-N 411.491 1.330 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1504476988 BAZIWXHXJBWMEP-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCCC1 1505067051 WHTANTCMKAYXMU-IRXDYDNUSA-N 416.526 1.788 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CCOCC1 1507611424 QGYKOZLCXVTUOT-UHFFFAOYSA-N 424.534 1.902 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629179 ZXKIPVHHEFAGDG-XYJFISCASA-N 423.583 1.101 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(COC(C)(C)C)on1 1507638001 NSHPVYMBQYJTHM-UHFFFAOYSA-N 424.505 1.938 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC 1507653460 XTGGRMLAFRJQCB-KRWDZBQOSA-N 417.510 1.696 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCCCC2)CC1 1507719391 NMJDTXBZBNIHOH-JOCHJYFZSA-N 417.554 1.381 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507952929 BZIIPZGAYUYWFF-SJORKVTESA-N 423.583 1.840 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507967888 NVHXINPLRNOIJK-VAMGGRTRSA-N 419.570 1.922 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)COC)C1 1508113887 BGPIWYBTPZVYMX-QFBILLFUSA-N 424.509 1.985 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)COCCO1 1510343163 BPAINBAJHJHKLX-VGSWGCGISA-N 424.505 1.714 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OCC)CCOC1 1515123339 HLMRWCSJQZUMTF-FQEVSTJZSA-N 404.515 1.586 30 10 HDEE CN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCCC1 1517051771 RNKSSRWSKZMDFK-CZIZESTLSA-N 424.509 1.974 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1517439947 CWHHBPFYGZIUIN-WMZOPIPTSA-N 424.505 1.869 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1517508155 ZUDNWUSWDDBUJF-GJZGRUSLSA-N 416.482 1.477 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1517659497 CUPLVWFAUHCZJA-KRWDZBQOSA-N 410.478 1.588 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)cc1 1518640728 GSZSINMJFMYQQT-INIZCTEOSA-N 410.434 1.453 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOC(F)F)c1 1521083169 TYDYGVAWTATIOE-HNNXBMFYSA-N 417.420 1.660 30 10 HDEE C=CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1521562948 URBCILBSGYNDCO-UHFFFAOYSA-N 407.492 1.453 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1533479049 NFEZJMDEARGAFV-UHFFFAOYSA-N 408.520 1.382 30 10 HDEE CCOC(=O)c1c(NC(=O)c2cc(Br)n(C)n2)c(C#N)cn1CCOC 1533737851 DLVVHCRITLDRQN-UHFFFAOYSA-N 424.255 1.931 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)nn1 1536910295 IURRZKNQZYJMDG-XHSDSOJGSA-N 405.524 1.377 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539201304 ZVAGGSXYBJVFML-GVDBMIGSSA-N 407.540 1.403 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCSC1 1539238416 WKXUORKAKRXLKK-WOJBJXKFSA-N 404.536 1.260 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS1 1539406337 YSTJOZQLLINRQV-GOSISDBHSA-N 424.534 1.902 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OC)c1OC 1539408997 LCPHUVIKBJAOTC-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2C[C@H]2C)CC1 1539470049 XNRHUWVZMYMPRO-CDMIOBSGSA-N 415.538 1.552 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1539512335 BRYNPXQHOKCCPS-CABCVRRESA-N 400.512 1.029 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnn(C)n1 1539548505 ODCWZTUHJJISQO-HXUWFJFHSA-N 408.466 1.526 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1540676667 IZTQWAALHMNYRJ-RBUKOAKNSA-N 419.522 1.664 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 1540696689 RBOKJTJHMPXNGD-MRXNPFEDSA-N 414.462 1.984 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCCOCC1 1540875542 PDWUJSLPXSEOOW-UHFFFAOYSA-N 415.494 1.785 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)NC[C@H]3C2)cc1 1540879275 YLXRWSNOUOYTDN-KRWDZBQOSA-N 412.494 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1540892309 JOIIMXQMHRTFME-SJORKVTESA-N 408.524 1.308 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1547312646 AGDCUZMFFWJLMG-OAQYLSRUSA-N 407.478 1.011 30 10 HDEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1548263099 VBYGCMMEGIPUOJ-KRWDZBQOSA-N 403.531 1.410 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1555190899 DEKLWHTZWQMBKE-IIDMSEBBSA-N 401.442 1.864 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCC(=O)N(C)C 1555741389 QPVNHPGMHPXFBX-RDJZCZTQSA-N 404.515 1.610 30 10 HDEE C#CCN(CC(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C)C(=O)OC(C)(C)C 1556524575 NTKACNADCNWNIM-ALOPSCKCSA-N 406.527 1.057 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1 1557387168 QLZWCFHVIKKJAE-UHFFFAOYSA-N 405.407 1.137 30 10 HDEE C#CCN1CCC(NC(=O)c2cnn(C(C)C)c2I)CC1 1558422882 KMUZZGVOEXQSQH-UHFFFAOYSA-N 400.264 1.896 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3cncc(C#N)c3)CC2)CC1 1560014258 OEHZOKDQDMDEHE-UHFFFAOYSA-N 414.510 1.744 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 1560056471 JSNDYFSYTUPIFX-HXUWFJFHSA-N 406.425 1.692 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCOC34CCCC4)CC2)cc1 1565454377 COBFKWCYQKQDRL-SFHVURJKSA-N 418.519 1.676 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1 1568701386 OLEBTZQHDBIOOS-UHFFFAOYSA-N 420.513 1.722 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1583848586 QCRQVYXBEVSVSL-HNNXBMFYSA-N 418.560 1.187 30 10 HDEE Cc1nn(C)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1C#N 1585832320 AVYMKJGAFYSZMC-UHFFFAOYSA-N 423.882 1.527 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCn2ccnn2)c1 1587694045 ZWAMKYNUEFVAQH-UHFFFAOYSA-N 404.478 1.894 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1587851609 KOOPDECEGWIQDC-QZTJIDSGSA-N 424.567 1.963 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC(F)(F)F)C1 1587975292 WHJOWRQXLUYANQ-CYBMUJFWSA-N 424.427 1.959 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1588084739 VYEOQHHSFJLBJK-INIZCTEOSA-N 424.530 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C1CC1 1588628761 OPHPZRPRMNGUAX-HNNXBMFYSA-N 414.510 1.575 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCN2CC)CC1 1588733761 ZQRGKWCZEQMNGX-GOSISDBHSA-N 422.537 1.165 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCN2CCN(CC)CC2)CC1 1588811481 KDLGQMMSKFRNCG-UHFFFAOYSA-N 413.614 1.719 30 10 HDEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1589054154 ZDRWNVRVJSMWLT-GOSISDBHSA-N 424.530 1.744 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1593636098 GBDKDFGBKLSPKV-WBVHZDCISA-N 420.539 1.551 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595399302 WFQVMPHZIQTABU-INIZCTEOSA-N 415.498 1.415 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1595601969 BSSQWYSLWWFGFM-IAGOWNOFSA-N 418.542 1.565 30 10 HDEE C=CCNC(=O)Cn1c(N2CCNC(=O)[C@@H]2CC)nnc1C1(c2ccccc2)CCC1 1595602893 UJXOYHISNGZDIE-SFHVURJKSA-N 422.533 1.765 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cnnn2)C1 1595688809 OXGWFCRNYHGEDC-SFHVURJKSA-N 410.482 1.812 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N2CCCC2=O)CC1 1595760536 PFJLERVFFNDGSC-INIZCTEOSA-N 423.583 1.984 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1596602952 IOTUQHFCFQUXRR-HNNXBMFYSA-N 418.519 1.278 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)c1 1596870993 OHXXIRHCBVBONF-UHFFFAOYSA-N 411.462 1.795 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 1611025265 ICNGENVSNIFLER-SFHVURJKSA-N 422.547 1.846 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1620054398 JBWSEVGGDDTNHO-AVRDEDQJSA-N 424.505 1.537 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1620350199 FIWKRLIDEVKVJY-NRFANRHFSA-N 423.452 1.508 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4nc(C(C)(C)C)cc4C3)CC2)o1 1620637869 IPAKUELFDCWAPD-UHFFFAOYSA-N 411.510 1.513 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN2CCC3(C2)OCCO3)c(C(F)(F)F)c1 1622593379 CWRDLMPGEQMWBA-UHFFFAOYSA-N 405.398 1.304 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)OC(C)(C)C 1623724112 GEYSABPPSZOAPK-HUUCEWRRSA-N 401.529 1.081 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)NCC(=O)NCC(=O)NCc1ccccc1 1625764854 SDCADFVDNWGZCF-UHFFFAOYSA-N 417.387 1.606 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1626039850 SEUFATWRMGXEJE-UHFFFAOYSA-N 406.508 1.254 30 10 HDEE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628506921 BBVBVUWLOKNPNI-SWLSCSKDSA-N 422.279 1.139 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1631900206 QNIWEGMIVXESQW-SJORKVTESA-N 406.527 1.234 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3C(=O)CCC3=O)C2)C1 1632597873 NVAAQMYHBIXTDB-FAGJFJLWSA-N 418.494 1.429 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1633716147 VJDYDYUDYWGDFA-KRWDZBQOSA-N 406.504 1.879 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@](CO)(C(F)(F)F)C3)C2=O)cc1 1634206157 HKGLCSLCWYEDCB-KDOFPFPSSA-N 424.379 1.537 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 1634566294 ZXPANJNRSCCXND-MRXNPFEDSA-N 419.938 1.546 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)NC23CCN(CC2)C3)cc1[N+](=O)[O-] 1635492941 HYQJANOBUQOQBN-UHFFFAOYSA-N 410.434 1.959 30 10 HDEE C#CCN(C(=O)NCCc1nnc(S)n1C)C1CCN(C(=O)OC(C)(C)C)CC1 1636543986 UVNOCPDERFQVID-UHFFFAOYSA-N 422.555 1.691 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)COc3ccc(C#N)cc3)CC2=O)C1 1636831392 YEWAPDHFUVCQSU-OAHLLOKOSA-N 414.462 1.273 30 10 HDEE C#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1637715008 AGMBLUHIAXOXKQ-JTQLQIEISA-N 410.801 1.498 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1639963332 VZLCZUWMBXQRSG-GCJKJVERSA-N 406.442 1.517 30 10 HDEE COc1cc(CNC(=O)Cn2cc3c(c(C#N)c2=O)CCCC3)cc(OC)c1OC 1641162653 BXGYPBOXQPPRKL-UHFFFAOYSA-N 411.458 1.941 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)C2CN(C3CCOCC3)C2)c(=O)c1C#N 1641514067 VSFXRZWQBSJUHE-UHFFFAOYSA-N 409.284 1.280 30 10 HDEE C#CC1(O)CCN(C(=O)CCSCC(=O)Nc2ccc(C(=O)OCC)cc2)CC1 1641976982 ZOLYHNOUMSTREC-UHFFFAOYSA-N 418.515 1.912 30 10 HDEE C#CCONC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1645285808 OWYCEJGZUIWLFO-UHFFFAOYSA-N 402.882 1.721 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC)(N3CCOCC3)CC2)c1 1648346388 FUTCAZDUDNDROM-UHFFFAOYSA-N 421.563 1.868 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 1648916360 YFJSPPWRVKJRBM-UHFFFAOYSA-N 403.479 1.868 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cc(C#N)c(F)cc2C)[C@H](C)O)cc1 1651372539 MMLHKBBXYXFDCX-SCLBCKFNSA-N 405.451 1.981 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(N[C@H]4CCOC4)C3)C2)C1 1652691276 YKPNLSNSVLBODJ-WZHMAMEKSA-N 404.511 1.363 30 10 HDEE N#CCSc1ccccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1653195868 KPGAYZJSIHCTBR-XYEKJYRLSA-N 407.517 1.243 30 10 HDEE CNC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1653950511 VNJNLXXOGPDJDF-JKSUJKDBSA-N 413.522 1.424 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 1655642776 WNFZHXRVMSLRDN-UHFFFAOYSA-N 422.533 1.658 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NCc2cnc(N3CCN(C)CC3)nc2)cc1 1658570336 YQPKTBRRHCIMSM-UHFFFAOYSA-N 416.551 1.647 30 10 HDEE C#CCN(C(=O)Nc1nc2cc(Br)ccn2n1)[C@H]1CCS(=O)(=O)C1 1670117633 AKAYOMSSJHTVDD-NSHDSACASA-N 412.269 1.146 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)CC1 1671279035 FJKYGUBLCJJAMR-NRFANRHFSA-N 411.462 1.077 30 10 HDEE Cn1cc(CNC(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)c(-c2ccc(C#N)cc2)n1 1680013835 GXHSAOBYBWQMGQ-QGZVFWFLSA-N 418.461 1.532 30 10 HDEE C=C[C@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1681794535 SZWXHMRTNPCHMJ-CHWSQXEVSA-N 410.437 1.316 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 1682127400 FYCDMQSFPXNJCZ-OAHLLOKOSA-N 419.283 1.831 30 10 HDEE C#C[C@H](NC(=O)NC[C@H](O)COc1ccc(I)cc1)C(C)C 1682897747 XIWLXOBADMNQQR-ZFWWWQNUSA-N 416.259 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1689842324 YLNUEMMXUXEVMT-OAHLLOKOSA-N 413.478 1.279 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCCS1(=O)=O 1689973644 KNVPLCQNZYVHSR-UHFFFAOYSA-N 417.535 1.579 30 10 HDEE C#CCN(c1nnc(C)n1CCc1cc(C)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1689981727 ACTNZAWPEPKMNG-GOSISDBHSA-N 402.520 1.773 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)C 1690101374 YOUURBASJGIAQW-UHFFFAOYSA-N 404.540 1.980 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1690138366 ZTKNAACYGFEKMI-IBGZPJMESA-N 400.571 1.920 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1690169991 VNHALDFUHOCJMT-UHFFFAOYSA-N 408.535 1.767 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690285542 CCAWHNMBDSNTTB-QGZVFWFLSA-N 412.494 1.978 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1690624614 YHBGOKCULSXAPM-OAQYLSRUSA-N 403.502 1.713 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NCC)CC1 1690666627 AYYXSKFLFBXODP-UHFFFAOYSA-N 415.473 1.238 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccs1 1690669763 OJYROBPIEHPBJT-KBPBESRZSA-N 400.508 1.934 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(N)=O)C1 1690682750 YCPDLGFLYKYERC-INIZCTEOSA-N 405.462 1.660 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NC)c2)C1 1690696690 HNTZDLGNPJEURD-QZTJIDSGSA-N 424.505 1.418 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(=O)OC)C1 1690720636 OPWHYFMFCLPGGI-INIZCTEOSA-N 418.519 1.854 30 10 HDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690736403 CVULGECDJMWYII-KRWDZBQOSA-N 412.519 1.687 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCO[C@@H]2CCOC2)c1 1698485599 JHBJCGCORUNAGC-GOSISDBHSA-N 410.478 1.339 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2cc(C)nc21 1705584917 CYZYDSOZLWTPLL-GOSISDBHSA-N 405.506 1.556 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cn2ccsc2n1 1705630106 GZZSMAQUQXWQRA-UHFFFAOYSA-N 413.507 1.244 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnccn2)CC1 1705662936 QNKPATWREPYFKZ-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1705695211 WCKFKPWREJWDBS-ULQDDVLXSA-N 416.526 1.197 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1705732883 FLOFRRMSAIEMEI-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC2CCOCC2)CC1 1705752042 GLWWDDLZVPZLQS-UHFFFAOYSA-N 405.934 1.980 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1705790383 SHXWISLNXMNOCI-UHFFFAOYSA-N 424.513 1.211 30 10 HDEE C=CCN(c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1705852480 TVJBXNYBXHVCCE-UHFFFAOYSA-N 403.508 1.435 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H](C)C1 1705884884 ZQAIDAFVNHFBNQ-YESZJQIVSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(Cn2ccnn2)CC1 1705900431 DDFWNTYLFRRBQL-UHFFFAOYSA-N 421.509 1.459 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2ccnn2C)CC1 1705902967 NQUDZQUNUPQYHY-QGZVFWFLSA-N 413.526 1.592 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1705904941 DBENWDYIAKASMP-UHFFFAOYSA-N 412.469 1.121 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnnn2C)C1 1705917794 XTEJTJYNTHEXMK-YLJYHZDGSA-N 417.514 1.277 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc(F)c1 1706870617 FUEJNNDNBUWHNT-FZKQIMNGSA-N 424.477 1.712 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1722353684 YXQKMGHHIYIQDI-IRXDYDNUSA-N 417.535 1.680 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722370769 QEJNLVJUIKMMRL-SJLPKXTDSA-N 416.503 1.510 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1n[nH]c(C)n1 1722387822 ZCXIUNHHKZAITE-UHFFFAOYSA-N 408.491 1.012 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NC)c1 1722395842 RKEMKEIMEVLQEO-UHFFFAOYSA-N 401.474 1.549 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722402663 XUKLLMYDQDIMFC-JOCHJYFZSA-N 421.545 1.892 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSCC=C)CC1 1722445972 HRHBFFHBKLBDJP-UHFFFAOYSA-N 411.535 1.620 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1C(C)(C)C 1722503106 VJZDLBJVMBFHSH-KSZLIROESA-N 405.543 1.898 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1722680812 ANXZCGVIFCAQKK-QGZVFWFLSA-N 412.556 1.983 30 10 HDEE CC(C)(C)c1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722897680 BJTQNJMUGBZGLG-MSUUIHNZSA-N 411.466 1.653 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)COCCO2)CC1 1724010364 NMZBQAGHASHADX-HXUWFJFHSA-N 402.499 1.336 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1727653350 LPTKJUNMZLFVQU-GOSISDBHSA-N 421.461 1.714 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1730730903 HSJYWPHLTZHMNE-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1740588593 BWUXQQUXNIVVJU-AWEZNQCLSA-N 407.478 1.826 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740598187 HKYYJYUUUTVZBF-JQHSSLGASA-N 416.526 1.456 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cn(C2COC2)nn1 1740600998 QETDDESWCTWMRQ-CQSZACIVSA-N 411.441 1.838 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740715657 DDRHIHNCPOQNIZ-SJORKVTESA-N 402.568 1.660 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740738818 MFLRZUXQBAHIQD-GXTWGEPZSA-N 400.321 1.863 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1 1740764843 KIQLERZRMUWROL-OTWHNJEPSA-N 405.543 1.879 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn(CCOC)c2)CC1 1740834364 TYQVDOYGEBIOES-UHFFFAOYSA-N 401.515 1.710 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1740835021 BIZNIKCCBJNRQP-SFTDATJTSA-N 403.527 1.811 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740873939 JRSCKBFCBBYNNK-VBKZILBWSA-N 415.498 1.010 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1740895931 ZWWYUNORTDDQDH-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](OCCOC)C1 1740955063 WEKBYZLTXIHXCL-MRXNPFEDSA-N 403.483 1.781 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1740955489 VXJBOZITBQBMGT-KRWDZBQOSA-N 408.462 1.508 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740958029 HFDNLPXSZXBATL-RYUDHWBXSA-N 400.405 1.310 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC2CCCC2)CC1 1740958622 RUXJXUGQPVBUAM-QGZVFWFLSA-N 416.526 1.459 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](SCC)C1 1740958653 SKDREAGTHGNTDB-HUUCEWRRSA-N 406.556 1.643 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1740962526 GUFVIGGWWOYFFR-UHFFFAOYSA-N 414.554 1.762 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@@H]1CCOC1 1741123735 ITFLGOOEIOKHPZ-JKSUJKDBSA-N 413.482 1.717 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1C 1748842180 FXZHJBGZBTYLMX-UHFFFAOYSA-N 412.457 1.757 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1748848905 XEUKLDILBOMWQC-UHFFFAOYSA-N 405.437 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCOCC1 1748855723 IYMXIMHYRLVTBU-UHFFFAOYSA-N 421.501 1.520 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1748922676 HXINOBJDOCWTIX-UHFFFAOYSA-N 419.489 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1748984382 LXMHWBOLHKMVIS-UHFFFAOYSA-N 400.490 1.662 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1748990577 YSHHJYKRLSLOSL-UXHICEINSA-N 402.587 1.904 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749456732 KWNUKUSWXFHONB-UHFFFAOYSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1749652197 JPDBMPGDBPHOCV-PMACEKPBSA-N 424.549 1.643 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1=O 1749874808 WUJYJBJPXGQQIB-LJQANCHMSA-N 422.489 1.457 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1749955209 STDBUFXYGFBAEK-FOIQADDNSA-N 417.489 1.953 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1750013891 IGJZPYUWLGHMPW-AZUAARDMSA-N 424.505 1.585 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1751099426 BKLGUEFJXGJKQY-BFUOFWGJSA-N 400.508 1.385 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1760203946 WCSIXTOTZSYWRQ-UHFFFAOYSA-N 421.473 1.159 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1760207919 BWEAVEWRHVPCGQ-IEBWSBKVSA-N 413.522 1.128 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CC1 1760260053 KUEGAUZPSYDVHT-KRWDZBQOSA-N 414.460 1.970 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760516577 QUPFNXRJZFHOHF-WZONZLPQSA-N 422.533 1.981 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCNS(C)(=O)=O)C1 1761544517 FZKKWNDRXRABBF-KRWDZBQOSA-N 408.553 1.610 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1761948240 FWFBWBFQDVCHSQ-ZFDMEJTGSA-N 417.514 1.425 30 10 HDEE CCc1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1764719116 BOQAFMXWFOYMRG-QGZVFWFLSA-N 402.524 1.630 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766489227 GOBSHZPXTNTQQH-LZICOFPGSA-N 414.510 1.935 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OC 1771223955 YZJJQRKNUYLATD-GDBMZVCRSA-N 402.455 1.183 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1772567151 PMLGQBCPRLPBBT-QGZVFWFLSA-N 416.526 1.271 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)Cn3cnc4ncccc4c3=O)CC2)n1 1849406889 HPJWQJGEUGOIFF-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE N#Cc1cc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)ccn1 1852053328 DTZOITQIJSUVCJ-UHFFFAOYSA-N 400.460 1.117 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCO[C@H](C#N)C2)c2ccccc2)cc1 1852748107 ASUAJVMBNFCMHD-IEBWSBKVSA-N 415.471 1.466 30 10 HDEE N#Cc1cn(CCN2CCO[C@H](c3ccc(Br)s3)C2)c(=O)nc1O 1853103292 LXSIDPIXPLSYAO-NSHDSACASA-N 411.281 1.718 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1=O)[C@@H]1CCN(C)C1=O 1853827787 FRGVIMHWKSGXNL-ZWKOTPCHSA-N 410.474 1.607 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854202636 QABRHIAGLWMXKH-IBGZPJMESA-N 406.490 1.159 30 10 HDEE Cc1ccccc1C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854253142 ROEXZURMXMCNTA-LJQANCHMSA-N 404.474 1.609 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC(Oc4ncccn4)CC3)CC2=O)ccn1 1854447028 CBWHELZKKMEBGR-HNNXBMFYSA-N 406.446 1.275 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 1854495793 WJVZDTYYRMOGIY-UHFFFAOYSA-N 417.409 1.898 30 10 HDEE C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854813996 LZKREGBQFUJCCI-CABCVRRESA-N 415.471 1.520 30 10 HDEE CN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)CC1=O 1855081931 VSEYQCFARVOCKM-QZTJIDSGSA-N 409.490 1.129 30 10 HDEE CN1C[C@H](C(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)CC1=O 1855453011 SPMWGMDRBYAPLA-APWZRJJASA-N 410.474 1.007 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(-c3ccncc3)nn2)CCN1Cc1ccc(C#N)cc1 1855601210 ZPPDLZLITPJXBA-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE Cn1cnnc1C1CCN([C@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855661278 CFZKRRYTGNTFKL-SFHVURJKSA-N 407.478 1.483 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)nn2)cc1 1856522493 YGRCKMKWAZHEDM-APWZRJJASA-N 404.474 1.943 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3COCCO3)C(=O)C23CCCC3)c(F)c1 1856599898 CSBDOVDXDVQWMC-SFHVURJKSA-N 401.438 1.596 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CCC#N)C2(CCCCC2)C1=O 1856621128 KIAXFYMRIILQOH-INIZCTEOSA-N 410.540 1.088 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)Cn3c(=O)oc4ccccc43)C1)CC2 1857231126 RDIMZGRLCLDEQS-HOTGVXAUSA-N 408.458 1.595 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O)n1cccn1 1857464379 BEFJVSAMIOUGKY-HOTGVXAUSA-N 408.462 1.239 30 10 HDEE C=CCN(CC=C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1858623004 HRFBHIFNECHUTC-UHFFFAOYSA-N 409.508 1.804 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(O)c1 1862625675 LTTJHJYXBQESBR-LJQANCHMSA-N 424.409 1.835 30 10 HDEE CCCCN(C)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870034531 NLCUMZOJFCZGIM-INIZCTEOSA-N 416.507 1.998 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N[C@H](C(=O)O)C(C)(C)S)cs1 1882712397 BDUDQIODTUJYKO-GFCCVEGCSA-N 403.526 1.988 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](S(=O)(=O)c3ccccc3)C2)cs1 1889875430 LOYKUFMIGPJVOW-AWEZNQCLSA-N 405.501 1.747 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(c3nc(CCOC)no3)CC2)cs1 1890399334 SRFOFNPLNLDAHG-UHFFFAOYSA-N 405.480 1.651 30 10 HDEE N#CCc1cccc(C[S@@](=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074681604 USNMVWKQWIFGOB-JYRCXFKTSA-N 401.444 1.776 30 10 HDEE O=C(OCc1ccccc1)N1CCO[C@H](CN=C2NS(=O)(=O)c3ccccc32)C1 2106115868 BYGKEOXOWXRERY-MRXNPFEDSA-N 415.471 1.763 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C#N)C1)NC(=O)OC(C)(C)C 2118165624 CYYCDTKOTVHKRP-DSGZJRDPSA-N 408.546 1.478 30 10 HDEE CC1(C#N)CN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2171887956 DBJRJIXPYKTUET-UHFFFAOYSA-N 406.201 1.524 30 10 HDEE CCN[C@H](C#CP(C)(C)=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388062 GIKNBESHQNMEND-CABCVRRESA-N 406.485 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)C1 2241946452 IUNVJAJOOPRPRP-INIZCTEOSA-N 415.446 1.825 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829486 UAYDCPHIECXDBL-CHWSQXEVSA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247910713 NYUZGICPYOPHLO-HXUWFJFHSA-N 424.303 1.584 30 10 HDEE CON(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247936078 TVBHJFVCSBCGEL-UHFFFAOYSA-N 422.291 1.304 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2248404363 LWYCZGGZGHZISZ-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251299054 HNSLVTGHGWBSME-MDZDMXLPSA-N 421.307 1.757 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830547 HUFABPIHRLJGDP-SFHVURJKSA-N 424.354 1.971 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@H](CC#N)C1)NC(=O)OCc1ccccc1 2258137824 BGYIQOIJRQKDGD-HOCLYGCPSA-N 409.464 1.020 30 10 HDEE CN(c1nccs1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267472543 RWFBTAFNWUCTET-UHFFFAOYSA-N 401.344 1.865 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCC(S(C)(=O)=O)CC2)OC1(C)C 2281796681 NQJJKWVFGNKXMY-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cn1nc(C(=O)NC2CCS(=O)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037547 XFRSTMRSYJAEIT-UHFFFAOYSA-N 401.725 1.014 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(S(=O)(=O)C(F)F)C3)cs2)OC1(C)C 2282195758 QTROAYQNNCHBNZ-UHFFFAOYSA-N 407.269 1.509 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2282309941 NBNITSDKIMCOLC-VWLOTQADSA-N 401.359 1.341 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4COC[C@H]4C3)cc2Cl)OC1(C)C 2282316558 FBTQPFINDNRQTJ-GHMZBOCLSA-N 419.761 1.968 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282425547 RAXWISWDLUBVGK-QWHCGFSZSA-N 400.375 1.727 30 10 HDEE CCCNCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282493539 WSIZANFAWMIYJS-UHFFFAOYSA-N 402.753 1.917 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCC[C@@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282494656 AQGKYGWJZKQMKK-UONOGXRCSA-N 407.363 1.449 30 10 HDEE CO[C@@H]1CC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495294 KKJJTZBPXFIXHO-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE CC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)N(C)C 2282497953 XCFDXIBJPODHDC-LBPRGKRZSA-N 402.347 1.192 30 10 HDEE C[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282499052 MSJUMVJVVFXUEM-FZMZJTMJSA-N 401.721 1.952 30 10 HDEE C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503749 FIPWLMUPFUCGOU-NWDGAFQWSA-N 400.737 1.749 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511707 OEQMZRDIVKHSTH-VWLOTQADSA-N 421.777 1.686 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1OCC[C@H]1F 2282831782 DRBDHDAPUMEQLB-VXGBXAGGSA-N 405.322 1.761 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCCC2(C1)OCCO2 2282839127 ZDOGEHUBSGPZDK-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE CC(C)[C@@]1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851529 DEDLRSWDDNHIHP-QGZVFWFLSA-N 401.359 1.829 30 10 HDEE C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852285 NGMUIXVEAYPDIX-STQMWFEESA-N 401.359 1.829 30 10 HDEE COC(=O)C1(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283572575 DJDWJYDQMGZXAN-UHFFFAOYSA-N 401.315 1.340 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@H](CC(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284411106 ZIIVKNNDNDTETK-SNVBAGLBSA-N 401.212 1.841 30 10 HDEE C[C@@H]1C[C@]1(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284411873 PIPIHBSUJGGVMG-QLJPJBMISA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H]3C(=O)O)ccc2Cl)OC1(C)C 2284413019 FYUZHXRXFDFOTH-CYBMUJFWSA-N 401.677 1.487 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284414618 RUVSGCDVVZVYMN-LLVKDONJSA-N 403.331 1.969 30 10 HDEE CS[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415267 WVJIVDGRWWRTDK-JOYOIKCWSA-N 421.371 1.530 30 10 HDEE CC[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365170234 KQTBQDTVKFGDFO-LIRRHRJNSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365198978 KJJBGWKKLAXSEY-ORAYPTAESA-N 401.525 1.684 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCC[C@@H]1CNC(=O)OC(C)(C)C 2365208008 RCYAJZRYKULOSO-CLCXKQKWSA-N 402.557 1.457 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CC)[C@H](C)NC(=O)OC(C)(C)C 2365208943 FHJPNUPDPLCGCB-KHYOSLBOSA-N 404.573 1.845 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)CCC[C@H](S(C)(=O)=O)C1 2377334725 LVPVHNYQHZUWJL-KBXCAEBGSA-N 404.529 1.858 30 10 HDEE N#Cc1cncc(S(=O)(=O)NCCC23CC(I)(C2)C3)c1 2381430857 MRMDNIDFSQLRDN-UHFFFAOYSA-N 403.245 1.979 30 10 HDEE Cc1ccc(C(=O)NCc2ccccn2)cc1/N=C1\N[C@H]2CS(=O)(=O)C[C@H]2S1 4193531 NZVMROQWFHNFIG-DLBZAZTESA-N 416.528 1.810 30 10 HDEE CCOC(=O)[C@H](C)Sc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N 20919792 RPFGZKCNLNPZCB-XPAGJJBOSA-N 424.483 1.507 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)CC1 57194355 JRYYCRUYZLEMPP-UHFFFAOYSA-N 404.474 1.456 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)CN2C(=O)c3ccccc3C2=O)CC1 70929312 FHWHCZWEZCDBEC-UHFFFAOYSA-N 403.442 1.582 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1 302888867 LBSWYTOHJNUCAO-UHFFFAOYSA-N 400.442 1.770 30 10 HDEE N/C(=N/Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NC1CCCCCC1 305748222 UTTYVOCPDRMDJH-UHFFFAOYSA-N 400.570 1.896 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 409530558 QFUWPSODLUUPAZ-UHFFFAOYSA-N 423.322 1.971 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 410187052 UYKTWZRFTDFDKW-OALUTQOASA-N 419.551 1.103 30 10 HDEE CC(C)Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 438562218 OAXCJSHSHCHDMG-UHFFFAOYSA-N 416.507 1.949 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)c2nc[nH]n2)CC1 439457039 POKFIHGRGBUGTN-XLIONFOSSA-N 421.530 1.954 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 462280506 NYZLYYKIJODMAB-AWEZNQCLSA-N 424.954 1.965 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-n2cnnn2)cc1Cl 465269665 ZOEWPSNCZJQNHN-GFCCVEGCSA-N 409.841 1.328 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 465470963 IOOJQHNFMCTGMO-PBHICJAKSA-N 414.535 1.477 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 478742311 CSHMEGHUVXBYNK-QZTJIDSGSA-N 424.522 1.588 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(-n4cncn4)cc3)CC2)cc1 506125365 LLRFTYPDHWSYSC-UHFFFAOYSA-N 408.487 1.645 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCC1CCC(C#N)CC1)c1ccc(S(C)(=O)=O)cc1 508369733 SGHRJXQBFXSTPQ-PMTKGXAQSA-N 405.520 1.888 30 10 HDEE COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 513120359 MTUIBALIMXASGT-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 515921990 MQRFHKBTTWVGMD-ROUUACIJSA-N 417.535 1.921 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 532513423 XZAQQTNQXMJLME-CVEARBPZSA-N 414.506 1.851 30 10 HDEE CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 533637015 IEONMRWILQJSOE-DOTOQJQBSA-N 408.842 1.996 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3nnc(CO)c3C2)n(-c2ccc(F)cc2)c1C 578116587 RVKKXEFVCFVXQE-UHFFFAOYSA-N 423.452 1.643 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 580381309 XGVZNCJPCFFJJY-ZDUSSCGKSA-N 402.480 1.032 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1 591814969 XYEOZOPCTRKKDJ-UHFFFAOYSA-N 422.334 1.611 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1 604465377 LLCUPSXSUJZJHM-HNNXBMFYSA-N 401.444 1.448 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 609311278 CIFLBTJCXWLXLJ-LLVKDONJSA-N 401.444 1.482 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cccc(OC)n2)C1=O 726114961 NNELOZFQIIJXRR-YZNZPZSRSA-N 413.503 1.664 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)CC1 729256582 BUSUXYRBKMSSRA-UHFFFAOYSA-N 407.518 1.446 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CC1 731601416 VEUSSWMMRPDFAN-UHFFFAOYSA-N 404.405 1.601 30 10 HDEE CCC(CC)S(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733859097 BFHHKANATCHHRN-OAHLLOKOSA-N 406.464 1.398 30 10 HDEE CCOC(=O)C(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 736131198 LWLXJZMOXOYXOW-UHFFFAOYSA-N 408.414 1.593 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CC1 747856932 PIFJWMQNWCZPHF-UHFFFAOYSA-N 424.545 1.781 30 10 HDEE COC(=O)/C(C)=C\COC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 748155179 KMBFBLLNCRVXDE-CTXBLAANSA-N 408.476 1.802 30 10 HDEE COc1ccc(CNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)cc1C#N 749862344 PEUKPIYEFAWHDL-UHFFFAOYSA-N 417.433 1.061 30 10 HDEE Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751660564 YMBNGVVBAURCCW-SJORKVTESA-N 404.536 1.783 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@@]1(C)CNC(=O)OC(C)(C)C 753028721 XGLNCUGCJWOOIB-YFXUYPJSSA-N 420.510 1.912 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 763605281 INKIBDGWANDOCW-RDJZCZTQSA-N 406.527 1.803 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1F 773354038 FWKIMXYQPBZYDP-OAQYLSRUSA-N 410.380 1.846 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 773570025 UIQOPKHVQKVKGG-JKSUJKDBSA-N 400.483 1.652 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCc1nc(-c2ccncc2)no1 781595194 AUGRGHOKDUHNPO-UHFFFAOYSA-N 401.379 1.580 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)c(C)n1 781658791 VFNIUZHVGWVELK-UHFFFAOYSA-N 412.515 1.293 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)n1 788370710 XDDWISPRQUAYSG-QHCPKHFHSA-N 406.486 1.565 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)C2CCN(C(=O)OCC)CC2)n1 789220352 OUDRFGSPXCDTKG-QGZVFWFLSA-N 419.526 1.931 30 10 HDEE COc1cnccc1N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 794703339 BQDNLWNWGPGLSZ-UHFFFAOYSA-N 420.473 1.506 30 10 HDEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1 794893733 BAUPTDPXDIULCH-SFHVURJKSA-N 402.447 1.951 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C#N)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807937590 HXBIOBKFFGNBQQ-CQSZACIVSA-N 417.882 1.608 30 10 HDEE NS(=O)(=O)c1ccc(C=NNS(=O)(=O)c2ccccc2)cc1Br 807944765 OQLPSOWXUHGWMD-UHFFFAOYSA-N 418.294 1.409 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 809926663 OQJUFEONGIEHKV-UONOGXRCSA-N 406.487 1.084 30 10 HDEE N#Cc1ncccc1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 813163108 QHJHNDXDFUVJDC-UHFFFAOYSA-N 405.407 1.470 30 10 HDEE CC(=NNC(=S)NCC(N)=O)c1ccc(Br)cc1Br 814844318 FXQIFWUDOIEZGP-UHFFFAOYSA-N 408.119 1.885 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCN(O)C1=O 816692183 IIROSVMJOMCRFR-MRXNPFEDSA-N 409.398 1.211 30 10 HDEE C[C@@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 1076430827 ODJLBQGVINUMMR-FDSZRRAQSA-N 404.503 1.898 30 10 HDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)c1 1084369833 XPIDDZHVFJLSSC-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE CCOC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 1127753557 KNYQSGNLENVSLJ-QWHCGFSZSA-N 409.464 1.925 30 10 HDEE N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)nc2n1CCOC2 1135006107 PAJPSUPQUMZFHV-HNNXBMFYSA-N 409.446 1.541 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc21 1136108086 YIABSOJMPXXEJA-UHFFFAOYSA-N 419.489 1.533 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1137895699 IARRXKZCVCXUOG-CQSZACIVSA-N 400.298 1.403 30 10 HDEE N#Cc1cn(CCC(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c(=O)nc1O 1144566305 BCKANNZGHPTVAH-UHFFFAOYSA-N 400.395 1.431 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1147966712 CLHYYWSDVYWZOK-UHFFFAOYSA-N 423.491 1.834 30 10 HDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1155874031 TWSDJYBPBJYKNH-UHFFFAOYSA-N 404.319 1.486 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)C2(C#N)CCSCC2)n1 1167420319 ITMGCSDDAFJIQF-UHFFFAOYSA-N 407.496 1.860 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 1176380904 GIDMLHDZBFQIFB-YVWKXTFCSA-N 416.497 1.808 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1177754913 PFYYPZOZEZMYHP-HXUWFJFHSA-N 417.575 1.918 30 10 HDEE Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)O2 1178757478 RGWVSWDLJBHZSG-RVHYNSKXSA-N 418.515 1.798 30 10 HDEE C#CCN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)CC(F)(F)F)CC1 1197440483 YIXKMDFTFDHOBV-UHFFFAOYSA-N 406.449 1.153 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286395494 RMYUDAYXZMAMBC-SJORKVTESA-N 422.551 1.452 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1286496151 OMXCHHLEOYCOIV-RHSMWYFYSA-N 410.569 1.385 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CN(C)C1=O 1286574083 TZJVMZSNUGFIDA-FQEVSTJZSA-N 400.483 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1286787709 YYHBJKAAAFLQEE-CQSZACIVSA-N 407.478 1.396 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CC2)C1 1286798807 OSILDULHWFKOSB-HRAATJIYSA-N 412.494 1.868 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1288999363 LOBVRHRZJLWEOS-SJORKVTESA-N 412.469 1.651 30 10 HDEE CSCc1nc2ccccc2n1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289436280 MFHJWSIVOSUDOR-SCLBCKFNSA-N 404.517 1.296 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCc3sccc3C2)c1 1292094851 VJXYFKRLBUEJJD-UHFFFAOYSA-N 407.492 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C2)C1 1294492595 JVJUELQLUVAOJT-DMTCDCDWSA-N 402.495 1.653 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1295065371 FETJCARBUAAYDZ-MJGOQNOKSA-N 418.505 1.900 30 10 HDEE C=C[C@@H](COC)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1296764667 ANSQWSHIQDBGSR-XOBRGWDASA-N 414.499 1.651 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)CCOC 1297189479 WMERCYKKFGHIGX-FQEVSTJZSA-N 416.482 1.137 30 10 HDEE CCS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297767494 LDCIODFVSQSRFN-KRWDZBQOSA-N 421.571 1.052 30 10 HDEE CN1CC[C@](O)(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1 1298885452 JOCMFFCIDYBWSI-JOCHJYFZSA-N 424.553 1.235 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1300376044 FCGQHWJGDBZDNN-OAQYLSRUSA-N 419.526 1.029 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300601688 KCRDOSFRCHKZAA-LIRRHRJNSA-N 423.514 1.395 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ncn(-c2ccccc2)n1 1300671443 ITSPAUXHFCHYFJ-QGZVFWFLSA-N 407.478 1.497 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)cc2)CC1 1300703251 CQDSEUPPJWPRCY-UHFFFAOYSA-N 415.501 1.166 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300871856 DDCUEFOFVVONNV-QXSJWSMHSA-N 419.482 1.512 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N(C)C 1300919016 PUMQMPFKYCZXOA-UHFFFAOYSA-N 412.585 1.928 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301216260 GXLZKNGNLMKYDI-CQSZACIVSA-N 421.523 1.985 30 10 HDEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301278156 GJMSFWRURKAHNZ-IBGZPJMESA-N 402.476 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301500892 QNWXKGUAALYAKT-IRXDYDNUSA-N 415.498 1.133 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1302436090 AMUSPSCTTKKEOP-GDBMZVCRSA-N 414.510 1.946 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CSCC(=O)N2CCOCC2)C(F)(F)F)c1 1302874256 QVNQRIRLBSZNMP-INIZCTEOSA-N 401.410 1.870 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)CCO1 1303002238 UKRCXEJZTIDTCB-INIZCTEOSA-N 410.482 1.140 30 10 HDEE C#CCN1CCC(NC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1303793245 YITVZTSYQLMVPK-JOCHJYFZSA-N 401.507 1.355 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1304653037 UUAMAZBRHMNJDE-JSGCOSHPSA-N 408.553 1.807 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)F 1305790409 IGHFFRLXDIQTOH-CYBMUJFWSA-N 400.430 1.207 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4cncc(C#N)n4)C3)[C@@H]2C1 1307195615 ZLMQNOFECOSGHK-ZNMIVQPWSA-N 400.439 1.367 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC 1311961925 CGFUXVOORWZAQP-LSDHHAIUSA-N 410.496 1.209 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1314139317 GSCSGVIAZXKAID-YLJYHZDGSA-N 404.515 1.145 30 10 HDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n1 1314930043 CIKQAAWXCYWMNV-NRFANRHFSA-N 419.493 1.280 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1315794056 LEBQMYOPOPSKMG-GOSISDBHSA-N 410.478 1.289 30 10 HDEE COC(=O)c1coc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2ccccc2)c1 1318314773 DRCKDTMJROPHPP-UHFFFAOYSA-O 418.495 1.214 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCCS2(=O)=O)cc1 1355743374 FRASLBIGTCZQRN-STZPCZCHSA-N 413.521 1.405 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1358889650 FGLLXUAZIZDJEF-HZPDHXFCSA-N 409.556 1.505 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1358908065 KLMCHMFUUMVBRL-INIZCTEOSA-N 419.493 1.391 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358966342 MXLBHMSNAXMUFV-IBGZPJMESA-N 418.563 1.984 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1358966609 SGDAUKMOXDTNPR-QGZVFWFLSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCn2ccnc2C1 1358985997 LONRCLYBNABGJK-RTBURBONSA-N 410.522 1.924 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358999269 LUQKPMULONIACK-FQEVSTJZSA-N 424.549 1.777 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1359005471 JWYLLKJMXZJTAW-UHFFFAOYSA-N 416.503 1.958 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1359049476 PUZJBXGLLRAKSE-SOUVJXGZSA-N 415.585 1.116 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359085522 QVSXKSUULLPOSN-LSDHHAIUSA-N 417.311 1.887 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1359291256 JPQGSPZRZKYDBN-UHFFFAOYSA-N 415.454 1.263 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(C)(=O)=O)cc2N)C1=O 1448757336 SDYVNVYWISLFAN-IBGZPJMESA-N 424.523 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCC3=NNC(=O)C3)C2)C1 1450667191 QWVFCBJYLVMGIO-LQZXRHCMSA-N 403.483 1.546 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1452946819 HQYOHQSJTPSOAL-IBGZPJMESA-N 401.488 1.803 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)CCS2 1457001382 LKSPPPKMPXEBLQ-DUOMGYDGSA-N 407.492 1.237 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NCC#C[C@@H]3CCCCO3)cc2[N+](=O)[O-])CC1 1457028646 JDXAHFZIBYUYGB-SFHVURJKSA-N 414.462 1.566 30 10 HDEE N#Cc1ccc(NCCNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)nc1 1464044378 XHVQCMAKMGAPTB-CYBMUJFWSA-N 405.505 1.083 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 1465880309 CYAXDTZPEWJSFM-INIZCTEOSA-N 406.504 1.939 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1466126020 GWWQKVFGNFOVQV-QYWGDWMGSA-N 409.527 1.678 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2cccc(C(=O)OC)c2=O)C1=O 1467662247 UZRQOOBSBSCVCI-FQEVSTJZSA-N 420.466 1.337 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CSc2ccccc2Br)CC1 1467815425 YCXRITCQBRBPCV-UHFFFAOYSA-N 410.337 1.435 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 1468539613 UGIRPRQEOLWDQA-HRAATJIYSA-N 415.494 1.362 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3cc(F)ccc3F)CC2)C1=O 1468949050 LKUQWNTZPISDFL-UHFFFAOYSA-N 405.401 1.723 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)CN2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 1469182501 PCNYCIUAXFTSAW-SFHVURJKSA-N 402.344 1.871 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC12COC2 1471719981 QJYGMVCVPPKACC-QGZVFWFLSA-N 420.506 1.675 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 1475697416 MJCCQCOWEJABPB-OAHLLOKOSA-N 404.529 1.355 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 1477387214 LLVVGTKNAUUSJM-UHFFFAOYSA-N 403.479 1.222 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1494135744 GNWOJAQVRLULSV-VFNWGFHPSA-N 410.526 1.939 30 10 HDEE CCCCN(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1500421967 AEURPHHHLVFYRP-GHTZIAJQSA-N 420.558 1.779 30 10 HDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)C(C)C 1503975341 FANSWEYCOVHNRR-KRWDZBQOSA-N 405.524 1.969 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507631630 FQJHARULBSYCJE-MJGOQNOKSA-N 419.595 1.904 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(C(N)=O)CC1 1508075877 XXWZDLKNCJVKBZ-UHFFFAOYSA-N 420.876 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)Cc1ncc(Cl)n1C 1508144674 RRLMTJFXEMOKMD-UHFFFAOYSA-N 412.947 1.855 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1508729366 GDDJRYOTUZXEAG-QGZVFWFLSA-N 422.493 1.933 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539046521 VAZDTUAICAPVJJ-UHFFFAOYSA-N 419.489 1.853 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOC(C)(C)C 1539249747 BJDBWCNYNVIMTQ-UHFFFAOYSA-N 404.478 1.809 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1539340063 CQQSGMPBLQUQAH-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1539574468 LETWJNFICQRBSZ-UNXYVOJBSA-N 424.340 1.981 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H](C)O1 1540533426 XPYUPWGTENOJSA-KBPBESRZSA-N 411.499 1.741 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2ccccc2)C1 1540861892 KJRVEBIWHDTOOX-GOSISDBHSA-N 408.506 1.810 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1540962930 VUKZZCNECPZRHV-FQEVSTJZSA-N 424.505 1.681 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(O)cc1 1541927303 HWVMUCGYDHPTGY-SCLBCKFNSA-N 422.486 1.279 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1ccc(OC)cc1 1542104351 WYWVWXMMASEKGA-KRWDZBQOSA-N 403.479 1.848 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)cs1 1542908865 OJEOQRSGOLQGTC-UHFFFAOYSA-N 408.553 1.809 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1543060711 STPOFJSNQYSYNG-KRWDZBQOSA-N 400.523 1.521 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)COCCNC(=O)OC(C)(C)C)cc(OC)c1OC 1544487067 RHDIZSRHOOFVHJ-CQSZACIVSA-N 423.466 1.935 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1552662328 CFAMSODPPJPGPI-MSOLQXFVSA-N 410.478 1.261 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1555807839 GOGSRUHQFOVQLS-RDJZCZTQSA-N 401.492 1.762 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC2CCOCC2)CCO1 1555993569 QEIOIEMJJZGKAQ-FUHWJXTLSA-N 405.499 1.487 30 10 HDEE C=CCOC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC 1556375131 ANGJXGBTQLEKJE-GJZGRUSLSA-N 423.853 1.405 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)COC(=O)N2 1557503960 PNZISDRCGKAGET-LLVKDONJSA-N 400.416 1.926 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccccc2Cc2ccccc2)c1=O 1559440265 FWZNTNXHPRYPOV-UHFFFAOYSA-N 404.426 1.103 30 10 HDEE COc1ccc([C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)c1OC 1564854007 JBHWLDIWPKMXQR-GFCCVEGCSA-N 413.434 1.474 30 10 HDEE CO[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)s1 1565630234 VMVPTOZDPPGOSV-NXXVSJRMSA-N 414.281 1.841 30 10 HDEE C#CCN(CC(=O)NC[C@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C 1566335435 AVCSRGLNOCJXTA-AWEZNQCLSA-N 406.435 1.142 30 10 HDEE C#CC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1570221336 LECRHVHTHHQCQY-AWEZNQCLSA-N 414.462 1.571 30 10 HDEE C#Cc1cccc(N(CC)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c1 1585085298 MKQWCVFIZOLPBM-UHFFFAOYSA-N 419.890 1.752 30 10 HDEE NC(=O)c1ncn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1585625362 MVQBRZBSAQWFPW-PHDIDXHHSA-N 421.248 1.006 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(CC)(N2CCCC2)CC1)c1cc[nH]n1 1586847610 ZHYUKOOTQPJDSR-UHFFFAOYSA-N 405.499 1.561 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1COCCO1 1588128970 WDHWZEDNRCADQH-OAHLLOKOSA-N 404.430 1.082 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1588434096 VSBQJSXYSQNFDZ-GDLZYMKVSA-N 413.547 1.787 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1588844020 HZWZLVDONXIRQX-CYBMUJFWSA-N 405.314 1.561 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1589088703 GAOHWELRKFZITP-UHFFFAOYSA-N 412.563 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1 1589568521 KEFJBOCXGKEYTN-BXWFABGCSA-N 416.526 1.083 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC 1589625843 PFIXFANIDWWUFE-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccn2)CC1 1593758193 XAZBBOREXOCYMQ-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1594949371 YTSCRURTKWJYGQ-IRXDYDNUSA-N 414.510 1.826 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1595601923 AKAQSSQZSDQBJE-XQQFMLRXSA-N 403.405 1.588 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2OC)C1 1595664515 FUZPXJRYMUGAEO-KURKYZTESA-N 419.526 1.347 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C[C@@H]1CCOC1)C1CC1 1595784824 KXUFIEHKZYFPAP-INIZCTEOSA-N 417.535 1.946 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCn2nncc2C1 1596349781 KQVZVPSIOMXXQB-MRXNPFEDSA-N 416.507 1.308 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614045201 HIKIVNRLQSGZIJ-PNBGARPFSA-N 422.489 1.945 30 10 HDEE CCOCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616736424 JTSCRRNEGGGZSO-NIQMNWOISA-N 420.539 1.671 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1617119147 IPKAGFXNUSNISP-YFHOEESVSA-N 421.406 1.411 30 10 HDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1619474447 CQHYTSVIHNVAEX-CQSZACIVSA-N 405.462 1.969 30 10 HDEE Cc1cc(C#N)cc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1 1625598313 HAIWWNOGKRXZSD-UHFFFAOYSA-N 402.476 1.801 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)NCCNc2ncccc2C#N)cs1)C(N)=O 1626860953 KDHMPPWPSFBIHT-CYBMUJFWSA-N 404.521 1.537 30 10 HDEE C#C[C@@](C)(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1627871029 VLNZGXLSUXOLKT-FQEVSTJZSA-N 406.504 1.777 30 10 HDEE C#CCN(CC(=O)NCc1ccncc1OCCCN(C)C)C(=O)OC(C)(C)C 1628976504 GYIDTGTUTCOOSH-UHFFFAOYSA-N 404.511 1.899 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 1631336254 SCSRYGINQNMWEK-MJGOQNOKSA-N 406.490 1.772 30 10 HDEE C=CCCC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1634883927 FIQKRSJETDLWDF-IAGOWNOFSA-N 412.446 1.777 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CCN(C)C)c1cccnc1 1635354463 XRXNDRAXBWCQFD-DNVCBOLYSA-N 415.519 1.429 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(N2CCOCC2)s1 1635384042 BEYZECWKBVRPKM-HNNXBMFYSA-N 408.524 1.903 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 1636475302 BWWUNMRFKVKXIC-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE C=CCCONC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1638923737 AXEWEGVLGYVSDG-UHFFFAOYSA-N 407.448 1.199 30 10 HDEE Cc1oc(-c2cnn(C)c2)nc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049891 MYNKNXLTOBXCMV-UHFFFAOYSA-N 409.402 1.901 30 10 HDEE COc1ccc([C@]2(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@H](O)C2)cc1 1639973980 RSONBKAESDAMKH-PTLVVNQVSA-N 419.481 1.877 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CS(N)(=O)=O)CC1 1641243455 PQSAUPGDJXIQSS-ZDUSSCGKSA-N 409.936 1.549 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC3(CN(C)C(=O)O3)C2)cc1OC 1643037453 PFIMNJBMFPYWLE-UHFFFAOYSA-N 405.451 1.888 30 10 HDEE Cc1cccc2c1NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)S2(=O)=O 1644140745 RXWPMJXWWPJCDM-UHFFFAOYSA-N 406.445 1.272 30 10 HDEE COC(=O)c1cnc([C@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)s1 1647660688 HURLXVLATMAIMU-HNNXBMFYSA-N 412.471 1.937 30 10 HDEE N#Cc1ncn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1648125267 AOHQFJNQHQEWRG-BQBZGAKWSA-N 403.233 1.779 30 10 HDEE Cn1cc([C@@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)nn1 1648592093 VZQWWLJUEILVSQ-AEFFLSMTSA-N 413.551 1.465 30 10 HDEE CNC(=O)[C@H](CNc1ccc(C(=O)OC)nc1C#N)Cc1ccc(OC)c(F)c1 1651981479 KFBGMHQLDRFHFZ-ZDUSSCGKSA-N 400.410 1.904 30 10 HDEE C=CCN(CCOC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1655199146 ULAPGFDWTGNYCQ-ROUUACIJSA-N 412.508 1.487 30 10 HDEE CN1C[C@@]2(C)CN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C[C@@]2(C)C1 1655234858 VFXVCESUAYKQEH-ACIOBRDBSA-N 413.541 1.808 30 10 HDEE C#CCNC(=O)CCN1CCn2c(Cc3cccc(Br)c3)nnc2C1 1658438801 ZJRSXPJBFWSNNJ-UHFFFAOYSA-N 402.296 1.587 30 10 HDEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)C(C)C 1662809937 FEUHDGMEEZYDEB-SFHVURJKSA-N 407.536 1.786 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1674097610 HYFHXRNGNHNSRG-UHFFFAOYSA-N 418.519 1.989 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(C)cc3c(C)c(C)[nH]c23)CC1 1676346969 KIWGSWQLFIPSJG-UHFFFAOYSA-N 417.535 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CC[C@](O)(CC#N)C3)c3nccn32)C1 1676429614 QHDGHLHDKYYSHN-VBKZILBWSA-N 416.482 1.334 30 10 HDEE C#CCCN(CCOC)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1678021209 NPKSPISAZQOQSK-UHFFFAOYSA-N 406.914 1.670 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)CC1 1683464838 OIHPSAJMNMVEFS-NRFANRHFSA-N 412.534 1.367 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1684998179 XBCQOOVIXOENSY-JLYLLQBASA-N 402.520 1.746 30 10 HDEE N#Cc1csc(CNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)n1 1685524690 IJEVQJOESMMISU-SNVBAGLBSA-N 407.253 1.535 30 10 HDEE CC(C)(CC#N)CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1686737860 BEULRSFAJDXGBZ-CQSZACIVSA-N 416.544 1.650 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)OC2=O 1687665819 SRJVXJYJBNRUCP-VBKZILBWSA-N 424.473 1.966 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2csc3ccccc23)CC1 1687810079 CNBLYAJTDADFEG-AWEZNQCLSA-N 406.533 1.757 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1689826775 UREZJYJPAGPVBG-CABCVRRESA-N 404.540 1.461 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1689930318 PGQSATCVDZWAJH-MRXNPFEDSA-N 419.551 1.089 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCOC2)CC1 1690125188 CNVOLQGOMQTYNR-OAQYLSRUSA-N 417.460 1.054 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cnccc2OC)CC1 1690152510 NVIJBGLNNXPMMP-UHFFFAOYSA-N 412.494 1.232 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1690161378 CJSKPPBDSNSJFP-UHFFFAOYSA-N 424.530 1.478 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC)CC1 1690244495 XXEXOTAEXZRBLC-NVXWUHKLSA-N 412.498 1.178 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1690256399 LDFLNPVRTNIOSM-OAHLLOKOSA-N 417.539 1.987 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1690317376 YUHUGDZLDNNFMB-UHFFFAOYSA-N 404.515 1.085 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@H]1C 1690726438 ABQBCRBNKLHOCG-MRXNPFEDSA-N 419.551 1.868 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1690751163 WOVUVKRJGFRCKA-BEFAXECRSA-N 409.556 1.516 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1696518280 UQZCXYYLFIARPO-UULLZXFKSA-N 408.459 1.216 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC=CCO1 1698058888 PPPOZFPQWZVWMF-INIZCTEOSA-N 411.466 1.637 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705516428 BERXUDDSKFLFMO-QZTJIDSGSA-N 414.554 1.375 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705553506 QWOZXOUBCICWHH-VQTJNVASSA-N 422.533 1.304 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC2(C1)OCCO2 1705585292 PVZPAOAUVCCLLP-LJQANCHMSA-N 408.506 1.756 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@]2(N(C)C)CCSC2)CC1 1705637574 CQOFJXCXNHHSML-OAQYLSRUSA-N 411.579 1.533 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)C(C)C)CC1 1705640680 APCWEKOVLLMKPY-UHFFFAOYSA-N 424.549 1.405 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2CCOCC2)CC1 1705648982 FXFYUEJFHFWTAX-UHFFFAOYSA-N 408.506 1.733 30 10 HDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705690427 VVTQTPAMIZEMNK-UHFFFAOYSA-N 423.315 1.660 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)COC)CC1 1705702309 LHDVEBVMSSTTCI-YLJYHZDGSA-N 405.543 1.753 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1705740891 ZROVHFRDHXFZEU-OAHLLOKOSA-N 404.515 1.641 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1706058414 ACPZXSPGNDKOIS-IAGOWNOFSA-N 410.434 1.457 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1706751748 TWJSYVMEOMNEOF-YJYMSZOUSA-N 415.523 1.486 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1711159499 MLPYBVRRTSXOFO-MJWGMMHASA-N 416.526 1.866 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)F)CCN1C1CC1 1712884905 VQKGLKRCJDMCJT-KBPBESRZSA-N 409.441 1.035 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722697465 KYQRAIZMQSURMJ-ROUUACIJSA-N 412.494 1.335 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2nccs2)nnc1[C@@]1(OC(C)C)CCOC1 1722703508 ATNFGFOEZSSBGJ-LJQANCHMSA-N 420.539 1.714 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722726781 FJULMXQXQYDSSO-CVEARBPZSA-N 420.539 1.142 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 1726396832 CNUAEDILVNKGLY-QFIPXVFZSA-N 410.522 1.976 30 10 HDEE CO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730984986 PADBGMQWMRMVBR-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCOCCCO)c1 1731179100 MXJXQYRRUJVVGU-LJQANCHMSA-N 422.493 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1740555676 ACJPXCKVNFZEOP-OAHLLOKOSA-N 402.462 1.773 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740578486 AVTKRJDROQPWRL-OAHLLOKOSA-N 400.487 1.150 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1740616109 SMIHWINXSUNJTD-QGZVFWFLSA-N 419.551 1.497 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@H](COC)OC)CC1 1740695283 LSHMUSAOZGJBLW-KRWDZBQOSA-N 408.506 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2=CCCOC2)CC1 1740704306 LNWQCNHYMFIUFL-UHFFFAOYSA-N 407.478 1.048 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1740731969 NGWBUFXRXPNOCU-SQGPQFPESA-N 422.551 1.368 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740876536 UAVYOXAGCBBJAJ-OAGGEKHMSA-N 413.544 1.191 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1741002589 OZMCTIZOGUYEHV-UHFFFAOYSA-N 400.556 2.000 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1741125343 KBIIQKXSEGFYAO-CMPLNLGQSA-N 406.288 1.910 30 10 HDEE CC(C)NC(=O)CN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1741703822 FKMZULQSARCZLF-UHFFFAOYSA-N 413.526 1.735 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747288544 JDHFBDFIXNMUKB-DVSFIDLUSA-N 416.526 1.866 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1749574791 FOKVYZASRVEUGL-HNNXBMFYSA-N 419.555 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC=CO2)C1 1749698358 UERFQYHKFBWSKF-BZUAXINKSA-N 411.528 1.362 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H](O)C2)C1 1749717386 KIJQOIASCOTATC-RCCFBDPRSA-N 403.527 1.733 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1750095931 OWCZPDDVXIKBOZ-CHWSQXEVSA-N 415.479 1.506 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1750208446 CWZUBZVJRFMPIV-KSSFIOAISA-N 419.486 1.064 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1751093028 HZWDBNMWCSONTD-CVEARBPZSA-N 407.482 1.874 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1760103095 YDXSXTNWCBUPAA-INIZCTEOSA-N 401.536 1.902 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760117929 VXJFXOOJABLQQC-DRCYAFTPSA-N 406.552 1.579 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760135755 HRSPWRMVCXGOBG-AWEZNQCLSA-N 423.443 1.987 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1760235705 VCYZHUNGTFVNCR-UHFFFAOYSA-N 417.460 1.889 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760305444 GJADHOJOMRVBKP-NSHDSACASA-N 415.317 1.513 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1760352790 YEVBEJPNMYWRRL-QAPCUYQASA-N 410.544 1.611 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCN(C)C)CC1 1760385606 XWBYOVGBZBSMAW-UHFFFAOYSA-N 423.525 1.655 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1760419293 NLOGRUZGZQNHSC-UZLBHIALSA-N 423.583 1.841 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760449994 BEQCGNNGJLSJBH-SFHVURJKSA-N 416.526 1.993 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1760521983 JLWMKXIKFKPCMS-UHFFFAOYSA-N 401.515 1.397 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C(C)C)N1CCOCC1 1761194900 HVKRSOWHHINCGP-DLBZAZTESA-N 405.547 1.511 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N(C)C 1763244318 KOHXNQYLOJZUIL-VQIMIIECSA-N 407.522 1.968 30 10 HDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1766189424 MFWDMJVTLXDHOP-OAHLLOKOSA-N 422.493 1.934 30 10 HDEE CNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1769218624 IGGCIOWYYIJLKQ-CQSZACIVSA-N 416.482 1.477 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770787606 VVOYAOWQMYHRSP-MJGOQNOKSA-N 409.469 1.978 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1772842485 SWPREXBIKMSSQN-CYBMUJFWSA-N 401.471 1.374 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N(CCC#N)c1cccc(Br)c1 1849910554 ZTVLGFKSCVZJCO-AWEZNQCLSA-N 414.281 1.299 30 10 HDEE CN(CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1)Cc1ccccc1 1850213587 WRWAENONQONCCP-IBGZPJMESA-N 403.548 1.442 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCN(c4ncnc5ncccc45)CC3)cnc2c1C#N 1851773867 BDHBXVXEUXNGMV-UHFFFAOYSA-N 413.445 1.518 30 10 HDEE N#CCc1ccc(C(=O)N2CCN(Cc3cnnn3-c3ccccc3F)CC2)nc1 1852048322 NAAIWHFJCSJFDI-UHFFFAOYSA-N 405.437 1.825 30 10 HDEE CC(=O)Nc1cnccc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852117351 ABKCDVFDBOSBCV-IBGZPJMESA-N 424.457 1.848 30 10 HDEE N#Cc1cc(CNC(=O)[C@@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)ccn1 1852162085 QOVLPZIWVLNPRC-LJQANCHMSA-N 404.536 1.639 30 10 HDEE COc1ccc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1C#N 1852270011 JVHHBNFYIWGNER-IBGZPJMESA-N 413.499 1.847 30 10 HDEE N#Cc1ccc([C@@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)N2Cc3ccccc3C2=O)cc1 1852784591 YVNUKVPCXRZQDQ-UYAOXDASSA-N 423.494 1.949 30 10 HDEE O=C(c1ccnc(O[C@@H]2CCOC2)c1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853020837 ZQOLQMFPIMBPAA-LLVKDONJSA-N 407.370 1.733 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)CC1=O 1853301771 FDZPDVXNKXQYJD-AWEZNQCLSA-N 400.460 1.855 30 10 HDEE C=CCC[C@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC4(COC4)C3)ccc21 1853903356 LOTTZOSCPFEZLT-AWEZNQCLSA-N 404.488 1.726 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(Cc3nnc4n3CCC4)C3(CCCC3)C2=O)c1 1853945077 XCQGYUXVVHDGBI-UHFFFAOYSA-N 404.474 1.893 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)[C@@H]4CCOC4)C3=O)CC2)n1 1854440241 WGORMOYKRPFRJW-MJGOQNOKSA-N 412.490 1.598 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1854699803 XBTRVFIAYRELBP-BBRMVZONSA-N 422.407 1.323 30 10 HDEE CC(C)S(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1854783251 ZRLHUPUWIFSHGO-GOSISDBHSA-N 418.519 1.045 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1854828490 UQBIXULYJRMTPI-GOSISDBHSA-N 411.568 1.749 30 10 HDEE CCn1ncc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c1C(F)(F)F 1855008777 FZTJHWBBIKHJBD-CYBMUJFWSA-N 412.416 1.194 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)n1cncn1 1856080245 CQGAJIXAFIBMNS-CYBMUJFWSA-N 403.464 1.152 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@H]4CCOC4)C(=O)C3)C2)s1 1856310076 ZWAAFLCMTFLSHF-HZPDHXFCSA-N 402.520 1.291 30 10 HDEE Cc1cccc(CC(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857151238 SSUXNFNXNXNRIF-LJQANCHMSA-N 404.474 1.147 30 10 HDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCO)c(C#N)c(C)c1C 1870185992 VNVCMKJXPOXRDB-UHFFFAOYSA-N 402.476 1.189 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870541407 DOUZAHVGXGEKPS-SCTDSRPQSA-N 419.522 1.318 30 10 HDEE CCN(CC)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cc1 1874434175 RGFNBQTZILOIIV-SRZZPIQSSA-N 418.523 1.908 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)NCCCOCc3ccccc3)s[nH]2)OC1(C)C 1981605431 QLWDLBGWDBSPSL-UHFFFAOYSA-N 418.328 1.988 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC(=O)O)Cc1ccccc1 1984875167 ZSTDNLCSJCUNLA-GOSISDBHSA-N 417.506 1.996 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985100086 CVJNMFPMZOQLPW-HUUCEWRRSA-N 410.320 1.907 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1992861489 VVVKBUCRGYMIBN-PGRDOPGGSA-N 420.506 1.872 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(Br)nn1C 2020336669 PEEVNHZJKOCEJV-UHFFFAOYSA-N 423.333 1.932 30 10 HDEE CCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174782554 RLMDKHWRRKEEQV-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE COCC1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2174787530 VEXKFCIYJVPSQY-CQSZACIVSA-N 402.517 1.082 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCc1nccn1Cc1nscc1C#CCO 2227099989 LWPQDPGOMYMRMZ-UHFFFAOYSA-N 406.467 1.961 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)O[C@H]2C1 2241296812 DOHOFWYVVSHYHR-SOUVJXGZSA-N 418.402 1.144 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778613 FMERJMLENQOWFC-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819812 KBRMJTMXPMLZPD-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247824528 YONFKLLTFGEUBU-UHFFFAOYSA-N 422.291 1.333 30 10 HDEE Cc1c(C(=O)N(C)CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247918111 JGCHOJKVLMTHHY-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE Cn1nc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247921330 NIAYJABZNJKLTB-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE CC1(C)OB(c2cc(Cl)cc(C(=O)NCCCS(C)(=O)=O)c2)OC1(C)C 2281826652 LBILODIYUUQGIX-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CN(C)C[C@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281975695 QMFYBNNNFVJMTR-NSHDSACASA-N 402.753 1.695 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC(O)(CO)CC3)sc2Cl)OC1(C)C 2281976462 BSUQPTHGUUDBGA-UHFFFAOYSA-N 401.721 1.660 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2282027209 NCRQYPHDTBGWAT-UHFFFAOYSA-N 402.347 1.385 30 10 HDEE CCCN(C)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282304452 KPQKGGCKQKYTEK-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310877 ZRYZHQFBOKVILC-OLZOCXBDSA-N 400.375 1.904 30 10 HDEE CC(C)(O)COCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282339968 ZPDJVFSIISNJFX-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342805 MLFIFRLBXBOMHJ-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CSCCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282408706 JWIUEPJBKBIRNK-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE C=C(CS(=O)(=O)N(C)CC(=O)NCC(F)(F)F)B1OC(C)(C)C(C)(C)O1 2282498004 XQEFPXGOFOSQPS-UHFFFAOYSA-N 400.228 1.114 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCS[C@H](CO)C2)OC1(C)C 2282502100 GRNOQCALDVQWDG-ZDUSSCGKSA-N 419.399 1.287 30 10 HDEE Cc1nc(S(=O)(=O)N(C)CC2(Cl)CC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282512955 WSQQIICFJXIVNH-UHFFFAOYSA-N 403.741 1.420 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282618412 MJKVODYGZJWYES-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H](CO)O1 2282629494 WNWPNJZQCXCGEV-MNOVXSKESA-N 401.721 1.923 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282634006 GYDJQKPVFMUITP-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCO[C@@H](CCN)C3)c2Cl)OC1(C)C 2282663348 OFGPBKWZQYCWHK-NSHDSACASA-N 400.737 1.891 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1ccc(C2OCCO2)cc1 2282687981 NKMQIRUPLWFTFQ-UHFFFAOYSA-N 400.244 1.412 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(C(N)=O)CCC3)cc2Cl)OC1(C)C 2282828495 PCXUJOHWQUCGSL-UHFFFAOYSA-N 420.749 1.387 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282849137 XGLHKVVIBAJXEF-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(O)CCCC2)OC1(C)C 2282867247 VZHNHPLOXLXEHC-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE C=C(CS(=O)(=O)NC[C@@H](CC(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284396001 AMLSCWDKNFNPEU-SNVBAGLBSA-N 401.212 1.747 30 10 HDEE C[C@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284416409 XSCABJCKMUYKKG-CMPLNLGQSA-N 401.315 1.531 30 10 HDEE COc1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1OC 2296930566 XGERFTWHEJUYTQ-GOSISDBHSA-N 417.414 1.727 30 10 HDEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300272854 ZQMDHJQKTZGRJK-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2362501354 RDMRMBGTPMMYAF-MNOVXSKESA-N 400.331 1.138 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2365209479 WEGNBPPBSOGAQF-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CC(C)(C#CC(=O)[C@H](O)c1ccc(I)cc1)S(C)(=O)=O 2365211533 MGQDCZRDUKOVTP-CYBMUJFWSA-N 406.241 1.720 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)OC(C)(C)C1 2365213087 UWQKDRZZBWWWIW-QLFBSQMISA-N 402.557 1.991 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367784763 PXHQWPHSUQWSPX-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2367804372 SBFAEXCCOKZNAZ-OWCLPIDISA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)(C)C 2367815843 IDVPJPBTKCRUOA-KUHUBIRLSA-N 402.557 1.457 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(CCO)CCC(=O)O)sc2Cl)OC1(C)C 2368602491 UTNKVRFDBJZPPI-UHFFFAOYSA-N 403.693 1.610 30 10 HDEE C#CCNC(=O)CCN[C@]1(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2379458683 GPVYEZSTQGCYMB-PGRDOPGGSA-N 415.490 1.606 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 34691678 CVGYUZNEGPYTQI-SFTDATJTSA-N 406.498 1.942 30 10 HDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1ccc(Oc2ccccc2)cc1 248033259 YGYJBZQCXBLQAU-QPXQOZNCSA-N 420.421 1.173 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2ccc(C#N)c(N3CCC[C@H](NC(=O)CC)C3)n2)C1 302880565 IKULRVSHTZOWFK-ROUUACIJSA-N 412.538 1.943 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 430350345 DDPCBMWKIQSYKN-UHFFFAOYSA-N 424.910 1.873 30 10 HDEE CNC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 435942446 OFAULSRTBCOPFW-RDTXWAMCSA-N 414.487 1.219 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)n(C)n1 445111285 BAYQAJKFTYLYBC-INIZCTEOSA-N 405.466 1.971 30 10 HDEE CO[C@@](C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 463488194 BMSNLLXYTAAGKV-IBGZPJMESA-N 406.508 1.389 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)o1 471189611 AHQBVFKAZOUUDP-MRXNPFEDSA-N 415.515 1.272 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 474459327 JZWVSNYKOMSCNW-KRWDZBQOSA-N 421.505 1.742 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)[C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N 489667495 OZZCZCFJAOEABU-OAHLLOKOSA-N 423.292 1.871 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c(Cl)c1 490461061 YVEOTQWVYYGEIG-UHFFFAOYSA-N 417.897 1.211 30 10 HDEE CC1(C#N)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 503966725 FKFSHSODTHETQK-UHFFFAOYSA-N 420.535 1.684 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCNC(=O)c3ccccc3)C2=O)cc1 503991992 DSSDYGWBOVFIJR-LJQANCHMSA-N 405.458 1.783 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)no1 505895334 WPWDJCWXBSUFEW-UHFFFAOYSA-N 411.437 1.808 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 506016475 CMROYPHKBTXVEK-UHFFFAOYSA-N 424.954 1.799 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2Cl)N(C)C)CC1 522309383 KWVPBKPXYFEMNS-SFHVURJKSA-N 407.946 1.572 30 10 HDEE Cc1cnccc1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533659948 GMKIMIPNWCYFLC-UHFFFAOYSA-N 413.503 1.520 30 10 HDEE CCc1cnc(N2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)s1 538148726 CBHMOJHBHPHELL-SFHVURJKSA-N 404.584 1.520 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 538987076 RWUHQIZHNPFIAL-UHFFFAOYSA-N 402.480 1.447 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 546168601 QHFULPZODMZYIH-UHFFFAOYSA-N 419.551 1.444 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](CC)C1 549250763 IIEAYNPKPPGJSI-XHSDSOJGSA-N 413.544 1.191 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccnc(C)n2)CC1)C(C)C 550839251 RZZLQLURYCCUFO-IBGZPJMESA-N 414.554 1.248 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 559241291 LJMMHZSVXWTYQF-IRXDYDNUSA-N 415.519 1.724 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 572859004 BMSRFEFMXPCFMX-WMZOPIPTSA-N 408.520 1.448 30 10 HDEE COC1CCN(C2(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)CCCC2)CC1 586860561 JTKIRRFXGBFKJJ-UHFFFAOYSA-N 416.497 1.853 30 10 HDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F 586864194 NNWXYHWSLUHWJS-KRWDZBQOSA-N 423.492 1.640 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)CC1 604182014 UQRKNBLBWCOLOC-KRWDZBQOSA-N 403.502 1.281 30 10 HDEE N#Cc1ccc(N2C(=O)C[C@H](N3CCN(C(=O)c4ccc(F)c(F)c4)CC3)C2=O)cc1 609121504 AAIRTUJTZJOFMI-IBGZPJMESA-N 424.407 1.926 30 10 HDEE CC[C@@]1(C)NC(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 609151293 BCCYDDMQPWFOON-IFXJQAMLSA-N 415.475 1.119 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)CC1 610259314 KBTDEOQLWCQVJN-GOSISDBHSA-N 419.441 1.101 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@@H](C(=O)OC(C)(C)C)C3)cc2C1=O 610446826 NQVYUTGLEZNAEK-MRXNPFEDSA-N 400.431 1.651 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cn1 610830717 XQVJBOLHQJAZRU-UHFFFAOYSA-N 401.398 1.447 30 10 HDEE C[C@H]1C[C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613156747 YYJOZIIPQDQPBF-LRDDRELGSA-N 405.422 1.188 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c(C)c1 623010596 FEBFVTYJLNGIBO-UHFFFAOYSA-N 423.538 1.487 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 669807759 UAJXLVBAZUHETR-QGZVFWFLSA-N 403.508 1.658 30 10 HDEE CCc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCOC 730140103 UQPCUAYBBSBXGB-QGZVFWFLSA-N 406.552 1.895 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144310 ZPDXJBIUNFVGGF-KRWDZBQOSA-N 406.552 1.949 30 10 HDEE C#CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 732953833 DQQJLBWWTKRXMP-GFCCVEGCSA-N 423.288 1.553 30 10 HDEE COC(=O)[C@@H](OC(=O)CNC(=O)c1cc(OC)cc(OC)c1)c1ccc(C#N)cc1 740207643 XCOKCZIKWXBMHH-IBGZPJMESA-N 412.398 1.763 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](c3ccc(F)cc3)O[C@H](C)C2)c1=O 742160749 FLSOXCBVKGHHMJ-CRAIPNDOSA-N 416.453 1.102 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1 744589254 BPPWQCLIASMKCF-AWEZNQCLSA-N 411.462 1.980 30 10 HDEE CN1/C(=C\C(=O)CN2CCN(c3nccn(C)c3=O)CC2)C(C)(C)c2ccccc21 745992415 ZIZKFCXXYMBHHN-HKWRFOASSA-N 407.518 1.783 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCN1C1CC1 753396143 JFPWYKVWJQFGMP-SNVBAGLBSA-N 413.222 1.865 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757589240 PUMMLMPRXMBNPB-WBVHZDCISA-N 421.519 1.898 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCc2cc(C#N)ccc2F)c1OC 771770189 FEVAJTXKPFVQHG-UHFFFAOYSA-N 408.407 1.980 30 10 HDEE Cc1c(F)cccc1-c1ccc(C=NNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)o1 771890255 OTKJJJWTNFYOEL-UHFFFAOYSA-N 420.422 1.104 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cc1 772546113 JFTRYROJIPAPBW-UHFFFAOYSA-N 415.475 1.073 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774166026 DOBKUEUKXSWSOL-QUCCMNQESA-N 418.563 1.029 30 10 HDEE C[C@H](OC(=O)c1cccc(F)c1C#N)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 778368676 AYPXZRIXUFFZJN-RYUDHWBXSA-N 419.434 1.767 30 10 HDEE CN(C)S(=O)(=O)c1ccc(OCCOC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780215173 PUGFCRNIRZFEAX-GOSISDBHSA-N 404.444 1.464 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)c1 784489758 XJXXBUPSWAHVJO-NJAFHUGGSA-N 411.487 1.991 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(N3CCNC3=O)c2)cc1C#N 787527392 KRKPGRNSLKKVAT-UHFFFAOYSA-N 407.430 1.660 30 10 HDEE C[C@H](OC(=O)c1c(N)cccc1I)C(=O)NC1(C#N)CCC1 787782882 MWEOXXIQXQLKJU-VIFPVBQESA-N 413.215 1.981 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(F)(F)C3CCOCC3)CC2)o1 791603415 MNVMOTCONXZYKY-UHFFFAOYSA-N 412.393 1.108 30 10 HDEE COc1cc(CNC(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)ccc1C#N 793264841 IARKUPAHMMIQON-GFCCVEGCSA-N 422.894 1.989 30 10 HDEE CNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(C)c1 796951130 XZLHQQVYHYAWAR-UHFFFAOYSA-N 410.430 1.255 30 10 HDEE C[C@@H](C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)n1cnc(C#N)n1 798489227 ZEOWGIGNUCDTEH-JTQLQIEISA-N 417.369 1.199 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CCN1C1CC1 800605121 AAFSZIYPMNOWHB-ZDUSSCGKSA-N 414.359 1.904 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)n1cnc(C#N)n1 806106688 YNNCALULHIOPSG-SSDOTTSWSA-N 407.305 1.254 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)c(C(F)F)n1 812275127 OGSYBEHYVMGQMN-UHFFFAOYSA-N 401.373 1.736 30 10 HDEE C=CC[C@@]1(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 816814270 MOLOSDZDDCOYBJ-BEFAXECRSA-N 415.556 1.825 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)=NO1 816837651 BPIBEMUPSIKCCU-CABCVRRESA-N 415.450 1.603 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(C2CCN(C(C)=O)CC2)C1=O 914548618 NGWFPRMHLSIHMF-INIZCTEOSA-N 406.483 1.904 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@]1(C)CCS(=O)(=O)C1 914678554 CGRYREODMJRJCL-JNAXZKDPSA-N 422.503 1.587 30 10 HDEE C=CCN(C(=O)c1nnn(Cc2ccc(OC)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 1125884682 WRQULOUHDXVOGN-MRXNPFEDSA-N 404.492 1.459 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1127181323 JJAJSXJRHLRBNQ-IBGZPJMESA-N 407.536 1.699 30 10 HDEE C#CCC1(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CCOCC1 1133710101 SAYLGNWULLXPBO-SFHVURJKSA-N 414.502 1.784 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](C)NS(=O)(=O)CC)n1 1136554202 PQPJUXFSVVNPAV-SECBINFHSA-N 416.554 1.066 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(C)(C)c2ccc(C#N)cc2)c1 1136711040 GWGHZXYLIALODQ-UHFFFAOYSA-N 414.487 1.499 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OC)c1ccc2c(c1)CCO2)C(=O)OC(C)(C)C 1138682101 WWVNNKCEBGOMJY-SFHVURJKSA-N 402.447 1.822 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1 1144335115 RMSNXUMKNBNZRM-AWEZNQCLSA-N 403.435 1.173 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 1149360122 QXAUNLDVCPEFGL-KSZLIROESA-N 414.506 1.670 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](c4nn[nH]n4)C3)C2)C1 1153002045 QDBMVCUBAIGPEG-PNBPBRNGSA-N 401.471 1.302 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCSC[C@H]2c2cnn(C)c2)c1 1157423405 JMOLYWWZZGIAEM-SFHVURJKSA-N 418.544 1.652 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O)c1ccc(Cl)cc1F 1157507313 FKAYISFLRLLWBQ-QBPKDAKJSA-N 404.829 1.194 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1158345150 DDJJCWSMJXXYFD-IMJJTQAJSA-N 414.911 1.871 30 10 HDEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 1175485689 OOLVCLFOGBAOIW-AWEZNQCLSA-N 410.496 1.089 30 10 HDEE COC(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1 1176711694 ZBJZXXAAKSIUPR-HNAYVOBHSA-N 417.512 1.967 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)co1 1179886707 SESTWRVYVFMTTE-CQSZACIVSA-N 419.459 1.259 30 10 HDEE C#CCOc1ccccc1CNC(=O)Nc1nc2cc(S(N)(=O)=O)ccc2o1 1210636265 KNHBWHLQLAWXPF-UHFFFAOYSA-N 400.416 1.809 30 10 HDEE C#C[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[C@@H]1CCCO1 1211582336 GGRWHMQLHGUMPT-STQMWFEESA-N 402.266 1.778 30 10 HDEE N#CCCN1CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 1227217593 GERYESTXFKGYEY-UHFFFAOYSA-N 413.931 1.249 30 10 HDEE Cc1occc(=O)c1OCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1264644996 JVWKJLRARJUXPH-FXBPSFAMSA-N 419.459 1.779 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286349482 YAMUTIIXEHYNNG-UHFFFAOYSA-N 416.551 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286398253 VMDOKJSCQVFMOC-ROUUACIJSA-N 403.552 1.679 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1286407644 YHSJCDKKBWDUDO-UHFFFAOYSA-N 424.530 1.401 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1286412370 ABWXPKSJFLRKDU-MSOLQXFVSA-N 421.492 1.601 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOCC)CC2)CC1 1286471619 OWPWAGQTWLGZNY-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2F)CC1 1286490709 PQKSBBNTAJPECZ-GOSISDBHSA-N 424.480 1.382 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnnn2CC2CC2)CC1 1286637039 RYTKYPRFONEIEA-UHFFFAOYSA-N 413.530 1.798 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1C(C)(C)C 1286766046 MQFCOQMNSGPUCV-UHFFFAOYSA-N 416.530 1.548 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CC(C)C)C1 1286787996 OCQCNVRAXHPIOH-CVEARBPZSA-N 409.556 1.355 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286819926 ZRZANVFMCFLZCR-UHFFFAOYSA-N 423.583 1.840 30 10 HDEE C[C@@H](CN1CCCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1288699099 DVGDMGPDLKEMGE-ZWKOTPCHSA-N 415.542 1.251 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OC[C@@H]4C3)C2)C1 1294596341 ONLSILVZAROCJS-LTWWHTJUSA-N 404.467 1.436 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3CCOC[C@@H]3C2)C1 1296189638 JLKCLWCZXQPNMN-INIZCTEOSA-N 405.296 1.300 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)C2)C1 1296940193 SIBONMAVMHEDCK-YYHKSVKZSA-N 411.524 1.419 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1297355923 WMSLNAITBXWSJL-SJORKVTESA-N 418.523 1.107 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1297981552 ATUOSGRWYQXITB-UHFFFAOYSA-N 424.505 1.681 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1300021488 YIJNHJGDAMYVKB-QZTJIDSGSA-N 402.495 1.871 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 1300469079 XQFFVBWQRCDKDO-UHFFFAOYSA-N 410.566 1.973 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1csc([C@H](C)OC)n1 1300545129 LJXJJZUZUHMLJG-HNNXBMFYSA-N 412.519 1.686 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CC(F)(F)CO2)CC1 1300683399 NNZLDTSCTVSTTK-HZPDHXFCSA-N 413.469 1.182 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1300742706 SGSMWZBXMVISLH-UHFFFAOYSA-N 403.533 1.664 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCS(=O)(=O)CC 1300895953 XMNUQMKCEUXVSF-ZACQAIPSSA-N 412.556 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2csc(C(F)(F)F)c2)CC1 1302924548 PAEDJILLEPXSDP-ARJAWSKDSA-N 407.439 1.392 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1303361106 WOXDNZUXPQDCRP-IAOFPLEJSA-N 415.498 1.177 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1305224283 DVMXLBYNDHQRQU-ATNYBXOESA-N 411.503 1.295 30 10 HDEE CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C[C@@H](O)CC1(C#N)CCOCC1 1308071005 PKWXBXJSMQBQHQ-KGLIPLIRSA-N 401.433 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNCc2cn(CCC#N)nc2-c2ccncc2)C1 1308858499 DUEIASKARWJJPY-UHFFFAOYSA-N 412.494 1.930 30 10 HDEE CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1313191196 RLXLHBWBVLMDSG-ZWKOTPCHSA-N 402.495 1.895 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 1313291071 IHXZDKUSGGPRGL-DOTOQJQBSA-N 408.340 1.997 30 10 HDEE Cn1nnc(Cn2c(N3CCN(c4cccc(F)c4C#N)CC3)nnc2C(C)(C)C)n1 1314934034 AHYABSSHWHNGKQ-UHFFFAOYSA-N 424.488 1.485 30 10 HDEE COc1ccc(NC(=O)c2ccc(C#N)c(OC)c2)c(N2CCN(C(C)=O)CC2)n1 1358361293 CJWXJWOILYBWFK-UHFFFAOYSA-N 409.446 1.891 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1358871913 LXRJHWSDIKZCEH-VXGBXAGGSA-N 407.525 1.104 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1358875004 HSDKKFJPCMBZMV-LLVKDONJSA-N 403.288 1.681 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358967484 LFLOLSXPAZRTRS-RCCFBDPRSA-N 424.567 1.647 30 10 HDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1359012510 PEBTWOCZFKXUON-UHFFFAOYSA-N 408.550 1.627 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359037624 QFUVCAQRFDSHPO-UZLBHIALSA-N 401.536 1.226 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](OC)C(C)C)CC1 1359043209 LPUNWYWVJRUPJH-IBGZPJMESA-N 410.522 1.977 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1359044325 CAXTVZGRUXESLU-VGSWGCGISA-N 415.538 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)COC)CC1 1359046635 ZVLONDNVUZWDSX-QGZVFWFLSA-N 410.522 1.512 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1359100072 WLOVYTCGQZHMOQ-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359226429 FXTPPXDJBJULQP-WOJBJXKFSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1359230436 SXDQOOLBEFCMBW-UHFFFAOYSA-N 400.874 1.661 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359285487 LBQRVCMCCHGBKF-UHFFFAOYSA-N 412.494 1.313 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1359468144 GFAPZAYBYFTFMU-AWEZNQCLSA-N 403.450 1.624 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(O)cc1 1360665322 CTCQKJNHCWTNLP-CQSZACIVSA-N 418.523 1.772 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1360728514 NHLZJJOKVLVKEL-GMBSWORKSA-N 403.508 1.870 30 10 HDEE C[C@@](O)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1360730881 AIHADWMXHHRCNL-MBOZVWFJSA-N 401.442 1.905 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)OCC 1438404493 PTJPGCCTOUDLKX-HUUCEWRRSA-N 410.833 1.436 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC)C(=O)N3CCOCC3)n[nH]2)c1C 1445236683 GOFGERGJVZLDGH-HNNXBMFYSA-N 400.483 1.443 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C 1446636729 VSPIFTKJMUOJSZ-IFXJQAMLSA-N 418.556 1.802 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc([S@](C)(=O)=NC)c1)c1cc[nH]n1 1449520724 HENUBYOZXNIUMM-NDEPHWFRSA-N 407.452 1.419 30 10 HDEE C#CCN(CC(=O)N(CCN1CCOCC1)Cc1ccco1)C(=O)OC(C)(C)C 1451479425 WBJYDVSUMJGCRY-UHFFFAOYSA-N 405.495 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCO[C@@H](CN3CCOCC3)C2)CC1 1454288174 INDQBYLNDONKNE-IBGZPJMESA-N 421.538 1.197 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1455215853 XRFSNUHFOLUTRL-FYYLOGMGSA-N 405.454 1.622 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1 1456521391 XQNIAPHOJIPTJK-UHFFFAOYSA-N 419.503 1.085 30 10 HDEE CN(CCOc1ccccc1C(=O)NCCn1cnc(C#N)n1)C(=O)OC(C)(C)C 1459889408 MYPGRAVSANCBPP-UHFFFAOYSA-N 414.466 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(Cc4ccncc4C#N)C3)[C@@H]2C1 1460674537 GUNUILQEIUNYOG-KURKYZTESA-N 413.478 1.968 30 10 HDEE CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](C)C(=O)OC 1463012473 AEQRYMVPMTYYDY-HNNXBMFYSA-N 421.519 1.759 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)[C@@H]1CCCO1 1463554897 CBGMTIQMNCMLCZ-OLZOCXBDSA-N 402.266 1.695 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccccc3F)nc2)CC1 1464845985 KURBQIQYKPJSMQ-UHFFFAOYSA-N 410.449 1.910 30 10 HDEE CS(=O)(=O)CCOCCNC(=O)c1cccc(CNc2ncccc2C#N)c1 1465231061 HBUIBQBWWQMYCV-UHFFFAOYSA-N 402.476 1.356 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n1 1466153593 FQKSAPVGGMURSP-UHFFFAOYSA-N 418.454 1.525 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1 1467886122 NBTRHCMNPORKSH-JVMRMLDLSA-N 418.494 1.907 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1478656279 WFIFUEAOZFJMMS-ILXRZTDVSA-N 403.483 1.917 30 10 HDEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1499794553 WNLDWZPNWBOCGS-AATRIKPKSA-N 408.510 1.976 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C 1502320673 MMTQWRAKWHYNLT-OPAMFIHVSA-N 407.522 1.825 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1505073851 WPPLAIOPIDBZSC-IDLUEMFASA-N 420.489 1.359 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1507533418 KZNAKCHATZONTK-APWZRJJASA-N 406.534 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1507537957 JSUULFLHKBNCHV-YOEHRIQHSA-N 415.519 1.645 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507577785 SOAXYCGHYPUZTB-INIZCTEOSA-N 412.881 1.159 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507610012 CTVDUBRSDXOQDC-LSDHHAIUSA-N 401.433 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507668858 NTKSENAOJXCBEI-LJQANCHMSA-N 411.531 1.832 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC(C)(C)O)n1 1507716215 IOPISKPQRQYAQZ-MRXNPFEDSA-N 402.499 1.036 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507726290 AQWIYERBKYPIPS-UHFFFAOYSA-N 413.547 1.438 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1507844465 KJJHLVDRJJFDDO-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507966353 WZSUFZOAMSLDGP-DLBZAZTESA-N 416.526 1.050 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1507967345 JNGAMUGYHRHKIH-ROUUACIJSA-N 402.499 1.477 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1OC 1508087717 PLTQIDAEWMJPPX-IAGOWNOFSA-N 424.505 1.882 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1508127296 URGHZDXWRQMFIE-ZWKOTPCHSA-N 424.567 1.778 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1508423041 HUJPIADDUGXFJX-IFXJQAMLSA-N 421.498 1.153 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1510306404 MFIVFOZGFRNCCD-OAQYLSRUSA-N 412.494 1.593 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1Cc1nnn(C)n1 1513680797 HEMVVBXTINPQQY-UHFFFAOYSA-N 407.482 1.731 30 10 HDEE Cn1cc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)cn1 1514879381 DYLMEZOZWTZGJV-OAHLLOKOSA-N 412.881 1.647 30 10 HDEE CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1515418201 BDHIEKMUOHMMHJ-DXQAYGFFSA-N 402.499 1.933 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)cn1 1515775932 GSXLGTIAHCAUSJ-UHFFFAOYSA-N 404.478 1.783 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1Cc1cccc(C(N)=O)c1 1519162419 GCUODCLPLLPUFP-UHFFFAOYSA-N 405.462 1.854 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@@H](C)C1 1519162716 HEBOIXLZXFVAHQ-SJORKVTESA-N 403.531 1.328 30 10 HDEE C#Cc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1526403660 HOKONOVKEZCFGP-UHFFFAOYSA-N 414.483 1.627 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N3CCc4c(C#N)cccc43)cc2S1(=O)=O 1529231598 GKIPHMQXKPUPJM-UHFFFAOYSA-N 411.439 1.552 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)C[C@@]1(C)CCS(=O)(=O)N1 1533005819 NQZFKSCALMQTBH-CQSZACIVSA-N 403.254 1.707 30 10 HDEE C#C[C@H]1COCCN1C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 1535553048 PKGDIYMYTWZXEQ-INIZCTEOSA-N 409.471 1.934 30 10 HDEE Cc1nccnc1[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1537442068 LPDYYSVTLRRKCM-OAHLLOKOSA-N 413.503 1.935 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1=O 1538451613 LUWXGDCEJHFEKB-CABCVRRESA-N 407.264 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl 1539026341 UNDUQYJAXCGINU-AWEZNQCLSA-N 402.886 1.986 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C1CC1 1539541980 QWGBBPQLYMLUCL-NHCUHLMSSA-N 401.511 1.449 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539623038 ZHPUDMLFVSGYDX-SQNIBIBYSA-N 409.556 1.572 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539721810 HYQCVHPBGGVIQG-IRXDYDNUSA-N 416.526 1.354 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539759835 LOCKAFGLPKHFIA-WIYYLYMNSA-N 421.542 1.628 30 10 HDEE CCOC(=O)c1cn(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1556444110 ASGAMAZREABIBO-UHFFFAOYSA-N 418.475 1.567 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)CC2=O)cc1Cl 1557238974 HTQHPAJHEIYUKT-WFASDCNBSA-N 414.853 1.851 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1558006780 GYFQBTUJRXEYCR-ROUUACIJSA-N 419.526 1.833 30 10 HDEE COC(=O)[C@H]1CN(C)CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 1559915818 BDYRQUWMBPVVKF-OALUTQOASA-N 400.523 1.975 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](C)(C#N)C3)CC2)cc1C 1560017624 OXKIWFXVCLXZAE-FQEVSTJZSA-N 404.536 1.372 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 1562197412 LHJLBJIHMWNGMQ-MRXNPFEDSA-N 423.539 1.713 30 10 HDEE C#C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1563707068 OUFITTLDQIEPSW-QGZVFWFLSA-N 400.479 1.739 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531358 RNNHGONQXPIUGR-BZSNNMDCSA-N 413.478 1.992 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(Cc3cccc(Cl)c3)CC2)CC1 1564900349 CVVOGABAPKYJGC-UHFFFAOYSA-N 424.954 1.458 30 10 HDEE N#CCc1ccnc(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 1566288699 BHBFJBIVDBIRJE-UHFFFAOYSA-N 420.516 1.854 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(CC#N)cc2)[C@@H](C)O)cc1 1570705597 RZHDIHOYEKUHLL-BEFAXECRSA-N 401.488 1.405 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1587673311 MYDQJLQRTFIELS-KRWDZBQOSA-N 417.535 1.659 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1588030225 RECYQJOPSVQDDQ-INIZCTEOSA-N 405.499 1.785 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2CCC)CC1 1588199152 HSKDHQUVNXGHHA-UHFFFAOYSA-N 415.519 1.050 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(CC)CC2)CC1 1588742414 RJNQIYCXINMFMN-UHFFFAOYSA-N 401.603 1.358 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1595239587 NTCQHGVZRPHDIS-SFHVURJKSA-N 416.547 1.940 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1595545508 YAUFPHZXOCTUSL-UPJWGTAASA-N 403.405 1.240 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 1595556521 WTRBDDSMASUBDM-HNNXBMFYSA-N 406.531 1.884 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1 1595569209 CDBMVSBBGPVTLQ-UHFFFAOYSA-N 418.542 1.487 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)cc1 1595614191 PKUPEZGVHQIYCQ-KRWDZBQOSA-N 410.478 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(CO)CC1 1595788497 BEPLKLMBURVIQQ-UHFFFAOYSA-N 405.524 1.458 30 10 HDEE C[C@@H](Cc1cc(Br)ccc1F)NC(=O)CCn1cc(C#N)c(O)nc1=O 1596444003 AHGFOPWABCYALT-JTQLQIEISA-N 423.242 1.860 30 10 HDEE Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1597463707 JGEBETDALZSUCN-UHFFFAOYSA-N 417.462 1.957 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1613016423 WLGJCESRHUDPGI-WMQDPJMESA-N 413.507 1.741 30 10 HDEE CCC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1614410655 ADOQWGCREBBSNA-LSDHHAIUSA-N 418.523 1.813 30 10 HDEE C=C[C@@H](C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 1616462756 KFFLUGNSJKSRON-CYBMUJFWSA-N 415.295 1.997 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1618029986 PABFBBJBGUGGJV-CQSZACIVSA-N 415.968 1.722 30 10 HDEE CO[C@@]1(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1619062866 MJIVJDLGUVGBHB-RTWAWAEBSA-N 419.526 1.864 30 10 HDEE C=CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)[C@H](C)COC 1620413569 AYLBZIHNBOSBGK-VLIAUNLRSA-N 404.467 1.016 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1 1626150226 PPMYUUHKKKHCIE-ICSRJNTNSA-N 420.387 1.876 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc4ncc(Br)cn4n3)CC2)c1 1629268272 CMHIYDHZQRPGOC-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)C1 1631331074 RIKWERPOBYILHD-GOSISDBHSA-N 416.478 1.713 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632077948 WJLLAFQARDMWFJ-HZPDHXFCSA-N 416.279 1.962 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)C1=O 1632248254 OZKJGOYPOJYVLU-JTQLQIEISA-N 411.340 1.136 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)Cc2cccc(C)c2)s1 1632999606 UXIAGXRNLGZRHB-INIZCTEOSA-N 408.545 1.783 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)c2cccc(C#CCO)c2)n1 1633432121 JVCZDAMUFRSPID-UHFFFAOYSA-N 412.446 1.481 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)CCc1ccccc1 1634672735 MFDBHVBTRVDOEZ-HXUWFJFHSA-N 415.515 1.891 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1634725514 YOUXADODAVDBIC-HZMBPMFUSA-N 407.282 1.831 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)C2)nc1 1638905804 CSZYJIJMIFPIBK-HNNXBMFYSA-N 404.430 1.352 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@@H](C)S(=O)(=O)C3)ccc2c1=O 1639977544 PVMOXYABULCOFE-YPMHNXCESA-N 407.517 1.567 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)COc2cc(C(=O)OC)cc(C(=O)OC)c2)c1 1640552080 GNXKCAFYOPIWSO-UHFFFAOYSA-N 410.382 1.968 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1643806889 GICRZPRYUXNUHN-UHFFFAOYSA-N 418.450 1.316 30 10 HDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2ccc(C#N)cc2)CC1 1644490087 BTNWMIHFWAHIPD-JOCHJYFZSA-N 404.514 1.992 30 10 HDEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2N1 1648790386 GXEYUWUNDAIXME-PRHODGIISA-N 423.355 1.022 30 10 HDEE Cc1cc(C)cc(-n2nc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2C)c1 1648790522 LPGRDSHVGWHQSG-UHFFFAOYSA-N 404.430 1.629 30 10 HDEE COCCn1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)ccc1=O 1650978426 BXOMPNYGYCWGGC-UHFFFAOYSA-N 421.251 1.291 30 10 HDEE C#C[C@H]1COCCN1CC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 1654691084 DONXQTQMXSOQGF-MAUKXSAKSA-N 403.866 1.845 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H](N3CCOCC3)C2)c1 1655408313 AEKGCVVCWRCQIU-OAHLLOKOSA-N 414.325 1.806 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1658952675 DXDRRVSGOIQXST-GOSISDBHSA-N 405.520 1.442 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(Br)cc1C 1666566628 NRGKWSVJSYPUED-JTQLQIEISA-N 412.352 1.630 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1671150203 CQEIETFAULFKLP-JTQLQIEISA-N 410.261 1.980 30 10 HDEE Cc1cc(NC(=O)N(CCC#N)CCN2CCOCC2)ccc1N1CCOCC1=O 1674718240 GQVOUHADWMTWRK-UHFFFAOYSA-N 415.494 1.438 30 10 HDEE N#Cc1cn(CCNC(=O)NCCn2c3ccccc3c3ccccc32)c(=O)nc1O 1680691413 FRLWABFEYGPDBZ-UHFFFAOYSA-N 416.441 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)NCCn1cnc(C#N)n1)C2 1682197036 NCPJRPOPBQBOGZ-IBGZPJMESA-N 403.487 1.725 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)C2)nc1 1683560035 FQGVNGYKWLKZOK-QGZVFWFLSA-N 402.418 1.563 30 10 HDEE C#CCN(C(=O)NCc1nnc(O)n1C)[C@@H]1CCOc2ccc(Br)cc21 1684772487 JEODLXGTVPBUGG-CYBMUJFWSA-N 420.267 1.952 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1689907485 ABGAISOMOYTOAO-GOSISDBHSA-N 413.526 1.548 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689986338 NLTGWYYJNAKDKO-KRWDZBQOSA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689991155 XBNABJBAGRWEHK-MRXNPFEDSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1690019647 NYCJGTIXCQQECP-BZSNNMDCSA-N 419.551 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@H](F)C1 1690093555 CEIYUQGNNISUGJ-SOUVJXGZSA-N 401.508 1.113 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)COC3)CC1 1690110691 WHLWAOYQPQQSSF-UHFFFAOYSA-N 408.506 1.250 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690246216 SOBNLHQTOFQTHX-BDXSIMOUSA-N 403.527 1.726 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690290702 WWIOCSDKXOBESG-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)CC1 1690375895 WLLXPRJGRMNVRO-MRXNPFEDSA-N 404.540 1.735 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690646351 QRQNDLCGNCGZTQ-QGZVFWFLSA-N 402.524 1.454 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1690677172 QFSJSUGOLYNDIA-DYESRHJHSA-N 421.542 1.626 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCOC3)nnc2N(CCC#N)CC2CC2)CC1 1690869289 CEQACUUTJMINEH-IBGZPJMESA-N 415.542 1.076 30 10 HDEE CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697001153 CGNNLKGXSNDYTD-UHFFFAOYSA-N 419.493 1.013 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1705494410 ZLRQJAYCNHHHCH-APWZRJJASA-N 410.522 1.676 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC 1705502617 HTUUBGGEPRVAHU-INIZCTEOSA-N 405.524 1.481 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705522822 GJIMITFORACSES-HXUWFJFHSA-N 409.450 1.370 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705538535 SAMMQJDIDYPFIL-KRWDZBQOSA-N 400.527 1.699 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705569994 LOTNZGPABILNHM-SFHVURJKSA-N 406.552 1.674 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1705571909 KWCKXQZGPLMGAF-ULQDDVLXSA-N 408.524 1.039 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC(C)(C)O)n1 1705631509 HVWCLHUHPXUSFV-UHFFFAOYSA-N 411.510 1.537 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1705660424 VIMRZSIDDNFTND-QZTJIDSGSA-N 407.584 1.695 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705717618 NVFFACVNPCBKSQ-IAGOWNOFSA-N 411.572 1.856 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1705717933 VXFFQPASZZFEEJ-CQSZACIVSA-N 405.528 1.169 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705830505 RDMPAXVMIVTIJI-RBUKOAKNSA-N 416.526 1.867 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCN1CCCS1(=O)=O 1705857966 NZVRYDKDXMXFQM-UHFFFAOYSA-N 400.508 1.686 30 10 HDEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c2ccccc2n1 1707274886 JWQHCNYTSJZXGW-QGZVFWFLSA-N 422.489 1.930 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@H](C)C1 1722304858 AHHVUTLPKUFNQE-SLHNCBLASA-N 419.570 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1722305936 MPOUAWVUMBROGG-JYJNAYRXSA-N 410.540 1.427 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722306098 GVAURPUYOORJNL-DOTOQJQBSA-N 400.527 1.715 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722316205 DGPZBKTVSDKMIR-IAGOWNOFSA-N 416.551 1.711 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722335577 FPRVAQFTLLEPKI-LSDHHAIUSA-N 400.508 1.985 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC1CC1 1722379314 ZHRMHDOHXDKTPZ-UHFFFAOYSA-N 405.458 1.315 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1722389621 JUHPPUJWAOEDKC-GAJHUEQPSA-N 424.501 1.965 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722599088 STRQGNVROWFGES-QGZVFWFLSA-N 415.542 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCOC[C@@H]1C 1722693676 WYIKZPQDGQEJKY-HNNXBMFYSA-N 407.478 1.863 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1722867425 GJLINNMNMBNZRL-JXXFODFXSA-N 417.535 1.684 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1730999210 UEDAUFHOIVLKGC-QGZVFWFLSA-N 403.508 1.603 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740589197 RAYVSHBDMDITFR-CABCVRRESA-N 402.499 1.746 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCCNC(C)=O)CC1 1740697807 GYLXHPORPPOROY-UHFFFAOYSA-N 419.533 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN(C)CC(F)(F)F)CC1 1740705328 FUCDOPIPTMKKAV-UHFFFAOYSA-N 412.460 1.615 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740756698 JUDZDZHZRWDILJ-UAGQMJEPSA-N 420.539 1.283 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(N)=O)C1 1740760367 PFTXHVDPAPUDMC-MPGHIAIKSA-N 416.551 1.927 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOCC2(C)C)CC1 1740827677 GUDIETPXPPWLIT-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740887314 FZHBZFZQXWPOBF-UWJYYQICSA-N 416.526 1.860 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)o1 1744447273 BFZGXYRRNJNNJZ-WCQYABFASA-N 409.516 1.534 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1744705016 AHSZYHQVOYKWMY-QFIPXVFZSA-N 409.538 1.101 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1748045637 JIIVNBCLQYTOQS-ROUUACIJSA-N 403.849 1.914 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)CC 1748674742 WXIOMADDPDDSRF-CYBMUJFWSA-N 411.478 1.544 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748756130 VVPMSPKXSAJOAR-AWEZNQCLSA-N 422.580 1.517 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC)CC1 1748979002 VKXNUIJMYDRAGU-LJQANCHMSA-N 424.549 1.926 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCOCC1 1749073721 WZMWTMPEWGWMLW-OAQYLSRUSA-N 414.554 1.503 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749098516 CHAXQQQTAOVHRX-GFCCVEGCSA-N 405.256 1.890 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cc[nH]n1)C1CC1 1749524721 BEFRRPTXWCILNX-UHFFFAOYSA-N 409.498 1.448 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1Cc1nnn(C)n1 1749585274 ZSIGKGVVRDEVMM-UHFFFAOYSA-N 404.482 1.486 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCC=C)C1 1749666464 MDWCLQHMRNCPBT-AWEZNQCLSA-N 414.466 1.089 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cnnn2)C1 1749714813 MYLLVVDPMFYPSG-QGZVFWFLSA-N 412.473 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC2CC2)CC1 1749730030 XOMGWOOHTPUCSH-UHFFFAOYSA-N 416.551 1.473 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1751019059 SKRQGYDGHYOANB-ZMYBRWDISA-N 406.462 1.039 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1760105190 MFMAHHHIPICFBG-CQSZACIVSA-N 407.482 1.151 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760137702 WDKWSJANXPTEIO-HZPDHXFCSA-N 402.499 1.748 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCC1 1760210570 TYVHEQKZINHQPE-INIZCTEOSA-N 407.540 1.168 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760230506 IAJBDYBILCJKAN-INIZCTEOSA-N 417.535 1.695 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760314631 YLOZSWVNCWQGES-DZJNRPSUSA-N 419.526 1.739 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760314633 YLOZSWVNCWQGES-OWLYRPNTSA-N 419.526 1.739 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760328084 QELCBUNLVWQICV-MKSNKDDYSA-N 408.499 1.156 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[S@@](=O)C(C)(C)C)C1 1760534780 GEAOPHQLBAAERS-WQIZZMQYSA-N 411.572 1.745 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1760692872 FDRLDNNVRWKMQP-DOTOQJQBSA-N 404.515 1.658 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760936546 ZIILTMHTDMGWBD-LSDHHAIUSA-N 416.448 1.783 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1761779571 ICOOYOWZGJGOHI-OAHLLOKOSA-N 402.524 1.985 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cn1 1764934502 AZBBZRADJOAQKJ-IRXDYDNUSA-N 424.509 1.247 30 10 HDEE COCCOCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1770144964 GWOGSFJURHVGGV-GOSISDBHSA-N 401.467 1.736 30 10 HDEE Cc1c(C(=O)NCCN2CCOCC2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729016 DTGFHVGVQMUEGH-UHFFFAOYSA-N 407.540 1.160 30 10 HDEE CC#CCn1c(NC)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C 1775964627 NKWGWZTXBWAJPE-UHFFFAOYSA-N 403.446 1.262 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OC[C@H]3CCNC(=O)CO3)cc2)c1C(F)(F)F 1851123061 ALAHPTUYCYRCSS-CQSZACIVSA-N 408.336 1.825 30 10 HDEE O=C1c2ccccc2CN1CCC(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851825241 VCCTTZIQZWRJJD-UHFFFAOYSA-N 403.382 1.903 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cn1 1851850781 DYYMTGCOHYMGEC-SNVBAGLBSA-N 421.401 1.034 30 10 HDEE N#C[C@H]1CC(=O)N(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)C1 1853390747 ZOMVVEKYDIUWFM-CYBMUJFWSA-N 418.862 1.829 30 10 HDEE CON(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cc1ccc(C#N)cc1 1854006133 ROFKGMRMLABZBH-UHFFFAOYSA-N 413.455 1.789 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)CC2CCC(=O)CC2)C1=O 1854113315 BXDRGWMTWLNKSC-OALUTQOASA-N 403.523 1.762 30 10 HDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854487316 IDAOUAHCFGGMQO-INIZCTEOSA-N 419.503 1.599 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1S(=O)(=O)C1CC1 1854672582 QNEVKFOQNXCNPE-UHFFFAOYSA-N 409.895 1.961 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@H]1C 1854821956 WHVQHKMBPJHNIN-IEBWSBKVSA-N 419.547 1.784 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@@H](C3CCN(CCCC#N)CC3)CC2=O)CC1 1855061205 SWALNVKDEGLMMO-SFHVURJKSA-N 404.511 1.856 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855320915 KJQDMCMACRUFHG-QGZVFWFLSA-N 419.547 1.990 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855725404 YQTPUURWVNEQCP-HUUCEWRRSA-N 408.499 1.579 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)c3nccc(N4CCOCC4)n3)C2=O)CC1 1856516122 UUDSTSNQDOPERD-SFHVURJKSA-N 413.522 1.877 30 10 HDEE COCCOc1cncc(C(=O)N2CCC[C@H](N3CCC(CC#N)CC3)C2=O)c1 1856543514 VEFGYXTTWOCVGG-IBGZPJMESA-N 400.479 1.864 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)C4CC(=O)C4)C3)CC2)c1 1857003553 ZWUQYAHPQMFETE-QGZVFWFLSA-N 410.474 1.398 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3COCCO3)C2)CC1 1857237229 WZNWZBHTHDJCDA-QFBILLFUSA-N 412.490 1.313 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CSc2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857274020 FYKXZQMRRIJKCQ-FUHWJXTLSA-N 401.532 1.873 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 1858304916 TVGXCPFQXSRFMO-QGZVFWFLSA-N 416.437 1.575 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCn2ccnc2)[nH]c(=NCCCn2ccnc2)[nH]1 1871468159 ZZVDAVJBDLDUMB-UHFFFAOYSA-N 422.541 1.291 30 10 HDEE COCc1nnc(SCC(=O)OC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874502045 NJDSDTBCZFJMPX-REZTVBANSA-N 423.407 1.251 30 10 HDEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 1874564388 CERXYOFXCIATOW-KEGHGJGQSA-N 405.480 1.896 30 10 HDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CC(Oc2cccnc2C#N)C1 1891393692 FRWXBPFVGSRVPW-UHFFFAOYSA-N 421.388 1.550 30 10 HDEE C[C@H](C#CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 1902008715 YOQZVGCJQQAUHM-LLVKDONJSA-N 422.316 1.114 30 10 HDEE COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2162601972 ZEHCTGNJSOZKSH-BFHYXJOUSA-N 401.485 1.103 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)CC2(C#N)CCCCC2)C1 2168120018 QVAYVDZIFQZAGC-GJZGRUSLSA-N 401.529 1.750 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N(CC#N)CCC(F)(F)F 2181053628 NPAQMANJWCHMDO-LLVKDONJSA-N 415.434 1.619 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CC(=O)N[C@H](C(=O)O)C(C)(C)S)OCC12CC2 2195307095 NWGORYDDKHXDFU-DGCLKSJQSA-N 402.513 1.823 30 10 HDEE O=S(=O)(NCC#CCCO)c1cc(Br)sc1Br 2213567627 SEQYGOWZLZTHSO-UHFFFAOYSA-N 403.117 1.937 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC(F)(F)C[C@H]1CC#N 2233994687 MLUAOCBLZKEJLV-VXGBXAGGSA-N 409.455 1.464 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243437090 RPKBRXZSKRXDBH-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C(C)(C)CO 2247857062 QGMGTIGMVOPGPN-UHFFFAOYSA-N 414.315 1.528 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)n1 2247918399 KRIKZSCLCAREKP-UHFFFAOYSA-N 420.319 1.551 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)s2)OC1(C)C 2255752201 GTZQBIAJFXIOHG-GFCCVEGCSA-N 415.342 1.573 30 10 HDEE Cc1nc(C(=O)N2CCC(C3OCCO3)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2267484645 BGLKZBVXWQVIEO-UHFFFAOYSA-N 408.329 1.976 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CSC[C@H]2C(=O)O)OC1(C)C 2269036253 KEQGBINXUUNDGZ-JTQLQIEISA-N 405.328 1.196 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCN[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282319151 PECOHEPZOKXVCS-QWHCGFSZSA-N 400.375 1.775 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)c2)OC1(C)C 2282352520 PGDMTCLWQGAHMY-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE COC[C@@](C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282489765 GCSYZXUJBDCTFX-MRXNPFEDSA-N 405.347 1.377 30 10 HDEE CN(C)[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282614680 TUSMQMIIAHNKMU-RYUDHWBXSA-N 400.737 1.760 30 10 HDEE CSC1(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCC1 2282836362 IVWVCFYPXTTXOC-UHFFFAOYSA-N 401.363 1.283 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2282870059 LZZLADZGVLTQFA-XELLLNAOSA-N 419.399 1.330 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCN[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282872556 YHTUHCRAQNIZEK-LLVKDONJSA-N 400.375 1.647 30 10 HDEE CN(C1(CO)CCC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282872563 YKIIZAUDUYKLHU-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284404301 YASGFUIEXSQYCJ-NSHDSACASA-N 403.331 1.827 30 10 HDEE N#Cc1ccsc1NC(=O)COC(=O)CNS(=O)(=O)C=Cc1ccccc1 2297360910 YHWOABIQPXTABQ-UHFFFAOYSA-N 405.457 1.692 30 10 HDEE C#CCOC1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316806786 GETJTTXPKTXFJE-UHFFFAOYSA-N 404.488 1.507 30 10 HDEE Cc1ccsc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329013167 OHYLCILAXLJFMR-GFCCVEGCSA-N 406.537 1.832 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2333239535 RECKMAHULSZFNQ-GPWIAPAWSA-N 418.486 1.099 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs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c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 8115703 KGSRMKCITNVIIN-GOSISDBHSA-N 403.435 1.841 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 54156135 UJBDBPVGUWBXGC-LURJTMIESA-N 415.107 1.872 30 10 HDEE COC(=O)CSCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 110538466 QPZDIZFVHNWRBO-UHFFFAOYSA-N 401.492 1.671 30 10 HDEE CC(C)CN(C(=O)CO/N=C(/N)CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 141244916 VCBCUDFHDZXTAP-SFHVURJKSA-N 409.552 1.970 30 10 HDEE COc1ccc(S(=O)(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)cc1OC 169905950 FSXMIEKRIOWQJT-RQZCQDPDSA-N 411.392 1.639 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2c(C#N)cnn2C)cc1OC 170496975 ZBRPCYVRNYYYEF-CQSZACIVSA-N 419.463 1.101 30 10 HDEE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccccc2)CC1 254577912 RXXDYTFQYYGJKB-UHFFFAOYSA-N 403.464 1.977 30 10 HDEE N#C[C@@H]1CN(C(=O)Cn2c(O)nc3ccccc3c2=O)CCN1Cc1ccccc1 303524965 FWABOTJOCPSPND-QGZVFWFLSA-N 403.442 1.339 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1CCO 428538842 YHKIZRKJVFISCG-HNNXBMFYSA-N 413.478 1.548 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 434777322 PIYYYCUDIMIGCB-HIFRSBDPSA-N 406.426 1.926 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc3c(n2)CCCC3)CC1 441704093 QDXVUDZLHHDXKY-UHFFFAOYSA-N 410.499 1.979 30 10 HDEE N#CC1CCC(CNS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 443075268 RJDONMZEFZUOMI-NRXISQOPSA-N 405.476 1.732 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CC(n3ccnn3)C2)cnn1-c1cccc(C#N)c1 443691097 GVAZCAWQCRYSIV-UHFFFAOYSA-N 404.434 1.310 30 10 HDEE CNC(=O)Cn1[nH]c(=NC(=O)N=c2ccn(-c3ccc(Cl)cc3C#N)[nH]2)cc1C 446286648 DCUHOOXDIOVILA-UHFFFAOYSA-N 412.841 1.136 30 10 HDEE COc1cc(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)ccc1C#N 460604672 ZHGSMPITNQSIOC-GOSISDBHSA-N 409.364 1.815 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3ccnc(C#N)c3)cc2)CC1 475589662 OHDRLRUEVSRDJM-UHFFFAOYSA-N 421.501 1.469 30 10 HDEE Cn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508572053 BJUXGEAQLMFOAG-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE Cc1cc(N2CCC(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)nc(C)n1 545510152 VBYVMFLASZJVDF-UHFFFAOYSA-N 420.521 1.861 30 10 HDEE COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1cncc(C#N)c1 561411213 IZZWAAWVBJCFGU-UHFFFAOYSA-N 407.404 1.566 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cnccc3C#N)CC2)cc1 563719426 YAYBKWPMTVNSTK-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE COc1cc(F)c(F)cc1NC(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 572707125 AYHGLMAGUUQIEO-GFCCVEGCSA-N 402.357 1.858 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 575413216 UGLKBUMQBFTQMJ-CYBMUJFWSA-N 422.484 1.889 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(CS(N)(=O)=O)c3)cc2C1=O 589136829 DTPOJRULEKZRQE-UHFFFAOYSA-N 413.455 1.187 30 10 HDEE CCc1c(C(=O)N[C@H]2CCc3cc(C#N)ccc32)cnc2c1c(=O)n(C)c(=O)n2C 618730818 HZOBTJTVQOYGBC-KRWDZBQOSA-N 403.442 1.484 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)c1 727417027 CJIQQIGNILBVNF-UHFFFAOYSA-N 403.463 1.501 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)c3ccccc3)cc2C1=O 728085691 IOGFQTXPOBSSDG-UHFFFAOYSA-N 406.394 1.625 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 728874781 UPEVHGWKCFZHLT-UHFFFAOYSA-N 410.496 1.523 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N3CCCC[C@@H]3C(N)=O)cc2)nc1 732399317 LGMXZCZUQQMZBE-QGZVFWFLSA-N 408.414 1.769 30 10 HDEE N#C[C@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCN1C1CC1 732650457 RWXGRDMWUBACSA-INIZCTEOSA-N 405.296 1.768 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccnc3)c2)CCN1C1CC1 732708129 NKXNLPPRKJPLTB-LJQANCHMSA-N 405.458 1.798 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNCc1cc(Br)c2c(c1)OCCO2 733332842 DEAXDAGSHDIGLY-BMRADRMJSA-N 408.252 1.836 30 10 HDEE C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 735072698 DQFKNQWGCIBKLC-CQSZACIVSA-N 423.564 1.857 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sc(C)nc2C)c1=O 736585029 UELFQKMVUXYGJI-UHFFFAOYSA-N 403.529 1.502 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1Br 739726335 AQZLODHGIYMGON-FYWRMAATSA-N 409.196 1.614 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 744772187 ADYAHMAKENKKAP-BHEGOAEISA-N 413.540 1.663 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)c1 747256755 YVXHWJBEXPYMDJ-JLHYYAGUSA-N 412.467 1.795 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 760125615 HYWOVRSGKICGPT-HOTGVXAUSA-N 415.498 1.376 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCn2cnc3sccc3c2=O)CCCCC1 760403016 ZMKWQMICOPHZBB-UHFFFAOYSA-N 408.505 1.768 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)cc1 763232704 QCASUCIWNOWXCZ-UHFFFAOYSA-N 408.439 1.396 30 10 HDEE C[C@H](CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[S@](C)=O 765951184 IAPFWLVJNIHMLD-IOYKTKKVSA-N 414.553 1.778 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)c2nccn2C)C1 770868430 JPEWTGUUZLLVBR-UONOGXRCSA-N 419.463 1.017 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1)c1cc[nH]n1 772232716 ZAKKLSFUFPIQTL-KBPBESRZSA-N 410.496 1.207 30 10 HDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)c2cnc3c(C)cccn3c2=O)cc1OC 773767242 ANMNZBVAZMDCJR-CQSZACIVSA-N 406.398 1.981 30 10 HDEE Cc1nc([C@H]2CCCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 779700603 NATXUHMGWQBFOB-CQSZACIVSA-N 403.464 1.560 30 10 HDEE CCN1CCN(c2ccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)cc2)CC1 783807753 NKCXFAJSXVKSOB-UHFFFAOYSA-N 406.446 1.805 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2c(F)cccc2Cl)n1 788810919 KNMQKISNGRFVMX-UHFFFAOYSA-N 406.845 1.714 30 10 HDEE C[C@H](CC(=O)NCC1(CO)CC2(CCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 790085855 AHNZBEDILYFGDZ-CQSZACIVSA-N 405.520 1.563 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 790105483 LGOZGPSGPOASJO-SFHVURJKSA-N 401.511 1.419 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)cc1C(F)(F)F 793377799 ZRJHCVDNRZGBOF-UHFFFAOYSA-N 413.333 1.877 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(OC)nc1 794449855 KAUCRRBWHPCNCK-UKRRQHHQSA-N 407.540 1.888 30 10 HDEE N#CC1CCC(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 799391904 CNRNJTPFNQDEHV-UHFFFAOYSA-N 415.519 1.793 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803648728 ZKOWTASTOKBBIA-AWEZNQCLSA-N 406.508 1.023 30 10 HDEE C[C@@H](NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N1CCCCC1 803921773 AYTYHFIOEHJASW-CQSZACIVSA-N 401.438 1.789 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 803923785 ZGRDKLNACIJMOX-IBGZPJMESA-N 417.481 1.745 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)n1 816991795 XQMPPJWOJJLZTQ-QZTJIDSGSA-N 408.462 1.703 30 10 HDEE Cc1nccc(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 918036722 FDLGJYZJVPRGET-HAVVHWLPSA-N 402.480 1.920 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C[C@H]1CS(=O)(=O)C2 1134649871 PUFMJRZGPUTUCM-HZUKXOBISA-N 411.277 1.149 30 10 HDEE O=C(CCC(=O)c1ccc(I)cc1)N[C@H]1CCCN(O)C1=O 1141463560 OTIRQIQQJUVLGH-LBPRGKRZSA-N 416.215 1.751 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCCS2(=O)=O)c1 1141803072 DYQCUPVZLUPHLS-XZKWLNOSSA-N 413.521 1.405 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)c1 1147000284 AHPSCQOUXHBSTL-UHFFFAOYSA-N 413.499 1.203 30 10 HDEE Cc1ccc2nc([C@H]3CCCN(C(=O)CCn4cc(C#N)c(O)nc4=O)C3)[nH]c2c1 1151909390 AQCVQXXKDAKMLV-AWEZNQCLSA-N 406.446 1.802 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1153858815 KSSKTDJHDLAKAO-UONOGXRCSA-N 410.515 1.572 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H]2c2nc(=N)n(C)[nH]2)cc1B1OC(C)(C)C(C)(C)O1 1155198626 YPMMXVWHFVKKFK-INIZCTEOSA-N 411.315 1.813 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)ccn(C)c1=O 1156680156 UMMLRJJYXMMKGG-HNNXBMFYSA-N 408.499 1.303 30 10 HDEE Cn1c(S)nnc1CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1159619898 QMBACDGUDZLFKM-LBPRGKRZSA-N 418.910 1.731 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1164661159 WBCZAKCPUJNQAP-QGZVFWFLSA-N 408.520 1.764 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC(n2nncc2I)CC1 1166781026 HVXVMRLPJMRFKF-ZDUSSCGKSA-N 413.263 1.144 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1176441313 OWIOUNYBHSGZOL-UHFFFAOYSA-N 414.466 1.027 30 10 HDEE COc1ccccc1N1CCCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1176891351 DIKBEGVTGOIAKR-OAQYLSRUSA-N 413.566 1.900 30 10 HDEE C#Cc1ccc(CNC(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)cc1 1222121004 WYDHXZIRPKBEPE-UHFFFAOYSA-N 401.488 1.592 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1286386659 FMGHNSFFBSHQQP-MRXNPFEDSA-N 403.508 1.129 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@]1(N2CCOCC2)CCSC1 1286416269 LGDLVWFFBHYGTM-HXUWFJFHSA-N 403.552 1.095 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CCCC1 1286433023 HPWKKXGPRIDJCD-QGZVFWFLSA-N 404.536 1.950 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286465424 MYGXVAZTSFXYAI-XQBPLPMBSA-N 418.538 1.986 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1286488760 STCLRUBOONDDIE-UHFFFAOYSA-N 418.542 1.809 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286782479 WEQOGBYIEYPBAV-AEFFLSMTSA-N 419.489 1.081 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@](C)(CC)C1 1286784546 LIDWHKYUMYRCJM-OAQYLSRUSA-N 413.478 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286819480 MABCNUVLZUGKGF-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC=CCC1 1286821890 DGLALYPVORTBLI-UHFFFAOYSA-N 412.519 1.884 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C1 1286855686 AMFVCCYBSDDUQD-NVXWUHKLSA-N 401.515 1.511 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 1290673775 JSROQGAXXJGKIQ-IRXDYDNUSA-N 408.543 1.352 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1291775844 MQWBTMUZITVNEP-HOTGVXAUSA-N 415.556 1.614 30 10 HDEE C=CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1298471737 QOHKVHZPDPLHAE-OAGGEKHMSA-N 411.524 1.585 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)c1 1300193583 AQUHEWSDQPQPKB-AWEZNQCLSA-N 401.444 1.315 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1CCN(C(C)=O)CC1 1300587853 ZZIVVSJWGNTCPV-UHFFFAOYSA-N 404.518 1.985 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1300666365 XVLDFVWKYNMPIZ-HNNXBMFYSA-N 420.514 1.230 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1OCCC1(C)C 1300675594 DDJMPNFLHOGXOA-KSZLIROESA-N 406.527 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300699441 CSIGJMOPOCIOLS-LJQANCHMSA-N 411.554 1.746 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1301017061 GJVFPOFHVGKAKR-ZJUUUORDSA-N 417.841 1.408 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)cc1 1301311212 KLCKDHMDWLLASN-MRXNPFEDSA-N 406.508 1.171 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H]1c1nncn1C 1301508736 SHRCTSWUHOGQTJ-HNNXBMFYSA-N 412.523 1.703 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)c1cncn1C 1301546946 MGFCUHYIDSTGNQ-ZDUSSCGKSA-N 423.267 1.682 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1301822998 RCFBOMHGZZVEBO-LSDHHAIUSA-N 414.911 1.565 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1301951492 AEJNGRCLTKAXIN-GUXCAODWSA-N 404.515 1.740 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301958283 AFEYORQQSUZWNY-HOTGVXAUSA-N 402.524 1.822 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 1302923613 AOECSQKKEGAXTN-UHFFFAOYSA-N 422.507 1.098 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(CC)s2)CC1 1302924904 VSDAWSNLGBUXNC-UHFFFAOYSA-N 420.354 1.298 30 10 HDEE C=CCn1cc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)nn1 1303560366 KUFXGXSMOWAUHU-LQZXRHCMSA-N 404.467 1.447 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1306244632 CFPDIKURMQWZSW-HOTGVXAUSA-N 416.432 1.956 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCc3nnc(-c4ccccc4)n3C2)c1C#N 1306285764 IBTJBLGBBZTSBY-OAHLLOKOSA-N 404.478 1.893 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3ccncc3C#N)CC2)CC1 1307947203 SFKAPVZHPRBMFW-UHFFFAOYSA-N 414.510 1.744 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1309853617 XMQKHXJKUMGSIZ-QRQLOZEOSA-N 406.504 1.697 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNc2ccccn2)CC1=O 1314926072 KBDYJQWADQZVRC-UHFFFAOYSA-N 416.489 1.992 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1316484242 DLEFNEJAZHNYBC-INYHQCFRSA-N 411.466 1.007 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCC2)CCO1 1316535004 AXASHQCBODTTDE-GOSISDBHSA-N 415.542 1.509 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1322083508 VJUQPVAYQSUFHB-OAHLLOKOSA-N 416.540 1.604 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1336434357 RRERIZPYKOZPDE-MRXNPFEDSA-N 408.462 1.634 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(C(=O)OC)n2C)c1 1357767548 XTKGBQCSUCLVCU-UHFFFAOYSA-N 409.442 1.299 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1358932311 GUZMNIBDJHDFIU-GOSISDBHSA-N 421.567 1.275 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NCCC 1358946545 ZIBQOZXHMZXFAS-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358956799 KQVVLOADLWYJMU-RHSMWYFYSA-N 404.540 1.509 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1359000009 JNDCGHAHMYGHBF-IRXDYDNUSA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1359000101 LQUUNDYPYZHMRY-CVEARBPZSA-N 405.524 1.815 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCOC1 1359019351 SANNIUGJOXFTNQ-KKSFZXQISA-N 418.469 1.795 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1359024988 ZTTBEOIUWIWDNX-MSOLQXFVSA-N 404.511 1.801 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cccn2)CC1 1359047359 DBTOYSSYFDZRHV-GOSISDBHSA-N 411.510 1.382 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1359111944 SXSGXSBQSMHRNO-MSOLQXFVSA-N 403.575 1.658 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359151549 WTNWVBXZUMVDNV-IAGOWNOFSA-N 424.977 1.961 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359226326 CHNJTZWCQBYAON-SFHVURJKSA-N 416.526 1.993 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1359281376 XIUQLDXQDWZMQN-INIZCTEOSA-N 416.457 1.646 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359298821 MSUCDIOHXUEYOZ-UHFFFAOYSA-N 405.506 1.652 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1359304798 JTBGENSCTQZDSH-HXUWFJFHSA-N 414.441 1.610 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1359587688 ZAWLBSUMRQDOPM-HNNXBMFYSA-N 423.564 1.872 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)COCCO1 1360835577 TWNXKXRXEVJFJR-UTKZUKDTSA-N 410.478 1.324 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1 1434952555 DIKNMRAONKWGNH-LLVKDONJSA-N 402.501 1.653 30 10 HDEE COC(=O)CCCCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1440400484 YHLZYGZSIYNPJM-INIZCTEOSA-N 423.535 1.989 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)n1 1448860546 QZDOALSLEASWCK-NRFANRHFSA-N 420.510 1.253 30 10 HDEE C[C@]1(C(F)(F)F)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1454975538 NVRAVQGQXNPRRJ-OAHLLOKOSA-N 405.398 1.295 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1456024969 MPFKNDBGBFVNHX-HNNXBMFYSA-N 415.515 1.968 30 10 HDEE COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1457772615 GNDNQNCJGPGOSB-HUUCEWRRSA-N 407.471 1.518 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CC(=O)NCc2cccc(C#N)c2)CCO1 1460538606 APYMYUKIZMUKIH-NRFANRHFSA-N 403.479 1.234 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1461420773 DUBSNJHEZJKXLT-YIYPIFLZSA-N 420.428 1.957 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1463511365 LMFBXFARNWCQCC-WFEDQXDTSA-N 424.457 1.706 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1463964563 YGKYGHVOZDEUNH-LLVKDONJSA-N 406.323 1.887 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)OCC 1464376871 BZJYCOGPLHYYGC-ZDUSSCGKSA-N 404.510 1.161 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2c3ccccc3C(=O)OC23CCC3)CC1 1464842377 BRUOFJRQBQZNNM-HXUWFJFHSA-N 409.486 1.147 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C#N)C2CCCCC2)cc1 1465505472 YMCLAPHSBGOSKY-GOSISDBHSA-N 406.508 1.902 30 10 HDEE C=CCC[C@@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1468127613 GWUKSBSQCVVFPV-QGZVFWFLSA-N 424.457 1.844 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1470006959 DVTMEEPTCJLDTO-WMLDXEAASA-N 405.499 1.970 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OC 1475687982 IBQLSKIOIDLGGQ-ZDUSSCGKSA-N 419.297 1.724 30 10 HDEE C#C[C@H](NC(=O)NCc1cn(CC)c(=O)nc1O)c1ccc(Br)cc1 1478896146 KKELYPYPEXKQOD-AWEZNQCLSA-N 405.252 1.905 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCCCCO)cc1 1505319592 BUJWIIIAHXRNBL-UHFFFAOYSA-N 403.508 1.460 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1507540777 CZQXHVHMTCWGDD-ZDUSSCGKSA-N 423.502 1.270 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507593387 ZTLHPDCVNLIUQE-ROUUACIJSA-N 414.554 1.375 30 10 HDEE C#CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1507598142 BZKKLPYGYUMVEQ-PMACEKPBSA-N 422.551 1.359 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCOCC2)nc1 1507646989 WPQJZRUJXFCBFK-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1507658961 SLWFZSNQPIMMIS-UHFFFAOYSA-N 419.551 1.190 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)N(C)C)CC1 1507718576 QPEUSMYSVVPCIM-CQSZACIVSA-N 420.359 1.741 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CCOC)CC1 1507757218 VMPGDZWQQVOYRY-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@H]1C 1507787135 CHFZCJLXCCJDNX-CYBMUJFWSA-N 405.300 1.839 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507846772 XBRDODJQYDSMLT-QZTJIDSGSA-N 415.494 1.217 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1507941378 FJGIMZPVFSEGKK-HNNXBMFYSA-N 403.508 1.626 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1507994025 RBOXXMOYZJDXAK-QGZVFWFLSA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1508079250 PVMLSTNOAYOFHQ-MRXNPFEDSA-N 403.446 1.524 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508091261 TUKPLLNWEWCFGR-QGZVFWFLSA-N 423.477 1.357 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1508120857 BASHIAQRRDZGOO-DLBZAZTESA-N 419.526 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC[C@H]21 1508147689 LKNDDIKARWCOJI-NXOAAHMSSA-N 410.540 1.592 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1508160239 DCAXIYZFLZKRCL-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1508166735 DDYQOKAFGQGBJE-UHFFFAOYSA-N 419.555 1.947 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)n1 1511136415 AAOYGOBOTHVWNU-MRXNPFEDSA-N 418.523 1.592 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOCCOC 1513969835 CCKFWCHFOCJZIW-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CC[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516918643 JJAUDCJDLXLBFB-BCOMRZATSA-N 416.507 1.433 30 10 HDEE COc1ccnc(OC)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1533647736 AREKHCANEAAZCN-AWEZNQCLSA-N 409.402 1.814 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 1535780881 JXPUDSBXJDKOCY-UHFFFAOYSA-N 402.476 1.642 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1538949201 YGQZJQOPDINAFX-QGZVFWFLSA-N 410.559 1.905 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1539087713 YFXKVVJRYLCRRY-XLIONFOSSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539218857 ABRBVPUJWRCHKD-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)CC(F)(F)F 1539317757 HQVQAKRNVQNGJI-HNNXBMFYSA-N 410.444 1.576 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(F)c2)CC1 1539427661 GLZBBMUHXHLDKS-UHFFFAOYSA-N 414.485 1.368 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1539446783 IPEJYMOEAFONIQ-UXHICEINSA-N 400.571 1.802 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1539728751 DHAFXTQQCMUICP-HUUCEWRRSA-N 415.560 1.485 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1540900889 LTORLTMJIDPGPK-NVXWUHKLSA-N 405.524 1.879 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1540923641 JOAOSHZYDLQIMF-IRXDYDNUSA-N 423.583 1.884 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1541810443 RKJYWNGRWPWSTM-CYBMUJFWSA-N 422.445 1.929 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1546731637 DXSOKBLQYTWOEQ-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1554441957 LJKSTBOFXRWRCV-IBGZPJMESA-N 421.505 1.030 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(OCCO)CCOCC1 1556317337 XEBUXRARTUMVJJ-AWEZNQCLSA-N 406.907 1.697 30 10 HDEE C#C[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1556782085 WEVVQKUGYHZBRL-INIZCTEOSA-N 423.288 1.966 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)cc1 1557332326 PVNGXJYMAWIACG-OAQYLSRUSA-N 400.500 1.757 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3cncc(C#N)c3)c2)C[C@@H](C)O1 1558449489 GSDLXVNAZBCLLL-HUUCEWRRSA-N 414.487 1.681 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C#N)cs1 1558599210 KHHHXFOCOKDWON-AWEZNQCLSA-N 417.516 1.928 30 10 HDEE CN1C(=O)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H]1c1ccccc1 1567771156 BTWGCDQEAYIVOT-GOSISDBHSA-N 401.419 1.736 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)s1 1568013460 HYHQKIQDUKUFCH-SFHVURJKSA-N 414.549 1.551 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCC(=O)N(c4cnn(C)c4)C3)CC2)c1C#N 1584066830 HIFKOWFHQDJILS-CQSZACIVSA-N 413.507 1.149 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc([N+](=O)[O-])c1 1587275647 SMAVKHMYQSJBFW-UHFFFAOYSA-N 420.472 1.894 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nccs2)CC1 1588732549 CLIFLWDITLKVSB-UHFFFAOYSA-N 408.491 1.185 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCCCC2)CC1 1588849069 XQJJCLFAMTXUEK-UHFFFAOYSA-N 407.566 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)coc2C)CC1 1588924113 VLFMCLQXSWRDPM-GOSISDBHSA-N 424.505 1.453 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1589060717 XHHIZNFTFZYLHK-CVEARBPZSA-N 413.551 1.713 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(OC)c2)CC1 1594091334 YLHKWHNHSPSCQW-GOSISDBHSA-N 424.505 1.824 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N2CCOCC2)C1 1595707080 SICUMQQHXHBRMI-KRWDZBQOSA-N 414.510 1.314 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1595798573 QRUIWSVWZBUZBT-BRWVUGGUSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1595805254 MMQAELJMCUSXAH-HXUWFJFHSA-N 404.536 1.848 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1607278310 JJYFBVUTRLNWFY-HZPDHXFCSA-N 413.430 1.471 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC3(C)COC3)nnc12 1611598044 AXRPJGPZKIXEKT-UHFFFAOYSA-N 413.503 1.817 30 10 HDEE CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1Cc1ccc(C#N)o1 1613342744 PVFXNOHAFMPECJ-BBRMVZONSA-N 411.466 1.777 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(C(N)=O)CCOCC1 1614053527 FIRGXGNZFRQRQC-MSOLQXFVSA-N 408.506 1.866 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1614978968 CGWNULIJUNPSNT-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1620110845 CPVYNYGVALKDTA-BQFCYCMXSA-N 415.498 1.130 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1623669551 RXYXURCBNKBOEA-UHFFFAOYSA-N 414.510 1.155 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2cc[nH]n2)C1 1623837527 ZTEQNCFADNAXAV-UHFFFAOYSA-N 417.267 1.026 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(C)c(C(N)=O)cn2)n1 1626530202 ONXGIRRKBYQKOC-UHFFFAOYSA-N 415.504 1.855 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2cccc(COc3ccccc3C#N)c2)c1=O 1626755412 YWQCVODNCQHVFA-UHFFFAOYSA-N 418.453 1.818 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 1628386562 WICVPCITPXSZRK-VZCXRCSSSA-N 409.421 1.756 30 10 HDEE CNC(=O)c1ccc(CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1628967674 JCTQZSNWPQDTRV-UHFFFAOYSA-N 403.435 1.755 30 10 HDEE C=CC1(CC(=O)NCCCCn2cc(C(N)=O)nn2)CN(C(=O)OC(C)(C)C)C1 1629770543 TUGDWUCPKXUFRD-UHFFFAOYSA-N 406.487 1.087 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1630766201 OOSUWIRDKAVQCN-SFHVURJKSA-N 412.490 1.761 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)C2)ccn1 1643647966 NYXWSKDDUQIAMC-FUHWJXTLSA-N 402.495 1.356 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nc2c(s1)CCC2 1645010893 AQPWRDMRVYYNRB-UHFFFAOYSA-N 418.544 1.809 30 10 HDEE C[C@]12CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@]1(C)C(=O)NC2=O 1647992901 CDJDASZLPQVZJF-WOJBJXKFSA-N 400.504 1.812 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2-c2cccc(Cl)c2)C1=O 1654083503 XVXYIROWNQRUJX-UHFFFAOYSA-N 401.810 1.954 30 10 HDEE C=CC(C)(C)CCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1659967796 PNCMORPHCSGMDX-UHFFFAOYSA-N 401.467 1.903 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)C#N)CC2)cc1 1661012422 GSYJEIVDUYJLEQ-UHFFFAOYSA-N 413.565 1.996 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OCC 1665221425 FHMPVLXNOTXPJS-ZDUSSCGKSA-N 404.510 1.113 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N=S1(=O)CCCC1 1671510050 GDJUINBUZUMBJJ-UHFFFAOYSA-N 419.569 1.828 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1677045092 BDMSOURWMYUZOG-UHFFFAOYSA-N 416.501 1.082 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1682897221 PILGBEHTRZHUMS-INIZCTEOSA-N 407.515 1.398 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1683927874 QOGLXGDFDCTWLZ-UHFFFAOYSA-N 412.468 1.203 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CN(C)C[C@H]3c3ccccc3)CC2)c1C#N 1684484720 HAUHRGCKQQYVHU-CTNGQTDRSA-N 421.549 1.777 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1)[C@H]1CCS(=O)(=O)C1 1684576103 OUEVVVMXIODFPV-DGSCNEQVSA-N 414.549 1.036 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)CC2)CC1 1685427585 CSGMBVQUULTJJD-PMACEKPBSA-N 418.563 1.898 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689989703 HZNWQYDIWPKRBT-MRXNPFEDSA-N 407.540 1.041 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1N(C)CCCC1(C)C 1690106039 ICRIKKSCAFRZEM-GOSISDBHSA-N 416.570 1.607 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCC(=O)N(C)C)CC1 1690132025 DMDDUONHIHIMDG-UHFFFAOYSA-N 424.549 1.789 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1690312843 DPNXHTOIFHWCHB-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)C2CCC2)CC1 1690363806 BULJINGYOUTZFD-HNNXBMFYSA-N 424.571 1.351 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1690503624 IPDVDBQXDKLVRN-HNNXBMFYSA-N 400.458 1.891 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690649830 XZEVMPWGXGQGLA-FQEVSTJZSA-N 416.551 1.757 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690666847 ILWFWYXDMQLGGG-ZDUSSCGKSA-N 416.869 1.542 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1690678868 CTKVLSOVTGXKLR-INIZCTEOSA-N 421.505 1.959 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1693559148 OXSWDBUIJYATLR-QFBILLFUSA-N 411.485 1.246 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COc2ccccc21 1698172409 WRWGCBLWEWSNMP-IKGGRYGDSA-N 413.478 1.907 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1705556058 JQCFKYMGDBYCBJ-UHFFFAOYSA-N 403.508 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCc1cccc(C(=O)NC)c1 1705598091 AYJIANFMZXNCQZ-HXUWFJFHSA-N 405.502 1.847 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1705604470 MUSZVGJWRPNSOB-CYBMUJFWSA-N 422.486 1.126 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1705610106 CFMREPDTUOILMV-UHFFFAOYSA-N 403.288 1.797 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1705639022 DJDLUGRQEXNQRZ-SFHVURJKSA-N 411.506 1.690 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1705640503 UPZXOPRLCWKGMY-HXUWFJFHSA-N 402.587 1.733 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705662113 QMLQYOCMVKUGKQ-MOPGFXCFSA-N 419.595 1.697 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1705725743 OUVSRSZLCZBNBT-INIZCTEOSA-N 409.556 1.057 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1705805965 TXCAVEHFFFOCHH-MRXNPFEDSA-N 410.540 1.926 30 10 HDEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705806442 DWXNONCDFMYUFI-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1705829289 MHSVDBFSPPKFCX-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cccs1 1705902396 DDNAPSGAWKGWEJ-AWEZNQCLSA-N 423.564 1.570 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)C[C@@H]1COc2ccccc2O1 1705908556 SDFXCLNYHDVPEM-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC)CCN2C1=O 1710173931 SSSYHUKVRCYNDG-KRWDZBQOSA-N 423.477 1.326 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1712285300 NWMPYOSKZWHUSI-BMGDILEWSA-N 410.478 1.335 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC(=O)NCC2CC2)cc1 1712879543 DWUZCNWUEFFVCI-QGZVFWFLSA-N 421.505 1.435 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCOCC1CCOCC1 1722352948 LZTYENGANZWJBB-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1722411158 ZPHILDXFEUGBSL-CABCVRRESA-N 410.469 1.045 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCN2CC)CC1 1722440061 ZRAIZZRXKYABSE-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCOCC2)CC1 1722441857 VUDREYXFSCWTNP-KRWDZBQOSA-N 416.570 1.262 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1722459247 GSXQLHPVUOODBS-HOTGVXAUSA-N 411.597 1.077 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F 1722466128 JLGXPMJXURMKBI-LJQANCHMSA-N 417.420 1.299 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722537191 MCOLSJZVKFTIQT-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722627962 VANXTDAJAVYZDO-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1740647019 ICKKKMSDKSQXCP-UHFFFAOYSA-N 424.324 1.543 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1740663291 FOFCSUPQRURHAL-HSZRJFAPSA-N 423.517 1.724 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1740666462 QPSPFBFORDGFKG-UHFFFAOYSA-N 419.507 1.461 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(C)c2C)CC1 1740689424 WDPVUAYPIMEPNP-UHFFFAOYSA-N 412.542 1.042 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(F)cn2)CC1 1740704928 WSDNUTRYZJHVIY-UHFFFAOYSA-N 407.453 1.821 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCC=C)CC1 1740705640 JYZVPJRZJXZVKG-GOSISDBHSA-N 401.511 1.341 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)C1 1740761769 AFXKODMTQPJNNJ-KXBFYZLASA-N 416.551 1.893 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740881242 BVWOPTZRYKDFHL-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccccc2OC)CC1 1740948487 IMRWKEQBHGNZJL-UHFFFAOYSA-N 410.522 1.917 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1741804664 HFMPIKLUUYJGGD-AOMKIAJQSA-N 408.506 1.973 30 10 HDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1748493380 HEUXYWAWBFRNLT-QAPCUYQASA-N 424.571 1.978 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1748665309 PCWRXJHGMZXAMO-CQSZACIVSA-N 403.446 1.995 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1CCS(=O)(=O)C1 1748798699 GHWVDKWVCAVSBY-KRWDZBQOSA-N 402.520 1.978 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1749065691 ANTFCZWRTSYSEJ-BXTJHSDWSA-N 419.551 1.087 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnnn1C 1749575265 OUBNXZIZMRNNBO-UHFFFAOYSA-N 420.525 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749664514 PUROFELBRZLLKF-HSZRJFAPSA-N 424.549 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749730881 UIFYOHCXHIIMIJ-PBHICJAKSA-N 405.524 1.456 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCSC[C@H]1C 1749735292 RCQVZFUWWBXRAV-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1751124114 AQCFTEIAVVMHLF-KRWDZBQOSA-N 417.521 1.883 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760144581 UVAHACMQXPGKGZ-SFHVURJKSA-N 416.570 1.768 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1760160466 FCAZZHTWQBNRDV-UHFFFAOYSA-N 420.477 1.428 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1760171202 HRCOVZQCPPUKQV-HNNXBMFYSA-N 405.462 1.578 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760181749 BBLPWERLSJTMFN-KURKYZTESA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760189674 KTEXFDCPCRUIKP-MRXNPFEDSA-N 423.564 1.297 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1CCc2ccccc21 1760207045 VRTMAGPNMNMDFJ-UHFFFAOYSA-N 416.529 1.926 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N(C)C)CC1 1760271764 LFOWBIMIDISLJD-KRWDZBQOSA-N 409.538 1.180 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760518462 AHLBIKGDEWPSCO-MSOLQXFVSA-N 408.506 1.525 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760524385 WOMSGABDPJUPQD-QGZVFWFLSA-N 416.526 1.317 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760564149 QOUGUMCIABQPOM-INIZCTEOSA-N 403.556 1.811 30 10 HDEE COCc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1769341748 HRPZBHCERPERFE-WBVHZDCISA-N 401.442 1.845 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(C)=O 1770446943 UJEJKDABQMTEIX-FQEVSTJZSA-N 400.458 1.846 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)cc1 1770733333 YIFVQUNZBQHCJA-MOPGFXCFSA-N 424.505 1.714 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1852018950 JGOOWKKXWKOBSS-AWEZNQCLSA-N 423.326 1.878 30 10 HDEE NC(=NOCCc1nc([C@@H]2CC(=O)N(CCc3ccccc3)C2)no1)c1ccncc1 1853559539 SCSLKZRSIYFKED-GOSISDBHSA-N 420.473 1.903 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(C)n(C(C)C)n2)C1=O 1853789797 OIOOAFOBTQLOTG-ROUUACIJSA-N 401.511 1.622 30 10 HDEE CC(C)(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O)C(F)(F)F 1853955082 OKGNAZFRHWMMGG-UHFFFAOYSA-N 417.409 1.896 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854011678 GQDUHKAGSJBXPP-RBUKOAKNSA-N 417.531 1.375 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1C#N 1855320583 IEDDXTOGHDEVLO-NHCUHLMSSA-N 410.518 1.795 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1F 1855594294 UQZKIZHLWACYDR-AWEZNQCLSA-N 423.466 1.524 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CC(=O)N3CCOCC3)C3(CCCC3)C2=O)c1 1856220235 IGXLMPSYYJQSKF-UHFFFAOYSA-N 410.474 1.014 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CC3CC(F)(F)C3)C2=O)CC1 1857067557 HCDVZOOTQKZEAO-MRXNPFEDSA-N 403.433 1.638 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@@H]1CCN(C)C1=O 1857284373 NPGSJKMOTHJKLW-NVXWUHKLSA-N 400.479 1.188 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857306180 NWHQRSSOFKAAAQ-LJQANCHMSA-N 417.531 1.774 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1857435986 RICOCDFUAMWWBL-ROUUACIJSA-N 421.494 1.809 30 10 HDEE C=C(C)CN1c2ccccc2N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@H]1C 1857474584 JSILJRPRRZVDFD-RDTXWAMCSA-N 419.503 1.324 30 10 HDEE COc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1858021047 GLHNSGBQJHTYBO-IBGZPJMESA-N 415.471 1.711 30 10 HDEE N#Cc1cccc(NC(=O)[C@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1858376148 XJYHKYSDKLVNOH-HNNXBMFYSA-N 402.410 1.641 30 10 HDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)N=c2nc[nH][nH]2)sc2c1CCC2 1858838084 KZEGRWFVNCKFSO-UHFFFAOYSA-N 424.446 1.705 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)CCc1nc(O)c2ccccc2n1 1867263912 QAMXLRXDCDJWSQ-KRWDZBQOSA-N 405.414 1.255 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871007851 VOLNNZHAHUWXSV-UHFFFAOYSA-N 423.561 1.786 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 1985105133 OQMHLQQSBZNFCR-UHFFFAOYSA-N 409.336 1.746 30 10 HDEE C=CC1(NC(=O)C2=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993332859 YLINHQBCJHDMJF-HUUCEWRRSA-N 423.510 1.862 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2118170476 QZLQGXRGRKJWHA-UONOGXRCSA-N 404.558 1.409 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 2142097234 KTTDAHVMXFAFCL-BFHYXJOUSA-N 404.554 1.280 30 10 HDEE C[C@@H](NS(=O)(=O)CC1CC(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186627047 GCSJNJBTYAGXBG-SNVBAGLBSA-N 400.331 1.402 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827095 FNKVFDUIKFJXON-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247910974 RCHMSBOGZQLVNW-KBPBESRZSA-N 422.287 1.601 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2248057362 VMNJXACJBOCCFR-UHFFFAOYSA-N 418.303 1.563 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(=O)O)Cc1ccccc1 2248589669 SSJUJZXDNSTJMZ-UHFFFAOYSA-N 414.271 1.231 30 10 HDEE N#C[C@H]1CCCC[C@@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258169395 ICXSMBZMNIISGM-PMPSAXMXSA-N 409.464 1.368 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258171355 CVPDCTWFACMLNB-DLBZAZTESA-N 410.492 1.422 30 10 HDEE CC1(C)[C@H](O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703427 WCVUSFGAWVBYJO-SNVBAGLBSA-N 407.750 1.845 30 10 HDEE CN(C)C[C@@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332211 XRLXGQLBGBWFEC-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)CNCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282490762 KRPCETMZSPVYEV-CQSZACIVSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC(N)(CO)CC3)sc2Cl)OC1(C)C 2282621668 VQIMQSHHEYMSBB-UHFFFAOYSA-N 400.737 1.627 30 10 HDEE Cc1nnc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)s1 2282841699 XDUZLBALNGQCBW-UHFFFAOYSA-N 416.359 1.222 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282846158 FQKQXGGNDKLEMD-RUZDIDTESA-N 401.359 1.174 30 10 HDEE CCCN(CC(=O)NC)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857278 GCACJOCFPLPVPC-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(C4OCCO4)CC3)cc2)OC1(C)C 2282863092 MZGVOQFSVQHPMZ-UHFFFAOYSA-N 423.340 1.759 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](CO)C(F)(F)F)s2)OC1(C)C 2282868295 LKFCTLKEOJLZLR-SECBINFHSA-N 415.264 1.496 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@](C)(O)CC(=O)O)sc2Cl)OC1(C)C 2284417488 LYYPAFBRTDAFCV-MRXNPFEDSA-N 403.693 1.656 30 10 HDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc[nH]1 2329012007 MWSUFUKGRMOBAC-CQSZACIVSA-N 417.539 1.831 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccncc1 2330770380 CJQKIADDKSEPEO-UHFFFAOYSA-N 415.523 1.732 30 10 HDEE COCCc1nnc(SCCCO)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331305107 PJBHBVFKWGPSRP-UHFFFAOYSA-N 423.451 1.503 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 2362336763 HEDMZHGAPBHGGG-CQSZACIVSA-N 405.304 1.335 30 10 HDEE CCc1csc(C#CC(=O)[C@@H](O)c2cn(C)nc2I)n1 2363936078 RLQZMVMVMQRFFJ-LBPRGKRZSA-N 401.229 1.698 30 10 HDEE C#CCCN1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364055678 JBESVDNLHVQZED-UHFFFAOYSA-N 404.106 1.726 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)C1 2365244627 USDZQGDDRSOAGU-AWEZNQCLSA-N 403.497 1.540 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2367793170 ULWQTZWNBCASFL-CRAIPNDOSA-N 400.541 1.571 30 10 HDEE CC[C@@](COC)(NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367805193 ZGGLSHULTWVZON-KXBFYZLASA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367815456 GTVKIVVPQBQHBD-YJBOKZPZSA-N 400.541 1.163 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825725 RPCWOIQUSPPDEK-KUHUBIRLSA-N 400.541 1.292 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CCCNC(=O)OC(C)(C)C 2367832119 XJSKDIVNPFQGBX-QAPCUYQASA-N 402.557 1.601 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C#N)n2N)cn1 20921692 VRQXNTJITHVQAS-ODCIPOBUSA-N 424.494 1.818 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 57194451 ACGSPOUTNVLQPT-QGZVFWFLSA-N 404.898 1.139 30 10 HDEE O=C(C[C@@H]1S/C(=N\c2ncccn2)NC1=O)Nc1ccc(N2CCOCC2)cc1 72435399 RQYCEYVFNUFNBL-HNNXBMFYSA-N 412.475 1.561 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCc3cn4ccccc4n3)o2)c1=O 101351071 JDJYVEJVCXPBOQ-UHFFFAOYSA-N 410.459 1.945 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(O)=C/C(=O)c2ccc(F)cc2)cc1 101355129 YKGHKFPLOGTCEH-YVLHZVERSA-N 406.391 1.914 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 219983798 FTZAEOHTWFBLHY-ZDUSSCGKSA-N 402.432 1.352 30 10 HDEE CCNC(=O)CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253574111 SERJECPICJNTSG-LZYBPNLTSA-N 408.400 1.685 30 10 HDEE CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432875904 YNWKCVBJOPFMAJ-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE N#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 464801702 IAQPZKJDXXQXQV-LJQANCHMSA-N 411.483 1.798 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 473306153 UMLUDYJRBSBZPK-KGLIPLIRSA-N 403.508 1.939 30 10 HDEE C=C(C)[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)c(F)c1 477755957 RGOJMULSOHNPQA-HXUWFJFHSA-N 422.476 1.768 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(F)c1 481067834 DTNSOLFSWCSUPY-KRWDZBQOSA-N 409.483 1.631 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485993036 JBSCUWDYHKAMDX-AWEZNQCLSA-N 418.500 1.107 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)cc1 501088288 GRDQBWJQKHEFJO-LJQANCHMSA-N 420.579 1.393 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CC1 503643832 NSXJLLNJLPZDME-UHFFFAOYSA-N 418.500 1.747 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)cc1 506050964 GUOIGYKUEAOQPE-UHFFFAOYSA-N 420.535 1.154 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 511375115 BLWFFZGKIRIZES-FQEVSTJZSA-N 420.469 1.409 30 10 HDEE CCc1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 517988705 MFQICYNGBWUCFK-AWEZNQCLSA-N 417.556 1.836 30 10 HDEE Cc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 526887824 ZYHUQHAYEMLUJB-SANMLTNESA-N 409.518 1.594 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccccc2Cn2cccn2)CC1 533215100 SXYWVUUJULFKHD-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC(C)C 540695785 FLBBZIHQXOYNKA-UHFFFAOYSA-N 414.531 1.307 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCCC1 545354096 UJGFIFJFTWFMPJ-UHFFFAOYSA-N 411.958 1.683 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546169939 UWOJVAZJVBQURI-IBGZPJMESA-N 402.462 1.381 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)CC2)n1 553968753 FVNHSGYHXBXUOO-HNNXBMFYSA-N 412.416 1.048 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(C#N)cc2)cc1OC 573293657 ZDEYKUKSSBQCJS-UHFFFAOYSA-N 419.459 1.049 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)nc1 585354430 UBBGKLSTSACHEM-MUYFXNHWSA-N 412.490 1.787 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 603798176 JJCLKBYEDIWDBA-KRWDZBQOSA-N 409.511 1.179 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 604023528 YZYXQWRESRSTLZ-UHFFFAOYSA-N 413.908 1.739 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 680513705 CANCWPNUESUWTD-OAHLLOKOSA-N 402.538 1.385 30 10 HDEE CN(Cc1ccc(C#CCN)cc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703977222 ACABBGYMIJIRKK-UHFFFAOYSA-N 411.483 1.055 30 10 HDEE CCOC(=O)C1=C(C(=O)c2cccnc2)[C@@H](c2cnn3ccccc23)NC(=S)N1 729662443 KXPUJOGTWYXBQZ-MRXNPFEDSA-N 407.455 1.948 30 10 HDEE C#CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 731212614 GUPMSKHHDPOTRF-SFHVURJKSA-N 403.504 1.264 30 10 HDEE COc1ccc(OC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732465631 HGTZQZFCPBJZIV-VXPUYCOJSA-N 414.462 1.774 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CCN1C1CC1 732652110 NHYJOQKKSQWWEQ-UYAOXDASSA-N 410.518 1.893 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291364 HYJHLYJMCGJERK-OALUTQOASA-N 408.458 1.701 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C[C@H]1CCCO1 758553670 KSNZXEYTDRURBQ-QGZVFWFLSA-N 407.499 1.111 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 762510533 MFWRTQCUYIRQMD-HLGQQVFSSA-N 401.536 1.015 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 763711328 HKGWDBXLEOAGGZ-UHFFFAOYSA-N 414.422 1.781 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)cn1 764434768 YGIDCBMTDGDDNC-HZPDHXFCSA-N 406.427 1.782 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1cc(F)cc(F)c1 767681467 RIBFCWKWKVVESW-LLVKDONJSA-N 423.397 1.685 30 10 HDEE C#CCN(C(=O)NCCNc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 774166320 GBFXMBQZAMYDTD-GFCCVEGCSA-N 405.307 1.632 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 774265260 XWXQQXQPJKTPBD-GDBMZVCRSA-N 407.467 1.153 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@]3(C2)OCc2ccccc23)c1=O 774699668 AJYDQBODDLWCMY-QFIPXVFZSA-N 410.474 1.023 30 10 HDEE COC(=O)[C@]1(NC(=O)[C@H](O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 780969041 JZBOFRRUQAXNKX-OFNKIYASSA-N 407.470 1.916 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2c(=O)c3ccccc3n3nc(C)cc23)n1 788366831 OSJHQWHVTSJWGD-UHFFFAOYSA-N 404.474 1.893 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2nnc(-c3ccccc3)o2)n1 789123919 NAHKDGDUIOEMOW-UHFFFAOYSA-N 408.462 1.967 30 10 HDEE CCC[C@H](CCCS(C)(=O)=O)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 789389093 QCUKSEOGMQBPSQ-MRXNPFEDSA-N 400.522 1.745 30 10 HDEE CC(C)=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 790704894 GGIHTJRWFUVYCZ-JQBIEYAESA-N 417.579 1.958 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 793113131 RKJWSUIBSYVVHW-INIZCTEOSA-N 404.469 1.465 30 10 HDEE N#C[C@H]1CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CCN1C1CC1 795429082 SBMYBJBMYANCGC-ZDUSSCGKSA-N 420.267 1.943 30 10 HDEE C#CCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 795470768 ZEVHXADSMRDZTH-OAHLLOKOSA-N 417.936 1.543 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1C#N 806423827 DSTUFCAAVKNYHK-FQEVSTJZSA-N 406.486 1.964 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 809895992 CBDPJKDXLYKRJD-OAHLLOKOSA-N 420.514 1.474 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NS(=O)(=O)CC(C)(C)C(=O)OC)cc1OC 811144834 YXOFQEKQWJNKPH-CSKARUKUSA-N 411.476 1.918 30 10 HDEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(F)cc1 812749431 OOJNIJKQOIVUMV-SJCJKPOMSA-N 403.435 1.082 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(C(C)C)nc2C2CCOCC2)CC1 856622995 UJPFFLWIYKNEIT-UHFFFAOYSA-N 415.538 1.255 30 10 HDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OC)c2)n1 1084028515 RGYJJTHPPWESFN-UHFFFAOYSA-N 408.440 1.633 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CO1 1124724230 MNDAXEBBDWHDAG-ZIAGYGMSSA-N 419.482 1.583 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)nc1Cl 1124869898 LZRBTOSSAJABHA-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE C=C[C@@H](O)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1138291876 XWPCQKLJXZFKIV-CYBMUJFWSA-N 406.298 1.378 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)c1 1140666496 OCVPNVWLBUKREH-GOSISDBHSA-N 409.471 1.278 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 1141339492 GVVCALQKYCPUQO-AERCQKQUSA-N 409.511 1.458 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1149971632 FOWYSDVCUACKMY-MRXNPFEDSA-N 415.494 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1156247176 HUVDDIIDZLYGEQ-HNNXBMFYSA-N 401.467 1.338 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CNC(=O)C(F)(F)F)CC2)c1 1169864431 PHDJYHKCTGIBDJ-UHFFFAOYSA-N 410.396 1.707 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CCC(F)(F)F)cc2)CC1 1175515282 VOAXAOBAWADVFP-UHFFFAOYSA-N 403.426 1.407 30 10 HDEE N#C[C@@]12CN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1198085402 TVJUTOVDIGIOCT-PEYYIBSZSA-N 405.303 1.603 30 10 HDEE C=C(Cl)C[C@@H](NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1207129152 LBOLUBPRCQMASM-OAHLLOKOSA-N 418.947 1.844 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 1230277171 MZELVYBNMBAZEF-QGZVFWFLSA-N 405.451 1.810 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOCC1 1230797957 CZEDLQOEGRFZEP-UHFFFAOYSA-N 405.520 1.293 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccccc3C#N)CC1)CCO2 1255313165 MKYAZFNNVFGVHL-DKTYTTGXSA-N 412.490 1.891 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1264351246 VCPUQBJQSXLODW-HEUOVEHFSA-N 402.476 1.705 30 10 HDEE N#Cc1ncn(CCNC(=O)c2c(Cl)ccc(I)c2F)n1 1271805092 BKXPOTDXNJDGOP-UHFFFAOYSA-N 419.585 1.977 30 10 HDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286326920 HGCVJLMXKHQCJC-UHFFFAOYSA-N 400.527 1.207 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CCC)C(=O)OC(C)(C)C 1286371915 ICMYUODLYDOKKN-OAHLLOKOSA-N 404.515 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)C(C)(C)C 1286420407 PYOGZWQXBXECGB-HZPDHXFCSA-N 409.556 1.412 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286537550 FPGMCYJVZYDJBW-BDJLRTHQSA-N 411.304 1.100 30 10 HDEE C=CC1CCN(c2nnc(COc3ccccc3OC)n2Cc2nnn(C)n2)CC1 1286663464 CPVOZTJGWHWLCP-UHFFFAOYSA-N 410.482 1.840 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286772896 GHBIXMVPCCTYMX-CABCVRRESA-N 422.530 1.781 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286783669 YGENGHACHVSDJJ-MRXNPFEDSA-N 410.522 1.867 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1286789464 GUSSWLRUQILNDM-KDURUIRLSA-N 424.505 1.502 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C2CC2)C1 1286798809 OSILDULHWFKOSB-IIBYNOLFSA-N 412.494 1.868 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286969347 FTSLZJNBEDKFNL-UZLBHIALSA-N 417.535 1.209 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1288505739 CEVZWPIDOCZRSU-AWEZNQCLSA-N 411.510 1.577 30 10 HDEE C#CCC1(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CCOCC1 1288973804 KJCSVMVVXIUXBN-UHFFFAOYSA-N 407.264 1.863 30 10 HDEE C[C@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1291020256 CUNPOCJAQPEMHK-IRXDYDNUSA-N 424.505 1.870 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)cc1 1291849826 LHFABQBTNHVWLA-HNNXBMFYSA-N 405.451 1.997 30 10 HDEE C#CCCN1CCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1292437769 QHNHRWJJUIVKBP-MRXNPFEDSA-N 401.511 1.915 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 1293566688 YURLXBCYCNHFSA-UHFFFAOYSA-N 407.474 1.826 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1295212429 UVXQZANGQKPPIJ-CQSZACIVSA-N 401.529 1.340 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1299366515 SUIITSRLTCEXOE-UTKZUKDTSA-N 411.462 1.622 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc(O)n3CC)CC2)c1 1299925190 DFIPSVAQDOMQLK-UHFFFAOYSA-N 416.503 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1300268246 PVRIYKNUMPIXLH-MSOLQXFVSA-N 402.543 1.209 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCCS(C)(=O)=O 1300468015 QAWLQMSZAYTAGP-UHFFFAOYSA-N 414.535 1.801 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@H]1OC 1300554922 MNITWXKDANSGSY-ZWKOTPCHSA-N 422.489 1.440 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)C(C)C)CC1 1300688454 FSIJDWHXAYNMTF-UHFFFAOYSA-N 410.522 1.481 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)no2)CC1 1300689008 OOCKNDYIJKKDMG-UHFFFAOYSA-N 407.434 1.953 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC(=O)N(C)C)CC1 1301075541 IIALFELROHCNSI-UHFFFAOYSA-N 421.509 1.946 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301216629 NYBPRRWVKMHYET-MRXNPFEDSA-N 424.571 1.446 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1301270742 KOHYNNULEJHNBJ-RXVVDRJESA-N 407.559 1.909 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1301283202 SCGHKMMUGRLYAE-ZZEZOPTASA-N 403.446 1.965 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1301474678 FUXYBRJXUQMYGP-WMZOPIPTSA-N 417.514 1.592 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2F)CC1 1301500426 MIPUUESZTHPBNN-INIZCTEOSA-N 414.485 1.550 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1301953531 SHFBXNLFZDVLTQ-YKCBXCCJSA-N 407.515 1.454 30 10 HDEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)cc1 1302131766 UYCNTJXHRBAAIQ-QAPCUYQASA-N 412.494 1.899 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)cs1 1304675790 LYIOLTLDLDDHLG-QGZVFWFLSA-N 423.502 1.510 30 10 HDEE CCc1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306134948 PUUPQCPTYOXDHF-VHEBQXMUSA-N 402.499 1.356 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)CC23CCC3)CC1 1308058174 BYJCGWUCXCTONM-MRXNPFEDSA-N 401.536 1.202 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCO1 1312418124 DMQUWSCTYDBERK-LJQANCHMSA-N 424.498 1.693 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ncn(C)n1 1314389442 FIPDSPPLIWTQIN-UHFFFAOYSA-N 407.482 1.190 30 10 HDEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)cn1 1314903358 FHVWBQYGABAAGP-UHFFFAOYSA-N 418.505 1.885 30 10 HDEE COc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1324578714 SNGKCFKVBYJBDQ-MRXNPFEDSA-N 406.446 1.059 30 10 HDEE COCCNC(=O)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1352507276 TWFQWAGRMLSKFL-KRWDZBQOSA-N 424.542 1.965 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1359017171 VXLKLBBSBOCXGG-KRWDZBQOSA-N 420.510 1.996 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1359034946 HIKIVFHIKJLGIM-XUVXKRRUSA-N 401.555 1.988 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1359049278 LRYUYXDTJMHYLU-ZDUSSCGKSA-N 417.626 1.587 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359123715 IRZMMFSRKZHFTI-SFHVURJKSA-N 402.543 1.525 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359187012 ZUFXEPRRWCRAQH-INIZCTEOSA-N 409.494 1.089 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359285540 PBTFCJFWZIOZJM-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1359286447 QUPNBACPBGFDJN-GOSISDBHSA-N 421.505 1.483 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1359322572 YMPQQIDZCAKAIJ-IRXDYDNUSA-N 424.567 1.921 30 10 HDEE CC(C)(C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(C#N)cc1 1361012539 HJXLDWPHEQUQOH-UHFFFAOYSA-N 420.517 1.811 30 10 HDEE C[C@@H]1Cc2cc(C(=O)Nc3ncc4c(c3C#N)COCC4)ccc2N1S(C)(=O)=O 1436893404 BGOPCNCLZFAPSN-GFCCVEGCSA-N 412.471 1.989 30 10 HDEE Cn1nnnc1-c1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1440838630 XXXWXLTXLMNNDS-UHFFFAOYSA-N 400.395 1.566 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)ccc1OC 1443926301 LIVUNHVRQXYHIK-VBKZILBWSA-N 402.451 1.761 30 10 HDEE CCOC(=O)N1[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC[C@H]1c1ccc(C)o1 1445692549 SDJVWZZSHJJGAH-HOTGVXAUSA-N 402.451 1.835 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1nc(N(C)C)ncc1Br 1446275419 DUXDRDYJBHGOPD-UHFFFAOYSA-N 407.276 1.187 30 10 HDEE CCOC1CC(O)(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1448506528 CKPHKOFYLIEJSK-UHFFFAOYSA-N 408.296 1.803 30 10 HDEE C#CC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCCC1 1455184953 HOHAEQJAYMYBSY-BZUAXINKSA-N 410.536 1.719 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1455496325 PRHJHRPCLYZTIU-JKSUJKDBSA-N 401.488 1.944 30 10 HDEE C=CCC1(O)CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 1455927461 PKZZUAUBEQTSDA-UHFFFAOYSA-N 421.563 1.376 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC23CCOCC3)s1 1456952887 HSNWUZDQROIWJU-AWEZNQCLSA-N 400.522 1.209 30 10 HDEE N#Cc1cc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)cn1 1459141279 HMQIGGMDYYUBMY-HNNXBMFYSA-N 406.446 1.485 30 10 HDEE C#CC(C)(C)N(C)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1459940121 KOUGWXVCOZKFGP-UHFFFAOYSA-N 413.927 1.643 30 10 HDEE CN1Cc2c(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cccc2C1=O 1460857978 RBPLSFRADJZWCT-SFHVURJKSA-N 417.425 1.988 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1461420771 DUBSNJHEZJKXLT-RFGFWPKPSA-N 420.428 1.957 30 10 HDEE N#Cc1cccnc1NCCNC(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1464509290 QUNJWOAUUDVKPW-SFHVURJKSA-N 409.446 1.519 30 10 HDEE Cc1c(C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cnn1CCC#N 1464675312 MXDAUYXVEQXAFY-UHFFFAOYSA-N 414.897 1.837 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)CC1 1468013459 OHWYPTZVSUPVFI-CYBMUJFWSA-N 418.441 1.561 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@](CO)(C(F)(F)F)C2)C1 1469727756 BQUNYMZPNNMQJX-MKBNYLNASA-N 406.405 1.702 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)c1 1469741826 CMBFNQDPZIIUBL-UHFFFAOYSA-N 407.492 1.986 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1471983939 LTAJPZDWNNHRHC-QGZVFWFLSA-N 413.503 1.920 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499729619 VJMFFLKZTWUMMC-DLBZAZTESA-N 414.510 1.842 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1505323488 FMGJBIZVTXODKR-RBUKOAKNSA-N 402.543 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCCO 1507517303 GNUFMLOCIASHDW-IPJJNNNSSA-N 419.570 1.623 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NC(C)C)c1 1507551563 YAXPXMWIEDHJJH-KRWDZBQOSA-N 424.505 1.363 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1507576444 XAMOXEQHRJVXMU-MRXNPFEDSA-N 417.539 1.023 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(CC(C)C)CCO1 1507693484 BULNCBQBBCGGIL-SFHVURJKSA-N 402.543 1.217 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507720730 FNBXOOXMPCHMFX-FQEVSTJZSA-N 401.603 1.430 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOCC(=C)C)CC1 1507728334 QSROVBSYQMNFTA-UHFFFAOYSA-N 400.552 1.982 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](C(N)=O)C1 1507749722 ZDAXKHXRWRQMAC-HNNXBMFYSA-N 414.491 1.921 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507929097 NFZUJFMAAPAWCZ-IBGZPJMESA-N 417.602 1.989 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1507936710 IRUAKUGXKJMNIN-UHFFFAOYSA-N 424.509 1.886 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507957883 XFFIHRVBLOXWGW-IAGOWNOFSA-N 407.515 1.347 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCCCO 1510202228 XQAJFIYHDVTZSB-YJBOKZPZSA-N 412.560 1.571 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1512484991 BWFJKFUMBYXJGV-ZEVGMECHSA-N 421.505 1.883 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1515056669 HOEKDHGWQZTXCH-HDICACEKSA-N 412.494 1.583 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1517124117 GNXYKZJXHUHGFA-LJQANCHMSA-N 424.505 1.714 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1517667508 DNNVHOREOHPOOV-UHFFFAOYSA-N 424.505 1.978 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1518466288 DRAZSQUVPLKSKO-LJQANCHMSA-N 421.498 1.754 30 10 HDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1519372806 IQINGQLAAMVLEO-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)c1 1526134414 VKRAQGTVGNBUAL-FQEVSTJZSA-N 421.453 1.760 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 1526380720 ZXWRIDMWVLZNMI-QHCPKHFHSA-N 403.438 1.708 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 1531586927 QDTLAENZSKXEFV-HXUWFJFHSA-N 411.479 1.889 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2c3c(nn2C)CCSC3)c1 1535253076 LMUBFKYVYWGMLQ-UHFFFAOYSA-N 424.526 1.696 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1538983695 VIDHLEIQWFOLEM-SNVBAGLBSA-N 419.262 1.876 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](F)COC)c1 1539043690 TUHGHTDYEYTOSR-IRXDYDNUSA-N 415.469 1.823 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539215631 HIXDJKFBQWMDMI-HOTGVXAUSA-N 403.508 1.310 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1539253209 OOKDNCRPYIAIFX-UHFFFAOYSA-N 424.530 1.561 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539460170 ZBOTUUVGIIYNFK-VGOFRKELSA-N 413.570 1.692 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1)C1CC1 1540095813 WPJQFFDNXAYIMU-GFCCVEGCSA-N 421.552 1.801 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1541907693 CAKIYGCUQBNLGB-CUGJGTHOSA-N 424.571 1.568 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543121464 KEKJYDBWLGFHHI-UHFFFAOYSA-N 400.485 1.833 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)OCc1ccccc1Cl)c1cc[nH]n1 1543287305 JMDGABSLAWEQQU-UHFFFAOYSA-N 422.825 1.207 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(O)CCSC1 1543310591 BMPQXTMLMWKLAF-LJQANCHMSA-N 402.499 1.792 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@@H](C)N(c2cnn(C)c2)C1=O 1545036076 VBXINLMYJUBNNO-VNQPRFMTSA-N 403.483 1.337 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3cnn(C)c3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1545242476 QLCFEEBYAMOBON-UHFFFAOYSA-N 410.327 1.990 30 10 HDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C1CC1 1547595456 BRTQXIPTIOTLSA-UHFFFAOYSA-N 423.521 1.539 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)C1 1548042602 FQGGWFMLHPMOPV-MLZSNDPCSA-N 407.515 1.528 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2cncn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367943 XVSUJEDMIDWSMP-MRXNPFEDSA-N 420.395 1.388 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1552708919 FBGAKEFRHSQCJB-UHFFFAOYSA-N 410.478 1.935 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1556750296 GGPWTSHXSXRCBR-OAHLLOKOSA-N 409.851 1.861 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1557894965 HHFSDAVICPPIGU-GFCCVEGCSA-N 421.454 1.306 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CC1 1562174907 DNTOLOPUNFSVAF-LJQANCHMSA-N 413.503 1.956 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1565220189 WEXDECWGXCEKKH-UHFFFAOYSA-N 407.492 1.185 30 10 HDEE Cn1ccc(NC(=O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1568384177 BPIGUULAIILCSX-DMAKZNTKSA-N 416.482 1.262 30 10 HDEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1583654695 WOXUCKPLHNZLBW-RDJZCZTQSA-N 417.491 1.262 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1587604821 ZORPIKILPOPYPQ-ZDUSSCGKSA-N 404.430 1.674 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)nn1 1587613522 LANBYNSLNIGGTJ-UHFFFAOYSA-N 411.462 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587646166 UCGODZJJKXVBRN-HZPDHXFCSA-N 419.526 1.747 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588050565 SLERHJWPOFMOOY-GHTZIAJQSA-N 414.531 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1c(CC)nn(C)c1CC 1588174542 WYDKASOVUDRZSQ-UHFFFAOYSA-N 409.538 1.786 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCSC1 1588219572 VZPUAUKDXDIFIM-HXUWFJFHSA-N 413.503 1.337 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 1588766059 QJLSWSVMKTYBKY-INIZCTEOSA-N 410.561 1.834 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1588806501 SZZCVOJYLMHACJ-MUUNZHRXSA-N 401.540 1.038 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1588914081 VSTFMKCKBNKFEM-UHFFFAOYSA-N 403.446 1.752 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594511264 MYRBYEVPSLRMTI-KRWDZBQOSA-N 423.521 1.013 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1594807407 NWVHEKWVXRSMMX-INIZCTEOSA-N 416.526 1.271 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)OC(C)(C)C1 1595466756 MPRFHFUXALNZDN-CQSZACIVSA-N 406.531 1.502 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)ccc1F 1611306148 BVMYTEJCAUDEDY-SOUVJXGZSA-N 413.515 1.518 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1613086352 JPJLOYVEYJIMJE-LAUBAEHRSA-N 411.510 1.536 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC1CC1 1617386030 HSLJITAZGXERTJ-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE Cc1nc(CC(F)(F)F)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1618172084 ZMTDHAVRDMEKPY-IINYFYTJSA-N 407.439 1.496 30 10 HDEE N#CCCn1ccc(NC(=O)Cn2nc(Br)c(Br)n2)n1 1618199501 QGZRFZXURGEGNM-UHFFFAOYSA-N 403.038 1.552 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 1622551243 HNTQDDIADLTLCU-ZDUSSCGKSA-N 415.309 1.695 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)Cc1cnn(C)c1 1623890678 RWRCGZVDPDYIKM-HUUCEWRRSA-N 400.907 1.723 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1624137319 HACZIXVGWJZQTQ-NEPJUHHUSA-N 405.212 1.144 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1625165671 SKEAALBOQRZEET-HNNXBMFYSA-N 404.875 1.815 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1625165746 VFFJZKQEJVQQQB-ZDUSSCGKSA-N 423.288 1.974 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CC[C@H](C#N)C1 1627125181 BDWSQHMSZNKZBV-QMTMVMCOSA-N 421.519 1.959 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ncc(CC(=O)OCC)s2)c1 1629825333 BWYFJKJPIFBLSX-UHFFFAOYSA-N 421.500 1.437 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1630505511 XLGGQHGBOVVQPD-HUUCEWRRSA-N 420.535 1.267 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1630751731 TYUJKONKDCNLAF-KZNAEPCWSA-N 421.538 1.779 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1633580376 WJMCYLUKRDYAGC-QGZVFWFLSA-N 400.479 1.559 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 1633739284 RLAHBSCIFNRUIW-JMSVASOKSA-N 419.425 1.793 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1634076616 QQXJIDJSOIXGDX-KZNAEPCWSA-N 415.490 1.604 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(F)(F)F 1635288600 PFSHGJLBMBCAPU-JTQLQIEISA-N 403.304 1.944 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1635567384 USCJWILOJXBEIJ-RVWIWJKTSA-N 413.499 1.619 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)CC1 1636661095 ZTYGNTMCDDAJLN-UHFFFAOYSA-N 415.309 1.348 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CCO2)cc1 1637252034 FSGWGWQJZAPJFJ-KRWDZBQOSA-N 418.450 1.628 30 10 HDEE CN(CC(=O)N(C)C1CCCCC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1641288808 HCKNFTAWWQLARD-UHFFFAOYSA-N 409.483 1.986 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)n[nH]2)c1C 1643321208 ROCGYSAAPOUFLF-UHFFFAOYSA-N 410.400 1.827 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2ccc(C#N)cc2)cn1 1644515314 SGSBOFWJKXUIEZ-GOSISDBHSA-N 401.492 1.482 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O 1645693561 YXCDSLRHCUETNW-XEBPYGPHSA-N 419.478 1.911 30 10 HDEE C#CCNC(=O)CCN(Cc1ccccc1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1646086060 YDQRZIDMNIEXNE-RTBURBONSA-N 401.507 1.608 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCO[C@H]1c1ccc(O)nc1 1648676639 BBPIVVCPHAKNRM-XLIONFOSSA-N 406.446 1.897 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1650738825 AEDMWEDHLPLMQR-HNNXBMFYSA-N 410.467 1.058 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1651132122 NWTYCTHQXOITBV-QGZVFWFLSA-N 417.487 1.073 30 10 HDEE C#CCN1CCC(NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1652172393 BEQYNZPSEZSAPH-MUUNZHRXSA-N 411.568 1.348 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]2C[C@@H]21 1653120509 KOGNGBFGWQKMKO-CVEARBPZSA-N 420.491 1.057 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1656553693 OXZXYGHZVYKMTP-QLPKVWCKSA-N 406.508 1.524 30 10 HDEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1657321180 SCFSSRAYDKFGMD-WOJBJXKFSA-N 415.534 1.978 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@H](c3nc[nH]n3)C2)cc1Br 1665450921 DBSUKYHGDQIJJX-QMMMGPOBSA-N 400.233 1.756 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1667075915 KEKKGAICMLITDA-MRXNPFEDSA-N 421.519 1.983 30 10 HDEE C#C[C@@H](NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccc(Br)cc1 1674025259 BLSNOWPMWMGFSP-CABCVRRESA-N 419.279 1.801 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COC(C)(C)C)c2)CC1 1675128932 QZVYLOZBALEDMA-UHFFFAOYSA-N 408.524 1.619 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@]1(O)CCOC1 1680024192 BYDVPJXOZGAUAD-UWJYYQICSA-N 400.479 1.530 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 1680684755 HAJQKBUDJPZJKU-LSDHHAIUSA-N 401.529 1.771 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1682362430 ZSFRPWYZLWTFBP-GFCCVEGCSA-N 403.426 1.922 30 10 HDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCC#CCN(C)C)CC1 1684871912 SKBHLZCYPNIQFD-SFHVURJKSA-N 406.914 1.446 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(n3ncc(C(=O)OCC)c3C)CC2)nn1 1686847922 KHMPCUKGAMCOSM-UHFFFAOYSA-N 401.471 1.692 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CC[C@](F)(C#N)C2)C1 1687572268 MNDBWKUVWLFGSU-DYVFJYSZSA-N 418.491 1.058 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1689827059 ZDRKYOMCMLGYJL-CABCVRRESA-N 405.524 1.712 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1689930465 RUKXCVYLCRXMDF-JKSUJKDBSA-N 403.512 1.027 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1689971957 BXEFHNISBAMVDS-UHFFFAOYSA-N 419.537 1.004 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1690206297 NBKGTEMHUXGDOA-FXAWDEMLSA-N 421.567 1.959 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1690246599 WBLKRCZXUTZWAP-AOIWGVFYSA-N 416.526 1.269 30 10 HDEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCNS(C)(=O)=O)CC1 1690382466 PLGPIHJTAGYJJS-UHFFFAOYSA-N 409.487 1.702 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1697988971 PQLRLWXGWXQPGS-IBGZPJMESA-N 409.494 1.514 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1698484812 VYPIXXMJDYDYGI-HNAYVOBHSA-N 406.462 1.257 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1705617119 NOXBZSUSKZCICK-FQEVSTJZSA-N 412.586 1.625 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1705623547 WDWYCORDVOGUKC-UHFFFAOYSA-N 418.461 1.056 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705828518 PXKXASMVBRJRLW-ROUUACIJSA-N 402.499 1.656 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1705864511 DOULFKYCKNQOJZ-UHFFFAOYSA-N 424.484 1.909 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1NC(=O)CC1(C)C 1705879865 NMSKHXQLQLUBHY-OAHLLOKOSA-N 404.515 1.068 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1705924734 GBQXPUWRBKZGFO-JKSUJKDBSA-N 416.526 1.916 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705934301 IGHBKVGUUYUWBW-INIZCTEOSA-N 409.556 1.641 30 10 HDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705947693 UVONFJMJXYKVJK-HNNXBMFYSA-N 419.580 1.767 30 10 HDEE C=CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705949573 CIWKYGAUBVFKDH-PMACEKPBSA-N 424.567 1.845 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCn2cncn2)c1 1722306557 CGZDXPQBZVCDNR-UHFFFAOYSA-N 408.466 1.163 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1722315893 VRCYNMYTZXLWRT-MRXNPFEDSA-N 412.494 1.914 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722340693 FWBRKQGVHDETMP-LEWJYISDSA-N 417.510 1.763 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722342155 SRFAEDZDMVMKOX-FUHWJXTLSA-N 406.494 1.920 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCN1CCN(Cc2ccccc2)CC1 1722349789 AZHAAJNFBNQPOX-UHFFFAOYSA-N 416.533 1.622 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722358613 JNLDWLYCGZTVJG-ZIAGYGMSSA-N 402.467 1.452 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1722385724 KGQUAVKYDIQKLU-HTAPYJJXSA-N 410.474 1.478 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CSCCS1 1722387919 RPZYQTBLRGMQKT-ULQDDVLXSA-N 406.577 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(CC)C2CC2)CC1 1722446097 MOHZKHLJUHHWCD-UHFFFAOYSA-N 421.549 1.790 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1722555550 LTVMMULZXZEVLK-HNNXBMFYSA-N 415.947 1.910 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(N)=O)c2)C1 1722720238 IWCVYDUEZSGNPA-GOSISDBHSA-N 424.505 1.329 30 10 HDEE CCc1nc(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)cs1 1727456208 CNCMIAOHMBIGIO-ZBFHGGJFSA-N 420.539 1.992 30 10 HDEE CCCOCc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1728240662 SUMHNCCIXPXVNL-RTBURBONSA-N 424.505 1.933 30 10 HDEE CCO[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728947528 QDELRIMRSVGMSK-DXQAYGFFSA-N 402.499 1.933 30 10 HDEE CO[C@]1(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1729952516 INEYSHZQXNTPAU-HSALFYBXSA-N 423.489 1.566 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1730764012 ONDUSRUCUVCAER-UHFFFAOYSA-N 418.523 1.156 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740617376 QFVPMAACLUKKFV-RBUKOAKNSA-N 407.584 1.868 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740638487 JUXXOILJSUOXTA-CVEARBPZSA-N 414.510 1.463 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCS(=O)(=O)C1 1740644319 BHJXXFWVGZPMFN-MRXNPFEDSA-N 419.551 1.094 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1740671653 LREKMGLKRUAWEL-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCN1CCCS1(=O)=O 1740679412 XXGLKIXNUXWLOH-UHFFFAOYSA-N 405.499 1.655 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740786628 JUUXVQHJMKPMIZ-CVEARBPZSA-N 418.498 1.042 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2c[nH]nc2C)C1 1740971362 WURDTBQILBUNNX-QGZVFWFLSA-N 401.515 1.862 30 10 HDEE CC(=O)N1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1741023921 ZHYLYISXHCMVSQ-ZWKOTPCHSA-N 402.499 1.159 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1741126756 VNXPIIHNHASLKM-ZDUSSCGKSA-N 421.483 1.341 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1748640487 VTAXKHBQCWPGBL-LSDHHAIUSA-N 424.571 1.137 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO 1748682452 VUGZDGBMMIMWDU-QAPCUYQASA-N 402.568 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1748824455 BUSPXMGKIDNING-UHFFFAOYSA-N 413.547 1.947 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1748829687 HESWTAYBHKYFHA-BZRIBIQUSA-N 412.534 1.944 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN(C)CCOC)CC1 1748984101 MJLZAGKYGMLTLJ-UHFFFAOYSA-N 410.566 1.977 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)c2ccc(F)cc2)CC1 1748986528 BHRDAHZRGLEZPV-FQEVSTJZSA-N 423.496 1.961 30 10 HDEE C#CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1749048295 MLJXJKFJJHFWHG-PMACEKPBSA-N 421.567 1.259 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)c1ccccc1 1749241952 XPIDATBKXUUAGS-ZWKOTPCHSA-N 408.506 1.845 30 10 HDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1=O 1749867312 ZNWKZDWMUQIPIX-MRXNPFEDSA-N 414.466 1.221 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1750007391 KLKWSASRWBNQSG-MNOVXSKESA-N 424.246 1.719 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1750950170 WGGSIOLFIPXZGN-AWEZNQCLSA-N 411.466 1.130 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCC(O)CC1 1760167782 CIUSAYHJNFJXKH-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760187192 IRKKYARHOOCOHS-BRSBDYLESA-N 424.542 1.937 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cccs1 1760242724 MLHUTPWIOQTEDZ-LJQANCHMSA-N 405.524 1.472 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(=O)N(C)Cc2ccccc2)CC1 1760264840 XVIJJBBCULLSSP-UHFFFAOYSA-N 410.522 1.228 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1760440576 MSAGWYXUDNOUAM-QGZVFWFLSA-N 409.556 1.980 30 10 HDEE CCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)cn1 1765322179 HYEHUCZUTNHKNS-IBGZPJMESA-N 409.429 1.632 30 10 HDEE CCCN(CCC)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766020849 LUWMVJIJVQQJDQ-KIJUOZEOSA-N 402.499 1.935 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1767374376 LDXYOORIIGWZNY-QEEYODRMSA-N 404.515 1.583 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1767605704 ZCNKNESGUIUKMN-XOBRGWDASA-N 416.482 1.477 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1767847811 RLLGJGNRBYKWAV-RHSMWYFYSA-N 418.523 1.227 30 10 HDEE COC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769471781 SSWOWCLXFDGRCF-ZDUSSCGKSA-N 415.454 1.206 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCCN2CCOCC2)cc1 1771533411 KQHICWINSBATRC-UHFFFAOYSA-N 423.521 1.255 30 10 HDEE C#CCCN1CCN(C(=O)CCCn2nc(-c3ccc(OC)cc3)ccc2=O)CC1 1850952628 QOQLUGCWKWLYFL-UHFFFAOYSA-N 408.502 1.867 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)cnc2c1C#N 1851393024 PGJIXVJKOUDJNR-UHFFFAOYSA-N 416.441 1.272 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1F 1852617428 JAUCBOGHSLSPGV-HXUWFJFHSA-N 415.490 1.655 30 10 HDEE CC(C)(CN1CCN(CCn2ncccc2=O)CC1)C(=O)Nc1ccc(CC#N)cc1 1853087755 WPKIQOLUDJGZHK-UHFFFAOYSA-N 422.533 1.592 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3ccc(Cn4ccnc4C)cc3)C(=O)C2)C1 1853728883 CTCQJLAYNQLRKA-OAQYLSRUSA-N 407.518 1.785 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854641747 IBNCMJLMDDDWFH-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE C[C@@H]1CCN(C)c2ccc(C(=O)N3CCN([C@@H]4CCN(CCC#N)C4)CC3=O)cc21 1855009618 IPHKCZOHAPREMQ-IEBWSBKVSA-N 409.534 1.902 30 10 HDEE COc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1855321630 OVDNWUBQEDOKIC-KRWDZBQOSA-N 402.428 1.657 30 10 HDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c1C 1856058697 OPAOJZDGABWLOV-HNNXBMFYSA-N 407.492 1.374 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1856230890 BLGFLONDPCPVBA-GOSISDBHSA-N 406.486 1.954 30 10 HDEE COc1ccc2nc(N3CCN(C[C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)sc2c1 1856347196 MALSHGPHRPHWAE-CQSZACIVSA-N 413.503 1.716 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1=O 1856353153 AVGKAJIKHZRDII-SFHVURJKSA-N 405.520 1.776 30 10 HDEE COc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1S(C)(=O)=O 1866890160 KKPDVCVEPOQQMY-GFCCVEGCSA-N 401.444 1.727 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)cc1 1870095531 PWVDGEADYPSWJW-UHFFFAOYSA-N 422.430 1.774 30 10 HDEE CCCCCCCCN1C[C@H](C(=O)N2C[C@@H](C)NC(=O)[C@H]2CC(=O)OCC)CC1=O 1872999268 CWVMYQHKWAETQH-KZNAEPCWSA-N 423.554 1.864 30 10 HDEE C=CCN1C[C@@H](C(=O)N2Cc3cc(OC)c(OC)cc3C[C@@H]2C(=O)OC)CC1=O 1873025679 AFAWUNBHZLKCJS-JKSUJKDBSA-N 402.447 1.165 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)NCC#CCN1CCc2ccccc2C1 1889867412 SUCSFXLLUHTUTA-UHFFFAOYSA-N 413.499 1.134 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(Oc2ncccc2C#N)CC1 1891086846 BWLRSQNDCRKZAL-OAHLLOKOSA-N 411.487 1.925 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cccc(C#N)c2)CC1 1891197031 FPXANHJBEJJHKM-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE Cc1c[nH]c(C#N)nc1=NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1959323054 VXSVRTARUGRHIP-UHFFFAOYSA-N 406.487 1.909 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2010406388 UGFUESYSVMMUSN-FOLVSLTJSA-N 422.331 1.909 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)CCOCC1 2054401948 ZCAMMIVZHFGRKM-CALCHBBNSA-N 407.492 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNS(=O)(=O)c2ccc(C#N)s2)C1 2124804979 ZYASQXVTPYYCQP-LBPRGKRZSA-N 401.510 1.924 30 10 HDEE CON(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(C#N)CC1 2174781379 FKPIYHDTULJYCH-UHFFFAOYSA-N 402.517 1.730 30 10 HDEE N#C[C@@H]1CN(C(=O)NC(=O)C(Cl)=C(Cl)C(=O)O)CCN1Cc1ccccc1 2203869702 DIUQIJYENJRJSC-GFCCVEGCSA-N 411.245 1.706 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243676785 NHFZIBGCZLKVQD-OAHLLOKOSA-N 409.336 1.841 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247663246 UZMFBQLRZQKRBZ-ZDUSSCGKSA-N 422.287 1.826 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2255606781 XRFGGWNQRCTCAN-HDICACEKSA-N 422.338 1.913 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2255699869 UBPGIRYBKBTONK-SBUREZEXSA-N 420.322 1.780 30 10 HDEE N#C[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258175002 ICXSMBZMNIISGM-XHSDSOJGSA-N 409.464 1.368 30 10 HDEE C[S@](=O)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2267720865 OCWCSTWGMQWWJW-DEOSSOPVSA-N 407.750 1.296 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1ncccc1C#N)NC(=O)OCc1ccccc1 2270499074 DPEQJIZQRPXTCH-HNNXBMFYSA-N 418.431 1.163 30 10 HDEE Cc1c(C(=O)NC[C@@H](C)CC2(C)OCCO2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808472 WCAWLOUJQGYPCF-ZDUSSCGKSA-N 407.320 1.547 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@](C)(CO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282307414 BORRSXOZLWZEAO-KRWDZBQOSA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](C)[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315503 OVSUIJLLONOLCJ-XELLLNAOSA-N 421.415 1.791 30 10 HDEE C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332559 DAEILSXWRRJVLM-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CO[C@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)CSC 2282353762 JIADBCXJKCMKBU-CYBMUJFWSA-N 401.359 1.642 30 10 HDEE CC1(C)CN[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282489932 FWYXUBMZPPPDNS-ZDUSSCGKSA-N 400.375 1.465 30 10 HDEE CC(C)[C@H](O)[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497906 WOUBLMYVNASUKL-JSGCOSHPSA-N 403.375 1.872 30 10 HDEE COC(C)(C)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501720 AUKFGHVNRLMBOI-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@H]2CN)OC1(C)C 2282507027 AVZHSOGPBFUAAK-AWEZNQCLSA-N 400.375 1.690 30 10 HDEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282522957 RPHCHFIKBCLTFN-LLVKDONJSA-N 400.331 1.092 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)S1 2282840321 GBWHKCAOPSVHBY-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCNC1 2282890409 ZZZVTQPAXJJUGG-OLZOCXBDSA-N 400.375 1.465 30 10 HDEE CC=CC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400652 BIBAYTHHKOSHRD-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2C[C@H]2C(=O)O)OC1(C)C 2284411799 OOKFBBOXHAYQAD-NWDGAFQWSA-N 401.315 1.187 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C(C)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 2297731060 PCIUQNHZBASMES-INIZCTEOSA-N 410.430 1.380 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1nc(Br)nn1CCOC 2307966910 LTXGFUANSWWJGI-GHMZBOCLSA-N 402.293 1.603 30 10 HDEE Cc1nnc(N=C2SC(=C3C(=O)N(CC(=O)O)c4ccccc43)C(=O)N2C)s1 2314543396 CJSIYDJDPUJYAC-UHFFFAOYSA-N 415.456 1.882 30 10 HDEE C[C@@H]1C(=NO)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321213743 GOFPYYSNUVJYKJ-UONOGXRCSA-N 407.492 1.953 30 10 HDEE Cn1nc(I)cc1[C@H](CN)N1CC[C@H]2SC(=O)C=C2C1 2361038509 VFIJJZKTCJLJME-WDEREUQCSA-N 404.277 1.299 30 10 HDEE CC(C)(C#C[C@@H](N)[C@H](O)c1cccc(I)c1)S(C)(=O)=O 2365210989 MBZGYXFDQJGKPA-CHWSQXEVSA-N 407.273 1.479 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792077 LIOHAVYCIHZGDA-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)CN(C)C 2379868443 GLKDRVCKLRLPTD-LBPRGKRZSA-N 402.391 1.926 30 10 HDEE C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1ccc(C(=O)OCC)cc1 32655107 DCCPPENOYAAEHV-HNNXBMFYSA-N 411.414 1.801 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)C(C)(C)Oc4ccc(N)nc43)cc21 96496381 BNYPKXDJQRCTNU-UHFFFAOYSA-N 422.441 1.962 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 410073073 BOZFERBELTWLBW-OAHLLOKOSA-N 404.444 1.883 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)ccc1Oc1ccccc1 426961686 CCDKPDIQPPNHBX-GOSISDBHSA-N 406.442 1.832 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 427712125 MCKXBOPOKNXFDB-JOCHJYFZSA-N 405.458 1.009 30 10 HDEE N#CCCC[C@H](NCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 433015088 VGAXARVEKMDOQO-UXHICEINSA-N 418.563 1.342 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 435869914 DCCFATIVIDNJCW-UHFFFAOYSA-N 414.487 1.728 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 443306453 ASZQNWVTKOPSTF-UHFFFAOYSA-N 410.471 1.461 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)CC1 443348114 ZPWYWTILYKFJQP-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1 443474934 MADBJTHGMFBSJT-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461304784 ZQBFTPZAYLTFDL-ZUOKHONESA-N 407.434 1.578 30 10 HDEE N#Cc1c(CCCNS(=O)(=O)c2ccccc2N)nn(-c2ccc(F)cc2)c1N 467419632 ORNGKMCQINHEHO-UHFFFAOYSA-N 414.466 1.959 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H](O)Cc3cnn(C)c3)c(C#N)c2N)cc1 469216222 VKNCQXWXBISFMI-LJQANCHMSA-N 407.478 1.021 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccnc(O)c3Br)C2=O)cc1 469860071 DYEQJEWICHZQDH-AWEZNQCLSA-N 415.247 1.952 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCc3nc4ccccc4oc3=O)CC2)c1C#N 472746265 FSUVIKCEPRKJIT-UHFFFAOYSA-N 406.446 1.383 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCOC[C@@H]2c2noc(COC)n2)cc1 500738555 WVRDFSYLIOGAEU-OAHLLOKOSA-N 401.423 1.737 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 521961734 VLTULXHUVVDHRN-HXUWFJFHSA-N 420.469 1.604 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@H]2CCOC2)cc1 549682240 VINIRVQUKYSOFX-RTBURBONSA-N 424.505 1.286 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 558676008 APHDXAODCFXQRE-HNNXBMFYSA-N 424.505 1.649 30 10 HDEE CCOCCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 578304454 NDTYTHHJKFRKLV-UHFFFAOYSA-N 418.523 1.396 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1Cc1ccccc1 581982847 BEBWNQSFTLZKGW-UHFFFAOYSA-N 415.927 1.922 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)c1C 583782042 PYGUZZNGPUCAIB-UHFFFAOYSA-N 403.464 1.661 30 10 HDEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)[C@@H]1CCCC[C@H]1CC 603634395 NJWRMVALBHYKQV-HZPDHXFCSA-N 407.515 1.281 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 603797593 DRQNDLYGSAOBOP-OAHLLOKOSA-N 401.488 1.101 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 609040671 DJIPARQAFZMQNN-UZLBHIALSA-N 421.567 1.160 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669811171 QTDHLFRWXUPJLP-UHFFFAOYSA-N 401.515 1.426 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(CC)c(=O)cc2C1 670197731 VUCXVNBAQVFHGG-UHFFFAOYSA-N 408.510 1.855 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1F 703971780 IKZDPDFCNHAIKV-UHFFFAOYSA-N 401.419 1.174 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 734293436 VOCXFZQCVBTRGQ-ORAYPTAESA-N 418.475 1.172 30 10 HDEE CC[S@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 741421938 RYECOGHHUQLDLG-UGOOHZPOSA-N 400.526 1.390 30 10 HDEE N#Cc1cc(COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)ccn1 746954803 REDCJXXUFBPSAF-WBVHZDCISA-N 421.862 1.474 30 10 HDEE Cc1cc(N)cc(C)c1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 752718473 IIBCIFYRVHSMPZ-UHFFFAOYSA-N 402.524 1.663 30 10 HDEE CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 755242369 QRROPKSGOJKYGR-INIZCTEOSA-N 407.478 1.663 30 10 HDEE C=C(C)[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 756015027 QLDPFRZCDOUJAS-OAHLLOKOSA-N 412.483 1.947 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C1CC1 770772873 BVJXPFWCEAKCPM-JSGCOSHPSA-N 402.455 1.111 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)C1=O 771636003 HQGNBBPTALDFAT-ASSNKEHSSA-N 423.429 1.096 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC(=O)CNS(=O)(=O)c2ccccc2C#N)CC1 778095003 JIFKVFDQUKGXQI-UHFFFAOYSA-N 423.491 1.779 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(N3CCOC3=O)ccc2F)n1 788810199 PKCHFEHWZZDXNR-UHFFFAOYSA-N 400.410 1.901 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 788815227 WBCJYJUCBFBRHO-LJQANCHMSA-N 417.554 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2noc(-c3cccs3)n2)n1 788923023 LJXSLOQJQMMTAE-UHFFFAOYSA-N 400.464 1.986 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)n1cnc(C#N)n1 791304883 YOKHGHMVAGFTCS-ZIAGYGMSSA-N 414.470 1.265 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CC[C@@H]2C)C1=O 795181762 CGDDCROAJVEKLE-WGAXCYAJSA-N 424.548 1.069 30 10 HDEE Cc1cc(C(=O)COC(=O)c2ccnc(C#N)c2)c(C)n1[C@H]1CCS(=O)(=O)C1 795966754 OAAMQJVKAREGSS-INIZCTEOSA-N 401.444 1.771 30 10 HDEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 795971284 WKNOKSVTGUMTAV-VIFPVBQESA-N 406.320 1.671 30 10 HDEE C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC(=O)N1C 800527159 WKVCQJBKMXMGHO-SFKFPXOQSA-N 407.496 1.194 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC=C)CC1 800781730 CBTUVNUYDZCLHS-UHFFFAOYSA-N 401.902 1.604 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C\CNC(=O)OC(C)(C)C 807232331 WELSRNZAOKBUKI-GEXIGZQTSA-N 422.507 1.422 30 10 HDEE C#CC[C@@]1(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)CCCN1C(=O)OC(C)(C)C 808595887 SSAIMJSWAZDAMC-JTSKRJEESA-N 420.506 1.960 30 10 HDEE C#CC[C@]1(C(=O)N2CCc3nn(CC)c(=O)cc3C2)CCCN1C(=O)OC(C)(C)C 809708930 LAIFGRLNCBSPMC-JOCHJYFZSA-N 414.506 1.941 30 10 HDEE C#CCSCCNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 810428539 FJOFORDADJFJPX-GMSFPVLESA-N 420.534 1.948 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)c2cnn(-c3ccncc3)c2C(F)F)c1 813982138 DWEVKTRHKIFZKX-UHFFFAOYSA-N 404.358 1.590 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2cncnc2)c1 814726999 GCFZZRUSBCQVNI-UHFFFAOYSA-N 417.520 1.937 30 10 HDEE CCCCCNC(=O)[C@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 916875051 QKFSCLNMHSCUTN-GOSISDBHSA-N 421.519 1.645 30 10 HDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)OC3CCCC3)n2N)cc1 1084284353 NPJPVXZXUKJQKG-UHFFFAOYSA-N 418.479 1.802 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCCN(C)C(=O)c3ccncc3)CC2)c1C#N 1128138086 CGESHEMTJWEXHT-UHFFFAOYSA-N 409.494 1.196 30 10 HDEE COc1cccc(C[C@H](C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)n2nnnc2C)c1 1132853062 KOXXJOMWOQQKAD-PZJWPPBQSA-N 402.458 1.929 30 10 HDEE CC(C)OC(=O)[C@@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1158940508 HZMBWHCMCPPTLY-GUYCJALGSA-N 409.508 1.596 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2cccnc2c1O 1162606993 DNIBKNSHTZHIRZ-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE Cc1ncc(I)c(N2CCN(c3cnccc3C#N)CC2)n1 1163412397 LJUUFQOSDAIHCF-UHFFFAOYSA-N 406.231 1.983 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC[C@H](CC#N)C1 1171910894 AYWSUZACBUXWGD-LSDHHAIUSA-N 408.524 1.898 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)c1 1178597938 MSSMVYCSZJLTQA-MISYRCLQSA-N 421.515 1.519 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 1182823007 MOGJUDCSRVVJEG-SJORKVTESA-N 421.542 1.101 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCC[C@@H]1C#N 1196833341 RESDOJYMXDQPJO-QAPCUYQASA-N 424.954 1.797 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1210874438 KHQWBJVJNOTBBK-ROUUACIJSA-N 407.511 1.703 30 10 HDEE N#Cc1c(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cccc1OC(F)(F)F 1275550060 XOIBKQOTZIXAOU-UHFFFAOYSA-N 412.349 1.893 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[C@H]1CCOC1 1286366112 UGOWWEJQXYEJEX-INIZCTEOSA-N 417.535 1.691 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286393391 KRIARXDSMCEAEC-MSOLQXFVSA-N 420.510 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1286416671 UUPFEBOSLSXNBV-NRFANRHFSA-N 422.581 1.239 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2(N3CCCC3)CCOCC2)CC1 1286483840 ALBDKLFEYJXPQX-UHFFFAOYSA-N 416.570 1.215 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N(C)C 1286527466 CLJSSHWOAVCYAM-HXUWFJFHSA-N 414.535 1.740 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@H]1C 1286782856 BCRUIWORDDCCEN-CQSZACIVSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1286783180 NAPHDPWAFLTUQC-CQSZACIVSA-N 416.913 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286819428 KAYVIMXYCAWXRS-MRXNPFEDSA-N 410.540 1.926 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CCO1 1286943946 CPLNRUFXGIUBCL-KRWDZBQOSA-N 400.483 1.721 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1288234124 SCOLNAXCFYEMMF-SFHVURJKSA-N 401.402 1.820 30 10 HDEE CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293519923 PMKXLCOFSCQEQY-VUAZUDAXSA-N 402.499 1.717 30 10 HDEE C=CCN(C(=O)CN(C)c1ncnc2[nH]cnc12)[C@H](Cc1ccccc1)C(=O)OCC 1296420886 NVIVNXCVGLRIKF-QGZVFWFLSA-N 422.489 1.978 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1296940106 RDQCOJOHMMGSSB-HNNXBMFYSA-N 417.510 1.773 30 10 HDEE CCOCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297109919 AOKUAOSNGYEXBN-BQASMSSTSA-N 418.498 1.202 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccn2)CCC1 1300538280 OXYRTGOCFKQPRO-SFHVURJKSA-N 423.542 1.770 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(N)=O)cc1 1300574719 HYILUDSVNPJUCE-UHFFFAOYSA-N 402.462 1.680 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(N)=O)C1 1300990058 BHRKITWEJWPSPP-AWEZNQCLSA-N 416.482 1.300 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1301023577 HFILZTCNGSXIRY-UHFFFAOYSA-N 413.913 1.827 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1301429034 SQFLAGMYOXBPOE-XOBRGWDASA-N 402.499 1.804 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1301498798 UETUBJYSOJHSIZ-AWEZNQCLSA-N 413.438 1.076 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1301555122 SRYYSBOEMZJQTM-ZWKOTPCHSA-N 419.526 1.596 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1Cc2ccccc2O1 1302100213 XDPVNLKSIGLQEL-NJAFHUGGSA-N 413.478 1.735 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1302456830 CRCUDWIVDFNMCZ-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC[C@@H]2CO)C1 1302979273 PNFNDFWTTYIBJF-MBOZVWFJSA-N 406.506 1.461 30 10 HDEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 1303788651 RLPRHULBMKGWBG-UHFFFAOYSA-N 410.540 1.059 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c(=O)c1C#N 1306833375 DRAVRJXBDXIEQZ-YOGCLGLASA-N 408.252 1.411 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 1312736325 MRCHFHZBHOBPDY-UHFFFAOYSA-N 423.535 1.281 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1312896857 XFJZCHSNKVUHGQ-HOCLYGCPSA-N 419.507 1.170 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1358896361 BQDHLILPMXPUMB-SJORKVTESA-N 424.505 1.920 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1358927948 OVQJGJFWUWYMEX-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1358940358 VSFPPCFJJDLCNQ-NRFANRHFSA-N 403.527 1.647 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1358953623 CSTUSQMLEXEQQE-UHFFFAOYSA-N 411.384 1.614 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)=O)CC1 1359089755 OMCSXXQBTBIDPL-ZWKOTPCHSA-N 418.542 1.456 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1359100625 DPLNQVXYWWYBHM-HKUYNNGSSA-N 417.535 1.480 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CCS(C)(=O)=O 1359276700 MYXKHMMBMAWTOF-UHFFFAOYSA-N 402.480 1.608 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)nc2)C1 1359323649 UFHMOIGQRJLTLQ-SFHVURJKSA-N 419.489 1.587 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CC(=O)NC(C)C 1359330180 JUAUPCBYFVMKDI-UHFFFAOYSA-N 419.551 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cccc([N+](=O)[O-])c1 1359335101 AXUDYQPMEYHELW-UHFFFAOYSA-N 417.451 1.931 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1360110636 SJQUKSFHSBBDOP-MJGOQNOKSA-N 401.559 1.689 30 10 HDEE C#C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(F)cc1 1436645081 TVWLMVRGQSALCP-QGZVFWFLSA-N 423.487 1.748 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ncc3c(c2C#N)COCC3)ccc1F 1436894055 HVPZMTQXROLYPA-UHFFFAOYSA-N 404.423 1.668 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(Cn3cnnc3)CC2)ccc1F 1437418827 OUUCTSHXGZAAPS-UHFFFAOYSA-N 407.471 1.434 30 10 HDEE COCCN(CCC(=O)OC)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1443761513 QLADLWGNMBCZSU-UHFFFAOYSA-N 405.300 1.946 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)CC1 1444363769 XEBCUAPEXUZDBB-LJQANCHMSA-N 403.548 1.471 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(O)cc2)C1)C(=O)OC(C)(C)C 1450094907 JPHCWYQRNQWLJF-ZWKOTPCHSA-N 416.474 1.978 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[S@@](=O)CC(F)(F)F)s1 1453316638 XJAOXDVSWYFLOV-XMMPIXPASA-N 418.484 1.182 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1454357348 YLHDORBCHYARLL-MRVPVSSYSA-N 409.689 1.518 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1457929369 VWAIJRBHSWGJCA-LJQANCHMSA-N 417.487 1.427 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 1463689234 BJTHKNOVVUAILS-STQMWFEESA-N 419.322 1.661 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 1467906713 ZKGMZBRYKFCQBI-AEFFLSMTSA-N 409.508 1.241 30 10 HDEE CO[C@H]1COCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1468358537 XHDQSBCOROJPGN-PXAZEXFGSA-N 408.296 1.925 30 10 HDEE CN(C)C[C@]1(O)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1471375325 ZYSZUAVETYWTFP-GOSISDBHSA-N 407.312 1.282 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCOC1 1472399381 HSLPFNAZDYANHK-OAGGEKHMSA-N 411.499 1.906 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1475546502 QENTXFGZDVZGLU-CYBMUJFWSA-N 404.282 1.481 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]23COCCN2C(=O)OC3)cc1 1476042088 ZLGSYDZYEXTVTH-OAQYLSRUSA-N 414.462 1.844 30 10 HDEE CCCCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1500438990 YJZDRRFEJAWJHL-RMYFCYLKSA-N 415.498 1.382 30 10 HDEE COCCN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1=O 1504913036 BMIZTQRNUJMOPV-UHFFFAOYSA-N 424.436 1.892 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCN(c2ccncc2)CC1 1507623302 VALDOHDWZIELRZ-HXUWFJFHSA-N 409.538 1.806 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1507690900 YTSLKHAQOVTHNP-MRXNPFEDSA-N 418.519 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCn2cc(CO)nn2)CC1 1507722630 CFGXCPWCFCJEFV-UHFFFAOYSA-N 420.521 1.183 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)CC1 1507726965 MVTXOFNCGJRNEM-UHFFFAOYSA-N 417.473 1.829 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507755039 KACYIIRTSBGGNN-UHFFFAOYSA-N 411.597 1.457 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2CCOC[C@@H]2C1 1507783125 CDYRCHSWLVWHLG-GJZGRUSLSA-N 412.332 1.602 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507966413 XOXIGLHCTLAIEG-RBUKOAKNSA-N 410.522 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](C(=O)OC)C1 1508133883 NFPSXBAUAYZNAM-CQSZACIVSA-N 408.480 1.447 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC#N)CC1 1508274906 HNTYCTMNTKWKGC-QGZVFWFLSA-N 420.521 1.719 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1509956437 WHXAWRXHHWWCBD-AWEZNQCLSA-N 416.482 1.676 30 10 HDEE CC1(C)C[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1510300676 BLYPPAWMXXHODW-QGZVFWFLSA-N 414.535 1.944 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1517399136 YIAXWMZVFRLXCK-MRXNPFEDSA-N 414.491 1.810 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1518270287 CQVPMOHJSALSDK-INIZCTEOSA-N 421.461 1.838 30 10 HDEE COCCn1c(Cc2csc(C)n2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519178077 KZRYCAMRMQGRAY-UHFFFAOYSA-N 411.491 1.815 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1519325532 GLXXUJKFKNQABW-VQIMIIECSA-N 414.510 1.845 30 10 HDEE CSC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1519973705 NCCUJSQJGQOSOC-DLBZAZTESA-N 420.583 1.728 30 10 HDEE CN1C(=O)CC[C@@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1526162072 BYXLCQGEQBKBNK-CYBMUJFWSA-N 411.418 1.286 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1536038478 HAYCSGRAGMUOEM-OAHLLOKOSA-N 405.410 1.704 30 10 HDEE N#C[C@]12CN(C(=O)Cc3csc(CCC(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1537014516 HZOLVUWMXXTNQL-IINYFYTJSA-N 407.439 1.577 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(OC(F)F)cc(OC(F)F)c3)C[C@H]1CS(=O)(=O)C2 1538308428 FQUVPLGBSZUVDR-QFYYESIMSA-N 422.356 1.900 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3nc4ncc(Br)cn4n3)CCO2)cc1 1538556317 RFRIXOOGZNORTJ-AWEZNQCLSA-N 413.235 1.972 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539072216 NHRCMXVWKOFTBL-QGZVFWFLSA-N 423.583 1.884 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(C)COC1 1539190439 JTSFPHPFYMRGJB-UHFFFAOYSA-N 408.550 1.749 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1539368685 AYHGNURKIFXNMF-JXFKEZNVSA-N 420.535 1.757 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCOCCCO)CC1 1539474099 JMQIDPGXHIAPCR-UHFFFAOYSA-N 411.506 1.310 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1539751754 TXXRGXKWZZSIDE-KRWDZBQOSA-N 407.515 1.583 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1540093154 YKNSEXGRZKLAHR-SPYBWZPUSA-N 412.556 1.369 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540857216 GNMGONARZPPNKJ-HNNXBMFYSA-N 400.508 1.876 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2[nH]1 1540869194 FGIWCQYXPSMFOB-KRWDZBQOSA-N 407.478 1.649 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1540876644 XLDGZYLJOULUHV-WOJBJXKFSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C)C1 1540904610 OAGCXMJQAXDKIA-GJZGRUSLSA-N 416.569 1.017 30 10 HDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)CN(C)C1=O 1548189552 XMECAGHUHJYOLJ-PGRDOPGGSA-N 424.505 1.742 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1554151001 FFNKASMIEXDWSK-QFIPXVFZSA-N 424.505 1.714 30 10 HDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)cn1 1554340195 BFBJLLOQUJNANW-UHFFFAOYSA-N 416.392 1.587 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCOCCCO)cc1 1555991026 KOVVWDIRFYWFIR-UHFFFAOYSA-N 410.478 1.868 30 10 HDEE C=CCOC[C@H](NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)C(=O)OC 1556375463 JXAATVGZUZIHQF-INIZCTEOSA-N 402.407 1.622 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)cc1 1556430638 GPEWTLDPFIYSJY-OTWHNJEPSA-N 405.520 1.769 30 10 HDEE COc1cccc(-n2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)nn2)c1 1557213805 BSVBSCSIATUDID-UHFFFAOYSA-N 415.406 1.965 30 10 HDEE C=CCC1(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1 1557507094 YDMAGQPQWSNLPM-UHFFFAOYSA-N 400.522 1.374 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 1557541312 DYCUDNHRTOLDQS-SCLBCKFNSA-N 412.471 1.055 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N2CCC(Nc3ccccc3C#N)CC2)CC1 1557718702 SCOHTBWRNZKVKF-UHFFFAOYSA-N 405.524 1.137 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1c(C)cc(C)cc1C)C1CCN(C)CC1 1558506267 BYXIPWCVVVAPJY-UHFFFAOYSA-N 405.564 1.836 30 10 HDEE N#CC1(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCCC1 1565012626 RFKWGCXQUGPPOA-UHFFFAOYSA-N 400.508 1.667 30 10 HDEE C=CC1(CC(=O)NCCNc2cc(C)nc3ncnn23)CN(C(=O)OC(C)(C)C)C1 1566179586 IALJCVMYBAEDQE-UHFFFAOYSA-N 415.498 1.774 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(S(C)(=O)=O)ccc2F)cc1 1568065786 HJBGRBISSZBACF-UHFFFAOYSA-N 424.475 1.071 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1587807838 JKRYOGRVAKJJLH-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1588015593 ADRYUUVQBKHRJT-UHFFFAOYSA-N 406.483 1.890 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588050852 WBCKJYWRTMBVQH-KRWDZBQOSA-N 402.524 1.377 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588055462 WBKMXGGZATXUAM-MSOLQXFVSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588064267 FCONZNHITWPRGV-GOSISDBHSA-N 420.579 1.943 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1588482196 OOHKDCFIWQUXSD-GOSISDBHSA-N 424.480 1.534 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC(=O)NCC(F)(F)F 1588673679 WWAWUXUOYUFKHT-UHFFFAOYSA-N 401.433 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1588930118 NXOYPFHYPFCQPC-JOCHJYFZSA-N 412.538 1.380 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCOCC1 1589162232 CQXOPSQTYNQJOX-FGZHOGPDSA-N 417.554 1.645 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CC1 1594180822 FEKNDSDLHFOAHX-UHFFFAOYSA-N 419.436 1.709 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594218732 QNBWYNHNHLJVQR-FQEVSTJZSA-N 402.520 1.897 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594497323 FOFXMOWIRCFWOJ-MRXNPFEDSA-N 411.572 1.856 30 10 HDEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594992698 PEZRRRYGTOXILY-FQEVSTJZSA-N 420.535 1.646 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1595506899 POBASEQTXKJGSL-GJZGRUSLSA-N 415.494 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1CSC 1595798448 PNBRTXVGVVITBZ-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE COc1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(NS(C)(=O)=O)c1OC 1598208892 UJAUGQZZFBVDJO-UHFFFAOYSA-N 424.475 1.553 30 10 HDEE C[C@@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCO1 1612686938 GGILFTYAHUMIAM-NVXWUHKLSA-N 415.519 1.867 30 10 HDEE CC[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613345622 OSMSRJFUKDNSOP-HFUDNHEJSA-N 402.499 1.933 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1615879307 OFAYSVQQPDJSAW-MRXNPFEDSA-N 424.553 1.395 30 10 HDEE CCO[C@@H]1C[C@H](N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1616535440 ZCJNXXKWERUQEI-WHROQEIASA-N 402.499 1.753 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1617184656 HSIKWICKNQGSBU-IEBWSBKVSA-N 404.536 1.329 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1619970036 YXNOSWHZBPYYCK-OAHLLOKOSA-N 410.482 1.687 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCOCC(F)F)CCN1C1CC1 1620356872 LPBQHPOJBZJDTM-HZPDHXFCSA-N 410.469 1.978 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1 1621912963 JGMLPJUHXKPLNV-CQSZACIVSA-N 403.280 1.636 30 10 HDEE CN(C(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1623582455 SSELJYPSDIBGSK-OAHLLOKOSA-N 411.480 1.259 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(CCCN2CCCC2)CC1)c1cc[nH]n1 1623635566 ULSREEOJTNQGIP-UHFFFAOYSA-N 419.526 1.808 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)c(O)c2)c1 1624906329 FYJULEOXMSQNJL-MRXNPFEDSA-N 415.402 1.382 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1628930264 LGXKVEDDLFBAJT-UHFFFAOYSA-N 408.483 1.058 30 10 HDEE C#CCN1CCCN(C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1634015955 JGYKDOQQJDEPBI-MRXNPFEDSA-N 401.511 1.915 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOC1CCSCC1 1636948520 NKRBEMLBUOMURT-UHFFFAOYSA-N 411.549 1.534 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)c1 1637433301 UVMIMCPSCZRXCT-HXUWFJFHSA-N 421.505 1.081 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCn1ccnn1 1640538082 TXZGYTPBXJHZMM-NVXWUHKLSA-N 416.507 1.288 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)C(=O)OCc3ccccc3)cc2C1=O 1643479344 AGMRIFKXWUROMF-SFHVURJKSA-N 408.410 1.303 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cccc(F)c1C#N 1643560711 KLTSPRSERJZVJM-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCn3c(Cc4ccccc4F)nnc3C2)cc1 1644484074 XXEJUUNDYOHSLI-UHFFFAOYSA-N 418.432 1.652 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)C2CCCC2)s1 1645561282 LYFKHYKWPHVHQK-OAHLLOKOSA-N 414.549 1.993 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 1647981244 ZIEONTOYMQFWRY-JOCHJYFZSA-N 408.458 1.863 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1648274101 LMZHLGPMOOXHAS-YESZJQIVSA-N 420.535 1.157 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cc(OC)cc(OC)c2)c1 1653913940 HNCYPHZACVQRQP-UHFFFAOYSA-N 402.472 1.588 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1658670494 HAIFQXAYUSJTMB-UXHICEINSA-N 418.582 1.733 30 10 HDEE CN1CCN(CC2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)CC1 1670465187 CDXDNRUNOCGUAR-UHFFFAOYSA-N 413.341 1.189 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CCO2)cc1 1670984459 NOBQYHLGQMHXPQ-WSTZPKSXSA-N 419.503 1.377 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1671199781 VNQZXIRJGHQVKO-AWEZNQCLSA-N 405.517 1.271 30 10 HDEE C=CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1672505804 PQKZNWIUZIWVHC-ZDUSSCGKSA-N 401.510 1.238 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 1674596925 JHNJFUFTBQZBBZ-QGZVFWFLSA-N 400.435 1.491 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1)C(C)C 1675965091 YFXAHPZPTBRYPN-ZWKOTPCHSA-N 412.542 1.701 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)Cc3ccccc3F)C2=O)cc1 1682022230 WGTPFIGNZCGBBR-QUCCMNQESA-N 410.449 1.701 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3cc(C#N)ccn3)CC1)CCO2 1684052075 DIDYOPRNOZDMIM-BQIYRTECSA-N 413.478 1.286 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CCN(Cc2ccccc2)C1 1685901532 SWPULRIWZAWYLP-WBVHZDCISA-N 422.489 1.297 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989474 FVBZPSQKUFRJGG-QZTJIDSGSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)CC 1690050897 FPXAFNCFVZKVSB-UHFFFAOYSA-N 405.549 1.333 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccc(C)cc1 1690104028 KRJMXIIPJDOUMX-IBGZPJMESA-N 411.506 1.606 30 10 HDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC 1690174986 NOWHINOZDNPGNZ-OAHLLOKOSA-N 415.585 1.214 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690238944 PNZHFRKPFUOGLC-BMFAXAFESA-N 421.542 1.650 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(O)cc2)CC1 1690364523 SGASOUDDYKMWSK-OAHLLOKOSA-N 405.524 1.993 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1690523836 QGWRLLQYOJXPEM-UHFFFAOYSA-N 402.499 1.739 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C)C1CC1 1690545532 TXRILPSZVUMCGO-CVEARBPZSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1690674379 ZAIDZLZYDPUARF-KRWDZBQOSA-N 416.570 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C)C1 1690714414 MGHJRPVBOXPTDZ-CQSZACIVSA-N 413.544 1.022 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)OC(C)(C)C1 1690726792 LSTMKCZVEQMOGT-INIZCTEOSA-N 419.551 1.868 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1694786721 POSXQLLDCRUICZ-LAUBAEHRSA-N 410.478 1.337 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC[C@@H]1C 1697678494 QOZHRYYNKPIOLP-DKZVUGQWSA-N 410.522 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1705493471 JNDOFSGHRLCBNM-JSGCOSHPSA-N 404.421 1.774 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1705556331 GALLVLORSLPLIK-UHFFFAOYSA-N 412.469 1.347 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1705566615 PPHFWWMGIDFSMW-OAHLLOKOSA-N 405.549 1.819 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705566697 PLYZEIFVNPPFDX-KRWDZBQOSA-N 402.524 1.344 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](COC)OC 1705571891 KGNRWKZPYZBHKF-LJQANCHMSA-N 409.490 1.881 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCC(=O)N(C)C)CC1 1705638617 QLTUKWODYAUYAU-UHFFFAOYSA-N 405.506 1.660 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705653315 FAFAIXVMRPADIF-HUUCEWRRSA-N 409.512 1.009 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1705672963 METCNLQMEWROQF-DNVCBOLYSA-N 419.551 1.579 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1705673355 XEXYJIATBDUUFQ-HRAATJIYSA-N 414.510 1.700 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1705832074 MCGAWCWIFFXXBQ-UHFFFAOYSA-N 415.542 1.837 30 10 HDEE CC(=O)NCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1706059225 CMXKWAAODUOIIB-LJQANCHMSA-N 420.477 1.386 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1708276809 UUFQIVFLSLIZSD-AGRHKRQWSA-N 416.413 1.835 30 10 HDEE CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1709946002 AYNLTVZIQSXDRU-ZDUSSCGKSA-N 400.464 1.800 30 10 HDEE CN(C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1711001035 FIKDPYXMHCJQTJ-GOSISDBHSA-N 400.462 1.288 30 10 HDEE COc1cccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711918700 SGHXJMPZNJPQFJ-ZZEZOPTASA-N 424.461 1.317 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722371268 IHUGSHDXLSWOPL-RRQGHBQHSA-N 402.524 1.347 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)nn1C 1722391534 PCHHDMKRWLXLAP-JOCHJYFZSA-N 410.522 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1722396944 GOLQVPIXCNQCNL-SFHVURJKSA-N 414.473 1.321 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1 1722400983 HPMDQHDBOROGKK-NRFANRHFSA-N 414.579 1.301 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCOCC1 1722423618 KDTISSGYXVZZIB-UHFFFAOYSA-N 422.493 1.433 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCC)CC1 1722429954 VPJYSJGEEFVPIH-IBGZPJMESA-N 413.570 1.144 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1722444256 VWRCCKKECISQPK-UHFFFAOYSA-N 418.542 1.809 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722697166 XAKOQCLFEJWKGD-MRXNPFEDSA-N 419.551 1.815 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722702129 DVQKAIWCSBXVRK-ZIAGYGMSSA-N 417.432 1.980 30 10 HDEE Cc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1/N=CC=CC1=O 1726351979 LDTAGQNXVIQQOY-IJYGLTAASA-N 410.482 1.360 30 10 HDEE C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726619403 JXWNBHREZDXXIU-FZFLATATSA-N 407.478 1.637 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1728759709 BUPQDNRAHYDWRC-UTKZUKDTSA-N 418.542 1.929 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1c(C)nn(C)c1C 1730838487 CSNGENIRKRMWHB-DNVCBOLYSA-N 405.478 1.843 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1730917627 BQIYJFJAPDEYID-OAQYLSRUSA-N 412.494 1.572 30 10 HDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1740582034 JOWMVQXZXZBNSG-UHFFFAOYSA-N 413.478 1.711 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@H]2C[C@H]2C)CC1 1740701135 VUZWJADPUPYVOL-ZBFHGGJFSA-N 407.478 1.472 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740956776 PWFIGRKIMLYHDN-HNNXBMFYSA-N 419.551 1.679 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1740986517 ZKOUNIJGGAJFKP-UHFFFAOYSA-N 413.588 1.549 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)[C@@H](C)CC 1748892720 WBKJZBCIRGGGAS-KSZLIROESA-N 406.552 1.704 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCSC(F)(F)F 1748968772 KNYSMXXQUIPIAM-UHFFFAOYSA-N 405.446 1.740 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749039476 UYOOBOWPMPNMPF-RBUKOAKNSA-N 419.595 1.697 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749218330 LRZFLFRNXOPJPZ-INIZCTEOSA-N 423.539 1.957 30 10 HDEE COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1749306886 CDGAWLWKEHIXFM-NVXWUHKLSA-N 424.509 1.105 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1749663465 GFCGCTXZUYCOPQ-QFIPXVFZSA-N 406.490 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749729523 MKFQHAQVGBOLIE-HNNXBMFYSA-N 418.523 1.033 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1749776975 CBJWDZUPONXNSF-GOSISDBHSA-N 421.505 1.542 30 10 HDEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1750036253 OACQAPAUUMLWKK-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CCC1 1750191240 DPOKYTOIVZUMNR-INIZCTEOSA-N 407.540 1.879 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(C)c1 1750750869 FKVHTORTBUXTFQ-UHFFFAOYSA-N 405.510 1.852 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1751279040 QBKWRQXSDHVHOG-OAHLLOKOSA-N 412.498 1.455 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1751281201 DLVPICOURBPREQ-CSODHUTKSA-N 410.478 1.058 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760117922 VUYAVYCCQDZRTL-NVXWUHKLSA-N 417.535 1.870 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nncn1C 1760172820 AAMJPNYDEKJZOH-UHFFFAOYSA-N 416.283 1.962 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CCC1 1760177443 QOOADFATDITDFM-UHFFFAOYSA-N 412.519 1.553 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760189049 NBJXEKOHBFDYIY-KRWDZBQOSA-N 417.535 1.700 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1760189645 QLTSIAIMDDICJK-IBGZPJMESA-N 413.547 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@](C)(CC)O1 1760251297 WDVXJPYCKJYCOH-LAUBAEHRSA-N 403.527 1.834 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NCCC)CC1 1760255225 FFSNDCHFIFEOFG-UHFFFAOYSA-N 405.506 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CC2)CC1 1760264833 GOGKOYNXFYUMMO-UHFFFAOYSA-N 421.505 1.691 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1760425534 PBKZCOBWMVQOFB-SFHVURJKSA-N 402.543 1.887 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1760473298 PQEAAHQWBSSXOQ-ZWKOTPCHSA-N 402.543 1.741 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1760994846 QRTBEBNAMFKBRH-UHFFFAOYSA-N 404.540 1.924 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1763201026 FCJKWRJKWWCDFF-SFHVURJKSA-N 417.473 1.983 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CC[C@]2(CCOC2)O1 1771281972 ZNWPSUKTJYSATP-OHHNFCFSSA-N 419.526 1.936 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@H]2CCCO2)cc1 1771533338 IGRZCOFFDYPNDJ-LJQANCHMSA-N 424.505 1.729 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771537086 HIXYPFNFNLDDRH-BBWFWOEESA-N 401.442 1.277 30 10 HDEE COc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cc(NS(C)(=O)=O)c1OC 1772792330 KVSMWCATVOKGIL-UHFFFAOYSA-N 420.399 1.443 30 10 HDEE CCOc1ccc(CN2C[C@@H](C(=O)NCC#Cc3cnn(C)c3)CC2=O)cc1OCC 1850459640 PSANGMBSVBLZJT-IBGZPJMESA-N 424.501 1.734 30 10 HDEE O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)NCC#CCN1CCOCC1 1850573589 ZSULBPWMHSDPDZ-UHFFFAOYSA-N 400.866 1.016 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)cc1 1851654575 ZQWWMBRPQMEDGZ-NRFANRHFSA-N 420.469 1.675 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(F)c4)n3[nH]2)CC1=O 1852331538 UBAIUHKWAWEHGK-UONOGXRCSA-N 424.436 1.798 30 10 HDEE COc1cccc(-n2nnc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)c2C)c1 1852438862 RZZIOFAUZANSHM-QGZVFWFLSA-N 406.402 1.828 30 10 HDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)CN1CCCC1=O 1852540194 BVZZUWWLQJWYEM-UHFFFAOYSA-N 421.198 1.667 30 10 HDEE C=CCN(C(=O)CN1CCCS1(=O)=O)c1cc(C(F)(F)F)nc(SC)n1 1852855550 VNINRXLHKUYDPG-UHFFFAOYSA-N 410.443 1.772 30 10 HDEE N#C[C@@H]1CN(C(=O)CN(c2ccc(F)cc2F)S(=O)(=O)c2ccccc2)CCO1 1853402952 NVUZRGIJUYYUTE-OAHLLOKOSA-N 421.425 1.911 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853952648 FEQCVIVCDPSWTL-UHFFFAOYSA-N 413.455 1.305 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854109534 WBNDLAQPDVYIMM-ZWKOTPCHSA-N 418.519 1.372 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccncn4)C(=O)C3)C2)c(F)c1 1854319108 OGZLITXPFPHLJR-KRWDZBQOSA-N 408.437 1.046 30 10 HDEE COc1cccc2c1C[C@@H](C(=O)N1CCN([C@@H]3CCN(CCC#N)C3)CC1=O)CC2 1855019769 WQVXHRSNTCDCFV-RBUKOAKNSA-N 410.518 1.459 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1=O)CC2 1855101184 WUYGKZQEWDPSIT-FUHWJXTLSA-N 405.462 1.419 30 10 HDEE Cc1noc(C)c1CN1CCN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1855105288 YTDYPOKCPBPKIR-FQEVSTJZSA-N 407.474 1.722 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(COc4ccccc4)C3)CC2=O)CC1=O 1855793264 ULRXCSWECAZBAE-PKOBYXMFSA-N 411.502 1.407 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2nccc(N3CCOCC3)n2)C1=O 1855834315 ILVYQJXDLMJCAE-ZWKOTPCHSA-N 413.522 1.875 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1856288433 WRWNKRUJIWWWDC-KRWDZBQOSA-N 423.579 1.750 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2nc3ccccc3o2)C1=O 1856741737 UVYNBBVKCMMZOX-IAGOWNOFSA-N 410.474 1.607 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CC2CCC(=O)CC2)C1)[C@@H]1CCN(C)C1=O 1857060484 FXAQRHZWADRKPR-PKOBYXMFSA-N 403.523 1.620 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc(C(C)C)no3)C(C)(C)C2=O)CC1=O 1857170046 TYRPMVMXAGJANZ-AWEZNQCLSA-N 403.483 1.177 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ncoc2C(C)(C)C)C1)[C@H]1CCN(C)C1=O 1857228177 NGEJYRPHWYUUER-GJZGRUSLSA-N 402.495 1.680 30 10 HDEE COCCN(Cc1cccn1C)C[C@H]1CC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1 1857256086 XUTKHOGYNIBQAS-HXUWFJFHSA-N 408.502 1.963 30 10 HDEE CNS(=O)(=O)c1ccc(OCCNS(=O)(=O)c2ccccc2C#N)c(C)c1 1858061012 YVVYSRSKFQUYCK-UHFFFAOYSA-N 409.489 1.132 30 10 HDEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)c3ccc(=O)n(C)n3)nc12 1859655875 CXPKQKVJHKESHK-UHFFFAOYSA-N 415.413 1.955 30 10 HDEE CSCC[C@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866929534 QKOZGKJTVAVNMT-RDJZCZTQSA-N 423.560 1.950 30 10 HDEE O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932304 ZQBQTPHYEWEWCS-FUHWJXTLSA-N 413.499 1.632 30 10 HDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870097913 DIMHUOKAPHVMRB-UHFFFAOYSA-N 410.375 1.724 30 10 HDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CSCCO)cc1=O 1870245033 UXBIJYPQLUXOFT-UHFFFAOYSA-N 424.544 1.529 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874341763 ROGQFXRUKYHPJL-LEBHLANCSA-N 418.479 1.877 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)c2nc3nccnc3cc2Br)C1 1891327012 WUAVXMXYSSICMR-UHFFFAOYSA-N 411.219 1.957 30 10 HDEE C#CCC[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984839545 LGNGPKLAYMRXHR-ZWKOTPCHSA-N 417.506 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010400487 YNUKKVZTUOLWHF-JHJVBQTASA-N 423.319 1.306 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074666610 CXHLNDGAPOANOP-KRWDZBQOSA-N 402.428 1.853 30 10 HDEE O=C(N[C@H]1CC[C@@H](C(F)(F)F)N(CCS(=O)(=O)C(F)(F)F)C1)C(F)(F)F 2165187979 JFVYDASWIHTMTK-BQBZGAKWSA-N 424.285 1.995 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@]12CC[C@@](NC(=O)OC(C)(C)C)(CO1)C2 2174789277 ORNLIXAHXJVQON-JLSDUUJJSA-N 401.529 1.918 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 2194721148 UTFXYLUJXXWBEV-HNNXBMFYSA-N 400.545 1.541 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)cs2)OC1(C)C 2243423299 WQLPBMXYPDSCRN-UHFFFAOYSA-N 418.246 1.798 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247823801 RTIPGDHAFHIEFD-FQEVSTJZSA-N 420.319 1.838 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 2247837315 QCDBPYRVSIHTSX-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE C[C@@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247915954 MTWVVFQGRXVADJ-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2248405539 UQMIMRBVEJEEPU-UHFFFAOYSA-N 419.262 1.987 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C=CCNC3)cc2Cl)OC1(C)C 2267357881 BXEMFQZYRBEVPD-JTQLQIEISA-N 404.750 1.507 30 10 HDEE C=CCCC1(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 2281015153 SJFWRYNPSRZYFU-AWEZNQCLSA-N 401.529 1.340 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)S(C)(=O)=O)s1 2281932180 JGILKNLEMHHUQW-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H]1CS(=O)(=O)C1(C)C 2282008634 JWYGSQRMDBEPPY-LLVKDONJSA-N 400.331 1.090 30 10 HDEE Cc1nc(C(=O)NCCS(=O)(=O)C(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282028117 ZNFFSZQWXSSAED-UHFFFAOYSA-N 402.347 1.304 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4NCC[C@@H]4C3)cc2Cl)OC1(C)C 2282307184 YGTKUWYDXVNEHT-ZYHUDNBSSA-N 418.777 1.683 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@](C)(O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282324236 MLLOUOWZHAQPST-KRWDZBQOSA-N 401.359 1.795 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282334575 DGXPDVVVRNIBMH-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340038 ANTYWKAIBOSLAK-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@H](N)C3)ccc2Cl)OC1(C)C 2282491075 JZOXBHQNWZMALV-RYUDHWBXSA-N 400.737 1.797 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282498948 LMXUKJMQVGGRJR-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)[C@H](C)CS(C)(=O)=O 2282578338 QJFRBFDTBGXUNN-LLVKDONJSA-N 401.359 1.861 30 10 HDEE C[C@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282848889 TYKZXEGRXWUAKQ-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@](C)(N)C2)c1B1OC(C)(C)C(C)(C)O1 2282866327 HJECRLSUAUSJME-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H]2CCO)OC1(C)C 2282874920 HZERYAJDOUNOBC-CQSZACIVSA-N 401.359 1.724 30 10 HDEE CC(F)(F)C[C@@H](CO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882502 MSSSZUVAAFHDGN-JTQLQIEISA-N 411.301 1.732 30 10 HDEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)C[C@@H](C#N)C(C)C)C1 2289501983 VZQDDNJLQMWRJU-BZUAXINKSA-N 403.545 1.974 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2365212300 QZVNHQHKRCROBV-KKUMJFAQSA-N 400.541 1.019 30 10 HDEE CN[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2365620148 CIJTUGBPOPKERZ-CQSZACIVSA-N 400.375 1.810 30 10 HDEE O=S(=O)(N[C@@H]1C[C@@H]2CSC[C@H](C1)C2=NO)N1CC(OCc2ccccc2)C1 2366828726 PDPRBRPIVFSRAW-MUJYYYPQSA-N 411.549 1.694 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC([C@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367788318 NRHGUCWHHOKMAK-MRXNPFEDSA-N 400.541 1.165 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(CNC(=O)OC(C)(C)C)COC1 2367795189 LKMVBYXIGUEAQZ-HNNXBMFYSA-N 400.541 1.477 30 10 HDEE O=C(CSc1nnc(N/N=C/c2c(O)ccc3ccccc23)[nH]1)Nc1nnc[nH]1 20907427 CIXIRNBDHKGGPL-FBCYGCLPSA-N 409.435 1.958 30 10 HDEE N/C(CCNS(=O)(=O)c1cc(Br)ccc1Br)=N/O 54155932 ONKPZJJLKDNIQS-UHFFFAOYSA-N 401.080 1.626 30 10 HDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 71530842 ZOSVHSRVHURMHE-CYBMUJFWSA-N 424.504 1.514 30 10 HDEE COC(=O)N1CC2(CC2)C[C@@H](C(=O)NO)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 98088146 DJXMSZSZEIKLQZ-IAGOWNOFSA-N 416.478 1.078 30 10 HDEE Cn1c(=O)n(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc21 109890467 UPOAEBMORKUGBW-SFHVURJKSA-N 421.482 1.752 30 10 HDEE C[C@H](O)[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 253382824 JJSXEOJUNBHJSW-VWLGFKDBSA-N 419.437 1.208 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](c2nnc3n2CCCCC3)C1 301172196 GSCMZXKQXAPKPQ-AWEZNQCLSA-N 400.508 1.908 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2cnccn2)CC1 427822339 ZEXBVSBYURIHDW-AWEZNQCLSA-N 415.475 1.085 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 434069251 VXLCNRZMOZPWPT-KGLIPLIRSA-N 400.298 1.249 30 10 HDEE CCO[C@@H]1C[C@](NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)OC)C1(C)C 444288245 QEKRDWQBDXHTKN-DYVFJYSZSA-N 402.419 1.862 30 10 HDEE C=C(C)COCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 475483265 BPDOSQGYIXKGOM-MRXNPFEDSA-N 410.492 1.287 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@@]3(CCOC3)C2)c(C#N)cn1CCOC 481371738 OZCMROYSEKQZCF-IBGZPJMESA-N 406.439 1.206 30 10 HDEE COC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(F)cc1 491080343 SLMJLZVXXSYQKJ-SFHVURJKSA-N 422.420 1.780 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 492292221 VTTYBPJCQNERGW-IAGOWNOFSA-N 406.324 1.999 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 502783543 ZXQOUDLEAMFMMY-HRAATJIYSA-N 421.453 1.979 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)n2ncnc2n1 503454720 JCQHRMJHVTYKNP-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE C[C@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCN1c1nccn2cnnc12 503607545 IOKKRYQOTJYVPT-XOBRGWDASA-N 413.482 1.423 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 506182691 LZQQWMDZNMWBAM-QFIPXVFZSA-N 414.506 1.713 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2C)CC1 507830797 NHSHZILJUFNALI-UHFFFAOYSA-N 406.437 1.508 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 508798542 URNXQBCVROONMZ-QGZVFWFLSA-N 421.523 1.442 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCO[C@@]2(CCCOC2)C1 510627468 CVGMVGNVQYFBQI-NRFANRHFSA-N 404.511 1.833 30 10 HDEE N#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCOCC1 523719110 YCKDFJYFIQHLRA-UHFFFAOYSA-N 411.911 1.930 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)CC2)cc1 526973118 YUHDPPXHADGAHI-SFHVURJKSA-N 413.522 1.698 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1F 536248601 MCQAHJFGXQUWDW-OXQOHEQNSA-N 403.479 1.859 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 538264385 VLAWSCNXVHQTBB-UHFFFAOYSA-N 416.484 1.830 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC4(CC4)C3)CC2)cc1 542042822 MSVBHBBCJQMTKJ-UHFFFAOYSA-N 403.504 1.598 30 10 HDEE COc1ccccc1C(=O)N1[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@@H]2CCCC[C@@H]21 561269540 CQQCLEQTKGSONB-SZMVWBNQSA-N 422.489 1.748 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N(C)CCOCc1ccc(C#N)cc1 564151652 JKVTXBSUCPSVOG-SFHVURJKSA-N 408.506 1.534 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ncccc2C#N)CC1 574961414 BOKDYEIWKTWQDT-SFHVURJKSA-N 409.494 1.099 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](CC(=O)O)c2cnn(-c3ccccc3)c2)cc1C#N 579546172 GOMZRWLLSHQMLU-GOSISDBHSA-N 411.443 1.942 30 10 HDEE CCc1nsc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586864203 NXNQFGSROHTCGV-UHFFFAOYSA-N 402.455 1.076 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C 587405109 KPFQPSYUYMOFMS-COPLHBTASA-N 405.398 1.403 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4ccccc4O)n3C)n(C)c2=O)cc1 606630385 MXHAJQARJRXUPP-FSJBWODESA-N 418.457 1.942 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)NC3CCCCC3)CC2)c1 611089778 UCGVJTNHVIGFQF-UHFFFAOYSA-N 404.536 1.992 30 10 HDEE CC1(C#N)CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 611668572 PNEKNYRQOVILFF-HOCLYGCPSA-N 411.911 1.616 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 613784823 JPMSGQDFXHHOQC-UHFFFAOYSA-N 410.499 1.964 30 10 HDEE Cn1c(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2ccccc2c1=O 619464960 IIHJDTMJBBRJEJ-UHFFFAOYSA-N 423.498 1.312 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619743071 IWAZBAAOAZJDAZ-UTKZUKDTSA-N 419.533 1.992 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCOc3ccc(Br)cc32)C1=O 623227771 QGAGGJICUYMWFO-GFCCVEGCSA-N 422.235 1.366 30 10 HDEE O[C@H]1CN(c2cc(C(F)(F)F)nc(N3C[C@H](O)CC(F)(F)C3)n2)CC(F)(F)C1 682475864 DPBCHPMTOXNAOB-RKDXNWHRSA-N 418.313 1.908 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729332234 LHIZQUUIOMXRJQ-SJLPKXTDSA-N 406.479 1.327 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1OC 729427678 MZZNUHJSOHFUEO-WFASDCNBSA-N 421.450 1.891 30 10 HDEE C#CCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 731213449 CANFWIFWGKBGEK-NRFANRHFSA-N 417.575 1.152 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 732154182 POFLGJVOQQHZDE-JZJYNLBNSA-N 412.377 1.927 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccccc2OCCN2CCOCC2)CCN1C1CC1 732673869 AFFWOZLBVZISLK-HXUWFJFHSA-N 413.522 1.279 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CCN1C1CC1 732675488 UYJKOLUUDADHGE-HXUWFJFHSA-N 413.522 1.279 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)CCN1C1CC1 732706940 RZIZDHUXCLJYQF-IBGZPJMESA-N 409.490 1.336 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 732975551 NGQSKUKTBUGEME-UHFFFAOYSA-N 422.507 1.241 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 744840132 NFPDIUDOLQQGFJ-IFXJQAMLSA-N 401.463 1.630 30 10 HDEE C#CCN(C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 746590801 PHVZHBXGEHBOGT-AWEZNQCLSA-N 424.935 1.536 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2ccccc2)ccc1F 748688555 AXXOKWOYKUDQIN-QGZVFWFLSA-N 406.435 1.934 30 10 HDEE C[C@@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749212144 FUVSDSKYROWANI-UAHGDZPKSA-N 405.484 1.301 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 755131603 IQRJNVWLRRDILX-FXAWDEMLSA-N 406.889 1.118 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C[C@H]1CCCO1 765665403 OUTCXERNSMHFBB-GFCCVEGCSA-N 406.389 1.529 30 10 HDEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)c2)o1 771060624 YKICAJMYSSEBAB-UHFFFAOYSA-N 404.448 1.679 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C)[C@@H]1CCS(=O)(=O)C1 774059327 UQTYWWQRSJVARV-QGZVFWFLSA-N 419.503 1.122 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(Cl)c1 797640071 FZUORHPTFOHCBR-HNNXBMFYSA-N 401.875 1.777 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)CC2)nc1 798165214 ZNHGNVNWOULQMP-UHFFFAOYSA-N 417.223 1.981 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798743157 ZOUQSODWRWMCMB-CHWSQXEVSA-N 401.423 1.539 30 10 HDEE C=CCCCN(C)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 800895509 GDVFBJMCYTUNQZ-UHFFFAOYSA-N 411.499 1.717 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)Nc3ccccc3S(N)(=O)=O)CC2)c1 803922656 MDWKAPDBTASDKN-UHFFFAOYSA-N 417.418 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 811061035 LKDVBUMZTAPGKL-QGZVFWFLSA-N 403.458 1.807 30 10 HDEE COC(=O)CSc1n[nH]c(NN=Cc2ccc(OC)c(OCn3cccn3)c2)n1 1084422634 ROMMAPHCHJVGBF-UHFFFAOYSA-N 417.451 1.757 30 10 HDEE N#Cc1ccc(OC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(I)c1 1128558085 VVRAKEUTXHQKBA-MFKMUULPSA-N 414.199 1.881 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1128731930 UADRGTHPKSDEFB-ZHRRBRCNSA-N 406.442 1.901 30 10 HDEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CCOCC1 1130698455 NZKYDABDRCTMCJ-UHFFFAOYSA-N 408.520 1.871 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1134279947 SXLBZWBHCYIOKN-VZJWBNGJSA-N 423.535 1.420 30 10 HDEE CN1CCC(N2CC[C@@H](N(C)C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)CC1 1136737981 WSHHHHDFWNXUPX-MRXNPFEDSA-N 422.526 1.363 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCC(O)CC2)c1 1137981732 HEFWTDJIYCOHPL-VXPUYCOJSA-N 412.446 1.139 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 1144769166 LAYVKUDQHXAOTR-BJZITVGISA-N 414.487 1.657 30 10 HDEE C#CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)cc1 1153839237 HXPQCKMODBKZCU-UHFFFAOYSA-N 412.431 1.275 30 10 HDEE COC(=O)CC[C@@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)OC 1156805384 HDZGERQIWATZEK-GFCCVEGCSA-N 413.224 1.311 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnc(-c4ccccc4Cl)nc3)C2)c(=O)nc1O 1159489886 KGVKHADMSIWBPA-UHFFFAOYSA-N 408.805 1.628 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 1159641228 HMIPNFUCYQWWFQ-ZIAGYGMSSA-N 410.268 1.437 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1165833466 QFDXQUFXSKYRKL-BIMXEDPFSA-N 407.467 1.220 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N2CCN(CC)CC2)C1 1178917815 SYWOOUUGJUYPAW-MRXNPFEDSA-N 400.951 1.871 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2cccc(Oc3ccccc3)c2)c(=O)n1CCO 1189976923 DQCAKWPHRQJOIT-UHFFFAOYSA-N 420.425 1.613 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CCOCCO)C2CCC2)CC1 1196039751 QIQUPQMBMOOSNH-OAQYLSRUSA-N 418.513 1.398 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(N3C(=O)N[C@@H](CC)C3=O)c2)CC1 1205691515 JDKRHTLPSHOBQP-KRWDZBQOSA-N 411.462 1.515 30 10 HDEE C#CCN(C(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CCS(=O)(=O)C1 1228525710 FWZNTFXSQCOTNR-LJQANCHMSA-N 403.548 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1255063053 RBAVGQCOYBKKMV-OXJNMPFZSA-N 407.515 1.394 30 10 HDEE COc1cncnc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1274692642 AZXGALBHKLJWHR-UHFFFAOYSA-N 401.448 1.396 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286384864 JYSFKUJVULONCH-WBVHZDCISA-N 422.507 1.270 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1286394953 PZSTXBCAWRTXKW-ROUUACIJSA-N 409.600 1.834 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286396379 UPDUKWBGIRCXOZ-FXAWDEMLSA-N 424.567 1.350 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)COCCO1 1286465953 ABJIGUWNHOPZDN-QFIPXVFZSA-N 414.506 1.769 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(OC)c2)CC1 1286476960 LFUHXDRSNHNSKS-UHFFFAOYSA-N 403.490 1.742 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286614832 CSLCMFWYEZMUBA-WDSOQIARSA-N 421.542 1.652 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286699615 VFWLTNNRVBRVSO-GJZGRUSLSA-N 400.487 1.280 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286709445 UEAZKPJANXJENP-HXUWFJFHSA-N 424.505 1.751 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC1CCCCC1 1286768054 PARLDOWAHOITMP-MRXNPFEDSA-N 404.515 1.317 30 10 HDEE C=CCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777593 HRBLSPCFSZGENQ-LJQANCHMSA-N 419.555 1.857 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1COc2ccccc2O1 1286785025 CHHWGFLGNDSASZ-HNNXBMFYSA-N 408.462 1.852 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286789028 NDBPXDDYYNWUAJ-MRXNPFEDSA-N 423.521 1.061 30 10 HDEE N#Cc1ccc(Oc2cccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)c2)cc1 1287914505 HBFNDMWXMGSEFG-QFIPXVFZSA-N 407.426 1.708 30 10 HDEE COc1cc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)ccc1OC(F)F 1290103217 GRHGYKPLWMZEKC-UHFFFAOYSA-N 408.361 1.479 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)n1 1290646097 FQPHGFHTAORXOI-CABCVRRESA-N 407.425 1.293 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1291306109 RWZOSGSPWUXPGN-HRAATJIYSA-N 413.478 1.759 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCO[C@@H]3CCCCO3)C2=O)cc1 1297421799 UBXSASJZSUDECW-IEBWSBKVSA-N 414.462 1.813 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c1 1298367526 XGUNMVPKTFYZIH-MRXNPFEDSA-N 417.508 1.785 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1298785181 GXRWJYDCYHMXAN-UDJKBAMHSA-N 423.477 1.482 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)[C@H]2CCCOC2)C1 1299352675 XFTMUYCPTGIVBW-BLLLJJGKSA-N 408.296 1.661 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1300307332 FAAHTLIKZFVIAB-ZIAGYGMSSA-N 407.565 1.900 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1300315527 YXBQLWQZTXXBRO-JTQLQIEISA-N 400.430 1.770 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300601687 KCRDOSFRCHKZAA-KUHUBIRLSA-N 423.514 1.395 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CSC1 1300607137 ACQMIEGHPWJDCP-GJZGRUSLSA-N 408.545 1.675 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSC(F)(F)F)CC1 1300698352 RJHCXXXOMHVTHY-GFCCVEGCSA-N 402.446 1.237 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 1300875363 SZHWROYUZQYPNH-LJQANCHMSA-N 412.877 1.963 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1301539529 SDSLPMVUDAOHOW-UKRRQHHQSA-N 420.495 1.183 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1302987031 JEIABWJTHXKIQX-YTQUADARSA-N 424.505 1.448 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC4(CCOCC4)CO3)CC2)c1C#N 1313233397 ZQPQYLLFOVMNBB-QGZVFWFLSA-N 416.526 1.408 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1cc(C)on1 1347120205 RDGLQDLXCDYPGI-NSOKGPEJSA-N 403.479 1.729 30 10 HDEE N#CCc1ccsc1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1354834016 GVMNKEIKAPRAEN-UHFFFAOYSA-N 404.473 1.187 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1358928211 WKLVFAZPKAEWBV-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1358995599 XWXUWDVKNFPTKX-UHFFFAOYSA-N 419.464 1.624 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1359010392 OGCDSAXSQAMZSI-DLBZAZTESA-N 423.583 1.897 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCNS(C)(=O)=O 1359093708 RCLXFXGJNVWWCS-NVXWUHKLSA-N 423.539 1.813 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)n2)CC1 1359173282 AYRHAFWJIBWIHV-CQSZACIVSA-N 422.559 1.052 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359187401 MEGGPCVKGAPHFL-HNNXBMFYSA-N 424.571 1.350 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCCC1)C1CC1 1359247266 XNLCQTZUSWQEOT-ZDUSSCGKSA-N 410.544 1.089 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccs2)CC1 1359299287 BESPXXPYZWDENZ-MRXNPFEDSA-N 416.551 1.862 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359320280 OGVILMMYTHFSSH-APWZRJJASA-N 410.540 1.267 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NC)CC1 1359332806 HOMWALCPZBKTIF-UHFFFAOYSA-N 411.572 1.430 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCCO1 1359466109 STKNXHNISRACPV-SJORKVTESA-N 404.515 1.696 30 10 HDEE C#C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C1CCOCC1 1437876798 OQYBXLPZQMVDBL-HNNXBMFYSA-N 400.884 1.680 30 10 HDEE C=CCCn1cc(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)nn1 1440898764 JRLUMBGSSFPJEL-SFHVURJKSA-N 415.494 1.675 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1447485327 MXYVJNZQCKTFAO-RBZJEDDUSA-N 406.483 1.729 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 1455706737 VJKJFVYLTISLNS-RSJGLCBASA-N 419.522 1.387 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)Cc2ccc(C#N)nc2)CC12CN(C(=O)OC(C)(C)C)C2 1456294197 SBYUWZKFLLXISW-INIZCTEOSA-N 414.462 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC3(C#N)CCOCC3)nn2)C1 1458189585 ONWXBEUJYRHDNO-AWEZNQCLSA-N 404.471 1.653 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1461933295 OCVNFMDXWCRSBY-AWEZNQCLSA-N 417.325 1.614 30 10 HDEE C#CCN(CC(=O)NCCCN1CCN(c2ccncc2)CC1)C(=O)OC(C)(C)C 1464562227 UOZYTWWHUGWYLP-UHFFFAOYSA-N 415.538 1.580 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1465278355 HEPKLFMIDOXHHN-GOSISDBHSA-N 416.547 1.451 30 10 HDEE COC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1467360739 DAFTXVXHJDICOM-INIZCTEOSA-N 421.500 1.597 30 10 HDEE COc1ccc(C(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1[N+](=O)[O-] 1467382780 NBQAMVLFQLHARE-UHFFFAOYSA-N 404.329 1.799 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccnc(-n3cncn3)c2)C1 1469728938 IZMCCEUPMPMSKS-LSDHHAIUSA-N 412.454 1.221 30 10 HDEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1470233901 XBUQVOGMSSXPNP-UHFFFAOYSA-N 409.508 1.845 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(N2CC[C@@H](O)C2)CC1 1470284940 GHAIAWAKMMHKHN-CQSZACIVSA-N 408.296 1.757 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@](C)(CO)Cn3cnc4ccccc43)cc2C1=O 1472346498 MNGPPIIYDQBEFG-HSZRJFAPSA-N 418.453 1.999 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 1473430155 VTSSFKHNCUISQZ-CVEARBPZSA-N 404.536 1.855 30 10 HDEE COCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)CC#N)cn1 1504897692 FGILNWYIFPQSPC-MRXNPFEDSA-N 411.514 1.769 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1507617278 RSYUATUYGFFAQK-CRYYWNKWSA-N 420.560 1.176 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507620002 JEARWOFSFGCZEU-INIZCTEOSA-N 417.535 1.228 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1507634873 QKYDGRYFHMXQGI-OAHLLOKOSA-N 406.483 1.663 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccccc1F 1508070645 AQMZFAVHNXROIE-UHFFFAOYSA-N 414.485 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCOC1 1508142926 CNMRXJHQESHIHL-SFHVURJKSA-N 419.551 1.728 30 10 HDEE Cc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1510927857 QFBMSKSVUIKYPF-GHTZIAJQSA-N 412.494 1.799 30 10 HDEE N#CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCO)CC1 1521114703 IZRWFYPSFKBMSS-UHFFFAOYSA-N 402.455 1.145 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1534310007 JWQRADGCGBNTEJ-VGWMRTNUSA-N 404.467 1.601 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1539044819 JEILNJSHIHBPJJ-UHFFFAOYSA-N 404.496 1.210 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1539064048 WZTJZUUAKRJHJO-UHFFFAOYSA-N 411.510 1.518 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539132903 SEEQAHCEFKIKBL-AWEZNQCLSA-N 414.491 1.324 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539201426 ABJVWFXFIDOGHF-CWRNSKLLSA-N 407.540 1.404 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539213440 ZNHPJDGEMLDHOW-OXJNMPFZSA-N 420.535 1.880 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1539459389 FVXVQDZMXLTVFC-UHFFFAOYSA-N 420.521 1.324 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539497665 NPRRTXHSHBGAMP-XHSDSOJGSA-N 423.539 1.303 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1539516857 FLOFLNZTKMHZSP-GUDVDZBRSA-N 419.595 1.695 30 10 HDEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1539983328 XDXIAKRJTURYTR-HNNXBMFYSA-N 402.499 1.625 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540867969 NSZWYFDVATYKIV-RTBURBONSA-N 411.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1540872202 GYOJMHLIXWOPQG-UHFFFAOYSA-N 417.558 1.743 30 10 HDEE CC(C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541341130 KXEBRLHZHMFRGY-VXAPJYQHSA-N 414.510 1.791 30 10 HDEE CC(C)CSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1541593933 CKGIDBUJRRMWLQ-CABCVRRESA-N 413.569 1.298 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnnn3CC2)c1 1543096169 FOQAFAURUFEVQB-AJMWVYNUSA-N 417.495 1.077 30 10 HDEE COC(=O)[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@H]1c1ccccc1 1544571814 KLPVOPZCHQQTGG-ULYRPOKDSA-N 405.458 1.732 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2C(=O)Cc3ccccc32)s1 1544831452 YLCCQSNEKSARIF-UHFFFAOYSA-N 419.528 1.460 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1=O 1544858383 AXYWPSYYVFPTSG-GDLHICMESA-N 400.866 1.690 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1548302816 RNPOLFLFBISRBB-SWLSCSKDSA-N 420.495 1.002 30 10 HDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)n1 1554341510 FPVCHBUTIHNBTB-QGZVFWFLSA-N 418.505 1.885 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 1556346842 KWOGNSXBBQIPMI-UHFFFAOYSA-N 409.240 1.541 30 10 HDEE CN1C[C@@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1557385704 IMMDNXHTECDICD-DLBZAZTESA-N 416.478 1.128 30 10 HDEE N#Cc1cccc(ONC(=O)Cn2nc(Br)c(Br)n2)c1 1557923121 WHBIUAVAOXDMEC-UHFFFAOYSA-N 401.018 1.785 30 10 HDEE C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805560 QQFKCKNANCZWJQ-SECBINFHSA-N 409.229 1.978 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(Br)ccc1C(=O)OC 1561799267 QKUWTSMSCOHFMW-GFCCVEGCSA-N 404.282 1.942 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)c(C#N)cn1CC 1562960233 HDOPELATDPCHRC-KGLIPLIRSA-N 405.455 1.314 30 10 HDEE N#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1c(Cl)cccc1Cl 1565586749 FNQNZVZKSZZFHP-NSHDSACASA-N 408.249 1.592 30 10 HDEE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[C@@H]1CCCN(O)C1=O 1569676175 OLVCFINRAZPLQB-MRXNPFEDSA-N 424.486 1.918 30 10 HDEE COCCNC(=O)C1(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1570161094 XPUVEQVHWOLYED-UHFFFAOYSA-N 402.300 1.319 30 10 HDEE COC(=O)[C@@]1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C 1587261670 KIWLIPLSACUGPB-PCMMCCAGSA-N 412.446 1.421 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1587626183 IEBUKGCGVCCTCQ-LPHOPBHVSA-N 408.506 1.572 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1587803806 NYNMAHNJUBTHLD-AWEZNQCLSA-N 416.913 1.975 30 10 HDEE C=CCC[C@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OCC 1611329336 CZTCTEAREPFVGW-INIZCTEOSA-N 401.467 1.392 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCOCCS(C)(=O)=O)n1 1612183721 CERLQKLTTLSANW-AWEZNQCLSA-N 406.512 1.306 30 10 HDEE CCc1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1616142233 KMPNZMHPKTYAGS-UHFFFAOYSA-N 421.454 1.026 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@]2(C#N)CC23CCCC3)c1 1616329899 AWYLKXHJBDVILE-YJYMSZOUSA-N 404.492 1.512 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1=O 1618464819 XLRMSGQBNUBXIN-HRAATJIYSA-N 410.478 1.432 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC(F)F)CC1=O 1618487709 FCOUOQHJIHSLSR-UHFFFAOYSA-N 420.420 1.636 30 10 HDEE COC(OC)C(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 1620314705 ACMJNUJIOIRPDS-SFHVURJKSA-N 416.522 1.702 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3nnn(C4CC(C)C4)c3C2)c1 1622452817 YHAYLSJROMFAPL-UHFFFAOYSA-N 415.519 1.912 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nc2n(c1C#N)CCOC2 1623340153 HNNVVDPXVZVURS-INIZCTEOSA-N 410.409 1.591 30 10 HDEE C[C@@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)n1cnc2c(N)ncnc21 1623494390 HXOITHVNEDHFRM-BBRMVZONSA-N 408.441 1.518 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1623848825 WGNYSOFKCSGLGC-UHFFFAOYSA-N 407.496 1.238 30 10 HDEE C[C@H]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn2C1 1624062041 IUVLUQFGSJYIFC-HNNXBMFYSA-N 413.503 1.484 30 10 HDEE C=CCOC[C@H](NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)C(=O)OC 1626204952 RKDJKQDCGWNPLU-KRWDZBQOSA-N 403.431 1.903 30 10 HDEE CCOC(=O)[C@@H]1CSCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626805371 CVUFGKAXFJUVOF-GJZGRUSLSA-N 416.459 1.228 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cnc(Br)cn3)CC2=O)cc1 1627400307 WJFZVPDTDKYTDN-LBPRGKRZSA-N 400.236 1.780 30 10 HDEE COC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(OC)c1 1629427502 ROPWESPELJMVFT-IBGZPJMESA-N 416.455 1.512 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(C4CCN(C)CC4)C3)n[nH]2)c1C 1633237314 FOZSJRXIBDTZQG-QGZVFWFLSA-N 411.554 1.974 30 10 HDEE C[C@H](O)C[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633711179 UVYPKDORGHWLFI-NPBUUECASA-N 407.511 1.772 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nnn1-c1cnn(C)c1 1634564671 GENRIHWFWUZURT-SFHVURJKSA-N 424.896 1.985 30 10 HDEE CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)S1(=O)=O 1636136545 HPPQFIHRPVQIPN-NEPJUHHUSA-N 402.469 1.161 30 10 HDEE COCCCn1cc(C)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 1636995237 XCGZIFSBVNHCIG-UHFFFAOYSA-N 405.480 1.295 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)C2)cc1 1638196924 LVIWEIPZWZWLKR-CQSZACIVSA-N 417.512 1.749 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1ccc(C#N)cn1 1638376732 RKTXYJJFYCAQTH-KAOXEZKKSA-N 406.364 1.555 30 10 HDEE C=CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1638410944 HDRAYTSMMSWAGI-RBSFLKMASA-N 418.581 1.692 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)c1 1638481909 YQTQIUGJNDLLIF-LJQANCHMSA-N 407.492 1.502 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)c1 1638687374 YTMLBVIESFPMHZ-VIFPVBQESA-N 402.354 1.491 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1639687837 MEPGBMSZEYJRHO-BBRMVZONSA-N 414.549 1.605 30 10 HDEE CC1(C)CCC[C@](O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1643537090 RISOIVACZSTDIY-HXUWFJFHSA-N 407.536 1.953 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 1643887841 DXLLUPBLCFRUJD-VQIMIIECSA-N 411.487 1.325 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 1644492066 JCSZFMYYZHYPGO-LAUBAEHRSA-N 400.479 1.796 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(F)cc3NC(=O)c3ccoc3)C[C@H]1CS(=O)(=O)C2 1645991007 ILIQOAMDEFSKRT-ORAYPTAESA-N 417.418 1.681 30 10 HDEE COC(=O)c1cnc(CC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)s1 1648190850 GHUBGXQDMNSBDW-UHFFFAOYSA-N 403.508 1.840 30 10 HDEE Cn1c(=O)[nH]c(N[C@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(C#N)c1=O 1651549565 FQEIQJOLSDYNLR-CQSZACIVSA-N 421.379 1.740 30 10 HDEE CCOC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1C(F)(F)F 1654705594 VJMMNPWQDBUQNY-CHWSQXEVSA-N 405.398 1.400 30 10 HDEE COC(=O)c1ccc(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)n1 1655106665 CIVBDYSMAUGIBX-AWEZNQCLSA-N 418.450 1.826 30 10 HDEE Cn1cc([C@@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)NC3(C#N)CCC3)C2)cn1 1655363757 ZIOCSMGDPFZOBC-HZPDHXFCSA-N 401.511 1.730 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1656149300 IBZKFWDSTQPBGM-RHSMWYFYSA-N 415.537 1.190 30 10 HDEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1659853258 SSHDNVLDZVITPE-CYBMUJFWSA-N 417.505 1.226 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CCOCC1 1664330571 WBHHMERTCQPITQ-UHFFFAOYSA-N 400.522 1.630 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1668441652 IXJWWYHABJLQCM-QGZVFWFLSA-N 402.495 1.532 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 1672352015 BPMPBTOQZJUKDL-QGZVFWFLSA-N 418.519 1.173 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673468670 HOZVXEMVPDQRHY-CQSZACIVSA-N 423.311 1.623 30 10 HDEE C#CCN1CCC(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1678022692 FTRPCOGFHZVJHS-RMMWZPCPSA-N 401.551 1.356 30 10 HDEE CNC(=O)C[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1681194151 OMGSTGBMEOARLE-GFCCVEGCSA-N 401.446 1.222 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1689892474 GNMFAOUTTNWEQH-KRWDZBQOSA-N 421.523 1.644 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1689913449 OJJRZSXBRCCJOO-HOTGVXAUSA-N 409.556 1.433 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)C(C)C 1690034870 UZRMJTITTDOPHC-NRFANRHFSA-N 401.511 1.165 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(C)CCOCC1 1690101137 PIHPEUASFAWYPQ-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1nncn1-c1ccccc1 1690104272 RMICZJZYBMOALM-QGZVFWFLSA-N 407.478 1.497 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690167394 HPWWRBNOAXNBBV-UHFFFAOYSA-N 422.580 1.122 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690236210 JQVMLABIAOOAGJ-XFQAVAEZSA-N 418.542 1.360 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 1690395070 XATWWAKQHOBPNA-UHFFFAOYSA-N 421.567 1.741 30 10 HDEE C=CCN(c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC)C1CC1 1690548518 DDVKWWLHUCWTOS-UHFFFAOYSA-N 414.535 1.985 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C)C1CC1 1690550395 VUOGBDZCHUNZSN-VLIAUNLRSA-N 417.535 1.964 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690661628 BDJOMTAXTFANJZ-HOCLYGCPSA-N 414.897 1.616 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)cc1OC 1690671169 QBNMOZJGOPOVKR-MRXNPFEDSA-N 415.494 1.738 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1696689587 SQPVOQLSOXWRPE-QFIPXVFZSA-N 424.505 1.714 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1 1696826557 HNPGOJSCWYKZAK-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1noc2c1CCCC2 1698172428 WVNAPOASEMIBIK-CABCVRRESA-N 416.482 1.646 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1698223343 NISCFDGHLPMBSM-LPHOPBHVSA-N 415.494 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1705476857 GGFGQGAVIALAMD-CABCVRRESA-N 423.514 1.907 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705508117 PLKLTIZNFZRVDK-ZWKOTPCHSA-N 401.511 1.702 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1705582889 LQKHSTNBYPUJDB-MRXNPFEDSA-N 418.469 1.774 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCN(C)C1 1705602214 MIVIHNCTMMDUHL-DEOSSOPVSA-N 421.545 1.949 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(Br)n2)CC1 1705642702 FDNXFWKTVWPTPW-UHFFFAOYSA-N 419.327 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2c(C)nn(C)c2C)CC1 1705652706 JVSOUHPXOOEKGU-UHFFFAOYSA-N 413.526 1.179 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCSC2)CCOC1 1706660984 QTEDMVIBFBHKSW-KFKAGJAMSA-N 409.556 1.925 30 10 HDEE Cc1cc(C)n(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)n1 1707838448 DSVANJGVVGBSFX-QGZVFWFLSA-N 412.498 1.147 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1708257610 LIBONBKIMORPGU-CJNGLKHVSA-N 409.450 1.030 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1712689532 UHAQPXOKXPUSHP-INIZCTEOSA-N 401.492 1.355 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccn(C)n1 1722282061 KYXFYXMBWKKHPR-OAHLLOKOSA-N 402.466 1.355 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722333266 UISZFSTVKFGPOD-FGTMMUONSA-N 423.583 1.139 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722340814 JDCUGRQMQONTRL-JXFKEZNVSA-N 405.499 1.621 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722340956 NNVCBWSRIXFBSK-LJQANCHMSA-N 416.570 1.924 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1722365737 FCSHZVMSXUVNOC-QGZVFWFLSA-N 402.524 1.149 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1722385044 YOBAIGHWLGFLSB-INIZCTEOSA-N 415.400 1.245 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCOCC2)CC1 1722561403 TWKAIQHTLBOFTP-OAQYLSRUSA-N 405.543 1.809 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1722706223 NMFKTMGSZPXXKB-OKZBNKHCSA-N 402.543 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1Nc1ccn(C)n1 1722730505 UWIWYIFLIYDBSB-UHFFFAOYSA-N 404.500 1.218 30 10 HDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1728419425 NYPJDWCIGMKLTE-FQEVSTJZSA-N 423.521 1.904 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1729232474 KWXJXJLICNHQQP-MHZLTWQESA-N 423.564 1.456 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)c1 1730022540 FQGBMYOZYCOKSN-RXVVDRJESA-N 413.478 1.852 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@@H]2CO)CCO1 1731187000 IIPQVUWYRZWLSM-KZNAEPCWSA-N 404.515 1.095 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740546144 GEIKGIUQAHLDEV-UDJKBAMHSA-N 405.462 1.633 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740639457 UXRNKNWULNFUQK-PMERELPUSA-N 420.498 1.578 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc(C)c(C)s1 1740688703 UBNIGPYUROWQBK-UHFFFAOYSA-N 402.524 1.608 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740723511 QYPRFXJRGFNWDD-RTBURBONSA-N 418.611 1.712 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)CC1 1740752401 WHCXVPNHFGSCGC-IKGGRYGDSA-N 412.556 1.552 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCOC2=O)CC1 1740818563 NJYXXBNHPIYIEN-UHFFFAOYSA-N 411.466 1.924 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740951966 QUPDCIIVYRPHSN-CVEARBPZSA-N 423.525 1.471 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740961189 OBTKOXIJSGNXIP-SJORKVTESA-N 411.462 1.594 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1741687670 PRTRWDPFMQLBFQ-ROUUACIJSA-N 421.505 1.446 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748710174 IVLFDADNAKJGJK-CQSZACIVSA-N 419.507 1.433 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1748710291 LVOJYQMQPBBNIC-ZWKOTPCHSA-N 412.538 1.775 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1748772473 WIIIIIPPSHFQPG-KNQAVFIVSA-N 418.586 1.414 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(COC)CCOCC1 1748799397 RULNVZFHIXAIOQ-UHFFFAOYSA-N 417.535 1.782 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748964463 KCMIPUHLEGQRCQ-UHFFFAOYSA-N 402.499 1.181 30 10 HDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1749033503 HHNUEWXFPVXZHQ-CQSZACIVSA-N 421.486 1.689 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1749652458 ONHSBTYWVPUVBF-UHFFFAOYSA-N 416.489 1.635 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)C)C1 1749714361 ICNUWNRMNYRODN-QGZVFWFLSA-N 409.494 1.386 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1749932562 DUFFEZXSGFQVAE-VQPPSCEASA-N 424.505 1.462 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750103912 BUJKJFWGFKRTOV-IRXDYDNUSA-N 413.434 1.594 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1750385586 RWEGEFKCZUGWCQ-KGLIPLIRSA-N 415.466 1.344 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[C@H]2COCCO2)CCO1 1750387912 DWPNSZXBMZSWER-JKSUJKDBSA-N 417.441 1.530 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760169198 DXLHVUQLPLEUGX-UHFFFAOYSA-N 411.487 1.892 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nccs1 1760210207 OFEPXCPDXRNHHW-GJZGRUSLSA-N 420.564 1.611 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@@H]2OC)CC1 1760261597 UEXNXWGCIBJKHL-PMACEKPBSA-N 411.554 1.710 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCS(C)(=O)=O 1760320072 RZVZCGHFLGEMPM-NVXWUHKLSA-N 407.540 1.746 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)CC1 1760382670 WFQLBKVVUJZGOR-INIZCTEOSA-N 404.540 1.991 30 10 HDEE C=CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1760430644 PAGLUHRHPQEPQE-UZLBHIALSA-N 407.515 1.238 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1760441785 USPRKQOBJXKJJS-UHFFFAOYSA-N 423.521 1.954 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760448879 SFOOJULFHRUPSC-HNNXBMFYSA-N 403.487 1.548 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760521064 ITBJUCIOVXHIBZ-RDJZCZTQSA-N 418.542 1.215 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(OC)C1 1760548445 GVIOMRCVHWFMFO-GOSISDBHSA-N 413.544 1.022 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1760695120 AYUSFZKNZSBWPR-NVXWUHKLSA-N 420.583 1.650 30 10 HDEE CC(C)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1760937511 IAYWNJSTCFTQTF-DCOQFNDQSA-N 402.499 1.932 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1770156326 GCZREDXXHNASJI-GOSISDBHSA-N 413.478 1.869 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H]1C 1772881884 SZMGCACKFGSJCL-IRXDYDNUSA-N 420.525 1.812 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)C1 1848809735 DBLIKKYMHFUVPT-UHFFFAOYSA-N 406.398 1.044 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)[C@H]1CCN(C)C1=O 1848993123 TUUFIZBMMXIAEP-HOCLYGCPSA-N 401.463 1.302 30 10 HDEE Cn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N1CC(Oc2cccnc2C#N)C1 1849859166 ZCCREMLOYAANAD-UHFFFAOYSA-N 403.398 1.986 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCN1CCC(C#N)CC1 1850085955 MDAKSOSVHWZOAS-GOSISDBHSA-N 410.515 1.480 30 10 HDEE C#CC[C@@H](F)C(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 1850539533 RGXWONLCFCIUFO-QGZVFWFLSA-N 401.417 1.797 30 10 HDEE O=C(NCC#CCN1CCCCCC1)c1ccc(N2CCS(=O)(=O)CC2)cc1 1851856495 NGRKYNMOWPEUBF-UHFFFAOYSA-N 403.548 1.531 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)NCC1CCN(c2ncccc2C#N)CC1 1851944625 BFBRNTRZBAZEBE-QGZVFWFLSA-N 405.524 1.100 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1852906397 KPIIKOSCTFTJAI-ZDUSSCGKSA-N 405.418 1.478 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCC2 1853679197 FYJDGJPSUUXNAE-HNNXBMFYSA-N 402.520 1.525 30 10 HDEE COCC(=O)N1C[C@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CCC1=O 1854427696 SEVQTFOPJMYPOD-SFHVURJKSA-N 400.479 1.456 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1OC 1854957966 RCQAZCQVQNRKQA-WMZOPIPTSA-N 414.506 1.755 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1855036650 NPUDNFBDSPCXHL-PGRDOPGGSA-N 414.481 1.511 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855599608 CGKPGPMOVJFJDN-IEBWSBKVSA-N 416.522 1.157 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855733810 BIJSDQBEFYGUQE-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE COCC(=O)N1CCCC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1856194722 PBQUGEVOBQKNFU-SFHVURJKSA-N 400.479 1.598 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1(C)C 1856394790 IOQRWHSCUNZEHS-SFHVURJKSA-N 419.547 1.865 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C(=O)C23CCCC3)cc1 1856583671 NXFHBLGXFOUGPT-GOSISDBHSA-N 415.515 1.477 30 10 HDEE Cc1ccn2c(=O)cc(CN3CCC([C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc2c1 1857231465 WSQJRHXJQOGNJV-KRWDZBQOSA-N 407.474 1.504 30 10 HDEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873593868 JNESITOZFDTPCN-UHFFFAOYSA-N 421.505 1.057 30 10 HDEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(SCCO)nnc1C(F)(F)F)OCCO2 1874463488 MDFDYKSOENSOOW-CNHKJKLMSA-N 419.341 1.943 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c([N+](=O)[O-])c1 1891373741 FXOYPACHIICRTC-AWEZNQCLSA-N 404.404 1.712 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)nc2ncnn12 1891433413 CFJDSBOUFIBOEE-CYBMUJFWSA-N 406.450 1.767 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNc1cnn(CCO)c(=O)c1Br 2076349817 KIPGAWRXLQESBY-UHFFFAOYSA-N 417.304 1.881 30 10 HDEE CCOC(=O)NS(=O)(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2157048103 WWCNGDFWWIIWFM-UHFFFAOYSA-N 404.319 1.470 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2197779353 UUAPQCPPCBQVQZ-AWEZNQCLSA-N 401.529 1.809 30 10 HDEE CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](CC#N)C(F)(F)F 2197779611 VFWSMXCVOQLONM-QWRGUYRKSA-N 413.418 1.323 30 10 HDEE C=CCC1(C(=O)N2C[C@@H](S(N)(=O)=O)CC2(C)C)CN(C(=O)OC(C)(C)C)C1 2239529270 LFLRQZJMLGPNQL-ZDUSSCGKSA-N 401.529 1.468 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2241812163 YCHPXPYWGWHUGB-DJJJIMSYSA-N 401.504 1.848 30 10 HDEE C[C@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243380743 DTMSGTDEZYCIPV-CQSZACIVSA-N 400.288 1.138 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2247929141 JKHCKFKWONLZJN-HNNXBMFYSA-N 413.331 1.365 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2248572796 VRMXPYWVVGQTJV-HUUCEWRRSA-N 423.294 1.912 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2250106797 GWFARFVDCHSYKN-UHFFFAOYSA-N 419.331 1.799 30 10 HDEE C#C[C@H](C1CCC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258160598 QXQFJMUWYFXXHN-DLBZAZTESA-N 408.476 1.430 30 10 HDEE C#C[C@H]1CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167055 DMTDOQITRRMJQU-USXIJHARSA-N 408.476 1.176 30 10 HDEE C#CC[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258183132 NWOQZWHLDFDGGS-IAGOWNOFSA-N 408.476 1.574 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@H]1CCSC1 2282329147 ILIQLNXHMFYEOJ-NEPJUHHUSA-N 401.363 1.139 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1N 2282336514 FGZWMRPMMNFKME-IMRBUKKESA-N 400.375 1.651 30 10 HDEE C[C@H]1COCCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504054 JEROKHWHMXHSQZ-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(C)CCCS2)n1 2282509843 QCSUIZXUWPYHHR-MRXNPFEDSA-N 401.363 1.283 30 10 HDEE CCc1nn(C)c(C(=O)N2CCC[C@@H]2C2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282574854 UXYJLHFHUUHNTH-CQSZACIVSA-N 405.304 1.259 30 10 HDEE CC(C)[C@@H](O)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282830284 RGEODNHHAKMVNE-ZDUSSCGKSA-N 404.363 1.221 30 10 HDEE CC[C@H](CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC 2282840428 NHENKTALUVSHAP-GFCCVEGCSA-N 404.363 1.629 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2O)OC1(C)C 2282870960 ZRWZRVBDQWVLHR-BWJFDKCMSA-N 421.286 1.062 30 10 HDEE CC[C@H]1CCNC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882491 MNCGQWWDDZIKGR-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284400893 ZBMNUYCOECMQMP-LBPRGKRZSA-N 401.677 1.487 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](C(=O)O)O3)cc2Cl)OC1(C)C 2284415207 MDDMBFPAHHVSLR-SECBINFHSA-N 423.705 1.480 30 10 HDEE CN(Cc1ccccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)C1CC2(C1)OCCO2 2295338407 WHRFRXFSNXAXGP-UHFFFAOYSA-N 423.340 1.653 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2COC(=O)C2)OC1(C)C 2296243406 LJMZINDXVKOYOM-SNVBAGLBSA-N 401.677 1.233 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)n1C 2300295883 FLELSIVXHYACCK-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE C=C(COCc1ccccc1)[C@@H](N)[C@@H](O)c1nc(Br)nn1CCOC 2328445681 RTXKZPRPUYAQOM-HUUCEWRRSA-N 411.300 1.821 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2365197077 SIMRVINNSYJHFT-GJZGRUSLSA-N 404.573 1.798 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2365208538 DBAHTHONQOSASG-CUYVQJCZSA-N 400.541 1.161 30 10 HDEE CN(C[C@@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)C(=O)OC(C)(C)C 2367784935 CHVMJFHCVFGRHZ-QGZVFWFLSA-N 403.497 1.684 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(COC)CCCN1C(=O)OC(C)(C)C 2367796350 PUJIFWAETMJGEP-DNVCBOLYSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NCC1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367804688 VVJLAHKKBXMXBA-HNNXBMFYSA-N 400.541 1.606 30 10 HDEE CN1/C(=C\C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)C(C)(C)c2ccccc21 105479926 FZEWYHYUAMXVGB-NVMNQCDNSA-N 421.457 1.554 30 10 HDEE Cn1c(=O)c2c([nH]/c(=N\N=Cc3cccs3)n2Cc2ccccc2F)n(C)c1=O 254745524 HTSOQKFRNJPOJF-UHFFFAOYSA-N 412.450 1.551 30 10 HDEE Cn1c(NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c(C#N)c(=O)n(C)c1=O 301914117 FMHLGWKNGOFEEQ-UHFFFAOYSA-N 408.506 1.100 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(N3CCOCC3)c2)CC1 432472917 HVPZWKAUQJWFHK-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@@H]2CC3CCC2CC3)CC1 433055718 BKIUJBSTENIASP-FAFZWHIHSA-N 416.547 1.559 30 10 HDEE Cn1cc(C#N)cc1C(=O)NC[C@@H](Cc1ccccc1)NC(=O)c1cc(C#N)cn1C 434098066 OTTHPCKBJPVNOX-LJQANCHMSA-N 414.469 1.878 30 10 HDEE CN1CCC(N2CCC(NC(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CC1 444919710 IQYAYMGWHOKFPO-UHFFFAOYSA-N 408.510 1.819 30 10 HDEE COc1cc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OCCO 462089214 GXEQOSDRKCADAM-UHFFFAOYSA-N 408.418 1.840 30 10 HDEE CCOCc1nc([C@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)no1 462301824 LNZFXRBMNWPYSS-ZDUSSCGKSA-N 402.459 1.113 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 462405899 GNNCZKCIVGZJTM-UHFFFAOYSA-N 415.471 1.388 30 10 HDEE CCOC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 473961975 FNGYHYFQWRZPGL-KRWDZBQOSA-N 408.524 1.635 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cc(C#N)ccn2)c1 477410930 AOTPZFGSLSUPRD-UHFFFAOYSA-N 415.475 1.292 30 10 HDEE Cc1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NCC#N 484608542 SYQSQKKJWNOIKN-MRXNPFEDSA-N 415.471 1.757 30 10 HDEE Cn1cc([C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(F)(F)F)cn1 487745133 WPHNGEVHFMIMIS-HNNXBMFYSA-N 400.382 1.626 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 492826388 DPSGHLWILQJUBZ-NNIGNNQHSA-N 411.458 1.479 30 10 HDEE CN(C)c1nccc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 503122168 YQXKQZFFABQQPZ-FQEVSTJZSA-N 402.499 1.453 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 503644810 UFUWSQFDEOAADI-MRXNPFEDSA-N 402.882 1.777 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)ccn2)CC1 511772225 FSSURCLNSWCCOR-NRFANRHFSA-N 404.518 1.684 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 513848810 NQJIBJJODFXYMM-AWEZNQCLSA-N 415.475 1.343 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN(c2ncccc2C#N)CC1 533223987 LSEZLKOVODCXFM-SFHVURJKSA-N 420.517 1.518 30 10 HDEE CS(=O)(=O)N1CC[C@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541100895 QEATZWOWOJPIQM-GFCCVEGCSA-N 422.898 1.800 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1-n1nnnc1C 544888728 OMNBSWXRWURPDH-UHFFFAOYSA-N 419.449 1.600 30 10 HDEE C=CCn1c(Cc2noc(Cn3ncc4ccccc43)n2)nnc1N1CCOCC1 546348169 JXSWVHMMQKIHSS-UHFFFAOYSA-N 406.450 1.673 30 10 HDEE COCC[C@](C)(C#N)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 561836353 DQGPNBJWSNYWQA-QGZVFWFLSA-N 410.268 2.000 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)ccc1F 581357927 STVBFZMFOFKVSU-INIZCTEOSA-N 410.405 1.432 30 10 HDEE N#Cc1cnc(NC[C@@H]2CCCCN2CCn2nc3c(cc2=O)CSCC3)cn1 585625028 HOKPRTWEIIXGPP-KRWDZBQOSA-N 411.535 1.661 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(Cc3cccc(F)c3)s2)CC1 605416270 AQEYPWHAOMTCQB-UHFFFAOYSA-N 418.498 1.720 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)NCc1cccc(C#N)c1 609451022 HUYLUBJLOOGELH-NRFANRHFSA-N 402.458 1.304 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(-n4cncn4)cc3)CC2)o1 611376746 XCGXVDGNXVZLPU-HNNXBMFYSA-N 420.477 1.435 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C(F)(F)F)CC1 611432646 DMCZYMUWQZBLRA-UKRRQHHQSA-N 402.442 1.720 30 10 HDEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670216083 ZCNSTQSRMROMBW-YLJYHZDGSA-N 409.538 1.905 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)CC1 672357159 ACWPIJPYKQBFJC-UHFFFAOYSA-N 405.568 1.334 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)s1 718808731 NFRBXNDEVZKRPP-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732651187 ZAYRKMKBSXFASB-OAHLLOKOSA-N 408.499 1.667 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CCN1C1CC1 732700364 RFQQYYJDZAABER-QZTJIDSGSA-N 418.519 1.843 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 734275088 HEQGXWOWEBIQDB-QGZVFWFLSA-N 423.558 1.263 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)c1 749157424 MPKZKABCUGAQCE-UHFFFAOYSA-N 404.444 1.606 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CCN1CCOCC1 751139140 ZBNLUQBWEJSWBM-UHFFFAOYSA-N 406.511 1.146 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O)C1CC1 753986779 BWBRSGFOLAJGMG-LHSJRXKWSA-N 411.462 1.992 30 10 HDEE C=C(C)[C@H](CC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)OCC 755867910 PWVGIQRFUDVVRH-NSHDSACASA-N 411.304 1.399 30 10 HDEE C#CCN(C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 757891951 YATFWNMVNQZEDQ-TZMCWYRMSA-N 406.430 1.472 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cccnc2I)CC1 770548905 IQSLXDGYAVDWMC-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE C#CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 774037388 XIDWVXXOZVIXMU-ULQDDVLXSA-N 405.520 1.954 30 10 HDEE C#CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 774255362 YGJJGYRHGRDGTN-APWZRJJASA-N 404.536 1.439 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 776138353 HYMMWLSGUBXWAU-GFCCVEGCSA-N 419.550 1.287 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 777319230 BNOSJLIJSSAFOG-UHFFFAOYSA-N 423.491 1.698 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CCN1C1CC1 779622664 OIMLNSGKRNSSEH-RBUKOAKNSA-N 402.520 1.293 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649407 OOZNXAGVRUCEEC-UHFFFAOYSA-N 414.531 1.368 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N(CCC#N)CCN2CCOCC2)C1 783593368 ZBJGRFFIXWEGHE-UHFFFAOYSA-N 410.515 1.087 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccnc2OCC(F)(F)F)cc1C#N 787277343 DSHMDTMCMNOMEH-UHFFFAOYSA-N 422.363 1.836 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 788680136 QCCSNQQYTSNUAF-DOTOQJQBSA-N 417.418 1.402 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790253556 IKVDHIBGOHZEQW-FQEVSTJZSA-N 406.483 1.533 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 790681798 FQNGEXBXOZVRRX-HXUWFJFHSA-N 417.849 1.743 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC)S/C1=N/CCc1ccccn1 794441794 RLCHFNXGGKWCDG-CWGLBDHTSA-N 405.568 1.791 30 10 HDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 795182752 GJAWTASNYFVHAZ-QQHMCNBOSA-N 417.579 1.791 30 10 HDEE C[C@H](CC(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 804369756 AXKBSECVADOLLB-JTNHKYCSSA-N 419.425 1.682 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@H]1CCN(O)C1=O 816691969 CVTCEFLTESSCAS-INIZCTEOSA-N 407.423 1.655 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)n1 856710964 XORRVKWVKHXUCZ-UXHICEINSA-N 406.483 1.790 30 10 HDEE Cc1c(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)cnn1CCC#N 1124621077 BWLSATUFEDGRGC-LJQANCHMSA-N 409.446 1.372 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1134760890 QNFBCIZKPXQULX-QGZVFWFLSA-N 411.389 1.945 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3nc4c(cc3C#N)C[C@@H](C)CC4)CC2=O)cn1 1135108485 LEDJIMWTGVJUFK-WMLDXEAASA-N 422.489 1.913 30 10 HDEE C=CCN(C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136358216 JOZOOUAGIRPAHB-KFWWJZLASA-N 404.529 1.052 30 10 HDEE CO[C@@H]1COCC[C@@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141569451 ITUMWTLQABCIPN-AUUYWEPGSA-N 415.469 1.956 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCCNc2ncccc2C#N)C1 1142386604 NAMDJXMGMIDJEE-HRAATJIYSA-N 415.494 1.755 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1142655720 UERXPFJAHFEAND-MRXNPFEDSA-N 416.507 1.234 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)C(F)(F)F)c(C)c2)nn1 1142658896 ICNTYUURUAWILY-UHFFFAOYSA-N 403.386 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)CC1 1142958632 OURUTNPFRFTESL-RBUKOAKNSA-N 405.539 1.695 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)cc(Br)c2F)CC1 1144027617 OVRQFABZHBIMEC-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1151212391 ICZOBOMYGAGOGL-CABCVRRESA-N 405.296 1.788 30 10 HDEE C[C@@](CO)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1163966752 FYTSSQSOFLDCIO-FQEVSTJZSA-N 401.488 1.529 30 10 HDEE CC[C@H]1CCCCN1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166615556 WRQIJKHDRDXWEF-HNNXBMFYSA-N 404.467 1.014 30 10 HDEE C#CCOCCC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1168202627 LMMBVGWQODQAQW-UHFFFAOYSA-N 409.527 1.781 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1170280148 BECYKKGMRLAVIR-HUUCEWRRSA-N 415.437 1.675 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](n2nncc2I)C1 1175733474 UDAUTHXTWIXPLY-TUAOUCFPSA-N 402.236 1.637 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cs1 1184273718 VIAHRIRFLRYIOP-UHFFFAOYSA-N 408.457 1.669 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190932708 XXGBDVWBRXEHBZ-OLZOCXBDSA-N 415.899 1.860 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1192317805 CSQUKCWJAQLVSB-MRVPVSSYSA-N 410.673 1.552 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)cc1 1211900239 RZBHAKJFQICKCV-UHFFFAOYSA-N 419.455 1.981 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)CC1 1222754041 OJHJQEJKBOYUDR-UHFFFAOYSA-N 409.483 1.041 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 1225939393 ZLULTPINZGXUDF-JYJNAYRXSA-N 420.514 1.335 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H]2C1 1251336655 GHMPOVJDPIULKV-SDSMMKDESA-N 406.483 1.632 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 1253176717 GNADCQMNTXHGJV-UHFFFAOYSA-N 411.256 1.841 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1C 1286299310 VAZOKOCOBXHNNH-OAHLLOKOSA-N 406.498 1.087 30 10 HDEE C#CCCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1286359857 LJBZLHUFLBATCO-NRFANRHFSA-N 403.527 1.696 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCN1CCCO 1286368118 VUKUBCDIUWYTPO-SFHVURJKSA-N 411.506 1.633 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286460453 NIZYONGZIAWXGL-KRWDZBQOSA-N 413.503 1.337 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CC1 1286473438 SKKGBTUBUPCKFS-UHFFFAOYSA-N 416.323 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](CCC)OC)CC1 1286489717 DJGZAVBIKFHHOG-SFHVURJKSA-N 413.526 1.460 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286641115 RSIHWMWCEFIERB-SFHVURJKSA-N 423.926 1.700 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCn1cncn1 1286774012 XGFBHUNYUHEDPL-SFHVURJKSA-N 411.466 1.721 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccccn2)CC1 1286783397 QTVRSYHDCUPQDN-UHFFFAOYSA-N 407.478 1.870 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC(C)(C)C1 1286786418 RMGUJKNMJITOLO-UHFFFAOYSA-N 423.477 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286821140 BHSCKQYLBUBXCX-QGZVFWFLSA-N 411.572 1.382 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1286824332 WUMAEGHMUUDUCB-CQSZACIVSA-N 408.572 1.783 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286834353 FWHBINIJGBVRIY-MRXNPFEDSA-N 424.596 1.682 30 10 HDEE Cc1cn(-c2ccccc2Cl)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435626 BSNPNMXEYLXIII-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1291306775 GMBYDPUQECZPIO-CVEARBPZSA-N 400.458 1.534 30 10 HDEE CCC[C@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1293833186 BPTQGSDELLPYSQ-LIRRHRJNSA-N 418.523 1.549 30 10 HDEE CCCN1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1294637066 BGEIJHFQWPCUHT-NVXWUHKLSA-N 423.587 1.360 30 10 HDEE CN1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C1 1298877452 FPCAJXHLUHRIEF-NHCUHLMSSA-N 424.509 1.122 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1300512940 OJSFDJJIUDYNQP-UHFFFAOYSA-N 413.283 1.296 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1csc([C@@H](C)OC)n1 1300545130 LJXJJZUZUHMLJG-OAHLLOKOSA-N 412.519 1.686 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)CC 1300545582 SIMVEJUNPMOFQZ-UHFFFAOYSA-N 409.515 1.858 30 10 HDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H](C)OC)CC1 1300699733 GRYKDIWZXFGBRZ-SFHVURJKSA-N 424.553 1.242 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ncnn2-c2ccccc2)CC1 1300710001 OHYWABOVERKIPR-UHFFFAOYSA-N 406.494 1.199 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@H]2CCOC2)CC1 1300711237 UICZXHCWHYCCGZ-RTBURBONSA-N 403.527 1.328 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cncn2)C1 1300997602 WXHURSGFETXKLU-KRWDZBQOSA-N 414.514 1.426 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301223195 PARPMRKQZUWNBL-SJORKVTESA-N 420.539 1.248 30 10 HDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1301333381 GLDLWCPFHNPTTH-HXUWFJFHSA-N 411.483 1.481 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1301478971 RYCDNBCQBJQULI-UHFFFAOYSA-N 403.556 1.791 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C)C1 1301587578 VQVAESNFZASJIT-ZDUSSCGKSA-N 411.553 1.460 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2ccnn2)C1 1302978456 CLCCLPBOPFYQDH-SFHVURJKSA-N 411.401 1.977 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OCC 1303112164 SAJYLURPNLHUQO-AEFFLSMTSA-N 424.519 1.772 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(F)(F)F 1304514404 ORNIDYGPXGSQAJ-DGCLKSJQSA-N 407.414 1.179 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1304905357 XULVHNPFUAVCBH-ZDUSSCGKSA-N 420.433 1.105 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1305248075 ALJWQOMQHKIUFE-KSFYIVLOSA-N 424.505 1.448 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)c4c(c3)OCO4)C2)c(=O)nc1O 1305588997 ACDADBGODOUVQS-UHFFFAOYSA-N 419.191 1.009 30 10 HDEE Cc1nc(C#N)cc(N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)n1 1307097645 BQFXRQRKELIVRB-MRXNPFEDSA-N 400.483 1.705 30 10 HDEE Cn1c(=O)[nH]c(NCc2ccn(-c3ccc(Br)cc3)n2)c(C#N)c1=O 1307208429 JBWFAOSLRNGROT-UHFFFAOYSA-N 401.224 1.506 30 10 HDEE N#CC1(C[C@H](O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CCOCC1 1307467149 YBMIYMJEHBQGQL-SFTDATJTSA-N 412.534 1.481 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)cc1 1309515939 YEOHPEUGAPGQGN-FQEVSTJZSA-N 413.455 1.210 30 10 HDEE C=C(Br)CNC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1311757156 MBPXVTFFTIDLEB-LBPRGKRZSA-N 404.305 1.917 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1312696610 APVGHMZKMAVORO-HXUWFJFHSA-N 412.534 1.401 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1313042814 NWBGIGXCOWEHHL-CQSZACIVSA-N 400.357 1.593 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 1323381551 XUXVFUYRNLWRRC-UHFFFAOYSA-N 414.468 1.786 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3CC(F)F)C2=O)cc1 1324375636 QOYSXOCESSCUCU-HUUCEWRRSA-N 406.389 1.646 30 10 HDEE CCCn1c(N)c(N(CCOC)C(=O)Cc2c(C)cc(C#N)cc2C)c(O)nc1=O 1352745818 AVCOJMWPQBAWOP-UHFFFAOYSA-N 413.478 1.652 30 10 HDEE C#CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358916905 AIANNMGPUPHLCS-FXAWDEMLSA-N 424.567 1.746 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)CCOC 1358927421 YDDYBWIRPURQGY-UHFFFAOYSA-N 404.474 1.691 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358950986 DVNVEDBHRPDUHF-MRXNPFEDSA-N 408.428 1.596 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1COCCO1 1359019830 IDDJELDSJBFNCN-AWEZNQCLSA-N 424.299 1.537 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCO1 1359027009 SFLNJGGCUJZFDL-OAHLLOKOSA-N 403.508 1.535 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1359049328 MTCWJDNIDMMLMU-GVRJEKJASA-N 409.581 1.489 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359115445 ZEVUZJUNASNRDU-GOSISDBHSA-N 410.565 1.882 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1359233904 VFWRREKDLNKOKG-UHFFFAOYSA-N 401.496 1.640 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCCO1 1359302607 NFMJRBJWPHPMTC-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](COC)C1 1359331045 LOPWRJNWPSWFAY-MRXNPFEDSA-N 405.524 1.722 30 10 HDEE CC(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1359460884 FFELZZLJZIDSMN-GOSISDBHSA-N 407.478 1.536 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nncn2C)c1 1361035638 IAJYVFLPXUNVPC-QGZVFWFLSA-N 408.466 1.380 30 10 HDEE COc1cccc(Oc2ncccc2CNC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1444544391 BNJDYNJXAKGPBB-UHFFFAOYSA-N 407.386 1.333 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1450176270 XZFRKHGRIORLBB-UHFFFAOYSA-N 416.496 1.456 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)cc1 1454264233 KLSREZQSGDFJLT-LJQANCHMSA-N 417.506 1.947 30 10 HDEE C[C@@H](CC(=O)N1CC(Nc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1454551219 GEYXJLUYNRUSHO-ZDUSSCGKSA-N 416.478 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1 1457668027 CIYWNDXEQFEJQQ-IRXDYDNUSA-N 406.527 1.754 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccccc1N1CCCC1=O 1457953453 SAHGWVXLGHXNLJ-INIZCTEOSA-N 404.474 1.755 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@H]3C(=O)NCC34CCOCC4)c2C#N)C1 1460853362 VEGBTPCSZULCTR-UGSOOPFHSA-N 416.547 1.958 30 10 HDEE C#CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1462843459 WUVGWYPLOAIJAK-UHFFFAOYSA-N 410.467 1.149 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1466297647 LZCOQFNORRVSDO-UHFFFAOYSA-N 410.496 1.037 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCc2ccccc2NC1=O 1470667653 BBNHAWMEPXJRSB-YOEHRIQHSA-N 405.462 1.522 30 10 HDEE CC(C)c1cccc(-n2cc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)c1 1472036843 ZZSYXVZVBFLOHR-YWZLYKJASA-N 414.487 1.712 30 10 HDEE N#C[C@]12CN(C(=O)c3n[nH]c4ccc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1472191875 MSABVGKDWUKZFG-BJOHPYRUSA-N 409.265 1.336 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC 1472228538 QZKPDYKDABPRDI-ZIAGYGMSSA-N 418.512 1.035 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1472290559 QAVRVTSPOUVWCT-GOSISDBHSA-N 417.531 1.314 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)[C@@H]1CCCO1 1475217794 ZQWQGSFNOYEVMA-CVEARBPZSA-N 418.437 1.757 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1479060378 AXGXJKKEVYXGGG-HNNXBMFYSA-N 419.507 1.007 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1492478278 HUHYMCGKJNDIAN-GOSISDBHSA-N 421.505 1.708 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1499324587 ZLESXYGQXTVYAT-INIZCTEOSA-N 411.491 1.862 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCSC2)c1 1505316373 BPSTVRCDESNQAF-GOSISDBHSA-N 403.533 1.253 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507593497 QKKBPKHGLDMKLJ-UHFFFAOYSA-N 418.505 1.407 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1507617544 VSLUETGFKBZPEV-CYBMUJFWSA-N 411.578 1.889 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1507627055 CFRPNZREVYLGBZ-SFHVURJKSA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634636 OHELWUFVAQURSI-WMZOPIPTSA-N 407.584 1.586 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1507680698 KUNZCPBWMXESQO-HXUWFJFHSA-N 420.535 1.596 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1507689355 KABCOWISLPWWCR-KRWDZBQOSA-N 421.567 1.432 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507843889 XJNQGNKXHSQRAN-UHFFFAOYSA-N 418.542 1.713 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1507914756 OHBOAPYLHKCKPC-FZKQIMNGSA-N 412.560 1.192 30 10 HDEE C=CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1508067100 JUEFQWAVGSNYAW-NRFANRHFSA-N 409.494 1.709 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)OC(C)(C)C1 1508097402 PMJULHBBGQVBNY-ZOBUZTSGSA-N 407.515 1.308 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1508153479 ZUFRBMZXNUAEAN-GOSISDBHSA-N 400.552 1.854 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O 1515743049 HLZUZTWAMXRQAV-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1538385484 QQLSCHXJHVTNSR-CYBMUJFWSA-N 421.397 1.492 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H]2CC[C@H]1C2 1538765244 HXHZQDQGFKRGQA-HQNIOCCESA-N 408.520 1.531 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539176324 LUVOMZGDILXTIV-MRXNPFEDSA-N 403.508 1.198 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCN(C)C1 1539250414 NCDLPAOFINKDMS-HXUWFJFHSA-N 401.873 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO2)CC1 1539430965 PYZXGIJXLXHMBX-RXVVDRJESA-N 403.527 1.253 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539446734 HXTHDCTVRUJBQV-QGZVFWFLSA-N 405.568 1.516 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1540020141 HAWMJUXWTBUXAB-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1540069121 JDHZFVBFGZNIAY-AWEZNQCLSA-N 422.449 1.204 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540866961 GOFWNBHAIANMRH-GOSISDBHSA-N 424.505 1.075 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540870269 IXHCTOGDSOOMSX-SFHVURJKSA-N 413.526 1.567 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1544555613 WUSPDWZTALDMHZ-QGZVFWFLSA-N 405.506 1.746 30 10 HDEE CN(C)C(=O)NCCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1545820976 ORWOEVRWNXGXBM-CHWWFWEZSA-N 407.515 1.503 30 10 HDEE C#CCN(CC(=O)N(CCO)Cc1ccc(OC)cc1OC)C(=O)OC(C)(C)C 1546336554 KMYSRZIGRUMRFV-UHFFFAOYSA-N 406.479 1.895 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 1547785113 KPKWWQHPQHMRQO-KRWDZBQOSA-N 418.523 1.967 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCOCC(F)F)cc1 1555988963 UXXWYPAPTWHWJJ-FQEVSTJZSA-N 416.432 1.957 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1556782531 KIZCPZDLQOTJFE-GFCCVEGCSA-N 405.270 1.353 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)CC1 1558073760 YWQAJZXIEPLSAG-MRXNPFEDSA-N 405.520 1.241 30 10 HDEE Cc1ccc(C(=O)Nc2ccnn2C2CCOCC2)cc1S(=O)(=O)NCC#N 1558724328 DMUNWHLZGNTWEU-UHFFFAOYSA-N 403.464 1.597 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCS(=O)(=O)CC1 1583069343 XAOSYEWNFXFXSL-KRWDZBQOSA-N 418.515 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1587567646 IGFGZORJGHLKSM-KNXBSLHKSA-N 415.538 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1587567965 LTWNCGLATZBKJO-LAUBAEHRSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1nc(C)no1 1587985318 YOOXIFJEXFBTBM-UHFFFAOYSA-N 421.509 1.846 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cc1 1588018490 WPDGXMYHAWOZPD-WOJBJXKFSA-N 419.547 1.872 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 1588139520 OIIBSMLLNLDKLU-QZTJIDSGSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1588228670 JPIPYSUPXOIFRB-IRXDYDNUSA-N 403.552 1.126 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)NC 1588550386 PGHDJZKJCPCEPF-MRXNPFEDSA-N 421.498 1.110 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC)CC1 1588732594 DANXDXHZLHYYCJ-UHFFFAOYSA-N 410.522 1.619 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1593624879 CKSIEMYYUBLKCP-HKUYNNGSSA-N 423.521 1.154 30 10 HDEE C=C(Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1593796091 HCBGQXGYQOGKQC-UHFFFAOYSA-N 408.506 1.481 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(NS(C)(=O)=O)CC1 1593818418 SCRYWWIZUFNMOK-CYBMUJFWSA-N 421.951 1.273 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1594628013 YPASCBWTSBFWFT-GJZGRUSLSA-N 409.512 1.177 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594744463 QXMOZULUGUJIRR-IBGZPJMESA-N 423.521 1.997 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCN(C)C1 1595303681 XYIIZIBYBXCZEV-LJQANCHMSA-N 406.556 1.339 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)CC(F)(F)F)C1 1595713436 AAFWGPYYTHBSJK-OAHLLOKOSA-N 413.448 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595789152 NZTFMLBQBBPFFO-KRWDZBQOSA-N 409.556 1.057 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC 1598167708 FYLBEXRHUVGVMO-BZSNNMDCSA-N 404.463 1.942 30 10 HDEE CC(C)(C)OC(=O)CC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1 1616345411 ACYWZQMODHYHBK-MSUUIHNZSA-N 407.467 1.158 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)c2C#N)C1 1618705438 FKZVHRZYOAJIQK-AWEZNQCLSA-N 407.517 1.678 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCCCO)cc1 1620351707 DXQZFQXULVGUQS-QGZVFWFLSA-N 412.494 1.593 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)CCO1 1620354871 DJIKHIYVZYSNSC-AWEZNQCLSA-N 408.384 1.118 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@@H]2CCOC2)CCO1 1620356044 QXMMGOPISISGLJ-RCCFBDPRSA-N 405.499 1.692 30 10 HDEE CC(C)N(C)c1ccc(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1F 1620635784 ZCDXWWBFVUNIHO-MGPUTAFESA-N 422.526 1.869 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1623127937 VYSXJVKRNVAMPN-LJQANCHMSA-N 413.474 1.968 30 10 HDEE C=CC1(CC(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1625081813 QKJHTMIXFJWNAK-OFJJUDJNSA-N 422.551 1.865 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCOCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1628149543 YIMATCQJDGZAOS-QFIPXVFZSA-N 423.554 1.587 30 10 HDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1630584152 LTBCGWJWXYPCQU-NWDGAFQWSA-N 409.372 1.137 30 10 HDEE COC(=O)[C@H](O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1632297762 JGCCTQYHBRCHCD-GOSISDBHSA-N 417.311 1.680 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632875842 XXIZBXUDSWCDAD-SFHVURJKSA-N 417.462 1.552 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccc(F)cc2)cc1 1634486230 JMCIPSHFNYMOKB-FQEVSTJZSA-N 404.463 1.461 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)c1 1634549893 CGGUPKPQYSCWSS-IBGZPJMESA-N 401.488 1.643 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 1634554926 MALUUHZEBMELIA-CQSZACIVSA-N 418.291 1.649 30 10 HDEE CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CC(=O)N(C)C1=O 1634910833 ASIGGKVMCPTJQG-AWEZNQCLSA-N 408.252 1.695 30 10 HDEE CCC[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1635267152 CUCFAHDGZATKBW-CQSZACIVSA-N 409.508 1.601 30 10 HDEE COC(=O)[C@@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1638436839 FXYPUMQMFNSMBQ-FEDUSRTKSA-N 423.535 1.890 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)cc1 1638596342 MAZYEDCVANVYGX-RHSMWYFYSA-N 421.519 1.583 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1 1639131085 XTDKOGYIHIEFLJ-MSOLQXFVSA-N 408.543 1.655 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)C1=O 1639594996 YEDZTLWQSJEYKY-ROUUACIJSA-N 403.479 1.563 30 10 HDEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@@H](C#N)CO 1640691367 LQKGZQIAOZJZJF-AWEZNQCLSA-N 401.444 1.061 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)cc1 1644034342 SRXZDNIAONDERW-INIZCTEOSA-N 419.425 1.434 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)CC1 1644429710 ZOZKNWWRJJGUTR-GOSISDBHSA-N 404.532 1.680 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)C1=NN(c3ccc(F)cc3)[C@H](C(N)=O)C1)C2 1648293711 QWLGFJXWTAIETL-HNNXBMFYSA-N 412.450 1.346 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1662443530 ABRQIYFELXOZSP-JTQLQIEISA-N 404.673 1.773 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 1671495145 LZIQGIPUPQEPSI-UONOGXRCSA-N 414.528 1.260 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1S(C)(=O)=O 1675916936 HKGFOPNXPWHWKZ-GOSISDBHSA-N 401.488 1.879 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccc(F)cc2)C(C)C)CC1 1678048457 QSLAAURJVKGEEH-GOSISDBHSA-N 410.515 1.188 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1681515006 FAAXBNQNCQWICQ-CHWSQXEVSA-N 420.338 1.911 30 10 HDEE N#Cc1csc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)n1 1681923000 QFLMSLSFKREQRQ-UHFFFAOYSA-N 417.875 1.585 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1682849373 NGIGFHINTJPJRF-ROUUACIJSA-N 405.520 1.101 30 10 HDEE COc1ccccc1-c1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)on1 1684340162 XAJPQAULVJIMOR-DJJJIMSYSA-N 416.459 1.430 30 10 HDEE CCO[C@H](C)c1noc(CN2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)n1 1685656785 CUVXRVZTAPCNIL-OAHLLOKOSA-N 406.487 1.315 30 10 HDEE C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)NCC#CCN(C)C)CC1 1685772090 CTDMROSQOYIASR-HNNXBMFYSA-N 402.524 1.751 30 10 HDEE CCc1ccccc1[C@H](CNC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C 1686402996 MPCPBONOBLVVGZ-INIZCTEOSA-N 403.483 1.754 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1687806221 AKQDVLANUMTJRZ-RBUKOAKNSA-N 406.552 1.187 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1689835561 OTEJQTFZLWKCKJ-AWEZNQCLSA-N 415.519 1.333 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCCC1(C)C 1689999968 ODZSBWGSXCPLCS-JOCHJYFZSA-N 406.490 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1690045573 NIBPPZTYYSUFGP-IBGZPJMESA-N 419.485 1.786 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690077480 PNQZYQWCYSSIAV-GJZGRUSLSA-N 401.433 1.505 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2nncn2-c2ccccc2)CC1 1690110239 DHSVXYJYWRCOQU-UHFFFAOYSA-N 404.522 1.960 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1690135607 ZPDGKUPNORXAAV-OZIGNCPNSA-N 419.570 1.554 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690232142 AFKKINKQDTUKQN-AWEZNQCLSA-N 422.331 1.715 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](COC)C1 1690360951 CHWOIPNWJJWFDQ-VGWMRTNUSA-N 400.907 1.995 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690464690 IMQSLQFJWZILRQ-HNAYVOBHSA-N 423.539 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CCN1CCOCC1 1690720440 JILQRHQVERHVMR-UHFFFAOYSA-N 419.551 1.314 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1692704975 ORAWAJYAOCFJHC-MRXNPFEDSA-N 418.509 1.278 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CC#N 1696496753 KNYBPAKRRLIAGV-HNNXBMFYSA-N 405.528 1.716 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1705616576 CGCUMKSKNUJJBI-UHFFFAOYSA-N 416.526 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2Cc2nncn2CC)CC1 1705636049 WFSJCZVQPOSZNO-UHFFFAOYSA-N 404.522 1.922 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705902280 ASGDPEMYFZSXQI-QZTJIDSGSA-N 403.527 1.727 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nncn2C)C1 1705928651 GZLIEQRLEJQYSD-KRWDZBQOSA-N 413.457 1.954 30 10 HDEE CCn1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1710189252 FVHZIDLDEANKKE-PXNSSMCTSA-N 415.498 1.312 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCOC1 1711026076 DIOAQLUKHFZCEG-QGZVFWFLSA-N 403.446 1.584 30 10 HDEE COC(OC)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1711581596 GQCCNLBRUKMCLN-GOSISDBHSA-N 423.477 1.747 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCOC1 1712637219 LMMXNNTVMSEQBN-ABSDTBQOSA-N 405.499 1.284 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1722279596 UCRZLPPVMCOVAY-XQQFMLRXSA-N 403.599 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1722376898 HLMWVWPPZHSKRP-JOCHJYFZSA-N 407.474 1.513 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722538773 VYDFDRXPDVTACL-WOJBJXKFSA-N 418.586 1.939 30 10 HDEE C=C(C)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722553544 RVYFSXDCTNLPKZ-OAQYLSRUSA-N 421.542 1.626 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722628378 BETTYEYLSYYTHU-ROUUACIJSA-N 413.526 1.447 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722683015 XXDIOLSKBXUKGX-GJZGRUSLSA-N 413.544 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722696926 UXRIXKRLRUCQLT-JOCHJYFZSA-N 424.480 1.823 30 10 HDEE CC(C)C#CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1725832619 JDZSVTQFKFVLGS-WJJPVSRMSA-N 402.535 1.973 30 10 HDEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1729606417 HTLNFXRUMNARMT-OAHLLOKOSA-N 418.383 1.761 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616641 DSCFLDCEGBBLPZ-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)N2CCOCC2)CC1 1740693643 GGWOURWLGXUIDA-UHFFFAOYSA-N 408.550 1.811 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740784231 OXKQMIIECSCLLR-LJQANCHMSA-N 409.538 1.583 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740810675 FFVKRMFIOAKLDY-QLFBSQMISA-N 400.932 1.796 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740861911 DLBSMDSHCQKWCG-MRXNPFEDSA-N 424.571 1.446 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740946241 CLUKCWMMIOFCRK-LJQANCHMSA-N 405.506 1.999 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1741002274 KJQKHNQKXJFWQX-OAHLLOKOSA-N 401.602 1.868 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1741080742 FCXAXWHGJSJMPI-KRWDZBQOSA-N 410.478 1.359 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741992811 CRLNNKKOBORDBS-HZPDHXFCSA-N 407.478 1.043 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1744867656 NYAQKHGSSYGFLB-QRVBRYPASA-N 420.558 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1748640940 YWRKOVAQTGFEED-KBPBESRZSA-N 415.523 1.465 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1748799527 IYYTZKLMQRNGMS-OAHLLOKOSA-N 406.483 1.890 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1748812397 VANQAEAMSFTVNA-QGZVFWFLSA-N 420.539 1.122 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749275535 FWHKWPTVQGOUMB-QGZVFWFLSA-N 422.961 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1749658209 HXUIEQYZVNWGSJ-RBUKOAKNSA-N 406.490 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1749670404 SQVSDZIPKCIAOI-WOJBJXKFSA-N 424.549 1.795 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1751003420 DKEWIUUIVKDEOT-KRWDZBQOSA-N 418.523 1.370 30 10 HDEE C=C1CCC(C(=O)NCCCN2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1758569063 SURDTFCRNZLRHX-TXVWBRJLSA-N 401.551 1.807 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCO)c(OC)c1 1760200918 XGOGNEXUUCZXEB-UHFFFAOYSA-N 420.473 1.179 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1760238683 GISOUXSYEOVDJZ-IYBDPMFKSA-N 418.542 1.987 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(C)=O 1760241268 UVUQXVGJHWGHTK-SFHVURJKSA-N 412.469 1.534 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760325230 PWFKSMHZUAOUIC-LAUBAEHRSA-N 422.489 1.646 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1760329359 AMOQCCZXLIMLBI-AWEZNQCLSA-N 409.560 1.689 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CC(C)C)C1 1760557319 HPETUOLQGHBLQF-KRWDZBQOSA-N 423.583 1.874 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCOCC1 1763099344 VSYAWWIFMMEXCM-UHFFFAOYSA-N 424.553 1.546 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1768013002 HOYIVWCXPVDJIB-CQSZACIVSA-N 405.462 1.508 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2F)nnc1N1CCOCC1 1771564944 ZSPQBGOVMNELJX-ZPHPHTNESA-N 412.425 1.447 30 10 HDEE CS(=O)(=O)Nc1ccc(CC(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1849280981 MMFIVHWSGDASSE-UHFFFAOYSA-N 404.536 1.827 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)COc3ccc(-n4cnnn4)cc3)CC2)n1 1849830186 VGHVVDRHACUYDH-UHFFFAOYSA-N 419.445 1.625 30 10 HDEE C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851793602 QLQHADKAVNUWEY-SJCJKPOMSA-N 416.384 1.642 30 10 HDEE Cc1c(C#N)cncc1NC(=O)[C@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852474367 IITVEZHNKGYTKR-JKSUJKDBSA-N 413.478 1.916 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@H]1Cc2cccc(Br)c2O1 1853197051 RQAAJHXNXOMRIZ-LLVKDONJSA-N 420.219 1.438 30 10 HDEE C=CCNC(=S)NCCOC(=O)c1cc(-c2ccc3c(c2)OCCO3)nn1C 1853241764 QKGITNLRNSSOQP-UHFFFAOYSA-N 402.476 1.665 30 10 HDEE Cc1nc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c(C#N)c(C)c1Br 1853340455 YCNUZKAHAPKXCO-SNVBAGLBSA-N 401.286 1.096 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C(=O)C2)C1 1853660543 XMDDGUUAYOUPNV-HNNXBMFYSA-N 403.479 1.257 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)C1=O 1854179232 NWMFHLWZBINBOC-OALUTQOASA-N 401.482 1.913 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2cn(C)c3ccccc23)C1=O)[C@@H]1CCN(C)C1=O 1854282271 FENDMZNQQHRJCC-UXHICEINSA-N 408.502 1.567 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1854751052 FZPCJEXFTCVPQH-MAUKXSAKSA-N 423.510 1.614 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)C1 1855868342 ZCNICNFSKXGWTG-IRXDYDNUSA-N 404.511 1.854 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](F)CC(F)(F)F 1855977849 AUIGJVAIDTXOOV-GFCCVEGCSA-N 421.372 1.927 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C(=O)C1 1856411941 MGBBBMMDJGQXAT-KBPBESRZSA-N 414.453 1.994 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 1856624809 AYPJWMUGGAYRNB-HKUYNNGSSA-N 417.531 1.835 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc21 1856686727 GUVPLTPAPFBCFT-YOEHRIQHSA-N 404.492 1.482 30 10 HDEE N#Cc1ccc(OCCN2CC(=O)N(C(=O)[C@H]3COCCO3)c3ccccc32)cc1 1856750526 ZXABOQPIWYWBIR-HXUWFJFHSA-N 407.426 1.732 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(Br)ccn3)C(=O)C2)C1 1856872039 JZCDXPKBNQJARO-HNNXBMFYSA-N 407.312 1.779 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)Cc2cccnc2Cl)c2ccccc21 1856889152 SQCXGOZGAYPOAT-UHFFFAOYSA-N 418.862 1.901 30 10 HDEE Cc1cc(C)n(C[C@@H](C)C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)n1 1857150710 LQWGKIGBROPAQL-APWZRJJASA-N 400.527 1.185 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1 1859009511 SEDXRNZBKZMOBB-UHFFFAOYSA-N 416.455 1.716 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1861298447 FZZKLBIBMQYSQA-WMZOPIPTSA-N 415.877 1.428 30 10 HDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870515018 LSMHPANUQCUDBO-UHFFFAOYSA-N 418.538 1.369 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1872597117 IFPTWYBDNJKXJN-IBGZPJMESA-N 401.488 1.837 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)nn2)cc1 1891555231 QILFUOFLZYYFQD-KRWDZBQOSA-N 419.445 1.680 30 10 HDEE N#Cc1cccnc1OC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1891714392 YLEWCIIUCRQURH-MRXNPFEDSA-N 418.519 1.527 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)CS2 1891999408 NTERAXRUYDOYMQ-KBPBESRZSA-N 412.475 1.005 30 10 HDEE NCC#Cc1cccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2089789257 UYVUXTVSRDWBNY-UHFFFAOYSA-N 411.483 1.815 30 10 HDEE CN(Cc1ccc(C#CCN)s1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161951597 PSKAATGIBZIWQV-UHFFFAOYSA-N 405.545 1.636 30 10 HDEE COC(=O)NS(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186600584 UQYJZOGSXLEMFF-SECBINFHSA-N 405.307 1.036 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H](CN)c2sccc2S(C)(=O)=O)[C@@H](C#N)C1 2194942256 UPYQLRXYJDGJCN-QWHCGFSZSA-N 414.553 1.596 30 10 HDEE COC(=O)CS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1C 2202935801 ASHVNOWAUNVNNJ-UHFFFAOYSA-N 403.693 1.862 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2247858333 MXDIRKXSKCCAGT-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2255941629 ISXQYMSOTGOOSA-GFCCVEGCSA-N 415.342 1.431 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@H](CC#N)C1)NC(=O)OCc1ccccc1 2258154083 BGYIQOIJRQKDGD-GOEBONIOSA-N 409.464 1.020 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258155739 YDJDDOOVUCBDNW-IAGOWNOFSA-N 408.476 1.272 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258177770 PLIHOEMRIHPDJZ-MAUKXSAKSA-N 409.464 1.321 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371813 FZGUJQJUEWZJPY-YDGUKXNOSA-N 407.388 1.435 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270533847 LBCDSCSYNDMOAF-MSOLQXFVSA-N 422.503 1.868 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NCC2(S(C)(=O)=O)CCC2)OC1(C)C 2281802058 WWIHTRRDOQCJJM-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE CC(C)(CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2282198194 YEJTWWHJPCWICS-UHFFFAOYSA-N 401.359 1.848 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282330215 WRHLHYPGPPFFTB-UOXLDJKESA-N 402.347 1.120 30 10 HDEE C[C@@H]1C[C@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331889 SWFDPZIDHPQZGA-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE COC(=O)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282334448 BJCXWNCDHCGWGT-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346822 QSBPNBYLGNDYJZ-CQSZACIVSA-N 400.375 1.762 30 10 HDEE C=C(CS(=O)(=O)N1CCC[C@@]12CCS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282488406 ASUXOCJZLLOSJL-INIZCTEOSA-N 405.347 1.157 30 10 HDEE CCOCC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282500265 WSICGMUCQASSOY-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCCO)C2CC2)OC1(C)C 2282505332 BRSHLNREJHOCOE-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](CO)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282840077 DEIOAOAMGIVFPZ-ZDUSSCGKSA-N 403.375 1.899 30 10 HDEE C[C@@H](CC1CNC1)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282841517 VTOYVYPFDXBBLJ-JTQLQIEISA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](CF)C(F)(F)F)OC1(C)C 2282843266 KVEPBXFZIGWCHR-SECBINFHSA-N 418.243 1.762 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCCNC1 2282843737 RMNYHFLJXBIFTK-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283073225 ZLMBZUJTRULJHR-ZIAGYGMSSA-N 403.288 1.389 30 10 HDEE CO[C@@H](C)[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284388806 FYOUQTLFCGKWFD-KWQFWETISA-N 403.693 1.919 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)O2)sc1B1OC(C)(C)C(C)(C)O1 2284414512 HZLYYBXFYHOLDU-JTQLQIEISA-N 403.287 1.135 30 10 HDEE CCC1(C(=O)O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284416353 WZMZWUOEAJWBPD-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CCOC(=O)[C@H](C)N1C(=O)C(=NNC(N)=S)c2cc(C(=O)c3ccccc3)ccc21 2295064348 ZSVYVRAGSQELOW-LBPRGKRZSA-N 424.482 1.753 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](O)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2333239534 RECKMAHULSZFNQ-FZASTXCSSA-N 418.486 1.099 30 10 HDEE CN[C@H](C#CC1(SC)CC1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2336214677 KNNAMWYGZGXAOW-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCSCCO)c1B1OC(C)(C)C(C)(C)O1 2360814037 GCFGKJQNFSSOEV-UHFFFAOYSA-N 421.415 1.668 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2365210702 JFQNIJFHXOQDIC-HOTGVXAUSA-N 402.557 1.675 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367798350 QHDASJZWDGLSAB-BZUAXINKSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806460 KSBHXKPTOHVCCP-SPYBWZPUSA-N 400.541 1.483 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CNC(=O)OC(C)(C)C)C1CC1 2367822323 DWKCHUZJWBNQKY-DNVCBOLYSA-N 400.541 1.211 30 10 HDEE CC1(C)C[C@H](S(C)(=O)=O)CN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368850019 WJAGTDGRQHWZCV-LBPRGKRZSA-N 400.375 1.840 30 10 HDEE C=CC1(NC2(C(=O)O)C[C@H](C)S(=O)(=O)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2380748356 DEXAXRZLFXXENN-STQMWFEESA-N 402.513 1.561 30 10 HDEE CCN(C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@H]1CCS(=O)(=O)C1 7672358 IASSTOSFSHZQTI-AWEZNQCLSA-N 419.459 1.443 30 10 HDEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)Nc3nnc[nH]3)n2)cc1OC 21039109 ZLCOEYRTZYYVJN-UBKPWBPPSA-N 403.428 1.117 30 10 HDEE C=CCNC(=O)N1CCO[C@@H](CN2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 34692122 PXCMNIVETIYFHW-IBGZPJMESA-N 404.486 1.570 30 10 HDEE CCOc1ccc(C(=O)NCC(=O)N2CCN(c3nnc(C)c(C)c3C#N)CC2)cc1 58161677 JWNUYAHTGCGIOX-UHFFFAOYSA-N 422.489 1.442 30 10 HDEE COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 107611529 HTCXQCIJOXAREX-UHFFFAOYSA-N 411.462 1.664 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1 110391443 WWHFSOWDURXKKY-IBGZPJMESA-N 409.471 1.361 30 10 HDEE CC(C)(C)OC(=O)N(c1nccc(C#N)c1B1OC(C)(C)C(C)(C)O1)C1CNC1 382048266 LQODNKHCFZFGBP-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461302541 TVSFVJBJAMUKMU-AWEZNQCLSA-N 408.509 1.138 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462093697 UWBBOWAVMLXIST-SFHVURJKSA-N 403.446 1.960 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(C(=O)CC#N)CC1 503642368 IBONYUUNVIEDEV-INIZCTEOSA-N 418.519 1.131 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)C1 517132917 CASRDDZNRQFVGF-JOCHJYFZSA-N 414.550 1.874 30 10 HDEE CCN(C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1)S(C)(=O)=O 519512846 PJPPFQAOSFLUFK-UHFFFAOYSA-N 405.929 1.646 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 520371321 OMQDLICAISOBCF-KRWDZBQOSA-N 405.520 1.626 30 10 HDEE CN(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1 549886976 ABPWEYWUNJSHSX-SFHVURJKSA-N 409.494 1.799 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 568772931 BVVXURKBQNMJBW-KBPBESRZSA-N 413.544 1.632 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1Cl 577251330 GQLKHSXSBMGNHB-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585227030 IMSMQDWVXCSTFL-UHFFFAOYSA-N 423.433 1.536 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)nc1 585246521 WTYACRQCBQBBON-UHFFFAOYSA-N 412.471 1.641 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(N2CCCC2)n1 585477811 VQWAXRZDOPVVKA-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N[C@@H](C)CC)nc1C 586304281 NUJWBNNGUMAIQO-ZHZWEUQESA-N 401.510 1.396 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nccn2CC(F)(F)F)c1 590049968 PDXCAPWMZAUNQG-UHFFFAOYSA-N 402.398 1.840 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 612118987 XHGAMWZTCSRAGT-IBGZPJMESA-N 419.489 1.812 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669804568 JTKHIQJEFATLPE-YLJYHZDGSA-N 409.538 1.905 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669817761 CRRRRNGOWWUKGS-HZPDHXFCSA-N 407.544 1.729 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 685547099 UYPYGVXKQCCRKE-HNNXBMFYSA-N 423.564 1.811 30 10 HDEE Cc1ccc(C#CCCO)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703968613 GAZRBSCEQZWWDO-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CC(C)C 727414799 BYUZMYIWRMTGQT-UHFFFAOYSA-N 403.504 1.205 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 732465736 HWTOLGLBMWGVDE-HQMFNGAOSA-N 416.453 1.807 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CCN1C1CC1 732670013 KLKSDLVSXONXEG-CYBMUJFWSA-N 415.269 1.718 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](n2ccnc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742633764 HSVFVEVYFNEESU-CABCVRRESA-N 401.492 1.564 30 10 HDEE Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746200735 CAYOWDJEGNFAON-UDJKBAMHSA-N 414.487 1.752 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758076329 SATHFVUJQFAWOD-UHFFFAOYSA-N 423.450 1.332 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)CCCCC1 760407291 DZXWYLOEZZFVAK-KRWDZBQOSA-N 403.504 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760771715 FXPYHQCECNSAIX-FQEVSTJZSA-N 403.458 1.951 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccnc2C(N)=O)cc1 763245343 YTLDAQUKKMWUAN-JCMHNJIXSA-N 401.448 1.246 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccn(C)c2)c1=O 763437220 MWSNDAFRJPUNRL-UHFFFAOYSA-N 418.522 1.671 30 10 HDEE N#C[C@H]1CN(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CCN1C1CC1 765912223 RJONQRBKJYUHDW-FQEVSTJZSA-N 416.957 1.844 30 10 HDEE CN1CCO[C@H]([C@@H](NCCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc2)C1 768227159 FKJYYIYSXPWEJN-KECLDWJTSA-N 404.898 1.828 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 771757656 YNSODCVEMLZBJE-UHFFFAOYSA-N 419.455 1.981 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774169475 BQVPQQGMVYFWSL-CQSZACIVSA-N 404.410 1.960 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCCn2ccnn2)C1=O 784124625 JUNRMHJTEKHTKA-CQSZACIVSA-N 408.434 1.714 30 10 HDEE CC(C)Oc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1C(N)=O 788843602 VZTPAAIJYOETBS-UHFFFAOYSA-N 416.459 1.250 30 10 HDEE C=CC[C@]1(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790655707 MMGLTRXTWYSBQH-HRAATJIYSA-N 417.510 1.987 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CCCN1C(=O)OC(C)(C)C 790738705 KISPDWJZKPQPRH-BTYIYWSLSA-N 420.510 1.827 30 10 HDEE C#CCN(C(=O)CN1CCOCC1=O)[C@H]1CCOc2ccc(Br)cc21 790912911 XRCPQQPZVFLYQQ-HNNXBMFYSA-N 407.264 1.593 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc2c1=O 803566203 RHOMADLJEPAUEV-CZUORRHYSA-N 405.520 1.759 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 810517195 LJQSUCVBVVYPJA-NSHDSACASA-N 407.370 1.819 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1129009202 RWGOTEKFLZMDSD-CVEARBPZSA-N 400.447 1.825 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3c(Br)ccnc23)C1=O 1129053676 WDTWFOOSFSKAID-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 1134267737 GLVMQZWGTWZKMB-CLCXKQKWSA-N 407.492 1.239 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCOCC3)C2)C1 1135418618 OIYUDMAGOKRDJA-BATSVXPKSA-N 406.527 1.612 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 1136672722 WXGIAFIZVHQGCW-CYVLTUHYSA-N 416.388 1.801 30 10 HDEE N#Cc1cn(CCC(=O)NCCCc2cccc(Br)c2)c(=O)nc1O 1136767962 INUZVEWRJNUCGG-UHFFFAOYSA-N 405.252 1.722 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1)c1cc[nH]n1 1147542088 VAAWELRRWLJAOM-HOTGVXAUSA-N 400.435 1.382 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1148194246 KIAYRJUYSHEYST-OAHLLOKOSA-N 420.409 1.408 30 10 HDEE COC1(OC)CCOC[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1148246463 YIDRWQOQIBLFTG-MRXNPFEDSA-N 424.295 1.651 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cccc(COC[C@H]3CCCO3)c2)c(=O)nc1O 1148437408 AVFGPZGRRVQWJH-GOSISDBHSA-N 412.446 1.223 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1171499117 NBVSOOXAJNGNNJ-HNNXBMFYSA-N 402.499 1.898 30 10 HDEE NC(=O)C1CCN(c2ccc(CNC(=O)C#Cc3ccc4c(c3)OCO4)cc2)CC1 1178038469 BVMZSWVJCIXORL-UHFFFAOYSA-N 405.454 1.785 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCn3nc(C(F)(F)F)cc3C2)c1 1184393877 PUHWWRWFDSKYQS-UHFFFAOYSA-N 413.381 1.094 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NCC1(S(N)(=O)=O)CC1 1206202539 FYHUZRUQMRPUHH-UHFFFAOYSA-N 404.286 1.957 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)C1CCN(C)CC1 1223146544 VVDPNEPIKDLUCX-MRXNPFEDSA-N 418.519 1.379 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)C1 1255123384 IDAIHTCNYKXCIN-OAHLLOKOSA-N 400.522 1.437 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)C(F)F)c2)n1 1271204038 ANUPTESLBVHTSQ-UHFFFAOYSA-N 411.430 1.801 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286389305 HWCZRKGDLBODAK-KBAYOESNSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1286400120 WWFBWGDKYNTSOY-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1(S(C)(=O)=O)CC1 1286415298 GJBLFIIJSFMKRA-UHFFFAOYSA-N 412.515 1.816 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCc1nc(C)no1 1286423075 QLLZONXAAQECQC-OAQYLSRUSA-N 412.494 1.717 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1286483498 NITFTBUJOPPBOQ-NQIIRXRSSA-N 412.538 1.137 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(C)C2CC2)CC1 1286484818 PLVWTXHGCQLENC-IBGZPJMESA-N 410.570 1.378 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286506233 HAWOVQMXKCHFEU-HOTGVXAUSA-N 404.540 1.442 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1286606288 LMMPLNXYQPZFOG-GOSISDBHSA-N 418.542 1.123 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286702439 RJPDMEBZCPRGKT-QGZVFWFLSA-N 404.540 1.748 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286711619 NNVTXUUXIDSNOP-DLBZAZTESA-N 403.527 1.870 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1286719987 POSUMBNQELDAPU-UHFFFAOYSA-N 421.509 1.946 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286769725 OGSYRDMRTKCEPO-MRXNPFEDSA-N 410.522 1.929 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1286906349 GYXAFSWJJBMARE-GOSISDBHSA-N 405.466 1.213 30 10 HDEE CC(C)OCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1288389897 PYVTYGMIZNUISG-YLJYHZDGSA-N 407.515 1.863 30 10 HDEE CCCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1294903531 OEAYWRVZCPIXLD-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CSCCSC1 1297335624 QUDSSKRFGNGKNM-YOEHRIQHSA-N 404.561 1.861 30 10 HDEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CC1 1299690701 HJYNZHLSKHNICM-IRXDYDNUSA-N 407.540 1.735 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)c1 1300394409 GCLQZVLVXSXYHE-LJQANCHMSA-N 412.494 1.405 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1300421785 RGZDKYHZJXYTIO-JKSUJKDBSA-N 417.535 1.923 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1300432520 KWYSWXQXQRCYSB-UHFFFAOYSA-N 403.446 1.336 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N(C)C)c1 1300574620 DNLLXUYWSCNKLQ-UHFFFAOYSA-N 413.485 1.948 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NC)CC1 1300690378 JRFOKYMVFKAODX-UHFFFAOYSA-N 405.506 1.344 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300760447 BLVWROZRYQZVHA-LSDHHAIUSA-N 400.570 1.408 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)cc1 1300777465 XJEZBJXZQWSODY-MRXNPFEDSA-N 410.492 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301500560 NLXHJHLPLVWAND-WMZOPIPTSA-N 415.469 1.801 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301654320 ZEUHNOYRJUDSQV-HDICACEKSA-N 401.467 1.615 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1301958541 DFZOWJOYLMSGRF-LSDHHAIUSA-N 405.528 1.303 30 10 HDEE C[S@](=O)(=NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 1303910432 XCSJCPMEFPZGMA-AREMUKBSSA-N 409.464 1.938 30 10 HDEE Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)n(C)n1 1304725259 AXOYAQVLVADXGT-LJQANCHMSA-N 409.429 1.458 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2)C1CSC1 1307917924 DVHBXWVHECXKBU-UHFFFAOYSA-N 421.588 1.992 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1309515635 VJQMNRVLOYELGC-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)CC1 1310350045 BFAYWKCLAKELAT-UHFFFAOYSA-N 416.463 1.359 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)C1 1320085709 JZDVOCBTJCKVCX-OAHLLOKOSA-N 415.494 1.760 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1 1320152181 BSFWPULGKYXILE-CQSZACIVSA-N 417.325 1.873 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCOC)c1N 1349315799 DFVBQMDXFWBHPB-CVEARBPZSA-N 414.462 1.302 30 10 HDEE CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1357282121 CLJDJRGBOLQUAK-UHFFFAOYSA-N 410.478 1.985 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)c1 1358017360 BPYPGLHOYZTKGA-UHFFFAOYSA-N 404.386 1.584 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1358941732 WAVQGFAQPKNZHK-IBGZPJMESA-N 405.524 1.426 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1358976620 KUEKEVLCWQKJAS-UHFFFAOYSA-N 408.462 1.124 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1358982809 LKSVYKGSVNJNOW-HTAPYJJXSA-N 410.474 1.478 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1359080779 DBSIZQPTVCPODB-ZDUSSCGKSA-N 407.272 1.200 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)c2ccco2)CC1 1359297279 LGLPCVBYXITZSG-UHFFFAOYSA-N 423.477 1.141 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1441182207 WIHVOERTBXHKNC-KRWDZBQOSA-N 421.519 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OCCN(C)C)CC2)s1 1443479850 NPDQYJLCGAUBEM-UHFFFAOYSA-N 415.581 1.324 30 10 HDEE COCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1443672486 JBBVGESGNQDVSJ-CABCVRRESA-N 417.528 1.236 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 1444199656 NBQHQIZTNHVFDO-FQEVSTJZSA-N 400.523 1.703 30 10 HDEE COCCN1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1444213423 HIQHDFAOLQTRET-MRXNPFEDSA-N 407.312 1.594 30 10 HDEE NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 1445488279 YGEUTILXXKDDED-YFWYWMRJSA-N 411.433 1.127 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CC[C@@H](c2ccccc2)NC1=O 1446138564 KZIVKUBPRIYADF-AEFFLSMTSA-N 419.489 1.542 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1452948431 UQWLVADPMJTPRW-LJQANCHMSA-N 401.488 1.727 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1OC 1455384267 FHMASCHQMMTNAH-PJQPZVTASA-N 423.487 1.366 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCN(CC)CC2)nc1)C(=O)OC(C)(C)C 1464208521 UDLGIDYXCSSTCB-UHFFFAOYSA-N 415.538 1.710 30 10 HDEE C#C[C@@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCCO1 1469867017 AUKHBBUYMNIYAY-HZPDHXFCSA-N 404.471 1.050 30 10 HDEE CN(C)C[C@@]1(O)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1471375327 ZYSZUAVETYWTFP-SFHVURJKSA-N 407.312 1.282 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1471984299 UBTOBEFADCEWDS-GOSISDBHSA-N 423.498 1.581 30 10 HDEE CN1CCO[C@@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1472182064 HBIMTRJIMVHCLK-GJMOJQLCSA-N 410.261 1.473 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)c(F)c1 1472618591 ZNMNZDFMCJUIHA-UHFFFAOYSA-N 417.368 1.599 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C1 1475668050 ZSMBQDYRFLDWRA-AWEZNQCLSA-N 403.426 1.355 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1477625748 UACQROQLFJDZBJ-NXHRZFHOSA-N 409.508 1.287 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1493172813 ZUIJTYGOOGOTQK-MAUKXSAKSA-N 410.478 1.289 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1503362168 RQPFHJWFAVSBHQ-ROUUACIJSA-N 421.505 1.400 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1504748608 GZZOYNPIJYFHQH-NQIIRXRSSA-N 415.494 1.456 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1507519313 ZEODTCSIUFWFPB-CABCVRRESA-N 412.519 1.943 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 1507579627 BREMEJBQVVQBMD-UHFFFAOYSA-N 412.494 1.837 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccnc(-n2cccn2)c1 1507618923 VIIQDEWQQWEWTP-UHFFFAOYSA-N 401.478 1.838 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(OC)CCOC1 1507713602 QAJXCGWPLGNYST-QFIPXVFZSA-N 424.505 1.408 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2nc(C)cs2)CC1 1507717071 YEISUILRGVGRII-HNNXBMFYSA-N 415.567 1.740 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2C[C@H]2C)CC1 1507735923 JMGLEWQJXZXYGU-RYRKJORJSA-N 403.527 1.624 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1([S@](C)=O)CCC1 1507769813 CJYCHXZCUMMZKK-GDJIYFAZSA-N 403.552 1.694 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1508422118 WRNXJRXSRZQZDH-LHSJRXKWSA-N 423.477 1.995 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1516734478 PSHNWNHZKCMBOO-KRWDZBQOSA-N 423.477 1.326 30 10 HDEE CN1CCN(CCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1517417455 CGZIQVIGPWTSNG-KRWDZBQOSA-N 410.526 1.095 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1518959105 GZOFRCAVWPUFTI-VXKWHMMOSA-N 424.505 1.321 30 10 HDEE C=CCCn1cc(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)nn1 1519080657 DUVQRWGVDSOGRH-UHFFFAOYSA-N 406.464 1.232 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3[C@H]3CCCO3)CC2=O)cc1Cl 1525577164 HHAPZPHTMSAUFW-FHLIZLRMSA-N 403.866 1.971 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1539171183 IERHNBXFAWNRCJ-OAHLLOKOSA-N 419.489 1.413 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCn2ccnc2C1 1539284701 SMRCOSIQQMANFT-BJLQDIEVSA-N 408.506 1.534 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 1539402821 JPOHLMVNYXGUHB-UHFFFAOYSA-N 421.292 1.910 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1cn(C2COC2)nn1 1539406175 VPGFAAQYXSZERA-UHFFFAOYSA-N 407.478 1.551 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1539416376 MYYHUEWSDQKCPB-KRWDZBQOSA-N 418.519 1.320 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2OC)CC1 1539430084 GHQIOGSBFPQTPV-SFHVURJKSA-N 413.522 1.814 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1c(CC)nn(C)c1OC 1539534082 YICBWOFCAFLZEX-OAQYLSRUSA-N 413.526 1.761 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1539633591 ZNWWWYOBMBULNL-SQNIBIBYSA-N 403.527 1.855 30 10 HDEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540005298 HGLJKZYGNJWEDQ-KRWDZBQOSA-N 412.469 1.121 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCn1cccn1 1540865016 RSIWVPWRFRCKPF-UHFFFAOYSA-N 410.438 1.488 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)OC)CC1 1540866143 DIQLWCOJTKJTPL-UHFFFAOYSA-N 413.478 1.645 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2ccnc2C)C1 1540884832 VVOGHZFPLDKELR-GHTZIAJQSA-N 416.526 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1540890763 JONZLSJHNRYCJK-SJORKVTESA-N 416.526 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1540898723 SHQTZCXKDATSCH-HDICACEKSA-N 424.615 1.182 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2C1 1540907325 SKFGROPPYWAECY-UHFFFAOYSA-N 415.519 1.522 30 10 HDEE CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)o1 1546937831 HILABDVPOFUJBV-JSGCOSHPSA-N 423.543 1.924 30 10 HDEE COCCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1=O 1555594608 HENUKXFVRNGJFW-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1555635714 DCOOUKSYRIAJED-GUYCJALGSA-N 411.869 1.994 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1556603477 GEDGAYRJSHNHNL-QFBILLFUSA-N 420.473 1.066 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@@](C)(C#N)C2)c1 1557619739 HOTCBTLYCBRDOF-IBGZPJMESA-N 406.508 1.209 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1 1557865907 OXDYDPHNGSOCAN-LJQANCHMSA-N 412.515 1.535 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1558328675 DTQQGOYOVHFXIV-SFHVURJKSA-N 419.547 1.310 30 10 HDEE COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 1560149967 DWHBAGJRCJOZTH-YVWKXTFCSA-N 416.497 1.666 30 10 HDEE C=CCN(Cc1cccs1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1565331344 DOYNDTKXDONKIR-UHFFFAOYSA-N 400.504 1.878 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(C)C(=O)C1 1570546005 GQLZFGASXACFSK-HOCLYGCPSA-N 420.535 1.124 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1583212885 BUNCFHVAABDPPU-INIZCTEOSA-N 422.356 1.448 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(OCCCOC)c2C)CC1 1585004520 NKZLKYMZKKGVRM-UHFFFAOYSA-N 401.507 1.308 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1587550200 KIXXEHFFGDOXCM-HNNXBMFYSA-N 421.505 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)c1 1587550872 USRHJWKXBHJHON-KRWDZBQOSA-N 410.522 1.759 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1588162713 YPGQMYOTZYDYAB-UHFFFAOYSA-N 412.519 1.211 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1588314641 LVKJJTGZKAWDFR-CYBMUJFWSA-N 403.284 1.895 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCN1CCc2ccccc2C1 1588433605 QJWDYOXSUXZLLD-UHFFFAOYSA-N 406.534 1.918 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)C2CC2)CC1 1588848430 FPHKFVVLVKHSAW-UHFFFAOYSA-N 406.534 1.459 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1588929547 CQTYKFJFOSZPFS-IEBWSBKVSA-N 414.554 1.090 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCC2)CC1 1588954184 BILHGROKOYNIIU-UHFFFAOYSA-N 413.547 1.811 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)nc1OC 1589232962 BZDANOIRWOIQBB-JOCHJYFZSA-N 424.505 1.853 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589529636 ORSDSSVQTASWNU-DZJNRPSUSA-N 400.483 1.566 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1589558847 MHTHKQMOFRKXCS-WVBUVRCRSA-N 410.522 1.947 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)c2)CC1 1594013733 JTUFKEFSWYAMJT-HNNXBMFYSA-N 407.544 1.411 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1594732959 JXBAAJMSELAGDA-MRXNPFEDSA-N 413.544 1.888 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cn1cnc2ccc(Br)cc2c1=O 1595570999 GXPUROLGDWLYIQ-UHFFFAOYSA-N 407.224 1.074 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1nnc(O)c2ccccc12 1595602136 FOECIDKIEPWITJ-UHFFFAOYSA-N 405.422 1.373 30 10 HDEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1595894970 DNIQZZHRNKXGCD-SFHVURJKSA-N 415.563 1.934 30 10 HDEE CC(C)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1607295193 KJXNYYZEKKZZIY-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1607488934 MJVKRLHKFOXRQR-UHFFFAOYSA-N 415.837 1.766 30 10 HDEE COC(=O)c1ccc(N2CCN(CC(=O)Nc3ccccc3OC)CC2)c(C#N)n1 1612174242 HZPLCJGKLHJGCX-UHFFFAOYSA-N 409.446 1.509 30 10 HDEE CCOC(=O)NC(=O)C(=NNc1cc(C(C)=O)ccc1F)C(=O)NC(=O)OCC 1615950728 SVQVBIZXVLQNOM-UHFFFAOYSA-N 410.358 1.342 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4nc(N)ncc4C3)C2)C1 1616765720 XSIJSALTAMCONI-DYDLGINISA-N 412.494 1.730 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1617696368 BOYLSKOJJJPYFQ-IBGZPJMESA-N 423.521 1.206 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1620356364 XQLQVBKDUUUUHQ-ZBFHGGJFSA-N 421.452 1.358 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)[C@H](CO)C1 1620573168 CMRHRSWLJNQRKW-ZWKOTPCHSA-N 405.495 1.406 30 10 HDEE COc1cc(N2C[C@H](C(=O)NCc3nc(C#N)cs3)CC2=O)cc(OC)c1OC 1626926128 GPVVHDNCCHKJMX-LLVKDONJSA-N 416.459 1.710 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(CCOCCO)C3CCC3)ccc2c1=O 1632731630 YUPTWIBWCVASQW-UHFFFAOYSA-N 403.504 1.875 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 1633662509 NROCZYOFYJRRIR-RWMBFGLXSA-N 418.416 1.663 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 1633710601 MKKKKLTVURARGJ-GFCCVEGCSA-N 413.862 1.484 30 10 HDEE C=CCOC[C@H](NC(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C)C(=O)OC 1634063648 NYPZNXCEAUALFO-LBPRGKRZSA-N 413.496 1.950 30 10 HDEE N#CCCn1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 1634122292 OSKKBKVYWNHMTB-UHFFFAOYSA-N 419.463 1.265 30 10 HDEE N#C[C@@H](CO)NC(=O)Cc1cc(Br)cc(I)c1 1636604859 FFDQXVHWYWVJTP-JTQLQIEISA-N 409.021 1.597 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1 1636660516 GBVRQZQSFKGHNL-UHFFFAOYSA-N 401.282 1.087 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1637184635 JUJBWRCHCOGMEG-GJZGRUSLSA-N 402.513 1.214 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(CC#N)C1 1638967546 BOKXFKGTELLEAU-AVRDEDQJSA-N 416.522 1.889 30 10 HDEE CN1CCC(OCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1639990719 ZPUPQSXSNZQSIM-UHFFFAOYSA-N 408.506 1.708 30 10 HDEE CCOC(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Cl)c1 1640637278 XIQLDSSSGXEKAY-UHFFFAOYSA-N 417.809 1.739 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 1641575348 YWSHJKPLWHVUDQ-ZDUSSCGKSA-N 403.416 1.428 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)[C@@H](O)c3cccnc3)ccc2c1=O 1642580137 SRBRTBQFGYDDJT-SJORKVTESA-N 412.471 1.091 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1643516862 UYTRCJOHZRPIFT-ZDUSSCGKSA-N 409.464 1.416 30 10 HDEE CCOC(=O)c1n[nH]c(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 1650944487 ZGCIUCICEHJTIR-UHFFFAOYSA-N 400.414 1.525 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1652745728 MLNHTYNXVZVHTQ-UHFFFAOYSA-N 418.457 1.875 30 10 HDEE CN1C[C@@]2(C)CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@]2(C)C1 1654415334 STCZFCDPDZKJSH-DZFGPLHGSA-N 401.580 1.731 30 10 HDEE CCCS(=O)(=O)c1ccccc1S(=O)(=O)CCN1CCO[C@@](C)(C#N)C1 1654932309 DCPOHXDNBIBJNJ-KRWDZBQOSA-N 400.522 1.258 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1655337456 DQWRVVZDPZFPAO-YOEHRIQHSA-N 424.954 1.733 30 10 HDEE O=C1C(=O)N(CCc2cccs2)C(=O)N1CC#CCN1C(=O)c2ccccc2C1=O 1656139738 DCDTVHCTUQFYTG-UHFFFAOYSA-N 421.434 1.381 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)C[C@@]2(C)CO)n(-c2cccc(F)c2)c1C 1659506012 CJRCRHKEVIVRAX-UTKZUKDTSA-N 400.454 1.861 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(ccn3CCC)c2)CC1 1668918568 FAVNBNHVBZFUOH-UHFFFAOYSA-N 403.508 1.668 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)C2=O)cc1 1681302358 XGESYACRWLWCTD-XUVXKRRUSA-N 411.506 1.294 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(OC)c(O)cc2Br)CC1 1682480699 UYUDIYFZNYTIEZ-UHFFFAOYSA-N 424.295 1.834 30 10 HDEE C=CCCC(C)(C)CNC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1687271260 WTLQWEGURNLWQD-UHFFFAOYSA-N 405.503 1.455 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689904152 MJISWLPDBMABFM-AZUAARDMSA-N 416.570 1.607 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689923534 WBIJVWZOVNLDKX-UHFFFAOYSA-N 408.506 1.829 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1689966063 KFMLHXRMZCXDJZ-GOSISDBHSA-N 407.584 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1cccc(OC)c1 1689998191 DYFIHMGOTCVTSJ-KRWDZBQOSA-N 409.490 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ncn(-c2ccccc2)n1 1690043153 QUHRFFXJHITZHN-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1690074082 QXGUEVGHOSEOAA-UHFFFAOYSA-N 410.434 1.488 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(OC)CCOC2)CC1 1690125847 PLOKTOPYCJHMNQ-HSZRJFAPSA-N 409.534 1.738 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1690189760 BHXDWGCZLVPKFO-SCLBCKFNSA-N 422.942 1.977 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1C[C@@H](COC)OC 1690203315 YBKGKZPVIGTDFU-VBKZILBWSA-N 401.467 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1690245716 MAXRQPKZRQEPET-ULQDDVLXSA-N 410.540 1.388 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1690561485 RRMFFKUOPTUQKJ-JOCHJYFZSA-N 412.538 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690662776 CXDWTFPYVRIZBM-SFHVURJKSA-N 421.505 1.471 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690673331 SYAUGXHNTUJKFD-ROUUACIJSA-N 408.506 1.194 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[C@@H]21 1690714561 OWIDNYWEHARBPK-CABCVRRESA-N 416.507 1.515 30 10 HDEE CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1695555703 XQDXKIDARBNDGP-HMWBCQRISA-N 400.483 1.687 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1705516517 CTILAHITKNVVMU-KRWDZBQOSA-N 405.568 1.658 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 1705560091 IHSCXYWKELNBRY-MRXNPFEDSA-N 416.503 1.805 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705565645 JBJABYLTZCTPIQ-SJORKVTESA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1705572186 TUCSBJFQBDXWQV-UHFFFAOYSA-N 418.501 1.246 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705658274 KLIPTBGQGZJVAW-QGZVFWFLSA-N 400.508 1.048 30 10 HDEE C=CC1CCN(c2nnc(COCC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705785590 OICIXXSCLMTHGU-HNENSFHCSA-N 400.483 1.743 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705828519 PXKXASMVBRJRLW-ZWKOTPCHSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1705901341 IXIBHQJKSGFFPM-KRWDZBQOSA-N 410.526 1.743 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1COCCO1 1706315532 CXKUJDDDLRTWRG-HZPDHXFCSA-N 412.498 1.194 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1707951787 FIFAILSMXXFOCD-WMLDXEAASA-N 421.505 1.398 30 10 HDEE COCCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1712391317 JLXBFQQVAFUTPU-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C1 1712874768 BQVDSYBYLFIKSE-INIZCTEOSA-N 413.791 1.817 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnnn1CC1CC1 1722282296 PPBMYONSRKRIOR-CYBMUJFWSA-N 407.438 1.756 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722368761 SQLKEPLHAHFSEV-OAHLLOKOSA-N 405.549 1.986 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1722419333 XTLNPOGNVCLHRC-UHFFFAOYSA-N 419.551 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C\CC)CC1 1722448035 UPYCJJBICJOTPT-OSJSJHBBSA-N 419.551 1.112 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1722517122 HRYYSCWQRDYAHO-QGZVFWFLSA-N 423.583 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)OC1CCCC1 1722724652 CEMFMGGIEODXJS-UHFFFAOYSA-N 411.528 1.425 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729116060 LMAGOIBHKXWSEX-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE CCSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1729282617 QVFPTGWEDKJHBY-WFASDCNBSA-N 404.537 1.473 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1729666828 YJTYRJCCLKMSRS-VGSWGCGISA-N 421.505 1.257 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2COCCO2)CCO1 1731185919 HPZFYIYWGQKCMQ-JKSUJKDBSA-N 421.404 1.691 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1740532242 YYBFXJDEPCDKKT-GOEBONIOSA-N 424.571 1.078 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1740547690 ACMSABJRWXUHMK-RHSMWYFYSA-N 416.503 1.826 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740548934 AYEYXSXKVFAKIR-JXFKEZNVSA-N 402.520 1.185 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1740552665 XUKKTDLOHMGGOK-HNNXBMFYSA-N 419.489 1.435 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740565137 KFMKRGROVIZWTQ-SFHVURJKSA-N 412.538 1.909 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nccs2)C1 1740579645 RNZSAMWQFYRHPI-OAHLLOKOSA-N 400.508 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCCn1cc(CO)nn1 1740636165 UYBDRFUOESQTFH-UHFFFAOYSA-N 405.462 1.201 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1740646298 VJZFXJZVFRMHMG-HNNXBMFYSA-N 414.416 1.813 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1740667735 OLIAJULFVALUMJ-HXUWFJFHSA-N 415.567 1.346 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1740677180 QYDCNZYBYOCDAU-ZWKOTPCHSA-N 413.453 1.424 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(O)CC2)n1 1740689131 PPPJMGXXUSRIJI-QGZVFWFLSA-N 400.483 1.137 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740718065 HFTNHBMYYPHZKO-MSOLQXFVSA-N 416.551 1.988 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1740791384 FEQXCCDGJNZYFF-UHFFFAOYSA-N 414.510 1.536 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2cncn2)CC1 1740958314 NBEIWTMBVCODHK-KRWDZBQOSA-N 414.514 1.330 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1740981837 XWSHUBQCMUFGMV-LSDHHAIUSA-N 405.890 1.561 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1747218640 AXJRXXXGXRMEJW-HOTGVXAUSA-N 420.514 1.943 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748713677 DCQQCNBACUVETO-QVKFZJNVSA-N 414.510 1.400 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1748790660 KPBQNLZUBCNOTE-ZDUSSCGKSA-N 405.455 1.027 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1748891820 GSTCYZRGWQBTSG-OTWHNJEPSA-N 418.563 1.704 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2F)CC1 1748990862 MWZKHSOOPFWTMR-KRWDZBQOSA-N 416.888 1.825 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1750030840 SKWLFJRSNCKZRP-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE CC(=O)NCCCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750038029 HRAWFDAJNBKLTB-UHFFFAOYSA-N 409.494 1.997 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1751093996 BTQSTWCSPHDRLY-RYUDHWBXSA-N 413.454 1.558 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCc2nccn2C1 1751199199 JCBULUGMTFRMJR-KKUMJFAQSA-N 420.543 1.086 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1751293316 HOWTXEYLGGQDGP-KRWDZBQOSA-N 415.519 1.867 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCCO1 1752311729 FFPJHYKRAPDYTC-INIZCTEOSA-N 422.493 1.606 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1760225530 SDJBASOZVZMCCU-BEFAXECRSA-N 405.524 1.256 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cccc(C(N)=O)c2)CC1 1760258828 CHHRLSRKZVCODS-HXUWFJFHSA-N 422.533 1.617 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)N(C)C)CC1 1760262480 ZBUMOZMFRQMMQP-XLIONFOSSA-N 410.522 1.496 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1760282297 ZKUGVRKZCMTWRN-HNNXBMFYSA-N 423.564 1.788 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760287621 YTEINAOMDQEXFH-CQSZACIVSA-N 418.523 1.017 30 10 HDEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@H](C)C#N)n(C)n1 1762398498 HMBNIIQMCAVECE-CYBMUJFWSA-N 412.523 1.956 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767244856 LSVCIBMRGNAFOC-RMYFCYLKSA-N 400.483 1.545 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CCO1 1767712379 IFXHAIVRYIOUAV-QZTJIDSGSA-N 410.478 1.193 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1772515818 VSJFNDBCUULRCC-UHFFFAOYSA-N 417.477 1.374 30 10 HDEE CCC(NOC/C=C/Cl)=C1C(=O)CC(O)(C[C@@H](C)S(=O)(=O)CC)CC1=O 1848434729 ASBDFYFTRUGRNN-KSAAHVERSA-N 407.916 1.801 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cncc(I)c3)CC2)n1 1851284953 OIKYXSNITMNLGH-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851527922 OPZDFWGQCUTGJU-MSOLQXFVSA-N 410.430 1.974 30 10 HDEE C=CCN1CCN(C(=O)c2cn3c(n2)sc2cc(S(C)(=O)=O)ccc23)CC1 1852605442 DWYJQHRKUVRCDJ-UHFFFAOYSA-N 404.517 1.896 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)s1 1853613773 ZKEFZEJDXBNVCH-HNNXBMFYSA-N 414.531 1.972 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1854195119 DPTLPDHMOXXHQD-APWZRJJASA-N 419.472 1.991 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C1=O 1854225722 GSWDCVURFMUMLK-HOTGVXAUSA-N 409.442 1.253 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1854237710 CQWKAROYAFBUCF-OAHLLOKOSA-N 405.476 1.385 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCn2c3ccccc3c3ccccc32)C(=O)C1 1854474071 QEEJVPFHOIAPCZ-UHFFFAOYSA-N 424.482 1.709 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C1=O 1854660683 VQXKGNINUXYMOR-JKSUJKDBSA-N 404.536 1.923 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1854751053 FZPCJEXFTCVPQH-QAPCUYQASA-N 423.510 1.614 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3ccn(C)c(=O)c3)C2)CC1=O 1855010889 UKASRICYGOLXBZ-IEBWSBKVSA-N 400.523 1.233 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1855060064 KMUYKZWWNUZCNZ-SFHVURJKSA-N 411.568 1.321 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)C1 1855552265 BURHFMHLYADXCR-UHFFFAOYSA-N 411.549 1.396 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@@H]2COc3ccccc3C2)CO1 1855783624 JJMXRDZSRNSIKD-IRXDYDNUSA-N 414.439 1.657 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)C1=O 1855789912 MMWSYRCXSQRLHV-IBGZPJMESA-N 411.506 1.265 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(F)cc3)C2)CC1 1855887665 DSCVSWXCTPRDCY-MRXNPFEDSA-N 407.449 1.903 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)CC1=O 1855982595 YYKYHPRGUSKRBP-GOSISDBHSA-N 419.547 1.703 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1856999234 MWQMMOQONTXACD-DOTOQJQBSA-N 400.479 1.471 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857014441 HUIIHLPZVMTFTJ-KRWDZBQOSA-N 409.446 1.782 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1 1857421462 NOMFFVQWEBUQOW-UHFFFAOYSA-N 411.483 1.610 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)Nc2nc[nH]n2)c(C(=O)OCC)c1C 1860748513 DKWRBCFGIHJXSA-UHFFFAOYSA-N 407.408 1.271 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)cc1 1870097645 PXNNKXRLSQIVOM-UHFFFAOYSA-N 421.442 1.829 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871665930 HMFRYJPFCCQYDU-UHFFFAOYSA-N 400.483 1.067 30 10 HDEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1890866343 KSRATYODZSAQQA-IBGZPJMESA-N 421.538 1.782 30 10 HDEE C#CCN(C)CCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1984759109 CKSRDNQEOZDMBM-HSZRJFAPSA-N 414.550 1.837 30 10 HDEE C[S@@](=O)C1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2005016790 VFCUFLYYLLBXMV-HSZRJFAPSA-N 401.135 1.710 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(=O)N[C@H](CCS)C(=O)O)C1 2123764255 ADIIXVUINWWDJJ-IVZWLZJFSA-N 400.419 1.921 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCC(=O)O)s1 2124005220 YFKVJTKDSRGGEO-SECBINFHSA-N 400.482 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174788139 BFYUBQJEBZDZON-QWHCGFSZSA-N 408.471 1.559 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 2180138431 XKSYVVGGSRRDRN-PMPSAXMXSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCS)C(=O)O)C[C@@H]2COCC[C@@H]21 2180629025 IRYHJSLQHDTJOM-SYQHCUMBSA-N 402.513 1.538 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CCO 2221673321 ABSPYAYHPBJTGI-HNNXBMFYSA-N 411.296 1.997 30 10 HDEE CN(CCn1cnc(C(=O)N[C@@H](C(=O)O)C(C)(C)S)c1)C(=O)OC(C)(C)C 2233479174 QKASXQQTUKQTNT-LBPRGKRZSA-N 400.501 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2243324962 SEJSKKHATRZDMK-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE CN(CCN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243402231 FFKRHZLZJPNSIU-UHFFFAOYSA-N 408.308 1.648 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2243407718 YCFKQPXNMDNUCX-UHFFFAOYSA-N 405.304 1.911 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243419010 PQGIFHRAWXIPRG-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674913 PJPSVTKGPLWIEW-NEPJUHHUSA-N 423.344 1.972 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243686118 HWYLBOZDLMLEMV-HNNXBMFYSA-N 409.336 1.582 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245257716 DIXMNZZRYQTEMU-PQAPVRDISA-N 410.320 1.908 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(N)=O)Cc2ccccc2)n1 2247844434 BQCWRUVPBQPZBW-UHFFFAOYSA-N 409.295 1.817 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247858572 OUZLBGCBFMUSRY-CYBMUJFWSA-N 420.319 1.666 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247913922 CMAJRGONYMAVEY-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247919204 SXSMUCAMNUOBJS-OCCSQVGLSA-N 420.319 1.694 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247923415 YEDYIUMHSMHXSA-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C[S@](C)=O 2267357248 VWIJQWAOIONBLR-ZZDSUILFSA-N 407.388 1.401 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716111 IDDICTDKPGBXTR-JNDILOIQSA-N 407.388 1.435 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](S(C)(=O)=O)C3)c2Cl)OC1(C)C 2281945505 MMXAWZJFMDSFBX-JTQLQIEISA-N 419.761 1.960 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282030999 MWXBBRYXRUZMDM-NSHDSACASA-N 402.347 1.304 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CCNC4)C3)cc2Cl)OC1(C)C 2282304529 LMAIGCJTPDHJSJ-UHFFFAOYSA-N 418.777 1.685 30 10 HDEE C[C@@H](N)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282329124 IENMEHZSILBDBY-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CC1(C)C[C@H](N)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331008 IMHYJMXHYACHLX-ZDUSSCGKSA-N 400.375 1.795 30 10 HDEE CN([C@@H]1CCC[C@@H](N)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333563 QDGIYJZUJSINBV-ZIAGYGMSSA-N 400.375 1.938 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)S1 2282350407 MONAUMYHVXAHRN-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282499905 GLVLVFKLIHAJSB-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O 2282651893 HLJWXBVWDUFVPZ-VXGBXAGGSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@H]3CN)cc2Cl)OC1(C)C 2282829967 NNJHRJWSAJWPQF-JBLDHEPKSA-N 418.777 1.668 30 10 HDEE CCOC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834827 YIRIJLJSJQSKBD-VIFPVBQESA-N 423.749 1.931 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(CCO)CC2)OC1(C)C 2282835930 ZQUBTZJGEGLDRR-UHFFFAOYSA-N 402.347 1.024 30 10 HDEE CO[C@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849636 FAYQTPLRNFNDOM-RYUDHWBXSA-N 403.331 1.130 30 10 HDEE CC[C@@]1(O)CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282857509 JEVXZKREICYHMI-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE C[C@@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406761 CBBRYIUZMMLEBX-VHSXEESVSA-N 419.355 1.584 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2290353670 DUXHTVZEDSNGDA-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CN(C(=O)OCc2ccccc2)C1 2339660334 APROLMHYENBINR-SFHVURJKSA-N 422.547 1.565 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365203459 JDASXSKYQGHBST-YNEHKIRRSA-N 410.483 1.146 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367790005 FQFWRYGHGMLJHF-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367796702 QVKQJYITHIIDCK-ARFHVFGLSA-N 400.541 1.604 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 48567832 KJABKFYCTVZFJT-ZDUSSCGKSA-N 403.241 1.554 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2cnccn2)CC1 427804836 DDOGUJOYJUOZTA-CQSZACIVSA-N 415.475 1.085 30 10 HDEE C[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CCO 428144361 ZXQFRVFUXRBDRX-OAHLLOKOSA-N 412.450 1.511 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C)c2Br)CC1 434945294 BRWISCVGAHOIAF-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 465401024 JLLPVUBFNNYNLL-AWEZNQCLSA-N 408.499 1.451 30 10 HDEE CCC1(CC)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC[S@@]1=O 469892567 WLLGQZKYUUQEKL-PTFIGZPYSA-N 411.549 1.375 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)n2)c(Cl)c1 473774723 IHCIGXHMJBHCER-CQSZACIVSA-N 402.842 1.502 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(O)nc2ccccc12 482403592 IOXUZMAQGYTXME-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE CCOC(=O)c1c(NC(=O)c2ccnc(C#N)c2)sc2c1CCS(=O)(=O)C2 483142232 LYXQOTLZZWOKFF-UHFFFAOYSA-N 405.457 1.915 30 10 HDEE COc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1O 487456342 SBAPUXGBVKEUTN-GFCCVEGCSA-N 419.459 1.264 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)ccc1F 488848950 CKIFQTGEDSVLJY-UHFFFAOYSA-N 408.455 1.620 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1 508497421 LDGCDQRYHPUPJN-QGZVFWFLSA-N 421.523 1.312 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)ccc1C#N 516819459 ONNQGVLPBGZMDG-UHFFFAOYSA-N 403.460 1.690 30 10 HDEE Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1S(=O)(=O)NCC#N 519459355 HBYIQFFEYXREGA-IRXDYDNUSA-N 423.560 1.924 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@@H](C)C#N)C3CC3)CC2)cc1 532816745 PFLOQIFPXURAGT-INIZCTEOSA-N 420.535 1.152 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 542451431 BYBQIVPNAUJVGG-LEWJYISDSA-N 418.501 1.997 30 10 HDEE CCOC(=O)c1cnn(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1C#N 543692141 VEYJHDCIHYTOSD-UHFFFAOYSA-N 409.446 1.352 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 554429597 COBBGPGIQYDTQC-UHFFFAOYSA-N 402.423 1.953 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 557979714 JMFBNXPTOKKZAU-ZWKOTPCHSA-N 418.453 1.324 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 558964626 JYBAQKWBCPQNKJ-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C[C@@H](CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccc(F)cc1F 561693724 RSUJRCKZBBXHJQ-AWEZNQCLSA-N 413.428 1.800 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 573929978 TWAIRVOWJOCIJE-UHFFFAOYSA-N 421.509 1.557 30 10 HDEE Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 581949796 UFCJOOXAOQVKGZ-QGZVFWFLSA-N 406.442 1.601 30 10 HDEE Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)n1 585482963 UDEUSZWGTOTRGA-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nccn2CC(F)(F)F)cc1 727811493 PNMGWZWUXQZEMV-UHFFFAOYSA-N 400.382 1.287 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2sccc2S(=O)(=O)C(F)F)CC1 731000152 VDOBTJOOBSBKKG-UHFFFAOYSA-N 412.443 1.973 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2c(Cl)nc3ccccn23)c1 749156503 ADNGYAAUAVRVTR-UHFFFAOYSA-N 402.863 1.910 30 10 HDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1 751665129 UPPOFVRCPPUQGZ-IRXDYDNUSA-N 404.536 1.783 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755047025 DJXGNNAUEQSROZ-UHFFFAOYSA-N 422.535 1.489 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccn2)CC1 756893627 WLUDZLVIQUEUGA-IRXDYDNUSA-N 414.510 1.322 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757589226 PUMMLMPRXMBNPB-DOTOQJQBSA-N 421.519 1.898 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccnc(-n3ccnc3)c2)C1 758433746 WYNYKMMZUFRSML-HOTGVXAUSA-N 411.466 1.826 30 10 HDEE Cn1nc(Br)cc1C(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 759685989 DDJIHEGCTGJOMW-NSHDSACASA-N 406.196 1.730 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 761684314 AVEUQVMLYGEBLK-FQEVSTJZSA-N 413.522 1.584 30 10 HDEE NS(=O)(=O)c1ccc(C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)nc1 769837218 JIQOTWXZBGTNPT-UHFFFAOYSA-N 400.334 1.836 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774169652 DFQYAFQZRWYSNM-HIFRSBDPSA-N 410.492 1.605 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774218463 RJDYQZOBICGUBU-CVEARBPZSA-N 413.540 1.608 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cnn(CC(F)F)c1 778912261 WFYZYOJDZWSSDH-MRXNPFEDSA-N 412.418 1.928 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)NC(C)=O)cc1 779317470 HBPAXXLYGBZXSS-KRWDZBQOSA-N 407.492 1.792 30 10 HDEE COc1cc(Br)ccc1C=NNC(=S)NCCCN1CCOCC1 781578024 GSMLMTWGQFDGDW-UHFFFAOYSA-N 415.357 1.978 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCC1(c2cc(C)ccc2OC)CCOCC1 783000739 WKXBDAHAPHDTAO-UHFFFAOYSA-N 410.536 1.952 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786182569 NRALXVADMASMBD-AWEZNQCLSA-N 406.487 1.592 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)n1 788858376 JWDYTNGPJFBHAI-UHFFFAOYSA-N 415.469 1.552 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)n1 798533661 QMTWWEMYDVLDMP-RXVVDRJESA-N 423.517 1.864 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(C#N)n1 798745203 GGYGPLFUCHKDSW-WDEREUQCSA-N 405.436 1.828 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800781952 FJLBMNCVKDZXDJ-IBGZPJMESA-N 419.537 1.815 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CCCC3=O)n1 814392429 NYSMEETZJCHNKD-UHFFFAOYSA-N 401.488 1.873 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 917035641 RXASXVMGGCSKLG-IBGZPJMESA-N 418.453 1.552 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccco2)n1)NCc1ccc2c(c1)OCO2 1084459634 JJHYRVLVHUGVNN-UHFFFAOYSA-N 400.420 1.981 30 10 HDEE C=CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1136358652 ZCJUAVNOLNPFES-QGZVFWFLSA-N 410.536 1.839 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc2c(s1)COCC2 1156402674 TTXFSAWNZBROPV-LLVKDONJSA-N 406.489 1.071 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(c2ccc(C#N)cc2)CC1)c1cc[nH]n1 1157523482 CDIOBVSRIIMDKP-UHFFFAOYSA-N 409.446 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)CC1 1158083805 GPAQBVBPLJGEFD-IAGOWNOFSA-N 410.536 1.815 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)OC 1161365105 OUYSOQXUBYEANF-CYBMUJFWSA-N 408.457 1.549 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)cc1 1174842713 JYDSHOKYBXWAHQ-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)ccc1Cl 1175612388 RPSVSSKBLRVGMB-HKUYNNGSSA-N 404.898 1.875 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196689980 DRNMSCGTBBZWMW-STQMWFEESA-N 401.872 1.470 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cc1 1214815601 WEZPIQYAXQWOLW-UHFFFAOYSA-N 406.439 1.711 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1230086206 NFLOPCPVAAWWLS-UHFFFAOYSA-N 408.483 1.644 30 10 HDEE C#CCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2c2cnn(C)c2)CCC1 1282165366 SSESUPBCNKEMRX-FYBDHJHVSA-N 422.529 1.448 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1286451679 NBOWSNGCQHXNRQ-BZSNNMDCSA-N 424.615 1.716 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286467932 XMWBDFXGYMBPIX-HZPDHXFCSA-N 415.460 1.752 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286506247 HFHBMDURXZNUOT-JKSUJKDBSA-N 412.581 1.900 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286603820 YTORKCXQHUFEKJ-INIZCTEOSA-N 400.483 1.995 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)(F)F)CC1 1286650650 HOJBPHUKZYOOMP-ZFWWWQNUSA-N 417.432 1.837 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1286706442 OLNQBJATUUITCY-UHFFFAOYSA-N 418.464 1.693 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1286716581 HNXQTYTXOIEQRB-WIYYLYMNSA-N 407.559 1.909 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1286790310 CTPCRRRVIVXQOA-UHFFFAOYSA-N 402.421 1.038 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCS[C@H](C)C1 1286821756 ADCZAZKUPLXYEM-OAHLLOKOSA-N 407.565 1.806 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@H]1C 1286822273 CDKPZTZUIQVXLT-WMLDXEAASA-N 406.556 1.975 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1290687807 UEPGKQAHUNIAIM-PYUISTEWSA-N 401.482 1.953 30 10 HDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1298729401 IKIIVUSGCLODQQ-UHFFFAOYSA-N 422.493 1.795 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C(C)(C)CCOC)CC1 1299464209 SGTLBZXRFYPGSH-RMMWZPCPSA-N 402.535 1.925 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1300409817 JZZISMCUHPGSQZ-WMZOPIPTSA-N 416.551 1.396 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424669 KPJLKNXDFOOKCU-NQIIRXRSSA-N 403.527 1.837 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)CC(F)(F)F 1300432414 VUEURJMRMUCAOR-QGZVFWFLSA-N 403.449 1.882 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1300537890 LIMVPGRPUWJOKJ-IBGZPJMESA-N 408.458 1.405 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300848385 FLTMJJQQFKEBFX-NEPJUHHUSA-N 407.334 1.560 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](COC(C)C)C1 1301490134 LAAHYYIODFUBKN-INIZCTEOSA-N 403.483 1.779 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCSCC1 1301502827 PYQPENFQAXYEDQ-MRXNPFEDSA-N 401.492 1.646 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)COCCO2)C1 1301536215 SFAYPSDKRQIBHW-DYESRHJHSA-N 421.542 1.783 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1301670028 IKFYPSMNKVASPP-UONOGXRCSA-N 402.517 1.114 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 1302925094 WHFKARCIMNPMCR-CQSZACIVSA-N 417.453 1.811 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)CC1 1303942594 VOADVQDXJDONEA-QGZVFWFLSA-N 416.526 1.945 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1304851922 HWAPOOZVVIHUKC-UHFFFAOYSA-N 421.480 1.979 30 10 HDEE C#CCN(C(=O)Nc1ccc(-n2ccccc2=O)cc1F)[C@@H]1CCS(=O)(=O)C1 1310990942 PJMYKYBMIFMVTF-OAHLLOKOSA-N 403.435 1.631 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1313112015 CZZVQNMFLKGXEZ-OAGGEKHMSA-N 413.540 1.606 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1nc(C(F)(F)F)no1 1313429685 FNKYHJLXFFRFKV-NXEZZACHSA-N 410.360 1.731 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1315964212 PMSDRZIDGCZOIJ-FGZHOGPDSA-N 424.505 1.463 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1316488766 ACJVKAIKGLNSNU-ULBJJONDSA-N 418.473 1.840 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)C1 1316526322 GSCCAPPOCKIELN-CYBMUJFWSA-N 421.221 1.944 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=C(C)[C@@H]2COCCO2)c([N+](=O)[O-])c1 1319120406 YXUAOUDAJRDWLO-INIZCTEOSA-N 400.457 1.829 30 10 HDEE COC(=O)c1nc([C@@H]2CCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)sc1C 1324955960 FOFOXKPDQVWNBN-ICDILTBESA-N 418.475 1.818 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(CCC#N)c2C)c1 1351601757 MKIAIURFLRMKIZ-UHFFFAOYSA-N 405.458 1.592 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1358889972 JOMRFOCZSCCNNW-AEFFLSMTSA-N 417.535 1.426 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1358964350 XRJWWAMMLTXFIH-MSOLQXFVSA-N 424.567 1.352 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1359039845 YMQOLGUATPEODA-UHFFFAOYSA-N 420.521 1.712 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359081485 CIFLQFNWKXXJJG-YPMHNXCESA-N 404.272 1.359 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1359238208 CFVUCGJWNGNEQG-SZNDQCEHSA-N 410.478 1.354 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cnn(C)c1 1359296491 LAMDHXSNXPJXTK-UHFFFAOYSA-N 423.477 1.388 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1360959503 FBSFBOMCHIIRLW-UHFFFAOYSA-N 415.504 1.260 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1435899997 MNGBTEWOVKAWFB-QUCCMNQESA-N 424.501 1.962 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)c3snc(C)c3C#N)C2=O)cc1 1436644044 LLMRFONWAHTUPB-IBGZPJMESA-N 413.459 1.762 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)O1 1441241083 KVYQVTBFPPGTBK-SJORKVTESA-N 415.425 1.235 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 1447393902 AMUGKEKBJMIKJS-AWEZNQCLSA-N 400.439 1.926 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C1 1448853959 ZFXKDWWZRMWCCN-MRXNPFEDSA-N 404.492 1.552 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1449427512 SIRGRSPXXRFWEB-LSDHHAIUSA-N 408.476 1.067 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CSC1 1453165672 UVJDMYFVBOJZBP-HUUCEWRRSA-N 408.545 1.675 30 10 HDEE C=CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 1453632266 SEGPTBFPFNYEPQ-KKSFZXQISA-N 408.543 1.788 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)s1 1453739995 HQSMHVYTHCWCOS-ZDUSSCGKSA-N 413.565 1.518 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1454256307 UDMBMQOZHXFETE-UHFFFAOYSA-N 402.451 1.616 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)C1=O 1460436607 RZYXWQMCEOOVKE-NRFANRHFSA-N 411.550 1.329 30 10 HDEE COC(=O)c1cnc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)s1 1460861788 BSEUIMSOIPNAJP-HZPDHXFCSA-N 419.551 1.411 30 10 HDEE C#CCN(CC1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCS(=O)(=O)C1 1461937794 QNMZXOPDISHMRJ-NRFANRHFSA-N 419.547 1.972 30 10 HDEE C#CCN(CC(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)C(=O)OC(C)(C)C 1463961518 WOIMCCYXVYSFOS-UHFFFAOYSA-N 406.483 1.228 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)C(C)C 1467660642 VZFFBIUMKVCIBY-FUHWJXTLSA-N 404.515 1.720 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCC(=O)OC(C)(C)C)CC2)C1=O 1469964258 PJNKULXIJBSCCK-UHFFFAOYSA-N 407.467 1.324 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1470618381 LLMXKEPGYJCRFR-UHFFFAOYSA-N 400.460 1.677 30 10 HDEE Cn1nc(I)cc1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1472636155 XBMRKHSNRDMURI-UHFFFAOYSA-N 419.186 1.934 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1Cc3cccc(C#N)c3C1)CCS2(=O)=O 1479523440 DQJUOYXJEVPBEO-LFDOHDQPSA-N 417.487 1.482 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1503402710 POUUMLIVIVTJDZ-QFIPXVFZSA-N 423.521 1.111 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1504525797 CHQKXAFRMXKEHE-IXDOHACOSA-N 402.499 1.411 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1COCCO1 1505069022 RYWXDNLVAZZXQZ-BZSNNMDCSA-N 405.499 1.548 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1505322782 UAVCBNDHYTZANO-RJCBAWPRSA-N 419.445 1.200 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1507536129 ATNBSWNDJYOHEI-PBHICJAKSA-N 404.492 1.683 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507659821 GISXBWYXQAHGEU-OKZBNKHCSA-N 419.551 1.332 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1507679752 QCVMPNXEMVTWTL-HNNXBMFYSA-N 419.551 1.624 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1507689482 MOECLOWRDNGKBZ-UHFFFAOYSA-N 412.519 1.700 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCO1 1507703968 KRETYSSVTCJQRX-WIYYLYMNSA-N 404.511 1.750 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1507737200 ZYYMATQTXFTVJR-UHFFFAOYSA-N 415.519 1.004 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccsc1 1508041956 WQEUSYXFWVHYRW-DNVCBOLYSA-N 405.524 1.837 30 10 HDEE C=CCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508066190 IIILKWVWUFGUIF-WAOWUJCRSA-N 405.543 1.663 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc2ccccc2[nH]1 1508095876 YGWNCTHWKXZXKQ-UHFFFAOYSA-N 421.505 1.820 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1508161441 DUVDWSBAIRPQHU-OAHLLOKOSA-N 413.555 1.913 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1508422123 WRNXJRXSRZQZDH-QKKBWIMNSA-N 423.477 1.995 30 10 HDEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1509422510 WKGLAAUBKJWXNQ-CZIZESTLSA-N 413.526 1.460 30 10 HDEE CN(C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1517019557 WQPMBEMJGSMZJV-KZNAEPCWSA-N 420.558 1.504 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1517582546 ODFKEZIZXMGUGF-SFHVURJKSA-N 410.478 1.646 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1525639828 TVAUXMZQOBKYCD-UHFFFAOYSA-N 406.512 1.513 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)O[C@@H]2CCC[C@H](C#N)C2)C1 1528079617 CNTUTAOSJDDLMF-NRTGNBEESA-N 412.508 1.894 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)nc1 1539026163 RFBQCRQCMUAAIF-HNNXBMFYSA-N 406.494 1.999 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539075595 BLIGGHVMWJTMBK-SFHVURJKSA-N 421.505 1.540 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1539140147 MWLXEWVWJDIHEW-OXQOHEQNSA-N 416.482 1.613 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCCC 1539172145 UFLWMOHRTTWHEZ-UHFFFAOYSA-N 421.505 1.832 30 10 HDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1CC(=O)N1CCOCC1 1539421778 XYILUOYMURALAY-UHFFFAOYSA-N 411.506 1.008 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539999111 XIPNEMQQVVIREH-OLZOCXBDSA-N 414.432 1.700 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1540125915 CKZWCUMDHVRJDJ-SFHVURJKSA-N 419.551 1.914 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CC)C1 1540890434 FBRIJHOZWZAINN-KSZLIROESA-N 402.543 1.885 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CN(C)C2=O)C1 1540895426 RXHSJAFRJDRXEJ-DYESRHJHSA-N 413.526 1.399 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 1542302203 LHSDUYLFRKKQMX-UHFFFAOYSA-N 417.462 1.890 30 10 HDEE COc1ccc2c(c1)CN(c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O)CC2 1554985583 FAQSHZCKOWKCEX-FMQUCBEESA-N 408.462 1.684 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1555416856 AWQIEWTUSIQONK-MOPGFXCFSA-N 417.445 1.155 30 10 HDEE CO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555772769 AIUPSGIPABGWNX-GFBZJKCLSA-N 416.482 1.271 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1555796663 GMTJXLDMRBFAQK-MRXNPFEDSA-N 412.475 1.866 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(OCC)cc1)C(=O)OC 1556375394 IKTXICQDGBPKGM-SJORKVTESA-N 422.503 1.461 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NCC#C[C@@H]3CCCCO3)c([N+](=O)[O-])c2)CC1 1559300017 YADUPLHHIFLUTE-INIZCTEOSA-N 422.507 1.515 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1564157875 SKUBHKHVGDLFPD-HNNXBMFYSA-N 413.565 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)CC1 1565640565 PNKADAXDFQRBJE-QGZVFWFLSA-N 410.536 1.815 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(CC#N)CC2)C[C@H]1[C@H]1CCCO1 1565814885 MAXINAPNCUYMDQ-OKZBNKHCSA-N 406.527 1.849 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O)C(=O)OC(C)(C)C 1569497047 NUMNLVGPZNTTLG-YJBOKZPZSA-N 404.463 1.466 30 10 HDEE CO[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCOC1 1584224461 PSTGZTLIOCQOPD-WZHFUWBISA-N 407.511 1.941 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 1584637484 IRPDRAOTNNTRSO-CMDGGOBGSA-N 419.485 1.919 30 10 HDEE C#CCCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587773134 BNAWRBBNHPCCRR-UHFFFAOYSA-N 419.526 1.893 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1587807840 JKRYOGRVAKJJLH-QYZOEREBSA-N 405.543 1.572 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1587856195 IBZNIKUBSDBBIW-KRWDZBQOSA-N 421.567 1.336 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@@H]1C 1587989404 JBRHCGHMDQORLV-WMZOPIPTSA-N 413.547 1.701 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1588310279 XIZACZOFTRQMTJ-JOCHJYFZSA-N 405.506 1.657 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCC(F)(F)F)CC1 1588769658 WKLHKISSMQBWJO-UHFFFAOYSA-N 410.400 1.280 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1588837595 ZKLWNQGJMNILIO-HXUWFJFHSA-N 402.587 1.469 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(O)CCSC2)CC1 1588884960 PPNRHYFNTFSVLG-MGPUTAFESA-N 405.568 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCC)CC1 1588899683 UVXRYWUGHOIAQB-UHFFFAOYSA-N 411.506 1.956 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1589581283 QYMJLWKJPANZNO-QGZVFWFLSA-N 418.542 1.411 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1593636854 TWADTIRFANVFHB-HNNXBMFYSA-N 409.556 1.641 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1595392996 FWBRPGVMAACQFE-OAHLLOKOSA-N 416.432 1.656 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1595506793 MVBUZJHXFAIPHK-LBPRGKRZSA-N 418.885 1.221 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(OC)cc2C1 1595537404 QNMMQXMFDFKRGD-KRWDZBQOSA-N 410.478 1.103 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1596832322 VDDFRWIOZYTVJZ-NWDGAFQWSA-N 409.434 1.703 30 10 HDEE C=CCCn1cc(C(=O)N[C@H](CO)c2ccccc2I)nn1 1606602255 BNNJMKVFHOWRDF-CQSZACIVSA-N 412.231 1.922 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1615801763 ANFLBCQPXIUKAB-SFHVURJKSA-N 414.535 1.536 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2=O)cc1C 1616337392 YFAHGKBMWAVCHN-LLGFUMIMSA-N 415.515 1.443 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1618436926 JKCIMCOKLOIPPO-KDURUIRLSA-N 417.531 1.863 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CCO1 1620354390 DAJKYSDAMUMTCH-CQSZACIVSA-N 404.268 1.961 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C1=O 1623369096 AKSBLQIHNGTDEA-LSDHHAIUSA-N 409.512 1.110 30 10 HDEE N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1623788315 BALCTEQBXJYUHL-RBUKOAKNSA-N 405.520 1.412 30 10 HDEE C=CC1(CC(=O)NCc2cccc(S(N)(=O)=O)c2)CN(C(=O)OC(C)(C)C)C1 1624387877 DCBDVAHWNYNVHZ-UHFFFAOYSA-N 409.508 1.763 30 10 HDEE C=CC[C@@H]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1630228109 QHCLWECNDNBEAK-MRXNPFEDSA-N 407.536 1.872 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(COC(C)(C)C)c2)CC1 1630713632 CHSGXUIZGCKUKV-UHFFFAOYSA-N 422.551 1.297 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](n4cncn4)C3)C2)C1 1633382357 JCKNUXTYLQAGPC-KMFGOTIKSA-N 400.483 1.838 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCCC(=O)NC4CC4)CC3)n[nH]2)cc1 1633681053 MISAJMOCIXNEFL-UHFFFAOYSA-N 421.505 1.839 30 10 HDEE COc1cc(C(=O)NCC(=O)Nc2cnc(OC)c(C#N)c2)cc(OC)c1OC 1634293669 GOGMTHADYVSCIN-UHFFFAOYSA-N 400.391 1.356 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1634356120 UUTUEVLSNOYWJD-NZQKXSOJSA-N 413.518 1.752 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1635998930 HTDPAXOAPORPTR-UHFFFAOYSA-N 421.457 1.577 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccc3nnc(C)n3c2)c(=O)c1C#N 1641510507 DHNBIWCOJKSTJV-UHFFFAOYSA-N 401.224 1.834 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C(=O)N(C)Cc3ccccc32)s1 1641677942 YQVYVVXZSUGGKN-SFHVURJKSA-N 419.528 1.584 30 10 HDEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CCN(CCC#N)CC2)cc1OC 1643821922 HMNLNGGKCWRUDU-LSDHHAIUSA-N 400.479 1.970 30 10 HDEE Cc1[nH]nc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1I 1643922108 FIYQIAJUWYRKAO-UHFFFAOYSA-N 409.187 1.563 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(CO)CCc3ccccc32)ccc1F 1644330139 ADEKFKJXMKUEIQ-NRFANRHFSA-N 418.490 1.896 30 10 HDEE C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1644470053 PVBNEJMQLIEKKM-QZTJIDSGSA-N 419.547 1.688 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C2CCOCC2)C1 1645204634 COVCCCAJBKGJOF-MAUKXSAKSA-N 405.520 1.890 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1645267290 BWIURIMVSUJRHK-QITLCBANSA-N 407.879 1.090 30 10 HDEE CN(CCc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1645532474 WLDLLUQKBNJETR-UHFFFAOYSA-N 401.444 1.266 30 10 HDEE CN(C)CC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1646016163 ALCPNUURDVKJIQ-QGZVFWFLSA-N 415.519 1.319 30 10 HDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1ccnc1 1647840487 JRLPPEQMSGKJIV-UHFFFAOYSA-N 415.519 1.707 30 10 HDEE O=C1C=COC2(CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)CC2)C1 1648473478 JEKHWEPVCSHEHX-UHFFFAOYSA-N 402.842 1.592 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)C3CCC3)nnc12 1648848238 ZAJLQZPTJXVQDF-MRXNPFEDSA-N 413.503 1.600 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 1650834201 YQVDRUBXTYROCB-BLLLJJGKSA-N 406.280 1.882 30 10 HDEE CCOC(=O)[C@](C)(NCCC(=O)N(C)CCC#N)c1ccc(S(C)(=O)=O)cc1 1653439089 KCQJNJCTLDOEJW-LJQANCHMSA-N 409.508 1.220 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[C@H]1CCCO1 1655040584 KRSJNORHKVIFLY-VXGBXAGGSA-N 405.245 1.146 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 1657038489 JLSNFRRKNKJEPM-UHFFFAOYSA-N 410.439 1.356 30 10 HDEE C#CCN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1657714173 IWRPMZAWWOWZQL-MRXNPFEDSA-N 403.504 1.030 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1658716765 SCPNHPUVZRSQKK-XEBPYGPHSA-N 416.503 1.557 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cccc3c(C(=O)OC)nccc23)nn1 1663556456 XCNWWAUWXTWHGR-UHFFFAOYSA-N 401.448 1.668 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(C)(C)C 1663654666 IPVXKNXWBPONEW-ZWKOTPCHSA-N 408.520 1.991 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)c(F)c3)CCO2)cc1 1665224121 BNZWFGBDGYIHHT-GOSISDBHSA-N 424.475 1.863 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCNS(=O)(=O)c3cccs3)CC2)cc1 1670774717 BYNAUQKQMFXAFE-UHFFFAOYSA-N 419.532 1.430 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@](C)(c2ccccc2)C(F)(F)F)CC1 1673415625 SSBHCEHQVOOMJW-MRXNPFEDSA-N 418.441 1.259 30 10 HDEE C#C[C@@H](NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1683680400 BPFUBDCUYFSPDE-HUUCEWRRSA-N 414.325 1.799 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C1CCOCC1 1684036846 RUUAPOYPTITZHJ-HXUWFJFHSA-N 415.490 1.600 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1684382722 PCBFMGBAXSNSLD-UHFFFAOYSA-N 404.471 1.631 30 10 HDEE O=C(NCC#CCO)N1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 1684764968 GIVSJIGDDJKDNI-UHFFFAOYSA-N 415.387 2.000 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1686090153 IORRJPWDAUEMDI-UHFFFAOYSA-N 415.556 1.566 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 1686416484 LXOLDCRYBWWADY-HNNXBMFYSA-N 421.306 1.332 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CC(=O)N(C)C 1690008752 NLCLQGQDSJVLTH-UHFFFAOYSA-N 409.490 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1690047076 LEMUHIYNQBZFBY-QZTJIDSGSA-N 415.563 1.127 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1690047706 XJEDZRVNSVJWDQ-QZTJIDSGSA-N 404.536 1.460 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1690154918 AHGUMDJXAWQKCK-AWEZNQCLSA-N 414.491 1.291 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690299107 FLZSBIHULKWUQU-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1690328919 QLIXKDHGOOCGHW-WFASDCNBSA-N 405.977 1.974 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1690514192 XFCLZABRWQQPQM-UHFFFAOYSA-N 413.526 1.783 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1690520725 AVJFMZUZDPMYRT-UHFFFAOYSA-N 412.494 1.460 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCSC2(CCOCC2)C1 1690670478 CCXQWZSVHDYHQU-INIZCTEOSA-N 421.567 1.924 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690674141 QMMCIBLBVKSWTG-UHFFFAOYSA-N 408.506 1.694 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1691886920 AACJGPFIAYXQPQ-YESZJQIVSA-N 416.505 1.476 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)CCOC1 1692589542 ATNQSNTYGQAIHG-PWIZWCRZSA-N 405.499 1.208 30 10 HDEE Cc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1693366539 DBIFRWUCMAOHPW-HNNXBMFYSA-N 401.496 1.137 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCC(F)F 1696328867 GFSHGNQVNJPNLQ-UHFFFAOYSA-N 421.452 1.690 30 10 HDEE COc1cc(Cn2c(C3CCC3)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1697272343 BGZATNFYYQSGEN-QGZVFWFLSA-N 413.478 1.702 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)C[C@@H]1O 1698442901 SAGXQYBYCSXJPB-BEFAXECRSA-N 407.478 1.718 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CC(=O)N(C)C)c1 1705507170 UEHPFIYNBVXIQX-GOSISDBHSA-N 424.505 1.664 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cc(F)cc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705569530 DRLQJGYYOBUFQQ-QGZVFWFLSA-N 408.474 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1705631046 PVVSJZRETRVKIR-FBAVSBLXSA-N 420.554 1.823 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC[C@@H]2COCCO2)CC1 1705641203 WORSUIPGKUMKPJ-OAQYLSRUSA-N 409.534 1.738 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C[C@H](C)C(=O)NC 1705896361 KBKKLISSATUMMI-AWEZNQCLSA-N 400.483 1.074 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2C)C1 1705915833 XMDMGPYETOZCAU-QGZVFWFLSA-N 422.493 1.797 30 10 HDEE C=CCSCCn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705940651 LFKXJGFHYIOKMC-LPHOPBHVSA-N 406.600 1.885 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)Nc1ccccc1 1706625094 FBLXKDZYHVXHMS-INIZCTEOSA-N 411.466 1.174 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)cs1 1707755465 OXKGLLYEJCUXDT-MRXNPFEDSA-N 412.516 1.511 30 10 HDEE Cc1nc(Cc2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1707759074 ZZDJSOADCQOBTD-ISLYRVAYSA-N 413.507 1.760 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](COC)OC 1708476825 ATHIKORBHZWHMW-BBRMVZONSA-N 400.483 1.988 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1712876883 WTHGQHHAASWGFV-IFXJQAMLSA-N 402.430 1.523 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)CC1 1712885796 YKOBJRSMGBVRSP-MSOLQXFVSA-N 416.526 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1722275693 DBHDXWHWJSTEBS-AWEZNQCLSA-N 419.432 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1722277532 NGQZRJOOTINRBC-INIZCTEOSA-N 419.489 1.652 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1COc2ccccc2O1 1722425321 VCYXIKCXOZFONT-INIZCTEOSA-N 406.446 1.661 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722459328 HWGGGSITYSVSFL-HUUCEWRRSA-N 412.581 1.550 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1723770995 CNFGWDAOPFZZJW-WBVHZDCISA-N 404.515 1.801 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)on1 1726442600 GYGVQRXKASSZGD-NRFANRHFSA-N 421.461 1.775 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC#N)CC1 1728629866 DRLUAQHXVNDVHN-GOSISDBHSA-N 413.574 1.835 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1729309439 MGLXUGZDERYYLS-LBPRGKRZSA-N 419.283 1.525 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1729414691 DXIQLVYCZJZJHH-MOPGFXCFSA-N 424.505 1.559 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740570887 KJUMOCUKBOTKLR-KRWDZBQOSA-N 409.538 1.866 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1740609636 MIKQGROLRDCIPW-INIZCTEOSA-N 418.519 1.510 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(OC)c1 1740613246 YYYMAYNQKMHDKS-UHFFFAOYSA-N 421.505 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccc(OC)cc1 1740641928 PPEAITSGMLAFOK-SFHVURJKSA-N 421.501 1.949 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1740676016 NQKOGQFWDLNHJO-ICSRJNTNSA-N 423.517 1.796 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1740689640 CCEGJPMQSBWOSW-JOCHJYFZSA-N 408.550 1.347 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)C)CC1 1740722665 HSSMGFDTZYQNAR-ROUUACIJSA-N 407.584 1.899 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740782153 FBYIEVLSZDOVCI-RTBURBONSA-N 416.570 1.881 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740925938 SXTDVGMKHVGTHN-APWZRJJASA-N 410.540 1.543 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740958474 QBXQCEJNDKGNFO-SFHVURJKSA-N 414.554 1.981 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCCOC1 1740966806 XPQHOSROXZVRRD-RYRKJORJSA-N 407.515 1.167 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1740980989 NJJTYWZQZLWLPU-BRWVUGGUSA-N 410.540 1.388 30 10 HDEE Cc1cccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1742145573 AXYKQSVOPMMGMM-IEBWSBKVSA-N 424.505 1.905 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1743308427 BKLNWBCEBXOFSS-JGWKNBOWSA-N 414.510 1.761 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](F)COC 1746335431 BGDHSHPRDMMISE-INIZCTEOSA-N 409.487 1.672 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1748708128 WCIMTHFLCIYINW-SFHVURJKSA-N 421.505 1.910 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1748747953 PTEYFOIVJFHUKM-OAHLLOKOSA-N 414.539 1.519 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748803849 AETVCALTEBISLD-JKSUJKDBSA-N 409.556 1.287 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1748829603 FCHRQEGMPHDBKF-QFIPXVFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCC)c1 1748888272 QYVGHIJIFNFKNF-LJQANCHMSA-N 418.501 1.490 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748950313 LVIJQKKAVREZOU-LTIDMASMSA-N 409.556 1.411 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749249494 HLQQIQZOZLTDTB-ZDUSSCGKSA-N 416.873 1.234 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N(C)C)CC1 1749312682 RMKSFTZEKPSVCE-UHFFFAOYSA-N 407.544 1.188 30 10 HDEE Cc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)sc1C 1751336332 HCBWXDXJQYAAPY-CMPLNLGQSA-N 411.557 1.748 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1760201804 JPVPXNCBNQIURH-INIZCTEOSA-N 421.892 1.890 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1nncn1-c1ccccc1 1760248726 CZYLCDLMVMAUSQ-SFHVURJKSA-N 421.505 1.887 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NC(C)C)CC1 1760268658 NZVRFNXLNVIVGF-UHFFFAOYSA-N 411.510 1.154 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CCC(N)=O)CC1 1760272772 VNGZJAGWKYKURL-UHFFFAOYSA-N 406.556 1.265 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(N)=O)C1 1760324990 OEWKGEBBLPMBMY-LMMKCTJWSA-N 413.526 1.433 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1760348833 NPXXFLZPYRXHBR-UHFFFAOYSA-N 406.531 1.362 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1760358550 WMDYKVUACJWSNI-LPHOPBHVSA-N 407.540 1.903 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760380837 PIBYVUAZKFCZBY-KKUMJFAQSA-N 410.906 1.311 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760440644 NSLLFCIFXFKIOC-CQSZACIVSA-N 416.569 1.160 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1760494206 JOCRLRKXFGVTHV-UHFFFAOYSA-N 407.496 1.619 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760523815 IIWRUXMIIHSGRD-ROUUACIJSA-N 416.570 1.785 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(C)(C)C)C1 1760547184 GGCIHEPEFSRIHD-MRXNPFEDSA-N 423.583 1.987 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1763081886 KLKGPJRIUIINEF-HNNXBMFYSA-N 419.507 1.103 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2c(Br)cnc3[nH]cnc23)CC1 1849417372 ZQDBHHHKPBUIOP-UHFFFAOYSA-N 412.251 1.949 30 10 HDEE COc1ccc2c(C(=O)N3CCN(c4ncccc4C#N)CC3)cc(OC)nc2n1 1849767493 GJZUZKNAQGVUPH-UHFFFAOYSA-N 404.430 1.876 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(=O)N(C)CC2)[C@@H]1c1ccc(C#N)cc1 1849832723 UJWLVDGMKLCZLV-PMACEKPBSA-N 414.531 1.642 30 10 HDEE Cc1nn2c(C)c(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)cnc2c1C#N 1851423966 LSPUTORLESJKQI-SFHVURJKSA-N 404.474 1.849 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3ccc(C#N)nc3Br)C2)cc1=O 1852245591 DBCFGAXYSOTSSZ-LLVKDONJSA-N 417.267 1.665 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1852968821 NLNRFNVIUMPCCW-KRWDZBQOSA-N 409.939 1.709 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cn1 1853388734 RERYZFMAEIVGTO-MRXNPFEDSA-N 406.895 1.395 30 10 HDEE Cc1ccc(S(=O)(=O)NC(CN2CCSCC2)=NOCCN(C)C)c(C)c1 1853575330 JPQLCGLBKMKBGD-UHFFFAOYSA-N 414.597 1.522 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc3c(c2)OCO3)C1=O 1854131844 SOZFEAFLFCJAQZ-SJORKVTESA-N 413.474 1.655 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4cccnc4)CC3)C2=O)ccn1 1854152732 OVJJNXYLWNSORR-FQEVSTJZSA-N 404.474 1.297 30 10 HDEE C[C@@H](C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O)n1cccn1 1854202008 IASSMZLSZAVPBT-FXAWDEMLSA-N 406.490 1.261 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)CCc3c(C)nn(C)c3C)C2=O)CC1=O 1854861673 XACWKJUMIQPPBN-PKOBYXMFSA-N 415.538 1.063 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1=O 1855402048 LMFRUGPPGBWFSR-YOEHRIQHSA-N 404.492 1.340 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C[C@H]3CCOC3)nn2)CCN1Cc1ccc(C#N)cc1 1855592521 HCGWKWHFZICJCF-MAUKXSAKSA-N 408.462 1.059 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CCCN(C4COC4)CC3)C2=O)cc1C#N 1855618614 SJDUXBJITIDMIJ-OAQYLSRUSA-N 410.518 1.795 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CC(F)(F)C4)C(=O)C3)C2)s1 1856325701 LOTCZIMOCHLRPB-CQSZACIVSA-N 408.474 1.910 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)C1 1856959910 FKWPCMOXMJULSL-ZWKOTPCHSA-N 404.511 1.856 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857201087 ARSYEELZVYFBKM-KGLIPLIRSA-N 403.870 1.510 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCC(N4CCCC4=O)CC3)C2=O)ccn1 1857245093 VJOPSVDOVKOXTC-IBGZPJMESA-N 409.490 1.561 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857298432 BMXMVPVRWYPHOX-DNVCBOLYSA-N 407.474 1.337 30 10 HDEE Cc1ocnc1C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857380851 IHTWYSQSMXKTCD-INIZCTEOSA-N 408.462 1.451 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N1CCN(CCCC#N)CC1 1858633940 UUCIWMMKFILTIR-UHFFFAOYSA-N 406.508 1.432 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCCC2=O)=C(c2ccc(OC)c(OC)c2)C1=O 1863523392 FFDWEOKUIAGOPQ-UHFFFAOYSA-N 413.474 1.572 30 10 HDEE C=CCOc1cn(CCOCCO)c(CN(CCO)Cc2ccccc2)cc1=O 1870386836 GMILOSOWEWNHCE-UHFFFAOYSA-N 402.491 1.417 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCOCC1 1870571453 WSUWNNYSOYKWHI-UHFFFAOYSA-N 405.480 1.044 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707666 PXEDPKSQRWLVEU-BETUJISGSA-N 415.454 1.587 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)nc(Nc2ccc(O)cc2)[nH]1 1871717754 MJATZVMFKMDPMC-UHFFFAOYSA-N 411.510 1.665 30 10 HDEE COc1cccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 1873528929 KIOMUWNCBKZUOR-TUVHXFJTSA-N 412.855 1.417 30 10 HDEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873595284 WLCYXNBLVXTZCK-UHFFFAOYSA-N 422.533 1.908 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889007153 AOKWUOPNVIGLJV-VQTJNVASSA-N 400.548 1.691 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCOC1 1964099481 NGQNIZDQMJFIDY-PGRDOPGGSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1975561671 SWOSILOJEAQNEO-UHFFFAOYSA-N 408.304 1.650 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010401642 GLFNLWVKELQEFA-HUUCEWRRSA-N 423.363 1.994 30 10 HDEE C=CCn1ncc(NC[C@@H](CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2011521734 JYTGISZAUYPOCE-JTQLQIEISA-N 403.277 1.489 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2054405128 YRDGFKJPXXIZNG-MSOLQXFVSA-N 409.508 1.739 30 10 HDEE C#CCN(CCO)S(=O)(=O)c1c(N)cc(Br)cc1Br 2097961977 NZUVECPAWGOGSE-UHFFFAOYSA-N 412.103 1.410 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@H]1CO 2122384545 FZYJJYIELQFKOX-WCQYABFASA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@H]21 2199771932 BLLVZWJVGGRFFJ-LOWDOPEQSA-N 402.513 1.679 30 10 HDEE N#C[C@@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@H]1CCO2 2221962095 XZCXVXOHDXQBCU-AUUYWEPGSA-N 403.460 1.007 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2243384190 LSRZZZIZZPRWPY-OLZOCXBDSA-N 406.292 1.115 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247913797 ATDWEZSJQGORKV-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cn1cc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)nc1CNC(=O)OC(C)(C)C 2248413722 ZPZSGFHUUJEFJB-UHFFFAOYSA-N 418.303 1.809 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2ncc(Br)n2)C1 2255190589 VQCNFYSAPCYSHN-UHFFFAOYSA-N 412.288 1.464 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC[C@H](C#N)CC1)NC(=O)OCc1ccccc1 2270502929 XLRNYMPJWGBIOJ-RDJZCZTQSA-N 423.491 1.410 30 10 HDEE COc1ccc(C(=O)N2CCCC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2281819560 PSQCYDQBPILZAR-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3CC(N)(C(=O)O)C3)c2Cl)OC1(C)C 2281949182 GNQYWOMSBPMLSE-UHFFFAOYSA-N 400.693 1.375 30 10 HDEE CCN(C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2282205020 YPVOTHBXAJXNMI-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CC1(C)CN[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333482 PFJRFECKWDSXEX-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C 2282336878 HQTWFRIKCDEPOE-FRRDWIJNSA-N 400.375 1.807 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CCO)C3CCCC3)c2)OC1(C)C 2282414212 PNCCUHGIJGGABE-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H]2CCCS2)n1 2282496268 XZIVKEDTVKARHN-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CCO)C(F)F)OC1(C)C 2282505239 APYXQMXRMOALTD-LLVKDONJSA-N 411.301 1.483 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282571658 DHMVSVRWZHBPPY-DZGCQCFKSA-N 405.304 1.333 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@@H](O)CCO3)c2Cl)OC1(C)C 2282635647 DLXISSYOWVCJJB-QWRGUYRKSA-N 401.721 1.970 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1OCC[C@@H]1F 2282831781 DRBDHDAPUMEQLB-RYUDHWBXSA-N 405.322 1.761 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282834571 LKFKLYFGEVZPLG-SSINHNECSA-N 405.322 1.170 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](N)[C@@H](C(F)F)C3)s2)OC1(C)C 2282852223 MIWUQMUBZMQJTF-VHSXEESVSA-N 408.301 1.260 30 10 HDEE C=C(CS(=O)(=O)N1CCC2(CC1)CS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282872842 BYAUOWRSWWYBGJ-UHFFFAOYSA-N 405.347 1.014 30 10 HDEE CC(C)SC[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284377466 HRBJYSRRZVCYMZ-JTQLQIEISA-N 400.331 1.767 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NS(=O)(=O)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2284399632 MULHOQRAKWBQKZ-UHFFFAOYSA-N 423.387 1.681 30 10 HDEE CN(CCCCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284404455 YSKWLZPSPDROAU-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2286345846 RMBQNWKGIFFBQO-YJBOKZPZSA-N 403.545 1.806 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2ccco2)C1 2328074855 QOUZXDMZGBONBI-KSSFIOAISA-N 407.426 1.395 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@H]1CC[C@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2361580497 HDONTOFRZFFJRM-KBPBESRZSA-N 407.363 1.401 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2365203082 HLECKNRMWFXMMI-DOXZYTNZSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365207513 OZIJOJXICWFJTH-OAGGEKHMSA-N 402.557 1.409 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365211564 MOBYEBNBHMUKRD-JVPBZIDWSA-N 402.557 1.681 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)CCOCCF 2365573716 QVNRLYIOFNMJSE-UHFFFAOYSA-N 407.338 1.795 30 10 HDEE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368849827 UFZKWMCVXZFIBY-STQMWFEESA-N 400.375 1.840 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(C(=O)OC(C)C)cc2)CC1 27902510 GYRPRZAOUFWUIF-QGZVFWFLSA-N 416.522 1.499 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 46800363 GALHXYBNIXGLNR-CQSZACIVSA-N 405.480 1.905 30 10 HDEE CC(=O)c1sc(N/N=C(\C)N2S(=O)(=O)c3ccccc3S2(=O)=O)nc1C 48553779 IMJABGAKVQDKPO-MHWRWJLKSA-N 414.490 1.793 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 50555641 GJVVHMASEIXEKL-UHFFFAOYSA-N 415.475 1.778 30 10 HDEE C#CCOC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 56923171 PHIHVYXRDJFTPX-KRWDZBQOSA-N 406.504 1.210 30 10 HDEE CN1C(=O)/C(=C/Nc2c(Cl)cccc2Cl)C(=O)c2c1n(C)c(=O)n(C)c2=O 106950045 GFIPUCBTGVMASL-BQYQJAHWSA-N 409.229 1.546 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)Cn2cnc3ccccc3c2=O)CC1 238822686 DAIZAUXFJHTACF-SHTZXODSSA-N 404.430 1.565 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 410217272 GUWYRDGMSHUXNX-DOTOQJQBSA-N 423.514 1.247 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 443748667 WDZRZPDNGGPENL-ZDUSSCGKSA-N 402.436 1.297 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCCc2c1cccc2S(N)(=O)=O 463800818 RFPFWCFGROIUKR-UHFFFAOYSA-N 407.473 1.356 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1F 477492405 ITEFTDAQQCVMBB-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 483526258 CRWNCNSLKJVZRS-DYVFJYSZSA-N 420.491 1.274 30 10 HDEE Cn1cnc(C(=O)N2CC(F)(F)C[C@]3(CCCN(c4cccc(C#N)c4)C3=O)C2)n1 503717760 BEJUKSLRSHQILB-LJQANCHMSA-N 414.416 1.981 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507554344 UWALKSVQWBZRRL-UZLBHIALSA-N 423.517 1.255 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 508937080 BJGXZTDWGDXGQQ-ZDUSSCGKSA-N 412.541 1.198 30 10 HDEE COC(C)(C)CS(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 518258926 ZXMGGMCHZRBTCD-UHFFFAOYSA-N 409.487 1.742 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccccn2)c2ccccc2OC)CC1 534843698 QBFHMHBAPBQCEN-QFIPXVFZSA-N 423.517 1.809 30 10 HDEE Cn1nnc2ccc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc21 543538268 OSCWYGOAOLWIIB-UHFFFAOYSA-N 400.446 1.970 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NS(=O)(=O)CC3(C#N)CCCC3)C2)cc1 544727733 OVYFYSHTQJLNSS-UHFFFAOYSA-N 413.521 1.071 30 10 HDEE COC[C@@H](C(N)=O)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 555576604 YSUIYTMRABSSJS-KRWDZBQOSA-N 401.442 1.476 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 557171566 BEEVGDWMUOLIDK-MRXNPFEDSA-N 406.508 1.399 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCN(CC(F)(F)F)C(=O)C1)c1ccccc1 557676779 KLAWDXMQBZHMIJ-UHFFFAOYSA-N 410.396 1.947 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 558883926 VKKHGLRNDWSTEW-INIZCTEOSA-N 421.457 1.834 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Oc1ccc(Br)cc1 560843333 JEWHETJKWAPGHY-ZWNOBZJWSA-N 422.239 1.210 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 561433339 VOLNWRXZSBWMEP-INIZCTEOSA-N 411.412 1.933 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C#N)ccn2)c1 562859995 XQHCMODGXNUCCO-UHFFFAOYSA-N 401.492 1.826 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 569829763 NFDFHTKXLPVGFX-CVEARBPZSA-N 403.508 1.809 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F 574940184 XVVBZMIDNBBLJV-OAHLLOKOSA-N 401.414 1.971 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1COc2ccc(F)cc2C1 589530496 IVMHCXSPZWSOMX-BLLLJJGKSA-N 403.435 1.484 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603797972 HLWOZOJNHDRXMA-KRWDZBQOSA-N 409.511 1.214 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@@H]1CCCO1 603798463 MIARIKKNVOIDJS-KRWDZBQOSA-N 409.511 1.203 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2n[nH]cc2c1 608810728 LZKKZDCCVWOXIM-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 726575093 PUHXPQFRIJHCFA-TZMCWYRMSA-N 417.556 1.972 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 728874180 BROURIILYOCZLC-UHFFFAOYSA-N 424.523 1.536 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732697497 ZVSWBLKISIAQEH-QGZVFWFLSA-N 403.508 1.697 30 10 HDEE CN(C)c1ncc(Br)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 733260479 HFXVOWUTXIEPTN-SSZFMOIBSA-N 408.256 1.166 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnccn1 735479942 FNGCTXOOOYHWEY-MRXNPFEDSA-N 401.492 1.733 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@H](O)C(F)(F)F 735830237 PRTZOZGQLKDJBB-GXTWGEPZSA-N 421.441 1.713 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3CCN(C(C)C)CC3)cc2C1=O 741824951 BVOCVWRXMYFQGT-UHFFFAOYSA-N 413.474 1.614 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 755201606 DMOSXIGCZOBHAU-OIISXLGYSA-N 421.519 1.300 30 10 HDEE Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1N(C)C 755552503 NKGYCJYKRPLCNW-GOEBONIOSA-N 415.494 1.875 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(CC)cc2[N+](=O)[O-])c1 756666828 SGMJCCBVPSJGBO-UHFFFAOYSA-N 411.418 1.298 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)c1 756976764 ZFPSGVAOEXMFJP-APWZRJJASA-N 413.522 1.912 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)O)Cc2ccc(F)c(F)c2)c1 762088700 RTWBDUJBTLYQCG-UHFFFAOYSA-N 422.409 1.603 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@]2(CCO)CCOC2)c1 762214546 PNIYFRKTAOMENT-WXNAFCGMSA-N 424.523 1.410 30 10 HDEE Cn1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 765548963 VNPWDSMIQLHQBY-XGIGFIBQSA-N 412.519 1.527 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767953656 USFVRAKXZQJYJF-INIZCTEOSA-N 415.515 1.326 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc(F)ccc1Br 771945984 FZJAFUVDMVSNOO-YPKPFQOOSA-N 418.244 1.393 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 772945842 ZHHZDAQGXILSFC-ZBFHGGJFSA-N 407.492 1.195 30 10 HDEE C#CCN(C(=O)Nc1cccc(NS(=O)(=O)CCC)c1)[C@@H]1CCS(=O)(=O)C1 774042085 GPWMJRGSKWUAPS-MRXNPFEDSA-N 413.521 1.493 30 10 HDEE C#CCN(C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774048284 LMHNJNVHSWMBGM-APWZRJJASA-N 405.520 1.734 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCC(C)(C)O)C1=O 774267412 URWCIPAYAYGHSD-INIZCTEOSA-N 406.552 1.847 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 779753057 UOGKHTNPJBEACC-QWHCGFSZSA-N 413.478 1.102 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C[C@@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 780564610 CDZRRUGGQOLPNA-NHCUHLMSSA-N 422.533 1.447 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(N=Cc3c(Br)cnn3C)C2=O)c1 782168580 IZHCIEHPVSOGSK-INIZCTEOSA-N 406.240 1.992 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC2(CC2)C1 782844582 AIIDKRHNTNEIRW-MRXNPFEDSA-N 405.520 1.923 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 783058376 XLZBAVQFHBEEFE-UHFFFAOYSA-N 405.473 1.088 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 784120113 YEGBNJRHRVHRCJ-GOSISDBHSA-N 416.547 1.644 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NC(=O)c2ccc(Cl)cc2)n1 788815238 NSNIQJPCBWZOSS-HNNXBMFYSA-N 402.882 1.963 30 10 HDEE Cc1cc(C)c(N2CC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)c(C)c1 789895157 QSKFCYCIQRECPZ-YGCDDZCOSA-N 410.474 1.750 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n1 790109200 PSAFYOPRHQCVFV-OAHLLOKOSA-N 407.467 1.493 30 10 HDEE C=CC[C@@]1(C(=O)NCC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790663598 ZQUBKYXDMBZCFO-IBGZPJMESA-N 416.540 1.388 30 10 HDEE Cc1cnn(CCOC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 791480917 FVNLKYKARAYGRK-MRXNPFEDSA-N 404.492 1.888 30 10 HDEE CC1(C)NC(=O)CCC1=NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 792868011 AYQFXXHQZXPEQP-UHFFFAOYSA-N 409.468 1.836 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1cc(Cl)c(Br)s1)n1cnc(C#N)n1 798841433 IJARXXQAXSLGLA-YFKPBYRVSA-N 424.689 1.693 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 800167340 GWNIMSGTISWGFT-MRXNPFEDSA-N 409.512 1.766 30 10 HDEE C[C@@H](CC(=O)NC[C@@H](O)Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 805274262 NVBZGPREGNMGEF-HOCLYGCPSA-N 401.488 1.224 30 10 HDEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 805879168 DISVIWMUWQCZIC-YRGRVCCFSA-N 405.528 1.445 30 10 HDEE C#CCN(C)c1cnc(-c2noc(CN3C(=O)N(C)C4(CCCCC4)C3=O)n2)cn1 813342645 VROGQITYWJJMBF-UHFFFAOYSA-N 409.450 1.693 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)CC(C)(C)C#N 814670204 NUFZMDDAFIDSEX-ZROIWOOFSA-N 404.536 1.613 30 10 HDEE COc1ccc(C(=O)COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 821693312 DDCUOKQLXNUXTQ-UHFFFAOYSA-N 418.427 1.168 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 916775549 WGGFFJDEBWGNBW-KCXAZCMYSA-N 403.460 1.068 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 1135645711 KEADMKVGBQACFR-CZUORRHYSA-N 409.508 1.818 30 10 HDEE Cc1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1136653233 PCKQFSMUVBOJRU-KRWDZBQOSA-N 401.360 1.660 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1140739480 KRZBPTNZWJCBFG-AOMKIAJQSA-N 404.426 1.166 30 10 HDEE CC(C)N1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1143041415 STABBQNNLITBLW-HNNXBMFYSA-N 405.296 1.882 30 10 HDEE CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(C)(C)C 1144026138 XNRYCNKVIXEBHS-ZWKOTPCHSA-N 411.506 1.952 30 10 HDEE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1161372292 DIAHMEWHEMYXGX-JSQNDZKTSA-N 405.476 1.025 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1cccs1)C(C)(C)CO)c1cc[nH]n1 1163449737 WIVMZWWTXHOXFR-MRXNPFEDSA-N 408.480 1.631 30 10 HDEE C[C@](CO)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1163966753 FYTSSQSOFLDCIO-HXUWFJFHSA-N 401.488 1.529 30 10 HDEE COc1cc(C(=O)N2NC(=O)C[C@@]23CCN(C(=O)OC(C)(C)C)C3)ccc1C#N 1165823861 UHGBMFZZHYONNU-HXUWFJFHSA-N 400.435 1.824 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1189756010 SANUYFSHIWPUPL-AEFFLSMTSA-N 416.565 1.776 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1191582563 FILKLBORZDUOBT-CADBVGFASA-N 424.519 1.533 30 10 HDEE CN(C)CC#CCNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1251100844 BQZUYXLWKSKLCH-UHFFFAOYSA-N 413.566 1.222 30 10 HDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCC#CCN(C)C)CC1 1251273386 VOUHNDBMGDJGJL-QGZVFWFLSA-N 420.579 1.480 30 10 HDEE CN1C(=O)[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)Cc2ccccc21 1252916259 KVZJGYWEWPZHFH-WOJBJXKFSA-N 403.486 1.994 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1270975427 XQRNICBFEGVYLC-LHQQFIGISA-N 401.551 1.829 30 10 HDEE C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C)COC 1278972120 QTQUMYUAXJTKIM-KRWDZBQOSA-N 410.536 1.690 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286347987 SFSGGVHPAFRWDC-UHFFFAOYSA-N 410.526 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(CC)cc1 1286399425 GVBTVLYYHRMBEU-KRWDZBQOSA-N 413.547 1.766 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCC(=O)NCc1ccccc1 1286407621 XQYBNWOOAWKIHQ-UHFFFAOYSA-N 401.474 1.458 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1286441380 XAXOPHOGNKMZRQ-IBGZPJMESA-N 422.493 1.576 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCC=C)CC1 1286483973 BQJYVWHOMWBQMV-UHFFFAOYSA-N 422.533 1.531 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1286726543 FXFXLSFUERQCQC-INIZCTEOSA-N 413.507 1.431 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@H](COC)C1 1286780762 QEWLGHIFQHCPIP-OALUTQOASA-N 413.522 1.974 30 10 HDEE CC(C)CCN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1287572766 FZEVHQBEBRPISX-FBMGVBCBSA-N 417.514 1.425 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1nc2ncc(Br)cn2n1)C(=O)OCC 1287775956 GFAYUHOFPYAMCP-SECBINFHSA-N 402.636 1.691 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCC23CC(CN2C(=O)OC(C)(C)C)C3)CC1 1297520394 XNCOEPPBLQYMIN-UHFFFAOYSA-N 418.538 1.060 30 10 HDEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1298087843 CUWHBECIMRTHFA-FQEVSTJZSA-N 403.531 1.222 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)c1 1299113386 YTEFYYVLTWKQMQ-SFHVURJKSA-N 409.471 1.578 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1300309307 GPFFZBFNCPYUAQ-LSDHHAIUSA-N 415.585 1.212 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300485712 YLLRXTMEMNSMSC-QGZVFWFLSA-N 418.519 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@H]1C 1300578145 IBMBCVPORWGASH-KPDCDPCYSA-N 422.485 1.793 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1300622346 WBYIIHGXLZOWLY-KRWDZBQOSA-N 402.543 1.578 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301141378 LQJMXGWSGNYODR-QGZVFWFLSA-N 408.506 1.694 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301186147 REOLRUWIOIABEM-QGZVFWFLSA-N 417.558 1.232 30 10 HDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1301257488 AHQYHZOAGXPZQC-CVEARBPZSA-N 413.544 1.050 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1302450839 WNYYQHGSQYCUBD-JKSUJKDBSA-N 411.528 1.463 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1303011298 GLENQCJMQVOUJJ-KRWDZBQOSA-N 409.494 1.844 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)CC1 1303011844 UFYPJARRBMWUNR-KRWDZBQOSA-N 422.555 1.338 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1303792812 QWQNGHYBRFNCBL-MIGQKNRLSA-N 411.424 1.186 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1305560736 IKLQSDSTUQPIJK-BETUJISGSA-N 422.507 1.287 30 10 HDEE N#C[C@@]12CN(C[C@H](O)COc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1308098970 CIRFMJJECZUKFG-DZKIICNBSA-N 404.410 1.315 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 1309773818 JTNAAXPHEJLWRM-UHFFFAOYSA-N 404.307 1.960 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CC1 1312824746 UPODQDRSZAZTCW-UHFFFAOYSA-N 423.517 1.952 30 10 HDEE CCOCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1314466400 PNIMMEQIQWWORK-HTXNQAPBSA-N 411.466 1.339 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1323594250 BLCLMIAQFBKNHR-FSPWUOQZSA-N 400.497 1.101 30 10 HDEE C#CCN(CC#C)c1nnc(CC)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358979399 LIDHKLYORDPIKW-BZSNNMDCSA-N 413.522 1.938 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCC2)CC1 1359036898 NOYZLUOLRMINLU-UHFFFAOYSA-N 407.566 1.895 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1359133518 UENCBSZJERNREX-MOPGFXCFSA-N 407.559 1.922 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1359227452 BOVOZFUXSSDDGM-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1359270350 LVPLMPMPQBCLEE-UHFFFAOYSA-N 421.505 1.942 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1359276041 PIRVASNDDCOCTO-IERDGZPVSA-N 417.510 1.784 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](COC)C1 1359296543 MKATZKPTHBKWJZ-QGZVFWFLSA-N 401.467 1.108 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1C(C)(C)C 1359335467 MGTCACDGUPVFFK-OAHLLOKOSA-N 424.571 1.217 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)c1 1449788803 PBEYJUZFBFFWCO-UHFFFAOYSA-N 401.463 1.980 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](CCO)CC3)CC2)cc1 1451673846 GLHHGNHREYMTTD-KRWDZBQOSA-N 419.547 1.970 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1455205679 SPBWZLLWFDKBSP-MRXNPFEDSA-N 424.519 1.317 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(C)(C)C 1456215550 MEAPPYHKGKAKSX-KSMMKXTCSA-N 413.540 1.713 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC12CN(C(=O)OC(C)(C)C)C2 1456297907 XRICXDBJZNAQCL-AWEZNQCLSA-N 403.479 1.939 30 10 HDEE C=CCn1c(SCC(=O)NC[C@@H](O)CO)nnc1-c1ccc(Cl)cc1Cl 1456732979 RKTIMWHUNMZKFJ-LLVKDONJSA-N 417.318 1.999 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1 1462738570 VMFAIBFRRRXLOT-UHFFFAOYSA-N 401.463 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1463793895 HXUJTJUNBUPQLI-IAGOWNOFSA-N 406.458 1.420 30 10 HDEE C=C(C)Cn1c(SCC(=O)NC[C@@H]2CCN(C(N)=O)C2)nnc1-c1ccco1 1467853896 GNRRVFVDAJVSDI-ZDUSSCGKSA-N 404.496 1.723 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1469368355 SAMXQGXEDNPYTK-BDXSIMOUSA-N 424.563 1.919 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)C1 1469728383 GOKJXBAVIPFPSD-OIYCOIKZSA-N 412.512 1.153 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1470958775 GFTSDXPBRWZVGO-KXSVDRQTSA-N 408.495 1.577 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 1472305190 HAXWNAQSNRQCNM-SZMVWBNQSA-N 405.520 1.890 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)C1=O 1476921104 XYXNMFAPPQTCFP-HYDGNGQDSA-N 421.523 1.652 30 10 HDEE Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)c1 1492471105 FJZPMASDTSSPSG-MRXNPFEDSA-N 411.510 1.893 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1502347049 SVKZUHWTRMQIHW-OPYAIIAOSA-N 419.549 1.845 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1503362166 RQPFHJWFAVSBHQ-MSOLQXFVSA-N 421.505 1.400 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507622290 CYYQUWCSUQTBEY-INIZCTEOSA-N 423.583 1.725 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507634315 JSFLDHRWZQKZFV-AEFFLSMTSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1507667853 SOXQRIDOKQSCBE-MRXNPFEDSA-N 412.881 1.820 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1507697570 BMLXPFNMVBZLRP-UHFFFAOYSA-N 424.549 1.789 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1COCCO1 1507713990 FQYGTVMLYRLOHZ-SFHVURJKSA-N 404.442 1.498 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507751959 QNAKIBQOZCQROQ-WBVHZDCISA-N 405.568 1.889 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(OC)ccc1OC 1507830267 YLKKKLXCYZBYNR-KRWDZBQOSA-N 415.494 1.821 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1 1507914296 JZEYSKDTCXAZIX-AWEZNQCLSA-N 409.560 1.861 30 10 HDEE C=CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1508167429 IZPYWMHCMJPLSV-UXHICEINSA-N 423.583 1.812 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1511968490 GEDGEBRCLPFUGU-HNNXBMFYSA-N 405.466 1.165 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1512564284 GTKOGUUPMSCDBV-OFXSGMSSSA-N 418.523 1.250 30 10 HDEE CN(C)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1516999259 UDFYAIBXJDVJRN-KRWDZBQOSA-N 416.551 1.770 30 10 HDEE COC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1)OC 1518726570 DFLOBZZXPNAVLE-GZRFBZBPSA-N 417.441 1.894 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 1533085056 IFADHZWPFOIXOO-OAHLLOKOSA-N 409.533 1.408 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1536221289 UOPUKWYRUZEEHK-FQEVSTJZSA-N 423.535 1.183 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1538911183 CTJPMAUCECEHNW-UHFFFAOYSA-N 400.884 1.682 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1539085678 PCESSUPVFYUTTI-SJORKVTESA-N 418.542 1.197 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)(C)C)CC1 1539126147 SZBCVLXBTIPXOD-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539219879 OBVDKUDZPRHGLC-BZSNNMDCSA-N 424.567 1.155 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1539225859 QYOLPFJEYAFCML-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCC1 1539260307 NTEFTHDTVTXDLE-UHFFFAOYSA-N 416.485 1.663 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C 1539396855 SBZNOIGYSVICKB-HKUYNNGSSA-N 424.505 1.993 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539441816 VWGJIDKJXBYTRZ-IIBYNOLFSA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC)CC1 1539454684 XYBMJQCHGGHOLM-UHFFFAOYSA-N 407.565 1.120 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539608654 BZPMOEPRRAZIKO-NWDGAFQWSA-N 409.350 1.981 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539849005 SNTCIXWCPKEZTH-SJORKVTESA-N 409.556 1.610 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539965971 CQAYPCVTGFEDBS-ZWKOTPCHSA-N 423.583 1.841 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccccc1Br 1540033149 YWWHGZSLALKDDT-SKDRFNHKSA-N 405.212 1.144 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2OCC[C@H]2C)C1 1540884963 YUNRVOMXJAHISG-KLHDSHLOSA-N 413.544 1.095 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1542790044 QBTGBYHITFYVSW-DHZHZOJOSA-N 420.448 1.728 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(-c3ccccc3)c2C(F)F)CC1 1542894824 ODKURZPZSZABLI-UHFFFAOYSA-N 415.444 1.707 30 10 HDEE C#CCN(CC(=O)NCc1ccc(OCC(N)=O)c(OC)c1)C(=O)OC(C)(C)C 1543042130 VIZAYMBBOUVWCK-UHFFFAOYSA-N 405.451 1.046 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OCC 1544338404 DSVKRJDCOYMACQ-LBPRGKRZSA-N 411.798 1.511 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOCC2)CC1=O 1555574338 FPINKTQEIXKOTJ-QGZVFWFLSA-N 410.478 1.148 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)cc1 1558147282 DWLSDQQYEAJFAE-QGZVFWFLSA-N 408.520 1.857 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 1558264776 ZOPZEMILHCSWGO-HIFRSBDPSA-N 404.410 1.828 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N(CCN2CCN(C)CC2)CC(=O)OC)cc1 1561512308 UYNMRSGENRLRNX-UHFFFAOYSA-N 409.552 1.216 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C2 1564648289 TWORENSVGWKPTR-MRXNPFEDSA-N 420.441 1.581 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCOC3CCSCC3)C2=O)cc1 1564689228 FDSFDROYJAKSOK-SFHVURJKSA-N 402.520 1.871 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1565470444 FFGGXRSLFZWTIM-WKILWMFISA-N 400.483 1.841 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C=C 1574373357 MZGNYZICBBEQJZ-NRKLIOEPSA-N 404.511 1.089 30 10 HDEE C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1586113783 VXDOIJCQZIQANV-OAHLLOKOSA-N 412.508 1.379 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCC[C@]23NC(=O)N(C)C3=O)CN(C(=O)OC(C)(C)C)C1 1587498639 QAXFUBHAVMCVMP-SZNDQCEHSA-N 420.510 1.636 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1587705757 ICUAJPBAZNQLAG-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1587909869 WMJXILZPISGMLX-MRXNPFEDSA-N 404.540 1.090 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc(Br)cn1 1588012105 WGEWFKZVYNPJOI-UHFFFAOYSA-N 417.315 1.868 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC=CO1 1588109356 CTNFAFCMHJYFJR-IBGZPJMESA-N 400.446 1.686 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1COCCO1 1588549948 DCQOOWCGOFXNHR-PKOBYXMFSA-N 400.454 1.976 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@H]2C)CC1 1588923626 HAUABMJELXWRDL-AEFFLSMTSA-N 423.521 1.374 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1593691486 WMGOHKWRSZIHGJ-YJBOKZPZSA-N 407.515 1.310 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1593752221 DXYXYFFFFOIOEZ-INIZCTEOSA-N 411.514 1.586 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1595687587 AMKGKPUNPNMVEN-GOSISDBHSA-N 405.466 1.675 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039383 LMLLUKNZXDNAQF-QGZVFWFLSA-N 408.543 1.422 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2nccs2)n1Cc1ccc(C#N)o1 1611666170 NQTMRZMGVULETO-LLVKDONJSA-N 421.508 1.494 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1611770594 AFGSTSBWERTBDW-IQUTYRLHSA-N 401.471 1.248 30 10 HDEE C#CCC1(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1617293220 GLOPJJGEHOHKKY-UHFFFAOYSA-N 406.504 1.321 30 10 HDEE CN(C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1617675284 GIUIWBRCZNPNJD-FQEVSTJZSA-N 414.489 1.955 30 10 HDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCC1 1619048917 BJGVOXFUYMMEAG-AWEZNQCLSA-N 410.544 1.587 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccsc3)CC2)c1 1626276940 DYAAFRZUQKFMON-UHFFFAOYSA-N 421.475 1.783 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Nc3nc(C)cc(C)n3)ccc2O)CC1 1626966359 AHPCSOKVAGTINR-UHFFFAOYSA-N 422.489 1.050 30 10 HDEE C=C(CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1629240688 RDXSRFUTPKLLLV-UHFFFAOYSA-N 407.879 1.547 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](OC)c1ccccc1Cl)c1cc[nH]n1 1629864905 NCFKMRHXDOKCAZ-OAHLLOKOSA-N 408.842 1.851 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)c(F)cc1O 1631463543 MEPJDALGNIWXPF-UHFFFAOYSA-N 400.248 1.982 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 1633523121 YRIFJTUNFDBRNB-KBXCAEBGSA-N 401.529 1.486 30 10 HDEE C=CCC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1636816592 KILUUMGMNDMARO-HNNXBMFYSA-N 407.492 1.519 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3oc(CN4CCCC4)nc3c2)C1=O 1641528129 KAIGLAZBFJIXBI-UHFFFAOYSA-N 411.418 1.339 30 10 HDEE CN1Cc2ccccc2[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1641677976 ZJRYCNDFDVZPFR-KRWDZBQOSA-N 401.419 1.566 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)CCOC1 1641763883 NTKGKJOPXMDBMK-OAQYLSRUSA-N 410.430 1.303 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1 1641923334 GWXQTWKKGUIPBV-LLVKDONJSA-N 407.389 1.879 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC 1642684192 YJXZVLYRYFSKPP-WFASDCNBSA-N 413.883 1.416 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2 1643855554 VADGAKNFQMEYOR-UHFFFAOYSA-N 421.519 1.539 30 10 HDEE C=CCC1(O)CN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1651763924 LTXYGNYHOLQSFY-UHFFFAOYSA-N 418.519 1.219 30 10 HDEE CC(C)(NCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1 1655043252 UUXINNZEDABWRB-UHFFFAOYSA-N 414.531 1.779 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCc2c(sc(N)c2C#N)C1)[C@H]1CCS(=O)(=O)C1 1655797232 PJQGFYZFUWRKRR-OLZOCXBDSA-N 410.565 1.374 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 1657443111 HTKONHFRGULRHG-CHWSQXEVSA-N 403.526 1.476 30 10 HDEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCOCC1 1658401864 UKECMUKDZWEKPX-IAGOWNOFSA-N 422.323 1.993 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1660495179 SUCXMHRWEJGDIS-QYZOEREBSA-N 405.458 1.891 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1665602354 AHUKWJKXSONWQK-UHFFFAOYSA-N 416.565 1.809 30 10 HDEE CN(C)CC1(O)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1665661806 AKCGOCDHBSOJHT-UHFFFAOYSA-N 402.314 1.398 30 10 HDEE C=CCN(C(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)[C@H](C)COC 1674589543 BVEZLKKPLNOCEF-CYBMUJFWSA-N 409.487 1.939 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)n1 1675449845 GMSPABRWFXWNDS-QGZVFWFLSA-N 408.462 1.909 30 10 HDEE COC(=O)c1cnc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)s1 1676097801 XAIQNLVITAPTRO-ZDUSSCGKSA-N 400.464 1.982 30 10 HDEE C#C[C@H](NC(=O)NCCS(=O)(=O)NC(C)C)c1ccc(Br)cc1 1676118878 DUGVMSRSYACKAD-AWEZNQCLSA-N 402.314 1.750 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)nn1 1680276730 VAUAGEBMAIDUDC-QGZVFWFLSA-N 404.421 1.733 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 1682953945 WRMLXYPTVKGYNI-HNNXBMFYSA-N 402.524 1.741 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1683129749 DJJHXYWLYUFEJQ-BEFAXECRSA-N 403.479 1.879 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3nc(CN(C)C)cs3)CC2)c1C#N 1685259985 NUCJAGGWEIPVFP-UHFFFAOYSA-N 405.553 1.873 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H]3CCCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1685976714 QRMBSIFOWFSDPO-DOXZYTNZSA-N 406.483 1.374 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)C1 1687593553 TUIQSGHJNAYVEO-UWJYYQICSA-N 406.527 1.505 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1689826031 HATPVPARUMEKQW-QWHCGFSZSA-N 410.569 1.974 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1689867651 VJNKIYXAGRZAQV-XFQAVAEZSA-N 419.526 1.959 30 10 HDEE C#CCN(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1689972132 FWLMWBMCKUOJNJ-QZQOTICOSA-N 404.474 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)CC)CC1 1690139999 HXAFQNOWFCBNKN-HSZRJFAPSA-N 420.517 1.944 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1690206298 NBKGTEMHUXGDOA-YLJYHZDGSA-N 421.567 1.959 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1690265144 KVYBJOSJVYOUSD-GJZGRUSLSA-N 416.569 1.017 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCc2nccn2C1 1690609145 FCWZWUXUARROMY-QGZVFWFLSA-N 413.526 1.612 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1690663864 GZUJMTOVUWVQTO-JOCHJYFZSA-N 411.506 1.805 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OCC)CC1 1690666644 BMJQVPTWMVJASV-UHFFFAOYSA-N 423.477 1.397 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(C)C)CC1 1690673112 ONXVQZLBNZNMLT-UHFFFAOYSA-N 424.549 1.784 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1C(C)(C)C 1690677186 QIMBYTNGJSUEMR-IRXDYDNUSA-N 404.559 1.425 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)CC1 1692849172 BICXHOCRYMJDAR-UHFFFAOYSA-N 413.482 1.454 30 10 HDEE COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1697882946 KUIAEJYETXTXTF-RHSMWYFYSA-N 414.466 1.267 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492852 GISVTSRYFVAFCK-FUHWJXTLSA-N 412.469 1.758 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCC(F)(F)C1 1698520396 JQVRDGULAWGXAA-BMRADRMJSA-N 415.404 1.712 30 10 HDEE CC(C)C#CC(=O)N[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1702748849 NEVHXQRVVNMNDP-KKEPMVJESA-N 400.519 1.583 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705508201 RNYWGMQCEXVVHE-LJQANCHMSA-N 414.554 1.476 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2COC)CC1 1705637571 CONYQFOYGBDOPF-UHFFFAOYSA-N 403.490 1.685 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@@H]2CCOC2)CC1 1705639334 MATVBPLIMNFCAG-PMACEKPBSA-N 417.554 1.718 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1705678557 GYDBCLRTBTVKLR-GPMSIDNRSA-N 407.540 1.546 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705747997 ZKHLBXBCCCFFEK-AWEZNQCLSA-N 424.933 1.052 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC(C)C 1705883239 AVLLBPYPPWNKTG-UHFFFAOYSA-N 404.471 1.169 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1711159500 MLPYBVRRTSXOFO-RAJOGRCSSA-N 416.526 1.866 30 10 HDEE CN1C[C@](C)(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1=O 1711272319 OXIHMLOTBGRZOT-OAQYLSRUSA-N 409.494 1.589 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1711510025 BAXDECPBIRTLRP-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1722294078 FYGUZRSDVBFHLV-ZIAGYGMSSA-N 424.473 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@@H]1C 1722386963 DAMGSGNSWKUTOU-HTAPYJJXSA-N 406.490 1.939 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC(OCC)C1 1722423735 NEUHLWFRPAQMGG-UHFFFAOYSA-N 409.490 1.833 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@](C)(O)c2ccccc2)CC1 1722436831 LSMJVCZWDCFNBQ-WMZHIEFXSA-N 422.533 1.282 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1722448356 SMMYSGMTJWQEEE-ZWKOTPCHSA-N 417.554 1.809 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722502844 AUDYIGJSFAPZNH-NXHRZFHOSA-N 412.494 1.273 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1722701342 NTUSKNKMAHGLBM-UHFFFAOYSA-N 400.527 1.420 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1722703982 NHDOHURDJOSGDQ-WOYCLPQFSA-N 419.526 1.094 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCSCC2)C1 1724014384 BFALCPOXRJJUOX-HXUWFJFHSA-N 417.583 1.579 30 10 HDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1729341691 BMEZOBFDGFAODL-UHFFFAOYSA-N 414.510 1.534 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1730785119 DZSHACSDZUPKLF-JOCHJYFZSA-N 412.538 1.992 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1740589340 WCOGIPXRIIXBIU-UHFFFAOYSA-N 415.501 1.361 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1740639282 RYDNZTZMMPARKU-MRXNPFEDSA-N 414.510 1.607 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 1740640270 JGVHFLPPRWTAGN-WIYYLYMNSA-N 410.499 1.731 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(C(=O)NCC)CCC1 1740684950 GOQRMAHGJBKJKD-KRWDZBQOSA-N 403.527 1.565 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740698554 XCTWGDQBOMOKEP-OAQYLSRUSA-N 409.582 1.995 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(C)=O)C1 1740723467 QGLDRVFQUUWRKM-KSZLIROESA-N 421.567 1.473 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)CC(=O)N1CCOCC1 1740763738 PKEADGBTTIBWCV-XLIONFOSSA-N 403.527 1.507 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC)C1)c1ccccc1 1740800108 HCXRFJFJCYPUHP-LJQANCHMSA-N 411.506 1.966 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1740877266 ZMCFHAZJRFLHTE-CQSZACIVSA-N 404.558 1.017 30 10 HDEE CCCNC(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745782433 CQAJUPBKQRIOQG-OAHLLOKOSA-N 423.525 1.449 30 10 HDEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1745918617 AOWHWDLCRCVEOJ-VXPUYCOJSA-N 421.461 1.711 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1748671502 JVQZXTFIQVVNKP-QKLQHJQFSA-N 411.506 1.969 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748746045 YGWPFTDKCSGTDV-UHFFFAOYSA-N 404.478 1.507 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)COC 1748776542 KCIIBJHLUAPQIO-UHFFFAOYSA-N 419.551 1.937 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748811114 BUNGDKOJZUKGEQ-WBVHZDCISA-N 417.535 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CC1(C(N)=O)CCOCC1 1748848588 KHJBVZVVNYOFOL-UHFFFAOYSA-N 405.502 1.532 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC 1748857552 CTERSHTVKUOBJX-SFHVURJKSA-N 407.474 1.636 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCOc1ncccc1Cl 1748962704 OYSJJPSYRALPEP-OAHLLOKOSA-N 405.886 1.995 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1748965423 SJDBYRJRHSTGQS-OAQYLSRUSA-N 417.941 1.675 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(O)(CC)CC)CC1 1749019462 VHIFQSQKXPIJJO-QGZVFWFLSA-N 403.527 1.647 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749027722 STLDVUBCGAGRND-ROUUACIJSA-N 406.515 1.898 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(=O)N2)CC1 1749330839 PRYRFOMZNPMHAA-DYESRHJHSA-N 403.527 2.000 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)NC 1749466862 APUCMSANZLOKTC-UHFFFAOYSA-N 417.333 1.218 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1749484437 ACBZNWNBDJFMLK-LJQANCHMSA-N 410.522 1.732 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@@]1(O)CCS(=O)(=O)C1 1749537463 HICUEPRWJURCKO-FQEVSTJZSA-N 420.535 1.557 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)C1 1749694033 OGQYMTGRMZCEOG-INIZCTEOSA-N 418.498 1.138 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1750970524 UBSSGYBJMHFZDP-INIZCTEOSA-N 402.499 1.352 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1=CCCOC1 1751218327 FYJLHDDTPOHMAG-KSSFIOAISA-N 408.528 1.365 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760170812 AXPDNGFKGQNRSN-LBPRGKRZSA-N 412.441 1.459 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760190218 YUBXAANFEIDJMV-AEFFLSMTSA-N 418.494 1.596 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(CO)nn1 1760227168 WPQWRSARRGBGBY-UHFFFAOYSA-N 410.438 1.487 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1760248079 ZYPKASRRDAIMSI-OAHLLOKOSA-N 423.443 1.705 30 10 HDEE C=C(Br)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C(C)(C)C 1760314650 PVGPQDJYFKPORL-VXGBXAGGSA-N 401.305 1.844 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760358457 WCIRCKYVFOUUDF-PMACEKPBSA-N 419.570 1.923 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1760441142 YXBQVUCRKDQIMK-MRXNPFEDSA-N 409.556 1.628 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1nnc2n1CCCCC2 1760502591 FHLZIMKYYVSITC-UHFFFAOYSA-N 423.525 1.935 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCc2c(ccnc2O)C1 1760525202 XNQVOBPAHFZLGQ-UHFFFAOYSA-N 422.464 1.974 30 10 HDEE CC(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761111586 DVNVHVUCDKKLSQ-CABCVRRESA-N 409.498 1.262 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCOC2)CCOC1 1761284918 FKKOOBUWFHNMGP-QHAWAJNXSA-N 419.526 1.600 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1761544558 GWBBWJZHRBKNFO-YLJYHZDGSA-N 414.535 1.829 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccn(CC)c1=O 1763112622 UECUFPKGAWFWIR-UHFFFAOYSA-N 418.505 1.664 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1 1767010531 BHSFFBLLSDTROE-UHFFFAOYSA-N 423.521 1.208 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)NCC#CCOc3ccc4c(c3)OCO4)cc12 1848659694 PYAUXBLFRMMVFD-UHFFFAOYSA-N 414.443 1.366 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccnc(C#N)c2)CC1 1850872893 NZCWTBYMHYPGLL-HXUWFJFHSA-N 419.485 1.915 30 10 HDEE CN1CC[C@H](c2ccc(F)cc2)[C@H](COC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1851849986 VISMTBWYXSVTRH-DOTOQJQBSA-N 400.410 1.238 30 10 HDEE C#CCN(C)C(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 1853216910 UAGMQIROFSWGDR-FQEVSTJZSA-N 421.501 1.802 30 10 HDEE Cc1ccc(F)c(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1853231765 WFSSUPLFBRPNTO-OAHLLOKOSA-N 408.437 1.498 30 10 HDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc21 1853644375 ZZSBBMKNDOIPQY-CRAIPNDOSA-N 418.519 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1853739280 PRZSUDJOWKXHSV-QGZVFWFLSA-N 404.511 1.997 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1853746789 NTBSGUVGDRMLAT-GOSISDBHSA-N 417.531 1.851 30 10 HDEE Cc1nnc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)o1 1854244271 NGWGLPJKUBDJKK-GOSISDBHSA-N 408.462 1.117 30 10 HDEE CN(CCN1CCN(Cc2ccccc2)CC1)[C@H]1CCCCN(C(=O)CC#N)C1=O 1854558717 UILDMNXLQNOOKQ-NRFANRHFSA-N 411.550 1.557 30 10 HDEE Cn1cc(CC(=O)N2CCC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)cn1 1855008183 CHMIUENCVFYKGY-LJQANCHMSA-N 406.490 1.626 30 10 HDEE CC(C)(C)CC(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098517 JGOZSQRJAUGYQZ-IBGZPJMESA-N 410.518 1.922 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(Cl)cc3)C(=O)O2)CC1 1856604119 SVSVJYBOTRVIMU-OAHLLOKOSA-N 411.867 1.866 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1856637802 WZQSGKOSHHZIKA-PKOBYXMFSA-N 417.531 1.835 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c(OC)cccc2OC)C1=O 1856748137 GMEQVXUBGGSBKK-CVEARBPZSA-N 415.490 1.554 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C)c(C)c3)C2)CC1=O 1856791939 LNNHLNDQXRWQER-HZPDHXFCSA-N 408.476 1.186 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccccc2C)C1)[C@@H]1CCN(C)C1=O 1857067257 FBAXZFLHANCYMO-RBUKOAKNSA-N 413.518 1.858 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2snnc2CCC)C1)[C@H]1CCN(C)C1=O 1857077026 UPELYHUDCMFRKC-HOCLYGCPSA-N 419.551 1.588 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)[C@@H](C)C1=O 1857125723 SIQWIJUECZSJIQ-GJZGRUSLSA-N 406.504 1.972 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)ncn1 1857291211 WJYWTVCMLFGHMS-GOSISDBHSA-N 405.458 1.784 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(CC)nn2C 1864323363 JGSHMMYVMZMNJW-SUMWQHHRSA-N 412.490 1.739 30 10 HDEE C=CCOc1ccccc1OCC(=O)N[C@H]1CCCCN1[C@@H]1C(=O)CSC1=O 1865934359 CMMGUBWYDRUVKS-IEBWSBKVSA-N 404.488 1.770 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN(C)CCO 1870337844 ORUJNDMOPADLCO-UHFFFAOYSA-N 415.490 1.875 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)CC1 1889450199 OQCYPYXHWYILNV-UHFFFAOYSA-N 422.573 1.979 30 10 HDEE C#CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074690560 KYLPITKUDKYJGI-SNARRRGMSA-N 408.476 1.031 30 10 HDEE N#Cc1cc(Br)ccc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118195796 ZHNOIFDPDLKWIX-KOLCDFICSA-N 419.201 1.679 30 10 HDEE CN(CCN(C)S(C)(=O)=O)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2172712372 XGKAUHNJTUNEFQ-UHFFFAOYSA-N 403.741 1.362 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2174781087 BQYDBLHALYMPEK-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE C=CC[C@@H](CO)CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2201843895 JKLIXHFIGZYMFI-KGLIPLIRSA-N 404.529 1.100 30 10 HDEE CC1(C)OB(c2csc(CN3CCC(NS(C)(=O)=O)CC3)c2)OC1(C)C 2235431397 QNSKIMJWKXLAON-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243383717 BQDHHBWAHVXEHF-RYUDHWBXSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386546 CBSFONYFBBZVTA-AAEUAGOBSA-N 406.292 1.352 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2243421374 JLTMNNPDHOSUPH-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813035 IPHFSEDXYAYDRQ-OLZOCXBDSA-N 418.303 1.543 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827922 KTQGRICJITWHKF-TZMCWYRMSA-N 420.319 1.694 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(C)(C)C 2258172436 IBBUZYWMQFHRIT-CVEARBPZSA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCc2csc(=N)[nH]2)OC1(C)C 2267717215 ZEQAHXDKZHUAFV-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269034699 CJJKCIQMVRYBFQ-UHFFFAOYSA-N 409.722 1.796 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCS(=O)(=O)C(C)(C)C)ns2)OC1(C)C 2282002761 SNUWMKGXCNXRJM-UHFFFAOYSA-N 402.347 1.385 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282322840 RIIBBDHEJMNYIU-NWDGAFQWSA-N 405.322 1.761 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@]1(C)CN 2282334460 BMRWPIWKGCQYKO-SJKOYZFVSA-N 400.375 1.653 30 10 HDEE C[C@@H]1SCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282508610 YQJHXKDYPUUWLS-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](CN)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282830855 ANAAOKFLQUUTAX-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282831254 HEYFXAUPULPFHI-VWLOTQADSA-N 421.777 1.686 30 10 HDEE CC(C)[C@](C)(O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836766 OSKXKBZMYIFQEC-MRXNPFEDSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](CO)C(F)(F)F)OC1(C)C 2282855355 CNBWFJUCJOZJHE-VIFPVBQESA-N 415.264 1.496 30 10 HDEE CC(C)[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856627 VSYRPSMUKIIYSA-UONOGXRCSA-N 401.359 1.827 30 10 HDEE CN(C)C1CC(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282857713 LUMUGTCJSFQRLT-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CC1(C)CCNC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282865435 UHUSORGEZBNXLS-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCN2CCSCC2)OC1(C)C 2282866561 LRWUZNKVVRSWNH-UHFFFAOYSA-N 418.415 1.374 30 10 HDEE C=C(CS(=O)(=O)N1CCN([C@@H]2CCSC2)CC1)B1OC(C)(C)C(C)(C)O1 2282866606 MJWKZGWNGNJPPD-OAHLLOKOSA-N 402.391 1.627 30 10 HDEE CNCCC[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282872471 XBTXISGAUVTDAH-CYBMUJFWSA-N 402.391 1.855 30 10 HDEE C[C@H]1CN(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)O1 2284062027 IJOVGWKRYHZQIV-PHIMTYICSA-N 403.335 1.208 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC(C)(C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284405843 PZCMEXHDISXZRW-UHFFFAOYSA-N 403.331 1.806 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@H]3C(=O)O)c2Cl)OC1(C)C 2284457347 XJSUPCKDGZRTML-JTQLQIEISA-N 401.677 1.626 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4ccncc4)n3C)n(C)c2=O)cc1 2328607561 FMRGYOSNSUPCOV-UHFFFAOYSA-N 403.446 1.631 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2361663703 ZLMDWYXHDRSRJD-IUODEOHRSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365170270 LGMOIHWGZAUNSW-YZVOILCLSA-N 402.557 1.586 30 10 HDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365170535 RQDHCGSVMSJZKR-ZRGWGRIASA-N 402.557 1.538 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2365206955 KGMZPDUDWHSHKH-HNAYVOBHSA-N 402.557 1.553 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2367790937 IFNRCGLKPJNMJL-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367816933 JMSDTMXXVSWHSU-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367819608 YISCJXBTXAMBHM-OAGGEKHMSA-N 400.541 1.435 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CC)(C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2372721623 GKTLXSAETRYYPL-HBUWYVDXSA-N 402.513 1.255 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccco2)n1N)c1ccccc1O 59829734 IJNAHSAEOUTKSG-RGVLZGJSSA-N 401.452 1.535 30 10 HDEE C/C=C(/C=C(C)/C=C/C=C/C=C(\C)C(=O)[C@]12O[C@@H]1[C@](O)(CCO)NC2=O)C(=O)OC 100062162 OHWILISHWFHITP-NILHXIBUSA-N 417.458 1.018 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)CCO1 409558459 PGWKYFKZARGKJQ-OAHLLOKOSA-N 402.879 1.066 30 10 HDEE COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1-n1nnnc1C1CC1 427258664 UGTNXCPFWWWOEK-UHFFFAOYSA-N 411.447 1.924 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 447171059 BUNZQZVNLMCWGX-UHFFFAOYSA-N 409.490 1.348 30 10 HDEE CC(C)n1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 462444336 KAFADCOTNNFPDZ-UHFFFAOYSA-N 423.520 1.031 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCCN(CCOC)C(=O)C2)cc1 469693104 KLUODZFIBIQVJX-UHFFFAOYSA-N 402.495 1.513 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473443716 MYKBDBHAQCGKIA-FUHWJXTLSA-N 413.455 1.572 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 475539613 WVKVNXLVESUQNA-UHFFFAOYSA-N 414.447 1.460 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 476181330 ZWZSJDDDKUXBBQ-UHFFFAOYSA-N 406.446 1.832 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cn2)CC1 481055186 HIMHVVIGSCBGJG-UHFFFAOYSA-N 417.510 1.854 30 10 HDEE Cn1ncc(I)c1C(=O)N1CCN(c2cccc(C#N)n2)CC1 499823500 AYEFXQLPTQRYCA-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)NCc3nnc4ccccn34)n2)c1 501688367 KGPIVAPUJVHIMN-UHFFFAOYSA-N 403.427 1.979 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 504437375 ZAJUBMSCKFOXIF-ROUUACIJSA-N 420.531 1.938 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC=C)CC1 508819439 YLYGCSZHJPNWJK-UHFFFAOYSA-N 411.466 1.464 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 508956936 VFPVXYIYCFTSFA-SFHVURJKSA-N 418.542 1.123 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 516991517 VRUQRIZUEWTECS-CYBMUJFWSA-N 419.279 1.386 30 10 HDEE COC(=O)c1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 524328419 YBPQMTVNCGKOCW-SFHVURJKSA-N 420.425 1.866 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H](O)COC[C@@H]2CCCO2)CC1 533342610 BWUPXLPNJRVTDG-CVEARBPZSA-N 402.451 1.485 30 10 HDEE COc1ccccc1-n1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 546175469 CFLKCGYPAWMWIO-UHFFFAOYSA-N 424.486 1.658 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 549682264 XYIRITMVNMTWAD-QZTJIDSGSA-N 418.542 1.075 30 10 HDEE COc1ccc([C@H](NC(=O)C(=O)NCc2cccc(C#N)c2)c2nccn2C)cc1 550642978 SQWGUURDDOIMEC-IBGZPJMESA-N 403.442 1.822 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(C(=O)N4CCCC4)C3)cc2C1=O 552636906 BZRULRPSWYYOQU-MRXNPFEDSA-N 410.474 1.879 30 10 HDEE CCCn1c(Cn2cc(C#N)cn2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 559189228 LSWFITZBZNUTAZ-UHFFFAOYSA-N 414.491 1.584 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1Cc1ccccc1 568834390 YKXBOBUSUDNRQN-UHFFFAOYSA-N 419.506 1.524 30 10 HDEE N#Cc1nccnc1NC[C@@H]1CCCCN1CCn1nc2c(cc1=O)CSCC2 585625512 KZDQZWAUOPZIQT-INIZCTEOSA-N 411.535 1.661 30 10 HDEE CS(=O)(=O)NCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609943890 FHHSSXDULLSTMR-UHFFFAOYSA-N 404.423 1.001 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc2c(s1)C(=O)CCC2 726376108 DTQJMMVDBVWBBP-UHFFFAOYSA-N 404.473 1.729 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(OC3CCC(C)CC3)CC2)c1=O 731027337 SVTYYQGMSNLGDI-UHFFFAOYSA-N 418.538 1.561 30 10 HDEE COc1cc(CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc(OC)c1OC 734293344 RFNYGRAIYBNMAP-UHFFFAOYSA-N 404.444 1.940 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(C#N)cc1 745109757 RZVGWJZYFJGEDY-HKUYNNGSSA-N 406.394 1.835 30 10 HDEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn3ccccc23)c1=O 751831581 KSGCUNNUZGZCRI-UHFFFAOYSA-N 424.551 1.793 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H](c1ccccc1F)N1CCOCC1 755581167 FARJOOXXUFXDRJ-LJQANCHMSA-N 417.462 1.717 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3CCOC[C@@H]3C2)cc1OC 756246106 GHOISLSSEJWETR-SFHVURJKSA-N 405.495 1.768 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1 766852182 PJGIXWAMURGPEQ-PKOBYXMFSA-N 418.519 1.613 30 10 HDEE C[C@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 769864828 AUWRHRYWZVCPGX-WMQDPJMESA-N 400.526 1.640 30 10 HDEE C#CCN(C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774039140 QSYIYOLQXUZEDR-HNNXBMFYSA-N 421.500 1.536 30 10 HDEE C[C@H](CC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21)/N=C1/NS(=O)(=O)c2ccccc21 774071028 LIGWNLLGXCWFRB-CLWVCHIJSA-N 419.503 1.748 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)[C@H]1CCS(=O)(=O)C1 774176208 BTBLXMLCQXIUGH-IBGZPJMESA-N 413.499 1.993 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774261903 DFVLLHCSVIQPHM-DOTOQJQBSA-N 408.520 1.714 30 10 HDEE O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776591909 RGRGUOWPMIYXHA-IMJJTQAJSA-N 419.503 1.750 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 779753054 UOGKHTNPJBEACC-OLZOCXBDSA-N 413.478 1.102 30 10 HDEE C=CCOCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 780030155 XTLHGDAPQPGNFX-CQSZACIVSA-N 402.900 1.730 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 780669577 HNLXYLKWJFTHIS-QGZVFWFLSA-N 423.558 1.405 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cnn(Cc3ccccc3)c2)cc1C#N 788826887 HXRAMSKWYNIHRQ-UHFFFAOYSA-N 403.442 1.744 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn3c2CCCC3)cc1Br 790842607 YRIDASKNUCXSLK-UHFFFAOYSA-N 409.265 1.972 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 796375267 GHNAZQQSBCQOAW-OSCRUYLVSA-N 418.444 1.786 30 10 HDEE CNC(=O)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 797767004 SZPILZBFBOQMFF-INIZCTEOSA-N 414.487 1.109 30 10 HDEE N#Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 806620781 GCKZPEIZHWDJJS-CCEZHUSRSA-N 404.224 1.969 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)c1ccc(F)cc1 812752902 UHDONMRUTLJFEK-GOSISDBHSA-N 415.446 1.051 30 10 HDEE COc1ccc(C(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1OC 1084278427 PUTUKXUUSHEKMC-UHFFFAOYSA-N 401.452 1.976 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125120516 USHDLVRKBCBCAD-VPMFXMNOSA-N 406.508 1.909 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@H]2C(=O)NCC2CC2)c1 1135823004 LSRQPADTYLZDQV-HNNXBMFYSA-N 411.480 1.164 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1141398670 IDGSANAJFLHWDQ-WBVHZDCISA-N 419.503 1.696 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCc3c(CC#N)cccc3C2)cc1 1150428886 ILBRRVLXVKTKGZ-UHFFFAOYSA-N 411.483 1.818 30 10 HDEE COc1ccc([C@]2(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H](O)C2)cc1 1153867175 ZFRDUTGYWBIGOZ-CWEQDWBBSA-N 415.490 1.963 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)COC1 1154116238 BRTLDLQBWAXXCR-KRWDZBQOSA-N 408.462 1.502 30 10 HDEE C=CCOC[C@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)C(=O)OC 1155779233 IQLHWFJVEBQUQY-AWEZNQCLSA-N 410.883 1.873 30 10 HDEE C=CCOC[C@@H](NC(=O)CSc1nncn1-c1cccc(Cl)c1)C(=O)OC 1155779234 IQLHWFJVEBQUQY-CQSZACIVSA-N 410.883 1.873 30 10 HDEE Cn1ncc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1I 1158223036 AIYNZDCNVNFTAT-UHFFFAOYSA-N 413.244 1.739 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1181744771 APYQOVRDYXKRLZ-UHFFFAOYSA-N 424.519 1.213 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CCOCC1 1195015392 RVQJLXTZKRMJOF-UHFFFAOYSA-N 409.420 1.402 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1213276119 GFBDDYJDRPRPAH-LLVKDONJSA-N 417.285 1.207 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 1215521773 XJAPVBAHYJDZOH-CQSZACIVSA-N 406.458 1.584 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)CCCO2)cn1 1251446279 LDRZQSPQYHWGTM-NQIIRXRSSA-N 409.494 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1286295740 KRPYMUGDWZEUTD-DLBZAZTESA-N 421.567 1.431 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286344549 RHJFLSTUZHBMQQ-QGZVFWFLSA-N 409.538 1.486 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286383604 DJYIQHIOFXZBOJ-ROUUACIJSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCCC 1286431573 PLKXYWWBBLLHQL-LJQANCHMSA-N 407.474 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1286467258 SBVQSNBOVUQVQV-UHFFFAOYSA-N 424.505 1.144 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1286549190 WCBJXIVARDQFIM-JYJNAYRXSA-N 406.531 1.216 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)CC1 1286652894 LUYIGUMVWPNOQZ-UHFFFAOYSA-N 402.543 1.639 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286687817 RNNSAIDYEZMSKF-BZSNNMDCSA-N 402.543 1.742 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1286766196 OSKGWWXKWKFVOU-UHFFFAOYSA-N 420.558 1.264 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC2CC2)CC1 1286781365 QZEOSWASEKXPII-UHFFFAOYSA-N 404.515 1.114 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286793576 HLADTLRJTKRLFQ-JWRCQZCYSA-N 417.535 1.806 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](F)COC)C1 1286799557 XGSNPYZCCNSMMU-LSDHHAIUSA-N 404.446 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2nccs2)C1 1286819642 QUEFZNDXXPGHQG-CQSZACIVSA-N 409.537 1.791 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1288539067 RARWJABUTOPVGJ-FXCLAUTBSA-N 424.505 1.855 30 10 HDEE CN(CCc1ccc2c(c1)OCO2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1288880043 YHBBMIBMPMILCS-UHFFFAOYSA-N 401.444 1.155 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)ccc1F 1288947641 PRLFATDWCPCDMW-ZUEVXXBESA-N 412.483 1.746 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1289201640 QHMHXSRGBDUXKO-DOXZYTNZSA-N 421.906 1.085 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1291323067 FVAKBVBAAVAMQK-HZUJVAHNSA-N 413.478 1.494 30 10 HDEE CC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1293389115 GPBGUTQQOXCXJA-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1298789614 FYOQIXQIMPPXNC-UHFFFAOYSA-N 410.478 1.986 30 10 HDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cc1 1299972721 HUTMPZOIMZDKTO-UHFFFAOYSA-N 413.499 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1300267159 FPCJVUVMAHHZBN-KRWDZBQOSA-N 408.550 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1300290757 OTEOMGLQBISZEQ-ZDUSSCGKSA-N 402.476 1.709 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300485040 TWAJZZZUGFZCKU-WOCWXWTJSA-N 408.568 1.969 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CC1 1301086760 OVYRPLOEFVZLDB-ZWKOTPCHSA-N 424.567 1.922 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1301268689 QGQMSLLNPNZAEH-IBGZPJMESA-N 405.886 1.635 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1301270740 KOHYNNULEJHNBJ-NQIIRXRSSA-N 407.559 1.909 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1301272395 GUBOTABIGIJETN-CQSZACIVSA-N 420.539 1.113 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 1301482722 ZFJTYESHHJLHAE-UHFFFAOYSA-N 414.485 1.309 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1301492029 VPFBKPKACSBJBE-KRWDZBQOSA-N 423.521 1.276 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC=C(Br)C1 1301497796 DSUVIOCNPDXMAO-GFCCVEGCSA-N 409.288 1.020 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302367818 AXISWLKBWKBXAL-QFPXGYFVSA-N 409.450 1.092 30 10 HDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)cc1 1304403424 FWFPLAJWRBSXRY-UHFFFAOYSA-N 418.523 1.455 30 10 HDEE COC(=O)Cc1occ(C)c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892141 AFUCFSHBWLUTIO-UHFFFAOYSA-N 400.387 1.821 30 10 HDEE CC1(C)C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1312822750 GLRNKLLFQWFEOV-KRWDZBQOSA-N 420.535 1.779 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1314343812 HTTPSAQJCITUCM-DNVCBOLYSA-N 403.462 1.657 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1314729295 NBLXVLJQYQZQIM-DYESRHJHSA-N 410.478 1.543 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1315094659 GOJWHJMSEBGIDC-KRWDZBQOSA-N 406.450 1.498 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1316531500 PZORJNDAPSDFDN-OAHLLOKOSA-N 402.405 1.567 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCSCCCO)CCO1 1316540266 JBONPVQPUAKNLX-QGZVFWFLSA-N 421.498 1.841 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C)cc1 1318641830 QEIOJADVGIFGMW-LPHOPBHVSA-N 413.455 1.591 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1319019914 DPPLXQUZQJSISA-BCHHYXHLSA-N 406.483 1.713 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1358956812 KTXMRCOHLVPZFY-GOSISDBHSA-N 402.520 1.991 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358960395 DFJHRYJKTUUGHS-GOEBONIOSA-N 420.564 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCOC1 1358974292 YBCNTSHRZTYZTH-HSZRJFAPSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@H]1C 1358974316 YSWPLUUMSMXVDI-VGSWGCGISA-N 416.489 1.545 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1359017187 WIWQCDBGXZWYCY-MRXNPFEDSA-N 420.510 1.730 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359048972 FMYGAKXHUZFDOF-DLBZAZTESA-N 405.568 1.986 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359340513 PAFLJLBWCIKCGR-GDBMZVCRSA-N 405.524 1.563 30 10 HDEE CC(C)Cc1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359821519 MTNXWHZXILHQHQ-KCQYIYACSA-N 414.510 1.620 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1360784596 IBSQTIGFNIAHDL-CRAIPNDOSA-N 407.540 1.615 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1OC 1436111625 RPYGCAKAIPDXHT-UHFFFAOYSA-N 404.448 1.068 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)c1[nH]c2ccccc2c1C#N 1450964018 NLKXXACOGOZBIE-XHDPSFHLSA-N 400.460 1.622 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)c1 1454043701 RBIZTQYRWAXZPT-CQSZACIVSA-N 402.398 1.881 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1457830321 FFFFYHMKHSNKDG-MRXNPFEDSA-N 408.886 1.567 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC2(C(=O)OC(C)(C)C)CCOCC2)CC1 1460513345 VXZBNMVQXIKSKY-QGZVFWFLSA-N 408.543 1.159 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1469730124 SKNWETMSBVQHFD-BZUAXINKSA-N 407.515 1.692 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)cc1 1470454502 AADCXUQBFJFVLM-FQEVSTJZSA-N 413.451 1.770 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2cnc(Br)cn2)CC1 1470999326 SXMDSOIUJBLHMT-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC#C[C@H]2CCCCO2)CC1 1472319241 MYBDHRBCEFAITJ-QGZVFWFLSA-N 409.508 1.381 30 10 HDEE COc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1Br 1472370120 DGBBKPVBQRVVPW-UHFFFAOYSA-N 405.208 1.289 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2cc(C#N)c(Br)cn2)C1 1472677703 DKEJQRIKNZVPCA-GFCCVEGCSA-N 409.284 1.954 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CC(F)(F)CO)CC1 1473597438 KZOXPBKKFVPTFX-INIZCTEOSA-N 410.465 1.576 30 10 HDEE C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1477567694 GXXDMHOWBRGPDL-CQSZACIVSA-N 413.478 1.885 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1495878106 HOUFHMKOTBPGJG-NVXWUHKLSA-N 415.494 1.948 30 10 HDEE CCCN(CCC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1500841625 INWGYADBORUTSB-HMWBCQRISA-N 415.498 1.382 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1=CCCOC1 1504886308 GSLOVNOWECGUCA-UHFFFAOYSA-N 414.466 1.719 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504899627 GTYLMBIOIQWASA-QRWLVFNGSA-N 413.457 1.277 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507526551 PMHRNHALNBRAHP-JKSUJKDBSA-N 417.535 1.693 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507553337 DHCQFXUFZCBLLN-MRXNPFEDSA-N 407.478 1.540 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1507591270 IYIMCQZGVQTVEJ-INIZCTEOSA-N 412.454 1.589 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@H]2CO)CC1 1507724898 LVTRGWZLVFBORB-NRFANRHFSA-N 423.565 1.332 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC)C1 1507753612 HKDXOYDXDABAJK-DLBZAZTESA-N 404.584 1.764 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507755439 UOSSTNCQQOGBDH-JKSUJKDBSA-N 418.567 1.289 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507935608 SKBXKVYQFDHJNL-HOTGVXAUSA-N 402.499 1.611 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1507981329 JVAJLYPRUXVPID-WUJZJPHMSA-N 409.556 1.814 30 10 HDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508157831 HMNMELSRIDDBMO-KRWDZBQOSA-N 409.519 1.950 30 10 HDEE C=CCSCCNC(=O)c1ccc(I)cc1-n1cnnn1 1515134015 BTFLIVJQISGROS-UHFFFAOYSA-N 415.260 1.916 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)cc1 1518131441 SGHGCIPXQCEQNI-HXUWFJFHSA-N 402.474 1.974 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)c(OC)n1 1518270336 DXFJVAARXCWRFA-UHFFFAOYSA-N 419.445 1.213 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1520660712 YFXIVDTVEBJRMF-CRAIPNDOSA-N 410.478 1.432 30 10 HDEE N#CCOc1cccc(CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1 1521507867 LWUTYFCXFCFJCV-AWEZNQCLSA-N 405.501 1.806 30 10 HDEE COc1cc(N2C[C@@H](C(=O)N3CCO[C@@](C)(C#N)C3)CC2=O)cc(OC)c1OC 1536619249 MWAFUTGOADOCMF-RBZFPXEDSA-N 403.435 1.206 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 1538844607 UBIXCKDERIZVJN-FQEVSTJZSA-N 405.520 1.935 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1539193626 GTZCBOIFXGWMQY-AWEZNQCLSA-N 421.548 1.164 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539230783 KFGNBUOVPFQGDD-FGTMMUONSA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(CC(C)C)C1 1539231135 OZTFHCADSKCYJJ-FQEVSTJZSA-N 410.566 1.955 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C(C)C)cs2)CC1 1539428191 NSXCDCVUXZZBDL-UHFFFAOYSA-N 415.567 1.800 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC=C)CC1 1539470128 YHRMJULKXLXGSM-NRFANRHFSA-N 401.511 1.471 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1539887823 IRIWIYLHNRYSID-RBUKOAKNSA-N 416.570 1.869 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540870824 XTZDXWPAPQAOAR-CVEARBPZSA-N 415.498 1.897 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)NC1CC1 1541111742 BJSPHTGFCVWUMH-ZDUSSCGKSA-N 413.482 1.660 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1541998200 WMBHAZRQQQSEEI-HOTGVXAUSA-N 407.478 1.043 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCCOCC1 1556023196 WAEZNTUHMHCWAI-HTXNQAPBSA-N 409.450 1.093 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC(F)(F)[C@H]1O 1557002003 SWVCRHBNICHPKU-DOMZBBRYSA-N 401.435 1.170 30 10 HDEE N#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 1557083108 KSDPSWYHOFAYCN-UHFFFAOYSA-N 421.500 1.766 30 10 HDEE Cc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1C 1564633891 CECAFOBSTTYTRR-SQGPQFPESA-N 416.503 1.376 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCc4c(nc(C)n4CCO)C3)n[nH]2)c1C 1568814593 XKAGRVMNXLTUAD-MRXNPFEDSA-N 423.521 1.861 30 10 HDEE CC(C)(C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1)C(N)=O 1569288980 OSXNAUHRKQFUAR-HNNXBMFYSA-N 420.535 1.632 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1S(=O)(=O)NCC#N 1570321144 GQKGBZOIDUCMIX-QGZVFWFLSA-N 418.519 1.414 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1570694674 GJMJONDAXWUSDI-QZTJIDSGSA-N 408.817 1.123 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1587600079 UJRDTOXUJWSEAB-CQSZACIVSA-N 403.425 1.961 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1588054136 KVEDFFLXAJERHM-ROUUACIJSA-N 424.567 1.699 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(Cl)cn1 1588074187 KSTNMJBUPCCPMX-UHFFFAOYSA-N 412.881 1.714 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c1 1588108731 CGAAKLXNWBOLEQ-UHFFFAOYSA-N 413.499 1.645 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCS(C)(=O)=O 1589229230 ZTAQUXFVQVSXJF-HXUWFJFHSA-N 402.520 1.914 30 10 HDEE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)COc1cccc(Br)c1C#N 1596580085 GMABBVHTZANQAQ-APPDUMDISA-N 411.252 1.879 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1596789071 FIQGUEWRYJEXEO-LSDHHAIUSA-N 411.576 1.359 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611159286 JRWZUOGXDMVNAS-KXBFYZLASA-N 403.460 1.123 30 10 HDEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1615098770 USOPAXYPEJHQIE-SJORKVTESA-N 416.840 1.763 30 10 HDEE CN(C)CCNC(=O)Cn1cc(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)cn1 1617865503 XEVBWHKIHNUUOJ-UHFFFAOYSA-N 408.506 1.883 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cc1O 1619273287 BSZLTTVEVGBWEM-UHFFFAOYSA-N 405.462 1.942 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)C2CS(=O)(=O)C2)cc1 1620501715 LLUIGHKGXJPUAC-UHFFFAOYSA-N 416.503 1.642 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 1620657008 FELNSSJBHNYUIW-INIZCTEOSA-N 424.523 1.295 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(C)(N2CCOCC2)CC1 1624029148 RDZSDXWGIKVBCZ-UHFFFAOYSA-N 410.522 1.864 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1626976917 HYKQBGCSLJEYAI-XEYPJELSSA-N 422.547 1.641 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 1628366473 HYLDETDNMQFQBZ-AWEZNQCLSA-N 411.386 1.486 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](n3ccnn3)CC2)ccc1F 1630656174 HJTBKKXGVSYLDW-HNNXBMFYSA-N 407.471 1.749 30 10 HDEE COC1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1631677087 BMYHESGITYLWIL-LFDOHDQPSA-N 407.511 1.773 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(CCC#N)CC1 1632348726 GAZLBJOAIMSOJX-GOSISDBHSA-N 424.592 1.453 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC1 1632624174 OEDSAAVQDCAMEZ-PKOBYXMFSA-N 422.570 1.456 30 10 HDEE N#C[C@]1(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCCOC1 1632642636 PLRSPCPZDNJEEY-NFBKMPQASA-N 410.518 1.642 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)CC)cc2N)n1 1635721973 WYHPRKSFJJKMCM-UHFFFAOYSA-N 404.492 1.181 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc2c(s1)CCCC2=O 1640888848 HJAZGJDCJLITSE-JTQLQIEISA-N 404.473 1.839 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1641675235 ZZUHTPDSLQKGKJ-KFWWJZLASA-N 401.529 1.270 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2ccc(F)c(C#N)c2N)C1=O 1641853766 FFMHGPFIZQPGCH-GFCCVEGCSA-N 419.457 1.981 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@@H](CCN2C)C1 1643789029 AOFAJPPKMDMJPB-RYQLBKOJSA-N 418.563 1.692 30 10 HDEE COC(=O)CCN(CC#N)C[C@@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 1644206174 RDGGDXPIZNMBLM-MRXNPFEDSA-N 413.396 1.556 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCn2ncc(I)c2C1 1644632700 CUJGXMFAJHFOGZ-XHDPSFHLSA-N 415.279 1.746 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Cl)cc(Br)c2)CC1 1645163237 LZGKNDVOULALAY-UHFFFAOYSA-N 406.733 1.688 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)c1 1654643143 DUAMDBLFDIIFJS-GOSISDBHSA-N 418.519 1.134 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1-c1ccc(F)cc1 1656828314 MUTACHAGPZYRIQ-UHFFFAOYSA-N 424.432 1.612 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCCC1 1657343612 GCKPUHGREBMECV-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@H](C)COC 1659398771 SYYHRCGGMINMGN-LJQANCHMSA-N 423.579 1.659 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1665325862 LELYUOBCBUUMPT-NSHDSACASA-N 424.338 1.559 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC 1666159187 BSCDEAHYQOLRTC-OAHLLOKOSA-N 404.510 1.113 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(OC)cc2Cl)CC1 1672099217 MDWBGGLQVQVTMW-UHFFFAOYSA-N 400.888 1.274 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)N=S(C)(C)=O)cc2)CC1 1672849101 PFCRKWMLWLYNNS-UHFFFAOYSA-N 404.492 1.548 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)NCc1cn(CC(F)(F)F)c(=O)nc1O 1682272949 IANPJSAMJFQGBE-UHFFFAOYSA-N 424.273 1.227 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cc1 1682564846 VHHSACNQJLJIQA-LJQANCHMSA-N 423.535 1.281 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)C1CCOCC1 1682893071 JFPHLYRTFNBDDI-UONOGXRCSA-N 407.268 1.435 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)[C@H]1CCS(=O)(=O)C1 1684577057 DOGHKNSUQUIFGW-QMCVQRASSA-N 423.332 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689851937 YAPQFTOIYALXCI-HOCLYGCPSA-N 403.508 1.130 30 10 HDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1689913157 ITTVTOXPEDKZPJ-MAUKXSAKSA-N 415.469 1.922 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ncn(-c2ccccc2)n1 1689944262 OCJHCIDJNDWEMK-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690125910 QFJMTBPPHDMGMG-HTAPYJJXSA-N 413.497 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCc2nc(C)no2)CC1 1690150484 JZLBPKUNTAETCX-UHFFFAOYSA-N 411.510 1.521 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1690206364 OUVLWBYXWQOUFD-AUUYWEPGSA-N 403.483 1.755 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](COC)C1 1690220315 WIEPQICBLGXASJ-ZIAGYGMSSA-N 419.320 1.762 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1690670045 XCWNDYZFUNXLOL-ROUUACIJSA-N 408.506 1.834 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1690673092 NXWRDPBDRMIUKG-SFHVURJKSA-N 420.521 1.369 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1691001344 HMSHPGWJIIJAJK-PBHICJAKSA-N 424.509 1.967 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1695438684 NQPMXLMTIADRLX-NRFANRHFSA-N 407.478 1.059 30 10 HDEE COCCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1698095918 IERAVYWJNIUWAE-KRWDZBQOSA-N 421.505 1.934 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1705481121 ZXCIRAFFTHKTMM-SCLBCKFNSA-N 421.343 1.571 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1N1CCOCC1 1705550786 XDBDLUWXOUMQBK-UHFFFAOYSA-N 405.506 1.941 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1noc(CC)n1 1705596064 QZYCEZQRUJLEBJ-UHFFFAOYSA-N 421.461 1.657 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCc1cccc(C(=O)NC)c1 1705598090 AYJIANFMZXNCQZ-FQEVSTJZSA-N 405.502 1.847 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@H]2C)CC1 1705642156 IYGAMCJJQYXKEX-YLJYHZDGSA-N 411.554 1.568 30 10 HDEE C#CCSCCn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705665385 SFRZXWBLJLUVET-XLIONFOSSA-N 407.584 1.827 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1705754768 FSHIMDGSMTWALE-CQSZACIVSA-N 412.947 1.919 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705900333 ZASMQIGEKPRXTP-QFIPXVFZSA-N 422.464 1.879 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(C)C(=O)C2)cc1 1705909263 RRQBIMHHAUTJNQ-UHFFFAOYSA-N 424.505 1.406 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1Cc1cn(C2COC2)nn1 1706076771 BYFNUMVFZZFSET-INIZCTEOSA-N 406.494 1.870 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cnnn2C)CCOC1 1706669623 RFMRCMGQYIJGON-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1709402909 OSUMAMNRDNVOOB-ONEGZZNKSA-N 420.521 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2conc2COC)CC1 1722444827 OSYLCMDDZHOFFD-UHFFFAOYSA-N 400.483 1.550 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1722457758 MRVMCCUQRQNZGE-QGZVFWFLSA-N 415.567 1.649 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC 1722473064 ZQRPRHDQHZRKIR-LJQANCHMSA-N 405.499 1.549 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)CC1 1722560118 PVAPUUXXETYUQJ-RMKBEBRYSA-N 417.601 1.592 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN(C(C)=O)C1 1722678172 VKFSHPSNNSFCMO-KRWDZBQOSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1722697923 AKXIDTLRHPASCL-FUHWJXTLSA-N 415.494 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(C)(OC)C1 1722698129 VALCJRXBFCDDIB-UHFFFAOYSA-N 409.450 1.121 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1740531899 AGPJLNLMDWIWOP-GJZGRUSLSA-N 405.524 1.712 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1740609813 TUPXKJMBCFZXKK-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1740623590 XGXFILNDVWIIFV-QGZVFWFLSA-N 402.524 1.149 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CC 1740631151 QDWKVMDSWMREIW-FQEVSTJZSA-N 400.504 1.582 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccccc1 1740639220 TZWZKOVFZLMWDX-HSZRJFAPSA-N 417.469 1.986 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(C2CC2)C1 1740646428 ZOJKGMSAYWQZNI-GOSISDBHSA-N 417.517 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnn1 1740657869 ACSDKXREVMLLMJ-UHFFFAOYSA-N 422.518 1.414 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@H](C)C2)CC1 1740706101 RFJZCPBYIHQAOD-ZIFCJYIRSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740710416 WWDKFOZHQWNSSF-MRXNPFEDSA-N 406.556 1.087 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](COC)OC 1740892453 HJTNMABSFRAEOE-OAHLLOKOSA-N 422.555 1.830 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1740961688 WTNMDERSHQBXHB-UHFFFAOYSA-N 405.547 1.363 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1747453172 PBSMDFHALUBQST-LJAQVGFWSA-N 412.519 1.396 30 10 HDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1748763337 ZQAVTVQHHSNPBN-QGZVFWFLSA-N 424.505 1.883 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1748815732 SZOFZMGFOPSUMK-QGZVFWFLSA-N 403.508 1.907 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1748895245 SGSHNAFWWSIEJL-UHFFFAOYSA-N 413.547 1.896 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749420799 CYQXOBXWXNBBDO-UHFFFAOYSA-N 421.509 1.465 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1749496093 IMSJYWCFCJMGRL-UHFFFAOYSA-N 400.508 1.716 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1749681905 KNZZUBOURSBUBL-HDMKZQKVSA-N 418.542 1.166 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN(C(C)=O)C1 1749832815 WODNQKXWJOKEAT-ZWKOTPCHSA-N 404.515 1.755 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C1 1750060870 NZCDPWLZGCUICV-OALUTQOASA-N 413.478 1.474 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1750180109 CNTSXSUWHDLWOT-KRWDZBQOSA-N 416.507 1.077 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCCCC3)C2)n1Cc1ccc(C#N)o1 1750949990 PKEIXBNLEQXYIL-MRXNPFEDSA-N 411.510 1.994 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)F 1751091569 JRBIFAASKCOZKM-NSHDSACASA-N 407.381 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1760115923 CWVYIJSOXICKII-STQMWFEESA-N 407.462 1.132 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(=O)N(C)C)c1 1760128507 KIJPJQZOEKTORZ-QGZVFWFLSA-N 424.505 1.317 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1760173616 AFDRYRSJTCFFNG-GJZGRUSLSA-N 406.483 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCn1c(O)nc2ccccc21 1760207186 ZJSSCZFIZXGMFI-UHFFFAOYSA-N 417.473 1.229 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCCN1CCC[C@H]1CO 1760218722 LVBZHDCCUZSMCC-SFTDATJTSA-N 413.566 1.872 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1760232593 IUOJPOPWGVXXAV-UHFFFAOYSA-N 420.473 1.807 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@H]2C)CC1 1760383655 VRJKRRQFJMTZQY-NQIIRXRSSA-N 405.543 1.807 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)NC)CC1 1760392082 CFECOFXDTXWKRY-UHFFFAOYSA-N 409.487 1.702 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760437810 ONURCBHWMIPARV-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1760465091 WSYTUDSGUWRWCP-AWEZNQCLSA-N 413.544 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC)C1 1760555376 DWJNTXICBXZEBH-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1760696495 QZMDKOBXKQMXKF-RDJZCZTQSA-N 412.494 1.904 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1761363219 CYJJBPRGOLUKGQ-QGZVFWFLSA-N 415.542 1.932 30 10 HDEE Cc1nccn1-c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)cn1 1762347488 BVAYZPMDCVHFPO-YOEHRIQHSA-N 419.493 1.905 30 10 HDEE CCO[C@]1(c2nnc(N(C)CCCC(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1765835485 GGQIBBVMJPVGMI-HXUWFJFHSA-N 416.482 1.406 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1767130858 WWKGHEYLJFQXFG-UHFFFAOYSA-N 417.433 1.808 30 10 HDEE CN(CCC1CCOCC1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767306986 YWIOSBOXECZUMA-ZZEZOPTASA-N 414.510 1.935 30 10 HDEE COC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769485051 DMRHGWFEFNBOKB-GJZGRUSLSA-N 414.466 1.962 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C)n1 1770049611 DSFWEFUEYMUPDW-WMZOPIPTSA-N 400.483 1.677 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1772790863 YALDIJOSCPYDSD-AWEZNQCLSA-N 414.439 1.842 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(=O)N(C)CC2)[C@H]1c1ccc(C#N)cc1 1849832724 UJWLVDGMKLCZLV-UXHICEINSA-N 414.531 1.642 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1851161995 BOEOXWOGQCPOLB-UHFFFAOYSA-N 405.863 1.990 30 10 HDEE CC(=O)N1[C@@H](C(=O)N2CCN(CCC#N)CC2)CSC12CCC1(CC2)OCCO1 1851700522 YWBCYODTSVUFCN-QGZVFWFLSA-N 422.551 1.022 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc(CON)cc2)cc1 1852000856 YBHJOVUPVWFYSV-NRFANRHFSA-N 411.458 1.885 30 10 HDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1852162773 ADALJXKGNSGYNJ-MOPGFXCFSA-N 405.458 1.546 30 10 HDEE CC1(C)[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC[C@@]1(C)C(N)=O 1852520759 BQEXGRMWTMADMN-VGSWGCGISA-N 413.522 1.546 30 10 HDEE N#Cc1ccc([C@H](CC(=O)N2CCS(=O)(=O)CC2)N2Cc3ccccc3C2=O)cc1 1852870563 BXYCABLXEASZMB-FQEVSTJZSA-N 423.494 1.902 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853666701 IGSLJVMKNUJCDJ-ZWKOTPCHSA-N 420.554 1.707 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1853734389 DWDVHBXAVHHVGG-LJQANCHMSA-N 417.531 1.994 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1853784864 PTFMYOGQBMWBHO-IRXDYDNUSA-N 400.479 1.406 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)C2CC3(CC3)C2)C1=O 1854869775 LXNITVNRHLVPCP-SFHVURJKSA-N 408.506 1.567 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C(=O)C2)C1 1855121082 NRHALMUEISZTMF-HNNXBMFYSA-N 410.396 1.858 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 1855227348 GUENNRWEVCNNSO-DLBZAZTESA-N 416.547 1.713 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1855438144 WEWJBRIYZIFDPU-GOSISDBHSA-N 407.474 1.516 30 10 HDEE COc1cccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1855647042 LDGCPVLZTKNYJL-HNNXBMFYSA-N 405.476 1.385 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1CCC#N 1856198055 FKVCCFBDEYHFRC-MRXNPFEDSA-N 418.519 1.060 30 10 HDEE CN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1=O 1856298526 IZZPZADXCOBNCI-UHFFFAOYSA-N 418.519 1.182 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)C1(C)C 1856398521 GRKKYQUAKBDCEW-HNNXBMFYSA-N 424.523 1.080 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC(COc4cnccn4)CC3)C2=O)cc1 1856431590 UYFMWXBRWJGGST-LJQANCHMSA-N 405.458 1.880 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1856497263 ZLNAKGLJKZVZHO-ZWKOTPCHSA-N 418.519 1.203 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1=O 1856820191 OSLVNTMKNWQCJH-MRXNPFEDSA-N 423.510 1.534 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccnc2OC)C1)[C@H]1CCN(C)C1=O 1857068173 LWETWGUTPNFNJU-RDJZCZTQSA-N 400.479 1.188 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C(=O)C2)cc1 1857372090 ZAORLMBQBQDUBH-GOSISDBHSA-N 403.442 1.320 30 10 HDEE CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccc(C#N)cc3)C(=O)O2)CC1 1857471051 RIQRMPCOWZWEHF-GOSISDBHSA-N 419.503 1.900 30 10 HDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1870150131 ZNZOYNQWGUFXPR-CYBMUJFWSA-N 409.450 1.683 30 10 HDEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(CCO)CC1 1870563332 VSTQVBAPMTWMDY-UHFFFAOYSA-N 402.495 1.328 30 10 HDEE C=CCN=c1nc(N2CC(O)C2)[nH]c(=Nc2ccc(Cl)c(C(F)(F)F)c2)[nH]1 1871594355 QWEPMGBDQOVUDK-UHFFFAOYSA-N 400.792 1.910 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(CCCNC=O)CC2=O)nc1-c1ccccc1 1872725758 YAFFOADLTKFDSR-UHFFFAOYSA-N 414.487 1.635 30 10 HDEE CCn1c(C2=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)nc2ccccc21 1872729968 CVBVWLHSHYGJMT-UHFFFAOYSA-N 411.487 1.416 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(S(=O)(=O)c4cccc(C#N)c4)C3)n2)n1 1890075631 PMFAMFJYPDVPIR-UHFFFAOYSA-N 424.486 1.238 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)CC1 1891702933 QOEUNWIPUZMETQ-INIZCTEOSA-N 406.508 1.242 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 1985102214 DBKGECGLGKJDAN-UHFFFAOYSA-N 404.276 1.581 30 10 HDEE C#CCO[C@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024232 YVVDZHQKIJCPQP-IFXJQAMLSA-N 408.451 1.065 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CS(=O)(=O)N1CCOCC1)NCC 2145729210 YSYJOJBIDOCWQW-HZPDHXFCSA-N 405.561 1.486 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](CO)C1 2174777618 MJNKSYGSFKGRAE-ZDUSSCGKSA-N 415.899 1.814 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243418921 NNJCOWFPDYAWGU-YPMHNXCESA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)O1 2243674688 MNLXHRIVPOLUAD-GJZGRUSLSA-N 408.304 1.810 30 10 HDEE Cn1cc(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247915889 LLHQYYYNVNZMLL-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE CN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2247930389 RQHHKISRLLJIMO-UHFFFAOYSA-N 423.323 1.053 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2248403920 JABWPXLYRZNBHG-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE C[S@](=O)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267703186 SCMNTFPVDZLLOC-DEOSSOPVSA-N 407.750 1.296 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269037213 HSEFSEIFGTUIDD-JTQLQIEISA-N 407.344 1.142 30 10 HDEE CCN(C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2281794931 LZNTZKLPMLIUEI-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cccc(C3OCCO3)c2)n1 2281951198 GWLCDBXOONDFSU-UHFFFAOYSA-N 400.244 1.412 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCCS(C)(=O)=O 2282055127 ZXLAJKRGULTTLM-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CN1CC[C@H]1CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282499305 BRLGIHNTJRHTOU-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCCC(=O)O)ccc2Cl)OC1(C)C 2282502814 QEWOQDNHRSFGQR-UHFFFAOYSA-N 403.693 1.782 30 10 HDEE C#CCOCCONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282829580 GXLPRIWUVLSOFQ-UHFFFAOYSA-N 401.315 1.215 30 10 HDEE CN(C(C)(C)CCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833423 XDYRBPSMQVUNIS-UHFFFAOYSA-N 404.363 1.365 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@]2(C)CCO)sc1B1OC(C)(C)C(C)(C)O1 2282843351 LZEGKEMWTFPEAP-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE CCN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C 2282854865 WXZREAWKTOSHDW-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1O 2282859675 PAERLQHCAARWLI-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE C[S@@](=O)CC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876264 AQODAAUJTKUTOB-RUZDIDTESA-N 419.399 1.187 30 10 HDEE C[C@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400805 YLJRLYGTGIUFHH-SNVBAGLBSA-N 403.693 1.638 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284408111 SEKBNKDRZINRKW-BDAKNGLRSA-N 421.733 1.700 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H]3CC(=O)O)s2)OC1(C)C 2284413081 GNVJBOXVGMHBNU-QWRGUYRKSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC3(O)CNC3)ncc2F)OC1(C)C 2304809632 NPHOWTHGGCBFEY-UHFFFAOYSA-N 413.302 1.861 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CC(CCC#N)C1)NC(=O)OCc1ccccc1 2316040008 DKHOQJBHIFUBMF-MRXNPFEDSA-N 409.464 1.020 30 10 HDEE CCOc1ccc(C=CC(=O)N[C@H]2CCN[C@@H](C(=O)C=CC(=O)O)C2)cc1OC 2328179418 DFBDRNBANRVHHT-JKSUJKDBSA-N 402.447 1.554 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)C#Cc1ccc(C(F)F)nc1 2365741828 RCBQKCKLJFXMCP-ZDUSSCGKSA-N 402.419 1.878 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1nn(C)cc1I 2367790259 UQFBQZDMRCMGCO-NSHDSACASA-N 407.277 1.256 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367801367 RETXDJHBIQVVKQ-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367801855 WMFHUJNERUINRH-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@](C)(N)C#CC1(S(C)(=O)=O)CCC1 2367819953 PYNGNTVGNZUWAA-QAPCUYQASA-N 400.541 1.701 30 10 HDEE C[C@@H]1[C@@H](O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C 2370705356 IDSUHKVFDNYNTI-SCRDCRAPSA-N 401.359 1.827 30 10 HDEE O=C(/C(=C(\S)NCCN1CCOCC1)[n+]1cccc(O)c1)c1ccc(F)c(F)c1 22694455 XJXQDQHSJKTLHL-UHFFFAOYSA-O 422.477 1.819 30 10 HDEE N#Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 24742727 DTIHXYMEPQLMEF-UHFFFAOYSA-N 406.489 1.962 30 10 HDEE O=C(CN1CCC(N2CCNC2=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 53283962 DSMYJLGUUQALHD-UHFFFAOYSA-N 408.424 1.663 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3ccncc3)N2)C1 72445719 SFHUHBYFXKFXFN-KFWWJZLASA-N 422.445 1.248 30 10 HDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1ccc2cccnc2c1 90743611 WRQQNOXABJXWNR-UHFFFAOYSA-N 415.471 1.076 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)n1cnc(C#N)n1 466351062 ZXHGHZKSPHSMEP-HZMBPMFUSA-N 408.340 1.309 30 10 HDEE CCOC(=O)C1(O)CCN(CC(=O)N(CCC#N)c2ccc(OCC)cc2)CC1 471175720 GARYRGQEOOELDB-UHFFFAOYSA-N 403.479 1.722 30 10 HDEE CC1(C)NC(=O)N(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C1=O 473583345 QHEAOHWPGOENMN-OAHLLOKOSA-N 403.870 1.379 30 10 HDEE C[C@H](OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nccn1C 479839095 FBMPLFUPDFGEOQ-AWEZNQCLSA-N 410.434 1.966 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 488583467 RPEJXXDCEVQRBP-NEPJUHHUSA-N 416.413 1.461 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(C(C)(C)C)c2C(F)(F)F)CC1 492353894 LHZUQSFWQHVVLM-UHFFFAOYSA-N 401.433 1.717 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 506022793 PNSYENKTJHYXBW-UHFFFAOYSA-N 408.499 1.284 30 10 HDEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)C[C@H](C)CS(C)(=O)=O 506962481 MUNFPXMYKZONOV-GFCCVEGCSA-N 401.485 1.725 30 10 HDEE CCN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 507783659 FKPZHSHBUJNPEY-QGZVFWFLSA-N 405.520 1.437 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 512762110 NQCBTVVLHDQDFW-UHFFFAOYSA-N 423.473 1.036 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccccc1-n1cnc(C#N)n1 517207797 CNCYXUFSIFNHDW-UHFFFAOYSA-N 403.445 1.343 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)c1 533223494 VGZPTWROFUSONC-UHFFFAOYSA-N 422.489 1.181 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 545490665 PQBBCJAZBMAHJR-UHFFFAOYSA-N 416.445 1.106 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCC1 580364536 SWXZSAYOIOMXPW-UHFFFAOYSA-N 419.475 1.295 30 10 HDEE CCOc1cccc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586859837 KLGBDRBEGIHXGD-UHFFFAOYSA-N 411.437 1.456 30 10 HDEE Cc1ccc2c(CCNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cn(C)c2c1 589490066 KAIDLVDJFHHKGZ-UHFFFAOYSA-N 410.499 1.996 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 592069435 LBJQTIZSDYTYDG-MRXNPFEDSA-N 410.540 1.459 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 609668725 YVXQJXCTKBYTDG-FPOVZHCZSA-N 400.523 1.484 30 10 HDEE C[C@H]1C[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1C 610177695 AJKDENWWZNVKIN-LPHOPBHVSA-N 418.563 1.900 30 10 HDEE N#CCc1cccc(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1 619496918 FFCCYGCIJRQTMZ-UHFFFAOYSA-N 405.501 1.771 30 10 HDEE COCC(COC)S(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 688576399 RVQHIXFOIPCVEY-UHFFFAOYSA-N 405.347 1.128 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)NC1CCOCC1 728090148 YMICMUZJHKIQOM-UHFFFAOYSA-N 419.381 1.608 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730144847 SCUJBCWKEMTUCB-DAXOMENPSA-N 417.535 1.193 30 10 HDEE C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706961 SHJOZFXLNWOMMJ-OXQOHEQNSA-N 423.517 1.838 30 10 HDEE N#CCCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)CC1CC1 746463474 RTYKXTSTMBZEBU-CXUHLZMHSA-N 416.547 1.757 30 10 HDEE COc1ccc(COC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1C#N 747071850 WBVOHGSENHOCLR-GFCCVEGCSA-N 406.464 1.327 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)cc1C#N 747495446 NJJPMKUHEAEUAK-UHFFFAOYSA-N 421.862 1.879 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1cccc(C#N)c1 751636465 RQCBIUGTMZRZQZ-SJCJKPOMSA-N 420.418 1.822 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCc2ccc(OC)c(C#N)c2)cn1 753180785 XRTWBZDAVBEUHW-HPGBDJQBSA-N 401.492 1.798 30 10 HDEE O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCN/C(O)=C1\N=CC=CC1=O 755359992 FLAIMBFKCMLTED-FOCLMDBBSA-N 423.223 1.542 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CCN1C1CC1 756183164 XPOSSIJGUFEDJG-SFHVURJKSA-N 423.448 1.173 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 756874919 FIYUHWCEJUNIGS-KSFYIVLOSA-N 419.489 1.674 30 10 HDEE COCCOc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc2ccccc12 759063197 DDDKKZZHSUCYIE-XUTLUUPISA-N 410.430 1.516 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 765561045 YJKNBVBRESWDLG-HTAPYJJXSA-N 422.570 1.906 30 10 HDEE C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 769215670 KEUGPVMZVZUSQO-CYBMUJFWSA-N 419.434 1.396 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 771298560 LXOPOEJHURZPGS-INIZCTEOSA-N 408.545 1.773 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774145819 JJWYVAPKVRBECI-PKOBYXMFSA-N 419.547 1.664 30 10 HDEE COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)cc1 778611069 AACWKTNRPVLBET-QGZVFWFLSA-N 408.462 1.077 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 780853006 AVSCZUJSZGOWRT-QGZVFWFLSA-N 421.425 1.403 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2cc3c(cc2Br)NC(=O)CO3)nc1 782567024 CHXLVJOSIHBNFS-UHFFFAOYSA-N 416.235 1.889 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc(Br)c1C 798832604 PXNOIMMWTOFKAR-JTQLQIEISA-N 412.269 1.595 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)n1 799819255 AOHLACIQGVXJPP-UHFFFAOYSA-N 404.492 1.055 30 10 HDEE C#CCN(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@@H]1CCCO1 802696075 QFLNJYZLJLVCPQ-FQEVSTJZSA-N 422.533 1.485 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 810517919 OTHQHCVORMAUHP-GFCCVEGCSA-N 421.397 1.960 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)c1ccc(Cl)cc1F 811918051 VZXTWUYEKRKCME-MRXNPFEDSA-N 416.906 1.677 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 812469646 MEJUOTPGIUNCTJ-SNAWJCMRSA-N 400.483 1.866 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1084506044 BQOLQGJDSFOZPE-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE COc1cc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ccc1C#N 1125190340 FBKPAKDGKDJHHI-UHFFFAOYSA-N 410.455 1.474 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)c(Cl)n2)CC1 1128675944 JPZWQTJSJKLZEB-UHFFFAOYSA-N 413.931 1.731 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OCC)c1 1137192191 XFYSOQFHAXKBSF-IBGZPJMESA-N 414.483 1.783 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)n1 1141793035 AJOFPCIIPHVSQB-UHFFFAOYSA-N 416.850 1.709 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCOc2cccc(I)c2)C1 1143195873 OARUHCFSUIIRNL-HNNXBMFYSA-N 400.216 1.937 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3nc[nH]c3[C@@H]2c2ccccc2)cc1 1151236186 FHOJQHLICANTAW-NRFANRHFSA-N 421.482 1.734 30 10 HDEE C=CC1(CC(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 1152771549 KUACDJRBHRSYNW-MRXNPFEDSA-N 409.527 1.895 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1158225647 YYONTORIVLMSPL-HNNXBMFYSA-N 400.508 1.583 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)O[C@@](C)(C(F)F)C2)cc1S(=O)(=O)NCC#N 1167337896 GDGFNJIBSTWEOZ-SJKOYZFVSA-N 401.435 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179653456 YPMXIUXNEHBMLV-IQUTYRLHSA-N 411.524 1.419 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ncc(C(=O)OC)s2)c1 1179664319 QSWIIBAAAUUXKW-UHFFFAOYSA-N 406.485 1.699 30 10 HDEE C[C@@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1188706706 DFHHAYITEPVRRW-NRFANRHFSA-N 415.413 1.113 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(O)(c2ncnn2C)CC1 1197460084 VNMIEPYTAJWMKM-OAHLLOKOSA-N 414.535 1.989 30 10 HDEE C#C[C@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1225030570 GESCXPARXPLYOP-FUHWJXTLSA-N 405.520 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)NCCn2cnc(C#N)n2)C1 1228012313 YVRUADNFNCOTMM-LBPRGKRZSA-N 413.429 1.341 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1252561242 DYOXBOCRJFJJIJ-UHFFFAOYSA-N 418.436 1.976 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1286301735 HKPWULTYFGKWNW-OAHLLOKOSA-N 406.556 1.811 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)C)C1 1286469690 WZHPYBFDPXGDON-IBGZPJMESA-N 416.570 1.607 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286505874 MQHZRZAMLBOIBE-QGZVFWFLSA-N 422.551 1.998 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1286756518 NMOYWEVIVQOSAR-WMZOPIPTSA-N 411.510 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1286810516 SEHAYXSPGSFDHN-UONOGXRCSA-N 417.432 1.632 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286823304 UFWGAINNCMZDDP-QGZVFWFLSA-N 409.556 1.184 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1289437002 MKUNHFLCMZBLMK-KSSFIOAISA-N 401.529 1.469 30 10 HDEE CCN(CC#N)C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1291998833 CLMJSAISMRINQY-UHFFFAOYSA-N 414.509 1.993 30 10 HDEE CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1293281948 GJRHWRCAIRDWBO-SFHVURJKSA-N 410.478 1.119 30 10 HDEE COc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccc1C#N 1297523381 BWIJBFCYZNNPAB-MJGOQNOKSA-N 411.433 1.527 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(C)cc1 1300430613 OQVNRUIRRCUCNV-JKSUJKDBSA-N 405.524 1.734 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300487184 HKTFDDDLNHRBLQ-WBVHZDCISA-N 405.524 1.571 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300488946 XOPPCOUWKFKVLN-AWEZNQCLSA-N 422.938 1.996 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1300506771 XXOJCRGCJZKQTA-UHFFFAOYSA-N 418.501 1.293 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)[C@@H](C)CCC)CC1 1300695567 DKPPBMWVMZMUCS-SFHVURJKSA-N 411.554 1.591 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)n[nH]2)c1C 1300937656 AMDURECOXRUNAY-UHFFFAOYSA-N 418.523 1.326 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301490808 FAKJLQHFYDPINN-GCKMJXCFSA-N 414.510 1.359 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1301600735 GSQQBABTASLRFV-UHFFFAOYSA-N 415.494 1.743 30 10 HDEE CS[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302555772 SCRYBLMHALYGCW-NHYWBVRUSA-N 413.507 1.516 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)c1 1302989064 HILDCCUZEYBPHO-HOTGVXAUSA-N 423.395 2.000 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@H]2CCCO2)CCO1 1303005327 YNFLWTFWOJUSKQ-KZNAEPCWSA-N 405.499 1.487 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NC[C@@H]1CCCN(CC#N)C1 1306651975 OSIBSJKZJXPZDH-FUHWJXTLSA-N 401.511 1.869 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1307781730 NGFJMTOWIWOQJD-QFIPXVFZSA-N 417.575 1.790 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccsc3C#N)CC2)CC1 1307927560 JAZNSCRQDYRLKO-BATSVXPKSA-N 421.563 1.977 30 10 HDEE N#Cc1ccccc1OCCN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1307956802 FNNFMPQIXOGTES-UHFFFAOYSA-N 414.531 1.533 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)CCC1 1308113796 IMWHFPDWMCVFRU-RBUKOAKNSA-N 421.563 1.933 30 10 HDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1312977872 SUXGPAXPOVTFTH-UHFFFAOYSA-N 402.542 1.617 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C 1316102324 WCNMAXLFFQHCTI-CQSZACIVSA-N 403.487 1.322 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1316263408 IMZAMSRTFFABHW-HNNXBMFYSA-N 401.467 1.975 30 10 HDEE C#CCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1318472750 XAAPQSPCZXAIPK-CQSZACIVSA-N 415.309 1.122 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1359020105 RKNAHWDMSLJUNY-HRAATJIYSA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@@](C)=O)CC2)CC1 1359036752 HUUODKOGXRDNCQ-GDLZYMKVSA-N 415.538 1.674 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1359061345 ZEJXWINJBXWFLS-UHFFFAOYSA-N 410.503 1.421 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1359202156 KUFOEPMSFKQZGD-QGZVFWFLSA-N 415.542 1.970 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1359302543 KVVBZJUTQZLSAM-GOSISDBHSA-N 414.510 1.196 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1359303592 UNWGUQNIIVSIDW-SFHVURJKSA-N 410.478 1.103 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccs1 1359334327 BBCQAHFZVIRDCW-UHFFFAOYSA-N 423.564 1.699 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1360552989 GEWZZFDFHSWDNB-LSDHHAIUSA-N 415.498 1.465 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1435029020 XJEAMPFCYITPEJ-OALUTQOASA-N 407.536 1.933 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cnc4ccnn4c3C(F)F)CC2)c1C#N 1435912712 MLFQNWUBAPDDPG-UHFFFAOYSA-N 400.393 1.543 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1442973997 OLKCXRGMQIGETR-DLBZAZTESA-N 408.543 1.352 30 10 HDEE O=C(CNS(=O)(=O)c1ccc2ccccc2c1)NCc1ccc(C(=O)NO)cc1 1448504136 UEACNIZMDMXTJG-UHFFFAOYSA-N 413.455 1.554 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)C(F)(F)F)cc1 1453238606 BHCCGHCICIPOKT-UHFFFAOYSA-N 412.411 1.428 30 10 HDEE N#Cc1cn(CCNC(=O)CCSc2ccccc2Br)c(=O)nc1O 1453839968 DWLWXDHGSRNNDD-UHFFFAOYSA-N 423.292 1.882 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1455000790 SWVCOEJWTVGHBG-UHFFFAOYSA-N 405.520 1.044 30 10 HDEE CN1CCN(CCCS(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1464199110 AGRJJQDQBJDQOE-UHFFFAOYSA-N 405.568 1.084 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1464377262 GEOCYEBGQNUHJC-MSOLQXFVSA-N 412.508 1.271 30 10 HDEE Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3C#N)C2)n1 1464524084 AMWIKWVHTKMGHK-CQSZACIVSA-N 407.883 1.963 30 10 HDEE Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191442 FOMGJXDPXTYOCE-KPZWWZAWSA-N 406.414 1.469 30 10 HDEE COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)N1CCN(CCC#N)CC1 1475596328 BREZYUPHEVKXHN-UHFFFAOYSA-N 400.888 1.527 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)nn1 1475848145 JRRXPSQVOAOBCY-UHFFFAOYSA-N 406.468 1.235 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1477625747 UACQROQLFJDZBJ-JQHSSLGASA-N 409.508 1.287 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1479508092 DYPSJAXTKJRNEH-CABCVRRESA-N 410.434 1.634 30 10 HDEE CCc1nnc(N2CCCC[C@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499085555 NNBJEWYOYORVGG-IJYGLTAASA-N 402.499 1.620 30 10 HDEE CNC(=O)CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1503790103 RYYKNARZVJBIFU-UHFFFAOYSA-N 424.505 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCCS(C)(=O)=O 1507520861 HIZQVQKEIUPVED-CQSZACIVSA-N 421.479 1.372 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1C 1507607686 BNLXJMRITYNEFI-UHFFFAOYSA-N 412.523 1.398 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507608889 UQRSHJRDLJZLQY-LJQANCHMSA-N 403.490 1.706 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507634998 RTKNEFIPJSCLQJ-AWEZNQCLSA-N 408.553 1.312 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507669122 HRGDIKCAQCIXAW-OALUTQOASA-N 423.492 1.728 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCC(=O)N1CCCCC1 1507713289 DOIJYYZZMDFSHO-UHFFFAOYSA-N 410.522 1.753 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507728426 UCCOHOMDDXTDTJ-HRAATJIYSA-N 414.579 1.940 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1507734321 UXEZNLXUFFWZPD-YCRPNKLZSA-N 403.527 1.081 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCCC2)C1 1507752796 FZTDSJDNPWJNQB-SFHVURJKSA-N 416.595 1.832 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(C(C)=O)CC1 1508088131 WCWSQGALQUNSFK-UHFFFAOYSA-N 414.485 1.369 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1508417618 ZZASWHMACILKMW-CQSZACIVSA-N 413.438 1.308 30 10 HDEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509175917 VIWPRJZEDCAYQC-PIOKWQJESA-N 401.446 1.445 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1512470869 CBOOASHJJAFPPY-MVZUJROASA-N 423.477 1.015 30 10 HDEE CCNC(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1515978019 BVGFRMUQNSTYGA-OAQYLSRUSA-N 422.468 1.919 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1519096878 ZNKFTOIXVJGBHM-LJQANCHMSA-N 413.474 1.012 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1527082184 LGNCOXVBCSCIJK-SMDDNHRTSA-N 417.516 1.598 30 10 HDEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CCOCC1 1538509567 BWRUAMCCWTWWRY-UHFFFAOYSA-N 411.524 1.934 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1539053434 RRDBPMWYCOFFKN-MRXNPFEDSA-N 409.556 1.699 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC)CC1 1539474799 ZFVZPADBFPTJPI-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1539483053 RLLZLIFXDATXLM-UHFFFAOYSA-N 420.517 1.141 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)Cc4ccc(C#N)nc4)CC3)n2)cc1 1539872484 CSEWZYONAALUTD-UHFFFAOYSA-N 418.457 1.899 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(O)c2)C1 1540882343 GYGCPBSEUOAKJM-MRXNPFEDSA-N 415.494 1.960 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540908383 VDWLWGUJWJGECC-CQSZACIVSA-N 415.585 1.349 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccn(C)n1 1541455253 RTNXNSQUHANULJ-UHFFFAOYSA-N 406.494 1.988 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C)n(C)c1=O 1543310768 GWQBQQHLZDNTLD-UHFFFAOYSA-N 404.478 1.235 30 10 HDEE CCCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1547178167 HOXBDHTUYGATCH-GOSISDBHSA-N 415.542 1.251 30 10 HDEE CCOCc1nnc(N2CCC[C@H](OCC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1548153799 ISGXGVPRJFWPCA-MJWGMMHASA-N 418.498 1.346 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1554287874 USNNSNJILYBYDO-CQSZACIVSA-N 407.496 1.556 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@H]2CCCOC2)c1 1556151687 RLVMZHXLLKGBRR-WMZOPIPTSA-N 407.488 1.572 30 10 HDEE CN(C)C(=O)O[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556709008 LSJPUWJAMUTGES-HZPDHXFCSA-N 413.434 1.062 30 10 HDEE C[C@H](CC(=O)N[C@H](C)[C@](C)(O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1557332189 BNFRZVGWXXRGTC-PZPWOCDFSA-N 415.515 1.916 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 1557541313 DYCUDNHRTOLDQS-UGSOOPFHSA-N 412.471 1.055 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 1564628105 LXOZCPZZSMVNAU-UHFFFAOYSA-N 417.890 1.629 30 10 HDEE COc1cc(CCO)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1568381859 ZXAJUHPREKQPQI-UHFFFAOYSA-N 403.460 1.593 30 10 HDEE C[C@]1(C(=O)N2CCN(CCC#N)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1587545890 GRBWOQMMLBPFFP-WIYYLYMNSA-N 400.479 1.206 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1587897963 ANGOIFFCJFUFAN-IBGZPJMESA-N 416.570 1.721 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050569 SLERHJWPOFMOOY-WIYYLYMNSA-N 414.531 1.690 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588054351 NKRZEOUDPJLJIO-ZWKOTPCHSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1CCS(=O)(=O)CC1 1588109892 RGKAHZKCGDIKOM-UHFFFAOYSA-N 417.922 1.891 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 1588199757 YOQQPLXFCUIWCW-UHFFFAOYSA-N 410.546 1.026 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1588266148 MFFLWPONNPUMHZ-MRXNPFEDSA-N 405.524 1.735 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1 1588774850 HZMDLRGWPAALOR-LLVKDONJSA-N 400.325 1.148 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589427228 FGBMXPSQPSZRMG-AWEZNQCLSA-N 421.299 1.124 30 10 HDEE Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C#N 1595157358 GHBYZELYDSOITQ-QGZVFWFLSA-N 415.519 1.924 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1595595738 YTLKOOYNGHQADQ-UHFFFAOYSA-N 418.458 1.063 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(C)=O)CC2)C1 1595715292 UYYPXRDUYGUHBE-IBGZPJMESA-N 413.526 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1cnn(C)c1 1595773373 ZFALAVQOUFHMLC-UHFFFAOYSA-N 404.496 1.817 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 1596609616 AYEBFLMFVXXSKF-UHFFFAOYSA-N 404.517 1.126 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1596702878 ICNNSPSGUXWBKS-SFHVURJKSA-N 419.493 1.813 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1608399399 BEPWEFKTCXVWIU-UXHICEINSA-N 418.448 1.905 30 10 HDEE C[C@@]1(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1611804234 NFQDXDOALAICGU-OXJNMPFZSA-N 401.442 1.542 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1612657092 AMQACTGZVUBBJJ-KSFYIVLOSA-N 424.505 1.965 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(c2ccccc2)C2CCCCC2)c(=O)n1CCO 1614868648 DLSCUNXEOLEVOT-UHFFFAOYSA-N 410.474 1.548 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1617133495 OHOIEPUPUHELNW-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE COC(=O)[C@H](c1cccc(OC)c1)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1619904269 CJXYEWYVUZOXHM-CTNGQTDRSA-N 416.522 1.533 30 10 HDEE COC(OC)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 1626030112 UGIFAXWHPBCWOT-RDTXWAMCSA-N 417.487 1.701 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1sc(S(N)(=O)=O)c(C)c1Cl 1627389858 NTGOWAPCDDARRW-UHFFFAOYSA-N 411.892 1.973 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)c1 1627812741 NWJRMOYKSZJLPA-UHFFFAOYSA-N 407.345 1.317 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(=O)nc1O 1628494974 IDEHPRRBMWCEIJ-UHFFFAOYSA-N 401.276 1.133 30 10 HDEE C[C@H]1CCC[C@](C#N)(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1628602754 MWOSWVYEHKKFCX-LIRRHRJNSA-N 407.492 1.715 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1629543709 YBSMFVBVSSTAMI-CABCVRRESA-N 421.498 1.459 30 10 HDEE COc1ccc2c(c1)OC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1632290023 DVWPLCXAKNXRFL-CYBMUJFWSA-N 404.419 1.865 30 10 HDEE Cn1ncc(C2CCC2)c1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1632575811 RSWZOELHIYPQBI-UHFFFAOYSA-N 415.519 1.823 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C1)[C@H](CC(=O)N1CC[C@](C)(C#N)C1)CS2(=O)=O 1633641085 PISKVLKSHCGPLO-NXEZDXNNSA-N 411.524 1.419 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OC 1634885876 ZKZIPUGXZLCJSI-AOMKIAJQSA-N 413.474 2.000 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 1635010099 DMQUVDPRAKRVBD-ZCXUNETKSA-N 419.869 1.305 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n(C)n1 1635416913 OEKHBLGSSCQAPY-CQSZACIVSA-N 419.482 1.564 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)C1CCOCC1 1637128422 OWFDVNHQOYRPLV-NRFANRHFSA-N 413.518 1.910 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1637389529 IQBYNFWPIRIILF-OTJKEOIZSA-N 401.429 1.856 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)C1 1638075503 QTUPCBPVSVJKIQ-JKJDWNRSSA-N 411.424 1.186 30 10 HDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(O)cc1 1638142758 SDIMZJIINQLHDV-MRXNPFEDSA-N 406.391 1.473 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)OC 1639559130 UPBFFENHIMHCEC-BBRMVZONSA-N 405.838 1.425 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1F 1642820424 AJKLDABXGOTDDH-UHFFFAOYSA-N 418.450 1.111 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1643412536 YYSYRIPSFBILJT-CQSZACIVSA-N 402.428 1.297 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 1643672941 CURAUWTWDVAJQK-USXIJHARSA-N 419.503 1.336 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC#Cc1ccc(OC(F)(F)F)cc1 1644108882 CXAVKQDZRCKEGL-CQSZACIVSA-N 405.394 1.599 30 10 HDEE C=CCC1(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CCOCC1 1645061249 LEGNCQJYJFIFQJ-INIZCTEOSA-N 409.527 1.991 30 10 HDEE COC(OC)C(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1647549119 NUCNVSVVZDEZAV-KRWDZBQOSA-N 402.495 1.393 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OC 1648793654 FTDZHZVUKXIFSB-GDBMZVCRSA-N 413.515 1.666 30 10 HDEE CC(C)Cc1ncnc(N2CCN(C(=O)CC#N)CC2)c1I 1651996032 LMPDMPPOOQPKBK-UHFFFAOYSA-N 413.263 1.842 30 10 HDEE C#CCNC(=O)C1CCN(C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1653407626 VBLZHISQPVHVGK-AVRDEDQJSA-N 405.539 1.864 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cn1C 1655247593 OZESZFDKHBVOBX-UHFFFAOYSA-N 408.415 1.158 30 10 HDEE N#Cc1cccc(NC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1655891697 XSJFSVDVZLMTHV-BBRMVZONSA-N 401.410 1.938 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1655991239 AZRPGHFGZSSSNN-JTQLQIEISA-N 419.301 1.712 30 10 HDEE CC(C)N(C)c1ccc(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1F 1660310342 ZCDXWWBFVUNIHO-YWZLYKJASA-N 422.526 1.869 30 10 HDEE C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660452935 UTYJUEPZEVKYNT-XMZIXOGTSA-N 413.402 1.205 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F)C(=O)OCC 1664946859 DHRAJTIBXXDZOZ-UWVGGRQHSA-N 409.810 1.864 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(F)c1Br 1666566905 QXFIGSYNOOEFMW-GFCCVEGCSA-N 424.313 1.540 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 1668319402 ZKFCPGYGATYKLR-QGZVFWFLSA-N 404.536 1.890 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1 1669471291 ONINIIHZLFNEEH-QGZVFWFLSA-N 415.490 1.653 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cn(C)c2ncccc12 1675384541 VMSMALOTEBNRAK-HNNXBMFYSA-N 404.478 1.698 30 10 HDEE C[C@H](Cc1cnn(C)c1)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682575765 FYSVKLVKLYDCMH-OAHLLOKOSA-N 406.494 1.923 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1686847963 QIXAVSQXZOIBPN-YJBOKZPZSA-N 408.524 1.481 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)c1 1689868587 LJKWWDXNTSZEIT-UHFFFAOYSA-N 417.535 1.676 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1689966441 RSPOSIDTBGFEOB-MRXNPFEDSA-N 416.503 1.459 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1CC 1690003579 RCJJNUFGUHAAGM-HSZRJFAPSA-N 424.549 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690667277 XPMDYSYZDLKZLD-CQSZACIVSA-N 421.523 1.125 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690723258 MCKTYKOWIQNURX-HOTGVXAUSA-N 407.540 1.394 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Cl)cc2)CC1 1705638491 MJZWHOZPYNHTAL-SFHVURJKSA-N 412.925 1.881 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705754105 QKUZMJGAEVEZCR-CYBMUJFWSA-N 403.936 1.443 30 10 HDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1705804665 JWAWIAJPMCYMIG-UHFFFAOYSA-N 421.505 1.827 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1706748104 STVDXEHPASIFJH-NVXWUHKLSA-N 423.525 1.469 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CC=CCC1 1712451933 KZPZDAWBELMSAE-UHFFFAOYSA-N 401.515 1.142 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722333836 OVHWZIGXVHUENL-SFHVURJKSA-N 423.521 1.754 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1 1722383385 ORDHBVCOLYGOTB-INIZCTEOSA-N 402.907 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1722398219 SSYGQADKEUWFOH-NRFANRHFSA-N 411.462 1.274 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1722413364 LZLHLJFZIFWAFS-ZIAGYGMSSA-N 423.564 1.852 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC2)CC1 1722449702 XYEWQQJCDCANHB-QGZVFWFLSA-N 408.506 1.266 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)C(=O)NC 1722699051 BBTBRCPSMWZRSB-CYBMUJFWSA-N 420.464 1.268 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cc(C)on1 1722724889 AOAAFOLRZVZIFH-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1722841490 DSSNHLCURLKWEM-UXHICEINSA-N 422.489 1.503 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1723003661 SZNWEVGWEHOWQP-CABCVRRESA-N 406.487 1.426 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1723589791 BCMBDLFWANZGHB-FQEVSTJZSA-N 423.456 1.487 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCCNS(C)(=O)=O)cs1 1725226102 RHVMKLDNKPTADT-LBPRGKRZSA-N 411.557 1.312 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@H]1C 1726397164 HTTYFXURJORNOQ-LJQANCHMSA-N 423.565 1.891 30 10 HDEE C[C@H]1C[C@@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726485510 HNXUSGRVVPGURL-YOEHRIQHSA-N 400.508 1.869 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOCC2)CC1 1728628438 CKVQQZKETFIDNA-IBGZPJMESA-N 423.565 1.927 30 10 HDEE CN(CCC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729513819 KBMMHHHEUBRVIE-KIJUOZEOSA-N 400.483 1.545 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1729542894 UMYJPFQZAJEOQA-INIZCTEOSA-N 418.523 1.229 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C1 1733876014 RWNBGMIXXJXEFM-MILRCDJXSA-N 402.539 1.389 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1740539484 SXFOHGULJWJIMM-NNMXDRDESA-N 419.570 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1740540506 WCELQBIZVSOUIC-ZDUSSCGKSA-N 413.507 1.476 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1740550573 IXJASUWXAGEBPH-WMZOPIPTSA-N 424.530 1.872 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1740625273 MYPKKBQMPUZMRB-SFHVURJKSA-N 402.520 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1740633271 BUTULPNPIYTKHA-HXUWFJFHSA-N 415.545 1.916 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1740643596 LGYAQQIDJIWFCZ-UHFFFAOYSA-N 420.452 1.514 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1740647671 XOPXHEUDADNLDA-LPHOPBHVSA-N 408.449 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCNC(=O)c1ccco1 1740654037 BKCXEHTVWOTURV-UHFFFAOYSA-N 402.458 1.750 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1740696634 ZEOQDAAAWHBSFK-LJQANCHMSA-N 408.506 1.075 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(CO)c2)CC1 1740698351 RSXPZWYQGHDMLO-UHFFFAOYSA-N 402.502 1.560 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccc(C)cc2)CC1 1740700812 JCRLCXNSDMXORH-HXUWFJFHSA-N 422.533 1.623 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)=O)CC1 1740858480 RKGZVHVQDBOUEY-HNNXBMFYSA-N 412.560 1.303 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC)C1CC1 1740910168 KXQLLGPHYWCODT-DZGCQCFKSA-N 415.585 1.517 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740960595 VSKKBBUORDCANJ-MOPGFXCFSA-N 411.506 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCC[C@@H]21 1740994290 MLXFXYRETHXARA-CVEARBPZSA-N 407.540 1.380 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1744770709 HXBYYVYBJSQFFB-CRAIPNDOSA-N 411.510 1.394 30 10 HDEE C#CCN(C(=O)CC(C)(C)COC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1748031884 IJTMBXYKCMNEJZ-IYWGDAJJSA-N 402.535 1.925 30 10 HDEE CO[C@](C)(Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C1CC1 1748374394 TWKQAQULSVSBCH-IOMROCGXSA-N 419.526 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1748649310 MXIJLXIDSQKNEQ-AWEZNQCLSA-N 415.494 1.907 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1748920224 FMHNWQBLALCSPP-UHFFFAOYSA-N 417.539 1.222 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C2CC2)CC1 1748973086 XHPJGQZBCVOOAK-KRWDZBQOSA-N 409.494 1.106 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1748978058 MPBSQJUHYALTNA-GOSISDBHSA-N 402.543 1.989 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749097617 FLZDYIKVKDTYID-ZDUSSCGKSA-N 423.315 1.831 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1749114959 JOKVCOOECVVUGH-ULQDDVLXSA-N 419.526 1.787 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(N)=O)CC1 1749119709 VXENPVBMNDTTIJ-JQHSSLGASA-N 421.542 1.685 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1749245159 AIIHQFPNYPEPPZ-UHFFFAOYSA-N 424.505 1.417 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749666571 MVCVCDWMKOEXRN-QGZVFWFLSA-N 423.521 1.542 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1749680575 MMANRNINFJFXTL-MRXNPFEDSA-N 400.414 1.027 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1749710514 XVARCZRIGVQOQG-SJLPKXTDSA-N 415.494 1.863 30 10 HDEE Cc1cnn([C@@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)c1 1751722158 GNVLHJYMCFJEOT-VRTBNJGNSA-N 410.482 1.459 30 10 HDEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1752103650 HSIPCZPIQTXFEM-YWZLYKJASA-N 417.535 1.849 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(=O)N(C)C)c1 1760128506 KIJPJQZOEKTORZ-KRWDZBQOSA-N 424.505 1.317 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1760132395 ICVRPPMREYJQDB-QGZVFWFLSA-N 413.503 1.881 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1760236093 IIKUETRFZIRVMQ-MRXNPFEDSA-N 402.520 1.772 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCOCC1 1760277262 FPHAFDWURMCFLO-UHFFFAOYSA-N 410.507 1.514 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760278784 HCNILOVJLREHQC-HZPDHXFCSA-N 401.492 1.067 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1760284603 ORVOJRAVQZQDLR-MRXNPFEDSA-N 401.540 1.173 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760357728 MSQVBIOAFPBRRW-JXFKEZNVSA-N 405.499 1.796 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1760456075 GSSKXAXCNXSWCW-GFCCVEGCSA-N 402.521 1.035 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1761121023 GEYKLWZJARTGQE-LJQANCHMSA-N 407.522 1.873 30 10 HDEE CCC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1765628843 VEKTVBJBWANQBD-UKRRQHHQSA-N 422.511 1.407 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1768471133 HKYXQEGLEHFCGS-IXDOHACOSA-N 400.483 1.797 30 10 HDEE COC[C@@H](F)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769282076 AVCTYPKDIHAZIK-KRWDZBQOSA-N 423.452 1.783 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOC2=O)CCO1 1770747885 KRJMPIXKKQAFDC-AWEZNQCLSA-N 417.857 1.565 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2)[C@@H]1C 1772566373 IGAINJUBVCNFRP-JQHSSLGASA-N 408.506 1.914 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OC[C@H]2CCNC(=O)CO2)CC1 1850409755 QGCYCZWXYUPDGK-QGZVFWFLSA-N 408.458 1.771 30 10 HDEE COc1cc2nc(N(C)CC(=O)N3CCN(CCC#N)CC3)sc2cc1OC 1850421465 UGACZRYNFYNZNQ-UHFFFAOYSA-N 403.508 1.808 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1851416130 WAULDTUIEAANMV-UONOGXRCSA-N 411.384 1.697 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N=C3C[C@@H](C)N(c4ccc(Cl)cn4)N3)C2)no1 1852031581 JZNCMPNNGGWIPK-SNVBAGLBSA-N 402.842 1.832 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)n1 1852661086 BLFXKEZDHLLXQG-LJQANCHMSA-N 418.501 1.919 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CCO1 1852749522 XOZYENXOZKYYPH-PKOBYXMFSA-N 417.462 1.466 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1852968807 MUNPGQKIDBZAPV-SFHVURJKSA-N 409.939 1.709 30 10 HDEE C=CCN1C[C@H](C(=O)N(CC)c2cc(N3CCOCC3)nc(SC)n2)CC1=O 1853224058 MQTPSLWUIOTKGJ-CQSZACIVSA-N 405.524 1.423 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1853742021 SVBHBSJYGTZIIQ-IEBWSBKVSA-N 402.539 1.099 30 10 HDEE Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C1 1853830040 FYPACTIIYKGIMS-UHFFFAOYSA-N 418.862 1.588 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2ccc(SC)cc2)C1=O 1854219016 LCYGYQWMNFWYAL-ZWKOTPCHSA-N 401.532 1.797 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@@H]1C 1854256396 NNTQVGKZTXWOLF-DOTOQJQBSA-N 423.510 1.614 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H](N2CCC(n3ccc(=O)n(C)c3=O)CC2)C1=O 1855210634 WERLYVPRLJXGTA-QGZVFWFLSA-N 402.495 1.058 30 10 HDEE CCN(CC(=O)N1CC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)C(=O)OC(C)(C)C 1856548360 MHPRTXRJLNTMFD-HOTGVXAUSA-N 404.511 1.997 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1856551067 FGEIYKHPCUNQMN-LJQANCHMSA-N 417.531 1.994 30 10 HDEE Cc1cnc(N(C)[C@@H]2CCN([C@@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)C2)nc1 1857150834 QOKLBUOBIYOVQI-QZTJIDSGSA-N 405.462 1.004 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(Cc3nnco3)c3ccccc32)CC1=O 1857318852 KVHDBPWWWJIQIX-GJZGRUSLSA-N 409.446 1.763 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)CC1 1858111240 JWBRACNCNLYCHG-CQSZACIVSA-N 408.480 1.237 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2c[nH]c3ccc(OC(F)(F)F)cc3c2=O)c1C#N 1866461863 ZOCWVIIPDLVMAO-UHFFFAOYSA-N 402.292 1.762 30 10 HDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)c(OC)c1 1870095729 UIHCZMWHYBGTCF-UHFFFAOYSA-N 424.442 1.888 30 10 HDEE CC(C)N(CC#CCNC(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)C(C)C 1889004378 BDIHHHHLQVOYQL-QGZVFWFLSA-N 420.579 1.583 30 10 HDEE N#Cc1cncc(C2=CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)c1 1891149516 MULKJDLGNOJSRE-UHFFFAOYSA-N 408.439 1.414 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CCN(c3ncccc3C#N)CC1)CS2 1892025883 NHEPOGWVHUXISF-INIZCTEOSA-N 410.503 1.513 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)CN(CCO)C(=O)OC(C)(C)C 1900051447 FPSCHSOTUROPTK-UHFFFAOYSA-N 401.504 1.803 30 10 HDEE C=CCn1ncc(N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043988995 CCRIMLCLUKWUOX-RYUDHWBXSA-N 415.288 1.896 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 2054408609 TUCLVAJDRMNUBE-ZWKOTPCHSA-N 406.508 1.858 30 10 HDEE C=CCC1(NS(=O)(=O)[C@H]2CCC[C@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 2162442578 DBACWADXBTWMJR-KGLIPLIRSA-N 402.513 1.813 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162918919 VEBDCGNKUJJKQX-NRRJATNASA-N 414.509 1.594 30 10 HDEE Cn1nc(CNC(=O)c2ccc(C#N)nc2)c(I)c1Cl 2174392800 NJNYCBLFGKWYSR-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cc(C#CCN)cs1 2177662493 CYJHDGGMGYXUEZ-OAHLLOKOSA-N 405.545 1.855 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2212759174 JKEGGHKESBBKSM-GJZGRUSLSA-N 405.304 1.773 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](S(N)(=O)=O)CC12CCC2 2239515322 JCAXRAWRCFYQIM-UONOGXRCSA-N 401.529 1.658 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]1CO2 2243395229 SROINYHTFNNFMD-XOBRGWDASA-N 406.288 1.516 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2247826925 BMIQXTDTMGIWBE-GFCCVEGCSA-N 422.291 1.380 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248414818 PVOMKQGVSPXVRZ-CQSZACIVSA-N 421.303 1.859 30 10 HDEE Cn1cc(C(=O)NCC2CCC3(CC2)OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282036985 PXBGZOWCQYMWRM-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE Cc1cc(S(=O)(=O)N(CC(N)=O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282309826 LFWQCIPVLGHBQB-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](C)NC1 2282326556 UTQVURVHBJOMRK-YPMHNXCESA-N 400.375 1.775 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](CCN)C3)c2)OC1(C)C 2282332436 AWRMMJOYQPEIMF-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE CN(C1(CN)CCCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332778 GPIFYNRUCLADTF-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE COc1n[nH]c(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)n1 2282508224 SPOYURMIWKUHTD-UHFFFAOYSA-N 400.291 1.116 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCC12OCCO2 2282601373 CQIQRZXJUKHPCF-OAHLLOKOSA-N 405.304 1.618 30 10 HDEE C[C@H]1CO[C@@H](CO)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282623687 HJWUHCFSOSDING-WDEREUQCSA-N 401.721 1.923 30 10 HDEE CN1C[C@H]2C[C@H]1CN2S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834596 LNZUIIDSGIKMKF-WDEREUQCSA-N 418.777 1.778 30 10 HDEE CCOCCN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838022 ZFSLDDKJTXSREN-UHFFFAOYSA-N 404.363 1.631 30 10 HDEE C[C@@H](CCO)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282839327 CCXWUOILSWOBMD-CYBMUJFWSA-N 403.375 1.875 30 10 HDEE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858123 RXVAZUNEQUOMKT-LLVKDONJSA-N 402.347 1.050 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CN)C(F)(F)F)OC1(C)C 2282869928 KGRPEWFDFWAFAW-SNVBAGLBSA-N 414.280 1.356 30 10 HDEE C[C@H]1C[C@@]1(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400171 SJWZCHALEICZCZ-QFYYESIMSA-N 401.315 1.436 30 10 HDEE CCN([C@H](C)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284409463 JMDHNRDWEBSRFW-SNVBAGLBSA-N 403.331 1.839 30 10 HDEE C[C@H](F)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284412924 YPJZJTOSHRMCEE-GXSJLCMTSA-N 407.294 1.278 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)C[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284420348 AWPIMLPLXPRNOH-SCZZXKLOSA-N 401.677 1.361 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)cc1O 2330796815 HHMSSNIZUZBFLR-UHFFFAOYSA-N 407.452 1.253 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)(C#CC(C)(C)S(C)(=O)=O)C[C@@]2(CCCO2)C1 2365192919 XTNULMSKKMATMU-MOPGFXCFSA-N 401.525 1.734 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCCN1C(=O)OC(C)(C)C 2365204025 LPXXMAHEQOHKPL-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE COC[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365205685 VOYLEUPGBHJANM-BEFAXECRSA-N 402.557 1.947 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367794164 GIAQPXSNWHCZCY-GJZGRUSLSA-N 414.549 1.911 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCc3nnc(C(F)(F)F)o3)n2N)cn1 20921749 UXNWPCBLTWZFIN-JFQJCAQQSA-N 416.393 1.909 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)NC(C)=O)cc1 30939160 LLDVLPDHRAJTLB-FQEVSTJZSA-N 407.474 1.878 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 102759282 RVXGKJCNZMJRHB-LYHOESIGSA-N 411.462 1.175 30 10 HDEE C#CCN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@H]1CCS(=O)(=O)C1 111048352 IREFYVFIGODUNQ-ZDUSSCGKSA-N 412.895 1.562 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404811825 HRHRKMGBYQNIPY-NSHDSACASA-N 403.331 1.370 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 410073276 DDYPYLFRXGKHQD-HZPDHXFCSA-N 423.535 1.123 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(c3ncccc3C#N)CC1)CC2 427928296 WSZFCROWKFJXOS-UHFFFAOYSA-N 421.501 1.677 30 10 HDEE Cc1noc(CN2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)n1 435166193 QALSKHFJYGEIRD-UHFFFAOYSA-N 415.397 1.775 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461302965 AOYPVIUPBXXSMU-OAQYLSRUSA-N 421.461 1.968 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465123775 UNICFPNKZFRGIU-HNNXBMFYSA-N 413.503 1.422 30 10 HDEE COCCOc1cc2c(cc1CN1CCN(c3c(C#N)c(C)nn3C)CC1)OCO2 471815538 JHFMRLBBQXUERW-UHFFFAOYSA-N 413.478 1.676 30 10 HDEE CC(C)(C)c1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 473284297 SYTWITXVSMHEKC-UHFFFAOYSA-N 419.532 1.854 30 10 HDEE COc1cccc(C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482182706 TYMHHAMTIRNDQI-HUUCEWRRSA-N 401.488 1.981 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CN3C(=O)CSc4ccccc43)C2=O)cc1 486012426 BYOBHSFVVXEWAN-KRWDZBQOSA-N 420.494 1.914 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 494811032 KJQXAZVYBCQZCQ-UHFFFAOYSA-N 401.507 1.442 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 508950510 KDEOKROCPZVWTQ-KRWDZBQOSA-N 401.442 1.654 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCc2nc(-c3ccc(F)cc3)no2)CC1 512718896 VHTLZBUFFNOFSV-UHFFFAOYSA-N 415.469 1.645 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1S(=O)(=O)NCC#N 526980990 GKVGGKHMXITRFR-OAHLLOKOSA-N 401.444 1.367 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CS[C@@H](C)c2nc3ccccc3[nH]2)CC1 531310465 AIBNWSUCXOIAMY-HNNXBMFYSA-N 401.536 1.804 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 538118730 KGOAKMGDRJKLSC-RTBURBONSA-N 402.543 1.103 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCN2CCCS2(=O)=O)n1 541097760 DGQKHQDKWIZIEF-UHFFFAOYSA-N 408.871 1.554 30 10 HDEE Cc1ccc2c(CCNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cn(C)c2c1 555089866 NBJUOPKPCBPRBY-UHFFFAOYSA-N 410.499 1.996 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccnc(OC(F)F)c1 556551199 SOSZNAYOFGXTBB-UHFFFAOYSA-N 420.372 1.835 30 10 HDEE N#Cc1ccc(OC[C@H](O)CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 561950437 IOCINFNEMKVJLT-GBESFXJTSA-N 407.470 1.807 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 561977037 CATLWGGOJGKYNN-UHFFFAOYSA-N 400.460 1.899 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 603797586 DRQNDLYGSAOBOP-HNNXBMFYSA-N 401.488 1.101 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(F)c1 609253842 NCZWQCQKIUGZQD-UHFFFAOYSA-N 401.486 1.927 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)CS(C)(=O)=O)C1=O 733201540 LNEZHAZAYNTBLM-FZMZJTMJSA-N 408.505 1.059 30 10 HDEE O=C1CN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2Cl)CCN1 733888407 APQSLXHPEFFUKA-VHEBQXMUSA-N 417.853 1.131 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 734920547 JOUINNCWKHIYLP-ZTQAJYAQSA-N 401.463 1.766 30 10 HDEE CC(C)c1nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1cccc(F)c1 735470503 CQMMKZFPQDTMMO-MNDPQUGUSA-N 412.425 1.786 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCSCC3)c(C)c2)CC1 740756857 PBXHLRLHULJZFK-UHFFFAOYSA-N 417.579 2.000 30 10 HDEE C#CCOc1ccc(C(=O)N(CCOC)c2c(O)nc(=O)n(CC(C)C)c2N)cc1 741515982 FTPXNKLHUOUQEI-UHFFFAOYSA-N 414.462 1.492 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2=O)n(C)n1 744705719 SHJAWQCBYDVKQS-QGZVFWFLSA-N 421.461 1.541 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(-c3ccccc3)nc2)c1=O 748064645 WQHWFCXITYBURL-UHFFFAOYSA-N 402.479 1.776 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)c1ccccc1 755832183 LUFCOCIQGRXBCM-INIZCTEOSA-N 401.488 1.398 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(-n2ccnc2)c1 757196189 SHNLVSKHBVMPBD-OAHLLOKOSA-N 403.450 1.349 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 758758496 IJWRQKALSDOKFN-RCCFBDPRSA-N 421.542 1.642 30 10 HDEE CCCCC(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760401249 VAZXAWSHNPQKHR-AWEZNQCLSA-N 401.554 1.998 30 10 HDEE Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553677 XWQFZOWVTIPVLV-JOCHJYFZSA-N 404.474 1.808 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763437586 YWUMOIJLWLFTIZ-UHFFFAOYSA-N 420.538 1.572 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCN1C1CC1 764505719 APVHAJICAWDGFL-RHSMWYFYSA-N 405.861 1.966 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(C2CC2)n1 765259961 NRGADCGJEDXKBA-UHFFFAOYSA-N 417.491 1.862 30 10 HDEE CN1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 765311758 PWUVUZXWTNIEGF-VCJOYTQFSA-N 404.417 1.743 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766987997 GMAOVDSYQNSMPA-YPMHNXCESA-N 411.505 1.319 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)cc1 769228934 XRQXAJXAOPGDHL-OXMAITBSSA-N 422.507 1.523 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C#N)CC2)c(NS(=O)(=O)C(F)F)c1 769636592 BQNCPTZYVWXZIX-UHFFFAOYSA-N 409.436 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(c3cnc(C#N)cn3)C2)CC1 771991964 KUZOULXUBFUTDB-HNNXBMFYSA-N 400.483 1.644 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 774058072 KESYMZFXZATIPG-CYBMUJFWSA-N 414.867 1.546 30 10 HDEE Cc1nc([C@@H]2CCCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 779698985 DPWMJSWBMHDVCQ-HNNXBMFYSA-N 417.491 1.951 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC[C@@H]1COc2ccccc2O1 780176967 QXWSHRHELDLOCY-SPLOXXLWSA-N 418.446 1.747 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)cn2)C1 782018581 NPQWKJPZDYKGOX-HNNXBMFYSA-N 403.464 1.275 30 10 HDEE Cn1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc2c(=O)n3ccccc3nc21 784482648 RTZHCYWSHKISAH-UHFFFAOYSA-N 421.438 1.318 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@](N)(c2ccccc2OCC)C(F)(F)F)CC1 787997759 GRXGIAJAEMGTIN-IBGZPJMESA-N 411.424 1.790 30 10 HDEE CCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=N[C@H](C)COC)n1 789968482 OSTCRRRAQDPOFY-CYBMUJFWSA-N 401.496 1.957 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 796132956 QNFXSDBLXMFVGB-HKUYNNGSSA-N 406.552 1.986 30 10 HDEE C[C@H](CC(=O)N1CC(O)(c2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 802621599 GFXMUYLPGQSRBP-CYBMUJFWSA-N 417.462 1.373 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC[C@H]3CCCCN3C)CC2)o1 803860829 RCEQEZDVQKXTNF-MRXNPFEDSA-N 403.483 1.311 30 10 HDEE C#C[C@H](NC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCO1 804671352 ICFDVSXEVQNKTK-KSZLIROESA-N 415.490 1.666 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 807254904 HOTPBBWVYHUQNZ-SFHVURJKSA-N 419.547 1.492 30 10 HDEE CC(C)Cn1cc([C@@H]2N(c3c(C#N)c(=O)n(C)c(=O)n3C)CC23CCOCC3)cn1 849478047 HNLGKPKWCXGQAI-KRWDZBQOSA-N 412.494 1.166 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCNC(=O)c1ccc(F)cc1F 916179217 RIEKASFERLSIBO-UHFFFAOYSA-N 421.425 1.993 30 10 HDEE CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 916716733 ZBBPRTWEWQDFII-CJLVFECKSA-N 423.539 1.878 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)c1 1125293791 FGFYGPWXNYYVTL-NSHDSACASA-N 402.501 1.388 30 10 HDEE C#CCCN(CCOC)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1131605846 MTKBGUPKGXAFMT-OAHLLOKOSA-N 404.463 1.564 30 10 HDEE CC(C)(C)OC(=O)C(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1132328898 LOOFCBMMSQUYRO-HNNXBMFYSA-N 414.462 2.000 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1132420888 APZSSFWBNACSKE-QGZVFWFLSA-N 424.519 1.508 30 10 HDEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CCCCC1 1134071289 OSQSOLAUUOWHKF-UHFFFAOYSA-N 404.488 1.934 30 10 HDEE COC(=O)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 1134343541 IODONOZOOLIPQE-CVEARBPZSA-N 414.462 1.857 30 10 HDEE COc1ccc(C#N)cc1NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1136453338 CIXVFWSIMJVHJX-HNNXBMFYSA-N 400.822 1.833 30 10 HDEE N#CCOc1cccc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)c1 1137782736 JKBNFDVMVWUBIW-UHFFFAOYSA-N 401.444 1.916 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(Br)cn1 1140613715 RTLNAOKYGMLTKO-JTQLQIEISA-N 424.280 1.094 30 10 HDEE N#Cc1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1F 1142237956 MXXZHSOWDSPOGT-UHFFFAOYSA-N 423.491 1.773 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)c1cccc(C#CCO)c1 1142582393 KZBUHHOSBRHKCL-UHFFFAOYSA-N 401.484 1.975 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143652718 PRRKQWLUAXEKPI-NVXWUHKLSA-N 406.504 1.100 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2ccc(O)cc2)ccc1F 1153803961 PPTDCBUGFGGLJG-QGZVFWFLSA-N 422.434 1.640 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)C1 1154958346 DGPJTALPUPOQNR-PGRDOPGGSA-N 401.507 1.355 30 10 HDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)ncc1C#N 1157382480 PJQWLURMODVZGA-INIZCTEOSA-N 400.460 1.659 30 10 HDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1160000860 VASSBSKFQNFORY-VNHYZAJKSA-N 407.492 1.352 30 10 HDEE C#CCSCC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1160609335 FVMSGIVKBSLRES-UHFFFAOYSA-N 400.547 1.360 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1171843166 AQFDGWFQBMEMSZ-UHFFFAOYSA-N 416.478 1.862 30 10 HDEE N#C[C@@]12CN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)C[C@H]1CS(=O)(=O)C2 1176431811 JSUALRGRGSFTIY-ZBEGNZNMSA-N 412.393 1.724 30 10 HDEE N#Cc1cc(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)cc1F 1208476011 GPOTUJQYDUVEQO-UHFFFAOYSA-N 413.384 1.730 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CCOCC1 1213765295 CLLKLNLXRUHNNO-UHFFFAOYSA-N 412.533 1.322 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3c4ccccc4OC[C@H]3CO)C2=O)cc1 1227632880 QYWQWGXMRFHNOQ-SLYNCCJLSA-N 420.469 1.701 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1251455506 PIOLZGJENODALT-KRWDZBQOSA-N 408.462 1.908 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1286471757 OCRIYDFIKHSZEO-UHFFFAOYSA-N 401.536 1.631 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286490096 HBFYXEQBPWNBDZ-OALUTQOASA-N 415.538 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCC(=C)C)CC1 1286491836 ADMUWMVFPFMZQL-IBGZPJMESA-N 415.538 1.731 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1286665616 AGBBUOPXOOFQFO-UHFFFAOYSA-N 413.526 1.675 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286687272 HUBFUVKKTDEMAG-JKSUJKDBSA-N 409.556 1.628 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1286727484 RERQYKHHVLANPV-KRWDZBQOSA-N 421.523 1.290 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCC(F)(F)F 1286779959 ACQJVALTUKPJLG-UHFFFAOYSA-N 411.388 1.616 30 10 HDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1286833995 WWICNFZPZUZIFL-UHFFFAOYSA-N 413.594 1.788 30 10 HDEE Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1290278486 IENRBINJUSCRDS-QAPCUYQASA-N 420.543 1.224 30 10 HDEE N#C[C@]1(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCCOC1 1291598209 ZIGWBCGTJNFNPI-VQIMIIECSA-N 407.492 1.080 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@H](C)C1 1293113396 HICDCGQZDRGKNJ-ROUUACIJSA-N 423.569 1.949 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(C)C[C@@H]1Cc1ccccc1)c1cc[nH]n1 1300287544 DUOAFIQESLXVER-KRWDZBQOSA-N 413.478 1.079 30 10 HDEE C=CCC(C)(C)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1301159002 SGAPGDBUSZQCIZ-AWEZNQCLSA-N 423.543 1.690 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301223193 PARPMRKQZUWNBL-IAGOWNOFSA-N 420.539 1.248 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301223609 ZMMBKGGYINEEJW-FCEWJHQRSA-N 410.540 1.531 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1301295885 BRICRTUHGWRICS-OAHLLOKOSA-N 422.530 1.687 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1301987878 BDMRPJBNBBTGQP-ILXRZTDVSA-N 421.523 1.943 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1302429701 TVHLHESWWAPTJI-ZDUSSCGKSA-N 419.297 1.351 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCOC3)nnc2N(CCC#N)CC2CC2)C1 1302467475 ANFKBLQFPRHHLL-DLBZAZTESA-N 422.555 1.194 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)[C@H](C)C2)c1 1303112802 PHPKFUFZJSCNAA-MRXNPFEDSA-N 400.504 1.897 30 10 HDEE Cc1cc(C)n([C@@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)n1 1304733807 OSUUAPTULGSMKR-FTHOYRMOSA-N 424.509 1.768 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)c1ccccc1 1316208303 CCKQAUOIZDZGCI-MJGOQNOKSA-N 414.510 1.867 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(F)(F)F)n(C)n2)c1 1357766686 GJYLSJSEVNDWQL-UHFFFAOYSA-N 420.391 1.926 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc(OC)c1OC 1358413660 CPCDUTCMSXDVNM-VQISRLSMSA-N 404.341 1.740 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1358886273 ARXQBQLGCXRNJV-XOBRGWDASA-N 416.551 1.901 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358999825 DYFCNSPUQHPWGV-HNNXBMFYSA-N 405.524 1.543 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCNC(=O)C(C)C)CC1 1359037885 BEAOLTOQKFTLGA-UHFFFAOYSA-N 422.577 1.981 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1359039902 AKADAHQAVCBJLS-UHFFFAOYSA-N 422.533 1.689 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)CC1 1359041397 VRAPJKPQCSYJCC-UHFFFAOYSA-N 422.533 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2nncn2CC)CC1 1359046727 CYCJNZHBXNLSOG-UHFFFAOYSA-N 424.553 1.636 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1359136915 YTCAXLQWUOSADR-UHFFFAOYSA-N 401.515 1.832 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1359238478 MCKCBTKATOAWJU-JOCHJYFZSA-N 421.505 1.775 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1359242545 JNKSKCUDXDWCSL-UHFFFAOYSA-N 409.494 1.388 30 10 HDEE C=CCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359290475 CLINHXNCGDQZIQ-KXBFYZLASA-N 404.471 1.774 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C(C)C)CC1 1359326523 CADAKBGTOOGEBP-UHFFFAOYSA-N 411.572 1.890 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1360218269 DLYKWJVTVKMAQJ-OAQYLSRUSA-N 417.558 1.657 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1360621526 BNFSQTMFSKLOJT-CQSZACIVSA-N 414.491 1.646 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H](C(=O)N(C)C)C2)s1 1444210341 OTPKQCBYDULMTE-ZIAGYGMSSA-N 413.565 1.518 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1455493491 JAYOROXFNNLYQZ-CABCVRRESA-N 403.545 1.634 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)cc1 1455652842 XROQHSAGJFLECJ-LJQANCHMSA-N 420.531 1.955 30 10 HDEE C=CCC1(O)CN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)C1 1455681888 LDXIGAPGGUHYOL-UHFFFAOYSA-N 401.467 1.560 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1460696349 AQLMYIHUWHKIFT-NRFANRHFSA-N 403.398 1.311 30 10 HDEE C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466907569 DJNXJUXUIZLDGP-XNDRKVBMSA-N 411.524 1.419 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nccc(C(F)(F)F)n3)C2=O)cc1 1470031795 ACBGCEGGMSTHPT-AWEZNQCLSA-N 418.379 1.967 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1470618660 VLENSZMGZJGFHD-JOCHJYFZSA-N 403.442 1.648 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCCNC(=O)OCc3ccccc3)CC2)c1 1471605728 RNBKBGXFZNXMDA-UHFFFAOYSA-N 408.462 1.711 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](CC#N)C(F)(F)F 1471960802 XLIRNJPHJWWOEC-VHSXEESVSA-N 401.407 1.275 30 10 HDEE CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)co2)cc1 1473849687 AMXYUENAGLVZKG-KBXCAEBGSA-N 421.500 1.115 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3cccc(CC#N)c3)C2)ccn1 1475477705 HXVRMTIFHOUHBV-QGZVFWFLSA-N 414.487 1.739 30 10 HDEE CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1478812013 HJHHSPUOCXETLM-RTBURBONSA-N 420.535 1.922 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@H](n3cncn3)C(F)(F)F)C2)nc1 1479113585 YAKRZJNPLLLYFI-KGLIPLIRSA-N 408.388 1.934 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1492908356 KHSLDWLOWRZUJN-HXUWFJFHSA-N 412.567 1.617 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)NC)CC2)cn1 1502227553 FUJOFPPKZBNANA-UHFFFAOYSA-N 419.493 1.543 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)NC(C)C 1507540589 FNBRGKJOXHIPIG-QGZVFWFLSA-N 403.552 1.849 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1507631261 NCPTYHPZACPCPR-AWEZNQCLSA-N 417.491 1.209 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634182 MACDYYTWYFZDRG-GHTZIAJQSA-N 416.547 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cccnc1 1507645086 VACXRZOUMGNOFY-UHFFFAOYSA-N 409.457 1.631 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1507690800 XAXCPIXONDWXSU-HNNXBMFYSA-N 417.539 1.006 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H](O)C1 1507702009 DQWNDZOCQUIHGX-DLBZAZTESA-N 412.494 1.563 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCCC 1507708991 PNVAJBWNQQVQQY-UHFFFAOYSA-N 413.478 1.329 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(O)cc2)CC1 1507718063 AHTPDBMFAQZEQS-GOSISDBHSA-N 413.522 1.706 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(O)CC(OCC)C2)CC1 1507734325 VFVYYTHHYDIUDC-UHFFFAOYSA-N 417.554 1.471 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508071080 AUAIXSWEIAZPKK-AEFFLSMTSA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnccn1 1508097661 JKGXWXJYAVBRHI-SJLPKXTDSA-N 413.526 1.925 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)C2)nnc1[C@]1(OCC)CCOC1 1508098365 ORBRWZAHCXYSFI-PMACEKPBSA-N 407.515 1.238 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)COCCO1 1510343159 BPAINBAJHJHKLX-VGOFRKELSA-N 424.505 1.714 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCOC[C@@H]1C 1513923105 FEUBFKZCZSAFTB-YESZJQIVSA-N 410.526 1.890 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H]([C@H]4CCCO4)C3)CC2=O)cc1Cl 1525760826 BVTZWLDLBXURHT-ZTFGCOKTSA-N 403.866 1.971 30 10 HDEE CO[C@@H]1COCC[C@H]1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1527211326 KTHBDTOPLDMITD-OYSJTAOWSA-N 409.508 1.880 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@H](c3ccc(C#N)cc3)C1)C2=O 1536663217 IYYKRYGMNLMEQM-TUAABQIMSA-N 410.474 1.959 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COC[C@@H]3C3CC3)CC2)cc1 1537608630 AFAIJTCQNYMGTG-RTBURBONSA-N 403.504 1.500 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1539003123 AFZJAGPXTZZLSE-GOEBONIOSA-N 413.478 1.115 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC([C@@H]4COC(=O)N4)CC3)CC2=O)cc1Cl 1539027416 SJSSOIQUKUVPGT-PBHICJAKSA-N 416.865 1.912 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539169267 ZICBAELFVXUHEC-IRXDYDNUSA-N 410.501 1.699 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1539179833 SEDMHGLKSRSIBS-MRXNPFEDSA-N 403.508 1.482 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539476876 GXEJMOXGNWGWCG-HKUYNNGSSA-N 423.521 1.516 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1540086877 FWACZYMELRFIGN-UHFFFAOYSA-N 404.540 1.614 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1540873560 BVBUMAZOPVPSHW-UHFFFAOYSA-N 412.542 1.373 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)C1 1540893078 WNBNDFTZVIHZCZ-OAGGEKHMSA-N 412.581 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccccc2OCC)CC1 1540898335 HGJPMDYBGVPVGO-UHFFFAOYSA-N 419.551 1.913 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1541116746 USFNWNYYNIKOPX-VLIAUNLRSA-N 404.465 1.810 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1545088977 AKOVRAJUQMPAMN-SCYHOBCLSA-N 416.482 1.271 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1545928596 FBPKLLGMOPTJRZ-HZPDHXFCSA-N 404.515 1.740 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1547495762 PAMMHYDKCQXRFI-HXUWFJFHSA-N 423.521 1.904 30 10 HDEE COCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@@H]1C(N)=O 1548380335 WVLSAAINFQSJSI-MRXNPFEDSA-N 424.423 1.896 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1555471706 ZBEFYFQVHHGDLF-UHFFFAOYSA-N 419.489 1.900 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 1558264695 XIATUGWMDFXQJX-CORIIIEPSA-N 419.425 1.841 30 10 HDEE CO[C@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C(=O)OC(C)(C)C 1558973320 MLJKFUACNXUEMH-GFCCVEGCSA-N 414.256 1.526 30 10 HDEE N#Cc1ccc(C2CCN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)nc1 1560025561 MFOJNVUBTFSMNJ-UHFFFAOYSA-N 409.534 1.994 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1560077153 BMYRLFHIWSPHNE-FXAWDEMLSA-N 418.563 1.494 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(Cn1cccn1)C(N)=O 1560214508 OJFGXBMCTPQJIU-AUUYWEPGSA-N 400.508 1.607 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 1561771149 SBIOGENBKDXVME-GOSISDBHSA-N 412.533 1.178 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2[C@@H](C(=O)OC)C2(F)F)cc1 1562197789 UFAFPXJOCAUGHH-KBPBESRZSA-N 417.434 1.669 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 1570419444 CJEGUODJQFZSTH-NHCUHLMSSA-N 410.518 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1587609521 QDTWPCYREZJUPB-OAHLLOKOSA-N 418.519 1.351 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)c2C#N)C1 1588069790 FDJMWASWFPWIMW-UHFFFAOYSA-N 424.548 1.525 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)OCC 1588122659 RFJQPFBLIGSVLP-ZFWWWQNUSA-N 412.874 1.073 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCC)CC1 1588638297 RJCOVSCHSDSUER-SFHVURJKSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@]2(O)CCCC2(C)C)CC1 1588749952 BAJWMDAWHNICJI-GCJKJVERSA-N 419.570 1.699 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)CC1 1588790842 FESOQTPSSGLSSP-QFIPXVFZSA-N 406.490 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NCCC)CC1 1588914088 WCEGHYIJHQNXPF-UHFFFAOYSA-N 411.510 1.155 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1593624880 CKSIEMYYUBLKCP-IEBWSBKVSA-N 423.521 1.154 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1593806707 DFMMAGIBKBVQMJ-UHFFFAOYSA-N 405.846 1.566 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1595116446 RQOGIPGDVGSWGE-SGXKBVARSA-N 411.506 1.962 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(CC(=O)NCCC)CC2)c1 1595710794 YVHRXROEZKKOBR-UHFFFAOYSA-N 419.547 1.204 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1596813252 GPHVQMLGXYNPFR-MJGOQNOKSA-N 424.553 1.879 30 10 HDEE CC(C)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1607295192 KJXNYYZEKKZZIY-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1610102350 QXNSTTWKYLMKQD-UHFFFAOYSA-N 408.510 1.348 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CNC(=O)c2ccccc2Cl)[C@H](C#N)C1 1611245672 RMAHKUCCKPVNRG-IUODEOHRSA-N 406.870 1.945 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1611313817 FAQVIJYGEWKQJL-HNNXBMFYSA-N 419.493 1.972 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)OC)CCN2C1=O 1615674988 AUYFJIZTPPXJRK-YOEHRIQHSA-N 423.477 1.324 30 10 HDEE CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O 1616151232 CYHDANDCUQMWGN-MJCUULBUSA-N 423.473 1.102 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnnn2C)cc1OC 1619190018 BEAGBHGZEUIREX-IBGZPJMESA-N 412.429 1.581 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1622385162 PLLMCGCSAXKJED-QUJCMNEKSA-N 405.476 1.622 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 1622824148 RPEGBCKCWOGHPH-HNNXBMFYSA-N 410.540 1.679 30 10 HDEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 1624590016 CKXZZWDPPRLFCJ-HNNXBMFYSA-N 403.460 1.181 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 1627256377 VJTGUMPKEVULKH-NRFANRHFSA-N 411.543 1.796 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 1627464159 LFIRWQDYZJHLLN-MRXNPFEDSA-N 423.210 1.623 30 10 HDEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CSC1 1629033727 GNUXQYRFZMYILC-UHFFFAOYSA-N 410.517 1.094 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC3CCOCC3)C2)c1 1633459251 ZTDZICWAQMBOLS-IBGZPJMESA-N 404.532 1.857 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CNC(=O)OC(C)(C)C)s1 1634768546 HUPRYABJXLKMBW-GFCCVEGCSA-N 417.553 1.784 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1635737064 DPJPTEFQTARZIS-GCJKJVERSA-N 410.474 1.620 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOCC(F)(F)C(F)F)c1 1635835318 QFAYBJJYSNZNHA-UHFFFAOYSA-N 400.325 1.770 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2)C1 1635972048 ONQKICAWNBXFDT-ORAYPTAESA-N 408.455 1.494 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(S(C)(=O)=O)c1 1636394313 YFGLHZWWCLZIQP-CYBMUJFWSA-N 421.500 1.576 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1ccccn1 1637568257 XMQRZVPGGKSPIN-KRWDZBQOSA-N 416.503 1.530 30 10 HDEE C[C@@H](C(=O)OC(C)(C)C)N(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1639328294 HMAOFWPZTJUTBP-ZDUSSCGKSA-N 421.519 1.836 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cn(C)nc1I 1639961875 JNBQEIDCBWZJBR-ZDUSSCGKSA-N 410.215 1.702 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CCO1 1640677049 HZCLINVUJVLKAW-FQEVSTJZSA-N 408.458 1.907 30 10 HDEE N#C[C@]12CN(C(=O)CCCOc3ccc4c(c3)NC(=O)CC4)C[C@H]1CS(=O)(=O)C2 1645997997 WZWLNDRKTSBMTB-MGPUTAFESA-N 417.487 1.127 30 10 HDEE C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCC2(CC1)CC(=O)C=CO2 1648474036 XSKYTTCKWDKYAB-MRXNPFEDSA-N 400.475 1.843 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)OCc2ccccc2)c1 1648939126 ILEZCXIKKJLJIW-UHFFFAOYSA-N 417.487 1.807 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 1654510774 RYOUQYYXIWKKKH-CAMMJAKZSA-N 400.500 1.891 30 10 HDEE COc1cc(COCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)ccn1 1654531388 UNXRJODMPBMPDL-UHFFFAOYSA-N 421.251 1.790 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@H]1C(=O)OC 1656493097 IJAOEIZCGRSSNL-HZPDHXFCSA-N 421.881 1.789 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)C1=O 1663042854 YOTHWAKOWAPKAB-SFHVURJKSA-N 402.520 1.956 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)CC1 1663202585 QFBPTLLKPFUABP-UHFFFAOYSA-N 402.266 1.385 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1 1663220974 JJMBDMJSLRSYID-HXUWFJFHSA-N 408.520 1.444 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1663387838 BTWGCRCXWJAHHQ-XMTFNYHQSA-N 410.492 1.285 30 10 HDEE C#CCN(C(=O)Nc1cnc(OC)c(Br)c1C)[C@@H]1CCS(=O)(=O)C1 1674402833 UBKIUJOTMBSWNT-LLVKDONJSA-N 416.297 1.815 30 10 HDEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(OC(F)(F)F)c1 1684990635 HDWUZEJYRWPBAF-SNVBAGLBSA-N 411.340 1.780 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cnc(C(F)(F)F)nc3)C2=O)cc1 1686341497 KTLYAQWGRVHLCO-HNNXBMFYSA-N 418.379 1.967 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccccn1 1689827913 JSXJBTWLTJORJT-HUUCEWRRSA-N 405.528 1.243 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1689851402 QEJXXGLPRXKYMN-QGZVFWFLSA-N 424.553 1.826 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC)cc1 1689860536 CASCMYJXMYNOPN-INIZCTEOSA-N 408.506 1.656 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689990188 MPYSLLBREMKXMF-IAGOWNOFSA-N 422.551 1.104 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1CCS(=O)(=O)CC1 1690099770 KRORARVXCLTYHU-UHFFFAOYSA-N 403.508 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCOCCOC)CC1 1690139723 YMPFRTFGSLVSRB-UHFFFAOYSA-N 415.494 1.475 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnc(C)s2)CC1 1690142513 PHNSAIPAHVWENC-UHFFFAOYSA-N 424.534 1.458 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1690669681 MDLAVPVXRFBWEL-UHFFFAOYSA-N 407.540 1.395 30 10 HDEE Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693495902 QIYHVAZNTGHANA-GPASRXLFSA-N 414.510 1.756 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1696675859 AQYVUMDXFVDNSD-BCOMRZATSA-N 412.519 1.648 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CCO1 1696965120 WMQDZJRYBPUPMJ-OAHLLOKOSA-N 420.420 1.050 30 10 HDEE C#CCCCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705521888 ONGPSGWDXJEDKG-UTKZUKDTSA-N 403.527 1.789 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705522310 ACGNEYWUZTYAJP-KRWDZBQOSA-N 401.511 1.702 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705560496 LBQUHDIZCDGFCM-CHWSQXEVSA-N 424.445 1.191 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1705580919 SRUFYNJYGMZDME-UHFFFAOYSA-N 413.441 1.610 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2ccnc21 1705630013 CJWKIJFRZWLHGZ-QGZVFWFLSA-N 411.510 1.261 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCc2ccco2)CC1 1705638220 CJQBQTPEFPHWKH-UHFFFAOYSA-N 419.489 1.313 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2nc(C)no2)CC1 1705652626 HISXYELTAJZMSE-UHFFFAOYSA-N 417.539 1.858 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705775768 LVLHFRLJZDNMBZ-MRXNPFEDSA-N 409.556 1.644 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1705782394 WADWTFVYCBCYGU-ZWKOTPCHSA-N 423.583 1.856 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccs1 1705884448 OXUJNBXJLHPMCO-IFXJQAMLSA-N 405.524 1.837 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1705931775 ZVYQYMDLVQXERP-UHFFFAOYSA-N 424.486 1.968 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1706935421 QXVIDBPDVYNUET-QFBILLFUSA-N 422.555 1.338 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1707951131 FCCCOCSFFNWCQT-OAHLLOKOSA-N 404.478 1.460 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1708248456 AUDYQJHPHPODPO-KZNAEPCWSA-N 404.515 1.359 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCN(CC)C1 1710735207 BSAZSQXJNOGFIK-GOSISDBHSA-N 424.553 1.750 30 10 HDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710802578 MYPMZQCYRNJVPP-MRXNPFEDSA-N 411.466 1.191 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)C1=O 1711272004 KGLKQYOQLZKREU-HTAPYJJXSA-N 424.505 1.680 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)C1 1712875811 IFGHHAHQFJLIEW-CKEIUWERSA-N 413.544 1.908 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1722293814 NVSOATGHAXIPSY-OAHLLOKOSA-N 416.489 1.626 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1722332251 HAZNNCKYGJAFAA-QZTJIDSGSA-N 407.584 1.762 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722333157 HPJGJNSYPZRFRP-KRWDZBQOSA-N 411.510 1.711 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1nnnn1CC1CC1 1722375852 SLRPHKMXVVGHIW-UHFFFAOYSA-N 402.462 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1722389639 JUHPPUJWAOEDKC-SBUREZEXSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1722395391 BVMNPOULFPAKSR-LJQANCHMSA-N 417.521 1.544 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)N(C)CC)CC1 1722442409 ZRQHXVOYYJTMHY-UHFFFAOYSA-N 424.549 1.305 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCOCC2)CC1 1722445190 TXTAMAWBMYGHGB-SFHVURJKSA-N 416.570 1.480 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722483748 IXXSCZYUQKRBTK-MCIONIFRSA-N 409.332 1.811 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722506711 VRQCWBAWSQGVDJ-YRNRMSPPSA-N 416.526 1.049 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1722523402 RRKKZXVREBLUGJ-INIZCTEOSA-N 403.508 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1722750302 MQNJTJKUUDJPDW-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@@H]1CCOC1 1726403695 KNSHNEKOBFNQGM-SFHVURJKSA-N 411.510 1.623 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CC)CCOCC2)CCOC1 1728815084 BXSAQPRFHJZQMU-DYESRHJHSA-N 419.526 1.866 30 10 HDEE CN(C)C(=O)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729305305 CCEPELWQFLMZGU-UHFFFAOYSA-N 409.494 1.949 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCOCC1 1730945476 FKNSDYOXKOJUKM-TXPKVOOTSA-N 423.489 1.376 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1740566286 FRUUPVKOUZJRDP-QFBILLFUSA-N 409.556 1.699 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1740666067 BFSWEOONMOHFCH-QFIPXVFZSA-N 413.522 1.879 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)CC1 1740694198 BVVISIZPEZTANS-KRWDZBQOSA-N 418.542 1.800 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)NCC(F)F)CC1 1740697457 FEUDGTVUJJJGAZ-UHFFFAOYSA-N 418.448 1.090 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740714887 NUHCSZAKTPIAEO-QGZVFWFLSA-N 411.535 1.752 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740961186 OBTKOXIJSGNXIP-DLBZAZTESA-N 411.462 1.594 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1740964454 PFDHVSMIMUJMPD-CYBMUJFWSA-N 405.421 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](OC)C1 1740993355 YNBMFDPDBWLLND-QGZVFWFLSA-N 420.535 1.703 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1741303272 SAVVHASIAUYOIE-KGVIQGDOSA-N 408.506 1.939 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1Cc1nnn(C)n1 1741644982 FOEJLKDZZVGKDG-UHFFFAOYSA-N 420.481 1.029 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1748639483 HXRXGSNARREUDX-RRFJBIMHSA-N 419.507 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@H]2C)CC1 1749001316 PSWIPHGFRSLUQI-SJLPKXTDSA-N 414.554 1.818 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749038553 LBHKICWDSLFTOI-SQGPQFPESA-N 406.552 1.923 30 10 HDEE C#CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749049294 HUNZMXXDPNJGIG-UXHICEINSA-N 422.551 1.292 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@H]1C 1749080867 WGVCSEZTJKPOTP-TYFMXVJSSA-N 404.511 1.534 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749120259 COEGIFLGRDEMPU-ACRUOGEOSA-N 424.549 1.916 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749640320 OIEFTEWKSWILCW-UHFFFAOYSA-N 400.443 1.533 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC)C2)C1 1749712976 OEEOMDPYNRSFNG-FGTMMUONSA-N 423.583 1.303 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[C@H]2COCCO2)CCO1 1750387910 DWPNSZXBMZSWER-HOTGVXAUSA-N 417.441 1.530 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@](C)(O)C2CC2)CCOC1 1751018391 NRJHTEAQMNCDBH-XUVXKRRUSA-N 407.490 1.922 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1751091405 HSWMYGIDSNACBA-BBRMVZONSA-N 406.450 1.543 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1751282735 PQMUZNSEMHMDDZ-BEFAXECRSA-N 416.432 1.943 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)c1 1751464072 MWCHEPAJNZUAAX-UHFFFAOYSA-N 406.446 1.923 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1751646607 FISPXCNQYVHNHZ-SFTDATJTSA-N 414.485 1.674 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760153266 LZHZCASLQVBZHF-ZACQAIPSSA-N 416.526 1.010 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760162513 VCLRAZWZSMIBJI-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1760245534 HGUYJWTULMOUJO-UHFFFAOYSA-N 417.477 1.348 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760336229 WHVNUIXMVICNRJ-NWGLXNPWSA-N 416.526 1.267 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760355297 FAEMSIFGSWCKNT-LJQANCHMSA-N 420.539 1.286 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1760489204 PKPGEGHKYZIHKX-HOTGVXAUSA-N 409.556 1.883 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1760502816 NACXCYMLRKUBNS-UHFFFAOYSA-N 406.512 1.199 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760510304 QCACPQWGCCKUTI-LLVKDONJSA-N 416.429 1.602 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760528607 HSWBGHCRYAUTBP-FQEVSTJZSA-N 407.515 1.236 30 10 HDEE CC(=O)NCCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1760683748 RADRYDGUJPSFNI-UHFFFAOYSA-N 410.526 1.695 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763522562 XTQTWLOXWDBCMZ-OSCRUYLVSA-N 423.477 1.482 30 10 HDEE CN(CCC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1767299391 JIAZLZHCCUXJGU-ZPHPHTNESA-N 410.482 1.441 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCOC 1767574005 CQTQMNKZEOJCEX-YCRPNKLZSA-N 414.510 1.423 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)C1 1768280711 GGTYVZNKURWUIR-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1771533292 GOVLNOXRAYCHTR-HNNXBMFYSA-N 423.445 1.476 30 10 HDEE O=C(CCNS(=O)(=O)/C=C/c1ccccc1)ON1C(=O)c2ccccc2C1=O 1772788747 GBISFAOIBSJOOU-ACCUITESSA-N 400.412 1.721 30 10 HDEE CN(C(=O)c1ccc(I)cc1)C1CN(c2nccnc2C#N)C1 1849630553 XIDRGRZUXRLZIJ-UHFFFAOYSA-N 419.226 1.914 30 10 HDEE COc1ccccc1CN1C[C@@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1=O 1850793996 HQWKKSTZSDRDOB-AWEZNQCLSA-N 413.455 1.309 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)[C@H]2CCC(=O)N2Cc2ccccc2Cl)NC1=O 1851582347 FGAQGDZTGFRWCS-CQSZACIVSA-N 402.838 1.152 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1851780404 AAYZWNBVYFTXOX-OAHLLOKOSA-N 406.446 1.059 30 10 HDEE C[C@H]1CC(=NC(=O)CCCN2CCS(=O)(=O)CC2)NN1c1ccc(Cl)cn1 1851928855 BEJRLTONCDRRCT-ZDUSSCGKSA-N 413.931 1.274 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2ccncc2)CC1 1853547863 QAJBSMUSKWTOIU-UHFFFAOYSA-N 407.540 1.035 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cncn1 1855447830 MQXILIXPCIEKFT-BEFAXECRSA-N 408.462 1.382 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@@H](S(C)(=O)=O)C3)CCC2=O)cc1C#N 1856469604 FKKKPJSLFXXUQO-CRAIPNDOSA-N 403.504 1.364 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1856828793 WKFMDYISOJPBGV-QZTJIDSGSA-N 420.554 1.707 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)CCn3cncn3)C2)CC1 1857260959 QXQVVIQCJCMPGG-INIZCTEOSA-N 407.478 1.190 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)Cn3nnc4ccccc43)C1)CC2 1857287464 PVUPUSUMZSHMCJ-IAGOWNOFSA-N 406.490 1.822 30 10 HDEE Cc1ncccc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857492946 ZYVKSGABQPRHPQ-INIZCTEOSA-N 405.458 1.799 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N(CCO)[C@@H](C#N)c3ccc(F)cc3)ccc21 1857959862 AGNIJKQIBLCHIB-FQEVSTJZSA-N 417.462 1.983 30 10 HDEE O=C(/C=C/c1ccc(F)c(Br)c1)C(=O)NCCN1C(=O)CSC1=O 1860732433 ATOBGYQGPKUAJS-DUXPYHPUSA-N 415.240 1.982 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860960707 XBGNSMIFSVMIKR-MRXNPFEDSA-N 407.430 1.212 30 10 HDEE N#Cc1nnn(Cc2cccc(F)c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095135 ACGNQKYXPAUWNX-UHFFFAOYSA-N 414.378 1.985 30 10 HDEE Cc1ccc(N=c2ccc(N3CCN(C(=O)c4ccnc(C#N)c4)CC3)n[nH]2)nc1 1889827874 SZNCEVJQMRVPAJ-UHFFFAOYSA-N 400.446 1.575 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 1963329848 LKNKHYFJRZIVEJ-KRWDZBQOSA-N 400.460 1.985 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)C1CCOCC1 2157013927 KOXRDEDEYUTUHD-UHFFFAOYSA-N 401.359 1.954 30 10 HDEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](S(=O)(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195273601 ZOGCMBMXZJSXSO-COJSNBRMSA-N 405.513 1.875 30 10 HDEE CC(C)(C)OC(=O)NCC1(CO)CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 2202905854 FMFCILHFZHECHM-UHFFFAOYSA-N 401.529 1.609 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221673536 BSFFFBNACRWEEE-HUUCEWRRSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384888 YNKZPKKLZDHMGX-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387674 YSHOCIJWBQVNAI-NEPJUHHUSA-N 406.292 1.352 30 10 HDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)[C@@H](C)NC(=O)OC(C)(C)C 2247823325 NSHXCAPDFPGDNO-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE CC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247825560 GIJLQKNDFJAQLP-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267704112 ILHQHDKAIFAWES-APXPCNQMSA-N 407.388 1.401 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H](O)C1(C)C 2282323340 ZFWCUXKOVMWTPN-CHWSQXEVSA-N 401.359 1.793 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](CN)C1 2282421360 MSZCIWIFLWCXLU-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3C[C@H]3CN)c(Cl)c2)OC1(C)C 2282496901 JDAAGUXADIKPNT-ZANVPECISA-N 421.155 1.918 30 10 HDEE CN(CC(F)(F)CO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505416 DAGJQYNNVVMVMD-UHFFFAOYSA-N 411.301 1.437 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H]3CO)c(Cl)c2)OC1(C)C 2282507743 LWCWPJZVQXLOQZ-RISCZKNCSA-N 401.721 1.688 30 10 HDEE CCc1nn(C)c(C(=O)N2CCCC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282561868 VEKMPNUNFDZRLR-UHFFFAOYSA-N 405.304 1.261 30 10 HDEE COc1ccc(C(=O)N2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282659115 GQORCYDAOODRGL-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCN(C)C1 2282827633 BDDQYDBNDJQOOP-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCSC(C)(C)C)n1 2282846605 MCYHNZFVPMLGHH-UHFFFAOYSA-N 403.379 1.529 30 10 HDEE CC[C@@H]1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282855385 CXCFZHZEJBLADN-CHWSQXEVSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(C=CCNC(=O)CCNS(=O)(=O)c2cccs2)OC1(C)C 2284014800 FJGDPWQXDQXSDJ-UHFFFAOYSA-N 400.331 1.720 30 10 HDEE CCC[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284393095 GPMTXTFWPROYOF-JTQLQIEISA-N 404.319 1.115 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284399912 PNLQVKKBAJIHLV-LLVKDONJSA-N 403.331 1.578 30 10 HDEE CN(C(C)(C)C(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284402525 JUWOKSCJISUDGP-UHFFFAOYSA-N 403.331 1.672 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC2CC2)C(=O)O)OC1(C)C 2284403028 QLJLDWUGRNWHAB-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CSCC[C@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284424884 OHRFTYQFHQWFBY-JTQLQIEISA-N 400.331 1.687 30 10 HDEE Cc1cc(CNS(=O)(=O)CC2(C)COC2)sc1B1OC(C)(C)C(C)(C)O1 2287106907 LUFGZXHWJAFLIE-UHFFFAOYSA-N 401.359 1.812 30 10 HDEE Cc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 2293143528 LFGXNWMCCCPHDV-OAQYLSRUSA-N 414.483 1.540 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(C#N)nc1 2296366876 MKWIFWZQKYGMJF-GFCCVEGCSA-N 402.423 1.876 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300229587 YQWDSAYGWBDSEH-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccccn2)o1 2330752660 NFHFIDGWSOFBAI-UHFFFAOYSA-N 414.447 1.863 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2363813082 UQCDELSYSLHOTD-HXUWFJFHSA-N 416.518 1.937 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)c1cnn(C)c1I 2365198059 DBYIPORWHRJHFC-LLVKDONJSA-N 409.293 1.502 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1 2365198251 YZZLSHFNZHHSTH-ZBFHGGJFSA-N 401.573 1.389 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365198976 KJJBGWKKLAXSEY-BFUOFWGJSA-N 401.525 1.684 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCOCC1 2365213478 WWXDNXHICHOVNU-HNNXBMFYSA-N 402.557 1.852 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793036 AQXXKFNDWBNSRS-HRCADAONSA-N 401.525 1.590 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCC[C@@H]1NC(=O)OC(C)(C)C 2372721437 FECJTIMJJCLZKZ-QWQRMKEZSA-N 400.497 1.009 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)cc1 20292636 CWTCNBZAVUQYJX-SSDVNMTOSA-N 412.479 1.250 30 10 HDEE C[C@@]12C[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@@]34C=O)C[C@]1(O)C[C@H](C1=CC(=O)OC1)C2 32916808 IQNBKMSBJXGCDH-VNOQEONHSA-N 404.503 1.898 30 10 HDEE C=CCN1C(=O)N[C@@H](c2ccc(F)cc2)C2=C1CN(CC(=O)NCC(C)C)C2=O 35945344 IHTAJLAQWUMVBG-IBGZPJMESA-N 400.454 1.947 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNC(=O)c3ccc(OC)cc3)cc2C1=O 55565680 VFQMCFDWEZLART-UHFFFAOYSA-N 407.426 1.637 30 10 HDEE C/C(=N\Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1)c1cccs1 105381839 ZMMRVEKPKSTQEO-FBCYGCLPSA-N 417.480 1.127 30 10 HDEE CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C 169294260 URGUBECARCAPRI-CZJXENCZSA-N 417.458 1.513 30 10 HDEE N/C(=N/O)[C@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 236339651 BARPHDFYCHHGMJ-SNVBAGLBSA-N 407.062 1.799 30 10 HDEE CC(C)(C)OC(=O)N(c1cc(B2OC(C)(C)C(C)(C)O2)cc(C#N)n1)C1CNC1 309996418 MROLMKSFDQRBIY-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 427712126 MCKXBOPOKNXFDB-QFIPXVFZSA-N 405.458 1.009 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 428008620 QGALDPDKHWFDCN-FDNSVCRBSA-N 417.513 1.776 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1ccc(F)c(C#N)c1 431624260 VRAARBFAANHPAF-UHFFFAOYSA-N 413.452 1.044 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCCOc2ccc(C#N)cc2)c1 461204719 XOFZIKRPDFDOIA-UHFFFAOYSA-N 416.459 1.697 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 473365645 CBQMITDGIBCTRG-IBGZPJMESA-N 405.458 1.340 30 10 HDEE N#Cc1ncccc1OCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 477069805 RXADMVXPWLGCEU-UHFFFAOYSA-N 414.487 1.823 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 480047175 PDDCDKGGGYLOAJ-OAHLLOKOSA-N 403.468 1.075 30 10 HDEE C=CCNC(=O)CN1CCN(c2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)CC1 485916372 BYURSDUJQLEIKR-ROUUACIJSA-N 424.549 1.668 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCNC(=O)c3ccccc3)C2=O)cc1 503991991 DSSDYGWBOVFIJR-IBGZPJMESA-N 405.458 1.783 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(Cc2ccccc2)[C@@H](C)C2CC2)c1=O 504912037 OYWAURPVNHGPCM-KRWDZBQOSA-N 424.501 1.371 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)Nc1cc(F)cc(F)c1 506879365 CLGISVWUOUQYEO-UHFFFAOYSA-N 420.401 1.612 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(C)(C#N)CC2)c1 507827115 QUGXNNZEFNVGMS-UHFFFAOYSA-N 420.535 1.599 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 508823060 BEFJRWVGTZCBIR-JKSUJKDBSA-N 413.544 1.048 30 10 HDEE C=CCn1c(CCC(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 508881584 QZWYFWFDUOGWMC-UHFFFAOYSA-N 416.570 1.993 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 543718009 QVTBSAKWCAUSDD-LJQANCHMSA-N 403.439 1.900 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546169726 JGXOJOZXINGUFJ-HNNXBMFYSA-N 416.478 1.851 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 549283188 XAXMJYYHUNECFR-INIZCTEOSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)c1 559199422 CLYVUOVFHHGUKL-SQNIBIBYSA-N 404.492 1.496 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 564759253 PLIONVANRUSBDW-AWEZNQCLSA-N 409.537 1.421 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N(C)CC(=O)N1CCOCC1 565432620 NFMFATBOXZXYCU-UHFFFAOYSA-N 416.865 1.152 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3cncc(C#N)c3)c(C(=O)O)c2)CC1 575377107 VZQFUYSJDXYJMH-UHFFFAOYSA-N 401.448 1.204 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1 586864055 IWSYBWLJKWJELQ-DNVCBOLYSA-N 404.486 1.567 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)ccc1Cl 604031531 HIRQVFJQPXGWMP-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 610115847 RNSHJSCBIOVLTE-OAQYLSRUSA-N 405.502 1.893 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 685531962 SNMXWMGAZFBYQQ-OAHLLOKOSA-N 405.503 1.592 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 730393311 HDPFPQNCQAJXQF-HNNXBMFYSA-N 401.419 1.696 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 732109283 DGZLESXLQQWAKT-INIZCTEOSA-N 420.535 1.365 30 10 HDEE COCCN(C)CCOc1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732677184 LFVNOZXLMKAIDD-HXUWFJFHSA-N 415.538 1.525 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(CC(=O)OC)cc2)c1 733249698 QGQFUPYPZXENJB-UHFFFAOYSA-N 400.456 1.325 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=Cc2ccc(-n3cncn3)cc2)C1 749787776 YHMODESXTAIOSA-IBGZPJMESA-N 400.483 1.091 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)CN2C(=O)CSc3ccccc32)c1 750415173 QCFFAWULRPETLO-UHFFFAOYSA-N 401.469 1.643 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 751723766 FNBQLKYEJDXPMU-UHFFFAOYSA-N 422.485 1.794 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCN1C1CC1 758456522 RFBOSWXOMFTNMC-CQSZACIVSA-N 412.309 1.745 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(F)c3cccnc23)c(=O)n1C[C@H]1CCCO1 759228226 UDWXCPASWGNCOB-OAHLLOKOSA-N 406.442 1.803 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 764143186 RZLVWJDWHOFNRU-UHFFFAOYSA-N 403.280 1.438 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)Cc1ccc(Cl)cc1Cl 768974033 YBTUQRUQWGOJFT-PFONDFGASA-N 404.275 1.939 30 10 HDEE C#CCN(C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 779681172 MQNOQGYOMAHOQT-MRXNPFEDSA-N 411.524 1.386 30 10 HDEE C#CCNC(=O)COC(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O 780118212 NBHZQEWHJXFIQL-AWNIVKPZSA-N 415.442 1.941 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 780690414 ZKUCGDIPDAXCCH-CVEARBPZSA-N 413.540 1.608 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@@H](O)c3ccc(C#N)cc3)C2=O)c1 780959018 CDTIHSNTMXBLLY-PMACEKPBSA-N 409.442 1.873 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)OCc2ccnc(C#N)c2)CCCC1 786303726 KQQNKCYVHXINPJ-UHFFFAOYSA-N 404.448 1.893 30 10 HDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)c(C)c1 789895155 QSKFCYCIQRECPZ-QQMHEVNUSA-N 410.474 1.750 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)n1 790115018 HUSZMNNWNVGLIV-UHFFFAOYSA-N 400.382 1.867 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 801958440 GOAPYEYDUGUNED-IRLDBZIGSA-N 404.505 1.856 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOC)CC1 802424311 KPRLSACOUHGBFI-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 802626959 RTSKURPZZYJNGY-KDOFPFPSSA-N 404.438 1.460 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)cc1C#N 803644031 DVRRLIDLLWPQBX-HXUWFJFHSA-N 420.513 1.864 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 804707656 CSYWWBPCEFVTQZ-ZACQAIPSSA-N 409.527 1.847 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)cc1C#N 805735360 FYJMYDFOWOTIFF-ZDUSSCGKSA-N 404.467 1.460 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccco2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084178744 FAWCNRXQNOHXHW-UHFFFAOYSA-N 411.403 1.458 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1125883904 PCRJFAPLNFOHJZ-QBPKDAKJSA-N 410.536 1.671 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Oc1cccc(OCC#N)c1 1129781101 KJOJFZSDFBHCML-UHFFFAOYSA-N 423.468 1.626 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnc4ccnn4c3)CC2)cc1 1131139526 HEQXKDZTNZPPBR-UHFFFAOYSA-N 410.459 1.640 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)NC2=O 1136085493 GTGXJBVCCHUPBK-NSHDSACASA-N 400.863 1.223 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)N(CCC#N)CCN2CCOCC2)C1 1136457948 LIYPLRSRZMHWKT-IAGOWNOFSA-N 412.506 1.656 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CNC(C)=O)cc2)c1 1146951298 QLVDTJAJBNETGP-UHFFFAOYSA-N 401.488 1.717 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1)C1CCOCC1 1148195072 SUIKCGMTZLFXQP-UONOGXRCSA-N 409.464 1.584 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3nc4c(s3)CCC4)C2)C1=O 1155685238 WLLHPPDARLJHOH-GFCCVEGCSA-N 402.476 1.315 30 10 HDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1158229519 BUYSOIFLBQCJCO-WMZOPIPTSA-N 402.476 1.243 30 10 HDEE COc1cnc([C@@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1O 1158516111 JYYDUFQRNYLDSD-HNNXBMFYSA-N 416.459 1.341 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1CC(F)(F)F 1162357749 DQXNNJLPBMCUGE-LLVKDONJSA-N 415.397 1.931 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3cc(C#N)c(F)cc3C)c(CCO)c2=O)n1 1177036778 WTVCFUNZQHSSMV-UHFFFAOYSA-N 410.409 1.679 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1191211942 RROMSMDUBLXUDO-XUSGNXJCSA-N 407.311 1.485 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1194086558 BAZXSNZKPGYUQZ-FGTMMUONSA-N 412.508 1.269 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1194897287 URZMTIATDJHPDW-GJZGRUSLSA-N 420.528 1.440 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1OC)C(=O)OCC 1213382277 BWWXNLGFZDZZHM-GFCCVEGCSA-N 405.856 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1286282995 RFKOUSNFPCFJAE-HNNXBMFYSA-N 423.477 1.348 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1286361248 MMGRPSUADDSFDN-CJNGLKHVSA-N 409.487 1.485 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](CC(C)C)NC(=O)OCC 1286407185 QUVSFPKVVDBNEG-GOSISDBHSA-N 411.510 1.912 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1 1286408204 AARSFPHKZSBTKI-GOSISDBHSA-N 418.563 1.992 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1286494196 SNEARGYXHLQPQC-KBAYOESNSA-N 401.511 1.173 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286555470 KPQFEJOGLHULIG-BHYGNILZSA-N 409.556 1.607 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286702750 VLTCKJRFYKLZEP-LJQANCHMSA-N 423.521 1.824 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1286720987 YDSDKXXVYKHPOV-INIZCTEOSA-N 409.498 1.264 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286789601 GFMWAXQERYDPKZ-AEFFLSMTSA-N 413.526 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286793468 FTBLKWNTUCOWIM-OFLPRAFFSA-N 404.515 1.315 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCO3)C1 1286799346 UZSRUHSDWSZECR-INIZCTEOSA-N 413.478 1.975 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1286967141 FENJLAGNEYUNEN-GOSISDBHSA-N 410.570 1.886 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC2(CCC2)C1 1293033129 TVHDHLUCQYKFQK-FOCLMDBBSA-N 418.494 1.857 30 10 HDEE N#Cc1cn(CCC(=O)N2CC(OCc3cccc4ccccc34)C2)c(=O)nc1O 1294004662 ASGQAUKUFGUMTM-UHFFFAOYSA-N 404.426 1.791 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1295067583 WGJFPIWBHQUIMC-UHFFFAOYSA-N 417.473 1.958 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCC[C@H]1C 1297188455 LVHUKZKEGKZXNR-SZNDQCEHSA-N 412.494 1.901 30 10 HDEE CNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1299119018 TUCRATYEUAVBEG-UHFFFAOYSA-N 405.462 1.739 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(F)c1C#N 1299485665 CGOLORFGYOSBHB-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE C#CCCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1300375675 ACYFEOYNHVMICB-GCJKJVERSA-N 415.538 1.935 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cnnn1 1300569418 KCXYBAVQXIUWFP-UHFFFAOYSA-N 420.477 1.502 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300760845 IBVCKDNBROMIGZ-IXDOHACOSA-N 403.552 1.786 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1300946316 ZXPLLVSDQLWTIN-OAHLLOKOSA-N 402.499 1.739 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301221477 KVLSFHYAGDMSOF-SFHVURJKSA-N 402.543 1.493 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCNC(=O)C1)C(C)C 1301366458 CJRIHAJONMQTQV-IBGZPJMESA-N 409.538 1.975 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301509036 ZTPCORFLZPWZKR-UHFFFAOYSA-N 424.530 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(O)(c2ccccc2)CC1 1301585874 CPOWLQHUBIKOHF-UHFFFAOYSA-N 404.536 1.929 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC(=O)NCC(F)(F)F 1301805100 DQCJDMICJVKOIW-UHFFFAOYSA-N 411.388 1.385 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)[C@@H](O)C3CCCCC3)ccc2c1=O 1301842233 QUNKFEQOMGDATO-MSOLQXFVSA-N 417.531 1.903 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1302782460 IHDPCRJAQCETJV-SKQREZPOSA-N 414.510 1.618 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1302989092 HVCWDMIULVUKFI-OALUTQOASA-N 408.462 1.741 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC2(C1)OCCO2 1303355285 SWNCBYJILJPPQN-INIZCTEOSA-N 402.499 1.699 30 10 HDEE C#CCN(C(=O)c1ccnc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655755 KHHZHCPVVZGFPW-UHFFFAOYSA-N 422.507 1.204 30 10 HDEE C[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1305009710 KXNIBZYLBRPVMJ-SJTPKYKMSA-N 414.510 1.935 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(c2cc(C#N)c(Br)cn2)CC1 1306985450 APYLCOVVQYXHSX-UHFFFAOYSA-N 417.329 1.593 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NCc1cccc(C#N)c1 1308151181 ZVGCVWLHKXJGAG-SFHVURJKSA-N 402.495 1.742 30 10 HDEE COC(=O)C1(C2(O)CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)CCC1 1312650224 GFAKJERRAHXOPO-UHFFFAOYSA-N 401.463 1.947 30 10 HDEE COC[C@@H](F)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315827275 SMUANZJVAHHXRM-ZBFHGGJFSA-N 414.489 1.592 30 10 HDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1316101166 IBMBFFFLKYZGJK-MRXNPFEDSA-N 424.571 1.584 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1316536291 GJAWJGKLUZHGRL-CVEARBPZSA-N 420.539 1.184 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1 1320152179 BSFWPULGKYXILE-AWEZNQCLSA-N 417.325 1.873 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1348036691 PYTRCOPGHGYPAY-CLCXKQKWSA-N 423.535 1.894 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1350976342 LWOMGFYXDQTGSK-OAQYLSRUSA-N 402.539 1.794 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(NC(C)=O)nc1 1358874210 UQCNXPREWDEZGK-HUUCEWRRSA-N 400.483 1.862 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1358898222 ONAKLHVFIWJQER-IBGZPJMESA-N 424.549 1.788 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1358948918 OVYVCGCTKIFQKH-OAHLLOKOSA-N 416.503 1.805 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@H]1CCS(=O)(=O)C1 1358953951 PRUVJEVGYFMGQL-INIZCTEOSA-N 402.520 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2C[C@@H]2C)CC1 1359047303 AEBDOKRHSXNDJR-OWLYRPNTSA-N 401.511 1.549 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359123639 DNONCNLQRRRDLY-ROUUACIJSA-N 402.543 1.524 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359203026 GWATYWPHJFVGEN-ZACQAIPSSA-N 421.567 1.499 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1359221394 AFSGYIQBVJJFNL-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@@H]1C 1359282913 WUHPBVNPOOODHB-XLIONFOSSA-N 404.515 1.318 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCCC)C1 1359317083 BIQOMFCDEJCFNJ-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1443671640 UPKOYNTUIVQTLN-HOCLYGCPSA-N 405.296 1.684 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cn(C)c3c(cnn3C)c2=O)ccc1OC 1443924327 HULYAUVBKBWNPP-CQSZACIVSA-N 409.446 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CCn2c(nnc2C2CCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)C1 1448347796 JVWGRCQOTQIJHN-HUUCEWRRSA-N 400.483 1.894 30 10 HDEE C#Cc1cncc(C(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)c1 1455667038 VZVRGNSZGZCDQR-QGZVFWFLSA-N 401.463 1.981 30 10 HDEE CCN(C(=O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1455828606 AIIVLYIRQZQSKS-UHFFFAOYSA-N 403.435 1.906 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 1458256358 XVSZHGUIPGVBKP-UHFFFAOYSA-N 417.491 1.629 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(=O)N[C@H]4CCCC[C@@H]43)CC2=O)cc1Cl 1466028043 ICLCISCRQNPJBE-COXVUDFISA-N 400.866 1.834 30 10 HDEE C=CCCn1cc(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1467878647 GKCBZABYVSSZKC-INIZCTEOSA-N 404.515 1.621 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OCC 1468126714 XUWWLBIVXBBNBT-MRXNPFEDSA-N 410.492 1.335 30 10 HDEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)cc1 1468178605 IPRYIFRCQXXQGZ-UHFFFAOYSA-N 405.863 1.015 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2OCC(=O)N3)s1 1468693297 ANPAGYRXEHZCKL-UHFFFAOYSA-N 407.473 1.725 30 10 HDEE C#CC[C@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1471522347 WXSFTRSOXOBIAB-HOTGVXAUSA-N 404.511 1.652 30 10 HDEE COC(=O)[C@H]1c2ccccc2OCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1473855903 UITSOVKGVLROEQ-GHTZIAJQSA-N 414.506 1.287 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1475861319 QBYDICYGFWPJHP-SFHVURJKSA-N 416.522 1.910 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)nn1 1477624646 AZGOTEYLRAAPEM-UHFFFAOYSA-N 406.512 1.540 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895836 GUHLZPPTYKJJJQ-WFASDCNBSA-N 414.325 1.704 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1csc(C)n1 1505000091 PKLXXPAWRFSJLE-CZUORRHYSA-N 406.512 1.739 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1507563361 GGXZBRVNQPVSRY-KURKYZTESA-N 423.583 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cn(CCCC)nc1C 1507636741 CXEKXUPTGQFVHO-UHFFFAOYSA-N 407.522 1.940 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1507668257 ZJPZRSVMXONEEO-INIZCTEOSA-N 408.462 1.153 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N2CCOCC2)CCSC1 1507981635 HLKLLBGDUSJPIA-HXUWFJFHSA-N 420.583 1.231 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508390262 WOUOOGNMFFVDJJ-RBUKOAKNSA-N 421.505 1.400 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1509938221 FDOOYGFZLWXGBD-UONOGXRCSA-N 410.482 1.578 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@H]1CCCCO1 1510147959 FPQUABVRSDIKNW-OWCLPIDISA-N 412.560 1.976 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccsc3C#N)CC2)c([N+](=O)[O-])c1 1515077591 YMPBZEYDYYQUGE-UHFFFAOYSA-N 420.472 1.894 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1=O 1515883539 DYUHBFKTYATFFW-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1517888363 CLUVAGUJAVQGJO-KUHUBIRLSA-N 419.507 1.698 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1518832175 BYRHMZBVJOOJBF-UHFFFAOYSA-N 407.434 1.278 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1527700756 PBHFRIYIXYQXPY-MRXNPFEDSA-N 416.478 1.619 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@]1(C#N)CCCOC1 1530676241 VMVQAAMFNJDZNQ-LJQANCHMSA-N 407.492 1.529 30 10 HDEE N#Cc1ccc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)nc1Cl 1531958207 JELHPDPQBOOXKP-UHFFFAOYSA-N 412.899 1.310 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC3CCOCC3)C(=O)OC)cc2C1=O 1533717009 KQRDOJFPCQGVLD-KRWDZBQOSA-N 400.431 1.557 30 10 HDEE CCc1noc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 1534146763 MLPGCDJYZZBHBD-JWGURIENSA-N 421.479 1.600 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1538993691 PLOXEEWXSROBBF-SJORKVTESA-N 411.506 1.895 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1539344647 FREANVPWMLEGMF-QFIPXVFZSA-N 411.506 1.925 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC2(CC1)COC(=O)N2 1539639575 ADWZMJXOYRMNCG-WBVHZDCISA-N 405.499 1.875 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1539758401 MOKUCJMQDRXLCN-UHFFFAOYSA-N 416.530 1.194 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1540072802 NTCVNFASNUWSOM-INIZCTEOSA-N 405.524 1.703 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1540077942 VOHGVNLNRXUDQP-AWEZNQCLSA-N 418.502 1.386 30 10 HDEE O=C(CN1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1)NCc1ccccc1 1540558476 OPCHLAQLGJUNEU-DHZHZOJOSA-N 409.461 1.869 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540866656 VMLOSKCOIXHPGL-IBGZPJMESA-N 417.901 1.258 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1541803108 CNYHHTNNGLBCRI-HOTGVXAUSA-N 418.523 1.499 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1542868097 MTPKFGKQRCLJRE-MRXNPFEDSA-N 416.478 1.537 30 10 HDEE CCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1547148650 WLIISOYWYZSGAL-MRXNPFEDSA-N 416.530 1.652 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)CC1 1557603610 PTASSMXRSUBJGY-UHFFFAOYSA-N 415.309 1.300 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1557770469 XZUZASSMEONSNN-AWEZNQCLSA-N 406.426 1.918 30 10 HDEE CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1558299891 RBDUEUIQWKTFAD-HOCLYGCPSA-N 422.445 1.570 30 10 HDEE N#C[C@H](CCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1558671100 GPKHLZVUXHOTJB-RPTYLJJZSA-N 403.504 1.086 30 10 HDEE COC(=O)[C@H]1CN(C[C@@H](O)CC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1560175579 VUVUMNFGSCRWRH-JKSUJKDBSA-N 407.511 1.773 30 10 HDEE C=C(CC)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1562067042 YVEORJLAUBAFIQ-CQSZACIVSA-N 401.510 1.240 30 10 HDEE N#Cc1cn(CCC(=O)NCCCCc2nc(-c3cccnc3)cs2)c(=O)nc1O 1565568767 KWMWPPKEGTVAJP-UHFFFAOYSA-N 424.486 1.868 30 10 HDEE O=C(Cc1cccnc1)Nc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1565629773 IDWMLBNWCJCHQW-LSDHQDQOSA-N 419.441 1.519 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)C1 1570073748 SRFOQJYCGUVIMZ-FQEVSTJZSA-N 413.518 1.798 30 10 HDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3ccc(F)cc3)CCOCC2)c1 1584871640 CZERNSQLMLCNFO-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1585296916 NRPISNIJIOYFSB-WGPYCZSNSA-N 406.483 1.568 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 1586784475 ZBLZEOXAAYSSHL-HNNXBMFYSA-N 416.474 1.860 30 10 HDEE N#Cc1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cnc1C(F)(F)F 1587429898 YVEPFFOSEYJVEG-GFCCVEGCSA-N 402.340 1.418 30 10 HDEE COCCOCCc1ncc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[nH]1 1587527158 QQQWDXUAUBMSOK-UHFFFAOYSA-N 401.442 1.588 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1587915875 UYRUKGZEPBHQPC-KSZLIROESA-N 407.559 1.959 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1588029838 MSSPIZMXGKDQQU-OWCLPIDISA-N 407.540 1.404 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1588228093 ANNYPJSMVREXGX-ROUUACIJSA-N 421.492 1.601 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1593775644 AKYWUWGBWNOWGH-TWOQFEAHSA-N 407.515 1.297 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1 1595496812 ICHYFQSVPISTAF-KRWDZBQOSA-N 422.493 1.689 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@]2(CCOC2)C1 1595522823 KPCKXCGBJHRCGC-NRFANRHFSA-N 413.478 1.252 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1595551101 LVZAYOHOYMSUJE-HUUCEWRRSA-N 409.556 1.355 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1597831562 CJCMSKUWEUPWCZ-SFHVURJKSA-N 424.505 1.920 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N(CCC#N)CCN2CCOCC2)s1 1598065258 BXWNUJGSOFVIRU-UHFFFAOYSA-N 423.539 1.856 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 1598407695 NBHVDKVAAVWYRA-IRXDYDNUSA-N 410.559 1.502 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1610087526 TVWVGTNWKKDFAD-AWEZNQCLSA-N 410.496 1.360 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)NC(C)(C)Cc3ccc(C#N)cc3)CC2=O)cn1 1610926915 QOVJUFVQHLBQEJ-SFHVURJKSA-N 409.490 1.892 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613085662 NFGMEZMXSQXALQ-LHSJRXKWSA-N 412.494 1.868 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1614185773 AVZQRTOIKRUYAU-FTFAEBDGSA-N 414.510 1.935 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN2C2CCOCC2)ccc1F 1617550802 OJEGRGXTYULKMT-INIZCTEOSA-N 411.499 1.273 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1619909598 DBWPEMZTJKJREX-DLBZAZTESA-N 410.544 1.157 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1624893777 JJBWRYTUFPHQFI-AWEZNQCLSA-N 417.487 1.514 30 10 HDEE C=CC[C@H](CO)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1626437009 CGEIKPNTAUHWKH-CQSZACIVSA-N 401.504 1.801 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2=O)cn1 1626963152 XIAWESFHHNKJMB-UYAOXDASSA-N 423.473 1.354 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 1627125261 KEMZMXZEMVCMSB-GVDBMIGSSA-N 407.492 1.525 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 1627848448 NINGBNSVMBQEFO-CQSZACIVSA-N 404.492 1.032 30 10 HDEE C#CCN(C(=O)Cn1c(O)nnc1O)[C@H]1CCOc2ccc(Br)cc21 1629238473 KTWRWBHWNWCLER-LBPRGKRZSA-N 407.224 1.437 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(n2nncc2I)CC1 1629391054 BNNIFFBGNOZZCY-NEPJUHHUSA-N 402.236 1.637 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 1630585968 ZXGNRXGUWGURPZ-KKUMJFAQSA-N 401.529 1.127 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1630940138 MULMKVFRGFMYOJ-SMLCLMEVSA-N 415.490 1.216 30 10 HDEE COCCOCCN1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 1631723712 VLBBUIULKNHJJR-UHFFFAOYSA-N 404.536 1.973 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)c3cn(C(F)(F)CO)nn3)ccc21 1634200579 WXYIEBBUMWEVIU-UHFFFAOYSA-N 404.377 1.655 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN[C@H](c4cn[nH]c4)C3)C2)C1 1634964296 DNCUNSDXRLKHEW-ZZUNWWICSA-N 414.510 1.669 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1635343166 NMZURLQXNWMREJ-HUUCEWRRSA-N 411.480 1.439 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 1636626508 CVJMEOJORGWRNF-SFHVURJKSA-N 421.519 1.840 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1 1636756170 ODYPEHGNZFSLAG-KHOFPDMRSA-N 409.490 1.826 30 10 HDEE Cc1[nH]nc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1I 1641702059 AVCHIBPKCCXWRX-LLVKDONJSA-N 423.214 1.883 30 10 HDEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)nn1 1643214369 XYUOGCYWWZRLQW-UHFFFAOYSA-N 404.279 1.366 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)n[nH]1 1645528550 QDZHEDBRWRUCKY-MRVPVSSYSA-N 416.385 1.130 30 10 HDEE Cn1nccc1[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1652542479 MRDWCTVFQNJELA-HLODAQRYSA-N 403.483 1.357 30 10 HDEE C#CCN1CCN(S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1655018607 QQGKXOGXRGIWMV-HXUWFJFHSA-N 419.547 1.758 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1659142268 GFOKXPFZYVPRPJ-IBGZPJMESA-N 403.548 1.396 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 1666874845 MFJMKBQWJGFFQD-KRWDZBQOSA-N 410.927 1.586 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1676726857 ONDIWUAADAIELK-KRWDZBQOSA-N 407.536 1.876 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2)c1 1682384388 CZUFQFDSOSTYDW-FCHUYYIVSA-N 411.550 1.763 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683735394 HTZARPRWJPYYJH-JKSUJKDBSA-N 410.515 1.993 30 10 HDEE Cc1cc(Br)cc(C)c1N1CCC[C@H](NC(=O)NCC#CCO)C1=O 1684766491 VETBGJLNLBMZFU-HNNXBMFYSA-N 408.296 1.856 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1689831626 OERCGAIPMLENMH-UTKZUKDTSA-N 405.543 1.499 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689982657 ROLMUZPQBYLAKR-GOSISDBHSA-N 413.503 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCn2cc(C)nc21 1690100947 IYCMBSXSAWFEPI-KRWDZBQOSA-N 406.494 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1690113452 KAIRWGHSOKUPAE-NHCUHLMSSA-N 403.527 1.255 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690506049 BALUFPRXUGJAFU-QGZVFWFLSA-N 401.515 1.766 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1690522766 NHOWJVURPBWKCL-UHFFFAOYSA-N 414.491 1.840 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnn(C)n1 1690603974 LWABIPCZTCATFY-INIZCTEOSA-N 407.482 1.036 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690667216 VJQYSJHJTNRDAX-CYBMUJFWSA-N 423.926 1.524 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CN(C)CCC)C1 1690670549 DROYABMQPRTGIG-QZTJIDSGSA-N 404.559 1.990 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc21 1690671133 PLEXFKAJIPAYAP-HNNXBMFYSA-N 401.492 1.177 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCOC1 1690725084 FDMNXPAKJQKGMF-QGZVFWFLSA-N 405.524 1.337 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1690992914 BNNXSFDFVIWCQQ-CLCXKQKWSA-N 420.539 1.392 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 1692848972 XSDUSPGOCYPNJS-INIZCTEOSA-N 402.499 1.161 30 10 HDEE CCN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1695508228 VUOIIPHWACECTQ-SQNIBIBYSA-N 421.505 1.451 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)noc2C)CCOC1 1696084561 BWXVIDAKXQNPFL-KXBFYZLASA-N 402.455 1.312 30 10 HDEE CCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696436187 QSDWVKXWCWIUHG-KRWDZBQOSA-N 401.540 1.847 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CCOCC2)C1 1696591912 FXZSZHFDPHOANQ-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCOC1 1697227700 CFJRCPHOOFEWST-SFTDATJTSA-N 410.478 1.324 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705695485 XLYSVTPHGRFJTG-KUDFPVQQSA-N 416.526 1.256 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1705816738 QVFBPYKSMOFKEV-UHFFFAOYSA-N 403.512 1.141 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1705819317 JCWZERJUYYKUKY-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705938853 LCJKGUKTKXGBCC-YESZJQIVSA-N 410.540 1.878 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC(C)C 1706422440 YDCGNIHMBQRQRX-UHFFFAOYSA-N 410.526 1.594 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1706971695 XFJAKCUHUPTBOS-MGPUTAFESA-N 416.457 1.946 30 10 HDEE C[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708081683 FOYBHVBZHYOKMO-SCYHOBCLSA-N 400.483 1.892 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1709398325 YLQSPOXIVQLPRA-CHYADLBTSA-N 422.555 1.707 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N[C@H](C)CC)CCOC1 1710456751 FXCZHGFDBHCYTP-UIAACRFSSA-N 422.505 1.677 30 10 HDEE CN(CC1CCCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711140915 AVKMBHOWZNAPLP-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(C)(=O)=O)cc1 1711874511 HGKLAVDZGXFAQQ-AWEZNQCLSA-N 407.496 1.506 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2)nnc1N1CCCOCC1 1712913204 XMGHWMKJOFVSKD-CZIZESTLSA-N 408.462 1.698 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1722353595 XZXZDBDBZQCAQT-KUHUBIRLSA-N 422.938 1.811 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1722362310 SSZZBNXYYLLCLW-HNNXBMFYSA-N 400.508 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCC1 1722380601 RNIMTYTXLRMUMZ-UHFFFAOYSA-N 402.458 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1722395465 FHSLNFUXHFMNFG-KRWDZBQOSA-N 400.508 1.109 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ccn(C)n2)CC1 1722449762 YVAPWYIHTPCPBI-UHFFFAOYSA-N 423.546 1.678 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1722464624 LXAHARWWYGPXOW-HXUWFJFHSA-N 419.551 1.331 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCO[C@@H]2CCOC2)CC1 1722560271 UNHOMJWNYJATNC-HZPDHXFCSA-N 413.544 1.240 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 1722729651 SJFSXXPBUGDQEN-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@]1(OCC)CCOC1 1722737161 VUSZHOFAJSEOMZ-KRWDZBQOSA-N 410.500 1.008 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1722858034 MXGGRTIHUZVKBG-QFIPXVFZSA-N 424.505 1.872 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1723893757 NMDWNIUGKMBGGD-AWEZNQCLSA-N 414.491 1.646 30 10 HDEE C[C@@H]1CSCCN1c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726757370 HEFMAUGOPMMKBM-XAGMJWQQSA-N 402.524 1.699 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCCCCO)c1 1731181636 RYLDWGAWYCQUEF-HXUWFJFHSA-N 410.522 1.890 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1731188562 HWGJLKQMLISUHH-WBVHZDCISA-N 401.492 1.499 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCS(C)(=O)=O 1740604010 NKJQKNBDCVLRSC-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740616767 GOTHACWOTPHEKF-KURKYZTESA-N 423.583 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCNC(=O)c1ccccc1F 1740684201 YFRVPYHFMGLVOF-UHFFFAOYSA-N 424.480 1.939 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1740825145 KAZCEFKSNQPSIN-OAHLLOKOSA-N 409.512 1.179 30 10 HDEE Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1742082239 GDGQJRMVDLNASE-MRXNPFEDSA-N 406.446 1.990 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)n1 1742333516 YRQQHMVCZRKXLU-SFHVURJKSA-N 411.510 1.490 30 10 HDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1746612019 HGHIZRSZAKMUHS-INIZCTEOSA-N 412.494 1.855 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1746669481 XFYPDRZUPPXKLG-UZLBHIALSA-N 402.499 1.339 30 10 HDEE CN(C)[C@]1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1747566266 DLPSLJLKAXCGJI-MSOLQXFVSA-N 404.519 1.558 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1748817255 HOKQPWIJVDQNML-QGZVFWFLSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1748846122 CXNVGGJSESMXIP-INIZCTEOSA-N 412.471 1.030 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)c1 1748933484 GYOOWFAPZVQVLG-KRWDZBQOSA-N 419.445 1.225 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOCC1 1749032264 AFJGVXXAVZPSQE-UHFFFAOYSA-N 410.503 1.395 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1749286918 VGBVJXGLHMUTCS-IFXJQAMLSA-N 422.555 1.056 30 10 HDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)CC1 1749364856 XZSLDTGRSKPSPW-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE COC[C@@H](F)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749375561 ZURBTICWWDRIDC-INIZCTEOSA-N 418.521 1.701 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC 1749592473 NAHPYHKXZMAPQG-UHFFFAOYSA-N 411.304 1.811 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750046248 VKYQWPGFWAXIJE-UHFFFAOYSA-N 408.510 1.350 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)C1 1750378215 FBLLMSLVXGGUGB-APWZRJJASA-N 418.498 1.673 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1752311908 HOQAGYNHPPTTIP-WBVHZDCISA-N 415.519 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1760105117 BJVVZRNWPWKKBO-ZDUSSCGKSA-N 402.886 1.734 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1760156961 ZJXAXGGYXYEMDG-QGZVFWFLSA-N 402.545 1.971 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760161785 QKLGOBINOALRCL-CVEARBPZSA-N 400.483 1.310 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760162953 VZNBDEKPEMXQAP-WOJBJXKFSA-N 400.571 1.800 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1760170936 SGTDWFKEBCYEEE-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1760196385 MPFZOSKPYMIXSS-JOCHJYFZSA-N 416.522 1.323 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1 1760243242 YRIZDMAGHIWGQB-AWEZNQCLSA-N 409.487 1.162 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1760248718 CWOXXMIITZPPEX-CQSZACIVSA-N 424.427 1.920 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccnc(OC3CCOCC3)c2)CC1 1760262125 URQSBBDVGDFWSW-UHFFFAOYSA-N 410.522 1.597 30 10 HDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760508544 QUFVMMRRUKSCRN-UHFFFAOYSA-N 413.873 1.120 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760514305 ARXYEMZRAPZNRB-BZSNNMDCSA-N 403.527 1.931 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1760528912 QPSSWDDSXHFJMX-KKSFZXQISA-N 415.494 1.819 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CC(OCC)C2)C1 1760542810 OIAKBYKPDBPEDU-WVNPWQTNSA-N 406.527 1.883 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1760688053 ZNGAPTOQEOZGKJ-HNNXBMFYSA-N 419.493 1.943 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(C#N)o1 1771214900 GIJJDCVVRVCRHW-GJZGRUSLSA-N 416.482 1.572 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(O)CCOCC2)CCO1 1771535910 CPSXTSGEJOXPLA-HNNXBMFYSA-N 418.885 1.654 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC[C@H]1CCS(=O)(=O)C1 1848912966 LUVORVPQZQORHQ-QUCCMNQESA-N 409.548 1.946 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(Cl)c3)CC2)cc1 1849809610 VFSGEUSOKJUUPE-UHFFFAOYSA-N 418.906 1.839 30 10 HDEE O=C(NCC#CCN1CCc2ccccc2C1)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1850213002 DUURPHCYIRSABH-FQEVSTJZSA-N 415.559 1.369 30 10 HDEE CN(C)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1850297477 AQFKZPANXWDRPE-MRXNPFEDSA-N 401.891 1.313 30 10 HDEE Cn1nncc1CN(C(=O)c1cnc(C#N)nc1)C1CCN(Cc2ccccc2)CC1 1853572895 PXKKYARKJXGHNA-UHFFFAOYSA-N 416.489 1.784 30 10 HDEE COC1CCN(C2CN([C@H]3CCCN(C(=O)Cc4ccc(C#N)cc4)C3=O)C2)CC1 1853806517 LWOXSLWNSDFMLI-NRFANRHFSA-N 410.518 1.413 30 10 HDEE COc1ccc(OC)c(CN2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)CC2)c1 1854005627 FZBZCOSFUISCSV-QGZVFWFLSA-N 414.506 1.500 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CCN1CCCC#N 1854270573 WNQFOGYVJWBGRD-UKRRQHHQSA-N 406.870 1.879 30 10 HDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854428669 FPCPVRMKXZOHDQ-UHFFFAOYSA-N 419.503 1.465 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@@H]1C 1854751731 QIGNBTUGBICMPS-ROUUACIJSA-N 419.547 1.723 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1 1854941716 SLRDALNXITWUKT-MSOLQXFVSA-N 414.506 1.511 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CSc3nccc(=O)n3C2)C1 1855312628 VHGDPUVWYWZBJQ-JKSUJKDBSA-N 402.520 1.404 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)c2ccc(N3CCOCC3)nn2)C1=O 1855853974 OZNXWMDIHJJQBZ-MJGOQNOKSA-N 413.522 1.875 30 10 HDEE CCn1nc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cc1C 1856389891 ICLFASHQZOGBFW-OAHLLOKOSA-N 408.462 1.230 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1[C@@H](C(=O)N(C)C)c1ccccc1 1857461631 WVVKKPHOBIUNNL-DNVCBOLYSA-N 405.458 1.456 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714791 XMGBWNLKSNMOQW-QWRGUYRKSA-N 403.526 1.857 30 10 HDEE Cc1cc(N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)nc(N2CCOCC2)n1 1889404550 FABUFWNNKRSUEN-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2054408890 WQNWGLAVHPHWPH-IRXDYDNUSA-N 407.492 1.684 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1 2119414057 HXGNCOHEOKJDIE-GFCCVEGCSA-N 401.510 1.924 30 10 HDEE C#CCN(C[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2169177299 UKMABUONKRBKPL-BBWFWOEESA-N 400.541 1.117 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1(C)C 2174779015 DRQNKOHZAIECAE-GJZGRUSLSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CF)(NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783932 ILZLQLVPEABCMN-KRWDZBQOSA-N 405.492 1.575 30 10 HDEE CC[C@@](NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(C(=O)O)C(F)(F)F 2180572311 MPKVAEMIOCOZSL-JGVFFNPUSA-N 406.201 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@](C)(CNS(=O)(=O)CC2(C#N)CCC2)C1 2199842840 MQIPUICZWUKBSV-KRWDZBQOSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(N)=O 2243313000 HDQWEVPPOGMRPQ-GFCCVEGCSA-N 407.276 1.138 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2243431306 FZZHUMUYBVGTII-AJNGGQMLSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247828653 ICQUCXBUIXPKAS-JOCQHMNTSA-N 420.319 1.742 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247865654 YLHRDNZOXABDQC-AWEZNQCLSA-N 423.319 1.272 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)n1 2247910965 QXNXVDDDBWIVRW-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258167462 GVHDMRSJMMMIND-KRWDZBQOSA-N 408.476 1.431 30 10 HDEE C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267368216 FURGVNOJOLUPDB-JNDILOIQSA-N 405.372 1.189 30 10 HDEE CN(C[C@]1(O)CCOC1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281938046 IMHOKDAXLMNEKO-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@@H](CCN)C3)sc2Cl)OC1(C)C 2281964227 VHWGCMDQJWOQGA-NSHDSACASA-N 400.737 1.891 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCCS(=O)(=O)CC3)ns2)OC1(C)C 2281991834 GNEJXQMJCKLILX-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)[C@H](CO)C3)sc2Cl)OC1(C)C 2282058605 WOWLKBYOSJROGY-CMPLNLGQSA-N 401.721 1.516 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](N)C4(CC4)C3)cc2Cl)OC1(C)C 2282313666 ODRWQGYZEXLUIS-NSHDSACASA-N 418.777 1.813 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1CO 2282322762 QJVAROCJUDTPOT-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCOC[C@H]1F 2282325436 FDPPORUMRCIYCK-VXGBXAGGSA-N 405.322 1.761 30 10 HDEE CCN([C@@H]1CCSC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329947 SVPXXBIKTHISEP-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CN(C)C[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282345560 HTFCOBVTFVVZEW-JOCQHMNTSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(CCO)CCC2)OC1(C)C 2282420065 ZYKRQISJUFHISI-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@](C)(O)CO2)c1B1OC(C)(C)C(C)(C)O1 2282499177 AYBYMBGHCSMSMC-MRXNPFEDSA-N 403.331 1.351 30 10 HDEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282828230 KPBFZPUVRJZREK-WDEREUQCSA-N 423.749 1.393 30 10 HDEE Cc1cc(S(=O)(=O)NCCCC2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282834313 SEAXBCSCEPXPEP-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@](F)(CO)C1 2282836830 PRVUBWQSQNBNLZ-INIZCTEOSA-N 405.322 1.451 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2C[C@H]2CO)OC1(C)C 2282866940 QWMVDRUWIZSCCO-RYUDHWBXSA-N 401.721 1.546 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NO[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284408499 ABOMCTAFFAUWQA-MRVPVSSYSA-N 405.303 1.347 30 10 HDEE COC[C@@]1(C)C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284686367 YHBFOMOOAVVQLK-SJKOYZFVSA-N 401.359 1.998 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367795124 KXMRXOUTVAKHEG-OWCLPIDISA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806151 ILAUXSVPUAXPES-CLCXKQKWSA-N 400.541 1.483 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369523538 DKGJEZQZJJCKPI-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CN(C[C@]1(O)C[C@@H]1C(F)(F)F)C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F 2370376576 FZPNADSNFHHGMA-WLGLDCGKSA-N 404.229 1.758 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)NC3(C#N)CCCCC3)c2C)nn1 23571672 AJSLLWJBOBDPAX-UHFFFAOYSA-N 412.450 1.869 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)Nc1ccccn1 58997215 QBLXUSIHOFRFJF-QGMBQPNBSA-N 414.407 1.990 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@@H](C#N)[C@@H]3c3cccnc3)N2)CC1 72444663 RRYSRZNFCOQUHZ-GJZGRUSLSA-N 422.445 1.248 30 10 HDEE CCCN(CCCS(=O)(=O)O)C1=CC(=O)/C(=N/Nc2ccc([N+](=O)[O-])cn2)C=C1 135765290 HKJSGHIZAWWIAC-XDJHFCHBSA-N 423.451 1.770 30 10 HDEE COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1S(=O)(=O)NC1CC1 427254614 AYUDSFIRVFHSQM-UHFFFAOYSA-N 422.488 1.512 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N2CCCCC2)CC1 437556576 JFSPKCAZMPETGX-UHFFFAOYSA-N 413.522 1.764 30 10 HDEE COCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1=O 461258186 WARAMPVYKVQUKX-LJQANCHMSA-N 424.505 1.681 30 10 HDEE C[C@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)N(C)CC(=O)NC1CC1 469059075 QJGZTOVQRZYRDG-HNNXBMFYSA-N 411.506 1.807 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@H]3COc4ccccc4O3)CC2)c1C#N 472048810 NJKXGXNAJBXAPG-INIZCTEOSA-N 410.478 1.662 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 476220515 NMWNWFXFQBEXGP-LJQANCHMSA-N 411.506 1.560 30 10 HDEE CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@]2(CCOC2)O1 483158665 VFUXRTPXLFGERA-LVCYWYKZSA-N 418.563 1.727 30 10 HDEE COc1cc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] 485735385 FQUZNEJDUOFPKP-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCCN2CCN(c3ccncc3)CC2)ccc1F 488756577 DGWLZMXPAGJIGT-UHFFFAOYSA-N 403.483 1.583 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 504724554 HMLRJTRDIHUNET-CABCVRRESA-N 410.496 1.423 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4sccc4C#N)CC3)C2=O)n(C)n1 505862190 ITNXCACLYDBNNH-INIZCTEOSA-N 412.519 1.615 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 507735089 PDECKEAZRIMSQO-UHFFFAOYSA-N 402.480 1.007 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 524496374 OIPKOYAKVMMNCA-UHFFFAOYSA-N 400.401 1.715 30 10 HDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 524575176 GMKHJLNFZPNWFW-DOTOQJQBSA-N 422.526 1.699 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C3CCOCC3)nnc12 531304288 WJJFSXUQBGIRJJ-UHFFFAOYSA-N 413.503 1.960 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](Cn2ccc(C(F)(F)F)n2)C(=O)O)ccc1F 547874172 QIGQRNJMCITQBE-NSHDSACASA-N 406.317 1.344 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 574305352 KHBCERVLFLVVEY-ZIAGYGMSSA-N 407.478 1.468 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 589797982 ZZFQEMNCWHURMX-KRWDZBQOSA-N 405.414 1.106 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H]2CCN([C@@H](C)c3ccccc3)C2)C1=O 591152558 UWVGKDAQPQUUSC-WMZOPIPTSA-N 412.490 1.647 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)ccn2)CC1 609029661 SQRXNPUMONXKAM-UHFFFAOYSA-N 421.505 1.533 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609988162 OGBALDPSXYYTKF-LJQANCHMSA-N 405.458 1.769 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 669808012 VFBVVFVQPFSACX-AWEZNQCLSA-N 412.560 1.159 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2C#N)[C@@H](O)C1 702788676 ZOLODFCUQKNNRV-OCCSQVGLSA-N 415.899 1.718 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1cc(C#CCCO)cs1 703969230 HOXUPLBPBUFEFY-UHFFFAOYSA-N 418.496 1.198 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(F)cc1F 729668194 AIXUWBLIQWYMAT-UHFFFAOYSA-N 405.389 1.852 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CN2CCN(C)CC2)C1=O 730144143 XUZLZLOJIBUAHX-PBHICJAKSA-N 421.542 1.529 30 10 HDEE O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN/C(O)=C1/N=CC=CC1=O 731862576 HMDOKAKSBKXWGW-MRCUWXFGSA-N 414.506 1.352 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1 732494798 NJKUQPWGUGTWKN-ICSRJNTNSA-N 416.437 1.810 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(C#N)cc1 740206783 UPQJMINCVTYKBA-KRWDZBQOSA-N 406.391 1.433 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@@H]32)ccc1F 755154549 AEUMSIAXKYLPSU-HYVNUMGLSA-N 412.483 1.699 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C1CCCC1 757439940 VPLNZZXZJKZBTN-UHFFFAOYSA-N 406.504 1.734 30 10 HDEE N#Cc1cccc(N2CCN(Cn3ncc4cn(-c5ccccc5)nc4c3=O)CC2)n1 760554151 YIOOVUNREKCVCV-UHFFFAOYSA-N 412.457 1.629 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)c1 764216959 ONBKJZSNFDWWOB-UHFFFAOYSA-N 402.458 1.962 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 767318711 GQXPIJFMHQYQBZ-MOPGFXCFSA-N 420.531 1.976 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 767698565 SVFWHXFCZVBLHI-OAHLLOKOSA-N 410.492 1.792 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C 767879675 JGGNFXREQHAZQC-UHFFFAOYSA-N 410.524 1.693 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 771300975 ROGHNZKQQYJMHU-INIZCTEOSA-N 408.545 1.773 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 773575387 LPWLALDKESVKGJ-PMPSAXMXSA-N 415.498 1.435 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN(CC(F)(F)F)C2)c1 776628663 SZZHNDRIZPJIPW-PXLXIMEGSA-N 418.441 1.932 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 778329144 FHWFREQAXXFINU-IRXDYDNUSA-N 408.543 1.468 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 785364586 VCFTWTXBCMOJMF-DJJJIMSYSA-N 418.471 1.732 30 10 HDEE CN(CC(=O)NC(C)(C)C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 787865976 ZEXPMSCHXZKFQE-UHFFFAOYSA-N 422.551 1.659 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)n1 789179988 TTXYTWXATAKLNX-LJQANCHMSA-N 410.478 1.265 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCN(Cc3ccccc3)CC2)n1 790105365 XJLFXXQLVCWEMT-UHFFFAOYSA-N 409.534 1.309 30 10 HDEE COCc1nc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)co1 790841397 FMMYMMWHCHMAJW-UHFFFAOYSA-N 400.210 1.574 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1)[C@@H]1CCCO1 806746900 WJNUAMPZBLGLQO-WBAXXEDZSA-N 417.462 1.297 30 10 HDEE COc1ccc(NC(=O)[C@H]2CCCN2CCS(=O)(=O)c2ccc(C#N)cn2)cc1 808735176 PLFCGKDLDZMWPG-GOSISDBHSA-N 414.487 1.839 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 813719190 MCGKBDNOMAKEFR-WBVHZDCISA-N 400.483 1.652 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C[C@@H](C#N)CCC#N)CC1 917009186 KVYFFVAARVGJCS-MRXNPFEDSA-N 424.548 1.148 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(Br)cc1C 919728399 PBTYFYNNOILAKJ-CQSZACIVSA-N 420.350 1.877 30 10 HDEE Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(Br)n1 1130975168 SIXCTQSJDOJVEF-UHFFFAOYSA-N 412.269 1.627 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1134899017 DAIINSDSWSYFPI-UHFFFAOYSA-N 418.475 1.495 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)cc1 1146964138 MRLWTMIOJPNTTO-UHFFFAOYSA-N 412.471 1.462 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 1147283449 KBQNPAZINKONJP-OAHLLOKOSA-N 404.308 1.970 30 10 HDEE Cc1ccc2[nH]c(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2c1Br 1148393322 XHQINWJGNFNQPD-UHFFFAOYSA-N 416.235 1.803 30 10 HDEE Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cnn1CCC#N 1153447842 MLYFFDPTOSOEIP-UHFFFAOYSA-N 419.463 1.084 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1 1154958681 INQDAXHMNXPZFR-ZIAGYGMSSA-N 408.480 1.253 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc3c(s2)COCC3)c1 1157375256 VRXSJAUBLOCYIM-UHFFFAOYSA-N 405.501 1.100 30 10 HDEE Cn1c(=O)[nH]c(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c(C#N)c1=O 1162189946 LOWIVKNBKVASIE-UHFFFAOYSA-N 409.368 1.413 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H](O)c1ccccc1)c1cc[nH]n1 1163900845 CLCPSNSKIMPQTI-XLIONFOSSA-N 414.462 1.808 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(CO)CCc2ccccc21 1164472809 QKIHQIGCTXEXHE-QVKFZJNVSA-N 413.499 1.218 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c(=O)n1CCO 1166713281 CWIZFSOCSFJALX-UHFFFAOYSA-N 412.446 1.050 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1[C@@H](C)c1ccccc1 1189746025 VRIIIFCUADISKX-INIZCTEOSA-N 420.469 1.785 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1197768718 IMKMVWQOKGAUHJ-QHCPKHFHSA-N 418.582 1.877 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCc3ccc(N4CCCS4(=O)=O)cc3)CC2)C1 1225773012 XCQWIRCXHVUPHO-UHFFFAOYSA-N 419.503 1.774 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286297146 UXQROJDPUHQRMJ-KEYYUXOJSA-N 424.461 1.237 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnc2n1CCC2 1286362919 KWDHWKUSTOVELH-UHFFFAOYSA-N 415.299 1.702 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC(F)F)c1 1286372761 XWIZEBQTNVXWKA-CYBMUJFWSA-N 405.405 1.957 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1286375437 YOJUKKMJEVTCGR-UHFFFAOYSA-N 406.498 1.203 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](OC)C(F)(F)F 1286465304 LMBOULCRQOIAIQ-STQMWFEESA-N 403.405 1.283 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](CC)OC)CC1 1286480903 QWLRAAWGAUKXGV-FXAWDEMLSA-N 411.506 1.971 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1286526542 UUOQADDWVDNZCV-QFBILLFUSA-N 410.540 1.225 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1286748990 HRNJBVKUZZWLFY-CQSZACIVSA-N 409.537 1.528 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286770566 OXAMAWZDWZTFKZ-OAHLLOKOSA-N 416.507 1.091 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286771240 DLIDAIILJZCVJH-UHFFFAOYSA-N 410.478 1.067 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1287420066 PNYIPTULNXHJOX-QGZVFWFLSA-N 402.451 1.422 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)CCC1 1296258120 YPVCEZGFQGDSAU-QRWLVFNGSA-N 422.505 1.750 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1300329897 STWFFMQANZIQLM-PTDBIEIZSA-N 419.526 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1300581427 SDJQIQCERIDZHT-IBGZPJMESA-N 413.522 1.525 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1300649827 WWGHRDZRQKGZBB-AVRDEDQJSA-N 413.497 1.628 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300756640 RGDYXQIMUNSNAD-HNNXBMFYSA-N 418.567 1.290 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301257692 CTCHPZBJQDQKQH-HZPDHXFCSA-N 404.471 1.644 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@](C)=O)CC1 1301287517 UMABSUPTBOOXET-NDEPHWFRSA-N 422.580 1.772 30 10 HDEE C=CCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473780 LVFUDBBSFSNTOQ-GASCZTMLSA-N 419.530 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCO[C@@H](C)C1 1301483453 OSRJILCWUUZQKM-LBPRGKRZSA-N 423.315 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(CCOC2)C1 1301588517 GIIQZUMYTAVPIK-APWZRJJASA-N 410.540 1.737 30 10 HDEE COCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1301601273 ARGLMWZVMFVBLW-KIJUOZEOSA-N 418.498 1.171 30 10 HDEE CC(=O)N1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)CC1 1301662233 BUHCPJZMRLXOFY-HNNXBMFYSA-N 401.515 1.511 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1302095942 GHOMOEZCAIQLHQ-ZWKOTPCHSA-N 420.558 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1 1302312076 VPKBLMXTJQDUAP-WDSOQIARSA-N 413.478 1.810 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H]1c1cccnc1 1302586494 SHRCNLXFQNDWIQ-GHTZIAJQSA-N 407.449 1.961 30 10 HDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1302803468 LJYMXJVQXYNCNB-UHFFFAOYSA-N 420.564 1.651 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OC 1309864448 UZCKHTUYYQQMKP-ZDUSSCGKSA-N 405.494 1.275 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCC1(c2ccccc2)CC(O)(C(F)(F)F)C1 1312354013 POWNHJUWHLNOBU-UHFFFAOYSA-N 420.453 1.912 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315813775 BDCHVDBAKFTPEH-KRWDZBQOSA-N 422.468 1.918 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCn2ccnc21 1316102552 YCOGWCMHZRJGNU-HZPDHXFCSA-N 412.498 1.370 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)c1ccccc1 1316208301 CCKQAUOIZDZGCI-HKUYNNGSSA-N 414.510 1.867 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1316349561 UMJMKKLDHGRICM-IRXDYDNUSA-N 401.492 1.619 30 10 HDEE C[S@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1316365596 GWENPJMJQVHGCM-UULLZXFKSA-N 408.503 1.144 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 1320462055 BBWNGUCVKGQRMK-INIZCTEOSA-N 414.487 1.831 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1350629836 ZJNQVUSGFROVPU-CQSZACIVSA-N 417.491 1.218 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1358904966 PMJDHYKYQIOBBG-AWEZNQCLSA-N 407.544 1.370 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1358946666 DNPVPDLBLOHUII-HNNXBMFYSA-N 407.478 1.384 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1358979189 FRJILVPXPHOEOP-SQNIBIBYSA-N 419.551 1.120 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1359229793 VIQFWORZCONDMN-HNNXBMFYSA-N 404.515 1.641 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC 1359259322 RRWLKNBCAFAZTR-QGZVFWFLSA-N 405.524 1.871 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1360473974 DRMBFUMMWGVQSS-FUHWJXTLSA-N 412.542 1.954 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCOC[C@@H]2OCC)c1 1434892987 AVDMMXDMKVXVNG-CTNGQTDRSA-N 414.502 1.691 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C1CCN(C)CC1 1439603482 LHCXWBXGFKYCTC-QFIPXVFZSA-N 412.490 1.018 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cncc(Br)c1C)c1cc[nH]n1 1456457263 NJAGNMWALVNDCM-UHFFFAOYSA-N 410.228 1.798 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)cn2ncnc12 1464555014 JPEGQYVMNLWMGH-UHFFFAOYSA-N 407.272 1.180 30 10 HDEE CC(=O)Nc1cc(F)c(F)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1464660018 GULARPMSVXSING-UHFFFAOYSA-N 408.386 1.712 30 10 HDEE O=C(COCCc1ccc(Br)cc1)NCCN/C(O)=C1/N=CC=CC1=O 1464926108 POJMAMSUPMCTSN-ZCXUNETKSA-N 422.279 1.651 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)C1(C#N)CCSCC1 1466159269 IMGHLVZFRBFRSM-UHFFFAOYSA-N 402.520 1.957 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1466821089 BWROASDRKUBKEU-OAHLLOKOSA-N 412.402 1.161 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1cnn(-c2ccccc2)c1I 1467456542 VKISYLRMKINVHL-CYBMUJFWSA-N 409.227 1.981 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)nn1 1467826556 ODNVAGSMAQMBSM-UHFFFAOYSA-N 412.541 1.556 30 10 HDEE CC[C@@H]1COCCN1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1471721977 VWFSZHJHCDMCIW-QGZVFWFLSA-N 421.339 1.984 30 10 HDEE CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@H](O)c1cccc(C#N)c1 1473620528 KJMWFQLSVZZJNU-SFHVURJKSA-N 402.476 1.200 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 1475402644 FWRLNAKMCOKRTK-LJQANCHMSA-N 419.528 1.834 30 10 HDEE Cc1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)nn1-c1ccccc1Cl 1476339772 HWIUZAFTEHMYIY-UHFFFAOYSA-N 413.825 1.790 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)O1 1497478223 VUHWMBXLZAPTRG-LUXYFRNMSA-N 412.560 1.832 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1499162737 UMNWQZSPDISWTE-GOSISDBHSA-N 424.553 1.402 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2conc2COC)CCOC1 1502628292 OOWXMLONBSTDHY-LIRRHRJNSA-N 404.471 1.709 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1503276323 XMLZZJKKAIFBGI-IBGZPJMESA-N 417.539 1.800 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1507533895 QFUXBJJWTUWLNF-OAHLLOKOSA-N 421.505 1.422 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507596760 PDBQWWRKJRKFCK-HXUWFJFHSA-N 422.533 1.198 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1COCCO1 1507709316 SQUGNXCTRAYWEZ-SFHVURJKSA-N 407.474 1.995 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507966975 DZUHOVAGSDJXDH-OALUTQOASA-N 405.543 1.533 30 10 HDEE C=CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1507989271 AOKPDXJSHAYYEI-OAHLLOKOSA-N 402.524 1.776 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1507991425 PNRLODQHKDQORK-VLGSPTGOSA-N 413.482 1.098 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CC1 1513308617 GYYZFJRNVXEZRL-ZDUSSCGKSA-N 410.544 1.370 30 10 HDEE CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1514205225 UYULXRWUPAABAF-LAQIPUCWSA-N 422.555 1.707 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1516863743 SABKZZNXONPGQF-WRONEBCDSA-N 412.519 1.302 30 10 HDEE CO[C@@]1(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1517943515 ARQPMTYXZBAIIO-JOCHJYFZSA-N 424.505 1.714 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1conc1COC 1519255756 AXXFBQRCMMYTPM-CQSZACIVSA-N 404.471 1.925 30 10 HDEE C=CCc1cc(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc(OC)c1OC 1535674837 UBTJZTDNHLVFEK-MOPGFXCFSA-N 404.507 1.928 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCc2n[nH]c(C)n2)c1 1539046194 OKQVIJHZQAVCDL-UHFFFAOYSA-N 418.505 1.956 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1539232539 HCZGLFROSUEBHE-XSLAGTTESA-N 405.502 1.456 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1539232672 LZYFHKJCVCXIPY-QGZVFWFLSA-N 414.473 1.457 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc([C@H](C)OC)n1 1539318782 XWOCBTKZSUTXHS-HOCLYGCPSA-N 412.519 1.904 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1539371984 MBXMCGHWUWQBGI-MRCUWXFGSA-N 422.464 1.994 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NC(C)C)CC1 1539453318 IAAZKENGMLNKOM-UHFFFAOYSA-N 412.513 1.678 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1539525943 GQINZKLUUBXVEI-IRXDYDNUSA-N 403.552 1.915 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539997237 IZMKBXQCHPAUEC-UHFFFAOYSA-N 414.514 1.219 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O)C1CC1 1540101593 HWZCWGZFGWABTE-UHFFFAOYSA-N 419.507 1.768 30 10 HDEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 1540577477 VUSHUOJDXYDMFS-DLBZAZTESA-N 400.385 1.249 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1540873904 NQHPAYMRFXZZPM-UHFFFAOYSA-N 422.533 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1540900964 OPMCHFMEQKWFEE-UHFFFAOYSA-N 418.523 1.033 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1541804798 CNGPEBPCAANRHU-CJNGLKHVSA-N 413.457 1.735 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cnn(CCC#N)c1C 1556512697 MLWVUXQBMSPKQV-MRXNPFEDSA-N 419.482 1.730 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](CO)c3ccc(F)cc3)C2=O)cc1 1557026466 LKHNMMGALDYCHP-APWZRJJASA-N 424.432 1.795 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC1 1561764872 MHLVDWXKJLZLGE-UHFFFAOYSA-N 422.322 1.001 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1567388092 OJJCMEAJBYYZLN-CABCVRRESA-N 409.483 1.612 30 10 HDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)cnn1CCC#N 1568837857 ZSJCSWLNPMUQHI-MRXNPFEDSA-N 417.491 1.503 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1nc2cc(Br)cnc2[nH]1 1569488628 QYILJQXUJLMKIR-WYMLVPIESA-N 405.212 1.575 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CC1 1569760808 ZTNWMBAOFLNTOR-GOSISDBHSA-N 417.510 1.584 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1C#N 1570696526 BEBODPDBQXCUMS-SFHVURJKSA-N 407.517 1.582 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1587921614 DACFSJFNADAIPG-QMMLZNLJSA-N 404.511 1.726 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(N(CC)CC)nc1)[C@H]1CCS(=O)(=O)C1 1588035609 VZRVVDZVZNBFOA-SFHVURJKSA-N 416.551 1.503 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)C1=O 1588208960 CNKDATYJXQYZJR-NWANDNLSSA-N 418.247 1.180 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1588276531 OYPKINAISPRITL-CQSZACIVSA-N 408.300 1.921 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589069144 IWHDSXCOLBSDGJ-LSDHHAIUSA-N 400.570 1.408 30 10 HDEE C=C(C)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OCC)CCOC1 1593684626 ZEQRLVNSASPZBT-NRFANRHFSA-N 421.542 1.485 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(C)(C#N)CC1 1595467264 QTHHFVPXNASZMH-UHFFFAOYSA-N 401.515 1.629 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)CC1 1595648545 FFHFYUDEWDFUNM-UHFFFAOYSA-N 412.494 1.356 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCNC2=O)cc1 1596924660 DZLREQYGCGBWPO-ZESIPNTPSA-N 406.508 1.744 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOc1ccc(F)cc1 1609506884 KTJHGUUCLUKZJG-KRWDZBQOSA-N 416.457 1.753 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)o1 1612042780 IJLDZNZAXYRNRN-QGZVFWFLSA-N 400.483 1.422 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C[C@H](O)CC4(C#N)CCC4)CC3)C2=O)n(C)n1 1617139716 JNLXUZJCRVESEK-RTBURBONSA-N 414.554 1.286 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCOC1 1617779600 BNPZGGFGJRAQRN-AEFFLSMTSA-N 424.505 1.869 30 10 HDEE C=CCOC[C@@H](NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)OC 1617952030 ZZHPMFNEPBVMNT-HUUCEWRRSA-N 414.499 1.999 30 10 HDEE COC1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1619481721 KKUFIRCEZZSUKU-ODZFXCKXSA-N 423.539 1.114 30 10 HDEE COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1619881768 FFXYAXGPHXPBLZ-IBGZPJMESA-N 404.494 1.160 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1620102625 PJYLIJCOJRWYFJ-USNOLKROSA-N 418.542 1.199 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1623172120 ZGGHSYYDZMRLFM-SFHVURJKSA-N 404.486 1.756 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1623649697 CFKVGTXVGMGZNT-KFWWJZLASA-N 401.529 1.998 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1624424206 STNPMLPVEMDWRP-OTWHNJEPSA-N 402.516 1.394 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1628627635 AGBGECRYNGKIHN-FVQBIDKESA-N 414.321 1.153 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1630149519 YSQFBLMSENCYPT-HUUCEWRRSA-N 418.560 1.268 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2cccnc2)cc1 1631137104 PLSFGZUPQQUGAS-UHFFFAOYSA-N 414.487 1.813 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1631232490 XSIHJUYAGIMOQR-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C2CCC1(CNC(=O)OC(C)(C)C)CC2 1633522656 NENIXRJSSNZIQR-UHFFFAOYSA-N 401.529 1.819 30 10 HDEE C=CC1(CC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1636133217 YIDMJVMRWXLHDV-KRWDZBQOSA-N 420.554 1.611 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)ccc2c1=O 1637479359 FTBGZIASGIKVLC-UONOGXRCSA-N 419.528 1.378 30 10 HDEE Cc1ccc(C(=O)NCCc2nc3c(s2)CCC3)cc1S(=O)(=O)NCC#N 1637670417 FMQWWHXMUNKCJN-UHFFFAOYSA-N 404.517 1.715 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1 1638075526 RELXNMNHIVKIJB-INIZCTEOSA-N 412.490 1.408 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)OC 1639559132 UPBFFENHIMHCEC-CJNGLKHVSA-N 405.838 1.425 30 10 HDEE CN1C[C@@H](CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H](c2ccccc2)C1 1639863224 RLSLDRDJZBYAJA-AEFFLSMTSA-N 412.515 1.187 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 1642625296 LFVFXRGZUNNBPB-PBHICJAKSA-N 421.862 1.446 30 10 HDEE CON(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)C(=O)OC(C)(C)C 1643867003 QHJJEJDQNGCFTF-CHWSQXEVSA-N 411.480 1.345 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CS(=O)(=O)C1 1644168595 VJQJARBCLVGKJG-HNNXBMFYSA-N 420.535 1.085 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CCC2)C1 1646076514 CNFZRNXZNMYHQW-RDJZCZTQSA-N 404.536 1.591 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)cc1 1648101714 ATFGFVVTLYXPRY-UHFFFAOYSA-N 413.496 1.679 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)c1 1648638731 ASPJYDWBZJRHQM-UHFFFAOYSA-N 421.563 1.604 30 10 HDEE C#CCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCOCC1 1652143830 DGDFRMAGCSDUNT-UHFFFAOYSA-N 412.533 1.000 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3noc(C)n3)CC2)cc1 1652356904 AMYRZZRYHWWJMP-UHFFFAOYSA-N 404.492 1.937 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)nn1 1654645741 HOIVSDXMWZXPFP-SJORKVTESA-N 404.515 1.994 30 10 HDEE CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@@H](O)c1cccc(C#N)c1 1659322546 TZDROBJMJIYMTG-QGZVFWFLSA-N 413.478 1.199 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1664119138 DPFDKZGNCUPAIE-NSHDSACASA-N 408.448 1.693 30 10 HDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)cc21 1664160485 LXQKOAUPKVGTGN-CQSZACIVSA-N 404.492 1.293 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1=O 1670409909 COMDPMDVZFOLGW-UHFFFAOYSA-N 409.446 1.637 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)[C@@H]1CCCO1 1686184649 NHLRAJYEABEYQS-RJTVGWIUSA-N 420.506 1.720 30 10 HDEE C#Cc1cccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 1686788463 ODFKKCLWKJIRGK-UHFFFAOYSA-N 400.504 1.593 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCC#C[C@H]3CCCCO3)nn2)C1 1687536175 UWKFXGGUURVMHF-QGZVFWFLSA-N 418.498 1.442 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1689933147 BOIYOBTZZYVAKA-UHFFFAOYSA-N 407.522 1.078 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689986742 WEQQQVBRVKHMIM-IBGZPJMESA-N 424.530 1.777 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1689988363 NOONJHWQHRDTBT-OKZBNKHCSA-N 422.551 1.224 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnn(C)n1 1690093788 JUFFQZSCPHOVKY-AWEZNQCLSA-N 414.445 1.215 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccs2)CC1 1690113307 GGHHERXHPNEHFC-FQEVSTJZSA-N 401.536 1.795 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1690245466 IRONZOTVOQLHDF-GJYPPUQNSA-N 419.526 1.234 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690673705 AYQPPQZKMBXCHB-IIBYNOLFSA-N 403.527 1.697 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2COCCO2)C1 1690714144 GFCTZPVHJMBAHU-FJIDUMEYSA-N 408.499 1.199 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1692571500 DKWGGGUYCJIWJR-INIZCTEOSA-N 424.571 1.630 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)o1 1693042153 CQDQSWQMDWECFQ-ZDUSSCGKSA-N 407.496 1.382 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O 1696470374 AAQVEKDQNQHXJH-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1698191545 QLINNRUMURKXRE-LJQANCHMSA-N 422.493 1.740 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1705493731 NCFXESPUJZJAGV-YJBOKZPZSA-N 417.535 1.934 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1705495134 KYDAVBZSMMQCNG-QAPCUYQASA-N 416.503 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(OC)CCOC1 1705577974 AYXULWZCOWYXTL-JOCHJYFZSA-N 408.458 1.595 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1705583434 YBEKKWNFYLRUDY-KRWDZBQOSA-N 422.514 1.143 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2nnc(C)s2)CC1 1705637257 OYDMGOKWLBTFET-UHFFFAOYSA-N 409.519 1.917 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(C)cc2)CC1 1705642380 RQMDUSKSMPVDSK-UHFFFAOYSA-N 406.534 1.707 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705681628 ZEGWZWQYTVZTKW-JLLWLGSASA-N 422.349 1.004 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705887348 ZVKFAUBYVIKVFQ-JTQLQIEISA-N 419.433 1.310 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1705894894 NPWXUMQBJBYLCN-IRXDYDNUSA-N 418.542 1.647 30 10 HDEE CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1708123006 DZOFQDHOZSPQHY-QFPXGYFVSA-N 400.483 1.545 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1NC(=O)CC1(C)C 1709142236 UYCIJMKSLPVZPZ-ZBFHGGJFSA-N 423.525 1.132 30 10 HDEE Cn1cc(N2CCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)cn1 1711256092 RUTUTIBTYOLLHH-AEFFLSMTSA-N 412.542 1.998 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1722318442 DDVJVPAVXXUKHB-KRWDZBQOSA-N 418.567 1.970 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722321959 LZPJDUPFOOXKEJ-QGZVFWFLSA-N 419.551 1.237 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(C)(=O)=O 1722376173 XRYWHGUUGSNVOX-UHFFFAOYSA-N 408.430 1.664 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722378638 WHGWSWLIRVBDJP-UHFFFAOYSA-N 422.489 1.707 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC=C 1722383115 GSEPEEDROWSBDH-QGZVFWFLSA-N 405.524 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCCS(C)(=O)=O 1722387513 XJHAJPSNKNUGTF-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CC)CC1 1722431977 UOJSLJYSOZKHLI-LEWJYISDSA-N 405.543 1.235 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCc2nnc(C)s2)CC1 1722438284 VBHYSLPYBPXARU-MRXNPFEDSA-N 401.540 1.330 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722458706 QVIWMHOVZXTQMA-FOIQADDNSA-N 419.551 1.370 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCC2 1722518588 YUUALXGLJQUMRH-YJBOKZPZSA-N 401.515 1.991 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722527259 DHSVBBVLZSZPFQ-HNNXBMFYSA-N 419.486 1.278 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722586768 QZDRCBFYFZDACM-GDBMZVCRSA-N 402.499 1.641 30 10 HDEE C=CCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722622122 FWJIQVVAFGLXST-RXVVDRJESA-N 405.543 1.806 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1728292880 BYHJCYCVRJNGNQ-UHFFFAOYSA-N 415.519 1.745 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740578746 FQVGVZZSTYBAOU-LSDHHAIUSA-N 418.523 1.597 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCC2)nc1 1740673950 OAUHIBANXQNTQH-UHFFFAOYSA-N 407.522 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1740693268 WCOJMNJTKYMYQO-FGZHOGPDSA-N 417.554 1.643 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC(C)(C)C 1740951621 JTCHEJRAVDCDFB-UHFFFAOYSA-N 415.498 1.479 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740951626 JUTBGKRTRHTZFR-UHFFFAOYSA-N 413.482 1.939 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 1740960735 ZAHDLTPILHUJNF-MRXNPFEDSA-N 403.508 1.119 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCc2oncc2C1 1740964979 YNAZQAMIPIWEKQ-UHFFFAOYSA-N 424.461 1.719 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1740982340 UZXIXYGHPODCMP-ZWKOTPCHSA-N 404.559 1.565 30 10 HDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCCN1CCN(CC)CC1 1747104953 HFGMOLXZNANHAK-UHFFFAOYSA-N 403.575 1.972 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1748205855 AHAPTHINPUUAKN-ZTFGCOKTSA-N 410.478 1.193 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1748672564 VDBIWRCMQPGAJH-IAGOWNOFSA-N 407.584 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1748672566 VDBIWRCMQPGAJH-IRXDYDNUSA-N 407.584 1.903 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1748747435 HVPJTNGFSPZHQZ-KRWDZBQOSA-N 402.543 1.437 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1748906402 RYWQHTPCVKLKCO-HNNXBMFYSA-N 415.523 1.238 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O)C1CC1 1749519333 JHDWIDNUPFIYKQ-AWEZNQCLSA-N 409.512 1.177 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749680625 NAVKRFXIEFAMRE-UHFFFAOYSA-N 422.530 1.422 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749756583 ZRPMEJYHMAQUSR-GOEBONIOSA-N 406.556 1.742 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760129284 IMOARGWRWUXASU-OALUTQOASA-N 416.570 1.767 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760157120 FBOGXVAZRMXBDB-KRWDZBQOSA-N 423.546 1.860 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1760181196 QXSNMHLGHZWPJJ-JXFKEZNVSA-N 422.551 1.357 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)COC 1760249273 YPMGEQDKAVBZMJ-OAHLLOKOSA-N 410.478 1.962 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1760249767 SKANWKXIWPLZIW-GOSISDBHSA-N 423.583 1.142 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOC(C)(C)C)CC1 1760268510 KXBDVFAOTAMQFJ-MRXNPFEDSA-N 416.526 1.010 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCCCO 1760306058 AJKDKCFQONQDRW-ZDUSSCGKSA-N 421.361 1.688 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCS(C)(=O)=O 1760319501 OALLQFTUNCKZKE-DOTOQJQBSA-N 405.524 1.802 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1760407131 VDFQTTRIAZMHLI-CYBMUJFWSA-N 412.560 1.192 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1762714719 HUUGZYPDMQXQEO-HUUCEWRRSA-N 402.524 1.848 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cccc(OCC(N)=O)c2)cn1 1767455302 IASGTKASYJUUIA-HXUWFJFHSA-N 424.440 1.033 30 10 HDEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)cc1 1768682761 AINVMSSBPFZBHZ-LJQANCHMSA-N 407.478 1.925 30 10 HDEE CN(CCn1cccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768935074 JFEZBEZOAWAEJE-HNENSFHCSA-N 410.482 1.090 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1770873667 NIVYAJMFOPOZDT-GOSISDBHSA-N 403.418 1.139 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1772789430 FUABFYMDKHPRPX-UHFFFAOYSA-N 416.411 1.076 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1848602027 LQJFPWRETNJLOA-YJBOKZPZSA-N 423.510 1.472 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)CC1 1848858708 AOIMOCWATKEIQS-UHFFFAOYSA-N 406.508 1.242 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ccc(Br)nc2N2CCOCC2)CC1=O 1850023221 FZBDGOVWVCAYMC-LBPRGKRZSA-N 409.284 1.654 30 10 HDEE CON=Cc1cc(Br)cc(OC)c1OCS(=O)(=O)N1CCOCC1 1851191520 SCEQUFDRYQSJQU-UHFFFAOYSA-N 423.285 1.436 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1C 1851196559 AQZDCKXSPNONIH-QGZVFWFLSA-N 404.474 1.667 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)NN1c1ccc(Cl)cn1 1852495792 VODSTDYEIZMYPN-UONOGXRCSA-N 418.929 1.706 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)c3nccc(-c4ccccc4)c3C#N)C2)c1=O 1852776037 RQEHQKAEHLGPCK-KRWDZBQOSA-N 415.453 1.958 30 10 HDEE CN1CCN(C(=O)c2ccccc2C(=O)N=c2[nH]n(-c3ccccc3)cc2C#N)CC1 1852934065 KNMNFUUPMXTXOW-UHFFFAOYSA-N 414.469 1.806 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCOC4)C3=O)CC2)CC1 1853675757 PPSJPMDQFBOVKT-RTBURBONSA-N 416.522 1.015 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C(=O)C12CCCC2 1853676481 MNWBCNGWNGEMSN-MRXNPFEDSA-N 409.490 1.912 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cnn(C(C)C)c2)C1=O 1854190822 SBQDUMPJKRPDRM-ROUUACIJSA-N 401.511 1.704 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3=O)CC2)n1 1854439868 QNEIASLLOIBHCS-RTBURBONSA-N 412.490 1.741 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)C(=O)C1 1854502391 CZBQXVVWWYQFRH-UHFFFAOYSA-N 400.504 1.988 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1854658044 CRZCVNMKVXHPBZ-PBHICJAKSA-N 416.547 1.794 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCN(Cc3ccccc3)C[C@@]23CCOC3)C1=O 1854804124 JIBXLIDJVGAEEJ-NZQKXSOJSA-N 410.518 1.785 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855073455 AQOAEUKFYLEEPJ-MSOLQXFVSA-N 411.568 1.608 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(F)cc3F)C(=O)O2)CC1 1856604542 WOBOJPILEWHEJD-HNNXBMFYSA-N 413.402 1.491 30 10 HDEE CON(C)[C@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)c1ccc(Cl)cc1 1856899063 IISLKNHSFYQYNA-KRWDZBQOSA-N 400.870 1.883 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4ccncn4)C3=O)CC2)n1 1856971320 VIWYGLIWHQJGJB-GOSISDBHSA-N 406.446 1.275 30 10 HDEE CC(=O)[C@H](C(=O)N(C)C)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C12CCCC2 1857261012 SLHJCPYLGBZVQZ-GOSISDBHSA-N 410.474 1.201 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCC(N(C3CC3)S(C)(=O)=O)CC2)CCC1=O 1857488455 PRGFRSZZEHSKOA-MRXNPFEDSA-N 411.568 1.606 30 10 HDEE Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334024 AFYHBDMVCXCYJW-GOSISDBHSA-N 419.528 1.749 30 10 HDEE CN(C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858987802 MWLWSZBIFIXOBX-UHFFFAOYSA-N 400.460 1.491 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2C(=O)O)c1 1862559331 MCDIYWBTFRXXQK-SFHVURJKSA-N 423.425 1.681 30 10 HDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 1869929162 ASXMIDBFOKHBHK-KBXCAEBGSA-N 406.552 1.692 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCN(C)C 1870671638 GKDSUPXLMMZRBJ-UHFFFAOYSA-N 421.538 1.542 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871579937 KOTGCOJPWFKZIO-UHFFFAOYSA-N 421.484 1.621 30 10 HDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873561098 FOMITWAYEYRAGL-UHFFFAOYSA-N 418.501 1.761 30 10 HDEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594604 XKQWNJYCOUJDPW-OAHLLOKOSA-N 412.494 1.228 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1CCO 2118164315 XXUPMJSVBXOBQF-LBPRGKRZSA-N 401.510 1.612 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(C#N)cc1Br 2124718946 FVGYSDVBSSTMGT-ZDUSSCGKSA-N 423.267 1.995 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221679844 LWWAJGDLVMOCMX-ZFWWWQNUSA-N 411.296 1.995 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2235560018 YXOINHALYHTEQT-LVQVYYBASA-N 401.529 1.272 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386829 IKPUOOCJXBWTNF-TXEJJXNPSA-N 406.292 1.494 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)n1 2243388163 HHEPHSDVWLVADI-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2243418738 KAWRXFFKARIPQE-NWDGAFQWSA-N 408.308 1.740 30 10 HDEE CN(CCN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247778864 JMMPIJSBMXIYOM-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827919 KTQGRICJITWHKF-GXTWGEPZSA-N 420.319 1.694 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247913327 UEJQNKFKQYDXHL-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)C(=O)OC(C)(C)C 2247922325 GHALNJJOPBXMKQ-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2250102760 FBOYCDIBWIMTJK-UHFFFAOYSA-N 419.331 1.799 30 10 HDEE N#Cc1ccccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258173624 OKINYFTUUFCZDV-MRXNPFEDSA-N 403.416 1.680 30 10 HDEE C#CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC(C)C1 2259893581 UMXOUGINORSLJH-NLGTXKQRSA-N 408.476 1.176 30 10 HDEE CC1(CO)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267702705 KPHSIVRKFWJBSP-UHFFFAOYSA-N 407.750 1.704 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)NC(=O)OCc1ccccc1 2270493854 FBISQRAINBEIDL-KRWDZBQOSA-N 417.443 1.768 30 10 HDEE Cc1nn(C)c(C(=O)N2CCC(C3OCCO3)CC2)c1B1OC(C)(C)C(C)(C)O1 2281981096 XNCPSXARZJUYIM-UHFFFAOYSA-N 405.304 1.253 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282017827 PFIFHCVJORESGY-WDEREUQCSA-N 400.331 1.138 30 10 HDEE Cc1cc(S(=O)(=O)NCCN(C)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282309260 CDCOQMUYTVPBIB-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H](CO)C3)s2)OC1(C)C 2282340122 BKWDJOBQAMSXIC-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE C[C@H]1CNC(C)(C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282354206 NPWDNXHEQJASDP-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](CO)C1 2282830915 BSRCTAJIKVMXTN-DGCLKSJQSA-N 401.359 1.605 30 10 HDEE CON1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282834865 NUXYASZUEICVQB-LBPRGKRZSA-N 402.347 1.270 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccc(Cl)s1 2282853890 KQPVXLJGGMIBFN-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC3CC3)C(=O)O)c2)OC1(C)C 2284405453 KVPFLQUKDYQJJZ-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CC1(C)[C@H](C(=O)O)[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284408045 RTWWQFJPEPEMSR-NWDGAFQWSA-N 401.315 1.435 30 10 HDEE CC(C)SC[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284469586 NKRKOSKQOQZLDM-NSHDSACASA-N 400.331 1.767 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2301725347 NGWHDGURWPZUGG-ZDUSSCGKSA-N 424.303 1.848 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2F)CC1=O 2329013010 BRUNXSWGLJGQHL-GFCCVEGCSA-N 422.461 1.740 30 10 HDEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)c(O)c1 2331570898 IBUHBVMKISXYFK-UHFFFAOYSA-N 420.476 1.905 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2365195852 GFEBIZDCWXREBQ-HOTGVXAUSA-N 402.557 1.673 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H](OC)CN(C(=O)OC(C)(C)C)C1 2365201625 AYMUAFNORVXZQF-HRCADAONSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CC2 2365211572 MPMKMZSLWSYJLG-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365211721 OZMQUJKHPRTIOY-OWCLPIDISA-N 402.557 1.802 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2365212295 QZESGEJSUIOIKU-YZVOILCLSA-N 402.557 1.552 30 10 HDEE Cc1cc(CNS(=O)(=O)CCOCCF)sc1B1OC(C)(C)C(C)(C)O1 2365574496 VXYKALKZYRVGJG-UHFFFAOYSA-N 407.338 1.761 30 10 HDEE Cn1nccc1C#C[C@@H](N)[C@@H](O)c1ncc(Br)cc1Br 2367754863 RNTOAKJURVJJMS-DGCLKSJQSA-N 400.074 1.753 30 10 HDEE Cn1nccc1C#C[C@H](N)[C@H](O)c1c(Br)cncc1Br 2367768886 YQQBUXRKYPXBMT-AAEUAGOBSA-N 400.074 1.753 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2367792754 RMTAVFSNGHEBGX-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367795652 MYKKDUIJCMWPHR-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367828840 USSUSCSJAZDWTR-LSDHHAIUSA-N 402.557 1.681 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2375197703 DZCLODVHEWJLME-GLJUWKHASA-N 402.513 1.514 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc2C1=O 16984303 SWKBADFGEGGXSC-UHFFFAOYSA-N 413.308 1.014 30 10 HDEE C=C(C)COc1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCCC)c1 66225001 COCCMNZFCWXDCO-GOSISDBHSA-N 403.479 1.724 30 10 HDEE C[C@@H](C(=O)NO)N(Cc1ccsc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 247499063 DYLJVENBAFFLNJ-NSHDSACASA-N 418.518 1.236 30 10 HDEE C[C@]12CC[C@@H]3[C@H](CC[C@]4(O)C[C@H](O)CC[C@@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 299813233 ODJLBQGVINUMMR-FIXDZVNNSA-N 404.503 1.898 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)NCC(F)(F)F 404961871 KCXGPPFWRZKVDV-UHFFFAOYSA-N 414.280 1.876 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3ccc(C(F)(F)F)c(C#N)n3)CC2)cn1C 409724159 WHVLGGNGNZMQQH-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE COc1ccc(C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)NCc1ccccn1 437825998 BIPYAHBJXFPRME-UHFFFAOYSA-N 414.487 1.992 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(CO)Cc4ccccc4C3)C2=O)cc1 437937502 XBDLNJWAHDVRCP-IBGZPJMESA-N 418.453 1.409 30 10 HDEE CCCCN(C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 461794660 JCLJKUNVVDCCGL-KRWDZBQOSA-N 421.567 1.695 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 469901696 ZXKQCOPIFXHOTJ-AWEZNQCLSA-N 404.414 1.915 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 475047527 LZOYQFXXTUQIGC-GOSISDBHSA-N 402.520 1.871 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)c(F)c1 478158493 ORJXCTAAFUHNTF-QGZVFWFLSA-N 423.491 1.611 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc3ccc(Br)cc3n2C)CC1 485805361 LGSSOINIKQEGHQ-UHFFFAOYSA-N 406.328 1.756 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc([N+](=O)[O-])s3)C2=O)cc1 486627425 NPBOUCSWOIJQGO-ZDUSSCGKSA-N 406.445 1.607 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508842712 ZBHQPODXUCHJOT-JOCHJYFZSA-N 419.489 1.577 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CCCC3)cc2)c1 514318657 APXWJRILRHPTEP-UHFFFAOYSA-N 412.515 1.749 30 10 HDEE Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n[nH]1 541310363 CBTJKLKHALACRA-UHFFFAOYSA-N 414.413 1.510 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)CCCC1 546782444 RUUZJYSSTZXCCU-UHFFFAOYSA-N 408.499 1.796 30 10 HDEE CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 547394975 GXFDJFAOCHMHPN-ZDUSSCGKSA-N 419.511 1.812 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558565221 ZQRXJKWFPOMKDU-LSDHHAIUSA-N 401.467 1.105 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2)CC1 558914702 PVDIDMJZDFQNGU-UHFFFAOYSA-N 420.521 1.151 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 562026668 AKLXTCMKQIDZLO-GOSISDBHSA-N 417.535 1.401 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCCO2)cn1 571899343 RUVDYRGXLLXCKA-SFHVURJKSA-N 419.493 1.451 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 573845686 NNOYYOYBVKVFHM-HZPDHXFCSA-N 417.539 1.261 30 10 HDEE N#Cc1ccc(Cl)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 586810227 LJPNXFKBEKYGRN-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE CN(CCN1CCN(c2ccccc2)CC1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586860001 OPFJVUUVCZRDKV-UHFFFAOYSA-N 423.492 1.594 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 611430901 FSJADOKFMNKGOU-MOPGFXCFSA-N 420.485 1.044 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c(F)c1 612846251 KDGLEEXHQFMKAH-UHFFFAOYSA-N 422.416 1.991 30 10 HDEE COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 619474619 JRZQLOHSHSWBOX-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1 679530112 BUMFUGJDXRSZEE-UHFFFAOYSA-N 402.495 1.677 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cc(C#CCCO)ccn1 707349240 VDXFQLIPVQZBKE-UHFFFAOYSA-N 413.455 1.244 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)cn1 727814786 ZISPHAZMASHURZ-UHFFFAOYSA-N 419.510 1.153 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729335301 LQGYUUJFGCQFPA-INIZCTEOSA-N 409.529 1.665 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H](CN2CCCCCC2)C1 732464971 AVZYDYXRTBJDBL-SKQREZPOSA-N 403.527 1.810 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 742663081 HEVCAYHHWVNERL-BMRADRMJSA-N 403.826 1.126 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 742665310 MPBIZTITXLQQPU-CVEARBPZSA-N 405.524 1.178 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1N1CCNC1=O 744007904 XLIOXEHLUGTSJZ-UHFFFAOYSA-N 414.443 1.356 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCC1 746246298 BCYNFUOTUVSWKV-MRXNPFEDSA-N 421.523 1.081 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757925355 GLPIARIVKMAWQQ-AAEUAGOBSA-N 406.443 1.477 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCNC(=O)c2ccccc2)C1 758324949 LXSAGMZZJOXWSJ-CVEARBPZSA-N 401.467 1.475 30 10 HDEE C#CCN(C(=O)c1cc(I)ccc1F)[C@H]1CCS(=O)(=O)C1 762053149 NPXHJZOFGDJNLK-NSHDSACASA-N 421.231 1.693 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@H](C(N)=O)C2)c1=S 764942918 CWUORSCAPOKBFN-INIZCTEOSA-N 403.508 1.631 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768485184 ASJIKRKHKLRKRF-HNNXBMFYSA-N 416.463 1.868 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC)[C@H]1CCS(=O)(=O)C1 774041099 YIHBWESHQVRBPL-INIZCTEOSA-N 419.503 1.585 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774176666 DROBSYACDGQNLE-VQTJNVASSA-N 419.547 1.200 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C(=O)O)CC1 777380556 IYPAUDZNCXYWAM-HNNXBMFYSA-N 421.519 1.853 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)n1 788813585 NSPDURFVYNGMKJ-UHFFFAOYSA-N 404.492 1.055 30 10 HDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1OC 795829039 ISUOOXCSJHYBNB-ZDUSSCGKSA-N 412.899 1.069 30 10 HDEE C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCC1 796424080 KCQQVNZQXRIQEO-QRTARXTBSA-N 415.494 1.602 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800775525 RMAUDVVOPGEWSA-OAHLLOKOSA-N 402.462 1.956 30 10 HDEE COCN1C(=O)CCc2cc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)ccc21 801781695 BLMQRHCIFLUDKZ-VHEBQXMUSA-N 413.434 1.218 30 10 HDEE CC(C)(C)C1=CCN(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 803119997 GYFFAGIZMTVFTN-UHFFFAOYSA-N 404.536 1.520 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1C#N 813684560 RYNQUCHCTIWIQT-UHFFFAOYSA-N 400.460 1.905 30 10 HDEE N#Cc1cscc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 814614305 XHMUPXXMUHQVJX-UHFFFAOYSA-N 419.484 1.310 30 10 HDEE N#CC1(CC(=O)OCCNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 815998897 HWELVUIXXAXAAC-UHFFFAOYSA-N 405.476 1.438 30 10 HDEE C/N=C(/NCCN1CCOCC1)NC[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 849097964 RCQSUGGHDFXMIR-INIZCTEOSA-N 402.461 1.354 30 10 HDEE COc1cc(C=NNc2ccc(S(=O)(=O)NC3CC3)cn2)cc2c1OCCO2 914697223 ACRYYAMZXLDEPO-UHFFFAOYSA-N 404.448 1.748 30 10 HDEE C=CCNC(=O)[C@@H](C#N)C(=O)CCN1C(=O)COc2cc(Br)ccc21 916922422 YBZKLZXXQZHFPM-LBPRGKRZSA-N 406.236 1.576 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cccc(OC)c3)n2)o1 1084307935 SGDOHPRQRGFLNX-UHFFFAOYSA-N 416.467 1.613 30 10 HDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)O1 1131405306 BKIRENKHTWWIIB-SWLSCSKDSA-N 405.476 1.964 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nn1 1134525803 LKLURTSCBDKSII-UHFFFAOYSA-N 405.455 1.281 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(F)cccc1F 1136510393 XNHIZXDNIZZHDR-UHFFFAOYSA-N 407.398 1.245 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1141949760 SAFOFAWFTQHKMK-QUCCMNQESA-N 423.444 1.066 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2c(Cl)cccc2[N+](=O)[O-])CC1 1144025372 ACYOOXFXKZEAJB-UHFFFAOYSA-N 406.870 1.465 30 10 HDEE O=C(C1CS(=O)(=O)C1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157806897 GAISSVXZRJLDKT-RNFRBKRXSA-N 401.275 1.660 30 10 HDEE CCc1noc([C@H]2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 1158157870 NXPVPIJWTVPCNL-HOTGVXAUSA-N 402.476 1.871 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1ccc(Br)cc1C#N 1167213966 IHRIILHJENOIFV-GOSISDBHSA-N 408.296 1.666 30 10 HDEE Cc1nc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)no1 1176098277 XZUIPNCBIVOABE-HZPDHXFCSA-N 400.508 1.638 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1C[C@H]1CCCO1 1179428601 VREABVPOYMSIDH-USXIJHARSA-N 407.492 1.022 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 1211916307 VHZPDPIDJCOIGV-CVEARBPZSA-N 406.501 1.989 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1248682616 YZQBVDKLULOTSW-SFHVURJKSA-N 420.554 1.896 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 1248730826 OMMKKHFANXIDPZ-UHFFFAOYSA-N 424.498 1.674 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253780149 WIUVQJGUFHBNMP-IAGOWNOFSA-N 421.538 1.779 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)C1 1254564377 GNEKQPFANJEHRC-VIFPVBQESA-N 402.270 1.997 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(C2CC2)C1 1286400653 JABBHRMSMSFFKC-XXBNENTESA-N 411.550 1.876 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCc1nc(C)no1 1286407322 HGMAGEPSFFEAAN-UHFFFAOYSA-N 407.434 1.403 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1286440254 RNMDXGYUKJYFDT-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1286447914 PEGYBFSQHDIDFW-GOSISDBHSA-N 402.520 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)cn1 1286461777 XIEWWVKDOGTCKM-UHFFFAOYSA-N 409.425 1.594 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1286469418 VNVCFIVUYIUHPK-UHFFFAOYSA-N 423.564 1.052 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1286683184 LHRFHGOUISBPNQ-IAGOWNOFSA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1286790779 WUOBGMFXNDVWCI-UHFFFAOYSA-N 415.542 1.261 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)cs1 1290435314 NBWDMLXTUCEAIG-IAGOWNOFSA-N 401.540 1.703 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291303276 PRIGFIXEMDNKOS-UFOSLELVSA-N 409.450 1.092 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1291802883 HFVJKBJMXHIPNF-INIZCTEOSA-N 423.521 1.790 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cs1 1292747223 YRKVEJAGWVQMGM-SJCJKPOMSA-N 424.527 1.689 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC(C)C)C(C)C)s1 1298261850 WNXYWERDQWMDPK-INIZCTEOSA-N 402.538 1.847 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1298732578 APZFMMJGENUVAW-NRFANRHFSA-N 423.565 1.925 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1300459193 ZDOFTEFSSTVPJS-CVEARBPZSA-N 414.535 1.434 30 10 HDEE C=CCC1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1300473317 ZDQOFAOELSPORK-UHFFFAOYSA-N 410.492 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCC(=O)N(C)C 1300520217 IHOWBEPFNXTQFD-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@H]1C 1301498169 JYISAHUJGINDCM-CZUORRHYSA-N 412.469 1.794 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301577837 OOJWSNNLAFLHLZ-DLBZAZTESA-N 416.551 1.614 30 10 HDEE COCCN(C)CCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1301723799 ZOWHXQWTUSBJDG-KRWDZBQOSA-N 404.540 1.627 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)C1CCOCC1 1303898530 DOWMNCVKYPYEDW-ZBFHGGJFSA-N 406.508 1.338 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1305000399 JBBSWTXKHFZORE-QGZVFWFLSA-N 408.495 1.915 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1305205474 JCXSNBRMKRKKJR-MAUKXSAKSA-N 424.505 1.869 30 10 HDEE C#CC[C@H](CO)Nc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1 1307130396 YVXVXNXADNBGCI-CYBMUJFWSA-N 400.416 1.978 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1307833230 COASXWXUTFZDTA-SJORKVTESA-N 418.567 1.193 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)CC1 1309989411 FQCJKUWVOUDATK-UHFFFAOYSA-N 404.414 1.631 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1Cl)[C@@H]1CCS(=O)(=O)C1 1312759049 SCOKPELUKFAVIN-CQSZACIVSA-N 414.911 1.732 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1312833254 HPWJPONCKRFORZ-UHFFFAOYSA-N 422.432 1.790 30 10 HDEE CCOC(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1314054656 GMGKTEMMPRNXFL-UZLBHIALSA-N 407.515 1.863 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1314496949 OSEHVDIBCCYXNK-GOSISDBHSA-N 411.554 1.925 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC1 1316536096 LJNFZYQXEPRHFP-SJORKVTESA-N 407.540 1.737 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOc2ncccc2F)CCO1 1316538153 HSRBUPMBYNFNCE-CABCVRRESA-N 402.430 1.514 30 10 HDEE CCOC(=O)c1c(NC(=O)C[C@H]2CCOC[C@H]2OCC)c(C#N)cn1CCOC 1355035627 FRVVZAOOOHBZPT-GDBMZVCRSA-N 407.467 1.953 30 10 HDEE CCn1ncnc1-c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1356276118 HHDKPHXECJDHDZ-OAHLLOKOSA-N 402.462 1.978 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nccs2)CC1 1359028610 YAIUNSHEOTTXFN-UHFFFAOYSA-N 415.567 1.651 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C)n(C)c2=O)CC1 1359046213 IUSUCCRMVSFTMY-UHFFFAOYSA-N 422.533 1.252 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1359291443 QHAHUWVLLUIDNH-MRXNPFEDSA-N 414.485 1.852 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359299999 RBGRGGRPUWQBJP-ZWKOTPCHSA-N 413.526 1.821 30 10 HDEE CC(=O)N1CCN(CCn2c(C)nnc2N(Cc2ccc(C#N)cc2)C2CC2)CC1 1359400311 HUMSVQIMSWDUDN-UHFFFAOYSA-N 407.522 1.791 30 10 HDEE CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359666865 DMQXMYCFKFEXSP-MBOZVWFJSA-N 406.506 1.928 30 10 HDEE COc1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1OCC(=O)NC(C)C 1440047924 WRWWMDBHSHSOAK-UHFFFAOYSA-N 413.434 1.449 30 10 HDEE C[C@@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440354689 VCVNPHQHLMQTFK-LBPRGKRZSA-N 400.298 1.832 30 10 HDEE C[S@](=O)CCN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1444490612 QHGBWTDBWGWOER-QZXCRCNTSA-N 400.545 1.096 30 10 HDEE Cc1cc2c(cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)sc(=O)n2C 1453135613 UBRPIGKMIIMEDG-UHFFFAOYSA-N 416.484 1.697 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1461785849 ZLJXFTNFTFMWLD-UHFFFAOYSA-N 403.504 1.346 30 10 HDEE C=CCN(C(=O)Cn1cc(C=O)c(-c2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 1464404541 XEILTGLDFQZJOB-KRWDZBQOSA-N 417.487 1.573 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1464431396 QPLXSUPRTYKRNT-CABCVRRESA-N 416.544 1.504 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](O)Cc3ccc(F)cc3)C2=O)cc1 1471900761 SGUXSLQGAROLMB-RTBURBONSA-N 424.432 1.622 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)cc1 1471910662 DYVJMAGMKZDMMI-GOSISDBHSA-N 412.471 1.816 30 10 HDEE Cc1sc(NC(=O)CN2CCC(NC(=O)N3CCOCC3)CC2)c(C#N)c1C 1473574800 AAIGDDKIEMDFGS-UHFFFAOYSA-N 405.524 1.681 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1473586821 AXSLPAOFCSGZGM-INIZCTEOSA-N 409.490 1.278 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1475510302 PJUBXMTVJIBTQZ-UHFFFAOYSA-N 418.437 1.447 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OC 1475687070 BPMNOEMPVPJFOC-LJQANCHMSA-N 408.520 1.810 30 10 HDEE C#C[C@H]1CCCCN1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1475854214 XRSIDMOZZIVTMJ-INIZCTEOSA-N 407.492 1.736 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1479333951 ADWVJQGNRVPSTH-WDEREUQCSA-N 409.468 1.488 30 10 HDEE C[C@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1493829254 IRXYOPOCELRWBJ-CVTQAYBASA-N 407.478 1.779 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1501401684 ZKWQXEQFFPOFJH-LPHOPBHVSA-N 407.522 1.968 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CCO1 1505322052 HQHCAHDVOQKFLQ-CQSZACIVSA-N 409.849 1.865 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507563838 JHPNMEMZVWDGQS-KZNAEPCWSA-N 422.551 1.368 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1507564479 QCWLJNTZVFPOLO-KRWDZBQOSA-N 406.552 1.991 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@@](=O)CC)CC1 1507717907 IYXRSSBXYSAOAR-NDEPHWFRSA-N 401.536 1.478 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)CN2CCOCC2)CC1 1507723672 QCERRKUGGQZJPP-LJQANCHMSA-N 423.565 1.372 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccncc2Cl)CC1 1507728281 WSHLZOMMDLSLKO-UHFFFAOYSA-N 424.940 1.992 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507732168 TWUXMIHMGFUBGB-OALUTQOASA-N 416.570 1.480 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1507754594 XXZNYSMWXXVAIQ-UHFFFAOYSA-N 423.589 1.205 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1507837890 WVKPMLADZILYKP-HNNXBMFYSA-N 413.544 1.240 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507906788 LULZLJHNPWOZKG-UHFFFAOYSA-N 420.539 1.021 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508073096 VIRQCRPKCYMNIY-BZSNNMDCSA-N 418.542 1.770 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](COC)C1 1508075591 YRKDVCCQGFSOKK-INIZCTEOSA-N 416.438 1.007 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ncc(Cl)n2C)n1Cc1ccc(C#N)o1 1509603265 UDRRDBZCKUHBBT-UHFFFAOYSA-N 416.873 1.953 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)n(C)n1 1511649753 BPOKAJBBZUHJDJ-KRWDZBQOSA-N 404.478 1.609 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)n1 1511691668 FSBOPQFHVVOKFY-UHFFFAOYSA-N 408.466 1.354 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1516606506 AFPYZRUQQJJOHZ-MSOLQXFVSA-N 402.474 1.985 30 10 HDEE CN(C)C(=O)Cn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1516972435 HJMPLGKCADPASX-UHFFFAOYSA-N 407.522 1.828 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1518968300 UJMYSZPIVKPXAV-DJJJIMSYSA-N 404.471 1.389 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)C(C)(C)C 1519160545 BSMZDJBZGZHIJN-MRXNPFEDSA-N 406.531 1.942 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1519357491 RLLFPUYHFIRGDF-IBGZPJMESA-N 422.493 1.625 30 10 HDEE CCOC(=O)N1CSC[C@H]1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1533469526 BZLWLYKLCUZRIG-ZDUSSCGKSA-N 408.505 1.994 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1536018120 IZWGVIOKLNDQOF-UHFFFAOYSA-N 413.499 1.894 30 10 HDEE N#Cc1ccc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c(I)c1 1538009384 FWKSBWTVBMMGNU-SNVBAGLBSA-N 404.229 1.926 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1539177745 BEFQHHUNUBAUDU-YOEHRIQHSA-N 402.476 1.295 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1539196803 YLKDCMGKKUDVIA-MGPUTAFESA-N 405.499 1.571 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1539220863 VSBPEUYHDUILFC-KRWDZBQOSA-N 402.520 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC)cc1 1539318060 LOJSAWJSECBFDR-LJQANCHMSA-N 418.501 1.490 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1539324870 YSJMYHIPHQKGKY-IDYLYPCZSA-N 422.489 1.509 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](F)COC 1539390242 NTBKQPLSEHGILM-IAGOWNOFSA-N 403.433 1.993 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1F 1539392741 WGPBAZHTAYBIGW-UHFFFAOYSA-N 416.457 1.213 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@H]1COCCO1 1539422888 MVCXQKPGNZUJBT-INIZCTEOSA-N 404.442 1.498 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccsc2)CC1 1539477151 IWPOSKGFPFUUFI-UHFFFAOYSA-N 423.546 1.949 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1539751903 XBMVECGBXUQNCI-HNNXBMFYSA-N 401.533 1.050 30 10 HDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539998383 HFUVDLHCDHTGLJ-HOTGVXAUSA-N 402.499 1.959 30 10 HDEE COc1ccc([C@@H](CNC(=O)[C@]2(C#N)CCCOC2)N2CCOCC2)cc1OC 1540676966 RGXUVPIYWZTKMG-UTKZUKDTSA-N 403.479 1.514 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540876170 JFFMZLZCNYKLCB-IIBYNOLFSA-N 421.542 1.625 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 1543462412 LUGLQSKZSSJYAG-MRXNPFEDSA-N 407.536 1.695 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)cn1 1555568895 HCZUSOLZWGRVHU-MRXNPFEDSA-N 407.478 1.933 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCOCC(F)F)cc1 1555988964 UXXWYPAPTWHWJJ-HXUWFJFHSA-N 416.432 1.957 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cnccn2)nnc1N1CCCCCC1 1556022378 DXHCAFGLWXIBOW-HTXNQAPBSA-N 408.466 1.642 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1557385305 AZWJFADTZXMZJB-GOSISDBHSA-N 402.495 1.603 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCc1ccc2c(c1)OCO2 1558388696 QDNKPTZZICCHGD-AWEZNQCLSA-N 415.471 1.655 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806468 QLNSXIJRJCDOBE-HUUCEWRRSA-N 417.466 1.287 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1C#N 1558906550 GNWXPGDTBNFJIY-UHFFFAOYSA-N 404.496 1.244 30 10 HDEE Cn1c(Sc2cc(C#N)c(Br)cn2)nnc1[C@@H]1CCS(=O)(=O)C1 1559059073 UJECGWDVGINYIT-MRVPVSSYSA-N 414.310 1.898 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccc(F)cc2O1 1583364257 QTESAGYEKDNKRC-HEWTWTGNSA-N 403.366 1.009 30 10 HDEE CC(C)(CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1cccn1 1586066404 OTNDAGXLFWWYPA-UHFFFAOYSA-N 415.519 1.707 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1587915516 MQHJZCPUJFFNIP-HNNXBMFYSA-N 415.469 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCOC[C@@H]1C 1588166586 KXMFPHFLEYWJGK-IBGZPJMESA-N 423.517 1.659 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(C)s1 1588185518 HRDKXJLFDDUNGU-IBGZPJMESA-N 400.508 1.601 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1588266397 PFMCOAGNIRLEBI-WUJZJPHMSA-N 411.572 1.943 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCCC1 1588581180 JMFKFQLHTLBWNC-NRFANRHFSA-N 406.527 1.710 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1588646646 LLBLCPUIBFYAKE-JKSUJKDBSA-N 412.581 1.409 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC(C)CC2)CC1 1588806635 XTDCMTRIXATCJQ-UHFFFAOYSA-N 408.554 1.612 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N(C)C)C1 1595723069 QPGHJZQAZMWWDI-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE COc1ccc(Br)cc1[C@H]1NC(=O)N(Cc2ncc(C#N)cn2)C1=O 1613573644 GPVHJORPFMHPLZ-CQSZACIVSA-N 402.208 1.912 30 10 HDEE CCCCn1c(N)c(N(CC)C(=O)CSc2ccncc2C#N)c(O)nc1=O 1614653862 CIDLCWNVULMVFF-UHFFFAOYSA-N 402.480 1.743 30 10 HDEE CCCc1nc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nn1-c1ccccc1F 1616347880 SPWXXSLTRKQPRM-HTXNQAPBSA-N 412.425 1.615 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1622278115 NLOAAJSHXAEXOT-INIZCTEOSA-N 412.533 1.132 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)c1 1623355120 MQQIZEGPKBBQGT-UHFFFAOYSA-N 420.512 1.650 30 10 HDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(O)nc1=O 1627108894 RKPRCXGCOBMJAW-KNVOCYPGSA-N 421.244 1.729 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1632533329 UUULWEFCXFJJQZ-CMPLNLGQSA-N 412.288 1.600 30 10 HDEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)CCCCOc1cccc(C#N)c1 1633997488 OICREJKYOJBYNC-GOSISDBHSA-N 417.462 1.014 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OC 1634885015 PKHKDDSRLBJHOR-INIZCTEOSA-N 410.492 1.804 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 1635204183 GQALWUKHRQSAKS-ZBFHGGJFSA-N 421.519 1.726 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1635346246 PYQXVHQFSODWFN-DLBZAZTESA-N 403.504 1.031 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1638463562 QXZPSWZUJBXAKS-UHFFFAOYSA-N 407.492 1.288 30 10 HDEE CC[C@](O)(CCC(F)(F)F)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1639659052 LCWCEQAEDAVDLW-LRDDRELGSA-N 421.441 1.825 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(CC#N)CC1 1639856536 PHRXCZYOFUSVOY-INIZCTEOSA-N 407.492 1.526 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1639885291 YETONBUGAYNHAT-HOCLYGCPSA-N 414.243 1.618 30 10 HDEE N#Cc1ccc(NCC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)nc1 1640160474 XOSUZPBNGTYJFS-GFCCVEGCSA-N 401.224 1.202 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1641194695 IWJOLJKVJKWHIL-UTKZUKDTSA-N 417.575 1.829 30 10 HDEE C=CCOCCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1641551204 FOBXEELUHOWGQO-HOCLYGCPSA-N 402.900 1.173 30 10 HDEE Cn1c(NCc2c(F)c(F)c(Br)c(F)c2F)c(C#N)c(=O)n(C)c1=O 1642836837 NXBUHXSXAUPMSJ-UHFFFAOYSA-N 421.148 1.887 30 10 HDEE Cn1c(N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c(=O)n(C)c1=O 1643183304 VPDTVJZRDRSPJH-NRFANRHFSA-N 417.510 1.573 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1643619282 XQWKNTVYUKNRSB-QGZVFWFLSA-N 420.554 1.626 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 1643691423 DWTTWULBRUXVEH-MJBXVCDLSA-N 405.520 1.929 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1643821946 IKQSWMPGAJPEAF-UHFFFAOYSA-N 405.930 1.756 30 10 HDEE N#CCCN1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1644200297 DGEZJRRUQBSXGM-SFHVURJKSA-N 410.440 1.698 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N[C@@H]3CCN(c4cnnc(O)c4Cl)C3)n2)c1 1647764877 CQFLGZALYLVFNF-CYBMUJFWSA-N 409.837 1.902 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C2(CC2)C1 1648022617 FQWNSZDQZWSMLY-UPTRSRDDSA-N 404.467 1.419 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)cc1 1648169706 NYHFZZYIGWRGKX-UHFFFAOYSA-N 406.426 1.928 30 10 HDEE C#CCN(CC(=O)NCC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C 1648658768 JDWYGFCHJYZYCH-UHFFFAOYSA-N 405.407 1.773 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCN(C)C)c2cccnc2)c1 1652290345 YCVAHFMQYAEJLW-LJQANCHMSA-N 402.520 1.969 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1 1655047687 CKPPYZPXAYTVHB-BGYRXZFFSA-N 402.454 1.291 30 10 HDEE O=C(CN1CCC(N2CC[C@H](O)C2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1655128013 ZGAKNRUUWKHGJF-IBGZPJMESA-N 409.452 1.704 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1655205429 HTLJQZBUTVWZDG-AEFFLSMTSA-N 416.526 1.068 30 10 HDEE CCn1c(=O)c(=O)n(Cc2ccc(C#N)s2)c2cc(S(=O)(=O)N(C)C)ccc21 1656112159 QEWPHWZKKBRJCB-UHFFFAOYSA-N 418.500 1.415 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 1666608239 XRXSAHJDVPQBEI-UHFFFAOYSA-N 414.550 1.767 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 1667220417 XDBLWCOTAHZHIB-INIZCTEOSA-N 407.312 1.576 30 10 HDEE CCN1C[C@H](CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1674195838 BFBQBXNGDCFDBO-KRWDZBQOSA-N 421.505 1.648 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 1682897019 MVKCESRNKIRGTG-MRXNPFEDSA-N 407.492 1.132 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1683129986 GTWLNJNZKIUBEJ-CYBMUJFWSA-N 419.956 1.846 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1684424806 GJXWBFHGRBHRGC-KRWDZBQOSA-N 403.479 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1689826554 QGLPRXCNOOPMRF-NJSLBKSFSA-N 423.514 1.393 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689969239 PUNUDTOQEZHSBA-QGZVFWFLSA-N 421.505 1.081 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCCO)CC1 1690128384 CJCXBJSGWGSKJT-UHFFFAOYSA-N 407.522 1.434 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690488107 KMMDUWSAQYFGBO-FQEVSTJZSA-N 423.565 1.973 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1690535003 SKJBEMOZCNOSHZ-GDBMZVCRSA-N 401.515 1.972 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nnn(C)n2)C1 1690712436 VSCHCTJXRRPJMT-KRWDZBQOSA-N 424.509 1.827 30 10 HDEE CCOC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1696377836 RJEHAMTWEXUORS-CABCVRRESA-N 419.507 1.556 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1697048420 FBDLMPQURQGHKB-QGZVFWFLSA-N 408.462 1.485 30 10 HDEE COC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1697765546 UYLDZRJSCYEPMM-SFHVURJKSA-N 413.526 1.731 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1705523432 XADBXHVXBFKTLQ-OTWHNJEPSA-N 419.526 1.147 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1705627715 OBNCDPHAAVMSFB-HXUWFJFHSA-N 422.533 1.374 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705700004 NUOOOMHBVFHIDM-AVEIZBFRSA-N 424.567 1.775 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2nccs2)CC1 1705901411 KUBYNVIPXIATKI-CQSZACIVSA-N 415.523 1.372 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1scnc1C 1705934599 QRDPVMTWMOELNH-ZDUSSCGKSA-N 424.552 1.231 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1706593975 ZUZRBFRDIHAGKX-HOTGVXAUSA-N 411.466 1.177 30 10 HDEE COCCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1712383881 FSAYWFYKJKWHCS-FQEVSTJZSA-N 418.521 1.550 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCOCC1 1712454569 PKRPYLBPXIHEOS-QZTJIDSGSA-N 406.531 1.259 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@H]1C 1712521858 NIUOOXZURRYEBN-IAGOWNOFSA-N 406.531 1.463 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1712647864 MABRZIDNRRHEEV-QOSLBHJFSA-N 405.499 1.282 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365149 KWFOAZKZZOYFBW-NVXWUHKLSA-N 421.592 1.507 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368301 POZMEXSTCZMORP-SFHVURJKSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1722368537 RUTAZNDOYCQPFW-KRWDZBQOSA-N 400.504 1.926 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCOCC1CCOCC1 1722395739 OYEYEJKPQLWEQT-UHFFFAOYSA-N 410.522 1.975 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC=C)cc2)CC1 1722436687 KUZXTFKXXYTQBI-FQEVSTJZSA-N 420.517 1.598 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccnn2)CC1 1722483815 RIVISIGSYUCNSS-CQSZACIVSA-N 420.315 1.807 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCO[C@@H]2CCOC2)CC1 1722560272 UNHOMJWNYJATNC-JKSUJKDBSA-N 413.544 1.240 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C)C1CC1 1722645342 JMDTVSBEPXJKSQ-UHFFFAOYSA-N 413.507 1.680 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1722693443 NYIXLZYJDKUBLC-HUUCEWRRSA-N 417.535 1.743 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722697464 KYQRAIZMQSURMJ-QZTJIDSGSA-N 412.494 1.335 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(C)c1 1722698146 USJPJJHNUDPKQP-UHFFFAOYSA-N 407.478 1.991 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1722700623 OBQISQZTWRNXDB-WBVHZDCISA-N 416.551 1.941 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CC)CCOCC2)CCOC1 1728815085 BXSAQPRFHJZQMU-LAUBAEHRSA-N 419.526 1.866 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C)(C#N)CC2)C1=O 1729593460 VJWWUWRZEPEHHE-NRFANRHFSA-N 422.493 1.534 30 10 HDEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1729805610 CLCGEUVDGHKGID-MRXNPFEDSA-N 403.508 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1740530885 ABYVXOAKDZGQMI-JMGYQRAPSA-N 401.536 1.801 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740552184 NNIFGZAGSZSGKO-ICSRJNTNSA-N 423.565 1.825 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)CC1 1740825378 NLXDJNZRAYUKNO-KXBFYZLASA-N 406.508 1.837 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740962310 ACDIOZPMPYYWAP-GVDBMIGSSA-N 416.551 1.655 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1741124235 DOXIDIXXIPGGAH-LLVKDONJSA-N 408.304 1.730 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1747219399 GPSSCRRDPPLULL-INIZCTEOSA-N 416.457 1.421 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)NC)C1 1748697314 FORSJAYGDZFKFV-INIZCTEOSA-N 402.543 1.962 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1748815277 OBXNFSURTQJENK-LVQVYYBASA-N 405.524 1.217 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)C 1748922781 LVBBNYBPJJKTSH-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1748991200 SKAGDEBBKGZAIV-APWZRJJASA-N 410.497 1.927 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCCCO1 1749053989 NPDBQWKYBJOBLE-FRQCXROJSA-N 409.556 1.840 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1749067030 OVOYQEIGQIFIGU-JOCHJYFZSA-N 422.537 1.580 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749268688 FMTBFDSCXUVSOB-CVEARBPZSA-N 409.918 1.752 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CCn1cccn1 1749729690 OLKQEMNSXSBSJB-UHFFFAOYSA-N 401.496 1.274 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1760096474 MGTIUTQTZGVREG-OAHLLOKOSA-N 409.494 1.642 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1760127235 ULBVQCUHYMDYFN-KFWWJZLASA-N 414.514 1.684 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1760179022 JSCHXRICOGREHG-KFWWJZLASA-N 402.499 1.397 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1760189656 KNATYNFGUKHYDB-SFHVURJKSA-N 401.536 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)CC 1760212911 IREOPWFLOAZOKY-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1760357358 ILHSBNAURHXRNX-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1760428544 YJMSXPWVILJHLY-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760435665 QSSGQKPBVLVOOK-UHFFFAOYSA-N 411.510 1.177 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760528981 SKMRUUAYARBTSP-NRFANRHFSA-N 416.526 1.751 30 10 HDEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCS(=O)(=O)N(C)C)o1 1761742821 CFARUWYLAUUTGT-UHFFFAOYSA-N 406.512 1.868 30 10 HDEE Cc1nnc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1ccc(C#N)o1 1762591187 RVEKBWIRKXILDB-SFHVURJKSA-N 418.523 1.930 30 10 HDEE CCCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1764205736 YGPHBPDOCUPRGU-MAUKXSAKSA-N 413.519 1.829 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1765921755 HCPQCJSDYSTMSU-UZLBHIALSA-N 419.432 1.985 30 10 HDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1Cl 1768303805 AVBXHUIMJKOANN-ZFWWWQNUSA-N 416.869 1.668 30 10 HDEE COC[C@@H](F)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770796293 WJZRYXIZPXNSHV-HOTGVXAUSA-N 416.505 1.838 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)cn1 1851122421 PLVBGUBDZQSALH-UHFFFAOYSA-N 400.236 1.709 30 10 HDEE C#CCN(C)C(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851594550 RXQBJHFPJMRUJC-LJQANCHMSA-N 400.456 1.743 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)cc1 1851654576 ZQWWMBRPQMEDGZ-OAQYLSRUSA-N 420.469 1.675 30 10 HDEE Cc1nc(NC(=O)c2cn3cc(C#N)cc(Cl)c3n2)cc(N2CCN(C)CC2)n1 1851840641 JHZGZOHGRKBHPD-UHFFFAOYSA-N 410.869 1.962 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)CCn1ccn3nc4c(c3c1=O)CCCC4)C(=O)C2 1851988928 OPAWTOKPBBWRDW-UHFFFAOYSA-N 401.426 1.752 30 10 HDEE COC(=O)C1=C(NC(=O)[C@H]2CN(C)C=N2)c2ccccc2[C@@]1(C#N)c1ccccc1 1852917646 QNOFFFGQZQHBDP-WZONZLPQSA-N 400.438 1.852 30 10 HDEE N#Cc1cc(NC(=O)CCCN2CCS(=O)(=O)CC2)n(Cc2ccccc2)c1 1853175642 ORWDPWRIAMLZDM-UHFFFAOYSA-N 400.504 1.857 30 10 HDEE COCCC(=NOCC(=O)N1CCCCC1)NS(=O)(=O)c1ccc(C)cc1C 1853407389 KLJQIOYVFTUSJB-UHFFFAOYSA-N 411.524 1.961 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2nncn2C)C2(C)CCN(C)CC2)CC1 1853456728 FSGHKKGUFRNECK-UHFFFAOYSA-N 410.544 1.405 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CCC(F)(F)CC2)C(=O)C1 1853953082 PHZWIUNUKAGBDA-UHFFFAOYSA-N 411.430 1.743 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2=O)CC1 1854724354 CRPDATUGASWCQZ-CVEARBPZSA-N 402.520 1.758 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)CCn3nnc4ccccc4c3=O)C2)CC1 1855590435 IMEYQABPRNQJNQ-QGZVFWFLSA-N 409.490 1.599 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C(=O)CCN(CCCC#N)c2ccccc21 1856045186 WLPZVGOVTFUDTH-GOSISDBHSA-N 418.519 1.874 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3C(C)(C)CC(=O)CC3(C)C)CC2=O)CC1=O 1856062858 WBDSELIWJZHCNQ-CVEARBPZSA-N 403.523 1.618 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)s1 1856346937 BPSAGQZODMFQDQ-LBPRGKRZSA-N 400.426 1.817 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2COc3ccccc32)c2ccccc21 1856894998 JJHIQBRVDYKGDF-HNNXBMFYSA-N 411.439 1.786 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)[C@H]4COCCO4)C3)CC2)s1 1856901934 JNZWMKKNVFURSD-CRAIPNDOSA-N 403.504 1.622 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1Cc1ccc2ccc(Br)nc2n1 1857091037 FVHSKUIOCDILKA-LLVKDONJSA-N 402.252 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857357244 XTCCAVXBFPGCAU-SJORKVTESA-N 404.511 1.997 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCS3)C2)CC1 1857378343 TXINTGVWQBKAQE-SJLPKXTDSA-N 413.547 1.736 30 10 HDEE COc1ccc(NC(=O)[C@@H](Oc2cccnc2N)C(=O)/C=C/C(=O)O)c(OC)c1 1858707490 IDYVWXWYOSPIFM-OZSKJFCKSA-N 401.375 1.277 30 10 HDEE CCn1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c(C)n1 1889298873 LVBIUTCKDQDUOB-UHFFFAOYSA-N 415.582 1.862 30 10 HDEE COc1cc(=O)n(-c2ccc(F)cc2)nc1C(=O)N1CCC(C#CCN(C)C)CC1 1890003788 PECZXTSTMOHHIO-UHFFFAOYSA-N 412.465 1.797 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1891290469 ABYYRGQETRICSO-MRXNPFEDSA-N 405.414 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CNS(=O)(=O)c2ccc(C#N)s2)CC1 1918778896 JDQUOAVMBRKEJQ-UHFFFAOYSA-N 401.510 1.660 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1(F)F 1965777170 IPPAEQPVUMQQKK-CYBMUJFWSA-N 402.423 1.876 30 10 HDEE C=C(CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 1991971767 WJWVJFUCFMIVQJ-LSDHHAIUSA-N 410.320 1.908 30 10 HDEE C=C(CNC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020853756 WKZVGZFOZXSWCF-CQSZACIVSA-N 423.319 1.368 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074702773 RJGQVBZWQVKQDB-DEXQXJORSA-N 408.476 1.315 30 10 HDEE C#CCN(C(=O)CC[C@@H](C)CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180116310 XWPCGZDCSCOCTB-HZPDHXFCSA-N 400.541 1.966 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1 2229908761 JZBFVALGQJTIPJ-NSHDSACASA-N 403.530 1.565 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2243108507 MLWIGTUOPUCKEK-OAHLLOKOSA-N 407.320 1.703 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2243685891 DFTNGSPBMGFZKG-CQSZACIVSA-N 408.304 1.546 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)[C@@H]3CCN(Cc4ccccc4)C3)s[nH]2)OC1(C)C 2244015769 UHOILBOMBFSJMG-OAHLLOKOSA-N 414.340 1.720 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247918890 RLIFGINDTPGECI-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@H]3CN)cc2Cl)OC1(C)C 2267416861 ULAPCDQVKQQFNI-GXSJLCMTSA-N 406.766 1.716 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712976 JLJJMXZTBVHVSO-GHMZBOCLSA-N 404.388 1.029 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281967881 STUVBPMWXSGXOW-UHFFFAOYSA-N 402.347 1.305 30 10 HDEE CCN1CC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282499470 PTBIKIJIZRVPTR-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)Nc2nc(CN)cs2)OC1(C)C 2282500631 ZMEHWAXNCDQWJJ-UHFFFAOYSA-N 415.371 1.904 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]34CNC[C@H]3C4)cc2Cl)OC1(C)C 2282824559 CDARBMWLDUTJFD-HWPZZCPQSA-N 418.777 1.589 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]1C(C)(C)O 2282831489 LFWCOIHKNKEESJ-ZDUSSCGKSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N[C@@H]3CCCC34OCCO4)cc2)OC1(C)C 2282834335 SKCOOWYATPQXGP-QGZVFWFLSA-N 423.340 1.701 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCCC[C@H]2N)OC1(C)C 2282849793 GZANBHPTJHMZCQ-ZIAGYGMSSA-N 400.375 1.986 30 10 HDEE CCN[C@H](C)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866768 OTICHRZWPONPIA-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867076 SXLWCZXEOXKJIY-LLVKDONJSA-N 423.387 1.149 30 10 HDEE C[C@@H]1C[C@H](C(=O)O)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284398286 WFZBPDQQDIHSRV-ZYHUDNBSSA-N 401.315 1.425 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284401665 CKKMADQAWWJRDH-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccncc2)CC1=O 2327841545 OYNZXCUUJOLJMC-CYBMUJFWSA-N 401.496 1.247 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2329056058 CCNGMAKXPKZZCC-CQSZACIVSA-N 418.479 1.877 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367791764 ZSFZDFAPAMTSHX-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2367793174 ULWQTZWNBCASFL-QAPCUYQASA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(CNC(=O)OC(C)(C)C)C1 2367809174 KPQAHKGJQYISCB-XAUUPUKJSA-N 400.541 1.211 30 10 HDEE C[C@H](C#CC(=O)N1C[C@H](C(=O)O)C[C@@H](P(C)(C)=O)C1)NC(=O)OC(C)(C)C 2370207894 QAQCPSQVSPVDKS-MGPQQGTHSA-N 400.412 1.827 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 59760452 ARGOQOJAPNBWQR-QGZVFWFLSA-N 423.491 1.708 30 10 HDEE C=CCn1nc(C)c(/C=N/Nc2nc(SC/C(O)=N/c3ncn[nH]3)n[nH]2)c1C 59831323 WPIPCXWVSYQJDQ-UBKPWBPPSA-N 401.460 1.748 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3nncs3)n[nH]2)cn1 59887085 LVFSCROLKUSYOU-GIDUJCDVSA-N 422.500 1.066 30 10 HDEE COc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc(OC)c1OC 169907931 OBQRNHXQKAVRJK-GIJQJNRQSA-N 407.404 1.459 30 10 HDEE COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 254743094 MPKGIKMGKTVAEM-NEPJUHHUSA-N 424.422 1.833 30 10 HDEE COc1ccc(CCC(=O)N2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 409625594 XEHOIJMSLTXVRY-INIZCTEOSA-N 410.478 1.413 30 10 HDEE CCOC(=O)c1c(NC(=O)c2cc(C#N)cn2C)sc2c1CCS(=O)(=O)C2 433494115 QDVJABZYCQXYJG-UHFFFAOYSA-N 407.473 1.858 30 10 HDEE COc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1C#N 460572051 FZOOWTYHQDXHTC-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)cn1 462093028 MNFJPZPJJSJWHJ-UHFFFAOYSA-N 422.493 1.301 30 10 HDEE CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)C1CCN(S(C)(=O)=O)CC1 462105807 WHLKNFPZWRMHCS-UHFFFAOYSA-N 403.468 1.027 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 463308831 NOCSVMSCAVPCIA-QPHFJENPSA-N 418.247 1.292 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)C 467256795 CGFMOHVKCRJRJU-KRWDZBQOSA-N 408.524 1.635 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 470368879 GLVCOAZGVRTLRL-OAHLLOKOSA-N 401.433 1.765 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(C#N)c(SC)nc1O)CC2 476549651 ZUSHDQBWEDQCPN-UHFFFAOYSA-N 418.500 1.882 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)N1C(=O)NC2(CCCC2)C1=O 479278987 IIJDHQAKFLEABG-KRWDZBQOSA-N 423.517 1.914 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4ncc(C#N)cc4Cl)CC3)C2=O)n(C)n1 507909914 HADRTYNIKGLMKO-QGZVFWFLSA-N 413.913 1.966 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)c3ccc(F)cc3)CC2)c1 513789128 CNFXGZPMUYCEQI-UHFFFAOYSA-N 401.463 1.929 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H]1n1cccn1 518248693 YXZHVWVFUIIXRZ-QWFCFKBJSA-N 407.478 1.882 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 521568728 LXEQAIZBVUPYFB-OAQYLSRUSA-N 402.454 1.992 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N(C)CC(F)(F)F 527519527 WCWWGBWXHFQZAV-CYBMUJFWSA-N 418.441 1.274 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCN(c4ccccc4)C3=O)CC2)o1 532716228 RWYXCFNDGSPZBR-LJQANCHMSA-N 422.489 1.241 30 10 HDEE C=CCN1CCC(NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 538369269 CVYLXKQLYXYMRC-LEWJYISDSA-N 411.550 1.535 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C[C@@H](C)C(=O)OC)cc2)CC1 544799849 LSEXBQOZEUHLJS-MRXNPFEDSA-N 402.495 1.490 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)n1 546196679 MRNIOBQQMUTOMA-KRWDZBQOSA-N 410.522 1.966 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 555242800 ZMGPOOLAGYCPPD-UXHICEINSA-N 418.586 1.589 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2nc(O)n[nH]2)CC1 567412115 WAFCSTOSSCBUGF-UHFFFAOYSA-N 412.269 1.713 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 578177363 NWODHLRFOVONSM-CYBMUJFWSA-N 421.445 1.496 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 603798006 HWJZKAFSYJGFMD-QGZVFWFLSA-N 409.511 1.179 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 604189236 VZJRGCDBSGUGBA-SJORKVTESA-N 421.339 1.934 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)n1 611599769 PUFQVYFGTJBKQI-INIZCTEOSA-N 412.425 1.784 30 10 HDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 619852789 BDCSUJWWRFGAJV-SZNDQCEHSA-N 423.452 1.813 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 669740455 OOHPXFXRADVOEA-UHFFFAOYSA-N 415.494 1.125 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NCCC)C1CCN(S(C)(=O)=O)CC1 689599741 RJQFAXXMBCKIDX-IAGOWNOFSA-N 401.573 1.943 30 10 HDEE C#C[C@]1(O)CCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 708090290 RMQTWWVGBJMEAP-LBPRGKRZSA-N 424.114 1.553 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccoc2)c1=O 727414735 ACOPAESGOXMFHY-UHFFFAOYSA-N 421.478 1.162 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1 730314670 KGOISFQLVWCPFM-KRWDZBQOSA-N 401.488 1.809 30 10 HDEE Cn1nc(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c2ccccc2c1=O 730403891 GIJLGMIRAKUIII-UHFFFAOYSA-N 416.846 1.506 30 10 HDEE COc1ccc(C)cc1CN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742175199 OVNRZDAZBCFCJE-UHFFFAOYSA-N 400.504 1.845 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(c3nnc4n3CCC4)CC2)C1=O 743354265 OSZHAHAQPXUJIR-QFIPXVFZSA-N 419.489 1.700 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 756677597 RHRIQWJKAQJPEY-GFCCVEGCSA-N 417.325 1.900 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C1 761690098 XPMJZSWBOFGAMK-JKSUJKDBSA-N 403.483 1.979 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 776227362 XGWARVLYHGFVAH-MSOLQXFVSA-N 405.882 1.753 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 783465033 YXLMGTFBVGGCMS-UHFFFAOYSA-N 406.442 1.198 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)n1 789079611 SLWVKBZRMNPQRU-UHFFFAOYSA-N 423.477 1.464 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCC2CCN(CC#N)CC2)c(F)cc1Cl 795879012 DAUYDCRWVBPHQP-UHFFFAOYSA-N 403.863 1.780 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)n1cnc(C#N)n1 798398905 CZMGYTNWSPLACN-PEUHRCAASA-N 401.452 1.162 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 800784452 JQDWNOFDEONVFI-NRFANRHFSA-N 413.478 1.886 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 803523104 LVIPBSWPCHRUIF-OAQYLSRUSA-N 401.466 1.809 30 10 HDEE C#CCCS(=O)(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 808308870 DOAXAQIRFABVQL-SJORKVTESA-N 406.504 1.613 30 10 HDEE CC(=O)Nc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(F)cc1F 810226469 YMNIBKCYEZNURB-UHFFFAOYSA-N 408.386 1.712 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 811155303 SFHYBYQBWMEENF-GFCCVEGCSA-N 403.416 1.055 30 10 HDEE CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)nc21 817495199 HAMHLKYJNCSCQY-WHBPPDGWSA-N 418.475 1.981 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ncc1C#N 1125914964 TUGCCVUOYWDWNY-KRWDZBQOSA-N 407.478 1.287 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3([C@@H]4CCCCO4)CCOCC3)CC2)c1C#N 1128030844 QPBZOMVVKMFUBQ-SFHVURJKSA-N 401.511 1.615 30 10 HDEE C#C[C@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C1CCOCC1 1131257610 RKWZYNQAVPYNJW-FQEVSTJZSA-N 418.559 1.915 30 10 HDEE C#CCOCCC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1134467287 HGGPMSCIKJWMPE-HNNXBMFYSA-N 412.227 1.331 30 10 HDEE C=CCN(C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136358215 JOZOOUAGIRPAHB-ILXRZTDVSA-N 404.529 1.052 30 10 HDEE Cn1c(S)nnc1[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1136710721 VODLDMBIQOCPMU-LLVKDONJSA-N 423.495 1.560 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1138703823 ZQCMMTILCGBHLF-DLBZAZTESA-N 402.344 1.821 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CO)NC(=O)OCc2ccccc2)c1 1141896377 CCDBSVIWFJAELR-IBGZPJMESA-N 409.442 1.352 30 10 HDEE CC(C)N1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1143041416 STABBQNNLITBLW-OAHLLOKOSA-N 405.296 1.882 30 10 HDEE CC#CCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1152939012 MFGNETNZPWUKRF-UHFFFAOYSA-N 412.284 1.889 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 1156148061 OBNHZJFQWBGKMQ-UHFFFAOYSA-N 411.487 1.850 30 10 HDEE CCOC(=O)c1cnn(C2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1 1158599081 DNMJYTACZNCXAF-UHFFFAOYSA-N 409.446 1.525 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(N)=O)[C@@H](C)c2ccccc2)s1 1160008066 BZDNOQVKYOVNAB-SCLBCKFNSA-N 421.544 1.529 30 10 HDEE COC(=O)C12CCC(CC1)N2CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1175323994 RDRLFJQZXPWBML-LVIWNVNYSA-N 414.481 1.705 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@H](C#N)C3)ccc2F)CC1 1177388898 HGYPNIQWDHHULC-OAHLLOKOSA-N 422.482 1.054 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CCOCC1 1195015561 UCFBNEMOYISPRA-UHFFFAOYSA-N 414.281 1.882 30 10 HDEE C=C[C@H](C(=O)OC)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1195135141 FFHROGZGYNUXJR-GVDBMIGSSA-N 422.526 1.582 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1199830621 USMUAYRGVPTLPO-UHFFFAOYSA-N 402.451 1.101 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)C1=O 1210619252 HSNMMRUDGGQHEA-CQSZACIVSA-N 406.464 1.872 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc(Cl)c2F)CC1 1219857796 ZECFIMOZIFQALF-UHFFFAOYSA-N 409.270 1.750 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2=O)cc1 1226110959 GVELUNXCLKBWFA-OAHLLOKOSA-N 423.395 1.817 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)c2ccccc2C1=O 1227996718 JQJZFHNONPFZFQ-LJQANCHMSA-N 406.442 1.919 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C(=O)OC)c(OC)c2)n1 1230441422 SQCMWEUJFCJXSQ-UHFFFAOYSA-N 414.462 1.670 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)c1C 1234023509 JJUXAAIBFOZNLU-IBGZPJMESA-N 423.473 1.987 30 10 HDEE CO[C@@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)COCc1ccccc1 1252877192 JTEROAJUALZOKE-YSIASYRMSA-N 421.519 1.188 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 1253867932 QNEWJYWIDQEBNJ-MSOLQXFVSA-N 402.520 1.888 30 10 HDEE CO[C@@H]1CCOC[C@H]1NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1255830632 VAUYHOHPZCKTOH-RTBURBONSA-N 412.494 1.670 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1286276228 WOANURRDIXAVPL-XYJFISCASA-N 424.615 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1286297750 YHVXODNMNJJMMW-RHSMWYFYSA-N 419.507 1.188 30 10 HDEE C#CCCCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286333836 BZWMNZKKXUHOBD-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286393039 JVKUKCIFXFHVHW-RTBURBONSA-N 414.531 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)C(C)(C)C 1286412180 BXOGYOBMCUAUDW-UHFFFAOYSA-N 419.576 1.920 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2CC)CC1 1286473541 PAEQMFQUEQUGMK-UHFFFAOYSA-N 421.465 1.268 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1286582239 UTKWMSSLXPQGNA-CQSZACIVSA-N 403.936 1.766 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1286757215 IULXKMQJEMASKL-HNNXBMFYSA-N 419.507 1.268 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286788374 VKOPKQNDJQWMKY-UWJYYQICSA-N 418.542 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCOC2(CCOCC2)C1 1286816913 IVXNJJUNHSYAKG-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286821991 XRWXNGDEQVQMKM-AEFFLSMTSA-N 419.551 1.868 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1C#N 1289147052 XYOUHLVDVSTWRM-UHFFFAOYSA-N 410.459 1.925 30 10 HDEE C=CCOC[C@H](NC(=O)CCn1c(S)nnc1-c1ccc(C)cc1)C(=O)OC 1297029050 BTZNOXLHYPWJBJ-HNNXBMFYSA-N 404.492 1.793 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccn2C)n1CCCn1cnnn1 1298283817 PBTYZHIYLHGFRO-UHFFFAOYSA-N 402.466 1.868 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1c[nH]c2ccc(I)cc2c1=O 1300300375 HORPSAYMGSDISB-LLVKDONJSA-N 410.211 1.637 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1300382305 PQJQHLPRGOUDHE-UHFFFAOYSA-N 406.494 1.423 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300417353 SUKNTPDAEHMYCL-KRWDZBQOSA-N 419.493 1.209 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300497531 ZTMUWPCJSVNOQZ-IKGGRYGDSA-N 409.556 1.097 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300522499 GMLMDHYLUCOATR-GOSISDBHSA-N 422.514 1.171 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C 1300664685 DJPPXIQDDLYJAX-MRXNPFEDSA-N 412.556 1.471 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](COC(C)C)C1 1301508384 JIFWHUKOPVUJAE-GOSISDBHSA-N 414.510 1.196 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301510656 ZLMMVCMXBPGRBC-HSZRJFAPSA-N 422.533 1.472 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1301610222 TXZLSSZAVUEQEQ-HNNXBMFYSA-N 406.556 1.597 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301618419 RTQKOUHYBLRXBV-UHFFFAOYSA-N 404.540 1.670 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1302095163 DHOGJPKTPONVHJ-AXVVYFOYSA-N 421.498 1.069 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 1302924542 OWLPZDGZPFSHPU-UHFFFAOYSA-N 422.507 1.098 30 10 HDEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1303596840 DXQQDSWXJAKHBS-IAGOWNOFSA-N 420.473 1.500 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1303642674 LKSRYSOQTKGXRI-SOUVJXGZSA-N 418.523 1.548 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOCC(F)F 1303822843 FQSIRNBGIGQNFZ-LBPRGKRZSA-N 420.486 1.300 30 10 HDEE N#C[C@]12CN(C(=O)c3nccnc3SCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1304270299 DIZZHAQNGZKJFO-HNAYVOBHSA-N 414.512 1.779 30 10 HDEE C[C@H](NC(=O)[C@H](C)N(C)Cc1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 1308113402 MTYUAKYWJXBDCL-STQMWFEESA-N 406.533 1.965 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1 1309420081 FTSLVKUSHAUBHX-UHFFFAOYSA-N 415.533 1.594 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](O)Cc2ccccc2F)C1 1312468966 JECZPCVRHAENMW-ZOBUZTSGSA-N 406.458 1.787 30 10 HDEE CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1314482413 GFRKYSSGHYWGAX-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1314638412 CSEXHTIKGIBLDF-GOSISDBHSA-N 417.473 1.958 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@H]2CCOC2)CCO1 1316540429 VNYLJYBNMHXOCT-FGTMMUONSA-N 405.499 1.344 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn3c2C[C@@H](C)CC3)c1 1357766203 AELKPKVNKVQFPH-KRWDZBQOSA-N 406.486 1.952 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1358938704 HXDPBYFSCFHUMP-JKSUJKDBSA-N 417.535 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCN1CCOC(C)(C)C1 1358995748 DKJNSFWCOFCYHN-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(C)=O)nc1 1359022826 NXOIPIXJXVHSDT-UHFFFAOYSA-N 406.450 1.223 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCOC(C)(C)C2)CC1 1359034878 FOCTWHKLMUKLNI-LJQANCHMSA-N 416.570 1.386 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359132386 WMQJZDHMNQBMGG-OLZOCXBDSA-N 403.405 1.589 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C)C1CC1 1359249672 LIBKFPTWCAHKBE-UHFFFAOYSA-N 421.505 1.825 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC2CC2)CC1 1359296433 JDQPOMFUFXZPPH-UHFFFAOYSA-N 410.522 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCN(C)C(=O)C1 1359299058 SYNKSYVOJDYJKA-UHFFFAOYSA-N 421.461 1.181 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1noc2c1CCCC2 1360644840 DLVKCVPSTVYQJC-STQMWFEESA-N 421.527 1.542 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1437899168 AKDNLLCNSZNSTI-CYBMUJFWSA-N 409.895 1.648 30 10 HDEE COc1ncc(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)cc1C#N 1439462910 ZVYSRPGKXUHHAY-UHFFFAOYSA-N 408.461 1.630 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(COCC(F)(F)C(F)F)c2)c(=O)nc1O 1441628565 DDUJHSHSSVRYMV-UHFFFAOYSA-N 414.315 1.876 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1444158304 KKHBXCYXIFPQFJ-SUMWQHHRSA-N 408.501 1.104 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2nccnn2)CC1 1453983156 VRDULSPPJISLFM-UHFFFAOYSA-N 403.240 1.233 30 10 HDEE CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 1454151467 IWQWOMBPTLQASN-UULLZXFKSA-N 400.460 1.945 30 10 HDEE Cc1cc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c(C)n1-c1ccc(C#N)cc1 1454224573 LTWTUJNZBOZALI-UHFFFAOYSA-N 401.492 1.364 30 10 HDEE Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)ncc1C#N 1456243742 GMZMZSBQXPUSPS-UHFFFAOYSA-N 413.503 1.128 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1462090480 AVMLDSNZCIMSQJ-IAGOWNOFSA-N 423.517 1.954 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)nn1 1464238009 ZLMVPHFOPOYWIA-UHFFFAOYSA-N 417.488 1.233 30 10 HDEE CC(C)C[C@H](C#N)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1464664570 AJPODVGSLIGAQS-WCVJEAGWSA-N 413.540 1.711 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NOCc1ccccn1 1468834135 SNOJXPQJEDRSTG-MRXNPFEDSA-N 402.476 1.927 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1469581235 AKARRLHULSZAJZ-PLDZJGDPSA-N 418.494 1.855 30 10 HDEE COc1ccccc1[C@@H](C)N(OC)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1469938112 STQIBGPXRJIZMC-CQSZACIVSA-N 403.460 1.996 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)CCC(=O)N1CCN(c3ncccn3)CC1)C2 1471358484 QSNPVNRNEZQLHH-LJQANCHMSA-N 404.474 1.061 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 1471937198 GOBLOMKBJHHXPO-KRWDZBQOSA-N 403.548 1.935 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CC1 1473748318 XGELADJRMWDNTH-UHFFFAOYSA-N 407.492 1.121 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(F)c(C(F)F)c2)CC1 1475012154 XNKGXAGQJPTVNZ-UHFFFAOYSA-N 403.426 1.209 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nncn1CC 1495528264 HEGJKRKDKJNUHR-ZDUSSCGKSA-N 407.482 1.986 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1503610776 CVTQZSJKSPTSRZ-ABAIWWIYSA-N 403.384 1.165 30 10 HDEE COC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1)OC 1504590755 YWBSKNJSIYEKFM-KGLIPLIRSA-N 407.421 1.537 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1COC 1504998719 KHOSAVUEEAVLGS-QFBILLFUSA-N 415.494 1.926 30 10 HDEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1507593778 GFPSGLGFIVHWGO-IBGZPJMESA-N 406.490 1.715 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1507724749 JEWQGDYUVPKAQF-MOPGFXCFSA-N 410.570 1.554 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(N(C)C)c2)CC1 1507726593 JFTDRBBFMODDHJ-UHFFFAOYSA-N 421.549 1.270 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507810180 WFDWJDPPZWAJCT-KVSKMBFKSA-N 423.583 1.682 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507832998 RQOUYZKZDFKBMQ-RXVVDRJESA-N 423.565 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCCO1 1508143720 JTVTWDMDGKWSRI-GOSISDBHSA-N 419.551 1.870 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C1 1508205747 BRXJCUJMGSKBKB-UTKZUKDTSA-N 415.542 1.805 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2([S@](C)=O)CCC2)CCOC1 1516127594 BDJACAYIMWXDIO-HWZVGPHQSA-N 409.556 1.827 30 10 HDEE CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCOC1 1516183180 ASPWVYXTDRDTJK-RZCIEDBCSA-N 409.508 1.880 30 10 HDEE COc1ccccc1OCc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C#N)o1 1518518846 KEPDEJYGDYXCOW-UHFFFAOYSA-N 422.445 1.705 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 1520902980 IBNUKGAFWQZMPX-FQEVSTJZSA-N 419.485 1.589 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 1521843943 VJRUFSFUUCYEKP-MRXNPFEDSA-N 401.492 1.461 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1=O 1525428674 OOPLSAJVQGPZEE-HNNXBMFYSA-N 411.380 1.861 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1534248341 PMGJDJZPGQWDFD-QAPCUYQASA-N 409.508 1.303 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1539072101 KXRPRSUXEXFCPA-HNNXBMFYSA-N 421.523 1.063 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1539265401 FRMWLGASBWVDOL-MRXNPFEDSA-N 416.478 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1539288872 IKXXFWSKYFMLND-FQEVSTJZSA-N 405.458 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(C)C 1539296121 MGJUXEMULNNXOD-BZSNNMDCSA-N 421.567 1.412 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1539350758 YDVXATPILBMRMB-CQSZACIVSA-N 403.464 1.748 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCCC2)nc1 1539409139 PKLAQCAQOVJHEC-UHFFFAOYSA-N 418.505 1.865 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1539428918 YBKUPSOZDKZPRQ-AVRDEDQJSA-N 414.554 1.617 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOC2CCOCC2)CC1 1539454115 WWDYZMHEDBYZTE-UHFFFAOYSA-N 424.549 1.605 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539490928 JUJCLPUMYBMDRP-LSDHHAIUSA-N 404.540 1.030 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539831575 JXLMLRPAHROOFB-QFBILLFUSA-N 410.540 1.521 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(N)=O)C1 1539916789 NWCVPAZYNQCQFY-GJZGRUSLSA-N 409.556 1.484 30 10 HDEE COc1ccc(-c2nn(CC(=O)NCCNc3ccc(C#N)cn3)cc2C=O)cc1 1540778479 HYTNUKFPWYPGJN-UHFFFAOYSA-N 404.430 1.866 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1540853714 KLXZBAIHUPNNLK-KXBFYZLASA-N 405.524 1.481 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1540858474 XXYOSCTYOJPMRL-QGZVFWFLSA-N 420.539 1.261 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1540876218 KRMWJTXRFOFQLL-CQSZACIVSA-N 406.531 1.981 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1541104293 UHOVKXUDHYITTJ-CHWSQXEVSA-N 405.409 1.945 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1C 1542482674 APCWRAWLNRISRU-SJLPKXTDSA-N 410.478 1.481 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 1544630669 QQBTXICVEBIIAV-CQSZACIVSA-N 407.492 1.346 30 10 HDEE C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1556216794 FRZBTUPHQGNSDP-MLGOLLRUSA-N 402.838 1.853 30 10 HDEE COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)s1 1557106791 YYRAYKQZXNOLRN-NSHDSACASA-N 422.488 1.531 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CCO1 1557532522 AHMDDZFUQRMLKJ-GOSISDBHSA-N 424.505 1.851 30 10 HDEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1558226221 LXMPOWWMDHJQHR-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C(=O)NCC2(CC)CC)cc1 1562198657 WLOWDGAWULMOAJ-INIZCTEOSA-N 408.524 1.919 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1 1564531668 WRCAOYXREIZZAB-JRATXPSKSA-N 400.426 1.859 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1565569627 XBGGFIRTLQCCDS-UHFFFAOYSA-N 417.462 1.800 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@]2(C#N)CC3CCC2CC3)c1 1565668485 JYOSLWGKGHCXQQ-MHVYXZCWSA-N 404.492 1.369 30 10 HDEE C#CCN1CCCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1565815838 UEBHYLLURMKVDK-GOSISDBHSA-N 408.543 1.210 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 1565853154 KCWZSPLRMUUBPT-MKJPBZQASA-N 405.520 1.948 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@H]1CO 1566498947 HAUIJTRPMWNDMF-CQSZACIVSA-N 411.549 1.222 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 1585305030 IUFIIBJKIALTKO-IAGOWNOFSA-N 404.532 1.954 30 10 HDEE C=C(C)C[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1587305566 RNPLAZVTQFEUSW-YXBWYFRISA-N 415.490 1.524 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C)C1 1587848195 ZKSSFBISBGIJOO-OAHLLOKOSA-N 402.524 1.877 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)c1 1588018833 YSTFIJXCNLSXBB-WOJBJXKFSA-N 404.532 1.591 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC1CC1 1588233663 NKJGZTLWJPGQLQ-FQEVSTJZSA-N 419.485 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1588659570 LFSOWFLMFHPCRT-UHFFFAOYSA-N 417.535 1.317 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCO[C@H]2CCOC2)CC1 1588811502 KVOKLZALZWLJJQ-RBUKOAKNSA-N 403.527 1.471 30 10 HDEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593683641 NDHUXBQYSHSUBM-OAQYLSRUSA-N 420.558 1.105 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593684063 RLEBNAQFYFAVFC-FQEVSTJZSA-N 407.515 1.190 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1594566398 GXQFSKQEBSNPCJ-YJBOKZPZSA-N 413.544 1.240 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC)C1CC1 1595020539 ICRWYVUTPJNEHJ-ZDUSSCGKSA-N 406.512 1.495 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@H](C)C2)C1 1595723528 XPMPAULSJIBGBI-KSZLIROESA-N 402.543 1.742 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1598567608 MTKWQXLNJVJBLR-FUHIMQAGSA-N 405.495 1.434 30 10 HDEE CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1613170768 OQZIDXCIDTVYQP-RMYFCYLKSA-N 412.498 1.688 30 10 HDEE COC(=O)[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]2CCN1C2 1614685308 LYMDREZKESGUGY-IEBWSBKVSA-N 400.328 1.665 30 10 HDEE CCN1CCN(C[C@@H](C)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1615911207 BKUJRLGFSJNGOX-ROUUACIJSA-N 409.575 1.963 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3cnn(C)c3)n2Cc2ccc(C#N)o2)CCOC1 1616154094 JCSOVIVSQJIKTM-HXUWFJFHSA-N 411.466 1.813 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617486901 JUGDBPVUOACTNP-YWZLYKJASA-N 416.478 1.568 30 10 HDEE C=CCN1CC[C@@H](N(C)C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1=O 1617562274 PSJOKSHNDDUDMX-KNQAVFIVSA-N 401.507 1.869 30 10 HDEE C#CCN1CCCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1618035554 NKMPJABOPPBFOU-KRWDZBQOSA-N 416.526 1.631 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC2CCOCC2)CCO1 1620354931 DUILDNORBRYECM-IBGZPJMESA-N 412.494 1.578 30 10 HDEE C#CC[C@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1620573227 FEEIGQUSXHWUGY-SFHVURJKSA-N 403.548 1.823 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1622227514 ZVYDHTVPSLTFMU-ZDUSSCGKSA-N 402.266 1.187 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)c(Br)c1 1622470804 BIJSHGBUBLBJOD-UHFFFAOYSA-N 416.297 1.456 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NC2CCCC2)C1 1623724798 LCRIGSMWINHSSM-UHFFFAOYSA-N 405.296 1.932 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1626962475 HXHJNGOQUAWBMS-HXUWFJFHSA-N 424.482 1.964 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1630864282 KDECAMWRZLVQCZ-LJQANCHMSA-N 403.548 1.563 30 10 HDEE C#CCN(C(=O)Cn1nc(C)oc1=O)[C@H]1CCOc2ccc(Br)cc21 1633715145 YCTRDNFBYDSQKV-AWEZNQCLSA-N 406.236 1.893 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)C2)c1 1634259909 LAMZVQUJOOKTEU-UHFFFAOYSA-N 410.908 1.874 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CS(N)(=O)=O)C3)n[nH]2)c1C 1634879253 XPXUHTLJCMXGDU-AWEZNQCLSA-N 406.512 1.217 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1 1635288163 HXFDVBFMCKJSCW-MOEXGYKKSA-N 410.396 1.861 30 10 HDEE C#CC[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1636838656 HDKPVYOGQKULJP-HRCADAONSA-N 414.531 1.836 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(N3CCCOC3=O)CC2)cc1 1639638153 PDHGQWAXNIRGFP-UHFFFAOYSA-N 405.476 1.306 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](C)N(CCOC)[C@H](C)C2)ccc1F 1639950754 YLVMMQQYTLOQGV-GASCZTMLSA-N 413.515 1.471 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)s1 1640547382 VSLJYTFKNUWBHQ-KBPBESRZSA-N 414.471 1.819 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCC#C[Si](C)(C)C)cc1 1641159083 HXRVQLDJXKVQPN-UHFFFAOYSA-N 409.584 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 1643959896 WQTVXGRDHZPIQZ-ZCXUNETKSA-N 404.467 1.513 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1644059092 MOQMGHDJGQQCBT-JKJDWNRSSA-N 400.445 1.726 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ncc(Br)cn2)cc1 1645252916 BBXJLWUNTIHLIA-UHFFFAOYSA-N 423.292 1.423 30 10 HDEE C=CCOCCCNC(=O)CNC(=O)c1ccccc1I 1645527276 PJRHGZQFGJMRJI-UHFFFAOYSA-N 402.232 1.730 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)[C@@H]1CCCOC1 1646159294 TYAHZSBKMXSNEE-DNVCBOLYSA-N 405.520 1.827 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCC(=O)Nc1ccccc1C#N)C[C@@H](O)CO 1646348182 DVULTMGICURZBE-MRXNPFEDSA-N 406.483 1.067 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CCO2)cc1 1647998400 NDYJBKNOROXBNW-KRWDZBQOSA-N 421.425 1.715 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nnn(C)c2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973251 IDWSJGOGCLPFHF-HNNXBMFYSA-N 401.511 1.781 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CO)(C(F)(F)F)CC1 1653090537 RPWCZLNUALYPQK-GFCCVEGCSA-N 419.425 1.388 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1654805846 FTDWIAVVZUXFNM-CEXWTWQISA-N 419.570 1.620 30 10 HDEE CN1CCN(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1654836966 QDWVLTSDKBSZNE-UWVGGRQHSA-N 409.321 1.863 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1663801904 SEXVLKNSARVCEZ-RBUKOAKNSA-N 406.504 1.699 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1 1667956249 MEGXGLAFVGVPNG-YJBOKZPZSA-N 409.556 1.249 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC2)c1N 1669657066 DAXRKEPGAHVICO-ZDUSSCGKSA-N 412.516 1.005 30 10 HDEE C=CCN(C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1)[C@@H]1CCS(=O)(=O)C1 1674109905 HBWMYQZWRIKGGC-OAGGEKHMSA-N 407.496 1.051 30 10 HDEE C=CCC1(C(=O)N2C[C@@H]3C(CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)[C@H]3C2)CCOCC1 1678898807 UAVFXSMRHOWMIV-GSAXKUOUSA-N 400.519 1.603 30 10 HDEE N#Cc1ncn(CCNC(=O)NCCc2ccc(I)cc2)n1 1680972673 DLUXMOYZGYCBMA-UHFFFAOYSA-N 410.219 1.296 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1682163037 PNMODBPNYAIROH-KSSFIOAISA-N 411.499 1.869 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)nn1 1683483244 RGGFZJHUBYPDLC-UHFFFAOYSA-N 402.430 1.036 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c(F)c1 1683793780 YFINDWBKCPPQOY-HHHXNRCGSA-N 406.405 1.840 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1685177206 NSWXNLLIWGUOQZ-WLSWZUKCSA-N 413.503 1.515 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1689850317 ZUOFWBVHOJFTCA-CRAIPNDOSA-N 406.490 1.862 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1689924248 AFISABRZPXOGKB-UHFFFAOYSA-N 422.537 1.283 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1689948637 AFBVTXLYHDLECQ-JOCHJYFZSA-N 411.506 1.738 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1689987974 GRUCAWXLTCAKKM-MRXNPFEDSA-N 419.507 1.355 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1690015314 ICPIACCCKCMDME-OAHLLOKOSA-N 414.416 1.389 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1690077385 NMHOYVCIDFCEIX-MRXNPFEDSA-N 423.539 1.118 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1690184455 ISHQNCFWVUUZNP-UHFFFAOYSA-N 415.519 1.511 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1 1690234910 QXJFVCYEMDFLBF-AEFFLSMTSA-N 411.510 1.922 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690246497 VDFLNWWDEHKHHQ-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690249566 ZGVQNUUYBFESEC-AOIWGVFYSA-N 423.583 1.826 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690639529 XGUZZVVHSVPFOR-CQSZACIVSA-N 401.471 1.651 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691010034 BPPNYNJCHOYCIJ-FGTMMUONSA-N 417.558 1.668 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1CCOC 1694941191 FCMAXZSSRSIOIX-INIZCTEOSA-N 422.493 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705491184 ZMEWTODGEUTGMS-RBZFPXEDSA-N 410.503 1.920 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1705499044 KDZWFPUQUYVTEK-HNNXBMFYSA-N 420.539 1.576 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705518104 GKTRKEYMMQDKPX-UHFFFAOYSA-N 421.505 1.588 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705524715 RDYCJNRPKXLXSQ-CVEARBPZSA-N 424.571 1.044 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1705550198 UMJQZEXZSYHQRJ-INIZCTEOSA-N 422.489 1.550 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(C(=O)NCC)CCC2)CC1 1705637692 IMGDDTRDIHUSMP-UHFFFAOYSA-N 407.522 1.402 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705662914 PSBKWKGGRXACLH-SFHVURJKSA-N 414.579 1.787 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705667483 MLYMGJUXLQKCLM-IAGOWNOFSA-N 402.524 1.807 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705832313 UMCCIJONPVSAOQ-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1705873526 MVTKFNOBNSNXKH-UHFFFAOYSA-N 421.505 1.989 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](c2ccco2)C1 1705908365 AGWPZLNSRPPLOM-BXWFABGCSA-N 415.494 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](COC)C1 1705936068 JLRGPBVNGOBBOF-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1705988649 YLBDJEGFYJDOPG-FQEVSTJZSA-N 424.505 1.681 30 10 HDEE Cc1ccc([C@]2(O)CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)cc1 1707338977 BFMPYTDEMPKJMT-PANRORFQSA-N 422.489 1.519 30 10 HDEE CN(CC1CCCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711140912 AVKMBHOWZNAPLP-IGGDJGDASA-N 414.510 1.935 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnn(C)n1 1711676572 DKSBEBVNKUQSQY-KRWDZBQOSA-N 417.836 1.621 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1COCCO1 1712529875 ISRHNOZFTCXQBD-AEFFLSMTSA-N 407.515 1.938 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CCO1 1712885131 ZVTKVCNXRZYNSO-ROUUACIJSA-N 415.542 1.614 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722371874 ZIHZFTUKPHMVAT-QZTJIDSGSA-N 423.583 1.488 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)s1 1722429352 QBBBOZRHCWDQSA-OAHLLOKOSA-N 408.549 1.684 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1 1722429771 VYVIFUPPWQORDI-KRWDZBQOSA-N 400.479 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN(C)C(=O)OC(C)(C)C)CC1 1722443541 KXAIFOCWLYITSU-UHFFFAOYSA-N 404.515 1.419 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1722466682 CFGLPALKJUHNMJ-HEHGZKQESA-N 417.482 1.305 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1 1722500018 GLLQJTRVRYTQPG-CQSZACIVSA-N 420.539 1.438 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1722638852 PYHAUBPBPFLPOD-CVEARBPZSA-N 416.551 1.986 30 10 HDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1723049601 DKJHDCXTRCRHGH-HZPDHXFCSA-N 410.544 1.706 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc2[nH]ccc2c1 1723619687 ARUDUTIFIWETRA-KRWDZBQOSA-N 407.478 1.869 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1724657828 RUWYMISDZVTJJW-LIUPEVMDSA-N 401.551 1.900 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1nncn1CC 1727196305 IBONBFDTONTTNP-UHFFFAOYSA-N 413.530 1.986 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1727653351 LPTKJUNMZLFVQU-SFHVURJKSA-N 421.461 1.714 30 10 HDEE CN(C)CC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1729333837 XDRPQUYGWJDLAL-CQSZACIVSA-N 415.498 1.322 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nnc(C)s1 1730945129 AKVKYLTZZAJDBP-YEWWUXTCSA-N 421.502 1.847 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1731188895 JLFKYYSENWRYQS-KRWDZBQOSA-N 421.461 1.528 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)CC1 1731190764 XPXKDWZUAZXALX-ZWKOTPCHSA-N 416.526 1.945 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1740552963 PKOJZUNKOKUKOE-MHORFTMASA-N 423.583 1.895 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1740857115 DDBBGARTGJBHEE-APWZRJJASA-N 412.556 1.514 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740892192 SBYCJYVSJUBCCP-VQIMIIECSA-N 412.556 1.766 30 10 HDEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740901328 OOFQGXSKSWACDU-GOSISDBHSA-N 410.927 1.694 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740957037 ZHYHDGLEQSTOBG-IBGZPJMESA-N 410.522 1.331 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1743408312 ZZVBZPGJHLKUMH-ZWKOTPCHSA-N 421.505 1.590 30 10 HDEE CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1747293144 IIWUAMLNMDOLPZ-UONOGXRCSA-N 422.511 1.264 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1748713779 SQFUQAJYCLHNBY-UHFFFAOYSA-N 408.510 1.876 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1748717734 HHZVVVZWXQHJLE-SFHVURJKSA-N 405.568 1.516 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748814955 MBFMISUHILLEJP-KRWDZBQOSA-N 402.524 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749139739 ISNKHFJYTUERIV-WDYCEAGBSA-N 418.542 1.836 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1749412551 NWARJVHVKXAQPQ-CABCVRRESA-N 410.544 1.056 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1749625954 DXTREPBZHFNBQX-CYBMUJFWSA-N 402.455 1.907 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CC1CCC1 1749667254 WGPJNMHNHYXJHL-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749677045 LSZKCVKIELIUIL-LJQANCHMSA-N 416.570 1.472 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCC1CCOCC1 1749730850 SSDVVLUPGSCAQD-UHFFFAOYSA-N 422.555 1.532 30 10 HDEE CC(C)(C)c1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)s1 1750131885 FVCUHMCCEZCFLJ-UHFFFAOYSA-N 422.518 1.950 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[C@H](C(N)=O)C2)o1 1750384358 XCRLJQVVHHFHPP-ZDUSSCGKSA-N 410.409 1.821 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1F)[C@H]1CCS(=O)(=O)C1 1760191830 ADQUXUYDKUXJRG-KRWDZBQOSA-N 420.510 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1Cc1nnn(C)n1 1760196010 DKGPRZLWZLSBJB-AWEZNQCLSA-N 406.519 1.776 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1cnnn1C 1760199659 DDKBNPPIRFWKGS-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@H]1C 1760214635 WNSBYCBUSKTACE-SBUREZEXSA-N 422.485 1.719 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCC(=O)NC 1760333957 IUHUGXJLNFAAGV-YJBOKZPZSA-N 401.515 1.622 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760357730 MSQVBIOAFPBRRW-OXQOHEQNSA-N 405.499 1.796 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760564379 XQNCGUYYZMZGHP-NVXWUHKLSA-N 417.535 1.928 30 10 HDEE CC(C)Cc1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761034397 KVIXZFLPELOYCV-FMQUCBEESA-N 415.542 1.533 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1766609316 RMECYUDHMQILDJ-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1766715451 OKMCVQNLVXERDZ-AWEZNQCLSA-N 422.486 1.142 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1771188786 QUHPRFLKVRWVMT-LPMFXHHGSA-N 408.478 1.359 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1O 1771488436 SFOKFKGTHVWXEJ-JLSDUUJJSA-N 408.506 1.939 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1848758706 APOJCLIQJOVZKN-CYBMUJFWSA-N 413.297 1.419 30 10 HDEE CC(=O)N1CCCc2cc(S(=O)(=O)N3CC(Oc4cccnc4C#N)C3)ccc21 1849699803 NNMMNDNUQCWQRJ-UHFFFAOYSA-N 412.471 1.704 30 10 HDEE COc1ccc2c(C(=O)N(C)C3CN(c4nccnc4C#N)C3)cc(OC)nc2n1 1849712613 ONISAFWRNTTXLW-UHFFFAOYSA-N 405.418 1.269 30 10 HDEE Cc1ccc(F)c(N2C[C@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)c1 1850793610 BKWSBMQDRQQERM-GFCCVEGCSA-N 401.419 1.752 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)CCCN2CCS(=O)(=O)CC2)c1C 1852275455 VIKBJIUVIGSRCW-UHFFFAOYSA-N 415.519 1.810 30 10 HDEE CN(CC#CCNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)Cc1ccccc1 1852570847 XXHPBUYIPVZNOZ-IBGZPJMESA-N 401.507 1.874 30 10 HDEE CC1(C)[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC[C@]1(C)C(N)=O 1852748551 GGXFDFWRDSHKCZ-VGOFRKELSA-N 413.522 1.546 30 10 HDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(C#N)cn1 1852957239 PZORSICILMZJRH-GFCCVEGCSA-N 405.402 1.025 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3cn(C4CCSCC4)nn3)C(=O)C2)C1 1854163668 BRRNMPWCANBPSX-KRWDZBQOSA-N 418.567 1.281 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)C(=O)C12CCCCC2 1854429554 UUPKVZYOLSVSEF-UHFFFAOYSA-N 423.466 1.432 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)c1 1856196860 DBHCMEBWQXIHRK-FUHWJXTLSA-N 418.519 1.121 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@@H]4CCCO4)C(=O)C3)C2)s1 1856277923 CDXNODMGWPYSEP-HOTGVXAUSA-N 402.520 1.434 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CCC(COc4cc(C#N)ccn4)CC3)C2=O)no1 1857015239 LWMDURRGRTVRHP-SFHVURJKSA-N 409.446 1.782 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COCc2ccccc2)C1)[C@H]1CCN(C)C1=O 1857097688 ZHJQXTQNCZGXBZ-UXHICEINSA-N 413.518 1.687 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1COCCO1 1857487428 ZODCTARPTGNALX-KRWDZBQOSA-N 408.476 1.104 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)N[C@@H]2CCCCN2[C@@H]2C(=O)CSC2=O)c1 1866233302 XXQMEBCUDJYECU-RNBODJDXSA-N 402.472 1.573 30 10 HDEE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)ccc21 1867204694 VKPFUDCRFZRNFE-QGZVFWFLSA-N 406.442 1.542 30 10 HDEE C=CCn1cc(OCC(=O)OCCCCCC)c(=O)cc1CN(CCO)CCO 1870417662 CJAOPOLJXCWMTH-UHFFFAOYSA-N 410.511 1.323 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN(C)C)c1C 1889724535 COIMSMMEJXHUBX-IBGZPJMESA-N 405.564 1.755 30 10 HDEE O=S1(=O)CC[C@@H](S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 1890628271 SHBYSZDFHQEILN-CQSZACIVSA-N 411.423 1.194 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1992861490 VVVKBUCRGYMIBN-XMSQKQJNSA-N 420.506 1.872 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)CCOCC1 2054403570 ASDKTGOVUXTFNR-IRXDYDNUSA-N 407.492 1.684 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1C#N 2054407368 FLJWDSDNIYQICR-KRWDZBQOSA-N 400.460 1.951 30 10 HDEE C=CCNC(=O)[C@@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074692932 UIYOIXPKOFVGCX-ZUUYNELLSA-N 410.492 1.584 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC12CC(C#N)(CO1)C2 2108229275 SNWBURFYIUQTHJ-VIQWUECVSA-N 421.450 1.003 30 10 HDEE C#CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2123517058 BVHWWGLJDYDUKK-KBPBESRZSA-N 404.554 1.282 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174770822 BUDYMVFCPYLHAC-OAHLLOKOSA-N 400.545 1.493 30 10 HDEE C[C@]1(C(=O)O)CC(F)(F)CN1C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F 2180576722 IMUZVQQJCWOBEI-RKDXNWHRSA-N 400.222 1.697 30 10 HDEE C#CC[C@@H](CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CC1 2196767133 UWAMPMGCUOIMCQ-JKSUJKDBSA-N 400.541 1.822 30 10 HDEE C[C@@H](NC(=O)N[C@@H](C)S(C)(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2203125065 CVWLURXLTPIHIH-NXEZZACHSA-N 403.335 1.193 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](N2CCN(C(=O)C#CBr)CC2)C1 2213739187 LCTDVOJOUTYPIE-ZIAGYGMSSA-N 400.317 1.932 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)C1 2243257521 FOZLMULTKNYZFV-UHFFFAOYSA-N 423.510 1.703 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@H]1CCO 2243430467 RMNMLRLRTAZNJS-OAHLLOKOSA-N 408.304 1.452 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247779374 RYVRSLZYUVKJQT-KGLIPLIRSA-N 422.287 1.289 30 10 HDEE C[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)C(=O)OC(C)(C)C 2247912296 DZMZAJPEFRYMJK-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2248481151 LFIPUCSNHWQAFU-GXZWQRSESA-N 420.315 1.810 30 10 HDEE C[C@H](O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267351764 DLABXDCYXQYKQR-ONGXEEELSA-N 407.750 1.845 30 10 HDEE COc1ccc(S(=O)(=O)NCC2(C)OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2267719596 HERCUZFPSSZAPB-UHFFFAOYSA-N 413.301 1.036 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCC(C4OCCO4)CC3)c(F)c2)OC1(C)C 2282052022 KYPFAEIPQCDXRG-UHFFFAOYSA-N 406.263 1.745 30 10 HDEE Cn1ncc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)c1Cl 2282332904 HWJUQTOYPDOCLK-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCO)CC(F)(F)F)s2)OC1(C)C 2282353507 HMTWXTLLELEREQ-UHFFFAOYSA-N 415.264 1.593 30 10 HDEE CNC1(C)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282426048 XJCSTUOMZHZXOA-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282491339 KQHPAXJBPXWIRJ-ZDUSSCGKSA-N 401.359 1.667 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282497169 MLUTYTJEAQLFJX-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE CC(C)CN(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497608 SDIGDPQCEHCYAN-UHFFFAOYSA-N 403.375 1.827 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@H]2[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282502497 MAIIGBQDZBBDDM-JIMOISOXSA-N 401.359 1.712 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282508459 WQPJZZCAEYPVPC-VXGBXAGGSA-N 402.347 1.429 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2C2OCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2282829887 LWBBSJYXTOEHCS-KRWDZBQOSA-N 423.340 1.820 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CCN 2282848340 MLAATIXPVRSNHM-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE C[C@@H]1CC[C@@H](CN)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852756 TUVHFJAQEIHBGF-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3COC[C@@H]3F)ccc2Cl)OC1(C)C 2282866784 PBXVBGDNVXKCGL-KBPBESRZSA-N 405.684 1.654 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC[C@H]3CN)s2)OC1(C)C 2282867860 FHSWQHOVQJPDJN-STQMWFEESA-N 400.375 1.843 30 10 HDEE COC(=O)C1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CC1 2283582124 MHCQRUZBUFEJOK-UHFFFAOYSA-N 401.315 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](F)C(=O)O 2284397385 LMWSGHKYBWEAJA-SNVBAGLBSA-N 407.294 1.447 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccnc1 2330772743 LECAWEOZSZBZLR-UHFFFAOYSA-N 415.523 1.732 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336215928 WYXQFILICITEFP-CABCVRRESA-N 402.582 1.801 30 10 HDEE COC1(C#C[C@@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2338328736 MPTOXVLZQRPXAN-KNQAVFIVSA-N 402.491 1.676 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc([C@H](O)C#CC2(S(C)(=O)=O)CC2)cs1 2342044083 LIPPLJJYPVWDLK-CYBMUJFWSA-N 400.522 1.824 30 10 HDEE CC[C@@]1(C)[C@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2361993182 WELFCUXREUVNEX-PBHICJAKSA-N 401.359 1.971 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2365210173 JOYNUYTZAJEYBA-WCVJEAGWSA-N 402.557 1.407 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240467 FVWAOPFQPZLFQE-ACJLOTCBSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 2367803058 HRPOTEQWHRMGFJ-ARFHVFGLSA-N 400.541 1.617 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 27903390 JLTXUUAKYNPYIT-KRWDZBQOSA-N 401.486 1.381 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 43272107 AJEOTHQPJJHFTH-UHFFFAOYSA-N 406.534 1.848 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 53309949 IJNRYBAFPOPQJE-UHFFFAOYSA-N 415.494 1.258 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNC(=O)CN2C(=O)c3ccccc3C2=O)c1 90732132 IKXWZLRNDCWVMY-UHFFFAOYSA-N 405.410 1.440 30 10 HDEE N#C[C@@H]1CNCCN1CC(=O)Nc1ccc(Br)cc1Br 97999141 LECLQDPOCZGXMM-SNVBAGLBSA-N 402.090 1.947 30 10 HDEE Cc1ccsc1[C@@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 101443612 CVWAZDKSEVTMLA-RYUDHWBXSA-N 412.475 1.065 30 10 HDEE CNC(=O)C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 430930985 AXTBEUCEOVSYQM-UXHICEINSA-N 419.485 1.836 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC(C)C)cc2C)CC1 437897454 QGMVBDQHPCPXFO-UHFFFAOYSA-N 401.511 1.585 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2-c2nncn2C(C)C)CC1 440285151 TWZKBVDFINWWSG-UHFFFAOYSA-N 411.510 1.978 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnccc1C(F)(F)F 442746036 YBUAHXKSRYYLSI-LLVKDONJSA-N 412.397 1.661 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443298875 UUJLLHZVLULLFH-LBPRGKRZSA-N 413.356 1.315 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 460929327 DPTCBZJDMARFKV-DLBZAZTESA-N 409.556 1.956 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCNC(=O)Cc2cccc(F)c2)cn1 462092853 QGHQBTXYYINJCF-UHFFFAOYSA-N 407.409 1.758 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccccc2OC(F)(F)F)CC1 465381178 XEGYIZMVYRSNMJ-UHFFFAOYSA-N 414.428 1.757 30 10 HDEE Cc1nn(C)c(N2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)c1C#N 472154656 DEKSGZHNVJKJDY-UHFFFAOYSA-N 418.505 1.224 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 486649099 GHDGBUYOJQQTMI-SFHVURJKSA-N 414.443 1.687 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 487346401 OIYSLFGRYIVBRU-VHSXEESVSA-N 421.397 1.312 30 10 HDEE C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@]2(C)CCC[C@](C)(CC(=O)O)[C@@H]2[C@H](O)[C@@H]1OC=O 504309044 ADTJBXOQJVMRCY-SZAHOQRZSA-N 420.458 1.025 30 10 HDEE biogenic N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 514306563 LEVWXXZJGYPMET-OAHLLOKOSA-N 415.540 1.276 30 10 HDEE C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2cnccc2C#N)CC1 515029615 IEQAJLZJEXPJCU-QGZVFWFLSA-N 421.501 1.594 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CN2CCSCC2)CC1 522870744 AEKMPGNSDBXWRL-UHFFFAOYSA-N 417.579 1.687 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cnn(CC)c1 523574121 DVZXRAPNYRFGGT-UHFFFAOYSA-N 407.499 1.145 30 10 HDEE Cc1ccc(C(=O)NCCCNC(=O)c2ccccc2)cc1S(=O)(=O)NCC#N 527201457 XPPRXMMHMDCPEC-UHFFFAOYSA-N 414.487 1.347 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN(c3nccc(OC)n3)CC2)c(OC)c1 532556792 IZXFWCZABMEZPV-GOSISDBHSA-N 414.506 1.784 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 552879265 HHGINQUILMYNRH-UHFFFAOYSA-N 406.508 1.455 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 555264849 AGHFQTWTJSOTCO-UHFFFAOYSA-N 419.493 1.927 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(CC(=O)Nc2ccccc2SCC#N)CC1 558483807 GYQCIFNLXIDKGI-UHFFFAOYSA-N 411.553 1.055 30 10 HDEE Cn1c(NC[C@H]2CN(Cc3ccccc3)CC23CCOCC3)c(C#N)c(=O)n(C)c1=O 558974292 YIGVAMNUEILEKM-SFHVURJKSA-N 423.517 1.296 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(CCCc4sccc43)C2=O)nc1 568316942 WMPGXAYRLQFWSA-SFHVURJKSA-N 416.484 1.572 30 10 HDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 576305434 YIOVBVUWWUHJMM-IBGZPJMESA-N 409.508 1.815 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 577305791 QUKGHQCRUCCCGM-UGSOOPFHSA-N 406.845 1.583 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 580454918 IPCSMGBOECIHBK-CQSZACIVSA-N 412.560 1.300 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c(F)c1 610426230 KEMVFEMQYBSTFU-QGZVFWFLSA-N 408.389 1.244 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@H]1CCCO1 611078429 CBWYJHZMDOQYLF-CYBMUJFWSA-N 421.881 1.130 30 10 HDEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccncc1 613371127 SUOMIHQLXKVJGP-ZDUSSCGKSA-N 400.508 1.744 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCc2ccc(C#N)c(Cl)c2)cn1 619836796 FVPZQSGPNFLCBA-UHFFFAOYSA-N 417.853 1.961 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(C#CCO)cc1 707346387 IAAMETNWZJCJHD-UHFFFAOYSA-N 412.467 1.136 30 10 HDEE C#CCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H]1CCS(=O)(=O)C1 731213710 PBUONBLJIZMWAI-DYESRHJHSA-N 420.531 1.393 30 10 HDEE CCN1CCN(Cc2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732674545 ODQPPXUJGNETQP-JOCHJYFZSA-N 410.566 1.706 30 10 HDEE CN1CCC(N(C)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 737199856 XBIBMQFQVJIJAF-OAQYLSRUSA-N 424.549 1.354 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H]([C@H]2CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 748216056 STQSVLPJMCLXCN-PMPSAXMXSA-N 405.520 1.779 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2cnn[nH]2)cc1 754892540 ZXXVTZSAHQEUCY-CJLVFECKSA-N 405.484 1.719 30 10 HDEE C#CCN(C(=O)NCCSCc1ccnc(Cl)c1)[C@H]1CCS(=O)(=O)C1 758689518 LAMKAQWQTZSYHX-AWEZNQCLSA-N 401.941 1.800 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@]4(CCc5ccccc5C4)C3=O)CC2)n1 760549715 DMIBGSNVQOBTST-QHCPKHFHSA-N 416.485 1.512 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1cccc(C#N)c1)CC2 760963342 IRVKUBGNASTXPW-UHFFFAOYSA-N 415.471 1.439 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 772740985 LVPFUGBZMHAZNG-RAJOGRCSSA-N 418.494 1.903 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 774195327 MSUSCYAHZKGQBB-ZBFHGGJFSA-N 411.474 1.623 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 774690410 SFYKDXIHDSQALW-ROUUACIJSA-N 414.462 1.322 30 10 HDEE N#CC1(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CCN(Cc2ccccc2)CC1 778446717 DPDGLLJJCOJCSY-UHFFFAOYSA-N 416.478 1.761 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)CCCC1 779319044 ZHHMTVMULSRZJG-MRXNPFEDSA-N 405.476 1.948 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cc(Br)c1 780712944 AVMMOZXWNKNQTL-CYBMUJFWSA-N 406.323 1.569 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)c1cc[nH]n1 789963070 HAYFBEFFXHUURY-PBHICJAKSA-N 400.435 1.682 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC([C@H]3CCOC3)C2)cc1 791781482 GHYPINWNXYEOGK-IKRFMFEDSA-N 406.508 2.000 30 10 HDEE C[C@@H](C(=O)O[C@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 798740000 HRPFJGIIVYIPAA-GWCFXTLKSA-N 404.224 1.822 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 810304266 JDUGWQAGYVYFMR-GFCCVEGCSA-N 415.418 1.084 30 10 HDEE CS(=O)(=O)c1ccccc1COC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 810938830 CJRMMKKEVHIQBA-UHFFFAOYSA-N 422.484 1.639 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2CC)n1 812025752 CLCBCRVQJDXZIZ-UHFFFAOYSA-N 408.466 1.428 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2ccccc2c(=O)n1CC#N 836492359 HADMYHCKLWWOTL-ZDUSSCGKSA-N 409.471 1.519 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](c2cnn(C)c2)C1 849571741 HYJAWUGSHIWPNU-LEUOFYLZSA-N 416.526 1.331 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1129189174 OSDNJTZREWLZMY-LSDHHAIUSA-N 401.529 1.857 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(Cl)cccc2OC(F)F)C1=O 1132354535 SBCRLJLSABQBMG-UHFFFAOYSA-N 401.753 1.534 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1141594009 QQGHAZUYRHPVBW-YCRPNKLZSA-N 408.454 1.386 30 10 HDEE COc1c(O)nc(O)nc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1143402054 FWEHNFYRNRQUFK-UHFFFAOYSA-N 406.402 1.279 30 10 HDEE N#Cc1cn(CCNC(=O)c2nccnc2SCc2ccccc2)c(=O)nc1O 1148392917 NPZRWDVSEBTAMP-UHFFFAOYSA-N 408.443 1.333 30 10 HDEE Cc1nc(CC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1156303496 DINZLSLGCRIMGS-UHFFFAOYSA-N 406.439 1.909 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1157544138 CDHBSRRKEOTFDP-OAHLLOKOSA-N 410.467 1.697 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)C2 1158224330 PFJFIJKCDRBZIJ-WMLDXEAASA-N 411.405 1.898 30 10 HDEE CN1C[C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H](c2ccccc2)C1 1163014221 MPIXRLSJSRJHHB-RTWAWAEBSA-N 411.527 1.935 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3C[C@@H](N4CCOCC4)C3(C)C)CC2)o1 1164314727 XKZWWLBTLHKUDW-ZWKOTPCHSA-N 401.511 1.687 30 10 HDEE N#Cc1cc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)co1 1168365357 QDZRMSJEFJMGGP-UHFFFAOYSA-N 407.474 1.847 30 10 HDEE C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1174576824 AMXPMEXODLEKIZ-LJQANCHMSA-N 421.906 1.600 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1189756013 SANUYFSHIWPUPL-WMZOPIPTSA-N 416.565 1.776 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 1192715343 OVKNAKHYUPMFEV-UHFFFAOYSA-N 420.531 1.825 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2CC#CCN1C(=O)c2ccccc2C1=O 1197086994 RMEQHOSQZADOFC-UHFFFAOYSA-N 423.494 1.599 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1221515448 KOJDQOGXVXVCDL-KRWDZBQOSA-N 407.536 1.523 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCC2 1233852152 KDOHLAHACGQCDJ-NUEKZKHPSA-N 415.494 1.821 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286336954 RMXOIYHESGVHPZ-MOPGFXCFSA-N 414.554 1.361 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286371737 CFAQGSARCLQJLF-WOJBJXKFSA-N 422.533 1.681 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1286439808 DOBBTKPAZPFVLO-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=C)C)CC1 1286488152 LOIJFPOQWSNHEV-NRFANRHFSA-N 401.511 1.472 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286688283 PTCGDVFOZGTPTP-DNVCBOLYSA-N 407.540 1.395 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1286722788 SSSIQIGBDAQOJM-OAQYLSRUSA-N 412.494 1.602 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cnccn3)CC2)nnc1C(C)(C)C 1286824641 GEZNPNDMMSMUAF-UHFFFAOYSA-N 419.555 1.293 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1286966646 VCJUKBHSZARLMP-CYBMUJFWSA-N 403.512 1.359 30 10 HDEE CCN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1295074658 ZDCGNZGNZFFXSU-UHFFFAOYSA-N 424.553 1.938 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nccnc3Cl)CC2)cc1 1297676208 GVLQGJVILVEJFT-UHFFFAOYSA-N 419.894 1.719 30 10 HDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1298037371 HIEVZZSECCHRJH-VQTJNVASSA-N 421.505 1.798 30 10 HDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(N)(=O)=O)CC1 1299753836 HQBZYSVPIHNDSL-GFCCVEGCSA-N 418.441 1.862 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1300402521 ZENFUCJLHIRYHD-KRWDZBQOSA-N 416.478 1.129 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCNC(=O)Cc1cccc(F)c1 1300467009 CEDNJRUCTFVNON-UHFFFAOYSA-N 406.465 1.831 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1300500790 DKTWZAYKEUJZRJ-KRWDZBQOSA-N 407.584 1.445 30 10 HDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1301029049 FOTJHLAVPUOJHG-HNNXBMFYSA-N 405.842 1.378 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1301248876 LHGLHHNSEJXNRT-UHFFFAOYSA-N 413.526 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(CCOC)CC1 1301490547 VGAYADDPDYHPSD-UHFFFAOYSA-N 412.538 1.578 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCC2)C1 1301566517 OPNCSTHAPRNMGN-QGZVFWFLSA-N 403.527 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301568899 LQRQTBFTITUNOG-UHFFFAOYSA-N 410.569 1.274 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCn1cncn1 1302087040 AYJXJVFDLACIOS-UHFFFAOYSA-N 406.498 1.461 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1305176550 SPSWOPKBLYNCNL-IHCANNCPSA-N 414.510 1.791 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1305205028 FIHLEDAXNFDONT-HNNXBMFYSA-N 410.478 1.480 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1305581982 OIMQBZMRKNKZIG-RMYFCYLKSA-N 410.482 1.744 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)n1 1307734801 AXUQWIOOGTXMPZ-LEWJYISDSA-N 412.490 1.347 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1314023460 UWOJAJNNMYZUSX-UHFFFAOYSA-N 410.438 1.470 30 10 HDEE CCOC1CC(O)(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1 1314262683 GDSJDZLTODQBJI-WBTXTPOCSA-N 415.469 1.667 30 10 HDEE CCOc1ccc(NC(=O)[C@]2(C#N)CCCOC2)cc1S(=O)(=O)N1CCOCC1 1351486430 XSUPSAKUKIABPD-IBGZPJMESA-N 423.491 1.365 30 10 HDEE N#Cc1ccc(F)c(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 1354260915 DDOIQJMDPZVIOA-UHFFFAOYSA-N 409.377 1.830 30 10 HDEE C#CCN(C(=O)CC1OCCCO1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358759703 YAVQALJKNNHFPY-ATOXUGOLSA-N 402.491 1.016 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1358890005 JYCNJRRWAXDVPI-FUHWJXTLSA-N 415.563 1.947 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1358927431 YJCWHECNTQYKBF-INIZCTEOSA-N 417.539 1.256 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1358993958 AKYNVOWWLYVFNQ-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCN1CCCO[C@H](C)C1 1359021972 IKZXPFHLPCDOGU-LJQANCHMSA-N 414.554 1.871 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@H](F)C2)CC1 1359043597 AJAJVKNWZNUDCR-QAPCUYQASA-N 413.501 1.783 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359059314 JJKIGAFUPHAPPK-OAHLLOKOSA-N 402.524 1.070 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1359113480 JUSWKJCVKSOWDA-KRWDZBQOSA-N 423.539 1.963 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1359126032 CGFPPBGEFZGXNV-ZDUSSCGKSA-N 407.487 1.717 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359126161 HIURIDAUSAJEJI-JKSUJKDBSA-N 404.515 1.066 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359133781 ZCURBBJTFAVLQB-CEXWTWQISA-N 407.559 1.920 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)NC 1359281743 INDIUYJCCSLMJU-KRWDZBQOSA-N 401.467 1.566 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1359297753 ARFNLZIHPGHZPH-OAHLLOKOSA-N 421.505 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC)[C@H](C)C1 1359333746 IKWRPILSMCVOGQ-QGZVFWFLSA-N 418.567 1.395 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1436054138 PXTNLTCWTNXUAO-WMLDXEAASA-N 400.866 1.810 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)cc2S1(=O)=O 1436357149 XWYFDVNAORZMHU-UHFFFAOYSA-N 403.464 1.818 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)Cc3ccccc3CC#N)nn2)C1 1439143679 BDDXHXJKYNZMLP-UHFFFAOYSA-N 410.478 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1449358836 PXMPGQLUVFJZAB-HOTGVXAUSA-N 420.514 1.985 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)s1 1450319534 YBPHVQKLQVROKJ-GOEBONIOSA-N 424.548 1.525 30 10 HDEE CCOC(Cn1ncc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1N)OCC 1452947770 NICIQNYBKMWKAP-KRWDZBQOSA-N 401.467 1.542 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1452948367 SOCFCKWYMNRMPQ-HKBOAZHASA-N 423.469 1.822 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCC1(C#N)CCOCC1 1457110060 NFNQDYBRZSBRJX-RQJABVFESA-N 413.396 1.409 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C[C@H](O)CC2(O)CCC(C(=O)OCC)CC2)c1 1459310340 HSLJLSZRLXRFDT-WRSRUZKNSA-N 416.518 1.774 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)CC1 1459462265 FXEZCPRXONDQRU-UHFFFAOYSA-N 424.469 1.750 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1461944058 HNPWQKATWOOLED-MRXNPFEDSA-N 424.519 1.259 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462354340 DZJMOAONWOESLX-QUCCMNQESA-N 413.437 1.919 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1463730231 PAPHNDIUXVSOLB-DLBZAZTESA-N 400.541 1.985 30 10 HDEE N#Cc1cc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)ccc1N1CCC(O)CC1 1466018330 XHGLRMHCNGVTQR-QHCPKHFHSA-N 404.470 1.916 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1467451131 GJKGQSQOSBDRJK-IERDGZPVSA-N 407.511 1.437 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 1468992009 FIKYJHHZVMRSFT-DOTOQJQBSA-N 418.519 1.229 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)ccc1F 1469487340 WOKKNMHSXCHZTH-MRXNPFEDSA-N 424.498 1.513 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1470728954 FBXUUUIEKHMDRI-UHFFFAOYSA-N 422.404 1.506 30 10 HDEE COC(=O)c1nc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Cl 1470753431 OKUGUCBXGGFLSI-UHFFFAOYSA-N 414.853 1.820 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nc(C3CCOCC3)n[nH]2)c1 1470989494 AGGACXIQZAKKHU-UHFFFAOYSA-N 402.476 1.426 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)OC 1471123672 GULMSSKYUCXICF-DOTOQJQBSA-N 410.492 1.382 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(C(F)(F)F)cn2)c1=O 1473069402 RTFBTBNJIYJDPM-UHFFFAOYSA-N 410.352 1.685 30 10 HDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1500895310 HKIZUIWRCAWCBV-LBPRGKRZSA-N 402.480 1.125 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)CCO1 1505325907 UTLIXPHXRLXTKW-AWEZNQCLSA-N 401.858 1.226 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1507540756 CZQXHVHMTCWGDD-CYBMUJFWSA-N 423.502 1.270 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507572570 OMWIVVXSEUAOIX-HNNXBMFYSA-N 414.514 1.404 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1507652307 FLRVSGDEMIRICG-SFHVURJKSA-N 419.551 1.264 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1507669311 KKWRNRQIMWQZCC-QGZVFWFLSA-N 415.519 1.491 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1ccc(C(N)=O)nc1 1507671956 SYECLIYNLXMMPS-UHFFFAOYSA-N 404.499 1.936 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(O)c2)CC1 1507718721 HKZFGFINBUGHPR-JOCHJYFZSA-N 411.506 1.439 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507728966 CICGVDHNCONWKU-KRWDZBQOSA-N 407.584 1.589 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[S@@](=O)CC)CC1 1507739841 VJMDCNRIRILHJO-JWRCQZCYSA-N 421.567 1.254 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507844906 RYHXZMAHGXYRIQ-JKSUJKDBSA-N 404.471 1.644 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCCNS(C)(=O)=O)CC1 1507889757 RTIRIJZQRNMTMW-UHFFFAOYSA-N 410.569 1.730 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1507953991 JTRXIYJHDRFSAD-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1Cc1nnn(C)n1 1508000284 VZQACVRPTOOBOR-SFHVURJKSA-N 419.493 1.808 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1508007225 WGPBUUHXNBEQFV-OAHLLOKOSA-N 423.564 1.918 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1508037620 NKOXCGBNUQUZSV-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(Cc1ccnn1C)C1CC1 1508137301 MEVPQQPXFNJNSH-UHFFFAOYSA-N 415.523 1.777 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)CN(C)C1=O 1509001245 JRRYGLYKRCLLGH-YCRPNKLZSA-N 423.525 1.257 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1509956442 WHXAWRXHHWWCBD-CQSZACIVSA-N 416.482 1.676 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1518755138 OIEYZEFXLHKXAC-GOSISDBHSA-N 422.468 1.918 30 10 HDEE N#Cc1ccc2nc(NC(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)[nH]c2c1 1530627190 UHRQCMUGDJOGOI-NSHDSACASA-N 401.473 1.974 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)[C@@H](C#N)C1 1532608167 UNWIKDPDHFBVIE-AWEZNQCLSA-N 424.498 1.053 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)Cc2cc(C#N)cs2)c1 1536583476 PYDGKVJEGBQBQA-UHFFFAOYSA-N 422.532 1.471 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C#CC(C)(C)C)CC2)cc1[N+](=O)[O-] 1538556517 JAXWMBQAWMEDAP-UHFFFAOYSA-N 409.464 1.486 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCN3C3CCOCC3)CC2=O)cc1Cl 1538587595 WPQBUEORMFFOOP-CRAIPNDOSA-N 416.909 1.934 30 10 HDEE C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1538849984 OLGIWESEKJXERP-LBPRGKRZSA-N 402.432 1.553 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(C)C)CC1 1538988635 KSCDEMROCNMUDI-CQSZACIVSA-N 402.923 1.255 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1538993332 JDSPZDVBXJSVGI-KBPBESRZSA-N 402.476 1.566 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539005083 PAIYYJHZYVNKCF-LXZKKBNFSA-N 412.469 1.170 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCc1n[nH]c(C)n1 1539278668 HIPDUGTXLYUPJQ-UHFFFAOYSA-N 405.462 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2OCCC2(C)C)CC1 1539430792 OEOMHSIRJDEKDO-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCC(=O)N(C)C)CC1 1539473778 AVEDXSOUXAJRIG-UHFFFAOYSA-N 422.533 1.779 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539490724 ZXJZHLHRENGTSR-CDMIOBSGSA-N 417.554 1.893 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540036739 TVAKYFPFARJVOU-IBGZPJMESA-N 423.521 1.968 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1540049130 HHYKHFZSNOAYCB-OAQYLSRUSA-N 405.543 1.806 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1540066231 SETWBNIYKXQDGU-INIZCTEOSA-N 408.514 1.802 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CN3CCOCC3)CC2)c1 1544208031 GHCIOGDZJHPLSZ-UHFFFAOYSA-N 409.483 1.307 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1 1544670982 QBJPQWVARRCWBF-SFHVURJKSA-N 416.522 1.910 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C1CCOCC1 1557576715 BLRJHNKBTGNGIB-JZYAIQKZSA-N 412.408 1.517 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OCC)CCOCC2)c1 1557663067 MRNYUXJTGKUVPG-UHFFFAOYSA-N 407.488 1.716 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1557664592 HWUYSOOSADKHTO-IEHZMIBZSA-N 418.494 1.809 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)c2cccc(C)c2)c1 1558054030 NKUDYCGKSCISAP-IBGZPJMESA-N 414.483 1.941 30 10 HDEE Cc1c(O)nc(CCN(C)C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)nc1O 1558532335 MFUBAMGLIGAFBB-UHFFFAOYSA-N 418.494 1.848 30 10 HDEE COc1cn(C)nc1[C@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558536641 MUOGGQBMXIHYLT-NEPJUHHUSA-N 405.480 1.123 30 10 HDEE Cc1ccc(C(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 1558669895 SXIMATHAZGXBFO-JSGCOSHPSA-N 405.398 1.494 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)C1 1569676247 QIMMMEWJLOFUPI-CKEIUWERSA-N 409.508 1.463 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cccc(Oc3ccc(F)cc3)n2)c(=O)nc1O 1583723197 NYAVBABSTAIFQQ-UHFFFAOYSA-N 409.377 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1587550218 KUWFSGUBMYEQNQ-MRXNPFEDSA-N 424.505 1.411 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC2(O)CCOCC2)c1 1587696854 BNKHOQVHUOVPIU-UHFFFAOYSA-N 423.517 1.828 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](C)C1 1587783668 VBIJYOLJOLIFAW-SFHVURJKSA-N 402.543 1.361 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1587830990 GKDNUOLEKACXJY-OAHLLOKOSA-N 405.466 1.001 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1 1587965277 ZHCAUKIJBMDHPM-UHFFFAOYSA-N 404.452 1.077 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2cccc(F)c2C)[C@H]2CCO[C@@H]2C)C1=O 1587983585 VSWPDDWJSRHGIR-CJNGLKHVSA-N 403.410 1.621 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCN(C)S(=O)(=O)CC 1588214228 MXDYHYCSVMZOCE-UHFFFAOYSA-N 402.524 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nnn(C)n1 1588219205 OIFYCDZDEHVJJF-UHFFFAOYSA-N 413.445 1.635 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1588266556 RUMRTVRTDROHDM-OAHLLOKOSA-N 404.540 1.462 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCOC1 1588574892 VPLMDNAQDCVGPY-HRAATJIYSA-N 418.469 1.795 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1593884667 JCLNVQMAWQJUBH-AWEZNQCLSA-N 401.920 1.520 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)COCC(F)(F)F)s1 1598043137 LMRVRWAXZDOHAE-JTQLQIEISA-N 400.444 1.839 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1611723356 AZGCPZGERDEMIW-DOXZYTNZSA-N 403.508 1.870 30 10 HDEE Cc1cc(Cl)cc(C#N)c1OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 1613875658 GYGXUSGPBAIRDS-UHFFFAOYSA-N 406.914 1.958 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1617727976 CANRVGAGTVAKOP-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE CO[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1618938894 GLVZVNVRXMWFBN-KGLIPLIRSA-N 405.528 1.869 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)c1 1622487016 AZZBDDAZGXXGGK-UHFFFAOYSA-N 409.464 1.233 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)/C=C/c3ccc4c(c3)NC(=O)CO4)C2=O)cc1 1626695343 ULLZLTPGWPGJGV-IWHGQQBYSA-N 416.437 1.820 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@@H](C)CC(=O)OC)CC3)n[nH]2)c1C 1629615991 OQRBRMSRZSHGHD-AWEZNQCLSA-N 414.510 1.785 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)s1 1630288927 MBEYVLJTULISIJ-UHFFFAOYSA-N 400.279 1.960 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(Sc3ccccc3)CC2)CC1 1631146045 LMVUJOQNRCGLOQ-UHFFFAOYSA-N 408.549 1.106 30 10 HDEE COC(=O)CC1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1632204755 MNNCCWAVMMMVTQ-UHFFFAOYSA-N 407.492 1.497 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c(Br)nc2n1CCOC2 1632218926 OGMLCVJGHSMZDO-CYBMUJFWSA-N 405.252 1.853 30 10 HDEE CC(C)OC(=O)C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1638610155 HQVCCMIFINUQOO-UHFFFAOYSA-N 421.519 1.696 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)n2)c1 1638624610 AVCUQXMRGXAQBN-UHFFFAOYSA-N 418.335 1.499 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)ccc1Cl 1644115603 FAISHGGYKLFNNC-PMACEKPBSA-N 402.882 1.880 30 10 HDEE C[C@@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@@]1(C)C(=O)NC2=O 1644116581 NDFCCFFIRJSFGW-OALUTQOASA-N 407.392 1.158 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(F)cc3)n2)CC1 1644281553 FZAGONDDFOCCIO-UHFFFAOYSA-N 408.480 1.175 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2Cc2ccc(OCC#N)cc2)C1 1647929427 DLNIYAUJNBLVFL-UHFFFAOYSA-N 400.479 1.900 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1650972098 IMHDPBVJWKHHRU-CABCVRRESA-N 416.927 1.854 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nnnn4C)CC3)ccc2c1=O 1654798453 BAGDHICXHKRHKB-UHFFFAOYSA-N 411.491 1.415 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(N4CCCC4=O)cn3)CC2)c1C#N 1660653726 AFKGOSDTSHZGMX-UHFFFAOYSA-N 408.466 1.476 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](O)C1 1665084068 HTESTWVBGMUDSH-HUUCEWRRSA-N 415.899 1.860 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)N=[S@](C)(=O)N(C)C 1668595305 KWWGSPHGUXFVPL-DXPJPUQTSA-N 417.553 1.468 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1668799201 DCWXZEDNPREQKP-PXNSSMCTSA-N 415.538 1.609 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Cc2ccccc2)CC1 1673036230 HZGFHZYDUFDLDC-UHFFFAOYSA-N 412.515 1.895 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)NCC#CCN(C)C)C2=O)ccc1Br 1679911568 HJGUJIYQMAQUKJ-INIZCTEOSA-N 407.312 1.727 30 10 HDEE CS(=O)(=O)N1CCCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683532745 GBJGTGNKGIAZLS-UHFFFAOYSA-N 419.551 1.200 30 10 HDEE C[C@@H](C[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1683573078 RTUXUDNPOXUUIT-NUXNZHGMSA-N 414.528 1.258 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1684030325 VRTSNPFTOLGTFL-CVEARBPZSA-N 413.540 1.465 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cc(CO)nn1 1689856176 KYDGQOWLJVDBBC-MRXNPFEDSA-N 419.493 1.149 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1689982239 JYYPKHSDLGBJHJ-FXAWDEMLSA-N 422.551 1.522 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC)CC1 1690244572 ZEZYXBYNOMSNDC-SJLPKXTDSA-N 413.526 1.622 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690252457 DZNVUXJORJFIMV-HQRMLTQVSA-N 400.527 1.972 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690485551 WOPQOJAHGMYQSO-HOTGVXAUSA-N 404.540 1.874 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690643514 DJIQRGOWTZJIOA-MRXNPFEDSA-N 409.556 1.449 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](COC)C1 1690678116 LMPRTKPHZTVZOA-AOIWGVFYSA-N 421.542 1.557 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1690680027 GXCWRRRLMSJIKJ-JTSKRJEESA-N 424.505 1.544 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)C1 1690690460 ZCYCLVCUKFKVCL-FXAWDEMLSA-N 415.450 1.786 30 10 HDEE Cc1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693513267 MGYWRLQWIKPJJQ-ZCXUNETKSA-N 400.483 1.652 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1696631113 GBRJLNWFYILJTC-MAUKXSAKSA-N 410.544 1.541 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705532958 STTPRALJVOZHCY-MRXNPFEDSA-N 407.474 1.928 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1705574298 AARQVWVMFBRAJL-NHCUHLMSSA-N 417.579 1.440 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1705624741 NPZJRBMMYFDXSX-UHFFFAOYSA-N 418.461 1.114 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1705934159 CQNJMZMYVJOKHL-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](COC)C1 1705937037 GROUHGNLLDTGLM-KRWDZBQOSA-N 405.524 1.337 30 10 HDEE Cc1nnc(N2CCC(Cn3cccn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707883913 SPCJLWBQEPQZSJ-HNENSFHCSA-N 410.482 1.226 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CC(C)(C)O 1708153010 KKFUNLOKTFTRMA-GDBMZVCRSA-N 412.498 1.277 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCOCCCO 1711072818 KAAZOQPRLXXPQH-UHFFFAOYSA-N 412.494 1.421 30 10 HDEE COCC[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712352877 RXAXDABPFVRYQH-ZBBYCGENSA-N 416.526 1.866 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2nnc(CC)s2)CC1 1716807933 CGFLAZFPYSCEBZ-SUFIHLRJSA-N 400.548 1.950 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722360155 ZHYKDBQRLOBRKE-CQSZACIVSA-N 422.580 1.605 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(C)C2CC2)CC1 1722431535 MIVOSXMPCBTMDI-QGZVFWFLSA-N 422.537 1.163 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1722432406 SFIJKKPLNQDIPZ-UHFFFAOYSA-N 412.416 1.959 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1 1722452148 MDSNUUYDEUQKMO-OAHLLOKOSA-N 419.555 1.756 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1722475011 RKUVVQFJFJGROT-TVKQPGBESA-N 421.567 1.820 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1722672989 DWAJITXPDFRKJF-GOSISDBHSA-N 410.522 1.989 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722686137 RHSDKVKMKGPVJA-MRXNPFEDSA-N 416.432 1.806 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 1722696438 NNBAKWURFALOSL-UHFFFAOYSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(C)c1 1722697008 GQLNMGYLAVNLLP-MRXNPFEDSA-N 412.494 1.485 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1722701629 XYJPDFLXGCCGHS-MRXNPFEDSA-N 418.542 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cnccn2)CC1 1722726432 FHKKWJGTGYMAFM-UHFFFAOYSA-N 417.539 1.263 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1723783262 CSGQLCQECRTLME-OAHLLOKOSA-N 423.521 1.823 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2nc(C)no2)CCOC1 1728794046 DJXPTZCCEQAAQH-MOPGFXCFSA-N 419.461 1.696 30 10 HDEE C=CCC(CC=C)C(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1737947568 PAZULOMLJMLYCT-TXVWBRJLSA-N 401.551 1.781 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1738217673 FTPLZAPFECIKGV-NIKDIJRDSA-N 403.523 1.424 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCc1nc(C)no1 1740288635 UJUQMLBNFSLNPH-WDHIOAMHSA-N 402.495 1.930 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCc1cccc(C(=O)NC)c1 1740635586 NIZLSRUNQCSACW-UHFFFAOYSA-N 400.486 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC(=O)N(CCOC)C1 1740655794 JPUFIGCVOHUJOQ-OALUTQOASA-N 413.522 1.478 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C2CC2)C1=O 1740675891 KXQWRAXIVTZWTB-HZUJVAHNSA-N 401.511 1.473 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1([S@](C)=O)CC1 1740726346 YHTIPTABSPAGEY-SHCPDRCTSA-N 406.552 1.833 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740782238 ILVSSIRGEWDRII-ZWKOTPCHSA-N 402.543 1.491 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740888819 WQQLRXXDZRCVGA-KZNAEPCWSA-N 424.567 1.778 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748811376 FQPJMFUBBYWJKA-AEFFLSMTSA-N 414.535 1.662 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1749033985 TXURJFVUXOCUCQ-MRXNPFEDSA-N 404.540 1.043 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749262300 MBINSDJAOVHADJ-WBVHZDCISA-N 405.934 1.978 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@@H](CC)C1 1749650262 PLDRZVRMAGRNSZ-HNNXBMFYSA-N 408.572 1.831 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749719481 WFSIGZXDVUJNLV-IXDOHACOSA-N 410.540 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1c1cnn(C)c1 1749741204 SSRFOTPEUJEJLB-DLBZAZTESA-N 420.539 1.805 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1750059808 BWBPUOINHDHMOH-UONOGXRCSA-N 424.502 1.702 30 10 HDEE COCCOCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1750088363 JVMKTGKMEJMEHB-QGZVFWFLSA-N 400.483 1.821 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCO1 1751038635 NLJMQJJWHDFXNW-YJBOKZPZSA-N 401.467 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760098052 NUBMIEVZDKRTDO-GJZGRUSLSA-N 420.539 1.577 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760155884 NDKUBHVXQHVZSC-UHFFFAOYSA-N 418.505 1.803 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760157862 FMXDVFIADRCTDV-KRWDZBQOSA-N 413.503 1.765 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1760224482 MAYDIIYDTOYPIA-UHFFFAOYSA-N 415.519 1.425 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN1CCOCC1(C)C 1760249170 IRMUIRANOGUKOL-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2snnc2C)CC1 1760255019 ALNZUKCVZUNAQA-UHFFFAOYSA-N 424.490 1.817 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)CC1 1760259634 FAMHDTTYLSIWKP-GOSISDBHSA-N 424.505 1.050 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(C)CCCO2)CC1 1760267925 GUXQCZIZYQCKAN-JOCHJYFZSA-N 408.506 1.875 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cscn2)CC1 1760282088 VXHAGBPHPHZRHU-MRXNPFEDSA-N 418.592 1.927 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1760322876 YPJMIBAFIDTIRK-KSZLIROESA-N 418.542 1.615 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760345904 YQTROBLAJHIRMI-SXLOBPIMSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760529122 XPEAQWNDLCAONM-CSODHUTKSA-N 421.542 1.625 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760543365 RVGQKDNXERXXKJ-RDJZCZTQSA-N 409.556 1.608 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)CCO1 1763513168 IBSAJSNCMLLOQO-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1766157545 FDGJZTOGWJXQDV-TXPKVOOTSA-N 424.546 1.497 30 10 HDEE O=C(NCC#CCN1CCCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1850043590 ZTBSPRBSFBBMBU-UHFFFAOYSA-N 421.538 1.832 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N(C)c1ncccc1C#N 1851314961 IGDOOJKBSSHFIR-INIZCTEOSA-N 401.492 1.722 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2[nH]nnc2-c2ccc(F)cc2)CC1 1852025361 ILXFYXKLABBGGY-UHFFFAOYSA-N 421.436 1.856 30 10 HDEE CC(=O)Nc1cnccc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852117352 ABKCDVFDBOSBCV-LJQANCHMSA-N 424.457 1.848 30 10 HDEE CCN1c2ccc(C)cc2C(=O)NC12CCN(CCn1cc(C#N)c(O)nc1=O)CC2 1852542410 JFTRWCDCORMNRE-UHFFFAOYSA-N 422.489 1.191 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)CCn2ccnc2CC)C1=O)[C@@H]1CCN(C)C1=O 1854249352 UTQQMEIKULNQEI-ZWKOTPCHSA-N 415.538 1.462 30 10 HDEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854410392 NDUXJDIOAPUWGV-UHFFFAOYSA-N 403.504 1.765 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)CC[C@H]3CCCO3)C2=O)C1 1854800038 ZOHLDVAOHWKWKS-VQIMIIECSA-N 412.490 1.883 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCCc4cncc(OC)c43)C2=O)CC1=O 1854816934 POQLWGHCERVDET-IAGOWNOFSA-N 412.490 1.395 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1855597837 KYJGOURWRKNGLM-QZTJIDSGSA-N 409.490 1.720 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3ccc4cccnc4n3)C(=O)C2)cc1 1856369344 WGMDHZYFIBJMCA-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)CC1=O 1856400486 LXBSFEGLCXPCCP-DLBZAZTESA-N 420.535 1.118 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C1 1856412644 UVWBCTNWWSFVPR-INIZCTEOSA-N 418.519 1.448 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)C(=O)C2)C1 1856840304 VIZCRFOHSYIEIG-QZTJIDSGSA-N 414.506 1.184 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1856865858 BZGXLZJRBOMQPC-INIZCTEOSA-N 405.520 1.025 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)c2ccccc21 1856964973 JUJGNVZBADKHOH-MRXNPFEDSA-N 410.474 1.697 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C2CC3(COC3)C2)C1=O 1857037461 AWZKWKWBJQQFGA-ZDUSSCGKSA-N 403.460 1.282 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(CCC)on2)C1)[C@@H]1CCN(C)C1=O 1857069368 XXBJAEDNEOLMDH-MAUKXSAKSA-N 402.495 1.725 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1857489195 BLYSBJGMZCUTLO-HOTGVXAUSA-N 424.523 1.080 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)cc1 1858374493 GGUGOJRVJPCQFT-OAHLLOKOSA-N 402.410 1.641 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccc(Br)cc2)cc1 1860734322 UWVFQDFIJJLIKD-BJMVGYQFSA-N 423.288 1.995 30 10 HDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2OC)C1=O 1863425592 QBNSLHLKNSTCMD-UHFFFAOYSA-N 413.455 1.721 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1CCCO 1870502007 ZYRPVIBRSBIRKC-UHFFFAOYSA-N 412.490 1.817 30 10 HDEE COc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874337867 KXTNINUOLMMUDN-SCDDIDHTSA-N 416.507 1.471 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC(Cn2nc(-c3cccnc3)ccc2=O)C1 1890153404 QOOUWJIYOSXEGV-UHFFFAOYSA-N 407.455 1.498 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1891212653 UYWRTSYHXCASER-LBPRGKRZSA-N 409.471 1.325 30 10 HDEE CC(C)(C)OC(=O)N1CC(OC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)C1 1892030199 MHYIVKRXHZFFPJ-ZDUSSCGKSA-N 403.439 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC(F)(F)C1 1965778299 XMCITTBQLIIRPC-UHFFFAOYSA-N 402.423 1.830 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1986367888 ATCPWDPEODBBAD-MCIONIFRSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2010395336 IJKPMTLVXOOURV-YWVIFJGQSA-N 423.319 1.178 30 10 HDEE COC(=O)NS(=O)(=O)N(C)Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157039583 RTVPGIFVCAHGAX-UHFFFAOYSA-N 404.319 1.388 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)C(C)(C)S(C)(=O)=O 2157040617 BTBRACUPTOUBPN-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CCS(=O)(=O)NC1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2172716182 VCKRYDACRYKUSN-UHFFFAOYSA-N 401.725 1.162 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 2174780535 VTEBSTVVKDUCLH-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174788476 FTVGWBMMCOXJAD-BYNSBNAKSA-N 402.517 1.127 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2nc(NS(=O)(=O)c3ccc(C#N)s3)n[nH]2)C1 2184133158 XQVYSRPAJBVQBK-UHFFFAOYSA-N 410.481 1.873 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(N)cc2C#N)s[nH]1 2187513766 JCKSWAYUGXADID-UHFFFAOYSA-N 410.481 1.239 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825737 IZLGZVVUDSKYMB-FKIZINRSSA-N 418.303 1.448 30 10 HDEE CC(C)(C)OC(=O)NCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2248031617 DHHSSMTWKOAXHX-UHFFFAOYSA-N 422.287 1.878 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255832902 UADOLOIURJKGGC-LPHOPBHVSA-N 424.354 1.970 30 10 HDEE CN(Cc1cnsn1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267472405 PQKFJKSDVUURKY-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE Cn1ncc(C(=O)N2CCC(C3(C)OCCO3)CC2)c1B1OC(C)(C)C(C)(C)O1 2281812176 PEPVNGJXOBRTDJ-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(S(C)(=O)=O)C1 2281982601 VEWFMNLACJEMGQ-UHFFFAOYSA-N 400.331 1.056 30 10 HDEE COc1cc(C(=O)NCC2CC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2281986419 QLSLPZDTSGLDSS-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE CC1(C(N)=O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282310524 VKSUOTJDYYBKKX-UHFFFAOYSA-N 420.749 1.197 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1O 2282321285 VJRWXKQNYIADMQ-OLZOCXBDSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@H]2C(F)(F)F)OC1(C)C 2282414855 YNIKVJYHZNOXCW-DTWKUNHWSA-N 412.264 1.813 30 10 HDEE COc1nscc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282417340 BKWGSEQXHKOSPB-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]1(C)CCS(=O)(=O)C1 2282585684 OMWHJVUMLRNQOR-INIZCTEOSA-N 400.331 1.058 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C)CCN(C)C1 2282830614 XBMHPCBCFKACQW-QGZVFWFLSA-N 400.375 1.728 30 10 HDEE CN(C[C@H]1COCCO1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850713 SCQSCHWUYHTUQX-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400513 WQKDRMXBMMFHFL-INIZCTEOSA-N 403.331 1.825 30 10 HDEE CC1(CC(=O)O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284409533 KGMDELXBGARMCQ-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C=CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284409921 OYHRHHNVHUVBCU-LLVKDONJSA-N 401.315 1.663 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415124 VXJNDABWHXICIE-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE CCC1(CS(=O)(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2287114839 SCFPXZRTFFIFTP-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1C[C@@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1 2288590865 PQZOLRSODVMYIA-CABCVRRESA-N 401.529 1.822 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(N)=O)Cc1ccccc1 2300217338 NVXYYBBGUKSICL-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCCOC)NC(=O)OC(C)(C)C 2367789224 QZPAPZXGGKKYLM-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1 2367792244 MTFGISFBMNZISG-ARFHVFGLSA-N 400.541 1.332 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1C(C)(C)C 20839454 MHAJOKZJCLMHMW-UHFFFAOYSA-N 419.555 1.890 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)[C@@H](C)Oc3ccc(N)nc32)nc1C 96496078 YEAFLEYTYRWAGR-SNVBAGLBSA-N 417.447 1.524 30 10 HDEE C[C@H](O)[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 253382823 JJSXEOJUNBHJSW-SSERFMASSA-N 419.437 1.208 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]1(COC(C)=O)[C@@H](CO)C(C)(C)CC[C@H]1OC3=O 257500149 OCELUFZNLBUKGF-JPCDUGAESA-N 406.475 1.402 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)ccc1C(F)(F)F 302168671 KSKOVTVIKHCHNV-UHFFFAOYSA-N 404.414 1.276 30 10 HDEE C[C@@H](C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)n1cnc(C#N)n1 409999976 KKVNKXZYRDCZJE-NSHDSACASA-N 400.240 1.975 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCO1 410137340 MUKXQSCYYSOFIP-RHSMWYFYSA-N 424.910 1.557 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C[C@@H](C)O2 431231810 WDTRZNXWPPGTFL-JXXFODFXSA-N 421.519 1.677 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 437488176 CSIXWNOZOFWOSF-VQIMIIECSA-N 408.520 1.727 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460388702 QWFOWTMVMVBRCN-LSDHHAIUSA-N 421.505 1.858 30 10 HDEE CCc1nc(C)c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 488644113 YBTZEODUEYNBMI-OAHLLOKOSA-N 411.487 1.741 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 488954632 MKYOYVJZPOTPEZ-AWEZNQCLSA-N 415.519 1.738 30 10 HDEE Cn1ccnc1CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 500241523 RXOHPCIMJXCSAO-UHFFFAOYSA-N 419.451 1.724 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506638423 XTWXXOKHBQOCOD-IBGZPJMESA-N 416.570 1.266 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCCCCC#N)CC3)C2=O)n(C)n1 508501474 CKLOWFKFHLNTNX-KRWDZBQOSA-N 401.515 1.245 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508793162 OTRIITISBLQTHI-QGZVFWFLSA-N 401.467 1.852 30 10 HDEE C[C@@H](C(=O)NCCOc1ccc(I)cc1)n1cnc(C#N)n1 511138441 IIEHUPFXGPLJRV-JTQLQIEISA-N 411.203 1.511 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@@H]1CCCO1 520866192 SQNXTNNHVXUYSE-SFHVURJKSA-N 423.538 1.511 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(N)=O)ccc3CN(C)C)cc2C1=O 524834238 CLEUMLFHTSGTLX-UHFFFAOYSA-N 406.442 1.881 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2n[nH]c(-c3ccccc3)n2)C1=O 534586586 RLWLLVKLBUMHEA-CQSZACIVSA-N 408.418 1.112 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)O)c1 547892088 WLCRBKDOFOFXCM-AWEZNQCLSA-N 416.297 1.538 30 10 HDEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 549267181 ZQWPTFAKTSPJEF-UHFFFAOYSA-N 404.559 1.424 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 553905051 KBHDBGMSRHYSJA-HNNXBMFYSA-N 421.500 1.308 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 554931984 NHBZGNWCNHISHX-RHSMWYFYSA-N 421.523 1.700 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 610596469 DVLVKPNUZRSYKE-AVRDEDQJSA-N 424.505 1.106 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 619742123 HPLHQUORYPGQPY-UHFFFAOYSA-N 406.468 1.557 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2sc(NC(=O)c3ccco3)cc2C)CC1 642783527 ZFOQIVUTFWXJIL-UHFFFAOYSA-N 416.503 1.962 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 687293245 HRQLNGODZSQPCT-SNVBAGLBSA-N 413.290 1.231 30 10 HDEE COCCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671493 IZAJBHHYPSVQTK-UHFFFAOYSA-N 424.526 1.712 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 731886636 AGYSIRHRLHAUAH-IGTQYIEMSA-N 418.453 1.800 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 732448401 HDAWYTBYCCWMOK-FMQUCBEESA-N 415.469 1.616 30 10 HDEE Cc1ccc(CC(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 733894542 ARWSZEXZNCCVKZ-QURGRASLSA-N 410.474 1.125 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2(N3CCCCC3)CCN(C)CC2)CC1 745877489 BKUYZDYWAPMYEZ-UHFFFAOYSA-N 403.571 1.108 30 10 HDEE COc1ccc(F)cc1CN1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746103032 FRVFFZFOYQTBNZ-MRCUWXFGSA-N 416.453 1.395 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747446871 KSCZBMGIETUFLB-ZDUSSCGKSA-N 403.460 1.559 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)c1 748064151 KUQQKEUDEQFSNB-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE Cc1cc(NC(=O)COC(=O)c2ccc(C#N)cc2C)n([C@H]2CCS(=O)(=O)C2)n1 748408718 ZSPSUYMEEOPLMJ-HNNXBMFYSA-N 416.459 1.527 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cn1 749868153 FKONHXUTBUYUKP-AWEZNQCLSA-N 412.515 1.035 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CCN1C1CC1 751954224 IRJPXIHPPRHVHT-ZDUSSCGKSA-N 405.256 1.494 30 10 HDEE C=CC[C@@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 756688139 YQPGEFWQUVJOML-GUYCJALGSA-N 410.268 1.269 30 10 HDEE CCOC(=O)c1sc([C@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)nc1C 757021195 GMJRKINVQBUIRI-NLPIWRNCSA-N 406.464 1.722 30 10 HDEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CCS(C)(=O)=O)c2=O)s1 769876211 CGXSUQIPRVDEDE-UHFFFAOYSA-N 421.569 1.340 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1nc(-c2ccccn2)cs1)c1cc[nH]n1 772232460 YGBHGFRYSFBYLR-UHFFFAOYSA-N 400.420 1.851 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCOC4=O)cc3)CC2)nc1 783019659 DBEPOGYMRDZKJD-UHFFFAOYSA-N 406.446 1.942 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3ccccc3F)C2=O)n1 788366903 RDKDRROZDOUPBC-OAQYLSRUSA-N 413.453 1.529 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)n1 788559539 XKLWBMYNOWHDMU-UHFFFAOYSA-N 416.425 1.836 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCC2(O)CCC2)C1=O 790003044 NDIUEXHYTRNGAS-KRWDZBQOSA-N 418.563 1.991 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(C)(F)C2)c1 792380046 FNYKBKKSLLPUGL-JWGURIENSA-N 424.498 1.789 30 10 HDEE CC[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794302240 YIFWCPFURILQBO-MDOVXXIYSA-N 421.519 1.300 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1=S 795651288 KKNMHHBTPWQWPW-MRXNPFEDSA-N 422.580 1.975 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC2)o1 796281099 XJCLWHIGIDFXPJ-ROUUACIJSA-N 416.478 1.784 30 10 HDEE C[C@@H](NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 798739957 GKFXWFKTSIWKNG-GHMZBOCLSA-N 406.240 1.894 30 10 HDEE C[C@H](C(=O)OCC(=O)NCc1cccc(OCC(F)(F)F)c1)n1cnc(C#N)n1 798743109 YJRGHDXKDZZMOG-LLVKDONJSA-N 411.340 1.511 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 802613123 RWENVYXBNPIAMV-SFHVURJKSA-N 421.453 1.433 30 10 HDEE CC(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 812242125 NBYQCLYQPMVTET-HOTGVXAUSA-N 420.514 1.971 30 10 HDEE CN(CC(C)(C)C#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 817618185 XSXIWORGTNBHAC-MRXNPFEDSA-N 409.508 1.724 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC3CCCC3)cc2)CC1 917865946 FLVLRCAJZKIQAZ-UHFFFAOYSA-N 407.536 1.617 30 10 HDEE C#CC[C@H](COC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1131719202 ZOIMTSYEIUGKCH-LSDHHAIUSA-N 409.464 1.150 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 1135836372 KSDJKIUHWLRJNH-LJQANCHMSA-N 412.490 1.004 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCOC)CC1 1136831094 WUNWMOSIXHSKRH-KRWDZBQOSA-N 409.527 1.684 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 1136862145 ZFAQPHRPHNZJCP-UHFFFAOYSA-N 401.488 1.539 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)s1 1142056678 YMTCKSBBUKKGBM-CYBMUJFWSA-N 414.553 1.017 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)o1)S(C)(=O)=O 1149438066 JWFYSZXDFVLHFP-UHFFFAOYSA-N 417.491 1.938 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC([C@H](F)C(N)=O)CC3)CC2=O)cc1Cl 1150162989 IDHCLPOVAJVGGW-GUYCJALGSA-N 406.845 1.627 30 10 HDEE Cn1nccc1[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1156567240 WDKPKVYLJDIFCS-SJLPKXTDSA-N 406.446 1.860 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1161556630 MXBKHWKPOFJVEI-INIZCTEOSA-N 405.520 1.259 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1176069060 GKGHBSXSVBTVKP-MRXNPFEDSA-N 403.527 1.521 30 10 HDEE C=CC[C@@]1(C(=O)N(C)Cc2nnc3n2CCNC3=O)CCCN1C(=O)OC(C)(C)C 1177894264 OIELEAKPASIKLK-FQEVSTJZSA-N 418.498 1.326 30 10 HDEE Cn1cnc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1Br 1179247652 SQWXFQROOYDGBG-ZDUSSCGKSA-N 416.279 1.766 30 10 HDEE Cn1cc(-n2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc2=O)cn1 1184273447 SGHNYPKGZLEWJO-UHFFFAOYSA-N 421.413 1.089 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC(=O)Nc3ccccc3C2)CC1 1195546460 CXSWCFBOALIMRW-OAQYLSRUSA-N 421.476 1.989 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](Nc3ncccn3)C2)CC1 1198479369 QBXUYONGEBFHSZ-IRXDYDNUSA-N 411.535 1.433 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)c1 1208443719 XJLUUWMBQANJFX-UHFFFAOYSA-N 419.890 1.906 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 1233927443 HBKDANUQXGTOCA-IEBWSBKVSA-N 401.507 1.908 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1253778932 GTHKOPJIVGVPAY-LJQANCHMSA-N 421.563 1.974 30 10 HDEE COc1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1S(=O)(=O)N1CCCC1 1277338197 VJORDDWVTMISKG-UHFFFAOYSA-N 403.464 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286276189 WICMQOJQDVPKNR-CHWSQXEVSA-N 405.480 1.123 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286292370 HYNGPXDTWJLMHF-MAUKXSAKSA-N 417.535 1.868 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286348821 AEUNJRRZRNYKPD-ZWKOTPCHSA-N 419.595 1.904 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286371833 FQLWBNYDWQICDM-GJZGRUSLSA-N 402.499 1.698 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1286818075 SZRJGVNGAGPMMZ-UHFFFAOYSA-N 405.524 1.939 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1286824707 GUSAXWCGLJZTBB-UHFFFAOYSA-N 420.583 1.738 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1286950432 FRJXSURIGRBKGH-UHFFFAOYSA-N 404.478 1.812 30 10 HDEE CC1(C)CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1289003414 GUXFLPNFDNMWFJ-OAGGEKHMSA-N 407.540 1.735 30 10 HDEE CCn1cnnc1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1293154499 PFGOOFBCVGCTKV-RDYUPDBUSA-N 402.499 1.744 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(OC(F)(F)F)cc1 1294249458 IXABXJVHBJYNED-CQSZACIVSA-N 414.365 1.640 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)C1 1298906970 DUHCIGURUWKBIX-QGZVFWFLSA-N 406.527 1.850 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C)c1 1300653412 MJQGHRGCTCGCGO-MRXNPFEDSA-N 405.524 1.331 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H]2CCOC2)CC1 1300725878 LECDPCUMAONZCF-AEFFLSMTSA-N 401.511 1.174 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CCOC)C(=O)C1 1300892445 SPMUGJSPRGYUPA-XLIONFOSSA-N 403.527 1.507 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301033752 NLWTVHCIDOQSBI-CQSZACIVSA-N 416.873 1.254 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301134968 DQYGXEFTFLKONX-MRXNPFEDSA-N 400.527 1.927 30 10 HDEE C=CCn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1301473981 POUUHQFFBIHDGM-NQIIRXRSSA-N 405.543 1.665 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2F)CC1 1301478969 RWIYCWVZSSCTDK-HNNXBMFYSA-N 401.490 1.955 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1301491916 QVXHSGDFMPNFGT-CQSZACIVSA-N 400.458 1.349 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC=C(C)C1 1301596477 QBHVNQNQGLBCTH-IRXDYDNUSA-N 410.540 1.759 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O 1301810271 VDDMWTMJRIZXFY-OAQYLSRUSA-N 414.485 1.853 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)C1 1302436266 DQYDGCROUZRLDT-REOHEROTSA-N 413.522 1.972 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1302831515 CPNFFTSMBXTQCA-JLTOFOAXSA-N 412.483 1.753 30 10 HDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1308041800 YQKQMFOZCSLNBS-DENIHFKCSA-N 418.513 1.582 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccccc1C#N 1308146944 QXTASFZYBYCQFY-QZTJIDSGSA-N 405.495 1.866 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC 1311961919 CGFUXVOORWZAQP-CABCVRRESA-N 410.496 1.209 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1323594671 GCKJMIMAKASXAZ-NRFANRHFSA-N 424.542 1.917 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1358886906 MLAJVAAEDHTRBY-WMLDXEAASA-N 410.478 1.126 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1359000103 LQUUNDYPYZHMRY-HZPDHXFCSA-N 405.524 1.815 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1359000300 REDYISKSMVRWDL-RDJZCZTQSA-N 405.524 1.736 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCc2cn[nH]c2)CC1 1359038020 HRUVYTPOFSRXJX-UHFFFAOYSA-N 419.533 1.793 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359056574 HNCUQXRERMDSFE-MRXNPFEDSA-N 405.568 1.889 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359302714 RDOAPROCRUUBRA-CJNGLKHVSA-N 404.540 1.940 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)C1 1359312720 ZZXRBWJWDJTBTN-MSOLQXFVSA-N 402.543 1.780 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCn2nc(C)nc2C1 1359336665 XZYNKPGTPHLGKR-UHFFFAOYSA-N 402.528 1.353 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1359447342 UHFSHMAWLZYQMS-UIAACRFSSA-N 424.505 1.583 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1359470719 DKKZOVBOMHOQPP-JKSUJKDBSA-N 406.498 1.733 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1464019368 WLWOIWGXIDEFIY-CQSZACIVSA-N 406.426 1.350 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)cc1 1464121595 KDYGXEXPSKBAON-UHFFFAOYSA-N 418.475 1.667 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cccnc2OCCO)cc1 1464264983 DDYKGNYETSEQES-XLNRJJMWSA-N 418.475 1.518 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(C)c2)CC1 1465103205 GPAZRIXUBZJNBJ-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE C=C[C@@H](C)ONC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1469733067 NTXHLFYHRDMBAQ-CYBMUJFWSA-N 404.492 1.778 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 1471450538 DKMFOZXFDCEQBP-MRXNPFEDSA-N 407.536 1.363 30 10 HDEE N#Cc1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c(F)c1Br 1472643206 BRGORZUILPPJES-LBPRGKRZSA-N 402.289 1.769 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 1474974845 CACRJZRAUWDOOH-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)c1 1475572844 VEVUDTPXZCCCKD-AEFFLSMTSA-N 403.460 1.512 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1493143485 CUMOZCNOBRZGNH-KDOFPFPSSA-N 404.496 1.655 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC 1497055594 HNFOSPMKBYCSCI-QGZVFWFLSA-N 403.531 1.410 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CCCCN2CCC[C@H]2CO)cc1 1505316760 LELPDNUMGCSQAD-FQEVSTJZSA-N 410.522 1.890 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1507517305 PERAUUJFYHQJJO-GOEBONIOSA-N 421.571 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(CC)CCC(F)(F)F 1507639500 YUPDJXPTTVODKP-UHFFFAOYSA-N 424.471 1.861 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nccs2)CC1 1507718988 JDUVDJAKWDRRGA-HXUWFJFHSA-N 416.551 1.579 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCn2ccnc2C)CC1 1507728991 YGTDFOBGVMRXHH-UHFFFAOYSA-N 410.551 1.594 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1507745393 BOFIAEWHRWPCHC-AWEZNQCLSA-N 410.569 1.385 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507836604 RSHWLNIMZKTBSJ-NZSAHSFTSA-N 402.543 1.695 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507872295 CPZASRDEJLLAGL-LJQANCHMSA-N 409.918 1.882 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507960131 KVIKVVXJAYOAAX-INIZCTEOSA-N 422.555 1.346 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1507979650 BMWOFSQWQSGEEP-HNNXBMFYSA-N 413.544 1.192 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1508021808 UJPVFMJTMOHEKM-MRXNPFEDSA-N 411.597 1.407 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCOCC1 1508038749 CZIILPIXZRGROM-UHFFFAOYSA-N 403.531 1.428 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1508039402 NRSSORRHMOMQPY-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCCC)C1 1508130211 TUCPLCPAPWZJKJ-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1508141124 LIYMTGYRLHCVCB-UHFFFAOYSA-N 423.583 1.889 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@@H]1C 1508417229 YROCNTXOQHXXOQ-LPMFXHHGSA-N 400.439 1.989 30 10 HDEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1509765805 HSHKCMOSKQPISK-UHFFFAOYSA-N 415.523 1.534 30 10 HDEE CC(C)C(=O)N(C)Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1539119814 ZXLZFRSPKRFNCL-FXAWDEMLSA-N 403.504 1.311 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1539194242 UMIYQOXFKAVDOR-UHFFFAOYSA-N 417.271 1.261 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1539291644 ULGQMDVRUKYOIU-AVRDEDQJSA-N 413.522 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1539315274 HOHNMYFGSHEROS-GDLZYMKVSA-N 413.503 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1([S@](C)=O)CCC1 1539333829 LYEBDTMKHYNYID-LJAQVGFWSA-N 412.563 1.904 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCS(=O)(=O)CC)CC1 1539453738 DFSHHRDXRWLMNH-UHFFFAOYSA-N 415.563 1.253 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1539534798 ZVBXBFQPEPONMW-HTAPYJJXSA-N 423.521 1.638 30 10 HDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539717487 APOFBWOWZLIJIM-HZPDHXFCSA-N 416.478 1.802 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1Cc1nnn(C)n1 1540121206 IIIDHBIOZLZCKH-UHFFFAOYSA-N 414.477 1.920 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCCC2=O)C1 1540867873 KTFVEZYRERARMH-HNNXBMFYSA-N 412.469 1.588 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540904476 NIEPGHHYCUURBT-AREMUKBSSA-N 410.565 1.815 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541150359 GASJUHXWRSJMEX-IQGVVSCOSA-N 401.446 1.544 30 10 HDEE C#CC[C@@]1(C(=O)NCC(C)(C)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1542930782 QOVQVTMQLUQNFG-QFIPXVFZSA-N 406.571 1.922 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N(CC)CC)CC2)c1 1543893052 MXZJZOMTVJVAFI-UHFFFAOYSA-N 405.520 1.703 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1545760661 GZAOOCJIALMCHH-NNMXDRDESA-N 410.522 1.615 30 10 HDEE COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1555281234 SVLOXTOBWIAGBO-CQSZACIVSA-N 406.487 1.994 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1555557756 CCLICPHPXJARRC-HNNXBMFYSA-N 411.528 1.116 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1555993120 INJUGXHZRNNTNH-CABCVRRESA-N 414.432 1.537 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1556375802 SMEBOWOXPWLHIJ-KUHUBIRLSA-N 400.472 1.120 30 10 HDEE C=C(CCN(C)C)C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1556629537 XHNOLKQWTCXVSQ-UHFFFAOYSA-N 400.567 1.982 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1557702774 FZNXTJYMJNLUPC-OAHLLOKOSA-N 410.430 1.683 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1558078392 SQOIQOPAJITAHU-INIZCTEOSA-N 421.519 1.525 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1559983472 SCBDLJJSVQSKRT-IBGZPJMESA-N 405.564 1.949 30 10 HDEE C#CC[C@H]1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1560136585 XSCVSSINRTWHIO-IBGZPJMESA-N 419.547 1.616 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1564119852 GTFDKSWTCVZKNG-JKSUJKDBSA-N 405.501 1.898 30 10 HDEE C=CCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1564824601 NEIIBTZJKZYUQG-UHFFFAOYSA-N 420.535 1.799 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 1564926342 RNFLESQHXPXHJL-AEFFLSMTSA-N 424.954 1.771 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)CC1 1565253447 MWVAWZPCGYUSGB-CYBMUJFWSA-N 423.457 1.385 30 10 HDEE CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1565698366 CCBDDUCDTANBNP-UHFFFAOYSA-N 417.853 1.741 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)cn1 1568546487 NSCISIOWDNUXFB-UHFFFAOYSA-N 420.473 1.790 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CC1 1569760809 ZTNWMBAOFLNTOR-SFHVURJKSA-N 417.510 1.584 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]1CS(=O)(=O)C2 1585660062 CTPSYKKMORZCTN-YVEFUNNKSA-N 418.456 1.729 30 10 HDEE N#Cc1ccc(CCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 1586145095 CLMFPORTMSEABF-UHFFFAOYSA-N 405.501 1.613 30 10 HDEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587809136 ZQOAOYZLFCNIPF-QZTJIDSGSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588029013 BYPHNARVIJDNBM-HNAYVOBHSA-N 410.540 1.008 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@]2(O)CCCC2(C)C)CC1 1588749955 BAJWMDAWHNICJI-XMSQKQJNSA-N 419.570 1.699 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C)n(C)c2=O)CC1 1588769073 OBYLOJUFVFRMPF-UHFFFAOYSA-N 406.490 1.657 30 10 HDEE N#Cc1cn(CC(=O)NCCc2cc(Cl)cc(Br)c2)c(=O)nc1O 1588944309 AAGDBJZNOVLDFV-UHFFFAOYSA-N 411.643 1.595 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1594775371 SFVVSVKPZBFEAH-UZLBHIALSA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595475427 CMVYHGGFZLQYRS-INIZCTEOSA-N 408.510 1.687 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 1595523501 WPGQAEMFMBJDJY-UHFFFAOYSA-N 419.493 1.513 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C)[C@H]1C 1595537161 MSHNEFBIGYSZEA-OLZOCXBDSA-N 418.523 1.638 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595555834 IIXGHJWFJXYLCD-OAQYLSRUSA-N 412.469 1.027 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2n[nH]c(C)n2)C1 1595674696 SBLJKCZHEDCCBS-HNNXBMFYSA-N 423.481 1.376 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595871697 WNCQVCMKCPDRRF-ZIAGYGMSSA-N 413.569 1.162 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cncc(C#N)c2)CC1 1596856334 RORUGQGGICHMAD-UHFFFAOYSA-N 403.464 1.275 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1607581901 KYWRKBCTLPSLEV-FHWLQOOXSA-N 418.542 1.258 30 10 HDEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC 1613996982 QDSRGXFFLURCTJ-GOSISDBHSA-N 416.551 1.720 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1614069755 FCVPCPDIOJZAQC-UWJYYQICSA-N 410.478 1.337 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCOC1 1617779601 BNPZGGFGJRAQRN-FUHWJXTLSA-N 424.505 1.869 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1618047360 AUDBJUBUEIKBTO-SFHVURJKSA-N 413.927 1.691 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1619677685 NPPZKANHKKTUAC-AWEZNQCLSA-N 421.461 1.666 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1620077158 HOLBPZWGRFWIIO-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2nnc3c(=O)n(C)ccn23)cc1 1620573470 MJFMCBQBMLFHMU-MRXNPFEDSA-N 407.478 1.504 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)C1 1622551765 ZQBMHPLEKFCBTC-CYBMUJFWSA-N 400.884 1.511 30 10 HDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1623692304 BTXRNXHAGIPPLP-WBVHZDCISA-N 421.542 1.385 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)NCC)CC1 1624760254 LVKYCPVMTJAZAY-QGZVFWFLSA-N 410.559 1.906 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)NCc2ccc(C(=O)NO)cc2)cs1)C(N)=O 1626242929 UXLZOYUEBKTFKM-CYBMUJFWSA-N 408.505 1.477 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 1626273326 RCDMZEAMBWXHIQ-UHFFFAOYSA-N 403.485 1.428 30 10 HDEE CNC(=O)[C@]1(C)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1626397465 GVDDIELUTRYLLA-GOSISDBHSA-N 405.296 1.742 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1628944687 ZFNJGLFKBDXEQO-UHFFFAOYSA-N 409.508 1.222 30 10 HDEE C#CCN(CC(=O)N(C)CCCn1cnc2c(N)ncnc21)C(=O)OC(C)(C)C 1630277409 YFHDRQCETMJAEM-UHFFFAOYSA-N 401.471 1.127 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1630720982 QWCJLIHHRVXULL-KFWWJZLASA-N 411.499 1.390 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC3CCS(=O)(=O)CC3)CC2=O)cc1Cl 1632294170 FERACKNARWKEHA-CQSZACIVSA-N 409.895 1.506 30 10 HDEE N#Cc1ccc(C2(NC(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CCC2)cc1 1633615248 RPDRXYVSZWJPJD-PKOBYXMFSA-N 403.504 1.973 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(C)COc2ccccc2O1 1633844385 QVRKJFOPLFIROQ-JLTOFOAXSA-N 415.471 1.571 30 10 HDEE COC(=O)CCSCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1633997434 MUCVCWJGGVYUCY-ZDUSSCGKSA-N 409.895 1.977 30 10 HDEE CCOCCOC[C@@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1634539829 HBVVAYGSOQYAFU-HOCLYGCPSA-N 409.870 1.095 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1636915320 CMVSJABYIUBBMZ-UHFFFAOYSA-N 415.471 1.252 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CC3(CCC3)C2)CC1 1640201482 IFVALQYXELMXKG-UHFFFAOYSA-N 418.538 1.108 30 10 HDEE COC[C@]1(CO)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1640895932 GCCVSYPMDKDLLV-HXUWFJFHSA-N 423.535 1.143 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 1643375184 JMDVUIXBMWTSCN-CYBMUJFWSA-N 407.492 1.208 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)cc1 1643741342 KBFPHVMIKZOINA-KRWDZBQOSA-N 406.504 1.304 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)c1C#N 1648430027 BERGEEBSIMIAAP-UHFFFAOYSA-N 400.430 1.922 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 1652164294 AWVDNGNAONQALF-INIZCTEOSA-N 410.540 1.357 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1cncc(C#N)c1)N2C(=O)OC(C)(C)C 1652273998 BJAWRRGFXHUZQJ-LUKYLMHMSA-N 414.462 1.757 30 10 HDEE CC(=O)NCc1ccc(C(=O)Cn2cc(C#N)c(I)n2)s1 1652916712 UUEFRUPVQAHCEN-UHFFFAOYSA-N 414.228 1.940 30 10 HDEE COc1ccc(-c2nc(C)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)s2)cc1 1653760639 YJLJZWRTPOWXOW-UHFFFAOYSA-N 423.454 1.958 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 1654984977 WTPPTGVFEAYYQR-JKSUJKDBSA-N 400.541 1.078 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1)C1CC1 1657894946 XYSBXLGIFDHXIX-OAHLLOKOSA-N 419.503 1.890 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1665019982 VLJPPZNQTSEWBC-UHFFFAOYSA-N 402.563 1.456 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1 1673398510 LPHITHMHUOCEGB-OAHLLOKOSA-N 420.495 1.784 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1689867201 QCTZAIOKNVROOM-BZUAXINKSA-N 411.572 1.546 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689990474 PAYRSGQFUAMLEO-FUHWJXTLSA-N 405.568 1.657 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC(C)C 1690095149 GLMZWNMGICHPME-UHFFFAOYSA-N 423.315 1.646 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)C2CC2)CC1 1690131032 RUAXKHBGTJLVDT-XMMPIXPASA-N 423.561 1.988 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1690287921 AEIYAIFMQHMPKC-MRXNPFEDSA-N 405.528 1.264 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690309944 ODBBSBXNOQITBS-UHFFFAOYSA-N 411.572 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(-n2cccn2)c1 1690515620 QCNVVUBAHPNBEV-CQSZACIVSA-N 416.511 1.140 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1 1690669705 MLYCWBPKQPWWOE-CYBMUJFWSA-N 414.432 1.700 30 10 HDEE CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1690927836 XLHYTCCDNHDZMR-UHFFFAOYSA-N 411.466 1.018 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1696084536 BUSLUWBSTHQNMA-JXFKEZNVSA-N 405.499 1.476 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1ccnc1C 1705477273 LRBPYTCXLRDICX-CABCVRRESA-N 407.544 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCOCCS(C)(=O)=O 1705496324 DNOHPLFAQHUSIR-HNNXBMFYSA-N 408.499 1.527 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1705538256 HVHIFSOZZYQUMY-CQSZACIVSA-N 400.508 1.350 30 10 HDEE C#CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705538913 DKUFMWKVFTWPSW-LLGFUMIMSA-N 401.511 1.306 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCOCC1 1705578095 GDTQRQHPBJWGGS-KRWDZBQOSA-N 407.474 1.467 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1705648626 UZUJCXHVYYAXNW-MRXNPFEDSA-N 408.462 1.261 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCO[C@@H]1C 1705666467 ABKSACWLDPOKQC-LPTQZCDUSA-N 403.527 1.729 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705828072 ABWUQGHEOCRBMS-UHFFFAOYSA-N 421.509 1.753 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705899646 AVZZECYNQBYCGB-UHFFFAOYSA-N 409.494 1.091 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)C1 1705921972 CUCCJZMMMWCWAG-YOEHRIQHSA-N 400.483 1.918 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705946044 XVAOEFUBUDWFKD-CVEARBPZSA-N 406.556 1.995 30 10 HDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)s1 1709018106 BERJPYHHQUCHRB-GFCCVEGCSA-N 410.507 1.979 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1711338922 OBULWIMRZPGCIP-RBUKOAKNSA-N 424.505 1.585 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1711916511 ICILYUNKEZWHFA-PXNSSMCTSA-N 424.505 1.941 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1712594613 RKNAUTFHCZLDFH-SFHVURJKSA-N 408.466 1.350 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1719766174 KEOHBPNQCDRVGJ-DHBZOUTCSA-N 400.479 1.152 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1722275924 GEPALVULWHQPFG-KNQAVFIVSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722361678 OFRMOXTXLZRSGG-SFHVURJKSA-N 422.514 1.605 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1722384386 VQLJBRZULBPPKV-SJORKVTESA-N 412.519 1.027 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCOC1 1722423554 HRHHZIJQTDPCFV-QFIPXVFZSA-N 407.474 1.731 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCSC2)CC1 1722439676 LJCIMABMMBTXTI-IBGZPJMESA-N 418.592 1.257 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCC(=O)NC2CC2)CC1 1722443802 AZOKLISWJRVWJE-MRXNPFEDSA-N 414.554 1.816 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722454119 JCQNKYQBNWSTBD-QGZVFWFLSA-N 415.544 1.806 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722458459 JZERFJUAZAEGJY-INIZCTEOSA-N 418.567 1.290 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722507361 FGBJEBQZENFUGY-SJLPKXTDSA-N 411.572 1.587 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1722581718 LCHUPHZOWPMVTL-DOTOQJQBSA-N 423.583 1.887 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722614843 DVVIDVLALDCHCH-SJLPKXTDSA-N 402.543 1.885 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722669222 BEIAISGWTWNCAH-INIZCTEOSA-N 404.540 1.744 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722707245 KGPCWMLUHFZXQQ-MRXNPFEDSA-N 421.505 1.959 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC2CC2)C1 1722711687 GYVIAYOLILSIRP-KRWDZBQOSA-N 420.539 1.285 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC(O)CC2)C1 1722712099 LJVJTONEKSVUHB-SFHVURJKSA-N 413.526 1.363 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](COC)C1 1722726390 DOMICGJHXJYRGC-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(O)c1 1723932248 AWVHWSSAKXVKRB-SJKOYZFVSA-N 408.459 1.084 30 10 HDEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1729606415 HTLNFXRUMNARMT-HNNXBMFYSA-N 418.383 1.761 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C1 1730998734 QJOWOTAEHFHOOZ-QAPCUYQASA-N 415.519 1.867 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1731180687 CFGNJJUQDCXYKJ-IBGZPJMESA-N 418.498 1.531 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccccn2)nnc1N1CC=CCC1 1731220868 XTPQEPCFEVZLBO-VXPUYCOJSA-N 405.462 1.557 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC 1740556987 XKWOGRJJEHUXAB-HNNXBMFYSA-N 400.508 1.409 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1740574319 KIAUYSRYOJXKBL-KRWDZBQOSA-N 421.523 1.644 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740625329 NHXLUHQCHWCCTR-RDJZCZTQSA-N 419.576 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H]1OC 1740634779 IHEFDOCWHGJNRG-ICSRJNTNSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1740641306 HBVLEEMWDMBVRJ-PMERELPUSA-N 423.542 1.400 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740694414 IWKSBFKNYMXIBQ-ROUUACIJSA-N 421.567 1.242 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)N2CCOCC2)CC1 1740817727 RBHMJHKTNXWXAS-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1747218606 ADQCAZDBSSLYGE-MRXNPFEDSA-N 419.507 1.190 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCOC1 1747622871 AERWSTBDEWKPPW-SFHVURJKSA-N 415.519 1.867 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1748253483 FPDRLEWNIMYFAL-UHFFFAOYSA-N 421.509 1.784 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1748639056 BGKHSYDJPKXHIW-KKUMJFAQSA-N 423.514 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1748686606 SIZMCELBPCHHSS-HNNXBMFYSA-N 416.507 1.126 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1748739553 CJOBLKHVFAMZAP-HNNXBMFYSA-N 402.476 1.711 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748816306 YQWKEHHMDVFVNW-ULQDDVLXSA-N 408.524 1.325 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(CC)n1 1748826568 VMJWBEXKUNDFCZ-CYBMUJFWSA-N 406.537 1.028 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)c(F)c1 1748841050 QYKQFTYZAPGTOR-UHFFFAOYSA-N 417.448 1.685 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(C(N)=O)c2)CC1 1749004713 MCBMHFKBQVNQMI-MRXNPFEDSA-N 422.533 1.905 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749033945 RYKVEBIHBAZKLW-OFLPRAFFSA-N 418.567 1.479 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCNS(C)(=O)=O)CC1 1749293818 HQRLJIQLXPPSQN-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnn(C)n1)C1CC1 1749505953 FKTSONHVWMCXFZ-UHFFFAOYSA-N 407.482 1.874 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1749663628 KVBLUPXSPXVLRP-SJORKVTESA-N 413.526 1.765 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1749676182 HQKGHJVVLHXGCT-UHFFFAOYSA-N 414.510 1.401 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2CCCO)C1 1749703671 MPVGDFLFBLJYCD-RBUKOAKNSA-N 412.538 1.968 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 1749704790 BSGCMWBNKPHRCV-MRXNPFEDSA-N 401.515 1.622 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC(N)=O)n1Cc1ccc(C#N)o1 1750113342 NGXQYAOBGHKRHB-DCGLDWPTSA-N 402.455 1.215 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1751099557 DQDATIGMOJEVMG-ZDUSSCGKSA-N 405.466 1.103 30 10 HDEE Cc1c(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cnn1C 1751375307 JDLUGPLTGMILES-UXHICEINSA-N 417.489 1.851 30 10 HDEE Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1751879012 YKSCEBODKLFYJB-MSUUIHNZSA-N 401.858 1.798 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1nccn1C 1757803197 DITIQULECXDNBC-SUFIHLRJSA-N 402.495 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1760111651 QIYORZRQHSUYQB-AWEZNQCLSA-N 400.508 1.824 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2cc(C)nc21 1760191854 ANGLJVRFPYWUBJ-GOSISDBHSA-N 405.506 1.669 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1760199892 MJTCSIBMGFSAMW-UHFFFAOYSA-N 410.503 1.219 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1760236096 IJRQCAVZWDQICZ-QGZVFWFLSA-N 413.497 1.962 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCC2(F)F)CC1 1760252220 NZPXPANZDBPIRW-INIZCTEOSA-N 408.497 1.997 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccn(C)n2)CC1 1760264502 QIIAOPONZCLQPB-UHFFFAOYSA-N 409.469 1.533 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760281447 SHBXSVYYZGPZBC-JKSUJKDBSA-N 418.567 1.337 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCOC[C@@H]1C 1760284727 QQKARORROPJFMD-AWEZNQCLSA-N 405.549 1.861 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760514487 HFFYLQWVNWEZEB-KBPBESRZSA-N 415.523 1.558 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760526403 NEOYMVJKKWANQZ-GOSISDBHSA-N 423.525 1.517 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCO[C@H]2CCOC2)C1 1760544939 KIKAVYLIOWKFDU-MSOLQXFVSA-N 402.499 1.656 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCOC2)C1 1760547406 KHZADHZTUVTGLC-IERDGZPVSA-N 418.469 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]2CCC[C@@H]21 1760549081 WGEXOZJXHLYDEG-HOTGVXAUSA-N 409.556 1.786 30 10 HDEE CC(C)c1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1760908304 GZIMCZDWDNMFRB-HXUWFJFHSA-N 411.466 1.729 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1764996264 LVGATGDOAJIWLD-CVEARBPZSA-N 416.432 1.956 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1765595329 KLFXSNZBVOOVAC-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1765891060 ULPMDDFWIBJAFB-DUXKGJEZSA-N 419.526 1.866 30 10 HDEE CCCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1766252706 FKNGNVBORVORRV-UHFFFAOYSA-N 407.522 1.876 30 10 HDEE CCOCc1nnc(N2CCS[C@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766447262 ZZONTVVIDCTOEA-IAFNSTAXSA-N 420.539 1.673 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1769878928 DJEQVPMMEDDFMS-HTAPYJJXSA-N 423.521 1.965 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1(C)C 1770633869 VQJIKLTYFBHYKQ-QGZVFWFLSA-N 407.482 1.755 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1770740888 XUDOMPQUEDARFZ-OALUTQOASA-N 408.462 1.741 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1772567193 NGCGZPASICILLM-WWDZGPRUSA-N 418.542 1.358 30 10 HDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788210 NBMMUIJAGSXJBO-LBPRGKRZSA-N 403.412 1.859 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1851064280 AHCGXOBHEUDKPQ-KRWDZBQOSA-N 405.564 1.818 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1851071083 UXEYKRFPBIBNOX-ZDUSSCGKSA-N 405.442 1.702 30 10 HDEE Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2[C@@H](C#N)c2ccccc2)n(C)c1=O 1851071194 YONXMFMISVASLT-IRXDYDNUSA-N 420.473 1.122 30 10 HDEE C#CCOc1ccccc1C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)n[nH]1 1851855692 MQQDXKBOOUAEIZ-UHFFFAOYSA-N 403.446 1.791 30 10 HDEE COc1ccc(S(=O)(=O)N(CC(=O)N2C[C@H](C#N)CC2=O)c2ccccc2)cc1 1852261546 XHCXLBLLBQFWGI-HNNXBMFYSA-N 413.455 1.789 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)Cn4cccc4)C3=O)CC2)CC1 1853675764 PSZRTPUMYVHOAU-LJQANCHMSA-N 411.506 1.090 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2=O)cc1 1853903612 UUXFTZXNKUDXBE-UHFFFAOYSA-N 411.483 1.692 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)C3CCOCC3)C2=O)CC1 1854863831 OBJMHEBRLMLYRQ-LJQANCHMSA-N 412.490 1.598 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3nccc(Cl)c3F)C(=O)C2)C1 1854940697 HOZXYCJAQVOBDZ-KBPBESRZSA-N 407.877 1.925 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cccc(OC(F)(F)F)c3)C(=O)C2)C1 1855019886 YYTSLFQYKRCULD-HNNXBMFYSA-N 410.396 1.858 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCCN(CC(=O)N(C)C)CC2)CCC1=O 1855127385 VVJJPFBYMMJHLS-RTBURBONSA-N 406.571 1.450 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)c3cccc(C#N)c3)CO2)cc1F 1855230294 QMGWIKGGNCSGAR-AWEZNQCLSA-N 406.391 1.867 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855247196 NRDZLMUHJFTYOE-INIZCTEOSA-N 419.503 1.247 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1=O 1855402317 MUPIBWOAOOPRAZ-JKSUJKDBSA-N 408.462 1.858 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1855861903 IWEQLFRLVYVHEL-CQSZACIVSA-N 402.886 1.177 30 10 HDEE N#CCCCN1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)C12CCCC2 1856520895 CUHCJENJBAVYSK-MRXNPFEDSA-N 400.483 1.216 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)CCc3ccc(F)cc3F)CC2=O)CC1=O 1856597116 OSNGCMBYDBOYDT-NVXWUHKLSA-N 419.472 1.849 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccn(C)n1 1857003539 ZRZCIRDUBMQFGF-HNNXBMFYSA-N 414.487 1.879 30 10 HDEE CCOc1ccccc1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042251 UWDSCZCJBJPQDD-MRXNPFEDSA-N 419.503 1.639 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C1=O 1857151605 WLTDDLRVIVPJPG-XJKSGUPXSA-N 418.448 1.422 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487785 DTMJNVGRVYAVEL-UYAOXDASSA-N 414.554 1.724 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 1859009722 BVLZGRZOKPGZMO-UHFFFAOYSA-N 406.485 1.698 30 10 HDEE C=CCNC(=O)[C@](C)(CC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516285 DQUQVKRRRLMHFR-NRFANRHFSA-N 401.463 1.520 30 10 HDEE C=CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870348318 SIBWOGATPCQLCP-UHFFFAOYSA-N 408.502 1.595 30 10 HDEE C=CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN(C)CCO)cc1=O 1870387487 GKDTUABEUHWXBS-HXUWFJFHSA-N 401.507 1.846 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccccc1C(=O)O 1874472273 VVJSESYMVOOFMQ-RGVLZGJSSA-N 405.480 1.666 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC1(O)CC(C#N)C1 1882494329 KIRVOTXKLFUGBC-HVEKOLDVSA-N 424.475 1.224 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCO[C@H](C#N)C2)CCN(Cc2ccccc2)C1 1985195615 GNSGCSPJZREZPW-GCJKJVERSA-N 414.506 1.907 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1C 2010386409 RGICRKIXSXSSJB-JTQLQIEISA-N 400.277 1.501 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCF)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010394666 FSNBSKBBKGRSDN-ZDUSSCGKSA-N 424.282 1.967 30 10 HDEE C=CCSC[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1CC 2069595886 YPHJBURJTROKRY-CYBMUJFWSA-N 411.958 1.669 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O 2103250546 GNNDXPCVIYTTCQ-NSHDSACASA-N 403.482 1.656 30 10 HDEE C#CCOC1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108229782 GQENNEDSWCBIAR-HXUWFJFHSA-N 422.478 1.455 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(Br)c(NN)n2)CCN1Cc1ccccc1 2120570237 SLPOJQFAATXEPG-CQSZACIVSA-N 415.295 1.980 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)O 2151775728 JXIIFZDQDMMITE-LBPRGKRZSA-N 417.871 1.858 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N)NC(=O)OC(C)(C)C 2162923950 CNANGLAXFZUDGQ-LJZMDLFKSA-N 416.525 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174782216 OCPMQOHHQYKTRC-ZBSNKRKSSA-N 420.557 1.431 30 10 HDEE C#CCN(C(=O)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180112049 CALVYZIXYIKLDZ-NEPJUHHUSA-N 412.430 1.481 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCC23CC(C#N)(CO2)C3)C1 2181148857 XIJJKCMBGLDMPU-JTVPTGRASA-N 413.474 1.992 30 10 HDEE C[C@@H](COCc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243382877 VUCKNPCFJHWCIQ-AWEZNQCLSA-N 400.288 1.449 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429786 IGFKUBOGFGRNJV-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE C[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243493300 SCGFQTWQLBPABM-GFCCVEGCSA-N 406.292 1.419 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684965 KGKHDGOHLICXKH-NSHDSACASA-N 422.316 1.114 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243717085 VFKZHWGBZHKMFK-QWRGUYRKSA-N 424.332 1.501 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(Cc1ccccc1)C2 2255647777 DATBZRVVYZDZTE-SBUREZEXSA-N 422.338 1.724 30 10 HDEE COc1nnc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 2267379435 YKXMOENODSPRBU-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE C[C@@H](ONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269035623 GUFHAYJOZLFKLO-SSDOTTSWSA-N 411.694 1.384 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCC1 2270513399 FTVPDVIGMMUJEO-ZWKOTPCHSA-N 422.503 1.566 30 10 HDEE CN(c1ccc(C#N)cc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270539306 FDSCLKFCXSOCAP-QGZVFWFLSA-N 417.443 1.704 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CNCC[C@H]3CO)sc2Cl)OC1(C)C 2281969214 KCAJVQFWCSASCH-CMPLNLGQSA-N 400.737 1.401 30 10 HDEE CCSC[C@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282337707 JCMITBXDDPYXIU-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE C[C@@H]1C[C@@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342473 HXJINFRGCXWRKR-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC(C)[C@@H](O)CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500040 UZVSYLLKHQYMHU-AWEZNQCLSA-N 403.375 1.826 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCN2CCCO2)OC1(C)C 2282500943 PWIKBSXLBPPXEA-UHFFFAOYSA-N 402.347 1.104 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CC[C@H](C2)O3)OC1(C)C 2282507016 APKLIWBINREYHH-TXEJJXNPSA-N 400.331 1.135 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)n1 2282590328 ZTBGKHPOULYOEQ-CQSZACIVSA-N 405.304 1.618 30 10 HDEE CN(CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(C)(=O)=O 2282644985 GUNUDKADGUTRRV-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN[C@H](C)C1 2282843484 OGYJRESVAIPOLI-DGCLKSJQSA-N 400.375 1.775 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282846260 HIZALQRTMKDJKB-QWHCGFSZSA-N 401.359 1.892 30 10 HDEE CCSC1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282851284 ZXJXWCWLSXLCLC-UHFFFAOYSA-N 401.363 1.283 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282869331 AWEMCZKSRMZXAD-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CCC[C@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282872546 YDRIGLHSBJXUNF-ZDUSSCGKSA-N 403.375 1.875 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(N)=O 2282872748 AUABQWAYTYDOLR-MRVPVSSYSA-N 423.127 1.445 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CSC[C@H]2C(=O)O)OC1(C)C 2284397126 IVYLHZNVVCRAQA-NSHDSACASA-N 419.355 1.337 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H]2C(=O)O)OC1(C)C 2284404416 YBRLLHZTJRBZRJ-LBPRGKRZSA-N 401.315 1.426 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]21 2303389896 KDVVZLBFSAYXAE-ARFHVFGLSA-N 420.315 1.904 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331566150 LWUCPTQURRHREG-UHFFFAOYSA-N 408.440 1.539 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC2(CC1)OCCO2 2362336613 GPZKBXRDKLEXKX-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE COC1(C#C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363526283 KBVZAGMWMCCLTC-HZPDHXFCSA-N 401.525 1.638 30 10 HDEE Cn1nc(I)cc1[C@@H](C#Cc1nccs1)OCC(=O)O 2363662157 GZTBLAVPVQTWDJ-SECBINFHSA-N 403.201 1.675 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365208109 BHFZYQVOQKFGGP-HRCADAONSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)NCC[C@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367791734 ZQKNMEJKUFTLMC-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797368 UWWNVVOKRDBNGB-FZKQIMNGSA-N 401.481 1.294 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367808595 DVZHUBDCQCVKBL-MAUKXSAKSA-N 400.541 1.163 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(C)(NC(=O)OC(C)(C)C)C1 2367820542 RMDQUNJSGRDVAH-ZCGYKAAXSA-N 400.541 1.353 30 10 HDEE C=C(CS(=O)(=O)NC1C[C@H](C)S(=O)(=O)[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2380744649 LCEJFYMGDHKHBD-STQMWFEESA-N 407.363 1.448 30 10 HDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(F)cc(F)c21 13789667 QWOPXLBYZVLMII-LVZFUZTISA-N 413.471 1.713 30 10 HDEE CCCn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C/c1cc(OC)c(OC)c(OC)c1)N2 15349166 DIHSXBNQRQAWDA-WQLSENKSSA-N 401.419 1.632 30 10 HDEE Cn1c(CNC(=O)C2CCC2)nc2c1CN(S(=O)(=O)c1cccc(C#N)c1)CC2 65284667 AFEAVGNTUIOKNI-UHFFFAOYSA-N 413.503 1.455 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 437494672 KTZAZOMPZXTOTQ-AWEZNQCLSA-N 405.451 1.902 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCn3c(O)nnc3C2)CC1 460099839 BPUXZTJXBNNHRU-UHFFFAOYSA-N 409.406 1.362 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1 460915361 BRNGZOPQSJHAKH-UHFFFAOYSA-N 414.487 1.976 30 10 HDEE CS(=O)(=O)c1ccc(Nc2cnn(-c3ncccc3C#N)c2)c(S(C)(=O)=O)c1 460956393 HQKQWTIAZCQFOX-UHFFFAOYSA-N 417.472 1.690 30 10 HDEE C[C@H](CC(F)(F)F)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 464372732 ASQNGTMRWMZYSY-GFCCVEGCSA-N 404.414 1.915 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)CC1 466071356 AKXNBVLKEGSPLV-XLIONFOSSA-N 419.595 1.760 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCOc2cccc(C(N)=O)c2)cc1 468711349 LNVUYCVYGLVXOX-GOSISDBHSA-N 424.482 1.966 30 10 HDEE COc1cccc2c1CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 470549157 MDILGZMRLNQCQJ-HNNXBMFYSA-N 413.499 1.861 30 10 HDEE CCCNc1ccc(C#N)cc1NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 476111356 DONQALDNWINUPY-HXUWFJFHSA-N 413.478 1.934 30 10 HDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)cc1 481033421 FYHKVGDNVCANLX-LJQANCHMSA-N 417.462 1.926 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1Cl 513442773 KHFHSEUFYHTVPQ-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N(C)C(C)C)cc2C1=O 522788980 TYIUXKSQGZADBR-INIZCTEOSA-N 401.488 1.851 30 10 HDEE N#Cc1cnc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c(Cl)c1 532679800 RJCZQPDPZYMIEY-UHFFFAOYSA-N 422.850 1.585 30 10 HDEE C[C@H](NC(=O)CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1)c1ccc(F)cc1 546918837 XHSIXGYOQOLZNG-INIZCTEOSA-N 424.480 1.208 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@H]2CCCO2)cc1 549520993 SSGCBZJHYCQFEU-UYAOXDASSA-N 424.505 1.429 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCOC2)CC1 550024887 OBQPACUQQUUGLN-FXAWDEMLSA-N 424.505 1.601 30 10 HDEE COCCn1nnc2c1CCN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 559289310 AIVAGOUVKRFVRA-LBPRGKRZSA-N 400.508 1.732 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 578672967 BVYUTBARRBHVEP-OAHLLOKOSA-N 409.556 1.592 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCCN2CCOCC2)cc1 580177732 LCLAXZMSBYAMQG-GOSISDBHSA-N 402.520 1.901 30 10 HDEE CCc1nsc(N2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586860591 KUGDPAPUWZCYJD-UHFFFAOYSA-N 416.482 1.466 30 10 HDEE N#CCN1CCC(NC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)CC1 609341938 FDOLVOAMCOVQPZ-UHFFFAOYSA-N 421.505 1.714 30 10 HDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CC[C@](F)(C#N)C3)ccc21 615823656 UFLGHURNDVBTPC-IBGZPJMESA-N 402.430 1.421 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)s1 619106851 DLHOQOIMIGQJTE-UHFFFAOYSA-N 419.532 1.069 30 10 HDEE C#CCn1ncc(NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(Br)c1=O 702602860 PMLPFLMAEDNZJO-IBGZPJMESA-N 417.307 1.688 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cn1 730145248 YLWJVESFKVWRAM-HOTGVXAUSA-N 422.555 1.081 30 10 HDEE COc1ccc(C[C@@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732462039 DLIIYNGXTWFWIP-NIVDNSEKSA-N 402.451 1.460 30 10 HDEE CCCCCNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732495112 QPLSPTSKIUVIEF-MJGOQNOKSA-N 410.474 1.477 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Br 732647694 KEULZPVMSJAHGW-CYBMUJFWSA-N 412.309 1.665 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCN1C1CC1 732669670 NXJWJVKHVKBELA-CQSZACIVSA-N 416.425 1.340 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1NC(=O)c1ccco1 732706668 MFPKHNLRIGJXHW-QGZVFWFLSA-N 421.457 1.978 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 733672830 CUVFCUXZNRCZQO-UHFFFAOYSA-N 421.519 1.726 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CC1 737166442 DCNGYCZQDKLDGA-UHFFFAOYSA-N 420.473 1.276 30 10 HDEE CCc1cnc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)s1 745813240 JZEVMERZXTUQNU-FOCLMDBBSA-N 404.496 1.064 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1cccs1 756684211 GKNSMCBAYHZDCI-VWJITQGSSA-N 420.491 1.108 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 774248424 RUIOUOWJLFKCQG-HOCLYGCPSA-N 402.476 1.553 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)[C@H]1CCCO1 775330207 PTKKREGRSZEDKS-RCCFBDPRSA-N 422.503 1.013 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC(C)(C)C#N 779255298 FUNVNSOQYHMXNZ-OAHLLOKOSA-N 411.480 1.314 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)nc1 780915687 PEDXJSSPNAIXHL-HXUWFJFHSA-N 408.458 1.902 30 10 HDEE C#CCOCCC(=O)NS(=O)(=O)c1cc(OC)c(Br)cc1OC 781698239 RJHKFXKPWIAZDB-UHFFFAOYSA-N 406.254 1.311 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 790105075 PPEUXHXEJQXDLN-SZMVWBNQSA-N 400.479 1.055 30 10 HDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC1CCN(Cc2ccccc2)CC1 798744778 BXLZKYMECOYFMW-CVEARBPZSA-N 410.478 1.423 30 10 HDEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 805232071 ZAVHLLUVBILNIG-YJBOKZPZSA-N 401.463 1.031 30 10 HDEE Cn1ncc2c(NN=Cc3ccc(S(N)(=O)=O)c(Br)c3)ncnc21 807962947 KMWONQWKCZZFHR-UHFFFAOYSA-N 410.257 1.219 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)CC2(C#N)CCC2)CC1 809808625 BDIQYHBFQDPNTD-UHFFFAOYSA-N 400.545 1.542 30 10 HDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 813561813 PFGZZJBRKZLDLM-GOEBONIOSA-N 419.551 1.129 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)[C@H]1CCCO1 814391631 MVACFHBZIXZSKS-DLBZAZTESA-N 400.522 1.080 30 10 HDEE COCCCn1nc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)ccc1=O 1127245390 ZXPLURXMZUYMEW-UHFFFAOYSA-N 411.462 1.666 30 10 HDEE CSCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N(C)C 1129405465 HYLAOSWSHRDRLO-CJNGLKHVSA-N 422.938 1.891 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)nn1 1129930387 IGTZZVWQWUCQOO-CQSZACIVSA-N 406.512 1.153 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1130359167 HSFZIMSZHPRIQT-FQEVSTJZSA-N 416.455 1.760 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cn3nc4n(c3=O)CCCCC4)c2C#N)C1 1131405300 BEDVPXWIQQKNHM-UHFFFAOYSA-N 414.491 1.248 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1133527815 QOFCPMLRFOIZMR-IRTFSXLWSA-N 408.495 1.882 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1=O 1141312429 IJGYCSXTMUORQW-UHFFFAOYSA-N 402.252 1.377 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N[C@@H]1CC[C@H](C#N)C1 1142772822 ADLUWPHEGNJLCL-AALSBFMBSA-N 411.524 1.465 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(Br)cccc2[N+](=O)[O-])CC1 1144026130 JCBBQNMLVNKNBP-UHFFFAOYSA-N 423.267 1.255 30 10 HDEE O=C(NCC#CCO)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1155732835 DHYYBIBSELDOFX-UHFFFAOYSA-N 412.261 1.742 30 10 HDEE Cc1ccc(C(=O)NCc2nc3c(s2)COCC3)cc1S(=O)(=O)NCC#N 1156402033 DVFKDNDLFVAGAX-UHFFFAOYSA-N 406.489 1.256 30 10 HDEE C[C@@H](CC(=O)Nc1nc(CN(C)C)cs1)/N=C1/NS(=O)(=O)c2ccccc21 1161058893 DARSXKKQUHOFDT-NSHDSACASA-N 407.521 1.661 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)C3CCC3)nnc12 1161636318 SIUVLVAQAPMDDE-OAHLLOKOSA-N 413.503 1.600 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@@H](c2ccccc2)C2CCCCC2)c1=O 1189745873 MZNKNLLMLNINES-FQEVSTJZSA-N 410.474 1.312 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CS(=O)(=O)c2ccc(C(=O)OC)cc2)c1 1190193219 LXHIICAQRVYFQU-UHFFFAOYSA-N 400.412 1.577 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)cc(Br)c2)CC1 1216758497 PCGBVLMYGSQCQA-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 1267710795 ZIRHCLWUMPUISH-OAHLLOKOSA-N 404.434 1.563 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CC)C(=O)C1 1286494485 MODSPOVFZPLSPU-UHFFFAOYSA-N 420.583 1.622 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286687909 UADQFCIOOWZEMG-UHFFFAOYSA-N 419.555 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](Oc2ccccn2)C1 1286785109 FDHZNJOQQXBGSX-INIZCTEOSA-N 407.478 1.639 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1286785564 GOYMIBYPTBUIOP-GOSISDBHSA-N 422.489 1.531 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC1CC1 1287471170 JLWHECOMUOHRJJ-UHFFFAOYSA-N 422.537 1.596 30 10 HDEE C[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1289053374 VOGXCHIADZCDDD-APWZRJJASA-N 414.422 1.388 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1)C(C)C 1289142774 HHXDKKVQVSLVMR-UHFFFAOYSA-N 410.492 1.727 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1296144966 BQWSRJHGRIPWQN-KRWDZBQOSA-N 423.521 1.206 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1300440240 QGVKXDHKLSUTAV-KRWDZBQOSA-N 413.522 2.000 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1300498822 NJHHIQRYXZQBEI-KRWDZBQOSA-N 421.567 1.260 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1300554842 JZJKEPPAZCUXKZ-PMERELPUSA-N 424.530 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCS(C)(=O)=O 1300595172 INJJNJVJNFFOAM-UHFFFAOYSA-N 416.503 1.373 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSC(F)(F)F)CC1 1300681741 ATDGLAVKXFKNGZ-UHFFFAOYSA-N 404.462 1.425 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC[C@H](C)C2)CC1 1300695423 ABQTVNWJDATAQZ-FQEVSTJZSA-N 424.597 1.946 30 10 HDEE C=CCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473676 HMCWRTKJBUIFAT-SOUVJXGZSA-N 404.515 1.937 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(C)C)C1 1301478099 ICVNMJHBVPHSLQ-INIZCTEOSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2F)C1 1301496701 FPGFPTJHNXGFOD-SFHVURJKSA-N 423.452 1.754 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1301497762 CYRFQVACTFEEIE-IHRRRGAJSA-N 417.432 1.978 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301498981 VVBHXJKBSHIJLP-UHFFFAOYSA-N 424.571 1.098 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301508653 PJGDVITVRFVNNE-MRXNPFEDSA-N 402.524 1.338 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1301553501 MYXLQOULWMFCIE-CVEARBPZSA-N 405.524 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)OC)C1 1301578020 XDHGVJRVAUXUPG-HNNXBMFYSA-N 422.507 1.837 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1301608216 XRLYODFHXMGNMT-UHFFFAOYSA-N 416.551 1.354 30 10 HDEE COCCOCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302229649 LBOBBSIACPCHGU-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1303207474 YTQDBHSGIJCAQB-WFXMLNOXSA-N 420.533 1.971 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1303323227 YQMKYCIDAHNVRC-AWEZNQCLSA-N 411.436 1.094 30 10 HDEE N#Cc1cccc(CNC(=O)Cn2nnn(-c3ccc(Br)cc3)c2=O)c1 1307399544 MFPHLQJDZWEAAL-UHFFFAOYSA-N 413.235 1.380 30 10 HDEE CCN(CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1313710486 DWCOTUOLKUFFJV-MRXNPFEDSA-N 412.498 1.386 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1 1315427161 PJFRKGUUPUPZKP-SFHVURJKSA-N 412.494 1.845 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1358919300 ZCCNRYITFVZXLH-CVEARBPZSA-N 407.478 1.301 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1358927240 RGBCSPRRYKIHRQ-UHFFFAOYSA-N 421.509 1.526 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1358980852 MKYLVKZLRCWGCY-UHFFFAOYSA-N 417.560 1.531 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359059324 JOWASEDCOACYCQ-QGZVFWFLSA-N 402.568 1.933 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359203461 PKUXOPGSUAGHOC-DNVCBOLYSA-N 407.540 1.253 30 10 HDEE CC(C)(C)c1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)s1 1359500685 FDFKSTIFGGMQGU-UHFFFAOYSA-N 422.518 1.950 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)C1=O 1435245217 IZRKDIUOGBXRDV-HXUWFJFHSA-N 424.498 1.409 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)c1 1443780243 WFMLSTBULGVYAF-MRXNPFEDSA-N 419.409 1.797 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)n[nH]2)c1C 1445061624 KBBWSYKSJDGKOK-HNNXBMFYSA-N 422.493 1.653 30 10 HDEE C#CC[C@@]1(C(=O)NCCCn2ccc(O)nc2=O)CCCN1C(=O)OC(C)(C)C 1456910223 IBDPJPSFSPFCAA-FQEVSTJZSA-N 404.467 1.248 30 10 HDEE CC(C)(CC#N)CNC(=O)c1ccc(I)cc1-n1cnnn1 1460807930 KDFPKEJZBDCWSI-UHFFFAOYSA-N 410.219 1.937 30 10 HDEE O=C1C=COC2(CCN(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)CC2)C1 1460857487 KMWAVNGWYSHDRK-UHFFFAOYSA-N 414.462 1.581 30 10 HDEE COC(=O)c1scc(C)c1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460883263 PUQXSEIAOSWBBP-NVGCLXPQSA-N 411.505 1.040 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1463960255 IXHLJSQCUXGWEO-QRQLOZEOSA-N 406.504 1.697 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)cc1B1OC(C)(C)C(C)(C)O1 1465292950 DUJHWXGPDSFDBD-LPHOPBHVSA-N 401.360 1.658 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1465815860 YOBBLJVEBZQVAG-UHFFFAOYSA-N 421.497 1.826 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@H](c3n[nH]c(C)n3)C2)c(C#N)cn1CCOC 1466104196 CLVAOKXHJGIZKW-ZDUSSCGKSA-N 415.454 1.631 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C(N)=O)[C@H](C(N)=O)C1 1466816185 ICVICMYMHRAFHM-GHMZBOCLSA-N 411.256 1.064 30 10 HDEE C=CCOCCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1470174368 YVZNECAZXWSWCM-HKUYNNGSSA-N 410.536 1.643 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c(F)c1 1471134261 SJQLSCRFBWYUDY-HXUWFJFHSA-N 418.425 1.471 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1471225603 SWDKEHSIDITLNI-DLBZAZTESA-N 409.527 1.866 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 1471832939 LWHMZDWSJXABHF-KRWDZBQOSA-N 401.488 1.586 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)s1 1472227815 PJZYYDUDHKAYMS-HZMBPMFUSA-N 412.455 1.839 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)c1 1472272210 ZDKGUVQFAUVNSY-SJORKVTESA-N 406.504 1.838 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1475929495 DFIOWWZVOBRYBU-HUUCEWRRSA-N 400.460 1.993 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OCC)C1 1476204450 HSNPYJOJVJXQTH-HNNXBMFYSA-N 408.524 1.555 30 10 HDEE CCC(CC)(CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1478857998 HZQHFKBRLNCXTC-UHFFFAOYSA-N 419.482 1.535 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)C1 1479312600 IYHKODVIBYGEQH-SFHVURJKSA-N 420.554 1.896 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493243626 HOOGOBNACHVFAK-ZJEMCRNISA-N 414.510 1.791 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1Cc1ccc(C#N)o1 1504970130 JNQNGSBZXKGAPI-VBKZILBWSA-N 414.466 1.374 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCCO)CCN1C1CC1 1505321067 FOCZXDHGHYBJKM-SFHVURJKSA-N 415.542 1.243 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCOC1CCOCC1 1507516241 AYLJTCZFEHDAOG-UWJYYQICSA-N 406.527 1.974 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507572044 WBYKMUKBTFQZLK-DJPFJPOOSA-N 401.511 1.522 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507632681 PBKLULXOAUMBKM-HOTGVXAUSA-N 419.507 1.144 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(CC)n1 1507713169 ZPDKCHBHNZENGK-OAHLLOKOSA-N 402.524 1.577 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1=CCCOC1 1507713207 ASUWHUDJUXCKAL-UHFFFAOYSA-N 406.490 1.949 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2CCCO[C@H](C)C2)CC1 1507721658 KTUDPDDKMGRDTA-LJQANCHMSA-N 402.587 1.832 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507830213 XCGOQGNQQMKDRV-XHSDSOJGSA-N 404.515 1.173 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507951218 DAFJXQNFWRVNHP-RTBURBONSA-N 416.570 1.914 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1508006744 VNPPOHYLCHUEMX-HXUWFJFHSA-N 418.567 1.737 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nncn2C)C1 1508116479 NYHUSNGZMKULJG-CQSZACIVSA-N 400.874 1.952 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CCO1 1508373411 BDINMXNOEJXILP-LJQANCHMSA-N 421.461 1.503 30 10 HDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1512248955 FAVFYMOBOQSUQH-OAHLLOKOSA-N 418.523 1.609 30 10 HDEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1518728722 HJXMZOBLYIVVTH-CZUORRHYSA-N 424.502 1.381 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCSCC1 1519259310 MHNLEFGFTMJATQ-INIZCTEOSA-N 408.572 1.791 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1520658913 AEFXCIRNZUHAKY-YKTARERQSA-N 407.540 1.735 30 10 HDEE N#CCNC(=O)CNC(=O)CCc1cc(Br)c(Br)s1 1531943886 OVQMVRIXKOAUDR-UHFFFAOYSA-N 409.103 1.962 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1539216473 SNFRJFPXVVYXEP-OAHLLOKOSA-N 420.564 1.505 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1539222573 WQRNPOLBWOQJBG-SJORKVTESA-N 424.567 1.471 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)NC(C)C 1539405867 ORVRJIZBIQWBQO-UHFFFAOYSA-N 413.478 1.675 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)COCC)CC1 1539459313 DAYRDWYGZPTUSF-UHFFFAOYSA-N 402.543 1.218 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539884002 AHRBDNNUNHIKPJ-MJGOQNOKSA-N 415.586 1.658 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCn2ccnc2C)C1 1540895043 KGYMTEREPVBUIA-SFHVURJKSA-N 413.526 1.777 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1542895081 ZFWQNBSTSBHGST-OALUTQOASA-N 412.534 1.198 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1545145058 BGNUMRFRDQHUED-BTYIYWSLSA-N 407.478 1.727 30 10 HDEE CC(C)COC[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1545570589 PAMKRADKURFJJG-GWWPLSDWSA-N 409.527 1.923 30 10 HDEE CCN1CCN(CCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1547733309 JKAMWKQJIYVGLN-UHFFFAOYSA-N 423.569 1.207 30 10 HDEE CO[C@@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C1CC1 1554578787 BFFAUXJGSXNGRC-UGSOOPFHSA-N 410.544 1.443 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCN2CCO[C@H]1C2 1556736160 YUYPVDYUDIUZCC-PZLQNSFZSA-N 418.538 1.705 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1557531781 ALMYSEPNYPCFAC-UHFFFAOYSA-N 414.487 1.710 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3ccc4c(c3)NC(=O)CNC4=O)CCOCC2)c1 1557540621 YCFINOOIVWQFDC-UHFFFAOYSA-N 404.426 1.676 30 10 HDEE C=CCCC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1558383968 ZQLGQZMMDRTCSB-OAHLLOKOSA-N 407.492 1.519 30 10 HDEE N#CC[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 1558442946 RIFAPMOSGKCYGN-AWEZNQCLSA-N 421.397 1.477 30 10 HDEE C=C(C)COCCNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1564323486 OMQDCBSWJIVZKX-MRXNPFEDSA-N 409.527 1.943 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(CC#N)cc3)C2)cc1 1564719371 FWBQLXPZSNQIHC-UHFFFAOYSA-N 414.487 1.634 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)nn1 1564958254 JJEJTCBKUZXSKQ-UHFFFAOYSA-N 408.462 1.682 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)Cc3ccncc3)C2)C1 1567764053 ZJVBHWGSFJBDPH-RKQJOMJXSA-N 414.506 1.888 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)NCC3(C#N)CCCC3)cc2)CC1 1583461952 AIHOUNIBKKDDAM-UHFFFAOYSA-N 418.519 1.353 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)CC1 1585000302 WJOWRDRWPWIFDR-IBGZPJMESA-N 421.419 1.677 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2(C#N)CC3(CC3)C2)CC1 1585849976 MZNMNLSRBBVSBM-UHFFFAOYSA-N 402.520 1.323 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)c1 1587213431 PXKAULQORYSWPW-PBHICJAKSA-N 410.492 1.239 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1587632177 JHFOVLXBRQXWOC-WMZOPIPTSA-N 417.535 1.956 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)cc1 1587796946 QXUQRJOJWQZMRG-FQEVSTJZSA-N 411.527 1.911 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1587808540 TYUYJTDVQXBVJB-KRWDZBQOSA-N 403.527 1.864 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1C 1587909948 YNLPUHSUDFHWNS-INIZCTEOSA-N 405.524 1.735 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588053214 BHZXKHJMQMEQAB-SJORKVTESA-N 408.524 1.001 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(CCc4cnccn4)CC3)CC2)o1 1588071594 IPUGEBQABRUDAA-UHFFFAOYSA-N 409.494 1.248 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)nc1)C1CC1 1595070595 FUKIRMNDWZCJQN-YJBOKZPZSA-N 412.494 1.699 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(C)c1C 1595297473 QTFFXWZEPOAAAB-UHFFFAOYSA-N 413.482 1.735 30 10 HDEE C=C(CCN(C)C)C(=O)NC[C@H](O)COc1ccc(I)cc1 1595417349 BOUPZCFOQRTLBX-AWEZNQCLSA-N 418.275 1.655 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(CCO)cc3)C2=O)cc1 1603580990 FELLQMNHKSJLIS-LJQANCHMSA-N 406.442 1.614 30 10 HDEE CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1607241484 YHWZVFPZNWJPIA-SFHVURJKSA-N 410.526 1.974 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C[C@H]3CCCO3)C(=O)OCC)cc2C1=O 1611571257 PVFTZJBSJRKOSH-RHSMWYFYSA-N 400.431 1.699 30 10 HDEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 1617215733 HTMYCWLHEQLKLS-MGPUTAFESA-N 414.506 1.897 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CCO2)cc1 1617908221 DKQRZMSKIIOMAX-LJQANCHMSA-N 404.426 1.930 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)c(Cl)c1 1618198247 OKEZKOAXLOEZRH-UHFFFAOYSA-N 415.885 1.443 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(CCN2CCOCC2)[C@@H]2CCSC2)c1 1618931634 LZRSVPNJIFGGDI-GOSISDBHSA-N 409.577 1.472 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1619615659 HXRDTFYOHXUJAA-NVXWUHKLSA-N 400.458 1.893 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCc2nccn2C1 1619912162 TWVMETOCDHSGND-INIZCTEOSA-N 409.498 1.504 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1cccc(Br)c1C)C(=O)OC 1622074262 ZAWOLFPNBMXFQL-AWEZNQCLSA-N 406.298 1.921 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1622372272 ISOZAYAAWSKBDY-UHFFFAOYSA-N 401.529 1.023 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)C1CCC(F)(F)CC1)c1cc[nH]n1 1627081508 NGSFXUCIRWJBBW-UHFFFAOYSA-N 400.382 1.204 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OC)nc2)s1 1630483357 RBXYTOXACQJRRE-UHFFFAOYSA-N 409.489 1.253 30 10 HDEE CCOC(=O)c1nc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)sc1C 1631580739 JBSYKBMIPNUDPU-UHFFFAOYSA-N 422.488 1.991 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc21 1632328438 GUNZYTKHQYEQQO-UHFFFAOYSA-N 421.432 1.683 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Br)cn2)cc1 1632353359 NPRQZIAHARAGNX-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)[C@H](C)c1ccccc1 1633802458 DUDGSMPZEFJXJB-VCBZYWHSSA-N 401.488 1.506 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 1634600781 AFJMAPCFRSCUFY-HNNXBMFYSA-N 400.401 1.292 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)[C@@H]2CS(=O)(=O)C[C@@H]21 1636353942 MVKQEYPZAZJSKK-YJNKXOJESA-N 412.512 1.107 30 10 HDEE CCS(=O)(=O)c1ccccc1CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1637724619 XFAZIBPMDJTNIG-HNENSFHCSA-N 405.476 1.055 30 10 HDEE CC1(C)CNC(=O)c2c(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)coc2C1 1639973873 OQKNSDPQIIECQS-KRWDZBQOSA-N 420.469 1.994 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cc(Br)ccc3Cl)C2)c(=O)nc1O 1640636387 DPHOWWKFXBYANS-UHFFFAOYSA-N 423.654 1.862 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H](n2nncc2I)C1 1643457854 BIPSDFCQGWBLFY-LBPRGKRZSA-N 403.268 1.554 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2ccccc2F)[C@H](C)O)cc1S(=O)(=O)NCC#N 1644393376 ZECCXVWRQGRNGX-SCLBCKFNSA-N 405.451 1.788 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1644465985 NIGQAVJKLQWZBC-CVEARBPZSA-N 405.499 1.744 30 10 HDEE CCC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1644510962 HWRBEPYZTMGPLJ-KRWDZBQOSA-N 403.552 1.448 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 1644815293 JAVVTAMFZVUIAE-VAMGGRTRSA-N 406.571 1.370 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCCCC1 1648790482 KMLCRCUWAWHDNK-UHFFFAOYSA-N 416.478 1.886 30 10 HDEE Cc1cccc(C(=O)NCCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1649552784 IONAGTBLNWQYJD-UHFFFAOYSA-N 417.473 1.860 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Sc2nc3ccccc3s2)CC1 1650846286 QEHRUHMKEIBHJW-CYBMUJFWSA-N 424.573 1.389 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCCC1 1652864612 ZURYGMDTYDYNNS-ZDUSSCGKSA-N 409.936 1.564 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)c1ccccc1 1664079797 APXVMIBAEPNOPV-INIZCTEOSA-N 412.558 1.883 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1669195991 FLIQIJODWOHCRJ-SECBINFHSA-N 410.261 1.980 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 1672497093 BQAWXRQYMPCZFF-UHFFFAOYSA-N 415.475 1.568 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)NCC#C[C@H]3CCCCO3)C2=O)c(OC)c1 1672547701 GIYSUKKUWXKHHW-MJGOQNOKSA-N 415.490 1.676 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@H]1C(C)C 1690019335 GFYAULGTHLBYEP-OTWHNJEPSA-N 418.563 1.704 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCNS(C)(=O)=O 1690243674 NVXJKMPGVMVMTR-DOTOQJQBSA-N 422.555 1.250 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1690250022 CDODBALSKLOAEU-LJCCNALRSA-N 403.527 1.995 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690351324 PDHGMEGXAVDJSQ-DLBZAZTESA-N 422.961 1.700 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690432555 GMMZBQSPNPUSKJ-GJZGRUSLSA-N 409.556 1.449 30 10 HDEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690465007 PDNLNHHMZIKSCN-UHFFFAOYSA-N 401.519 1.168 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690725226 IVXXYYKAAHCNFA-QGZVFWFLSA-N 423.583 1.669 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC(C)C 1694127562 JZIKFBARKZVQKI-INIZCTEOSA-N 410.526 1.909 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@H]2CO)cn1 1696851744 ZDLLRHVKRXOQHM-IBGZPJMESA-N 412.542 1.655 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1705578424 RPLAXYCZDIAOFZ-UHFFFAOYSA-N 415.519 1.354 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1705603760 UWHGOHKVSRYTPY-GOSISDBHSA-N 402.543 1.330 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1705624887 RXZGXOMZKODUDC-QGZVFWFLSA-N 413.503 1.337 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)C2CC2)CC1 1705647403 DDJJPEBTXGCWOO-MOPGFXCFSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705661484 CODSYUTYLXOSMC-IRXDYDNUSA-N 405.568 1.891 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705904283 LHZTZVPHGPFUID-QGZVFWFLSA-N 402.543 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1705939295 VGNXHZGRORGVGO-UAGQMJEPSA-N 410.540 1.734 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1705944410 GJCYYDVSGBJBOF-UHFFFAOYSA-N 404.540 1.498 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1706746476 BGAZQXVLNZKMIW-PMPSAXMXSA-N 424.527 1.042 30 10 HDEE CC[C@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708327885 IJVKPIPDIDUJEG-QFIPXVFZSA-N 419.489 1.960 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1709902766 ZBNCWZVSZLKVIX-IAGOWNOFSA-N 407.478 1.010 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H]1C 1710217050 WGELQVQXBMKJQV-JKSUJKDBSA-N 411.510 1.832 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1712372672 NODWIMZBEXNAQR-IEBWSBKVSA-N 424.505 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722285822 YHHTVBSDRLZWOR-QRWLVFNGSA-N 402.520 1.515 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722370529 CGCOWESWKQYDGS-HUUCEWRRSA-N 414.478 1.282 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1722397549 RRBWTVPTBXPBLG-LJQANCHMSA-N 421.501 1.771 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1722417499 JULRWYGQFSXPPR-RDJZCZTQSA-N 417.535 1.953 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cnn(Cc3ccccc3)c2)CC1 1722441338 LTOSWODUPIHGGX-UHFFFAOYSA-N 419.533 1.863 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1722455638 MCXFTPBSVDJSHS-UHFFFAOYSA-N 424.530 1.654 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722457646 IOQOPSXVIIGOSZ-INIZCTEOSA-N 413.551 1.843 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1722476240 ZFLDUZSEYWCTFQ-JKIFEVAISA-N 414.478 1.597 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1722537555 CGXCIEYIJDICKJ-XLIONFOSSA-N 405.499 1.640 30 10 HDEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722603987 RJPXDEJXGRCYJC-CVEARBPZSA-N 402.499 1.023 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1722618372 QAYKJKHMOOEHQR-MRXNPFEDSA-N 412.556 1.982 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1722850114 BYPZLPMSJOFITB-RTBURBONSA-N 421.505 1.590 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCSC2)CCOC1 1722863163 IDSQRNYTCKFUQM-LZQZEXGQSA-N 409.556 1.783 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1726401840 FABKALOPXNFJAO-HNNXBMFYSA-N 418.498 1.359 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1729190545 HPBOMAOKPNCOGM-CABCVRRESA-N 421.523 1.944 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1729780410 YDMKNRLCBFDNTD-OAHLLOKOSA-N 409.450 1.652 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)cc1OC 1730094087 CAAYPBMMEBEAFN-KRWDZBQOSA-N 412.494 1.787 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1740556839 WPMPEBFHZFWDNJ-MSOLQXFVSA-N 407.522 1.695 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC 1740558767 HJKFNVHONWMFNU-HNNXBMFYSA-N 407.565 1.886 30 10 HDEE C#CCCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1740579713 NPANDCYYPKCUGV-NRFANRHFSA-N 419.526 1.029 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740623293 QZMOPVJIWLUJAZ-QZWWFDLISA-N 419.551 1.292 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1740623890 CHRCMJQCODVBRI-QGZVFWFLSA-N 400.504 1.611 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1740628660 SFMLIRKXNPYEDG-HOTGVXAUSA-N 412.581 1.585 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740628925 WNSNVQONUIXDRM-IXDOHACOSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)CC 1740651007 WBMYKPMHUNAXAY-SSEXGKCCSA-N 422.518 1.152 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@@H](C)C1 1740708867 DIFPNVIXNRAJJL-IHRRRGAJSA-N 417.626 1.585 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740717260 NPUIMXCZXFFCCN-UHFFFAOYSA-N 418.611 1.587 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@H]2C)CC1 1740840233 VCBGGAXQOVRRSS-OIISXLGYSA-N 409.556 1.669 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740877244 ZGVWQGHRQQXYIY-IRXDYDNUSA-N 411.572 1.856 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1740959563 ZWFLXEQRCDNIIP-UHFFFAOYSA-N 420.477 1.070 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1740980356 JELFEGPCOQYCFZ-ZCNNSNEGSA-N 419.570 1.920 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)C1 1740981380 VSASDALJSULPRN-RBSFLKMASA-N 409.581 1.859 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1740983008 ZOCVUSSKHOJMLY-UONOGXRCSA-N 420.482 1.243 30 10 HDEE CCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1747362527 DLZJDUDRNZYJKM-HXUWFJFHSA-N 414.489 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1748637693 DWCFQKWHQOJKET-MRUHUIDDSA-N 410.478 1.721 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1748812342 SUUQFHDDKVOXQY-KRWDZBQOSA-N 422.514 1.719 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748926254 ROGXMVSMWMJRRK-SFHVURJKSA-N 411.506 1.757 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1749020031 IVTXKQUUSHDLPI-UHFFFAOYSA-N 414.535 1.518 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1 1749126792 GSWSPVXJTMXMPE-VQIMIIECSA-N 413.526 1.752 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1749505865 BMTNSHFLCJOOOP-KRWDZBQOSA-N 403.575 1.597 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H](O)C2)C1 1749717383 KIJQOIASCOTATC-FGTMMUONSA-N 403.527 1.733 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[C@H]1CC 1749738562 PXPHDVMSNHHMSU-JKSUJKDBSA-N 409.556 1.626 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1750069010 FHVHNACYFQZYMK-QGZVFWFLSA-N 413.574 1.548 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1750385587 RWEGEFKCZUGWCQ-UONOGXRCSA-N 415.466 1.344 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1751666235 RXAOYLLUWJNLMF-LJQANCHMSA-N 421.498 1.757 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1760126818 JTCVNRFPUOSKJA-SOUVJXGZSA-N 404.515 1.643 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1760143862 VJDGHNDKRAELGT-SFHVURJKSA-N 402.543 1.475 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760151919 ATNCOXMCHRGYKX-UHFFFAOYSA-N 403.494 1.882 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1760171920 RYWZQFDGACOVNQ-UHFFFAOYSA-N 406.446 1.417 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760173668 CHRQIKKNMDIEAO-SFHVURJKSA-N 408.911 1.141 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccc(C)c1 1760177299 GNXHLRWKDRIGGU-UHFFFAOYSA-N 405.506 1.948 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181890 DAWOYIQMMBSEGR-GOSISDBHSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760190768 YSBOSQXAPFNYQA-DLBZAZTESA-N 416.551 1.384 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC=CCC2)CC1 1760269046 WKXLALUPRYINPK-AEFFLSMTSA-N 410.522 1.551 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1760351454 HIHFFXYAIPPDMG-UHFFFAOYSA-N 420.558 1.750 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760388537 QISGYFKOJZOFKV-IBGZPJMESA-N 403.508 1.355 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760421953 FHPPPSSZVLPSTM-IHRRRGAJSA-N 413.500 1.359 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760526722 GIAMSIVZHQVEPW-UHFFFAOYSA-N 416.555 1.409 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOC[C@H]2C)C1 1760541579 FAFVFZWCNGWDJJ-CEXWTWQISA-N 405.543 1.674 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn2ccsc2n1 1760688317 FUINGSNXHRTOJD-RYUDHWBXSA-N 422.540 1.242 30 10 HDEE CCOc1ccccc1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1766061902 FAEKPVMKLUZYFU-DLBZAZTESA-N 410.478 1.599 30 10 HDEE CCOCc1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1766265370 SDMXFSSFUSXYEI-NOJWBWKLSA-N 402.499 1.966 30 10 HDEE CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1766407853 QNLNRCYOSRNAJZ-VHEBQXMUSA-N 414.441 1.979 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1767481781 DRRJAYRVGMIROH-APWZRJJASA-N 402.430 1.241 30 10 HDEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768131012 BOUKCQQBRRLGPC-ZWKOTPCHSA-N 410.478 1.517 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1769415039 BHIVOTRFYNEXAD-QGZVFWFLSA-N 422.489 1.875 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCOCC1 1769846710 DKWGWRJFBIOITP-UHFFFAOYSA-N 417.485 1.916 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)CCCO1 1770044053 KXJMPYYXQLRTJT-HGHGUNKESA-N 418.542 1.748 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCCO2)cc1 1770733269 VUFWJXINEHOCKG-IBGZPJMESA-N 424.505 1.857 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1770803447 VOINVCZRFGMPNO-CVEARBPZSA-N 416.457 1.415 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1771189605 WLNCRKGKLVKVGJ-GPMSIDNRSA-N 410.494 1.165 30 10 HDEE C=CCN(C(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn12)[C@H]1CCN(C)C1=O 1850856270 RAIWMVFECVRGJE-HNNXBMFYSA-N 423.477 1.691 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1 1851263563 OFKVJRYVJLLWSR-UHFFFAOYSA-N 402.451 1.977 30 10 HDEE C=C(C)CN1CCN(C(=O)c2nccnc2N2CCOCC2)C(=O)C12CCCCC2 1853676410 KJBFZEVFTRGWLZ-UHFFFAOYSA-N 413.522 1.877 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(C)c2)C1=O 1853789232 CRRXAOOHZHCTGE-MOPGFXCFSA-N 413.518 1.782 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853944512 IRIPZAICSCFNCF-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4cc(C)no4)CC3)CC2=O)CC1=O 1853961113 XJABLOXGGCYHLP-MSOLQXFVSA-N 414.506 1.605 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC[C@@H](Cn4nccn4)C3)CCC2=O)cc1 1854691736 UTNSYZSUNCYEAQ-RTBURBONSA-N 406.490 1.941 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2nnc3ccccc32)CCN1Cc1ccc(C#N)cc1F 1855004336 GPAVICVORZTONL-AWEZNQCLSA-N 406.421 1.702 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855607268 JGMGPCYTQZJJNR-QZTJIDSGSA-N 403.523 1.431 30 10 HDEE C[C@H]1CC(=O)N(C(=O)Cn2cnnn2)c2ccccc2N1Cc1ccc(C#N)cc1 1855769688 LIGILACKVLHACZ-HNNXBMFYSA-N 401.430 1.903 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855899279 OLMPJZHYIMHUIZ-MRXNPFEDSA-N 404.492 1.392 30 10 HDEE CCOCC(=O)N1CCCC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1856194402 IMLJMMRHWYJFCH-LJQANCHMSA-N 414.506 1.988 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540057 HIBPJTSGZXDWSY-RHSMWYFYSA-N 419.478 1.353 30 10 HDEE Cc1cccc(OCC(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1857108766 APKNRYZQBRSRCS-LJQANCHMSA-N 406.442 1.531 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 1857259268 XSQGGAKCDHGDNO-QGZVFWFLSA-N 405.520 1.334 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c(OC)cccc2OC)C1)[C@@H]1CCN(C)C1=O 1857265301 UTMBPFKXYHONIF-JKSUJKDBSA-N 415.490 1.411 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)CC2=O)cc1 1857323803 FYTUCHNPOQQEME-VQIMIIECSA-N 410.474 1.411 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCOCC2)=C(N)Oc2c1c(C)nn2C 1865227141 CFWDCVAFTIBAPE-SFHVURJKSA-N 410.474 1.847 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c1 1866233710 JBKXRXZKNUILHN-WSQZTTQJSA-N 404.444 1.066 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2F)c(=O)cc1CN1CCN(C)CC1 1870755616 ROJGFJYYYLPAAM-UHFFFAOYSA-N 414.481 1.938 30 10 HDEE C=CCN(CC=C)c1nc(=NCCO)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871555334 YRDDMNGBMFQZFS-UHFFFAOYSA-N 405.300 1.804 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCCN(CC)CC)CC2)CC1=O 1872917738 JUXKPIUUWCWLBU-IBGZPJMESA-N 406.571 1.498 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(F)cc2)cc2c(N(CCO)CCO)ncnc21 1873594141 NWVOMHJRNNOWEF-UHFFFAOYSA-N 413.453 1.477 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCCCO)ncnc21 1875229117 PKSVNEQXWUCEKR-UHFFFAOYSA-N 414.510 1.529 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cncc(F)c3)CC2)CC1 1889238933 WXTZURCMRSJKGB-UHFFFAOYSA-N 402.514 1.871 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CC1 1892270697 NSWXAJLALLDTBY-UHFFFAOYSA-N 411.412 1.652 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)C[C@H]1OCC 1982302441 IXDAIKSRLBUDSX-IJLUTSLNSA-N 413.334 1.885 30 10 HDEE CN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C[C@H]1C#N 1985181303 UQKZTDVXKWZFTM-LJQANCHMSA-N 415.538 1.679 30 10 HDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2010402586 SLJUYYIHPPTYKO-QKPAOTATSA-N 423.363 1.992 30 10 HDEE C[C@@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2015913174 QZIDBDUMEKAOFV-DGCLKSJQSA-N 424.282 1.966 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncccc1C#N 2066541874 KBBIALQPKQCBEC-GOSISDBHSA-N 402.407 1.719 30 10 HDEE C#CCn1ncc(NCc2c[nH][nH]c2=NC(=O)OC(C)(C)C)c(Br)c1=O 2105972440 JRXQMGKRHSZPHG-UHFFFAOYSA-N 423.271 1.743 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108230344 YCEBSPALKALOEW-IBGZPJMESA-N 424.494 1.744 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC(C)(C)C 2118171488 VOUMATXCHPCFIB-RUZDIDTESA-N 402.498 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NC(=O)C2(C#N)CCOCC2)CC1 2174818324 YLPIJAUHKODXEX-HHHXNRCGSA-N 400.501 1.399 30 10 HDEE C[C@@](CNC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(CC(=O)O)C(F)F 2180573159 BQSHWQMWRKIJNW-UWVGGRQHSA-N 402.238 1.848 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOCCNC(=O)OC(C)(C)C 2243426528 YQRJUPLPPPHQTE-UHFFFAOYSA-N 409.292 1.510 30 10 HDEE CN(CCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247816377 MWSZOBUNKHZHEZ-UHFFFAOYSA-N 413.331 1.366 30 10 HDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2247827954 LGPMQBZURZYYIS-UHFFFAOYSA-N 420.319 1.837 30 10 HDEE CCn1cc(C(=O)NCCN(C)C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247837641 VUYJGCNGKODCDQ-UHFFFAOYSA-N 422.335 1.799 30 10 HDEE CN(CCCOCc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247920165 WWPHYEMMNKXTME-UHFFFAOYSA-N 414.315 1.793 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCNS(C)(=O)=O)sc2Cl)OC1(C)C 2281977685 SSCXHISOZLZDFG-UHFFFAOYSA-N 422.765 1.370 30 10 HDEE CCN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2281998421 OPSARNSZTDICPI-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@](F)(CN)C3)s2)OC1(C)C 2282335570 REALZLFJWSWQKC-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341524 TYXUSVXPEPLRML-YDBLSZJJSA-N 402.347 1.120 30 10 HDEE CN(C[C@H]1CCCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282347186 UKXXPTGZCBWPKK-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282492483 OXCPXIBFEAQUOX-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](O)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282499015 MESKMDAULBSTHF-CYBMUJFWSA-N 403.375 1.959 30 10 HDEE CC(C)[C@H](O)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282505096 YSQZGNIWFXUBEY-OAHLLOKOSA-N 403.737 1.934 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@H]2CO)OC1(C)C 2282506301 QHNHVAFVWXEZTQ-SMDDNHRTSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCNC[C@H]2F)OC1(C)C 2282508000 PKWCHIXLLMGALJ-CHWSQXEVSA-N 404.338 1.167 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CS[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508210 SLZMBKYWEUYETR-ZYHUDNBSSA-N 401.363 1.200 30 10 HDEE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616294 ZKFUJIVCQYYSDL-JQWIXIFHSA-N 401.721 1.657 30 10 HDEE C[C@H](O)CN(C[C@H](C)O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282627394 HUFGWJBNCILZBR-QWRGUYRKSA-N 403.737 1.905 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCN[C@H](C)C1 2282833660 YVBRTRXYTCMKIN-GFCCVEGCSA-N 400.375 1.728 30 10 HDEE CC1(C)C[C@H](CN)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850590 QVCHTSOSVDDVLV-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CNC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852519 QEGXCSOEFMJPLO-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE COC[C@@H]1C[C@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282861295 MEWWTVNYNZNCHE-STQMWFEESA-N 401.359 1.950 30 10 HDEE CO[C@H]1COC[C@@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866294 GXTXYLXORABBIA-STQMWFEESA-N 403.331 1.082 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866560 LRRJUJYYIIAUGJ-VWLOTQADSA-N 421.777 1.686 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@](C)(C(=O)O)C2CC2)OC1(C)C 2284398481 YNIDOOIXVRXKJZ-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)C(=O)O 2284410324 SNRYZLFHBCKKBN-MNOVXSKESA-N 403.331 1.576 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)Nc2snnc2C(=O)O)OC1(C)C 2284415394 NTAVQFFUWGHHDN-UHFFFAOYSA-N 417.299 1.398 30 10 HDEE C=CCN1C(=O)C(=Cc2ccc(O[C@H](C)C(=O)O)c(OCC)c2)C(=O)NC1=S 2294224266 VRGCLWPDBPBRMM-LLVKDONJSA-N 404.444 1.750 30 10 HDEE COc1[nH]c(=N[C@@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2301562868 QYUNRTQFCYYXES-CYBMUJFWSA-N 423.319 1.109 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@]1(NCCC#CBr)C(=O)O 2305979556 CIQDACBEBZLJCO-BDJLRTHQSA-N 405.289 1.847 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)C#CC2(S(C)(=O)=O)CC2)C1 2342087419 CKOKTPVZEXGHFT-YLJYHZDGSA-N 419.499 1.952 30 10 HDEE C#CCCN1CC[C@@H](NC(=O)c2c(Br)c(Br)nn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c1ccsc1B1OC(C)(C)C(C)(C)O1 2369655491 YLUMUTBIXFYNLU-OLZOCXBDSA-N 404.338 1.119 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)O)C1 2370207905 QEBZRNZQOISHSJ-RDBSUJKOSA-N 400.412 1.827 30 10 HDEE C#Cc1c(F)cc(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1F 2370306401 ROWGCGOKKAGARV-CQSZACIVSA-N 402.419 1.823 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 16152631 ZOLSVIRVJMETDK-FQEVSTJZSA-N 405.433 1.945 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(Br)cc2)CC1 22849237 LCXYXINYOXQMAT-HNNXBMFYSA-N 423.355 1.546 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 24843539 HHUKXUHRQNMOFM-CHWSQXEVSA-N 419.434 1.935 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)C(C)C)CC2)cc1 48548244 FWCZQKUFQVQHPJ-UHFFFAOYSA-N 408.524 1.825 30 10 HDEE CN1CCN(Cc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 65043633 JVOKAZKUNSXOEK-UHFFFAOYSA-N 404.518 1.663 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@H]1CCS(=O)(=O)C1 108698165 ARKRJCMKRVVSMV-ZBFHGGJFSA-N 408.545 1.963 30 10 HDEE COS(=O)(=O)OC[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 306146774 OCMWAKKCBQCYLK-SMDDNHRTSA-N 424.262 1.761 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)CC1 409682762 ZRJAVUNMSGMEHC-UHFFFAOYSA-N 420.517 1.760 30 10 HDEE COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 409687686 PCOIBPUGKUYYTR-CZUORRHYSA-N 410.434 1.517 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)CC1 426558051 GFHDVDMRBWEBJO-VQTJNVASSA-N 412.538 1.553 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1cc(C#N)cn1C)c1ccc(S(C)(=O)=O)cc1 431232318 CFQFPCHHXXJNCX-LJQANCHMSA-N 403.460 1.509 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 460932806 ODHDOSLNKLLWTC-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 462411525 QRCFGDMZNYCPCJ-UHFFFAOYSA-N 421.500 1.356 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 465496093 LPSAOKOSPDHWEC-ZDUSSCGKSA-N 401.448 1.034 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1ccn(C)n1 468755922 AFEPCLDTJIYPGQ-ZDUSSCGKSA-N 402.354 1.503 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 470453993 RJNMRSQOOXSFMR-ZDUSSCGKSA-N 410.455 1.716 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C 477026778 SEXQIIYEAJZEMF-UHFFFAOYSA-N 424.295 1.378 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[nH]c2c1 484115899 ZOBIQQMKVZUUCV-GOSISDBHSA-N 416.485 1.724 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503114511 FKSMNDPQTZAPLC-RTBURBONSA-N 411.506 1.749 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c(Cl)c1 503444661 AASUSAKHFJVKMI-UHFFFAOYSA-N 410.927 1.434 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 508826830 OQFCNZJWDJOCIX-HNNXBMFYSA-N 403.487 1.313 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccncc2OC)CC1 508905909 BUPLZBOJRMCOFL-UHFFFAOYSA-N 420.477 1.842 30 10 HDEE CS(=O)(=O)NCC1CCN(CC(=O)c2cn(CCC#N)c3ccccc23)CC1 510208346 MUSVBDMGBAMWKJ-UHFFFAOYSA-N 402.520 1.999 30 10 HDEE C[C@H](C#N)CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 532821588 VKAUQKFPJGCNDG-MRXNPFEDSA-N 405.520 1.791 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 546878142 HBJPVGKORXYMFY-UHFFFAOYSA-N 409.446 1.049 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 549281906 AVUIZWGVEMTVRJ-HOTGVXAUSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)CC1 554628298 SIUSGLSQWSOIBA-UHFFFAOYSA-N 415.538 1.801 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 563944240 IUHZAUOFOSFUJP-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE COCc1noc(CN2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)n1 568940486 NKYGAXCGPXLGNX-UHFFFAOYSA-N 400.439 1.124 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1c(C)noc1C 583623377 GURWDNHDUKYXQR-UHFFFAOYSA-N 408.436 1.693 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 583788241 CXFJFGHFOXCHFF-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE C=CCn1c(SC[C@@H](O)CN2CCOCC2)nnc1[C@H]1COc2ccccc2O1 588635968 OONFXKJRAHTUPE-MAUKXSAKSA-N 418.519 1.762 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1 603911571 UTSQOWWSOMIWDV-UHFFFAOYSA-N 419.441 1.626 30 10 HDEE CC[C@]1(C)NC(=O)N(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 609151295 BCCYDDMQPWFOON-LIRRHRJNSA-N 415.475 1.119 30 10 HDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)CC2)n1 610028751 CBNCHYBMOXJJKM-UHFFFAOYSA-N 414.491 1.667 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 741217887 IVEQQMOYUCJRTO-DLBZAZTESA-N 423.435 1.972 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 742401605 ZAGBMKYGGODIMH-OAHLLOKOSA-N 403.439 1.745 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1C#N 746877009 MDUKAZKZXWBFLO-NRFANRHFSA-N 410.405 1.789 30 10 HDEE Cn1c(N2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 749677465 TXXBMDMYQRSSDF-ZBFHGGJFSA-N 417.510 1.572 30 10 HDEE C#CCN(CC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O)C1CCCC1 756911676 ZOLYPRLQQZQXKH-UHFFFAOYSA-N 408.502 1.721 30 10 HDEE CO[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470833 KQYXCGXNJQJFQI-HXUWFJFHSA-N 422.437 1.744 30 10 HDEE CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)S(=O)(=O)c1ccccc1 760401641 MFFIWZZBXANXNP-UHFFFAOYSA-N 413.521 1.227 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(CCO)CCOC1 762775191 BTHFPIWNFYWUAW-OXJNMPFZSA-N 423.535 1.045 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 762934262 ATXQJCSQWUMXON-ZDUSSCGKSA-N 420.874 1.701 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 764747950 SKLIEXSGYXZAEQ-AWEZNQCLSA-N 403.468 1.402 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 765960273 ZYYYBORDOTZUPL-SQNIBIBYSA-N 410.478 1.813 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC[C@H](O)C(F)(F)F)c1 768971474 HLAWYJIYVXOVSA-QIHSLCJDSA-N 422.429 1.934 30 10 HDEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@H]1CCS(=O)(=O)C1 774245964 QQGDJGDUUSPATA-HOTGVXAUSA-N 415.556 1.758 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)cn1 784125676 KZODYCRRPMAOCY-OAHLLOKOSA-N 418.523 1.393 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(N3CCOC3=O)cc2)n1 788695289 IIONHCVMTIWDLS-UHFFFAOYSA-N 418.475 1.310 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)n1 789794042 VTVKTOHQGCVVRV-UHFFFAOYSA-N 420.473 1.913 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)C2=O)CC1 799129436 QFOJOGWAEOAANE-FYRLBUEESA-N 420.517 1.779 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(S(=O)(=O)N2CCCC2)CC1 799958340 ZGUQBOQMQNEZFK-UHFFFAOYSA-N 414.535 1.973 30 10 HDEE COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802429695 BVCSIXVYXYWRFQ-HNNXBMFYSA-N 420.477 1.417 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ccc(C)c(Br)c2[N+](=O)[O-])CC1 804451331 GIQTVNFKGOUXLG-UHFFFAOYSA-N 409.284 1.927 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 808299843 SBCDGOJGHTZCHP-UHFFFAOYSA-N 403.287 1.718 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)NCCOc3ccc(C#N)cc3)CCO2)C1 814370028 PTWRDDOMGOZYGR-UHFFFAOYSA-N 416.478 1.968 30 10 HDEE C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)N(CCC#N)c1ccccc1 928713285 KFCGHVWPBPMNGT-AWEZNQCLSA-N 408.418 1.009 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1127006125 CZYMOITWLRDGLH-HXUWFJFHSA-N 416.522 1.639 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccnc(N3CCOCC3)n2)CC1 1128267181 BWWVUNDUFWQEOG-UHFFFAOYSA-N 408.462 1.700 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1129173479 UUMIWNMOWRVABC-QAPCUYQASA-N 420.535 1.606 30 10 HDEE CON(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H](C)C(=O)OC(C)(C)C 1152151972 XKAHCZVWJBROTB-NSHDSACASA-N 400.428 1.857 30 10 HDEE N#Cc1cc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)ccn1 1156655260 BIOIVGFHSXOCSP-UHFFFAOYSA-N 406.489 1.029 30 10 HDEE N#CC1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCOCC1 1159207742 ZVQGCVQGKKMCLI-HNNXBMFYSA-N 404.854 1.982 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1163163199 QKSHVQLVALCKNS-FQEVSTJZSA-N 405.520 1.501 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1165745162 SVFVTASWYQVERN-GOSISDBHSA-N 419.547 1.968 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 1255599250 IKYDTEAXTDWHGE-HUUCEWRRSA-N 408.499 1.978 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)c2cn(CCO)nc2C2CCOCC2)n1 1261759147 XZQAUZVQLPXNPB-UHFFFAOYSA-N 407.434 1.474 30 10 HDEE C=C1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1282662722 PXXFMGWGTGIARX-GFEQUFNTSA-N 403.523 1.794 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286338484 BNMNVGJANBXYKO-INIZCTEOSA-N 417.535 1.837 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1286389123 YMABEJDIHVGOIH-HZPDHXFCSA-N 422.507 1.135 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)N(C)C)CC1 1286477056 NKOVYGSLJVOTBV-IBGZPJMESA-N 418.549 1.836 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)cc(OC)c2)CC1 1286479951 QTVOELNAQWPEAH-SFHVURJKSA-N 412.469 1.180 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)NC(C)(C)C)CC1 1286482738 XTRCKLNEZNYJMQ-UHFFFAOYSA-N 409.538 1.324 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286593197 DZHQLYABPXWKNG-LSDHHAIUSA-N 420.514 1.535 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286710724 BZDBDJIWJXWQSN-QGZVFWFLSA-N 400.483 1.274 30 10 HDEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286713561 CADWGLKREGQRPU-TWOQFEAHSA-N 422.482 1.637 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC 1286791572 WMANMIBCZGNADR-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCOCC2)C1 1286812401 OUARXIMDKPFECO-QUCCMNQESA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@](C)(CC)C1 1286823252 SIJJMEAZYURMHF-FQEVSTJZSA-N 419.551 1.870 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)N2CCOCC2)cs1 1290388769 XJVQQWCNIJOSKI-CABCVRRESA-N 403.556 1.950 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1ccc(C(N)=O)nc1 1290887751 HLRKFWGPIILRNK-IBGZPJMESA-N 403.446 1.578 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)CCC(=O)OC(C)(C)C)c1cc[nH]n1 1294232706 COCGOPCURBBXPO-UHFFFAOYSA-N 410.471 1.710 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CCO2)c1 1295937419 SHVZFFIMZOCVBF-HXUWFJFHSA-N 421.453 1.842 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1C#N 1296472049 LLPQTOOUVWOZAH-UHFFFAOYSA-N 410.434 1.820 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1299434513 GITFGFJFGVUDGN-UHFFFAOYSA-N 420.477 1.910 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@H]1CCCO1 1300268634 UKYIVNACTVOCOE-DLBZAZTESA-N 412.494 1.969 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 1300392807 KOXWTTNUVAKNEI-AUSIDOKSSA-N 418.453 1.444 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCN(C)C(C)(C)C1 1300448651 BCOVJBLRLPVERZ-UHFFFAOYSA-N 424.549 1.812 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CC(OCC)C1 1300516259 KFZCGRYUWBASOT-UHFFFAOYSA-N 409.446 1.856 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccnc2OC)CC1 1300730926 HCRQRGZPHPTRFK-UHFFFAOYSA-N 412.494 1.232 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300754739 GQBOVRSONCGOEQ-HXUWFJFHSA-N 413.551 1.403 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOCC2(CCC2)C1 1301510409 XCBJNAXVZXRVCX-UHFFFAOYSA-N 413.526 1.449 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(N)=O)nc2)C1 1301555342 VLUWTXAARMCVOL-QGZVFWFLSA-N 419.489 1.972 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)NC2CCN(S(N)(=O)=O)CC2)c1 1301613911 CQYMVMNXKJVLQZ-UHFFFAOYSA-N 404.448 1.128 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1301970022 BFUAHKNVSZSFMP-OAHLLOKOSA-N 419.530 1.863 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1302367128 MEDGELSUYSGLQR-GOSISDBHSA-N 406.446 1.951 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1303643634 ZZCKSZZWRWAFKH-GJZGRUSLSA-N 418.523 1.813 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1304910436 IJBNATWQVJCYIO-WMZOPIPTSA-N 424.505 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1305590795 STLBLFBZCOJDMN-UHFFFAOYSA-N 417.466 1.241 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1357596410 GPMNBADLSSXAQJ-QGZVFWFLSA-N 403.479 1.459 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(NC(C)=O)nc1 1358874208 UQCNXPREWDEZGK-CABCVRRESA-N 400.483 1.862 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1358890282 NHTWQJUDCAKLBY-HZPDHXFCSA-N 411.572 1.895 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1358918200 NLECLKIMNYBFDA-DYESRHJHSA-N 417.510 1.763 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1358918626 BCIXZLOBQPHRML-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1359006672 DZWQJSSPUGIXDY-UHFFFAOYSA-N 417.539 1.176 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nccs2)CC1 1359028467 TWGODTSWMJUGPF-UHFFFAOYSA-N 413.551 1.359 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)nc2)CC1 1359044057 SXZKQBMKFHIOLP-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359061593 GWWVEJWQFZLLAT-LJQANCHMSA-N 404.540 1.667 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1359148976 JTCFRFXGICFQQD-UHFFFAOYSA-N 408.890 1.967 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)CC1 1359165427 OLWVAHKTBROVJL-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1359232684 BBNCKENDGXNZKR-UTKZUKDTSA-N 415.542 1.955 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2cc(OC)c(OC)cc2C1 1359305056 RPOQMVHRXTWJPD-UHFFFAOYSA-N 415.494 1.697 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1OC 1448500176 HOPGTIMVXOYJPC-UHFFFAOYSA-N 422.459 1.303 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)cc2)nc1 1451161674 PKHQRHQEMONSOO-ZWKOTPCHSA-N 413.455 1.774 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@H]4COC(=O)N4)CC3)ccc2c1=O 1456565404 YBYDGUADHYWQDI-MRXNPFEDSA-N 414.487 1.832 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C2)c(=O)nc1O 1457203131 SXEDXZWJTNRLEA-GOSISDBHSA-N 411.437 1.398 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 1462105541 OAKKPMJWQQSORZ-RTWAWAEBSA-N 405.458 1.200 30 10 HDEE N#CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1464759991 CAWXXLWEVYELBD-FXAWDEMLSA-N 411.433 1.549 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC2CC2)c1 1464870721 OHRULVAQTVOOJE-CQSZACIVSA-N 414.487 1.725 30 10 HDEE N#Cc1c(F)cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1F 1465761262 HSSFJUOUGDYZPF-QGZVFWFLSA-N 400.385 1.169 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC)[C@H](O)c1ccccc1F)c1cc[nH]n1 1465918050 KZHHXTLSEYNQFE-RDTXWAMCSA-N 406.414 1.461 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n1 1470034014 VPBZSEFEMYEQEA-AZUAARDMSA-N 406.490 1.982 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](Cc2nc(C)cs2)C1)c1cc[nH]n1 1471916421 HHNTWFCXPOOBAM-CQSZACIVSA-N 419.507 1.940 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1472002392 WOKQIARARAOXFT-INIZCTEOSA-N 409.529 1.713 30 10 HDEE CC1(C)C[S@](=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1473387854 CTWMJNNWFWJDLV-XDBZFTIUSA-N 406.527 1.377 30 10 HDEE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1473685732 OLTZBFXUTMXTGQ-IWUPYOBGSA-N 400.498 1.768 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1479062644 ZLOMDHYNKVSHHU-LJQANCHMSA-N 419.547 1.620 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)cs1 1492682319 VBRMWMOGSGQBKB-KRWDZBQOSA-N 401.540 1.849 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)cs1 1492682320 VBRMWMOGSGQBKB-QGZVFWFLSA-N 401.540 1.849 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)O1 1497478221 VUHWMBXLZAPTRG-ATNYBXOESA-N 412.560 1.832 30 10 HDEE CCN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1502185459 GFBXNOYLUHXQEN-INIZCTEOSA-N 412.498 1.384 30 10 HDEE COC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1504577164 ARWKLAHDEYIYJW-CRAIPNDOSA-N 404.402 1.957 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1504597742 KRRJRAVAMNJREL-IAGOWNOFSA-N 413.457 1.357 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1504888088 HYDZFXYZRRRZQJ-GOSISDBHSA-N 419.574 1.174 30 10 HDEE COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504893787 KTUQLZQKIYETSH-OAHLLOKOSA-N 402.449 1.970 30 10 HDEE COCCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1505013682 AOLQDQPQRSJEMH-QZTJIDSGSA-N 413.478 1.584 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1507635809 VSLHYZDPGXFRIE-NUEKZKHPSA-N 423.539 1.791 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1507652254 FHNATPGZBINIPX-IBGZPJMESA-N 421.501 1.856 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCC1 1507652842 JNIMPOZRISSPSZ-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1507666978 MFWAQOLMSAONBE-MRXNPFEDSA-N 400.479 1.982 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1507684799 ITSBQQLEHAVECI-YCRPNKLZSA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C(C)C 1507709557 VRBFOYIELGSXSV-OAQYLSRUSA-N 424.509 1.414 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1507723417 HPVAOPMUOBCJTB-UHFFFAOYSA-N 422.533 1.426 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1507738595 RVHKKRCCSXZABQ-NUJGCVRESA-N 412.538 1.631 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507837115 IWFHDTFHVCAHQV-HNNXBMFYSA-N 404.515 1.905 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507839962 ICPFEAXNGMQLSD-HNNXBMFYSA-N 413.478 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C)C1 1508136532 UCGYZLSSQKIZGJ-OAHLLOKOSA-N 401.492 1.643 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1508159749 PTHPTGBQSBEUHF-HZPDHXFCSA-N 417.539 1.250 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCCC1 1508422100 HQGHBAFEOUCBHS-AWEZNQCLSA-N 403.512 1.688 30 10 HDEE COCC1(C)CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1518778112 ZAGXWYGODHDFBU-HTXNQAPBSA-N 414.510 1.935 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(F)(F)CO1 1519160595 CHRYNUNDTHOTLB-CQSZACIVSA-N 412.441 1.305 30 10 HDEE COCCn1cc(Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)cn1 1519185820 BNYBKUKWTNPPFH-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1521062415 CLBMBZLJULQMBH-CRAIPNDOSA-N 404.450 1.136 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)Cc2ccc(C(N)=O)nc2)CC1 1529591787 BPEMJKWXEALAQV-UHFFFAOYSA-N 400.442 1.492 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1536220543 DASVJNGMKOPZFG-JOCHJYFZSA-N 416.522 1.519 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3nccc(C(F)(F)F)n3n2)n1 1538916433 AUMOLNUFNDTHIH-UHFFFAOYSA-N 406.368 1.867 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1NC(=O)CC1(C)C 1539273118 LETUYAADNVFASC-IBGZPJMESA-N 405.502 1.887 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1539331270 LWBVSEXXWKTUJQ-UHFFFAOYSA-N 424.549 1.655 30 10 HDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1539758075 BVYWFGGBOHFWOI-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540862971 MMEBBVRUJXLYMQ-QWHCGFSZSA-N 416.448 1.599 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCC)CC1 1540869372 KPANZDMKBLNXPP-JKSUJKDBSA-N 404.515 1.317 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1541990284 DEKKRIXLBMKBIY-MAUKXSAKSA-N 407.540 1.615 30 10 HDEE C=CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1Cl)[C@@H]1CCS(=O)(=O)C1 1542217035 MQDUFHXHSDNOON-GFCCVEGCSA-N 406.913 1.527 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1542891942 GWUXFDGSGHVOTL-RISCZKNCSA-N 416.511 1.360 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1544636681 PROBQAGQMXXYEA-NVXWUHKLSA-N 415.494 1.414 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)COC(=O)N4)C2)C1 1546084573 MTXNZPYTMTXPLG-RDYUPDBUSA-N 418.494 1.874 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1547773133 PWEXGVJMQYTGTN-QGZVFWFLSA-N 415.473 1.653 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1555484576 UHVILHLQMSZQRN-IBGZPJMESA-N 414.510 1.651 30 10 HDEE C#CCN(CC(=O)Nc1ccc2c(c1)nc(C)n2C(CO)CO)C(=O)OC(C)(C)C 1556606637 IGUROQFPVSXFAQ-UHFFFAOYSA-N 416.478 1.679 30 10 HDEE C[C@H](CN(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1556984703 ZWNRTIIDKJXPKW-CQSZACIVSA-N 409.508 1.928 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)cc1 1557316900 QBERGOBEOJFTME-ROUUACIJSA-N 407.536 1.380 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)c1 1558196551 KGPUDBQGOBQVPA-SWLSCSKDSA-N 404.410 1.780 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1=O 1558463994 CDTCQRZODUCZKD-HSALFYBXSA-N 424.549 1.689 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)cc1 1562340330 FYIPQQZNRSLXLB-UHFFFAOYSA-N 403.439 1.699 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 1564199134 BDOWLASZLBBFDB-DNVCBOLYSA-N 421.505 1.754 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cnccc2C#N)C1 1584182753 RPBRHQVVTYQMNV-AWEZNQCLSA-N 408.480 1.107 30 10 HDEE C[C@@H](C(=O)NCc1ccn(-c2ccc(Br)cc2)n1)n1cnc(C#N)n1 1584340695 WOCASEOPPVXPME-NSHDSACASA-N 400.240 1.975 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCOC[C@@H]2OC)c1 1587692647 HMZQIFAHZXWFGE-MJGOQNOKSA-N 411.506 1.948 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1587861019 FQIQIUSDFDOKMO-DLBZAZTESA-N 421.567 1.336 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588049234 CPKKOKOBYOQEFK-HZPDHXFCSA-N 421.567 1.538 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)NC2CCCCC2)CC1 1588800682 MRPHAFPZHDROID-UHFFFAOYSA-N 409.538 1.488 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1589216367 NEXAXGJMKZRMQQ-HNAYVOBHSA-N 407.540 1.403 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595114927 AZUHBTKVRFHJSC-FQEVSTJZSA-N 402.520 1.898 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1595760490 NTNGCAACEDQJAV-NVXWUHKLSA-N 422.555 1.704 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1598063160 RAYFZNVQTIHOAX-SFHVURJKSA-N 407.478 1.708 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCCC1 1598087069 PHBLEVDNMXWFID-HNNXBMFYSA-N 403.545 1.778 30 10 HDEE Cc1c(Br)cncc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1598100946 FZEAVLWKNVVNTF-UHFFFAOYSA-N 409.265 1.941 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1611331151 IIUJAXBNGJEGSX-RDJZCZTQSA-N 418.505 1.976 30 10 HDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 1613104692 NRCUTEBIQSUUNS-NRFANRHFSA-N 424.482 1.966 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1615842605 GWTDTDRDWWPUFL-AZUAARDMSA-N 424.553 1.019 30 10 HDEE C[C@H]1CN(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)(C)O1 1615935272 KNAJOMDPOPUVFG-HNNXBMFYSA-N 413.478 1.954 30 10 HDEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=O)c5ccco5)CO[C@H]34)n2)c1 1616131076 DDEMLBVZHRWBRV-HNBVOPMISA-N 417.425 1.985 30 10 HDEE CCOCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1616955025 DOIKTTLUEAJZTO-YWMAMYRUSA-N 418.498 1.345 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1619828907 NXJRLNXJQXGSJR-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1c(C)noc1C 1619909584 CGXHRDLKAAXADQ-UHFFFAOYSA-N 401.471 1.534 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1620127141 LRLGHJNRFRNNAM-QGZVFWFLSA-N 400.483 1.573 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 1620357827 QVMKEFNZWUFGSU-KRWDZBQOSA-N 402.499 1.161 30 10 HDEE CC(=O)NCC(=O)N1CCCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1620483931 FWHOXNCSOQPBFZ-UHFFFAOYSA-N 405.886 1.211 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@H](F)C(N)=O)CC2)CC1 1620501309 BCEJLDRDMNCNLB-ICSRJNTNSA-N 419.476 1.070 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)C1=O 1620564238 DNQGZEGIZGVIII-OWSLCNJRSA-N 416.547 1.857 30 10 HDEE C#CC1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1623269710 SSQIXKQKJVCTQP-UHFFFAOYSA-N 420.535 1.651 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1625387363 LLAYPEWTKORHHU-WMLDXEAASA-N 406.280 1.478 30 10 HDEE C[C@@H](CN1CCCC1=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1626283057 NZEBLWVYCMTMFR-SDMXJPDVSA-N 404.511 1.900 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1627789854 DQXSIRAQOIFMHM-QGZVFWFLSA-N 415.519 1.924 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cc(N3CCOCC3)ncn2)ccc1OC 1629006557 RTGZMBVNGJDOII-INIZCTEOSA-N 411.462 1.933 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CS(=O)(=O)c1cccc(Br)c1 1632393830 DUEGDRCVKFNQDO-UHFFFAOYSA-N 403.254 1.138 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1633560316 YQFZMSKXNABOJW-LBPRGKRZSA-N 402.925 1.541 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 1633828744 SFTUEPJOPCUHLZ-IBGZPJMESA-N 424.498 1.429 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)CC1 1634876604 WNBNLWGYOHYTER-QXAKKESOSA-N 416.319 1.228 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)nc1 1635421277 KXOHRTCZLUCTIN-ROUUACIJSA-N 411.437 1.286 30 10 HDEE Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1637880574 MTXKRSTXBDSBSS-NLWGTHIKSA-N 402.520 1.149 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 1638019842 CMFMBMCMSDNIFU-HKUYNNGSSA-N 418.902 1.762 30 10 HDEE C#CC[C@H](NC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1)C(=O)OC 1638826591 MMNFYDZTDMQQQS-INIZCTEOSA-N 410.467 1.488 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1638905875 FUUNOZLKWLUOIH-HNNXBMFYSA-N 417.491 1.822 30 10 HDEE CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 1640322524 HCBLLKAQYUFELR-YJBOKZPZSA-N 407.536 1.919 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1)C(=O)OC(C)(C)C 1640326007 XCIIXNJLEWEQJW-LBPRGKRZSA-N 409.874 1.401 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(c2ccc(C#N)cn2)CC1)c1cc[nH]n1 1641927092 PLIWJJUQUKYOHS-UHFFFAOYSA-N 410.434 1.366 30 10 HDEE CC(C)[C@@H](NCCC(=O)Nc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 1642948533 ASUXQQYGFWHKQK-OAQYLSRUSA-N 423.521 1.697 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1643821907 HBYCQIFISAUNTF-CYBMUJFWSA-N 416.956 1.612 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1 1644437794 JVTZXRJWLDERLV-NSHDSACASA-N 402.341 1.439 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 1647757429 MXOMKNBFOVQFKT-QZTJIDSGSA-N 406.552 1.904 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2cccc(C#N)c2)CCO1 1647906391 NGNUWFVUPRXBOY-NRFANRHFSA-N 403.479 1.946 30 10 HDEE C[S@](=O)[C@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1651250319 BWSJRLHEBIUBNR-FXUCQVAHSA-N 423.560 1.375 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCc3nnn(C)c3C2)c(=O)c1C#N 1654530646 DIVJQMLXERYFRU-JTQLQIEISA-N 405.256 1.103 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCn2c(CCc3ccccc3)nnc2C1 1663904900 FFVDUBMSWAIDIN-MRXNPFEDSA-N 402.524 1.605 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)c1 1663913965 WNSPFYDKRKGJGC-GOSISDBHSA-N 411.487 1.831 30 10 HDEE N#C[C@]12CN(C(=O)NCCn3ccc4cc(Cl)ccc43)C[C@H]1CS(=O)(=O)C2 1672505887 TVNCRTQEHRTLBD-KBXCAEBGSA-N 406.895 1.874 30 10 HDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)NCc1cccc(OCC#N)c1 1677688986 BHZJKGBPZOIIJC-UHFFFAOYSA-N 418.475 1.968 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 1679943977 FMKBWRIAIXQJGA-FZKCQIBNSA-N 418.498 1.698 30 10 HDEE CC1(C)[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C[C@H]1OCc1ccccc1 1680385752 QDEANLPAHLDTDJ-OOSNJVJTSA-N 417.531 1.950 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)[C@@H]1CCCO1 1681593889 VDYWPXVKZSTCQW-IRXDYDNUSA-N 420.307 1.984 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ncn(-c4ccccc4)n3)C2=O)cc1 1682021275 CVJWXJNJFJYOAS-IBGZPJMESA-N 415.457 1.739 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1690086904 CJSYUHONVXFLJC-YLJYHZDGSA-N 405.568 1.797 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCO[C@@H]1C 1690105169 VYYRSNVVXCDEJI-AUUYWEPGSA-N 405.524 1.260 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1690183233 QLUUCTWVICKIBU-MRXNPFEDSA-N 401.540 1.173 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690655412 SVXAURSTDOQXSE-IEBWSBKVSA-N 416.570 1.783 30 10 HDEE CC1(C)CN(CCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)CCO1 1692871375 ICKXGRSKBAFWBS-UHFFFAOYSA-N 415.542 1.251 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1conc1COC 1694326507 JEDKPKWGKVYYSA-IBGZPJMESA-N 419.461 1.821 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1705565503 VJQQAYMEZALCLQ-AWEZNQCLSA-N 411.478 1.956 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705567773 ZKVHEZROMGHLES-MOPGFXCFSA-N 414.531 1.765 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1705610309 KDOHMHQPJNXBSX-UHFFFAOYSA-N 414.535 1.836 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705696366 GLLXOEVMLAQVCP-PZJWPPBQSA-N 416.570 1.702 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1705873835 WRXCLRRYTLVINM-GOSISDBHSA-N 406.490 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705934860 ZDXYDVRDPOKKAW-INIZCTEOSA-N 409.556 1.497 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1705944043 STDWGUNRMYSPEC-AWEZNQCLSA-N 408.528 1.427 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(C(N)=O)CCCC1 1709141827 GYRRTYHJDFHYHM-OAHLLOKOSA-N 423.525 1.263 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1709153428 GVLYFOWTSSSOGJ-ZIAGYGMSSA-N 402.421 1.222 30 10 HDEE CCCNC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1709834819 WXLUSKKSCIAQJS-UHFFFAOYSA-N 424.553 1.986 30 10 HDEE CCCNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1709835045 FADOZYXGQFJICW-QGZVFWFLSA-N 422.493 1.162 30 10 HDEE CCOCc1nnc(N2CCCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710719381 LQVOVPFRAVXTLP-AMGRQBIBSA-N 402.499 1.967 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711162266 PEBSCNGVQQXCQZ-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1722282910 CFOCDKAZUHFRJH-INIZCTEOSA-N 414.535 1.946 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722365894 FSOYVSCVHVNAQQ-CYBMUJFWSA-N 405.480 1.043 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1722370167 IDEFLEURCGHZIE-MBSDFSHPSA-N 421.501 1.760 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(C(N)=O)CCCC2)CC1 1722442096 XIJLGYSQHKKCPJ-UHFFFAOYSA-N 420.561 1.864 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722624965 MIKIPPFDJAJSFB-OAQYLSRUSA-N 413.526 1.629 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1722680631 UBZHGUZVFNZRHQ-DYESRHJHSA-N 419.526 1.377 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2snnc2C)C1 1722709594 TUWRAOYPGMQBRW-CQSZACIVSA-N 403.512 1.504 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCOC2)C1 1722710261 GHFDWHNCFBMEBP-ARFHVFGLSA-N 413.544 1.096 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1722737655 NYXTWEJSIKMAGD-KRWDZBQOSA-N 414.539 1.700 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1722841494 DSSNHLCURLKWEM-WOJBJXKFSA-N 422.489 1.503 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C)S(C)(=O)=O 1722874013 GFDDLFDAQZUGFS-KGLIPLIRSA-N 418.523 1.163 30 10 HDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1729129440 NAGHDZMWPSLHQY-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CNC(=O)CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1729709763 CNYSDLWFNLFRCB-SFHVURJKSA-N 422.445 1.876 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)C1 1731180830 DWKKPXMZTPNRDE-UTKZUKDTSA-N 412.469 1.930 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCN2CCCCC2=O)CCO1 1731186646 FOSVEEJGQHUHKY-SFHVURJKSA-N 409.494 1.395 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1740617968 ZOPURKPUHYHCER-IRXDYDNUSA-N 407.584 1.903 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCc2ccco2)CC1 1740693727 KLZDRWYECWYTCM-UHFFFAOYSA-N 405.462 1.005 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740805794 XDXMVYYYMVBVDC-UHFFFAOYSA-N 420.901 1.772 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCN(C)C2)CC1 1740834329 RTDNNFWHYDOCSJ-OAQYLSRUSA-N 404.559 1.666 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1741004746 LGPPQSCJOCSHDC-KXBFYZLASA-N 409.556 1.551 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1741123827 BMDIWQCAALHJIC-NEPJUHHUSA-N 414.923 1.034 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1741129127 JWDFHOZCPFDGCP-HZPDHXFCSA-N 409.498 1.675 30 10 HDEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1741708339 VTFGGNUVUHRXTM-UHFFFAOYSA-N 420.525 1.860 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747288547 JDHFBDFIXNMUKB-ZBBYCGENSA-N 416.526 1.866 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(OC)cc1 1748844072 NSPVEAFPOGARPH-QFBILLFUSA-N 407.474 1.778 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1748844503 UADBAOJXYYMFKO-HNNXBMFYSA-N 410.444 1.576 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1748917337 VLQZVYHYPODUSI-UHFFFAOYSA-N 421.509 1.543 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1-n1ccnc1 1748958544 ABKOBFNNHQWBJW-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1749226046 MTXORHNXCBONBY-SJORKVTESA-N 407.515 1.452 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681803 JUKYDJADJTVHAK-JXFKEZNVSA-N 407.515 1.236 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)F 1750027797 OMSMWUYXTFQVBZ-GXTWGEPZSA-N 402.421 1.741 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1750058643 GLLALVGKNUXKIF-INIZCTEOSA-N 415.542 1.901 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1750208679 HJMANMGRNMXOSV-DLBZAZTESA-N 422.555 1.021 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1760179417 GHMJRHCUNFBHIQ-INIZCTEOSA-N 415.469 1.561 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760180327 CCXBZHVYEWXVKJ-YLJYHZDGSA-N 422.551 1.355 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1760192311 HMLOJBQINLBHOO-GOEBONIOSA-N 405.480 1.101 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1760239697 RSIRCLTXPYLIEW-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1760450686 PPBRFYKXFNPJEY-QFBILLFUSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760552208 GJYLTRNIPJQTII-SOLBZPMBSA-N 417.535 1.802 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCO 1760692869 KGMCKIZLDVKMOP-OAHLLOKOSA-N 401.467 1.711 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1767102818 ARFIRDXFBDYYOI-AZUAARDMSA-N 424.553 1.019 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1767241488 CUGOHSTUOHIWHN-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1767507683 YCMDWFIQQBLPQC-OAQYLSRUSA-N 404.478 1.665 30 10 HDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(C(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@@H]21 1770270308 TZTSHMJMYVPBID-ZEJGXFDZSA-N 414.510 1.789 30 10 HDEE COc1cccc(OCCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1770382916 RDCMMZWSSSYBPK-QFBILLFUSA-N 413.478 1.988 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)OC 1770760222 AZGWRTZXLWNPKA-DLBZAZTESA-N 419.507 1.101 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CC[C@@]2(CCOC2)O1 1771281970 ZNWPSUKTJYSATP-ATOXUGOLSA-N 419.526 1.936 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1F 1771493740 RBMIYDXMRHRDKM-ACWOFJMJSA-N 419.482 1.161 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1772564491 KEWSJRDLROFLMT-UHFFFAOYSA-N 408.514 1.756 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1)[C@@H]1CCN(C)C1=O 1848806544 REXGRVXYDYAXBN-MSOLQXFVSA-N 405.520 1.393 30 10 HDEE C=CCSc1ncccc1C(=O)NCCN1CCN(S(=O)(=O)C2CC2)CC1 1851971133 MDTCZGNYXJKJLH-UHFFFAOYSA-N 410.565 1.199 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)CC2 1852729731 ORHZINHPJISOHQ-MOPGFXCFSA-N 401.532 1.480 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1C 1852793342 HPCZPWUPVCRFIY-UHFFFAOYSA-N 404.434 1.208 30 10 HDEE CN(CC(=O)N1CCc2[nH]nc(C#N)c2C1)c1ncc2c(n1)-c1ccccc1OC2 1852819445 ITFMSGQTQNWYHB-UHFFFAOYSA-N 401.430 1.652 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)CCON=C(N)c1ccc(C(C)(C)C)cc1 1853462825 RKBLCYOOBQZGES-UHFFFAOYSA-N 404.511 1.328 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCCCC2)c2cccn2C)CC1 1853470508 FEILQCKURAWSNB-UHFFFAOYSA-N 408.524 1.744 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@@H]43)ccc21 1853771113 IDPXPZHSJVGFMN-DLBZAZTESA-N 403.460 1.348 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(F)ccc3F)C(C)(C)C2=O)CC1=O 1853915541 ZPEFSHXWRULTPQ-OAHLLOKOSA-N 405.445 1.949 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1F 1853948413 MUNHSCOTIDVSHI-UHFFFAOYSA-N 417.418 1.379 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1854386556 CPEHIZGKBNNQQT-UHFFFAOYSA-N 403.382 1.757 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)CN3CCC(F)(F)CC3)CO2)cc1 1854580414 XQYWAIZGQSHFQA-CQSZACIVSA-N 415.418 1.137 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1854695080 WBEJGXSWMXCJFA-INIZCTEOSA-N 411.483 1.809 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3ncccn3)C2=O)CC1 1854865545 JMINLYKZCNFHQT-KRWDZBQOSA-N 406.446 1.275 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1cc(=O)n2ccccc2n1 1854906768 XMSAFTYOBGWFAT-OAHLLOKOSA-N 401.426 1.439 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)CCSc3ccc(F)cc3)C(=O)C2)C1 1855073963 KKQPAFBUKVILTB-KRWDZBQOSA-N 404.511 1.967 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCC2 1856217102 UKSLXFAWMJXJJA-INIZCTEOSA-N 416.547 1.833 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)Cn4cccn4)C3)CC2)cc1 1856634979 AQVQVDGFIPVZOR-GOSISDBHSA-N 407.474 1.673 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)C[C@H]4CCOC4)C3=O)CC2)c1 1857015541 MWXANFYAUPTAFY-RTBURBONSA-N 412.490 1.598 30 10 HDEE CCc1ccc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1857151278 UGHCVMHPWVQAMT-LJQANCHMSA-N 404.474 1.472 30 10 HDEE Cc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1C 1870144288 WJCQLJNLZQTAQO-UHFFFAOYSA-N 400.398 1.991 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(Cl)c2)c(=O)cc1CN1CC(O)C1 1870713476 HSLXFGRCJXJLGV-UHFFFAOYSA-N 403.866 1.882 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cccc(N(C)C)c1 1870961985 LIJOULHHJWJQCF-UHFFFAOYSA-N 414.506 1.854 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C#N)cc3F)CC2)cc1 1891212310 BDRSVGNXKRMXBX-UHFFFAOYSA-N 405.437 1.940 30 10 HDEE C#C[C@@]1(O)CCN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1963829352 MEIKHDUOMCUPSD-HTAPYJJXSA-N 416.474 1.610 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCC(CO)(NC(=O)OC(C)(C)C)CC1 1982283046 IBOSLHPHYMTQIE-UHFFFAOYSA-N 413.334 1.576 30 10 HDEE CCOC(=O)CS(=O)(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2157047597 OKCITUFBXIFKOC-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CC(C#N)C2)CC[C@H]1C(F)(F)F 2174782992 XDVLKQCKCUKQAW-VXGBXAGGSA-N 412.434 1.464 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@H]1C(F)F 2174789117 MQTSIFCDLILRIP-YNEHKIRRSA-N 408.471 1.557 30 10 HDEE Cc1cc(CNS(=O)(=O)N2CCOCC2)sc1B1OC(C)(C)C(C)(C)O1 2202302026 VVSXOTIOMJSSQM-UHFFFAOYSA-N 402.347 1.022 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(O)C(=O)C1=CCS(=O)(=O)CC1 2232544114 YMTNOIGWWLQXPR-KBXCAEBGSA-N 403.497 1.077 30 10 HDEE CC1(C)OB(c2csnc2CN2CCC[C@@H](CS(C)(=O)=O)C2)OC1(C)C 2235507892 XZXFKIWDZUEQLT-CYBMUJFWSA-N 400.375 1.699 30 10 HDEE C=C(Br)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2241754264 ATSUYQJILKKAOA-GFCCVEGCSA-N 421.269 1.194 30 10 HDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243392399 IFCCISBZDSMQDQ-DYEKYZERSA-N 402.222 1.925 30 10 HDEE Cn1ncc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247778628 FQSPKHTWPLPMNR-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2247911333 VEEUXZLQTQGGTL-UHFFFAOYSA-N 421.278 1.869 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248401056 FDVBDGAQGBFMJZ-IUODEOHRSA-N 421.303 1.593 30 10 HDEE Cc1nn(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2255827471 XGYDHUKXUJEYAE-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE CCN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2281996556 PXQLHVYSFGBZTJ-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(CC(N)=O)C3)cc2Cl)OC1(C)C 2282304953 RHBDNRBFIXPRGE-UHFFFAOYSA-N 420.749 1.197 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282311168 DTPFVAFDUMXLHB-VXGBXAGGSA-N 418.415 1.337 30 10 HDEE CC1(C)CC[C@H](N)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337361 GVZUXNVJAKPZQC-LBPRGKRZSA-N 400.375 1.938 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282338820 UNCJXUYAQQWMRM-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CCCN(CC(=O)NC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341626 VNMBOGPLPSBMLI-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE Cc1nnc(CCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 2282418107 GMAYXSAOXCZKAY-UHFFFAOYSA-N 415.371 1.728 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282620465 FUCOBVPKKLVZFZ-QWRGUYRKSA-N 402.347 1.336 30 10 HDEE C[C@@H]1[C@@H](O)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833841 LHCZBDOHFLQIST-YPMHNXCESA-N 402.347 1.117 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@]1(C)CO 2282836863 QCHJDHSFAJXKHN-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE C[C@H](CC1CNC1)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282841518 VTOYVYPFDXBBLJ-SNVBAGLBSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3COCCO3)c2)OC1(C)C 2282857202 DZIULDDOHYBLNK-CYBMUJFWSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(F)C[C@@H](CO)C2)OC1(C)C 2282857990 PXKQAFJACGBERF-AITUWYQGSA-N 405.322 1.436 30 10 HDEE CCOC(=O)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877807 XDRDOBFGUPQAEN-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE CCSC[C@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284374854 XLEATYJMQZJYGS-JTQLQIEISA-N 400.331 1.687 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H]2CC(=O)O)OC1(C)C 2284408797 BOVMIOJXHJRISP-NSHDSACASA-N 401.315 1.675 30 10 HDEE CC[C@@](C)(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414025 DFPCQHHXRHUPPB-INIZCTEOSA-N 403.331 1.827 30 10 HDEE COCCN(C[C@@H](C)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2288020349 HJTAXRROIXLXQY-GFCCVEGCSA-N 405.347 1.065 30 10 HDEE COC(=O)C1(CS(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2290080567 CLVKXGKKBUIRIY-UHFFFAOYSA-N 402.303 1.137 30 10 HDEE O=c1c(Cl)c(NN=Cc2ccc([N+](=O)[O-])cc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322614585 ZZSOAIJKOCKTHU-GFCCVEGCSA-N 411.827 1.611 30 10 HDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCO)ccc1OC(C)C 2330794599 XCQSFBNHEJTECA-UHFFFAOYSA-N 407.496 1.677 30 10 HDEE C#CCCN(CC(=O)O)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2336520392 YTSKOZSINQTMRC-UTKZUKDTSA-N 402.447 1.739 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(C[C@H](O)C#CC2(S(C)(=O)=O)CC2)cs1 2342032309 JXUVTRLLFQAIMH-CYBMUJFWSA-N 400.522 1.652 30 10 HDEE CN1CCC(C[C@H](N)C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)CC1 2365203306 IQBPPCJJTONCPI-OAHLLOKOSA-N 401.573 1.520 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825724 RPCWOIQUSPPDEK-IFXJQAMLSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831186 OWYSMMKFXXHITD-RKVPGOIHSA-N 400.541 1.435 30 10 HDEE CCOC(=O)[C@@H](C)Sc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N 20919785 RPFGZKCNLNPZCB-XTTRTJGBSA-N 424.483 1.507 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2ccc(OC)c(OC)c2Br)CC1 55900331 OCHAPZHUTIDLLX-UHFFFAOYSA-N 412.328 1.886 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204863510 FQEJDAGNRIBFBI-LBPRGKRZSA-N 406.292 1.652 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1 433496160 DBTDDOSVFSFABK-UHFFFAOYSA-N 402.499 1.932 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)c[nH]1 445706112 AEPYNWMWXPSFGY-UHFFFAOYSA-N 404.448 1.736 30 10 HDEE C[C@H]1CN(c2ccnc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)C[C@H](C)O1 446416697 WCDLMBXCTFLQSW-IRXDYDNUSA-N 406.490 1.924 30 10 HDEE CC(=O)NC[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1 446636048 DUXRJCMAOOLQGK-DAWZGUTISA-N 401.467 1.190 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 460682053 ZKBDKWJJXAOSSY-KRWDZBQOSA-N 403.435 1.682 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460961654 UHIFIPMQAQEUNN-UHFFFAOYSA-N 416.551 1.844 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@]2(CCO)CCOC2)CC1 475806699 COWSLOCQDIPESH-NRFANRHFSA-N 414.462 1.928 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 487518071 LAIOSWCKXVTYRJ-BBRMVZONSA-N 412.450 1.591 30 10 HDEE Cc1nc([C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)no1 497540964 YPWKRCLYSADCCE-BBATYDOGSA-N 403.464 1.358 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)C2CC2)CC1 505947737 KGHQYQZPJBQORE-INIZCTEOSA-N 406.464 1.722 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC=C)CC1 508961360 MSIQBENOXOVDNO-UHFFFAOYSA-N 421.505 1.339 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3cc(OC)c(OC)cc3s2)C1=O 522250759 PEWFPDYXTNZKAE-UHFFFAOYSA-N 404.404 1.229 30 10 HDEE N#Cc1c(F)cc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1F 555530936 AHJBIQLTKQFZKU-UHFFFAOYSA-N 410.380 1.525 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1 558204744 BYMJGWHVLTZVAC-YJBOKZPZSA-N 411.462 1.828 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)n1 562131799 BAXIVNWSGZKKDQ-TXPKVOOTSA-N 419.489 1.410 30 10 HDEE C[C@@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)n1cnc(C#N)n1 565956484 LNVWPGARYJOZJS-LBPRGKRZSA-N 418.299 1.864 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)c(F)c1 586864924 RRGCWZOFSZGNIL-UHFFFAOYSA-N 424.476 1.587 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 590913943 BLYAXHJAZPCVBB-MRXNPFEDSA-N 415.490 1.257 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)C[C@H](C)O1 609255811 MGQWCIPKZFVXEF-KBPBESRZSA-N 411.437 1.961 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609489895 GMTAKSAZACHLMI-HNNXBMFYSA-N 424.417 1.408 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 732448402 HDAWYTBYCCWMOK-VXPUYCOJSA-N 415.469 1.616 30 10 HDEE COCCN(Cc1ccc2c(c1)OCO2)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465127 CODPRHIYTVTIFQ-HNENSFHCSA-N 416.434 1.100 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732675946 BHBIBABSFPZYPP-IBGZPJMESA-N 419.551 1.396 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc(C4CC4)no3)CC2)cc1 734879277 AWVYZJNSWLLEBK-UHFFFAOYSA-N 401.448 1.858 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)cc1 742317195 XTXGRPFRIPFIPW-UHFFFAOYSA-N 415.471 1.877 30 10 HDEE C[C@H](CC(=O)NCCOc1ccc(F)cc1F)/N=C1/NS(=O)(=O)c2ccccc21 742642466 ITSZEJMYNBIRBR-GFCCVEGCSA-N 423.441 1.977 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cc(F)ccc1N1CCOCC1 746291285 GZXNWQBAKZHSLG-FMQUCBEESA-N 402.426 1.195 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C1CC1 753987288 FYPHCFBILIGZRZ-YJYMSZOUSA-N 404.492 1.439 30 10 HDEE O=C(CCCCN1C(=O)c2ccccc2C1=O)NCCN/C(O)=C1\N=CC=CC1=O 754223167 ICDSETPSKIZNCD-VHEBQXMUSA-N 410.430 1.096 30 10 HDEE CO[C@@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470636 KQYXCGXNJQJFQI-FQEVSTJZSA-N 422.437 1.744 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 758487436 ZCKXGKUMJGDDDZ-FOTIKMNESA-N 423.395 1.551 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C)C1 760297316 WCUHFIJQWFBTOO-GDBMZVCRSA-N 417.535 1.866 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2nc[nH]c2C1 764893738 XFZKNYQQTKHQES-AWEZNQCLSA-N 415.519 1.682 30 10 HDEE COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 771214978 GBSGYRDZBAJFGE-CQSZACIVSA-N 420.853 1.029 30 10 HDEE C#CCN(C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1)[C@H]1CCS(=O)(=O)C1 774056507 CEYHKEHRFQFRPN-HNNXBMFYSA-N 403.464 1.457 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCN(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 774167497 UNLOBSRPZLQVNE-LJQANCHMSA-N 421.563 1.739 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 780895022 NRFZOVSSLWINRM-UHFFFAOYSA-N 421.441 1.924 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cc1 780922929 VPKPGEDGUUCFJS-NRFANRHFSA-N 406.486 1.970 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2N2CCN(C)CC2)n1 788533807 KKMSOQDTFLNSQJ-UHFFFAOYSA-N 410.522 1.949 30 10 HDEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cnn3ccccc23)n1 789967374 LFTIHIQCIYTPAW-HNNXBMFYSA-N 408.491 1.955 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(N3C[C@H](C)O[C@H](C)C3)ccn2)n1 790105431 IJZCTVRZQJXHNB-HDICACEKSA-N 411.506 1.814 30 10 HDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)CC2(C#N)CC2)CC1 793205319 MGBLAYHOVJHWOB-UHFFFAOYSA-N 418.519 1.700 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 793205403 ZADYHUVJJYWHPW-GFCCVEGCSA-N 417.534 1.041 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2)n1cnc(C#N)n1 798743042 BVOAFIIJXFFAQG-JTQLQIEISA-N 405.798 1.707 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 803923786 ZGRDKLNACIJMOX-LJQANCHMSA-N 417.481 1.745 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)c1ccc(Cl)cc1 810469955 BUXHAWLVRDIGLZ-OAHLLOKOSA-N 423.853 1.816 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 825431088 OBDBJWSWMFVKPR-YFHOEESVSA-N 405.476 1.957 30 10 HDEE CCc1nnc(NC(=O)CSc2nnc(NN=Cc3ccc(C)cc3)n2N)s1 1083934737 RVNTXRIUNDYYDE-UHFFFAOYSA-N 417.524 1.891 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3ncc(Br)cn3n2)n1 1128571168 YQIJNQBFPOKBJG-UHFFFAOYSA-N 417.267 1.610 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncc(-c2cnccn2)s1 1129876703 BUAVSQPTUZJBSK-UHFFFAOYSA-N 400.445 1.277 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(C#N)cc3[nH]2)cc1 1131906324 BJPBFLCQOOPKLQ-UHFFFAOYSA-N 411.443 1.549 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1 1140097952 YYDWYMLYOLLUIF-HUUCEWRRSA-N 413.540 1.951 30 10 HDEE C[C@@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1154292154 RIFRCHOJJRGDMQ-ORAYPTAESA-N 406.442 1.797 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([C@@]2(C)COC(=O)N2)CC1 1155591973 QXHATKQBEUIIGC-OAQYLSRUSA-N 410.478 1.888 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 1165508515 QOXIHSOWOPPESB-UHFFFAOYSA-N 407.471 1.220 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cc(C)ccc3C)c2C)CC1 1175515071 QRYZFGHWUKYNPF-UHFFFAOYSA-N 415.519 1.023 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cn1 1176167127 NITCUERATKOIFN-QUCCMNQESA-N 418.519 1.088 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)C[C@H]3CCCO3)C2)C1 1177981816 QBIJKUSCSFLFES-DSESUSJESA-N 407.511 1.819 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1228822250 XZDMIDOWSGJHHE-KFWWJZLASA-N 417.514 1.870 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)n1 1248553648 WZRLCRNDTZCQOG-GFCCVEGCSA-N 405.260 1.639 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@]2(F)CCS(=O)(=O)C2)CC1 1264914686 ZAYJRXNJPLSXHO-IBGZPJMESA-N 402.451 1.282 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1286276988 VJWMKUXWVSQMOZ-UZLBHIALSA-N 401.515 1.538 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1286317778 QROIKHICMCQOCQ-NVXWUHKLSA-N 421.523 1.863 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286333845 CBZHZUWWQNWLTR-GCJKJVERSA-N 415.538 1.933 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286358051 GINKOISLDVEMDS-RCCFBDPRSA-N 403.527 1.911 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cnnn1 1286404339 QHJBQJKVSFHQDV-UHFFFAOYSA-N 410.869 1.757 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1286431900 SIQRXIHDQYGPSP-RTBURBONSA-N 417.579 1.518 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCOC1 1286768687 CVJPRYCGPUNFII-OAQYLSRUSA-N 412.494 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(C(C)C)CC1 1286819608 PRQBKMWDTXFTRE-UHFFFAOYSA-N 418.567 1.780 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)CC1CC1 1288524487 DBLMBDDLOLNSTD-HNNXBMFYSA-N 402.524 1.827 30 10 HDEE C[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1291297782 CTDVWCAFPUDJIF-HYVNUMGLSA-N 407.540 1.593 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)CC2)o1 1298035537 BFVPBQNEYSJUFG-HNNXBMFYSA-N 409.437 1.834 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1298691149 WWBTYSRENWSMKH-AZUAARDMSA-N 416.474 1.442 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300504855 USWQAVSRBNIBSO-LSDHHAIUSA-N 423.564 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCO2 1300545844 XAYQFYSNDNNCMN-UHFFFAOYSA-N 403.486 1.847 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1300637592 HHWQKNXVQOYTOH-UHFFFAOYSA-N 420.395 1.867 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1300762601 KMGALBYYCLPNPM-MRXNPFEDSA-N 412.581 1.409 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1NC(=O)C[C@@]12CCCC[C@H]2C 1300780118 GYKJKUJPUGCZAY-BIENJYKASA-N 404.492 1.437 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(=O)NC 1300889640 DCOTYEOCPFSHCC-FXAWDEMLSA-N 415.542 1.693 30 10 HDEE C[C@H](c1ccccc1)[C@@H](O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1301354174 LMCDBSZBOVNVFD-QAPCUYQASA-N 415.515 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)NC(C)C 1301585220 IRHXMIBBWSZNHT-OAHLLOKOSA-N 413.544 1.081 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1303534954 PTVQBTVPORMIAF-UHFFFAOYSA-N 422.503 1.008 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cc(C#N)ccn2)CC12CN(C(=O)OC(C)(C)C)C2 1304078720 JUWMMZDSONJULG-AWEZNQCLSA-N 400.435 1.435 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)C(C)C 1311389126 VJURWIJVVXHREL-LJQANCHMSA-N 407.559 1.065 30 10 HDEE CN1C[C@@](C)(Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)C1=O 1314924232 WJDACDNKSGENNY-QFIPXVFZSA-N 422.537 1.647 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1315607349 AAFAWSJHGZEUAB-OAHLLOKOSA-N 403.508 1.798 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316540883 OVENGGIHRITVDE-WOJBJXKFSA-N 416.570 1.976 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1354194000 RZXCXQIFBPGIPS-CVEARBPZSA-N 410.492 1.636 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)F 1358896818 MNINBSUTPPODKX-LLVKDONJSA-N 410.450 1.109 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCCCC 1358977713 UHKCQVJXXBQUAB-SFHVURJKSA-N 406.490 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSC(C)C)CC1 1359045916 YBPGROWJFBJXNI-KRWDZBQOSA-N 405.568 1.889 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359126722 XFVPKFNVGJOWPU-KRWDZBQOSA-N 420.558 1.558 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359303671 WXSMPHLBZBSQJJ-MOPGFXCFSA-N 422.533 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1359333318 UITUAOIZWWWSGQ-LJQANCHMSA-N 408.499 1.678 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)C1 1360038669 GVJLXUANTQXDEX-ULQDDVLXSA-N 403.531 1.324 30 10 HDEE C#CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@H]1CCS(=O)(=O)C1 1360055531 SYJHUKAQYPXIRL-ZDUSSCGKSA-N 406.395 1.182 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)C1 1360783577 MUWVRTCOTNBNLD-LJQANCHMSA-N 418.523 1.531 30 10 HDEE C#CCN(C(=O)COc1ccc(Br)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1435067956 DCHIAVBFTDWYKZ-CYBMUJFWSA-N 400.294 1.785 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1446700379 RVFHTUYLQBVTTM-HNNXBMFYSA-N 413.446 1.303 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2ccc3c(c2)OCCCO3)cc1 1455879049 KBHOWGUGYKDXSC-UHFFFAOYSA-N 414.483 1.993 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(S)nc3c2)C1 1456811017 SPUPUDSBBFYTFK-UHFFFAOYSA-N 405.479 1.748 30 10 HDEE C#CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1nccs1 1457332357 AVQBFYVGKZPDFC-UHFFFAOYSA-N 413.459 2.000 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1463454071 PIMICCPDMMYDLO-WIUDPPPLSA-N 411.343 1.925 30 10 HDEE CN(Cc1nnc2n1CCC2)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1463949859 PQRJBRLZMQQYTG-UHFFFAOYSA-N 415.295 1.953 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464924255 KCHLJLCPPRSHQX-VZHUHSAUSA-N 406.483 1.665 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)CC1 1465808105 NIVATHZBURGJLT-UHFFFAOYSA-N 408.476 1.649 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@H](CO)OC(C)(C)C3)C2)C1 1469188643 QSTBOFFUWPNGQO-KXSVDRQTSA-N 407.511 1.772 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)on1 1471126901 NBAVMGKGKIQEHE-UHFFFAOYSA-N 401.398 1.894 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CCO1 1505323888 ZDTZNXNQBRZTIV-SJORKVTESA-N 402.499 1.697 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507632439 LIZJXTDKWKOIGU-HOTGVXAUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@@](C)(O)c1ccccc1 1507636897 FMLBLXKHOOVNBO-HSZRJFAPSA-N 405.502 1.885 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507722769 ICZUUQQEVAUBSE-LEWJYISDSA-N 420.517 1.623 30 10 HDEE CC(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1508395418 OWLHRXGLGLUQCQ-FXAWDEMLSA-N 414.441 1.759 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516953121 OLYORTQXPKUOEU-UHFFFAOYSA-N 420.477 1.677 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1517156781 KRHYTWPTLLPZIK-MSUUIHNZSA-N 412.498 1.472 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1518636600 CWJSOSKDNXTXDN-OKZBNKHCSA-N 410.478 1.180 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1cnn(C)n1 1519294392 KEBORNKARHJFKI-OXQOHEQNSA-N 416.530 1.893 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 1519627970 IFEYZGKHFGOQEL-DNVCBOLYSA-N 407.536 1.902 30 10 HDEE CS(=O)(=O)CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1523814900 RAPDUVSEPJBRDQ-AWEZNQCLSA-N 411.911 1.896 30 10 HDEE Cc1ccn2ncnc2c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1526817258 FWYZPTRVUXGUEM-OAHLLOKOSA-N 403.402 1.753 30 10 HDEE N#C[C@H]1CN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CCN1C1CC1 1535121602 GIDGWSDTRMSQLA-HNNXBMFYSA-N 401.268 1.842 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)COc1ccc(C#N)c(Br)c1 1537944182 IFJGQESKCAKUEZ-QWRGUYRKSA-N 403.298 1.980 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1539400565 HLPBKZKIAXDTRW-UHFFFAOYSA-N 423.315 1.220 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ncccc2F)CC1 1539445935 KXXWJYWEYWFIDL-UHFFFAOYSA-N 408.441 1.103 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1539650522 RMGYIXMHKGVUFE-RXBISOJRSA-N 419.617 1.838 30 10 HDEE N#Cc1c(CCCNC(=O)C[C@@H]2CCCS2(=O)=O)nn(-c2ccc(F)cc2)c1N 1540746611 BRRCQMLKUVDTRV-HNNXBMFYSA-N 419.482 1.481 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1540897674 PGUVZWYDMMOHRC-UHFFFAOYSA-N 407.544 1.062 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)CC1 1540908027 ONSRCNDARBEVMI-UHFFFAOYSA-N 408.572 1.202 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCSCC2)CCOC1 1541105990 PFKCZUVHVRVAPI-YLJYHZDGSA-N 422.599 1.963 30 10 HDEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978823 YRGNKOUNLLZGPS-XQTVBXIXSA-N 412.512 1.275 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1547744034 GFZHFUINUDCDGA-MRXNPFEDSA-N 409.494 1.291 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1547891769 DMLHYGBTORSNCP-FOIQADDNSA-N 401.467 1.916 30 10 HDEE CCOC1CC(O)(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)C1 1548036623 QGBRSCBXGOJFGA-MZMPVIPJSA-N 411.478 1.374 30 10 HDEE C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1556216795 FRZBTUPHQGNSDP-WBMJQRKESA-N 402.838 1.853 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)C(=O)OC 1556375973 XXMKMKNUJQBKSF-HOTGVXAUSA-N 407.467 1.378 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1556382091 UDURQUNUHOHDHS-QRWLVFNGSA-N 407.467 1.836 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nn1 1556453777 JQRNKAXTQIQJLU-FUHWJXTLSA-N 402.886 1.725 30 10 HDEE C[S@@](=O)C1(C(=O)N2CCN(CCC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1557982119 YBBNBTDKAZMXGZ-MUUNZHRXSA-N 412.556 1.192 30 10 HDEE N#Cc1ccccc1Oc1ccccc1C(=O)NCCc1nnc2n1CCNC2=O 1558355155 DAJVETHUYDGUJD-UHFFFAOYSA-N 402.414 1.658 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 1558973737 FGPJRPOQWWDVJK-SCTDSRPQSA-N 403.479 1.644 30 10 HDEE CC(C)(CC#N)CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1563966548 CWUILRKECLUUQN-MRXNPFEDSA-N 401.515 1.521 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)COc3ccccc3C#N)nn2)C1 1584046536 LADLHTJCQCWTRZ-UHFFFAOYSA-N 412.450 1.637 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)CC2=O)cc1 1584365937 OBLCKTYBTQWRNK-INIZCTEOSA-N 420.429 1.563 30 10 HDEE N#Cc1ccc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)c(I)c1 1584667214 PRKDQSITMLWCEK-UHFFFAOYSA-N 420.170 1.186 30 10 HDEE C#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 1587814590 FTOCQNCWWSVTMH-FQEVSTJZSA-N 404.532 1.948 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1587851673 MGQPTWHWKOFUHM-SJORKVTESA-N 408.510 1.538 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1587879562 VZDLAFPTWXQDCK-GOSISDBHSA-N 422.537 1.709 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1587989085 GRESKNRDQWNGDU-CYBMUJFWSA-N 410.446 1.607 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1588128164 FNOYTXNSPIXRBL-LBPRGKRZSA-N 401.364 1.219 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2c(CC)nn(C)c2OC)CC1 1588800885 QHSUOINTJWADLP-UHFFFAOYSA-N 420.521 1.448 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589581560 SSXFJOPPFIZGIZ-MANSERQUSA-N 419.526 1.452 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(OC)CCOC1 1594956677 OXYCKPFBVHYKNX-OAQYLSRUSA-N 413.526 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C#N)C1 1595773103 QHVQJBVQYFQAAP-GOSISDBHSA-N 415.519 1.837 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCNC(=O)[C@H]1CC 1595823214 LVWDJRNRRDXLHD-MRXNPFEDSA-N 409.556 1.326 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1596775392 VQJONLYKGVTSJJ-UHFFFAOYSA-N 414.487 1.528 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1596832319 VDDFRWIOZYTVJZ-NEPJUHHUSA-N 409.434 1.703 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)C2)nc1 1596977333 GOIBCQHDKYIDPB-MRXNPFEDSA-N 407.430 1.515 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)OCC)c1 1597951659 UBXBGTUHHHIDNG-KRWDZBQOSA-N 424.519 1.465 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)o1 1612012584 BSEUARCSHIIZBS-DZGCQCFKSA-N 406.512 1.866 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)F 1613478126 DZYVBPMYZZXBRT-JKSUJKDBSA-N 418.448 1.930 30 10 HDEE CN(CCC#N)C(=O)CCN1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1618346047 ARHFOVMLJICISG-QGZVFWFLSA-N 419.530 1.702 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)NCc3ccnc(C#N)c3)CC2=O)cc1OC 1618793921 UDBVVADUAUNJQK-QGZVFWFLSA-N 408.458 1.678 30 10 HDEE COCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619845561 HZBHAMXCXYCPRN-INIZCTEOSA-N 419.493 1.753 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1=O 1626888593 HKXJKGFYRAKOJS-OAHLLOKOSA-N 401.419 1.116 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 1628633116 XVKLPVZIFNJCBS-GOSISDBHSA-N 421.519 1.792 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(N)=O)Cc2ccccc2)s1 1628835951 AYJGSEQNUQOHNZ-UHFFFAOYSA-N 407.517 1.269 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCCc4nn[nH]c43)c(C#N)c2N)cc1 1629235902 DGJUNGNJNDDHMH-HNNXBMFYSA-N 404.478 1.922 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)cn1 1629376150 DCAXLLKURQPFTD-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1630888780 QHHCUZMGIIEFED-MRXNPFEDSA-N 422.356 1.448 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1637035349 URKQHLQQFXEBMS-LJQANCHMSA-N 413.499 1.836 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1 1637097981 YQAKOPPROWSLCF-WOJBJXKFSA-N 410.518 1.899 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1637390422 UOQFLKWUPNZUNO-CABCVRRESA-N 413.312 1.946 30 10 HDEE C=CC1(CC(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)CN(C(=O)OC(C)(C)C)C1 1640294798 JMUJLFZFKSGCAR-UHFFFAOYSA-N 404.467 1.935 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 1640712076 QMTYPGLCRMCFFE-CQSZACIVSA-N 421.519 1.996 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1641040643 JUJPXIYUEBEFHA-OAHLLOKOSA-N 403.483 1.450 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CCCON1C(=O)c2ccccc2C1=O 1642277589 YLDGZAQRHBEPMN-HNNXBMFYSA-N 406.446 1.477 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1644284842 NSBPWUVQCNRARV-HNNXBMFYSA-N 422.507 1.536 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1645160656 MPPQSMRBVIHXLB-RTBURBONSA-N 421.563 1.933 30 10 HDEE C#CC1(O)CN(C(=O)c2cn(C)nc2[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1648357831 BTUIJYNAPWPTIU-SFHVURJKSA-N 422.485 1.756 30 10 HDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCC1 1652398865 WWSNZCYMMKSFJO-OWCLPIDISA-N 410.536 1.719 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653759631 FDWPJXKPQKWKIM-UHFFFAOYSA-N 422.420 1.388 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC3(CO)CC3)nnc12 1654571210 GERODQUKLBWBSG-UHFFFAOYSA-N 413.503 1.601 30 10 HDEE N#Cc1c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)sc2c1CCCCC2 1654909874 YPVHDANQGCLICN-QGZVFWFLSA-N 402.520 1.712 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)C3CCCC3)C2)CC1 1655318453 CVNANXRLWWSHBE-MRXNPFEDSA-N 411.524 1.276 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1659309093 KNHDQMCDHTVQSO-JKSUJKDBSA-N 418.538 1.592 30 10 HDEE C#CCCN(CCOC)CC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1 1659555905 UPOUOMCMACXMRP-FQEVSTJZSA-N 404.532 1.919 30 10 HDEE C#CCN(CCc1cn(CC(=O)OC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1660152751 VPBFGMJCDIUFFP-UHFFFAOYSA-N 405.499 1.328 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OC 1664237451 BAOWVXRXXFPVQS-ZDUSSCGKSA-N 409.913 1.920 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OCC 1671198927 IWPMKIDCESCEFJ-DOTOQJQBSA-N 411.476 1.729 30 10 HDEE C=CCCOCCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1679687512 ROSHPZSDRMNNPN-INIZCTEOSA-N 412.531 1.642 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 1681546489 MELXBBMJJDIINF-IEBWSBKVSA-N 404.461 1.853 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)CC1CCCC1 1686051146 YCFWWADEKWPSOD-GFEQUFNTSA-N 403.523 1.522 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1686847884 GJSRRMOLJMPQRX-YJBOKZPZSA-N 408.524 1.017 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1689853566 VYAZRIHUROCNHG-YOEHRIQHSA-N 421.498 1.256 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1689875665 YZRSYKBNKHFHLX-LSDHHAIUSA-N 420.543 1.162 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1689887137 PYAOIGLJOKINMY-QZTJIDSGSA-N 400.527 1.191 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1689913521 PNJUHNGSCTVFNX-OAHLLOKOSA-N 424.571 1.187 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1689966651 YCAKBWYRIVLRCX-OAQYLSRUSA-N 424.549 1.888 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689989486 FWEPXIMOXYVHGI-CQSZACIVSA-N 422.580 1.702 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCOC1 1690043868 QSEPOGWSFONGEK-QFIPXVFZSA-N 418.457 1.208 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OCCOC)CCOCC2)CC1 1690372140 BKXXWDOMDFBWIQ-KRWDZBQOSA-N 419.526 1.598 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690663225 PYZXFLRFGUUYFW-OAQYLSRUSA-N 421.461 1.150 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1705487154 STOMXHZWOXIFSL-IRXDYDNUSA-N 411.506 1.895 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1705559420 AMOVXWDHSYHBLF-FUHWJXTLSA-N 405.568 1.513 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccn2)CC1 1705648340 RLOBZXPTNYKSEY-GOSISDBHSA-N 408.506 1.386 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1705733752 YCGFQACUUWRRCJ-HNNXBMFYSA-N 400.458 1.891 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCC1(O)CCOCC1 1708701182 CEQMZOGPVCMWSG-HNNXBMFYSA-N 406.531 1.866 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1=O 1711278840 ABOHDTXTLIBCSX-UHFFFAOYSA-N 400.508 1.211 30 10 HDEE CNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1711403115 HRQHBZXJPYEUKQ-UHFFFAOYSA-N 411.485 1.704 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1712876693 SQMHRONUJVSPMJ-YJBOKZPZSA-N 411.503 1.439 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722313580 WWDLQGDBMRARQH-FQEVSTJZSA-N 406.490 1.962 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccnc1OCCOC 1722393481 CQXMUKUBNYHWCH-UHFFFAOYSA-N 417.473 1.667 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCC(OC)CC2)CC1 1722431293 NRPNDPGHJZQKBM-HDYDNRTBSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 1722437045 OWCDGZNXZZOGQD-QGZVFWFLSA-N 414.460 1.505 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1722440188 AHRBQKBVADQRFU-MRXNPFEDSA-N 416.570 1.846 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722525098 MNBVCUKQVVWUFX-MRXNPFEDSA-N 421.509 1.353 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nnn(C)n1 1722643734 ZACWLUZPDHTZAP-UHFFFAOYSA-N 419.287 1.814 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1722663585 BPUIBCADZKJLLZ-CQSZACIVSA-N 424.552 1.033 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1722711356 DCTSIJPTZXEQMR-GJZGRUSLSA-N 413.482 1.053 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1727800466 GTLDBYWRPHBAQJ-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1730819808 QYJBYMNIKPTUNX-CABCVRRESA-N 413.544 1.423 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1740608999 GEMMQFWBDYCZKH-OAQYLSRUSA-N 413.526 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740637037 NVZKBIIEXXCCOX-UHFFFAOYSA-N 410.478 1.640 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@H]1C 1740688892 WNILGOZFUSEFSL-FDDCHVKYSA-N 423.517 1.907 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(F)c2)CC1 1740700852 KVAMEKBBSURCQP-ICSRJNTNSA-N 413.497 1.945 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC(C)C)CC1 1740704498 PFDARYCHFKEFJN-UHFFFAOYSA-N 413.526 1.460 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCN(CCC)C2)CC1 1740708162 FEVPXWBUTBZWBM-IBGZPJMESA-N 412.582 1.928 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(CC)C1 1740994134 JGCNQRQVRVURHC-IBGZPJMESA-N 409.556 1.628 30 10 HDEE Cc1cc(C)cc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1742114669 HFDBSUNPDOISSM-IBGZPJMESA-N 424.505 1.939 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1742834489 HLUCNZWISHZINF-ROUUACIJSA-N 424.553 1.679 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745095064 DNJJPELPCMMPLG-SWJNODNISA-N 421.509 1.572 30 10 HDEE CCOC[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747268500 RVRYXNOWSGBZES-RAJOGRCSSA-N 402.499 1.620 30 10 HDEE Cn1cc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cn1 1748015035 BOCAOIAMEMMSNN-INIZCTEOSA-N 421.465 1.020 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1748641058 ZBNHXOOTTHKJQI-UONOGXRCSA-N 406.512 1.188 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCCC[C@@H]1C 1748771249 HJYSIQRFHSZQHH-DLBZAZTESA-N 410.588 1.612 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OC)CC1 1748993659 HJXQCVNAJUNYDK-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC 1749599294 BBUVYQLNMHYNKF-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749677081 MMVUPGLKXBUGIX-ZBFHGGJFSA-N 405.524 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749722036 ZPWQHVKUZGOSNK-KGLIPLIRSA-N 404.558 1.016 30 10 HDEE COCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1749757263 ICDKHOKOPPDFSG-ROAZCBAYSA-N 404.471 1.129 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2nc(C)no2)n1 1751844902 HHTZNNMTJJAEKE-LJQANCHMSA-N 413.461 1.906 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760120137 ISASKRXTOVIYDP-AEFFLSMTSA-N 416.547 1.965 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1760174765 HYPNFBITWBTQQZ-SFHVURJKSA-N 417.535 1.232 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C1OCCO1 1760193150 VCSURKORLHGXNK-UHFFFAOYSA-N 407.474 1.583 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760284653 QOOCXZQKIMUIID-KRWDZBQOSA-N 417.510 1.326 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C)C1=O 1760419290 NLOGRUZGZQNHSC-JXFKEZNVSA-N 423.583 1.841 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760427867 KERBMGIMXMSMJX-ARFHVFGLSA-N 407.540 1.251 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1760452017 BDMNSNMVBMDNIZ-QGZVFWFLSA-N 424.505 1.988 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1760464743 NZBGCDSZNXXQMI-OAHLLOKOSA-N 406.508 1.890 30 10 HDEE C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760512769 IDBUOZQDRVDGBN-UHFFFAOYSA-N 405.524 1.820 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H](OC)C1 1760528093 RSQIMLQOQHBYMK-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(F)(F)F 1761221975 YETVDMUZFJDWTE-UHFFFAOYSA-N 409.372 1.514 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cn1 1764934501 AZBBZRADJOAQKJ-IAGOWNOFSA-N 424.509 1.247 30 10 HDEE COC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1767952107 MFTDLBIJNDZCQE-CQSZACIVSA-N 400.439 1.573 30 10 HDEE CNC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1769338367 BFJSELKYVUILBY-FQEVSTJZSA-N 404.515 1.585 30 10 HDEE NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)ON1C(=O)c2ccccc2C1=O 1772790946 YUGCXYITHXAYDT-CQSZACIVSA-N 415.789 1.068 30 10 HDEE Cc1cccc(C#N)c1NC(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1851991251 UCIYDRZYJBPLFP-UHFFFAOYSA-N 404.414 1.914 30 10 HDEE CN(C(=O)c1cc(C(F)(F)F)nn1C)c1snc(N2CCOCC2)c1C#N 1852640334 HJFMECOKOPLORI-UHFFFAOYSA-N 400.386 1.880 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CO[C@H]1CON(c3ccc(C#N)cn3)C1)CC2 1853029195 RBPFRLNFNNVRKX-GOSISDBHSA-N 424.457 1.692 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)Nc1c(F)cc(C#N)c(F)c1Br 1853066187 JXSQTYXZSHCIRI-SECBINFHSA-N 422.207 1.140 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1853629450 PQQRIWSPVXGPRQ-CRAIPNDOSA-N 405.445 1.601 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4coc(C)n4)CC3)CC2=O)CC1=O 1853639032 UGCVNKQGVYCJMN-ROUUACIJSA-N 414.506 1.605 30 10 HDEE COC1CCN(C2CN(C[C@@H]3CCC(=O)N(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1853857370 GHIALBZHYLRQFA-SFHVURJKSA-N 410.518 1.732 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)c4ccccc4S3)C(=O)C2)C1 1855028409 XVPJKOMQVVNJHT-BEFAXECRSA-N 412.515 1.392 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)Cn3cnc(C4CC4)cc3=O)C1=O)CC2 1855176384 KMFWUOBTNHRLQI-WMZOPIPTSA-N 409.490 1.264 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1C[C@@H](OC(=O)c2ccc(C#N)cc2)CO1 1855421074 WFSSSGXIVTWZLZ-OAHLLOKOSA-N 406.391 1.867 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734665 UVTDZZZABYELDG-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC[C@H](Cn4nccn4)C3)CC2=O)cc1C#N 1856168582 LJBSZXBKGXVQKJ-ZWKOTPCHSA-N 406.490 1.859 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCC#N 1856198185 FZLUGZXWPBKCCE-STQMWFEESA-N 400.426 1.604 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1ccnc1 1857074094 BCHZBFCEDUKUNG-SJLPKXTDSA-N 407.478 1.051 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)n1 1857117146 MWKPRZGDAXAQFB-IEBWSBKVSA-N 412.490 1.598 30 10 HDEE Cc1cnc(N(C)[C@H]2CCN([C@H]3CCN(C(=O)c4ccc(C#N)cc4)C3=O)C2)nc1 1857146114 KUCDJJDPLQZWBA-OALUTQOASA-N 404.474 1.609 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861199091 ZGEJXRSJYUPSLJ-AEFFLSMTSA-N 404.486 1.090 30 10 HDEE C=CCNC1=C(c2ccc(Br)cc2)C(=O)N(CCN2CCOCC2)C1=O 1863559977 HMTCBQGMNIZOCP-UHFFFAOYSA-N 420.307 1.637 30 10 HDEE N#Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 1863981422 ONORAAMRYPESSJ-UHFFFAOYSA-N 416.846 1.637 30 10 HDEE O=C([C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1)N1CCC(CO)CC1 1869929792 NNPIJYWQAYRWPE-IBGZPJMESA-N 413.499 1.697 30 10 HDEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870510059 URTZXXQZFOABTR-UHFFFAOYSA-N 405.495 1.277 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1 1874435587 OAHOYHMPRIIJNT-KEBDBYFISA-N 405.480 1.850 30 10 HDEE CC[C@@]1(NS(=O)(=O)N2CC(C#N)C2)CCCN(C(=O)OCc2ccccc2)C1 2054405155 JELGRMXOUBXAHY-LJQANCHMSA-N 406.508 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nccc(C#N)c2Cl)[C@@H]2CS(=O)(=O)C[C@@H]21 2174813583 YCMWNBAYIYKNFG-OLZOCXBDSA-N 412.899 1.829 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387457 URQMNZRVVJLLDN-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247821305 XRMZOSYBIYUWBB-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857716 XLSGKUNOYNTZHB-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247932382 IDFMXLJCDQSOLE-UHFFFAOYSA-N 422.331 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003565 ZIAWJMZTIBQHNM-OAQYLSRUSA-N 422.331 1.747 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@](C)(C#N)C1)NC(=O)OCc1ccccc1 2258169907 KKGCUUSCTQGPAO-MAUKXSAKSA-N 409.464 1.020 30 10 HDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258183042 MIUISORRZCMDDF-CYBMUJFWSA-N 424.397 1.746 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=S3(=O)CCOCC3)cc2)OC1(C)C 2282343007 NSDWFUPVICOSQN-UHFFFAOYSA-N 401.315 1.173 30 10 HDEE C[C@H]1CSCCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282408707 JWIUEPJBKBIRNK-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE COC[C@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495389 LSULHCQSKTYLPI-BXUZGUMPSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@H]2CN)OC1(C)C 2282503060 TZMXGHRJIMAEKD-LBPRGKRZSA-N 401.363 1.085 30 10 HDEE CO[C@H](C)CCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505386 CLDJZQGNXYMXCT-GFCCVEGCSA-N 404.363 1.629 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282831812 FBZCKOYKQHWAMW-KRWDZBQOSA-N 423.340 1.868 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834872 YOMIBSCUZGIEGU-VWLOTQADSA-N 401.359 1.341 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]2(C#N)CCSC2)OC1(C)C 2282846883 QIZSXTKNOXSCLQ-OAHLLOKOSA-N 415.371 1.261 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H]2CCCS(=O)(=O)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282874160 WKXGVZKBWURGMS-KBPBESRZSA-N 405.347 1.013 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)OC1(C)C 2284396949 ZSUVTAKGBKPZGQ-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409585 LFJJOMBCGAZYON-MRXNPFEDSA-N 403.331 1.825 30 10 HDEE CCN(C(C)(C)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284417530 MPKUHDJTIHRPAC-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccncc2)C1=C(O)c1ccncc1 2296136238 WQLHOAPXKMNDIP-IBGZPJMESA-N 408.458 1.621 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccco1 2330794241 IAFGFZHUAKQYMC-UHFFFAOYSA-N 412.475 1.798 30 10 HDEE C=CCN1CCN([C@@]2(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)[C@@H](C)C1=O 2345080043 HUIXNKFZYXKOIJ-KKSFZXQISA-N 401.463 1.571 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2362568974 KUBOBVQTCJVIFR-UHFFFAOYSA-N 402.347 1.385 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)[C@@H](C)O2 2365200663 ADKKTPSPGQTFIX-TWKYDXJASA-N 400.541 1.616 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2C1 2365205566 BRDVSTSISYERLX-QCUYGVNKSA-N 400.541 1.148 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CCC2 2365209318 FREIZRCMNHBASS-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(F)cc(F)c21 13791926 NAYTZNXODLPRIT-QKRFLKLASA-N 413.471 1.713 30 10 HDEE CCNC(=S)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59146521 GKRJPYZHPCRBCD-QJOMJCCJSA-N 421.482 1.518 30 10 HDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1ccncc1 103128530 WMDCPZPPEKGZNW-LAFOYAEKSA-N 409.442 1.836 30 10 HDEE COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 410002800 ZLEHMTZPOAMGKR-GFCCVEGCSA-N 404.452 1.143 30 10 HDEE COc1cc(CNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)ccc1C#N 427151078 TTZBHVVNKXAYSX-UHFFFAOYSA-N 406.328 1.523 30 10 HDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 429253161 AIVQDYIRUUNBAA-LJQANCHMSA-N 420.473 1.836 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CCO)[C@@H]2CCO[C@H]2C)c(C#N)cn1CCOC 432415502 CTFCFOGOZMAURZ-DZGCQCFKSA-N 408.455 1.186 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H](CNC(N)=O)C2)CC1 446636410 FTOHAMWKYNGYAN-ODIFPOPNSA-N 400.483 1.733 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C[C@@H](C)O1 480619433 ZZZJRUIPCZKIQM-IIDMSEBBSA-N 412.943 1.876 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 482191590 GXRDDGOGCRVENZ-OAHLLOKOSA-N 424.482 1.388 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)no2)c1 486001510 ITKOPHRCMJOXJR-GOSISDBHSA-N 404.430 1.630 30 10 HDEE CCc1nnc(NC(=O)[C@@H](C)[C@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 489875606 SDBKWMJDWFBGRZ-UWVGGRQHSA-N 408.509 1.617 30 10 HDEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505244930 NXTAISMZUYURAX-AWEZNQCLSA-N 406.508 1.854 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 508472600 KJTRYCUKAFTGAN-SFHVURJKSA-N 424.549 1.875 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508482577 YROQPXGRETWGSX-VBKZILBWSA-N 412.450 1.127 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508911674 BVDHLJQGGLOCTE-UHFFFAOYSA-N 408.422 1.626 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(OC3CCCC3)c2)CC1 522308931 NDNCYSIMSMMQRF-UHFFFAOYSA-N 401.511 1.532 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCO[C@@H]2c2ccccc2)CC1 522318160 SWGGDJOGJHTILZ-TZIWHRDSSA-N 400.523 1.784 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 533436118 CRGFJKKTWASYCO-UHFFFAOYSA-N 407.536 1.620 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 534464232 DPWDJNZGWHZGEM-OAHLLOKOSA-N 409.471 1.931 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](NC(N)=O)C1 535713928 ZHVSVVQHLDOXKO-LLVKDONJSA-N 411.256 1.367 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545461769 BUFYSRNNETUWPC-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(CCN(C(C)C)S(C)(=O)=O)no3)cc2C1=O 545638939 NSVDIBAJJPSYHL-UHFFFAOYSA-N 418.475 1.731 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 549515262 GPDFAACBFQVJDN-GOSISDBHSA-N 417.535 1.816 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@@H]2CCCO2)cn1 555410961 KMXXTYLVBZEODL-SFHVURJKSA-N 419.493 1.451 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)C(F)(F)F 557437343 PTVTUCYECGZVAM-CYBMUJFWSA-N 408.402 1.059 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 578672966 BVYUTBARRBHVEP-HNNXBMFYSA-N 409.556 1.592 30 10 HDEE CC(C)(C)c1nnc2ccc(N3CC(CNc4nc5c(cc4C#N)COCC5)C3)nn12 585594163 FPBFHTBEWNAVIJ-UHFFFAOYSA-N 418.505 2.309 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c(C)c1 603798896 PIHPEDPPIVOOBI-GOSISDBHSA-N 423.538 1.487 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)[C@@H](C)C1 615326113 ZHXPBNDZIPJRAI-AWEZNQCLSA-N 407.430 1.763 30 10 HDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 725764085 IGLYNXDXTCZJOY-UHFFFAOYSA-N 404.835 1.535 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 728038903 ALHSKTGHEGAILP-UHFFFAOYSA-N 422.428 1.846 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 730723407 GSJMDBAQAMHWFS-DFBGVHRSSA-N 424.486 1.944 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 731213620 IPYVEFBLKSQFFD-SFHVURJKSA-N 405.520 1.229 30 10 HDEE C[C@H](C#N)CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CC1 754370618 DZWTZUVUIJSKQP-CQSZACIVSA-N 403.508 1.720 30 10 HDEE C#CCNC(=O)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 756749201 LKRWYJFLGITJQW-NSHDSACASA-N 402.266 1.152 30 10 HDEE N#C[C@H](C(=O)CN1CC[C@H](C(N)=O)c2ccccc21)c1nc(O)c2ccccc2n1 759469740 CBFSAIHUSYQSCC-GOEBONIOSA-N 401.426 1.991 30 10 HDEE Cn1nc(Br)cc1C(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 759685987 DDJIHEGCTGJOMW-LLVKDONJSA-N 406.196 1.730 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCO1 760506962 NHFAXSBFBCCGQD-LRDDRELGSA-N 410.496 1.324 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 760620875 PQRSLVZYDAVTJW-UHFFFAOYSA-N 407.496 1.026 30 10 HDEE CCOC(=O)N[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)CC(C)C 760675355 PQKAJVDRVJNWED-QGZVFWFLSA-N 402.499 1.946 30 10 HDEE CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 764393352 IVMUPDQYCOCKPQ-UHFFFAOYSA-N 421.519 1.941 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 765170354 NQKYKBHZQIGIDK-GFCCVEGCSA-N 416.571 1.991 30 10 HDEE C#CCN(C(=O)Cc1ccccc1I)[C@H]1CCS(=O)(=O)C1 771296335 LHZBXDFUTQSQTN-ZDUSSCGKSA-N 417.268 1.483 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1nnc2ccccn12)C(C)C)c1cc[nH]n1 772177491 WVTFXPIJMBQTOX-INIZCTEOSA-N 413.438 1.250 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 773570020 UIQOPKHVQKVKGG-HOTGVXAUSA-N 400.483 1.652 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)OC1(C#N)CN(C(=O)OC(C)(C)C)C1)C2=O 774236632 MVROAOKSJNGKDU-UHFFFAOYSA-N 420.466 1.543 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774264456 WIOPMOPPCZQSBD-DZGCQCFKSA-N 413.902 1.890 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1C1CC1 777752407 MPKMQXZURMEKFI-WMLDXEAASA-N 405.861 1.966 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 780014256 WSKQWOJCKNUJSZ-SFHVURJKSA-N 411.480 1.093 30 10 HDEE C#Cc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nc1 780561288 LLRVZMXRZDDUSI-IBGZPJMESA-N 406.490 1.058 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@]3(CC(C)(C)OC3(C)C)C2=O)n1 788366952 RXNJKTATLQJHDJ-NRFANRHFSA-N 417.510 1.190 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc(OCC3CC3)cn2)c1 790372115 ZBCNEZPINXKJNJ-UHFFFAOYSA-N 420.469 1.752 30 10 HDEE C#CCN(CC#CC)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 813026283 RQBYIUPQUWPVGI-IYDISJPVSA-N 412.489 1.951 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)[C@H]1CCS(=O)(=O)C1 813241145 YKIWWUCQMDKJGI-YJBOKZPZSA-N 418.519 1.499 30 10 HDEE CCN(CC)C(=O)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 920751382 IMZGHBRXQXCHLG-OAHLLOKOSA-N 401.492 1.494 30 10 HDEE CC(=O)[C@@H]1CC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)=NN1c1ccccc1 1124650010 CLHLXCSWGFTXJJ-KRWDZBQOSA-N 407.434 1.280 30 10 HDEE C#CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1125883022 FIPOPVNGTYXANN-LBPRGKRZSA-N 403.426 1.430 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](C(=O)NC)C1 1129905926 SMNPITYVNXBYSH-LBPRGKRZSA-N 410.268 1.693 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)Nc2cnn(CC#N)c2)cc1 1136435171 AGZGMBQYOOHXOP-SJLPKXTDSA-N 417.491 1.293 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nc(C)no3)cc2)cc1 1138081963 PQURKFUUAGXKRY-UHFFFAOYSA-N 410.455 1.887 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1F 1142237611 BVMBGMUQMNSAQD-UHFFFAOYSA-N 408.480 1.693 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1149462131 KXBZEXBCWKEDPW-UHFFFAOYSA-N 412.471 1.362 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1 1154577688 SPOVNBXYUNWRDG-FPLPWBNLSA-N 421.457 1.814 30 10 HDEE Cc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1NC(=O)c1ccncc1 1157885056 NZTMPMFBWWCDGS-HRAATJIYSA-N 424.482 1.653 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1159764343 USJKVKVCPZPMKT-AWEZNQCLSA-N 408.863 1.873 30 10 HDEE O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N(O)Cc1ccc(F)cc1 1161842421 DBHVBXYDOBQBOO-UHFFFAOYSA-N 410.423 1.683 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cnccn1 1163553931 VAYLDDOGGVBUPV-DZGCQCFKSA-N 401.492 1.807 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1Br 1189297901 FMNDCPGAAKBLHX-QEVYDEPDSA-N 416.272 1.734 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1214815621 XAYCBBYDXQKDKW-INIZCTEOSA-N 415.471 1.959 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccccc2Cl)CC1 1221739534 ROZSSNGVNRJCBZ-UHFFFAOYSA-N 412.943 1.412 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 1234065713 UKWRHYJADFKCMW-WMZOPIPTSA-N 404.492 1.142 30 10 HDEE C[C@]1(C[C@H]2CCCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)NC(=O)NC1=O 1253867730 PUDCOVZJNHBKSC-VGOFRKELSA-N 424.505 1.689 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1nc2n(c1=O)CCCC2 1265928318 XBNKXAJLLZBJQN-UHFFFAOYSA-N 407.224 1.629 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286385870 QKAAPDKITULIOM-PBHICJAKSA-N 418.567 1.817 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCOCC)CC1 1286473223 IYNWYANJAAXJFN-UHFFFAOYSA-N 407.316 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@]2(N(C)C)CCSC2)CC1 1286477232 SLIWQNZUPCKLIK-OAQYLSRUSA-N 411.579 1.533 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1286607382 GRBGFMHAYWEOTQ-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1286713994 JUXYMAYMMRZNBA-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)OC(C)(C)C1 1286779074 NFGNWFCUIJSZTI-UHFFFAOYSA-N 404.515 1.210 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286784705 QXDXVDOYDXKIMM-IBGZPJMESA-N 410.522 1.548 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286830384 LJUYYACNVKTGJY-AWEZNQCLSA-N 402.528 1.607 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(N)=O)c2)C1 1288974404 DQQXIAFZEMAJEV-JOCHJYFZSA-N 421.505 1.791 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@@H]1CCOC1 1293111399 SGOGNNWUKTUESG-GOSISDBHSA-N 411.510 1.629 30 10 HDEE CCc1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1293157467 ZXWKAWRCIPGDRD-NXDJFEHLSA-N 412.450 1.538 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1293503464 GFJKPYLIPRIVTD-OCCSQVGLSA-N 411.911 1.846 30 10 HDEE CCO[C@@]1(c2nnc(N(C)CCc3cnccn3)n2Cc2ccc(C#N)o2)CCOC1 1296562413 XAUBWXYSZOCKFY-NRFANRHFSA-N 423.477 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cnnn1 1300298240 BBEZLNJSCQEQSY-MRXNPFEDSA-N 402.466 1.666 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300363767 GCLKEMUNBGNDDU-YESZJQIVSA-N 419.551 1.041 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 1300401922 UWIDPTHYSMDRIJ-DOTOQJQBSA-N 402.451 1.720 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cnn(CC(C)C)c1C 1300664129 NBIUHRNIWUYHSM-UHFFFAOYSA-N 410.526 1.974 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCc3cccnc32)CC1 1300681660 XQHVMQAYTYDYDJ-IBGZPJMESA-N 421.549 1.687 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccoc2)CC1 1300716165 JUBAQISSGVLXMU-MRXNPFEDSA-N 415.494 1.609 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1300755050 KCIKVYDBXLOATE-MRXNPFEDSA-N 403.556 1.202 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1300777833 DWUGSQDRAJYXRQ-QAPCUYQASA-N 410.565 1.511 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1300778377 UEGFTGQTOSPBNG-UHFFFAOYSA-N 420.583 1.516 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)C1 1300889266 BMAGQQVVBWBZDA-RDTXWAMCSA-N 402.524 1.551 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1301258439 SIYYVNCHIAFFBL-CQSZACIVSA-N 407.496 1.324 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301501567 ZDLYQWTYASAREU-VFNWGFHPSA-N 415.469 1.321 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(OC)CCOC1 1302055239 VZTAKGCTXSLCBY-NSISKUIASA-N 407.515 1.938 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)c1 1309847166 RFQXVPGYEDXMIY-LFDOHDQPSA-N 422.503 1.382 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1316253159 PPJIWGMETJEQSI-QGZVFWFLSA-N 412.494 1.394 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCC1(O)CCOCC1 1316273821 RFPHJUKIZGGDBS-ULQDDVLXSA-N 407.515 1.672 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1316528324 CNRZYUGDNFRXGY-QGZVFWFLSA-N 421.358 1.937 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CCNC(=O)NC(C)C)CC1 1324407105 FRNCJZYLTRUKMD-RMMWZPCPSA-N 402.539 1.044 30 10 HDEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 1352672968 YIFUFENBLWJWER-YUSFRKCESA-N 402.428 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1358873008 BKPJKXDMFUKWMO-QRWLVFNGSA-N 414.514 1.221 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CCOC 1358984136 KFXHHCNNEWDEGU-NRFANRHFSA-N 410.478 1.176 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ncccc2N(C)C)CC1 1359037694 TXCSJANQSXHVDM-UHFFFAOYSA-N 416.533 1.528 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359083304 HBVZDEDOQPPSSH-CHWSQXEVSA-N 411.304 1.642 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1359291359 NFWKSGTUARRHTL-SJORKVTESA-N 400.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359297582 VHRXHYRVCBELAE-VFNWGFHPSA-N 415.469 1.771 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NC2CCCCC2)C1 1359318596 IILOTSMFUZJWQE-GOSISDBHSA-N 413.526 1.909 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)NC(C)(C)C 1359328803 OQVPMUNYTCEMQA-UHFFFAOYSA-N 423.539 1.798 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359336381 NYMFIQGIEQSFPB-CQSZACIVSA-N 408.572 1.783 30 10 HDEE CN(CC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)S(=O)(=O)c1cccnc1 1438753221 BJRBCSWXUGMGEA-INIZCTEOSA-N 412.393 1.994 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1441882605 HBEYHTSIPIKXPJ-OAHLLOKOSA-N 419.445 1.462 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 1452947777 NJXSMDNEENIDBW-QGZVFWFLSA-N 405.451 1.753 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC 1454707498 BGNLBFFCTNJFEF-GFCCVEGCSA-N 415.874 1.943 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1455496315 PRHJHRPCLYZTIU-HZPDHXFCSA-N 401.488 1.944 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccnc2OCC(F)F)c1 1462863636 YRSQAURNWDUYRN-UHFFFAOYSA-N 409.414 1.966 30 10 HDEE N#C[C@]12CN(C(=O)CCNC(=O)c3ccc4ccccc4c3)C[C@H]1CS(=O)(=O)C2 1463164579 TVODPFLJQCIFEZ-GHTZIAJQSA-N 411.483 1.356 30 10 HDEE C=CC[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1466783736 WOEQXKOYYASPHZ-GJZGRUSLSA-N 411.499 1.516 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 1471530034 ZMRSDGRRQQHNET-HSZRJFAPSA-N 409.486 1.752 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O 1473097686 LCLMIUHZGVQYAH-SNVBAGLBSA-N 414.281 1.602 30 10 HDEE C#CCNC(=O)CCN(CCOC)C1CCN(C(=O)OCc2ccccc2)CC1 1473614655 USMJSBKCRKRWHM-UHFFFAOYSA-N 401.507 1.876 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNC(=O)c2ccc(Br)cn2)CC1 1478959112 QEOGNTPPVSMETG-UHFFFAOYSA-N 409.284 1.134 30 10 HDEE CC(C)OCCOC[C@@H](O)CN(C)C(=O)NC1CCN(c2ccccc2C#N)CC1 1479071533 RYUROQKXIYINMG-FQEVSTJZSA-N 418.538 1.971 30 10 HDEE CCc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499067122 CHOUTZVGWPMCRA-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507635154 TVMYOOGYOSKUPZ-OAHLLOKOSA-N 420.539 1.291 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507652169 YPKLAVWQHREYHK-UHFFFAOYSA-N 409.465 1.363 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1507803647 HZDYKKBAOCKUKZ-FXAWDEMLSA-N 410.522 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCN(C)C(=O)C1 1508071143 BOCSGRXIBBHBQQ-UHFFFAOYSA-N 420.420 1.127 30 10 HDEE CCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1514817145 DSGICSWFYWSRHF-HUUCEWRRSA-N 406.487 1.725 30 10 HDEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1518870600 HAJIRLXPJRQBEA-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCn2ccnc21 1519329942 XILZTDWJQQQZDA-ZACQAIPSSA-N 415.498 1.505 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCNC(=O)C2CC2)C1 1521069013 ADINZWOBDMPMBS-HXUWFJFHSA-N 416.432 1.964 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1521103858 KCZRQIWKJCYJRT-LBPRGKRZSA-N 405.303 1.865 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCO1 1538879898 CTKWDAKISKPMDQ-KRWDZBQOSA-N 401.444 1.631 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539001938 MNVSUUYSPRROTB-CVEARBPZSA-N 418.509 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCC1 1539265947 LCGIMFAWHMNFMY-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sc(C)nc1C 1539295777 FYYIFIFLDZXQKQ-AWEZNQCLSA-N 420.564 1.473 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1539342919 BYYWZQJHEPCIFT-CQSZACIVSA-N 422.530 1.601 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1539344514 BJZXWAWGKCBERW-UXHICEINSA-N 407.584 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cnn(CC)c2)CC1 1539444436 OFHSITUOWJGXGP-UHFFFAOYSA-N 405.506 1.974 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(O)cc2)CC1 1539477163 JMTFCVPAYKPLIM-UHFFFAOYSA-N 419.489 1.398 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1539534407 QIFSOSPGUVDYEN-OYHNWAKOSA-N 421.505 1.832 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@@H]1OC 1539563812 QDSAMALRFNLRPB-LLGFUMIMSA-N 401.511 1.444 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539977087 JROJEDOASITGLO-UHFFFAOYSA-N 416.530 1.786 30 10 HDEE C#CCN(CC(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1)C(=O)OC(C)(C)C 1540559422 XOXYHMVWVNQKOL-KRWDZBQOSA-N 405.495 1.948 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)C)C1 1540892132 GDECMYWZXLTNDZ-CVEARBPZSA-N 413.544 1.048 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1541802142 LFJSMJBMYTXULZ-ZDUSSCGKSA-N 415.498 1.906 30 10 HDEE C[C@H](COCc1ccccc1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1541887211 FKDVSGULTRLECX-QXAKKESOSA-N 424.505 1.811 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)C1=O 1543185649 VGNBHYXKPCUDCG-UHFFFAOYSA-N 410.471 1.115 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1543288331 LRHRWQWNBNIMNC-AWEZNQCLSA-N 409.265 1.503 30 10 HDEE C=CC1(CC(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1545034665 ARDVMXKPLSKHKI-GOEBONIOSA-N 417.510 1.843 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1555691889 WOJZTPDVUQYMSB-LJQANCHMSA-N 422.493 1.740 30 10 HDEE Cn1cnc(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1557191481 OYQXXGWYKZWXJS-CHWWFWEZSA-N 402.499 1.651 30 10 HDEE N#Cc1cn(CCNC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)c(=O)nc1O 1557599826 DXYHECKHBNVARA-UHFFFAOYSA-N 415.413 1.044 30 10 HDEE COc1cccc(C(=O)CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 1558080670 QJYQVYSMTYDSKB-UHFFFAOYSA-N 401.444 1.418 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCSC[C@@H]1C#N)N2C(=O)OC(C)(C)C 1558959217 JLYYUVJFMRVNEW-YYFQZIEXSA-N 409.508 1.641 30 10 HDEE N#Cc1c(NC(=O)CCN2CCN(S(=O)(=O)C3CC3)CC2)sc2c1CCC2 1560007442 FPBAKDGSSDRZAH-UHFFFAOYSA-N 408.549 1.547 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 1563664582 PCOFXPCZNULITP-UHFFFAOYSA-N 422.526 1.432 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2OCC#N)cc1 1566390381 CSIUJJHJBKROOU-UHFFFAOYSA-N 420.422 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCc1ccco1 1587683488 KJSZSVYWRDMKNC-VKJFTORMSA-N 401.467 1.369 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587766987 CUVCGDNLTASFMG-UHFFFAOYSA-N 402.382 1.337 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1587861180 HTAIIPGLYGFRJE-LPHOPBHVSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1587999088 QAFUMHBBBQJTHR-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1588054441 NQGYYFNOFCAJCK-DLBZAZTESA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588064176 CDSKBYVAQGLGPY-FUHWJXTLSA-N 413.547 1.937 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(C)COC2)n1 1588723855 QGEBJCDKJFDMIC-UHFFFAOYSA-N 424.509 1.198 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1589669549 YXHWMFRLWDESNM-UHFFFAOYSA-N 419.551 1.606 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCN(C)C1 1595117122 ZHZJNQQABHDBDN-QFIPXVFZSA-N 405.506 1.994 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1598131996 JLLDBPOBXNPBTO-UHFFFAOYSA-N 417.512 1.772 30 10 HDEE COc1cnc([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1O 1603345403 FOTBPUXVNWGXID-GOEBONIOSA-N 407.430 1.779 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1613319895 IALSUBFYGRRXGM-HTAPYJJXSA-N 424.553 1.451 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)[C@@H]1C 1616747245 DTPGMCXVKRWDRG-TXDAXLQXSA-N 421.519 1.581 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC1CCOCC1 1616924272 OKWDGEQYJFNCOQ-SFHVURJKSA-N 418.542 1.577 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)C1=O 1616969513 ZWXSBYVDLPNRBI-UHFFFAOYSA-N 424.335 1.053 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1618534636 CDZGMBGIIHHZLB-AWEZNQCLSA-N 409.494 1.161 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CCO1 1620356103 SBWSGPRZMPZDJR-ROUUACIJSA-N 410.478 1.242 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1621936213 DDDQWSQUWGVXSL-OALUTQOASA-N 406.504 1.697 30 10 HDEE COC1([C@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1626780179 GMKQKUWAPWLDRU-AWEZNQCLSA-N 409.508 1.206 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)[C@@H]2CCC[C@H](C(F)(F)F)N2)CC1 1627015706 YZEFPIBMBFNYQC-JKSUJKDBSA-N 416.488 1.369 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)c(=O)nc1O 1627148982 DBCWLYXHOPLHSK-UHFFFAOYSA-N 416.800 1.887 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1628683698 WWXXDELLMIDFBL-UHFFFAOYSA-N 413.540 1.177 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1629734014 ZKJHZWUXUZIYSE-QGZVFWFLSA-N 421.519 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1631262715 XPYVUXYLXXHBSK-HZPDHXFCSA-N 408.499 1.470 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCC 1632066855 FHYISDRKTLEPSS-LBPRGKRZSA-N 400.840 1.022 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2cccn2C)ccc1F 1632620739 UCCCZUWLTGTCNG-KRWDZBQOSA-N 407.467 1.842 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1633273482 MENJGUYHIDXSMF-MRXNPFEDSA-N 415.556 1.566 30 10 HDEE Cc1cnc(C2(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCOCC2)[nH]1 1636056088 QTWKVZUQQVBMGE-AWEZNQCLSA-N 417.491 1.079 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1 1636397160 YYZGHZBGHOYFLN-UHFFFAOYSA-N 407.511 1.296 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CSc4ccccc4O3)CC2)c1C#N 1636455614 NOAGPCUHQCCIIK-OAHLLOKOSA-N 412.519 1.985 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 1636479741 FQYPOLPUEYQYHQ-UHFFFAOYSA-N 422.507 1.098 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1637389318 GABGLCIIIZFOQC-JBLFJGJOSA-N 422.522 1.967 30 10 HDEE C#CCC1(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCC1 1638340385 MVOAZEQTAFOJEX-OAHLLOKOSA-N 413.540 1.656 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](CO)Cc3cccnc3)CC2=O)cc1Cl 1640158898 IFSRSNAKHHDRCO-NVXWUHKLSA-N 412.877 1.927 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 1640219486 VFZZIYRYZIYXRK-FQEVSTJZSA-N 407.474 1.323 30 10 HDEE COc1c(Br)cccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636881 OOOWZZCSLZUHOT-UHFFFAOYSA-N 405.208 1.289 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](c4nc[nH]n4)C3)C2)C1 1643293003 QCTMEENIBCKIKN-OVCBBOEUSA-N 400.483 1.907 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)OCC 1643588687 FFJDEJZPPSTAER-KBPBESRZSA-N 403.907 1.728 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)[C@@H](C#N)CCc1ccccc1 1645565281 ZGFYUWSXDCMNQX-GCJKJVERSA-N 417.506 1.874 30 10 HDEE Cc1nc(Cn2nnc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)c2C)no1 1648931698 CBZALXPIUKBJML-UHFFFAOYSA-N 404.246 1.889 30 10 HDEE C[C@H]1COCCN1CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1649561260 ALNICHDNDNVNLE-FPOVZHCZSA-N 424.549 1.903 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 1653122886 DEBKJTMWNBPYFO-DLBZAZTESA-N 419.503 1.432 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@@H](O)c1ccc(Cl)cc1 1656066762 CIJNFSKGUWOOTF-DFBGVHRSSA-N 403.888 1.231 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1661950813 FAJYWNBMEDXHIU-OAHLLOKOSA-N 402.538 1.467 30 10 HDEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)N1CCN(CCC#N)CC1 1669336281 FLJCCKNNEPWOKW-UHFFFAOYSA-N 423.539 1.835 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C4CC4)oc3c2)CC1 1669676265 DONZVJABBBSMCF-UHFFFAOYSA-N 403.464 1.322 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(Br)c(C)c(C(=O)OCC)c2)C1 1672000184 DVMZAPSRFKGWDD-UHFFFAOYSA-N 402.266 1.303 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 1676930097 JEACNIZVSZOOPA-CQSZACIVSA-N 400.292 1.603 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1679681920 AMYNZCJDSASOOK-UHFFFAOYSA-N 403.439 1.850 30 10 HDEE C#C[C@@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)C1CCOCC1 1682047534 OWCKGPJGMYRUHA-GOSISDBHSA-N 422.526 1.231 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 1682226386 IMUKISRRCFJOCL-QGZVFWFLSA-N 419.441 1.603 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1682991980 LGFBKDQHDFIRCQ-ZWKOTPCHSA-N 400.479 1.961 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683479565 IFFLNUDWTUVHCQ-BZSNNMDCSA-N 408.543 1.914 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1 1683824825 BRSIGFVIUBZEJS-LJQANCHMSA-N 403.523 1.750 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1684552668 MRWXUSPXJGDMFQ-UHFFFAOYSA-N 409.494 1.928 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1 1685520773 HETMDSWJLPZHMN-UHFFFAOYSA-N 415.475 1.700 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1689863407 SXSIBZHOOHDJLV-ROUUACIJSA-N 408.506 1.907 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2cnn(CCOC)c2)CC1 1690131281 WZNCVYSKPXMXSN-UHFFFAOYSA-N 411.554 1.657 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690678173 NJAQAGGPRDDUQI-OVWQWFNUSA-N 407.515 1.166 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[S@](=O)C(C)(C)C)C1 1690697391 ULYGHARXQXDJDC-XAZSVGOPSA-N 409.556 1.558 30 10 HDEE C[C@H]1CSCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1692808158 YADAGNAFSUADMH-NWDGAFQWSA-N 410.525 1.343 30 10 HDEE CC[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694444753 RFSRCPBVKHVINS-ZBMSZTRUSA-N 422.493 1.888 30 10 HDEE COc1ccc(COCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1697464381 AELLFLPNUQYYBN-PKOBYXMFSA-N 413.478 1.736 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2)CCO1 1698492241 ABMWJYFPRGHMAE-IAGOWNOFSA-N 412.519 1.891 30 10 HDEE C#CCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1705363481 JBOSMUIJFNIUBS-QAHMESRPSA-N 412.530 1.678 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705516933 LMXWGSUBYKDBOP-ROUUACIJSA-N 421.567 1.590 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705523728 WXTIQLPYMCIZGM-KKSFZXQISA-N 410.478 1.723 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705530128 JHBIVLHNEZLVFA-UHFFFAOYSA-N 419.489 1.760 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705536684 LNZWODMMJXIPJB-IBGZPJMESA-N 415.563 1.995 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCOC1 1705631199 WLNJRRHPWUEZQG-OAQYLSRUSA-N 400.479 1.403 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CC(=O)NCC1CC1 1707908852 ACIARIURESHAPI-UHFFFAOYSA-N 413.913 1.964 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1711051415 GIULAIAHXGFUSM-NRFANRHFSA-N 412.494 1.319 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1711291805 DRZQUEWGWZKVAJ-UHFFFAOYSA-N 424.553 1.842 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CCCOCC1 1712913198 XFTPBYLJCATSBA-VXPUYCOJSA-N 423.477 1.017 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C/CC)CC1 1722448036 UPYCJJBICJOTPT-RTRPANQVSA-N 419.551 1.112 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(C)ccc21 1722690690 LSRNXMCYKKFNEZ-CQSZACIVSA-N 418.523 1.193 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722698365 FDPLBPMJXWEBLH-RTBURBONSA-N 422.489 1.534 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2n[nH]c(C)n2)C1 1722710662 MRSJEYBGJKSVBX-UZLBHIALSA-N 417.514 1.381 30 10 HDEE CC(C)=CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723044169 LJMIHMQAIOJFGG-DOTOQJQBSA-N 421.571 1.421 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1723691964 NBPTZLWGYPQKMV-GHTZIAJQSA-N 419.526 1.864 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1728259715 APGUVYBKJHSRMJ-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)cc1 1730063038 GKWZLAUNHINIQP-UHFFFAOYSA-N 404.496 1.243 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730894667 FKKYVIYAERQBRJ-QFPXGYFVSA-N 418.498 1.170 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1740608782 HZOLYIQVTCGKHA-UHFFFAOYSA-N 402.462 1.548 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1740671897 QXWRVLINNVFXBY-MAUKXSAKSA-N 416.503 1.685 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N(C)C 1740675988 ZWISGOPBMWJRQC-UHFFFAOYSA-N 409.487 1.347 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CC2(N3CCSCC3)CCCC2)CC1 1740697230 WKOQESCZBUIWDG-UHFFFAOYSA-N 402.612 1.957 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740698185 QFAHLNBYQOTNGU-OAQYLSRUSA-N 409.582 1.995 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740786619 JPVQZYLCRPLFSV-KRWDZBQOSA-N 401.515 1.186 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCO2)CC1 1740825234 KQZZHWYUYIHHCE-IRXDYDNUSA-N 423.539 1.113 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)CCOC1 1741725295 RZDYRPGZQOYUHU-NRFANRHFSA-N 420.558 1.637 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(C)COCCO2)CC1 1749005033 QZSBUVBDTNCBIY-IIBYNOLFSA-N 403.527 1.563 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1749038530 KSXUOCALVXPABI-QGZVFWFLSA-N 418.567 1.880 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1749147972 VOUGGAYCDOZPAH-LPHOPBHVSA-N 412.556 1.767 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1749158932 NDLGXUDVOIWHIQ-OAHLLOKOSA-N 409.556 1.628 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1749270056 ZWRUCOQHEXYNFC-CABCVRRESA-N 418.947 1.565 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cc(C)on1 1749666675 PNCBYCXQSIKMBQ-UHFFFAOYSA-N 413.438 1.241 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCO2)nnc1N1CCSCC1 1750419985 RSKIZIFKPMFNAA-XEVXXXDWSA-N 404.496 1.209 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1760141037 HTKMWDAYGVDWOV-UHFFFAOYSA-N 414.554 1.899 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@@](C)=O)CC1 1760199019 NDCOZAVRQMCZMR-GDLZYMKVSA-N 412.515 1.946 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1760206067 QDYJZDIAXQSPDY-IAGOWNOFSA-N 415.519 1.149 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1 1760217777 MCTUAUSTVCXHIH-HXUWFJFHSA-N 421.501 1.918 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN1CCOCC1(C)C 1760249171 IRMUIRANOGUKOL-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCSC2)CC1 1760252678 UFVMZWOVZOYJFB-INIZCTEOSA-N 411.535 1.434 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@]2(N(C)C)CCSC2)CC1 1760258359 UELLUVXIEBCDOG-OAQYLSRUSA-N 413.595 1.476 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760449646 PYOZAUQXTUUKOU-LSDHHAIUSA-N 406.487 1.099 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1760456552 RLWZXNKGZOGRHO-NSHDSACASA-N 413.573 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1760550547 AXLBQXHQOIUZOZ-OAHLLOKOSA-N 406.512 1.832 30 10 HDEE CC(C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760935407 WKUHLHDEFWUZIO-VLGSPTGOSA-N 423.468 1.315 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1761247136 DMJWZWPBMCXDIV-QFIPXVFZSA-N 421.505 1.448 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763812817 BDJJAEUILIFZAS-PFANNTFUSA-N 418.498 1.170 30 10 HDEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766751142 NGXCHMAYULRVSS-FYYPOJCNSA-N 406.556 1.117 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cn1 1767455331 JIWFNZIORLVCNZ-YLJYHZDGSA-N 416.505 1.357 30 10 HDEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)cn1 1767471645 HNLLFNYPRSPZMP-UHFFFAOYSA-N 407.478 1.719 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC[C@H]1C 1770632288 KLLZORVZPFNYRG-VQIMIIECSA-N 424.505 1.537 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)OC 1770778651 BHUNVTBTZSMGLI-AEFFLSMTSA-N 401.467 1.615 30 10 HDEE CC(=O)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1849426114 UIHKCCKDCADDGB-UXHICEINSA-N 414.531 1.642 30 10 HDEE C=CCN(C(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)ccc1=O)[C@@H]1CCN(C)C1=O 1849757320 HIONPGKHHLWYJA-DNVCBOLYSA-N 410.474 1.725 30 10 HDEE COc1ccc(-c2ccc(=O)n(CCCC(=O)NCC#CCN3CCCC3)n2)cc1 1850247496 WOGKSNBYTCHJOU-UHFFFAOYSA-N 408.502 1.915 30 10 HDEE O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCC#CCN1CCOCC1 1850691064 HZUSZMBMPCONJA-UHFFFAOYSA-N 414.893 1.406 30 10 HDEE C[C@@H]1CC(=NC(=O)c2nccnc2N2CCOCC2)NN1c1ccc(Cl)cn1 1851717369 FGTGMPQNBJMKLB-GFCCVEGCSA-N 401.858 1.704 30 10 HDEE Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3[nH]ncc3C#N)CC2)c(C)c1 1853031943 DVULYMYLXJLZIM-LJQANCHMSA-N 406.490 1.852 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@@H]1Cc2cccc(Br)c2O1 1853197053 RQAAJHXNXOMRIZ-NSHDSACASA-N 420.219 1.438 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC(n3ccc(=O)n(C)c3=O)CC2)n1 1853287753 ASOAVJRRWBWMQK-UHFFFAOYSA-N 421.379 1.618 30 10 HDEE Cc1nc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)co1 1853665717 ZYBHMPLJHAKGFS-HXUWFJFHSA-N 407.474 1.343 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3OC)C(=O)C2)C1 1853679116 DFTKJTSGZMZSDR-ROUUACIJSA-N 401.507 1.702 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)cc1C 1853845591 WLLZJNVSWGYFGV-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854131638 OMDFJHOMNQAFMQ-VQTJNVASSA-N 413.518 1.864 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccccc2F)C1=O 1854132016 WSIPQHSCQOECAB-RTBURBONSA-N 401.482 1.995 30 10 HDEE C[C@@H](CC(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1ccnc1 1854340684 CWFCSSQGISXUCI-YJBOKZPZSA-N 408.462 1.382 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccccc1Cl 1854624214 RBOOMHGVRYSQDX-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)CC1 1854813226 DAGPVRZYOZIHGH-SFHVURJKSA-N 405.520 1.720 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855065435 RBETYBYMCQPHAB-QZTJIDSGSA-N 423.579 1.464 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@H](F)C3CCCC3)C2)CC1 1855838251 KSDLUTNISFKNFN-OXQOHEQNSA-N 413.497 1.979 30 10 HDEE Cc1nnc(CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)n1C 1856059382 FYNVJRMFTYDZHN-QGZVFWFLSA-N 407.478 1.291 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)CC1=O 1856432306 LVIJKOZSSYREJV-KRWDZBQOSA-N 411.506 1.123 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856518797 OZTFPAGZADKIPN-RHSMWYFYSA-N 405.462 1.244 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(C#N)cc3)C(=O)O2)CC1 1856603309 NGCWDZIFMUXOGP-KRWDZBQOSA-N 405.476 1.971 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1856809470 XVKCSRLVTHOWEH-OCCSQVGLSA-N 414.867 1.222 30 10 HDEE CC(=O)CCCN1CC[C@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)C1 1856838886 VALAVAFRCQHKDO-NRFANRHFSA-N 410.518 1.605 30 10 HDEE CSc1ccc(CC(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)cc1 1857175819 PIJOJVQMSDERNN-SFHVURJKSA-N 400.548 2.000 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1857273173 OQOJDEYIQFGVMZ-SFHVURJKSA-N 403.504 1.604 30 10 HDEE COc1cc2cc(C#N)c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2cc1OC 1858202955 BZBQCVOSIOJSAZ-CYBMUJFWSA-N 421.500 1.519 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCC[C@@H](C(=O)O)C2)cc1 1860635000 NJOGJEUFSBBMFN-XLNAKTSKSA-N 416.474 1.839 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 1860731737 FAYOXAUXBTWNKO-BJMVGYQFSA-N 403.416 1.183 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)cc1 1862625195 AMCZLYKDSBABRY-LJQANCHMSA-N 424.409 1.835 30 10 HDEE COC(=O)CS(=O)(=O)N(C)[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2186591547 PSGRBBLPZLYCAP-NSHDSACASA-N 403.331 1.543 30 10 HDEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@H](C)S(C)(=O)=O 2186597250 LDTAALAVIXXGOD-RYUDHWBXSA-N 401.359 2.000 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@@H]2C1 2235556980 MMSMBCUXVHELKQ-OAGGEKHMSA-N 401.529 1.065 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2243370181 LKDYFPRXNBBWMF-CYBMUJFWSA-N 410.276 1.194 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243491782 FXXPXGTZQWYPSL-UHFFFAOYSA-N 406.292 1.373 30 10 HDEE CO[C@H]1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243675366 VTXKHVVAURHOLW-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE Cn1ncc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247779159 OMTKVCBNNUNKNP-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247845337 PDJNKLAAVQFMLQ-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE Cc1nn(C)c(C(=O)NCC(=O)NCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247915723 IQYUVFKSTZZVED-UHFFFAOYSA-N 412.299 1.074 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258134801 OQUSFQZBZJQUEE-IRXDYDNUSA-N 408.476 1.176 30 10 HDEE CO[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CSC 2267374794 XEENPMLXPIKVIX-GFCCVEGCSA-N 407.388 1.704 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267705439 YCQNCFOTLNYATA-BUBHHJDNSA-N 407.388 1.401 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2281821698 PESVNCISBQCRIT-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CCC[C@@H]3O)s2)OC1(C)C 2282343733 HLBBOFWSKQSNRN-STQMWFEESA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(F)C[C@H](CO)C2)OC1(C)C 2282492687 PZFUAXPQNUSBJI-SXUIPJSXSA-N 405.322 1.436 30 10 HDEE CCCC1(O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282844938 KVKDXAVVBXEPQU-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE CC[C@@H]1CCNC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882493 MNCGQWWDDZIKGR-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE CS[C@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409669 MCEHIQSFSLIDPS-SKDRFNHKSA-N 421.371 1.530 30 10 HDEE C[C@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415115 VVKQIFRCBAKXFG-WDEREUQCSA-N 401.315 1.674 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244934 CFVQOTQOLXYJKA-GXFFZTMASA-N 402.347 1.226 30 10 HDEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2cccnc2)cc1 2296945945 YMNWTBBVVPZAPX-IBGZPJMESA-N 412.442 1.911 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2362569173 ZMEBZINYFNSDDJ-NSHDSACASA-N 418.371 1.002 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2365209292 FQAYKJVXJCNLPY-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365210258 HXZBMOFEZBPPLG-YZVOILCLSA-N 402.557 1.537 30 10 HDEE CN(C)S(=O)(=O)CCCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2367631324 QNKIUOPJAGCBMX-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367798412 ZMWWTAMOKDHTMX-ARFHVFGLSA-N 401.525 1.590 30 10 HDEE O=C(N[C@@H]1CCS[C@@H]2CCC[C@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1 1540568 LVRLSYPNFFBYCZ-LVQVYYBASA-N 408.545 1.941 30 10 HDEE COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(S(=O)(=O)/N=C(/N)O)cc1 2205300 XRKAVBMOQZSOPH-OAHLLOKOSA-N 407.404 1.546 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(OC)c1 54994510 MKRBQQNPFAKWNN-PMACEKPBSA-N 418.534 1.734 30 10 HDEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)c1 59310796 KVBGYEZBBIFLDG-CNHKJKLMSA-N 413.467 1.673 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C(C)C)c3)n2)o1 59881824 YPJTXMHNCVCMDM-BLLMUTORSA-N 418.487 1.382 30 10 HDEE COC(=O)c1ccn(CSc2nncn2N=Cc2ccc(OC)cc2OC)n1 254301268 BPKZBPCMFVDIAU-UHFFFAOYSA-N 402.436 1.910 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 438905998 UVERWXWUAQIBEY-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE COC(=O)CC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CCS(=O)(=O)CC1 439085146 IWITXQLOXCXMQX-UHFFFAOYSA-N 420.896 1.000 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)C1 471148568 NSQMPEDXSVKOOV-VXKWHMMOSA-N 413.566 1.342 30 10 HDEE CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 482133714 DTVGMDGGVXDHAP-UHFFFAOYSA-N 400.460 1.499 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484358 GRGLBQCSIBIGKO-JLTOFOAXSA-N 408.506 1.940 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H]2c2noc(C(C)C)n2)C1=O 501829487 OMMHZAQJSAVTQZ-CYBMUJFWSA-N 403.439 1.614 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CC1 502047025 VGJWZVJYMQAXAK-UHFFFAOYSA-N 406.467 1.373 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(c2cccnn2)CC1 507259539 FVZZGHVHACEVMO-UHFFFAOYSA-N 411.510 1.564 30 10 HDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507275480 AZYMRXRYRYULIW-QFIPXVFZSA-N 422.570 1.991 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508830545 ZMKMOOACTQXTON-INIZCTEOSA-N 408.462 1.661 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508933209 XGSHMXCFLZWWAK-MRXNPFEDSA-N 401.492 1.786 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 516372423 GMYHNBSXQODINV-UHFFFAOYSA-N 410.543 1.204 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 520164042 WTHRYZUFQFEYPA-UHFFFAOYSA-N 408.480 1.677 30 10 HDEE N#Cc1cccc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 540534331 MAVARWLNYRMLGF-SFTDATJTSA-N 403.486 1.956 30 10 HDEE C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 546172412 QEYGCUQVFPNUTC-INIZCTEOSA-N 405.458 1.806 30 10 HDEE N#Cc1nccnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@@H]2CCCC[C@H]2O)n1 585608752 HPYFYEIZJRTPKE-CGTJXYLNSA-N 409.494 1.852 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CN3CCN(Cc4ccccc4)CC3)CC2)nc1 608968367 TVQWEWHDJAZEPG-UHFFFAOYSA-N 418.545 1.856 30 10 HDEE N#Cc1ccc(SCC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615486697 IKUWFGYSYXBGAB-UHFFFAOYSA-N 416.528 1.647 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(F)c1 703979153 LGJGBQWCCVTCCD-UHFFFAOYSA-N 415.446 1.564 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)CC1 732953182 AOGLVFOLOFJOSY-SILNSSARSA-N 422.485 1.497 30 10 HDEE N#Cc1ccc(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cn1 734601592 HYKDYANGBCLROJ-UHFFFAOYSA-N 417.443 1.210 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 734919410 LYWNGEICEQJUFH-MJEQTWJJSA-N 403.435 1.158 30 10 HDEE CCn1c(=O)c(C(=O)COC(=O)C2(C#N)CCC2)c(N)n(Cc2ccccc2)c1=O 736841908 OHSPBMKTGAVIOR-UHFFFAOYSA-N 410.430 1.080 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(C#N)cc1 740202146 CWXPGZAOONGGGM-KRWDZBQOSA-N 418.427 1.811 30 10 HDEE COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)cc1C#N 746876434 FDTWUGFLPVQEFN-UHFFFAOYSA-N 415.471 1.946 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1OC 751553561 DDNUFYWSRQYSDE-MRXNPFEDSA-N 411.483 1.441 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758327278 XGMMSRXQCVKENS-ZBFHGGJFSA-N 407.515 1.692 30 10 HDEE C=CCC[C@@H](O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 760813387 FFEZUEAFCOGQMM-MRXNPFEDSA-N 416.565 1.032 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(-c2cccs2)n1 769636906 NARWLQLXPTZBGN-OAHLLOKOSA-N 423.523 1.577 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(C)c(C(=O)OCC)s1)[C@H]1CCS(=O)(=O)C1 774251120 NDXYZGOYWWITIR-OLZOCXBDSA-N 413.521 1.521 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)cc1C#N 774842881 POJXKLTUZJZVPM-UHFFFAOYSA-N 414.506 1.334 30 10 HDEE Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 775028399 DDCIAEFTJKMIIH-JGWKNBOWSA-N 405.476 1.190 30 10 HDEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 779569423 CHWJXECOZDTWSJ-WUKNDPDISA-N 419.482 1.379 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 780919937 YLVSFEPJVMYKSQ-HXUWFJFHSA-N 412.877 1.710 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 783011177 LQBXKANJNYQLEC-UHFFFAOYSA-N 413.927 1.337 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCN1C1CC1 786973972 VGYLFEYBMVWSLN-IEBWSBKVSA-N 417.460 1.838 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 788694813 WTOIHYLOMDMZHL-UHFFFAOYSA-N 401.444 1.460 30 10 HDEE COc1nn(C)cc1NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 789053467 XRLYPUUQNYEKMW-QNGOZBTKSA-N 406.468 1.886 30 10 HDEE C#CCOCCC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789457026 QJYNDZVXBWABEP-MJGOQNOKSA-N 400.475 1.826 30 10 HDEE Cc1cncn1C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 793847120 BXIHSPLRUJMASM-UHFFFAOYSA-N 415.519 1.874 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)[C@@H]1c1cncn1C 796812255 MFGUWMXDWMMGBV-CZUORRHYSA-N 409.512 1.106 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)c1cccc(Br)c1 800706304 BCLCHNIZAGSVNI-BSZDNMLHSA-N 423.267 1.308 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCN(C(=O)COc2ccccc2)C1 800886502 QMGROTSIWDRSTI-HNNXBMFYSA-N 400.460 1.297 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cnn(C)n2)C1=O 807938287 BBKHJAKGGPBSNM-AWEZNQCLSA-N 421.552 1.076 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cn(C)nc2C)CCCN1C(=O)OC(C)(C)C 809031572 FEUKSSNTNDWYRR-GOSISDBHSA-N 412.512 1.879 30 10 HDEE C#CCN(c1nnc(COCc2ccccc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 809908065 WLRBTWJLDBUKOE-SFHVURJKSA-N 400.504 1.808 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F 810562129 WMNLNBFVMYUMMA-GFCCVEGCSA-N 421.397 1.960 30 10 HDEE Cn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)c(C(F)F)n1 812219272 TZGDYATXSRCPOU-LBPRGKRZSA-N 422.465 1.978 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCNC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 813241143 YKIWWUCQMDKJGI-MAUKXSAKSA-N 418.519 1.499 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)cc1 816804957 KKKFZDKOYHYEHQ-MRXNPFEDSA-N 412.533 1.028 30 10 HDEE CCCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916876602 CEOPVTMOEXNJQV-JKSUJKDBSA-N 424.523 1.707 30 10 HDEE C#CCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)[C@H]1CCS(=O)(=O)C1 918754938 LBFTYSDEMCZXKG-HNNXBMFYSA-N 421.496 1.516 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 919010186 VNCXZDNQJQBJKC-ZWKOTPCHSA-N 401.463 1.922 30 10 HDEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)Cc2ccc(C#N)nc2)cc1 1128619842 JNQDFYGOWIMJME-UHFFFAOYSA-N 402.476 1.426 30 10 HDEE C#CC[C@]1(C(=O)Nc2ncn(CC(=O)OCC)n2)CCCN1C(=O)OC(C)(C)C 1129976283 WEXQZCXBFHCGJY-LJQANCHMSA-N 405.455 1.573 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1[N+](=O)[O-] 1138309189 MYRVCBIHBVOJCA-NRFANRHFSA-N 408.414 1.901 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CCSC)c2nn[nH]n2)ccc1F 1148260075 BJHXJQJPKDCVPA-LBPRGKRZSA-N 414.488 1.027 30 10 HDEE C#CCN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366867 IFENHTAKOSOTMH-IBGZPJMESA-N 413.540 1.320 30 10 HDEE O=C(NCC#CCO)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1155733542 VRRMRFKWISXIMG-UHFFFAOYSA-N 400.294 1.648 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1158986136 FKNSXXLJAAKPQA-AEFFLSMTSA-N 410.561 1.775 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(N)=O)[C@@H](C)c2ccccc2)s1 1160008067 BZDNOQVKYOVNAB-UGSOOPFHSA-N 421.544 1.529 30 10 HDEE Cc1cccc2nc(CCNC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)cn12 1164337426 BWWHGGVLIFYTCS-OAHLLOKOSA-N 411.487 1.540 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCO[C@@H](Cn3ccnn3)C2)cc1Br 1167396261 BHSCPZOZPJUDNF-CQSZACIVSA-N 406.240 1.219 30 10 HDEE COc1nsc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1Br 1167496513 QQAWSMOAQWKWOB-UHFFFAOYSA-N 409.265 1.832 30 10 HDEE C#CC1(O)CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)C1 1176792747 JHZDSUDPPREWDB-UHFFFAOYSA-N 405.520 1.258 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCN(C)CC1 1178740014 VZPPJXAQMNYDRQ-UHFFFAOYSA-N 418.346 1.828 30 10 HDEE CC(C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)Oc1cc(F)cc(F)c1 1228147208 HNLJOTQXAPCXDP-SGTLLEGYSA-N 413.446 1.702 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1229531805 NTIISBGMVKKPAJ-JJXSEGSLSA-N 406.483 1.622 30 10 HDEE CCCN1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1253528755 CFAXLJNCMCIHLV-QGZVFWFLSA-N 405.524 1.058 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 1254546281 QKRDOYZSJKRXJU-XYJFISCASA-N 408.520 1.902 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1286270736 NEDZOLLXODXIIK-BCOMRZATSA-N 413.547 1.899 30 10 HDEE C#CCCCn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286341093 BNMDQXQEMCHKHH-OAGGEKHMSA-N 423.539 1.126 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1286381509 MXJRFXHOJULIOW-ROUUACIJSA-N 404.559 1.098 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)=O)C1 1286432722 VKWRXFMALHGACF-NRFANRHFSA-N 421.549 1.861 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286593872 VFSHBAMJICJXSQ-CVEARBPZSA-N 402.499 1.515 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(C)(=O)=O)c1 1289331391 AXIGZUDCVBXWFK-LJQANCHMSA-N 421.498 1.961 30 10 HDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)n1 1289984112 ZDYDIEDDIYYOGZ-IBGZPJMESA-N 424.553 1.403 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 1290451519 CKBVXDHATQMOEX-UHFFFAOYSA-N 407.467 1.598 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1F)c1cc[nH]n1 1293311686 STSMMOBCNFQUHV-NSHDSACASA-N 422.413 1.727 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1295880444 BSSMLHWMHBMETL-MRXNPFEDSA-N 407.496 1.904 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1297372767 DCYUHQYKSYIENE-KRWDZBQOSA-N 410.559 1.859 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 1298366319 IBUXWHYZFPPNEZ-JWOSDPRPSA-N 424.526 1.472 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1298732575 APMXFEJPAQYTAA-UHFFFAOYSA-N 421.509 1.267 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H](C)CN1CCOCC1 1300474997 AWOGPCMUQGWRAR-GOSISDBHSA-N 413.522 1.903 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300497373 AWRIKAROQBZNRL-YLJYHZDGSA-N 417.535 1.052 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1300503627 FJDWQRSIIYBPAM-MRXNPFEDSA-N 407.471 1.024 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1300606767 TXDXJPUHRBVWOK-UHFFFAOYSA-N 417.535 1.691 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1cn(C2COC2)nn1 1300673759 YJLGAQYPOOSUAN-UHFFFAOYSA-N 421.505 1.474 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1300763452 PQMRNNMXSBOPSA-JKSUJKDBSA-N 412.581 1.408 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301462796 DQUUMWUXBANIRA-MRXNPFEDSA-N 402.524 1.647 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1302095939 GHOMOEZCAIQLHQ-MSOLQXFVSA-N 420.558 1.995 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1302468993 GSJAHJUNVWUQEH-KRWDZBQOSA-N 422.493 1.018 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)cc1 1302995418 YJDITWVVZLSWNV-FQEVSTJZSA-N 419.489 1.719 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCC2 1303551061 JVRKIODSNISSGJ-MRXNPFEDSA-N 415.519 1.743 30 10 HDEE C=CC1(CC(=O)N[C@](C)(Cn2cccn2)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1304803285 RGAWPWHGXCRDTH-LJQANCHMSA-N 406.483 1.744 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(=O)OC(C)(C)C)CC3CC3)CC2)o1 1307901139 XVGUBQJKUUNIFU-UHFFFAOYSA-N 417.510 1.557 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 1312468509 BRPDKTHDNGQGCP-UHFFFAOYSA-N 400.416 1.966 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1312626115 LOYDSOFMAOCIJQ-LSDHHAIUSA-N 420.395 1.995 30 10 HDEE CCOCCN(CC)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314472393 NLVACFQBNYKXOF-WUKNDPDISA-N 404.515 1.965 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C 1314707748 YIINXCGIRLNEQX-UHFFFAOYSA-N 407.482 1.344 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1315058293 XUVJVXYJZSFMLE-UHFFFAOYSA-N 423.452 1.982 30 10 HDEE CN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccc(F)cc1 1320176730 LLUICGQOVSWEKA-QFBILLFUSA-N 416.478 1.426 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cnn(CCC#N)c1C 1350478176 OZDVMYXAJNKEEJ-UHFFFAOYSA-N 417.491 1.687 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)ccc1OC 1353364132 KCFMFCDTJSDRFF-HZPDHXFCSA-N 417.462 1.404 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)nn1 1355073089 ZMXYFNRZMLXJRX-UHFFFAOYSA-N 417.535 1.953 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC(=O)N(C)C)c1 1358901308 GQPBYOWLAMGHAA-UHFFFAOYSA-N 417.473 1.485 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2C)CC1 1359029466 YTMPXHFICBEDID-IXDOHACOSA-N 408.572 1.080 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1359271478 VPCYXDJMVVUFKN-IBGZPJMESA-N 402.543 1.862 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC[C@H](CO)O1 1359279836 UUEBIZGJRSAMNH-DLBZAZTESA-N 416.478 1.853 30 10 HDEE CN(C)C(=O)Cn1ccc(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)n1 1360021048 VMASWYPOEJHSFZ-AWEZNQCLSA-N 406.487 1.887 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1360591377 CAOOYQMKIJQIEE-OXJNMPFZSA-N 403.506 1.688 30 10 HDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@](C)(C#N)CN(C)C)C2=O 1436171846 AEBKQLRXQRWVKH-VZDHWGDASA-N 405.543 1.863 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1440616347 WFPCCUGOVWQCTM-AWEZNQCLSA-N 413.396 1.706 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 1451878861 LGXRMOKYOKCTPW-OAHLLOKOSA-N 404.268 1.896 30 10 HDEE C#CCOc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1452206783 VHBLVADFIRGVBE-UHFFFAOYSA-N 417.443 1.657 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1452477736 RSNXXVUPOZLPSJ-AEFFLSMTSA-N 405.520 1.088 30 10 HDEE Cc1nc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n[nH]1 1452716920 GIMPMFZNXIGCTM-CQSZACIVSA-N 413.869 1.340 30 10 HDEE C#CC[C@]1(C(=O)NCCCn2ccc(O)nc2=O)CCCN1C(=O)OC(C)(C)C 1456910225 IBDPJPSFSPFCAA-HXUWFJFHSA-N 404.467 1.248 30 10 HDEE Cc1nc(=NC(=O)c2n[nH]cc2I)n(-c2ccc(C#N)cc2)[nH]1 1457649083 IJYRMXIDHPXVTM-UHFFFAOYSA-N 419.186 1.449 30 10 HDEE C=CCn1c(C)nnc1SCC(=O)NS(=O)(=O)c1ccc(CNC(C)=O)cc1 1458824600 UZSKTJOURYDVGL-UHFFFAOYSA-N 423.520 1.006 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](CC(N)=O)c2ccccc2)s1 1467744328 BGNXYKHLOOGPNL-MRXNPFEDSA-N 421.544 1.830 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(S(=O)(=O)NC)CC3)n[nH]2)c1C 1468500872 XUVQMQYPMFRGFF-UHFFFAOYSA-N 406.512 1.230 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)C(=O)OC 1468876074 UPDPJTLXCRJQJF-MRXNPFEDSA-N 402.834 1.875 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)CN3CCCCC3)C2)C1 1469181527 DRHVJXUDXKAIIN-IOANDJKRSA-N 420.554 1.736 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)nn1 1469216303 RSLBPWJOBQMXNX-YXCITZCRSA-N 411.384 1.066 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C 1471130573 QBGCQKHVATUAFY-SCLBCKFNSA-N 412.471 1.168 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)CC1 1476896788 WVOWHVXCKBCCDL-OAHLLOKOSA-N 414.434 1.090 30 10 HDEE C=CC[C@@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccncc1 1477934304 VATVVRCQYWXRSO-QZTJIDSGSA-N 409.556 1.953 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](O)COc1ccc(C(F)(F)F)cc1 1478282559 HEHJHTCSWQSLRG-ZDUSSCGKSA-N 410.414 1.345 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCC[C@H]2c2ccccc2)CC1 1478639707 HBLFZRHMLQNZQZ-UXHICEINSA-N 418.563 1.755 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1F 1478822899 JCMJABNJWYYFLC-UHFFFAOYSA-N 416.478 1.932 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2nc(C3CCOCC3)n[nH]2)CC1 1479095281 FCGXJOXSYSSDCF-UHFFFAOYSA-N 401.496 1.664 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COc1cccc(OC)c1 1490722745 IMUHOFMOESTPKT-NSYSGPAISA-N 400.475 1.913 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)cs1 1492675119 NIOFJYYATTXWTA-QGZVFWFLSA-N 401.475 1.758 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503666239 YNKGJLWGXAHQRI-ICFOKQHNSA-N 417.420 1.655 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1505315458 MBCPZGUWNJNSJT-YTQUADARSA-N 424.505 1.448 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@H]1C 1507602507 BEIMSZGYBHUGFM-SJCJKPOMSA-N 408.300 1.655 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1507635749 ZHEUSNMXHKEZDH-GOSISDBHSA-N 402.520 1.662 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1 1507797266 COYCSWVKLIXBFF-SJLPKXTDSA-N 413.526 1.726 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)CC1 1507808750 VDZPEOBTFBMGRF-JZXOWHBKSA-N 407.515 1.310 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC2(CC1)CNC(=O)C2 1507809256 IXYAEXSNYMUDIM-LPHOPBHVSA-N 403.527 1.902 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1507901522 LMIRFDWAQOVRQA-UHFFFAOYSA-N 419.551 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1508076081 CXQYFNZWACRALF-CYBMUJFWSA-N 409.512 1.408 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(CC)C1 1508089528 XVVOJEXTVRRHOU-HXUWFJFHSA-N 400.483 1.934 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCOC2)C1 1508116303 ISMHAXFNHGOCIL-NQIIRXRSSA-N 400.479 1.886 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCO1 1509852412 XFDXCGHYRCFONG-SFHVURJKSA-N 411.466 1.822 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCCOC 1516609528 KCRJVHGOFIAZBC-MRXNPFEDSA-N 402.455 1.012 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(O)cc1 1519329459 WAYMVZZGOFWYPV-MAUKXSAKSA-N 401.467 1.679 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1nccs1 1524725552 SGJGSPKVQYDDDT-UHFFFAOYSA-N 407.521 1.252 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)nn1 1531826053 WDMUXPKFYFDIPY-UHFFFAOYSA-N 411.462 1.927 30 10 HDEE COc1ccc(CNC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)cc1C#N 1536788089 PVQIVCUJNJOMDG-MRXNPFEDSA-N 401.463 1.763 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1)C(C)(C)C 1538269692 BXCHZYNDFKLVDY-UHFFFAOYSA-N 410.536 1.844 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-n3nnc4ccccc43)cc2)C1=O 1538379228 XXQXKYZZRWSUDJ-UHFFFAOYSA-N 404.386 1.336 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)[C@@H](C)COC 1538864760 SUPIYXGAYVRTMX-BTYIYWSLSA-N 403.479 1.820 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539206201 NJEVZIZHGSSETR-CQSZACIVSA-N 407.462 1.097 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cnn(C)c1 1539258115 ZPEXFOKKJOFITG-GOSISDBHSA-N 402.506 1.759 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2nncn2C)n1 1539424144 MCVHKPOPTATPSF-UHFFFAOYSA-N 409.498 1.205 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)C2CC2)CC1 1539436047 HLOWSMNWOTYCQR-HXUWFJFHSA-N 400.914 1.910 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539752795 ZXGPVEDISCTCGW-SFHVURJKSA-N 411.510 1.413 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539918330 LEPHMURRLMNBOQ-CABCVRRESA-N 424.571 1.350 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCOC1 1540201284 ROCUZLFIODJPJZ-HXUWFJFHSA-N 408.449 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540865082 UVZSVMPLNKAREM-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N1CCOCC1 1540906990 IPFFTDVQOAKDGK-UHFFFAOYSA-N 420.535 1.911 30 10 HDEE C=CCN(C(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1542217284 WKWIUOWHJQEWQB-CQSZACIVSA-N 410.496 1.317 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1543308537 FAGWPVPCHNEBNP-VLIAUNLRSA-N 400.458 1.464 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCCNc2ccc(C#N)cn2)CC1 1543449356 BWKQJYUFBOIYHL-UHFFFAOYSA-N 403.483 1.633 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)c1ccc(F)cc1 1557025766 WLCPNAOFCUIUDA-HNNXBMFYSA-N 419.478 1.537 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1560098623 MLVVISDPORTQEP-XMMPIXPASA-N 418.497 1.678 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)cc1 1561133679 PWVPZJZANQYRRY-UHFFFAOYSA-N 402.472 1.622 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C[C@H]1CS(=O)(=O)C2 1585131994 HOWWHWVKRZVNEO-UGSOOPFHSA-N 405.476 1.888 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1585381910 ZYBPJCCBFMEISR-OAHLLOKOSA-N 408.449 1.335 30 10 HDEE Cc1ccc(C(=O)N[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)C)cc1 1585660139 FWQLHEKFQNWVFZ-ABSDTBQOSA-N 403.504 1.146 30 10 HDEE CN(C)CC#CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1587078819 JTDYCZZSSAUJIK-UHFFFAOYSA-N 415.471 1.511 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1587646190 UXHHPPCTUNHNNS-CYBMUJFWSA-N 413.432 1.816 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1587673815 SHZJAELTAVUDDG-CABCVRRESA-N 406.483 1.889 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)cc1 1587713685 KSJQLWIQXDZSOK-QHCPKHFHSA-N 421.453 1.791 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587773541 NAFWWBWCCUYWRP-KRWDZBQOSA-N 416.551 1.538 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1587808557 UCEZLAGYIOYJLG-APWZRJJASA-N 410.540 1.431 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1nnc2n1CCC2 1588162429 RZZYGUVBUKSUMW-UHFFFAOYSA-N 401.474 1.824 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCCn1cnnn1 1588238460 WONMKSHOQXHGRD-UHFFFAOYSA-N 404.478 1.417 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1588266610 SPKQNFYDPKYYKR-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(C)(C)O 1588637965 LOZBRPNWUUNLRR-UHFFFAOYSA-N 410.478 1.841 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1588800393 DOVJOHCRQXKOPG-NRFANRHFSA-N 423.565 1.452 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1588800475 ICQWSAAGJGHADF-UHFFFAOYSA-N 423.565 1.331 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)C(C)C)CC1 1588876690 FPOJIKUFPGFJOS-FHWLQOOXSA-N 405.543 1.428 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1588929569 CYAAKNIBHGNJPT-AQOAWAETSA-N 415.538 1.299 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1589530871 YWGJRBJUKUZQHH-KSZLIROESA-N 418.542 1.615 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593932001 BYELQIMMZBNDQB-BEFAXECRSA-N 424.933 1.627 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1594824461 IBDKEFUENZPPNN-SFHVURJKSA-N 403.527 1.651 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595421297 AGKUUGSNHZBWGX-MRXNPFEDSA-N 415.523 1.586 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(C)=O)CC1 1595569146 AQSSMLDRYCJYSB-UHFFFAOYSA-N 421.505 1.252 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC2)C1 1595755367 WXWUPIWGHPWGDO-OTWHNJEPSA-N 405.543 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CC1 1595776633 CFPVTTYLPMGKPQ-UHFFFAOYSA-N 414.495 1.120 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@H](C(C)C)C1 1595798591 QXSFVAYKJAPGGS-CVEARBPZSA-N 414.597 1.961 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc(O)nc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1596142289 UBMXBUSUZDTHIJ-UHFFFAOYSA-N 418.494 1.990 30 10 HDEE C=CCCC[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1596244881 RKYOPMWJEOCALF-LSDHHAIUSA-N 411.499 1.516 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039382 LMLLUKNZXDNAQF-KRWDZBQOSA-N 408.543 1.422 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1611251792 FMASAIMGBBMJTM-UXHICEINSA-N 414.506 1.716 30 10 HDEE CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1616790913 KDKVOGSDHSSOPE-UHFFFAOYSA-N 422.511 1.093 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccco1 1619911763 FWJWVKIUOPLZBA-LIRRHRJNSA-N 402.455 1.096 30 10 HDEE N#Cc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCS(=O)(=O)CC2)o1 1620350616 JCDOTJGCLUQIHH-UHFFFAOYSA-N 411.487 1.811 30 10 HDEE C[C@H](C(=O)Nc1ccccc1-n1ncc(C#N)c1N)N1C(=O)c2ccccc2C1=O 1623696981 IFDODOKGQXCLIJ-GFCCVEGCSA-N 400.398 1.949 30 10 HDEE COC(=O)N[C@H]1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1625869336 BVAXEXANFIKYDS-AWEZNQCLSA-N 413.434 1.980 30 10 HDEE C#CCN(CC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1)C(=O)OC(C)(C)C 1627404662 RLBDWVFSYDLXKD-UHFFFAOYSA-N 420.554 1.259 30 10 HDEE N#CC1(NC(=O)[C@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1629113754 NNQAHBHDRVEFIG-IBGZPJMESA-N 418.453 1.941 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC(C)(C)C 1630305759 WCHGKPYIQPROMS-UHFFFAOYSA-N 401.463 1.968 30 10 HDEE Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n(Cc2ccccn2)n1 1630505680 HBAWOUORDVKADF-UHFFFAOYSA-N 410.459 1.424 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1633559053 FJTVCGKAQHQOCD-QGZVFWFLSA-N 400.475 1.082 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)C1 1633828749 SFTUEPJOPCUHLZ-LJQANCHMSA-N 424.498 1.429 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2csc(-c3ccn(C)n3)n2)c1 1634719253 LICFMQDRNCAVGL-UHFFFAOYSA-N 415.500 1.385 30 10 HDEE COc1cc(OC)cc(N2C[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)c1 1635200718 LVHVVPLSNWNWTN-HNNXBMFYSA-N 413.430 1.492 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1635737065 DPJPTEFQTARZIS-PGRDOPGGSA-N 410.474 1.620 30 10 HDEE CC(C)(C)OCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1636724364 ARTNRCSZTSRMBR-UHFFFAOYSA-N 408.524 1.779 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1637759030 YJPRJAAZXYQKDR-HOTGVXAUSA-N 414.911 1.506 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1638851575 XYQHPOYZKMJQOW-OAHLLOKOSA-N 415.515 1.968 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)OCC 1643588691 FFJDEJZPPSTAER-ZIAGYGMSSA-N 403.907 1.728 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 1643887839 DXLLUPBLCFRUJD-LPHOPBHVSA-N 411.487 1.325 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](O)C[C@@]2(C)CO)n(-c2ccc(F)cc2)c1C 1643891685 DZOLBXYEQBQMPC-UWJYYQICSA-N 400.454 1.861 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1644944325 QUDWRTVNHKGWSX-HZPDHXFCSA-N 402.499 1.495 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1645737859 NTLISIIUHJXLEE-INIZCTEOSA-N 421.494 1.366 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)nc1 1646096453 URYZEQDLSPDYHE-HNNXBMFYSA-N 419.532 1.786 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCc2n[nH]cc2C1 1647897265 OASMWMNBWXDGHG-KRWDZBQOSA-N 415.519 1.982 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1659299904 FABYTKBUAUPCOD-UHFFFAOYSA-N 404.536 1.883 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)Cc2c(Br)cccc2OC)C1 1665457513 UKTLCYZXJOKEDN-CYBMUJFWSA-N 401.326 1.975 30 10 HDEE C#CCN1CCC[C@H](NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C1 1665644988 ICWAJWHFQIDLCM-FQEVSTJZSA-N 418.563 1.485 30 10 HDEE C#CCOCCN(C)S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1672268033 HBGQOIKYYCELKB-MOPGFXCFSA-N 408.520 1.993 30 10 HDEE C=CCN(C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1)[C@H]1CCS(=O)(=O)C1 1674109904 HBWMYQZWRIKGGC-HRCADAONSA-N 407.496 1.051 30 10 HDEE O=C1NCCN1CCNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1676114500 ZOKZPUBEHDVKDA-YUMQZZPRSA-N 424.292 1.824 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1682600999 CMLSSTHCMVXYQH-UHFFFAOYSA-N 415.537 1.763 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCCNS(=O)(=O)c3cccs3)CCO2)cc1 1685797495 MPZUNTPOKSEQQJ-MRXNPFEDSA-N 420.516 1.681 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1686177431 DTBASASMODGIFN-OFQRWUPVSA-N 401.410 1.912 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCC1 1690015710 VUBUNCWBVOSNJO-UHFFFAOYSA-N 401.474 1.763 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1690057565 CPRHTSLPMHUSBX-UHFFFAOYSA-N 416.913 1.799 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OCC)CCCC2)CC1 1690109108 HBBDHUFAGLYXDH-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1690228029 LTCRTBVDLZOFJH-OAHLLOKOSA-N 414.348 1.849 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 1690394703 IQFDCASTKNSQFN-SFHVURJKSA-N 404.559 1.666 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1690526698 BYSXDHYYQPLNLP-VEGGFIAOSA-N 417.535 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1690667645 BUEPNCUGXCJEML-UHFFFAOYSA-N 406.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2O[C@H](C)C1 1690674913 JYHHVUKJTWRWNI-MRXNPFEDSA-N 424.505 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCCO1 1690714689 RQFQYMMNSVPNNQ-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(N)=O)CC1 1690742378 OPGXDJXOZMDMAU-UHFFFAOYSA-N 418.523 1.627 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1690752889 UEOOTPYGCHMSSK-IRXDYDNUSA-N 409.556 1.590 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1691483679 FULHETTWOJWXBX-CABCVRRESA-N 410.544 1.081 30 10 HDEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)n1 1693326402 DHLBWKNMWXHLSH-UHFFFAOYSA-N 423.502 1.868 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1696437281 BBYCJZWSHLYKFX-QGZVFWFLSA-N 412.494 1.728 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492847 GISVTSRYFVAFCK-AEFFLSMTSA-N 412.469 1.758 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705522921 HRTPRHMFDCFLCJ-QGZVFWFLSA-N 420.477 1.441 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1705548846 WMLGQXHMZMLXIA-UHFFFAOYSA-N 410.503 1.598 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(N2CCOCC2)CC1 1705586950 CKEZNVSSOCSKGU-UHFFFAOYSA-N 423.492 1.934 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705658544 SQNJKOZWJUAMOJ-UHFFFAOYSA-N 420.564 1.505 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1710482139 AVVWNMGEJBTYNM-NQIIRXRSSA-N 418.542 1.535 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1722282062 BSZNEJPJYAQMCV-OAHLLOKOSA-N 406.494 1.812 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1722302983 MOHVWWOLSKTBDJ-HNNXBMFYSA-N 421.523 1.215 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1722305937 MPOUAWVUMBROGG-PMPSAXMXSA-N 410.540 1.427 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722331886 XUSMPNQMDBEPQS-UHFFFAOYSA-N 410.522 1.772 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722366713 JXPJJKGWAYSCEI-KRWDZBQOSA-N 404.540 1.308 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722455860 QZPQGXNGEVLADS-UHFFFAOYSA-N 422.580 1.548 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722506738 VZJBJWOKKWQLLR-MJGOQNOKSA-N 423.583 1.684 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722523126 BNUQNLFQGPCQIW-QGZVFWFLSA-N 421.567 1.595 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3ncccc3F)CC2)nnc1C(C)(C)C 1722704122 OFYFRFVROLBYAX-UHFFFAOYSA-N 401.490 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722709254 LQWHIKKEWCWMIW-ZDBRSUKYSA-N 414.510 1.883 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1726666120 FQGLXNQUTMXBNE-GJZGRUSLSA-N 418.523 1.322 30 10 HDEE CS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1731010896 ZVMVCCSFAOLAHE-KRWDZBQOSA-N 413.425 1.634 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1740622926 LBHXIQPAXDQMQZ-PVPMGCCUSA-N 410.565 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(C)CN(C)C1=O 1740637236 VILLJSCLDVISFL-QHCPKHFHSA-N 413.485 1.682 30 10 HDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1Cc1cn(C2COC2)nn1 1740643048 DIDMISQQJDALPO-UHFFFAOYSA-N 415.501 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCC(=O)NC2CC2)CC1 1740702596 TUJBRIBIFZJHAW-UHFFFAOYSA-N 400.527 1.426 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740719295 JJSLOWWJMMONQW-UHFFFAOYSA-N 401.540 1.722 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1740794294 WAUANWBIPGUGSX-UHFFFAOYSA-N 420.535 1.705 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740799552 OWIYUQTXFBUWGZ-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC)CC1 1740835011 GWHBDEUHENTWGF-UHFFFAOYSA-N 420.495 1.805 30 10 HDEE C=CCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740949575 LNBRKPVFJQUNHO-MAUKXSAKSA-N 413.544 1.023 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740954023 ZIHZEELFZHLCGS-HNNXBMFYSA-N 415.885 1.115 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740954126 CMBSCMLJGGIMDR-OAQYLSRUSA-N 415.494 1.923 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1741994170 NIPIKWORKMTGLA-MRXNPFEDSA-N 412.519 1.300 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1742388359 FZURIHJCBTXTBL-FQEVSTJZSA-N 410.457 1.870 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1744713329 UFAHBYLECIJHLA-HXUWFJFHSA-N 410.522 1.826 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1747617581 HRRSJGFQCJGQCR-KRWDZBQOSA-N 415.519 1.745 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1748319476 NCMMGYZATDUUKV-SJORKVTESA-N 422.489 1.731 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O 1748902335 MGKVBSDZIGZVIH-IAGOWNOFSA-N 421.567 1.209 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1749187465 MCAFIMOQBVFFBN-SFHVURJKSA-N 402.543 1.887 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1749392032 YDJGNHSNAOCZDW-CYBMUJFWSA-N 408.532 1.165 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1749499340 VBTJWVSFEMFIOF-HNNXBMFYSA-N 412.485 1.379 30 10 HDEE C=CCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749643367 PEWJWWUXUAIZTJ-NRFANRHFSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(CCC)CC1 1749677021 KZICTIDOGUQAFF-UHFFFAOYSA-N 417.558 1.013 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1749830810 QYJBKOUUUKVZIG-LQWHRVPQSA-N 419.526 1.877 30 10 HDEE COCCOCCCn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750090779 VOTVMKRICWULEL-UHFFFAOYSA-N 402.474 1.977 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)CC1 1750388447 FKDCIHDJLHWOIM-KRWDZBQOSA-N 413.526 1.666 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)CC1 1750389944 RTKRHPWLYODDAW-OAHLLOKOSA-N 408.453 1.955 30 10 HDEE C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1751148382 CCRRBXYEVRARLC-UGSOOPFHSA-N 405.503 1.662 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCOC 1760112442 HAZYUIIWKQDCIG-QGZVFWFLSA-N 413.526 1.573 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1760183283 PXZOQNDXIQFXCF-SJORKVTESA-N 416.551 1.487 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1760233306 KJWRLVKEXQBLHC-KBXCAEBGSA-N 408.549 1.609 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760248312 IHKHBHRITPZKEO-HUUCEWRRSA-N 420.514 1.228 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760428490 XPFMNPVEKMITPF-ZWKOTPCHSA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760520493 PMJHBHVIZTVYRG-CVEARBPZSA-N 413.434 1.370 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)C1 1760534767 GBASZLWELXXZOM-HZPDHXFCSA-N 420.539 1.421 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1760537704 RBTKKPSUYWSOCR-OAHLLOKOSA-N 400.874 1.952 30 10 HDEE CCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1762635490 HRWXNFSGBFXUMW-KUHUBIRLSA-N 420.514 1.941 30 10 HDEE CCCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1764414904 ZEMCRLTVWFQLHV-JXFKEZNVSA-N 403.506 1.793 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCSC1 1769847148 SXKMZADPMUWUBG-SFHVURJKSA-N 422.580 1.868 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCOCC1 1770177220 IZENQDPLEYIREJ-BZSNNMDCSA-N 406.531 1.320 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1770456166 AKUDSOYVWCSYMN-DOMZBBRYSA-N 416.548 1.616 30 10 HDEE Cc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cc(S(=O)(=O)N(C)C)c1C 1772788434 SVXATCJVXDYEJJ-UHFFFAOYSA-N 402.428 1.922 30 10 HDEE CN1CCC(n2nnc3c2C[C@H](C(=O)ON2C(=O)c4ccccc4C2=O)CC3)CC1 1772792084 KHJIHESYHQTRNA-CYBMUJFWSA-N 409.446 1.404 30 10 HDEE N#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c(Br)n1 1851239135 OKHIGUJIXPRTAR-UHFFFAOYSA-N 413.297 1.858 30 10 HDEE Cc1cc(C)cc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1851328421 QHXXZSGKLUMRPE-KRWDZBQOSA-N 404.474 1.667 30 10 HDEE CN(C)C(=O)[C@@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)c1ccccc1 1851834883 YSDJBHXNCXOASK-ZDUSSCGKSA-N 405.398 1.729 30 10 HDEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCN(c2ncccc2C#N)CC1 1851852792 XKMFVQAQRAOWIH-UHFFFAOYSA-N 400.460 1.084 30 10 HDEE Cn1c(O)nc(N2CCN(CC(C)(C)C(=O)Nc3ccc(C#N)cc3)CC2)cc1=O 1852767667 XIGKEQHNCZSUIW-UHFFFAOYSA-N 410.478 1.144 30 10 HDEE COc1ccnc(NC(=O)c2ccccc2C(=O)N2CCN(C(C)=O)CC2)c1C#N 1853168217 RJNIXOMIKHSNND-UHFFFAOYSA-N 407.430 1.518 30 10 HDEE CN(C)C=NC(=S)N(C(=O)CN1CCCS1(=O)=O)c1ccc(Cl)cc1 1853216414 CPGLAQZGTANVQD-UHFFFAOYSA-N 402.929 1.583 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CCC[C@H]3Cn3ccnn3)C2=O)cc1 1853752477 VXRIJYGQIAYPIR-PMACEKPBSA-N 406.490 1.765 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854318869 KCUQQAYEPKFPPH-MOPGFXCFSA-N 404.474 1.690 30 10 HDEE Cc1cc(CC(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)on1 1854869443 JEVOFYYGDDOWHG-GOSISDBHSA-N 409.446 1.463 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1=O 1856348766 IDAVIYQPZPDYCI-SFHVURJKSA-N 418.444 1.790 30 10 HDEE Cn1cc(C(=O)N2C[C@H](CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)nn1 1856634944 ADAJSISQNCLADK-INIZCTEOSA-N 408.462 1.219 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](Cc4cccnc4)C3)ccc21 1856645456 VRHCSPTUVKPHFO-INIZCTEOSA-N 424.482 1.664 30 10 HDEE COC[C@@H](C)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856828302 BDIDFKBDUXWZSE-WBVHZDCISA-N 418.925 1.800 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)c2ccccc21 1856900352 HKHKPFFNBCWZCJ-SFHVURJKSA-N 411.439 1.613 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccccc2OC)C1)[C@@H]1CCN(C)C1=O 1857056832 QCHVRFGJQDZPDT-IEBWSBKVSA-N 413.518 1.722 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1857412461 LSYRNONRMVRQQV-HRAATJIYSA-N 400.454 1.439 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc3c(c2)OCO3)cc1=O 1871004692 SFDJUZHHJDAAIK-UHFFFAOYSA-N 411.458 1.533 30 10 HDEE COc1cc(Br)cc(/C=N/n2c(C)nnc2SCC(N)=O)c1O 1874531923 JCKGKILTNQOKTA-FZSIALSZSA-N 400.258 1.523 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 1901478682 QKOBKJXEGMUAHY-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)C2CS(=O)(=O)C2)OC1(C)C 1918015171 RMFPZUREXIRYKG-UHFFFAOYSA-N 421.733 1.178 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2090632139 SCEVAVZMMPFXIQ-MRXNPFEDSA-N 423.491 1.190 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@H]1O 2116219221 CZTXMJMYNPWYDL-RAIGVLPGSA-N 401.510 1.562 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)C1 2118167712 JSTTXBQCWKORPH-QGZVFWFLSA-N 418.519 1.858 30 10 HDEE C[C@H](NS(=O)(=O)C[C@@H]1CCCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625950 DROZNRFYDFCJIK-RYUDHWBXSA-N 402.347 1.602 30 10 HDEE CCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2243386796 HUDKTZCZJZYBEU-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243428658 OYVQODLCGPTPPQ-HDJSIYSDSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243716039 HTSBAORTUGQLPM-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247837486 SPGKYGSAOBRMQX-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2247913564 XSTAPKCTUIMEAF-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248405967 XTPHYRYWRDNWDR-UONOGXRCSA-N 423.319 1.592 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2255695008 XFUJSLDXTSYKIZ-SJORKVTESA-N 423.326 1.213 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC4(C3)OCCO4)c2)OC1(C)C 2255750266 HJBOIIYRWNNPQQ-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE C#CCCN(C(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258176005 AOEJSOJANQSTPX-QGZVFWFLSA-N 410.492 1.518 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@H]1CCCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2270504011 NALHZRNBRXLDLH-IXDOHACOSA-N 423.491 1.456 30 10 HDEE CCN(C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2281794929 LZNTZKLPMLIUEI-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCCC3(CO)CO)sc2Cl)OC1(C)C 2281961713 PWRLMEFNNLVIAY-UHFFFAOYSA-N 401.721 1.660 30 10 HDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H]1CO 2281977482 PXJYDXGOKYCTIF-LLVKDONJSA-N 400.737 1.449 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H]1CCCN1 2282315933 VHZUMJGGWGZMKX-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE COC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)OC 2282325012 YEQRUQSMSVMAMU-LBPRGKRZSA-N 405.347 1.295 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H](CO)CC3)s2)OC1(C)C 2282332518 BZWJHKIWUCFODK-JOCQHMNTSA-N 401.359 1.877 30 10 HDEE CCC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCNCC1 2282334119 XNAOCONEYGGRQA-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CN)C1 2282421359 MSZCIWIFLWCXLU-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CCN(C[C@@H](C)OC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282492295 OJUFGTVFWDOANS-GFCCVEGCSA-N 404.363 1.629 30 10 HDEE CN(CC1(N)CC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282494852 DKLHCTKLRWKKDV-UHFFFAOYSA-N 400.737 1.751 30 10 HDEE CN1CCOC[C@H]1CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642943 UJXGJJLZPCTIDP-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CC(C)(O)COCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847747 DIDDNTACYMZBKM-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)CC3CNC3)s2)OC1(C)C 2282858061 RGKDCPXFXDBACT-VWLOTQADSA-N 420.387 1.053 30 10 HDEE CC(C)[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282865214 QUWNCPCQSJNPTE-STQMWFEESA-N 401.359 1.997 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCN2CCC2)c1B1OC(C)(C)C(C)(C)O1 2282866516 KXHMVHBTNRLQNS-UHFFFAOYSA-N 400.375 1.648 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282870607 VFTRHHRCBPHBLM-GXFFZTMASA-N 401.359 1.808 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC/C=C\C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284409933 PCASTWXVYOBJTO-FPLPWBNLSA-N 401.315 1.583 30 10 HDEE Cc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329012641 ZNIXQIGGUZPNJF-HNNXBMFYSA-N 400.508 1.770 30 10 HDEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)c(O)c1 2329829253 YVLWJIRTVHSNNK-UHFFFAOYSA-N 401.423 1.879 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365170191 JQKJDURCYZCODJ-IFXJQAMLSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)COCC1(C)C 2367792220 MNOFTDVLNHHPAA-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367811512 JBTREPGDHKKQAD-YZVOILCLSA-N 400.541 1.306 30 10 HDEE CO[C@@H]1COCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2379677372 KAYNXBRPOSDSTD-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccccn1 20291986 SESBJIKHIZRFSR-DJKKODMXSA-N 413.423 1.472 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N2CCC[C@H](C)C2)n[nH]1 59888399 CAXLXCZHQWXFJG-BFNDQCEFSA-N 420.543 1.407 30 10 HDEE COc1cccc(COC/C(N)=N/OCC(=O)Nc2ccc3c(c2)OCCO3)c1 148985390 JMAPXJAJIFZMBI-UHFFFAOYSA-N 401.419 1.911 30 10 HDEE Cn1ccnc1[C@@](O)(CCNc1ccc(S(N)(=O)=O)cc1C#N)C(F)(F)F 301164879 DEOYGLNCFOEAME-AWEZNQCLSA-N 403.386 1.191 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 382590455 ILXQXLMOYUPTOU-UHFFFAOYSA-N 418.347 1.871 30 10 HDEE N#Cc1cscc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 432036962 MTZIHKPUIBYLSR-UHFFFAOYSA-N 405.501 1.712 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2c(F)cccc2Cl)c1C#N 438247700 LQUJWVGLCFBDSZ-UHFFFAOYSA-N 413.862 1.954 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 467053714 LNNGCEKTYNZYKF-UOJCXKCYSA-N 405.476 1.025 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 469002826 OZGSQJHRFAFPJS-DBXWQHBBSA-N 402.491 1.958 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)n1 474173095 VEJHWCUTJRMPLN-RTBURBONSA-N 409.490 1.043 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3cn4ccccc4n3)CC2)c(F)c1 478138881 RCCAUGYIRNYMGS-UHFFFAOYSA-N 413.478 1.993 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 478878490 ZSVQACCHFYIZEZ-PZJWPPBQSA-N 401.507 1.911 30 10 HDEE CCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(O)n1 480161202 NJNSYDMICKIHCV-UHFFFAOYSA-N 400.460 1.368 30 10 HDEE CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1c(C)nn(C)c1C 482396325 LUSCISRLXBPSGK-GUYCJALGSA-N 403.508 1.843 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 505911498 CQJNHPUSINDMHI-UHFFFAOYSA-N 421.423 1.951 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513791373 NLKDOCFZEVSVDV-IBGZPJMESA-N 401.419 1.938 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 537410733 ITYLKKWTJPISTP-QGZVFWFLSA-N 405.930 1.548 30 10 HDEE COC(=O)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(O)c1 538311963 SIONFGDUURJMFF-GOSISDBHSA-N 402.428 1.209 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(c2ncccc2Cl)C1 541900860 DMXMFDUYQJCBCL-LBPRGKRZSA-N 402.890 1.765 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN3CCOC[C@H]3C2)cc1 543553860 JRPNQAPMIUZUNF-LJQANCHMSA-N 423.517 1.929 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 546219562 GUJHKMJPJOYQSQ-AWEZNQCLSA-N 410.400 1.338 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C[C@@H](C)O1 561483087 BSVOZSVIZZIPGG-HZSPNIEDSA-N 418.479 1.147 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 568417496 KTJGUMSUPAWVFE-HXUWFJFHSA-N 420.579 1.985 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2)nc1 585245284 OFCFYTQSZIAOJH-CYBMUJFWSA-N 409.471 1.325 30 10 HDEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 587425475 MBMLHWGNPXXPHV-DFBGVHRSSA-N 424.379 1.941 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1C(F)(F)F 610584354 ZVZZZVIXUTUXPL-UHFFFAOYSA-N 411.427 1.281 30 10 HDEE Cn1cc(CNC(=O)C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)nn1 611952103 JAFQRIWJTUBVKU-UHFFFAOYSA-N 404.430 1.715 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 674469170 CJBGVFFYKVLMNV-IAGOWNOFSA-N 403.479 1.132 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 680516850 GMAAIIIXTZCJEF-UHFFFAOYSA-N 413.305 1.170 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)O 681578967 KSWFQAVEBBBYTP-OAHLLOKOSA-N 402.494 1.169 30 10 HDEE C#C[C@]1(O)CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 708200434 LINFCQCRJNEJSJ-LBPRGKRZSA-N 409.099 1.970 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(CC3CC3)cc2B2OC(C)(C)C(C)(C)O2)CC1 725436821 NJNBJBJJPHNZFJ-UHFFFAOYSA-N 420.384 1.874 30 10 HDEE C[C@@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 731730856 VLNFOOODCSQJNH-SNVBAGLBSA-N 401.872 1.800 30 10 HDEE N#C[C@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1C1CC1 732649474 XCWRQXVDBIHZML-AWEZNQCLSA-N 416.279 1.358 30 10 HDEE CC(C)(C)c1ccc([C@H](O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 734944284 ATQQIKFYMSYDKC-JLMFCZBYSA-N 400.479 1.843 30 10 HDEE N#CC(C#N)=c1sc(=Cc2occc2Br)c(=O)n1C[C@H]1CCCO1 735295282 RQFHKPZOOPBAQV-LLVKDONJSA-N 406.261 1.471 30 10 HDEE COc1cccc(C[C@H](C(=O)NCc2ccc(OC)c(C#N)c2)n2nnnc2C)c1 746922793 LCLFTHDBZRMGLE-LJQANCHMSA-N 406.446 1.971 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCCCC1 760387674 FJMSZKMVTTZEGV-GJZGRUSLSA-N 409.508 1.472 30 10 HDEE N#CCOc1ccc(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 767147382 DXQJLAHRYNCAKQ-SFTDATJTSA-N 418.497 1.847 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(Br)cc1F 769851816 DAYLFGUFQLDYRD-CQSZACIVSA-N 421.244 1.678 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 773569940 UALXNDXFIQXHAU-NVXWUHKLSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)Nc1cccc(C[S@@](=O)CCOC)c1)[C@H]1CCS(=O)(=O)C1 774047554 GZSLJLSVBHZLOU-QLXKLKPCSA-N 412.533 1.236 30 10 HDEE C#CCN(C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774206705 FQCIFHUXKUBEKR-HOTGVXAUSA-N 413.540 1.465 30 10 HDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 780203612 CUCDDEFCURPLEJ-XIKOKIGWSA-N 402.428 1.778 30 10 HDEE CC1(C#N)CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 780334244 JTZCHNKXVZRNBP-LFIBNONCSA-N 413.503 1.860 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 780863283 RIOUKAWYTQETEV-RBUKOAKNSA-N 412.877 1.616 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)cc1 781690793 YPNKIXYVVAUJMV-UHFFFAOYSA-N 402.461 1.400 30 10 HDEE COc1ccc(C(=O)CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1OC 784664871 ASGZBWFNORZVLB-HNNXBMFYSA-N 401.463 1.874 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)ON=C(N)c1ccco1 789628155 UKHUZEPNYBVSOE-NSHDSACASA-N 410.452 1.203 30 10 HDEE C=CC[C@@]1(C(=O)NC2CCN(CC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 790286490 WBHLBKWYNZXLJT-NRFANRHFSA-N 408.543 1.659 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(Cl)c1F 792220332 CHKGAJCVKVIAKZ-GFCCVEGCSA-N 408.817 1.403 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 812175892 XIKXZQDUIPFVLQ-CQSZACIVSA-N 406.487 1.099 30 10 HDEE COc1cc(C=NNc2ccc(S(=O)(=O)NC(C)C)cn2)cc2c1OCCO2 914701895 VCYVIXKFOFNYOK-UHFFFAOYSA-N 406.464 1.994 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)c(F)c2)C1=O 1129862205 BOHHWHLVMMLDNR-OAQYLSRUSA-N 410.405 1.789 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1130117403 KGHUGWSXGHHTCC-GJZGRUSLSA-N 413.927 1.843 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1131941459 RVLDSENYBKRQIX-IBGZPJMESA-N 420.531 1.835 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2cc(Cl)ccc2C)[C@H](C)COC)C1=O 1132031145 GUZVTFXCBNBJLM-CYBMUJFWSA-N 407.854 1.993 30 10 HDEE C=CC[C@]1(C(=O)NCc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1133889751 BLIUMQRTVYFORS-LJQANCHMSA-N 402.455 1.380 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2cc(I)ccc2-n2cnnn2)CCO1 1134267730 GFZLQIVONJQMKI-AWEZNQCLSA-N 424.202 1.022 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)c2cccc(C#CCO)c2)CC1 1136269559 HHWFKXPOLAADKE-UHFFFAOYSA-N 401.507 1.703 30 10 HDEE C=CCSCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1154100436 GTOKJSYZOYWJML-FUHWJXTLSA-N 412.577 1.969 30 10 HDEE C=CC[C@H](C(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1158189077 FTGVWNAPRYXWEX-INIZCTEOSA-N 410.478 1.639 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1164414736 UNFVCKLNYNTDKR-BFUOFWGJSA-N 400.472 1.957 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1178255540 LBRHHABHRUJVRO-UHFFFAOYSA-N 415.515 1.931 30 10 HDEE Cn1c(=O)[nH]c(N2CCOc3c(Cl)cc(Br)cc3C2)c(C#N)c1=O 1187832301 HLIZRIQOLDOZHA-UHFFFAOYSA-N 411.643 1.760 30 10 HDEE CNC(=O)C1(NCCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCOCC1 1197825932 HHRQVFBFXGWNCR-ZDUSSCGKSA-N 404.536 1.958 30 10 HDEE COC(=O)[C@H](c1ccccc1C(F)(F)F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198337460 SUCDJOBLGBFVGU-HZUKXOBISA-N 402.394 1.790 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 1213680068 KVVVDRHMCSOGHO-CYBMUJFWSA-N 400.342 1.891 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1224991318 BCUNXXBWQYHFCR-FXAWDEMLSA-N 405.520 1.915 30 10 HDEE C#CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1251286517 HEWDVPLGOYCKCI-GJZGRUSLSA-N 413.540 1.464 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1286389386 JARNJJQKRBFDID-INIZCTEOSA-N 407.540 1.089 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1286390669 BAWAMWPTTAPJHM-IRXDYDNUSA-N 424.567 1.614 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2CCCO)CC1 1286478783 CJMZWQGGSSCDKE-VQTJNVASSA-N 416.570 1.122 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN(C)C(C)C)CC1 1286495461 WORMFOQDMORKGX-LJQANCHMSA-N 416.570 1.826 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)CN(C)C1=O 1286574086 TZJVMZSNUGFIDA-HXUWFJFHSA-N 400.483 1.887 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCc2ccco2)CC1 1286638565 FQAAJAVTVIVPPH-OAQYLSRUSA-N 415.494 1.996 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)cc2F)C1 1286793192 VFKDRDNDDKCZIO-QGZVFWFLSA-N 421.448 1.973 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCOC1 1286961101 RNUMHVUGLVBMFO-IRXDYDNUSA-N 404.515 1.553 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)COCCO1 1289052055 NFISFDMMQOFTFL-IBGZPJMESA-N 401.492 1.191 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-n2cncn2)s1 1290680333 KZSRTCSNLQIGCF-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1COCCO1 1291605104 GNDNBFAMJLBIRD-WMZOPIPTSA-N 411.510 1.800 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 1295143847 CUCCPDKTUDRZHJ-AUSIDOKSSA-N 422.533 1.793 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1295556401 DTAVYDJKNRRTSS-NSHGMRRFSA-N 422.547 1.737 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1298102602 AASZBCFHEYLXRW-SFHVURJKSA-N 424.477 1.341 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1298326817 AGTBJUVNKORZDN-DLBZAZTESA-N 421.505 1.652 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1299016428 QKMDGRBIWOOBHX-PGRDOPGGSA-N 424.505 1.585 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1300488823 WNFRNZBFMCXYIM-INIZCTEOSA-N 417.535 1.717 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccn(CC)c2=O)CC1 1300703107 AJMCSXVXHXYAQX-UHFFFAOYSA-N 417.517 1.249 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1301083882 RRSKEVLGKKPKPX-WBVHZDCISA-N 400.414 1.442 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1301272551 HVBXRFNDCITUOZ-OLZOCXBDSA-N 424.493 1.395 30 10 HDEE COC[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301273662 IOAMHADXDVPNRO-HMWBCQRISA-N 400.483 1.545 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1301422320 GYROINXYZNPPIJ-IRXDYDNUSA-N 413.526 1.951 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1301490836 GBKREEAIJYTQOZ-UHFFFAOYSA-N 416.489 1.774 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CCC2)C1 1301536439 WIRZQFGBGZRFCY-BCOMRZATSA-N 421.567 1.597 30 10 HDEE CCOC(=O)CON=C(C(=O)N=[S@@](C)(=O)c1ccc(N(C)C)cc1)c1cc[nH]n1 1302269304 NAJQQJQXPAVZJE-LJAQVGFWSA-N 421.479 1.443 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1303758375 ALAPDQOZTDBRRY-QGZVFWFLSA-N 410.526 1.833 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1305202697 MJEOGURVJFRKOM-FKEVTRRJSA-N 402.524 1.699 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C(C)C)C3(CO)CC=CC3)CC2)o1 1307867570 HUIUXTVWWKVWHV-LJQANCHMSA-N 401.511 1.446 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCC3(CC2)CC(=O)C=CO3)c1 1308117622 XVYHQHXJKBFMDG-UHFFFAOYSA-N 401.463 1.430 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCC1(N(C)Cc2ccccc2)CCOCC1 1312354515 ZLFUDMCTJSOZKV-UHFFFAOYSA-N 409.552 1.568 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)Cc3ccc(F)cc3)C2=O)cc1 1312624984 HGZRXHXINWGBGN-UXHICEINSA-N 410.449 1.701 30 10 HDEE C[C@H](c1ccncc1)N1CCC(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1322856139 CSTOXJKONMEXGR-MVZUJROASA-N 412.494 1.433 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nn2c(c1Br)CCC2 1354425569 ARSXGOIRBTYTJA-UHFFFAOYSA-N 406.244 1.275 30 10 HDEE COCCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 1355743233 DSEIFLXDWGKWQY-PYCFMQQDSA-N 419.507 1.985 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1355777157 UKSPIOLHIOSFKS-ZDUSSCGKSA-N 400.884 1.220 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)CN1CCN(CC)CC1 1358977357 KSNLOQIUGFFBPP-SFTDATJTSA-N 412.582 1.866 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1358978102 DCOZXNLXYCJJLJ-KRWDZBQOSA-N 419.551 1.264 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1nncn1CC 1358982936 PKIWYOYMEAVPNG-UHFFFAOYSA-N 405.462 1.598 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1358993393 LOBOMJNBVJGCNJ-XUTLUUPISA-N 406.490 1.925 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1359025372 LXLLHXVYKUUDMB-JTSKRJEESA-N 414.506 1.503 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1359179607 ZGCTZPQIDLYIQE-MRXNPFEDSA-N 414.597 1.698 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359301179 ULVWWQSNSMBRCJ-ZIAGYGMSSA-N 416.448 1.157 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncc(Oc2ccccc2)cn1 1440163623 FIZLYFYCAANKIZ-UHFFFAOYSA-N 409.427 1.946 30 10 HDEE COC1(OC)CC(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1440207989 GKXNFHMUVNZSJJ-MRXNPFEDSA-N 400.435 1.279 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2sc(NC(=O)C3CC3)cc2C)CC1 1443359659 YGINPOSKEAGIOX-UHFFFAOYSA-N 402.520 1.302 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 1448511898 CFONNIYZOYQQIY-ZBFHGGJFSA-N 417.510 1.993 30 10 HDEE N#Cc1cccc(C2(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)CCOCC2)c1 1453584623 XVNWDVIVJFKPGJ-UHFFFAOYSA-N 407.426 1.839 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2CCC(F)(F)F)CC1 1455114348 CNKFSLCKVBIQND-UHFFFAOYSA-N 403.426 1.407 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC12CN(C(=O)OC(C)(C)C)C2 1456297910 XRICXDBJZNAQCL-CQSZACIVSA-N 403.479 1.939 30 10 HDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1456724777 CSIBWVSXZGGALU-CHWWFWEZSA-N 419.503 1.043 30 10 HDEE C=CCN(C(=O)CN1CCCCS1(=O)=O)[C@@H](Cc1ccccc1)C(=O)OCC 1458996654 JOIYUFKMZSQNPD-SFHVURJKSA-N 408.520 1.601 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)[C@H]1CCCO1 1463554893 CBGMTIQMNCMLCZ-CHWSQXEVSA-N 402.266 1.695 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1465029426 KLJMYTCZGIPYSU-SFHVURJKSA-N 405.458 1.531 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1466822976 WERDZRSMHHGHMU-HOTGVXAUSA-N 422.407 1.971 30 10 HDEE C[C@]1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1470395439 NXTBTOBXBFBBGQ-OAHLLOKOSA-N 400.298 1.880 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1471125008 PKFMCJLYNGIEOS-FZMZJTMJSA-N 422.425 1.996 30 10 HDEE COCc1noc(CN2CCN(C(=O)NCc3ccc(SC)c(C#N)c3)CC2)n1 1471335647 FZUNCTQEZSNKOL-UHFFFAOYSA-N 416.507 1.837 30 10 HDEE C#CC[C@@]1(C(=O)N2CC3(CC(=O)Nc4nccn43)C2)CCCN1C(=O)OC(C)(C)C 1472238678 MQSWSGGYEJPXPI-NRFANRHFSA-N 413.478 1.556 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 1475173257 BIPOACPPHMJUJE-LJQANCHMSA-N 413.499 1.501 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)CC1 1476896786 WVOWHVXCKBCCDL-HNNXBMFYSA-N 414.434 1.090 30 10 HDEE COc1cc(N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc(OC)c1OC 1479558946 JJSDBAHMMSPBOS-UHFFFAOYSA-N 418.494 1.864 30 10 HDEE C=CCC1(C(=O)NCCCN2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCC1 1493137796 DEVMUIFADVFDJZ-RMMWZPCPSA-N 401.551 1.807 30 10 HDEE C[C@H]1CN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1494528863 CJGGHKLDYVXOMS-XMTFNYHQSA-N 404.515 1.010 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1507533422 KZNAKCHATZONTK-QFBILLFUSA-N 406.534 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1507540610 HUCBADRXQIYKKQ-INIZCTEOSA-N 418.505 1.982 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(C)nn(C)c2C)CC1 1507736382 JZCHWXOFGZUNHZ-UHFFFAOYSA-N 420.521 1.638 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnccn2)CC1 1507846390 KJSBAMOPLBDSQB-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N2CCOCC2)CC1 1507894862 OILRNLRRYDQXNY-UHFFFAOYSA-N 418.542 1.458 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507954219 LLMKMQVJVRLUDA-QGZVFWFLSA-N 421.567 1.595 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1507974088 SMIJBAUXDLTMPE-UHFFFAOYSA-N 403.450 1.995 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1508060800 CPIUOLKLQWCWIP-UHFFFAOYSA-N 403.556 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 1508143803 KLVNHNPNYJPNGY-INIZCTEOSA-N 419.551 1.868 30 10 HDEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1508374994 DJGZNTOXXFLMPP-UHFFFAOYSA-N 410.482 1.582 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1510283159 TZXYVDSBYGRRNP-ZNMIVQPWSA-N 414.441 1.565 30 10 HDEE CO[C@@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1517786160 DAWJGEORTXTVSS-OALUTQOASA-N 424.505 1.501 30 10 HDEE COCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519067263 AZGVJQMDPTWBCY-UHFFFAOYSA-N 421.509 1.617 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 1521334916 MSUWMDWYDJXHQD-SFHVURJKSA-N 406.914 1.894 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3[C@H]3CCCO3)CC2=O)cc1Cl 1525577186 HHAPZPHTMSAUFW-ZTFGCOKTSA-N 403.866 1.971 30 10 HDEE COc1ccc(C#N)cc1NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1528611794 BYKGKYUGOAPQMN-CYBMUJFWSA-N 402.451 1.973 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O 1531526532 BVDCNWKWGJORMS-ZDUSSCGKSA-N 407.434 1.390 30 10 HDEE C=CCC1(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CCOCC1 1531774581 LCODEULVWOLRSK-UHFFFAOYSA-N 420.531 1.747 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)nc1 1534193863 VGYBPGFZWOVHRC-TUNPWDSISA-N 414.506 1.639 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539063243 MIEZQDPBXODDEK-INIZCTEOSA-N 404.540 1.557 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1539210759 GGHWHNCTNFKJHT-KRWDZBQOSA-N 419.551 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncn(C)n1 1539315448 MWUJEJWQKBIAJF-UHFFFAOYSA-N 413.445 1.234 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539520091 MWMSXIBPMPXRHT-INIZCTEOSA-N 414.535 1.907 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539637218 OKPCGMVMYOEINT-BJLQDIEVSA-N 416.570 1.565 30 10 HDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1539999542 MFIGHEFKGVAGAR-UHFFFAOYSA-N 421.505 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540421950 AWXQMELFCUGKJK-CVEARBPZSA-N 408.499 1.423 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1540857222 GXPDADJGHUTVJM-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCS(C)(=O)=O)C1 1540894408 XKBFDVYLAADUKR-KRWDZBQOSA-N 420.535 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1540903381 COWQELGVDISRSD-GOSISDBHSA-N 404.471 1.307 30 10 HDEE CC(=O)NCCCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1541084623 KBVIGLCCVXGRRP-UHFFFAOYSA-N 401.902 1.964 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1541111751 BKUBAZNHSYRLKQ-CYBMUJFWSA-N 413.482 1.647 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H](OC)c1ccc(F)cc1)c1cc[nH]n1 1546150651 UNFKEBKKNDTTES-KZULUSFZSA-N 406.414 1.725 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1554868857 GHYRURWSIGMDAS-CQSZACIVSA-N 424.383 1.361 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOCCCO)CC2)nc1 1555989374 JBPJYQXXNKFOIT-UHFFFAOYSA-N 422.493 1.265 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CCO1 1555993024 GTKIRKHKRXNKSN-GDBMZVCRSA-N 400.870 1.854 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)cc1 1556381876 LGSBTJZMQDQHKQ-NZQKXSOJSA-N 409.486 1.961 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 1556503997 GYTUIWRENOIVPT-QGZVFWFLSA-N 404.308 1.373 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(OC(F)F)c(F)c2)cc1 1556749315 CPTCAGQRKORVRO-UHFFFAOYSA-N 413.377 1.893 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3cnccn3)C2)CC1 1560177192 PDAGXQZPWAGDRD-GHTZIAJQSA-N 408.481 1.814 30 10 HDEE C[C@]1(C#N)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1560182774 PTVIXYRMNLNYPL-AOMKIAJQSA-N 411.506 1.971 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)cn2)CC1 1565661240 WXEBKGRLQUSSOC-YZVOILCLSA-N 403.508 1.432 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(CC#N)cc2)[C@@H](C)O)cc1 1570705598 RZHDIHOYEKUHLL-DNVCBOLYSA-N 401.488 1.405 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2ccn(CCC#N)n2)C1=O 1586593349 RSVMUGRRINCTHD-AWEZNQCLSA-N 404.471 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1587569384 XHIMRHIMOGFXED-KKSFZXQISA-N 405.543 1.939 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059504 OZVLSTGALVXSNF-ROUUACIJSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1CC 1588162215 NRDYMOXTMHDWQQ-UHFFFAOYSA-N 400.446 1.461 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1588261222 FQFLMPUKPJOUNJ-UHFFFAOYSA-N 418.519 1.449 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1588400266 YZEPVPRKPUIKTP-IAGOWNOFSA-N 420.558 1.996 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1Cc2ccccc2O1 1588673176 MRBLHZWSTLKIBT-SFHVURJKSA-N 409.490 1.490 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(N)=O)C1 1588974833 CTGSPQKNZYZXMW-IBGZPJMESA-N 406.556 1.265 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCNS(=O)(=O)CC 1589228953 VMVBPQCSPPJXGQ-GOSISDBHSA-N 422.580 1.565 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1593735297 BVHSYJHLLGIOKS-UHFFFAOYSA-N 401.471 1.606 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1594492259 WWQCCKKSBHGOJH-HNNXBMFYSA-N 403.531 1.683 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1594807422 ONXVGFVFTBNMPS-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1595393411 ZTJIDWUEFAICGD-HNNXBMFYSA-N 401.540 1.756 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1595421700 TYJDEBXDOHGNQR-AWEZNQCLSA-N 413.511 1.352 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1595523286 RYJQOUMMCDOTAL-SFHVURJKSA-N 406.494 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccco1 1595789508 VFIYEMHIMPIYKU-CABCVRRESA-N 419.507 1.765 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1596696218 UTKHFYBZWRKPND-IRXDYDNUSA-N 410.434 1.457 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1608399400 BEPWEFKTCXVWIU-VQTJNVASSA-N 418.448 1.905 30 10 HDEE C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)N(C)C 1611490174 BPFIWEXHLUDLSH-TZMCWYRMSA-N 422.331 1.725 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)o1 1612031280 ICYLXLZXKODQKL-KBXCAEBGSA-N 422.486 1.570 30 10 HDEE CCCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1614856332 GDEXGXNVAPSNOU-ROUUACIJSA-N 415.542 1.507 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C)ccc(F)c2Br)CC1 1615209789 VTXZZTLANLKSSO-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@@](C)(C#N)C2)c1OC 1618436849 HPJSGNIHOBBRCE-IBGZPJMESA-N 423.491 1.100 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1619042581 BVRITLOKNPKYEQ-QGZVFWFLSA-N 424.505 1.869 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1620346421 AVOPWDGQKHPAKF-FZKQIMNGSA-N 419.848 1.799 30 10 HDEE CCCCNC(=O)OC[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1623860761 CLPNLKCPNGTIBU-OAHLLOKOSA-N 405.455 1.118 30 10 HDEE COC[C@]1(C(=O)NCCNc2ccc(C#N)cn2)CN(C(=O)OC(C)(C)C)CCO1 1624216775 NMLJWSHUELMXIG-FQEVSTJZSA-N 419.482 1.134 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)CCC2(C)C)C1=O 1624627012 MRUHMEYUOPTIOZ-UHFFFAOYSA-N 422.482 1.211 30 10 HDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1625082042 WQFJCGYOHOJSQM-IVCQMTBJSA-N 421.320 1.929 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(F)(F)C[C@H]2CO)C1 1625301225 ZHRXOUPZOKIFIH-ZDUSSCGKSA-N 400.223 1.985 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H]2CC[C@H]1C2 1628339380 CPPTZZUMQKNRBX-DOXZYTNZSA-N 418.475 1.758 30 10 HDEE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCN(O)C1=O 1628370364 PREYVGYWBQLJEK-NEPJUHHUSA-N 415.233 1.305 30 10 HDEE CC(C)(C)C#CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629999394 WWMXNKMBSVNVQC-UHFFFAOYSA-N 413.540 1.129 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCC(=O)N=S(C)(C)=O)nnc1-c1ccco1 1630561276 RWJZUSLCFQOLSK-UHFFFAOYSA-N 411.509 1.577 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(C(=O)CC#N)CC1 1631230973 DQTROWHJFPVTCL-UHFFFAOYSA-N 404.471 1.284 30 10 HDEE C/C=C\C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1633749794 RWTUGGUVCNVKNS-MYDBLKEXSA-N 412.446 1.777 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)c3nccc4c(S(N)(=O)=O)cccc34)C2)c1 1634259845 IWRCOVZBJMAUHF-UHFFFAOYSA-N 407.455 1.690 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 1635195698 AUQSCTPOMCTRKN-JOCHJYFZSA-N 411.506 1.666 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1635266670 FMHBZHASYOGZLY-GPMSIDNRSA-N 407.478 1.884 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)nn1 1636330589 IRFDXDKHSKAQQE-UXHICEINSA-N 403.575 1.943 30 10 HDEE COC(=O)c1ccc2c(c1)N(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1637349265 FKGLYXUAUMTUFY-UHFFFAOYSA-N 413.455 1.491 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)CC3(C#N)CCOCC3)n2)CC1 1638429452 OUCAYFDINOCQKY-UHFFFAOYSA-N 419.486 1.511 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1639240146 AGLIOJIUSLDWQG-WMLDXEAASA-N 410.923 1.745 30 10 HDEE C=CCOC[C@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)C(=O)OC 1639559017 SCXAUBFIMPKJAQ-KRWDZBQOSA-N 402.451 1.837 30 10 HDEE CO[C@@]1(CO)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1641047178 WHLOPTJUUFPHSN-CMZAIVPFSA-N 407.511 1.773 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CCOC1 1641763649 IKSPDWPOKCDSGL-SFHVURJKSA-N 422.279 1.411 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1649671515 NSEMNWONBLFPSN-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CN(C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C[C@H](O)c1cccc(C#N)c1 1654984315 LWAHPBLHZUPWET-ROUUACIJSA-N 409.552 1.525 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 1655010447 XHKOHEZQUHLVQW-VFNWGFHPSA-N 400.479 1.782 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C(C)(C)c2ccccc2)c1=O 1656779388 YIPIVAZPUBYDTJ-UHFFFAOYSA-N 411.458 1.770 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1670502780 XFIKRZRFFDXFND-AZUAARDMSA-N 420.531 1.993 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1671150088 ACTMOPPIGUOQOE-SECBINFHSA-N 405.270 1.385 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1676180884 MITFEGZJMKECAY-AWEZNQCLSA-N 415.450 1.117 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 1679944740 PUXQMANYLHBHFM-BHYGNILZSA-N 407.515 1.298 30 10 HDEE N#Cc1csc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)n1 1685525092 RRJUGSIAXILDQM-ZANVPECISA-N 408.427 1.666 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689897629 CJKJLPAGYMWUMI-FQEVSTJZSA-N 422.533 1.895 30 10 HDEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1689900877 UDLFKSOKFWQIIL-UHFFFAOYSA-N 415.563 1.948 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689991928 DTBBDBJXNCIPDG-FXAWDEMLSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCC2(C1)OCCO2 1690001672 PQHYUOBQACNRKV-MSOLQXFVSA-N 402.495 1.618 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc(C)c(C)s1 1690102346 IQFIEGJHSRUPJJ-OAHLLOKOSA-N 402.524 1.631 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1690206409 QKLQESCLTFWLBX-SQGPQFPESA-N 405.568 1.657 30 10 HDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(C)(=O)=O)CC1 1690413482 VDQVLYZKPOQFLF-UHFFFAOYSA-N 410.569 1.585 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1csc(CC)n1 1690655369 QXTGJPANCQMKEV-UHFFFAOYSA-N 417.539 1.472 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCCO 1692538431 JQEQLLKPJLFOSZ-QGZVFWFLSA-N 403.531 1.146 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696378291 MNQYFGWVQNYDQR-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE COC[C@@H](Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1)OC 1697768725 LQQXTHAWVUADQS-XLIONFOSSA-N 407.515 1.720 30 10 HDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC#N 1697832246 IFMLIEPMMWZUBY-CYBMUJFWSA-N 410.438 1.846 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705530288 WDLLBOCMTYLAKS-LJQANCHMSA-N 407.522 1.496 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705542779 NZGRYMJLALXYNF-FQEVSTJZSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1705550199 UMJQZEXZSYHQRJ-MRXNPFEDSA-N 422.489 1.550 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705563841 GQWUEROHMFWNLE-HZPDHXFCSA-N 403.508 1.249 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567319 WKRHEKFJBMDCDE-LZLYRXPVSA-N 416.551 1.742 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1705604509 NVTSQUKMEIPPBF-HNNXBMFYSA-N 417.535 1.469 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(C)C)c1 1705621002 NGOZXDZGTZGHBM-UHFFFAOYSA-N 424.549 1.710 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(O)CC(OCC)C2)CC1 1705644328 MVDUSAAYXSGBGW-GENZYMQKSA-N 417.554 1.687 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1705925014 JLVADMKJNVCIIT-HOTGVXAUSA-N 413.544 1.240 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)CC1 1705936029 IGRRCJZTFNLQQJ-QGZVFWFLSA-N 411.572 1.161 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(=C)CC2)nnc1[C@]1(OCC)CCOC1 1705939126 SILTUOFUXPINND-IBGZPJMESA-N 410.540 1.687 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705949962 OIWWSDJZHAMHDP-HXUWFJFHSA-N 423.583 1.906 30 10 HDEE C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1706904243 FYGRTMGXKPFDLI-MAUKXSAKSA-N 410.478 1.231 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)no1 1707295799 CVHGVWMXPMQBBO-KBXCAEBGSA-N 404.496 1.655 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1711409638 HYKRYOOZYIRNEV-SFHVURJKSA-N 409.494 1.703 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1722276223 HUQQRBRGLXOQRA-YESZJQIVSA-N 410.588 1.611 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@@H](C)CC 1722382770 NKXYVNGHPQLBET-SFHVURJKSA-N 417.517 1.894 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1cccc(N2CCOCC2)n1 1722419077 MUQJZTPBCMXISG-UHFFFAOYSA-N 412.538 1.942 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccco2)CC1 1722437223 ARSSYQWOVBBLMD-QFIPXVFZSA-N 406.490 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](F)C2)CC1 1722441123 LRLBPPYSLBIHHK-XWSJACJDSA-N 405.518 1.896 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCC1 1722446261 CGJRHDWRBNVTMI-UHFFFAOYSA-N 422.489 1.985 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCOc2ccccc21 1722446274 CKVSNVUTCCYGQK-SJLPKXTDSA-N 409.490 1.882 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1722618632 TYUUYLPJNHVNGI-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1722685369 FWHCDBJEOZUHKJ-WBMJQRKESA-N 422.473 1.896 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H](C)C(=O)NC 1722699052 BBTBRCPSMWZRSB-ZDUSSCGKSA-N 420.464 1.268 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccco2)C1 1722728847 YZABXNKFGPZCPL-GJZGRUSLSA-N 419.507 1.417 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCOCC2)CCO1 1731188579 IBDHBKUBXYYMDD-CQSZACIVSA-N 419.432 1.417 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSCCCO 1740538587 IJQHHLIHQNEBMD-OAHLLOKOSA-N 422.576 1.922 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1740547055 NQSFJCSRGAVDJJ-OAHLLOKOSA-N 417.477 1.332 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 1740616771 GPOICXMRJMSAKT-QGZVFWFLSA-N 411.487 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSCC)CC1 1740695808 DRQQBMNVCQWRRY-MRXNPFEDSA-N 411.597 1.079 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(N)=O)C1 1740760366 PFTXHVDPAPUDMC-DAYGRLMNSA-N 416.551 1.927 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(N)=O)C1 1740789479 FGWXETGRXNESBI-INIZCTEOSA-N 413.478 1.621 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1740795900 HVKMOOGDYGYZNT-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740809376 GPQLOHVNGNELSW-ZDUSSCGKSA-N 401.920 1.385 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)CCC)CC1 1740958099 IHRLYROPBYVBCK-QGZVFWFLSA-N 418.542 1.707 30 10 HDEE CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1747538064 DIQRXOGWMZWQLX-SFHVURJKSA-N 419.486 1.190 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1748278006 NQBAMBPBHBWNSS-GOSISDBHSA-N 423.521 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1748841360 ZWNDWRXSRWWCRI-IBGZPJMESA-N 406.538 1.082 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749363502 FLKPSMRHUJYIOM-LSDHHAIUSA-N 409.556 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749663509 IELASWKOEJMKOS-OAHLLOKOSA-N 407.482 1.155 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749671905 NGUVQQQUQNTJQU-UHFFFAOYSA-N 408.510 1.372 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1750215817 HUATWAGPXCAIAB-INIZCTEOSA-N 412.516 1.312 30 10 HDEE CC(C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750636458 VVYSTTYEGWHBDA-BVFCJKAASA-N 414.510 1.933 30 10 HDEE C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1751237670 CKEHKWXJKOVERS-UWJYYQICSA-N 410.478 1.151 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1752406269 VNHYLRSXTQRZNF-MAUKXSAKSA-N 414.535 1.534 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184428 XEPJDIOQXJXGLM-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1760205573 FCWUMXGAEVYQCA-MOPGFXCFSA-N 419.485 1.778 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC2CCOCC2)CC1 1760260617 ZNBSOMJOCUFJLN-GOSISDBHSA-N 400.527 1.191 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccnc1C 1760329438 BQDZDYGCMCREHI-OAHLLOKOSA-N 407.544 1.632 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC(N)=O 1760342574 GTJLJJVFCQGFCS-CQSZACIVSA-N 420.539 1.472 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1760425533 PBKZCOBWMVQOFB-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760516437 NHQXNFDXMZBXPE-ZACQAIPSSA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760518879 KUSRKDNIYIISCQ-HRAATJIYSA-N 415.494 1.923 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCOCC2)C1 1760533637 KMGPFJPDWZBGKF-KRWDZBQOSA-N 420.558 1.308 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1OCC[C@H]1C 1761478345 HZOIGYWQJJQQMY-RBSFLKMASA-N 410.544 1.443 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC=CCO1 1761481694 SQXVYMPRTBSHTR-GDBMZVCRSA-N 408.528 1.363 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1766715500 PXAZJVLVSGYELD-LJQANCHMSA-N 417.539 1.800 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)cc1 1770733335 YIFVQUNZBQHCJA-RBUKOAKNSA-N 424.505 1.714 30 10 HDEE CS(=O)(=O)CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)C1CC1 1771355949 WQHXCACJGYHOCT-UHFFFAOYSA-N 400.464 1.800 30 10 HDEE O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)ON1C(=O)c2ccccc2C1=O 1772792304 KIJMBHLUYYFWDK-OAQYLSRUSA-N 405.366 1.134 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)ccc21 1849631068 NBTSQLOKOUEFJG-UHFFFAOYSA-N 416.547 1.984 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)cc1=O 1850210461 YHFMMZFHUXIXMT-HNNXBMFYSA-N 403.446 1.693 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCC(=O)N3CCOCC3)cc2)c1C(F)(F)F 1851700484 XUPPVDIAYZVGQC-UHFFFAOYSA-N 407.352 1.351 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cncc(Cl)n2)cc1 1852284361 VNQZWWGZVXAOTF-MRXNPFEDSA-N 402.838 1.938 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCCN(C(=O)Cn4cncn4)C3=O)CC2)cc1 1855126615 DOJZOLDGKAXHDP-LJQANCHMSA-N 408.462 1.211 30 10 HDEE CCN(CCn1ccnn1)[C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855214014 FWDNDKVPMYEVNO-KRWDZBQOSA-N 400.870 1.761 30 10 HDEE COc1ccccc1CC(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855322536 UPPZQDSPWZROLW-INIZCTEOSA-N 402.428 1.657 30 10 HDEE C[C@H]1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855955220 BQVMTFZHJFNJPK-MAUKXSAKSA-N 403.504 1.127 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)CCn2nnc3ccccc3c2=O)C1=O 1856036524 GLBHPNZKGABUDZ-LJQANCHMSA-N 409.490 1.763 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)[C@H](C)C2=O)cc1 1856196773 BLLOAUSIGKRJKI-OAHLLOKOSA-N 406.508 1.304 30 10 HDEE Cn1nncc1C(=O)N1C[C@@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1=O 1856623864 FZDCZTKSCOXXHR-MRXNPFEDSA-N 408.462 1.219 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)C[C@H]4CCCO4)C3=O)CC2)n1 1856970161 QPNUKXGFTXMFLM-RTBURBONSA-N 412.490 1.741 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCOC3)C2)CC1 1857248876 CTKISJKHESOVHC-PKOBYXMFSA-N 412.490 1.456 30 10 HDEE COc1cc(NS(=O)(=O)c2ccccc2C#N)ccc1N1CCCS1(=O)=O 1858069207 SEIPBFPYDJLPJK-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)cc1 1858416957 SKHNLFZHKPUPTL-AWEZNQCLSA-N 410.455 1.702 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 1859014061 WSBDAYGUKPNSAQ-UHFFFAOYSA-N 401.444 1.031 30 10 HDEE N#Cc1ccc(NC(=O)CCc2nnc(=NC(=O)c3ccc(F)cc3)[nH]c2O)cc1 1859090689 BAIPMHJXEVPXFO-UHFFFAOYSA-N 406.377 1.833 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c(O)c1 1862741507 UHUNKRLBKVQBLD-QGHHPUGFSA-N 414.370 1.965 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCCCO 1870479645 KSFGXKAJMFWVTD-UHFFFAOYSA-N 422.522 1.753 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(OC)cc(OC)c2)CC1=O 1872972356 SYNBBTOTDZFSAN-BTYIYWSLSA-N 410.474 1.936 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@](C)(C(F)(F)F)C1 1882729029 HZSKPAWOWQCYLY-TVLCNXBWSA-N 400.419 1.921 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 1982286687 MWOLUWGWMCQNAQ-SDDRHHMPSA-N 411.318 1.449 30 10 HDEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)C1 2010396053 FGHILCYPJYGDOG-CQSZACIVSA-N 420.319 1.998 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2012309168 IRXZBUUCTDBJJZ-OOTHTRLJSA-N 422.331 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)NCCN2C(=O)C#CBr 2018433423 WUZZZWZFMIMOJD-MRXNPFEDSA-N 400.273 1.070 30 10 HDEE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)c2ccc(C#N)cc2N)C1 2044593151 HAXFAUARIFUCJW-UHFFFAOYSA-N 400.460 1.782 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1ccc(C#N)cc1Cl 2124713557 LICNLWMHHKWQHW-INIZCTEOSA-N 403.888 1.766 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N2CC[C@H]3SC(=O)C=C3C2)C1 2200886012 AYTXBYLIRFOGHS-LLVKDONJSA-N 404.435 1.404 30 10 HDEE COCC[C@@H](CNS(=O)(=O)c1cccc(F)c1C#N)NC(=O)OC(C)(C)C 2233900827 ULKUHHSKORUPOG-LBPRGKRZSA-N 401.460 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243432171 VNKPNWYADGFPLP-MNVSYLFESA-N 410.320 1.957 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2247828948 JSPNWUMNUNIKPE-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCC(=O)NCc3ccccc3)c(O)c2)OC1(C)C 2247969050 ZHXGUFDWTUCVCU-UHFFFAOYSA-N 410.279 1.738 30 10 HDEE C=C(CS(=O)(=O)N1CCC(C2(C)OCCO2)CC1)B1OC(C)(C)C(C)(C)O1 2255956101 YQGFNBPPOHHCHA-UHFFFAOYSA-N 401.334 1.979 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158454 LULWKPMKVXQLMP-QGZVFWFLSA-N 408.476 1.574 30 10 HDEE C#CCCN(C1CCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270496767 RFKRHJZLWMKAFK-SFHVURJKSA-N 422.503 1.964 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3ncc[nH]3)cc2Cl)OC1(C)C 2282303930 CSENTOCDASQCKE-UHFFFAOYSA-N 417.749 1.945 30 10 HDEE CC1(C)NCCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339655 ZNBZZHZVHFNKFB-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCC2SCCS2)n1 2282497127 LZIVRNQLZUBUSX-UHFFFAOYSA-N 419.403 1.194 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)COC1 2282499732 RSIPENKSFUPNTP-UHFFFAOYSA-N 401.721 1.954 30 10 HDEE C[C@H](O)[C@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502152 HFIACSYVUVWRQO-WCQYABFASA-N 402.347 1.117 30 10 HDEE C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502658 OHKRZPLQSSSOQP-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](CO)[C@@H](CO)C3)c2Cl)OC1(C)C 2282642025 HXTMYTQREMYDBN-GHMZBOCLSA-N 401.721 1.374 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282815104 VWCOYAHWBIRJGV-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](F)C[C@H]3CN)cc2Cl)OC1(C)C 2282828347 MQTGDAZELOZGDT-ZJUUUORDSA-N 424.756 1.761 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H](C(F)F)C2)OC1(C)C 2282845528 UWSRLPZKNJUAHT-JTQLQIEISA-N 408.301 1.859 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H](CN)C3)s2)OC1(C)C 2282848864 SWJABPQVKVAAHV-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@]2(C)CCNC2)c1B1OC(C)(C)C(C)(C)O1 2282866473 KCYNXLUZCUXOBJ-QGZVFWFLSA-N 400.375 1.694 30 10 HDEE C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866655 MZQCEXALQBHLHL-SNVBAGLBSA-N 402.709 1.181 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3CN)s2)OC1(C)C 2282867859 FHSWQHOVQJPDJN-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284401081 DMIPBWSIHAPMJO-GWCFXTLKSA-N 401.315 1.531 30 10 HDEE CC(=CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284402583 OHMHAMSLJUKPQB-UHFFFAOYSA-N 401.315 1.665 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284403466 RWFKZGPXKCAJTP-ZWNOBZJWSA-N 401.315 1.531 30 10 HDEE Cn1nc(Br)c([C@@H](O)[C@@H](N)C#Cc2cccc(Br)c2)n1 2296226634 HHOZGPDFCDIMLG-JQWIXIFHSA-N 400.074 1.753 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1 2297644958 BYXHTJQLBMNCLU-VQTJNVASSA-N 406.442 1.474 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1C(=O)O 2330796853 KQMXSIZMXCBSQO-UHFFFAOYSA-N 419.463 1.540 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2339653100 GAXJSTNAATWHAL-STQMWFEESA-N 402.538 1.766 30 10 HDEE CS(=O)(=O)C1(C#CC2(OCC(=O)O)CN(C(=O)OCc3ccccc3)C2)CCC1 2342050029 ZGLXUVCRJJUHRY-UHFFFAOYSA-N 421.471 1.450 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]3(C)CNCC3(F)F)s2)OC1(C)C 2361656266 DWWYQAKEKLBPKE-CQSZACIVSA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(F)(F)[C@@](C)(N)C2)OC1(C)C 2362004511 OQBLKWZUHCCZLP-AWEZNQCLSA-N 408.301 1.404 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2365210696 JFQNIJFHXOQDIC-CVEARBPZSA-N 402.557 1.675 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2365211866 PJJFOAMIQZMMFU-XTDOFWJNSA-N 400.541 1.473 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1 2367787003 JNMJDSOTAVJCGJ-HRCADAONSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367795313 DLMDOQUIENQMLK-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2367809951 RZTOCLMOFQTVMH-OAGGEKHMSA-N 400.541 1.306 30 10 HDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCC3)n2)cc1 20836678 ORAXDGZLVIELSC-UHFFFAOYSA-N 409.497 1.525 30 10 HDEE Cc1nn(CCC(=O)Nc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCOCC1 21029879 KKSZKUIVGQFHES-UHFFFAOYSA-N 417.491 1.421 30 10 HDEE Cc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72444409 GQNICAINSPNZDF-JKSUJKDBSA-N 421.457 1.645 30 10 HDEE N#C[C@H]1CNCCN1S(=O)(=O)c1cc(Br)ccc1Br 97999162 SLNKUXAZQMORBF-VIFPVBQESA-N 409.103 1.698 30 10 HDEE O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCS/C1=N/CCc1ccccc1 104760877 RCKSFFQLHFBSNY-WUSCPBPTSA-N 409.511 1.968 30 10 HDEE CC(=O)Nc1ccc(C2=C(N(C)CCO)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170052795 PPBLYEARYMAZRB-UHFFFAOYSA-N 404.426 1.725 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1 410195373 YRYLLLOJCZBGPE-IRXDYDNUSA-N 405.524 1.108 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCC3CCOCC3)cc2)CC1 438330413 UWLRPCALBNSXGG-UHFFFAOYSA-N 416.522 1.944 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 460269203 ZYATZKZIUDHCNJ-UHFFFAOYSA-N 415.471 1.229 30 10 HDEE N#CCN(CC#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 463872786 QYDUFAPZUAQSCI-VMJIZDNZSA-N 400.438 1.342 30 10 HDEE N#CCN1CCC(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 464800931 HSNHMDSJXLPXSD-INIZCTEOSA-N 410.565 1.643 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 472867039 BBLXSSOHRJWCJB-HNNXBMFYSA-N 409.471 1.931 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CC1 474150631 AMRMCMCXGAXVBH-UXHICEINSA-N 414.550 2.000 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)ccc1F 485449559 DQTJHANECOKQPT-UHFFFAOYSA-N 402.495 1.793 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)cc1Br 500238649 IAIXIOIXYIHUID-OAHLLOKOSA-N 421.295 1.582 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)Cc3ccccc3)C2=O)cc1 506274175 XWAXMWPUAFWTEX-OALUTQOASA-N 406.442 1.483 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 508472599 KJTRYCUKAFTGAN-GOSISDBHSA-N 424.549 1.875 30 10 HDEE CC(C)(CCC#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 513123603 LYKMHHMACRWNSN-UHFFFAOYSA-N 423.495 1.941 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 517998793 OMGXMGGZRLKXHB-GOSISDBHSA-N 405.587 1.801 30 10 HDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)NCCN=c1cc[nH]cc1 521686164 SJOLGGONYADICD-UHFFFAOYSA-N 402.414 1.729 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1S(=O)(=O)NCC#N 523740843 ILGVSLREPHQIPH-UHFFFAOYSA-N 418.494 1.928 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1 530913627 PZRUPIYCMKQOCQ-UHFFFAOYSA-N 406.486 1.684 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)c1 537396038 SSUYCSKGADRDCR-UHFFFAOYSA-N 424.526 1.519 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1=O 542122681 LMQBMUCSBWVADR-AWEZNQCLSA-N 407.883 1.415 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 558883927 VKKHGLRNDWSTEW-MRXNPFEDSA-N 421.457 1.834 30 10 HDEE COC[C@@]1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)OCCc2ccccc21 571100731 WIAYOVUSCNZHIW-HSZRJFAPSA-N 421.501 1.899 30 10 HDEE CN(C)[C@H]1CCOc2c(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cccc21 581042421 IKULWEQJKDBNDC-SFHVURJKSA-N 414.487 1.860 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@@H]1CCCO1 603800442 XVOYBUBNIASNJR-SFHVURJKSA-N 423.538 1.511 30 10 HDEE COc1ccc(OC)c(CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C2CC2)c1 732466998 RXRPADZIQHQPSB-FMQUCBEESA-N 414.462 1.904 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 734292234 HBZIUDIBZJXCIO-HNNXBMFYSA-N 401.444 1.960 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 744772190 ADYAHMAKENKKAP-YJTLQXIOSA-N 413.540 1.663 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ncccc2Cl)C1 758314129 IAOBNOUYSCWLCL-GFCCVEGCSA-N 419.894 1.169 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 759388656 LZDFBQCVELFSRO-ZDUSSCGKSA-N 418.924 1.075 30 10 HDEE COc1ccc(CCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(Cl)c1 760700531 GSSGRYGRXOVHTQ-UHFFFAOYSA-N 407.879 1.746 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CCO2)c1 762008652 YPDDFCOVORCTKA-OAQYLSRUSA-N 420.469 1.933 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 764399120 DYVRXVJKVRNAES-GHXQLAGASA-N 421.860 1.883 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCOC[C@H]1CCO)CCCC2 767596907 DVSADKCDUYXXMS-SJORKVTESA-N 416.522 1.439 30 10 HDEE CN(C)c1nc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ns1 771360061 AQNCQDJQPQRPBW-ZDUSSCGKSA-N 414.447 1.424 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1OC)c1cc[nH]n1 772301896 FUDVRRFHYADDIS-UZLBHIALSA-N 400.435 1.549 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 780932912 SVEBYIOKAKNBQN-LEWJYISDSA-N 406.486 1.605 30 10 HDEE C[C@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1(C#N)CCC1 787733733 IITSNGDUTNVBSL-KGLIPLIRSA-N 407.492 1.535 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)NCc1ccc(C#N)cc1)S2(=O)=O 790026462 JSFGBWWJNYWQPD-UHFFFAOYSA-N 415.427 1.036 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2sccc2S(=O)(=O)C(F)F)n1 790104879 LEACXQTUNWMLJS-UHFFFAOYSA-N 417.459 1.863 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)n1 790108116 UITQPKFLNGICPU-JOCHJYFZSA-N 409.534 1.480 30 10 HDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360495 NJLPAVGWIIKMFF-UHFFFAOYSA-N 407.524 1.875 30 10 HDEE C[C@H](C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)n1cnc(C#N)n1 791121353 TWUCEJYRPIMXEI-ODXCJYRJSA-N 407.434 1.252 30 10 HDEE C[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 797417469 NEMMOXLCBYZUTL-LYZACZEUSA-N 412.490 1.941 30 10 HDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 802519222 HKSGEGXVJPZWLF-SFHVURJKSA-N 416.457 1.350 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2cnn(C)n2)c1 806225952 YRDJPGSJENPRFW-QJOMJCCJSA-N 419.511 1.730 30 10 HDEE CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)nc21 817495197 HAMHLKYJNCSCQY-RRGFCBMYSA-N 418.475 1.981 30 10 HDEE C=CCN(C(=O)[C@@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 849504262 BUHLTTLYIAHEPG-GUDVDZBRSA-N 408.568 1.436 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)c1ccc(C#N)cc1 1118944213 GPZSEFIELQUGMV-GOSISDBHSA-N 414.439 1.765 30 10 HDEE CC(C)(C)OC(=O)C(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1132328899 LOOFCBMMSQUYRO-OAHLLOKOSA-N 414.462 2.000 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2cnc(N)n2)c1 1136304165 VAKMGQCSCYTXBK-JCMHNJIXSA-N 405.484 1.092 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1136575163 MTNBMTMVIYKIFZ-GDBMZVCRSA-N 410.565 1.280 30 10 HDEE C=CC1(CC(=O)Nc2cnn(CC(=O)NCCOC)c2)CN(C(=O)OC(C)(C)C)C1 1137090810 XOJCGWITZHWTCB-UHFFFAOYSA-N 421.498 1.397 30 10 HDEE C#CC1(O)CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 1148406264 NVOMJTHGRUWPQF-UHFFFAOYSA-N 405.520 1.405 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1nscc1I 1151151353 LAGXTXQSPWRJMS-UHFFFAOYSA-N 416.248 1.629 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)cc1OC 1161017242 SXXAGTUUHJNCTG-DZGCQCFKSA-N 422.503 1.843 30 10 HDEE O=C(NCc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1cccc(C#CCO)c1 1162634566 PDNYEFAETZPKDJ-UHFFFAOYSA-N 412.511 1.191 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2cccnc2)CC1 1175514834 JIMVRQNIWNUOKQ-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCCN(c2nc(C)cc(O)n2)C1)C(=O)OC(C)(C)C 1177879939 VHBPJAMAGKGOTM-OAHLLOKOSA-N 403.483 1.446 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc(Cl)c(Br)c2)C1=O 1189702262 YPSXTTCIPHMVFH-LLVKDONJSA-N 408.705 1.905 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCC[C@H]1C#N 1196833339 RESDOJYMXDQPJO-MAUKXSAKSA-N 424.954 1.797 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 1197765430 FZYALVBVVVULIK-UHFFFAOYSA-N 424.832 1.976 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OC 1213385833 YTMFWICSJKXGJV-NSHDSACASA-N 423.260 1.473 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(C)cc2Cl)CC1 1216080343 HGZHVTKLJAZXGF-UHFFFAOYSA-N 405.307 1.919 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1CN(C)C 1225936070 CYSHBPMLVLLUMJ-BSDSXHPESA-N 422.574 1.126 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1F 1230511754 ZWIBVCVUPAPHQV-NVXWUHKLSA-N 400.859 1.753 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1235778850 FONXFOWKDUBRLJ-UHFFFAOYSA-N 422.457 1.999 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253779309 NYKRKMJYEBJHQN-HZPDHXFCSA-N 407.511 1.389 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)CC2)c1C#N 1255169062 IXSLBHCVQWSLIM-CQSZACIVSA-N 401.437 1.314 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1286279384 LMORGXNZSURNSH-CYBMUJFWSA-N 406.468 1.203 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)c1ccco1 1286365850 KWGBHFXRRCVDSB-HXUWFJFHSA-N 414.487 1.919 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)C(C)(C)C 1286420405 PYOGZWQXBXECGB-CVEARBPZSA-N 409.556 1.412 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286694933 KMLWNKGJCRAYGC-GOEBONIOSA-N 423.543 1.166 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1288312488 JLSHNRGHXCLJNQ-NHCUHLMSSA-N 418.542 1.927 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1288532051 XAXKWCNFLHCMDA-WMLDXEAASA-N 418.523 1.758 30 10 HDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C1CC1 1288651121 DZQFEGMBPLNPBL-QINHECLXSA-N 420.583 1.793 30 10 HDEE N#CC1(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)CC2(CC2)C1 1290254877 DOCDWITVYZWFPM-UHFFFAOYSA-N 416.503 1.595 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1292911085 SLJDRNJFXBFPJK-FEDUSRTKSA-N 407.467 1.174 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1299013144 JBHGQFBIRPPHDO-XMSQKQJNSA-N 424.505 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300323133 WVCVFQATBHNCGR-JXFKEZNVSA-N 418.519 1.173 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300421739 PZZDEPGNBCEMSX-INIZCTEOSA-N 407.540 1.217 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)N(C)CC)CC1 1300706815 STWIRVLARGCJMS-UHFFFAOYSA-N 408.550 1.687 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1300755181 NKLFHWCSMVQATF-YRNRMSPPSA-N 414.535 1.874 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 1301499669 DKFFJQAZVONSAE-QGZVFWFLSA-N 404.559 1.642 30 10 HDEE COc1nscc1CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1304113524 SKYZTPWSWQGXKE-UHFFFAOYSA-N 408.505 1.629 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1315163565 BLBPLLBYQXLNGD-CQSZACIVSA-N 407.496 1.244 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(COC)cc1 1316208393 DSSWUWYCSLGNPJ-QFBILLFUSA-N 415.494 1.926 30 10 HDEE COc1ccc([C@H](O)C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1324111237 AQTIIRUZEROCLR-MRJHHRETSA-N 413.474 1.884 30 10 HDEE Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1CCC#N 1353919967 JQPFORMAEGLKGA-UHFFFAOYSA-N 419.482 1.781 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCSCc1ccccc1C#N 1356476014 JOQIPZLTMKYDDS-UHFFFAOYSA-N 404.536 1.717 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1358926740 ZYQDAPBGOXXLGD-UHFFFAOYSA-N 417.473 1.824 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1358961030 QMPNZNMHJJTHGB-GOSISDBHSA-N 424.530 1.846 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1358999387 PKIYOHOMKFQPHY-QZTJIDSGSA-N 402.543 1.473 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OC 1359023160 BMFLOGWPSJFJMU-UHFFFAOYSA-N 424.461 1.544 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C(C)C)N1CCOCC1 1359024302 KHVCQDGYRBZBLY-UXHICEINSA-N 419.570 1.963 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1 1359097727 SMPNCBVHPRHTPE-DOTOQJQBSA-N 405.524 1.500 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359121985 QZQAMQQWZQYWSE-IAGOWNOFSA-N 420.539 1.167 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359164210 IMWJZUVLBKWIMU-QZTJIDSGSA-N 401.559 1.412 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(OC)c(O)c1 1359297631 WOVFEWBYXARYRL-UHFFFAOYSA-N 410.478 1.936 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C1CC1)N(C)C 1360693398 HUGDFNXJNUGVJM-URLQWDBASA-N 423.587 1.359 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1360784414 FFQMMDFNLXTPPA-IIBYNOLFSA-N 415.542 1.470 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C1CCOCC1 1437876805 OQYBXLPZQMVDBL-OAHLLOKOSA-N 400.884 1.680 30 10 HDEE COCCC(=O)N1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 1445978966 FMBHWXLSTGLGEO-UHFFFAOYSA-N 424.295 1.843 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 1452948120 RELZJPXETXZIPI-INIZCTEOSA-N 403.460 1.741 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1455700904 PWPMEJWAKNZNIT-UHFFFAOYSA-N 420.535 1.000 30 10 HDEE CC1(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1456613761 FAZXHZYEYHTKOY-AWEZNQCLSA-N 424.954 1.955 30 10 HDEE Cc1cccc(OC[C@@H](O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1465779038 UFSBCEOTUMRNCA-AWEZNQCLSA-N 406.435 1.601 30 10 HDEE COC(=O)Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1F 1466884576 BITYOPQBNXOZNV-CYBMUJFWSA-N 412.425 1.945 30 10 HDEE Cc1ccc(C(=O)N2CCSC[C@H]2c2nn[nH]n2)cc1B1OC(C)(C)C(C)(C)O1 1467285589 YVYNELBGIQLODW-HNNXBMFYSA-N 415.328 1.738 30 10 HDEE COCCCOc1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1469505321 UDVQDYSINFQJTH-LPHOPBHVSA-N 407.492 1.182 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nccnn3)CC2)n(-c2ccccc2)c1C 1473666956 TUJZZAUSYNNGPR-UHFFFAOYSA-N 416.489 1.912 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)cc(F)c2Br)CC1 1475510765 ZBUHMXCRLVYFAV-UHFFFAOYSA-N 420.256 1.524 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1478908620 RZKGEJVBCBHJJB-LBPRGKRZSA-N 418.313 1.971 30 10 HDEE Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1492721669 FWRANSDWGIKXJR-IUODEOHRSA-N 405.528 1.317 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493236006 UWBQIUKIEGAGJF-MYDZZUQKSA-N 422.493 1.744 30 10 HDEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1501925518 HIUKGLKIOCZJHO-KRWDZBQOSA-N 420.525 1.557 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1503844330 JNFIIDCQKXWETB-SFHVURJKSA-N 410.478 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1507516727 MKXXXXHFRASROC-XSLAGTTESA-N 424.615 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1507534391 STWKEEUNZORJHO-KBPBESRZSA-N 419.507 1.431 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1507564049 LZHGFRFFXTYCKY-GNZRSQJKSA-N 421.567 1.936 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507635682 YNZFBLKYSKHZDP-GOSISDBHSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507648318 NFEQHIZUCLYEHI-MRXNPFEDSA-N 419.411 1.071 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1507666746 KQQGHDWFSBKDLI-UHFFFAOYSA-N 414.469 1.715 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1507691790 HYKLKYLTTXCCTR-UHFFFAOYSA-N 421.505 1.258 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1507722086 YSVGPDSEMCVIFI-FOIQADDNSA-N 416.913 1.289 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2([S@](C)=O)CCC2)CC1 1507738734 WVPSIKSRPRGDEF-LJAQVGFWSA-N 417.579 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2COCCO2)CC1 1507738813 ZHNWKANKFXQFDY-GOSISDBHSA-N 424.505 1.030 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1507750637 AVYHDKRSRJMUHA-YJBOKZPZSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1507751387 NLTVURPYBZPOIL-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1507799776 SIHNJKWINFAXRM-UXLLHSPISA-N 421.523 1.786 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507935606 SKBXKVYQFDHJNL-CVEARBPZSA-N 402.499 1.611 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1507947053 YXIIVACEJYRURU-KRWDZBQOSA-N 421.505 1.873 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1508113170 VNONMNUWIQPXHM-INIZCTEOSA-N 412.494 1.404 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508146702 BDYBYKBOEFKKRS-MRXNPFEDSA-N 418.567 1.634 30 10 HDEE CC(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1508389195 GFMHQRQYILQFQQ-KRWDZBQOSA-N 405.462 1.748 30 10 HDEE Cc1nccn1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1511609885 AKWJNYAJYHCAGD-UHFFFAOYSA-N 404.478 1.738 30 10 HDEE CN1CCN(CCn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1517417666 HLVDQQNFJRUBSG-OAQYLSRUSA-N 412.517 1.808 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1518419133 HYHACRJFPKHZDI-ZFWWWQNUSA-N 411.466 1.538 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)CCO1 1521128655 GGXCUPRSMFQXGE-AWEZNQCLSA-N 401.858 1.248 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)nn1 1526173955 XQDBFTVYXHXZNQ-UHFFFAOYSA-N 410.544 1.121 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[S@](=O)CC(F)(F)F 1528438946 BCJSNLPBGBJXIK-MHZLTWQESA-N 401.414 1.578 30 10 HDEE CCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)C(=O)OC 1536305119 OMULLWSYHRMEAK-XJKSGUPXSA-N 400.435 1.563 30 10 HDEE C=CCCSCCNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1538475827 DAUXUSGWDSCANU-UHFFFAOYSA-N 414.549 1.755 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539220508 KBEHNBFGKSZGAZ-IAGOWNOFSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1CCC(O)CC1 1539272263 WRMJMWVFYIOXFW-UHFFFAOYSA-N 421.545 1.797 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1csc(COC)n1 1539284079 GUJRBEIPBZBOCG-UHFFFAOYSA-N 412.519 1.628 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1539317831 JVKDPFPEYKEFAJ-OALUTQOASA-N 412.538 1.049 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)NC 1539336707 CDLRTQWSLFXQJQ-UHFFFAOYSA-N 419.482 1.008 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)C(C)(C)C 1539412600 AKBCCQOTYTVNMI-MRXNPFEDSA-N 412.556 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C)N2CCOCC2)CC1 1539483291 VWYGSHVSWMOHJJ-SFHVURJKSA-N 416.570 1.163 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccn2)CC1 1540040173 ODJJIKWVXBCPEA-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1540123467 CMJXNELQNGKDFM-ZBFHGGJFSA-N 410.396 1.950 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540870877 YZFQCMHIANVKQQ-MRXNPFEDSA-N 418.542 1.215 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1540891334 SLBDQCKMEVKHJX-IRXDYDNUSA-N 410.478 1.158 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(OC[C@H]2CCCCO2)CC1 1540898121 AFLPZJYPBAZKQI-GOSISDBHSA-N 412.556 1.742 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCCc2nn[nH]n2)c1 1543195602 MJDFHIFAVSEJNS-OQKWZONESA-N 419.511 1.754 30 10 HDEE COc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1555023410 BUFBSILMMNKSCE-SCLBCKFNSA-N 422.486 1.387 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1555515173 LQDIDNBPHURDOA-ZPHPHTNESA-N 411.466 1.258 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1555671103 XYDHFAHHBUFZTG-XMTFNYHQSA-N 407.515 1.792 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 1557328790 QQUQIFRPVGTTFQ-ZVZYQTTQSA-N 424.519 1.628 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](n2ccnn2)CC1 1557709316 VYHGFPPEAKABAR-HOCLYGCPSA-N 402.480 1.070 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1558423834 ZXEVQWSXTQGWMZ-IBGZPJMESA-N 401.532 1.814 30 10 HDEE COc1ccccc1-c1nn(C)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643420 VTLYTGDTSGHANO-ORAYPTAESA-N 400.460 1.106 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1568992812 NHPBTLDNOYYQAK-ZDUSSCGKSA-N 402.900 1.418 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1587904547 JLARIFGKSUQLBO-QGZVFWFLSA-N 411.510 1.352 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1588025160 UIWYSCTVVKVQAF-INIZCTEOSA-N 421.567 1.623 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1588138495 DTHVAYBFWKYAID-MJGOQNOKSA-N 415.563 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cc(C)ccc2C)n1Cc1nnn(C)n1 1588250990 LMUDWPGCLHMEGJ-UHFFFAOYSA-N 404.478 1.509 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)CC 1588298276 ZVLTZQMEUWZFLX-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1588646128 GXMFGEYLLWGMOU-MOPGFXCFSA-N 405.543 1.225 30 10 HDEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594732457 DNGYQLFIXQAKHL-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1594948090 ALUNOPFUAGORGJ-KRWDZBQOSA-N 414.485 1.875 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC)C1CC1 1595020480 GLZPHROBYTVFBE-UHFFFAOYSA-N 404.496 1.515 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCOC1 1595205509 WHZXNJVKHIYLGL-NRFANRHFSA-N 408.462 1.924 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[C@@H](C)C1 1595754319 NAOMYQBUDSZFIT-HOTGVXAUSA-N 409.556 1.597 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 1595791319 ZNTJJLUOISXOKK-MRXNPFEDSA-N 409.939 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1595796994 DAMXCVYHDMMAFA-MRXNPFEDSA-N 405.528 1.579 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(C(=O)NC(C)(C)C)cc2)C1=O 1597732280 SQSJHPBQMBWLHW-UHFFFAOYSA-N 400.435 1.155 30 10 HDEE CSC[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1611534387 VHFSQSSECSWJNA-BBWFWOEESA-N 420.531 1.758 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1612865511 NPTQXRLHHLTJBM-ULBJJONDSA-N 400.483 1.891 30 10 HDEE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613635414 MCHRVDJTKHZWGU-GOEBONIOSA-N 411.466 1.189 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1617844634 FSZMXGMPKLQBTA-UHFFFAOYSA-N 420.469 1.849 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1=O 1618464832 XLRMSGQBNUBXIN-IIBYNOLFSA-N 410.478 1.432 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H]1C 1620111244 OBNPLHVICLKSKA-XSLAGTTESA-N 404.515 1.215 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC)c2)CC1 1622372529 PCNVPFUDRWGQLE-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE CN1CC[C@H](N2CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1623638695 LPTQPYFKMMOYOL-SJORKVTESA-N 421.542 1.385 30 10 HDEE C#CCC[C@@H](O)CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1626046566 DSZMBIKTSWMCNW-CQSZACIVSA-N 402.310 1.894 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)OC3(CCOCC3)C2)s1 1626778152 IOVNXSWLDIOYSQ-AWEZNQCLSA-N 414.549 1.551 30 10 HDEE N#Cc1cccc([C@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C(F)(F)F)c1 1632875928 ALJWAIHLPQHLRT-LBPRGKRZSA-N 407.356 1.195 30 10 HDEE C#C[C@H](NC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)[C@H]1CCCO1 1634469100 FKTUQLPWWJSUSX-JKSUJKDBSA-N 401.417 1.853 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)C1 1634554899 LPDVKWOYKAFFKY-INIZCTEOSA-N 408.524 1.096 30 10 HDEE C=C(C)COCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1635995577 QRQWPMIJLVSFKD-OAHLLOKOSA-N 416.565 1.996 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@@H](CNC(=O)NC)C1)c1ccc(Br)cc1 1636562298 JREBIOWAJHERAZ-LSDHHAIUSA-N 409.284 1.463 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1636700249 RROHYHBSSFNUDW-CYBMUJFWSA-N 405.314 1.513 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1637747475 ZYMNIONBMLBAIL-LLVKDONJSA-N 403.298 1.250 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCO[C@H]1C(=O)OC)C1CCN(C(=O)OC(C)(C)C)CC1 1637765867 SNAAEJDUPQVDQH-NVXWUHKLSA-N 423.510 1.609 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CC(N)=O)CC1 1638347225 BETXHWPFZWZGKB-CQSZACIVSA-N 406.508 1.056 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1638655739 AXFSRMHXTYVWLZ-ZDUSSCGKSA-N 411.480 1.969 30 10 HDEE N#Cc1ccc(CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c([N+](=O)[O-])c1 1642320067 UKFRBLFHZPIIFN-MRXNPFEDSA-N 406.398 1.963 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)[C@H](O)C(F)(F)F)s1 1643204549 OWKSICKAKHLNPZ-LBPRGKRZSA-N 400.444 1.573 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 1643299129 CVTKJPIQZMSNGZ-PMPSAXMXSA-N 408.499 1.470 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 1643516395 HQZSRCVFKKLMMU-UHFFFAOYSA-N 416.865 1.813 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1644284843 NSBPWUVQCNRARV-OAHLLOKOSA-N 422.507 1.536 30 10 HDEE COC(=O)[C@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1644661802 MBIMAZPOVVSBBX-MSOLQXFVSA-N 415.490 1.934 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)C[C@@H]2CCCO2)C1 1644831086 MEQXRCDQKVQCAS-HOTGVXAUSA-N 408.296 1.803 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)c1 1646345464 IGIXWXZUPPLXRW-QGZVFWFLSA-N 403.504 1.504 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)c1 1648915760 MOBBGYMQDCUESM-GFCCVEGCSA-N 402.403 1.887 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1651209095 CSMMQFXTXBNZLB-UHFFFAOYSA-N 410.409 1.949 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@H]2CC[C@@H](C(F)(F)F)O2)c1=O 1652137061 VMTUTWGWZTZVQM-NEPJUHHUSA-N 403.357 1.333 30 10 HDEE CCOC(=O)c1cnn(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1 1654485327 KMQLURFMTGBKTH-UHFFFAOYSA-N 420.469 1.996 30 10 HDEE CN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCC[C@@H]1C#N 1655297460 XSAXEBANOCMKKQ-YNHNMXGISA-N 413.503 1.858 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@@H](C)S1(=O)=O 1655529895 GCVFLDYHCDVLKX-NXEZZACHSA-N 407.311 1.517 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1659806817 XYZUSQZJCFKILK-QGZVFWFLSA-N 418.494 1.476 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)nn1 1662632008 XRKRMKREGCKRBW-UHFFFAOYSA-N 404.901 1.141 30 10 HDEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1ccc(F)c(C#N)c1 1663494875 IMZGKBGUDCFTMQ-UHFFFAOYSA-N 401.460 1.907 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(C(=O)CC(C)C)CC2)c1 1663785091 ZVQSBICGFXEEAR-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE C#C[C@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)c1ccc(Br)cc1 1664133467 MXRQCCYNNZWDFH-LBPRGKRZSA-N 412.265 1.920 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N(CCO)C2CCOCC2)cc1Br 1668646983 DDGOLOFJBIQAOV-UHFFFAOYSA-N 407.261 1.622 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)cn1 1674086114 UFHPHGPQDOWHTA-UHFFFAOYSA-N 401.434 1.232 30 10 HDEE C=CCN1CCC(NC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)CC1 1678391708 UCHWGVGAVSEQFK-GDBMZVCRSA-N 409.474 1.788 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCCO2)CC1 1682300286 FGLLZGYMMDFSBE-QGZVFWFLSA-N 422.526 1.183 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 1685177172 MYAKIMHCOLXBLP-WMZOPIPTSA-N 408.340 1.997 30 10 HDEE CN1CCN(CCCN(C)C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1686929043 BKSQIEHWOZBLOU-UHFFFAOYSA-N 412.582 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1689825980 GNEUEOPNUUUTGX-IXDOHACOSA-N 424.615 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1689826587 QYXFCUYHIXXLFI-HUUCEWRRSA-N 417.535 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689866750 JZUGIWHPXSAUED-DOTOQJQBSA-N 417.535 1.886 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1690082599 HMNFINGPIGYOOX-LSDHHAIUSA-N 403.508 1.269 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nncn1C 1690106490 YDMBEBNRGXRBLI-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2F)CC1 1690146758 VQPSGQZPQQBPHX-GOSISDBHSA-N 411.481 1.935 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CC1 1690375997 ZRLKEOFZFQJMHP-INIZCTEOSA-N 410.540 1.268 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690673560 XUURZBURUAHDSX-CQSZACIVSA-N 423.514 1.180 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690715290 HNYNUFOYKPZNKV-CQSZACIVSA-N 410.500 1.272 30 10 HDEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1698226034 MVQVLSFLJUQAMK-LJQANCHMSA-N 411.510 1.103 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1698318168 WBSRVXJFVCOFKN-SFHVURJKSA-N 417.470 1.198 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1705516674 GYXOMNWPTBXVAB-KSZLIROESA-N 406.552 1.989 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N(C)C)CC1 1705647369 CSRZNDBECFIVSB-WMZOPIPTSA-N 402.543 1.436 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1705691460 FXEKLGGXHFGZJJ-CQSZACIVSA-N 422.331 1.715 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705828408 MWPYXHLFJJDKCE-IEBWSBKVSA-N 413.526 1.485 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1705883900 ABOVQDHLEAAQPZ-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1 1705906569 JCOJUSWNTOLMBN-KRWDZBQOSA-N 419.457 1.150 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1705935685 AICYVVKRUHDVQL-QGZVFWFLSA-N 419.555 1.970 30 10 HDEE CC(C)CO[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706530118 XOKZTCMHGDQNNQ-IGGDJGDASA-N 414.510 1.933 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1706672477 OZJSOZALUNUXIJ-NSISKUIASA-N 423.489 1.566 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1706936799 BOHOZRWXPZDQJF-LSDHHAIUSA-N 415.498 1.638 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1707800015 HPRQGPYXFVDWOU-UHFFFAOYSA-N 404.478 1.494 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(OCC)CCOC1 1710314729 HMWJUQNQKZZJRP-YWZLYKJASA-N 406.531 1.831 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1711028293 QMLJIIHPRVWIPD-IRXDYDNUSA-N 414.535 1.991 30 10 HDEE CN(CCN1CCOCC1)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1711220028 ACDRJCUTLPEWLH-UHFFFAOYSA-N 407.478 1.545 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1712228894 UDCUMQQGLSJVEG-CYBMUJFWSA-N 409.450 1.700 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722276018 GPFQCJJXAYLXDZ-BEFAXECRSA-N 410.540 1.355 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1722388116 VKIUMNZNPZJGJF-SFHVURJKSA-N 411.506 1.520 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCCC(C)C 1722395860 CEBDULWMPQLUJB-GOSISDBHSA-N 406.552 1.706 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)CC1 1722436588 JDCZIRAZRVVFDX-SFHVURJKSA-N 423.521 1.215 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1722439848 RPORKXGRKJPDPS-UHFFFAOYSA-N 419.595 1.733 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1722531485 NWNRTBQETQLXGA-UHFFFAOYSA-N 400.483 1.404 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1722534641 UTHFQPOCFZHJSQ-KRWDZBQOSA-N 414.485 1.815 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1722700029 SZBPHVMLNCRJNU-INIZCTEOSA-N 400.870 1.553 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1722702441 NWAJMXNXWOETHC-JKSUJKDBSA-N 418.542 1.343 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCC(=O)N1 1723186926 MLOIKXVVOXQQIC-HUUCEWRRSA-N 409.498 1.057 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1COc2ccccc2O1 1723579269 YRNDJJAGRQNWGS-MRXNPFEDSA-N 410.478 1.996 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1740531589 OXFMYLKLJQTJNT-FIKGOQFSSA-N 401.511 1.700 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(=O)NC)CC1 1740582461 DJIRGCBKXKCRIC-UHFFFAOYSA-N 420.315 1.911 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740622824 JBGRZRUZCHOBTL-FUHWJXTLSA-N 406.552 1.989 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740716443 RJXUDTIXUWXDNE-OAHLLOKOSA-N 402.524 1.385 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740835202 QNIJEYIXUBJRFB-LJQANCHMSA-N 403.508 1.292 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1740899937 RGAVQKYVDFQYBJ-CYBMUJFWSA-N 403.574 1.375 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1740961993 OQIBTOHYDLXJOW-UHFFFAOYSA-N 400.502 1.841 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)CN1CCOCC1 1748798127 BPGOSKYOQGYGAU-MRXNPFEDSA-N 416.551 1.307 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748815419 QHBOLNBLQQWXSJ-KZNAEPCWSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cn2ccc(C)cc2n1 1748851690 JXVPHYCUQKSLBX-UHFFFAOYSA-N 401.474 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1748867166 BGBIUMJPQPGODX-HSZRJFAPSA-N 423.517 1.449 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCOC[C@@H]1CCOC1 1749073727 XEARUSYAWGCBSP-PGRDOPGGSA-N 415.538 1.836 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1749420304 DGFBDCMROAGZBP-KRWDZBQOSA-N 407.482 1.602 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749458014 VGOLUWVKAJEZGT-UHFFFAOYSA-N 413.588 1.977 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749671473 BPWZCNLAZGWMTF-MRXNPFEDSA-N 401.515 1.929 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1749741298 WXUISZPKPJRDJQ-IBGZPJMESA-N 406.556 1.396 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1750208447 CWZUBZVJRFMPIV-RDTXWAMCSA-N 419.486 1.064 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1750506773 AIMFZVNFHDKAJT-SGTLLEGYSA-N 407.450 1.196 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCO1 1750954786 YJVLVCSZKQEHFJ-HNNXBMFYSA-N 411.466 1.130 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)F 1760109733 DEFGOEAXTOSBMK-AWEZNQCLSA-N 413.432 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1760117919 VUVMODAUJNACOB-HOCLYGCPSA-N 418.519 1.704 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1760188579 PJVMAVWDCYMXOS-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC 1760207801 XROSZAYGJFBYAH-UHFFFAOYSA-N 415.519 1.096 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1760225035 FULOTRTUTFPZSN-OAHLLOKOSA-N 404.540 1.721 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760267887 DSFGKOSHUXDTST-HXOBKFHXSA-N 422.533 1.857 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760345201 NADRVSZGZGELKH-QGZVFWFLSA-N 409.494 1.231 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCOC)CC1 1760401263 DOXQHWKLQGPSPR-QFBILLFUSA-N 412.556 1.370 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](COC)C1 1760514665 KIKUTCXTKLMPJV-OAHLLOKOSA-N 413.482 1.090 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1760688910 PTKJJRBHSDHSSM-NSHDSACASA-N 418.303 1.819 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC(=O)N1C 1763078568 OHWKIVCOVZTAOB-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC(F)(F)CO1 1767863366 GYPSRXFBCRVJFO-CQSZACIVSA-N 420.420 1.774 30 10 HDEE COC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCCC1 1768226211 CPPXBBYIGAIOIM-INIZCTEOSA-N 407.540 1.879 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1769137978 UJVOBXIULNWUNT-LJQANCHMSA-N 422.489 1.457 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)CC1 1770754534 XUOMWQDVMXKCDO-QGZVFWFLSA-N 409.556 1.863 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(-c3ccncc3)nn2)CC1 1848611228 FQLUZEHKRDFAIX-UHFFFAOYSA-N 406.471 1.921 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)CC1 1849789152 AKFXGKBNSHEDAP-SFHVURJKSA-N 410.518 1.871 30 10 HDEE COc1ccccc1-c1ccc(N2CCN(C(=O)c3cnc(C#N)nc3)CC2)nn1 1850961651 GTLNLKSWHYFPOY-UHFFFAOYSA-N 401.430 1.776 30 10 HDEE Cc1nc(C(=O)N2CCN(CCn3ccnc3)CC2)c(C#N)c(C)c1Br 1852407976 QTQWMIFKCRZCAU-UHFFFAOYSA-N 417.311 1.987 30 10 HDEE NC(=NOCCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1cccs1 1853588958 VAOGQEGYHUUVSK-UHFFFAOYSA-N 404.467 1.899 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)COCc3nc4ccccc4s3)C(=O)C2)C1 1853705673 ZDIHUYVPLNAUBI-MRXNPFEDSA-N 414.531 1.744 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2conc2C2CC2)C1=O)[C@@H]1CCN(C)C1=O 1854222831 BASFRPPWZPLPMF-DLBZAZTESA-N 400.479 1.792 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COc2ccccc2F)C1=O 1854262947 PAECFPVDKARQQD-ROUUACIJSA-N 417.481 1.831 30 10 HDEE CC[C@@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1855046840 PLJQKVBFBZDZIR-DZGCQCFKSA-N 405.476 1.594 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(=O)[C@H]1C 1856262553 KYSPWJQBFUYHME-DLBZAZTESA-N 407.474 1.657 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1856428076 IOLIHEPVWGJGDX-OALUTQOASA-N 417.531 1.516 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCn2ccnc2C)C1)[C@H]1CCN(C)C1=O 1857080007 JCEHZWJIAVIBLQ-MSOLQXFVSA-N 401.511 1.066 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1857241763 RSADWFZPEXBMJM-INIZCTEOSA-N 401.486 1.715 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)c2ccncc2F)c2ccccc2N1S(=O)(=O)CC#N 1857458206 FFBZISPHLYRWKN-GFCCVEGCSA-N 402.407 1.846 30 10 HDEE COCCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858650999 ALHYNVWNDRCFEK-UHFFFAOYSA-N 416.459 1.123 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCC(CO)CC1 1870502148 BQSVZRQVLDQLMF-UHFFFAOYSA-N 418.519 1.713 30 10 HDEE C#CCOc1cn(CCCO)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870561815 DWHTUHHRLBCTCQ-UHFFFAOYSA-N 411.502 1.574 30 10 HDEE C=C(Br)CS(=O)(=O)NC1(C(N)=O)CCN(Cc2ccccc2)CC1 1948842305 OMJRQQZBNWFPJB-UHFFFAOYSA-N 416.341 1.335 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)c1ccc(C#N)s1 2118162298 IINSZSUJGOYJKH-UHFFFAOYSA-N 421.522 1.191 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CCC[C@H]2C(=O)N[C@@H](CS)C(=O)O)CC1 2180244654 RMCCHOJJBNOCAA-KBPBESRZSA-N 401.529 1.350 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)C[C@H]1C(=O)O)C(F)(F)F 2180571467 CDLMQLSHYWGGBO-SSDLBLMSSA-N 400.222 1.697 30 10 HDEE COCC[C@@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)NC(=O)OC(C)(C)C 2233899730 PDILMDLXZHVLPD-ZDUSSCGKSA-N 401.460 1.905 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)N[C@@H](C)S(C)(=O)=O)s1 2237727567 MRJVNMPCTCYWBO-LLVKDONJSA-N 402.347 1.546 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446347 HCZQXVVFQKUADI-RKVPGOIHSA-N 403.545 1.710 30 10 HDEE COC(=O)CCS(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2241158034 PWCQUVZPDIHRGR-UHFFFAOYSA-N 404.681 1.339 30 10 HDEE COCCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243422903 NXEJZURZRNRTBB-UHFFFAOYSA-N 400.288 1.403 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267463875 DENYIANRHHJQQN-DEOSSOPVSA-N 407.388 1.484 30 10 HDEE Cc1cc(C(=O)N[C@H](C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2281993665 FFYSPZUDMGEKJJ-LLVKDONJSA-N 401.359 1.909 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282319570 VQLFZTCEGAYFPO-RUZDIDTESA-N 423.387 1.789 30 10 HDEE Cc1nnsc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282321458 XIYKTWDWTHCMSS-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CCN(C)[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282414266 QGASHEGFGVZYNB-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CN([C@H]1CCCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282492786 QNFUXBIVXDOAOU-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE CN(CC1CNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282501725 AXMIZYGCFUHNCC-UHFFFAOYSA-N 400.737 1.479 30 10 HDEE CC[C@@H](C)[C@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505589 GIXWUQYNZITWDR-TZMCWYRMSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@]2(C)CCOC2)OC1(C)C 2282508707 AAMOYMBIGYPHOH-INIZCTEOSA-N 402.347 1.288 30 10 HDEE CN(C)C1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282509886 QVMBKOZFZMICRN-UHFFFAOYSA-N 400.737 1.574 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@](C)(N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282824495 BQOAXPBRMWMKFS-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(CO)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282848784 RSLSAEANDDDIRU-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2C[C@](F)(CN)C2)OC1(C)C 2282868247 KZAPMEXBJJUZHA-AITUWYQGSA-N 404.338 1.403 30 10 HDEE C[C@@H]1C[C@@H](C(=O)O)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284398285 WFZBPDQQDIHSRV-PWSUYJOCSA-N 401.315 1.425 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284408114 SEKBNKDRZINRKW-RKDXNWHRSA-N 421.733 1.700 30 10 HDEE C[C@@H](COCC(=O)O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2284465023 MMOJZPOCSSTBOZ-VIFPVBQESA-N 403.693 1.920 30 10 HDEE CC[C@H](C#N)N1CCN(C(=O)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)CC1 2360616573 VPYBMOIZOSDWNG-CABCVRRESA-N 400.460 1.949 30 10 HDEE CC(C)(CNS(C)(=O)=O)Nc1ncc(Cl)cc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c1scc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369537319 AZXLAFZOVXKBFD-NSHDSACASA-N 401.359 1.909 30 10 HDEE C=C1COCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2379825006 SCNGWMGJWJXVML-UHFFFAOYSA-N 400.331 1.161 30 10 HDEE C=CCOc1cccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCCCC)c1 66064573 SLWZHNDGZGFYOQ-GOSISDBHSA-N 403.479 1.724 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NCC#Cc1ccc(C(=O)N(C)C)cc1 96352241 CZGQDAZZIDPYFL-UHFFFAOYSA-N 406.485 1.567 30 10 HDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(C)c1 409721230 GMQGBARYSOFMQX-IRXDYDNUSA-N 410.478 1.466 30 10 HDEE COCCN(Cc1scnc1C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 427999245 YSHRTHQFLCTIOB-UHFFFAOYSA-N 422.532 1.851 30 10 HDEE CCc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 433623265 CPBHPYSOLVNBCE-UHFFFAOYSA-N 419.528 1.816 30 10 HDEE COc1ccccc1CCNC(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 435641430 JKCYFIDZBQYZED-UHFFFAOYSA-N 407.879 1.857 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)cc2C1=O 448190959 RRIDIHXFGZGTGU-AWEZNQCLSA-N 409.364 1.752 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21 460389165 PXZPPHSRYCNQIK-BBWFWOEESA-N 409.556 1.956 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 464418988 TXFNHGDYRFDTMZ-UHFFFAOYSA-N 405.398 1.789 30 10 HDEE CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 471943804 OMAAVMIJLYYVKS-MRXNPFEDSA-N 401.510 1.532 30 10 HDEE COCCN1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1=O 481078311 RBNLBPVHKMYEBF-AWEZNQCLSA-N 408.480 1.085 30 10 HDEE CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 482512742 POMYUUHNZQJRDW-JQHSSLGASA-N 404.536 1.699 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[C@@H]2COc3ccccc3O2)cc1 482522208 HTYQGDQQOOZXPP-QGZVFWFLSA-N 400.456 1.819 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 504147019 YLEWVCYZUFHQBR-LJQANCHMSA-N 406.442 1.608 30 10 HDEE Cc1ccc(NC(=O)CN2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 506028112 QHUCQDHGZFOAKC-UHFFFAOYSA-N 420.535 1.580 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)CC2)c1 512669533 VAEQUQIBWNEOSI-KRWDZBQOSA-N 409.483 1.334 30 10 HDEE CC(C)(C#N)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 512792581 LWZPCXATPOFZLH-UHFFFAOYSA-N 408.480 1.023 30 10 HDEE COc1ccc(NC(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 513654041 JALMHPCAGJKJRP-AWEZNQCLSA-N 422.507 1.872 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1C 517872073 BAEWSTMYWYKWBT-UHFFFAOYSA-N 402.476 1.488 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC12CCCCC2 586864840 JYZSLJUGLHKLKP-UHFFFAOYSA-N 400.454 1.707 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)NCC3CCC(C#N)CC3)cn2)CC1 619661419 SJCPHFCISVJHHB-UHFFFAOYSA-N 420.539 1.615 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 680938059 KWYSJBNFELBGGR-CQSZACIVSA-N 402.322 1.653 30 10 HDEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 685544973 WSMYZAOTSPKLAM-OALUTQOASA-N 413.522 1.530 30 10 HDEE CN[C@@H](C#N)[C@H](C)n1cnc(I)c1I 699335036 OCJKJQJEZLHDMR-WDSKDSINSA-N 416.004 1.765 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cnn3ccccc23)c1=O 729669317 KQGWGHNJQKODTP-OAHLLOKOSA-N 424.526 1.712 30 10 HDEE O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCCN/C(O)=C1/N=CC=CC1=O 732155795 GAMKVJITWFNECP-MRCUWXFGSA-N 413.430 1.453 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](C#N)c3ccc(F)cc3)C2=O)cc1 733622584 WBMMMTQVNHONME-UWJYYQICSA-N 410.405 1.982 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cc(OC)ccc3OC)c2=O)cn1 735067857 ACAQGCKQHNZWGE-UHFFFAOYSA-N 421.482 1.549 30 10 HDEE N#Cc1ccccc1NC(=S)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 735985742 ZKXNXFHDTYUFKD-UHFFFAOYSA-N 408.549 1.818 30 10 HDEE COc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)ccc1OCC(N)=O 742191200 FLOYGLZHUKCNIJ-UHFFFAOYSA-N 408.458 1.830 30 10 HDEE COc1ccc(Cn2c(Br)nc3c(=O)n(C)c(=O)n(C)c32)cc1C#N 746617325 CLORHIKEAJDKIG-UHFFFAOYSA-N 404.224 1.125 30 10 HDEE N#C[C@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)N1CCS(=O)(=O)CC1 759333926 QRTMHFMNGYWLEZ-OGZRUICASA-N 417.874 1.867 30 10 HDEE CCN1C(=O)c2ccc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2S1(=O)=O 763722810 KCYQOOCTLZYCJG-UHFFFAOYSA-N 422.426 1.556 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H](C)c2ccc(Br)cc2)CC1 770287950 BDEIZPONMFGQET-OAHLLOKOSA-N 406.324 1.836 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccccc1F)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152024 FATUPJBJYGABPE-WMLDXEAASA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 774245972 QQGDJGDUUSPATA-JKSUJKDBSA-N 415.556 1.758 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC(=O)N3C)c1=O 774531518 USNXDAYAIXRNSI-UHFFFAOYSA-N 421.522 1.711 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2CC(=O)N(C)C2)c(C(=O)OCC)c1C 779204533 IMZHLUHGLKRHQG-UHFFFAOYSA-N 409.464 1.246 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)[C@@H]1C)[C@H]1CCS(=O)(=O)C1 779683509 GCPIJOIGCBEEBD-OWCLPIDISA-N 413.540 1.606 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780203855 CAXDYEXTPJNQDU-HXUWFJFHSA-N 411.414 1.207 30 10 HDEE COc1cc(Br)c(F)cc1S(=O)(=O)NC(=O)c1ccc(C#N)nc1 780649135 GDTDRZQBCPRWBJ-UHFFFAOYSA-N 414.212 1.982 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCC2CS(=O)(=O)C2)C1=O 786683993 UFRZRRRHSHCNEA-CQSZACIVSA-N 413.496 1.328 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=S)NCCc2ccc3c(c2)OCCO3)n1 788332911 YELKEYORUYRLEH-UHFFFAOYSA-N 414.531 1.853 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 790629145 JOUOYAYPPPXFHS-QGZVFWFLSA-N 413.427 1.440 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CC[S@@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790664464 RNYGXLGUZVFURC-WTYVLRPYSA-N 413.584 1.855 30 10 HDEE C[C@@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)N(CCC#N)c1ccc(F)cc1 790682535 KTCGBZMQMMBHKW-VFNWGFHPSA-N 415.421 1.617 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2cccs2)c(F)c1 804162808 SZUCMJWMIFLWJP-WBVHZDCISA-N 417.462 1.726 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 809890252 YFKXATKMBOQFCB-HRCADAONSA-N 423.514 1.623 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(F)cc1 812748909 WHLKITBBCKOFNM-GOSISDBHSA-N 415.446 1.051 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)cc1 817028922 SGWKXKVRKXVYAM-HOTGVXAUSA-N 400.232 1.886 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@H](Cc3ccc(F)cc3)C(N)=O)NC[C@H]2C1 849086620 GLYNUJVESXXHNE-RDJZCZTQSA-N 419.501 1.350 30 10 HDEE C#CCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 918755140 STQJSPFGTWSRIP-QGZVFWFLSA-N 418.544 1.376 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1ccccn1 1084409275 QBLXUSIHOFRFJF-UHFFFAOYSA-N 414.407 1.990 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1124571511 GKLOGMSMJRITAG-UHFFFAOYSA-N 421.425 1.992 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)CC1 1128861168 GFXPPCULAAXAMU-ZDUSSCGKSA-N 405.476 1.316 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)Cc2ccc(OCC#N)cc2)C1=O 1132647039 FDJAIGGVRIOLKL-SFHVURJKSA-N 415.490 1.970 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1 1137067304 RWAXCVREPKYHHC-UHFFFAOYSA-N 405.520 1.720 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)c1 1141168423 PDNNLXPBGCUFNJ-HNNXBMFYSA-N 400.522 1.190 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C(=O)OC 1141995478 QSBBQWYEQZDYJL-GOSISDBHSA-N 402.447 1.237 30 10 HDEE COC(=O)c1cccc2c1CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 1143080578 UBAKYKVZQGQPRJ-UHFFFAOYSA-N 412.467 1.845 30 10 HDEE Cc1ccc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1151219820 XLTSMULBWNVKAQ-VXKWHMMOSA-N 412.295 1.419 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCNC(=O)CC34CCC4)C2=O)cc1 1154259941 QFSLTPISVPGXCR-MRXNPFEDSA-N 409.446 1.034 30 10 HDEE Cn1c(=O)[nH]c(N2CC[C@@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1164164918 LKFNCEHWWBZOKB-MNOVXSKESA-N 417.388 1.227 30 10 HDEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757347 OULUVOVDZGJSGF-DCGLDWPTSA-N 417.553 1.030 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)c1 1187955891 RFEVQCICOJOBES-QFIPXVFZSA-N 420.425 1.792 30 10 HDEE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cccc(Br)c2C#N)[C@H](C)C(=O)N1C 1194076191 IBLIJHNJFWMQKS-GMTAPVOTSA-N 400.298 1.949 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(OC)CCS(=O)(=O)C2)cc1 1199059518 UMNLJHPPTQJXQE-HXUWFJFHSA-N 421.519 1.826 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1276310078 COBFGGDNRMOFEX-NHHWGVFUSA-N 401.551 1.971 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1286276226 WOANURRDIXAVPL-JZXOWHBKSA-N 424.615 1.857 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286363419 NVADSMSHYWXBOZ-RTWAWAEBSA-N 401.511 1.399 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC(C)C 1286378534 UJSVBINVRAZDCU-UHFFFAOYSA-N 419.551 1.871 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1286496248 BVOHMQORZGLVQA-FQEVSTJZSA-N 424.574 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)NC(C)(C)C 1286783312 JSSAAEJFCXBVLO-UHFFFAOYSA-N 419.917 1.647 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286786420 ROPXZZFGUQNTHF-UHFFFAOYSA-N 420.521 1.831 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCOC2(CCOCC2)C1 1286787143 PGNGBTOOZKCUMO-UHFFFAOYSA-N 412.494 1.337 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286788197 RVRJVWZKRXNXJX-CQSZACIVSA-N 419.917 1.776 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1286792502 ZSKRTOOWNYETPV-UHFFFAOYSA-N 410.478 1.240 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1287136666 DLICZMHQDFYWLX-JOCHJYFZSA-N 424.505 1.585 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1291702358 DHQPDLFZGGBDIQ-CABCVRRESA-N 416.544 1.504 30 10 HDEE CC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1293393419 XVLOMKZVJOFVKK-MEUCICPISA-N 422.493 1.888 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300402823 DONGDGGCQFLXMP-OAHLLOKOSA-N 412.494 1.914 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300485209 UYJRONGVNXAHDP-LSDHHAIUSA-N 421.567 1.117 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300505744 HVFCYKSJZOHLHD-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1300528539 YIKXQRHHSNQSQC-UHFFFAOYSA-N 410.503 1.391 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCNS(C)(=O)=O 1300562024 YTTKZRIRGNWIPS-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@](C)(O)CCOC)CC1 1300690528 CNSHGZLWLSWNIP-FQEVSTJZSA-N 418.929 1.536 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300776764 MYVKHDFMOOGAEM-KRWDZBQOSA-N 404.540 1.975 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1300799120 WMEVJLIJQITFPY-HXUWFJFHSA-N 417.535 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1300802150 IRMFTMPBDUJVRY-QFBILLFUSA-N 422.551 1.452 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300996358 DVZMLJOGZUGMGB-INIZCTEOSA-N 420.514 1.270 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301187030 NKTUELANYKDMKP-ZWKOTPCHSA-N 413.526 1.996 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1301356503 ACIIKZGVIJNTTR-UHFFFAOYSA-N 400.512 1.847 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncn(C)n1 1301417559 UQIXIVJABOCDMK-UHFFFAOYSA-N 421.303 1.851 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301508457 MGNUYVHQIUHMRO-JOCHJYFZSA-N 410.522 1.328 30 10 HDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1301529916 NZHQYNAKWHCVFX-LJQANCHMSA-N 422.489 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1301589840 YJZDUWRVWGZBEK-GASCZTMLSA-N 400.545 1.318 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301617833 JLSXLKSQEMGWMS-OXJNMPFZSA-N 421.567 1.704 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302510869 KCWZZEMIPZHNIZ-YZKLYEFMSA-N 415.519 1.785 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1305547265 FBAYFXSLXYVONF-GOEBONIOSA-N 403.508 1.972 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(C#N)cc2)CC1 1308010961 GTLIJMFSIRZFIW-SFHVURJKSA-N 405.506 1.208 30 10 HDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1308033085 KOKJCKMBKUFNFQ-NRFANRHFSA-N 414.437 1.653 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(I)cc2)nn1 1309749556 FQOAOZPUMMHAQQ-UHFFFAOYSA-N 418.260 1.937 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)NCC(=O)NCC#N)C2CC3CC(C2)CC1C3 1312660015 DHRPAKWCSLXOOR-UHFFFAOYSA-N 419.526 1.645 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1314450173 ZUSAHFPLSQGDNJ-IRXDYDNUSA-N 416.526 1.945 30 10 HDEE COc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1315539563 CSGIQNCLFOELKC-SJORKVTESA-N 412.450 1.046 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1326595259 GAYQBJIUQMSLIF-QZTJIDSGSA-N 403.479 1.791 30 10 HDEE C#CCCOc1ccc(C(=O)N(CCOC)c2c(O)nc(=O)n(CCC)c2N)cc1 1351425652 QZJNCFZMNOUGRX-UHFFFAOYSA-N 414.462 1.636 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1358936199 GKTPENMMLDWVSL-VQIMIIECSA-N 410.540 1.357 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1358961468 ZVLFYLXQOZLDGH-GOSISDBHSA-N 422.514 1.719 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)CC1 1359177987 GJWQSPDEDQTWGN-LJQANCHMSA-N 422.533 1.991 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359207605 PVFGORZAEOTCMT-ROUUACIJSA-N 404.559 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1359296393 HXHZMJDOROYAPZ-OAHLLOKOSA-N 419.489 1.462 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](CC)O[C@H](C)C1 1359299221 YWSPNQYTFHTYIB-KGLIPLIRSA-N 416.482 1.312 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(OC)CC1 1359303850 CQKWIODGQSHBJF-OAQYLSRUSA-N 415.542 1.837 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359306366 DQKFLCLSJJXILE-QGZVFWFLSA-N 420.558 1.226 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1359572948 DHEXJWFGAQXGPM-HUUCEWRRSA-N 406.487 1.773 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1359593117 CNPSGHGIKQLMGF-YYIAUSFCSA-N 405.499 1.341 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)F)n1Cc1ccc(C#N)o1 1360661770 WCSDBVIJXXHKHH-SNVBAGLBSA-N 402.427 1.493 30 10 HDEE O=C(NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)c1cccc(C#CCO)c1 1442944021 SAJWSCHAONBJQF-UHFFFAOYSA-N 411.889 1.762 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1442990482 YSAUKRPZRABLPB-MRXNPFEDSA-N 409.508 1.398 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)CC1 1444337954 MBNAPNDGZZWOED-SFHVURJKSA-N 403.548 1.714 30 10 HDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(C#CCO)c2)CC1 1455641145 QERDBFCQVRSHOP-QFIPXVFZSA-N 405.498 1.146 30 10 HDEE COC(=O)c1c(CC(=O)N2CCc3c(sc(N)c3C#N)C2)[nH]c(C(C)=O)c1C 1456731126 DOSPEWJEYZPQFU-UHFFFAOYSA-N 400.460 1.955 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C(=O)OC 1457150087 ZEQPZFGMVLYXKD-IRXDYDNUSA-N 415.446 1.134 30 10 HDEE CO[C@@H]1C[C@@H]2CN(C[C@H](O)COc3ccc(CC#N)cc3)Cc3cccnc3N2C1 1460622837 XITYRGMSUMJHOI-RZUBCFFCSA-N 408.502 1.997 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462357651 RFKWHCYNHVQACR-AUSIDOKSSA-N 402.454 1.917 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 1464339300 UGBMYRSEIXNNOT-SFHVURJKSA-N 409.446 1.938 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1465200528 KQCIDLBRWYLNNF-UHFFFAOYSA-N 421.295 1.074 30 10 HDEE CCO/C=C/[C@](O)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1468480414 LBTJMPPTQLKWLX-OZSKJFCKSA-N 409.368 1.900 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(=O)c2ccccc2[nH]1 1471366385 ZJLSPBZRTJVLKO-UHFFFAOYSA-N 410.455 1.273 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1 1471929931 VGGGUOCBDVHIDH-TXDAXLQXSA-N 406.504 1.301 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1473788364 JEZNJOOGCZZXBM-SFHVURJKSA-N 415.559 1.353 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]([C@H]4CCOC4)C3)CC2)o1 1473870499 LHMPMEWKEQDRAC-MSOLQXFVSA-N 401.511 1.642 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1475414313 PENOFZRGVDXAJO-GWCFXTLKSA-N 424.338 1.722 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1478504285 GMMYPSASEPFPSM-OKZBNKHCSA-N 406.508 1.359 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1499099104 WKFRDTVUBWIJFG-RBUKOAKNSA-N 410.522 1.969 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](c2nccs2)C1 1503371384 FSTKTWCINGPCMY-INIZCTEOSA-N 423.502 1.939 30 10 HDEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1504452600 BVKZXDIHFPNXOT-UHFFFAOYSA-N 417.473 1.970 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1504849383 KPEYIPHDTBMWSE-JOCHJYFZSA-N 424.505 1.822 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 1507593167 JRWALLWERYNMRH-UHFFFAOYSA-N 408.506 1.846 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1507687157 LEAAQGQLXOVWPO-OAHLLOKOSA-N 403.556 1.648 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC(=O)NC 1507710359 OBUCEHMQBJQQGN-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccc2c(c1)CCO2 1507710661 SPYXOYMBPRKNHD-UHFFFAOYSA-N 404.474 1.999 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1 1507754258 MKXVYXCSQBGREV-KRWDZBQOSA-N 405.568 1.891 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507799340 WAJTZJSUNAFDKZ-UYAOXDASSA-N 410.522 1.993 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@]2(CCO[C@@H]2C)O1 1512417534 AGMWTHZOURZBSC-XCGNWRKASA-N 424.505 1.678 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1516217436 ACFXBZIXDKOOSK-GHTZIAJQSA-N 413.478 1.607 30 10 HDEE COC(=O)[C@H](CCC(=O)Nc1nn(C)c(C)c1C#N)NC(=O)OCc1ccccc1 1529919542 GFEXKQJIKSFHSR-INIZCTEOSA-N 413.434 1.787 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1539086537 IACQRDNHALXFDN-SFTDATJTSA-N 417.510 1.765 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@@H]1CCCCO1 1539238775 BSYYEDBXSPSIEC-IRXDYDNUSA-N 407.540 1.310 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1539344513 BJZXWAWGKCBERW-PMACEKPBSA-N 407.584 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539363056 JZFGXWJSJDSQCD-INIZCTEOSA-N 423.443 1.848 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cn(CCCC)nc2C)CC1 1539445696 COWGVQQJQREFHK-UHFFFAOYSA-N 419.537 1.844 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)C(C)C)CC1 1539453170 FVMILIWJAITXIX-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539490924 JUJCLPUMYBMDRP-GJZGRUSLSA-N 404.540 1.030 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1539751472 NYOUOZGPAYSLAS-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1540072261 KCZGPVQHAQWVNC-GOSISDBHSA-N 419.551 1.784 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1540808666 WLDIBBQHYAGHFV-UHFFFAOYSA-N 415.556 1.425 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1540861663 AZBSUCFBHKWTBF-OTWHNJEPSA-N 404.559 1.404 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540867983 OFYHIJIILLAKNS-CALCHBBNSA-N 415.542 1.131 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1540869037 ABFBAMQSNRRIKB-XHSDSOJGSA-N 416.526 1.315 30 10 HDEE C=CC1(CC(=O)Nc2ccn(CCS(C)(=O)=O)n2)CN(C(=O)OC(C)(C)C)C1 1544398944 PHBFKNLDPQQHOV-UHFFFAOYSA-N 412.512 1.679 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)cn1 1554330039 WAJKCJMTWQJQEG-LJQANCHMSA-N 400.462 1.427 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC(=O)N2)C1 1555985659 SXPVADCXDZXARG-CWTRNNRKSA-N 404.396 1.868 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CCN(CCC#N)CC3)CCC2)C1 1557980678 JHIJVAHICAQFKJ-JOCHJYFZSA-N 420.554 1.977 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1558795586 BZXMUIHFEXBVKY-INIZCTEOSA-N 416.526 1.388 30 10 HDEE N#Cc1ccccc1NC1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 1560036027 OQUXUGFNXRBNFA-UHFFFAOYSA-N 405.506 1.573 30 10 HDEE N#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 1583395600 QFEVFFSKPMOZTR-LJQANCHMSA-N 405.520 1.839 30 10 HDEE C#CCCOc1ccc(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1583906990 NQSAHQATJXTNMC-UHFFFAOYSA-N 406.486 1.952 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1584769180 ROLJIBDEAIRYAB-HXUWFJFHSA-N 405.451 1.295 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1584816480 ZMRALORZIAHMRV-JQHSSLGASA-N 417.487 1.321 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)cn4ccnc34)C[C@H]1CS(=O)(=O)C2 1585138795 MOUINKDHRJFNPB-BONVTDFDSA-N 409.265 1.107 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](C)OCC(C)C)CC1 1585675036 DAURCPQRWNYHRT-MLYQTUFZSA-N 402.535 1.924 30 10 HDEE Cn1c(=O)c2cc(C(=O)Nc3ccc(Br)c(C#N)n3)sc2n(C)c1=O 1585749457 AWYPXXIUQPAOAL-UHFFFAOYSA-N 420.248 1.580 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC2)cc1C 1586904217 PDIWCPHHUDKDQE-HXUWFJFHSA-N 406.552 1.664 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588054274 MVKLCCRZODIVPI-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nccs1 1588084888 XTRZAYSZOGTKEB-UONOGXRCSA-N 406.537 1.221 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCCC1 1588180762 KFFDQBUVNMNLEG-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588238082 KCJDEIMSSDRUFT-LJQANCHMSA-N 420.517 1.222 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)CCC(C)C)CC1 1588864744 JOHRQNQJJRQCRU-JOCHJYFZSA-N 416.570 1.343 30 10 HDEE C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1593677867 PVJDWAHREHFBLA-FQEVSTJZSA-N 407.515 1.190 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1593746744 LYZATBAHZOHXCB-CQSZACIVSA-N 407.496 1.324 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1594963032 OUECRJVVDPCOKW-GOSISDBHSA-N 424.615 1.220 30 10 HDEE CC(=O)N1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1596031607 QQTCYTKAQBAWOZ-PXNSSMCTSA-N 404.490 1.873 30 10 HDEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)cc1 1611975903 HWPVSTVMWOTBMT-KRWDZBQOSA-N 423.521 1.848 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1614974862 KEBULAJTEFBHLO-UFRUDQCGSA-N 408.506 1.940 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1615323437 UXQSRFLWNMSZDB-IAGOWNOFSA-N 404.515 1.549 30 10 HDEE COC[C@@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1619614073 ZFJKKAQIMYOXRF-WMLDXEAASA-N 405.430 1.676 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OC 1624256802 NMAMSNFINAMTEX-HIFRSBDPSA-N 420.462 1.689 30 10 HDEE C=CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1625224201 BJHAUGFNHKMUFW-KRWDZBQOSA-N 410.430 1.010 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1)c1cc[nH]n1 1626219208 TYJFGBFRUUTONW-LJQANCHMSA-N 408.455 1.131 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc2n(n1)CCN(C(=O)OC(C)(C)C)C2 1627706903 XYBONPBKOWPTGQ-UHFFFAOYSA-N 413.500 1.356 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)c1 1627812814 PDVVTFNISAEBQF-UHFFFAOYSA-N 421.519 1.726 30 10 HDEE C[C@@H]1CCn2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2C1 1629484708 CDQZHPWSFJHCLX-OAHLLOKOSA-N 413.503 1.484 30 10 HDEE Cc1ccc(F)c(-n2cc(O)c(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)n2)c1 1633055497 FIVJCPWUOQYGRM-UHFFFAOYSA-N 423.452 1.901 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cc(F)c(F)cc2C1 1633235008 IJNXXYJGBZMWNP-UHFFFAOYSA-N 405.426 1.978 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1634109960 RNOQOHSAEUDDGO-MGPUTAFESA-N 406.483 1.388 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1(NC(=O)OC(C)(C)C)COC1 1636270278 CCTHUBHPDDJAPX-CQSZACIVSA-N 416.482 1.069 30 10 HDEE CS(=O)(=O)NCCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463341 GHMKHSDNYREHQS-KNVOCYPGSA-N 418.306 1.555 30 10 HDEE COCCN(CC#N)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1637302054 PCJJVQNPNUWBKE-UHFFFAOYSA-N 404.492 1.413 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 1638122302 OXMWHMIVXPKGFY-UHFFFAOYSA-N 405.451 1.651 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1638476247 ZMKQBRDWFOWGHB-LJQANCHMSA-N 416.503 1.353 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2 1640062247 LAPIMBBACNDLSS-QYWGDWMGSA-N 417.531 1.729 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1640415495 GOFYBWKIYMBIRP-QGZVFWFLSA-N 414.487 1.883 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1 1645144236 ZOLPHXZOBYTHAL-JKSUJKDBSA-N 401.488 1.527 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@](C)(C#N)C1 1647827770 HALVETLKXRGVOR-BEFAXECRSA-N 406.508 1.270 30 10 HDEE C#CCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 1652172465 CSOGPVXMRCMVJM-UHFFFAOYSA-N 402.438 1.779 30 10 HDEE CCCCN(C(=O)Cn1cc2c(c(C#N)c1=O)CCCC2)[C@H]1CCS(=O)(=O)C1 1652860910 GTGKXBDXVDXBFC-INIZCTEOSA-N 405.520 1.415 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)C1CCOCC1 1657634184 GXIGIXDHEUHJED-INIZCTEOSA-N 408.524 1.553 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OC 1671557476 SFXXVJGVJMTNDQ-CYBMUJFWSA-N 404.510 1.113 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1677815059 QVQMVIDXFHKCLT-ROUUACIJSA-N 413.518 1.996 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 1680025099 UBBMCZSNMSEILM-XLIONFOSSA-N 400.504 1.971 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1 1681325593 FLQJNFZPBUPEDS-SFHVURJKSA-N 422.445 1.765 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 1682047645 HWOXSFCQTDOIOT-UHFFFAOYSA-N 419.478 1.958 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 1682428384 LXYBKNREIHGQOM-KURKYZTESA-N 401.511 1.551 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccccc3CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1684467954 VGHYLHFASUCHOM-HOCLYGCPSA-N 401.410 1.871 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C[C@H]1C(F)(F)F 1684863273 KBDTUGWONIZGHN-RBSFLKMASA-N 401.410 1.642 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)C1 1685176796 CXSVEMPFCDMDMZ-AABGKKOBSA-N 403.571 1.106 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(CCOCc3ccccc3)CC2)c(=O)nc1O 1686193292 FKRJJCOBLYKVKZ-UHFFFAOYSA-N 411.462 1.507 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1689824848 ZAKYEXWVEQQYCB-INIZCTEOSA-N 412.494 1.827 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992641 NNTONRCGPGHSBZ-ZWKOTPCHSA-N 407.584 1.444 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1690025617 XVMYILQXZADIOL-SFHVURJKSA-N 412.515 1.673 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(COC)CCOCC1 1690030466 VHQGKRNLOVBSLR-UHFFFAOYSA-N 401.511 1.322 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1csc([C@H](C)OC)n1 1690102445 LDXJVZIENWGOFB-DZGCQCFKSA-N 418.523 1.527 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1690525699 OHDBFCCEQVVJMG-CQSZACIVSA-N 417.518 1.587 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690663691 CZAZTVRWXLTSHA-MRXNPFEDSA-N 400.483 1.501 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690664114 KMWLGJSNMRNILO-MGPUTAFESA-N 401.467 1.533 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCOCC2)C1 1690697321 SRCRVDWXAYSBII-ROUUACIJSA-N 413.526 1.485 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(F)(F)F)cn1 1696854564 NZVJDVAWSKQCBS-OAHLLOKOSA-N 424.431 1.782 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CCO1 1696963863 FNFXZJTXLZZUTF-MRXNPFEDSA-N 423.502 1.467 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CCO1 1696968896 YQFLNOXKUBWVMZ-SFHVURJKSA-N 422.445 1.418 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1698487206 DGUNHVIEMLMTDF-HXUWFJFHSA-N 415.519 1.747 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CCO1 1698491026 OZMDHUXDUGVTCB-CYBMUJFWSA-N 409.288 1.927 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1705541120 AFRHXRLXZDDIAH-OAHLLOKOSA-N 404.540 1.068 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1705604725 SHKPILJAYCIMMB-HNNXBMFYSA-N 405.524 1.599 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCOC)CC1 1705647666 KOSBPZRYRNQYLS-KRWDZBQOSA-N 416.526 1.012 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1705739802 RXNWKXAHBCXYLP-INIZCTEOSA-N 404.515 1.085 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705817260 FYQDZSTWJZXETQ-QGZVFWFLSA-N 418.542 1.312 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705923893 PIUOPJCKPHTOAH-DVSFIDLUSA-N 414.510 1.784 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC1(O)CCOCC1 1708701183 CEQMZOGPVCMWSG-OAHLLOKOSA-N 406.531 1.866 30 10 HDEE CN(c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1711038726 TWBQZBCXZQIENW-MGPWXQLLSA-N 402.499 1.618 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CCOCC(F)F)C2 1712879147 RJDVKLGLEGSNPX-LBPRGKRZSA-N 420.420 1.599 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722280776 WQDSISVNJKNVLO-KGLIPLIRSA-N 403.508 1.425 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722316204 DGPZBKTVSDKMIR-DLBZAZTESA-N 416.551 1.711 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722363274 ZTRNIOGHTGQNQP-KXBFYZLASA-N 403.508 1.469 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1722364617 MCAKMEXHBSXLDY-BEFAXECRSA-N 420.560 1.763 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1722384488 WSIJVMHIQCMKAS-IBGZPJMESA-N 424.526 1.626 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722425986 UFDQXWGNZWNGJN-JOCHJYFZSA-N 408.506 1.361 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1([S@@](C)=O)CC1 1722428189 XAOJYLIKPBJBIF-MUUNZHRXSA-N 404.540 1.137 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1722433571 AHIXPGYKXSMLNE-FQEVSTJZSA-N 406.490 1.377 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NCC=C)CC1 1722437250 BFWWHGNRPNNNFA-UHFFFAOYSA-N 417.517 1.494 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722522840 GVHAYYUOGIOLIH-MRXNPFEDSA-N 403.508 1.845 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722600257 NIULATPDDFYPNN-HUUCEWRRSA-N 410.544 1.056 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1726723435 QACLJNXIDOKZKM-QFBILLFUSA-N 413.478 1.759 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC[C@@H](C)C1 1730762249 BYEPOBMTFRWTFL-SQNIBIBYSA-N 417.558 1.716 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CO)c1 1730874226 IAPTVANAFCCONA-MAUKXSAKSA-N 401.467 1.271 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1730875758 MGZXCSYQYJYRJC-MSOLQXFVSA-N 420.558 1.853 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1731003228 DASLBACILIVVKD-INIZCTEOSA-N 412.878 1.870 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COc1c(C)nn(C)c1C 1736482426 IEYMOTHYPGTMGF-ZBRFXRBCSA-N 402.495 1.255 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cnccn1 1740584005 DWBWHPBGHBUASE-UHFFFAOYSA-N 400.450 1.761 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740590613 IKERYIFOIZNJKA-DLBZAZTESA-N 406.552 1.725 30 10 HDEE C#CCN(c1nnc(C)n1Cc1csc(-c2ccco2)n1)[C@@H]1CCS(=O)(=O)C1 1740617973 ZQZKBGIPBUYAQQ-OAHLLOKOSA-N 417.516 1.978 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1740626653 XYPKNYALFPOBED-LKGOPFMKSA-N 416.551 1.733 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1 1740686359 RJSRNJWESZYOIG-INIZCTEOSA-N 406.483 1.454 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740717981 FDWSSJBYSARJMV-QGZVFWFLSA-N 405.568 1.843 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)CC 1740729237 BNTCHFFQVONTPU-LJQANCHMSA-N 402.524 1.580 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1740738149 DSEDSNSLTAVJEJ-IEBDPFPHSA-N 410.313 1.591 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1740762823 WBJSFKZNOJXMQS-BZSNNMDCSA-N 419.551 1.901 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740886908 WWYXRABNWINXRS-MRXNPFEDSA-N 420.539 1.178 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740958219 LEJFECVGTFZDHH-UHFFFAOYSA-N 408.506 1.810 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740958485 QIBHXFYTJMXJKV-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1740982337 UZXIXYGHPODCMP-QZTJIDSGSA-N 404.559 1.565 30 10 HDEE CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1741113042 HAQPCSDTMGWGME-SFHVURJKSA-N 401.402 1.821 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCn1cc(Cl)cn1 1741123838 BMDIWQCAALHJIC-RYUDHWBXSA-N 414.923 1.034 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1741127795 IWWZRAUBCDCESB-CQSZACIVSA-N 417.901 1.838 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741286253 OSTBTBGLPZWITF-KRWDZBQOSA-N 410.526 1.612 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1748639387 GGBHYNCKDWETIR-OGHNNQOOSA-N 411.553 1.315 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748817574 MSMUVXCHUDDDFA-MSOLQXFVSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cn2ccccc2n1 1748825117 QAEGXALDHVMDBI-UHFFFAOYSA-N 424.468 1.889 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C 1748828313 BMSVEIQYVQZLIZ-UHFFFAOYSA-N 403.284 1.587 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1748921064 XGCSAYIZOAQTLO-UHFFFAOYSA-N 404.478 1.475 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1748956495 FEPIOPDYONQJCU-IIBYNOLFSA-N 400.479 1.580 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1749020431 SNIWEXLBDIFFIG-UHFFFAOYSA-N 400.508 1.501 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1749226038 MTXORHNXCBONBY-DLBZAZTESA-N 407.515 1.452 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749363333 AVIUUEQXIRHFIL-ZWKOTPCHSA-N 416.570 1.990 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1749457594 SMSUIIUTZUIWRG-LSDHHAIUSA-N 400.487 1.292 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1749466537 SZICRKNCUJZAQX-IBGZPJMESA-N 403.487 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CC)C1 1749730453 FESUIQLYPIIEMQ-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749741299 WXUISZPKPJRDJQ-LJQANCHMSA-N 406.556 1.396 30 10 HDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1750584176 GKABYGJTHVFUQD-LVCYWYKZSA-N 413.478 1.697 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O 1751171123 CUSGZRDESSNMNM-CQSZACIVSA-N 405.524 1.847 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760183223 PGVZYWPTRIQZHL-NVXWUHKLSA-N 404.540 1.395 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760187918 LWHLBNUCZSCAPU-SQNIBIBYSA-N 422.551 1.573 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1760396821 JEMARVCBPBFSHK-FCHUYYIVSA-N 419.570 1.788 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)nc1)C1CC1 1760476215 KJSOVJAOKVNYOI-UHFFFAOYSA-N 409.494 1.957 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760527225 PLCCNGZRKMHKEL-HRAATJIYSA-N 403.527 1.697 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](Oc2ncccc2F)C1 1760527963 OHQCGVWPKFQKFF-HNNXBMFYSA-N 418.473 1.699 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC1CC1 1770190295 XOHZXWPVKCTVSF-WMZOPIPTSA-N 402.499 1.268 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1771187944 KANFFPYHDGGYPH-YWZLYKJASA-N 417.489 1.953 30 10 HDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCN(C)C1=O 1848761407 SDUAUZMZKGOXHK-ABAIWWIYSA-N 417.890 1.391 30 10 HDEE CCc1ccccc1N1C[C@@H](C(=O)N(C)C2CN(c3nccnc3C#N)C2)CC1=O 1849817852 BLPPGBVGDHMGHY-INIZCTEOSA-N 404.474 1.611 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)CC2 1851412044 VOARWKVFEYDOTD-QGZVFWFLSA-N 419.894 1.673 30 10 HDEE CC(C)[C@H](C(=O)Nc1ccc(C#N)nc1Br)N1CCS(=O)(=O)CC1 1851763177 KHXKRKVQWOAXLU-CYBMUJFWSA-N 415.313 1.409 30 10 HDEE N#Cc1ccc(CN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)c2cnccn2)cc1 1852496817 HNZIFCJTGKPINW-GOSISDBHSA-N 405.458 1.909 30 10 HDEE COCC(=NOCC(=O)N1CCC(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853453302 CSWVORIVFROBKQ-UHFFFAOYSA-N 411.524 1.817 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)CCC1=O 1854357517 ZHTVURWVQUJGFF-MAUKXSAKSA-N 421.494 1.666 30 10 HDEE N#Cc1ccc(CC(=O)N2C(=O)CN([C@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1854995699 XOOZKFDIGGRAHR-KRWDZBQOSA-N 409.467 1.668 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)CC1 1855047389 VSSVFKVQBWRZBV-CQSZACIVSA-N 400.454 1.515 30 10 HDEE C[C@@H]1CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCS1(=O)=O 1855433721 VOQTUPSQAKKLTC-QAPCUYQASA-N 403.504 1.589 30 10 HDEE CC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1855795558 GXUDYSMUGPJBDZ-SFHVURJKSA-N 402.882 1.701 30 10 HDEE Cc1noc(C)c1C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855888987 LIBGXNAHJAVTDS-MRXNPFEDSA-N 408.462 1.369 30 10 HDEE Cc1cccc(OCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857020026 UIHNGOWPIHKUFV-QGZVFWFLSA-N 419.503 1.314 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCOC[C@@H]3c3cccnc3)C2=O)ccn1 1857330289 SJLPSWBTEZSCHG-VQTJNVASSA-N 405.458 1.943 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccccc1C#N)C(=O)N1CCN(Cc2ccccc2)CC1 1858060309 JFIYZTUHIGHZAB-QGZVFWFLSA-N 412.515 1.569 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858394331 UKZBTWBDSYFUMZ-UKRRQHHQSA-N 408.380 1.899 30 10 HDEE O=C(/C=C/c1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860636545 HZDQALRXOUUUMQ-DAFODLJHSA-N 410.386 1.650 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 1861615723 CYFHUMCNWYGNSA-QRVBRYPASA-N 413.518 1.428 30 10 HDEE N#Cc1ccccc1NC1=C(Cl)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863985343 KOKXVEBFYDGQNX-UHFFFAOYSA-N 416.846 1.637 30 10 HDEE CCN(CC)CCCCNC(=O)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(C)C 1869927829 DPCQJWMZEJPYRE-GOSISDBHSA-N 408.568 1.988 30 10 HDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)OCCO2 1869929942 PLIYKFWCLWSTRF-OAHLLOKOSA-N 407.492 1.259 30 10 HDEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870562220 WHTSNRRIFDTMGL-UHFFFAOYSA-N 409.534 1.529 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC[C@H](C)C2)n1 1871507020 GFXUBUSCLJGRSG-ZDUSSCGKSA-N 403.512 1.519 30 10 HDEE C=CCN(CC=C)c1nc(=NCCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871578260 WPFPSUYXYZKRAP-UHFFFAOYSA-N 405.846 1.603 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCC(C(N)=O)CC3)ncnc2n1CCCOC 1873586700 IXRKVECJIUQAPW-UHFFFAOYSA-N 400.483 1.085 30 10 HDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874341678 POGRIYUBRMRSJE-BBJIBYMTSA-N 403.508 1.978 30 10 HDEE COCc1nnc(SCCO)n1/N=C/c1cc(Br)cc(OC)c1O 1874505346 HYORIDGOAFHLPZ-FRKPEAEDSA-N 417.285 1.868 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)OCC12CC2 1880980677 VTPAGCSSHNCASO-AWEZNQCLSA-N 402.403 1.909 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1884296538 DDPIFFVHGUDWSG-YJBOKZPZSA-N 410.499 1.587 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985095441 DQECGWOOVDGSDV-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 1985102412 GOALRJKSALUCQW-UHFFFAOYSA-N 410.320 1.909 30 10 HDEE C=C1C(=O)O[C@H]2C=C(C)[C@H](OC(C)=O)CC=C(CO)C[C@H](OC(=O)/C(C)=C/CO)[C@H]12 2085667580 INXZZSZBRLXKNT-UQNPOFLCSA-N 420.458 1.525 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C 2118170462 QYCMKAYGPGZNRY-CANCMXDXSA-N 408.546 1.431 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2124421745 WHZRCGMFWKVPDU-SECBINFHSA-N 423.271 1.981 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2243108941 UCVDAJODKFNQJN-LBPRGKRZSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C1COC1 2244548975 WUWBRYKHDOLGJR-OAHLLOKOSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247824724 ZVQVMLJAAWIVNI-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2248575179 YOVPOZVECRBEMW-UHFFFAOYSA-N 413.283 1.914 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258164492 SKGGKNFRWDJMPF-DOTOQJQBSA-N 408.476 1.129 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(OC)C2CCS(=O)(=O)CC2)C1 2281277116 PQEXQJNTNNXQQT-UHFFFAOYSA-N 400.497 1.260 30 10 HDEE CN([C@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306416 MWUDHRXHBOEJNZ-IWIIMEHWSA-N 418.777 1.539 30 10 HDEE CC[C@@]1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCCNC1 2282333333 NBZVQNLFBUHEAM-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CC1CC(CO)(N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343292 PHRGLWUSFTWCTL-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCCC(N)=O)c(Cl)c2)OC1(C)C 2282501659 ZZHAKOVHPHLJSO-UHFFFAOYSA-N 423.127 1.446 30 10 HDEE C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506149 NZUFGSIHDQRMNW-NEPJUHHUSA-N 400.737 1.749 30 10 HDEE CO[C@@H]1CNCC[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639471 ZZBNZKFBMILGEY-NWDGAFQWSA-N 400.737 1.807 30 10 HDEE Cc1sc(C(=O)NCCCCS(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282652967 BGUAOKGALLAHGL-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE CNC[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282832967 DSYVURGZTZGJEB-ZDUSSCGKSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@]3(Cl)CC3(F)F)c2)OC1(C)C 2282834222 QPWWXZLTOGGLNY-AWEZNQCLSA-N 408.663 1.676 30 10 HDEE C[C@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1 2282842694 BMCUXJYJJFJZSX-RYUDHWBXSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@]2(C#N)CCSC2)OC1(C)C 2282844600 GMJQQNMFLNLOQY-INIZCTEOSA-N 414.383 1.866 30 10 HDEE Cc1nc(S(=O)(=O)N(C)CP(C)(C)=O)c(B2OC(C)(C)C(C)(C)O2)n1C 2282846536 LGDIYMVBVOBBLS-UHFFFAOYSA-N 405.266 1.228 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCCN2)OC1(C)C 2282846748 NYYYTKHTSCTGCB-LBPRGKRZSA-N 401.363 1.004 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](CN)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282866262 GRJOZAABPZAYFK-ZDUSSCGKSA-N 402.391 1.926 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CC(F)(F)CN2)OC1(C)C 2282881408 XJQRHYMRESEVKO-SNVBAGLBSA-N 408.301 1.323 30 10 HDEE CCN(CCCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284394797 CKICXUFXWZTRRN-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)O 2284405866 QIYHLCIWWIILGB-LLVKDONJSA-N 401.315 1.593 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@]2(NCC#CBr)C(=O)O 2324778759 FLCABAUHCZGUNE-FQAFMMTASA-N 417.300 1.705 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@H](O)c1nn(C)cc1I 2361388682 QCDVECSPPBRKNM-YPMHNXCESA-N 405.305 1.935 30 10 HDEE C#CC#CC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2362094882 VDXDRWISHAOBCX-UHFFFAOYSA-N 411.741 1.958 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365205244 SVXCPCDSUCRYIE-CLCXKQKWSA-N 402.557 1.729 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)CCCOC1 2367800205 HUARJNXUGZXZGR-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@](C)(N)C#CC1(S(C)(=O)=O)CCC1 2367819948 PYNGNTVGNZUWAA-CRAIPNDOSA-N 400.541 1.701 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 4285066 ZGDHMHXPYUDCNF-UHFFFAOYSA-N 407.492 1.549 30 10 HDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 21328090 LTDZWNACSXBAIJ-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1 29898804 VPDMAWXSWWDSSY-AWEZNQCLSA-N 403.508 1.960 30 10 HDEE N/C(O)=N/S(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2ccccc2)cc1 33387728 XJXVOBHIWUEZHT-WDZFZDKYSA-N 404.473 1.774 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)nc1 54140143 BSNCBEONTMGCDZ-MRXNPFEDSA-N 411.412 1.933 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc21 427282376 DXQSZELNRMIUKC-HXUWFJFHSA-N 416.437 1.949 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 460389955 ROOLKRAAXAYQHP-KGLIPLIRSA-N 401.558 1.129 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)o2)CC1 468269783 HUZDPAKZQLWDME-UHFFFAOYSA-N 417.897 1.769 30 10 HDEE COCCN(Cc1scnc1C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 470506699 ZHQWWTVXIMZXEP-CQSZACIVSA-N 422.532 1.665 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc([C@@H]4CNC(=O)C4)c3)CC2)c1C#N 471966668 PKXJVJZWASRDTG-INIZCTEOSA-N 407.478 1.558 30 10 HDEE COCCCOC1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 480485270 APSGBRHMJZFXKA-QGZVFWFLSA-N 400.435 1.027 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)CC1 481028590 ZLEUPWQOSDOMLC-UHFFFAOYSA-N 422.526 1.403 30 10 HDEE N#Cc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccn1 483058987 UXUKALFDGGSQFG-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488633205 ZKEXNXNMFQMBJC-QGZVFWFLSA-N 410.405 1.562 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 501584025 ZYEVYJJMIQMDAR-INIZCTEOSA-N 422.507 1.490 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCOC[C@@H]2c2noc(COC)n2)c(OC)c1 501951453 GISNZJXWTXJKTR-OAHLLOKOSA-N 403.435 1.932 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 504379271 YVJVDCGUAIMEOH-QGZVFWFLSA-N 408.520 1.796 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 505369525 ZYMCOFYLDCAUHI-INIZCTEOSA-N 414.506 1.537 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(c3ccccc3F)CC2)CC1 506932288 QFUJQFSEDRUDFQ-UHFFFAOYSA-N 408.481 1.563 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2C)CC1 508429441 UMUPGQIHBVYDGA-GOSISDBHSA-N 412.538 1.996 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 508761510 HWXFCWGEASGHGB-UHFFFAOYSA-N 422.331 1.007 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN(c2ccccc2)C1=O 515097021 BLAUQUPRJKZOGM-GOSISDBHSA-N 412.471 1.100 30 10 HDEE CCOCCCNC(=O)C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 533149079 ZXFMGAVWXGYVIB-UHFFFAOYSA-N 407.536 1.587 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 545991645 QJSFQMDJVZSCNX-QUCCMNQESA-N 418.490 1.995 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(OC(F)F)c1 551785894 TXUJIWCYXSKKQK-NSHDSACASA-N 410.402 1.538 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 561006471 BJHMWAOVKCXXNJ-UHFFFAOYSA-N 421.519 1.752 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 565975682 AWLDTZIFZVKCHT-KRWDZBQOSA-N 405.458 1.752 30 10 HDEE COc1cc(CNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)ccc1C#N 576436831 DYCBFWMRRBPYPF-UHFFFAOYSA-N 411.462 1.457 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 580381308 XGVZNCJPCFFJJY-CYBMUJFWSA-N 402.480 1.032 30 10 HDEE N#Cc1cccc(C(=O)NC2CCN(C(=O)N3CCN(c4ncccn4)CC3)CC2)c1 585958407 HFIHITNPSVTTQL-UHFFFAOYSA-N 419.489 1.485 30 10 HDEE CN(C)CCn1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 609604833 KVJIBEGLZRBSEY-QGZVFWFLSA-N 409.450 1.160 30 10 HDEE COc1ccc(CC(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 611086488 XIFCZSVNUJAHQP-OAHLLOKOSA-N 421.519 1.409 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 728990891 UGQKKIPCWNUSKT-UHFFFAOYSA-N 406.391 1.394 30 10 HDEE C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCCC2=O)cc1 732455991 YRXSNFNHHBWVAU-ATQAJOFPSA-N 411.462 1.700 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 734291567 UJCZFNLEDUGFOP-INIZCTEOSA-N 417.512 1.967 30 10 HDEE Cc1cc(N2CC[C@H](ON=C(N)c3ccc(CN4CCOCC4)cc3)C2=O)n(C)n1 742357022 MITNDOGJMXXSMJ-SFHVURJKSA-N 412.494 1.003 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1 747336121 AOQZPYMLRYSVMI-OAQYLSRUSA-N 416.485 1.763 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1C#N 747494478 BSGLAEBZTIDLKO-UHFFFAOYSA-N 417.425 1.786 30 10 HDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCNc2ncccc2C#N)c1 747866665 UCPBVXADMVDZLR-UHFFFAOYSA-N 407.883 1.699 30 10 HDEE CC(C)C[C@H](C=NNC(=S)NCCN1CCOCC1)NC(=O)OC(C)(C)C 749605418 RPAKHVQPFVVFRY-OAHLLOKOSA-N 401.577 1.708 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 751365280 CEEWWFMFYXOMRZ-HNNXBMFYSA-N 403.483 1.390 30 10 HDEE O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 752997528 CLDIMBGRIWJGSF-JVMRMLDLSA-N 418.494 1.953 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763717977 DZLHZCYLRXPSFB-UHFFFAOYSA-N 412.431 1.573 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)Cn1c2c(c3ccccc31)CN(C(C)C)CC2 769665164 QZDTWCPSHRIAOB-UHFFFAOYSA-N 412.490 1.963 30 10 HDEE C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 769812532 GHJVTZKZPAIGLM-ZDUSSCGKSA-N 419.434 1.396 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(=O)O)CCC1 776640676 CEACNNRQSBTDOL-CQSZACIVSA-N 407.492 1.655 30 10 HDEE COC(=O)C(C)(C)N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 778190553 ZPUFUEHIKANQPZ-HNNXBMFYSA-N 411.462 1.081 30 10 HDEE COC(=O)C(C)(C)N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 778190554 ZPUFUEHIKANQPZ-OAHLLOKOSA-N 411.462 1.081 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 780436352 BQZUVCPVCYSKDK-NXVVXOECSA-N 421.498 1.602 30 10 HDEE COc1cc(Br)c(F)cc1S(=O)(=O)NC(=O)c1cc(C#N)cn1C 780652775 SSIUINCIXBIFTM-UHFFFAOYSA-N 416.228 1.926 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1Cc1ccon1 783957448 MGQUKWUGIYNXAQ-UHFFFAOYSA-N 406.452 1.220 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)CCCC1 786297357 PUCLEFNDHYKWNR-HXUWFJFHSA-N 415.494 1.431 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(-c3ncccc3C#N)c2)n1 788671235 ZFWOSSFNKRUDSU-UHFFFAOYSA-N 404.434 1.649 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C)CCC3)n1 788695074 CISQDXAXGIIYHJ-UHFFFAOYSA-N 402.520 1.736 30 10 HDEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)c1ccc(F)cc1 794893120 AMICTYADOLLPRQ-JVPBZIDWSA-N 404.463 1.653 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCn2cnc(C#N)n2)C1=O 795176656 JVKVQAZLIUZABS-ZDUSSCGKSA-N 401.427 1.057 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2c(Cl)cnn2C)c1 797430126 PGDXEQDRHSFFDF-UHFFFAOYSA-N 422.894 1.109 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3cnccc3C#N)CC2)nc(C(C)C)n1 805717734 VSYXCJFCHQRFHA-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 809973732 ZDXKRSTXNJAJPV-FQEVSTJZSA-N 422.526 1.604 30 10 HDEE C#C[C@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 810190853 APIUEKAYOYCDQG-KRWDZBQOSA-N 401.854 1.891 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccc(F)cc3)n[nH]2)cn1 1084623927 DPWFTUSVQUKIFV-UHFFFAOYSA-N 418.458 1.964 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2nnnc2-c2ccccc2)CC1 1135762800 SDQSIAJOTPSQDA-IBGZPJMESA-N 405.437 1.888 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)c1 1137161207 RJWHJAKLDNMZOS-QGZVFWFLSA-N 419.890 1.598 30 10 HDEE Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1147764647 QEWNTRSMYVSXJU-KDOFPFPSSA-N 404.467 1.998 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3nc(O)sc3c2)n1 1189897476 VAGPHLLKBVEGOM-UHFFFAOYSA-N 406.489 1.669 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OC 1191201673 OTYZAPIZTIFAKV-NSHDSACASA-N 422.228 1.218 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1 1210598215 WIQYWLIIUHVMFJ-ZDUSSCGKSA-N 404.471 1.972 30 10 HDEE C=CCn1cc(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)nn1 1212242272 XSLVQXBTIRICMA-SFHVURJKSA-N 419.507 1.685 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1225936105 DBEMMEKMGSTQEQ-PWSUYJOCSA-N 416.404 1.997 30 10 HDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1251286519 HEWDVPLGOYCKCI-HUUCEWRRSA-N 413.540 1.464 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1286281633 IRAGWUMUEAPINC-INIZCTEOSA-N 422.493 1.310 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCCCC1 1286398102 SRRIAAHUWRVOSH-INIZCTEOSA-N 407.540 1.310 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1286440975 OMAWKRMPDRDRIE-VQIMIIECSA-N 406.494 1.931 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cn1 1286457992 ZPPOHIGUDBLTAZ-OAQYLSRUSA-N 417.485 1.987 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(OC)CCCC1 1286461565 UFBDNWAKNNLYIE-UHFFFAOYSA-N 412.494 1.971 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286699303 BYCCADLHBCRUNZ-DOTOQJQBSA-N 404.540 1.323 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286789409 RZECZHFEMMDAGR-SFHVURJKSA-N 420.521 1.813 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N(CCC#N)CC2CC2)CC1 1286890534 SCQGIQDAHPOWAP-LJQANCHMSA-N 415.542 1.424 30 10 HDEE C[C@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1289511939 WPQVECBFFKJZEX-BIENJYKASA-N 421.906 1.458 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1nccc(C(F)F)n1 1290857477 ASKKNHCXFIABAM-UHFFFAOYSA-N 411.420 1.956 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1290865728 WAROWJZEPFWSDP-UHFFFAOYSA-N 404.478 1.235 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCCOC1 1291598196 ZIGWBCGTJNFNPI-APWZRJJASA-N 407.492 1.080 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nc(Br)sc1Cl 1293033144 UHTYLEASMANQGT-JXMROGBWSA-N 405.661 1.815 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 1298075649 LAODXUPODVVEJE-JXFKEZNVSA-N 416.499 1.351 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)c1 1299935159 CEZIOQDLEOBUKP-MRXNPFEDSA-N 410.478 1.981 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nnn(C)n2)cc1 1300118515 AIUAFEDITRYEME-LJQANCHMSA-N 411.445 1.086 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1300497532 ZTMUWPCJSVNOQZ-ULQDDVLXSA-N 409.556 1.097 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1 1300671825 QMBMLDDOAXQMSM-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)C)CC1 1300873614 KQFCGCUQUOUCAK-ROUUACIJSA-N 404.559 1.928 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1301136927 IEOVJHOEUVBPSJ-UHFFFAOYSA-N 418.523 1.763 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCC2)CC1 1301507331 ZMOZDJHJUHUXDP-UHFFFAOYSA-N 424.549 1.854 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1301806263 AKQGWKOIWKYJPG-OAHLLOKOSA-N 422.555 1.508 30 10 HDEE COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1301862464 HTHOVSVCUPCWCR-DLBZAZTESA-N 411.510 1.497 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@@H]1OC 1302030727 UIYUKHQXJMVDGA-DRMAHVMPSA-N 411.478 1.496 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(C#N)o1 1303820803 RJTUMZIYDVTUDK-ZDUSSCGKSA-N 424.527 1.653 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(F)(F)F 1303846922 HICKRNJPRPFPFC-ZCFIWIBFSA-N 420.232 1.750 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCS(=O)(=O)C(C)(C)C 1304851180 BYJBIRKHRLNHPC-UHFFFAOYSA-N 417.539 1.393 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305772414 WXYRESQCFXPJQG-FBMGVBCBSA-N 415.498 1.323 30 10 HDEE COc1ccc(C#N)cc1CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1307871426 CDQQODUZIIWVJW-UHFFFAOYSA-N 404.448 1.885 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1 1309654736 NSSTUUJWPNIBNI-UHFFFAOYSA-N 422.503 1.125 30 10 HDEE COC1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1312782088 DEBYAYCUFRCGNH-UHFFFAOYSA-N 406.508 1.533 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1313290941 HAWZNFBPQYTCFH-RBUKOAKNSA-N 419.570 1.421 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1316099255 VJNNGTFDIGFUKS-OAQYLSRUSA-N 407.478 1.662 30 10 HDEE CO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316324501 AIUPSGIPABGWNX-LZODEBLQSA-N 416.482 1.271 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1 1319488916 HTNLMDSGLJLVQO-VQTJNVASSA-N 415.490 1.912 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1 1337722167 VOPGNRLGYKSOBG-INIZCTEOSA-N 401.492 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1358869909 ADOCFYGCQWKSMH-CQSZACIVSA-N 423.502 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1358871509 GNWKUBLBAYWZJT-GVDBMIGSSA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358941753 WNYSTSXKAROCBS-FQEVSTJZSA-N 424.549 1.966 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358960939 OUDCGKCNZYOVCZ-IAGOWNOFSA-N 417.535 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1 1359298790 MCMUBNSISUUFEN-UHFFFAOYSA-N 408.462 1.944 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359302848 VPBQLCUBWSAVTD-QGZVFWFLSA-N 423.521 1.680 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1437714503 KOZRQSBQZDIFHE-ZDUSSCGKSA-N 412.251 1.767 30 10 HDEE CCC[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1CCOC 1446355234 XWNFWJDYJIAPDZ-HNNXBMFYSA-N 411.499 1.696 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC[C@@]3(O)CCCOC3)C2)C1 1452756007 LUDQJCLSOFQEBW-CMZAIVPFSA-N 407.511 1.821 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccncc1)C1(CO)CCC1 1454042873 OIMFECKTHYRVLC-SFHVURJKSA-N 414.487 1.140 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(c2ncc(C#N)cc2Br)CC1 1458218883 GFGWJUCFFOGOKN-UHFFFAOYSA-N 417.329 1.593 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)S(=O)(=O)C1CCOCC1 1461099033 GXTUEKYIZNAWEO-SECBINFHSA-N 402.270 1.637 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464920696 AONLCPONFBEAPD-YPKPFQOOSA-N 402.398 1.179 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC(NC(=O)COC)CC2)c(C#N)cn1CC 1466880567 GQALUXQCXHUVIU-UHFFFAOYSA-N 405.455 1.315 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)NCc3ccc(C(=O)NO)cc3)cc2S1(=O)=O 1467528061 MTAIKZSMBCHLCL-UHFFFAOYSA-N 417.443 1.289 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 1468526180 LUBFROZKHKEXQY-PZJWPPBQSA-N 416.474 1.800 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@](C)(CO)c1cccc(Br)c1 1469510322 VFTKBQXJMLDNTB-HNNXBMFYSA-N 405.314 1.557 30 10 HDEE Cc1c(C(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)cnn1CCC#N 1470456026 KUZPNYLHAHOKTO-GOSISDBHSA-N 402.476 1.722 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c1 1470854339 WJJTVNXJFHCXFS-PBHICJAKSA-N 421.519 1.726 30 10 HDEE C#CCN(C(=O)Cn1cc(C(=O)OC)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881723 PFTCNHVNRFOUGF-UHFFFAOYSA-N 404.467 1.531 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c1 1478816788 ZIXVUSGFSPXUDW-SFHVURJKSA-N 403.438 1.875 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1502416935 BATGSTXNXSOWLU-RHSMWYFYSA-N 409.494 1.623 30 10 HDEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1504609174 NHQCIAMYORNFTF-KRWDZBQOSA-N 400.458 1.893 30 10 HDEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1504792434 GOHSNIXVAOFJFH-UHFFFAOYSA-N 412.494 1.872 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCCn2ccnc21 1504886207 DSROZXAYLHCBCV-MRXNPFEDSA-N 407.482 1.876 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCS(=O)(=O)NC(C)C 1507540588 FNBRGKJOXHIPIG-KRWDZBQOSA-N 403.552 1.849 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1507540622 HUCBADRXQIYKKQ-MRXNPFEDSA-N 418.505 1.982 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1C 1507564574 SLLDQURAOGKFBL-BBWFWOEESA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634633 OHELWUFVAQURSI-FUHWJXTLSA-N 407.584 1.586 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NCC 1507661549 ZAYLGYGWGUQZTG-JOCHJYFZSA-N 415.538 1.555 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(=O)N1 1507702336 JBIOGQRVXGRABC-GOSISDBHSA-N 424.505 1.512 30 10 HDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836781 ZUVNGVPTSOUYKY-HXUWFJFHSA-N 401.515 1.566 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507840551 QWLJIVKHGIPXHG-FQEVSTJZSA-N 419.551 1.891 30 10 HDEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507867756 BVSZETFCLFYSNP-UHFFFAOYSA-N 410.950 1.792 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCc2nccn2C1 1508036378 NPYXOMAFCBDBKJ-INIZCTEOSA-N 401.515 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1508079453 WHDKNGHIMQUKSA-UHFFFAOYSA-N 410.478 1.067 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2C)C1 1508087229 OFQZLSJSRQHOLE-MSOLQXFVSA-N 424.505 1.418 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1508167313 HPDKMWBSMCFTLI-FXAWDEMLSA-N 423.583 1.954 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(-n2cncn2)nc1 1508420834 AEFWMRMSAFJNFK-MRXNPFEDSA-N 414.477 1.884 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1511972744 SRKLDDPAOQRCBP-AWEZNQCLSA-N 401.430 1.997 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1513502067 VHIAYEGMJWHQHL-GOSISDBHSA-N 424.505 1.965 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C1=O 1517403295 YYWZYDQJYFCPKU-RTWAWAEBSA-N 422.493 1.534 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538992011 JARIREAYXUWYRF-HOTGVXAUSA-N 417.535 1.693 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](COC(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539141518 VHFZBXRQKDTXTC-WIYYLYMNSA-N 406.527 1.974 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1539223046 YXKBGDUZHKGSSR-QGZVFWFLSA-N 421.567 1.479 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCSC1 1539238414 WKXUORKAKRXLKK-UXHICEINSA-N 404.536 1.260 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC(F)(F)CO1 1539422696 HXZBLRWLDCFZOH-JYJNAYRXSA-N 414.453 1.512 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1539505643 ZRQQUFZZSYRFNW-UHFFFAOYSA-N 416.551 1.471 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1539751473 NYOUOZGPAYSLAS-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540033316 DXKYMRYGQVCYSN-PXNSSMCTSA-N 416.570 1.737 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1540063964 HKJBDEJNTKEBBV-UHFFFAOYSA-N 405.466 1.474 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(OC)cc1 1540869434 MVCMPAUBVCZPQY-KRWDZBQOSA-N 412.494 1.567 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)N2CCOCC2)CCOC1 1541104856 BKQDSUUQDGSBFV-LVCYWYKZSA-N 420.558 1.635 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1544400405 BDOYZRQFZYVWAA-MUXVIGPSSA-N 414.510 1.791 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1546284297 QGCWZBUBNACPHF-CQSZACIVSA-N 400.435 1.184 30 10 HDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1546600907 SOUGHVCUBUKPET-SIRIWSTISA-N 424.509 1.830 30 10 HDEE CCN(Cc1ccc2c(c1)OCO2)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1547513852 YUHJZMYHPQBXED-FMQUCBEESA-N 424.461 1.868 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(N)=O)c2)CCO1 1555993449 OKSAFSWGVGOTNE-MRXNPFEDSA-N 423.864 1.869 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 1558264775 ZOPZEMILHCSWGO-DZGCQCFKSA-N 404.410 1.828 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)Cn3cc(Br)c(O)nc3=O)CCO2)cc1 1558604230 KNMVGDNQABGRLF-AWEZNQCLSA-N 419.235 1.183 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@](O)(C3CC3)C2)CC1 1559987080 DBQNQFXLFPHRTN-IFMALSPDSA-N 400.498 1.771 30 10 HDEE CCOC(=O)[C@@]1(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCCOC1 1587302981 NANRCOKRNLGOQZ-IIBYNOLFSA-N 403.454 2.000 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1588029180 DUXLQQDQJLCCMG-AWEZNQCLSA-N 406.512 1.216 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1588174164 RDBCOTQFFVPYHY-UHFFFAOYSA-N 418.501 1.213 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1593741613 SZAUNJWIKVDTPP-IAGOWNOFSA-N 418.542 1.515 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C)C1CC1 1595021117 UHOZELSJQMGMDO-ZDUSSCGKSA-N 412.560 1.348 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1595195878 CFACXNORPMPCKO-FQEVSTJZSA-N 402.520 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1595544962 OMBXEHBMPCPGJA-MRXNPFEDSA-N 416.526 1.271 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC)C1 1595738725 UHALPSLDGAHIDK-QGZVFWFLSA-N 409.494 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CCC 1595798904 VIKXYUGPRLJHGC-GJZGRUSLSA-N 418.585 1.406 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@H](CC#N)C(F)(F)F 1596784301 YOOKMFYDQUBEKC-VXGBXAGGSA-N 406.405 1.853 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 1613451732 AEBOVYYZCNTAKQ-OAHLLOKOSA-N 403.435 1.675 30 10 HDEE CCOC(=O)C[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1616144977 JNASWKGOAYYLDH-AWEZNQCLSA-N 409.508 1.743 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1617635395 CTORSIMYVBXZCM-BHYGNILZSA-N 402.524 1.875 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@H](C)C#N 1618839792 FYENEFNFVCQGMD-CYBMUJFWSA-N 402.480 1.836 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(O)(C3(C(=O)OC)CCC3)CC2)c1 1620647674 AJBUUEBSPFEMAY-UHFFFAOYSA-N 413.474 1.486 30 10 HDEE COC(=O)c1ccc2c(c1)OCCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 1620659371 QFTGUAXOHYJHDT-IBGZPJMESA-N 414.506 1.360 30 10 HDEE C=CCC1(CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCCC1 1623973673 KDOMXPJEIQXQQY-UHFFFAOYSA-N 413.565 1.915 30 10 HDEE C[C@]1(CCCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)NC(=O)NC1=O 1627769632 RUNDMDWWIDCWSN-JOCHJYFZSA-N 420.473 1.523 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1628796567 GOTNGONRBPUVRC-IAGOWNOFSA-N 417.510 1.778 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@H](NS(C)(=O)=O)C2)s1 1628917632 KZQBDHGYPKYZRY-NSHDSACASA-N 409.986 1.989 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(Cl)cn1 1628964734 CSQAQJPYLXSCSN-HNNXBMFYSA-N 418.906 1.989 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCO1 1629586728 DVSOIQYKSPDOJM-LSDHHAIUSA-N 411.503 1.120 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCC(CO)CC2)cc1 1630386266 QSXODZAGJHVHRX-UZYVYHOESA-N 408.524 1.142 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccccc2OC)c1 1630962022 AXIILRKLFXFKBJ-NRFANRHFSA-N 418.515 1.883 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N(C)C)cc2C(N)=O)s1 1632034508 HAJSLBPHKNPIES-UHFFFAOYSA-N 422.532 1.559 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1632035626 WYJSWBGMQLNHDC-MSOLQXFVSA-N 406.891 1.860 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 1632880599 UZKFZQZUMYHANY-DCOQFNDQSA-N 406.801 1.615 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](OCCO)C2)C1 1632987402 AUMWZMNJBMLRFR-MRXNPFEDSA-N 408.296 1.757 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)nc1=N 1633669096 CDGDAUOOVGKDPY-ZIAGYGMSSA-N 405.503 1.868 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C1 1634554706 GWGVUXRUHFEORT-SJORKVTESA-N 406.552 1.273 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 1635118354 IUCSVQSWYXVSOE-UHFFFAOYSA-N 414.441 1.050 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCN1C(=O)c1cscn1 1637346577 RDRXBRQCOQMLGM-ZDUSSCGKSA-N 421.486 1.769 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1637678480 LMKNLCZFDMBIDU-NSHDSACASA-N 418.313 1.868 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638555315 KWAKQDRHNUSYDC-CVEARBPZSA-N 423.510 1.393 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4cc(Cl)nnc4C3)C2=O)cc1 1639963638 PEKIDTNDTVQMTD-HNNXBMFYSA-N 424.848 1.792 30 10 HDEE C#C[C@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)c1ccc(Br)cc1 1641518083 SJEBWUBYGWAWJR-AWEZNQCLSA-N 423.292 1.384 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1642103393 XSYHOYQNOMEMQJ-IAGOWNOFSA-N 401.825 1.944 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)C1 1644638669 WZYOVABDOJVITR-SJLPKXTDSA-N 403.548 1.761 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@@H](CC#N)C(F)(F)F 1645010500 XKGRIQDRFYDUFX-HNNXBMFYSA-N 420.457 1.799 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CCO2 1646525370 BAANLINMTLEFBR-MOPGFXCFSA-N 407.492 1.603 30 10 HDEE CN(C[C@@H](O)c1cccnc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1648501296 CWBMJUHIVTWBBJ-QZTJIDSGSA-N 407.430 1.350 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cnc4n3CCOC4)C2)C1 1653432901 CGEYLDARPNYKPF-FAGJFJLWSA-N 415.494 1.816 30 10 HDEE C#CCN(CC(=O)Nc1cc(-n2nnnc2C)ccc1F)CC(=O)OC(C)(C)C 1654152977 SENCAGXCYXQYPG-UHFFFAOYSA-N 402.430 1.325 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](O)C(F)(F)C2)CC1 1654177712 IUDCGOJEJGQUNV-HNNXBMFYSA-N 421.404 1.157 30 10 HDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(C)c(C)c1 1654668104 AEMOQVFTMUUBFL-FPOVZHCZSA-N 400.523 1.800 30 10 HDEE CN(C)C(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1654912149 KKGXMFRIUVDBCU-DLBZAZTESA-N 403.552 1.257 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@@H](CS(C)(=O)=O)C1 1655740657 ZLTANQBZYVSJIZ-LSDHHAIUSA-N 411.549 1.765 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3ccc(Cl)cc3S2(=O)=O)c1 1656549896 MTTNUAHSAYWINR-UHFFFAOYSA-N 417.830 1.814 30 10 HDEE CN1CCCC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O 1659694436 JDARBDOFEDETRV-PMACEKPBSA-N 415.513 1.477 30 10 HDEE C#C[C@H](CO)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1662180789 CCNYJLGXRCJMCB-QHAWAJNXSA-N 402.491 1.707 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)C1 1666153877 ABXCHWNEXPMTQT-XLIONFOSSA-N 411.506 1.924 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2)C(=O)OC 1668852585 TXCGSFMGTOZRFD-INIZCTEOSA-N 408.476 1.008 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cccc2c(C(=O)OC)cccc12)C(=O)OC 1668852752 ZGPSWIITJMJKJY-MRXNPFEDSA-N 407.444 1.649 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)C1 1671170637 PCRDBKDJFRZXJK-OAHLLOKOSA-N 409.508 1.334 30 10 HDEE C=CCCN(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683684415 VWCGDBOEHDBWAP-UHFFFAOYSA-N 410.540 1.365 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1689826803 VACYLVGQAGWCNO-CVEARBPZSA-N 410.588 1.611 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689930086 KKXMTNHJQKRJDO-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1689972319 LHKZFVFSLJUUNR-UHFFFAOYSA-N 406.534 1.569 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689985809 BZXJVSPBDDHJOJ-OAHLLOKOSA-N 405.524 1.451 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1690038642 YIROIVOTADFART-UHFFFAOYSA-N 416.503 1.249 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2cccn2)cc1 1690102435 KYKGODACSDWOCI-LJQANCHMSA-N 419.489 1.549 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690161961 WUJXAUZFOROQCA-OAQYLSRUSA-N 406.515 1.900 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](C)C1 1690170746 PDAMFADKUMHVCH-KBPBESRZSA-N 403.508 1.986 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690372429 MVMRXSLUNPDWGZ-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1690510857 GZRMXVKFVHRDLM-UHFFFAOYSA-N 403.458 1.915 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1690538445 IPLRGVRZTHIADM-IBGZPJMESA-N 410.540 1.662 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690661626 BDJOMTAXTFANJZ-GDBMZVCRSA-N 414.897 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1690727254 YJGQPJAQIFDSPB-SFHVURJKSA-N 404.471 1.307 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1nnc2n1CCCCC2 1698063232 QZMBRHGSOQVMRA-MRXNPFEDSA-N 414.514 1.862 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705551711 CSTFSQHPYYOCMI-MSOLQXFVSA-N 402.543 1.184 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705581371 ZXEOFXVBFGSOOJ-HKUYNNGSSA-N 416.485 1.355 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705702088 FEFUQZPDUYUJAO-NXHRZFHOSA-N 414.510 1.216 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)CC1 1705767948 UYKDAFVFLGGFMK-UHFFFAOYSA-N 407.496 1.597 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)NC)CC1 1705899679 CLCUKZXGPRIKJU-UHFFFAOYSA-N 412.494 1.218 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1705922274 JNYUIQRMYQVNFF-LSDHHAIUSA-N 414.466 1.034 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CC2)C1 1705925017 JPRGEEHLJUVVFD-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705944075 UPFDQZBHRQQBQN-IAGOWNOFSA-N 420.583 1.449 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1711774412 FFGJGCXAOGIVEP-MRXNPFEDSA-N 417.491 1.260 30 10 HDEE COCCN(C)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1712416812 HNFPKWXVOYABFJ-UHFFFAOYSA-N 403.531 1.222 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722275366 DHXXOKPCSGELRB-HZPDHXFCSA-N 405.524 1.734 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722286505 CYSRKHKCOMMGSY-OAHLLOKOSA-N 417.473 1.061 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722336902 RURGZOUHFOMHKN-SFHVURJKSA-N 424.505 1.815 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCn1cc(CO)nn1 1722349341 JSZCSMNOZGZURQ-UHFFFAOYSA-N 402.462 1.737 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722366150 GBIXNSDXONLNNQ-OLZOCXBDSA-N 406.430 1.709 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722403787 DUCSZYIYAAIZCV-UHFFFAOYSA-N 422.938 1.998 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C1CC1 1722407361 IZSHUAOWNCRNBA-INIZCTEOSA-N 405.510 1.863 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCN1CCCO[C@H](C)C1 1722429296 PMOWRMCUNLZQKU-MOPGFXCFSA-N 405.543 1.369 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@@H](C)C1 1722449927 VLNBZSPLGGZGKQ-JKSUJKDBSA-N 415.494 1.907 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722452889 MAZAOSIJYHSOGJ-DLBZAZTESA-N 404.584 1.799 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722581396 UWETUWYFWDXHPP-SQNIBIBYSA-N 424.567 1.839 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722698514 GONRWTUGQHPLME-GJZGRUSLSA-N 401.471 1.160 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(OC)cc1 1722701736 BMXWECRFOJTSQT-UHFFFAOYSA-N 412.494 1.348 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)C[C@@H]1CCCO1 1722727540 MLFWBJVQCCDLGX-INIZCTEOSA-N 408.528 1.285 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1728655391 CQXXTMKHUNMLAN-FOIQADDNSA-N 404.490 1.920 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCOCC1 1730845833 XMLOGHTVEFIRSX-CRAIPNDOSA-N 411.478 1.376 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1CCN(C(C)=O)CC1 1740685945 BEVGQHQTKZVJFX-UHFFFAOYSA-N 410.522 1.608 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CC1 1740722862 HGAXZUKPIKEEAH-LJQANCHMSA-N 421.567 1.766 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740839487 KEGBGFBJGOOQMZ-IGGDJGDASA-N 412.494 1.711 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1cccs1 1740958101 IIBMEGHDDLUZNS-ZBFHGGJFSA-N 414.535 1.804 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCS(=O)(=O)CC2)cc1 1740967289 BUFHNHKOCWBHKC-UHFFFAOYSA-N 406.508 1.663 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1748740511 PSOQRXCYOCCCKS-HNNXBMFYSA-N 418.519 1.999 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1748765743 SGPPOYMJSXQZHI-QGZVFWFLSA-N 409.494 1.364 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCCNC(C)=O 1748785045 LEHSOFYITHEBIJ-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748808624 MIQVQXXOKDADFF-MRXNPFEDSA-N 406.508 1.636 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1748906831 YVYDVRNJAPUPGL-UHFFFAOYSA-N 424.553 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=C)C 1748951190 UYGVWFKQYBFGKT-UHFFFAOYSA-N 417.535 1.858 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2cccc(C)n2)CC1 1749019295 RUEHPQDWGKADCY-UHFFFAOYSA-N 410.522 1.727 30 10 HDEE COc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1749068559 BIKUQWUBIYFWPF-KXBFYZLASA-N 419.482 1.679 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCS(C)(=O)=O 1749127540 NBJXBRYJQFGYPX-RDJZCZTQSA-N 422.555 1.531 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1cc[nH]n1 1749499582 IXGOWTIVPVDSEU-UHFFFAOYSA-N 414.495 1.045 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1749506623 QRMZVMKLCJRNFX-GOSISDBHSA-N 404.559 1.928 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CCN1CCN(C(C)=O)CC1 1749528392 NYBWAZQLSMIFKW-UHFFFAOYSA-N 412.538 1.952 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C)C1=O 1749592539 PEVDNZKHXFDLDQ-FQEVSTJZSA-N 414.466 1.970 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749664408 MSNPQFXYUIRELI-INIZCTEOSA-N 414.510 1.360 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CC(C)C)C1 1749731680 ILNTVXCTFWAKIH-CVEARBPZSA-N 409.556 1.702 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749754259 INMZBOWVJVQRDI-MRXNPFEDSA-N 420.583 1.843 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)CN2CCOCC2)n1 1751837774 FXEULHVVKMYGPH-DLBZAZTESA-N 414.558 1.704 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1752270309 CKAFNGXGCMLPLC-MMEWPQADSA-N 412.519 1.395 30 10 HDEE C#CCCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1760159678 MNMIUOAIVMONMM-DYESRHJHSA-N 403.527 1.789 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1760218574 JMQAEIGICATEIZ-UHFFFAOYSA-N 420.521 1.051 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(OC)CCOC1 1760221211 NVUGSYSJKONGOX-HSZRJFAPSA-N 418.501 1.785 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1760228104 VMQMQGMXVMCQAC-OAQYLSRUSA-N 403.527 1.824 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1760244718 FBIQVVSYXWJIHW-SFHVURJKSA-N 411.506 1.954 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)C2CC2)CC1 1760269276 DETVGFQUJJNUCA-AVRDEDQJSA-N 415.538 1.647 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1760293985 KGYYMMZBSQLEFY-IIBYNOLFSA-N 412.538 1.870 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)CC1 1760389162 DXMLONNEWRGLBT-LBPRGKRZSA-N 409.434 1.330 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCS(=O)(=O)CC2)C1 1760545688 ZPXJIRKUBOBWNP-QGZVFWFLSA-N 420.539 1.285 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1764878358 GDXXWPRROUVNRR-HZPDHXFCSA-N 424.571 1.425 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](COC)OC 1767571307 GCFLUTBDMYZWLA-RHSMWYFYSA-N 400.483 1.296 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1768173699 OKDBEECMGUJLJK-UHFFFAOYSA-N 421.509 1.152 30 10 HDEE CC(C)c1noc(-c2ccn3c(CC(=O)N4CCN(CCC#N)CC4)nnc3c2)n1 1848453741 GPPWEHUNCDGHDV-UHFFFAOYSA-N 408.466 1.503 30 10 HDEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)CCOc3ccccc3)CC2)CC1 1848923164 NXHJIBFMKBCYQV-UHFFFAOYSA-N 405.520 1.869 30 10 HDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)NCC#CCN3CCCCCC3)cnc21 1850281711 VGUOHBQUPIIBAD-UHFFFAOYSA-N 412.538 1.734 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3F)cc2)CC1 1851284195 DQFMNSLMGIRSCP-UHFFFAOYSA-N 402.451 1.886 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)CC2=O)cn1 1851850857 HDTCAKUBVZHQPY-QGZVFWFLSA-N 401.430 1.668 30 10 HDEE CN1CC[C@@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)C1 1852181728 NKGZONSKDVVRDT-SECBINFHSA-N 407.215 1.996 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@H](C)NCc3nc(-c4cnn(C)c4)no3)C2)CC1 1853573412 UPQJXXROJYNEDU-GJZGRUSLSA-N 420.539 1.709 30 10 HDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCN(C)C)cc1 1853602545 IYUQBRDMLGSVAB-UHFFFAOYSA-N 416.503 1.708 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ncn3c2CCCC3)C1=O 1854082830 WIDWBQSFMBIVQU-MSOLQXFVSA-N 413.522 1.459 30 10 HDEE Cc1ncccc1C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854366473 IVXIUWGDMADJCN-SFHVURJKSA-N 405.462 1.004 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854402032 WZMAASFQHTWZKN-UHFFFAOYSA-N 419.503 1.926 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517918 XHUFIEYERKJEQL-INIZCTEOSA-N 419.503 1.656 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636570 GMVHTAJZQKZIMY-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(Cl)n2)CCN1S(=O)(=O)c1ccccc1C#N 1855722558 ATWVCOREMYSACC-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE Cc1nc([C@H]2CC(F)(F)CN2C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)no1 1855977773 JVKWMQSQGAQVGY-SWLSCSKDSA-N 416.388 1.716 30 10 HDEE Cc1ccnc(C)c1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856379134 OSFNCVZMMUPYRI-INIZCTEOSA-N 405.458 1.717 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)CC3CCC(=O)CC3)C2)C1 1856386580 PJGBHCOSQTXKPJ-INIZCTEOSA-N 410.474 1.541 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)c4cnccn4)C3)CC2)cc1 1856622240 UBJFSRNTOCROSG-QGZVFWFLSA-N 405.458 1.880 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(CCN4CCOCC4)CC3)CC2=O)cc1 1857026331 JWNSTWZWVHJUGC-OAQYLSRUSA-N 410.518 1.591 30 10 HDEE Cc1ccc(=O)n([C@@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)n1 1857167472 VGNWWQNIKRAVSA-INIZCTEOSA-N 407.474 1.634 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2noc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857271004 XHYAEBGDXWKJPP-YJBOKZPZSA-N 410.474 1.464 30 10 HDEE Cc1ccccc1CS(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 1858325161 ZXYFANOJIRBFQJ-GOSISDBHSA-N 419.528 1.749 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCCC2=O)=C(c2cc(OC)ccc2OC)C1=O 1863717568 RPQHJEQXDRYYMU-UHFFFAOYSA-N 413.474 1.572 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)c1 1866885009 BUMIVDZAWAIMIS-MRXNPFEDSA-N 421.862 1.101 30 10 HDEE COc1ccccc1NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870100035 MSVSGTZLMAOLAR-UHFFFAOYSA-N 415.413 1.555 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871498590 WDVINXMZJGIZGG-UHFFFAOYSA-N 421.427 1.777 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 1889374502 PTGKLUSMWIEYCO-QFIPXVFZSA-N 413.518 1.085 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](O)CCNC(=O)OC(C)(C)C 1900101600 DCEQBKCRCDZDQI-CQSZACIVSA-N 401.504 1.849 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC(O)C1 1964922300 GFWLKTWDHQJQKX-LYGNXSNRSA-N 414.506 1.641 30 10 HDEE COC[C@]1(C(=O)NCB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)CCO1 1985102970 OIRCRQKADQOTKD-IBGZPJMESA-N 414.308 1.387 30 10 HDEE C=C(CNC(=O)[C@@H]1C[C@@H](O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991972028 ZSNPOUTVLSBWMM-HUUCEWRRSA-N 410.320 1.908 30 10 HDEE CC1(C)OB([C@@H]2[C@@H]3CN(C(=O)CS[C@@H]4CCS(=O)(=O)C4)C[C@@H]32)OC1(C)C 2163718829 PRZREVQUZKSHAX-GUIRCDHDSA-N 401.359 1.457 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174772803 LSTNSORMOFSQSA-JKSUJKDBSA-N 400.545 1.635 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174777049 DTRNMPCLANNSLQ-CABCVRRESA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNS(=O)(=O)c2ccc(C#N)s2)C1 2182451454 TVWURHBZKQCTGX-MRXNPFEDSA-N 419.500 1.874 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)C1 2193223559 FPKUKLBGGJGAJN-HRCADAONSA-N 402.442 1.729 30 10 HDEE N#Cc1ccc(Br)cc1OC[C@](N)(C(N)=O)C1(Br)CC1 2206636199 SAZJUHSUUGNXOE-ZDUSSCGKSA-N 403.074 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CBr)[C@@H](O)C(F)(F)F 2244542764 BURMITIBYUCVKB-DTWKUNHWSA-N 403.195 1.665 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)NCCC#CBr 2250001347 VHFSFVSOYZRKTQ-LBPRGKRZSA-N 423.329 1.273 30 10 HDEE CN(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332296 YWLBQCUCVNKOPX-XBXGTLAGSA-N 400.375 1.666 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(C)CCCS1 2282336560 ADVBGHBCSJURMP-INIZCTEOSA-N 401.363 1.283 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)N(C)C 2282413383 DDBMZDUZAHQVMS-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2(CN)CCCCC2)OC1(C)C 2282423270 MCTPVWYQCLTRLE-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCCC[C@@H](N)C2)OC1(C)C 2282489211 DCMBNVJMXGPZGY-CYBMUJFWSA-N 400.375 1.939 30 10 HDEE C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282828349 MRMZPRSLDZPGIX-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]1O 2282831003 CXTAPEAIUNLCCB-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCP(C)(C)=O 2282877149 NNBCYUSMVSLGPR-UHFFFAOYSA-N 403.246 1.853 30 10 HDEE CCN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)C1 2282880356 IBRPTDVDTAZQLW-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCS[C@H](C(=O)O)C3)c2)OC1(C)C 2284411520 LIPADQVWKBKMDR-NSHDSACASA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@]3(C)C(=O)O)c2)OC1(C)C 2284417058 GIICZHXYENEROL-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(C(F)(F)F)cc1 2330743640 GTKAYNZMOIHXNJ-UHFFFAOYSA-N 400.386 1.393 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783299 GJSTUAFFKMBKNY-ARFHVFGLSA-N 400.541 1.556 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)COCC1(C)C 2367789560 RUFSVANQQCMTPA-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE CO[C@@H]1C[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367804804 WUSSSWLFMMQRLR-XHSDSOJGSA-N 400.541 1.556 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819568 YEXSHBYTVBKEBH-DKSSEZFCSA-N 400.541 1.340 30 10 HDEE C[C@H](NC(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2369900308 FNXORXCXMFYTAV-SECBINFHSA-N 422.765 1.891 30 10 HDEE C[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 5801924 BVFFYSAVNCCQBF-SNVBAGLBSA-N 403.254 1.539 30 10 HDEE N#CCCn1cc(/C=C/C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c2ccccc21 46042454 GARSRKZBHMVMAW-RMKNXTFCSA-N 419.485 1.518 30 10 HDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 71530647 VELHCACSCCPQPC-LLVKDONJSA-N 415.518 1.872 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2)[C@@H](C#N)C(=O)N3)CC1 72444570 OGERAPIVZCQTBT-HZPDHXFCSA-N 421.457 1.773 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)CC1 111224037 LEFFIQPIYKXAOT-ZGBFETHSSA-N 416.547 1.932 30 10 HDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5ccc(C#N)cc5)CC4=O)nc3c2)CC1 170178912 HRBQIINERLLOJT-UHFFFAOYSA-N 413.485 1.903 30 10 HDEE Cc1cccc(-n2nc(C(=O)Nc3c(C#N)cnn3-c3ccccn3)c(O)cc2=O)c1 170585259 MCZPQJMECCMURU-UHFFFAOYSA-N 413.397 1.951 30 10 HDEE CC(=O)N1CCC(CCS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 208044903 JIIPTNYBZSCBIM-UHFFFAOYSA-N 423.344 1.198 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 254609109 XDTGBRSBDMCCIP-STQMWFEESA-N 418.443 1.821 30 10 HDEE O=C(O)COc1cccc(C=NNc2nc(N3CCCC3)nc(N3CCCC3)n2)c1 254908914 XBXPSTUCTUEWIK-UHFFFAOYSA-N 411.466 1.981 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 301440308 XWDXGEFPFNVQHF-UHFFFAOYSA-N 422.869 1.961 30 10 HDEE C=CC[C@@H](CO)NC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 410073256 DHICABNDHCANTM-HNNXBMFYSA-N 418.519 1.209 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)C2)nc1 428805847 PFLYHMMWLWDSLJ-HXUWFJFHSA-N 402.458 1.908 30 10 HDEE COCCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 433087985 KPKGKSUBQPYWES-CYBMUJFWSA-N 402.314 1.710 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 434389241 HFWMPGGLBCGVAV-ZFWWWQNUSA-N 419.425 1.572 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1S(=O)(=O)NCC#N 434555028 RYVZBSDOSKOUEY-INIZCTEOSA-N 423.560 1.972 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 437421472 VUEKIGFFOPTLMF-ZBFHGGJFSA-N 407.492 1.586 30 10 HDEE Cc1cc(N2CCC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)n(C)n1 443929630 QFZQRYNBDNGKEY-ZDUSSCGKSA-N 404.452 1.456 30 10 HDEE CC[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 474497619 KIQDHBZTKIGRQF-IBGZPJMESA-N 400.479 1.748 30 10 HDEE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1=O 502884169 CIAOYXXUCUBMQR-HNNXBMFYSA-N 401.448 1.536 30 10 HDEE CCOC(=O)c1cnc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1C 508143195 BLCNQHUQJLNTMQ-UHFFFAOYSA-N 404.448 1.927 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1ccc2c(c1)N(C)CC2 509271654 VHCUKAIEKZGSDV-UHFFFAOYSA-N 403.464 1.767 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1 509900614 VLQMDRVNKKDWGR-UHFFFAOYSA-N 413.459 1.868 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 514202334 WDTGLTVHUCGYDO-UXHICEINSA-N 414.481 1.214 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3cnn(C)c3)C(F)(F)F)CC2)o1 514651676 LCOJUHMPTDUOHX-HNNXBMFYSA-N 411.388 1.130 30 10 HDEE C=C(C)CN1CCC(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 518496946 MDFKRZNAVIPMAN-NRFANRHFSA-N 410.518 1.619 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1Cc1ccccc1 522278616 JZRTVDRDNVMAME-UHFFFAOYSA-N 407.470 1.655 30 10 HDEE N#CCCN(Cc1ccco1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 522863197 OZAJVFLTEDJVJP-HXUWFJFHSA-N 406.442 1.998 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCOC)[C@@H]1CCOC1 570438206 VNTTUTCOBLLQJX-MRXNPFEDSA-N 406.508 1.776 30 10 HDEE C[C@H]1[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC(=O)N1Cc1ccccc1 589928363 INPHGBNIROESSL-FXAWDEMLSA-N 418.501 1.974 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 609459046 OVELYKFCLZYXQY-IAGOWNOFSA-N 424.592 1.984 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 609743809 LEKXMXPKZZFPDC-HNNXBMFYSA-N 401.448 1.901 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(C)nc1-c1ccccn1 610815347 NSJDVYCCTQQQRX-ZDUSSCGKSA-N 410.459 1.659 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCO)cc1 703968834 HDCSMMXKNVQPFH-HNNXBMFYSA-N 412.467 1.307 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc(C)c1C 732705987 KFWJXSADEISGFD-AWEZNQCLSA-N 404.492 1.679 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CCC)c2=O)cn1 735068836 FZHXUQVULFMFRH-UHFFFAOYSA-N 401.536 1.202 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 748876629 IZLADXLKKBXYGO-UHFFFAOYSA-N 413.455 1.947 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(C(=O)NCCO)CC1 749672587 ADNIZJVXOQTLIZ-INIZCTEOSA-N 402.495 1.151 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 754718026 GYXRAZDRRXSCBG-SFHVURJKSA-N 408.524 1.103 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1ccccc1OC(F)(F)F 757205947 GNHBRBMBMSGAIE-NXVVXOECSA-N 412.368 1.953 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 757898747 RALARRXHANKSII-OAHLLOKOSA-N 406.508 1.812 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(Cc3ccccc3)c1=O)OCO2 758950416 BBUZAXVGDGUJOE-UHFFFAOYSA-N 417.446 1.722 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CCO2)c1 761640920 RSHZROGNNLIKPJ-SFHVURJKSA-N 400.460 1.489 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[C@@H](O)COC(C)C 762855791 XTPUJHNCESGGSH-YCRPNKLZSA-N 402.447 1.481 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c(C)o1 767954107 YALUCQOOPWYLQL-MRXNPFEDSA-N 413.499 1.080 30 10 HDEE Cc1nnc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1C1CC1 774879337 BUWXBJSEAGIOBF-UHFFFAOYSA-N 403.464 1.484 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(-c2cccc(Cl)c2)n1 777004472 BAXSJJQHAVPZKZ-ZDUSSCGKSA-N 408.853 1.933 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 783012021 BBWJPQSHUAAVQE-UHFFFAOYSA-N 423.579 1.657 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)n1 788370707 XDDWISPRQUAYSG-HSZRJFAPSA-N 406.486 1.565 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)nc2OC)CC1 789386978 KFZHPRQXERWNFI-UHFFFAOYSA-N 412.288 1.304 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(F)(F)Cc3ccccc3)CC2)o1 796346145 MZIRLIIWEUDUIA-UHFFFAOYSA-N 418.400 1.925 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@H](C(F)F)C2)c(C#N)cn1CCOC 801708441 FUKBSMBGKGVTIU-LBPRGKRZSA-N 400.382 1.681 30 10 HDEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 816370933 OOWIKBJQKMVKJN-UHFFFAOYSA-N 420.922 1.887 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4cnccc4C#N)CC3)c(=O)[nH]c21 816994006 BSBFJQNSLXXZMR-ARJAWSKDSA-N 417.473 1.934 30 10 HDEE CC[C@@H](C)NC(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1083927824 JJXMESCAQATGIW-SECBINFHSA-N 423.455 1.880 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NC(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084206387 WKSIDJGGUAFKOP-UHFFFAOYSA-N 409.428 1.490 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)Cc1ccc(Br)cc1C#N 1124979471 OWVIPATVDKZVSH-UHFFFAOYSA-N 402.314 1.697 30 10 HDEE C#C[C@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C1CCOCC1 1131257476 PVYGDIKYFRAIFI-KRWDZBQOSA-N 413.474 1.739 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 1152967367 GLWRCGCITXMODO-ZDUSSCGKSA-N 403.426 1.421 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1171843280 GFLTXYNFQFYYHA-LJQANCHMSA-N 422.526 1.940 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 1174911091 CSDLQOGYXLWKOL-QGZVFWFLSA-N 416.421 1.767 30 10 HDEE CCOC(=O)c1nnn(C2CCN([C@H](C)C(=O)NC3(C#N)CCC3)CC2)c1C(F)F 1175228574 HUVDDBIZQLAHTM-GFCCVEGCSA-N 424.452 1.980 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)C1CCN(C)CC1 1233680820 NZLWQJGUQSCKRT-UHFFFAOYSA-N 404.536 1.466 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c(-c2ccc(C#N)cc2)n1 1233990586 IVMLTBZOIMCKCO-UXHICEINSA-N 408.506 1.699 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1251168921 AXRJDZOUDLGWIC-ZNMIVQPWSA-N 409.483 1.381 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC[C@H]4C[C@H]3CO4)CC2)cc1 1255930146 FVICOEOANPWCMU-BZSNNMDCSA-N 418.519 1.389 30 10 HDEE CN(c1cccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1)S(C)(=O)=O 1256271671 ZNZQLPYEEDTHSZ-UHFFFAOYSA-N 407.492 1.630 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1278717384 FYVRRHNCCXGGQM-UHFFFAOYSA-N 400.398 1.823 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286303810 KFTJZKGFSGUFTG-PKOBYXMFSA-N 415.563 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286428786 WNHZYZPERVUDOF-UHFFFAOYSA-N 420.517 1.203 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2ccnn2)CC1 1286473655 PXNLHEIAVGQFAN-UHFFFAOYSA-N 406.494 1.391 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCOCC)CC1 1286482275 ORXVGYXODQJHMX-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nncn3C)CC2)s1 1290748437 WJWDOVAGLRJISC-UHFFFAOYSA-N 409.537 1.290 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CC1 1295079223 WDYXSDJMNILAJE-MRXNPFEDSA-N 413.540 1.035 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1299684127 LCQWTGVQIGMWPG-UWWQBHOKSA-N 419.503 1.195 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300365248 RWDMCODHJKJRKQ-MBOZVWFJSA-N 422.551 1.368 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1300392528 AFUXKNVAYSZLFW-IBGZPJMESA-N 417.487 1.289 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1300431291 WLVOQVZWHCTOEZ-HNNXBMFYSA-N 415.469 1.909 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300488065 OLJRZJQWIPYFLT-MRXNPFEDSA-N 403.508 1.128 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](SC)C(C)(C)C 1300509440 LNJQULFUPMVGMS-CABCVRRESA-N 411.597 1.739 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN(CC)S(C)(=O)=O 1300570843 ZEXKQJAUOBSAKI-UHFFFAOYSA-N 414.535 1.475 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCOC1 1300653857 PRHFGDXIUKWYSH-WIYYLYMNSA-N 406.527 1.831 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@](C)(O)CC)CC1 1300690447 AXKCHHZFRKCONM-JOCHJYFZSA-N 411.506 1.633 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1300874754 NSUBFEDTXKEUDD-FUHWJXTLSA-N 418.542 1.456 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1ccon1 1301492329 FDBAKTXRPBSPBT-UHFFFAOYSA-N 412.450 1.889 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNc1ccccn1 1304856017 KLUDTSQNIDPTRQ-INIZCTEOSA-N 418.509 1.861 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)nn1 1312898015 GKTMFBIXJMOYAG-KRWDZBQOSA-N 412.494 1.594 30 10 HDEE CCOC(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1314054653 GMGKTEMMPRNXFL-JXFKEZNVSA-N 407.515 1.863 30 10 HDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1314628669 NRWNBRUJLJKDRS-UHFFFAOYSA-N 420.477 1.943 30 10 HDEE CN1C[C@](C)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1314920827 RTFIJJFGADFUPU-JOCHJYFZSA-N 421.505 1.387 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)C1=O 1314921488 WEABUWHGAHTHBO-DJJJIMSYSA-N 418.860 1.945 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1315548669 APWGJXWZVQHNCJ-OAHLLOKOSA-N 418.523 1.585 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1316115848 ILXXQKBMVFQLFD-GVDBMIGSSA-N 404.515 1.405 30 10 HDEE CS(=O)(=O)Nc1ccccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1317870551 BWZKQWHNCBFFAM-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1320593425 LDTCENHCBNDJPA-CABCVRRESA-N 401.529 1.321 30 10 HDEE C=CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1320899251 RQDADKDIAWGLJN-FUHWJXTLSA-N 423.535 1.311 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H](OC)C(F)(F)F 1358970865 ZIGFZTKMXPJXIA-MAUKXSAKSA-N 414.428 1.970 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCC2)CC1 1359036497 XWBLCBPTJIMPQU-ZWKOTPCHSA-N 403.552 1.292 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359062728 QPGRYPXRYVPEII-DOTOQJQBSA-N 403.552 1.991 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)NC)CC1 1359181604 ZCNRDAOGZXCBEO-UHFFFAOYSA-N 407.544 1.091 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1359272354 QEJNZGKGJFFAEQ-KRWDZBQOSA-N 421.523 1.739 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(C#N)CCCOC3)c2)CC1 1359867089 KKERJQTVBKUJNI-IBGZPJMESA-N 406.508 1.272 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)F)n1Cc1ccc(C#N)o1 1360661766 WCSDBVIJXXHKHH-JTQLQIEISA-N 402.427 1.493 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC#N)CC1 1444345877 BDHLDJJEUUFCRI-LJQANCHMSA-N 415.538 1.679 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1453510330 VQKGMKVPWHHTLR-HNNXBMFYSA-N 420.514 1.790 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CCN1Cc1ccccc1 1465074829 ZSYFSZJESTWEQE-ZDUSSCGKSA-N 408.867 1.431 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OCC)cc1 1471781419 VMXVOQZLQIZRRW-RDJZCZTQSA-N 410.492 1.382 30 10 HDEE C[C@H](CC(=O)N(C)C[C@]12CCC[C@H]1OCC2)/N=C1/NS(=O)(=O)c2ccccc21 1472407302 VRUHRRLCHJBDRM-WIBUTAKZSA-N 405.520 1.921 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1473857709 CCZVRDCWEHFXQD-DZGCQCFKSA-N 404.492 1.335 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1476110163 SRRKMSQOLDDMPO-UXHICEINSA-N 415.538 1.752 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 1478825761 DEPQXHYGEONYNU-SFHVURJKSA-N 408.437 1.729 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507572571 OMWIVVXSEUAOIX-OAHLLOKOSA-N 414.514 1.404 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1507597274 XLBGNKKBJHCNGI-ZCNNSNEGSA-N 417.554 1.717 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507630255 VTHOUWYNCTVGIY-OXJNMPFZSA-N 415.519 1.128 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1507633652 UHLHIFSVADCDSI-GJZGRUSLSA-N 407.540 1.292 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507634390 KFGFGAXZKGNCKU-FUHWJXTLSA-N 417.535 1.173 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCSCC1 1507641932 MZLXFIDKGHHOBQ-FQEVSTJZSA-N 403.552 1.052 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507725390 USPZFJGEKXGQRS-MRXNPFEDSA-N 413.526 1.942 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1507726279 AOPYNHSXVHNCEJ-HXUWFJFHSA-N 400.571 1.343 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1507730780 VJCPZXOMGDNFCP-UHFFFAOYSA-N 405.510 1.256 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)[C@H](C)CC)CC1 1507741331 PZOSQVWFEZHHRV-IERDGZPVSA-N 405.543 1.578 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1507755690 BYXIWZYXXFDKGJ-QZTJIDSGSA-N 407.584 1.728 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(CC)S(C)(=O)=O)CC1 1507903436 LRGJMBNVFGOPJP-MRXNPFEDSA-N 424.571 1.303 30 10 HDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507945790 GBZULOGAFSBNGJ-HNNXBMFYSA-N 407.482 1.838 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCC(=O)N2CCOCC2)C1 1508124535 POBCFCLXZMGBPN-SFHVURJKSA-N 403.527 1.966 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)C[C@H]1O 1517691432 YJXPTCZPHPCHEM-QZTJIDSGSA-N 421.461 1.143 30 10 HDEE COCCN(C)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1519097138 ICSUKNKHRWIJDC-QZQOTICOSA-N 424.505 1.786 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1 1519324908 IHUQJLFEMASEQY-SJLPKXTDSA-N 401.467 1.810 30 10 HDEE N#Cc1c(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cccc1OC(F)(F)F 1525108868 BGRMRCISXVIZIK-XOUADPBQSA-N 423.347 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539006367 XWDSREPPRAOWGG-PBHICJAKSA-N 409.494 1.829 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1539174841 NEYXXSAFLAAOLT-QGZVFWFLSA-N 415.519 1.304 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccnc(SC)c1)[C@H]1CCS(=O)(=O)C1 1539219639 LNBFQMIIZJONLI-HNNXBMFYSA-N 405.549 1.632 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1539345352 SZEHLVDUFLWAHW-NRFANRHFSA-N 415.494 1.688 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)c(F)c1 1539395265 BLIWDZSYFBVOOX-UHFFFAOYSA-N 416.501 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)OC)CC1 1539481323 LBAFSBVXVLJMET-ZWKOTPCHSA-N 403.527 1.563 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cccc(S(N)(=O)=O)c3)n[nH]2)c1C 1540438602 PZFJFYCTXSWXDP-UHFFFAOYSA-N 400.464 1.976 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540859113 FXBCEVXFVJUODS-MRXNPFEDSA-N 400.508 1.716 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CCC1 1540864833 MFLZPLHVPZNABZ-UHFFFAOYSA-N 403.508 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCC)CC1 1540868497 HSISXCMZKHWEQQ-QGZVFWFLSA-N 401.515 1.766 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1540873455 YKUFJAPOQNKOPP-GOSISDBHSA-N 420.521 1.369 30 10 HDEE COC[C@]1(C(=O)NCc2ccc(C#N)cc2F)CN(C(=O)OC(C)(C)C)CCO1 1543035095 RYNGOKOSVRLKLO-FQEVSTJZSA-N 407.442 1.966 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CCO1 1554442204 NEMSUEKQGLVTQO-LJQANCHMSA-N 424.505 1.585 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 1557363712 SPFRVGDVRHYIHO-SFHVURJKSA-N 402.491 1.981 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1 1557391045 SLENYJAYQFBTFV-FQEVSTJZSA-N 407.488 1.714 30 10 HDEE C[C@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1558518108 STMNTRPCTPUWMF-QWRGUYRKSA-N 401.282 1.781 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1558675834 HFWWSSYZSJKUMK-WYRIXSBYSA-N 406.508 1.847 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2Oc2ccccc2)c(=O)n1CCO 1559456735 NFYINTXYFGWDCI-UHFFFAOYSA-N 420.425 1.613 30 10 HDEE CCN1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 1561475312 IEYZQJPEDRZHGU-UHFFFAOYSA-N 404.261 1.703 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 1564547046 FUCCMYSHRRYVKO-KRWDZBQOSA-N 418.519 1.568 30 10 HDEE C[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)NCCn1cnc(C#N)n1 1564723614 CSGSONOJGWZUAU-HNNXBMFYSA-N 417.514 1.971 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 1585593162 BREJKWCTEMMIER-APWZRJJASA-N 416.522 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1587620764 JVVXYBPLYFWXLY-IVZQSRNASA-N 422.489 1.284 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1587884149 RSZPWVJTPBKMSR-HXUWFJFHSA-N 411.506 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588198462 UPXAOTNMUFAJAT-SFHVURJKSA-N 415.457 1.268 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C)N2CCCCC2)CC1 1588806446 QTWDVFLBSHXWKT-RTBURBONSA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588849118 ZNPMGLXECRIABD-VGSWGCGISA-N 413.497 1.303 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2COCCO2)CC1 1594036840 YHNQEMQFMSPWQP-QGZVFWFLSA-N 418.519 1.920 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)CC1 1594236820 JOOLBDPYAZFUEL-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1594829759 PPQVQQRKYBAQFV-UHFFFAOYSA-N 418.542 1.096 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1595204359 ARYYRNGTUVNVLP-UHFFFAOYSA-N 419.507 1.761 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(CC)Cc1ccc(F)cc1 1595466030 CLKIQYSJXSUZNA-UHFFFAOYSA-N 402.474 1.884 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1595595121 SIBMKFWDNRNVIL-OAHLLOKOSA-N 422.530 1.562 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1595773071 PDBGEQSPUSYGJS-UHFFFAOYSA-N 401.492 1.643 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 1596589931 OUPXQBLIFVELEM-UHFFFAOYSA-N 414.443 1.832 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1596831091 HZJFMUVMDZUYSY-CVEARBPZSA-N 408.572 1.650 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705644 VJMPQXLGKBAYNJ-XMSQKQJNSA-N 406.417 1.748 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1613050220 ZWSCZUORPRBGOW-AWEZNQCLSA-N 406.450 1.743 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1615093975 DZVJFWLWHYFEFL-HXUWFJFHSA-N 416.457 1.883 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(CC#CCN1C(=O)c3ccccc3C1=O)CC2 1615904988 YXEZAXKRDKTLPS-UHFFFAOYSA-N 423.494 1.647 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)CCC(C)C)CCOC1 1616260817 GGYIKRORQMXMCW-DZFGPLHGSA-N 421.542 1.846 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(=O)nc1O 1616594900 DKSSMRUFARCPTK-AWEZNQCLSA-N 402.382 1.546 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCC1 1618379047 WSWIMIJLZDICHS-CYBMUJFWSA-N 421.299 1.690 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)NCc3ccnc(C#N)c3)CC2=O)cc1OC 1618793920 UDBVVADUAUNJQK-KRWDZBQOSA-N 408.458 1.678 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc2c1OCCCO2 1621926661 AGVDLXRTTFDPOF-AWEZNQCLSA-N 415.475 1.409 30 10 HDEE COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)c1 1622395791 JMNSHCDORFNJKL-SFHVURJKSA-N 416.478 1.845 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@H]2CCCN(O)C2=O)C1=O 1625082468 JTIJQEBMXYHAFR-HRAATJIYSA-N 410.430 1.103 30 10 HDEE C=CC1(CC(=O)NCCn2cnc(C(=O)OCC)c2)CN(C(=O)OC(C)(C)C)C1 1626624309 XGWNYUXYSVYTEU-UHFFFAOYSA-N 406.483 1.989 30 10 HDEE CC(C)[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)N1CCCS1(=O)=O 1627790760 SMNWOJNKLNSNOE-RBUKOAKNSA-N 404.536 1.655 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nnc(O)n1C 1627936026 MTTKVRVIYCLMCH-VIFPVBQESA-N 405.256 1.468 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)s1 1628917631 KZQBDHGYPKYZRY-LLVKDONJSA-N 409.986 1.989 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C2/SCC(=O)N2C)cc1 1630385900 HZFPGWODFAAVKU-GEDSXHSXSA-N 408.505 1.485 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1631483527 WRKWVJVYGFZHCI-QZTJIDSGSA-N 424.519 1.520 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@@H]4CCCS4(=O)=O)CC3)n[nH]2)cc1 1632253055 MGMOQALSALOFCL-KRWDZBQOSA-N 413.503 1.564 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1632330250 ISHAXHOFPRTNFD-UHFFFAOYSA-N 400.298 1.260 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1632877792 YFSBNXBEYDCMNI-VYDRJRHOSA-N 405.451 1.206 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cc2nc(C3CCOCC3)n[nH]2)C1 1633661913 ATOGPDNEUKMGOH-KGLIPLIRSA-N 404.471 1.116 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)nn1 1636330590 IRFDXDKHSKAQQE-VQTJNVASSA-N 403.575 1.943 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1638768820 MVZLCKUWJYXBSQ-OAHLLOKOSA-N 421.498 1.167 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2sc(-c3c(C)noc3C)nc2C)CC1 1640202107 VCVOWVPZJSBUIL-UHFFFAOYSA-N 401.492 1.231 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c1 1641536220 AATQORIJZARLIF-UHFFFAOYSA-N 412.412 1.017 30 10 HDEE N#C[C@]12CN(C(=O)c3c[nH]c4ccc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1641894450 GFEWEMABHQIQOB-MGPLVRAMSA-N 408.277 1.941 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)C2)C1 1643563079 YTGTXIRIRJEXBW-IZCOPSDLSA-N 416.522 1.900 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1645292812 SUBOSBPYHSHDKN-UXLLHSPISA-N 423.535 1.188 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)CC1 1646427632 RUVNAVMUAXFVSM-FQEVSTJZSA-N 414.525 1.321 30 10 HDEE N#Cc1ccc(OCC(=O)NCCCn2ccc(O)nc2=O)cc1Br 1647049593 HEOYFJYELHKJCI-UHFFFAOYSA-N 407.224 1.168 30 10 HDEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 1652164845 UQGNNYVLYIXHCV-UHFFFAOYSA-N 410.540 1.357 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cnc4n3CCOC4)C2)C1 1653432898 CGEYLDARPNYKPF-DBWCEAHUSA-N 415.494 1.816 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@@H]12 1654264148 BECVTLLGNFHWDS-UXLLHSPISA-N 423.560 1.571 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2[C@H]1CCCN2CCO 1656411870 WWDZOHPXLXHXJP-GBESFXJTSA-N 400.523 1.861 30 10 HDEE CCC[C@H](C(=O)OCC)S(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1660531504 HMTKVKYBLDLLMO-OAHLLOKOSA-N 410.496 1.607 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 1670252243 FXDCEWHYRASQSC-ZCFIWIBFSA-N 409.645 1.612 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OC 1671561466 MYAPSUYAJSMPHW-CYBMUJFWSA-N 403.428 1.797 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1673922349 ICDANMGNFNHFSL-ROUUACIJSA-N 405.495 1.151 30 10 HDEE N#Cc1cc(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(F)cc1F 1673966802 AWNJIJXEAYXOMC-SNVBAGLBSA-N 401.416 1.854 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1685266843 KABGWBZMINXIDO-UHFFFAOYSA-N 403.552 1.976 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1689962612 LNQCYXBJCZHKBK-KBXCAEBGSA-N 407.396 1.749 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn2ccc(C)cc2n1 1690045990 UZROXWOWLSGGRH-SFHVURJKSA-N 401.474 1.697 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC2(C)C)CC1 1690135596 ZNSCHDKQCDLWIQ-QGZVFWFLSA-N 412.538 1.526 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCOCC1 1690190238 PESSMZKWXCEGHU-HNAYVOBHSA-N 409.556 1.697 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690309648 GHYZMEJMLCBBDL-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690335802 KOMVBCDOYAVMRG-MRXNPFEDSA-N 414.897 1.407 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)CC1 1690411150 GEKAQYONYZANFC-KRWDZBQOSA-N 404.540 1.788 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(N)=O)c2)C1 1690699551 GPRRONGJTCMLAU-RTBURBONSA-N 411.506 1.905 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1690740514 XXJLPNXNHYHHNW-UHFFFAOYSA-N 401.540 1.959 30 10 HDEE CC(C)C(=O)NCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691526579 VPHOCNSCRWJKEU-UHFFFAOYSA-N 409.494 1.538 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cnnn1 1694262202 YWSSMLSMFLZVGD-MSOLQXFVSA-N 407.482 1.626 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1696588495 HOAVCXMTYLTCNC-INIZCTEOSA-N 405.466 1.375 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)C1 1696875414 DUNQZBBSVQWKLG-QFIPXVFZSA-N 403.490 1.915 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1F 1698445414 SPCCVKKLTAPGEC-PBHICJAKSA-N 412.469 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1705498343 UNFDHPGHDUZDKW-MRXNPFEDSA-N 421.505 1.257 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1705531777 WGTDBQVDMFAZAI-OAHLLOKOSA-N 420.473 1.605 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705533479 NHVZRCRGNRACEP-ZWKOTPCHSA-N 401.511 1.761 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccnn2)CC1 1705538109 CTKYHNBOPJJJRJ-UHFFFAOYSA-N 405.510 1.670 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@H](O)C1 1705550863 ZPINUSHXXCULOO-CVEARBPZSA-N 416.551 1.859 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1705552870 PWQAJODYVKDUDH-UHFFFAOYSA-N 404.515 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CN(C)C1=O 1705602336 QSCNMDGNPFCTLB-QHCPKHFHSA-N 421.501 1.807 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(N)=O)C1 1705706471 VJAHDBOEKZDSJK-YWMUFLPLSA-N 416.526 1.083 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCOCC2)CC1 1705775631 HEJLQYHONGYDRX-QGZVFWFLSA-N 402.543 1.637 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705904704 VMDPYRYVTCIICO-MRXNPFEDSA-N 401.515 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CC2)C1 1705926947 OFXUZVZIVXNXMC-HPGBDJQBSA-N 401.536 1.956 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1706584256 ROXFYMWHNAAORR-SFHVURJKSA-N 412.494 1.730 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](OC)[C@@H](C)CC)CCOC1 1710482319 DGIXLAKDZRLWBH-PFRQMTDMSA-N 407.515 1.720 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1712330717 MRZTYOIEIVPBMJ-ILRDRHFLSA-N 411.478 1.232 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1712695908 LCIDWCISKVFXJZ-HNNXBMFYSA-N 404.496 1.284 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1722342707 VZMZJQIPZQSEBL-WMZOPIPTSA-N 418.567 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1722401354 UTVBREXTFNEHFN-GOSISDBHSA-N 411.506 1.407 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1722705290 CNVAYMHZROUMGA-HZPDHXFCSA-N 415.494 1.782 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1722856445 CHZFQOYFQFYTHL-UHFFFAOYSA-N 409.494 1.402 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCO[C@H]1CCOC1 1723605079 VSEBMFZYHCOVMK-JXFKEZNVSA-N 404.515 1.742 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(C)(C)O)c1 1723620549 JBNICHAKDMWIDH-KRWDZBQOSA-N 412.494 1.421 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1729666827 YJTYRJCCLKMSRS-VGOFRKELSA-N 421.505 1.257 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](CCOC)C1 1729741042 GNFDFRRFPWLUPP-OAHLLOKOSA-N 418.523 1.229 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(CCCOC)c1 1740393883 PBJVFNZWGQJUJH-QQXKLLMISA-N 402.495 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1740535281 UOGLERXPPITNLB-MRXNPFEDSA-N 404.584 1.799 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740612701 GSNCTOMCMKWIAH-FQEVSTJZSA-N 418.519 1.093 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740627954 LXRFARUULAZGSN-GOSISDBHSA-N 423.583 1.316 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1740672147 XSZMCJBTTYWOHF-QGZVFWFLSA-N 402.520 1.888 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1740694561 MZNDOZQJRVXZCI-WMZHIEFXSA-N 409.534 1.835 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOC)CCC2)CC1 1740699100 UKMOLWJDUXFURS-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1740713042 CQIFLFTXIMPDEP-UHFFFAOYSA-N 401.492 1.265 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1740732100 RMGFAPFVBPUZFH-FXAWDEMLSA-N 403.552 1.434 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740889233 XTPIZQNEDYZAOH-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740899081 FWUBXQJYFWTJJJ-HNNXBMFYSA-N 402.499 1.659 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1740925959 FKMFDQVNORCFDU-MSOLQXFVSA-N 401.559 1.753 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC)[C@@H](C)C1 1740950955 NUKORTCYDJCXNS-HNNXBMFYSA-N 405.547 1.029 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740951968 QUPDCIIVYRPHSN-HZPDHXFCSA-N 423.525 1.471 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(OC)C1 1740962221 WGAZBJUVAAXZOS-IBGZPJMESA-N 404.540 1.941 30 10 HDEE CC(=O)N1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1741024220 FCVPPCOULVZUDE-OAQYLSRUSA-N 411.485 1.964 30 10 HDEE CC(C)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCNS(C)(=O)=O 1741338886 BRLMERGASGPGFP-UHFFFAOYSA-N 402.524 1.991 30 10 HDEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1742470898 TWWXLDGFFLSDJK-FQEVSTJZSA-N 413.503 1.523 30 10 HDEE CO[C@](C)(Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C1CC1 1748374393 TWKQAQULSVSBCH-DUXKGJEZSA-N 419.526 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1748637689 DWCFQKWHQOJKET-CKJXQJPGSA-N 410.478 1.721 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)(F)C(F)F 1748766505 RHCVQISLIZJHQI-UHFFFAOYSA-N 414.363 1.912 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1748790608 JPVDDKODODVSMM-KRWDZBQOSA-N 417.535 1.872 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748818276 YPJGGTHGQMSNEO-JXFKEZNVSA-N 410.584 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1 1748831243 HZBWRMSCVYTSPO-OAQYLSRUSA-N 412.515 1.582 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1748936442 ZAMGRQIHILOGBC-UHFFFAOYSA-N 416.547 1.463 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1 1749168976 DSTVHYLEVUSGOJ-IKGGRYGDSA-N 412.556 1.839 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1ccccc1F 1749649978 FNXKJFWUDLVUKM-UHFFFAOYSA-N 414.485 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC2CCOCC2)CC1 1749660026 MKLDDDPAPFQLGQ-UHFFFAOYSA-N 424.549 1.796 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749663511 IFEUAJONTJZBFP-UHFFFAOYSA-N 406.494 1.599 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(=O)NCC)CCC2)C1 1749694282 QNHCZWIQZHDXHZ-INIZCTEOSA-N 418.542 1.504 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1750198814 XPRMQTBMHUZHIS-UHFFFAOYSA-N 413.463 1.261 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)cc1 1750222734 HLBABMAPEOTROE-CQGGRAHPSA-N 410.503 1.929 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1760101940 CQIILFMSOWIHAO-ASHKIFAZSA-N 420.560 1.718 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1760143861 VJDGHNDKRAELGT-GOSISDBHSA-N 402.543 1.475 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1760155077 PBYGTMMEGDWTRQ-QGZVFWFLSA-N 411.572 1.895 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760172085 MJAQQPPVVLBQMA-BZSNNMDCSA-N 415.517 1.588 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)COC)CC1 1760256716 JEBYZJHQDWPZDU-QFIPXVFZSA-N 419.570 1.747 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1760348533 AWBDWMLASOHNQJ-MRXNPFEDSA-N 404.515 1.199 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760359522 QOCLITIIUNEHOV-AWEZNQCLSA-N 404.540 1.893 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760449071 ZIMQSGTXRSBHRR-UZLBHIALSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1760523301 SSSPHQVASPRMEP-LJQANCHMSA-N 421.505 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC2(CC2)C1 1760557318 HPCRNRSPTUTMTM-UHFFFAOYSA-N 407.540 1.382 30 10 HDEE Cc1nnc(N2CCN(c3ccc(O)cc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762610502 KKKHKIJHGOBCSK-FMQUCBEESA-N 423.477 1.145 30 10 HDEE CNC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1769328907 DKQRWMUCLDAYGO-HXUWFJFHSA-N 408.441 1.709 30 10 HDEE COCCOCCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1770146883 IISYXLMSEIJXAB-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE COc1ccc(S(=O)(=O)NCC#CCN2CCc3ccccc3C2)cc1C(N)=O 1848651878 DSMUEAQZXVPXEY-UHFFFAOYSA-N 413.499 1.134 30 10 HDEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)NCC#CCN1CCCCC1 1849996650 MFLBRBIXFCZFOF-INIZCTEOSA-N 400.548 1.765 30 10 HDEE C#CC[C@@H](F)C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccc(OC)cc2)CC1 1850355944 HVPZJZXHAYGVJB-GOSISDBHSA-N 400.454 1.706 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)CC1 1850474566 AANKYRMTHRUZOV-LJQANCHMSA-N 407.536 1.569 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccccc2)C3)CC1 1850910370 GGBPWAQOZXJBOM-LJQANCHMSA-N 415.457 1.779 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 1851808082 OCLKKKHVMFUBAP-UHFFFAOYSA-N 416.489 1.828 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(F)c4)n3[nH]2)CC1=O 1852331540 UBAIUHKWAWEHGK-ZIAGYGMSSA-N 424.436 1.798 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2cccs2)CC1 1853407980 WSYIEIHXJZYZQS-UHFFFAOYSA-N 412.581 1.702 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1C 1854393178 CSOGGMCMXJHNDZ-QGZVFWFLSA-N 416.455 1.966 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2c(Cl)cccc2Cl)C(=O)C1 1854461068 MEWYJMKGKQHYAX-UHFFFAOYSA-N 404.275 1.450 30 10 HDEE Cc1cc(CC(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)on1 1854869444 JEVOFYYGDDOWHG-SFHVURJKSA-N 409.446 1.463 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccnc(-c4cccnc4)c3)C(=O)C2)C1 1855028228 TVWZDFYRSOHRBQ-LJQANCHMSA-N 404.474 1.416 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3cccnc23)CCN1CCOc1ccc(C#N)cc1 1855924182 UHFJONMQQAJISD-OAHLLOKOSA-N 404.430 1.353 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCCCc4cccnc43)ccc21 1856045175 WHCARAHSTYQXEL-UHFFFAOYSA-N 410.455 1.943 30 10 HDEE CC(C)C[C@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235089 AYFQXLOMSNATOC-ZBFHGGJFSA-N 402.474 1.228 30 10 HDEE CCn1nc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cc1C 1856389890 ICLFASHQZOGBFW-HNNXBMFYSA-N 408.462 1.230 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C(=O)C2)C1 1856867998 FTIUSUWOBOECMM-HXUWFJFHSA-N 410.518 1.748 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)COc3cncc(Cl)n3)C2)CC1 1856939723 WXTHBKZNJKYQIR-HNNXBMFYSA-N 405.886 1.900 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(Cc4cccnc4)C3)CC2=O)cc1 1857150606 KEVMQHNBGVGLSC-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1857185102 FGIHWLIGNSQRFO-PKOBYXMFSA-N 414.510 1.462 30 10 HDEE COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2C#N)N2CCN(C)CC2)cc1 1858062414 GRHOTCBHEBRRMP-HXUWFJFHSA-N 414.531 1.834 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)cc1 1858394462 WSZAILCGYBEHSO-HIFRSBDPSA-N 408.380 1.899 30 10 HDEE Cc1nnc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)c2ccccc2)o1 1867037101 WLHMSQQEHHKTNL-RBUKOAKNSA-N 419.441 1.888 30 10 HDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870097955 GGRZIOLKVCMMBO-UHFFFAOYSA-N 414.359 1.577 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870560240 NJCATTYLYPCMHE-RTBURBONSA-N 403.523 1.192 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CN2CCc3ccccc3C2)cc1=O 1870560547 AZBSVHIOQVBKED-UHFFFAOYSA-N 407.514 1.751 30 10 HDEE C#CCOc1cn(C[C@@H](C)O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870562286 YXHJGMRIVOSLIJ-GOSISDBHSA-N 411.502 1.572 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc2c[nH]nc2c1 1870962605 WTECDYOARLGDKH-UHFFFAOYSA-N 411.462 1.664 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)cc1OC 1891754931 QIWROOREGPACEF-UHFFFAOYSA-N 418.475 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995108941 BYYYSBASBRYJSH-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE C=CCN(CCC(=O)NCCn1ncc(Br)n1)C(=O)OC(C)(C)C 2010407627 LWOMBTJVOZKSTK-UHFFFAOYSA-N 402.293 1.970 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)s1 2054404453 VFBHCHYTADEKNV-HNNXBMFYSA-N 421.500 1.936 30 10 HDEE C[C@H]1[C@@H](C(F)(F)F)N(S(=O)(=O)N2CC(C#N)C2)CCN1C(=O)OC(C)(C)C 2174779097 FLPYRKXNUCHLDS-JQWIXIFHSA-N 412.434 1.559 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174787528 VEOQZDJCIFCRTG-LBPRGKRZSA-N 414.450 1.856 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2225387789 DLNJRCRMRDAGGX-ZIAGYGMSSA-N 406.485 1.971 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(N)=O 2243313001 HDQWEVPPOGMRPQ-LBPRGKRZSA-N 407.276 1.138 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386575 CTIXYZXBUIILMM-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243403269 UZQWKIIBKHQSBH-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2247823763 RDUXSGGZTBEOTB-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCONC(=O)OC(C)(C)C 2247832911 XIWMKQLIBOWAKZ-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247916746 DDTGZZPSRLQKNS-CHWSQXEVSA-N 420.319 1.742 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2OCc2ccccc2)n1 2247922000 ZIKLJJJNJHBQDA-HZPDHXFCSA-N 412.299 1.592 30 10 HDEE Cn1cc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c(CNC(=O)OC(C)(C)C)n1 2248413424 WNIQOCDQDNSKMO-UHFFFAOYSA-N 418.303 1.809 30 10 HDEE O=C(N[C@@H](CS(=O)(=O)NCC#Cc1ccccc1)C(=O)O)OCc1ccccc1 2270512714 ZUCBMZIZIPKTHR-SFHVURJKSA-N 416.455 1.337 30 10 HDEE Cn1nc(C(=O)NC[C@H]2CSCCS2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037074 QVDDDWZKSQYONM-JTQLQIEISA-N 417.793 1.951 30 10 HDEE CS[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C1CC1 2282414847 YLTSJZFTZAKJIZ-LBPRGKRZSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(F)CC(CO)C2)OC1(C)C 2282500950 PZFUAXPQNUSBJI-UHFFFAOYSA-N 405.322 1.436 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3OCC[C@@H]23)OC1(C)C 2282501716 AUJVLFAKHAUELR-DMDPSCGWSA-N 400.331 1.039 30 10 HDEE C[C@H]1CCOCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503680 DICSGVNOPJVCGO-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C=C(CS(=O)(=O)NC[C@@H]1CCS(=O)(=O)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2282506835 YCKBVFSDHRGLSR-ZIAGYGMSSA-N 407.363 1.307 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCOCC(F)(F)F)OC1(C)C 2282510772 DOZFLNFQRBYZFX-UHFFFAOYSA-N 415.264 1.905 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282512355 SDJNACOWKDLZEO-DGCLKSJQSA-N 421.415 1.579 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N1C 2282861635 QPOXWZASPKTZPC-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCSC1 2282862433 CLMASZFRHGPAFJ-INIZCTEOSA-N 419.399 1.848 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CC3CC3)C(=O)O)s2)OC1(C)C 2284395353 KHENOOPBZZINIZ-LLVKDONJSA-N 401.315 1.579 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284408250 UISNBZRJVPMSNL-LLVKDONJSA-N 421.371 1.532 30 10 HDEE N#CC1([C@H](O)c2sc(Cl)cc2I)CS(=O)(=O)C1 2302280829 VTTHNVCYQCHTJL-MRVPVSSYSA-N 403.650 1.978 30 10 HDEE C[C@@H](C#N)S(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2316989439 KRZMGYFZNDMPBD-LURJTMIESA-N 400.096 1.619 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2342052597 DHWWWVNSNIYVSN-OPYAIIAOSA-N 420.531 1.365 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@H](O)c1nn(C)cc1I 2363524768 FXEZBZVJQCASSE-GWCFXTLKSA-N 402.261 1.544 30 10 HDEE CCCN[C@@H](C#CC(C)(C)OC)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363542027 OVIZUCYTZASYHA-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@H](O)c2cn(C)nc2I)n1 2363925324 VUXNEEUMXKWWKR-ZYHUDNBSSA-N 402.261 1.456 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365204458 YDJNLHCREMEPBY-KUHUBIRLSA-N 402.557 1.538 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1 2367791420 JEYUHJGNTQVMLZ-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2367808977 IORHUTJHMCSPKG-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367816332 HMLUBOZNDIQSFM-MPGHIAIKSA-N 400.541 1.292 30 10 HDEE CN(C)CC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2369667139 IRIKHTWVKBPXKK-UHFFFAOYSA-N 400.737 1.449 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccccc1OCC 10063373 QXRNZCCSOZHUJG-UHFFFAOYSA-N 404.492 1.807 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(CC(=O)N2CCOCC2)CC1 23366082 OXWTYMSBGAWLJP-HNNXBMFYSA-N 419.913 1.015 30 10 HDEE C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 35870971 WRDHXXQTBVFOMS-SJLPKXTDSA-N 410.430 1.993 30 10 HDEE Cn1c(=O)n(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c2ccccc21 109890463 UPOAEBMORKUGBW-GOSISDBHSA-N 421.482 1.752 30 10 HDEE CCc1nnc(N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c(C#N)c1CC 301616173 JRBDHBQZYUBEKP-UHFFFAOYSA-N 404.496 1.589 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3[nH]c4ccccc4c(=O)c3c2)CC1 435932002 BAXHYYPNXRYODT-UHFFFAOYSA-N 404.470 1.741 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1O 442852743 LLDDQSUXPULATB-UHFFFAOYSA-N 401.444 1.419 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 464424123 WYWVWIDTOHBNQB-UHFFFAOYSA-N 420.535 1.132 30 10 HDEE COc1cccc(-c2nc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)no2)c1 471963586 FDMMVKLZZBZFLH-CYBMUJFWSA-N 405.418 1.758 30 10 HDEE Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)s1 479831438 QZPWJJAUIBQDAA-UHFFFAOYSA-N 404.517 1.707 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 488276462 ZKFGNOQFZJDZEJ-CABCVRRESA-N 411.462 1.650 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1 502676364 AWQJHOFRVWOUDR-ODIFPOPNSA-N 406.508 1.767 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)COc1ccc(C#N)cc1OC 504017499 MBGQWMGRXAUROI-UHFFFAOYSA-N 401.444 1.443 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H]1CCCO1 508841124 OWTDCMJHFIPEDV-INIZCTEOSA-N 405.524 1.997 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCC3)nc2)CC1 524494468 GVIVRQLMTXDUMN-UHFFFAOYSA-N 400.527 1.201 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCNc2ccc(C)cc2[N+](=O)[O-])CC1 524806367 YKGHYOFOTPSOBP-UHFFFAOYSA-N 418.498 1.335 30 10 HDEE C[C@@]1(C(N)=O)CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 541702469 NOLIKLHAHGOCMZ-RXVVDRJESA-N 401.486 1.264 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 542249045 VVCFYTWUJAUVCA-UHFFFAOYSA-N 416.507 1.944 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 549688563 QTCNHWFKOKDGJM-HOTGVXAUSA-N 407.544 1.811 30 10 HDEE CC(=O)c1ccc2c(c1)CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 549970027 AWTGMEQHXBSBMM-UHFFFAOYSA-N 421.501 1.807 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 553223617 PJSJDMXQABVICZ-UHFFFAOYSA-N 420.535 1.501 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 557530767 OLPODKRZAOXVSQ-UHFFFAOYSA-N 412.542 1.497 30 10 HDEE C[C@@H]1COCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 561920568 ORBSYFLSYLULDD-NVXWUHKLSA-N 406.508 1.247 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)C1 576433432 QUFLRFJSJXVDGE-SFHVURJKSA-N 402.524 1.715 30 10 HDEE N#Cc1c(NC(=O)C[S@@](=O)CC(=O)NC[C@H]2CCCO2)sc2c1CCCC2 586298277 KFUKWUOTZVNULO-MUDIAHQHSA-N 409.533 1.481 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](C)C(=O)OCCC)nc1C 586302020 HDUGYKAQRUXBGA-LJZMDLFKSA-N 402.494 1.823 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 609507777 SRHDFGZBCKSNEG-MJGOQNOKSA-N 423.535 1.566 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CCN1CCCS1(=O)=O 610615242 VJVQRAVEGIUZGW-MRXNPFEDSA-N 408.524 1.298 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C)CC1 731732068 ORPIRBHTRSPWQN-FVRSWCFKSA-N 401.529 1.567 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(Cc1cccs1)C[C@H]1CCCO1 732464878 BRIDDENVPYUFOY-MGPWXQLLSA-N 404.492 1.965 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 732464880 BRIDDENVPYUFOY-YWMAMYRUSA-N 404.492 1.965 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CSc1nnnn1C1CCCC1 734291344 NXKNEMNWJGDDBN-UHFFFAOYSA-N 406.493 1.566 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 737968371 CFOJXAYIQWKGFZ-FMKPAKJESA-N 420.535 1.300 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccc(Cl)cc1 741340491 DBIFJAGVJODIHF-WVOMEGHKSA-N 405.838 1.804 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(N3CCOC3=O)ccc2C)CC1 743242975 XADHWKCZMBUFGV-UHFFFAOYSA-N 401.467 1.403 30 10 HDEE C[C@@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 744947419 DANNGVADGIZDOB-BXUZGUMPSA-N 412.368 1.847 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746188800 HOYSZZKSDZLAAY-ZCXUNETKSA-N 406.483 1.666 30 10 HDEE COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 760793815 PSJUCOVDWCXHPR-UHFFFAOYSA-N 411.462 1.664 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(OC)c3)C2)cc1 766627470 OXPPCOGTXHOKDX-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774170108 DSOHRTOINPINPU-KDOFPFPSSA-N 403.504 1.928 30 10 HDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CCCC#N 784125758 SCTKNSHHWIRKGJ-QGZVFWFLSA-N 417.535 1.998 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(C(=O)O)cc3C)C2=O)n1 788330992 KIRGSWYFKFFDTO-IBGZPJMESA-N 424.457 1.303 30 10 HDEE C#CCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 790967433 SGGSIJDWMZXTHO-UHFFFAOYSA-N 401.282 1.175 30 10 HDEE CC(C)[C@@H](NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCO2 798747356 HJFSZDIGATXVQU-ORAYPTAESA-N 413.434 1.539 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 800082835 ATEZNNATTVEUFW-MRXNPFEDSA-N 416.544 1.567 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 803521302 CJLMXDXIWSHDPG-GOSISDBHSA-N 415.515 1.410 30 10 HDEE COCC#CCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 811364882 UDBFKUGRUBZREH-BUAHTRFOSA-N 405.450 1.659 30 10 HDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812168540 RKQQMIIAHGGIKT-AEFFLSMTSA-N 416.503 1.227 30 10 HDEE CC(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 812242127 NBYQCLYQPMVTET-HZPDHXFCSA-N 420.514 1.971 30 10 HDEE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)NC3CC3)n[nH]2)c([N+](=O)[O-])cc1O 1084610862 GFVZYBWGEOUADU-QMMMGPOBSA-N 421.439 1.632 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(CC#N)cc2)C1=O 1130371915 IDLPFLMKCFZGSG-QFIPXVFZSA-N 406.442 1.845 30 10 HDEE COc1cc(NC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)c(F)cc1C#N 1131704400 AZSSSQBBJDJYBP-UHFFFAOYSA-N 410.405 1.983 30 10 HDEE C=CC[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 1136819922 HQKJQRGKLAQHCG-SJORKVTESA-N 409.895 1.808 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)c1 1144854499 LCWDXDMMQJOYMH-UHFFFAOYSA-N 413.459 1.920 30 10 HDEE COc1ccc(CCCCC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OC 1148392723 GEKGSXSKGIRTRH-UHFFFAOYSA-N 400.435 1.367 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnc(N)o3)C2)s1 1149318971 RMGFVYSDEXADJP-NSHDSACASA-N 411.509 1.126 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Cc3ccccc3Br)C2)C1=O 1150538167 JXSORUZYBLNAQU-UHFFFAOYSA-N 420.263 1.427 30 10 HDEE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1CCCN(O)C1=O 1159641434 LRLHFMWOTAWCEH-JFBXQDQPSA-N 423.491 1.913 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 1170892377 VGTLAFWMHBEPAG-UHFFFAOYSA-N 401.448 1.457 30 10 HDEE C=CCN(C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1)[C@@H]1CCS(=O)(=O)C1 1205514834 KOAGIICRPJJNMP-LLVKDONJSA-N 401.510 1.801 30 10 HDEE C#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1228588652 ZYWSHZNEYWJDBJ-UHFFFAOYSA-N 401.492 1.054 30 10 HDEE C=CCOCCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1231085354 CVBYAUVXYFLLQJ-UHFFFAOYSA-N 421.494 1.773 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC(=O)NCC#N)C2 1271771684 VKQGSXLROOOUHX-CQSZACIVSA-N 418.450 1.126 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286384277 HEMRPMXMTXQEAF-FGTMMUONSA-N 424.567 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1286454427 WYHGQTDQSDJRLS-OLZOCXBDSA-N 403.599 1.196 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H](C)N1CCOCC1 1286466317 GTCSMOZGMIBTAR-FQEVSTJZSA-N 411.550 1.984 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1286469443 FKYWEWGDUZYWBV-IRXDYDNUSA-N 402.543 1.375 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286476995 MORGGTGEMSLFDH-LJQANCHMSA-N 407.522 1.354 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCCC2(C)C)CC1 1286483475 MDQFKIIEWIAGLW-JOCHJYFZSA-N 414.554 1.097 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2ncn(C)n2)CC1 1286489422 RWBNGBJGHREARV-UHFFFAOYSA-N 422.468 1.227 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286530223 JAOAGIAELXEMCT-KRWDZBQOSA-N 423.315 1.282 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286561626 FONMQEXGQIDGQB-VQHPVUNQSA-N 410.540 1.734 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)C(=O)NCC2 1286768033 OICHIASCYOEGLT-UHFFFAOYSA-N 421.505 1.652 30 10 HDEE COc1ncc(NC(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1C#N 1289072593 YRNAPZDNSXVQLK-QLFBSQMISA-N 402.476 1.807 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C=O)cc1 1291833345 ZQRXBSVSKJRTOW-FQMKLWGBSA-N 406.508 1.839 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccc(OC)n2)CC1 1292469773 GSBIQXPEFDQXCS-HNNXBMFYSA-N 403.483 1.441 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 1297335256 NQRIJYYCEBXQHX-CGQZWFTASA-N 412.483 1.307 30 10 HDEE CC[C@@](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 1297711943 GHNJNANEDIBBHO-FQEVSTJZSA-N 415.471 1.431 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C#N)CO)n2CC 1297880754 UBHMKXXQYSHSTB-CQSZACIVSA-N 421.523 1.020 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)n1 1298865756 FLXHFGYFGWBDAC-OAHLLOKOSA-N 414.857 1.416 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1299070840 AZSRFIZBDORKIR-SJORKVTESA-N 400.458 1.764 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1300471389 ACBREJTYSAIUIC-LSDHHAIUSA-N 403.508 1.391 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1300506381 RRBOCWCEYQOCDP-IBGZPJMESA-N 412.538 1.088 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1301092475 UXFLDKFTZOPLRP-INIZCTEOSA-N 407.540 1.382 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1301422402 KAGRBTUIHZZSHX-MRXNPFEDSA-N 418.542 1.517 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1301556338 HDNXIQCBBKMHJZ-IRXDYDNUSA-N 410.540 1.388 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1303367579 XDQWHGUCIDMIIK-ZOCIIQOWSA-N 406.462 1.196 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1303426501 SWONWYWKOWJQIU-IBGZPJMESA-N 417.445 1.362 30 10 HDEE Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)n1 1304615246 BKFFUOVVOQIWPH-GXTWGEPZSA-N 403.512 1.714 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(=O)sc4c(F)cccc43)CC2)o1 1307348023 CPSWYPKSHVSQSV-UHFFFAOYSA-N 401.423 1.719 30 10 HDEE C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[C@@H](C)O1 1307933764 DSLMWJVYYVPCOT-CVEARBPZSA-N 413.478 1.954 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 1310013213 JZEAOXWOEIQTKE-INIZCTEOSA-N 422.551 1.823 30 10 HDEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1314576836 LIEOQABQFDQYFK-PCOOWLHVSA-N 409.556 1.901 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)OC 1315800284 SEJCWPBBWFFMGA-BZSNNMDCSA-N 410.478 1.193 30 10 HDEE COC[C@H](F)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315827273 SMUANZJVAHHXRM-GOEBONIOSA-N 414.489 1.592 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1316099778 CKYOUCLCKPFZIT-UHFFFAOYSA-N 418.523 1.674 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1355541052 WSNGNZXPMXTTQT-CQSZACIVSA-N 405.455 1.421 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1358872319 SJTRVFHSVAPIRT-NJINODPHSA-N 411.572 1.942 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)CN1CCOCC1 1358944439 TUECEMZXOMQQSW-QGZVFWFLSA-N 413.522 2.000 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359235703 KSAUEIRKFKDTIF-AWEZNQCLSA-N 419.507 1.578 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359297832 DESVLZROQHSFAM-KRWDZBQOSA-N 406.494 1.890 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1359301499 AGIAOBDIAAPXDL-UHFFFAOYSA-N 410.482 1.206 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359306530 JSBVQSPBPNYPKA-QGZVFWFLSA-N 412.450 1.903 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc1 1440893260 NOZRWEHNSIHGMM-HNNXBMFYSA-N 401.398 1.258 30 10 HDEE O=C(CN(C(=O)c1ccccc1)c1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 1443533406 CBVDUXXAANEEPE-QURGRASLSA-N 418.453 1.976 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C)CCCC[C@H]2C(=O)OC)s1 1446871011 RQWDTUIFENETQU-KBXCAEBGSA-N 414.549 1.993 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2cnccc2s1 1455632881 HECROMZKXFNFLI-UHFFFAOYSA-N 401.473 1.436 30 10 HDEE CN(C)CC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cccnc1 1456024224 ITZDWILVGHJKKX-GOSISDBHSA-N 404.467 1.941 30 10 HDEE N#CCc1cccc2c1CCN(CCC(=O)NN1C(=O)NC3(CCCCC3)C1=O)C2 1460564295 AIUDYVUQOMPTFT-UHFFFAOYSA-N 409.490 1.787 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C[C@H]1CS(=O)(=O)C2 1462997815 KRTXDKGRTXSIFL-UGSOOPFHSA-N 405.476 1.883 30 10 HDEE Cc1cccc(OC[C@H](O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1465779039 UFSBCEOTUMRNCA-CQSZACIVSA-N 406.435 1.601 30 10 HDEE N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1F 1469280966 FWVYRJGIKRIUMR-UHFFFAOYSA-N 408.377 1.811 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)cc1 1469309290 LWIXWUAALGHKRA-IBGZPJMESA-N 413.499 1.464 30 10 HDEE C#C[C@@H](NC(=O)NCCC(=O)NCCC(=O)OC)c1ccc(Br)cc1 1470663919 TWNAJUPCCXWLBL-CQSZACIVSA-N 410.268 1.492 30 10 HDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471820461 HRNGHIBAUVUXHH-QGZVFWFLSA-N 419.434 1.894 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](c4ncon4)C3)C2=O)cc1 1471968543 VNYBXJHFLDCODW-GDBMZVCRSA-N 408.418 1.552 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(C(=O)OC)cc1Br 1475528173 KZUCGQCYSGBWBJ-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1475677279 RIBCTBBPOYTFDP-INIZCTEOSA-N 412.533 1.050 30 10 HDEE C=CC[C@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccncc1 1477934305 VATVVRCQYWXRSO-ROUUACIJSA-N 409.556 1.953 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COc1c(C)nn(C)c1C 1490807192 IEYMOTHYPGTMGF-DZVNLGKHSA-N 402.495 1.255 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(=O)NC1CC1 1507517747 JJFDMWONIGXPGI-IERDGZPVSA-N 403.527 1.835 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1C 1507564575 SLLDQURAOGKFBL-IKGGRYGDSA-N 409.556 1.649 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507594107 CYQXFZQNPARGSH-IEBWSBKVSA-N 423.473 1.502 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507743408 AWSRMOATHKEOGJ-UHFFFAOYSA-N 418.611 1.902 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1507757362 SJWMMLKECWKQPU-UHFFFAOYSA-N 420.560 1.801 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1 1507797454 LQOGPEKMICYTAX-JYJNAYRXSA-N 412.581 1.715 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)c1ccc(C)cc1 1508077257 XZYVBTKIIYTYSJ-AWEZNQCLSA-N 406.512 1.267 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508080677 CXZOVHSMPWQNHR-KRWDZBQOSA-N 423.477 1.825 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCc2oncc2C1 1508088619 ZTQYBPJFUJYNLJ-UHFFFAOYSA-N 414.416 2.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1508121332 DDGZMMUUMVOANL-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)F)CC2)nnc1C(C)(C)C 1508149009 NCHVCVGDEYYWLF-UHFFFAOYSA-N 405.515 1.564 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1508160241 DCAXIYZFLZKRCL-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1508812925 PLSKQODISOTFJS-QGZVFWFLSA-N 409.494 1.304 30 10 HDEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514538614 ALCWIXCONANNBN-IAGOWNOFSA-N 401.515 1.222 30 10 HDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514814048 DHQGPOGCNSDBMX-MRXNPFEDSA-N 415.523 1.183 30 10 HDEE N#C[C@@]1(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCCOC1 1525683481 FDBYARAELFUZJZ-HNNXBMFYSA-N 406.291 1.708 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 1532433856 BMWCGHGLUQWFHV-KRWDZBQOSA-N 413.471 1.256 30 10 HDEE CC(C)[C@H](NC=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1534462346 ZHUQXNXJNZMPAX-LSOGNMMWSA-N 408.524 1.989 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cc(F)cc(C#N)c2)C1 1535375549 LSISCDUKBDCNKW-BFUOFWGJSA-N 423.466 1.918 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC2=O)cc1C 1536180810 YFAHGKBMWAVCHN-WWMYMODYSA-N 415.515 1.443 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1538272469 VEORFMRLEMHYFU-NVAPDCRFSA-N 410.430 1.317 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1538555464 IBBMTSFGSDINCM-KRWDZBQOSA-N 400.479 1.268 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1538975362 ZUWZJVXULZCDBI-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1539002705 GZVMOFTWWYXLQR-PEBXRYMYSA-N 406.490 1.811 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1539118726 QLJLOLNHYXDCPH-ZUZCIYMTSA-N 401.347 1.207 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1539175435 XZOXECSQZRSKOG-UXHICEINSA-N 406.534 1.863 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC(F)(F)CO1 1539422697 HXZBLRWLDCFZOH-XHSDSOJGSA-N 414.453 1.512 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539430379 IUJHEIIKLJBGJQ-OALUTQOASA-N 402.587 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@H]2CCCC[C@H]2C)CC1 1539445801 GSCHWAWTOFPVHO-QYZOEREBSA-N 414.554 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCC(=O)N(CC)CC)CC1 1539446240 ABIAPZIRAWCOSO-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(C)nn2C)CC1 1539476265 UECMBIIACHEVEE-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1539650516 RMGYIXMHKGVUFE-IYJVBRSBSA-N 419.617 1.838 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540035718 HQHRSLQGMODJGJ-KRWDZBQOSA-N 416.526 1.905 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1)C1CC1 1540109899 WGLRGUNGBLKAOQ-INIZCTEOSA-N 423.583 1.446 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540376229 XQJDCDAKXHAZHW-UHFFFAOYSA-N 404.423 1.253 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540898041 YNEQSUPCYWFDIM-NVXWUHKLSA-N 406.556 1.569 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1)N(C)C 1541864988 GUVLVUYWBJQWOV-YCRPNKLZSA-N 411.510 1.381 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)n1 1542633310 GUWMNAGBSZRQQN-JXFKEZNVSA-N 413.551 1.815 30 10 HDEE C#CCN1CCCN(C(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)CC1 1544084650 QMPXNBNQIFHCEZ-UHFFFAOYSA-N 415.538 1.777 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1554940733 GJXSAXHILPRFLO-CVEARBPZSA-N 414.466 1.361 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1555984691 AEOVBLZMSGPKDU-LIRRHRJNSA-N 415.404 1.449 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1556824255 ZPOXVQLPEHHOQQ-FUKPKEADSA-N 406.442 1.814 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C 1557252060 GIFAACQUHFNRPA-PBHICJAKSA-N 409.508 1.708 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1nc2ncc(Br)cn2n1 1557383519 ADTXQAOQXAOWCW-CYBMUJFWSA-N 401.224 1.564 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2[nH]nc(OC)c2Br)cc1 1558036781 AYQIAPNKRJONSA-UHFFFAOYSA-N 415.269 1.897 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 1569003666 IFXQPDZQIPTQBF-KZULUSFZSA-N 414.443 1.089 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)cn1 1569044663 STTACXALPFWXSU-GOSISDBHSA-N 422.489 1.822 30 10 HDEE O=C1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc2N1 1570756411 UIPHSTMCLBBNSG-UHFFFAOYSA-N 412.471 1.486 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC[C@H](CC#N)C2)cc1C 1584317527 GSWFCJHOLQCYIT-SJLPKXTDSA-N 420.535 1.368 30 10 HDEE CCc1nc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)co1 1587596272 GKSWVQMHCFGQQE-UHFFFAOYSA-N 402.476 1.826 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1587765433 GQKIADNBJYUNLG-QGZVFWFLSA-N 421.567 1.795 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1587812827 DBHZDROXTVDXEF-KRWDZBQOSA-N 413.526 1.841 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1587856589 NNLAAMHWLHOLRG-RBUKOAKNSA-N 419.595 1.906 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1588292777 BMMSUSHPVRTUST-KRWDZBQOSA-N 421.509 1.101 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1588314465 FSZQOMNUZPNJCM-GJZGRUSLSA-N 404.515 1.992 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCOC1CCOCC1 1589134080 DHNJCICUWTWRGW-OAQYLSRUSA-N 403.527 1.994 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1595507047 UYFYRSPVAVCKDT-KRWDZBQOSA-N 412.494 1.361 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1595536466 AUEDEQPDOXRCJD-UHFFFAOYSA-N 401.540 1.545 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OC 1596794702 GKGDVVCKPWMVFK-ZDUSSCGKSA-N 404.872 1.760 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1596822490 LCVZDFZPMUBZSH-UXLLHSPISA-N 411.514 1.228 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)NCC#C[C@H]1CCCCO1 1606801162 DZOKXOUHIBTVIW-CYBMUJFWSA-N 420.409 1.552 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3ccc(C=O)o3)cc2O)CC1 1615209831 WDGMQWIUSUDCLO-UHFFFAOYSA-N 409.442 1.362 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)C1CCN(C(=O)OCC)CC1)c1cc[nH]n1 1617289989 DTZRRTAYBRRISG-CYBMUJFWSA-N 423.470 1.067 30 10 HDEE C=CCN1CC[C@H](N(C)C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1=O 1617562275 PSJOKSHNDDUDMX-SIKLNZKXSA-N 401.507 1.869 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc(Cl)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1618171758 LGICFMQKKUNHAT-TVQRCGJNSA-N 404.673 1.508 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc3c(c2)c(C)nn3-c2ccccc2)C1=O 1618778978 FEIQZSIAXRZGOH-UHFFFAOYSA-N 418.413 1.644 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1619627288 JARVCPXKUGMGCR-HNNXBMFYSA-N 407.471 1.282 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC1 1619911818 HZOFXRSCXMTVRV-AWEZNQCLSA-N 402.455 1.409 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1620161001 VXVIBJSSBBHUBD-MRXNPFEDSA-N 422.555 1.574 30 10 HDEE O=C(CN[C@@H]1C(=O)NCC12CCOCC2)NCC#Cc1cccc(C(F)(F)F)c1 1620616581 FUKJRFUSCUESNB-QGZVFWFLSA-N 409.408 1.058 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 1621835187 GMRPUHHMWVSTIS-UHFFFAOYSA-N 424.375 1.642 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1622014682 MYQLHSCBIRWLHS-KRWDZBQOSA-N 414.549 1.863 30 10 HDEE C=C[C@@H](O)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1624997548 WBMFCDOGHDIIIL-JXCQQFQQSA-N 422.459 1.412 30 10 HDEE CC(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1626181169 ZOPZPDCUHAEQSE-TZQQIIETSA-N 404.511 1.900 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1626270802 BLFKUEYTHIZIKZ-UHFFFAOYSA-N 413.455 1.587 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1626373758 MDUNLHBEXDJZEY-DLBZAZTESA-N 407.511 1.343 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N3CCN4CCC[C@@H]4C3)cc2)CC1 1627241438 IVBGORPGKJVARK-OAQYLSRUSA-N 409.534 1.964 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1 1628633117 XVKLPVZIFNJCBS-SFHVURJKSA-N 421.519 1.792 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1632067790 XQNUXJGKBIBHHN-ZDUSSCGKSA-N 413.883 1.258 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN([C@@H]4CCOC4)CC3)C2)C1 1632237664 HZRFBJAZYKYJPY-YHHIVYBXSA-N 418.538 1.706 30 10 HDEE C=CCc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc(OC)c1OC 1633185353 AQQOSUHQEWMKBT-JOCHJYFZSA-N 404.507 1.778 30 10 HDEE N#C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CC12CCCC2 1633349383 DKLZXMITZRCDKS-LJQANCHMSA-N 405.476 1.826 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CCCC1 1634505268 TZYQIWLLEMMUPW-OAHLLOKOSA-N 404.536 1.591 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1634645819 FVQNOMRMMBLSFA-UHFFFAOYSA-N 409.490 1.796 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1635446644 ZOVBVKVVZBXIIV-ZBFHGGJFSA-N 424.479 1.344 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2)c1N 1636784124 DGHIZMUISRYZTQ-UHFFFAOYSA-N 421.505 1.272 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCN(O)C1=O 1637464793 JVUKMPINBADRFJ-JTQLQIEISA-N 405.148 1.228 30 10 HDEE CC(=O)c1cc(F)c(O)c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1638880719 FXERYIIWVYKULH-JTQLQIEISA-N 405.407 1.911 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 1638968248 LZCVKZJZVBWTCZ-MRXNPFEDSA-N 422.226 1.968 30 10 HDEE C=CCN(CCOC)C(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1639919669 GRHVSNFBLSGNLK-HNNXBMFYSA-N 416.565 1.948 30 10 HDEE C[C@@H](C#N)N(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 1640986891 GVIYTAAITROKPH-AWEZNQCLSA-N 407.492 1.809 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nnc(C(=O)Nc3ccc(OC)cc3)s2)C1=O 1643385699 QVJXMGLALKMILP-UHFFFAOYSA-N 401.404 1.276 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2cc3ccccc3o2)CC1 1644285137 JDQVVJVIQPEGHP-UHFFFAOYSA-N 413.459 1.048 30 10 HDEE C#CCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@H]1CCS(=O)(=O)C1 1644888946 VXYJDZFYKIMLJJ-LBPRGKRZSA-N 410.839 1.921 30 10 HDEE C#CCN1CCC(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1644948338 PJFACUWVKHSWMW-SFHVURJKSA-N 408.543 1.256 30 10 HDEE C#CCONC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1645285456 KAFNFBRGPMQCPO-UKRRQHHQSA-N 400.294 1.724 30 10 HDEE C[C@@H](C(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1645863785 SAIOZDHZHFYILU-LSDHHAIUSA-N 418.498 1.633 30 10 HDEE COC(=O)[C@@]1(N2CCN(Cc3cc(C#N)ccc3Br)CC2)CCOC1 1647809324 ICESHKZPWURQLZ-GOSISDBHSA-N 408.296 1.770 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1648274095 LMZHLGPMOOXHAS-IKGGRYGDSA-N 420.535 1.157 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1651032464 NPVODICENKGUNA-ZBFHGGJFSA-N 415.494 1.806 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCCN(C)C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1662750994 WNQCGQVEGPYGMU-MRXNPFEDSA-N 409.508 1.290 30 10 HDEE C=CCn1cc(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)nn1 1663990841 MTSIFYUFZJOYPD-UHFFFAOYSA-N 417.491 1.206 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1 1669673383 QXRZJVBXSDZMNP-NVXWUHKLSA-N 404.492 1.535 30 10 HDEE C=CCn1cc(CNC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)nn1 1682651396 IFQRSEHKJDOOPC-UHFFFAOYSA-N 411.510 1.886 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1683309837 PZVAANXZQFNZTL-ICSRJNTNSA-N 419.547 1.782 30 10 HDEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)C1CCOCC1 1684188922 ZDEMEXCLXRATCF-INIZCTEOSA-N 411.549 1.629 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1684424991 IQLWGIZSDWTWER-MRXNPFEDSA-N 405.495 1.972 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC[C@H]21 1686341582 MSMFMNWTITWKMR-YDZRNGNQSA-N 410.474 1.500 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1 1686549272 AOWQEDSGPPKTMQ-UHFFFAOYSA-N 410.352 1.523 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)C2)C(=O)C1 1686854847 GOIPLMWFDFPSTP-BBWFWOEESA-N 419.526 1.932 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)C1 1687593550 TUIQSGHJNAYVEO-DYESRHJHSA-N 406.527 1.505 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCN(C(=O)[C@@H]2CCN(C)[C@@H]2C)CC1 1689682584 OEVJLFWGKSSIDJ-LXDWIVHCSA-N 401.551 1.595 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1689860857 IZOIHCJVCOJNME-LJQANCHMSA-N 410.566 1.872 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689922358 KMISWMZLICUZSJ-OAHLLOKOSA-N 402.476 1.711 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1689924922 ZEFCCZQQUHLTFT-UHFFFAOYSA-N 410.482 1.538 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689978256 QLPQRCOSIBXTCZ-QGZVFWFLSA-N 419.551 1.331 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCC2 1690034610 NDZFCYUIBGZEQW-QFIPXVFZSA-N 423.521 1.368 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccccn2)n1Cc1nnn(C)n1 1690091009 GTJQLSKXMYKTOF-UHFFFAOYSA-N 417.452 1.615 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cc2)CC1 1690146740 VGOXEOZUWSPHDG-GOSISDBHSA-N 411.481 1.935 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1690206464 RTDITRJUMOVXSM-YSGRDPCXSA-N 418.519 1.673 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690251439 VHBZWANMFATEBG-APWZRJJASA-N 423.583 1.730 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCOC)CC1 1690350997 FBKZTXXYKAJUCQ-UHFFFAOYSA-N 424.933 1.132 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCOC2)n1Cc1nnn(C)n1 1690556001 KKYLCCVESKFTSQ-INIZCTEOSA-N 410.482 1.555 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1690659073 JASZBZGHFRKUPC-CQSZACIVSA-N 402.503 1.278 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690697107 PANDCHDNVOTCOU-IAGOWNOFSA-N 409.556 1.751 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1692669298 RUFIJBAPHYTZLZ-FGTMMUONSA-N 417.558 1.811 30 10 HDEE COCC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697954671 YEMZZZOLWGJPPE-KGLIPLIRSA-N 422.511 1.264 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1698284377 DBDBNJBBVRACES-SFHVURJKSA-N 412.494 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCOCCS(C)(=O)=O 1705496325 DNOHPLFAQHUSIR-OAHLLOKOSA-N 408.499 1.527 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705651930 LLQFMWAZZRVYFY-UHFFFAOYSA-N 404.584 1.512 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705652362 WYCDOHLLEFMECT-CVEARBPZSA-N 407.540 1.167 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705695487 XLYSVTPHGRFJTG-WJPUGNRLSA-N 416.526 1.256 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705737462 ROGGDEYEBLOROI-UHFFFAOYSA-N 413.588 1.930 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708081682 FOYBHVBZHYOKMO-NZKCYVOASA-N 400.483 1.892 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CCO[C@H](C#N)C1 1710892697 IPQCKQCWJISFMR-MRXNPFEDSA-N 404.496 1.003 30 10 HDEE CCN(CCC#N)C(=O)CNC[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1717124019 QUDAYDWYSMCWRV-RJJZMVLGSA-N 402.539 1.437 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722294996 ZJUXHAUPYWOISF-MAUKXSAKSA-N 418.505 1.933 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722345633 IQYJNXRGBKTPQT-NRFANRHFSA-N 416.547 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)Cc1ccccc1 1722370467 LGJZNUWURSYFOW-UHFFFAOYSA-N 406.490 1.148 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C 1722390006 NVEBUZHQMCKKKW-KRWDZBQOSA-N 413.547 1.762 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1722409395 PKPYFOQEMBDJQD-UHFFFAOYSA-N 422.580 1.122 30 10 HDEE C#CCSCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1722452330 STRJRTGYKJTHJL-AWEZNQCLSA-N 403.483 1.860 30 10 HDEE Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1726390575 SVWCGQPTQXOFPJ-ZHALLVOQSA-N 406.556 1.921 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1729728177 DDGBNJPVCNMZOI-UHFFFAOYSA-N 407.478 1.625 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1731063171 CMUOEYCOPKCQBB-CXAGYDPISA-N 408.503 1.583 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740575571 UAYCZXYWYGLPCB-BZSNNMDCSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1740626652 XYPKNYALFPOBED-JTHGQSKGSA-N 416.551 1.733 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cnnn1 1740668397 LTVMYELVWWIDTO-UHFFFAOYSA-N 404.438 1.130 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1740672162 XZNXUFGOTNCBEF-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740714540 BRJVGIPTLMHFFO-GDBMZVCRSA-N 403.508 1.010 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOCC)CC1 1740745466 VFGFUFMADRXBMA-OAHLLOKOSA-N 414.348 1.849 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1740774246 PDRKHDUMACKQLI-OAHLLOKOSA-N 411.572 1.745 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1740809302 KIAPRZZSSGZNIJ-UHFFFAOYSA-N 422.917 1.917 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1741285199 OPYACFWDJANZDE-UHFFFAOYSA-N 414.535 1.548 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCCCO1 1741921647 MMAMOMGYCRQFBN-LSDHHAIUSA-N 410.544 1.587 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1742179251 CCFGGCWEEAXRKK-JPWUFHEYSA-N 409.450 1.969 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1743761338 CHOZHAJUZWYHNV-HNNXBMFYSA-N 411.510 1.705 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1745200266 DEHRYRGPRNBRSX-GOEBONIOSA-N 401.515 1.522 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)C(C)(C)C 1748875120 KCKLIWZDDQBXDB-UHFFFAOYSA-N 407.540 1.093 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1748905775 JIPHMZLXVJBGKO-SJORKVTESA-N 424.615 1.858 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2cccs2)N(C)C)CC1 1748987357 UZFDJOGTNASWMG-SFHVURJKSA-N 422.562 1.855 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OC)CC1 1748993376 WOYMHFGITSVBOF-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1749004706 LWISYEXDAYUPHX-NQIIRXRSSA-N 401.511 1.281 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749225942 LUDXRXCIOKSBLP-SJORKVTESA-N 404.515 1.174 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)C1 1749708638 KUBVHEVPXZYYJE-FUHWJXTLSA-N 412.494 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1749725657 UEIHMWAWJYYFCK-UHFFFAOYSA-N 413.507 1.466 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1750081773 MAULOPRCJOKGIB-KRWDZBQOSA-N 422.493 1.483 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1760116895 KYLJPAAJWLMJAA-UONOGXRCSA-N 407.471 1.251 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760129283 IMOARGWRWUXASU-MOPGFXCFSA-N 416.570 1.767 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2cnnn2C)CC1 1760405614 ZNCWPNKLDQLAKI-UHFFFAOYSA-N 412.523 1.849 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1760530316 SGLFMGVMQPXMBA-QGZVFWFLSA-N 421.505 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCCC2)C1 1760541453 CDXQFQXLCJEIFG-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE CC(C)Cc1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761032124 PXDXOPNUSZXDKS-AMGRQBIBSA-N 402.499 1.618 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC(=O)NC 1763740617 FCHQNZHJOWQELN-CQSZACIVSA-N 413.530 1.168 30 10 HDEE CCN(CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](F)(C#N)C1 1766691732 MMWORIFUVCAWNH-IBGZPJMESA-N 404.494 1.479 30 10 HDEE COc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1 1768744434 FXWTWNDQXXRWFS-UHFFFAOYSA-N 408.418 1.315 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC(F)F)CCN1C1CC1 1770748431 OLXFJGHRHQCJDF-GJZGRUSLSA-N 423.468 1.078 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCO[C@@H]2CCOC2)CCO1 1771536794 BZTNQWKVULBKBV-MSOLQXFVSA-N 415.469 1.932 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1772516670 OODXYVHOCORCDB-QFIPXVFZSA-N 411.481 1.526 30 10 HDEE COc1cc(OC)cc(N2C[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)c1 1772790251 LVOUFGOQENBHBS-LBPRGKRZSA-N 410.382 1.811 30 10 HDEE CN(C(=O)C1CN(c2nc3ccccc3s2)C1)C1CN(c2nccnc2C#N)C1 1849256595 BKAITSZEBXXWOS-UHFFFAOYSA-N 405.487 1.741 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1851074098 IOPLWTRPKLUSII-GOSISDBHSA-N 409.939 1.661 30 10 HDEE Cc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC(=O)N2C)cc1 1851111997 KGXVSWXUKNERCK-AZUAARDMSA-N 404.474 1.525 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3Cl)C2)NC1=O 1851652094 XFUHYJBPQJDMPB-LLVKDONJSA-N 402.838 1.322 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853610997 LRJSHUULOIFYJT-IRXDYDNUSA-N 406.527 1.317 30 10 HDEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)ccn1 1853667396 ZOMWVZKQSDFMTC-OAHLLOKOSA-N 409.370 1.534 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854649546 DZTBYGVJECZJFF-TZMCWYRMSA-N 411.430 1.742 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c(=O)n1 1855009886 KMOQJGJIEIRSOC-QZTJIDSGSA-N 411.506 1.394 30 10 HDEE C[C@H](Cn1cnc2ccccc21)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855039450 SLAMDGMOTNVXLH-MSOLQXFVSA-N 408.506 1.331 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@@H]3COc4ccccc4C3)CO2)cc1 1855737100 VQWYYTJUFABTLQ-DLBZAZTESA-N 414.439 1.657 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CCN(CCC#N)C(C)(C)C2=O)COC1(C)C 1855895571 KHORODNMIBCSJW-AWEZNQCLSA-N 408.499 1.721 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)c3cccc(Cl)n3)C2=O)CC1 1856320015 HVSCWMVYUFCLJM-KRWDZBQOSA-N 424.892 1.955 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1856551231 IWLSTSQGKNNCQW-MJGOQNOKSA-N 400.523 1.921 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(-n4cccn4)nn3)C2)CC1 1856982848 CNRZOVCDAQJNTH-KRWDZBQOSA-N 407.478 1.667 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncn3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857050284 HWEIBUAYYITXLG-WMZOPIPTSA-N 413.522 1.317 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868819458 HZKBNGIEVLTOHP-JKSUJKDBSA-N 402.582 1.640 30 10 HDEE C[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1cccc(C#N)c1 1873867131 PZIVSCXJYDQQPU-XIRDDKMYSA-N 405.458 1.876 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)n1 1890105377 VEJPLEXYIPUGNE-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)c1cccnc1C#N)NC(=O)OC(C)(C)C 2118165687 DPMIJVJOAISQJR-JPQMIFPKSA-N 402.498 1.653 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)COC1(C)C 2174783004 XGWUQLOPLOJCAE-KBPBESRZSA-N 402.517 1.428 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CC(C#N)C2)C1(C)C 2174783992 JEGRZRQIRQUDHD-WHDAMIPWSA-N 420.557 1.478 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)N1CCC[C@@H](CC(=O)O)C1 2196997159 KROQVMFNEVJPED-AWEZNQCLSA-N 405.517 1.479 30 10 HDEE CN([C@H]1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1)S(C)(=O)=O 2235429948 SJHWHKVOUQEOLV-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384509 RCTAVZFRWFWKPJ-UHFFFAOYSA-N 408.308 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2243387600 XDBLXUFDCXXIKA-UHFFFAOYSA-N 406.292 1.402 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2243392753 KEXUPWCPKZVBEC-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)n[nH]1 2243666020 XXDVDPSLJSHQLH-UHFFFAOYSA-N 404.276 1.799 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243754417 DBEXUEBWGIBGDW-CYBMUJFWSA-N 411.283 1.817 30 10 HDEE Cc1c(C(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825274 AZBSNFFTZOBHEC-UHFFFAOYSA-N 412.299 1.074 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2247846009 YOTLOLLEXSXYFZ-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857224 RZOMWJHNNWBZIL-GFCCVEGCSA-N 423.323 1.005 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@]3(O)CCCNC3)c2Cl)OC1(C)C 2281936985 UKOSXZOAAYPNHW-QGZVFWFLSA-N 400.737 1.545 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COCC[C@H]3O)cc2Cl)OC1(C)C 2282305070 SVYHTPIUSXINJF-WDEREUQCSA-N 423.749 1.129 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C(CO)[C@H]4C3)cc2Cl)OC1(C)C 2282305333 XFDPUUIFXSDDAE-UWVGGRQHSA-N 419.761 1.560 30 10 HDEE CC[C@H]1CNCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336344 BQJBTKRYAXWYOY-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C 2282492481 OXCPXIBFEAQUOX-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE CC1(C)CC[C@@H](CO)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496738 GTIJSLFOFYKCOB-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE C[C@H]1C[C@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282497994 XMNLEDZBAIDXJV-STQMWFEESA-N 400.375 1.808 30 10 HDEE COC[C@]1(C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506846 YKZUTROUBVMKDD-INIZCTEOSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@]3(C)CO)c2Cl)OC1(C)C 2282642464 NVBASLTVEIJPAB-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE CCNC(=O)CN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282837419 USJWGMNOPHCHFG-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@]2(C)CCO)OC1(C)C 2282840486 NLYCFNLKJMZIMO-QGZVFWFLSA-N 401.359 1.724 30 10 HDEE Cn1ncnc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282845049 MLRSVHWRKKNZSY-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@@H](CCO)C2)OC1(C)C 2282846455 KAXYWRIKCJVUDN-XBXGTLAGSA-N 401.359 1.628 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282846656 MOTDZKHKETURMD-RYUDHWBXSA-N 419.399 1.764 30 10 HDEE CSCC[C@@H](O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859497 NCUMHQBZVYWZIK-LBPRGKRZSA-N 421.415 1.830 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)C[C@H]1O 2282866153 FDCZNPMBMRTTJL-YRGRVCCFSA-N 401.359 1.827 30 10 HDEE COC(=O)[C@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282872363 VNGTVCOGQNUVLZ-VIFPVBQESA-N 403.331 1.504 30 10 HDEE C[S@@](=O)C1CN(C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282969539 DLRGFEVOEDRSFA-AREMUKBSSA-N 401.696 1.981 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(C(=O)O)CCC3)c2)OC1(C)C 2284392692 AIFVAIDGBFXEMV-UHFFFAOYSA-N 401.315 1.581 30 10 HDEE Cc1cc(S(=O)(=O)NOCCCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284400071 RGYDCFSMISJFFI-UHFFFAOYSA-N 405.303 1.430 30 10 HDEE Cn1nnc(Br)c1[C@@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2296290858 IBFVJFSREKXPAM-JQWIXIFHSA-N 400.074 1.753 30 10 HDEE CC(Cl)=CCn1c(NN=Cc2ccc(O)cc2)nc2c1c(=O)n(C)c(=O)n2C 2318581782 NEXNQSMFZPVZMJ-UHFFFAOYSA-N 402.842 1.728 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc2ncc(Br)n2[nH]1 2326729448 QMDNAVQWSRXHLW-JTQLQIEISA-N 408.256 1.769 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2367788283 NKXIQPONLAVBLI-JKSUJKDBSA-N 400.541 1.429 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](COC)NC(=O)OC(C)(C)C 2367797298 UHXTZTQHJGAMSK-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CCCS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 55220126 WRSVAJJNGACILD-UHFFFAOYSA-N 405.929 1.694 30 10 HDEE CCSc1n[nH]c(-n2ccc3c(cnc4c(C(=O)OC)c(C)nn43)c2=O)c1C#N 72466393 JRJVRPLSYNSSSM-UHFFFAOYSA-N 409.431 1.835 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2cccc([N+](=O)[O-])c2)C1=O 101415842 DSAGRJAZFZSSCV-RGEXLXHISA-N 413.375 1.761 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 102756811 HOEKDGIMSQHFRO-LAFOYAEKSA-N 410.474 1.780 30 10 HDEE CCCCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(OCC#N)c(OCC)c1)NC(=O)N2 103183218 ZAOLYMXRARVFEM-INIZCTEOSA-N 413.434 1.862 30 10 HDEE CCCCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(OCC#N)c(OCC)c1)NC(=O)N2 103183220 ZAOLYMXRARVFEM-MRXNPFEDSA-N 413.434 1.862 30 10 HDEE CC(C)(O)C#Cc1ccc(CN2C[C@@H](O)[C@H](N3CCN(c4ccccn4)CC3)C2)cc1 206078932 ODYUAFVNVRILHG-DHIUTWEWSA-N 420.557 1.571 30 10 HDEE NC(=S)NN=C1C[C@H](n2nnn(-c3cccc(Cl)c3)c2=S)[C@H]2CO[C@H]1O2 254566095 CVYJFYQUCKADBU-TUAOUCFPSA-N 411.900 1.327 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]1CO 257511202 PFPNLISKAPWUFU-OUMAAJIKSA-N 406.475 1.402 30 10 HDEE biogenic C=CCNC(=O)NC(=O)CSCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 382412643 IQWVDZWDEZIPNL-CQSZACIVSA-N 409.464 1.501 30 10 HDEE COc1ccccc1CCNC(=O)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 436375976 FANLURCVFZYVHT-UHFFFAOYSA-N 419.445 1.628 30 10 HDEE CCCc1c(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)cnn1-c1cccc(C#N)c1 439684989 UGHHTAVWEDVILZ-INIZCTEOSA-N 416.507 1.981 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1C#N 489019591 RKOBMIKNAZRJKU-UHFFFAOYSA-N 424.479 1.096 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCC(C)(C#N)CC3)CC2)cc1 506012234 INRZXSZFHJHSNZ-SFHVURJKSA-N 418.563 1.842 30 10 HDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1cnc(OC)nc1C 507424673 OGNLKYXARWTTLH-UHFFFAOYSA-N 400.464 1.997 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccnc(C)n3)CC2)c1 544731711 SVHNDVJICIRKBM-UHFFFAOYSA-N 401.492 1.212 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 553864040 KDZYEPVZFHVGQR-UHFFFAOYSA-N 407.474 1.359 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1 557075073 YYFSVMOXBFVHQW-CQSZACIVSA-N 410.396 1.595 30 10 HDEE N#Cc1ccc(N2CCO[C@]3(CCCOC3)C2)nc1N1CCO[C@@]2(CCCOC2)C1 557700805 XHWZOQJRSONNRU-YADHBBJMSA-N 414.506 1.725 30 10 HDEE COc1ccc(N2NOC(=O)/C2=C\C(=NC(=O)c2ccccc2)C(=O)NC2CC2)cc1 585673532 GSYDZMOPMLHXSH-MMQBXJRLSA-N 420.425 1.922 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 588890090 WIWAMOBJHYQFBR-UHFFFAOYSA-N 404.536 1.264 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590342961 XDKNOUACBRWVON-QZTJIDSGSA-N 404.474 1.507 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 590913980 GPADNIJLSCDJFO-KRWDZBQOSA-N 424.526 1.046 30 10 HDEE CN1CCN(Cc2cccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CC1 609255478 BZBQQGXKOGUYLE-UHFFFAOYSA-N 409.465 1.700 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)c1occc1COc1cccc(C#N)c1 610618479 HGKWWCVUWYOMBJ-UHFFFAOYSA-N 403.460 1.838 30 10 HDEE CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCN(c2ncccc2C#N)CC1 619510137 ULHRWPVZMJAPIB-IBGZPJMESA-N 421.501 1.764 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727815102 WXYYVKGXCNLCOC-UHFFFAOYSA-N 411.508 1.612 30 10 HDEE C#CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)[C@@H]1CCS(=O)(=O)C1 729335031 YLTUNEGVARNUNL-QGZVFWFLSA-N 415.519 1.087 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)C)cn1 730143717 CZVQCXPNFAXGRE-OAHLLOKOSA-N 407.540 1.746 30 10 HDEE Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732415643 CURHGUXCJAHLJR-VHEBQXMUSA-N 411.462 1.879 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCN1C1CC1 732649052 ODJKRCPMMABXNU-UYAOXDASSA-N 416.547 1.427 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734293347 RJNPVUBICFAPMX-IBGZPJMESA-N 424.482 1.900 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCOc1cccc(Br)c1 735852321 HQCYYMSBGDTVGA-WUKNDPDISA-N 408.252 1.861 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740179391 TZHFESIBKFOSOP-KSSFIOAISA-N 416.455 1.991 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c1 747546158 GYQPCIRTEADXIK-UHFFFAOYSA-N 408.462 1.683 30 10 HDEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751683618 ARRLMXZMZMNPDB-RHSMWYFYSA-N 422.526 1.922 30 10 HDEE Cc1ccccc1-c1nc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 761005248 UVBRONPHVFNPAO-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)c1 763461212 VBEMVRUVOXHACV-UHFFFAOYSA-N 414.490 1.981 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 767318713 GQXPIJFMHQYQBZ-OALUTQOASA-N 420.531 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 771279865 TZUUWCHMNUUUMP-UHFFFAOYSA-N 423.491 1.668 30 10 HDEE CN(C)c1nc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ns1 771302989 XUTCWHNBLRPUNB-UHFFFAOYSA-N 409.493 1.166 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)[C@H]1CCS(=O)(=O)C1 784477163 UOXABWGEHVCALB-KRWDZBQOSA-N 403.504 1.789 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C#N 785399835 RJISVRUAIMDUCQ-AWEZNQCLSA-N 404.430 1.641 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2cccc(NS(C)(=O)=O)c2)n1 788811461 VBLAFLOLLRLINL-UHFFFAOYSA-N 404.492 1.106 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)N(CC)CC)CC2)n1 790109210 QOUFPGYUVDPCQN-UHFFFAOYSA-N 403.527 1.665 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 802578451 WQWYHEKJFHLOSV-KRWDZBQOSA-N 412.494 1.982 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1 810661890 SMYNTCJLRHDTDP-CYBMUJFWSA-N 403.476 1.721 30 10 HDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)cc1O 1083971817 JMOPDIKCPAAIQY-UHFFFAOYSA-N 403.424 1.992 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1126947904 GMIQJZQCIQFORR-INIZCTEOSA-N 421.519 1.994 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 1129156169 CLOKRGNEXCEHMG-UHFFFAOYSA-N 421.461 1.887 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1 1131113212 FOQAFAXSYLCBDZ-BGYRXZFFSA-N 402.454 1.881 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1131944694 JGNADRHIPPEDNT-HNNXBMFYSA-N 400.447 1.520 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@H]2C(=O)OC)s1 1138138289 STIQOHWVQPKQTO-AWEZNQCLSA-N 400.522 1.699 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1149517784 AOHGLVXONHUYKV-MJGOQNOKSA-N 407.474 1.334 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 1154958667 IKIWANYXNZTBGD-QGZVFWFLSA-N 414.531 1.061 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1177958351 GFZUIYYLTJWPFL-LJQANCHMSA-N 417.506 1.955 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC[C@H]1C 1195454764 HZZMCBXFGUUDQV-OAHLLOKOSA-N 416.494 1.972 30 10 HDEE C#CC[C@@H](CO)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 1202537231 PWGUHVUJZSXBFK-AWEZNQCLSA-N 413.312 1.789 30 10 HDEE CS(=O)(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccccc1CC#N)C2 1208484041 AQRCIEFQJPVJCG-UHFFFAOYSA-N 405.501 1.871 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H]2C1 1251336657 GHMPOVJDPIULKV-VJQRDGCPSA-N 406.483 1.632 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1251874813 SDPMQJQDGIXWKG-UHFFFAOYSA-N 412.515 1.530 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1255063054 RBAVGQCOYBKKMV-OXQOHEQNSA-N 407.515 1.394 30 10 HDEE N#Cc1ccnc(NC(=O)c2ccc(I)cc2-n2cnnn2)c1 1269436561 RARYDWWTUYOQTN-UHFFFAOYSA-N 417.170 1.786 30 10 HDEE C=CCN(CC=C)C(=O)CNC1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1275617161 KWYYMPZKAPOXKD-WNWGJPNASA-N 401.551 1.970 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 1278478714 YDIIVEIDVZZJCT-OAHLLOKOSA-N 416.474 1.860 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286349342 IAFASWOBDPWXNT-SJORKVTESA-N 416.551 1.711 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1286367596 LEBLPZLAKSZCKE-HNNXBMFYSA-N 400.393 1.414 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CN(C)C1=O 1286417057 VPJVYMYKIKXRMR-JOCHJYFZSA-N 407.474 1.417 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1286754969 XZVMANRADFEXGJ-WBVHZDCISA-N 424.571 1.325 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1286767924 KRKMKPSGJPMCPN-DYESRHJHSA-N 417.510 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@](C)(C(N)=O)C1 1286784338 FEACNWCFTSTVCM-QFIPXVFZSA-N 419.489 1.497 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@@]1(OCC)CCOC1 1286793027 PHVIBNXRGXFGQB-NHCUHLMSSA-N 421.542 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286819318 GULZWTXLKOCMGL-WCQYABFASA-N 408.446 1.912 30 10 HDEE CCCN(C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1snc(C)c1C#N 1289083874 JYZKZPMRRLVINZ-XOUADPBQSA-N 402.476 1.619 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)c1OC 1293084116 NUIICQUFPLIPFU-MRXNPFEDSA-N 417.487 1.980 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](CO)[C@H]2CCOC2)C1 1297026150 OBSDHGHHKGAQMM-GXTWGEPZSA-N 408.296 1.518 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nccnc2SCc2ccccc2)CC1 1297516284 FYEZZDYPIJCTNX-UHFFFAOYSA-N 409.515 1.276 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300295979 PRBRHICOISNDKA-IEBWSBKVSA-N 411.554 1.684 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1300307291 DJPWZBWKGFISMD-DZGCQCFKSA-N 405.524 1.935 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1300428520 GZEGACSMDARXEC-NTLWEQJWSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1300502878 ZBKMOAHCTHWRKN-KRWDZBQOSA-N 415.519 1.309 30 10 HDEE C#CCSCCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1300778465 WWVHJMWWJIBEFE-NQIIRXRSSA-N 419.595 1.971 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1301170176 OWVLZAKDCGYBHZ-UHFFFAOYSA-N 415.542 1.864 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301186065 QPQRKKAAEFJSRU-ROUUACIJSA-N 402.543 1.744 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1301262309 SQRFGGHTVBYQLT-ULQDDVLXSA-N 407.515 1.262 30 10 HDEE C=CCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1301467732 HVDNLBGIOGRMIC-UHFFFAOYSA-N 400.527 1.357 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCSC1 1301510410 XEEPREJFVXMYTN-CYBMUJFWSA-N 420.564 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1301577375 IPBUYSBLUSHPPV-UHFFFAOYSA-N 419.507 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@H](C)[C@H]1C 1301589175 OQTSABCUGRVCET-RBSFLKMASA-N 400.570 1.713 30 10 HDEE C=CCC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1303534629 KSKOKZACHAOALP-UHFFFAOYSA-N 403.298 1.267 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 1309870468 OYJNFRYQJQVRGZ-UHFFFAOYSA-N 404.941 1.261 30 10 HDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314477846 UFGNUKZAKNLRAZ-UHFFFAOYSA-N 412.498 1.046 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1315079107 QQARRHLLNNOZHM-HTAPYJJXSA-N 422.489 1.684 30 10 HDEE CO[C@@]1(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOC1 1315283896 VCOLVKUJNBWJRY-OAQYLSRUSA-N 412.494 1.817 30 10 HDEE COCC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1315750454 KEHIUYNNRDUQBQ-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C2(C#N)CCSCC2)CC1 1353282284 WFLOSHKQVAUOBI-UHFFFAOYSA-N 422.576 1.276 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1358946273 OVTLDZGHELOHAX-NYHFZMIOSA-N 422.489 1.284 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358961059 QVLISFMOFVLTIJ-MRXNPFEDSA-N 403.508 1.392 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC)N2CCCC2)CC1 1359028673 ZZRZYTOKNZAUKL-LJQANCHMSA-N 413.570 1.144 30 10 HDEE C=CCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1359290267 RVTJZYMKFGIHAV-FQEVSTJZSA-N 404.515 1.500 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1359291696 AIINVALOIFCTAN-CQSZACIVSA-N 416.457 1.186 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C2CC2)C1 1359327286 XOIVELSFTKDAPY-DKXUYOFUSA-N 406.527 1.944 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(Cl)cc2)n2cccn2)C1=O 1435409186 QQZLONDANXNKJX-HNNXBMFYSA-N 415.837 1.219 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)OCC 1438398486 AGRCXSFALRISDK-INIZCTEOSA-N 419.865 1.249 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1441005599 AAHJGEOPMCKKBT-UHFFFAOYSA-N 404.517 1.428 30 10 HDEE Cn1cc(CNC(=O)CCCCCCS(N)(=O)=O)c(-c2ccc(C#N)cc2)n1 1447594380 JGQSMMYGPKUBTP-UHFFFAOYSA-N 403.508 1.814 30 10 HDEE CN(C(N)=O)c1cccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1448814369 SGEIGSSQZZPYJI-UHFFFAOYSA-N 415.475 1.659 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1 1452947775 NJXSMDNEENIDBW-KRWDZBQOSA-N 405.451 1.753 30 10 HDEE Cc1c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cnn1-c1ccc(O)nn1 1454683344 MKSYYPOVIRCIBU-UHFFFAOYSA-N 404.430 1.984 30 10 HDEE COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C)c1OC 1456118484 ARFJKSATIISFML-AWEZNQCLSA-N 417.487 1.867 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2nnc3c(=O)n(C)ccn23)c1 1460760725 QZJAMABQQBSNGV-QGZVFWFLSA-N 421.505 1.812 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1460822061 YHVNBQFKWLNMIY-CQSZACIVSA-N 400.294 1.864 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)Cn3c(C)cc(C)nc3=O)c(C#N)c2N)cc1 1465600246 WTBASRHILNKLOW-UHFFFAOYSA-N 419.489 1.557 30 10 HDEE CCn1ncc(C)c1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1467021041 HHSSJRYMIBLLFI-UHFFFAOYSA-N 402.480 1.622 30 10 HDEE Cn1c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc2cccc(Cl)c21 1478459724 UFGKDOKRGKZTRY-APPDUMDISA-N 407.883 1.306 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1493687466 CGLKATIAYRDNTJ-QINHECLXSA-N 405.522 1.979 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(N)=O)CCOCC1 1505056349 HQZFLRWAPBIIQA-PMPSAXMXSA-N 420.514 1.023 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1507516927 NQGBWPXGGFQIGG-LSDHHAIUSA-N 405.524 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1507538819 PDNSZECIIOPMMJ-MAUKXSAKSA-N 414.531 1.816 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1507573310 DWIFWADWVYOLRX-UHFFFAOYSA-N 423.525 1.621 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccncc2Cl)CC1 1507721271 ZQAIIVSTXSYNNH-INIZCTEOSA-N 418.929 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C(OC)OC)c2)CC1 1507735785 GZFUPJYTCXZUDN-UHFFFAOYSA-N 411.506 1.892 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCC[C@@H]2C)CC1 1507736795 SAPXWGFZALNVMG-SFHVURJKSA-N 421.549 1.790 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836372 JAFIPADLBVXNDN-DYESRHJHSA-N 419.526 1.334 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507844904 RYHXZMAHGXYRIQ-HOTGVXAUSA-N 404.471 1.644 30 10 HDEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507939958 VYRUOENJQSBZSI-UHFFFAOYSA-N 414.554 1.858 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1507952019 KZYAZKIQPKMMBA-UHFFFAOYSA-N 407.544 1.188 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1508019224 DFNYOPSAJQONHU-GOSISDBHSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CCOC(C)C)CC1 1508080277 NARQPGNEAJNOGQ-UHFFFAOYSA-N 413.526 1.189 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1508092557 RGESKEMKQXVIOM-KRWDZBQOSA-N 415.542 1.963 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@H](C)O[C@@H](C)C1 1509577563 GJICKWGOJIEIQU-IKGGRYGDSA-N 405.547 1.654 30 10 HDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1513495010 JUNHYNMBOOHRQV-JTSKRJEESA-N 424.505 1.870 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1519031317 VYVHAOIOCREJQS-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N[C@](C)(C#N)CN(C)C)CC2=O)cc1OC 1525356310 BGOWRDXCLRFSIZ-HRAATJIYSA-N 402.495 1.055 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1530726125 YZNWXWKJYVKNNM-PBHICJAKSA-N 409.464 1.293 30 10 HDEE C#CCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)[C@H]1CCS(=O)(=O)C1 1537468913 DZSOIDNDVFAKMR-NSHDSACASA-N 400.382 1.319 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1538993283 IAUBKSPKAWKLKU-NSHDSACASA-N 401.272 1.737 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539133524 ZNHYNPMLNGJSIO-QFIPXVFZSA-N 411.554 1.854 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1539147825 KIEXNNXJBXXKRH-PMACEKPBSA-N 407.584 1.825 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CCC(=O)NC 1539153854 BSVQDYRYGXKTOI-UHFFFAOYSA-N 406.284 1.922 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1539194655 DDSLTQQRSVNXFB-UHFFFAOYSA-N 401.442 1.315 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1539215418 BOMYIDMVQMFSJA-HUUCEWRRSA-N 412.606 1.631 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1539340817 SGKSSSZWVVRWPM-UHFFFAOYSA-N 409.494 1.250 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539627179 ICAUSKGOZDYDBY-INMHGKMJSA-N 420.539 1.586 30 10 HDEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539842507 LKWMASTXVQCFJX-UHFFFAOYSA-N 417.495 1.537 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1540049128 HHYKHFZSNOAYCB-NRFANRHFSA-N 405.543 1.806 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1540859775 HBPORWKISQQGAU-UHFFFAOYSA-N 410.478 1.255 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1540868250 XVAUWHIHRXNILD-UHFFFAOYSA-N 416.445 1.177 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1540871672 QLFUHPAVSVAMJL-VGOFRKELSA-N 411.506 1.836 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)C1 1540884468 POOHOWQKKSWAIF-UKRRQHHQSA-N 410.500 1.014 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1540915236 IOHUHDXHOVWNIJ-QGZVFWFLSA-N 422.599 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2CN(C(=O)C3CCCCC3)C2)[C@@H](C#N)C1 1543734200 FJMGOHPCGDKBMB-KRWDZBQOSA-N 404.511 1.997 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C[C@H]1N1CCOCC1 1544715869 UWWONPIGLUAHSM-QFBILLFUSA-N 410.522 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1545289613 CXUVZZZWLWAGGX-CQSZACIVSA-N 424.498 1.330 30 10 HDEE CCN(Cc1ccc2c(c1)OCO2)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1547513854 YUHJZMYHPQBXED-VXPUYCOJSA-N 424.461 1.868 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)c1 1555004070 MBZRRISYNKRRMT-HXUWFJFHSA-N 402.474 1.974 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N(C)C 1555060610 DSRBMNYXSLMDBH-HNNXBMFYSA-N 420.539 1.365 30 10 HDEE CCN(CCC#N)C(=O)CN1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 1560025315 IMNOOJDCJXJPOV-NRFANRHFSA-N 416.526 1.866 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)C(=O)OC 1561640904 VILAZWGJIZOSFN-GFCCVEGCSA-N 417.281 1.559 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)NCc1nc(-c2ccncc2)n[nH]1 1561660778 DLHKUDOBMOFMLB-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)C1 1565345784 YDGNMZDGSQOXKA-HXUWFJFHSA-N 422.533 1.970 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 1569815781 OUEYIIYEFQUNHQ-UHFFFAOYSA-N 403.439 1.011 30 10 HDEE COC(=O)C1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1570565176 KQTFSQDBBBZDQG-UHFFFAOYSA-N 407.492 1.307 30 10 HDEE CN1CCC(N(CCO)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1570863100 WESDCEKUABVNRW-UHFFFAOYSA-N 421.339 1.672 30 10 HDEE C=CCC1(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCOCC1 1583952970 NOVXIHRFYQYCJS-UHFFFAOYSA-N 417.325 1.969 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNS(=O)(=O)c2ccccc2)c1 1583970942 AJYTVOWDYLEWHB-UHFFFAOYSA-N 420.512 1.192 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCO[C@@](C)(C#N)C2)C1=O 1585426479 YOJWYCCVODNRCG-VXKWHMMOSA-N 406.442 1.748 30 10 HDEE C[C@@]1(C(=O)N2CCN(CCC#N)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1587545889 GRBWOQMMLBPFFP-RXVVDRJESA-N 400.479 1.206 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H](COC)OC)c1 1587689504 JCNCVDRGPUXIGR-SFHVURJKSA-N 422.489 1.991 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1587904773 NPQJJCWYDGOLJE-UHFFFAOYSA-N 403.575 1.292 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1588133633 JQMDDTKHAMLQIR-HXUWFJFHSA-N 405.502 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CSCCS1 1588170144 AOCLHMNQRCMXML-MRXNPFEDSA-N 403.577 1.826 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1589060493 SHSQKVAVZFPAGD-INIZCTEOSA-N 416.595 1.701 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1593763517 MTWBGTJMHKZRTH-MRXNPFEDSA-N 405.499 1.383 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCOC2=O)C1 1595706256 JLCWKMICVZVNSS-MRXNPFEDSA-N 400.483 1.907 30 10 HDEE Cn1nc2c(c1C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)CS(=O)(=O)CC2 1596079247 QYDYLPMXKGJGJO-HNNXBMFYSA-N 412.393 1.796 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCCC2)CCO1 1620354948 FANGTDJKCLUHBR-HNNXBMFYSA-N 400.508 1.705 30 10 HDEE C=CCN1CC[C@@H](N2CCC(n3nncc3I)CC2)C1=O 1620421051 ZAKMKWVSGDVMBQ-GFCCVEGCSA-N 401.252 1.307 30 10 HDEE C#C[C@H](CO)NC(=O)c1c(I)ccc(Br)c1F 1625165396 MAMOUMNPWWRENG-ZCFIWIBFSA-N 411.996 1.917 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1627800381 RVVKWWIPVYBXRY-NRFANRHFSA-N 417.529 1.876 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCOCC1 1629478752 QKMZGTAMCFXRLF-MSUUIHNZSA-N 422.482 1.093 30 10 HDEE COCC(=O)Nc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1629666281 SKIZNHMOXKOLHB-UHFFFAOYSA-N 419.434 1.638 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS[C@H]3COCC[C@H]32)s1 1630567148 KUHHCIYFJQSITI-KGLIPLIRSA-N 402.563 1.488 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1631964036 GRSSNPLWTQHOPB-QFIPXVFZSA-N 420.469 1.849 30 10 HDEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1CC(F)(F)F 1632204934 ACXPFIYJRROKHN-NSHDSACASA-N 407.389 1.832 30 10 HDEE C[C@H](C(=O)N(CCC#N)Cc1ccccn1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1632948344 UTEYRBWQWKKONK-MRXNPFEDSA-N 415.494 1.792 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 1632966792 YMNVBMRRGRQCJL-JKSUJKDBSA-N 416.330 1.709 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC(O)(c2ccc(Br)cc2)C1 1633073664 LIYYJDFNLDSQEL-MSUUIHNZSA-N 420.263 1.395 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)cn1 1634631060 KAIQDWIWXGGLOL-NSHDSACASA-N 415.247 1.580 30 10 HDEE O=C(CCCOc1ccc(I)cc1)N[C@H]1CCCN(O)C1=O 1637667716 IDFQMTIDARCWFG-ZDUSSCGKSA-N 418.231 1.947 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1637730128 DTBOVFIYIWEWDG-CSODHUTKSA-N 411.543 1.578 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CS(=O)(=O)CC)cc2)cc1 1638176629 HOEZSALAAUKQGF-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE C=CCCC[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OC 1638395027 LJFZKAUSWNMJEW-INIZCTEOSA-N 406.483 1.274 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1638577287 JTHKVXUNGNFXSY-AWEZNQCLSA-N 407.341 1.801 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](NC(=O)N(C)C)C3)ccc2c1=O 1638944928 AJNXZPNPJZWPDY-AWEZNQCLSA-N 415.519 1.747 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1639092704 QUXAIKOOVZVECR-INIZCTEOSA-N 404.448 1.042 30 10 HDEE COC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1640374416 OQKGNGPRVZJQAB-BBRMVZONSA-N 409.508 1.062 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC12CCOCC2 1641069454 UGUXXSXJLJSRSW-KRWDZBQOSA-N 405.520 1.971 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCCCCO)CC3)n[nH]2)c1C 1642683134 NCVJSNWIXIWALW-UHFFFAOYSA-N 400.527 1.996 30 10 HDEE C=CCc1ccc(OCC(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c(OC)c1 1653539607 FXBWHNRWBICLNQ-INIZCTEOSA-N 413.478 1.202 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)C(=O)OCC)n(C)c2)cc1 1662047666 SBYJLCYQMXKWLD-UHFFFAOYSA-N 404.444 1.261 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 1662794087 SRSBXWYYAKQGCQ-FGTMMUONSA-N 409.504 1.930 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)oc2Br)nn1 1663990836 MKONJBMMKNUBAA-UHFFFAOYSA-N 405.230 1.085 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2F)c1 1666556372 WGGPWESKNVLEPT-UHFFFAOYSA-N 404.419 1.901 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)c1 1673630729 IJILJIDUMMRILU-UHFFFAOYSA-N 413.499 1.893 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 1673643250 HYZUHWVOMVJUPQ-RBUKOAKNSA-N 407.474 1.985 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 1679365449 HWBNZTLJGDVVGK-MRXNPFEDSA-N 400.522 1.159 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CC1 1683180719 ARBQAEKBVJOSAD-IAGOWNOFSA-N 402.520 1.603 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1)C1CCOCC1 1687122625 CAMZNWQGCFDIEW-HKUYNNGSSA-N 423.510 1.706 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1687487339 BKAIVMOMXNBWHI-SAABIXHNSA-N 400.504 1.766 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1689902242 XKLXGPZQMWEQCP-HNNXBMFYSA-N 414.535 1.740 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1689928480 PBGZVAAQETXCSE-MRXNPFEDSA-N 424.509 1.076 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1cccc(F)c1 1690102658 RKSBGJCFRZAOEZ-MAUKXSAKSA-N 415.469 1.922 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1690299086 DOTSCRDRKSMOKB-UHFFFAOYSA-N 409.531 1.844 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1690306800 FPWKPFQTTOGZRB-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1690433006 QTNDTOBUYASYMD-LSDHHAIUSA-N 410.540 1.782 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccn(C)n2)C1 1690684866 QBAKLDQSKLRQEZ-MRXNPFEDSA-N 408.466 1.489 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)CC)C1 1690684961 SHWUSOSNVNVQAO-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)COCCO1 1696688301 LFLZVKKTXSMUNM-QFIPXVFZSA-N 424.505 1.828 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705539522 SZOHXVJERXZYIO-WIYYLYMNSA-N 405.543 1.501 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566702 PNIQKASWQZSSED-HUUCEWRRSA-N 416.494 1.844 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1nnc2n1CCCCC2 1705584726 VMTJSIZKZCPEDI-UHFFFAOYSA-N 400.490 1.703 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc2c[nH]nc2c1 1705585476 TVLLNVKLXPTAPW-UHFFFAOYSA-N 401.474 1.592 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705830027 IDOQIRLSGMPVOW-YLJYHZDGSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1705903113 QNFOXSHCMXDREO-MSOLQXFVSA-N 411.506 1.990 30 10 HDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1706194398 FSMNJMXOHARHSV-INIZCTEOSA-N 401.515 1.080 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1706937580 NMAALMKYKSBOHT-OAHLLOKOSA-N 407.540 1.879 30 10 HDEE CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709037679 USQQVLWIKFNSHL-FMQUCBEESA-N 405.462 1.875 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1709908611 CMGHAHZILMMWMO-GOSISDBHSA-N 412.494 1.822 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCn1ccnn1 1711084320 DAHXSMAQDSYEGT-UHFFFAOYSA-N 419.493 1.704 30 10 HDEE COC1(C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1711613258 PGZVTQBRZAXSIX-HNENSFHCSA-N 423.477 1.015 30 10 HDEE COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1712471202 BBMKZSFMCRQZOV-YWZLYKJASA-N 406.506 1.804 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@@H]2CCO[C@H]2C2CC2)CCOCC1 1719920765 ARWBUXIIGYVGID-UEDWAMCQSA-N 400.519 1.870 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O 1722427329 NHLGWQNGKZRKSI-OAQYLSRUSA-N 415.469 1.561 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2cccs2)CC1 1722439712 MUVRIXTVIWKICQ-QFIPXVFZSA-N 422.558 1.988 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCSC2)CC1 1722442327 YKEYROOEWFCCAH-QFIPXVFZSA-N 411.575 1.687 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1722461605 SMGJRBWRJGTQOW-UHFFFAOYSA-N 416.526 1.836 30 10 HDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1723049594 DKJHDCXTRCRHGH-CVEARBPZSA-N 410.544 1.706 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1726764792 HXSNFCYNAXIMND-WRSAYESZSA-N 404.858 1.262 30 10 HDEE CN(CCC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729513818 KBMMHHHEUBRVIE-DXQAYGFFSA-N 400.483 1.545 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740823766 NWCKMUVQCWXPQI-MSOLQXFVSA-N 402.543 1.742 30 10 HDEE CC(C)(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1741151962 FJDPVSRHYQMVFK-IBGZPJMESA-N 405.478 1.005 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748710737 ZMXATCYMVTYWOG-SFHVURJKSA-N 418.505 1.626 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OCCO)c(OC)c1 1748798583 KKKAFRSBGWZTBZ-UHFFFAOYSA-N 424.505 1.637 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1749040115 NEQGSVJVIASVPS-UHFFFAOYSA-N 419.576 1.644 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1749084762 VDNSCFFMPPMPGA-UHFFFAOYSA-N 411.304 1.136 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1749214469 YCWNULAMSZJEFY-QLFBSQMISA-N 417.601 1.811 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749292307 PRHMEEAUQQZYKI-PXNSSMCTSA-N 424.567 1.910 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749452328 WBWXXSMDDKEAIX-FQEVSTJZSA-N 400.483 1.907 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1749727436 UMRORCWDBAQVLD-LJQANCHMSA-N 419.482 1.996 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1749796430 MDLVUZDTGOXWLQ-RHSMWYFYSA-N 411.466 1.047 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1750172199 BRHGQVIKWZBYJH-CVEARBPZSA-N 409.450 1.030 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1751273852 HXNWWIQFAUKOSK-YWZLYKJASA-N 408.466 1.458 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185445 XDUBOXBKBNJHPK-FUHWJXTLSA-N 417.535 1.335 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1760234099 TXMSXOYXIJAWIQ-KRWDZBQOSA-N 402.520 1.891 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCSC2)CC1 1760254885 OEJYSIGOUGFPCD-OAQYLSRUSA-N 413.547 1.577 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1760322804 XUCVFOXTWODHGY-IKGGRYGDSA-N 412.556 1.634 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC)C1 1760334333 JBBSZLQDNYVBGT-CVYDXHPNSA-N 405.499 1.062 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760432345 HZOPVPOXNBCKOH-GDBMZVCRSA-N 407.544 1.930 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760526561 BYXKUBGNPRNRLL-HXUWFJFHSA-N 402.499 1.344 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCO[C@H]1CCOC1 1763102696 RSWPAIDRPDXIAI-SFHVURJKSA-N 411.510 1.629 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766230766 LZACYXNMVIPMLX-FUHWJXTLSA-N 415.542 1.265 30 10 HDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1768130486 BFDMWXBXCPEKMF-UHFFFAOYSA-N 423.521 1.749 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1768192578 BMPVVDNCZLHKMQ-UHFFFAOYSA-N 416.507 1.077 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C#N 1768282118 ZPUFQJXNQXVMEE-OAHLLOKOSA-N 415.523 1.742 30 10 HDEE COCC[C@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1769559388 DVKKAHBJIGJRRQ-UWJYYQICSA-N 412.494 1.525 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770601938 JLAMSYKXOPPRSC-MXLIYFDZSA-N 423.477 1.482 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)CCO1 1770747161 GIVVQAALYOQFFK-LLVKDONJSA-N 410.381 1.364 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1nnn2c1CO[C@@H](c1ccc(Cl)cc1)C2 1850574330 ZQYKTXCAHLALHS-GOSISDBHSA-N 415.881 1.268 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(COc2ncccc2C#N)CC1 1852983267 XIVWOGLQXBDFJX-QGZVFWFLSA-N 406.508 1.385 30 10 HDEE CC(C)(C)c1ccc(C(N)=NOCCC(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1853462016 IOKBHUOEMFSWRV-UHFFFAOYSA-N 410.540 1.115 30 10 HDEE Cc1nnc(CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C23CCCCC3)n1C 1853771911 CHLAWXLNVRUYCA-UHFFFAOYSA-N 407.478 1.578 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1=O 1853828369 LHFWSYXHUZRTGF-QZTJIDSGSA-N 415.490 1.554 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2=O)cc1C#N 1854028745 JFIOMRWKGIWGGG-UHFFFAOYSA-N 419.409 1.818 30 10 HDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 1854086356 NKRXQMMFOBLZIK-SJLPKXTDSA-N 403.504 1.444 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cccc(Cl)n2)C1=O 1854099509 LVOIMVYGKARCDB-HOTGVXAUSA-N 404.898 1.975 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@H]4CCOC4)C(=O)C3)C2)c(F)c1 1854211454 SYJUIWIXQLWLJA-MJGOQNOKSA-N 414.481 1.369 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854289463 BWKJCCLNTWVPQT-QAPCUYQASA-N 408.462 1.382 30 10 HDEE COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854723248 UBFVYSVPNOLZQE-ZDUSSCGKSA-N 401.444 1.375 30 10 HDEE C[C@@H]1CCN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCS1(=O)=O 1855433718 VOQTUPSQAKKLTC-CRAIPNDOSA-N 403.504 1.589 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccccc2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1 1855634504 WKCPWJDOONWVGM-OAHLLOKOSA-N 411.483 1.835 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCN(CCC#N)C(C)(C)C1=O 1855904895 KPIAGLQABDOYBJ-UHFFFAOYSA-N 408.458 1.823 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)CCCS(=O)(=O)c2ccccc2)C1=O 1856349489 WBVYDWNZQKDZNH-GOSISDBHSA-N 405.520 1.994 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3cncn3)C(=O)C23CCCCC3)c(F)c1 1856555782 JTFWXTNOQODNQW-UHFFFAOYSA-N 410.453 1.863 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H](C)[C@H](COC)C3)ccc21 1856935775 LOAZNYQFGOUNKQ-ZBFHGGJFSA-N 406.504 1.972 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccc(C)cc2)C1)[C@@H]1CCN(C)C1=O 1857105224 UKZQXWZAEGJJCE-AZUAARDMSA-N 413.518 1.858 30 10 HDEE Cc1cc(C)n(C[C@H](C)C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)n1 1857150712 LQWGKIGBROPAQL-QFBILLFUSA-N 400.527 1.185 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1857223910 SFQOQPNJQGHFOE-ZWKOTPCHSA-N 400.523 1.778 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(F)c(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857228599 QRHCJZYOKUHGKC-PXAZEXFGSA-N 409.408 1.811 30 10 HDEE CSCC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866586102 IKAFDFUJGCMJRE-ZBFHGGJFSA-N 409.533 1.559 30 10 HDEE COc1ccccc1C(=O)Nc1c(C#N)nnn1-c1ccc2c(c1)C(=O)N(C)C2=O 1870152172 DTRAMHXGJAXDEW-UHFFFAOYSA-N 402.370 1.626 30 10 HDEE C#CCOc1cn(CCCOCCCC)c(CN2CCN(CCO)CC2)cc1=O 1870559593 INNQZBGGVJTALJ-UHFFFAOYSA-N 405.539 1.177 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2CC=C 1875227778 LMUUSPAKLKUSCA-UHFFFAOYSA-N 404.478 1.968 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H]2C#CCN(C)C)c1 1890870047 SSWCPEATHZOBTG-AZUAARDMSA-N 403.548 1.704 30 10 HDEE N#Cc1ccc(C[S@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 2074703374 WWABYQWWXORNNP-YMGMXPECSA-N 401.444 1.972 30 10 HDEE COC[C@@H](C)NC(=NC[C@@H]1CCC2(COC2)O1)N1CCN(c2cccc(F)n2)CC1 2087918048 NSTJCIKZBMGVSD-SJORKVTESA-N 421.517 1.271 30 10 HDEE N#Cc1cncc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c1 2118165732 FDVYGYIRFURMMK-ZWKOTPCHSA-N 416.459 1.315 30 10 HDEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)CC1(C#N)CCOCC1 2174782415 QDGOJQUHIYKVDF-UHFFFAOYSA-N 405.517 1.158 30 10 HDEE CO[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)N(C(=O)OC(C)(C)C)C1 2174785634 BCHWESWZIIQPRC-HUUCEWRRSA-N 402.517 1.081 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 2174788037 AEDIKEKEDFLNLK-HNNXBMFYSA-N 400.545 1.541 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCCO1 2174789215 NYKOJAQFHXIONU-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2181055011 DJGGMYWVTBRGAP-CYBMUJFWSA-N 419.569 1.562 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243386721 GMAUHEOBCLFKMI-UHFFFAOYSA-N 410.280 1.285 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2243389676 WRDJBAVXSAAKFU-CHWSQXEVSA-N 406.292 1.115 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243687381 XBHFOBSICJLDIB-LSDHHAIUSA-N 408.304 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245257524 BYUBADAEMYWSRX-CSNYQSHPSA-N 410.320 1.910 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1OCc1ccccc1 2247858134 LFWUTSLXUQPRKY-HZPDHXFCSA-N 412.299 1.592 30 10 HDEE C#CC(CO)(CO)NC(=O)c1cc(NC(=O)OC(C)(C)C)ccc1Br 2261459940 WGODXSIRUVKFNV-UHFFFAOYSA-N 413.268 1.883 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269038890 BSAYUANBMZOGEK-QMMMGPOBSA-N 409.722 1.700 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCC1 2270524002 FTVPDVIGMMUJEO-QZTJIDSGSA-N 422.503 1.566 30 10 HDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272087080 VTPMGLRLUFXJIN-UXHICEINSA-N 424.494 1.744 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N)[C@H](C)C1 2282327535 JTOHAOBJYROUPE-YPMHNXCESA-N 400.375 1.714 30 10 HDEE CC(C)N1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282328918 FJGFMVXQKNIREA-CYBMUJFWSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCCO)C3CCC3)s2)OC1(C)C 2282329809 RLGVPCJJQJHPKF-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282352234 LQQBQCCXSGIFNU-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CCC1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)COC1 2282407848 DCUZDDGTPCPBON-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE C#CCN(CC(F)F)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494678 AWPXNANXORWWKU-UHFFFAOYSA-N 406.285 1.472 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)OC1(C)C 2282503161 VSVORDAXGRDUGV-VXGBXAGGSA-N 402.347 1.023 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282517633 BSNNPUHUMGPKCL-PBHICJAKSA-N 402.300 1.994 30 10 HDEE Cn1nc(C(=O)N2CCCC[C@H]2C2(C)OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2282609126 DUOJIFATWINVNG-HNNXBMFYSA-N 405.304 1.477 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282815103 VWCOYAHWBIRJGV-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CCOC(=O)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828958 XMMIFTVBDJQCGP-UHFFFAOYSA-N 403.693 1.481 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCC=CO2)OC1(C)C 2282838092 JDWMWLOAELJLSH-GFCCVEGCSA-N 400.331 1.554 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282846735 NRTNJYPGSGFFPE-VWLOTQADSA-N 401.359 1.174 30 10 HDEE CSC[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282859580 OBYNNYBCXHIPIW-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE CCC[C@](C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284405254 IIBWFGMWBDRURA-INIZCTEOSA-N 403.331 1.969 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccn1C 2327878589 SIQBPCBOJRSSLM-CYBMUJFWSA-N 418.523 1.878 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccnc1 2330718539 BPMXBLYNGMSKST-UHFFFAOYSA-N 409.475 1.922 30 10 HDEE CN[C@@H](C#CC1(OC)CCCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363621529 RRMUIYMSFGJCEI-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE Cc1csc(C#C[C@@H](OCCN)c2nn(C)cc2I)n1 2363689861 XKYFAKFDFSHKRK-LLVKDONJSA-N 402.261 1.858 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)CN(CCN(C)C)C(=O)OC(C)(C)C 2367783160 FEKXASMJPGCVEI-MRXNPFEDSA-N 401.573 1.344 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2367815647 FPIOTVOBNCCSGS-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE Cc1cccc(/N=C(/N)NC2=N[C@H](CC(=O)Nc3ccc4c(c3)OCO4)C(O)=N2)c1 40376182 GZFZESZQKMRZDM-CQSZACIVSA-N 408.418 1.983 30 10 HDEE C[C@@H](NC(=O)c1cc(I)ccc1Br)/C(N)=N/O 235189064 ZRKGRECAHDFGJA-RXMQYKEDSA-N 412.025 1.918 30 10 HDEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 250628461 CFKWVTAALXJAPU-RDJZCZTQSA-N 415.471 1.673 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SCC#N 441240578 XQBDLEIXSBMYGN-DTDBQYNISA-N 417.487 1.666 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cn1 444086834 YOUFOTCDWRIOOK-UHFFFAOYSA-N 413.503 1.293 30 10 HDEE Cc1cc(F)cc2c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c(C#N)cnc12 461452635 VTJRKJBTPGBPEV-UHFFFAOYSA-N 419.482 1.253 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)[C@@H](C)C1 461695771 LZDMMFWEKJENOG-LPHOPBHVSA-N 424.505 1.822 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc(Br)cc1 463308833 NOCSVMSCAVPCIA-YAYDYNKSSA-N 418.247 1.292 30 10 HDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F 481022900 LJJAKRBUDJRSQL-LBPRGKRZSA-N 411.480 1.868 30 10 HDEE COC(=O)[C@@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1cccc(O)c1 497796631 DTHCNSHRMXWIKK-IBGZPJMESA-N 407.430 1.887 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)cc1 501088287 GRDQBWJQKHEFJO-IBGZPJMESA-N 420.579 1.393 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 504147018 YLEWVCYZUFHQBR-IBGZPJMESA-N 406.442 1.608 30 10 HDEE C=CCn1c(COCc2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508802329 PWNKVQIULOGTBY-UHFFFAOYSA-N 421.505 1.601 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508884842 KELIBJDWYCWYBX-UHFFFAOYSA-N 412.538 1.686 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 537578900 WSTBZZJBEAKHAN-UHFFFAOYSA-N 402.432 1.653 30 10 HDEE COc1ccc(Cn2nccc2NC(=O)[C@@H](C)n2cnc(C#N)n2)c(OC)c1OC 538405394 MNWBRJNFEKXTLQ-GFCCVEGCSA-N 411.422 1.620 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(c2nccn(C)c2=O)CC1 542426751 BOEJTNMFMDCMJW-UHFFFAOYSA-N 412.450 1.031 30 10 HDEE CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 545466645 BTRRITLKLRZJQW-UHFFFAOYSA-N 404.448 1.406 30 10 HDEE Cc1nccc(N2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n1 546112524 NCRFPLVKMMNTRQ-UHFFFAOYSA-N 406.425 2.336 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 557977418 KFPSKVXOKOGRLM-SJLPKXTDSA-N 408.524 1.349 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 565527235 FQXWXARWSNJCIQ-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1 567655309 NYGAZBJPHRSDCL-AWEZNQCLSA-N 420.441 1.510 30 10 HDEE Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 569626286 CWTKEOMJCGDALM-UHFFFAOYSA-N 416.507 1.270 30 10 HDEE C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 587415993 JEMAOPQLPRTDFJ-SMDDNHRTSA-N 405.398 1.670 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 611430188 OLMXKYVPNRDELX-GOSISDBHSA-N 406.552 1.320 30 10 HDEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)c(F)c1 619668868 PHQNSPPFWTUBRS-UHFFFAOYSA-N 412.393 1.753 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)NCc2cc3cccnc3cc2Br)CCO1 619712416 WGKICNKTIAOUOM-ZDUSSCGKSA-N 411.281 1.556 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1 679532531 WQIYAFOHDHXCHH-UHFFFAOYSA-N 423.535 1.817 30 10 HDEE N#C[C@@H]1CNCCN1C(=O)c1ccc(I)c(Br)c1 721592962 IFPISBSTBVBWEU-SECBINFHSA-N 420.048 1.991 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cnn3ccccc23)c1=O 729669316 KQGWGHNJQKODTP-HNNXBMFYSA-N 424.526 1.712 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCN1C1CC1 732673584 AEEQCTKSVIMFPG-LJQANCHMSA-N 411.506 1.268 30 10 HDEE CC(C)Cn1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732910802 VFEWIDHDKQNBPW-INIZCTEOSA-N 401.488 1.877 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 746314724 GDEAPQRWPXBMNI-HTXNQAPBSA-N 411.397 1.534 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 747237444 JPJIBCJQHCBNJS-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C#CCN1CCN(C(=O)CONC(=N)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 749874070 JYCIASUVCSXJFY-INIZCTEOSA-N 409.531 1.202 30 10 HDEE COc1ccc(CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1C#N 752186599 AXECLSJDENSEOE-CQSZACIVSA-N 409.489 1.262 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC1CCN(c2ccncn2)CC1 752577874 IPOQSHXPRXATBV-AWEZNQCLSA-N 415.475 1.227 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O)C1CC1 753986780 BWBRSGFOLAJGMG-QKKBWIMNSA-N 411.462 1.992 30 10 HDEE COCCN(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C 760409847 WBSLGEXAQVGQDE-UHFFFAOYSA-N 417.528 1.790 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)c1 760913660 BYEWBMPGAXEYFN-GOSISDBHSA-N 417.531 1.509 30 10 HDEE C#CCN(C(=O)Nc1ccccc1N1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 773312870 BWOXCUNEOOCHAR-KRWDZBQOSA-N 404.536 1.483 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778818129 RDIVKDFKRAAZKG-SFHVURJKSA-N 413.455 1.896 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(N=Cc3c(Br)cnn3C)C2=O)c1 782168582 IZHCIEHPVSOGSK-MRXNPFEDSA-N 406.240 1.992 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1C#N 785599746 GBTTZQAOEWOQMP-LJQANCHMSA-N 421.432 1.961 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2scnc2C)c1 787683207 JQZLKUXEGVMEMN-UHFFFAOYSA-N 407.517 1.652 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)n1 788330811 IPRIHOWCPGNXBT-FQEVSTJZSA-N 410.474 1.696 30 10 HDEE COc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1C#N 792738317 AOMFSWXFYJZNRG-GOSISDBHSA-N 422.533 1.503 30 10 HDEE N#Cc1cnn(CCOC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)c1N 798825961 NJKCXUFOGRCWHE-RBUKOAKNSA-N 406.446 1.903 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c(Cl)cccc1Br 800930049 BSMQGVKPCIMCCJ-UHFFFAOYSA-N 402.719 1.982 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NCCc3ccncc3)cc2C1=O 805977523 RMVAVYCZBJANAB-AWEZNQCLSA-N 407.426 1.768 30 10 HDEE C#CCN(c1nnc(-c2ccoc2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812431112 ZCMSFUFTIHHKIM-DLBZAZTESA-N 404.492 1.734 30 10 HDEE COC(=O)[C@H](OC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 812692647 UMDVOIOCGYQBRV-LJQANCHMSA-N 407.426 1.664 30 10 HDEE Cc1ccc(NC(=O)COC(=O)c2cscc2C#N)cc1S(=O)(=O)N(C)C 814613790 UIBFDYQRJBLJIA-UHFFFAOYSA-N 407.473 1.974 30 10 HDEE N#Cc1cscc1C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 814616271 ZMUJSYPUFOGWTB-UHFFFAOYSA-N 422.484 1.876 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)cc1 816696580 BHSDITOCYNXHJJ-KRWDZBQOSA-N 419.459 1.606 30 10 HDEE COC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 920336934 XKMRGMDHAJWPDB-CYBMUJFWSA-N 402.428 1.758 30 10 HDEE Cc1nc(=NC(=O)Cn2ncc(Br)c2C)n(-c2ccc(C#N)cc2)[nH]1 1126418198 UPLPIQASRLFURN-UHFFFAOYSA-N 400.240 1.775 30 10 HDEE COc1cc(CN2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc(OC)c1OC 1126629455 KUEJCINCHPAZFS-OAQYLSRUSA-N 403.479 1.677 30 10 HDEE C=CCOc1cccnc1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1133532293 ZFJTYWPRIIARIO-UHFFFAOYSA-N 414.466 1.960 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2=CCCN(C(=O)OC(C)(C)C)CC2)CC1 1136632890 RGGSTTDLAPNSFR-UHFFFAOYSA-N 418.538 1.227 30 10 HDEE C#CCOc1ccccc1NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1138309003 IHGZXNGBCAAJFB-UHFFFAOYSA-N 407.430 1.372 30 10 HDEE C=CCOC[C@H](NC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC 1139176046 QOCILOMTGOVLIE-CABCVRRESA-N 414.499 1.557 30 10 HDEE Cc1ccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)cc1S(=O)(=O)NCC#N 1141596312 XJGXAUJHMQMUNH-MRXNPFEDSA-N 420.535 1.122 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)C1CSC1 1146874843 YBFLNULHSCCTCY-UHFFFAOYSA-N 412.533 1.340 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](CC(N)=O)C2)C1 1149160231 HUBSCDOIGOMKCC-LBPRGKRZSA-N 405.296 1.871 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 1156163976 ICKGVHPRIHAQTB-MRXNPFEDSA-N 415.556 1.614 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)C(=O)OC 1161364937 KYWCDMMTAIMVEG-DAYGRLMNSA-N 406.504 1.648 30 10 HDEE C[C@H](CC(=O)NCc1cn(C2CCC2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 1164176385 SZYGBHGOTALVEE-GFCCVEGCSA-N 402.480 1.137 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 1168858106 XFDVOEHDPSFFIV-FZKQIMNGSA-N 412.471 1.815 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3nc(O)c4c(n3)CCOC4)n[nH]2)c1C 1175214639 RBCCSPPQLBBOBX-UHFFFAOYSA-N 409.450 1.574 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1C[C@H]2CCC[C@H]2C1 1181803110 SQHCCWHGVJCRBQ-UXLLHSPISA-N 404.536 1.903 30 10 HDEE CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N2CCO[C@H](C#N)C2)c1 1209229869 CHGGQRUITFJSIQ-GFCCVEGCSA-N 417.281 1.847 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1213278899 PMDOWMNLUXKGJN-SECBINFHSA-N 408.245 1.691 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1)[C@H]1CCS(=O)(=O)C1 1218747142 KCWJHYPUIGUXJV-HOTGVXAUSA-N 418.475 1.176 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 1227412730 ZMFIXAZHLIRKDD-HNNXBMFYSA-N 402.432 1.547 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CC1 1251451424 ZGTPSXNXVODBGN-CQSZACIVSA-N 411.441 1.303 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)c1ccc(Br)cc1 1252458912 NKOVPYJWODQRNH-OSAQELSMSA-N 414.325 1.689 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1253779319 OFVNTPPMFHQDCF-NRFANRHFSA-N 414.550 1.695 30 10 HDEE C[C@@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)N1C(=O)NC2(CCCC2)C1=O 1277745835 JTRNRCPUTQNDBP-INIZCTEOSA-N 423.517 1.892 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1286388708 AUFOVGBUQFSPIT-LJQANCHMSA-N 414.531 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1286409844 UCNYWUNFPCIRBP-UHFFFAOYSA-N 421.892 1.806 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1286437573 OWXWGDRXDYBFPU-LJQANCHMSA-N 412.556 1.603 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CCCO1 1286457549 RNJHUVBELYSJFX-NHCUHLMSSA-N 406.527 1.974 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CCCO1 1286457552 RNJHUVBELYSJFX-SFTDATJTSA-N 406.527 1.974 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](F)COC)CC1 1286477189 QXJAJSZHFBEPNO-LJQANCHMSA-N 423.496 1.871 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)c(O)c2)CC1 1286482466 RQHLUJACFRETOL-UHFFFAOYSA-N 418.501 1.782 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286490282 PKVCDRYUVWRAJV-YLJYHZDGSA-N 422.533 1.857 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1286606031 DXYIZRDTLNLIQL-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1286717256 YXZKWQPXKKAMKZ-UHFFFAOYSA-N 405.524 1.631 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1)C1CC1 1286738556 WVHDWOZTHOAJEF-RMKBEBRYSA-N 412.581 1.636 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1 1286784464 IFIXEVDLEVLXNT-HNNXBMFYSA-N 413.478 1.645 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286823031 QUBQUPMUJLRMFM-KRWDZBQOSA-N 417.535 1.884 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccccc1 1288117820 XKWUDZUDMYQDJF-UHFFFAOYSA-N 417.473 2.000 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cnnn2C)CCOC1 1288311808 FWALUYLCPNIBFM-PMACEKPBSA-N 414.514 1.626 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCSC 1297287992 PCBSPRXPONUYBN-OAHLLOKOSA-N 416.555 1.944 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1298326819 AGTBJUVNKORZDN-IRXDYDNUSA-N 421.505 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1300545308 NRNWZPGTICKHRV-UHFFFAOYSA-N 414.473 1.102 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC(C)C)CC2)CC1 1300699474 DDVPAEUZSODZJD-GOSISDBHSA-N 419.595 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1300885676 RTZQNPSFQNELTL-WTGUMLROSA-N 419.570 1.920 30 10 HDEE COCC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1300890771 OPICHBMJPHXBCJ-QGZVFWFLSA-N 414.466 1.328 30 10 HDEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CC1 1301086328 HVGIKWFAHKEPFD-KRWDZBQOSA-N 419.507 1.496 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301222896 IUJHJAGVVASCEO-GOEBONIOSA-N 422.555 1.187 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC(=O)N1 1301278515 MZEXVSASQJUWAJ-OAHLLOKOSA-N 418.523 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](OCCOC)C1 1301491287 OCSJKPQYUMWBPS-MRXNPFEDSA-N 402.499 1.218 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1301551045 NPVSOOZHQXYKGI-JOCHJYFZSA-N 400.523 1.396 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cnn(C)n2)C1 1301558441 VQBWWOAXEVTMPQ-WMZOPIPTSA-N 401.515 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CCOC2)C1 1301586726 INGHZOYNUXQHBR-HXUWFJFHSA-N 417.535 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCCOC2)C1 1301589506 TZDKSQZWAFSXSX-VQIMIIECSA-N 410.540 1.390 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1302845783 AQQMPOYRAMSVKC-KRWDZBQOSA-N 409.494 1.973 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(C)C)CC1 1303550610 UBNDAUGJXSCGSC-QGZVFWFLSA-N 410.559 1.859 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)CC1 1303942593 VOADVQDXJDONEA-KRWDZBQOSA-N 416.526 1.945 30 10 HDEE CCc1nnc(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1306106662 WGCCUJUKZCELML-HNAYVOBHSA-N 411.510 1.342 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCN3C3CCOCC3)ccc2c1=O 1306899660 OOABLMZILWKWNS-INIZCTEOSA-N 414.531 1.854 30 10 HDEE C=CCN1CC[C@@H](N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1=O 1308027940 IUWSEXUJBIUQOS-VQHPVUNQSA-N 420.510 1.288 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F 1309654403 KIIQLFPINVLSGS-UHFFFAOYSA-N 403.403 1.717 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)cc1 1310168083 KWKKGVWJXGGHMX-KRWDZBQOSA-N 402.455 1.297 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1312538956 OBKTTZMTBDOTTF-UHFFFAOYSA-N 406.508 1.910 30 10 HDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1315813778 BDCHVDBAKFTPEH-QGZVFWFLSA-N 422.468 1.918 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)C1 1316526662 APAVLBUIPIIFNN-HXUWFJFHSA-N 410.457 1.629 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(C)CN(C)C1=O 1359025151 FBNWUBALDJGFRI-OAQYLSRUSA-N 417.460 1.711 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1359044813 PDNBNAYBLPRWKM-KBAYOESNSA-N 403.502 1.886 30 10 HDEE C=CCN(C(=O)c1nc(N(C)C)ncc1Br)[C@H]1CCS(=O)(=O)C1 1435067798 BDMPEAKUGXDZAX-JTQLQIEISA-N 403.302 1.120 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(CNC(=O)C(F)(F)F)o3)CC2)c1 1440872786 ADKQVCAXGXMRIJ-UHFFFAOYSA-N 407.352 1.687 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2sc(SC3CCCC3)nc2C)CC1 1449059251 IOKABLLQDPCIEZ-UHFFFAOYSA-N 420.604 1.922 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2)nc1 1456059477 HORXQVUQSNRVOA-VQIMIIECSA-N 417.473 1.476 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nn(CC)cc2C(=O)OCC)cc1 1457014679 IODNLQSTZDFGCZ-UHFFFAOYSA-N 406.464 1.796 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC(C)C)c2)CC1 1460026146 IESLGDYTTUMHSN-UHFFFAOYSA-N 411.455 1.431 30 10 HDEE C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460883281 QEGWNZJLOMZLNC-CKFHNAJUSA-N 418.544 1.513 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1461949489 UWUPDUQESLYNLH-ZDUSSCGKSA-N 407.264 1.980 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1 1463461180 DDDWQVZMPVOROW-UHFFFAOYSA-N 416.478 1.837 30 10 HDEE N#Cc1cn(CC(=O)NC[C@H](c2c(F)cccc2Cl)N2CCCC2)c(=O)nc1O 1464127227 CCSKMSNQPPGGLU-OAHLLOKOSA-N 419.844 1.566 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ncco3)ccc2C)CC1 1466076856 HVPUNVCMNFTOGG-UHFFFAOYSA-N 403.464 1.267 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N(CCO)C1CCSCC1 1467644315 CDPBZCCAZVRPFZ-UHFFFAOYSA-N 411.549 1.222 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)c(=O)nc1O 1469541427 CAHYTQIPCYDEHV-CQSZACIVSA-N 403.826 1.687 30 10 HDEE CCN1C[C@H](CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1470721167 WURMQMFKXLWCQK-INIZCTEOSA-N 423.521 1.735 30 10 HDEE C#CCN1CCC(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 1471938665 USSHKGLOOHPLHH-UHFFFAOYSA-N 402.520 1.061 30 10 HDEE N#Cc1cn(C2CN(C(=O)CN(Cc3ccccc3)c3ccccc3)C2)c(=O)nc1O 1472370107 CRJOAEQVHBXHDY-UHFFFAOYSA-N 415.453 1.911 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCNC(=O)c3ccc4ccccc4c3)C2)c(=O)nc1O 1472371220 VUSIIJWTNFVMPM-UHFFFAOYSA-N 417.425 1.177 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 1475464959 GEKVAVRODRPTDZ-CYBMUJFWSA-N 423.491 1.495 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1)C1CCOCC1 1479007479 KDKRYVLCDIKUDB-LJQANCHMSA-N 414.506 1.908 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCc2ccco2)n1 1492509951 CEQIRCGYSFKQBH-FQEVSTJZSA-N 409.425 2.000 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1492908355 KHSLDWLOWRZUJN-FQEVSTJZSA-N 412.567 1.617 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(Cl)cn1 1507642511 VZUMPENNUYVALT-HXUWFJFHSA-N 416.913 1.942 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CC1 1507671232 GBEBAOPWYKZMID-UHFFFAOYSA-N 402.545 1.971 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1NC(=O)CC1(C)C 1507713585 PMYQXEOTJRMCAC-KRWDZBQOSA-N 413.526 1.140 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN(C)C(C)C)CC1 1507715687 GZNNQOWWWACXDS-UHFFFAOYSA-N 424.553 1.411 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCn2ccnc2C)CC1 1507724401 DYMZRCCVWPGCBR-UHFFFAOYSA-N 405.506 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCOCCN(C)C)CC1 1507734184 SQEPVQGDHSVZJC-UHFFFAOYSA-N 404.559 1.120 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COCCO1 1507997750 XKPKJJSSJRFJFV-LJQANCHMSA-N 424.505 1.896 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC 1508000336 USCPFQPLNFHWPU-QGZVFWFLSA-N 407.478 1.430 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(COC)CC1 1508097742 SXXSHPZJDLWNQM-WMZOPIPTSA-N 405.499 1.087 30 10 HDEE Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c(=O)n1C 1510897045 FWZIVKZRCGBCOC-UHFFFAOYSA-N 409.494 1.196 30 10 HDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2)cc1OC 1516275485 DGUNPLLSUTYCLJ-QGZVFWFLSA-N 423.477 1.863 30 10 HDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1516723969 DDEQLYBYEOLFRS-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N[C@@](C)(C#N)CCc3ccccc3)CC2=O)cn1 1518037966 YXTZIOYRJNBIQN-XMSQKQJNSA-N 409.490 1.914 30 10 HDEE C=CCCn1cc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 1523877119 GQLWPOBDKYEZBF-UHFFFAOYSA-N 401.851 1.355 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@@H]2CCCCN2Cc2ccccc2)C1=O 1533930869 XKHPQEKUCZLUSZ-SFHVURJKSA-N 412.490 1.476 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nnn(C(C)(C)C)n2)cc1 1534146321 GBPPCJBVZFDPTI-JWGURIENSA-N 419.511 1.422 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)C3(C#N)CCSCC3)c2)CC1 1534893029 QFVMIBJWFACPAO-UHFFFAOYSA-N 408.549 1.598 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)OCC 1535090924 KGOWWPJNWVAEAA-IFXJQAMLSA-N 407.854 1.644 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(Br)c(F)c3)C[C@H]1CS(=O)(=O)C2 1538761191 SRFQUTVODBPBEH-XHDPSFHLSA-N 401.257 1.527 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C 1539029941 MZOHRXJRGDTFIT-IQUTYRLHSA-N 403.508 1.267 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1539119037 GAXGESZOYVTKFR-GOSISDBHSA-N 406.494 1.594 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539119230 IQPASRGKBNFUOI-QVKFZJNVSA-N 414.510 1.400 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CC1 1539149817 VRBAWCIZYGGYER-MRXNPFEDSA-N 401.536 1.998 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1539222571 WQRNPOLBWOQJBG-IAGOWNOFSA-N 424.567 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1539441006 HVYUVIRKFUGQNO-GOSISDBHSA-N 412.444 1.996 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)NCC2CC2)CC1 1539454015 UTUZAKGSIXPEQQ-UHFFFAOYSA-N 406.534 1.459 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539510388 HVOPXWGOODSXAK-UHFFFAOYSA-N 421.530 1.671 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CCOC 1539668688 CEUHQEWNURYXGY-YJBOKZPZSA-N 400.545 1.370 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 1540472148 FHWWXSHBTGGHHU-GOSISDBHSA-N 410.515 1.774 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C)C(C)(C)C2)C1 1540896426 LLOTXMACQSOISX-RBUKOAKNSA-N 418.586 1.937 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1547311873 KHTHORIXYMCSTR-CVEARBPZSA-N 410.434 1.409 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1552417659 RQLKHDWAJQJERZ-OLILMLBXSA-N 412.519 1.444 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)C(C)(C)C 1555558810 FYMIHQBWWWIZJI-OAHLLOKOSA-N 413.544 1.709 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1555780855 DWXRPUPUJDVXKI-KRWDZBQOSA-N 410.478 1.324 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 1557252805 WIIQGFFYVQHGAH-TZMCWYRMSA-N 405.398 1.453 30 10 HDEE N#Cc1ncc(NC[C@H](O)COc2ccc(I)cc2)nc1C#N 1559095552 GKPGHKSNGOFYFV-NSHDSACASA-N 421.198 1.676 30 10 HDEE CC[C@H](C)[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(N)=O 1560138093 BCIUASPDYXIQGO-AVYPCKFXSA-N 415.538 1.846 30 10 HDEE C=CCCn1cc(CN2CCN(c3ncc(Br)c(OC)n3)CC2)nn1 1560653882 VKORYGQBIMHDDY-UHFFFAOYSA-N 408.304 1.738 30 10 HDEE COC(=O)CCc1csc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1562493711 CPGRAVANHMRRAA-UHFFFAOYSA-N 400.464 1.869 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCC1CCN(CC#N)CC1 1565738257 OMRULDWEBGWKGK-AEFFLSMTSA-N 421.586 1.564 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(CC#N)CC2)C[C@@H]1[C@@H]1CCCO1 1565814884 MAXINAPNCUYMDQ-KSZLIROESA-N 406.527 1.849 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCc3nnc4n3CCCC4)CC2=O)cc1Cl 1566758719 HCQJCSSRNONJRD-CQSZACIVSA-N 412.881 1.851 30 10 HDEE C=CCOC[C@H](NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)C(=O)OC 1568154216 CZNWJKYWNRCGPH-LBPRGKRZSA-N 413.496 1.684 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)C1 1570830457 BIQATTWTIQPLRB-QGZVFWFLSA-N 416.478 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC(=O)N=c2cc[nH]cc2)CC1 1584710675 WNWUNMOBYHGLOE-UHFFFAOYSA-N 400.479 1.599 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CC(=O)OC)cc2)c1 1585745697 PAZRQYHANBTHNS-UHFFFAOYSA-N 400.456 1.244 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)s1 1586431072 IDLWYAIWUJVELC-QAPCUYQASA-N 416.565 1.173 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 1586904958 YUTJOJFCWGBSER-CYBMUJFWSA-N 402.192 1.773 30 10 HDEE N#Cc1cc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cnc1C(F)(F)F 1587429899 YVEPFFOSEYJVEG-LBPRGKRZSA-N 402.340 1.418 30 10 HDEE N#CCCN1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1587545736 AYSKPPCPIUQSRX-UHFFFAOYSA-N 402.211 1.684 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1587856201 IBZNIKUBSDBBIW-QGZVFWFLSA-N 421.567 1.336 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1588105366 VZXGFLCFKOSSRO-CZIZESTLSA-N 404.430 1.446 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(OC)c1 1588628962 RKVQJGPRDCQHJY-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C)N2CCCCC2)CC1 1588806444 QTWDVFLBSHXWKT-OALUTQOASA-N 413.570 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CC=CCC2)CC1 1588929654 FAWGLDJKUJZBKT-LJQANCHMSA-N 412.538 1.010 30 10 HDEE C=C1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1594115565 UTNXUQOBLPDZKQ-SFHVURJKSA-N 408.549 1.636 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1594807070 CQKZPRSOTMAQMS-IAGYGMIVSA-N 419.526 1.595 30 10 HDEE N#Cc1c(CCCNC(=O)C2=C[S@@](=O)CCC2)nn(-c2ccc(F)cc2)c1N 1595532351 APGDTYMHHXBMOH-NDEPHWFRSA-N 401.467 1.940 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1595595031 QHANSYIDICEFFN-UHFFFAOYSA-N 415.542 1.847 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)C1 1595723331 VHAWFHVBKZJDPW-SJORKVTESA-N 424.567 1.921 30 10 HDEE COc1cc(CCC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc(OC)c1O 1596094493 ZOODUUKPDXTZCZ-AWEZNQCLSA-N 411.462 1.741 30 10 HDEE C=CCCn1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)nn1 1607436353 HEFXRJNCZGPQHG-LJQANCHMSA-N 410.522 1.359 30 10 HDEE Cc1nnsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1611875676 BDNVYPTUTMYXIL-MLGOLLRUSA-N 424.556 1.227 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nc(C)ncc2I)n1 1612336107 VRSLVZPSWOUNHT-UHFFFAOYSA-N 411.247 1.872 30 10 HDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1618791657 LOAHUBNIMCYZFB-UHFFFAOYSA-N 415.559 1.353 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)cn1 1618800758 RGHVENGOJWFKEW-KRWDZBQOSA-N 409.446 1.600 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCOCC1(C)C 1619912952 QNHYEOFCXOEPOK-SFHVURJKSA-N 420.558 1.649 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1620635815 ZUGCENVWVMRVQX-IPELMVKDSA-N 413.540 1.009 30 10 HDEE N#Cc1c(CCCNC(=O)c2noc3c2COCC3)nn(-c2ccc(F)cc2)c1N 1624379892 GNZWUBXNKRNXKQ-UHFFFAOYSA-N 410.409 1.889 30 10 HDEE C=CCn1cc(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)nn1 1624952658 MGWUBJARVKQGLF-QGZVFWFLSA-N 401.467 1.285 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 1625140198 RURRSVQUUAVUED-CYBMUJFWSA-N 401.419 1.658 30 10 HDEE C#Cc1ccccc1CC(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1628968787 YCNJEUQSRMZYRV-UHFFFAOYSA-N 403.482 1.897 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1629069422 UENANMATZPTCBE-DLBZAZTESA-N 415.494 1.532 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 1632960513 IKBWYYVSAPGRSY-UHFFFAOYSA-N 404.319 1.538 30 10 HDEE C=CC1(CC(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1633058500 AQQCGWRFFGNHJO-HUUCEWRRSA-N 424.494 1.753 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)c1 1633482598 GPHCFZKQOWZHKH-UHFFFAOYSA-N 404.423 1.939 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCO[C@H](CN2CCOCC2)C1)c1ccccc1 1634426971 CILVFUWCXDBQQL-HXUWFJFHSA-N 414.506 1.273 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CC2(C1)OCCO2 1637656332 ICAOECURPNIOGQ-INIZCTEOSA-N 421.519 1.553 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@@H](C)[C@@H](C(=O)OCC)[C@@H](C)C[C@H]1C)c1cc[nH]n1 1637764412 AAFXTWGLHMEOAN-LOUJCGABSA-N 422.482 1.518 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)s1 1638123851 NXTZFOLHTCVLMF-INIZCTEOSA-N 411.480 1.237 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC[C@H]3[C@H](C)n4nccc4N[C@@H]3C)CC2)c1C#N 1638689811 LNXCKJBPATUQHQ-HYVNUMGLSA-N 410.526 1.917 30 10 HDEE Cc1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1640216311 MSAKPJKLMXCRBX-UHFFFAOYSA-N 420.535 1.170 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)CCCN1C(=O)OC(C)(C)C 1642969786 JIALEIMNQKCHKS-NHCUHLMSSA-N 419.478 1.700 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1647752590 VWRNZGAQBWBRRK-FQEVSTJZSA-N 400.523 1.660 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1650972002 FEDOYWBHFPCNIQ-KGLIPLIRSA-N 414.480 1.053 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cc(Br)ccc3F)C2)c(=O)nc1O 1653760576 XUBINRSGFFETNJ-UHFFFAOYSA-N 407.199 1.348 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3ccc(N4CCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1655683902 QXBDPHICUVEDOW-JXFKEZNVSA-N 402.520 1.486 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@H](CS(C)(=O)=O)C1 1655740655 ZLTANQBZYVSJIZ-GJZGRUSLSA-N 411.549 1.765 30 10 HDEE N#Cc1cnn2c(O)cc(CN3C[C@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)nc12 1656529979 NBKNITGQRWSFJT-ABAIWWIYSA-N 415.397 1.248 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1660692677 BTBKFGGRFUCZHI-LBPRGKRZSA-N 413.452 1.508 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1663018675 FHTJTQYTWVHZRZ-LBPRGKRZSA-N 404.282 1.597 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)OC 1663037239 CXOGEJOPCQTFHM-CYBMUJFWSA-N 424.397 1.001 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)cc1Br 1670161195 IBNAAQSVNFMBOE-GXFFZTMASA-N 400.254 1.440 30 10 HDEE C#CCN(C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)[C@H]1CCS(=O)(=O)C1 1676207350 SESNCSRQWBMVLU-INIZCTEOSA-N 415.437 1.726 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1680436193 YFBBQPMOBRNEHW-YESZJQIVSA-N 420.539 1.257 30 10 HDEE C#Cc1ccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1682508648 AQQPYDJYIXEHCE-UHFFFAOYSA-N 400.504 1.593 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C1CCOCC1 1682887248 JLRANMCIFTWAPZ-GOSISDBHSA-N 417.506 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)O2)C1 1684136487 YUTFJYNMFXTBSP-SJORKVTESA-N 419.526 1.537 30 10 HDEE CC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(OC)c1OC 1687377231 LHBWJIGGXUEOJP-OHNRDTAOSA-N 407.492 1.735 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689930107 KQGVUXKPPXORBH-SXLOBPIMSA-N 414.554 1.184 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1689946597 SXFZFIAMZAIMED-AWEZNQCLSA-N 419.507 1.051 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988696 UOOIPSIRHLOMKD-PKOBYXMFSA-N 419.595 1.904 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1690062115 CVRRZJUUWIDJKA-UHFFFAOYSA-N 407.316 1.984 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)CC1 1690115629 NIAGZSQVKYIQDY-UHFFFAOYSA-N 419.533 1.734 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)CCCC)CC1 1690146398 MWALEBMEJOFQOP-IBGZPJMESA-N 416.570 1.480 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690235631 BTKFPUGHCSYDIG-MLHJIOFPSA-N 421.542 1.638 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC(N)=O 1690251531 WGTZNDDZCKRISL-KHYOSLBOSA-N 404.515 1.082 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1690508048 AFCUCCXKINDSLU-KRWDZBQOSA-N 407.515 1.060 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690643513 DJIQRGOWTZJIOA-INIZCTEOSA-N 409.556 1.449 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OC)C1 1690674357 XYICKYGBIQPDQE-QGZVFWFLSA-N 409.494 1.434 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1692847700 CIDVKJCSWFQYNS-CYBMUJFWSA-N 417.482 1.592 30 10 HDEE CCCN(CCC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1695334064 CRTHKGVDJUXYMT-IRXDYDNUSA-N 403.531 1.470 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCN(C)C)cc1 1705474667 DTPPODHYDJNBEF-KRWDZBQOSA-N 412.538 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1705490956 URAMFSHFIXZDAK-GFCCVEGCSA-N 412.416 1.958 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705553545 ZCFBAMMHGPHNSB-MSOLQXFVSA-N 402.543 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1705578789 GGJMJMAZQHTKPG-SFHVURJKSA-N 416.460 1.896 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1Cc1nnnn1CC1CC1 1705585842 LWSLODKAIQYDCW-UHFFFAOYSA-N 416.489 1.683 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1ccnc1C 1705608089 DQDCCOPOEREYOJ-UHFFFAOYSA-N 416.493 1.976 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN2CCCC[C@H]2CC)CC1 1705638405 JZZVPZWLDPRXAY-LJQANCHMSA-N 408.554 1.755 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCN(C)C1 1705670142 JXSVKIZRDAEEOR-NHCUHLMSSA-N 410.478 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705696964 RIXGSXBOVKKHKB-JQHSSLGASA-N 415.494 1.779 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1705724857 VTTKMESWPLECIQ-CYBMUJFWSA-N 414.432 1.700 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cnnn1 1705837151 RABVGAGOGKBTEI-UHFFFAOYSA-N 402.484 1.048 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1705924210 UNXCJODXFUAJHI-MRXNPFEDSA-N 412.556 1.198 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)C)C1 1705924867 GVSXSSHEEIYIEN-CRAIPNDOSA-N 413.478 1.660 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H]1C 1708112737 QJTCKPMTJJNDOE-LSDHHAIUSA-N 402.524 1.991 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2CCCO2)n1CC(C)(C)O 1708153011 KKFUNLOKTFTRMA-GOEBONIOSA-N 412.498 1.277 30 10 HDEE CCOCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1710805691 LFBPTLJXBUZFBQ-WIYYLYMNSA-N 418.542 1.533 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722322914 YAOQKKJVZZNSJX-BZSNNMDCSA-N 416.526 1.362 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCS1 1722390107 OISARTDSPRBJFI-MAUKXSAKSA-N 409.581 1.637 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722425914 QKBIXRMSRCBBBE-GOSISDBHSA-N 423.583 1.521 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(NC(C)=O)c2)CC1 1722441996 QNBKYQVLGKQEDF-HXUWFJFHSA-N 408.506 1.892 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1722554776 HOYMQRIFNYSGKY-ZDUSSCGKSA-N 405.952 1.846 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cncn2)C1 1722710158 DUODYPBHHNCYFP-YLJYHZDGSA-N 417.514 1.392 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCC2)C1 1722711287 BNDMHNKJWUTZRU-GOSISDBHSA-N 413.526 1.863 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1722740364 OFXGQBJGWLKHPK-MRXNPFEDSA-N 409.556 1.734 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@@H](C)C1 1729738813 AMMNWRRVXJCJEI-KBPBESRZSA-N 420.564 1.696 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1740608698 DEIYTXYSCKKTSX-ROUUACIJSA-N 402.520 1.507 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(Cn2cccn2)c1)[C@H]1CCS(=O)(=O)C1 1740617176 NHZSLOLLLPDDNL-FQEVSTJZSA-N 424.530 1.506 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1740627226 OTBTWXUVRGCDLY-BZSNNMDCSA-N 408.568 1.918 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(C)C 1740685817 MRFBWAIBAKQKKA-OAHLLOKOSA-N 400.570 1.408 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2Cc2ccco2)n1 1740689124 PICJJAJBSLLIHT-UHFFFAOYSA-N 420.477 1.803 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1740715656 DDRHIHNCPOQNIZ-IRXDYDNUSA-N 402.568 1.660 30 10 HDEE C#CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740722971 NSRQVLYDXXXJPY-FQEVSTJZSA-N 421.567 1.402 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1 1740751135 YELZLKKCXXSLFD-MSOLQXFVSA-N 413.526 1.865 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740783465 IKAMZCPHXKYAMM-UHFFFAOYSA-N 409.494 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740958027 HFDNLPXSZXBATL-NEPJUHHUSA-N 400.405 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1740994462 OJZLYEYWNMSCBV-KRWDZBQOSA-N 423.583 1.574 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1741016272 HDRRTGNAQHCNGW-KRWDZBQOSA-N 409.494 1.210 30 10 HDEE CCNC(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1746498368 GUBLYHQJECICBW-RBUKOAKNSA-N 424.505 1.699 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748382465 MNBBQXBWQSPPEK-QRWLVFNGSA-N 415.519 1.867 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)CC1 1748991476 YCZMVIAHIMORLM-SFHVURJKSA-N 421.567 1.100 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOC[C@H]2CCOC2)CC1 1748993746 KHMFBCZFVBNMCS-OAQYLSRUSA-N 424.549 1.462 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749189371 HQLAGILNWYCVIJ-GOSISDBHSA-N 418.542 1.077 30 10 HDEE COCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1749757264 ICDKHOKOPPDFSG-ZMMDAZFZSA-N 404.471 1.129 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1750139790 RMCMCGMFAJNYNW-CLWJZODNSA-N 406.506 1.784 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1750504698 ISVHRCBJBWTCGJ-OAHLLOKOSA-N 413.482 1.984 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1750790792 DUXFJHOGYNQUPN-UHFFFAOYSA-N 403.531 1.759 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@](C)(O)C2CC2)CCOC1 1751018390 NRJHTEAQMNCDBH-VAMGGRTRSA-N 407.490 1.922 30 10 HDEE C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752248867 SRQFVOPYCDAIGZ-MVZUJROASA-N 407.478 1.637 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(C)COC2)c1 1760128429 HUDFVPQRPIPYKP-KRWDZBQOSA-N 409.490 1.875 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1760205576 FCWUMXGAEVYQCA-RTBURBONSA-N 419.485 1.778 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccccc2)CC1 1760251868 JZTSSKPIRBHEJW-QHCPKHFHSA-N 422.533 1.177 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760522353 ROCGREUYTOHTLB-SFHVURJKSA-N 418.586 1.718 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1C(C)(C)C 1760529073 WHFRNUJCCDJTQM-UHFFFAOYSA-N 418.571 1.754 30 10 HDEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)no1 1761691105 BMHSMUURNTYFND-AWEZNQCLSA-N 413.463 1.343 30 10 HDEE Cc1nnc(N2CCN(C[C@H](O)COc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1762619452 SPEQXSCYIQJYIF-SFHVURJKSA-N 422.489 1.661 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)C1 1766715935 ZOCVUYSGQKZFMK-UHFFFAOYSA-N 424.477 1.992 30 10 HDEE N#Cc1ccc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCS(=O)(=O)CC2)o1 1771533354 ITJBXJJHBKNVBP-UHFFFAOYSA-N 418.866 1.741 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCO[C@@H]2CCOC2)CCO1 1771538366 BITSVEPRXPYTAK-SJORKVTESA-N 403.508 1.855 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OC)C1 1772660403 SABYBGJFGGYAMP-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 1772789506 AEMXOVXKMSINBQ-HNNXBMFYSA-N 408.366 1.774 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772792038 FUSZHNAQJIGFMU-KRWDZBQOSA-N 414.439 1.903 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)C[C@H]3C#N)CC1 1850895391 RCDQKNKPEPFUQF-INIZCTEOSA-N 406.508 1.844 30 10 HDEE N#Cc1cnc(C(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c(Cl)c1 1852396456 DUHPKWPDCDQPKD-DOTOQJQBSA-N 424.844 1.775 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)[C@@H]1CCCOC1 1853061928 KKIWVYNRZXAYIK-MRXNPFEDSA-N 417.473 1.912 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)CCc3ccc(OC)cc3OC)C(=O)C2)C1 1853660195 SBJBNFHISSVZFK-SFHVURJKSA-N 401.507 1.568 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 1853725359 ATCLLAWVAYVQOW-QGZVFWFLSA-N 407.467 1.495 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854226219 GRSNBHUFTRXLQJ-SJORKVTESA-N 415.490 1.093 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3cncc(OCCOC)c3)C(=O)C2)C1 1854355133 WKSKRRCTWUSUAN-GOSISDBHSA-N 402.495 1.042 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cn1 1854941543 RRQAGLPBPCDRAX-IEBWSBKVSA-N 413.522 1.920 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)c3ccccc3-n3cnnn3)C1=O)CC2 1855036447 ZKOYCAIBKVADCD-YJBOKZPZSA-N 405.462 1.419 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CN(c3ncc(Cl)cn3)C2)CCN1Cc1ccc(C#N)cc1 1855599620 CLASHQUBIKLJNI-CQSZACIVSA-N 424.892 1.697 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3cccnc3Cl)C2)CC1 1857033627 DOPRFJQXLCBWDH-HNNXBMFYSA-N 424.910 1.218 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(Cl)cc3)C2)CC1 1857042474 YVPDOYYLWYJOOB-MRXNPFEDSA-N 423.922 1.823 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cncc(Cl)c3)C2)CC1 1857062927 SOQOJVKBSGZDOH-AWEZNQCLSA-N 410.883 1.289 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCC(F)(F)F 1857444013 CHOLPNALZHGJQT-UHFFFAOYSA-N 417.409 1.903 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(C(=O)C4CC4)CC3)CCC2=O)cc1 1857471591 WCNBOXCWJVDFAI-LJQANCHMSA-N 408.502 1.420 30 10 HDEE N#Cc1ccc(NC(=O)CC[C@]2(c3ccc4c(c3)CC(=O)N4)NC(=O)NC2=O)cc1 1858173840 SQRXWJBZSFGPCP-OAQYLSRUSA-N 403.398 1.506 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1861540001 WANQYZINBPWMML-SFHVURJKSA-N 401.488 1.701 30 10 HDEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870692184 GHIUNHQBBZTSTE-UHFFFAOYSA-N 407.467 1.250 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 1882805090 FLJJEALTMOMPEO-KRWDZBQOSA-N 417.443 1.638 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1 1889577569 BYTUIQWUAXZKPU-UHFFFAOYSA-N 423.554 1.387 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1 1890102818 OHENMGCUEPEXTG-KRWDZBQOSA-N 406.490 1.903 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)[C@H](C#N)C1 1985203116 QSQYLJIWDPORIE-RTBURBONSA-N 415.538 1.678 30 10 HDEE CO[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@H]1OC 2116073251 OJILEXMCFQZDHS-ZIAGYGMSSA-N 413.121 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 2118167741 KBCPENMSQOBXPJ-CANCMXDXSA-N 406.530 1.184 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)Nc1ccc(I)nn1 2173022169 MZQLUAGXBSDLMT-UHFFFAOYSA-N 401.189 1.336 30 10 HDEE N#Cc1cc(F)cc(S(=O)(=O)Nc2ccc(I)nn2)c1 2173022218 NIGDBNFXIQBMBW-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174788137 BFYUBQJEBZDZON-CHWSQXEVSA-N 408.471 1.559 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1C(F)F 2174788225 BZPAFNSOIMPEKZ-QWHCGFSZSA-N 408.471 1.557 30 10 HDEE Cc1cc(CNS(=O)(=O)C[C@H]2CCCO2)sc1B1OC(C)(C)C(C)(C)O1 2202300407 LTMRFUXQVXOBAI-CYBMUJFWSA-N 401.359 1.954 30 10 HDEE C#CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2203913654 XQSYWSKBUIEEGT-AUUYWEPGSA-N 400.541 1.965 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCS(=O)(=O)CC1 2235501180 ODMYJCHDEOGDJF-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2248405399 UEWZLQURJABEIH-JYJNAYRXSA-N 420.315 1.619 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1 2279246988 ZNKGGMQNMQEQQG-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CO)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282319023 NSJKTIQLWQYPOM-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE CCCSC[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330412 ZGIUDPMZWYXXHJ-LBPRGKRZSA-N 403.379 1.529 30 10 HDEE CN1CCC[C@@]1(C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334857 HMPMQMWKWXROGR-KRWDZBQOSA-N 400.375 1.810 30 10 HDEE CCN(C1CCNCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504177 LBDGRMPTACOUIP-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCN(CC(C)(C)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504479 PGXTZRLNYWQIKM-UHFFFAOYSA-N 403.375 1.970 30 10 HDEE CC1(C)CNC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282510373 XOBMCHZTRACRNJ-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)[C@H]1CCS(=O)(=O)C1 2282641497 BAKBJHYZIFHTPG-JTQLQIEISA-N 419.761 1.960 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)[C@H](CO)C3)c2Cl)OC1(C)C 2282641995 HPEYBZMLSWSKQR-CMPLNLGQSA-N 401.721 1.516 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)C1CCC1 2282831329 ISHMSLJFVXVHAV-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CC(C)SC1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282845118 NILLXZJKDPAEQS-UHFFFAOYSA-N 401.363 1.234 30 10 HDEE CN(CC1(O)CCCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857595 KJENUVIXPTXUHB-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H]3CCN3)c(Cl)c2)OC1(C)C 2282866480 KIYNSTUELNVVLF-LLVKDONJSA-N 421.155 1.933 30 10 HDEE C[C@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877111 MXRSJPSROFOGNP-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@@H](CC(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284411104 ZIIVKNNDNDTETK-JTQLQIEISA-N 401.212 1.841 30 10 HDEE CC[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC(=O)O 2284414727 JICFWICILVOUED-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNS(=O)(=O)CC2(C#N)CCC2)C1 2288524669 WQLNYFADMFXPLR-UHFFFAOYSA-N 409.455 1.217 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300231159 SXZPNSBHJRPQSE-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 2365211771 NIUWMROFBLXOOZ-KXBFYZLASA-N 402.557 1.865 30 10 HDEE C[C@@H](C[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)NC(=O)OC(C)(C)C 2367794315 HDRNJEVUOPQRHC-UONOGXRCSA-N 403.497 1.730 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2375230960 ZDLMEWXYRYPBRS-RDTXWAMCSA-N 402.513 1.257 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 7799436 IDUAZHRGAALQLC-UHFFFAOYSA-N 413.455 1.971 30 10 HDEE COc1ccc(/N=C(\O)c2ccc3c(c2)C(=O)N(c2c[nH]c(=O)[nH]c2=O)C3=O)cc1 59514791 HXLFIEBNVOOKPV-UHFFFAOYSA-N 406.354 1.509 30 10 HDEE N/C(=N/O)[C@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 236339582 VFOFZJPIDXODKK-SNVBAGLBSA-N 409.611 1.532 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 437634203 JIPOGFBCWSXYIQ-OAHLLOKOSA-N 402.495 1.860 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 444820071 UMZJGYZQYVANCN-UHFFFAOYSA-N 417.491 1.506 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CC(=O)N1CCOCC1 460793265 NQQAJHPDUARQSM-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2cccc(Br)c2)CC1 460811080 UJRPHANIHNPSPS-CQSZACIVSA-N 410.312 1.663 30 10 HDEE COCCOc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480530986 WOPUETXAPSUTJQ-HNNXBMFYSA-N 417.487 1.567 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 485757301 UIRSQDOTXGJOJW-IAGOWNOFSA-N 409.464 1.409 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 487528730 VCSDBRQSPLBFHT-AWEZNQCLSA-N 416.507 1.237 30 10 HDEE CN(C)c1ncc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 501582576 RYSLGFCGHLMGFW-UHFFFAOYSA-N 405.466 1.936 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 503056630 RHSSCTZNGOLMPJ-LJQANCHMSA-N 409.508 1.815 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 508808251 GMEIIIRCLWIZTB-KRWDZBQOSA-N 421.509 1.992 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 508841860 UUERLVQWNKPFOK-INIZCTEOSA-N 423.521 1.535 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCCO1 512720306 KFSDDFWWFFHMTO-GOEBONIOSA-N 414.531 1.423 30 10 HDEE Cc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)s1 526887423 VMKVBLFUJCEXJP-HHHXNRCGSA-N 423.545 1.984 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)Cc2cccc(C#N)c2)CC1 531392287 GAXVBFZNGAPGBC-UHFFFAOYSA-N 403.426 1.916 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](C)C1 544839248 PIBAVNCHWBVQOU-ICSRJNTNSA-N 414.554 1.922 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@]2(CCOC2)C1 549690009 GPMSLNFGELHJFC-HXUWFJFHSA-N 408.466 1.493 30 10 HDEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549699372 UAZOHYBFXXMOIV-INIZCTEOSA-N 414.897 1.245 30 10 HDEE N#Cc1cccc(C(=O)OCCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1 586393876 JRAMIYROJXRNFS-UHFFFAOYSA-N 407.426 1.902 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3ccsc3)CC2)c(F)c1 586863480 OIYZQGYHLRHBPQ-UHFFFAOYSA-N 400.435 1.360 30 10 HDEE N#Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@@H]2C2CC2)cc1C(F)(F)F 617191023 RWSJHYCQLSURSD-OAHLLOKOSA-N 402.394 1.988 30 10 HDEE C#CCN(C(=O)COc1ccc(Oc2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 729331321 BNSUVDHVNUGAPX-MRXNPFEDSA-N 400.456 1.902 30 10 HDEE C#CCN(C[C@@H](O)CN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 733613884 OSRRWBKHDNESLR-FUHWJXTLSA-N 409.324 1.901 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742393729 SNLNHHBRDBZCOF-UHFFFAOYSA-N 414.487 1.567 30 10 HDEE C#CCN(C(=O)c1ccc(I)c(O)c1)[C@@H]1CCS(=O)(=O)C1 760849033 PPNFWPXBCJGPBR-LLVKDONJSA-N 419.240 1.259 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4cccc(C#N)n4)CC3)c(=O)[nH]c21 761036540 ITTNEURPXLJEKK-VOTSOKGWSA-N 417.473 1.934 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 774245731 DMLOVGLXTQUSIO-HOCLYGCPSA-N 402.476 1.553 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 780882348 HBKOBNJAPIOOPO-LJQANCHMSA-N 417.462 1.700 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2=O)cc1 788113450 LDRAPADXIIPAHF-QGZVFWFLSA-N 406.490 1.610 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OCC)C2)n1 789217095 PFNLDAJMCMEBTN-ZWKOTPCHSA-N 419.526 1.931 30 10 HDEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(C#N)n1 798745171 PSNMJTQAGJBTJW-ZIAGYGMSSA-N 412.450 1.302 30 10 HDEE C[C@@H](C(=O)OCC(=O)N(C)Cc1cc(Br)cs1)n1cnc(C#N)n1 798746184 PULABCGAOPYUIF-VIFPVBQESA-N 412.269 1.737 30 10 HDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 798748051 RJPVSCKLTQCLGK-RITPCOANSA-N 403.267 1.977 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](C)N2CCc3ccccc3C2)cc1C#N 803882585 CYMZXCLOYUGFGL-MRXNPFEDSA-N 406.486 1.746 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811019533 ILJRNRFLZRISLJ-SNAWJCMRSA-N 408.480 1.034 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 813719189 MCGKBDNOMAKEFR-RDJZCZTQSA-N 400.483 1.652 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1cccc(C#N)c1)CCO2 814397922 PCCIIWKOEXSVSO-UHFFFAOYSA-N 407.492 1.710 30 10 HDEE N#Cc1cc(F)ccc1CS(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856531181 LTTCDZWXJCUSEG-ZWKOTPCHSA-N 402.451 1.378 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1 914594518 DMHUHAARBLUMEJ-HNNXBMFYSA-N 411.414 1.446 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)n1 1083963666 YVXFSAUJNDYRSV-UHFFFAOYSA-N 404.481 1.639 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c1 1084016079 UQAKRINTQKPSLB-UHFFFAOYSA-N 401.452 1.448 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 1128961696 DCURAIWKYNJULE-UHFFFAOYSA-N 422.279 1.874 30 10 HDEE C#CCC1(NC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CCOCC1 1133709047 BIALAZJLZBOBRR-UHFFFAOYSA-N 419.547 1.136 30 10 HDEE C[C@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@H](C)O1 1134645940 ZPEJDQWMGVOECA-ZFDALGJYSA-N 417.531 1.306 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1137118639 FXMQFHRIKJTZJY-IYOTWJRTSA-N 418.494 1.425 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCC2(C1)OCCO2 1137864522 XGXKKMAZLRTGST-HOCLYGCPSA-N 421.519 1.696 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)c3ccccc3OC)ccc2C)C1 1158397606 FXTLXEFGZFDQMB-UHFFFAOYSA-N 414.483 1.649 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1171181367 LLNMGJAZGBSQMC-CBGDNZLLSA-N 405.495 1.938 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1184015206 XQWFORJFFJJDKY-QEEYODRMSA-N 409.483 1.355 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1188570334 OJAFQXVVIVCKEM-QRVBRYPASA-N 424.519 1.629 30 10 HDEE COC(=O)[C@H](CSCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)NC(C)=O 1189333537 UFXIXACFUGDYDM-HNNXBMFYSA-N 416.421 1.584 30 10 HDEE C#CCN(C(=O)N[C@@H](Cc1ccccc1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 1252584520 JSYVZVBICBIEQU-MSOLQXFVSA-N 400.504 1.536 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CCC2=O)cn1 1269660495 RSKSFUDPICIMQG-MUYFXNHWSA-N 422.489 1.936 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286342612 AIWBANOIKPLMGQ-UHFFFAOYSA-N 409.538 1.744 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1286389862 RXJRZLUGJQSGDS-AWEZNQCLSA-N 420.564 1.635 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(CCOC)CCC1)[C@H]1CCS(=O)(=O)C1 1286390114 XINIGZNMSPLLKL-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286395708 UABQOOKBVHRJMN-ROUUACIJSA-N 424.567 1.299 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1286396566 WCIVTKOGAIKZFH-CQSZACIVSA-N 422.580 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O 1286417293 ZVKBJQBQESSLAC-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@@H]1C 1286423720 NGORWSNAGRKXKL-SFHVURJKSA-N 421.501 1.857 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H](C)C2)CC1 1286470738 BVWDGTAQABIDBU-LJQANCHMSA-N 413.570 1.001 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1286547516 OUAYYCUJGSBZOF-ZNMIVQPWSA-N 415.585 1.423 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1286774100 YSNDEDSZFSCGOG-OPOADAIRSA-N 403.527 1.809 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1nncn1C 1286818973 VGQUEIZGNNOQDL-OAHLLOKOSA-N 416.511 1.344 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2COC3(CCCC3)O2)s1 1295644570 UFIWEOXVYDNKAI-CYBMUJFWSA-N 400.522 1.557 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)s1 1298141907 LVGUKZLVKDUCEC-CYBMUJFWSA-N 415.537 1.444 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N[C@@H]3CCCN(O)C3=O)CCC2)C1 1298543690 UGYNKUOZPSMPKE-JLTOFOAXSA-N 411.499 1.415 30 10 HDEE CN1C[C@@](C)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1298877143 LBKGDQHEOCOWRO-UTKZUKDTSA-N 410.478 1.107 30 10 HDEE CC[C@@](COC)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1298978865 QSRSRBRRCYADAL-SFHVURJKSA-N 424.295 1.841 30 10 HDEE CC(C)(CO)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccnc1 1299954646 GWACHGROAOFIBW-LJQANCHMSA-N 401.488 1.744 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)OC(C)(C)C 1300432051 RFFYJWDOHFNKQD-HXUWFJFHSA-N 407.515 1.913 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300497385 YTPSXEHQUBQLGZ-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1300537302 DDFKZRHCXITPTN-HNNXBMFYSA-N 417.560 1.515 30 10 HDEE C=CCCOCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1301262076 QOJRROIVCSLMKT-FUHIMQAGSA-N 408.499 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C)C2(CCC2)C1 1301586173 QORJQICZLDZSFG-JKSUJKDBSA-N 421.567 1.847 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1301588537 GVDJRKQAYNANIM-UHFFFAOYSA-N 421.571 1.586 30 10 HDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1302228232 SGYKPRWVKVQGST-CQSZACIVSA-N 411.466 1.995 30 10 HDEE C[C@](CO)(Cc1ccc(Cl)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1302646210 FVHMGYPRMKVADX-LJQANCHMSA-N 421.906 1.488 30 10 HDEE C=CC(C)(C)CCCNC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1303334420 FCUNMJISIBCXMZ-UHFFFAOYSA-N 402.538 1.477 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c1 1303902475 JDLUSWKEUXHBHC-QGZVFWFLSA-N 408.520 1.545 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1304741896 BHTWIHVHSQCLIF-FMQUCBEESA-N 424.509 1.512 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC#C[C@H]2CCCCO2)c(OC)c1 1305001731 PAXCPZVYXOMYMQ-APWZRJJASA-N 400.475 1.997 30 10 HDEE N#Cc1c(CCCNC(=O)NCCC[C@H]2CCOC2=O)nn(-c2ccccc2)c1N 1313243848 KXUIQCNORWQDBY-HNNXBMFYSA-N 410.478 1.901 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CC(=O)NCc2ccco2)CCO1 1316540550 WSQCQNUEUVXCTF-HNNXBMFYSA-N 410.409 1.722 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 1320595616 HYVKSYSEQFZCJF-VHEBQXMUSA-N 405.401 1.691 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(C(=O)c3cc(C#N)c(SC)nc3O)C2)nn1 1323929309 HDLSSZGDTCFGNK-LLVKDONJSA-N 402.436 1.236 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1349600511 JFDJMSWOQMUWEW-OAHLLOKOSA-N 400.866 1.573 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1355788365 AQJSTHCIDSUYOO-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)c1C 1357272138 AATITPPKIWHKKZ-OAHLLOKOSA-N 408.462 1.726 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1357272494 HROXWCYBIFVOIZ-INIZCTEOSA-N 408.462 1.414 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1358926796 CIDHYWJUFCDSQZ-QGZVFWFLSA-N 412.542 1.129 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358961097 RMZKVXCMYYFVAY-OAHLLOKOSA-N 403.508 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1358968432 LRFXJEFJFCSDJL-NRFANRHFSA-N 401.580 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC 1359021006 YLFUNEVZXOPRNO-VQTJNVASSA-N 409.490 1.954 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1359033782 PNZGLVRNHITEOS-UHFFFAOYSA-N 421.549 1.744 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC1CC1 1359063231 LFTSEPPXZIXSGH-OAQYLSRUSA-N 400.527 1.715 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1359112074 XLSKHHSUFRQBQD-KRWDZBQOSA-N 404.559 1.867 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(C)noc2C)C1 1359320562 SEBKDPQMDQWAJI-RDJZCZTQSA-N 400.483 1.858 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)NC)C1 1359324902 UKNGROIEMQXMND-HNNXBMFYSA-N 411.553 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1359331129 OGNLTBZLJPOULU-HNNXBMFYSA-N 408.528 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(CO)CC1 1359333636 FCCPDQFVDUFMQW-UHFFFAOYSA-N 422.526 1.818 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359344917 NAWBWNWTALPUGO-INIZCTEOSA-N 400.508 1.824 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)C1 1360785277 SLQZNXDYNYOIJD-HXUWFJFHSA-N 414.535 1.919 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@H]3CCN(O)C3=O)C2)c2ccccc12 1450162016 HFKZLYBZULQJCL-KSSFIOAISA-N 411.458 1.807 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1453341752 BOWCBALZUOJVSR-PBHICJAKSA-N 414.549 1.620 30 10 HDEE C#CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1465190087 JGNQYCLMFVGSMA-OAHLLOKOSA-N 402.472 1.288 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br 1468764358 XZUUVOUPXZSQMI-OAHLLOKOSA-N 410.312 1.871 30 10 HDEE C#CCCN(CCOC)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1470460917 MWOSYAALJARFCE-UHFFFAOYSA-N 417.325 1.616 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(F)cc1 1470658020 TVUXOIBIENZHRA-QZTJIDSGSA-N 410.515 1.754 30 10 HDEE CCC(=O)N1CCc2cc(C(=O)Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)ccc21 1473073606 YHLBEWVMBAUGIG-UHFFFAOYSA-N 406.442 1.707 30 10 HDEE COC(=O)[C@]1(N2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1473660093 YZVYBHBFQWGDMZ-FQEVSTJZSA-N 420.897 1.490 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(cnn3C(C)C)c2)CC1 1476145846 AYBHGILUUTUUAP-UHFFFAOYSA-N 404.496 1.234 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1495773144 GZBBNSOALXRVKR-IIBYNOLFSA-N 411.510 1.536 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1505047229 LYSZBDHMWLNBIA-SFHVURJKSA-N 401.467 1.331 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1507573626 IUOBPEIHLJGVPY-SJLPKXTDSA-N 417.535 1.880 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1507617868 CVGBZKMFICOLQU-UHFFFAOYSA-N 403.450 1.243 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507636143 ZIWVPAZCICYIHM-AEFFLSMTSA-N 405.568 1.342 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1ncn(C)n1 1507707055 RBPTYYHCOWYRMN-UHFFFAOYSA-N 417.420 1.809 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)F 1507709550 VLBMACUYJOACNL-UHFFFAOYSA-N 421.404 1.141 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(F)c1 1507712674 LVHDOFRYYQYGMM-MRXNPFEDSA-N 401.442 1.511 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507836002 SWDAYYWPHFZSQR-INIZCTEOSA-N 420.558 1.846 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507936500 DWDIVGJQHJUBJY-OAHLLOKOSA-N 417.514 1.149 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508091925 XDDASZQELYTJQI-IRXDYDNUSA-N 418.542 1.563 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1508165265 RDHJZQKMZMOYBS-KRWDZBQOSA-N 418.567 1.916 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1510285061 GVIOCQBZRRWTAU-DYESRHJHSA-N 415.542 1.472 30 10 HDEE Cc1cccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1511180830 IMEKENWFRKLZKE-QZQOTICOSA-N 421.505 1.748 30 10 HDEE COc1cc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1C#N 1520629825 RGVQLWLXZQJXOZ-AWEZNQCLSA-N 416.478 1.651 30 10 HDEE CC(C)(CCNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)S(C)(=O)=O 1525627978 ZUERNJMBSDDWJZ-UHFFFAOYSA-N 400.522 1.707 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 1528154178 XWUQYMQINWQWIC-KRWDZBQOSA-N 414.483 1.995 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2=O)cc1Cl 1530034633 HJAXEIPBMMMXTE-SWLSCSKDSA-N 402.838 1.664 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1C[C@@H]2CCCCN2C1=O 1533251652 AIUCWQQMRLCQHJ-KRWDZBQOSA-N 409.494 1.557 30 10 HDEE C[C@@]1(c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)COC(=O)N1 1533802547 GARMXUAIEGUHSQ-IBGZPJMESA-N 414.443 1.319 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N(C)CCc3cccc(C#N)c3)ccc21 1535481345 CPYSXWNTIGYCGF-UHFFFAOYSA-N 404.470 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1538973761 PZJNUQBGWDDKJN-UONOGXRCSA-N 422.580 1.902 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1539016683 VDGVCBGWCWCIKK-AEFFLSMTSA-N 421.567 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539016805 VQIHGGGWWCKXIQ-JKSUJKDBSA-N 414.510 1.495 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](CCC)OC)CC1 1539427782 ISXXENICCDLGGQ-QGZVFWFLSA-N 411.510 1.496 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1539517470 OEYPPLLBHKPGDV-GVDBMIGSSA-N 424.592 1.409 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539699972 JVYKZUPSNLTXCI-CZUORRHYSA-N 424.461 1.530 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539707572 DJIBBHJKOSPVSW-SFHVURJKSA-N 409.494 1.607 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1540071309 DVDQTLCNBQIQFX-GOSISDBHSA-N 419.551 1.784 30 10 HDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1540080666 JTTSHWPKGWIKJZ-UHFFFAOYSA-N 402.524 1.912 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1540870603 QYXHAJAOTZCMHC-AWEZNQCLSA-N 414.514 1.422 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1540876056 GFVBAINJZKYPJX-ZMSDIMECSA-N 419.526 1.498 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](COC)C1 1540876148 IWEPGQXPGNGXQK-LZLYRXPVSA-N 405.543 1.972 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2CC2(S(C)(=O)=O)CCCC2)C1 1540896459 MLEISCCYXNEUPE-MRXNPFEDSA-N 412.556 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1540904652 OFRIDDMJPRDYHB-HXUWFJFHSA-N 414.535 1.995 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1540913755 RVNDUJAFTZWJIH-MRXNPFEDSA-N 403.556 1.950 30 10 HDEE C=CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1540922487 PGPYIWNWNKPWGD-IBGZPJMESA-N 409.556 1.551 30 10 HDEE Cc1csc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1542872024 WZDLDQLUMVDTDO-BEFAXECRSA-N 418.523 1.861 30 10 HDEE C=CC1(CC(=O)Nc2cnn(CCN3CCOCC3)c2)CN(C(=O)OC(C)(C)C)C1 1542919210 CQKBKZRKPWXFQB-UHFFFAOYSA-N 419.526 1.967 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCCNc3ncccc3C#N)CC2=O)cc1 1544056486 WZTALFSRNRDNIN-INIZCTEOSA-N 406.446 1.493 30 10 HDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CCOCC1 1548369273 TVKVPRNYGDKTTD-QGZVFWFLSA-N 424.423 1.767 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC 1555670267 UOQJNYQAVFZPSY-DOTOQJQBSA-N 401.467 1.788 30 10 HDEE CCS(=O)(=O)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1556437615 JAMPUOUFUJBFQF-HNNXBMFYSA-N 401.529 1.999 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)cc1 1558702684 WCNWIGGKXIQYBY-OAHLLOKOSA-N 418.475 1.632 30 10 HDEE CC(=O)Nc1ccc(CN2CCC(NS(=O)(=O)c3cncc(C#N)c3)CC2)cc1 1561581847 CUYHHPOJLMOHEO-UHFFFAOYSA-N 413.503 1.855 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1csc([C@@H]3CCS(=O)(=O)C3)n1)C2 1583061272 NPUQFKLLAOJCII-GDBMZVCRSA-N 401.513 1.743 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2Cc3cccc(C#N)c3C2)C1 1583266784 AOZQYAOENSSLBT-QGZVFWFLSA-N 413.503 1.841 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1585215524 LADPQVOSIAYAEO-FQEVSTJZSA-N 421.519 1.838 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1587813961 ZSRDSQAOKBUDLT-GDBMZVCRSA-N 404.471 1.685 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1588073826 FLIZCHGPAKHNLE-AIJFHESESA-N 422.551 1.595 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)cc1 1588089391 KPOJDXREKTWILI-QFIPXVFZSA-N 407.474 1.150 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCOCC1 1588099610 SDYKRSHCEFWGES-KRWDZBQOSA-N 408.462 1.647 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1588144228 XIMFHHAOWJEYJM-RAUXBKROSA-N 419.529 1.747 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCCSC)CC1 1588806607 WMXDTENLBATRMB-QGZVFWFLSA-N 404.584 1.908 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1589134102 FASUITZEBOXIRT-DNVCBOLYSA-N 407.540 1.376 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1593689927 GEMPUYNHYBHXOF-RDJZCZTQSA-N 404.515 1.572 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2noc(CC)n2)CC1 1594193544 REODPAKYFVNUSA-CYBMUJFWSA-N 423.543 1.479 30 10 HDEE C=CCN(C)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1594929897 QOJMSDQREVHFFK-UHFFFAOYSA-N 408.553 1.341 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1595556267 QMHJDWIXPYOFDK-UHFFFAOYSA-N 404.902 1.397 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OC)C1 1595664810 KMAVHHWFNCNQBR-QGZVFWFLSA-N 412.494 1.747 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1595838097 KRLJKQOXJPNGBA-UHFFFAOYSA-N 406.556 1.492 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ccccc3Br)C2)c(=O)nc1O 1607489497 QDHJHPICZGKRCZ-UHFFFAOYSA-N 403.236 1.599 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1608399386 AQYABVXJXFZDED-YSSFQJQWSA-N 420.489 1.586 30 10 HDEE O=C(c1ccc(=O)n(-c2ccccc2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648791 JJOSFIRSHFMIHO-UHFFFAOYSA-N 418.409 1.750 30 10 HDEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)cnn1C 1611863112 NHHMSIARCILZPD-UHFFFAOYSA-N 409.494 1.894 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)n1 1612493515 XPVLXHIWYHIGCQ-OALUTQOASA-N 400.462 1.060 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCN(CCCOCC(F)(F)F)CC1 1615252156 TVWKSINXYMNCCA-QGZVFWFLSA-N 401.429 1.885 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 1617213461 MMMIBWQNGZWUKJ-OTWHNJEPSA-N 406.571 1.968 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)[C@@H]1CCSC1 1617729328 PYUQONODTRMJOK-MRXNPFEDSA-N 420.564 1.698 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619796186 FPSHNMWBHDONSX-DVEDPGPFSA-N 416.526 1.965 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1620346437 AWXFQXUAEDGCQL-DYVFJYSZSA-N 405.459 1.002 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H](C)NC(=O)OC(C)(C)C 1627136734 NMTMUTNUDNXUTQ-NXEZDXNNSA-N 413.540 1.569 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)ccc1F 1629158986 MQLXQDZSCZCBJS-YSVLISHTSA-N 414.499 1.586 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 1630550991 CRROSWIBVUXLEC-MRXNPFEDSA-N 414.487 1.192 30 10 HDEE COc1cc(NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(OC)c1 1632448229 ASISPAQKQWPZAI-UHFFFAOYSA-N 421.450 1.982 30 10 HDEE CC(=O)N1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2)CC1 1632630607 YXPZJXXSXFAVRA-QZQOTICOSA-N 411.462 1.210 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2Br)CC1 1632960555 JRGBJHOMGONTFZ-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE C#C[C@H]1COCCN1C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1634071594 OGOHMGBZBCLCGU-BBRMVZONSA-N 406.280 1.906 30 10 HDEE CN(C)CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 1635119997 FYUVGVLJYOLNIR-KRWDZBQOSA-N 420.535 1.244 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN2CCSC[C@H]12 1638408387 YYAUURHSGATHEL-BFYDXBDKSA-N 401.540 1.148 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1639209317 CSUUDQOUFWNVHS-MCIONIFRSA-N 406.508 1.006 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)C1 1639270070 OJJIHYUJCFAMSO-HNNXBMFYSA-N 400.460 1.262 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1639988970 BMRJOAXCRVGJQM-JEOXALJRSA-N 401.492 1.587 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1640026575 VJSNVEPMFTXIFA-UHFFFAOYSA-N 421.454 1.460 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1640284988 WFXBXYXQQATBNK-UXLLHSPISA-N 404.442 1.089 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2ccccc2OCc2ccncc2)c(=O)nc1O 1641033832 JLVSTQWMRZIINO-UHFFFAOYSA-N 405.414 1.153 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@H](O)CC2(C#N)CCC2)C1 1641631934 UMCZHBZVKIKKRH-DLBZAZTESA-N 408.543 1.784 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(OCc3ccccn3)c2)CC1 1642589895 ZXHZNRJCMVLGMJ-UHFFFAOYSA-N 400.504 1.246 30 10 HDEE Cn1c(=O)c2ccccc2n1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1644172974 XHFXBOHSZIQVPL-FQEVSTJZSA-N 407.449 1.888 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1644197242 PDUMWZKQDVBZFK-QGZVFWFLSA-N 408.433 1.476 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C1 1644638407 QJKUFKXALFZALZ-LJQANCHMSA-N 403.548 1.935 30 10 HDEE C#CCN(CC(=O)N1CC[C@H](C(=O)OC)C[C@H]1[C@H]1CCCO1)C(=O)OC(C)(C)C 1645150933 HDUQAHRWNKQZOJ-YESZJQIVSA-N 408.495 1.816 30 10 HDEE C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1CS(N)(=O)=O 1645748646 WANXEGCZMLEMSB-CVEARBPZSA-N 406.508 1.096 30 10 HDEE C[C@H](CC(=O)NCc1cnn(CC2CCC2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1647975867 HLKMUJLSPZGOPF-CQSZACIVSA-N 415.519 1.817 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1648187751 FPHDQCDQDYMQEX-UONOGXRCSA-N 401.529 1.373 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1649569675 NKEPCDQUXHATEO-CQSZACIVSA-N 420.564 1.698 30 10 HDEE COC(=O)[C@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1654752377 FKILMMRIIOEPOQ-BXUZGUMPSA-N 417.281 1.662 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1660309974 NNBDBFYRAIKQDG-UVFQYZLESA-N 421.519 1.141 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1662024787 YTLCSNAOTITBLH-CQSZACIVSA-N 405.517 1.271 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)c1 1666555219 CQXBXKFDPITUHU-UHFFFAOYSA-N 416.455 1.309 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ncc(Br)cn2)n1 1676575244 QMHCGGXFIYIYHV-UHFFFAOYSA-N 407.272 1.427 30 10 HDEE C#CCN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@@H]1CCCc2ccccc21 1679964508 BJUNQVYZBJZTAA-LJQANCHMSA-N 416.503 1.816 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681517076 XQWCZGVHCBZTPU-WMLDXEAASA-N 404.492 1.272 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)n1 1685474415 OFDZGMMRDRUAQH-HUUCEWRRSA-N 412.498 1.714 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(C)(=O)=O)c1 1689870094 BCHNOZSQDHLNFJ-UHFFFAOYSA-N 401.492 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1690020939 BJKYBTSXZHKZCY-UHFFFAOYSA-N 423.427 1.431 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(N)=O)cc2)CC1 1690115698 PUUGOIGUZMDRNI-UHFFFAOYSA-N 404.474 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(CCC)C2)CC1 1690142562 QMTQYGOSJUONRV-GOSISDBHSA-N 423.565 1.971 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690375513 MXYGFWJTZBHMCA-BBWFWOEESA-N 410.540 1.388 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690668066 REHJFIGZOOQLHW-INIZCTEOSA-N 408.466 1.718 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1 1690672605 XLFQIHDWAHGAMF-SFHVURJKSA-N 423.477 1.463 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)C2CC2)CCOC1 1692589535 ATNQSNTYGQAIHG-FFZOFVMBSA-N 405.499 1.208 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1693225925 DIGBTQJIKDFXLB-HNNXBMFYSA-N 420.420 1.276 30 10 HDEE CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1F 1696607763 NJNWEYZRWRHDGP-OAHLLOKOSA-N 408.441 1.717 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@@H]1CC 1705532194 IIVRFGNTEAUVAO-SFHVURJKSA-N 422.537 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC2(C1)OCCO2 1705585289 PVZPAOAUVCCLLP-IBGZPJMESA-N 408.506 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NC(C)C 1705595744 FAJSPCKVSJZIAB-UHFFFAOYSA-N 417.473 1.581 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1705631047 PVVSJZRETRVKIR-IDVKNYFZSA-N 420.554 1.823 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCC)CC1 1705700802 YRWVNZRRQCWHQT-AZUAARDMSA-N 416.570 1.785 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1705728870 AQOITOLNHUELDX-WMZOPIPTSA-N 401.515 1.638 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1705735256 MIIHTGMJPYZOIC-KRWDZBQOSA-N 407.515 1.060 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2nc(C)no2)CC1 1705903479 WWAXQDHNAAZVCG-HNNXBMFYSA-N 401.471 1.160 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cnc(C)s3)CC2)nnc1C(C)(C)C 1705908599 DYQHTWAZWZEEQK-UHFFFAOYSA-N 417.583 1.965 30 10 HDEE C=CCOc1ccccc1Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)C1 1705913542 QVEKTCKJVJUWOT-UHFFFAOYSA-N 404.474 1.813 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1708258310 AMEXZNMWCOSRIR-YJBOKZPZSA-N 424.505 1.869 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1709901002 QFJQLZUPMJHCRF-IRXDYDNUSA-N 407.478 1.010 30 10 HDEE CCOCc1nnc(N2CCCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710719382 LQVOVPFRAVXTLP-IJYGLTAASA-N 402.499 1.967 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)CN1CCOCC1 1712622481 QHASSUBLFZHKDS-RDGPPVDQSA-N 420.558 1.709 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1722370783 OUHYDNKKSJPRBB-UHFFFAOYSA-N 422.880 1.111 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1722417288 CDJYOMKHSYJHDE-UHFFFAOYSA-N 410.457 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H]2CCOC2)CC1 1722446052 LFLJXIFTOMRPTE-MRXNPFEDSA-N 411.510 1.071 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)CC1 1722559925 MEIIZGIJCQFTSG-LBPRGKRZSA-N 415.470 1.685 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnccn2)n1Cc1nnn(C)n1 1722660278 RAESDKMHHCFZMT-UHFFFAOYSA-N 406.429 1.639 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(Cl)cccc2C1 1722692533 PTYAWKDGZANSOJ-UHFFFAOYSA-N 416.913 1.935 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C)nn1C 1727229583 FXHHWSCURPAKRI-INIZCTEOSA-N 400.487 1.016 30 10 HDEE Cn1cc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)cn1 1729575704 BYGPRIVRGWFVMI-IBGZPJMESA-N 400.462 1.322 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740590920 KRKBEELXJMRGDX-MAUKXSAKSA-N 416.503 1.827 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740599091 PGBZDAVADZLBBI-CQSZACIVSA-N 413.482 1.908 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740610237 VAXALAPBNGBAKQ-HZPDHXFCSA-N 415.460 1.895 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1740610748 KIFQBVHKONFXAG-HNNXBMFYSA-N 407.515 1.817 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740621221 UVSLPTKQRPWLJV-QGZVFWFLSA-N 402.520 1.733 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1740621783 PBBJMUNPQARTRF-INIZCTEOSA-N 414.535 1.964 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)NC 1740680800 OCEZLCBCIMHUHG-UHFFFAOYSA-N 407.478 1.557 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCOCC1 1740687103 REVBXGWNQJPRAV-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1740693058 SLIFTEHNYNGRAL-GCJKJVERSA-N 419.570 1.747 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1740729344 DNVNUHXWMIHVQP-CWFSZBLJSA-N 402.568 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740759996 NIXWXAKTZTXZGO-RXVVDRJESA-N 418.586 1.668 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740946466 SPPIXECLRCJXJE-QGZVFWFLSA-N 415.519 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740985627 KEGSSVRAOZELOV-KBPBESRZSA-N 406.574 1.260 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741285310 TZLCWHMNSVDRLT-SFHVURJKSA-N 424.553 1.622 30 10 HDEE C[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1741840492 YBSLMGLMCKTRCZ-AWEZNQCLSA-N 404.478 1.825 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC)C1 1749021900 CBCSNGOJDBVTOC-GJZGRUSLSA-N 415.585 1.260 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCC)CC1 1749218616 QIMOQIHYHMYCEI-UHFFFAOYSA-N 416.526 1.697 30 10 HDEE C=CCC(C)(C)Cn1c(C2CCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749366789 LXOATLQUXWJODB-UHFFFAOYSA-N 413.530 1.483 30 10 HDEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1749382920 QBDFLJXGGQNHLS-IBGZPJMESA-N 422.533 1.874 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749760864 PFPHLBVYVQTOJF-INIZCTEOSA-N 417.539 1.700 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760105229 MOXIDCXULBVHBS-HUUCEWRRSA-N 416.913 1.946 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)N(C)C)c1 1760125095 DNLBMRPOGKRCBV-INIZCTEOSA-N 418.505 1.741 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCNS(C)(=O)=O 1760165709 BMNXSYQZUVJAAU-UHFFFAOYSA-N 412.313 1.326 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCOC1 1760199278 WVKQLVTURGBLOL-FQEVSTJZSA-N 400.866 1.831 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCSC2)CC1 1760263347 XXRMNJJOEGYFKB-IBGZPJMESA-N 403.577 1.554 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760361108 SDBCAITWICCLHC-CEXWTWQISA-N 405.543 1.879 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)CC1 1760402827 WAKBUYQAPGZXKW-KRWDZBQOSA-N 416.551 1.924 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1760515987 UMEFOUHIRNBKCV-MRXNPFEDSA-N 406.531 1.972 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CC(C)C)C1 1760516785 VJZOMLTVPSQBAY-CABCVRRESA-N 412.560 1.063 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1767188827 JPDCJWBOBWLELG-CVEARBPZSA-N 420.514 1.037 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1769532814 APADYSBEHAARNO-UHFFFAOYSA-N 403.508 1.722 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CN1CC(Oc3cccnc3C#N)C1)CC2 1849243942 PXTLDHZLUHWIPV-UHFFFAOYSA-N 408.458 1.618 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cn1 1850090371 PPNPPCNEUQXBCX-SFHVURJKSA-N 420.922 1.785 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1850827065 LWSYTXHCAHZYBQ-UHFFFAOYSA-N 406.512 1.184 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc(OCC)cc2)c1COC)[C@@H]1CCN(C)C1=O 1850862432 JFHBBMORPPPYNQ-QGZVFWFLSA-N 413.478 1.671 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccc(C)c(C)c2)C1=O)[C@@H]1CCN(C)C1=O 1853827400 BOOIGLYNNZQFJM-VQTJNVASSA-N 413.518 1.919 30 10 HDEE CCS(=O)(=O)C1CN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1853997032 DYHJOGAKMPSUMJ-CQSZACIVSA-N 423.922 1.514 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3conc3C3CC3)C2=O)C1 1854335782 JYSUQJGPDFVIMI-KRWDZBQOSA-N 407.430 1.713 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)[C@H]4CCCO4)C3=O)CC2)CC1 1854371059 SCLTYRNUROTXGI-RBUKOAKNSA-N 416.522 1.157 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854862146 HUQNMUSRNFGEKB-QGZVFWFLSA-N 409.446 1.782 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)Cn3cnc4ncccc4c3=O)C2)CC1 1855204968 PWJIZSZMYQJKDN-QGZVFWFLSA-N 409.490 1.599 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1855248229 NXSFRDATYPMGPZ-CQSZACIVSA-N 401.492 1.512 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCCN(C(=O)Cn3nnc4ccccc43)C1=O)CC2 1855369259 GVXFRRUSGTWVPG-VQIMIIECSA-N 406.490 1.965 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1855376183 ZDDBBBGHDCZKGT-LSDHHAIUSA-N 415.519 1.879 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)Cn2nnc3ccccc3c2=O)C1 1855406930 BOJGFIFGABITBE-DLBZAZTESA-N 409.490 1.597 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCN(S(=O)(=O)C(C)C)CC2)CCC1=O 1855570958 PSLBNMJQNACTQY-QZTJIDSGSA-N 413.584 1.710 30 10 HDEE CCC[C@@H](F)C(=O)N1CCN([C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)CC1=O 1856664225 DQDXZFFMJAGBOF-UYAOXDASSA-N 416.497 1.820 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C(=O)C2)C1 1856857883 NPPAJYUHCHUJBX-RTBURBONSA-N 414.506 1.184 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3nnn(-c4ccccc4)c3C)C(=O)C2)C1 1856862508 RQTLTQAZCPITGJ-LJQANCHMSA-N 408.506 1.511 30 10 HDEE Cc1cc(C)n(CCC(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CCC2=O)c(=O)n1 1856948856 VCPLZHIECUNBAY-LJQANCHMSA-N 413.522 1.641 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@H]1CCN(C)C1=O 1857069034 UEUANOJOJRFPAC-ZFWWWQNUSA-N 423.464 1.455 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)ccn1 1857338213 YVOGKFZZVCTADY-CQSZACIVSA-N 412.881 1.814 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)C2CC3(CC3)C2)C1)C1CN(c2nccnc2C#N)C1 1857389791 RLMMUTAQUYDEFE-HNNXBMFYSA-N 408.506 1.424 30 10 HDEE CN(C(=O)CCNC(=O)CCN1C(=O)c2ccccc2C1=O)c1ccccc1C#N 1858018788 KFGOXOHNNQNZAV-UHFFFAOYSA-N 404.426 1.714 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccnc(Cl)c2)cc1 1859012664 AAGPFXQXTUFWEY-UHFFFAOYSA-N 421.862 1.756 30 10 HDEE O=C(NCCCn1ccnc1)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869932252 YGNOTALRAXWOFH-LJQANCHMSA-N 423.498 1.869 30 10 HDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCn1ccnc1 1869933848 PVDASGXXQDQNDK-RHSMWYFYSA-N 403.508 1.543 30 10 HDEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1 1871280926 XNZIVWTXTLZYPK-UHFFFAOYSA-N 404.429 1.661 30 10 HDEE N#Cc1cccc(NC2=C(c3cccnc3)C(=O)N(CCN3CCOCC3)C2=O)c1 1873270719 CHAUPUNIABAIMY-UHFFFAOYSA-N 403.442 1.477 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 1889703848 DLVIGHOADCTSDY-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE Cc1c(Br)cc(C(=O)N2CC(COc3cccnc3C#N)C2)c(=O)n1C 1890236835 RVGNPHCGKDHKFO-UHFFFAOYSA-N 417.263 1.874 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1890523011 GBUCHXNBVAYYRL-NVXWUHKLSA-N 420.425 1.715 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1891255447 JKEYRHHJWYPPEP-CQSZACIVSA-N 423.498 1.573 30 10 HDEE C=C(Br)CS(=O)(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1962318925 LMIYLAVSHAHRCT-UHFFFAOYSA-N 401.323 1.698 30 10 HDEE CON(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 1985103152 QWBMJGGRFGWDGR-UHFFFAOYSA-N 408.264 1.513 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985201945 DWFDYKAPPAAIOC-OALUTQOASA-N 415.538 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1991831113 DBQXYTQRACSANC-VBKZILBWSA-N 424.498 1.330 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)[S@](=O)CC1(O)CC(C#N)C1 2074687151 PRKCMCHBAYKYGT-JTTURVHLSA-N 408.476 1.558 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)CC1(C#N)CCOCC1 2174790206 ZXCRGZADKPUERQ-HUUCEWRRSA-N 401.529 1.966 30 10 HDEE N#Cc1ccc(CS(=O)(=O)Nc2ncc(I)cn2)cc1 2189859644 HHAFZWLSPSVZDU-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE O=C1NC(=O)N(CC#CBr)C(=O)[C@@H]1c1ccc(Br)cc1 2198129377 YAMLVBGOOXFQQN-SNVBAGLBSA-N 400.026 1.967 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247285465 RUPASPGJXMUHQG-JKSUJKDBSA-N 419.331 1.845 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247834012 PMSCFSKCLUMNAP-AWEZNQCLSA-N 420.319 1.809 30 10 HDEE C[C@@H]1O[C@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2248479553 RDSLWWIALBHIAQ-WVFSVQOHSA-N 420.315 1.952 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@@H]3CN)cc2Cl)OC1(C)C 2282313006 FBOJYPJDIRAHLP-JTQLQIEISA-N 422.765 1.049 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(CCO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282315554 POPOVZIFILXEFF-UHFFFAOYSA-N 401.359 1.797 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(O)CCSCC2)OC1(C)C 2282333818 SYWNUBBVZIGVPE-UHFFFAOYSA-N 419.399 1.584 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1COCCO1 2282348251 JCGBZOLRGSUXKR-RYUDHWBXSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H]2C(F)(F)F)OC1(C)C 2282413742 IUXNWDUKJKDFHV-JTQLQIEISA-N 412.264 1.909 30 10 HDEE CN1CCC(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282498923 LEZSWCMDBKIVBZ-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CN([C@@H](CO)CC1CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282499837 GCFMSVOUUVMJRP-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282502764 PNKDWHXKJRDCKV-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CC[C@@H](O)CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503918 HOCUONIADJCORD-GFCCVEGCSA-N 404.363 1.413 30 10 HDEE C=C(CS(=O)(=O)N[C@H](C)[C@@H]1CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282509060 FOYJRXAWKBWSMH-ZIAGYGMSSA-N 407.363 1.307 30 10 HDEE CN1CC[C@H](CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282835105 PKURIXCSGKFPDO-LLVKDONJSA-N 420.793 1.931 30 10 HDEE C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282838682 SNKVEJMKWMHWOZ-RYUDHWBXSA-N 402.347 1.381 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCSC1 2282856140 OFMWVCJIJOJAJC-INIZCTEOSA-N 419.399 1.848 30 10 HDEE C=C(CS(=O)(=O)N[C@H](C)C[C@@H]1CCCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2282872731 AQVOKTQOWMKPBF-KGLIPLIRSA-N 407.363 1.449 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)OC1(C)C 2284397977 SDSNFSLPSKBVNQ-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(C(=O)O)C3)ccc2Cl)OC1(C)C 2284418542 ZNQSCXZTMGKJMF-UHFFFAOYSA-N 401.677 1.344 30 10 HDEE C[C@@H]1CCN(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2290353669 DUXHTVZEDSNGDA-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365171999 RRKWLGLVMFZSGQ-LJQANCHMSA-N 401.525 1.923 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2365208643 DEURATFZZVRFCL-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2365212193 PLEJDZQQPMQXAF-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367790764 VXGSYSDCTRMDLK-OWCLPIDISA-N 402.557 1.863 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)n1 21315685 YVXFSAUJNDYRSV-UBKPWBPPSA-N 404.481 1.639 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 28645527 BGDWMFMEAOYGTJ-VFNNOXKTSA-N 417.487 1.305 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)N(C)C)CC2)cc1 48548278 XBZGOHKRMNDBKD-UHFFFAOYSA-N 408.524 1.825 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 130028589 JVJAKHANXZJRDZ-QMMMGPOBSA-N 408.217 1.770 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 439298310 AWICUARAHWPKHB-NXNVCVFFSA-N 401.419 1.914 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C2CCCC2)CC1 439935098 UDTKAEGLPCBHGO-LJQANCHMSA-N 416.547 1.798 30 10 HDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)n[nH]1 440746835 KPUVGIWOSFOSBP-UHFFFAOYSA-N 411.466 1.055 30 10 HDEE C[C@H]1CC[C@@H](C)CN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 464817761 YOGSJKGNLJDBNQ-SJORKVTESA-N 404.536 1.512 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 465493127 MRZBWTOQJKMGPA-LPHOPBHVSA-N 404.474 1.690 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1C 507923884 VVKMCNBFIKBSBN-UHFFFAOYSA-N 417.491 1.320 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1Cc1ccccc1 531598237 CWFVASRSCOFHPC-UHFFFAOYSA-N 419.506 1.919 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 534987427 QFMPHEJQPUYWLB-QGZVFWFLSA-N 418.538 1.512 30 10 HDEE C=CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 558571726 NCODIKCZZRKICZ-SECBINFHSA-N 400.806 1.690 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 559592711 FENJVXQKTZYQQB-UHFFFAOYSA-N 404.452 1.379 30 10 HDEE COc1cc2c(cc1F)CC[C@@H]2NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 573375384 CTJXJVZAGBSOEE-KRWDZBQOSA-N 403.435 1.788 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(F)cc2C1 577920269 IYBTXXQCNYMAJF-GFCCVEGCSA-N 409.487 1.785 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 579041879 BLEWASIQLPNXTC-HNNXBMFYSA-N 406.468 1.557 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccc(F)cc1 603991062 VOAMCZOPMMPAMU-UHFFFAOYSA-N 421.453 1.222 30 10 HDEE C[C@@H](C#N)CN(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CC1 611094759 WKSOHAXSVJLHNC-HNNXBMFYSA-N 405.524 1.779 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3cnccc23)c1=O 611917486 FTGDUDPFYDQALO-UHFFFAOYSA-N 404.495 1.672 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NC(=O)COC)CC1 669804171 ZXLXZADKLKDQQS-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C=C\c2ccccc2C#N)CC1 727743327 VJHSFEYJNQPIDH-KHPPLWFESA-N 410.499 1.828 30 10 HDEE C#CCN(C(=O)c1nn(CC(C)C)c(=O)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 729332030 TWCNORCRUHXDCU-OAHLLOKOSA-N 401.488 1.315 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(Cc3ccccc3)n2)cc1 731701747 KIRDKOMKHLVLPZ-UHFFFAOYSA-N 411.439 1.929 30 10 HDEE C#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 733247729 OPHAIHSCJLFORP-UHFFFAOYSA-N 405.520 1.451 30 10 HDEE C=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(=O)OCC 734029878 ZNGQVSAQNQWQHP-UHFFFAOYSA-N 417.867 1.637 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(Cl)sc3c2)CC1 746619748 LNVWIVGZHSSHLM-UHFFFAOYSA-N 414.940 1.558 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 756676812 UEBRVBHVYAGXMC-MRXNPFEDSA-N 418.471 1.561 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)c1 756976769 ZFPSGVAOEXMFJP-LPHOPBHVSA-N 413.522 1.912 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 760421943 FSLGYSBOTQMKBO-HNNXBMFYSA-N 400.435 1.684 30 10 HDEE Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n(C2CCOCC2)n1 771785200 LAMAHBXDZJRKOD-UHFFFAOYSA-N 417.491 1.610 30 10 HDEE C#CCN(C(=O)NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 774196200 RMHWPXOXWGAEPT-SFHVURJKSA-N 408.495 1.706 30 10 HDEE Cn1nc(S(C)(=O)=O)c2c(=O)n(Cc3cc(Cl)ccc3OCC#N)cnc21 783113098 UECSRRLKIAPZEN-UHFFFAOYSA-N 407.839 1.138 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1 783208145 BIYLAFDYLMPBEJ-UHFFFAOYSA-N 400.362 1.967 30 10 HDEE CCOC(=O)c1cnn(CN2CCN(c3c(C#N)c(C)nn3C)CC2)c1C(F)F 788043284 CTYBDHBVINRVSF-UHFFFAOYSA-N 407.425 1.691 30 10 HDEE N#Cc1ccnc(N2CCC[C@H](OC(=O)Cn3c(O)nc4ccccc4c3=O)C2)c1 791975704 BINQVGDQAYHHCG-HNNXBMFYSA-N 405.414 1.581 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 796989129 JXBUSGYJMLEPOL-OAHLLOKOSA-N 409.439 1.117 30 10 HDEE C[C@@H](C(=O)OCC(=O)NCCc1ccc(OC(F)(F)F)cc1)n1cnc(C#N)n1 798742854 VMWIZECYGLRWES-NSHDSACASA-N 411.340 1.511 30 10 HDEE C[C@H](C(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798745408 ZGQAGTRNROZTML-UKRRQHHQSA-N 411.418 1.389 30 10 HDEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@@H]1COCCN1CC(F)F 798844362 WMBABWRSFYVEJT-FQEVSTJZSA-N 422.472 1.770 30 10 HDEE C#CCN(C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@@H]1CCCO1 802689847 SFEHLDXBBAIMIF-KRWDZBQOSA-N 417.535 1.656 30 10 HDEE CC(C)(C)C1=CCN(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 803122539 SBRFBLVBQAJBEK-UHFFFAOYSA-N 418.563 1.910 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 803596187 DFTKDKNLTJSZCX-JCGVRSQUSA-N 413.471 1.479 30 10 HDEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780744 FQPHTSFMBGVICW-UPTRSRDDSA-N 407.471 1.213 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 809920864 FRIRSAZIWZMWNI-HUUCEWRRSA-N 404.471 1.501 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(F)cc1 812876409 MEKOOVOYWCJEIQ-IBGZPJMESA-N 408.433 1.571 30 10 HDEE Cc1cc(S(=O)(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 814397812 BUKWSLLUUDNUKH-UHFFFAOYSA-N 407.492 1.877 30 10 HDEE N#Cc1cscc1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 814613919 XARNUGOSIWUOQV-UHFFFAOYSA-N 413.455 1.565 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1CC(C)C 837714725 RVUMASJBBQHLPI-UHFFFAOYSA-N 422.510 1.694 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(C)c2)c1=O 838649151 VGSGOAHKNRVOPT-UHFFFAOYSA-N 421.526 1.216 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 916775716 GPXNRBITNGWFSR-UHFFFAOYSA-N 423.472 1.196 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc(OC)c1OC 1127754222 UWLZOGYUCKSJRF-XQLPTFJDSA-N 408.476 1.749 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnn2cccc(Br)c12 1136672066 AMCQAQHNQXNBOU-DTQAZKPQSA-N 404.224 1.353 30 10 HDEE CC(C)COC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1137048511 VQGSKTFDEZEPMP-UHFFFAOYSA-N 405.520 1.842 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C4CC4)C(=O)C3)C2)C1 1137162584 XYCHACSDGSKWIB-FAGJFJLWSA-N 402.495 1.606 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1140132436 GAMFSOMDNCUDSL-ZWKOTPCHSA-N 418.538 1.058 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3)s1 1141967555 ZENDWRSTMBCTTI-UHFFFAOYSA-N 407.473 1.725 30 10 HDEE C=CCn1cc(C(=O)N2CCN([C@H](C(=O)OC)c3cccc(Cl)c3)CC2)nn1 1149755737 BAWCOXDVSWLEGD-KRWDZBQOSA-N 403.870 1.790 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1c2ccccc2C(=O)N1C 1171491255 SMNYHCYZROWDBN-ACJLOTCBSA-N 412.471 1.168 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1177759013 JUADNKBHUUOTTP-IIBYNOLFSA-N 404.511 1.746 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1206358775 UMHFLZGXZFIPGH-JXFKEZNVSA-N 407.536 1.979 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1212123416 LUCSBRXLNJLIOG-IAGOWNOFSA-N 408.476 1.129 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1215390203 YKUMNYJWJNPBTG-IBGZPJMESA-N 415.490 1.998 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)n1 1228007056 AKDLXTRXXBGGEM-UHFFFAOYSA-N 421.383 1.223 30 10 HDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1254489377 RTLITXGYEUSAEI-GOSISDBHSA-N 403.479 1.700 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cn1 1254910985 UNXBPVQSFDAMHN-UHFFFAOYSA-N 411.443 1.086 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 1255362671 GAPNYSXVRXAGPF-GOSISDBHSA-N 414.941 1.913 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286370912 BGXFHJOFDOYSJW-HXUWFJFHSA-N 419.533 1.829 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286384925 KSOJOJQYHSVPPM-BRWVUGGUSA-N 410.540 1.224 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286503282 DAPPGPLVVVYMQL-AWEZNQCLSA-N 406.537 1.115 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1286645260 ADKLYGMZJOFKDY-KRWDZBQOSA-N 421.567 1.739 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286701680 BREOHZVHQIVJTA-SFHVURJKSA-N 418.567 1.996 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1286810514 SEHAYXSPGSFDHN-KBPBESRZSA-N 417.432 1.632 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1286829174 FAOOZUJRAIPFKK-UHFFFAOYSA-N 402.524 1.730 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1288303318 VXLBJPSVQGGULO-AFJIDDCJSA-N 421.567 1.970 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1291303252 PFUSUNVJHSUNJL-OAHLLOKOSA-N 419.507 1.103 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1295187943 SEEXMCXYZGOPOP-UHFFFAOYSA-N 403.479 1.519 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccn2)c(=O)nc1O 1296035457 HFYHNAXVMVRRKC-KRWDZBQOSA-N 409.833 1.969 30 10 HDEE C=CC[C@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1296237007 SSRWTXQKHXPDGE-ORAYPTAESA-N 400.447 1.586 30 10 HDEE CN(CCC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1298640163 MQCFPLACEDCQSN-HTXNQAPBSA-N 408.466 1.498 30 10 HDEE C#Cc1ccc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)nc1 1298845967 GJFBRRRKPZINEF-UHFFFAOYSA-N 417.512 1.684 30 10 HDEE C#CCN(C(=O)[C@H](F)C(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299463686 XTCNHVLNBZUGGJ-IBPCWRJOSA-N 402.388 1.763 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)cc1 1300125531 GWNYACTUYAXUQA-LJQANCHMSA-N 424.505 1.327 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1N1CCOCC1 1300529990 UMDMFUAIMMLBBG-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H](C)N1CCOCC1 1300545935 YCXLEAUWGAYTOE-FQEVSTJZSA-N 421.545 1.865 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)CC1 1301066689 TUCIUQGRRASMHI-CQSZACIVSA-N 418.523 1.192 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H](C)O1 1301358484 CCDLUVNCHWKPJM-DNVCBOLYSA-N 412.494 1.583 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1303190058 URYNNSFXODVQSD-OAHLLOKOSA-N 422.493 1.885 30 10 HDEE Cc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1304495298 BCCCFDUDNQBDKT-OAHLLOKOSA-N 402.524 1.985 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1305298470 JRHASGAJWFCLGY-IBGZPJMESA-N 405.524 1.849 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1306533783 CTERPOYWHVYVDL-ORAYPTAESA-N 402.455 1.286 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1310161808 INVZDFPWJOGOJT-RELWKKBWSA-N 405.524 1.576 30 10 HDEE CN(CC1CCOCC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314815538 NXTYPMVRDOODIL-ISLYRVAYSA-N 416.526 1.965 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCCCCC2)CCO1 1316538756 ALIKBQNBHVUFJX-QGZVFWFLSA-N 401.515 1.005 30 10 HDEE C#CCN(C(=O)c1nc(C(C)C)ncc1Br)[C@H]1CCS(=O)(=O)C1 1352904776 IHABWIYEIOBWNV-NSHDSACASA-N 400.298 1.625 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358871748 JYJBFAVMSKPODT-HUUCEWRRSA-N 405.524 1.541 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1358938688 HVPJXDJEDJFBGC-KXBFYZLASA-N 405.524 1.256 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1358955371 KPTHYJPGJRUCEU-ZDUSSCGKSA-N 408.553 1.490 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358964304 XFGFWIRJPQTCTG-CABCVRRESA-N 416.494 1.528 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCS(C)(=O)=O 1358998127 RARIRRIUPASNEJ-UHFFFAOYSA-N 404.467 1.504 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1359001503 WGMAXRPYUUGJHV-FQEVSTJZSA-N 424.567 1.603 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1359277486 NMKIMPKGROLQAE-OXJNMPFZSA-N 401.467 1.209 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1359298173 PRHIKSIAPWJKSZ-UHFFFAOYSA-N 408.462 1.993 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccco2)C1 1359325121 YSHXTLXAIDUSGA-KKSFZXQISA-N 415.494 1.683 30 10 HDEE C=CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1435660173 QNDQQOOUESFXQG-UHFFFAOYSA-N 417.487 1.849 30 10 HDEE C/C(=C\C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CN1CCOCC1 1440528696 KDVIRHXAOGTBJO-DTQAZKPQSA-N 411.462 1.733 30 10 HDEE CC(C)(C)OC(=O)COc1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 1443535563 KFLDZRWWGRPGNV-CZIZESTLSA-N 415.446 1.663 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1459460387 BKJBUKDWXQABDL-UHFFFAOYSA-N 404.264 1.688 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1 1462580376 JWCGPAKPXMLVOW-QGZVFWFLSA-N 410.455 1.892 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C 1469508326 BDPGDSPYQMYAGY-HUUCEWRRSA-N 403.545 1.780 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 1471335658 GHLJIGYPTHGLID-CQSZACIVSA-N 424.489 1.082 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)cc1 1471805775 STGHOSSBBHPXAL-NGEICVOHSA-N 422.503 1.382 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)C1 1471832174 ALIVVUICPCENKP-LJQANCHMSA-N 419.547 1.097 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1477631796 XMYLWGQVTMKETM-QZTJIDSGSA-N 400.523 1.690 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 1478257258 AWAPBLMBTLRHSR-UHFFFAOYSA-N 401.510 1.013 30 10 HDEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478383044 ZCCOWVIRZJRLDV-GQIGUUNPSA-N 403.504 1.695 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)o1 1498283114 BYQPPXBDGUDEQJ-TZMCWYRMSA-N 406.512 1.826 30 10 HDEE CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1501166854 FBVJCTROWQZFJF-BEFAXECRSA-N 422.555 1.227 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503370815 BWADXLFCHDGLTA-UHFFFAOYSA-N 418.505 1.555 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(CC(C)(C)C)n1Cc1ccc(C#N)o1 1503441753 YPVRSCPHFNPXRH-UHFFFAOYSA-N 400.483 1.675 30 10 HDEE COc1ccncc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1504453187 HBSCLBBFYBCKAV-HNNXBMFYSA-N 420.433 1.106 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(N)=O)CCOCC1 1505056348 HQZFLRWAPBIIQA-JYJNAYRXSA-N 420.514 1.023 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1507519560 SLAQAVGYKFQPAA-IIBYNOLFSA-N 403.527 1.837 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCNS(=O)(=O)CC 1507541614 HLVNMIMCWLSGJO-INIZCTEOSA-N 405.524 1.563 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1507605208 RJLRSSMIVOBMLU-RXVVDRJESA-N 405.543 1.356 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507623690 VRYKIGQGBCFNRY-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H](O)C1 1507704278 WEFMPFGLOJZIKG-JQVVWYNYSA-N 420.554 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1507734288 KOSCDIYSCZNNOH-INIZCTEOSA-N 406.490 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2CCN(c3ccncc3)CC2)CC1 1507736097 MAMBRMLVNAXHTD-UHFFFAOYSA-N 421.549 1.864 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NCCC)CC1 1507738908 HRKIFQSGDSCRPO-UHFFFAOYSA-N 416.570 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)COC)CC1 1507739102 MSVAMBUYBLPJBE-GOSISDBHSA-N 417.554 1.811 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CC(N)=O 1507810560 XHFKEQNCEBTLLP-KNBMTAEXSA-N 415.542 1.821 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507840596 RUTFLRKDDLBDJF-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1)C1CC1 1507994316 ZLAHHQYBIUNQMH-CQSZACIVSA-N 405.528 1.096 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1508058372 RDHIMRYCFUYOEI-ROUUACIJSA-N 424.553 1.548 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@@H]2OC)C1 1508107606 BDWUHQLKBPBBDU-ZACQAIPSSA-N 407.515 1.249 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@@]3(CCOC3)C2)nnc1C(C)(C)C 1508150077 ZIQACFYLFXRKFO-BEFAXECRSA-N 412.556 1.561 30 10 HDEE CC(C)(C)c1nnc(N2CCC(C#N)CC2)n1CCNS(=O)(=O)Cc1ccon1 1508485661 CGMJWAPHBWXQFC-UHFFFAOYSA-N 421.527 1.423 30 10 HDEE CC(C)[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1509037412 BJDSBLJJXSCSDD-QGZVFWFLSA-N 402.524 1.991 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N2CCCC2)CCOCC1 1509577208 FUYBPLBZNUFERK-KRWDZBQOSA-N 417.558 1.800 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C 1509633823 HMKFWPISUBMMMN-INIZCTEOSA-N 403.531 1.267 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1519466673 CDXDPBIJLOXTOQ-MRXNPFEDSA-N 400.483 1.695 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2ncc3c(c2C#N)COCC3)cc1 1525914130 VUZDRGQTMFRORW-UHFFFAOYSA-N 402.432 1.460 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)CCC2=O)cn1 1535595979 KBZWZHIBJAIPSL-KRWDZBQOSA-N 403.446 1.918 30 10 HDEE Nc1c(O)nc(O)nc1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1536952414 CZSQEBTVNJECJY-IMJSIDKUSA-N 422.232 1.713 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(CN3CCNC3=O)CC2)cc1Br 1538538180 NELOEZCDRVUVNM-UHFFFAOYSA-N 421.295 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1538964246 VVLDMUBTCRNSMP-OAHLLOKOSA-N 417.535 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1538978007 ZKHSVLYGMAWEJB-QVKFZJNVSA-N 412.494 1.927 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1539132587 NVWAVAVUGRPJTN-UHFFFAOYSA-N 419.555 1.025 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1539148421 KLEVHYHWJASSMM-KGLIPLIRSA-N 405.549 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1539171212 IRVBNUBEOFCCMB-QFIPXVFZSA-N 419.489 1.223 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1539220449 SKKDTCYRLMPVGE-QGZVFWFLSA-N 417.535 1.555 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CCC(C)CC2)CC1 1539446206 USZLWDWVACIJLF-IBGZPJMESA-N 408.554 1.611 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)N(C)C)CC1 1539459554 JNFPUBQDOKXPOI-UHFFFAOYSA-N 410.522 1.133 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)[C@H](C)CC)CC1 1539459813 OPXRUBYEZIJGKK-YLJYHZDGSA-N 413.570 1.956 30 10 HDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)OC 1539498873 XUAADOOAPFREAF-UHFFFAOYSA-N 408.553 1.911 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539621284 QBLPXBCBDVKKCK-BZSNNMDCSA-N 411.572 1.676 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1539999114 XIPNEMQQVVIREH-QWHCGFSZSA-N 414.432 1.700 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540034031 UGNVSWKSSWTHCP-SJORKVTESA-N 413.526 1.939 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(F)(F)F)C1 1540861799 GYGIERBNWPKKHF-ZDUSSCGKSA-N 414.432 1.595 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(=O)NC)C1 1540890009 YAUBBJQAGLPAPA-CQSZACIVSA-N 423.477 1.511 30 10 HDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1541845551 HQMQTPNMOLEQIT-INIZCTEOSA-N 420.525 1.222 30 10 HDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cnn1C 1542110335 GRWGKDXUHWYLCU-BEFAXECRSA-N 417.539 1.401 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cnn(C(C)(C)C)c1I 1544116849 IKVCBEKWKXJPQF-AWEZNQCLSA-N 403.268 1.816 30 10 HDEE C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1544785230 CMJHKDOIYWUNQL-CQSZACIVSA-N 415.881 1.769 30 10 HDEE CCc1c(C(=O)Nc2c(C#N)c(C)c3ccccn23)cnc2c1c(=O)n(C)c(=O)n2C 1544895382 YVNVAVUITDKJOZ-UHFFFAOYSA-N 416.441 1.880 30 10 HDEE CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1547244078 CMMLTYOFROGCFA-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE CCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)cn1 1547622894 GNXMHFYSLHWYRR-BXWFABGCSA-N 403.462 1.709 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nncn1C 1555731538 OHLLRPXXQZWETQ-HKUYNNGSSA-N 422.493 1.687 30 10 HDEE C=CCn1cc(CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)nn1 1557104256 MTUIKDKIZUZFOM-NDEPHWFRSA-N 411.528 1.229 30 10 HDEE CCOC(=O)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1557299800 CMXJOFDXLWAICH-SFHVURJKSA-N 421.519 1.743 30 10 HDEE CC(=O)N1C[C@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C[C@H]2C1 1558120316 YQHOYPNNJGWBOM-AWVYRSRRSA-N 416.522 1.710 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cn(C)nc2Br)c1 1561145403 FCKPPKHMCQGEHM-UHFFFAOYSA-N 411.281 1.423 30 10 HDEE CSc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C)C)cc1 1564815454 ATRCENHFSPKCAS-IEZWGBDMSA-N 422.576 1.591 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1565156166 DEBJTIUSCGWSIV-MRXNPFEDSA-N 403.479 1.600 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1565687817 ZPESOTIMNUBVJZ-UHFFFAOYSA-N 418.490 1.994 30 10 HDEE CN1CCC[C@](O)(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1583854460 SPFRSFRUWWFMMT-QFIPXVFZSA-N 408.506 1.444 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585978345 BNOSPMPRMXTZJW-JTQLQIEISA-N 400.298 1.306 30 10 HDEE Cc1ccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cc1S(=O)(=O)NCC#N 1586010453 NQAQUXYKAYCIGG-UHFFFAOYSA-N 415.519 1.755 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1587562345 OGGGOWWUKZCOCE-DZKIICNBSA-N 424.596 1.711 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1588053513 FHUAMVWKYMXVFH-SJORKVTESA-N 419.507 1.491 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1cnnn1C 1588166809 PURFQOUWBMFUTN-UHFFFAOYSA-N 407.503 1.829 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1588314467 FSZQOMNUZPNJCM-LSDHHAIUSA-N 404.515 1.992 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNC(C)=O 1588647566 XFYGWQNSVOOBKW-IBGZPJMESA-N 413.478 1.403 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CC 1589149949 BHPOWINIDMXWBR-TXPKVOOTSA-N 408.572 1.365 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589515102 LBGFOZUEXWCKBP-QRVBRYPASA-N 411.506 1.878 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1594813090 OBZGLTZAENCCNM-INIZCTEOSA-N 410.540 1.390 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595516550 GWTDVBFWHTXOBJ-CYBMUJFWSA-N 423.926 1.524 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(CCC)CC1 1595562164 PHXJDMNHSQSYAY-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2CSC)nnc1[C@@]1(OCC)CCOC1 1595603204 ZLYUHAAQQPPWQZ-DNVCBOLYSA-N 409.556 1.564 30 10 HDEE C#CC[C@]1(C(=O)NC[C@H](C(=O)OC)[C@@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 1607759588 CBMUNCDZPUZHRA-VWKPWSFCSA-N 408.495 1.721 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1611319438 GSZVRGZQAPGUET-GQIGUUNPSA-N 402.499 1.477 30 10 HDEE C=CCn1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@H](C)O4)CC2)nn1 1611499527 ZLTXDAWYOMQMPT-ZDUSSCGKSA-N 409.446 1.919 30 10 HDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613635416 MCHRVDJTKHZWGU-ZBFHGGJFSA-N 411.466 1.189 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C)Oc1cccc(Cl)c1)c1cc[nH]n1 1618577307 IJJLYSGRGAJKEO-LBPRGKRZSA-N 408.842 1.931 30 10 HDEE CO[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618942615 QLSCTADPZCBONH-SJLPKXTDSA-N 411.510 1.800 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1620042380 IOISWULGHOLRMH-IAGOWNOFSA-N 414.466 1.327 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1620077122 GCKYIPCYDWSWFE-GOSISDBHSA-N 413.478 1.869 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1)C1CSC1 1624604935 BTXNHBJRFAJKMY-AWEZNQCLSA-N 419.503 1.577 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1625165595 QSXVOGHAIRMDDQ-HNNXBMFYSA-N 402.472 1.553 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3c(F)ccc(Br)c3F)C[C@H]1CS(=O)(=O)C2 1626655862 MPUUZOXBKLTOSR-VFZGTOFNSA-N 419.247 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCOCCO 1632474386 MVEUSWAKAWOOEL-GOSISDBHSA-N 403.479 1.908 30 10 HDEE C=CCOCCNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1635286423 BXQAGUXVLLMTFZ-UHFFFAOYSA-N 402.539 1.860 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2c3ccccc3C(=O)N2C)cc1S(=O)(=O)NCC#N 1635638288 JBOHFYMMMWEVTF-QGZVFWFLSA-N 412.471 1.354 30 10 HDEE C#C[C@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)c1ccc(Br)cc1 1636563188 UOWXZAIYRGKTRG-GJZGRUSLSA-N 415.309 1.314 30 10 HDEE Cn1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)c(-c2ccc(C#N)cc2)n1 1638375644 QASNYCFKODSLSW-MSOLQXFVSA-N 403.446 1.005 30 10 HDEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1638949194 OHDFSOBXRGWKJI-LRDDRELGSA-N 406.439 1.507 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1639821727 LDNCWGCIFPZWAU-MGPUTAFESA-N 419.503 1.825 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3C(=O)c3ccc(F)cc3)C2)c(=O)nc1O 1640636490 IRUNYYDDIFIOMA-UHFFFAOYSA-N 418.384 1.888 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1640817571 YXHKNKWXSAGISN-HXUWFJFHSA-N 404.515 1.795 30 10 HDEE O=C(CCCOc1ccc(I)cc1)N[C@H]1CCN(O)C1=O 1641379330 VJLHEKMSFZQDIC-LBPRGKRZSA-N 404.204 1.557 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)c1 1643031306 GLUKBGYKTIUZGS-HXUWFJFHSA-N 415.515 1.946 30 10 HDEE CC(C)CCNC(=O)C1CCN(C(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)CC1 1643725465 BNBSOZAENJOJCS-NRFANRHFSA-N 414.550 1.924 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1644220050 WIDQXALUGMTOOO-VHDGCEQUSA-N 401.220 1.038 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)cc1 1644264746 HZZBOLLFHJSCSO-DZGCQCFKSA-N 404.410 1.828 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 1644438672 SVWCRFJBYUFCTR-XVKPBYJWSA-N 402.266 1.992 30 10 HDEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C1CCN(C)CC1 1646421102 LGCJQCCHOCFCFQ-UHFFFAOYSA-N 414.325 1.266 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)OCC 1656399680 DGHJXLLHUUFBAY-HNNXBMFYSA-N 400.884 1.948 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 1658543854 RGAUUQUVHKYWOV-UHFFFAOYSA-N 409.512 1.951 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1659967352 ILEWQZAJKQNBDD-CQSZACIVSA-N 411.462 1.447 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1COc2cccc(Br)c2C1 1670882078 BZBQNVKELCNNBU-NSHDSACASA-N 403.298 1.653 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)CC2)cn1 1671565989 BITALKSWSHRLKF-QFIPXVFZSA-N 420.517 1.552 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)O3)CC2)c1C#N 1675808962 NQSKNTCFWZAXEV-ZFWWWQNUSA-N 414.432 1.932 30 10 HDEE C#CC1(O)CN(C(=O)NCCc2ccc(OCC(=O)Nc3cccc(C)c3)cc2)C1 1675876078 FWKGCUXIPADINH-UHFFFAOYSA-N 407.470 1.945 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CC1 1683180720 ARBQAEKBVJOSAD-IRXDYDNUSA-N 402.520 1.603 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC[C@H]3[C@H](C#N)c3ccccc3)nnc2c1=O 1685240860 QLDKNJFKSVAJAR-SJORKVTESA-N 405.462 1.452 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)N1CCOCC1 1686874063 PXFGXMPCLBSYNH-SFHVURJKSA-N 414.510 1.058 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1687449770 KWDIDCWLVVVSHC-UHFFFAOYSA-N 420.539 1.035 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1689930124 LBHIEPBIRIIORJ-DLBZAZTESA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1689971977 CNQSMHASQIANPZ-UHFFFAOYSA-N 416.547 1.463 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689991117 WCDPQJQQTDTJGR-JKSUJKDBSA-N 420.560 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1690148377 FFNDDLOGIJCLNN-ROUUACIJSA-N 400.571 1.927 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(N)=O)c1 1690188235 GDQLLSRJBUPZSK-HSZRJFAPSA-N 420.517 1.848 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)Cc1cnn(C)c1 1690674821 GKZSCEGRUPTKTR-UHFFFAOYSA-N 411.514 1.202 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1690746924 NWRSGPLIJPGPRS-GJZGRUSLSA-N 415.585 1.376 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1690819729 MYAIASLUWJAZND-FQEVSTJZSA-N 424.505 1.681 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1692519360 IPTUJKICHDBDIJ-UTKZUKDTSA-N 416.526 1.884 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705565087 SGWBQVSQHGEBOB-OAHLLOKOSA-N 405.524 1.335 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705568077 GYZSKFLETWEJPF-GOSISDBHSA-N 418.567 1.813 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cn2ccsc2n1 1705585256 PDBNHDHLMZRVSK-UHFFFAOYSA-N 404.503 1.970 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1705605417 KOCCOYYWEWDWJC-LQWHRVPQSA-N 406.527 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1705638315 GJMZDHFACJKVJB-LNLFQRSKSA-N 400.527 1.046 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)COCC)CC1 1705642264 NHHOWQTZLIQYHF-UHFFFAOYSA-N 413.570 1.958 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705758711 AVGYVTXZNPVYHU-UHFFFAOYSA-N 405.890 1.388 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCOCC1 1705838158 FCGNEDQCTGLBAV-UHFFFAOYSA-N 423.525 1.655 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1705839444 APVLZNRIKFCAHW-UHFFFAOYSA-N 420.470 1.814 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1705895081 SZTHRTREQLEZJK-GJZGRUSLSA-N 413.482 1.231 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(C)cc2C1 1705901560 PCCDDOXRXHTIMQ-KRWDZBQOSA-N 424.505 1.411 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)C1 1705926246 ZZWLKFDHCCTNFI-GVDBMIGSSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1705937631 ZOPASKNJJFOZQT-QGZVFWFLSA-N 409.512 1.973 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1706745502 BQKGCXVRWWMMBI-QGZVFWFLSA-N 413.574 1.691 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C(C)C)CCO1 1711360354 GTBIKSAWQVANMQ-MSOLQXFVSA-N 412.494 1.439 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1722284914 QNTIXXRSMNABMB-WBVHZDCISA-N 409.494 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1722296609 SNLBODQWXYWVIP-HOTGVXAUSA-N 411.572 1.751 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCSC2)CC1 1722438898 GRPGCIBTOFUFCT-JOCHJYFZSA-N 411.575 1.801 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N[C@@H](C)CC 1722464407 FJKIDVXHPCQTEC-HRAATJIYSA-N 400.527 1.811 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722603737 MIAACEBFVIUMFR-QVKFZJNVSA-N 416.526 1.953 30 10 HDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1722627290 MWYICQPEZUMFJL-UHFFFAOYSA-N 418.523 1.189 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ncn(C)n2)C1 1722723533 ZVYFFQVVRGRHOU-OAHLLOKOSA-N 400.512 1.592 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722727618 KDNVZXSFZPHJSJ-DLBZAZTESA-N 424.567 1.514 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1723770989 CNFGWDAOPFZZJW-NVXWUHKLSA-N 404.515 1.801 30 10 HDEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1728511692 FSHIBZOFTCAUQW-YJBOKZPZSA-N 412.535 1.352 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1729487671 NOQZJBAMKGXUFH-DLBZAZTESA-N 410.478 1.480 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740616560 CNNIJQBJYNIYPS-OCCSQVGLSA-N 408.553 1.627 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1740622200 VYNUSFOZVJZFIJ-GOSISDBHSA-N 417.535 1.784 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1740670135 MVQUIALLMRHBLQ-OAQYLSRUSA-N 411.510 1.063 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOCC(F)(F)C(F)F)CC1 1740703608 YJWZUYIDILNECW-UHFFFAOYSA-N 405.396 1.469 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740787103 AJAIFKSNRIVURW-CVEARBPZSA-N 404.515 1.857 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1740795471 VRYJCOBQNOOWEG-MRXNPFEDSA-N 410.540 1.390 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 1740867645 RCPDAXLBOPOSHD-OTWHNJEPSA-N 405.543 1.879 30 10 HDEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740872516 MFFCPKVFAVSWLE-AWEZNQCLSA-N 414.897 1.712 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCSC2)C1 1740963691 UFXNKSGRSZBHRF-LJQANCHMSA-N 404.540 1.036 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1741876165 CCYWQNQARDFZNI-UWJYYQICSA-N 412.542 1.777 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCOC 1748104626 AYHLPAIBZWBJEK-YCRPNKLZSA-N 414.510 1.423 30 10 HDEE CNS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748295337 XXJAZYHUPBJTDO-MSOLQXFVSA-N 414.535 1.838 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1748791147 PJDCCXJZSXXGPL-QGZVFWFLSA-N 403.508 1.037 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1nccn1C(F)F 1748825190 RKGUQSBWJJRMKX-UHFFFAOYSA-N 403.437 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1CCOC1 1748830910 ACYMZNKEIPKKMJ-QGZVFWFLSA-N 412.515 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748889821 HAYGXLBWMTUJOD-DPPKGPFUSA-N 422.489 1.161 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)N(C)C)CC1 1748986471 ALNGWJVLPCSDTH-INIZCTEOSA-N 420.521 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1749005161 SNKOHLLYXONWNG-MRXNPFEDSA-N 400.527 1.282 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nnc3n2CCC3)CC1 1749015465 WTHGQIJLOPGFRN-UHFFFAOYSA-N 424.553 1.419 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1749459212 BOQQNKHHJJCNLO-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC12CCOCC2 1749590189 RPOOCJUHYHTVGP-QGZVFWFLSA-N 403.527 1.970 30 10 HDEE COCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749733187 CUUVEDABUYEKDL-XHSDSOJGSA-N 420.514 1.814 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749733734 AXGYHXQPJVDQRI-CYBMUJFWSA-N 409.478 1.514 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1750043064 QZVFSITVIVOJBC-HXUWFJFHSA-N 424.440 1.646 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)c1 1750380994 FIQXIHYHZWALAP-SFHVURJKSA-N 421.505 1.435 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1750383189 QDBJFPGXBNODIL-CYBMUJFWSA-N 410.400 1.979 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)COCCO1 1751306427 WWHOYCCHQRTYHC-APWZRJJASA-N 423.539 1.116 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1760135041 GQPFYWVWYQPIPX-UHFFFAOYSA-N 421.523 1.680 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184429 XEPJDIOQXJXGLM-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN(C)CC(F)(F)F)CC1 1760263944 VSUNFCNZEJGZRX-MRXNPFEDSA-N 414.476 1.769 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1760294193 QGULOFFEVZEMJS-JLTOFOAXSA-N 412.519 1.713 30 10 HDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1760494852 XTXQKIOTGSJCOX-UHFFFAOYSA-N 402.524 1.942 30 10 HDEE CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1760686871 ANFIRNIOYPEVPI-QZTJIDSGSA-N 417.558 1.467 30 10 HDEE C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1761393057 FBMRFXFURODIKL-AAEUAGOBSA-N 408.304 1.715 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(CO)c2)cs1 1762296774 NQYCAOFPLOXOPJ-SFHVURJKSA-N 410.503 1.903 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 1762611858 RREXPMVPVQVDKW-TZMCWYRMSA-N 404.425 1.388 30 10 HDEE CN(Cc1cnccn1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767143957 HYQPMBNHDMUVNN-ZPHPHTNESA-N 408.466 1.498 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1768982411 BDMDLFIGQFAJPD-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H](C)O1 1770940288 FSHARXUUGHRBSS-CRAIPNDOSA-N 412.494 1.535 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccccc2F)CC1 1850775939 KBJWNHSAOCEEAD-SFHVURJKSA-N 409.527 1.686 30 10 HDEE COc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1Cc1ccc(C)cc1 1851109226 PYZQWEPZVZWMCT-UHFFFAOYSA-N 418.461 1.268 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 1851278168 KLWZYJRACJUBDQ-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)n1 1851297252 WSRCOTNLORMBAB-ZDUSSCGKSA-N 412.400 1.328 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCOC(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852440643 FHCSBSKFUORBPE-UHFFFAOYSA-N 417.462 1.925 30 10 HDEE Cc1ccc(Cn2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)cc1 1852910626 KQUUBQORLXUXSI-UHFFFAOYSA-N 402.462 1.567 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc3nc[nH]c3n2)cc1 1853078273 YIZKKNZWYHIZGG-KRWDZBQOSA-N 407.430 1.766 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN2S(=O)(=O)c2ccc(Cl)cc2)CC1=O 1853223861 HWMWXZSVNJKHAX-LBPRGKRZSA-N 411.867 1.039 30 10 HDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853948508 PAYNXFRJPRGGFA-UHFFFAOYSA-N 413.455 1.305 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cnn3c2CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1854098258 GVKLNVSHORUKNG-RBUKOAKNSA-N 413.522 1.459 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2F)C(=O)C12CCCCC2 1854428499 ABVHQHQUOILLBY-UHFFFAOYSA-N 423.466 1.432 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)CN(CCN3CCOCC3=O)c3ccccc32)cc1 1854533615 WSMJDNXADGLFEW-UHFFFAOYSA-N 404.426 1.410 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)C[C@@H]3CCCO3)C2=O)CC1 1854809726 RWRILKWSOXBRED-OALUTQOASA-N 411.506 1.552 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CCN1Cc1ccc(C#N)cc1 1855592522 HCGWKWHFZICJCF-QAPCUYQASA-N 408.462 1.059 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C(=O)C1(C)C 1856115527 MJMCLMHLXUMOAK-CQSZACIVSA-N 419.503 1.245 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2nc3ncccc3cc2Br)C1=O 1856437696 LLATUIVWYABNPH-ZDUSSCGKSA-N 402.252 1.979 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)C[C@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708115 PMTRTILPINNXIU-TZMCWYRMSA-N 419.450 1.725 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)[C@H]4CCCOC4)C3=O)CC2)n1 1856974392 GNMBQXREHPVJKT-PKOBYXMFSA-N 412.490 1.598 30 10 HDEE CNC(=S)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C#N)c2)cc1 1858679056 BIIGISSKMIHWBI-UHFFFAOYSA-N 403.489 1.663 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861215232 ORKGVGQAMUGFTD-FUHWJXTLSA-N 404.486 1.090 30 10 HDEE Cc1nn(C)c(C)c1/C=N/n1c(SCC(=O)NC2CCCC2)nnc(C)c1=O 1873494582 AWZYVKKUAYCJST-DJKKODMXSA-N 403.512 1.330 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4ccccc43)CC2)CC1 1889507893 AAGBQDUDFSKXOL-UHFFFAOYSA-N 423.561 1.685 30 10 HDEE CN1CCN(c2ccc(N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)nn2)CC1 1889591415 WZFLLUSOBOKANJ-UHFFFAOYSA-N 406.494 1.454 30 10 HDEE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CC[C@H](C#N)C1 2118165951 GNJHUGUHTSWSEF-GHMZBOCLSA-N 400.423 1.464 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162918731 SSGRFVODHDOXIH-MZHQLVBMSA-N 414.509 1.594 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174772802 LSTNSORMOFSQSA-HZPDHXFCSA-N 400.545 1.635 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@@H](CCC(=O)O)C(F)(F)F)C(F)(F)F 2180577672 UDJNODHNBIEYMV-NVNXEXLPSA-N 406.201 1.898 30 10 HDEE CO[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195307120 ODNHTUWWRQZDQX-CHWSQXEVSA-N 404.529 1.926 30 10 HDEE N#C[C@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@H]1CCO2 2221962097 XZCXVXOHDXQBCU-KUHUBIRLSA-N 403.460 1.007 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2236960167 QKHCKBJPTDNANA-IUUKEHGRSA-N 402.513 1.680 30 10 HDEE CC(C)(C)OC(=O)NCCc1nnc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)o1 2243379795 PEUDDQJRRMUHAY-UHFFFAOYSA-N 406.248 1.710 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2244725837 ATCPWDPEODBBAD-MGPQQGTHSA-N 410.320 1.813 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(OCc3ccccc3)C2)n1 2247823523 NXQMJWLNQJVFNG-UHFFFAOYSA-N 412.299 1.592 30 10 HDEE CC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2247828741 PIQSMGLHENAAPP-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258171164 OLSPXFXAKYBWRK-CJNGLKHVSA-N 409.464 1.320 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258183432 SJUYEQIWBSXSQY-QGZVFWFLSA-N 408.476 1.129 30 10 HDEE C[C@H]1[C@@H](N)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355946 IZPAVDFTDLQJJR-ONGXEEELSA-N 406.766 1.811 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCSC(F)F)OC1(C)C 2267464570 IZHANIMMLWILFI-UHFFFAOYSA-N 414.330 1.818 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1nncs1 2267715590 ZOGCXUVAOJIBDA-VIFPVBQESA-N 401.344 1.938 30 10 HDEE CN1CCO[C@@H](CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281941691 XMQQNXWHRUMFKQ-NSHDSACASA-N 400.737 1.761 30 10 HDEE CCc1nc(C(=O)NC[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282025744 SUJMSTJNUVSBQA-SNVBAGLBSA-N 402.347 1.168 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ncc(Cl)s1 2282331993 USEVSFWNIZRHER-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(OCC(F)F)C2)OC1(C)C 2282496350 ZHZHGIFYHAMOMW-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CC1(C)NCCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497693 UATWYHDVXQUQQF-CQSZACIVSA-N 400.375 1.856 30 10 HDEE CC1(C)CNCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507418 HIGVZYMVIWKPTH-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](CCN)C1 2282833486 XUBQABBNSQDNKR-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CO 2282839531 FMPZUCGMFXZWJI-LLVKDONJSA-N 404.363 1.269 30 10 HDEE CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282858662 AGGYSFNHPTUPDX-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](CCO)C2)OC1(C)C 2282860009 UIFGAZZHJOPMLT-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE C[C@H]1CNC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866711 NVSVGGZEVMVTGX-GXTWGEPZSA-N 400.375 1.322 30 10 HDEE CN(CC1CNC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282875958 WJIXBFNPGOSKCG-UHFFFAOYSA-N 400.737 1.479 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400524 AWRQQQGZRACYKY-MFKMUULPSA-N 403.331 1.825 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NCc1c(Br)c(Br)nn1C 2316988908 GUMZWTZTUHLXII-LURJTMIESA-N 400.096 1.524 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@]2(NCCC#CBr)C(=O)O 2324524075 HSXNLIKZYAKDQB-KRWDZBQOSA-N 417.300 1.945 30 10 HDEE CCS(=O)(=O)[C@@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362574493 UGZZKIDYAOUODW-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2365200204 WLUJZBXWQJXVJF-KXBFYZLASA-N 404.573 1.799 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 2365210139 JLDIIDZOSRVHPM-BZUAXINKSA-N 402.557 1.552 30 10 HDEE C[C@H](C#CC(=O)O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2366845974 JOMVVTZSLWTSJQ-SECBINFHSA-N 419.717 1.456 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367792015 LADVCTVRABHFGN-CRAIPNDOSA-N 401.525 1.782 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@H](CC)NC(=O)OC(C)(C)C 2367824852 NMYJZBWJKAVDOH-HDMKZQKVSA-N 402.557 1.599 30 10 HDEE Cn1nccc1C#C[C@H](OCCCN)c1ncc(I)s1 2367854938 CLTHSOXRLOSKKY-NSHDSACASA-N 402.261 1.939 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)CO2 2368927286 BYIULKJMIAWYHH-YYHKSVKZSA-N 401.525 1.494 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369488127 ASNHDCBBARXGFX-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE C/C(Cl)=C/Cn1c(N/N=C\c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=O)n2C 33908438 DUFRYENGOKGEGX-YTNNEPQYSA-N 417.813 1.920 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 57480651 UWGHMLLQVHIUQA-UHFFFAOYSA-N 409.405 1.453 30 10 HDEE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)NC3CC3)n[nH]2)c([N+](=O)[O-])cc1O 59820604 GFVZYBWGEOUADU-RAKXPMKDSA-N 421.439 1.632 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 404909934 BLNTXJDSDNUQHB-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C)C(=O)OC 435951808 XURHOGAHUZNKKO-MOPGFXCFSA-N 402.491 1.846 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 441265576 TUWMGYBWLOZSKL-GOSISDBHSA-N 422.476 1.703 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COc2ccccc2O1 474589572 MMBSLOQHPVPQTP-DZGCQCFKSA-N 401.444 1.181 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 476805101 NUFMKIXASZKVCT-SFHVURJKSA-N 414.462 1.204 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C)n1 479640098 PVEAJLMMIFXRAW-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C4CC4)C3)CC2)cc1 485482601 TYHQNXZLQHUTGQ-LJQANCHMSA-N 403.504 1.596 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC(N)=O)cc2)cc1 503680307 NDVXKZXGMHZBTF-KRWDZBQOSA-N 410.455 1.576 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCCO1 512720307 KFSDDFWWFFHMTO-HOCLYGCPSA-N 414.531 1.423 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc3c(cc2OCC)C[C@H](C)O3)CC1 522287722 CUCPAXQTSMGHNS-INIZCTEOSA-N 416.522 1.538 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(CC#N)ccn1 532184229 YYOMTXLKGFIELA-UHFFFAOYSA-N 400.460 1.729 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 535889997 VRXCLIKEXGOROL-NZPGVSJUSA-N 407.492 1.020 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 540469339 QGEFVVZQVAWODT-HHXXYDBFSA-N 401.486 1.120 30 10 HDEE CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CSC[C@@H]1C(=O)NCC(=O)NCC#N 553428394 CYQSATZVTBJWJW-CQSZACIVSA-N 424.910 1.155 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ncccc2OCCCC#N)CC1 581160368 AYYUQJYAHGCTDG-UHFFFAOYSA-N 410.500 1.110 30 10 HDEE COc1ccc([C@@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 585692380 JORJIDQAAQQDFQ-LLVKDONJSA-N 402.430 1.280 30 10 HDEE C[C@H](c1nccs1)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586864411 UPKHPELFXBBHMY-CYBMUJFWSA-N 401.467 1.675 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1 604906176 VDKFXJZINRSBPI-QGZVFWFLSA-N 406.508 1.656 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C#N)cc1F 611076624 VSFJOMYTJTUCRZ-FQEVSTJZSA-N 411.481 1.786 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c1 616018028 JKGWDEGUHWNNRX-OAHLLOKOSA-N 420.516 1.851 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C(=O)NCC(N)=O)cc1 673736736 CBKQKHGGCDTWCI-UHFFFAOYSA-N 419.441 1.905 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1 727416238 KAXLQGPSXJHYFZ-UHFFFAOYSA-N 411.458 1.906 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 727951018 ORCXFIJWFYKPPF-ZDUSSCGKSA-N 419.381 1.668 30 10 HDEE C#CCN(Cc1nnnn1-c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 731213050 SOJBHHRSBSPZHR-LBPRGKRZSA-N 410.297 1.047 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1ccc(Br)s1 732440632 DODWUGQTXDBLCZ-BUHFOSPRSA-N 413.297 1.879 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(CC(C)C)c2=O)cn1 735069506 VAAVSXBTBRYLFP-UHFFFAOYSA-N 401.536 1.200 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)OCc1cc(Cl)ccc1OCC#N 735336632 IQHZLTJQWUEEEX-UHFFFAOYSA-N 413.839 1.869 30 10 HDEE Cc1cc(C)c(CCNC(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(C)c1 741339335 FBVLNAFIFRSRNL-DQRAZIAOSA-N 413.474 1.730 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 746468600 DYEKFWXSVJTDPD-OWBHPGMISA-N 411.308 1.187 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758641757 MJZNNWPAKDBMBV-ZBFHGGJFSA-N 423.491 1.439 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)c3ccccc3C2=O)CCCCC1 760401627 XSXCPTAKCLEWPH-UHFFFAOYSA-N 403.460 1.593 30 10 HDEE C=CC[C@]1(C(=O)NCCNS(=O)(=O)NC(C)C)CCCN1C(=O)OC(C)(C)C 760622340 BEJHGCKYKQBXOC-GOSISDBHSA-N 418.560 1.281 30 10 HDEE CO[C@H](C)CS(=O)(=O)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 764217516 NXWASCCQXQMLOS-GFCCVEGCSA-N 422.463 1.504 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnc(Cl)c(Br)c2)CC1 767913528 JEVQHNKFGONHHH-UHFFFAOYSA-N 416.707 1.949 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 771793687 IAPVUVXJVXIILY-SFHVURJKSA-N 416.503 1.162 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2nncn2C2CC2)C1)c1cc[nH]n1 772230598 MDIYHFPHDXHROP-ZDUSSCGKSA-N 415.454 1.026 30 10 HDEE C#CCN(C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)[C@H]1CCS(=O)(=O)C1 774047651 VTBNCWMGUUQGDZ-AWEZNQCLSA-N 402.469 1.025 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)c2ccccc2C)c1 776675564 SHGRRIQNTGHILJ-GOSISDBHSA-N 400.456 1.852 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C2CC2)C1 777198820 NGCOIZXNWVTAKW-DLBZAZTESA-N 405.520 1.921 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 780277032 HIAHGTCXBJYJMA-UHFFFAOYSA-N 422.507 1.195 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)c1c(N)cccc1I 780278788 QHSPBUOGSJGXQZ-UHFFFAOYSA-N 401.204 1.792 30 10 HDEE C#CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 787343093 YVTVTWNQYIXBSF-CYBMUJFWSA-N 419.381 1.946 30 10 HDEE CCOC1CC(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 794858235 ANPNCXWPZKRDFY-UHFFFAOYSA-N 412.468 1.829 30 10 HDEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 796488950 GOZPERINXFRABB-GDBMZVCRSA-N 402.499 1.659 30 10 HDEE CC(C)[C@]1(C2CC2)NC(=O)N(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 799132280 MJQBAHVWSIKVAO-OAQYLSRUSA-N 412.494 1.860 30 10 HDEE Cc1cn(-c2ccc(Cl)cc2)nc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 799253156 POEOSYITIBAMEZ-QGZVFWFLSA-N 412.881 1.971 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 803701210 OYLNBKLXZALGFA-UHFFFAOYSA-N 410.879 1.735 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)c(=O)n(C)c1=O 810821414 JOPCVNTYJRFARE-FPYGCLRLSA-N 403.398 1.795 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 849209260 NCICKXALFRJTGG-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE CCCCc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916914911 YLCKOARKLANSSA-MRXNPFEDSA-N 406.446 1.820 30 10 HDEE Cc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c1 1084187670 ZGTMSROXULLTTL-UHFFFAOYSA-N 413.463 1.888 30 10 HDEE COC(=O)CN1C(=O)C(=Nn2c(S)nnc2Cc2ccccc2)c2ccccc21 1084627591 UEKURGUEBJMJNX-UHFFFAOYSA-N 407.455 1.930 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1116062547 BDLMGYSELUUCOI-XDOYNYLZSA-N 410.474 1.632 30 10 HDEE C=CCC1(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCOCC1 1124611362 GZWMGVWYCLJXCO-UHFFFAOYSA-N 402.520 1.773 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 1127474817 ZOLYPPWIGKRNSW-ZDUSSCGKSA-N 415.837 1.747 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC2)c1 1128704169 WUEMNBDYXMKJHT-FQEVSTJZSA-N 420.535 1.250 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)C[C@@H]12 1131124163 ITYTVFCFYZHISI-XHSDSOJGSA-N 409.533 1.241 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2cccc(C(=O)NC)c2)ccc1F 1134044766 CYTRRUNHQUHXEC-UHFFFAOYSA-N 405.451 1.926 30 10 HDEE CC(C)N(CCOCCO)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1140368014 FLKHFKHREHBVLW-QGZVFWFLSA-N 402.451 1.009 30 10 HDEE C[C@H](CC(=O)N[C@](C)(CO)c1ccc(O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1143498565 GZBFXNOVSLZJHT-ZUOKHONESA-N 417.487 1.233 30 10 HDEE N#C[C@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccc(Cl)cc1 1144004200 URAHVLLLSNLNHX-SOUVJXGZSA-N 411.853 1.991 30 10 HDEE C=CC1(CC(=O)N2CCN(CCn3cncn3)CC2)CN(C(=O)OC(C)(C)C)C1 1147849547 GRVGFYDKFGUACA-UHFFFAOYSA-N 404.515 1.236 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1149909163 SBTUOERNFRPBTL-ROUUACIJSA-N 409.527 1.243 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)c1cc(F)cc(F)c1 1156763545 ZGMCAVDDQJFNFJ-LLVKDONJSA-N 407.398 1.502 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 1158229639 DLNIMEGVBRNUCQ-MAUKXSAKSA-N 404.492 1.535 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)Cn1nnc(-c2ccccc2)c1C#N 1166912718 JMWZXOOQRPVAOJ-UHFFFAOYSA-N 404.430 1.889 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC2(CC1)CC(=O)C=CO2 1176609960 IXSSOVJXMHESOG-OAHLLOKOSA-N 421.519 1.602 30 10 HDEE C#CC[C@]1(C(=O)N2CC(OC)(c3cnnn3C)C2)CCCN1C(=O)OC(C)(C)C 1176846902 ZQQZYDLZQWFPFX-LJQANCHMSA-N 403.483 1.292 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1180971947 UZAKKDPJYSFPAO-TXEJJXNPSA-N 411.455 1.908 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N=[S@@](C)(=O)N(C)C)nnc12 1188021868 MMUYGMYMEVAGIY-MUUNZHRXSA-N 420.520 1.423 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1192680023 HLHSRBGRVMTEKX-UKRRQHHQSA-N 424.489 1.978 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1192941252 LCJQLQVFDDLYJG-UHFFFAOYSA-N 418.309 1.825 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)CC1 1195778072 OOIMBFJMSQOBFK-MOPGFXCFSA-N 406.571 1.779 30 10 HDEE Cc1cc(N2CCCC2)ccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198072655 YQKABVQBQIZVNW-JXFKEZNVSA-N 402.520 1.404 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1212392732 PJWLXYLXNDLJAK-CEXWTWQISA-N 408.520 1.775 30 10 HDEE CCCN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1231196580 RPKKCKOXPFWRDQ-KSSFIOAISA-N 414.528 1.213 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1234449985 GVVFSMXFEQHHKQ-RCCFBDPRSA-N 403.483 1.360 30 10 HDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 1251526982 SSMKEUUWMDXQSL-UHFFFAOYSA-N 412.483 1.409 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1286394713 JZMQMZHIPGRUFB-SFHVURJKSA-N 418.567 1.957 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286475699 GSOICNDMDUEAIU-VGSWGCGISA-N 411.506 1.249 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1286692090 AFEYZDBLHJKAEG-SJORKVTESA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C)c1 1286788337 UXEJYGDVQASDLD-QGZVFWFLSA-N 417.535 1.427 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)nn2C)C1 1286798045 GUELGYJBMYZNPT-QGZVFWFLSA-N 422.493 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccoc1C 1286814151 LPVPBANYPDAIHX-UHFFFAOYSA-N 421.523 1.653 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1286819290 GEFFFSXOGKRQTA-OAHLLOKOSA-N 419.507 1.172 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCOC2)C1 1286835381 WRGRNUIIQKNKGG-LJQANCHMSA-N 407.540 1.315 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1286954831 QFYXTSIJXSBVIU-GOSISDBHSA-N 419.486 1.238 30 10 HDEE CC(C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1287099418 ARSJPJZTCVERPC-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCCNS(C)(=O)=O)C1 1288977659 QTNXQBFGPCVXHX-YJBOKZPZSA-N 410.544 1.241 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1295880891 IEFBATOXPVSQBF-UHFFFAOYSA-N 400.464 1.724 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1300301623 SUGHFUVRWGIELA-GJZGRUSLSA-N 414.549 1.178 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1300310742 ZCQJGGSHTBYLPU-YOEHRIQHSA-N 421.498 1.256 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1300432369 VGAJXYLJZVMEQT-ZFWWWQNUSA-N 414.441 1.615 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC1CC1 1300440277 RTGWBLNMLGYXHP-UHFFFAOYSA-N 413.478 1.567 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1300479108 IJZFCFSQCZWWJD-MRXNPFEDSA-N 404.540 1.467 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1300602331 QEEHQXIIWPXFQX-CQSZACIVSA-N 419.507 1.167 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N(C)C)c1 1300675036 JEBVXWHMZJPZQU-UHFFFAOYSA-N 410.522 1.601 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)c1 1300777480 XWSJICCYORGGCA-MRXNPFEDSA-N 410.492 1.334 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1301040954 IMYBYXONRBEYKM-PBHICJAKSA-N 400.932 1.940 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCc2sccc2C1 1301475000 JVYFGXFVANKICM-UHFFFAOYSA-N 414.535 1.831 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1301499781 FZUUGPDOXNOKGE-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCCONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1301632961 KFPFRBJHISTODA-UHFFFAOYSA-N 410.492 1.888 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(C)(C)O 1302095822 XKCYFEXJZHEOCX-DOTOQJQBSA-N 406.531 1.340 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(CC3CC3)[C@H](C(N)=O)C3CC3)ccc2c1=O 1302635551 LTCWLSQZHACYGJ-KRWDZBQOSA-N 412.515 1.987 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1occc1COc1cccc(C#N)c1 1303173296 FLLBPRDGQPRNJQ-UHFFFAOYSA-N 404.386 1.733 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@@H]1C[C@H]1C 1303844257 PTEDDJZBOJIUFW-JRPNMDOOSA-N 417.495 1.004 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1OCCC1(C)C 1303849492 MPHQLCNDDBEKAQ-YZVOILCLSA-N 424.571 1.833 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1305153954 HOTYZNICHWSPNU-MRXNPFEDSA-N 410.478 1.291 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1305244754 KACJOGHVHWXTDU-AXHNFQJDSA-N 414.422 1.122 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1307781283 GCKHJLXBSRZCDL-IBGZPJMESA-N 409.508 1.046 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C(C)C)C3(CO)CC=CC3)CC2)o1 1307867569 HUIUXTVWWKVWHV-IBGZPJMESA-N 401.511 1.446 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OC)c2)CCOC1 1314138822 FFKHQIQBXLUSNH-GHTZIAJQSA-N 413.478 1.716 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC(=O)NCc2ccco2)CCO1 1316540560 WSQCQNUEUVXCTF-OAHLLOKOSA-N 410.409 1.722 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)C1 1321285458 FIBYKKVMMQOIIJ-OALUTQOASA-N 422.493 1.881 30 10 HDEE C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1322856132 CSTOXJKONMEXGR-DNTCVELPSA-N 412.494 1.433 30 10 HDEE O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCCN/C(O)=C1\N=CC=CC1=O 1340427299 FTOQXEGCBTYTFO-ISLYRVAYSA-N 415.837 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)[C@@H](C#N)C1 1355540919 TWNYDTLZHHYPFA-VGVVRCBHSA-N 409.464 1.668 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1358893225 QHERHKCHQJQYGK-IWKHNONTSA-N 422.464 1.992 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCOCCS(C)(=O)=O 1358944184 KAXOUQKLEQPCSX-UHFFFAOYSA-N 413.503 1.624 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1358945422 GJMSBNLGEKNJTE-INIZCTEOSA-N 405.462 1.494 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1358962732 VKZYVSDEUWHNES-INIZCTEOSA-N 403.508 1.825 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359121543 VIXIEZFIGBCYOG-IBGZPJMESA-N 405.506 1.999 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359133060 KUEPMUHUVOAFMG-MRXNPFEDSA-N 417.489 1.630 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359298582 FFMQDNHLMUNIMN-QGZVFWFLSA-N 422.493 1.053 30 10 HDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)c(=O)n1C 1361272376 GGPHVBLFNDKTLA-UHFFFAOYSA-N 422.514 1.441 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1=O 1438057138 LVTOKSFMPSQDAE-NRFANRHFSA-N 415.446 1.337 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c1 1441767174 QPYUXMMYNKRCIM-JTSKRJEESA-N 415.490 1.825 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1443744691 OJDIIZLISBNQAB-NVXWUHKLSA-N 414.506 1.787 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)n[nH]2)c1C 1449588886 JPIICNUITYVOMV-DLBZAZTESA-N 403.508 1.868 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1449951571 WFOSVPUOGFLVRQ-IXDOHACOSA-N 424.457 1.124 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)OC 1451177532 FAKGCFXMTQMFLX-GOSISDBHSA-N 412.467 1.733 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1 1454153120 PBWLCFVHUYNSMT-NDEPHWFRSA-N 401.448 1.934 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)C1=O 1461247642 WBANGIOTMBHQFQ-UHFFFAOYSA-N 411.393 1.415 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1462357734 RNRJGNYRZYPQKG-SFHVURJKSA-N 411.483 1.317 30 10 HDEE COc1ncc(NC(=O)c2cn([C@H]3CCS(=O)(=O)C3)nc2C(C)C)cc1C#N 1462894558 CTRWNAAMMHHFAK-AWEZNQCLSA-N 403.464 1.894 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 1464495018 PBVUNDWHUFXFKP-HNNXBMFYSA-N 409.483 1.450 30 10 HDEE COC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 1470033077 OMJOCHMPGHHCSO-QRVBRYPASA-N 400.479 1.400 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 1471823825 YTMPWPQGRYMDKA-UHFFFAOYSA-N 415.309 1.653 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OC 1475685920 LDCYHBAISFQYQI-ZDUSSCGKSA-N 408.473 1.373 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ccnn1C 1490822956 HDLYECTYPDNXJY-RFSOPEBBSA-N 402.495 1.166 30 10 HDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1503285347 QPGWUXPJLBLOCF-QAPCUYQASA-N 410.544 1.241 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1503364900 LEGIEEOQRMLOLR-ROUUACIJSA-N 421.505 1.400 30 10 HDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1507571426 ALUHZVFDSGDFIH-KZNAEPCWSA-N 417.554 1.951 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632202 JSUPNZFZNJPOLL-BRSBDYLESA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1CC 1507636480 GQVQVTGMHJAGJV-UHFFFAOYSA-N 416.489 1.880 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1507644625 LXGVSWVLWXJBED-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC(C)C)nc1 1507657111 NSGBXPSCINBTGI-UHFFFAOYSA-N 406.490 1.704 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nccn2C(F)F)CC1 1507731490 JWNTWQFXHMXSBO-OAHLLOKOSA-N 405.453 1.915 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccncc2Cl)CC1 1507740936 HUNKQHDRNLTERN-UHFFFAOYSA-N 416.913 1.877 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC)C1 1507753615 HKDXOYDXDABAJK-IAGOWNOFSA-N 404.584 1.764 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1507754135 LMEJVOAJARNMEV-INIZCTEOSA-N 407.540 1.181 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508072746 GLEWEACVVVWDKP-GDBMZVCRSA-N 415.929 1.969 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508153551 NCVVRHRDLFEDKJ-MRXNPFEDSA-N 402.524 1.601 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCOC(C)C 1509684792 PHQJMTDICRCELV-SFHVURJKSA-N 417.558 1.798 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1519392458 HJKVMLQUMCIADE-UHFFFAOYSA-N 419.507 1.105 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nnc3ccccc3n2)c1 1526853359 IQBUOICJDTVGQW-UHFFFAOYSA-N 401.426 1.512 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 1534831375 NHSCGHVQJHOREN-KRWDZBQOSA-N 417.491 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538982929 LVKBSXXYYNXFTD-JKSUJKDBSA-N 417.535 1.693 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1539065001 AAWRLGRDEQYSEB-ABHNRTSZSA-N 400.527 1.916 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1539079325 SALQMDGGVYNNKE-HNNXBMFYSA-N 414.535 1.788 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1539148025 MNHCCAFUAGILIB-HTAPYJJXSA-N 413.522 1.953 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1nc(C)cc1C 1539284116 IKEPNUNXSREXMK-PMACEKPBSA-N 410.522 1.979 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@](C)=O)CC1 1539300214 SNISXAPJECUIJA-NGOKVRLYSA-N 404.536 1.304 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1539370298 UJKVCGGWJLIWBZ-JKSUJKDBSA-N 400.504 1.816 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(C)C)CC1 1539428490 RVPGEIVTVBVXEY-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC(F)(F)CO2)CC1 1539475412 FLOSZPVHSSYOJR-HNNXBMFYSA-N 418.448 1.663 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnc(C)s2)CC1 1539480940 HBOIBBJCZGYKFS-INIZCTEOSA-N 414.535 1.561 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC 1539556545 FCZVWNGLYYBESD-FXAWDEMLSA-N 407.584 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(N)=O)C1 1539615194 HBBGSYBHXOVDRI-BDXSIMOUSA-N 421.542 1.685 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1 1539632094 OYMGMSFHPDGYFJ-QRVBRYPASA-N 403.527 1.822 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)n1C)c1ccc(S(C)(=O)=O)cc1 1540042873 FSCRWNJYZZZAKH-LJQANCHMSA-N 403.460 1.509 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540870876 YZFQCMHIANVKQQ-INIZCTEOSA-N 418.542 1.215 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1541703627 UTTCELIMRCXPTL-GOSISDBHSA-N 412.494 1.869 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1541871201 ABZMRVYOKJXBQR-APWZRJJASA-N 407.522 1.860 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1555252191 WPNQYOGFYQNRJK-DYESRHJHSA-N 410.478 1.195 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC(F)F)CCO1 1555991915 AKQGZQQAHRZVCX-ZDUSSCGKSA-N 421.408 1.326 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C)C(=O)OC 1556375775 RZEJFMBVYFYZOX-CKFHNAJUSA-N 400.472 1.261 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)c1 1557002949 KGBGBADJTUYZPJ-GOSISDBHSA-N 401.444 1.628 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1557082709 WLBZEHDXNGMRLO-IAGOWNOFSA-N 402.344 1.821 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3cccc(F)c3C#N)CCO2)cc1 1561780950 CZFFUCDGLBRRMN-KRWDZBQOSA-N 424.475 1.863 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 1565814842 KKDMPHRBZXBSNA-UHFFFAOYSA-N 411.527 1.946 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 1566544172 QKUPKGWBPOXKMD-OLZOCXBDSA-N 405.417 1.963 30 10 HDEE C=CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1567605603 ACIKOOYRYBCVNL-SFHVURJKSA-N 401.463 1.146 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@@H](C)COC 1586112179 HIWKHUQJFBCDPZ-HNNXBMFYSA-N 412.508 1.379 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1587759308 RXIQCXWTSQHDIJ-MRXNPFEDSA-N 412.473 1.288 30 10 HDEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1587890669 OXTFDAHNOFXJJJ-PBHICJAKSA-N 407.492 1.629 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588053089 AYBLEKVPYVCWIR-PMPSAXMXSA-N 412.581 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCOC1=O 1588259254 XGEDMAUEFAGEMJ-ROUUACIJSA-N 415.494 1.307 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC(C)C 1588279758 AVFWCYHKRUIHEJ-UHFFFAOYSA-N 403.508 1.333 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1588387036 RIBIWYXYICVDGA-GOSISDBHSA-N 424.567 1.473 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589059915 KPMCQXGJCFUTHQ-KRWDZBQOSA-N 420.583 1.096 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)cn1 1595731540 MWINYNSVEJYORL-IBGZPJMESA-N 424.486 1.479 30 10 HDEE C#CCN1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1596610411 QNRDJIXVEQLCLL-UHFFFAOYSA-N 401.308 1.971 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607497039 AKNCTYMLBUIDNY-CHWSQXEVSA-N 417.466 1.097 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 1610951491 AUDOLAMCJZTPOI-GFCCVEGCSA-N 407.377 1.385 30 10 HDEE Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1612560658 XLPPIOWNXCJWDP-IRXDYDNUSA-N 406.556 1.921 30 10 HDEE CCOCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1617184733 JKQMERAFFOFMRL-HNNXBMFYSA-N 423.477 1.440 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)OC)c(C(=O)OC)c2)cc1 1622152290 RBRUCONWVMRNLQ-UHFFFAOYSA-N 417.439 1.750 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1623676016 XOQVLNDNMKCUAC-ROUUACIJSA-N 408.543 1.611 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1623969917 WSUGBXUAYPXQLU-ZDUSSCGKSA-N 405.314 1.561 30 10 HDEE Cn1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(-c2ccc(C#N)cc2)n1 1624986606 MQIJVZDPSOIAEG-MRCUWXFGSA-N 404.430 1.491 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)C1=O 1626247074 SBLYHUNNIWJOOA-AWEZNQCLSA-N 408.524 1.956 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)Cc2ccc(F)cc2)s1 1626656239 UKIDVCXEZBXDNH-HNNXBMFYSA-N 412.508 1.614 30 10 HDEE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1627734941 JYAJXDYTHRUUPY-KBXCAEBGSA-N 401.442 1.900 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1628662473 MUVNIIWMGXIIRH-IBGZPJMESA-N 402.472 1.059 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 1629863352 CLCDVPVHDUEJEN-IAGOWNOFSA-N 412.556 1.349 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCC1 1630198770 WYIFVPJZEOGVSM-MRXNPFEDSA-N 407.492 1.526 30 10 HDEE CC(C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@]1(O)CCOC1 1630826416 HUAMXWDWTLHRLU-HRAATJIYSA-N 414.462 1.057 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](N3CCOC3=O)C2)C1 1632227969 JFXZTRIKKWHSDQ-OAHLLOKOSA-N 419.279 1.810 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1632333812 VAPOEULBRGOEON-UHFFFAOYSA-N 412.830 1.554 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ncc4c(n3)CCOC4)C2=O)cc1 1634918698 MDLBIJFHQIDARH-SFHVURJKSA-N 406.446 1.021 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ccn1 1635744573 GCCVKIMIVDISFV-QGZVFWFLSA-N 400.460 1.341 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2cccs2)CC1 1636475559 NIONFFBJAWXAKD-UHFFFAOYSA-N 417.512 1.205 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](S(N)(=O)=O)C1)c1ccc(Br)cc1 1636562981 QYCAODQDEJQSEZ-KBPBESRZSA-N 400.298 1.586 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)c1ccccc1C#N 1637855490 FZPJDFBMIMNLRX-CQSZACIVSA-N 414.430 1.617 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCc3c(C#N)cccc32)C1 1638475898 ZXEPXDZSQXJPON-HNNXBMFYSA-N 419.503 1.872 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1638851344 WFNJXLLFURUIOB-UHFFFAOYSA-N 422.470 1.721 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1641574560 OVJHNYAQFHHKGH-MSOLQXFVSA-N 410.474 1.660 30 10 HDEE C[C@]1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCC(=O)N1 1642237184 JXJYZPIQVBUZRO-LJQANCHMSA-N 406.508 1.070 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(SCC(N)=O)s2)c1 1643465214 YJXOOFRZNPKEJC-UHFFFAOYSA-N 407.502 1.537 30 10 HDEE C=C(C)C[C@H](NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OC 1648793655 FTDZHZVUKXIFSB-GOEBONIOSA-N 413.515 1.666 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccccc2)c2ccccc2)CC1 1650846456 XYLWXNODCXIFCY-HXUWFJFHSA-N 413.499 1.419 30 10 HDEE C=CCN(Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1659057622 PQKFTAKIQIYCFM-OAHLLOKOSA-N 414.487 1.381 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H](C)N1CCOCC1 1660119578 CLRKQEJIEUDIOG-WDEREUQCSA-N 420.304 1.847 30 10 HDEE COC(=O)CNC(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1660442527 UKJGVODGMJZBEH-HTQZYQBOSA-N 412.277 1.769 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1 1663669938 DWMAHBJPCUHGBA-UHFFFAOYSA-N 415.581 1.698 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)cn1 1664349412 TXYPWMHBKZGQSP-UHFFFAOYSA-N 413.253 1.974 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(I)s2)nn1 1664570951 PGWGWDUXYLGCMZ-UHFFFAOYSA-N 410.262 1.609 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(n3cc(N(C)C)cn3)CC2)c1 1670272406 KAEYRTKDORWZCK-UHFFFAOYSA-N 417.535 1.891 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)C2)nc1 1675264978 UGADENHYJGMKTI-IBGZPJMESA-N 420.473 1.841 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)[C@@H]1CCCO1 1680314098 IKPWGFJDKULGMZ-JYJNAYRXSA-N 415.494 1.754 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(=O)NCC2CC2)c1 1689870203 FTAUYWKVOBKKPT-UHFFFAOYSA-N 406.490 1.738 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689986249 LSIVUHBDYRXJFX-OAHLLOKOSA-N 412.475 1.312 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1689988002 HILGVHWPOXPZLE-PVAVHDDUSA-N 420.514 1.444 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689991119 WDKHXEKDQOSTPR-OALUTQOASA-N 414.531 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1690045811 QOTSWRDHTUXVPI-GOSISDBHSA-N 419.485 1.902 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1690072769 SJZZDMYBFCEXGH-HNNXBMFYSA-N 408.462 1.067 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1690078781 HAYKNJKQEAPRRF-UHFFFAOYSA-N 409.943 1.921 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1690082827 PORMXPPPHIBPPZ-UHFFFAOYSA-N 404.540 1.567 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1sc(C)nc1C 1690106264 PCVFGATWSWSMHX-UHFFFAOYSA-N 416.551 1.803 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCO[C@H]1C 1690106511 YXFNHCCKZPMDAP-PGRDOPGGSA-N 414.506 1.791 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCn2cncn2)CC1 1690132021 DLGYEWXZPXTFLX-UHFFFAOYSA-N 420.521 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CCCC)CC1 1690146399 MWALEBMEJOFQOP-LJQANCHMSA-N 416.570 1.480 30 10 HDEE C#CCSCCn1c(N2CCc3oncc3C2)nnc1[C@@]1(OCC)CCOC1 1690186883 WVHDCXCYSCWLBZ-LJQANCHMSA-N 403.508 1.847 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690642602 XPDHNPMGYZCPAL-SFHVURJKSA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690667251 WUTDBLSFLZTUMB-KGLIPLIRSA-N 423.514 1.644 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690677983 GXJUNIMCTZROHF-LSDHHAIUSA-N 420.514 1.535 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC=C)C1 1690700690 WCBMFUNPNNCDKJ-IRXDYDNUSA-N 410.540 1.902 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1Cc1ccc(C#N)o1 1692811547 GGMQJCIVEYQLPU-PNESKVBLSA-N 410.475 1.586 30 10 HDEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCOC1(C)C 1693867475 WJEMTVMZIJBZQT-OAHLLOKOSA-N 407.482 1.897 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1705476854 GFUQNEAPKTWAKA-HOTGVXAUSA-N 424.571 1.139 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1705542095 YFTCSVZUMMDFAV-JKSUJKDBSA-N 416.551 1.409 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705567659 XZPZOEKOGOLTFB-QAPCUYQASA-N 410.565 1.040 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1705596208 WZMGYVWXWXHFOA-VFNWGFHPSA-N 411.462 1.009 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CCC(C)C 1705599199 WHVRROSEZLYEPL-NQIIRXRSSA-N 420.579 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2CC)CC1 1705649380 VUEQTDFKJRRZPU-GOSISDBHSA-N 409.538 1.723 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705657371 CMUFJPOEMDWPKP-INIZCTEOSA-N 411.535 1.747 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705694864 UAVAVZZJCSBGSU-VWKPWSFCSA-N 416.526 1.197 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1705830239 LMTDCVZXGJPYIZ-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C 1705934369 KDDUPCHTJPXCLI-KRWDZBQOSA-N 417.535 1.775 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1712168348 BSRASQBUACFORV-QGZVFWFLSA-N 400.458 1.893 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC1 1712647778 KAWLOXZWFAQCAX-BZSNNMDCSA-N 404.515 1.217 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCOCCCO)cc1 1712879737 LCPANUZFUZOYDH-UHFFFAOYSA-N 420.464 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1722274153 CZTAZSPAJNFRTO-GOSISDBHSA-N 424.549 1.961 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cn(C2COC2)nn1 1722277849 BFYHBFUNWSKDES-ZDUSSCGKSA-N 408.422 1.522 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1722353118 RVVQBVFSCHREIB-OXJNMPFZSA-N 402.520 1.547 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722361643 INJJFNSMFMOVAI-CRYYWNKWSA-N 420.560 1.340 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCN(C)C1 1722380364 KOXUPMUAPQSBNA-HSZRJFAPSA-N 416.485 1.740 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(N(C)C)CCOCC1 1722381908 IMVCCPJLDYFIIB-UHFFFAOYSA-N 412.563 1.817 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC(C)CC2)CC1 1722429808 SJWZAZTUUJUJJC-LJQANCHMSA-N 415.586 1.292 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722458836 UYPYGZNATXFFDA-OAHLLOKOSA-N 402.568 1.311 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC[C@H]1C 1722529773 BXFCAHQWFIATBF-MRXNPFEDSA-N 410.482 1.739 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1722631825 XZJBQPFWWYMOSC-ZDUSSCGKSA-N 403.574 1.423 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C(C)(C)C1 1722698586 IEJPQIPIZUOQHH-HUUCEWRRSA-N 409.556 1.355 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1nncn1C 1723329386 CPWAEZASYBRSKJ-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)COC2 1723910256 DGYRECBLRXAUJE-KGLIPLIRSA-N 418.523 1.705 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCC(C)(C)O)cs1 1725406999 GUZDXSCVSIHURQ-QGZVFWFLSA-N 415.567 1.971 30 10 HDEE CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)OC 1727147043 ASDLQPAWHKRZPU-LSDHHAIUSA-N 411.528 1.114 30 10 HDEE CCc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cs1 1727459126 AVXCBPAVPZWQKA-ACJLOTCBSA-N 403.487 1.933 30 10 HDEE CCCCN(CC)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728050933 NNSIEJXHNUAUBE-KIJUOZEOSA-N 402.499 1.935 30 10 HDEE Cn1nnc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C#N)CC2)n1 1729605751 ABUMGEBDKHTKPK-UHFFFAOYSA-N 420.525 1.637 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1730973552 VDWKDMCIZMYAJY-HNNXBMFYSA-N 405.480 1.551 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@@H]1F 1731143242 LKLACOXHPLFXPU-QAPCUYQASA-N 403.458 1.922 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1740621296 LEWUSSZEQHJETP-HNNXBMFYSA-N 403.508 1.205 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740625571 GSTUTHQCGIDSMY-BRSBDYLESA-N 424.542 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@H]1C 1740636765 BZOMLCPBJMXQDL-MBSDFSHPSA-N 416.485 1.744 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(F)(F)CO1 1740647673 XOPXHEUDADNLDA-VQIMIIECSA-N 408.449 1.817 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740673397 SODWAAIMIOBRLP-INIZCTEOSA-N 407.565 1.671 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)NC(C)(C)C)CC1 1740706421 XKRBAEZSVOOMPV-UHFFFAOYSA-N 416.570 1.747 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740716096 LOKCENMFAMDGDQ-IRXDYDNUSA-N 403.552 1.849 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1740716668 WJZRYZPVRVYZIX-OAHLLOKOSA-N 415.523 1.671 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@H](O)C1 1740724895 JPNWOGKPSFBOHJ-WFXMFSGNSA-N 409.556 1.432 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\CC)CC1 1740838860 ADYPMQKYUVUISP-JTGQJZMRSA-N 409.556 1.980 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740946928 KKMLGOCWERYBNR-FQEVSTJZSA-N 424.549 1.797 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740948508 JVBJGWRHPOYBFT-INIZCTEOSA-N 401.515 1.169 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C)[C@H]1C 1740966012 OEGFOFVELYMBKB-AESZEHBQSA-N 409.556 1.635 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1741296898 QVSJCWBOFOGFGC-CQSZACIVSA-N 418.448 1.648 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743629571 SYIYLPJMHXWUBU-RPGQHCKLSA-N 415.498 1.020 30 10 HDEE CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1=O 1745728402 PDNHOIMVKKZKBJ-INIZCTEOSA-N 411.466 1.191 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCC1 1747187369 AHJIDOLWMPXHAP-UHFFFAOYSA-N 424.553 1.892 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2ccnn2)CC1 1747540426 COIJTWVAFGGOKN-UHFFFAOYSA-N 419.493 1.413 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCN(C)C1 1748834400 MKCUFNCRBDUPPI-NRFANRHFSA-N 413.909 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748890728 VEUHSMYOKBLUFF-QGZVFWFLSA-N 403.552 1.680 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1748908176 VIMHLWBQNKFEKN-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)[C@H](C)CC)CC1 1749014740 MUTXWDYRVGVVGW-IEBWSBKVSA-N 416.570 1.478 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1749328395 OTXXZXIZYQPEMD-RXVVDRJESA-N 413.478 1.474 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1)C1CC1 1749520058 YAYQFPYXMQCGSZ-AWEZNQCLSA-N 407.540 1.381 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)C1CC1 1749666434 LYIMARJDIVOBIZ-UHFFFAOYSA-N 421.505 1.966 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(F)(F)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749681801 JSFGUPHANZCSMF-SFHVURJKSA-N 413.469 1.856 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cnn(C)c1 1749682180 PDCPSPVKUQDLMU-ZDUSSCGKSA-N 403.397 1.501 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CCC2)C1 1749705003 FBHZYNNFYDSNRX-OHZJNBGDSA-N 402.524 1.818 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750103911 BUJKJFWGFKRTOV-IAGOWNOFSA-N 413.434 1.594 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)N(C)C 1760206263 VAYGDSUBAQBAFL-ROUUACIJSA-N 405.568 1.229 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1760237657 PTIHZEHHWJBVAO-CQSZACIVSA-N 421.548 1.164 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC[C@H]2CC)CC1 1760260566 XNJNIMDIHJVAEZ-RTBURBONSA-N 413.570 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCSCC#C)CC1 1760271704 HTCDUGJYGKZRPX-UHFFFAOYSA-N 422.558 1.596 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C(=O)NC 1760312706 CIKIFZCNTHMTRE-IKGGRYGDSA-N 418.542 1.314 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCNS(C)(=O)=O 1761357653 HKSFIKUSTHFRCC-CYBMUJFWSA-N 402.480 1.979 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H]1C[C@H](F)C1 1761483160 SXGUGKLMTYYDPK-BRXULGCHSA-N 402.471 1.468 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1766870933 HXXREYXGUSSBPF-SFHVURJKSA-N 423.521 1.063 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1769717736 FBQVQONUUJTIKW-SFHVURJKSA-N 409.494 1.894 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1770751274 DYCRIHJJWQIIEH-CABCVRRESA-N 414.432 1.222 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCOC2)CCO1 1771539245 ROQBEEKZDSNXKM-MOPGFXCFSA-N 412.494 1.436 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CCS(=O)(=O)C1 1848757114 OXUXGAIRFQOKEY-RTBURBONSA-N 423.531 1.473 30 10 HDEE CN(C(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1)C1CN(c2nccnc2C#N)C1 1849659911 KFJDNFWGSPXKGI-UHFFFAOYSA-N 412.400 1.046 30 10 HDEE Cc1[nH]nc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1Br 1851545690 FHJYCQOVUYRUKK-UHFFFAOYSA-N 419.283 1.726 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O 1853828437 MDJCTHABAPRPBT-HUUCEWRRSA-N 424.423 1.950 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCSc4ccc(F)cc43)C2=O)CC1=O 1854207957 RFFXSKZJNPXHLS-ZFWWWQNUSA-N 403.479 1.900 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854262664 MGNHKBZEAGHBOG-RTBURBONSA-N 404.474 1.690 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@H]1C 1854736494 YQURUQAWASWOES-CABCVRRESA-N 416.547 1.794 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O)n1cncn1 1854999866 WGGJTNUJRXHHQJ-MAUKXSAKSA-N 407.478 1.503 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1C[C@@H](CN(C)CCC#N)CC1=O 1855727958 RTCCVYGJZFVWCA-MRXNPFEDSA-N 408.458 1.680 30 10 HDEE CC(C)N([C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1856430276 DMQWUCQWFVCOGG-MSOLQXFVSA-N 403.504 1.126 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2=O)CC1 1856548293 LBIHMEMMMPMHSM-IBGZPJMESA-N 407.474 1.540 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)Cc3nc(C(C)C)no3)CCC2=O)CC1=O 1856652591 AODXGCWXNSCKMZ-HOTGVXAUSA-N 417.510 1.425 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)CC1=O 1856816170 MPEDXRVXIPHASF-PBHICJAKSA-N 423.922 1.790 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CC(C)(C)C(F)(F)F)C1=O 1857148651 DXOVMPNCPOCJDS-CQSZACIVSA-N 424.427 1.575 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccnc3O[C@@H]3CCOC3)C2)CC1 1857205492 JUJOVMGSJLREPS-ZWKOTPCHSA-N 412.490 1.864 30 10 HDEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCN(CC)CC2)cc1=O 1870563550 GJCZNJHHFSHTGY-UHFFFAOYSA-N 400.567 1.874 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccnc1 1874430872 BPMXBLYNGMSKST-SSDVNMTOSA-N 409.475 1.922 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccccc3C)ncnc21 1875230103 PCZXZHGFZRYRNT-UHFFFAOYSA-N 409.490 1.965 30 10 HDEE CN(C)CC#CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1890918336 ZZPDTWXVKRQHOE-UHFFFAOYSA-N 419.547 1.125 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccccc2)C1 1891371567 IQZXPHYZAYURHC-MRXNPFEDSA-N 414.487 1.972 30 10 HDEE CCOC(=O)c1cnn(CCOS(C)(=O)=O)c1NC(=O)OCc1ccccc1 2081114937 BMCQQUZKNIPMOM-UHFFFAOYSA-N 411.436 1.785 30 10 HDEE N#Cc1ccc(CNC(=O)CNC(=O)CCCn2cc(CC3CCOCC3)nn2)cc1 2087926244 IXRYUELQNDKRLF-UHFFFAOYSA-N 424.505 1.332 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 2118163555 RBBXKIHSXLWQCU-SFHVURJKSA-N 415.471 1.874 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)c2ccc(C#N)nc2)CC1 2174780698 XGSKSZGCWGFZKE-UHFFFAOYSA-N 414.509 1.797 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@@H]2[C@H](C1)CN(C(=O)OC(C)(C)C)[C@H]2CO 2211150928 HFOZLPZKLOWXIG-OAGGEKHMSA-N 423.510 1.201 30 10 HDEE CCS(=O)(=O)CNC(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237727726 OSBPNTMUPKQAOF-UHFFFAOYSA-N 402.347 1.547 30 10 HDEE C=C(CN(C)C(=O)CNC(=O)CNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243677140 RKELKIOLAACIHI-UHFFFAOYSA-N 411.308 1.273 30 10 HDEE Cn1ncc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247779711 YJPLMYCWQGWCFP-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2247829711 VDIFSLYUTSIFKM-JYAVWHMHSA-N 418.303 1.304 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2247844402 BGYFRYUFTCILPC-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](N)C3CC3)cc2Cl)OC1(C)C 2267355957 JLIKEIJIOSDOLF-LLVKDONJSA-N 406.766 1.716 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(C[C@H](C)C#N)C1CC1)NC(=O)OCc1ccccc1 2270518629 JJTHBCUHRXBVIO-RHSMWYFYSA-N 423.491 1.408 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281970619 FZZHRWCSRYAIOE-DZGCQCFKSA-N 405.304 1.333 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282022464 HIGOUEDMYFPPDJ-NSHDSACASA-N 402.347 1.057 30 10 HDEE C[C@@H]1CNCC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282497735 UMDXOARHOBRNRL-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCNC1 2282508850 BWJIDEXOUZTCEP-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CC[C@H](O)CN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845635 WTXRVKYORWZQBU-AWEZNQCLSA-N 403.375 1.970 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCC3CCNCC3)c2)OC1(C)C 2282863786 WNADXZMCKFCTOO-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE Cc1nc(CSCC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)cs1 2283989514 OIYPMHLMVQJVSU-UHFFFAOYSA-N 412.371 1.896 30 10 HDEE CC[C@@H](CCC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284403083 NFPVRZQBEQHVAC-NSHDSACASA-N 403.331 1.969 30 10 HDEE C/C=C/C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404693 YTFSEHRDGIBHTD-NNNHXZLVSA-N 401.315 1.745 30 10 HDEE COc1cc(CNS(=O)(=O)CCSC)ccc1B1OC(C)(C)C(C)(C)O1 2289564945 ADYQBLZVHBMXTI-UHFFFAOYSA-N 401.359 1.777 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2290360942 DUXHTVZEDSNGDA-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2300231411 WSTHGYHISXOPDE-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2339661813 IDXJIWVOARVNJF-UONOGXRCSA-N 408.501 1.917 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342045396 RGIRXDGZJMBALM-NLWGTHIKSA-N 420.531 1.711 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2342052905 WEEKTNPFXXOBKS-QWHCGFSZSA-N 400.522 1.520 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H](CC)NC(=O)OC(C)(C)C 2365207811 QKITXTHABPJBLI-ARFHVFGLSA-N 404.573 1.845 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2366099851 NAQPRIAYOUMPNT-SJBKTWHCSA-N 412.490 1.289 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367804504 UEEYURIJFSYCDQ-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@H](NC(=O)OC(C)(C)C)C(C)C 2367814469 BEEQKPWHTFMBTR-IIDMSEBBSA-N 402.557 1.455 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2367817401 SJGJMQACBBFDGG-KLHDSHLOSA-N 400.541 1.209 30 10 HDEE Cc1cc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)c(C)n1C 22694547 JAPUHYXOTUVBSH-UHFFFAOYSA-O 417.555 1.496 30 10 HDEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)C(C)C)CC1 36211640 YCYMCARPRQQLFX-LJQANCHMSA-N 415.490 1.711 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cncc(I)c2=O)c1 163379539 PZTLTKJUDYUNEI-UHFFFAOYSA-N 415.212 1.193 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 238826242 DVATXZFTEZZNES-ZOBUZTSGSA-N 413.478 1.182 30 10 HDEE N/C(CCn1cnc(I)c1I)=N\O 307289151 YCCNBAARGSDHLP-UHFFFAOYSA-N 405.965 1.229 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CCO1 409583844 WMEPRTZBXAIGAO-ZBFHGGJFSA-N 421.454 1.524 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1=O 410178605 NLHNUWLIJFESCQ-PKOBYXMFSA-N 401.482 1.852 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 435272291 XSMNEPDJQNPYNI-UIVXKWKOSA-N 421.519 1.410 30 10 HDEE COC(=O)CC1(NS(=O)(=O)c2ccc(C#N)cc2Cl)CCS(=O)(=O)CC1 439086335 BHITWVMEHZVQKM-UHFFFAOYSA-N 420.896 1.000 30 10 HDEE CN(C(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCN(c2cnccn2)CC1 447665876 FSKFWHOWDHTNFY-UHFFFAOYSA-N 402.462 1.857 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 465470040 GWPZOOPMUHXOGS-FQEVSTJZSA-N 407.474 1.491 30 10 HDEE COC[C@@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccc(F)cc1 472061375 DBHXJUCTKKDUFB-GOSISDBHSA-N 400.458 1.959 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C[C@@H]1CCCO1 481980284 KSHSCIOZWMQKKS-AWEZNQCLSA-N 413.524 1.750 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 491239145 JOCJDIHBVSYMAQ-QGZVFWFLSA-N 405.458 1.664 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2c(F)cccc2Cl)CC1 502652198 WSDZOINYZUYNAW-UHFFFAOYSA-N 401.829 1.824 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 503626963 IAOICFAYAZFYDE-UHFFFAOYSA-N 420.535 1.237 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H](C)C(=O)NC2(C#N)CCCCC2)CC1 507730095 CRZYBRFNHBRYDS-ZWKOTPCHSA-N 403.571 1.782 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508473141 NLHAXBSNRWMGCH-CYBMUJFWSA-N 414.491 1.651 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508907281 LUOCBYAICRJPSI-AWEZNQCLSA-N 416.530 1.957 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 509000910 ZKGWNTDROAKGDS-UHFFFAOYSA-N 418.448 1.843 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H]4C[C@@H](C(=O)OC)O[C@H]4CC[C@H]3C)cc2C1=O 512950372 ZURRSWSQQPUNTI-IEGACIPQSA-N 412.442 1.792 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 534751811 LCCIRXATPCBASG-AZUAARDMSA-N 412.515 1.972 30 10 HDEE C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 549752659 GXLCADNSJCLTJO-GOSISDBHSA-N 423.469 1.986 30 10 HDEE N#Cc1cc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)ccc1F 561549420 HHYNGRDQALMTHP-HUUCEWRRSA-N 415.446 1.895 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 575402000 ATIXPOLBQYOFPM-KRWDZBQOSA-N 413.457 1.378 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CCC1 583468160 JIARAXDRHBJKOL-UHFFFAOYSA-N 400.504 1.878 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@]4(CCCOC4)C3)CC2)cc1 585752756 UINOHDLPEFAWKZ-OAQYLSRUSA-N 417.531 1.988 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 603557687 VZKQMPIYOKGHOE-HNNXBMFYSA-N 423.498 1.739 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603800616 XEWLBZVTZAACGW-ZDUSSCGKSA-N 403.529 1.178 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](CC)N2CCc3ccccc3C2)CC1 604170952 HHYASGWQZUSTPM-OAQYLSRUSA-N 413.566 1.453 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3c(cc2SC)OCCO3)CC1 607058025 KHIJNOJYZQUPCQ-UHFFFAOYSA-N 406.508 1.631 30 10 HDEE N#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 609436459 LPFFNPJWJDMRRS-KRWDZBQOSA-N 406.508 1.749 30 10 HDEE N#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 609456588 DULOIZSCWCFGKQ-KURKYZTESA-N 403.504 1.284 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cccc(C#CCCO)c1 703984236 PXAYJTAFCRFLHU-UHFFFAOYSA-N 412.467 1.849 30 10 HDEE COc1cccc([C@@H]2C[C@H]2C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 730342061 CRVVSSMJEODVSC-ZWKOTPCHSA-N 424.457 1.859 30 10 HDEE COc1ccc(Br)c(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732448174 GLBHPFROZGMQAC-FOCLMDBBSA-N 423.267 1.783 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 732468200 GJVJEDDMFCVUQT-FMQUCBEESA-N 417.510 1.337 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732562060 ZUSPWNVIKJZVHD-MRXNPFEDSA-N 414.531 1.423 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)c2ccc(C#N)nc2)CC1 734601822 LPJVRFCTIMITHQ-UHFFFAOYSA-N 406.442 1.840 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1C#N 747022705 QKNQCUUIUYHOQU-UHFFFAOYSA-N 406.416 1.538 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 748980548 GWKLREHOOKLNSL-ZCXUNETKSA-N 416.409 1.338 30 10 HDEE C[C@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 750246086 HNORJWVXANQHQT-KGLIPLIRSA-N 415.471 1.557 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1 750417274 XJYZKEAGGLMDEW-QGZVFWFLSA-N 417.512 1.799 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)n1nnc(-c2ccccc2)n1 760400884 DYMJRTJZPFMATI-AWEZNQCLSA-N 402.480 1.821 30 10 HDEE O=C(COC(=O)CNC(=O)c1cccnc1)NCC#Cc1cccc(C(F)(F)F)c1 767616192 VMSRYZPWSZAFKI-UHFFFAOYSA-N 419.359 1.541 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1C1CC1 770772866 BVJXPFWCEAKCPM-GXTWGEPZSA-N 402.455 1.111 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 776530080 FCZIWROIWLOHFL-OQIJWPOYSA-N 406.504 1.443 30 10 HDEE CCn1c(=O)c2ccccc2n2c(COC(=O)[C@H](O)c3ccc(C#N)cc3)nnc12 780206766 SNYKKUUXMVRIRN-GOSISDBHSA-N 403.398 1.713 30 10 HDEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 785283075 GBPQDAFEKFESHW-WOJBJXKFSA-N 420.469 1.380 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccnc(-n4ccnc4)c3)CC2)c1C#N 788313867 QQRVKFGWCFIISB-UHFFFAOYSA-N 405.466 1.213 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1)c1cc[nH]n1 789963073 HAYFBEFFXHUURY-YOEHRIQHSA-N 400.435 1.682 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 797665156 LCYPXQFXXZXHMC-WUKNDPDISA-N 400.439 1.500 30 10 HDEE C#CCN=c1nc(N2CC[C@]3(CCCOC3)C2)[nH]c(N2CC[C@]3(CCCOC3)C2)n1 804717040 WQKLPBJQVBZZNU-FGZHOGPDSA-N 412.538 1.352 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 805786391 QNPCCXZILVYICV-CTNGQTDRSA-N 414.550 1.489 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 809926752 RKCBEAPSAYHTAM-JLTOFOAXSA-N 420.514 1.474 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(c2noc(C(F)F)n2)CCC1 816927503 AVGBBPDEZAKURV-UHFFFAOYSA-N 411.390 1.241 30 10 HDEE COc1ccc(N=C2S[C@H](C(=O)O)CC(=O)N2NC(=O)c2ccncc2)cc1 1084307920 ORQNQJCRLFMISZ-AWEZNQCLSA-N 400.416 1.841 30 10 HDEE C#CCN(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 1125883301 KIUZKPDBPSHQPP-INIZCTEOSA-N 407.488 1.670 30 10 HDEE COC(=O)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 1134343542 IODONOZOOLIPQE-HOTGVXAUSA-N 414.462 1.857 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)cc1 1136335341 WLMRKOZZRGUYFH-UHFFFAOYSA-N 403.460 1.849 30 10 HDEE C=CCC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CCOCC1 1138012183 ABVIEBIGASWBAL-UHFFFAOYSA-N 410.492 1.725 30 10 HDEE N#CCCN(C(=O)CNS(=O)(=O)c1ccccc1N)c1ccc2c(c1)OCCO2 1143799914 SAPJFKRCZNMBMG-UHFFFAOYSA-N 416.459 1.265 30 10 HDEE CC(C)c1ncc2c(n1)CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1148529974 REEXYYMGDTYXJX-UHFFFAOYSA-N 413.503 1.614 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1149517785 AOHGLVXONHUYKV-PKOBYXMFSA-N 407.474 1.334 30 10 HDEE COc1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1OCC(N)=O 1152023369 IAPZTLAHVKSXBG-UHFFFAOYSA-N 412.421 1.532 30 10 HDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1159761434 DQTHHJIULFRNFN-CQSZACIVSA-N 404.410 1.216 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](O)c1ccncc1 1169737047 VDSMOAYEUOGSGI-ZIAGYGMSSA-N 408.336 1.762 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1191339962 IZVXEYKHBAYOEY-UHFFFAOYSA-N 407.580 1.880 30 10 HDEE Cc1c(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cnn1-c1ccccn1 1193780595 GTZDBTVRJBLFJL-UHFFFAOYSA-N 408.487 1.958 30 10 HDEE C#Cc1ccc(CNC(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 1220860724 BRYVJZTTYKNXBD-UHFFFAOYSA-N 414.506 1.984 30 10 HDEE N#C[C@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1221490412 CICXIOXMEBDFKK-SJORKVTESA-N 406.508 1.589 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(c3ccc(C(F)(F)F)cc3)CC2)c(=O)nc1O 1234336083 GHDSCUDQAMDCRJ-UHFFFAOYSA-N 421.379 1.870 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)s1 1252034580 CWZXSHYCRJKTLZ-CYBMUJFWSA-N 410.455 1.826 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc(Cl)cc2c1OCC2 1255813368 OYGCXIVAROBXLM-SUFBMKPHSA-N 409.895 1.916 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286316362 KHFZWVWDZAMANG-WCXIOVBPSA-N 409.556 1.553 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccncc2)CC1 1286358599 JDPXZQHDVUBXEQ-UHFFFAOYSA-N 424.553 1.093 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383600 YFZGZNWGVSJFHC-HLLBOEOZSA-N 421.567 1.479 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(O)cc2)CC1 1286492513 HPCJEYQBAVZQNN-SFHVURJKSA-N 409.490 1.502 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1286821539 OPEFADKQHZKMAG-HNNXBMFYSA-N 411.572 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286825185 MZCHOBVHVIHDER-HUUCEWRRSA-N 412.512 1.120 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1288195949 XMVVDZMMKHJYSB-QFIPXVFZSA-N 421.505 1.590 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1289201357 MYGNYMOLIMEZRZ-RXVVDRJESA-N 415.515 1.503 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289202097 XCICMAGVLFWOFW-YWZLYKJASA-N 412.471 1.069 30 10 HDEE C[C@]1(C#N)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CCO1 1289341896 ZSGMIWKIWQEIDE-ZWKOTPCHSA-N 408.817 1.387 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(N)=O)CCCCC1 1292234351 ZJJUUPMEHOXUAJ-MTSZKFMLSA-N 404.511 1.197 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ncc(Br)cn3)C2=O)cc1 1297333127 BBLWXYWCUBEIEM-AWEZNQCLSA-N 400.236 1.642 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1300491937 JQOHYNUFLDXBGF-KRWDZBQOSA-N 402.524 1.662 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)N(C)CC)CC1 1300719266 UKKNRBWGXWFDIJ-UHFFFAOYSA-N 422.533 1.698 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(CC2CCOCC2)CC1 1300776301 GZUHYDSCVSHCBF-UHFFFAOYSA-N 407.584 1.730 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)CC1 1300881329 NSNVNLARRUPWOH-IEBWSBKVSA-N 415.542 1.428 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1301726801 YZNKVDZYONMKAM-UHFFFAOYSA-N 401.430 1.998 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC(=O)N1 1302087803 WQNOEPXWGPXLFA-MRXNPFEDSA-N 408.510 1.447 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1302451962 OHEWONXIWQCCJZ-QFIPXVFZSA-N 423.521 1.503 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1303496349 IEUVLJRVBQLRQP-ATZDWAIDSA-N 409.462 1.176 30 10 HDEE C=CCn1cc2ccc(NC(=O)c3cc(S(=O)(=O)NCCOC)c[nH]3)cc2n1 1304007575 XHSUUHPJJWTHHK-UHFFFAOYSA-N 403.464 1.727 30 10 HDEE C#CCCN1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1307653002 BLSUTUDYUAYNGY-IBGZPJMESA-N 409.452 1.808 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(O)CCOCC1 1316173032 WKERFEHPYNTXAQ-MRXNPFEDSA-N 407.515 1.674 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1316296889 DCHZBGRAKXMRMU-HCXYKTFWSA-N 418.542 1.463 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCN2CCSCC2)CCO1 1316539970 ITHYKBUFPKDKFD-MRXNPFEDSA-N 404.565 1.708 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)C1 1320188505 VBUMTKVFELCYLO-NSHDSACASA-N 403.298 1.774 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1358965446 VJKSDLHHLSFAHO-INIZCTEOSA-N 407.565 1.917 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358966676 UAZCTGNVXPDTBV-ROUUACIJSA-N 422.551 1.053 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1358999386 PKIYOHOMKFQPHY-HDICACEKSA-N 402.543 1.473 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1359045746 ROVVUEYZUJSRHJ-QFIPXVFZSA-N 413.522 1.924 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1 1359097729 SMPNCBVHPRHTPE-RDJZCZTQSA-N 405.524 1.500 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359333363 VOIAFGVOBWLRHR-GOSISDBHSA-N 424.615 1.046 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1360486540 QQCDHVNSBRDFLV-CJNGLKHVSA-N 409.494 1.432 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1=O 1360771107 SUNQGUIVLUIMAG-KRWDZBQOSA-N 409.446 1.711 30 10 HDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1360784564 HHMWVCLSUYTXJT-HRAATJIYSA-N 415.542 1.470 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1360794921 UZBYSGZKOYTCMF-HXUWFJFHSA-N 414.535 1.634 30 10 HDEE C#CCN(C(=O)c1csc(I)n1)[C@H]1CCS(=O)(=O)C1 1435068128 DQBAOOLSQGPERF-QMMMGPOBSA-N 410.258 1.010 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 1443358698 SQBSAOXGHMLSIY-UHFFFAOYSA-N 416.469 1.464 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCn3cnc(C(=O)OCC)c3)n[nH]2)c1C 1448771364 WLVSTZMRQZTNTF-UHFFFAOYSA-N 411.466 1.879 30 10 HDEE CC(C)n1cnnc1CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1450507315 AVMUESLSRILXTC-INIZCTEOSA-N 409.450 1.594 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1452490863 UFCPTNJJXPYQMO-GOSISDBHSA-N 414.506 1.967 30 10 HDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1455604054 GXYYQRXDNIPJEC-DNTCVELPSA-N 411.414 1.550 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)c1cccc(Br)c1)C1CCN(C)CC1 1456169273 NIKGUJLTYHADEC-UHFFFAOYSA-N 413.337 1.779 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1459461418 COOQGTLTZTUCQX-MRXNPFEDSA-N 419.275 1.519 30 10 HDEE CN(C)CCNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1465491824 HSZBOQLMXFITIA-UHFFFAOYSA-N 421.339 1.780 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)CCOC)cc1 1466176604 VLYDCZOTCOTSEE-UHFFFAOYSA-N 410.492 1.916 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C2=O)cc1 1467707568 QHMOWAQPZWUFRF-PWRODBHTSA-N 405.454 1.932 30 10 HDEE Cc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 1469366916 GTSNJLAXTJMQFA-LBPRGKRZSA-N 400.460 1.550 30 10 HDEE COC(=O)C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1470118924 DCIGVPQYHMHQNQ-WBVHZDCISA-N 412.446 1.469 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CCO1 1470137100 LDGIABZMWPURAS-RTWAWAEBSA-N 411.462 1.736 30 10 HDEE N#CC1(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCC1 1470689553 RQTCBEPYGVCIJE-UHFFFAOYSA-N 401.492 1.547 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)C1 1471832993 NCZKFPCKTPNYID-GOSISDBHSA-N 419.547 1.744 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 1472408606 VGHNJZPEASUOKS-UHFFFAOYSA-N 419.503 1.291 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CC1 1476428760 WKTULMHNAVXLOO-UHFFFAOYSA-N 401.448 1.269 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)OC 1504579972 GIKMYQKAYFXMME-HZPDHXFCSA-N 417.466 1.352 30 10 HDEE COC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1504700843 IHVAELBFPMDWLE-UONOGXRCSA-N 405.480 1.166 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1507522205 BMCKREGZPBRVHX-QGZVFWFLSA-N 410.522 1.576 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1507605211 RJLRSSMIVOBMLU-WIYYLYMNSA-N 405.543 1.356 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507631010 AYQHGJWWOUYIFQ-JKSUJKDBSA-N 419.551 1.087 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(O)CCN(C(C)C)CC1 1507651581 QUQANNCOSOBRCR-UHFFFAOYSA-N 406.534 1.572 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1507730565 TWDBVRHJBYGVQL-GOSISDBHSA-N 424.540 1.588 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507752207 UICMHHZBNWZPBM-KRWDZBQOSA-N 413.551 1.260 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507755614 VNTVGQGDJKLOGK-LBPRGKRZSA-N 417.457 1.489 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@@H]1C 1507773386 REORKQIYUILTLJ-FIYPYCPBSA-N 406.552 1.723 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507861213 DYMOXDMHTBIYMH-UHFFFAOYSA-N 410.931 1.953 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1 1508425985 CZWNYTDPNFNZFO-KXBFYZLASA-N 405.572 1.434 30 10 HDEE CO[C@@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517781494 SRZRCNBPPZXIRU-HNNXBMFYSA-N 422.493 1.710 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1518520116 PVJWOWDAEFETIO-IAGOWNOFSA-N 411.462 1.940 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)cc2S1(=O)=O 1521200348 OYKWPMPGPRLLNK-ZDUSSCGKSA-N 413.381 1.531 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)CC#N)CC2)cc1OCC 1536282209 RWTYYWVIICWZRD-HNNXBMFYSA-N 409.508 1.867 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1536709375 RTDSXAFPDYRKBB-UHFFFAOYSA-N 411.462 1.242 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cccnc3S(=O)(=O)C(F)(F)F)CC2)C1 1538583358 SXSWUIIRYFGFRT-UHFFFAOYSA-N 404.366 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1538973762 PZJNUQBGWDDKJN-ZIAGYGMSSA-N 422.580 1.902 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1538993980 WJXFSTCQYZQVJL-AWEZNQCLSA-N 419.507 1.114 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539201908 CPDYTMPCDZISBC-XMTFNYHQSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCC(=O)NCc1ccccc1 1539324256 SBYXCDUFRWMWRB-HXUWFJFHSA-N 405.502 1.951 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CC)CC1 1539477840 ZZGKHXVZYNKRMC-INIZCTEOSA-N 400.527 1.631 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1539519702 IXBGOBDNTDNBRA-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)[C@@H](C)CCC 1539555747 APXHIWOEPLDSIP-CKJXQJPGSA-N 400.527 1.774 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cccn2)C1 1539778478 BFYZARSPFBDQKW-HOTGVXAUSA-N 410.906 1.857 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1540139207 AAERLLJXMGBJAM-LJQANCHMSA-N 405.524 1.822 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCSCC2)CCOC1 1541105987 PFKCZUVHVRVAPI-FXAWDEMLSA-N 422.599 1.963 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)CCO1 1555993066 HKPISTSQJAHGQP-CVEARBPZSA-N 419.482 1.291 30 10 HDEE C=CCOC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC 1556375133 ANGJXGBTQLEKJE-LSDHHAIUSA-N 423.853 1.405 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 1556828538 VHIMFZVNNYKMSI-SIKLNZKXSA-N 401.507 1.874 30 10 HDEE C=CCOc1ccc(CC(=O)N2[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]2C)cc1 1556930891 XPNYJRFPMNNUBO-RHSMWYFYSA-N 406.504 1.763 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C2 1557207446 SGIVOEXVQBKEIM-UHFFFAOYSA-N 418.862 1.131 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)CC)cc1)C(=O)OCC 1557934836 PMMSKHBTKNJSKQ-HNNXBMFYSA-N 402.900 1.930 30 10 HDEE Cc1nc(=NC(=O)c2ccc(F)c(NS(C)(=O)=O)c2)n(-c2ccc(C#N)cc2)[nH]1 1558937556 NEALOUYQQOZIHE-UHFFFAOYSA-N 414.422 1.632 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)NCCS(=O)(=O)C2CCOCC2)c1 1564072838 AWZNGYFEJBOQDU-MRXNPFEDSA-N 409.508 1.761 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(C)(c3ccccc3)CC2)CC1 1564328028 PWNDLTIABRDCKA-UHFFFAOYSA-N 418.563 1.682 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(F)cc1 1564995598 BUHGXIOLDUTNHH-TWODHEICSA-N 422.478 1.698 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1568773619 CCMYHQWIRXEMOP-LJQANCHMSA-N 423.517 1.862 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)Cc2cccc(OCC#N)c2)C1 1584013274 GRLMWWASRCOHFA-NRFANRHFSA-N 414.462 1.775 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1584886459 HBHSUDUCGYDVCS-MGPQQGTHSA-N 423.963 1.999 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1587317501 NWIAZMXTFIINRO-IRXDYDNUSA-N 404.511 1.601 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1 1588013798 BJJASLSNUPAFNC-QGZVFWFLSA-N 405.520 1.742 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588029262 FJHWVNYZMODCNC-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1588035391 TWERKJWPEZWPGR-QGZVFWFLSA-N 418.519 1.473 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1588139724 QNVSGVVWOKRSIR-KXBFYZLASA-N 418.544 1.222 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1588659210 FRUHGATUNYYXBS-OAQYLSRUSA-N 401.486 1.161 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(N2CCNC2=O)CC1 1593729713 NXJIATZIKMLCSU-UHFFFAOYSA-N 413.526 1.870 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC)CC1 1594431081 VJSXQCACJNFXLP-UHFFFAOYSA-N 402.524 1.808 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2C)C1 1595723028 QBZKQGKNPUQTJR-IRXDYDNUSA-N 417.535 1.713 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595879376 WBOHFZMYJJPGIF-KBPBESRZSA-N 419.511 1.418 30 10 HDEE CC(=O)NCC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1596577258 NJZFHTJEYMGCBT-UHFFFAOYSA-N 413.482 1.282 30 10 HDEE COC(=O)CN(CC(C)C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1611046763 DDXKRAFRDIVGFQ-UHFFFAOYSA-N 423.535 1.943 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1619368630 DKKLVEDVVKTYEH-GOEBONIOSA-N 403.508 1.975 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1619615935 MORDHUNMYXRQKA-SFHVURJKSA-N 402.474 1.570 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nnc(C)s1 1619989214 DAUZQFJKVDHORZ-YVEFUNNKSA-N 409.491 1.847 30 10 HDEE COCCOCCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620072433 HSQLCHAZUXKKGD-UHFFFAOYSA-N 412.494 1.819 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)c1 1623316271 OAYCHBINBVVDCM-AWEZNQCLSA-N 415.446 1.938 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCN(C4CCC4)C3=O)C2=O)cc1 1623759299 AVDKLXZMWQZHAL-IAGOWNOFSA-N 409.446 1.033 30 10 HDEE C=CCn1cc(C(=O)NC[C@H](CO)Cc2ccc(OC)c(Br)c2)nn1 1624336149 UJYFJNVKTUOYLP-CYBMUJFWSA-N 409.284 1.816 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C(=O)OC 1626205152 XWCCHPXIOSBOBD-DLBZAZTESA-N 420.462 1.169 30 10 HDEE COc1ccc([C@@H](CO)N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1631748329 CGFQPAJBVHDAIR-AUUYWEPGSA-N 417.487 1.426 30 10 HDEE CN(C)CC#CCNC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1631848920 JMJYTXKWMQTSLY-UHFFFAOYSA-N 409.416 1.041 30 10 HDEE Cc1c(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nn1C 1632532722 GPVLYCOUCWBEBB-GHMZBOCLSA-N 412.288 1.980 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)cc1 1635841646 SZVBLMJGIWQFDS-OAHLLOKOSA-N 400.456 1.915 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1635849322 GTPZOJFHRVFEIH-LBPRGKRZSA-N 402.373 1.930 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H](CO)NC(=O)c3cccc(F)n3)cn2)cc1 1636093819 ZKILHRZRMJPNAD-KRWDZBQOSA-N 408.393 1.067 30 10 HDEE COCCN(CC#N)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1637300824 GMRWPDHXMZXJSF-UHFFFAOYSA-N 414.503 1.747 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCOc3ccccc32)cc1 1638136486 WSCDZOSDAFBNMO-UHFFFAOYSA-N 415.471 1.306 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC[C@H]1OCCOC 1638862994 HFPWGEODVUHQSC-SOUVJXGZSA-N 406.907 1.959 30 10 HDEE CCOC(=O)C(C)(C)ONC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1639277192 WIACRGHHHXJSBR-UHFFFAOYSA-N 423.491 1.348 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2C[C@H](N(C)C)CC[C@H]2C1 1640537085 GRFZELUOMZNYQX-DZJNRPSUSA-N 404.536 1.414 30 10 HDEE C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785546 SBQANVCJDIPOLS-QYWGDWMGSA-N 422.526 1.318 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1643086003 BIWWAPCUDKUXJP-UNEWFSDZSA-N 418.460 1.543 30 10 HDEE C[C@@H]1CN(c2ccncc2)CCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1644945530 YEOFGTSMRWACKQ-MRXNPFEDSA-N 413.503 1.624 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)ccc1Br 1645445801 CEHYWTYKKPHGMV-CQSZACIVSA-N 407.249 1.989 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1656632441 UTQDTSVWCLZQRW-HNNXBMFYSA-N 402.538 1.467 30 10 HDEE C#CCN(CCC1(NC(=O)OC(C)(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1657420780 DUMNIJFXDASTHU-INIZCTEOSA-N 400.541 1.573 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 1672041849 AOQYYFJOWYTHBV-AWEZNQCLSA-N 418.425 1.816 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1675861883 FGVPGTJLZRHMPJ-IBGZPJMESA-N 403.502 1.886 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1679241054 GTQFAXJBRJLZRC-MJGOQNOKSA-N 414.506 1.764 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)s1 1682135723 AWZOTJUMPKZHAQ-UHFFFAOYSA-N 403.508 1.265 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2nc(C3CCOCC3)n[nH]2)CCN1Cc1ccccc1 1684457393 VNZULEQWLZEMJN-SFHVURJKSA-N 409.494 1.618 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 1685759567 QOLDOTIYVYBVRP-UHFFFAOYSA-N 424.505 1.819 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1689887267 VGWKAAFKQSKHOW-UHFFFAOYSA-N 400.483 1.770 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689986529 RVCDPINETXYYMB-IAGOWNOFSA-N 413.503 1.660 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1689988950 ZHTPOILAJADAAH-QGZVFWFLSA-N 420.539 1.122 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC)C1 1690066248 DDLNYYRJYYLNJP-QGZVFWFLSA-N 405.510 1.722 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1690077709 VCIBJEKRHNUWPV-QRWLVFNGSA-N 420.510 1.687 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1690104950 NSNNOPWKFJKWHT-UHFFFAOYSA-N 417.535 1.175 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCOCC2)CC1 1690130685 LVMZXKUVAIWOIU-UHFFFAOYSA-N 422.577 1.541 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690146823 XYOCHRNHJDCNDI-NZSAHSFTSA-N 415.538 1.420 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cnnn1 1690268748 XIITYVNSIKUROM-UHFFFAOYSA-N 406.498 1.996 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690311313 HPFQCQGROSGYBS-HKUYNNGSSA-N 400.527 1.941 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690677827 BNQDVTWOVXLSHN-QINHECLXSA-N 423.583 1.951 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCCCO 1694735438 OAXHFXXQMRIZHS-UHFFFAOYSA-N 400.531 1.633 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1694747058 ZBZCQLRJXSULIM-UHFFFAOYSA-N 406.498 1.111 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1696843041 CROJGHORKREWQT-UFOSLELVSA-N 411.466 1.415 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1697505630 DEAXDJBFVOWVTR-LIRRHRJNSA-N 419.507 1.099 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705523823 ZTWWPVLBFSFHPT-IERDGZPVSA-N 410.478 1.723 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1705542409 FYVPJMYDHCBMEB-KNQAVFIVSA-N 419.570 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1705600300 TZXAWKLZDPYOLL-VQTJNVASSA-N 418.501 1.519 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2csc(COC)n2)CC1 1705639260 KGWUZHIWMRVCSS-HNNXBMFYSA-N 402.524 1.188 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1705665254 OGTYKUVJCZDWQF-OXQOHEQNSA-N 421.567 1.400 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2ccsc2)CC1 1705900065 OTUIBEWFKJCOOC-UHFFFAOYSA-N 411.535 1.959 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1708258507 FIYWKYBEGVJTRE-INIZCTEOSA-N 413.478 1.495 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709339504 DOGFYNKQEFDFCJ-ZJYNUGOYSA-N 423.477 1.482 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1711085425 HDQYYSQFEKODHA-QGZVFWFLSA-N 407.478 1.263 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1712663817 JJNNWLYSRHVEDD-UHFFFAOYSA-N 408.484 1.054 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1722278664 RUHBUQUMKULLEK-IAGOWNOFSA-N 418.567 1.873 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1722349821 CKRMNQCAMSPJQY-UHFFFAOYSA-N 416.489 1.721 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCCCC1 1722354122 JARFBIODNJDNBZ-UHFFFAOYSA-N 405.506 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1722372797 ATWJZYNMENGASF-QFIPXVFZSA-N 413.522 1.406 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1722421282 KMUHZVYMGSIWPB-NHCUHLMSSA-N 422.526 1.210 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CC1 1722437047 OXHLEFPLKQWOBS-HXUWFJFHSA-N 421.549 1.116 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CC2)CC1 1722448397 BEOKHMMEERWDOZ-UHFFFAOYSA-N 423.517 1.368 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCSC2)C1 1722708717 CBHJUJRYUWEUJB-JXFKEZNVSA-N 423.583 1.846 30 10 HDEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730927919 TYVGNRWWNUNGRD-WMZOPIPTSA-N 404.515 1.012 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(C(N)=O)CCCC1 1730933935 XOHGLOWFIBTKLP-PMPSAXMXSA-N 404.515 1.644 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740570165 BTTLADSJHGORLF-UHFFFAOYSA-N 424.509 1.113 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740576155 SEPSWOWOCWUVGW-RBUKOAKNSA-N 415.538 1.803 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740595876 ZKVZZAVHSGSMEB-OAHLLOKOSA-N 414.535 1.740 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740612652 XBXNSKRKBIFYBQ-UHFFFAOYSA-N 421.505 1.588 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1740614731 CGQVLRBMPQTPDS-UHFFFAOYSA-N 413.956 1.842 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740625416 FKSHYECCTMQDPR-IRXDYDNUSA-N 410.540 1.573 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740627588 RBNLQXVNGJNNMI-QZTJIDSGSA-N 422.551 1.392 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC)CCOCC1 1740630517 IYVXELKMNGUHMT-MRXNPFEDSA-N 407.540 1.168 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(S(C)(=O)=O)CC1 1740643025 CNOVMKFGCMPJKP-UHFFFAOYSA-N 421.526 1.931 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCO1 1740681859 XAVZTQIOKDIZMI-SFHVURJKSA-N 408.466 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740706100 RFJZCPBYIHQAOD-ZHALLVOQSA-N 415.538 1.563 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)C1 1740762546 FHOGBBIOVJDAQK-PXNSSMCTSA-N 413.526 1.399 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CCc1cnccn1 1740953750 PQVOGXQXRDRPQW-UHFFFAOYSA-N 407.478 1.725 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(F)cn2)CC1 1740965785 MPOCFKMNWYCUSU-MRXNPFEDSA-N 415.473 1.293 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CCCO)C1 1741983996 GJEJEAPIHZNULI-UWJYYQICSA-N 410.526 1.712 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@H]1CCCO1 1742837318 OVVCSEPIQRDWMT-LJQANCHMSA-N 411.510 1.766 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CC#N 1744512694 FKERAXNFICODQL-AWEZNQCLSA-N 414.514 1.492 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)OC)CCN2C1=O 1746339945 PNNPNCMNMFNJRC-YOEHRIQHSA-N 423.477 1.324 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1746683937 HUBQIUPQLSVSEQ-SFTDATJTSA-N 416.526 1.539 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCC(OC)CC1 1747212685 HCHCUVDIOJXSGC-KRWDZBQOSA-N 406.531 1.433 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748305834 KWPIRRDTHUZGMO-OHTQGHCMSA-N 414.466 1.071 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1748684357 HQUFBEXJZBNSON-FZFLATATSA-N 422.493 1.124 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748715948 TVRHYCUDVIIYJH-JKSUJKDBSA-N 412.498 1.117 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748804094 CPSXWRCLZGBLBC-RTBURBONSA-N 401.536 1.516 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nccs2)CC1 1748971544 UVWPBVRFTBMIQQ-UHFFFAOYSA-N 401.540 1.261 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1748988812 BVFAKQZKDYZEEX-LJQANCHMSA-N 422.533 1.793 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC1 1749056207 DCBDMWUIRYXDNQ-LJQANCHMSA-N 400.504 1.866 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCOCC1 1749600457 ZDDAMTJWQPUVHZ-GOSISDBHSA-N 407.559 1.922 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(OC)CC1 1749683196 LQEWEABTYRVHSV-MDKPJZGXSA-N 421.542 1.700 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749760098 BWAHHMCKCYSOCN-CABCVRRESA-N 404.540 1.035 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1750006961 JQUQTFXKDONHEA-STQMWFEESA-N 411.413 1.371 30 10 HDEE CC(C)[C@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1750075103 BMJUHTPROMGXOV-QBPKDAKJSA-N 409.556 1.837 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 1760148529 CSBCNMFXAPOOEN-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2nc(C)cc2C)nc1 1760176399 JRGWIHDNBWOCHU-UHFFFAOYSA-N 418.505 1.716 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1760190311 VPPFUMHUBSSLOE-OAHLLOKOSA-N 405.549 1.849 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1760277591 PWFSGUURGBSIAW-UHFFFAOYSA-N 406.515 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760297997 QUQCIQBUKSYFGW-PGRDOPGGSA-N 416.570 1.749 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760451305 FGURORGVRNSIML-LJQANCHMSA-N 410.522 1.984 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760524173 QPMCGAJEUIXROV-SJLPKXTDSA-N 413.526 1.939 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1760528245 WTIZBEHZDSWBIM-CYBMUJFWSA-N 404.437 1.190 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1765601910 CRBVUAGHAYXUAA-HNNXBMFYSA-N 417.539 1.525 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1768834692 GIIUMYDHIRDMFL-UHFFFAOYSA-N 404.421 1.767 30 10 HDEE CNC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1769338989 GQSKUJDMLRTBBE-HXUWFJFHSA-N 404.515 1.585 30 10 HDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1769774961 DYGLYOYISXCPMI-SFHVURJKSA-N 411.510 1.097 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1770338818 CXZOEMJTAAQGMA-UHFFFAOYSA-N 407.471 1.781 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1772842597 UOVVAQJVILVCHT-YJYMSZOUSA-N 402.455 1.407 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCCc3nc(C#N)ccc32)c(=O)c2oc3ccccc3c21 1850769885 ICBRKXCQYYYFBK-UHFFFAOYSA-N 415.409 1.692 30 10 HDEE COc1ccc(C)cc1N1C[C@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852460131 IECVLOSBROXFNY-SJORKVTESA-N 422.441 1.987 30 10 HDEE C[C@H]1COCCN1C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1852539640 DOSYYGDZZIVQTE-OXJNMPFZSA-N 413.499 1.695 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC(=O)C3(CCN(Cc4ccccc4)CC3)C2=O)CC1=O 1853103867 SUTHWDAFIPEFRH-SFHVURJKSA-N 409.486 1.241 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853823730 XIAYBDZYLSEJRF-ZWKOTPCHSA-N 414.506 1.464 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1=O 1853828465 MPJVZOFUOMZIEB-UXHICEINSA-N 408.502 1.878 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)ccc1F 1853950954 ZPEDQMHUQZJUPG-UHFFFAOYSA-N 402.407 1.074 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc2N1CCC#N 1853970347 VQTLXVHBAKHBPD-CQSZACIVSA-N 416.503 1.482 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@H]1C 1854281202 HUXWNNUTMNVPHN-KGLIPLIRSA-N 402.520 1.404 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@@H]1C 1854282581 LNLKIEBENGDVCZ-HOTGVXAUSA-N 423.510 1.472 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)CCSc3ccc(F)cc3)C(=O)C2)C1 1855073964 KKQPAFBUKVILTB-QGZVFWFLSA-N 404.511 1.967 30 10 HDEE C=CCN(CCCS(=O)(=O)NC(=S)c1ccccc1C)[C@@H]1CCN(C)C1=O 1855366549 FETQVIXAYIRDQK-QGZVFWFLSA-N 409.577 1.699 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cncc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855807010 MOBIYMGUCUHFHA-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)N3CCN(CCC#N)[C@H](C)C3=O)n(C)n2)c1 1856196925 FIKPCIYPXRSJNK-CQSZACIVSA-N 411.462 1.691 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CSc3ccccc3OC)OCC2=O)CC1=O 1856201667 QZWODENAAHAAQQ-GJZGRUSLSA-N 404.488 1.576 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)C1 1856363232 WZEKAFQKEJSOMF-QGZVFWFLSA-N 414.462 1.086 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1(C)C 1856392974 UENIBHQZCUQWSH-CQSZACIVSA-N 416.547 1.794 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 1856957163 ZZNJBGQXSQXSOV-QGZVFWFLSA-N 407.478 1.667 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cn(CC)nc2C)C1)[C@H]1CCN(C)C1=O 1857052967 FIBHAYIEGYPGAM-AEFFLSMTSA-N 401.511 1.309 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)COc3ccc4c(c3)OCO4)C1)CC2 1857213687 SVMODDOTZVHJBV-HZPDHXFCSA-N 411.458 1.795 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=S)NCC)cc1 1858987507 AOGYQMBOOHEGCC-UHFFFAOYSA-N 410.565 1.785 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1[N+](=O)[O-] 1862558375 SABMNLJCOHHQFS-SFHVURJKSA-N 424.413 1.891 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867094975 JQYANRPFINOJRN-SFHVURJKSA-N 411.368 1.956 30 10 HDEE CCN1CCN(c2nc(Nc3ccc(C#N)cc3)nc(N3CCN(CC)CC3)n2)CC1 1871731162 NVIHBVMBKQZERP-UHFFFAOYSA-N 421.553 1.771 30 10 HDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873562843 VUEYHCAVGPGELM-UHFFFAOYSA-N 419.489 1.156 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N[C@H](C(=O)O)C(C)(C)S 1882714168 RSMLCOYNNQTLOH-WCBMZHEXSA-N 404.514 1.252 30 10 HDEE COc1cc(F)cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889353143 UPLMWEGEWJGLHI-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)s1 1889437304 PASNUCDTWFOOLQ-UHFFFAOYSA-N 411.593 1.477 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1889659853 YUGNSBLYJOGSQR-HOTGVXAUSA-N 404.492 1.137 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)C2)c1 1890594065 UDTDTZZJGWCZQB-INIZCTEOSA-N 412.396 1.983 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(Br)ncc1Br 1890694499 UNNCLRYPBHQLFT-UHFFFAOYSA-N 417.101 1.672 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985102848 MQXGSPSKSITSJZ-CYBMUJFWSA-N 404.276 1.724 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2140653966 JMXJXBVKNUQEGC-BFHYXJOUSA-N 404.558 1.407 30 10 HDEE N#Cc1ccc(S(=O)(=O)N=c2cnc(I)c[nH]2)cc1Cl 2145528143 GRLWMOOLGBXLRD-UHFFFAOYSA-N 420.619 1.829 30 10 HDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174782343 PMGFSBLWOMWKDR-QLFBSQMISA-N 402.517 1.081 30 10 HDEE C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625905 DMRJIYCSQNDORE-JQWIXIFHSA-N 400.331 1.197 30 10 HDEE C[C@@H](NC(=O)N[C@@H](C)S(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2203126245 OAVLKSFLMOUHJJ-GHMZBOCLSA-N 402.347 1.798 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 2242595867 LGXZGYGVEHVYDS-VLIAUNLRSA-N 402.403 1.767 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247830903 UTDWFXPECIRMQR-BETUJISGSA-N 418.303 1.543 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@@](C)(C#N)C1)NC(=O)OCc1ccccc1 2258169910 KKGCUUSCTQGPAO-YJBOKZPZSA-N 409.464 1.020 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCC3CNC3)cc2Cl)OC1(C)C 2267352795 ARVQDFKKMSWKNG-UHFFFAOYSA-N 406.766 1.589 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CNC[C@@H]3C4)cc2Cl)OC1(C)C 2267353946 NUTPNQQIYKGYPN-BJOHPYRUSA-N 404.750 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1F 2282325434 FDPPORUMRCIYCK-NWDGAFQWSA-N 405.322 1.761 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(O)(C(F)(F)F)C3)s2)OC1(C)C 2282332468 BIVGPGWEAAPZDN-UHFFFAOYSA-N 413.248 1.345 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)C1CNC1 2282424439 BXIRNOGXFZFYET-VWLOTQADSA-N 420.387 1.114 30 10 HDEE CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489019 BRQQYUYVUCKSHU-NSHDSACASA-N 414.280 1.557 30 10 HDEE CC(C)[C@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282505404 CUSXISDLROGKED-CQSZACIVSA-N 403.737 1.934 30 10 HDEE Cc1sc(C(=O)N[C@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282639080 VSDSFAUEZSALPI-SNVBAGLBSA-N 401.359 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC[C@@H]1N 2282826404 RCWOBAZENBFDCU-QWHCGFSZSA-N 400.375 1.904 30 10 HDEE CCN1C(=O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1=O 2282849664 FIXORGVLSITKMG-UHFFFAOYSA-N 400.287 1.020 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOC[C@@H]3C(F)F)s2)OC1(C)C 2282852671 SDGUJMFMEKDODT-SNVBAGLBSA-N 409.285 1.702 30 10 HDEE CN([C@H](CO)CC1CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858340 VNXXOTWBGTTYKN-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@](C)(N)C3CCC3)s2)OC1(C)C 2282859777 QNFANQJXIRZKTJ-KRWDZBQOSA-N 400.375 1.843 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCSCC1(C)C 2282864483 GOLMCMSWCOUISZ-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CNC[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869868 JLNWSYILSBYSMV-CYBMUJFWSA-N 400.375 1.418 30 10 HDEE C[C@H]1CN(C)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883137 WHRKXGAXGLEHPZ-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CCCS(=O)(=O)N[C@@H](C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283929747 MVLKWUHOWXDAJF-JTQLQIEISA-N 403.335 1.099 30 10 HDEE C[C@@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407081 GZUFVZYMUHNCBE-ONGXEEELSA-N 419.355 1.584 30 10 HDEE C=C(CS(=O)(=O)N(CCC(F)(F)F)CC(=O)O)B1OC(C)(C)C(C)(C)O1 2284410401 BMWCABNFTNHPFN-UHFFFAOYSA-N 401.212 1.843 30 10 HDEE COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 2297487200 OXJSBIKBKNTFOZ-VFNWGFHPSA-N 401.463 1.811 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)cc1 2297645920 YELSNUWEOXIGAG-WOJBJXKFSA-N 406.442 1.474 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316807217 MKVQXPBBJUTDSI-MRXNPFEDSA-N 406.504 1.801 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2C[C@@H]2CC(=O)O)OC1(C)C 2360943260 FIYNRYHPZZRRSV-MNOVXSKESA-N 401.315 1.436 30 10 HDEE C[C@@H]1C[C@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367796549 QKCQGCKJMRHXOX-DYVFJYSZSA-N 401.481 1.436 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2367823015 HBSNALITBBTWEN-MPGHIAIKSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)N2CC(C#N)C2)[C@@H]1C(F)(F)F 2370221211 JZBGKQAKHOTJFO-NWDGAFQWSA-N 412.434 1.607 30 10 HDEE C[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 5801923 BVFFYSAVNCCQBF-JTQLQIEISA-N 403.254 1.539 30 10 HDEE CCOC(=O)c1sc2ncn([C@@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c2c1C 16893128 LHAXVJAPGIMJOT-JTQLQIEISA-N 414.447 1.748 30 10 HDEE CCCOC(=O)CSc1nnc(N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)[nH]1 21084189 JEWNQKZFRKUYKW-FRKPEAEDSA-N 410.412 1.918 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 42002688 RILQTEDXVKIABI-UHFFFAOYSA-N 401.536 1.417 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 254713674 NPMISSOGPDLTON-STQMWFEESA-N 400.453 1.682 30 10 HDEE CC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(F)c1 301205959 QEDIPYLUJRTDTK-UHFFFAOYSA-N 402.451 1.874 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@H](C#N)C1 432928361 REOLVEKBGDEWAV-YPMHNXCESA-N 401.282 1.610 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC1(CC#N)CC1 435954359 CGRSXZDSPQTMMT-GOSISDBHSA-N 421.519 1.961 30 10 HDEE CCOC(=O)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 441290932 VGYBOAHBJWOFFE-INIZCTEOSA-N 414.462 1.953 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 460810274 QMGFTQNFOOPFKO-KRWDZBQOSA-N 404.898 1.139 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)cc1S(=O)(=O)NCC#N 461029768 UHSWSSZJISSKFP-ZDUSSCGKSA-N 403.508 1.508 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCc1cnn(-c2ccccc2)c1 464863898 BQRMAIGUWXGMGA-KRWDZBQOSA-N 416.489 1.361 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2 473278489 DTQFIOSEFLEVOU-UHFFFAOYSA-N 421.501 1.916 30 10 HDEE CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)C1 478007717 YOQUHUVQVICUDM-HNNXBMFYSA-N 418.519 1.038 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1 478110408 DRKABTOTIODUFY-UHFFFAOYSA-N 416.489 1.718 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCO2 480448444 WKRWTNWXWRTMDX-QWHCGFSZSA-N 401.444 1.831 30 10 HDEE C=C(CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 488894351 GCYCQPAPTWUEDE-IPMKNSEASA-N 404.532 1.926 30 10 HDEE CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 499466413 DGEIPNXJHBOKGX-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE C=CCOc1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 508447811 FIOVDZKUSSFREG-XLAORIBOSA-N 402.447 1.886 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](S(=O)(=O)N(C)C)C1 511144791 LBCRNKMBPFUVOA-YJBOKZPZSA-N 410.515 1.817 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1C[C@H]1CCCO1 520866191 SQNXTNNHVXUYSE-GOSISDBHSA-N 423.538 1.511 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cc1 523652210 MOHWORVTUINXNX-GOSISDBHSA-N 424.522 1.970 30 10 HDEE N#Cc1ccc([C@H](NCc2ccccc2CS(=O)(=O)N2CCCC2)C(N)=O)cc1 532855852 AVOXKMBYJBRYOE-FQEVSTJZSA-N 412.515 1.800 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 534830818 VRYRMKPSACJWTP-QUCCMNQESA-N 419.957 1.715 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 535189206 CPSHRQGKKLUMHC-JKSUJKDBSA-N 417.477 1.910 30 10 HDEE Cc1nn(C)c(C)c1[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C(F)(F)F 540338839 HRKQIVODFKUBDM-QAPCUYQASA-N 414.476 1.922 30 10 HDEE Cc1nn(C)c(C)c1[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(F)(F)F 540338840 HRKQIVODFKUBDM-YJBOKZPZSA-N 414.476 1.922 30 10 HDEE CC(=O)NCCNC(=O)CCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543926058 XHGYZLBKLCDDGI-UHFFFAOYSA-N 402.842 1.368 30 10 HDEE CCCc1nc(=NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s[nH]1 547381257 XASYUSNUSQTNLC-UHFFFAOYSA-N 419.532 1.824 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553905682 NTGRRJYROCLPJE-HZPDHXFCSA-N 408.499 1.454 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1 555945762 LWAPWUFMKFAHKX-OAHLLOKOSA-N 401.492 1.543 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 566346857 IKJXLQXYXMHBCH-INIZCTEOSA-N 407.540 1.998 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)cc1C#N 572192998 RPEQOBQDSRHPMP-QGZVFWFLSA-N 402.407 1.856 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c(F)c1 586863598 UMIRGGJWNCJJMJ-INIZCTEOSA-N 414.824 1.889 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(OC)cc3OC)N2N1 588227124 NNCHQWGWVVWIQN-LJQANCHMSA-N 408.483 1.766 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 589506630 MCAYXSPGHCCNOW-UHFFFAOYSA-N 415.475 1.641 30 10 HDEE CN(C)C(=O)COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603657111 XKRDRQRIMLRFKL-UHFFFAOYSA-N 408.462 1.774 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)CC2 611024977 VZELHNHRRHPMJB-UHFFFAOYSA-N 412.393 1.901 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)s1 619487861 XVIKZGWSZPGHRS-UHFFFAOYSA-N 420.516 1.897 30 10 HDEE COCC(COC)S(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 688577909 ZUKJENRCXLYFGM-UHFFFAOYSA-N 405.347 1.128 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 729333333 WGCGCMROCLUJCU-QGZVFWFLSA-N 417.487 1.160 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730139522 QWXNMKXEUGKWQR-INIZCTEOSA-N 410.515 1.780 30 10 HDEE Cc1cc(C)n(-c2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)n1 732445676 AZIKCRTVKKSTNE-VHEBQXMUSA-N 409.450 1.210 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732648803 HZSSXPFFPQAIIJ-GOSISDBHSA-N 402.520 1.674 30 10 HDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 733622481 ZWUDNRATQWCDIF-UHFFFAOYSA-N 420.535 1.843 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3cccc(NC(C)=O)c3)c2=O)cn1 735069033 OFBYBHISEGCCQN-UHFFFAOYSA-N 418.482 1.491 30 10 HDEE COC(=O)[C@@H](NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(C#N)cc1 739990846 SXCKKVJBTISXDA-FQEVSTJZSA-N 406.442 1.134 30 10 HDEE COC(=O)[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740188322 DSLPOZBTMLDPSU-KRWDZBQOSA-N 413.411 1.054 30 10 HDEE C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 758688519 GDTQLKIEPLXHSY-KGLIPLIRSA-N 415.471 1.823 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 767705662 RPFGRMJOJMXPCH-RNODOKPDSA-N 403.435 1.639 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767883042 XOSPWEOZFQAJIE-UHFFFAOYSA-N 414.487 1.524 30 10 HDEE CC(=O)OCC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 777795634 YCLZFFAGIRVVPB-UHFFFAOYSA-N 407.492 1.371 30 10 HDEE COc1ccc(CN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 780933964 DNOHCFGHFQQCFR-UYAOXDASSA-N 414.483 1.816 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccn(-c3cccc([N+](=O)[O-])c3)n2)n1 788818481 OUPFYIIEFVGVHT-UHFFFAOYSA-N 408.418 1.899 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2F)n1 790108862 GUPZWWAFQIXNHP-UHFFFAOYSA-N 422.482 1.195 30 10 HDEE C[C@H](Sc1ccccc1C(=O)NS(=O)(=O)Cc1ccccc1C#N)C(N)=O 802030418 DIGFRIOEUNPBQO-LBPRGKRZSA-N 403.485 1.784 30 10 HDEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780553 CMYIADVRSCCGHX-UPTRSRDDSA-N 407.471 1.165 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nocc2C(=O)OC)cc1 808268011 YZHGLQRJBBHLFR-UHFFFAOYSA-N 405.432 1.038 30 10 HDEE CCCCCCn1cc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c(O)nc1=O 810083045 WLTCYKDMHMJASK-UHFFFAOYSA-N 420.491 1.888 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)cn1C 813166591 AXRNDMTUPIIKEI-UHFFFAOYSA-N 403.464 1.139 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)CC2)c1 815978000 ICWHOHRFRMGSHA-JTQLQIEISA-N 400.254 1.042 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856608807 ARNOQVJWNVQJAY-HBMCJLEFSA-N 403.486 1.904 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)NCCNc3ncccc3C#N)cn2)CC1 916419145 YZPRYLPQCDWBGQ-UHFFFAOYSA-N 408.510 1.401 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CCOCC1 1133710100 SAYLGNWULLXPBO-GOSISDBHSA-N 414.502 1.784 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccc(N4C(=O)CCC4=O)c([N+](=O)[O-])c3)CC2)C1 1134301555 NUCNAXRRSFEKSF-UHFFFAOYSA-N 413.386 1.726 30 10 HDEE C=CCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1140880115 YKURMIRCJRPKRZ-UHFFFAOYSA-N 422.507 1.244 30 10 HDEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)nn1 1142655536 IEPOVWFUZBTOHJ-UHFFFAOYSA-N 403.386 1.078 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1148620724 ROGOZWFIJNWTCS-INIZCTEOSA-N 400.284 1.560 30 10 HDEE CC(C)(C)OCCCN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1153388482 ITYGHNALUSHPBB-UHFFFAOYSA-N 421.563 1.822 30 10 HDEE CCc1noc([C@H]2CC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 1158157872 NXPVPIJWTVPCNL-JKSUJKDBSA-N 402.476 1.871 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1164282442 KJTQFPZAALHNPA-CVEARBPZSA-N 422.463 1.689 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H](C(=O)OC)c2ccc(C#N)cc2)CCO1 1196554756 YKIGISHNBVKVDZ-LAUBAEHRSA-N 404.463 1.831 30 10 HDEE C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc(Br)cc1 1211982728 ZGUOBTIXQPMDSN-AWEZNQCLSA-N 423.354 1.324 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2=O)cc1 1227630401 AZUOSGJEBPOJRK-PMACEKPBSA-N 410.449 1.701 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1228796590 RXAHQTLULSLRRN-UHFFFAOYSA-N 407.478 1.375 30 10 HDEE O=C(NCC#CCO)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1235580124 DKDMCSZFBXTEHI-UHFFFAOYSA-N 415.519 1.099 30 10 HDEE C=C1CCC(C(=O)N2CCN(CCN(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1284820983 IEHMCEWEANFPGV-TXVWBRJLSA-N 401.551 1.759 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1286375919 AECWCFNIUNWXCP-KRWDZBQOSA-N 424.530 1.698 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286390636 DAEPZLCDEAWKFW-HNNXBMFYSA-N 405.549 1.671 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286393625 FNXMWNUUWKRQGZ-INIZCTEOSA-N 410.540 1.137 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC(=O)N(C)C 1286451978 GBJFOWUFTYWAIV-UHFFFAOYSA-N 414.485 1.674 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCOCC2(C)C)CC1 1286479300 GRBVRSPZEBLPFH-LJQANCHMSA-N 416.570 1.386 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2ccn(C)n2)CC1 1286482721 XACQEJJPNRGRNQ-UHFFFAOYSA-N 419.533 1.609 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C)CC1 1286514926 RTYOKFZXAROHCX-QGZVFWFLSA-N 413.551 1.921 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1286634169 RWAZSFQILDXFCW-UHFFFAOYSA-N 424.505 1.583 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286833693 LJPBMLNIZFRSHM-MRXNPFEDSA-N 400.508 1.824 30 10 HDEE CC(=O)NCCCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1286954305 DTCABKTVWKQVIL-RTWAWAEBSA-N 418.542 1.975 30 10 HDEE Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1290354454 BOGUMZWKIFIDMX-WBMJQRKESA-N 412.516 1.749 30 10 HDEE CCCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1294898261 FVLOQKQWRPLWMG-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1300018905 OBKKEPOFEFSZIF-IBGZPJMESA-N 423.498 1.446 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1300376491 KXVYPKRILOFOKJ-HXUWFJFHSA-N 404.515 1.195 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300487183 HKTFDDDLNHRBLQ-RDJZCZTQSA-N 405.524 1.571 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300498793 NGXRGNCYUNETHY-KURKYZTESA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1300511644 KICGTWVJRXYKSR-LPHOPBHVSA-N 408.449 1.816 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nccc(C(F)F)n1 1300648465 GUBJZAMLRULJQN-UHFFFAOYSA-N 419.436 1.376 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300731841 IFTBADOKEDQSOH-GDBMZVCRSA-N 418.567 1.278 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCOCC1 1300778695 DVJXICSUWTZQNS-LAUBAEHRSA-N 400.527 1.227 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300960816 NGZGYPPFANXWIP-UHFFFAOYSA-N 424.571 1.275 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCNC(=O)CC1)C(C)C 1301368103 XJZIIGDVGXLWAP-LJQANCHMSA-N 424.553 1.760 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1302174263 OACGQTCYODUEJG-SFHVURJKSA-N 412.494 1.583 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1303003059 BPGUGLOQRVJIIE-BBRMVZONSA-N 400.414 1.289 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 1303026617 QXSKNTFHYLDZHG-KRWDZBQOSA-N 400.500 1.781 30 10 HDEE CC(C)OCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1303538394 FSRJVHDBXFCZMD-INIZCTEOSA-N 413.482 1.859 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CSC)C(=O)OCC)ccc2c1=O 1303617456 DBIJZWJVBBGNLF-CQSZACIVSA-N 407.517 1.896 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCS1 1305147282 BMKNLNZIZOVPKX-CYBMUJFWSA-N 406.537 1.308 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@@H](NC2CC2)C(F)(F)F)c1 1306905699 TUGGPNZLDJXFRU-CQSZACIVSA-N 404.414 1.026 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)Cc1cccc(F)c1Br 1309337355 HGSULWZZJJCCRH-UHFFFAOYSA-N 400.291 1.608 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 1309654498 MHKUDPWRTATPJA-UHFFFAOYSA-N 414.867 1.637 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 1309801672 WSAYROSBJZROSZ-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)C1CSC1 1310960833 PHFKWLUQQPPDQP-UHFFFAOYSA-N 423.560 1.852 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 1311561431 PQRZHCUDIHMTHG-UHFFFAOYSA-N 418.523 1.638 30 10 HDEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1CCS(C)(=O)=O 1316099791 DBOYAYWWOGKRIX-UHFFFAOYSA-N 416.507 1.837 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@@H]1OC 1316284591 BBFCGHWRFRGRBC-WDHIOAMHSA-N 423.489 1.496 30 10 HDEE CSc1nc(O)c(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)cc1C#N 1346097030 JFWRWNPTZDBMML-AGUYFDCRSA-N 403.508 1.194 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1349704053 MFFWKLUMSWFWMC-MRXNPFEDSA-N 423.535 1.531 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H](OCC)C2CCOCC2)c(C#N)cn1CCOC 1356400897 LQDMEHOJOGWCKT-SFHVURJKSA-N 407.467 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1358869213 DAGVXIWDBNQNRS-INIZCTEOSA-N 422.489 1.977 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)COC)c1 1358902524 QQGBRBRREUWQSU-CRAIPNDOSA-N 424.505 1.568 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1358980244 OMUSJCSMRKAEFE-UHFFFAOYSA-N 412.497 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC)[C@@H](C)C1 1359104164 YTIQRYRMTKDOEO-WFXMLNOXSA-N 416.570 1.912 30 10 HDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359205113 MGDSODZJJSZKFJ-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1359208048 DNELWLJDOGRMRY-GJZGRUSLSA-N 408.532 1.288 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1359216183 QOMVYEZGOPTAKK-CQSZACIVSA-N 421.489 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359332062 NUZQASCBMBJXAN-MRXNPFEDSA-N 407.540 1.348 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N(C)Cc2ccccc2)s1 1441866845 OLNYAAIANOKNLP-UHFFFAOYSA-N 421.544 1.530 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)C#CC(C)C)CC2)cc1OCC 1442713189 AXWVENOGQGIQFE-UHFFFAOYSA-N 408.520 1.976 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)C[C@H](OCC)C2(C)C)s1 1448866894 UETZTIBPGKVFJU-KSSFIOAISA-N 416.565 1.437 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2cccc(C(=O)OC)c2C1)c1cc[nH]n1 1452194063 QVKSJKLHFYFEAC-UHFFFAOYSA-N 414.418 1.065 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(N4CCOCC4)C3)C2)C1 1452679319 HFIHCVRDOGXMGA-TZQQIIETSA-N 404.511 1.316 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1468939593 PFJNRCQSZJNTJU-GOSISDBHSA-N 407.536 1.708 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1ccc(CC#N)cc1 1469414444 LVESDPGNJORETO-QGZVFWFLSA-N 400.479 1.885 30 10 HDEE O=C1C[C@H](CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 1470516622 FBWGYMSATSNNAW-XLPZGREQSA-N 409.277 1.935 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)CC2=O)cc1Cl 1471723085 LZIGRXUUWFRLSC-KFWWJZLASA-N 421.906 1.458 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 1471832950 MAMVWALKBSUYHY-CYBMUJFWSA-N 403.426 1.198 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1503890720 HWACIVGWHTVKDD-OAQYLSRUSA-N 423.477 1.183 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C 1504962862 SSRFVXYYWBWLMM-ROUUACIJSA-N 420.558 1.853 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCNC(=O)c2ccco2)cc1 1505316324 HTMCPPWZDAVOIR-UHFFFAOYSA-N 424.486 1.408 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507563313 DZNSKRKOLLQWGI-IPMKNSEASA-N 417.554 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@H]1C 1507643796 RVGVJPSZXHNZGS-UGSOOPFHSA-N 418.295 1.648 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507751139 KHHBDGBPKXRSSS-QZTJIDSGSA-N 407.584 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2COCCO2)C1 1508129633 SGHHPXLZBCXYJG-MANSERQUSA-N 422.526 1.589 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1510283147 TZXYVDSBYGRRNP-KFWWJZLASA-N 414.441 1.565 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1513975068 QVXMTFRRAJMZBQ-IIBYNOLFSA-N 407.478 1.010 30 10 HDEE CCOCc1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1516490092 OCMXEODVTLIAAE-BDIVNLMLSA-N 400.483 1.433 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1516732792 KHCJDHHBHICMNR-GOSISDBHSA-N 409.494 1.894 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)CC2CC2)cn1 1517365595 AQJDOBSRQCEXHK-UHFFFAOYSA-N 403.512 1.243 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1517449778 WUSBTDNNVFJFRF-OAQYLSRUSA-N 400.479 1.488 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCSCCCO 1519436893 OTRNLAIGHXFYQX-RLFYNMQTSA-N 413.519 1.560 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2CCCCO2)CCO1 1521120924 CKOPJYFTYGMCDG-IRXDYDNUSA-N 402.499 1.592 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCc3ncncc3C2)c1 1526860725 SUMSPEDOMPIZMX-GOSISDBHSA-N 404.470 1.455 30 10 HDEE Cn1cnc2cc(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc21 1538096177 BQXYHJSXWKTTDB-QGZVFWFLSA-N 416.441 1.966 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Br 1538766539 WLSBHEMLRDWKCS-BLLLJJGKSA-N 424.276 1.096 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1539123956 HMBJMSUKZXSPPE-UHFFFAOYSA-N 406.534 1.965 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2C)CC1 1539149813 VRBAWCIZYGGYER-INIZCTEOSA-N 401.536 1.998 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1539154831 RRBHXDVNQROQQB-FQEVSTJZSA-N 401.467 1.411 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCN1CC 1539391826 ILLRYOJLMPLLGR-SFHVURJKSA-N 402.543 1.475 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)C1=O 1539963740 CARCHYOJMIQGQF-VGOFRKELSA-N 417.506 1.386 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(F)cc(F)c1 1540862285 XLLDJKLYMONCPN-UHFFFAOYSA-N 418.448 1.731 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540863061 OKNRRLYIQJXTCN-FUHWJXTLSA-N 410.522 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](OC)C(C)(C)C1 1540900971 OVIYXYNWJUYDDV-INIZCTEOSA-N 407.540 1.746 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCO1 1555993381 NNMMBBXJYIBIBM-WDEREUQCSA-N 404.418 1.253 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4cc(C#N)ncn4)C3)[C@@H]2C1 1559264418 FLSIAPUVYOQHEQ-KFWWJZLASA-N 400.439 1.367 30 10 HDEE C#CCN1CCN(C(=O)CN2CCOC[C@@H]2c2ccc(Br)cc2)CC1 1559980224 JCAZGYFLAWZBBC-GOSISDBHSA-N 406.324 1.600 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 1564787005 BXQVQSDJOTXEGB-UHFFFAOYSA-N 407.499 1.765 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C#N 1565327048 MMMZAAKTVVLUJG-UHFFFAOYSA-N 423.498 1.954 30 10 HDEE N#CC1(CC(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)CCOCC1 1566148441 QRXGMXPGHCOQAR-UHFFFAOYSA-N 404.555 1.928 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[C@]1(C#N)CC2CCC1CC2 1569696813 VAGJJXDRVPRPRF-PMTKGXAQSA-N 404.536 1.949 30 10 HDEE CCn1c(CCC(=O)N(CC#N)CCOC)nc2cc(S(=O)(=O)N(C)C)ccc21 1570083439 WOGNOKBOJGZTPJ-UHFFFAOYSA-N 421.523 1.238 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1570300485 PGPYNVWYOLHNEE-KZULUSFZSA-N 414.443 1.089 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCN(CC(F)(F)F)CC1 1570323189 IKCZDFMVORVLGO-UHFFFAOYSA-N 418.441 1.322 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3nc(C#N)c(C#N)[nH]3)CC2)cc1 1570859231 SGKAWYPJIGTJNP-VOTSOKGWSA-N 405.418 1.005 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1587620767 JVVXYBPLYFWXLY-QRQCRPRQSA-N 422.489 1.284 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588053910 IUEMSAJYWYJDSR-UZLBHIALSA-N 418.519 1.673 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1S(=O)(=O)NCC#N 1588776313 YGUSDMKRJMLBIU-NSHDSACASA-N 415.340 1.085 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1589037037 UHAKDNLDYOZGTR-UHFFFAOYSA-N 406.515 1.968 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1593690775 PDNPJQNGHAUTKH-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1594629875 NHAUKBNCQUVGBO-UHFFFAOYSA-N 416.434 1.379 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCOC1 1595094103 NKCPRAXAUXRZIK-JOCHJYFZSA-N 419.489 1.894 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCN(C)C1 1595251064 NTTJBYGIQMDBEH-NRFANRHFSA-N 409.494 1.630 30 10 HDEE C=CCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1595453219 OKISHMYCAATHDJ-OAQYLSRUSA-N 405.543 1.665 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1595537241 OJSKYPQCHPCMKO-HNNXBMFYSA-N 420.876 1.960 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CCC)C2)C1 1595743523 CFIXZGYIUOPCHW-OALUTQOASA-N 416.570 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1595785172 SLQLKXZBADRNEC-AEFFLSMTSA-N 417.535 1.946 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1597332451 NMXTURLXAHFWBW-SJORKVTESA-N 403.435 1.328 30 10 HDEE C[C@H](CC(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1602975133 OZRLOEITAKPOPX-UEKVPHQBSA-N 419.425 1.587 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1611304243 YBNBLGFTCCDIKI-ZDUSSCGKSA-N 402.455 1.286 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1611621149 GQUQWVPLSDQLAY-IAGOWNOFSA-N 414.485 1.781 30 10 HDEE CCC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1614344108 APDQPFPQLANCFN-UXPWSPDFSA-N 407.515 1.599 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OCCOC)CC2)s1 1617120667 PPMUTDBMLWDONO-UHFFFAOYSA-N 402.538 1.409 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)n(C)c1 1617947883 VKIXHDYKJGTUCM-UHFFFAOYSA-N 409.508 1.534 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@H]2CO)CCO1 1620354769 CLWKSQMKHCRPQR-OALUTQOASA-N 411.510 1.306 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1625164956 ASOGVIOJTFKQHU-SFHVURJKSA-N 400.456 1.092 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)C(=O)OC 1626204969 RWGCDOYGNJELTE-LSDHHAIUSA-N 410.471 1.189 30 10 HDEE CN(C)c1nc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cs1 1626588076 FXUFYYCVENSFPI-UHFFFAOYSA-N 421.548 1.387 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1626806993 ADEMGTMLOLUUTG-LSDHHAIUSA-N 404.410 1.756 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1csc(I)n1 1627067737 DRFWWEKIEOAGSH-UHFFFAOYSA-N 420.276 1.436 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1 1630104445 ZPZIKURLEUIPKK-TZMCWYRMSA-N 404.410 1.780 30 10 HDEE C#CC1CCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1630856045 BUXNPWRVXDAOQI-AZUAARDMSA-N 404.532 1.806 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)c1 1631089677 NFFSZHIUEXLLAG-UHFFFAOYSA-N 409.370 1.715 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CCO2)c1 1632183427 KYMHEXUGIPJTCQ-IBGZPJMESA-N 420.400 1.959 30 10 HDEE CCOCCOC[C@@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1634539830 HBVVAYGSOQYAFU-ZBFHGGJFSA-N 409.870 1.095 30 10 HDEE CC(C)n1ncc(C(=O)N2CCN(C(=O)CC#N)CC2)c1I 1635737109 GEHJDVZXXHWSBV-UHFFFAOYSA-N 415.235 1.267 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1636573933 OGCOLOUEXUZGEI-KRWDZBQOSA-N 419.890 1.598 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638339839 CXYOKFFQFGUKHU-JKSUJKDBSA-N 413.540 1.608 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1639240147 AGLIOJIUSLDWQG-YOEHRIQHSA-N 410.923 1.745 30 10 HDEE C#CC[C@]1(C(=O)N2CC(N(CCOC)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1639654357 ZWAQYBYVPKCFAV-JOCHJYFZSA-N 423.554 1.585 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1640898883 JTTNSQBBXGYRME-URVUXULASA-N 419.481 1.960 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC3OCCO3)C(=O)OC)n[nH]2)c1C 1644142022 MRUKSYLSWUNRTF-HNNXBMFYSA-N 403.439 1.110 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1644589617 XKYHWOZXWZXQFX-UHFFFAOYSA-N 423.491 1.453 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)C2)nc1 1645085686 VCFGNYSOEYHQLY-INIZCTEOSA-N 410.478 1.611 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1nc(C#N)cs1 1645702403 CQNMUCDRDXKJNA-OAHLLOKOSA-N 409.512 1.687 30 10 HDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1646403652 ZGVVQFADGHSWHT-GOSISDBHSA-N 415.446 1.745 30 10 HDEE COC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1647866027 FLIKTSNCBVFFLO-LJQANCHMSA-N 417.485 1.355 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc21 1648046243 QMNLZGSBBPYAEJ-HOCLYGCPSA-N 402.476 1.196 30 10 HDEE N#CC1(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1648678400 BFDXVJYJSXNSEM-UHFFFAOYSA-N 408.476 1.448 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2cc(Cl)cc(Cl)c2)CC1 1650846298 QOUBPNCQGCMUFD-UHFFFAOYSA-N 420.318 1.374 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1COC)C(=O)OCC 1656399590 BTEJRFUHXQXVEL-CQSZACIVSA-N 419.883 1.972 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCc3c(OCC(N)=O)cccc32)c1 1658728014 JMJWEIATRKVJAB-UHFFFAOYSA-N 406.442 1.633 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1664764335 HFULQYRZZLDTCA-MRXNPFEDSA-N 414.549 1.568 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F)C(=O)OCC 1664946861 DHRAJTIBXXDZOZ-ZJUUUORDSA-N 409.810 1.864 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1C 1670411050 FDZOOCNIYDCDSP-AWEZNQCLSA-N 403.460 1.920 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CC(NS(C)(=O)=O)C1 1670845781 UKUNNMMEEOOPSO-UHFFFAOYSA-N 404.286 1.779 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1671879395 AHQKUKRFZYJIQL-PMTKGXAQSA-N 402.451 1.617 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3c(F)cccc3Cl)CC2)nn1 1673802704 PXUNQLWBLGWEQZ-UHFFFAOYSA-N 406.849 1.924 30 10 HDEE C=CCn1cc(CNC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCOCC2)nn1 1673807970 XYJSKGAEMMTONO-UHFFFAOYSA-N 408.503 1.679 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1674744007 GCRGHYIFVUESRI-UHFFFAOYSA-N 420.466 1.703 30 10 HDEE C=CCN1CCC(NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 1678390198 GBHXHKIBJHNKMN-CQSZACIVSA-N 408.300 1.657 30 10 HDEE COc1ccc(C[C@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1680964761 KGUQZFSTNHQKMQ-DKICVRJWSA-N 421.519 1.462 30 10 HDEE CN(Cc1ccccc1)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CC1 1681672370 RJLSYUOVOYMWPQ-IRFCIJBXSA-N 416.547 1.477 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1683479601 MHDJGVFSGWFQJY-BQFCYCMXSA-N 421.538 1.942 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1683989365 CXLYXLBNBLMQAY-INIZCTEOSA-N 407.511 1.715 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1686921051 AEIWLVXGAIZCHB-CYBMUJFWSA-N 413.263 1.715 30 10 HDEE O=C(NCC#CCO)N1CC[C@@H](c2cccc(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1687394606 UJIZFDWHORGGHC-GJZGRUSLSA-N 401.360 1.367 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1689881256 KZWRPPBTIJLRGL-GOSISDBHSA-N 419.493 1.439 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1689892476 GOJZYWDACYPRHK-DLBZAZTESA-N 421.567 1.479 30 10 HDEE C#CCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1689941297 LVUGOOGNKVCVIJ-APWZRJJASA-N 410.540 1.355 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@@H]1C 1689978296 ROSJWJYBELPMTF-YUWJWYLASA-N 419.526 1.658 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCCS2(=O)=O)n1 1690107790 CUJVCWPNYWDUBF-GOSISDBHSA-N 420.539 1.037 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690354338 NKOGLLCGPIDKHS-RHSMWYFYSA-N 410.950 1.556 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccnc2)CC1 1690396634 IAKAIVAKXMSZFZ-OAHLLOKOSA-N 404.540 1.928 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690525581 KWNWVPNSPGGWHE-ZWKOTPCHSA-N 404.559 1.737 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCCCO1 1694352309 AAYSPBHODBLJDT-IAGOWNOFSA-N 404.515 1.884 30 10 HDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)cn1 1695784545 WPVQAYHSEUGHKQ-GOSISDBHSA-N 404.478 1.948 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1698084813 AMWPERQCELKWPA-QFBILLFUSA-N 423.521 1.252 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705567111 UFSLNLVQKDBNLN-YLJYHZDGSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1705578080 FSGSWQLHYSDVQE-NRFANRHFSA-N 412.515 1.903 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705685547 CIZDXRXYVCKMKI-OLZOCXBDSA-N 421.361 1.950 30 10 HDEE C=CCCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705808054 YDMPNWGBUDSACG-UHFFFAOYSA-N 421.571 1.750 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)C1 1705922008 DNIFHUXKCZFADY-ZWKOTPCHSA-N 424.505 1.352 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)N(C)C)C1 1705924870 GVSXSSHEEIYIEN-YJBOKZPZSA-N 413.478 1.660 30 10 HDEE CC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1708123007 DZOFQDHOZSPQHY-UHHPSXQGSA-N 400.483 1.545 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCN1CCCO 1709142282 WOAWZJBQUACRJL-IBGZPJMESA-N 424.553 1.281 30 10 HDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1709203338 DLGHBAKQFUUOHU-SIRIWSTISA-N 422.493 1.886 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1711456632 XRHYLSZOODTZCM-HZPDHXFCSA-N 424.461 1.007 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1722341677 LLRDXSXVWZPDEK-UHFFFAOYSA-N 404.478 1.521 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1722374653 ZUEDKWUQPYMMKN-JOCHJYFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1722414071 PPYJRPBKDKUQHW-UHFFFAOYSA-N 424.530 1.680 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OCCOC)CC1 1722437510 DSYVSTKWFIUQGM-UHFFFAOYSA-N 421.505 1.497 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1722504598 GXPDBQLBQHLHGC-RYRKJORJSA-N 411.510 1.679 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1722530574 WUMVHINCBMVJJB-OAQYLSRUSA-N 413.478 1.968 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1722712354 QPWPHRRYPHIRPB-IAGOWNOFSA-N 414.510 1.549 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC[C@H]1CCOC1 1726403693 KNSHNEKOBFNQGM-GOSISDBHSA-N 411.510 1.623 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)CC1 1731186910 URNYHCDQVZTPCG-UHFFFAOYSA-N 405.462 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1740561275 ZUXTXIKMMNTPIZ-WMZOPIPTSA-N 408.506 1.900 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1740565213 NOCMSIHYOFAECC-HDICACEKSA-N 404.559 1.765 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1CC=CCO1 1740601903 MXJJZVYTASJUMH-INIZCTEOSA-N 414.535 1.961 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1740617966 ZOPURKPUHYHCER-DLBZAZTESA-N 407.584 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1NC(=O)CC1(C)C 1740649480 VGAKXTYDYOHJRN-DLBZAZTESA-N 401.511 1.380 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1740793433 IXEYQTFOTBAJMP-UHFFFAOYSA-N 400.483 1.745 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1740799376 KCXIHFQWUIJINL-IKGGRYGDSA-N 407.515 1.262 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2ccco2)C1 1740961466 DJJGZLRDQFURJP-GOSISDBHSA-N 408.462 1.737 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1741983516 CDXBPRUDKPVNJV-BEFAXECRSA-N 400.508 1.905 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nnc(C)s2)n1 1742699510 GKVTVPZZTGDSEI-GOSISDBHSA-N 415.502 1.984 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1747357540 POJNXRAESMAKTJ-UHFFFAOYSA-N 405.462 1.510 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1748724334 AGUMCCFCBAVTBA-GOSISDBHSA-N 400.527 1.557 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1748755265 IHONSWXZZKPCHC-UHFFFAOYSA-N 402.524 1.342 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1OC 1748800153 SECFMUZJEBYWGF-LPHOPBHVSA-N 400.479 1.987 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 1749407212 WYRDNGNGIRBDCL-UHFFFAOYSA-N 424.571 1.229 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)o1 1749731323 BKSGPDYDMHTGHC-HNNXBMFYSA-N 407.496 1.368 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749849133 OBOPQJQSDXNVAM-AEFFLSMTSA-N 410.478 1.338 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1752540690 NZHOMJHPMFBJMK-VXKWHMMOSA-N 424.505 1.606 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1760197154 XGIQBWJMLFTYMU-DENIHFKCSA-N 415.538 1.112 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCO2)CC1 1760256168 FFPQWEXALABYJJ-WIYYLYMNSA-N 403.527 1.255 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1760295132 NTWGCWYRXQRBOR-HNYKXUSYSA-N 410.565 1.083 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1760450664 PKYZQQYXVRCGGR-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760525631 LXYZOVLKVBJQLW-QGZVFWFLSA-N 416.551 1.537 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)n(C)n1 1762397459 GESJGTDEPQFGAV-HNNXBMFYSA-N 404.478 1.574 30 10 HDEE COC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1767878829 IDIRCCTXXAGENQ-UHFFFAOYSA-N 400.439 1.319 30 10 HDEE COC1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768193931 MMUCAZRGHBVNDN-FBMGVBCBSA-N 409.450 1.092 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1769974496 HIFMZSGHRJEDRT-CJNGLKHVSA-N 411.466 1.680 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCn2cncn2)cc1 1770136962 DYDUYISEDISNIO-GOSISDBHSA-N 408.466 1.092 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)Cn1ncn(-c3ccc(Br)cc3)c1=O)CC2 1851143948 YLDDIRPDUBFUCV-CYBMUJFWSA-N 416.279 1.949 30 10 HDEE CC(C)(CN1CCN(c2ccc3nncn3n2)CC1)C(=O)Nc1ccc(CC#N)cc1 1852207157 RBMPGMZDGHAQEB-UHFFFAOYSA-N 418.505 1.977 30 10 HDEE CN1CCN(C)c2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)ccc21 1852684333 WWVKDJDMNPBTTM-UHFFFAOYSA-N 420.517 1.818 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2ccc(F)cc2)CC1 1853415835 LTKFXIDQROXTCC-UHFFFAOYSA-N 424.542 1.779 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2CCCO2)c2ccccc21 1854056555 WKEWLWCTBZYIAF-KRWDZBQOSA-N 411.439 1.806 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(Cc3ncon3)c3ccccc32)CC1=O 1854062101 AIKOQPIBJOGAHQ-LSDHHAIUSA-N 409.446 1.763 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)COc2cccnc2)C1=O)[C@@H]1CCN(C)C1=O 1854262806 MVHMWFUYVRHCFY-ZWKOTPCHSA-N 400.479 1.087 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cncc(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517915 XFPGSPXVLWEWCQ-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE COCc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)n(C)c1 1855258470 WOBJUXKGWBTFGG-HNNXBMFYSA-N 405.432 1.205 30 10 HDEE COc1cc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc(OC)c1OC 1855843426 OPZUBUDOEKHASX-HNNXBMFYSA-N 401.463 1.937 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C1 1856096501 KJGIDJTWONORDT-HOTGVXAUSA-N 404.536 1.780 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CC(C(=O)N4CCCC4)C3)CC2=O)cc1 1856129062 SEAXDLKAYUGLFZ-LJQANCHMSA-N 408.502 1.420 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncc(Cl)cn2)C1)[C@@H]1CCN(C)C1=O 1857081044 SZUIWZAFGWKMNQ-DZGCQCFKSA-N 405.886 1.228 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CCC(S(C)(=O)=O)CC3)C2=O)cc1C#N 1857247267 PYRMABIUWQVTGT-LJQANCHMSA-N 417.531 1.897 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCN(C(=O)Cc4cccs4)CC3)C2=O)c1 1857389908 DCLXENRJPCRWDJ-IBGZPJMESA-N 422.510 1.748 30 10 HDEE Cn1ncc(C#N)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(=O)cc1O 1859656480 KBZRJSFMEDEVHI-UHFFFAOYSA-N 404.308 1.814 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 1864326836 BKJRNNQLGRMNOK-MRXNPFEDSA-N 414.462 1.751 30 10 HDEE Cc1cc2cc(CC(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)ccc2nc1O 1866915856 NCRIJWWJARPWHY-IBGZPJMESA-N 404.426 1.779 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1cccc(OC)c1 1871260765 YUSNBDYIWYDKML-UHFFFAOYSA-N 401.463 1.532 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCCCN(CC)CC)C2)CC1 1872929799 IOJVDDRPDQYRKC-LJQANCHMSA-N 406.571 1.498 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)[nH]n3)CC2)CC1 1890291115 NESQVECCSCMTSO-UHFFFAOYSA-N 411.506 1.542 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 1900468036 VYPHHODSCUUPDS-UHFFFAOYSA-N 415.324 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2010406391 UGFUESYSVMMUSN-ZIAGYGMSSA-N 422.331 1.909 30 10 HDEE COc1cc(C=CC(=O)OCC(=O)NC(=O)NC2CCCC2)ccc1OCC#N 2040416797 DRALTZGFWJOUNH-UHFFFAOYSA-N 401.419 1.922 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N)NC(=O)OC(C)(C)C 2162924080 DQYXYAGXQRSOGZ-QYOLQKOISA-N 416.525 1.840 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 2174788882 KDLFZHRFOLDDKN-GOSISDBHSA-N 401.529 1.752 30 10 HDEE Cc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)N1CC(O)C1 2202848709 IOVOBFCRINFBQH-UHFFFAOYSA-N 402.709 1.281 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244549044 XPESHQCNJSSUMK-CABCVRRESA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247937789 PKIYEECJEAJXSG-QVKFZJNVSA-N 420.315 1.763 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCSC2)OC1(C)C 2267474246 REUIEHPFUSUMQB-LLVKDONJSA-N 404.388 1.615 30 10 HDEE CN(c1ccccc1C#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270504117 ORQVUWVWGRBAQE-INIZCTEOSA-N 417.443 1.704 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCN[C@H](CCO)C3)c2Cl)OC1(C)C 2281934526 NUVONDGXWSCSLL-LLVKDONJSA-N 400.737 1.497 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H](O)C1CC1 2282327806 NZQKZSYZWNPCGI-ZDUSSCGKSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCO)C3CC3)c(Cl)c2)OC1(C)C 2282501391 WOOHQPGMJLVDIE-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@](C)(O)CO3)c(Cl)c2)OC1(C)C 2282501839 CHGWVTTWWLXRBD-MRXNPFEDSA-N 403.693 1.326 30 10 HDEE CCOC(=O)[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503012 SOKSZZDJYHQCLW-NSHDSACASA-N 403.331 1.418 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CC[C@H]3O)ccc2Cl)OC1(C)C 2282506072 MVPHFQBWOJUIOX-IAQYHMDHSA-N 401.721 1.688 30 10 HDEE CSCCCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282511354 LNLQKTDQLOUIKW-UHFFFAOYSA-N 403.379 1.449 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282603991 NKSQSHRZPLDFRB-QDXKXIGTSA-N 400.375 1.965 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840353 MUZDDVIPCUOIIA-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CCC(CN)CC2)OC1(C)C 2282866012 BYCQFJNDNXAFNK-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE CCN[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282867239 VVUYGZMMAHIIQA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE COc1cc(C=Nn2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc([N+](=O)[O-])c1O 2322038214 MKRDIOOAQZXMOF-NSHDSACASA-N 420.451 1.796 30 10 HDEE CCCN[C@H](C#CP(C)(C)=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351771135 JOGCYDLQMWQVHD-CQSZACIVSA-N 406.485 1.972 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@]3(C)CNCC3(F)F)c2)OC1(C)C 2361532085 FZMPPRORKXCFAP-AWEZNQCLSA-N 408.301 1.323 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245598 ZMWBNMYHJHXJCE-UONOGXRCSA-N 405.513 1.834 30 10 HDEE N#Cc1cccc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 16131070 OZIGCQYOCCRPDA-UHFFFAOYSA-N 423.472 1.086 30 10 HDEE Cc1cccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72443888 KHHCFNXAORLFCT-LSDHHAIUSA-N 406.446 1.004 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2cc(-c3ccccc3)on2)CC1 109913198 VBCQPRMPQNDOFZ-UHFFFAOYSA-N 416.441 1.687 30 10 HDEE CN1CCC(NC(=O)c2csc(I)c2)(/C(N)=N/O)CC1 124451377 IEKMIBIQAVZAMV-UHFFFAOYSA-N 408.265 1.293 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)cn1 301189536 VMHBTXPYQFQGCV-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)C1=O 410177754 HEAXKSGOVZYZEQ-HNNXBMFYSA-N 422.441 1.852 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 410207950 XRHYLPSNKFAQSP-MSOLQXFVSA-N 419.551 1.498 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCCN(c2ccccc2)C1=O 443133380 MYAYLQXAVXINLU-HNNXBMFYSA-N 400.416 1.940 30 10 HDEE CN1C[C@@H](Nc2cc(C#N)c([N+](=O)[O-])c(N[C@H]3CCC(=O)N(C)C3)c2)CCC1=O 462876390 VYGFHVHBTJHIFS-KBPBESRZSA-N 400.439 1.532 30 10 HDEE N#CC1(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CCN(Cc2ccccc2)CC1 469818446 IADILAPYZKWYGC-UHFFFAOYSA-N 418.501 1.306 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c1 478425006 GVKNRVUGUDEGLV-HXUWFJFHSA-N 407.474 1.898 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ncccc1S(C)(=O)=O 489618767 LJDKKZDWCSLZAO-UHFFFAOYSA-N 412.475 1.265 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3ccnc(O)c3C2)CC1 494138103 WYBCTGMULYOKHW-HXUWFJFHSA-N 409.465 1.693 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NC(=O)[C@H]3Cc4ccccc4O3)c2)CC1 503646386 ZCADUGBSYUXEMV-HXUWFJFHSA-N 418.453 1.827 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 504433146 FKJJRLURTDABKT-INIZCTEOSA-N 410.478 1.853 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 508478331 QROHTAXYIXZJEC-OAHLLOKOSA-N 419.507 1.381 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CC=C)CC1 508846518 RPZPNZIOJAODHO-LJQANCHMSA-N 408.506 1.565 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 511173467 QLAQCTWEFYGYFO-INIZCTEOSA-N 416.497 1.414 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 511379935 FYGATVQLSITXRY-GFCCVEGCSA-N 401.920 1.589 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 513224084 PZCAQNIHYVULDF-LBPRGKRZSA-N 414.300 1.814 30 10 HDEE Cc1csc([C@H](C)NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 521924193 IOJCWCQSBVACCO-BBRMVZONSA-N 411.487 1.812 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@H](C)O3)CC1 522969396 LPKPWWMOFJEICV-ZDUSSCGKSA-N 413.927 1.272 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 540531752 KFENTDLUOKPLQS-IMFGXOCKSA-N 406.504 1.814 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCN(c2cccc(C#N)n2)CC1 546917388 STXSKRMUAHGPNI-HNNXBMFYSA-N 413.503 1.506 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(Cc3nc(C#N)cs3)CC2)c([N+](=O)[O-])c1 562199504 KRNFFQOVVGTLRS-UHFFFAOYSA-N 407.477 1.649 30 10 HDEE CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 583522147 SGXGNBKRTHRBAI-UHFFFAOYSA-N 413.503 1.556 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c(F)c1 586863805 AUQQZSLTRFQKRD-QGZVFWFLSA-N 414.824 1.889 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)cc1S(=O)(=O)NCC#N 609412314 PRKGSNVHODPXSR-AWEZNQCLSA-N 416.507 1.606 30 10 HDEE CCc1nn(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(=O)c(C#N)c1CC 609499091 JUFHOEMULHGAQT-UHFFFAOYSA-N 421.501 1.661 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 609936558 MAYXRTMGPCKNLU-UHFFFAOYSA-N 417.466 1.373 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1)[C@@H]1CCS(=O)(=O)C1 729334315 MDRCMIQQKKZQDB-QZTJIDSGSA-N 402.516 1.614 30 10 HDEE Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1S(=O)(=O)NCC#N 731185040 BFUDUFYCWMCPMR-UHFFFAOYSA-N 422.413 1.444 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 731732381 TUMVCXCVYLPDEK-UHFFFAOYSA-N 405.476 1.999 30 10 HDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732698856 LKAWNHSSIHZGIE-KRWDZBQOSA-N 413.478 1.372 30 10 HDEE C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706958 SHJOZFXLNWOMMJ-JXFKEZNVSA-N 423.517 1.838 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CCN1C1CC1 733261187 OFGFKLRUFLKFIV-LEWJYISDSA-N 403.486 1.621 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 733672746 BJZJYXFLLMSSPM-UHFFFAOYSA-N 418.497 1.656 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)cn1 734599720 OBLOCAZTSFZJAV-UHFFFAOYSA-N 417.219 1.627 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C#N)cc2C)cc1 747928601 IMROZVLNBOCKJM-UHFFFAOYSA-N 400.456 1.885 30 10 HDEE COCCOc1cc2c(cc1C=NNS(=O)(=O)c1ccccc1[N+](=O)[O-])OCO2 748254999 JWSWSHLBYYMZSU-UHFFFAOYSA-N 423.403 1.661 30 10 HDEE C[C@@]1(c2cccnc2Cl)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 753918193 YCSPANBFDYDYNG-SFHVURJKSA-N 418.862 1.848 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(C(=O)N=c2cc[nH]cc2)c1 754275501 DOKQSRLAEFXSTO-LSDHQDQOSA-N 419.441 1.289 30 10 HDEE Cc1ccc(N2C(=O)C(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)c(C)c1 760553829 ZSXHOPMYZAJEGA-UHFFFAOYSA-N 418.457 1.645 30 10 HDEE C#CCN(C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 764869496 AELVYULTQPHFFT-CVEARBPZSA-N 410.536 1.673 30 10 HDEE C[C@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 769866945 XGZUFJMQCGINLY-VDMFXUGISA-N 400.526 1.640 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)c1 784692887 PBDGXULGFILDOJ-CQSZACIVSA-N 401.492 1.530 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NCC)cc2)n1 788815034 UDVTXWWCYQTOFR-UHFFFAOYSA-N 404.492 1.103 30 10 HDEE Cn1nc(CC(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)c2ccccc2c1=O 791972338 LKWNGKPPXMPUHV-INIZCTEOSA-N 403.442 1.955 30 10 HDEE CCO[C@@H]1C[C@]2(NC(=O)N([C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)C1(C)C 794796172 SSRSULARSSDBGS-LKWXMQFFSA-N 406.483 1.871 30 10 HDEE C=CCN1CC[C@@H](OC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)C1=O 798586920 SNMLBPBJWRCHPZ-HUUCEWRRSA-N 411.480 1.022 30 10 HDEE C[C@H](OCC(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccn1C 805864335 STBJLIWXBFIMDA-JTQLQIEISA-N 416.381 1.893 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 809893269 LKMAUUNYMULZQF-HUUCEWRRSA-N 420.514 1.474 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)N3CCO[C@H](C#N)C3)CC2)CC1 813239622 TZFZGVGAPSJIJS-DAWZGUTISA-N 421.542 1.784 30 10 HDEE COC(=O)c1nc(Br)ccc1OS(=O)(=O)c1cnc(C)c(C#N)c1 813708477 NRARDPKVKMJFPJ-UHFFFAOYSA-N 412.221 1.974 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)n1 856589032 JQXWSNBUCHEMMF-LJQANCHMSA-N 404.492 1.597 30 10 HDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3ccco3)n2)cc1 1083973889 APSOBOIQJWHQQX-UHFFFAOYSA-N 421.464 1.222 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)nn1 1129930696 PCVWFDBTRQUYGR-HNNXBMFYSA-N 405.405 1.987 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 1135982043 DFJKXUIRMCNRGQ-LJQANCHMSA-N 416.478 1.834 30 10 HDEE C#CC[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1141998399 NUGGIECGIOQWFE-ROUUACIJSA-N 417.506 1.693 30 10 HDEE C#CCOc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 1154678573 HMKMIANTMYXNHD-JOCHJYFZSA-N 405.498 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)CC1 1158083806 GPAQBVBPLJGEFD-IRXDYDNUSA-N 410.536 1.815 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)C2 1158224331 PFJFIJKCDRBZIJ-YOEHRIQHSA-N 411.405 1.898 30 10 HDEE COc1cc(OC)c(C[C@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 1158413765 ZFFQVBUQGXDYAT-YTFCJFBXSA-N 417.462 1.676 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(CC(=O)NCCC)cs2)cc1 1174886926 TZUXZQZNEYYEID-UHFFFAOYSA-N 420.516 1.376 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(C3CCCC3)c2CCC)CC1 1175514743 GPXCPKCBBZQFLX-UHFFFAOYSA-N 407.540 1.176 30 10 HDEE Cc1nc([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)no1 1176098276 XZUIPNCBIVOABE-HOTGVXAUSA-N 400.508 1.638 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)[C@H]1CCS(=O)(=O)C1 1256219211 WUUWFWQCOGHFCK-YOEHRIQHSA-N 422.457 1.620 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286378166 NPSMSMAGOQXWDI-FQEVSTJZSA-N 418.519 1.093 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1286378167 NPSMSMAGOQXWDI-HXUWFJFHSA-N 418.519 1.093 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1286386358 YWFXLOVFEDOVLL-KRWDZBQOSA-N 409.600 1.934 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1286484901 ZYZUADUWZDSWTG-UHFFFAOYSA-N 423.496 1.842 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286489968 IROUESQIOOGHQE-MJGOQNOKSA-N 422.533 1.857 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556155 OGBVIRLEAOTOSZ-UYAOXDASSA-N 416.570 1.783 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286601614 NGTAFVJTEFKPAR-FHWLQOOXSA-N 405.543 1.737 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286621660 HDZDNGQRUDQKFM-ZFWWWQNUSA-N 412.922 1.795 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCCC1 1286786909 LUBPOAXZUIEEMW-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)COC1 1294436406 OGCXHKMHISAGTO-AWEZNQCLSA-N 424.498 1.642 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 1297761212 VOLWDKNOIOMFNL-AWEZNQCLSA-N 413.471 1.979 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC)C1 1300347611 CIBZHRUXBUCCTQ-IBGZPJMESA-N 422.493 1.576 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CSC1 1300607136 ACQMIEGHPWJDCP-GASCZTMLSA-N 408.545 1.675 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1300698667 XPMZORHYSZDOGQ-UHFFFAOYSA-N 408.550 1.899 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1OC 1300939116 HEMRDTNCFVJOIO-WEVVVXLNSA-N 406.504 1.910 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCS2(=O)=O)CC1 1301128891 CLJJCNCEHQPUQV-UHFFFAOYSA-N 416.551 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301490936 IUMZHPNGUNZKOM-QGZVFWFLSA-N 420.473 1.919 30 10 HDEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301529931 ODZAHNDGLVRXES-QGZVFWFLSA-N 424.505 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](OC)C1 1301576939 ISPNYHXWNLELLO-QGZVFWFLSA-N 406.508 1.780 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1301985728 BQMOHVNFWWHRQU-GJZGRUSLSA-N 417.535 1.990 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1302585180 GSKIFBUMFWGDAC-UHFFFAOYSA-N 405.455 1.238 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1=O 1303182916 GVXBDPPLPWVVAN-UHFFFAOYSA-N 419.493 1.298 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1303454960 WALRBZLONUJHBO-NRFANRHFSA-N 418.542 1.973 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1303758374 ALAPDQOZTDBRRY-KRWDZBQOSA-N 410.526 1.833 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1305176553 SPSWOPKBLYNCNL-WSQOEDGESA-N 414.510 1.791 30 10 HDEE CC(C)C(=O)N1CCCC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892798 MTSYFGKNDAOKJV-KRWDZBQOSA-N 401.463 1.928 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 1307650626 UPQBAMBDMAKKQO-QGZVFWFLSA-N 414.572 1.109 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(O)(c2ncnn2C)CC1 1308047511 KXJKNZFJTQAKRB-MRXNPFEDSA-N 412.494 1.442 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1309391801 DCJFVPRQXZVXIM-UHFFFAOYSA-N 411.443 1.619 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(CNC(=O)CC)c1 1309889079 HDUAOVKAEGIIGH-UHFFFAOYSA-N 407.536 1.440 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)C(C)C 1311389124 VJURWIJVVXHREL-IBGZPJMESA-N 407.559 1.065 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1F 1314661487 NSULVKVTHQVAEF-JKSUJKDBSA-N 400.458 1.764 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2NS(C)(=O)=O)n1 1326724734 KMWFHRZRZRGEET-UHFFFAOYSA-N 419.507 1.246 30 10 HDEE C[C@H](C(=O)Nc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1)n1cccn1 1339495361 FKHSOXVMPZZQAX-DIGCTUSJSA-N 422.445 1.938 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)c1 1351842410 RGMXSNHTTGHZQM-UHFFFAOYSA-N 407.348 1.832 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358880051 DBMPLJCCVKMDAM-OAHLLOKOSA-N 418.519 1.351 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCn1cc(Br)cn1 1358951245 OPXKOWCJQGMBRA-UHFFFAOYSA-N 400.284 1.993 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCS(C)(=O)=O 1358987916 XDVWKRIWCHZVFU-UHFFFAOYSA-N 400.504 1.851 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)COC)C1 1359321647 JSLIGUFQJHIJQY-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1360338829 KZVQTDXOBGCZAJ-PMACEKPBSA-N 417.489 1.737 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2cccc(C#N)c2Br)C(=O)N1c1cnn(C)c1 1361060509 YIBIPJNOCSVIJS-YGRLFVJLSA-N 402.252 1.978 30 10 HDEE CCC(C#N)(CC)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1440643342 CUHSIHOSYMTUGM-UHFFFAOYSA-N 409.508 1.867 30 10 HDEE C#CCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1442056394 ZTVIBBPVNARVEN-LSDHHAIUSA-N 418.581 1.672 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2 1445634289 VTFHCMYNQSDUGD-ZIAGYGMSSA-N 406.487 1.443 30 10 HDEE CCC[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1448557902 ULDMXAIDQKUSOP-WBVHZDCISA-N 414.462 1.859 30 10 HDEE C=C(CO)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1448971768 SPJVOULBJIPWAV-CYBMUJFWSA-N 403.298 1.267 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(C(=O)NCCN(C(C)C)C(C)C)CC1 1452159853 CICQMKFSMPRRLE-HXUWFJFHSA-N 408.587 1.931 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1456283284 AGLDOGFTLANDKT-JKSUJKDBSA-N 423.510 1.326 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1456474118 HECCYHGCAAVDFL-USXIJHARSA-N 423.560 1.688 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2[C@@H]3c4cccc(Cl)c4C[C@H]32)c1 1457976434 YLJDIYHURGJAHP-ATZDWAIDSA-N 401.875 1.944 30 10 HDEE CCOC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1462801637 BPMNXUCVHWOUGL-GFCCVEGCSA-N 419.322 1.990 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 1464588971 GYWOVEIGNXIOIM-UHFFFAOYSA-N 400.522 1.219 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)s1 1466799114 PFOHITNDTSEROF-LSDHHAIUSA-N 412.533 1.352 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1468580808 VNAMAOYIXPTDCM-TZMCWYRMSA-N 418.441 1.956 30 10 HDEE CCOC(=O)C(C)(C)ONC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1469541783 VFRGAXXNZGFKHZ-AWEZNQCLSA-N 402.407 1.153 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 1469729425 MJQZEAFBENNIHI-AEJSXWLSSA-N 416.347 1.603 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)c1C#N 1471297283 QBEKONJRTVFXQI-ZFWWWQNUSA-N 414.432 1.932 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1471823115 MTDPKZQAHUNOCO-GOSISDBHSA-N 424.519 1.300 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850604 PFBXLDWPUVQVQY-ZRGWGRIASA-N 418.544 1.890 30 10 HDEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC2)n1 1475792618 IDVNJHDHBWUDOA-ZDUSSCGKSA-N 415.541 1.168 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1 1476347357 XBQGGCQCXBHYEY-KRWDZBQOSA-N 416.503 1.977 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)C1CCOCC1 1479007704 MTKOJIOVVPDMAV-FQEVSTJZSA-N 412.534 1.998 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1479597503 PXROMKIUUJQOIA-DXIQSLLYSA-N 424.526 1.988 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 1505315916 UGDYHEKZXPHKSU-YOEHRIQHSA-N 409.512 1.926 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2COCCO2)CCO1 1505323843 ZBRGBWNWQHJFFA-LSDHHAIUSA-N 419.432 1.681 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1505327333 YCMFSHSSNMZVQD-KRWDZBQOSA-N 416.526 1.584 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507594185 ZMYIOAJXYYXXMP-NRFANRHFSA-N 400.527 1.115 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507631644 ROWOXEOXAHRPSH-DOTOQJQBSA-N 416.551 1.383 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1507651473 AZTJMVWNSQINRX-QGZVFWFLSA-N 405.458 1.316 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1507736804 SJWQTXZFZIFNMM-UHFFFAOYSA-N 415.457 1.819 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1508088022 RBAXIKSUBDVHNJ-VGOFRKELSA-N 424.505 1.283 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099452 XSAIABSXSGTZKE-RTWAWAEBSA-N 421.542 1.626 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1517564437 YNXCGPOEGWYHJJ-NRFANRHFSA-N 412.494 1.585 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)C[C@H]1O 1517688788 JOTCNEDATMDCCU-CGTJXYLNSA-N 411.462 1.213 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1F 1520679368 MPJPANCYBLZBGZ-PBHICJAKSA-N 421.498 1.672 30 10 HDEE N#CC1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1521120944 DFUDPDTUHKOMIZ-UHFFFAOYSA-N 419.511 1.078 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21)[C@@H]1CCS(=O)(=O)C1 1528599955 MDTDBHOIYGJRRX-MWQQHZPXSA-N 408.317 1.984 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1531945425 JGZLNJQSLOGYKI-SFHVURJKSA-N 419.503 1.583 30 10 HDEE CN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 1534019613 GHCSVLMQWQQXSX-LLVKDONJSA-N 416.297 1.192 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2snc(C)c2C#N)c1 1538166015 BRMQZMWDNAOEFT-UHFFFAOYSA-N 409.493 1.154 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1539025219 GNAMFLOONXEMNG-HNNXBMFYSA-N 416.526 1.725 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1539223172 ZIYOCCDJBMTLFI-MRXNPFEDSA-N 421.523 1.015 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1539266168 MUNDPRWSQVIYTL-MRXNPFEDSA-N 412.471 1.030 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539278453 CVWHOZQQWNIIEH-QGZVFWFLSA-N 408.510 1.388 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC(F)(F)C1 1539416468 ONJKLHKPRDXAMH-CABCVRRESA-N 416.494 1.702 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1539428396 QWIFZINOTKTPLO-UHFFFAOYSA-N 402.543 1.809 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCOCCS(C)(=O)=O)C1 1541991934 PRWPNLMROHDSCW-QAPCUYQASA-N 411.528 1.321 30 10 HDEE C#Cc1ccc([C@H](OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(F)(F)F)cc1 1544656216 RGGGYUJOHGWVOJ-HNNXBMFYSA-N 420.347 1.262 30 10 HDEE C[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1544785226 CMJHKDOIYWUNQL-AWEZNQCLSA-N 415.881 1.769 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1554531755 PCMFCABMEXAIQE-KRWDZBQOSA-N 415.519 1.932 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)CCOC1 1554714127 AOXTWSIUBRIMQA-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1555716935 XEAMUVQUUDGYRC-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCC2)nnc1N1CCC(CO)CC1 1556022703 LWWPGDYTANZXEF-ZPHPHTNESA-N 400.483 1.281 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1558707431 PFSJRDMCTZPCII-AQZMIJIOSA-N 421.494 1.564 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1c(C)cc(C)cc1C)CC(=O)OC(C)(C)C 1559976009 FZAKMIUOQFCJMB-UHFFFAOYSA-N 401.507 1.943 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]([C@H]3CCOC3)C(F)(F)F)CC2)o1 1560199460 ULAJRNSZGCPUPS-SWLSCSKDSA-N 401.389 1.060 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 1561564958 FGGBBDVHHAEXBT-JSGCOSHPSA-N 408.423 1.917 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1NC(=O)C(F)(F)F 1561957124 PWVOHWOZVPPGMZ-UHFFFAOYSA-N 403.426 1.906 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)cc1 1563586272 IMYXAOJZFLYPCS-UHFFFAOYSA-N 401.488 1.948 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CN3CCN(C)CC3)CC2)c1 1565603434 QVNVHEAXLQTCLM-UHFFFAOYSA-N 417.575 1.583 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc(SC)s2)s1 1567776850 ABYRETRYADHAKS-UHFFFAOYSA-N 404.564 1.645 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NCc1ccnc(C#N)c1)CC2 1568545742 DJWCIGHBAIYRDB-UHFFFAOYSA-N 408.458 1.952 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1583818205 YHOWSEQEVWBSLT-QZTJIDSGSA-N 402.495 1.601 30 10 HDEE Cc1ccc(C(=O)NCCCN2CCC(O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1586796120 WCLGVBQDYRAPHO-UHFFFAOYSA-N 402.344 1.871 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 1587014734 YUZUUXFGQIZROT-AWEZNQCLSA-N 415.397 1.608 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1587620491 GGNPANCWUPFNAG-CQSZACIVSA-N 402.462 1.432 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CC(C(=O)OC)=NO2)C1 1587623629 FDJFEGCHPSOYCP-KPZWWZAWSA-N 415.874 1.943 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588073817 FHIMMZXFTJXCFG-YZLZLFLDSA-N 424.567 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC1(N2CCOCC2)CC(OCC)C1 1588120158 IJMWVLBNIJCLQY-UHFFFAOYSA-N 422.533 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CN(C2CC2)C1=O 1588155048 MEQLOZWZHJILSY-NRFANRHFSA-N 408.531 1.718 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC2CCN(CCN(C)C)CC2)CC1 1588806526 UKIKCRWKNBJSBS-UHFFFAOYSA-N 413.614 1.574 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1589047613 CEPVWZVMTCXAJV-UHFFFAOYSA-N 400.508 1.002 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1593696339 NSMOEZMHHKYELL-FQEVSTJZSA-N 413.482 1.220 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1594679343 CZZUMODVTZIISV-CQSZACIVSA-N 414.532 1.133 30 10 HDEE N#Cc1cc(NC(=O)c2ccn(CCn3cccn3)n2)ccc1N1CCC(O)CC1 1595912926 CEUSFUWCZKIBQV-UHFFFAOYSA-N 405.462 1.865 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2=CS(=O)(=O)CCC2)cc1 1596420122 LHNUGBWWKBPHCY-MNDPQUGUSA-N 411.505 1.530 30 10 HDEE Cc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)NCC#N 1598208905 UQINDNWMEHIKCA-UHFFFAOYSA-N 403.460 1.275 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(CCc3ccccc3)C2)CC1 1615208672 DPQDPOZBDDPZQJ-JOCHJYFZSA-N 410.562 1.225 30 10 HDEE CN(c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1617741891 KWASIHXSJSRDCQ-LTRYHMRKSA-N 413.507 1.741 30 10 HDEE COC[C@H](Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619605256 ZFZQHDLTJXDIAL-INIZCTEOSA-N 400.483 1.673 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1619844702 ZQRWWMDRIHHTLM-UHFFFAOYSA-N 423.477 1.374 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620075919 SDPUMMZHCDXZMN-FQEVSTJZSA-N 421.505 1.656 30 10 HDEE N#Cc1cccc(C2(NCCC(=O)N3CCN(c4ncccn4)CC3)CCOCC2)c1 1620430005 KBZFFGGMUMLBJQ-UHFFFAOYSA-N 420.517 1.682 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ncc(C#N)cc2Cl)c1 1622968613 ALEJUVFPDAANSO-UHFFFAOYSA-N 423.882 1.825 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC1(C#N)CCSCC1 1623151505 KOZBFOGUIBYVPL-OAHLLOKOSA-N 412.556 1.948 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 1624478878 QIMDERWCSARAAI-HNNXBMFYSA-N 407.536 1.905 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1625173073 VRTDKXZHIDNFCL-NSHDSACASA-N 422.283 1.419 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1628636827 BCCZAYWOTQIAQY-INIZCTEOSA-N 413.478 1.247 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)c(=O)nc1O 1629597199 GDNDTYJCZIKDGW-CYBMUJFWSA-N 414.384 1.418 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1 1630095147 VJKWFMHUMDJVJP-ZDUSSCGKSA-N 405.398 1.672 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)N1C(=O)NC2(CCCC2)C1=O 1631330981 PCTWWIXXMDLOGC-QAPCUYQASA-N 409.490 1.848 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1633190947 QWXXHHFXHOMVJJ-KKSFZXQISA-N 424.542 1.306 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)c1 1633771889 XTMONJYVSQCMPP-AWEZNQCLSA-N 403.464 1.128 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1634240345 ILSYWQMSTCOQCN-UHFFFAOYSA-N 413.522 1.771 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(O)c2ncccc12 1635457553 AHRJGVFWKDEOPP-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1638164861 PICZGKJNPHGTAA-IAGOWNOFSA-N 416.588 1.660 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1638803805 MZFKLZDQWKWAFT-INIZCTEOSA-N 406.490 1.757 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2nc(C#N)cs2)C1 1639619606 UGWVRSJQRSIMGQ-LBPRGKRZSA-N 414.509 1.055 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1639969300 ZRRCYSJFTQQFEP-OAQYLSRUSA-N 421.494 1.946 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](CCCN(C)C)C2)ccc1F 1641356581 PVRGXKWKXZPDNF-MRXNPFEDSA-N 413.515 1.473 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)/C=C\c1ccccc1C#N 1641580570 YJFPXMXZGVZNGS-HEDKFQSOSA-N 401.463 1.686 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@@H](O)c3cc(F)ccc3F)CC2)C1=O 1642474503 JKIBZPMAQOBLCV-QGZVFWFLSA-N 421.400 1.214 30 10 HDEE C#CCN(C(=O)CCCN1C(=O)CCC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1649383924 XMGUSCCJNANBMO-UHFFFAOYSA-N 405.495 1.777 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)(F)F 1650765895 MJRNQWOXDWPWGS-ZDUSSCGKSA-N 417.409 1.631 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1650972001 FEDOYWBHFPCNIQ-KBPBESRZSA-N 414.480 1.053 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(NS(N)(=O)=O)CC1 1654469464 ZQXRLMOBHNKYSP-ZDUSSCGKSA-N 411.553 1.134 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1659728940 XOEOVPGFGBICOT-AWEZNQCLSA-N 413.883 1.202 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(CNC(=O)c3ccccn3)CC2)c(F)c1 1662482045 APGWOMNQYUXQQF-UHFFFAOYSA-N 402.451 1.923 30 10 HDEE C=CCn1cc(CNC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1666380492 LAFBPLGQWFNIFS-UHFFFAOYSA-N 418.523 1.425 30 10 HDEE COc1cc(NC(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)c(F)cc1C#N 1673761788 BIVDHDANNSQWGX-GOOCMWNKSA-N 403.458 1.911 30 10 HDEE C#C[C@H](NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1)c1ccc(Br)cc1 1674025260 BLSNOWPMWMGFSP-GJZGRUSLSA-N 419.279 1.801 30 10 HDEE C#C[C@H](C)NC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682344944 PJWSMRZUBKJIGT-XIRDDKMYSA-N 419.526 1.585 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)C1 1687593629 VMELUHXXGAPNDO-NVXWUHKLSA-N 424.423 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CC(=O)N1CCOCC1 1689957078 PQNRAAJVUOPHPW-UHFFFAOYSA-N 418.295 1.636 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1Cc1cn(C2COC2)nn1 1690025113 FQXGUAKMWUPFAK-UHFFFAOYSA-N 417.473 1.449 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690126205 VSPNQJPJFGTCPB-KRWDZBQOSA-N 402.543 1.995 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690320686 ZTYCEKIZFHJSJK-UWJYYQICSA-N 421.542 1.613 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690508468 JRPYSPLEWKOPEI-SFHVURJKSA-N 405.543 1.897 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690665524 HAQYMQZVWCITHZ-CVEARBPZSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(OCC2CC2)CC1 1690674253 UPCUESFFYJXMCK-UHFFFAOYSA-N 410.522 1.962 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1690700846 YQCHRUHOJRZYEV-RBUKOAKNSA-N 418.586 1.589 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1690746923 NWRSGPLIJPGPRS-CABCVRRESA-N 415.585 1.376 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O 1691015753 FXDFALDRMHZWAC-KBPBESRZSA-N 405.524 1.845 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1693559152 OXSWDBUIJYATLR-VQIMIIECSA-N 411.485 1.246 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC(=O)N1C 1693784479 KSHXJAJXUJRKMN-QAPCUYQASA-N 410.478 1.289 30 10 HDEE CCc1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)cs1 1694601055 JLGPQIVMGDODRI-CQSZACIVSA-N 403.512 1.663 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1694781299 PQOUIBCWOFLQNG-HRAATJIYSA-N 407.478 1.010 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1705493272 FVIIJGPLUQPYDJ-CABCVRRESA-N 404.515 1.992 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1OC 1705627983 UPYACTYPAHJYCQ-MRXNPFEDSA-N 401.442 1.511 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1705693755 KDZGBEMRMKAGSV-INMHGKMJSA-N 404.515 1.064 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)[C@@H]1CC 1705698852 ZIEUCRUGPKGJDX-BDXSIMOUSA-N 421.542 1.698 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCC(=O)N1 1705909356 UUJQKYHMIUOXRV-VXGBXAGGSA-N 406.397 1.052 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1705928228 OGFDUMJXCVNFML-HZPDHXFCSA-N 423.583 1.890 30 10 HDEE CCc1nnc(N2CC[C@H](OCC(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709096836 AOIPTVSQGFSCAL-MJWGMMHASA-N 402.499 1.618 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1709153426 GVLYFOWTSSSOGJ-KGLIPLIRSA-N 402.421 1.222 30 10 HDEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1712231417 ZZWJNPRYPURPHN-FQEVSTJZSA-N 413.482 1.713 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1 1712710839 SESAIGGEBWUTOE-UHFFFAOYSA-N 406.487 1.763 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1722291335 IWXMDTCMHHOSDH-APWZRJJASA-N 403.490 1.980 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NCC=C)CC1 1722441359 QJXAKMYDTJKSRE-UHFFFAOYSA-N 422.533 1.531 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)Oc2ccccc2)CC1 1722442398 ZKGXJMQOMKDVQV-LJQANCHMSA-N 422.533 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1722446773 BFRHBYAOGOCBAI-HTAPYJJXSA-N 401.555 1.994 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N(C)C 1722447427 NATWIPJVLDFNML-HOTGVXAUSA-N 400.483 1.211 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1 1722455566 UZRJLZHJQSPVIG-UHFFFAOYSA-N 413.503 1.361 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)CC1 1722577826 RLMVTFJBPMHWMY-GOSISDBHSA-N 402.543 1.478 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC(N)=O)CC1 1722592494 YXQIKIMTSPJSAN-OAHLLOKOSA-N 404.515 1.302 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1722593215 KEWXQTUMZCTKCW-IERDGZPVSA-N 418.542 1.746 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1722631010 AFPBGBNBIYZOAX-ZDUSSCGKSA-N 416.548 1.377 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1722640904 URFXTPIGUNLLKQ-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1722661924 AODZGVGECYCJEV-YWZLYKJASA-N 414.535 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@@H](C)[C@H]1C 1722724749 FAHAPBHMIABMFR-KGLIPLIRSA-N 415.585 1.347 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1724010590 RAKMJRVPCJBBLI-CQSZACIVSA-N 414.491 1.823 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)C1 1731183051 QSXWMAPMULOVNJ-IBGZPJMESA-N 418.498 1.621 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1740534490 ZENIMZGCRDBCLP-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740579532 PVTIFLSAQRCLAE-GOSISDBHSA-N 416.526 1.507 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCN(C)C1 1740658925 RKTLOKHCDLBIEP-QHCPKHFHSA-N 407.518 1.695 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@](C)=O)CC1 1740726344 YHTIPTABSPAGEY-BSSDTTEXSA-N 406.552 1.833 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740795223 QCVIWSRFKYIORN-SFHVURJKSA-N 403.527 1.823 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740863590 BFGUNCGICJOXKN-RDJZCZTQSA-N 409.556 1.594 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1740957149 CMIBYTIZCPGTEC-UHFFFAOYSA-N 413.482 1.159 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1741132309 HCAPZUDZWTYTEK-BTYIYWSLSA-N 406.494 1.591 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1748671838 NFVLOCOTUNGPQM-RHSMWYFYSA-N 415.519 1.046 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1748685189 VNAMDSTUTTXYIO-INIZCTEOSA-N 415.519 1.332 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnn(CCOC)c1 1748788764 DPDIRBBTUGKSLH-IBGZPJMESA-N 408.462 1.751 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC[S@@](=O)CC 1748840970 OAFYTYJVOFLJNH-LJAQVGFWSA-N 406.515 1.972 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1748841961 CJFCNCRKQIFLTR-OYHNWAKOSA-N 418.457 1.207 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1749165552 IYGZPEFLQYDSOL-UHFFFAOYSA-N 417.602 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](C)(C(=O)NC)C1 1749666660 PFVJPZUTMUTWLG-QFIPXVFZSA-N 421.505 1.691 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681806 JUKYDJADJTVHAK-UZLBHIALSA-N 407.515 1.236 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1750047367 GNXBHMSMPVTTAB-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1751646604 FISPXCNQYVHNHZ-NHCUHLMSSA-N 414.485 1.674 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1760095969 CWXPGOAGHXMGOP-INIZCTEOSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760171741 HJJJAVNYVNIGTF-PGFLUOATSA-N 417.554 1.511 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccn(CC)c1=O 1760204996 LGPJQOMIRPDRJP-UHFFFAOYSA-N 406.515 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1760219712 LNICNJIUSCOHDM-MOPGFXCFSA-N 424.526 1.647 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCC(C)CC2)CC1 1760262732 XXXDGRXYSJQXDE-UHFFFAOYSA-N 407.566 1.751 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760324744 MDPBEVZNQGWLCY-MMOPVJDHSA-N 410.522 1.912 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760378959 CZZSQDMBXBUBRL-KXBFYZLASA-N 409.918 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC(CO)CC1 1760517709 VWECYDIBAJYSKE-UHFFFAOYSA-N 415.494 1.473 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760520109 CPWRDNWYNGKUBP-GXTWGEPZSA-N 410.400 1.798 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(O)CCSC1 1760929762 CUXHQWBDXAXEQL-FQEVSTJZSA-N 413.551 1.863 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765182289 VZGGUAQONQDGOZ-HMWBCQRISA-N 408.466 1.498 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1766368910 FSZOOQZSLLWKQS-UHFFFAOYSA-N 404.478 1.764 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC 1766408543 FWYOQFHSTCDTGA-OAHLLOKOSA-N 400.487 1.228 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1767847815 RLLGJGNRBYKWAV-YOEHRIQHSA-N 418.523 1.227 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(C)=O 1768972873 LIAHBKUKAYRFCU-FQEVSTJZSA-N 416.457 1.834 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc(F)cc1F)ON1C(=O)c2ccccc2C1=O 1772790557 SWMHNCUCIPMHDX-UHFFFAOYSA-N 424.381 1.778 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C)c1)[C@H]1CCN(C)C1=O 1848806546 REXGRVXYDYAXBN-ROUUACIJSA-N 405.520 1.393 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC[C@H]1CN(C)C(=O)CO1 1850225460 IQIWTXOYILIYLC-UXHICEINSA-N 404.507 1.369 30 10 HDEE Cc1ccn2cc(C(=O)Nc3nc(N4CCN(C)CC4)c(C#N)cc3C#N)nc2c1 1851134895 ZRZLMLBJPHERFO-UHFFFAOYSA-N 400.446 1.785 30 10 HDEE CC(=O)N1CCN(CC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)CC1 1851362239 PIUUALJMGRAZOF-UHFFFAOYSA-N 403.788 1.813 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)CO2)nc1 1851778877 VLPWAOPYMFCYIW-RBUKOAKNSA-N 406.442 1.708 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852424970 FIGQKWBWFPCBPK-RBUKOAKNSA-N 406.442 1.974 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccc(Cl)cn1)CC2 1852860200 KRWZBSPSCVCPAT-NSHDSACASA-N 409.837 1.630 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)c1cc(Br)cnc1N1CCOCC1)CC2 1853165659 DQMGHFZYVVUMPQ-UHFFFAOYSA-N 417.267 1.474 30 10 HDEE C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@@H]1CCS(=O)(=O)C1 1853850447 OXHJTMUQXGUBJV-WMLDXEAASA-N 424.482 1.912 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1854314478 YRJXRUZDCYQCJR-RHSMWYFYSA-N 409.483 1.224 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccn3ccnc23)CCN1CC(=O)c1ccc(C#N)cc1 1855114109 UKQTUQDSNYSLQN-HNNXBMFYSA-N 401.426 1.762 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1855606520 TUIABDUOOJQAHR-GOSISDBHSA-N 421.494 1.743 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)cc1 1855639540 ZSNGNTVQCONHSU-QRWLVFNGSA-N 403.438 1.899 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)[C@H]4COCCO4)C3)CC2)c(F)c1 1856165955 WDVSLKCBAXRKDA-AZUAARDMSA-N 415.465 1.700 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCN(CCOc4ccc(C#N)cc4)CC3=O)n2c1 1856340299 BKUZGGORCRGFQS-UHFFFAOYSA-N 403.442 1.878 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(c4ccnc(F)c4)CC3)CC2=O)c1 1856602586 HWAOAJSWQIKVDM-QGZVFWFLSA-N 407.449 1.903 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CSC3CCCC3)C2=O)CC1 1857069806 BMYSAHJQWNDDKV-GOSISDBHSA-N 413.547 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)C1 1857232252 RDPKJBVNPLCBOY-RDJZCZTQSA-N 416.522 1.854 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1857235810 RYBRFKLOWQTHME-AEFFLSMTSA-N 401.511 1.591 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(Oc4ccccc4)C3)ccc21 1857364809 GIWTXWZOXJLKLP-UHFFFAOYSA-N 411.439 1.468 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCn1ccnc1 1857492500 QAONYXWJJDAHQY-UHFFFAOYSA-N 416.503 1.976 30 10 HDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861841966 DWOBMLYNFKVTNG-SFHVURJKSA-N 407.426 1.983 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CC(=O)N(C(C)C)C3)sc2c1 1865926550 IPXIWTQVKXMCBX-GFCCVEGCSA-N 422.532 1.956 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCCCN3CCCC3)C2)CC1 1872939889 QNOPHSUAVFKQPJ-IBGZPJMESA-N 404.555 1.252 30 10 HDEE C=CCn1c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)cc2c(=O)n(C)c(=O)n(C)c21 1873599232 MPSIEKTWQBFTIU-INIZCTEOSA-N 416.865 1.342 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccnc2)o1 1874433798 YSETUWUACJEGJH-ZVBGSRNCSA-N 414.447 1.863 30 10 HDEE C=CCOc1ccccc1OCc1nnc2sc(CNC(=O)CCOC)nn12 1874773467 QLCBURBFEJZSOD-UHFFFAOYSA-N 403.464 1.982 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3cccc(OC)c3)C(=O)C2)cs1 1890642010 COLNMHGYKPHDQZ-UHFFFAOYSA-N 414.487 1.552 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](C(=O)N3CCSCC3)C2)cs1 1890703968 BMGKGWLMXJSKMX-ZDUSSCGKSA-N 408.549 1.487 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)c1 1891494542 JHCUJYCUHKWYEG-UHFFFAOYSA-N 409.475 1.040 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)c1 1891929398 KKNUWOBVFGHTEY-HOTGVXAUSA-N 411.487 1.549 30 10 HDEE C#CCOCCONC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1984759190 DOVWFXGDXHIZGA-JOCHJYFZSA-N 417.506 1.853 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccc(N)cc1C#N)C(F)(F)F 2162582343 LDEJKCWASOGXIZ-GFCCVEGCSA-N 408.402 1.874 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C 2174785727 BXDPMEKFVIWVBK-SRGMZFCMSA-N 423.557 1.648 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCNC(=O)OCc3ccccc3)[nH]n2)OC1(C)C 2241485924 GTDQKOYIYSZQMC-UHFFFAOYSA-N 414.271 1.365 30 10 HDEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2247820263 NVZLCGLBCSKCGZ-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825802 JMXYQIWEQXWAND-KBPBESRZSA-N 420.319 1.885 30 10 HDEE Cn1cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247845806 VZPFCVCCZGJLML-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2248481678 OZUJDGAXRWLSCN-HNNXBMFYSA-N 420.315 1.906 30 10 HDEE Cn1cc(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255625732 WJLSUTLUFXDMPM-SBUREZEXSA-N 422.338 1.724 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)[C@@H](O)C(F)(F)F 2265291963 CURSQJWQVUCFQU-BWZBUEFSSA-N 404.407 1.081 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282144589 ZHHBGSFZCCJGFB-WDEREUQCSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1NCC1(C)C 2282310951 AZQDBUYEKWIQLL-CYBMUJFWSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCNCC(F)(F)C3)c2)OC1(C)C 2282331047 IYBRHGXTTALREU-UHFFFAOYSA-N 408.301 1.277 30 10 HDEE CC[C@@H]1CNCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338219 PZVSSZQIRYMEQJ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282345111 NTAXKOOGNBKFAX-NSHDSACASA-N 423.387 1.101 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)NC 2282409796 SBQHJZGXQNMRIE-NSHDSACASA-N 402.347 1.159 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](C(F)F)[C@@H](N)C2)OC1(C)C 2282488595 CUSVROHFQRPNQK-ONGXEEELSA-N 408.301 1.260 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)C2(C)C)c1B1OC(C)(C)C(C)(C)O1 2282507144 CGKAHDBXCKZOQV-LBPRGKRZSA-N 401.359 1.808 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(CC2)OCCO3)c1 2282554441 DPNSERBLHRZABZ-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282871734 LGMSRLPUTIFBIB-UXMMLNGASA-N 421.415 1.709 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@](C)(O)CC2)OC1(C)C 2282876446 DDRGDDHMTBQVRZ-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CS[C@H](C)[C@@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369357 WTMFJRGODLOGBI-MWLCHTKSSA-N 400.331 1.685 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC(=O)O)C2CC2)OC1(C)C 2284395182 IMGFFIGJBBSCSP-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CC(C)(C=CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415611 PHFVMVXUEKHZAJ-UHFFFAOYSA-N 401.315 1.745 30 10 HDEE COc1ccc(OC)c(C=C2Oc3cc(OCC(=O)NCC(=O)O)ccc3C2=O)c1 2297472020 UWBGXDUGGGIKDY-UHFFFAOYSA-N 413.382 1.900 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@@](C)(NCCC#CBr)C(=O)O)C1 2305990767 YDBOJIFKLMZGRQ-MLGOLLRUSA-N 405.289 1.801 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC(F)(F)C(F)(F)CO)[C@H](O)C(F)(F)F 2361665147 PTWDIHGDWPVBKU-BQBZGAKWSA-N 416.290 1.182 30 10 HDEE CN[C@@H](C#CC1(OC)CCCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363621527 RRMUIYMSFGJCEI-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365170050 GPIMJDJMDCNCLM-KBPBESRZSA-N 401.525 1.636 30 10 HDEE C[C@@H]1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C 2365173351 RBEZCHXTUFXIFM-LPMFXHHGSA-N 401.525 1.779 30 10 HDEE COCC[C@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365192445 CIDHWUPVJKAUOP-HNAYVOBHSA-N 403.541 1.838 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367784106 AQRKJPQUQBVYQM-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2367822936 XVSSIFCPBWXMGH-BEFAXECRSA-N 400.541 1.307 30 10 HDEE CC[C@@H]1CC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OC(C)(C)C 2367823481 PTANUWDQRSVYEJ-CLCXKQKWSA-N 400.541 1.435 30 10 HDEE C#CCOCCOCCNC1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2371315790 WWMHPNUZAAJFDS-UHFFFAOYSA-N 418.490 1.935 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2372804665 PGZXWPOBWJMTLU-KBXCAEBGSA-N 404.529 1.810 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7936337 JNEWUBAZRRURFZ-ZIAGYGMSSA-N 419.459 1.441 30 10 HDEE N#Cc1ccc(CCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 10026108 BVXQVVIJLUHFJM-UHFFFAOYSA-N 419.528 1.890 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cn1 20827719 LLKJUXSFFWOMAR-KPSZGOFPSA-N 403.472 1.217 30 10 HDEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)CC)CC1 36211647 UUYRYDKJDPRNHY-IBGZPJMESA-N 401.463 1.465 30 10 HDEE COc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 219964143 PFDNIPLXZDEKKC-QGZVFWFLSA-N 422.445 1.279 30 10 HDEE C[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 247985593 YYHNRALKFPWLKV-WOYCLPQFSA-N 420.381 1.760 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc(NC(C)=O)cc3)c2=O)cc1 254658072 LLOBMWIZSRVONR-UHFFFAOYSA-N 416.462 1.893 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)CCS(C)(=O)=O)c2)OC1(C)C 404819105 MSANUCCKQYZYPY-UHFFFAOYSA-N 423.749 1.426 30 10 HDEE C[C@@H](C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)n1cnc(C#N)n1 409510267 ZGJGOTRAIBLFDX-AWEZNQCLSA-N 402.480 1.202 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCOC[C@H]3C)nnc12 432445317 UGESIUKSQXQRDJ-UKRRQHHQSA-N 413.503 1.864 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCO[C@H](C)C2)O1 435267075 LLWITEZETHEGAD-UIVXKWKOSA-N 421.519 1.410 30 10 HDEE N#Cc1cc(Nc2ccn(CC(=O)N3CCOCC3)n2)nc2ccc([N+](=O)[O-])cc12 443414554 CPELHKNYQMDFJN-UHFFFAOYSA-N 407.390 1.814 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 460385578 GHBNZOGGTNIQPA-HUUCEWRRSA-N 413.544 1.191 30 10 HDEE CCc1nsc(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 462092306 LRKYMWJMVDEQRV-UHFFFAOYSA-N 409.479 1.907 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1)n1cnc(C#N)n1 466378281 ZWXGGRMUFDZOMK-HZMBPMFUSA-N 403.240 1.173 30 10 HDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)s1 473768629 YDGMNWFGKSUISJ-UHFFFAOYSA-N 400.507 1.297 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 511971717 QTWRYRBCDZIGNU-UHFFFAOYSA-N 421.479 1.520 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3COc4ccccc4C3=O)C2=O)cc1 538308784 AORDWGVONQYLOJ-SJORKVTESA-N 418.409 1.523 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541104234 NHJSEALTAUJZAV-CQSZACIVSA-N 422.898 1.943 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC)CC1 555060178 VTUGGPZSGLKNII-GOSISDBHSA-N 412.494 1.235 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(C(F)(F)F)c1 564262280 XNCLLJWBYVTLJJ-UHFFFAOYSA-N 408.380 1.370 30 10 HDEE Cn1ccnc1COCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 590423520 WRULGIYAQVMVPG-UHFFFAOYSA-N 411.441 1.464 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 610598626 AOSOSDOEXLRFLC-VFNWGFHPSA-N 414.462 1.563 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(CCO)CCN2CCOCC2)n1 611842036 PTGCTFRTSYKWHY-UHFFFAOYSA-N 418.885 1.556 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)cc(C)c1C 679527808 UBYLJOXQMOFGKC-UHFFFAOYSA-N 411.524 1.591 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727415605 WPRXEMMZBILDBN-MRXNPFEDSA-N 413.499 1.244 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1 732494800 NJKUQPWGUGTWKN-UYAOXDASSA-N 416.437 1.810 30 10 HDEE CC(C)[C@@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N(C)C 733833656 ZSSUZKFPGGRFEO-NVXWUHKLSA-N 400.435 1.419 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 746192805 AXYGIMYYZLPVQG-MGPWXQLLSA-N 406.483 1.666 30 10 HDEE C[C@H](CC(=O)O[C@@H]1CC[C@@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 752217517 IOGMPXJSJJWMFF-JHJVBQTASA-N 414.505 1.013 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCc2ccnc(C#N)c2)C1 754726817 BGHAYGUWWWUWMN-OAHLLOKOSA-N 404.448 1.702 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758645618 RSPMXPKHDJLUQZ-ZFWWWQNUSA-N 409.464 1.511 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@@H](C(N)=O)C2)c1=S 764942919 CWUORSCAPOKBFN-MRXNPFEDSA-N 403.508 1.631 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cn(C)nc1C(F)(F)F)c1cc[nH]n1 772429878 CVUOMYKBJDCKTP-UHFFFAOYSA-N 416.360 1.104 30 10 HDEE C#CCN(C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 774033066 OYZMRTXHEAKOOE-KRWDZBQOSA-N 421.519 1.588 30 10 HDEE C#CCN(C(=O)NCCc1ccc(-c2nc(CC)no2)cc1)[C@H]1CCS(=O)(=O)C1 774198203 GKZCWHKEHRPEEC-KRWDZBQOSA-N 416.503 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3ccncc3C#N)C2)CC1 775496567 IWRXZZRQGOBYNG-UHFFFAOYSA-N 407.496 1.024 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 775880552 QTDTUGTUBZPFEJ-OFQRWUPVSA-N 412.446 1.554 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 779623393 CAYLIIDQYXDQEO-UHFFFAOYSA-N 418.346 1.580 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 783026948 YWFCIWUIBKHVJY-BZUAXINKSA-N 413.540 1.654 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cn4ccnc4s3)CC2)o1 785819655 GVYXBURPEZXCBU-UHFFFAOYSA-N 400.420 1.070 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 787975143 KGDCHFNQFKZKPL-UHFFFAOYSA-N 419.434 1.837 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 788812740 CAPSPPIVNNMYEQ-HNNXBMFYSA-N 416.428 1.823 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)=NO1 798994142 YVARBAIUKAGEGA-OAHLLOKOSA-N 414.466 1.271 30 10 HDEE CCN1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 802364034 RTEDDVMXOPCMNU-HNNXBMFYSA-N 406.508 1.023 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)N[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O)C1CC1 812285938 DHDOOZBZJXKTHO-VLIAUNLRSA-N 405.499 1.889 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@H](C#N)C(=O)NC1CCCC1 917041349 WKGCMRRHVLRPQZ-SFHVURJKSA-N 419.503 1.397 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC2=O)cc1 928990855 YSJOZYXGCUIWMI-HNNXBMFYSA-N 414.487 1.961 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccc(Br)cc2)n1)Nc1nc[nH]n1 1084424998 GRMRHKUXWSHAOF-UHFFFAOYSA-N 422.272 1.862 30 10 HDEE COc1ccc(CNC(=S)NN=Cc2ccc(OC)c(OCC(N)=O)c2)cc1 1115813032 KECOIHBZDAADPK-UHFFFAOYSA-N 402.476 1.566 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1124446324 QDZXRJSTXXTVNU-INIZCTEOSA-N 413.471 1.256 30 10 HDEE Cc1occc(=O)c1OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125125594 HIINFGORMGSYOQ-HEHNFIMWSA-N 419.459 1.779 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1=O 1127330555 SZFQRAPQCXVAIK-JCYILVPMSA-N 414.462 1.171 30 10 HDEE C#CC[C@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1131719201 ZOIMTSYEIUGKCH-HUUCEWRRSA-N 409.464 1.150 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1132611937 KWBGHIWHMTXHRM-ZDUSSCGKSA-N 422.482 1.115 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(S(C)(=O)=O)nc2)C1=O 1139682545 DAIITTILYGYFER-GOSISDBHSA-N 410.496 1.801 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(-c4ccccn4)n[nH]3)ccc2c1=O 1140781621 SPKZFTOFYHPROP-UHFFFAOYSA-N 419.470 1.981 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](O)CN3CCCCC3)CC2=O)cc1Cl 1142586075 VFYZKQTXSQMBHL-WBVHZDCISA-N 404.898 1.528 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1142644248 ICEMRZXDESZECO-INIZCTEOSA-N 405.863 1.440 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCCn4ncnc43)c(C#N)c2N)cc1 1148731578 FKXMLYKVXGRJOV-MRXNPFEDSA-N 404.478 1.853 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1154959280 QINNZKLOVUUURV-AWEZNQCLSA-N 403.426 1.198 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@H](O)CS(C)(=O)=O)cc1C 1157836508 PYRQLNLJAWSGNK-INIZCTEOSA-N 404.492 1.216 30 10 HDEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCOC1 1159759858 QNGLBNBMNBPZGT-NVXWUHKLSA-N 408.476 1.320 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)CC1 1177021761 FSBPWSYOOLCTSN-XXBNENTESA-N 418.582 1.781 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)cc1 1180277596 XOWSAHKMGHJSNM-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE N#Cc1sccc1N1CCN(S(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1 1192483884 GZRMLLOTSRFKOA-UHFFFAOYSA-N 408.549 1.473 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCCCNC(=O)CC2)CC1 1198667437 LZTSRKVIMOPSAF-HXUWFJFHSA-N 415.513 1.527 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)OC)c1 1211973262 FWMVDKMPUNMVGS-KRWDZBQOSA-N 403.460 1.060 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C(=O)OC 1213385322 QBFNUQNYOMDYBW-CQSZACIVSA-N 420.509 1.243 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)CC1 1218302776 FYTCCALAZDXKAI-UHFFFAOYSA-N 408.480 1.060 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 1252307844 JGJOQDNUYFTXND-SFHVURJKSA-N 408.524 1.335 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286319105 FOTQMARCAOTECX-UHFFFAOYSA-N 409.538 1.488 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccnn2)CC1 1286338831 QIYMNBXHWMYKHK-UHFFFAOYSA-N 410.526 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286407114 CWIYFWZVWVPPSI-CABCVRRESA-N 400.483 1.215 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C 1286431916 SRTPSMKXCNZFAX-QGZVFWFLSA-N 406.552 1.848 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1286452598 PUSCSCNUTIUJQY-UHFFFAOYSA-N 410.457 1.372 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1CC1(N2CCCC2)CCOCC1 1286468696 GMFQTHRKBRYQHL-UHFFFAOYSA-N 401.555 1.962 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1286483449 LBJQQGJUTJQLJC-UHFFFAOYSA-N 404.522 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC=C)CC1 1286490024 GFOIRPWGEJSYHA-UHFFFAOYSA-N 424.505 1.938 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1286627545 IMNRSSYZJPAIHN-UHFFFAOYSA-N 421.889 1.610 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C(C)(C)C)C1 1286813139 SJWKQQCHCDZHQF-MRXNPFEDSA-N 418.542 1.344 30 10 HDEE Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1289914184 SOKZKNDDNBVUAG-ZDUSSCGKSA-N 415.397 1.645 30 10 HDEE C[C@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291092315 GOVXKTCUMUMXAV-ZJYNUGOYSA-N 424.509 1.831 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)/C=C/C(=O)c1ccc(C)cc1)C(=O)NCCN1CCOCC1 1292872747 WLUIIKGJWDLGIJ-FIGAYLOZSA-N 415.534 1.713 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)c1 1300394408 GCLQZVLVXSXYHE-IBGZPJMESA-N 412.494 1.405 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1300411460 SAZWTHRKWRVIMK-ROUUACIJSA-N 421.567 1.793 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1300538394 QIBBAXCDXYHZLQ-UHFFFAOYSA-N 418.545 1.414 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1300579696 YKJMNBXERPHXIV-SFHVURJKSA-N 419.551 1.264 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nncn1CC 1300656249 BWEQDGGNWFFGFN-UHFFFAOYSA-N 410.438 1.599 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnnn1C 1300663549 AYFCRXIDXNETSM-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnn(C)c2)CC1 1300708620 WUOSHJMHTCTUAT-UHFFFAOYSA-N 405.506 1.703 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300871855 DDCUEFOFVVONNV-FPCVCCKLSA-N 419.482 1.512 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1301017059 GJVFPOFHVGKAKR-UWVGGRQHSA-N 417.841 1.408 30 10 HDEE C=CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301218468 PIWGEKQKGOCDGL-UHFFFAOYSA-N 423.521 1.542 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1301225693 IMFIIPWBXZHOTC-UHFFFAOYSA-N 409.538 1.631 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCOCCS(C)(=O)=O 1301958288 AJDNSEFGVMOUAG-AWEZNQCLSA-N 409.487 1.741 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1302444360 RNECOYZMDTUMSB-QRWLVFNGSA-N 401.515 1.522 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(C)[nH]3)CCOCC2)c1 1304118663 JRTMSLVFURTYLN-UHFFFAOYSA-N 404.492 1.618 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1305248502 DDPLHPBHKRJSGU-AVYPCKFXSA-N 417.441 1.265 30 10 HDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cs1 1306037060 TZLWUGUHTDZJJU-RYUDHWBXSA-N 411.557 1.694 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCC[C@@H]2CO)CC1 1307887419 HXCURQAOINUAHR-MRXNPFEDSA-N 413.478 1.692 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H](CO)C1 1308068759 QLFHIJQFCBCQDK-MRXNPFEDSA-N 409.508 1.246 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)OC)c2Br)C1 1309843877 MZXRSNYZCWSPHU-GFCCVEGCSA-N 415.309 1.612 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC1 1310877583 OSHBWZHNFVECEW-UHFFFAOYSA-N 409.284 1.673 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 1312789462 QFVYVKBGVSTXBH-IBGZPJMESA-N 414.550 1.825 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCCO2)n1 1329546458 WABALBYMSGSAML-PMACEKPBSA-N 424.553 1.885 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1359008309 LVPBCIFTGDEEOA-GOSISDBHSA-N 414.554 1.724 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)C1 1359323089 IBPMENJYXIMOHY-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1359333462 YOQLTVIHLVUAPS-MRXNPFEDSA-N 421.571 1.901 30 10 HDEE CC(=O)NCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1359460885 FFELZZLJZIDSMN-SFHVURJKSA-N 407.478 1.536 30 10 HDEE N#C[C@@]1(F)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1435904394 MGVOEERKLGOKCP-KRWDZBQOSA-N 407.243 1.984 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CN(S(=O)(=O)N(C)C)C1 1438182378 SYHBBGQZRLMKMY-UHFFFAOYSA-N 407.414 1.491 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C/C=C\c2ccc(Br)cc2)CC1 1449088891 QGECGOWTCOABCB-ARJAWSKDSA-N 404.308 1.746 30 10 HDEE CN1CCC2(CCC(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1450225698 PGKHWKRGWVMNNX-UHFFFAOYSA-N 418.563 1.886 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 1450465521 DBZWHWKLKCEPIW-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1452934791 FQSGHXAFKGGXBL-UHFFFAOYSA-N 421.515 1.813 30 10 HDEE CO[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCOC1 1453214117 JOBVMPASMAGFHA-DOTOQJQBSA-N 423.535 1.453 30 10 HDEE CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455822120 BSIOZXOKRHMMAK-CPUCHLNUSA-N 409.508 1.709 30 10 HDEE CN(CC(=O)Nc1ccc(Br)cn1)C[C@@H](O)CC1(C#N)CCOCC1 1459463861 DSVIKHRDOHHDLP-AWEZNQCLSA-N 411.300 1.786 30 10 HDEE CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](C)C(=O)OC 1463012477 AEQRYMVPMTYYDY-OAHLLOKOSA-N 421.519 1.759 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)CC1 1467815321 WZLUNLCIHRNRDO-UHFFFAOYSA-N 405.539 1.274 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc21 1468539992 DOMJFXUNBPFUIS-KRWDZBQOSA-N 420.473 1.864 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)CC1 1468933935 HYAHUCGTDCDJDA-LJQANCHMSA-N 414.506 1.418 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCCC#C[Si](C)(C)C)CC2)c1 1469984457 YAYMMKHRQOENDC-UHFFFAOYSA-N 421.639 1.834 30 10 HDEE C=CCCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1470044093 NAWBZOZUOYVTBY-UHFFFAOYSA-N 410.540 1.412 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1471602370 PXROMKIUUJQOIA-CNNODRBYSA-N 424.526 1.988 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 1471707027 KNDRMPNNOBJOGV-INIZCTEOSA-N 416.459 1.334 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 1471825917 LZIDKFVDWYMNRE-HZPDHXFCSA-N 404.536 1.700 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]([C@H]4CCOC4)C3)CC2)o1 1473870501 LHMPMEWKEQDRAC-ROUUACIJSA-N 401.511 1.642 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 1475303986 GEJOPSLBVQNNJR-CRAIPNDOSA-N 404.492 1.535 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 1475402643 FWRLNAKMCOKRTK-IBGZPJMESA-N 419.528 1.834 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)CC1 1476920067 NAYLJHYRGXFRHY-NDEPHWFRSA-N 405.524 1.620 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC#C[C@@H]1CCCCO1 1478597562 ZGKFDZDYRBYSMK-INIZCTEOSA-N 413.927 1.798 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1504972210 FKSBQJVCLQIBPI-UONOGXRCSA-N 402.455 1.217 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507536955 HPDQIFDPKKLBJR-DOTOQJQBSA-N 402.524 1.003 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507563133 COWLSGUJJGDYHA-IRXDYDNUSA-N 414.510 1.352 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507564064 MFHGCNUPLJUPFG-FGTMMUONSA-N 421.567 1.793 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1507642233 HZRPIAIBLUHDLF-CQSZACIVSA-N 420.564 1.223 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1507690636 UPRIZPPTCIHBLP-XLIONFOSSA-N 405.568 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1COCCO1 1507709315 SQUGNXCTRAYWEZ-GOSISDBHSA-N 407.474 1.995 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1507906879 OPVUJHAYURQCOE-ZZEZOPTASA-N 420.477 1.664 30 10 HDEE C=CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1507993525 GEADUPPZDHACKL-QGZVFWFLSA-N 402.524 1.919 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)CC2)cc1 1508100046 BTIAFMPPGDPNIX-QGZVFWFLSA-N 402.520 1.964 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC=C(COC)CC1 1508140575 OTESBPGPTDMFEX-UHFFFAOYSA-N 406.512 1.062 30 10 HDEE CC(C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1509523302 RCZNRHCSODRFET-IBGZPJMESA-N 403.462 1.788 30 10 HDEE Cn1cnnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1517401192 FVFWZRGKIBXGMS-IIAWOOMASA-N 400.487 1.102 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(OC)CCCC1 1519161019 DPKPIHZTXYBKFN-UHFFFAOYSA-N 404.515 1.840 30 10 HDEE C=CCn1cc(C(=O)N2CCCC[C@@H]2CNC(=O)CCNC(=O)OC(C)(C)C)nn1 1524141825 JWYUBRNZEFBKFU-OAHLLOKOSA-N 420.514 1.490 30 10 HDEE CN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(C#N)nc1 1527341681 XBQLVULUCJTYJO-UHFFFAOYSA-N 406.489 1.241 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@]12COCCN1C(=O)OC2 1535924983 XJKLWWWXYWVZSC-KUHUBIRLSA-N 410.471 1.301 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)[C@H]1c1nccn1C 1538544057 OSDGAKUZJWYFDQ-SFTDATJTSA-N 421.501 1.986 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1538993981 WJXFSTCQYZQVJL-CQSZACIVSA-N 419.507 1.114 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539108626 AWXPNVCCUYBNSO-OAHLLOKOSA-N 418.519 1.999 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1539153524 FIVQHGHCYHUJJD-WFXMLNOXSA-N 405.543 1.499 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539220782 LMIAIHJXVKYXHZ-LSDHHAIUSA-N 405.524 1.046 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOC(C)C)CC1 1539446472 DDCKSPOUYQZFST-SFHVURJKSA-N 423.583 1.141 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1539504750 NWTBBPWOGBIVFR-MRXNPFEDSA-N 403.508 1.554 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1539505061 GAOAGCVICQSXPK-UHFFFAOYSA-N 420.564 1.225 30 10 HDEE C=CCCn1cc(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 1539505833 GTMJZBLWCQFWJM-UHFFFAOYSA-N 401.851 1.355 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 1539590034 BVBUBBLUDYXGQL-VXGBXAGGSA-N 411.384 1.387 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)C1 1539744485 NMICDAQVPJPWQK-UHFFFAOYSA-N 409.450 1.123 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539758638 PYAIKWWRJLURIK-ROUUACIJSA-N 419.526 1.377 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1540180192 JGJPGSCKOUSIOQ-RTBURBONSA-N 411.506 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1540875935 CHMPHDNANXVWKC-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)N(C)C)C1 1540887468 XTRKZUGSEYHOHF-APWZRJJASA-N 423.525 1.652 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1543308535 FAGWPVPCHNEBNP-JLTOFOAXSA-N 400.458 1.464 30 10 HDEE C[C@@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1545091321 FGBFCEVXJRKZIC-KZNAEPCWSA-N 417.558 1.752 30 10 HDEE CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CC1 1547374250 MQBRQOISFYKXKR-INIZCTEOSA-N 420.495 1.113 30 10 HDEE CCOC1CC(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1548013017 BUSJTZZKGQLKQY-OFLPRAFFSA-N 402.499 1.448 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1548076151 KLSOSLYDNCPYGT-MISMHTLLSA-N 412.494 1.360 30 10 HDEE CCOCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1548233956 JGQACSLNSIQXIP-CZUORRHYSA-N 402.496 1.147 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N(C)C 1555556668 GLKVTSCRRBMOBX-HNNXBMFYSA-N 424.509 1.910 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(C#N)o1 1555737071 KXHXTDJGUUEUSU-DEYYWGMASA-N 414.466 1.182 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1556466000 GDBSSNNYWRRXFH-UHFFFAOYSA-N 417.510 1.843 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)c2C1 1557243071 KOHXAEZEFUANTO-ICSRJNTNSA-N 420.517 1.804 30 10 HDEE CCOc1ccc(NC(=O)N2CC(O)(CC#N)C2)cc1S(=O)(=O)N1CCCC1 1562102015 DACZEAUCKPSRIF-UHFFFAOYSA-N 408.480 1.362 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)nn1 1564958044 DCRGVWGKADEIIU-AWEZNQCLSA-N 404.446 1.016 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1sccc1CC#N 1570674714 FIONNHVTTXSKET-UHFFFAOYSA-N 408.461 1.773 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1583344015 GTMJVMQWFUWNSE-HSZRJFAPSA-N 405.454 1.967 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)[C@H]2CCCOC2)ccc1F 1584512324 ZXPSITGGHJLGNU-HOCLYGCPSA-N 400.472 1.461 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(cccc3C(N)=O)C2)s1 1585634305 XPYAPFIFBYYYHQ-UHFFFAOYSA-N 419.528 1.439 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1587803659 JDRYMLBCYVSIDT-HXUWFJFHSA-N 424.549 1.685 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC1OCCO1)C(=O)OC 1587981727 RJLACKATEKWZKH-OLZOCXBDSA-N 420.890 1.833 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1588412273 BQUZDZGWNLGRQL-UHFFFAOYSA-N 402.520 1.914 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1594637668 TVQMILZMNLUJCD-MRXNPFEDSA-N 411.842 1.937 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594720655 RYSIRYNWVMXZPL-MRXNPFEDSA-N 401.515 1.533 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1594753805 GCDQJEYODRVUOO-DYESRHJHSA-N 415.494 1.362 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCN(CCC)C2)C1 1595714383 NOIYRGDDVODCHO-KURKYZTESA-N 402.543 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H]1c1nncn1C 1595812124 NYNYOILBRQVCPA-HNNXBMFYSA-N 405.528 1.301 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccon1 1595812373 RAERYTLSPSHGPN-UHFFFAOYSA-N 402.480 1.489 30 10 HDEE C#CCN(CC(=O)N=c1cc[nH]cc1I)C(=O)OC(C)(C)C 1596035059 XQRVTVHLQDATOP-UHFFFAOYSA-N 415.231 1.917 30 10 HDEE Cc1nc2ccccn2c1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1603590819 ZKIMPUNDSKOUCE-ZDUSSCGKSA-N 411.487 1.776 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1610417772 XADFTJQIRZXSPS-LEWJYISDSA-N 419.526 1.864 30 10 HDEE O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N(O)CCCCc1ccccc1 1611653056 BJLFGYWGMLRHBS-MRXNPFEDSA-N 407.492 1.393 30 10 HDEE C[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCCO1 1611803824 FIMYRZQNQIYQOK-APWZRJJASA-N 407.540 1.879 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1614978992 CYRHJNGKBFLINR-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE Cc1cc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc(C)c1C#N 1616886511 ULIOOSKSXDYEHI-UHFFFAOYSA-N 418.441 1.766 30 10 HDEE CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)co1 1617488386 YGBSTGSQDPQUED-DROOOQRISA-N 406.460 1.645 30 10 HDEE CN1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618464297 BNPUYMZCFQYPPJ-DENIHFKCSA-N 410.522 1.747 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCNC(=O)C1CCC1 1618789280 XHGDWXLRJUDDBB-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE C#CCN(C[C@H]1CN=C(c2cnn(C)c2)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1620580388 WCCVEGRYGHNHHZ-GOSISDBHSA-N 401.511 1.900 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 1623898673 MBCADSONUGXTLC-GOSISDBHSA-N 415.538 1.756 30 10 HDEE COc1cc(O)ncc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1626004492 RPYHLJCIEVYDRB-LTGZKZEYSA-N 404.448 1.861 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(NS(=O)(=O)NC)cc2)c1 1626381612 IDSHOLIADODSMG-UHFFFAOYSA-N 421.500 1.612 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)cc(Br)c2N)CC1 1626966447 DAHJXIKXBXNKBI-UHFFFAOYSA-N 413.703 1.192 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1629170554 SOHARXHXRKCECF-KRWDZBQOSA-N 424.457 1.678 30 10 HDEE C#CCCN1CCC(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1629898464 YFYMGSUXQUEKCH-UHFFFAOYSA-N 406.389 1.637 30 10 HDEE CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCN(C(=O)CC#N)CC2)C1 1631232463 WVQHVJJKIJUHOZ-UHFFFAOYSA-N 407.518 1.992 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCC[C@@H]3CNS(C)(=O)=O)n[nH]2)c1C 1633670769 WUFILDVHAJIKCF-HUUCEWRRSA-N 420.539 1.524 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)c2ccccc2C(F)(F)F)CC1 1636479756 GICOVNLQXQVXKA-CQSZACIVSA-N 417.453 1.811 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c1 1636795512 UDWKVTXDUIIZLN-LPHOPBHVSA-N 401.488 1.867 30 10 HDEE CN(CC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1cccnc1 1638944214 JBHTVCFICQFYFM-UHFFFAOYSA-N 411.299 1.651 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1639840851 UHCUMJNNROBSBF-RTBURBONSA-N 403.523 1.902 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)CCNC(=O)OC(C)(C)C)cc1 1640574195 UYMFNTGOUSBRJS-UHFFFAOYSA-N 409.508 1.585 30 10 HDEE C#CC1(O)CCN(C(=O)CCCS(=O)(=O)c2ccc(Br)cc2)CC1 1641040997 PSHFTCQADHEBEV-UHFFFAOYSA-N 414.321 1.990 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1643324170 WLGDMZNTKPMBGK-ZUOKHONESA-N 403.483 1.467 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1 1643887746 CNFLBNVPKGHTCL-HNNXBMFYSA-N 404.517 1.547 30 10 HDEE N#CCc1cccc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n1 1644420127 IUZOMPCLNVOSPF-MRXNPFEDSA-N 400.460 1.857 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1n[nH]c(C)c1I 1644596607 KGHSHCCUMMDIEB-UHFFFAOYSA-N 403.220 1.740 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 1644638427 RAOCSJVZXJFZBC-FQEVSTJZSA-N 411.527 1.993 30 10 HDEE C#CCN(C(=O)CN(C)S(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1645455148 YTXMIJWQSRFMDO-UHFFFAOYSA-N 401.529 1.129 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)C1 1645737285 AVSYWWVMOOHRFB-MRXNPFEDSA-N 400.435 1.041 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@H](CO)[C@@H](CCO)C2)nnc1-c1ccco1 1648861269 QQNPHERDWYGUPZ-LSDHHAIUSA-N 406.508 1.656 30 10 HDEE N#Cc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1655644262 NGIUTTHVVGEZRB-UHFFFAOYSA-N 401.448 1.623 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)cccc2OC(F)F)CC1 1659059851 ZEPWTJYKYPNUDK-UHFFFAOYSA-N 402.423 1.214 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccncc4)[C@@H](C)C3)CC2)o1 1659975143 ISACRFKVSYCVTH-INIZCTEOSA-N 409.494 1.109 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H](NC2CCOCC2)C1 1660001379 FHQKUBMDLAJSLF-LJQANCHMSA-N 408.506 1.915 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1666684321 LQFVKSQRLXWPGR-NONVJHHQSA-N 409.508 1.950 30 10 HDEE CS(=O)(=O)NCc1ccc(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1667333532 CALMPARPRXENMO-UHFFFAOYSA-N 413.503 1.962 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)C1 1673067917 CXSVNYLJRFXGRT-INIZCTEOSA-N 422.551 1.945 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC[C@H](C(F)(F)F)O3)CC2)c1C#N 1675808950 NQSKNTCFWZAXEV-DZGCQCFKSA-N 414.432 1.932 30 10 HDEE CO[C@@]1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1676217575 BZHLMWBSKFSNMA-LJQANCHMSA-N 407.492 1.315 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1678664538 XQADZKPLRSFNHO-KRWDZBQOSA-N 401.463 1.352 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)C(C)C 1681721998 WJDQQSHQGOTNOB-CYBMUJFWSA-N 403.426 1.778 30 10 HDEE C[C@@H](C#N)CN(C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685135004 BHKGTMAWKHTXSY-UONOGXRCSA-N 402.517 1.212 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 1685177051 JWTFWUSTWUMVBU-LJQANCHMSA-N 401.486 1.189 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1689852808 KWRKWLXXIKZUPZ-KDOFPFPSSA-N 421.461 1.402 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1689933976 FTSJPHWWQNGABP-UHFFFAOYSA-N 402.524 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1CCS(C)(=O)=O 1690052716 PNRVCPIWODJBKN-UHFFFAOYSA-N 414.531 1.579 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690066898 OQPCWQWYMGODKH-OAHLLOKOSA-N 416.913 1.948 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1690136249 CFXADCSWFSQPPR-XMSQKQJNSA-N 415.538 1.705 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1690527477 OWSWWKFTKCGMNV-HUUCEWRRSA-N 420.514 1.487 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1690589869 DVZAEKAIAAGXDL-MRXNPFEDSA-N 402.524 1.943 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCO[C@H](C)C1 1690666275 YQHHWSLKYJZVOU-OAHLLOKOSA-N 413.478 1.634 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(CCC(N)=O)CC1 1690673054 MVYBNCMQMAQSPP-UHFFFAOYSA-N 411.510 1.048 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1 1690720410 IDKHMCZHFXZHLG-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690744359 NJBHDXVYCNDWGI-KRWDZBQOSA-N 422.599 1.302 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCOC2)CCOC1 1692595929 QNSRYBFDAFAQIB-SQGPQFPESA-N 405.499 1.474 30 10 HDEE CN(C)[C@]1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1696605377 MEBAOAXDIJOLEB-MDZRGWNJSA-N 406.556 1.338 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C(N)=O)cc1 1698227950 PSMZPZVRHKWVNR-WBAXXEDZSA-N 412.494 1.888 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(F)(F)CC2)o1 1698488332 NXAUPGDNFSDHBR-LBPRGKRZSA-N 411.434 1.929 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705532338 LZARGVISLMGZAQ-ZWKOTPCHSA-N 421.567 1.590 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1705574727 LSNQWNGFQZBJKM-OAQYLSRUSA-N 415.494 1.234 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1cnnn1C 1705626765 IQZLEBQZLVABIZ-UHFFFAOYSA-N 418.461 1.863 30 10 HDEE C=CCN(c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1705855044 URERIRFRLFNDJM-INIZCTEOSA-N 417.535 1.915 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1cnn(C)c1 1706630361 AMZKVVIAQHWNSB-MOPGFXCFSA-N 418.505 1.942 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1710980348 AQASNCATRHCMDA-OAQYLSRUSA-N 407.478 1.011 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCNC(=O)C1CCC1 1710986723 SEJNVFMHXJCXBA-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 1711774432 FOQJNQUIVAWRQB-XLIONFOSSA-N 424.505 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1722278237 CJJHACNGCXMOQI-IFXJQAMLSA-N 420.560 1.675 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722301381 XNXBAUMJMVZTGH-CVTQAYBASA-N 405.462 1.248 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722324652 VRVKLNPMZPADOC-ARFHVFGLSA-N 411.572 1.942 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722370527 CGCOWESWKQYDGS-GJZGRUSLSA-N 414.478 1.282 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1722394478 YUYWBTFOWLLUEM-KRWDZBQOSA-N 420.473 1.405 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC 1722406385 OCPXBNVNXHITSP-UHFFFAOYSA-N 401.467 1.567 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722439832 RDBLILQFRCGTFY-WOJBJXKFSA-N 410.522 1.071 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722618852 VYTLECOYQHQAAA-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2[C@H]1C 1722701747 BVJABRPWPZPQTO-MRXNPFEDSA-N 408.506 1.826 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)SC)C1 1722710360 HKXZWWKCJWSBTJ-ZIAGYGMSSA-N 417.601 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC(C)(C)C1 1722730687 ZYPJGHVEFPSMMN-MRXNPFEDSA-N 423.583 1.874 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1723770615 BJSPKEWLQPYCLQ-MRXNPFEDSA-N 419.493 1.753 30 10 HDEE C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1723972201 HIRXUNCZQUFBQJ-RTWAWAEBSA-N 412.469 1.750 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1728702590 FQRMYBZVGKFKOX-MRXNPFEDSA-N 400.439 1.921 30 10 HDEE COCCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CC1 1730641976 HTLROIXZOUDKIP-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1740531440 LMYRQDGOORGZAQ-AWEZNQCLSA-N 416.913 1.846 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1740604211 ULAQFNUFXBTRJM-UHFFFAOYSA-N 409.450 1.243 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740628308 XCWKDZCHRSTKIZ-KSZLIROESA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@@H]1OC 1740644299 AHLWWFKOFZHFOW-XWSJACJDSA-N 402.495 1.126 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1740679133 ZRBWRDOXADDTKM-MRXNPFEDSA-N 405.499 1.046 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CC 1740681406 KEPWDZHFCNEUDG-NRFANRHFSA-N 400.479 1.963 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C#N)o2)CC1 1740689390 VJFLNSFRGNYVDC-UHFFFAOYSA-N 409.494 1.465 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2C)CC1 1740706681 ZKLXZCVNVUPGSS-LJQANCHMSA-N 420.517 1.552 30 10 HDEE C=C(Br)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740748276 CQWKUDJJMANYAF-WBMJQRKESA-N 414.304 1.150 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740794183 RUQAAQVLDUTBED-LJQANCHMSA-N 410.522 1.984 30 10 HDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740854178 DLQRLTNZYIRAFC-ROUUACIJSA-N 408.506 1.915 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCNS(C)(=O)=O 1740924138 HXBFXZYCJOPKMD-OAHLLOKOSA-N 411.553 1.933 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)N2CCOCC2)C1 1740974466 FUHQXGKDGNWWEH-KRWDZBQOSA-N 415.494 1.877 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1741045681 PWLMNXCANQWZAZ-RBUKOAKNSA-N 410.478 1.025 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1741124821 OQIKKZSXQLFWMU-HZPDHXFCSA-N 413.530 1.415 30 10 HDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1741851205 IAWVKRAPSPOMJF-PMPSAXMXSA-N 420.514 1.766 30 10 HDEE Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)n[nH]1 1742600425 CIZHRVZTLMXEAL-INIZCTEOSA-N 405.466 1.407 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1748667091 MZHKPCTWSVFGDM-VQIMIIECSA-N 408.506 1.572 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748818447 ZUQSVOOZNGSSSB-QBPKDAKJSA-N 410.515 1.547 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N(C)CC 1748950953 REUVXMPENBFALS-UHFFFAOYSA-N 400.439 1.418 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)COC)CC1 1749009063 FNMQFFGUOBZHAW-FUHWJXTLSA-N 403.527 1.768 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1749033984 TXURJFVUXOCUCQ-INIZCTEOSA-N 404.540 1.043 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749120529 FQLAHMCRMYNSKG-SJLPKXTDSA-N 411.510 1.388 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1749499539 IOVQYDJIRVUGAL-OAHLLOKOSA-N 404.540 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749734012 CWBWOWZJUYPANE-MRXNPFEDSA-N 411.572 1.131 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1760117690 SALDWGYKPNNDKP-WBVHZDCISA-N 402.520 1.889 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H](C)C1 1760138424 YIFZAHQIYJQCJA-ULQDDVLXSA-N 409.556 1.507 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760141267 OSZSOCFKGXGIAG-FQEVSTJZSA-N 419.551 1.219 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(CC)s2)CC1 1760261652 VCONZLGKHSLNTO-UHFFFAOYSA-N 412.563 1.828 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1760282594 JMFJVCNQXFXOSL-UHFFFAOYSA-N 406.600 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@@H](C)CC 1760294673 DCBZCBPMQJYECE-LNKGRISISA-N 408.568 1.969 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760432703 LXZYQSRDZHPEOU-HZPDHXFCSA-N 421.571 1.972 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1760491862 WYRSAIWVFQSIKB-OAQYLSRUSA-N 419.493 1.578 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@@H](C)CC(N)=O 1760520858 BUGFZFWBPOHLJR-AWEZNQCLSA-N 423.477 1.602 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@]1(OCC)CCOC1 1760528910 QPSSWDDSXHFJMX-IERDGZPVSA-N 415.494 1.819 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)C1 1760534444 YNYSETKPECANRT-SFHVURJKSA-N 418.542 1.018 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1760695105 AVFFZICOIRHUPG-BBWFWOEESA-N 408.572 1.508 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1761183588 CIJFNTCSFNIVQC-UHFFFAOYSA-N 405.510 1.914 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1766166843 WSQRADIJIOSVHF-VJANTYMQSA-N 418.542 1.605 30 10 HDEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766524426 XPANMWJXQBEGSZ-IRXDYDNUSA-N 401.515 1.222 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C1 1769064403 HBBCCQJZGJOHHG-NRFANRHFSA-N 414.485 1.803 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1769111542 BUBDLLKUOQAUQF-OAHLLOKOSA-N 412.494 1.726 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC#N)CC1 1769369865 RUJUNMJGWSRXHF-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE Cc1cc(C)c(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c(C)c1 1849778807 KLLZVPPZTHWOJV-KRWDZBQOSA-N 418.501 1.974 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c(C#N)cnn1-c1ccccc1 1849949484 YYBQZIQWMCOUGH-UHFFFAOYSA-N 419.445 1.769 30 10 HDEE COCCN1C[C@@H](C(=O)Nc2c(-c3ccccc3)cnc3c(C#N)cnn23)CC1=O 1852621173 WGDWQQAODOKNOH-HNNXBMFYSA-N 404.430 1.701 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2[nH]ncc2C#N)CC1 1853031966 FQNJAMUOUNFPEU-QGZVFWFLSA-N 408.462 1.243 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)[C@@H]1C 1854277556 LTAKOHYAHBPGER-HOTGVXAUSA-N 410.474 1.725 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCC[C@H](N(C)CCC#N)C2=O)cc1 1854305917 LMHRAAWFZIATKC-SFHVURJKSA-N 405.520 1.912 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1Cc1nnc(C(F)(F)F)o1 1854391218 UOYZZXKEEJXPMX-UHFFFAOYSA-N 408.340 1.618 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1854467891 JBSYNJBXLNYBSW-QGZVFWFLSA-N 409.483 1.226 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1855037834 CRMSYALCYMMCGD-SJORKVTESA-N 416.547 1.943 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@@H]3Cc4ccccc4O3)CO2)cc1 1855187469 ZDCMJVFONCZZAJ-QAPCUYQASA-N 400.412 1.410 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855574065 KRTJABLFJBWFMA-DLBZAZTESA-N 416.547 1.691 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1Cc1nnc2n1CCC2 1855748647 DAHIFAMSNVFFGT-UHFFFAOYSA-N 406.490 1.678 30 10 HDEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)CC1=O 1856198225 GUHCLBKCWCBVSG-LSDHHAIUSA-N 402.882 1.974 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CC(Cn4cc(Cl)cn4)C3)CC2=O)cc1 1856231397 GYCVMGXLIQOYDQ-QGZVFWFLSA-N 411.893 1.958 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2cccnc2Cl)C1=O 1856721961 NWIRGODGDLPELD-HOTGVXAUSA-N 404.898 1.514 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCOC[C@H]3c3cccnc3)CC2=O)cc1 1856872510 UHNSDAPDZBWWRA-FPOVZHCZSA-N 404.470 1.944 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856914156 SZAYTKDNZMJMLS-SFHVURJKSA-N 418.519 1.873 30 10 HDEE Cc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857042059 RBRVZRFVBZNBCA-SFHVURJKSA-N 403.504 1.478 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(CC(=O)C4CC4)CC3)CC2=O)cc1C#N 1857222969 YMOQJCRKZUSGNO-QGZVFWFLSA-N 408.502 1.452 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1857263269 DYYRIDODUAKBOD-WMZOPIPTSA-N 403.910 1.976 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)C[C@@H]3CCCO3)C2)CC1 1857378447 VTAMIWYORAHZRM-HKUYNNGSSA-N 411.506 1.410 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccccc1C#N 1858018611 DWOZBTXZFIBCCA-UHFFFAOYSA-N 401.444 1.661 30 10 HDEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)OCO2 1858111955 YCUYMFBTRXKYDA-CYBMUJFWSA-N 401.444 1.981 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1 1859009506 RXNICUFRULPTJY-UHFFFAOYSA-N 404.419 1.846 30 10 HDEE C=CCNC(=O)[C@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514653 HRINCKMGIRYVCI-KRWDZBQOSA-N 401.463 1.520 30 10 HDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccccc2)CC1 1870529573 QYSLXNMICDAPIT-UHFFFAOYSA-N 410.518 1.871 30 10 HDEE CCOC(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(CC)c(C(=O)OC)s2)CC1 1872796252 RNNVBOJZKSYWPM-LBPRGKRZSA-N 408.480 1.442 30 10 HDEE C[C@@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCC#CCN4CCOCC4)cn1c23 1889863873 QRUYPVNYCGXJLM-CYBMUJFWSA-N 417.412 1.299 30 10 HDEE CC#CCN(CC(=O)O)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1900633508 VOMLQMYBIUMHBJ-GOSISDBHSA-N 417.506 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1960393367 DNJJFKVVYRPRHJ-JONQDZQNSA-N 410.515 1.848 30 10 HDEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2015915399 QZIDBDUMEKAOFV-WCQYABFASA-N 424.282 1.966 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)N1CCOCC1 2157039337 PXANUCMDWVRAGH-UHFFFAOYSA-N 402.347 1.056 30 10 HDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174780769 YASULOYJAWNOQN-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N 2174782089 MLSDJPBWFQLWMA-WHDAMIPWSA-N 414.509 1.715 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1Cl 2181083192 JLMXAZHZIOHVCK-QWHCGFSZSA-N 415.899 1.860 30 10 HDEE C=C(CNC(=O)CN(C)S(=O)(=O)c1cccs1)B1OC(C)(C)C(C)(C)O1 2197722475 IHJQDQVGFNCZKI-UHFFFAOYSA-N 400.331 1.672 30 10 HDEE N#Cc1cc(Br)cn(CC(=O)CCN2C(=O)c3ccccc3C2=O)c1=O 2210622881 WRPMTTNKIVTRHW-UHFFFAOYSA-N 414.215 1.738 30 10 HDEE C[C@H](COCc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243406191 UGKOSNQPUFZRPU-CQSZACIVSA-N 400.288 1.449 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243428203 IEIAZEQICBESJG-GJZGRUSLSA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247859477 WAFTYPAXWFUROF-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281998585 QVEUWXSJKLEBCZ-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282324650 SDWYFTRVZCEFJF-JQWIXIFHSA-N 421.415 1.746 30 10 HDEE CCN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)C1 2282337534 LQRSQKOAHWABNP-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CC[C@H](O)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282491552 LTOWWHUHGQRBIV-OCCSQVGLSA-N 401.359 1.722 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H]2CCO)OC1(C)C 2282495258 KAIQIXISPFHCQW-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H](CO)C3)ccc2Cl)OC1(C)C 2282495831 RRYIROZODGRNEE-GFCCVEGCSA-N 401.721 1.642 30 10 HDEE CCC[C@H](COC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503409 ZQSGBTFJRXKELJ-GFCCVEGCSA-N 404.363 1.677 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@](C)(N)C3)ccc2Cl)OC1(C)C 2282505108 YVBHSXQKIYVJGB-KRWDZBQOSA-N 400.737 1.751 30 10 HDEE COC(=O)C(C)(C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509537 LUAYFKLXMQXAAF-UHFFFAOYSA-N 403.331 1.418 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282510910 GKCUXWQEGDARLT-XELLLNAOSA-N 421.415 1.624 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282512357 SDJNACOWKDLZEO-YPMHNXCESA-N 421.415 1.579 30 10 HDEE CO[C@H]1CN(C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282629087 RRGSTCWMUQAKRW-RYUDHWBXSA-N 400.737 1.760 30 10 HDEE C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1 2282842695 BMCUXJYJJFJZSX-VXGBXAGGSA-N 401.363 1.002 30 10 HDEE C[C@@H](CN1CCCC1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856124 NZKQYXHTHUGARG-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CS[C@@H]1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282858561 YWLDUQSSSLTRTP-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](N)CC(F)(F)F)c2)OC1(C)C 2282860680 FBIIHCNVXUUXNN-SNVBAGLBSA-N 414.280 1.605 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H](O)CCC(=O)O)c2Cl)OC1(C)C 2284368073 PJWVPPXIIYYNGT-SECBINFHSA-N 403.693 1.656 30 10 HDEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)C[C@H](C#N)C(C)C)C1 2289590613 VZQDDNJLQMWRJU-JYJNAYRXSA-N 403.545 1.974 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2289603196 ZHCUUBOLZPEYOL-UONOGXRCSA-N 405.517 1.850 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(F)(F)C[C@@H]2CN)OC1(C)C 2296486098 DSHFQSMCRGPYDG-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE C[C@H](C#CC(=O)N(C)Cc1c(Br)nnn1C)NC(=O)OC(C)(C)C 2302421951 XWFBAVUVPJSRBR-SNVBAGLBSA-N 400.277 1.453 30 10 HDEE Cc1csc(C#C[C@H](O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338365629 SXBFOSKUBYFAQR-KBPBESRZSA-N 400.522 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2342052478 UVHMSLJBCFYTOW-LSDHHAIUSA-N 402.582 1.885 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NC[C@@]1(CO)C[C@H]1C(F)(F)F)C(F)(F)F 2357203907 ZYPUARYWDVPIIO-JISRMSBWSA-N 404.229 1.663 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2365207986 QZESGEJSUIOIKU-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE COC[C@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367788709 QDIMNNOZMXNSAE-KXBFYZLASA-N 401.525 1.734 30 10 HDEE C[C@H]1C[C@@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367798399 QKCQGCKJMRHXOX-SUMWQHHRSA-N 401.481 1.436 30 10 HDEE CN(C)c1ccc(C=NNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1 19879254 YKQPDNDGZWYORT-UHFFFAOYSA-N 417.473 1.984 30 10 HDEE C=CCNC(=O)Cc1cc(O)nc(SCC(=O)NCc2ccc3c(c2)OCO3)n1 22628895 WEUZBOGLBYXMMB-UHFFFAOYSA-N 416.459 1.164 30 10 HDEE CCC(=O)N[C@H](CCSC)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 54774471 GXPOEUZXAZNIIT-CQSZACIVSA-N 405.524 1.720 30 10 HDEE C=CCC(O)(CC=C)CNC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55089442 XTJOFQKDDQBLAI-GOSISDBHSA-N 407.461 1.655 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3nccs3)o2)c1=O 101351003 KDNNNVPDJCVASS-UHFFFAOYSA-N 420.476 1.192 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 111192392 XSMWHXAQYHZNFI-SFHVURJKSA-N 410.495 1.978 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 409478444 RPOWIMDIXDTYMC-IAGOWNOFSA-N 402.467 1.406 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nn(-c3ccc(Cl)cc3)cc2C)CC1 439803800 GMQFZKZCWZFXIG-UHFFFAOYSA-N 416.913 2.286 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ncccc3O)nnc12 473644474 ROXRHPBUMJOJOM-UHFFFAOYSA-N 422.470 1.739 30 10 HDEE COCc1noc(CN2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 474266295 KBUMARMXEJZOMU-LJQANCHMSA-N 407.471 1.122 30 10 HDEE CC[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 474682244 KETVLFCYJLGRFF-WOIUINJBSA-N 412.490 1.639 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477027492 YIMSARDYKICWNI-UHFFFAOYSA-N 420.512 1.725 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)Cc1ccc(C#N)cc1F 480705454 HCFYSTWKBPUZSL-CYBMUJFWSA-N 400.435 1.915 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=O)NC)c2ccccc2)c1 481562748 DGPQVHAGGWXYRD-GOSISDBHSA-N 401.488 1.758 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485993037 JBSCUWDYHKAMDX-CQSZACIVSA-N 418.500 1.107 30 10 HDEE Cc1cc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nn1CCC#N 504274248 IMNQZGFONVCUMN-UHFFFAOYSA-N 423.520 1.691 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC(=O)N(C)C2(C#N)CCCCC2)CC1 507714152 AFKBSXLUFVHVBS-SFHVURJKSA-N 403.571 1.736 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2C)CC1 508428772 QYRDATXJIWJAPJ-OAHLLOKOSA-N 402.474 1.518 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1 508483850 NHKFWRGICIMJMK-UHFFFAOYSA-N 414.487 1.981 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1 508675963 HYYLCGFSZZRQFA-NZSAHSFTSA-N 409.490 1.754 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN(CC(F)(F)F)C(=O)C2)c(OC)c1 512791284 BJRRZCOKBQUGSG-OAHLLOKOSA-N 402.413 1.870 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 515738675 UJIULWIYICDFCD-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CC2)nc1 517480081 MAPLMJTYCJGPCN-GOSISDBHSA-N 407.499 1.817 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)O1 526975593 XVQGLJLQLLSNSL-MOPGFXCFSA-N 400.479 1.747 30 10 HDEE CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H](C)C1 539452187 SZMHYCXZBKFWHH-OXJNMPFZSA-N 401.486 1.087 30 10 HDEE Cn1c(=O)c2c(ncn2CCNc2ccn(-c3ccc(Cl)cc3C#N)n2)n(C)c1=O 542937659 ZSISGUDAVNLHHC-UHFFFAOYSA-N 424.852 1.257 30 10 HDEE Cn1cc(Br)cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1=O 544893047 UBINUTFTYPDMKM-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 549254010 NGCDCZMRNQVDQM-HNNXBMFYSA-N 419.489 1.160 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 565274741 WPFAXZIIIYELTJ-GOSISDBHSA-N 419.551 1.866 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)c(Cl)c1 603974243 HINPFUQBNFGPNL-SNVBAGLBSA-N 411.892 1.999 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)ccn2)CC1 609568563 MEQUEFBUMXFWHA-OAQYLSRUSA-N 422.508 1.995 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 619103151 VZELXOQYZFTQDB-UHFFFAOYSA-N 406.446 1.832 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)COc2cccc(N3CCCC3=O)c2)CC1 619106810 AKPSJGGRHSLNLD-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2cccc(OC)n2)C1=O 726887857 KGHYQQFVYJOAAR-AWEZNQCLSA-N 415.475 1.762 30 10 HDEE CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 730143727 DEYWCWKFDSBOJY-INIZCTEOSA-N 408.524 1.723 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cc1 731885299 MPQBFNVDZXLACT-LJQANCHMSA-N 411.483 1.476 30 10 HDEE CC(=O)N1CCN(C(=O)[C@H](C)OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732402972 XWDLARXOEOMXFE-HNNXBMFYSA-N 422.441 1.982 30 10 HDEE CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 735195897 WJLIUCOLHYPTLC-GOSISDBHSA-N 413.478 1.458 30 10 HDEE Cn1cc(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)cn1 741310975 VFOCOVKPDMFVGN-UHFFFAOYSA-N 400.338 1.929 30 10 HDEE CS(=O)(=O)[C@H]1CCCC1=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1 741455049 KKDUJAPTXBUBNY-HNNXBMFYSA-N 400.526 1.621 30 10 HDEE CON(C)S(=O)(=O)c1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1 743081862 KDUQERHRYFDIDX-UHFFFAOYSA-N 404.448 1.941 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)cc1C#N 747494931 GOBBYBWBNXRPNO-UHFFFAOYSA-N 405.407 1.364 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cccnn2)C1=O 766424679 OHULNNONSFAJAX-OAHLLOKOSA-N 418.548 1.738 30 10 HDEE CCOc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 780856984 QOKBVABYKPYNST-SFHVURJKSA-N 403.460 1.879 30 10 HDEE COc1nn(C)cc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 789865767 DAEHSHUXFLSFQW-UHFFFAOYSA-N 405.480 1.666 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccc(F)cc1 794893977 UECZWPINCDEBIF-MRXNPFEDSA-N 423.491 1.292 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 797694967 JFWQTKLXIJOVPA-GQIGUUNPSA-N 406.504 1.397 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@]3(C(=O)OC)CCSC3)ccc2c1=O 797748452 LEYDYTUFDSLJIY-GOSISDBHSA-N 405.501 1.650 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 800011939 DYVHIFLVZVZKSA-GFCCVEGCSA-N 406.407 1.388 30 10 HDEE COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802475272 GVWKVUYVPAVAIX-KRWDZBQOSA-N 412.494 1.785 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2ccc(F)cc2)C1 802622430 QLUAURNXXLBZRB-CYBMUJFWSA-N 403.435 1.094 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 815199760 FSVVCSVCJIWKEW-WOJBJXKFSA-N 418.582 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCC3CCS(=O)(=O)CC3)NC[C@@H]2C1 849053094 YSDHMJHPOYRFHQ-OAHLLOKOSA-N 400.545 1.082 30 10 HDEE CN1CC[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@@H](c2cnn(C)c2)C1 849560213 YOZLFHZAEYIROQ-NHCUHLMSSA-N 422.533 1.927 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 916774757 AFTXDJRPJBWVBN-DAXOMENPSA-N 403.460 1.068 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cnc3c(c2)NC(=O)CN3C)cc1 1125155429 GBTPPSGEJXLIAX-UHFFFAOYSA-N 415.475 1.529 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(NC(=O)Cc3cccnc3)cc2)CC1 1128333812 YSQRJQWJHSCZRG-UHFFFAOYSA-N 404.470 1.864 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)c(C#N)c3)C2=O)cc1 1132759774 FOTIZQJSMICCGZ-OAQYLSRUSA-N 408.414 1.981 30 10 HDEE C#CCOCCC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1134467288 HGGPMSCIKJWMPE-OAHLLOKOSA-N 412.227 1.331 30 10 HDEE CCOC(=O)C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1136936038 FLBCTKFJOWKZLR-UHFFFAOYSA-N 408.252 1.097 30 10 HDEE CO[C@H]1COCC[C@@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141569453 ITUMWTLQABCIPN-KUHUBIRLSA-N 415.469 1.956 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)N(CC)OC 1143142013 BCWAHBLPSHPAJU-UHFFFAOYSA-N 414.256 1.624 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(CC#N)cc2)C1 1143220331 JGVVXHLBTLYYQD-GOSISDBHSA-N 415.519 1.810 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)CCc1ccc(C#N)cc1 1147634258 YPJHKMDQIJJPGX-NRFANRHFSA-N 403.479 1.605 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](CC(F)(F)F)C2)s1 1148485860 NURWDLBSOHZQNR-NSHDSACASA-N 412.455 1.935 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1148871459 MTHQALZVJUUNEX-WCXIOVBPSA-N 410.536 1.528 30 10 HDEE Cc1nccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1153928246 SHWFAXMZUKYGAD-UHFFFAOYSA-N 403.439 1.184 30 10 HDEE COc1c(F)cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(N)c1F 1156592200 QGYNSLVWISHLRZ-HNNXBMFYSA-N 400.385 1.958 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OCC 1171439826 PLJZIBFKQYJUDY-QWHCGFSZSA-N 401.868 1.802 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]3CCNC(=O)[C@@H]32)C1 1175797429 QCRZNLALVYOVRT-YVEFUNNKSA-N 417.307 1.884 30 10 HDEE C=C(C)COCCNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1210851296 PFRLXXOLWBYUCP-SFHVURJKSA-N 412.508 1.536 30 10 HDEE C=C[C@H](COC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1235201388 BZRVWUOPBRJIPY-FPCVCCKLSA-N 424.498 1.411 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1251366869 JLVDQTHPNZZODA-FUHWJXTLSA-N 409.577 1.843 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCn2cnc(C#N)n2)C1 1271807761 VESPZTMSGXPPLJ-JXFKEZNVSA-N 412.450 1.082 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286271043 QEHKWPDEXHCQRE-HUUCEWRRSA-N 412.460 1.856 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286390204 YNVWCTMMABSJOR-KRWDZBQOSA-N 405.568 1.657 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1286438909 IFLADCFROZURCQ-UHFFFAOYSA-N 423.564 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCn1cnc2ccccc21 1286468634 DBOBMNJGCROGSJ-UHFFFAOYSA-N 421.505 1.536 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN2CCCC2)CC1 1286472999 MWUMUHHRXNUJPG-JOCHJYFZSA-N 416.570 1.170 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1286582274 VJAAAYBRBOLORS-MRXNPFEDSA-N 423.583 1.889 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1286710779 CNEHYHVRRLELGG-INIZCTEOSA-N 404.515 1.369 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1286727535 SRKNAGKJIIIUPT-HUUCEWRRSA-N 415.585 1.376 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286790943 ZTBWRMRPTDYDBK-HNNXBMFYSA-N 404.515 1.636 30 10 HDEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1286796642 MGNDPRVQZHLTSX-IBGZPJMESA-N 411.506 1.795 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCSC1 1286821189 CYSDEFSHAGHXBJ-INIZCTEOSA-N 407.565 1.806 30 10 HDEE CC(C)C(=O)N1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1287110329 PAPZJQZVPXEJSZ-INIZCTEOSA-N 412.494 1.990 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C 1288614410 FLPXYJRUFHVWBR-RHSMWYFYSA-N 402.524 1.390 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCSCCCO 1293111575 WCHSCUVZDRJXHQ-UHFFFAOYSA-N 401.540 1.549 30 10 HDEE C=CCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1298020954 OWVCEPUNNWVHEN-OAHLLOKOSA-N 402.900 1.975 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1300430730 PSDPKAAPIFXKOY-HZPDHXFCSA-N 410.588 1.468 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCn1cc([C@@H]2CCOC2)cn1 1300553680 OWMYIVLLRCMZSI-GOSISDBHSA-N 423.521 1.280 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H]2CCOC2)CC1 1300733474 WIMULLCOIHKPBJ-SJLPKXTDSA-N 401.511 1.522 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1300989302 NRFYMQXVQPRBOI-CVEARBPZSA-N 412.556 1.634 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1300990573 WHRZGKDUDZGCCA-QGZVFWFLSA-N 422.555 1.533 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301197864 PZJKXBVLTVVIAE-UHFFFAOYSA-N 424.571 1.388 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1301557088 MJRPJSWPTSRPQP-ZIAGYGMSSA-N 409.537 1.466 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1302264431 FRNMHJMLYMDOCR-DJJJIMSYSA-N 421.477 1.586 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1303932860 AWOYGHCTJCHJNO-VQTJNVASSA-N 415.519 1.625 30 10 HDEE C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589422 HYSZXWIHIRMOFE-SECBINFHSA-N 409.229 1.978 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1307949729 JZVOHCTUWPZPBO-CALCHBBNSA-N 407.511 1.842 30 10 HDEE COC(=O)C1=NO[C@]2(CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)C1 1308013932 CRNGXWYVODYAIK-JLTOFOAXSA-N 402.426 1.855 30 10 HDEE Cn1cc(CNC(=O)N2CCC(C(=O)NCCCO)CC2)c(-c2ccc(C#N)cc2)n1 1312478941 IOCLBGNGZUBFNB-UHFFFAOYSA-N 424.505 1.379 30 10 HDEE C=CC[C@@H](CC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312599998 IJTYTTRAHLJWRT-QGZVFWFLSA-N 424.567 1.801 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)CC1 1314495487 HJXRNYWVAGDPQH-UHFFFAOYSA-N 420.521 1.757 30 10 HDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1314670207 IZOGEERERGUIFN-UHFFFAOYSA-N 412.494 1.992 30 10 HDEE C=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)nn1 1352619864 IAPWHASMMHTKLA-UHFFFAOYSA-N 404.496 1.043 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1358874297 VORVYMDDBIHEKI-IERDGZPVSA-N 422.493 1.412 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1358875692 UOMIBYMTZLDKSO-FRQCXROJSA-N 410.540 1.355 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H](O)C1 1358880748 RXUQIQSPCQGCGM-BXWFABGCSA-N 406.494 1.930 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1358911005 IMJKWBWQACLAJA-KRWDZBQOSA-N 400.527 1.727 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1358964109 UCMWLUGECQLMLI-QZTJIDSGSA-N 422.551 1.392 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1358965413 UYCWFDNTRAENEP-SFHVURJKSA-N 401.536 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(C)COCCO1 1358981241 BOVBGFABOJLBGK-HSZRJFAPSA-N 408.502 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1358994822 XGHQPKONDPHNRS-OALUTQOASA-N 417.579 1.375 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1359121937 OWXKTQREGGRGFW-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359329838 WNYISGZRBIWAOQ-HXUWFJFHSA-N 415.519 1.405 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1359426841 WYFRFHMAXGKCRC-HXUWFJFHSA-N 424.505 1.727 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1360475434 AQXPMIJLNZFALD-GOEBONIOSA-N 403.508 1.867 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1 1361015656 IXAAAVODDQQQHX-UHFFFAOYSA-N 407.434 1.391 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1443536241 KVXIPZMAKRFRGV-HONCFJACSA-N 418.494 1.666 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 1452428069 AZJROSBBCALPRI-BMGDILEWSA-N 421.519 1.051 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)c1 1453740457 CNWPRPJIZAAMDU-LJQANCHMSA-N 403.446 1.698 30 10 HDEE C#C[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 1453747425 SNAPKTGGQRHEKS-IRXDYDNUSA-N 407.511 1.437 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CO)(C(F)(F)F)CC1 1456636713 ZKXIMNHVOSKGFZ-GFCCVEGCSA-N 419.425 1.388 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)cc1 1463726775 RHOAUYFVMCSOCB-UHFFFAOYSA-N 409.485 1.589 30 10 HDEE C[C@@H]1CN(c2ccccc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1465310188 BFHNDUBWGXIUMU-ZIAGYGMSSA-N 412.450 1.256 30 10 HDEE CC(C)(CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@]1(O)CCOC1 1469351577 QZJQXKVDSSNQDV-VBKZILBWSA-N 405.882 1.858 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)c1 1469485765 RNNAFHKDMMSRBR-MRXNPFEDSA-N 406.508 1.374 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1)C(=O)OC(C)(C)C 1469973815 PDTOKTFVEFKTAZ-LJQANCHMSA-N 401.507 1.740 30 10 HDEE COC(=O)[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H]2C[C@H]21 1472006855 ABXMZNKGEURYSV-MSJOGUNTSA-N 401.850 1.878 30 10 HDEE CCCOc1cn(-c2ccccc2)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371711 YOIVVMNSLPYBTN-UHFFFAOYSA-N 420.429 1.492 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H](Cc2cccc3ccccc23)C(=O)OCC)CC1 1473699337 HDLWDVHQPYKPAY-JOCHJYFZSA-N 407.514 1.681 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1479060235 KUSRNKZDHHPNAH-LJQANCHMSA-N 415.515 1.894 30 10 HDEE C[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494194540 YOSQWYCIFUVVCJ-XQQFMLRXSA-N 408.484 1.015 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1501407425 XNOXRLKDZGNBNZ-APWZRJJASA-N 407.522 1.968 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1503365634 SLLQLHSKRYLJCI-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507596671 MNRLRECXXSXKMQ-MISYRCLQSA-N 414.554 1.532 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1snnc1C 1507612754 VUFBWVYIRRUCGU-UHFFFAOYSA-N 409.523 1.730 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507631362 CVTZVJSLWPZBJR-ROUUACIJSA-N 420.535 1.493 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1507635942 WLNZLWKSZVQQQH-QGZVFWFLSA-N 415.519 1.309 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@@](=O)CC)CC1 1507721596 WPBHWGPMONVHKR-LJAQVGFWSA-N 416.507 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNC(=O)C(C)C 1507800754 PBLKBVUFTGPOSU-AEFFLSMTSA-N 413.526 1.925 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2nsnc2c1 1508041632 RNEMMUXAZWARSG-HNNXBMFYSA-N 413.507 1.921 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC)C1 1516021832 FISKBEQWPOUYTE-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE COCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1518998851 QJMJACBSYXYJOB-LAUBAEHRSA-N 419.526 1.864 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 1519190048 BSGYHVFAXPQCGM-GZRFBZBPSA-N 422.464 1.744 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)C1 1521062964 LODQPXHPTFGVHL-MBOZVWFJSA-N 406.506 1.461 30 10 HDEE C#CCN(C(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1528599956 MDTDBHOIYGJRRX-MXASKKJJSA-N 408.317 1.984 30 10 HDEE CC[C@@H](C#N)N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1530064260 FOYZYSCQGSRGEN-GUYCJALGSA-N 407.268 1.977 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1535946142 NRKSJDXCPXYDGO-AWEZNQCLSA-N 412.493 1.461 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)CC#N)CC2)cc1OCC 1536282210 RWTYYWVIICWZRD-OAHLLOKOSA-N 409.508 1.867 30 10 HDEE CC[C@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1537622719 CTDOWSRTPJWFGZ-MRXNPFEDSA-N 422.551 1.928 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCSC[C@H]2C(=O)OC)ccc1F 1537783060 WAJSPXOUNQMJMR-ZDUSSCGKSA-N 402.469 1.021 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1538965877 QTJYAJZRAAVPBO-QGZVFWFLSA-N 411.510 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1539014165 LFPHLROWRVISJW-LSDHHAIUSA-N 415.585 1.211 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1F 1539415280 CAUKIYJZCGMZGT-MRXNPFEDSA-N 406.483 1.454 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1539445627 BFNASNTYBXYJRQ-QUCCMNQESA-N 422.533 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCO[C@H]1CCOC1 1539533592 RYODZJHXHXWBDV-LAUBAEHRSA-N 401.511 1.702 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCCn1cnnn1 1540127383 URDIRSHKCUMPSW-UHFFFAOYSA-N 404.482 1.948 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc2n1CCCCC2 1540198870 RLHWFXFMBCTPNN-HNNXBMFYSA-N 414.514 1.234 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1540869429 MROMMTJBZMHFQT-INIZCTEOSA-N 419.445 1.631 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1541090227 PIXGTONZOUINCE-CYBMUJFWSA-N 408.466 1.716 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1556383505 SUJDDRBLPZHZGV-WBVHZDCISA-N 400.284 1.865 30 10 HDEE COCCN(CCOC)C1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1557318126 IVZWUNXGNXZNRZ-UHFFFAOYSA-N 418.513 1.719 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]4OCCNC(=O)[C@H]43)CC2=O)cc1Cl 1558059692 IWCSEIRSUSNAFF-SKDZVZGDSA-N 416.865 1.071 30 10 HDEE C#CCN1CCN(C(=O)CN(C)[C@H](CO)c2cc(OC)ccc2Br)CC1 1559851745 SNEGVANEICZHGH-GOSISDBHSA-N 424.339 1.200 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OCC)cc1F 1561155281 YWAOSSIEYGOHIX-ZDUSSCGKSA-N 405.469 1.366 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1561717783 CXHLRFJIMBLDTQ-CYBMUJFWSA-N 422.956 1.423 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)C(CC)CC)CC1 1563448645 GMLZHBMLIJZOIX-LJQANCHMSA-N 406.552 1.959 30 10 HDEE Cn1nccc1[C@@H](O)C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1563913710 BTVKXWNWUSKIRB-NRFANRHFSA-N 423.521 1.811 30 10 HDEE COC(=O)C[C@@H](CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 1565071388 GVZOYHFMGSAGIW-HNNXBMFYSA-N 401.467 1.845 30 10 HDEE CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)Cc1ccccc1 1583209429 JGLYFQDEVPAPRI-GOSISDBHSA-N 401.488 1.866 30 10 HDEE C#CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587898032 DOLGWDQHMMMRPF-CBGDNZLLSA-N 420.510 1.092 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)nn(C)c1OC 1588646786 NEWWCCSYPYEDMX-MRXNPFEDSA-N 416.526 1.611 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCN2CC)CC1 1588733374 RDMLYQUHUIPHII-IBGZPJMESA-N 415.586 1.436 30 10 HDEE C#CC1(NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CCCC1 1588774496 AWMAUXUZNLNRSB-UHFFFAOYSA-N 408.480 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1588946947 JADOBZGLVAZTOP-UHFFFAOYSA-N 424.549 1.498 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1593886958 UQYGSBHXYJNEIC-WXHSDQCUSA-N 407.899 1.158 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1594867500 MWCCJZHYMSRQTI-IBGZPJMESA-N 412.556 1.766 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCn1cc([C@@H]2CCOC2)cn1 1596783996 XLQBDRCEBPGUBF-HZPDHXFCSA-N 414.514 1.413 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1602996684 PSPYTNSBZBEWFP-QRHJNKNDSA-N 401.529 1.285 30 10 HDEE C=CCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1616831006 BEGVMYVKXOAOHH-UHFFFAOYSA-N 409.552 1.866 30 10 HDEE Cn1cc([C@@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C2)cn1 1618404066 BFQRAXPHKSAACA-LJQANCHMSA-N 421.505 1.943 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)ccn1 1619362875 UQVNHVFIIZKOJW-XPIZARPCSA-N 401.511 1.727 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1619539208 HILRJBSOPGYVQQ-HMFYCAOWSA-N 424.505 1.570 30 10 HDEE COC(=O)c1c(Cl)cccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1622523696 AOVQMNATSOAAIB-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1 1622579972 RXQXMMNIASSCNE-KXBFYZLASA-N 407.492 1.502 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncnn1C 1627590213 VTXVJZGDGDCGTP-OAHLLOKOSA-N 418.523 1.161 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1628146728 NNXUXTYBQQYPJZ-GOSISDBHSA-N 420.554 1.307 30 10 HDEE CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)n1 1629484597 BMSSCVHHSGPIAC-UHFFFAOYSA-N 401.492 1.620 30 10 HDEE C[C@H]1CCn2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2C1 1629484703 CDQZHPWSFJHCLX-HNNXBMFYSA-N 413.503 1.484 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(=O)CC#N)CC2)c([N+](=O)[O-])c1 1630840563 UCKXJCNSYXFRAB-UHFFFAOYSA-N 409.468 1.188 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1OC 1631595734 HXJLDLPODPJFNM-CABCVRRESA-N 410.496 1.339 30 10 HDEE C[C@H](O)c1cn(C2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)nn1 1633580588 FNAHGMGAAMXFTJ-ZFWWWQNUSA-N 406.487 1.692 30 10 HDEE CN(CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1)CCS(C)(=O)=O 1633636991 MKPHOWKEWZLLCI-UHFFFAOYSA-N 415.515 1.843 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1635160220 JIONOTGCUFSGDQ-KSZLIROESA-N 405.564 1.497 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)c(Cl)c1 1635327932 FKADGMYDHZWKGJ-CRAIPNDOSA-N 412.881 1.290 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1636436356 LRIIRJVNBCRBGS-INIZCTEOSA-N 405.470 1.299 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CO1 1636625320 JRANICDOAZHDEW-HNNXBMFYSA-N 409.464 1.140 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636696235 LCXSTKILTDEPBK-LEYLNFSBSA-N 403.504 1.064 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCC1(C#N)CCOCC1 1637331690 AVBSBDBBKXPVSX-QFIPXVFZSA-N 410.474 1.812 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OCC)C1CCCCCC1)c1cc[nH]n1 1640445597 OWQANYHJXBMMDK-QGZVFWFLSA-N 422.482 1.712 30 10 HDEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1642181470 AHWKJMLNDQTFFY-UHFFFAOYSA-N 416.499 1.983 30 10 HDEE N#Cc1ccc(CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c([N+](=O)[O-])c1 1642320066 UKFRBLFHZPIIFN-INIZCTEOSA-N 406.398 1.963 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC(O)(c3cccc(Br)c3)C2)nc1 1643980185 DSXSLWMYMRXBPN-UHFFFAOYSA-N 422.304 1.693 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 1644438670 SVWCRFJBYUFCTR-OIBJUYFYSA-N 402.266 1.992 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)c1 1645563758 JXLHOSNDFCKRKP-NRFANRHFSA-N 418.494 1.352 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC2(C#N)CCCCC2)cc1 1645581629 PUBLPOBPQNMKEE-UHFFFAOYSA-N 407.492 1.732 30 10 HDEE C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)N1CC(F)(F)F 1646428555 UTZHGOCMMVTDRL-TXEJJXNPSA-N 418.441 1.209 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC3(CCCC3)OC[C@@H]2CN(C)C)CC1 1647787803 NYFOKSXBICLFDO-PMACEKPBSA-N 405.587 1.254 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(F)(F)C2(O)CCCCC2)cc1 1647848695 UZOMZMCGQKWRBR-UHFFFAOYSA-N 401.435 1.283 30 10 HDEE CC(=O)N[C@@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)c1cccc(Br)c1 1650833644 BIKZWGGYVMENBK-WMLDXEAASA-N 407.312 1.978 30 10 HDEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC 1652012921 JRQXTLKYFBPXJU-CYBMUJFWSA-N 422.425 1.998 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 1654363272 QPISJPDJMSXJTB-RBUKOAKNSA-N 402.495 1.670 30 10 HDEE C#C[C@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1654508182 CYAOLNQYZFRWLR-GQIGUUNPSA-N 407.536 1.815 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 1657670149 WTUBGPJIFHFJPL-UHFFFAOYSA-N 402.495 1.892 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1 1664135092 JAFDVGJWFRURJI-PMACEKPBSA-N 419.547 1.805 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OCC 1665221424 FHMPVLXNOTXPJS-CYBMUJFWSA-N 404.510 1.113 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CO1 1685521439 LCTDIOFVQFPWKU-HNNXBMFYSA-N 402.455 1.336 30 10 HDEE COc1cccc2[nH]cc(CCNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c12 1687572841 ZUJDFDXBILWCFU-UHFFFAOYSA-N 408.418 1.119 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1689997322 ZYGGRWPHRBMMMA-OAHLLOKOSA-N 421.523 1.348 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690110291 FZUNBUSVZQYCKC-ROUUACIJSA-N 416.570 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2CC)CC1 1690142365 MLRXUALDYADRJT-LJQANCHMSA-N 424.553 1.129 30 10 HDEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1690322506 HOSRDWDGLGTXLI-UHFFFAOYSA-N 404.478 1.910 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690508188 CURHFNVZUVBFTL-ZWKOTPCHSA-N 407.515 1.106 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1690678062 JLBLJZDKTVMYMJ-ZMSDIMECSA-N 418.542 1.201 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C)CCOCC1 1692779019 AUFOSUGJVCJTLO-GUYCJALGSA-N 414.507 1.147 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1692855070 UVYFEKFBNXJEDA-UTKZUKDTSA-N 416.526 1.551 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccccn4)n3CC(C)(C)O)CC2)c1C#N 1693405886 GPNMLGUFCSDACB-UHFFFAOYSA-N 421.509 1.351 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696345311 MDTXIKBJCYJZQD-VRTBNJGNSA-N 418.498 1.202 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705571098 WPQNEDLSUIJTLW-SYNHAJSKSA-N 408.568 1.654 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCC)C1 1705674447 JFYWGHGPUFCDRN-LVCYWYKZSA-N 419.595 1.904 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1705738287 ROJDMRKECWJKTD-UHFFFAOYSA-N 401.515 1.672 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1NC(=O)CC1(C)C 1705836745 FAALUWPXDOVKHD-INIZCTEOSA-N 417.535 1.886 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705901389 JZTKSPPUFXLUNS-UHFFFAOYSA-N 403.531 1.478 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)C1 1705924061 ACXYDRSJZQEVNH-UONOGXRCSA-N 424.552 1.170 30 10 HDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1706798345 BXKXUTDRRIOOCS-AEFFLSMTSA-N 410.526 1.325 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCOCC(F)F 1708153190 LVUURSMULKMVCI-CYBMUJFWSA-N 418.452 1.814 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N(C)C 1722303576 PQEGQOUQRNWZOV-CQSZACIVSA-N 409.487 1.346 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C(C)C)N1CCOCC1 1722341810 MWHDNGBIUMLAQG-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCCC1 1722446568 DLIIJALFUJSNBF-UHFFFAOYSA-N 421.505 1.776 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@H]1C 1722460915 MUEULONWXHUHGS-MRXNPFEDSA-N 413.547 1.911 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1722673913 JHYOSZZFXZFEEN-FQEVSTJZSA-N 422.599 1.590 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1722696884 CCBBPKOPBKFBPP-HNNXBMFYSA-N 405.462 1.468 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722724586 ANHZGQNQMBHKEG-CQSZACIVSA-N 420.539 1.049 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1723777622 IFIIZBGEDVWMKD-QWHCGFSZSA-N 401.496 1.287 30 10 HDEE CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1727256021 DISBSFVXXOOXMQ-KRWDZBQOSA-N 419.493 1.753 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1729414186 CFHBGYXNNFBVCI-GOSISDBHSA-N 417.473 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740553891 NDJQXSRINMAZDU-FHWLQOOXSA-N 416.570 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1sc(C)nc1C 1740678191 DUPJSFUOXAMOEG-UHFFFAOYSA-N 404.540 1.818 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740816693 KXUSSKOUYWGSNC-OALUTQOASA-N 409.918 1.788 30 10 HDEE C=CCN(c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1)C1CC1 1740908062 JKEJVWVJQVSXSX-UHFFFAOYSA-N 404.276 1.762 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1740963990 DPZXEJOJPKLWHI-FQEVSTJZSA-N 403.458 1.354 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746684473 NIAWZCDYJHEPOV-UXHICEINSA-N 414.466 1.145 30 10 HDEE C#CCN(CCOC)c1nnc(C)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748949495 BRVSHQXRKUUNSN-OKZBNKHCSA-N 419.526 1.697 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCCO)CC1 1748977763 CEFQBNVSPUERMA-NRFANRHFSA-N 405.543 1.237 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCS(C)(=O)=O)CC1 1748984922 WLODELAGYFXLBW-UHFFFAOYSA-N 424.530 1.293 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749096961 ZDWPPQKSVYSRAQ-MRXNPFEDSA-N 422.287 1.618 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749139738 ISNKHFJYTUERIV-SUMDDJOVSA-N 418.542 1.836 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749220463 IKNCCNAONTXQHL-UHFFFAOYSA-N 420.539 1.451 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749408971 OYZXFZIMBAOFBG-GOSISDBHSA-N 413.526 1.891 30 10 HDEE C=CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1749419700 MXQNXDFDXYUEHD-UHFFFAOYSA-N 407.482 1.247 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC(C)(C)OC(C)(C)C1 1749652824 UDDVLGCEZRBRTP-HNNXBMFYSA-N 409.531 1.698 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749734755 MFSHCUNSCIDLHL-MSOLQXFVSA-N 424.567 1.636 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1760104582 AZYVLTVSPOKKNA-ZDUSSCGKSA-N 400.874 1.626 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1760187286 IZERTSQAXJGUCT-MRXNPFEDSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1760195232 ZHWQKIMZFYNPFT-INIZCTEOSA-N 415.519 1.326 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)c1ccccc1 1760200295 BQADMJOGHIVFNH-UHFFFAOYSA-N 422.514 1.615 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1760206089 QRXLVSYOWMSDFP-INIZCTEOSA-N 417.560 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N(C)C 1760223039 IJWFEYIVQPBXIP-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1 1760355210 BMIOXTXGMUJTDT-UHFFFAOYSA-N 407.496 1.167 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2cccs2)CC1 1760525884 VKOSTJDTVWPXET-UHFFFAOYSA-N 423.546 1.954 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1760735333 YSHJFQSREIGAEX-UHFFFAOYSA-N 413.526 1.568 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1766250287 VUJNSTAVWGMRBF-OAQYLSRUSA-N 423.477 1.374 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1767507682 YCMDWFIQQBLPQC-NRFANRHFSA-N 404.478 1.665 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1768495301 BMISKYKQJRNLBW-VLIAUNLRSA-N 414.441 1.683 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@H]1OC 1769843239 CJYKDKFPHFVWOD-DOTOQJQBSA-N 403.487 1.097 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CCCOC(F)F)C2 1771531992 LISRIIJIUGKKPS-LBPRGKRZSA-N 420.420 1.946 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccc(N3CCOCC3)nn2)CC1 1848990991 NZODGQGWSKOBQZ-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CC(=O)NC1(C)C 1849747749 KSMZIEFWHPJNMZ-MOPGFXCFSA-N 416.518 1.953 30 10 HDEE O=C(NCC#Cc1cccnc1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1849996056 DGZYULYLJUQLFE-QGZVFWFLSA-N 401.463 1.789 30 10 HDEE N#CCCn1nc2c(c1NC(=O)CCn1nc(-c3cccnc3)ccc1=O)CCC2 1851430324 HDWPJAFFLXNRIZ-UHFFFAOYSA-N 403.446 1.933 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)OCO2 1851997809 QYAUBTLAYIDIRM-UHFFFAOYSA-N 413.455 1.363 30 10 HDEE C=CCN[C@H](C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 1853460214 ZASIEWVQIGFHDT-RDTXWAMCSA-N 424.567 1.705 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)C3(CCCC3)C2=O)cc1 1853885861 PQZDTXLXBGLGCX-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2c(C)noc2C)C1=O 1854097695 BVJTUMOSMXSXGW-QZTJIDSGSA-N 402.495 1.460 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CC[C@@H](Oc3ccncc3Br)C2)C1=O 1854194891 BZXGXJVVUQMVJT-TZMCWYRMSA-N 407.268 1.728 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccn(CC)c(=O)c2)C1=O 1854225052 RPNVTTGVZGHYTM-ROUUACIJSA-N 414.506 1.108 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cncc(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638894 VCVOHPURSPLXKW-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1cc(=O)n2ccccc2n1 1854917594 WCICRHQYIQHICZ-HNNXBMFYSA-N 401.426 1.439 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1F 1854957031 UYIXBFGAMMKIHQ-NVXWUHKLSA-N 402.470 1.885 30 10 HDEE CCc1nccn1CCC(=O)N1CCN([C@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854997984 KSGMRPDDPGRFDB-MSOLQXFVSA-N 400.527 1.273 30 10 HDEE COc1ccc2ccccc2c1CCC(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1 1855024849 CCLNQQISJCKBNF-OAHLLOKOSA-N 404.444 1.793 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cncc4cccnc34)C(=O)C2)C1 1855045809 HLSZJNSMYQCVEY-SJLPKXTDSA-N 406.490 1.681 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1856041887 WIPHZWQVDGCCFS-IEBWSBKVSA-N 423.579 1.772 30 10 HDEE Cn1cnc2c1CC[C@H](C(=O)N1CCN(CCOc3ccc(C#N)cc3)CC1=O)C2 1856267194 ZGROIWMKNRBIBT-KRWDZBQOSA-N 407.474 1.146 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1856551066 FGEIYKHPCUNQMN-IBGZPJMESA-N 417.531 1.994 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1=O 1856728627 MCWQEQPQFZXDTD-RTBURBONSA-N 414.506 1.719 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)C[C@@H]4CCCO4)C3=O)CC2)n1 1856970159 QPNUKXGFTXMFLM-OALUTQOASA-N 412.490 1.741 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857046672 UBCUUHWPFYTTRH-RDJZCZTQSA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857056613 OHRVLZVRULJLNO-AZUAARDMSA-N 413.518 1.722 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cn3ccc(C)cc3n2)C1)[C@H]1CCN(C)C1=O 1857252945 OHDOPXNDVLZXMV-WMZOPIPTSA-N 409.490 1.350 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cn2ccc3ccccc32)C1)[C@@H]1CCN(C)C1=O 1857274641 QAUCKEADZDHOGL-YLJYHZDGSA-N 408.502 1.735 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)c1 1857441716 BCDVGLZNXHRCCP-ROUUACIJSA-N 409.421 1.772 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1858033045 ANEFFXKKDWJTHP-UHFFFAOYSA-N 419.503 1.783 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1OC 1858322478 SQXWPVLZTMQOFB-INIZCTEOSA-N 415.471 1.768 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 1858651205 JMYSYXRDXSTPCH-UHFFFAOYSA-N 405.451 1.859 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2ccccn2)n([C@H]2CCS(=O)(=O)C2)n1 1870004847 NVBZQEVXQJFRIG-AWEZNQCLSA-N 402.480 1.463 30 10 HDEE C=CCn1cc(OCc2ccc([N+](=O)[O-])cc2)c(=O)cc1CN(CCO)CCO 1870683972 GZBABCGISMRGJK-UHFFFAOYSA-N 403.435 1.308 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC)cn1CCN1CCOCC1 1870692113 BVKYMJFHOLKCLH-UHFFFAOYSA-N 419.522 1.296 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871652828 RDFWVBHMOWWGTM-UHFFFAOYSA-N 422.892 1.851 30 10 HDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC=C)s1 1872649013 FTVQWHHVDCSZPG-UHFFFAOYSA-N 421.435 1.040 30 10 HDEE COc1ccc(-c2nc(C3=C(N)N(CCCNC=O)CC3=O)sc2C)c(OC)c1 1872724751 QHMGZVYETVAFEW-UHFFFAOYSA-N 416.503 1.784 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ncc(Cl)cn3)CC2)CC1 1889305856 JRNFJLIHSCQOQH-UHFFFAOYSA-N 419.957 1.781 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cn1 1889328772 PHFBDDMJMMIEPO-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)c2ccc(C#N)s2)C1 1965838164 NAFUGBAHZIQTCN-UHFFFAOYSA-N 401.510 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2011939021 GZVVBZONDHTVEB-FQEHYLHMSA-N 422.331 1.909 30 10 HDEE COCCOC1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2116138697 PJPGLQLPDBHRKQ-UHFFFAOYSA-N 413.121 1.995 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2118168636 TUVATIDBYKFHKH-MSOLQXFVSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CCS)C(=O)O)[C@@H]2CCO[C@H]2C1(C)C 2180242106 LDKVBNADTGAPAB-DEDUFFMVSA-N 402.513 1.584 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cscc1B1OC(C)(C)C(C)(C)O1 2235499460 GGEIBUTZQOBQFL-LSDHHAIUSA-N 401.359 1.291 30 10 HDEE CO[C@@H]1CC[C@H]1CS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2239412854 SFDZEMIQYCWMKI-SWLSCSKDSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2247863815 WTCVVQSCODTTCT-FOLVSLTJSA-N 417.315 1.909 30 10 HDEE Cn1cc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247917643 KSCIBGFHKHCIBI-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372016 IKCZNPJSUQAFMT-YDGUKXNOSA-N 407.388 1.435 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(S(=O)(=O)C(F)F)C3)c2)OC1(C)C 2281981110 MEDZPHZCOQYRGH-UHFFFAOYSA-N 407.269 1.509 30 10 HDEE CCc1nc(C(=O)N[C@H](C)CC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031750 XCNXKMUCSXYDNV-QYOLQKOISA-N 400.375 1.892 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282180905 YSEIRXFQEVBQCD-HOCLYGCPSA-N 402.300 1.994 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1N 2282317174 NIKPZHRFASBKSF-WDEREUQCSA-N 422.765 1.047 30 10 HDEE CN([C@@H]1CCCNCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282349115 UTJZAXCPRFUJRW-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CN1CC[C@H](CN(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282499890 TVQOOWDZEDNPLY-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCC2COC2)OC1(C)C 2282510733 CYQORVWKQHCMRZ-UHFFFAOYSA-N 401.721 1.954 30 10 HDEE C[C@@H]1O[C@H](C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834277 RILPQVALNWHCOX-WOPDTQHZSA-N 402.347 1.428 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCNC2CC2)OC1(C)C 2282843072 HNHXXLJWPDJXEG-UHFFFAOYSA-N 401.363 1.004 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2([C@@H](C)O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282870421 RRMMMMFZWNMDHR-GFCCVEGCSA-N 401.359 1.856 30 10 HDEE C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410332 STAWHOHAYNDYJW-MNOVXSKESA-N 401.315 1.531 30 10 HDEE C[C@@H](ONS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414386 QOXVXPOYTPEETH-SECBINFHSA-N 405.665 1.322 30 10 HDEE CCCn1nnc(Br)c1CNC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C 2318684352 ABFISWWVROATJO-LLVKDONJSA-N 414.304 1.983 30 10 HDEE CCOc1c(OC)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 2323026630 KHPDASIZOUQBAX-UHFFFAOYSA-N 423.407 1.142 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@H](O)c1cc(I)nn1C 2361370690 MQUPKUREXJUNRM-GWCFXTLKSA-N 405.305 1.935 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367783739 KPVVKMXJZYNOCX-HRCADAONSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C1CCOCC1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367786171 HPDBHJKRYIMIAI-JKSUJKDBSA-N 401.525 1.495 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2367786655 IJLNKYUKATYNIF-OWCLPIDISA-N 400.541 1.475 30 10 HDEE CN(C[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)C(=O)OC(C)(C)C 2367793897 FEGZBSZXWQYGPS-QGZVFWFLSA-N 403.497 1.684 30 10 HDEE CO[C@H](C#C[C@H](O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369532702 HKSUJTSXMOVMPN-IXDOHACOSA-N 403.541 1.884 30 10 HDEE C[C@H]1[C@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1O 2370705357 IDSUHKVFDNYNTI-SGMGOOAPSA-N 401.359 1.827 30 10 HDEE CCOC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CC[C@H]2SC(=O)C=C2C1 2378927201 MMXJQNZWMWPODW-FZKQIMNGSA-N 400.497 1.645 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCO3 13795169 WBHVVPXYYLHYPY-AKDSAVJFSA-N 421.500 1.306 30 10 HDEE O=C(CN1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1)N1CCOCC1 28007122 MQXPBKUTOGIIHD-UHFFFAOYSA-N 417.509 1.703 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1C 111215880 MDKBQIFJBQWRRQ-IBGZPJMESA-N 406.552 1.616 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 404965005 LEXRSRGXEONAES-LLVKDONJSA-N 403.331 1.370 30 10 HDEE COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)N1CCO[C@H](C#N)C1 410388814 SHXHLMGQDSDVNP-CMPLNLGQSA-N 404.286 1.577 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 435432189 MDOGFDOLBWXBOV-UHFFFAOYSA-N 422.513 1.187 30 10 HDEE CSC[C@H](C)C(=O)N1CCC(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 441544373 JOIMSSRPPFERGF-INIZCTEOSA-N 415.563 1.840 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)CC1 463007063 DGAHBWWVSAWGPQ-QZTJIDSGSA-N 418.519 1.532 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCNC(=O)c1ccccc1 465222703 HPCWBTLFIRLHPC-MRXNPFEDSA-N 407.478 1.388 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(c4nc(N)ns4)CC3)cc2)nc1 467864730 OVMDFLWEHNWBMZ-UHFFFAOYSA-N 407.459 2.142 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 469754912 WZDPHQXHRPAZNT-WSTZPKSXSA-N 415.538 1.349 30 10 HDEE Cc1nc(CC2CC2)oc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475345931 MDCASJOBERXUGG-UHFFFAOYSA-N 414.487 1.954 30 10 HDEE CS(=O)(=O)c1csc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 489241442 QXVYAURGAJVJGY-OAHLLOKOSA-N 403.485 1.554 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1F 489867928 CVWDNOGTAWOPEI-LSDHHAIUSA-N 415.446 1.895 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 514492412 WRILLCPIXDHPJH-QGZVFWFLSA-N 411.527 1.427 30 10 HDEE CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(Br)cnn2C)c1=O 515364975 BIZCFBAOUJVYMZ-UHFFFAOYSA-N 423.336 1.544 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 518975410 ZOIZFTYRDDWHBV-QGZVFWFLSA-N 405.520 1.626 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)nc1 532448944 YZOFIPBQLTVFKF-UHFFFAOYSA-N 406.467 1.522 30 10 HDEE CCOC(=O)c1c(NC(=O)c2cnc3c(C)cccn3c2=O)c(C#N)cn1CCOC 537435480 ZLULJLHVUSGVOM-UHFFFAOYSA-N 423.429 1.752 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 539697911 HFBHPGXFANXTJH-CYBMUJFWSA-N 417.462 1.958 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)CCCC1 544748164 CXZDAMUSKHYLCD-UHFFFAOYSA-N 410.584 1.714 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)nn1 545880606 LQUANDZGPDGFLT-HNNXBMFYSA-N 403.464 1.047 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)C1 554339885 CIQBYVIOFOIASX-QYZOEREBSA-N 419.551 1.739 30 10 HDEE COC(=O)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(OC)cc1OC 556159326 DRRHWPNWVNYRFZ-HNNXBMFYSA-N 412.402 1.330 30 10 HDEE N#Cc1ccccc1-c1ccc(CNC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 561013759 GTPLGULSMFSOHX-UHFFFAOYSA-N 413.499 1.964 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 575413217 UGLKBUMQBFTQMJ-ZDUSSCGKSA-N 422.484 1.889 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)c2C(N)=O)C1 586297912 AHAVUQFRPGMMFL-DNMZCBJRSA-N 424.548 1.031 30 10 HDEE COc1ccccc1CN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586863466 NRWVUGAPTSPJOS-UHFFFAOYSA-N 410.449 1.667 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc([N+](=O)[O-])ccc3OC)N2N1 588226878 IZTSBDVCTZGVPW-GOSISDBHSA-N 423.454 1.666 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cc(F)c(C#N)c(F)c1 588822520 JPCFLKDKRCWGRP-SFHVURJKSA-N 406.389 1.068 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 610035186 TWBKTKMCDNQJJH-GOSISDBHSA-N 415.519 1.797 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 611145549 WXHUZYMJBDDDKY-UHFFFAOYSA-N 409.446 1.511 30 10 HDEE N#Cc1cc(CS(=O)(=O)c2nnc(N3CCCCC3)n2C[C@H]2CCCO2)ccn1 618559932 MGIPDWJBJIVHMH-QGZVFWFLSA-N 416.507 1.688 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 619741279 STKUFFUSSURBQF-HNNXBMFYSA-N 401.427 1.182 30 10 HDEE O[C-](O)C1CCN([C-](O)C2=C=C3CO[C@@H](C4=C=C(Cl)C#C[C-]4Cl)CN3N2)CC1 642813341 OHWQNUUGBOLYJN-QGZVFWFLSA-N 423.276 1.816 30 10 HDEE C#C[C@]1(O)CCN(S(=O)(=O)c2cc(Br)ccc2Br)C1 708122640 SXMPCJDYOLOPOC-LBPRGKRZSA-N 409.099 1.970 30 10 HDEE COCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727628581 UUTKWBIIXVAXMC-SFHVURJKSA-N 400.479 1.422 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2CCC2)cn1 730144928 USUVJDJARIZDON-MRXNPFEDSA-N 406.556 1.703 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1cccs1)N1CCCC1 732441005 BIBLHQJFLFDNDA-YWMAMYRUSA-N 403.508 1.711 30 10 HDEE CC(C)(C)OC(=O)N(CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C1CC1 732460640 BNQYFBPLQNMRQW-NXVVXOECSA-N 407.471 1.212 30 10 HDEE Cc1cc([C@@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 732495524 XSHQUMXMLGPXDY-YLJYHZDGSA-N 403.442 1.745 30 10 HDEE C#CCN1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 733162405 OVRSNRPOCCACOM-UHFFFAOYSA-N 404.264 1.213 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 742294781 DMBDCGAJUJGXRC-CCEZHUSRSA-N 414.281 1.562 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 744724329 KKUTUQULMOCWAS-HTZUNMPGSA-N 401.463 1.983 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(F)(F)F 748000773 YARYHOOFSZINAU-AAEUAGOBSA-N 407.414 1.323 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(C)nc3)C[C@H]2[C@H](C)CC)CC1 749550502 KGQPNPPRNYMDEG-OFNKIYASSA-N 411.594 1.700 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CC1 750617887 YTKDNXAYJJJXFF-NDEPHWFRSA-N 418.441 1.766 30 10 HDEE CCN1CCN(c2ccc(CNc3cccc(S(N)(=O)=O)c3C#N)cn2)CC1 754976479 KKTAWPDZKAIDKT-UHFFFAOYSA-N 400.508 1.355 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 758613340 UDCFLVRABCLKQK-OAHLLOKOSA-N 411.501 1.978 30 10 HDEE Cc1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)n1Cc1ccncc1 763012584 DGKDHMTZIAOZRX-GOSISDBHSA-N 414.487 1.128 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1ccc(C#N)cc1F 768392439 RRAMTEJMIIFCQL-KRWDZBQOSA-N 406.458 1.979 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1ccccc1 769521245 JXDZLFJNGUJECM-HXUWFJFHSA-N 405.451 1.982 30 10 HDEE C#CCSCCNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769656101 FYYFIRBEMJCDNV-UHFFFAOYSA-N 414.477 1.304 30 10 HDEE Cn1cc(/C=C/C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 771324953 IIMJPBHVPBJUMJ-JXMROGBWSA-N 408.332 1.591 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCCC2)c1C)[C@H]1CCS(=O)(=O)C1 774038451 JKRHYURRGQAOFO-INIZCTEOSA-N 403.504 1.885 30 10 HDEE C#CCN(C(=O)NCCOc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 774194449 FQYKMKRKVWFDRF-CQSZACIVSA-N 415.309 1.660 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OCC[C@H]3C2)CC1 776012434 ZFJKELBJUBOBJF-OALUTQOASA-N 415.469 1.061 30 10 HDEE C[C@@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC(=O)NCC(F)(F)F 780178126 QZZFKOWTXBUHNL-PSLIRLAXSA-N 409.361 1.568 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780882117 JPFVJIYFBDMSPP-HXUWFJFHSA-N 409.442 1.593 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC[C@H]2CCOC2)cn1 784123200 BNRNAGRUFUBJJW-XJKSGUPXSA-N 405.524 1.930 30 10 HDEE C=CCNC(=O)COC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 810833714 ASLSTHPTXXJXHU-RCCKSBRTSA-N 420.465 1.311 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)c(OC)c1OC 1126728789 BVTOVMJUFIJEOO-UHFFFAOYSA-N 424.457 1.886 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nn1 1129930872 VCPNGLBRGUYEDP-UHFFFAOYSA-N 405.480 1.187 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OC 1132197099 NAZIOIDCVGHDBH-VBKZILBWSA-N 403.435 1.086 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(CS(N)(=O)=O)c2)c1 1136500210 HIOOUNFRUCGQMQ-UHFFFAOYSA-N 406.485 1.524 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1137954935 YVILWAZQRZVOQD-HNNXBMFYSA-N 401.529 1.223 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)nc2cc(O)nn2c1C 1146298177 AEWYZLPPCHECEV-HNNXBMFYSA-N 401.467 1.975 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(N)=O)C2CCCCC2)s1 1148936703 DWWQDGRJQKDMIM-OAHLLOKOSA-N 413.565 1.695 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1 1150882875 YPHSTZKYXNXUEB-HOTGVXAUSA-N 419.503 1.432 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2nscc2I)cc1 1155847059 QREJIRABQKRQHK-UHFFFAOYSA-N 403.201 1.797 30 10 HDEE COCCOc1ccc(Cl)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159490125 LNNDQYCZATZANJ-UHFFFAOYSA-N 404.810 1.196 30 10 HDEE C#C[C@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1159634640 OXYKPDJUOSDOCR-AWEZNQCLSA-N 424.295 1.881 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)OC 1161364984 MGURSRCDHNWOSU-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(=O)OC 1161365247 QKFXBMFVQIUCRT-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE CC(=O)N1C[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 1184272381 ILVBRVNCWWGLDT-IBGZPJMESA-N 423.425 1.705 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCn2c(nnc2-c2cn(C)cn2)C1 1197033738 XRCVPHIQHJMFFB-HNNXBMFYSA-N 422.468 1.969 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)C1 1201996439 HJPQGOHXZHDSQL-HNNXBMFYSA-N 419.913 1.377 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1224267020 UUXNELGAWDKWLQ-LBPRGKRZSA-N 406.382 1.403 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1 1227633752 ZZZYKCMRYHHEGZ-QZTJIDSGSA-N 411.462 1.189 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 1228071472 NBRBOKPVQIHZOD-OAHLLOKOSA-N 421.306 1.596 30 10 HDEE CN(C)Cc1cnc(/C=C\C(=O)c2cccc(S(=O)(=O)NCCC(=O)O)c2)s1 1257398819 IDZTUJPSBVWEJB-SREVYHEPSA-N 423.516 1.854 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1286433102 KTRZKFRTRJFJGM-UHFFFAOYSA-N 404.478 1.603 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC)CC1 1286478777 FZCUIBGVPAXNFH-SFHVURJKSA-N 408.506 1.431 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(C)CCCO2)CC1 1286491361 ONJHBXDBIYDQIS-QHCPKHFHSA-N 422.533 1.799 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1 1286517807 WFYWAKJJGJGYCF-FOIQADDNSA-N 417.535 1.937 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286537725 CGRGACPPUCBLAK-INIZCTEOSA-N 406.288 1.606 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286613277 WIKAUBRSMVJOLY-INIZCTEOSA-N 400.545 1.811 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286774198 BTPBUCNSHHMXHA-MRXNPFEDSA-N 400.458 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286819839 XJVQXIZDMJEVSV-RZQQEMMASA-N 424.567 1.919 30 10 HDEE Cc1cnc(O)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1289518743 DOFIZDIVSZIUIT-UHFFFAOYSA-N 414.487 1.684 30 10 HDEE CCOCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297095780 HQHOQPZMHUACQF-RHDHSSKXSA-N 402.499 1.823 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1300272210 LUOVPJGSYTXMJE-GJZGRUSLSA-N 405.524 1.793 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1300275927 CKUVZCSRMIEWKR-DZGCQCFKSA-N 413.478 1.707 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1300366572 NFLNFSOBBYLASK-UHFFFAOYSA-N 419.555 1.197 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1300557695 VHFUORUPQBETHB-KRWDZBQOSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1ccnc1C 1300559531 RYLMVUGNJAGQSN-QFIPXVFZSA-N 410.522 1.987 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300700674 UHEDDBRLPIPUHX-UHFFFAOYSA-N 421.611 1.979 30 10 HDEE COCc1nc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1301210469 RVLPDFYHKFTYIY-ZFWWWQNUSA-N 404.496 1.552 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1301916310 IUTNWVWFKPNICZ-LJQANCHMSA-N 419.493 1.776 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(CCN(C)C)CC1 1301951596 BOBCHCVWKOWWDV-QGZVFWFLSA-N 418.590 1.286 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)N(C)C 1302312394 UDOCKAJQJYMGFX-NEPXVJNWSA-N 417.558 1.129 30 10 HDEE C=C(CN(C)C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1302898083 PQTBLGZIARYWOV-XHSDSOJGSA-N 408.499 1.145 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 1304317908 CMLKMHLETDINMH-RBUKOAKNSA-N 419.507 1.526 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(NC(=O)NC)CC2)cc1 1310131909 VIPQVVRJZXBWMM-UHFFFAOYSA-N 409.512 1.418 30 10 HDEE COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316107791 GXBUVTOJUFAOTJ-INIZCTEOSA-N 413.457 1.213 30 10 HDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1316256521 WGQRBGQRJABPDC-LJQANCHMSA-N 410.478 1.989 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)C1 1320063901 KLAFESIJPBZSNM-KRWDZBQOSA-N 409.552 1.642 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1320074717 NIJDZXNIVRGZMO-IBGZPJMESA-N 407.536 1.967 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1350773707 GXUBGGBHRINBIT-CZEALIGGSA-N 406.508 1.909 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1358874362 WSKUJTDSHNKMGJ-HRAATJIYSA-N 403.527 1.695 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1359010545 SQDOKMLFCTYSEQ-JKSUJKDBSA-N 409.556 1.192 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359125865 WGMKURAPTUFBOJ-KSZLIROESA-N 402.499 1.680 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1359130821 WZGKMNUIEIMRTH-UHFFFAOYSA-N 414.510 1.664 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359304694 GLSPOTWIWNRXLE-MRXNPFEDSA-N 412.494 1.135 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)C1 1359310806 HKGDXVJMFASQPD-SFHVURJKSA-N 424.505 1.443 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(Br)cc1 1450271218 KKQCXAHOUYMLFN-HNNXBMFYSA-N 422.304 1.800 30 10 HDEE N#Cc1cnc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(Cl)c1 1456596479 HMXDFIAZNAPKCI-UHFFFAOYSA-N 412.899 1.310 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1456787379 UDYZFSQHSKKMJQ-HNAYVOBHSA-N 409.324 1.839 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1 1460026838 LBUYRMNONKFQRF-UHFFFAOYSA-N 408.476 1.554 30 10 HDEE Cc1c(C#N)c(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nn1C 1461175444 VGZMRLXFLQBEJX-UHFFFAOYSA-N 416.235 1.988 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 1462270587 GWUUSJCYBNUBCQ-UWJYYQICSA-N 417.462 1.718 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1463102640 UJIFJVUKKGDRNV-FQEVSTJZSA-N 413.499 1.864 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OC 1464252622 BGLHRKFCONMWGR-GFCCVEGCSA-N 415.411 1.766 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)c3ccccc3C2=O)c1 1464469542 BVTNVPOJILLUJM-UHFFFAOYSA-N 415.402 1.149 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(=O)N[C@@H]4CCCC[C@H]43)CC2=O)cc1Cl 1466028044 ICLCISCRQNPJBE-KBRIMQKVSA-N 400.866 1.834 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccsc3S(N)(=O)=O)C2=O)cc1 1466821403 GMBOQURNYPQDPB-CQSZACIVSA-N 404.473 1.193 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)/C=C/C(=O)c1ccc(C)cc1 1468774519 CPDWZIXALAGHKA-RIEFBQKVSA-N 404.488 1.703 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1471234386 MZEWMJBUYBPLQV-HDJSIYSDSA-N 408.480 1.901 30 10 HDEE N#Cc1ccsc1N1CC[C@@H](N2CCc3sc(S(N)(=O)=O)cc3C2)C1=O 1473658384 GRAIRWQEDVGTON-GFCCVEGCSA-N 408.530 1.492 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 1475882038 PWQROTCBLQFFFC-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(O)nc1=O 1479613851 ADBWDCLPFHUBRG-UHFFFAOYSA-N 414.441 1.572 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2Cc2ccc(C(N)=O)nc2)cs1 1492671875 HCGWKENPRGMMKS-UHFFFAOYSA-N 422.518 1.916 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1497971465 GPJVPHHYEQFKQA-PXNSSMCTSA-N 410.522 1.957 30 10 HDEE COCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1505051375 PQSHSHPOOPIYOT-QGZVFWFLSA-N 405.886 1.914 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1c1cnn(C)c1 1507605793 VEIJXNMADDAAPQ-QGZVFWFLSA-N 412.542 1.668 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1507643134 IEELBJFJLPRRQH-GOSISDBHSA-N 418.295 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCOC1 1507661933 MSLKPHBIRJHOEB-HSZRJFAPSA-N 416.485 1.950 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507731102 ALGPBJTVMCQLPZ-NQIIRXRSSA-N 418.611 1.712 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507750801 FLMDAKPGDKPDNA-DLBZAZTESA-N 405.568 1.842 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1507797480 LRPGSVDFNJNFAN-XWSJACJDSA-N 403.527 1.868 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507848279 IUDAVPNOFWTTOG-UTKZUKDTSA-N 422.526 1.911 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1507864144 RIPGESYCBIAWQU-UHFFFAOYSA-N 401.876 1.239 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1507925731 HGSWKHHXXCWPOF-MRXNPFEDSA-N 421.509 1.944 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507953159 CYGMTOFIIFQXGQ-CABCVRRESA-N 416.569 1.160 30 10 HDEE CN1CCN(CCn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1517417663 HLVDQQNFJRUBSG-NRFANRHFSA-N 412.517 1.808 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1COc2ccccc2O1 1519165886 QWDIMXTWRJRXSI-IRXDYDNUSA-N 413.478 1.988 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C)C1CCN(C)CC1 1536121596 BPRBJRKEOHHCCT-UHFFFAOYSA-N 411.506 1.771 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCCO 1538983019 MYIOVYLRIYPNMB-HNNXBMFYSA-N 406.508 1.206 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539006370 XWDSREPPRAOWGG-WMLDXEAASA-N 409.494 1.829 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1539078068 RSLPBIMQIBTXLN-UHFFFAOYSA-N 405.506 1.989 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539215633 HIXDJKFBQWMDMI-JKSUJKDBSA-N 403.508 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1539324220 QYZAGEGPDATAOW-QZTJIDSGSA-N 419.551 1.407 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@](C)(O)C2CC2)CC1 1539453708 CGBFDNOZQJNOLU-QHCPKHFHSA-N 409.534 1.816 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1539498228 RCWGHEOYGQTRSB-INIZCTEOSA-N 409.556 1.427 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539532974 IFUGSDNDPXXECP-CVYDXHPNSA-N 419.551 1.083 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539999151 BBNKOWCJFQCJNR-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1540125971 DHTDQDFPGRREIC-XMSQKQJNSA-N 410.522 1.488 30 10 HDEE C=C[C@@](C)(CC)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1540537068 FMVVKDSVOPATRO-FQEVSTJZSA-N 422.551 1.353 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540880726 OUQVPKLOLFPLOX-QGZVFWFLSA-N 424.505 1.926 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1541799898 OVPUWFKASVIZDM-YVEFUNNKSA-N 424.914 1.281 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1545128969 BRJKLNGSGJWUAB-AWEZNQCLSA-N 420.564 1.650 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN2CCC(CO)CC2)n1 1546216357 OXWHMPWCRJYNNL-UHFFFAOYSA-N 408.553 1.443 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1548281087 VYZXPKZMHJCQFP-UHFFFAOYSA-N 420.521 1.757 30 10 HDEE CCO[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CN(C)C 1558265501 MTUVKCSZUICPOG-MRXNPFEDSA-N 409.328 1.840 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 1559057990 VTSAEMXGBAYLRN-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2c(Cl)cncc2Cl)c1=O 1559448799 QJAIJCMASZOLDG-UHFFFAOYSA-N 411.245 1.973 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 1565814904 NABZTELBHOHQKT-UHFFFAOYSA-N 407.511 1.781 30 10 HDEE C#CCN1CCCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1565815839 UEBHYLLURMKVDK-SFHVURJKSA-N 408.543 1.210 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H](c1ccccc1C)N(C)C)c1cc[nH]n1 1567695700 DDNLMKXPIVNUQK-QRWLVFNGSA-N 415.494 1.810 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)cc1 1569016792 IRHBTOYSXUJAHI-SFHVURJKSA-N 411.487 1.831 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1573089112 MWIVLINBKAYDEM-CTISPVFFSA-N 418.538 1.217 30 10 HDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CSC1 1584180339 MGGQOYRNURSLDN-UHFFFAOYSA-N 408.545 1.217 30 10 HDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1585217896 FMHCIHCMCQGXQO-AEFFLSMTSA-N 407.426 1.517 30 10 HDEE C#CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1586023092 LLTDFSFEVQTEKG-LFDOHDQPSA-N 405.472 1.327 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1586253914 FFVJLNYQXSGOOO-LJQANCHMSA-N 400.439 1.114 30 10 HDEE N#CCc1ccccc1CC(=O)NCCNC(=O)c1ccc(Br)cn1 1587201540 KOZQIFOVAGLMAD-UHFFFAOYSA-N 401.264 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1587555921 KNOVZBHOCUTUQZ-MRXNPFEDSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1587979552 SQECBARZTGPFTA-QZTJIDSGSA-N 409.490 1.823 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2cccn2)c1 1587989185 HQOHKNIOKYNGQQ-LJQANCHMSA-N 424.530 1.543 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCOCC1 1588170665 LPUCGZYTEYZZTE-AABGKKOBSA-N 415.538 1.043 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)c1 1588566176 CLZVKRXUURXYGW-UHFFFAOYSA-N 401.444 1.758 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1589599851 NUQRUQFRRRTVBS-NHCUHLMSSA-N 407.559 1.788 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1594218733 QNBWYNHNHLJVQR-HXUWFJFHSA-N 402.520 1.897 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595871695 WNCQVCMKCPDRRF-KGLIPLIRSA-N 413.569 1.162 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1597332263 LKXKOOWQCSFCGL-INIZCTEOSA-N 417.462 1.010 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CON(C(=O)OC(C)(C)C)C3)cc2C1=O 1602840552 YQCRHXVIUARKKE-ZDUSSCGKSA-N 401.419 1.749 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1 1606868149 KXLDXLYOHAKWLU-MUUNZHRXSA-N 408.524 1.759 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1609532160 JTSXDNHPQJNKHL-IAGOWNOFSA-N 424.461 1.846 30 10 HDEE CO[C@@H](Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccc(F)cc1 1614780732 AWVQLBUZEFYYKQ-INIZCTEOSA-N 403.410 1.750 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1614856331 GDEXGXNVAPSNOU-QZTJIDSGSA-N 415.542 1.507 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)OC(C)(C)C)C(C)(C)C2(C)C)CC1 1615208546 CSTSDPPORYIHPS-UHFFFAOYSA-N 419.566 1.664 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1615803286 IADOEOCMGNBARU-DLBZAZTESA-N 424.571 1.031 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 1618697842 HWMALDPMEUQGSC-VJBWXMMDSA-N 409.578 1.885 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCOC1 1620018300 BZWPRRYWZVHVJI-APWZRJJASA-N 416.526 1.525 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cnc(Br)cn3)CC2=O)cc1 1627400306 WJFZVPDTDKYTDN-GFCCVEGCSA-N 400.236 1.780 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](NS(C)(=O)=O)C3)n[nH]2)c1C 1630814615 JCGRJHYTELZOJA-AWEZNQCLSA-N 406.512 1.230 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1631719882 OAZYTKWPFRAGFU-AWEZNQCLSA-N 415.968 1.722 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]2CCCO2)C1 1634209180 QDYJHHICTZLRBV-PMPSAXMXSA-N 409.483 1.706 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1634610433 FOWHSRKTDAAGEZ-OAHLLOKOSA-N 410.515 1.669 30 10 HDEE C=CCC1(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1 1636474663 RSLBAVLOGCQTRL-UHFFFAOYSA-N 414.549 1.621 30 10 HDEE C#Cc1ccc(NC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)c(Cl)c1 1636516700 ZMGOHWYRWQIZHK-UHFFFAOYSA-N 411.849 1.994 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 1638678778 RWJJWTNEQKXTQD-UHFFFAOYSA-N 413.518 1.770 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1638691796 PXCWDQDWGDCTEV-ZFWWWQNUSA-N 415.416 1.233 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCCF)CC1 1639825445 WJDANYMLRYMLCF-QGZVFWFLSA-N 424.542 1.644 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1=O 1641282204 MMRHAQLKBJGQND-UHFFFAOYSA-N 418.409 1.009 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)Cc3cncs3)C2)C1 1641768525 FWHBVPRDDUOVTM-FEDUSRTKSA-N 420.535 1.950 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1643961019 SAUNIOATOSLNQZ-MRXNPFEDSA-N 423.535 1.553 30 10 HDEE CN(C)CCC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 1643980432 IPRFTDXPCRBNNT-RBUKOAKNSA-N 419.595 1.500 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1 1645561258 LFBUXWYFILDKHQ-CXAGYDPISA-N 407.492 1.463 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 1646112299 BMEHOBXKQFNPJO-KRWDZBQOSA-N 423.535 1.388 30 10 HDEE C[C@@]1(c2cccc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)c2)NC(=O)NC1=O 1648719296 KENAZGQELRDKQZ-FCHUYYIVSA-N 403.442 1.834 30 10 HDEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1C#N 1649377990 UBJGDWZDYBJZEJ-ZDUSSCGKSA-N 419.528 1.869 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1654508185 CYAOLNQYZFRWLR-YRNRMSPPSA-N 407.536 1.815 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1660987751 CILJGCOIWHPILN-INIZCTEOSA-N 410.451 1.354 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1663135627 HUAKQSOAXTVGIW-ZWKOTPCHSA-N 412.508 1.128 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C1CCOCC1 1665156559 RVYHLMUYMGZJJU-MRXNPFEDSA-N 412.533 1.178 30 10 HDEE N#CC1(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCOCC1 1679279686 UYXVMBLSSZWMBH-UHFFFAOYSA-N 406.917 1.299 30 10 HDEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CNC(=O)NCC(=O)NCC#N 1682372787 AREHGRJOSCRVMA-MRXNPFEDSA-N 401.467 1.287 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)C1 1685264660 MTKQCTOSMVMQOK-FQEVSTJZSA-N 411.550 1.612 30 10 HDEE CCc1noc([C@H]2CC[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)n1 1685474414 OFDZGMMRDRUAQH-GJZGRUSLSA-N 412.498 1.714 30 10 HDEE C#Cc1ccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1686526396 ZIHGOOHAXVJUHJ-UHFFFAOYSA-N 416.459 1.696 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1687806219 AKQDVLANUMTJRZ-MOPGFXCFSA-N 406.552 1.187 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1689876593 FDSPLXOHOCYTNC-OKZBNKHCSA-N 403.527 1.863 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689913383 NGQUNOQFSAVZGC-SFHVURJKSA-N 418.542 1.753 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1689943349 QIQZLAARJZJCOP-UHFFFAOYSA-N 408.506 1.468 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1689985788 BLTBKYXBWRTHDD-KRWDZBQOSA-N 417.535 1.520 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1689991114 WCDPQJQQTDTJGR-CVEARBPZSA-N 420.560 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1690009988 RLZTXKWUGSSUAS-UHFFFAOYSA-N 424.468 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCOC1=O 1690034234 BASYKFXGXBRCGC-OAQYLSRUSA-N 415.494 1.235 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1690070698 FYILZGRVDHAZRD-UHFFFAOYSA-N 414.535 1.788 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690114768 GPMAKTIIQDEOLY-VQTJNVASSA-N 411.506 1.249 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(F)c2)CC1 1690122388 POAPAMRSVBUTQT-KRWDZBQOSA-N 400.433 1.311 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)C(C)C)CC1 1690145908 AQLJNLGWAHKELK-GCJKJVERSA-N 417.554 1.545 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690268355 HIGZYRPWLZBEGF-LJQANCHMSA-N 405.524 1.216 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690470605 GWGSVMZJXKDYOA-OAHLLOKOSA-N 418.523 1.905 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690508163 CFLPBLGSVSCYNU-SOABOVLPSA-N 424.567 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCOC(C)(C)C 1690669637 KTNCHGGHAYUVHN-UHFFFAOYSA-N 418.498 1.559 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1690697108 PANDCHDNVOTCOU-SJORKVTESA-N 409.556 1.751 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690753052 YTPTXOMXGVMUCD-ZOBUZTSGSA-N 409.556 1.588 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC(F)F 1692780034 BJVREUJKQOHOJW-BLLLJJGKSA-N 420.486 1.648 30 10 HDEE CCc1nc(CCn2c(-c3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)no1 1694587292 GLZKERBYIGMXOI-CQSZACIVSA-N 409.450 1.871 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC[C@@H]1C 1697694973 MMGDFPOMHOLXMD-MAUKXSAKSA-N 422.493 1.767 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705551237 JWNHRJKKWNHWDW-WMZOPIPTSA-N 419.526 1.692 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705566043 LNDCWPRNDFNDBA-MRXNPFEDSA-N 403.508 1.630 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1705586621 PRGDUOXYCJEIMU-GAJHUEQPSA-N 403.486 1.963 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1705612350 FJUMFHMTOQSQAQ-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)CCC)CC1 1705641214 WULTVJOYHLXQRJ-FQEVSTJZSA-N 402.568 1.940 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCSCC)CC1 1705644611 WWEYXRXJGFXRCK-UHFFFAOYSA-N 420.583 1.525 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705932195 OQJKUGQNTFNXRC-HNAYVOBHSA-N 421.523 1.258 30 10 HDEE CCn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1710198165 NOMWBNJFUQQOPA-CYBMUJFWSA-N 414.420 1.536 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)NCc1ccco1 1712624445 JZSODWJZNIEFLS-VKJFTORMSA-N 416.482 1.507 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@@H](C)C(=O)N(C)C(C)C)CC1 1716807988 FACDNVBQLUHWSP-MLYQTUFZSA-N 401.551 1.591 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1722291828 FGPZGJCURQXUFW-QZTJIDSGSA-N 406.527 1.842 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1722296031 MXVSQAYIMUYDES-ZBFHGGJFSA-N 423.564 1.487 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C1CCCC1 1722347904 RVWGXGRUUJFAMN-UHFFFAOYSA-N 405.510 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1722421570 RKZQUINTXVQTDV-UHFFFAOYSA-N 422.489 1.185 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722522964 PJVKWYKCRQFGCK-NEPJUHHUSA-N 400.405 1.310 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652092 BYODSPZXKOYNKD-MRXNPFEDSA-N 416.551 1.700 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)C(F)(F)F 1723953774 GPBDRUQNFPYWMD-GHMZBOCLSA-N 424.449 1.206 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1O 1731136253 FLEVRJVTZGQFDI-KUHUBIRLSA-N 417.473 1.566 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1740551302 SXCGRPDBLJWZGG-LSDHHAIUSA-N 405.499 1.569 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740617664 VBKPYDRLQXJDIA-KZNAEPCWSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@](C)(O)CCOC 1740632840 PRBKDGFAXPTOIV-SFHVURJKSA-N 420.311 1.896 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC1(OCCOC)CCOCC1 1740636147 UUFHLWDROAGCJX-UHFFFAOYSA-N 409.490 1.625 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC1(OCCOC)CCOCC1 1740637886 BQJKUGCEOQSYLC-IBGZPJMESA-N 416.522 1.805 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC1(OCCOC)CCOCC1 1740637888 BQJKUGCEOQSYLC-LJQANCHMSA-N 416.522 1.805 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)C1CC1 1740688518 WHBDEHOWJBIFFZ-QZTJIDSGSA-N 417.554 1.809 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC(C)(OC)C1 1740965088 ZFAOFFILACCPRQ-UHFFFAOYSA-N 401.467 1.393 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)n1 1742677431 DOSIWXVRRRIHJJ-HNNXBMFYSA-N 419.555 1.703 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCCN2CCOCC2)n1 1742679583 QPLXZFPHYQUZSY-KRWDZBQOSA-N 414.558 1.848 30 10 HDEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1742870827 GGCYQOUZYMWNON-QGZVFWFLSA-N 405.462 1.976 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)O1 1744205043 UIWZDKMEXZNOFD-RZQQEMMASA-N 402.499 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC(OC)CC1 1748634724 JLCSUXLRHMQFGU-INIZCTEOSA-N 404.559 1.764 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1748918319 AMNPNZKHVUNQCF-UHFFFAOYSA-N 416.503 1.777 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1748929907 SIIHYOCORDMZSZ-KRWDZBQOSA-N 418.567 1.993 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1749034001 UHKDZLCCNMGVHZ-CYBMUJFWSA-N 416.507 1.039 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749210150 CUKMEXZQGFZXOO-MRXNPFEDSA-N 404.515 1.069 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)CC1 1749342775 OGQLBHSMGBQFHS-QGZVFWFLSA-N 423.583 1.745 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)C1 1749711756 CAGAOEZMJIDVAB-IRXDYDNUSA-N 424.567 1.921 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCCC2=O)CCO1 1750385972 FDZGOOYYLFHVEA-ZWKOTPCHSA-N 416.526 1.694 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1760116034 DNAHSBHBBMBGRY-NXEZZACHSA-N 411.272 1.626 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760186545 OPSPOBUITNOHHP-GOSISDBHSA-N 416.547 1.575 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1760188018 YZPWUXNPAXPOTN-HNNXBMFYSA-N 419.555 1.153 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760278880 KGLKXVAMVFGSJG-KRWDZBQOSA-N 400.552 1.798 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760278897 KUUHQFYRIOOLEN-SFHVURJKSA-N 409.519 1.808 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760436194 LTORKWYDAJCUET-MRXNPFEDSA-N 410.526 1.490 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1760453586 AVJZCQYFMIKXPE-UHFFFAOYSA-N 406.512 1.761 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1760503338 GGHMFPYHIVCTFX-MRXNPFEDSA-N 422.599 1.695 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1760525327 BHEKYZKNILFMQU-LJQANCHMSA-N 410.522 1.819 30 10 HDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)c1ccco1 1761509060 FFTUODABPBDPQA-HXUWFJFHSA-N 411.487 1.886 30 10 HDEE Cc1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762607565 SKTMEHUFFKAODQ-FMQUCBEESA-N 407.478 1.569 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1763514666 MXOKUTULPURXDR-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1767482088 GTCBCZJYYHNLFC-GHTZIAJQSA-N 418.542 1.535 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC[C@H]1C 1769092336 YZBYMDIIAXRJJA-RHSMWYFYSA-N 403.508 1.723 30 10 HDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCN(C)C1=O 1848977574 TVKAYXZJLPOOSR-ZWKOTPCHSA-N 421.563 1.832 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1849812307 ROLDQKGRGGGUIO-AWEZNQCLSA-N 406.446 1.057 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CCC(=O)Nc3ccccn3)CC2)nc1 1851685148 ZVWSNXDAGQOERR-UHFFFAOYSA-N 408.462 1.432 30 10 HDEE CC1(c2cccc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)n2)OCCO1 1852230011 UZEXSEHFPMJUSK-UHFFFAOYSA-N 412.490 1.915 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1852496665 FYYLYBLQUJNAGH-OLZOCXBDSA-N 405.886 1.648 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCOCC2)c2cccc(F)c2)CC1 1853542273 UVYDDECAEVVYBZ-UHFFFAOYSA-N 411.499 1.864 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCCN(C4COC4)CC3)C2=O)c1 1853732861 RWWPAJHNNNWRDE-IBGZPJMESA-N 416.909 1.554 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1=O 1853828464 MPJVZOFUOMZIEB-PMACEKPBSA-N 408.502 1.878 30 10 HDEE CCCS(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCC2 1854022822 XMRRILLPEOQRHM-UHFFFAOYSA-N 403.504 1.824 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1854030078 PIOMUYGQZOUPBV-HUUCEWRRSA-N 423.922 1.514 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cn(C)nc2C(F)F)C1=O 1854097727 CSJUSOMBVHSDAV-GJZGRUSLSA-N 423.464 1.598 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1854357544 PGYCISSFTNAOSG-IRXDYDNUSA-N 423.922 1.933 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)[C@H]4CCCO4)C3=O)CC2)c1 1854419991 VVJPLKIHASPVGI-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)nn1C(C)C 1854997536 BDFSJEREQFSHQT-FUHWJXTLSA-N 400.527 1.823 30 10 HDEE C[C@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2N(C(=O)Cn2cnnn2)C1=O 1855427794 NKPSNCSISSWLRS-HNNXBMFYSA-N 401.430 1.761 30 10 HDEE Cc1nc2ccnn2c(C)c1CCC(=O)N1C[C@H](CN2CCC(C#N)CC2)CC1=O 1855861333 CKAAXIIQRAIDBJ-SFHVURJKSA-N 408.506 1.889 30 10 HDEE Cc1c(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)nnn1-c1ccccc1 1856525744 ZLPMLOHSWZFXIG-WMZOPIPTSA-N 404.474 1.943 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccccc3Cl)C(=O)O2)CC1 1856603564 OCPGIAGSGCNRGG-OAHLLOKOSA-N 411.867 1.866 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2c(C)noc2C)C1)[C@H]1CCN(C)C1=O 1857069207 VTHFMUMDTRYXOF-AEFFLSMTSA-N 402.495 1.318 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c3c(nn2CC)CCC3)C1)[C@@H]1CCN(C)C1=O 1857264602 ZESLQDQQAOUHDS-CRAIPNDOSA-N 413.522 1.099 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccccc2OC)C1)[C@H]1CCN(C)C1=O 1857282138 RNTUGWCHYBECGN-SJORKVTESA-N 415.490 1.168 30 10 HDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861501345 YFBAOASDYXDYHU-HXUWFJFHSA-N 407.467 1.029 30 10 HDEE C=C(I)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CC(N)=O 1892104673 WSYXEHOHCIHEPV-LLVKDONJSA-N 409.268 1.732 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 1902632478 LTUGYQXOIZJZBW-OTWHNJEPSA-N 414.506 1.905 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)N3CC[C@H](O)C3)ccc2Cl)OC1(C)C 1914068538 LQFSQRHZOHNEGZ-LBPRGKRZSA-N 402.709 1.363 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1984280593 DHJYTTXFESUATG-NEPJUHHUSA-N 413.334 1.432 30 10 HDEE C#CC[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2074733573 AZPULMWLFXMBNU-KUHUBIRLSA-N 408.451 1.065 30 10 HDEE CCN([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174785188 WGQMKNFKQOXNMJ-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CCC#N)CC(F)(F)F 2181052588 GCJCMGQVKFNLFN-NSHDSACASA-N 415.434 1.619 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2188399238 ZTPBRZVSIBCZNE-GJZGRUSLSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CCC[C@H](S(C)(=O)=O)C2)[C@@H](C#N)C1 2194928863 PUVQCSIFBIMEAS-RLFYNMQTSA-N 400.545 1.116 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](CS)C(=O)O)[C@@H]2CCCO[C@@H]2C1(C)C 2195311580 RHELZUDYPRJCMV-LEGQTRPTSA-N 402.513 1.584 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@@H](N)C#Cc1ccccc1Br 2220260567 UKZJFQGGPZAZEF-DAYGRLMNSA-N 411.296 1.783 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)ON3C(=O)c4ccccc4C3=O)CO[C@H]1C2 2241417130 HZYBOJXIHVKPLF-CKNLXJGOSA-N 402.403 1.813 30 10 HDEE COC(=O)[C@H](CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243663616 IAEQDICATNUJOW-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822697 IAKFHXBDRZOWTC-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE Cc1nn(C)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247826463 UTAIYOHJDVCADJ-QWHCGFSZSA-N 420.319 1.423 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828451 NWZLYTKZNRYQOB-MAUKXSAKSA-N 410.327 1.959 30 10 HDEE CC1(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)OCCO1 2247876941 ZFYLEINAXKFMEO-UHFFFAOYSA-N 423.749 1.742 30 10 HDEE Cc1c(C(=O)NOCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247913800 AUQVLYMQAPBAPW-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247918207 NPXMLJGLYQMKIQ-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)o2)OC1(C)C 2248563910 JTVDUOHYPYQKRF-HNNXBMFYSA-N 415.251 1.979 30 10 HDEE CC1(C)OB(C#CC(=O)NC2(C(=O)O)CCN(Cc3ccccc3)CC2)OC1(C)C 2248588366 BWBZBBIEVOCPHQ-UHFFFAOYSA-N 412.295 1.857 30 10 HDEE C#CC[C@@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258168887 NWOQZWHLDFDGGS-SJORKVTESA-N 408.476 1.574 30 10 HDEE CNCCCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355307 GDRCRDZLOYEYIZ-UHFFFAOYSA-N 408.782 1.931 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371036 UUYBJFZCAWGHPN-VXGBXAGGSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](O)[C@H](F)C3)cc2Cl)OC1(C)C 2267417697 YGDGXOFFHUFOMY-ZJUUUORDSA-N 411.713 1.404 30 10 HDEE COC[C@@H]1CNCCN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281943244 FDEZOPDIBXGKCN-NSHDSACASA-N 400.737 1.761 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CO)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282307530 DOOYEZJYIRBFRF-VIFPVBQESA-N 415.264 1.557 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282333242 LXVFYGVIIDFMIJ-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC1(C)CC[C@@H](N)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337359 GVZUXNVJAKPZQC-GFCCVEGCSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCCC[C@H]3N)c2)OC1(C)C 2282341911 ZMHJYFRRMZZYRS-KGLIPLIRSA-N 400.375 1.986 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)C1N 2282351361 ZKSHDMJZYQKMDR-VXGBXAGGSA-N 400.375 1.651 30 10 HDEE CC(F)(F)C[C@@H](CO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282420988 HZSKGBCEUINMBA-JTQLQIEISA-N 411.301 1.732 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(CCO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282491975 MYBFIYZUPUMVGK-UHFFFAOYSA-N 401.359 1.810 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282494014 WMQJKWUAFTZVDM-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@H](N)[C@H](O)C3)sc2Cl)OC1(C)C 2282612492 UBDLTBIXNDOWCH-ADEWGFFLSA-N 400.737 1.529 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC(N)(CO)CC3)c2Cl)OC1(C)C 2282639420 ZLAAUKPEGIHQFC-UHFFFAOYSA-N 400.737 1.627 30 10 HDEE CC1(CN)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282834919 OBMQEYVKALICKC-UHFFFAOYSA-N 400.737 1.609 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCOCCCN)cc2Cl)OC1(C)C 2282835936 ZROAXTOHHIGQIP-UHFFFAOYSA-N 424.781 1.344 30 10 HDEE C[C@@H]1C[C@H](CN)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850921 VEHRDKMMJWCHBV-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1N 2282851899 IVPAUWBQYAFNIN-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282862561 FFTFCYCAEUYLRQ-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CSCCN(CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284395642 NTTIGRJWPJNFPM-UHFFFAOYSA-N 421.371 1.486 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284399913 PNLQVKKBAJIHLV-NSHDSACASA-N 403.331 1.578 30 10 HDEE C=C[C@H]1COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2285359724 UFSAQLXARIIGMY-LBPRGKRZSA-N 400.331 1.159 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCCN1 2286906606 SCULTKQMSQEFNZ-WCQYABFASA-N 400.375 1.775 30 10 HDEE CN([C@@H]1CNCC1(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2289910161 WLTNLIDLGTWKTM-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2301662917 UIFSFXFVHWGLOU-ZDUSSCGKSA-N 424.303 1.848 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccn2)CC1=O 2327841624 VONZLXAXHUQBIA-LBPRGKRZSA-N 401.496 1.247 30 10 HDEE Cc1ccc(I)c([C@@H](C#CC(C)(C)S(C)(=O)=O)NN)c1 2365185768 ZPRICYSBCFYIQK-CYBMUJFWSA-N 406.289 1.931 30 10 HDEE Cc1cc([C@@H](C#CC(C)(C)S(C)(=O)=O)NN)ccc1I 2365198310 ZJXYUGUSYICLAR-CYBMUJFWSA-N 406.289 1.931 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)C1(C)C 2367793280 BNWTXOMPIXYHKG-SFHVURJKSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367795317 DLMDOQUIENQMLK-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367798352 QHDASJZWDGLSAB-OWCLPIDISA-N 401.525 1.780 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367800253 ICZBIIGZLJJGMS-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H]1C(C)(C)C 2367808698 FVURBGFUIJSNLB-LPMFXHHGSA-N 400.541 1.291 30 10 HDEE C[C@@H]1[C@H](O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C 2370704449 DUTCASSALVRGIA-YNEHKIRRSA-N 401.359 1.827 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccn3)n[nH]2)cn1 59886641 GWJFOSKMDBIJKP-QGMBQPNBSA-N 401.456 1.219 30 10 HDEE CCC/C(C)=N/Nc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 59890405 SGJBVCBJZSXLGH-VXLYETTFSA-N 411.513 1.771 30 10 HDEE CCC1=C(C)C(=O)n2c1cc1c(C)c(CC(=O)ON3C(=O)CCC3=O)c(C)n1c2=O 101416942 ZHDXZJZXILKEFV-UHFFFAOYSA-N 411.414 1.705 30 10 HDEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443329874 MPKAGKKFGJDSPQ-UHFFFAOYSA-N 412.490 1.852 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 460280697 KZMUJRJZRVWDPM-UHFFFAOYSA-N 421.500 1.449 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCOc1ccc(C#N)cc1 465975916 XEANAFVRCMNUKZ-SFHVURJKSA-N 408.506 1.842 30 10 HDEE COc1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] 469178522 XAXTUVJNLNNFIX-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE COc1cccc2c1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 470551711 NRPQUFQKYXYGPH-OAHLLOKOSA-N 413.499 1.861 30 10 HDEE Cn1ccnc1-c1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n(C)n1 484949766 CGHCQVSAICZXQI-UHFFFAOYSA-N 413.463 1.265 30 10 HDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H](CC(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 504706827 FFNCCEPTDSCWGF-IKLNAOFOSA-N 409.442 1.433 30 10 HDEE biogenic C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)no2)CC1 508807718 CYWYISHUNOFBRT-UHFFFAOYSA-N 409.454 1.125 30 10 HDEE COCCNC(=O)c1cccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 509462233 GVEAFGPGTVIOFA-UHFFFAOYSA-N 403.460 1.292 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1OC 520148578 ALRUHJDQJXVZKO-INIZCTEOSA-N 421.450 1.892 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(OCc2ccccc2C#N)cc1 521961733 VLTULXHUVVDHRN-FQEVSTJZSA-N 420.469 1.604 30 10 HDEE CO[C@@H]1[C@@H](C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 539404284 FSFJWVTVYZXECI-JCGIZDLHSA-N 420.535 1.634 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3nnc4ccccn34)C(C)C)CC2)o1 541614649 SPBWJYSKDILLMS-IBGZPJMESA-N 422.493 1.533 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 555165957 QHZOOJYQPOOZGP-WMZOPIPTSA-N 408.520 1.448 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(O)n1 555575276 GHBLGXLAJAXRID-UHFFFAOYSA-N 411.437 1.380 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 558981962 SYUFFJLBGIMUCW-KRWDZBQOSA-N 401.515 1.711 30 10 HDEE COc1cc(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)ncn1 561240824 TZXDKJLFXAHLCN-INIZCTEOSA-N 410.453 1.671 30 10 HDEE COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 564121759 TVJNBUSMADGQDW-UHFFFAOYSA-N 414.491 1.261 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 566580853 GDGQZDHNHFLEFN-UHFFFAOYSA-N 422.898 1.943 30 10 HDEE CN(C)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 581904669 WOFMEWIIYSPYRK-UHFFFAOYSA-N 401.858 2.228 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@H]1CCCO1 603799755 VMLHYUGNFPMSFS-QGZVFWFLSA-N 409.511 1.203 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 610531403 AEGMDHAHOVLJEU-UHFFFAOYSA-N 404.423 1.169 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669804703 SCIGAUGCCTVRHJ-YLJYHZDGSA-N 409.538 1.905 30 10 HDEE C=CCn1c(-c2cccs2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671666081 HEGJYKPOOXAWFP-AWEZNQCLSA-N 422.532 1.604 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727415741 YVPLWWFGODPGNC-OAHLLOKOSA-N 401.488 1.101 30 10 HDEE COC(=O)[C@@H](OC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(C#N)cc1 740204769 QECQDWLUIMGBOJ-KRWDZBQOSA-N 411.345 1.972 30 10 HDEE COc1ccc(Br)cc1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 742072068 KDBVOXXOBXQSBT-MSUUIHNZSA-N 408.252 1.643 30 10 HDEE C[C@@H](OC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 744947421 DANNGVADGIZDOB-RISCZKNCSA-N 412.368 1.847 30 10 HDEE C[C@H](C(=O)OCc1cc(Cl)ccc1OCC#N)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745443269 MWAZCAPUGLFXJR-ZVRPKZHNSA-N 418.833 1.836 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 758645107 PFLNHCFXDVKNHM-GJZGRUSLSA-N 423.491 1.819 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O 767479416 YWCLCNOOSYPMDH-UHFFFAOYSA-N 414.439 1.516 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767871330 FCKVSBPDYVJXCM-CYBMUJFWSA-N 401.513 1.418 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774249318 YHKSDFNHUIYWKP-MOPGFXCFSA-N 417.531 1.052 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCCc2cc(Cl)c3c(c2)OCCCO3)C1=O 775855450 PXPHVCFAOXYKOS-UHFFFAOYSA-N 422.821 1.564 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)nc3)c2=O)c1 776755880 ILKPECQJKCVWGA-UHFFFAOYSA-N 405.439 1.041 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(OC)c(F)cc3C2)cc1 777014979 OWKZQPVAGDPXLE-UHFFFAOYSA-N 402.447 1.944 30 10 HDEE CCOCCCNC(=O)[C@H](C#N)C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 777300741 POTCSEZUEHBZLE-QGZVFWFLSA-N 404.486 1.833 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 779712417 IPVFDGNFKJSMHD-SJORKVTESA-N 423.558 1.261 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C#N)cn2)C1 782018583 NPQWKJPZDYKGOX-OAHLLOKOSA-N 403.464 1.275 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)nc12 783124350 QNYPCFGMHUWIJN-SNVBAGLBSA-N 413.340 1.681 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)CCC(=O)N3CCOc4ccccc43)nc12 783605865 CFBSLSQNWJRGMN-UHFFFAOYSA-N 407.386 1.556 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 784444603 YMCVGOIVHGECEJ-UHFFFAOYSA-N 412.439 1.470 30 10 HDEE C#CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@@H]1CCS(=O)(=O)C1 785934668 UTAYWZQCNUOKBJ-LLVKDONJSA-N 415.265 1.928 30 10 HDEE C[C@@H](CC(=O)OCC(=O)OCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 788947532 OSHUDFWUCXNEJP-VIFPVBQESA-N 408.354 1.152 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](COc2ccccc2)C1 791149106 QYLUFSQIKSAQDS-MRXNPFEDSA-N 415.471 1.032 30 10 HDEE COc1ccc(OC)c2c1CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)C[C@H]2O 804160570 WVKXCKQTRKLMCS-MRXNPFEDSA-N 413.405 1.407 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 805123754 AHPIZSHMEIDXMK-KGLIPLIRSA-N 415.446 1.895 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2cnn(C)n2)C1=O 807933509 BVEDNYZWPYQBCF-OAHLLOKOSA-N 415.479 1.041 30 10 HDEE C#CC[C@@]1(C(=O)NCc2ncccc2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 809800270 MUOSXAHQVYTXSK-FQEVSTJZSA-N 421.519 1.894 30 10 HDEE COCCn1c(C)cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1C 917355304 FMCXNBPGOFGIEM-GOSISDBHSA-N 412.515 1.180 30 10 HDEE C#CCN(C(=O)COc1ccc(F)cc1Br)[C@@H]1CCS(=O)(=O)C1 918755130 SJCDIQSKYZZDKY-GFCCVEGCSA-N 404.257 1.616 30 10 HDEE CC(C)(C)c1nc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cs1 920394529 OCMPWZGFQAYLSQ-CQSZACIVSA-N 400.529 1.869 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(F)cc2I)c(=O)nc1O 1137171505 QCHXUHXXXBZOTC-UHFFFAOYSA-N 414.134 1.203 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)c2cccc(C#CCO)c2)CC1 1138987030 LIYVQOQIVUDDRU-UHFFFAOYSA-N 400.447 1.162 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1141603172 FNXMMQGUUJFHMX-ZIAGYGMSSA-N 409.446 1.577 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1144551507 AQJSQZKJHMKUDN-OAHLLOKOSA-N 418.450 1.690 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 1149237158 DJPQVFPUENETRJ-HUUCEWRRSA-N 400.435 1.812 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1 1156672078 FBQZFPUFNQQOJI-UHFFFAOYSA-N 410.471 1.763 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCC[C@@H]12 1160097801 PYEVXKACPIXASA-LHENBBTASA-N 418.494 1.951 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1163025928 DWFWNBBUZBERPI-IEBWSBKVSA-N 420.531 1.978 30 10 HDEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1166311391 AHUWCVLFGCFGRE-KGLIPLIRSA-N 412.471 1.594 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1174742897 WBKQBSYVMOPTHL-HNNXBMFYSA-N 407.517 1.260 30 10 HDEE COc1ccccc1OCc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)o1 1180990444 SAJIIWIUWDNBSS-UHFFFAOYSA-N 422.397 1.698 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1181746529 IZPGLWLWRXMFRP-UHFFFAOYSA-N 406.529 1.991 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C2CCC2)CC1 1227059359 RZBHBEAFFKGVQX-SFHVURJKSA-N 424.954 1.976 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1286360390 GDCIIFXBAHGWHV-INIZCTEOSA-N 418.567 1.852 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1286390123 XNRWDOYEPIADPD-HOTGVXAUSA-N 405.524 1.212 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1NC(=O)CC1(C)C 1286404643 XAERHMPXXWUNHO-LJQANCHMSA-N 421.501 1.950 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1286484931 QXCFJBQUJHZBIH-UHFFFAOYSA-N 420.517 1.789 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286537902 JKZXGFQOVPZDSE-CXAGYDPISA-N 410.316 1.797 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286607411 GWQFCFICPZVLOW-OAQYLSRUSA-N 418.542 1.884 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(C(=O)CCOC)CC3)n[nH]2)c1C 1294933118 RJFCSZVNPKSPHL-UHFFFAOYSA-N 414.510 1.833 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NOCc3ccccn3)CC2)cc1 1299115486 JAKBDVCSRLSZHU-UHFFFAOYSA-N 400.460 1.602 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1299333186 HEEQWUZAMVDFLV-KRWDZBQOSA-N 420.477 1.875 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1300449851 ZDANILBKPWLGOH-UHFFFAOYSA-N 419.507 1.415 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1300495132 DDLKBBOVMFRKCU-MRXNPFEDSA-N 404.540 1.459 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300801255 LEUWUEAJEBTSJJ-HNAYVOBHSA-N 415.523 1.009 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301491448 RAEUBAKTCNUVGR-HNNXBMFYSA-N 415.498 1.301 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCNS(C)(=O)=O)C1 1301556481 JLOFWIMUHXETPW-MRXNPFEDSA-N 423.514 1.339 30 10 HDEE COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301835041 KCXBRGFTVCYSOF-CVEARBPZSA-N 412.498 1.195 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(C)(C)O 1302095825 XKCYFEXJZHEOCX-RDJZCZTQSA-N 406.531 1.340 30 10 HDEE COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1307796614 CJLWLNJMXXHAQX-LJQANCHMSA-N 416.503 1.488 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1309079262 KMPAQKDGISJUCO-AWEZNQCLSA-N 408.526 1.892 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1F 1309312752 QHZIHPSXJBPUJI-GFCCVEGCSA-N 403.439 1.589 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 1309485542 FKOXGNRXSAABME-WFASDCNBSA-N 403.501 1.392 30 10 HDEE C#CCC1(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)CCCCC1 1313390148 IIGBTEOWOMATOR-NGEICVOHSA-N 410.536 1.911 30 10 HDEE COCCCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1316020753 PCRDLFJQHVKNSY-ZZEZOPTASA-N 410.478 1.944 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1316258409 XXGRNSMIJBIREE-OALUTQOASA-N 424.505 1.585 30 10 HDEE C#CCCCn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1358935985 YYVROMPQAPGYDS-QFIPXVFZSA-N 419.570 1.891 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1358956084 ABINPTXKAOEYCF-GOSISDBHSA-N 404.540 1.567 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C(C)C)CC1 1359034702 AUWUXMDOGFOBDG-GOSISDBHSA-N 402.543 1.437 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359056385 DPOWIFRBWDZHTM-ARFHVFGLSA-N 412.581 1.408 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C[C@@H]1CCOC1)C1CC1 1359142219 CJJZGQPEELNMLK-STQMWFEESA-N 403.936 1.646 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359267857 UXTLHRTZIFJGJQ-FQEVSTJZSA-N 418.519 1.682 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359297035 CCBQBFBVWPYBAD-KKSFZXQISA-N 414.510 1.360 30 10 HDEE CC(C)N1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1360144189 WGMHGOUWHPPHFW-UHFFFAOYSA-N 411.510 1.948 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1360476412 LLERFMVZIANAPP-SYWZAZHRSA-N 413.482 1.437 30 10 HDEE N#C[C@]12CN(C(=O)c3c(F)ccc(Br)c3F)C[C@H]1CS(=O)(=O)C2 1439796761 ORCCCPKKZYWUET-RMLUDKJBSA-N 405.220 1.738 30 10 HDEE CC(C)N(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1442581621 KKCJZGAVJPZMBG-PMPSAXMXSA-N 413.540 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)C#Cc2ccc(C(F)(F)F)cc2)(C(N)=O)C1 1447691073 XCMJLLCAGKHRFB-UHFFFAOYSA-N 411.380 1.648 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@@H](O)[C@@H]2C(=O)OC)cc1OC 1447745535 XNTLDNBCOAWQKN-OXQOHEQNSA-N 422.478 1.750 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)C(=O)OC 1448497469 SELUNEFFWMDAQU-INIZCTEOSA-N 409.483 1.832 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(F)c(C#N)c(F)c3)C2=O)c1 1448753178 JYCSLKZCSMUMBH-LJQANCHMSA-N 400.341 1.957 30 10 HDEE C[C@@H]1C(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C(=O)N1C 1453745550 BLJCOPFYCSSAKR-OMUIBUHPSA-N 405.455 1.087 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1455928006 RNOXPYLJXJTINH-KRWDZBQOSA-N 408.520 1.687 30 10 HDEE C#CCN1CCC(C(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)CC1 1456199482 NINISRJSIOTSTC-UHFFFAOYSA-N 405.539 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3ccncc3C#N)C2)CC1 1459726721 DNGREDSNZJXPKJ-UHFFFAOYSA-N 421.523 1.020 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2cccc(C)c2)c1 1465778717 JEAYCUOTQKLJTD-SFHVURJKSA-N 401.484 1.962 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2cccc(OC)c2)s1 1465912510 FEQYBXXNDOCVLI-INIZCTEOSA-N 410.517 1.613 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2COC3(CCCCC3)O2)s1 1466423154 LLJXFCKKILIPEC-AWEZNQCLSA-N 414.549 1.947 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)/C=C\c1ccc(F)cc1)C2 1467963847 DDZBHHVBWNKGMP-YFHOEESVSA-N 402.447 1.901 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@H]1c1nccn1C 1470342931 MWQLNCQJTBETLH-PMACEKPBSA-N 422.489 1.381 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)n1 1470582728 ZWKZUMOXNDPTJJ-CYBMUJFWSA-N 405.480 1.679 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)O2)[C@H]1C 1471929349 JVYOUJHKBMWWID-WZFJYNIESA-N 410.467 1.825 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 1474916150 OAYYGTFPELGCBL-UHFFFAOYSA-N 417.918 1.948 30 10 HDEE CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccc(C#N)o2)CC1=O 1503683131 OXHFLRHYBLXMNS-UHFFFAOYSA-N 407.390 1.645 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1Cc1ccc(C#N)o1 1504970129 JNQNGSBZXKGAPI-JLTOFOAXSA-N 414.466 1.374 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)CCOCC1 1505007628 JWQZAKOZQLHGOV-SFHVURJKSA-N 419.526 1.734 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccnc(-n2cccn2)c1 1507651620 SARYUNCKPNCJCW-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)C1CC1 1507661034 KKOKAAFDPURJSB-VXKWHMMOSA-N 400.523 1.943 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCCC2)CC1 1507888297 YQDSZJAHJFLAIW-UHFFFAOYSA-N 421.567 1.914 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1 1507958803 CWPVJJXMHVTJET-UHFFFAOYSA-N 413.478 1.587 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](COC)C1 1508083715 ALTKHUDIOQTYSV-HNNXBMFYSA-N 404.540 1.799 30 10 HDEE CC(C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1508957631 GZUHAXBDVZVLGF-MRXNPFEDSA-N 416.548 1.222 30 10 HDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CC(=O)N(C)C)C[C@@H](C)O2 1512417536 AGMWTHZOURZBSC-ZMPRRUGASA-N 424.505 1.678 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1518630594 FJDFYAKCNSQADS-GBESFXJTSA-N 424.505 1.789 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1519230823 LSPPTZZLAILVHA-UHFFFAOYSA-N 408.506 1.932 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)Cc1ccc(C#N)nc1)c1ccc(S(C)(=O)=O)cc1 1524783974 HHARZKDVOVBRIQ-FQEVSTJZSA-N 415.471 1.494 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539012917 KUMPKWXIHDIZDR-RDJZCZTQSA-N 402.520 1.886 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539218572 AOXNIEDUVLLDQQ-ZWKOTPCHSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC1 1539332527 UUGIBMPFMYLRNH-UHFFFAOYSA-N 404.518 1.592 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@](C)(O)CC)CC1 1539441848 WXVVOFGXPCEYSR-QFIPXVFZSA-N 413.522 1.879 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)[C@H](C)CCC 1539555750 APXHIWOEPLDSIP-WHSLLNHNSA-N 400.527 1.774 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)C(=O)C1 1539592701 KRZQPGNHFFBJCT-UHFFFAOYSA-N 406.288 1.398 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539608652 BZPMOEPRRAZIKO-NEPJUHHUSA-N 409.350 1.981 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539629511 AFWJYKVFHCCQMO-JJDSTIRJSA-N 403.527 1.726 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1540074340 XXBITULCCATPPK-SJORKVTESA-N 411.572 1.039 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]2CC[C@@H]21 1540874351 CUZPRIMDGQDKCF-CABCVRRESA-N 414.535 1.951 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1542978828 YWRUBHDHXMLHSR-MNDPQUGUSA-N 406.389 1.058 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)n1 1543045691 UKKOKNLVFRZVPO-FRQCXROJSA-N 403.462 1.122 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 1545142383 KXQXTBJAIOHKDX-YPMHNXCESA-N 406.386 1.182 30 10 HDEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1547107556 HGWMYQXFTUOIKE-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1555568730 BZEIYMJEJXDQOX-LJQANCHMSA-N 418.461 1.437 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(OCC(N)=O)CC2)o1 1555989171 AXCMFTYOUFKHLV-CQSZACIVSA-N 414.466 1.156 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1 1556381935 NUXPDAFODSCAEB-HXUWFJFHSA-N 418.453 1.858 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCCN1C(=O)OC(C)(C)C 1557325178 AHGIABNTCDRSNY-AWEZNQCLSA-N 422.507 2.000 30 10 HDEE N#Cc1cccc(ONC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1557921032 MUMIMXIHKRYXDM-UHFFFAOYSA-N 410.455 1.829 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2nnc(-c3cccc4ccccc34)o2)CC1 1559716968 DDSNZTNOUMGBAY-UHFFFAOYSA-N 411.487 1.475 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)s1 1567190806 NOSSFWGQPOGVBN-QGZVFWFLSA-N 417.516 1.779 30 10 HDEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)N(C)C 1567429042 RKVBFSOJAHTKOP-SUMWQHHRSA-N 400.479 1.985 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](CCC)S(N)(=O)=O)n1 1584411817 GAZDILYDIZYZFF-JTQLQIEISA-N 416.554 1.196 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCc2nnc3n2CCCCC3)c1 1586055121 VGCLYLHRORUCPY-UHFFFAOYSA-N 419.482 1.803 30 10 HDEE COC(=O)[C@@]1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C 1587261679 KIWLIPLSACUGPB-QSZISKGPSA-N 412.446 1.421 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCCOC1 1587302982 NANRCOKRNLGOQZ-KKSFZXQISA-N 403.454 2.000 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1587567857 KZSNRECINNXECB-FOIQADDNSA-N 401.515 1.783 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1587626182 IEBUKGCGVCCTCQ-APWZRJJASA-N 408.506 1.572 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1588388219 YZYROESUNOJLDR-HNNXBMFYSA-N 415.585 1.214 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCOC[C@@H]1OC 1588673629 VFORCBXAUSYDLZ-AEFFLSMTSA-N 419.551 1.771 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NC(C)C)CC1 1588864774 JYVODXLAYPTAGZ-UHFFFAOYSA-N 410.522 1.445 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCOCC1 1589162233 CQXOPSQTYNQJOX-YADHBBJMSA-N 417.554 1.645 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1595507187 ZAVGKOLKZVPRAT-KRWDZBQOSA-N 422.493 1.689 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1595556372 SQSMKFRYQSTPBE-HNNXBMFYSA-N 416.913 1.526 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCOCC1 1595777219 KBTOYYVMOSZPDI-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2CCCC[C@H]2C1 1595798407 PAMFASVVUKSPJV-ROUUACIJSA-N 423.583 1.447 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1597332264 LKXKOOWQCSFCGL-MRXNPFEDSA-N 417.462 1.010 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3n[nH]c(C)n3)C2)s1 1597824235 UZXZZBJBCNXZON-CYBMUJFWSA-N 409.537 1.588 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@]4(C)CS(=O)(=O)C[C@@]4(C)C3)cc2C1=O 1611222960 BKKFWVBMKHMXOQ-BGYRXZFFSA-N 402.472 1.365 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)OC 1619595890 CILDJDCENOPUAE-RBUKOAKNSA-N 412.494 1.583 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(N)=O)CCCC1 1620082607 GGDMHEGEROOYGP-JYJNAYRXSA-N 404.515 1.786 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)c1 1620350038 ZWBUSZYVSXHWSO-SFHVURJKSA-N 417.429 1.455 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCOCC2)cc1 1620350204 FIWKRLIDEVKVJY-OAQYLSRUSA-N 423.452 1.508 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCc2ccco2)CCO1 1620356296 WDMTVFKYWNBHCU-MRXNPFEDSA-N 412.475 1.569 30 10 HDEE CN1CCN(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)CC1 1622470926 GELZVWPZJHRFHZ-UHFFFAOYSA-N 416.469 1.978 30 10 HDEE COC(=O)[C@H]1CN(C)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1626682547 YSNOHBCZHQHVRV-KRWDZBQOSA-N 416.327 1.471 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 1627067847 GKEAAOGDEGFNGZ-UHFFFAOYSA-N 402.373 1.146 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1630988756 CMUYFQLUSUBTIO-IPMKNSEASA-N 417.531 1.479 30 10 HDEE COC(=O)Cn1nc(C)c(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1C 1633237001 XWUQVJKZAYJYFY-MRXNPFEDSA-N 421.498 1.876 30 10 HDEE C=CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1633797969 WBPPWVSVSZJUNY-CQSZACIVSA-N 402.494 1.341 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCC#CCN(C)C)cc1 1635386733 SVNHDTHWSKASGE-UHFFFAOYSA-N 401.488 1.791 30 10 HDEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1636189032 PRRUYKJDHHOZFY-QGZVFWFLSA-N 407.492 1.896 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)c1 1636795517 UDWKVTXDUIIZLN-VQIMIIECSA-N 401.488 1.867 30 10 HDEE CC1(C)OB(C2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)OC1(C)C 1637065950 GTMAUPMHSHTDMB-UHFFFAOYSA-N 424.328 1.798 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1639532718 LYDIKWTVYBJEQF-ZDUSSCGKSA-N 400.435 1.068 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(F)cc(Br)c3F)C2)c(=O)nc1O 1640637235 WISIEXXRVRXMNQ-UHFFFAOYSA-N 411.162 1.558 30 10 HDEE CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1641098958 AXGDNYRGNNKZTB-DZGCQCFKSA-N 424.523 1.645 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1643335733 SNBGOKSWHJBOSG-YYQBIWNASA-N 409.483 1.355 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OCC 1643589668 MEUTVQGZMXTDHX-INIZCTEOSA-N 422.913 1.701 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 1644282312 ZLEXIGSZLLAJDU-UHFFFAOYSA-N 414.531 1.628 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccc(C#N)nc3)CC2)CCC1 1644412003 MIVWOISFEIECQH-SFHVURJKSA-N 421.567 1.077 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)cc1 1645477057 YEGSTXYKVYKDQB-XGAFWQRZSA-N 400.500 1.973 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCC1 1647860500 HAWGSFMSQDDJSU-GOSISDBHSA-N 406.552 1.027 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc2)c1N 1648247994 HEQSCVZORNUMIL-UHFFFAOYSA-N 401.474 1.722 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1ccnc1)C(=O)OC 1654509133 BFOOVJMTVQRKHD-QWHCGFSZSA-N 400.863 1.577 30 10 HDEE C#CCN(CC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N)C(C)(C)C 1655637854 VKAICLZUNCQNCD-UHFFFAOYSA-N 405.543 1.910 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 1656883517 IUWCTDAYWNTJKI-YMXBGEKHSA-N 409.455 1.965 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1=O 1663628282 WANAXWMPDLKLIQ-ZDUSSCGKSA-N 416.272 1.867 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C(=O)OC 1663797319 UVOZKKWRORITMW-LBPRGKRZSA-N 404.238 1.079 30 10 HDEE C=CC[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccncc1 1679026504 KBZGRCJTJDDQLC-MUZJZNNISA-N 421.519 1.897 30 10 HDEE COc1cc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1C#N 1680912438 DMLVFHKQVPSGJZ-HOTGVXAUSA-N 404.467 1.736 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(C(=O)NCCO)CC2)CC1 1681580456 CIMFKYFVEWFCGH-UHFFFAOYSA-N 415.494 1.173 30 10 HDEE CN1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2cccnc21 1682021862 OGFAXFHZYBSXBH-IBGZPJMESA-N 404.474 1.716 30 10 HDEE C#CCCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)[C@H]2COC[C@H]21 1682733551 YNBWVMDFYXZFRM-OBKDMQGPSA-N 400.519 1.823 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)C1 1685177387 SDNGNSMWCDEVFD-QGZVFWFLSA-N 414.506 1.269 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1686084115 HVTRHHICDKLKPC-DYESRHJHSA-N 414.462 1.417 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1689926307 NAIGPPSHXNISMQ-UHFFFAOYSA-N 420.564 1.845 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC2CCOCC2)CC1 1690120254 NJFLWUVOCUAZBL-UHFFFAOYSA-N 413.526 1.020 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccnc2OC)CC1 1690143787 BYJCSIKHYDVPHY-UHFFFAOYSA-N 408.506 1.963 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1nnc2n1CCCCC2 1690189243 WKJXGBKEBLQGJL-JOCHJYFZSA-N 424.553 1.969 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1692218698 KJIGAPKQLODNNH-JOCHJYFZSA-N 424.553 1.136 30 10 HDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1693088481 HIYOJNNATAWFCR-UHFFFAOYSA-N 408.487 1.803 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1697685569 OLIJCKNWWAPGQI-PXWUZIAUSA-N 414.510 1.933 30 10 HDEE CO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698276807 CBFWYKMDLHGHPX-ZBBYCGENSA-N 423.477 1.015 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1705485223 GLPNRMVRCHQLLZ-BTYIYWSLSA-N 400.479 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1705496767 MZBPXEVVCDWQRT-ZBFHGGJFSA-N 410.478 1.324 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1705574659 JRDDBFJCWRTZPM-KNKQGSTJSA-N 416.522 1.443 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(C)C 1705628362 DUDLYVLIEBEOMS-KURKYZTESA-N 424.567 1.327 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(NC(C)=O)c2)CC1 1705632477 RDLYLBSNMSGGOX-UHFFFAOYSA-N 423.521 1.178 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1705825139 KVVMLHBTLIJMEJ-UHFFFAOYSA-N 419.526 1.493 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705828407 MWPYXHLFJJDKCE-HKUYNNGSSA-N 413.526 1.485 30 10 HDEE CC(C)(C)Cc1nnc(N2CCSCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706145354 AZAPKRKMIXKOLR-MSUUIHNZSA-N 404.540 1.946 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCCCO 1706746431 AIPWFADOXWLCRZ-UONOGXRCSA-N 401.558 1.034 30 10 HDEE Cc1coc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1707715092 UXVCXJBQOGGOAJ-HNNXBMFYSA-N 407.434 1.912 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1712168504 DWDVVVVVUOARKX-MRXNPFEDSA-N 414.441 1.880 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1712168512 DXSZJTHJFHUHPM-HOTGVXAUSA-N 400.414 1.442 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1722285106 SXSQNXRPRUKQGN-CQSZACIVSA-N 416.507 1.208 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722365508 FCLFWLNTAHENEX-IEBWSBKVSA-N 415.563 1.992 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722492625 GCJFJTJOERJUGT-AYBZRNKSSA-N 408.510 1.945 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccs2)CC1 1722574108 GCQUFNOIXFPYHM-ZDUSSCGKSA-N 410.569 1.990 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1)C1CC1 1722650810 LNSAQVLRGQXNRA-CQSZACIVSA-N 406.512 1.659 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(=C)CC1 1722696045 ZDWPXPCKMFETBT-UHFFFAOYSA-N 405.466 1.379 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1722864484 ADVNOXNWOZRJNI-VLIAUNLRSA-N 407.482 1.678 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1740598360 NSCYDPFLGYAXQF-UHFFFAOYSA-N 403.508 1.132 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCOCC1 1740607166 GSVNJMIUZDYOMT-GOSISDBHSA-N 405.506 1.921 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCc1ccc(OCCN(C)C)cc1 1740607450 QTIFCWKRJNENCQ-UHFFFAOYSA-N 405.506 1.988 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1740660531 VBMUNEXITVXBEW-FQEVSTJZSA-N 413.551 1.822 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1740671589 KHLNHTLDLWYQFC-LJQANCHMSA-N 415.563 1.750 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)CC1 1740692500 KELHRSZETZWGPT-GDLZYMKVSA-N 408.531 1.483 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740716245 OLMNJMCGJIOEBT-GUXCAODWSA-N 419.551 1.370 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740718149 IMATVRZWYYREQQ-GVDBMIGSSA-N 403.552 1.943 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740819825 GDNWIWJYPWOJKM-HXUWFJFHSA-N 413.503 1.523 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1740932173 INJRGJQLLAXIRM-UONOGXRCSA-N 402.467 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1740954084 BIFRDKVKNZHPMG-HNNXBMFYSA-N 416.482 1.864 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1741876965 HEAVZEARUXISES-SJLPKXTDSA-N 416.551 1.627 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1746506251 XDOSTLKNNBJRSC-OALUTQOASA-N 424.505 1.699 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1747572090 FIMOXHXRTLVJFN-GOEBONIOSA-N 413.457 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NCC(F)F 1748679735 IKYMIBRQWOOOBP-CQSZACIVSA-N 405.449 1.911 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1748804619 JIKAGZIYMMPANH-HNNXBMFYSA-N 409.899 1.341 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)nc1OC 1748901051 PWXHSAZOIYPDMR-UHFFFAOYSA-N 422.489 1.324 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1748931019 IERGNPARVZFXLW-AWEZNQCLSA-N 401.496 1.082 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccnc2OC)CC1 1749015176 ADKBZILVDQSYFG-UHFFFAOYSA-N 408.506 1.648 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CC=CCC1 1749096856 NROHAMKGRLGLJE-GOSISDBHSA-N 424.505 1.856 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749187826 PTKZNZSKTLCFFO-UHFFFAOYSA-N 410.482 1.950 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749721883 WDMQCIVVSWLSJD-CABCVRRESA-N 418.585 1.406 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749754258 INMZBOWVJVQRDI-INIZCTEOSA-N 420.583 1.843 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)cn1 1749851926 KZJJVESUXAPTBR-IBGZPJMESA-N 407.478 1.933 30 10 HDEE CC(=O)Nc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1749907401 FAYNFYUNJYWCRX-HKUYNNGSSA-N 410.478 1.908 30 10 HDEE COCCOC1(Cn2c(C3CCC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1750028580 XETIAXQMIUUXLV-KRWDZBQOSA-N 405.499 1.487 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc(Cl)cn1 1751193414 BBNGDEMIRFNDSC-VXGBXAGGSA-N 414.923 1.177 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760129356 KKESFRDAJPSUBP-INIZCTEOSA-N 413.482 1.587 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1NC(=O)CC1(C)C 1760205574 FCWUMXGAEVYQCA-OALUTQOASA-N 419.485 1.778 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1760226348 CPPDMXIUJHOPFE-UHFFFAOYSA-N 417.535 1.677 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760346440 ZYTDQJNFESOWSB-KBPBESRZSA-N 408.484 1.026 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)CC1 1760397431 SRUIFTOQFAVRDK-MRXNPFEDSA-N 410.588 1.777 30 10 HDEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760429132 SKILPXMVWSEKOF-QGZVFWFLSA-N 400.527 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760517135 DOHKHBANOQQQLZ-QFIPXVFZSA-N 422.489 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=CCC1 1760517222 GVYWHIZGIXZRDY-UHFFFAOYSA-N 401.492 1.417 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cnccn1 1760528902 QIQWWYRFBODIIM-CYBMUJFWSA-N 401.381 1.558 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)C1 1760539158 YTXZQCSZZNZQRM-RXVVDRJESA-N 416.526 1.882 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCOCC2)C1 1760541723 GQTRQIMDHHKSOF-CVEARBPZSA-N 421.567 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](COCC)C1 1760555214 ACRCYDAYBRJJPQ-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1761542094 BORZHGPYVMZQQS-DNVCBOLYSA-N 417.539 1.827 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1764996270 LVGATGDOAJIWLD-HOTGVXAUSA-N 416.432 1.956 30 10 HDEE Cc1noc(-c2ccn3c(CC(=O)NCC#CCN4CCCCCC4)nnc3c2)n1 1850618695 GDDHUOXXRAJADI-UHFFFAOYSA-N 407.478 1.626 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCc1ccc(C#N)cc1 1851196043 LPHXSDVLBMQKSL-SFHVURJKSA-N 400.504 1.980 30 10 HDEE COc1ccc(OC)c(CC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1 1851262595 UOAGQLPWVRONNC-UHFFFAOYSA-N 420.473 1.775 30 10 HDEE Cc1nc(=NC(=O)c2cc(Br)cnc2N2CCOCC2)c(C#N)c[nH]1 1851502600 QRZGTZVYCBYAIG-UHFFFAOYSA-N 403.240 1.325 30 10 HDEE COc1ccc(N(C(=O)CN2C(=O)CCC2=O)c2nccc(N(C)C)c2C#N)cc1 1852230987 RADNJLBBZAWSDK-UHFFFAOYSA-N 407.430 1.842 30 10 HDEE CN1CCC(N2C[C@H](C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)CC2=O)CC1 1852497069 LLTWTMYKFKOTDB-LJQANCHMSA-N 418.501 1.824 30 10 HDEE CS(=O)(=O)N1C[C@H](C(=O)NCC2(C#N)CCOCC2)Oc2ccc(Cl)cc21 1853152446 RFTZFVCDUXPQRJ-OAHLLOKOSA-N 413.883 1.304 30 10 HDEE Cn1cccc1C(N)=NOCCc1nc([C@H]2CC(=O)N(CCc3ccccc3)C2)no1 1853544885 HQLYMFUSZRYTST-KRWDZBQOSA-N 422.489 1.846 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853821325 GCNWEQNSLHOADE-IAGOWNOFSA-N 400.479 1.074 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1=O 1853828833 OWIDWQCKMLBPDR-HZPDHXFCSA-N 400.479 1.403 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN([C@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065284 MTJPETKWUVJQQG-PMACEKPBSA-N 414.554 1.867 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854228419 MEKVZFZYIJSZED-RTBURBONSA-N 414.481 1.512 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(Cc3nnc(C(F)(F)F)o3)C2)CC1=O 1854320442 OKPNSPPVYDSRCO-LBPRGKRZSA-N 401.389 1.300 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1854558588 QXMGTTWQWHQIAG-SJLPKXTDSA-N 405.520 1.719 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3nccc4ncccc34)C(=O)C2)C1 1855045549 GIYYAWUKJFEWKC-IRXDYDNUSA-N 406.490 1.681 30 10 HDEE Cc1cc(OCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc(C)c1Cl 1855120970 KWQPYTHLXNXWOI-QGZVFWFLSA-N 418.925 1.994 30 10 HDEE CN(Cc1ncnn1C)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855542647 BWOMQPFROUVLBJ-MRXNPFEDSA-N 400.870 1.798 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCN(Cc3ccc(C#N)cc3)[C@@H](C)C2=O)c1C 1855642230 FZWLMDIKPOBESQ-INIZCTEOSA-N 407.474 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C(=O)CN(CCC#N)c3ccccc32)C1 1856123845 LTORCUORTJCWMA-KRWDZBQOSA-N 414.462 1.916 30 10 HDEE N#CCCN1CC(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)c2ccccc21 1856132705 PHJRVFLOSSYSAS-UHFFFAOYSA-N 403.402 1.335 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)Cn3cnc4ccccc4c3=O)C2)CC1 1856157070 CVEIZECHBJJNEV-KRWDZBQOSA-N 407.474 1.397 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3C[C@H](C4CCN(CCC#N)CC4)CC3=O)c2c1 1856171428 DEZJPDKCJBHYQJ-QGZVFWFLSA-N 410.474 1.904 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnc3ncc(Br)cc3c2)CCN1CCC#N 1856182700 KVGHNVIACQVUKT-NSHDSACASA-N 402.252 1.979 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856532365 UTGHMGOBAWYFQB-WMZOPIPTSA-N 404.474 1.849 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1F 1857040516 FOMPMAXFICLTNN-MRXNPFEDSA-N 407.467 1.688 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN([C@@H]3CCCCC3=O)C3(CCCC3)C2=O)CC1=O 1857117369 OGWBREAHZAKACA-IAGOWNOFSA-N 401.507 1.516 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1857485050 AUYVQYQHYCDGME-SJORKVTESA-N 423.510 1.614 30 10 HDEE C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](c1ccc(O)cc1)N(C)C 1869927852 FVNXTCOQUWIBKR-SUMWQHHRSA-N 416.503 1.238 30 10 HDEE N#Cc1cccc(C(=O)Nc2nc(N3CCCC3)nn2[C@@H]2CCS(=O)(=O)C2)c1 1869971934 WKBHWNRBPFRWSL-OAHLLOKOSA-N 400.464 1.362 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1F)N1C(=O)c2ccccc2C1=O 1870107178 WRPQZXKAMQAYDT-LBPRGKRZSA-N 418.388 1.960 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2ccccn2)cn1C[C@@H](C)O 1870501922 WUZHAMAZAJRTFK-QGZVFWFLSA-N 412.490 1.816 30 10 HDEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN(CCO)Cc1ccccc1 1870509627 IIZVVYGCRZXGSB-UHFFFAOYSA-N 413.518 1.932 30 10 HDEE C=CCOc1cn(CCN(C)C)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870812261 AFQBFJPTHFRDSQ-UHFFFAOYSA-N 410.474 1.813 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C4CC4)on3)CC2)CC1 1889311718 GTRTVSGYYHJYDH-UHFFFAOYSA-N 400.523 1.814 30 10 HDEE C#CCO[C@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1963991887 UEEDNSGVYWDFCH-INIZCTEOSA-N 418.515 1.753 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1n[nH]c(C2CN(C(=O)OC(C)(C)C)C2)n1 2012286891 VPHUFYCPUZFCFD-UHFFFAOYSA-N 422.305 1.789 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)N1CC[C@@H](C#N)C1 2118154645 JYPPXARJQJFSFL-CANCMXDXSA-N 408.546 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)c2cncc(C#N)c2)CC1 2118164123 VXUIAXGOKWLQAT-UHFFFAOYSA-N 400.482 1.361 30 10 HDEE C#CC1(CNS(=O)(=O)c2ccc(I)c(C(=O)O)c2)CC1 2146524176 QXWQFKILPQOAHA-UHFFFAOYSA-N 405.213 1.681 30 10 HDEE C[C@@]1(C(=O)O)CC(F)(F)CN1C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F 2180576720 IMUZVQQJCWOBEI-DTWKUNHWSA-N 400.222 1.697 30 10 HDEE C[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2243662500 BEYIHRKLFFSCIS-QWRGUYRKSA-N 424.332 1.596 30 10 HDEE Cc1c(C(=O)NCCNOCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247781665 QJYRRXZLHOTKEI-UHFFFAOYSA-N 414.315 1.479 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247814801 UQHNARYFTFWMHK-YJBOKZPZSA-N 410.327 1.959 30 10 HDEE Cc1c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825357 CGMCNSMXZFPUFQ-QWHCGFSZSA-N 420.319 1.423 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)cccc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2247927422 ITDBJUHJVWPGLA-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248404936 QCFGHFOGXQYSFT-UHFFFAOYSA-N 421.303 1.861 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1C#N 2258195593 FRNRTODIVVZQFU-MEDUHNTESA-N 415.393 1.574 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=[S@@](C)(=O)C3CNC3)sc2Cl)OC1(C)C 2267132643 RXLYVLWAUKJJLW-VWLOTQADSA-N 404.750 1.911 30 10 HDEE C[C@H](CCO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353154 JPMVEMOIDRODET-SNVBAGLBSA-N 409.766 1.998 30 10 HDEE CN([C@H]1CC[C@H]1N)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704464 OAYBGWJDHFCHQF-MNOVXSKESA-N 406.766 1.811 30 10 HDEE C[C@@H](C#N)C1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270532834 ZVBXJYVOTBUEJD-YOEHRIQHSA-N 423.491 1.567 30 10 HDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272087085 VTPMGLRLUFXJIN-VQTJNVASSA-N 424.494 1.744 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCS(=O)(=O)C1 2281959721 PTKBAYXALDSQML-NSHDSACASA-N 400.331 1.058 30 10 HDEE Cc1nc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282014936 UBBPDJSWDGNUDZ-XYPYZODXSA-N 400.331 1.056 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC[C@@H]3O)cc2Cl)OC1(C)C 2282311334 HDKOYJFQNNKYOW-QWRGUYRKSA-N 423.749 1.129 30 10 HDEE C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336573 FYDSLAUZXWOFTL-JSGCOSHPSA-N 400.375 1.938 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CCNCC1 2282341293 QCCYETDZJJLEBU-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@@H](C3OCCO3)C2)OC1(C)C 2282346913 RANUJCJTONHUQN-OAHLLOKOSA-N 423.340 1.759 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H]2CCCO)OC1(C)C 2282492297 QOBRHUQHMUBHFP-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282506125 NRBFQHOUZWQPKN-ZDUSSCGKSA-N 400.737 1.622 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282610594 YWJSLRPGLAKLGJ-SKVICXGVSA-N 401.725 1.619 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282648329 MVTUCZLXCLEDPI-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cn1cncc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830728 ZDSWJKKJEQQMCK-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CNC[C@@H]1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282831306 IFTZOYMGRJOZSY-ZDUSSCGKSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCc2csnn2)OC1(C)C 2282833543 ILBUTXZKZXBYCQ-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837626 FTZOUEUHTGXYIZ-CHWSQXEVSA-N 402.347 1.381 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2([C@H](C)O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282870422 RRMMMMFZWNMDHR-LBPRGKRZSA-N 401.359 1.856 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282882805 RACJWOKAXMRRNA-FZMZJTMJSA-N 400.375 1.699 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](C(=O)O)C2CC2)OC1(C)C 2284398820 CEKQDHBTBKAEQG-GFCCVEGCSA-N 401.315 1.330 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NO[C@@H](C(=O)O)C2CC2)OC1(C)C 2284415991 SIUOMWRPXFZOCC-LLVKDONJSA-N 403.287 1.120 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@H](O)CC3)c2Cl)OC1(C)C 2284566480 GQHQJWHLABKHLZ-TXEJJXNPSA-N 401.721 1.659 30 10 HDEE C[C@@H](NS(=O)(=O)CC1(C)COC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2287112273 GHQZQZDCGJANAN-LLVKDONJSA-N 402.347 1.459 30 10 HDEE CCc1csc(C#C[C@H](N)[C@H](O)c2nn(C)cc2I)n1 2363923827 IGOVPSMKIPBWDZ-GWCFXTLKSA-N 402.261 1.456 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC(F)(C#N)C2)OC1(C)C 2365075249 TVWBBNPLCGYIGK-UHFFFAOYSA-N 400.668 1.875 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367785845 GMABEHLSGOWFSI-PMPSAXMXSA-N 402.557 1.863 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F 2367806349 JQMCTOBMQACUHB-IHRRRGAJSA-N 406.495 1.951 30 10 HDEE C#CCN1CCC(=O)N(C2(C(=O)O)CCN(C(=O)OCc3ccccc3)CC2)C1=O 2371367439 QMDBCQHZHWAMHY-UHFFFAOYSA-N 413.430 1.530 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCC(C(=O)NC)CC2)cc1 63391908 ANPZLLNTDBGRPI-UHFFFAOYSA-N 408.524 1.919 30 10 HDEE CN1CC(=O)N2[C@H](C[C@@]34O[C@@]3(Nc3ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 77313170 KHIZOIVUANRQQJ-VVBCARDSSA-N 405.410 1.577 30 10 HDEE in-vitro C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)[C@@H](C)Oc4ccc(N)nc43)cc21 96496149 RJAHOBXTEKORSU-GFCCVEGCSA-N 408.414 1.572 30 10 HDEE CN1CCN(C(=O)CSc2nc(N/N=C/c3ccc([N+](=O)[O-])cc3)n[nH]2)CC1 253569538 MKYUDLAATTYHGT-LICLKQGHSA-N 404.456 1.025 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(F)cc2OC)CC1 410126859 FSDCQDWXPXUNBW-UHFFFAOYSA-N 400.476 1.063 30 10 HDEE Cc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(C2CCOCC2)n1 434146292 WEHCJXQZGBINDW-OAHLLOKOSA-N 410.482 1.947 30 10 HDEE C=CCN(C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1)[C@H]1CCS(=O)(=O)C1 441792997 ZXHLTCSBDNPXPR-INIZCTEOSA-N 404.496 1.540 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@@H]1c1cccn1C 442205994 YRYLLVXIUQFTRU-GOSISDBHSA-N 417.473 2.478 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 447182801 QFBSFTMVMVISAI-CRAIPNDOSA-N 410.492 1.636 30 10 HDEE CCCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCS(=O)(=O)C1 462093636 RPVOOQLLPOZEEN-MRXNPFEDSA-N 402.480 1.960 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)CC1 466165589 MHKCCPTWGGIKOE-UHFFFAOYSA-N 414.485 1.183 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 469002986 OZGSQJHRFAFPJS-WAOWUJCRSA-N 402.491 1.958 30 10 HDEE CSc1nc(O)c(C(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1C#N 476530089 CVCZELMOJHIOEJ-UHFFFAOYSA-N 418.500 1.834 30 10 HDEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1 476604164 CJQVTSAXYNMJAU-KRWDZBQOSA-N 421.457 1.539 30 10 HDEE CCn1c(=O)c(=O)n(CC#Cc2ccccc2)c2cc(S(=O)(=O)N(C)C)ccc21 478540854 UJLBQBCDBAKHAU-UHFFFAOYSA-N 411.483 1.485 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)CC)CC3)cc2C1=O 481224730 GIEAQAYFZIGKTH-UHFFFAOYSA-N 405.476 1.013 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482174619 YJKJHEKOACNCLB-PBHICJAKSA-N 406.508 1.084 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483455887 DYWYSNOXSOTJEG-CQSZACIVSA-N 405.480 1.786 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2scc(C3CC3)c2C(=O)OC)CC1 506850744 KVGLWAZIOSXAHY-UHFFFAOYSA-N 406.508 1.864 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 508605043 RFMHZFUAQNXVAT-HXUWFJFHSA-N 400.435 1.939 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N(Cc2ccc(C#N)cc2)C2CC2)C1 512695058 RICKOWJUQYGSCH-QGZVFWFLSA-N 405.524 1.503 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC(C)C 518045283 LYFBOEYBHQRZLG-UHFFFAOYSA-N 412.540 1.733 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ccc4nccn4c3)C2=O)cc1 520446273 FKKUWZXWFWVKHS-QGZVFWFLSA-N 402.414 1.456 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NC3CCCC3)cc21 526847390 XYYPLHUGHOCUQY-MLNJSSBLSA-N 418.515 1.977 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 540454236 FVKZINDDBWYYML-LLVKDONJSA-N 402.405 1.586 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccs3)CC2)n1 545489863 LJDGGAMXBIDVBR-UHFFFAOYSA-N 405.505 1.032 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4F)C3)CC2)n1 546169884 QQLGJYSKDMOCRC-AWEZNQCLSA-N 411.412 1.933 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 549271589 LMUJUBXHVJUVCA-CQSZACIVSA-N 417.432 1.837 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 555238434 RFLFNKUXGQVTFB-OAHLLOKOSA-N 404.492 1.924 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cnccn2)CC1 568106467 FUVUJWGXXHTHLG-AWEZNQCLSA-N 421.527 1.302 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 568522590 ZDBWOUSPCLEILJ-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC3CCCC3)nc2)CC1 604168149 XKYAYOOAMCHISW-UHFFFAOYSA-N 401.511 1.532 30 10 HDEE CCn1nc2c(cc1=O)CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC2 610283740 DDOLOARMUHAMPZ-UHFFFAOYSA-N 403.446 1.317 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669816272 MUHYHSBYSMMTNQ-CQSZACIVSA-N 421.523 1.666 30 10 HDEE CC1CCC(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)CC1 731409900 DKVQXOIMXGSSCB-GMXGEUMGSA-N 403.504 1.931 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1Cc1ccccc1 732561219 JDMZNUNRPAEGCG-UHFFFAOYSA-N 421.526 1.204 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732664832 VMKQJFRLIPMPDR-SFHVURJKSA-N 418.563 1.851 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cc1csc(NC(=O)C(C)C)n1 734294026 YEQRIUDOVJCAOF-UHFFFAOYSA-N 406.489 1.965 30 10 HDEE CCN(CC)Cc1cccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 737304786 BPLGQIULGILWLM-HNENSFHCSA-N 413.478 1.110 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1Br 739726340 AQZLODHGIYMGON-SQFISAMPSA-N 409.196 1.614 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1C 747250956 QAGZHBTUFGSSDN-GFCCVEGCSA-N 406.323 1.569 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2[N+](=O)[O-])c1=O 748065408 NFUWPDHBHQLARQ-UHFFFAOYSA-N 413.455 1.337 30 10 HDEE N#Cc1cnn(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)c1 752911043 YDRLAFKEZIZNBT-UHFFFAOYSA-N 400.464 1.644 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755064215 JLKBKUKOPRXHAG-UHFFFAOYSA-N 424.507 1.808 30 10 HDEE C#CCN(C(=O)CSc1n[nH]c2nc(NCC)nc(=NCC)n12)C1CCCC1 757180770 XBOVLJJIRKSJAC-UHFFFAOYSA-N 402.528 1.301 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765898719 JPMXCXLOEWPUND-CXAGYDPISA-N 403.460 1.083 30 10 HDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1 768145089 MAAVYVQYDQSJDM-UHFFFAOYSA-N 424.232 1.621 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1nc2ccccc2n1C1CC1)c1cc[nH]n1 772549646 TWWODUKCYVEWKC-UHFFFAOYSA-N 410.434 1.695 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCS(=O)(=O)C1 774184771 DLXRAFDEEBYYBK-DLBZAZTESA-N 409.577 1.792 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 774252131 RODQAQMHKNNTFS-MOPGFXCFSA-N 420.531 1.885 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 779570278 NWXQOVWDNFFMIF-BKJYESAMSA-N 421.498 1.458 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 780940408 NVZWKCSWQFVBLT-NQIIRXRSSA-N 422.489 1.003 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)CCCC1 786294686 WFVIRVZDANIGIL-FQEVSTJZSA-N 417.510 1.677 30 10 HDEE C=CC[C@@]1(C(=O)OCc2nc(CC(=O)NC)no2)CCCN1C(=O)OC(C)(C)C 791717131 QIAROMZTRJVOLQ-IBGZPJMESA-N 408.455 1.747 30 10 HDEE C=CCN1CC[C@H](OC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)C1=O 798586919 SNMLBPBJWRCHPZ-GJZGRUSLSA-N 411.480 1.022 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)[C@@H](C)CSC)CC2)n1 799378078 YEYPDZDTWDNOKR-KRWDZBQOSA-N 420.579 1.729 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccccc1 802304352 GNWBVBUKJYQBDF-LJQANCHMSA-N 407.522 1.836 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 813729594 GYRVXVAVXGGUEN-HFTQHKIXSA-N 413.455 1.981 30 10 HDEE CN1CC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 849490742 PJTXOCBTZKNHKU-BDTNDASRSA-N 406.534 1.864 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)CN(/C=C/c3ccccc3)C2=O)CC1 917422536 HDZXOETXATTWPP-CSKARUKUSA-N 402.458 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCCNc3ncccc3C#N)CCC2)C1 1136423911 BQCYOFSGHQGAOW-UHFFFAOYSA-N 415.494 1.633 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 1137345565 NYELOZRNHLJMOR-SFHVURJKSA-N 415.490 1.983 30 10 HDEE C/C(=C/C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)CN1CCOCC1 1148732069 OQKAACGLYRUYIK-JXAWBTAJSA-N 422.533 1.962 30 10 HDEE CC(=O)OC[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1154151180 BIKZIGFQGWFIPN-WMZOPIPTSA-N 417.462 1.433 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OCC)C(=O)OC 1155779712 UDANLEAHCUCADY-IAGOWNOFSA-N 404.463 1.550 30 10 HDEE Cn1cc(C(=O)CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1157776205 OPNZEEWQDXROJY-UHFFFAOYSA-N 417.491 1.018 30 10 HDEE CC(C)c1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccccn1 1159489883 KFOIOMBZQYSXMV-UHFFFAOYSA-N 405.418 1.222 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 1168494082 IRBDLDRPZGPXDL-UHFFFAOYSA-N 413.499 1.699 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)c1 1177040812 VFJDZSVIJASESL-INIZCTEOSA-N 416.459 1.072 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1179422688 KKFYMIKZVHWXRP-YCRPNKLZSA-N 406.479 1.877 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCS(=O)(=NS(C)(=O)=O)CC1 1194633584 WPEBUNHOWMXONM-CQSZACIVSA-N 419.594 1.394 30 10 HDEE C#CCN(CC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1)C(C)C 1198026104 ABSOEOUKXJKUBN-UHFFFAOYSA-N 403.527 1.950 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1S(=O)(=O)c1cc(Br)ccc1C#N 1213519323 FNSGFRHJOSRZHF-VWYCJHECSA-N 400.298 1.949 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1nn(C)cc1I 1246899487 QKIUPKBRLLCFFF-GXFFZTMASA-N 404.252 1.805 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)Cc1ccc(F)cc1C 1252285918 BXHFYNULFVSFFA-INIZCTEOSA-N 418.469 1.527 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1)[C@H]1CCS(=O)(=O)C1 1264995449 GZTGITHZTVJGOA-MSOLQXFVSA-N 412.515 1.465 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(OCCOC)CCOCC1 1286299275 CDHLYKCNYVHKHT-SFHVURJKSA-N 413.522 1.934 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286320666 FOKOGLHFUDOJOQ-UHFFFAOYSA-N 424.509 1.928 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1286393181 KPONCPCUVGOENX-QZTJIDSGSA-N 424.567 1.616 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1286598805 DODHVKQPTNJPIO-SIKLNZKXSA-N 418.586 1.723 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286705063 OPKASVILMMLLRK-ABSDTBQOSA-N 424.567 1.983 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1286790797 XBGAFJSXDUMWMP-UHFFFAOYSA-N 423.521 1.613 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2cc[nH]n2)C1 1286812674 RUJJXNRJCOXUKD-KRWDZBQOSA-N 422.493 1.198 30 10 HDEE CCO[C@@]1(c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)CCOC1 1296527254 PJIPMKMQOXZCQB-FQEVSTJZSA-N 416.482 1.404 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(N(C)C)nc1 1300673318 HVXLWNIYPONPFP-UHFFFAOYSA-N 405.506 1.859 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)[C@H](C)COC 1300717911 SRGOTWLCRKYGDJ-GFCCVEGCSA-N 405.314 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2=CCCOC2)CC1 1300722993 ONMPWKKZABZMBF-UHFFFAOYSA-N 420.517 1.961 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1300763781 SHRJBKWOYWTUQE-UONOGXRCSA-N 400.595 1.488 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300850945 GLIQXDPMUXQJTG-CQSZACIVSA-N 418.299 1.386 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCN2CC=CCC2)cc1 1302993522 DBHXRAUQJPSPHU-UHFFFAOYSA-N 421.505 1.317 30 10 HDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1304716843 BKKWXKNRBAPALF-MRXNPFEDSA-N 416.489 1.825 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 1306652491 SVPOWJLISMXWFR-LPHOPBHVSA-N 416.547 1.952 30 10 HDEE COCCOC[C@@H](O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1307653550 HJHZPVGHOMWBPP-ZWKOTPCHSA-N 412.328 1.655 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CSCCS1 1316212753 XQMFPUGTLUTMLS-QLFBSQMISA-N 413.569 1.579 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)CCO1 1327188378 AITDXRJFGVCHHH-ZWKOTPCHSA-N 424.509 1.360 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)nn1 1350477285 XCMAOHLQJDMTRO-UHFFFAOYSA-N 402.430 1.516 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358880050 DBMPLJCCVKMDAM-HNNXBMFYSA-N 418.519 1.351 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1358889324 AGFOLCWLNVLULO-CRAIPNDOSA-N 402.520 1.833 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)(F)F 1358937356 SBXDNYMPRSKKQP-UHFFFAOYSA-N 422.411 1.895 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358963443 IESUYHDPTMQITA-OXJNMPFZSA-N 420.535 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(=O)Nc1ccc(F)cc1 1358990900 GTVWCXMPMSJNKL-UHFFFAOYSA-N 403.421 1.976 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)NCC=C 1359017713 PEHMFADAEJBSRS-UHFFFAOYSA-N 424.480 1.482 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2C[C@H]2C)n1 1359027558 NLVHSHRATIFKQB-SJORKVTESA-N 406.494 1.874 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1COCCO1 1359063600 YQWPDJLIPQXJRL-IIBYNOLFSA-N 410.478 1.723 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359070772 UJZBGEZMIRYEOZ-DIYRITFWSA-N 410.478 1.301 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC 1359113949 UIYQOTJPSXCHRQ-HNNXBMFYSA-N 401.533 1.050 30 10 HDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1359124641 WNZYDZYEWSZMGF-UHFFFAOYSA-N 415.494 1.913 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1359142284 DQTVKSFLJBQFHR-UONOGXRCSA-N 405.952 1.894 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@](=O)CC)CC1 1359162477 RWECLEAVJRIHEJ-GDLZYMKVSA-N 412.523 1.846 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cnccn2)CC1 1359296241 BTNPVNFCLMCQMU-UHFFFAOYSA-N 404.478 1.364 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359296315 FHULGBMLMUTIFX-OPAMFIHVSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCSC1 1359304522 ZVRYQUABHHKTMV-INIZCTEOSA-N 412.519 1.973 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)N(C)C)C1 1359317320 GPBINFAKPHCXQR-KRWDZBQOSA-N 419.551 1.926 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1360476553 NRYXCYYMAYDVNY-YESIBHTGSA-N 413.482 1.784 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCOCC1 1360693090 FGNJFRZLKDVGKR-KSSFIOAISA-N 410.544 1.445 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OC 1454716498 KMLZGVJNVJFRRY-MRXNPFEDSA-N 419.503 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2CCN(CCC#N)CC2)C1 1454909330 OCMZYYAUYOFUTG-HNNXBMFYSA-N 402.499 1.806 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1C 1458808993 HSDNKINNHFWJAO-PIGZYNQJSA-N 409.537 1.756 30 10 HDEE CN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H](O)c1cccc(C#N)c1 1460356358 PBNMHBAFIKGIQD-KRWDZBQOSA-N 422.894 1.463 30 10 HDEE CCC1(N2CCCC2)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1460579836 QBUIDODQZSCHND-UHFFFAOYSA-N 414.554 1.844 30 10 HDEE N#CCCn1ncc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1-c1ccccc1 1461160913 MQIZWVGNEVWKRC-HXUWFJFHSA-N 414.487 1.493 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CCO2)cc1 1463100669 OSHOTBNZAYSHKD-KRWDZBQOSA-N 420.381 1.663 30 10 HDEE Cc1nn2cccnc2c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1463247341 DSVPYHZPOODGMJ-CYBMUJFWSA-N 406.468 1.171 30 10 HDEE C=CC1(CC(=O)NCCS(=O)(=O)NC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1464109264 CEGQYIHBKAMKBR-UHFFFAOYSA-N 403.545 1.634 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C(F)(F)F)nc3n2CCCC3)CC1 1464851594 YQGZZLWKXBKFOZ-UHFFFAOYSA-N 411.428 1.136 30 10 HDEE C#C[C@H]1CCCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1465206033 UDBFPICHFTUMNF-HNNXBMFYSA-N 407.492 1.736 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nnn(C(C)(C)C)n2)cc1 1465259099 LWDZPFRKBSEHNR-UHFFFAOYSA-N 407.500 1.556 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]n1 1466737710 RTAKMSMGLNFPRC-FZMZJTMJSA-N 405.455 1.854 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C1CCOCC1 1467372997 XSGPMORQRKWNRE-KRWDZBQOSA-N 401.467 1.897 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H]3c4cccc(Br)c4C[C@H]32)CC1 1467813597 BLOAYAJCJIHXAK-AYOQOUSVSA-N 416.319 1.228 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)nn1 1468393818 FBTSWXLAKLCAAJ-UHFFFAOYSA-N 406.512 1.291 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCO[C@H]1C1CC1 1471773093 CGLLFWRQDFSBGC-NUJGCVRESA-N 405.520 1.824 30 10 HDEE C#CCN(CC(=O)NC1CCN(C(C)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1473796047 ASTBZHREOODQCF-UHFFFAOYSA-N 420.554 1.448 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1475677972 WLOQZERCQJYVFM-NSHDSACASA-N 412.309 1.673 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1477409330 LRPLHUZAEASFMV-IBGZPJMESA-N 418.563 1.545 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1499105314 TYZMOUARHPWMRV-QHCPKHFHSA-N 421.549 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CN(C)C1=O 1507704718 JABRQLFQBPXMNS-IBGZPJMESA-N 402.886 1.558 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1507807626 FBDFHRQWGPQKHL-WIRSXHRWSA-N 417.510 1.640 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C)C(=O)C1 1507841611 ZIHAOYMIWKJJLO-UHFFFAOYSA-N 413.478 1.587 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1507872658 FCTDBFYBNHOSOT-APWZRJJASA-N 413.950 1.840 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1C 1508035903 GVTWYDNTYVJWQF-UHFFFAOYSA-N 424.509 1.963 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C)C(C)(C)C1 1508140263 HFRHQCPUFQDXGM-LSDHHAIUSA-N 409.556 1.702 30 10 HDEE CC(C)N(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509522404 LLUHCRHTLANKKM-QGZVFWFLSA-N 424.509 1.104 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512431957 SVZNMDFECSPELD-HMWBCQRISA-N 411.466 1.415 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1516179084 ATYXOLUZTSMNSI-PMACEKPBSA-N 422.505 1.534 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)cnc3F)CC2)c1C#N 1529120713 YOWZBDOHHUSWSI-UHFFFAOYSA-N 407.247 1.859 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1 1531182626 UQTGOROTOQDRII-GOSISDBHSA-N 413.474 1.988 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1532325514 WRRAQMQNJUHZEO-YJBOKZPZSA-N 405.520 1.672 30 10 HDEE CCCCN1C(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2C1=O 1538760829 HQRMAFAKRBRXKY-VBKZILBWSA-N 415.471 1.093 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1539224988 LAGFPGLPWZTXFW-KRWDZBQOSA-N 421.567 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@](C)(CC)O1 1539323161 DHBYLHLHCKFIBY-OPYAIIAOSA-N 418.563 1.991 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1539326444 VWUVMSXVFHBVQZ-KRWDZBQOSA-N 419.551 1.264 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1539530560 IORBHWYEHZOCBQ-FTRWYGJKSA-N 419.551 1.011 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539701424 FYWYZRYYAXETON-KRWDZBQOSA-N 404.515 1.670 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1539758170 IBHODBUTRRCZJM-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc3nccc(C(F)(F)F)n3n2)CC1 1540523118 VKUNXMGJYRAQJK-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540857279 MPHVVYDNPFVXQN-OAHLLOKOSA-N 412.498 1.321 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1540918322 OOTGHFWIAOCJCH-UHFFFAOYSA-N 413.555 1.832 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2cccc(I)c2N)nc1 1543449352 BUEKFHXGDGHAJK-UHFFFAOYSA-N 407.215 1.982 30 10 HDEE C#CCN(C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1543462041 JILOBAWYVVNXOF-MSOLQXFVSA-N 418.515 1.683 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)c1 1545029305 PBHGHUSWJQIYIW-HNNXBMFYSA-N 421.500 1.292 30 10 HDEE COC(=O)c1cccn(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1=O 1545718582 LJWKDGSVOQEKJE-UHFFFAOYSA-N 410.430 1.106 30 10 HDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CCOCC1 1548369272 TVKVPRNYGDKTTD-KRWDZBQOSA-N 424.423 1.767 30 10 HDEE C=CC[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OCC 1556153995 OSGVUWIHZCCIEG-HNNXBMFYSA-N 417.491 1.784 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 1557616665 YIMMUUHJRRJLGT-MBNYWOFBSA-N 419.425 1.793 30 10 HDEE Cn1cc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2cccnc21 1557985911 URIVDCROAFXNBH-UHFFFAOYSA-N 400.435 1.982 30 10 HDEE C=CCn1cc2ccc(NC(=O)Cn3cc(Br)c(O)nc3=O)cc2n1 1558513598 RBNPTJZHIWTDFB-UHFFFAOYSA-N 404.224 1.886 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(c3n[nH]c4c3COCC4)C2)c1 1558819675 BKJFQUZTGNMYGE-UHFFFAOYSA-N 402.476 1.186 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC 1561876272 PHYSRGAXUCKZGF-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)s1 1564400913 RFMPQRZKRLNCMH-MRXNPFEDSA-N 404.517 1.673 30 10 HDEE CS(=O)(=O)[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1565809598 PTWKYFGBTLNQDN-NEPJUHHUSA-N 402.469 1.209 30 10 HDEE CCCc1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)cnn1-c1cc(C)ccn1 1567327615 CZVJEWJLRJTAOF-UHFFFAOYSA-N 407.434 1.691 30 10 HDEE C#CCOc1ccc(CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1 1569241125 PKKJFPXNHCJCAI-UHFFFAOYSA-N 411.483 1.909 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 1583812024 QAVKOXUVCUBIOH-KRWDZBQOSA-N 412.471 1.131 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(C#N)cn1CC 1584127900 AVRFHUSQANBYDJ-IBGZPJMESA-N 401.423 1.215 30 10 HDEE CSc1ccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1C#N 1584324712 HKJTWJKNZKRPHQ-OAHLLOKOSA-N 418.519 1.974 30 10 HDEE C=C(C)C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C(=O)OC 1588127582 VZVMWNMIOIKBIN-INIZCTEOSA-N 400.472 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1588228995 OPJRBLLMHDEYGW-RBUKOAKNSA-N 407.522 1.647 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1Cc1cn(C2COC2)nn1 1588605034 WLXJUIDQZJCFTB-UHFFFAOYSA-N 421.505 1.805 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC2CC2)CC1 1595506958 RUEOISPZWJFFIF-UHFFFAOYSA-N 415.929 1.828 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3ccnc(N(C)C)c3C2)ccc1F 1607634334 PKYNMLFXWQPICO-UHFFFAOYSA-N 418.494 1.950 30 10 HDEE CC[C@@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613085667 NFGMEZMXSQXALQ-SPLOXXLWSA-N 412.494 1.868 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1616665994 XYFPAPSOTSRILJ-IKGGRYGDSA-N 424.571 1.757 30 10 HDEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C1CC1 1617215737 HTMYCWLHEQLKLS-YWZLYKJASA-N 414.506 1.897 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1617317716 FYAMSJOPEZDXFO-UHFFFAOYSA-N 413.507 1.621 30 10 HDEE CN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(CCC#N)CC1CC1 1617618498 BHCIYPRHNJSMRR-UHFFFAOYSA-N 415.523 1.488 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccccc1OCC#N)CCS2(=O)=O 1618581145 LVNCHPHNBUJHHK-SHYRYGCCSA-N 406.460 1.218 30 10 HDEE C#CCC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCC1 1622598202 OBKGDEIYAGPBPJ-ROUUACIJSA-N 406.504 1.888 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1624172157 QNXICDRSFVJMQT-STQMWFEESA-N 409.936 1.563 30 10 HDEE CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@H]2C1 1629127483 DHPXDGXYYGBAHD-OWQGQXMQSA-N 407.467 1.500 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1629236018 QCGJDUFBWGWHOA-QZTJIDSGSA-N 408.543 1.611 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1630970092 IXBDAHMATAIGNM-HXUWFJFHSA-N 417.487 1.467 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 1631222901 ZYNZJSPEQAZDAF-NVXWUHKLSA-N 405.470 1.893 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1631506490 IUVHSWIPRIUYAF-SNAWJCMRSA-N 411.455 1.934 30 10 HDEE C[C@H]1COCCN1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633002047 JHAWFDLCFXGBTE-CLIJALBYSA-N 406.527 1.610 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(CO)C[C@H](OCC)C2(C)C)s1 1633086524 DULUGTQCNBALLT-KBXCAEBGSA-N 416.565 1.437 30 10 HDEE COc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1-c1ccccn1 1637513771 OJWDVMBJAAPSAE-UHFFFAOYSA-N 403.398 1.588 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)cc1S(=O)(=O)NCC#N 1637811967 BHRRLCCOJWVOLO-CVEARBPZSA-N 417.491 1.181 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](C)(C(=O)OC)C2)s1 1638218648 VTFVWDZSEOQFPH-QGZVFWFLSA-N 400.522 1.557 30 10 HDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)nn1 1638491901 VIAARKPGQSBXRR-UHFFFAOYSA-N 419.551 1.991 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C[C@H](N2CCOCC2)C1(C)C 1640584017 GBOSZJULHPOLDT-MOPGFXCFSA-N 410.522 1.766 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(O)(C1CC1)C1CC1 1641438063 HWDQFOLPHRGRSX-QGZVFWFLSA-N 419.547 1.951 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCCN(CCCO)C3)ccc2c1=O 1641572833 YQEDOXNCXURNMY-HNNXBMFYSA-N 402.520 1.448 30 10 HDEE N#Cc1cnn(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)c1N 1642520736 VCKXINCAKCKSOS-UHFFFAOYSA-N 410.253 1.229 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)C2)c1 1642540422 RSVWEDUOUQQDFP-UHFFFAOYSA-N 424.526 1.725 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1644470377 YRJJIVCPFAHWOR-FGTMMUONSA-N 419.547 1.768 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1644588450 AEYXBTBRBHELHB-GOSISDBHSA-N 406.504 1.582 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)cc1 1644597355 XVGZVJOKNAJFIK-CYBMUJFWSA-N 406.382 1.212 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1644856553 JIXRNLAXQXOTSL-MBGYTDRXSA-N 410.923 1.772 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)CC2=O)cc1 1645158172 IOPHFMUMTXYOLR-IRLDBZIGSA-N 418.497 1.794 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC(C#N)(c3ccccn3)CC2)CCC1 1645422209 VWSWUMGPVPSUCA-SFHVURJKSA-N 420.579 1.940 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CC12CN(C(=O)OC(C)(C)C)C2 1647760651 AFSDGRBXFKBCGL-HNNXBMFYSA-N 414.462 1.744 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccnn3C)CC2)c1 1648087932 ZOCHYMGVYLYHPJ-UHFFFAOYSA-N 400.504 1.175 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655669921 NRDUSBBUWXDTPI-QFBILLFUSA-N 422.526 1.044 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](c3ccccc3)c3nc[nH]n3)CC2)o1 1658924133 FHPANIWGTZBPGQ-IBGZPJMESA-N 420.477 1.343 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OC 1664237718 MYCBLQIDNLTTPM-CQSZACIVSA-N 400.522 1.829 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)C1 1671170636 PCRDBKDJFRZXJK-HNNXBMFYSA-N 409.508 1.334 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1677656525 HWLICDVSMUMPQO-HKUYNNGSSA-N 420.535 1.723 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)nn1 1682127399 FYCDMQSFPXNJCZ-HNNXBMFYSA-N 419.283 1.831 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)CC2)C1 1685289223 OUKWTKGNQGXXRS-UHFFFAOYSA-N 416.356 1.059 30 10 HDEE N#CCNC(=O)CNC(=O)NC[C@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1686403160 PZBCYJGTQVWRMX-ZDUSSCGKSA-N 412.290 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1690019699 PJEPMXMCLQCYHE-HNNXBMFYSA-N 415.519 1.587 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1C(F)(F)C12CCC2 1690106428 VTLCDLGJQPQCGS-OAHLLOKOSA-N 407.465 1.922 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)O)CC1 1690148334 CTHKCHYCNQDLJR-UHFFFAOYSA-N 409.534 1.914 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690174750 JGYPGCJKSYEDTA-UHFFFAOYSA-N 418.567 1.754 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690503662 KAUOOGVHBXEXDY-GOSISDBHSA-N 407.478 1.623 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1690555903 HFUOYUFPIDDXAC-AEFFLSMTSA-N 424.505 1.709 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1695867401 ANVPDQQBKVZCTM-SJORKVTESA-N 404.563 1.181 30 10 HDEE CCOCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696268389 CGSWZWDFKCHLQU-YWMAMYRUSA-N 418.498 1.345 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1697788218 XWNUGWCPLQPYCO-HOCLYGCPSA-N 416.457 1.380 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COc2ccccc21 1698172408 WRWGCBLWEWSNMP-BRWVUGGUSA-N 413.478 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1705474121 CPVABMIARAPFAM-QKKBWIMNSA-N 407.478 1.394 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnnn1CC1CC1 1705485516 KLBBRGWKDXFDLT-AWEZNQCLSA-N 422.493 1.865 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1705612144 AKVRTMYGVHXGEX-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705628689 MWJNRLHUJAOZPU-OPYAIIAOSA-N 404.511 1.596 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC[C@@H]2C)C1 1705926803 KYUKHPWDRPXGKW-AZUAARDMSA-N 412.538 1.766 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1708258308 AMEXZNMWCOSRIR-MAUKXSAKSA-N 424.505 1.869 30 10 HDEE CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cn1 1709860629 HKBKZHMOHWOERE-INIZCTEOSA-N 413.482 1.377 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1710980860 UMQOXSCVHUGJQJ-HZPDHXFCSA-N 410.434 1.409 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)C1 1711274021 MGKZJMLJOYCABN-ZWKOTPCHSA-N 405.865 1.502 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCCC1(C)C 1712451664 AAFSJZIUBXXLPR-FQEVSTJZSA-N 406.531 1.724 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCc2ccco2)C1 1712875735 GYICJVYJKPGKEF-FQEVSTJZSA-N 409.425 1.615 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@H]1C 1722350372 XKGFRMYFXWDEKE-MRXNPFEDSA-N 415.567 1.792 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722370068 KUZACJZHOSBCOB-ZJPYXAASSA-N 422.551 1.307 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cccn1 1722407847 UPFNKBPMKXXXJW-UHFFFAOYSA-N 402.466 1.667 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(O)CCC2)n1 1722429513 MWDVYEUZDSUASE-GOSISDBHSA-N 414.510 1.527 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1722531381 MKEDBZIWIRAFIH-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1722537554 CGXCIEYIJDICKJ-PXNSSMCTSA-N 405.499 1.640 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722559091 KIPFNWRAFJVZLG-MRXNPFEDSA-N 407.540 1.495 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722697428 JQLMMMANTILSBJ-DGCLKSJQSA-N 413.404 1.137 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)COCCO2)C1 1722711781 WLHFREZZTOMAKS-DUXKGJEZSA-N 422.526 1.517 30 10 HDEE Cc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1724720179 CTUZQBFIBWORBN-MSOLQXFVSA-N 415.519 1.460 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1726447588 CMKHUEJOSKXYMZ-MRXNPFEDSA-N 422.489 1.742 30 10 HDEE CCN(CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1728419182 KOEOUWCATAQBTM-HXUWFJFHSA-N 421.521 1.314 30 10 HDEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1730510443 ABEZUOGQFVBSNF-IBGZPJMESA-N 408.478 1.301 30 10 HDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1730696532 FAESTYJFWUFGIC-GOSISDBHSA-N 412.494 1.902 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCOC2CCOCC2)CCO1 1731190997 XBHBACDHMHUNOR-ZWKOTPCHSA-N 405.499 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1740550180 PLZWKYSIZWLXLK-ROUUACIJSA-N 401.559 1.105 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740557121 LJVIYDLTQLQZBP-JKSUJKDBSA-N 418.519 1.758 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1740574879 OSXZDVHFMBHSOF-QGZVFWFLSA-N 421.567 1.431 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(CC(C)C)C1 1740684446 RMRNSWKFZFDQSV-MOPGFXCFSA-N 416.570 1.683 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2)CC1 1740688796 JUFVVENJAFJVJK-UHFFFAOYSA-N 422.533 1.738 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740783687 QRVAQZVXABCHDK-KRWDZBQOSA-N 400.527 1.719 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1740787619 JZPSUFWVHUYAHX-HRCADAONSA-N 415.560 1.342 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740800021 DJOXXQPMJFIRSM-ZDUSSCGKSA-N 407.862 1.536 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1741045406 IBFXBEARDYKBPI-UHFFFAOYSA-N 404.478 1.690 30 10 HDEE CCN(CC)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cn1 1746089680 FXUHXHUITUYIRO-KRWDZBQOSA-N 419.493 1.753 30 10 HDEE CCOCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1747307669 QIHJIEYBAMBZHY-INIZCTEOSA-N 402.499 1.336 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1748665995 YPPGKUNTLKGLAS-CQSZACIVSA-N 407.478 1.175 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1748745993 XBXAOWOOJGPTLP-UHFFFAOYSA-N 411.554 1.687 30 10 HDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1748761759 AUUMLESWGNCYDJ-IPJJNNNSSA-N 417.554 1.501 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1749131683 UKMAEVJEEBIUBX-XDNAFOTISA-N 403.527 1.855 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1749456943 NOKQCDCZILAGIM-HXUWFJFHSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1749485351 RMCNZXAISWQPPI-MUUNZHRXSA-N 400.508 1.583 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1749536323 HTRNUFLGUKOVMN-HNNXBMFYSA-N 405.524 1.606 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1749626081 NCOMTPHUKWDSHZ-HOTGVXAUSA-N 413.457 1.955 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1750570764 URAIFHJHTKNTBI-IBGZPJMESA-N 417.445 1.220 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1760118219 ZTAWUGHKINWZSO-BBWFWOEESA-N 410.540 1.081 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(N(C)C)CCSC1 1760167767 BWQZDMLPJNNDFO-FQEVSTJZSA-N 423.550 1.428 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N(C)CC 1760219642 JSAZIXDURSQDOC-LJQANCHMSA-N 407.474 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCNS(=O)(=O)CC 1760220552 NTUZBLYYALFPPL-UHFFFAOYSA-N 413.547 1.580 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC(F)F)c1 1760248401 KNTQNWPRPXDLAH-CQSZACIVSA-N 420.420 1.360 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)N2CCOCC2)CC1 1760258681 QASSKCIJOMUDED-HXUWFJFHSA-N 408.550 1.729 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760278881 KGLKXVAMVFGSJG-QGZVFWFLSA-N 400.552 1.798 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCOC)CC1 1760401264 DOXQHWKLQGPSPR-VQIMIIECSA-N 412.556 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1c(C)noc1C 1760555934 QTYITIILHCLXPA-HNNXBMFYSA-N 409.512 1.624 30 10 HDEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1762513464 FQIMRRNODIEOTQ-LSDHHAIUSA-N 412.560 1.691 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1764379723 DDGKFGBUQQGSBZ-MRXNPFEDSA-N 405.466 1.759 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cc(CO)nn1 1764967024 VLAQAUVIKSHUTK-MJGOQNOKSA-N 406.494 1.758 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCOC)CCOC1 1765914633 ZBVSFMXVKWXRJE-GHTZIAJQSA-N 418.542 1.533 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)n2)c1 1770346162 AJOSUPHQWBWOFN-SFHVURJKSA-N 408.466 1.444 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCc2cccc(C(N)=O)c2)CCO1 1771537041 GPWPKIBWJCOCHK-QGZVFWFLSA-N 403.446 1.410 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1772564819 XGVRWCSBCIOBGE-INIZCTEOSA-N 418.519 1.816 30 10 HDEE Cc1cccc(C)c1N1C[C@@H](C(=O)N(C)C2CN(c3nccnc3C#N)C2)CC1=O 1849819054 JFNKLYYYHDUVTO-INIZCTEOSA-N 404.474 1.665 30 10 HDEE CN(C(=O)c1nc2[nH]cnc2cc1Br)C1CN(c2nccnc2C#N)C1 1849839610 FBDPJDFUATUKNT-UHFFFAOYSA-N 413.239 1.343 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1850056405 YQDCBBQJIHNEHL-KRWDZBQOSA-N 409.527 1.688 30 10 HDEE Cn1cc(CCC(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)cn1 1852623775 IYAJZTIXGYHEEI-UHFFFAOYSA-N 408.915 1.700 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)NCc3ccc(C(F)(F)F)cc3)CC2)n1 1853206599 ZXWZCMBNJYMGLK-UHFFFAOYSA-N 404.396 1.805 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1853319737 FYWGNZWZSMOOSO-ICSRJNTNSA-N 415.490 1.440 30 10 HDEE C=CCC1(S(=O)(=O)NC(CN2CCSCC2)=NOCC(F)(F)F)CC1 1853468839 GSPSJAJDCDNHDQ-UHFFFAOYSA-N 401.476 1.956 30 10 HDEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)c2ccc(C#N)cc2)CC1 1853579460 ISVNWZYJAMMXNV-UHFFFAOYSA-N 407.560 1.521 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccccc4F)nn3C)C(=O)C2)C1 1853695570 NFUMUGBZTYUIAL-INIZCTEOSA-N 411.481 1.771 30 10 HDEE CCS(=O)(=O)C1CN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1853997031 DYHJOGAKMPSUMJ-AWEZNQCLSA-N 423.922 1.514 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cccc(=O)o4)C(=O)C3)C2)cc1 1854202077 IYWFHBMENUJJCB-SFHVURJKSA-N 406.442 1.070 30 10 HDEE CCS(=O)(=O)C1CN([C@H]2CCCCN(C(=O)c3ccc(C)c(C#N)c3)C2=O)C1 1854892956 IXCHWJAPDNKJRJ-SFHVURJKSA-N 403.504 1.507 30 10 HDEE COc1cccc(O[C@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c1 1855028755 FEJRHAJLSAXJCK-IAGOWNOFSA-N 400.479 1.121 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3cnccc3c2)C1)[C@@H]1CCN(C)C1=O 1857263420 GKBHFEBMZZBCGC-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)CC1 1857295684 UIIJFDNSHUDDRR-SJLPKXTDSA-N 415.515 1.106 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCN(C(=O)COc3cccnn3)C2=O)CC1 1857308366 IGXQTMRWWLWMAQ-SFHVURJKSA-N 405.458 1.540 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1862182637 MDBSTAHXKZXXKS-QUCCMNQESA-N 413.518 1.877 30 10 HDEE O=C(NCCO)[C@@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931714 FQJKWVIWXPICIL-MRXNPFEDSA-N 419.528 1.136 30 10 HDEE C=CCn1nc(C(=O)N2CCN(C(C)=O)CC2)c(I)c1C 1871337817 AHROSBRAAQGOEP-UHFFFAOYSA-N 402.236 1.286 30 10 HDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)nc1C 1872797754 TUMPHVSKAOCZJZ-AWEZNQCLSA-N 414.491 1.417 30 10 HDEE COC(=O)CSc1nncn1/N=C/c1cc(Br)cc(OC)c1O 1874539299 XJDHVDMWBCOIRN-FZSIALSZSA-N 401.242 1.902 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2Cc1ccccc1 1875217358 PFYOQGHJMPNRIC-UHFFFAOYSA-N 420.517 1.828 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)C(C)(C)[C@@H]3CCCO3)CC2)CC1 1889305638 ABMYDESTFROTDV-NRFANRHFSA-N 405.583 1.840 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 1890927073 HUORERZDLOYMQJ-SFHVURJKSA-N 408.458 1.974 30 10 HDEE O=C(N[C@H](CCS(=O)(=O)CC#CBr)C(=O)O)OCc1ccccc1 1892342299 UHANZUVPEIPLBQ-CYBMUJFWSA-N 418.265 1.527 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985770927 AANDDIOWELGZCO-KRWDZBQOSA-N 406.332 1.961 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC(C#N)CC1 2054406764 YLDIIPIIONKJDP-UHFFFAOYSA-N 406.508 1.667 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)c1cccnc1C#N)NC(=O)OC(C)(C)C 2118165689 DPMIJVJOAISQJR-SSINHNECSA-N 402.498 1.653 30 10 HDEE N#CCc1ccc(S(=O)(=O)N=c2cnc(I)c[nH]2)cc1 2145527867 CVQJFNGOKPDJNZ-UHFFFAOYSA-N 400.201 1.370 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174789004 LKTRFAOKMUILCB-RMKBEBRYSA-N 420.557 1.479 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180889002 RANQGFZBVQGRFZ-JTQLQIEISA-N 416.887 1.201 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCOc2ncnc(Cl)c2C#N)C1 2184524434 RUGVNHRCONRFFC-LLVKDONJSA-N 416.887 1.805 30 10 HDEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](C)S(C)(=O)=O 2186591501 PFBJRULIJRMRIJ-VXGBXAGGSA-N 401.359 2.000 30 10 HDEE CN1C[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)[C@H](NC(=O)OC(C)(C)C)C1 2217477453 XJKVMAGXRMCFQF-CVEARBPZSA-N 419.331 1.967 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O1 2246720773 POVOBJUZNMGMEZ-AVGNSLFASA-N 405.289 1.757 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247923414 YEDYIUMHSMHXSA-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C=CC[C@]1(CN)CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259549560 OKNNAILFCJNZNW-HXUWFJFHSA-N 405.520 1.762 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373081 YKKRDUMGHMHDRY-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464759 RBVRMSLRACTDGV-XMMPIXPASA-N 408.376 1.053 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=S3(=O)CCOCC3)c2)OC1(C)C 2267713492 BWOSUOPXIIBQFG-UHFFFAOYSA-N 407.344 1.234 30 10 HDEE CC1(C)OB([C@H]2C[C@@H](C(=O)NCCNS(=O)(=O)C(F)(F)F)C2)OC1(C)C 2281952932 DBRVARAKQHICKE-AOOOYVTPSA-N 400.228 1.414 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314712 DHIVSCSAMYKHJK-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE C[C@H](CC(=O)N(C)C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282336475 DTKSFBJWVROQLZ-LLVKDONJSA-N 402.347 1.192 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282833043 UGPRWEIWRGMWMF-VWLOTQADSA-N 405.322 1.172 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282836618 MHOXATYTYPIZRT-SMDDNHRTSA-N 400.737 1.607 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCCNC1 2282852638 RSMKZCAWJGRPMU-STQMWFEESA-N 400.375 1.714 30 10 HDEE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854943 XPJQZDOMLOFZEW-LBPRGKRZSA-N 401.315 1.373 30 10 HDEE CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866039 CESOKKCIRABQJC-ZIAGYGMSSA-N 400.375 1.808 30 10 HDEE CCN1CCC[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877832 XQUUBVDNHAQMFO-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283073222 ZLMBZUJTRULJHR-KBPBESRZSA-N 403.288 1.389 30 10 HDEE CSCCN(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284395752 PBGWTABWBIJROB-UHFFFAOYSA-N 421.371 1.486 30 10 HDEE CC[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284396577 WXJFYSYPQPKRDW-LLVKDONJSA-N 403.331 1.839 30 10 HDEE CC[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284396578 WXJFYSYPQPKRDW-NSHDSACASA-N 403.331 1.839 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288911646 LXBZGSRVIDLPQB-QWHCGFSZSA-N 402.347 1.117 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2365208041 BRZURCVGRIHRDU-HNAYVOBHSA-N 402.557 1.865 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365242186 WWIGSGJZCPLPEM-ACJLOTCBSA-N 405.513 1.976 30 10 HDEE CN(CC[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)C(=O)OC(C)(C)C 2365243391 KZROPTAPTRRZJS-CQSZACIVSA-N 405.513 1.930 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C 2367784070 AHRKTKUOQYFYCD-UONOGXRCSA-N 413.565 1.748 30 10 HDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367825154 OPJRUASOFNZWNI-VCBZYWHSSA-N 400.541 1.292 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2367826527 ZHNJMCYCPSSIFM-GJZGRUSLSA-N 400.541 1.306 30 10 HDEE COc1cc(Br)cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)c1O 96454113 HHGIMSYDXRHAGX-JRJICXHWSA-N 402.226 1.560 30 10 HDEE CC[C@H]1Oc2ccc(N)nc2N(C/C(O)=N/S(=O)(=O)c2ccc(C)cc2)C1=O 96496660 YZDOVFNNHVMDCZ-CYBMUJFWSA-N 404.448 1.822 30 10 HDEE CCn1cc(C#N)c(=O)n(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1=O 195680095 WSFAEWRIVWZRID-UHFFFAOYSA-N 406.446 1.021 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 409551180 BQVYRRNMNFSXIN-OAHLLOKOSA-N 400.932 1.673 30 10 HDEE C=CCN(C(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1nc(C(=O)OCC)cs1 409832551 PGYYTKPLICISGL-APYUEPQZSA-N 415.471 1.646 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C(CC)(CC)C2)c1 428700767 MOACZTGGKVWVAK-UHFFFAOYSA-N 414.549 1.580 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)CC1 435933844 GVUGBACFWJCHPA-UHFFFAOYSA-N 407.470 1.683 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCCOc2ccc(C#N)cc2)CC1 440028222 PBIPMXXQOXCRGX-UHFFFAOYSA-N 416.478 1.380 30 10 HDEE CCO[C@H]1C[C@](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(C(=O)OC)C1(C)C 444555412 SCLUWAQYEFMTGK-JXFKEZNVSA-N 422.503 1.336 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cnn(-c2ccccc2)c1 464820912 XUXRLTVNLZWTRR-MRXNPFEDSA-N 402.462 1.954 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCOCC2=O)CC1 468306868 FORRUMUVCFDTRU-INIZCTEOSA-N 421.295 1.017 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)nc1)c1nc(C(=O)OCC)cs1 471739674 VSHGALJDODYKIT-UHFFFAOYSA-N 424.504 1.798 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1 471928033 QCTDABQDDBMVIF-MRXNPFEDSA-N 401.510 1.020 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1C#N 489518271 GDUDNLBHWHWNOY-MRXNPFEDSA-N 412.393 1.960 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 504074850 JIGOCACXQQOTJV-UHFFFAOYSA-N 412.534 1.900 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508741214 VXLUGJGKMDQJER-UHFFFAOYSA-N 412.542 1.373 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 517869430 GGSUPIANFBMUGN-INIZCTEOSA-N 419.478 1.364 30 10 HDEE C=CCN(C(=O)c1coc(S(=O)(=O)N(C)C)c1)c1nc(C(=O)OCC)cs1 535210586 MZFVZDFHUJCUCE-UHFFFAOYSA-N 413.477 1.996 30 10 HDEE C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 538199019 PYHKUNIHQFBVOY-UHFFFAOYSA-N 412.471 1.665 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 542264280 AHZFLHBYPGWLMX-KKSFZXQISA-N 400.479 1.950 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545490656 PDBHRFKOAWSPAS-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCC3(c4ccccc4)CCOCC3)CC2)n1 546917218 SSDRDCKXFADLFX-UHFFFAOYSA-N 419.529 1.940 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 553156835 ZZBHKCANXJNNFB-IINYFYTJSA-N 415.434 1.187 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CSc2nncn2-c2cccc(Cl)c2)CC1 570961612 NSVOTFLBITZALZ-UHFFFAOYSA-N 404.883 1.597 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 581338687 NDCOJUQMEYDVAB-XJKSGUPXSA-N 407.496 1.397 30 10 HDEE N#Cc1cccc(C(=O)[C@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824012 DUSTYFQLYDQDFF-VQIMIIECSA-N 416.437 1.274 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c2ccccc2n1 610275398 FMQKKPZYIHGYDK-UHFFFAOYSA-N 411.443 1.309 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)NCc1cn(C)nn1 611952132 KWFHFKRKHZGVSM-UHFFFAOYSA-N 404.430 1.829 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](O)CC(F)(F)C3)CC2)cc1 615907267 BVLAGKXGRANHSD-OAHLLOKOSA-N 413.446 1.187 30 10 HDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730136702 AMQXGCNDLPBDOH-KRWDZBQOSA-N 419.551 1.131 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2ccccc2)C1=O 731651794 FZBAOSRCQYQJJM-MRXNPFEDSA-N 412.471 1.037 30 10 HDEE CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)CCN/C(O)=C1\N=CC=CC1=O 741340560 FYKXSPVAPLLGEO-UXRKVSLXSA-N 401.419 1.872 30 10 HDEE COc1ccc(N2CCN(CCNc3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742397201 CUOOJKICJIFYGQ-UHFFFAOYSA-N 415.519 1.448 30 10 HDEE Cn1nc(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c2ccccc2c1=O 743734126 APVVQWICXRHLGK-UHFFFAOYSA-N 417.469 1.947 30 10 HDEE N#C[C@@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(=O)N1CCS(=O)(=O)CC1 744131323 WPVFLVOUQLSGSF-HNNXBMFYSA-N 414.443 1.193 30 10 HDEE N#C[C@H]1CN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 747388186 FDFVGKSVBOYHAE-FQEVSTJZSA-N 411.506 1.140 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1C1CC1 753991566 ZWACWTOUQRGVQB-MRXNPFEDSA-N 406.446 1.025 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(c2cccc(C#N)n2)CC1 760910687 IHWCWXWANYHKNE-GOSISDBHSA-N 420.517 1.939 30 10 HDEE COc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)c(NS(=O)(=O)C(F)F)c1 769667089 MUTPDIMIQDVZGS-JTQLQIEISA-N 423.463 1.972 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2cc(C)cc(Br)c2)c1=O 772276209 AAYPSLDSBSIEQQ-UHFFFAOYSA-N 404.289 1.654 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 774047341 RVZVWDANPXOPEG-AWEZNQCLSA-N 402.469 1.025 30 10 HDEE C#CCN(C(=O)NCC1CCN(C(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774222116 IJXSAJSHYRZCCA-IBGZPJMESA-N 417.531 1.371 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)[C@@H]1CCCN1C(=O)C(F)(F)F 774998124 QCBBTCXNJFAXTM-GTNSWQLSSA-N 420.384 1.914 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2F)cc1 776652766 CPTXMTHZKJHAHR-KRWDZBQOSA-N 422.409 1.822 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 777343308 RZXCTQNWZCCTKI-SFHVURJKSA-N 412.471 1.392 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780702453 XQFSOGMHDYFKAQ-JOCHJYFZSA-N 413.474 1.060 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 781047542 CJDLHGVABWHZEC-DVSFIDLUSA-N 407.430 1.086 30 10 HDEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1ccc(C#N)cc1F 781126548 HFDSMCQLVZSMJH-UHFFFAOYSA-N 416.482 1.865 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 784126009 ADJAFLIPNGZVCJ-SFHVURJKSA-N 416.547 1.644 30 10 HDEE COC(=O)CC1(NC(=O)Nc2ccccc2O[C@@H](C)C#N)CCS(=O)(=O)CC1 784459780 QMOBDBXLDMYBFY-ZDUSSCGKSA-N 409.464 1.609 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)NCCc2nc(C(=O)OCC)cs2)c1 786710370 FMPGMLDUORTDJT-UHFFFAOYSA-N 400.460 1.782 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@H](O)Cc1cnn(C)c1 786860438 IMJLPACQYMUEMR-CZUORRHYSA-N 402.476 1.900 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)n1 788854716 OLCYGILGZCLIOM-HDICACEKSA-N 405.543 1.562 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c(C)nc2O)n1 790108652 ACIBSDCDHDHFDP-UHFFFAOYSA-N 407.268 1.977 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 790681778 FNKIGGSHHNPZNN-QVURBQDSSA-N 403.479 1.462 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN(CC(F)F)C2)c1 791329042 BLTPJPSBOIYOKJ-LTGZKZEYSA-N 400.451 1.635 30 10 HDEE C[C@H](C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1)n1cnc(C#N)n1 798489228 ZEOWGIGNUCDTEH-SNVBAGLBSA-N 417.369 1.199 30 10 HDEE Cc1ccncc1N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 799156798 ZBTZZFPYQXAXBZ-JOCHJYFZSA-N 404.474 1.808 30 10 HDEE C[C@H](OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1nccn1C 805177911 RQMGJWNFCFVROP-KTNMXJNISA-N 419.507 1.949 30 10 HDEE C#C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 810100100 WOWNYLZCRBQUHL-MRXNPFEDSA-N 404.941 1.605 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cnc2c(cnn2C)c1 1116687728 JFHNCTVTVPTSJJ-UHFFFAOYSA-N 410.415 1.651 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1 1129786440 FTAYTDTVRBOXCT-KRWDZBQOSA-N 409.504 1.761 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1 1131369961 FKRVVGRAUKUIDA-UHFFFAOYSA-N 405.520 1.742 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)C1=O 1132161983 QGECVGWGBMIDON-GFCCVEGCSA-N 408.817 1.151 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCC1CCC1 1136634070 OFUBZYGVMJDJOL-CQSZACIVSA-N 423.963 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 1140621505 CXGWXMLJOBZZPO-INIZCTEOSA-N 402.447 1.909 30 10 HDEE Cc1sc(=O)n(CC(=O)N2CCN(C(=O)CC#N)CC2)c1-c1ccc(F)cc1 1149999733 DUACPOARGCRYKT-UHFFFAOYSA-N 402.451 1.609 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1151604908 WTRYYSGWYMIUDT-ZDUSSCGKSA-N 408.398 1.608 30 10 HDEE C#C[C@@](C)(CC)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1158491629 FXWNKEGLATYWLB-QFIPXVFZSA-N 420.425 1.962 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1158987139 ULFSIFHKTOTGMX-MRXNPFEDSA-N 410.467 1.149 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(C(=O)c4cccc(O)c4)cc3)C2)c(=O)nc1O 1159489549 GRDIIEXHLMQROT-UHFFFAOYSA-N 416.393 1.454 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H](CNS(C)(=O)=O)C1 1197574736 WAGADFHKPPHWID-JKSUJKDBSA-N 408.524 1.201 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn([C@H](C)CC)c2C2CC2)CC1 1202865348 VPHICXYXAUWWOF-CQSZACIVSA-N 408.528 1.349 30 10 HDEE C=CCCSCCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1203949943 SLTVEKNOASEANC-UHFFFAOYSA-N 400.526 1.533 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1213278603 FNWAASCRVYSHGA-LAJNKCICSA-N 409.327 1.779 30 10 HDEE Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N(C)C 1227975684 PNWBIAFUGXUGAB-HNAWSFBYSA-N 404.536 1.566 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]n1 1234023394 HHIKDSYYDWRPRO-MRXNPFEDSA-N 422.445 1.372 30 10 HDEE Cc1ccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Br 1248430990 WRVKEPWPUXJFBV-XJKSGUPXSA-N 412.309 1.837 30 10 HDEE C#CCSCC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1265124183 USVJCYIZJNMNMV-UHFFFAOYSA-N 411.321 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)nn1C 1286283945 VQSKDKXXUVFKQB-HNNXBMFYSA-N 402.466 1.469 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1286361414 OQBGNJAQQLSOIZ-HNNXBMFYSA-N 418.523 1.213 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CCC)C(=O)OC(C)(C)C 1286371914 ICMYUODLYDOKKN-HNNXBMFYSA-N 404.515 1.946 30 10 HDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1286394548 JLQUAHAIKKLEAE-INIZCTEOSA-N 404.467 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCC(=O)N(C)C 1286424087 YGLTYCHTUIOZRD-OAQYLSRUSA-N 401.511 1.262 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286444172 RCVZVHFQYNXBTA-SJLPKXTDSA-N 423.521 1.357 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc(C)s1 1286457531 QXKDUSYNAUMZOL-LJQANCHMSA-N 420.539 1.613 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1)C1CC1 1286738554 WVHDWOZTHOAJEF-IYJVBRSBSA-N 412.581 1.636 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1286755668 AAELRNDJJJDWHS-QFIPXVFZSA-N 422.489 1.522 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1286968402 LFQUVJUPMUXNKE-GFBZJKCLSA-N 413.482 1.642 30 10 HDEE CC1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1291180631 ICFVOKICXUZYTH-ROUUACIJSA-N 415.542 1.470 30 10 HDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1293149933 JPIHELFKMOSAOE-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1298461182 OVUNXEGNYSMUBM-CQSZACIVSA-N 424.523 1.646 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1299035126 QMSQBLQKZXOKRN-KGLIPLIRSA-N 414.528 1.819 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1300315528 YXBQLWQZTXXBRO-SNVBAGLBSA-N 400.430 1.770 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1300429811 CRWKDEFDTZSALX-NWDGAFQWSA-N 412.541 1.170 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccncc1Cl 1300650305 SNGSGHYQACFCJR-UHFFFAOYSA-N 402.886 1.697 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCn1cc(C)cn1 1300673779 YWOWMPHNXZIEHL-UHFFFAOYSA-N 418.505 1.808 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1300885674 RSPNUGALZXJSOC-SQNIBIBYSA-N 403.527 1.868 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1300970649 ZKKKYXGSHYFEHU-NHCUHLMSSA-N 416.526 1.992 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(C(C)(C)C)CC1 1301474692 FYAJOWTXUQWDOK-UHFFFAOYSA-N 400.527 1.999 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)OC)[C@@H](C)C2)s1 1301510036 IZLDPHBFGMNZTH-GXTWGEPZSA-N 400.522 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(CC)C1CCCC1 1301585827 FMGQQIXQFKVBIH-UHFFFAOYSA-N 409.556 1.770 30 10 HDEE C=CCSCCn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1301624094 RKZUVPQPMOJUIW-KRWDZBQOSA-N 400.570 1.418 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1)C(=O)OC(C)(C)C 1302034451 MDZVXAUMGLSHLM-GOSISDBHSA-N 402.495 1.269 30 10 HDEE CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1303312630 HKDDPMAHYCNGAE-GOSISDBHSA-N 413.453 1.645 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1303411003 DLUFBXLQLZDPKW-SFHVURJKSA-N 423.521 1.576 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1304105393 BGIRYYQLBOOFOX-OAQYLSRUSA-N 418.494 1.696 30 10 HDEE CC[C@@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1305890026 CJHWVSIGGKGWCH-LIRRHRJNSA-N 419.507 1.698 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1309337950 HTTVODYWQJIYMQ-UHFFFAOYSA-N 406.508 1.275 30 10 HDEE C[C@H]1CCCN(Cc2csc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)n2)C1 1310033174 CROYUFXFODONAD-LBPRGKRZSA-N 417.495 1.331 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1312896590 BYPHMVRBWADLCN-IRXDYDNUSA-N 402.561 1.272 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315731049 GLJBAZOOWSCJCC-RDTXWAMCSA-N 412.494 1.988 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1316538724 AJZZLWHSSOJTCW-DOTOQJQBSA-N 419.482 1.171 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1322594667 BIMHIPQSURIBGN-UHFFFAOYSA-N 414.487 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358876490 KXIBHYPXPNZWMS-CABCVRRESA-N 418.519 1.855 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1358903884 MMLNNVMFYCSWER-UHFFFAOYSA-N 408.510 1.434 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1CCN(C(=O)OC)CC1 1358980221 NTLABGZUMPQXKN-UHFFFAOYSA-N 406.490 1.815 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359177378 KNCRYYWMAJSOIA-MRXNPFEDSA-N 417.539 1.419 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1359281357 WVRHVCYFNPZTHH-CQSZACIVSA-N 402.503 1.263 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCOCC2)C1 1359318976 QAJOIJMCTSKLNO-HKUYNNGSSA-N 415.542 1.428 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1360728515 NHLZJJOKVLVKEL-OGWOLHLISA-N 403.508 1.870 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H](C(=O)OC(C)(C)C)c2ccnn2C)cc1C#N 1437355535 WEOJJBVRJHTJSA-ZDUSSCGKSA-N 403.464 1.927 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1439220004 LJGRRGHZVSAKRD-YYOAPQJESA-N 411.458 1.528 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1444727357 KGFOYOOPGFZFCR-UHFFFAOYSA-N 415.343 1.316 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1454679983 RJZXCDACTPIMBL-MAUKXSAKSA-N 410.565 1.526 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)c2)cc1 1456176449 SOQPOYMGOYMWCG-GOSISDBHSA-N 412.471 1.112 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(NCc4cncs4)c3)C[C@H]1CS(=O)(=O)C2 1456614450 SHHGFTISUBEDLC-KBXCAEBGSA-N 402.501 1.766 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N2CCCc3ccccc32)c1=O 1459208269 BZNUEJNIYDHEED-UHFFFAOYSA-N 424.457 1.203 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Br)cc1 1460786178 OOWBULHXCKVGJY-KDOFPFPSSA-N 404.264 1.960 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)CC2)c1 1461243901 HTRXVJBSPHJTBR-UHFFFAOYSA-N 409.490 1.503 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1(c3ccc(C#N)cc3)CC1)CCS2(=O)=O 1463266070 FLGFEZLXNXTLEW-CMVHYPBASA-N 416.499 1.605 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1469107134 DJKBPBFZMUBLBR-RYRKJORJSA-N 401.488 1.087 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccnc(-n3cncn3)c2)C1 1469728935 IZMCCEUPMPMSKS-GJZGRUSLSA-N 412.454 1.221 30 10 HDEE CCOc1ccc(C[C@@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1470433925 QKOGIPJHSTXKKT-OXFYSEKESA-N 405.520 1.844 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)c1 1475529550 IIPCYPLLLSHLLP-UHFFFAOYSA-N 424.519 1.772 30 10 HDEE C=C(C)CCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1478674522 OKSKEKXNOWWXFS-UHFFFAOYSA-N 401.252 1.879 30 10 HDEE Cc1nc(-c2ccc(Cn3c([C@H]4CCC(=O)N4)nnc3N(C)C[C@H](C)C#N)cc2)n[nH]1 1492660605 QYTFKTYMNBTZFU-CXAGYDPISA-N 419.493 1.967 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1503754058 KGPTWAXWIHVMJT-HNNXBMFYSA-N 405.462 1.739 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1504525799 CHQKXAFRMXKEHE-YESZJQIVSA-N 402.499 1.411 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C[C@H]1OC 1505123286 BFFGEJFQLATXQT-HEFCWWFNSA-N 413.478 1.207 30 10 HDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1507556856 FBGRMXALNAWATJ-UHFFFAOYSA-N 403.464 1.892 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1507631088 LSYBRFCYALPTPK-KRWDZBQOSA-N 404.540 1.742 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)F 1507648350 NLRPSGKMSCNYGC-UHFFFAOYSA-N 423.427 1.585 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1507649115 YGSZOXUNIFUAAW-UHFFFAOYSA-N 402.458 1.358 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCC1 1507706583 OCELLOTVMPLTQR-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1507757139 PIFXMOSLDAFJPZ-UHFFFAOYSA-N 405.503 1.437 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507967906 OIOTWRABODMJFE-SFHVURJKSA-N 413.526 1.800 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1507968679 XROFFSRYECTFLH-NVXWUHKLSA-N 406.556 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CCc1cnccn1 1508141395 MZFNWUZHPGOHPX-MRXNPFEDSA-N 420.539 1.242 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1508318648 WVMKHQOLJRERIG-QZTJIDSGSA-N 407.478 1.200 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1512576469 ACEWTVYQMTZSFT-ZSEKCTLFSA-N 412.494 1.650 30 10 HDEE CO[C@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1517786138 DAWJGEORTXTVSS-MOPGFXCFSA-N 424.505 1.501 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)OC 1519446885 HSCPVXVKEIGFFA-SZMVWBNQSA-N 418.542 1.604 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C 1531579037 ANRRGPCSURZXJZ-UHFFFAOYSA-N 412.446 1.764 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)NC(C)=O 1532461107 LWXWZHADKXJGJY-HXUWFJFHSA-N 405.451 1.056 30 10 HDEE C#CCC1(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CCOCC1 1535310271 PCVXKQJGHGNCFZ-UHFFFAOYSA-N 400.884 1.824 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1538973787 QBOHWIIJVIWRHM-BBEJJTJUSA-N 423.539 1.464 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2C2CC2)c1 1539042242 DKDRVKLJDHFODY-HNNXBMFYSA-N 413.503 1.571 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](COC)OC 1539145158 GOBFZXSKOOJHQN-MRXNPFEDSA-N 405.886 1.592 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1539215914 LLJGGSVEQJLNIT-KRWDZBQOSA-N 408.487 1.410 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1539216016 MRDJWUYZLZQQGI-OAHLLOKOSA-N 419.482 1.395 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)CN1CCOCC1 1539251743 OPMRDOYCRDHGGZ-GOSISDBHSA-N 421.501 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cn[nH]c1 1539265663 IREIHYCDURCXCI-UHFFFAOYSA-N 415.505 1.491 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C)n(C)c1=O 1539399527 OCLZRPBQGGNOLQ-UHFFFAOYSA-N 416.485 1.958 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccccc1 1539421730 WTOZVSOPKFXNRB-JOCHJYFZSA-N 411.506 1.394 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(COC(C)(C)C)on2)CC1 1539469304 RGIPJBDLCLVHEW-UHFFFAOYSA-N 414.510 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)=O)CC1 1539612312 KNMBCYALHOVXNU-WMZOPIPTSA-N 418.542 1.502 30 10 HDEE CN(C)C(=O)CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1540427076 VUUVUODYCJNCJR-SFHVURJKSA-N 400.479 1.939 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1540857449 XYCBHBUVMFFQPH-QGZVFWFLSA-N 410.478 1.874 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1540891265 RMLFBBRQTVHZJG-OALUTQOASA-N 419.570 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1540903456 DYZYWNIEPLULIV-IAGOWNOFSA-N 412.556 1.462 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C2CCCC2)CC1 1540909158 ZUTYKEFALCCTSN-UHFFFAOYSA-N 411.572 1.480 30 10 HDEE C[C@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541863687 HOZRHPMBGKEJRQ-CTNGQTDRSA-N 424.549 1.903 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCO1 1555993380 NNMMBBXJYIBIBM-QWRGUYRKSA-N 404.418 1.253 30 10 HDEE C=CCN(C(=O)CCC(=O)N1CCOCC1)[C@H](Cc1ccccc1)C(=O)OCC 1556204847 FJTAXLNWSMNEOG-LJQANCHMSA-N 402.491 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3nnccc3C#N)C2)CC1 1559077444 RVHKXNHSDXSPAA-MRXNPFEDSA-N 400.483 1.644 30 10 HDEE C#CCN1CCN(S(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 1561483654 LGPFXXOFFMDASD-JOCHJYFZSA-N 420.354 1.401 30 10 HDEE COC(OC)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1568074184 GIAHIJHUAVSNAU-RDTXWAMCSA-N 417.487 1.701 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1569756084 KOQYPHWRVWHPMZ-CQSZACIVSA-N 402.517 1.114 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1587638969 IHLMHAWEVYCIMO-XJKSGUPXSA-N 423.564 1.487 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1587673820 SIEQVYODOHMREY-OAHLLOKOSA-N 423.477 1.477 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1588040195 JGSKGUZQFUDTKL-INIZCTEOSA-N 414.491 1.255 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589530539 WMCXMQZNAQPSBZ-FUHWJXTLSA-N 423.583 1.997 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21 1616734711 ITLOQPRQNYWDGW-UHFFFAOYSA-N 423.372 1.837 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1618434902 CQXCDUYENDJDLC-MRXNPFEDSA-N 402.524 1.991 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCN(C2CC2)C1 1620025057 MUJGCLUKFPCOCF-SOLBZPMBSA-N 404.515 1.215 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1620674531 AKOLPAGSCUIUCM-WBVHZDCISA-N 415.437 1.616 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1623036074 WFBWJLATWYDXBL-KRWDZBQOSA-N 410.540 1.461 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1623786916 CBYQNQZTJPUWSH-CVEARBPZSA-N 418.498 1.999 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1624794015 URMZBVHCURIWAB-UHFFFAOYSA-N 408.393 1.239 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OCC 1632067024 IPUYHTJAPWHCPK-OAHLLOKOSA-N 416.883 1.358 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 1635488540 UCJAKHPDLKXFKO-FDDCHVKYSA-N 402.454 1.984 30 10 HDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CCC#N)CC1)C2=O 1635905950 RKLSJAFUZYKQHC-UHFFFAOYSA-N 417.554 1.961 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1COCC[C@H]1O 1636139323 QWMZKILKVJPQJK-KURKYZTESA-N 401.463 1.659 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1636624161 YAUGNTIKRWAISF-MCFFVMPBSA-N 420.465 1.481 30 10 HDEE CN1CCC[C@@H](N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)C1 1637449280 GMXWFUXZUGXMFX-OAQYLSRUSA-N 410.566 1.948 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CC(NCC(F)(F)F)C1 1639860721 ITUSGKGRRNPPON-UHFFFAOYSA-N 418.441 1.304 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)COCC(=O)NCc2cccnc2)C1 1640219487 VFZZIYRYZIYXRK-HXUWFJFHSA-N 407.474 1.323 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CCOCC1 1640487303 PXHHOSDORDSJSE-KRZKXXONSA-N 410.474 1.226 30 10 HDEE CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1641098960 AXGDNYRGNNKZTB-UKRRQHHQSA-N 424.523 1.645 30 10 HDEE C#C[C@H](CO)NC(=O)Cc1cc(Br)cc(I)c1 1641573898 APRCFEYZLGZCDS-LLVKDONJSA-N 408.033 1.707 30 10 HDEE COc1ccccc1C(=O)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641855901 VMAIGQACKXISAM-UHFFFAOYSA-N 411.414 1.329 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1643359662 ZNSTVHZKFXXYCR-QGZVFWFLSA-N 404.488 1.559 30 10 HDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1644458193 JZRATORPWFYYBA-QGZVFWFLSA-N 422.503 1.480 30 10 HDEE N#Cc1cn(CCC(=O)N2C[C@H]3CCN(Cc4ccccc4)C[C@H]3C2)c(=O)nc1O 1644919819 AOVGGXGHJKPENA-MJGOQNOKSA-N 407.474 1.191 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](c2ncon2)C1 1645203069 BUUZKJFLYFDUIG-HIFRSBDPSA-N 417.491 1.539 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1645997591 FWBYXMDDUXGDLZ-GHTZIAJQSA-N 421.482 1.576 30 10 HDEE Cn1cc([C@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 1647869042 XOTHXPMHDMATRV-AWEZNQCLSA-N 416.507 1.040 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2ccc(Cl)cc2)C(C)C)CC1 1650849093 UAFRWXHZJVNXHQ-QGZVFWFLSA-N 413.927 1.355 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 1651475730 WLWIBEWSHPCYPK-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE COC(OC)C(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1654188177 ZDGGUZPHXPSLHJ-OAHLLOKOSA-N 406.458 1.224 30 10 HDEE C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1654975100 NKHXWUUMJXADRZ-ZJNRKIDTSA-N 413.902 1.696 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(F)c(Br)c1F)C(=O)OC 1655131319 ABBNRQNAMIBVEY-SECBINFHSA-N 414.224 1.750 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@](C#N)(c2ccccn2)C1 1655280281 DXLZBCKFFAUZJN-JKALPCAWSA-N 400.504 1.919 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cn1 1655958694 RLEGGXKMJIWXPQ-UHFFFAOYSA-N 422.532 1.169 30 10 HDEE CCOC(=O)C1=C(CN2CCC3(CC2)CC(=O)C=CO3)NC(=O)N[C@H]1c1ccco1 1660397562 CHUSRJIPJOOHLS-SFHVURJKSA-N 415.446 1.788 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(F)cc2Br)CC1 1662993913 MEYQHHYFSIUZQG-UHFFFAOYSA-N 417.300 1.879 30 10 HDEE N#CC1(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCOCC1 1666093934 ASCWLZQVAFKSIO-UHFFFAOYSA-N 405.398 1.577 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CC[C@H](S(N)(=O)=O)C1 1672209748 IDVBBZCSFFOVSC-NSHDSACASA-N 404.286 1.909 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)C2=O)cc1 1681516231 PYMDCHOVXMAYTE-NUJGCVRESA-N 416.503 1.130 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCN(CC(F)F)C2)nn(-c2ccccc2)c1N 1683258598 BMLOEZOUPIOKNB-CQSZACIVSA-N 417.464 1.897 30 10 HDEE C=C(Cl)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683683821 BWJDTRDINQBXHG-UHFFFAOYSA-N 416.931 1.199 30 10 HDEE N#C[C@]12CN(C(=O)NCC(F)(F)c3ccc(F)cc3F)C[C@H]1CS(=O)(=O)C2 1685006125 LXXRUUIOCUWRQB-ZUZCIYMTSA-N 405.373 1.636 30 10 HDEE C#CCN(C(=O)NC[C@H](CC(=O)OCCC)CC(C)C)[C@@H]1CCS(=O)(=O)C1 1686976388 IODNVTZMUBAFNN-DLBZAZTESA-N 400.541 1.824 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1689988286 LXTJEEBZAYBJKH-MRXNPFEDSA-N 417.560 1.947 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689991318 ZSBJKSDSRSPTRD-CVEARBPZSA-N 406.533 1.519 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCOCC1 1690042074 SKPPFQZYSIPGPO-UHFFFAOYSA-N 421.501 1.666 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1690094069 RJUPVIKSYZIZBL-KRWDZBQOSA-N 412.542 1.988 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(SC)CCOCC1 1690106349 RRIWUTOHKGQGBT-UHFFFAOYSA-N 421.567 1.399 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1690115695 PSBHHXOKAMPYGP-UHFFFAOYSA-N 417.517 1.631 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C 1690185704 DRHCXHUSGNUSRJ-QGZVFWFLSA-N 418.611 1.685 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690308782 ZPAFHDWBZIUJKX-IBGZPJMESA-N 405.524 1.881 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1690359310 YCOBFADYFQPELZ-KSSFIOAISA-N 413.906 1.960 30 10 HDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690504072 XDKOUKGIMDEEQY-QZTJIDSGSA-N 400.479 1.898 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1C(C)(C)C 1690677184 QIMBYTNGJSUEMR-DLBZAZTESA-N 404.559 1.425 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C1 1690684525 HPUPOTSLIXIIDM-QGZVFWFLSA-N 411.510 1.803 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1696689565 SEAYWOGSVWAFCQ-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE COc1ccccc1SCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CC1 1697627557 ACZOOYAWLMZKCU-AWEZNQCLSA-N 401.492 1.833 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1698203249 YKMJXFBAVVZMTG-RXVVDRJESA-N 413.478 1.210 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(NC(C)=O)nc1 1705554007 HJBUFWLVLHZANU-UHFFFAOYSA-N 414.473 1.988 30 10 HDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705562877 LXRMKLNKXMLVPC-GOSISDBHSA-N 416.547 1.905 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)N(C)C 1705598782 QPHBJJCJHIIXEO-RBUKOAKNSA-N 419.595 1.619 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCC=C 1705618846 XJPONEBMKRWDLT-UHFFFAOYSA-N 412.469 1.497 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(N)=O)cc2)CC1 1705637797 MEHBDZZKJVERIA-UHFFFAOYSA-N 404.478 1.567 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1705747077 DPGRVWXCKMBCSQ-OCCSQVGLSA-N 413.935 1.716 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1705825518 WBAYALKPJYEPRA-CYBMUJFWSA-N 410.500 1.032 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@H](C)C1 1705902875 LNSZXCSLJOKOQZ-IAGOWNOFSA-N 424.553 1.847 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC)C1 1705919448 DWYBMANAAIGCII-MRXNPFEDSA-N 400.439 1.771 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[S@](=O)CC 1710697731 INXFMQUIEWJJST-MUUNZHRXSA-N 404.496 1.118 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)C1 1712876800 UXHYXYQQALVJFH-IBGZPJMESA-N 411.466 1.915 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1OC 1722290963 HKYCYYCDCNNTMZ-ZDUSSCGKSA-N 424.461 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCCc1ccccc1 1722399360 BPMGUDOCGZSJSN-OAQYLSRUSA-N 419.529 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCCC 1722446648 GWWLOAPQRDOJIU-UHFFFAOYSA-N 423.477 1.206 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2nccnc2C)CC1 1722448600 VXOJPQZKKBWEQX-UHFFFAOYSA-N 407.522 1.853 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722603739 MIAACEBFVIUMFR-YCRPNKLZSA-N 416.526 1.953 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1722622410 MTGRFRMUCAGXRL-SMLCLMEVSA-N 409.556 1.716 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1722640905 URFXTPIGUNLLKQ-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1722668941 GVJIQWIDDNQOFD-UHFFFAOYSA-N 417.539 1.553 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C[C@H]1CCOC1)C1CC1 1722728539 RGMIQFLQPAZHCL-HZPDHXFCSA-N 410.540 1.388 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1723121354 FKWLLUUHXBKZEA-LQWHRVPQSA-N 420.533 1.971 30 10 HDEE Cc1nnsc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1724123615 GUWSAWKHEBGDIW-QGZVFWFLSA-N 413.442 1.576 30 10 HDEE Cc1c(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1724137261 VIDURFHFMHQPBZ-SJORKVTESA-N 412.498 1.167 30 10 HDEE Cc1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1\N=CC=CC1=O 1726351977 LDTAGQNXVIQQOY-AMGRQBIBSA-N 410.482 1.360 30 10 HDEE Cc1nnc(N(C)CCOc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1726363226 PNRRQHNWXFMDQA-HNENSFHCSA-N 414.441 1.767 30 10 HDEE CCn1nc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CC2)c2ccccc2c1=O 1728640464 QZOKSSPFGSUUJZ-AWEZNQCLSA-N 407.478 1.796 30 10 HDEE CO[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCOC1 1729939400 FBVMGFFQAHSCHG-WOJBJXKFSA-N 402.499 1.450 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cc1 1731184278 HETQXVUILZMUCT-KRWDZBQOSA-N 405.462 1.591 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nncn2C)CC1 1740701058 SNRSVXFNSKAIEE-SJLPKXTDSA-N 412.542 1.129 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1740729784 MBCHSTQMWNDAAO-KGVIQGDOSA-N 414.554 1.578 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1740786159 RVQQBXJVSOTTOO-BEFAXECRSA-N 404.471 1.776 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1740795949 JCSYGNJBTIRRNA-KRWDZBQOSA-N 402.499 1.732 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccco2)C1 1740970095 DRWQHDKXRFZGAG-FOIQADDNSA-N 403.483 1.698 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741436291 JBFQMFRLPJDWGA-ZBBYCGENSA-N 416.526 1.866 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1741891126 KQQVBBXZBCOHSU-CZUORRHYSA-N 407.496 1.902 30 10 HDEE CCOC1CC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)C1 1746957005 JKOOZVWOYFPKRH-LTQQYIGLSA-N 416.482 1.674 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1747707145 NPKCSCWBRONHNC-GOSISDBHSA-N 424.505 1.920 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1748191638 DGQGBRRKBMJOIK-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C[S@@](C)=O)cc1 1748803167 OZOYSHZRZLADCO-XFLNKKNVSA-N 416.547 1.998 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748811845 MLJRNVKGMYDEOC-CQSZACIVSA-N 422.461 1.407 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(O)(CC)CC)CC1 1748971166 FYURRDYWFNKOCW-UHFFFAOYSA-N 404.559 1.503 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1751983285 OXSJUCDOHUEUAJ-VQIMIIECSA-N 424.505 1.679 30 10 HDEE CC[C@@H](C)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1/N=CC=CC1=O 1752740772 GKBBAHRYNXJFRG-ZRZOISBFSA-N 400.483 1.686 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760188227 NUAMFASOQIEBGE-ZJPYXAASSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(SC)CCN(C)CC1 1760193162 VPDNPNZGDYSFPG-UHFFFAOYSA-N 402.568 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2OCC[C@H]2C)CC1 1760268738 WVSKPLFDOPSRRQ-VQIMIIECSA-N 408.506 1.731 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC(C)(C)[C@H]1C 1760553858 KFUSJNDXBACIRD-CQSZACIVSA-N 406.512 1.340 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760565187 QDXAMTPCSOSXTM-GJZGRUSLSA-N 406.556 1.643 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760954854 BBOCFIUEQGAARR-UDJKBAMHSA-N 422.493 1.744 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1763089311 JFWRZHPXUZJDFV-AWEZNQCLSA-N 401.430 1.997 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1763225423 URVCTBJMTVWXGM-IEBWSBKVSA-N 424.505 1.870 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1Cc1nnn(C)n1 1766352321 DYDYCYIECOSYNW-SFHVURJKSA-N 421.509 1.717 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1767424039 FBTSVIYKQQJSGA-CWFSZBLJSA-N 405.499 1.210 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1768321799 UTQSKUMYEWESCT-LJAQVGFWSA-N 418.523 1.904 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCCn1ccnn1 1771293323 IHKDZNHWDBCISH-ROUUACIJSA-N 414.514 1.814 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC2)CCO1 1771539272 SHJQLYWCBZNGIT-ZIAGYGMSSA-N 402.480 1.035 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1772564790 ORRDXRPQEKJOBX-CQSZACIVSA-N 405.528 1.169 30 10 HDEE CCN1C(=O)c2cccc3c(S(=O)(=O)NCC#CCN4CCOCC4)ccc1c23 1849440129 ILBZSQRIYKMRLJ-UHFFFAOYSA-N 413.499 1.434 30 10 HDEE C[C@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 1849998784 LDVPXVXHUQIGAM-OAHLLOKOSA-N 417.469 1.971 30 10 HDEE C#Cc1ccc(NC(=O)[C@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)cn1 1850550113 QZTVJMWPFDMZRI-OAHLLOKOSA-N 405.476 1.283 30 10 HDEE COc1c2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2nn1C 1851196107 NHQALYCDHBJEAK-UHFFFAOYSA-N 420.473 1.828 30 10 HDEE Cn1ccsc1=NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852049852 QEOJYYFBJVNSDQ-SJORKVTESA-N 401.536 1.377 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1852359970 GZKMRTZCADVUIJ-OAHLLOKOSA-N 418.372 1.722 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c(C)c1 1853390418 VNPNBNGPNBYRGT-KRWDZBQOSA-N 404.474 1.667 30 10 HDEE C=CCN[C@@H](C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 1853460213 ZASIEWVQIGFHDT-KSSFIOAISA-N 424.567 1.705 30 10 HDEE COC1CCN(C2CN([C@@H]3CCCN(C(=O)Cc4ccc(C#N)cc4)C3=O)C2)CC1 1853806520 LWOXSLWNSDFMLI-OAQYLSRUSA-N 410.518 1.413 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)[C@@H]1C 1854283036 UTWGIIQVDTYWPC-HNNXBMFYSA-N 423.510 1.472 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN([C@H]3CCC(C)(C)C3=O)C3(CCCC3)C2=O)CC1=O 1854494405 QPSRKOAEXAKNBK-IRXDYDNUSA-N 415.534 1.762 30 10 HDEE COCC(=O)N1C(=O)[C@@H](C)CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 1854842394 NXTUTGZVXYMMOM-AWEZNQCLSA-N 413.455 1.909 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCCN(C4COC4)CC3)CCC2=O)cc1C#N 1855837711 NGWAKCCACWKFKE-GOSISDBHSA-N 410.518 1.652 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccn3ccnc23)CCN1CCOc1ccc(C#N)cc1 1855908768 RHKSVVAFPOEBGC-INIZCTEOSA-N 403.442 1.958 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cncc(F)c1 1855976370 ZYSYLIGBCQRWCE-UHFFFAOYSA-N 402.407 1.484 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC4(CC3)C(F)(F)C43CC3)CC2=O)CC1=O 1856486103 FYSKOHKELZBQRK-JKSUJKDBSA-N 421.488 1.907 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1856551383 MAWOGAQQLOVUDH-LJQANCHMSA-N 417.531 1.912 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)ccn1 1857247635 XSIQPABYWFKXBV-LJQANCHMSA-N 409.490 1.071 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(OC)cc2OC)C1=O 1863753575 IAIYDEJBZOOODC-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC(O)CC2)=C(N)Oc2c1c(C)nn2C 1865227374 IHLOVCQAXWIVJT-IBGZPJMESA-N 424.501 1.971 30 10 HDEE CCCCS(=O)(=O)Nc1c(C#N)nnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 1870095361 GJYQRZCWVCFZCE-UHFFFAOYSA-N 422.423 1.515 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874436192 PZVABEQUSUBPIO-DJKKODMXSA-N 420.451 1.750 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985100293 DWDZJDTYGANKHX-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C[C@H](O)C1 2018050593 NLKRVGHXALQOJE-RXDHQFPFSA-N 422.331 1.955 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2060560063 YLYDUXGNJFAFSA-LLVKDONJSA-N 414.304 1.843 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2118163283 PEQCXDBNMGMPTI-YDBLSZJJSA-N 400.482 1.407 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N)NC(=O)OC(C)(C)C 2162923952 CNANGLAXFZUDGQ-RPHGYIDUSA-N 416.525 1.840 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H]1C(F)F 2174788224 BZPAFNSOIMPEKZ-OLZOCXBDSA-N 408.471 1.557 30 10 HDEE C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)CC1(C#N)CCOCC1 2174788870 JXRDDSAGVZBPKR-AWEZNQCLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)c3ccc(C#N)s3)C[C@H]1CCO2 2175162312 FEJWQPKNWKNNBA-SJKOYZFVSA-N 413.521 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1cc(C#N)cc(Cl)n1 2183498096 UQUXAZRQBQBTPA-UHFFFAOYSA-N 412.899 1.831 30 10 HDEE CC(C)[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247812934 HXMFMTPTTNILJU-CQSZACIVSA-N 422.335 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247822161 BWHDEKZPHOCIAJ-UHFFFAOYSA-N 418.303 1.544 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2247823073 LANKPCDYRWAQPB-KBPBESRZSA-N 418.303 1.543 30 10 HDEE CCn1cc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247910303 KOTCGWFYEUNUQW-QWHCGFSZSA-N 420.319 1.598 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCCCS(C)(=O)=O 2281947549 UXEYIKYQRDXYMS-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCNC[C@@H]1F 2282314681 CXWPRYAJRAPJPU-NWDGAFQWSA-N 404.338 1.334 30 10 HDEE CC1(C)CN[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331335 MGLZXUUPEGYIOJ-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333082 KJJIOOUPWOVGJI-JSGCOSHPSA-N 400.375 1.938 30 10 HDEE C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282336329 BMAVIXOCXBRETI-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCCS1 2282336562 ADVBGHBCSJURMP-MRXNPFEDSA-N 401.363 1.283 30 10 HDEE C[C@H]1CC[C@H](CO)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282494059 WSBOFIMAANCQEP-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H]2CCCO)OC1(C)C 2282495743 QOBRHUQHMUBHFP-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CS[C@H]1CC[C@@H]1NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282501169 TXTJAPOLRYIOBB-RYUDHWBXSA-N 401.363 1.200 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1O 2282828644 RWYNUFPDCIQFSJ-ZYHUDNBSSA-N 402.347 1.021 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282846259 HIZALQRTMKDJKB-OLZOCXBDSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(F)C[C@@H](CO)C2)OC1(C)C 2282866862 PZFUAXPQNUSBJI-AITUWYQGSA-N 405.322 1.436 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282867218 VODGWKYSQUCPNJ-UHFFFAOYSA-N 401.721 1.808 30 10 HDEE CC[C@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402569 KAMQZXTXQXUAKU-LLVKDONJSA-N 403.331 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H](C)C(=O)O 2284411501 LEFCOOKQTKHKNX-JTQLQIEISA-N 403.331 1.697 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300271999 ORLROIFTLWFGPF-STQMWFEESA-N 422.335 1.751 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c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c1cccc(C#N)c1)C2=O 10055356 ONXPKNVDYRJBAU-YZGUTLMUSA-N 412.446 1.929 30 10 HDEE CCN(/N=C1/C(=O)Nc2ccc(Br)cc21)c1nc2c(=O)[nH]cnc2[nH]1 59382080 TZMGHSJQAZAUGJ-UHFFFAOYSA-N 402.212 1.591 30 10 HDEE O=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 96352712 UHGHKEPDSBUBFH-UHFFFAOYSA-N 401.400 1.881 30 10 HDEE CS(=O)(=O)CCN1CCN(C(=O)/C=C\c2cn(CCC#N)c3ccccc23)CC1 98055815 XUPOSEIXUFYENO-FPLPWBNLSA-N 414.531 1.757 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccn2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102559009 XRXOCKPTTVOCLB-HMNTXPNISA-N 413.386 1.420 30 10 HDEE CC[C@@H](C)NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])[nH]1 253566787 JJXMESCAQATGIW-KFPHLYOZSA-N 423.455 1.880 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3nc(C(F)(F)F)ccc3C#N)CC2)cn1C 301693563 LQXBJTORVWKALU-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1 410133070 ZQUJWQZEHQQZLW-DOTOQJQBSA-N 400.570 1.827 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)C1=O 440239657 GUHMVVZQPJAKLU-ZDUSSCGKSA-N 419.388 1.858 30 10 HDEE COC(=O)c1scc(C)c1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 442759624 RRJXLLHANXAUPH-UHFFFAOYSA-N 406.489 1.621 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1 446210121 HNGCTVDYCXYRCD-UHFFFAOYSA-N 419.441 1.893 30 10 HDEE C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCOc1ccc(C#N)cc1 466107762 NVRWFCOUJZSPIF-AWEZNQCLSA-N 402.476 1.987 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NCCOc2ccc(C#N)cc2)cn1 486492948 FFNWFZMUPYRJJX-WRHNGFHOSA-N 401.492 1.669 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Cc3ccc(O)cc3)C(=O)OC)cc2C1=O 498548059 XKZDPCWOLKDMCS-INIZCTEOSA-N 422.437 1.936 30 10 HDEE Cc1nc(SCC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c(C#N)c(C)c1C 506702355 ZAWIKRRBHXHGKS-GOEBONIOSA-N 410.565 1.805 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 508496573 ZSZNAAOSPZOVOC-HZPDHXFCSA-N 409.556 1.814 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCO[C@]3(CCCOC3)C2)cc1Br 509592090 MLJKEJNUCYAGTF-OAHLLOKOSA-N 401.282 1.891 30 10 HDEE N#CCSCC(=O)NCc1ccccc1N1CCN(C(=O)CSCC#N)CC1 511956581 QPZDJZCEHHDBNX-UHFFFAOYSA-N 417.560 1.465 30 10 HDEE C=CCn1c(SCC(=O)N=c2nc(C)[nH]o2)nnc1[C@H]1COc2ccccc2O1 513275635 IBGJMBLTQGCNHP-CQSZACIVSA-N 414.447 1.821 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)O)ccc1C(F)(F)F 515515879 SMLSNEKIUSXGGJ-CQSZACIVSA-N 405.398 1.794 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(Oc3cccc(C#N)c3)CC2)C1 517132918 CASRDDZNRQFVGF-QFIPXVFZSA-N 414.550 1.874 30 10 HDEE N#CC1(NC(=O)CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)CCC1 527127583 JZFICNDHFFWWLB-UHFFFAOYSA-N 423.439 1.824 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 534198016 QFOOGRQZGWVFMN-INIZCTEOSA-N 423.477 1.219 30 10 HDEE CCOC(=O)c1sc([C@@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1C 543542948 QNUSDIDPVMODTA-HZPDHXFCSA-N 421.567 1.971 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)CC2)n1 545463589 RPOZIFVOVJHITL-UHFFFAOYSA-N 400.442 1.521 30 10 HDEE COc1ccc(-n2cc(O)c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)cc1 545490611 MAINTQPOVNKQTI-UHFFFAOYSA-N 404.430 1.816 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@]3(C2)OCc2ccccc23)cc1 574125772 RGVDMWYWGSLFDH-OAQYLSRUSA-N 411.483 1.885 30 10 HDEE CC[C@H](C(=O)N1CCN(C(=O)CC#N)CC1)n1nnc(-c2ccc(Cl)cc2)n1 578430328 WULLDBDUJHSTFV-OAHLLOKOSA-N 401.858 1.529 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](CC)C(=O)OCC)nc1C 586304320 OMHBDXQWEXGKIO-QYOLQKOISA-N 402.494 1.823 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1C 588830030 NKTBQKZOTSJNSS-FQEVSTJZSA-N 412.471 1.811 30 10 HDEE COCCN(Cc1scnc1C)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 589503861 YLVFNHKQRQDQTA-UHFFFAOYSA-N 408.505 1.277 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(F)c1 609257163 WERFVUHHYOFVSD-UHFFFAOYSA-N 405.393 1.941 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 609431207 FCSMVFUKULKRRB-UHFFFAOYSA-N 414.506 1.348 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F 729484663 OZYQVNBFVUWACK-NSHDSACASA-N 422.887 1.249 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@@H]2CCOC2)C1=O 731560670 XMGDXZFRCZRJQS-RHSMWYFYSA-N 416.503 1.679 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1 732155146 XSLRMJNQBBFUMS-UXRKVSLXSA-N 414.487 1.404 30 10 HDEE C#CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 733163610 OYMROCJQDHZQQG-UHFFFAOYSA-N 423.538 1.825 30 10 HDEE C#CCN(C[C@H](O)CN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 733613883 OSRRWBKHDNESLR-AEFFLSMTSA-N 409.324 1.901 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)c1C 745044975 MNWFTAFZXGURJI-UHFFFAOYSA-N 400.435 1.424 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)c2ccc(S(N)(=O)=O)s2)CC1 745252421 HYNQSKYPXGSLTI-JKGQDXBKSA-N 413.521 1.872 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(c3nccn(C)c3=O)CC2)cc1C 745991420 QJMHKFJSGHLSHM-UHFFFAOYSA-N 408.506 1.466 30 10 HDEE C[C@@H](CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 749872763 AZRVAAIJBHLHIB-LBPRGKRZSA-N 410.496 1.145 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2(C)CC2)C1=O 751921852 ARZUDTWIJHUPCN-BJUXRVGASA-N 417.579 1.792 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H](O)c1c(F)cccc1Cl 752963358 GBWUFDXOEMNJKN-UGVXHBKPSA-N 410.833 1.727 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 758385677 VXKVODSAWOQVAV-HRCADAONSA-N 415.498 1.504 30 10 HDEE C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[S@@](C)=O 765945849 QTQFFWGXTQDPJW-PHTGKAQKSA-N 414.553 1.778 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC 766870103 QLYWIYBVPZQSTG-OAHLLOKOSA-N 412.464 1.262 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766987995 GMAOVDSYQNSMPA-DGCLKSJQSA-N 411.505 1.319 30 10 HDEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)C1 774229499 CEHZZPASIVLLNX-KCQAQPDRSA-N 424.523 1.768 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1-c1ccccc1Cl 777249062 PGWYBKRGZBGRDD-OAHLLOKOSA-N 412.881 1.971 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c(OC)c1 780905549 SDLWZDCHYOMHBB-FQEVSTJZSA-N 409.442 1.593 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC(F)(F)C[C@H]2CO)c1 782020720 YJCLWMQPDGGTSF-HJIPDZNASA-N 416.450 1.733 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCCn2ccnn2)C1=O 784124624 JUNRMHJTEKHTKA-AWEZNQCLSA-N 408.434 1.714 30 10 HDEE C#CCN(C(=O)Nc1cc(Cl)c(F)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 792505919 ZUEXVUPQTJIMAH-NSHDSACASA-N 402.831 1.920 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cnn(C)c1 796385365 SOGGDVOUZMRAEI-DLBZAZTESA-N 402.499 1.527 30 10 HDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)N(C)CCOc1ccc(Cl)cc1 798740695 AMCJFDHBYWMOAA-STQMWFEESA-N 405.842 1.833 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 802553247 FQIYUHKZHOKKDA-CYBMUJFWSA-N 405.471 1.423 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCc3cc(Br)cnc32)C1=O 809293759 RLLMJNIVEGRJIF-NSHDSACASA-N 408.208 1.351 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 811494000 QBHKWZHIMSRRQN-KSQNUWJUSA-N 418.493 1.356 30 10 HDEE COc1cc(I)c(C(=O)N[C@H]2CCN(O)C2=O)cc1OC 820174778 MQJZHLYAYMCSEI-VIFPVBQESA-N 406.176 1.028 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1 916178680 KGOXFIYLCUGCMW-UHFFFAOYSA-N 421.425 1.993 30 10 HDEE CNC(=O)Cn1c(-c2ccc(O)c(C(N)=O)c2)csc1=Nc1ccccc1C#N 917645752 SRGLHMVQESMHQU-UHFFFAOYSA-N 407.455 1.871 30 10 HDEE CCOc1cc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)ccc1O 1084116679 JGUMVFWHMAPPRX-UHFFFAOYSA-N 419.511 1.221 30 10 HDEE C=CCN1CC[C@@]23c4c5ccc(OCOCCOC)c4O[C@@H]2C(=O)CC[C@]3(O)[C@@H]1C5 1084662200 NZJKRIFMMUJFAW-MKWLTTDUSA-N 415.486 1.595 30 10 HDEE COc1cc(CNC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)ccc1C#N 1117688616 FCAMPMPKASTEEZ-OAQYLSRUSA-N 407.430 1.621 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1cc(C#N)ccn1 1128083568 PVJZNCAZVULQOA-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)cc1 1129127016 PPMGUQZPFHZVFY-QFIPXVFZSA-N 409.417 1.921 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)CCO1 1134494964 GBJVKQXTDIQSJF-CYBMUJFWSA-N 401.160 1.954 30 10 HDEE CNC(=O)CC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1137214812 DUKBNGGALFNOSB-KRWDZBQOSA-N 411.462 1.138 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1 1144334166 CLLKFFJRSBOVLL-AWEZNQCLSA-N 417.462 1.829 30 10 HDEE C[C@H](CC(=O)N1C[C@@H]2CC[C@H](N(C)C)C[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 1159298560 NOAXARGQQIMBCZ-QZWWFDLISA-N 418.563 1.692 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(NS(N)(=O)=O)CC2)c1 1175220760 ZQQDDVXYSQKSNF-MRXNPFEDSA-N 407.540 1.196 30 10 HDEE COc1ccccc1[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 1175428520 XVGCHYYICBIEHD-CTNGQTDRSA-N 400.523 1.761 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1178260402 JOMPKQSZQMIXTN-OAHLLOKOSA-N 401.488 1.651 30 10 HDEE CN(CCN1CCCC1=O)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1186970009 BWMPYVYGEGTQRE-UHFFFAOYSA-N 404.261 1.703 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(N3C(=O)N[C@H](CC)C3=O)c2)CC1 1205691517 JDKRHTLPSHOBQP-QGZVFWFLSA-N 411.462 1.515 30 10 HDEE CC1(C)CO[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1248444430 NRHSHWGVQFKGAK-MRXNPFEDSA-N 406.508 1.389 30 10 HDEE C=CCOCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1253543225 UFYXZJPNCGNKGV-HNNXBMFYSA-N 411.499 1.821 30 10 HDEE COC(=O)[C@](C)(CCF)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1279258982 XZDQUJUPZVMXNH-KUHUBIRLSA-N 404.398 1.171 30 10 HDEE CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@@H](C)C#N 1280443378 GROMWRJPNHLXFY-ZDUSSCGKSA-N 412.468 1.765 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1283987927 KCFMGOVWPMBVBA-ZVSMAOMNSA-N 401.507 1.083 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1286291534 XVAQWCHXBOALNA-ILHIWHGASA-N 424.530 1.561 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1286291671 DQNXOFALSVPIMM-YOEHRIQHSA-N 412.469 1.565 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)N(C)CC)c1 1286312033 QDAZBKFBNJRZBP-UHFFFAOYSA-N 408.506 1.765 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1286386480 ALNLCFCEELSKRW-KRWDZBQOSA-N 417.535 1.503 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286395483 RMYUDAYXZMAMBC-DLBZAZTESA-N 422.551 1.452 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cn2ccccc2n1 1286464406 ABPVVIDDZCKSPF-KRWDZBQOSA-N 407.478 1.206 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](CNC(C)=O)C1 1286618649 DVBVSWBQLBKOBX-OAHLLOKOSA-N 412.922 1.290 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(CC(N)=O)CC1 1286779948 OQVNCEMGGLTEKV-UHFFFAOYSA-N 416.913 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](CC)C1 1286785623 HHQBMOHZFGKILT-ZDUSSCGKSA-N 418.523 1.640 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300421977 UXDWNQBNZFIPFY-SFHVURJKSA-N 400.527 1.115 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1300475946 TXRUWRXRTNRSLB-MRXNPFEDSA-N 418.519 1.760 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1300537225 BEOLRCFCOUZEDN-QGZVFWFLSA-N 405.524 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc2c1OCO2 1300545396 OUYLLRRFGMSRDB-UHFFFAOYSA-N 402.458 1.990 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1300699780 HUOYPMPALGLKKD-AVRDEDQJSA-N 413.522 1.655 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301458900 IXQLEAJXNAOEOM-RTBURBONSA-N 416.570 1.881 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301610350 WSPKPFNAAMPMPS-RDJZCZTQSA-N 415.567 1.951 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)C1 1303558986 QJKCIRRHPJYSLG-SFHVURJKSA-N 415.538 1.902 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1310106739 XNCKZRGERDTLJJ-CQSZACIVSA-N 413.496 1.165 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCOC1 1316101646 LSIYSCMQZWHGNQ-FQEVSTJZSA-N 421.448 1.665 30 10 HDEE COCCOCCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1316264478 RJNYWFVQMWCKPU-UHFFFAOYSA-N 421.505 1.996 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)CCO1 1316539083 BPDWORJZLFSDOF-ZIAGYGMSSA-N 402.480 1.002 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ncn(Cc2cccnc2)n1 1318095766 WDPZILLUFVXGNV-UHFFFAOYSA-N 401.434 1.824 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 1349462577 FXMWBQIYNDQIDD-IYBDPMFKSA-N 424.461 1.761 30 10 HDEE CCCCn1c(N)c(N(CCOC)C(=O)c2sccc2CC#N)c(O)nc1=O 1352110482 RQVAZGWIRLASHS-UHFFFAOYSA-N 405.480 1.752 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(-c3ccn(C)n3)on2)c1 1356457781 JDTZBZBGQOSRQO-UHFFFAOYSA-N 419.441 1.562 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1358877213 ZCSLNFQALPVHSQ-OAHLLOKOSA-N 418.519 1.351 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(-n2cncn2)nc1 1358998743 QYVILXNTJIDJPS-GOSISDBHSA-N 402.462 1.617 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCSC2)CC1 1359037942 FBJQZNVDDFOOGU-QGZVFWFLSA-N 402.568 1.299 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359056790 LMDGFXMKVSIWTC-JKSUJKDBSA-N 407.540 1.815 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1359124814 FOWUBTJNXYHKFB-NRFANRHFSA-N 418.542 1.844 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1359215403 AWEJMAZFMPBUBP-INIZCTEOSA-N 409.556 1.594 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1359305799 NARXWWGLSAPMKH-HZUJVAHNSA-N 419.526 1.236 30 10 HDEE C#CC[C@H](NC(=O)CSCC(=O)Nc1cccc(Br)c1)C(=O)OC 1451178189 HVBDBYLWPXUFDD-ZDUSSCGKSA-N 413.293 1.802 30 10 HDEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1452948076 PYXUGRPHYCABHV-HZPDHXFCSA-N 400.439 1.891 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@H]4NC(=O)NC4=O)cc3)CC2=O)cc1 1454159366 LMIBXJQWPUSOIQ-KBXCAEBGSA-N 403.398 1.430 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1454677718 XKENVCSGAQYMAM-CBGDNZLLSA-N 405.495 1.938 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CNC(=O)NC)ccc1F 1454740084 FZFDJVASFCZSRT-CQSZACIVSA-N 412.487 1.214 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 1456676297 OIHPKHWQYHLTTG-DLBZAZTESA-N 421.519 1.985 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)CC2)c1C#N 1459037981 UOANOXUCXZZNDF-UHFFFAOYSA-N 406.490 1.817 30 10 HDEE C=CC[C@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1460509292 AUGPEIJAOVBQGR-KRWDZBQOSA-N 407.536 1.222 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)CCCCC#N)CC2)CC1 1461695768 TWZHRINTSKTIKW-UHFFFAOYSA-N 407.515 1.887 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC)c2cccc3ccccc23)C1=O 1462789255 MMGPUTXEXDHVIM-QGZVFWFLSA-N 409.398 1.147 30 10 HDEE CN(C)CCn1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 1464263595 WKBONGXUORIFDM-PYCFMQQDSA-N 418.523 1.510 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1464955762 RQHNQUQHSMGTIH-OAHLLOKOSA-N 409.508 1.766 30 10 HDEE C[C@](C#N)(NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 1465226075 UWGDOIVCAPMRJU-SJLPKXTDSA-N 413.927 1.958 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)cc1C#N 1468031800 ANDCHMDISQKIHQ-CYBMUJFWSA-N 400.464 1.149 30 10 HDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1469648693 KWILVQWQOIMPHU-HNNXBMFYSA-N 422.425 1.776 30 10 HDEE Cc1ccc(C(=O)N2C[C@]34CCCC[C@@]3(COC4)C2)cc1S(=O)(=O)NCC#N 1470500224 CPFWSKKPHYQHKA-PMACEKPBSA-N 403.504 1.830 30 10 HDEE C=CCOCCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1470822878 ZFCXUJJBMHPZTG-OAHLLOKOSA-N 419.544 1.303 30 10 HDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H](CO)c1ccccc1 1471515044 PMZWIXASWCZMPJ-GOSISDBHSA-N 401.488 1.993 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cccc2c1OCCO2 1472033107 WQBYSDFZVMOMHP-CQSZACIVSA-N 415.471 1.355 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@H](O)CC4(C#N)CC4)C3)[C@@H]2C1 1473743263 GAUUCRLWMTUZHT-HZMVEIRTSA-N 420.510 1.556 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1475803342 NHPLICWZIWKFNZ-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1478350716 IFJOWYQJMYJWSP-INIZCTEOSA-N 411.499 1.442 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)C2)nc1 1478633041 MYWYGXOFMMIBSL-OAHLLOKOSA-N 403.450 1.919 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)C2)nc1 1479113587 YAKRZJNPLLLYFI-ZIAGYGMSSA-N 408.388 1.934 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOC2=O)cs1 1492675051 MCQYHNJVCOFLSH-SFHVURJKSA-N 419.486 1.918 30 10 HDEE CCc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498993471 PLBNCRLFNLCQGO-MVZUJROASA-N 423.477 1.420 30 10 HDEE CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)c1=O 1502235974 DGGSRIWMKBNBJJ-UHFFFAOYSA-N 423.521 1.760 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1503386570 HQPRKMODJYOUNM-KSMMKXTCSA-N 401.446 1.567 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC(C)(C)N1CCOCC1 1505058236 WMFJNYAJTYAHMA-BZSNNMDCSA-N 420.558 1.851 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)CCO1 1505322803 UGYWYECQOSERON-LLVKDONJSA-N 411.800 1.104 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1507521359 XXFCXHHKMALHKS-LBPRGKRZSA-N 403.288 1.796 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1507572365 HPPLTRRSPYSTGI-HNNXBMFYSA-N 405.466 1.809 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1507593481 QAJZFLFDPNMBJB-UHFFFAOYSA-N 408.510 1.239 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(=O)Nc2c(C)cccc2C)CC1 1507733169 YXDUVRPKOBKCID-UHFFFAOYSA-N 410.522 1.825 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1508000393 ADHOPXLUINPOAD-QFIPXVFZSA-N 411.506 1.858 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1508097534 ITTQQHDMBKWRRY-CSODHUTKSA-N 419.526 1.095 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1509953472 MSXLTPOLZWCPJX-QWRGUYRKSA-N 406.384 1.885 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(N)=O)CCCC1 1513924695 PGSJWIFZEGPIAI-UHFFFAOYSA-N 408.510 1.479 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1517403296 YYWZYDQJYFCPKU-SFTDATJTSA-N 422.493 1.534 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1520811708 SAJRPLMIOJLFLJ-VGOFRKELSA-N 421.538 1.875 30 10 HDEE COc1cc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)ccc1C#N 1525137319 WRPCZXGCLBZBRY-UHFFFAOYSA-N 418.475 1.709 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2nc(N(C)C)ncc2Br)c1 1527626026 UAHLICMFGLYHTC-UHFFFAOYSA-N 402.252 1.655 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCC[C@H]1CCCS1(=O)=O 1536612473 DPMPHKYYAYEOBR-LLVKDONJSA-N 401.282 1.783 30 10 HDEE Cc1nnnn1-c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1536971316 FKANLXUGVSHWRU-IBGZPJMESA-N 401.430 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1539001439 AVMNYVUFIAIDSA-GJZGRUSLSA-N 418.523 1.112 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)cc1 1539093594 AQEDIUAUTWVZCM-HNNXBMFYSA-N 405.524 1.947 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539119229 IQPASRGKBNFUOI-BTYIYWSLSA-N 414.510 1.400 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1539345547 UXFQJMKPWOLGHB-MRXNPFEDSA-N 403.405 1.068 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)nc2)CC1 1539428495 RZPIEVRRMOPCHX-UHFFFAOYSA-N 413.913 1.366 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cccc(C)n2)CC1 1539445896 JVDAWFAEAVLOAQ-IBGZPJMESA-N 407.522 1.321 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[S@@](=O)CC)CC1 1539454547 RWDQNVFZVLNSRH-PMERELPUSA-N 424.574 1.874 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1539714584 NDYNDZCMIJEOHC-UHFFFAOYSA-N 421.567 1.914 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539824442 TXUJCYJQBCFIEL-UONOGXRCSA-N 403.936 1.648 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540027214 SCIWMPHLJCCPJQ-INIZCTEOSA-N 408.528 1.285 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1540066232 SETWBNIYKXQDGU-MRXNPFEDSA-N 408.514 1.802 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1)C1CC1 1540095537 RQXHPEKPRAZJQK-SRGMZFCMSA-N 415.585 1.344 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1540180023 FPGPJEKEBNXUSE-KRWDZBQOSA-N 406.494 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540866851 CIOCFCQCDZVVOL-LSDHHAIUSA-N 405.524 1.505 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540872812 BCIRKCPMLHWRHC-IBGZPJMESA-N 420.521 1.913 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@@](=O)C(C)(C)C)C1 1540882000 ZHPLHFZGEPKKTF-GUNSETOZSA-N 423.583 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N2CCNC2=O)CC1 1540902777 QBOJIMLVJQFHJW-UHFFFAOYSA-N 422.555 1.140 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1540919434 AMFAHZDTBNCGDK-OXQOHEQNSA-N 421.567 1.704 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCSCC2)CCOC1 1541105988 PFKCZUVHVRVAPI-PXNSSMCTSA-N 422.599 1.963 30 10 HDEE C#CCSCC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1542188082 WITRZUZVYZJAOI-MRXNPFEDSA-N 409.552 1.671 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)c1cccc(C(=O)OCC)c1)c1cc[nH]n1 1542189343 RRUBBMPZWIYOMR-UHFFFAOYSA-N 416.434 1.923 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)NC(C)(C)C)c1 1542568903 UVYBJTZXSXZTGB-INIZCTEOSA-N 408.545 1.913 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1542885729 GXEBHDVDCVQPCU-KRWDZBQOSA-N 423.558 1.632 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)C1 1543557739 JKRJALOIUSYKIO-UHFFFAOYSA-N 414.487 1.358 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CCN1C1CC1 1544372036 ROWMESWEAFURCO-GOEBONIOSA-N 404.264 1.729 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1545060733 ORLURBOQDMLFBQ-HLLBOEOZSA-N 410.478 1.621 30 10 HDEE CN(CCc1nccs1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554264350 LRNYFGBMUJWPOR-FBMGVBCBSA-N 413.507 1.817 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1554460921 CUJHINBCQYNBFR-OAQYLSRUSA-N 412.494 1.585 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1555717017 ZINHOJGFTNMCFH-JOCHJYFZSA-N 424.505 1.729 30 10 HDEE COCC1(O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1556760856 CWISUUSLEWVJMM-QGZVFWFLSA-N 401.463 1.612 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C(=O)OC 1556969703 BPEVXNZMCKWVED-CVEARBPZSA-N 412.533 1.076 30 10 HDEE CNC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(F)cc1C 1557187706 VQLXVEQXCHZSNM-AYAKEVCGSA-N 416.453 1.072 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@@](C)(C(=O)OCC)C2)CCCN1C(=O)OC(C)(C)C 1558003724 MDIBVELISVFKTP-RTWAWAEBSA-N 408.495 1.960 30 10 HDEE N#Cc1cncc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 1558451057 DMKUETFNAGVZDM-UHFFFAOYSA-N 420.516 1.338 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2c3ccccc3CC[C@H]2O)s1 1558539781 MMTKSIZNOHUABQ-APWZRJJASA-N 406.529 1.920 30 10 HDEE COC(=O)[C@@H](Cn1ccnc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1558969356 CMEJRYWOLVOGGZ-MRXNPFEDSA-N 404.467 1.191 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C(=O)OC 1561641169 FJXCYARBBHLXAJ-LLVKDONJSA-N 415.265 1.177 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccc(C(F)(F)F)n1 1569302186 FODZFYACHHCPJU-NSHDSACASA-N 412.393 1.955 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCc3ccccc3)cn2)CC1 1585000132 OMSSUKYRQLPRGS-UHFFFAOYSA-N 406.486 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3(C#N)CCC3)CC2)CC1 1585029342 YGPYYXWUPAZQMJ-UHFFFAOYSA-N 405.499 1.497 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCCOC)C1 1587846989 AFXDVPLVJMSIAE-OAHLLOKOSA-N 401.467 1.661 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1588030226 RECYQJOPSVQDDQ-MRXNPFEDSA-N 405.499 1.785 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1588065477 ZKVYDJACUKRMKB-IBGZPJMESA-N 419.595 1.733 30 10 HDEE C#CC[C@@H]1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1588167072 PFEZUWHIOVXFSF-OAHLLOKOSA-N 423.491 1.876 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](O)CC3(CCOCC3)C2)s1 1588190835 PKJGASRPMMHWNH-CQSZACIVSA-N 414.549 1.145 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)COCCO2)CC1 1588762536 JTIOJGBCAHNLGF-QFIPXVFZSA-N 411.506 1.514 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(C)C2CC2)CC1 1588876908 NMSRQXSCBZQIRK-BJLQDIEVSA-N 416.570 1.240 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(O)CCSC2)CC1 1588884959 PPNRHYFNTFSVLG-FOIQADDNSA-N 405.568 1.625 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589042630 IUZTVEQZIYLXDF-IBGZPJMESA-N 417.560 1.722 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1589652265 RCCVRKVLKNRYJT-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1593833933 GXZOLIUZXXCOSG-UHFFFAOYSA-N 420.857 1.901 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1594807492 QGBSCOSGOZGMQN-DLBZAZTESA-N 415.498 1.133 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595522827 KTJZEBWSUNALJN-MGPUTAFESA-N 400.483 1.350 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCN(CCC)C2)C1 1595714381 NOIYRGDDVODCHO-KSZLIROESA-N 402.543 1.742 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OC)C(F)(F)F)C1 1595714483 OEHJVCRQUWRTJX-HZSPNIEDSA-N 417.432 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(C)C)C1 1595784037 AHCZXAFLZNMQMM-QGZVFWFLSA-N 405.524 1.802 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccccc1N1CCOCC1 1596092461 BVGVVZHHBALWOM-SFHVURJKSA-N 420.517 1.855 30 10 HDEE C#CCN1CCC(NC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1596609816 HMYVLGPAHAUBTP-OAQYLSRUSA-N 404.511 1.746 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)cs1 1612412021 HLGKMFIAIPPLAJ-QGZVFWFLSA-N 401.540 1.849 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1616893706 BGPLODUAQLNAQH-UHFFFAOYSA-N 416.503 1.863 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc(S)o1 1617080726 UDXRNVHPYQHSSI-LBPRGKRZSA-N 423.520 1.170 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)Cc2c(C)nn(C)c2C)s1 1618639675 WHYDJAGZABGHPQ-LBPRGKRZSA-N 410.565 1.853 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1ncn(C)n1 1620091781 UEOFLSXNFPMAMT-RDJZCZTQSA-N 400.487 1.309 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1620164676 RBHGKCQDTXTZPG-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE C#CC1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)CC1 1622278459 YBVBOTZBUGWJQX-UHFFFAOYSA-N 400.522 1.881 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1623658580 AAWCIAGXFQXQRV-QGZVFWFLSA-N 408.520 1.641 30 10 HDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849732 JJZPEUUKPVFVIH-KRWDZBQOSA-N 417.510 1.920 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1624664600 MEHZMLZILMHTGP-UHFFFAOYSA-N 412.446 1.584 30 10 HDEE COCCOc1ccc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)nn1 1628856619 ACEWHFFHRZILMO-UHFFFAOYSA-N 418.494 1.769 30 10 HDEE C#CCC1(NC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCOCC1 1632027913 JPGKXTBXQYYKHV-UHFFFAOYSA-N 419.547 1.853 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 1632150827 MEONGWLVWVVWQP-UHFFFAOYSA-N 415.446 1.438 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)CSc2ccccc2)CC1 1633467327 TZJIUZTXADAYRI-INIZCTEOSA-N 410.565 1.352 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CCN(C)C)c1cccnc1 1635354465 XRXNDRAXBWCQFD-KXBFYZLASA-N 415.519 1.429 30 10 HDEE C[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(C)(=O)=O)cc1 1635905734 JXVXCRXKJMZGPN-LTFJSZEESA-N 405.476 1.226 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)O2)[C@@H]1C 1638604599 DFNWUEQIKJMPAV-IGMJJTELSA-N 421.519 1.204 30 10 HDEE C[C@H](CC(=O)N1CCO[C@@]2(CCSC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1638721636 AKSFUMCBJQUAKU-ACJLOTCBSA-N 409.533 1.238 30 10 HDEE N#C[C@@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CCc2ccccc2C1 1638848479 SOLVIHINNWXJRZ-XMSQKQJNSA-N 408.433 1.367 30 10 HDEE C[C@H]1NC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)=NN(c2ccccc2)C1=O 1638906300 OXLIFENVDNOMOQ-NVXWUHKLSA-N 417.473 1.695 30 10 HDEE C=C[C@@H](C)ONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1639673056 DZYXSBHXYIQLRS-GFCCVEGCSA-N 400.453 1.479 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 1640976797 LADFLGVXYRVBBG-MJGOQNOKSA-N 402.447 1.247 30 10 HDEE Cc1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1S(=O)(=O)NCC#N 1645728607 ZDMCQBVGRVVYEW-UHFFFAOYSA-N 420.491 1.244 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NC[C@@H]2CCCN(CC#N)C2)nn1 1650834131 WEPLRWCOBFUDHH-INIZCTEOSA-N 419.530 1.548 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1654476211 DTCZFARDCPDJBB-QUCCMNQESA-N 419.547 1.683 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 1657689570 HIXGVPJLDUUNOR-JSGCOSHPSA-N 414.915 1.836 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1662781995 DBOLSMFSECKYHR-IEBWSBKVSA-N 406.504 1.699 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)C(=O)OC 1663796811 OTCBHGFINQIXTA-ZDUSSCGKSA-N 420.281 1.318 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1)C1CCOCC1 1674596924 JHNJFUFTBQZBBZ-KRWDZBQOSA-N 400.435 1.491 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)nn(-c2ccccc2)c1N 1674930586 YXNCKBMJPOKNCY-LJQANCHMSA-N 421.505 1.711 30 10 HDEE C#CC[C@H](COC)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1677397412 XYIMFCJFZNLGKT-QGZVFWFLSA-N 403.479 1.646 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)CC1 1678839361 HFVQSFXPWMYWDS-UHFFFAOYSA-N 410.396 1.634 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(c3nncn3C)CC2)cc(OC)c1OC 1683367159 JJWDOXZZOTUNMB-UHFFFAOYSA-N 400.483 1.593 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1)c1ccccc1 1683675894 HLEKHVHAJCQHFM-FQEVSTJZSA-N 412.515 1.723 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)C1 1684082698 GDKMFXXLXMLTEX-INIZCTEOSA-N 414.460 1.770 30 10 HDEE N#Cc1csc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)n1 1685525090 RRJUGSIAXILDQM-RNCFNFMXSA-N 408.427 1.666 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 1686270757 HLOUYGRQKOJGAP-OAHLLOKOSA-N 412.943 1.405 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1689924874 XILIXOJFHXKZFP-GOSISDBHSA-N 422.537 1.281 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1689987698 ATFCLWLOHHIWFC-QGZVFWFLSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CCCO1 1690013115 BWAXLPNPIIQFMZ-QHCPKHFHSA-N 416.485 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1690015311 ICHOGICUCQPNPP-FQEVSTJZSA-N 420.517 1.291 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1690092879 ZPCAVTSULSLXAI-OAQYLSRUSA-N 417.510 1.620 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1690104116 MXWSUZPORDKKMZ-ZWKOTPCHSA-N 413.526 1.271 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1690110710 WUXUFXZIHQWMKZ-ROUUACIJSA-N 402.543 1.233 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(OC)CCOC2)CC1 1690129258 SJRUSOKCVJLEBQ-HXUWFJFHSA-N 416.551 1.195 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690483525 RCNPPVBIQVOIMS-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690655232 LRYNKISDNMKUMI-GVDBMIGSSA-N 400.527 1.831 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2COCCO2)C1 1690687808 JMHIUBUNGVJFIT-UWVAXJGDSA-N 408.499 1.127 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1690721120 YDACRAPCRVMDSF-HXUWFJFHSA-N 417.535 1.556 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1693745155 GXBFEZZOPGWRPM-INIZCTEOSA-N 424.505 1.415 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1696518746 ZDWBJVGQZLTTCW-MUUNZHRXSA-N 404.496 1.514 30 10 HDEE C#CCC1(C(=O)N(C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CCOCC1 1701868660 PZDCFYBUWCYWDU-RMMWZPCPSA-N 402.535 1.925 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705526561 MMCCECHPYLFWHW-GOSISDBHSA-N 422.489 1.840 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1705549770 HOEUIDISPOUJMF-UHFFFAOYSA-N 410.503 1.608 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705550048 AEBCVORKVYVUFW-DOTOQJQBSA-N 415.523 1.009 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)n1 1705580772 NTDABXXKZHLDKR-AWEZNQCLSA-N 402.380 1.764 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1CCN(CCN(C)C)CC1 1705595594 YBCYQIYCAKZXAS-UHFFFAOYSA-N 420.565 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@@H](C)C1 1705621755 NGDXSYQZSXARIN-IRXDYDNUSA-N 412.494 1.827 30 10 HDEE C=C(Br)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1705689921 DMKMNFZLXHAPDH-UHFFFAOYSA-N 420.311 1.917 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705755159 NCOULIZNJVWHRV-KGLIPLIRSA-N 410.931 1.660 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705810752 GZLQFGJXUDOFHQ-MRXNPFEDSA-N 423.525 1.759 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCS(=O)(=O)CC1 1705837392 ZNESZEQWQFUQQZ-UHFFFAOYSA-N 421.479 1.415 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706935020 KKKAGOGNRSUGCZ-MDOVXXIYSA-N 415.498 1.638 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1709398324 YLQSPOXIVQLPRA-BDUNBXCCSA-N 422.555 1.707 30 10 HDEE CCNC(=O)C1(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)CCC1 1710317392 DGCPAECSSVYQTK-OAHLLOKOSA-N 423.525 1.270 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1712610557 BKVRTJSHTIYTBK-RBUKOAKNSA-N 424.505 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCCS1(=O)=O 1722349488 OZNXVARQEUFQCI-MRXNPFEDSA-N 416.503 1.753 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)Cc1ccccc1 1722353950 GAAWXFIWGMUHHV-UHFFFAOYSA-N 409.515 1.948 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368251 QCGPJXDXUZQFBE-PXNSSMCTSA-N 402.520 1.375 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nc(C)cs2)CC1 1722433447 VSCGGABXKIIHIU-FQEVSTJZSA-N 416.551 1.499 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2cccc(C(=O)NC)c2)CC1 1722441685 OAFKUSRDGGQQIT-UHFFFAOYSA-N 410.522 1.172 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(OC)CCOC1 1722466404 UDCSFRDTKSILGO-NHCUHLMSSA-N 410.478 1.723 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1 1722507861 QFVYBULAKIRSQW-NVXWUHKLSA-N 415.498 1.548 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1 1722508964 VJGVOWIHNSKPNY-HKUYNNGSSA-N 413.526 1.718 30 10 HDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1725654663 IGBCOOGOKAAEGA-NVXWUHKLSA-N 419.555 1.904 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCCS1(=O)=O 1727568447 GOIAMPLKFOCFEX-OAHLLOKOSA-N 416.507 1.343 30 10 HDEE CCOCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729137586 KHWVGOZKRDXFFX-UHFFFAOYSA-N 419.493 1.755 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1731140895 TXUHWUWBAMHCDM-AGLAPXLDSA-N 423.477 1.074 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740549641 NESPPZIVJKLZBR-YSIASYRMSA-N 422.533 1.588 30 10 HDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1740577864 RJAXETFDYQYKBM-UHFFFAOYSA-N 413.503 1.767 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740622858 JWIMGVVSEPOCKM-GJZGRUSLSA-N 400.508 1.408 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1740623889 CHRCMJQCODVBRI-KRWDZBQOSA-N 400.504 1.611 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCOCC1 1740676025 NWWUBYZLWDCXEL-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCNS(C)(=O)=O 1740676502 FLBHXFFTWOILEY-UHFFFAOYSA-N 405.499 1.874 30 10 HDEE C#CCSCCn1c(N2CCOCC3(CC3)C2)nnc1[C@]1(OCC)CCOC1 1740722135 AKSNGQRCCUYFLG-FQEVSTJZSA-N 406.552 1.913 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)[C@@H](C)CC 1740724701 HSPJKGDNLREMQJ-ILRDRHFLSA-N 411.572 1.678 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](COC)OC 1740892452 HJTNMABSFRAEOE-HNNXBMFYSA-N 422.555 1.830 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(C2CC2)C1 1740937206 VNWLRTLKKCXXRU-KRWDZBQOSA-N 402.543 1.637 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)N(C)C1CCCCC1 1741648795 DPVFXJJWURZMCQ-UHFFFAOYSA-N 415.542 1.947 30 10 HDEE CCC[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1745292011 XFFYWKWSKBHONQ-FUHIMQAGSA-N 407.515 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C 1748667763 ZQQMYTQKJNNNHR-ZYSHUDEJSA-N 410.522 1.999 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1748804436 HRKPZYLEPVLEHT-VQIMIIECSA-N 416.547 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1CCN(C(=O)OC)CC1 1748852478 FFKMTMVINDSVMS-UHFFFAOYSA-N 406.490 1.815 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1748940457 LXQVILIFADHNKM-QYZOEREBSA-N 403.527 1.720 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)N(C)C)CC1 1748999817 GRKGJHWWLAFBMY-QGZVFWFLSA-N 400.502 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1749118922 LFWNOVZMTFSLCZ-XIRDDKMYSA-N 422.555 1.609 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749222992 ONMMAKPSMLFIKU-UHFFFAOYSA-N 418.461 1.863 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@H](C2CCC2)C1 1749650089 JBOROMYLFSJQLC-QGZVFWFLSA-N 416.526 1.069 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2snnc2C)C1 1749712240 GYRGFTRHCXGNKL-UONOGXRCSA-N 424.552 1.170 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OC)C2)CC1=O 1749861706 FMDDWIRIPLLTHX-HKUYNNGSSA-N 424.505 1.537 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1750078363 FTTVRHAHCSGSEJ-OAHLLOKOSA-N 421.505 1.331 30 10 HDEE COCCOCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750105834 XLRPCMHMTGIJEE-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 1750908097 PEAONXNPAWWSOA-UHFFFAOYSA-N 421.505 1.400 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760095347 MKESDQSFSKQZHQ-ZIAGYGMSSA-N 416.448 1.137 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760113049 PJEKXMCULBUQRZ-FHWLQOOXSA-N 416.570 1.573 30 10 HDEE C#CCN(c1nnc(C)n1CCN1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 1760180212 AJLFHZPPWYRWJE-FQEVSTJZSA-N 413.547 1.272 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760185131 QFFIWCVHPPMKNB-GJZGRUSLSA-N 424.473 1.695 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(C)C 1760218146 YXBOHAMCMBDJDK-UXHICEINSA-N 404.518 1.995 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1760228791 RSLZUZGVKIOQCG-UHFFFAOYSA-N 400.508 1.604 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1ncn(C)n1 1760252614 HGUGVPRNCLEUSW-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCc2nnc(C)s2)CC1 1760262793 AQFJGAGUFBFMPB-UHFFFAOYSA-N 422.562 1.812 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2C[C@H]2C(C)C)CC1 1760271206 PRAPKXDZPYITFC-ZWKOTPCHSA-N 412.538 1.583 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1760350148 WPQTZPRBCWCRNJ-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760451782 SVVIJNQRBBWZBC-UHFFFAOYSA-N 404.559 1.568 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1761165380 HFYIHWRYONXWTI-MOPGFXCFSA-N 407.522 1.872 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C#N 1768282117 ZPUFQJXNQXVMEE-HNNXBMFYSA-N 415.523 1.742 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1ccnn1 1770201696 BRDIKGGEOPLCPX-MPGHIAIKSA-N 404.450 1.126 30 10 HDEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1771499918 NIZMXSAETVMOLS-QLFBSQMISA-N 406.487 1.772 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1N(CCCN1CCOCC1)C(=O)C[C@@H]1CCOC1 1849413944 SBIAINXWAOVKOJ-INIZCTEOSA-N 402.451 1.948 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)c2nccc(N3CCOCC3)n2)CC1 1849879819 CPPUMYZJZBVADR-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE CN1C(=O)CC[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@H]1c1ccc(F)cc1 1851118355 YCLJOCNAYBUSPD-AZUAARDMSA-N 422.464 1.746 30 10 HDEE C=CCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)CC1 1851463627 LFJYQOBOUXEOAH-UHFFFAOYSA-N 423.535 1.050 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccco3)CC2)CC1 1852035785 VPSXNXQYQYVQHO-IBGZPJMESA-N 412.490 1.771 30 10 HDEE C[C@@H]1CC(=NC(=O)c2nccc(N3CCOCC3)n2)NN1c1ccc(Cl)cn1 1852049131 GOKJGPBIHSCHJD-GFCCVEGCSA-N 401.858 1.704 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1853333632 QTOIEFMAZGSZRO-QUCCMNQESA-N 413.474 1.216 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCCC2 1854288831 RAVIKMRUJPWPBG-GOSISDBHSA-N 409.490 1.561 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)ccn1 1856102337 IJDZKDBNJNTZTE-PMACEKPBSA-N 411.506 1.271 30 10 HDEE COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856107824 JEWUFXMPUPYSNT-UHFFFAOYSA-N 415.471 1.765 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)c3ccc(N4CCCCC4)nn3)C1=O)CC2 1856556966 QHDVQESCRTXQJP-FUHWJXTLSA-N 408.506 1.834 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)COc3ccc(F)cc3)C2)CC1 1857053213 JYUXNSUNBIYRPJ-OAHLLOKOSA-N 423.466 1.145 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112261 VBQSDKVINXZVAM-DNVCBOLYSA-N 406.442 1.611 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cnn4ccccc34)C2=O)C1 1857114324 LCWYPIPOPOOYIT-GOSISDBHSA-N 402.414 1.105 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1857489194 BLYSBJGMZCUTLO-CVEARBPZSA-N 424.523 1.080 30 10 HDEE N#Cc1ccccc1NC(=O)c1cc(=NCCc2ccc(S(N)(=O)=O)cc2)[nH]cn1 1858248841 MLLBJAOSNHCTJS-UHFFFAOYSA-N 422.470 1.324 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCC[C@H](C(=O)O)C2)cc1 1860634999 NJOGJEUFSBBMFN-KQPPXVQYSA-N 416.474 1.839 30 10 HDEE CN(C)Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCO 1870324367 IHLCLLJNJQIOBK-UHFFFAOYSA-N 416.503 1.342 30 10 HDEE N#Cc1ccc(COc2cn(Cc3cccnc3)c(CN3CC(O)C3)cc2=O)cc1 1870348659 GZHDPCMKMCJLKU-UHFFFAOYSA-N 402.454 1.919 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870538045 WVRGQEMWEZCJKB-IAGOWNOFSA-N 415.490 1.932 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871007442 CYTMWCOYLRCIMD-UHFFFAOYSA-N 408.458 1.260 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H](CS)C(=O)O)[C@](C)(C(F)(F)F)C1 1882726150 HZSKPAWOWQCYLY-ATEUNZGCSA-N 400.419 1.921 30 10 HDEE O=C(N[C@@H](CC[S@](=O)CC#CBr)C(=O)O)OCc1ccccc1 1883403559 WZOQGDAPSGIYOX-ZAMGYDSWSA-N 402.266 1.861 30 10 HDEE CC1(C)OB([C@@H]2CCCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 1965483086 XQEGTVCVPKAUAW-ZIAGYGMSSA-N 403.375 1.992 30 10 HDEE Cn1nc(CNC(=O)C#CCNC(=O)OC(C)(C)C)c(Br)c1Cl 1985076945 XXTQFGMOFQRRTF-UHFFFAOYSA-N 405.680 1.980 30 10 HDEE C#CCn1ncc(NCC2(NC(=O)OC(C)(C)C)COC2)c(Br)c1=O 2044005344 BWPUBJSOPOBXAL-UHFFFAOYSA-N 413.272 1.345 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCc2ncnn2C)C1=O 2069478575 POQRWUJHQIVXMW-CQSZACIVSA-N 420.470 1.273 30 10 HDEE CC(C)OCCCN=C(NC[C@@H]1COCCO1)N1CCN(c2ccccn2)CC1 2087917273 IJHQURPYFYYIMI-LJQANCHMSA-N 405.543 1.380 30 10 HDEE C#CCN(CC(F)(F)F)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2123465406 ATMMFAKSQQGGPB-NSHDSACASA-N 400.419 1.339 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)N1CCC[C@H](C#N)C1 2174787527 VEOQZDJCIFCRTG-GFCCVEGCSA-N 414.450 1.856 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CCS(C)(=O)=O 2186596003 XDRXVNNQXOJYCJ-NSHDSACASA-N 402.347 1.396 30 10 HDEE N#CCNC(=O)C(=O)Nc1ccc(Br)cc1I 2217205554 AIMZATACHGTHMO-UHFFFAOYSA-N 407.993 1.632 30 10 HDEE Cc1cnc(-n2nc([N+](=O)[O-])nc2Br)c(B2OC(C)(C)C(C)(C)O2)c1 2232284861 AESOHNCVNANICY-UHFFFAOYSA-N 410.037 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2243686011 GASZBUWLYJDHFB-HUUCEWRRSA-N 406.288 1.322 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247812998 ICQUCXBUIXPKAS-BETUJISGSA-N 420.319 1.742 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2nn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2247815658 DKXOJIUIACVKBE-UHFFFAOYSA-N 411.315 1.071 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056450 QTHMVQUWDGVLJS-UHFFFAOYSA-N 422.291 1.352 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248489452 YGNMKBLVXCXBHI-CQSZACIVSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC[C@@H](CN=c3[nH]c(Cl)c(C#N)s3)O2)C1 2264786134 OUSQIOSKVDOCAH-SNVBAGLBSA-N 400.888 1.907 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C1CNC1 2267709694 GKSQQGGISSCVDR-VIFPVBQESA-N 406.766 1.587 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(C[C@@H](C)C#N)C1CC1)NC(=O)OCc1ccccc1 2270518630 JJTHBCUHRXBVIO-WMLDXEAASA-N 423.491 1.408 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270531097 XWPLCOFAFPZROP-VJFUWPCTSA-N 422.503 1.566 30 10 HDEE C#CC1CC(NC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)(C(=O)O)C1 2281282534 ZTMUCSVMBHOFLL-YSKNWLSTSA-N 414.458 1.785 30 10 HDEE C[C@H](O)[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2281938441 NZZKOTFUXQQFQY-CMPLNLGQSA-N 401.721 1.923 30 10 HDEE CNC1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282311699 LQMQMEVAGQYTGO-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(CCN)C1 2282315314 MHYPPSUQVHIWBA-UHFFFAOYSA-N 400.375 1.761 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)CN1 2282338320 QJZOERDTPYFYAW-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340641 IJVUWRNZLCRTMS-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3[C@H](C2)C3(F)F)OC1(C)C 2282493442 TZJCOZZAGZDJEL-UWVGGRQHSA-N 406.285 1.469 30 10 HDEE CC(C)[C@@H](O)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282496340 ZDAXQDMOFKXUTD-ZDUSSCGKSA-N 404.363 1.269 30 10 HDEE Cc1nc(S(=O)(=O)NC[C@@H]2CCSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282511785 OXGAKTBJLMHDJK-LBPRGKRZSA-N 401.363 1.059 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282514353 BPXMEKVDRYAVLV-LBPRGKRZSA-N 417.383 1.607 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282603267 DBBFFLJQDZOXKC-NSHDSACASA-N 402.347 1.384 30 10 HDEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282646755 SGCHZGHJVIAFKV-MWLCHTKSSA-N 419.761 1.864 30 10 HDEE CC(C)COCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836429 JZIGIPZVJGFDQW-UHFFFAOYSA-N 404.363 1.534 30 10 HDEE C=C(CS(=O)(=O)N(C)C[C@H]1CCCCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2282866097 DFHVQLVAUQTSMW-CQSZACIVSA-N 407.363 1.403 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C(=O)O 2284395635 NPYHNXFOIMUKRN-ZWNOBZJWSA-N 401.315 1.531 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NO[C@@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284395919 ABOMCTAFFAUWQA-QMMMGPOBSA-N 405.303 1.347 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402428 JCHGRHRPNLFBKZ-CMPLNLGQSA-N 403.331 1.825 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC(=O)O 2284403568 RASITHRLWXAPKD-NSHDSACASA-N 403.331 1.827 30 10 HDEE C[C@H](CCCC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284413071 GMVFYSVGKHWVJV-LLVKDONJSA-N 403.331 1.969 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CC[C@H]2N)c1B1OC(C)(C)C(C)(C)O1 2287577713 BEZWYRASERYTMQ-CHWSQXEVSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@@H]4CCO[C@@H]43)cc2Cl)OC1(C)C 2334268425 HYISSTKSSCOAPL-UWJYBYFXSA-N 405.734 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@@H]2OCCC[C@@H]21 2359725606 YTHUIPCPEKHDCC-YEGJMSHXSA-N 402.513 1.727 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240468 FVWAOPFQPZLFQE-FZKQIMNGSA-N 403.497 1.730 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2367807351 SIBBEYFQBGCNHE-PMPSAXMXSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCC[C@@H](NC(=O)OC(C)(C)C)C1 2367814658 BQOTYNBFSRZHMU-SPYBWZPUSA-N 400.541 1.353 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367830787 LVDAIKVRCHZVBS-HUUCEWRRSA-N 402.557 1.457 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC)c(OC)c2)n1 22628867 IIQFBBULOMQGQX-UHFFFAOYSA-N 418.475 1.363 30 10 HDEE C/C(Cl)=C/Cn1c(N/N=C\c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C 33909833 PPTYIGKHTOOGDJ-SXWKSSHOSA-N 417.813 1.920 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CC2)c1 45079557 PLQSCGXODBZKBM-GOSISDBHSA-N 405.458 1.612 30 10 HDEE O=C(NCC#Cc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96343697 KUNQVYLGPUBFJR-UHFFFAOYSA-N 402.447 1.628 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 96546423 WSJZGILPRKGYSV-UTKZUKDTSA-N 401.463 1.704 30 10 HDEE C#CCN1C(=O)[C@@H]2[C@H](c3ccccc3OC)N[C@@](CCSC)(C(=O)O)[C@@H]2C1=O 248266022 ZFCJKAKCDHQZOD-ZKNHNOBHSA-N 402.472 1.150 30 10 HDEE CCOc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 252595830 CDWZPXZBNWWKOQ-UHFFFAOYSA-N 413.482 1.390 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 446503383 AZAZYOLRRAFSBM-AQFXKWCLSA-N 421.523 1.366 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 448372201 BKSKUTIFKCEQLV-UHFFFAOYSA-N 410.540 1.804 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4nc5ccccn5c4C#N)CC3)C2=O)n(C)n1 472487496 PJMOVHUJSUZOLU-QGZVFWFLSA-N 418.505 1.566 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)cc1 473372503 NAKNKHMMXYAIQG-UHFFFAOYSA-N 410.459 1.771 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 477257055 FZSATIRPBDWREU-LBPRGKRZSA-N 407.452 1.241 30 10 HDEE CN(C)S(=O)(=O)CCCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 480749393 JWOZHIDQMLVZIL-UHFFFAOYSA-N 415.537 1.013 30 10 HDEE CCc1nc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 482006679 INARYKZROLHNDB-CYBMUJFWSA-N 416.507 1.312 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)cn1C 501882972 VTIFXUFEIKEMSX-IBGZPJMESA-N 415.519 1.298 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)Nc1ccccc1F 506908760 NIVGBKIPYMLGJS-UHFFFAOYSA-N 402.411 1.473 30 10 HDEE Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 508486001 ZNFJTLVBRLCTCH-UHFFFAOYSA-N 405.462 1.808 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 512275352 SGUTZPRQXZHUPW-INIZCTEOSA-N 419.547 1.872 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 526121878 CIRDLPDKGFFMRW-UHFFFAOYSA-N 414.487 1.650 30 10 HDEE Cn1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc2c(=O)n3ccccc3nc21 527133717 XNZHKEMOSUKQAW-UHFFFAOYSA-N 413.441 1.415 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 539018519 LXBMDTDNYQPIRW-GOSISDBHSA-N 405.462 1.890 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC)CC1 555060290 YBCHJCXVYSXKPK-UHFFFAOYSA-N 412.538 1.918 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(-c2cccc(C#N)c2)no1 583123457 POLBBORAAHXUKS-LMSBXDPUSA-N 409.398 1.778 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)NCC1CCN(c2nccnc2C#N)CC1 585227154 OFJVDWOZAPKUDV-UHFFFAOYSA-N 405.455 1.691 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 614711288 QCBLNGZCJINPGJ-UHFFFAOYSA-N 414.510 1.201 30 10 HDEE COC(=O)Nc1ccc(CNC(=O)CN2CCN(c3ncccc3C#N)CC2)cc1 725795291 GTPMGOLBHXTMEK-UHFFFAOYSA-N 408.462 1.570 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 729334842 WOIWBYDHBQYTSG-IEBWSBKVSA-N 417.531 1.888 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 730097780 KLTIESHPKIHEJW-NXHRZFHOSA-N 419.503 1.637 30 10 HDEE CC1CCC(N2C[C@@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)CC1 731410056 INRRAUIOIFRMGK-GMXGEUMGSA-N 403.504 1.931 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732650618 ZTBHKHZDXSPIMO-SFHVURJKSA-N 402.520 1.674 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O 734292218 GCPCLHPQCJLLKF-UHFFFAOYSA-N 419.484 1.308 30 10 HDEE COC(=O)[C@H](OC(=O)Cn1cc(Br)ccc1=O)c1ccc(C#N)cc1 740215088 RCTDCFJILDQKJY-MRXNPFEDSA-N 405.204 1.940 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 746214427 BXWHRVQMHOFESY-RMYFCYLKSA-N 418.450 1.582 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CCN3CCOCC3)cc2)cc1C#N 747497506 FARHPGMXOLUUKM-UHFFFAOYSA-N 422.485 1.696 30 10 HDEE CCOC(=O)[C@H](CC1CC1)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 752727203 VSTUIXWKEJOJFG-DOMZBBRYSA-N 407.492 1.352 30 10 HDEE N#Cc1ccc(OCCNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 755175664 VQYKSMAPYICZSJ-UHFFFAOYSA-N 420.413 1.550 30 10 HDEE C#CCN(CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C1CCCC1 756912281 ONUQNNJARYQFMK-UHFFFAOYSA-N 423.517 1.810 30 10 HDEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@H](C)O2)n1ccc(=[N+](C)C)cc1 759050897 MZIROVYMYCNLGE-AWEZNQCLSA-O 423.518 1.673 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1C#N 760309548 JRUBEEMJAYTNTG-UHFFFAOYSA-N 415.397 1.979 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCn2c(C(C)C)nnc2[C@@H]1C)c1cc[nH]n1 772640019 JMXPXOBUZMSYNK-LBPRGKRZSA-N 403.443 1.012 30 10 HDEE C#CCN(C(=O)NC[C@@H](Cc1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 774171523 PPDPQFYPEMYQNB-VQTJNVASSA-N 405.564 1.771 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780863681 XZIMVIJSGBZBMK-FQEVSTJZSA-N 413.499 1.870 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)/C=C/c2ccc(F)cc2)c1C#N 783601937 YXOYSDQEGJRBBC-PKNBQFBNSA-N 405.455 1.912 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)CCc2ccc3c(c2)CCO3)n1 788695353 JRBVFKUMPAALOK-UHFFFAOYSA-N 403.504 1.472 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)[C@H](C#N)c2nccc3ccccc23)n(C)c1=O 792101973 CWAZKAOKRMHRSS-HNNXBMFYSA-N 402.414 1.248 30 10 HDEE C#C[C@@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1F 796082981 ASPUIBZETMHFSF-MRXNPFEDSA-N 422.931 1.744 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOC)CC1 802509431 KSZXSLGHGHJQEA-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C[C@H]1CCN(C(=O)NCCNc2ccc(C#N)cn2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 804960066 RAOZWFJNVKAALV-HUBLWGQQSA-N 412.416 1.852 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807929579 KWNFUZXKXLDSGU-ZBFHGGJFSA-N 423.560 1.887 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1)c1ccc(Cl)cc1 810469952 BUXHAWLVRDIGLZ-HNNXBMFYSA-N 423.853 1.816 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918640220 RBQYLSKCEKBWJY-UHFFFAOYSA-N 415.471 1.317 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)nn1 1129930519 JRTCMESVKUSGGK-UHFFFAOYSA-N 406.240 1.268 30 10 HDEE C#CC[C@H](COC)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1131718362 QGHGPFPKNGZCHT-OAHLLOKOSA-N 406.280 1.675 30 10 HDEE CN1C(=O)Cc2cc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccc21 1134910430 GKOLYHSTSNCKAR-UHFFFAOYSA-N 412.471 1.327 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCN3CSCCSC3)C2=O)cc1 1139811258 IPPKODQBWBSTDO-KRWDZBQOSA-N 404.561 1.862 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1141971916 VHAAHTDPYWXRJN-HUUCEWRRSA-N 413.293 1.278 30 10 HDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1150960949 JYKHZBNUBFJPOB-SFHVURJKSA-N 423.554 1.930 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1157103199 WMGBVGGLYXNZHU-CYBMUJFWSA-N 408.476 1.733 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1158447998 OILOPADAICKLNU-UHFFFAOYSA-N 418.471 1.311 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)CCCN1C(=O)OC(C)(C)C 1158853226 UAGMZCZNBLBNMA-QVKFZJNVSA-N 415.494 1.990 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)O[C@](C)(C(F)F)C2)cc1S(=O)(=O)NCC#N 1167337893 GDGFNJIBSTWEOZ-PXAZEXFGSA-N 401.435 1.682 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](CN4CCCC4=O)C3)ccc2c1=O 1167346982 XBCOUAUQXLPATQ-CQSZACIVSA-N 412.515 1.956 30 10 HDEE COC(=O)C[C@](C)(NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1174656137 KPDSZJARMHJJFF-BLVKFPJESA-N 407.492 1.352 30 10 HDEE CC(C)(C)N1CCC[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1184283511 MQPBZHOHLQUIET-INIZCTEOSA-N 401.463 1.928 30 10 HDEE C=CCc1cc(CNC(=O)N2CCOC[C@@H]2CNC(=O)NC)cc(OC)c1OC 1221553889 WAKMHYXKIOCKLL-INIZCTEOSA-N 406.483 1.272 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(N(C)C)CCOCC1 1286376444 LFHOOIFZVNBTKW-LJQANCHMSA-N 411.506 1.971 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286398525 KPQYQABGRTVDNM-WNRNVDISSA-N 422.551 1.429 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1c(CC)nn(C)c1OC 1286462600 OKWKULRBXNMKJJ-UHFFFAOYSA-N 410.482 1.174 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1286471622 OXYFOOBFOFHOFY-QZTJIDSGSA-N 402.543 1.330 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(CCOC)CC2)CC1 1286485313 YMPVAGBIYCUYLA-UHFFFAOYSA-N 411.554 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCN(CC)C2)CC1 1286493482 CGUJAHPUONMYHC-QGZVFWFLSA-N 402.543 1.122 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286525034 HVLDXVMMSYXWKI-WYADAEROSA-N 414.554 1.721 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286629485 QOKWRZYZUBLRNC-HRCADAONSA-N 411.934 1.902 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)CC1 1286652710 JMBITKRACBLBGQ-UHFFFAOYSA-N 412.494 1.869 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCOC2)CCOC1 1288321235 GYZQRGQJEHTSJZ-MBOZVWFJSA-N 405.499 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1300281320 JBBRVULSTNHZPJ-OAHLLOKOSA-N 400.508 1.602 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300499800 XEKDOXSQFMCWNJ-MOPGFXCFSA-N 421.611 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CN(CC(C)C)CCO1 1300665112 XTOZLOULBZTQSG-GOSISDBHSA-N 413.526 1.178 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301043980 AOGKGPWENJDFGR-OAHLLOKOSA-N 424.958 1.782 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1301502292 FTGAJNTTWZMXKH-UHFFFAOYSA-N 404.559 1.910 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCOC2)C1 1301567363 VXSWGXCTAMEWAC-QFBILLFUSA-N 405.524 1.567 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2nc(C#N)cs2)c1 1304187640 SONUOPMVNUVLFT-UHFFFAOYSA-N 414.896 1.523 30 10 HDEE C#CC1(O)CN(CC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)C1 1308136515 MAWIHDIBVGSKJJ-UHFFFAOYSA-N 419.547 1.703 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1315067868 RKGTXKXOLRVEAW-HOTGVXAUSA-N 400.508 1.601 30 10 HDEE COCC1(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1315841125 WLQYUPDOKJBDCO-KRWDZBQOSA-N 416.526 1.726 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1323756690 LYTJQIQITZEXAW-UXLLHSPISA-N 414.911 1.267 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCc1n[nH]c(C)n1 1358940843 OJVPKHBSZBLJND-UHFFFAOYSA-N 403.288 1.785 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1358962193 MASYNSYTPHBACW-BZUAXINKSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cn2ccccc2n1 1358970213 IMRIOPFHAOTPQW-QHCPKHFHSA-N 418.501 1.893 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1CCN(CC)CC1 1358981043 UFBRXUAGSRDBOH-UHFFFAOYSA-N 405.550 1.364 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)CC1 1359035343 RBPUISPNNKJYEZ-LJQANCHMSA-N 424.505 1.072 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CCS(C)(=O)=O)C1CC1 1359057192 UWVBKPYWIBMPJK-INIZCTEOSA-N 412.581 1.900 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1359121708 FJZYOIMTWUUJLI-KBPBESRZSA-N 424.527 1.873 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359308943 CULOAEIGACDYSF-KRWDZBQOSA-N 419.551 1.965 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccco2)C1 1359325118 YSHXTLXAIDUSGA-HRAATJIYSA-N 415.494 1.683 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1359599056 XYVHMGWADPHYSC-DLBZAZTESA-N 410.478 1.234 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCC2)CCOC1 1360339178 RROOJJRFGAZSRR-VQTJNVASSA-N 406.506 1.856 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1 1438602511 OYGPQKWGXHFBRH-OAHLLOKOSA-N 422.279 1.969 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)NCc2ccc(SC)c(C#N)c2)[C@H]1c1ccnn1C 1439245891 JVPHRQJGCZHVTJ-MOPGFXCFSA-N 413.503 1.618 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)COc1ccc(F)cc1F)c1cc[nH]n1 1442226281 RKWOTARVXVTZQS-NSHDSACASA-N 410.377 1.555 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 1452938198 UUJXWNVHUJNLEN-UHFFFAOYSA-N 403.460 1.299 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@H]1CS(N)(=O)=O 1454444309 BPBWXYJANZFWAV-NSHDSACASA-N 416.297 1.369 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1455207170 ZBOYHCDYSGUWBV-PKOBYXMFSA-N 408.520 1.876 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)cnc21 1456064093 OIIFBJCPERYQQL-AWEZNQCLSA-N 405.418 1.017 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)cc1S(=O)(=O)NCC#N 1456503112 DGCWWWCKHNLRCL-RDJZCZTQSA-N 407.492 1.065 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)c1 1456853332 JIQVGLPNJQETLW-OAHLLOKOSA-N 416.459 1.080 30 10 HDEE C[C@@H]1Oc2ccccc2N(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1457999300 GKJKOCWTUOQZEM-AWEZNQCLSA-N 423.425 1.705 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1[nH]nnc1C(=O)N1CCCC1 1460347175 UBAPBATZDORYFX-UHFFFAOYSA-N 403.240 1.856 30 10 HDEE CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1463812565 SMYFUDBBNAFVMZ-HNNXBMFYSA-N 413.496 1.505 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCn3ncnc32)cc1 1464269039 LGJJJVTVSYQPSZ-JZRFMTABSA-N 402.480 1.607 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1 1466160606 WQTMQOMQLKUQEL-UHFFFAOYSA-N 401.419 1.072 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1466208910 RUKIBJNIDSBPJO-MRXNPFEDSA-N 407.426 1.867 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(N3CCOCC3)C2)nnc1-c1ccco1 1469682449 DMNYHMVKSBRDKF-UHFFFAOYSA-N 403.508 1.749 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CCCCC1 1470194776 XNCXWCRDLPTNGK-GVDBMIGSSA-N 409.552 1.686 30 10 HDEE COC(=O)[C@H]1CSCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1473801223 HBJSSHBURFEUSR-LSDHHAIUSA-N 408.549 1.047 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1478320967 VEGHGLHNFLWLRT-HNNXBMFYSA-N 413.540 1.608 30 10 HDEE C#CCC1(C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1500497705 KINLAPNFGYYYPK-ROMHJBHXSA-N 402.535 1.877 30 10 HDEE CCN1CCN(CCCCn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)CC1 1502352926 SCZSUGFEWJBBFB-LJQANCHMSA-N 401.559 1.377 30 10 HDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1504801387 HLOBNDZQCXMYCA-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCOC[C@H]1C 1504888400 QAFYOPSVSLIOEH-QZTJIDSGSA-N 406.531 1.259 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1505323305 FGZYJCKMPXAGEK-HUUCEWRRSA-N 407.521 1.094 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CC(F)(F)Br)CCO1 1505326334 XWUWPGKZLWMUAW-LBPRGKRZSA-N 413.226 1.980 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507573495 GYVRMSVQHLFQJP-GOSISDBHSA-N 402.543 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)F 1507654488 IHXIOKNSOJTEFC-UHFFFAOYSA-N 401.417 1.620 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1 1507711767 ZGXKNHFCQYUMFK-GOSISDBHSA-N 402.520 1.623 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnn(C)c2)CC1 1507725864 BRNBWCHFHIQIGU-UHFFFAOYSA-N 405.506 1.437 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1507820867 OQJKKBGTFSKHDD-GOSISDBHSA-N 423.583 1.841 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1)C1CC1 1507989036 XGLQEOZHEJLSSE-LEWJYISDSA-N 405.543 1.540 30 10 HDEE C=CCn1cc(C(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)nn1 1525050440 XVMLMCXHZKYWMV-UHFFFAOYSA-N 401.492 1.842 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1535347482 UOKURQJPHUHUIY-DAYGRLMNSA-N 424.519 1.722 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1539012334 FSJWZQMTRWNTHN-CABCVRRESA-N 412.581 1.550 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1539203533 RRPUQECPHBWXAD-LPHOPBHVSA-N 422.576 1.997 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1539368968 FXGIAOSIIZEFII-MBOZVWFJSA-N 422.551 1.368 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOC(C)(C)C 1539405532 CINZZNGFVRHVJC-UHFFFAOYSA-N 424.509 1.822 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CSCCS2)CC1 1539444854 WLAIWOYKDIRVEF-INIZCTEOSA-N 403.581 1.282 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCC[C@@H]1C 1539538318 FQUBBXRFHROHLU-SAKMYQHLSA-N 409.556 1.432 30 10 HDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1539953336 IAGVQIZQSFMBIU-UHFFFAOYSA-N 417.535 1.983 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1540074335 XXBITULCCATPPK-IAGOWNOFSA-N 411.572 1.039 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)COc2cccc(Br)c2C#N)C1=O 1540235538 QMQLYVZFBHAWKT-UHFFFAOYSA-N 423.267 1.536 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCCOC2)C1 1540863475 XDOVEPBLDGGZTC-UZLBHIALSA-N 407.515 1.311 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1540878310 TXWTVQUGHOQALU-WMLDXEAASA-N 412.494 1.542 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1540918809 YPWFXLYDNNTNIX-UHFFFAOYSA-N 416.551 1.478 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)nc1 1543449995 PXJFBRDOYZYOJK-GOSISDBHSA-N 409.446 1.519 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1545628376 KZVIQZHBHFAMDR-OTSFIGDKSA-N 415.498 1.238 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1545696547 RAQKVQPPWLOKAY-UONOGXRCSA-N 415.498 1.906 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1554129189 ZBJQPYOIFGTNER-UHFFFAOYSA-N 423.521 1.694 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)c2C1 1557243072 KOHXAEZEFUANTO-QUCCMNQESA-N 420.517 1.804 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)CCOC1 1557559363 OJADALIGGXTQCB-IBGZPJMESA-N 410.392 1.533 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1558066855 YNWHFQQHDITLME-NYYVXDNCSA-N 418.494 1.807 30 10 HDEE CC(C)(C)c1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(O)n1 1559023864 LXPCKGSNMFPZKC-UHFFFAOYSA-N 402.476 1.551 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1559842804 CZWAOFZLFJTMPS-OHQAAIJDSA-N 423.535 1.356 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CCO1 1561580983 BILCHVHRSUHHSV-HIFRSBDPSA-N 400.298 1.708 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2=O)cc1 1564547220 JEJHFYSSAHAVDQ-OALUTQOASA-N 412.490 1.939 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccncc1 1565634437 UCHMKQGKWSEBMQ-CQSZACIVSA-N 419.434 1.280 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(N3CCOCC3)c2)c1 1569746442 CPFIVFAVLPIIIY-UHFFFAOYSA-N 417.462 1.890 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 1570695396 RILIVVGMPZGUEK-ZDUSSCGKSA-N 401.160 1.690 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCN(c2ccc3nncn3n2)C1 1587429117 NSBNQPIEMFYZQR-HNNXBMFYSA-N 400.364 1.890 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1587569381 XHIMRHIMOGFXED-HRAATJIYSA-N 405.543 1.939 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cccn1 1587599199 LBXIHABOFUNILR-INIZCTEOSA-N 402.466 1.666 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1588065311 WOZGPLYSJRIELZ-OALUTQOASA-N 419.595 1.732 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCN2CCO[C@H]1C2 1588135024 YZFHYOMVLBKDTN-QGTPRVQTSA-N 402.882 1.496 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1588386969 QZWBDEXWNMPLAC-IAGOWNOFSA-N 416.551 1.722 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1NC(=O)CC1(C)C 1588673168 MJWYKTNFUOUTMW-INIZCTEOSA-N 416.551 1.635 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CSCCS2)CC1 1588811665 LSMITCGGBCRDAF-IRXDYDNUSA-N 407.609 1.776 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2nccs2)CC1 1588865394 WOZAJMXDKVVXBL-MRXNPFEDSA-N 413.551 1.416 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2nnc3n2CCCCC3)CC1 1588946743 HYOYFEYGSWZSLY-UHFFFAOYSA-N 424.553 1.367 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1589059758 JNEVCPUZVUBXTC-KRWDZBQOSA-N 423.608 1.916 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1594783960 MUCACDFSIHMVNP-IAGOWNOFSA-N 407.515 1.393 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1594838967 ATARQJAUKZGOAK-UHFFFAOYSA-N 402.474 1.916 30 10 HDEE Cn1cnnc1[C@H]1CCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1598414971 VFODRMGGVOLOGM-HZPDHXFCSA-N 407.434 1.255 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@@H]2C)CCOC1 1616185340 IBDXXFZGHXRJRF-LAUBAEHRSA-N 418.542 1.391 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1618125797 BGHHHHAQBDFGCA-AWEZNQCLSA-N 404.421 1.671 30 10 HDEE C#CCN(CC(=O)NCCN(C)S(=O)(=O)c1cccs1)C(=O)OC(C)(C)C 1623392164 ZVOUNLNKJDASFH-UHFFFAOYSA-N 415.537 1.355 30 10 HDEE COc1ccc(NS(C)(=O)=O)cc1NC(=O)CNC(=O)c1ccc(C#N)cc1 1624675540 HIRXCBLINRPRMT-UHFFFAOYSA-N 402.432 1.307 30 10 HDEE N#C[C@@]12CN(C(=O)CCCNC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1626655735 KKHYVTLJEMFNQM-LPHOPBHVSA-N 405.476 1.090 30 10 HDEE CC(C)C[C@H]1CN(C)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626655946 NXGNUBCAGOSHPH-RBUKOAKNSA-N 411.506 1.952 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2)c(=O)nc1O 1627067850 GPHYTKOPMZOPJL-UHFFFAOYSA-N 415.409 1.662 30 10 HDEE COc1ccc(C(=O)N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)c2ccccc12 1628366014 ADPBSIRIRVGHAF-GOSISDBHSA-N 411.458 1.807 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1OC 1628662415 LDCANUJEKUNIDQ-MRXNPFEDSA-N 403.460 1.281 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)ccc21 1631331389 XKPLOFFCKRLIBU-SFHVURJKSA-N 417.469 1.932 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1632078992 UVIISTMKKZNFLB-GJZGRUSLSA-N 414.911 1.301 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@](C)(CO)Cc1ccc(Cl)cc1)c1cc[nH]n1 1632450007 FFTIGLOXHXLJJM-LJQANCHMSA-N 422.869 1.457 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccccc3[C@@H]2CO)s1 1633091613 SJBLNMCKCKDIOI-KRWDZBQOSA-N 406.529 1.873 30 10 HDEE C=C(C)C[C@@H](NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1633297465 RPLOYZDLEHMVOQ-QWHCGFSZSA-N 417.915 1.806 30 10 HDEE Cc1cc(S(N)(=O)=O)c(C)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1634184610 JGOUMNBABHXTOZ-OAHLLOKOSA-N 412.471 1.814 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)C1 1634555285 UTMKSKIVHWBVDG-KRWDZBQOSA-N 407.536 1.553 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccnc(C#N)c3)c2)C[C@@H](C)O1 1635744317 CBLBOBNJLNQZRE-HUUCEWRRSA-N 414.487 1.681 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)C2)c(=O)nc1O 1637324802 SOOUASMOHVDZIR-UHFFFAOYSA-N 417.429 1.148 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)C1 1638393374 ZTRFHGHCBDZDMC-VQTJNVASSA-N 412.534 1.714 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Nc2ncccn2)C1 1638962040 RKYJLJFBYFFPDL-CQSZACIVSA-N 414.491 1.008 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@H]1CCOC1)C(F)(F)F 1639956801 UOQHVLCQUJYQSX-XHDPSFHLSA-N 419.425 1.589 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)c[nH]1 1640062146 IMSBAWWGKJHVAI-YPMHNXCESA-N 414.384 1.880 30 10 HDEE N#Cc1cccc(C2(NC(=O)COCC(=O)NCc3cccnc3)CCOCC2)c1 1640719318 MXISQTBZQDRMMO-UHFFFAOYSA-N 408.458 1.408 30 10 HDEE Cc1cc(C#N)cc(C)c1Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21 1640732348 YFAPOJMESPGGOH-UHFFFAOYSA-N 402.252 1.733 30 10 HDEE Cc1cc(F)cc2c1S(=O)(=O)N(CC#CCN1C(=O)c3ccccc3C1=O)C2=O 1641115609 KXGJMIRUYJUXMH-UHFFFAOYSA-N 412.398 1.578 30 10 HDEE Cc1ccc(C(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)cc1S(=O)(=O)NCC#N 1642318891 WKYSZOPDHOYZJX-GOSISDBHSA-N 424.486 1.777 30 10 HDEE C[C@]1(C(F)F)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1643905451 PVOXJAVWBHDNSO-FXAWDEMLSA-N 410.440 1.891 30 10 HDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1644458192 JZRATORPWFYYBA-KRWDZBQOSA-N 422.503 1.480 30 10 HDEE C#CCOCCN(C)C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1648264422 MTWLNDMOLLSMCR-UHFFFAOYSA-N 413.515 1.856 30 10 HDEE N#CCSc1cccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1648279854 PIFUZTSDVVAUMR-FVRSWCFKSA-N 407.517 1.243 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1C#N 1653759740 IJPFZLJOOVTYGZ-UHFFFAOYSA-N 408.443 1.384 30 10 HDEE COc1ccc(CN(C)C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1F 1656344783 ZDOCNPGDQKBUSO-ZUEVXXBESA-N 409.483 1.051 30 10 HDEE COC(=O)c1cc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n(C)n1 1673479259 GMSLHZNDEGBGCJ-UHFFFAOYSA-N 419.445 1.981 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)C(C)C 1675964397 PDMXDZPXHZYDKH-DENIHFKCSA-N 422.570 1.344 30 10 HDEE C=CCN1CCC(NC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1677128132 ACYDLQMJBPHGFT-MRXNPFEDSA-N 406.502 1.689 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)C2 1683589461 CSSZTAXRWCOLPA-IBGZPJMESA-N 410.499 1.742 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(F)cc1 1683664524 PZONPVRLZBDYSU-ZWKOTPCHSA-N 409.483 1.336 30 10 HDEE CSc1ccc(CNC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cc1C#N 1687594722 HGBNUBULKPSSNK-INIZCTEOSA-N 408.549 1.990 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@](O)(c1ccccc1)C(F)(F)F 1689943678 ZIRXSZCIUDPPDW-SFHVURJKSA-N 409.412 1.936 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689988815 WSMUKEZMUWLBNG-MSOLQXFVSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1689997071 VGQAREPYOOXFJX-KRWDZBQOSA-N 416.551 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1cccc(CN2CCOCC2)c1 1690028275 QCVCBVREXVZYJD-UHFFFAOYSA-N 407.518 1.768 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2ccnc21 1690030213 QJMFLJJGATXIQF-SFHVURJKSA-N 405.506 1.751 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCN1CCC 1690092434 IEGHOBJCMQMNCU-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1690299427 QWZOUDDCRUAICV-UHFFFAOYSA-N 404.515 1.069 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690451315 CZIDPQCXXJYXFS-CVEARBPZSA-N 409.494 1.997 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690464557 FGAMMYBYEQBMCO-LSDHHAIUSA-N 416.569 1.160 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690666883 JIYMORPYLZRGLQ-APWZRJJASA-N 405.506 1.792 30 10 HDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)CC 1690674844 HHIOQMIVRXWMMT-UHFFFAOYSA-N 411.554 1.401 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1690677296 UACYBLGKKLAHTG-UXHICEINSA-N 402.499 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)CC 1690724679 UHTMSOXFJOIKDK-HUUCEWRRSA-N 418.585 1.263 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CC(F)C2)n1Cc1ccc(C#N)o1 1692811539 GGMQJCIVEYQLPU-HIFPTAJRSA-N 410.475 1.586 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1705480988 XRTVPDDAHLGONJ-LBPRGKRZSA-N 407.316 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705490266 GJPDPCMKUCHIEK-OYHNWAKOSA-N 422.489 1.455 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1705504251 QZBOSGCURAIGID-FYQPLNBISA-N 419.570 1.817 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705518836 RZYUIHHMHNTXPV-UHFFFAOYSA-N 416.551 1.539 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705532710 DUHBFZOIBRBMKD-QZTJIDSGSA-N 411.510 1.361 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1705553098 TUHIIOYDOOWBNJ-FXAWDEMLSA-N 405.568 1.449 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1705583364 WRNBBZYRFNXSAV-HUUCEWRRSA-N 410.590 1.102 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C)n1 1705588294 BKMMLIJTSJETAC-AWEZNQCLSA-N 420.564 1.359 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C(C)C)N1CCOCC1 1705627168 XLUKMZBWJLZGPO-IBGZPJMESA-N 413.526 1.178 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC=C)C1 1705662335 WHGMRFDYXNEUTH-HZPDHXFCSA-N 410.565 1.328 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1705733395 SDBBKVUTCLIPST-UHFFFAOYSA-N 417.485 1.972 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1705736816 DKOYHPHFOOHZCZ-GOSISDBHSA-N 401.515 1.883 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC[C@H]2C)C1 1705926806 KYUKHPWDRPXGKW-UYAOXDASSA-N 412.538 1.766 30 10 HDEE Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1707576375 DPRSJJRTFKNSAF-CVEARBPZSA-N 423.477 1.214 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1711982895 VCHJHJNVQOINFB-QGZVFWFLSA-N 401.467 1.005 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712171049 BEFDUDNBLMKFKR-INIZCTEOSA-N 423.456 1.313 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1CCN(C(C)=O)CC1 1712454352 MVQQZXVMWANWBV-LJQANCHMSA-N 418.542 1.797 30 10 HDEE C#CCCCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1718299215 MSCWCCNPRXWXMG-HLXOMJDXSA-N 400.519 1.823 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722364819 AZSSANPTXOXOMG-SQNIBIBYSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722371876 ZIHZFTUKPHMVAT-ZWKOTPCHSA-N 423.583 1.488 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722464637 MMTKXMZTUPIYPD-JZXOWHBKSA-N 419.551 1.180 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1723074724 ATLRWTWMJYXDGQ-UHFFFAOYSA-N 415.542 1.693 30 10 HDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1726584783 GPAOGIWJINCAAN-FUHWJXTLSA-N 423.521 1.525 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729720995 DGICEBGCXLIIPM-INIZCTEOSA-N 411.466 1.191 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740576221 SOQSYEMNVVQZNG-ZWKOTPCHSA-N 423.583 1.741 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC)cc1 1740610320 WXMBGLADMRFFCI-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740622923 LAXDZMIRIAPNKH-GOSISDBHSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N(C)CC)CC1 1740699539 KWADAKQVQSOYRJ-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OCC(N)=O)CC1 1740817525 JAGXDPLXYGAGLQ-BBRMVZONSA-N 413.906 1.225 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1740931066 YJZOUYZNONSCTM-SFHVURJKSA-N 423.521 1.688 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1740932222 JQTNXKWWKLRGCD-KRWDZBQOSA-N 423.583 1.469 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740957641 VNKFVASLVYTRKA-GOSISDBHSA-N 424.509 1.380 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740995248 FUAVJAOLVCIZRG-IAGOWNOFSA-N 424.567 1.862 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1744755850 GFNUXTPJTHIXQW-KRWDZBQOSA-N 414.535 1.647 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1748821650 RZTPAFDYMILEDX-IBGZPJMESA-N 416.547 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC(=O)N(C)C)CC1 1748977739 BBCKGPVPQNMXMN-UHFFFAOYSA-N 418.448 1.390 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCNC(=O)C(C)C)CC1 1749009339 IGNVWFHUWWZSDM-UHFFFAOYSA-N 400.527 1.284 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C(=O)COC)CC2)nnc1C(C)(C)C 1749141033 WOKOSGMSXCRWLU-WMZOPIPTSA-N 405.543 1.852 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749229984 SDZWWXGQYOVPCA-OALUTQOASA-N 405.543 1.533 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@@H](C)O1 1749554232 CCFABDUKRAEWFA-BEFAXECRSA-N 424.505 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749732534 YKPTZMQHGDILGQ-AEFFLSMTSA-N 423.583 1.303 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1750070235 RKJFNVDADZFNIT-GFCCVEGCSA-N 420.495 1.179 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1750179063 AMNCOXPUTXZWTL-PMACEKPBSA-N 410.522 1.889 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1750633419 SJALKHUJJZRYON-UHFFFAOYSA-N 405.409 1.318 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1760102403 JPQKBHBNRXXZOU-AWEZNQCLSA-N 403.508 1.178 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@@H]1C 1760214636 WNSBYCBUSKTACE-UZUQRXQVSA-N 422.485 1.719 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCSCCCO)CC1 1760257898 LQUSSAZTOSBCES-UHFFFAOYSA-N 415.563 1.825 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1760260118 WCAHQLDNPOIJEB-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCN(CCC)C2)CC1 1760272863 BAVPOWZOJVTXHG-SFHVURJKSA-N 416.570 1.512 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760438769 NFRBCQBHMANZBK-ZWKOTPCHSA-N 413.526 1.914 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2O)C1 1760445548 NKOOUAJXJACIIC-UHFFFAOYSA-N 412.494 1.770 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760529877 IAZSJFAQQAGOON-CABCVRRESA-N 418.523 1.775 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCOC2)C1 1760549332 BQRVIJYQSSHDTL-YLJYHZDGSA-N 402.499 1.072 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](COCC)C1 1760554066 QHYOGEHDLCBJBH-INIZCTEOSA-N 420.539 1.589 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1760688310 FQPHJWBGKBEYEC-WDEREUQCSA-N 412.438 1.411 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1760932510 XZGKSFMLKUBBAF-UHFFFAOYSA-N 403.512 1.039 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1762690886 ICGMWHUUPRSVHJ-CZUORRHYSA-N 416.432 1.908 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C)(C#N)CC1 1766717073 LLWLFOUDCYAGQK-MRXNPFEDSA-N 424.571 1.979 30 10 HDEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1769015467 CLQOPBUWNPNDTK-SFHVURJKSA-N 404.434 1.239 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)nc1 1769847639 XEVJSVGLIDJWSO-UHFFFAOYSA-N 417.901 1.864 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1771268279 IKSOPMHAYMXAFT-QFIPXVFZSA-N 424.505 1.729 30 10 HDEE Cc1nccn1-c1cc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)ncn1 1849243983 RHKOFPLUSKNODI-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE O=C(C1CCN(Cc2cnc[nH]2)CC1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852157284 JEFXQGPRJMHIMJ-UHFFFAOYSA-N 421.445 1.882 30 10 HDEE CN(C)c1ccnc(N(C(=O)CN2CCOCC2)c2ccc([N+](=O)[O-])cc2)c1C#N 1852411562 CCDRANIKOHOTFJ-UHFFFAOYSA-N 410.434 1.924 30 10 HDEE N#Cc1ccc([C@@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)N2Cc3ccccc3C2=O)cc1 1852784588 YVNUKVPCXRZQDQ-AZUAARDMSA-N 423.494 1.949 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)n1 1853355161 MQVAFZQTZPZQLB-IBGZPJMESA-N 412.515 1.850 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(CC4CCOCC4)C3)CC2=O)cc1C#N 1853718838 VLOSEQICTBMVQR-NRFANRHFSA-N 410.518 1.652 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC(Cn4cncn4)CC3)CC2=O)cc1C#N 1854048102 CXZAWXLKIGIBEU-GOSISDBHSA-N 406.490 1.859 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccnc2OC)C1=O 1854101425 WPRKVVFEJDEMDN-IAGOWNOFSA-N 400.479 1.330 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@H]1C 1854256352 MXTDYWADMRYMBB-CRAIPNDOSA-N 423.510 1.614 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCC(C)(C)C3=O)C3(CCCC3)C2=O)CC1=O 1854494403 QPSRKOAEXAKNBK-DLBZAZTESA-N 415.534 1.762 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)[C@@H]2CCCS2)C1=O 1854880988 MSBZILCZJVHFEG-IRXDYDNUSA-N 414.535 1.272 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 1855537632 MBVNZCDFIAAPCV-HZPDHXFCSA-N 400.454 1.789 30 10 HDEE C[C@@H](C(=O)N1C[C@H](C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O)n1cncn1 1855747632 VJAGMYFDHKOBHX-OXJNMPFZSA-N 406.490 1.998 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)c1 1855907116 VJONRVOZPMVDOZ-OALUTQOASA-N 408.502 1.959 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 1855948202 GJJHASQEVCCDDO-FQEVSTJZSA-N 408.502 1.563 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856791998 MDZHLOMZMPRPKH-WMZOPIPTSA-N 407.492 1.669 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@H]1CCN(C)C1=O 1857239414 CDAXACKQJSEDJZ-UXHICEINSA-N 408.502 1.585 30 10 HDEE C=CCC[C@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C)C(=O)C3)ccc21 1857368043 BFNGSYFHVIRMEF-AWEZNQCLSA-N 419.503 1.167 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858313985 FOXHUFGCWNOXCL-KRWDZBQOSA-N 419.528 1.917 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 1861215234 ORKGVGQAMUGFTD-WMZOPIPTSA-N 404.486 1.090 30 10 HDEE CS(=O)(=O)CC[C@H](C(=O)Nc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 1865987790 BTICTCIQKGVSMA-QGZVFWFLSA-N 411.439 1.596 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@H](C)O)c(C)cc2=O)nc1C 1870088108 NGZNWAVKSKPBMA-LBPRGKRZSA-N 421.475 1.663 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1870142392 BIGSHZRSWWTUQZ-NSHDSACASA-N 404.361 1.901 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCC(O)CC1 1870395526 LNGKAPQVCBGPOW-UHFFFAOYSA-N 411.502 1.686 30 10 HDEE O=c1c(Br)c(N/N=C/c2cccnc2)cnn1[C@H]1CCS(=O)(=O)C1 1873526883 BCXLKNDYKGCKMR-MIUNIBSDSA-N 412.269 1.206 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882609108 GFBBYAGOVXYJNQ-JWRCQZCYSA-N 422.503 1.705 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010394375 CEYGFAPCECJQEK-CBBWQLFWSA-N 422.331 1.907 30 10 HDEE C#CCn1ncc(NC2(CNC(=O)OC(C)(C)C)COC2)c(Br)c1=O 2044075599 PCYCOOQCQKHPOP-UHFFFAOYSA-N 413.272 1.345 30 10 HDEE C=CC1(Nc2cnn(CCO)c(=O)c2Br)CN(C(=O)OC(C)(C)C)C1 2075318332 FLSZUJBTJORMGP-UHFFFAOYSA-N 415.288 1.586 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 2124713115 HQLPSROOCGYDKY-MRXNPFEDSA-N 403.888 1.766 30 10 HDEE Cc1csc(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)c1C#CCN 2161950691 JTECXBUJBBFDCF-UHFFFAOYSA-N 405.545 1.602 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174778816 BHULVRJOBCHRHM-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)C1CC(F)(CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180120068 QRPNDVNOEWEWGZ-FVRSWCFKSA-N 402.488 1.278 30 10 HDEE Nc1cc(Br)cc(Br)c1S(=O)(=O)NCC#CCCO 2225754927 MPOHSJYEFHJAQE-UHFFFAOYSA-N 412.103 1.458 30 10 HDEE NC(=NO)c1ccc(CC(=O)NC[C@H]2CC2(Br)Br)cc1 2233037558 FNWHRDRRGFHYGC-SNVBAGLBSA-N 405.090 1.946 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)NCC(F)(F)F)s1 2237723737 CWYDQMOQLKRKSL-UHFFFAOYSA-N 414.280 1.842 30 10 HDEE CO[C@@H]1CC[C@@H]1CS(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2239423274 QPKXXTBIWZKYTD-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1 2243379430 JRBVQCDOMGMZDH-UHFFFAOYSA-N 405.264 1.445 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825446 DTZFHKJZKWTBCX-BETUJISGSA-N 420.319 1.742 30 10 HDEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247930440 SNCKRTRXDAZWBT-MRXNPFEDSA-N 414.315 1.528 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2267364283 WYTJRIGCPJOKFT-XMMPIXPASA-N 407.388 1.403 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372015 IKCZNPJSUQAFMT-JNDILOIQSA-N 407.388 1.435 30 10 HDEE COCCSCCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282045976 FMNJFDIKNSVBAI-UHFFFAOYSA-N 403.741 1.482 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](O)[C@H]1C 2282312986 DXPZZDPKZWJAFI-DGCLKSJQSA-N 401.359 1.890 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1COCCO1 2282419279 OANMOMBXOPNFHA-LBPRGKRZSA-N 403.331 1.049 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C1CNC1 2282491356 KYYWSWFISXTKFS-LLVKDONJSA-N 400.737 1.525 30 10 HDEE C[C@H]1C[C@@H](O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282493395 SXELEUWZEDFELX-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCCCN2)OC1(C)C 2282496498 BURCXVIDYKKUPD-CQSZACIVSA-N 400.375 1.609 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCN(C)C1 2282830561 WLKKEQNGPLQJJK-ZDUSSCGKSA-N 400.375 1.586 30 10 HDEE CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282834755 XPBVSEZWMIANNM-NSHDSACASA-N 402.347 1.159 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@]2(C)CC2(F)F)OC1(C)C 2282839900 JSNKEYBIXLMBQT-CQSZACIVSA-N 408.301 1.907 30 10 HDEE C[C@H]1CNCC[C@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858719 BKPZLLFZMKQEOX-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC[C@H]2CO)OC1(C)C 2282859857 RMLUQQCORBFXRT-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@]2(C)C(=O)O)OC1(C)C 2284416681 ATPNBTRUMNFHNS-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nc(O)c2[C@H]1C=Cc1ccccc1 2293261918 ONYIBFDOIKZNMM-JKSUJKDBSA-N 418.457 1.773 30 10 HDEE CN(CC[C@H]1CCO1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2296015930 NZDKBCSJAAGYMV-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE C[C@@H](C#CC(=O)Nc1nc2ccc(Br)nn2n1)NC(=O)OC(C)(C)C 2318625636 JVKGWJDXRSOWDE-VIFPVBQESA-N 409.244 1.742 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2 2365210471 KGZGZCYCFWYHFX-YCMKEVRSSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2365210784 LLEKOEOAEIMRCM-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C1CC1 2365213935 XCXMCYDWIFHECJ-DOXZYTNZSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367808596 DVZHUBDCQCVKBL-QAPCUYQASA-N 400.541 1.163 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2ccc(I)cc2)CCC1 2367834906 WAQGIMLLAAJWMO-ZDUSSCGKSA-N 404.273 1.766 30 10 HDEE CO[C@H](C#C[C@@H](N)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369627506 AFJJWDSABMQCFD-BRWVUGGUSA-N 402.557 1.850 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H]1CNC[C@@H]1F 2369653523 AYWQFCHVZYNYIH-RYUDHWBXSA-N 404.338 1.286 30 10 HDEE C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1C(F)(F)F 20840268 HVVCXTOZAOHLKL-UHFFFAOYSA-N 421.426 1.861 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2nc3ccccc3s2)n1 22628907 JDWOHKJCYXLFOX-UHFFFAOYSA-N 415.500 1.955 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)C(=O)C1=O 64835500 CIKMSNPBQJENFO-UHFFFAOYSA-N 409.483 1.144 30 10 HDEE COC(=O)N1CC2(CC2)C[C@@H](C(=O)NO)[C@H]1C(=O)N1CCN(c2ccccc2)CC1 98088147 DJXMSZSZEIKLQZ-SJORKVTESA-N 416.478 1.078 30 10 HDEE Cc1nc(C)c(/C(O)=N/C[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)s1 328603072 DQJFPLKFELOUMA-HNNXBMFYSA-N 416.551 1.911 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 427684276 DKBLUXCTBLPJOH-OAQYLSRUSA-N 402.414 1.484 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2OCCn2ccnc2)CC1 438075454 RISRBCBIDDTUAH-UHFFFAOYSA-N 412.494 1.414 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 443503962 WEHYQNKCKIDPQQ-LMSBXDPUSA-N 410.386 1.944 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)cn1 461757009 PGJZNQXALGTYJM-UHFFFAOYSA-N 402.462 1.685 30 10 HDEE CCN(CC)C(=O)CN1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462097009 HPOBJTLIYXJLAD-UHFFFAOYSA-N 424.509 1.547 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 480271766 TTWAUAAMTSJMHB-HNNXBMFYSA-N 410.496 1.471 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)cc1C#N 490454236 MHSXUJJRHIONJP-HNNXBMFYSA-N 421.276 1.718 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(n2ccnn2)C1 500549402 MSKOTMHVNFESEZ-UHFFFAOYSA-N 406.240 1.773 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(CCOc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506617996 VPISGOHJQIOAGY-NRFANRHFSA-N 422.533 1.792 30 10 HDEE C=CCOc1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 508447810 FIOVDZKUSSFREG-WNRNVDISSA-N 402.447 1.886 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508902927 MKPRRFCDAQKCDW-INIZCTEOSA-N 422.493 1.883 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 508910835 FKPSYORWFSYIQD-AWEZNQCLSA-N 413.544 1.191 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 519656164 WKLBCSKPWRZHPM-KRWDZBQOSA-N 417.535 1.446 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)c2ccc3c(c2)OCCO3)CC1 522318617 KZOOMMSWZCJSEU-KRWDZBQOSA-N 402.495 1.538 30 10 HDEE CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541175458 MWGJOQUTLQFXHD-GFCCVEGCSA-N 416.869 1.757 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)c1ccn(C)n1 553877775 ZWFNPIXYSUAFNX-ZDUSSCGKSA-N 413.253 1.247 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCOc3ccc(OCC)cc32)CC1 681541764 RPGKVRUHYHRJDR-SFHVURJKSA-N 402.495 1.538 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ccccc2)C1=O 731651793 FZBAOSRCQYQJJM-INIZCTEOSA-N 412.471 1.037 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CCN1C1CC1 732664581 MCYDABAGVPGFBF-GOSISDBHSA-N 411.487 1.117 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(=O)n(C)c(S)nc2c1 734292748 UJBRACDJPHWTMA-UHFFFAOYSA-N 414.468 1.521 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC(=O)N(C)C1 737954512 DTAGEDYRPFVDIM-HIFRSBDPSA-N 406.508 1.021 30 10 HDEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC1CC1 740457372 FJNQXBOHODJBAR-INIZCTEOSA-N 419.507 1.340 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 749524159 ULJRCCHDJJDFRP-AWEZNQCLSA-N 421.519 1.696 30 10 HDEE Cc1ccn2ncc(C(=O)NS(=O)(=O)c3cc(Br)cc(C#N)c3)c2n1 754773734 ZHYWYFATHISKGH-UHFFFAOYSA-N 420.248 1.791 30 10 HDEE CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 757312987 QLYRITBXTCSCEW-DTHCKZEYSA-N 407.517 1.929 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 763666465 REUPKOMDOTWSMV-UHFFFAOYSA-N 400.522 1.659 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1C(=O)NC1CC1 764667096 PDCDSRNUWOFBOH-CYBMUJFWSA-N 412.471 1.756 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4cc(C#N)ccn4)CC3)C2=O)C(C)(C)O1 764865069 QEWRPUXQCOYZBY-NRFANRHFSA-N 412.494 1.301 30 10 HDEE CCn1nccc1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 769865559 KDAAGKSGMCUDGF-CYVLTUHYSA-N 411.509 1.517 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(-c2ccccc2)s1 771893298 YGPBBTJXWPZDRY-UHFFFAOYSA-N 418.500 1.515 30 10 HDEE C#CCN(C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 774038413 JCDWETNVFCGVLB-HNNXBMFYSA-N 407.492 1.116 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 780207344 XOHCPRMLTYAOPF-NAVXVDNBSA-N 411.458 1.929 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780207350 XSBNBVBXGKYXNI-QGZVFWFLSA-N 406.391 1.316 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 781824169 MJGDPQYEYLZWTC-FXBPSFAMSA-N 419.511 1.682 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)N2CCc3ccccc3C2)n1 790104523 DZXKNMOGMPSPQB-UHFFFAOYSA-N 409.490 1.259 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 790109149 NHZVBJOTEJLBHT-IBGZPJMESA-N 411.418 1.593 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2=O)c1 790845172 JZQRMLNNITXBDI-FXBPSFAMSA-N 422.507 1.077 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)ccn1 795972004 VKSPIFSWNLUIPJ-UHFFFAOYSA-N 417.219 1.627 30 10 HDEE COc1ccc(NC(=O)COC(=O)c2cc(C#N)ccn2)cc1S(=O)(=O)N(C)C 803847973 AWSVKEUQAPAJIL-UHFFFAOYSA-N 418.431 1.008 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 809907683 PMMKRSKGTRSJDD-NVXWUHKLSA-N 412.494 1.981 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 812172845 OPYJZIDEEDVFKL-LSDHHAIUSA-N 408.503 1.971 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccnc(Cl)c2I)CC1 816291360 RUINDEXZOKGKKP-UHFFFAOYSA-N 418.622 1.538 30 10 HDEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916774940 GKVDMOKSBJXYPC-OAHLLOKOSA-N 421.500 1.649 30 10 HDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc(OC)ccc2OC)n1 1083987611 OLTIZNHQTHDXHD-UHFFFAOYSA-N 408.440 1.633 30 10 HDEE C=CCn1c(C2CCCCC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 1121618624 PHMDCQNZBWPQLW-UHFFFAOYSA-N 424.571 1.211 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccn(CC(C)C)c2=O)c1 1125488896 DUTMBTBCESPLCF-UHFFFAOYSA-N 421.497 1.991 30 10 HDEE COc1cc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1 1131935183 BBOHVXGUWIVFRP-KRWDZBQOSA-N 407.430 1.526 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)OC)CC2)s1 1155595079 RWRWLZJEDMVYPW-UHFFFAOYSA-N 401.510 1.102 30 10 HDEE COc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(OC)c1OC(F)F 1159491194 WHLKPDIZRDBSTP-UHFFFAOYSA-N 422.344 1.136 30 10 HDEE CC[C@](COC)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1160930253 IECORENZEDVNHL-IOHWQQQBSA-N 423.510 1.858 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cn2ccnc2)c2ccccc2)cc1 1175869742 AYTXAJQPEVCZLK-LJQANCHMSA-N 409.471 1.591 30 10 HDEE C[C@H](CC(=O)NC[C@H](O)Cc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1177981160 KPRAKIKIFPVUMT-UKRRQHHQSA-N 419.478 1.363 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1180964808 XHKPVCUXKRRHNV-GASCZTMLSA-N 422.507 1.664 30 10 HDEE O=C(c1cc(-n2ccnn2)ccc1F)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273795 XAQKRIMWIWMAPU-UHFFFAOYSA-N 409.377 1.924 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C(C)(C)CN1CCOCC1 1195054690 HOMCXQVRDOSRIA-SFHVURJKSA-N 419.595 1.500 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)OC)c1 1211973263 FWMVDKMPUNMVGS-QGZVFWFLSA-N 403.460 1.060 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)c1 1213371798 ZPJKAYRIKBVZTI-YOEHRIQHSA-N 410.492 1.239 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)c1 1213924523 YCWOITZADXNLCY-SJORKVTESA-N 421.519 1.985 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1228479010 JLIZQPVVLCQIHQ-UHFFFAOYSA-N 408.524 1.906 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3C(=O)COc4ccccc43)CC2=O)cc1 1252087678 GEPIGXDQJGQIQG-QGZVFWFLSA-N 418.453 1.843 30 10 HDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@]1(F)CCOC1 1258363581 FKDKIEKWIOXGDD-QFBILLFUSA-N 423.466 1.637 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)nn1 1276646040 BVANMKIOCFGHSP-QFBILLFUSA-N 401.467 1.810 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1286382514 TVLYMLJANYKMFI-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCc2cn[nH]c2)CC1 1286475166 YCCVLDAVOLUIOL-UHFFFAOYSA-N 421.505 1.683 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286561620 FONMQEXGQIDGQB-HZMVEIRTSA-N 410.540 1.734 30 10 HDEE C=CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286704753 FXXWEWMNRYDHSJ-GQIGUUNPSA-N 405.499 1.831 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCNS(C)(=O)=O 1286746829 AUZSNLCXNHADCH-UHFFFAOYSA-N 421.552 1.482 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286836135 IBBDCHZXKPQSCK-HNAYVOBHSA-N 423.539 1.490 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1286954989 RDPAQULLJYGKDY-IYBDPMFKSA-N 412.494 1.869 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)COCCO1 1290859315 ORBSVXJWQJKKDV-FQEVSTJZSA-N 400.458 1.729 30 10 HDEE C=CCOC[C@H](NC(=O)CSc1nncn1-c1ccc(C)c(C)c1)C(=O)OC 1297029288 FFIFYAPVCWPHKM-INIZCTEOSA-N 404.492 1.837 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1300266977 BQIMGLRCGQLKMH-OAHLLOKOSA-N 418.523 1.154 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1300298543 DSMWRDHQWMRZGR-OXJNMPFZSA-N 413.551 1.401 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1300321718 NDEODOCFYHGPEZ-INIZCTEOSA-N 414.535 1.630 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1300365373 VKMXQGAFVBCKSI-IAGOWNOFSA-N 417.539 1.417 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300423411 OWWRXMVFTLAUTL-INIZCTEOSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1300488345 RAPFRJWJPLDJBN-INIZCTEOSA-N 413.507 1.187 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300496933 WMBXZQFOHPBANB-MBOZVWFJSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1300531997 KCOBEALRICJGRQ-PMACEKPBSA-N 420.517 1.614 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOC[C@H]2CCCO2)CC1 1300704010 YSYHDCPEKKQBIU-OAQYLSRUSA-N 424.549 1.605 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(C)C)CC1 1300766905 NSJFZOWRXFSBIX-UHFFFAOYSA-N 412.563 1.935 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1301043860 FCHDLWVWZXIQRK-CQSZACIVSA-N 403.936 1.600 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1301270744 KOHYNNULEJHNBJ-WIYYLYMNSA-N 407.559 1.909 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1301510107 TZUKNEZDDKAEOM-DLBZAZTESA-N 401.515 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnc(C)s2)C1 1301558761 YFVTUTRWCDXGGB-CABCVRRESA-N 423.564 1.775 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1303436552 GWBPREFOUIWWAX-OAQYLSRUSA-N 412.494 1.583 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1305244756 KACJOGHVHWXTDU-IYJAJMOOSA-N 414.422 1.122 30 10 HDEE Cn1c(=O)[nH]c(N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1307207379 QEDYOUYTHDKGFE-HXUWFJFHSA-N 403.483 1.563 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(C#N)cn1CCOC 1310522800 AKHMNHALEOHCOQ-YNEHKIRRSA-N 405.455 1.312 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 1314682105 LKBPBORFYXLMKP-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE CN(CCOC(C)(C)C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314877412 LFSCFZRFKYUBMJ-VLGSPTGOSA-N 402.499 1.933 30 10 HDEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CCC(N)=O)CC2)o1 1316532243 XXFKOANMJZQYIB-UHFFFAOYSA-N 406.450 1.730 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COCc2ccnc(O)c2)c1 1357766804 IHOPPTFQJYFFDK-UHFFFAOYSA-N 409.442 1.177 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1358874770 CPJBDCUQRZPNIR-UTKZUKDTSA-N 403.527 1.791 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358926467 PZRHJDRIYZABQK-KRWDZBQOSA-N 416.551 1.701 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1cccs1)N1CCOCC1 1358945494 JALKGCIEKJVELT-KRWDZBQOSA-N 411.535 1.883 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1358969312 MQZUNFADDSQFBR-IRXDYDNUSA-N 415.519 1.429 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(F)(F)Br 1358997573 XPYPYIWLIBOXLC-UHFFFAOYSA-N 414.254 1.851 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359035766 DCMSTGNWPBSTDA-SLFFLAALSA-N 416.570 1.037 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1359150845 HVWBOOJYRQHZIM-SNPRPXQTSA-N 417.963 1.988 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1359216546 YCAWSJDHHIOGMD-GFCCVEGCSA-N 411.450 1.576 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCN1CCCS1(=O)=O 1359279751 RHORRHAEIKAXEW-UHFFFAOYSA-N 409.512 1.521 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(N)=O)cc2)C1 1359312112 NXJXIWWAZUHCRN-KRWDZBQOSA-N 412.494 1.345 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359331466 ADDOBMXDYVGOIR-QGZVFWFLSA-N 423.583 1.305 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CCC)C1 1359334190 WNEKIGJAPWZUHG-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1359474353 QHIIIKZCCOQLCX-WMZOPIPTSA-N 417.535 1.993 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1360143114 YEMSKXVRCFSTAE-AWEZNQCLSA-N 409.280 1.537 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]([C@@H]3CCOC3)C(F)(F)F)C2=O)cc1 1439859971 JAVSFPHTBPGSDJ-XNRPHZJLSA-N 424.379 1.847 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c(C)nn(CC(=O)OC)c2C)c1 1447174204 JXKFZFGTIUKPQZ-UHFFFAOYSA-N 417.487 1.400 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1454352499 DXJXLBGHJZPUPG-INIZCTEOSA-N 402.472 1.639 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)OCC 1454716435 WOLZVSNRABUECY-AWEZNQCLSA-N 406.863 1.880 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1460358988 GKYFOQNETVKYGV-MRXNPFEDSA-N 406.527 1.403 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCO[C@@H](CS(C)(=O)=O)C1 1460859781 PEXMEFMBXVHDFA-HZPDHXFCSA-N 409.508 1.076 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461661506 HQKBRBPIEBLIHU-YJYMSZOUSA-N 405.838 1.355 30 10 HDEE CCN(CC)CCN(C(=O)C(=O)/C=C/c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1466157410 KGSIHELKAUMBJB-HKMNZKMDSA-N 410.511 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1CC(NS(C)(=O)=O)C1 1467375042 CDZOTMVGBYGDCM-JXQTWKCFSA-N 402.517 1.160 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)CO)c1 1468044054 UURNGXJAKUDECZ-LBPRGKRZSA-N 423.878 1.788 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)CCOC)cc1)C(=O)OC(C)(C)C 1468706517 GDRRXKNPPWYBFM-UHFFFAOYSA-N 410.492 1.916 30 10 HDEE C[C@@H]1OCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(F)(F)F 1470294328 UXKGWBNJPVQSSQ-NHYWBVRUSA-N 419.425 1.684 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1470662045 BYLSEWZQGXKWBH-SJLPKXTDSA-N 412.490 1.880 30 10 HDEE CCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H](C)CS(C)(=O)=O 1470671033 CSOSSSFZXJVAOG-MRXNPFEDSA-N 406.552 1.987 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1471246635 XCVHJWHUJBKEHC-ZXFUBFMLSA-N 403.508 1.141 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 1471894058 UHPRSIIZMYWHFP-FOIQADDNSA-N 405.426 1.607 30 10 HDEE N#Cc1cc(F)c(C(F)(F)F)cc1N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1472757765 VECCYSGHQNDHCC-UHFFFAOYSA-N 403.361 1.950 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1473639170 XUTTZXKIIWMLLU-ILWGZMRPSA-N 419.481 1.609 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC 1475579516 ULNHXFFFNOYQCF-MRXNPFEDSA-N 416.521 1.257 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@H]1CCS(=O)(=O)C1 1479168212 VYAZJDFBCOFNRK-PQEBFOHHSA-N 423.332 1.919 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1501551176 WPAOUMITBCAXKM-GOSISDBHSA-N 417.535 1.993 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(C)(C#N)CC2)n1 1503687973 XFRPOUCNEZIVAX-UHFFFAOYSA-N 413.436 1.849 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1507619908 FROHEGGRZXBLHX-UHFFFAOYSA-N 424.549 1.603 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507620378 QIIOMZMZHCTVGM-LJQANCHMSA-N 409.538 1.276 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507630280 WATZSQVBWGWJCW-INIZCTEOSA-N 419.551 1.583 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507657722 YRPBRUWTACBUSR-NZQKXSOJSA-N 422.533 1.941 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC=CO2)CC1 1507715940 KGRGIUSRFYIZAV-GOSISDBHSA-N 400.527 1.644 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1507731511 KLIIWMOONWSYEF-PMACEKPBSA-N 400.571 1.658 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507753477 LMHPGNKAYNEYSQ-GOSISDBHSA-N 418.611 1.730 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507760387 ZULPAXKRRDYOMC-QZTJIDSGSA-N 405.568 1.655 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)NC1CC1 1509952702 JCHNVIAJRNSRLL-CYBMUJFWSA-N 413.482 1.803 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1513167056 DIKYZGKDZDTCOX-AUUYWEPGSA-N 405.478 1.261 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCC1CCOCC1 1513916162 DBPDSRFHCZQZDQ-UHFFFAOYSA-N 412.542 1.897 30 10 HDEE COCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1519415838 UWIWHAVYVIQBIM-IBGZPJMESA-N 415.494 1.866 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CCCOCC1 1521422741 DKRJEFWYLRNSCP-VXPUYCOJSA-N 423.477 1.017 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1 1525997430 JFHVXVHRNCVDKF-UHFFFAOYSA-N 404.386 1.868 30 10 HDEE CN1C(=O)CC[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1526162076 BYXLCQGEQBKBNK-ZDUSSCGKSA-N 411.418 1.286 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1534585498 MQDDNFABBGBSCR-UHFFFAOYSA-N 401.492 1.364 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1=O 1537574190 ILWAQZQBBGMOSO-AWEZNQCLSA-N 420.466 1.937 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C1CC1 1538991648 BRWYERXKJBPTFX-MRXNPFEDSA-N 405.510 1.863 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539065066 BGLNFSUKERQQTO-IBGZPJMESA-N 416.570 1.970 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539127707 NAWCQOTWDXGSCF-UHFFFAOYSA-N 422.533 1.753 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(O)CC(OCC)C2)CC1 1539441760 VDSJFNPCLMRBSL-UHFFFAOYSA-N 413.497 1.769 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1539512344 BRYNPXQHOKCCPS-HUUCEWRRSA-N 400.512 1.029 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540007022 XQRPBKGAIVKGHM-MRXNPFEDSA-N 411.510 1.569 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCS(=O)CC1 1540866503 PCVXJTCXDKKGTC-UHFFFAOYSA-N 411.890 1.609 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC(C)(OC)C1 1540867311 RJWBXLKKMQEOMX-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@@]1(OCC)CCOC1 1540876532 UVROJJFJZYTKHK-LLGFUMIMSA-N 419.526 1.380 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540902105 ARBGBJQNLKTZGQ-ZDUSSCGKSA-N 408.446 1.914 30 10 HDEE CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1541411864 FEIOIWANBGVQDW-JXFKEZNVSA-N 405.522 1.932 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)CCOC1 1541725671 MOWSYCKIAYANCP-QZTJIDSGSA-N 404.450 1.052 30 10 HDEE O=C(Cc1ccc(OCc2ccncc2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 1542978025 FJUWENGTEKZCIZ-DQRAZIAOSA-N 406.442 1.846 30 10 HDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1548244192 DTWIYTVJJAVONK-SFHVURJKSA-N 423.521 1.854 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1554138795 PJMLXMQXRZGVQA-FYWRMAATSA-N 424.387 1.204 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1554382880 PCKXMXUMGCPRKE-RHSMWYFYSA-N 423.521 1.550 30 10 HDEE COC(=O)c1cn(C2CN(C(=O)COc3cccc(Br)c3C#N)C2)nn1 1556139655 IENZAXBBPCWCDM-UHFFFAOYSA-N 420.223 1.161 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1556375408 IQRQQMAUCYMRKC-GOEBONIOSA-N 408.451 1.974 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H](C)O1 1557342698 UOUKZIQEGFIYMZ-YOEHRIQHSA-N 403.284 1.697 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1557432785 DUOONTGUDSOQLB-UHFFFAOYSA-N 408.543 1.115 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)c2cccc(C)c2)c1 1558054031 NKUDYCGKSCISAP-LJQANCHMSA-N 414.483 1.941 30 10 HDEE CC(C)CN(C(=O)CN1CC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 1560017839 VZUNFYVGDBPKLR-FQEVSTJZSA-N 404.515 1.412 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCc2c(CC#N)cccc2C1)[C@H]1CCS(=O)(=O)C1 1560042289 KMPONRYHVOVQDP-APWZRJJASA-N 403.548 1.925 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 1570678407 YCMOKKCVCUOLMU-SFHVURJKSA-N 423.535 1.154 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1570697660 YCAFDNNLUXPFQX-HNAYVOBHSA-N 416.540 1.652 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1585567620 GIFNDOQFSYYBLJ-JKSUJKDBSA-N 413.540 1.999 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588030414 URDKAQHKMSRNHT-ZJPYXAASSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H]1C 1588109762 MKHAQXDFCYMOQI-SFHVURJKSA-N 415.505 1.478 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)nc2OC)CC1 1588800489 IPNQOYOIKRCWPQ-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE CN1CCn2c(CCNC(=O)c3occc3COc3cccc(C#N)c3)nnc2C1=O 1594082162 OLZSUMZVPWHZSE-UHFFFAOYSA-N 420.429 1.380 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594727187 LMLKKOYUTJEBBK-IAGOWNOFSA-N 416.526 1.905 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1594744034 JAENACHJOPQOAP-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(CO)CC1 1595489797 IWTNQRIEPATXCK-UHFFFAOYSA-N 423.315 1.547 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CCCC2)cc1 1595972077 VZAWPMSLUMWXQX-KRWDZBQOSA-N 403.504 1.180 30 10 HDEE CC(C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1598558786 JQPKPGDNGMPZNY-MEUCICPISA-N 424.509 1.655 30 10 HDEE N#Cc1cccc(OCC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c1 1603401324 KLTRVBLDRUBKEE-CQSZACIVSA-N 401.220 1.774 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1606958620 POZBHMWTIGIAKA-QRWLVFNGSA-N 401.515 1.474 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)CC#N 1610304481 DAJUVXBEZUHVKK-HNNXBMFYSA-N 405.528 1.330 30 10 HDEE C=CCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1617224529 BDWWAFXWIHMXOX-NHCUHLMSSA-N 415.534 1.776 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)ccc1F 1618088683 XBZOEYYKKJYXMD-HNNXBMFYSA-N 412.483 1.748 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1619766192 DJXFNGFHZZORDL-VQTJNVASSA-N 404.515 1.432 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1620024137 DODYDXGAOLVOGE-IRXDYDNUSA-N 407.515 1.816 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1 1621672086 QNTLDIBTPFHLDW-UHFFFAOYSA-N 417.512 1.551 30 10 HDEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1622705659 GVRQEPVIGSCXEG-SFHVURJKSA-N 407.492 1.257 30 10 HDEE CSc1ccc(CNC(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)cc1C#N 1625940361 VHOCMLKKVVPXNZ-UHFFFAOYSA-N 400.485 1.822 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 1626560795 GNGQYBXOQDEURK-GOSISDBHSA-N 417.462 1.825 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1628775418 FPMFSTBTTWJVHT-NSHDSACASA-N 406.489 1.746 30 10 HDEE N#CC1(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCSCC1 1630711257 JEBFVXFGHXHKSB-HNNXBMFYSA-N 409.533 1.663 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1632250688 WCUKEZKQJGFTSM-IAGOWNOFSA-N 421.542 1.147 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc3c(c2)C(=O)NCC3)c1 1633699203 HQOCWQGACCHTDC-UHFFFAOYSA-N 401.419 1.339 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1634575195 ZJGSIPKGKLWCST-UHFFFAOYSA-N 415.490 1.646 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c3ccncc3)cc2C1=O 1634770099 GLLILDVMBFTRAU-ROUUACIJSA-N 423.425 1.259 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)n[nH]2)c1C 1634879258 XPXUHTLJCMXGDU-CQSZACIVSA-N 406.512 1.217 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1635206803 ZTWUESOVPAKAMR-HRAATJIYSA-N 419.478 1.695 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(C#N)c(F)c3)CC2)CC1 1636179686 PWUNQCWNAZVRSH-UHFFFAOYSA-N 401.486 1.783 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(Cc3ccccc3)c2C)CC1 1636475812 YBJWCUGKUXETNS-UHFFFAOYSA-N 414.531 1.379 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1638135100 WNVIFFZDTFWAQM-WKILWMFISA-N 420.491 1.803 30 10 HDEE CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccs1 1638829841 AHRXTGOHFYFWKH-MRXNPFEDSA-N 420.516 1.109 30 10 HDEE C=CC1(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CN(C(=O)OC(C)(C)C)C1 1639178688 FPGTZKGJDPNDRV-LIRRHRJNSA-N 409.508 1.196 30 10 HDEE N#Cc1ncc(N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nc1C#N 1639682363 ZHGIHLJAGCHHCN-UHFFFAOYSA-N 406.830 1.523 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1 1640326551 NRYWKLJEVHTPFG-UHFFFAOYSA-N 413.528 1.948 30 10 HDEE C#C[C@H](CO)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1641575136 XBXXLBXPXUHWLM-GOSISDBHSA-N 400.500 1.999 30 10 HDEE COCCN(CC#N)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1642106204 AALMORWHVKMWLW-OAHLLOKOSA-N 406.487 1.852 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1643304116 DAXGGMJJDXXTOM-IINYFYTJSA-N 415.397 1.378 30 10 HDEE Cc1nc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n[nH]1 1644238601 UPBUHZRXMXJGSZ-UHFFFAOYSA-N 402.480 1.153 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccc(Cl)c(Cl)c2)CC1 1644282324 ZRKPCFNDSULJSR-UHFFFAOYSA-N 420.318 1.374 30 10 HDEE COC(=O)[C@H]1CN(C[C@H](O)c2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1644662173 PHQQWNPNEYRTKI-MSOLQXFVSA-N 415.490 1.934 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1645229747 FSTPROJDCOTZJF-UHFFFAOYSA-N 424.519 1.254 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1648553706 LSUOBKJUYBBZDU-HNNXBMFYSA-N 408.480 1.078 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1 1650954724 LYONBGJGGJIZPH-LLVKDONJSA-N 402.341 1.439 30 10 HDEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652520624 AGBCBGMQJHJALY-CDXJDZJCSA-N 417.531 1.536 30 10 HDEE C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1655563113 XXXTZFAELJMHMT-IRXDYDNUSA-N 405.520 1.380 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)c(OC)cc2OC)CC1 1656066672 BPJRBPLGLXDRNA-UHFFFAOYSA-N 404.282 1.615 30 10 HDEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1657321177 SCFSSRAYDKFGMD-PMACEKPBSA-N 415.534 1.978 30 10 HDEE C=CCOc1c(Br)cc(CNC[C@H](O)CS(C)(=O)=O)cc1OC 1658087753 YRMQARFQOPJPHS-LBPRGKRZSA-N 408.314 1.518 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1662905194 MFFJYKSALRSZHY-IBGZPJMESA-N 406.504 1.699 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OCC 1663905275 KZWQNXVLHPDYFT-CQSZACIVSA-N 416.521 1.304 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@@H](CO)c1ccccc1I 1673202579 KTRCDFWVWHDIAY-HNNXBMFYSA-N 415.275 1.579 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675134411 QTVZVDOUGRIQMQ-RBAQFSTRSA-N 416.547 1.334 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1676257883 ZSAYTMQEQGQWRC-UHFFFAOYSA-N 406.552 1.614 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1 1682560036 JSWQSUVWZJVNTO-MRXNPFEDSA-N 405.462 1.557 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1682984760 WCPRCLVHZLRLSF-LSDHHAIUSA-N 414.325 1.847 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1684752582 GPPLENVNLYAVFO-MRXNPFEDSA-N 409.527 1.822 30 10 HDEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1685193063 HSMQMDMHPOSPDH-UHFFFAOYSA-N 413.503 1.431 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CCN1Cc1ccccc1 1685645690 WOWVRTZMGWXFRW-ROUUACIJSA-N 407.478 1.180 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cnn(C)c2C)c1 1689873407 HNJLGJFJBGPKMW-UHFFFAOYSA-N 421.505 1.961 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1689907507 ASLKNXWQTZROMF-UHFFFAOYSA-N 418.501 1.984 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2nccc(C(F)F)n2)CC1 1690120148 JAUBIXXISXOICD-UHFFFAOYSA-N 412.448 1.815 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2ccc(O)cc2)CC1 1690128891 LHKKZVWUDHDOOB-UHFFFAOYSA-N 402.502 1.967 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1690188592 LIKVEXHCNZIHOY-YZVOILCLSA-N 407.540 1.070 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H](C)CN1CCOCC1 1690192528 BCUUJIGDRUAVOA-CNNODRBYSA-N 419.570 1.963 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC)C1 1690237125 VRQUMUKTMFODPG-BZSNNMDCSA-N 419.526 1.347 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1690515136 GCWAIKHERGOYOE-CYBMUJFWSA-N 409.512 1.576 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 1690663128 MROKEGBLNDYRNH-QGZVFWFLSA-N 423.521 1.276 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1690725640 XGQUGXRTTNRGCM-SJLPKXTDSA-N 407.584 1.894 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1692584219 URFFFYVPPNCBHD-OAQYLSRUSA-N 418.542 1.831 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(N)=O)CCCC1 1694296888 GZUKQGFADGEQRH-CQSZACIVSA-N 403.531 1.981 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696843526 RKZHHJBTXMIDIV-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCC1(F)F 1705574057 TUQOGJXTNPUELQ-LSDHHAIUSA-N 413.494 1.787 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCOC(C)(C)C2)CC1 1705635961 STSUNARHZJWCRY-UHFFFAOYSA-N 412.538 1.713 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(CCN(C)C)CC2)CC1 1705637695 IPQFAXGSRPRVIE-UHFFFAOYSA-N 424.597 1.302 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnnn2C)CC1 1705642604 ACBYJIBEUHEJAA-UHFFFAOYSA-N 420.521 1.352 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@H]2C)CC1 1705649149 MHUYPAIORJCBQI-AEFFLSMTSA-N 410.522 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)C1 1705697061 JTLAGFNCGYJACT-JZXOWHBKSA-N 407.515 1.262 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705905066 IJZADFZNSXLWOI-QGZVFWFLSA-N 411.510 1.061 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(F)c1 1706870619 FUEJNNDNBUWHNT-UGSOOPFHSA-N 424.477 1.712 30 10 HDEE CCOCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1710806473 QXFMRNPXRMUHID-WDSOQIARSA-N 418.542 1.605 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCCC 1722284284 ZVRLHRYGNOCVTB-AWEZNQCLSA-N 403.508 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1722285927 ADEMNKYXSNBVDV-AOMKIAJQSA-N 413.522 1.877 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1722291343 IWXMDTCMHHOSDH-VQIMIIECSA-N 403.490 1.980 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CC1 1722384466 WFNJHYMOIPWSLD-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)CCC)CC1 1722432583 BHEBNQILUHRQLV-RTWAWAEBSA-N 405.543 1.237 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1722436071 VYDWPVMFQOMEMP-UHFFFAOYSA-N 400.490 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cnn(CCOC)c2)CC1 1722445528 XUHWJBMEUKWLLX-UHFFFAOYSA-N 413.526 1.259 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1722461004 AZSXEVQWTIMUNS-UHFFFAOYSA-N 415.567 1.754 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722535975 AZWKMYAQTIZBLD-QGZVFWFLSA-N 403.527 1.870 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1722624090 SBWGCMFVIGLPKZ-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1722690768 LKFUKLCLXYBGKI-ULQDDVLXSA-N 410.540 1.615 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722693168 FPYGQWBSGULDBF-KRWDZBQOSA-N 421.505 1.983 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722702358 IKGQSZFXDIXSDD-QGZVFWFLSA-N 422.493 1.025 30 10 HDEE Cc1nn(C)c(C)c1CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1725801121 LUNQAWQQTZJEEE-UHFFFAOYSA-N 422.493 1.900 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1729673019 ORZSPEKRBKMQCW-QGZVFWFLSA-N 400.458 1.764 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730481589 AVOGWLYFVFTYRF-SFHVURJKSA-N 422.468 1.918 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC(=O)N1 1730749674 DVCBAYGHZVEHRB-RTBURBONSA-N 424.505 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1740549256 DQZVMBJQUAKSQI-FUHWJXTLSA-N 402.520 1.855 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740589469 ZTGPVCLQAGINKG-RTBURBONSA-N 413.570 1.247 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nncn1-c1ccccc1 1740616156 UTFUCHHJFCMYJJ-LPHOPBHVSA-N 407.478 1.701 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(OC)CCOC1 1740631880 XYPDCQHXPUAUCP-QFIPXVFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F 1740679517 BKMKENPEJUYKMJ-OAHLLOKOSA-N 423.514 1.470 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCOCC1 1740685401 MYKXIWCZYXNCCX-OALUTQOASA-N 405.543 1.226 30 10 HDEE C=C(C)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740784925 CNWNRMDZDPPOPU-HXUWFJFHSA-N 404.515 1.500 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740802062 IFQXEZPBMBYWRJ-RDBSUJKOSA-N 402.952 1.314 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1740895205 URZKTYJSLVZWBB-QGZVFWFLSA-N 421.509 1.802 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740958562 QNRFDADKUHDEKS-AWEZNQCLSA-N 422.480 1.937 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CCOC)[C@@H](CCC)C2)nnc1C(C)(C)C 1740965000 KOZUPXNRUTVKKX-KRWDZBQOSA-N 406.575 1.815 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1741113490 FACRXZRCVLVSBG-IBGZPJMESA-N 423.521 1.695 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1741517507 FYKSGZJPRGBABQ-KRWDZBQOSA-N 418.542 1.830 30 10 HDEE CCc1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1744619022 HNUVXBYUYJYSPE-UHFFFAOYSA-N 402.524 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1748650661 BHGPESPERJUASO-KGLIPLIRSA-N 403.464 1.746 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748820607 FNQQUMFURCWNNU-SFHVURJKSA-N 405.568 1.343 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748989207 IIOIZGOBJGVYFY-KRWDZBQOSA-N 418.542 1.404 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749130414 LKCIWQCGYXZHSS-HCXYKTFWSA-N 419.526 1.105 30 10 HDEE C=CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1749764312 YRHOQPOOCSHPHF-HXUWFJFHSA-N 423.583 1.908 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)COCCO1 1749832955 XWVYYWJOPCWUJH-HXUWFJFHSA-N 417.514 1.312 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnccc1OC 1750006637 HUDDKLADLIZYEH-ZBFHGGJFSA-N 402.455 1.183 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750380602 UYFILSWYFBQTFI-BONDDZEJSA-N 422.424 1.308 30 10 HDEE CC1(C)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNS(C)(=O)=O)C[C@@H]21 1751284090 DRRAXUUUYZNWCI-IRXDYDNUSA-N 414.535 1.848 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)N(C)C)CCCC1 1760179214 OSLJEAVIGBJANG-IRXDYDNUSA-N 403.527 1.720 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1760180981 NWGOTHLNDAWABM-PXNSSMCTSA-N 424.567 1.601 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(N(C)C)nc1 1760250165 FXYRLPISBHWKEE-UHFFFAOYSA-N 405.506 1.859 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@@H]2C)CC1 1760265017 LBHGRFWXDFQUNG-YRPNKDGESA-N 417.554 1.430 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1 1760333347 DKOPTOXQJXYKND-WBVHZDCISA-N 413.482 1.605 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760410535 IGRIFVCZOGOWTQ-MRXNPFEDSA-N 423.521 1.398 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760451994 AKKHYSPBNOJGHY-ROUUACIJSA-N 403.527 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1760465186 YWXKXWHBRQIRHD-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)CC)C1 1760540218 DCMZYIHECPYJFA-OAHLLOKOSA-N 423.514 1.805 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCOCC2)C1 1760546113 IXGRXCJVHCRPAD-KRWDZBQOSA-N 419.551 1.957 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCN(C)C 1760693122 LVPYHIWBGRZNSV-OAHLLOKOSA-N 400.483 1.848 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCSC2)CCOC1 1761290508 ARJGSAQTDDVGLK-GPMSIDNRSA-N 407.540 1.801 30 10 HDEE CCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1764723928 ADHGPVSPAUADIU-WUKNDPDISA-N 401.496 1.616 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1766578785 JMAXAKRJOQHGBQ-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1767574617 HBDQDZLHMGSMSU-OAHLLOKOSA-N 423.521 1.681 30 10 HDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1770653211 MRERICBAEBOMMF-RBSFLKMASA-N 406.487 1.424 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@H]2CO)C1 1770730930 HOFXCWZYQVPQAS-QKLQHJQFSA-N 406.506 1.808 30 10 HDEE N#CC1CCN(CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1850259554 NHKCOKQHDXOGIF-OAHLLOKOSA-N 401.536 1.511 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1850424406 JSXDZSAGVYHEHA-GOSISDBHSA-N 424.954 1.941 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N(C)c1ccc(C#N)cn1 1851316169 ZAKUNPIXNWBKTL-MRXNPFEDSA-N 401.492 1.722 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2cc(-n3cccc3)ncn2)CC1 1851380803 LMWSPLUZUHQFNY-UHFFFAOYSA-N 418.457 1.875 30 10 HDEE CCN1CCN(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])CC1 1851830422 NDZQENZMGWPGCZ-GOSISDBHSA-N 400.483 1.189 30 10 HDEE N#Cc1c(-c2ccc(Br)cc2)cnnc1NC(=O)[C@H]1CN2CCN1CC2 1852658370 HJATWBHYAKHXDS-MRXNPFEDSA-N 413.279 1.716 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)C(=S)N=CN(C)C)CC2)cc1 1853132632 FAFBTFYUOKBWLZ-UHFFFAOYSA-N 410.565 1.729 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CCOCC1 1853385289 GBAWPYYQNRCMHW-HNNXBMFYSA-N 411.911 1.930 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1853747075 QHAGOYREHNBGRW-SFHVURJKSA-N 403.504 1.604 30 10 HDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854421339 MQXOTHCUVOQSJE-UHFFFAOYSA-N 405.476 1.211 30 10 HDEE COC[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C1 1854591522 BFTNVIFLLCAFJM-AWEZNQCLSA-N 405.476 1.453 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)C[C@@H]3CCCO3)C2=O)CC1 1854809727 RWRILKWSOXBRED-RBUKOAKNSA-N 411.506 1.552 30 10 HDEE COc1cncc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1C 1855119070 TUFBHQCNRNZGTD-OAHLLOKOSA-N 406.442 1.826 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1 1855475310 DLQWRZHRRZRAMC-HNNXBMFYSA-N 409.483 1.600 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1855552894 NESHGVATFUZNEB-SFHVURJKSA-N 405.520 1.477 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)C3CC4(COC4)C3)C2=O)CC1 1855909827 QZTIADIFGZATBR-SFHVURJKSA-N 409.490 1.019 30 10 HDEE CCn1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)cc1=O 1855944720 UIGPHSQCKPUSBU-INIZCTEOSA-N 408.458 1.492 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)Cc3cccs3)C2=O)CC1 1855961173 HEDXBQPQBOLSAQ-SFHVURJKSA-N 409.515 1.897 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC(Cn4cncn4)CC3)CCC2=O)c1 1856502319 FPZOBKGQXSLJNG-IBGZPJMESA-N 406.490 1.941 30 10 HDEE Cn1cncc1C(=O)N1CC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857010085 ISEIVGABNXOBIW-KRWDZBQOSA-N 408.462 1.219 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1COCCO1 1857019465 QBRBIWYGAQBGJC-YJBOKZPZSA-N 420.487 1.247 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1857024026 PZLIWWLKXYFLQR-SJLPKXTDSA-N 423.579 1.606 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857066299 JVSCFKPYUKXBML-QZTJIDSGSA-N 401.486 1.977 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1[C@H]1CCN(C2CC2)C1=O 1857078164 YLVSLCFRQPCUIM-IBGZPJMESA-N 408.502 1.704 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN1CCCC1=O 1857483330 OMMJNXWPHZSNOE-UHFFFAOYSA-N 419.503 1.311 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCCOC)c(C(=O)OCC)c1C 1860760626 AQGUPWVEHXODRA-UHFFFAOYSA-N 412.464 1.667 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cc(C)ccc2OC)c(=O)cc1CN(C)CCO 1870424221 FNGLGNQJKQJAGW-UHFFFAOYSA-N 415.490 1.793 30 10 HDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN(CCOC)CCOC 1870523309 CXZJYPRLNIUUMS-KRWDZBQOSA-N 409.527 1.423 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2)CC1=O 1874336826 DSLMARHUZHAFQC-OOMAIKSQSA-N 404.471 1.601 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccn(C(C)C)n3)CC2)CC1 1889275569 ZEGYEMICTZYYON-UHFFFAOYSA-N 401.555 1.726 30 10 HDEE Cc1c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cccc1[N+](=O)[O-] 1890106319 TVSFNWDPYAWDBB-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)c2ccc(N3CCOCC3)nn2)c1 1890335047 AHMAPDAOSGARHL-UHFFFAOYSA-N 423.517 1.972 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC12CCOCC2 1965777579 NEUQDUOHPZXKLY-AWEZNQCLSA-N 401.529 1.872 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc[nH]cc1C#N 1987165071 LNJBHQFNCQZMOF-KRWDZBQOSA-N 410.478 1.734 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)NCC(F)(F)F 2157013549 DXOMRAWSWMYJSX-UHFFFAOYSA-N 414.280 1.842 30 10 HDEE CN(C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCO1)C(=O)OC(C)(C)C 2174782262 OTLONRQWQATCKL-CABCVRRESA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N(CCC#N)C(C)(C)C 2181053167 JPRSFUNHJXCQHU-CQSZACIVSA-N 401.529 1.951 30 10 HDEE C=CC[C@@](C)(CO)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2201829659 JXWFGDTVWWCZFL-RDTXWAMCSA-N 404.529 1.102 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CC2(Br)Br)C1 2218015141 OQGXXUGGNRULEZ-DTWKUNHWSA-N 401.124 1.562 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)[C@H]21 2245253034 GKCOJJLECHWHST-SCAYIUIISA-N 408.304 1.925 30 10 HDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247827815 DINHXQORYROPSZ-CQSZACIVSA-N 422.335 1.988 30 10 HDEE Cn1cc(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247845398 QBFOFYBNTSUZLK-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N(CC(N)=O)Cc1ccccc1 2248970077 NRJJCBHZBJBFHX-UHFFFAOYSA-N 409.295 1.817 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(Cc2ccccc2)C1 2255639271 ORHOBMUSLXYGFB-UHFFFAOYSA-N 424.354 1.890 30 10 HDEE C=CC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258174108 VAQANIPEPNXBIJ-QGZVFWFLSA-N 410.492 1.682 30 10 HDEE CC(C)NCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354227 BADULMPYMJFNSN-UHFFFAOYSA-N 408.782 1.977 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270527949 NCSPYBGEGNWQRI-SFHVURJKSA-N 422.503 1.662 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]3[C@H](O)CO)sc2Cl)OC1(C)C 2281964890 DVDSHAWUYHUPGX-VXGBXAGGSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCCCC34OCCO4)c(F)c2)OC1(C)C 2282036289 HDCMESKHSPQYCI-OAHLLOKOSA-N 406.263 1.935 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282147081 IYAODBDKJWLDQP-GWQKEKGPSA-N 400.375 1.965 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282508315 UVQWSZTUPUWXJX-RUZDIDTESA-N 401.359 1.174 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1O 2282508650 ZHHPEYGBJWZQFG-OBJOEFQTSA-N 401.359 1.875 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2282560513 FNLHRFNZDYGDKN-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=[S@@](C)(=O)N3CCOCC3)c2)OC1(C)C 2282586649 BEPSXDKPOMOLSJ-AREMUKBSSA-N 400.331 1.533 30 10 HDEE C[C@H]1[C@@H](N)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828356 MYEVSYREWQBNDT-FZMZJTMJSA-N 400.737 1.749 30 10 HDEE CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282860117 VQRAFAYUMIHZQZ-UONOGXRCSA-N 401.359 1.971 30 10 HDEE COC(=O)CN(C(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282873477 LZAPNUKPXZLHIS-UHFFFAOYSA-N 403.331 1.619 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)c2)OC1(C)C 2284411075 ZESATNXGNQVJCM-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288911647 LXBZGSRVIDLPQB-STQMWFEESA-N 402.347 1.117 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2nc(=NS(=O)(=O)CC3(C#N)CCC3)s[nH]2)C1 2296459658 NVIKCZOMKAGEFP-UHFFFAOYSA-N 413.525 1.730 30 10 HDEE N[C@H](C#Cc1cnn(C2CC2)c1)[C@@H](O)c1ncc(I)s1 2366131020 OEUSRVRKILNUSD-ZYHUDNBSSA-N 400.245 1.692 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367816959 QPNNJUJDLPZJLE-HRCADAONSA-N 402.557 1.599 30 10 HDEE C[C@@H]1[C@@H](O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C 2370704446 DUTCASSALVRGIA-AVGNSLFASA-N 401.359 1.827 30 10 HDEE CC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2370843240 QHJQCEOJEPZGHC-OLZOCXBDSA-N 401.359 1.827 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 27560075 CMOFGPLHVNSPED-UHFFFAOYSA-N 400.445 1.770 30 10 HDEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 96353198 KKWULRSBHQXRKW-UHFFFAOYSA-N 400.416 1.454 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(OCC(=O)O)c(C)c2)c1 109911989 AJJDLYDXSNTPBT-UHFFFAOYSA-N 416.455 1.381 30 10 HDEE COCCN(CC/C(N)=N/O)S(=O)(=O)c1cc(C)c(Br)s1 123654328 UXTMAKDGAYHGOF-UHFFFAOYSA-N 400.320 1.593 30 10 HDEE N#CCN(CC#N)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 129993747 CIQWPTPBPXZLGB-UHFFFAOYSA-N 405.173 1.027 30 10 HDEE O=[N+]([O-])c1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254699029 GAOMUPDHCXHOJW-UHFFFAOYSA-N 413.438 1.504 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 306121503 HOYYRILTTRZHTJ-OWDOTMIMSA-N 400.471 1.904 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 410073277 DDYPYLFRXGKHQD-JKSUJKDBSA-N 423.535 1.123 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)N4C[C@H](C)O[C@H](C)C4)no3)cc2C1=O 445399268 AYQVVVBQBVKKRM-BETUJISGSA-N 410.430 1.697 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446519464 AKAIUMQYHAJPIV-RISCZKNCSA-N 408.388 1.605 30 10 HDEE COCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1=O 461137704 CHQJQJVEEXCOFE-LJQANCHMSA-N 424.505 1.681 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465492926 GVGTXJQMXMFYPM-QAPCUYQASA-N 407.478 1.235 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 467051412 ONPYJCXQOJZBIB-WNOSKKOXSA-N 405.476 1.025 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472119892 JZCJFNMJAJAEAJ-OAHLLOKOSA-N 407.496 1.257 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476805175 JZCGYZCADDFDCL-MRXNPFEDSA-N 414.462 1.180 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)c1 477982222 HTDASCRFFVYTII-UHFFFAOYSA-N 423.473 1.856 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C 478840960 KIKGQJLMGMAMSD-UHFFFAOYSA-N 408.483 1.619 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 505617177 DEXFVVGWYNOWJC-UHFFFAOYSA-N 411.462 1.986 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC(O)(CC#N)C1 506361073 BYUMPNXTHOKEDK-NSHDSACASA-N 401.282 1.346 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1 513262643 OMSNGPCFDZYVAL-MLGOLLRUSA-N 402.480 1.405 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)NCCS(=O)(=O)c2ccccc2)c1 517919646 FBDPFFUJHVJBRL-UHFFFAOYSA-N 415.471 1.898 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCN2CCOC)cc1 518386172 OYXRCLYZGLVTSI-KRWDZBQOSA-N 410.540 1.725 30 10 HDEE Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 524297323 QWQRFQCSLJFRRZ-LBPRGKRZSA-N 414.896 1.877 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCSC)c1=O 532799876 WUZHODAKSGALFZ-UHFFFAOYSA-N 402.545 1.361 30 10 HDEE N#Cc1cccc(N2CCN(c3ccc(S(N)(=O)=O)c(C(F)(F)F)c3)CC2)n1 546883664 PNFPKYSXOWLNBF-UHFFFAOYSA-N 411.409 1.946 30 10 HDEE C[C@H]1[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC(=O)N1Cc1ccccc1 547378476 UGJUSMOGANRXSW-KSSFIOAISA-N 409.494 1.627 30 10 HDEE C(#CCN[C@@H]1CCCC[C@@H]1N1CCOCC1)CN[C@@H]1CCCC[C@@H]1N1CCOCC1 551449228 UBOQNNWPCSZDIB-LWSSLDFYSA-N 418.626 1.456 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 554203623 JNUDDQMUMRYLGW-OAQYLSRUSA-N 420.513 1.981 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 555266178 WVCHUXUGEVREFL-QAPCUYQASA-N 413.544 1.192 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 558043924 PYENRISPXSFHJC-MRXNPFEDSA-N 421.523 1.054 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@H]2CCCO2)CC1 559124589 WTAIEYPUYVUKFI-QUCCMNQESA-N 424.505 1.743 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)n1 570897462 YQMXMLYKVCBABP-UHFFFAOYSA-N 422.466 1.222 30 10 HDEE C=CCNC(=O)Nc1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 586592386 HNBMCIKCHLDCAH-UHFFFAOYSA-N 402.476 1.614 30 10 HDEE COc1ccc(OC)c([C@@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 603629250 GBHGANNCSZRCNG-CQSZACIVSA-N 413.478 1.871 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)cn2)cc1 609955573 CXAOGSKXEWNLOJ-UHFFFAOYSA-N 402.414 1.729 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H](CO)c2nc(-c3ccccc3)no2)c(F)c1 616419002 FVDQQLUWJIPSBW-MRXNPFEDSA-N 402.407 1.900 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 727415601 WPRXEMMZBILDBN-INIZCTEOSA-N 413.499 1.244 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(OC)c2OC)cc1 727743369 RLQDYESMEPNLOD-UHFFFAOYSA-N 404.444 1.876 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(Cc1cccs1)C[C@@H]1CCCO1 732464874 BRIDDENVPYUFOY-DNZUHHBVSA-N 404.492 1.965 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3sccc3C#N)cc2)CC1 734776302 ZURWIRQRZIEUGA-UHFFFAOYSA-N 419.484 1.556 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 741339539 HDQUBAWUQXDXAD-RJLNKPMYSA-N 403.357 1.247 30 10 HDEE C[C@@H](Oc1cccc(Br)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 742071644 GQKVSCIXJMCQRG-WYFZMLARSA-N 408.252 1.859 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCc2cnc(C3CC3)nc2)C1 758604185 LNYSHWUVGDONKR-JKSUJKDBSA-N 400.483 1.955 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2F)C1 760300898 KNTIHKDLXMOMOX-IUODEOHRSA-N 421.498 1.697 30 10 HDEE C=CCC[C@H](O)CN1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 760813385 FFEZUEAFCOGQMM-INIZCTEOSA-N 416.565 1.032 30 10 HDEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 765548961 VNPWDSMIQLHQBY-SLNYWTKHSA-N 412.519 1.527 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2cccc(C#N)n2)CC1 767993500 RHQGZQXGDJRBLJ-MRXNPFEDSA-N 403.483 1.532 30 10 HDEE C[C@@H](CC(=O)NCc1ccc(C(=O)O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 769510769 UZAUONKGTUZXFX-LBPRGKRZSA-N 401.444 1.518 30 10 HDEE C=CCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 771468426 KTLPRXOYPDZYDQ-QFIPXVFZSA-N 414.506 1.537 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 773973543 RBPIUTUUOCMNBI-RHSMWYFYSA-N 407.492 1.456 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccccc1F)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152018 FATUPJBJYGABPE-PBHICJAKSA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774166024 DOBKUEUKXSWSOL-AZUAARDMSA-N 418.563 1.029 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)NCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 774172658 QKJYOHYFIYCGJL-GOSISDBHSA-N 405.520 1.548 30 10 HDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 780205230 KGLPNVNXLCCRJG-JLTOFOAXSA-N 410.426 1.653 30 10 HDEE COc1ccc(CNC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 782538791 IEBYZSYHCSIEHM-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccnc(Cl)c3)cc2C1=O 782636296 WUADCDLKANKUTR-UHFFFAOYSA-N 405.819 1.636 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 783117349 CDCSJNWJGSIDMW-SFHVURJKSA-N 408.480 1.428 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nc(-c2ccccc2)n[nH]1 784790910 RIZQHYNZIYKMPG-UHFFFAOYSA-N 424.486 1.259 30 10 HDEE C[C@H](OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCC1 787782021 JEEAWPFBIULMGW-BTYIYWSLSA-N 415.446 1.566 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@H]2CC(c3cccnc3)=NO2)cc1 790549210 LUTBGBYGLZVCIZ-ZWKOTPCHSA-N 407.455 1.986 30 10 HDEE Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 798739936 FWBAGZHWUCBYLC-QGZVFWFLSA-N 410.478 1.297 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 805783279 VTRFDLZRHWBKQB-DLBZAZTESA-N 406.529 1.817 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 810166366 RQACHBZQLNHPPG-XFJHAZTOSA-N 416.507 1.902 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 819462891 CJWOWSXFMHJSNU-QGZVFWFLSA-N 400.479 1.707 30 10 HDEE C=CCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nn1 1127353798 QOHQHZDNYBLZBZ-UHFFFAOYSA-N 405.480 1.010 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1129338695 LCFZIDMKLBYAMD-IIBYNOLFSA-N 416.478 1.959 30 10 HDEE COc1ncc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1133849989 AKWJAHBNMQCAPN-LBPRGKRZSA-N 403.439 1.368 30 10 HDEE Cn1nc(C2CC2)cc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1134074553 LAJMFESTFFFAHR-KRWDZBQOSA-N 406.446 1.691 30 10 HDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)c1ccccc1 1134275651 LCZAGEKGPSIKOX-VDGAXYAQSA-N 401.488 1.078 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2cnc(N)n2)cc1 1141966514 FBUFCIKGGBGHCJ-PXLXIMEGSA-N 405.484 1.092 30 10 HDEE Cc1ccc2nc([C@@H]3CCCN(C(=O)CCn4cc(C#N)c(O)nc4=O)C3)[nH]c2c1 1151909391 AQCVQXXKDAKMLV-CQSZACIVSA-N 406.446 1.802 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCC=C(C)C)CC1 1152967226 BAVXBXCQVNYWTF-UHFFFAOYSA-N 407.561 1.970 30 10 HDEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1158530655 LHUOBLFZPYXCPK-MRXNPFEDSA-N 407.536 1.812 30 10 HDEE COC(=O)c1sccc1NC(=O)CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 1165615734 SRNSQCYLRSAUOB-LJQANCHMSA-N 412.427 1.812 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)c1ccc(F)cc1Cl)c1cc[nH]n1 1168908133 WMKVXEQRNJOALN-UHFFFAOYSA-N 410.789 1.485 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1C 1179869794 OEHONUFMWVIULJ-UHFFFAOYSA-N 404.517 1.682 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3ccnc(Cl)c3c2)CC1 1187353219 DVZLCZACJLGSSY-UHFFFAOYSA-N 420.922 1.334 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1212393035 ZJYWCLHIAJRJHB-MOPGFXCFSA-N 408.520 1.729 30 10 HDEE COCCN(CCOC)C1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1235531650 RBKKOHIWHRZEPB-HXUWFJFHSA-N 400.523 1.794 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1276481870 SFXQVDUXZOKNTG-OAQYLSRUSA-N 411.462 1.855 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1286495726 CZMQANZJJSJHDW-QWHCGFSZSA-N 403.599 1.196 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286537466 CTBMOFVHTHBGHS-VXGBXAGGSA-N 411.304 1.100 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1286607748 VCQIRMVFYHRCTA-UHFFFAOYSA-N 401.515 1.720 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC(=O)NC 1286673650 ZXVIDABIYJQURF-OAHLLOKOSA-N 411.572 1.745 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1286692089 AFEYZDBLHJKAEG-IRXDYDNUSA-N 410.588 1.919 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286712887 NQHNALLEZRBDJK-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@@H]1C 1286822274 CDKPZTZUIQVXLT-YOEHRIQHSA-N 406.556 1.975 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286833446 DASATDZSGQSWTM-IAGOWNOFSA-N 417.535 1.543 30 10 HDEE CC(C)N(C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1287891825 IFWPNNTXQRIJIV-INIZCTEOSA-N 412.498 1.384 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C 1288606476 DSIJUAZYSUYHJJ-CRAIPNDOSA-N 416.551 1.780 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)cc1OC)CCS2(=O)=O 1289586585 LFPWBQLPBNHOTD-BIWSTMPVSA-N 406.460 1.196 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21 1293032563 NGHJOPADYUEQPC-GYZGHRBCSA-N 416.275 1.977 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1300008268 OKXVVSLKNRVAEC-POAQFYNOSA-N 404.532 1.806 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1300310727 ZCQJGGSHTBYLPU-PBHICJAKSA-N 421.498 1.256 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300361285 DHUUDPFJIXEAGG-QGZVFWFLSA-N 409.556 1.841 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300409641 IZQQMAJPAKAQMW-SFHVURJKSA-N 402.543 1.186 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1300424930 PFBJCICGKNMRSP-OAQYLSRUSA-N 403.527 1.648 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1300537891 LIMVPGRPUWJOKJ-LJQANCHMSA-N 408.458 1.405 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccc(CS(C)(=O)=O)cc1 1300547044 CKAJOZCHJYMNIV-UHFFFAOYSA-N 400.504 1.480 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1cccn(CC)c1=O 1300586865 MKMGVZWQLMGLDF-UHFFFAOYSA-N 400.486 1.957 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCNc2ccccn2)CC1 1300707104 VMRSKVUXUGNICA-UHFFFAOYSA-N 422.537 1.053 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)CC1 1301066998 VPFZLSIMWZTBPZ-HOTGVXAUSA-N 409.556 1.861 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H](C)O1 1301374917 NZYDGOJCELXODK-LZFQIVBZSA-N 424.505 1.535 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1301454157 OTHRCRLWXJEAQZ-INIZCTEOSA-N 402.524 1.928 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCC1 1301806375 FJCRRIVZWZFQDS-UHFFFAOYSA-N 423.477 1.875 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CCO1 1303005483 ZZIHLMCBWWZMEH-ZIAGYGMSSA-N 422.898 1.006 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)s1 1304777379 OZHJGJXNDLSKKY-CYBMUJFWSA-N 402.528 1.789 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](Cc3nc(C)no3)C2)c1 1309903808 ZOHJKPOKHFTNDU-OAHLLOKOSA-N 404.492 1.937 30 10 HDEE CN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CCC1 1314692134 SOTFFGXQQHBKGV-INIZCTEOSA-N 420.495 1.113 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1358875690 UOMIBYMTZLDKSO-BXWFABGCSA-N 410.540 1.355 30 10 HDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358914302 PRBLQGVPZJVAJT-GOSISDBHSA-N 408.506 1.895 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1358970162 HMXXRYISPOSYLW-QHCPKHFHSA-N 423.517 1.447 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1359002452 ZSHKJIIUVUJGAD-OAQYLSRUSA-N 403.527 1.648 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(C)COCCO2)CC1 1359033698 MNKSAWJJLBVSKX-JOCHJYFZSA-N 411.506 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCSCC)CC1 1359043789 ILTXLACQXZJALL-UHFFFAOYSA-N 413.551 1.844 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCc1cnn(C)n1 1359065514 SLCGMROXCVIRRG-OXJNMPFZSA-N 401.515 1.756 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1359229794 VIQFWORZCONDMN-OAHLLOKOSA-N 404.515 1.641 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1359233348 AUJALCNJIRFXNP-INIZCTEOSA-N 406.508 1.776 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1359235543 CXQAYCYEYPQAFG-UHFFFAOYSA-N 423.525 1.654 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359299446 FSNJEGNLHWNTKN-CBGDNZLLSA-N 419.526 1.249 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1359661135 DLRMKLHAGGXHAD-FGTMMUONSA-N 409.494 1.793 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1360347870 OOPPIKIKMBKILQ-OXQOHEQNSA-N 407.515 1.863 30 10 HDEE C=CCc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)cc(OC)c1OC 1438312846 VDUYGQKWOXRATJ-HNNXBMFYSA-N 411.476 1.235 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(=O)N(C)C)c2)s1 1441256370 RPDOUIICCGTRIO-UHFFFAOYSA-N 421.544 1.773 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(NS(=O)(=O)CC)CC3)n[nH]2)c1C 1441367636 GEGFNJNYGCPYJN-UHFFFAOYSA-N 420.539 1.620 30 10 HDEE CN(C)C[C@@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446586308 MIYZJJYKVHIOQW-AVRDEDQJSA-N 416.522 1.821 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cnc(-c3ccccc3)cc2=O)[C@H](C#N)C1 1447479663 FXIQBCFKQJPVLB-SJLPKXTDSA-N 423.473 1.786 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2noc(C)n2)s1 1447633905 SLWQSPQNGZZIAF-CYBMUJFWSA-N 412.493 1.046 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 1450189341 BRIZRSPFJQFGBE-OAHLLOKOSA-N 409.508 1.599 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)CC1 1452499645 PVBUIHYTVWIELM-LJQANCHMSA-N 404.536 1.657 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC2(C#N)CCCCC2)cc1 1453559940 CPMZBANQCQMTQI-UHFFFAOYSA-N 406.508 1.904 30 10 HDEE Cc1c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nnn1Cc1ccncc1 1458004747 YOGHAZHUVNOJHQ-UHFFFAOYSA-N 420.429 1.548 30 10 HDEE COC(=O)[C@@]1(N2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc34)CC2)CCOC1 1458495648 FHNXYKVOHQANRY-HXUWFJFHSA-N 420.391 1.978 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2ccnc(-n3cncn3)c2)cc1Br 1462128450 ADTKSBKPLXTKGO-UHFFFAOYSA-N 413.235 1.992 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1462133425 ZQMFYCDTBZSEJO-NUJGCVRESA-N 403.454 1.998 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1464290913 BLKRNTGSAQKASV-INIZCTEOSA-N 412.581 1.067 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@H]1CCN(O)C1=O 1468372095 BDFIJDHYOHDUGH-GJZGRUSLSA-N 423.267 1.084 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)C(=O)NCc2cccs2)c1 1469414570 QVGJTRUJLJZPAN-QGZVFWFLSA-N 419.528 1.484 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 1469595873 AYPBXIFUQVLKNU-IUODEOHRSA-N 422.532 1.655 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1471423998 HKUJMNLKNMQQML-DOTOQJQBSA-N 406.527 1.851 30 10 HDEE CCOC(=O)[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(I)n1 1473050267 KDGCDSCAEDUOAT-NSHDSACASA-N 416.219 1.304 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1499308208 SAOCZSFMVNRJSH-UTKZUKDTSA-N 410.478 1.337 30 10 HDEE CCOCc1nnc(N2CC[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503046150 WXMGDPSWEPQGQZ-IJYGLTAASA-N 402.499 1.823 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1504918471 FULFYKFBVLTUFF-INIZCTEOSA-N 400.483 1.453 30 10 HDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1505041776 ZRVQFGNRAAMIFA-LJQANCHMSA-N 410.478 1.989 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCOC1 1505074556 UZEIQRZSJFNQBQ-CPLUKWAASA-N 405.499 1.284 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccnc1)C(C)C 1507600692 JZPQBPATYRUTPQ-WBVHZDCISA-N 404.540 1.793 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)OCO2 1507657414 QZPYVCUQFIQXIN-UHFFFAOYSA-N 402.458 1.990 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507729127 DZMKGPPOVMHSOB-BGYRXZFFSA-N 402.587 1.731 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(CC)CCS(C)(=O)=O 1507798024 MUJAZFHSIMCWFQ-ULQDDVLXSA-N 412.556 1.634 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC2(CC1)CNC(=O)C2 1507809255 IXYAEXSNYMUDIM-APWZRJJASA-N 403.527 1.902 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1508038334 INCBOGGGKNBVTR-OAQYLSRUSA-N 421.492 1.853 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CCOCC2)C1 1508072979 UPBRAFKWIYRZSU-UHFFFAOYSA-N 418.542 1.506 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](COC)C1 1508088644 ZWFLAPPUQUQNCN-KRWDZBQOSA-N 415.494 1.031 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508090440 NLQOQXTWNUOGAB-OALUTQOASA-N 416.570 1.787 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1517309164 MEQSCCYKJGGAGH-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1517346622 VYWBNOHDEFZYEP-UHFFFAOYSA-N 424.505 1.538 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N(C)C 1519319221 LPCXVFXGBQYJIX-JZXOWHBKSA-N 405.547 1.129 30 10 HDEE Cc1cc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)no1 1525781199 NJARNMPZZIFRJO-FXBPSFAMSA-N 406.464 1.951 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[S@@](=O)CC(F)(F)F)ccc1F 1528441740 VHADFMFUIGTHDC-RUZDIDTESA-N 416.418 1.331 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539176323 LUVOMZGDILXTIV-INIZCTEOSA-N 403.508 1.198 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1539194179 SBBOOLHQFFAFHR-QZQOTICOSA-N 420.473 1.761 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC 1539265521 HHPVTWBJBYCXEI-MRXNPFEDSA-N 407.540 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCOCC1(C)C 1539415717 GERZFGWGCHAPGM-SFHVURJKSA-N 405.543 1.369 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1539446919 LVRDZHAFNURCEZ-QGZVFWFLSA-N 411.506 1.603 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CCOC2)CC1 1539459573 KLWXOKVAQUQMIS-QFIPXVFZSA-N 411.506 1.072 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNC(=O)C(C)C 1539612099 ILYRSNZOXWHWKU-SJORKVTESA-N 420.558 1.606 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1539668817 GPKGAESMURQVHY-BRWVUGGUSA-N 412.556 1.634 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1540039897 JEWSHYXFBFJSAM-LJQANCHMSA-N 415.542 1.837 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1540069927 ZMMDRGCJQKJNEW-MRXNPFEDSA-N 419.507 1.334 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540861910 LEVXXTMENMWEMJ-NVXWUHKLSA-N 417.558 1.172 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1542292006 DFIDRVAHQDQZBT-UHFFFAOYSA-N 400.460 1.504 30 10 HDEE CC[C@@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1546082843 DRWOHFHVFQYODH-ACJLOTCBSA-N 422.511 1.407 30 10 HDEE CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)o1 1546937830 HILABDVPOFUJBV-GXTWGEPZSA-N 423.543 1.924 30 10 HDEE CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547018623 CUHKUQWCIRYCNF-GFCCVEGCSA-N 419.511 1.223 30 10 HDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1547598825 XWZZCBIYBIHQRI-SZMVWBNQSA-N 404.515 1.215 30 10 HDEE Cn1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)n1 1554342405 ZEBNINSTNSVGJK-KRWDZBQOSA-N 408.422 1.558 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1554597161 HPDBPARYNHBDRR-GJZGRUSLSA-N 418.523 1.322 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1555267559 VTXXFFDZTUAPPY-GOSISDBHSA-N 422.468 1.918 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1555719864 KSLRSXGCTUITMJ-QGZVFWFLSA-N 412.494 1.572 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)c(=O)n1C 1559448500 CRCCPLSKPKOGFU-HXUWFJFHSA-N 402.454 1.827 30 10 HDEE C=CCC[C@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1568995685 ZIJRRZSXHVEACA-OAHLLOKOSA-N 408.296 1.963 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCN(Cc2ccccc2)C1 1584284139 DTLHFCPMYCCYEN-LJQANCHMSA-N 409.490 1.724 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1587248817 IWFMHCSGQIZOOC-KRWDZBQOSA-N 411.252 1.880 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(OC)[C@@H](C)C(=O)OC(C)(C)C)s1 1587604405 GCAHRQCQKZMYHI-LBPRGKRZSA-N 418.537 1.875 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C)CC1 1588811445 JIAOSXGEPBBVGT-IBGZPJMESA-N 413.547 1.292 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1593728918 FVDOGTYLPUKYOQ-UHFFFAOYSA-N 402.499 1.171 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1594615245 FXVKJQRBTQZNAF-INIZCTEOSA-N 424.571 1.446 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1594949372 YTSCRURTKWJYGQ-SJORKVTESA-N 414.510 1.826 30 10 HDEE CCOC(=O)c1[nH]cnc1CNC(=O)COc1cccc(Br)c1C#N 1597963738 AWRHWDDLWIZATP-UHFFFAOYSA-N 407.224 1.916 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3cc(Br)cs3)C[C@H]1CS(=O)(=O)C2 1611166189 XOTNLFDMISPLMI-HZMBPMFUSA-N 403.323 1.840 30 10 HDEE COc1cc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1Cl 1611369051 ALLQDJNWEJOIBL-UHFFFAOYSA-N 407.879 1.857 30 10 HDEE COc1cc(Br)c(C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1OC 1614780906 HPXMXEJQHJKXQO-UHFFFAOYSA-N 422.235 1.390 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1616206260 ZSCJKYGOCROOSJ-WIYYLYMNSA-N 419.526 1.866 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cn1 1617665394 FZBVNNXTOAZNCY-QGZVFWFLSA-N 408.510 1.869 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1618825984 SBKCNSLIDNNJGL-HUUCEWRRSA-N 408.476 1.481 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 1624257087 QKGGAAKSUZYGDA-HNNXBMFYSA-N 413.496 1.316 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)[C@@H](C#N)C2(SC)CC2)C1=O 1624877654 ZXMRCVVPCGSJTI-HNAYVOBHSA-N 416.503 1.708 30 10 HDEE Nc1c(Br)cc(Br)cc1C(=O)N[C@@H]1CCCN(O)C1=O 1625082196 BCVZDQGBTSKJBU-SECBINFHSA-N 407.062 1.904 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3C2(C)C)C1=O 1625219676 ZSBPDQAEUCEOJB-UHFFFAOYSA-N 415.446 1.300 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](CO)(c3ccccc3)C2)s1 1628497938 LDZCXHBTJPDZSV-FQEVSTJZSA-N 420.556 1.918 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1628627636 AGBGECRYNGKIHN-IMJJTQAJSA-N 414.321 1.153 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)N1CCC[C@@H](CC)C1)c1cc[nH]n1 1628965300 MSIIEIVLASVQGK-OAHLLOKOSA-N 407.515 1.710 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1 1629003143 WXWSTAQZPYSBBA-QGZVFWFLSA-N 406.529 1.621 30 10 HDEE COc1cccc(C(NC(=O)Cn2cc(C#N)c(O)nc2=O)c2cccc(OC)c2)c1 1629311346 FZWKQIOTRKZKHC-UHFFFAOYSA-N 420.425 1.744 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1629613171 WKHJYOLYSRJJLR-HUUCEWRRSA-N 407.448 1.127 30 10 HDEE N#Cc1c(CCCNC(=O)Cn2ncc3cccnc32)nn(-c2ccccc2)c1N 1629710088 PQBMFAIELOLHJY-UHFFFAOYSA-N 400.446 1.820 30 10 HDEE Cn1cc([C@H](O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1630024750 SLYJFMQDBFOCKK-PLDFALSOSA-N 403.483 1.357 30 10 HDEE COC(=O)C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1631134832 YOMNFLYHXXKZKB-INIZCTEOSA-N 421.519 1.743 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 1631935621 NBXUCXUIMVZCFX-PXAZEXFGSA-N 405.417 1.820 30 10 HDEE COc1cc2ncn(CCCC(=O)N3CCN(CCC#N)CC3)c(=O)c2cc1OC 1632348555 CIPHWHQLCKFMNB-UHFFFAOYSA-N 413.478 1.252 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1 1632448290 CSKFYLWEGKSADY-UHFFFAOYSA-N 422.869 1.821 30 10 HDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CCO2)O1 1633913995 XKZQHUDCNQZADG-ROUUACIJSA-N 422.503 1.757 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2csc(CCC(F)(F)F)n2)CC1 1634876158 GJVASBGPZKLNKS-UHFFFAOYSA-N 402.442 1.074 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(CC(=O)NCc3ccccc3)CC1)C2 1637885624 JBZVMDKOTFTDDM-JOCHJYFZSA-N 417.513 1.669 30 10 HDEE Cc1ccc(C(=O)N(CCO)C2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1639321821 USTOFQISLFDNNJ-UHFFFAOYSA-N 402.344 1.823 30 10 HDEE COC(=O)[C@@]1(NC(=O)c2cccc(C#CCO)c2)CCCN(Cc2ccccc2)C1 1639436097 HOLPSLRFWDVBRF-XMMPIXPASA-N 406.482 1.968 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1639840849 UHCUMJNNROBSBF-OALUTQOASA-N 403.523 1.902 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)C1 1639974036 UFEAPNYGIXYKAX-OAHLLOKOSA-N 404.492 1.552 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CCS(=O)(=O)Cc2cccc(C)c2)c1C#N 1641124063 DYRDKXBYOCPDBG-UHFFFAOYSA-N 403.508 1.685 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1641179573 YMZXXWQZOCTYML-UHFFFAOYSA-N 418.469 1.203 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OCC 1643588649 DVMOGBAQIRCGQH-LBPRGKRZSA-N 422.862 1.215 30 10 HDEE Cc1cnc(C2(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CCC2)[nH]1 1644327703 FLUYHKMVPOUZJN-UHFFFAOYSA-N 401.492 1.732 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(N4CC[C@H](O)C4)CC3)CC2=O)cc1Cl 1645897547 RDIHIZJTJDIBCK-QAPCUYQASA-N 416.909 1.622 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1648062115 IGBJHRVXIDLXQM-OAHLLOKOSA-N 421.519 1.697 30 10 HDEE CN(CCC#N)C(=O)CCN[C@@H](CO)c1ccccc1I 1655834105 CSVDQEXWIWSLIE-AWEZNQCLSA-N 401.248 1.676 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 1673121465 XBNCIRLXPBQMAF-GOSISDBHSA-N 403.508 1.216 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 1679943978 FMKBWRIAIXQJGA-JJXSEGSLSA-N 418.498 1.698 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1682293519 QBMNBWIYJDFSAF-KRWDZBQOSA-N 400.460 1.640 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1682964295 RDJOYUUIUSBOIO-ZWKOTPCHSA-N 418.542 1.377 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccccc3)s2)CC1 1684137420 JAWNUSOTTNAACK-UHFFFAOYSA-N 418.544 1.710 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)C1 1687603651 QBBBQZCJYVEEHY-GUYCJALGSA-N 402.442 1.939 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1689853777 YGERNAMNSFGESO-DOMZBBRYSA-N 423.395 1.927 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1689875131 KSWUKUKNQDBPCR-IKGGRYGDSA-N 408.572 1.365 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1689940104 NTTHKHMCTZMGOE-QGZVFWFLSA-N 401.442 1.361 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCOCC1 1690003578 RBBLEYSIOSYJSD-OAQYLSRUSA-N 418.563 1.915 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690722288 DETHWGPRYLWKSX-GDBMZVCRSA-N 406.512 1.197 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1694604583 ANCVTYGGHVAQJS-HNNXBMFYSA-N 406.494 1.975 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCCCO)CCO1 1698492472 CRARUKBUQMKMDR-HNNXBMFYSA-N 417.491 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1705475546 MPRXJLGBQYWMJK-INIZCTEOSA-N 409.490 1.986 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705566355 NOXLETVWRHSIGF-QGZVFWFLSA-N 412.519 1.862 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1705598672 OPVOAWXBSDSLHD-SYJIQKIWSA-N 405.524 1.040 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)C 1705617187 WPWXWTDSHKSXFT-UHFFFAOYSA-N 402.524 1.644 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1705639431 NWSSXFXWSFDLNL-NHCUHLMSSA-N 409.534 1.795 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705681167 OKKWXAVMAMWLQS-UPJWGTAASA-N 403.277 1.472 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnn(CCOC)c2)CC1 1705784080 GPKIXDGCCKXMMU-UHFFFAOYSA-N 413.526 1.694 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1)N(C)C 1706782980 GBHHZGKGNDVJBN-KRWDZBQOSA-N 417.521 1.883 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCC(OC)CC1 1712647601 DZSZMIWEMQXOOU-ZBABMDLNSA-N 419.526 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1722306293 QLMUVRCPZNYFLN-ZVZYQTTQSA-N 415.494 1.921 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1722316655 KWUKBHQFGVQVOV-MSOLQXFVSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@](C)=O)CCC1 1722373927 OILGUGXKCAFGLZ-NGOKVRLYSA-N 404.536 1.304 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccsc1 1722374524 WNNNPQGQKLWNMN-SFTDATJTSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(C)(=O)=O 1722401869 KRDAZRWVRXOOTQ-IAGOWNOFSA-N 406.552 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1722412789 DUICOVRSKWDDFF-KRWDZBQOSA-N 421.498 1.258 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCN(CC)C2)CC1 1722434679 XKXHNYJKXXCZBT-SFHVURJKSA-N 423.521 1.950 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1722481904 CFTJGEPPDDJMGQ-ZDUSSCGKSA-N 413.320 1.890 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)COCCO1 1722667080 VWIDBTNSGCVHHC-NRFANRHFSA-N 422.493 1.905 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1 1722672574 UFGUZSQJUQFCLW-QGZVFWFLSA-N 423.583 1.469 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC1 1722793646 CGKWTAAFMDOCEK-UHFFFAOYSA-N 412.494 1.560 30 10 HDEE C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723826920 BLIQMNUWSYCAFH-AWEZNQCLSA-N 404.478 1.825 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1728794272 HFKHVANNAAZAIK-PMACEKPBSA-N 417.489 1.771 30 10 HDEE CN(Cc1cscn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729441398 ZVNPZIVBUUXKSN-GFCCVEGCSA-N 418.504 1.786 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N2CCOCC2)C1 1731183053 QSXWMAPMULOVNJ-LJQANCHMSA-N 418.498 1.621 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1740550160 HULODJGAPNVODX-FUHWJXTLSA-N 424.567 1.471 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1740606420 CBYTZKGVQFIOMT-OAQYLSRUSA-N 419.533 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1740655081 XCPKRMPFQLOXGD-UHFFFAOYSA-N 423.484 1.751 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1cc[nH]n1 1740674200 XRMLRYLPGRZLHQ-UHFFFAOYSA-N 407.478 1.778 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CCOC)c2)CC1 1740826060 XDDLMQJUYDNLIS-KRWDZBQOSA-N 420.539 1.228 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1740890960 NBQTYIUACFGSRP-AWEZNQCLSA-N 405.524 1.688 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1conc1COC 1740897515 KEINGPMNMNUAEG-UHFFFAOYSA-N 421.461 1.997 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740948526 LHJVIWDEXSWEQN-UHFFFAOYSA-N 408.506 1.610 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1ccccc1 1740958588 REZDTJQSXOMUSR-QZTJIDSGSA-N 408.506 1.743 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nnc(C)s2)C1 1740970468 LUBICEXDBFDKOY-CQSZACIVSA-N 405.528 1.600 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1748347872 OCGHCBHWDVORJL-ZDUSSCGKSA-N 410.438 1.468 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1748684463 JWFDHVVFUHRCSO-IBGZPJMESA-N 424.549 1.788 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748721728 LKJHMCSAZSQVPG-UHFFFAOYSA-N 416.551 1.539 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(=O)(=O)CC 1748794454 XMLMVQCKNGJJSB-UHFFFAOYSA-N 409.943 1.921 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748812584 XFXUODZEYZUJQS-IKGGRYGDSA-N 417.535 1.573 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC(F)(F)C2)CC1 1748994043 AAEUPWIELPBKBY-INIZCTEOSA-N 406.481 1.591 30 10 HDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)N(C)C)CC1 1749293762 UPGBHKJTRFPCOI-UHFFFAOYSA-N 420.495 1.901 30 10 HDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)cc1 1751559318 AWQMKTISKMXDEN-JOCHJYFZSA-N 410.522 1.972 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)cs1 1751782248 CAUZCOSYHPZRGW-JMGYQRAPSA-N 422.580 1.910 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1760095738 XRUDETHPJAYTEA-INIZCTEOSA-N 410.522 1.819 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1760098420 SEZHJMNYTXZLOD-LSDHHAIUSA-N 417.535 1.524 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760161422 JRAVJGLVLCTUOS-INIZCTEOSA-N 409.556 1.446 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1760176186 AXIFSFQLWUCWNA-UHFFFAOYSA-N 415.519 1.063 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1760218548 JCGGPGVAJWPINN-QZTJIDSGSA-N 404.536 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1760227884 OVUVDOVSOKOTDY-SIKLNZKXSA-N 418.586 1.416 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2([S@@](C)=O)CC2)CC1 1760269257 CIIBEQGUWLPFON-GDLZYMKVSA-N 417.579 1.813 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1760455155 IZJIAFPKAFKWRN-HXUWFJFHSA-N 407.515 1.223 30 10 HDEE C=CCN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1760472455 KXRPYSWKNAMMDO-CZIZESTLSA-N 407.478 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1760522985 ITQYYWZNUSVOGV-UHFFFAOYSA-N 423.477 1.736 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760557811 WWUQNGMVLVDMIE-GOSISDBHSA-N 423.583 1.717 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1760566110 LNTWTDMPDGUINZ-OAHLLOKOSA-N 410.569 1.469 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1768670351 AQGNWCAWUNZOQD-ZWKOTPCHSA-N 410.478 1.169 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCCO 1768920442 YUFFUOJQPAQVQX-HXUWFJFHSA-N 403.458 1.718 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(C)CC1 1771222594 KHYDYSIVLOERQS-RTBURBONSA-N 420.558 1.853 30 10 HDEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1771502902 TYUWLXQYIQFZMH-AWEZNQCLSA-N 420.539 1.850 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)C1 1771527774 FHXOHMRYYQEOJF-JXFKEZNVSA-N 420.489 1.399 30 10 HDEE COCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccc(F)cc1 1850575471 DFZDAMKEXXFABN-UHFFFAOYSA-N 421.436 1.782 30 10 HDEE C=C1C[C@H]1COC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850609789 OLCBTMRWGIFZTH-ZDUSSCGKSA-N 403.460 1.083 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cccc(C)c2)CC1 1851074788 GYUXCUQEMSVNNI-IBGZPJMESA-N 423.604 1.563 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1851347744 MOEURRPEGLXGBN-AWEZNQCLSA-N 416.956 1.826 30 10 HDEE Cn1ncc(C#N)c1NC(=O)CSCC(=O)N1CCN(c2ccc(F)cc2)CC1 1851703772 VOXBSUVHFIYOBA-UHFFFAOYSA-N 416.482 1.451 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(CCn2ncccc2=O)CC1 1853057105 VRRGIGVHJSVDOG-UHFFFAOYSA-N 416.913 1.576 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1853333631 QTOIEFMAZGSZRO-ICSRJNTNSA-N 413.474 1.216 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1853747073 QHAGOYREHNBGRW-GOSISDBHSA-N 403.504 1.604 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2C(F)F)C1=O 1853828461 MNYAMJBRDOEJPQ-KGLIPLIRSA-N 409.437 1.208 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(F)c3)C2)cc1 1854402025 WVECECLCUWVXQZ-GOSISDBHSA-N 404.419 1.929 30 10 HDEE C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)C1 1854634994 VLKPYOUKIWVCCB-QGZVFWFLSA-N 410.518 1.809 30 10 HDEE CN(C)c1cccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1855319890 CPUDJBZQRSBBNF-QGZVFWFLSA-N 401.444 1.786 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccn(C)n2)CC1 1855574959 ZCBWKQUFIDGKJZ-UHFFFAOYSA-N 414.487 1.880 30 10 HDEE Cc1ccc2nc(CN3CCC([C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)cc(=O)n2c1 1855621670 JGJWICRUQRTESA-KRWDZBQOSA-N 407.474 1.504 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc(OC)c2C)C1=O 1856735009 CJCRLANOFNYMPX-IAGOWNOFSA-N 400.479 1.249 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3c(CC)nc4c3CCCC4)C(=O)C2)C1 1856828144 NWDRAWRUDYKORO-GOSISDBHSA-N 413.566 1.646 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CCC(F)(F)C3)C2)CC1 1857063107 WOFRXYYXEZLMKR-ZFWWWQNUSA-N 417.478 1.752 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857108761 ANKHPWSHWQBUJG-GOSISDBHSA-N 409.446 1.381 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)CC1=O 1857137915 WFQGAXKOSVUPOT-HNNXBMFYSA-N 411.441 1.302 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2cccc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857236541 HXECCHAZFZZMJU-QFBILLFUSA-N 415.490 1.168 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCOC[C@H]3c3cccnc3)C2=O)ccn1 1857330287 SJLPSWBTEZSCHG-UXHICEINSA-N 405.458 1.943 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC(C)(C)CO)c(C(=O)OCC)c1C 1860761586 ZJSJGJVXKCDJPA-UHFFFAOYSA-N 412.464 1.402 30 10 HDEE CCCCCCCCC(=O)Nc1nc(N(C)CCO)nn1[C@@H]1CCS(=O)(=O)C1 1870029829 SOSFLCMQVAYAHW-OAHLLOKOSA-N 415.560 1.755 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccccc2C)[nH]1 1871480198 OOZXTKQLRJTZRI-UHFFFAOYSA-N 409.538 1.690 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622140 BQJVMMLTUUTTRO-GASCZTMLSA-N 411.510 1.937 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(OC)cc(OC)c2)CC1=O 1872972358 SYNBBTOTDZFSAN-VFNWGFHPSA-N 410.474 1.936 30 10 HDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccccc4)CC3)ncnc21 1873595639 LLVNKJBBNUNXEK-UHFFFAOYSA-N 406.490 1.666 30 10 HDEE N#Cc1cccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1F 1882497389 IYRXPYNYOJGSFW-INIZCTEOSA-N 420.418 1.992 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc4ccccc4n3)CC2)CC1 1889513861 HTYURBIKBXAJRC-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)CC2)nn1 1891197503 HSDOMZSHPTYCDW-QGZVFWFLSA-N 407.478 1.733 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1965775403 HJOJANRGEQFSJC-SFHVURJKSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2118167204 AMCAPXSKFNQCIW-YDBLSZJJSA-N 406.530 1.041 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CS(=O)(=O)N1CCOCC1)NCCC 2145729614 IELLSMQAGQKFCI-HZPDHXFCSA-N 405.561 1.486 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174783113 YIPFVLWASAUWJB-CABCVRRESA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CNS(=O)(=O)N2CC(C#N)C2)C(F)(F)CC1 2174788999 LIUYGWFQMFCKSZ-CYBMUJFWSA-N 408.471 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174789080 MJQLBWJWGNBSNG-AWEZNQCLSA-N 405.492 1.431 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2217452706 BLSWQFHRSBEFJI-OAHLLOKOSA-N 419.331 1.799 30 10 HDEE CCCN[C@@H](C#CP(C)(C)=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2225388669 JSHNOFXWRAEAOD-GJZGRUSLSA-N 406.485 1.876 30 10 HDEE CCS(=O)(=O)CNC(=O)N[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2233879504 OSLJBOMLTXRYCW-NSHDSACASA-N 402.347 1.800 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2244923757 ZJVVSOMCOOAKRO-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE Cc1c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825358 CGMCNSMXZFPUFQ-STQMWFEESA-N 420.319 1.423 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2247826230 QGINDLPZGYNPFA-VQFNDLOPSA-N 408.311 1.569 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2247929236 KJHJRLCOZSLEGR-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CCC2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282320983 PZOLEBFRYRHORQ-UHFFFAOYSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCCCN3)s2)OC1(C)C 2282332216 XSGBMAOVYPHCRT-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)O 2282335194 MDTOGLYKICBYNF-SJKOYZFVSA-N 401.359 1.829 30 10 HDEE CN(C1(CCO)CCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335276 NJSZWYYEEZAOOZ-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE C[C@H]1CNCC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282340900 LGETXXLGPSNGLN-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCC2CNC2)OC1(C)C 2282408047 FFOSGKRGGAIGDZ-UHFFFAOYSA-N 400.375 1.466 30 10 HDEE COC(=O)C(C)(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282415858 NKDLSFKCNQIWLH-UHFFFAOYSA-N 403.331 1.525 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](N)[C@H](C(F)F)C2)OC1(C)C 2282488593 CUSVROHFQRPNQK-MWLCHTKSSA-N 408.301 1.260 30 10 HDEE Cc1nc(C(=O)N=[S@@](C)(=O)CCCCN)c(B2OC(C)(C)C(C)(C)O2)s1 2282512879 LIGSFUDVJGJCKQ-SANMLTNESA-N 401.363 1.728 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282517636 BSNNPUHUMGPKCL-RHSMWYFYSA-N 402.300 1.994 30 10 HDEE CC[C@H]1CNCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852960 WUTSXZUJNHLKIF-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN(C[C@@]1(F)CCOC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853761 INMPUAZAYZNNBH-INIZCTEOSA-N 405.322 1.796 30 10 HDEE CC[C@@H]1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282855386 CXCFZHZEJBLADN-OLZOCXBDSA-N 400.375 1.856 30 10 HDEE CN([C@H](CCO)C(F)F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858497 XZJITOGPWBRHBZ-SNVBAGLBSA-N 411.301 1.684 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)[C@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2282871294 DWBBDGNWGUFZCO-MNOVXSKESA-N 403.375 1.959 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CN 2282876313 BEXXGSWSGZHDLH-SJKOYZFVSA-N 400.375 1.653 30 10 HDEE C[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284394845 DISQGPAOQFLEDY-QWRGUYRKSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CC(=O)O)CC2CC2)OC1(C)C 2284398752 BLLSNEIZCJZBDW-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)C[C@@H](C#N)C(C)C)C1 2289590614 VZQDDNJLQMWRJU-XHSDSOJGSA-N 403.545 1.974 30 10 HDEE C[C@@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2295339019 CMOAUCZYEWPKAN-CQSZACIVSA-N 423.340 1.872 30 10 HDEE N#Cc1nc(C=C2SC(=S)N(C[C@H]3CCCO3)C2=O)oc1N1CCOCC1 2296851804 IQHXSPOPTGJIMU-LLVKDONJSA-N 406.489 1.763 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccco2)cc1OC 2326736290 UMPBHOUUFCGLDY-UHFFFAOYSA-N 401.448 1.939 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365192663 DAJFFJDEQKMJMB-LSDHHAIUSA-N 403.541 1.979 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365214922 FPTQLILYFVGURD-SPYBWZPUSA-N 400.541 1.414 30 10 HDEE CCN[C@@H](C#Cc1cnn(C)c1)[C@@H](O)c1ncc(I)s1 2366153997 WTHJHRQJNWMGEW-CMPLNLGQSA-N 402.261 1.544 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367796052 OVAMUSQLUDBCNQ-INIZCTEOSA-N 401.525 1.592 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367803856 NVVVVDIQPOFYTK-ARFHVFGLSA-N 400.541 1.556 30 10 HDEE C[C@H](CN(C)C)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2379827662 YUEFDSBCURVPQK-CYBMUJFWSA-N 402.391 1.759 30 10 HDEE C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 12057844 NTTCCAPAUQRCPU-SNVBAGLBSA-N 414.809 1.225 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C 23636393 JMHJQXGDNRBOJH-NWDGAFQWSA-N 419.434 1.467 30 10 HDEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 33583628 IIPGVTCJQKQJJU-KKHYBRAUSA-N 409.442 1.985 30 10 HDEE O=C1C=CC(=c2ccc(=C3C=C(Nc4ccc(CNC5CC5)cc4)NN3)cc2)C(O)=C1 36435555 BYFCMDWKTJJQGR-UHFFFAOYSA-N 412.493 1.840 30 10 HDEE N#Cc1ccc(N2C(=O)C(c3cccs3)=C(N3CCN(CCO)CC3)C2=O)cc1 170024182 LLZKMBFNDLHFSK-UHFFFAOYSA-N 408.483 1.514 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 301340172 FIHHYPNRUPWBDM-UHFFFAOYSA-N 423.498 1.578 30 10 HDEE CC(C)(C)OC(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1C#N)C1CNC1 382044067 JVBCVCYOVFQMNO-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1C(=O)Cc1cccc(Cl)c1 409768133 NGLDCKYQYAYRGR-ZIAGYGMSSA-N 400.870 1.666 30 10 HDEE Cc1ccsc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 462447629 XLIAWMJJCXDPRZ-UHFFFAOYSA-N 411.530 1.623 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 464398927 MZGKCYGSPWDSPS-CWLKWCNXSA-N 403.431 1.825 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCN(c3nccn(C)c3=O)CC2)c1C 466742033 WEDFFNUZYXCQHU-UHFFFAOYSA-N 408.506 1.466 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(-n4ccnn4)cc3)CC2)c1C#N 472065960 OWMLODMUKABEHN-HNNXBMFYSA-N 419.493 1.774 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 486657666 YYHBVAVYSJYOPL-LMKMVOKYSA-N 412.924 1.922 30 10 HDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)cc1 489426623 BEXGJFWADFUIJV-SFHVURJKSA-N 400.460 1.350 30 10 HDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507289055 CWBUWMZHJCCZQH-KKSFZXQISA-N 406.527 1.403 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508841425 RAYRGJLOTYNANF-KRWDZBQOSA-N 406.494 1.895 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 514183924 YTBQWRNHCRVCKW-IRXDYDNUSA-N 402.520 1.137 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2nn(C(C)C)cc2C#N)c1OC 536767393 PSFQMMDZADBCSS-UHFFFAOYSA-N 408.436 1.940 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(=O)N(C)C 586828003 GENSZIQWGWHFIZ-UHFFFAOYSA-N 411.527 1.506 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cn1 609641121 USLRNTOZNJKQFQ-UHFFFAOYSA-N 414.472 1.105 30 10 HDEE COCCN(CCC#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 610491837 MLZXZUGJSLQGEB-UHFFFAOYSA-N 408.252 1.824 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)CC2 610590344 RZCKIVFPUKSDMW-UHFFFAOYSA-N 412.393 1.901 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 611545155 UHOLYCTXQBPHBB-UHFFFAOYSA-N 424.519 1.583 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)c1cnc(N2CCCCC2)s1 741340523 DREHDNZWOJCXHM-ISLYRVAYSA-N 418.475 1.776 30 10 HDEE C#C[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 744180462 MVUOVUDCMNXSHE-NSHDSACASA-N 402.266 1.649 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 746977057 GMSXFYGRMYQWPF-UHFFFAOYSA-N 416.455 1.945 30 10 HDEE C#CCN(C(=O)c1cc(O)nc2c(Br)cccc12)[C@@H]1CCS(=O)(=O)C1 749920233 NUHOIIVDLGMGGE-LLVKDONJSA-N 423.288 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@@H](C#N)C1 752002217 NATOQAXUIRUGAO-HNNXBMFYSA-N 410.452 1.869 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 752235488 NDPGYYDNJMDARU-NSHDSACASA-N 406.869 1.368 30 10 HDEE CCc1c(C(=O)OCCOc2ccccc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 754348977 XXDCIKUBINLKMY-UHFFFAOYSA-N 408.414 1.302 30 10 HDEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)C1CCCC1 760197046 XJLYCFOZYXSUHA-UHFFFAOYSA-N 406.504 1.862 30 10 HDEE CC(C)NC(=O)c1ccccc1NC(=O)CN1CCN(c2cccc(C#N)n2)CC1 760913273 NYJCYMCXHHHVKF-UHFFFAOYSA-N 406.490 1.852 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnc(-c2cnn(C)c2)s1 766985868 IKCKQBRFXAYVTJ-UHFFFAOYSA-N 403.445 1.543 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)n1 790105396 YQQYLCZEVQLABH-FQEVSTJZSA-N 422.485 1.812 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 790549209 LUTBGBYGLZVCIZ-ROUUACIJSA-N 407.455 1.986 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC([C@H]3CCOC3)C2)c1 791766639 BPLNXYMKNOSVSN-IKRFMFEDSA-N 406.508 2.000 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 796132959 QNFXSDBLXMFVGB-PKOBYXMFSA-N 406.552 1.986 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 796491455 GSQXUGGCSLDGEK-HUUCEWRRSA-N 414.462 1.088 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H](C)C(=O)NCCF)C1=O 799861852 LWFQNNVQBKMAPZ-RISCZKNCSA-N 405.455 1.100 30 10 HDEE C#CCN(C(=O)NCCCNC(=O)/C=C\c1ccccc1)[C@@H]1CCS(=O)(=O)C1 800760154 XNSYZTGAPFYJEA-HJCTWCACSA-N 403.504 1.038 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2COC)[C@H]1CCS(=O)(=O)C1 801790730 XPZBYRWWQMGEQX-INIZCTEOSA-N 405.476 1.224 30 10 HDEE CC(C)N(CC(=O)N1CCCCCC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806781802 RRINLZXFMCCQFT-HNENSFHCSA-N 405.499 1.335 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(C(C)=O)C1 816638745 WNGIIKSFBFNDLW-RDJZCZTQSA-N 420.535 1.269 30 10 HDEE COc1cc(C=NNC(N)=S)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 1084345329 ZVYIWTTWRPZBRE-UHFFFAOYSA-N 410.433 1.538 30 10 HDEE CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)C(=Nc2ccc(C(=O)OCC)cc2)S1 1084560035 SZKGGYLPHINHCX-AWEZNQCLSA-N 421.475 1.494 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@H](C1)C2O 1116100514 ODCFJFKTRWYVOF-NVYBPEMASA-N 419.547 1.903 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(-c4noc(C(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1134428999 KNUINPNMZLBFKX-YVEFUNNKSA-N 408.386 1.685 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(CC(F)F)CC2)s1 1141644010 GGCYRPRBHMMVSV-UHFFFAOYSA-N 421.535 1.848 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCCC1 1144681527 BIZFGWQDBPUOQB-UHFFFAOYSA-N 400.298 1.928 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)CNc3ccc(C#N)cc3)C2)nn1 1153254377 UPIAHNYPUMTDIO-UHFFFAOYSA-N 411.466 1.670 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)ccc1F 1157232807 GBQCWCFLQZMWDG-MRVPVSSYSA-N 421.376 1.918 30 10 HDEE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N[C@H]1CCCN(O)C1=O 1159642172 UPKCBFNZWIYEFP-INIZCTEOSA-N 424.486 1.918 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 1163736889 FHMXXPUKWZQVRH-HIFRSBDPSA-N 404.410 1.828 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC12CCN(C)CC2 1180813175 MWDMRSHCFUTXQA-KRWDZBQOSA-N 418.563 1.981 30 10 HDEE N#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1197629023 ACMZQPDFLYTKRP-OAHLLOKOSA-N 410.927 1.408 30 10 HDEE Cc1ccc(NC(=O)CN2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCCCC1 1198211224 RBQWLZPYPJBHIG-HXUWFJFHSA-N 420.535 1.723 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1214056954 PRMBAMVCZYODSY-HIFRSBDPSA-N 407.435 1.798 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1225031628 UPLWMVHPSGNQCO-SCTDSRPQSA-N 423.535 1.534 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 1226925302 HESLMGQZQUDOKQ-AWEZNQCLSA-N 401.554 1.395 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1230086525 OQRXUDMNRKBKQC-UHFFFAOYSA-N 408.483 1.756 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)NC(C)C)CC1)c1ccc(Br)cc1 1230499262 SXPVDAGWZXGGRM-KRWDZBQOSA-N 421.339 1.975 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1C#N 1264225716 FEHVWLYOWOKSEJ-UHFFFAOYSA-N 421.425 1.992 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1264351247 VCPUQBJQSXLODW-VGVSSDJJSA-N 402.476 1.705 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3ccccc3NC2=O)cc1 1277685815 MVGCECODLRICHU-GOSISDBHSA-N 412.471 1.562 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN(C)S(=O)(=O)CC 1286300089 MJAGZNOWUCLSMM-CQSZACIVSA-N 424.596 1.763 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286311979 PGWRWZOGTUMDCL-KDURUIRLSA-N 416.570 1.863 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1conc1COC 1286402548 FZTIQZHSQMCGIR-UHFFFAOYSA-N 405.414 1.929 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C 1286450862 ZXXDYXZGFCRCCR-IFXJQAMLSA-N 403.508 1.269 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H]1OC 1286460884 KZRJRASNUWPJIG-DLBZAZTESA-N 412.494 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCSC2)CC1 1286473197 YQPQHYSNVRAISN-MSOLQXFVSA-N 407.584 1.901 30 10 HDEE COc1cc(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)ccc1C#N 1288469120 LXFSQPMHSBRDRV-UHFFFAOYSA-N 400.435 1.128 30 10 HDEE CCCCOc1ccc([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1291658432 GSJFOJZOSIBFQU-ZDUSSCGKSA-N 400.435 1.885 30 10 HDEE O=C(NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cccc(C#CCO)c1 1295197881 IBNDQPHHIMZPID-FCHUYYIVSA-N 403.482 1.359 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCNS(C)(=O)=O)cc1 1299991951 GJQSPYQABRQRPR-AWEZNQCLSA-N 406.512 1.631 30 10 HDEE CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1300000759 PLEIABQRVIYVLI-HOCLYGCPSA-N 411.455 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1300274683 YMQJJXGJNYUMMJ-SDDRHHMPSA-N 411.450 1.314 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@](=O)CC 1300569065 AUDUSVHAKUVULW-GDLZYMKVSA-N 412.515 1.948 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1OC 1300621023 JQFGPNVJVSBBFL-PBHICJAKSA-N 401.467 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300722013 FUWLHRRHBZLRFP-ZHRRBRCNSA-N 415.538 1.441 30 10 HDEE COCCOCCN(CCO)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1300827683 BQHIUDDJSMBMDH-OAHLLOKOSA-N 409.870 1.048 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNc2ccccn2)CC1 1301065959 LAXCVKSZELAOGL-INIZCTEOSA-N 419.555 1.942 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1301412964 MMZNXYUCDZLGCK-GOSISDBHSA-N 415.494 1.817 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CC1CCS(=O)(=O)CC1 1301420977 MQCPJKPALWEPSY-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C 1301485097 QUMHCTXRPUZYNB-AWEZNQCLSA-N 403.508 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301491574 LLEZZFIGQSSTNQ-GOSISDBHSA-N 410.522 1.406 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1301506343 JEVDJIAXHGOCIE-UHFFFAOYSA-N 400.502 1.841 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCSC1 1301510411 XEEPREJFVXMYTN-ZDUSSCGKSA-N 420.564 1.514 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](C(N)=O)C2)cc1 1301519970 ALUKWLLXUKHCAV-INIZCTEOSA-N 412.494 1.341 30 10 HDEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301622632 MVIFMTWPYKPDHP-MRXNPFEDSA-N 410.482 1.138 30 10 HDEE N#Cc1ccc(CN2CCN(c3nnc(C4CC4)n3CCOCCCO)CC2)cc1 1302991683 KQNIVESBRWCUNE-UHFFFAOYSA-N 410.522 1.748 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1305551047 RXIKVYCMDISBMK-RBUKOAKNSA-N 403.575 1.938 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(Cc3cncc(C#N)c3)CC2)c([N+](=O)[O-])c1 1307558112 AQHHVNBYFCXGGH-UHFFFAOYSA-N 401.448 1.587 30 10 HDEE CCOC(=O)c1nc(N)nc(N2CCN(CC#Cc3ccccc3Cl)CC2)n1 1308131667 HXHHWVFJUNTQBE-UHFFFAOYSA-N 400.870 1.458 30 10 HDEE CN(C)CCOCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314672434 PIZCFPLNLFVDAI-FQEVSTJZSA-N 424.553 1.019 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)C[C@H]21 1316302902 UOEGUMAEJLDFDM-XUVXKRRUSA-N 411.506 1.934 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCCCCO)cc1 1316534056 NBYCFOKCVVQRLC-MJGOQNOKSA-N 424.505 1.606 30 10 HDEE C=CC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1320419712 HMSKNZQSQCUGOT-VFNWGFHPSA-N 417.462 1.395 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CCOC)C1 1340439486 IEHMDQUPQSSOBE-INIZCTEOSA-N 406.508 1.776 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1355811556 DTSJQGYUDJKVON-UXHICEINSA-N 421.501 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1358871027 YXSOSUJOUHURPF-HJFSHJIFSA-N 402.524 1.931 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc2n1CCCCC2 1358937934 LLZJRKHOEHYVAV-UHFFFAOYSA-N 419.493 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOC(C)C 1358994376 LQYRYQCJYVPWLR-SFHVURJKSA-N 406.552 1.848 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(F)c2)CC1 1359031260 VWAKSGSHGZZRIV-QFIPXVFZSA-N 413.497 1.873 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359131172 JYVAEORRUOOGBK-IEBWSBKVSA-N 413.526 1.485 30 10 HDEE C=C(Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1359141216 ZRSIPIDUXOYQEN-QGZVFWFLSA-N 405.524 1.828 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359666867 DMQXMYCFKFEXSP-SQGPQFPESA-N 406.506 1.928 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N(C)C)CCOC1 1360335815 JQTLFBCDSKHCBI-FQEVSTJZSA-N 404.515 1.537 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CC2)nc1 1435012088 GRSKTBRBQDGITP-QHCPKHFHSA-N 403.486 1.886 30 10 HDEE CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1439796660 NRRFEQAROAFYRO-XTDOFWJNSA-N 411.524 1.419 30 10 HDEE CC(C)(O)C1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1441006065 BPYDRWBPDKNGED-UHFFFAOYSA-N 419.547 1.968 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)ncc1C#N 1442524991 RAIGYSBYVIXRME-OAHLLOKOSA-N 415.494 1.755 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 1443911243 MAYWZNNZBSAGRR-CQSZACIVSA-N 401.529 1.340 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1443919491 NKYHOKNJNGVJEH-UHFFFAOYSA-N 419.485 1.705 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCCCCNC(=O)CC1 1454615765 AKNGPMRXWJCUFE-OAHLLOKOSA-N 406.508 1.134 30 10 HDEE C[C@]1(c2ccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2)NC(=O)NC1=O 1456477916 RPJIPGDPNPNIIU-XMSQKQJNSA-N 404.426 1.827 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1464302504 OKARQTFATIICKI-SFHVURJKSA-N 424.544 1.404 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1465925940 AKEHQLQNJMORLM-UHFFFAOYSA-N 401.435 1.161 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)C1=O 1467532812 VUADPXGDGFCDPX-IRXDYDNUSA-N 402.495 1.763 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1470104099 RCQIXZREKGBHIC-SQNIBIBYSA-N 403.479 1.838 30 10 HDEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1471122973 BNQQUMGIKUHRDC-CYBMUJFWSA-N 404.282 1.847 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1 1471929672 ONONIKHZNBQIET-MZRZTIOWSA-N 406.504 1.301 30 10 HDEE Cc1ccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)cc1S(=O)(=O)NCC#N 1471986905 JNWLISPTWVMFEY-QGZVFWFLSA-N 421.519 1.191 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 1472305179 HAXWNAQSNRQCNM-CGTJXYLNSA-N 405.520 1.890 30 10 HDEE N#Cc1cnc(N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c([N+](=O)[O-])c1 1472782559 ZVNVSURPNFKJMB-OCCSQVGLSA-N 413.356 1.914 30 10 HDEE CCCCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1500438993 YJZDRRFEJAWJHL-UFOSLELVSA-N 415.498 1.382 30 10 HDEE Cn1ncc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)n1 1503692643 SVILJUCYPSDEGT-OAHLLOKOSA-N 413.873 1.484 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507634215 XDYWCVXLGUHTAT-SQNIBIBYSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1507642489 VUPJRDPTOAEBJM-OPYAIIAOSA-N 402.495 1.055 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)OC 1507653590 RWGWWHPYQKGDCM-INIZCTEOSA-N 404.474 1.783 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCNS(C)(=O)=O 1507701160 YBQXXZQEBJCXDQ-UHFFFAOYSA-N 416.482 1.601 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCN(C)C1 1507710278 LYASJKNXXISIRD-QFIPXVFZSA-N 408.506 1.579 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nccs2)CC1 1507716968 XKRSMJWIUCJSDK-UHFFFAOYSA-N 401.540 1.457 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507723193 YYJHMCUJAKTVLH-LJQANCHMSA-N 406.534 1.923 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1507772405 KEHAOQYLDWWOPT-RDTXWAMCSA-N 405.549 1.986 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1507798309 NUOOOMHBVFHIDM-ILOCAZANSA-N 424.567 1.775 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507865579 DGCFZSYIYJTPMQ-HUUCEWRRSA-N 421.933 1.799 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507984105 UBZYNPKKAQHIHJ-OAHLLOKOSA-N 411.528 1.281 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1508079858 FMYYNTIBTHDGDW-UHFFFAOYSA-N 411.510 1.414 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCCn2ccc(C(=O)OC)n2)cc1 1515902070 MHMANLUWYJBVID-UHFFFAOYSA-N 420.491 1.895 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)O 1519162027 BYDYEBFWRRBCIL-UHFFFAOYSA-N 411.466 1.731 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1520582717 GMCQTWLSLZAONL-CJNGLKHVSA-N 413.293 1.787 30 10 HDEE Cc1nn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n1C 1538726983 OFJKZJWVQYLXQO-YUMQZZPRSA-N 422.276 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cc(C)no2)CC1 1539484495 RBOCBYAWDZZWBV-UHFFFAOYSA-N 419.489 1.574 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1539514389 YVIHHITXIDCBHU-MRXNPFEDSA-N 410.551 1.848 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1539668147 UGKDSDPVPPTOQW-IBGZPJMESA-N 417.602 1.905 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1539758941 CIRBHYDWBMPGSD-UZLBHIALSA-N 407.515 1.238 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC(N)=O)c2)CC1 1539853878 DXGIYEUJRLKRKT-UHFFFAOYSA-N 424.505 1.469 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 1543095296 NGDHTUTVHYFFPD-HNNXBMFYSA-N 403.508 1.913 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1544896794 LAUNGVHIWJZRIM-HRAATJIYSA-N 412.446 1.611 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCn3ccnc3C2)CCOC1 1547861092 SMCCDMUYGLLSRN-CBGDNZLLSA-N 413.526 1.985 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@@H]1CCOC1 1552914383 YUHDWUOJVINPJD-GOSISDBHSA-N 410.478 1.291 30 10 HDEE COc1ccncc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555120346 AUWMGORGMDFMPL-AWEZNQCLSA-N 405.466 1.415 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(F)F)CC1 1555991447 UICMLULKFWZMPW-UHFFFAOYSA-N 405.409 1.947 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1565008897 GAZCELSUVJCKIG-LLVKDONJSA-N 415.468 1.205 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc1ccc(C(=O)NO)cc1)c1cnn(C)c1 1568181301 PEWGJJDFSVFCHH-MRXNPFEDSA-N 417.466 1.764 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Cl)c(Br)cc2F)c(=O)nc1O 1585295357 FHVDVVFSBALBCR-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21 1585296921 NSVRSBOVSQBWQC-GFGJIJNHSA-N 416.275 1.977 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1587663507 YYGHUGSUYBXSGZ-MRXNPFEDSA-N 407.526 1.964 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1587702115 NZXXJJVBRYBIFD-UHFFFAOYSA-N 417.558 1.850 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1 1587714232 SCWZRALPFOOBNR-UHFFFAOYSA-N 404.444 1.243 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1588073751 DBBGZIIAZXLXRS-ZWKOTPCHSA-N 423.583 1.488 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](n3nncc3I)C2)ncc1C#N 1588403763 LNNQDNGTMYZRJY-GFCCVEGCSA-N 422.230 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C1CC1 1588629097 XNHUCJGYKAHUGR-FQEVSTJZSA-N 401.467 1.253 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](OC)C(F)(F)F)CC1 1588732837 HLTQCEWSPKIKLH-AWEZNQCLSA-N 416.448 1.139 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2nccs2)CC1 1588946658 GWFBCDMMWFSYQU-UHFFFAOYSA-N 421.530 1.735 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)COCCO2)C1 1595745642 UQYXMXCEBNGYNF-WIYYLYMNSA-N 416.526 1.727 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1596752180 QDUHQZVAQYNTNZ-HXUWFJFHSA-N 411.441 1.697 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CCN(CC#N)CC2)c1I 1618030047 RLZRKIPXQWQIBT-UHFFFAOYSA-N 401.252 1.524 30 10 HDEE CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1618410894 LWKAGBRYGXBVKT-OAHLLOKOSA-N 424.498 1.198 30 10 HDEE Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)n1 1618486494 BRNVUYZKHUUORL-GOSISDBHSA-N 403.450 1.307 30 10 HDEE C#CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 1627335078 RYPUWOHNVJTLOL-QWHCGFSZSA-N 423.482 1.367 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)[C@H]2C[C@H]21 1631463738 QMSHVMQXDFECTB-XWTMOSNGSA-N 406.527 1.610 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)cn2)cc1 1632569802 AGAPJLWJDIVSNL-FQEVSTJZSA-N 421.432 1.600 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C3CCOCC3)CC2)s1 1635054747 NBEXSEBQMQPJDG-UHFFFAOYSA-N 413.565 1.078 30 10 HDEE COc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1637460722 XLLISMMBIHRANY-MRXNPFEDSA-N 419.459 1.524 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C1CCN(C)CC1 1639164848 ATNXYMNQCSJNNN-UHFFFAOYSA-N 418.346 1.828 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)CCc3ccccc32)cc1 1640666844 HFDKJHJRDSVUSZ-NRFANRHFSA-N 413.499 1.485 30 10 HDEE CN(C)C(=O)Cc1nc(Cn2cc(C#N)c(I)n2)cs1 1641225915 DIKTTYHLYTVMCL-UHFFFAOYSA-N 401.233 1.495 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1641698597 NYSYMMRRYFOCKS-NRFANRHFSA-N 415.494 1.364 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1643304119 DAXGGMJJDXXTOM-YGRLFVJLSA-N 415.397 1.378 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)Cc1ccc(F)cc1 1644836056 MPFBSSKDVBPVRB-DYVFJYSZSA-N 405.451 1.084 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN1C1CCCCC1 1645537517 YDMFBISPGJISQZ-INIZCTEOSA-N 404.536 1.638 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3cn(CCCC#N)c4ccccc34)C2)cc1=O 1647909594 JUGMAFAQTLMJOJ-HNNXBMFYSA-N 420.473 1.753 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293502 GUWKSVZUDYUFPW-CQSZACIVSA-N 407.540 1.932 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1649560591 GNEHERQISNVGNP-PEGYKEAPSA-N 415.519 1.865 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2Cl)CC1 1650846397 VHHIUHQGYORADI-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE C#CCC1(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CCCCC1 1652528214 NVLAVOSJHACEHI-UHFFFAOYSA-N 405.520 1.509 30 10 HDEE CC(C)N(CCCNC(=O)Cn1cc(C#N)c2ccsc2c1=O)S(C)(=O)=O 1656808745 NIILCWQGKKDHFF-UHFFFAOYSA-N 410.521 1.111 30 10 HDEE CN1CCCC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O 1659694438 JDARBDOFEDETRV-VQTJNVASSA-N 415.513 1.477 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](O)C1 1665645152 AWVHJRBNLYGYGA-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE COCCC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1672399083 DZSBQLGCOGBJEZ-CMKODMSKSA-N 405.520 1.604 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2cccc(Br)c2)nn1 1673802732 ROWBXLWWTMEIGY-CQSZACIVSA-N 408.300 1.877 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 1680847709 BTKXCVNAQWHXSD-SJLPKXTDSA-N 408.499 1.257 30 10 HDEE CC(=O)N1CCC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1682364433 BFKVLVRJTOEEBH-UHFFFAOYSA-N 421.505 1.791 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1689961328 TVHGKBHGSLVJRX-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1csc([C@H](C)OC)n1 1690099634 FZSQHEMLLXXZAD-AWEZNQCLSA-N 415.523 1.977 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N[C@@H](C)CC)CC1 1690123955 ANLPXHXGJCGCSU-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@H](O)C2)CC1 1690152694 UYOANTJNBCEQEY-WMZOPIPTSA-N 403.527 1.332 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)OC)C1 1690220012 PPWLOVQWDNGLFI-CHWSQXEVSA-N 417.304 1.910 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690674863 IIZKRKOPUVIUTO-MJGOQNOKSA-N 413.522 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1690725432 PPJPCAVRMHZLNE-AWEZNQCLSA-N 424.527 1.526 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1692665753 YWBNRDWRKQSCON-JSGCOSHPSA-N 401.496 1.657 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)C1 1692851270 DIEPRLZPGLNUAB-SFHVURJKSA-N 418.523 1.343 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1693866562 GGESBHWFQHHNFR-HUUCEWRRSA-N 415.498 1.465 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC[C@@H]1C 1697679057 VNIXZTHGARFPPJ-QFBILLFUSA-N 424.505 1.537 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CCO1 1697888381 FAHDIXCGTKNKGT-UQASEVPWSA-N 413.478 1.208 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1705523528 RKODPDQFCOOEMS-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705524625 PYLYPKYPCIZMAD-HNAYVOBHSA-N 411.572 1.943 30 10 HDEE C#CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1705539417 QHWPJRIWORCQQX-NRFANRHFSA-N 413.526 1.404 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCC(=O)N2CCCCC2)n1 1705631985 UHBFMEHTORKOFV-UHFFFAOYSA-N 413.526 1.472 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCn2cc(Br)cn2)CC1 1705641885 YAEWHSRQWQXJAX-UHFFFAOYSA-N 418.343 1.645 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705663029 UCRDCHWAIOWEOZ-SJORKVTESA-N 412.519 1.565 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1705663203 ZIHIKNAPODASMO-QGZVFWFLSA-N 407.503 1.612 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)CC(C)(C)C1 1705927548 ANCDLYFZCAWCPM-HNNXBMFYSA-N 411.572 1.890 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cn[nH]c2)CCOC1 1706672349 MPKFBRYGHQNCQU-RTBURBONSA-N 403.462 1.726 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@H](C)C1 1707911261 FPGDFLDFMOICIL-IRXDYDNUSA-N 409.542 1.695 30 10 HDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1710829882 LWVWGNSIVUPLOY-GOSISDBHSA-N 423.521 1.854 30 10 HDEE CN(CC1CCCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711140913 AVKMBHOWZNAPLP-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1cc[nH]n1 1711943486 DKFRDUKFAVOUJA-AWEZNQCLSA-N 408.466 1.703 30 10 HDEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712171536 LRYOQLFPQVDRNR-MRXNPFEDSA-N 423.456 1.313 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1722294043 FPZQDKDRMGCRQA-WMZOPIPTSA-N 424.530 1.872 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1722303659 QPXXUOXQGQMFLD-ZDUSSCGKSA-N 402.405 1.568 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722314627 BQWBLGDEAQNQML-BZSNNMDCSA-N 400.527 1.190 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722329542 CHMKUYDVQQAAGE-RXVVDRJESA-N 421.549 1.742 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(C)c1 1722342786 YHRVGIVIOHWFRG-HZPDHXFCSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)C(C)C 1722377182 RRHXXWNXCXBSKC-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN(C)S(=O)(=O)CC)CC1 1722430777 AHDUDPGDOYTJFZ-UHFFFAOYSA-N 410.588 1.002 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2=CCCOC2)CC1 1722442509 YIZAMEPREPAESL-UHFFFAOYSA-N 423.517 1.968 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(O)cc2)CC1 1722447677 LUKUGNYJDMXJQE-LJQANCHMSA-N 423.517 1.892 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N[C@H](C)CC 1722464408 FJKIDVXHPCQTEC-IIBYNOLFSA-N 400.527 1.811 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)CCOC 1722476171 NUUKFVUYYSBJBE-NHCUHLMSSA-N 400.527 1.919 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 1722559877 KWLUIPIPCHDAQZ-KRWDZBQOSA-N 421.571 1.948 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1722591583 PHGCUCHQWXSEQE-MRXNPFEDSA-N 415.542 1.826 30 10 HDEE CCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1727537559 VWZQDPFDAOKTDI-DLBZAZTESA-N 406.556 1.785 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1728672580 IIRJIOCGEYEPOR-UHFFFAOYSA-N 411.510 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1740550763 JQNVGJUEQSOYQA-WJPUGNRLSA-N 414.531 1.472 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(C)CC2)nc1 1740608488 GDRFYTPSQGADLC-GOSISDBHSA-N 407.522 1.978 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC=C 1740663868 ASBHDSNVVBIQIY-UHFFFAOYSA-N 401.492 1.110 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1740687961 JDJFCSQPKFHXFW-NRFANRHFSA-N 417.485 1.149 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnc(C)s2)CC1 1740699106 UNAIVOIXDALUJK-UHFFFAOYSA-N 410.551 1.708 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)CC1 1740762570 UXUHGQJHOJPINU-GGPKGHCWSA-N 416.570 1.988 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1740817386 CSPYFWRQFJUNCM-UHFFFAOYSA-N 417.602 1.846 30 10 HDEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCNS(C)(=O)=O)CC1 1740841631 SYKJCYFDEFDDHX-UHFFFAOYSA-N 419.551 1.851 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1ccccc1 1740958590 REZDTJQSXOMUSR-ZWKOTPCHSA-N 408.506 1.743 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1741134425 AIGRMLICSBKELX-MRXNPFEDSA-N 404.515 1.582 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1743265971 SKOCKAYFSOAYSV-MYDZZUQKSA-N 423.477 1.480 30 10 HDEE C#CCCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764803 WLLDRRJUUYGQRU-DYESRHJHSA-N 403.527 1.824 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1CCS(=O)(=O)C1 1748798700 GHWVDKWVCAVSBY-QGZVFWFLSA-N 402.520 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748839024 MKTGBOCOLKIDOE-HXUWFJFHSA-N 419.533 1.356 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1748842723 UASCPDYVYKHEQQ-UHFFFAOYSA-N 424.486 1.101 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(-n2cncn2)c1 1748948233 JCKZMCCGQABYFR-UHFFFAOYSA-N 422.493 1.131 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCCC2)CC1 1749010787 PYDMNBXUIGNDAE-UHFFFAOYSA-N 408.506 1.611 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749356321 NXHVCGGFVAFSHU-OWCLPIDISA-N 401.398 1.915 30 10 HDEE COCC1(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1749398045 WGKODVJTCABBKG-CVEARBPZSA-N 402.499 1.555 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749455394 URRJHLMRGILIRZ-SFHVURJKSA-N 413.526 1.486 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1749575522 SKNWFZVJQQJOGX-MRXNPFEDSA-N 409.556 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749738595 RIOCQRIPSJVGFG-HNNXBMFYSA-N 409.556 1.279 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749751306 PVKLVWLXTADXOJ-INIZCTEOSA-N 404.540 1.544 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760101970 CXZKYEYWXZTXQE-AWEZNQCLSA-N 415.519 1.333 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1760116896 KYLJPAAJWLMJAA-ZIAGYGMSSA-N 407.471 1.251 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760117930 VXJFXOOJABLQQC-GHHWKCCRSA-N 406.552 1.579 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760157863 FMXDVFIADRCTDV-QGZVFWFLSA-N 413.503 1.765 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCCC2)CCOCC1 1760179035 KETGLIAKJQCBQN-OALUTQOASA-N 417.554 1.717 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760187915 LWHLBNUCZSCAPU-KSZLIROESA-N 422.551 1.573 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C2CC2)CC1 1760257168 QHPIJUJMAWVRPW-VXKWHMMOSA-N 417.554 1.235 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760452309 KSSCPDAYZWCKHV-GOSISDBHSA-N 416.526 1.590 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C)C1CC1 1760470349 OIHORXYCIFLXGN-CQSZACIVSA-N 419.555 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H]1C 1760523303 SUDYJMHXFFDOGX-CQSZACIVSA-N 417.539 1.529 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2)C1 1760545455 UXUIHDAZWODESB-FGSXEWAUSA-N 411.506 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]2CCC[C@@H]21 1760549080 WGEXOZJXHLYDEG-CVEARBPZSA-N 409.556 1.786 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H]1CO 1760692905 FFZZQLHEDXTDMY-BRWVUGGUSA-N 403.531 1.062 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760853810 ZMGVZUUUUSRKTJ-DLBZAZTESA-N 424.461 1.703 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770790310 UCAGPRPCENWFRY-INIZCTEOSA-N 409.425 1.860 30 10 HDEE CS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1771366011 IDFFGQYQZSFLGY-INIZCTEOSA-N 410.544 1.589 30 10 HDEE O=C(CCc1ccc(S(=O)(=O)NC2CC2)cc1)ON1C(=O)c2ccccc2C1=O 1772792863 PRFFXOQSTYBOEI-UHFFFAOYSA-N 414.439 1.814 30 10 HDEE CN1C(=O)[C@H]2CN(C(=O)C3CCN(c4c(C#N)cnc5ccccc45)CC3)C[C@@H]2C1=O 1848518678 PUFJLDPKWQFAAX-ROUUACIJSA-N 417.469 1.396 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1 1849658332 NWAVOWIFTMNBHT-UHFFFAOYSA-N 410.405 1.219 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)NCC1CCN(c2ncccc2C#N)CC1 1850054183 NJGTXTBMOHMPAX-KRWDZBQOSA-N 405.524 1.100 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCCN3C(=O)c3cccnc3)CC2)n1 1851255827 MJKVPUPKSSOCNF-GOSISDBHSA-N 405.462 1.087 30 10 HDEE Cc1nn(C)c(C)c1CCCC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852670115 TXTDWTGQRXWYSV-UHFFFAOYSA-N 410.522 1.992 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)c1 1853192928 LKNGJIYQLYHEBH-UHFFFAOYSA-N 403.446 1.919 30 10 HDEE CN(C)CCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 1853404518 WUDPNGWJJCYFML-UHFFFAOYSA-N 402.476 1.400 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3ccccc3Br)C2)CC1=O 1854195148 BHDIQDHJAHWTHG-OAHLLOKOSA-N 405.296 1.608 30 10 HDEE COc1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)ncn1 1854427737 TWVOQLMVSKDUOK-UHFFFAOYSA-N 409.446 1.499 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN(C[C@H]4COCCO4)CC3)CC2=O)cc1 1854442597 UQQVMRSYXRTIPW-RTWAWAEBSA-N 411.502 1.603 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCCOc3ccccc3)C(C)(C)C2=O)CC1=O 1854445000 OBFNQBUITWISIC-GOSISDBHSA-N 413.518 1.939 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854797987 BNNLZAZIORBRIR-GOSISDBHSA-N 408.462 1.280 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1855507330 KFNFCLLEJVSCFO-QGZVFWFLSA-N 409.483 1.226 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855626565 LZAOFNWYBVWCAC-INIZCTEOSA-N 419.503 1.775 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C1 1856096502 KJGIDJTWONORDT-HZPDHXFCSA-N 404.536 1.780 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856496144 AVIDIOUVYBAXFH-STQMWFEESA-N 400.426 1.604 30 10 HDEE COc1c2ccc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)cc2nn1C 1856549450 YVOASTKZTWZJDJ-MAUKXSAKSA-N 407.474 1.949 30 10 HDEE CN(C)c1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856603299 NDXNFZHXYAPAGM-KRWDZBQOSA-N 420.491 1.279 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2onc3c2CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1856721815 KOYMWJWTHOUHEV-DLBZAZTESA-N 400.479 1.403 30 10 HDEE CCn1ccnc1CN1CC[C@H](N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)C1 1856838870 UTDGVEXGDXKRRT-IBGZPJMESA-N 406.490 1.334 30 10 HDEE Cc1cc(CC(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)no1 1857465000 JBKWSKGKIVLMCB-HNNXBMFYSA-N 409.446 1.321 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1857485823 RTFPHNYTVDFLHC-ZWKOTPCHSA-N 423.510 1.614 30 10 HDEE CC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3cccc(C#N)c3)c3ccccn23)CC1 1858242122 QMRGGHZXIBIYCB-UHFFFAOYSA-N 416.441 1.763 30 10 HDEE COc1ccc(CCNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858421771 DGJDNTWMIQAATJ-GOSISDBHSA-N 413.499 1.936 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862629086 NHMAWKKQKFZNEG-KRWDZBQOSA-N 411.366 1.684 30 10 HDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933411 GIPVSSIBEXYFEA-KBXCAEBGSA-N 420.535 1.269 30 10 HDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 1870148747 BLICQGHGJTVNEX-CYBMUJFWSA-N 409.450 1.683 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 1872945471 VHPOSDXBSVSTTQ-MRXNPFEDSA-N 415.490 1.598 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncnc(Cl)c2C#N)[C@@H](S(C)(=O)=O)C1 1877648941 UJLRTWPFLWGUGO-QWRGUYRKSA-N 401.876 1.446 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3conc3C3CC3)CC2)CC1 1889311755 ICZHMEPWOYPKCQ-UHFFFAOYSA-N 400.523 1.814 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985105069 NTLLAQRKQAVRGT-LBPRGKRZSA-N 406.292 1.875 30 10 HDEE O=C(O)C#CCNC(=O)c1ccc(Br)cc1I 2026089638 WIYNGIAZRIASQB-UHFFFAOYSA-N 407.989 1.872 30 10 HDEE O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)N1CCSC1=NCCc1ccccc1 2040436527 RCKSFFQLHFBSNY-CAMMJAKZSA-N 409.511 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCN=c2[nH]cnc(Cl)c2C#N)C1 2162418868 XPRAKEREGUUYOT-NSHDSACASA-N 415.903 1.260 30 10 HDEE CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)CCC#N 2174779077 FISOKDPHGYCYRW-UONOGXRCSA-N 403.501 1.398 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(=O)O)C1 2217477656 FZJLITKCRXFPEB-UHFFFAOYSA-N 420.271 1.834 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCNS(=O)(=O)c1ccc(C#N)s1 2233917403 VVQLGJAWQPZJLG-UHFFFAOYSA-N 419.525 1.456 30 10 HDEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247935951 QSYMZDDNWAGUHI-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE CC1(C)OB(c2occc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587583 RMGMKYJPUMNYCL-INIZCTEOSA-N 415.251 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)C2)C1 2251311891 ZCOWEQWWRBOLLZ-CMDGGOBGSA-N 421.347 1.841 30 10 HDEE CCc1nn(C)c(C(=O)N2CC[C@@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2281990181 JUUBJJFVHUOBFE-CYBMUJFWSA-N 405.304 1.117 30 10 HDEE CC[C@]1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282323962 JBLIXRVQDVXNMU-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329071 HOKVGFUAMMADMC-GXTWGEPZSA-N 400.375 1.760 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@@H]1O 2282337904 KHKIICCDYZRQPT-OBJOEFQTSA-N 401.359 1.875 30 10 HDEE CC(C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OCCO 2282346082 LJCIPTWMZJQABX-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495085 HMAWZAPTOPXDPW-CQSZACIVSA-N 401.359 1.971 30 10 HDEE C[C@H](CCN(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499685 RLFBUJAWMRBAKA-CYBMUJFWSA-N 402.391 1.807 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](CN)C3)c(Cl)c2)OC1(C)C 2282500545 YWTGJERUMXPGPW-LBPRGKRZSA-N 400.737 1.609 30 10 HDEE C[C@H]1NCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846202 GESPZRLZGMDWAQ-BXUZGUMPSA-N 400.737 1.668 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)C[C@@H]1O 2282849542 COYFOFJQFYSYSA-BZPMIXESSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCCP(C)(C)=O)c2)OC1(C)C 2282863562 TWKJPSSDKVCFGK-UHFFFAOYSA-N 402.262 1.672 30 10 HDEE CCN([C@H]1CCN(C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282868771 SDNGEJPBUGJVTN-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@H]3C(=O)O)s2)OC1(C)C 2284410468 BXMHVWVXNHBCOL-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@@]2(NCC#CBr)C(=O)O 2324778757 FLCABAUHCZGUNE-AAYAQQKKSA-N 417.300 1.705 30 10 HDEE CN[C@@H](C#CC1(SC)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336207665 YYFKIRQMQKEZOC-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CN(Cc1c(Br)c(Br)nn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c1cc(I)nn1C 2367798927 VTFLINYFZCNHOM-JTQLQIEISA-N 407.277 1.256 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367814687 BTZDQFALZGQJMM-CRAIPNDOSA-N 400.541 1.292 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367820603 RPLSKOHODWWVAG-HUUCEWRRSA-N 402.557 1.599 30 10 HDEE O=C(O)c1cccc(N/C(=N/C[C@@H]2CCCO2)N2CCN(c3ncccn3)CC2)c1 46022140 GSVWDUGYNWVVBB-SFHVURJKSA-N 410.478 1.944 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(N(C)S(C)(=O)=O)CC1 58923609 DAJRZHNRAMGXOL-LBPRGKRZSA-N 410.565 1.791 30 10 HDEE COc1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 263630370 XQGWVCXBGDYSHD-KGLIPLIRSA-N 412.489 1.552 30 10 HDEE N#C[C@@H](N)CCn1cnc(I)c1I 307194605 PUWWDWGPCKITJA-YFKPBYRVSA-N 401.977 1.333 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 409475843 FDNGUAUMBXNWNQ-DLBZAZTESA-N 400.932 1.782 30 10 HDEE COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 409687681 PCOIBPUGKUYYTR-BBRMVZONSA-N 410.434 1.517 30 10 HDEE C[C@@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)n1cnc(C#N)n1 409730472 IEYWHQFBAGQUSJ-ZDUSSCGKSA-N 421.427 1.798 30 10 HDEE N#CCCn1cc(C(=O)N2CCN(C3CC3)C(=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 410228399 HJLQKXVOHIWYDY-UHFFFAOYSA-N 408.418 1.819 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2=O)cc1 438315207 LBTXEMIMGBJVAX-FQEVSTJZSA-N 404.470 1.488 30 10 HDEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)c2)cc1 441303750 CRHOYOLOCFLICI-UHFFFAOYSA-N 416.441 1.945 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 460556203 RYDJDDBSSMWMEK-CABCVRRESA-N 417.601 1.765 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c2c(nn1C)CCCC2 462637010 DNROVGPBQPOMOS-ZDUSSCGKSA-N 401.492 1.154 30 10 HDEE CCNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 477130090 XRDCRIBCJJXKAF-UHFFFAOYSA-N 413.908 1.988 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H](N2CCCC2)C1 481780480 OAYDUXFNSCRVMB-WMZOPIPTSA-N 404.536 1.702 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2CN(CC(F)(F)F)C2)CC1 484253748 KGYFAXHVXWIXOV-UHFFFAOYSA-N 409.368 1.949 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2F)CC1 509670290 YTKWMTFPYBLNHZ-UHFFFAOYSA-N 423.491 1.612 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccn(-c3cccc(Br)c3)n2)CC1 515398383 XAOAGYCTJTVAJU-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CCC(Oc3cccc(C#N)c3)CC1)c(=O)n2C 533424634 PWINEXHJPHHGSC-UHFFFAOYSA-N 422.489 1.239 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1ccnc1C#N 534803103 OJXYGNSQTRXMPS-UHFFFAOYSA-N 417.491 1.967 30 10 HDEE N#Cc1nccn1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 536298411 GRYVAMYDGNTUKL-UHFFFAOYSA-N 409.855 1.068 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3cc(Br)ccc3=O)CC2)n1 544862854 AKEOOCRHJDHVFY-UHFFFAOYSA-N 402.252 1.226 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)CCc3ccc([N+](=O)[O-])cc3)CC2)n1 545471671 MJMKKZVLWGVJSP-UHFFFAOYSA-N 401.448 1.556 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4F)C3)CC2)n1 546169885 QQLGJYSKDMOCRC-CQSZACIVSA-N 411.412 1.933 30 10 HDEE COC(=O)CCc1csc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 546929252 NWVMIJSFYQULQQ-UHFFFAOYSA-N 400.464 1.869 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccc2)CC1 549184276 NUJWWGFSZFEIHD-UHFFFAOYSA-N 419.533 1.940 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 564375128 AWXRXSXWLBWKJB-UHFFFAOYSA-N 414.558 1.828 30 10 HDEE Cc1nsc(N2CCN(c3cc(Br)cnc3C(N)=O)CC2)c1C#N 564564337 XDVTUWJYRMCFMB-UHFFFAOYSA-N 407.297 1.906 30 10 HDEE Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1S(C)(=O)=O 578823660 DQDZWNZNBJVPGI-UHFFFAOYSA-N 407.473 1.187 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3ncccc3S(C)(=O)=O)CC2)c1C#N 582777645 SAVJXUAMPQVVRO-UHFFFAOYSA-N 420.520 1.154 30 10 HDEE C[C@@H]1[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CC(=O)N1Cc1ccccc1 589928374 INPHGBNIROESSL-YLJYHZDGSA-N 418.501 1.974 30 10 HDEE CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 609484407 BQQLLCAXEXJXOX-KRWDZBQOSA-N 403.552 1.198 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)cc2F)cc1 610426166 CFYZUXJRNXSHCC-UHFFFAOYSA-N 419.434 1.469 30 10 HDEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670216082 ZCNSTQSRMROMBW-XLIONFOSSA-N 409.538 1.905 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(C#CCCO)cc1F 703975687 XMPYQZPNIAEEKQ-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]1CSCN1C(C)=O 730306414 VOMFSVVPJSKLQT-CJNGLKHVSA-N 405.476 1.795 30 10 HDEE N#Cc1ccc(NCCNC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)nc1 731756401 OQZVLVBLLFDPBW-UHFFFAOYSA-N 418.454 1.866 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(Cc2ccccc2)c1C 731912728 JXLXZHMQKXLPDQ-UHFFFAOYSA-N 423.429 1.058 30 10 HDEE CC(=O)N1CCN(C(=O)COC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732399715 VXASHDONEPIUIU-UHFFFAOYSA-N 408.414 1.593 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CCN1C1CC1 733261192 OFGFKLRUFLKFIV-SFTDATJTSA-N 403.486 1.621 30 10 HDEE C=C(COC(=O)CNC(=O)c1ccccc1I)C(=O)OCC 734022323 CUBWXPLCQRLCAU-UHFFFAOYSA-N 417.199 1.684 30 10 HDEE CC(C)CNC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 741429668 GAMSLZNHPRJGFY-QGZVFWFLSA-N 406.508 1.582 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C1 742406247 UOHXXRJNLIRZTG-WBVHZDCISA-N 419.551 1.023 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cn1 751922656 DUSPVVGEZHSGNR-LBPRGKRZSA-N 415.466 1.355 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755049779 YLSVGMQQDDSQAH-UHFFFAOYSA-N 422.535 1.490 30 10 HDEE Cc1c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1N(C)C 755552506 NKGYCJYKRPLCNW-HOCLYGCPSA-N 415.494 1.875 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 766982177 MOZLBLKOALHIPN-MRXNPFEDSA-N 413.455 1.677 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccccn1 767089465 CIMPOEDOAIKFSV-IRXDYDNUSA-N 416.503 1.385 30 10 HDEE COc1cc2c(c(OC)c1OC)CCN(c1ccc(S(N)(=O)=O)cc1C#N)CC2 770477529 YWXJNQCFEOWMLD-UHFFFAOYSA-N 417.487 1.837 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CCN1C1CC1 773311883 PHULGYQTXMCOBR-LJQANCHMSA-N 421.501 1.513 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 774031944 XZUWRZPZEAWIOH-HNNXBMFYSA-N 411.480 1.434 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCc2ccccn2)c1)[C@@H]1CCS(=O)(=O)C1 774165862 WVCXRVUWHVMBIK-LJQANCHMSA-N 413.499 1.993 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 777326974 KHEGLORKKHQGKI-UHFFFAOYSA-N 404.469 1.764 30 10 HDEE CCC1(CC)CN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CCS1(=O)=O 778485764 CWGOSJHMAMIIBN-OAHLLOKOSA-N 416.503 1.801 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 780334062 FPOHRNSOOUJYSR-FRKPEAEDSA-N 416.547 1.757 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)c1 784124804 LJAPGPUTIHZAQE-GOSISDBHSA-N 411.531 1.971 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1)c1cc[nH]n1 789944374 RJCOWRDKOXICPJ-ZDUSSCGKSA-N 411.422 1.152 30 10 HDEE C=CC[C@@]1(C(=O)NCCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 790559816 KVOHSULZMTYKKE-IBGZPJMESA-N 415.556 1.874 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CCN1CCOCC1 795186759 BTNOXVHUUJAHEV-UHFFFAOYSA-N 406.467 1.015 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N(CC)C[C@@H](C)C#N)[C@@H]1c1cncn1C 796083983 HSCIPKUZRHOYRG-RZQQEMMASA-N 417.510 1.661 30 10 HDEE N#Cc1ncn(CCNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)n1 805823186 AXZUSCKQZYJEEM-UHFFFAOYSA-N 408.510 1.181 30 10 HDEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780818 GPVRFVGMGOFWFQ-ZDBRSUKYSA-N 421.498 1.555 30 10 HDEE C[C@H]1CN(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CCO1 808867064 BXLVVBZNWRIEJP-VIFPVBQESA-N 419.381 1.560 30 10 HDEE C#C[C@H](OC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CC1 808995349 PRWZDOPOXAIBQD-SFHVURJKSA-N 406.504 1.590 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 816497782 SCJNKMUFGTXXTD-UHFFFAOYSA-N 400.435 1.962 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 918756022 KJUIWYUTEQJEER-ZDUSSCGKSA-N 423.541 1.648 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1124534255 LBZIYZDHFFWEID-HNNXBMFYSA-N 413.430 1.902 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1135762448 KCAKYHXPYZCDFB-GOSISDBHSA-N 420.510 1.493 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccccc3[C@@H]2C(N)=O)s1 1136813713 KUBDKSUFISMIEI-GOSISDBHSA-N 419.528 1.366 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1137617196 NVXVOBBRBBLSAV-OAHLLOKOSA-N 411.499 1.470 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccc(O)cc2)s1 1138091480 JDJUCEMXRMNLKK-QGZVFWFLSA-N 424.500 1.491 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1144921832 DBXKNDRTCAWIAI-HNAYVOBHSA-N 424.519 1.041 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1147254626 HWTVSUGCGTWCNX-UHFFFAOYSA-N 415.500 1.007 30 10 HDEE CN1C(=O)[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Cc2ccccc21 1166224307 NTSKTROSTQVVNB-MRXNPFEDSA-N 401.419 1.440 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 1174993770 MSOQTCUHQQFWHA-GCJKJVERSA-N 420.506 1.551 30 10 HDEE COc1cccc2c1CC[C@@]2(CO)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1175723296 CYZDXDMRNRJCTI-KNQAVFIVSA-N 400.523 1.111 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](O)(CC)CCC(F)(F)F)cc1 1179438186 WBOCTLKVGGPLBN-MRXNPFEDSA-N 406.426 1.812 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1196677270 XPUIUEQIDFLYMO-VGWMRTNUSA-N 411.428 1.373 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1CN(C)C 1225936065 CYSHBPMLVLLUMJ-BRSBDYLESA-N 422.574 1.126 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CO1 1251385575 MUDNRFZARBHADK-LSDHHAIUSA-N 403.439 1.667 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)c2)NC(=O)NC1=O 1251585722 FWFVWRPZXOUNGB-CVDCTZTESA-N 417.469 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1286272493 ATXTVNSDKSHJJS-KSFYIVLOSA-N 411.506 1.924 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286312496 WEIOBDPIYWNJMA-QGZVFWFLSA-N 403.527 1.994 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286348841 ALWSEWRYLGPXOU-VLIAUNLRSA-N 400.483 1.010 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(OC)c1 1286360048 CIWUADYYYMIYOC-HUUCEWRRSA-N 421.523 1.434 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCC(C)CC2)CC1 1286470818 CTBIRHIBHXHEEP-HXUWFJFHSA-N 418.586 1.489 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[C@H](F)C2)CC1 1286490813 SWAJQHGHLBLWBC-WBVHZDCISA-N 411.485 1.839 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1286722502 KTLNDSDDTRDNGY-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286788527 YCEJLJALFMXGPE-HRAATJIYSA-N 419.526 1.249 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286818437 IMVMTHURHXKGCZ-YOEHRIQHSA-N 420.539 1.283 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCOC2)C1 1286835380 WRGRNUIIQKNKGG-IBGZPJMESA-N 407.540 1.315 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286837518 YKCCAEZDVFGSEQ-MRXNPFEDSA-N 402.524 1.705 30 10 HDEE CC(C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287204074 NEDBBBBTLCZOGD-IETCZJMGSA-N 400.483 1.545 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1288513938 JJXCMHKKYFWOCM-LBPRGKRZSA-N 411.919 1.671 30 10 HDEE CN(C)c1ccnc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1288871553 JYEYWYJSRFWEPD-SFHVURJKSA-N 406.446 1.541 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)c2nnc(C)n2Cc2ccc(C#N)o2)cc1 1289854889 OVGJCANXLICRPL-UHFFFAOYSA-N 414.491 1.823 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1291301781 KRWNWEXJXQFSIF-HNNXBMFYSA-N 419.507 1.103 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1=O 1296102798 JQMGMYNZNXYFSF-LJQANCHMSA-N 424.505 1.681 30 10 HDEE C[C@@H](O)c1cn(C2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1296122689 JMBJZTORLBGCBU-CQSZACIVSA-N 403.483 1.365 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1297513109 XMAYEKPDAQFNHZ-UHFFFAOYSA-N 408.466 1.443 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1299135271 XOVHXXLLEMBUFC-MSOLQXFVSA-N 408.462 1.113 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1300309325 SOGNYIHMVFJZHM-MAUKXSAKSA-N 402.520 1.833 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1300321190 LSKLYMXWYXPMEU-KRWDZBQOSA-N 417.535 1.659 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1300336303 CLRKHLRWFADPSJ-UHFFFAOYSA-N 408.510 1.434 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCO2)n1 1300681707 ZHCVTWVRLXRFPV-RBUKOAKNSA-N 414.510 1.791 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](F)COC)CC1 1300710298 ZQFPPHZXYFZFBX-KRWDZBQOSA-N 405.449 1.736 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1300741171 OPYNFIHPZFWTQY-UHFFFAOYSA-N 413.547 1.853 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1301044167 GCUXHQCAHSBUJG-OCCSQVGLSA-N 405.952 1.846 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1301120233 LHVJYQLFKYHAQE-MOPGFXCFSA-N 416.570 1.988 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCCCC)CC1 1301908812 CREKVPPNSZPDJO-QGZVFWFLSA-N 408.543 1.354 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCn2ccnn2)cc1 1302989005 FRXJPPYGQLAGKG-KRWDZBQOSA-N 405.466 1.200 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1309733748 ULMWIYDZUHJHTD-OAHLLOKOSA-N 400.522 1.178 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)C1 1316526323 GSCCAPPOCKIELN-ZDUSSCGKSA-N 421.221 1.944 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CCCCCO)CC1 1316533612 XEFCZNRHEQVORN-SFHVURJKSA-N 411.510 1.538 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)c2)NC(=O)NC1=O 1319645738 JWLRSIIPKGFAIX-LJQANCHMSA-N 416.434 1.372 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1320367886 KOASUWCMRLOXMV-DOTOQJQBSA-N 423.491 1.799 30 10 HDEE Cc1cc(N2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)nn1CCC#N 1322798503 AKDWDLGLGZZALQ-SFHVURJKSA-N 401.448 1.480 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCSCC1 1355968905 ASXJMAKPNJVZHK-UHFFFAOYSA-N 415.487 1.835 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)cn1 1357628931 IOUVJGIDRWVGMX-UHFFFAOYSA-N 403.442 1.948 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1358904583 HHKSDIZBFJFWBP-BBWFWOEESA-N 409.556 1.840 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358932103 YMQVFRIZGDUSHR-UHFFFAOYSA-N 416.551 1.538 30 10 HDEE C#CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1358936197 GKTPENMMLDWVSL-LPHOPBHVSA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1358953016 HXMBWPPQELASQZ-HXUWFJFHSA-N 418.519 1.093 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1358961984 IAYLBCGGTMPAHT-DOTOQJQBSA-N 404.492 1.788 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1358977453 MTSSFNKKGDBODL-DYESRHJHSA-N 411.893 1.863 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(F)(F)Br 1358984003 FDADICGNSCKMJT-UHFFFAOYSA-N 402.243 1.867 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1358994342 KOGJEMLKYBOPNU-HNNXBMFYSA-N 414.478 1.315 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCC2CC2)CC1 1359038089 KIRZYEMAZQELSB-UHFFFAOYSA-N 422.533 1.181 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1359038781 KLJGKQTVEYBJTN-HXUWFJFHSA-N 420.517 1.911 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC(N)=O 1359059708 WXOLVASUYGTBAQ-OAHLLOKOSA-N 411.535 1.583 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1359099247 LLQIGHOYLLYDEH-AOIWGVFYSA-N 419.526 1.058 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359131738 DBAXRZCXQUKXIV-DOTOQJQBSA-N 416.526 1.317 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1)C1CC1 1359246983 PTJCXFMIJSFXDZ-CYBMUJFWSA-N 421.523 1.806 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1360591379 CAOOYQMKIJQIEE-UZLBHIALSA-N 403.506 1.688 30 10 HDEE CCOC(Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1)OCC 1445370578 LGMBLTHJBWLYAO-INIZCTEOSA-N 421.498 1.867 30 10 HDEE CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[C@H]1C#N 1460600519 FHODWKGBCFINNH-YJBOKZPZSA-N 406.508 1.270 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1 1464571992 FHXSSZICEDBDSQ-GOEBONIOSA-N 419.478 1.668 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 1467905842 XCFNONRPACALRC-UHFFFAOYSA-N 409.508 1.423 30 10 HDEE C[C@@H]1[C@@H](CO)CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1468929954 ZYXXAVDXJUAALG-HZPDHXFCSA-N 407.536 1.905 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1470539752 QPOPQMDBVUWPPT-GDBMZVCRSA-N 417.897 1.779 30 10 HDEE COC(=O)c1coc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1470684968 HLOCAUCDQUYXTF-LLVKDONJSA-N 405.432 1.200 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1470815599 YBJMAIIICJKRMS-GOSISDBHSA-N 420.477 1.433 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 1478117272 NNAAQEFXKVTQSH-AWEZNQCLSA-N 405.476 1.200 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1478577814 NVWRCOVHYDDMKM-NXEZZACHSA-N 423.329 1.956 30 10 HDEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1497445748 AUBAGIBIONMNOB-QAPCUYQASA-N 409.556 1.861 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCCNS(C)(=O)=O 1503476089 FBRLLMHGSFEUMX-UHFFFAOYSA-N 413.507 1.721 30 10 HDEE COC[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1)OC 1504593597 DIPQZGRTWBVOHB-GOSISDBHSA-N 401.515 1.931 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507516217 JVHAIATZGALRDN-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507630300 WMUVLBPUQGAJSD-JXFKEZNVSA-N 417.535 1.071 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507634627 OGHQJYUNILBUNX-INIZCTEOSA-N 423.583 1.362 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507666500 ATXCHDKEERAVJB-HZPDHXFCSA-N 422.455 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H](C)N1CCN(CC)CC1 1507705490 SPGFLLHCBCLSIU-SFHVURJKSA-N 414.554 1.959 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br 1507712857 RCQHUGNSVSETNL-JTQLQIEISA-N 406.231 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSC(C)C)CC1 1507738714 WMQVBSNQEUYLEL-UHFFFAOYSA-N 413.551 1.843 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507792471 IOEPIOSADNDQAF-OAHLLOKOSA-N 419.345 1.738 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1507980256 FVDPNQWJAXARQD-SOKVYYICSA-N 422.576 1.729 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCN(C)C1 1508042208 XGQXJOLDAYHDHV-QHCPKHFHSA-N 424.549 1.987 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1508090672 IFUYSAUFFXUERY-MRXNPFEDSA-N 424.461 1.030 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1519278086 OQBZXQUKQFEUFZ-QRWLVFNGSA-N 418.473 1.500 30 10 HDEE C[C@H]1[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN1C(=O)OC(C)(C)C 1523979261 CUIURYULTOWAPV-STQMWFEESA-N 404.471 1.702 30 10 HDEE CC(C)n1cc(Br)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1 1523990737 FWCRHYSMPWTNGK-UHFFFAOYSA-N 408.260 1.910 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc(C(N)=O)o2)cc1 1525819571 RHCIZHOKFGUFER-KEMSESEUSA-N 416.459 1.843 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nnn(C(C)(C)C)n2)c1 1534106166 RISQLTQNMNMCQW-CJLVFECKSA-N 419.511 1.422 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@]34CCCN(CC3)C4)CC2)cc1 1535435342 YHBXPKOKKOPAEE-FQEVSTJZSA-N 402.520 1.313 30 10 HDEE CC(C)(C)c1cc2n(n1)CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1537085328 VUMGPJAQANNKPY-UHFFFAOYSA-N 401.492 1.262 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1537837923 HSOMGQZJUUUMHK-ZFWWWQNUSA-N 413.434 1.180 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)[C@H]1c1cccnc1 1538863234 YVLOWNONDSFYNI-NRSPTQNISA-N 406.442 1.452 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)C)c1 1539040064 KPHHENLCQCLJAB-UHFFFAOYSA-N 405.462 1.418 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1539230737 PVXAUYCVTRWEAV-IBGZPJMESA-N 416.547 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1539260620 RZDGRYZZSKYBLQ-HXUWFJFHSA-N 413.485 1.595 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 1539380073 XJJXOGIPWYHQQG-LJQANCHMSA-N 410.453 1.475 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1F 1539395842 JONLZKHZCUXIKQ-CQSZACIVSA-N 409.487 1.162 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCOCC1 1539415205 BAXFWDPEQKFVND-GOSISDBHSA-N 405.543 1.369 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)C)CC1 1539436713 ZNYAJVRYUWYQAN-UHFFFAOYSA-N 410.522 1.481 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(C)(C)O)CC1 1539452146 MBAGHKSGQAGZNQ-LJQANCHMSA-N 411.506 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@H]1OC 1539563810 QDSAMALRFNLRPB-CBGDNZLLSA-N 401.511 1.444 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540013235 MNQCYRCYRGMXHJ-KRWDZBQOSA-N 421.571 1.576 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1540859680 AIVUKGABAPIZGL-INIZCTEOSA-N 402.543 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1540869125 CCWJTXXGNWGCHK-OAHLLOKOSA-N 421.505 1.966 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCC)C1 1540882162 CNZBXFGAWPWKQA-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CC1(CC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 1542637821 LOEAYUNSCKOAEF-MRXNPFEDSA-N 408.543 1.503 30 10 HDEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C1CC1 1554666939 GUCOLOLFTCYVBT-SFHVURJKSA-N 415.519 1.722 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1556078571 UTWCFRGCAGSLDV-UHFFFAOYSA-N 420.539 1.477 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C#N)c(F)cc2C)cc1OC 1558214975 UPBYSNLIDORDOS-UHFFFAOYSA-N 407.423 1.940 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1558383048 SJKARSNKVFAZFT-KKSFZXQISA-N 417.462 1.476 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1561506588 XZLVLFBBTSLFJL-QYZOEREBSA-N 408.520 1.775 30 10 HDEE Cn1ccnc1[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(C)(C)CO 1564530616 GEFDDRGVFARWSY-ILXRZTDVSA-N 420.514 1.538 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc(Cl)ccc2Cl)CC1 1564609819 HSYIUFBMLWSLQH-LBPRGKRZSA-N 419.334 1.849 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)C(C)C)CC2)s1 1565556902 CFKOBUAHCNGKQH-UHFFFAOYSA-N 413.565 1.472 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1570092983 BDZGNDXEJCUNGQ-LJQANCHMSA-N 407.492 1.305 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)CC 1587579460 GQBSXTNCGGRLRO-ZDUSSCGKSA-N 406.468 1.251 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1587855737 AOWUNWPYQOHTFA-MRXNPFEDSA-N 410.526 1.566 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)F)c1 1588083673 ICQRRHNLLPCWLA-AWEZNQCLSA-N 421.473 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1588233887 UZBOTNYKIPXEDW-CHAGWJKLSA-N 424.592 1.190 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1593636855 TWADTIRFANVFHB-OAHLLOKOSA-N 409.556 1.641 30 10 HDEE C=C(C)Cn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1593684627 ZEQRLVNSASPZBT-OAQYLSRUSA-N 421.542 1.485 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1594839787 UBGKKNLLRUQPRZ-UHFFFAOYSA-N 406.512 1.319 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1594992626 MSRDUCJQJQSZSZ-UHFFFAOYSA-N 411.510 1.303 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1)C1CC1 1595058442 MKDBKFUOHNYKKC-DLBZAZTESA-N 423.539 1.111 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)C1 1595722526 KRFMCVZWLWREHU-ZBFHGGJFSA-N 407.496 1.306 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1595844924 JZSLKJZEYQQPMN-OLZOCXBDSA-N 405.615 1.749 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H](CC#N)C(F)(F)F)cn1 1596783592 OCSYPYVDJBFPGC-JTQLQIEISA-N 407.399 1.857 30 10 HDEE CC(C)(C)OC(=O)N(CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)CC1CC1 1598566874 AMYIZMPDMANZHQ-HNAYVOBHSA-N 411.524 1.420 30 10 HDEE CS(=O)(=O)c1nc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c2ccccn12 1603039147 TZBMXRYICNFELZ-UHFFFAOYSA-N 401.473 1.452 30 10 HDEE CCc1nnc(N2CCN(CC(=O)N3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1614030981 LISSVVGQOZSKTD-UHFFFAOYSA-N 411.510 1.488 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1617119135 IPKAGFXNUSNISP-JXMROGBWSA-N 421.406 1.411 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620138565 MLZPGQYYWNUICA-RJCBAWPRSA-N 408.462 1.697 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(O)c2)CCO1 1620354399 DDRKNTYUHMBHQD-MRXNPFEDSA-N 405.418 1.408 30 10 HDEE CNC(=O)[C@@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1622935694 GLBUPZXLDUDILF-WZHMAMEKSA-N 404.511 1.900 30 10 HDEE Cn1cc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C2(CO)CCC2)cn1 1624824359 VVUPNIYPULWWLA-OXQOHEQNSA-N 407.474 1.665 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 1628662702 QAMLGAZUTKKUSH-LJQANCHMSA-N 416.522 1.993 30 10 HDEE N#CCCN1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 1630675301 DMPWYYBAVZKWBN-LJQANCHMSA-N 405.930 1.954 30 10 HDEE N#Cc1cccnc1NCCNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1631239943 ZQLRWAIZSFOBKF-ZDUSSCGKSA-N 405.505 1.083 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1631262714 XPYVUXYLXXHBSK-HOTGVXAUSA-N 408.499 1.470 30 10 HDEE NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1632398194 DDPCRCKQHWHRGQ-HXUWFJFHSA-N 411.889 1.668 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](CC(F)(F)F)O1 1633617169 OYMJPYFYEASSAO-NEPJUHHUSA-N 419.425 1.684 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OCC 1636838231 RMPMEKSOZVBUBI-AWEZNQCLSA-N 414.480 1.703 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1641605448 LQWDXBNNNQKUCL-UHFFFAOYSA-N 410.499 1.985 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1643831418 UCKOQLMBPSEYBK-UHFFFAOYSA-N 409.317 1.887 30 10 HDEE COCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1644762447 BNGTVZIAZXJPQF-KBXCAEBGSA-N 402.476 1.514 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1645997749 MVUHSJNWCNRVIL-YZVOILCLSA-N 411.524 1.420 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCCCCNC(=O)CC2)CC1 1647983954 XZSQBLTUCPBKKY-GOSISDBHSA-N 417.579 1.839 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3cc(F)ccc3Br)C2)c(=O)nc1O 1648028540 FGGZGNKRIWBFPA-UHFFFAOYSA-N 421.226 1.738 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)CC2)c1 1653199059 CFQDUMJEKSQPRI-LWGFOQHQSA-N 419.478 1.056 30 10 HDEE N#Cc1ccc([C@H]2CN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1654935418 AUZVLDLDEZIAJZ-GOSISDBHSA-N 400.460 1.218 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1655958085 DGMRFVKMYIMGCR-UHFFFAOYSA-N 415.581 1.600 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 1656883666 KMHAZHOXCGSJJH-LBPRGKRZSA-N 410.439 1.356 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1660446736 FABKKUCETQEUGM-FXAWDEMLSA-N 400.504 1.420 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1661608721 LKKLUCUFQLKRMP-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1683556242 LGQFZYFINISSTL-UHFFFAOYSA-N 418.313 1.973 30 10 HDEE CCn1ncc(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)n1 1684260938 KPFJHAYQHDSBFU-UHFFFAOYSA-N 407.482 1.678 30 10 HDEE C#CCCN(CCOC)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1684770351 GOZYPUWJAAOVQE-UHFFFAOYSA-N 407.536 1.662 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)n1 1684830768 MTNZMMWXOHHDLI-NSHDSACASA-N 400.361 1.837 30 10 HDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)NCC#CCN(C)C)CC1 1684871911 SKBHLZCYPNIQFD-GOSISDBHSA-N 406.914 1.446 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c(O)nc1=O 1687567896 JBESBXCBKQIEBO-KRWDZBQOSA-N 411.462 1.859 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1689827674 ILYVIPRRJVRMHY-IAGOWNOFSA-N 410.588 1.468 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1689881257 KZWRPPBTIJLRGL-SFHVURJKSA-N 419.493 1.439 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689923075 JWJAVVYONGJNNM-UHFFFAOYSA-N 419.489 1.954 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1690015842 YYUYGSKFKCYACZ-YJBOKZPZSA-N 419.485 1.682 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1690029438 BOAXLDWVPDBWGD-AABGKKOBSA-N 413.522 1.333 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690071428 VEJUNJFTUMKTNL-UHFFFAOYSA-N 424.509 1.393 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@@H]2C)CC1 1690375556 NXEXXSSVQCFETD-DLBZAZTESA-N 409.556 1.057 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1690432775 LJWMHMPISAPLIQ-OXQOHEQNSA-N 424.567 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC=C)C1 1690700691 WCBMFUNPNNCDKJ-SJORKVTESA-N 410.540 1.902 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC)C2)C1 1690710901 YNYLASDXLRIDQG-MSOLQXFVSA-N 402.543 1.524 30 10 HDEE CC(C)CN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1692432350 QPTUGENTGMTOSZ-UHFFFAOYSA-N 411.510 1.691 30 10 HDEE Cc1cnn(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)c1 1693300742 FGFFQJVUJZPZHI-SFHVURJKSA-N 411.441 1.930 30 10 HDEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)cn1 1697439155 ABKNXRMZBNOMEQ-CQSZACIVSA-N 406.450 1.973 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705520105 IGKCHBZDJNGNJN-GOSISDBHSA-N 418.567 1.957 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705533476 NHVZRCRGNRACEP-MSOLQXFVSA-N 401.511 1.761 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCCC2)nc1 1705556921 NDJZVQYCZGIVAU-UHFFFAOYSA-N 407.522 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1([S@@](C)=O)CC1 1705586085 UIEWVUXNVWGMKS-MUUNZHRXSA-N 400.479 1.980 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCN1CCN(C)C(C)(C)C1 1705672012 HJOTUDHBEHWXSP-JOCHJYFZSA-N 410.570 1.697 30 10 HDEE C=CCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1705810785 HYWCFVIBUXNRQD-UHFFFAOYSA-N 421.571 1.921 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1705875780 FXRDUOCQXURRJO-KXBFYZLASA-N 406.508 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705899555 XBWNOWAEPWPDCD-UFRUDQCGSA-N 406.490 1.716 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(C(N)=O)CC1 1705904830 ZQUYMDOVUVTDOR-UHFFFAOYSA-N 418.448 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2ccccc2CC1 1705931791 AQGSIDTVVLVRKF-UHFFFAOYSA-N 424.530 1.941 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1708321376 NFKYMGGHRJVXER-NRJQMVOHSA-N 408.506 1.940 30 10 HDEE CCN(CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1710141170 DDJKQHSMNVTRNT-UHFFFAOYSA-N 405.528 1.685 30 10 HDEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCS(C)(=O)=O)cc1 1711874512 HGKLAVDZGXFAQQ-CQSZACIVSA-N 407.496 1.506 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1712510027 ALPDBXQWHHRIQD-CRAIPNDOSA-N 412.494 1.789 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCC2 1722499395 IEFWOZRLEQWFNB-UHFFFAOYSA-N 407.482 1.914 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722533591 VZNJGQAXMMEIFX-UHFFFAOYSA-N 404.559 1.568 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1722631581 QPBHZTJGDLJBBW-IXDOHACOSA-N 412.604 1.879 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1722694170 MZYSNGQJWKDASB-SFHVURJKSA-N 417.477 1.552 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccncc2)C1 1722710981 QZSHEUZFCJCSAM-RDJZCZTQSA-N 420.539 1.307 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nnn(C)n2)C1 1722721271 SESIFCHNTDEWLX-GOSISDBHSA-N 424.509 1.425 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1722732560 MSLVCAQXCFNQSC-KBPBESRZSA-N 417.601 1.811 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1722864527 AYYPARMBTAFMOL-INIZCTEOSA-N 408.514 1.857 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1723691904 MEEDGDRXYPHACD-DYESRHJHSA-N 419.526 1.864 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1740532377 DXVRNHKSODNECY-RRFJBIMHSA-N 405.528 1.120 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740565236 OLWFUILAAOWEJN-QZTJIDSGSA-N 402.543 1.377 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1740589816 BRTIHZXBRFHKSS-MRXNPFEDSA-N 420.539 1.154 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NC(C)C 1740629484 PDCOCXWDLDXINM-UHFFFAOYSA-N 406.490 1.745 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1740636100 VLXCLMDKWOODQX-AWEZNQCLSA-N 411.853 1.055 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1740677179 QYDCNZYBYOCDAU-ROUUACIJSA-N 413.453 1.424 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@@H]1C 1740688902 WNILGOZFUSEFSL-WZONZLPQSA-N 423.517 1.907 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)(F)C(F)F)CC1 1740695479 SLZYHCAASNVKMO-UHFFFAOYSA-N 414.407 1.945 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H](O)C1 1740724894 JPNWOGKPSFBOHJ-IUVQAAGXSA-N 409.556 1.432 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)N(C)C)CC1 1740832761 HVAJLKFQKJGWRW-CQSZACIVSA-N 412.560 1.159 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740867820 WZZMRAMMJZWPOD-OAQYLSRUSA-N 402.543 1.781 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1740875107 RSTHOYBIENJNRA-OAHLLOKOSA-N 421.505 1.825 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740879055 DXAAAVHWJYYTRJ-OAQYLSRUSA-N 413.526 1.852 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740961965 OAJBMVIOKXRWCU-QGZVFWFLSA-N 406.494 1.294 30 10 HDEE CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1741121753 BXWWQNPHDKQIKY-QUCCMNQESA-N 418.505 1.948 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccn(CC)c2=O)CCOC1 1746645882 AUSJKAKVVLLOFI-KKSFZXQISA-N 414.510 1.898 30 10 HDEE CN(CCn1cccn1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747968136 MVMVKOIPKAXIRS-HTXNQAPBSA-N 410.482 1.405 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1748077540 DFPCXJDVUGJDIC-JOCHJYFZSA-N 424.505 1.585 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1748905481 FLEAHZBWPPGZQG-HXUWFJFHSA-N 417.897 1.472 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749222201 CIBSUHAMZQKPNI-QGZVFWFLSA-N 401.515 1.624 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749222397 HHRQQHWMWJRHMC-UHFFFAOYSA-N 422.555 1.774 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749277798 KYOSGXMOTIQOGB-SFHVURJKSA-N 420.926 1.881 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1749334380 BIGDXURPIBWPED-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749425105 VLRFTUBEMLKAPO-UHFFFAOYSA-N 419.493 1.522 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccs1 1749730802 RCKUEDZNWHZUGT-UHFFFAOYSA-N 406.537 1.977 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749756384 XVMKZOMJEAWJKW-AWEZNQCLSA-N 402.524 1.358 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1 1750103110 ZVDMRMGFBGKADN-WOSRLPQWSA-N 407.496 1.900 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752347607 QNGWYSKSROLXCR-NZKCYVOASA-N 416.482 1.271 30 10 HDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1752540692 NZHOMJHPMFBJMK-YADHBBJMSA-N 424.505 1.606 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760162448 SXKXGZZQWVTUKW-HNNXBMFYSA-N 400.483 1.454 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760201256 NCAPEZVTPACOQK-MRXNPFEDSA-N 406.412 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 1760259550 NFCKPUSHXAVRCR-KRWDZBQOSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1760261192 MCBSOJQKGALSSR-RBBKRZOGSA-N 423.565 1.876 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760267889 DSFGKOSHUXDTST-UZUQRXQVSA-N 422.533 1.857 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1760330255 WSLOPTHCTSXSRX-CZUORRHYSA-N 403.574 1.159 30 10 HDEE C=C(C)COCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1760361783 SLZDFEGMEIIWPD-QGZVFWFLSA-N 418.586 1.957 30 10 HDEE C=C1CCN(c2nnc(Cc3c(F)cccc3F)n2CCS(=O)(=O)NC)CC1 1760390494 HQDYDXDTEUILAF-UHFFFAOYSA-N 411.478 1.853 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)(C)C 1760500517 MHDAOUMEZTZZEC-UHFFFAOYSA-N 406.531 1.315 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1C1CCC1 1760514429 FQRLGZUJJZJBAB-INIZCTEOSA-N 409.494 1.997 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1762056983 ILRFPCNZTOJVGK-CUSZFKRNSA-N 420.514 1.036 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1769182091 HDBOBYYEIWIQPF-ZWKOTPCHSA-N 410.478 1.461 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1770456169 AKUDSOYVWCSYMN-WFASDCNBSA-N 416.548 1.616 30 10 HDEE CS(=O)(=O)CC1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1771352226 HUHMKJSILWMTKR-KBXCAEBGSA-N 411.503 1.439 30 10 HDEE CS(=O)(=O)CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1)C1CC1 1771355969 XNHNODVWZJQKQV-UHFFFAOYSA-N 413.463 1.261 30 10 HDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)ON1C(=O)c2ccccc2C1=O 1772790179 KWBQITACPHVKSG-UHFFFAOYSA-N 418.352 2.000 30 10 HDEE N#Cc1c(O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc2sccn12 1849753263 QGTPGCNZFPQXTI-CABCVRRESA-N 407.455 1.658 30 10 HDEE CN(C(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1)C1CN(c2nccnc2C#N)C1 1849877036 ZEFIUDSAPAKZNB-XLIONFOSSA-N 404.474 1.605 30 10 HDEE C=CCN1CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1850876494 BLYPYKOQOXUBEQ-UHFFFAOYSA-N 406.335 1.992 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)NN1c1ccc(Cl)cn1 1852738579 HNWNZNWIDBPIRL-NEPJUHHUSA-N 400.870 1.662 30 10 HDEE C=CCCC(=O)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1852767980 JTXVQYFNMHNREK-UHFFFAOYSA-N 401.488 1.546 30 10 HDEE C=CCN1C[C@H](C(=O)OCCCNC(=O)c2cn3cc(Cl)ccc3n2)CC1=O 1853335978 OURGZUWOWWZIBR-CYBMUJFWSA-N 404.854 1.685 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)CC2=O)c1 1853936219 XJWMDKVLSXWWNS-UHFFFAOYSA-N 401.419 1.512 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCCS(=O)(=O)Cc2ccccc2)CCN1CCCC#N 1854281327 KZISXRAERKYIHL-QGZVFWFLSA-N 405.520 1.745 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)OC1=O 1854651310 RDZCBDSPJSHMCO-OAHLLOKOSA-N 413.402 1.627 30 10 HDEE CC(C)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855453405 ZJGLELMBBXBXOI-QGZVFWFLSA-N 403.504 1.990 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(CC)no3)C3(CCCC3)C2=O)CC1=O 1855489974 UCYVHOMJCNFGSU-INIZCTEOSA-N 414.506 1.755 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(OC)c(F)c3)[C@H](C)C2=O)CC1=O 1856303719 INWMJPQLUVRQAL-GDBMZVCRSA-N 403.454 1.428 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(Cc4cccnc4)CC3)CC2=O)cc1 1856609301 RYVKKPNPISMFML-FQEVSTJZSA-N 403.486 1.760 30 10 HDEE C[C@@H](C(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@H]1CCOC1 1856907158 WRASBJBNSMFTSL-ZBFHGGJFSA-N 419.503 1.699 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1 1856999654 QWJPHFRODWOCEU-YOEHRIQHSA-N 403.914 1.982 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3cn4cc(Cl)ccc4n3)C2)CC1=O 1857306186 NYNFLIKGIJQWNY-MRXNPFEDSA-N 400.870 1.146 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccnc3)C2)CC1 1857378399 UJOJCAVPWUDNGD-QGZVFWFLSA-N 404.474 1.549 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)C1 1857410832 DRWKVCZIWDNICJ-AVRDEDQJSA-N 414.481 1.368 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@H](c3ccccc3)S(=O)(=O)CC2)C1=O 1857507617 ZWZOKMDHQVNFFT-QZTJIDSGSA-N 403.504 1.670 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C#N)c1cccnc1 1858001161 KDXBUBLEAMJTJL-SFHVURJKSA-N 400.460 1.439 30 10 HDEE C=CCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608469 CWBIERVCNKDFJJ-SJLPKXTDSA-N 413.474 1.509 30 10 HDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC(C)C)s1 1872706546 DECBJAMIPWYWLM-UHFFFAOYSA-N 423.451 1.581 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)cnn3)CC2)c1 1890102819 OHENMGCUEPEXTG-QGZVFWFLSA-N 406.490 1.903 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)c1 1891931473 KYHXOYBNLHBTOW-KRWDZBQOSA-N 419.445 1.625 30 10 HDEE C#CCN([C@H]1CCOC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1964000831 AKBYWFVUHPDHAJ-HNNXBMFYSA-N 404.488 1.363 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C2(CCOCC2)C1 1965826393 ZTNMPRYUICFIHM-AWEZNQCLSA-N 401.529 1.872 30 10 HDEE CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 1985099608 QGEIRDLBTPZLNJ-UHFFFAOYSA-N 406.292 1.971 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010402584 SLJUYYIHPPTYKO-KFWWJZLASA-N 423.363 1.992 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1 2174781247 DCZJWAARDDMEKR-HZPDHXFCSA-N 403.545 1.806 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@@H]21 2199771934 BLLVZWJVGGRFFJ-RVMXOQNASA-N 402.513 1.679 30 10 HDEE Cc1cnc(NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212753841 OBISCZCOORSHGA-CQSZACIVSA-N 407.320 1.987 30 10 HDEE COCC1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243676539 KNERMDPFRZCPTK-UHFFFAOYSA-N 408.304 1.621 30 10 HDEE CN1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@H](CNC(=O)C(F)(F)F)C1 2247915242 XYWSLYOGTYRJHJ-GFCCVEGCSA-N 419.253 1.434 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2250000354 HZUNGLWSPBOOPR-JKSUJKDBSA-N 420.315 1.712 30 10 HDEE C#CCSCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267466623 DQHODKBDMXCSBU-UHFFFAOYSA-N 402.372 1.228 30 10 HDEE C=CCSCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473518 HBFXETMGQJXAHA-UHFFFAOYSA-N 404.388 1.781 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@]2(C#N)CCSC2)OC1(C)C 2267729897 RCWUPOOMAUZGQQ-OAHLLOKOSA-N 400.356 1.725 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269028272 HSEFSEIFGTUIDD-SNVBAGLBSA-N 407.344 1.142 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cc(C#N)ccn1)NC(=O)OCc1ccccc1 2270529762 KHBRJOYWMNIXFB-OAHLLOKOSA-N 418.431 1.163 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2281826325 FYHFEIQKFFHCBN-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(C)CNCCO3)sc2Cl)OC1(C)C 2281969340 LJEZYDWZEFBLDP-QGZVFWFLSA-N 400.737 1.809 30 10 HDEE C[C@@H]1CCSCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282332161 XBRTXOMYRUAWMI-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@]1(C)CN 2282334461 BMRWPIWKGCQYKO-YVEFUNNKSA-N 400.375 1.653 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2282488820 CCOQOHMOXZUMBP-KWQFWETISA-N 415.264 1.637 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2CC[C@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282492055 NHCHRQUBZDJYEM-OLZOCXBDSA-N 400.375 1.774 30 10 HDEE CN(C1CC(O)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282495556 NXAPIQVGNJBMSE-UHFFFAOYSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282517152 PZRCGKTXHUMWIP-NSHDSACASA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H]3CN)c(Cl)c2)OC1(C)C 2282827061 WKZLHGDITGLGKF-RISCZKNCSA-N 400.737 1.655 30 10 HDEE CN(C)C(=O)OCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850973 VUBAYQBBEIPEPO-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282867637 BLWMIAZIHLFTRN-YDBLSZJJSA-N 402.347 1.120 30 10 HDEE CN([C@H]1C[C@@H](O)C1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282874696 DWEPVOVHGGAYIB-TXEJJXNPSA-N 401.721 1.783 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1O 2282877375 QNXPEFAGORDHOT-RYUDHWBXSA-N 401.359 1.685 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882021 GKERWTKJXNOYTC-CQSZACIVSA-N 401.359 1.794 30 10 HDEE CO[C@@H](CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284435348 LZRWSSNQUIOBRM-JTQLQIEISA-N 403.693 1.920 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@H]3C(=O)O)c2Cl)OC1(C)C 2284446351 WGZGSMHGEUBSMY-WPRPVWTQSA-N 401.677 1.361 30 10 HDEE COc1ccccc1C=CC(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 2325547166 DQOFFPBXBJVYFH-UHFFFAOYSA-N 402.428 1.741 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)NCCCn2ccnc2)cc1 2325709688 UHVQJAUSMDFZIN-UHFFFAOYSA-N 412.490 1.919 30 10 HDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329056108 POGRIYUBRMRSJE-OAHLLOKOSA-N 403.508 1.978 30 10 HDEE COc1cc(Br)cc(C=Nn2c(CNC(C)=O)nnc2SC)c1O 2330707282 IMZZCFSBHLRVRD-UHFFFAOYSA-N 414.285 1.995 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1OC 2330742615 DMKGVVUPOVFYFE-UHFFFAOYSA-N 404.496 1.423 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCC[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365204501 YPTSNDOWJIEECL-HNNXBMFYSA-N 406.545 1.088 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367788796 BDVQUPOWHBCMHE-JKSUJKDBSA-N 401.525 1.734 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367803713 MYKKDUIJCMWPHR-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806606 LUUHAIRYGDDYGM-DNVCBOLYSA-N 400.541 1.437 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369498117 KFWLTFMIJXPYLF-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CCc1ccc(NC(=O)CS(=O)(=O)[C@H](C)C(=O)Nc2c(C#N)cnn2C)cc1 16893318 CRFXQFNZTMYJSD-GFCCVEGCSA-N 403.464 1.235 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 102751062 JYYCJINTVBPUDE-VZCCSQPZSA-N 411.462 1.175 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cc2ccc(-n3cnnn3)cc2)cc1 109887328 ACVSCHCWDIYQOE-SFHVURJKSA-N 419.470 1.617 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccco2)C1 203567681 SCJLZRNGFJCZQJ-DYEKYZERSA-N 411.418 1.366 30 10 HDEE O=C(O)[C@H](CCS)NS(=O)(=O)c1ccc(I)cc1 382414550 KUFRCEVOYFJOLC-VIFPVBQESA-N 401.247 1.343 30 10 HDEE CCOC(=O)CS(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 404953026 WEVZSZDMFCVEPM-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC[C@]3(C2)NC(=O)NC3=O)sc2c1CCCC2 434777974 RIOAWWSWAVBMEY-LJQANCHMSA-N 401.492 1.501 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CS(C)(=O)=O)c3ccccc3)cc2C1=O 438937201 OOFXALTXKXKGJE-SFHVURJKSA-N 412.467 1.984 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NCC(=O)OC(C)(C)C)c2c1 441816355 CFNKENNGLZTARL-UHFFFAOYSA-N 401.419 1.960 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 465403078 JSGNZIPWTOWTRB-MRXNPFEDSA-N 411.487 1.729 30 10 HDEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 471966965 PXWIBRCXLDEEAH-UHFFFAOYSA-N 412.483 1.504 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c1C#N 473448362 LFFAXDFMZUQSBE-AEFFLSMTSA-N 413.455 1.572 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 477257054 FZSATIRPBDWREU-GFCCVEGCSA-N 407.452 1.241 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)cc1 478007655 YCPZVITUJLQZML-UHFFFAOYSA-N 423.473 1.089 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1 478734653 BMFGFIZXQACDKA-UHFFFAOYSA-N 403.460 1.414 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(S(=O)(=O)CCO)cc2)c(F)c1 480632290 BAGHIPDRSDCIIG-UHFFFAOYSA-N 412.464 1.083 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 487701496 FAUJGKZEDBZHGN-UHFFFAOYSA-N 421.500 1.493 30 10 HDEE Cc1ccc([C@@H](CN2CCOCC2)NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489073640 ASQPAUYUAAUSDZ-HXUWFJFHSA-N 400.504 1.922 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)s1 503690431 OQFBFFMOJIIQQC-KRWDZBQOSA-N 415.537 1.713 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccc(C(F)(F)F)cc2)n(C)c1=O 505630213 AEHRTXDBYUJRIA-UHFFFAOYSA-N 418.400 1.585 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 509110441 NBVPPSRTMRMNGH-UHFFFAOYSA-N 404.536 1.995 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3cnccc3C#N)CC2)CC1 516615448 FAMUPIAGIPFVGC-HXUWFJFHSA-N 418.545 1.981 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 523306176 RKFURZBHUVXDFV-UHFFFAOYSA-N 410.495 1.979 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)CC2)cc1 526973117 YUHDPPXHADGAHI-GOSISDBHSA-N 413.522 1.698 30 10 HDEE COC(=O)Cn1cc(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 543913487 UIHNKKLBHOZXLF-UHFFFAOYSA-N 420.838 1.568 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cc1 544835007 SBTKBXBATYWSMV-UGKGYDQZSA-N 419.485 1.830 30 10 HDEE COC(=O)c1cn(C2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)nn1 545447264 JWDCDPXHBJMWPR-LJQANCHMSA-N 405.455 1.490 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 546696612 FAIIUFNOPRWTHD-CYBMUJFWSA-N 406.460 1.868 30 10 HDEE O=C(C1CCN(CC#CCN2CCC(C(=O)N3CCCC3)CC2)CC1)N1CCCC1 560157416 UEPNRJZBBYNUGE-UHFFFAOYSA-N 414.594 1.659 30 10 HDEE COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 576872546 HADYXTVMFDHVSY-OAHLLOKOSA-N 417.281 1.468 30 10 HDEE CC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227241 UWQYRXPROQFFKC-UHFFFAOYSA-N 421.461 1.278 30 10 HDEE Cn1cc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)c(=O)n(C)c1=O 610109268 OSDNKHUDURJBQC-UHFFFAOYSA-N 424.417 1.059 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)CC1 619104064 HDISNRMXESMDFB-UHFFFAOYSA-N 418.457 1.367 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2CCC2)cn1 730144164 HRIQTBQUNUATHA-INIZCTEOSA-N 419.551 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732457151 DVTJNKAPJHDEDD-MSUUIHNZSA-N 421.498 1.459 30 10 HDEE C[C@@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)/N=C1/NS(=O)(=O)c2ccccc21 742563990 QZUGIIJRVGSWLL-NSHDSACASA-N 414.443 1.473 30 10 HDEE COc1ccc(N2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1F 753929822 DHGGNYNAKXGQML-VHEBQXMUSA-N 417.441 1.192 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCCNC(=O)c2ccccc2)C1 758435747 RYGFDRMOLLLWGD-IRXDYDNUSA-N 415.494 1.865 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)no1 758752403 BSLHESDIANOTJZ-MCIONIFRSA-N 406.443 1.220 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(O)Cc3ccccc3C2)[C@H](C#N)C1 758776874 MKOFXFPREJWDPZ-IAGOWNOFSA-N 400.479 1.575 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 765521406 XYUGEYDLVNGYAL-AWEZNQCLSA-N 422.507 1.351 30 10 HDEE N#Cc1ccc(N2CCN3C(=O)OCC[C@@H]3C2)nc1N1CCN2C(=O)OCC[C@H]2C1 767308747 OXBWVRWBMFPGDE-CVEARBPZSA-N 412.450 1.015 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2CCN(CC)CC2)c1)[C@@H]1CCS(=O)(=O)C1 771273189 QQFILXICWQNDHX-LJQANCHMSA-N 404.536 1.483 30 10 HDEE C#CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 774151602 AEMFGYJDTBTRMK-HUUCEWRRSA-N 421.548 1.355 30 10 HDEE C#CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1)[C@H]1CCS(=O)(=O)C1 774166854 FCOKMRTZVPPPMM-INIZCTEOSA-N 413.540 1.608 30 10 HDEE C#CCOc1ccccc1NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 775941313 YSZQWLHLPYNYFP-UHFFFAOYSA-N 403.416 1.914 30 10 HDEE C#CCN(C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)[C@@H]1CCS(=O)(=O)C1 777992084 NPCCDQSYYXXWNE-BXUZGUMPSA-N 405.442 1.815 30 10 HDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 778734026 XMSDWQCIVGHETM-OAHLLOKOSA-N 406.433 1.444 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780724872 YGSPQELPLICCMW-KNQAVFIVSA-N 414.506 1.764 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)n1 789208574 ZPFZFWBHHWNCQD-SJORKVTESA-N 405.499 1.541 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)n1 789324798 RZFBIIVPVRJEJZ-UHFFFAOYSA-N 415.519 1.253 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 790235409 WJYUIAWVHIQOSM-QFIPXVFZSA-N 420.554 1.779 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 790822889 WXSGKLYIBIHTMS-MGPUTAFESA-N 406.483 1.956 30 10 HDEE C=CCN1CC[C@@H](OC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798638555 SSTBYJSKUCQYBA-IIBYNOLFSA-N 415.446 1.101 30 10 HDEE COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802514592 DNQHQBVIXAKGOI-OAHLLOKOSA-N 415.523 1.093 30 10 HDEE CC(C)(C)OC(=O)NCCS(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803035282 YBQLARHUMFSJBV-UHFFFAOYSA-N 411.455 1.700 30 10 HDEE N#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 812616527 GSBTXLBABUNGRB-OQLLNIDSSA-N 405.476 1.368 30 10 HDEE Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1 820173469 AVMBOBHSFUHWFY-KRWDZBQOSA-N 403.460 1.540 30 10 HDEE CC(C)CN(C(=O)CON=C1CCC2(CC1)OCCO2)[C@@H]1CCS(=O)(=O)C1 917403639 SQUNCFOSZGHPBC-MRXNPFEDSA-N 402.513 1.348 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1cc(C#N)ccc1F 1119990219 SPZJAYPDAYNWNQ-MRXNPFEDSA-N 404.442 1.829 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3nn4c(c3Br)CCC4)CC2)nc1 1125314173 NCYIIRLGNYEUOZ-UHFFFAOYSA-N 401.268 1.821 30 10 HDEE COC(=O)c1cnn(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 1125759418 BJYPXCMNDADVIV-UHFFFAOYSA-N 404.430 1.438 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 1129157074 WRHBXSKQKYOCKS-HZPDHXFCSA-N 406.446 1.951 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)C[C@@H]12 1131124538 UFGZEAARQHIUMA-IPELMVKDSA-N 416.455 1.614 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OC)ccc1F 1133642835 PLZSPXNNCFHNII-HIFRSBDPSA-N 414.455 1.131 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(F)cc(Br)c3F)C[C@H]1CS(=O)(=O)C2 1134649930 RTGPQFJKUVCCLL-RMLUDKJBSA-N 405.220 1.738 30 10 HDEE CCCN(CC(=O)OC)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1138287266 UHLRUAPCIZXQLY-UHFFFAOYSA-N 409.508 1.697 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)c1 1141168424 PDNNLXPBGCUFNJ-OAHLLOKOSA-N 400.522 1.190 30 10 HDEE N#C[C@@H]1CN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CCO1 1143946681 QIGAQHOTTRFRIG-CYBMUJFWSA-N 401.282 1.754 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@](C)(c2cccc(OC)c2)C1)c1cc[nH]n1 1147427381 GXQGPCMQOOEOLK-NRFANRHFSA-N 414.462 1.892 30 10 HDEE Cc1[nH]nc(NC(=O)c2ccc(I)cc2-n2cnnn2)c1C#N 1147691124 MJFKYOHGVSBZJO-UHFFFAOYSA-N 420.174 1.422 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cn(CCO)nc3C3CCOCC3)C2)nc1 1156255261 YBEPMIYTICAUCP-SFHVURJKSA-N 424.505 1.753 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)cc1 1156458529 NWFQTSFADUEHFZ-UHOSZYNNSA-N 424.519 1.186 30 10 HDEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1158492274 RYEYILAZPALLOP-HXUWFJFHSA-N 405.520 1.218 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCO1 1174653753 XYHSRAQYWJGXEG-INIZCTEOSA-N 407.902 1.525 30 10 HDEE N#C[C@@]12CN(CC(=O)NCC3(c4ccccc4)CCCCC3)C[C@H]1CS(=O)(=O)C2 1176433943 YLDQFRFRJLDLKP-UGKGYDQZSA-N 415.559 1.875 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2c(Br)cccc2C#N)CC1 1185290802 NOHPZSGLIZBPEB-AWEZNQCLSA-N 409.328 1.984 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 1191962384 SUPRSNDHHSAWIF-KRWDZBQOSA-N 405.520 1.528 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(OC)c(Br)cc2OC)cn1 1212445996 ZXVHOOOJHUWCRX-UHFFFAOYSA-N 414.281 1.775 30 10 HDEE CC(C)(C#N)CNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1226056260 APCKOGPLEGMGTN-KFWWJZLASA-N 421.498 1.760 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)CC1 1230590028 RINMWDMWSYQUBW-UHFFFAOYSA-N 401.554 1.756 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)NCc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1235708262 UCTCGDKDVQUOEP-LJQANCHMSA-N 406.870 1.371 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc[nH]n1 1255985643 QBVOJIVKDNJWQF-VQIMIIECSA-N 417.441 1.394 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1279061528 IAFNCMGSBFIWEL-AYBZRNKSSA-N 403.527 1.695 30 10 HDEE C=CCCC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1281730822 RAHFQNLMQWFQLQ-PKFZQDLRSA-N 410.514 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1286304957 ZAAVAQQSGIPUCB-SFHVURJKSA-N 422.533 1.743 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286338801 FGCHQOVYGCIEOU-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286394678 POVKDRUQSYRTJU-LJQANCHMSA-N 421.611 1.835 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1286442543 DLOGIKVQXSRPCN-OAHLLOKOSA-N 419.489 1.413 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1286466581 ZSBMRBWLPYEABY-DJPFJPOOSA-N 401.511 1.520 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)C)CC1 1286484309 IEFVYKZPYUELAO-UHFFFAOYSA-N 410.522 1.317 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286593191 DZHQLYABPXWKNG-CABCVRRESA-N 420.514 1.535 30 10 HDEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1286734075 MXBRYJDQGXVWAH-IBGZPJMESA-N 406.483 1.789 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1286781737 YZHPXRKESVCXSU-UHFFFAOYSA-N 416.448 1.599 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCOCC2)C1 1286803980 ICEFCXPPOYUPAV-SFHVURJKSA-N 412.494 1.370 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)C1 1286813013 VUJPKHYDRIWKEH-HUUCEWRRSA-N 411.453 1.606 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)cc1OC)CCS2(=O)=O 1289586588 LFPWBQLPBNHOTD-SHYRYGCCSA-N 406.460 1.196 30 10 HDEE C#CCCN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1293932183 GVZLQQQALBXAKG-UHFFFAOYSA-N 412.552 1.127 30 10 HDEE C#Cc1cccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1299356449 PILSJTZMAUXMLA-QGZVFWFLSA-N 406.504 1.708 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1299483678 GGJVMQCDYXVTTN-SCLBCKFNSA-N 415.519 1.769 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCOC)C1 1300336748 MXXMKRJYFBVGSA-GOSISDBHSA-N 403.527 1.949 30 10 HDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC)[C@H]1CCS(=O)(=O)C1 1300504133 KASMUZUTOWWXSG-GVDBMIGSSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1NC(=O)CC1(C)C 1300516915 VEALKPHLQQNBDR-QGZVFWFLSA-N 406.446 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCCn1cc(CO)nn1 1300519963 CAQWPXATYJQEMQ-UHFFFAOYSA-N 403.490 1.754 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1300586991 NNNJHPDYWUTCIP-UHFFFAOYSA-N 423.484 1.751 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1300601282 FSOBCBZZOXIBCZ-HNNXBMFYSA-N 405.524 1.795 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1-n1cccn1 1300663656 COBAYCGVXXCAEV-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCOCC2(C)C)CC1 1300707129 VUJDBKYFEIXDIU-UHFFFAOYSA-N 414.598 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN1CCOC[C@H]1C 1300787217 KAXJATQRWRZQOI-LVCYWYKZSA-N 405.543 1.715 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1301134659 YKVMKQQHGSUKKK-HNNXBMFYSA-N 404.410 1.528 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1 1301478848 PWAUWCTUWKQCSR-UHFFFAOYSA-N 419.574 1.277 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1 1301478871 QNLIYGVLVZFHHQ-CABCVRRESA-N 420.539 1.388 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 1301957495 FNXBSOUKECDHPZ-UONOGXRCSA-N 423.963 1.810 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1304537792 DJNGDEQTSDDXFL-INIZCTEOSA-N 415.519 1.807 30 10 HDEE Cn1c(=O)[nH]c(N2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)c(C#N)c1=O 1307085369 FADMDAGDZLLNAS-UHFFFAOYSA-N 403.826 1.159 30 10 HDEE C[C@@H](C#N)CN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CC1 1307644311 QCUHQJWFQZKITI-VEJKBTLKSA-N 413.503 1.858 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C(C)C)[C@H](O)c3ccccc3)CC2)o1 1307752797 BMAUZSACGJIUCV-NHCUHLMSSA-N 411.506 1.851 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1=O 1309446286 XLYXQCDWESMUSV-ZDUSSCGKSA-N 405.398 1.595 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](c1nccn1C)C(F)(F)F 1313434394 PVEGQLZADGMXPL-DGCLKSJQSA-N 408.388 1.605 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1358937166 KWLFFDDBEYNEGB-UHFFFAOYSA-N 409.494 1.725 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1 1358992626 QZNNJVLAVGFQAX-GOSISDBHSA-N 421.501 1.952 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2F)CC1 1359028088 GWTAJGJAEVFFIT-UHFFFAOYSA-N 410.497 1.651 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCO2)CC1 1359044592 JVDYRRYMPKGXPH-OALUTQOASA-N 415.538 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCc1n[nH]c(C)n1 1359063163 IPMDCSHLQAOXNR-HXUWFJFHSA-N 405.466 1.587 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCCS(C)(=O)=O 1359104411 AWIMTXXQEAXRQE-GVDBMIGSSA-N 412.556 1.982 30 10 HDEE C=C(Cl)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1359157185 AZQGDIVGZQZCDQ-DAYGRLMNSA-N 400.907 1.921 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1359216099 PBJGRHNINGMMGJ-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1359301885 ORQJDUUSYALMFY-QGZVFWFLSA-N 404.559 1.767 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)C1 1359303846 CLUHOTWXAVHEQA-UHFFFAOYSA-N 410.450 1.417 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(c2ncccc2F)CC1 1359304967 PEWNTKPKJNOZOO-UHFFFAOYSA-N 417.489 1.368 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359342450 YACWWVOLSHHHGQ-ULQDDVLXSA-N 420.583 1.305 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1359465370 ALJHRWVFZGTDJG-ZWKOTPCHSA-N 417.558 1.611 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359638540 ANAHCOYVNUCIBD-QGZVFWFLSA-N 409.494 1.291 30 10 HDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1360081578 NQORYVLNAUWHDU-HNNXBMFYSA-N 415.427 1.211 30 10 HDEE COC[C@](C)(C#N)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1445657344 PLCMXVZLTPODEB-ZDUSSCGKSA-N 413.805 1.682 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 1448851404 ULUQXAXOIZUMSF-VGOFRKELSA-N 413.474 1.666 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1450265847 DNBYHLKEJYWPLH-AWEZNQCLSA-N 402.476 1.757 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)CN2CCCC2)C1 1450597575 DIRAYKSOXNWNRA-MRXNPFEDSA-N 407.312 1.330 30 10 HDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1452759548 BEGPIAFLDYJQMY-JSGCOSHPSA-N 405.455 1.115 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)/C=C/CN4CCOCC4)CC3)n[nH]2)cc1 1452956577 SBOUZNCILZAHBE-OWOJBTEDSA-N 406.490 1.485 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1462327413 SMUZNTJMNZKGJM-UHFFFAOYSA-N 411.462 1.837 30 10 HDEE COC(=O)c1ccc2c(n1)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CC2 1463361467 WIMDZXVUKBPPQW-MRXNPFEDSA-N 404.426 1.678 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1467516707 VKOTUJURCHFRBH-FMPZLKCCSA-N 421.494 1.634 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@H]3CC[C@H](C(F)(F)F)O3)CC2)c1C#N 1471297282 QBEKONJRTVFXQI-UKRRQHHQSA-N 414.432 1.932 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)C1 1471338088 VAWHCRTXISBPFS-QGZVFWFLSA-N 424.592 1.478 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1475153400 VFFUJBYIMNITAR-KSZLIROESA-N 412.508 1.126 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)cs1 1492674871 JBNFPKCMOFXHHX-KRWDZBQOSA-N 406.487 1.617 30 10 HDEE CCC[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499960690 JWINPDQZQOMPTP-LHSJRXKWSA-N 412.494 1.868 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1502688063 HJPJOCADUHSGOA-DBVUQKKJSA-N 405.499 1.476 30 10 HDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1503303822 UBYFAWPNZCPFBM-DEXQXJORSA-N 403.508 1.722 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CSCCS1 1504886293 GKOUKMJXERKPPJ-AWEZNQCLSA-N 405.553 1.950 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 1507591022 IEZFCNPSCBCBLW-GOSISDBHSA-N 416.551 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)CC 1507773956 OQSIDJFBQWGPFL-GOSISDBHSA-N 407.565 1.862 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1507844379 IWRVNWZTYSMPRL-INIZCTEOSA-N 407.515 1.106 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCOCC2)CC1 1507909945 ABMIAMKBBIFGOU-ROUUACIJSA-N 406.527 1.946 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507949058 XVMCXLSWVLSXRZ-HNNXBMFYSA-N 402.499 1.659 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507952926 BZIIPZGAYUYWFF-IAGOWNOFSA-N 423.583 1.840 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1507967979 POARBASNTIEYIO-BRWVUGGUSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@@]1(OCC)CCOC1 1508098383 ORBRWZAHCXYSFI-WOJBJXKFSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(COC)CC1 1508141718 XXHSYHKNLLQUNY-UHFFFAOYSA-N 406.512 1.199 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1509788695 MFRCPVSDRRXHAO-CDHQVMDDSA-N 404.515 1.535 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C(F)(F)F)c1 1533071966 BGFZCCASFIYHTI-CQSZACIVSA-N 410.377 1.775 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 1535042964 KGBOPOSEFUOFCF-CQSZACIVSA-N 415.397 1.889 30 10 HDEE COC(=O)CN(CC#N)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1538842984 CGPVKYGZXDZYOV-UVTDQMKNSA-N 421.475 1.942 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539059583 HVZZOYIMOSSQHC-HXUWFJFHSA-N 421.549 1.886 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539220443 SHDMMYKNRQOIDP-RDTXWAMCSA-N 408.549 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1539229989 AWTSJIYRNGQCSH-UHFFFAOYSA-N 420.517 1.434 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccn(C)n1 1539291121 MCHSNQHDCFTQAC-UHFFFAOYSA-N 402.462 1.365 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539513723 QQVVXRZBIONKSV-INIZCTEOSA-N 415.567 1.788 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC1 1539534036 XNFMYRJTRJLGOG-HXUWFJFHSA-N 400.527 1.273 30 10 HDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1539802841 AAMBJPOWSJINIC-HOTGVXAUSA-N 419.869 1.494 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1540857860 SWANVRNYDAXBLG-ROUUACIJSA-N 420.558 1.369 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1540890282 CCZDSXQBJGLCCA-RBUKOAKNSA-N 403.527 1.822 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CCc1cnccn1 1540899083 CLRJFUIGKXPTKF-UHFFFAOYSA-N 416.507 1.916 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1543293715 UNZVCEIXDLGVNY-UHFFFAOYSA-N 423.473 1.558 30 10 HDEE N#CCN1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1544072781 RSQPNCGFSZTTCF-UHFFFAOYSA-N 418.295 1.188 30 10 HDEE C=CC1(CC(=O)N2CCSC[C@H]2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1544255352 OKOYCDZBECRZHQ-CQSZACIVSA-N 404.554 1.746 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1nnc2n1CCCCC2 1548184928 HNRAGSAIIKPDNI-OAHLLOKOSA-N 400.487 1.104 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1552727891 DOFIFNCUUXWCOC-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1555240330 FWBVOLNKHGDRQF-FUHWJXTLSA-N 424.505 1.822 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1555484062 NSTVRGWMFMKZNE-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE C=CCOC[C@H](NC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)C(=O)OC 1556375384 IGUIAYWVMVIZIE-XJKSGUPXSA-N 404.232 1.656 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643263 QLCBMTBWNGDXHP-ZFCANOHDSA-N 423.535 1.561 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)c1 1558879769 PGCYFMDLZSXYBO-FQEVSTJZSA-N 415.471 1.201 30 10 HDEE C=CCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)nn1 1561675102 BQVCONHXAMOIAZ-KRWDZBQOSA-N 423.926 1.842 30 10 HDEE C#C[C@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1ccc(Cl)cc1F 1568897430 GXLHHPYUHOVETI-HNNXBMFYSA-N 417.890 1.104 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1568994709 BWIXYUJINDCLHU-KBPBESRZSA-N 414.480 1.053 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)NCc2ccco2)s1 1584130363 NPTJWSNDJVHBRU-GFCCVEGCSA-N 411.505 1.169 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n1 1585624066 AISYRJIBBWHIHD-UHFFFAOYSA-N 400.414 1.707 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)CC2)c1 1586326661 WQKYTGHUMVQIHY-BGYRXZFFSA-N 406.486 1.590 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1586612624 WULNULAYNXTDSS-GJZGRUSLSA-N 415.918 1.918 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CCOCC1 1586730443 RAZCWBNCHKUHLY-GOSISDBHSA-N 410.467 1.005 30 10 HDEE C#CCCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1587894750 ZHDBJFXQMHOFEA-QFIPXVFZSA-N 415.538 1.839 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCCO 1587921675 FPMSOUUJOIDKQF-RXVVDRJESA-N 405.543 1.235 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588053662 GWTHPRNRRYYJEB-VIPLHTEESA-N 424.567 1.206 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCN2CCO[C@H]1C2 1588135022 YZFHYOMVLBKDTN-JLSDUUJJSA-N 402.882 1.496 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N(C)C)CC1 1588923461 AACNJGNIRBWXTK-UHFFFAOYSA-N 423.521 1.093 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CC=CCO2)CC1 1588930186 PHLDWGAAGOWQSY-OALUTQOASA-N 413.522 1.831 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1593690436 LWXOLKFLPWSFGC-UTKZUKDTSA-N 419.526 1.491 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1594943152 LSDVLBNLKHFBHK-CQSZACIVSA-N 406.512 1.276 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1595054093 AKMYQHPJGIHRSL-JSGCOSHPSA-N 402.467 1.759 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)on2)CC1 1595530131 UMEYPLZKLIKNQC-UHFFFAOYSA-N 410.482 1.194 30 10 HDEE CN(C)C(=O)/C=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1596924516 CJTVCRCXTJSDMB-GEBAUQKFSA-N 406.508 1.863 30 10 HDEE CC[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1613641046 HZPPAWUHNJXRHD-ROUUACIJSA-N 411.510 1.800 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCc2noc(CC)n2)CCOC1 1616185195 GMGVKRYWDYYDTR-FQEVSTJZSA-N 415.498 1.858 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)ccc1F 1618088700 XBZOEYYKKJYXMD-OAHLLOKOSA-N 412.483 1.748 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC1(c2ncon2)CCOCC1 1623870774 FCYVVVRLAKFYPX-UHFFFAOYSA-N 407.224 1.905 30 10 HDEE C=CC1(CC(=O)NCCCn2nc3n(c2=O)CCCC3)CN(C(=O)OC(C)(C)C)C1 1626008449 CHGFDSBFKVYOAB-UHFFFAOYSA-N 419.526 1.701 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(-c2cn(C)nn2)c1 1626428114 FMFQOMKOXHCSCF-CQSZACIVSA-N 403.450 1.886 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1626944657 PWTVMAZVTFZJTK-YQTDRKPDSA-N 404.467 1.513 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1628373128 LPSSJTQZOOLBRD-CABCVRRESA-N 407.341 1.942 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1628627634 AGBGECRYNGKIHN-BMFZPTHFSA-N 414.321 1.153 30 10 HDEE C=CCn1c(SCC(=O)N[C@@]2(C(N)=O)CCOC2)nnc1-c1ccc(Cl)cc1 1631306379 RFIAVGXEBDFSTF-SFHVURJKSA-N 421.910 1.637 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CCc4cnccn4)CC3)CC2=O)cc1 1632843029 ILVLQJSUKFORJU-GOSISDBHSA-N 404.474 1.088 30 10 HDEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCN(CCC#N)CC1 1635905656 HEFYDFPLSPYNRW-UHFFFAOYSA-N 416.503 1.738 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)c2ccccc2C(F)(F)F)CC1 1636479755 GICOVNLQXQVXKA-AWEZNQCLSA-N 417.453 1.811 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c2ccn3CC(C)C)CC1 1636480618 SWMOJSGDZKDVFK-UHFFFAOYSA-N 402.520 1.523 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CN(C)C)c1ccc(F)cc1)c1cc[nH]n1 1637077868 HCWZQPYIBYIFBL-MRXNPFEDSA-N 405.430 1.252 30 10 HDEE Cn1ncc2c1CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1637140816 PZSYEBRZXNEDJY-UHFFFAOYSA-N 401.492 1.561 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(F)c(C(F)(F)F)cc2F)c(=O)nc1O 1638406764 HRDBNRIHQPSGHS-UHFFFAOYSA-N 402.279 1.824 30 10 HDEE C=CCC[C@H](CO)NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1638689234 CYOPCKXMEDMETJ-CQSZACIVSA-N 413.503 1.766 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCO)C[C@H]2C)nnc1-c1ccco1 1639024453 WFNBVAYCVVCOAJ-OAHLLOKOSA-N 405.524 1.731 30 10 HDEE N#CC1(C[C@@H](O)CN2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)CC1 1642329225 OEYKZLSLBTVTBL-GOSISDBHSA-N 414.531 1.986 30 10 HDEE C#CC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1642414990 IZYOROWJYMMEAU-LSDHHAIUSA-N 419.482 1.535 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(C[C@H](O)CC3(C#N)CCOCC3)C2)ccn1 1643647965 NYXWSKDDUQIAMC-AEFFLSMTSA-N 402.495 1.356 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cn(-c3cccc(OC)c3)nn2)cc1 1643746271 OPOLJTMEFBLVDW-UHFFFAOYSA-N 411.443 1.440 30 10 HDEE COc1cc2c(cc1O)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1652058160 RMIGCHTUUGKGKI-UHFFFAOYSA-N 415.471 1.791 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1652925957 NKBSUCQWSBVVLD-UHFFFAOYSA-N 406.504 1.500 30 10 HDEE CCN(C(C)=O)c1nc(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cs1 1656571551 AKPFZPCFVMZHPF-UHFFFAOYSA-N 401.492 1.430 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1C(=O)NCC12CCOCC2 1660347404 NWUIYYINWNDPPO-KSSFIOAISA-N 402.520 1.904 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OCC 1663904856 DOLSJZIMSOZPRA-CYBMUJFWSA-N 409.913 1.920 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC 1670894373 VBTMWAVCPCDWRR-HNNXBMFYSA-N 402.494 1.013 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1672153587 FEQAAIJLOGGMKW-UHFFFAOYSA-N 420.535 1.792 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1672553377 OYFLVZWIAGQOFJ-ALOPSCKCSA-N 406.527 1.057 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(O)CCC(F)(F)CC2)[C@H](C#N)C1 1681435752 ZJXUTLXPMBNRMQ-CHWSQXEVSA-N 402.442 1.985 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)nn1 1682167034 LYZHDQIILPMQPK-UHFFFAOYSA-N 405.547 1.090 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3C[C@@H]4[C@@H](C3)C4(F)F)CC2)cc1 1682652787 IDNNWJVARLAEMX-HZPDHXFCSA-N 410.446 1.618 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccnc(F)c3)CC2)cc1 1683108238 GNJSNCDDZJBHTM-UHFFFAOYSA-N 403.439 1.308 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)nn1 1683483216 QSTQEBZDDANIGC-UHFFFAOYSA-N 420.473 1.995 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1683592918 YJNPFVPPCGYPHE-UHFFFAOYSA-N 407.492 1.405 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@H](c4ccc(F)cc4F)C3)C2)c(=O)nc1O 1685411525 ITPYDQHJMNNMEJ-MJHDQNEOSA-N 401.373 1.611 30 10 HDEE CCc1noc([C@H]2CC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)n1 1685474416 OFDZGMMRDRUAQH-LSDHHAIUSA-N 412.498 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1689854781 HTTJZDSPGXNKHJ-AEFFLSMTSA-N 413.497 1.961 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689980626 VKJSYPXVJONNLV-ROUUACIJSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1690015383 KPVHVMBDCAQOGA-DYESRHJHSA-N 411.893 1.863 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690122542 UYXMQNPUKFZJJP-LJQANCHMSA-N 424.524 1.784 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1690667620 BKAPNEHFYIAJSZ-IBGZPJMESA-N 423.521 1.849 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)OCC)CC1 1690723370 PILWYMJIKVQSHZ-UHFFFAOYSA-N 411.528 1.425 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCOC2)CCOC1 1692595926 QNSRYBFDAFAQIB-ABSDTBQOSA-N 405.499 1.474 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1695510623 UZGGTWYIRWBSPG-RDJZCZTQSA-N 404.515 1.610 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](COC)OC)CC1 1698087563 GNQQIWNMNCJJJI-IBGZPJMESA-N 414.510 1.247 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1705515822 NQICBNPIPABWGC-KRWDZBQOSA-N 400.527 1.918 30 10 HDEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CC1(O)CCS(=O)(=O)CC1 1705545367 XLNUQACZOHHNQY-UHFFFAOYSA-N 414.487 1.700 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCOC1 1705592980 AKZGLSQWZUUPAP-SFHVURJKSA-N 416.489 1.810 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705604716 SDTGWPFEARQUIB-FPXQBCRKSA-N 409.556 1.289 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OC)c1OC 1705628054 WOOICIBVKUNPIH-MRXNPFEDSA-N 413.478 1.381 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705830537 RVRYUIJYTMELPZ-RBUKOAKNSA-N 416.526 1.785 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1707294416 UQMWNZRARUJGCA-WBMJQRKESA-N 412.516 1.749 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCCNS(C)(=O)=O 1711086646 RNNIXGIWSDTZIL-QGZVFWFLSA-N 418.523 1.577 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1712372674 NODWIMZBEXNAQR-PKOBYXMFSA-N 424.505 1.870 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722362839 CFZKMMFUUSWPMT-CVEARBPZSA-N 409.556 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br 1722371774 YESOKMAMXWYJDW-UHFFFAOYSA-N 400.227 1.575 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)[C@H](C)CC 1722376846 FIHYZWNYMPIKHZ-VGSWGCGISA-N 418.505 1.791 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(OC)C1CC1 1722391131 XVKSKUKMAQURCN-DNVCBOLYSA-N 407.540 1.166 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)C 1722391891 XWZPLYUKAKKLQJ-JOCHJYFZSA-N 415.538 1.696 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722437358 RTTXGBCDLYYYEH-ROUUACIJSA-N 421.567 1.100 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCn2ccnn2)CC1 1722440082 BCXOFVBPNRIIAY-UHFFFAOYSA-N 420.521 1.337 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1722446343 SKLZWSBIYJPVMG-UHFFFAOYSA-N 418.461 1.157 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ncccc2C)CC1 1722450924 STAICTUIBWPRRP-LJQANCHMSA-N 408.506 1.847 30 10 HDEE C#CCSCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1722451812 HZJKMSJJEGXIQW-UHFFFAOYSA-N 423.340 1.349 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722527705 RBFWSPXNGQPZDW-UWJYYQICSA-N 419.526 1.491 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722608640 IYBFAEBSIBNTAP-HOCLYGCPSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)[C@H]1CC 1722695117 TVGBONZRYBTFFY-GOSISDBHSA-N 419.489 1.510 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2nc(C)no2)C1 1722714665 OAHAUSHOUXHZGR-HUUCEWRRSA-N 401.471 1.335 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)CC)C1 1722720050 FRUOPEJUIOVAFI-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722720626 NCKIVUDDXYEACL-SJORKVTESA-N 409.556 1.293 30 10 HDEE CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1722850269 DVFHAUXVRZNAQN-KSSFIOAISA-N 416.457 1.812 30 10 HDEE CCc1nc(CCn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)no1 1727459452 SYYSDOVXQGXQCD-SCLBCKFNSA-N 407.450 1.632 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1729076786 CEYBCQWHFCCKSJ-INIZCTEOSA-N 419.507 1.407 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1729408247 BAXRISGIMGMABG-KRWDZBQOSA-N 410.478 1.279 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1730498891 TYMNMUKOESRGQM-HOCLYGCPSA-N 416.457 1.380 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740572024 YZFGFSRKMKRIFP-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740614264 LAAPSWUHZYITAQ-UHFFFAOYSA-N 422.482 1.005 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCOC1 1740681266 FKEFDBREWDGPNZ-QGZVFWFLSA-N 422.493 1.433 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740719234 IOAJFDXAWQBKSH-QGZVFWFLSA-N 411.535 1.186 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740784180 MZJFOKDWSICGJK-UHFFFAOYSA-N 411.510 1.414 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1740810753 FYCYWXLZPAZCSG-GJZGRUSLSA-N 418.947 1.565 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740951389 XIDISPZYHHIFDK-QGZVFWFLSA-N 416.526 1.069 30 10 HDEE C[C@](O)(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1741949972 AGKCEFMOVHCAAV-AVRDEDQJSA-N 424.505 1.427 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1748711851 ASNZQAJFBKNXHA-FQEVSTJZSA-N 410.570 1.698 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCC1(O)CCOCC1 1748851658 IYXPCSMHYVWQCR-UHFFFAOYSA-N 408.502 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1CC 1748875178 MCIIJFHRCOFWCS-UHFFFAOYSA-N 421.549 1.884 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(OC)CCC1 1748891808 GLXYBBCCAGPNAQ-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C1CC1 1748900542 GAXLZVCVYZZJQZ-UHFFFAOYSA-N 424.530 1.259 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCSC2)CC1 1749019566 ZLRWDOKJHUWVCP-DOTOQJQBSA-N 403.552 1.849 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(OC)CC1 1749650182 MSURZYQPSYGGMA-FQEVSTJZSA-N 404.515 1.212 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)OC(C)(C)C1 1749659761 JBTYDHPZRYLPGZ-CQSZACIVSA-N 413.478 1.980 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1750388589 QFTBWXZEFLTKOI-JKSUJKDBSA-N 421.548 1.484 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1750955673 CASZUQZPWAARPR-QFIPXVFZSA-N 423.521 1.888 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760155433 XYUSKALBEALIEC-DLBZAZTESA-N 423.583 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCS(C)(=O)=O 1760198981 MGPOWMIXKMEONE-UHFFFAOYSA-N 400.460 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1760214974 KFYWMXPRSHQBEH-UHFFFAOYSA-N 406.899 1.006 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(F)cn2)CC1 1760257127 PCJBZDWNNDNDQM-INIZCTEOSA-N 402.474 1.340 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCC2)CC1 1760272112 ZFOFSXUKZNDFGP-UHFFFAOYSA-N 408.506 1.145 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760442157 HUEYXEWOGWFRBA-IAGOWNOFSA-N 402.499 1.466 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)CC)C1 1760544723 GFVWABADDJSCBR-INIZCTEOSA-N 406.512 1.061 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1760688315 FUINGSNXHRTOJD-NEPJUHHUSA-N 422.540 1.242 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)C 1767864393 SJYHKIYFGBETOF-UHFFFAOYSA-N 413.482 1.122 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C)n1 1770049608 DSFWEFUEYMUPDW-AEFFLSMTSA-N 400.483 1.677 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1770147085 YTKFYNUXHWCXPP-QFIPXVFZSA-N 424.505 1.586 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1770727474 GMCCUYWKAOISGV-DYESRHJHSA-N 412.469 1.956 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCC(C#N)CC1 1772886950 IDJZUPZJBQNBAC-UHFFFAOYSA-N 405.528 1.353 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 1851959779 YAHOXGJZUUHSMJ-DOTOQJQBSA-N 414.437 1.547 30 10 HDEE COc1ccc(-c2noc(CN3CCN(c4nccc(C#N)n4)CC3)n2)cc1OC 1852379501 ZIDZUPFCECBQHK-UHFFFAOYSA-N 407.434 1.738 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852760554 UGFQZBZTZGIRTK-UHFFFAOYSA-N 402.358 1.361 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1853648382 OKJQYYXYKAGYPK-SFHVURJKSA-N 403.504 1.589 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3csc(-c4cnccn4)n3)C(=O)C2)C1 1854238068 MVJIQFWQNVHTGE-HNNXBMFYSA-N 412.519 1.535 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C1=O)CC2 1855022491 BKVLMWDTMGSMLT-RDJZCZTQSA-N 412.469 1.195 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)c3cnn4ccc(C(F)(F)F)nc34)C2)CC1 1855837747 NLZKYKYQUYIEEQ-CYBMUJFWSA-N 420.395 1.972 30 10 HDEE Cc1cnc(C(F)(F)F)c(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c1 1856059065 WNHAOCSAKWLMQT-UHFFFAOYSA-N 418.397 1.325 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(Cc4ccncc4)CC3)CC2=O)c1 1856636950 XUICNZWZRIQTMY-FQEVSTJZSA-N 403.486 1.760 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C)cc3C)C2)CC1=O 1856902065 ICGDUAKOCOUDAS-HOTGVXAUSA-N 408.476 1.186 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874499596 VCRWQTSWGODFIU-AWQFTUOYSA-N 423.495 1.648 30 10 HDEE O=C(N[C@H](CC[S@@](=O)CC#CBr)C(=O)O)OCc1ccccc1 1883403560 WZOQGDAPSGIYOX-ZLOXQWCVSA-N 402.266 1.861 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1891234358 PTFMWBJPFURWEM-UHFFFAOYSA-N 405.437 1.940 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cnc(NN)c(Cl)c2)CCN1Cc1ccccc1 1914880619 CAVSARWLRPZFCG-AWEZNQCLSA-N 406.899 1.419 30 10 HDEE CN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@@H](C#N)C1 1969771037 OUIZDZKVGSQPRJ-IBGZPJMESA-N 415.538 1.679 30 10 HDEE C#C[C@@]1(O)CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 1984760552 VVDGUPAPAJGXKQ-PKTZIBPZSA-N 413.518 1.752 30 10 HDEE Cc1sc(C(=O)O)cc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2162598898 MALKVDKWNYKGBE-NSHDSACASA-N 415.493 1.888 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@H](C1CC1)C(F)(F)C(=O)O)C(F)(F)F 2180581280 NGOUJFSUPQUCJP-ANLVUFKYSA-N 400.222 1.601 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CC1 2181104839 DTVFORCEQCKEKJ-QGZVFWFLSA-N 417.553 1.316 30 10 HDEE Cn1nnc(Br)c1[C@H](O)[C@H](N)C#Cc1ccccc1Br 2235720339 CFADZPGKVUQQQE-ZYHUDNBSSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2243417117 LSDLOFLWSRYYFZ-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE CN(CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243419093 RJTHXQMHBQQZFS-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H]2COC[C@@H]12 2243429702 GVVRFKUILZNMKO-RRFJBIMHSA-N 406.288 1.372 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CC[C@H]3CNC4)cc2Cl)OC1(C)C 2282304409 KFTOOWAXZBVLSG-QFYYESIMSA-N 418.777 1.731 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](N)C[C@H]1C 2282321011 QNDAHIGDLLTXJF-DGCLKSJQSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@](C)(=O)[C@@H]3CCNC3)c2)OC1(C)C 2282330366 YQFRXLVOANXQNF-XELLLNAOSA-N 420.387 1.196 30 10 HDEE CCCNC(=O)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336244 AEUAVGMIVIFWHB-NSHDSACASA-N 402.347 1.240 30 10 HDEE COC(=O)CCCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282344571 CJYIZKZGASPGPQ-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2282347070 SJMDTTLROHRUCK-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2282419302 OGBSTEVXWFGSEJ-MRXNPFEDSA-N 423.340 1.510 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3CCC[C@H]3O)c2)OC1(C)C 2282420224 WCKJVMTXVATAHZ-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282496399 ACGIBMMXXNUTGH-QWHCGFSZSA-N 401.359 1.571 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282499255 NYLNHNJESNIROV-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H]2C[C@@H](O)C2)OC1(C)C 2282502434 LCWQUBYVCHZISD-XBXGTLAGSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=[S@@](C)(=O)N3CCOCC3)cs2)OC1(C)C 2282632719 OKYGTBAXVFAEIU-AREMUKBSSA-N 400.331 1.533 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCO[C@H]3CCNC3)c2Cl)OC1(C)C 2282646353 OGHAGZIDIVZXKP-NSHDSACASA-N 400.737 1.809 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)[S@@](C)=O 2282825291 ISYYSHOKCDBHMJ-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(N)=O)C(C)C 2282829716 IXBZMVYTOMRUIR-CYBMUJFWSA-N 402.347 1.144 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](CO)C1CC1 2282830358 SHNARFXHWBMRQE-ZDUSSCGKSA-N 401.359 1.653 30 10 HDEE CN(CC(C)(C)N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282839793 JBYLRBREKPNBQK-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(C)(C)C1 2282847743 DFXMYCWNAJXNEO-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282849138 XGLHKVVIBAJXEF-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE C=C(CS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)B1OC(C)(C)C(C)(C)O1 2282871002 AHHUBOBZHMKKMK-AGUYFDCRSA-N 405.347 1.202 30 10 HDEE C[C@@H]1CC[C@@H](CN)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881756 BTNJSHXONONRPJ-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@](C)(CO)C(F)(F)F)OC1(C)C 2282881918 DXHJOLBELXQMLA-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1C[C@@H]1C(=O)O 2284406086 UCAWUXAJFYSKEC-DCAQKATOSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CCCNCCC2)OC1(C)C 2284499643 NWYHNZICVPSGLE-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@@]4(CN)C3)cc2Cl)OC1(C)C 2288265875 CEQSPOHXQMMFHC-QLJPJBMISA-N 418.777 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303108698 JRGZVCUWCNTAJR-KBPBESRZSA-N 423.319 1.417 30 10 HDEE CS(=O)(=O)C1(C#CC2(OCC(=O)O)CN(C(=O)OCc3ccccc3)C2)CC1 2319395138 ZRJMWUILUIPSCD-UHFFFAOYSA-N 407.444 1.059 30 10 HDEE COC1(C#C[C@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2338328737 MPTOXVLZQRPXAN-SIKLNZKXSA-N 402.491 1.676 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCC1 2342073781 GVCPCXFAWIDHQB-GHTZIAJQSA-N 420.531 1.448 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CCC1 2342073854 HPFVEKQRJCWBRL-GOSISDBHSA-N 420.531 1.448 30 10 HDEE CNS(=O)(=O)[C@H]1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2364857475 CGVSEDIUTURRDH-LBPRGKRZSA-N 401.725 1.162 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2365198598 HNULEFMVPKAVRY-AUUYWEPGSA-N 404.573 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C1 2365200683 AITYUOGMWOUYFY-IBGZPJMESA-N 401.525 1.780 30 10 HDEE N[C@H](C#Cc1ccn(C2CC2)n1)[C@@H](O)c1ncc(I)s1 2365975793 MUHNJTMISNXAPD-ZYHUDNBSSA-N 400.245 1.692 30 10 HDEE CN(CCC[C@@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1)C(=O)OC(C)(C)C 2367812309 RPMDFDJXHBLWAS-CRAIPNDOSA-N 402.557 1.683 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2367825882 TTXONAAGIKOWBQ-AUUYWEPGSA-N 400.541 1.163 30 10 HDEE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1/C(O)=N/C1=NC(=O)CN1 50222178 GZGAPZZRPLPCQN-UHFFFAOYSA-N 406.398 1.672 30 10 HDEE COc1cccc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)c1O 59815804 UBORDWVTNISXSC-REZTVBANSA-N 403.424 1.992 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)[C@@H]1CC(=O)N(c2cccc(OC)c2)C1 96348683 OKVGRLLZIBUETQ-QGZVFWFLSA-N 405.454 1.576 30 10 HDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)cc1 253575137 UGIVDXOWCMQAGO-DEDYPNTBSA-N 403.512 1.516 30 10 HDEE Cc1ccc(N2C(=NC(=O)COCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1C 254382463 ZDMBMAQWDXCZAD-ZIAGYGMSSA-N 412.489 1.006 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](CO)OC[C@H](CO)OC(CO)CO 263584322 PVPULAXNWFILAK-PMACEKPBSA-N 422.559 1.559 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2ccc(Br)cn2)CC1 301379348 ZICWBWVDEUEDFC-UHFFFAOYSA-N 422.308 1.690 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(O)CC3)c2)cc1C#N 427212441 LKWJBTSVVZDNQG-UHFFFAOYSA-N 400.460 1.659 30 10 HDEE Cc1ccc(C(=O)NCc2c3c(nn2C)CCCC3)cc1S(=O)(=O)NCC#N 428474784 LXWKKCZTVQQRIH-UHFFFAOYSA-N 401.492 1.339 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCCC1 443095809 HCDXZMORVSHSIA-UHFFFAOYSA-N 407.464 1.246 30 10 HDEE COCc1noc(CN2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)n1 444729980 GPFBROBKIKQOCO-BQIYRTECSA-N 418.542 1.653 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 464046321 JSVWCEBANDRQGS-BRWVUGGUSA-N 421.494 1.423 30 10 HDEE Cc1cc(F)cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 474034104 RLLWZBBHVVOUEX-UHFFFAOYSA-N 423.491 1.701 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)C1 479903520 QAKKBCYYVYJWPJ-CQSZACIVSA-N 422.532 1.785 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(F)c1 480695123 PBOHLMZNLLCLQD-IBGZPJMESA-N 403.479 1.884 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)n2ncnc2n1 481016549 BAUTVMHQQVSIES-UHFFFAOYSA-N 415.454 1.096 30 10 HDEE C[C@]1(c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)NC(=O)NC1=O 481061917 RVAKGVRJGMDCQU-LJQANCHMSA-N 416.434 1.372 30 10 HDEE CC(C)N1C(=O)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1(C)C 482406099 ZQDHQCSDQQGFLY-AWEZNQCLSA-N 406.508 1.083 30 10 HDEE CCn1nccc1CN(CCO)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483474825 KVXHSYCFDXEPLR-AWEZNQCLSA-N 405.480 1.615 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 503425902 IXUHMOATWUOSDF-JFVMQHJUSA-N 401.463 1.171 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)CC1 503457633 BAUXFTXVMHNGSQ-UHFFFAOYSA-N 401.448 1.556 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 508478933 VJJMQIWHKLXNCV-UHFFFAOYSA-N 420.495 1.947 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)c3ccccc3Cl)CC2)C1=O 519109488 VXPBEEKCLVTWRK-CQSZACIVSA-N 418.881 1.522 30 10 HDEE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 522210712 XGVBMGZRJXQOQZ-OAHLLOKOSA-N 414.447 1.902 30 10 HDEE COC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 532513424 XZAQQTNQXMJLME-HOTGVXAUSA-N 414.506 1.851 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)n1cnc(C#N)n1 537302792 HDVFTWCXZUTQBF-OAHLLOKOSA-N 411.466 1.023 30 10 HDEE C=CC[C@H](CO)NC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 545367694 FZJIZLOXFXIYFC-SQNIBIBYSA-N 417.506 1.907 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 549282636 OQVDBPPMQFAWQB-HZPDHXFCSA-N 409.556 1.497 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)C)CC1 549842098 ZXARNCJTSLWMNT-UHFFFAOYSA-N 407.522 1.897 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 555266177 WVCHUXUGEVREFL-MAUKXSAKSA-N 413.544 1.192 30 10 HDEE COCCN1CCC[C@H]1CNS(=O)(=O)c1cccc(Br)c1C#N 557431676 PYDONNFSHQQPMC-LBPRGKRZSA-N 402.314 1.710 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 562171203 WITVJHGNRRDLCL-AWEZNQCLSA-N 410.459 1.295 30 10 HDEE CC(C)[C@](C)(CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 574322902 TUOHALMORQRVPY-FQEVSTJZSA-N 401.467 1.451 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 611264576 PQZWHKFCHVKXJZ-UHFFFAOYSA-N 421.523 1.320 30 10 HDEE C[S@](=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 613695299 DHEVNBMZICXOOT-MHZLTWQESA-N 417.512 1.442 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105701 HGFMNUODPIHQLY-UHFFFAOYSA-N 424.505 1.493 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)CC1 619551044 PCGRPSQBEBPMRO-UHFFFAOYSA-N 416.478 1.254 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 670208302 UUYYCKYVPAUVQL-AWEZNQCLSA-N 410.438 1.771 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO2)CC1 670307255 MHRYZYKMECJAGA-IBGZPJMESA-N 424.549 1.857 30 10 HDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707938 JPFMBRWSKGTPDF-QGZVFWFLSA-N 416.441 1.883 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 738169591 KDPKYUOFNCAZPS-OFNKIYASSA-N 424.549 1.385 30 10 HDEE Cn1cc(Nc2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)cn1 748383617 XBGQRPLLDBDXHW-UHFFFAOYSA-N 410.459 1.841 30 10 HDEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 752443206 HVDMCPVLPLGBFT-IWHJNQCMSA-N 405.476 1.272 30 10 HDEE C=C[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757011494 APMDCNJHSUBWEV-LLVKDONJSA-N 403.298 1.774 30 10 HDEE C#CCN(C(=O)c1c(F)cccc1I)[C@@H]1CCS(=O)(=O)C1 760521715 VZKARIKZGOJQTI-SNVBAGLBSA-N 421.231 1.693 30 10 HDEE Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553680 XWQFZOWVTIPVLV-QFIPXVFZSA-N 404.474 1.808 30 10 HDEE COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 761958746 HEHCKXMSGGLLPF-KRWDZBQOSA-N 408.462 1.077 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1 767435054 HRBHRWNTZKCPEA-OAHLLOKOSA-N 406.485 1.842 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1)c1cc[nH]n1 772452768 KXDMMMPZPZSDAA-UHFFFAOYSA-N 408.436 1.044 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(OC)cc(OC)cc2OC)c1 777897117 JXIOPIWSBMESNV-UHFFFAOYSA-N 418.471 1.953 30 10 HDEE COc1ccc(O)cc1C(C)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 779762597 KEGFVDGPPMQQNE-UHFFFAOYSA-N 419.507 1.568 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](OC(F)F)C1 781411835 CCYKMOOIXPADJB-GFCCVEGCSA-N 401.435 1.736 30 10 HDEE C#CCCN1CCC(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 782709399 RGTPAZZVOOQJCB-UHFFFAOYSA-N 406.280 1.998 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CCCC2=O)cc1C#N 787428986 AVXIMDYQDUAHIS-UHFFFAOYSA-N 420.469 1.622 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)n1 788815043 UHJPTYMVOPCZOO-UHFFFAOYSA-N 406.442 1.587 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 788824576 POCYTCXQNIMVJK-KRWDZBQOSA-N 417.510 1.381 30 10 HDEE C=CC[C@]1(C(=O)NCCN2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790300787 HGYOBWLJHOXFPC-OAQYLSRUSA-N 408.543 1.613 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(CCO)c2-c2ccccc2)n1 793981044 CYOYZGUVBIZUJQ-UHFFFAOYSA-N 407.474 1.661 30 10 HDEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 796488953 GOZPERINXFRABB-ZBFHGGJFSA-N 402.499 1.659 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@](C)(O)CO)c1 797617626 IBOPMGRLTAYFGC-TVJQZGFISA-N 412.512 1.144 30 10 HDEE COC[C@@H](O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 801672347 QUFNOXFEXNRWSN-OSGFXRFRSA-N 412.512 1.408 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 801958439 GOAPYEYDUGUNED-IFMALSPDSA-N 404.505 1.856 30 10 HDEE CCCc1nnc(SCC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1N 813440323 MLXHOVZAUMWVTL-UHFFFAOYSA-N 400.508 1.978 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC([C@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813753548 GKUCTWABYJNHGN-QZTJIDSGSA-N 413.478 1.363 30 10 HDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccco1 1084381653 IAYKPALDVXRROW-UHFFFAOYSA-N 416.423 1.348 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)C1=O 1130029619 AEDHJGRFSDVCKN-UHFFFAOYSA-N 404.448 1.495 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)CC1 1131212043 NANXAALGRLXDAS-STQMWFEESA-N 413.362 1.932 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOC[C@H]3C)c(Cl)c2)C1=O 1131726187 YUNLUKOMEZJRHL-GFCCVEGCSA-N 420.853 1.480 30 10 HDEE C[C@@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1134525873 MXNPWGGGLYASLC-HNNXBMFYSA-N 421.494 1.319 30 10 HDEE N#C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1140739903 USBHFDJBNWJCEH-AWEZNQCLSA-N 405.863 1.706 30 10 HDEE Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)cc1B1OC(C)(C)C(C)(C)O1 1142827299 GGUCPFSIUSHBDU-MRXNPFEDSA-N 404.341 1.898 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@@H]2CCCS2(=O)=O)n1 1143259545 MYBIMOADVIRJFD-NSHDSACASA-N 413.550 1.706 30 10 HDEE C[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C(N)=O)C1 1154942342 LPEZEZFHKOUVJJ-VQQOQKSQSA-N 404.511 1.886 30 10 HDEE C=CCOC[C@@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)C(=O)OC 1155778788 AEJQMHRUNGHBSR-QGZVFWFLSA-N 418.490 1.909 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)[C@@](C)(O)c1ccccc1 1164485812 NAELLQCTURGUDW-BXTJHSDWSA-N 401.488 1.637 30 10 HDEE N#Cc1ccc([C@@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)CCO2)cc1 1176588049 QNIWGGNPHORFJM-FQEVSTJZSA-N 406.490 1.460 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 1177718961 WRJUZTIGIHWUSD-BLGFXRMMSA-N 401.488 1.856 30 10 HDEE COC[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1228558352 XBUGCYPICLGHKT-VKJFTORMSA-N 411.911 1.650 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CC[C@@H](OCC=C)C3)c[nH]2)C1 1254564190 CQPDKDFSJTXTGP-JKSUJKDBSA-N 409.508 1.397 30 10 HDEE C=CC[C@H]1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1280379739 ZNNOPKJCIDKAHA-INIZCTEOSA-N 408.520 1.683 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccccc1F 1286380217 GFUCRFHMNRVGON-YJBOKZPZSA-N 415.469 1.641 30 10 HDEE C#CCN(c1nnc(CC)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286391030 BPDRTMZHEJBPFV-KRWDZBQOSA-N 407.584 1.589 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1286394000 SNYDAIKORKKRNY-SFHVURJKSA-N 411.487 1.532 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1286503522 HBFUHINLWVUMDM-UHFFFAOYSA-N 401.540 1.494 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1286608625 SMXNNNRMCZUDRA-PCKAHOCUSA-N 400.520 1.957 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1288539080 RARWJABUTOPVGJ-YBOAYWMSSA-N 424.505 1.855 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(C)ccc(Br)c3[nH]2)CC1 1297520123 NEJQGZCGLMNOJQ-UHFFFAOYSA-N 417.307 1.746 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1297798204 BLGOGBCOBGJNFV-SFHVURJKSA-N 408.520 1.733 30 10 HDEE CO[C@@H]1COCC[C@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1298391086 HUBOWGKVTQPICJ-YFUGFCHXSA-N 407.511 1.941 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298486721 FDANHMIFQIURMO-JJZHFEBDSA-N 418.473 1.493 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298486722 FDANHMIFQIURMO-LBZGVKKDSA-N 418.473 1.493 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1300324884 OEBVJCXLBGJZTB-OAHLLOKOSA-N 420.473 1.866 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCN(C(C)=O)CC1 1300431962 PRRFCHZUSIXEEM-UHFFFAOYSA-N 420.561 1.982 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300467217 DXAGKTIAGKELAD-INIZCTEOSA-N 408.428 1.596 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1300497700 CHGWAHXSMDRZQU-SFHVURJKSA-N 424.530 1.701 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1300530037 WBWRQXQPTFPZLO-OAQYLSRUSA-N 410.547 1.554 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1300532168 PNBFIVDANZHLGE-UHFFFAOYSA-N 416.529 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1300545956 YRGBCPDXXBTRSH-UHFFFAOYSA-N 423.480 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(CC)CC)CC1 1300686206 YIGJTFUYGCPKRV-KNQAVFIVSA-N 418.586 1.416 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cnn(C)c2)CC1 1300719959 XKLBJAPSBWHPQL-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300776767 MYVKHDFMOOGAEM-QGZVFWFLSA-N 404.540 1.975 30 10 HDEE COC[C@@H](Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301015681 VTFXNQANUXZFCT-QGZVFWFLSA-N 421.461 1.536 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2nccs2)CC1 1301490734 DNBVMBMCLDYHGW-UHFFFAOYSA-N 412.523 1.821 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2)CC1 1301497815 FFQITFVOSKZCRN-GOSISDBHSA-N 423.521 1.248 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C(C)C)C1 1301556243 GLDMGNIPOANPMW-FRQCXROJSA-N 412.556 1.369 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(O)cc2)C1 1301558805 YYRCPXNECZLYBP-SJLPKXTDSA-N 418.519 1.715 30 10 HDEE COCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1301637735 FJHKEOOFOCBXLI-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCOCCCO)c1 1302982245 HMAVQXHMOJKEAQ-RBUKOAKNSA-N 424.505 1.463 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc(-c4cnccn4)n3CCCCCO)CC2)nc1 1302991368 GTVCXWFUFSWUAR-UHFFFAOYSA-N 419.493 1.491 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1303361103 WOXDNZUXPQDCRP-AYGAQVIVSA-N 415.498 1.177 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C2CCC2)n1CCS(=O)(=O)N1CCSCC1 1303635498 HABCKLUHIPSMIZ-AWEZNQCLSA-N 412.585 1.663 30 10 HDEE C[C@@]1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1303991743 NWOHVCFJIDPRLY-YLJYHZDGSA-N 401.442 1.542 30 10 HDEE C#CC[C@@]1(C(=O)N2CC(n3cc(C(C)=O)nn3)C2)CCCN1C(=O)OC(C)(C)C 1304904015 KEPPBPDIHTYMJE-FQEVSTJZSA-N 401.467 1.657 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)CC1 1309374990 AZHDIIDWSGJJIB-CQSZACIVSA-N 412.309 1.946 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1313178102 MRZRAKWVGHQHPA-UHFFFAOYSA-N 414.462 1.225 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)cc1 1313387496 DWGSJKIFLJFQMX-MRXNPFEDSA-N 408.462 1.886 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](F)COC 1314389081 HLWCUQQQIVZUFE-INIZCTEOSA-N 403.462 1.392 30 10 HDEE CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314533929 JXYHNUHPSPZNPY-UHFFFAOYSA-N 402.480 1.125 30 10 HDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1315779220 BZZDDXAFNXXQSP-ZTFGCOKTSA-N 413.478 1.459 30 10 HDEE COC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1)OC 1315802299 GVRYEFGUXXKSBV-JXFKEZNVSA-N 403.458 1.981 30 10 HDEE COCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1316263314 GZOPPWAPPHDXCI-SFHVURJKSA-N 404.402 1.958 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCC(=O)N2)cc1 1316531973 YBSLLUMELQQQGT-DOTOQJQBSA-N 407.478 1.187 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1318521208 KAQJJJWKHGFLGX-KRWDZBQOSA-N 413.522 1.863 30 10 HDEE CN1CCC(OCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1357484704 TYHUOOURVDTMSL-DYTRJAOYSA-N 408.524 1.549 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCSC1 1358986510 YHRBSIHETLNZHP-PMACEKPBSA-N 404.536 1.261 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359054587 AIWRTPKZMWSEGS-OXJNMPFZSA-N 414.535 1.876 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359141247 AODZJRGACDWMKE-ZDUSSCGKSA-N 419.873 1.955 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)C2CC2)CC1 1359174527 GAXFPRAGQZYMMP-OAQYLSRUSA-N 403.527 1.859 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359228594 HRLZMPXULSWQHZ-HXUWFJFHSA-N 416.551 1.943 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(Cn2cncn2)CC1 1359297153 HIDLBZZOLQBSRS-UHFFFAOYSA-N 424.484 1.895 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1359334590 KTNQVGFNISONNP-OAHLLOKOSA-N 407.521 1.260 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[C@@H]1CCCOC1 1452203166 MBJZTYYTPYQHKL-NVXWUHKLSA-N 405.520 1.923 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 1452946183 NCHJIQLAXGBUGE-QGZVFWFLSA-N 414.466 1.480 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)cc1 1454253831 AOGXHQUPKQAKOV-MOPGFXCFSA-N 408.483 1.911 30 10 HDEE Cn1cc([C@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2)cn1 1454504887 GSXBGZJPFLTBAO-RDTXWAMCSA-N 412.881 1.471 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)[C@H]2COCC[C@H]21 1460221223 HNKLTCBTGAIQSP-KYJSFNMBSA-N 423.560 1.765 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466078259 SBPADORAQMNJBW-FMPZLKCCSA-N 423.510 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CC[C@@](O)(CC#N)C3)nn2)CC1 1469406389 TZWRGDVSNFACQA-YWZLYKJASA-N 418.498 1.731 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 1479312567 ITRALQPFYYFMHC-CTNGQTDRSA-N 409.534 1.217 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)n1 1492510618 XMPCBXYKIWTPDO-GOSISDBHSA-N 422.486 1.152 30 10 HDEE CCCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1500939028 JTRJUOSCPYEHFC-SJORKVTESA-N 401.515 1.080 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1503829446 CBKZRLSNMSMYMU-UHFFFAOYSA-N 402.402 1.364 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2nnnn2CC2CC2)c1 1507545922 CQMKPFVHFCYVSO-UHFFFAOYSA-N 405.466 1.088 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Cl)cn1 1507659175 MISIZHBSGGGAIZ-RDJZCZTQSA-N 402.886 1.625 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cccs1 1507710390 ORSKAGMDKVOSMY-IBGZPJMESA-N 400.508 1.734 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)cc1 1507712723 NDKQKYAYCAHGDI-GOSISDBHSA-N 410.478 1.322 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507746674 ANOYHBDQCLVLIM-INIZCTEOSA-N 400.508 1.048 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507843062 HDHOUSDEUQSNLD-DLBZAZTESA-N 415.498 1.133 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1507971256 KBGPECLXFAEBDS-UHFFFAOYSA-N 409.498 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508133321 HBXGTPSJJQHNDO-HUUCEWRRSA-N 419.507 1.162 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1508741668 BWYDYPYZMYSUDT-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NC(=O)C#CC(C)(C)C)cn1 1515186105 UGMMROUHYZRCJQ-BHQCHZOVSA-N 410.518 1.304 30 10 HDEE COC(=O)[C@]1(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@@H]1c1ccccc1 1516425858 RQAAXARPQJBTMH-XMSQKQJNSA-N 407.474 1.596 30 10 HDEE Cn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)cn1 1517378840 AMFFAAXKFWBBJR-QGZVFWFLSA-N 411.491 1.222 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1518466282 DRAZSQUVPLKSKO-IBGZPJMESA-N 421.498 1.754 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)C1 1521069541 NJMIPHAQXQZBOT-SFHVURJKSA-N 422.486 1.111 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)C1=O 1526809259 IBYVTGQQNXNUBO-HZSPNIEDSA-N 421.494 1.472 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)c(C#N)cn2)C1=O 1530235419 VXFGJFLWJMMQGR-NRFANRHFSA-N 407.430 1.984 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@@H]32)C1=O 1534859759 LMYNUEZIFPASBH-BYCMXARLSA-N 418.247 1.180 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537825128 WHSRUTWENWKAFC-NVXWUHKLSA-N 408.476 1.605 30 10 HDEE Cc1cccc(CN2CCCC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538308785 UHYIBGIKXLNXPE-ZVDOUQERSA-N 401.532 1.746 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3COC3CCOCC3)C[C@H]1CS(=O)(=O)C2 1538761377 XXIJXUKKWQJRTN-OXJNMPFZSA-N 404.488 1.393 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1539020290 AEGQCTOSBKURJW-KRWDZBQOSA-N 421.505 1.223 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1539025130 DSBPUOKZDPPHFG-CQSZACIVSA-N 416.551 1.890 30 10 HDEE CC(C)(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OCc1ccccc1 1539119124 SWVBITRRPHVFDZ-OXJNMPFZSA-N 419.503 1.478 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CC(OCC)C1 1539161201 CVVGDRWXONDGLZ-UHFFFAOYSA-N 400.479 1.962 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)[C@@H](C)CC)CC1 1539459810 OPXRUBYEZIJGKK-FXAWDEMLSA-N 413.570 1.956 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCCC 1539541978 QVFOOLYJVIDWPQ-RTWAWAEBSA-N 403.527 1.837 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1539757913 DBBGAFVXRQFOCD-HXUWFJFHSA-N 401.515 1.434 30 10 HDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1540003455 OEIQAKMPJKYJPI-UHFFFAOYSA-N 419.388 1.482 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1540125968 DHTDQDFPGRREIC-GCJKJVERSA-N 410.522 1.488 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1540862073 QJSNLADCGAPKOW-SZMVWBNQSA-N 402.499 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540865431 GRDAZQLLULDNHF-IPMKNSEASA-N 406.490 1.838 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1540873766 JAICDMGGMUBNBN-MUUNZHRXSA-N 401.536 1.907 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1C(C)(C)C 1540876406 QDNXSADJVKYBAL-UHFFFAOYSA-N 417.558 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1540898837 WMBPWYOLHDTUDJ-AWEZNQCLSA-N 413.544 1.633 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1541112474 HVLRZJOGHCFXKC-GOEBONIOSA-N 405.466 1.454 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCSC1 1541349647 RJDFFZXZCQFIDX-IBGZPJMESA-N 400.508 1.804 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1541477480 GXBUNRQIAYCMNK-SFHVURJKSA-N 411.510 1.485 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1ccc(I)cc1N 1542362038 IGRCLJPYANJCIV-UHFFFAOYSA-N 407.215 1.982 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 1546088865 CMCKYQOLJPNZTE-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H](C)CC)C(=O)OC)ccc1F 1557189672 ZQBVIKCCONIAAH-WFASDCNBSA-N 400.472 1.998 30 10 HDEE C[C@H](O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F 1557345222 RCAPCLTXFPXSCF-DJJJIMSYSA-N 419.478 1.883 30 10 HDEE CCOCCOC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1559485085 UQCTXLKWPWPPEH-LJQANCHMSA-N 420.579 1.974 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCO1 1561631476 FJIUQFAOMXVFIA-TZMCWYRMSA-N 401.286 1.450 30 10 HDEE Cn1cc(I)c(CNC(=O)NCc2ccc(C#N)s2)n1 1564747416 XJDXKMUQJUCAKI-UHFFFAOYSA-N 401.233 1.957 30 10 HDEE C#CCN(C(=O)NCc1nc(N)n[nH]1)[C@H]1CCOc2ccc(Br)cc21 1565225299 UBNWLYLZMDDUEI-LBPRGKRZSA-N 405.256 1.818 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1F)[C@H](C)O 1583563043 NQTIOTUYSLTMRE-ZJNRKIDTSA-N 405.451 1.602 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3sc(C(=O)OC)cc3c2)C1=O 1585828710 NXZSDYMEXJJTLB-UHFFFAOYSA-N 401.400 1.603 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1587915876 UYRUKGZEPBHQPC-KURKYZTESA-N 407.559 1.959 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1587989102 HBIDFEUDEUOFMB-GOSISDBHSA-N 415.519 1.394 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1588385856 KZVLLHTXYMTHPZ-QGZVFWFLSA-N 417.535 1.870 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1588765028 DJMTYWVUEOXHEK-UHFFFAOYSA-N 415.309 1.104 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589529637 ORSDSSVQTASWNU-NRSFXHEJSA-N 400.483 1.566 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1596822492 LCVZDFZPMUBZSH-ZMSDIMECSA-N 411.514 1.228 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1603609151 TYWWRRVELZJMOX-CQSZACIVSA-N 423.963 1.810 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)cc1 1614518451 RJWKPSHBEMOUPK-YOEHRIQHSA-N 415.471 1.031 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1614975477 DDRPQMCANBRLTH-AWEZNQCLSA-N 418.523 1.613 30 10 HDEE Cn1cc(C(=O)N2C[C@@H]3COC[C@@]3(COc3ccc(C#N)cn3)C2)c(C(F)F)n1 1615066835 LPXRYRHMNLUVMK-BFUOFWGJSA-N 403.389 1.792 30 10 HDEE CSc1ccc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1616341628 XAEWBNTXVIHETM-UHFFFAOYSA-N 418.519 1.976 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1618070888 GRWDCRXTXPXDPW-GHMZBOCLSA-N 401.282 1.734 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618938903 GRLPDDNMEXGLCC-INIZCTEOSA-N 404.478 1.968 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1620142052 BQZXKPMBTGDJPB-KRWDZBQOSA-N 408.466 1.623 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(N2CCOCC2)CC1 1622094495 GLZSWJRMNMYZBV-UHFFFAOYSA-N 400.298 1.464 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H](C)O1 1628411317 CPUJJGNXPBLHJB-DEUHWOFDSA-N 421.494 1.562 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccccc2C(=O)NCc2ccccc2)c(=O)nc1O 1629237050 FTQGCVXUEKMBGA-UHFFFAOYSA-N 417.425 1.779 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1629712536 GRBSNBUMIBFNPO-OAHLLOKOSA-N 406.483 1.862 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1630478390 CEVCRBJPYBNKSU-ZIAGYGMSSA-N 423.473 1.886 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCC[C@H]2C=NNC2=O)nnc1-c1ccco1 1630632490 UPCKVSBGWJBJAR-ZDUSSCGKSA-N 402.480 1.835 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1631730128 KTIFBKNQSVKIBJ-CZUORRHYSA-N 409.508 1.804 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)nn1 1632031469 JNZCGPCMOJJQRE-QGZVFWFLSA-N 417.535 1.993 30 10 HDEE C#CC[C@@]1(C(=O)NCCN2CCC3(C2)OCCO3)CCCN1C(=O)OC(C)(C)C 1633489255 TUIWGINJKBYDMO-FQEVSTJZSA-N 407.511 1.344 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1637390424 UOQFLKWUPNZUNO-GJZGRUSLSA-N 413.312 1.946 30 10 HDEE Cn1cc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)c(-c2ccc(C#N)cc2)n1 1638375646 QASNYCFKODSLSW-ROUUACIJSA-N 403.446 1.005 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)Cc1ccccc1F 1638423691 QNYROOFQTRLAHN-CJNGLKHVSA-N 405.451 1.084 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1638678614 OCSOPNVJHPOFHQ-HXUWFJFHSA-N 420.872 1.460 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1640147191 PRTFPPNRCNCSMV-XOBRGWDASA-N 417.466 1.116 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)CCCN1C(=O)OC(C)(C)C 1641797823 QFHNZHGBBYXHKK-XMSQKQJNSA-N 405.539 1.837 30 10 HDEE COC(=O)[C@@]1(N2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)CCOC1 1642957435 AQLQRQJIQGNTFV-HSZRJFAPSA-N 423.517 1.938 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCNC(=O)[C@H]2Cc2ccccc2)c1 1643236699 FDDQXDIPJGVUPF-HXUWFJFHSA-N 404.470 1.749 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)C1=O 1647742797 KIUDWTSXIZIEPP-HZPDHXFCSA-N 407.854 1.491 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](Oc2cnccn2)CC1 1650895589 VZPHEIDHYWWLIQ-HDJSIYSDSA-N 415.475 1.022 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653213193 YYKFROSZLWBTKR-LBPRGKRZSA-N 402.567 1.148 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4ccc(C(F)(F)F)cc4)CC3)C2)c(=O)nc1O 1653760164 RTYIOWWMGMLQKS-UHFFFAOYSA-N 404.348 1.954 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655692970 XLMRTTUBCJAITG-QUCCMNQESA-N 415.513 1.429 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@]3(CCOC3=O)C2)CC1 1660693629 AZOZJJVKEWYNAZ-WIYYLYMNSA-N 400.454 1.174 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)c1cc(Br)ccc1C(=O)OC 1664193513 YRYGMWJEOMOCIH-UHFFFAOYSA-N 403.298 1.469 30 10 HDEE Cc1cc(Cl)c(C)c(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c1Cl 1664543878 CIKCPFVWTMMKND-UHFFFAOYSA-N 417.274 1.723 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 1664571494 RNTLQABWNYDCFD-UHFFFAOYSA-N 401.529 1.966 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccnn3CCc3ccccc3)CC2)c1 1666296804 BDMHOSYXFSNSNJ-UHFFFAOYSA-N 422.514 1.903 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1683130307 ISXVBQVMJNQGQU-CQSZACIVSA-N 406.487 1.298 30 10 HDEE N#C[C@H]1CN(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)CCN1C1CC1 1687062209 HAJUGWNGNONPCC-OALUTQOASA-N 403.914 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1689842139 VFJSSAGTSOJPMS-AWEZNQCLSA-N 421.523 1.312 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1689852868 LUNJQOWKCXWYGR-ZIAGYGMSSA-N 411.528 1.163 30 10 HDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689903901 CNHJFCYJBGYERT-GOSISDBHSA-N 415.469 1.751 30 10 HDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1689994100 RDEULVKZTODTHN-QGZVFWFLSA-N 402.520 1.936 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1cnnn1 1690001259 IEEIMMJMDXJDRJ-INIZCTEOSA-N 408.441 1.707 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1nc(C)no1 1690003542 QEWBPXMRIVTXQQ-OAQYLSRUSA-N 412.494 1.716 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)COCCO1 1690026932 RJIPCVSIAGEMRL-JOCHJYFZSA-N 410.474 1.744 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCC1 1690043826 PBIYKAYVHKZIDJ-UHFFFAOYSA-N 416.485 1.570 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1690073650 BNAGGVCFTQIICG-QGZVFWFLSA-N 409.494 1.831 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690268188 AJTNNSPNACXNRD-LJQANCHMSA-N 405.524 1.216 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690308589 SXTLJFFZMIZMOK-QGZVFWFLSA-N 417.514 1.986 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H](O)C2)CC1 1690397010 SKEHVGDCOBSJKH-BHYGNILZSA-N 411.572 1.842 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CCc1cnccn1 1690724374 NNNHDOOGONGUEB-KRWDZBQOSA-N 420.539 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2c(ccnc2O)C1 1690724735 VQTSFCYINIZDRP-HNNXBMFYSA-N 419.507 1.046 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1692869916 HMDSXNAYRBFEBS-IRXDYDNUSA-N 404.515 1.012 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H](C)C#N 1696496461 AXGUOCHHBFFQBT-AWEZNQCLSA-N 405.528 1.574 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1696975973 JOLMXMFMUXTPKL-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1697449279 DDMKASAHJGODRX-LSDHHAIUSA-N 412.450 1.023 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1697925780 BBEKYKRBAOOPHR-UEXGIBASSA-N 415.494 1.454 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1698491588 GYZJJXCCQIGNRT-DLBZAZTESA-N 407.540 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1705500226 JEJMXVDLGOIRKB-IRXDYDNUSA-N 402.520 1.792 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(C)(=O)=O 1705503133 PSQXKXRBDFOXHT-MRXNPFEDSA-N 405.524 1.481 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCOC 1705550037 RHLZYCPYUQWYMU-UHFFFAOYSA-N 410.478 1.407 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705559924 HBRSNLIDUFSUMJ-CYBMUJFWSA-N 404.483 1.484 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC[C@H]1OC 1705584679 UBHGEWUAGWIKFE-AZUAARDMSA-N 418.501 1.641 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1705626635 DHOQJZJLHPJERP-UHFFFAOYSA-N 417.473 1.155 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@@H]1C 1705630266 MFPGDIILTFTXKN-QFBILLFUSA-N 400.527 1.898 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705724908 YIPVHAKMNMULRL-HNNXBMFYSA-N 410.544 1.056 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705816905 WVEXINMQYXEMCZ-KRWDZBQOSA-N 419.555 1.649 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1705837006 NBNINCRGKSXALF-KUHUBIRLSA-N 406.508 1.511 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCO[C@@H](C)C1 1705896043 AHYGGPLGBGVKPT-HNNXBMFYSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2)C1 1705925784 UKEQYRQENISKSZ-BZUAXINKSA-N 412.581 1.715 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1706108457 CQKRTJVWZBKGJA-UHFFFAOYSA-N 404.496 1.155 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1706749782 CRZXNRXNRQDCIV-MRXNPFEDSA-N 409.494 1.796 30 10 HDEE Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1707864247 XKSHXKVRVJRLOF-DNTCVELPSA-N 424.461 1.389 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1708175972 PZRRCSCZQUWYRU-QFBILLFUSA-N 423.521 1.062 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1711131476 XEJWNQLMPUODDW-UHFFFAOYSA-N 406.487 1.550 30 10 HDEE CO[C@]1(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1711632738 IWCDUIUVNLZGSY-FFZOFVMBSA-N 407.515 1.863 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CCN1S(C)(=O)=O 1712846053 PEHUYTWOEHWPIM-RRQGHBQHSA-N 418.498 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1722297106 DOPJSYFCYJIYRF-ZDUSSCGKSA-N 423.564 1.031 30 10 HDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722340018 KEPZGSLAUKMPAT-KRWDZBQOSA-N 417.897 1.875 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1722369226 WIXFSYXHMGTCTC-BZSNNMDCSA-N 406.552 1.987 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](F)COC)CC1 1722436102 XBAXEYUJYAUMIY-KRWDZBQOSA-N 417.485 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1722510302 SSOOJNVMKFICTC-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1722627764 RTVJFVAUXMTSDN-UHFFFAOYSA-N 424.498 1.824 30 10 HDEE CCc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1727459127 AVXCBPAVPZWQKA-FZKQIMNGSA-N 403.487 1.933 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1740533614 HNUPNOHGBNJCGY-MSOLQXFVSA-N 402.543 1.329 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1740554050 VVUJYNQFACRNAY-PBHICJAKSA-N 421.523 1.327 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740628513 YLGKYQPUHPUAHW-ZWKOTPCHSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccco1 1740629568 RNXZNDNNJBJWQA-UHFFFAOYSA-N 417.429 1.021 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1740782961 ZMYCZKVOXFPFOA-CABCVRRESA-N 422.530 1.863 30 10 HDEE C=CCNC(=O)Cn1c(N2CC=C(COC)CC2)nnc1[C@@]1(OCC)CCOC1 1740964759 HUJKXXODGXWHOJ-HXUWFJFHSA-N 405.499 1.015 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2F)CC1 1740965318 HEALTHNKEWMEET-MRXNPFEDSA-N 415.473 1.293 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCc2ccco2)C1 1740977634 XHGKULXJXRDQGD-KRWDZBQOSA-N 410.478 1.974 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H]1C 1743245642 QGNICCCMYXERBG-HUUCEWRRSA-N 402.524 1.848 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1748242976 USKPJAIWVZVQIN-NRFANRHFSA-N 409.494 1.257 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1748635758 XHPRMWBYXBBBAX-MOPGFXCFSA-N 415.586 1.246 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1748812160 RCTABARXIQHJBN-INIZCTEOSA-N 412.475 1.312 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1748815278 OBXNFSURTQJENK-QKPAOTATSA-N 405.524 1.217 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748918667 MSSRZYZSGWXRGZ-QGZVFWFLSA-N 401.536 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1748929237 HDSGUHKQUXZKPS-KRWDZBQOSA-N 419.507 1.189 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)C(C)C)CC1 1749008889 IOYDFNMPRXBXCO-UHFFFAOYSA-N 411.554 1.969 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749039725 ZRJXTYFQOPOMRR-IXDOHACOSA-N 403.552 1.596 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1749324103 PQHYEEOMZSLZSO-INIZCTEOSA-N 424.571 1.100 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)C)CC1 1749329968 WVLGHHMCENXXFQ-CQSZACIVSA-N 412.560 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749730943 WOORPBQVXPUXKB-GOEBONIOSA-N 418.523 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749730945 WOORPBQVXPUXKB-ZBFHGGJFSA-N 418.523 1.121 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1760188295 JKJMGTUYJPDFQY-INIZCTEOSA-N 420.514 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1 1760202183 VLWRMLKDCIHRNF-AWEZNQCLSA-N 402.380 1.764 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1760218124 YBQJVKHAJVONED-SFHVURJKSA-N 408.481 1.946 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1760286284 GZPLWODEXDIODR-JXFKEZNVSA-N 421.567 1.259 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760336435 ZIMIHFALHZIKTB-IAGOWNOFSA-N 409.556 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCNC(=O)[C@@H]1CC 1760520423 MUAVUKGQFKFQDG-HNNXBMFYSA-N 402.886 1.616 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1762922969 HVVQWLVRCYINCP-MDZRGWNJSA-N 424.546 1.354 30 10 HDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763559304 OYAYFLYOFQWBOB-JCOPARMCSA-N 402.499 1.932 30 10 HDEE CCS(=O)(=O)NC1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1766710476 MDJAAKUEOPBEBD-UHFFFAOYSA-N 418.523 1.967 30 10 HDEE COC[C@H](F)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1770796297 WJZRYXIZPXNSHV-JKSUJKDBSA-N 416.505 1.838 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@H]2CCOC2)CCO1 1771537015 GJFFBNPEVARQJL-IEBWSBKVSA-N 412.494 1.436 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788591 XEBRNUPKIAQHPO-UHFFFAOYSA-N 402.428 1.989 30 10 HDEE CCc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1ccc(OC)c(Cl)c1 1850692086 FLFSOYYELQHRBI-UHFFFAOYSA-N 417.897 1.557 30 10 HDEE COc1ncc(Cl)cc1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851120383 OTMNGSQGJHQLJE-UHFFFAOYSA-N 411.853 1.886 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)NC1=O 1851227676 JYWUDQRMVRTAFR-GFCCVEGCSA-N 402.838 1.009 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)C(=O)C2 1851652867 QYCGQPZICNMFRC-HXUWFJFHSA-N 423.494 1.316 30 10 HDEE Cn1[nH]c(=NC(=O)c2ccc(C#N)c(F)c2)nc1N1CCN(c2ccc(F)cc2)CC1 1852114542 OTOBEJPCWSAMSI-UHFFFAOYSA-N 423.427 1.966 30 10 HDEE COc1ccccc1N1CCN(C(=O)CO[C@H]2CON(c3ccc(C#N)cn3)C2)CC1 1852630434 VFRHSGXYEIIVGP-GOSISDBHSA-N 423.473 1.447 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)CCc3c(C)nc4ccnn4c3C)C(=O)C2)C1 1853679694 PUVFWDMCHWTFSV-SFHVURJKSA-N 410.522 1.210 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2snnc2CCC)C1=O)[C@@H]1CCN(C)C1=O 1853682223 JUAGHUBQXIMETJ-LSDHHAIUSA-N 405.524 1.341 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CC(c4nc(C5CC5)no4)C3)C2=O)cc1 1853756851 XTIQLRXETXXUJW-GOSISDBHSA-N 405.458 1.978 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(Cc3ncon3)c3ccccc32)CC1=O 1854062099 AIKOQPIBJOGAHQ-GJZGRUSLSA-N 409.446 1.763 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1 1854401668 RVCSYTPSDGLRCA-KRWDZBQOSA-N 414.439 1.584 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)c4ccno4)C3=O)CC2)n1 1854439040 GVKARRKNEXWETC-KRWDZBQOSA-N 409.446 1.863 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854631688 BAKCCEGOGZIHGW-AUUYWEPGSA-N 409.467 1.646 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn([C@@H]3CCOC3)c2)CCN1Cc1ccc(C#N)cc1F 1855015631 WXXYKCQVCUSVMM-RDTXWAMCSA-N 411.437 1.728 30 10 HDEE C[C@@H]1CN(Cc2ccc(C#N)cc2)c2ccccc2N(C(=O)Cn2cnnn2)C1=O 1855427796 NKPSNCSISSWLRS-OAHLLOKOSA-N 401.430 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C(=O)CN(CCC#N)c3ccccc32)C1 1856123846 LTORCUORTJCWMA-QGZVFWFLSA-N 414.462 1.916 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1856263517 HTEBLGZXOHTWBD-GOSISDBHSA-N 406.486 1.959 30 10 HDEE CCOCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCCC2)C1=O 1856265444 VEOBIXBGNZJUSI-UHFFFAOYSA-N 419.503 1.657 30 10 HDEE Cc1nnc([C@H]2CCCN(C[C@@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)o1 1856867435 UDTAFBQLNSMUDD-RDJZCZTQSA-N 408.462 1.903 30 10 HDEE Cc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c(C)c1 1857039108 NUUNEYXVYGQEMK-IBGZPJMESA-N 417.531 1.786 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2=O)C1 1857104761 WQIMFSGCBDVZNM-CQSZACIVSA-N 402.361 1.049 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)COc3ccc(F)cc3)C2=O)C1 1857114191 ICMAZUYLVBIXGF-SFHVURJKSA-N 410.405 1.362 30 10 HDEE CN1CCC(=NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)NC1=O 1866023450 UNZOTPOFCSKVPM-KRWDZBQOSA-N 404.426 1.864 30 10 HDEE O=C[C@H](O)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866087330 AKMPOQXDORLIMC-OALUTQOASA-N 413.426 1.298 30 10 HDEE C=C(C)CN([C@@H](CC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872274396 FUINOIOYZZHXGF-IBGZPJMESA-N 408.568 1.993 30 10 HDEE CCCCCCCCN1C[C@H](C(=O)N2C[C@H](C)NC(=O)[C@@H]2CC(=O)OCC)CC1=O 1872999266 CWVMYQHKWAETQH-KSZLIROESA-N 423.554 1.864 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCO)CCO)n2CCCC 1873554365 MRHYBMVAZOPORX-UHFFFAOYSA-N 401.511 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1993238475 CJENYGVWBUJTNB-RRFJBIMHSA-N 424.498 1.328 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C[C@H]1O 2172855270 VMEMOBWQIYVTAQ-RBSFLKMASA-N 401.529 1.654 30 10 HDEE COCn1nccc1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2174000999 GXLFXIFNZVSGEC-UHFFFAOYSA-N 400.291 1.044 30 10 HDEE N#CCc1ccc(S(=O)(=O)N=c2[nH]ccnc2I)cc1 2178137596 MXEAPCBWDLGFJO-UHFFFAOYSA-N 400.201 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNS(=O)(=O)N1CC[C@@H](C#N)C1 2234595478 XRQRHPDEXWHLAN-STQMWFEESA-N 408.471 1.701 30 10 HDEE Cc1ccnc(C(=O)NCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243423653 CRBDZMAUNGKAMR-UHFFFAOYSA-N 405.304 1.944 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247822201 CMESGMZSZJQLKH-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE C[C@@H](C(N)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354578 BSFSIYDSEVZRSI-QMMMGPOBSA-N 408.738 1.195 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267376121 QZWMHVPUBSMDQE-ZYHUDNBSSA-N 407.388 1.438 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S(=O)(=O)Cc1csc(C#N)n1 2271174200 BYMOPWNDKUMHIG-LLVKDONJSA-N 403.482 1.686 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282016513 YUMADGRKNLCHEU-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC[C@](C)(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282304577 MIPGQUGXCLSYFG-HNNXBMFYSA-N 422.765 1.633 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCNC(N)=O)cc2Cl)OC1(C)C 2282311234 FXHMUBSPDMHCMB-UHFFFAOYSA-N 423.753 1.037 30 10 HDEE CC1(C)[C@H](N)C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330822 FUPXPPYVDSYJGV-WCQYABFASA-N 400.375 1.699 30 10 HDEE CO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282352573 ASHNSJGDXPJKFF-NWDGAFQWSA-N 403.331 1.130 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282490432 JSMMWHLZPDZXOJ-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE C=C(CS(=O)(=O)N=[S@@]1(=O)CC[C@@]2(CCCN2)C1)B1OC(C)(C)C(C)(C)O1 2282501972 DXEIOPDEXBMKTE-IVCQMTBJSA-N 404.363 1.498 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]2(C)CCCOC2)OC1(C)C 2282501993 FDJWQLHGTIZCLW-INIZCTEOSA-N 402.347 1.431 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282516952 NFMLUJXPMFNWBC-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282655586 PKWKFIUZAWHOMZ-NSHDSACASA-N 401.359 1.909 30 10 HDEE CN([C@@H]1CC[C@H]1N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282838341 MYFSNNKMRTXLDU-ZIAGYGMSSA-N 400.737 1.749 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H]2[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282842961 GBLBIAZRMJAYIF-MFKMUULPSA-N 401.359 1.808 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282843283 LBVONVYHQPSFJO-NEPJUHHUSA-N 418.415 1.337 30 10 HDEE C[C@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282859071 HOACATNIZCCPLE-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE CN([C@@H]1CCOC[C@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282863596 UICOPNWLHVGBRK-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE C[C@@H]([C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282879268 RCOBRXVOWWSNHJ-MNOVXSKESA-N 423.387 1.147 30 10 HDEE CC[C@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404576 AMTNLHRKRHSVES-NSHDSACASA-N 403.331 1.806 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)c2)OC1(C)C 2284405964 RSQYXODRHLYYMP-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H]2CC(N)=O)OC1(C)C 2285740450 ZDBHEFBEWUKYNO-NSHDSACASA-N 400.331 1.076 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)S(=O)(=O)C1CC2(C1)OCCO2 2295335039 DZFMEMZMHFXGAN-UHFFFAOYSA-N 423.340 1.653 30 10 HDEE C=CCN1C(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C(=O)NC1=S 2296193904 DLIDSTZNVVYSBJ-MRXNPFEDSA-N 412.471 1.155 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2318788572 NFSCLSRTYDCECL-UHFFFAOYSA-N 417.399 1.641 30 10 HDEE COC1(C#C[C@@H](N)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCCCC1 2363724911 IULIIWWHMSRJQK-HZPDHXFCSA-N 402.557 1.994 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365213436 UXALMVSYEDRGKK-KSMMKXTCSA-N 400.541 1.339 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240600 GZFMHISHRCNTAC-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2367792880 SDYNZMJRYHNGDG-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367816024 GTRGGRQCXGREOR-BEFAXECRSA-N 402.557 1.457 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCCc3ccccc3OC)cc2C1=O 19043767 KUVBYTXQRFDZSB-UHFFFAOYSA-N 422.437 1.993 30 10 HDEE O=C(/N=C(\NCCN1CCOCC1)Nc1ccc2c(c1)OCCO2)c1ccccc1 46135063 JRIYLFVIRIFDFZ-UHFFFAOYSA-N 410.474 1.988 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 409479090 OXJIHRRNTMRLEQ-ZDUSSCGKSA-N 402.842 1.114 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)c2ncc(Br)cn2)CC1 432998294 HINGUMWFNBAHAW-HIFRSBDPSA-N 409.332 1.582 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)ccc1OC(F)(F)F 443281093 ZGWDZJMOYVIGAX-ZDUSSCGKSA-N 411.258 1.921 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)CC1 460685045 AKKAZFGXPCCZCK-HXUWFJFHSA-N 409.465 1.814 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 467053715 LNNGCEKTYNZYKF-WNOSKKOXSA-N 405.476 1.025 30 10 HDEE C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 472945488 AIGIOBQOBXOKPA-FZMZJTMJSA-N 406.368 1.936 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 505674134 PWJHPGRJZHBJIW-JXFKEZNVSA-N 406.504 1.596 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508690219 VRUCDYDJQNLXIQ-CQSZACIVSA-N 404.492 1.773 30 10 HDEE CN(C[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1)S(C)(=O)=O 509170901 SWUXZWPFLUCNLU-GFCCVEGCSA-N 405.929 1.504 30 10 HDEE C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 522007410 HETXYWMPVZVBRP-IBGZPJMESA-N 400.523 1.260 30 10 HDEE CCc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)on1 525463525 NWBXBRBDHRKKPC-UHFFFAOYSA-N 403.464 1.325 30 10 HDEE CN1CCN(C(=O)CC2CCN(CC(=O)N(CCC#N)c3ccccc3)CC2)CC1 532702263 QAQMGOSZJFHLQY-UHFFFAOYSA-N 411.550 1.809 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCc3nnc4n3CCCCC4)CC2)n1 544881962 GYGNYBATVRGQKS-UHFFFAOYSA-N 408.510 1.736 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)n1 546217817 PWKWESHIRNXGER-UHFFFAOYSA-N 404.427 1.094 30 10 HDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 555267147 OVPCWUJZZUEFTF-OAHLLOKOSA-N 407.482 1.757 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 559011784 ZDBIWKDFCHPDNK-INIZCTEOSA-N 409.512 1.725 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCCc2cccc(C#N)c2)c1OC 577448231 IMGXVBRUOOIKJC-UHFFFAOYSA-N 404.444 1.883 30 10 HDEE C=CCN1CCN(C(=O)CCc2ccc3c(c2)CN(S(C)(=O)=O)CCO3)CC1 581799832 BZSNQCLTAXXDCY-UHFFFAOYSA-N 407.536 1.103 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCOCC)nc1C 586305618 YAPBBWOAXHKFNR-HHHXNRCGSA-N 418.493 1.061 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 603875438 YPCXXNDQXYINCI-UHFFFAOYSA-N 423.521 1.718 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608958513 QNOPWGBTZKBBJP-GOSISDBHSA-N 422.489 1.922 30 10 HDEE N#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 609456590 DULOIZSCWCFGKQ-RCCFBDPRSA-N 403.504 1.284 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 674469174 CJBGVFFYKVLMNV-SJORKVTESA-N 403.479 1.132 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 727416147 HLCYQPIEYIQGRA-UHFFFAOYSA-N 407.495 1.826 30 10 HDEE C[C@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)c1cc(F)ccc1F 730293691 OFQSDOUFDBXFAV-NSHDSACASA-N 408.382 1.929 30 10 HDEE CN(CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)c1ccc(Br)s1 732649104 AKEHTMOEVZNLPS-GFCCVEGCSA-N 411.325 1.781 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCN1C1CC1 732650873 KFUORJMOVLXLTP-WFASDCNBSA-N 401.398 1.286 30 10 HDEE C=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 734024815 PYXWGHUSRZBZIG-UHFFFAOYSA-N 417.867 1.637 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1cc2ccccc2n1CC#N 735773876 CNRWLVFUGKYWEO-OAHLLOKOSA-N 404.448 1.167 30 10 HDEE CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 742245795 OAIODZBWTWFEQS-UZYVYHOESA-N 407.540 1.075 30 10 HDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 745911765 MWWPYFYSRJCGQP-GOSISDBHSA-N 400.479 1.553 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)CNc2ccc(C#N)cc2)c1 750019249 WZUNKQUOIQOJFF-UHFFFAOYSA-N 405.407 1.695 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnc([C@@H]3CCCO3)s2)c(=O)n1C[C@H]1CCCO1 755624241 IANGFGNDTYNCAK-HIFRSBDPSA-N 414.512 1.423 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758645612 RSPMXPKHDJLUQZ-DZGCQCFKSA-N 409.464 1.511 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCCC4)CC2)n1 760910360 GGPYIEKQWLMIAY-UHFFFAOYSA-N 424.530 1.753 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 763783203 QIEYSMMAYIUFCP-FUHWJXTLSA-N 418.471 1.156 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CCN1C1CC1 765912225 RJONQRBKJYUHDW-HXUWFJFHSA-N 416.957 1.844 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 770109532 GPWIVOWBZBZPPT-UARSRXHTSA-N 415.556 1.813 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccc(C#N)cc2)[C@@H](C)O)cc1C 777303043 APWPLXGPIGSVTG-BEFAXECRSA-N 402.472 1.946 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 779569434 CTXVMDCFRULMFV-ZCXUNETKSA-N 420.416 1.484 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)n1 790104300 NGIQCYTUTNEHQO-VOTSOKGWSA-N 406.446 1.563 30 10 HDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802428589 XGJBAKUDLQKOKK-IBGZPJMESA-N 413.478 1.932 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1 803698388 OMWMLDDQBSCLMU-UHFFFAOYSA-N 404.488 1.862 30 10 HDEE C[C@@H](OCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nccn1C 805691199 ZGSMMLYNDSCSIA-CQSZACIVSA-N 408.418 1.737 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)n1 808358010 VMWYLSVALURZLD-DFQSSKMNSA-N 401.511 1.321 30 10 HDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C)[C@H]1CCS(=O)(=O)C1 809874869 AOXVWFVUSMNRDU-CVEARBPZSA-N 418.519 1.981 30 10 HDEE COCCNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914552002 RFGVSHZRDXEKQP-HNNXBMFYSA-N 422.482 1.189 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1134996721 QOXJSSDAWPUVBE-CJNGLKHVSA-N 402.394 1.905 30 10 HDEE O=C(CCCS(=O)(=O)c1cccc(Br)c1)N[C@H]1CCCN(O)C1=O 1141463821 UKIYNOUDOWDWDM-ZDUSSCGKSA-N 419.297 1.499 30 10 HDEE C[C@H](CC(=O)NCc1noc(C(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 1156121720 CWSSRSLMYQERHC-MRVPVSSYSA-N 417.369 1.222 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CCC(=O)OC)CCCCC2)cc1 1156721046 BTPAVPCQEZBANM-UHFFFAOYSA-N 406.504 1.984 30 10 HDEE C[C@H](SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc2ccccc2[nH]1 1157884878 MLVWUWDOPNRFGO-ZJNRKIDTSA-N 404.517 1.754 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1158280996 OBIDYBOTLPTNPD-QRWLVFNGSA-N 405.426 1.607 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1168716028 BGHQSKJWMHELSS-UHFFFAOYSA-N 418.544 1.759 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1 1227633755 ZZZYKCMRYHHEGZ-ROUUACIJSA-N 411.462 1.189 30 10 HDEE N#CCNC(=O)CNC(=O)NCc1cc(Cl)ccc1I 1227971999 AHWLDZINJBGNHJ-UHFFFAOYSA-N 406.611 1.384 30 10 HDEE C#CCN(C(=O)NCCNC(=O)c1cc[nH]n1)C1CCN(C(=O)OC(C)(C)C)CC1 1230800104 SCJGZOSBGORYFM-UHFFFAOYSA-N 418.498 1.184 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 1253347262 BGHFYOYPWSVVMH-SFHVURJKSA-N 409.483 1.270 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(-c2ccccn2)n1 1254723021 DSNZFFAFEXRYRQ-HNNXBMFYSA-N 415.461 1.621 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286292371 HYNGPXDTWJLMHF-QAPCUYQASA-N 417.535 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN(CC)S(C)(=O)=O 1286303418 QXFVQGJUGQKTNC-MRXNPFEDSA-N 421.571 1.269 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccc(O)c2)CC1 1286485629 RXYIXYJMLLGWRX-ICSRJNTNSA-N 411.506 1.511 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccccc1 1286618675 GNCRVIRBRPRFJI-KRWDZBQOSA-N 408.506 1.781 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 1286660193 HHFCBIKJRRKKDA-MRXNPFEDSA-N 407.540 1.456 30 10 HDEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1286714781 WJAPIPAUVDUWDA-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 1292890447 ZJBGOLAGTFTWFT-ZWKOTPCHSA-N 420.554 1.354 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@H]3CCN4CCO[C@H]3C4)ccc2c1=O 1298371928 JHJDMLQLRGWJPZ-IRXDYDNUSA-N 400.504 1.416 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](Nc2ncccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1299885863 JQGXQAXPGNUQLL-ZIAGYGMSSA-N 414.491 1.007 30 10 HDEE C#CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1300408025 GXTUWLHQROHRKI-MRXNPFEDSA-N 416.526 1.742 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1300423750 VHFOKEKHIHBBBQ-QGZVFWFLSA-N 415.469 1.751 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1300440380 WIRAFMMWEYMSIH-UHFFFAOYSA-N 423.477 1.626 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 1300483820 NXJRXMNBEKTEPK-INIZCTEOSA-N 408.911 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCc1cnn(C)n1 1300590958 IWZSTIXAZWVPLA-UHFFFAOYSA-N 405.510 1.364 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ncccc1N(C)C 1300673799 ZQZQJBAVYGKGJH-UHFFFAOYSA-N 405.506 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N2CCCCC2=O)CC1 1301491801 ZIJHWCAWXPPZOD-UHFFFAOYSA-N 423.521 1.624 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1302174261 OACGQTCYODUEJG-GOSISDBHSA-N 412.494 1.583 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)OCC 1302417817 BXKKVDVDKMWXDH-AWEZNQCLSA-N 417.849 1.814 30 10 HDEE CC(C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302699806 HYIGICIKBQRWSX-IGGDJGDASA-N 413.526 1.602 30 10 HDEE CC(C)(CNS(N)(=O)=O)NC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1303235655 SYRJSEOFIKFCKZ-UHFFFAOYSA-N 406.439 1.791 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1303635246 CJXGBWWJFWWKQW-HOCLYGCPSA-N 405.466 1.597 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(F)c1 1303835869 FUDFCJZYJRDQCG-PXAZEXFGSA-N 410.450 1.518 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1304455934 OWAQPAYJISUVEV-ORYQWCPZSA-N 409.527 1.947 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1305239338 UUSLKBKOZOFMQJ-CHWSQXEVSA-N 407.521 1.635 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4nnccc4C#N)C3)[C@@H]2C1 1307193879 KOJMDILAJPPZOO-KFWWJZLASA-N 400.439 1.367 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1307757516 RBKNIFZSOZQXQH-ZDUSSCGKSA-N 414.553 1.943 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1314949795 COACEHASVBCGGB-HNNXBMFYSA-N 421.509 1.396 30 10 HDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCn2ccnn2)CCO1 1316539632 FICCFCYZYHQFIV-IBGZPJMESA-N 406.494 1.864 30 10 HDEE CC(C)n1c(S)nnc1C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1322075379 CXUGCTVFNFUCCV-VLGSPTGOSA-N 418.523 1.770 30 10 HDEE C[C@]1(c2cccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2)NC(=O)NC1=O 1324392653 PUYPCYTYPURORV-GOSISDBHSA-N 417.347 1.957 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)cc(OC)c1OC 1358415259 QVQCNZUHNONKPP-TUAOUCFPSA-N 415.368 1.708 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1358896325 BCMPYIHKEKLMIV-MRXNPFEDSA-N 409.490 1.872 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1359133148 MISHPEZJOLZBTQ-SJORKVTESA-N 412.556 1.634 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1359182916 XSZSLUJBIOOADF-UHFFFAOYSA-N 418.542 1.587 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCS(C)(=O)=O 1359255563 CTIMOVGPJHMPBW-UHFFFAOYSA-N 423.502 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C)C1 1359293917 DKPAZOVTOJFIBS-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@H](C)CC(N)=O 1359296936 ZLTMRPKQIBDOPA-CQSZACIVSA-N 407.478 1.496 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1359304988 PTPIBVFRTPVPOT-BGYRXZFFSA-N 424.549 1.685 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)CC1 1359386550 HEBDXNQCQLJQEG-UHFFFAOYSA-N 404.478 1.772 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1360477766 ASZSWBLHIDZPKN-JLTOFOAXSA-N 404.465 1.952 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(-c3cccnc3)nn2)c1 1434893019 AYTYEVWLCOCJCF-UHFFFAOYSA-N 416.441 1.149 30 10 HDEE CCC(C#N)(CC)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1439196152 HQWAOCCYSGZBNX-CQSZACIVSA-N 401.529 1.857 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)c1 1451481697 JHFROJHRUSTJNA-AWEZNQCLSA-N 419.434 1.973 30 10 HDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1455604042 GXYYQRXDNIPJEC-CVTQAYBASA-N 411.414 1.550 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1456222165 QJZLYJIUVMOJJY-LSOMNZGLSA-N 409.508 1.030 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC(n2nncc2I)CC1 1460418102 LOWIHJRRFJLTJW-UHFFFAOYSA-N 416.267 1.282 30 10 HDEE Cc1c(C#N)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1C 1461173311 LVNFPFXJRZCNOL-UHFFFAOYSA-N 417.491 1.192 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C(=O)OC 1463401775 VVWBPRFHLVXVKJ-IRXDYDNUSA-N 409.398 1.780 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2 1464033688 ZEWZVCFLRCSWQU-UHFFFAOYSA-N 406.504 1.951 30 10 HDEE CC(C)NC1(CO)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1464077835 AVVGOOZEWGDHLI-UHFFFAOYSA-N 416.341 1.834 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1468127437 BYIVAFRMMHQSJH-RCCFBDPRSA-N 403.504 1.801 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(F)n3)CC2)c1 1468274872 NDEWYGZKHSXFKK-UHFFFAOYSA-N 401.463 1.980 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)c1 1471888253 GZPMMXZLYPKNEA-GOSISDBHSA-N 420.462 1.804 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)ccc3Br)C2)c(=O)nc1O 1472370093 CIKQLNLCFOVNHY-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE CCOC(=O)C1=C(CN(C)C[C@@H](O)c2cccc(C#N)c2)NC(=O)N[C@@H]1c1ccco1 1473620601 MWOZTXIGMMJJQA-YLJYHZDGSA-N 424.457 1.988 30 10 HDEE Cc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1473823498 IUNZJTXPBFVYOD-LRDDRELGSA-N 412.309 1.566 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H]3CCCO3)C2=O)cc1 1478568730 QTFYUGXPYWKKJV-AABGKKOBSA-N 412.490 1.639 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)nn1 1478855843 YYGBTBKDDJTVQG-UHFFFAOYSA-N 415.498 1.905 30 10 HDEE CCCCOCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1500646814 WJLWFXCPGYCTLJ-YLJYHZDGSA-N 407.515 1.864 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507607714 CBBHIDRNIJHSPT-FQEVSTJZSA-N 403.490 1.878 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCOCCS(C)(=O)=O 1507646155 APAAGCJWWMWCMY-UHFFFAOYSA-N 420.922 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(CC(C)C)CCO1 1507651204 GXTPHEHQUDFHTE-NRFANRHFSA-N 406.534 1.694 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H]2COCCO2)CC1 1507721635 RMBJILFJLMQXKQ-SFHVURJKSA-N 401.898 1.769 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1507820749 MAOBYJDOILZMBM-INIZCTEOSA-N 409.512 1.655 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC[C@H]2C)CC1 1507909219 WRZVOGXKFHIZED-QGZVFWFLSA-N 402.543 1.524 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1507978790 STVANYARNYSNQP-UHFFFAOYSA-N 407.478 1.340 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCc2nccn2C1 1508041475 DFHSJXCHTBDIFK-KRWDZBQOSA-N 413.526 1.498 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1508356306 BXYHSFOOGNEDDU-GOSISDBHSA-N 423.521 1.694 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1512201508 GMHIIDRPNSQYHU-LZICOFPGSA-N 424.509 1.831 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cc(C)c(C#N)cn4)CC3)C2=O)n(C)n1 1515294449 ZQQRXFQBGQRPCP-IBGZPJMESA-N 421.505 1.257 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](N4CCOC4=O)C3)CC2=O)cc1Cl 1531180844 HEQOVLMUJYOBFA-HIFRSBDPSA-N 402.838 1.618 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1534772673 RLHCPELPNNUSRD-GJZGRUSLSA-N 401.529 1.905 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)CC2)c1 1537813477 GJLKRLGKAZBKDJ-SJORKVTESA-N 408.424 1.953 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539226073 UFJDGIGNWZKHMG-GOSISDBHSA-N 414.531 1.914 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1539917885 YAZBMGUGWBSBID-HNNXBMFYSA-N 409.556 1.484 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1540859690 ARFVIDSVILMEDW-LJQANCHMSA-N 410.522 1.442 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](COC)C1 1540867481 XOHNXPCMYKVNCA-KRWDZBQOSA-N 422.489 1.647 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(c2ccccc2C#N)CC1 1540875063 AMRABSLCZVSMQB-UHFFFAOYSA-N 423.521 1.705 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCC1 1540897120 BFDLCPDKUXPYGK-UHFFFAOYSA-N 418.523 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C)o1 1540901952 VZDGEZXDLXSVIS-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc2nc(O)n(CCN(C)C)c2c1 1544779947 PNCNQIXNDIQXLU-UHFFFAOYSA-N 405.458 1.919 30 10 HDEE CO[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1554667733 DJTXJLJGFZTWGP-CABCVRRESA-N 416.507 1.423 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)cn1 1556465289 AHSUBNSVTWIFSJ-MRXNPFEDSA-N 400.504 1.867 30 10 HDEE N#CC1(C[C@@H](O)CN2CCn3ncc(I)c3C2)CCOCC1 1560169095 YWXAMVHVOSUEFP-GFCCVEGCSA-N 416.263 1.375 30 10 HDEE Cn1cc(CNC(=O)NCCS(=O)(=O)N2CCCC2)c(-c2ccc(C#N)cc2)n1 1564544174 CCCCTAWPHWLCOW-UHFFFAOYSA-N 416.507 1.184 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CN2CCN(CC)CC2)c1 1565609459 PPVTYOCKRUIEFK-SFHVURJKSA-N 405.564 1.487 30 10 HDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ncc(C(=O)OC)s1 1566081039 BJMSKEORUJGWTM-LLVKDONJSA-N 422.488 1.521 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)c1 1566729926 XZKPPAUQLLLLHO-UHFFFAOYSA-N 406.548 1.914 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1567388094 OJJCMEAJBYYZLN-HUUCEWRRSA-N 409.483 1.612 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1568909030 RGTXNTHVMVPFSQ-CQSZACIVSA-N 407.341 1.990 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)o1 1569041120 AQNLRAAQMVHIMI-HNNXBMFYSA-N 418.475 1.518 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1=O 1583137588 MCELPNJASVKEJZ-AWEZNQCLSA-N 424.461 1.658 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1 1583155037 QNVSGQFYXQZSMX-UHFFFAOYSA-N 402.476 1.926 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 1583777240 HPRURDLXXZEXSN-IBGZPJMESA-N 408.506 1.582 30 10 HDEE Cn1ncc(C2CCC2)c1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1584189527 FHRAMFGJWCRONU-UHFFFAOYSA-N 401.492 1.433 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCN(Cc2ccccc2)C1 1584284138 DTLHFCPMYCCYEN-IBGZPJMESA-N 409.490 1.724 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1584315344 QSDIUNRXIDQGRD-HOCLYGCPSA-N 414.911 1.682 30 10 HDEE C#CCN1CCN(C(=O)[C@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CC1 1586733471 UBVJNLNRNZGCEI-IBGZPJMESA-N 401.507 1.908 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587766141 PEUMMVDDZSPBGO-MRXNPFEDSA-N 409.556 1.494 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(-n2cncn2)nc1 1587931993 IOQYPWFLFIEMIL-UHFFFAOYSA-N 415.417 1.947 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@@H]1C 1588093344 KGSPEJHGQGCZBP-HXOBKFHXSA-N 416.485 1.948 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588733473 UQPVNTKPIXFFSS-RTBURBONSA-N 414.554 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@](C)(O)CC)CC1 1588762403 HYPHXBBUZLVBSU-SFHVURJKSA-N 421.343 1.952 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCCOC2)n1Cc1nnn(C)n1 1595156192 HYMDBMINGAVZAH-CQSZACIVSA-N 400.512 1.998 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 1595454881 QSZBNEMYQFIASU-MRXNPFEDSA-N 409.508 1.518 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1595551358 PCFDJZFDHKMFNA-GOSISDBHSA-N 417.602 1.385 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1595562333 VMLQUXJDFUIBGF-CXAGYDPISA-N 416.551 1.940 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1ccon1 1595593508 FKQLDOLSBCFGBP-UHFFFAOYSA-N 400.414 1.923 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1595884940 XFCNQWIBCOSTRE-CQSZACIVSA-N 401.558 1.130 30 10 HDEE CC(C)[C@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1602997236 NCMLOZILKDBOFT-IGGDJGDASA-N 424.509 1.830 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1610026818 ARDLWUGRGPHJSO-UHFFFAOYSA-N 404.478 1.810 30 10 HDEE Cc1c(C#N)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nn1C 1611161494 BCBJCQZASTWPSZ-ZDUSSCGKSA-N 405.455 1.779 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1615195033 KXHLOCOGCAHOCU-LJQANCHMSA-N 407.470 1.863 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1617275782 RVLSGTSIHRBJSO-ZDUSSCGKSA-N 415.479 1.507 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1618030215 YTXPIEUTCXRNGT-KRWDZBQOSA-N 403.910 1.735 30 10 HDEE CO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620141096 QXFWRBQJMQKOLJ-JVMRMLDLSA-N 423.477 1.015 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(N)=O)c1 1620358708 BXQYTTFWGSQQRZ-KRWDZBQOSA-N 407.478 1.506 30 10 HDEE COc1cc(C#N)ccc1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1623483784 CHBBPBDLVYMARE-UHFFFAOYSA-N 422.438 1.896 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1623494134 BCVKUJXSJSOSCA-MRXNPFEDSA-N 422.507 1.866 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CCOc1cccc(Cl)c1)c1cc[nH]n1 1624631847 GIAYBKXGROZMAC-UHFFFAOYSA-N 408.842 1.884 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)Cc2ccncc2)C1 1625499419 BERJVSHNXYECNQ-KRWDZBQOSA-N 415.291 1.872 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CCC[C@H]3CC)CC1 1627969304 ZIXVNXOKHUXIHD-CYBMUJFWSA-N 411.553 1.590 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)Nc3cccnc3)C2)C1 1631887075 WLPKREOXNGNULX-FAGJFJLWSA-N 413.478 1.923 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC2=O)cn1 1632533318 UHMZOBPXKAXIGQ-IIAWOOMASA-N 416.482 1.038 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(N3CCN4CCC[C@H]4C3)cc2)c(=O)nc1O 1636756134 NLIDTHVYSCEDOJ-SFHVURJKSA-N 408.462 1.134 30 10 HDEE C=C(C)CONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1639694871 OULFUGMOTORATA-UHFFFAOYSA-N 410.492 1.888 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1640416694 HGBCRCGBBGLAAC-YYFZDKIDSA-N 419.503 1.417 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ncc(Cl)cc2Cl)c1=O 1641326247 YXXABKXPJGMMTG-UHFFFAOYSA-N 411.245 1.973 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](n2nncc2I)C1 1643457853 BIPSDFCQGWBLFY-GFCCVEGCSA-N 403.268 1.554 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 1643888064 HKQYPSLKLITSFY-QGZVFWFLSA-N 415.519 1.498 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3ncccn3)C2)s1 1644868025 HPTNAUWRWPHUIU-AWEZNQCLSA-N 406.533 1.951 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2ccn(C)n2)CC1 1644936009 GSRJEWGOEUDJIR-AWEZNQCLSA-N 401.492 1.365 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)C1 1645010337 VPLHTDMEYHRUHX-VXGBXAGGSA-N 407.418 1.388 30 10 HDEE C#CCN(CC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1[C@@H]1CCCO1)C(=O)OC(C)(C)C 1645150930 HDUQAHRWNKQZOJ-BBWFWOEESA-N 408.495 1.816 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)CCOCC2)c1 1645666052 GXLPSZQPLXEZJY-OALUTQOASA-N 406.442 1.651 30 10 HDEE CCCN1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1646484751 GGYHQYHINYUFAR-GOSISDBHSA-N 404.536 1.559 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 1649123932 ZWCNPGDNQKJSGK-OAQYLSRUSA-N 408.495 1.818 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](C)N[C@@H](CCc2ccccc2)C(=O)OCC)CC1 1650952047 ZOZWFFSFZGQQOE-ICSRJNTNSA-N 400.519 1.906 30 10 HDEE C=CCC1(NS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CCOCC1 1664330438 QRKPVLFLNQDGFM-UHFFFAOYSA-N 422.503 1.344 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1675013956 FJRCINNRXDCFRZ-MMSRSVNZSA-N 423.466 1.171 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cc(C(F)(F)F)n(C)n3)CC2)c1C#N 1684656195 RYXWAVYDGLKKDQ-UHFFFAOYSA-N 410.404 1.384 30 10 HDEE C#CCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1684770265 DQDDSDXGYQZYAK-UHFFFAOYSA-N 406.552 1.235 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1685093674 CYDNADQRJBJKKS-ZXFUBFMLSA-N 403.508 1.141 30 10 HDEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689875409 RATAFMVNJFYIFO-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1689955408 GACKIKZHFJQVGO-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689986507 RGISCWWTVSJCEQ-BRWVUGGUSA-N 417.535 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCc2nccn2C1 1690030570 YVZZQWDOBPTEEI-SFHVURJKSA-N 405.506 1.436 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1690082956 VFCBDOSMYFHHBP-UHFFFAOYSA-N 422.489 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N(C)C)CCSC1 1690099631 FXPBEKJCLZRVBX-IBGZPJMESA-N 403.556 1.202 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)CN2CCCC2)CC1 1690120482 WJSWPDGLHFXMDM-UHFFFAOYSA-N 408.554 1.612 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1690456212 ZNSGCEZLPDAEET-MRXNPFEDSA-N 421.509 1.944 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2sccc2C1 1690661352 ZWJFKFLOQONESN-AWEZNQCLSA-N 405.524 1.929 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690667815 JCJBEGZOYQAXER-QFIPXVFZSA-N 424.480 1.823 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1691003404 GSJAQULXDUHIEZ-QWQRMKEZSA-N 423.564 1.745 30 10 HDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)s1 1693446441 HYNSOKINAUCYIW-ZDUSSCGKSA-N 422.518 1.886 30 10 HDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)C1 1696203830 GDSTUNJEDPQVQD-BQTBQCLESA-N 413.482 1.594 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1698302584 NTQZHIYQTHTKKQ-SFHVURJKSA-N 406.487 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1705477689 REFGDCDTYBTKCH-IRXDYDNUSA-N 418.567 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1Cc1ncnn1C(C)(C)C 1705589609 TZKXLTLSTNSPQP-QGZVFWFLSA-N 413.526 1.860 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705630881 KBWZPLOTUQPVCM-WAOWUJCRSA-N 404.511 1.944 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705653313 FAFAIXVMRPADIF-CABCVRRESA-N 409.512 1.009 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705706259 RKICDFBVYCWOEF-WMZOPIPTSA-N 409.556 1.293 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1705734961 FVHMGHTZSSCRMI-INIZCTEOSA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705906387 CIDHCAJGJNXEBU-HDICACEKSA-N 413.478 1.338 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(OC)C2CC2)C1 1705928461 FIBHMCROOYKNRE-UTKZUKDTSA-N 403.527 1.997 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1705944044 STDWGUNRMYSPEC-CQSZACIVSA-N 408.528 1.427 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1709784250 AZPIACMHQPTCOE-IKGGRYGDSA-N 401.515 1.222 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)CC1 1712883270 WGWGRKVOICZYJP-SNVBAGLBSA-N 403.231 1.957 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1719917730 KAHJLOHOEJMSBN-DZVNLGKHSA-N 401.507 1.241 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367945 NRBXGTJCDCJOTJ-IAGOWNOFSA-N 417.535 1.678 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCOC)CC1 1722565039 LHWARDHGGOTEJG-KRWDZBQOSA-N 412.494 1.854 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCS(C)(=O)=O 1727592766 CJTCZVQJRDVHCW-UHFFFAOYSA-N 416.551 1.864 30 10 HDEE COc1ccc2c(c1)nc(Cn1c([C@H]3CCC(=O)N3)nnc1N(C)[C@@H](C)CC#N)n2C 1730207541 AASOKNHXFSJWIW-DZGCQCFKSA-N 422.493 1.911 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1730876679 PAOJFCQPJGIBOU-RDBSUJKOSA-N 401.414 1.155 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1740579825 UPKZHKZCTWCMLK-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1740648691 JXMYHZVPKMOVKF-HZPDHXFCSA-N 423.608 1.883 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(C)COCCO2)CC1 1740704886 VQJWXTRCXADWHG-OAQYLSRUSA-N 412.494 1.045 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1740794935 KTKXXOJLPHSVJB-SFHVURJKSA-N 405.543 1.676 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1740932510 PUUTXTGXJSQTFP-INIZCTEOSA-N 403.508 1.811 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](OC)C(C)(C)C1 1740951026 AOTCSUCESVBJBT-CQSZACIVSA-N 413.482 1.089 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741022656 HAWRNVHCTJMTEA-SFHVURJKSA-N 409.494 1.636 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1CCOCC1 1747994979 CKUSTOXSKVCLTP-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1748731522 FVFAYKDDPWLXNI-KRWDZBQOSA-N 422.599 1.756 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1749420410 DPLFOJMAKDSPFW-UHFFFAOYSA-N 419.507 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749734070 DTSBEPLPERSHGV-UHFFFAOYSA-N 423.499 1.388 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N(C)C)CCSC1 1749828402 AXWJIUDFIHKUKW-IBGZPJMESA-N 418.571 1.482 30 10 HDEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1752103648 HSIPCZPIQTXFEM-MGPUTAFESA-N 417.535 1.849 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(Cn2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1760181140 QBPUSIJPZZJDMY-FQEVSTJZSA-N 424.530 1.506 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC1CC1 1760196323 RTPHAJXSVRPCKZ-UHFFFAOYSA-N 413.485 1.934 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1760228103 VMQMQGMXVMCQAC-NRFANRHFSA-N 403.527 1.824 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cnnn1C 1760252345 DSOKUBVKCPDWFC-IAGOWNOFSA-N 401.515 1.460 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCOCC1 1760340764 NPHIRYFAXCNDPJ-GOSISDBHSA-N 404.559 1.771 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760358689 XDWHKLOROVYLQQ-UHFFFAOYSA-N 420.558 1.243 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCC(=O)NC 1760482372 HMOKLSCRCQFKCA-UHFFFAOYSA-N 402.474 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760518885 KYQTUGYCWSPIKH-MJGOQNOKSA-N 422.533 1.772 30 10 HDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CC(=O)N1CCOCC1 1762581536 FDDIJSKXBKKLTK-HXUWFJFHSA-N 408.506 1.776 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1767843364 GHFDSFILGUQARH-RHSMWYFYSA-N 418.523 1.227 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769699285 DTFSKNAOILHQSO-ZWSWSHGQSA-N 402.499 1.933 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1770106362 HOBVQBHBQCZVBQ-GOSISDBHSA-N 412.494 1.537 30 10 HDEE CO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770286069 CBFWYKMDLHGHPX-QBNCKDSPSA-N 423.477 1.015 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1771125757 COCWKEGTUQXLDV-WMZOPIPTSA-N 410.478 1.169 30 10 HDEE COc1ccccc1CN1C[C@@H](C(=O)N=c2[nH]cc(C#N)c3cccnc23)CC1=O 1850693446 OVQMARLCSGHDRK-HNNXBMFYSA-N 401.426 1.919 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)COc2ccc(F)cc2)CO1 1854012823 NJKDVXDAQMHFNF-INIZCTEOSA-N 406.391 1.624 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2snnc2CC)C1=O 1854101354 VEBWHJFXXCWIGY-CABCVRRESA-N 405.524 1.341 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 1854642697 VJRHZCWVZMELHQ-HOTGVXAUSA-N 404.536 1.547 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC[C@@H](Cn4nccn4)C3)CCC2=O)ccn1 1854732253 SBXJTEIBBTVDJH-IAGOWNOFSA-N 407.478 1.336 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1854741448 GWABZAJHHVHBPY-MRXNPFEDSA-N 407.536 1.824 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3)C2)CC1=O 1855104432 OJOGQPQPLWMOFI-GOSISDBHSA-N 423.510 1.367 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1 1855553155 VEOYBKVGJIKUCT-HNNXBMFYSA-N 411.549 1.396 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C12CCCC2 1856290833 GNXLJWRWSUVIFE-UHFFFAOYSA-N 405.520 1.720 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CC(Oc4ccccc4)C3)C2=O)CC1=O 1857251997 VMKZBBRHKDZLJU-PXNSSMCTSA-N 411.502 1.692 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@@H]1c1ccc(O)c(O)c1 1862741505 UHUNKRLBKVQBLD-BTDLBPIBSA-N 414.370 1.965 30 10 HDEE C[C@H]1CN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)O1 1868782916 MSUGAOSCMNCLFS-HLLBOEOZSA-N 404.536 1.777 30 10 HDEE Cc1cc(Br)ccc1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1 1890823503 DVDNSXLMFVXUOG-UHFFFAOYSA-N 422.308 1.929 30 10 HDEE CN(CC1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)CC1)c1ncccc1C#N 1891382846 MKFHDWPYDIUGQO-QGZVFWFLSA-N 424.530 1.607 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cccnc2C#N)CC1(F)F 1965777928 SHQSGJMFEHOSOR-ZDUSSCGKSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@H]1C(=O)NCB1OC(C)(C)C(C)(C)O1 1985101470 SVBOEQFPEHRZSM-LBPRGKRZSA-N 407.280 1.145 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985859931 XZXRJDDAEZAAKI-KRWDZBQOSA-N 406.332 1.961 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)C1 2054406116 RRAVLWBTTLOOAS-BDXSIMOUSA-N 404.492 1.466 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]cc1C#N 2066529945 TYURZXNCWVLIEQ-GOSISDBHSA-N 402.407 1.141 30 10 HDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N 2106664149 IIPFPDUUNULJPK-VWLOTQADSA-N 402.498 1.452 30 10 HDEE C[C@@H](NS(=O)(=O)N1CCOCC1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177632675 WTPAAZPMZCRFHV-GFCCVEGCSA-N 402.347 1.275 30 10 HDEE CC1(C)OB(c2cscc2CN2CCCN(S(C)(=O)=O)CC2)OC1(C)C 2235515827 ILKFAYBRKUWYJY-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243675368 VTXYYEACPUYDPH-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE Cn1nc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247919891 UIFYCUJXJSEABY-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CN1CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2247937500 MSIUWAONHJRTDE-XQQFMLRXSA-N 419.253 1.290 30 10 HDEE C#C[C@H](C1CC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258174441 ZRRDOHFGRDJMJE-IAGOWNOFSA-N 408.476 1.128 30 10 HDEE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267468953 ZCTITRVNQSKJAB-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@H](N)C3)cc2Cl)OC1(C)C 2267710514 WWDVMSNDZMFCBX-MGCOHNPYSA-N 406.766 1.716 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)NCC3CC4(C3)OCCO4)c2)OC1(C)C 2267722756 YNSHGMGAYXNMET-UHFFFAOYSA-N 409.313 1.417 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1CN 2282325365 DJXYMTKXPKUTEI-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H](C)NC1 2282326555 UTQVURVHBJOMRK-WCQYABFASA-N 400.375 1.775 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3[C@@H](C2=O)C3(F)F)OC1(C)C 2282331590 PFUMIYZSATVHKV-WPRPVWTQSA-N 405.253 1.460 30 10 HDEE CCCC(=O)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332834 GZLPMOFWSNUXAT-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS(=O)CC3)c(Cl)c2)OC1(C)C 2282409797 SCLJMEZPNZVIMP-UHFFFAOYSA-N 419.761 1.392 30 10 HDEE CO[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282411054 ZZMUHXUFEBWIEW-NWDGAFQWSA-N 403.331 1.048 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282490307 HAKHUYYUVWWOGJ-NSHDSACASA-N 402.347 1.429 30 10 HDEE CNC(=O)C(C)(C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495588 OGSZJXHFHDYLKS-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@](C)(O)C(F)F)OC1(C)C 2282510399 XXEZESPFVKDRAO-HNNXBMFYSA-N 411.301 1.483 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C(N)=O)CCC1 2282833406 WYYQFVANLMEJBD-UHFFFAOYSA-N 400.331 1.042 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCS[C@@H](CO)C1 2282835137 PTBVTXWYOQEXOU-GFCCVEGCSA-N 419.399 1.454 30 10 HDEE CC(C)N(C[C@H](C)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839783 IYPFKGNWXAQOCS-LBPRGKRZSA-N 404.363 1.363 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282846258 HIZALQRTMKDJKB-CHWSQXEVSA-N 401.359 1.892 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2282848952 UTOWXLXDGJFFLE-INIZCTEOSA-N 403.331 1.131 30 10 HDEE COC[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1=O 2282851176 YNGUFDWAGJEFTE-NSHDSACASA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](CO)C2CCC2)OC1(C)C 2282855892 KOCYQBACXVKNRF-CYBMUJFWSA-N 401.359 1.734 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284393269 JABNRWQEFZLFCF-LLVKDONJSA-N 401.315 1.663 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCS[C@@H](C(=O)O)C2)OC1(C)C 2284397217 JZYPJECGFFEGBR-LLVKDONJSA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)CCC(=O)O)s2)OC1(C)C 2284403163 QZTBPDGZQPWIFU-VWLOTQADSA-N 423.343 1.309 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](F)C(=O)O 2284410039 QLMIJEFZYWGQMN-JOYOIKCWSA-N 407.294 1.384 30 10 HDEE COC[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)CC2(C#N)CCC2)C1 2289500539 RCBWLERUODKSBJ-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2327906573 HIDMGIQINIVQRN-ZDUSSCGKSA-N 419.507 1.770 30 10 HDEE Cc1ccsc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329013168 OHYLCILAXLJFMR-LBPRGKRZSA-N 406.537 1.832 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CC1(NC(=O)OC(C)(C)C)CCOCC1 2365206273 XZNDYJHRUSYVPI-OAHLLOKOSA-N 402.557 1.865 30 10 HDEE C[C@@H](C#CC(=O)O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2366845975 JOMVVTZSLWTSJQ-VIFPVBQESA-N 419.717 1.456 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789431 DCQIDBJGACRJJM-ACJLOTCBSA-N 401.481 1.484 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793037 AQXXKFNDWBNSRS-OWCLPIDISA-N 401.525 1.590 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccccc3)c2C#N)C1 5189890 METYGXSGKAAWHD-UHFFFAOYSA-N 403.485 1.937 30 10 HDEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 96351102 WHFYSLZKKKNNKT-KRWDZBQOSA-N 420.444 1.876 30 10 HDEE COc1ccc(OC)c([C@H]2/C(=C(/C)O)C(=O)C(=O)N2CCCN2CCOCC2)c1 102436855 AWOWYDOPKVMSQJ-ZSFFSCSXSA-N 404.463 1.711 30 10 HDEE CC[C@H](C)OC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)O[C@H](C)CC)=C(N2CC2)C1=O 111462501 NDTYNPXZXAMKER-TXEJJXNPSA-N 420.466 1.242 30 10 HDEE COc1nc(NN=Cc2cc(OC)c(OC)c(OC)c2)nc(N2CCOCC2)n1 252627838 SCKNVBYVVNMDTJ-UHFFFAOYSA-N 404.427 1.189 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1OCC(=O)O 427286183 CZYAPDZIPQKDLW-HNNXBMFYSA-N 417.443 1.567 30 10 HDEE COC(=O)c1ccc(NCCCc2nn(-c3ccccc3)c(N)c2C#N)nc1OC 444828663 MQAZXVYTKYWZCL-UHFFFAOYSA-N 406.446 2.561 30 10 HDEE COc1c(C)cnc(Cn2cnc(NC(=O)CNC(=O)c3ccc(C#N)cc3)n2)c1C 447702405 CJJHSWWUOLEEPN-UHFFFAOYSA-N 419.445 1.587 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H]1CCCO1 460932810 ODHDOSLNKLLWTC-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 466668532 DIVIOAUDELOSFX-UHFFFAOYSA-N 409.381 1.610 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(F)c(CN(C)C)c1 482183060 PMDHPBLHMKYROI-AWEZNQCLSA-N 418.494 1.742 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)ccc1F 488701836 ZINZADMDPRADPK-UHFFFAOYSA-N 417.871 1.608 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1C#N 489065179 CVPBTHVHYZHEDX-UHFFFAOYSA-N 422.532 1.568 30 10 HDEE CCCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 492895273 SJDZKKGDBVYXHA-UHFFFAOYSA-N 413.503 1.604 30 10 HDEE C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@]2(C)CCC[C@](C)(CC(=O)O)[C@@H]2[C@@H](O)[C@@H]1OC=O 504309042 ADTJBXOQJVMRCY-HCUJSRIASA-N 420.458 1.025 30 10 HDEE biogenic C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(O[C@H]3CCCC[C@@H]3O)cc2)C1=O 505208442 BAXFKFNAFRYWND-HOTGVXAUSA-N 401.419 1.284 30 10 HDEE N#Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)ccc1F 505590571 NSFBFVXQVRQBTN-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)[C@@H](C)CC#N)CC2)cc1 509400020 BXIKWMZANHWZSW-HNNXBMFYSA-N 408.524 1.758 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)CC1 522307936 PCSHUXWESYTERA-MRXNPFEDSA-N 402.495 1.366 30 10 HDEE C[C@](C#N)(CCc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 532687382 RWEZNKPCGYRJTR-HXUWFJFHSA-N 422.470 1.743 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 534604544 CNXIUVDPWRLSAK-GOSISDBHSA-N 423.538 1.604 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539452344 BZPOYAJWPBYRFH-ROUUACIJSA-N 417.579 1.790 30 10 HDEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccn12 541081289 CIRZCGLWYCFOIC-UHFFFAOYSA-N 412.431 1.625 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)c1 546210625 VSZYCNCORCXWDE-FQEVSTJZSA-N 407.474 1.898 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc4c(=O)n5c(nc4c3)CCC5)CC2)n1 546877099 NACQVPKEISOVOJ-UHFFFAOYSA-N 400.442 1.572 30 10 HDEE COCC(=O)N1CCc2c(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)cccc21 546923616 IJBAYZOFBBEYTA-UHFFFAOYSA-N 420.473 1.843 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3o2)cnc2c1c(=O)n(C)c(=O)n2C 555363765 QBHCPTOCVWAYRJ-GFCCVEGCSA-N 403.398 1.826 30 10 HDEE COC(=O)[C@H]([C@@H](C)O)N(Cc1ccccc1)S(=O)(=O)c1ccc(C#N)cc1F 558442045 DTKDGHULLYXQAG-ACJLOTCBSA-N 406.435 1.811 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC3CCC(C(=O)NC(N)=O)CC3)C2)c(F)c1 572653869 VBAIGVVQVXXRSJ-SHARSMKWSA-N 401.442 1.394 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 574487872 BNNNNCCKKJBCCS-KBPBESRZSA-N 417.539 1.514 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCS(=O)(=O)NCc2ccccc2)ccc1Cl 604034225 RUGTXLJAPPGUSG-UHFFFAOYSA-N 413.908 1.610 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(C(=O)N3CCCC3)CC2)C1=O 725768926 PEBGWAXTLGSALZ-QFIPXVFZSA-N 409.490 1.617 30 10 HDEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCS(=O)(=O)C1 729333975 DZDKYPWPHIOQOM-INIZCTEOSA-N 422.304 1.897 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCC2)C1=O 730463634 ZIEBJJRJSNJOPA-INIZCTEOSA-N 417.535 1.337 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N(CC)CC)c(F)c2)CC1 734277523 WQTSLKBCRHLLRL-UHFFFAOYSA-N 405.518 1.801 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1cnc2c(oc3ccccc32)c1=O 734291053 FASJEJQNCQAGNZ-UHFFFAOYSA-N 422.422 1.828 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCOCC)c2=O)cn1 735067885 AYVFNBKEADWGNL-UHFFFAOYSA-N 416.547 1.671 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)CC1 743178710 IMBHCTCRORWWEI-QGZVFWFLSA-N 401.511 1.363 30 10 HDEE C#CCN(C(=O)CCn1c(S)nnc1-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 747368329 RLJCGMJCSZXYRS-MRXNPFEDSA-N 418.544 1.581 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 751733866 JNDINOOFQUMTPF-UHFFFAOYSA-N 412.471 1.881 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CS(=O)(=O)N(C)C)nc1C 752133139 HGXLXDKEZRHPRL-UHFFFAOYSA-N 402.527 1.015 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CCc2ccccn2)c1=O 758071367 LWNMHSHQNTYAPR-UHFFFAOYSA-N 417.450 1.791 30 10 HDEE COc1cc(Br)cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 765864191 ROBFRMPIHJFAKL-AWEZNQCLSA-N 407.268 1.595 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 774690413 SFYKDXIHDSQALW-ZWKOTPCHSA-N 414.462 1.322 30 10 HDEE C#CCN(C(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1)[C@@H]1CCS(=O)(=O)C1 777654906 WCABJYCMWDGBFW-QGZVFWFLSA-N 417.487 1.211 30 10 HDEE CCOC(=O)[C@@H]1[C@@H](NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 788642689 HHSAJHHGIQTNLZ-XKLHNDIHSA-N 422.482 1.044 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc3c(c2)CCS3(=O)=O)n1 789088706 BCYARJREUVPAQO-UHFFFAOYSA-N 416.503 1.204 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(S(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790583948 WEMUJMUXZPLVIY-SFHVURJKSA-N 401.529 1.612 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(N(C)C(=O)OC(C)(C)C)CC1 800047241 IQIGKYKVQVGPAD-UHFFFAOYSA-N 404.533 1.425 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)[C@@H](O)C1 800958219 KODZBNIQOIAMMT-CABCVRRESA-N 401.529 1.608 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S[C@@H](C)C(N)=O)n1 800966231 CCGUSFDPTKYZMZ-HNNXBMFYSA-N 400.504 1.771 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 801616783 JIQWPIZNUZSHMR-QCZMXMRRSA-N 408.480 1.131 30 10 HDEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 804374207 GVSQGYFIZMVJAZ-ZWNOBZJWSA-N 405.398 1.293 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 811880318 LDTNNCJISAFUQP-QGZVFWFLSA-N 423.539 1.391 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 813540391 FWNYBCOMIBQGIM-ISLYRVAYSA-N 418.494 1.905 30 10 HDEE CC(C)CN(C(=O)COC(=O)c1cc(C#N)cc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 814571915 FSEAARBEDLESPO-QGZVFWFLSA-N 421.519 1.453 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)CC1 814678235 PJLWQUJUSNXNAL-KDURUIRLSA-N 404.555 1.343 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 919932271 PJADPRUNRMIZCB-UHFFFAOYSA-N 421.423 1.951 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCC1CS(=O)(=O)C1 1116863632 IKAHOZGHSDDQOS-UHFFFAOYSA-N 410.395 1.748 30 10 HDEE CO[C@@](C)(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1127911494 FHALDIRJMMMXGD-KKSFZXQISA-N 401.463 1.917 30 10 HDEE CCN1CCN(CC(C)(C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1129808271 MTIPTTBWLOKDRO-UHFFFAOYSA-N 421.567 1.024 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)cc1OC 1129890124 VPUXSINPRYRRKE-XAVKZTDYSA-N 402.447 1.553 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](C(=O)NC)C1 1129905925 SMNPITYVNXBYSH-GFCCVEGCSA-N 410.268 1.693 30 10 HDEE CC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1NC(=O)OC(C)(C)C 1138039206 HLBCKFJXQNAANZ-ZFWWWQNUSA-N 419.482 1.362 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SCc2ccco2)CC1 1152968074 YBBDNNNWUAJIHI-UHFFFAOYSA-N 419.528 1.797 30 10 HDEE O=C([C@H]1CCS(=O)(=O)N1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157813834 MDZMJEHBTVUNTL-DSYKOEDSSA-N 416.290 1.308 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1160058931 GFOXCHAGKMUEBG-HNNXBMFYSA-N 402.451 1.305 30 10 HDEE CN(C)CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1161848766 JPKPLNIUHVSGIO-GOSISDBHSA-N 401.492 1.041 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](Nc4ncccn4)C3)ccc2c1=O 1183763431 OTWJQWNQQOMBFY-AWEZNQCLSA-N 408.487 1.988 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccc(C)cc3C)c2)CC1 1203440892 SIUMXFXRABTEPD-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE N#Cc1cc(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ccn1 1208085294 GODSKFGJQZMCKK-INIZCTEOSA-N 408.466 1.370 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(C(=O)NC2CCCCC2)CC1 1251788593 COZGTSBHUKUKJU-CZIZESTLSA-N 417.510 1.383 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1 1256047131 AMLBYHYNILIEAB-HOCLYGCPSA-N 408.549 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1286271642 UOTVXFHHOQKVPU-SFHVURJKSA-N 416.570 1.909 30 10 HDEE C#CCCCCn1c(C)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1286315232 CHCCOAGBABYLLJ-UHFFFAOYSA-N 408.553 1.666 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286396927 XGHJXFMLZRTIAU-RZQQEMMASA-N 424.567 1.033 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@@](C)=O)CC1 1286403594 MJRRSRQWNZWINQ-GDLZYMKVSA-N 410.499 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)c1ccccc1 1286415079 HONSSVICRNGEBL-LJQANCHMSA-N 404.518 1.998 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCc1nc(C)no1 1286423074 QLLZONXAAQECQC-NRFANRHFSA-N 412.494 1.717 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(=C)Br)CC1 1286493105 LKRDLKDLTNSSNE-HNNXBMFYSA-N 422.327 1.656 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)COC1 1286767426 RSGMBLFXSRNMOT-UHFFFAOYSA-N 410.482 1.596 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCO[C@@H](COC)C1 1286780759 QEWLGHIFQHCPIP-MOPGFXCFSA-N 413.522 1.974 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1nncn1C 1298583711 QYDLBQJRUDIRFB-UHFFFAOYSA-N 422.493 1.829 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1300310898 PSNPAVRTSVHPLP-NXOAAHMSSA-N 409.556 1.505 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504690 QOPBJWPGTBXANF-KBAYOESNSA-N 421.567 1.239 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1300537789 KGWHQBQPERQGCQ-QGZVFWFLSA-N 404.536 1.338 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1300631490 RDGFBFRIKFHRQT-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1300672303 XYSSITJLKMXFKR-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1300755180 NKLFHWCSMVQATF-TWOQFEAHSA-N 414.535 1.874 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1300776341 HKKMAGYXWFDSCY-SFHVURJKSA-N 413.503 1.961 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)CC)n1CCNS(=O)(=O)Cc1ccon1 1300780457 QKQUERHBDWWHJO-HNAYVOBHSA-N 420.539 1.891 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1300839053 CGCGONNLGGKTFH-OCCSQVGLSA-N 418.299 1.891 30 10 HDEE COC[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301273669 IOAMHADXDVPNRO-STGLLQLASA-N 400.483 1.545 30 10 HDEE C=CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1301597411 QNJKDPPNXFNVOR-KRWDZBQOSA-N 417.535 1.824 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CO)(C(F)(F)F)CC1 1304305406 ZWVRYRGCWXMXJY-UHFFFAOYSA-N 419.425 1.279 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1307930201 VBPYRDWPIPFUBZ-SLFFLAALSA-N 405.454 1.415 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1309576101 VVQBQJWAEVMQOY-CQSZACIVSA-N 404.410 1.320 30 10 HDEE CC[C@H](C)N[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccco1 1312679889 INKDTZOYJBTXPH-SWLSCSKDSA-N 400.439 1.109 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(F)c1 1315496131 BJQMYBHSSNAJBI-ZFWWWQNUSA-N 421.498 1.972 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1316541301 WBVKXKJHGYPGRT-QWHCGFSZSA-N 423.399 1.910 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1320320830 VBGSBXUOMQIXBO-MSOLQXFVSA-N 402.491 1.898 30 10 HDEE CCOC(=O)C(NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)OCC 1352460472 PAMSZXHWSXNCJT-UHFFFAOYSA-N 413.224 1.311 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)cn1 1353853193 CXMZCJWQMMONJZ-UHFFFAOYSA-N 410.499 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1358871510 GNWKUBLBAYWZJT-ULQDDVLXSA-N 410.588 1.611 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN2CCOC[C@@H]2C)c1 1358903339 SXCWSQIQVUHRTD-KRWDZBQOSA-N 410.522 1.617 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1358920395 YFBSRTGOJITHOW-JKSUJKDBSA-N 418.523 1.354 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1358936196 GKTPENMMLDWVSL-APWZRJJASA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1358946667 DNPVPDLBLOHUII-OAHLLOKOSA-N 407.478 1.384 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1358965006 LYQJWVQVODIRJZ-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CO)c1 1358968807 ZYVLSAKHQNAEJI-UHFFFAOYSA-N 400.442 1.539 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1358982811 LKSVYKGSVNJNOW-VGOFRKELSA-N 410.474 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1=CCCOC1 1359021371 MSYWPISYWFVIIL-UHFFFAOYSA-N 420.477 1.354 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359135454 DNYOGHOYCRMKKT-QZTJIDSGSA-N 403.527 1.856 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1359277206 FNOOWVWLSHZGRA-IAGOWNOFSA-N 401.467 1.473 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359287572 LXZSDLJFJQVRDJ-JHJVBQTASA-N 423.461 1.432 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)C(=O)OCC 1438404495 PTJPGCCTOUDLKX-LSDHHAIUSA-N 410.833 1.436 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1[nH]c2ccccc2c1C#N 1450964012 NLKXXACOGOZBIE-ABAIWWIYSA-N 400.460 1.622 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ncc[nH]1 1451202499 GVXPGANMPLOJKS-CQSZACIVSA-N 409.471 1.932 30 10 HDEE C[C@@H](CC(=O)Nc1cccc2c1CCNC2=O)/N=C1/NS(=O)(=O)c2ccccc21 1451421607 CMSQYILUKBQESR-LBPRGKRZSA-N 412.471 1.428 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1456083758 ITCDEUVYKVMEJA-ZBFHGGJFSA-N 421.906 1.766 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)nn1 1459941926 NLTVNKABASTADM-CYBMUJFWSA-N 401.423 1.024 30 10 HDEE CCOC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1462801642 BPMNXUCVHWOUGL-LBPRGKRZSA-N 419.322 1.990 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)CSC3=O)CC2=O)cc1Cl 1464326457 IRNAAWRHUDUPJG-NSHDSACASA-N 406.851 1.376 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(COC)cc(C(=O)OCC)c1 1464615250 AVMCWGHQVPJASU-UHFFFAOYSA-N 408.520 1.728 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)NCCN1CCOCC1 1464842973 ZNBWCCOFNNQFME-QRWLVFNGSA-N 411.506 1.632 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1466645203 ZHRZLYSMHAHMFL-UHFFFAOYSA-N 410.377 1.112 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2nc3c(s2)COCC3)[C@H](C#N)C1 1469730464 MJAJWROMARRRLU-DGCLKSJQSA-N 407.496 1.774 30 10 HDEE C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H]1CN(C)CCN1C 1471600174 HCIGQOZCTDMJOZ-DNVCBOLYSA-N 403.502 1.884 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CSC)C(=O)OCC)ccc1F 1471865677 ASLULPYZGVEEKL-ZDUSSCGKSA-N 404.485 1.315 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@@H]2C)CCO1 1503770720 FHAXDIAIGSZDNI-LZFQIVBZSA-N 424.505 1.319 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507630827 IMRMFORNYZTERH-MRXNPFEDSA-N 401.492 1.247 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507631648 ROWOXEOXAHRPSH-RDJZCZTQSA-N 416.551 1.383 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635398 VXPGTRAPFCXEKF-FUHWJXTLSA-N 421.611 1.976 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507635524 WVDDVUAVMVTPGR-FGTMMUONSA-N 408.568 1.776 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(F)cc1)N(C)C 1507636653 CFFMOYWUBLUMPF-LJQANCHMSA-N 410.497 1.931 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1507639046 VEJLELYWRJCXSM-HZPDHXFCSA-N 412.581 1.900 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507755604 VNFUKIWRIGYZGZ-IRXDYDNUSA-N 420.583 1.143 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCNS(C)(=O)=O 1508004732 PINPHOWPBDWOHE-UHFFFAOYSA-N 415.523 1.420 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC(=O)N1C 1512421357 RQQMOFVDNFRWBE-YOEHRIQHSA-N 421.505 1.398 30 10 HDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1517825265 CWKAENPVUPTATJ-ZWKOTPCHSA-N 415.519 1.865 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1519078586 UMVKZDDCWUSEAQ-UHFFFAOYSA-N 405.480 1.000 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1519446115 BAIBUHHKJQUTJY-XQLPTFJDSA-N 413.425 1.155 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)n2)C1 1520225963 VOGVCDYZUYZSCU-CYBMUJFWSA-N 400.888 1.119 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOCC2CCOCC2)CCO1 1521130261 UEFXAEMKJVSIQR-MSOLQXFVSA-N 405.499 1.344 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1529533724 HUFLANUSWKJUQH-MRHSLFKSSA-N 408.520 1.805 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1539116755 RISWGOCHXMZOIA-UHFFFAOYSA-N 412.494 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1539315160 GCGMMUJRYPNLAM-KRWDZBQOSA-N 422.489 1.383 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc(C)cs1 1539400894 MTVYVHXUNUWSTP-IBGZPJMESA-N 405.524 1.829 30 10 HDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539688797 PASQNZVULFSVTM-HNNXBMFYSA-N 405.524 2.000 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539918998 UYZQHZBGBJBGRQ-HRCADAONSA-N 400.527 1.889 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540478284 PWELMFIWTFKCRQ-IBGZPJMESA-N 400.523 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCCC2)C1 1540862036 PBJBVEAWQSIDQJ-UHFFFAOYSA-N 418.542 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(O)cc2)CC1 1540868225 WYAXLXWBWSGQBX-UHFFFAOYSA-N 421.505 1.618 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1OC 1540869289 ICMWWNLEYUZCJS-MRXNPFEDSA-N 412.494 1.219 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1540869483 OPQJFZDWNWXRAI-UHFFFAOYSA-N 411.466 1.438 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nncn2C)C1 1540894450 XYEFAAQNENEBMZ-KRWDZBQOSA-N 409.494 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]2CCC[C@H]21 1540907210 ORHZUMJDOMIUTQ-IAGOWNOFSA-N 421.567 1.770 30 10 HDEE CCOC(=O)CN(CC)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1542938628 JANRBAFAICPULG-UHFFFAOYSA-N 409.508 1.697 30 10 HDEE CCOC(=O)[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)=O 1543124004 KFXWMYGWKMFWPR-ZKCWRFQVSA-N 423.491 1.596 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN(S(C)(=O)=O)CC1 1543145639 YIVNITGJYKXTLF-CQSZACIVSA-N 402.517 1.114 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@]3(C#N)CCCOC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1557134782 RAWRRHUAWVVQSD-YRNRMSPPSA-N 403.483 1.560 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1c1ccncc1 1558130933 CHGVBGXHJVLCSC-CQSZACIVSA-N 402.451 1.869 30 10 HDEE C[C@@H](O)CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(F)F 1559838853 HIZQCGXYQNOBEP-CYBMUJFWSA-N 423.420 1.403 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2ccc(C#N)cc2)CC1 1560077545 PMZYTPMTZKSSLC-UHFFFAOYSA-N 411.428 1.159 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N(CCOCCO)C3CCC3)C2=O)cc1 1564547037 FFTTVKUIKHGBSJ-IBGZPJMESA-N 400.479 1.627 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1564957891 HGHILGCZWOKKJC-ULQDDVLXSA-N 424.542 1.640 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1566016014 ZFJHVOMBCWOHSW-PXAZEXFGSA-N 405.252 1.358 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)o1 1569041121 AQNLRAAQMVHIMI-OAHLLOKOSA-N 418.475 1.518 30 10 HDEE CC[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1569357342 BHWORICDNMEVSW-GFCCVEGCSA-N 410.496 1.145 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)C1=O 1585446344 RKXHCDFBYHHVQR-CVDCTZTESA-N 418.453 1.925 30 10 HDEE CC(C)[C@H](NC(=O)CC1(C#N)CCOCC1)C(=O)N(C)Cc1nnc2n1CCC2 1586540446 QXJSMTSETMDRIF-SFHVURJKSA-N 402.499 1.034 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1587856164 HTZPDLMYCJPPFT-INIZCTEOSA-N 422.551 1.716 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC1(O)CCOCC1 1588020574 RUYSUQXXBCXITG-INIZCTEOSA-N 419.526 1.961 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1588049138 ARRGOUUIBLWYDF-KRWDZBQOSA-N 423.502 1.114 30 10 HDEE C[C@H](CC(=O)N1[C@H]2CC[C@H]1CC(CCO)C2)/N=C1/NS(=O)(=O)c2ccccc21 1588082585 UCLGLURCQKULOP-KBMXLJTQSA-N 405.520 1.656 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccco2)N(C)C)CC1 1588732472 BFCFTBOEDYHCLY-KRWDZBQOSA-N 413.526 1.067 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1589069582 LWVSSDDQGJNFDY-QGZVFWFLSA-N 420.583 1.732 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1589208362 ZXXALTIFYIHHOQ-LJQANCHMSA-N 406.552 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@H]1C 1589495390 QMHBPQWDGRMOBQ-NTDBWNAOSA-N 421.542 1.650 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1593682819 DJICCSIZSMJVII-NQIIRXRSSA-N 405.543 1.807 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1593768291 CSCVKCXYMRVKFI-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1)c1cc[nH]n1 1594213082 KKOMJAIZFBGINS-PWSUYJOCSA-N 406.361 1.262 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1C(C)(C)C 1595601908 ACNQINVMXUJNDF-UHFFFAOYSA-N 400.483 1.433 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)C1 1595789850 CTBRFCLVZOGHBU-HOTGVXAUSA-N 401.511 1.850 30 10 HDEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1615316471 CBKCIYHEMUPUKE-SFHVURJKSA-N 423.521 1.777 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)Cc1cccc(OCC#N)c1)CCS2(=O)=O 1616811024 QUKCWTLWPKBPRU-NGEICVOHSA-N 420.487 1.147 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N(C)C1CC1 1616922750 MJSZYISWFPRINX-KRWDZBQOSA-N 424.553 1.891 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1618349958 MOQHZWMTTWTVMQ-BQYQJAHWSA-N 416.503 1.437 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCCOCC3)CC2)c1 1622221178 MHXMHYTVZSQIEM-UHFFFAOYSA-N 407.536 1.478 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2c(Br)nc3n2CCC3)CC1 1623669658 UDYKALROFCDDSE-UHFFFAOYSA-N 401.268 1.821 30 10 HDEE N#C[C@H](CCc1ccccc1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1623788314 BALCTEQBXJYUHL-OALUTQOASA-N 405.520 1.412 30 10 HDEE COc1ccccc1[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1624290691 CRXPPKCASDFVBI-QGZVFWFLSA-N 415.471 1.334 30 10 HDEE N#C[C@@]12CN(C(=O)C(F)(F)c3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1626655676 JNKOLQATMDSROS-HZMBPMFUSA-N 419.247 1.938 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCc1c(C)nc(O)c(C#N)c1C 1626853763 AFHFRFGSEJDLQL-IAGOWNOFSA-N 418.494 1.959 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1629572923 DRZCMQCYINQCBB-MJBXVCDLSA-N 422.931 1.437 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(C#N)c(OC)c2)c1 1630575746 KEIDTBCYUFVJAT-UHFFFAOYSA-N 418.475 1.786 30 10 HDEE C#C[C@H](NC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)[C@@H]1CCCO1 1634469098 FKTUQLPWWJSUSX-HOTGVXAUSA-N 401.417 1.853 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nc(O)c(C#N)cc1C 1634925205 DYFTWSGBCDJILB-AWEZNQCLSA-N 418.450 1.592 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3ccnn3C)C2)s1 1636259738 XNZJCHVUTWJQFJ-HNNXBMFYSA-N 410.521 1.089 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cccs3)nc2C)CC1 1636475731 VCWFPJAAQITNQZ-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)n(-c2ccccc2)n1 1636633016 DNRQNOKVRUJEBL-CQSZACIVSA-N 406.446 1.452 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1639248645 BWWRLPLCLLFFJX-MSUUIHNZSA-N 406.483 1.761 30 10 HDEE CC1(c2nnc(C3CCOCC3)o2)CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1640868123 MDLMGNLQMHCITM-UHFFFAOYSA-N 409.446 1.365 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](CC(C)(C)C(N)=O)C3)CC2)o1 1643139773 HZZXKTFPNHXZDX-MRXNPFEDSA-N 416.526 1.117 30 10 HDEE CC1(C)OB(C2CCN(C(=O)Cn3nc4n(c3=O)CCCCC4)CC2)OC1(C)C 1643827542 PMTJWPCEXISKCJ-UHFFFAOYSA-N 404.320 1.856 30 10 HDEE CC[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1645918617 CDMZONLFSHLOPT-ZIAGYGMSSA-N 423.535 1.988 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)cc1 1646436527 JSZPTHTZOAHGOJ-HNNXBMFYSA-N 415.475 1.268 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CCN(c4cnnc(O)c4Cl)C3)n2)c1 1647764878 CQFLGZALYLVFNF-ZDUSSCGKSA-N 409.837 1.902 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)c1C#N 1648571869 BCELBECKWQQSIE-UHFFFAOYSA-N 415.519 1.363 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1650820946 XWKLOGPICRVKHO-GOSISDBHSA-N 404.405 2.000 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 1650834229 ZNMMAOUFPXEIIY-XGHQBKJUSA-N 406.527 1.612 30 10 HDEE C=CCOc1ccc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1OC 1650977392 HNSBXAXPMRRDEY-IBGZPJMESA-N 403.523 1.786 30 10 HDEE C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1654975097 NKHXWUUMJXADRZ-FHSNZYRGSA-N 413.902 1.696 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC(CO)(CO)C1)CCCC2 1659417042 DFBIMCSBFNDDAL-MRXNPFEDSA-N 416.522 1.033 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1 1667956248 MEGXGLAFVGVPNG-QAPCUYQASA-N 409.556 1.249 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N[C@@H](C)CC)cc1)[C@H]1CCS(=O)(=O)C1 1676787979 BCOCTKPGQXYWLT-YJBOKZPZSA-N 405.520 1.547 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 1680910061 SDFOVHDWARNKRT-ZNMIVQPWSA-N 401.529 1.674 30 10 HDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682478398 GQWVEDDBPFTOAL-KRWDZBQOSA-N 407.540 1.150 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1683689000 JQLNCKQUWSDICV-LJQANCHMSA-N 424.542 1.925 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1)C1CCOCC1 1687123810 LOMMWQSLTLKUKO-FQEVSTJZSA-N 404.555 1.533 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1689823954 DJILXRNPFIGHRJ-KRWDZBQOSA-N 408.506 1.710 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1689825809 CYSNPCYGXNKHEY-UXLLHSPISA-N 405.524 1.734 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1689928469 OTFHTRNWZYEANM-QGZVFWFLSA-N 400.527 1.726 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1689940272 SVLGSKASTAPMOX-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690040709 LWKNHEIAFHAVKC-SFHVURJKSA-N 411.531 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2ccnc21 1690052184 CKIXUSMOMBIARJ-SFHVURJKSA-N 405.506 1.638 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)N(C)C)CC1 1690119637 MGDYRKQOKIHLBH-QGZVFWFLSA-N 410.522 1.422 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690124812 VAYNUTFOKKQGJT-HXUWFJFHSA-N 415.630 1.648 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690159616 GYGGCTSXKHALLU-QGZVFWFLSA-N 415.519 1.271 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690343680 AOEJYOCUJAMRQL-CQSZACIVSA-N 403.936 1.744 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690455755 NHZGXSSYXKHKGP-INIZCTEOSA-N 407.482 1.589 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F 1690583356 IEUBGKBYTAGPCV-UHFFFAOYSA-N 400.405 1.371 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1705552016 UMUXCYDUCMHFFU-QGZVFWFLSA-N 421.498 1.176 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccc(C(N)=O)c1 1705556447 QNIMOENMXIAKKA-UHFFFAOYSA-N 422.514 1.681 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1705639301 LJGONOZWVNGATM-MRXNPFEDSA-N 404.515 1.062 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705735658 VJJGIHFYTIMFGO-QZTJIDSGSA-N 407.515 1.106 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705754863 HETVPCZSDFHGEH-HOTGVXAUSA-N 410.950 1.571 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2)C1 1705917144 VAMFNSPZXCSPLU-YOEHRIQHSA-N 423.514 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705933306 BHLGEQYSIYXDEM-QAPCUYQASA-N 415.519 1.625 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCS(C)(=O)=O 1707892073 KUCDSXCJRMJYFL-UHFFFAOYSA-N 404.496 1.336 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1708209234 HZOFHQGTFCNWJM-OLZOCXBDSA-N 407.521 1.635 30 10 HDEE CO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1711531086 YVLNBZDFLOALCY-RYUDHWBXSA-N 404.393 1.112 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1712263796 FYRZDGNRDSIYBF-INIZCTEOSA-N 403.508 1.724 30 10 HDEE COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1712425191 BATWOJRKKKHQCQ-NRFANRHFSA-N 416.501 1.898 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1722310246 JQHUBDVIELEPIU-UHFFFAOYSA-N 415.519 1.431 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCOCCS(C)(=O)=O 1722347855 QYCNQXUFJCFNGY-UHFFFAOYSA-N 414.890 1.868 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(N(C)C)CCOCC1 1722387009 PNFNCCKJAHIFMS-UHFFFAOYSA-N 409.538 1.323 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1722418914 HVIFKJCJTKSTJT-UTKZUKDTSA-N 419.526 1.231 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@H](O)C1 1722427128 HJSLEDBTNKKZJU-XWSJACJDSA-N 406.527 1.639 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NCCC)CC1 1722436200 ZLQARZNFUWFHQE-UHFFFAOYSA-N 424.505 1.345 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(CO)c2)CC1 1722438706 YOLPJIXKNHRVFK-UHFFFAOYSA-N 402.502 1.944 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC[C@H](C)C2)CC1 1722439040 LSUPJJXNVHVYCS-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](C)(O)c2cccs2)CC1 1722447203 JCLUUULTNIVEPC-HXUWFJFHSA-N 401.536 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 1722448285 XHXDVIAMOJBNNT-INIZCTEOSA-N 409.481 1.867 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722492199 DMUGKJSRGIKFGO-HQRMLTQVSA-N 404.559 1.604 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1722517963 QQBOOOFXLZPZOM-SJORKVTESA-N 411.572 1.303 30 10 HDEE CCc1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727634290 VNCMVOMMIMLKLQ-NZPJPHLJSA-N 400.483 1.228 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1730683713 DMKKQXAIGSZVGC-HTXNQAPBSA-N 414.466 1.846 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1731182211 QYQSYOQVKLTZIE-RTBURBONSA-N 424.505 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1740542507 WRJVPLXMYVSQOH-OAHLLOKOSA-N 421.509 1.684 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1740578823 HHOHKBBBTDIQDA-SFHVURJKSA-N 412.538 1.670 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COCC)cc1 1740610319 WXMBGLADMRFFCI-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(CCN(C)C)CC1 1740612984 OQRSYYNPFWPKSQ-UHFFFAOYSA-N 412.586 1.483 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1740666564 UGPWVSGEFNUOIV-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCSCC(F)(F)F)CC1 1740695352 OCLSMCXQLDXEPP-UHFFFAOYSA-N 413.473 1.729 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1740850262 DVNVIPZLZBEIEK-JKSUJKDBSA-N 424.571 1.952 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740887016 ZVJSLOKGHCCYND-DYESRHJHSA-N 419.526 1.377 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1740987172 QFUCFCPTVZZEBM-UHFFFAOYSA-N 416.429 1.559 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1OCC[C@H]1C 1741931653 RGKOIRZUSQMRNV-FSZRXZPDSA-N 410.544 1.443 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1745801029 AVMKFPSSCTVWSU-MRXNPFEDSA-N 418.885 1.765 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1748771684 MWUQAQGQZYXFHN-LJQANCHMSA-N 412.556 1.601 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748789319 YBZUQRRXFWWBGW-HXUWFJFHSA-N 422.533 1.938 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)COCCO1 1748831496 OCGMJFFEFXISPV-QFIPXVFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1748906359 CSGKICXISQLFDQ-UHFFFAOYSA-N 418.461 1.787 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1748962992 VWPNNWYSFLZEPI-MRXNPFEDSA-N 410.540 1.083 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1749460205 JXVVIXGRDOTGIC-QGZVFWFLSA-N 405.418 1.728 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1749664642 VIKJUCDUBXJNEV-MRUHUIDDSA-N 412.494 1.415 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC)CC1 1749666745 QZDSTHNKLSURMU-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCCNS(C)(=O)=O)C1 1749703835 PMOUVKBKBGZTAG-KRWDZBQOSA-N 405.524 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1760118154 ZDJNQBYFCWXPDM-HDMKZQKVSA-N 411.597 1.075 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H]1COCCO1 1760198957 LULKKIHSAWIQEJ-SFHVURJKSA-N 408.458 1.595 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)OC 1760216665 WTPXMOGWCXVMEL-MRXNPFEDSA-N 404.474 1.690 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCS(=O)(=O)N(C)C 1760240852 FYGLCNOINBAMQL-UHFFFAOYSA-N 405.499 1.826 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760279288 YBNGBPFXMMVQSV-AEFFLSMTSA-N 415.567 1.202 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N1CCOCC1 1760340675 KCNMGMUQDZHVFD-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1760515986 UMEFOUHIRNBKCV-INIZCTEOSA-N 406.531 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1760550546 AXLBQXHQOIUZOZ-HNNXBMFYSA-N 406.512 1.832 30 10 HDEE COC[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769431558 FPEYSIUDCMFLJO-QBNCKDSPSA-N 416.526 1.866 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@@H]1OC 1769843302 FRKLBMPQFYKCQF-ROUUACIJSA-N 400.483 1.758 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)C1 1770726816 AFEINXIPLKYWRB-DNVCBOLYSA-N 402.430 1.871 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1770756985 RJONALBNMDQDGI-SFHVURJKSA-N 418.567 1.572 30 10 HDEE C=CCN(CC=C)C(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1848464475 VOROUKBCUYOILV-UHFFFAOYSA-N 416.503 1.164 30 10 HDEE C=CCN(Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@@H]1CCN(C)C1=O 1850382342 UZJSZEMNZKOBFR-CQSZACIVSA-N 402.451 1.981 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)c(OC)c1 1850693473 PQYZXGDNVQCHNG-ZDUSSCGKSA-N 417.425 1.932 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 1850943117 HLFZHWXTQUTSTI-UHFFFAOYSA-N 403.446 1.866 30 10 HDEE O=C([C@H]1CC(=O)N(c2ccccc2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851721729 UFMAQJNVBDLBHO-NSHDSACASA-N 403.382 1.910 30 10 HDEE CN(C)C=NC(=S)N(C(=O)CCC(=O)N1CCN(C)CC1)c1ccc(F)cc1 1853354461 HSKLDRJUEZLJTK-UHFFFAOYSA-N 407.515 1.588 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1853679211 GBWWZDXBPSRMJW-KRWDZBQOSA-N 423.579 1.750 30 10 HDEE CC(C)N([C@H]1CCCN(C(=O)c2cccc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1853839586 RSCLOIPLHXNHFG-MSOLQXFVSA-N 403.504 1.587 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854089501 LNLGWYZTLNVQDT-KRWDZBQOSA-N 401.488 1.200 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)c4ccno4)C3=O)CC2)c1 1854364323 JAVWMNNJJKPAFM-QGZVFWFLSA-N 409.446 1.863 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C1=O 1854660680 VQXKGNINUXYMOR-CVEARBPZSA-N 404.536 1.923 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)C[C@H]2CSc3nc(C)cc(=O)n32)C1 1854660699 VZTCXMWTCCGMMV-HOTGVXAUSA-N 404.536 1.862 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)C3CCOCC3)C2=O)CC1 1854863830 OBJMHEBRLMLYRQ-IBGZPJMESA-N 412.490 1.598 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 1855123258 LIDJRUMUFHGXFU-QGZVFWFLSA-N 409.490 1.599 30 10 HDEE CCOc1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)ccn1 1855128066 KORHAAAGESLPFV-OAHLLOKOSA-N 406.442 1.908 30 10 HDEE C[C@H]1CN(CCCC#N)c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C1=O 1856037597 FCZYXXTURFXTOW-AWEZNQCLSA-N 404.492 1.197 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1856637801 WZQSGKOSHHZIKA-MJGOQNOKSA-N 417.531 1.835 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)c1 1856777250 ROTWXBIDHXMJKP-CRAIPNDOSA-N 412.881 1.903 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)COc3ccccc3)C2)CC1 1857026199 IWOHPFSZNBXUHT-MRXNPFEDSA-N 405.476 1.006 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4ccc(OC)cc4C3)CC2=O)CC1=O 1857215343 LTKCMZMDHWYEGF-APWZRJJASA-N 411.502 1.463 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861259758 CGZUOKOYPWXMDQ-QZTJIDSGSA-N 415.877 1.428 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1866304398 JLJLSAQTXHINCT-ZDUSSCGKSA-N 406.398 1.707 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CC=C)CC=C)cc1=O 1870562343 AZCCPXFOVRDCFJ-UHFFFAOYSA-N 401.488 1.730 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651057 MKFGSNVRYIXRKO-UHFFFAOYSA-N 403.494 1.482 30 10 HDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N(CC)CC)ncnc21 1873596397 VBVQROJWBABSCN-UHFFFAOYSA-N 416.507 1.889 30 10 HDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)co2)no1 1890835693 YULQAKAEQDMOCI-ZDUSSCGKSA-N 408.374 1.784 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 1901464577 GNHFQZUHWSVTPZ-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2060558602 CJTHVGASZISJCH-LLVKDONJSA-N 414.304 1.983 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC[C@H]1CC2=NO 2071514553 MBFNOSLLTNCOIN-KGLIPLIRSA-N 405.476 1.707 30 10 HDEE N#CC12COC(CNS(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)(C1)C2 2103318291 NTHRLWVHGLGIIN-UHFFFAOYSA-N 417.487 1.445 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174782545 RIXCLXMNIHXSKM-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174784590 PQNRHILFCNQSKQ-JGTBNHKDSA-N 423.561 1.031 30 10 HDEE C[C@@H](O)CN(CCNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C 2174786062 GDENNYBSHAEIGI-OAHLLOKOSA-N 403.545 1.998 30 10 HDEE COC1(CCNS(=O)(=O)N2CCC(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 2174786688 MDKMFEOWGSWCKY-UHFFFAOYSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C(F)F 2174788395 FBEMCDWAFZBINZ-QWHCGFSZSA-N 402.423 1.732 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180117976 QRPNDVNOEWEWGZ-SUNYJGFJSA-N 402.488 1.278 30 10 HDEE COCC1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)CC1 2195307819 CWYZWNBANNFHDK-GFCCVEGCSA-N 404.529 1.928 30 10 HDEE C#CCN(C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CC1(F)F)[C@@H]1CCS(=O)(=O)C1 2196488457 CCGRTRSSIQXCLV-WBMJQRKESA-N 406.451 1.185 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)CC1(NC(=O)OC(C)(C)C)CCSCC1 2199863630 GAEZELWFRNJRCB-IBGZPJMESA-N 400.541 1.943 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CO1 2243429326 AUXZKTPOCUEGPL-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820295 OCPHSXCMOQARJX-BTTYYORXSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2247823074 LANKPCDYRWAQPB-KGLIPLIRSA-N 418.303 1.543 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247864860 MFZGGGPXYBHIDN-HXUWFJFHSA-N 424.303 1.584 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)n1 2247920760 CPJGTPADNPJJJD-UHFFFAOYSA-N 419.291 1.278 30 10 HDEE CC[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248053326 CRUHYMMTARIFBW-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258166023 OQUSFQZBZJQUEE-DLBZAZTESA-N 408.476 1.176 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258181493 OLSPXFXAKYBWRK-BBRMVZONSA-N 409.464 1.320 30 10 HDEE C=CCC1(C)CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258190021 OVVYYKMYICQHKV-MRXNPFEDSA-N 410.492 1.682 30 10 HDEE C[C@H](N)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267466308 YFDKHRVRUWAOFY-VIFPVBQESA-N 409.144 1.918 30 10 HDEE CC(C)[S@@](C)(=O)=NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471592 UWNOERHYIZVDLJ-XMMPIXPASA-N 408.376 1.778 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCS2)OC1(C)C 2267474100 OZTZOZOQDUBPRZ-NSHDSACASA-N 404.388 1.757 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@](C)(O)[C@H](O)C3)c2Cl)OC1(C)C 2281937137 WDVIFLYFXCZTPU-DIFFPNOSSA-N 401.721 1.659 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282028882 KPTKHILUDMNFCC-NEPJUHHUSA-N 401.359 1.941 30 10 HDEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282061943 RCWRQJQHNVJFMC-NSHDSACASA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@]2(C)CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282314759 DWZJJHKRZSAVIL-KRWDZBQOSA-N 400.375 1.634 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CC(F)(F)CO2)OC1(C)C 2282340533 HIHDVVQMLUSPLG-JTQLQIEISA-N 409.285 1.750 30 10 HDEE COC[C@](C)(CO)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282418955 RPKSVPFTWKWKFJ-INIZCTEOSA-N 405.347 1.065 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282489083 FMMFZOCRQONLEE-OLZOCXBDSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@]2(C)CO)OC1(C)C 2282506529 TZANKJSQNXNGSP-MRXNPFEDSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@](C)(CO)C2)OC1(C)C 2282845500 UOIMSJCYRFEPIY-SXUIPJSXSA-N 402.347 1.023 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)C1O 2282850363 OCLSQSGFCZTVME-VXGBXAGGSA-N 401.359 1.685 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCC[C@@H]2CO)OC1(C)C 2282857642 KVRPFXIBXWWVHK-QWHCGFSZSA-N 401.359 1.734 30 10 HDEE CC[C@H]1COCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866471 KCNUPOJDEZPFRX-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE C=C(CS(=O)(=O)N1[C@@H](C(=O)O)CS[C@H]1C(C)C)B1OC(C)(C)C(C)(C)O1 2284414566 IQTPGUAVJKXPFR-OLZOCXBDSA-N 405.347 1.988 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CC(=O)O)C2CCC2)OC1(C)C 2288226438 WPDAVEHLWVSIQJ-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CC1 2289603659 MLEHZEFORCIIEZ-CYBMUJFWSA-N 403.501 1.446 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2302855911 ATSRDPZDCFJWBX-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)c2cccnc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c1ccc(I)cc1)S(C)(=O)=O 2365211378 NQLKVEQZHWZSED-OLZOCXBDSA-N 407.273 1.479 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 2367789202 QWTAIJCJSKOPRR-MCIONIFRSA-N 406.495 1.951 30 10 HDEE C[C@@H]1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN1C(=O)OC(C)(C)C 2367830561 JUJHODCWRMHQRD-SPYBWZPUSA-N 400.541 1.435 30 10 HDEE O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)N/N=C/c2ccccc2F)c1 59500556 BLQIASVWGAIPKP-XDHOZWIPSA-N 408.411 1.883 30 10 HDEE Cc1ccc(Cn2c(NN=Cc3ccc(O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 254295411 OKNBXKMABKLTBR-UHFFFAOYSA-N 418.457 1.942 30 10 HDEE COc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254867863 MOCAGCLXZQXHKP-ZIAGYGMSSA-N 412.489 1.157 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccccc3)c3nc[nH]n3)CC2)o1 439421018 KFIALXSVCUUVAB-GOSISDBHSA-N 406.450 1.001 30 10 HDEE CCO[C@@H]1C[C@](NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)(C(=O)OC)C1(C)C 444764045 AKNIQLZOKDHJTM-FVJLSDCUSA-N 408.543 1.015 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 460929329 DPTCBZJDMARFKV-IRXDYDNUSA-N 409.556 1.956 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](c2ccccc2F)N2CCOCC2)CC1 463348144 FUYOBQRCCRCWEF-FQEVSTJZSA-N 409.465 1.814 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 466047463 ZKXOILVWFGGJNJ-NVXWUHKLSA-N 405.524 1.057 30 10 HDEE COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 466811220 FIYRBLPPSQNNQI-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCC1 477593576 RZHMALVJMGFCDX-UHFFFAOYSA-N 411.549 1.594 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cn2cc(Cl)ccc2n1 480421017 YDHHRTGPDGJSNF-LBPRGKRZSA-N 417.878 1.843 30 10 HDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 480929036 CREFUCUIJFABEI-ZDUSSCGKSA-N 418.540 1.887 30 10 HDEE CCOCCOC[C@@H](O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 484353320 SSJSMHKTVPZTEL-HNNXBMFYSA-N 407.858 1.933 30 10 HDEE CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1 488756160 AQXIMZUKESCVKS-UHFFFAOYSA-N 404.467 1.467 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 508811672 UBCZZPDSEVWUMA-UHFFFAOYSA-N 405.462 1.189 30 10 HDEE COc1ccc(OC(F)F)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c1 522167282 MRPMUUGWZOVEMM-UHFFFAOYSA-N 420.437 1.929 30 10 HDEE Cn1nnnc1SCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 523356885 HSHMCWZMYPDGAS-ZDUSSCGKSA-N 403.493 1.104 30 10 HDEE CC(C)CN(C(=O)CN(C[C@H](C)C#N)C1CC1)c1c(O)nc(=O)n(CC(C)C)c1N 533599492 SFRSWYMDKFYCBS-OAHLLOKOSA-N 418.542 1.800 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)c(OC)c1 535578175 BWELOGMQTJGIJM-GFCCVEGCSA-N 401.510 1.770 30 10 HDEE C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 546673098 SAGFGSKVFQFOBF-LLVKDONJSA-N 408.871 1.787 30 10 HDEE CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc21 546891020 XCSBHRJGUPKZCZ-UHFFFAOYSA-N 411.487 1.694 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CCC1 548441239 AZQDRMRAPOGLPY-UHFFFAOYSA-N 403.551 1.514 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 555305482 RFQINSXWQXSMRM-INIZCTEOSA-N 422.441 1.301 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC1 555454889 MEVXUNDSXWIBGO-KRWDZBQOSA-N 418.505 1.913 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609639904 RZBAFPXPSDZGHZ-HNNXBMFYSA-N 405.474 1.066 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCNC(=O)[C@H]2c2ccccc2F)cn1 613152529 YZUVTQDMVMKRMY-QGZVFWFLSA-N 405.393 1.983 30 10 HDEE Cc1ccc(NC(=O)CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1 619510175 WWMBTHWLYHENMJ-UHFFFAOYSA-N 406.490 1.481 30 10 HDEE CC1(C)OB(c2cc(OCC3CC3)cc(S(=O)(=O)N3CCNCC3)c2)OC1(C)C 725394395 CTILCNMDLRFSSU-UHFFFAOYSA-N 422.356 1.369 30 10 HDEE COC(=O)[C@@H]1CN2CCC[C@@H](C2)N1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725447316 IRVMFBSJYNNQJN-OALUTQOASA-N 400.328 1.807 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cccc(CC#N)c3)ncnc1-2 729458968 HTNCNKVXNZUYRV-UHFFFAOYSA-N 414.267 1.407 30 10 HDEE CSc1nc(O)c(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1C#N 733000447 CFYTZKZRJYHNSH-UHFFFAOYSA-N 420.463 1.375 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 747241667 XHVUHXUZINKMLW-DAXSKMNVSA-N 412.471 1.650 30 10 HDEE C[C@H](CC(=O)N1CCc2ccnc(O)c2C1)/N=C1/NS(=O)(=O)c2ccccc21 755501082 OGLATUPOASULBM-GFCCVEGCSA-N 400.460 1.189 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 760387175 AFQRSVVJBKHLOI-OAHLLOKOSA-N 419.503 1.968 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c1 764041434 WVVUTHSUEHERAG-CQSZACIVSA-N 422.488 1.597 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 767699871 OEEDVQKNGDGWIT-INIZCTEOSA-N 424.519 1.674 30 10 HDEE COCCCS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 769943314 OYBAFEGUDOIOBN-UHFFFAOYSA-N 401.916 1.726 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(Br)cc1F 772663432 ICDBHMDZCXSMSR-YPKPFQOOSA-N 418.244 1.393 30 10 HDEE C#CCN(C(=O)Nc1nnc(Cc2cccc(F)c2)s1)[C@H]1CCS(=O)(=O)C1 774038715 ZHUFUMJPTKWHAR-AWEZNQCLSA-N 408.480 1.922 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COC1CN(C(=O)OC(C)(C)C)C1 777319329 NFVNZUGIWVVFMQ-UHFFFAOYSA-N 409.464 1.308 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 782629687 QIFGYQOQMBCWGW-UHFFFAOYSA-N 420.263 1.382 30 10 HDEE COC(=O)c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 782810587 NKDFIUAOBXXGHN-LLVKDONJSA-N 402.432 1.324 30 10 HDEE N#CCOc1cccc(CC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 785636106 FXHQAAQEFZVXHB-UHFFFAOYSA-N 414.487 1.128 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1)c1cc[nH]n1 789944371 RJCOWRDKOXICPJ-CYBMUJFWSA-N 411.422 1.152 30 10 HDEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 792744345 AVSBNUUQYWVEPA-JKSUJKDBSA-N 404.540 1.314 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)c1 795104230 RLOXXUWCJZHCHE-GFCCVEGCSA-N 400.298 1.819 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1=S 795651284 KKNMHHBTPWQWPW-INIZCTEOSA-N 422.580 1.975 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)[C@@H]1CCS(=O)(=O)C1 800886450 ZEOPERLJLMXJSE-IUODEOHRSA-N 416.952 1.805 30 10 HDEE COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802515181 MOUWXWAJCDAAAG-IBGZPJMESA-N 410.522 1.895 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)nn1 811088926 VYCHHMOLKRNPDD-RTBURBONSA-N 408.418 1.587 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(C)cc1F 813654298 MSSWMVCVEKDZLA-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 916953879 WLRWUIMMIIAFSS-INIZCTEOSA-N 412.446 1.939 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3n(n2)CCCC3=O)c1 1125189169 PYUKRLDLBHCYSS-PYCFMQQDSA-N 415.475 1.925 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1I 1130627034 QLDAFKLISRZZLU-UHFFFAOYSA-N 403.220 1.442 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccnc1S(=O)(=O)C(F)(F)F 1130824446 LKURDQXKQWAVEB-UHFFFAOYSA-N 406.382 1.792 30 10 HDEE C[C@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@@H](C)O1 1134057066 ZPEJDQWMGVOECA-MNDZRTMASA-N 417.531 1.306 30 10 HDEE N#Cc1cn(CC(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)nc1O 1136195087 DWILEMUTCVMBBI-UHFFFAOYSA-N 410.430 1.220 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 1136630552 TYKFBYARZBTFKF-PXAZEXFGSA-N 407.879 1.994 30 10 HDEE C=C[C@@H](COC)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1138582747 KQPOTIDIBHXMOD-KBPBESRZSA-N 402.538 1.605 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1152213072 LXAXELHHRYTPLC-HXUWFJFHSA-N 417.469 1.895 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)c(F)cc3N)C[C@H]1CS(=O)(=O)C2 1156675909 PHFKFOPRIGMRSH-RTHLEPHNSA-N 402.245 1.181 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 1165488651 CASIVLKONFWYHC-DFEOGRTESA-N 402.520 1.776 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1cccc(F)c1 1166839363 MHSSOPNEWZKOQL-QGZVFWFLSA-N 417.462 1.854 30 10 HDEE CCOC(=O)CON=C(C(=O)N1Cc2cnn(C)c2CC(C)(C)C1)c1cc[nH]n1 1168528040 ZVHGHWXFNMEUJW-UHFFFAOYSA-N 402.455 1.038 30 10 HDEE CCCN(C(=O)[C@H](C)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 1171791783 PCWFAFSSZXJWQN-ZYSHUDEJSA-N 407.536 1.338 30 10 HDEE C#CCC1(NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CCOCC1 1178169110 JEVIIVPRXYUDGI-UHFFFAOYSA-N 405.499 1.885 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)s1 1179389970 YIDFAKVXJIEQGS-AWEZNQCLSA-N 424.548 1.928 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC#C[C@@H]2CCCCO2)C1=O 1180363340 UDQZFKDVXZAOCK-DLBZAZTESA-N 407.511 1.438 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C(C)(C)C1=O 1187997223 GYHBBXMKWVEPJW-UHFFFAOYSA-N 404.261 1.701 30 10 HDEE COC(=O)c1oc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1225939207 WWNRZHHYODGUTJ-OCCSQVGLSA-N 406.439 1.933 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1228822251 XZDMIDOWSGJHHE-KKUMJFAQSA-N 417.514 1.870 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)c(F)c1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 1251504495 GHGCHXOGJAVVFS-YOEHRIQHSA-N 422.457 1.620 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n1 1271205165 ZCYAQWCFSNXPDD-QGZVFWFLSA-N 407.474 1.876 30 10 HDEE N#Cc1c(NC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)ncc2c1COCC2 1276481892 STPLNMRMIJRBCQ-LBPRGKRZSA-N 418.500 1.566 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286393028 JVKUKCIFXFHVHW-OALUTQOASA-N 414.531 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC 1286432071 WWHBCPXWYBPXLJ-QZTJIDSGSA-N 405.568 1.373 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1286466959 MKPIFAXENBPQGH-UHFFFAOYSA-N 410.522 1.275 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1286477181 QSNFUBRFGWHEFR-QFIPXVFZSA-N 423.521 1.551 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1286481385 UYCBFQWAAJWNGC-SFHVURJKSA-N 413.497 1.871 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2cn[nH]c2)CC1 1286495240 XQWUDJMSSOPKHQ-UHFFFAOYSA-N 409.538 1.942 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1286582479 YYSSMDAXEXKCAO-OAHLLOKOSA-N 415.560 1.174 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286712218 UNXHDQCIXVEAMI-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286781871 CUUAJYMMWCMLDW-ZWKOTPCHSA-N 419.489 1.366 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286782963 JDPUHODIUSSHSW-AWEZNQCLSA-N 416.913 1.993 30 10 HDEE CC(C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287141583 YDKAICONWOXABJ-FUHWJXTLSA-N 415.542 1.121 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1288193429 IEIOMAVASCMRMV-QGZVFWFLSA-N 423.521 1.823 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 1293082559 MIMTVRWXLHOULH-QGZVFWFLSA-N 408.543 1.306 30 10 HDEE CN(C)C1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCCC1 1298049387 BPBFDNUDZMPGFN-UHFFFAOYSA-N 423.521 1.539 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 1300019406 WZZBASLOFBVWBR-INIZCTEOSA-N 402.476 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN(C)C)cc1 1300322382 RHUNKDPLEMXYTO-SFHVURJKSA-N 424.549 1.847 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(=C)C 1300527383 GRFJHDNIAPMGAQ-UHFFFAOYSA-N 416.485 1.858 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ncn(-c2ccccc2)n1 1300671442 ITSPAUXHFCHYFJ-KRWDZBQOSA-N 407.478 1.497 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1301196951 BNMCEFFDXKPBDN-UHFFFAOYSA-N 408.510 1.976 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCOC[C@@H](C2CCC2)C1 1301596278 KEYLHOXMLWXRLA-ZWKOTPCHSA-N 424.567 1.983 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)C1 1303556413 GQDUMWZZJUXYSN-MRXNPFEDSA-N 407.536 1.553 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1303898981 LAOGGOFMYYBBNQ-QGZVFWFLSA-N 413.503 1.643 30 10 HDEE COc1cc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)[nH]c2c(OC)c1OC 1304002735 WLYMASLFQOMREG-BUXKBTBVSA-N 419.459 1.204 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@@H]1CCO 1308094897 SUSSPENNKKNRNG-CABCVRRESA-N 411.549 1.501 30 10 HDEE C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099290 FGPOXNUCJCBSAN-IIMJZQEZSA-N 401.488 1.822 30 10 HDEE C[C@@]1(C#N)CN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 1308115434 XWAHMFHKNJHXCM-LJQANCHMSA-N 406.508 1.414 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1316538795 MBDWNALYSWCBLF-BBWFWOEESA-N 403.870 1.867 30 10 HDEE COc1ccc([C@@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)NC(C)=O)cc1 1349457178 PHBMZHQOUBFTOV-QGZVFWFLSA-N 412.450 1.333 30 10 HDEE CC(C)[C@H](NC=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1355062849 WUHAJJKZGYLSTE-LSOGNMMWSA-N 408.524 1.989 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358938824 KFEDUNOXHXDULX-IXDOHACOSA-N 410.588 1.326 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358963446 IFBWLYSEOWXWRA-AWEZNQCLSA-N 421.489 1.351 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC(C)(C)O)CC1 1359044496 HNCQDKHJHMGKKN-KRWDZBQOSA-N 403.527 1.299 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359122864 CXYKRHBXSZKVCG-SFHVURJKSA-N 416.551 1.844 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1448578287 SWDZXRIUTHELJX-BBWFWOEESA-N 409.527 1.847 30 10 HDEE C[C@H](CN1CCOCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1448791616 FJKQOACOCJHINV-KYMGHPBBSA-N 420.554 1.952 30 10 HDEE COC(=O)c1ccc2c(n1)CN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CC2 1463361458 WIMDZXVUKBPPQW-INIZCTEOSA-N 404.426 1.678 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1463730239 PAPHNDIUXVSOLB-IAGOWNOFSA-N 400.541 1.985 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1464296863 FHDMTUIRGUXFTK-UHFFFAOYSA-N 414.574 1.601 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1464300155 IXIUYDCIYHSONH-UHFFFAOYSA-N 400.547 1.210 30 10 HDEE C=CCOC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1467516711 VKOTUJURCHFRBH-WZHMAMEKSA-N 421.494 1.634 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C#N)CO 1468042903 GMVDVVHQNOJVOX-DOTOQJQBSA-N 407.517 1.240 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 1470863381 BROKFLINNLKSKD-SFTDATJTSA-N 410.518 1.548 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(CN4CCNC4=O)cc3)cc2)c1N 1471187537 ZRRDQGZNVYQJSV-UHFFFAOYSA-N 415.457 1.781 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1471524708 CGMVTUIWAWBRKC-ATZCPNFKSA-N 411.245 1.472 30 10 HDEE CN1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@@H](c2cnn(C)c2)C1 1471984292 SYSUGVVPKUALOA-HSALFYBXSA-N 407.522 1.825 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3cn(C)nn3)C2)ccc1F 1472328023 JVPVEGGGQKOYTK-CQSZACIVSA-N 407.471 1.438 30 10 HDEE C[C@@H](CC(=O)N(C)C[C@]12CCC[C@H]1OCC2)/N=C1/NS(=O)(=O)c2ccccc21 1472407301 VRUHRRLCHJBDRM-JNAXZKDPSA-N 405.520 1.921 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C)[C@H](O)C3)nnc12 1472537745 FXXVWNHLLPQPCQ-XJKSGUPXSA-N 413.503 1.552 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1473627688 NFCHLWBPOSCGNC-QGZVFWFLSA-N 409.527 1.947 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C[C@@H]12 1473651331 RFZXSAYKOSFTHR-RUGDWHBFSA-N 409.483 1.205 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 1478734222 AQLGZYHCCYVOBE-KRWDZBQOSA-N 406.552 1.884 30 10 HDEE CCO[C@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1502695074 ISDPHXCVWAHPIK-UAMJFUFUSA-N 416.482 1.057 30 10 HDEE COCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1504790250 ZZVQOGJSYFLOSI-YJBOKZPZSA-N 412.560 1.835 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCOc2ncccc2F)c1 1505313621 BLPONKHCGNADGB-INIZCTEOSA-N 421.436 1.741 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507572045 WBYKMUKBTFQZLK-MDKPJZGXSA-N 401.511 1.522 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1507601314 OWJYYQFQDOJDNG-OAHLLOKOSA-N 413.507 1.192 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1507605599 UBSMYULCYISWCK-UHFFFAOYSA-N 401.559 1.001 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N1CCOCC1 1507621247 RJRNGNIGHXWDNV-HXUWFJFHSA-N 422.533 1.543 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F 1507642797 MTAWWWUISXDDHV-ZDUSSCGKSA-N 423.901 1.802 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1507673680 YWSRMCLBOZQNRG-GOSISDBHSA-N 402.458 1.470 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507846303 HSXHPYJJZARRHC-FQEVSTJZSA-N 416.551 1.943 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507850553 NUGKNIPSKNOAKR-GDBMZVCRSA-N 408.934 1.424 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1507874174 QTZHZUUREVSSTJ-IBGZPJMESA-N 413.950 1.840 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507961525 AWFBYWMGXWUFGV-DOTOQJQBSA-N 416.526 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508140292 HQBAWFHPKADZIC-LJQANCHMSA-N 407.540 1.395 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1511991255 YBUMQICBUKGTNV-MJBXVCDLSA-N 406.512 1.884 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1513869739 CZRBDZWGNJASOG-UHFFFAOYSA-N 416.507 1.343 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1516961632 CEBIJVFVGANAEY-OAQYLSRUSA-N 407.478 1.154 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1517410102 PESNVBJYZJZXEZ-PMACEKPBSA-N 416.432 1.916 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1518652756 ZTVVZCUOBHMIGZ-UHFFFAOYSA-N 406.446 1.753 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1519698613 XKBMNWSJIJSOPN-IBGZPJMESA-N 407.492 1.239 30 10 HDEE CCNC(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 1520077644 HUPSTDCGDXWORZ-CQSZACIVSA-N 402.882 1.987 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 1527941917 XOUXOBOHNNOTSK-UHFFFAOYSA-N 417.491 1.106 30 10 HDEE CCc1ccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1532112948 ICMQOCQMIQJRPM-HNNXBMFYSA-N 408.462 1.672 30 10 HDEE C#CCOc1ccc(CNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)cc1 1533420605 XVCOYHLAQJIOLT-UHFFFAOYSA-N 410.474 1.588 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCn2cnnn2)cc1 1534462354 ZNXVLSQZRSRCTR-SILNSSARSA-N 405.484 1.295 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C1 1535222019 GLOAPLHDSYGAKZ-HOTGVXAUSA-N 410.515 1.669 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1538971060 FJLCEVNBBJOTPH-JKSUJKDBSA-N 405.524 1.734 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCCN(CC)S(C)(=O)=O 1539004456 TWCFLDLLMJEEIL-INIZCTEOSA-N 404.540 1.778 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1539145061 CKSLUFYCHIXITB-IBGZPJMESA-N 410.522 1.101 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1539148027 MNHCCAFUAGILIB-JTSKRJEESA-N 413.522 1.953 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1539178221 FQRPIQUJGCEAGI-CHWSQXEVSA-N 409.537 1.462 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1539230022 BAUPASFPPUOZEM-LSDHHAIUSA-N 412.581 1.898 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1539377794 VSMWADXZZYRLSH-SFHVURJKSA-N 420.517 1.913 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1539417623 NWDSFENETDVMPN-UHFFFAOYSA-N 411.554 1.512 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N(C)CC)CC1 1539477669 VJOVVJQFLRLXIT-UHFFFAOYSA-N 423.521 1.093 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540036887 WHHCQRREAXKAAI-NQIIRXRSSA-N 405.543 1.676 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1540905106 SLOMNHQROBVKIX-QGZVFWFLSA-N 424.527 1.677 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CC2)cc1 1544462310 ATIGGLCWHAFPQO-HEHNFIMWSA-N 406.508 1.303 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCc4nncn4CC3)c(C#N)c2N)cc1 1545163810 PZACTMWENAJHEK-MRXNPFEDSA-N 418.505 1.928 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)C1 1555984928 DVIXSWNIYHHMSG-GOSISDBHSA-N 422.486 1.563 30 10 HDEE C=CCCn1cc(C(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)nn1 1556512534 IGWVPOOSAJQSRP-OAHLLOKOSA-N 407.471 1.479 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)s1 1558036667 XHRFLZOUFDUMKG-INIZCTEOSA-N 401.513 1.910 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)CCOCC1 1561937994 DYYGYGUOLURGGM-UHFFFAOYSA-N 418.512 1.828 30 10 HDEE C=CCOCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1563967502 NQUBFERGJJMLKD-KRWDZBQOSA-N 404.515 1.174 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)C1 1565346209 JWHQENOMXSQRDM-HXUWFJFHSA-N 412.534 1.634 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1566302688 GNGWDSSEALFBHX-UHFFFAOYSA-N 419.482 1.459 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cncn1 1587580960 TYKQRNBXGPSINB-AWEZNQCLSA-N 411.466 1.721 30 10 HDEE COCCOC1(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 1587725548 ZGBHVTFYYLBVRM-UHFFFAOYSA-N 406.483 1.400 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1587808441 RKSMPPAELTUWGW-IRXDYDNUSA-N 412.556 1.819 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCc1ccco1 1588459016 KLLIDESBSIRGIW-YJBOKZPZSA-N 401.467 1.371 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)s1 1595269863 FJKCMXHHAMGYQF-JQWIXIFHSA-N 412.455 1.981 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CC(OCC)C2)C1 1595737675 GDICGWYXPBYOSC-PGFLUOATSA-N 413.522 1.975 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1595930161 CGDZUOATTGAJNB-IAGOWNOFSA-N 422.526 1.860 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1596486911 DDPLOVZUMBPUCZ-IBGZPJMESA-N 400.447 1.540 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(I)cc([N+](=O)[O-])c2)nn1 1598181051 AWRJSZLWOCGYHJ-UHFFFAOYSA-N 413.175 1.907 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1608351146 ABNRBKHCLRWFKM-HNNXBMFYSA-N 408.528 1.124 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2([S@](C)=O)CC2)CCOC1 1610334884 FYFGRFHOBYTBBQ-AMRNQMKZSA-N 409.556 1.968 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cc(C)n(CC)c(=O)c23)cc1 1611480998 CDHQACHQMFXBIA-UHFFFAOYSA-N 413.459 1.217 30 10 HDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)n[nH]1 1612424217 DKZZARPXZQEEJV-KDOFPFPSSA-N 422.493 1.605 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1613558534 FJOLMZLDGNMQTA-HXUWFJFHSA-N 419.505 1.684 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[S@](=O)C(C)(C)C 1613987742 YSOGBZJBGUNCQP-NDEPHWFRSA-N 402.524 1.923 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2nccc(Cl)c2Cl)c1=O 1614784039 KGXXIUNDNULOKK-UHFFFAOYSA-N 411.245 1.973 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](CC#N)C(F)(F)F)C1=O 1616998168 MTFSDXPEJLWLDC-SUMWQHHRSA-N 412.368 1.731 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1617043470 RNBDWCJYOVBHLU-ZDUSSCGKSA-N 401.492 1.599 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCCOC2)C1 1620165804 XLPDCIOZRDEASE-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1620356732 HBIKXSGAFBGHAC-SOUVJXGZSA-N 414.432 1.743 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 1622241876 XFIGNSGBENIIRE-OAQYLSRUSA-N 413.499 1.420 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)c1 1622259361 CTEOLQQYFMZVNV-UMSPYCQHSA-N 400.298 1.891 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1623624967 NGGNIZRDHPQXOK-UHFFFAOYSA-N 403.460 1.622 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c1 1625764770 SEIQUCHCQCTYCA-UHFFFAOYSA-N 422.459 1.553 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2CN([C@H]3CCOC3)C2)nc1C 1627229996 ATXWYOAHZCEEPY-LBPRGKRZSA-N 406.537 1.844 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188200 OWBIODKNNKTKRZ-OXJNMPFZSA-N 400.435 1.027 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1634254975 IVGZGVCGDWQQGU-UHFFFAOYSA-N 409.471 1.310 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1635029318 CCZMSQCBPNIDDC-LQZXRHCMSA-N 408.499 1.873 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1638046258 DDIUHKXHLYIGJO-UKRRQHHQSA-N 409.895 1.600 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)cc1 1640760169 AYEOKQXQSXVCGC-UHFFFAOYSA-N 409.471 1.287 30 10 HDEE C#CCOc1ccc(CNC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)cc1 1640953068 CDVURSHFBCLFRT-UHFFFAOYSA-N 407.426 1.893 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncc(C#N)c4ccsc34)CC2)C[C@@H](C)O1 1642059723 WLYHRSPGIHPACD-ZIAGYGMSSA-N 421.548 1.644 30 10 HDEE C#CCN1CCC(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1644948194 NZUHLCSJIIMHMS-UHFFFAOYSA-N 417.575 1.838 30 10 HDEE Cn1cc([C@@H]2CSCCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1645652534 MEIGNCCQVCQHFS-SFHVURJKSA-N 418.544 1.913 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)c(C)n2)CC12CN(C(=O)OC(C)(C)C)C2 1647760652 AFSDGRBXFKBCGL-OAHLLOKOSA-N 414.462 1.744 30 10 HDEE C[C@]1(c2cccc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)c2)NC(=O)NC1=O 1648719297 KENAZGQELRDKQZ-FGZHOGPDSA-N 403.442 1.834 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1655743975 NZYZYLVOHJXHBK-ZNMIVQPWSA-N 410.565 1.733 30 10 HDEE Cc1nn(C)c(N2CCN(C[C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1658895237 GXIAZDGBXZAVBY-OAHLLOKOSA-N 401.536 1.929 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1662927466 HQBNVYFERDVWBS-SNVBAGLBSA-N 421.269 1.727 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccccc1 1670383852 SURBHBXTVVNCEU-LJQANCHMSA-N 414.483 1.948 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1671445758 AAPOFJAPTVXGPE-AWEZNQCLSA-N 410.316 1.492 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)C1 1671459417 QSGVNNYGAGYOFX-INIZCTEOSA-N 411.593 1.829 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)nc1 1673350933 GIJQOPNNTDGIHW-UHFFFAOYSA-N 406.490 1.650 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1673798961 CYNBTKNZBPKKEN-RDJZCZTQSA-N 403.479 1.762 30 10 HDEE C=CC[C@H]1CCCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1677128894 YAOCMDFGRJYEOO-LBPRGKRZSA-N 422.331 1.909 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)Nc3cccc(CC#N)c3)C2)cc1 1677653797 AHYOZCPEQMRZNJ-UHFFFAOYSA-N 400.460 1.956 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 1682652788 IDNNWJVARLAEMX-RBVVOMGSSA-N 410.446 1.618 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)n(C)c1C 1684857330 WNCCVBGIEPOEDI-UHFFFAOYSA-N 416.507 1.789 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nnn(C)n1 1689963979 BXOPDSICFATXOL-UHFFFAOYSA-N 415.502 1.034 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689980357 QDYBAMYKAFXTNB-ZBFHGGJFSA-N 406.483 1.820 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1690019700 PJEPMXMCLQCYHE-OAHLLOKOSA-N 415.519 1.587 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1690099862 OFUPPCDIXKUFJK-SFHVURJKSA-N 421.505 1.827 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCOCC1 1690202854 HSOCNBOPGRYHEO-OXJNMPFZSA-N 401.511 1.665 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1690514907 AFXHGDPYJSJJTJ-OAHLLOKOSA-N 420.539 1.249 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(CCOC)CC1 1690666762 FYBVWOSXANMRAZ-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1691001179 DRMXSKQJHDMOKX-GJZGRUSLSA-N 411.514 1.386 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C[C@H](C)C#N 1691005797 FLTDFQQGAZZHTF-OAHLLOKOSA-N 422.530 1.932 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1692851207 BZIUQMVPOPBLQP-HNAYVOBHSA-N 417.539 1.685 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1695339862 AMXHYMKHMYRAKZ-UHFFFAOYSA-N 423.521 1.208 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705560978 PFGNWLQIEFKKHI-KRWDZBQOSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1705566926 RRRNGCOUZPIHFA-CABCVRRESA-N 418.548 1.257 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2ccnc2C)CC1 1705642542 XGOZAJPIJPYSMD-UHFFFAOYSA-N 407.526 1.100 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N[C@@H](C)CC 1705668924 XCIAXHFKAXLSHG-YZVOILCLSA-N 424.571 1.185 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CC(=O)N1CCOCC1 1705676432 BCYXGRBRYRYPEK-HSZRJFAPSA-N 423.517 1.751 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1706751747 TWJSYVMEOMNEOF-ORAYPTAESA-N 415.523 1.486 30 10 HDEE CC[C@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1709221568 GKXBGMBAZGPSCH-YOEHRIQHSA-N 402.524 1.991 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1711319920 FTCWSYOOANHVSB-NRFANRHFSA-N 405.462 1.739 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1722278220 CJJHACNGCXMOQI-AUUYWEPGSA-N 420.560 1.675 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1cnn(CCOC)c1 1722383102 HQUZTVNOMIRDCK-UHFFFAOYSA-N 406.465 1.972 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCN1CCOC(C)(C)C1 1722399500 POOBOAWIXLGGSJ-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1722411796 PWXQLADBSJHIPW-UZLBHIALSA-N 408.568 1.971 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1722414329 ZIGBNYSTBVNOEQ-ZDUSSCGKSA-N 423.461 1.413 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1722437973 XQFUVMQKSGNIPD-WWMYMODYSA-N 400.527 1.332 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C)C(=O)[C@@H]1C 1722460913 MUEULONWXHUHGS-INIZCTEOSA-N 413.547 1.911 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccc[nH]3)nnc2N(CCC#N)CC2CC2)C1 1731009663 BURMMOWMXRAYJN-INIZCTEOSA-N 417.539 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1740536299 CVEJWAGRAUWENU-YVEFUNNKSA-N 407.316 1.560 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1740540415 ZJWIDLPLRFABKF-PGRDOPGGSA-N 419.570 1.623 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nc(C(F)(F)F)cs1)[C@H]1CCS(=O)(=O)C1 1740616927 IZUAHOFGVQWCHR-NSHDSACASA-N 419.454 1.737 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@H]1OC 1740644297 AHLWWFKOFZHFOW-OKYOBFRVSA-N 402.495 1.126 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1NC(=O)CC1(C)C 1740649483 VGAKXTYDYOHJRN-SJORKVTESA-N 401.511 1.380 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1740682796 JQEYAHKODKLLGU-UHFFFAOYSA-N 410.522 1.195 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(F)cc(F)c2)CC1 1740694940 XYYHZDNQWMSIBR-SFHVURJKSA-N 414.460 1.505 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1740958638 RZZWIKYIOWZDNW-QGZVFWFLSA-N 420.558 1.369 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CC=CCC1 1747186083 GIQSQEMBVXPDHD-UHFFFAOYSA-N 422.537 1.670 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2COCCO2)cc1OC 1748669122 AVBWJCJKCNNRHH-JKSUJKDBSA-N 415.450 1.106 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748756711 SLDUPVMWEINIMR-UHFFFAOYSA-N 424.480 1.942 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1748764464 PHPKFAVSNSBUND-SJLPKXTDSA-N 411.510 1.941 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCc1ccn(C)n1 1748858237 NJNUELFXTCPFAG-HXUWFJFHSA-N 402.458 1.840 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1748888586 YVZRQDUXDDDPCA-OXJNMPFZSA-N 400.552 1.129 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)N(C)C)CC1 1748986474 ALNGWJVLPCSDTH-MRXNPFEDSA-N 420.521 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(=C)Br)CC1 1749019027 IKJUWFFNNQDBLW-UHFFFAOYSA-N 410.316 1.689 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749039638 XWCDYFRETGMWKQ-IAGOWNOFSA-N 403.552 1.740 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCS(C)(=O)=O 1749075170 AZKRSCANZNRDKP-AWEZNQCLSA-N 407.496 1.506 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749401699 CLFCICYZPJNOLK-DLBZAZTESA-N 421.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749671514 CZDNLBCQJJQYHE-KRWDZBQOSA-N 412.469 1.121 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](COC)C1 1749677226 SAXGVVAFMBKPEN-SFHVURJKSA-N 424.505 1.435 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1-c1cnn(C)c1 1749682177 PDCPSPVKUQDLMU-CYBMUJFWSA-N 403.397 1.501 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCC1 1750390133 FYXUDPCPDHUYRT-MRXNPFEDSA-N 407.540 1.615 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1752528128 CZZVDTALRLUIAU-FQEVSTJZSA-N 406.450 1.431 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1760151770 NPKWOQVXSYZWPK-UHFFFAOYSA-N 416.489 1.574 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180651 IVQNRQMLWKUAEH-FUHWJXTLSA-N 424.567 1.819 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760187135 ICLDMKBISOVPCI-DLBZAZTESA-N 408.524 1.001 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1 1760217776 MCTUAUSTVCXHIH-FQEVSTJZSA-N 421.501 1.918 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cn(C2COC2)nn1 1760221325 RONXHRMTROWHSQ-UHFFFAOYSA-N 422.518 1.308 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1760233308 KJWRLVKEXQBLHC-KSSFIOAISA-N 408.549 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCC2)CC1 1760259696 OYGOAZRCXMGFHZ-QGZVFWFLSA-N 405.568 1.516 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1 1760324298 JLTNRAOKVDCSPL-APWZRJJASA-N 416.526 1.083 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1760495558 RFMUMORZRVOZRB-DLBZAZTESA-N 405.568 1.843 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CC)C(=O)C1 1760518986 NZEMSSPBLSXIQO-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncc(CC)s1 1760522695 AZPKRPDLROSSQL-UHFFFAOYSA-N 400.512 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 1760554423 DGZOZYGBEANPHU-OKZBNKHCSA-N 407.584 1.752 30 10 HDEE CCc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764805859 MIVDVNCUKWNNMW-NHKNDPDJSA-N 414.510 1.762 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)C1 1770110086 KIQBCKWGGBIKQC-LJQANCHMSA-N 407.478 1.840 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCN(C(C)=O)C1 1770177893 VCGVOHKBEQLKOC-NQYYFHDYSA-N 418.542 1.856 30 10 HDEE CON(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1771321338 XSAMZESIWVBQFT-ISLYRVAYSA-N 416.413 1.520 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)CC1 1771533880 CHGITASDEUVZPP-UHFFFAOYSA-N 407.478 1.401 30 10 HDEE N#Cc1cccnc1N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCO3)CC1 1849566989 QMWSGJOGJYIXKH-UHFFFAOYSA-N 400.460 1.877 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)c1cn3cc(I)ccc3n1)CC2 1852820299 SWONYAVVHYXUNF-UHFFFAOYSA-N 418.198 1.732 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2[nH][nH]c3cccc(I)c23)CC1=O 1853012085 XFPJRDRUXBAUQM-SECBINFHSA-N 410.215 1.562 30 10 HDEE CCS(=O)(=O)N1CCCC[C@H]1CNC(=O)c1cn2cc(C#N)cc(Cl)c2n1 1853203452 WFWRLYPEZZRPBA-ZDUSSCGKSA-N 409.899 1.793 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854462381 PQLHBAMASFOVAU-OAHLLOKOSA-N 405.476 1.265 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n(C)n1 1854953853 NCKIMSGZRZBYMQ-QGZVFWFLSA-N 408.462 1.280 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855110359 ODFHVOBDNCAFJI-SJORKVTESA-N 402.495 1.608 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCCN(C(=O)Cn3nnc4ccccc43)C1=O)CC2 1855369252 GVXFRRUSGTWVPG-APWZRJJASA-N 406.490 1.965 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(Cc3noc(C4CCOCC4)n3)CC2)CC1=O 1855469715 FSRYVLPSMBGUQY-INIZCTEOSA-N 401.467 1.464 30 10 HDEE COc1ccc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)c(OC)c1OC 1855860176 JWUBPOITJRXWHT-HNNXBMFYSA-N 401.463 1.937 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C(=O)[C@@H]1C 1856263166 TXNWEYIZUOFYNU-KBPBESRZSA-N 418.444 1.788 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3cccc(Cl)n3)C2)C1 1856410880 RZDQBKZBSURFJL-ZDUSSCGKSA-N 411.849 1.754 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(CC)cc3)C2)CC1=O 1856792756 WNKWRLZCSSVKFM-HZPDHXFCSA-N 408.476 1.131 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2c(C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857069208 VTHFMUMDTRYXOF-FUHWJXTLSA-N 402.495 1.318 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CC(c4nnc5ccccn45)C3)C2=O)cc1C#N 1857150058 NWXHINRCXOUJTF-GOSISDBHSA-N 400.442 1.750 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860960706 XBGNSMIFSVMIKR-INIZCTEOSA-N 407.430 1.212 30 10 HDEE C[C@H](NC(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O)c1ccccc1 1870102867 PJGCTNJIWYHUMJ-HNNXBMFYSA-N 413.441 1.785 30 10 HDEE CC(C)(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)CC1=O 1870109558 YFANPFJHUBQUML-ZDUSSCGKSA-N 411.422 1.692 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCCO)cn1CCCN1CCOCC1 1870360241 FSFZSXWISJCJHF-UHFFFAOYSA-N 405.539 1.506 30 10 HDEE C=CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870386659 YOBLFIVBQJMYKZ-IBGZPJMESA-N 411.506 1.704 30 10 HDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCC(CO)CC1 1870514983 KXQFZTCNDDKHOM-UHFFFAOYSA-N 405.539 1.876 30 10 HDEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870692088 AVXBXTXCRSJXNP-UHFFFAOYSA-N 400.475 1.971 30 10 HDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)nc1C 1872797755 TUMPHVSKAOCZJZ-CQSZACIVSA-N 414.491 1.417 30 10 HDEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N3CCN(CCO)CC3)ncnc21 1873594748 AHYARYWFEFGSHY-UHFFFAOYSA-N 421.505 1.057 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1 1874432599 NXCUSVDYPBYGHE-UFFVCSGVSA-N 404.496 1.423 30 10 HDEE Cc1scc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 1902859707 HDLSXQMRYYBVOB-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1995958509 WAQDCELYWCLLFK-ZBFHGGJFSA-N 422.331 1.896 30 10 HDEE CC1(C)OB(C2=CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)OC1(C)C 2148815378 FYUYAOFISNFRBD-UHFFFAOYSA-N 405.347 1.157 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(F)c(F)c2)[C@@H](C#N)C1 2162921959 RTAUACNEQRRUQV-JTQLQIEISA-N 402.423 1.681 30 10 HDEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)S(=O)(=O)CS(C)(=O)=O 2186589990 HJCMMUVYLWPHSR-LLVKDONJSA-N 423.387 1.372 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)CC12CC(C#N)(CO1)C2 2195258840 GQLPAZANTJMPJA-OSSATUEASA-N 402.469 1.230 30 10 HDEE C=C(CO)CCNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196906129 ZWOXGZRLNFAHOH-UHFFFAOYSA-N 411.217 1.206 30 10 HDEE CC1(C)OB(c2cc(F)ccc2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247767975 JCJVTVBVTKGLPQ-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE C[C@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247917938 MOXLXTIZHIMNMX-GXTWGEPZSA-N 420.319 1.837 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C)Cc1ccccc1 2247920276 WWKKFIOEMCHMPK-UHFFFAOYSA-N 412.343 1.890 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248414817 PVOMKQGVSPXVRZ-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250003272 WBTAXAGBXQHBRK-OAQYLSRUSA-N 422.331 1.890 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2255950833 VDBRWPQKMKJZAZ-CYBMUJFWSA-N 415.342 1.621 30 10 HDEE CS[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707593 UEIITEDSEDPXRO-CMPLNLGQSA-N 404.388 1.756 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCN=S(C)(C)=O)OC1(C)C 2267719589 HBASIMNPAOEJKZ-UHFFFAOYSA-N 408.376 1.053 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3C[C@H]3N)c(Cl)c2)OC1(C)C 2267725105 TUTQBCSKZMFBEX-NEPJUHHUSA-N 407.128 1.671 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(O)CSC1 2267762273 FVTNYLKDVQRTFY-UHFFFAOYSA-N 405.372 1.112 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282032546 HMMHKDBUZJHHES-NSHDSACASA-N 402.347 1.338 30 10 HDEE COC(=O)C1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282304449 KPFMQQNJLSFMAX-UHFFFAOYSA-N 401.315 1.149 30 10 HDEE CCNC(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282315883 USTQKKDRIBYFGJ-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE C[C@@H]1C[C@@H](O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332767 GMUDOIWPQRBOTM-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)NC3CCC4(CC3)OCCO4)c2)OC1(C)C 2282336800 HEEHUFRJOUNFQW-UHFFFAOYSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(F)CCNCC3)s2)OC1(C)C 2282337396 LBADTQMQSCUGMA-UHFFFAOYSA-N 404.338 1.417 30 10 HDEE CCC[C@@H](COC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503410 ZQSGBTFJRXKELJ-LBPRGKRZSA-N 404.363 1.677 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282521962 DRIAEVAWZOYNLM-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CO[C@H](CN)C3)c2Cl)OC1(C)C 2282638917 UAABEQBBTDXSBQ-MNOVXSKESA-N 400.737 1.794 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCC(=O)NC3)cc2Cl)OC1(C)C 2282845595 WEBKVCRARXHROO-VIFPVBQESA-N 420.749 1.258 30 10 HDEE CC(C)(O)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284469633 ZDEXSFLWXGDORH-JTQLQIEISA-N 403.693 1.655 30 10 HDEE COC(=O)C=C1SC(C(=NNc2ccccc2OC)C(=O)N2CCCC2)=NC1=O 2297507830 UYCMWWMBGLSELB-UHFFFAOYSA-N 416.459 1.814 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CS(=O)(=O)[C@@H]4C3)sc2Cl)OC1(C)C 2361658856 PGGPHJACQZNWKB-JOYOIKCWSA-N 417.745 1.570 30 10 HDEE Cc1ccc([C@@H](C#CC(C)(C)S(C)(=O)=O)NN)cc1I 2365195265 AFGQTNKNSAQIBN-CYBMUJFWSA-N 406.289 1.931 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365213534 VELJFBSTNBYUBO-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367814691 BTZDQFALZGQJMM-QAPCUYQASA-N 400.541 1.292 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C 4533902 AWIJCYLMKAQLHO-ZCNNSNEGSA-N 403.523 1.604 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 25302403 CPWIYPJLFSNVRH-HNNXBMFYSA-N 402.322 1.653 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 44828431 RKGQAMXZJGEKSG-INIZCTEOSA-N 408.861 1.031 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)cc1 90743820 KRDXDRLRPBMEKV-QGZVFWFLSA-N 405.454 1.645 30 10 HDEE Cc1cccc(N/C(N)=N/CCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 303877815 FQUNGPBQAZURSO-UHFFFAOYSA-N 402.524 1.269 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 434788554 WZJMREHYESYCEP-ORAYPTAESA-N 401.492 1.551 30 10 HDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 435103070 KSZCFLDDQMFEKY-UHFFFAOYSA-N 410.478 1.601 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)C1=O 439451534 MLWZTNJNDXXFBD-CYBMUJFWSA-N 421.450 1.750 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)ccc1Oc1ccccc1 442270992 IAISTRBZBYIDMT-SFHVURJKSA-N 422.441 1.389 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)NCc3ccc(C#N)c(OC)c3)C2)nc1 460886405 VYSGTICFDXJSST-UHFFFAOYSA-N 409.446 1.827 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)n(C)n1 462091513 ZPTZBFAFJWWGLC-HNNXBMFYSA-N 405.422 1.108 30 10 HDEE CCOC(=O)CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCC1 467197195 NRPIDCZRWLLTKM-KRWDZBQOSA-N 404.536 1.875 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 480301172 PGYRCXPORJMJRY-CYBMUJFWSA-N 420.470 1.771 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(N3CCOCC3)n2)CCN1Cc1ccccc1 483549362 ZEWCYDYBRDRKML-OAQYLSRUSA-N 420.517 1.838 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(O)[C@@H]2[C@@H]3[C@H]4[C@H]5C[C@@H]3[C@H]1[C@@H]5C[C@H]42 487372534 UKTSOABWKMBBCK-KNURTDHJSA-N 401.444 1.254 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cc(C#N)ccn3)cc2)CC1 497124036 FACLICXVGADXAX-UHFFFAOYSA-N 421.501 1.469 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 501133184 JGGUFNHOBRNZMX-HXUWFJFHSA-N 418.563 1.102 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508497846 NSPHIFVPHRVTIC-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 512534380 PXLWGQQKECHGNK-GOSISDBHSA-N 413.503 1.254 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)n(CCC#N)n1 532603770 WOVJWFXIJNRMML-UHFFFAOYSA-N 400.483 1.295 30 10 HDEE COc1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1[N+](=O)[O-] 545470074 FAQMQIDZKIVZMG-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)C(=O)NCc3nnc4ccccn34)CC2)c1 550193490 DAIKVWWHXOAYCF-UHFFFAOYSA-N 404.430 1.287 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccccc2)C1 585824689 XIAMBCNGGIYGGC-IPNAJESVSA-N 417.465 1.802 30 10 HDEE CCCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N(C)CCC#N)cc21 586312245 FGXZUVZQOCTHDO-NDEPHWFRSA-N 405.476 1.125 30 10 HDEE C=CCn1c(SCC(=O)NCCc2nnnn2C)nnc1-c1ccc(Cl)cc1 678546932 VUOJKATYJDRNSX-UHFFFAOYSA-N 418.914 1.759 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 714632391 JBUDAIIUXHVMNO-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 727159350 KBNDDUVPSSINLN-HNNXBMFYSA-N 421.519 1.697 30 10 HDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 727415470 QPDSRFUMNWHRGV-QGZVFWFLSA-N 421.478 1.824 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)cc2NC1=O 727977281 WJIJJJQUISEJKU-YTEVENLXSA-N 418.409 1.928 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 729333346 WYXPPOVLAPDOPA-FUHWJXTLSA-N 406.504 1.302 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(C)c1 729668548 MXTWVGXMISJNDZ-UHFFFAOYSA-N 415.478 1.104 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 731901531 AKDQWXYEXAKBGD-UHFFFAOYSA-N 424.486 1.177 30 10 HDEE N#Cc1cccnc1NCCNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 733255670 KPXYSMJSPKLNMM-FQEVSTJZSA-N 414.469 1.918 30 10 HDEE COC(=O)c1ccc(=O)n(CN2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 739847728 VDVAWYUQVXFFLK-UHFFFAOYSA-N 404.430 1.229 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749363399 HOBHBGFGIZXQQH-HNNXBMFYSA-N 418.299 1.731 30 10 HDEE CCOC(=O)[C@H](CC1CC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 752724307 KDWXCOZFZBEXEQ-HNNXBMFYSA-N 407.492 1.353 30 10 HDEE N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 754391379 IQFYYOJGJVILDF-CAOOACKPSA-N 415.519 1.261 30 10 HDEE CON=Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 760198157 SYOPPKATXLPPHN-UHFFFAOYSA-N 419.459 1.646 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC[C@H](O)COC(C)C 762822719 HGMYGSHEKHURRI-ZBFHGGJFSA-N 412.508 1.469 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1)c1cc[nH]n1 772380295 IBDQFHVBQACYPG-CYBMUJFWSA-N 411.422 1.152 30 10 HDEE C#CCN(C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1 774216623 BQGWPWYWDPJUSY-CQSZACIVSA-N 408.867 1.722 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCSC[C@@H]2C#N)C1=O 775497883 LOPWTTKHZRBJRZ-DJJJIMSYSA-N 402.476 1.238 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)c1 776675567 SHGRRIQNTGHILJ-SFHVURJKSA-N 400.456 1.852 30 10 HDEE N#CCc1ccccc1CC(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 777158057 CSCJGNACPKSWDO-UHFFFAOYSA-N 411.483 1.884 30 10 HDEE N#C[C@@H](C(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)NCc1ccc(F)c(F)c1 786572988 TVIBUVDMLDBHOC-ZDUSSCGKSA-N 412.352 1.406 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n1 788824577 POCYTCXQNIMVJK-QGZVFWFLSA-N 417.510 1.381 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2ccc(Cl)cc2)n1 788858326 JAYROLJWTFJCNJ-UHFFFAOYSA-N 417.897 1.758 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 789144003 NUYDOYAKVPXXRL-FQEVSTJZSA-N 423.517 1.723 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(Br)c(C(=O)N[C@@H](CO)CC=C)o1 792323182 IYYFVFNCYOHCIZ-GHMZBOCLSA-N 401.257 1.376 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)Oc1ccc(C#N)cc1I 798581299 IBAJVWTXDQXIOO-LLVKDONJSA-N 402.213 1.990 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 800080482 COENEPGCTDYSIQ-WMLDXEAASA-N 424.523 1.831 30 10 HDEE CC(C)(C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 811177594 GLXWSLXNZAUPNB-SFHVURJKSA-N 406.394 1.779 30 10 HDEE C#CCONC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 812781670 BNTOHHICANERCR-UHFFFAOYSA-N 406.508 1.700 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)[C@@H](C#N)C1 815754943 HMFXIAFDQIMESL-CABCVRRESA-N 400.483 1.689 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc1 1125156327 YZVWWVJUVULWNG-NRFANRHFSA-N 413.499 1.890 30 10 HDEE CCN(CCCNC(=O)COc1ccc(C#N)c(Br)c1)S(C)(=O)=O 1125273466 KDZGKMRKHUAMLG-UHFFFAOYSA-N 418.313 1.487 30 10 HDEE CC(C)CNC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1135842333 LURULUHWPMXVPU-OAHLLOKOSA-N 413.496 1.410 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1136546330 DMYBXVBAYDUIGX-KRWDZBQOSA-N 416.478 1.621 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)C2)nc1 1141570160 BTWUYQVWWTWBMK-MRXNPFEDSA-N 416.459 1.049 30 10 HDEE Cc1c(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cccc1S(=O)(=O)N(C)C 1142127120 NKAFUXFOTWRMPD-ISLYRVAYSA-N 406.464 1.100 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)COc3ccccc3C#N)C2)nn1 1153253293 IUYIUVWMYBKMLZ-UHFFFAOYSA-N 412.450 1.637 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(OCC)c(OCC)c2)CCOCC1 1155806401 JQOMMTMFMPLMPU-UHFFFAOYSA-N 424.519 1.451 30 10 HDEE COc1c(F)cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(N)c1F 1156592201 QGYNSLVWISHLRZ-OAHLLOKOSA-N 400.385 1.958 30 10 HDEE COc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC1CCCC1 1159489569 HMJUSRHJEZDECF-UHFFFAOYSA-N 410.430 1.848 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H](O)[C@H]2CCCO2)CC1 1166734089 SVXWBMGBVLDZOD-JKSUJKDBSA-N 400.435 1.679 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1167855730 XQIWBJJKFQQOTD-CQSZACIVSA-N 413.471 1.396 30 10 HDEE N#Cc1cn(C2CN(C(=O)C(O)(c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1181000371 NLSWONRLVAXGLI-UHFFFAOYSA-N 402.410 1.140 30 10 HDEE COC(=O)[C@@]1(N2CCN(c3cc(Br)c(C#N)cc3F)CC2)CCOC1 1187089890 DSIAJVRQNXLOQH-QGZVFWFLSA-N 412.259 1.914 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3ncc(C(F)(F)F)cn3)C2=O)cc1 1227631825 JCTIWSHUGPYYNU-HNNXBMFYSA-N 418.379 1.967 30 10 HDEE COc1c(C)cnc(CN2CCC(N(C)C(=O)NCC#CCN(C)C)CC2)c1C 1251708872 ZNRKYMJJFDKXEK-UHFFFAOYSA-N 401.555 1.878 30 10 HDEE CN(C)Cc1cnc(/C=C/C(=O)c2cccc(S(=O)(=O)NCCC(=O)O)c2)s1 1257398820 IDZTUJPSBVWEJB-VOTSOKGWSA-N 423.516 1.854 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)N3Cc4ccc(C#N)cc4C3)cnc21 1277424800 KQKGWZYUUQFEGU-UHFFFAOYSA-N 413.235 1.307 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Nc3cccc(OC)c3)cn2)C1=O 1279448262 WDQXSKPICQHDKH-UHFFFAOYSA-N 409.402 1.749 30 10 HDEE C#CCC1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@]3(C)C2)CCOCC1 1282447971 ZHXHLGNMXFOOGR-NURDFZFVSA-N 412.530 1.537 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1286322860 HJOTVUGUFDXKKB-SJORKVTESA-N 409.556 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCNS(=O)(=O)c1ccccc1 1286429046 ZNPNHXIQMLLLOK-UHFFFAOYSA-N 413.547 1.918 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1286447509 PKSPUASXCRGRBF-UHFFFAOYSA-N 401.421 1.357 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1286554109 GOOQENGHDBWRKS-BBWFWOEESA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286607800 VJPYWHRKZPHYEE-GOSISDBHSA-N 413.526 1.863 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1286745724 GRWPQLUVXSXETL-QGZVFWFLSA-N 417.535 1.461 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286786126 XWDAOUURNAIGQR-KRWDZBQOSA-N 405.462 1.695 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)S[C@H](C)C2)n1Cc1ccc(C#N)o1 1291204980 CGCYFQBSDZDPPC-UPJWGTAASA-N 424.552 1.731 30 10 HDEE CCCN1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1294637068 BGEIJHFQWPCUHT-WBVHZDCISA-N 423.587 1.360 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1297835742 GRAZUENDZDLAMT-XKQJLSEDSA-N 407.492 1.463 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)C1CCCC1 1299206710 PWQLBQSPQDIISC-KQPPXVQYSA-N 411.499 1.479 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1300327410 CASCZLUMIZMAHT-BVBHFADKSA-N 403.527 1.719 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCn1c(O)nc2ccccc21 1300671473 JNUOVGGTBFTDKP-INIZCTEOSA-N 410.478 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN(CC)C2CC2)CC1 1300719448 BKEWJWSRPLDFEX-UHFFFAOYSA-N 424.553 1.129 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC2(CCC2)C[C@H]1CC 1301510596 YZAORHHGSPMZTA-MRXNPFEDSA-N 400.527 1.862 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 1302558841 BEBUGVRQHYCTQN-ZFWWWQNUSA-N 413.455 1.375 30 10 HDEE C[C@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)c2ccc(Br)cc2C1=O 1302596889 RJWHIUFCIXJQRR-GFCCVEGCSA-N 419.279 1.491 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1=O 1304489702 GAYNLCDYUAHYHZ-UONOGXRCSA-N 401.536 1.419 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1 1304657724 ADXFXQQCNDJKLH-RBUKOAKNSA-N 405.520 1.435 30 10 HDEE C[C@]1(C#N)CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 1312606955 CPOJLCTZIBOVLO-YOEHRIQHSA-N 407.268 1.878 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCn3c(Cc4ccccc4Cl)nnc3C2)n1 1312660116 ALYMMKNILMMUNU-UHFFFAOYSA-N 411.857 1.211 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCOC1 1314081445 JAZHWPGRQRMAQL-GCJKJVERSA-N 424.505 1.717 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1314817608 YTJMNGYIPWIOLM-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1325220954 SLZWVTVWZVWFSM-HNNXBMFYSA-N 410.492 1.133 30 10 HDEE Cc1c(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)cnn1CCC#N 1352698124 BLHXOLMVEHLFCZ-UHFFFAOYSA-N 423.521 1.568 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2COCCO2)c1 1358903113 LKRDNWWNEABUQY-SFHVURJKSA-N 413.478 1.286 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1358912543 SVOALOGWTPIPKX-KRWDZBQOSA-N 423.583 1.884 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1358952446 LUWWIHAKEOJSBD-UHFFFAOYSA-N 406.288 1.129 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1358961820 FRNNHNHFFDYCNA-GVDBMIGSSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=C)Cl)CC1 1359034397 OXZYBDWGUNFMLH-UHFFFAOYSA-N 423.908 1.700 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359237812 NQRFSUONRNYBDM-UHFFFAOYSA-N 412.498 1.556 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](OCC)C1 1359302302 BSTFEMFBJZCSQW-GOSISDBHSA-N 423.521 1.824 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)nnn1-c1ccc(F)c(F)c1 1435551063 GVHAOXUWRVOQLP-GFCCVEGCSA-N 424.415 1.867 30 10 HDEE CCNC(=O)C(C)(C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1450979501 ZPPWTKOUNBIKBQ-UHFFFAOYSA-N 408.524 1.316 30 10 HDEE C#CCCN(CCOC)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1458507944 YIJNBZHMARZTAB-UHFFFAOYSA-N 410.496 1.007 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 1458937488 XSUAGWKNFMHHKN-KKSFZXQISA-N 414.462 1.961 30 10 HDEE CC(=O)NC1(c2noc(CCC(=O)N3CCO[C@@](C)(C#N)C3)n2)CCCCCC1 1463096878 VTFJCTPOIIQMAF-IBGZPJMESA-N 403.483 1.829 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1463794902 LSWNRWDLQMZDMB-GOSISDBHSA-N 418.505 1.988 30 10 HDEE CC(=O)N1CCC(N(Cc2cncs2)C(=O)NC2CCN(CC#N)CC2)CC1 1468654426 XGDZHKDJBVJGHP-UHFFFAOYSA-N 404.540 1.654 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1470365760 DZUJWOMXEZJXSQ-HNNXBMFYSA-N 414.524 1.212 30 10 HDEE CC1(C)C[C@@H](SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CO1 1473065632 LGCKCORHXPHFDS-MRXNPFEDSA-N 423.560 1.692 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@](C)(C(=O)OC)c2cccc([N+](=O)[O-])c2)c1 1473695976 AGUOKWLMEOIIHA-OAQYLSRUSA-N 424.413 1.902 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1475460518 IDESZMIDZUXVPF-CYBMUJFWSA-N 418.309 1.987 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)cc1C(=O)OC)C(=O)OCC 1475579614 QQQMGYYMEICCDE-ZDUSSCGKSA-N 405.856 1.834 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CO)CCc3ccccc3)C2=O)cc1 1478569350 WGJVFFPCIDYDDB-LEWJYISDSA-N 406.486 1.952 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1494235705 IPLYUTQRHUWFPD-HUUCEWRRSA-N 417.473 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1507512239 CUEDNOZCVWINME-DLBZAZTESA-N 410.526 1.375 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1507526261 BLNIHACSBOVBCJ-GFCCVEGCSA-N 403.288 1.796 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1507579003 IPFLJUWIPLAOLP-GOSISDBHSA-N 413.526 1.841 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1507616866 OMYASSQPSVOSBT-QGZVFWFLSA-N 419.507 1.188 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc([C@H](C)O)cc2)CC1 1507723413 HMSGXHFNADLZPG-QFBILLFUSA-N 408.506 1.086 30 10 HDEE C=C(Cl)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1507875724 WUBQFRFUIUPOHA-YZVOILCLSA-N 409.918 1.786 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1508040821 BSSGNJKQPOLAJZ-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1508088529 SQOYWVJGCPXDBT-MSOLQXFVSA-N 424.505 1.327 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1C(C)(C)C 1508097689 JXMZIHUQADADGP-AWEZNQCLSA-N 416.530 1.452 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1508593176 DLVIIPUSMMWFSK-FGTMMUONSA-N 402.543 1.583 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1508742777 KPRDDVWBNJFFAM-JOCHJYFZSA-N 410.522 1.889 30 10 HDEE CC(C)NC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1509758288 OFANCEUCQOIMKY-OALUTQOASA-N 408.478 1.285 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)ccc1F 1515742701 PHEUAOQQSYCWJZ-QGZVFWFLSA-N 419.478 1.377 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1516813966 GFXJRXDYKGXYRQ-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCCn1cc(CO)nn1 1517105350 GOSBRMRPZCGKSS-UHFFFAOYSA-N 417.477 1.955 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1518638558 GBJRGJGOXHMNRG-MSOLQXFVSA-N 410.478 1.195 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 1530735246 MNPUOEPGZYKRSX-INIZCTEOSA-N 407.536 1.695 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CCCCC1 1538315964 XJELYYYWZQXQBQ-UHFFFAOYSA-N 406.552 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1539017348 ZXKLGNMQUIWIGV-HNAYVOBHSA-N 423.477 1.423 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](F)COC)c1 1539043686 TUHGHTDYEYTOSR-DLBZAZTESA-N 415.469 1.823 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1539119305 VBFAGMYIBUIUFI-SUNYJGFJSA-N 407.517 1.140 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1539126642 ZJIJVNCXEQSZMD-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1539195366 WNOCVWIDELNMTD-UHFFFAOYSA-N 404.430 1.821 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1539207027 YUHDYNWVUZEYFU-HNNXBMFYSA-N 410.446 1.863 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539216713 WIDDNXKZFZABBG-QGZVFWFLSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCC1 1539251014 WYQYWONREWNDKH-UHFFFAOYSA-N 416.489 1.810 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1539352296 UWEFVDPLONYICN-UHFFFAOYSA-N 419.262 1.878 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1539416647 RAEHNRFPQQOREO-IRXDYDNUSA-N 410.540 1.083 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1C 1539416676 RKSSZUXWIIUHND-IBGZPJMESA-N 416.547 1.931 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1539517280 LDZVWVONALUXDJ-YJBOKZPZSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1539530867 NUVLCFHCLFFHLD-UHFFFAOYSA-N 418.611 1.686 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1539556807 WKWVBATXGVDUKJ-DYESRHJHSA-N 401.511 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)CC1 1539716216 KMJQSLGIAYCGQZ-UHFFFAOYSA-N 417.466 1.582 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1540026222 BGLVZXIERWLZLC-UHFFFAOYSA-N 401.515 1.624 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1540198869 RLGBDUQIRHFZJT-SJORKVTESA-N 412.556 1.636 30 10 HDEE Cn1cnnc1[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1540836687 GBHIYUMKSHSJGY-WBVHZDCISA-N 421.461 1.298 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1540853949 WNTOOIRXZUCNNF-ZDUSSCGKSA-N 405.528 1.170 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540865622 MLWUOOWKHKAVMS-HDICACEKSA-N 411.462 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540866465 OAAXHCRVNIACQY-CQSZACIVSA-N 417.901 1.258 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1541118542 CKKFIILBKOOLRR-HNNXBMFYSA-N 411.514 1.363 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1542797305 MXGOHXUUMJRTAN-QGZVFWFLSA-N 421.519 1.896 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1554470951 FIUHFBAJSLQIMA-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE C#CC[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1556832802 IXWUFYUYTTYZAP-IAGOWNOFSA-N 418.494 1.856 30 10 HDEE C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1557600052 HYZHYURPYJNRQE-DHZHZOJOSA-N 408.336 1.939 30 10 HDEE C[C@]12CN(C(=O)c3cccc(CNc4ncccc4C#N)c3)C[C@]1(C)C(=O)NC2=O 1557897265 PZRRXDVCIZIWNP-FGZHOGPDSA-N 403.442 1.690 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1558110075 JBWCKYQUGJMMQT-INIZCTEOSA-N 420.535 1.512 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCC(=O)Nc1ccccc1C#N 1560005703 NUINKOOQEJVQJH-OAQYLSRUSA-N 418.494 1.475 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)C1 1563413062 FKPASCSEQNYKGD-FPOVZHCZSA-N 400.523 1.465 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1585567618 GIFNDOQFSYYBLJ-HZPDHXFCSA-N 413.540 1.999 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)CCCOc2ccc(C#N)cc2OC)C1 1586461036 FFXUSFYATUPKCL-HZPDHXFCSA-N 418.446 1.679 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCN1CCN(C(C)=O)CC1 1588011466 BUMCLTBAAIKKJB-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588034054 APSYKXPWELSIMJ-GOSISDBHSA-N 401.492 1.220 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034444 GFFQCYAVIOVRQK-MOPGFXCFSA-N 419.526 1.655 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CC(=O)N1CCOCC1 1588099585 RPEREKQXAPMOLG-UHFFFAOYSA-N 403.442 1.623 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1588385088 FFKLBMPORVIWKL-UWVAXJGDSA-N 406.552 1.845 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1588985125 OLCCEDDCGYTIEU-YESZJQIVSA-N 421.567 1.616 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1593746375 CPAWWXQKWAHNML-HNNXBMFYSA-N 410.478 1.910 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C(N)=O)c2)CC1 1594122422 PQRBUDUPZAGJTO-UHFFFAOYSA-N 408.506 1.899 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1596814698 ZIWWQSSHOLBFJA-HUUCEWRRSA-N 423.477 1.995 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1598070247 SBMCDBRMOLQBGF-LSDHHAIUSA-N 424.498 1.244 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)CC1 1603169580 YEXDRJMPUCMXNJ-OXJNMPFZSA-N 410.536 1.530 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1607455110 GLCBDPYLTMYKML-FHWLQOOXSA-N 402.543 1.879 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1618030191 YBMVMQGKTCRJNF-UHFFFAOYSA-N 413.478 1.044 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1 1619911760 FWJWVKIUOPLZBA-AUUYWEPGSA-N 402.455 1.096 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 1622018749 CVHCHMZGNMRPNQ-SFHVURJKSA-N 424.482 1.551 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCN(C4CCC4)C3=O)C2=O)cc1 1623759300 AVDKLXZMWQZHAL-IRXDYDNUSA-N 409.446 1.033 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)C1=O 1626247075 SBLYHUNNIWJOOA-CQSZACIVSA-N 408.524 1.956 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1630889383 WVLZOZCFVLGLLK-UHFFFAOYSA-N 414.462 1.518 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H]3c3ncccn3)C2=O)cc1 1633395298 BYHBXSJTETXIGQ-IAGOWNOFSA-N 404.430 1.917 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1633716149 VJDYDYUDYWGDFA-QGZVFWFLSA-N 406.504 1.879 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCn4c(O)nnc4C3)C2)C1 1634680961 FMQHTPREJQNEMM-MLZJXEJWSA-N 402.455 1.113 30 10 HDEE N#C[C@H](CO)NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1635480333 ALGNHLDCBWSLQZ-GFCCVEGCSA-N 413.249 1.630 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)ccc2c1=O 1637479357 FTBGZIASGIKVLC-KBPBESRZSA-N 419.528 1.378 30 10 HDEE C#CC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)OC 1637697032 LRJLHDYQPVSDRJ-SFHVURJKSA-N 417.506 1.694 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1638293322 XDJBMFZAAMRLAK-TXXWUTRGSA-N 419.522 1.389 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ncc(Br)cn3)CC2)c1C#N 1638853199 GVYIBJALDLGFLW-UHFFFAOYSA-N 419.287 1.185 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)NCC(C)C)cc1)c1cc[nH]n1 1643918778 PKRBQOIARWABSK-UHFFFAOYSA-N 415.450 1.718 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)ccc1F 1644260530 AUEFALYFUJEJGZ-GFCCVEGCSA-N 422.438 1.121 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)CCCC(=O)Nc1ccccc1C#N 1650698504 MCHAUDKIMZWBRV-MRXNPFEDSA-N 403.435 1.478 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)CC1 1650951947 WGHQNWUPODWAGV-MRXNPFEDSA-N 407.536 1.436 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1652332194 QUVWRVUMYXPALO-VJFUWPCTSA-N 419.551 1.854 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3OC)cc2)C1 1653281382 KYUOMCUOHHARCR-UHFFFAOYSA-N 400.456 1.340 30 10 HDEE COC(=O)Cc1cc(OC)ccc1S(=O)(=O)NCc1ccc(OCC#N)cc1 1653992561 CRDZXVWLQKBQBH-UHFFFAOYSA-N 404.444 1.792 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)c1C#N 1654182014 OWPBYUDLOXLIHY-RNODOKPDSA-N 420.514 1.786 30 10 HDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)CC(=O)NCc1cccc(C#N)c1 1659480998 NHBNXXNQTCHCRI-UHFFFAOYSA-N 404.511 1.990 30 10 HDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc21 1663626569 HHDPULAAAILBEI-YOEHRIQHSA-N 402.520 1.908 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(C)(C)C 1663654663 IPVXKNXWBPONEW-MSOLQXFVSA-N 408.520 1.991 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 1668271279 DRBYUCDEJIOIQF-UHFFFAOYSA-N 403.435 1.858 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 1671634794 JVTLFHQVIYRYMP-SREVYHEPSA-N 422.503 1.266 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(-n4nncc4C)cc3)CC2)c1C#N 1673093767 BNWXGXSRWBJFCX-UHFFFAOYSA-N 405.466 1.843 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(C3(O)CCOCC3)CC2)cc1 1673398737 QHLBFBZFABQMKC-UHFFFAOYSA-N 423.535 1.936 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)[C@@H]1CCS(=O)(=O)C1 1678516530 XMUDQYUMWMHKGX-QZTJIDSGSA-N 420.922 1.958 30 10 HDEE C#CCCCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1680530236 BOAJKVFWGZJSLM-UHFFFAOYSA-N 413.263 1.716 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)NCC2(C#N)CCOCC2)C1 1687830228 TYGUOWDGQOYTNE-INIZCTEOSA-N 410.515 1.710 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H](C)C1 1689827472 FSCYSVTWZMQZFU-FGTMMUONSA-N 424.615 1.858 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(O)CCOC2)c1 1689871705 BZSBAFIOEGBIQZ-JOCHJYFZSA-N 411.506 1.684 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689893514 ZIHGHMAOIRQCSL-IBGZPJMESA-N 415.538 1.661 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689990197 MQQQOANCNSIIDG-KZNAEPCWSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCC2 1690034609 NDZFCYUIBGZEQW-JOCHJYFZSA-N 423.521 1.368 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CC 1690044062 XURZDAJKLSNHGS-KRWDZBQOSA-N 408.506 1.953 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCn3ccnc3C2)n1 1690109189 JTDIHNXYTNESIA-GOSISDBHSA-N 422.537 1.782 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCC(F)F)CC1 1690114630 BBUXBLOUFQLMQT-UHFFFAOYSA-N 422.867 1.735 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1690993300 HZKIYVCXGCQGAR-QKKBWIMNSA-N 422.493 1.532 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1691005755 DQCWUUYZMBSGOU-DOTOQJQBSA-N 402.524 1.685 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694132820 VZZPUSCNHSDYRO-IGGDJGDASA-N 415.542 1.848 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1695496904 HPINGFTZJCJZIC-QGZVFWFLSA-N 419.493 1.765 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1696918783 GYRDEOCZDSWKHT-OAQYLSRUSA-N 409.494 1.305 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H](C)O1 1697894253 OCVYRAJEWNQCSM-VQIMIIECSA-N 415.494 1.456 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCOCCCO)CCO1 1698494014 ZLVVIKDVEZSHLL-HNNXBMFYSA-N 405.430 1.124 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1705538748 ZEDTWQSNOOIRAI-GASCZTMLSA-N 403.508 1.533 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705559843 GHHWBVLTRIATRI-HNAYVOBHSA-N 406.508 1.529 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nccc(C(F)F)n1 1705600934 QTYAHAFXENLZTP-UHFFFAOYSA-N 413.432 1.639 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)COCC2 1705620805 HBEKNBGMMWGSSA-UHFFFAOYSA-N 423.517 1.721 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCSC2)CC1 1705635152 SBZKELRSNDURJS-RXVVDRJESA-N 419.595 1.829 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC#C)CC1 1705651650 DZXIEEMOHDQVPH-UHFFFAOYSA-N 409.519 1.047 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCS(=O)(=O)C1 1705666550 BETDHUZZEWOTIO-HNAYVOBHSA-N 407.540 1.233 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728316 GEXQFWJAIPWBAF-PXNSSMCTSA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(C(C)=O)CC1 1705898446 MBIQHDRCIAVZHH-UHFFFAOYSA-N 412.494 1.315 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1706751767 UEYRVNLHJUYPSK-CBGDNZLLSA-N 416.526 1.867 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1709445730 ZCVXOQSKHGSMQK-RBUKOAKNSA-N 404.446 1.999 30 10 HDEE CCOc1ncccc1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1710572940 NKTNTBCKRJLBSK-RDJZCZTQSA-N 416.482 1.573 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1710986265 AIVAZVKMDRPUCP-ZWKOTPCHSA-N 410.478 1.289 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1711222687 ZLYCAJZYAAUIEZ-QGZVFWFLSA-N 416.507 1.147 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1712646919 IQYJRMGTBBFFMC-ZQIUZPCESA-N 414.466 1.182 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1ncc(C)o1 1719849305 IELFYKVGZBJZMK-WDHIOAMHSA-N 403.479 1.729 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722321268 BBFBHQZGTQAKLH-UHFFFAOYSA-N 414.470 1.776 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1722352588 OUJACYNKSGTUAQ-INIZCTEOSA-N 416.503 1.343 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1722353148 XOCQQSQLVVFAJH-HNNXBMFYSA-N 404.515 1.598 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1722359903 XHBYWDCEFFOMMP-GOSISDBHSA-N 418.567 1.932 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC 1722415825 HTJGRUVYIVZDNB-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CC(=O)N1CCOCC1 1722421308 OQABAPFFKWXMOH-UHFFFAOYSA-N 423.473 1.636 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1722428353 FZEGVEYYELGYRV-KKSFZXQISA-N 401.511 1.269 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1722433186 OHLKNISGUPIASJ-WIYYLYMNSA-N 405.543 1.356 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1722433373 SYZQWCLESQREKU-AVRDEDQJSA-N 416.570 1.168 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](Cc2ccccc2)OC)CC1 1722437861 KPKOQJZPXQWDMF-NRFANRHFSA-N 419.533 1.692 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722439614 ITJPUDQTLCGBTP-MRXNPFEDSA-N 402.543 1.899 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1722557485 PANJRPWIAOGBNA-WMLDXEAASA-N 420.963 1.941 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722577612 LQFNCYUUCZJFNI-SFHVURJKSA-N 416.570 1.867 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@](C)(CC)C1 1722725451 LWSAHSGGAGSHJN-LJQANCHMSA-N 405.524 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1722729157 XFKHWCRCMXYTOD-HNNXBMFYSA-N 411.572 1.430 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1 1727651576 FEHFKXDIMSSILE-HNNXBMFYSA-N 408.491 1.740 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1(C)C 1730402805 FHCWTPSPDRGMJZ-GOSISDBHSA-N 422.493 1.882 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1730878888 XOMZTUBECKXWRX-IAGOWNOFSA-N 406.531 1.605 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1731150303 WFQIYYDPPAUVDH-CICGVWCYSA-N 411.466 1.413 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740590343 GXNBNPGCEKHVQU-SJORKVTESA-N 411.510 1.593 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1740606850 USOQBJTZNZHIFX-GOSISDBHSA-N 409.494 1.723 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740622575 DTUQSBWXHMCNNZ-KRWDZBQOSA-N 416.551 1.571 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740627833 SQSQLDCDRGVCOG-ZWKOTPCHSA-N 421.611 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1740640982 BMITXEQCYRLHAW-UHFFFAOYSA-N 411.531 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(OC)CCOC1 1740644834 WKBIZDCVOPPCEG-OAQYLSRUSA-N 401.511 1.465 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCSCC#C)CC1 1740704728 SSSJOFOLFAGYJV-UHFFFAOYSA-N 410.547 1.616 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(C)cccc2C1 1740950805 IBABIEPLSSIACM-UHFFFAOYSA-N 408.506 1.687 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NCCC)CC1 1740954622 PVZNVWIKLXRWFY-UHFFFAOYSA-N 414.510 1.891 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCOCC2)C1 1740973332 VWUXOKXLNRRMBT-GDBMZVCRSA-N 413.544 1.096 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CC(=O)N2CCOCC2)C1 1740978301 RMIGRUFEXDJFTP-SFHVURJKSA-N 411.506 1.894 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1OCC[C@H]1C 1741931652 RGKOIRZUSQMRNV-BASYENTBSA-N 410.544 1.443 30 10 HDEE CCc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1744514152 BAHTWYLMOINZLN-NSHDSACASA-N 424.556 1.090 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1747384050 UURCOHJRIZUOMO-RDJZCZTQSA-N 414.466 1.374 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1747540582 FTGXKXKOGCNDQM-QGZVFWFLSA-N 404.478 1.632 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1OC 1748800154 SECFMUZJEBYWGF-QFBILLFUSA-N 400.479 1.987 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1748907347 SHRVBMUYJPXDCV-UHFFFAOYSA-N 412.494 1.442 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748926865 XAMUOJKFPIELSU-INIZCTEOSA-N 419.526 1.925 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749019156 NAVHKRGSQSHBSZ-BHIYHBOVSA-N 415.538 1.647 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749211116 STZNOPQAXOMJTN-QGZVFWFLSA-N 418.542 1.600 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1749462064 MWBPUDUQIQSJHN-AWEZNQCLSA-N 418.464 1.692 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)C1 1749651456 VOCDWCYGKJBTIN-ZDUSSCGKSA-N 401.496 1.169 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1snnc1C 1750140245 ZMHYJLCOYYNBHT-JDFRZJQESA-N 407.475 1.652 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)C1 1750378313 HAUWJIWAYWLJAV-OAQYLSRUSA-N 413.501 1.818 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760152158 WWIXNBSJLMTEDR-IAGOWNOFSA-N 411.510 1.516 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1760167904 HGPHCJYWCKNAAT-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1760171033 FVINBSRZCMZPFP-GDLZYMKVSA-N 410.503 1.965 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2snnc2C)CC1 1760262350 MIWVYYNWPFGLSR-UHFFFAOYSA-N 411.510 1.971 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](OC)C1 1760522170 MWDUVHNIJLKDDG-YJBOKZPZSA-N 413.478 1.708 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1766932914 SRRXMMHRWBDAIZ-IBGZPJMESA-N 423.521 1.206 30 10 HDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCCO)cn1 1767456077 JFFARUAWUIHQAZ-UHFFFAOYSA-N 408.466 1.376 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1768457155 HTXBMJWKQATXMP-KRWDZBQOSA-N 407.478 1.358 30 10 HDEE COCc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1F 1769341745 HRPZBHCERPERFE-DOTOQJQBSA-N 401.442 1.845 30 10 HDEE CN(C)CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1850067419 WTKKGSODIAMJJI-UHFFFAOYSA-N 403.957 1.483 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)cc1=O 1850210462 YHFMMZFHUXIXMT-OAHLLOKOSA-N 403.446 1.693 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)n1 1852551269 SOYZSLYVAPDWDF-CQSZACIVSA-N 410.865 1.703 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)C(=O)C2 1852654120 RUIARSSPYYKHFT-QGZVFWFLSA-N 413.430 1.966 30 10 HDEE Cc1cccc(OCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1853849539 PZSRVLAVQPERQD-KRWDZBQOSA-N 402.428 1.793 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1854189926 MALKMSQZEGLHAK-WOJBJXKFSA-N 408.502 1.727 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854286307 GBXCYGCEUXNEML-GOSISDBHSA-N 418.519 1.448 30 10 HDEE CN1C[C@H](CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C23CCCCC3)CC1=O 1854294980 CCDWETPWCNWEHW-MRXNPFEDSA-N 409.490 1.419 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(Cc3ncno3)c3ccccc32)CC1=O 1854719756 HKHXSKFEEDDHKA-HUUCEWRRSA-N 409.446 1.620 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)CCc3scnc3C)CCC2=O)CC1=O 1854862035 FMHLHSWFPKVVGX-DLBZAZTESA-N 418.563 1.726 30 10 HDEE Cc1ccn2cc(C(=O)N3CCN([C@H]4CCN([C@H](C)CCC#N)C4)CC3=O)nc2c1 1854947683 PWBSFDRKGNNMBP-MSOLQXFVSA-N 408.506 1.694 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)COc3ccc(-n4cnnn4)cc3)C2)CC1 1855065439 RBNCVHDQZYUOIX-QGZVFWFLSA-N 410.478 1.314 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)C1 1855075856 UISCIZAJYRLSDA-IRXDYDNUSA-N 416.522 1.997 30 10 HDEE Cn1cnnc1C1CCN([C@@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855661277 CFZKRRYTGNTFKL-GOSISDBHSA-N 407.478 1.483 30 10 HDEE Cc1c(C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)cnc(N(C)C)c1Br 1856197145 KPIMGUZPQVOSKO-LBPRGKRZSA-N 408.300 1.805 30 10 HDEE COc1cc(N(C2CC2)C2CCN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)ncn1 1856247385 AXFAFIUHMYAZAZ-OAHLLOKOSA-N 412.494 1.207 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 1856284886 AHAJXFODOTXWBV-NSHDSACASA-N 403.382 1.508 30 10 HDEE Cn1cncc1C(=O)N1C[C@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1=O 1856620347 XNNVVPQXAVVNLJ-KRWDZBQOSA-N 407.474 1.824 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CCOc3ccc(OC)cc3)C(=O)C2)C1 1856872329 PMVJSPNFJVFOJG-GOSISDBHSA-N 401.507 1.785 30 10 HDEE Cc1cccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857042098 RVIGTSFGGXGZOQ-GOSISDBHSA-N 403.504 1.478 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cncn1 1857250668 RPGGVESRHZAAAS-JKSUJKDBSA-N 407.478 1.360 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)Cc3cncnc3)C2)CC1 1857252339 CIULYDCBHCNYAD-QGZVFWFLSA-N 404.474 1.540 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3cncc(F)c3)C2)C1 1857469092 NOXFKZXYVABGII-CQSZACIVSA-N 409.421 1.629 30 10 HDEE C#CCOc1cn(CCOCCO)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871007869 WRQRAXLAGAERRS-UHFFFAOYSA-N 413.474 1.748 30 10 HDEE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H](C)CC1=NO 2032025586 SNHIWKDVNRGKPP-KBPBESRZSA-N 407.492 1.953 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)CO1 2118163316 PMBMLJBASPXIHW-NWDGAFQWSA-N 401.510 1.828 30 10 HDEE C#CCN1CCC(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2139194322 JZGRLOLXJFEDRN-UHFFFAOYSA-N 417.531 1.470 30 10 HDEE COC1(CCNS(=O)(=O)N2CCC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174786928 ONBVDMIGUYSLMM-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1cc(Br)cnc1C#N 2218615815 MNPDGILXCOZQLE-MELADBBJSA-N 413.272 1.469 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2247917827 LHZBRQRNDRCNER-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)nn1 2251304670 QFLYYORKVUVEKO-HBWSCVEGSA-N 421.307 1.685 30 10 HDEE Cn1nc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 2255837456 POYMJAAMGXWSIU-YRWFTTLQSA-N 422.338 1.580 30 10 HDEE C=CC[C@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258132820 DLCWRNJSJXHKMI-IRXDYDNUSA-N 410.492 1.825 30 10 HDEE Cc1c(C(=O)NC[C@H](C)CC2(C)OCCO2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281808471 WCAWLOUJQGYPCF-CYBMUJFWSA-N 407.320 1.547 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3C[C@@H](CO)CO3)c2Cl)OC1(C)C 2281939216 VZPWSYVKXRNPQG-WDEREUQCSA-N 401.721 1.828 30 10 HDEE C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334200 YLMVQZFBLARFMA-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCN)C3CCCC3)s2)OC1(C)C 2282339713 WPKCNDIGMSVWIY-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE CC(C)(O)C1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341025 MSIBZKLGENNTSS-UHFFFAOYSA-N 401.359 1.875 30 10 HDEE Cn1cc(Cl)c(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n1 2282343864 HXUPOYOZXQHWOF-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@@H](N)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282489142 CQDQKCOIENHREQ-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282503425 ZWELAVLLMZIGKV-GXTWGEPZSA-N 401.359 1.580 30 10 HDEE CN(C)C(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282503649 CUIYMMNNQOIKEG-UHFFFAOYSA-N 402.709 1.006 30 10 HDEE C[C@H]1NCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512796 VUFPHLACGMZOPD-RISCZKNCSA-N 400.737 1.668 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1 2282835917 CCVJAPOPNBHPGT-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=CC=Cc4ccccc4)n3)[nH]c2n(C)c1=O 2313800504 VSDPMDCXWZNBNH-UHFFFAOYSA-N 423.462 1.341 30 10 HDEE CC1(C)OB(c2csc(CN3CCSC[C@@H]3S(C)(=O)=O)n2)OC1(C)C 2342911873 FNRZPFUXDMVGBM-ZDUSSCGKSA-N 404.388 1.362 30 10 HDEE CC(C)(C)[C@H](N)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2362083672 DXRVIEIKEGVTSA-CYBMUJFWSA-N 402.391 1.840 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](C)N1CC(NC(=O)OC(C)(C)C)C1 2365198246 YZZLSHFNZHHSTH-GOEBONIOSA-N 401.573 1.389 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOCCN1C(=O)OC(C)(C)C 2367785209 DHTZQTZMOVSQCC-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCOC)NC(=O)OC(C)(C)C 2367789472 DKSMLYCHDIRKET-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367805690 DKTWOHPRZVPWDD-MPGHIAIKSA-N 400.541 1.292 30 10 HDEE CC[C@@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367817116 RHBYROYUMWKBHE-HNAYVOBHSA-N 400.541 1.163 30 10 HDEE CCC(CO)(CO)C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369899579 KAUDMQXOVUXQLK-UHFFFAOYSA-N 403.737 1.698 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 7936216 KUEBTBNJDJULKE-OLZOCXBDSA-N 405.432 1.099 30 10 HDEE NC(=S)N/N=C1\C[C@H](n2nnn(-c3cccc(Cl)c3)c2=S)[C@H]2CO[C@@H]1O2 17321055 CVYJFYQUCKADBU-DTSGLJOZSA-N 411.900 1.327 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCC(=O)NC(C)(C)CC 18761549 KMBDITSSFJQNER-QFIPXVFZSA-N 413.474 2.000 30 10 HDEE CC(C)CN(C(=O)CN1C(=O)CS/C1=C/C(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 104477739 YAGDKBNHGOJOKN-AVWXOPBPSA-N 414.549 1.054 30 10 HDEE N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CC[C@@H](O)C3)[nH]c2cn1 142241111 PSRLCPZENBRHJV-MJGOQNOKSA-N 421.432 1.508 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)OC1(C)C 404828196 SARAFLNALLWTAD-UHFFFAOYSA-N 402.709 1.628 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 440847619 TZELDWWAOWKAAA-JXFKEZNVSA-N 424.519 1.628 30 10 HDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 445706828 HYPXYPSYDVIAOF-AQFXKWCLSA-N 417.491 1.780 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472248323 BXDPRURJMMHVEL-XJKSGUPXSA-N 404.540 1.196 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc(F)c1 479822066 IPNWIAVVTVGPGX-ZDUSSCGKSA-N 418.450 1.461 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@@](C)(O)C1CCCCC1 484405262 WJOUKBCYUJKETR-OAQYLSRUSA-N 410.478 1.833 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccccc2CN2CCC[C@@H]2CO)cc1C#N 489649703 FZKCGXXZYSVTNO-LJQANCHMSA-N 400.504 1.697 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] 493884217 XBJIDWQIOSNRQG-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OCC)cc2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 504707028 QMNAXMQXFDUTGE-URFJDIBFSA-N 423.469 1.823 30 10 HDEE biogenic CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 506675179 ZZCRPNIJJYNVGJ-FUHWJXTLSA-N 420.535 1.548 30 10 HDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 508710489 ARTCKHYDGKVPPK-CQSZACIVSA-N 406.284 1.845 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 515661280 PVXUSODOSBBBAX-UHFFFAOYSA-N 412.474 1.576 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2nccn2C(F)F)CC1 524210046 GLUYRXODZWLTHY-UHFFFAOYSA-N 424.433 1.366 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C[C@@H](C)C#N)C2CC2)CC1 532818835 UPECBMKRQLSPJB-SFHVURJKSA-N 411.550 1.956 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)CC1 539503691 YWGGDOZZKNFBRK-CQSZACIVSA-N 402.480 1.770 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)n1 545512009 OZZWBMDYBCELCW-UHFFFAOYSA-N 408.462 1.683 30 10 HDEE CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549130464 YKKMCKDVJJWPEW-UHFFFAOYSA-N 422.518 1.883 30 10 HDEE CN1C(=O)N(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C(=O)C12CCCCC2 552902912 SONOWPMBDZDVIV-MRXNPFEDSA-N 411.462 1.530 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@H]3CCOC3)CC2)n1 571228355 DBULGZXSGLFQJI-MRXNPFEDSA-N 404.478 1.903 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 574487874 BNNNNCCKKJBCCS-UONOGXRCSA-N 417.539 1.514 30 10 HDEE COc1ccc([C@H](CC(=O)O)NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 581108163 QOWWCLZZDAPDKG-HNNXBMFYSA-N 405.432 1.773 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3ccc4ccccc4n3)CC2)nc1 585708681 YZPWUKVGUYUREP-UHFFFAOYSA-N 414.469 1.903 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N(CCCC#N)CCCN2CCOCC2)c1 586137273 IYFPBLXVZQZVGP-UHFFFAOYSA-N 411.524 1.721 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603798466 LOJNFRYFRUUOMX-AWEZNQCLSA-N 417.556 1.570 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 619106087 UYNOXDFMVYNRBI-KRWDZBQOSA-N 405.458 1.664 30 10 HDEE CSC1(C#N)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 703997189 ORVJDMRXJWNCID-UHFFFAOYSA-N 407.517 1.724 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1Br 727448384 IWSSIBYFCIWJLS-DPQIITEBSA-N 418.334 1.872 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c1=O 739830854 YQCSOHLNJLWNTF-UHFFFAOYSA-N 403.847 1.881 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 742067711 NXZAZGMQODYBKG-UHFFFAOYSA-N 400.866 1.892 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 746265771 AVONIAUJRSPDAC-IPMKNSEASA-N 414.506 1.593 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)ccc1SC 746483650 KSBGFKBULMSDIH-HNNXBMFYSA-N 413.524 1.846 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 750640369 HAOGHDWBBSTBKC-UPTRSRDDSA-N 417.853 1.271 30 10 HDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)C1 751730409 WANSMACRRACXME-OAHLLOKOSA-N 400.479 1.551 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)N[C@@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C1CC1 753987286 FYPHCFBILIGZRZ-DJJJIMSYSA-N 404.492 1.439 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 754380272 PZZWOSOVVXXQLV-LLVKDONJSA-N 414.509 1.289 30 10 HDEE Cc1cc(C(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c(C)n1Cc1ccncc1 763012589 DGKDHMTZIAOZRX-SFHVURJKSA-N 414.487 1.128 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccnc3)c2=O)c1 763460275 IGISBUWOMHXSBW-UHFFFAOYSA-N 418.522 1.758 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 766142468 XEJJVBMLWNFSBU-INIZCTEOSA-N 406.504 1.792 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCC[C@@H]3O)cc1 768486239 JJAPMNVJVHGVMJ-KRWDZBQOSA-N 401.444 1.947 30 10 HDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780892362 FXYLGABEYBULKE-FOIQADDNSA-N 410.449 1.902 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@@H]1CCOC1 783956832 IMWHVBXUILTCPR-ZDUSSCGKSA-N 409.496 1.220 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccc(C#N)cc1 784543380 XMJUORFWSIVZED-GBESFXJTSA-N 412.442 1.757 30 10 HDEE C=CC[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 790624425 BHMAWZWEKIZNNT-NONRQZMLSA-N 418.494 1.975 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)n1cnc(C#N)n1 791304880 YOKHGHMVAGFTCS-KBPBESRZSA-N 414.470 1.265 30 10 HDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C#N)n(C3CC3)c2=O)cn1 793467026 DJMWWSSETDWMFJ-UHFFFAOYSA-N 401.451 1.737 30 10 HDEE COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 802722532 TULZSPFIADJEJZ-UHFFFAOYSA-N 409.446 1.298 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1C#N 804753694 IZYSKNDHUDSORJ-UHFFFAOYSA-N 402.451 1.166 30 10 HDEE C#CCC(CC#C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 806543440 WJGSVNPQLUTUAN-LJQANCHMSA-N 415.534 1.967 30 10 HDEE CCc1cc(NN=Cc2nccn2S(=O)(=O)N(C)C)nc(-c2ccccn2)n1 814841686 IMHSBLDDUXOPMG-UHFFFAOYSA-N 400.468 1.398 30 10 HDEE C=C(COC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OCC 1116066516 KBBJRBBWFIATGR-UHFFFAOYSA-N 406.254 1.633 30 10 HDEE CC(C)N1C(=O)CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1125125127 CRFVVXVQOQYKEE-SEPJKUCUSA-N 406.508 1.837 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnc4nccn4c3)CC2)cc1 1131485510 AYTARIJATQXHOG-UHFFFAOYSA-N 410.459 1.640 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](COC)c1ccc(Cl)cc1)c1cc[nH]n1 1139432142 SSGGGAWTUMITAA-OAHLLOKOSA-N 408.842 1.851 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](CO)Cc3cccnc3)C2=O)cc1 1140069626 BGHAQRGMBVKHRR-IEBWSBKVSA-N 421.457 1.126 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cncn2C)cc1 1141820755 AWRDAVKKIBMLBN-XNONZUHUSA-N 401.492 1.975 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CCOCC1 1148195543 XDFRVMSXYKXVNI-IEBWSBKVSA-N 410.474 1.081 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCOC3=O)CC2)ccc1F 1148767976 PWUPRRXXHGJYNU-UHFFFAOYSA-N 411.455 1.347 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1nc(O)c2c(n1)CCOC2 1152715987 GMLJMPHMSYJISM-UHFFFAOYSA-N 407.430 1.935 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)c1 1158575466 WDSXLYBXHGBDMS-OAHLLOKOSA-N 418.475 1.399 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)s1 1162248074 FFTBEWKUIWCFIM-DAXOMENPSA-N 409.533 1.346 30 10 HDEE C=CCNc1ncc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)s1 1162634582 PTUAUXLSYAWMBF-UHFFFAOYSA-N 420.560 1.901 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1165497169 AFUHRZLJICYRFI-IFXJQAMLSA-N 417.487 1.023 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1170442754 HYTDEGMJRZMSPE-QGZVFWFLSA-N 401.492 1.582 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCOc2ccccc2C#N)C1 1175070296 PZRGRGGLSKUHBF-UHFFFAOYSA-N 400.479 1.748 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC 1219086635 IYPUDOXGBONHPU-GXTWGEPZSA-N 419.297 1.947 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)C2(c3ccccc3)CCCC2)CC1 1226516349 PUMMODQIEZBIBW-SFHVURJKSA-N 418.563 1.682 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286292756 JFVKLRAMLYNEKE-KBPBESRZSA-N 404.515 1.990 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286325315 UNBCGNMFTDEVRG-PXNSSMCTSA-N 406.552 1.991 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1286342201 NTDVBGQBZFBRPG-GDBMZVCRSA-N 407.496 1.473 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286389304 HWCZRKGDLBODAK-BPQIPLTHSA-N 406.552 1.723 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCOCC1 1286466977 PAWSDWONFGIQBP-INIZCTEOSA-N 418.567 1.441 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OC)CC1 1286479900 PPHPMQXCHFZMLX-SFHVURJKSA-N 408.506 1.236 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCCC=C)CC1 1286489637 ALCYJOZWDDHWCT-UHFFFAOYSA-N 411.510 1.237 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1)C1CC1 1286738151 QYECUJXCCDZLLM-KRWDZBQOSA-N 423.539 1.113 30 10 HDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)cc1 1286796361 JWOZGLSYTCNMCJ-UHFFFAOYSA-N 424.505 1.340 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)C1 1286799136 RSCAUMNQLMSTBS-MSOLQXFVSA-N 419.526 1.491 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCc2n[nH]c(C)n2)c1 1290077166 GNIPXWWRLHNPIM-QGZVFWFLSA-N 408.466 1.564 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCSCCCO)n1 1290616768 DOHQQOQBVOPNHY-UHFFFAOYSA-N 403.556 1.995 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](COC)OC 1292083385 DUULOPTZXXBSJS-OXQOHEQNSA-N 406.531 1.988 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1292911089 SLJDRNJFXBFPJK-LTWWHTJUSA-N 407.467 1.174 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1300380985 LCDOLKSHUGDBOV-OAHLLOKOSA-N 414.897 1.587 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)O1 1300415065 WEUXIXSUXUBMAI-MSOLQXFVSA-N 409.446 1.318 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1300578034 FWNPBLKQMSOESK-SFHVURJKSA-N 412.515 1.697 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1OC 1300621024 JQFGPNVJVSBBFL-RHSMWYFYSA-N 401.467 1.517 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCN2CCOCC2)CC1 1300695878 NVKNVCYEDHJBGZ-UHFFFAOYSA-N 411.554 1.151 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)C1 1300878039 ZMQMNLIFWHLOHH-RHSMWYFYSA-N 402.886 1.911 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1301270732 KKLQJAFIQPXUGF-LJQANCHMSA-N 402.503 1.386 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1301358789 DNOMCZUELRIUKL-GOSISDBHSA-N 412.494 1.537 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC(C)(C)C1 1301485168 SGXGPYYPONJELM-UHFFFAOYSA-N 400.439 1.771 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1301554185 YQZSOVWOHOBSNG-CVEARBPZSA-N 420.539 1.336 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1([S@](C)=O)CCC1 1301810242 USMWNNGZIYCKIV-HJWYETAXSA-N 409.556 1.840 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@@H]3CC=CCO3)CC2)c1C#N 1304730537 HMDKSFBKSAPFLI-KRWDZBQOSA-N 410.526 1.987 30 10 HDEE Cc1nnc(N2CCN(C3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304855392 DALDQEJWNBMSHD-FMQUCBEESA-N 413.526 1.568 30 10 HDEE C=CCOc1ccccc1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1306585234 GCQTVXOXUVMFEE-UHFFFAOYSA-N 423.473 1.872 30 10 HDEE C#CCOCCN1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307844819 QTVFDNKUHHVVRR-MSOLQXFVSA-N 406.527 1.504 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)c1 1309847167 RFQXVPGYEDXMIY-NGEICVOHSA-N 422.503 1.382 30 10 HDEE C=CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1316723811 VMYZBMCHIYCJCD-XTXPQADFSA-N 409.530 1.686 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)NCCN1CCOCC1 1353685748 WXFFHKQTBZLEKT-ZHRRBRCNSA-N 414.550 1.697 30 10 HDEE C#CCN(c1nnc(C)n1CCN(CC)CCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358957567 VZFCYYIILQQODD-OAHLLOKOSA-N 421.489 1.488 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1359010046 FFSXJGOIIPVQIQ-OHTSDLOESA-N 421.567 1.651 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359059313 JJKIGAFUPHAPPK-HNNXBMFYSA-N 402.524 1.070 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359297054 CSLXZUXZTOZJCS-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)NC)C1 1359323034 GYAGEBHTXPDRRL-GOSISDBHSA-N 419.551 1.508 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1359332077 OOFWUPDPVHZOBD-UHFFFAOYSA-N 411.572 1.887 30 10 HDEE CN1CCN([C@H]2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1448129899 YGZVJYQCBCDESF-SLFFLAALSA-N 409.534 1.586 30 10 HDEE C=CCOC[C@@H](NC(=O)COc1ccc(C=O)cc1Br)C(=O)OC 1448494729 KTILQWWPGZESMU-CYBMUJFWSA-N 400.225 1.501 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1)c1cc[nH]n1 1450241011 WMQNFODJBHSKLE-AWEZNQCLSA-N 402.455 1.079 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1452130635 GMPRAHBWQWFXCQ-LSBZLQRGSA-N 414.487 1.657 30 10 HDEE C=CCCC[C@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1455837477 RECALKHXSNFAHM-AWEZNQCLSA-N 407.471 1.698 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC23CCOCC3)s1 1456952898 HSNWUZDQROIWJU-CQSZACIVSA-N 400.522 1.209 30 10 HDEE CCCCN(C[C@@H](O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(CC(C)C)c1N 1459740067 APCOOJODYAJEEK-INIZCTEOSA-N 421.542 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 1463905257 ONAHNPOWEYWGTL-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 1467022538 BUCGPDWERNQRDF-AWEZNQCLSA-N 408.466 1.859 30 10 HDEE N#Cc1ccccc1Sc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1 1467851295 GVBVIDRKLBEZQI-UHFFFAOYSA-N 405.501 1.744 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3ccc(Cl)cn23)cc1 1470345788 VOABCOZRAGSIGI-UHFFFAOYSA-N 405.867 1.777 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C(=O)OCC)c2ccccc2)cc1 1471933818 UXKYOYLCSZOOAM-OAQYLSRUSA-N 414.483 1.806 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)n(C2CCCC2)c1C 1473871986 CTJZFXGTUWQSDC-OAQYLSRUSA-N 411.510 1.761 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CCCCCC3)CC1 1476489220 FAOXXTJOVKGELG-UHFFFAOYSA-N 411.553 1.419 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1478232550 CKTISKCSYNRTJV-HXUWFJFHSA-N 419.547 1.792 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3Cc4ccccc4N(C)C3=O)CC2)c1C#N 1478955549 LXKJCHJCSJSDGQ-KRWDZBQOSA-N 407.478 1.020 30 10 HDEE COC(=O)C1CC2(C1)CN(C(=O)NCC#CCN(C)C)C[C@H]2C(=O)OC(C)(C)C 1479620004 FAGAXICOWAOWOY-TZQQIIETSA-N 407.511 1.104 30 10 HDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1503594173 BWPGMNNIHGJQCK-ROUUACIJSA-N 415.542 1.613 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1503708678 MVJUHLXYIPAKOS-QKKBWIMNSA-N 409.494 1.113 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1507589787 ZYPYYUVSNQQUGB-QZTJIDSGSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN(C(C)=O)C1 1507621204 OWWSXDACTAPLAU-SFHVURJKSA-N 405.506 1.845 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507630553 BXKVDTCPPQKZGO-ZDUSSCGKSA-N 417.520 1.108 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1507642490 VUPJRDPTOAEBJM-UEXGIBASSA-N 402.495 1.055 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1507667048 JWECKXNSPMOUQG-SFHVURJKSA-N 422.558 1.812 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1507684632 FWSYPKPPLKGDIF-KRWDZBQOSA-N 411.506 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1507712468 ZMIRIHQFBCBJHT-OAQYLSRUSA-N 419.476 1.300 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1507844396 JITYZFNIHMSOEU-DLBZAZTESA-N 412.556 1.636 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1507972891 LWXWJHHJSREUBA-SANMLTNESA-N 408.549 1.882 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508095081 LEEMPAGCUDJSKQ-GOSISDBHSA-N 410.522 1.328 30 10 HDEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1509174003 BCBDHESNJYTYMA-FQEVSTJZSA-N 400.458 1.831 30 10 HDEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1F 1518220890 DQHRSSVQGKUVIW-ZBFHGGJFSA-N 414.441 1.348 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2ccc(F)cc2OCC#N)[C@H]1c1nccn1C 1518859786 PGIKREAAXGWXHJ-IRXDYDNUSA-N 401.398 1.389 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1519392328 MHORPHONPNNSJQ-UHFFFAOYSA-N 424.505 1.681 30 10 HDEE CS(=O)(=O)CCCCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1519522106 FVWUJPYBKYOKTF-KRWDZBQOSA-N 409.556 1.954 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C#N)c(F)c3)C2=O)cc1 1525458545 MGJIIEGNYIORGW-OAQYLSRUSA-N 410.405 1.789 30 10 HDEE CN(C)[C@H]1CCc2ccccc2N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1532153807 ZPSAHXARWMCHJC-INIZCTEOSA-N 412.515 1.635 30 10 HDEE Cc1nc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C#N)c(C)c1C 1538308459 GYCMKXBOIIWEKM-KSSFIOAISA-N 404.517 1.367 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1539005799 VKYBTBADLUNSHN-VQIMIIECSA-N 410.522 1.676 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1 1539124373 FKPFEFLEVLUNJP-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)Cc1ccccc1 1539178356 HDXJYOOFUOOBAY-PKOBYXMFSA-N 415.563 1.770 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1539196096 AKCGQLYNJCZSGQ-UHFFFAOYSA-N 413.478 1.184 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539453374 IZNIWZFSESSWFQ-IBGZPJMESA-N 423.565 1.572 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539513287 MFOPPYUATBPASB-KBPBESRZSA-N 408.553 1.359 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1539704538 DWPAXVOHDNZFGP-INIZCTEOSA-N 405.528 1.264 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540033335 FQBYEVXIGGOGEP-KRWDZBQOSA-N 418.542 1.563 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CCC2=O)cn1 1540293928 HHMKMJUDRKKQKS-LJQANCHMSA-N 406.490 1.379 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540857195 FREYAKHOZFQWPH-CYBMUJFWSA-N 403.874 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)C(C)C)CC1 1540867579 ADRDVPCQMXEZAS-UHFFFAOYSA-N 413.526 1.327 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876335 OBWBPRZVWOVAFO-NHCUHLMSSA-N 416.526 1.751 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1540880874 SHJPOOHTABEFLF-MRXNPFEDSA-N 407.478 1.603 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1541087381 UCWWWBLGIOQHGX-LJQANCHMSA-N 423.521 1.695 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(Cc2noc(-c3cccs3)n2)CC1 1543095297 NGDHTUTVHYFFPD-OAHLLOKOSA-N 403.508 1.913 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1544542524 NDNBMUITRSMUJC-INIZCTEOSA-N 406.527 1.058 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C[C@@H]1N1CCOCC1 1544715860 UWWONPIGLUAHSM-APWZRJJASA-N 410.522 1.745 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1544746500 ACCNNDNAOMZFSP-GASCZTMLSA-N 417.473 1.973 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)cc1 1544877095 FKDIODATGIDZRD-KRWDZBQOSA-N 412.421 1.354 30 10 HDEE C#CCN(C(=O)c1nscc1I)[C@H]1CCS(=O)(=O)C1 1545062081 BNWZSTSSGPOVKS-QMMMGPOBSA-N 410.258 1.010 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1555271095 ZIGWMNZDXZDFGO-CZUORRHYSA-N 409.487 1.671 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1555478421 RBRHXIBVOJUYIM-UHFFFAOYSA-N 407.482 1.734 30 10 HDEE C=CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1556205184 SLLUDCODPFZJQX-MOPGFXCFSA-N 422.547 1.294 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCCN3CCO)C2)C1 1556714391 FVCQTASENJVYPG-IOANDJKRSA-N 420.554 1.736 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C1 1557240407 KDGQGXNZHHXLJE-GOSISDBHSA-N 409.490 1.850 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@H](O)c2cccc(C#N)c2)C1 1559509245 XZJJHHWHDNTTHQ-OALUTQOASA-N 416.522 1.945 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)C[C@H]1CN(c2ccccc2)C(=O)O1 1560117123 RXBSLZVVPXKEGT-KRWDZBQOSA-N 400.460 1.684 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1565056881 NISISXYKKVAZTR-PKOBYXMFSA-N 401.559 1.811 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(C(=O)OC)CCOCC3)n[nH]2)c1C 1567441565 QFOQDMOMVWXRMV-UHFFFAOYSA-N 401.467 1.776 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)s2)CC1 1568701002 ALYLGTXVLUARHH-UHFFFAOYSA-N 405.911 1.154 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn(C)cc1Cl 1569285456 HZXLKRAVVMWMKT-CQSZACIVSA-N 423.926 1.987 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 1585305092 KVPHAVBTHSNWRR-UHFFFAOYSA-N 401.282 1.005 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1587626750 OFDRDCOJJSDZOD-AWEZNQCLSA-N 421.461 1.894 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1587626795 OVOYRFFKHKXNIU-RRFJBIMHSA-N 404.515 1.943 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1588045896 SSZXDLMHIRDZTM-KRWDZBQOSA-N 417.535 1.639 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CC)OC)CC1 1588806293 MBBBWLLRIRYYNI-OAHLLOKOSA-N 400.483 1.186 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1588813769 ZYMQNHCBOWKOIA-PCCBWWKXSA-N 414.598 1.905 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCC2)CC1 1588877254 YBTQFHIGARNDBP-ROUUACIJSA-N 403.527 1.062 30 10 HDEE COc1cc(OC)cc(OCCCN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)c1 1595483688 ZDJVMKWHOIVECT-UHFFFAOYSA-N 416.434 1.155 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1595544509 IXLCPFVEJQBKHA-BTYIYWSLSA-N 416.526 1.951 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595569639 LUCKPSUWBXYZDW-MOPGFXCFSA-N 422.533 1.328 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](CC)C1 1595798574 QRUIWSVWZBUZBT-GVDBMIGSSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595838390 QPPAKHMQEAGPDX-DLBZAZTESA-N 422.599 1.492 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F 1596782687 FBCJCWXOWAXOGH-JTQLQIEISA-N 403.304 1.944 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1612653450 KIXIGVUOXPQVNO-CQSZACIVSA-N 401.430 1.997 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)c1ccco1 1614028158 SUKYZNOELIWINR-OAQYLSRUSA-N 407.478 1.934 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(N)=O)(c3ccccc3)CC2)c1 1615522681 ANDKOZUUOTYNIU-UHFFFAOYSA-N 404.470 1.835 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)[C@@H]1C 1616747242 DTPGMCXVKRWDRG-DOHHPOSVSA-N 421.519 1.581 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(C#N)cc2)C1 1618466512 AHYOEEBDMGEBGC-JOCHJYFZSA-N 405.506 1.858 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619796187 FPSHNMWBHDONSX-HEWTWTGNSA-N 416.526 1.965 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1)C1CCOCC1 1622379488 AOTBUTUGRFPACZ-SFHVURJKSA-N 414.549 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849463 AENNLRLQLZTMSK-HRAATJIYSA-N 415.494 1.362 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(Br)c1 1624550705 AOESTELJEHVRFH-KGLIPLIRSA-N 403.298 1.577 30 10 HDEE C=CCN(CCC#N)C(=O)c1ccc(I)cc1-n1cnnn1 1628429442 DSJZIIOBXVBIDF-UHFFFAOYSA-N 408.203 1.809 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)CC2(C)OCCO2)s1 1628691643 ZIUWNPKRSGWBBI-CYBMUJFWSA-N 402.538 1.660 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](CCCO)C1 1629834513 HWRLYUINIUSBBK-RDJZCZTQSA-N 407.536 1.905 30 10 HDEE CCc1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nn1-c1ccccc1Cl 1630030291 AVUAZJDRVMXNHT-UHFFFAOYSA-N 413.825 1.047 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN1C1CCCC1 1631555558 NOYGQMJWOCZUFW-MRXNPFEDSA-N 404.536 1.638 30 10 HDEE CNC(=O)c1ccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1632252787 DGSOQQPGKNTYSS-UHFFFAOYSA-N 415.457 1.665 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@@](C)(C(=O)OCC)c1ccc(S(C)(=O)=O)cc1 1634151882 UGIOCCCTTNDAGE-LJQANCHMSA-N 411.476 1.494 30 10 HDEE C=CCOc1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1OC 1634510688 QESXQANLJMHZQA-KRWDZBQOSA-N 419.503 1.996 30 10 HDEE CCc1ccc(C(=O)NOc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1635506966 XLLZPEYPMPXZRZ-UHFFFAOYSA-N 415.471 1.865 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)c3cccc(C#CCO)c3)C2=O)c(OC)c1 1636092005 QBXHHSCVDKSETF-HXUWFJFHSA-N 408.454 1.579 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(F)(F)OC(F)(F)C2)s1 1638737444 VYBIUVPSICOLAZ-UHFFFAOYSA-N 402.391 1.799 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1638851574 XYQHPOYZKMJQOW-HNNXBMFYSA-N 415.515 1.968 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)/C=C\C(=O)c1ccc(C)cc1)CCS2(=O)=O 1640208864 XJKXDDCVXXYJSL-XEBFHHLCSA-N 419.499 1.749 30 10 HDEE Cc1cc(=O)oc2cc(N(C)C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)ccc12 1640260030 OCPJGEAIYAUZLB-UHFFFAOYSA-N 411.439 1.914 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)CC2)c1 1644167154 DMCYBXZALYZBPX-NRFANRHFSA-N 424.476 1.569 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C[C@H](O)CCO3)s1 1645205158 LMPNKIZFACZLIP-CQSZACIVSA-N 414.549 1.287 30 10 HDEE CCn1cnc2c1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1646444925 HDJAXBSFAOQXOL-INIZCTEOSA-N 406.446 1.565 30 10 HDEE CCc1c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1647933199 SYPAQXDAMIREMC-UHFFFAOYSA-N 418.457 1.003 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(CC)COC3)nnc12 1648790069 XNPRMCBFRIAAOY-UHFFFAOYSA-N 413.503 1.865 30 10 HDEE COc1ccc(Cl)cc1NCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653760307 VAEWDDTXODQKBP-UHFFFAOYSA-N 403.826 1.368 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)nn1 1656352170 DOHUKHQAIIOTNM-UHFFFAOYSA-N 415.422 1.842 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1657747733 YDOODIBOPWSNBJ-QGZVFWFLSA-N 402.495 1.256 30 10 HDEE C#CC[C@H]1CCCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1659142980 YSPOCNRDKLOKHA-UXHICEINSA-N 417.575 1.952 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1667597936 DGYKTQZEVFMKQI-MRXNPFEDSA-N 422.551 1.823 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 1671562235 QHJRQNBJIYSVIK-HNNXBMFYSA-N 416.507 1.039 30 10 HDEE C=CCc1cc(CNC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc(OC)c1OC 1676275040 MVVQJTSIEAGEQG-QGZVFWFLSA-N 417.506 1.605 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1676430019 VYJPJKWLMIFIOR-GJZGRUSLSA-N 403.483 1.347 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 1677537583 FMGJHBJIEXZWHD-UHFFFAOYSA-N 408.296 1.739 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)[C@@H]1CCCO1 1686184648 NHLRAJYEABEYQS-FWKXQSBZSA-N 420.506 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC1 1689824117 IJCYSDWTMMAWPJ-INIZCTEOSA-N 402.543 1.519 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CCCCC1 1689943652 YOTGODMOXBHUBI-UHFFFAOYSA-N 414.554 1.619 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690015764 XEEASHGGQZFGAD-UHFFFAOYSA-N 408.506 1.873 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1690058520 YDKWMHFSVZPVMB-UHFFFAOYSA-N 418.523 1.598 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1 1690102993 ZNKOJMHVIALPLQ-INIZCTEOSA-N 413.478 1.381 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690299371 PHPQKRWVJOIRFM-QZTJIDSGSA-N 402.543 1.839 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1690313558 XIWTTXFAXQGOHJ-HNNXBMFYSA-N 401.533 1.050 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690481723 NOHFXRWGDLISEJ-CYBMUJFWSA-N 409.512 1.841 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)CN(C)C1=O 1690615419 DLURVIDOUNWNEJ-NRFANRHFSA-N 413.478 1.791 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](COC)C1 1690663111 MHQPMSIUZQIZPF-MRXNPFEDSA-N 411.462 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC2(C)CC1C2 1690714961 ZNWVFBHOLDGGTQ-UHFFFAOYSA-N 409.556 1.786 30 10 HDEE Cc1nnc(N2CCC[C@H](C[C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693495904 QIYHVAZNTGHANA-NNGLLJABSA-N 414.510 1.756 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1696030483 FZHSKUAQGDVQOE-UWJYYQICSA-N 420.558 1.515 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)NC(C)C)cc1 1697338179 BHRLLNDVKVWEFB-OAHLLOKOSA-N 420.539 1.877 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1697682516 XYEWEGNVAZLEEL-KMMUBBLQSA-N 400.483 1.543 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1705560342 FZFHCJAHFOBMFP-GOSISDBHSA-N 400.504 1.391 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1705571908 KWCKXQZGPLMGAF-BBWFWOEESA-N 408.524 1.039 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOc2ccccc2)CC1 1705638590 PWROMZSQQPSDNE-UHFFFAOYSA-N 403.490 1.959 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCC(=O)NC 1705695765 ZCTZQHRTGUBBBB-WMZOPIPTSA-N 418.542 1.458 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705706258 RKICDFBVYCWOEF-SJLPKXTDSA-N 409.556 1.293 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1705800481 YLQZZKIICVWTBN-KRWDZBQOSA-N 401.515 1.875 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705946046 XVAOEFUBUDWFKD-HZPDHXFCSA-N 406.556 1.995 30 10 HDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1709674564 BHHJLNRBMTWWHR-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1710423859 LIUFUDULFIJQNJ-BXTJHSDWSA-N 404.515 1.441 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1710789073 IJJGMEIYNKYXRT-HZPDHXFCSA-N 423.539 1.116 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1722279647 PTJMTNNBZNVMOS-CYBMUJFWSA-N 404.540 1.775 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1722296645 SWZDKNFWZPIGSW-ZFWWWQNUSA-N 402.476 1.415 30 10 HDEE C#CCN(c1nnc(C)n1CCCOCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722364223 JYJSCXWONJIWFL-HXUWFJFHSA-N 416.547 1.863 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1722398356 WQLHCHOUJWWBLZ-GOSISDBHSA-N 420.473 1.919 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1722474843 QBWMDRXZFZYPLG-IUODEOHRSA-N 421.445 1.165 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722525974 MWZAHQWJEGRPDL-OTWHNJEPSA-N 405.543 1.879 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cccs1 1722692854 ZBPLMJDHQKRAJP-UHFFFAOYSA-N 402.524 1.557 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccn2C(F)F)C1 1722709166 KIWRQZYOGCILJC-CQSZACIVSA-N 421.452 1.935 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)COCCO2)C1 1722711784 WLHFREZZTOMAKS-UIFIKXQLSA-N 422.526 1.517 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1723925804 KHZIZDAACODPLW-YPMHNXCESA-N 418.470 1.052 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CC=CCC1 1727603132 LXZWTTCLNQMKON-UHFFFAOYSA-N 409.542 1.343 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2nc(C)no2)CCOC1 1728794049 DJXPTZCCEQAAQH-RTBURBONSA-N 419.461 1.696 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1 1740598755 BYVBGWOLAKLLNJ-UHFFFAOYSA-N 409.494 1.643 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1740771691 MCZUBTZECATHRR-UHFFFAOYSA-N 405.524 1.682 30 10 HDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1740795510 WJKRARKLMHBWPU-UHFFFAOYSA-N 404.559 1.787 30 10 HDEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1748739915 IQVGULQVJUEWQZ-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1CCN(C(C)=O)CC1 1748784715 FWUMAOIOMJBXSC-UHFFFAOYSA-N 419.489 1.922 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CC1 1748917398 WZZYIBCGZLKADI-LJAQVGFWSA-N 410.507 1.291 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOC)CCCC2)CC1 1748991210 SQGCUAYXCOWJKD-GOSISDBHSA-N 414.554 1.581 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2OC)CC1 1748994505 JDPQWKNTYPCJJE-UHFFFAOYSA-N 422.533 1.407 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cccs2)CC1 1749001279 OYIOTUXUOPSFQW-WMZOPIPTSA-N 401.536 1.867 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1749010113 NONNOQNSZBDOLQ-QGZVFWFLSA-N 419.551 1.089 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCSC2)CC1 1749019567 ZLRWDOKJHUWVCP-NVXWUHKLSA-N 403.552 1.849 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1nccs1 1749729177 CZCFSZVZIHCGCN-UHFFFAOYSA-N 406.537 1.977 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1750154134 GZHKAHXOLQMXEG-MHORFTMASA-N 404.515 1.071 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1752416426 DZGRGBQPWVNIPO-HNNXBMFYSA-N 410.478 1.480 30 10 HDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCOC1(C)C 1752437850 LWSFARVNPHETFC-HNNXBMFYSA-N 407.482 1.897 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(Cl)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1760181508 WLEFRMIYNJIPFG-HNNXBMFYSA-N 408.911 1.924 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1760190724 XZOXDIOETGTELK-HNNXBMFYSA-N 402.524 1.798 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1760200725 BCCWKDIAKNNRPS-HSZRJFAPSA-N 400.486 1.988 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1760233307 KJWRLVKEXQBLHC-KDOFPFPSSA-N 408.549 1.609 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F 1760249531 NJAKHVYPKXKBIC-ZDUSSCGKSA-N 408.446 1.609 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(N(C)C)CCSC2)CC1 1760258358 UELLUVXIEBCDOG-NRFANRHFSA-N 413.595 1.476 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760277454 LIKNXCDHCBOBGK-HOTGVXAUSA-N 424.534 1.901 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCOC2(CCOCC2)C1 1760281635 PEDMAXREGFVGMK-QGZVFWFLSA-N 406.552 1.924 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1 1760340977 VAIQMAVSACPIJM-LJQANCHMSA-N 417.602 1.829 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC1CC1 1761867908 HFVXOMNGIXVDPY-MRXNPFEDSA-N 422.537 1.911 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1768633309 DZBXNRSUFXNGPB-MSOLQXFVSA-N 415.519 1.725 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOC2=O)CCO1 1770747891 KRJMPIXKKQAFDC-CQSZACIVSA-N 417.857 1.565 30 10 HDEE COC[C@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)OC 1770780362 CNAOVACBESYCGX-CABCVRRESA-N 405.430 1.386 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1770989024 YKZYIPKQXJRUSL-USNOLKROSA-N 421.542 1.920 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cl)nc1 1771111781 WHPXQLVJLOSZMJ-CQSZACIVSA-N 403.874 1.692 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC1OCCO1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792742 GIUHJBQOPWSFQJ-CYBMUJFWSA-N 406.391 1.397 30 10 HDEE C=CCC1(S(=O)(=O)NCc2nc3ccccc3n2CCN2CCOCC2)CC1 1848469490 BPYXXKGVCUMUGP-UHFFFAOYSA-N 404.536 1.897 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(=O)N(C)CC2)[C@@H]1c1ccc(C#N)cc1 1849832725 UJWLVDGMKLCZLV-VQTJNVASSA-N 414.531 1.642 30 10 HDEE N#CC1(CNC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)CCOCC1 1849916391 BFZRRAHULSYOHR-UHFFFAOYSA-N 413.522 1.433 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OCCN2CCOCC2=O)CC1 1850566877 BRLVOGQAXWRGPN-UHFFFAOYSA-N 408.458 1.725 30 10 HDEE Cc1ccc([C@H]2[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC(=O)N2C)cc1 1851111999 KGXVSWXUKNERCK-QUCCMNQESA-N 404.474 1.525 30 10 HDEE CCOC(=O)N1CCC[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851772126 GFDVTZSBMISPNH-QGZVFWFLSA-N 401.467 1.239 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)NCc2ccnc(C#N)c2)CC1 1851871992 JRNRUBUEIZKHBR-IRXDYDNUSA-N 413.478 1.285 30 10 HDEE C#CC[C@H](C)C(=O)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1851874595 SCLGEGUHSPMMPZ-HNNXBMFYSA-N 413.499 1.239 30 10 HDEE COc1cccc(-n2nnc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2C)c1 1852438861 RZZIOFAUZANSHM-KRWDZBQOSA-N 406.402 1.828 30 10 HDEE CN1CCN(C(=O)CCC(=O)Nc2c(-c3ccccc3)cnc3c(C#N)cnn23)CC1 1852833909 MOFYMHWLINUFAI-UHFFFAOYSA-N 417.473 1.761 30 10 HDEE C=CCC1(S(=O)(=O)NC(CN2CCSCC2)=NOC[C@H]2CCCO2)CC1 1853500327 NWQMCDWAMYWCHZ-OAHLLOKOSA-N 403.570 1.572 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCOC[C@@H]3c3cccnc3)CCC2=O)ccn1 1853810942 OHLOITWXRAOBJU-OXQOHEQNSA-N 405.458 1.801 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)[C@H]1C 1854311110 HLMHCGJIOOBELZ-QGZVFWFLSA-N 419.547 1.723 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N(C)CCC#N)C2=O)cc1 1854339091 SWRQLIGSJXFIJF-SFHVURJKSA-N 420.535 1.694 30 10 HDEE Cc1ccc(Br)cc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854693973 LTRBLMRMRTZXFI-LLVKDONJSA-N 414.281 1.284 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c(OC)c1 1854957375 XMLZUVSSNBKNMC-DLBZAZTESA-N 414.506 1.755 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)COc3cncc(Cl)n3)C1=O)CC2 1855010574 QMCLPTXROOZHDO-KGLIPLIRSA-N 403.870 1.652 30 10 HDEE Cc1ccc2nc(CN3CCC([C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)cc(=O)n2c1 1855621671 JGJWICRUQRTESA-QGZVFWFLSA-N 407.474 1.504 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCCN(C4COC4)CC3)CCC2=O)cc1C#N 1855837713 NGWAKCCACWKFKE-SFHVURJKSA-N 410.518 1.652 30 10 HDEE CN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)CC1=O 1855860927 BHDNDLUITFYPHC-MSOLQXFVSA-N 408.502 1.397 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccn(C)c1=O 1856102450 SXLGQUIBKZMTCZ-UHFFFAOYSA-N 415.471 1.311 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1=O 1856747965 CIZZSDGMVOSVNU-GJZGRUSLSA-N 403.504 1.801 30 10 HDEE COCCN1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856830106 SBYNLXQLFRPZCR-INIZCTEOSA-N 404.898 1.411 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)Cn2cnc3ncccc3c2=O)c2ccccc21 1856973944 XUPSODDQHPLQDR-UHFFFAOYSA-N 402.414 1.475 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3Cc4ccccc43)C2)CC1 1857035799 BUOYVUWNPJVZFL-SJLPKXTDSA-N 401.488 1.267 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccccc3Cl)C2)CC1 1857041820 NCQXGGXEMLKCQH-MRXNPFEDSA-N 423.922 1.823 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cccc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857068975 SHLOQMMCWXAOBL-AZUAARDMSA-N 413.518 1.722 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CSc3ccccc3)C2=O)CC1 1857070481 OFMMBIDYPXLYND-LJQANCHMSA-N 421.526 1.995 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1857491204 ZLGWPLWQPZTHFZ-RTBURBONSA-N 419.547 1.865 30 10 HDEE COc1ccc2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)c(C#N)cc2c1 1858204587 ANWKNPXCEWWFGR-AWEZNQCLSA-N 405.501 1.853 30 10 HDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861609807 PTDIBYDGZWKORE-SPLOXXLWSA-N 401.463 1.413 30 10 HDEE N#CCc1ccccc1C(=O)Nc1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 1866214826 LJPMAQZCMCCKLQ-GOSISDBHSA-N 402.410 1.766 30 10 HDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(O)cc1 1869933709 MWVXQLIIDGSNQB-MRXNPFEDSA-N 419.528 1.869 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870671158 PBAAQBZOOJAWBP-CALCHBBNSA-N 408.495 1.602 30 10 HDEE N#Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)cc1 1871337509 KKJKJLGLXQOUHP-UHFFFAOYSA-N 401.444 1.597 30 10 HDEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593030 BWDODYOXPQGVGH-AWEZNQCLSA-N 401.467 1.071 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(O)cc2)cc2c(N(CCO)CCO)ncnc21 1873595942 ZATRCCFQGJJFAZ-UHFFFAOYSA-N 411.462 1.044 30 10 HDEE C[C@H](Oc1ccccc1F)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889404439 YTGWGGJILWRTFW-IBGZPJMESA-N 417.525 1.851 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)c1 1890899527 TXAAWZKRPRXTMU-ROUUACIJSA-N 412.490 1.598 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCOCC1 2054407342 FCRBWFIHZBNDLW-KRWDZBQOSA-N 407.492 1.637 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC(=NO)C2)C1 2108229505 UKEBYALKSBHCSL-OYKVQYDMSA-N 423.466 1.657 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)s1 2110096729 YNERHHVEASFEPE-UHFFFAOYSA-N 401.344 1.738 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 2174784215 LSJSCFXOPALOSD-INIZCTEOSA-N 402.561 1.644 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247839112 SBFXWVLVHYTNRM-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE Cc1c(C(=O)N(Cc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247920195 VNIDZVRCORRVBC-UHFFFAOYSA-N 410.327 1.642 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2248035520 NUZMHFYPUDKJCI-OAHLLOKOSA-N 422.287 1.925 30 10 HDEE CSC[C@@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267702721 KUBKPCZVGMRFDP-NSHDSACASA-N 406.404 1.861 30 10 HDEE COC[C@@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282304613 MTVDYHABGIGHQA-INIZCTEOSA-N 405.347 1.031 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](N)C(F)(F)F 2282314997 IDBBGPARMZXJFF-SNVBAGLBSA-N 414.280 1.524 30 10 HDEE CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331539 OVJLFRHIKKKZHR-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCCC[C@H]2CO)OC1(C)C 2282336908 HUPGIZIEFQRSOC-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CCN([C@H]1CCC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337034 DHYKAWPMHMKQEP-KBPBESRZSA-N 401.359 1.971 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](CN)C2)c1B1OC(C)(C)C(C)(C)O1 2282490765 KTDLWYABYFAFJJ-CYBMUJFWSA-N 400.375 1.633 30 10 HDEE CC(C)(C)[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837674 GHSRCISPUCQCBM-GFCCVEGCSA-N 404.363 1.269 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839231 AUDARFFYXKWIDO-CHWSQXEVSA-N 400.375 1.856 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](CO)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839575 FZPWFHWFXRAOKU-STQMWFEESA-N 401.359 1.747 30 10 HDEE CN(C)C(=O)OCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282869774 IFMAHOUBYHSPDP-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE CN(C)CC1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCC1 2282872864 CLLONZBDZZEILL-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CC[C@H](CN)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282878440 GEVFSOVQXCQSDQ-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C(=O)O 2284405000 FCARHTUZKFDBNC-LBPRGKRZSA-N 401.315 1.531 30 10 HDEE CS[C@H](C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415265 WVJIVDGRWWRTDK-BXKDBHETSA-N 421.371 1.530 30 10 HDEE Cn1nnc(Br)c1[C@@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2296290859 IBFVJFSREKXPAM-PWSUYJOCSA-N 400.074 1.753 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=Nn1c(SC)nnc(C)c1=O 2321647007 KQBIZPZFJUZVGR-UHFFFAOYSA-N 417.447 1.836 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1nc(Br)nn1CCOC 2328405601 VGSSLHIEIGIBIX-RYUDHWBXSA-N 416.320 1.994 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1ccccn1 2330718552 DVZSSDZETFRJKU-UHFFFAOYSA-N 409.475 1.922 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1cccc(O)c1 2330785619 VRPFKAQOQXMATD-UHFFFAOYSA-N 405.480 1.793 30 10 HDEE CC(C)(C#C[C@@]1(OCC(=O)O)CC[C@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2339703636 RNVXOMNPWABHBO-UZLBHIALSA-N 423.487 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367798351 QHDASJZWDGLSAB-OAGGEKHMSA-N 401.525 1.780 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367830049 FTXSZYSKLAKZIV-SPYBWZPUSA-N 400.541 1.292 30 10 HDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc3c(cc21)OCO3 44361119 KERZFSLJUPYMIZ-SHYALIGYSA-N 409.489 1.469 30 10 HDEE C/C(Cl)=C\Cn1/c(=N/N=Cc2ccccc2O)[nH]c2c1c(=O)n(C)c(=O)n2C 263631407 XPWCVNPKXNPAAT-FVAQEYPFSA-N 402.842 1.150 30 10 HDEE C[C@H]1CN(CCC2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C[C@H](C)O1 301567224 QGVSRELTEDNPOO-HOTGVXAUSA-N 406.552 1.921 30 10 HDEE N#C[C@]1(c2cc(F)c(I)cc2[N+](=O)[O-])CCS(=O)(=O)C1 312582153 KQFXKXYYSVSDOF-LLVKDONJSA-N 410.164 1.918 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 409477068 VXFJVVUBUNYAJE-OAHLLOKOSA-N 416.507 1.196 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)n1 467136779 OMOVPAJXPAOAMK-UHFFFAOYSA-N 408.434 1.203 30 10 HDEE CCN(CC)S(=O)(=O)CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 468918711 HGLYQJAFKQWGHL-HNNXBMFYSA-N 410.521 1.070 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c1C#N 473448364 LFFAXDFMZUQSBE-SJLPKXTDSA-N 413.455 1.572 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c1 473451022 UEEYSYJORVSCQX-MSOLQXFVSA-N 413.455 1.404 30 10 HDEE N#Cc1cc(C(=O)NC[C@@H](Cc2ccccc2)NC(=O)c2ccnc(C#N)c2)ccn1 475167397 BVISSUYGMDRLRQ-OAQYLSRUSA-N 410.437 1.991 30 10 HDEE COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1OC 481526626 GZSYJBGFWSLMQC-LBPRGKRZSA-N 419.459 1.890 30 10 HDEE CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCN1CC(F)F 498803621 JHITZONSCXFTEH-HNNXBMFYSA-N 414.478 1.598 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)O1 503167057 VRCXRAMGLWUJLT-ZIAGYGMSSA-N 421.479 1.282 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-n3cncn3)nc2)cc1 503703680 LLMNQTRHAHPBCR-MRXNPFEDSA-N 405.443 1.688 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 508761330 GMYWZJDRGJSRFL-IBGZPJMESA-N 410.492 1.330 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 510176295 JSSWLJIKTHGHPK-JTQLQIEISA-N 413.301 1.803 30 10 HDEE CCc1c(C(=O)N(Cc2ccc(C#N)cc2)C2CC2)cnc2c1c(=O)n(C)c(=O)n2C 513691385 BYJPMYSTQRQHOX-UHFFFAOYSA-N 417.469 1.871 30 10 HDEE CO[C@H]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540344865 WQXSLMFKBUBFOS-SJORKVTESA-N 406.508 1.389 30 10 HDEE CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)n1 546059432 JPTDFBSCAKRFMG-HNNXBMFYSA-N 411.528 1.698 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1 586860049 QPFINAKEELDEPW-UHFFFAOYSA-N 423.448 1.096 30 10 HDEE Cn1c(N/N=C/c2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 606629524 AHWLOAMKJZBRLF-FOKLQQMPSA-N 423.864 1.976 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 727626064 RUWKKKRJYQUHNB-QGZVFWFLSA-N 400.460 1.354 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)c1 729426645 WZWGUPQCCUCEMG-IAGOWNOFSA-N 408.545 1.725 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 732057292 MEYUGWMGWOYCBG-DJWKRKHSSA-N 406.446 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732454633 HZUHJTFQPQBYTE-HYEKCJMVSA-N 421.498 1.602 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 735774019 SXQBETQQFVCLCI-AWEZNQCLSA-N 420.447 1.253 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 742144067 RWAFPCUHJAQREC-MRXNPFEDSA-N 417.437 1.759 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)NC2CCS(=O)(=O)CC2)cc1OC 746589479 UDBHXYCHIAVAIF-UHFFFAOYSA-N 412.508 1.918 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 749074744 QHZJOIVFPPZVGY-UHFFFAOYSA-N 421.519 1.697 30 10 HDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1F 751672876 YDVGUTBENSOAFX-WBVHZDCISA-N 422.526 1.922 30 10 HDEE Cc1ccnc(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)n1 754535936 CDVDMVLPMHRBCE-UHFFFAOYSA-N 413.503 1.997 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)c1nc[nH]n1 756089419 OZKXISCWMFNPNB-KRWDZBQOSA-N 410.459 1.139 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCNC(=O)OC(C)(C)C 756932595 HZOVOBWDAOGHQD-AWEZNQCLSA-N 403.487 1.483 30 10 HDEE C[C@]1(c2ccccc2F)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552896 UCUCIQMGTHVFDR-OAQYLSRUSA-N 408.437 1.639 30 10 HDEE COc1cc(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 760562934 YIGLXGZLBSGCHQ-CYBMUJFWSA-N 400.298 1.819 30 10 HDEE C#CCN(C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 772122685 YGGNWIHOXGFGEP-LSDHHAIUSA-N 416.565 1.378 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCO1 773323996 ATMIAHGXTSRLFF-KRWDZBQOSA-N 404.467 1.872 30 10 HDEE C#CCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 774170961 JTPOSILUIPQRKW-VQTJNVASSA-N 403.548 1.655 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774221628 RYIBHBFDJXAPKF-WMZOPIPTSA-N 405.520 1.496 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2)[C@@H]1CCS(=O)(=O)C1 774240033 GXWQMKCFFPKJQD-FRFSOERESA-N 419.503 1.689 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 780863276 RIOUKAWYTQETEV-MOPGFXCFSA-N 412.877 1.616 30 10 HDEE C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(=O)N(C)CCC#N 796422438 FOSKRLFOKKXUKG-LXZKKBNFSA-N 403.483 1.412 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)C1=O 799026387 JPEBQLIPNLBERY-HNNXBMFYSA-N 403.483 1.562 30 10 HDEE C=CC[C@@]1(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 804732613 VBSMGPXPKSRFHS-QPDBELLOSA-N 420.510 1.969 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1C 917779903 PCVAHNRMMWUIBL-UHFFFAOYSA-N 422.510 1.793 30 10 HDEE CCN(CC)C(=O)CSc1nnc(NN=Cc2ccc(C(=O)OC)cc2)n1N 1084619125 XPDQJWGJFURXFS-UHFFFAOYSA-N 405.484 1.185 30 10 HDEE Cc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1N1CCCS1(=O)=O 1116178021 HPTCSQYDEKHJDG-VHEBQXMUSA-N 418.475 1.390 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OC 1132197100 NAZIOIDCVGHDBH-VLIAUNLRSA-N 403.435 1.086 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)c(OC)c1 1139226981 HKFZDOVGTVYLMG-OAHLLOKOSA-N 413.430 1.492 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CC(F)(F)CO)CC1 1143940123 VHHWCOQKXAWGPP-UHFFFAOYSA-N 406.433 1.823 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1146271750 UZMZRHJFPJNWKK-HOCLYGCPSA-N 407.341 1.990 30 10 HDEE COC(OC)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 1155486836 HSGYKJFTTAPAGE-SFHVURJKSA-N 417.487 1.887 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCn2cnc(C(=O)OCC)c2)c1 1156471924 YKHXOQPJCQFWBN-UHFFFAOYSA-N 403.460 1.287 30 10 HDEE COc1ccc2c(c1)C(=O)N(CC(=O)N1CCN([C@@H](C#N)c3ccccc3)CC1)C2=O 1166481044 RTFGBHSNSAILPS-FQEVSTJZSA-N 418.453 1.700 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C[C@H](O)CC#N)CC[C@H]32)CC1 1171142617 GXTNOWFJQUJSAO-IXDOHACOSA-N 407.515 1.129 30 10 HDEE COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 1175485690 OOLVCLFOGBAOIW-CQSZACIVSA-N 410.496 1.089 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1 1195876991 QMQRAFPMTMKZFP-GOSISDBHSA-N 402.476 1.118 30 10 HDEE C=C[C@H](C)ONC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1230571301 KWGPDVHVEYBIAQ-NSHDSACASA-N 406.302 1.841 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1286289260 KWEBRJIOJCMQHA-HNNXBMFYSA-N 412.519 1.891 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1286349388 IMNNHMGHFXKDOL-RDJZCZTQSA-N 421.523 1.815 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1286374680 OSZSNCWMBKGCKM-KKSFZXQISA-N 411.510 1.061 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)(F)F 1286379130 HMTZMXFMGAYWCB-UHFFFAOYSA-N 422.411 1.854 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286716396 DRPGEKDDEDCTNT-OAQYLSRUSA-N 407.559 1.788 30 10 HDEE C#CC[C@H](COC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1287424160 SUFPWQPBJUPTMO-IEBWSBKVSA-N 406.504 1.587 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N(C)C)CCOC1 1288301056 JFIGYEHCLCZKDX-FQEVSTJZSA-N 404.515 1.537 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 1293032755 OMKOKELFIBJNDP-NXOOQTOKSA-N 418.494 1.665 30 10 HDEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297983605 VOSJFONSYKIJDX-DLBZAZTESA-N 401.515 1.175 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@@H](C)C1 1300545480 PQUMEQKFLKFJCV-HXUWFJFHSA-N 410.566 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1300578585 MXRBVAMWNIYCDY-OAHLLOKOSA-N 417.560 1.710 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCN2CC)CC1 1300682357 GQUOIQKJDIGOLB-RTBURBONSA-N 404.559 1.242 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300756049 CVSJRBNPNTUQFF-CQSZACIVSA-N 400.512 1.054 30 10 HDEE C#CCSCCn1c(N2CCN3CCCC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300778467 WWVHJMWWJIBEFE-WIYYLYMNSA-N 419.595 1.971 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301060194 CELLHVWGTZFOFA-XJKSGUPXSA-N 404.920 1.306 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1301452631 VNFLLRPFGWXMTN-UONOGXRCSA-N 400.487 1.244 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301458595 CSEKQEPMMHELAE-ZIAGYGMSSA-N 409.537 1.709 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301475763 XSYYNRNPEFEQHQ-QXAKKESOSA-N 402.543 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2OCCC2(C)C)C1 1301555823 DLDHBQXSBSBXBL-ZACQAIPSSA-N 424.567 1.777 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CC)C1 1301558218 UDXHIIHDDHZWIO-RCCFBDPRSA-N 423.583 1.446 30 10 HDEE COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301837881 CCGLDUOJBNTEBJ-UHFFFAOYSA-N 404.478 1.504 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1302451448 HQYIBHGVILSWQJ-UHFFFAOYSA-N 423.521 1.551 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@@H]3C)ccc2F)C1 1304596206 MVFDIIUYNICKFD-AWEZNQCLSA-N 414.458 1.786 30 10 HDEE Cc1nc(=NC(=O)c2c[nH]nc2I)n(-c2ccc(C#N)cc2)[nH]1 1306607529 QKORUHCIOXAKPW-UHFFFAOYSA-N 419.186 1.449 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1308127478 AUGHVRLBGWFXSX-LVCYWYKZSA-N 414.531 1.809 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1310105247 IOQCJHJSURXITR-ZBFHGGJFSA-N 411.480 1.181 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)C1 1313291362 JRMORGFDWATHBX-KZNAEPCWSA-N 408.543 1.655 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1316263730 IGYVTSVTQVWQIE-VQIMIIECSA-N 415.494 1.720 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 1330269879 GYIFFMIYNUYBRX-ZCXUNETKSA-N 404.448 1.082 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)N1CCOCC1 1358931350 YDAIZCOLCGFWKS-UHFFFAOYSA-N 417.460 1.856 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1358959096 BLFAWLUYFLHNOX-KRWDZBQOSA-N 402.520 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1358978788 USWSFLDHHQAQFL-SFHVURJKSA-N 412.515 1.501 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC)N2CCCC2)CC1 1359028672 ZZRZYTOKNZAUKL-IBGZPJMESA-N 413.570 1.144 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2CC(F)(F)C2)CC1 1359044589 JTNOXJVOFQXITQ-INIZCTEOSA-N 407.465 1.793 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1359049330 MTCWJDNIDMMLMU-RFBLXINOSA-N 409.581 1.489 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1359076869 NUXSYHQGQFKMGK-GHMZBOCLSA-N 408.322 1.022 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1359097389 OIEZRLJBURJWMP-GJYPPUQNSA-N 416.526 1.302 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCOCC1(C)C 1359281682 GZAZAHSSIPOHBT-GOSISDBHSA-N 407.559 1.922 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 1439560311 OUWILHYTYBNNGS-UNEWFSDZSA-N 412.446 1.563 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1453210721 DPTVKQOPMAXBKE-CQSZACIVSA-N 414.487 1.178 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1454714868 BRUREAMFGJNAFP-CABCVRRESA-N 412.512 1.051 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)CC1 1460026081 HBROHPHAEAVHQO-ZACQAIPSSA-N 415.490 1.658 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1462684004 HEZSCDCJJUXEGY-UHFFFAOYSA-N 403.501 1.402 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC(F)F)c1 1463722474 WRULIFZNDZWRMH-HNNXBMFYSA-N 415.462 1.527 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 1464944790 BUWNLOITQPCSOS-HNNXBMFYSA-N 407.540 1.222 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 1465374113 MUYCBUJUBMVOBV-UHFFFAOYSA-N 420.535 1.005 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(Cl)cc2OC)CC1 1467358333 FDYZKVZZXOETGC-UHFFFAOYSA-N 404.851 1.105 30 10 HDEE C=CCOCCNC(=O)N1CCC(n2nncc2I)CC1 1470909268 ISHHWUACAIHYFY-UHFFFAOYSA-N 405.240 1.432 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1nccn1C)C(F)(F)F 1472438301 KXUQLTOFZHPQTC-MFKMUULPSA-N 415.397 1.378 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 1475242637 VIBQJYFDUHSHQZ-CABCVRRESA-N 401.529 1.434 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1502727547 AZHXLECYUUNEIW-FXAWDEMLSA-N 415.498 1.025 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1507554843 ZVDUBXJKHLEZQF-SFHVURJKSA-N 418.505 1.905 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507560280 FRKYVQBLOUGUTQ-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1507589339 KAZUIYQUIPKHQS-UHFFFAOYSA-N 421.505 1.225 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507610009 CTVDUBRSDXOQDC-CABCVRRESA-N 401.433 1.505 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1507620649 UFWRNOWYIHAUMS-UHFFFAOYSA-N 410.503 1.312 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507622291 CYYQUWCSUQTBEY-MRXNPFEDSA-N 423.583 1.725 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(F)CCC2)CC1 1507733662 HKYRCWLRWQWDGN-UHFFFAOYSA-N 418.517 1.664 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC(=O)N(C)C)C1 1508132140 RHPQAYRNHGILHE-SFHVURJKSA-N 415.542 1.789 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1508159166 LMPKLAWTJNJBHY-MRXNPFEDSA-N 408.572 1.943 30 10 HDEE Cc1cnn(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1511424690 RGZXAKBLYGDNRV-YLJYHZDGSA-N 415.498 1.253 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1514699841 SMMUSNWBUKOLGX-VNQPRFMTSA-N 418.498 1.617 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C(C)(C)C 1532731911 BSJMEBZKUQMQJA-QGZVFWFLSA-N 417.535 1.822 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O)C(=O)OCC 1535092481 XYUAKXVKRYZQDC-ZDUSSCGKSA-N 414.867 1.655 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CCO2)cc1 1536666051 QFTJJLFFDXETDY-UXHICEINSA-N 403.438 1.977 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2OCC#N)ccc1OC 1538839602 CZVPCHNUCMCFEA-UHFFFAOYSA-N 419.459 1.775 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)[C@H](C)COC 1538864761 SUPIYXGAYVRTMX-QVKFZJNVSA-N 403.479 1.820 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncccc1N(C)C 1539238328 VTQUYDHWXDJYOQ-QFIPXVFZSA-N 408.506 1.512 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CC(OCC)C1 1539251284 AJRAIAXKNPMYAW-UHFFFAOYSA-N 408.458 1.677 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1539417771 SXASWDXBEJBDGD-UHFFFAOYSA-N 419.551 1.563 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC1 1539447106 OCOIQIUBIMPUCN-SFHVURJKSA-N 409.538 1.437 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOCCC(C)C)CC1 1539459345 FDXZEFCPTNHPCH-UHFFFAOYSA-N 402.543 1.218 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(C)(C)C(=O)NC)CC1 1539460104 WJLCVJHHVUHGHO-UHFFFAOYSA-N 424.549 1.693 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539520131 NURKVHNNGHWIMO-FUHWJXTLSA-N 410.547 1.687 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC 1539539617 WCLSOPSEAHUPTM-MBOZVWFJSA-N 422.599 1.755 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1539556361 BRGZUXQIBPESIR-VQIMIIECSA-N 421.567 1.793 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539586186 JCFRKRFGKPUJSN-ZIAGYGMSSA-N 403.284 1.964 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539621818 TUVMFSZNAAVWAP-BZSNNMDCSA-N 412.556 1.598 30 10 HDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC(N)=O 1539801688 GDQRSJPXTWKXFD-CQSZACIVSA-N 418.933 1.905 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)NC(C)(C)C)n[nH]2)c1C 1540847752 MVUHIHPPQINODM-UHFFFAOYSA-N 408.528 1.524 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541803805 MVOFEJDCNDROOQ-BZUAXINKSA-N 410.544 1.192 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)C1 1541987882 HLUCDUJKAONGBL-UXHICEINSA-N 402.499 1.450 30 10 HDEE Cc1cccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1542233973 HGVWTNQIIUSKFC-WMZOPIPTSA-N 412.494 1.921 30 10 HDEE CCc1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546485759 NPFUUMVQRXGLDI-VXPUYCOJSA-N 414.510 1.762 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1546532921 GPYDXZABZUPWJZ-RBUKOAKNSA-N 401.559 1.254 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1554316638 SLPLFZPSPUVAKO-UHFFFAOYSA-N 414.535 1.559 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1554516743 IDCIXEJXNLRDRL-GOSISDBHSA-N 405.462 1.988 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCc3c2cnn3CCO)s1 1556083376 ZFYLXIOUASOWPT-OAHLLOKOSA-N 424.548 1.138 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1 1556953537 IBZDPKNKQMANCF-UHFFFAOYSA-N 420.531 1.095 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1c[nH]c2ccc(I)cc2c1=O 1556973375 GBOFTCUQNJAYRF-NSHDSACASA-N 408.195 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(S(C)(=O)=O)C1 1557029353 SOAADLDCCUBABC-KRWDZBQOSA-N 419.503 1.648 30 10 HDEE CC(C)C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)CC(=O)O[C@H]1CCOC1 1557238665 HIZKDLDBAFQQQH-HKUYNNGSSA-N 415.490 1.789 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806466 QLNSXIJRJCDOBE-CABCVRRESA-N 417.466 1.287 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OCC 1561573762 HLGIDVCKTRQAQG-AWEZNQCLSA-N 404.510 1.079 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1568806374 OLQJDZDVBQNLDA-UHFFFAOYSA-N 409.291 1.897 30 10 HDEE C=CCc1ccc(OCC(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(OC)c1 1583852641 YUWLHRKDWUPKCU-UHFFFAOYSA-N 417.550 1.715 30 10 HDEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)ccc1F 1584357570 GFSCPIFRLPRBQQ-UHFFFAOYSA-N 416.434 1.983 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCOCC1 1588159586 ZJWNOWWTAKUQCP-GOSISDBHSA-N 409.538 1.181 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC 1588595448 URKRUTNLNUYWJO-UHFFFAOYSA-N 405.524 1.691 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1589060765 YIBVQECBNMWDGR-KRWDZBQOSA-N 403.552 1.740 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H](C)C2)CC1 1594014583 SYTFWZFWIOGSQC-IRXDYDNUSA-N 410.588 1.777 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC 1595204622 HHGGZWNEPKFBTF-UHFFFAOYSA-N 407.478 1.507 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1595583362 DMVRDPHMYGTUJY-GJZGRUSLSA-N 423.491 1.013 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cn[nH]c2)C1 1595673030 FCGXGQSRVOGGEV-MRXNPFEDSA-N 408.466 1.673 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1595789542 WIYDMQXJHYKSMO-UHFFFAOYSA-N 417.535 1.882 30 10 HDEE C[C@@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)S(C)(=O)=O 1596604250 FOQJXICKHNHGOV-GUYCJALGSA-N 421.519 1.942 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1596610875 YZDNJIRCVUSKSA-LJQANCHMSA-N 403.548 1.442 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H](CC#N)C(F)(F)F)cc1OCC 1596784252 WFIDQCATPWAJIM-CQSZACIVSA-N 423.413 1.723 30 10 HDEE Cc1cc(C(=O)NCc2cncc(C#N)c2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1596855854 LMOPZAVSARDJFP-UHFFFAOYSA-N 423.498 1.997 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 1597331821 CZUVHRIEBAHRAZ-CQSZACIVSA-N 413.521 1.373 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3(C#N)CCOCC3)C2)cc1 1607179687 ABNJSMFHULVJJD-QGZVFWFLSA-N 405.520 1.832 30 10 HDEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)[C@H]1C 1613034492 FKKAQBOTXQAGAX-KBPBESRZSA-N 420.564 1.696 30 10 HDEE CCn1cnnc1Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1615755838 RCWFBMODJYDHDI-UHFFFAOYSA-N 407.482 1.770 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2ccccc2S(N)(=O)=O)c1 1618147473 JXRDUWVHHANRIL-UHFFFAOYSA-N 400.460 1.095 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1622689289 LNUKZNFRKHAPQG-UHFFFAOYSA-N 415.309 1.628 30 10 HDEE Cn1cc(C(=O)C[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1623452214 NAORTMDBRMYDHM-CQSZACIVSA-N 418.450 1.734 30 10 HDEE C#CCN(C)CCCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1625359974 OMWJWVWYWMICIM-UHFFFAOYSA-N 422.732 1.435 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1)C(=O)OC 1626183392 FQUHPKYHFUICOB-MRXNPFEDSA-N 422.503 1.555 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4C#N)CC[C@H]32)CC1 1626483941 BKOPIFQZAYWEIB-MWQQHZPXSA-N 417.510 1.540 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1 1627909297 ROPWIAIYNXXSTP-SFHVURJKSA-N 421.519 1.176 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1 1628849144 AQJCHODXQPEJPC-HOTGVXAUSA-N 410.312 1.917 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1629571375 KTVUQGKRUPIHQK-YPMHNXCESA-N 401.286 1.045 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCO1 1629586727 DVSOIQYKSPDOJM-HUUCEWRRSA-N 411.503 1.120 30 10 HDEE Cc1ccc(C(=O)NCCn2c(C)nnc2S)cc1B1OC(C)(C)C(C)(C)O1 1629598023 ZIQZLRVAAGTNRH-UHFFFAOYSA-N 402.329 1.913 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1630053758 JMNRQHVOCVDIGW-UHFFFAOYSA-N 420.441 1.646 30 10 HDEE Cc1nc2n(n1)CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1630431852 WYXPVLWPFJBQCC-RDYUPDBUSA-N 400.483 1.716 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1633897718 GWVJJRQVTLWENR-COXVUDFISA-N 416.478 1.444 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(c3ccccc3)C[C@H](O)C2)s1 1633982012 QUTREGNFTFUSQW-GLRZTSSQSA-N 406.529 1.921 30 10 HDEE C#CCn1cc(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)cn1 1635749286 ISANITRXBVRLBO-UHFFFAOYSA-N 417.263 1.711 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N[C@H]1CCN(O)C1=O 1636352966 PMCZMBDDGWBMCX-INIZCTEOSA-N 407.423 1.655 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccc(C#N)s2)C1=O 1639431696 WSTWGRWKIFBBQJ-OAHLLOKOSA-N 406.508 1.999 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1cc(-c3cccc(C#N)c3)no1)C2 1640374181 FYDHSIQRQKDXHD-INIZCTEOSA-N 405.418 1.226 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1641632459 GVLAMRWTMQJSBS-CQSZACIVSA-N 414.487 1.524 30 10 HDEE CC(C)[C@H](NCCC(=O)Nc1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 1642948528 ASUXQQYGFWHKQK-NRFANRHFSA-N 423.521 1.697 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1643590529 UTUUSXUSFAJMTG-ZFWWWQNUSA-N 402.900 1.852 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 1643691421 DWTTWULBRUXVEH-MGPQQGTHSA-N 405.520 1.929 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 1644438671 SVWCRFJBYUFCTR-XCBNKYQSSA-N 402.266 1.992 30 10 HDEE C#CCN(C[C@@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1644501255 RDWNPZMCVUCQJS-KRWDZBQOSA-N 413.584 1.993 30 10 HDEE CN1CCN(C(=O)CC2CCN(C[C@H](O)COc3ccccc3C#N)CC2)CC1 1644858624 NGWRFJUFTHAZNU-FQEVSTJZSA-N 400.523 1.174 30 10 HDEE CC1(C)Cc2c(cnn2-c2ccccc2)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1647902876 NQELSNYNYDUOLO-UHFFFAOYSA-N 418.457 1.617 30 10 HDEE COCCN(CC#N)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1654642605 CNAVEEJYEVAGSB-UHFFFAOYSA-N 424.523 1.280 30 10 HDEE COC(=O)CNC(=O)[C@H](C)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766625 GBVRGKCEIGKPGY-FXQIFTODSA-N 412.277 1.767 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1664585672 GRMSHFUBNHWVOQ-HUUCEWRRSA-N 402.517 1.034 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC 1664950767 FDNVCKABCWKKER-MRVPVSSYSA-N 401.915 1.591 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)N3CC(O)(CC#N)C3)cn2)CC1 1670277769 AUSSPESHIRBRQC-UHFFFAOYSA-N 417.470 1.026 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2=O)c(OC)c1 1672547581 CWWVREZPNVVEST-SFHVURJKSA-N 415.494 1.046 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 1673121469 XBNCIRLXPBQMAF-SFHVURJKSA-N 403.508 1.216 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1674853442 BABCVSORFZRMIK-WFASDCNBSA-N 401.510 1.816 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1 1677581705 OLXBOOQWOOLISA-GOSISDBHSA-N 406.552 1.612 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1682373582 LCJODNMRNIOOFP-DOTOQJQBSA-N 423.514 1.120 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3cccs3)cc2)CC1 1682540867 UUXPHIHQFICANB-UHFFFAOYSA-N 418.544 1.710 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)c1ccccc1 1683508080 LXNFEULCGFANQL-MRXNPFEDSA-N 404.517 1.842 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(Cn3cnnc3)CC2)C1 1686054504 AAMVXDNZUDCCAZ-HOTGVXAUSA-N 403.487 1.459 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccco2)c1 1689870197 FGFPMZLULLUWPR-SFHVURJKSA-N 418.457 1.927 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1689991900 DRSWCDITIABOLA-MAUKXSAKSA-N 408.549 1.436 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689992703 NYMMNUIEBYBEBX-MRXNPFEDSA-N 423.583 1.408 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCOC2)CC1 1690113991 ZSCBVTHOVMVRSS-KNQAVFIVSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCCC2)CC1 1690130288 DCOMEYPJCKLPJF-UHFFFAOYSA-N 413.570 1.032 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690247534 BXHIQUGHNCXCRN-NUJGCVRESA-N 411.572 1.587 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1690469186 HDYPXARVDUJFOF-UHFFFAOYSA-N 404.515 1.212 30 10 HDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690470766 KSHAPYNPFCTVEG-MRXNPFEDSA-N 403.531 1.719 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCNS(C)(=O)=O)C1 1690688429 VDNAQRVTSUCXNK-KRWDZBQOSA-N 421.523 1.284 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)C(C)(C)C1 1690714454 MXRNFEQJMXBAHB-INIZCTEOSA-N 423.583 1.987 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695918830 NQTJKSXWTRQBEY-UHFFFAOYSA-N 423.521 1.928 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1696021543 BLKHXLFJFVSZTP-OXJNMPFZSA-N 407.515 1.458 30 10 HDEE CCOCc1nnc(N2CCN(CCOC)[C@H](CC)C2)n1Cc1ccc(C#N)o1 1696338480 MHNBFCMKYARVGR-MRXNPFEDSA-N 402.499 1.875 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1cc[nH]n1 1696676271 DIKPTGRUCMVGRE-UHFFFAOYSA-N 415.461 1.934 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C[C@H]1OC 1698289330 GCULJVVEUBKDBB-ZYWUZIHQSA-N 415.519 1.578 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1705486988 PWRWRSSFHHZOEJ-HNNXBMFYSA-N 412.519 1.843 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCC1 1705540577 FZCDQEMWVYQUNF-UHFFFAOYSA-N 404.584 1.847 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705551291 KVKWCLKAQJHXEM-HNNXBMFYSA-N 404.492 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H]1COCCO1 1705600124 MTJRUDCBBWHVHY-HXUWFJFHSA-N 418.501 1.785 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1705736970 HKUYEIPMXNREPM-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705828221 GUQDEOVRLJBWDI-OXJNMPFZSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1705843673 LEEQNGUNICWYKK-CABCVRRESA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705899729 FEEXNLJJRIUBDZ-QFIPXVFZSA-N 422.464 1.879 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1705977662 GYMAIPBSJJXDQC-UHFFFAOYSA-N 424.505 1.417 30 10 HDEE CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1706074749 DAHTZXWLGWZYEC-IRXDYDNUSA-N 410.588 1.895 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1706115796 BMQVSVHXTKDHDV-OAQYLSRUSA-N 411.510 1.320 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1706677971 BHIQCJSRZBXQTP-YLJYHZDGSA-N 416.457 1.630 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1712578143 SNMUPGAXSRUEHS-DLBZAZTESA-N 407.515 1.938 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1722325581 ASIIGWLRVXDUOL-MRXNPFEDSA-N 419.493 1.426 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1722346110 URRZKIUWNQMCPY-HNNXBMFYSA-N 416.551 1.388 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1722357871 AQRXLCMSZMUTOO-OAHLLOKOSA-N 421.523 1.385 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1 1722383387 ORDHBVCOLYGOTB-MRXNPFEDSA-N 402.907 1.955 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722460500 XSCBEFDFCNYTST-DLBZAZTESA-N 406.552 1.923 30 10 HDEE C=CCNC(=O)Cn1c(N2CCc3ccccc3C2)nnc1[C@@]1(OCC)CCOC1 1722703967 MLMFTYNCVPNQFC-JOCHJYFZSA-N 411.506 1.795 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)C1 1722714982 QJVQBUWBCZYEFU-LSDHHAIUSA-N 414.514 1.405 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1728265066 AKSIJXFNQZHKOV-QGZVFWFLSA-N 414.466 1.073 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729153817 LATXEVDJCZXMAS-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1729715908 LUVMFLGPLTVYHO-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE CO[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1729939397 FBVMGFFQAHSCHG-PMACEKPBSA-N 402.499 1.450 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1740567500 SBHCVHYMZBOWBH-AEFFLSMTSA-N 423.583 1.945 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1740578525 CAAKYZASSIWJLL-UHFFFAOYSA-N 409.498 1.382 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740592821 IZXBIYLFPOIHHB-SJLPKXTDSA-N 400.454 1.782 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC2CCOCC2)c1 1740606962 YRRQBPGZJYVNID-UHFFFAOYSA-N 407.478 1.749 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnccc1OC 1740609775 SPVBJTJMUDRKNY-UHFFFAOYSA-N 415.457 1.713 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1740629964 CXGVAAXYEHYZKW-MRXNPFEDSA-N 415.519 1.212 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)OC 1740636930 IWJBMESDOOLJSC-HNNXBMFYSA-N 400.508 1.346 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1740639646 DQRDPWIXZOXGPK-JFIYKMOQSA-N 404.536 1.457 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740959447 VVMBLWUDEJVLMP-MRXNPFEDSA-N 422.497 1.087 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1740962253 XFERSQFGZCAGFG-CABCVRRESA-N 417.583 1.855 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(C)O)C1 1740970765 QIILXDIVAFCQCV-HNNXBMFYSA-N 400.483 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1740987059 OKPPWPCYQFBXGG-LJQANCHMSA-N 403.552 1.898 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741188102 WKPWPGDPFBMJSN-VHEBQXMUSA-N 416.526 1.602 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2nncn2C)CCOC1 1741725214 XKYXAGWDRIZEMV-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)N(C)C 1741833271 DJIYVRUJMOODIC-QVKFZJNVSA-N 409.494 1.798 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCC[C@H]1CO 1748033578 JUNBSIMUCQWMNZ-LAUBAEHRSA-N 415.517 1.962 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748809885 XCSHRPFSEMCVFH-NVXWUHKLSA-N 418.519 1.615 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748812526 VMXCCONRRIVOAL-INIZCTEOSA-N 419.551 1.725 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](F)COC)CC1 1748984585 OBHRGSXNRSZENS-INIZCTEOSA-N 401.442 1.414 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)CC=C)CC1 1749004904 PTNWSJRPLOWERK-INIZCTEOSA-N 421.567 1.358 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1 1749053725 KVYMHWVNHOZQHV-YLJYHZDGSA-N 422.599 1.756 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1749361880 QVSYCYHWFHYPJY-MRXNPFEDSA-N 421.498 1.815 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccn2)C1 1749698695 WLKKFIXPTDQPAV-DOTOQJQBSA-N 420.539 1.307 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1749708245 IVRIVLDJJFJYDA-WDEREUQCSA-N 420.258 1.998 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCOC2)CCO1 1750388216 LYOUWEKCPXNZKE-ORAYPTAESA-N 405.405 1.027 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1751983284 OXSJUCDOHUEUAJ-QFBILLFUSA-N 424.505 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760098398 RXXONUZYQNITCO-OLZOCXBDSA-N 411.478 1.867 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760187400 CXMYIEVMNFTFCA-QINHECLXSA-N 419.551 1.697 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760187977 MKGCWZCTBAIWBX-HOTGVXAUSA-N 405.524 1.046 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CC1 1760247878 TXJXLXUFLZJNBA-UHFFFAOYSA-N 403.508 1.312 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1760355704 SRKAFDWDZCVJCW-GOSISDBHSA-N 404.515 1.902 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760357688 LUYKNQMMQXIZRI-BRWVUGGUSA-N 412.556 1.777 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)c2)CC1 1760396889 KFUCDJNVOWHUTD-OAHLLOKOSA-N 421.571 1.657 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)C1 1760545263 QVYXVQYMWQRSCJ-IRXDYDNUSA-N 418.542 1.121 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCn2cncn2)CCOC1 1761283257 NJEAZMVPQFOVNI-FQEVSTJZSA-N 414.514 1.740 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1761708998 DZESOWQBQOVBNH-MOPGFXCFSA-N 424.505 1.987 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCC2)cs1 1762297269 SFUKFJSVXHQJNY-MRXNPFEDSA-N 401.540 1.847 30 10 HDEE CCc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764805860 MIVDVNCUKWNNMW-NRTINQSCSA-N 414.510 1.762 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1766686757 FBGXVDCJUPZJDJ-GJZGRUSLSA-N 403.508 1.865 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1767481788 DRRJAYRVGMIROH-VQIMIIECSA-N 402.430 1.241 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1n[nH]c(C)n1 1767942508 NGOOICOVPLNPJM-UHFFFAOYSA-N 422.497 1.077 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C#N)o1 1769315638 ZJOIVWFITYDVFB-UHFFFAOYSA-N 424.461 1.951 30 10 HDEE C[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1772788008 ICWIIONEKWTXRN-LBPRGKRZSA-N 402.428 1.795 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCC(=O)N2CCOCC2)CC1 1849945390 JTPAXXUYJAWLRI-UHFFFAOYSA-N 407.474 1.298 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn3ccncc23)cc1 1852197338 JZLUKFJNYVWXBJ-SFHVURJKSA-N 407.430 1.538 30 10 HDEE COc1nn(C)cc1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852508843 ZJWAZBABJXJUGB-KRWDZBQOSA-N 400.435 1.237 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCC[C@@H]3C(=O)N3CCN(C(C)C)CC3)cnc2c1C#N 1852661700 TUXBDIVCAVXJCL-LJQANCHMSA-N 423.521 1.375 30 10 HDEE COc1ccc(N(C(=O)CN2CCN(C(C)=O)CC2)c2nccc(OC)c2C#N)cc1 1852728339 WHAIAQHTAQXYIZ-UHFFFAOYSA-N 423.473 1.799 30 10 HDEE C#CCSCCNC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)OC(C)(C)C)CC2)C1 1853117009 YRUCPTNAJJDJBX-OAHLLOKOSA-N 409.552 1.717 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)NCC#Cc4cccnc4)cc3C2=O)cc1 1853162726 FQGNTKNAPONRNV-UHFFFAOYSA-N 415.453 1.724 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854262662 MGNHKBZEAGHBOG-OALUTQOASA-N 404.474 1.690 30 10 HDEE C=CCN1CCN(C(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)C(=O)[C@H]1C 1854282933 RVCKFWPKMROMKO-CYBMUJFWSA-N 400.504 1.986 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(c4cncn4C)CC3)C2=O)CC1=O 1854341901 IEYJOSBPMLFUGW-QZTJIDSGSA-N 413.522 1.152 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)c1 1854468184 PUPSXVBFTHUDTN-SFHVURJKSA-N 415.515 1.733 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC[C@H](Cn4nccn4)C3)CCC2=O)ccn1 1854732255 SBXJTEIBBTVDJH-IRXDYDNUSA-N 407.478 1.336 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cn1 1854941542 RRQAGLPBPCDRAX-HKUYNNGSSA-N 413.522 1.920 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(=O)n1 1855009888 KMOQJGJIEIRSOC-ROUUACIJSA-N 411.506 1.394 30 10 HDEE Cn1nc(-c2ccccc2)cc1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855072587 KDAGBPALFILMJU-SFHVURJKSA-N 406.490 1.359 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 1855662041 ROGJKCWSDSCKBA-INIZCTEOSA-N 409.483 1.226 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855737214 BBEBQKWKPYGMOS-ZYHUDNBSSA-N 421.372 1.597 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)CC2=O)cc1OC 1856197228 MMTLBTDLMNWFIC-GJZGRUSLSA-N 414.462 1.030 30 10 HDEE C[C@@H](C(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1)c1ccc(Br)cc1 1856254706 FKKIPGQWUBQFCL-MFKMUULPSA-N 403.254 1.565 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN1CCCCC1 1856930619 NFNMDSFHCHZGRY-UHFFFAOYSA-N 418.519 1.512 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C(=O)C1(C)C 1857090118 LBTPJEZUILRRKJ-CQSZACIVSA-N 419.503 1.245 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1=O 1857206821 HJVGANXRSJXKME-CABCVRRESA-N 422.503 1.808 30 10 HDEE C[C@H]1CN(C[C@H]2COCCO2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1857327933 DPVIBVZYSQVJMU-YJBOKZPZSA-N 406.442 1.998 30 10 HDEE C[C@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CCS1(=O)=O 1857343694 UXIOANHQDJDFRY-RDJZCZTQSA-N 403.504 1.446 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)cc1 1858327232 NNCZMYPTTVTUOF-SFHVURJKSA-N 412.471 1.710 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ccc(NC(=O)N4CCOCC4)cn3)CC2)c1 1858441912 GRQJMEIUACGJEZ-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE C=CCNC(=O)[C@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861601544 XFACOLDOJXIDDC-HOCLYGCPSA-N 401.463 1.413 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(O)c1 1862752251 WDGPKZCWMRKPKZ-BTDLBPIBSA-N 414.370 1.965 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN(CCOC)CCOC)cc1=O 1870384557 WAVZHQFHHCXGOI-UHFFFAOYSA-N 421.538 1.520 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NC[C@H]2CCCO2)sc2c1CCC2 1872707584 YCFUCWBYOVEYHN-SNVBAGLBSA-N 417.447 1.418 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCCCN(CC)CC)C2)CC1 1872929798 IOJVDDRPDQYRKC-IBGZPJMESA-N 406.571 1.498 30 10 HDEE CCCNC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc[nH]1 1874338101 MWSUFUKGRMOBAC-GGPGUOJZSA-N 417.539 1.831 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC(COc2cccnc2C#N)C1 1891162358 MOWDRORGROUQBY-OAHLLOKOSA-N 411.487 1.647 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc3c(s2)CCNC3)CCN1Cc1ccccc1 1914891658 KTNVGRIQNSCZOH-KRWDZBQOSA-N 402.545 1.792 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 1985097740 KIVBUVMQVYMOHM-UHFFFAOYSA-N 411.308 1.368 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C#N)(C2CC2)C1 2108227323 GEURNNAOUSNDQJ-UXHICEINSA-N 419.478 1.966 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2118166184 HWPXMGDTYPPVLY-QWRGUYRKSA-N 400.423 1.512 30 10 HDEE C#CCN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 2169176303 JDVNVYLVTSNXEM-IAGOWNOFSA-N 400.541 1.117 30 10 HDEE C[C@H](C1CN(C(=O)OC(C)(C)C)C1)N(C)S(=O)(=O)CC1(C#N)CCOCC1 2174782714 UDAWBXXFHJBEDT-CQSZACIVSA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 2181109717 HUMDEQQPHWVSRC-KGLIPLIRSA-N 402.517 1.243 30 10 HDEE C#CCN(C(=O)[C@H](F)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2199073290 HNMUDGDPOSEQNF-LXTVHRRPSA-N 402.488 1.277 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250001021 QOHVTHSKMBFGIN-JKSUJKDBSA-N 422.331 1.745 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)C1CC1)NC(=O)OCc1ccccc1 2258183086 MZAVAMZIMXSNLE-MRXNPFEDSA-N 409.464 1.162 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267376118 QZWMHVPUBSMDQE-CMPLNLGQSA-N 407.388 1.438 30 10 HDEE C=CC[C@]1(CO)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2272084452 HMEVVXJKOPRMFA-NRFANRHFSA-N 420.531 1.899 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(CN(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282300255 CTRMDUGBYMHLRP-UHFFFAOYSA-N 400.375 1.538 30 10 HDEE CCC(=O)NCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282318106 YKKVERHJYSUPAD-UHFFFAOYSA-N 422.765 1.505 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(Cl)CC1(C)C 2282335701 SXMLAOAWIMUIPW-INIZCTEOSA-N 403.741 1.405 30 10 HDEE CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340249 CWICFOWHPYXTJF-LLVKDONJSA-N 402.347 1.240 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N1C 2282342469 HWXZRIZCKWKJEP-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE CN(C[C@H]1CCCS1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282342517 IKZYKXVVYNJFTI-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE COC(=O)NCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343859 HVSRXYWTVSVQRP-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@]2(C)CO)OC1(C)C 2282491297 NHGSMXGUPQDEAD-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CC(C)[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493522 WQCNHNKXLOIDCN-ZFWWWQNUSA-N 401.359 1.827 30 10 HDEE CN[C@H]1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282495246 JXMCMDARXLIQOJ-BETUJISGSA-N 400.375 1.856 30 10 HDEE CON(C1CNC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282496387 ZYJXNHFXWYHIRQ-UHFFFAOYSA-N 402.709 1.163 30 10 HDEE CC[C@@H](C)[C@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506542 UDBRIBAKRINVKX-OCCSQVGLSA-N 403.375 1.874 30 10 HDEE C[C@H](CO)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506712 WLWFFYATKBNNKK-NEPJUHHUSA-N 403.737 1.934 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)S(N)(=O)=O)c1C 2282570050 BDJFYWPAUBXXBP-VIFPVBQESA-N 402.347 1.071 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](N)CC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282836381 IZKLJSIMZXWCDF-CHWSQXEVSA-N 400.375 1.856 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNCC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836494 KUPICMCOJACSNI-GFCCVEGCSA-N 400.375 1.632 30 10 HDEE CC1(C)C[C@H](N)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848585 PCJGYTMTQZDLRJ-GFCCVEGCSA-N 400.375 1.938 30 10 HDEE COc1ccc(S(=O)(=O)NCP(C)(C)=O)cc1B1OC(C)(C)C(C)(C)O1 2282866789 PCGKWWYMXMTLIA-UHFFFAOYSA-N 403.246 1.853 30 10 HDEE CSC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284412069 RURFZCJBCBVLCS-ZDUSSCGKSA-N 401.315 1.080 30 10 HDEE C[C@H](COCC(=O)O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2284465020 MMOJZPOCSSTBOZ-SECBINFHSA-N 403.693 1.920 30 10 HDEE C=CC[C@@]1(CO)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2287755060 NVWBEXSVAKMONO-KBXCAEBGSA-N 404.529 1.102 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnn(Cc2ccccc2)c1 2315534741 QPWBTDZBJXKRSA-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE COc1cc([N+](=O)[O-])cc(C=Nn2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 2322038169 DSGWHJCZBVAAKO-LLVKDONJSA-N 420.451 1.796 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1OC 2330770410 GWVGYPROVQUJND-UHFFFAOYSA-N 407.452 1.079 30 10 HDEE C#CCO[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338823654 PWSRNFRGBAETBU-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339662613 MAZOXUBNYFOCLF-CHWSQXEVSA-N 401.554 1.733 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2367817494 NANYWFLSEDCLNH-QMTMVMCOSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2367823872 JKSFARKISYSAFX-OLMNPRSZSA-N 400.541 1.306 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2375784289 IMWZZLLOEWVNJW-DEYYWGMASA-N 402.513 1.514 30 10 HDEE CC(C)CN(C(=O)COC(=O)COc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 8143083 YCRLAJXTTKAWNW-INIZCTEOSA-N 408.476 1.152 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1cnc2ccc(F)cc2c1=O 44566292 UDBLPNRSYNSMRL-UHFFFAOYSA-N 407.449 1.998 30 10 HDEE C[C@@H](/C(N)=N/O)N1CCN(C(=O)c2cccc(I)c2)CC1 109460148 DNHJHJATZYGIEJ-JTQLQIEISA-N 402.236 1.184 30 10 HDEE COc1cccc(/N=c2/c(=C3/C=C(Br)C=CC3=O)[nH]c3n2C=CNC=3)c1 221275907 FIIUVMNKMMSJJI-IWNUJODZSA-N 411.259 1.395 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](c3cccc(C#N)c3)N(CCC(N)=O)O[C@H]2C1=O 252017306 WHBOYFHYJAJQDA-RZTDZLQYSA-N 418.453 1.837 30 10 HDEE CCC(C)=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@H](O)COc1ccccc1 254313840 ZPBZJZRRWSDAPZ-ZDUSSCGKSA-N 400.439 1.473 30 10 HDEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 410075372 QOBTXQWXUKYXLI-HNNXBMFYSA-N 412.508 1.158 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)CC1 427240608 BTLDPPKLRGRQLL-GOSISDBHSA-N 401.536 1.688 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)Nc2ccccc2)CC1 428763736 WNNNVCBOGGHXDO-CQSZACIVSA-N 412.471 1.513 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cscc2C#N)CC1 432056042 XOPVFQCVOBYBCS-UHFFFAOYSA-N 420.472 1.983 30 10 HDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 432392096 ADVJLFHIZDQOSE-UHFFFAOYSA-N 401.473 1.643 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCNC(=O)C[C@H]1c1ccccc1 443101770 MSEZCHPQAGYXBZ-INIZCTEOSA-N 400.416 1.718 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 447037385 KXHZTPLDRUIOBI-UHFFFAOYSA-N 413.459 1.623 30 10 HDEE COc1cc(CNC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)ccc1C#N 460483779 SJWOOWHXQDSPRT-UHFFFAOYSA-N 415.538 1.993 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCNS(=O)(=O)c2ccccc2F)cn1 461744776 BPDBXUQWBIAAKU-UHFFFAOYSA-N 414.422 1.585 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCN1CCc2ccccc21 464857820 QVISHJZUFHFATG-QGZVFWFLSA-N 405.506 1.038 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)C2)cn1 466045713 WAURDVVUXYSRRX-HXUWFJFHSA-N 407.522 1.788 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 474192007 JYNAACPJMJZGQR-AVRDEDQJSA-N 417.554 1.597 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(C#N)ccc1Cl 476415862 DFZCHGJINVMCLW-UXOAXIEHSA-N 412.851 1.325 30 10 HDEE COc1ccc(CC(=O)Nc2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 477402303 GFVXUVNEUNJKJP-UHFFFAOYSA-N 416.459 1.164 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ncccc2C#N)CC1 480000720 GEMKHQRIJAPLNS-MRXNPFEDSA-N 417.473 1.583 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2ccccn2)CC1 480790840 ZDEOLASSEQRVTF-HNNXBMFYSA-N 413.503 1.405 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCC(C)(C#N)CC1 506034916 BRMOUZKKTYOVTG-UHFFFAOYSA-N 404.536 1.842 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 507403401 OBTRUTZRCOSAAI-JLTOFOAXSA-N 400.435 1.637 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508887411 IOPRGAQZNFYXHQ-UHFFFAOYSA-N 402.462 1.423 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513554486 RIFFKAUUVQDXPW-UHFFFAOYSA-N 421.519 1.799 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 517997943 HPWNNQBJUBYHFM-CQSZACIVSA-N 415.512 1.321 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1C#N 535508753 ZGYIUWLAGBEJKB-NSHDSACASA-N 402.405 1.703 30 10 HDEE CC[C@@H](CO)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553840009 OBHBPPFMLGIPDB-LBPRGKRZSA-N 402.314 1.398 30 10 HDEE CN(C)c1nc(O)cc(CN(C)[C@@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)n1 557690283 CCUFBBCUWKRGNR-LJQANCHMSA-N 423.521 1.578 30 10 HDEE CCNC(=O)COc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 576675668 QDYRABHBRADSBL-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)cc1 585774573 ODYGEZCKIQCSNT-NRFANRHFSA-N 424.476 1.812 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@H]2CCN([C@H](C)c3ccccc3)C2)C1=O 591152555 UWVGKDAQPQUUSC-AEFFLSMTSA-N 412.490 1.647 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(COc2ccccc2C#N)o1 610618741 YEZIFUYUJAGZKP-UHFFFAOYSA-N 403.460 1.838 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 619707965 UKUPPAMNBWSJGC-GOSISDBHSA-N 415.519 1.697 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 679530722 NARIZHKEKLTSHW-SFHVURJKSA-N 402.495 1.110 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc3ccccc3n1CC#N)c(=O)n2C 729767059 SVTNSJJQYIDBGC-UHFFFAOYSA-N 420.429 1.159 30 10 HDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C#N)C2CC2)c1 731203896 ZUKXKQSWLIIWGS-CQSZACIVSA-N 416.297 1.406 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732648636 GLYDVYVXLNWGRN-QFBILLFUSA-N 416.547 1.920 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CCN1C1CC1 732650253 LBKPKSCCPGRPAU-CQSZACIVSA-N 417.516 1.110 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732708982 XMWJMJOEJNOFCV-HXUWFJFHSA-N 421.501 1.638 30 10 HDEE CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740203880 HIQUCQYXRGZVJX-KRWDZBQOSA-N 402.428 1.928 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCN(c4cc(C)nn4C)C3=O)cc2C1=O 744457935 DWCSGYUUFMHAQS-MRXNPFEDSA-N 408.414 1.473 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(OC)c3)cc2C1=O 746465474 XHYIQFGLRZZAPG-UHFFFAOYSA-N 400.412 1.596 30 10 HDEE CC(C)CN(C(=O)CON=C(N)c1ccc(CN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 747839085 XKPFYJIXQFUTQW-SFHVURJKSA-N 424.567 1.057 30 10 HDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)C1 751730404 WANSMACRRACXME-HNNXBMFYSA-N 400.479 1.551 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 752153788 DRXHRAJJQPBYDI-UHFFFAOYSA-N 423.494 1.832 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1ccn(CCS(C)(=O)=O)n1 754814345 COAJHAOHUFIGFG-HNNXBMFYSA-N 419.507 1.684 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760401145 SPJZCBDFMUVJCV-UONOGXRCSA-N 401.554 1.854 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)CCOc3ccccc32)CCCCC1 760401820 MKYQSHPAJVCOOY-UHFFFAOYSA-N 405.476 1.722 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1ccccc1F 767677798 TVUUGGHQMYETKC-GFCCVEGCSA-N 405.407 1.546 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772899034 RYBIWPRFDFVSKE-UHFFFAOYSA-N 416.572 1.778 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 774263365 IIJZNVOOORBWOS-JFIYKMOQSA-N 423.922 1.444 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCc1csc(CS(C)(=O)=O)n1 780176136 NAAIEGBTWMUUHO-INIZCTEOSA-N 402.494 1.993 30 10 HDEE COc1ccccc1-c1ncc(C=NNC(=S)NCCN2CCOCC2)cn1 792891271 SPJYANRENCSCNV-UHFFFAOYSA-N 400.508 1.282 30 10 HDEE CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794593966 AEQUQXJJLLUBLR-AWEZNQCLSA-N 408.483 1.076 30 10 HDEE COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798745780 VORIYAJNJYGUGZ-QWHCGFSZSA-N 401.423 1.318 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 800773165 AIABYZOKDMIRRS-UHFFFAOYSA-N 412.885 1.600 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccc(NS(=O)(=O)/C=C\c3ccccc3)cc2)n1 803552146 YZTSPYHKBCZVBX-RAXLEYEMSA-N 422.470 1.992 30 10 HDEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 804674579 UCLGEPHNVWHYJX-RAJOGRCSSA-N 406.483 1.762 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)OCC[C@@H]2C1 805051147 ISSIPIVJYMJYKN-SNVBAGLBSA-N 400.254 1.536 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 805786393 QNPCCXZILVYICV-PZJWPPBQSA-N 414.550 1.489 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 805792705 CKFCCNOHEFOGGV-JOCHJYFZSA-N 404.555 1.487 30 10 HDEE C#Cc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 810537197 YGUJTNAYMRYSQI-UHFFFAOYSA-N 413.455 1.652 30 10 HDEE N#Cc1ccccc1/C=C\C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 827588503 JAMBXZNOLPRTMH-ALCCZGGFSA-N 417.512 1.970 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(N)=S)C1 1084582737 NENJYFAJOHEUCS-ZDUSSCGKSA-N 406.512 1.847 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CC[C@@H](N4CCN(C)CC4)CC3)CC2)o1 1116867522 LZPPNSGVIPKCTH-KDURUIRLSA-N 414.554 1.746 30 10 HDEE COCc1sccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1136149364 HQHVWROEHAUGCQ-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1137607222 BGOUNSDOFHXTMM-XAUUPUKJSA-N 413.540 1.666 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4nnc(O)cc4C3)C2)C1 1138448668 ZQVCCWPIKAVBJH-FAGJFJLWSA-N 413.478 1.854 30 10 HDEE CC[C@@H]1[C@H](CO)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1141550633 GNBKSWVUYDRJGP-DOTOQJQBSA-N 407.536 1.905 30 10 HDEE CCOC(=O)c1csc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1144232813 KGGKIKHXKDAPBN-UHFFFAOYSA-N 411.436 1.686 30 10 HDEE C#CCN(CC(=O)N1Cc2cc(C(=O)OCC)nn2C[C@H]1C)C(=O)OC(C)(C)C 1155805989 DTGHUDVPWCCEAV-CQSZACIVSA-N 404.467 1.661 30 10 HDEE COc1cc(OC)c(C[C@@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 1158413762 ZFFQVBUQGXDYAT-CEQVZJHGSA-N 417.462 1.676 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N(CCCC)c1c(O)nc(=O)n(CC(C)C)c1N 1170351083 HGNRUEMTIRXCPC-CABCVRRESA-N 407.515 1.253 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1176782478 FSUMOUFZKRUDRI-GQIGUUNPSA-N 405.520 1.697 30 10 HDEE COC(=O)[C@H]1CN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C(=O)OC 1176903304 WXGJOBXAJVLZHA-IRXDYDNUSA-N 401.463 1.444 30 10 HDEE COC(=O)c1cnc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 1178003256 YZETZFWPOGDYEE-UHFFFAOYSA-N 422.488 1.065 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OC)cc(C(F)(F)F)c1 1188508000 SYDRGWLMSVPDEQ-UHFFFAOYSA-N 415.411 1.371 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@@H]2CCC[C@@H](C(F)(F)F)O2)n1 1211731929 XDYDFKCWFILZCQ-HOTGVXAUSA-N 423.457 1.795 30 10 HDEE C#C[C@H](NC(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCOCC1 1221483510 DZHMIDMLTZPZKU-NRFANRHFSA-N 401.507 1.625 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C(C)C 1229530468 CKEPYIDHFQNCKU-KRWDZBQOSA-N 406.508 1.352 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1 1230534665 HDMMHUHHNPNMJH-IHWFROFDSA-N 416.547 1.930 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286323899 JWBXALZQEBLYPD-SFHVURJKSA-N 402.543 1.533 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(=O)(=O)CC 1286364814 KMBJBJLZRVMZNA-UHFFFAOYSA-N 422.507 1.475 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1286392004 HCFVTZCEWAGJCL-HNNXBMFYSA-N 409.556 1.020 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1286443179 BGUZAVMZQKTUHM-UHFFFAOYSA-N 400.439 1.308 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1 1286457469 PVDZCYGOWFTZJK-HNNXBMFYSA-N 423.514 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)cc1 1286469726 XQAHSFGYBHJFGY-UHFFFAOYSA-N 424.505 1.493 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC(F)(F)CO2)CC1 1286493422 ALJKOBCEBDGORJ-HZPDHXFCSA-N 423.464 1.520 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286595584 DRMQXHDLBVVOOC-IBGZPJMESA-N 404.540 1.731 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNS(=O)(=O)CC)CC1 1286638617 HMUQCCFYLYPNSD-GOSISDBHSA-N 413.544 1.026 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O)C1CC1 1286737066 LBVJPUNETBEYOL-UHFFFAOYSA-N 402.524 1.454 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCn2nc(C)nc2C1 1286784219 YZZMTTGGPCAPRT-UHFFFAOYSA-N 408.466 1.176 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286972054 MVMRUXCZHNQOCZ-WMLDXEAASA-N 418.523 1.616 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1287222295 FRNYDXMIHJEOQN-OAHLLOKOSA-N 404.496 1.020 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1290865010 HWWFJQYJNWKBHX-FQEVSTJZSA-N 424.553 1.537 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCC(O)CC1 1293003369 ABFZCQGIJGQIAE-UHFFFAOYSA-N 411.510 1.222 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c1OC 1293084825 YXRQBPWGHZGUDT-MRXNPFEDSA-N 418.494 1.937 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@](=O)C(C)(C)C 1293110709 CMYVGHGZCFIOKP-LJAQVGFWSA-N 415.567 1.981 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NCCO)cc2)ccc1F 1295880218 SZVOKIGBOOBWMQ-UHFFFAOYSA-N 421.450 1.264 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nccc3c(Br)cccc23)CC1 1297520039 KKCRKOBLMRITCZ-UHFFFAOYSA-N 415.291 1.505 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@H](F)C2)CCO1 1299137348 FDJIKBQPECLQSD-SZMVWBNQSA-N 412.469 1.906 30 10 HDEE COC1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1299779692 UEYUOWQCUIIADT-VLGSPTGOSA-N 409.450 1.092 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCN(C)C1 1300510937 BDCPTXKVVCHXGR-OAQYLSRUSA-N 415.444 1.686 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1300578584 MXRBVAMWNIYCDY-HNNXBMFYSA-N 417.560 1.710 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1300578620 NPFJQEYDAVAVRC-INIZCTEOSA-N 417.922 1.740 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)NC2CCCCC2)CC1 1300693047 QOOUETPQFMXMOG-UHFFFAOYSA-N 407.522 1.544 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC(N)=O 1300751497 KOMHBZWAISSIDJ-CQSZACIVSA-N 415.519 1.783 30 10 HDEE C#CCSCCn1c(N2CCN3CCCC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300778464 WWVHJMWWJIBEFE-GHTZIAJQSA-N 419.595 1.971 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1300915353 NQCRQEVSSYZDED-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE COCc1nc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cs1 1301210468 RVLPDFYHKFTYIY-UKRRQHHQSA-N 404.496 1.552 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CC(N)=O 1301503185 VFTRIAILPYVVTN-GFCCVEGCSA-N 406.437 1.149 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1301596723 XGGFMTZEEPDWCJ-APWZRJJASA-N 412.556 1.766 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1301836830 ULPQYOJZGBVONV-JOCHJYFZSA-N 424.505 1.727 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OCC 1303112165 SAJYLURPNLHUQO-FUHWJXTLSA-N 424.519 1.772 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)cc1 1303669153 CFDDWNZEGPHQSD-GOSISDBHSA-N 418.446 1.251 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@H](CO)c1ccccc1I 1304874874 HNAOHISVCYNNJJ-CYBMUJFWSA-N 403.216 1.950 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1 1307415815 SUHOHWNXJPYYME-QGZVFWFLSA-N 409.442 1.882 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nccs1 1316297859 QFEFUJKUNJDKDF-ZOBUZTSGSA-N 418.523 1.820 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1316530301 HGZCKSWDVYTHDT-KRWDZBQOSA-N 415.519 1.868 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)[C@H](C)C2)CCCCC1 1342513767 KPHMFGPFQITGLA-LCWAXJCOSA-N 402.535 1.975 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn3c(n2)C[C@@H](OC)CC3)c1 1357767565 YKKRVDKBZKTKDR-IBGZPJMESA-N 422.485 1.331 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1358932804 WWDKWDZQALMWFG-UHFFFAOYSA-N 400.552 1.602 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1358944583 ZGODLXQZOLMUIP-UHFFFAOYSA-N 409.368 1.464 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C1CC1 1358976730 OOBCAUFVBGDBCV-IBGZPJMESA-N 416.485 1.690 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ncn(C)n1 1359018691 YYWFHOWWZUEYPZ-UHFFFAOYSA-N 422.493 1.410 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cnc(C)s2)nnc1[C@]1(OCC)CCOC1 1359305659 JPBBYCFZNJLOBY-IBGZPJMESA-N 420.539 1.634 30 10 HDEE CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C(=O)OC 1439559599 YHKRABZUUVFTOM-OAHLLOKOSA-N 400.435 1.563 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CC3CC3)[C@H](C(N)=O)C3CC3)C2=O)cc1 1454960706 NSPYLZGFFOCXAL-HKUYNNGSSA-N 423.473 1.266 30 10 HDEE Cc1cc(C2(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCOCC2)on1 1461957588 QVPVNQVTZHAFSX-UHFFFAOYSA-N 418.475 1.611 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1463283686 VTLWRBQWAFBMDG-FOIQADDNSA-N 421.498 1.908 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(F)c(NC(=O)Cc3ccccc3)c2)c(=O)nc1O 1464297560 FLUFGAVRCZGBCE-UHFFFAOYSA-N 421.388 1.780 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OC 1464539597 KNBYRPMNTDNUIA-CYBMUJFWSA-N 409.913 1.920 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 1465803573 RPWNBIJXCJVLPQ-QGZVFWFLSA-N 423.535 1.908 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)C1CCC(F)(F)CC1 1469250430 UDTAFIRBESEVLT-GFCCVEGCSA-N 413.446 1.736 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191749 KWFJFXXTFLGFBV-AUSJPIAWSA-N 423.535 1.563 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1472290584 QYBBNACXASSOLR-MRXNPFEDSA-N 406.504 1.921 30 10 HDEE COc1ccccc1-c1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cs1 1472371104 UDDDCUSETZYDBE-UHFFFAOYSA-N 409.427 1.650 30 10 HDEE N#Cc1cnc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(Cl)c1 1472490112 BCJGPZMAPKIOGP-UHFFFAOYSA-N 403.870 1.183 30 10 HDEE C#Cc1cccc(CNC(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)c1 1477971427 CPAHZNWTRGZWRG-UHFFFAOYSA-N 401.488 1.592 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(N)=O)nc1 1504887371 BVFRQTGSXQTLOE-QGZVFWFLSA-N 413.482 1.428 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1507514305 QGGVFGLACUKUCU-CQSZACIVSA-N 405.462 1.439 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1507571684 KAFRCZFHUUWQBI-UHFFFAOYSA-N 408.510 1.353 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1507610063 DPLLSFKMJNYPNQ-INIZCTEOSA-N 416.526 1.764 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631542 QNACTFKOGASXBG-SJLPKXTDSA-N 416.551 1.240 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1OCCN(C)C 1507652141 DROQSCMAATXHIB-HXUWFJFHSA-N 407.518 1.844 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1507732167 TWUXMIHMGFUBGB-MOPGFXCFSA-N 416.570 1.480 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1CSC 1507747920 YWXYVEJSZYZBBJ-ZIAGYGMSSA-N 417.626 1.587 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1507956917 IIDXXLDIUXOLEC-GJZGRUSLSA-N 405.455 1.221 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508027675 MTZBUEPCGHGEHD-IBGZPJMESA-N 406.508 1.533 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1COCCO1 1508037848 LNXRBUONXXIQKR-QGZVFWFLSA-N 416.478 1.771 30 10 HDEE C=CCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1508066191 IIILKWVWUFGUIF-WFXMLNOXSA-N 405.543 1.663 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508072314 HSXVJTWHKWXJIL-FUHWJXTLSA-N 410.522 1.789 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCS(C)(=O)=O)o1 1510827781 INSQVKWPRACDCK-OAHLLOKOSA-N 407.496 1.790 30 10 HDEE C#CCOc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1526380520 WVXFTJKBTMCVFR-UHFFFAOYSA-N 415.467 1.950 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CC(=O)N(c4cnn(C)c4)C3)c2C#N)C1 1533853018 HXRFKZFPGLOIBZ-LBPRGKRZSA-N 412.475 1.249 30 10 HDEE CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1536971016 BGEILDMYQYCSGE-SYJIQKIWSA-N 413.455 1.880 30 10 HDEE CCOC(=O)c1cn(C)cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1538404661 XTBLEGXZYQNMGK-UHFFFAOYSA-N 404.448 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1539013760 NPXOTGUASVNOPX-MJGOQNOKSA-N 410.522 1.910 30 10 HDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1539133325 DYVFHLLEBNPKHY-SFHVURJKSA-N 408.506 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1539170768 BRRXORXWLZRRRJ-CQSZACIVSA-N 405.462 1.023 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCSCCCO 1539179049 MXDNSIYQQJVBNZ-UHFFFAOYSA-N 415.567 1.637 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1F 1539415246 CAUKIYJZCGMZGT-INIZCTEOSA-N 406.483 1.454 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1539525944 GQINZKLUUBXVEI-SJORKVTESA-N 403.552 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1539552299 NUKRNFYOBWCATD-DNVCBOLYSA-N 402.524 1.496 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1539803759 NAIBBBCXPVFMQH-XOYHFGRZSA-N 415.947 1.885 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCSCC2)CC1 1539897470 FFMJIMLHQXIYBK-UHFFFAOYSA-N 404.584 1.852 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1540064439 STORCHYLECAMOC-UHFFFAOYSA-N 422.580 1.649 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1540858483 YGTUBKLAFISLAW-STQMWFEESA-N 410.500 1.483 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540858870 MCGGMRYXGAGJKA-SFHVURJKSA-N 412.469 1.961 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540863178 QTSNXMQVEQGSQM-GFCCVEGCSA-N 402.421 1.209 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1540979110 IAFGWNHCEZBHGP-UHFFFAOYSA-N 424.505 1.417 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1543050798 DVYBAQSOIUABHM-OAHLLOKOSA-N 403.508 1.868 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)COc1ccc(C#N)c(Br)c1 1544160364 LZLJAXWIFKXLMI-GUYCJALGSA-N 411.252 1.879 30 10 HDEE CCOC1CC(O)(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)C1 1548036621 QGBRSCBXGOJFGA-IWXNBZKKSA-N 411.478 1.374 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc3c2OCCO3)cc1 1558508739 WQROXEKUFILJIR-UHFFFAOYSA-N 400.456 1.342 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c1 1558617536 PGXAVTIMSAHMMW-SFHVURJKSA-N 409.529 1.523 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)C1CS(=O)(=O)C1 1560071629 CWBGMZRKOHNXAC-UHFFFAOYSA-N 412.515 1.895 30 10 HDEE Cc1cccc(S(=O)(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1C#N 1561601956 DGBZQYTYQRAYMA-UHFFFAOYSA-N 422.532 1.271 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C)c3nc(OC)ccc32)c1 1561940985 YZJUFIYUZOQAJJ-UHFFFAOYSA-N 402.476 1.651 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1563001384 WGEUPMRWLPJHTL-NEPJUHHUSA-N 408.421 1.870 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C2 1564648288 TWORENSVGWKPTR-INIZCTEOSA-N 420.441 1.581 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1564692911 YGXIHRUURUACNT-ABSDTBQOSA-N 402.520 1.483 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1Cc2ccccc2N(C)C1=O 1565054384 INDWYBARLVSMPO-HOCLYGCPSA-N 405.462 1.156 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)c(C)c2)c1 1568445711 QVYFUWBGEJOHHM-UHFFFAOYSA-N 420.512 1.369 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1584530294 IUQZLSPTETYAMF-IBGZPJMESA-N 401.507 1.816 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCO1 1585431747 KCLDECXKMFONHJ-KRBJHKROSA-N 403.504 1.840 30 10 HDEE C#CCN(C(=O)[C@@H](C)OCC(C)C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585648354 XKPYJTJZVRFMAC-RTJUMIHMSA-N 402.535 1.924 30 10 HDEE N#CCCN1CCN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1587542853 YYSYVVGCTCXALU-UHFFFAOYSA-N 404.814 1.811 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1587856879 TZFSQHMXKLRFMT-OAHLLOKOSA-N 415.523 1.902 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(NC(C)=O)CC1 1587879632 YTHDJZOTWACBGR-UHFFFAOYSA-N 414.535 1.788 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588035062 OWZWSQOYWGVTKL-XLIONFOSSA-N 424.567 1.746 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588044644 AFDHFYKUJLLMJK-PXNSSMCTSA-N 415.519 1.128 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1588045394 JZZUMLFVRSSBFU-HNNXBMFYSA-N 424.486 1.423 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sccc1C 1588083919 MDZRNBZGFPZXEN-OAHLLOKOSA-N 405.549 1.574 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn2ccsc2n1 1588089036 GKFRHHBOEKZLSE-HXUWFJFHSA-N 410.503 1.761 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCn2ccnc2C1 1588090386 WGJPIRJDAWIYSO-WMZHIEFXSA-N 422.533 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCC2)nc1 1588158504 DYRADBUQDSMQNP-UHFFFAOYSA-N 417.517 1.517 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1=O 1588248719 ANXCTCDFQLSCMS-KBPBESRZSA-N 408.252 1.542 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)CC 1588292843 DEGJUBHUFBDNJG-UHFFFAOYSA-N 405.480 1.073 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1588845192 XLVHFBGJUIPWAF-INIZCTEOSA-N 424.519 1.302 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@H]2C)CC1 1588913601 NZWUWPIYKAXSED-MJGOQNOKSA-N 424.549 1.922 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCC2)C1 1595723258 UDDNYOUCJQZNOY-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1596978649 RHJXUPXILGNFGJ-SJORKVTESA-N 415.494 1.992 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccn3CCN3CCOCC3)C2)nc1 1596978873 UCEFUILGYQORPP-IBGZPJMESA-N 408.506 1.804 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)C1 1611251292 KQKGNQHJLOJQRO-CQSZACIVSA-N 403.460 1.742 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1614470815 VCBHSDQWUKYQIO-LPHOPBHVSA-N 424.571 1.931 30 10 HDEE CCN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1615119776 GSSKSAOIGSRHSF-UHFFFAOYSA-N 409.494 1.387 30 10 HDEE N#Cc1cccc(C2(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CCOCC2)c1 1618071632 XUIUWVBVBDSMCH-UHFFFAOYSA-N 412.471 1.178 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)CC1 1618697845 HWMALDPMEUQGSC-ZLNRFVROSA-N 409.578 1.885 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1619878672 RHDCGNMJYDLOOD-WCRBZPEASA-N 424.549 1.992 30 10 HDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1623692301 BTXRNXHAGIPPLP-DOTOQJQBSA-N 421.542 1.385 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(C(=O)OCC)C2)s1 1625558263 VEHUEGILPVUNHM-GFCCVEGCSA-N 401.510 1.102 30 10 HDEE N#C[C@@H]1CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCO1 1628104807 FEKSXEXRWJKNQQ-CQSZACIVSA-N 405.252 1.271 30 10 HDEE Nc1c(I)cccc1C(=O)NCc1ccc(C(=O)NO)cc1 1634105037 XFZRHPMUKQZQBE-UHFFFAOYSA-N 411.199 1.922 30 10 HDEE C#CC[C@H]1CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634986285 GTBFOFBLBQWLKH-HKUYNNGSSA-N 401.482 1.898 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1cccnc1 1635421569 SJSOIHJSMFKDRA-BBTUJRGHSA-N 404.474 1.971 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(=O)NC)c2)c1 1636033176 XPEYSNOOUJXVAJ-UHFFFAOYSA-N 414.483 1.538 30 10 HDEE C=C[C@H](C)ONC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1636607108 RJGRGYOLKXBUCQ-KRWDZBQOSA-N 404.511 1.577 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 1636915592 JGERFRTUBWHXGS-OAHLLOKOSA-N 402.472 1.288 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1638074843 KTGCBRCTZASXPC-LJQANCHMSA-N 403.548 1.610 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1640186908 RSLALAJSMATTQQ-RHSMWYFYSA-N 410.923 1.745 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCOC)CC2CCN(C)CC2)c1 1642393546 DRYNKTUJJYNBDZ-UHFFFAOYSA-N 406.548 1.914 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 1643519878 JKYODZCVNNNWCF-RDDDGLTNSA-N 402.266 1.992 30 10 HDEE Cc1ccc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)cc1S(=O)(=O)NCC#N 1644008446 UCYWLPWZQGLTMA-UHFFFAOYSA-N 420.535 1.518 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1sc(S(N)(=O)=O)c(C)c1Cl 1644597245 UMGNZHHHJGJFBG-UHFFFAOYSA-N 406.913 1.774 30 10 HDEE Cc1nc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[nH]c1C 1645370141 ADTXZBHAUGFAKB-YOEHRIQHSA-N 401.492 1.929 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)CSCC(=O)N2CCOCC2)CC1 1647923504 YSFKSGWKSZWREX-UHFFFAOYSA-N 402.520 1.553 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1[N+](=O)[O-] 1652019882 MLTMPOWWQKNSGJ-UHFFFAOYSA-N 401.448 1.623 30 10 HDEE CCC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1654791543 RQMFSDMLZNSMJV-HXUWFJFHSA-N 415.513 1.525 30 10 HDEE CC(C)(C)OC(=O)NC1(CO)CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1655215472 DUWKLJXGPPBLTO-UHFFFAOYSA-N 409.508 1.793 30 10 HDEE C=CCN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1657599453 JLDFFOZPIBBUTM-IRXDYDNUSA-N 402.557 1.670 30 10 HDEE C#CCCN1CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1658126034 VCUFQAGCYGTZEI-LJQANCHMSA-N 412.490 1.040 30 10 HDEE CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H](O)c1ccc(Cl)cc1 1663201649 BMTLWBMAYXMQIH-JKSUJKDBSA-N 409.851 1.550 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)CC1 1663202379 OESCCASVBWNMPF-UHFFFAOYSA-N 400.522 1.377 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(=O)OC 1663616915 XPYFKGAJMSZSEB-MRXNPFEDSA-N 418.537 1.503 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 1665158474 AXYPSJGCIZPEEE-UHFFFAOYSA-N 412.577 1.992 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)NCCn2cnc(C#N)n2)CC1 1680972651 CUQIAMUCMLRGQT-OAHLLOKOSA-N 405.503 1.876 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682095134 FDKKCCBZZVLCHQ-IEBWSBKVSA-N 405.470 1.181 30 10 HDEE C#CCN(C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1683325903 AIHWBRLXXVPWMI-HNNXBMFYSA-N 400.541 1.966 30 10 HDEE C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCO1 1685484622 SHOOIAPYUGSNMP-IBGZPJMESA-N 406.508 1.533 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689884379 SWXODSMFDHZUTM-SFHVURJKSA-N 421.549 1.933 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1689908119 XKUNWJSIDUFNRU-INIZCTEOSA-N 410.526 1.751 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689991319 ZSBJKSDSRSPTRD-HOTGVXAUSA-N 406.533 1.519 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690023757 FHTUARGUMUEHLV-QFIPXVFZSA-N 403.530 1.918 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1690056121 GNIAHJZKWIHGQT-UHFFFAOYSA-N 411.510 1.156 30 10 HDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690227495 ANTXSKRYGUPJNC-UHFFFAOYSA-N 423.359 1.855 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)CC1 1690364673 VIXDSTOCSKEZDJ-ZIAGYGMSSA-N 417.626 1.893 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1690643491 CKVOLELOJGCCEU-MSOLQXFVSA-N 420.558 1.021 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(Cc1ccco1)C(C)C 1690655198 KLQAAIKOFMOTLJ-UHFFFAOYSA-N 400.483 1.824 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1690838367 HIKRCHKLUNJRRM-YCRPNKLZSA-N 410.478 1.025 30 10 HDEE CNC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1697010813 YMCCULIIHTVYHS-PMACEKPBSA-N 404.515 1.585 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697027409 ASGINFLKURZSML-HFUDNHEJSA-N 416.482 1.317 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)CC1 1698494182 HAIROZGMORDEAL-MRXNPFEDSA-N 402.499 1.542 30 10 HDEE C#CCOCCC(=O)N1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1705299088 AYVHOWKRHSYOBK-YENHRIDLSA-N 400.519 1.537 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CC)C(=O)C1 1705508689 RCGPSOKCBRWHTL-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705533530 OJYSIYGBBNYLAL-QGZVFWFLSA-N 420.473 1.375 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569428 HDYGLGNIRAKMOB-RBUKOAKNSA-N 421.611 1.834 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C(C)=O)C1 1705599213 JCCGDDRKTPBQRJ-NRFANRHFSA-N 404.518 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCC(=O)NC)CC1 1705649371 VCYCJMJTGASXBT-UHFFFAOYSA-N 412.469 1.186 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705667883 XNZGJWFZORUJSG-QGZVFWFLSA-N 418.567 1.834 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705828247 HQXYBYFBIJGXMH-UHFFFAOYSA-N 401.515 1.076 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOCC2(CCC2)C1 1705932240 QLIYWLOZVMVEPU-UHFFFAOYSA-N 419.551 1.891 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1706058616 HGNMAJXVRKHATR-PMACEKPBSA-N 424.505 1.727 30 10 HDEE CC1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706947844 FWCBNWYQXCUANY-OHTQGHCMSA-N 400.483 1.687 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)n1 1707832775 HERPFJHBFNOYKJ-LAUBAEHRSA-N 413.526 1.810 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)C#N 1709010974 DXQYNRPWBWDNJK-CYBMUJFWSA-N 402.503 1.365 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nnc(C)s1 1722377689 DUKYJKNBQBJTPW-UHFFFAOYSA-N 406.471 1.997 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(COC(C)(C)C)on2)CC1 1722440512 AVCBNPNGDOTCFF-UHFFFAOYSA-N 416.526 1.921 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722453208 PJCJSDIUYSUWGT-CABCVRRESA-N 421.523 1.677 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1722458765 SHBGWLBSRMPMNW-MRXNPFEDSA-N 401.540 1.582 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1722510509 VCGPKMULFZBYGF-VQHPVUNQSA-N 407.540 1.900 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722628395 BRPJQSOOJUGFBJ-JOCHJYFZSA-N 423.521 1.811 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1722632046 FWZZQXJSLNNSNB-UHFFFAOYSA-N 401.496 1.653 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722698513 GONRWTUGQHPLME-CABCVRRESA-N 401.471 1.160 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(c2cnn(C)c2)CC1 1722700748 SNRNEQIPDJHBBJ-UHFFFAOYSA-N 420.521 1.684 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCC2)CCOC1 1723694822 WVKGAKMHTCVRPV-OXQOHEQNSA-N 405.499 1.353 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1728801740 DXVJOMXEGQQQDP-RBUKOAKNSA-N 400.487 1.237 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1730762647 IOZSUZDWANDOOV-GOSISDBHSA-N 422.493 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1 1740540468 WAGKUWQNDSFUIX-VBKZILBWSA-N 402.520 1.968 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1740667609 JYDVVPMSNVBPNV-UHFFFAOYSA-N 407.478 1.664 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCS(C)(=O)=O)CC1 1740699239 ZERCHMUCIIQHMU-UHFFFAOYSA-N 415.563 1.253 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1740795277 RGDKNQDZFGZFEG-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740881624 MHKBNEIBQZOBDF-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740889948 NRVCLIRIKKWBRZ-YVSFHVDLSA-N 422.482 1.709 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1740945957 BHPYUTFGEOGJTQ-UHFFFAOYSA-N 407.482 1.745 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1741132588 IMARCWZTEGZGLB-CJNGLKHVSA-N 413.457 1.592 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1741257479 LLXZPDKZSUIXBW-HXUWFJFHSA-N 415.519 1.603 30 10 HDEE CCS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1 1747436479 CPUKXTVYFVFJSR-UHFFFAOYSA-N 418.523 1.658 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1748748260 WAESJNDHUCTSAK-UHFFFAOYSA-N 407.496 1.290 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748793610 DQAGDDHOGGNLHH-UHFFFAOYSA-N 412.494 1.627 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1748863999 MSNPETHXDBCJHT-AWEZNQCLSA-N 420.926 1.448 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1748947925 AGKJZYCFNWQIJJ-RTBURBONSA-N 416.570 1.721 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C/C=C/CC)CC1 1748986644 FJEOKPUONMMAPH-RMKNXTFCSA-N 417.517 1.913 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1749135744 IEKPUQOXMGFZJK-BJLQDIEVSA-N 417.554 1.943 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1749498910 NASHOZSRHAARRS-MUUNZHRXSA-N 401.536 1.950 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CCC1 1749666744 QYFOAQTUMFIIBY-UHFFFAOYSA-N 421.505 1.731 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)c1cc(OC)cc(OC)c1 1749671008 XTDQXOYRYZIOTQ-CQSZACIVSA-N 401.467 1.869 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1749721756 SSAOCVZPNDQJAV-QGZVFWFLSA-N 411.572 1.161 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCOCC2)CCOC1 1750062187 VFJWGERFAFBQSW-UZLBHIALSA-N 407.515 1.456 30 10 HDEE Cc1nc(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1751793628 WNIKUNFXCXKHEN-RTBURBONSA-N 418.477 1.430 30 10 HDEE CC[C@@H](C)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1\N=CC=CC1=O 1752740770 GKBBAHRYNXJFRG-MRSWSPKZSA-N 400.483 1.686 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760106418 CKXNPJDUDNLPEO-DOTOQJQBSA-N 412.519 1.556 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760144773 ASGILFYMVNDNLP-LSDHHAIUSA-N 405.528 1.029 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760186360 BXJDKSLSRSMUJK-FUHWJXTLSA-N 418.494 1.596 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1760233188 KBWFSCKYNICDMV-IBGZPJMESA-N 410.522 1.912 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(C(=O)NC)c2)CC1 1760257610 BIFOEPFNMRTJTQ-UHFFFAOYSA-N 417.517 1.631 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760278027 JGIAFLBHHLQBQH-HNNXBMFYSA-N 407.565 1.966 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760280829 VDBLWXQXAUNEAY-UHFFFAOYSA-N 424.534 1.720 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CCCOC 1760296034 XXLSKHWUHYFYCX-FXAWDEMLSA-N 423.583 1.141 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760323418 CYGPTQKTSYYYSG-PDOICOKGSA-N 403.527 1.589 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1760468907 MVKLMNXOBDKNGS-GASCZTMLSA-N 417.518 1.748 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1C(C)(C)C 1760528485 DNEZZUGXIXHVCV-UHFFFAOYSA-N 401.515 1.496 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCOC)C1 1760534097 RNBNUVNCMKAPGU-OXJNMPFZSA-N 407.515 1.083 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)CCC)C1 1760543190 QWXNLVVHFCWELI-FRQCXROJSA-N 412.556 1.513 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1760562310 FIHBVOCSQPOILZ-UHFFFAOYSA-N 415.567 1.517 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767043118 SDWYPMURDLOVRS-VJSMGTLGSA-N 414.388 1.307 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccncc2Cl)cc1 1770740549 IKCUXDDLLMKGGH-UHFFFAOYSA-N 423.864 1.762 30 10 HDEE Cn1c(=O)nc(O)c2c(C(=O)ON3C(=O)c4ccccc4C3=O)cc(C3CC3)nc21 1772790365 NEMNYCPEIKDDOD-UHFFFAOYSA-N 406.354 1.280 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc(F)c3)CC2)cc1 1849781860 HYPXEVNCXBRWRW-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)n1 1851628868 OVSRAWPDAQKYLZ-UHFFFAOYSA-N 416.425 1.967 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852458102 HRQGWFDAYZXCSZ-HZPDHXFCSA-N 408.414 1.678 30 10 HDEE Cc1nc(-c2ccnc(N3CCN(C(=O)CCc4ccc(C#N)cc4)CC3)n2)no1 1853244022 RYSMXAVAWFLCBV-UHFFFAOYSA-N 403.446 1.988 30 10 HDEE C=CCN1CCN(Cc2c(Cl)n[nH]c2C(=O)N(C)Cc2cn(C)nc2C)CC1 1853565272 ROVADFBATGCLBS-UHFFFAOYSA-N 405.934 1.681 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)CC1 1853651574 LBUSIFWKDISOFY-GOSISDBHSA-N 424.567 1.191 30 10 HDEE C=C(C)CN1CCN(C(=O)c2cnc3sc(C)nn3c2=O)C(=O)C12CCCC2 1853685182 AKSTYKROQGKNJT-UHFFFAOYSA-N 401.492 1.633 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc32)C(=O)C1 1853947574 VHAKNNOBJJAKSG-INIZCTEOSA-N 411.439 1.094 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2Cl)C(=O)C1 1853949043 WAVPERNMDUJMSX-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(OCC)nn2)C1=O 1854303314 XCGZXRLYMHHWDT-IAGOWNOFSA-N 415.494 1.115 30 10 HDEE COc1ccccc1CC(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855187018 OZGWZOJDKMEUNP-MRXNPFEDSA-N 402.428 1.657 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)nn2)cc1 1855436162 DCVKRUIWEFAUTC-QGZVFWFLSA-N 410.478 1.559 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855737621 HOZFGSADPQAODR-XJKSGUPXSA-N 407.467 1.835 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)C3CC4(CCOCC4)C3)CO2)cc1 1856458067 DMKFRPKSWLQTKA-MRXNPFEDSA-N 406.460 1.613 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCC[C@@H](N4CCC(CC#N)CC4)C3=O)C2)no1 1856538351 HBFQERFXNHAZFD-GOSISDBHSA-N 413.478 1.198 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CCCN(C4COC4)CC3)CC2=O)cc1 1856780085 SDCGSGOGORADNI-FQEVSTJZSA-N 410.518 1.272 30 10 HDEE C[C@H]1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1856987929 CJIKAMQIVISDQW-YJBOKZPZSA-N 403.504 1.127 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857066947 BHICWUBPTORTGE-NVXWUHKLSA-N 414.506 1.651 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)[C@H](C)C1=O 1857111286 ZDTGPPUIBSTNOA-CQSZACIVSA-N 419.503 1.310 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)CC1 1857127124 GEBLZRHGVWSFTJ-MJGOQNOKSA-N 416.522 1.015 30 10 HDEE Cn1ccc(CC(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)n1 1857243565 GLNBZZRCTGEFAO-INIZCTEOSA-N 406.490 1.484 30 10 HDEE CN1CC2(CCN(C[C@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)CC1=O 1857249980 BKGHHNIDILYMSP-LJQANCHMSA-N 408.502 1.420 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861205038 YGQCFCWKCHYDDS-WMZOPIPTSA-N 420.941 1.605 30 10 HDEE C=CCNC(=O)[C@H](CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613492 VATMHSZBWUFICU-WBVHZDCISA-N 401.463 1.413 30 10 HDEE CCN1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868781871 BRDXVFYUYPRZSG-KRWDZBQOSA-N 403.552 1.305 30 10 HDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(OC)cc1 1869931672 DKZCDTISOKBRLH-KRWDZBQOSA-N 417.487 1.708 30 10 HDEE C=CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCCC2)cc1=O 1870387439 DWWFHECSKWLLCG-UHFFFAOYSA-N 417.531 1.899 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(CC)CC)[nH]c(=NCCN(CC)CC)[nH]1 1871470850 CSHDEHULBHKBGL-UHFFFAOYSA-N 404.607 1.401 30 10 HDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871532949 XEFKGPOBQTTWED-UHFFFAOYSA-N 410.526 1.546 30 10 HDEE N#Cc1ncccc1OCC1CN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1891619826 YCFKQWPBVWTOKA-UHFFFAOYSA-N 424.482 1.488 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2011939019 GZVVBZONDHTVEB-DGCWBMGLSA-N 422.331 1.909 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 2022807084 NOKRKILNFKOHDI-AGIUHOORSA-N 405.289 1.251 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CC1 2118166005 HFVHBAKBLZQELA-ZWKOTPCHSA-N 422.507 1.140 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2c(O)nc3sccn23)CCN1Cc1ccccc1 2174093071 DVJYOKXVJMYVJO-AWEZNQCLSA-N 403.489 1.500 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(CNS(=O)(=O)CC2(C#N)CCCC2)C1 2175829687 JBLOLEXSOIAIAG-UHFFFAOYSA-N 401.529 1.609 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](S(N)(=O)=O)C1 2181109719 HUMDEQQPHWVSRC-ZIAGYGMSSA-N 402.517 1.243 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCO[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2185571311 PGRSUEVEFWULCX-OWCLPIDISA-N 401.529 1.822 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247830500 ZTMARFNBOMOYCM-UHFFFAOYSA-N 420.319 1.910 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2247844789 HXTYZTMNHCKXHU-KBPBESRZSA-N 421.278 1.915 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cnn(Cc3ccccc3)c2)n1 2255840006 GVFRNNFORLYJQQ-UHFFFAOYSA-N 422.298 1.289 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CC(C#N)C2)[C@H](C(F)(F)F)C1 2281054997 CPUBZDTZODGISW-NEPJUHHUSA-N 412.434 1.607 30 10 HDEE CN(CCN(C)S(C)(=O)=O)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281801802 UWEVXDUYTJHYGJ-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE Cn1cnc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282309182 BAWPFNTZXHTENU-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CCC1(CNS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2282313936 RVPVSFSYFNPQHV-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(C)CCCS1 2282344321 BCDKOBSUAMEDHC-INIZCTEOSA-N 401.363 1.283 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282508457 WQPJZZCAEYPVPC-NWDGAFQWSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CCNC3=O)cc2Cl)OC1(C)C 2282834708 MPXJGUFHXPIIHN-VIFPVBQESA-N 420.749 1.115 30 10 HDEE CN(C)C1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282878383 FMGZFKBPRLALNV-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415764 QDYCDBFBGOXOHL-LLVKDONJSA-N 401.315 1.745 30 10 HDEE COc1ccc(S(=O)(=O)N=C2NC(=O)C(=C3C(=O)Nc4ccccc43)S2)cc1 2297551796 WXESVJVRPVVJNP-UHFFFAOYSA-N 415.452 1.966 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@@H](O)c1cn(C)nc1I 2363525868 ITDBCOQRONOQTH-JQWIXIFHSA-N 402.261 1.544 30 10 HDEE COC1(C#C[C@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363728465 UKKVEXXBMFJYIZ-JKSUJKDBSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@H](N)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365204980 QPBZYKFVRVQVIJ-HUUCEWRRSA-N 402.557 1.945 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365208485 SGSLCKYBXUSUDA-JJXSEGSLSA-N 400.541 1.555 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)COC[C@H](C)NC(=O)OC(C)(C)C 2367797822 XERDCVKEAWEVMF-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2367798359 QHLCOLNJCLVPLR-JKSUJKDBSA-N 401.573 1.390 30 10 HDEE N#C[C@@H]1CN(C2(C(=O)O)CCC(NC(=O)OCc3ccccc3)CC2)[C@H]2CCN1C2 2371317955 IBNLVLACIFTSRO-LECRGTDLSA-N 412.490 1.961 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 27559577 CHNLTVHMUCIFNE-UHFFFAOYSA-N 415.563 1.747 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)Cn3c(=O)[nH]c4ccccc4c3=O)CC2)cc1 28885135 NACDNHUGYISCCB-UHFFFAOYSA-N 417.469 1.296 30 10 HDEE C=C(C)COc1ccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCC(C)C)cc1 66062111 LLPBXYAIGRLMJD-LJQANCHMSA-N 417.506 1.970 30 10 HDEE C#CCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)[C@H]1CCS(=O)(=O)C1 111048184 MESALTWAIVJMTQ-INIZCTEOSA-N 418.544 1.399 30 10 HDEE Cc1cc(Br)cn2cc(CCNC(=O)[C@H](C)n3cnc(C#N)n3)nc12 409925982 TUWZDTWYLYTKDV-NSHDSACASA-N 402.256 1.788 30 10 HDEE CC1(C)NC(=O)N(CCCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1=O 479221715 TWVHUVCHRDSDEE-UHFFFAOYSA-N 411.506 1.772 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 480111015 CIRAMHDBUSWEJJ-KBPBESRZSA-N 416.507 1.420 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 488266388 PNARWRFDFRIDEI-FHWLQOOXSA-N 409.490 1.359 30 10 HDEE CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 499826379 GKKGOTLEGVWZOR-QFIPXVFZSA-N 421.501 1.822 30 10 HDEE C=CCn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(F)(F)Oc1ccccc1 508864831 QTKGSETYDCIYCP-UHFFFAOYSA-N 420.464 1.851 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 508867440 PYQUCUBCSCOMGT-HXUWFJFHSA-N 412.538 1.810 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(Cc2ccco2)c1C 510657159 IIVZRAOOQJRHFJ-HNNXBMFYSA-N 419.507 1.309 30 10 HDEE C[C@H](CC#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 512047526 WQPJLTWFJGFTAK-SNVBAGLBSA-N 402.270 1.221 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1 515646503 JMSPBLFWBFAQKE-IBGZPJMESA-N 407.449 1.585 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)cc1 517062418 PGVUVAGFJBYLAC-VQTJNVASSA-N 421.482 1.695 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)C1=O 518409943 HVXRWNYPWQQAAL-ZDUSSCGKSA-N 420.416 1.022 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 534198017 QFOOGRQZGWVFMN-MRXNPFEDSA-N 423.477 1.219 30 10 HDEE CC(C)N1C(=O)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1(C)C 540552546 QKKMLLHPJPQGJW-QGZVFWFLSA-N 417.579 1.788 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)ncn4)CC3)cc2)CC1 540720147 RDDTWUFXFGQAEE-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544843432 RVTWNIOXMCPDQS-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)n1 545505282 NRKNYQDIJCWVNW-UHFFFAOYSA-N 424.530 1.121 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cn1 554913119 GDLLBXURAYEATF-UHFFFAOYSA-N 415.479 1.171 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 609632838 XTDBGUXABCKIEU-INIZCTEOSA-N 404.536 1.620 30 10 HDEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456501 FWGZMSVXMAHFLJ-OAHLLOKOSA-N 413.503 1.355 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3nnn(C4CC4)c3C(F)(F)F)CC2)c1C#N 616015480 WGBIZYOEEHFVRT-UHFFFAOYSA-N 408.388 1.508 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(=O)O)Cc2ccccc2)c1 728155268 XLKGSQYTSDLDCK-UHFFFAOYSA-N 400.456 1.715 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 730144442 MFHBUFZTTVTLKU-MRXNPFEDSA-N 422.938 1.981 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028635 KOBQENBQFUMLPR-ZIAGYGMSSA-N 405.407 1.925 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)cn2C)cc1 751733767 IAJVKCZAOYXPAS-CYBMUJFWSA-N 418.475 1.767 30 10 HDEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 752150773 MPZVNARALHVGOH-UHFFFAOYSA-N 400.504 1.334 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 755218739 HWTMCSNJLGBDLU-LBPRGKRZSA-N 402.394 1.084 30 10 HDEE CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760389157 UTVQKPGRBVRSJD-SFHVURJKSA-N 403.504 1.880 30 10 HDEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 764240415 IAZOKAFXURPRMA-YOEHRIQHSA-N 405.524 1.967 30 10 HDEE CS(=O)(=O)c1csc(C(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 767431119 DFULSBAMOUAUOT-GFCCVEGCSA-N 406.441 1.884 30 10 HDEE Cc1ccc2c(CCNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cn(C)c2c1 781098333 OIYHZYOOIUSDBZ-UHFFFAOYSA-N 410.499 1.884 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)ccc1C#N 810866501 DURLESKJXUSGDL-QFIPXVFZSA-N 406.442 1.959 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)c(C#N)cn2)cc1 1128863785 GJMRSPOZYBAFPW-AWEZNQCLSA-N 410.430 1.822 30 10 HDEE C=CCn1cc(CNC(=O)c2cc([N+](=O)[O-])ccc2I)nn1 1129930738 QVLUDKUZHSKYDT-UHFFFAOYSA-N 413.175 1.907 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134056549 QUAWSTTXWRZPDQ-ZWOKBUDYSA-N 417.487 1.184 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(Br)ccc2C)CC1 1144026081 IMJRAUAYWCTHDQ-UHFFFAOYSA-N 406.324 1.584 30 10 HDEE C=CCC1(O)CCN(CC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1 1176272591 JRLISYUKYFAPNE-UHFFFAOYSA-N 401.507 1.178 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCOC[C@]2(CO)C1 1198164336 HKFLMXBPFGSSLQ-OXJNMPFZSA-N 404.536 1.256 30 10 HDEE C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336473 JYVGWVVGDIOLLA-DBQHQPDYSA-N 423.363 1.579 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCN2C[C@H]3CCCCN3C2=O)C1 1225939394 ZLULTPINZGXUDF-XHSDSOJGSA-N 420.514 1.335 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1248553275 RILWLGWKVBUYOL-GOSISDBHSA-N 415.490 1.365 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1253133058 BRZGFXLTFBSIEK-UHFFFAOYSA-N 401.916 1.949 30 10 HDEE CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])[C@H](C)C#N 1280443377 GROMWRJPNHLXFY-CYBMUJFWSA-N 412.468 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1286296665 QORMNHQKHDFBLZ-LSDHHAIUSA-N 406.483 1.856 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286327507 JBXUJOLSHPHYNH-SFHVURJKSA-N 421.505 1.540 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286389307 HWCZRKGDLBODAK-NXHRZFHOSA-N 406.552 1.723 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCSCC)CC1 1286469846 NGHFWIRRZIHGBP-UHFFFAOYSA-N 413.551 1.824 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1286517056 BZKMCCRUMZVXBJ-HXUWFJFHSA-N 415.519 1.429 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC(=O)N1 1286755467 AACLIWSSSFAKCY-MRXNPFEDSA-N 405.466 1.378 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286765223 AMPIBNRPMZNDND-INIZCTEOSA-N 407.540 1.950 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286784953 ZRKUVOHYBHYUMH-NRFANRHFSA-N 407.478 1.081 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286786616 HTGDJYLFSCJQRR-MRXNPFEDSA-N 423.521 1.446 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1286792595 CPCNPCOPQXELJX-QGZVFWFLSA-N 403.458 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1286817800 YHXBCGARVVTSJT-HOTGVXAUSA-N 418.519 1.922 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1289086247 ZKDXFRXPIOXEHP-ZFWWWQNUSA-N 413.482 1.547 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CN(C)C1=O 1291525090 ZYLGOHIXQODBOL-LRTDBIEQSA-N 409.494 1.805 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cnccc1OC 1293214877 AEDAZVVHOCDKEP-SFHVURJKSA-N 417.473 1.983 30 10 HDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1295933042 CCXIRULIIDOZTK-QGZVFWFLSA-N 420.477 1.305 30 10 HDEE CO[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCOC1 1299808696 FATPPDUBFXDELP-LPHOPBHVSA-N 423.539 1.116 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)C(C)(C)C 1300267678 IJAAZWDFKUKMGH-AWEZNQCLSA-N 411.572 1.868 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1300448811 HNYAFJPQFPQMOB-UHFFFAOYSA-N 421.523 1.313 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1300472824 KHJLQOSINLDIEA-UHFFFAOYSA-N 421.549 1.824 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300495079 CLDNQNAZRLIRLF-HZPDHXFCSA-N 420.560 1.909 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1300601265 FEXFXDKBPIVMLS-OAHLLOKOSA-N 421.571 1.557 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1300630483 CKCJMYURHGFTSI-OAHLLOKOSA-N 402.476 1.417 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CCCC)CC1 1300683244 XZBJCFLPPZHDOP-UHFFFAOYSA-N 424.553 1.413 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCCC2)CC1 1300697667 GNUGLPZDZIJKDA-RTBURBONSA-N 413.570 1.106 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(C)(C)C(=O)NC)CC1 1300706417 LKVJFVCMBCPSMX-UHFFFAOYSA-N 422.577 1.981 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1301044182 GINFRXAATBLFAN-AWEZNQCLSA-N 401.920 1.520 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 1301079741 JTILCVWMAMLWCC-QGZVFWFLSA-N 401.559 1.412 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1301141069 IHOOWEBAJMDUDQ-MRXNPFEDSA-N 421.509 1.835 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301154901 BRIMHYYUWMOFNV-NRFANRHFSA-N 400.527 1.862 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1301170171 OSRINCFBRMWOQR-HNNXBMFYSA-N 407.544 1.540 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnnn1C 1301170172 OSRINCFBRMWOQR-OAHLLOKOSA-N 407.544 1.540 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301249381 SVWBWQFOSOAOFU-UHFFFAOYSA-N 413.526 1.720 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1301422788 XBPJAMPGLOIKBV-CVEARBPZSA-N 413.478 1.708 30 10 HDEE C=CCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301473602 FHSFODCKZTVNSU-VQIMIIECSA-N 412.556 1.908 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(N)=O)nc2)CC1 1303000120 AMVFDWPAQGUYGI-UHFFFAOYSA-N 402.462 1.546 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1303047701 XWQMUTVPZGIAFK-HNNXBMFYSA-N 422.551 1.682 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)C1 1303933606 MFMWJGFZELOTKP-FOIQADDNSA-N 411.466 1.269 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](CC(F)(F)F)C3)CC2)o1 1307949059 NLLFGEHLZORQOV-ZDUSSCGKSA-N 401.389 1.157 30 10 HDEE CNC(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 1311017660 DLHBQLYCZMXSEB-ZDUSSCGKSA-N 409.450 1.459 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1312789519 QWSHLHYOSUSZGS-QGZVFWFLSA-N 420.554 1.306 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)cc1 1316100863 BRKRAFKLIJWPGS-SFHVURJKSA-N 412.494 1.686 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@]1(C)COCCO1 1316101842 OKMXWNBFDFKJSC-HXUWFJFHSA-N 400.483 1.436 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n(C)n1 1318823989 HKBUMLLJECZJGD-DOTOQJQBSA-N 407.430 1.302 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 1325160565 YOWOXHVIVOBXRC-ZDUSSCGKSA-N 405.879 1.744 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCCO2)n1 1329546472 WABALBYMSGSAML-VQTJNVASSA-N 424.553 1.885 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1350773708 GXUBGGBHRINBIT-RTAFMGCNSA-N 406.508 1.909 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1358889408 BQAHSVFQUAYDLX-DAYGRLMNSA-N 416.503 1.683 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1358896449 DMURLDGGKJPVRC-OAHLLOKOSA-N 404.515 1.773 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCN1CCOCC1 1358945436 GTLLNKLWRXRTBO-UHFFFAOYSA-N 405.506 1.923 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1358975687 AMYDXYUWNSRZSA-UHFFFAOYSA-N 410.503 1.059 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1358979216 GPFBCWZRBPYGSM-UHFFFAOYSA-N 423.608 1.318 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)C)C1 1358997578 XULNYGMMFGUHEO-FQEVSTJZSA-N 410.566 1.984 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1359024644 RUMXNRASYSZDLW-OAHLLOKOSA-N 423.564 1.274 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2sccc2C)CC1 1359028372 PUHKIUFSMXLTAO-UHFFFAOYSA-N 400.552 1.784 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC2CCCC2)CC1 1359028823 FNGQJGICGYNVJJ-KRWDZBQOSA-N 422.599 1.614 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1)C1CC1 1359252856 IPECAWQHSCAEDF-UHFFFAOYSA-N 406.494 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCOCC 1359293478 QVUUWGZCWUGJAO-UHFFFAOYSA-N 411.304 1.811 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOCC1CC1 1360683035 AXYKDUFXUHQWPP-CXAGYDPISA-N 414.507 1.147 30 10 HDEE C#CCN(C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)[C@H]1CCS(=O)(=O)C1 1435070266 YOQLHTNRWWPWEP-INIZCTEOSA-N 417.483 1.692 30 10 HDEE COC(=O)[C@]12CCC[C@H]1CN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1438936613 RRFONSBOUFOPLC-YHEJKZAPSA-N 424.457 1.565 30 10 HDEE Cc1cc(CSc2ncccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)no1 1439797490 QQMZDSGTWFDKEW-SCLBCKFNSA-N 418.500 1.681 30 10 HDEE CC1(C)OCC(CO)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CO1 1448672433 FOKWJEUHTDYJTJ-UHFFFAOYSA-N 424.295 1.387 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1448772240 HSGYJJHBUCZHCW-KRWDZBQOSA-N 413.478 1.332 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@@H](O)[C@@H](CO)C2)CC1 1451608111 BHBVMDCQHYOMKK-GDBMZVCRSA-N 400.435 1.224 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1455476244 JNWPEMAOWMEOGE-UHFFFAOYSA-N 408.483 1.713 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(OCc4ccccc4)ccc3O)C2)c(=O)nc1O 1457196132 CIAMKUXFFRLYPB-UHFFFAOYSA-N 418.409 1.802 30 10 HDEE Cc1ccc(C(=O)N(C)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 1461303719 IBLBIHONUUMCLK-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE C#CCCN(CCOC)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1470459372 BRIDEAGGYPDMRC-UHFFFAOYSA-N 417.531 1.913 30 10 HDEE CN(C)CC#CCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1471035287 CHZZFWZEKGXHNG-UHFFFAOYSA-N 408.705 1.045 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 1471105226 KPLHDARGKLCMKP-LUQKVYGDSA-N 419.547 1.761 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O 1471252150 MEUCIAZZPTTZSB-LBPRGKRZSA-N 408.252 1.717 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1471351819 HUYWWDWNYXPKGE-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)cc1 1472439013 UCZXNHYCNWJHSQ-ZDUSSCGKSA-N 400.382 1.365 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1478284699 NIEHIOBIFKUKFC-KSSFIOAISA-N 401.529 1.819 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCc3cc(Cl)nnc3C2)C1 1478403973 ONRBKMHENNRDMD-STQMWFEESA-N 406.874 1.957 30 10 HDEE CN1C(=O)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2ccccc21 1478568314 OMIXEEYPLLVXGC-IBGZPJMESA-N 417.469 1.847 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)cs1 1492675439 YQYBTFPGMKZXJU-MAUKXSAKSA-N 406.487 1.881 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1493417933 DILKLTDTCUMULE-XOJOWECISA-N 414.510 1.933 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1494105840 DUSNEASOICEFMW-MMEWPQADSA-N 412.519 1.395 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1502241941 HXQRMUCOZWWROB-KRWDZBQOSA-N 422.493 1.861 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1502347050 SVKZUHWTRMQIHW-UEXGIBASSA-N 419.549 1.845 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507596933 RKWLASVQTPJCHF-MUGJNUQGSA-N 417.554 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1507612239 ORKMJHJJLVFMPW-UHFFFAOYSA-N 402.476 1.568 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507844446 KAZSCFGZVOYJLF-SFHVURJKSA-N 420.558 1.323 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1507965945 SKSWBBZYLXWTQI-ROUUACIJSA-N 404.559 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1508135691 NLDRCDSVDAOKGN-UHFFFAOYSA-N 415.563 1.477 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(C#N)o1 1509585279 RGQHGTGWKSIXCH-STQMWFEESA-N 422.511 1.187 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccsc1 1510188006 BWNXKKIWRUUXQT-WBMJQRKESA-N 412.516 1.634 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN(C)CCOC 1513916559 GDLNYZQSXWTPGS-UHFFFAOYSA-N 415.517 1.756 30 10 HDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1O 1518245186 ZXNJAQLPCZCFHC-HNENSFHCSA-N 412.450 1.464 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCC[C@H](C)C1 1519162709 HEBOIXLZXFVAHQ-IRXDYDNUSA-N 403.531 1.328 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 1519275195 DSXJDSXMJUVPPK-KBXCAEBGSA-N 406.466 1.205 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1 1521583842 PHHAMWDWLUNTNK-ZNMIVQPWSA-N 406.435 1.752 30 10 HDEE C=CCn1cc(C(=O)N2CCCC[C@H]2CNC(=O)CCNC(=O)OC(C)(C)C)nn1 1524141822 JWYUBRNZEFBKFU-HNNXBMFYSA-N 420.514 1.490 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)nn1 1529265057 QXIDGQWRLSQMSL-MRXNPFEDSA-N 403.508 1.490 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 1530699763 FLTVUNAIPUOBIF-UHFFFAOYSA-N 419.894 1.941 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CCC2=O)cn1 1530967323 WVKFXFNVQRTDSD-RBUKOAKNSA-N 406.490 1.400 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1539002844 IPFPPZLJCYBADA-AWEZNQCLSA-N 417.477 1.310 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1539105272 ZGZJHHPUCMVAHL-INIZCTEOSA-N 406.450 1.334 30 10 HDEE Cc1c(C(=O)Nc2c(N(C)C)cccc2S(=O)(=O)N(C)C)cnn1CCC#N 1539132005 NIGUXGXGPYUPNC-UHFFFAOYSA-N 404.496 1.674 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1539147827 KIEXNNXJBXXKRH-VQTJNVASSA-N 407.584 1.825 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@H](C)CC 1539155105 RICJJEGTQGVESP-OAHLLOKOSA-N 417.535 1.723 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539230630 JKOJACLSDPQPEB-OAHLLOKOSA-N 407.496 1.094 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(CN2CCCC2)cc1)c1cc[nH]n1 1539394403 MDCLSZPFCLMZHM-UHFFFAOYSA-N 413.478 1.606 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CC 1539539612 WCLSOPSEAHUPTM-ABSDTBQOSA-N 422.599 1.755 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N(C)CC(=O)N1CCOCC1 1539640830 JZJGMTQBUIFPEZ-QFBILLFUSA-N 407.515 1.091 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1539744197 DXJIWXZWCGMRSN-CQSZACIVSA-N 417.466 1.598 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539824399 RQGJBDARCVLZCG-OAHLLOKOSA-N 417.901 1.703 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1541724724 WMGNXYXZLUGDCH-LEWJYISDSA-N 416.526 1.537 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCOCCS(C)(=O)=O)C1 1541989606 OSAKKKPACUPQTD-SFHVURJKSA-N 406.512 1.464 30 10 HDEE O=C1CN(C(=O)c2ccc(CNC(=O)C(=O)/C=C\c3ccc(F)cc3)cc2)CCN1 1544469294 AOPSOCRWLZLJOW-YHYXMXQVSA-N 409.417 1.296 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1555682878 OCQOSAHWSIIWKA-MSOLQXFVSA-N 421.542 1.980 30 10 HDEE COCCOCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555719735 OVVBZWIYWOXTLM-UHFFFAOYSA-N 416.530 1.305 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1555736734 AIGDGNLHKLZPJH-FKKBTLCVSA-N 405.499 1.282 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(NS(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557879990 BGWWWNUXDAXSNL-SFHVURJKSA-N 416.544 1.116 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)C(=O)OCC 1557934348 JFHWJFRXEFDSNL-HNNXBMFYSA-N 402.900 1.772 30 10 HDEE C#CC[C@H](COC)NC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1563793720 HUTLLTWPCBQNQQ-QGZVFWFLSA-N 407.536 1.787 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CC1 1565444566 UWFVZOXZVRCCCM-INIZCTEOSA-N 411.441 1.303 30 10 HDEE CCN(CCC#N)C(=O)CN(C)CC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1567749639 KKEAUQHUNGDBPL-IYWGDAJJSA-N 402.539 1.342 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1568888505 QSPAXUSWMVAUBD-HZPDHXFCSA-N 415.556 1.423 30 10 HDEE CCc1ccc(C(=O)Nc2cccc(CC#N)n2)cc1S(=O)(=O)N1CCOCC1 1583314255 TUMKGLHEZHETPA-UHFFFAOYSA-N 414.487 1.983 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC[C@H]3C)c2)nn1 1584318954 BNXROIANSIUFCN-OAHLLOKOSA-N 403.508 1.957 30 10 HDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1CCS(=O)(=O)CC1 1584393504 CNOWQXVUHYMEDS-CYBMUJFWSA-N 403.426 1.676 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(NC(=O)OC)CC3)ccc2c1=O 1585639139 SWCWAACHHAJVSM-UHFFFAOYSA-N 402.476 1.832 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1586914334 FBIVRXZHZUKFIK-UHFFFAOYSA-N 402.491 1.864 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1587640737 UXOSFMFUZMSHIY-JKSUJKDBSA-N 407.540 1.041 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1588054564 OFYLTYRVNHNOIZ-MDZRGWNJSA-N 424.592 1.694 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@](=O)CC)CC1 1594191997 BRHJWEGLYLTUSD-ZJWNCGCPSA-N 403.574 1.059 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1594627761 XAWYXBMJLQHEMX-SJORKVTESA-N 411.572 1.904 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1595119873 ILNXLIGWAGVVPS-UHFFFAOYSA-N 406.494 1.770 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCS(=O)(=O)C1 1595303334 QSCTZZIITCRPSS-QGZVFWFLSA-N 405.524 1.337 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1595594307 MXLPRYGXPKAUTD-UHFFFAOYSA-N 408.503 1.031 30 10 HDEE C#CCN(CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)C(=O)OC(C)(C)C 1596742032 ULGYSCFCJZCOBX-OAHLLOKOSA-N 401.529 1.177 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1612267280 TXINBONNLKTTEW-MGPUTAFESA-N 411.441 1.684 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCc1n[nH]c(C)n1 1614071052 DPMGWOUPZNCRTR-MRXNPFEDSA-N 405.466 1.201 30 10 HDEE CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)nc1 1616303513 CWVZERYFBCYTDW-UHFFFAOYSA-N 414.487 1.570 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)CC(F)(F)F 1616824951 TVWIHHVFMOSIKP-UHFFFAOYSA-N 413.215 1.957 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1618029985 PABFBBJBGUGGJV-AWEZNQCLSA-N 415.968 1.722 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1618050273 GFQAYQSLWKHTKU-MOKVOYLWSA-N 407.471 1.877 30 10 HDEE COc1cc(CCO)ccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1618432935 FPNIZIOLQCOVPB-SFHVURJKSA-N 422.441 1.945 30 10 HDEE COCc1nc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cs1 1619671983 CTYSFLUTFSPNOI-UHFFFAOYSA-N 410.507 1.831 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1620346438 AWXFQXUAEDGCQL-GUYCJALGSA-N 405.459 1.002 30 10 HDEE CC(=O)Nc1cccc2c1CN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 1620490593 DLNQLSUYSKKEGD-UHFFFAOYSA-N 422.489 1.520 30 10 HDEE C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1624771895 QEIIUGZSJWDBPC-CZUORRHYSA-N 414.466 1.941 30 10 HDEE CC(C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1F 1627136191 ATVAMXDQUOXMHL-ORAYPTAESA-N 417.466 1.540 30 10 HDEE Cc1ccc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc1S(=O)(=O)NCC#N 1629232982 JLDGFHVMFFXILB-UHFFFAOYSA-N 413.381 1.536 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1632688527 SZSSQKDZIGYXQL-LZLYRXPVSA-N 409.508 1.174 30 10 HDEE COc1ccc(CN(CCO)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1634107894 HPAKUUKFXRLZCT-AEFFLSMTSA-N 418.494 1.958 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1634594028 SLFWVMQONCYFMZ-FUHWJXTLSA-N 419.551 1.544 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](C3CC3)[C@@H](CO)C3CC3)C2=O)cc1 1636116751 COCRFRNIRUZFGE-NSHGMRRFSA-N 410.474 1.677 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(OC)c(F)c1 1636438320 YCUYPMHCDISDPH-NVXWUHKLSA-N 417.485 1.121 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nncn2-c2ccccc2)s1 1636586840 AYTFYXQAZTTYBZ-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cn1 1637454918 GHKCECSFGCVHBG-IEBWSBKVSA-N 420.391 1.413 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(=O)nc1O 1637739727 AYMFNTLJEXKKDE-CYBMUJFWSA-N 419.235 1.613 30 10 HDEE C#CC[C@H](NC(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1)C(=O)OC 1638831727 CWUHJEIKPBCJIJ-HNNXBMFYSA-N 402.476 1.704 30 10 HDEE C=CCn1c(SCC(=O)N[C@](C)(CO)C(=O)OC)nnc1-c1ccc(Cl)cc1 1638857468 KWIWOSHKLMEXAX-GOSISDBHSA-N 424.910 1.917 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1F 1639274218 HYEMEVATWFTRMP-LIRRHRJNSA-N 417.387 1.796 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 1640973690 GFXWOQBSHPBUNX-KRWDZBQOSA-N 418.494 1.715 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1641836784 JZEARFVOLFKANO-GOSISDBHSA-N 417.531 1.959 30 10 HDEE C[C@@H](C#N)CN(C)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1644491966 GQSLDRCOWRXLPD-KRWDZBQOSA-N 408.524 1.362 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2CCOc3ccc(Br)cc32)c(=O)nc1O 1646149001 YWENVFZYPPHQRI-GFCCVEGCSA-N 419.235 1.266 30 10 HDEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1C#N 1651926252 HYUWZTIRKFIZFO-CYBMUJFWSA-N 419.528 1.869 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1652172646 GOZBGCUKVRYYQR-AWEZNQCLSA-N 415.968 1.768 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(F)cc(Br)cc2F)CC1 1660575100 ODIJQTIRNZCYQK-UHFFFAOYSA-N 408.268 1.313 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1662905195 MFFJYKSALRSZHY-LJQANCHMSA-N 406.504 1.699 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)C1 1663712000 GTUWXXOZOBLGHI-YMGMXPECSA-N 405.524 1.620 30 10 HDEE CC#CCN(C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1665531951 XOFPMPGJJLYWIZ-UHFFFAOYSA-N 406.490 1.855 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1668875986 URBJVGXZYPKSHV-INIZCTEOSA-N 416.482 1.400 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c1=O 1670409868 BBINFORNHVWPPB-UHFFFAOYSA-N 410.434 1.032 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)c(C#N)cn1CCOC 1670537190 DGJJGWHWLSQZKU-HUUCEWRRSA-N 417.466 1.458 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(F)c(Br)cc2OC)C1 1671459428 RARVHNIGSQRPEY-LLVKDONJSA-N 405.289 1.973 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1 1671634698 ICMYYQIGFWQRFU-UHFFFAOYSA-N 417.325 1.842 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 1674046221 JBEZOHSXWDTYIB-UHFFFAOYSA-N 411.377 1.727 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1676514301 VYEUMLNDOCCDNX-LJQANCHMSA-N 418.563 1.758 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1680781644 KGAKXEMHTWOSIA-RNFRBKRXSA-N 401.254 1.397 30 10 HDEE CS(=O)(=O)CCCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1683315109 HYLLPTKUTOBWOZ-UHFFFAOYSA-N 406.508 1.743 30 10 HDEE C[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c2ncnn21 1683984599 DSLLCXYKNOIMSV-SJCJKPOMSA-N 423.456 1.995 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1685441370 KQQSKQWGVJSTIQ-UHFFFAOYSA-N 414.557 1.209 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 1685726962 GVMBYVHNXIIUFG-OAHLLOKOSA-N 421.397 1.683 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1)C1CCN(C)CC1 1687854368 CPFQJZNIAWMKRL-HNNXBMFYSA-N 407.536 1.899 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1689888590 NBOXYONJRTVGQJ-QGZVFWFLSA-N 415.542 1.617 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1690026783 LIPZGKBRYMRSSP-UHFFFAOYSA-N 404.474 1.716 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1690067842 MUGOQCMAKVHPBR-HNNXBMFYSA-N 424.461 1.164 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](F)COC)CC1 1690114829 ILVZCYOXXDRBNQ-INIZCTEOSA-N 402.430 1.593 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1 1690245696 LVCBSJBMHMUAQW-NTDBWNAOSA-N 416.526 1.315 30 10 HDEE CC(C)c1nnc(N(C)C[C@@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1690992886 AXKMLHIXVXCQJM-AWEZNQCLSA-N 400.574 1.376 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1692545507 RUFJREICQINVGV-SJORKVTESA-N 414.466 1.313 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCS1 1693773149 HUFLNZPJGHZWKF-CQSZACIVSA-N 422.518 1.912 30 10 HDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCC(=O)N(C)C)CCO2 1693878669 GJPHNRQDICHXLA-KSFYIVLOSA-N 424.505 1.679 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCC(=O)N(C)C 1705544230 IUULLJAPHRTNNW-UHFFFAOYSA-N 407.316 1.984 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1705551123 HBWXTGVKMINIOI-QGZVFWFLSA-N 421.498 1.062 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1 1705573496 HVQVULKHUJPALY-HNNXBMFYSA-N 403.483 1.343 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1705597005 SXOWQDVQDXUMJE-IBGZPJMESA-N 418.501 1.431 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705658693 XQZKWAJSBLVDRQ-OAHLLOKOSA-N 413.551 1.540 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705899695 CXHAJDRHGXYEAK-HNNXBMFYSA-N 413.526 1.707 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705907977 DIAMSGZYTOYHNM-WWMYMODYSA-N 419.526 1.238 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1711010309 BLJAVDHVXHYFDA-MRXNPFEDSA-N 408.572 1.508 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1712053627 HPVPKESIYVSCOC-GOSISDBHSA-N 424.505 1.714 30 10 HDEE COCC1=CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712220629 XFPHFLCSYVDEHO-CZIZESTLSA-N 412.494 1.855 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC2CC2)C1 1722323870 IDDVNVYIIRALRD-WBVHZDCISA-N 409.556 1.697 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@H]1C 1722330655 WEMWCJZKBMYRSD-OAHLLOKOSA-N 402.524 1.877 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1722410033 OSMIHPHVBDMJAK-FQEVSTJZSA-N 413.551 1.403 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1722413729 QRTHRFKWTZJTAB-FJIDUMEYSA-N 421.567 1.507 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722534932 SQQKMRGVWNRNIF-IBGZPJMESA-N 415.542 1.572 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC1 1722566167 LIKCLSXJSDFSJV-OAHLLOKOSA-N 421.498 1.950 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1722675246 YROYYGHSNFFWLO-FQEVSTJZSA-N 416.482 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722726802 FNKRCECZJMGPPK-MRXNPFEDSA-N 420.539 1.179 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1724012646 YUZWHHZEWIPPRJ-KKSFZXQISA-N 422.493 1.382 30 10 HDEE CCc1nnc(N2C[C@H]3CC[C@@H](OC)[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727634289 VNCMVOMMIMLKLQ-LDNGYSAPSA-N 400.483 1.228 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(C)c1 1729071470 UITXEEYVFKDLQK-UHFFFAOYSA-N 407.482 1.190 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1740533629 HNUPNOHGBNJCGY-ZWKOTPCHSA-N 402.543 1.329 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740553129 UGCWAPJJBSWBDH-MSVBSMQLSA-N 422.464 1.992 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1740600638 PYPVWAXWQNVYDT-DENIHFKCSA-N 419.570 1.745 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740945744 REXIXEXEQLREEU-UHFFFAOYSA-N 417.901 1.754 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740961357 UMTUCIVNEWSKLO-HXUWFJFHSA-N 401.515 1.264 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740962483 FJCIJONKGSQXGW-HXUWFJFHSA-N 424.549 1.718 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCC[C@H]1C 1744696238 BKXXTEHUCRCPQU-XFQAVAEZSA-N 410.526 1.768 30 10 HDEE CCCCN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1745420541 ZZJLTQYXYGAQPH-HNENSFHCSA-N 415.498 1.163 30 10 HDEE CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1745453841 HHIDWOIISCEUBH-UHFFFAOYSA-N 413.530 1.457 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)CCOC1 1746668573 HSHFBSOBVWFPDG-VQTJNVASSA-N 421.567 1.928 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](COC)C1 1748734725 JDSJOLVWYGQZFW-KRWDZBQOSA-N 418.519 1.614 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1748776763 PDYMQJYLHQKGKW-UHFFFAOYSA-N 413.507 1.231 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1748935439 SXIRKDABDNHLMN-UHFFFAOYSA-N 418.448 1.947 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C1CCCCC1 1748959971 CEICEXDQQLAFAN-GOSISDBHSA-N 402.543 1.580 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749038882 MKSKXWOLZSUPFH-SJORKVTESA-N 405.568 1.889 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1749114958 JOKVCOOECVVUGH-IKGGRYGDSA-N 419.526 1.787 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1749670400 SQVSDZIPKCIAOI-UXHICEINSA-N 424.549 1.795 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749731873 MSPRHQJXGQUDFW-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1749743864 BAQVSSYHMUWQEG-YOEHRIQHSA-N 417.601 1.813 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2=CCCOC2)cc1 1750383918 HGRUHYMUMIQDTG-GOSISDBHSA-N 422.489 1.777 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1751089801 PJSJJFQGSIDQIP-GUXCAODWSA-N 402.499 1.591 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760151428 BDEFMCCJPDENMK-KRWDZBQOSA-N 416.551 1.861 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCOCC1 1760223712 JJVYTAPQADUWTR-FQEVSTJZSA-N 409.538 1.323 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760327424 GZVPYPAFEDCWPN-GGPKGHCWSA-N 416.526 1.898 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1760340651 IZBUTRDHYHJCQD-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COC)C1 1760351442 GTQMZBXVARIEBS-INIZCTEOSA-N 400.483 1.991 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)C1 1760541507 DALJWDQMUYFNNR-HUUCEWRRSA-N 404.515 1.315 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCSC2)C1 1760547659 OXAYQIQZLADUAD-BOSXTWCSSA-N 424.567 1.651 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760677700 TYNQUBISHYUIKU-GOSISDBHSA-N 407.478 1.154 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1760696660 SGUMIFQEFPGDKJ-CVTQAYBASA-N 420.477 1.386 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1=O 1761126108 SODBIGZQWYGWAL-UHFFFAOYSA-N 408.466 1.496 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC(F)(F)CO1 1763111946 ASAOFGSJFGUMSQ-KBPBESRZSA-N 418.452 1.641 30 10 HDEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)no1 1764615222 HPYMMHQKSWFLDJ-LJQANCHMSA-N 400.487 1.734 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(C)(C)C(=O)NC 1764909268 HWZJYDKGVGGPEH-UHFFFAOYSA-N 413.501 1.950 30 10 HDEE CO[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1768008170 PFUAASZMLWJCHL-YPMHNXCESA-N 409.288 1.810 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1769565082 VWHFDTQBWATFBO-MAUKXSAKSA-N 406.512 1.150 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1769588188 VOWKWDXDKVYPIC-BTYIYWSLSA-N 410.478 1.480 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1769982946 CAYOJWGSEIULBT-LIRRHRJNSA-N 419.507 1.099 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CC1 1770743698 AEFSRAZQVZXBKQ-ZDUSSCGKSA-N 400.405 1.591 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)C1 1771347424 GDFXMMYEJWQUEM-INIZCTEOSA-N 401.492 1.355 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C=NN=C2[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789815 XZCITLTXUSQWNL-BXUZGUMPSA-N 412.402 1.664 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@@H]1CCOC1 1772792383 AKEJAFFVOPWYJE-DOMZBBRYSA-N 404.419 1.918 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)ON3C(=O)c4ccccc4C3=O)cc12 1772792712 MKQITPCXKHAXRA-JTQLQIEISA-N 412.427 1.816 30 10 HDEE COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCN(CCC#N)CC3)n2)cc1 1850381611 ZLSAHKAAKBLKHI-UHFFFAOYSA-N 409.490 1.757 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3ccc(C#N)nc3Br)CC2=O)CC1 1852169180 XYIQIAUXZPEUMU-NSHDSACASA-N 406.284 1.597 30 10 HDEE CN1C(=O)N(C)[C@]2(CCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)C2)C1=O 1852550095 JKCIWSVSTBLFIV-AOMKIAJQSA-N 403.442 1.846 30 10 HDEE CN1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2ccc(Cl)cn2)CC1 1853320158 NIRPGXPSNGBNKC-UHFFFAOYSA-N 401.858 1.285 30 10 HDEE C=CCN(Cc1cnnn1C)C(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1CC 1853439421 UGTBBNMHDUXCFH-UHFFFAOYSA-N 409.450 1.558 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccn3)C(=O)C2)cc1 1854037398 JUXAAQYUPMYXEU-IAGOWNOFSA-N 410.455 1.116 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C)n(CC)n2)C1=O 1854249040 PJHHAGUKXTWDPU-QZTJIDSGSA-N 401.511 1.451 30 10 HDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854487317 IDAOUAHCFGGMQO-MRXNPFEDSA-N 419.503 1.599 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccnc4nccnc34)C(=O)C2)C1 1855045207 CLQJFTXMXLAXAI-HOTGVXAUSA-N 407.478 1.076 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCSc4ncccc43)C2=O)CC1=O 1855349081 GCKZJABRJHPSGO-DOTOQJQBSA-N 414.531 1.936 30 10 HDEE COCCOc1cncc(C(=O)N2CCN(Cc3ccc(C#N)cc3)[C@H](C)C2=O)c1 1855638620 CNORXBKQHBDHJD-MRXNPFEDSA-N 408.458 1.852 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(Cc4ccccn4)CC3)C2=O)cc1C#N 1855657494 IOLFGSAOUIWYQA-NRFANRHFSA-N 403.486 1.821 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@@H](N2CCN(c3ccc(OCC)nn3)CC2)C1=O 1855752731 FKRIQFPANJAASU-IAGOWNOFSA-N 401.511 1.727 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nnc([C@H]2CCOC2)o1 1855825224 GWFRYDHJNIMMON-INIZCTEOSA-N 409.446 1.708 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1855893174 ZJXOKPLMRPYKAJ-SFHVURJKSA-N 403.504 1.997 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)C(=O)C1 1856063812 LWNUCEIRMNXLSC-UHFFFAOYSA-N 418.519 1.449 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@H](COc4ccncc4)C3)C2=O)ccn1 1857133089 BZDGQXZTBDVLOR-JXFKEZNVSA-N 405.458 1.880 30 10 HDEE CC(C)c1oncc1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857149756 MGLVBRCJDYLJGK-INIZCTEOSA-N 409.450 1.021 30 10 HDEE Cn1cccc(C(=O)N2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)c1=O 1857300385 NGKVICMJKZFZHJ-LJQANCHMSA-N 404.470 1.684 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3ccc(F)cc3)CC2)cc1=O 1870563651 KGDWOOKCEDOKLD-UHFFFAOYSA-N 412.509 1.883 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN2CCOCC2)[nH]c(=Nc2ccccc2)[nH]1 1871599230 DNZUWYGFOAZTIH-UHFFFAOYSA-N 409.538 1.772 30 10 HDEE COC(=O)c1sc(C2=C(N)N(CCOc3ccc(OC)cc3)CC2=O)nc1C 1873527808 RTVFLUQTHIPUEY-UHFFFAOYSA-N 403.460 1.838 30 10 HDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873594918 HOTGXTINXDKTOF-IYBDPMFKSA-N 401.511 1.838 30 10 HDEE Cc1cc(N2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)nc(N2CCOCC2)n1 1889404623 HWXCAAFOCTYQDT-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1902514572 XBLHYKQBWREMPM-CHWSQXEVSA-N 411.308 1.450 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)NCCOCc3ccccc3)s[nH]2)OC1(C)C 1961811895 UTLLQHPNQUQCRJ-UHFFFAOYSA-N 404.301 1.598 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025896565 ZEVMPOCTLPHXOI-IUODEOHRSA-N 421.303 1.593 30 10 HDEE C[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2046026323 QESVSCCIMVZHBG-KZULUSFZSA-N 411.455 1.513 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCN 2066550977 SQUQIXDFMLMYEL-CYBMUJFWSA-N 417.512 1.335 30 10 HDEE C=C(Cl)COC(=O)c1cc(I)cc(S(N)(=O)=O)c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c4ccccc4C3=O)C[C@H]1CCO2 2229474643 NYVDAZOISHAZLI-QRWLVFNGSA-N 417.487 1.397 30 10 HDEE Cc1sc(CNC(=O)[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2237716141 IXMHHVDXFAONQL-LBPRGKRZSA-N 401.359 1.713 30 10 HDEE C[C@@H](CCO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353150 JPMVEMOIDRODET-JTQLQIEISA-N 409.766 1.998 30 10 HDEE CC1(C)OB(c2cscc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2281794899 AULWMFGRUSTLIU-UHFFFAOYSA-N 409.285 1.805 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCCS(N)(=O)=O)sc2Cl)OC1(C)C 2281977666 SLIIHLJBPDVGOT-UHFFFAOYSA-N 422.765 1.499 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(C)(C)S(C)(=O)=O 2281979405 DEDSJBZQOSYPNV-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CSCC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282347537 ZFZUKYZILBCDTE-UHFFFAOYSA-N 401.363 1.093 30 10 HDEE CCCC(=O)NCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282350362 LURKIZVZTUQWGC-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CN)c(Cl)c2)OC1(C)C 2282495621 OTGBAYXEGSPTCV-ZDUSSCGKSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@](C)(CN)C2CC2)OC1(C)C 2282506960 ZUNPYOLLNJWTRQ-KRWDZBQOSA-N 400.375 1.594 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H](N)C1 2282826592 SHRBABCKKRSZPK-YPMHNXCESA-N 400.375 1.714 30 10 HDEE C[C@@H]1C[C@H](O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876585 GAOPJDWKWZDVOH-OCCSQVGLSA-N 401.359 1.580 30 10 HDEE CC(C)(NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405427 KNSWLTAZTDLCIT-UHFFFAOYSA-N 403.693 1.781 30 10 HDEE CC(C)(F)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406981 FXPNXBXCUFCOKZ-SNVBAGLBSA-N 407.294 1.527 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2C[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284411358 JGEVSFZSKJCPSK-GHMZBOCLSA-N 401.315 1.355 30 10 HDEE O=C(O)[C@@H](CS)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116757 IRDKSMUBYUCLHB-CQSZACIVSA-N 414.505 1.145 30 10 HDEE C[C@H](C#CC(=O)N(C)Cc1nn(C)nc1Br)NC(=O)OC(C)(C)C 2302422457 CEUNILYJGIDYRQ-SNVBAGLBSA-N 400.277 1.453 30 10 HDEE CCOc1cc(C=NNC(=S)NCCN2CCOCC2)cc([N+](=O)[O-])c1OC 2323044395 DTCOPLFANIRUGV-UHFFFAOYSA-N 411.484 1.132 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2362563714 GOBVRGVORAMARE-MNOVXSKESA-N 402.347 1.336 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173349 RBEZCHXTUFXIFM-IQUTYRLHSA-N 401.525 1.779 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(OC)CN(C(=O)OC(C)(C)C)C1 2365206687 IEWLCVOYDWBYEG-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE C[C@@H]1C[C@@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367796548 QKCQGCKJMRHXOX-CXAGYDPISA-N 401.481 1.436 30 10 HDEE COCC[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367797719 NZESLJGTUJGUCL-DNVCBOLYSA-N 401.525 1.734 30 10 HDEE COC[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCCCN1C(=O)OC(C)(C)C 2367802101 YCZZUVMSQGECKM-BEFAXECRSA-N 401.525 1.734 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H](C)NC(=O)OC(C)(C)C 2367811833 MKVBTPLIUHBPCZ-OAGGEKHMSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367815637 FOACNFXAOLWPGI-JJXSEGSLSA-N 400.541 1.339 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819812 YYTBMUABDJROTJ-FNHZYXHNSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1([C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2379659588 SUXYSLYYRLZGPL-CUYVQJCZSA-N 400.541 1.291 30 10 HDEE Cc1ccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444406 GQNICAINSPNZDF-CVEARBPZSA-N 421.457 1.645 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3cccnc3)N2)C1 72445717 JGBUEIHLQAROJJ-KFWWJZLASA-N 422.445 1.248 30 10 HDEE CC(C)C[C@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@@H](O)C(=O)NO 95570449 FWFGIHPGRQZWIW-OKZBNKHCSA-N 406.479 1.858 30 10 HDEE in-vitro C/C=C(/C=C(C)/C=C/C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@@](O)(CCO)NC2=O)C(=O)OC 229765528 OHWILISHWFHITP-UCVWTCRPSA-N 417.458 1.018 30 10 HDEE COC(=O)/C=C1\SC(C(=NNc2ccccc2OC)C(=O)N2CCCC2)=NC1=O 254631561 UYCMWWMBGLSELB-ODBWFVDQSA-N 416.459 1.814 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)cc2)c1N 428005435 KTOFSFMIEMFRHB-MUFMMBNRSA-N 401.470 1.565 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccc3c(ccn3CCN3CCOCC3)c2)CC1 430350370 DKOSNIZNQYXBRH-UHFFFAOYSA-N 409.490 1.722 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 460380216 MEPIPZMTNYUXKS-UHFFFAOYSA-N 414.558 1.790 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cccnc1 461301407 PCRVKNUFKMBTDU-APWZRJJASA-N 401.430 2.001 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 465416274 KAFTXJZEIXBVIK-OAHLLOKOSA-N 420.477 1.019 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CCC(=O)N(C)C)CC1 473050915 WMUIDZPMDFUVRQ-GOSISDBHSA-N 415.538 1.426 30 10 HDEE C=C(C)COCCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 474797326 YZAGMCIXCOIXOC-UHFFFAOYSA-N 403.526 1.161 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)cc1 478309367 MIUVIXUXKXRPJF-HZPDHXFCSA-N 410.492 1.334 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(C(=O)N3CCOCC3)c2)c(F)c1 480726403 AAWPRECQUUCRLQ-UHFFFAOYSA-N 417.462 1.789 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@]3(CCOC3)C2)c(C#N)cn1CCOC 481371739 OZCMROYSEKQZCF-LJQANCHMSA-N 406.439 1.206 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 481448961 NZIRKBYFWQTBLE-RHSMWYFYSA-N 415.519 1.676 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 482155647 VUFQYOIMMWUZRW-NVXWUHKLSA-N 418.519 1.086 30 10 HDEE CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 482497853 GMCPZBPAHCSEGU-NXHRZFHOSA-N 404.536 1.699 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@]2(CCOC2)O1 483173611 CHHCWYOCPQZDSM-LAUBAEHRSA-N 418.563 1.727 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCNC(=O)c3ccccc3)C2=O)cc1 487484761 MOEBUUWMXUQXKS-FQEVSTJZSA-N 419.485 1.778 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)cc1C#N 489117055 ORWBLUVLFKSEIA-UHFFFAOYSA-N 406.430 1.537 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)s1 489509968 BZHNGPCKAGALJM-UHFFFAOYSA-N 421.504 1.406 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)C1CN(C(=O)c2ccccc2)C1 501857014 KTSSXPYDQYUFJN-UHFFFAOYSA-N 413.499 1.861 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2C)c1=O 502011471 AZKBGOPNUXLRGQ-UHFFFAOYSA-N 406.467 1.224 30 10 HDEE CC(C)CN(C(=O)Cn1cc(C#N)c(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 502586991 IOSGFTGOASKZIX-INIZCTEOSA-N 401.488 1.545 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)CC1 509589223 YZNPMFAGIDQKDR-KRWDZBQOSA-N 404.511 1.784 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@](C)(CO)c1ccc(Br)cc1 511253427 SLOKSJFEMJVXAC-WFASDCNBSA-N 404.330 1.973 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 511474762 JJTWSBDOHIQZTG-SFHVURJKSA-N 408.458 1.916 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC(c3ncc[nH]3)CC2)n1 513254473 LWGJOUGIWDFOON-UHFFFAOYSA-N 407.409 1.951 30 10 HDEE C[C@@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 520384094 RRJDLLFKPBVYJM-NRFANRHFSA-N 424.482 1.683 30 10 HDEE CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)O1 526975596 XVQGLJLQLLSNSL-RTBURBONSA-N 400.479 1.747 30 10 HDEE CC(C)OCCCNC(=O)C1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 533146947 GGFFWIWFSPXOTI-UHFFFAOYSA-N 421.563 1.975 30 10 HDEE Cc1ccsc1[C@H](CO)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 537792739 RKZAQCVTTAHWLD-CVEARBPZSA-N 412.471 1.983 30 10 HDEE COc1ccc(CN(C)C(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 544881220 AKJYDJZPTJPSIA-UHFFFAOYSA-N 409.490 1.751 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC)CC1 549359242 VQSSYFRHCBLKEL-UHFFFAOYSA-N 412.538 1.516 30 10 HDEE N#Cc1ncn(CC(=O)N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)n1 553607030 OKCLMUIWONPEES-LPHOPBHVSA-N 407.405 1.856 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2cccs2)cc1 558162844 FSAMPIUMDPTNBO-CQSZACIVSA-N 400.485 1.890 30 10 HDEE Cc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)on1 565604978 DAQAOSPKJSCLEF-UHFFFAOYSA-N 403.464 1.113 30 10 HDEE CCC[C@@]1(c2ccccc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 584431948 IKIJZZTYQUIGSQ-FQEVSTJZSA-N 412.471 1.974 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@@H]1CCCO1 590914047 PVOMFBZSVNAMEY-HNNXBMFYSA-N 401.488 1.020 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 609507775 SRHDFGZBCKSNEG-HKUYNNGSSA-N 423.535 1.566 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 669817762 CRRRRNGOWWUKGS-JKSUJKDBSA-N 407.544 1.729 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2cccc(Br)c2)C1=O 726042457 CGHNFDDBIYNKIU-UHFFFAOYSA-N 409.192 1.152 30 10 HDEE N#CCN1CCC(NC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 730503500 HKIKPHKYDXXFCF-UHFFFAOYSA-N 405.462 1.558 30 10 HDEE Cc1c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnn1-c1cccc2c1CCN(C)C2 732648709 TXVRYSUAVXQSMD-SFHVURJKSA-N 405.506 1.376 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N2C)cc1 734919631 MNDBDCCEFKQDIQ-OZOXKJRCSA-N 401.463 1.812 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 743185164 PSJYMWJHQRSODC-UHFFFAOYSA-N 402.886 1.977 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)CCN(C)C)cc2)cc1C#N 747495016 HFIBBXMQJWMIKV-UHFFFAOYSA-N 423.473 1.712 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)c1 747642038 HXECXZBURFCXLK-UHFFFAOYSA-N 411.361 1.725 30 10 HDEE CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 752199775 KALXCQDBPCGCBQ-UKRRQHHQSA-N 400.478 1.001 30 10 HDEE COC(=O)c1ccncc1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 771371884 SVUWFEVVMAVZDM-UHFFFAOYSA-N 405.370 1.721 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774147767 FVTVBZYCFWJLKN-ICSRJNTNSA-N 419.547 1.664 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 778270995 CZCOMQDGWWRMNS-GWQNQTGSSA-N 423.517 1.099 30 10 HDEE Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780207881 YKTNZGGOVSCANK-OAQYLSRUSA-N 404.426 1.749 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 789965807 DOLJGZBPJYCIKC-ZDUSSCGKSA-N 423.470 1.209 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 794580195 VTSBEVASIHPMLH-JKSUJKDBSA-N 414.483 1.181 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 800439827 MOOTUJRMDCHOJQ-MRXNPFEDSA-N 403.483 1.687 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 800779235 UEUCWKSTPYVLLT-KRWDZBQOSA-N 410.478 1.702 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](c2cnn(C)c2)C1 849492269 QMSCWLRSRMPIPU-NHCUHLMSSA-N 421.549 1.849 30 10 HDEE COc1ccccc1NC(=O)CN1C(=O)C(=NNC(N)=S)c2cc(Cl)ccc21 1080436484 AJWNQOSSKAXTAG-UHFFFAOYSA-N 417.878 1.871 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)OCc3ccccc3)n[nH]2)cn1 1084394269 RXIWCYDXMHPKNF-UHFFFAOYSA-N 415.479 1.929 30 10 HDEE CC(C)C[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1130148746 KIBZYWVDECCFFK-CQSZACIVSA-N 423.535 1.845 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1131608145 VNGPQTFWKFKILP-UHFFFAOYSA-N 414.911 1.473 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3-c3ccco3)CC2)cc1 1136149253 CTQULXITVOTNGL-UHFFFAOYSA-N 411.443 1.688 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](CCCC)NC(N)=O)n1 1136554289 YSSMGBNZFCGRCD-LLVKDONJSA-N 409.541 1.966 30 10 HDEE C#CCOc1cccc(NC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)c1 1136768889 SEJKWUMLTVURJE-UHFFFAOYSA-N 407.430 1.372 30 10 HDEE CCS(=O)(=O)C1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1140713487 CLPYTXLFRBXZHW-UHFFFAOYSA-N 418.475 1.668 30 10 HDEE CSc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141412045 WTQMCTQGEDREAA-UHFFFAOYSA-N 402.501 1.822 30 10 HDEE C=CCn1c(SCC(=O)Nn2c(O)nnc2O)nnc1-c1ccc(Cl)cc1 1141574042 ZXJLDHIUJYCXDB-UHFFFAOYSA-N 407.843 1.650 30 10 HDEE CN(C)C(=O)Cn1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1143721296 SNGQLELMEDMFQV-UHFFFAOYSA-N 403.483 1.560 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1144923722 UVBUKKTYGXSWKL-PBHICJAKSA-N 409.464 1.029 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC2CCOCC2)C(=O)OC)cc1 1153509268 GMRMHNUGRJSWMS-QGZVFWFLSA-N 410.492 1.239 30 10 HDEE COc1cc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)ccc1C#N 1162634504 NLUVZLFTNFWENF-UHFFFAOYSA-N 413.499 1.727 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1165497224 CAOUTSXCBHFYKN-HNNXBMFYSA-N 407.517 1.602 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1171843279 GFLTXYNFQFYYHA-IBGZPJMESA-N 422.526 1.940 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CNS(C)(=O)=O)C1 1197572723 FWURFYYVRDTLHQ-GJZGRUSLSA-N 410.565 1.890 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2coc(CN(C)C)n2)cc1 1198252561 XQTGDCNNOOLBIT-UHFFFAOYSA-N 407.496 1.864 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1224160954 WYOJFIFOXAQRLD-SFHVURJKSA-N 419.478 1.488 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C)c(OCC(=O)OC)c(C)c2)n1 1271204787 ULXGOSODZLOJGB-UHFFFAOYSA-N 413.474 1.974 30 10 HDEE C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1277455589 HWLWTKQTEBTKRN-XJKSGUPXSA-N 414.462 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1286290020 NCMSXFUXZRDZHI-LSDHHAIUSA-N 416.503 1.957 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1286325370 XLVMPMVRBYHGFD-HZPDHXFCSA-N 408.528 1.153 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1286349340 IAFASWOBDPWXNT-IAGOWNOFSA-N 416.551 1.711 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCOCCN(C)C 1286379824 CWNZWHURGYPQEE-KRWDZBQOSA-N 420.558 1.998 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1286413548 KZRLNNHUDMBGRA-FGZHOGPDSA-N 419.529 1.928 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCc2ccn(C)n2)CC1 1286476405 WSFGBIJSQCNNNC-UHFFFAOYSA-N 405.506 1.685 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1286749687 XQMQNMRDOJWULS-KXBFYZLASA-N 403.508 1.635 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286758483 OOAMVTAVPOOUDR-FUHIMQAGSA-N 422.551 1.697 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)N(C)C)C1 1286803156 DFMWFQKKNIZNBH-MRXNPFEDSA-N 413.478 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccccc2C1 1286819880 YOCLQVBCIXMTOI-QGZVFWFLSA-N 415.519 1.393 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1287098444 ISUXYBNQGYYEGM-QGZVFWFLSA-N 411.510 1.884 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C1CCN(C)CC1 1289195373 JYMKYSLFCFEVAZ-UHFFFAOYSA-N 401.488 1.163 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)n1 1290632175 COWBGQOEMHZAKX-LEWJYISDSA-N 410.526 1.748 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1297891855 CWASBTFHQQGEAL-USXIJHARSA-N 414.462 1.008 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCC2=NNC(=O)C2)C1 1298791881 CTUQMTWZKBNWOI-UHFFFAOYSA-N 404.268 1.529 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300381500 FTHGYGORTOMYQN-GNBUJSLZSA-N 415.538 1.863 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN2CCCO)CC1 1300696009 QZYYGMQVGATLCZ-FQEVSTJZSA-N 423.565 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301566728 PWOBJWHWBZDVER-PXNSSMCTSA-N 424.567 1.342 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](COCC)C1 1301596035 FXUVIIXVUQBATG-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1302392996 FIPSDBKAFOEARN-SFHVURJKSA-N 408.466 1.216 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1302458481 HTYJDMKEHQDJLE-UHFFFAOYSA-N 407.478 1.985 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)C1CCN(C(=O)OC(C)(C)C)CC1 1303656574 ZJNNPLNYHCBKCW-DBHNTLKXSA-N 418.490 1.568 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C[C@H]1CCCO1 1303690047 KDPDEWVPRMMYJM-JKSUJKDBSA-N 423.535 1.332 30 10 HDEE C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1303730825 DTXFUSOUSASYIE-MSOLQXFVSA-N 422.537 1.976 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccc(C#N)o2)o1 1304315861 FZVLQALQURAYRY-UHFFFAOYSA-N 410.434 1.830 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1310709819 RZRKIOQYBVCTOD-CRAIPNDOSA-N 419.478 1.803 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)C1CCOCC1 1313042942 LFCRMUTXILESLT-HXUWFJFHSA-N 401.507 1.959 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CCN1CCOCC1(C)C 1316100994 FIKPLGNRYLADRU-KRWDZBQOSA-N 406.531 1.259 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1OC 1316330777 JEDFXPMDIAQYNG-FGTMMUONSA-N 424.505 1.581 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1325228748 QWKDTTLUIVXYGL-HNNXBMFYSA-N 418.537 1.813 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1337721440 OAZHVQMSDWVSDG-MRXNPFEDSA-N 423.535 1.191 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1352239139 TTWXOLJNKPOEJY-UHFFFAOYSA-N 418.469 1.442 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C/c2cc(C(=O)OC)co2)c1 1356458578 YARGSDWYXUQMSM-BQYQJAHWSA-N 422.437 1.953 30 10 HDEE Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1357282089 BNEOQISQWCJQKA-QGZVFWFLSA-N 408.462 1.556 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1358870120 GFZZMYCNANJWOF-JLTOFOAXSA-N 417.897 1.471 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1 1359024511 OQHFAWBYEWIOBT-SFHVURJKSA-N 419.526 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(C)(C)O)CC1 1359044497 HNCQDKHJHMGKKN-QGZVFWFLSA-N 403.527 1.299 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359223432 KVXARYVCAKKUJB-MRXNPFEDSA-N 400.483 1.995 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359229035 WFZTWBICPCTTTP-MSOLQXFVSA-N 403.527 1.999 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1359277487 NMKIMPKGROLQAE-OXQOHEQNSA-N 401.467 1.209 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)CC1 1359400971 DLURUDPOWJFPPQ-UHFFFAOYSA-N 410.526 1.188 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1361016143 WQYZIQRLRGHGSC-QKKBWIMNSA-N 421.461 1.637 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1438145351 APAUBRXJSCQEOS-ICSRJNTNSA-N 420.531 1.977 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 1455514575 RXZLIOMBGGIRSK-NRXGSXMXSA-N 405.476 1.169 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457197225 FCLKCCOXFDFMIE-UHFFFAOYSA-N 414.219 1.081 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cccc(CC#N)c2)C1 1460140844 BFLZMEPHAOIZSW-FOIQADDNSA-N 419.503 1.973 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1462718409 CYFAPZOHNKFGGO-KXBFYZLASA-N 418.556 1.756 30 10 HDEE Cn1cc([C@@]2(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCCO2)cn1 1463253153 PMGDAAMYXZDDOW-IBGZPJMESA-N 417.491 1.048 30 10 HDEE CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1464700641 RNKKXYLUNCWYGR-AWEZNQCLSA-N 409.483 1.891 30 10 HDEE C#CCCN1CCC(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1465396772 PWPCVJUVLJYLPF-IBGZPJMESA-N 422.570 1.646 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cccc(Br)c3N)CC2)c1C#N 1466921165 FXASIAWIQKHXIJ-UHFFFAOYSA-N 403.284 1.907 30 10 HDEE C#CC[C@H](NC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1)C(=O)OC 1468876093 VFJCAJOVXDQJDJ-HNNXBMFYSA-N 408.495 1.600 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CSc2ccccc2O1 1469425012 ZFTKBXJLSXBCSE-DZGCQCFKSA-N 417.512 1.895 30 10 HDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1470133516 YGQCVUZKLWDFQU-KRWDZBQOSA-N 417.443 1.007 30 10 HDEE CCC(O)(CC)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1497440568 LUINGMTXECGIFN-ZDUSSCGKSA-N 402.455 1.286 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCC(O)CC1 1507611279 OHKOGRXBSGYCAE-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[S@](=O)CC 1507646805 YOCXULCKAMJIEN-MUUNZHRXSA-N 400.504 1.804 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)[C@H](CC)C1 1507833461 USEAHOAIXXMIPQ-GOSISDBHSA-N 404.559 1.914 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1508039700 PJUOOFBFJWBNGC-MRXNPFEDSA-N 421.523 1.271 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1508061524 YKUIYAAQNAEYBH-UHFFFAOYSA-N 403.490 1.875 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@@H](CC)C1 1508140619 JCXYPHNGAPUKTL-KBPBESRZSA-N 413.569 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@](C)(OC)CC1 1508148134 GJFKDTLTADABRO-SFHVURJKSA-N 400.545 1.811 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C[C@@H]3CCC4(CCOCC4)CO3)CC2)c1C#N 1516423449 HAOGOWOISJOTDR-KRWDZBQOSA-N 401.511 1.615 30 10 HDEE C#CCN(C(=O)CC1(COC)CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536632391 HACCPWAXBMQDJP-IYWGDAJJSA-N 400.519 1.679 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cn1 1537381599 YMMHEEVFDUBWBB-UHFFFAOYSA-N 403.486 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1538982272 CPJWAJXYNRJDBZ-AWEZNQCLSA-N 413.507 1.466 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539220026 GVKFFFVHMOTWIB-XAUMDUMWSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(N2CCOCC2)CC1 1539251654 LXKSBTNIYDMGPP-UHFFFAOYSA-N 400.486 1.754 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCn2cc(C)cn2)CC1 1539476077 RUMQVMZWYPISDP-UHFFFAOYSA-N 406.494 1.444 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1539534800 ZVBXBFQPEPONMW-VGOFRKELSA-N 423.521 1.638 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1540862954 MIKBDBKNOCBNPE-UHFFFAOYSA-N 414.485 1.692 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCOC(C)(C)C1 1540867248 PPDLNWQJKVRSGH-UHFFFAOYSA-N 413.478 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540868002 ORFNOEFLTXTGEM-HXUWFJFHSA-N 400.458 1.349 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2C[C@H](F)C2)C1 1540883762 DWXBSCFDVZTYRE-VGWMRTNUSA-N 415.535 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1540883900 GQVXLVFQSWDJEZ-KZNAEPCWSA-N 409.556 1.572 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1541472280 DIAGYUVUBPDJGV-SFHVURJKSA-N 422.599 1.868 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1542027291 OTRJIQFBKXZUNO-FQEVSTJZSA-N 424.440 1.899 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)c1 1542096339 JEVLEPASOPQGEA-QSGOBLRKSA-N 422.551 1.673 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 1545036074 VBXINLMYJUBNNO-CWRNSKLLSA-N 403.483 1.337 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1552728411 MANPEQAQKQXGMQ-QGZVFWFLSA-N 405.466 1.338 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1555940316 FCYKKGCSILQSQM-DWCFEENVSA-N 422.489 1.679 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)C2)C1 1556503548 XZTJHNSJELMLQY-JPRIXKOTSA-N 418.538 1.441 30 10 HDEE C[C@@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1558642690 ANKZPKBPZLIKMO-CWRNSKLLSA-N 402.394 1.310 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(CNC(=O)OC(C)(C)C)c2)CC1 1560982685 FBPBWFYJTVFMOF-UHFFFAOYSA-N 422.551 1.297 30 10 HDEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1565013825 LRJCCIVGHSARJJ-QKLQHJQFSA-N 413.503 1.284 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1 1568994789 DTPMYNRHKJXWAK-MRXNPFEDSA-N 400.414 1.210 30 10 HDEE C#CC[C@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1570221218 IKKUXTJBHDLQDJ-AWEZNQCLSA-N 421.247 1.506 30 10 HDEE C=C(C)C(C)(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1583658234 XDMSNRNPBOTVNK-UHFFFAOYSA-N 418.537 1.510 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(O)(C1CC1)C1CC1 1584563500 SUCWAEPDMLENTE-UHFFFAOYSA-N 419.547 1.953 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587856403 KTSAINKPCVWUQX-HZPDHXFCSA-N 400.483 1.058 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1587981185 LTMBHDJTTIJSGQ-ZBFHGGJFSA-N 405.426 1.335 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H]1C(C)C 1589150802 LKAYYVSLEWZIBI-TVKQPGBESA-N 423.583 1.942 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1594807449 OYHLALKZRZKOCO-SJORKVTESA-N 404.515 1.127 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1594866340 CGCOUEMNIYHHLL-OAQYLSRUSA-N 407.559 1.788 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1595204697 JCXQRFWRGJJXCO-UHFFFAOYSA-N 421.505 1.849 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnnn1C 1595283856 YMYPKNOFQXLSIR-UHFFFAOYSA-N 411.466 1.532 30 10 HDEE C=CCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1595393111 IGGQAADPEKFAIC-QLFBSQMISA-N 423.539 1.468 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1595506792 MVBUZJHXFAIPHK-GFCCVEGCSA-N 418.885 1.221 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCC(C)C)C1 1595785289 VNYMOJNKTZMKOK-KRWDZBQOSA-N 422.555 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)CC1 1595788952 LRDVQLPAZDGFEZ-UHFFFAOYSA-N 419.555 1.114 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](n3cncn3)C2)nnc1C(C)(C)C 1595831815 WUIKDUMNPJFVJD-HNNXBMFYSA-N 407.544 1.609 30 10 HDEE CNC(=O)[C@@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596012159 DADDAQDNAUFTLC-INIZCTEOSA-N 405.296 1.884 30 10 HDEE CC(C)(C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(C#N)cc1 1596437160 LKTGAJUWDNYICC-UHFFFAOYSA-N 404.470 1.724 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)CCCOc2ccc(C#N)cc2OC)CC12COC2 1597129093 QWNCJNNDAKXZPQ-INIZCTEOSA-N 402.447 1.764 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(C)C 1611026861 XBKSQIFCMUSWTL-KRWDZBQOSA-N 419.547 1.940 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCCO2)cc1 1611547352 LTQJGKDRRGRTQV-IAGOWNOFSA-N 407.492 1.289 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1619766193 DJXFNGFHZZORDL-WOJBJXKFSA-N 404.515 1.432 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1619969304 OMIGCWAYDAYSNX-MAUKXSAKSA-N 412.494 1.789 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1619989168 CVWHLRLSXRMAGW-JLTOFOAXSA-N 416.457 1.591 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C)N1CCCCC1 1620026415 YWZJEOZZOCWGCQ-GUDVDZBRSA-N 420.558 1.995 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1620071599 UCMNJJYZRDNIGT-SFHVURJKSA-N 412.494 1.572 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc4cccnc34)n2CCOCCCO)CCO1 1620355797 YYRBPFJRFUHJRS-QGZVFWFLSA-N 408.462 1.621 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1620435330 UZXPMNGQBULXLH-JLTOFOAXSA-N 420.897 1.488 30 10 HDEE CCOc1ccc([C@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1620610878 GAVJNMYXHHEASD-DSKINZAPSA-N 417.531 1.619 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1 1622551287 JEGFGBIIGQJWDN-ZDUSSCGKSA-N 412.313 1.176 30 10 HDEE CCN(CCCNC(=O)c1cccc(CNc2ncccc2C#N)c1)S(C)(=O)=O 1626323227 OZYSRMLDZULOMX-UHFFFAOYSA-N 415.519 1.967 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)OC1(C)C 1633535204 XLECVBXYBWIJNJ-UHFFFAOYSA-N 409.317 1.445 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1633900097 UUJXQFAGXUBXHP-OAHLLOKOSA-N 401.467 1.301 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304045 GCMIKZBPPAYQQW-UHFFFAOYSA-N 401.204 1.801 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C#N)c1cccc(Br)c1 1636400972 BHDYOLLNRIAPBV-AWEZNQCLSA-N 409.265 1.795 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1638074842 KTGCBRCTZASXPC-IBGZPJMESA-N 403.548 1.610 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 1639527892 MFKULNIPUAWHGB-SGTLLEGYSA-N 414.443 1.089 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)C1 1639646186 LVDPMPUPNUBHBV-UHFFFAOYSA-N 417.487 1.370 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1639974484 FEBCXHIUJWJDOZ-LFDOHDQPSA-N 403.504 1.045 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1F 1639993628 YIPPYRCIBIRKGB-UHFFFAOYSA-N 408.480 1.790 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1640219572 VQYOJGHLFUHJGW-LJQANCHMSA-N 412.515 1.746 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4ncncc4C#N)C3)[C@@H]2C1 1640315863 OLRQAQPEDPNIRP-KFWWJZLASA-N 400.439 1.367 30 10 HDEE Cc1cnc(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 1640371829 AAWFKXSVYFWPCF-OAHLLOKOSA-N 400.504 1.874 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N=c2cc[nH]cc2)cc1)c1cc[nH]n1 1640638716 IIDXPMZCIZNJRX-UHFFFAOYSA-N 408.418 1.893 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(F)(F)F)C1 1642024235 VKGRLXZKVRVCPJ-WCQYABFASA-N 405.398 1.405 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(CCC#N)CC2)cc1 1643821769 BYOSMMJKPATKFB-UHFFFAOYSA-N 406.552 1.710 30 10 HDEE COc1ncc(NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cc1C#N 1644426321 AESMYJJMXRRQAP-PCDDKUFXSA-N 422.363 1.886 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1 1652979407 WVJOBXPJMSJWJT-SFHVURJKSA-N 406.446 1.854 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOc2ccc(Cl)cc2)c1=O 1652998429 PFWCYKPGUKNQQS-UHFFFAOYSA-N 405.838 1.956 30 10 HDEE CN(CCc1cccc(C#N)c1)CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 1654568294 OWDXYAFKFGZARH-UHFFFAOYSA-N 400.504 1.922 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)C[C@H](O)c1cccc(C#N)c1 1654984086 FKCBYGPSLSUJDD-UGSOOPFHSA-N 402.476 1.198 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cnn4c3OCCC4)CC2)c(F)c1 1669090033 HCAYAJGRTOHZGV-UHFFFAOYSA-N 406.439 1.908 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1670845718 SPAOQSIMWHUYAO-VXGBXAGGSA-N 405.270 1.293 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OCC 1671198930 IWPMKIDCESCEFJ-WBVHZDCISA-N 411.476 1.729 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)nn1 1673802595 CZDJKHZMKBOZFU-ZDUSSCGKSA-N 402.421 1.797 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)n1 1673918902 KKMAHWQRJMKKER-UHFFFAOYSA-N 419.507 1.495 30 10 HDEE C#CC1(O)CN(C(=O)Nc2ccc(OCCOCCOC)c(Br)c2)C1 1674838502 IZJGWTKKVZOMCE-UHFFFAOYSA-N 413.268 1.703 30 10 HDEE C#CCN(C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCN(C)CC1 1678723021 XLGJTZYJKRSPQM-UHFFFAOYSA-N 410.462 1.039 30 10 HDEE C[C@@H](C#N)CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1680000589 RQXRNXVBAHJBSN-JTQLQIEISA-N 400.224 1.072 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)n1 1683152894 MHEKPBZJGXHEDZ-DOTOQJQBSA-N 400.414 1.751 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccccc3CC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1684358468 VGHYLHFASUCHOM-GOEBONIOSA-N 401.410 1.871 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)CC2)CC1 1685427588 CSGMBVQUULTJJD-WOJBJXKFSA-N 418.563 1.898 30 10 HDEE COc1ccc(OC)c(CCCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1686003164 HRCFIHSPJXWGAT-HNAYVOBHSA-N 407.492 1.216 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(CCCOC)c1 1686098280 PBJVFNZWGQJUJH-GFEQUFNTSA-N 402.495 1.372 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 1687259229 LLEGLNXYVIAZGV-HUUCEWRRSA-N 413.902 1.890 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1689930104 KQGVUXKPPXORBH-DFQSSKMNSA-N 414.554 1.184 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1689965809 DJAYHYMYRKYNJM-CYBMUJFWSA-N 411.434 1.294 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1690066669 LNQQRDYYXJKZCI-UHFFFAOYSA-N 411.915 1.514 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CCC)CC2)CC1 1690112259 SUMCAKXBOBTXTJ-INIZCTEOSA-N 408.572 1.224 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)NC(C)C)CC1 1690130299 DMEDMUKSGALGRF-UHFFFAOYSA-N 408.550 1.733 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1690244326 WGBONSGDMUFPBN-DOTOQJQBSA-N 420.539 1.336 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690249568 ZGVQNUUYBFESEC-LNLFQRSKSA-N 423.583 1.826 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690629476 ZACFSNOIYLTIJO-CQSZACIVSA-N 410.544 1.056 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1690672005 FSRWRINQCKVZBH-UHFFFAOYSA-N 414.514 1.048 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2COCCO2)C1 1690687807 JMHIUBUNGVJFIT-FUHIMQAGSA-N 408.499 1.127 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCCS(C)(=O)=O 1693520677 SPQOXMULLBAXQM-MSOLQXFVSA-N 403.508 1.391 30 10 HDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1696248320 HZSCQKFASJUUQI-UHFFFAOYSA-N 407.482 1.767 30 10 HDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1696523349 DPLKDSIYPNABRZ-POEINMCQSA-N 417.535 1.704 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC 1705485302 HOSKAUYLXDWGHF-CQSZACIVSA-N 406.508 1.855 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705520026 GBQUTMWNHSUURE-QFIPXVFZSA-N 414.554 1.505 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705530287 WDLLBOCMTYLAKS-IBGZPJMESA-N 407.522 1.496 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC(C)CC1 1705549577 AJQPQXUOGUMZRX-UHFFFAOYSA-N 419.533 1.993 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1705609790 QQPFAXLUUYRFFG-UHFFFAOYSA-N 423.477 1.633 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnnn1C 1705612842 QCHCNOFHOCTWOW-UHFFFAOYSA-N 406.498 1.088 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](F)COC)CC1 1705643184 VKUNBHWLGGIRMS-SFHVURJKSA-N 401.486 1.905 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCC)CC1 1705700803 YRWVNZRRQCWHQT-ICSRJNTNSA-N 416.570 1.785 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705800482 YLQZZKIICVWTBN-QGZVFWFLSA-N 401.515 1.875 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1705830467 QGSMZELERYOIOD-KRWDZBQOSA-N 410.540 1.556 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705894893 NPWXUMQBJBYLCN-IAGOWNOFSA-N 418.542 1.647 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1722302181 QAKGOQGZTXRHGM-INIZCTEOSA-N 407.478 1.569 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722307477 WWJQUAIUHWKTIV-MRXNPFEDSA-N 409.556 1.577 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1nccs1 1722346471 RBCPLKNDHUFUOO-UHFFFAOYSA-N 416.532 1.770 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCN(C)S(=O)(=O)CC 1722377681 GXJAWCINUQNELB-UHFFFAOYSA-N 402.524 1.028 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(N)=O)cc1 1722387398 KZCOTWXSDSMCOF-HKUYNNGSSA-N 422.489 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@H]1C(C)C 1722419100 NNDOROUOAZBMMX-ROUUACIJSA-N 403.527 1.661 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCC2CC2)CC1 1722441033 NJNBNLQUILWHCN-UHFFFAOYSA-N 406.534 1.345 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722463087 UGYRPGMTTVFNOF-INIZCTEOSA-N 416.595 1.386 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722525126 ODPFKLBHXRFDAG-HNNXBMFYSA-N 414.514 1.551 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1722618851 VYTLECOYQHQAAA-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C=CCCOCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1722626852 ITTIWCBODQTPNX-NRFANRHFSA-N 421.542 1.582 30 10 HDEE C=CCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1722690256 CQPGWZBGDKURBG-IBGZPJMESA-N 403.462 1.372 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC=C(C(C)(C)C)CC1 1722702855 SJBBYIPHDKRQKJ-UHFFFAOYSA-N 400.527 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](c2ccco2)C1 1722726924 GZOXOHLAUBWKMO-HNNXBMFYSA-N 414.491 1.923 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1722732547 MGQVMAGLDXWGSG-UHFFFAOYSA-N 406.537 1.413 30 10 HDEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729151172 QQTMGUTXISLJAO-MRXNPFEDSA-N 410.482 1.138 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1730874223 HZYQNSJGQFUWAU-KZNAEPCWSA-N 406.531 1.463 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740631371 QXDCIRCMURNYLR-SPOLIRPYSA-N 405.502 1.672 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740753251 HDGJGTKQTBTTRG-XHSDSOJGSA-N 400.487 1.100 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740892187 SBYCJYVSJUBCCP-LPHOPBHVSA-N 412.556 1.766 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1740923679 RQOJCISDXBSFGK-HNNXBMFYSA-N 402.524 1.962 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1740932213 JGSLTMBPJAYZKD-ZWKOTPCHSA-N 423.583 1.327 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC(C)(C)N1CCOCC1 1740940807 TVLSRMDJOJFKNS-UHFFFAOYSA-N 401.515 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2c(ccnc2N(C)C)C1 1740957202 FRFURVQHGAKYKI-UHFFFAOYSA-N 418.505 1.666 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)n1 1742319161 ANGOQKNAQNNIDT-UHFFFAOYSA-N 403.512 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1748641059 ZBNHXOOTTHKJQI-ZIAGYGMSSA-N 406.512 1.188 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OCC)CCCC1 1748825735 DKQBZHHGRZQBRU-MRXNPFEDSA-N 407.540 1.310 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cnccn2)CC1 1749032388 FVJLHUASUZQHKU-UHFFFAOYSA-N 407.507 1.218 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1749064788 KDJLLFFLWSEQJB-LJQANCHMSA-N 420.420 1.379 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NC)c1)C1CC1 1749524694 ASSFPQLQLQXMHM-UHFFFAOYSA-N 408.506 1.963 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1749559870 AJEJQRYGOYRZKV-LJQANCHMSA-N 400.508 1.972 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1749587009 FBDXBJHAYQONOL-NRFANRHFSA-N 411.510 1.573 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749658712 VQAXBLZMLCJUDB-HNNXBMFYSA-N 423.926 1.524 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1749672663 ZWLYTYDSLOWDNM-CALCHBBNSA-N 421.448 1.299 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749760210 FSQFOCMRLCTEMW-KRWDZBQOSA-N 415.567 1.496 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)CCOC1 1751025668 GHMSPISTZNPXLD-YLJYHZDGSA-N 403.483 1.394 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760186547 OPSPOBUITNOHHP-SFHVURJKSA-N 416.547 1.575 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1760194810 QXEPHBXIOVUYBL-KRWDZBQOSA-N 417.510 1.553 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1760234539 PYCAMWWKMIAMQS-KRWDZBQOSA-N 404.478 1.626 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(C)(OC)C1 1760281217 ZUPYTJZTPCOXPZ-UHFFFAOYSA-N 424.530 1.784 30 10 HDEE C#CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1760286707 SDZOPHUOPKSMGM-FQEVSTJZSA-N 419.551 1.108 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O 1760319673 PAQFVVXCOHOXOT-MSOLQXFVSA-N 419.551 1.912 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2CCOC2)CC1 1760525897 VTUIETOAZCHUJI-IBGZPJMESA-N 410.522 1.819 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1760530992 ZDTHVEWANCHPOI-LJQANCHMSA-N 422.489 1.856 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCSC2)CCOC1 1761290509 ARJGSAQTDDVGLK-JTDSTZFVSA-N 407.540 1.801 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1761728606 ATTKSJVKIWAOJR-VGSWGCGISA-N 424.505 1.681 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCOC2)cs1 1762285253 IFPFOZUMEKXQEK-MOPGFXCFSA-N 402.524 1.915 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1764094181 MCAAVBUEOXYFGA-CYBMUJFWSA-N 413.482 1.376 30 10 HDEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1764727166 IBNBXFPQCIGALM-UHFFFAOYSA-N 419.507 1.125 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767158237 DEXGQTRBOSAROG-OALUTQOASA-N 417.558 1.276 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCN(C(C)=O)CC1 1770171762 GMLHBROMMDVKDR-SNRMKQJTSA-N 418.542 1.999 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)CCO1 1770747162 GIVVQAALYOQFFK-NSHDSACASA-N 410.381 1.364 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771164563 IJDAKIDTQYPYCX-KGLIPLIRSA-N 423.495 1.138 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)C1 1771530266 GGKCDKLIENBXRE-HXUWFJFHSA-N 420.489 1.428 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(CC#N)CC3)n(Cc3ccccc3)c2n(C)c1=O 1848926542 PLQDZUDDSKRSOU-UHFFFAOYSA-N 419.485 1.853 30 10 HDEE CN1CCN(c2nc(NC(=O)Cn3ccc4cccnc43)c(C#N)cc2C#N)CC1 1852099203 WQVXEPZDMPMGMH-UHFFFAOYSA-N 400.446 1.565 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OCCN3CCOCC3=O)cc2)c1C(F)(F)F 1852604228 VCXAGSILIHVWTG-UHFFFAOYSA-N 408.336 1.778 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1=O 1853829774 ZGIMSHCJDYINCT-IRXDYDNUSA-N 413.474 1.194 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)C1=O 1854196269 MLNXIWKRMGDEJP-ZDUSSCGKSA-N 409.368 1.180 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1=O 1854319035 MZQDYFBGPTYPFM-LJQANCHMSA-N 404.474 1.229 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854401774 SJOIMIFNZNIXIX-HNNXBMFYSA-N 405.476 1.291 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2cc(-c3ccc4c(c3)OCO4)nn2C)C1 1855749107 OXYAVFPTJQRCTD-AWEZNQCLSA-N 409.446 1.650 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)OC1=O 1856099618 ZIAKCZIMWUZAES-OAHLLOKOSA-N 413.402 1.627 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)Cc3ccccc3)C2=O)CC1 1856127876 HHOLHJHZMARVQI-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)C3CC3)C(=O)O2)CC1 1856349923 GOMIKEMXLGPRPG-INIZCTEOSA-N 403.460 1.716 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccncc4)nn3C)C(=O)C2)C1 1856843524 GOSXYMRDHDHCGL-GOSISDBHSA-N 408.506 1.417 30 10 HDEE Cc1ccc(OCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857065996 DKMDUZIZFMKAOG-KRWDZBQOSA-N 419.503 1.314 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)ccn1 1857247634 XSIQPABYWFKXBV-IBGZPJMESA-N 409.490 1.071 30 10 HDEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN(C)CCO)cc1=O 1870411048 QUBDPQMLGFDHRZ-UHFFFAOYSA-N 409.571 1.954 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600094 AUGQTBGYGAHCPY-UHFFFAOYSA-N 407.474 1.187 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@@H]2CCC(=O)N2c2ccccn2)CC1 1891242815 HDWWGKIVHGEADW-KRWDZBQOSA-N 406.446 1.556 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2118167201 AMCAPXSKFNQCIW-UOXLDJKESA-N 406.530 1.041 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2168103441 RPUCICPEEZLGOP-CHWSQXEVSA-N 415.899 1.860 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180138857 BMVNINHMAGUXPH-QWHCGFSZSA-N 408.467 1.574 30 10 HDEE C[C@@](O)(C(=O)C1=CCS(=O)(=O)CC1)c1ccc(I)cc1 2232557820 XXHMBGXPBKSDIC-AWEZNQCLSA-N 406.241 1.813 30 10 HDEE C#CC(CO)(CO)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2242275395 ULRYGXPFVZIIEQ-HNNXBMFYSA-N 408.454 1.386 30 10 HDEE CN(CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2243389808 XTMPZPVEJFOYOX-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826490 VBZMOMOEJAIOPK-MAUKXSAKSA-N 410.327 1.959 30 10 HDEE C#C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258157632 DMTDOQITRRMJQU-DJIMGWMZSA-N 408.476 1.176 30 10 HDEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)F 2258186149 ZDSATQUWPQRNSI-DYVFJYSZSA-N 420.434 1.885 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C#N 2258193212 DSFDAXMUFANYHB-GFCCVEGCSA-N 411.430 1.872 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267370443 MBPFQTNQOURHPX-CCGUKBGLSA-N 408.376 1.181 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267376127 RAMZOAWVHPHJJY-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(F)CCOC1 2282316638 GBRYRXGPTOQUFZ-INIZCTEOSA-N 405.322 1.763 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282322771 QLCSTNNAPMFOTK-BETUJISGSA-N 401.359 1.938 30 10 HDEE C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338529 OCHBADDKUFUGDW-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC[C@@](C)(CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415017 AMBFABLEZGVLSN-INIZCTEOSA-N 404.363 1.413 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)c2)OC1(C)C 2282425843 UXCLVOMVZDXBAA-SNVBAGLBSA-N 415.264 1.639 30 10 HDEE CC1(C)CN[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282825502 KGEMZBSMSPDZSG-LLVKDONJSA-N 420.793 1.977 30 10 HDEE C[C@H]1COCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282839273 BDRLFERJAKFRRI-CYBMUJFWSA-N 401.359 1.845 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCCNC3=O)cc2Cl)OC1(C)C 2282844515 FCZKHSGSIMGUBS-JTQLQIEISA-N 420.749 1.258 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@](C)(=O)[C@H]2CCNC2)OC1(C)C 2282879273 RDDSZHKOYPDMCK-FTJNGKRUSA-N 420.387 1.196 30 10 HDEE CC#CC(=O)N1CCO[C@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 2296569363 FANIMESNTGBMDJ-NRFANRHFSA-N 406.486 1.546 30 10 HDEE Cc1csc(C#C[C@@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n1 2363678196 TWDZDDAJXAOSFD-ZIAGYGMSSA-N 414.549 1.977 30 10 HDEE CSCC1(NC(=O)OC(C)(C)C)CC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365201584 ALILRPUPIWGBAV-NLNFPOJYSA-N 420.597 1.292 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)CC1 2365248976 SZPUSXZYXZCLOH-ZDUSSCGKSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(O)C#CC1(S(C)(=O)=O)CCC1 2367790186 VFLXHYLHFVCBRP-YJBOKZPZSA-N 401.525 1.734 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 2367830026 FRBNBHBGVGGQGE-QMTMVMCOSA-N 400.541 1.211 30 10 HDEE O=C1C(Nc2nc(O)cc(O)n2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 6496346 CBZBNGIZAWWEKQ-UHFFFAOYSA-N 400.354 1.992 30 10 HDEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 33538980 JRCQAYVJSIKBBR-HCZHMGAMSA-N 409.442 1.985 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(N2CCNC2=O)CC1 52216623 FWIRQVMKDKGWIP-UHFFFAOYSA-N 416.526 1.441 30 10 HDEE CSc1c(C#N)c(N)nc2c(N=Nc3ccc(S(N)(=O)=O)cc3)c(N)nn12 252635974 XDMJZQIATFAOII-UHFFFAOYSA-N 403.453 1.550 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C2CCC2)c1=O 430981984 YWBOLIUSJXEMGE-UHFFFAOYSA-N 424.482 1.633 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)CC1(C#N)CCCC1 431622053 OEIGIRRDPLXSTO-UHFFFAOYSA-N 401.510 1.058 30 10 HDEE Cc1nsc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 439299908 XOVNHHKVCCBDOZ-UHFFFAOYSA-N 420.516 1.915 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 460545144 MYTWISDHDQBUCX-KRWDZBQOSA-N 424.571 1.953 30 10 HDEE CCOC(=O)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCC1 466299384 PMZXBHXQAAQHAA-KRWDZBQOSA-N 412.446 1.707 30 10 HDEE N#CC1(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CCN(Cc2ccccc2)CC1 474203315 ZNCMEOUFWOJVQI-UHFFFAOYSA-N 421.457 1.999 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 478414100 FIRCODIMQGOELE-LIRRHRJNSA-N 407.492 1.022 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 505227452 UFCUDTYWGUSWBC-UHFFFAOYSA-N 418.519 1.952 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 505620644 GWODHDPFDHVXKS-MRXNPFEDSA-N 411.462 1.986 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(Oc2ccc(C#N)cc2)CC1 507807407 OMSNFGBYRHLSBP-GOSISDBHSA-N 420.517 1.929 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)C1 507836299 ZXXDNEVXICZKCB-JOCHJYFZSA-N 414.550 1.874 30 10 HDEE C=CCOc1ccc(CNS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)cc1 509607213 WBXRGKRGKSOWBY-UHFFFAOYSA-N 402.538 1.342 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 515377894 PFKNGLBQYQVESJ-UHFFFAOYSA-N 414.491 1.558 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 537758416 DYSQWUIGDFJRFG-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1Cl 539385486 RXIZEXFHYWTMJN-SWLSCSKDSA-N 404.897 1.226 30 10 HDEE CCn1c(O)nc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2c1=O 545463194 SBGYGJYKQSAMNM-UHFFFAOYSA-N 404.430 1.351 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 548718465 RNTYLPUSBCMKEX-HNNXBMFYSA-N 401.492 1.543 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCc3ccc4ccccc4n3)CC2)n1 550450895 GHPZAKIQWSIUDD-UHFFFAOYSA-N 400.442 1.466 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[C@H]3NS(C)(=O)=O)cc2C1=O 557591329 AKUCCJQWPPHXCN-WMLDXEAASA-N 419.503 1.306 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cnc3cc(Br)ccc3c2=O)nc1 566762300 KVHWVUAUOPTPNT-UHFFFAOYSA-N 419.260 1.900 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 577445050 PGNKHEISEGYMFF-UHFFFAOYSA-N 420.495 1.900 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 583276377 XLWAQTZAYZNLTG-HSALFYBXSA-N 418.586 1.937 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC[C@](O)(C(N)=O)C2)c1 586810688 UHPZFNSWRDYEEI-OAQYLSRUSA-N 424.482 1.351 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCN(c2ccc(F)cc2)CC1 609491309 FAYGWAGXMHYRBY-SFHVURJKSA-N 422.508 1.952 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 612193599 VPPVGLHPTRIMQV-GOSISDBHSA-N 417.490 1.870 30 10 HDEE CCOC(=O)c1sc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)nc1C 612840879 IYCLIVFZZNABFQ-UHFFFAOYSA-N 414.491 1.927 30 10 HDEE Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1C#CCN 703978470 AWDXKORQQKMNIE-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732156172 KTQVCMRPTIMFIZ-ZPHPHTNESA-N 414.462 1.968 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 732201585 HANWMGSLJOQXHR-PKOBYXMFSA-N 422.533 1.614 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732464863 BRFHCQCYOTYWEY-DXNFXHBHSA-N 405.499 1.239 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n(C)c2)C1 732650036 YAAWBNLNICZAMW-RDJZCZTQSA-N 419.551 1.258 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 745058908 YFTPXMXZHPQBFH-UHFFFAOYSA-N 402.432 1.607 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN(c2ccccc2C#N)CC1 747337092 NFYHPUYPXWIWJR-UHFFFAOYSA-N 414.487 1.613 30 10 HDEE COC(=O)[C@H](OC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 750958170 QJGUNGBWXQKHPY-QGZVFWFLSA-N 404.419 1.951 30 10 HDEE COC[C@@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 758226042 KJLQDQCQZOFRGR-TVJQZGFISA-N 412.512 1.408 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](C(C)(C)C)[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 758503036 JTQPLGUVQVIAQD-VNQPRFMTSA-N 407.536 1.759 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)c1 763224629 RMTBFOYRMCKWHW-UHFFFAOYSA-N 410.455 1.949 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cnc21 764752858 YGNCLENYQDOWIH-UHFFFAOYSA-N 422.232 1.844 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1COc2ccccc2O1 765659574 UQJTUGYQNWEWME-CYBMUJFWSA-N 401.444 1.071 30 10 HDEE COC(=O)c1nccc2c(S(=O)(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cccc12 766808798 XOMLXYWCXYXEGI-AWEZNQCLSA-N 400.460 1.382 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 766985705 DXTBQQCYOWVHPI-GJZGRUSLSA-N 414.439 1.947 30 10 HDEE Cn1cnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 768420525 GVJSXIWCOLMPFC-CQSZACIVSA-N 402.455 1.755 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC23OCCO3)cc1 773826806 UTHZQZWCTFYJDV-ZKCWRFQVSA-N 407.492 1.981 30 10 HDEE CCc1c(C(=O)Nc2ccccc2O[C@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 780157784 IUEHJYZJZYBGOZ-GFCCVEGCSA-N 407.430 1.738 30 10 HDEE Cc1cc(C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nn1-c1cccc(C#N)c1 780195022 OQBNVUUJMCFNMO-CQSZACIVSA-N 409.446 1.335 30 10 HDEE COCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCOC1 787842325 CWAOBZXORADBBZ-MRXNPFEDSA-N 423.535 1.549 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2nc(-c3ccccc3)ccc2=O)n1 788814405 OGINTKQTCQVUSU-UHFFFAOYSA-N 405.458 1.415 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(CC(F)(F)F)CC2)n1 789219749 NHULBBGRLUYPTC-UHFFFAOYSA-N 415.460 1.949 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N\CCc1ccccn1 794442046 RLCHFNXGGKWCDG-LSYAFNFSSA-N 405.568 1.791 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 802568870 PMZVTSHHZQLKJF-QRQLOZEOSA-N 402.543 1.347 30 10 HDEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)COC(=O)c1cc(C#N)ccn1 803849437 GSKWOMZLUIVEGZ-UHFFFAOYSA-N 410.430 1.996 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 805783281 VTRFDLZRHWBKQB-IAGOWNOFSA-N 406.529 1.817 30 10 HDEE C#CCC(CC#C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 806883703 ZZNXUZHCZQPFTB-UHFFFAOYSA-N 418.515 1.636 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 807924001 XAXJXSWBVTZVEZ-ROUUACIJSA-N 421.457 1.163 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(OC)c(OC)c3)n2C)n1 809867691 QQAPQJUGDHVJSK-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 811525659 WKUPLDXGFZRLPL-LJQANCHMSA-N 413.499 1.674 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 918176418 SKBXYCFOLQLXMP-UHFFFAOYSA-N 421.503 1.638 30 10 HDEE CCNC(=O)CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084092833 SERJECPICJNTSG-UHFFFAOYSA-N 408.400 1.685 30 10 HDEE C[C@@H](Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)C(=O)N(C)C 1084562008 XQODVECSMNQEMM-MRVPVSSYSA-N 408.400 1.636 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1125120151 USHDLVRKBCBCAD-RTAFMGCNSA-N 406.508 1.909 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)s1 1136652854 FNAIWZPTCOHPGT-UONOGXRCSA-N 413.565 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)N(C)CC)C(C)C)s1 1141199778 KEPCJOQNJUOEQB-INIZCTEOSA-N 401.554 1.374 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)CC2=O)cn1 1150665090 HJZJSRXWXDNOKQ-OAHLLOKOSA-N 408.462 1.244 30 10 HDEE COc1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1C#N 1152347699 FSCMLFSULKPOCV-OAHLLOKOSA-N 400.822 1.833 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 1154959148 PEVRSISLUDNXRB-AWEZNQCLSA-N 413.590 1.313 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1157893990 XGOMJZYVZGUKBU-XTDOFWJNSA-N 411.524 1.467 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1159761201 BSNYWENNEVMXQP-WDEREUQCSA-N 421.338 1.022 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cn(CCO)nc1C1CCOCC1 1160339779 LBTCWFITUVNXMS-UHFFFAOYSA-N 412.490 1.930 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CC[C@@H]3OC)nnc12 1161907202 AQBXIPFMNGJWRD-CVEARBPZSA-N 413.503 1.958 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CC[C@@H]3OC)nnc12 1161907203 AQBXIPFMNGJWRD-HOTGVXAUSA-N 413.503 1.958 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 1162059264 FNCWNVOEGMUXDC-KGLIPLIRSA-N 403.907 1.586 30 10 HDEE Cn1cc(C[C@@H](CO)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1162342197 FWYZEGOIRCJTIL-GJZGRUSLSA-N 401.854 1.018 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 1166311393 AHUWCVLFGCFGRE-ZIAGYGMSSA-N 412.471 1.594 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](CO)(C(F)(F)F)C2)s1 1177399595 YWWNBRFPEXCADP-CQSZACIVSA-N 412.455 1.528 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)COCC(=O)NCc3cccnc3)C2)nc1 1178460958 VRARMEHKPRHUFZ-GOSISDBHSA-N 408.462 1.084 30 10 HDEE C[C@@]1(C#N)CCCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1188522350 GPAXRUMKOYLGMG-ICSRJNTNSA-N 421.519 1.979 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1194790478 VARVCDPXSYSFGL-CQSZACIVSA-N 400.522 1.881 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1214056956 PRMBAMVCZYODSY-ZFWWWQNUSA-N 407.435 1.798 30 10 HDEE C#C[C@H](NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)[C@H]1CCCO1 1226734755 MYYNDLWCPDKOFA-UONOGXRCSA-N 405.455 1.187 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1252072882 YORBRNCWXPBSCM-HOTGVXAUSA-N 413.565 1.972 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1264769524 SLDLLWNTZIXLIV-GFCCVEGCSA-N 416.532 1.267 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1286275924 VHSBXFVDDKSOLL-LBPRGKRZSA-N 418.303 1.581 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1286297786 DJVJFEQXYQWLKY-HIFRSBDPSA-N 406.483 1.834 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)NC)c1 1286309279 PZTMJEDHXWWHFD-UHFFFAOYSA-N 418.523 1.007 30 10 HDEE C#CCCCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1286357606 LPTWDEJMPMHBLD-GJYPPUQNSA-N 412.556 1.601 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCN(C(C)=O)CC1 1286378895 ZUKZLWVZYNJBLN-UHFFFAOYSA-N 414.535 1.598 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1286395539 RSSVBAQULIFQOS-QGZVFWFLSA-N 402.524 1.377 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1286444026 QBLXALRJSWPWHA-LJQANCHMSA-N 410.522 1.677 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1286456262 PGOOIMIUZSZVCH-QGZVFWFLSA-N 412.469 1.486 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286595636 HRURVPDQKZQFNE-UHFFFAOYSA-N 424.571 1.227 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1286788133 QNYZWOFVFRQTIC-KZNAEPCWSA-N 403.527 1.727 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286788316 UPSSOXMCTAAHTK-LSDHHAIUSA-N 420.514 1.188 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286818477 XFWFHGPHMJQTIN-RDJZCZTQSA-N 411.572 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CNC(C)=O)CC1 1286822885 OPNVLLQSVHSIAE-UHFFFAOYSA-N 409.556 1.184 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)CC1 1288177678 QIJKTKMOQCUODK-HNNXBMFYSA-N 400.508 1.624 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1c1cccc(Cl)c1 1289206773 QHRKRLWQRJNIRL-CJCBUOBESA-N 421.906 1.256 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291004186 CFUXLQIUUNDGHF-UGKMNXKKSA-N 424.509 1.687 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc(OC)c1OC 1292362764 QNNCENPAHYFXOK-BLVKFPJESA-N 404.423 1.162 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)cc1 1296162568 VRQXIGPJLDPLLQ-MJGOQNOKSA-N 406.360 1.959 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1297053467 CDZHZIBWBYBHSO-UHFFFAOYSA-N 403.508 1.900 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(N3CCN(C)CC3)C2)nnc1-c1ccco1 1297229218 QXHRIMHXBMHSKG-UHFFFAOYSA-N 416.551 1.665 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1298926912 FYDQNHDSHFLCNH-SFHVURJKSA-N 423.521 1.694 30 10 HDEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CC1 1299690699 HJYNZHLSKHNICM-DLBZAZTESA-N 407.540 1.735 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(CO)c1 1300544644 AKVNVXPFMAKPBD-UHFFFAOYSA-N 419.510 1.883 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1300578187 IVTGQDLNVDVKAW-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@@H]2CO)CC1 1300692621 KAEDWKLCZKLVEN-HXUWFJFHSA-N 423.565 1.332 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NCCC)CC1 1300706442 MJHDWRTYJRFQEG-UHFFFAOYSA-N 410.522 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1300718340 KOPWTYGHNJLCMH-LJQANCHMSA-N 424.480 1.767 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1301216642 OHXKCNYIJCEHHY-OAHLLOKOSA-N 403.531 1.826 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCOC2)C1 1301566973 REVTUCKPMJQWKJ-DENIHFKCSA-N 414.506 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1301586170 QORJQICZLDZSFG-HZPDHXFCSA-N 421.567 1.847 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4nc(C)cc(O)n4)C3)n[nH]2)c1C 1303600890 TWHKAJMPXMSTFR-HNNXBMFYSA-N 422.493 1.889 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CN=[S@@](C)(=O)N(C)C)CC2)c1 1308147376 DJAYYCUQWNKKFY-GDLZYMKVSA-N 419.551 1.602 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1316347485 GBQMWJAIKCLFFE-ZWKOTPCHSA-N 415.519 1.867 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC1 1316536094 LJNFZYQXEPRHFP-IAGOWNOFSA-N 407.540 1.737 30 10 HDEE N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1321606716 PFIGOMUXWGXTMN-NXHRZFHOSA-N 419.503 1.637 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1351512143 SIYZYCAYSRFEAH-HXUWFJFHSA-N 400.523 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1358871253 BVQJCIJLPLGJEH-ZNMIVQPWSA-N 423.514 1.953 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358931607 HJLJIANHZPANAA-UHFFFAOYSA-N 402.524 1.195 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1358938687 HVPJXDJEDJFBGC-HNAYVOBHSA-N 405.524 1.256 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nccs1 1359023442 KTTHOPTXRRANGI-UHFFFAOYSA-N 400.464 1.597 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359048436 QTKRTDNIZXMGEB-CVEARBPZSA-N 416.551 1.128 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359060144 LYOABCRRQMPDDI-UZLBHIALSA-N 419.551 1.151 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cncn2)nc1 1359106427 DBGBBVSRUSFBGT-UHFFFAOYSA-N 409.498 1.843 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1359163160 SUUQAUJKBBCVPU-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359216339 UTPRFIWATUIDPK-OWCLPIDISA-N 407.540 1.394 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359222078 XKQUHHSFEOUCDG-ZWKOTPCHSA-N 402.543 1.839 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1359282241 VKIBKTDWFIGHAN-SJORKVTESA-N 424.567 1.636 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1359292973 CFVIBTSCFSQUEW-AWEZNQCLSA-N 416.457 1.138 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](COC)C1 1359330611 XKDKHZIJQFCMJQ-INIZCTEOSA-N 407.540 1.747 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1359337647 XLNPSFNKJAMUIB-WFASDCNBSA-N 402.521 1.249 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)s1 1442545031 LCEMARBYWPRMSB-LLVKDONJSA-N 411.471 1.508 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 1443534765 HHBVEACZHHJQMA-ZZEZOPTASA-N 408.414 1.628 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCOCC3)C2)cc1 1449807049 WSSQBLATBJAGCN-SFHVURJKSA-N 405.520 1.701 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(CO)ccn1 1451920986 FLDPFOAPDFKUHA-HNNXBMFYSA-N 402.476 1.810 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCC[C@](C#N)(c2ccccn2)C1 1460607351 QVJHCTGDHHGRDV-HXUWFJFHSA-N 401.536 1.997 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCCNc2ccc(C#N)cn2)C1=O 1464042123 KFAQMFFQMCOSGZ-HNNXBMFYSA-N 401.467 1.062 30 10 HDEE NC(=O)C1CCN(c2ccccc2NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1464740734 RMKRYITYCFOFQW-XUTLUUPISA-N 411.462 1.243 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)s1 1464877095 ABYSHZUJIKAEJI-UHFFFAOYSA-N 418.504 1.251 30 10 HDEE N#Cc1cn(CCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c(=O)nc1O 1466311951 ARQQAGAPYMBCFD-UHFFFAOYSA-N 421.379 1.578 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1467992253 QUAOAPKUQAJNSS-ZHALLVOQSA-N 410.536 1.377 30 10 HDEE COc1ccc(N(C)CCN(C)CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cc1 1473611092 YJFBEOKDPYAGDW-NRFANRHFSA-N 401.555 1.756 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCN(CC(=O)NCCOC)CC3)cc2n1 1477121485 QPEPLXUPZIWEHI-UHFFFAOYSA-N 400.483 1.134 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1478521231 ULJKSSHFOUNMAY-UONOGXRCSA-N 422.448 1.153 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2nncn2C)CC1)c1ccc(Br)cc1 1478895589 DGHUOLXAMYEULR-HNNXBMFYSA-N 403.284 1.784 30 10 HDEE CCN(CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)C(C)C 1502203988 CUYCWQJOMGRKIZ-GOSISDBHSA-N 400.531 1.599 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1503056425 BGFJHDPCYFICLX-LJQANCHMSA-N 421.498 1.872 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1504035190 LDESUWMUCYMGPP-UHFFFAOYSA-N 419.507 1.103 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1507520767 QUXUOCKPLUZKQS-SJCJKPOMSA-N 408.300 1.655 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(C)n2)CC1 1507716246 PBGGHEZCLJHWBG-UHFFFAOYSA-N 401.540 1.179 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1507724893 LOQBZNHPOGWPLJ-UHFFFAOYSA-N 424.553 1.082 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)OCC)CC1 1507734072 QMQDFMUVJATIAL-UHFFFAOYSA-N 418.542 1.197 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[S@](=O)CC)CC1 1507739844 VJMDCNRIRILHJO-SFNQZPIRSA-N 421.567 1.254 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1507829042 ONOPIGXQUUYCGS-UHFFFAOYSA-N 420.477 1.853 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2)CC1 1507878630 CCMRHZUTUGIFNK-QGZVFWFLSA-N 410.588 1.921 30 10 HDEE Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511869027 JQUWNTMSEDDRFN-ZDBRSUKYSA-N 402.499 1.897 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1OCC[C@H]1C 1516586279 PQTVPTWEFWSETR-SJLPKXTDSA-N 411.510 1.833 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3ccc(Br)cc3=O)C2)nc1 1527081505 BURPYIIKOKTQIZ-CQSZACIVSA-N 403.236 1.557 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@]2(C[C@H](C)CC(C)(C)C2)C1=O 1531581766 WQFBMXQFWMTGPW-QRQCRPRQSA-N 419.522 1.927 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cs1)C(N)=O 1531724536 HESAQLOSNFCXIK-CYBMUJFWSA-N 415.544 1.872 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1531946173 XMCWVOMMBDROIX-INIZCTEOSA-N 410.492 1.254 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1532372761 QXQUVNVIZGMEQO-HUUCEWRRSA-N 400.504 1.834 30 10 HDEE Cc1nn(C2CCOCC2)c(C)c1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1533850130 ZNLRKRXPUCMUCO-CQSZACIVSA-N 409.494 1.864 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1539044731 HITQIGNOIUJRDW-UHFFFAOYSA-N 400.527 1.715 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1539744699 TZFYIOUXYGFVIK-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539855325 SSJIWXJPSKVECP-GOSISDBHSA-N 410.522 1.915 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540034196 YGTHTOJQSWOEIT-IAGOWNOFSA-N 418.542 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CC=CCC1 1540897559 MJYWSTSUHVJUKA-QGZVFWFLSA-N 421.567 1.907 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1541115856 GDVVLQIZFSINKM-FPDPHYFHSA-N 412.494 1.453 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541803808 MVOFEJDCNDROOQ-PMPSAXMXSA-N 410.544 1.192 30 10 HDEE CN1CCC(N2CC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1543235067 RCDRNLRMWOUXAX-AEFFLSMTSA-N 407.559 1.858 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)CC2)nc1 1543555210 RHFKIQQEAACNTE-QHCPKHFHSA-N 405.502 1.629 30 10 HDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1coc(C#N)c1 1546017763 BZSHPLLIDXLIDY-UHFFFAOYSA-N 404.448 1.856 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)[C@H](C#N)C1 1556131974 AYVLICAFOQCZHJ-TZMCWYRMSA-N 413.482 1.911 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 1560982698 FNYNKGWDMCDYGS-UHFFFAOYSA-N 415.515 1.556 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3ccccc3cc2C(=O)OC)CC1 1561505255 CNOKABOHBPRFRJ-UHFFFAOYSA-N 414.483 1.777 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1561799326 SHVFRKGWTLXZGR-MRXNPFEDSA-N 414.549 1.486 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1565220234 XVJBKMVWUIPRQV-UHFFFAOYSA-N 414.487 1.482 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N(CC#N)c3ccccn3)cc2[N+](=O)[O-])CC1 1585099994 SMWVSLQWOJJANM-UHFFFAOYSA-N 408.418 1.829 30 10 HDEE Cn1cnn(CCC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1585625288 MBWMZYJITIVROI-HTQZYQBOSA-N 422.276 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1587599907 SPMCFCIPMJFRTC-VFCRVFHLSA-N 400.479 1.960 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1587830954 DXRGUYCUEWIRDZ-INIZCTEOSA-N 405.466 1.036 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588065029 RRBISMBUGLBSRH-WRWLIDTKSA-N 406.552 1.408 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1589483562 OYFKGOARKUZXNR-QEEYODRMSA-N 404.515 1.099 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1589494893 OQQSFNKMHAWATF-OAGGEKHMSA-N 413.544 1.096 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1589569355 OTUMBRYOVGBYLU-BXWFABGCSA-N 416.526 1.049 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1594168448 NNDRMLHPAYGMCW-GOSISDBHSA-N 417.602 1.845 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1594812855 LRTURICDWMZLKU-KBAYOESNSA-N 424.567 1.777 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595570186 ZQELUJDLGLNUQG-QHCPKHFHSA-N 424.549 1.718 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1595602287 IWJPHTPGZKYHPL-UZLBHIALSA-N 407.515 1.095 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1595837701 BPESCCONEXHQSW-KXBFYZLASA-N 409.556 1.720 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1615755246 YREXTGYQKHSOTE-VXAPJYQHSA-N 415.542 1.847 30 10 HDEE CC(C)(C)OC(=O)NC1(CO)CCN(CC(=O)NCc2cccc(C#N)c2)CC1 1617674206 FMXNQOZVXAKNQS-UHFFFAOYSA-N 402.495 1.526 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1619912448 DDHQCUWTGGELFK-FJIDUMEYSA-N 421.567 1.983 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@H](C)OC[C@@H]2C)cc1 1622886510 IULYJLAGRNODRM-HOTGVXAUSA-N 410.540 1.724 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C(=O)N2CCCC2)ccc1F 1624004381 KJKYRLXWOQEYFG-UHFFFAOYSA-N 411.499 1.668 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc1 1625239512 BTLONJSKRMIKDD-UHFFFAOYSA-N 402.472 1.550 30 10 HDEE C#CCN(C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@@H]1CCS(=O)(=O)C1 1625363763 RIUVNSZJZWCBGP-JHJVBQTASA-N 406.451 1.041 30 10 HDEE C[C@H](CN1CCOCC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1630027356 UNDFLVBUYDYDIE-HRXNXTQESA-N 406.527 1.610 30 10 HDEE N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)s1 1630283907 LIOJVCXGZXVANS-UHFFFAOYSA-N 407.473 1.376 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)OC)CCCC2)s1 1630870235 YPPCNWLMUVWQFO-UHFFFAOYSA-N 400.522 1.605 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1632880764 ZDLUSBJLWIAWRS-MZQJAKNZSA-N 422.482 1.091 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@](O)(c1ccccc1Cl)C(F)(F)F 1633523083 YCUIOXXBIVWGCR-AWEZNQCLSA-N 414.833 1.990 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)C2)C1 1633585793 VSJKPWDNRJLUAP-OVCBBOEUSA-N 415.498 1.693 30 10 HDEE COc1cc2c(cc1OC)[C@@H](C1CC1)N(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1634594779 DHUHURSAGJKQQH-HXUWFJFHSA-N 424.457 1.764 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1635415962 WHRGBZKIBGXUMS-ZDPZECHZSA-N 424.505 1.857 30 10 HDEE Cn1ncc(CCCNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1635512772 MIEYXFQHYZDRGW-UHFFFAOYSA-N 404.478 1.699 30 10 HDEE CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1636295450 LASWQENQHRHMIQ-ZDUSSCGKSA-N 407.414 1.884 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1637390522 VWTRZYKWWNYFDD-SJORKVTESA-N 424.542 1.620 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cc(F)ccc3Br)C2)c(=O)nc1O 1637512932 KIYIOOHDQVJXGP-UHFFFAOYSA-N 407.199 1.348 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)n1 1639012755 STCMGQYMWAWUGW-QAQDUYKDSA-N 405.499 1.730 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1N1CCCC1 1640264959 FSXFZRNTZQEAMJ-OAHLLOKOSA-N 413.503 1.537 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](COC)c2cccc(OC)c2)c1 1640969898 KFRZEAJMSAQGQF-IBGZPJMESA-N 402.472 1.724 30 10 HDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1644135254 IXRIDCPCSSJMGK-SFHVURJKSA-N 417.510 1.920 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 1644467288 YYDDCWQEDVSWAF-LJQANCHMSA-N 400.500 1.978 30 10 HDEE COc1ncc(NC(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)cc1C#N 1645095354 OEFIQWFYTDIESW-SNVBAGLBSA-N 409.855 1.706 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)C[C@H]1CS(=O)(=O)C2 1646439562 KBSAYRYXQPQYBD-AYVTZFPOSA-N 415.349 1.563 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc1 1647788553 ZWPKTKXIUCZEMV-QFIPXVFZSA-N 417.506 1.585 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3[nH]c4ccccc4c3Br)C2)c(=O)nc1O 1648787575 SIPXQFHIDXLWLX-UHFFFAOYSA-N 414.219 1.761 30 10 HDEE C=CCOC[C@@H](NC[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(=O)OC 1659598420 HWZXIUKSIGGMIM-HZPDHXFCSA-N 413.515 1.084 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)Cc2ccc(C(=O)OCC)cc2)c1 1661503037 BBWQLVIRSMKBNR-UHFFFAOYSA-N 400.456 1.903 30 10 HDEE C=C(Br)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1667752359 KHOMNEMNRCRIPC-UHFFFAOYSA-N 402.314 1.629 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1674316793 MWVSXLVVFMUORB-HNNXBMFYSA-N 407.478 1.405 30 10 HDEE Cn1ccnc(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1=O 1675876784 HXBGHMRTUCAIMD-UHFFFAOYSA-N 404.434 1.396 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1676830314 QMNRBZRCMCQGBH-GOSISDBHSA-N 401.507 1.956 30 10 HDEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1)C1CCN(C)CC1 1685125009 HXFUFFYUPHZHPQ-UHFFFAOYSA-N 406.552 1.317 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3(C4(O)CCOCC4)CC3)C2=O)cc1 1686084815 TXAFBWMZMXWSIH-SFHVURJKSA-N 412.490 1.675 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689901511 LZSKKLUCCXAPMN-QGZVFWFLSA-N 404.540 1.567 30 10 HDEE C#CCCCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1689906595 OVYPYAVBRXRXPN-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1 1690080012 CYJCGXBZYAMIPH-HXUWFJFHSA-N 409.582 1.997 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1690082458 BWNWFQVCTRVFFH-UHFFFAOYSA-N 424.530 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CC(F)(F)CO2)n1 1690109639 YQGFIVBHRPYZGC-MRXNPFEDSA-N 408.453 1.747 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CC)OC)CC1 1690113503 LMRVOBGPWBKWNU-GHTZIAJQSA-N 405.543 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CC1 1690122349 OGNZQGKTJKCAJD-GOSISDBHSA-N 421.505 1.013 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(=C)C)CC1 1690154589 SZUCXUUHANLLIB-GOSISDBHSA-N 401.511 1.688 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1690156325 VBHWIMPVEKTOES-ZIAGYGMSSA-N 415.585 1.258 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690301186 QPKXWDOTLNYNAQ-GOSISDBHSA-N 420.558 1.959 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690359268 XHHRPDAQQGFXOW-CRAIPNDOSA-N 400.907 1.923 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1690527003 IAOIBVWFFJOFMG-HNNXBMFYSA-N 424.527 1.140 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1690669888 RLXCCQDMCAZVET-NVXWUHKLSA-N 402.543 1.979 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(C)ccc21 1690670700 HHZRNLXNGQORGE-INIZCTEOSA-N 415.519 1.485 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(N(C)C(=O)OCC)CC2)nnc1C(C)(C)C 1690677322 UOZMMAJFEZPLJF-UHFFFAOYSA-N 406.531 1.935 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCCOCC1 1690717708 NWVMTISKZHPXBD-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cc(C)on1 1690725699 ZFSQKDLONDLKPU-UHFFFAOYSA-N 416.507 1.798 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1697998170 YARNUIPHBLCQTO-LJQANCHMSA-N 407.478 1.955 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1705571260 XXQHREPEGRZQMR-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1705611661 LLYWEEZINJNWGO-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1Cc1cccc(S(=O)(=O)NC)c1 1705677874 GIDXVXMEGMFUGC-HXUWFJFHSA-N 417.535 1.763 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1705706029 OMTJUFPEPDVLPG-PXNSSMCTSA-N 413.526 1.447 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCCCO1 1705906195 WQRUJISLHWWTCU-SFHVURJKSA-N 423.521 1.824 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1712594113 XKDCHEWNMGIGOB-SFHVURJKSA-N 408.466 1.235 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COc1ccccc1OC 1719893547 CYZBIGODNYRLNW-DZVNLGKHSA-N 400.475 1.913 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@](C)(O)CCOC 1722343707 OOSGWJKHZSMKJY-QGZVFWFLSA-N 410.316 1.903 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1722365513 FEGOKVLUVMNGHV-IRXDYDNUSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1722368663 UJPCKUWHLIFXRI-SFHVURJKSA-N 421.611 1.979 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722566711 XOZXXODDMWALEW-DLBZAZTESA-N 409.556 1.958 30 10 HDEE CN(C)C(=O)CC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1729299765 HMJXYKVUPRAGFW-INIZCTEOSA-N 412.494 1.990 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740586408 ZZCVZRWRSVSZRL-UHFFFAOYSA-N 409.538 1.441 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCSC1 1740682024 ZXMWBEZHYPORAD-FQEVSTJZSA-N 416.503 1.628 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740718217 KBACGJXPXBVKIL-WBVHZDCISA-N 418.567 1.579 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1740950652 BPEONWNJYGRFBK-MRXNPFEDSA-N 418.542 1.600 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740958798 VFDYMJFCWUPYQN-IAGOWNOFSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCCOC1 1740966805 XPQHOSROXZVRRD-BQFCYCMXSA-N 407.515 1.167 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)C1 1740981247 OMBLIODWLOXISU-SJORKVTESA-N 411.572 1.302 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCCC)C1 1740983945 SWPXETMDXFOSQD-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1741000256 NXWGNMJPWVOHAA-OAHLLOKOSA-N 410.569 1.611 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1742283967 MOEGTQKINWANPJ-LAUBAEHRSA-N 410.478 1.373 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1748730020 BYZZCLKZYLVHSB-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748791601 WYUYGPNYGAKFOO-GOSISDBHSA-N 408.506 1.200 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1Cl 1748825685 CEHZSCGRWUALBY-OAHLLOKOSA-N 419.938 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1 1748864161 RUKVBUUJDDURMO-HOTGVXAUSA-N 409.581 1.637 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnccc1OC 1748948783 WGLFZNJQOQIYLG-UHFFFAOYSA-N 421.461 1.463 30 10 HDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749403124 WYBFZZBFRYSOKM-SFHVURJKSA-N 404.559 1.739 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1749452063 NBUTWQCSJGEUBI-UHFFFAOYSA-N 402.499 1.171 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749721930 WSQRUQFEKQNHCR-QGZVFWFLSA-N 411.572 1.161 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1749735279 QWFPUSCSUGHNRC-CQSZACIVSA-N 423.543 1.016 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1750057600 VVTMSVRQHCLXAT-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE N#CCCN(CC1CC1)c1nnc(Cc2ccccn2)n1CC1(C(N)=O)CCOCC1 1750390110 FGVYUYIMZUSWNT-UHFFFAOYSA-N 423.521 1.676 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760130836 MVOYATSJGIFUJY-IAGOWNOFSA-N 404.515 1.362 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CC(=O)N(CCOC)C1 1760179096 MFJXCSYHQOUNGP-YQVWRLOYSA-N 417.554 1.761 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760186328 MERUFJIRSNMHAH-HUUCEWRRSA-N 400.520 1.478 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760189664 KTEXFDCPCRUIKP-INIZCTEOSA-N 423.564 1.297 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCCCO 1760306057 AJKDKCFQONQDRW-CYBMUJFWSA-N 421.361 1.688 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760346215 OIAKSUMEUPVFBO-HRCADAONSA-N 421.498 1.724 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760351700 KFFCJBMMLQZELU-KRWDZBQOSA-N 418.542 1.600 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1760521969 IXRFIJHWQKTGCT-KRWDZBQOSA-N 418.586 1.858 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)CC2CC2)C1 1760545276 RECVMVILEOQGCC-MRXNPFEDSA-N 405.524 1.879 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCOC2)C1 1760549329 BQRVIJYQSSHDTL-FXAWDEMLSA-N 402.499 1.072 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1 1760554290 YJZSXBSUCJJAGW-LBPRGKRZSA-N 403.455 1.066 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCC(=O)NC1CC1 1762225533 GSTZDICVSQCOMK-UHFFFAOYSA-N 415.542 1.995 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)cs1 1762263048 JJAJVYKKCIDRQC-LBPRGKRZSA-N 411.557 1.121 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCS(=O)(=O)C2)n1 1762413977 GSEBDUJBMVLRCT-WMLDXEAASA-N 419.555 1.560 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1763141668 GGRNLRNVLDMECM-ZWKOTPCHSA-N 410.478 1.735 30 10 HDEE CN(C)C(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1768451561 XMTLSUAEVPGNKD-ZDUSSCGKSA-N 404.421 1.354 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)CCO1 1769242933 RAMIYCNQNMRZFL-KRWDZBQOSA-N 414.535 1.911 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC2(O)CC2)cc1 1770738619 MHKRRWWTDALJAJ-INIZCTEOSA-N 410.478 1.345 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCC1=O 1770756490 GXEFKDJNZTUQHE-KRWDZBQOSA-N 413.526 1.762 30 10 HDEE C=CCN(C(=O)C1CN(S(C)(=O)=O)C1)c1nc(-c2ccccc2)ncc1OC 1851861777 WYWBWFKFPQTZQV-UHFFFAOYSA-N 402.476 1.563 30 10 HDEE O=C1Cc2cc(S(=O)(=O)NC(=NOCCN3CCCCC3)C3CC3)ccc2N1 1853541821 DOXACYRSZLQXRA-UHFFFAOYSA-N 406.508 1.686 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1=O 1853848459 QMBQOSFTEFCNJX-AWEZNQCLSA-N 408.476 1.420 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2csc3c2CCOC3)C1=O 1854226942 SPYPGXCCJVDWON-HOTGVXAUSA-N 403.504 1.281 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)c1 1854316091 UAVJDTHZEGVNTR-RBUKOAKNSA-N 410.474 1.013 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1854317156 HIUQIPKJQHXTQA-QGZVFWFLSA-N 407.430 1.251 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854338962 SFAZCCYVOHWOLP-GOEBONIOSA-N 412.446 1.131 30 10 HDEE Cc1ncc(CC(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)s1 1854406691 SHXUSEUEUOBMET-LJQANCHMSA-N 423.542 1.811 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H]4COC[C@@H]4C3)ccc21 1855555907 AGEAVAXUGDJPPR-HOTGVXAUSA-N 404.488 1.726 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C[C@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)cc1 1855576566 OQRGHSGZILAXNK-QFBILLFUSA-N 407.474 1.807 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC2CC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855740348 UGXZWEKHTCYMMO-GFCCVEGCSA-N 411.430 1.742 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCN(CCC#N)[C@H](C)C3=O)CC2=O)cc1OC 1856197229 MMTLBTDLMNWFIC-HUUCEWRRSA-N 414.462 1.030 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C(=O)C1 1856409814 XBFXJJALWFNCHY-CYBMUJFWSA-N 404.417 1.400 30 10 HDEE COc1ccc(OCC(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(OC)n1 1856518761 OCOLJFYFUMBYNG-GJZGRUSLSA-N 414.462 1.231 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C3CC4(CCOCC4)C3)C2)CC1 1857033819 FUOIADKVAGYURL-MRXNPFEDSA-N 423.535 1.134 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C3CC3)on2)C1)[C@H]1CCN(C)C1=O 1857066974 BPQKYWQKTFATCV-PBHICJAKSA-N 400.479 1.650 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCc3ccc(OC)cc3)C(C)(C)C2=O)CC1=O 1857158010 OJEGIFBWNCLFNH-SFHVURJKSA-N 413.518 1.722 30 10 HDEE CC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1867236973 INXBAYRCDGEUPK-QGZVFWFLSA-N 400.460 1.661 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)CCc1nn2c(C)nnc2s1 1868898055 IZBBITHGMKDKCZ-AWEZNQCLSA-N 422.580 1.865 30 10 HDEE C=CCN(CC=C)c1cc(N2CCN(C(=O)CCN3CCOCC3)CC2)nc(C)n1 1869288928 HPELIQFWCOLPNO-UHFFFAOYSA-N 414.554 1.334 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689141 SUQITJRLIKXGNH-UHFFFAOYSA-N 400.483 1.283 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc4ncccc34)CC2)CC1 1889514363 UHYUYZSICYGKHD-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3cnn(C)c3)CC2)CC1 1889972049 PGGWRDNXCLMKQJ-UHFFFAOYSA-N 401.555 1.001 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC[C@@H]3C#CCN(C)C)cc2)CC1 1890825861 KOMHQGPYKVQTGY-NRFANRHFSA-N 410.518 1.161 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C1(O)CN(C(=O)OC(C)(C)C)C1 1918776661 GFMPRXNKZLNBLZ-LLVKDONJSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010399318 YNUKKVZTUOLWHF-RWMBFGLXSA-N 423.319 1.306 30 10 HDEE CCn1nnc(Br)c1CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2082794589 WCIRVTPGYJUXCW-UHFFFAOYSA-N 414.304 1.983 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(C#N)CC1 2174779535 KJSWEPGXPRAGHV-HNNXBMFYSA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174784797 RTLVPLHJPITKQJ-CPUCHLNUSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1CO 2178914476 NVXLCHAVQKLBGL-LSDHHAIUSA-N 401.529 1.608 30 10 HDEE C#CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 2180095827 XFWHYJBHARKNJU-HOTGVXAUSA-N 400.541 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2181217017 SVLAPOSCKZRCRC-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCc2nc(NS(=O)(=O)N3CC[C@H](C#N)C3)sc2C1 2198509201 DDGGAEOOMWISNM-LLVKDONJSA-N 413.525 1.938 30 10 HDEE NCC#Cc1nc(NS(=O)(=O)N2CC(OCc3ccccc3)C2)ccc1Cl 2241216348 FVLHACPDGXANTR-UHFFFAOYSA-N 406.895 1.603 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250004529 MFPCAJACMCSTIG-WEHONNDLSA-N 422.331 1.793 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCCCO)s2)OC1(C)C 2267714444 KBLUCPPPSZJYDU-UHFFFAOYSA-N 407.388 1.441 30 10 HDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272087088 VTPMGLRLUFXJIN-WOJBJXKFSA-N 424.494 1.744 30 10 HDEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282017849 POAJDPCYKOKPJH-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282097812 KIXWSSBHVVYYBR-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282196017 USJCBQHODONBOP-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@]1(C)CN 2282308086 MPPOFIROFORPAC-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE C[C@@H](CC(C)(C)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282490105 GMYKLHPERUKZEG-NSHDSACASA-N 404.363 1.411 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N(CCO)C2CC2)OC1(C)C 2282499792 FVRNHCIOVMSNQW-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CN([C@H]1CCOC[C@@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504877 VTEJOVYSZASPFT-STQMWFEESA-N 405.322 1.795 30 10 HDEE Cc1nc(S(=O)(=O)N2CCCSCC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282513221 YMPLAUWFURWHEK-UHFFFAOYSA-N 401.363 1.155 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282624674 NLOIEKNYTMSEFI-SANMLTNESA-N 401.359 1.481 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H]2CCCO2)OC1(C)C 2282829571 GWCZWQLSBQJJFM-GFCCVEGCSA-N 402.347 1.431 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3CN)s2)OC1(C)C 2282867858 FHSWQHOVQJPDJN-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC[C@@H](CO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876957 KWKJXTINGINRGZ-GFCCVEGCSA-N 403.737 1.936 30 10 HDEE CC(C)SC[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284386319 CFDCHPZWFDVNLQ-LLVKDONJSA-N 400.331 1.767 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284392717 APQHRSNCNNSLOP-LLVKDONJSA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCC(=O)O)C3CC3)s2)OC1(C)C 2284400842 YWEMYTJYHPJWCT-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CC[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284402216 HQPFJIBHNZIPKR-NSHDSACASA-N 403.331 1.827 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284405491 LEZOTVDURKAAEI-JTQLQIEISA-N 403.693 1.781 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2284411147 GZISEVVAOVYSMB-UHFFFAOYSA-N 403.331 1.312 30 10 HDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)n(C)c3ccccc23)c1=O 2321656267 UOUWGABOTUUOKS-UHFFFAOYSA-N 415.431 1.105 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2338630091 KXCBAQGFSQSPQI-DYVFJYSZSA-N 400.522 1.500 30 10 HDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CCN(C(=O)OCc3ccccc3)C2)CC1 2342040560 RGJFNZIAPUWCOQ-IBGZPJMESA-N 421.471 1.450 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367793555 WKNJGBNKCHKJTG-JKSUJKDBSA-N 400.541 1.558 30 10 HDEE CO[C@H](C#C[C@H](N)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369627514 AFJJWDSABMQCFD-YESZJQIVSA-N 402.557 1.850 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 409477104 VJUXINRRQZBIQJ-IRXDYDNUSA-N 418.922 1.921 30 10 HDEE CCOC(=O)c1cnc(N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)s1 464776922 UXCUKYQBFWCWTJ-UHFFFAOYSA-N 413.503 1.630 30 10 HDEE C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466768482 VTLWPBHYJXTPTN-YJBOKZPZSA-N 417.535 1.057 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(Nc3ccc(C)c(C#N)n3)CC2)cc1OC 468720887 WTRAYABCULFMJY-UHFFFAOYSA-N 416.503 2.544 30 10 HDEE N#Cc1cnc2c(F)cc(F)cc2c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 488239857 DWRLCXVZKUMAMA-UHFFFAOYSA-N 423.445 1.084 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(c4cccnn4)CC3)C2=O)cc1 508691354 MQOHTRWXLTZFCW-SFHVURJKSA-N 405.462 1.375 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](NS(C)(=O)=O)C1 532975459 UZKUYEVIUMFSQG-OLZOCXBDSA-N 410.565 1.839 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c1=O 542219239 HKMLWRCBNCQXOQ-UHFFFAOYSA-N 403.847 1.881 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccccc3Cn3cccn3)CC2)n1 544876641 CAFYQTZEWUKADQ-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O 551717668 WSPNWMVDJAXHNL-UHFFFAOYSA-N 424.432 1.597 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1F 574676492 KBHYXQSWSFBMSV-GOSISDBHSA-N 406.433 1.166 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CNS(=O)(=O)c2cccnc2)n1 582816034 BVLANLHLFMUQGS-UHFFFAOYSA-N 416.850 1.709 30 10 HDEE CN1C[C@@H]2CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)[C@H]2C1 590011716 DWCFLBJZPLPCNR-FIKGOQFSSA-N 411.550 1.992 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)cc1 603798190 JPJPDURFYSHDMF-SFHVURJKSA-N 423.538 1.433 30 10 HDEE CN(C)C[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 604192782 ZPNPSQZTIDSSTL-IBGZPJMESA-N 414.531 1.781 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(Cc3ccnc(C#N)c3)CC2)cc1[N+](=O)[O-] 610991695 WGQZLXHSGWMZEC-UHFFFAOYSA-N 417.447 1.377 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 619834878 HYZBRUVTVCNHCD-CRAIPNDOSA-N 408.528 1.317 30 10 HDEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(F)cc1 727849479 BRJSHEMDHXMDFT-GOSISDBHSA-N 421.425 1.980 30 10 HDEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155838 HAAWFAYJXJQQLB-XUTLUUPISA-N 410.478 1.469 30 10 HDEE N#C[C@H]1CN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CCN1C1CC1 732664702 TUWWAVZVMCREGZ-ZDUSSCGKSA-N 410.446 1.218 30 10 HDEE N#C[C@H]1CN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CCN1C1CC1 732674746 RRBWPEIPEGFUQE-NRFANRHFSA-N 409.534 1.992 30 10 HDEE C=C(COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)OCC 734022268 BITMUSCLZHPXKA-RISCZKNCSA-N 405.856 1.030 30 10 HDEE COC(=O)c1nn(CN2CCN(c3ncccc3C#N)CC2)c(C)c1Br 744131167 WAASMKAIEULONN-UHFFFAOYSA-N 419.283 1.787 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1 746167224 CDWQWCRYOAAIGL-MVZUJROASA-N 403.410 1.853 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C1CC1 746665145 NUCRDZVKGAQLNE-LBPRGKRZSA-N 415.269 1.718 30 10 HDEE C[C@@](CO)(NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472803 BIWCTMDGTIEUKW-QHCPKHFHSA-N 422.437 1.480 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)N3CCCC3)C2)CCCCC1 760402870 YJCLLIRTVCTNKP-INIZCTEOSA-N 410.540 1.834 30 10 HDEE COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766841022 QMZUMCXVTIALSB-MSOLQXFVSA-N 401.463 1.897 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)cc1C#N 768108428 QRCNZECDNJNWIB-UHFFFAOYSA-N 420.429 1.938 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2C)N(CCc2nnnn2C)C1=O 771538968 QGSGOTDAEMQGAO-ZDUSSCGKSA-N 421.914 1.482 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@](F)(C#N)C2)c(NS(=O)(=O)C(F)F)c1 786137045 ZOKGKKJBSFTDNU-ZDUSSCGKSA-N 413.399 1.286 30 10 HDEE CC(=O)c1ccc(Br)c(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 797576103 OHYHUJMDECJCFP-UHFFFAOYSA-N 410.249 1.981 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl)n1cnc(C#N)n1 798743772 KZYBAIJVBIHNBZ-ZETCQYMHSA-N 402.720 1.960 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CCOC)C(=O)OCC)ccc2c1=O 799071539 MMMGSDKMHQLPKR-CQSZACIVSA-N 405.476 1.569 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)OCc3cccnc3C#N)cc2[N+](=O)[O-])CC1 813165276 ZDJOGEOFKDDLFP-UHFFFAOYSA-N 409.402 1.887 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 849579794 SGWUVKKGMRXOQE-QZTJIDSGSA-N 404.478 1.855 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)NC2(CCCC2)C1=O 1126549448 HXCSIGMNSBBRRS-CYBMUJFWSA-N 407.434 1.390 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1130117626 TYPKBBWDTSCZNG-ZFWWWQNUSA-N 400.522 1.019 30 10 HDEE C[C@H](COc1c(F)cccc1F)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1130811023 ORRNHCYKWRBNJT-LLVKDONJSA-N 409.414 1.587 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1132192658 MOQWPGULPVZGSF-WCQYABFASA-N 420.940 1.778 30 10 HDEE C=C(C)C[C@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1133157444 MJHXSTRUUCHJTR-JSGCOSHPSA-N 400.522 1.602 30 10 HDEE CCn1c(S)nnc1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1146632426 HGYNTUVIKGGCBC-LBPRGKRZSA-N 418.910 1.824 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)C2)c1 1149469014 MYBHSDDHEFIAOQ-UHFFFAOYSA-N 403.439 1.080 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3nc[nH]c3[C@H]2c2ccccc2)cc1 1151236187 FHOJQHLICANTAW-OAQYLSRUSA-N 421.482 1.734 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(=O)N(CC3CC3)C2)C1 1155960273 XZEWTAIMASWHMM-UHFFFAOYSA-N 403.280 1.795 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)c2C1 1156248049 XBCPNRVFEGYZGI-SJLPKXTDSA-N 421.505 1.565 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(Cl)cc3Br)C2)c(=O)nc1O 1159490746 UOMDEJAAOKGNSR-UHFFFAOYSA-N 423.654 1.862 30 10 HDEE C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491649 ZGOWDNRFCIUUAM-LLVKDONJSA-N 400.822 1.766 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1164670929 AUVUZASFLGWDJH-PGRDOPGGSA-N 419.481 1.390 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@]23CCCC[C@]2(COC3)C1 1168015533 JNBSPQIFAYZAID-RYGJVYDSSA-N 403.504 1.644 30 10 HDEE COc1ccccc1[C@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCO1 1175428523 XVGCHYYICBIEHD-TZIWHRDSSA-N 400.523 1.761 30 10 HDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1Cc1ccc(C#N)cc1C(F)(F)F 1196535725 NDCOITCHSFGNOX-JSGCOSHPSA-N 410.352 1.245 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1OCCN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198336508 KDFSTTDAKBNZRA-MGPUTAFESA-N 406.504 1.891 30 10 HDEE CN(C)[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1Cl 1221099971 DHWDPFOHDDCBQY-OAHLLOKOSA-N 404.858 1.076 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1221475118 SRYXIJWZFXJQMZ-UHFFFAOYSA-N 418.563 1.758 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1 1224764226 UNTNBNKVPFBSSQ-INIZCTEOSA-N 419.341 1.643 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1251528097 DTUHOEAUBUBZMR-UHFFFAOYSA-N 410.515 1.233 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC(C)(C)C(=O)N3CCCC3)CC2)c1C#N 1254052598 BERKXIUABYNMNB-UHFFFAOYSA-N 401.515 1.080 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286346649 BFKIRCXJFVBUNO-QGZVFWFLSA-N 409.556 1.699 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286348547 LPZLCUQAKUUVJG-FQEVSTJZSA-N 400.571 1.800 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cc(CO)nn1 1286364765 IYMSSCJCHSJVJD-UHFFFAOYSA-N 417.420 1.790 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1286456261 PGOOIMIUZSZVCH-KRWDZBQOSA-N 412.469 1.486 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCSC2)CC1 1286491381 PLLYWEVLFKTLMX-GOSISDBHSA-N 424.574 1.983 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1286833946 VIMCVVGJQPEHMB-UHFFFAOYSA-N 416.551 1.478 30 10 HDEE CC1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1289037305 IARPXKUGRLDHGS-ZCXUNETKSA-N 400.483 1.372 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1289201641 QHMHXSRGBDUXKO-VCBZYWHSSA-N 421.906 1.085 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(N3C(=O)c4ccccc4C3=O)c2)CC1 1294723733 UDKQBSFUVXKKDH-UHFFFAOYSA-N 402.410 1.685 30 10 HDEE CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1295094289 ZUWNDMQLYZIMIU-DHQBXBPASA-N 418.498 1.301 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1295161847 KYMHTHFMYZZZDF-IRXDYDNUSA-N 421.498 1.815 30 10 HDEE C=CC1(CC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CN(C(=O)OC(C)(C)C)C1 1295196107 RFYJBRDDOOMQES-ZDUSSCGKSA-N 410.433 1.934 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1298690761 NSEAXLJWPYWVGV-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1300308263 OBZCCFCEDOPIQE-OKZBNKHCSA-N 423.583 1.139 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1300382066 NBPMONDWHFVJJK-UHFFFAOYSA-N 422.533 1.721 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1300606848 VZLFDBOKZLJPOU-UHFFFAOYSA-N 415.519 1.334 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1 1300664783 FUHHGVJUJPDRBV-KRWDZBQOSA-N 424.567 1.963 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301248523 GXSQLPDDSXESKR-UHFFFAOYSA-N 421.505 1.898 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1301252518 OZRZONGIMBWGSZ-MRXNPFEDSA-N 407.515 1.657 30 10 HDEE COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1301457948 BGFUZUMSRNKAST-RBUKOAKNSA-N 405.478 1.369 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1301493231 WTCVYDTUQFZQEO-OAHLLOKOSA-N 412.494 1.348 30 10 HDEE CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1302291138 BYYZFOBRFMTMCB-UHFFFAOYSA-N 410.478 1.784 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CC2(CCOCC2)C1 1303802761 COVOHSDTXCTKOR-HUUCEWRRSA-N 424.571 1.833 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOCC(F)F 1303822842 FQSIRNBGIGQNFZ-GFCCVEGCSA-N 420.486 1.300 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c1 1303966749 BAOAJVWNMMKANE-UHFFFAOYSA-N 422.466 1.888 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1305635507 FWDGPXQNXCSYSU-MDOVXXIYSA-N 401.515 1.664 30 10 HDEE Cn1c(=O)[nH]c(NCc2ccc(I)c(Cl)c2)c(C#N)c1=O 1307103778 GMWHKVWSOXKURC-UHFFFAOYSA-N 416.606 1.815 30 10 HDEE Cc1nc([C@@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)no1 1308072370 VNMUORNOCUYBSA-IEBWSBKVSA-N 412.469 1.716 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(OCCOC)c(Br)c1 1309962666 BQIAEFPTKHBMGG-UHFFFAOYSA-N 406.298 1.745 30 10 HDEE C[S@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1316365592 GWENPJMJQVHGCM-HPGBDJQBSA-N 408.503 1.144 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2sccc2CC#N)CC1 1351720047 HKNMZIXBDRQVJZ-UHFFFAOYSA-N 408.505 1.956 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@@H](O)C1 1358941361 HGUFVGMNZPRHOF-DOTOQJQBSA-N 402.520 1.969 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1359001504 WGMAXRPYUUGJHV-HXUWFJFHSA-N 424.567 1.603 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1359112075 XLSKHHSUFRQBQD-QGZVFWFLSA-N 404.559 1.867 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359126098 FVFVFUZHDGDWPR-HNNXBMFYSA-N 408.503 1.286 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1COCCO1 1359281470 ATUNLEHOZQHQEL-QFBILLFUSA-N 416.478 1.845 30 10 HDEE C=CCOCC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1442709171 UZMDZCAHXXEZFV-UHFFFAOYSA-N 413.496 1.631 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)ccc2c1=O 1457938618 QDRJLUJKROIQIS-MRXNPFEDSA-N 414.531 1.542 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 1462877305 ULZNTMWPTBQGKK-VIFPVBQESA-N 405.910 1.156 30 10 HDEE C=C[C@H](O)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1467498185 UPWAOTDGKGURCT-GJZGRUSLSA-N 400.260 1.919 30 10 HDEE N#CCCN1CCN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 1468503300 CHPJMIUDBFPQQM-UHFFFAOYSA-N 418.929 1.229 30 10 HDEE CN(C)c1ccc([S@@](C)(=O)=NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1471016671 ADWVBHUPPZLFPD-HHHXNRCGSA-N 420.516 1.586 30 10 HDEE C#C[C@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1475429599 DPFYHXFCIFIPDO-IBGZPJMESA-N 412.467 1.593 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1503760653 NQLZGIWALZBGNZ-IBGZPJMESA-N 424.505 1.585 30 10 HDEE CNC(=O)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1503786318 GSRDZVHFCXOXJS-MRXNPFEDSA-N 411.466 1.095 30 10 HDEE COc1ccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1504233223 APKNOLWAVYMRFX-IBGZPJMESA-N 424.505 1.884 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC(O)CC1 1507549087 YJNMHMHOKDEMMO-LNLFQRSKSA-N 405.543 1.307 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1507618033 GNMQOXFZBUQJOJ-UHFFFAOYSA-N 410.503 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NC(C)C 1507668460 DRNVDPXTFIMTGF-UHFFFAOYSA-N 407.474 1.704 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1507669178 IVXJDEABDOOCIW-RTWAWAEBSA-N 413.566 1.992 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1507741468 UJSSWGSRCNENRJ-BCDXTJNWSA-N 417.554 1.984 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507755433 UOSSTNCQQOGBDH-CVEARBPZSA-N 418.567 1.289 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1507978940 VPXVILUVXGGZHL-UHFFFAOYSA-N 419.493 1.576 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)COC)C1 1508113880 BGPIWYBTPZVYMX-APWZRJJASA-N 424.509 1.985 30 10 HDEE Cc1nnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(CCC#N)CC2CC2)s1 1511747628 GLCFPZJDRMDKOK-NSHDSACASA-N 424.556 1.227 30 10 HDEE CCn1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1515790555 PNHXMNJEVGSCGX-KRWDZBQOSA-N 410.503 1.889 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1525739027 NGPPJUTVJSJCHP-OLZOCXBDSA-N 403.298 1.773 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCn2cnnn2)c1 1525957105 WASMLNAHFLHQJC-CAPFRKAQSA-N 405.484 1.295 30 10 HDEE COC(=O)CN(CC#N)C(=O)CCS(=O)(=O)c1cccc(Br)c1 1532351847 BIAUQXQUYRQXKU-UHFFFAOYSA-N 403.254 1.138 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)Oc3cc(Br)ccc32)C1=O 1533966785 DKQSFKIGRPJUAO-JTQLQIEISA-N 422.235 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@H](C#N)C2CC2)(C(=O)OC(C)(C)C)C1 1537848827 JQDRQENLJYURGG-JLTOFOAXSA-N 409.483 1.753 30 10 HDEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1538539493 HVMGMQNQIQARMD-SYNHAJSKSA-N 404.488 1.372 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1539014230 LLMLYFQEHBRLPN-UONOGXRCSA-N 407.565 1.900 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539220552 KYJTUKGSXTWJOA-MRXNPFEDSA-N 417.539 1.232 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)CC(F)(F)F 1539317758 HQVQAKRNVQNGJI-OAHLLOKOSA-N 410.444 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1539324001 NXUVIDMUJJPSCS-OAHLLOKOSA-N 401.467 1.226 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CCOCC2)CC1 1539427965 KTBXZKWMCSVSBZ-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540034194 YGTHTOJQSWOEIT-DLBZAZTESA-N 418.542 1.515 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1540074444 YUUSDFRPNROZJS-QGZVFWFLSA-N 413.478 1.695 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1540873249 SAGFZLGVVRSSHP-WMZOPIPTSA-N 423.521 1.823 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1540892308 JOIIMXQMHRTFME-IRXDYDNUSA-N 408.524 1.308 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540900943 NXVVZTBFOUNZDL-QGZVFWFLSA-N 418.567 1.939 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1540941226 NUTSISGGBMECIA-HNNXBMFYSA-N 406.450 1.553 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1541513041 FYMOXMHPMHJTDR-CVEARBPZSA-N 415.542 1.910 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1542012730 DTMAGMMHEOQVSW-INIZCTEOSA-N 401.515 1.080 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1546586526 RNGYDHONEOEDDZ-KRWDZBQOSA-N 408.466 1.368 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555270385 WWUJYCHNHPJVOC-HNNXBMFYSA-N 411.441 1.803 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C1 1555796662 GMTJXLDMRBFAQK-INIZCTEOSA-N 412.475 1.866 30 10 HDEE Cn1cccc1[C@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1556147439 XRIGNIXSDOEQCZ-QGZVFWFLSA-N 416.503 1.444 30 10 HDEE C=CC1(CC(=O)N2CCN(C(COC)COC)CC2)CN(C(=O)OC(C)(C)C)C1 1557013206 DIEKIHOHOOJTOJ-UHFFFAOYSA-N 411.543 1.605 30 10 HDEE C=CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OCC 1567457122 QGSOJYGDRCTRRW-CYBMUJFWSA-N 416.521 1.131 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1584109349 YTTBGTQNHNKPRO-UHFFFAOYSA-N 406.373 1.489 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)[C@@H]2CCCOC2)ccc1F 1584512326 ZXPSITGGHJLGNU-ZBFHGGJFSA-N 400.472 1.461 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1584578056 DUXYXSRQPKOTNU-QGZVFWFLSA-N 417.514 1.376 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cn1 1585090492 GFIVJFYPCNNJSI-UHFFFAOYSA-N 413.503 1.719 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1cccc(OC)c1 1588128579 PGOSQPCOLPKMDP-APWZRJJASA-N 407.474 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CCC1 1588171020 RBZJRHLJCDHXFV-NDEPHWFRSA-N 401.536 1.278 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1588200139 DTSGKADMBGPWLG-UHFFFAOYSA-N 422.880 1.668 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1593746348 BSHVJCPFIFHVHE-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1595418224 DKVJZQFQQNQBEX-YLJYHZDGSA-N 409.538 1.439 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595551561 RSTJLBAJAXUJFY-SJORKVTESA-N 404.559 1.326 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1596789069 FIQGUEWRYJEXEO-HUUCEWRRSA-N 411.576 1.359 30 10 HDEE N#Cc1cncc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1596856613 ZZSUVGOLNHLHGI-UHFFFAOYSA-N 414.487 1.223 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1614069957 JCQHTQFONYNNRY-OALUTQOASA-N 424.505 1.727 30 10 HDEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCOCC1 1616933240 OYUOQERYZLQLOF-UHFFFAOYSA-N 424.519 1.571 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCCC1 1620025265 OQCDVOGSUCFUQT-QZTJIDSGSA-N 406.531 1.607 30 10 HDEE C=CCCS(=O)(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1622563591 YIHGMGVQPGIJKG-QWQRMKEZSA-N 402.513 1.671 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(-c2cn(C)nn2)c1 1626428113 FMFQOMKOXHCSCF-AWEZNQCLSA-N 403.450 1.886 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 1626600135 IZAKZZXSVPJAGK-INIZCTEOSA-N 413.540 1.177 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 1627849052 ZPLHFYBIOWXDHZ-HNNXBMFYSA-N 402.472 1.690 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1628859627 DISYSXRRVCBGDP-LJQANCHMSA-N 413.522 1.190 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1630401682 LDASTWTXYIYNPU-RHSMWYFYSA-N 410.923 1.745 30 10 HDEE COC(COCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)OC 1633157512 FFTIFBBSWPQMOG-CHWWFWEZSA-N 411.499 1.525 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)n[nH]2)c1C 1633278850 OOOQMKSUZLEDHX-GFCCVEGCSA-N 410.400 1.969 30 10 HDEE C#CCN(C(=O)[C@H]1CC(c2cnn(C)c2)=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818744 UVWAZABTORNAHR-GOSISDBHSA-N 415.494 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC1CC1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1635378079 CRSBQTZWQAQAPQ-CQSZACIVSA-N 404.471 1.750 30 10 HDEE COc1cc(N)c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1S(C)(=O)=O 1635487907 MYSWDMKKWXHKNP-FQEVSTJZSA-N 414.487 1.773 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1CCN(C2CCOCC2)CC1 1636830537 YDALBRUWNYYNRI-UHFFFAOYSA-N 403.531 1.329 30 10 HDEE C#CC[C@]1(C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1637651979 VCRCVUQDARJSNW-LJQANCHMSA-N 423.491 1.771 30 10 HDEE C=CCCOCCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1637944462 ZZMJVXQGJDMMOO-UHFFFAOYSA-N 402.538 1.464 30 10 HDEE COC(=O)[C@@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1638436864 FXYPUMQMFNSMBQ-LTWWHTJUSA-N 423.535 1.890 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N(C)C(=O)C2CC2)cc1)c1cc[nH]n1 1638780807 OBZZELXQUJZYPL-UHFFFAOYSA-N 413.434 1.705 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(C(F)(F)F)n(C)n1 1640313387 BMUFSZSDRQLDDU-JTQLQIEISA-N 415.397 1.294 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OCC)C1CCCCCC1)c1cc[nH]n1 1640445596 OWQANYHJXBMMDK-KRWDZBQOSA-N 422.482 1.712 30 10 HDEE Cn1cc(C(=O)NCC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cn1 1641847420 SDHFWNSCBWKEPJ-UHFFFAOYSA-N 419.485 1.162 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCOCC3)CC2)c1 1642217290 IGBAJNQKQUQUKA-UHFFFAOYSA-N 407.536 1.478 30 10 HDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CCc1cccc(C#N)c1 1644228422 MPUPIHVOBFLVDQ-INIZCTEOSA-N 414.531 1.427 30 10 HDEE CC1CC(C#N)(C(=O)N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1 1644239837 OOMMLIWWLANGSR-KEDZRVRNSA-N 418.494 1.967 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2Sc2ccccc2)CC1 1644281849 NTKZPOITWILNDO-UHFFFAOYSA-N 416.528 1.458 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCn4ncc(I)c4C3)nc12 1644637393 XBIJBAWPUMLGBC-UHFFFAOYSA-N 421.202 1.123 30 10 HDEE COC(=O)CCN1CCC[C@@H](N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 1644823526 PRSLEQVSSAZEJM-MRXNPFEDSA-N 401.467 1.100 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1 1647167651 BVPCPAOFIURTKR-INIZCTEOSA-N 414.372 1.128 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)c1 1647746391 PAWGFGYAJXMMEB-ZIAGYGMSSA-N 417.409 1.223 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1648397430 DRQWHVBQTMLBPJ-GUXCAODWSA-N 402.520 1.484 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](CO)[C@H](CCO)C2)nnc1-c1ccco1 1648861266 QQNPHERDWYGUPZ-CABCVRRESA-N 406.508 1.656 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)c1 1653579431 LXPVCRNMMBUFNB-UYAOXDASSA-N 400.500 1.827 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C[C@@H](O)COc3ccccc3C#N)CCO2)cc1 1659555071 GJVOTOGORIVGHE-NQIIRXRSSA-N 416.499 1.775 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@H](CO)C1 1660112459 HSSLDXVJGZVXQB-INIZCTEOSA-N 409.508 1.246 30 10 HDEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1 1666612697 AFOFKSZZQQBNKK-UHFFFAOYSA-N 411.487 1.326 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCN(C(=O)OC(C)(C)C)CC1 1668536110 FOPXUEGRWOKZKU-RBUKOAKNSA-N 420.554 1.894 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2OC(F)F)CC1 1675775607 CLFSKVBEDRHHLX-CYBMUJFWSA-N 416.450 1.144 30 10 HDEE C=CCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 1678536989 FERAWUSAYUHOGX-AWEZNQCLSA-N 408.480 1.763 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1680682225 JKIJMIILXYBSGZ-MKVSYHDVSA-N 424.320 1.885 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H](O)COc1ccc(I)cc1)C(C)C 1682897745 XIWLXOBADMNQQR-HIFRSBDPSA-N 416.259 1.988 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 1683308850 FBCAIONFTOTWIH-UHFFFAOYSA-N 412.943 1.412 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O)nc1=O 1685217425 PUMHSIZZRXTBCN-SFHVURJKSA-N 424.505 1.623 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOc4ccc(O)cc4C3)C2=O)cc1 1686340978 AQNFMIFQRHUCSW-IBGZPJMESA-N 406.442 1.969 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689904155 MJISWLPDBMABFM-UYAOXDASSA-N 416.570 1.607 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1689961205 ORZXHTGZMXEFDK-UHFFFAOYSA-N 400.464 1.219 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1689966034 IZWQNPBICILQDE-LJQANCHMSA-N 411.506 1.971 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1689998135 CKOKIKJYKNDIJN-IAGOWNOFSA-N 410.540 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1690008742 NCBJNNRKHFPULW-UHFFFAOYSA-N 406.899 1.006 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC(F)(F)C1 1690032986 NXVRGHYHANTLOH-LSDHHAIUSA-N 413.494 1.787 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1690515704 RRKKAOJDUFFEKV-CQSZACIVSA-N 416.511 1.140 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCCS(C)(=O)=O 1693514737 ZJFFEDLPEBSSOV-UHFFFAOYSA-N 417.539 1.395 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1696341324 HZCLFFGRVGSTIN-SFHVURJKSA-N 412.494 1.488 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1NC(=O)CC1(C)C 1698061953 ZGJAGVFTKFSEDS-HZPDHXFCSA-N 404.515 1.453 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1705486075 WKSIQZJEXJWCBQ-RHSMWYFYSA-N 419.493 1.293 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1705494657 CYMNFJKVNBUNJZ-ZBFHGGJFSA-N 423.564 1.373 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1705514591 CCUCUKOGXCVICD-UHFFFAOYSA-N 414.466 1.698 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1OCC=C)[C@H]1CCS(=O)(=O)C1 1705562157 YAXPQSFAQULELI-SFHVURJKSA-N 400.504 1.826 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H]1C(C)C 1705574169 WWHORKSENMTMNC-BBWFWOEESA-N 407.540 1.022 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)CC1 1705640576 XCKYLUQJDIYTHK-QGZVFWFLSA-N 416.526 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccccn2)CC1 1705652999 VTQSHTNKLVCFJL-LJQANCHMSA-N 408.506 1.733 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705658448 PYVQUFNRKAANGY-KRWDZBQOSA-N 410.507 1.413 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705661361 ZTDXOVSJOZVPSY-OAHLLOKOSA-N 409.556 1.937 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 1705661983 MPRTVUANFNHXBJ-KRWDZBQOSA-N 418.544 1.726 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1705772373 OFPRLVXRRBIGBO-UHFFFAOYSA-N 405.466 1.962 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705812329 WZDGTHDVNYAOSL-NWDGAFQWSA-N 411.450 1.622 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccs1 1705884450 OXUJNBXJLHPMCO-LIRRHRJNSA-N 405.524 1.837 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCO2)C1 1705917298 VWHVHYHQCFSOCZ-OWCLPIDISA-N 413.544 1.239 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)C1 1706935112 MHTWCWVCNAVUFZ-GPMSIDNRSA-N 407.540 1.879 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1710992335 BNSBQYAYKFWCRP-IEBWSBKVSA-N 404.478 1.767 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(N(C)C)CCOCC1 1712621324 CRPXSHZHOGNLAC-BZSNNMDCSA-N 420.558 1.851 30 10 HDEE CS(=O)(=O)Cc1cccc(Cn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)c1 1712695738 DVFNMSNQIKGZHZ-QGZVFWFLSA-N 401.492 1.477 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1722323917 JGAKNSPMXWAPSH-OAHLLOKOSA-N 417.535 1.873 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1722362953 XJLGOLIHFKGRIZ-MRXNPFEDSA-N 405.524 1.717 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722381430 QNLXWTQOOKDETR-KSZLIROESA-N 412.538 1.190 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCO[C@H]2CCOC2)CC1 1722439592 IFYVEQBVKGJCMD-FQEVSTJZSA-N 401.555 1.962 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccnc(OCC3CC3)c2)CC1 1722441674 NNXQAWLAGBWAEK-UHFFFAOYSA-N 410.522 1.802 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1722459329 HWGGGSITYSVSFL-LSDHHAIUSA-N 412.581 1.550 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722617328 ISXBUAJHUQKEFS-OAHLLOKOSA-N 407.540 1.253 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722637442 IUTSFMLKAUXKPI-IRXDYDNUSA-N 413.505 1.647 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N(CC)CC)CC1 1722700860 XHOOYHISKIVYKP-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H]1C 1722726919 GZONVWBSVPIFFL-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)OC(C)(C)C1 1722728164 UWEHLVYPKLGQGI-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726567593 PUBFGUNOAVPJGH-YKHTYXQRSA-N 400.483 1.545 30 10 HDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)cn1 1729575953 FIAUZWBYNHMBAQ-UHFFFAOYSA-N 404.478 1.509 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccnc1C 1730299122 FFXVNXFUDCAKAW-SFHVURJKSA-N 419.489 1.947 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1740548507 GWAPQZMDMATBGF-VQIMIIECSA-N 403.490 1.980 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740616487 BRRYCSQYJFROKP-NVXWUHKLSA-N 418.519 1.689 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1740653699 UYXFHLXXWSUXNQ-IBGZPJMESA-N 424.549 1.337 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740743969 JMSLVZGITQMKAB-OLZOCXBDSA-N 412.288 1.722 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OC)C1 1740790067 ONUQIKJUIHRNQG-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1740875325 AAXBMBSHEUHSMA-CYBMUJFWSA-N 407.487 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCSCC1 1740953927 WBGAQYQCHVQJEE-UHFFFAOYSA-N 411.329 1.891 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740954024 ZIHZEELFZHLCGS-OAHLLOKOSA-N 415.885 1.115 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740959757 DPSJBDPSRZAZBI-IAGOWNOFSA-N 416.526 1.066 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1741801437 AQBSKZFDWOKYRW-GJZGRUSLSA-N 410.544 1.540 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1741801650 CCHUSVNOIQPGOT-AEFFLSMTSA-N 423.521 1.852 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1743783002 LCOFYALSMRLYCK-SJORKVTESA-N 407.515 1.733 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCC1 1748638155 JTSGNKXLAKVQIR-CQSZACIVSA-N 409.556 1.622 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748671718 NCGMHEYZFZGLRH-RRFJBIMHSA-N 401.433 1.503 30 10 HDEE C#CCCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1748763796 AHWHNRMAHATUOW-JOCHJYFZSA-N 415.538 1.792 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748817185 GJDUHSCFRAOJPZ-SJORKVTESA-N 420.560 1.713 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1748830164 PWBBLNUDPBANEM-SFHVURJKSA-N 413.444 1.497 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cn2)CC1 1748978795 OQNQGZCASRPSGH-OAQYLSRUSA-N 414.485 1.268 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCO[C@@H]2CCOC2)CC1 1749005409 WAEODPUQJARVMI-GOSISDBHSA-N 403.527 1.563 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1749219892 VZWVUUXRVOXDHB-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1749458049 VSHQKRXGZYKOCA-FGTMMUONSA-N 424.567 1.921 30 10 HDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749710679 PCWPSYHVDPTXHW-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1751095401 CGMNUFHUOFWQNJ-IAGOWNOFSA-N 408.572 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1760109727 DDIVHRSSWQSXNX-AWEZNQCLSA-N 417.539 1.174 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1760187119 HXNVTSLFPGCGSS-IAGOWNOFSA-N 406.552 1.845 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1760262220 JULSOZNARGZTMK-HSZRJFAPSA-N 422.533 1.111 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1 1760296991 CIPQDYBHJLQWCZ-NHCUHLMSSA-N 416.595 1.830 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760451419 ISCSAQHECZOISE-UHFFFAOYSA-N 404.515 1.590 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760522440 TURBSHCHDJZFPS-MRXNPFEDSA-N 416.526 1.066 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCOC2)C1 1760534919 IUTCCYZTWVIRGF-GDBMZVCRSA-N 411.528 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C)C(C)(C)C1 1760549044 VJUYBIQRCSPLTB-OAHLLOKOSA-N 411.572 1.890 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760692433 GQOQRLSQTMCUNH-CABCVRRESA-N 403.512 1.217 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O)N1CCOCC1 1761396011 HQPCYCVECCQRJE-CVEARBPZSA-N 411.510 1.238 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1763225424 URVCTBJMTVWXGM-MJGOQNOKSA-N 424.505 1.870 30 10 HDEE COc1cc(F)cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1768348618 CSXINCYBERMCBT-ZFWWWQNUSA-N 421.498 1.972 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1769202428 XXMYTJRLPFWADO-SFHVURJKSA-N 412.494 1.442 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770727134 CEZAWZBGULSPCK-IETCZJMGSA-N 422.424 1.308 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1771023582 URUPQHXWNUOOPF-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)[C@H]1CCCO1 1851304504 FHOLLPFBHPLLOK-QGZVFWFLSA-N 403.446 1.664 30 10 HDEE C=CCN(CC(=O)N[C@@H]1CC(=O)c2cc(OC)c(OC)cc21)[C@@H]1CCN(C)C1=O 1851727753 POYIZWYRJXYMSI-HZPDHXFCSA-N 401.463 1.166 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CCCC3=O)cc1 1852601119 SPPXLUCAUQGPTG-GOSISDBHSA-N 424.457 1.668 30 10 HDEE N#Cc1cc(Br)cnc1NC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1853310821 GHNMSSISIPCBTD-JTQLQIEISA-N 413.297 1.858 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CCC3=O)C2)no1 1853687289 KESSJLSMKMDXIV-INIZCTEOSA-N 413.478 1.056 30 10 HDEE CN1CCN(C2CCN([C@H]3CCCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)C1=O 1853727915 JXOMKEVDTXOUOX-IBGZPJMESA-N 409.490 1.521 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCCO4)C3=O)CC2)CC1 1853730299 MCJPLZQMUGIVIC-MOPGFXCFSA-N 416.522 1.157 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)CCC(=O)N2CCN(C)CC2)c2ccccc2N1CCC#N 1853946225 JJWZFDGCMJEACP-QGZVFWFLSA-N 411.506 1.613 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@H]4CCCC[C@H]43)ccc21 1853966451 GTJODCLBDMNYDZ-MSOLQXFVSA-N 417.487 1.738 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cnn(CCC)c2C2CC2)C1=O 1854167488 HMGAJNRKVTYUQS-ROUUACIJSA-N 413.522 1.630 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2cccc(OC)c2OC)C1=O)[C@@H]1CCN(C)C1=O 1854167999 XHLCRTWIHVLFEW-SJORKVTESA-N 415.490 1.093 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283877 PKNVXWOSXJQDHZ-WBVHZDCISA-N 402.474 1.370 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CC(c4nnc5ccccn45)C3)C2=O)ccn1 1854335560 WCWSEKBIGKCSFU-KRWDZBQOSA-N 401.430 1.227 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854402077 XNBMLBGZWSOWOP-INIZCTEOSA-N 419.503 1.681 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)c3cnc4sc(C)cn4c3=O)C2)CC1 1855076097 YWHBZOUZXNNBKP-HNNXBMFYSA-N 400.504 1.951 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)C(=O)C2)C1 1855097490 GNHUXLPZWTXARY-KRWDZBQOSA-N 411.437 1.753 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855204568 HHRNHSCLWJMNTA-RTBURBONSA-N 417.550 1.821 30 10 HDEE C[C@@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@@H]1CCOC1 1855975569 IUYMHPBLXZFODI-ZIAGYGMSSA-N 405.476 1.309 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(CCn3cnc4cc(F)ccc43)CC2)CC1=O 1856103927 AQFUKVPKEKAEMD-INIZCTEOSA-N 412.469 1.082 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3C[C@@H](C4CCN(CCC#N)CC4)CC3=O)c2n1 1856155165 HQMXKZZVFYEMRZ-KRWDZBQOSA-N 407.474 1.617 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(CCn4cccn4)CC3)C2=O)cc1C#N 1856194228 DHMGMBFEKBQKFU-HXUWFJFHSA-N 406.490 1.122 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cnc4ccccn4c3=O)C2)CC1 1856947304 CBDGCDHWZRYKME-QGZVFWFLSA-N 407.474 1.699 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(C(=O)C4CC4)CC3)CCC2=O)cc1 1857471589 WCNBOXCWJVDFAI-IBGZPJMESA-N 408.502 1.420 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCCO)c(C)cc2=O)nc1C 1870088048 KHGZIQSGWGOARP-UHFFFAOYSA-N 421.475 1.664 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)CC1 1889251985 XVXALQRGBMLUNK-UHFFFAOYSA-N 409.481 1.230 30 10 HDEE COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1OC 1891354704 UECSISGFZZVWQI-AWEZNQCLSA-N 401.444 1.659 30 10 HDEE C#CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1892101074 CXPPRSNGPBDINA-FUHWJXTLSA-N 421.475 1.389 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(=NO)C[C@H]1C2 2126496253 HIURTRQSHJGYAW-DZGCQCFKSA-N 419.503 1.953 30 10 HDEE CCOC(=O)CS(=O)(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157020440 RAKIKEHSUOXENZ-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)CC2(C#N)CCCCC2)C1 2201716088 LIBQSYDCACGVBZ-UHFFFAOYSA-N 401.529 1.609 30 10 HDEE N#CC1(CS(=O)(=O)Nc2ncccc2I)CCOCC1 2202452412 UHOYHLGEHHOSJH-UHFFFAOYSA-N 407.233 1.748 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2241668789 WKFKCJOTRCJQHX-ZIAGYGMSSA-N 401.504 1.800 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CC4(C3)OCCO4)c2)OC1(C)C 2255943747 UOZRMFCYCSHTDC-UHFFFAOYSA-N 415.342 1.479 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCCNCC3)cc2Cl)OC1(C)C 2267355728 IEDZTEZYMFZDHZ-UHFFFAOYSA-N 406.766 1.685 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H](N)C3)cc2Cl)OC1(C)C 2267356852 PBILBTQEONWGBM-JTQLQIEISA-N 406.766 1.813 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@H]3CO)cc2Cl)OC1(C)C 2267705346 XOIFQVSMXIUFNT-GXSJLCMTSA-N 407.750 1.750 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCC[C@H]2N)OC1(C)C 2282346887 ZAFFWJPQWCDSPA-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCN(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282501660 ZZKSJCURJYURFK-ZDUSSCGKSA-N 400.375 1.647 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1O 2282508651 ZHHPEYGBJWZQFG-OUCADQQQSA-N 401.359 1.875 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282512356 SDJNACOWKDLZEO-WCQYABFASA-N 421.415 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@@](C)(O)C3)c2Cl)OC1(C)C 2282663236 MPMCDXWKOUEVOA-GTNSWQLSSA-N 401.721 1.659 30 10 HDEE COCC[C@H](N)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829250 BWLLELWCBNTDLG-JTQLQIEISA-N 424.781 1.343 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCC2(F)F)OC1(C)C 2282834099 PAYCLPQCKBMSKD-SNVBAGLBSA-N 408.301 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](CO)C3CC3)cc2Cl)OC1(C)C 2282840654 IIBCRBISKIIIQL-NSHDSACASA-N 421.777 1.998 30 10 HDEE C[C@@H]1CC[C@@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850945 VHFNITNROWQBBT-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE C[C@H]1CC[C@](CO)(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851417 BKAHWXPLGWWEBI-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CC1(C)[C@@H](CN)C[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854172 OGHVZXZBGVRXKC-YPMHNXCESA-N 400.375 1.699 30 10 HDEE CC(C)CN(CC(N)=O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282879447 UQBUQBCIOUQMDW-UHFFFAOYSA-N 402.347 1.179 30 10 HDEE CCSC[C@@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284374855 XLEATYJMQZJYGS-SNVBAGLBSA-N 400.331 1.687 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@H](C)C[C@@H]1C(=O)O 2284399675 NCBPSRTYQUZGFO-MWLCHTKSSA-N 401.315 1.592 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N(O)CCC(=O)O)OC1(C)C 2284412379 BVKGHPKMJIBQET-UHFFFAOYSA-N 405.665 1.494 30 10 HDEE C[C@@H]1CCN(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2290369931 INYUFCFGBCEBTB-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2329035228 LYIQDWFEFWXNEO-CQSZACIVSA-N 402.480 1.545 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1ccccc1C(=O)O 2331549044 NVRAKWFTWZLAIB-UHFFFAOYSA-N 405.480 1.965 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1CCOCC1 2365206945 KFNOJDLSIWNBGH-HNNXBMFYSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@H](CC)NC(=O)OC(C)(C)C 2365212125 QPNGRURAZFDKKD-CLCXKQKWSA-N 404.573 1.845 30 10 HDEE CN(C[C@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)C(=O)OC(C)(C)C 2367784933 CHVMJFHCVFGRHZ-KRWDZBQOSA-N 403.497 1.684 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367791603 JWZVDKLYEYXDRM-HZPDHXFCSA-N 400.541 1.462 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798451 ZPRBGMIVCCAOFU-KGLIPLIRSA-N 403.497 1.730 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCCCNC(=O)OC(C)(C)C 2367819393 SKAGCDUQXUJNAE-MAUKXSAKSA-N 402.557 1.601 30 10 HDEE Cn1nccc1C#C[C@@H](OCCCN)c1ncc(I)s1 2367854937 CLTHSOXRLOSKKY-LLVKDONJSA-N 402.261 1.939 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2375783032 YDKFYQUELRRGHU-KBXCAEBGSA-N 402.513 1.372 30 10 HDEE CCCn1c(=O)/c(=C/c2cccc(Cl)c2)s/c1=C(/C#N)C(=O)N1CCOCC1 3287909 IONQEWVWXGBXRY-XXNLHLTISA-N 417.918 1.335 30 10 HDEE C[C@@H](C(=O)NCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 8531307 VOOKCJDPTXBOPL-HNNXBMFYSA-N 418.544 1.631 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N(CC)CC)CC3)cc2C1=O 32463178 KHLLBSJXFJTUHO-UHFFFAOYSA-N 412.490 1.095 30 10 HDEE C#CCN(C(=O)c1ccccc1I)[C@@H]1CCS(=O)(=O)C1 48816787 KFEBCLVGWJRIEM-LLVKDONJSA-N 403.241 1.554 30 10 HDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ncccc2C#N)CC1 96993216 VNEUSLFLNYICHA-UHFFFAOYSA-N 404.474 1.839 30 10 HDEE C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 105283454 NQESRBMAIAHXRJ-INIZCTEOSA-N 405.458 1.806 30 10 HDEE CCCCCCCn1c(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)nc2ccccc21 256022179 LENMHLSEYMSDHU-ZRSRNVLSSA-N 410.536 1.899 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)cc2C1=O 448190960 RRIDIHXFGZGTGU-CQSZACIVSA-N 409.364 1.752 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 448533719 YGOCCEUGLOSRJI-SFHVURJKSA-N 424.549 1.741 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460949006 KRFRNEFJEMZVSX-KGLIPLIRSA-N 402.524 1.936 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1C 473567257 BATCUSKOCXBCFF-SFHVURJKSA-N 415.929 1.618 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1 479875829 RKOAQYCSVZWFMC-AWEZNQCLSA-N 419.482 1.920 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 480160061 KXXNBLQELXFSHV-HNNXBMFYSA-N 403.468 1.027 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481019642 GGSUNOIHENCFRY-OAHLLOKOSA-N 422.526 1.592 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@H]2COCCN2CC(F)F)CC1 491900231 DEEZDLRZFIWQHE-GOSISDBHSA-N 415.444 1.721 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 500512024 GHOOFUXTRBQFQB-UHFFFAOYSA-N 402.414 1.525 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(O)(CN3CCOCC3)CC2)CC1 501050025 CYHLBEROBUVEOO-OBXNSHGQSA-N 406.571 1.465 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 503082826 BAGIAYMTSUQUCI-LJQANCHMSA-N 410.492 1.847 30 10 HDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508461141 IYWSUAMCYPKHAH-UHFFFAOYSA-N 422.449 1.460 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNCc1cn(CCC#N)nc1-c1ccncc1 512973183 ZTBIXJCLNKVPFH-SFHVURJKSA-N 402.524 1.762 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CF)C(=O)OC 519563192 SPSMUCPFJCRIOU-NSHDSACASA-N 403.204 1.726 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(OCC(=O)OC)c3)cc2C1=O 522315486 BTRQFALJDFYOAO-UHFFFAOYSA-N 408.410 1.950 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3cccc(OC)c3)C2)CC1 524515177 JXCLGFFYGVYHAT-SFHVURJKSA-N 415.538 1.151 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](C(N)=O)c3ccccc32)CC1 537272567 DOOMRZFILKQIRP-PKOBYXMFSA-N 423.542 1.936 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 538273801 VEVMPHFFTYSPIV-CQSZACIVSA-N 403.508 1.324 30 10 HDEE Cc1cc(NC(=O)[C@H](C)SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)no1 544834620 JZSMDRITLZEVTO-AWEZNQCLSA-N 414.491 1.659 30 10 HDEE Cn1cc(-n2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)ccc2=O)cn1 546890717 WCKTXGHACDATIH-UHFFFAOYSA-N 416.485 1.859 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccnc12 546904672 COUJDGPGOHUAEV-UHFFFAOYSA-N 405.418 1.135 30 10 HDEE CCCNC(=O)CN1CCC(NC(=O)N(C)CCOCc2ccc(C#N)cc2)CC1 554696495 ZZYKTGUNZDCIPU-UHFFFAOYSA-N 415.538 1.707 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 557588224 PWSHKNCPIMVLLU-UHFFFAOYSA-N 400.508 1.066 30 10 HDEE C=CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 570141728 SPKGYVMISMCPRI-CYBMUJFWSA-N 402.494 1.490 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 583099918 CNMOULHQCSSOPT-AEFFLSMTSA-N 424.480 1.565 30 10 HDEE C=CCn1c(COc2ccccc2F)nnc1N1CCCN(CCOC)C(=O)C1 583409235 GKZQBZXLYRKUJD-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE N#CCN1CCC(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 588128854 OVZYDOVNYUJRAQ-KRWDZBQOSA-N 421.505 1.282 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609516763 MYMLPGVXUDEUSU-LSDHHAIUSA-N 403.439 1.485 30 10 HDEE CC(C)(CNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)S(C)(=O)=O 611891394 FJYZEAPXOCFPDF-UHFFFAOYSA-N 423.882 1.275 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670196913 DNCVZDFAKJUOLP-LPHOPBHVSA-N 412.542 1.244 30 10 HDEE C#CCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)[C@@H]1CCS(=O)(=O)C1 729331196 KQBFMTYMGQQQNV-MRXNPFEDSA-N 413.499 1.385 30 10 HDEE C#CCN(CCN1c2cccc3cccc(c23)S1(=O)=O)[C@@H]1CCS(=O)(=O)C1 731213611 HSMIARQZGSLRDA-MRXNPFEDSA-N 404.513 1.471 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 733202968 ZKQKRPTYOZGLPN-DOMZBBRYSA-N 422.532 1.449 30 10 HDEE CCc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cs1 748064481 TYIVWAXMGRRBMX-UHFFFAOYSA-N 403.529 1.447 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCC1CCN(CC(F)(F)F)CC1 748746989 ADTQXVUSNBHPJY-MSUUIHNZSA-N 402.417 1.684 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 753256739 YPVFCAVXRJCGAM-INIZCTEOSA-N 403.508 1.962 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 756095832 BNQQFMGTVRAEQF-BUHFOSPRSA-N 415.208 1.714 30 10 HDEE C#CCN(C(=O)N[C@H](Cc1nc(C)no1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 759871675 WEMRUJHHGFOUHC-IAGOWNOFSA-N 402.476 1.494 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 766483313 UVNLSYFQFXSQQM-MOPGFXCFSA-N 418.515 1.684 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)C2CCS(=O)(=O)CC2)C1=O 767531360 GUUAMWMDYLDKJD-INIZCTEOSA-N 423.557 1.069 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 773968766 HHOZQWZJRNDKEC-ZBFHGGJFSA-N 422.507 1.475 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCc2ccccn2)c1)[C@H]1CCS(=O)(=O)C1 774165860 WVCXRVUWHVMBIK-IBGZPJMESA-N 413.499 1.993 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(Cc2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 774245728 DMLOVGLXTQUSIO-GOEBONIOSA-N 402.476 1.553 30 10 HDEE C#CCN(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@@H]1CCS(=O)(=O)C1 774254386 SUJUVXUXNIMUJG-GFCCVEGCSA-N 406.291 1.599 30 10 HDEE Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 779892502 ZOXXHLPCZPLWPJ-UHFFFAOYSA-N 416.887 1.793 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 788998026 MVRXKVHFMXVBTI-MRXNPFEDSA-N 405.499 1.684 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2nnn(-c3ccc(C)cc3)c2C)n1 790107517 DVUPAWFKAKYIDW-UHFFFAOYSA-N 406.490 1.932 30 10 HDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 790742773 PHXOESIHVMJTTF-GFCCVEGCSA-N 405.509 1.115 30 10 HDEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@H]1COCCN1CC(F)F 798844363 WMBABWRSFYVEJT-HXUWFJFHSA-N 422.472 1.770 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1C#N 799847064 QNSBEPDKFNBYIE-KRWDZBQOSA-N 420.517 1.443 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 802379533 LNABOPWIGNNPRL-UHFFFAOYSA-N 420.477 1.588 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO2)CCN1C1CC1 802692942 NENCFWVYGLXJIN-SJORKVTESA-N 422.493 1.281 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1C#N 804960114 MKWIITPQTKDVRE-LLVKDONJSA-N 417.306 1.132 30 10 HDEE Cc1ccccc1[C@H](O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 806782119 VDKYMMPUFLHIJC-YDJIHCHBSA-N 412.490 1.976 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(CCC)cc3)C2)CC1 914445582 YREMLZZYHMXUNS-LJQANCHMSA-N 412.534 1.438 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C[C@H]1CCS(=O)(=O)C1 926572180 CEWNTPLKFMKGNT-HUUCEWRRSA-N 408.476 1.698 30 10 HDEE C=CCC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCC1 1125025555 HEUCWGQDAIYBGC-UHFFFAOYSA-N 406.552 1.786 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1125033040 VZLIMSNHBXUEPI-YJBOKZPZSA-N 400.435 1.487 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2nnnn2-c2ccccc2)cc1Br 1130895121 FYIBKOJQABDGCT-UHFFFAOYSA-N 413.235 1.992 30 10 HDEE C[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ncnn21 1131114178 WUCYNEBADLXPMG-DYVFJYSZSA-N 414.491 1.373 30 10 HDEE C#C[C@@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 1131258034 UTZVYLOEIALYNI-HXUWFJFHSA-N 420.531 1.835 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(C(=O)OCC)CCCOC3)cc2C1=O 1131632233 LYNLQFOWYKSZRE-OAQYLSRUSA-N 400.431 1.558 30 10 HDEE C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)S(=O)(=O)C1CCOCC1 1132356068 DHCHNBAZCITJIO-HNNXBMFYSA-N 406.504 1.662 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)CC3(C#N)CCOCC3)nn2)C1 1133300476 CBZBRVUVLBMIRZ-UHFFFAOYSA-N 404.471 1.397 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1=O 1135836371 KSDJKIUHWLRJNH-IBGZPJMESA-N 412.490 1.004 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1142423155 VWTVNMQRNKQOLK-DYESRHJHSA-N 410.474 1.667 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)cc1 1149162387 ZUJWTHFVEZXOJW-UHFFFAOYSA-N 407.536 1.966 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2c(Cl)cccc2Cl)CC1 1152967823 REXPVCBWDBMHCZ-GFCCVEGCSA-N 404.319 1.709 30 10 HDEE COc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c(C)c1OC 1155633349 JWIIUOLMIXAOCM-UHFFFAOYSA-N 419.459 1.810 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3F)CCCC2)CC1 1175514697 FBOLCVJPRSNHRM-UHFFFAOYSA-N 411.474 1.388 30 10 HDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCOCC1 1176185768 RRIIILZBYZRKSF-UHFFFAOYSA-N 409.490 1.789 30 10 HDEE Cc1cc2nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc(N(C)C)n2n1 1184023262 OIQQQSSWQBAXPJ-OAHLLOKOSA-N 403.446 1.967 30 10 HDEE C#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1227409939 FHEIXMNMXWCCMX-UHFFFAOYSA-N 402.432 1.354 30 10 HDEE CN1CCC(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)(c2ccccc2)CC1 1235560153 IEJHAWMLVJEZCT-RXVVDRJESA-N 416.547 1.230 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)Cc2ccccc21 1252916252 KVZJGYWEWPZHFH-UXHICEINSA-N 403.486 1.994 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1266191225 WZFANUAKETZDBJ-OAHLLOKOSA-N 413.503 1.422 30 10 HDEE C#CCN(c1nnc(CC)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286394995 QDDXJVOLYFNNKT-KRWDZBQOSA-N 421.567 1.306 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCNC(=O)c1cc[nH]n1 1286405825 LVNBTIDXNJDJHV-UHFFFAOYSA-N 401.474 1.733 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](F)COC)CC1 1286481616 HMHZXPQNBRATDV-QGZVFWFLSA-N 411.485 1.256 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286483418 KDVUVVCNAXTDRK-UHFFFAOYSA-N 420.561 1.930 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286509168 WCHADFZIDRDFGK-DLBZAZTESA-N 403.552 1.772 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1286786010 MJKAHAUYRANJGP-ROUUACIJSA-N 423.521 1.612 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)[C@H]1CC 1286792270 SLUDMDCGNKHVGW-MRXNPFEDSA-N 416.457 1.013 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286823657 XKPMZFVLXHYLKB-QGZVFWFLSA-N 408.568 1.963 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)no1 1289386593 HAFPHWCXSBWGLB-UHFFFAOYSA-N 407.478 1.930 30 10 HDEE Cn1cc(C(N)=O)c(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1295114605 LGLFBXXVWBFQKQ-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)C1 1296518313 AWWCNPPLYLXQFX-XNJJOIOASA-N 417.307 1.869 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1300370840 FKXKINHOEKCOBC-UHFFFAOYSA-N 407.540 1.217 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCN(C)C1 1300570208 ZNUHMIRUVSYSLU-QHCPKHFHSA-N 421.501 1.246 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC(F)(F)CO2)CC1 1300683395 NNZLDTSCTVSTTK-CVEARBPZSA-N 413.469 1.182 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1300710946 QQBFRPHABFKAJP-MUGJNUQGSA-N 417.554 1.572 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1300740834 FQGNDURDYSGZPU-UHFFFAOYSA-N 404.584 1.478 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1300855573 GPPPRDCWVADURL-JCGIZDLHSA-N 412.494 1.568 30 10 HDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1301044181 GHYHVGFZIAFKFW-OAHLLOKOSA-N 410.883 1.778 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2cc(CO)nn2)CC1 1301096779 DYRYWQIBBNGALD-WMZOPIPTSA-N 417.514 1.333 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)COc2ccccc2O1 1301396458 ZSPNPTMMVOHALJ-VBKZILBWSA-N 415.471 1.571 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCOC2)C1 1301567362 VXSWGXCTAMEWAC-LPHOPBHVSA-N 405.524 1.567 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC(=O)N(C)C)C1 1301567853 MEDCUYSECRBONN-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301578360 YGNBIJUNWBGREM-HZPDHXFCSA-N 421.523 1.181 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)C1 1302982805 QEDWYXSZDIPNNM-BFUOFWGJSA-N 402.405 1.717 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1303190096 VPGPEAJCKMIHSJ-OAHLLOKOSA-N 420.477 1.941 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)CC(F)(F)F 1303635372 FCTXCESBOTYCOV-QWHCGFSZSA-N 401.437 1.852 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1303815167 HKAIHKGMGOXWJJ-KGLIPLIRSA-N 422.511 1.264 30 10 HDEE Cn1ccnc1C1(O)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1308047079 GCOLUQCOTXZSAV-UHFFFAOYSA-N 405.462 1.400 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1313681852 YWJSDOSWRJWCAU-MOPGFXCFSA-N 423.521 1.852 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1314682665 VNKWMNSQEQMVTJ-MSOLQXFVSA-N 413.503 1.785 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1315064984 LNLOJSSQIDXTRW-HOTGVXAUSA-N 400.508 1.601 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1315496488 AOQDQRYQPIEKJZ-HZPDHXFCSA-N 412.450 1.023 30 10 HDEE COc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315539562 CSGIQNCLFOELKC-IRXDYDNUSA-N 412.450 1.046 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1352022395 YJUYIMRFUPIPDQ-INIZCTEOSA-N 413.474 1.568 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1355998234 RHJJBBLQJJIGKL-IBGZPJMESA-N 402.495 1.158 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358961932 HIFCNPYCENPWDB-FXAWDEMLSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1358964351 XRJWWAMMLTXFIH-QZTJIDSGSA-N 424.567 1.352 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358966943 ABQAURXXMIZYFI-GVDBMIGSSA-N 408.524 1.183 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(C)c1 1359019174 MILIBGAQBOWQPY-CQSZACIVSA-N 411.553 1.393 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359126370 NPPUNNYZGVYXOC-HXUWFJFHSA-N 404.515 1.069 30 10 HDEE C=CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359346570 OPHVDEMOUCCIQY-PMACEKPBSA-N 423.583 1.940 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1361161927 CKRRPEXEEAHUIB-SFHVURJKSA-N 424.505 1.729 30 10 HDEE C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1452948610 YESYDXUQSIZZCS-WBAXXEDZSA-N 405.495 1.914 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](O)C(F)(F)C1 1453034409 IELGQRFZPGVHDZ-OAHLLOKOSA-N 415.462 1.514 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@H]4NC(=O)NC4=O)cc3)CC2=O)cc1 1454159378 LMIBXJQWPUSOIQ-RDTXWAMCSA-N 403.398 1.430 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)C3(C#N)CCSCC3)C2)nn1 1455182505 GJRYLXYKEANNID-UHFFFAOYSA-N 406.512 1.723 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1OC 1456061923 MGSJAFDANNPHBK-KRWDZBQOSA-N 423.473 1.803 30 10 HDEE C=CCN(C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1)[C@H]1CCS(=O)(=O)C1 1456085088 KMFWNQUPIPUOPZ-IRXDYDNUSA-N 400.504 1.709 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 1460612431 UYYHEVUGTVJAMP-MRXNPFEDSA-N 400.870 1.778 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)nn1 1461058925 PONMBGBCFNXZJR-LBPRGKRZSA-N 415.928 1.649 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1461816608 SZQJDCDIEXUCTM-HNNXBMFYSA-N 422.503 1.210 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2cc(F)c(F)cc2O1 1462948266 MVEQCRTWLNPSFO-SNVBAGLBSA-N 407.398 1.817 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C#N)CCc2ccccc2)CC1 1464940432 STRWELIFAWWCEI-UYAOXDASSA-N 400.523 1.444 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)C1 1469535809 SUSZFQFLUVGVQI-RTWAWAEBSA-N 422.485 1.883 30 10 HDEE C#CCOc1ccc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1 1470184200 FKICFDQCBQAZRR-OAQYLSRUSA-N 404.463 1.427 30 10 HDEE CN1CCOC[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1471077332 KMOBFPOTWIVVGS-INIZCTEOSA-N 415.473 1.028 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1471083526 PKTCMGLHQPJCMA-PKTZIBPZSA-N 404.470 1.872 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2[C@H](C(=O)OCC)[C@H]3CC[C@@H]2C3)s1 1472448721 UODRIJWQPOJLEJ-AHIWAGSCSA-N 412.533 1.698 30 10 HDEE N#Cc1ccc(Br)cc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1472740135 ZCDMWOLXWBTBAR-HNNXBMFYSA-N 414.325 1.952 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(Br)cc3F)C2)c(=O)nc1O 1479524747 XYLHXUGSIUMWDK-UHFFFAOYSA-N 422.214 1.489 30 10 HDEE Cc1noc(C)c1[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1492985025 BZAMWFPLFMLKON-WFASDCNBSA-N 401.471 1.554 30 10 HDEE C[C@@H]1C[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCO1 1493324877 APXUOHYKLMJFPN-HYVNUMGLSA-N 407.540 1.735 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1507531863 ALQIKLRHIYQKRS-FUHWJXTLSA-N 410.522 1.676 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507595502 QUFJCRGSTCNLOO-KRWDZBQOSA-N 424.505 1.835 30 10 HDEE C#CCCCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1507598144 BZKKLPYGYUMVEQ-VQTJNVASSA-N 422.551 1.359 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CC1(C(N)=O)CCOCC1 1507620556 IFQSZRKHVVPNIJ-UHFFFAOYSA-N 406.490 1.633 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507641628 BPUPTFWXMJCBOY-JQVVWYNYSA-N 416.522 1.803 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCCCO1 1507644291 GLGNUIDFDLXSLM-HXUWFJFHSA-N 416.489 1.953 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1507665654 QWWOWPNLPYWYMD-HXUWFJFHSA-N 409.538 1.378 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1507677892 OASFDMFNQHWWMM-NDEPHWFRSA-N 402.524 1.932 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC(F)(F)C1 1507703365 VOWTUYKFKVAOPZ-UONOGXRCSA-N 419.498 1.410 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCCCO)CC1 1507732359 LOQOGZIWGSOGBD-UHFFFAOYSA-N 401.486 1.914 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507795368 HYBHBVXFXCHHIR-RLLQIKCJSA-N 416.570 1.701 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](C)C1 1507805911 LMRCIFNLVZGJRW-QKLQHJQFSA-N 403.527 1.997 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507833392 PACJWMXDYSIKHT-CQSZACIVSA-N 415.523 1.402 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507960794 SULPNHDSPSCCQS-UHFFFAOYSA-N 420.539 1.405 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(CC)C1 1508089521 XVVOJEXTVRRHOU-FQEVSTJZSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1508098050 NDIRTIHWOUAROK-HXUWFJFHSA-N 402.499 1.362 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cn1 1509825634 FSVDAQLSGYXAGG-JKSUJKDBSA-N 411.466 1.188 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCCO1 1512418593 GMEMRLYXOMMOQY-NVXWUHKLSA-N 415.519 1.867 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1513167059 DIKYZGKDZDTCOX-KUHUBIRLSA-N 405.478 1.261 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC#N)CC1 1519605515 CBBPXMIGAYGJAO-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCNc2ccccn2)C1 1521069242 GSESSFWEMQWDGY-FQEVSTJZSA-N 412.473 1.740 30 10 HDEE CC(C)(C)OC(=O)C1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1530006661 IDUAIBFENGCQJT-MRXNPFEDSA-N 413.474 1.918 30 10 HDEE Cc1c(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cnn1CCC#N 1530886020 PTBMIBLIVZHTDU-UHFFFAOYSA-N 400.527 1.560 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCC1 1531614112 GKTICKUWHLSDRH-LHIBYTEYSA-N 403.523 1.426 30 10 HDEE C=CCC1(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1531779610 VPZZLZWHJZAWLI-UHFFFAOYSA-N 422.547 1.882 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1ccccc1Cl 1538308805 UZJSLGGDQLPVKL-SJCJKPOMSA-N 405.867 1.240 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)cc1 1538844502 QMXMGQDMKLXRGL-IBGZPJMESA-N 407.492 1.237 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCOC 1539004566 MCTYDTXJDMFEAY-HNNXBMFYSA-N 409.494 1.630 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539125495 NAMACJYSGBDYAD-HZPDHXFCSA-N 423.539 1.309 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1539154026 DWIYKUKJZWPGDV-IBGZPJMESA-N 406.508 1.206 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1CCCO 1539273498 VCESDPKMKOIZEI-FQEVSTJZSA-N 409.538 1.059 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccccc2)CC1 1539428311 PWBLSFIZOJMGIW-GOSISDBHSA-N 410.522 1.639 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCCCO)CC1 1539454160 YWXTTZKKGIXNMI-UHFFFAOYSA-N 421.549 1.825 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NCCC)CC1 1539454703 YNCBILVJKNTZLI-UHFFFAOYSA-N 419.533 1.632 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1539751524 OSHAMCRDDQBLNX-INIZCTEOSA-N 405.499 1.844 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540034262 ZAMUFFQSDIACOA-WWMYMODYSA-N 419.526 1.596 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)CCCC2)cc1 1540490733 WSHHEKUTLKPFGJ-IBGZPJMESA-N 401.532 1.701 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@H]21 1540865162 WZFFSJDJQPMFMZ-DOTOQJQBSA-N 415.519 1.640 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCOC[C@H](C2CCC2)C1 1540869987 BTXVWWRLGQDQKR-ZWKOTPCHSA-N 403.527 1.727 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1541698421 KOAHDMFDMDUVND-AEFFLSMTSA-N 421.505 1.304 30 10 HDEE CC[C@H](C)[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)C(=O)NCCN1CCOCC1 1542881320 FHAKIMRQFXQRJP-RVENKWQOSA-N 419.497 1.387 30 10 HDEE CCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1547716382 BDJCOWIPHZDIGH-FZFLATATSA-N 413.526 1.287 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)coc2C)CCOC1 1547919391 NNPDVXQFZWVTMH-OXQOHEQNSA-N 401.467 1.917 30 10 HDEE CN(CCC(F)F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554255050 LQDSRODNVSARJH-JTFSYWPOSA-N 410.425 1.400 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1555071296 WYGBBFNIUOCPJN-IBGZPJMESA-N 411.445 1.396 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1556093013 YDDVMXZQLUWEMO-HVEKOLDVSA-N 413.540 1.666 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1556782532 KIZCPZDLQOTJFE-LBPRGKRZSA-N 405.270 1.353 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1C#N 1556842854 SXSFLBXPAKCENO-LBPRGKRZSA-N 415.441 1.773 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)c2cccc(C(F)(F)F)c2)CC1 1558072847 GJYFUFIPPAHAHU-OWBHPGMISA-N 415.437 1.721 30 10 HDEE C#CCNC(=O)CN1CCN(c2ncnc(C(F)(F)F)c2Br)CC1 1559203789 GLLFGRUVISPMRV-UHFFFAOYSA-N 406.206 1.129 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3nc(F)c(F)cc3F)CC2)c1 1559745295 MKAYTQOSDFFBIS-UHFFFAOYSA-N 417.391 1.951 30 10 HDEE CN(CCN(C)S(=O)(=O)Cc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1561602006 FMSRWIRTHBJOKF-UHFFFAOYSA-N 422.532 1.104 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 1562370625 OFGAUIXRHUMMHS-GOSISDBHSA-N 405.520 1.858 30 10 HDEE CC#CCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1564588705 KLWFFTIWLGRSNG-UHFFFAOYSA-N 407.515 1.400 30 10 HDEE Cn1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(O)nc1=O 1565493914 TXHRJNVEHQLGMS-UHFFFAOYSA-N 402.842 1.043 30 10 HDEE C=CCNC(=O)CNC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1566895053 ZJWBQFDSRWEUDM-MRXNPFEDSA-N 416.478 1.497 30 10 HDEE C#CC1CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)CC1 1570659566 QHRHKDBIVSECSY-UHFFFAOYSA-N 414.531 1.941 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CCO1 1585426480 YOJWYCCVODNRCG-YADHBBJMSA-N 406.442 1.748 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)C1 1586957985 CFGWFIIDDCKHJS-ZDUSSCGKSA-N 424.548 1.525 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587835247 QMUMWRKXSIYUSH-UHFFFAOYSA-N 419.533 1.877 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1587898742 VZFIXPZKTGDDPI-UHFFFAOYSA-N 402.543 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1Cc1cn(C2COC2)nn1 1588105425 XRCNVTQZHQIKGZ-UHFFFAOYSA-N 401.474 1.791 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCC(=O)N1 1588214823 ZVNCZLJJGCASJP-LJQANCHMSA-N 413.485 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1588242029 ZZCUUVUZSFAYPD-UHFFFAOYSA-N 424.530 1.362 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@@H](n3nncc3I)C2)nn1 1588403827 NKYZFBFQIUQOHP-SNVBAGLBSA-N 413.223 1.138 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CCC)C1 1588560570 SQNYTJRGVOMPPO-GOSISDBHSA-N 402.543 1.332 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1sc(C)nc1C 1588560862 WYUJUSDMFJHRBM-UHFFFAOYSA-N 416.551 1.916 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2CCN(C3CC3)CC2)n1 1588723985 RWBOFBBAHBWCTI-UHFFFAOYSA-N 411.554 1.944 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2F)CC1 1588733094 MWDQIRWIVOLAOA-UHFFFAOYSA-N 402.449 1.498 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594650939 DFBWPRXTOGHLFH-KRWDZBQOSA-N 404.515 1.938 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1594949249 VAXZPYSUJUFZCU-OLZOCXBDSA-N 402.421 1.115 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1595555799 HNBQCGCZQIUZDR-HNNXBMFYSA-N 401.442 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1595766505 RBBAVYSVWUTZOY-AWEZNQCLSA-N 410.569 1.527 30 10 HDEE CC(C)Cc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1603596395 KIPSSFQFZKCULX-HNNXBMFYSA-N 420.539 1.755 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@](C)(Cn3cccn3)C(=O)OC)n[nH]2)c1C 1603597432 VOHHSFJMBCCSFU-FQEVSTJZSA-N 411.466 1.634 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC#C[C@H]2CCCCO2)C1=O 1606801502 LZUNBWJTTSQBJI-JLTOFOAXSA-N 421.856 1.935 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1C 1611156585 AAOXIWYNEYGZBJ-BETUJISGSA-N 417.491 1.650 30 10 HDEE CC[C@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1614164580 REONREQICWULPF-STGLLQLASA-N 408.466 1.640 30 10 HDEE C=C(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@@](C)(O)C(=O)C=C[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]21 1614586023 COWWBPRRBQOULA-BLWZCKGJSA-N 406.431 1.420 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3cncc(C#N)c3)C2)CC1 1616151207 FCXCCIKLUKDMQD-UHFFFAOYSA-N 421.523 1.020 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1 1622301344 OGWDAEJJGSHKAK-WMZOPIPTSA-N 404.492 1.535 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CCCCn3cnc4c(N)ncnc43)CC2)cc1 1624004693 SVQQZGKXFWTWGT-UHFFFAOYSA-N 418.505 1.795 30 10 HDEE C=CCC[C@H](NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)OCC 1624302865 ANJKFWOZZRPGCW-GVDBMIGSSA-N 408.495 1.983 30 10 HDEE CCn1ncc(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484908 FDDFWGOIWSIFQE-UHFFFAOYSA-N 407.883 1.575 30 10 HDEE N#Cc1cn(CCNC(=O)CN(Cc2ccccc2)c2ccccc2)c(=O)nc1O 1630030441 IEURCUCZTURUTQ-UHFFFAOYSA-N 403.442 1.644 30 10 HDEE C=CCc1cc(CNC(=O)NCCCn2ccc(O)nc2=O)cc(OC)c1OC 1630469322 RQHXMCZYMNZLER-UHFFFAOYSA-N 402.451 1.584 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCC(=O)OC)C[C@H]3C)n[nH]2)c1C 1631772598 NIHGVCZYICBVNY-CQSZACIVSA-N 414.510 1.785 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1633058499 AQQCGWRFFGNHJO-GJZGRUSLSA-N 424.494 1.753 30 10 HDEE CS(=O)(=O)C1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1634588486 KNXDCCDPIOHVCL-ABHNRTSZSA-N 403.504 1.379 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)OC)c1cc[nH]n1 1635295656 RPRICCGCRXTXKT-SUMWQHHRSA-N 416.434 1.360 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 1636873585 VDJFXBBUKKYFLM-UHFFFAOYSA-N 408.499 1.744 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CC4(CCC4)CO3)CC2)cc1 1638478402 AHSYRRKINBUHKO-KRWDZBQOSA-N 418.519 1.533 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCCN(O)C2=O)c1 1641520514 AQLXXNUYMURZJN-CYBMUJFWSA-N 403.888 1.527 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1643300877 WITZIYMINJXEOW-IBGZPJMESA-N 407.536 1.004 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1n[nH]c(C2CC2)c1Br 1643403106 GETNTKBSCAXDAQ-UHFFFAOYSA-N 406.244 1.733 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CCC2)cc1 1643797336 BMXKTVCXOYLGQU-SFHVURJKSA-N 408.433 1.867 30 10 HDEE C=CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H](C)COC 1643800057 XVIFRUIBPYAROD-MRXNPFEDSA-N 409.552 1.739 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1644942664 FBNFSNWZFNFLBH-BRWVUGGUSA-N 412.552 1.026 30 10 HDEE COCC(=O)NCCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125405 FFUWORRKXILMGE-OCAPTIKFSA-N 412.277 1.769 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccn2)CC1 1652331809 IKJHKOOYMCLSBU-IBGZPJMESA-N 405.506 1.817 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 1654489890 VRGWGPIOQPMICR-ZLNJBMMPSA-N 418.538 1.520 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1660786356 IHIYBPARHKAWLL-OAHLLOKOSA-N 420.514 1.982 30 10 HDEE CN1C(=O)NCC12CCN(S(=O)(=O)c1cc(Br)cc(C#N)c1)CC2 1664597616 BLCGPAOYNRBCII-UHFFFAOYSA-N 413.297 1.499 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1667480155 CEFKIEDGQLWYNY-IBGZPJMESA-N 418.563 1.758 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)C1CCOCC1 1668514915 VPPUOHFPPGINDM-QGZVFWFLSA-N 401.463 1.718 30 10 HDEE C#CCC1(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CCCCC1 1669431056 MLLUPWJERUBVTI-UHFFFAOYSA-N 407.540 1.599 30 10 HDEE N#C[C@]12CN(C(=O)NCCCCC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1680005501 VFMHBZQQKHKWIJ-FXAWDEMLSA-N 419.503 1.480 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)nn1 1683483340 VWPIUPTXNWBVSL-IBGZPJMESA-N 409.494 1.097 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1689825799 CXKDMIAUNNPXPR-OCCSQVGLSA-N 408.528 1.643 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1689877458 ZHEHGERMGWQUPC-AWEZNQCLSA-N 418.514 1.079 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NCC)CC1 1689922050 AHIQHMUEWZVBCN-UHFFFAOYSA-N 410.478 1.939 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689938458 MGLFHCWAARRUJC-IBGZPJMESA-N 415.469 1.751 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCCn1cnnn1 1690089497 CGNNRTPMJTXOSJ-UHFFFAOYSA-N 418.440 1.591 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1690104196 PDMKSKSPNBFODX-KRWDZBQOSA-N 403.527 1.517 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690231621 IQQAMFCJRBGTOC-CABCVRRESA-N 423.359 1.982 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690249567 ZGVQNUUYBFESEC-LMMKCTJWSA-N 423.583 1.826 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1690519912 BRILCQSKRJXTQF-UHFFFAOYSA-N 407.482 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)CC 1690668924 OAZSPKROGGNMFK-UHFFFAOYSA-N 409.494 1.994 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690672837 FQVFOEDUNYWPRE-AWEZNQCLSA-N 416.913 1.491 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1698171626 RPBXLDKQZVYPNN-SJORKVTESA-N 420.514 1.133 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1698223105 JCRGXFQDFJVAHS-INIZCTEOSA-N 412.494 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCC(F)(F)F 1698227793 MNXOOWKZHKCXTA-DYEKYZERSA-N 418.420 1.419 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705550861 ZMNDKRPCHMIPFE-UHFFFAOYSA-N 416.489 1.153 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)OC)c1 1705579197 HVGWFZCKWKMKGI-UHFFFAOYSA-N 403.446 1.978 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)CC)CC1 1705636634 RPGJFPYCKWOEHD-UHFFFAOYSA-N 417.535 1.144 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705674123 AHVSZFMIHARSEV-JTDSTZFVSA-N 407.540 1.056 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705717620 NVFFACVNPCBKSQ-SJORKVTESA-N 411.572 1.856 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCCC2)CC1 1705775680 JEVKLGRWKVUKMO-UHFFFAOYSA-N 400.527 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@](C)(OC)C1 1705898879 AKMPMKMAYAZKLX-OAQYLSRUSA-N 413.478 1.981 30 10 HDEE CCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1708884537 HKBXZYWNWWOKKZ-INIZCTEOSA-N 422.555 1.541 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2COCCO2)cc1OC 1711731931 AVYNRWUUMNHVJF-GOEBONIOSA-N 401.467 1.974 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1712473316 TYCSWNXQQVSNEF-QMTMVMCOSA-N 406.462 1.066 30 10 HDEE CS(=O)(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1712698151 AXJWPPJPBUFIRK-INIZCTEOSA-N 423.470 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](COC)OC 1722284819 POWRIUAMZJDBGI-YOEHRIQHSA-N 419.913 1.981 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722397183 HGATXDDWCXLEDP-FQEVSTJZSA-N 410.566 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1 1722398200 RTWLODOBIHQAMU-FQEVSTJZSA-N 418.501 1.893 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1722447458 LNKDHEQWHHUREQ-OAHLLOKOSA-N 418.542 1.720 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1722498433 ADMZAIJEXJBNIP-WDYCEAGBSA-N 419.526 1.582 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1722510299 SSOOJNVMKFICTC-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722527692 QXYBRHZLQFHKEX-OXQOHEQNSA-N 407.515 1.393 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1722534478 PUPOPQIZISVGGV-INIZCTEOSA-N 409.494 1.421 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1722863284 JCROOCRSRANHJD-YSGRDPCXSA-N 404.515 1.393 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1740621988 RMKGVBYFVKZCAM-OAHLLOKOSA-N 422.580 1.447 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740624182 DGMZVZKGTGTCQN-HXUWFJFHSA-N 421.526 1.939 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2nnc(CC)s2)CC1 1740695292 LXVCCCHPSLYUBX-UHFFFAOYSA-N 408.535 1.866 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2snnc2C)CC1 1740696999 NVXBMZIUGSKVAC-UHFFFAOYSA-N 411.510 1.971 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@]1(OCC)CCOC1 1740722437 JEZMXQLXARNRJG-APZTZJSISA-N 420.579 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1740762825 WBJSFKZNOJXMQS-KSZLIROESA-N 419.551 1.901 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740786620 JPVQZYLCRPLFSV-QGZVFWFLSA-N 401.515 1.186 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1740896945 OFRIFQVNKBEOOB-GOSISDBHSA-N 422.580 1.728 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1741073809 HBYBKQHLJVGBBC-UXHICEINSA-N 424.505 1.727 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)O1 1744205041 UIWZDKMEXZNOFD-GQIGUUNPSA-N 402.499 1.591 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)C(C)(C)C)CC1 1748991392 VUBGYHUIBIUZNA-KRWDZBQOSA-N 423.583 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC=CO2)CC1 1749008567 CXBJAEVFPBQEKL-QGZVFWFLSA-N 407.478 1.394 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1749484436 ACBZNWNBDJFMLK-IBGZPJMESA-N 410.522 1.732 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC(=O)N1CCOCC1 1749592370 JHMUMIHKMHQBMQ-UHFFFAOYSA-N 415.494 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](OCC(C)C)C1 1749740318 CLIFCNJYAFPWJS-IAGOWNOFSA-N 412.556 1.982 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1752270685 FLFOIPKYQYFSKO-HNNXBMFYSA-N 404.478 1.460 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760123981 DPBXOVIAPRFPGK-BSDSXHPESA-N 421.567 1.792 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1760126858 KWMDOUFCVRWSKF-WMLDXEAASA-N 403.508 1.478 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC[C@H]1OC 1760196835 MGZIPFZTGIISRU-IEBWSBKVSA-N 409.446 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)CN(C)C 1760208856 LEHDSGHWVHBJIF-UHFFFAOYSA-N 407.522 1.976 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1760248880 RYVVOQNSZCTFIH-SPEDKVCISA-N 416.570 1.826 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1760260425 ROJHFQFTNKRQLX-UHFFFAOYSA-N 406.534 1.959 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760355365 HIOQAYPCQRLGIE-HNNXBMFYSA-N 403.487 1.548 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2)CC1 1760521391 RFCOXYFLADYDOD-SFHVURJKSA-N 423.521 1.166 30 10 HDEE CC[C@]1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762455139 AUSLNLRRAIWEGI-XQLMRJDBSA-N 414.510 1.935 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCOC[C@@H]1OC 1769843241 CJYKDKFPHFVWOD-RDJZCZTQSA-N 403.487 1.097 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)COCCO1 1770201916 HHUNNHZBWRKIBU-LNMJFAINSA-N 409.462 1.250 30 10 HDEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1770597133 LHOFVBFTOVHIQK-XJKSGUPXSA-N 400.574 1.771 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCOC2)CCO1 1770751744 LZRHBNBVAJXSIK-CABCVRRESA-N 416.507 1.425 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CC2)C1 1771529770 UOCVCXNKJXFWPN-QAPCUYQASA-N 411.503 1.439 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1771544622 UTOQHZHNLQQHQA-DLBZAZTESA-N 402.499 1.070 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(O)[C@H](O)C[C@@]21C 1848439839 QARLZCYMQMQPNT-LDDHNZGVSA-N 420.502 1.467 30 10 HDEE C[C@@H](C(=O)NCC#CCN1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1851192756 FMIHTHRSOOCKKV-AWEZNQCLSA-N 417.453 1.868 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)c(C#N)cc2C#N)CC1 1851470735 UDSOLVNWTMOWOZ-QGZVFWFLSA-N 421.505 1.306 30 10 HDEE C[C@@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1Cc2ccccc2C1=O 1851535721 CJBQOUHDEWPOJT-JTQLQIEISA-N 403.382 1.901 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)c(C#N)c(C)[nH]1 1851589196 NYUIIXDTGLAMET-AWEZNQCLSA-N 413.865 1.770 30 10 HDEE Cc1nn2c(c1C(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)OC[C@H](C)C2 1851821082 VLSYUPYDVYQCLO-OAHLLOKOSA-N 410.478 1.466 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N(C)CC(=O)N2CCN(C)CC2)c2ccccc21 1851855654 ZPQFVHUWESRMQF-UHFFFAOYSA-N 413.522 1.306 30 10 HDEE C=CCN(C(=O)c1cc(Br)cnc1N1CCOCC1)[C@@H]1CCN(C)C1=O 1852091038 BHWSSXHGFYQEFW-OAHLLOKOSA-N 423.311 1.540 30 10 HDEE N#Cc1ccc(-c2ccccc2)nc1C(=O)N1CCN(CCn2ncccc2=O)CC1 1852367845 DYLDHFVFJJNXEU-UHFFFAOYSA-N 414.469 1.635 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)C(C)(C)C)c(C)c1 1853576568 CCSRHEGPPXSVCE-UHFFFAOYSA-N 411.524 1.817 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cn3cccn3)C(=O)C23CCCC3)cc1 1853616943 CNMWSDJXFLJRAO-UHFFFAOYSA-N 407.474 1.817 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc3ncccc23)C1=O 1853804151 CFELRSSQDASIIN-RTBURBONSA-N 407.474 1.480 30 10 HDEE Cc1ccccc1OCC(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1853848080 BPAZLVXFVFWGLR-MRXNPFEDSA-N 402.428 1.793 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn(C(F)F)c2)C1=O 1854082408 PNHJDEYLPYGUPT-HUUCEWRRSA-N 409.437 1.518 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)C1 1854622007 KTZPJQYXALIVNX-HNNXBMFYSA-N 401.463 1.304 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)[C@@H]2CCCS2)C1=O 1854880989 MSBZILCZJVHFEG-SJORKVTESA-N 414.535 1.272 30 10 HDEE N#Cc1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1 1855421194 PKXYNLCJKXOLEX-INIZCTEOSA-N 400.412 1.655 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1855438145 WEWJBRIYZIFDPU-SFHVURJKSA-N 407.474 1.516 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1855596696 OGSFSMJQYJFBGP-KRWDZBQOSA-N 423.579 1.608 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 1856210458 WYUUXIVERWRZDR-LJQANCHMSA-N 408.502 1.420 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CC3CC(F)(F)C3)C(=O)O2)CC1 1856597848 VYHZKKZPYVKSKJ-ZDUSSCGKSA-N 405.423 1.335 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCOC3)C2)CC1 1857382197 ZSLPQNFSUQVDHR-IEBWSBKVSA-N 411.506 1.267 30 10 HDEE COCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC(CC#N)CC3)ccc21 1857464470 VMXPYBCCYDYYMQ-UHFFFAOYSA-N 405.476 1.453 30 10 HDEE COc1cccc(-c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)C3)cc2)c1 1857508122 NIFCBKPOTQMOQJ-UHFFFAOYSA-N 413.455 1.635 30 10 HDEE Cc1cc(C#N)nc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)n1 1857969331 JGDXWRMMZRIWLD-UHFFFAOYSA-N 418.457 1.382 30 10 HDEE C=CCN(CC=C)C(=O)c1cn(CCc2ccc(S(N)(=O)=O)cc2)c(=O)cc1O 1870122609 BCWDAXDIHKDXEO-UHFFFAOYSA-N 417.487 1.258 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCOCC 1870520656 HMNDXIIBFCPFAJ-UHFFFAOYSA-N 421.538 1.590 30 10 HDEE C#CCOc1cn(CCCOCC)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870559763 QBTJCVQXDCGYRW-UHFFFAOYSA-N 405.495 1.561 30 10 HDEE C=CCn1nc(C(=O)N2CCC(C(N)=O)CC2)c(I)c1C 1871339362 MKBMPTWQFQDZII-UHFFFAOYSA-N 402.236 1.320 30 10 HDEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ccn1 1889328822 RYLCQIIKLDFREN-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC[C@@H](Oc3cc(C#N)ccn3)C1)CS2 1889358535 KTBFIISXUDJSBJ-HZPDHXFCSA-N 411.487 1.844 30 10 HDEE C#CCOCCONC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1984747627 WNBFFIWUPWHMMF-KRWDZBQOSA-N 420.462 1.711 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1986062902 VQPGJHLRIQJFNQ-ZDUSSCGKSA-N 404.276 1.794 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1c(Br)nnn1C 2020330762 ZBHIIISKXPCLLD-UHFFFAOYSA-N 424.321 1.327 30 10 HDEE C=C(CNC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)B1OC(C)(C)C(C)(C)O1 2020860599 QKORJAXWOKNUFM-UHFFFAOYSA-N 421.307 1.720 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#N)n1 2066421860 SNPVRTBUDYVPID-SFHVURJKSA-N 402.407 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(CNS(=O)(=O)CC2(C#N)CCC2)CC1 2188279223 GNNDCRWYBLIAMP-UHFFFAOYSA-N 401.529 1.609 30 10 HDEE Cc1nc(NS(=O)(=O)N2CCC(C#N)CC2)ncc1I 2189862328 VLDHIKVACIYZRU-UHFFFAOYSA-N 407.237 1.282 30 10 HDEE CCOC(=O)CS(=O)(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202297712 ANUJFEVQEQWZSF-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2242812944 NXBARCJWOANGLA-MELADBBJSA-N 412.292 1.137 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2243329168 YSQRJHXELSUPDT-UHFFFAOYSA-N 405.304 1.457 30 10 HDEE C[C@H](NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2247779589 WMTCNDKLYKYNCE-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247826736 ZBMIIGDGUBATPJ-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE C[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2247916619 BCAQJLWUHSQSQV-ZDUSSCGKSA-N 422.335 1.942 30 10 HDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)nn1 2248405045 ONXGLVBNLORLJQ-CQSZACIVSA-N 419.291 1.132 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2250272852 PTGQJLNCGJXHSA-QWHCGFSZSA-N 420.319 1.742 30 10 HDEE C#CCN(CCO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703445 WHESNLDLJYZLQN-UHFFFAOYSA-N 405.734 1.317 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282028713 IJQDGNMWJUJWEV-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE COC1(OC)CC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333036 JRRJSIQRJPYLQE-LBPRGKRZSA-N 403.331 1.477 30 10 HDEE CO[C@H]1C[C@H](CF)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343918 IMDBBHDRVGNLML-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE C[C@H]1[C@H](O)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495290 KJDPBPNMNAAWDP-SMDDNHRTSA-N 401.721 1.783 30 10 HDEE CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282503325 YLBXZZLIFGSTNC-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](F)C[C@@H]2CN)OC1(C)C 2282506703 WJLQTKQDBONWRQ-QWHCGFSZSA-N 404.338 1.248 30 10 HDEE CC1(C)C[C@H](O)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282511141 KEOPYOSPHXOMQA-NSHDSACASA-N 402.347 1.117 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCNC[C@@H]3CO)sc2Cl)OC1(C)C 2282618759 OFDUARHKGJVJEH-ZYHUDNBSSA-N 400.737 1.401 30 10 HDEE C[C@H]1OCC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834952 OFHXBAOBGREPGD-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@]3(C)CO)s2)OC1(C)C 2282855513 FUGUPDCUCLOODQ-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H]1C(=O)O 2284395937 RCLREKLJRVLNKX-QWRGUYRKSA-N 401.315 1.497 30 10 HDEE CC[C@H]1C[C@]1(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400379 ABXGVAKFIAWWAE-MGPLVRAMSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCC(=O)O)cc2)OC1(C)C 2284408861 BUBOSMOYGAEWLH-UHFFFAOYSA-N 401.315 1.082 30 10 HDEE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CC(C)(C)C#N 2289604914 XAJLEAOMUSGBQH-ZDUSSCGKSA-N 405.517 1.692 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCc1nccn1Cc1nc(C#CCO)cs1 2342918345 QTMNMGGTVQKGKZ-UHFFFAOYSA-N 406.467 1.961 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2362568529 RRAWDHOVVRCCDV-UHFFFAOYSA-N 410.273 1.200 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2365202417 NWCUSWLUJVFWGX-GJZGRUSLSA-N 402.557 1.816 30 10 HDEE COC(C)(C)C[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367782675 AGBSONSSWASENY-HUUCEWRRSA-N 402.557 1.993 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367795900 GQMSCWRUVMSRLW-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367796433 IMXIEVDLXZVYMG-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)c1 20527321 MDZRUNSKYADLJT-KEBDBYFISA-N 413.463 1.883 30 10 HDEE COc1cc(/C=N/Nc2nc(SCCN3CCOCC3)n[nH]2)c([N+](=O)[O-])cc1O 59820581 VXBLCKXOPJNCGF-LICLKQGHSA-N 423.455 1.297 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)N3CCCCCC3)o2)c1=O 101350907 ANXGLBPYHQFEKG-UHFFFAOYSA-N 419.507 1.500 30 10 HDEE COc1ccc(CNC(=O)CO/N=C(/N)c2ccc(-n3nc(C)cc3C)nc2)cc1 109807511 VARXTXZJHWIFRG-UHFFFAOYSA-N 408.462 1.846 30 10 HDEE C#CCN(Cc1cc2c(cc1Br)OCCO2)[C@H]1CCS(=O)(=O)C1 111047172 YUTPPQRNNPLJOZ-ZDUSSCGKSA-N 400.294 1.843 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 254555798 KQNZITBDPAUWAA-CABCVRRESA-N 410.517 1.581 30 10 HDEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1)O[C@@H](C)C2 410125341 OFEFHZHYBNHWOI-GUSZCTEKSA-N 407.492 1.323 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccn(C)n1 410404503 OJCDAPKCWZVDNX-ZDUSSCGKSA-N 402.354 1.503 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCCOc1ccc(C#N)cc1 431978797 AORZZRXTSCBJSP-UHFFFAOYSA-N 418.475 1.305 30 10 HDEE CC1(c2cc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)no2)CCCC1 434949064 AJWKQKCSFFYJCO-UHFFFAOYSA-N 408.462 2.060 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 438997295 IYDIIBKTBMGRKK-SFHVURJKSA-N 405.520 1.218 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCN1C(=O)COc2ccccc21 442150136 FUISQYLXOJPKRF-UHFFFAOYSA-N 422.441 1.827 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460374072 VAOQAJHXGXPSTM-HNNXBMFYSA-N 417.535 1.982 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 461204065 VKEFICUNHVEPOE-UHFFFAOYSA-N 420.516 1.433 30 10 HDEE COC(=O)c1cc(C(C)(C)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)no1 464666384 SJEZUDHLNVQNPV-UHFFFAOYSA-N 401.423 1.897 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccn(C)n1 468755891 AIOGDYNKWMWGRL-CYBMUJFWSA-N 402.354 1.503 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 475771182 LAOIWGIUXRPECV-QGZVFWFLSA-N 410.584 1.855 30 10 HDEE Cc1cc(N2CCN(C(=O)CSc3nnc(CC#N)n3C)CC2)nc(C(C)C)n1 477040276 OMIDDDZWCPELRF-UHFFFAOYSA-N 414.539 1.544 30 10 HDEE CC(C)(C)C(=O)C=c1sc(=Cc2cccc(C#N)c2)c(=O)n1Cc1ncccn1 478231268 QKYYAPJKSCANCY-UHFFFAOYSA-N 404.495 1.844 30 10 HDEE CNC(=O)CCOC1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 494977452 SBEZDMFOEGIXSW-QGZVFWFLSA-N 416.522 1.947 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)CC1 503506438 NGYLHSYMSUHOPR-UHFFFAOYSA-N 424.954 1.776 30 10 HDEE CCOCCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 506558293 ZQAWDNFHHTWWMX-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE C=CCn1c(N2CCN(CC(=O)OC)CC2)nnc1C(F)(F)Oc1ccccc1 508463100 DFJTVYHYXXZRER-UHFFFAOYSA-N 407.421 1.887 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508481031 MQWKQTROQPOIDD-HXUWFJFHSA-N 411.554 1.757 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccccc2C(=O)N2CCOCC2)CC1 515388566 DGBNLFXKCOXHHK-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 521114317 QLYWZAOQJOLZBZ-UHFFFAOYSA-N 422.449 1.859 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccsc2)c1=O 522110461 WTXBBBRBIKPPRM-UHFFFAOYSA-N 416.524 1.797 30 10 HDEE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@H]2C1 534394846 HPWUNCRLHAKMCP-IXDOHACOSA-N 407.492 1.205 30 10 HDEE N#CCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 541039609 SMZKQZYSSRZKFW-KRWDZBQOSA-N 419.503 1.730 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544832843 GXGINJRAGCHLRZ-OAQYLSRUSA-N 416.485 1.831 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCCC1 545384444 BISPEYFHBHRRDL-UHFFFAOYSA-N 412.493 1.828 30 10 HDEE CCn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549398590 CRMWAFUQXCYNAF-UHFFFAOYSA-N 423.502 1.743 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 553156834 ZZBHKCANXJNNFB-HZMBPMFUSA-N 415.434 1.187 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 584267885 ZMGXANKMSFKCGF-IBGZPJMESA-N 422.464 1.725 30 10 HDEE Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585479550 ZWPYJCTXECKQTL-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 608811341 LCSILZAGBDUPCP-UHFFFAOYSA-N 408.458 1.790 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)NCCCN3CCCS3(=O)=O)o2)cc1 609071786 BDLLZQXBMUVIQC-UHFFFAOYSA-N 403.460 1.886 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(Cl)cn3)CC2)cc1 611418960 QVFSQRGGVROOAB-UHFFFAOYSA-N 419.894 1.823 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)c(F)c1 611601557 KUSKOTGMRXWJKB-UHFFFAOYSA-N 423.404 1.930 30 10 HDEE Cc1cn2c(n1)CN(CC(=O)N1CCN(c3oc(-c4ccco4)nc3C#N)CC1)CC2 611801905 JQVOTEIOXVQLHT-UHFFFAOYSA-N 421.461 1.476 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 679531369 XJQMOTFSKWAFLU-UHFFFAOYSA-N 401.385 1.799 30 10 HDEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2cccc(O)c2)c1 729667329 CTWRJJYFRYWDSE-AWEZNQCLSA-O 405.452 1.767 30 10 HDEE CN(C)S(=O)(=O)c1ccc2nnn(OCc3cc(Cl)ccc3OCC#N)c2c1 735303593 XBCNKTWKSSEEOS-UHFFFAOYSA-N 421.866 1.866 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 746177147 BPAHIWYHHMSKGP-FCQUAONHSA-N 408.502 1.952 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)cc1 746572846 YJDKNBXMGVXAJI-SFHVURJKSA-N 407.426 1.728 30 10 HDEE CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750801532 MNDDNZYIINESSF-RWFSNQMCSA-N 407.517 1.762 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@]2(C(=O)OC)CCSC2)ccc1F 759922701 ZEUDRFBDPIRIIY-MRXNPFEDSA-N 402.469 1.069 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760661404 COLHLCDIBJTZDE-JKSUJKDBSA-N 401.463 1.990 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)O)c2)cn1 763381157 IGHITWRPJPJFDK-UHFFFAOYSA-N 405.342 1.916 30 10 HDEE CCc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1S(C)(=O)=O 765912635 HOTNMEISFXSWRL-UHFFFAOYSA-N 406.485 1.784 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 777753558 ANVLVDNHPTYHKV-DOTOQJQBSA-N 406.527 1.803 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 779358617 XGLQSHUODVPZGK-WTIFFKHKSA-N 406.483 1.665 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CC=C 782919474 QIVYMNCNFPMWOE-UHFFFAOYSA-N 402.479 1.449 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784508841 ALESQTNSIZINJA-SJORKVTESA-N 417.487 1.113 30 10 HDEE COc1ccc2[nH]cc(C=NNC(=S)NCCN3CCOCC3)c2c1[N+](=O)[O-] 785450330 YVMIRPZMFAWBII-UHFFFAOYSA-N 406.468 1.215 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@H](O)Cc2cnn(C)c2)nc1C 786924065 YJYCKCZMEVPWRZ-LLVKDONJSA-N 405.509 1.460 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)cc1C#N 788336586 IAURQAISVJWALT-UHFFFAOYSA-N 421.862 1.879 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 788693948 JDAQKZWIQLVFHA-UHFFFAOYSA-N 412.855 1.915 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OCC3CC3)cc2)c(=O)n1C[C@@H]1CCCO1 790420976 KSBRPPZJRQGBSJ-IBGZPJMESA-N 407.495 1.904 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnn(C)c1C 791076969 IVBUALYZUNLVIL-KRWDZBQOSA-N 417.535 1.984 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(F)F)C2)c1 801618803 ZVRROVWBBOCYCP-MYVXHDQYSA-N 416.450 1.997 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)NCCOC)c1 803525583 RVEIPNYOMIZQRZ-LJQANCHMSA-N 400.500 1.976 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 918340946 YRLHIBDMGOYKDU-INIZCTEOSA-N 413.499 1.877 30 10 HDEE C=CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1116587034 FLFYPEHZBIDYCD-OAHLLOKOSA-N 412.512 1.051 30 10 HDEE C[C@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 1129604945 MXYIBCVXPNWSQM-ZDUSSCGKSA-N 412.471 1.897 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCc2c(C#N)cccc21 1130768262 HJISZKQTKIAMNA-UHFFFAOYSA-N 414.487 1.511 30 10 HDEE COC(=O)c1ccn(CCCC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)n1 1131406008 WDBOASIHKVTNQT-UHFFFAOYSA-N 415.475 1.926 30 10 HDEE C#CCCN(CCOC)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1131605845 MTKBGUPKGXAFMT-HNNXBMFYSA-N 404.463 1.564 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1135669914 IHMHZMKUHASSBN-LPHOPBHVSA-N 424.519 1.518 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)COC1 1138107897 FRQLJADRVASIPN-ZIAGYGMSSA-N 404.471 1.194 30 10 HDEE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1161372296 DIAHMEWHEMYXGX-LBRJOISOSA-N 405.476 1.025 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2nc[nH]n2)C1 1162625183 ZZTOALFPULNTLH-AWEZNQCLSA-N 416.507 1.420 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc([N+](=O)[O-])c(F)cc1F 1163350756 OARULTNNOANWSS-UHFFFAOYSA-N 424.385 1.618 30 10 HDEE COc1ccc(NC(=O)CN2CCc3c(C#N)cccc32)cc1S(=O)(=O)N(C)C 1171342407 DMDFMCDHYKXEAZ-UHFFFAOYSA-N 414.487 1.818 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 1171491067 SCNHWAPWEFXGCQ-QGZVFWFLSA-N 403.548 1.951 30 10 HDEE C#CC1(O)CN(C(=O)Cc2csc(NC(=O)c3ccc(Br)o3)n2)C1 1179982661 PWBZRWWVRXWYCG-UHFFFAOYSA-N 410.249 1.500 30 10 HDEE Cn1c(=O)[nH]c(N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c(C#N)c1=O 1186372428 FWFVQSWXYSZBOA-LBPRGKRZSA-N 408.245 1.860 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 1214741147 XSGOZCMZQINZAN-UHFFFAOYSA-N 400.435 1.547 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1286289111 KLCRYSRBMSTUCD-ZDUSSCGKSA-N 419.507 1.431 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1286322855 HJOTVUGUFDXKKB-DLBZAZTESA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1286376823 OHOZPTHRRACUPC-QGZVFWFLSA-N 400.504 1.427 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390122 XNRWDOYEPIADPD-CVEARBPZSA-N 405.524 1.212 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(-n2cncn2)nc1 1286404828 YMRRIFGIQBSDBI-UHFFFAOYSA-N 419.452 1.914 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1286469731 KBUIKUXMVFHNAP-UHFFFAOYSA-N 415.630 1.604 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCOC2=O)CC1 1286486030 FVDBVRDHKMFCAC-UHFFFAOYSA-N 402.499 1.210 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1286515274 WGMUNUQQGVVPNU-IRXDYDNUSA-N 421.567 1.331 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)(C)C)C1 1286779247 HGFAXWNRFIGVRE-KBPBESRZSA-N 412.560 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286819098 ZXBUAWONKJMQQM-JKSUJKDBSA-N 417.539 1.009 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1286949930 QAPYIINQPRPRPW-HXUWFJFHSA-N 414.441 1.684 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cs1 1290435046 FQTAQLBZUBCJIK-IAGOWNOFSA-N 418.523 1.558 30 10 HDEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1299621913 WDAPWANKNQXXFL-OLZOCXBDSA-N 416.404 1.097 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(C)=O)c(OC)c1 1300041624 SWMDYHFAPZJGFD-FQEVSTJZSA-N 416.457 1.930 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300408917 OLJYZDMFLDGVAO-CVEARBPZSA-N 412.498 1.465 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@H](O)C1 1300512451 QARQRCDQEWGBAG-IPJJNNNSSA-N 400.523 1.943 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1300665016 HUKGHNUBISFNBP-UHFFFAOYSA-N 415.457 1.445 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1300719249 TWVOITPBVSQOLH-UHFFFAOYSA-N 418.501 1.698 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300760843 IBVCKDNBROMIGZ-BRWVUGGUSA-N 403.552 1.786 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(Cc1ccnn1C)C1CC1 1300768747 XQYUUDHSTSJCPF-UHFFFAOYSA-N 413.551 1.669 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1301289828 RMISPAHVTLBIEW-UHFFFAOYSA-N 407.496 1.453 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301482673 ACOYDAOYJSDHSD-HNNXBMFYSA-N 412.494 1.348 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)C3(C#N)CCOCC3)c3nccn32)C1 1304038362 VQWQUJNKNCMMQA-CQSZACIVSA-N 401.467 1.710 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC#C[C@@H]1CCCCO1 1307229338 HWOVVMSMYQODSC-HNNXBMFYSA-N 409.464 1.600 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1309695836 BCFQJFCJWYFEBZ-UHFFFAOYSA-N 412.533 1.010 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(Br)cc1N1CCOCC1 1312247981 DPXWKZALUYMMGA-MRXNPFEDSA-N 408.296 1.829 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(N(C)C)CCC1 1314354091 DEQPSFXCLBSEGY-UHFFFAOYSA-N 411.510 1.834 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1316312449 MEOGSURXQFCLQU-CVEARBPZSA-N 409.450 1.030 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316339617 POYMRCMHGQCSAA-XJKSGUPXSA-N 405.480 1.308 30 10 HDEE Cc1c(NC(=O)Cc2noc([C@]3(C#N)CCCOC3)n2)c(=O)n(-c2ccccc2)n1C 1334072650 SMSWCMHRKIQGSU-NRFANRHFSA-N 422.445 1.620 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)cc1 1355743372 FRASLBIGTCZQRN-JFPYRBRCSA-N 413.521 1.405 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358962886 YQWKEHHMDVFVNW-BBWFWOEESA-N 408.524 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(O)CCOCC1 1358971384 SJOILHLSNRNLRG-UHFFFAOYSA-N 416.485 1.950 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O 1358973418 RCFUUAFAESOWPK-UHFFFAOYSA-N 421.910 1.229 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1Cc1cn(C2COC2)nn1 1358981660 SJUQKOGPPWTOED-UHFFFAOYSA-N 401.474 1.347 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359302502 JLZCGOBPYWTVHJ-DOTOQJQBSA-N 416.551 1.941 30 10 HDEE C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1442330818 YJRVBHGILPQQNE-BZUAXINKSA-N 423.510 1.837 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)c3cc(F)c(C#N)c(F)c3)C2=O)c1 1448753161 JYCSLKZCSMUMBH-IBGZPJMESA-N 400.341 1.957 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCCS(=O)(=O)C2CCOCC2)cc1OC 1449879483 FKLRDMWNEIKLEN-ALCCZGGFSA-N 409.504 1.983 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1453885521 CEVBTDFILFMPSA-HNNXBMFYSA-N 400.298 1.880 30 10 HDEE CCOC(=O)[C@@]1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCOC1 1454293742 DARFJMIZNHMSAX-GOSISDBHSA-N 412.439 1.213 30 10 HDEE CSc1ccc(CNC(=O)c2nc(S(N)(=O)=O)c3ccccn23)cc1C#N 1455779516 HHBPUZUNFLYPJD-UHFFFAOYSA-N 401.473 1.505 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCC1(C#N)CCOCC1)N2C(=O)OC(C)(C)C 1457112420 VVUSTAZHQDAPSL-YHUYYLMFSA-N 421.494 1.610 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@@H]1CCCN(CC#N)C1 1457668023 CIYWNDXEQFEJQQ-DLBZAZTESA-N 406.527 1.754 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1460221225 HNKLTCBTGAIQSP-UWWQBHOKSA-N 423.560 1.765 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C[C@@H](O)COc2ccccc2C#N)C1 1460874738 GYBSGZBPMKWRHJ-DYESRHJHSA-N 405.495 1.650 30 10 HDEE COC(=O)c1coc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1463990150 CPGRLSISMUYCQG-UHFFFAOYSA-N 403.460 1.881 30 10 HDEE C[C@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)S(=O)(=O)C1CCOCC1 1470616631 WHTYDZVHLAACOR-OAHLLOKOSA-N 405.520 1.943 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1 1475974047 QKLUOAVSBBUZMZ-RTBURBONSA-N 420.491 1.010 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)C2 1479366343 VOLUBTKHBLYQPY-UHFFFAOYSA-N 421.379 1.845 30 10 HDEE Cc1nnc(N2CCSC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1492966593 WTKJOHFSSKPELP-MSUUIHNZSA-N 418.523 1.215 30 10 HDEE CCc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1498993469 PLBNCRLFNLCQGO-DNTCVELPSA-N 423.477 1.420 30 10 HDEE CCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1499134918 SHFFZSYAVBVVEO-ZCXUNETKSA-N 401.515 1.287 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1NC(=O)CC1(C)C 1505056992 OLPQKQFQZIDWRC-MPTYRVRUSA-N 404.515 1.655 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1505141436 YBFZMKIGDRUETM-UHFFFAOYSA-N 418.523 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1507519511 RTWKZKHKDNCOSC-INIZCTEOSA-N 401.536 1.755 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635392 VXPGTRAPFCXEKF-AEFFLSMTSA-N 421.611 1.976 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1 1507650165 CWYHMQJGMVHCEK-QGZVFWFLSA-N 404.536 1.950 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1507652928 KHFSHOLRGUSSBT-IRXDYDNUSA-N 407.465 1.211 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507847206 IBCOMXSKDZIISB-OAQYLSRUSA-N 415.542 1.695 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1507971676 BLXXKARVFVOMHO-LJQANCHMSA-N 406.508 1.776 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCO2 1509637262 FTKCKOAUGHKHOO-HXUWFJFHSA-N 414.441 1.678 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1519191217 FPHDZIBOPBTILK-LLGFUMIMSA-N 416.526 1.407 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccn(CC(F)(F)F)c1=O 1525285226 WDHVYFSGLJJOAK-UHFFFAOYSA-N 411.340 1.950 30 10 HDEE COCc1nn(C)cc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1534146696 LHBOZBYMNOICTO-FXBPSFAMSA-N 405.480 1.632 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Br)ccc2Cl)C1=O 1537814101 UXZGRTRDWBRSGW-UHFFFAOYSA-N 414.643 1.696 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1539012339 FSJWZQMTRWNTHN-LSDHHAIUSA-N 412.581 1.550 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539067549 HQZZIQGYANEMTJ-GOSISDBHSA-N 424.553 1.575 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539176925 WBPCWBZEPXTWPT-KRWDZBQOSA-N 417.535 1.540 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1539215432 BVUCQNODIIZVMP-AWEZNQCLSA-N 416.532 1.713 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539223980 AVYPZSFNGSFFMG-IAGOWNOFSA-N 412.531 1.622 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1539343138 FVOKRKLRLHWBMI-IRXDYDNUSA-N 418.567 1.873 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCCC(C)(C)C1 1539392076 LFRBQJHUARTALD-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(C2OCCO2)c1 1539409335 XNXNSGSZJSCIPH-UHFFFAOYSA-N 420.473 1.915 30 10 HDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)C1 1539520048 NMLKUPHCJGLIRE-UHFFFAOYSA-N 405.474 1.792 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1539820355 FMGKMBBIMIENRS-MAUKXSAKSA-N 424.977 1.946 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1540544174 PTPBBNZMDVURBG-UHFFFAOYSA-N 412.830 1.554 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1540890280 CCZDSXQBJGLCCA-MOPGFXCFSA-N 403.527 1.822 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cc[nH]n2)C1 1540893626 HJDVRMHBQGLDBW-KRWDZBQOSA-N 422.493 1.198 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1 1542482686 AVBLKPOZJIOAKZ-LJQANCHMSA-N 424.505 1.953 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cs1 1542925896 KDWOVLBFRNACKG-HOTGVXAUSA-N 404.496 1.168 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1552681873 SMCDMKDJSDYJPI-IAGOWNOFSA-N 424.461 1.799 30 10 HDEE CN(CC1CCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1554220323 PMFWTXMJJLZVMS-CWFNNOHCSA-N 400.483 1.892 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)cc1 1554868842 GBZDQPKUJVZOFG-SFNQZPIRSA-N 415.519 1.984 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1555267277 SIBJZLYJAYHAEB-KBXCAEBGSA-N 400.458 1.858 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C)c(C)s1 1555671314 ZMWWZTNATVNPLI-ZFWWWQNUSA-N 406.512 1.853 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1559942346 UNVKLYYLBIVYHH-HNAYVOBHSA-N 409.483 1.350 30 10 HDEE CCOC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560054715 HOAORGHZJCJXNW-UXHICEINSA-N 404.486 1.272 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1563954139 XUIQCMGEQJVGAD-UHFFFAOYSA-N 420.579 1.761 30 10 HDEE N#Cc1ccc(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)nc1 1564874168 RWLOOBOFXPPBFU-ZDUSSCGKSA-N 401.224 1.473 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1569725487 ZIUNMBSMBALNPI-SFHVURJKSA-N 406.504 1.847 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3c(CC4CC4)nnc3C2)ccc1F 1585501998 VMVSHSDFYXIWBW-UHFFFAOYSA-N 419.482 1.490 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1587305433 NJEOQYFFRNPJKA-IRXDYDNUSA-N 414.462 1.160 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1587550453 MWNIOSVCBICFOO-MRXNPFEDSA-N 400.527 1.621 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1587860990 DUIJGBMSGLJNIL-KRWDZBQOSA-N 419.507 1.189 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1588162105 JFAIVOCQZXXABQ-IBGZPJMESA-N 418.501 1.522 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCOCC1 1588205698 QZHVXVAGAPEWAL-GOSISDBHSA-N 421.501 1.857 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2c(C)noc2C)CC1 1588864529 FEDSKSPDPNIQCO-UHFFFAOYSA-N 411.510 1.003 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589048027 RHRPQQWQSHXNPA-UHFFFAOYSA-N 408.553 1.111 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCS(C)(=O)=O 1589164664 XXUJIQJYMBUNNI-RTBURBONSA-N 410.540 1.357 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2OC)n1CCS(C)(=O)=O 1589186272 WFTKHRFULIVBGO-HXUWFJFHSA-N 418.519 1.999 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1589663771 QRWWFVNMKPHIMQ-HNNXBMFYSA-N 411.572 1.887 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1593635924 CTEIOADXFJQLLU-UONOGXRCSA-N 404.558 1.016 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OCC)c1 1595345082 AHVFARJZTTWMKE-FUHWJXTLSA-N 407.488 1.714 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cnccn2)CC1 1595522601 GREXVGVXIQDUNE-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1595550729 ILTIPSDWPJCFJP-ZACQAIPSSA-N 421.567 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC=C)C1 1595723420 WGNLTYCZSBJECY-DLBZAZTESA-N 410.540 1.554 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC[C@H]2C)C1 1595738450 POBQZHWDPQMBSI-QUCCMNQESA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595784860 LQFXDAYTAMRDDG-HOCLYGCPSA-N 408.528 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@](C)(OC)CC1 1595798438 PMDANCRTMQVQNS-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)C(C)C)CCOC1 1596790497 NKQOYTRCMMBAGU-JXFKEZNVSA-N 406.531 1.687 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1)C(=O)OC(C)(C)C 1611571944 DGQRQPBYOOYPLE-CQSZACIVSA-N 409.508 1.642 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(N=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)cn1 1612007179 OURPDVFJPNPFKC-GFCCVEGCSA-N 406.368 1.740 30 10 HDEE Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617488446 ZERMIMUEJZBBLP-UGSOOPFHSA-N 404.879 1.751 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1618632484 BFBIEQKNNCBPQB-KRWDZBQOSA-N 419.493 1.448 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CCC1 1620483635 XADDOBYHMMUKRW-QUCCMNQESA-N 420.579 1.940 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN[C@@H](CO)c1ccccc1I 1620653874 RFSCHOLLMAMJPZ-WFASDCNBSA-N 415.275 1.922 30 10 HDEE CN(C)C(=O)O[C@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 1622162115 HENDQWPCRYHOOD-JTQLQIEISA-N 402.270 1.782 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1625165503 OLYCOILVPQFZSF-LLVKDONJSA-N 403.298 1.107 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 1628147174 YHQOLZGYXCSSDD-ZWKOTPCHSA-N 405.445 1.675 30 10 HDEE C[C@@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1629083135 WSTGCZKGWKHINK-UGKGYDQZSA-N 414.506 1.500 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc(C)c1C#N 1629870330 JKQFXDULPRFHFX-IAGOWNOFSA-N 420.535 1.287 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)c(OC)c1 1632817120 XNBIRSQQIOPFLI-UHFFFAOYSA-N 416.522 1.314 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](Cc2ccc(F)cc2C)C(=O)NC)CC1 1636435666 DYLDCNZKBXIDDS-GOSISDBHSA-N 416.497 1.210 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1636627437 NIPLWYHMJKMADA-INIZCTEOSA-N 409.464 1.790 30 10 HDEE C=C(C)CONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1639691231 RBESTDBOJSGZMF-UHFFFAOYSA-N 410.492 1.873 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C 1639824015 MBBJPOZAAZRPQB-UONOGXRCSA-N 402.923 1.601 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCC2)[C@H](F)C1 1640005214 FTEVVNMWSOEQTD-CVEARBPZSA-N 408.499 1.150 30 10 HDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1640503612 MLERCLIJEMXUDC-SFHVURJKSA-N 417.443 1.119 30 10 HDEE N#Cc1cn(C2CN(C(=O)CSc3cccc(Br)c3)C2)c(=O)nc1O 1640636683 LEZUGQFBDOXPQR-UHFFFAOYSA-N 421.276 1.759 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1 1640830182 CUIXUQOKGMABNN-IERDGZPVSA-N 417.462 1.923 30 10 HDEE COC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(OC)c1 1640969644 DIYCLXNLYNKSQP-GOSISDBHSA-N 417.487 1.923 30 10 HDEE CCOC[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1643301882 NOZPQKGWKTWHQK-IAGOWNOFSA-N 400.435 1.027 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1644490053 ASTNZBYOCNWLGO-AVRDEDQJSA-N 420.513 1.827 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCc3ccc(S(N)(=O)=O)cc32)c1 1644865769 HMALEYKMBMVSGY-UHFFFAOYSA-N 412.471 1.416 30 10 HDEE CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1645007858 OVRJAPWSAZRRKQ-ZFWWWQNUSA-N 409.508 1.709 30 10 HDEE Cn1cc([C@H]2CSCCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1645652532 MEIGNCCQVCQHFS-GOSISDBHSA-N 418.544 1.913 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1645738055 VLACTEXGGKAVSP-UHFFFAOYSA-N 408.476 1.089 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2)cc1S(=O)(=O)NCC#N 1645779553 LNGXVOITBSQWHL-QGZVFWFLSA-N 404.536 1.934 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1646439526 IOQDAQRFNHFZSE-ZTENYAIWSA-N 411.524 1.467 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OC 1648791059 DYVFYNPIHHQJPV-LBPRGKRZSA-N 419.297 1.643 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N(C)CC)C1 1649114076 DNADPISXQDBZFY-WBVHZDCISA-N 406.552 1.837 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(n2cccn2)CC1 1652837660 RZSDIONHUGZOKR-UHFFFAOYSA-N 415.519 1.788 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@]3(C#N)CCCOC3)n2)CC1 1654390336 SKVGEBUKTBVKHX-SFHVURJKSA-N 405.459 1.121 30 10 HDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(Cc2ccco2)c1C 1659502384 KGCKIVHDKGNTOT-UHFFFAOYSA-N 414.384 1.432 30 10 HDEE CCCCn1c(N)c(N(C(=O)CN2CC[C@@](C)(C#N)C2)C2CCCC2)c(O)nc1=O 1659525251 WMRHDFLRYVGZBK-NRFANRHFSA-N 416.526 1.842 30 10 HDEE CCNS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(Cl)cc2C#N)c1 1664352141 FRDIUKRQSWCXKB-UHFFFAOYSA-N 413.908 1.988 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)cn1 1666117356 ZQIJBRCGIZTXOG-UHFFFAOYSA-N 404.492 1.977 30 10 HDEE Cc1cccc([C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccn2)c1 1671238899 CDNCXALENASMTK-IBGZPJMESA-N 416.441 1.880 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C(=O)NCc3ccc(OC)c(C#N)c3)C2)CCC1 1683694895 MIRBZEOBSPRTLU-NRFANRHFSA-N 401.463 1.947 30 10 HDEE C#CC1(O)CN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)C1 1685719267 FXYMIZPFBMYGKO-UHFFFAOYSA-N 405.520 1.138 30 10 HDEE CC#CCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1686076044 APFQNMJJTIZANU-PYOKUCOHSA-N 402.413 1.774 30 10 HDEE C[S@@](=N)(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1686181231 DAVKDKLIUMKULI-HFECXHBLSA-N 406.512 1.562 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689980410 RCSFYTONVOAJSG-KRWDZBQOSA-N 407.584 1.687 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sccc1C 1690104100 MLYICUBGFYTFHE-INIZCTEOSA-N 422.576 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCCO[C@@H](C)C2)CC1 1690137477 ABXWUPXRWFDYLO-KRWDZBQOSA-N 402.543 1.053 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1690185235 VOJGJXYMPSCUSJ-UHFFFAOYSA-N 401.492 1.168 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690678499 YHINUSNHIYDTJQ-IAGOWNOFSA-N 416.526 1.174 30 10 HDEE Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693496478 ALDGFSCIQUKBOP-NXDJFEHLSA-N 400.483 1.508 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694175873 LPZBTLQFNIVKQK-IUTYPILCSA-N 402.499 1.791 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1695919040 GYOBZEVSWPZPSJ-CVEARBPZSA-N 402.499 1.555 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)C1 1696198085 AAEXSCGEKQBNMO-LCUHEZEJSA-N 419.526 1.672 30 10 HDEE CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696433830 WYDWDXPZCCWHDZ-SFHVURJKSA-N 411.510 1.802 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1696500179 XCMPHDYDTNCYGQ-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN(C)CC(F)(F)F 1696990436 FZXPZYZGUWIVSX-UHFFFAOYSA-N 423.443 1.883 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1697788147 WUVKLLHGOAWCDH-KRWDZBQOSA-N 403.458 1.922 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(F)(F)CC2)o1 1698488323 NXAUPGDNFSDHBR-GFCCVEGCSA-N 411.434 1.929 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705652890 QSWVTLAXWAJXLF-HXUWFJFHSA-N 420.583 1.084 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705660178 OXWCIUPDVIVJPI-DLBZAZTESA-N 422.576 1.165 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 1705674448 JFYWGHGPUFCDRN-WAOWUJCRSA-N 419.595 1.904 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705755161 NCOULIZNJVWHRV-ZIAGYGMSSA-N 410.931 1.660 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC=C(Br)C1 1705894026 LEYORPFZYBMHQJ-UHFFFAOYSA-N 423.315 1.305 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1709830645 UUMYHOYCOHYTLW-MSOLQXFVSA-N 421.505 1.448 30 10 HDEE CN(CCn1cccn1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1711215518 KZACMTXXPXJJOF-MSUUIHNZSA-N 412.498 1.435 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1722312281 AYNFYBPCDOZWEL-UHFFFAOYSA-N 410.478 1.939 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1722353235 UMEGWEVELYIHEH-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCS(C)(=O)=O 1722398698 AFDUINLUWHUUFI-UHFFFAOYSA-N 400.504 1.385 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)SC)CC1 1722449908 TZPMDKWGJHUZKA-HNNXBMFYSA-N 418.567 1.118 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)C1 1724003056 LCHWTNMYKKILLQ-CSODHUTKSA-N 416.526 1.802 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cnnn1 1727209793 XYAJTFZILUEIJM-IBGZPJMESA-N 414.518 1.403 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2F)n1Cc1ccc(C#N)o1 1729374342 PTOAMIFRVGDGAP-UHFFFAOYSA-N 424.436 1.892 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1729408248 BAXRISGIMGMABG-QGZVFWFLSA-N 410.478 1.279 30 10 HDEE CS(=O)(=O)CCOCCn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1731008368 NHXDRSDZJZAMJZ-SFHVURJKSA-N 413.519 1.514 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740565610 YLGAQZCSSMGFAI-IBGZPJMESA-N 407.540 1.235 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740577595 JRQNQYLKGXBPHG-MSOLQXFVSA-N 411.510 1.878 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C(=O)OC(C)(C)C 1740598723 BBKVBRYTBSLRCE-UHFFFAOYSA-N 413.482 1.862 30 10 HDEE C#CCN(c1nnc(C)n1CCN1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740617685 VJVOLYWSYBVHEV-LPHOPBHVSA-N 413.547 1.664 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740668077 BUEYQBQVOWHQNT-CABCVRRESA-N 404.515 1.944 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1740709733 QRWDIVSJPAXZMM-UHFFFAOYSA-N 411.539 1.532 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1740773813 DSVZRLNQJRFWLJ-QGZVFWFLSA-N 423.583 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1740987879 ZPIHOSDCFYNGBI-UHFFFAOYSA-N 412.585 1.191 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741285246 RBZARDDAQGRFNK-GOSISDBHSA-N 422.537 1.679 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCCO 1741884895 CFUIDURWOQQBEC-OAHLLOKOSA-N 405.524 1.849 30 10 HDEE Cc1noc(C)c1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1742870817 GGCYQOUZYMWNON-KRWDZBQOSA-N 405.462 1.976 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CC=CCC1 1748887552 DEYCROWPZMWKQS-UHFFFAOYSA-N 406.490 1.731 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1 1748964713 HQRFDWUFXQMIPX-UHFFFAOYSA-N 424.549 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)CC1 1748990283 GNUXVQMYQQAZDA-LJQANCHMSA-N 416.570 1.386 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749027843 VJMKOAKPKRCXGK-LJQANCHMSA-N 424.530 1.524 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1749391996 XCUIYRSLKYQLOE-INIZCTEOSA-N 410.588 1.919 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1749529512 FWLPBSRDGDQPJH-KRWDZBQOSA-N 422.493 1.607 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCOC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682089 OGNIYWMHCJVFKL-DYESRHJHSA-N 421.542 1.484 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1752335545 LDBRRKPBJASCOR-CICGVWCYSA-N 408.466 1.354 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1752410048 BUTVKHWODLALAF-OAHLLOKOSA-N 415.519 1.867 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C 1760202279 YPMBMYJIQRDOCF-WOJBJXKFSA-N 404.518 1.913 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1760224282 DTHCPXQXLFSNKX-UHFFFAOYSA-N 418.461 1.924 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(C)=O)CC1 1760287056 DTRDTQAKSPHJPM-JOCHJYFZSA-N 412.538 1.765 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1)C1CC1 1760468733 FPBYPDHZHDLRPU-UHFFFAOYSA-N 407.540 1.494 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760524145 QGALMBMAXMDVOR-INIZCTEOSA-N 413.478 1.492 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760525273 ZWEIMISNKAKNOH-QFIPXVFZSA-N 408.506 1.196 30 10 HDEE CC1=CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762163114 SEIGVQPHGSGVMG-QZQOTICOSA-N 419.489 1.947 30 10 HDEE Cc1nccn1-c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)cn1 1762347485 BVAYZPMDCVHFPO-PBHICJAKSA-N 419.493 1.905 30 10 HDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCCC(=O)NC)no1 1764621055 IEVAAMIIPJZNQZ-UHFFFAOYSA-N 422.493 1.967 30 10 HDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C1 1766497683 HXQARRFZFSMSCG-KRWDZBQOSA-N 412.494 1.728 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1767008211 GARPRHUBLQHVEW-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1767088881 ZMXXTZFCPLOHOQ-LAUBAEHRSA-N 410.478 1.543 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1769588248 WHAMWWSHPJKSAZ-COXVUDFISA-N 413.434 1.878 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc(-c4cnccn4)n3CCCCCO)CC2)c1 1770740909 QJCKIPJWZJZHSM-UHFFFAOYSA-N 419.493 1.491 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1771348309 BXZNLYDTXIJFPV-HOTGVXAUSA-N 405.480 1.656 30 10 HDEE N#CCCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1cccc(Br)c1 1849634613 HERBLLWZPOTMLC-LBPRGKRZSA-N 415.313 1.611 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)NCC#CCN(C(C)C)C(C)C 1851043796 DKAFQIHFWHDFFU-UHFFFAOYSA-N 403.527 1.312 30 10 HDEE Cc1nc(=NC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)c(C#N)c[nH]1 1851624946 LBONTBHDESAXQH-UHFFFAOYSA-N 420.452 1.649 30 10 HDEE Cc1nc(C(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(C#N)c(C)c1Br 1851740162 BIFCPBKUUTXFJF-VIFPVBQESA-N 400.298 1.982 30 10 HDEE CN(C)C(=O)[C@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1851834858 XYHHOCHXNPYICG-OAQYLSRUSA-N 421.501 1.490 30 10 HDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1cccc(F)c1C#N 1852756416 ZYMINYHTCJTESM-LLVKDONJSA-N 422.404 1.769 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCn3cnc4cc(C)c(C)cc43)C(=O)C2)C1 1853729070 HIWXMQBJGCTYPD-LJQANCHMSA-N 409.534 1.974 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3nn(-c4ccccc4)cc3OC)C(=O)C2)C1 1853741628 PBPAVSSPRIXJPW-GOSISDBHSA-N 409.490 1.426 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CC(S(=O)(=O)c3ccc(OC)cc3)C2)CC1=O 1853993198 BHJREXSRPFLGOH-OAHLLOKOSA-N 406.504 1.494 30 10 HDEE CC(=O)CCC(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854195531 GAJLVFMTQJLESU-SFHVURJKSA-N 400.454 1.312 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854339297 RRDFPTZHWZFNHE-QZTJIDSGSA-N 405.462 1.085 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3cncc(OCCOC)c3)C(=O)C2)C1 1854355134 WKSKRRCTWUSUAN-SFHVURJKSA-N 402.495 1.042 30 10 HDEE CN(C)c1cccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1855186641 HLCXRCWXTUEKJM-KRWDZBQOSA-N 401.444 1.786 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1C[C@H]1c1ccccn1 1855961972 YXOFTOPIYATHIU-IAGOWNOFSA-N 424.482 1.835 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4cocn4)CC3)CC2=O)CC1=O 1856055664 IOVIMOAVXRBWOP-IRXDYDNUSA-N 400.479 1.296 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)CC(F)(F)OCC)C2=O)CC1=O 1856238570 LKONTBFPDOUZBC-LSDHHAIUSA-N 401.454 1.490 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)nn1C 1856347336 IWWJDVFSSIPQEY-OAHLLOKOSA-N 412.519 1.221 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(Cc3ncon3)c3ccccc32)CC1=O 1856652381 VVVKNWBMGQILBE-HUUCEWRRSA-N 409.446 1.620 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708338 VLOLAYXYIGUPCU-QWHCGFSZSA-N 405.423 1.335 30 10 HDEE CC(=O)N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1857144640 LFUBMORIZBHQOJ-INIZCTEOSA-N 402.882 1.559 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3C[C@@H](CN4CCC(CC#N)CC4)CC3=O)cc2n1C 1857208821 UEUPINUYSKNYSB-MRXNPFEDSA-N 409.490 1.491 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)C[C@@H]3CCCCO3)C2)C1 1857460798 FEAZGUSOAHWKRW-SJORKVTESA-N 412.490 1.741 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)c3cc(F)ccc3n2)CC1 1858571193 YUKCUJLHDIBMNR-UHFFFAOYSA-N 413.434 1.857 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871548698 QMZIPYOVWFBDIV-UHFFFAOYSA-N 411.510 1.952 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)ON2C(=O)c3ccccc3C2=O)CC1 1880977446 AIVZCONDASVNBI-UHFFFAOYSA-N 404.419 1.893 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc1C#N 1891228560 ZBPZEQUVKJXIIW-UHFFFAOYSA-N 405.437 1.940 30 10 HDEE C#CCOC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)n(CC)c(=O)n3CC)CC1 1891525516 LHONGECLOUQAQP-UHFFFAOYSA-N 419.503 1.006 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 1891785487 ZQNUZCUYKWOBBN-NSHDSACASA-N 402.461 1.585 30 10 HDEE C[C@@H](C(=O)N1CC(Oc2cccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892148071 IRJJSECTPGJVLJ-AWEZNQCLSA-N 400.460 1.398 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C 1900028160 KZUGXSOZDOKVMU-UONOGXRCSA-N 401.504 1.848 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1963654805 DCCNTZJGMKZDRD-ZDUSSCGKSA-N 416.316 1.987 30 10 HDEE C=C(Br)CN(C)C(=O)[C@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C 2010358944 ZYQWQSIYZPIRDL-LLVKDONJSA-N 400.277 1.764 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(F)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174780583 WJZYLNFVHAKTEW-CBCUQQMYSA-N 404.508 1.699 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@](O)(C(F)(F)F)C1)C(F)(F)F 2180831912 ZZOGUKPLSYQQBW-DTWKUNHWSA-N 404.229 1.902 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247863946 YIHKINNSTHUGOT-CABCVRRESA-N 421.303 1.336 30 10 HDEE CCN(CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2247912174 CROPCKWAMXPHOG-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255647921 FWDVVDOFVMEKPN-WMZOPIPTSA-N 424.354 1.970 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2267352373 DMNJJKPZJYJMIK-UWVGGRQHSA-N 406.766 1.729 30 10 HDEE CN(CC1CSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471541 IGBWVVTXZRTJEW-UHFFFAOYSA-N 404.388 1.567 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC[C@@H](C#N)CC1)NC(=O)OCc1ccccc1 2270502930 XLRNYMPJWGBIOJ-WBVHZDCISA-N 423.491 1.410 30 10 HDEE CCn1ncc(NS(=O)(=O)N2CCC[C@H](C#N)C2)c1I 2280050559 LLCGBNJCQVUORT-SECBINFHSA-N 409.253 1.400 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](CO)[C@@H](N)C3)c2Cl)OC1(C)C 2281937217 WYXRIGDOLWIELG-JQWIXIFHSA-N 400.737 1.482 30 10 HDEE Cc1sc(C(=O)NC[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281945088 UTKJITCEQDIQIG-JTQLQIEISA-N 401.359 1.827 30 10 HDEE CN(CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2282413449 FBAZDEAIOUIAGO-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(N3CC(F)C3)C2)OC1(C)C 2282490024 GDYKZNJHABTMDF-UHFFFAOYSA-N 402.322 1.074 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@]2(C)CCCN2)OC1(C)C 2282492678 SFVBXTKVYBSYGX-INIZCTEOSA-N 401.363 1.004 30 10 HDEE Cn1ncc(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)c1Cl 2282494739 BNXFPAHFEOBTKR-UHFFFAOYSA-N 418.737 1.771 30 10 HDEE CCN1CC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282499469 PTBIKIJIZRVPTR-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC[C@H](CN(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504089 JPMKRUPWNCGCJY-GFCCVEGCSA-N 403.379 1.202 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H](C)C(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282505150 ZKRWWXAMPJURAU-SECBINFHSA-N 402.347 1.158 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@H](O)C2)OC1(C)C 2282832720 RFLDTWLUXOHAOF-HAQNSBGRSA-N 401.721 1.688 30 10 HDEE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282834661 MEUQFINZNAYXOV-JTQLQIEISA-N 402.709 1.181 30 10 HDEE CN([C@@H]1CC[C@@H]1N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282838340 MYFSNNKMRTXLDU-UONOGXRCSA-N 400.737 1.749 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCC[C@H]1O 2282847873 GBQMXCFOQUHIQM-YNEHKIRRSA-N 401.359 1.875 30 10 HDEE C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848665 QIUBGLRXLPQUDA-GXTWGEPZSA-N 400.375 1.760 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1CCNCC1 2282852148 LNANEMIJMNFFEX-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)c3cncc(Cl)c3)s2)OC1(C)C 2284062947 JRCWVEDHNYSMCX-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE COC[C@@H](CC(=O)O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2284430275 RKIPNBCAWRGCSF-SECBINFHSA-N 403.693 1.920 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1ccc(OC)c(O)c1 2331549064 RXIRKAKRDZVLJZ-UHFFFAOYSA-N 407.496 1.981 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1cnsc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n1cc(C#C[C@H](OCCCN)c2ncc(I)s2)cn1 2366049424 WEURFYCZYWUWOV-NSHDSACASA-N 402.261 1.939 30 10 HDEE CC[C@@](O)([C@H](C#CC1(S(C)(=O)=O)CCC1)NC)[C@@H](C)NC(=O)OC(C)(C)C 2367808179 AMUOMUXELOWWBU-VCBZYWHSSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)[C@@H]1C(C)(C)C 2367808695 FVURBGFUIJSNLB-BIENJYKASA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367832224 YLAFMJPEKJPMKD-NJSLBKSFSA-N 400.541 1.196 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCC[C@@H]1NC(=O)OC(C)(C)C 2372721434 FECJTIMJJCLZKZ-GLJUWKHASA-N 400.497 1.009 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2C1=O 54827457 OBKNUXTWFDHYFB-INIZCTEOSA-N 411.458 1.180 30 10 HDEE COC1=CC(=O)/C(=C2/C=C3NNC(=O)[C@@H]3[C@H](c3ccc4c(c3)OCO4)C2)C(OC)=C1 136860297 VTJFDXQOHBMFHN-HUHPWQTHSA-N 408.410 1.977 30 10 HDEE N#Cc1nc(N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1C(F)(F)F 409731273 JVVWOXHXDBMMRQ-CQSZACIVSA-N 405.380 1.987 30 10 HDEE Cn1cc(Br)c(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 432924716 ZSMHXZREENEFCK-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN([C@@H](C)C(=O)N4CCCC4)CC3)cc2C1=O 446676482 MEEFBKKHQVEQTQ-INIZCTEOSA-N 424.501 1.237 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cc(C(F)(F)F)[nH]n3)C2=O)cc1 448515984 UCOQYYKNRQHALV-NSHDSACASA-N 406.324 2.144 30 10 HDEE CS(=O)(=O)c1nc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c2ccccn12 461303467 DCRWEUBLVWZWFD-UHFFFAOYSA-N 407.415 1.442 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 467053712 LNNGCEKTYNZYKF-JFOHDYCDSA-N 405.476 1.025 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 469883230 UXDHPZKKPUEFKF-INMHGKMJSA-N 405.476 1.211 30 10 HDEE CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@]2(CCOC2)O1 478365795 WOOWXGLULLKIDM-QFBILLFUSA-N 407.492 1.207 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 479903152 PEPDMTNFOTXMPD-IRXDYDNUSA-N 423.539 1.044 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)c(F)c1 481022297 LFYMGWLPWZREJI-UHFFFAOYSA-N 402.451 1.448 30 10 HDEE N#CC1(NC(=O)C2CCC3(CC2)NC(=O)NC3=O)CCN(Cc2ccccc2)CC1 482724307 PVYYSNRZJPUXOO-UHFFFAOYSA-N 409.490 1.429 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N(CC)CC)cc2C1=O 484248052 AINRTLOLZUJIBM-MRXNPFEDSA-N 401.488 1.852 30 10 HDEE Cc1ncc(S(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1C#N 489392696 AKNZNISBEDFCTG-UHFFFAOYSA-N 419.551 1.265 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2cccc(Br)c2)CC1 501257993 VQSFKNMDHOJCJB-QGZVFWFLSA-N 410.312 1.583 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 513790078 RNUBFYLHJMTVLN-HXUWFJFHSA-N 411.439 1.562 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(CC#N)ccn2)C1 532180685 VHSPCACECRZXGQ-HNNXBMFYSA-N 403.464 1.792 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)c2nc(-c3ccccc3)no2)CC1 534805623 BZIJJTKOFXYKEH-INIZCTEOSA-N 412.494 1.470 30 10 HDEE Cc1cc(NC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)nn1CCC#N 538616377 ARXJBLRRQZOYJN-MRXNPFEDSA-N 401.515 1.702 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCCO2)CC1 549649788 CLCFNPDBTCHRDG-LJQANCHMSA-N 416.570 1.929 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2cnccn2)CC1 568106469 FUVUJWGXXHTHLG-CQSZACIVSA-N 421.527 1.302 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 603957407 AVILNPOLAQMCNV-HNNXBMFYSA-N 424.954 1.919 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)NCCSCc3ccccc3C#N)CCN2C1=O 610706165 FRKFCSFOXFYMEY-MRXNPFEDSA-N 401.492 1.469 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 619821153 VTMIRTMDEOGECU-LJQANCHMSA-N 402.520 1.554 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 705679734 JXGPNKWMYWSNCM-SWLSCSKDSA-N 415.899 1.718 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccoc3)c2=O)cn1 727418274 XLTJXTWIDUPGBO-UHFFFAOYSA-N 407.451 1.768 30 10 HDEE Cc1nnc(NCCNc2ncnc3c2c(Br)nn3C)c(C#N)c1C 728051486 MSCIQDJQEBMXMO-UHFFFAOYSA-N 402.260 1.928 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 731213727 PTXVHYPYKQZOKR-AZUAARDMSA-N 404.532 1.871 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 732152643 FLGUCNLDNYIHOW-VXPUYCOJSA-N 411.458 1.912 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(OCc2ccccn2)cc1 732447606 DYBNNIBCUDETRK-QZQOTICOSA-N 421.457 1.986 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC(C)(C)C 732650977 OVNGFFQTFGEDEQ-INIZCTEOSA-N 420.535 1.584 30 10 HDEE CSc1cc2c(cc1NC(=O)C(=O)N1CCN(C3CC3)[C@H](C#N)C1)OCCO2 732706427 JNFVPIROXYGDJF-CYBMUJFWSA-N 402.476 1.317 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cc1csc(N2CCCC2=O)n1 734293935 UJKAFMDOZXYZER-UHFFFAOYSA-N 404.473 1.498 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)Cc2ccccc2C1 737984698 NZRGRBZQEQFWRA-UHFFFAOYSA-N 413.499 1.151 30 10 HDEE CC[S@@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 741425455 SBUNUOZTMWIFBS-DQJRMYJUSA-N 400.526 1.390 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCCN(c4cnn(C)c4)C3=O)cc2C1=O 741827402 WSDIVTMPTICHSL-KRWDZBQOSA-N 408.414 1.555 30 10 HDEE Cn1cnc2c1c(=O)n(CC(=O)OCC#Cc1ccc(C(F)(F)F)cc1)c(=O)n2C 750877409 QQHZSBKAVKLYEZ-UHFFFAOYSA-N 420.347 1.047 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CCO)CCOC2)cc1 762214572 QDWCJVHBWSVSRZ-ACXJOVJBSA-N 424.523 1.410 30 10 HDEE C[C@H](CC(=O)OCc1nsc(N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 771361818 KRBNUKBIYZTBKM-SNVBAGLBSA-N 409.493 1.165 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[C@@H]1c1ccccc1Cl 771892257 OWBNSCSDVNKZTB-QWHCGFSZSA-N 410.883 1.195 30 10 HDEE C#CCN(C(=O)NCc1ccnc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 774162853 ATSYCKTUFATKDV-CYBMUJFWSA-N 405.398 1.355 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 779712414 IPVFDGNFKJSMHD-IAGOWNOFSA-N 423.558 1.261 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cl)c(NS(C)(=O)=O)c2)n1 788813517 MBDVDTANDHNSKE-UHFFFAOYSA-N 424.910 1.830 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)cn1 790021861 NEZOJROWYAGKDS-YUELXQCFSA-N 405.524 1.498 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(=O)n(-c3ccccc3F)n2)n1 790104508 DOULXLHIYYVUHG-UHFFFAOYSA-N 409.421 1.490 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 791853784 TYBWMXDBASQQKH-RDTXWAMCSA-N 402.513 1.815 30 10 HDEE COC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CCCC2 798744179 QNOTZOSAVBIHJN-SNVBAGLBSA-N 417.447 1.620 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)c(C(F)(F)F)c1 800385688 AMBDSESTWVDUOX-AXITVAHCSA-N 422.384 1.709 30 10 HDEE CN(C)C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Cl)cc1 802142493 BCKXYNZQQLZXAG-ZDBRSUKYSA-N 405.886 1.768 30 10 HDEE CS(=O)(=O)N1CC[C@@H](COC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 803866864 TZHZDUNUPAAVAY-OAHLLOKOSA-N 409.483 1.738 30 10 HDEE CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)NC(=O)OC(C)(C)C 804155467 CZVHAFQGEMAJPC-MRXNPFEDSA-N 406.458 1.979 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 805114460 UKXYHOZIZDXVNJ-AEFFLSMTSA-N 408.524 1.933 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)C2=O)c(OC)c1 805442303 TXWPTQFKOVZUJR-ICSRJNTNSA-N 409.442 1.526 30 10 HDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)CC2(C#N)CC2)c1 816023544 CPZXGJVNHRNKCQ-UHFFFAOYSA-N 401.238 1.734 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)C1=O 1132652886 YVTYTXXKSGRMFW-ZBFHGGJFSA-N 405.838 1.653 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 1132668169 FEMYTQNWOMVMGD-OAHLLOKOSA-N 422.279 1.855 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(O)cc(Br)c2)cc1 1140703494 DUYGXRBCFORRBB-UHFFFAOYSA-N 410.249 1.943 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1142078029 OOCQYKPIZKPWHT-CABCVRRESA-N 404.529 1.925 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1142674933 XNQYJANUCIWYMO-TWGQIWQCSA-N 421.406 1.411 30 10 HDEE C=CC[C@@]1(C(=O)NCCc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1155112898 OLGBNKJLECDDAL-FQEVSTJZSA-N 416.482 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1168930650 PGWYXASWVPKMBV-ZWKOTPCHSA-N 424.501 2.000 30 10 HDEE C=C(C)C[C@@H](NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OC 1171470124 NOSCBNSDHYXEAU-NWDGAFQWSA-N 403.888 1.416 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(Br)s2)CC1 1175514615 BERQDCJQFZYDKU-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE O=C1C=COC2(CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)C1 1176610348 OJCGWMGUWQKUBE-UHFFFAOYSA-N 404.467 1.000 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)Cn3cc(C(F)(F)F)c(C)cc3=O)CC2)o1 1190020871 RVWYNQXJUQWNKL-UHFFFAOYSA-N 409.368 1.692 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(Br)c2)CC1 1196758038 NUROKEGBAZZGPQ-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](CNS(C)(=O)=O)C1 1197572726 FWURFYYVRDTLHQ-HUUCEWRRSA-N 410.565 1.890 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1214090779 CVMUZXXQQNODHD-UHFFFAOYSA-N 421.269 1.945 30 10 HDEE C#CCNC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1221156071 XUKHZVWMEGIYCB-JKSUJKDBSA-N 405.499 1.197 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CS(C)(=O)=O 1233853132 OCUIJJZUPLYTEC-OLZOCXBDSA-N 402.517 1.115 30 10 HDEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1251861363 CVRQRXDJXYXBDU-UHFFFAOYSA-N 412.468 1.586 30 10 HDEE C#CCN(C(=O)CC1CCOCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1286048700 ZRYIGFRNIKIHPL-JRHPMUGDSA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1286284454 CRCPVLZCGVFVJA-CQSZACIVSA-N 400.508 1.824 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1286291962 ZRWFQUDRTARZDY-CQSZACIVSA-N 417.477 1.813 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OCC 1286368611 WNWUWPKUBOGKGJ-UHFFFAOYSA-N 415.461 1.832 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCSC2)CC1 1286473199 YQPQHYSNVRAISN-ROUUACIJSA-N 407.584 1.901 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](F)COC)CC1 1286479417 RVPYGMXJEJUWDI-HNNXBMFYSA-N 407.440 1.887 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286508997 ZYSKWFRLQFSRPW-MRXNPFEDSA-N 405.549 1.254 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1286670647 ILDAQWWWTZPHDR-OAHLLOKOSA-N 404.515 1.127 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1286687202 HIGBTAAOTIEWEG-HOTGVXAUSA-N 409.556 1.499 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cnccn2)CC1 1286711325 MYRNQXXIHQLFPP-UHFFFAOYSA-N 407.482 1.444 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccco1 1286789762 HPWPJVJOVXMVQT-UHFFFAOYSA-N 414.491 1.801 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN2CCCC[C@@H]2C1 1286820539 MZOHPHYUKPSHNM-DLBZAZTESA-N 409.556 1.057 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN2CCCO)n1 1290588729 AAPWQVUIQGWVRY-PKOBYXMFSA-N 414.558 1.725 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1294249776 NEKLYZZAWQQNMW-CQSZACIVSA-N 414.365 1.931 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc3ncccc3O)cc2C1=O 1297609004 DTPRJZPVQNQXGQ-OLZOCXBDSA-N 422.441 1.962 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1297756956 GZQNAACFLBZXID-KRWDZBQOSA-N 407.475 1.111 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1298088875 MERUCYQSUIEOOR-QFIPXVFZSA-N 423.521 1.254 30 10 HDEE C[C@H](CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1299227313 GBGXNWLBWYQQBI-ZIAGYGMSSA-N 409.508 1.661 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H]21 1300365541 YQAQNMLWWVCMAU-BBWFWOEESA-N 407.540 1.403 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 1300381348 CJEOMGNFNIHFOR-OTWHNJEPSA-N 403.527 1.326 30 10 HDEE C#CCCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424194 COLSWIPAEZEBLQ-LEWJYISDSA-N 404.511 1.728 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1300485036 TWAJZZZUGFZCKU-NHAYFPRASA-N 408.568 1.969 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1300488338 QXTKRGASQLUIHZ-MRXNPFEDSA-N 400.504 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@@H]1OC 1300554919 MNITWXKDANSGSY-MSOLQXFVSA-N 422.489 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1300559302 NWPHGCGLAGOXFF-YADHBBJMSA-N 416.522 1.587 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1300650116 YOWRLISLIUKUAE-OPAMFIHVSA-N 424.480 1.997 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSC(C)C)CC1 1300686235 YQQJSYVRMPKOFM-FQEVSTJZSA-N 407.584 1.827 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300989778 QTZPTBISNVTHSB-RTBURBONSA-N 416.526 1.785 30 10 HDEE C=CCN(C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1301285788 FAIJAXCEHMIQRN-UHFFFAOYSA-N 410.569 1.284 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2CCC[C@H]21 1301478490 LTAWQCZKTJUGIB-JKSUJKDBSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cccnn2)CC1 1301508323 HZHDAIRMEBDCRU-UHFFFAOYSA-N 424.534 1.349 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H](C)C2)C1 1301566070 JVZFXPUYDBHMGF-FGTMMUONSA-N 403.527 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1301578944 KWSRJSZNSNBVEW-HZPDHXFCSA-N 405.524 1.737 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1301836831 ULPQYOJZGBVONV-QFIPXVFZSA-N 424.505 1.727 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21 1302495654 RYAFCUWXMLSAGP-DLBZAZTESA-N 400.508 1.745 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](CC)N1CCCC1 1305789544 FEHPPHSPRSUFME-ROUUACIJSA-N 417.558 1.800 30 10 HDEE CN1CCC(O)(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1309215273 HGLKRDHBYKTWBT-UHFFFAOYSA-N 406.277 1.195 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1309653330 BSUWANQYWARJOE-UHFFFAOYSA-N 422.503 1.337 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NC(=O)NCCn1cnc(C#N)n1 1312660345 CZIKATVVYMNKKZ-NVXWUHKLSA-N 411.466 1.640 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1312898393 NGKNUFVIAXNLBD-BBRMVZONSA-N 406.487 1.460 30 10 HDEE CSc1ccc(CNC(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1C#N 1313288303 HYOGYTOZOYPOCN-UHFFFAOYSA-N 404.539 1.137 30 10 HDEE COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1315859763 CVOSEWGHJLVGGJ-LSDHHAIUSA-N 420.539 1.821 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)CC1 1316533320 LQWLBNUWJHRSAT-MRXNPFEDSA-N 411.466 1.471 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358911748 CDQRMWMTDUXLNE-SFHVURJKSA-N 411.510 1.910 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1359010642 VSIAFWVNVVWLCX-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1359017186 WIWQCDBGXZWYCY-INIZCTEOSA-N 420.510 1.730 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCC)CC1 1359018123 FLXARQRBMOHCDN-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2noc(CC)n2)CC1 1359040307 ORKVYPQSOWMCFH-UHFFFAOYSA-N 413.526 1.730 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccnc2C)CC1 1359044856 QDWSRYLBPUVZHP-GOSISDBHSA-N 423.521 1.089 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCOC2)CC1 1359055548 HIFDCOSHVMERBT-DLBZAZTESA-N 403.552 1.849 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1359176940 UINKJHJDXDILKY-UHFFFAOYSA-N 409.538 1.907 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1359203281 MCZGVNPPFKHCIJ-IRXDYDNUSA-N 419.555 1.970 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359305969 RUPASWIYAJSRGA-FIKGOQFSSA-N 420.558 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1359333214 QYVSLFPTFZZQSY-UHFFFAOYSA-N 409.556 1.279 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)C1CCC1 1360203980 XCZQARJINHSTAM-UHFFFAOYSA-N 415.542 1.853 30 10 HDEE CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1440044967 MATHXPNECNPABC-UHFFFAOYSA-N 418.475 1.876 30 10 HDEE Cc1c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)nnn1-c1ccc(F)c(F)c1 1446275309 DNMXSEYHIHQJEW-UHFFFAOYSA-N 400.393 1.736 30 10 HDEE C#CCC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCOCC1 1455917846 OEUBPSOBGQDKNJ-UHFFFAOYSA-N 422.503 1.205 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1457184466 FURRTSRVVVMERE-HDJSIYSDSA-N 408.480 1.008 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2nc3ccc(Br)cc3o2)c(=O)n1CCO 1459235291 GGJOSGKBSRAWJD-UHFFFAOYSA-N 405.208 1.134 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(=O)NCC34COC4)c2C#N)C1 1460684219 DFSLGAPHTVSBCR-ZDUSSCGKSA-N 402.520 1.664 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1460760831 RMNQIMZSCMEPBC-HNNXBMFYSA-N 411.474 1.143 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1461940480 BKLCEWYPZXGQEY-OAHLLOKOSA-N 406.460 1.734 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](COC)c2cccc(Br)c2)C1=O 1462319996 CBFQIJKRIZVBMG-CYBMUJFWSA-N 424.251 1.230 30 10 HDEE CN(C(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1)c1ccccc1 1463166301 ZKVCBFNPLXRBID-PGRDOPGGSA-N 423.494 1.974 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)ccc1OCC 1464023009 AOLBSQMJTDSDQA-UHFFFAOYSA-N 411.476 1.838 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1464300133 IOKMXIBJCZNPQC-ROUUACIJSA-N 424.544 1.403 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccnc2)CC1 1466291242 ASVGHQAHIRXYIV-KRWDZBQOSA-N 400.479 1.673 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)C1 1467830003 GXLNBUQCUHVSFG-OAHLLOKOSA-N 412.581 1.675 30 10 HDEE N#C[C@@H](CO)NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1468044119 VGPMBIRNFOLVKM-AWEZNQCLSA-N 409.284 1.562 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(O)cc1O 1469153135 RSCOCJCJWQBYEM-MRXNPFEDSA-N 417.487 1.867 30 10 HDEE CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@]1(O)CCOC1 1469351580 QZJQXKVDSSNQDV-VLIAUNLRSA-N 405.882 1.858 30 10 HDEE COc1ccc(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1S(N)(=O)=O 1470387894 HNQMWFPKKCTNFP-MRXNPFEDSA-N 400.460 1.181 30 10 HDEE O=C(NC[C@H](n1cncn1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1471058060 IXKYESJROQRYCG-VIFPVBQESA-N 406.306 1.609 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](C#N)C3)CC2)cc1OC 1471765627 AIGOIESUMWAYAL-HNNXBMFYSA-N 421.519 1.867 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)O2)[C@@H]1C 1471930082 YQZDPAWKECNFRB-BAAGSCJXSA-N 406.504 1.562 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1475677280 RIBCTBBPOYTFDP-MRXNPFEDSA-N 412.533 1.050 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CN(C)CCN1C 1475706288 FUQFPCOIIZENJJ-FZMZJTMJSA-N 401.330 1.233 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C2=O)cc1 1478568228 NXGVHWUBLZAIOT-HJFSHJIFSA-N 416.425 1.269 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1478581202 JACPQDHPGFZOSL-MJGOQNOKSA-N 407.486 1.470 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1492393142 KZLZTWXKEPFKOR-ROUUACIJSA-N 424.505 1.809 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)n1 1492754307 WMUKWMOUQHAFQL-QZTJIDSGSA-N 415.498 1.064 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619660 YVBXFXHYJKWUTJ-BFUOFWGJSA-N 402.455 1.143 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1503403744 SKWHMSISFMSKGS-KRWDZBQOSA-N 404.902 1.905 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCCCN2CCOCC2)cn1 1503648102 UFEZQEGBZWYTEW-UHFFFAOYSA-N 412.542 1.921 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1COCCO1 1504944914 WBAGEJKIMXCURP-QFBILLFUSA-N 415.494 1.926 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1505044218 RWECTZOBZYOVOL-SFHVURJKSA-N 413.478 1.869 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1505322959 CNDZBCOKYLDOMW-HZPDHXFCSA-N 421.548 1.626 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507633292 FOUOOOQINYZDIT-INIZCTEOSA-N 423.583 1.266 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1507703416 AJZPLMPIJTYUKQ-CYBMUJFWSA-N 421.299 1.400 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1507983460 QNRSMRSKOIVQOO-LSDHHAIUSA-N 404.492 1.642 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1508072466 IEFTZNJXQICJPG-HNNXBMFYSA-N 421.505 1.804 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1508094541 GYOHMOZUOAQQCU-SFHVURJKSA-N 405.543 1.943 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCC(=O)N2CCOCC2)C1 1508124533 POBCFCLXZMGBPN-GOSISDBHSA-N 403.527 1.966 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCSCC2)CCOC1 1516127483 ASVUEUDOVFXEIA-LPHOPBHVSA-N 408.572 1.575 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)cn1 1517367135 CLBODOFDWBRQII-FQEVSTJZSA-N 408.441 1.462 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C 1519431533 WCNRLSICGHYWSG-UKSSEWCLSA-N 407.490 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C)c(C)s1 1519449153 LBYBMMKJGVTXQD-UXLLHSPISA-N 418.523 1.853 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(S(C)(=O)=O)ccc1Cl 1525871183 OXDZTWFDXUYDKY-LLVKDONJSA-N 420.882 1.151 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3nnnc3-c3ccccc3)C2=O)cc1 1528682146 FLAJYUCGMNGPEE-SFHVURJKSA-N 401.430 1.524 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)co1 1531825514 ASVMUJKOHRDVQG-UHFFFAOYSA-N 403.460 1.837 30 10 HDEE CS(=O)(=O)CC1(NC(=O)c2cccc(COc3cccc(C#N)c3)c2)COC1 1531969792 RTPDAMBMDMFFLY-UHFFFAOYSA-N 400.456 1.681 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1534973855 VNQITHKIKIEBDI-CRAIPNDOSA-N 422.503 1.852 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1539005594 SPLAVJPDVKPKBC-GOEBONIOSA-N 401.492 1.161 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OC 1539337952 OQYBXDHGQAYAKF-OALUTQOASA-N 409.490 1.917 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CC2(CCOCC2)C1 1539413976 PQOUJDYXHQFOBJ-QGZVFWFLSA-N 401.511 1.522 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(C)CCCO2)CC1 1539484705 ZYWPSGYMNKSAMA-HSZRJFAPSA-N 422.533 1.799 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1539744463 MLCHEPLZAKKKPZ-KRWDZBQOSA-N 418.542 1.565 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539802409 XELFXQFVCSOONF-LSDHHAIUSA-N 418.947 1.565 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1539965835 BOYZJKTUUNFXKA-INIZCTEOSA-N 409.556 1.499 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 1540472149 FHWWXSHBTGGHHU-SFHVURJKSA-N 410.515 1.774 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nn1 1540743376 JTXTXXCFAQSCIF-UHFFFAOYSA-N 409.899 1.654 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)C1CC1 1540861895 KOSCNKMJUOZRFQ-UHFFFAOYSA-N 402.886 1.762 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540916362 AMYPORWQPXGSLE-GJZGRUSLSA-N 406.512 1.971 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540917680 BSYLROSPZYHVTB-MRXNPFEDSA-N 402.524 1.134 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541113360 UYQIEHLWCSERKZ-OIISXLGYSA-N 406.556 1.956 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1541878531 CZNQVOOXFQVADN-FXAWDEMLSA-N 421.505 1.514 30 10 HDEE CC(=O)NCC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1542277210 WRMZYQBRUAIRKB-SFHVURJKSA-N 411.462 1.138 30 10 HDEE Cc1nccn1CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1542972468 ILJSMBJIGNUBQS-IBGZPJMESA-N 406.494 1.978 30 10 HDEE CNC(=O)[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1543358490 BJHWOFLHRBFWAZ-ANZKDXPISA-N 404.511 1.758 30 10 HDEE COCC#CC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556483617 XSIOQVXDJWRDFG-CQSZACIVSA-N 415.309 1.368 30 10 HDEE Cc1c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1557916549 MBDGDZJSHMKVEJ-JOCHJYFZSA-N 418.457 1.033 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 1558616272 HVPQZQCTBLQLEA-WTTBNOFXSA-N 405.476 1.196 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1558676203 PQGDKEMDUWASKT-ZDUSSCGKSA-N 418.519 1.667 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CCCCCCS(N)(=O)=O)CC1 1567795288 AHAAIGPZYWBWKZ-UHFFFAOYSA-N 408.524 1.998 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 1583662368 ZASHVUACWJYDJH-QGZVFWFLSA-N 418.540 1.999 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1CCC(O)CC1 1585530314 TTYMVVPWLDVNPB-UHFFFAOYSA-N 407.536 1.953 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)o2)cc1 1585986737 CKDGXNQNJMBCCV-FQEVSTJZSA-N 416.455 1.760 30 10 HDEE CO[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCOC1 1587103585 JEHVHPNQNZJVGW-HKUYNNGSSA-N 421.519 1.127 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1OC 1587187611 ZAUCNXPFTJMLSD-JOCHJYFZSA-N 408.458 1.913 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1588089689 NQDPLCOEYGAHKS-HXUWFJFHSA-N 422.551 1.216 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1588224330 WNUVNUWVEUSPLZ-GOSISDBHSA-N 410.522 1.485 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC[S@@](=O)CC)CC1 1588955210 RLLRXYGULUGOGF-LJAQVGFWSA-N 419.595 1.745 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1589150832 LYNHBSRIABDMFR-QFBILLFUSA-N 423.583 1.966 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CC2)CC1 1594193080 NVDSBFFSLNVCSC-HNNXBMFYSA-N 412.556 1.982 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCOCC2)CCOC1 1610903222 MZTUIMLRTQEHPF-FXAWDEMLSA-N 405.499 1.474 30 10 HDEE Cc1nnc(N(C)Cc2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1612537426 HSFZUGMVGFGEAC-UHFFFAOYSA-N 415.479 1.202 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1613558618 IDXICWWKFQDVIY-UZLBHIALSA-N 405.522 1.979 30 10 HDEE COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1616332736 HOMKPZQLRUVFQM-HZPDHXFCSA-N 422.279 1.282 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC[C@H]1C 1620024158 DUKZVNORUWELQM-QRVBRYPASA-N 420.558 1.995 30 10 HDEE C[S@](=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1620178425 GCNCGCDETVFAOP-AEPGYGRJSA-N 404.540 1.660 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1 1621647885 CGRRTOXWTZCJNJ-UHFFFAOYSA-N 405.564 1.980 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1cc(Cl)ccc1OC)c1cc[nH]n1 1624037148 PSNXDJGUMZXEBS-AWEZNQCLSA-N 424.841 1.205 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2cccc(C#Cc3ccccc3)c2)[C@H]1c1cnn(C)c1 1624897971 YWSOGLIAMUUTEK-YPAWHYETSA-N 414.465 1.949 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 1624927343 YXRMNDUSLHMUIK-NNLSSIJJSA-N 420.495 1.114 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](C)C(=O)NCC(F)(F)F)c(C#N)cn1CC 1625717788 CCIGLVCDNJZLDK-SECBINFHSA-N 403.361 1.745 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1626206213 ZETDAQCTRSIUBL-ROUUACIJSA-N 416.474 1.874 30 10 HDEE CC[C@@H](CO)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1632104249 NWZOZQOIZRNHER-SFHVURJKSA-N 402.344 1.823 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1632533331 UUULWEFCXFJJQZ-PWSUYJOCSA-N 412.288 1.600 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCC3)[C@](F)(C(=O)OCC)C2)c1 1632678309 IXZDYVVCAUTGRO-HXUWFJFHSA-N 422.478 1.496 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCCO1 1634469023 CIPJSLLBVUKDHR-AZUAARDMSA-N 404.474 1.961 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)CC(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1634813988 IQDGRQVEHMOXIC-UHFFFAOYSA-N 400.541 1.919 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1639961755 HIWXBXFSTQVUQJ-KRWDZBQOSA-N 412.471 1.179 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N(C)C(C)=O)nc2)s1 1643195760 QMZDFCWBSRQDKP-UHFFFAOYSA-N 408.505 1.771 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)C1 1643878083 MZMQJKDOVKPOAV-VLIAUNLRSA-N 422.482 1.884 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(Cc3nn[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1651238484 FFLQGZISYIDKMU-HXUWFJFHSA-N 402.499 1.774 30 10 HDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NCCS(=O)(=O)c1ccc(C#N)cn1 1654744071 SQZIITLSSKEPIG-KRWDZBQOSA-N 413.455 1.847 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1 1658327099 GKJRAUHPNRZZEP-UHFFFAOYSA-N 401.463 1.968 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c(C)s1 1661080519 GVYKUOGOOVCLHR-UHFFFAOYSA-N 417.578 1.695 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OCC 1662024019 MLLKYDVTOJBHIX-CYBMUJFWSA-N 404.510 1.113 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@H]1CCCO1 1662679049 MWSKRGLRSLYHTF-DZGCQCFKSA-N 409.284 1.983 30 10 HDEE CO[C@@H](CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 1663140438 BGSSVKVUNGTRAJ-PMACEKPBSA-N 413.499 1.966 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)nn1 1666550919 CHWCROBNDIFJOT-UHFFFAOYSA-N 423.477 1.599 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1 1667057247 BPMCZJBMAHQPNX-UHFFFAOYSA-N 403.548 1.669 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1668498157 ACFVVWSRRRNJAY-RCCFBDPRSA-N 423.535 1.923 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1672020156 OCXPNNDWMKBSRN-AEFFLSMTSA-N 405.524 1.108 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1)C(C)C 1675965088 YFXAHPZPTBRYPN-MSOLQXFVSA-N 412.542 1.701 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1 1676313215 CRMCCWPVSSFBIE-QGZVFWFLSA-N 412.943 1.832 30 10 HDEE C#CCOCCNC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1680738609 NJPYWGAQMVZCBK-OALUTQOASA-N 420.554 1.894 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1682560109 LYCBGHKUGTWKKZ-LJQANCHMSA-N 421.519 1.035 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1682939092 UVIBQAKHECIUHV-QGZVFWFLSA-N 412.469 1.126 30 10 HDEE C#C[C@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 1683508349 QVMQJECMBDQVIN-IRXDYDNUSA-N 410.312 1.458 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1689852740 JYHYMKLNHNHRSR-ZBFHGGJFSA-N 409.556 1.505 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1689888181 CHVVJAMJOLMOJV-DYESRHJHSA-N 411.510 1.518 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1689892478 GOJZYWDACYPRHK-IRXDYDNUSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992644 NOYVVDAPIXSWRV-IRXDYDNUSA-N 421.592 1.832 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC2(C1)OCCO2 1690001675 PQHYUOBQACNRKV-ZWKOTPCHSA-N 402.495 1.618 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1690067564 BRZUVJGYEGJRBX-UHFFFAOYSA-N 419.507 1.463 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1690076906 DJKXBDLUEYBQAX-PXNSSMCTSA-N 411.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)N(C)C)CC1 1690132354 ORGNEIZOZXDEGY-UHFFFAOYSA-N 410.522 1.399 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@@H]2C)CC1 1690135183 QMZISBUMQZQPAR-UFYCRDLUSA-N 416.570 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)C(C)C)CC1 1690145907 AQLJNLGWAHKELK-AVRDEDQJSA-N 417.554 1.545 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1Cc1ccc(C#N)o1 1692881669 WVQSVNRMMIKBHW-STQMWFEESA-N 422.511 1.405 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1693552162 JGBJLTYYSPBFMR-CYBMUJFWSA-N 404.421 1.765 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693927179 CDYJTKXQPCHIIB-UTKZUKDTSA-N 411.510 1.884 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOC(F)F)cc1 1698489145 WNVIZHXWACCOQA-OAHLLOKOSA-N 417.420 1.660 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1705478067 WEBZPNFRCZQIMH-AAEUAGOBSA-N 410.569 1.662 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)COC2)c1 1705504570 ASKUWGQLKZLEKE-KRWDZBQOSA-N 422.489 1.322 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1705510548 RWRZUQFQPVMQCW-FUHWJXTLSA-N 423.583 1.945 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705565415 IEEBEECAWDDYRZ-ROUUACIJSA-N 415.519 1.046 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705568978 BPQAFDHWBMXSDH-KRWDZBQOSA-N 402.524 1.144 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1705596781 NOJZYDIIJRULSN-QGZVFWFLSA-N 409.494 1.045 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705728935 DIAOREZDRPVCAW-QYZOEREBSA-N 405.543 1.737 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1705734105 DDCDRTBIYDEZBC-UHFFFAOYSA-N 417.514 1.003 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705745011 WFTASJYVPCSWNB-MRXNPFEDSA-N 401.920 1.184 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1705782549 ZCMSYFGTAYLTLI-GOSISDBHSA-N 403.527 1.823 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1705942746 CEAPTJISRBGFQI-UHFFFAOYSA-N 401.540 1.959 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1706937579 NMAALMKYKSBOHT-HNNXBMFYSA-N 407.540 1.879 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712181947 BFNJXEXNBOUPKN-INIZCTEOSA-N 416.457 1.415 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1712565975 JRPAZYPDAWCYRS-RCCFBDPRSA-N 406.531 1.463 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1722294227 QCDGCDOXYVLFLF-LSDHHAIUSA-N 419.489 1.411 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722360294 FZLOFPWVUAXWIA-QGZVFWFLSA-N 412.475 1.312 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCC1 1722397798 URYYRGRFUIJDMF-SFHVURJKSA-N 418.563 1.992 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1722404518 BYQUCJDQBWVRKD-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCCC 1722426600 KTDFDVIMYKLWTJ-SFHVURJKSA-N 413.478 1.403 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(O)c1 1722473851 IAECXSCXDYDKIW-OXJNMPFZSA-N 400.504 1.926 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722600458 NIULATPDDFYPNN-LSDHHAIUSA-N 410.544 1.056 30 10 HDEE CC(C)C#CC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1735795045 CXWIDXHUHHKTMR-ASPUVNIQSA-N 422.525 1.670 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1740575856 WIROGTNXVSEEFD-KSZLIROESA-N 421.567 1.793 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC1CC1 1740635481 OYZVTEYZYBJELO-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740667768 PMDKDUQNWFNFOK-KRWDZBQOSA-N 420.525 1.639 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@]2(O)CCO[C@@H]2C)n1 1740688585 XJDACPULOFMNBN-DYESRHJHSA-N 416.526 1.424 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ncnn2C(C)(C)C)CC1 1740691639 LCFUPNDZIQFSIJ-UHFFFAOYSA-N 408.510 1.997 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1740782962 ZMYCZKVOXFPFOA-GJZGRUSLSA-N 422.530 1.863 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740840325 VVUUMBUPHHHQMB-INIZCTEOSA-N 410.540 1.124 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1 1740941414 KEFPEZDWJHDUJJ-GJZGRUSLSA-N 400.570 1.572 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1741123491 DFMQLYPDIRGFNN-JKSUJKDBSA-N 419.493 1.980 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)C1 1741983424 KBWFRUWGOCVVBH-KXBFYZLASA-N 422.555 1.574 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1748731056 ZPHMLYJCIHZZMX-JKSUJKDBSA-N 407.478 1.586 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1748801739 FOWRJHSUTBZOLS-MRXNPFEDSA-N 403.508 1.480 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748805494 SMXBWNVZNFLGGT-ZJPYXAASSA-N 424.567 1.846 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1748817740 POTRCUPRQHTSBQ-ROUUACIJSA-N 420.579 1.920 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CC1 1748984557 NUVPTMKPNOWHSD-UHFFFAOYSA-N 405.506 1.487 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)on2)CC1 1748998991 DWBXUHRXLCQLRW-UHFFFAOYSA-N 422.489 1.966 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 1749364359 QTOUXRFXRDVBJD-MRXNPFEDSA-N 410.526 1.948 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749434359 POOKOZCCKQVUFF-UHFFFAOYSA-N 424.571 1.275 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1749488821 NBJDMIISZOJXRG-MRXNPFEDSA-N 413.507 1.431 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2ccsc2n1 1749590527 ZCVVDJCMBZBCSH-UHFFFAOYSA-N 415.523 1.910 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1750060679 IGJDZGLEMASUFN-YVEFUNNKSA-N 423.315 1.793 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCN(C)C1 1750066241 HQDCMKJKCDHPRM-BTYIYWSLSA-N 412.494 1.379 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCc1cnn(C)n1 1750112949 FWDGVPUWRKMRMG-ZOBUZTSGSA-N 402.503 1.502 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)NCC)CC1 1760148735 KRVDAYDGUIDHSZ-UHFFFAOYSA-N 415.929 1.665 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1760179531 UITFDMNUMPHGNY-INIZCTEOSA-N 405.524 1.107 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1760189214 SMROOZKJZQGEEB-HLIPFELVSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCc2cn[nH]c2)CC1 1760261728 BAALBXKDZLOEKY-UHFFFAOYSA-N 405.506 1.599 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nc(C)cs2)CC1 1760269540 KWJGHCGPHFIHOA-MRXNPFEDSA-N 414.535 1.561 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760282962 XKWSLAQITWFXGF-QGZVFWFLSA-N 414.510 1.588 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(CC)S(C)(=O)=O)CC1 1760381547 QAPNEKJMGBFNGJ-UHFFFAOYSA-N 412.560 1.244 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760401398 IIIHYGFDTTUVAM-VQIMIIECSA-N 410.540 1.124 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1760502496 AYBZTYZEPPVYIT-INIZCTEOSA-N 408.528 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760556149 VXDJHTBSZRPWEZ-DLBZAZTESA-N 421.567 1.784 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1760606145 CZJDRXNLJNNEQP-KRWDZBQOSA-N 423.521 1.206 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1763201868 VLXVBJPLDFIZOJ-QGZVFWFLSA-N 414.535 1.647 30 10 HDEE CCCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1764205737 YGPHBPDOCUPRGU-QAPCUYQASA-N 413.519 1.829 30 10 HDEE CCOCc1nnc(N2CC[C@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767829857 VSYOPXMAAPXXOY-IJYGLTAASA-N 400.483 1.577 30 10 HDEE COc1ccc(OCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768747465 XXSBCKAPQHXBPP-SFHVURJKSA-N 421.461 1.942 30 10 HDEE Cn1ccc(Nc2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)n1 1769027527 LNVTWBCVSWRERT-UHFFFAOYSA-N 400.468 1.233 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769107373 REHUVGCZRAHKIN-DOTOQJQBSA-N 415.542 1.121 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)CC1 1771534206 RAAKKLZDFYPICM-SFHVURJKSA-N 416.526 1.697 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc21 1772791031 XDYVPKKJDAUHTH-UHFFFAOYSA-N 407.382 1.080 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(O)[C@H](O)C[C@@]21C 1848439840 QARLZCYMQMQPNT-QGAFPSKTSA-N 420.502 1.467 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1850086432 SRHRYIKRWSGYJV-QGZVFWFLSA-N 408.499 1.331 30 10 HDEE C[C@H]1Oc2ccccc2N(CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1850523153 LYJKRQLCGPLDON-MRXNPFEDSA-N 424.501 1.801 30 10 HDEE Cn1cnc2c1CC[C@@H](C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1)C2 1851216052 SNIOGGFDAKAYIM-UYAOXDASSA-N 424.501 1.720 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)CC2=O)cn1 1851850780 DYYMTGCOHYMGEC-JTQLQIEISA-N 421.401 1.034 30 10 HDEE C[C@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)N(C)C(=O)OC(C)(C)C 1851944240 JBCHHZDLSVRNFI-MRXNPFEDSA-N 417.510 1.874 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1 1853630828 ODRFEMVZXCJTEN-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cncc(OC(C)C)c2)C1=O)[C@@H]1CCN(C)C1=O 1854167462 HIYUCEMDHUPUKA-MSOLQXFVSA-N 400.479 1.329 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc3n(n2)CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1854263083 POGWYOYNAWRXOM-RBUKOAKNSA-N 413.522 1.459 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2=O)cc1C#N 1854299438 PLMSJNSULACVOG-UHFFFAOYSA-N 419.409 1.818 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1 1854644195 XGGGVTXREUWJDP-INIZCTEOSA-N 411.483 1.857 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1 1854941915 USNAJDUCCBDKKA-IEBWSBKVSA-N 413.522 1.920 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4nccnc4n3)C(=O)C2)C1 1854980137 SALIKZUTHMASRP-JKSUJKDBSA-N 407.478 1.076 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)[C@H](C2CCOCC2)C1 1855034974 XOJKLVNRRCATKA-SFTDATJTSA-N 410.518 1.732 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccnc4ncccc34)C(=O)C2)C1 1855047836 YXBQUSSLOOCFPG-SJORKVTESA-N 406.490 1.681 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855739634 AMUPDBXVHBKAHA-NWDGAFQWSA-N 407.364 1.056 30 10 HDEE CON(C)C(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1855845545 VULHNHKOOLGNJQ-KRWDZBQOSA-N 412.490 1.669 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)c1 1856155071 MEYWQZCPINHLEM-SFHVURJKSA-N 400.479 1.721 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856171889 NLGOVELDLRTQQU-SFHVURJKSA-N 417.531 1.770 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1CCC#N 1856198054 FKVCCFBDEYHFRC-INIZCTEOSA-N 418.519 1.060 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)c1 1856306662 NDYNDXYXMXYVJT-HNNXBMFYSA-N 412.471 1.632 30 10 HDEE C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856312634 AGEXXLCNTOALDF-PBHICJAKSA-N 401.488 1.887 30 10 HDEE Cc1c(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)nnn1-c1ccccc1 1856525741 ZLPMLOHSWZFXIG-AEFFLSMTSA-N 404.474 1.943 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1856551230 IWLSTSQGKNNCQW-IEBWSBKVSA-N 400.523 1.921 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@H](C)Cn4ncnc43)ccc21 1857026644 OEVMLYQYNDBLBX-CYBMUJFWSA-N 415.475 1.505 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)Cc3cccc(OC)n3)CCC2=O)CC1=O 1857368684 JJJVKPMMTNNDFI-IAGOWNOFSA-N 414.506 1.322 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(C)CCCC)ncnc21 1873562325 XTELTYNPMALNKH-UHFFFAOYSA-N 400.527 1.604 30 10 HDEE C#CCNC(=O)CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1987983559 PHIMIEAZEICVIB-QFIPXVFZSA-N 414.506 1.021 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2037964214 CFEPAVQZSWTTTJ-UHFFFAOYSA-N 408.476 1.745 30 10 HDEE C#Cc1cc2n(c1)C(=O)N(CC[C@](C)(C(=O)NO[C@@H]1CCCCO1)S(C)(=O)=O)C2 2069453788 ZOSXUAJBKFSVMR-VQIMIIECSA-N 423.491 1.021 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)C1 2118163780 SSZGWUWIBLHZHO-SFHVURJKSA-N 418.519 1.954 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCS)C(=O)O)[C@@H](C(F)(F)F)C1 2123764256 ADIIXVUINWWDJJ-LPEHRKFASA-N 400.419 1.921 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(CNS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174778975 DHWISPPUCVJPMV-UYSNPLJNSA-N 400.545 1.997 30 10 HDEE C#CCN(C(=O)[C@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180116851 FPBRLYHNOBWOSV-CABCVRRESA-N 418.581 1.670 30 10 HDEE CCS(=O)(=O)[C@@H]1CSCCN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2235502646 BOGUETSLSNESTA-CQSZACIVSA-N 418.415 1.752 30 10 HDEE Cc1sc(CN(C)S(=O)(=O)C2COC2)c(B2OC(C)(C)C(C)(C)O2)c1C 2237642919 COARNTDNDURBKD-UHFFFAOYSA-N 401.359 1.825 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccnc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2248433968 STKAHHKHMLCKEO-UHFFFAOYSA-N 419.287 1.613 30 10 HDEE CCc1nc(C(=O)N[C@@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031531 TXXJCIPONIYXSU-JTQLQIEISA-N 402.347 1.168 30 10 HDEE C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282310591 WJIJRVZHBKDHOV-PWSUYJOCSA-N 420.793 1.929 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C(=O)N(C)C 2282315809 STTOOFAZPJLLFQ-JTQLQIEISA-N 402.347 1.111 30 10 HDEE COC(CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)OC 2282505512 FJUUMXIEQZZTQW-UHFFFAOYSA-N 405.709 1.536 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CO)C1 2282830917 BSRCTAJIKVMXTN-YPMHNXCESA-N 401.359 1.605 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H](CN)C2CC2)OC1(C)C 2282832874 SRWVGZGCFFKIPQ-AWEZNQCLSA-N 400.737 1.655 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H]1CCCNC1 2282833703 JFOUGZWDJBCQEF-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](O)C1 2282835421 UQQSLDISHCKUGU-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@H]1O 2282844841 JMWWJPFVZSGAFH-CHWSQXEVSA-N 401.359 1.747 30 10 HDEE CN([C@H]1COCC1(F)F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850343 NTVHRPUHKHDCPD-NSHDSACASA-N 409.285 1.702 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3COC[C@H]3F)ccc2Cl)OC1(C)C 2282866785 PBXVBGDNVXKCGL-KGLIPLIRSA-N 405.684 1.654 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282867636 BLWMIAZIHLFTRN-XELLLNAOSA-N 402.347 1.120 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871548 IXQAFJSUMBQYQP-QWHCGFSZSA-N 400.375 1.822 30 10 HDEE C=C(CS(=O)(=O)NCC[C@H](N(C)C)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2282876810 JEQGXBMTBWYWTK-LBPRGKRZSA-N 400.272 1.976 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCN 2282882160 HRQDAVNGFDNWBD-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NO[C@@H](C(=O)O)C2CC2)OC1(C)C 2284413690 AWUJNUVPFHLJLU-GFCCVEGCSA-N 403.287 1.120 30 10 HDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCCC1 2285392312 XXQAFVOKQYHPAW-HNNXBMFYSA-N 403.545 1.998 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC1(O)CC1 2285709720 YGBFICOKLCHXMG-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1ccc(OC)c(OC)c1 2331564905 FTJNWESWDVOKAO-UHFFFAOYSA-N 407.496 1.942 30 10 HDEE CCc1csc(C#C[C@H](N)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338647115 MBFGHBFZEDUBMM-UONOGXRCSA-N 401.554 1.712 30 10 HDEE Cn1nc(Br)c(Br)c1[C@H](O)C#CC1(S(C)(=O)=O)CC1 2341987992 FJJKAQNPQUAVEJ-SSDOTTSWSA-N 412.103 1.559 30 10 HDEE Cc1csc(C#C[C@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n1 2363698854 GGJCPYMJULTLCG-UONOGXRCSA-N 413.565 1.943 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2365205317 ADCTYHJDKFKEPG-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC(C)(C#C[C@H](N)[C@@H](O)c1ccc(I)cc1)S(C)(=O)=O 2365211382 NQLKVEQZHWZSED-STQMWFEESA-N 407.273 1.479 30 10 HDEE COc1[nH]c(=NCCn2cc(Br)nn2)ccc1B1OC(C)(C)C(C)(C)O1 2365346957 AILNFZLZFQIZMM-UHFFFAOYSA-N 424.108 1.277 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)c1cn(C)nc1I 2367788409 PDKCHIYNUZTHAA-LLVKDONJSA-N 407.277 1.256 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367789518 ROSVWEJQQVFPRR-ZIAGYGMSSA-N 403.497 1.730 30 10 HDEE C#CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 111048390 WCEHAVZJXPVBNQ-GOSISDBHSA-N 400.504 1.550 30 10 HDEE CC(=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1)c1ccncc1 254700247 LBVBAUHFALALIX-UHFFFAOYSA-N 403.446 1.713 30 10 HDEE COCCN1C(=O)[C@H]2CN(Cc3ccccc3)C[C@H]2NC1=NC(=O)OC(C)(C)C 310032219 YIAGEYXFMVMLMB-DLBZAZTESA-N 402.495 1.856 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 404902852 IJQMJQMWJSOTOH-SNVBAGLBSA-N 403.693 1.942 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 409512427 IQVXYUVVWYADPP-CJNGLKHVSA-N 406.487 1.715 30 10 HDEE COc1ccccc1S(=O)(=O)CCCN1CCN(c2cccc(C#N)n2)CC1 464493959 HXBBPRYTAZZPFO-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE CC(C)CN1C[C@@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCN2C1=O 488802244 WUWZXCGIMZVOHH-KRWDZBQOSA-N 408.466 1.749 30 10 HDEE N#C[C@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(Br)cc1 499392929 PYTIRFPUMYIHBE-INIZCTEOSA-N 417.263 1.858 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NCc1cn(CCC#N)nc1-c1ccncc1 500538678 WJOWYGXHGTZPHP-SJLPKXTDSA-N 402.524 1.666 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 506185867 DHDDBNCYUASHJU-QVKFZJNVSA-N 423.510 1.508 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 506682355 NGEWDWJPNRPGJA-FQEVSTJZSA-N 423.535 1.993 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 508490541 BXVVMTSGCHZDPX-AWEZNQCLSA-N 402.503 1.431 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CCC 516830454 CBLMMZHVVNMHFE-UHFFFAOYSA-N 423.538 1.914 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2Cl)N(C)C)CC1 522309382 KWVPBKPXYFEMNS-GOSISDBHSA-N 407.946 1.572 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523306519 RKMRXMIPJVRALT-UHFFFAOYSA-N 408.479 1.739 30 10 HDEE COC[C@@](C)(C#N)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 536073640 ULWFFUYGYCQXFS-XHDPSFHLSA-N 403.298 1.904 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1 536357880 AHWSALUGKIDMBQ-UHFFFAOYSA-N 412.265 1.854 30 10 HDEE CCC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 540548122 CIJRQWMPRZPDQG-IRXDYDNUSA-N 403.552 1.448 30 10 HDEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 541255402 RVMIUEWFGYWLPT-LLVKDONJSA-N 406.468 1.435 30 10 HDEE C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 549321335 FUIUBUQXWPTLDU-UHFFFAOYSA-N 420.495 1.836 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 555288482 RHUDBSABWMMPSS-KRWDZBQOSA-N 415.494 1.880 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 558204742 BYMJGWHVLTZVAC-MAUKXSAKSA-N 411.462 1.828 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1[N+](=O)[O-] 558595459 CPHUQMGDNRBGLE-UHFFFAOYSA-N 401.467 1.521 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@@H](C)C(=O)OCCOC)cc21 586315659 YDJONWXUXNSNMT-OIJAAMDRSA-N 409.460 1.108 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[C@](F)(C#N)C1 588969832 NMDKBHSBLVRFEX-IBGZPJMESA-N 424.498 1.099 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 679525309 IOPZYUFEQYPBDS-UHFFFAOYSA-N 417.487 1.769 30 10 HDEE COc1ccc(N2CCC(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732458069 DQZDUQVOTHOFTR-VXPUYCOJSA-N 413.478 1.490 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2=O 732649542 YMCNOQFWMIXTIV-NVAPDCRFSA-N 401.511 1.322 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CCN1C1CC1 732664585 MCYDABAGVPGFBF-SFHVURJKSA-N 411.487 1.117 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC[C@H]2CCCO2)c1 732706953 SFZKNWRHORAZSB-QZTJIDSGSA-N 412.490 1.690 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)c1 747952533 AXXOHDVXAAMXJP-LPHOPBHVSA-N 413.478 1.191 30 10 HDEE C#CCN(C(=O)CCC(=O)c1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 750814979 KPRZDRNFZQLNBD-AWEZNQCLSA-N 423.487 1.324 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772908560 FTVKUELGIVIHGE-UHFFFAOYSA-N 416.506 1.918 30 10 HDEE N#Cc1c(F)cc(CNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1F 773354047 GHDOGTBAEIHRSF-QGZVFWFLSA-N 401.348 1.712 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774195880 VCRLVIPFBZITID-YOEHRIQHSA-N 405.476 1.536 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774212869 KXZUNZUDSUGPFB-LJQANCHMSA-N 419.547 1.493 30 10 HDEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCCCN3CCOCC3)c2)s1 774466229 CVNRXKYHLMVUHY-UHFFFAOYSA-N 412.515 1.741 30 10 HDEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 775535353 IZGAPZUBFBDWKM-IWKHNONTSA-N 400.454 1.947 30 10 HDEE CC[C@@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 781126090 LPRQQJMKZPDAIY-NSHDSACASA-N 417.281 1.929 30 10 HDEE C#CCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@H]3C2(C)C)CC1 783625369 RFDBVFKHTVXOKS-GSHUGGBRSA-N 405.539 1.862 30 10 HDEE COc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N(C)C)cc1OC 785719738 PBMMSOUMCVQLES-QGZVFWFLSA-N 404.492 1.938 30 10 HDEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCc3nnc4n3CCC4)c2)s1 785929604 CZRCZEPJOVTYBO-UHFFFAOYSA-N 406.471 1.757 30 10 HDEE C[C@@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 786943673 BRUJKEVURLZEOX-MFKMUULPSA-N 413.446 1.945 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 796132957 QNFXSDBLXMFVGB-IEBWSBKVSA-N 406.552 1.986 30 10 HDEE CN(C(=O)[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)c1ccccc1 797454183 IEVJRWYEHAHULC-RAJOGRCSSA-N 411.462 1.207 30 10 HDEE C[C@@H](C(=O)O[C@H]1CCc2c(OCCCS(C)(=O)=O)cccc21)n1cnc(C#N)n1 798834149 UPFHHCZQZAMVJO-GUYCJALGSA-N 418.475 1.755 30 10 HDEE C[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCN1C(=O)OC(C)(C)C 804160218 SMXLWSMRIVVORB-ZDUSSCGKSA-N 404.442 1.781 30 10 HDEE Cc1cc(C#N)nc(N2CCC[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 804370082 HZBBHXDTBKDDTN-MRXNPFEDSA-N 414.510 1.952 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 806535141 MWMSQFIAKJIBSS-SJORKVTESA-N 420.473 1.584 30 10 HDEE N#C[C@@H](C(=O)Cc1cscc1Br)C(=O)N1CCS(=O)(=O)CC1 815947283 VPYRLSPRYQAUHX-JTQLQIEISA-N 405.295 1.019 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)c1 816772814 NJYFHTOSKJQIJX-UHFFFAOYSA-N 415.519 1.338 30 10 HDEE CC(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1c[nH]c2ccccc12 1084203119 AHMFZYOEITUPAV-UHFFFAOYSA-N 422.493 1.862 30 10 HDEE Cn1ccc(N2CCC[C@H](NC(=O)Cc3ccc(Br)cc3C#N)C2=O)n1 1126465093 UYXPPKFYSBBMNB-HNNXBMFYSA-N 416.279 1.909 30 10 HDEE C#C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(Br)cc1 1129730867 MQUDWDJXGAMWQV-HNNXBMFYSA-N 404.268 1.822 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1OC(F)F 1132452281 PXIGLNCYEVWTNX-AWEZNQCLSA-N 409.389 1.808 30 10 HDEE Cn1cc(C(C)(C)NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1142969817 BLLDXHKNQFWLQO-UHFFFAOYSA-N 418.523 1.466 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C1CCCCC1 1147588133 KLZATPPWKZKQJH-MAUKXSAKSA-N 404.536 1.748 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C(C)C)c1 1159139371 IVIREIHKLRNDAL-UYAOXDASSA-N 403.548 1.933 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1179653381 YGHMYFSGYOPVJD-GQIGUUNPSA-N 416.503 1.327 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1180201606 VPVNPCUBCWCIGH-OAQYLSRUSA-N 418.494 1.582 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OC3CCCC3)c2)CC1 1197728007 BOEIBOJSXRCWHH-UHFFFAOYSA-N 406.508 1.625 30 10 HDEE N#Cc1cn(CCNC(=O)NCCSCc2ccnc(Cl)c2)c(=O)nc1O 1233942926 AXDYKCLKKHLVGK-UHFFFAOYSA-N 408.871 1.102 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1235201393 BZRVWUOPBRJIPY-JJXSEGSLSA-N 424.498 1.411 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1280419794 BDCXNGLOEFSOKV-UHFFFAOYSA-N 417.325 1.811 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286398528 KPQYQABGRTVDNM-XLAORIBOSA-N 422.551 1.429 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCSCC1 1286419121 NGUHXXVTXIZIRT-UHFFFAOYSA-N 416.595 1.708 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1286445015 DXOMGTAYWYZMDT-QGZVFWFLSA-N 417.535 1.588 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)c2cc[nH]n2)CC1 1286649247 RADXBKKPZVFTBD-UHFFFAOYSA-N 412.523 1.943 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CC2)CC1 1286664625 ZGPXXPMGFJGRKE-MRXNPFEDSA-N 409.556 1.814 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1286758288 JBKKTXVSKDMLAT-QGZVFWFLSA-N 421.567 1.980 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1286966147 XQLOOQQIZOZGMQ-RMYFCYLKSA-N 406.450 1.462 30 10 HDEE C#CCCCCCC(=O)N1C[C@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@]2(C)C1 1290842318 GDADQVLPVZQBFN-WIRGQOOTSA-N 402.535 1.929 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1296946465 HASIGPVEMVBJFC-INIZCTEOSA-N 401.467 1.190 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)NCC(=O)NCC#N)cs2)CC1 1297545532 MBUCYQAFXBBWAK-UHFFFAOYSA-N 407.496 1.627 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1297779101 XDNCKQKTKACKJU-GJZGRUSLSA-N 418.523 1.370 30 10 HDEE CN(Cc1cnccn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1298408020 GRKQQOHAMQSCPM-VHEBQXMUSA-N 424.509 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1300313423 HQXYAGBFQPNHHK-BFUOFWGJSA-N 424.473 1.155 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300338247 BMORSCPQGLKJNA-INIZCTEOSA-N 409.494 1.821 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1300531523 CXGITDHJUFJFQY-FQEVSTJZSA-N 413.485 1.595 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1300621561 NFUIGRQKDBAIFA-MOPGFXCFSA-N 416.570 1.826 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCC(=O)NC2CC2)CC1 1300691420 YCLLCZFHQUTPEJ-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2oc(CC)nc2C)CC1 1300703899 VTUSYURNZQYGJJ-UHFFFAOYSA-N 405.506 1.926 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1301271587 XGYGPFXUSKWHAG-UHFFFAOYSA-N 419.555 1.647 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301617783 HNUOSIIXZOCDHL-SFHVURJKSA-N 418.611 1.893 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1302264429 FRNMHJMLYMDOCR-BFUOFWGJSA-N 421.477 1.586 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1302786267 DPVJXFCOSVIYBW-MJGOQNOKSA-N 424.505 1.869 30 10 HDEE COc1cccc(C(=O)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1302932843 IHQCKKBADJVLSR-UHFFFAOYSA-N 415.471 1.513 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1)n1cnc(C#N)n1 1304264268 MSZUIQCAOBZDST-SJCJKPOMSA-N 404.268 1.983 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1304270617 GRYDVUXNPNNGHT-OXJNMPFZSA-N 421.519 1.034 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)n(Cc2ccco2)c1C 1308162942 JCUHXMMAIUNUGX-DLBZAZTESA-N 400.479 1.479 30 10 HDEE O=C(NC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1)Oc1ccccc1 1318916161 DXLFOGOFLWQINM-FMQUCBEESA-N 412.446 1.683 30 10 HDEE O=C(CNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)NCC(F)(F)F 1320330925 VPJRTRDRGIWKGD-UHFFFAOYSA-N 412.237 1.240 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1358893227 QHERHKCHQJQYGK-WGLILOHCSA-N 422.464 1.992 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358962908 ZAPBCODSSVMSRX-DFGXFYAUSA-N 406.552 1.986 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCOC)CC1 1359123964 ZYIXOHKODKBBOK-UHFFFAOYSA-N 418.542 1.346 30 10 HDEE C=CCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359290310 VCZIDOPEEWCANC-GHTZIAJQSA-N 405.543 1.663 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccn2)CC1 1359295162 RWVTVWOQBKMKHO-UHFFFAOYSA-N 408.466 1.265 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359301002 ONUNXCRJYQFTTC-KRWDZBQOSA-N 424.505 1.246 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359735298 JXDZGCOTVBIQOJ-FTFAEBDGSA-N 414.510 1.933 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3cccc(Br)c3)cc2S1(=O)=O 1435750133 PZKLNTNACTWYBS-CYBMUJFWSA-N 424.280 1.274 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C 1460605416 RWAPFENYAJCOSV-KRWDZBQOSA-N 421.519 1.212 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 1463990710 BEFCMLQGKZNCGX-HFTRVMKXSA-N 424.519 1.628 30 10 HDEE C=C1CCC(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1464467116 XQJZYMSQNBUBQS-UHFFFAOYSA-N 414.549 1.732 30 10 HDEE COc1cc(C(=O)N(C)C)ccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1465488036 CMYPGMWLKJOIQZ-UHFFFAOYSA-N 416.459 1.186 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)CC1 1467204000 KXHPDRBBCYEUSM-UHFFFAOYSA-N 407.268 1.999 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)s1 1467619131 YULWZPFEKLJDBD-AWEZNQCLSA-N 422.454 1.908 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1468500319 KGPZXOSIOVOABC-OAHLLOKOSA-N 416.544 1.504 30 10 HDEE CC(C)(C)OC(=O)N1CCCc2cc(CNC(=O)NCC(=O)NCC#N)ccc21 1470092526 AHYVXKKALXOLME-UHFFFAOYSA-N 401.467 1.813 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1 1470398368 WTVHXYBTEWMHIW-KRWDZBQOSA-N 409.414 1.620 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CCN(C)CC1 1471147130 AHNHUYAUBYONCO-GOSISDBHSA-N 420.554 1.448 30 10 HDEE C#CC[C@]1(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1471631302 KSMVROKZQCJMNJ-HXUWFJFHSA-N 414.466 1.169 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1472050230 MRBWHGNISBFYCC-INIZCTEOSA-N 421.519 1.680 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 1473545195 DMLQQPQIUNOLHA-RBUKOAKNSA-N 408.468 1.384 30 10 HDEE COCCN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C(C)(C)C1 1473604502 PBINOZQANRUGKN-GOSISDBHSA-N 419.595 1.500 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(CNC(=O)NCC#CCO)cc2)CC1 1479160806 GJMJZICFVJEHGI-UHFFFAOYSA-N 416.522 1.534 30 10 HDEE C=C(C)CCC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1495116261 PMYCWZNHEUCYNV-SGTQZHETSA-N 403.523 1.237 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCOC1 1504888000 ZAQSVJOUFNWYPU-GOSISDBHSA-N 406.512 1.152 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504899310 DGRMZUYQCOLRPV-YWZLYKJASA-N 413.457 1.277 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1507546307 QIRZCXSPZBSVDM-AWEZNQCLSA-N 409.487 1.393 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507559845 WUMHDKYIQTVXEW-UHFFFAOYSA-N 423.565 1.832 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507571595 HDWQKKZYZKRMLH-GOSISDBHSA-N 402.543 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1507655258 DHLWGRVBGLRDIB-INIZCTEOSA-N 416.478 1.504 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1507691451 BPWNCCWVHNFOBH-INIZCTEOSA-N 416.551 1.588 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1507750420 UUIRIIZOJJSVIC-CYBMUJFWSA-N 400.430 1.813 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507861169 CJBLFIMGSSQDMP-INIZCTEOSA-N 402.886 1.920 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1508075880 BSPKHHCLBNEMQA-UHFFFAOYSA-N 421.505 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508140414 IIMUQLDNAYTHTL-GOSISDBHSA-N 409.512 1.177 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC(C)(C)OC[C@@H]1C 1508145374 ZXJPUKAGTVKTIM-INIZCTEOSA-N 419.551 1.868 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCc2ccn(C)n2)CCOC1 1508410815 GKKGGMXAWVVSIV-OXJNMPFZSA-N 401.515 1.891 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1512394659 NNSKEHIQHIDSAE-GPMSIDNRSA-N 424.505 1.821 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)ccc2-n2cnnn2)CC1 1519095750 PMDSKROXUJNNOG-UHFFFAOYSA-N 417.267 1.026 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CCCC2)nnc1N1CCOCC1 1521422525 CBLWUFXQMXGDNR-VHEBQXMUSA-N 400.483 1.374 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C3CC3)[C@@H](C)C#N)c2)CC1 1527918189 HWMLCGBFVCZNOB-AWEZNQCLSA-N 404.492 1.056 30 10 HDEE C#CC1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1529676214 UNBVEUCSPKDNMP-MRXNPFEDSA-N 402.472 1.496 30 10 HDEE N#C[C@@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCCOC1 1531021646 XMVPEEIYXIOLFD-KRWDZBQOSA-N 413.883 1.620 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1531182039 RITXQKFJBXZLOZ-XHSDSOJGSA-N 422.547 1.697 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1539012057 DZQQWRRBRLKORZ-RDJZCZTQSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1539211279 KRVUKUXHUMCTFQ-MRXNPFEDSA-N 418.519 1.617 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccn(CC)c1=O)[C@@H]1CCS(=O)(=O)C1 1539216659 VFBAECFQTZKNBE-QGZVFWFLSA-N 415.519 1.012 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539219010 BAWLXVPHNGYBAZ-CVEARBPZSA-N 412.581 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCC1(O)CCOCC1 1539232904 UJYIEOCOFDCGOY-UHFFFAOYSA-N 401.511 1.201 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC=C)cc2)CC1 1539427972 KYCFBTIFFAIYEB-UHFFFAOYSA-N 422.533 1.785 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)C2CC2)CC1 1539436046 HLOWSMNWOTYCQR-FQEVSTJZSA-N 400.914 1.910 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)CC1 1539847980 JVLWKUKOFBXFHV-HNNXBMFYSA-N 407.540 1.382 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCOC1 1540194682 XWXYNWVEXCVYML-FQEVSTJZSA-N 402.451 1.464 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540876653 XONWBAQEOIDLOH-QRWLVFNGSA-N 407.515 1.094 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1540920198 QUZBIQZJUJJNTK-MRXNPFEDSA-N 403.556 1.774 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1541678639 FXGXFXGKHIHSAB-HOTGVXAUSA-N 403.531 1.265 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1544837695 KCYRDEORZCDJEM-CABCVRRESA-N 416.950 1.726 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 1556382190 YJRCCLCNHNSZCF-UHFFFAOYSA-N 409.439 1.561 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1557675209 KEPVYNNPUCJOEW-MRXNPFEDSA-N 406.508 1.255 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1558111168 VVRVVHCABFXCQJ-GOSISDBHSA-N 408.520 1.733 30 10 HDEE N#Cc1c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)sc2c1CCCCC2 1560160121 OELAECUOVDTWDH-CYBMUJFWSA-N 411.549 1.309 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 1561564960 FGGBBDVHHAEXBT-TZMCWYRMSA-N 408.423 1.917 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ncccc2C)c1 1561637705 GLIWTVJOAPRRFW-UHFFFAOYSA-N 402.476 1.613 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OC 1561929307 OOSQIVYEBCHWHR-KRWDZBQOSA-N 410.492 1.825 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 1563967958 WORXJKPTPOYNPS-GUDVDZBRSA-N 412.538 1.773 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 1568955758 CIAUASPAYUPBBO-XMSQKQJNSA-N 412.490 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCOCC1 1588180414 DZLPGKNOVXVERH-INIZCTEOSA-N 407.540 1.168 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N(C)C)CC1 1588954247 BUEYFMSBPHUSEZ-MRXNPFEDSA-N 414.579 1.846 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1594567533 PHMYGGUZLSHHNM-OAHLLOKOSA-N 411.466 1.923 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1594813121 OUZKORZPAJQTAQ-CQSZACIVSA-N 411.553 1.866 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(COCC)n1CC(=O)N1CCOCC1 1595165528 JJIZVLSYUKXTND-UHFFFAOYSA-N 405.524 1.928 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@H]2C1 1595556166 PQVLKIHFXPZZGP-LJQANCHMSA-N 410.522 1.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3ccnc32)C1 1595664799 KFQYAKBUPHGUIO-IRXDYDNUSA-N 413.526 1.972 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3cc(Br)cnc3N)cc2)c1N 1608370595 BSAUXMWLVCRVEK-UHFFFAOYSA-N 412.251 1.996 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1616734939 LRPKIWALQUMWJC-UHFFFAOYSA-N 420.531 1.891 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CCO1 1620356101 SBWSGPRZMPZDJR-MSOLQXFVSA-N 410.478 1.242 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1622328435 YLPQTGPDQVFJTJ-IFXJQAMLSA-N 406.487 1.899 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)OCC 1622506477 OCZFNNRTMVFTKI-MRXNPFEDSA-N 408.480 1.570 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)[C@H](C#N)C2(SC)CC2)C1=O 1624877652 ZXMRCVVPCGSJTI-BEFAXECRSA-N 416.503 1.708 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 1625580339 BOQJUDMBTYMSKP-SVGDTCPJSA-N 405.476 1.796 30 10 HDEE N#CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCCC1 1628338168 BBZTZALGHFGGES-HNNXBMFYSA-N 417.487 1.824 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1629245821 QHKKQTVNNWLEQZ-CZUORRHYSA-N 414.466 1.941 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 1630018060 LXNYCNKKVJYETA-VFNWGFHPSA-N 414.462 1.986 30 10 HDEE COc1ccc([C@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1631748332 CGFQPAJBVHDAIR-LIRRHRJNSA-N 417.487 1.426 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1636140051 YEGYTSNWCILULP-OQIJWPOYSA-N 415.490 1.783 30 10 HDEE CC(C)OC(=O)[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1636851068 JXQGNVYIJLDTDF-AWEZNQCLSA-N 409.508 1.742 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@H]1CCCN(CC#N)C1 1638390177 QHRALZSBZLVJQV-SJLPKXTDSA-N 423.558 1.394 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1638474359 JWOLZAFYRRRQRV-UHFFFAOYSA-N 417.512 1.907 30 10 HDEE COC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)C 1639340103 KGONPHYLYZRYEN-HNNXBMFYSA-N 409.508 1.599 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)cc1S(=O)(=O)NCC#N 1639629693 AZAOCTRYMXDLFP-MSOLQXFVSA-N 420.535 1.026 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)COc2ccc(Br)cc2)c1 1640830799 SBRJIHIJJNSSNG-UHFFFAOYSA-N 405.204 1.917 30 10 HDEE COC[C@H]1CCCN1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1640831072 BJHNMIPGPIMFSF-QGZVFWFLSA-N 406.508 1.101 30 10 HDEE Cc1cn2c(CNC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c(C)nc2s1 1641347776 HTSSCVCTKPLUGQ-CYBMUJFWSA-N 417.516 1.868 30 10 HDEE CCCN(C(=O)c1cccs1)C1CCN(c2[nH]c(=O)n(C)c(=O)c2C#N)CC1 1642410934 ABHJBHGCPYEWKC-UHFFFAOYSA-N 401.492 1.528 30 10 HDEE C=CCNc1ncc(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)s1 1642454540 JNLPCWGWBNGVGQ-ZDUSSCGKSA-N 401.558 1.426 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 1642609283 LOHAOCCHHYWHTC-UHFFFAOYSA-N 424.544 1.124 30 10 HDEE C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1643725451 BEJZUMYDRDOXEO-RDTXWAMCSA-N 401.488 1.954 30 10 HDEE C#CCO[C@H](C)C(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645523566 ZEAPNASFRUAXLQ-DLBZAZTESA-N 409.527 1.731 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](Cn3ccnn3)C2)CC1 1647729269 WNMKUDGQCWFOSE-YLJYHZDGSA-N 411.485 1.148 30 10 HDEE CCOC(=O)Cc1csc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1651728214 QPLFIEBTZJULIY-CQSZACIVSA-N 412.471 1.790 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1 1653175884 QRNBORLBORJSCY-GOSISDBHSA-N 421.563 1.540 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2ccc(C(C)C)cc2)c(=O)n1C1CC1 1656801580 NSHOZTHSTKYEHJ-UHFFFAOYSA-N 410.474 1.844 30 10 HDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 1659933657 FANUWDGICPCXJK-OAHLLOKOSA-N 419.425 1.894 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OC 1664237671 LHBBCNWZTIFDKW-CQSZACIVSA-N 403.522 1.883 30 10 HDEE C#CCCCS(=O)(=O)N1CCC(n2nncc2I)CC1 1664466097 ADOFZQOLRLRZDY-UHFFFAOYSA-N 408.265 1.263 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 1665882303 OOILYWCPZMSUPR-JMERFSKESA-N 405.476 1.220 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1680957348 DYHOAQQEBBYHNI-MRXNPFEDSA-N 407.515 1.695 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1685470183 HETYNTZZPAMJKJ-YQQQUEKLSA-N 402.520 1.494 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1689875471 SVYSQOCRYCLDIP-OAHLLOKOSA-N 418.523 1.598 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NCCC)CC1 1689913377 NEYRGCJRNMGCET-OAHLLOKOSA-N 424.571 1.044 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689989977 KHYSLZZKEIRDQI-XLIONFOSSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1690047081 LEMUHIYNQBZFBY-ZWKOTPCHSA-N 415.563 1.127 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCOCC1 1690056033 CJNRILNCRUOCNN-ROUUACIJSA-N 402.495 1.007 30 10 HDEE C=C(C)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690298351 VMDGMMZXVDXARG-OAQYLSRUSA-N 418.542 1.890 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)on2)CC1 1690667796 IMIYEKBGNIGCRR-UHFFFAOYSA-N 424.509 1.204 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690674407 ZPJBEFHQIMOMTF-MSOLQXFVSA-N 403.527 1.697 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690744360 NJBHDXVYCNDWGI-QGZVFWFLSA-N 422.599 1.302 30 10 HDEE CC(C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1691370690 AMCADCROGHRLTH-UHFFFAOYSA-N 405.462 1.570 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1692854629 SNZMPQUVQZMULR-QFIPXVFZSA-N 405.506 1.780 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1698060582 CXBSDVXJOJTQFX-AWEZNQCLSA-N 424.552 1.360 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOC1=O 1698150606 ONBSXFMEIRYGOQ-JXFKEZNVSA-N 420.514 1.974 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705529361 GGRRNIFZFCNWCW-QGZVFWFLSA-N 414.535 1.758 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705559432 AOGDUIQDXWUPCI-LSDHHAIUSA-N 409.556 1.191 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1 1705573265 CSSLQSWZXZLZGQ-AWEZNQCLSA-N 405.911 1.663 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1705752880 JWJHPZQRFJWZSN-ZNMIVQPWSA-N 424.933 1.349 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1705900447 DMAGNHQAZJVTDW-CQSZACIVSA-N 414.495 1.015 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC[C@H]2C)C1 1705926805 KYUKHPWDRPXGKW-QUCCMNQESA-N 412.538 1.766 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCCC2)C1 1705929806 YGAVNBIZIZESTI-RTBURBONSA-N 416.570 1.914 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705948177 JWTZLOXUWAQFLR-DLBZAZTESA-N 415.567 1.774 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1706571381 DWWYRSIRBJQTSQ-UHFFFAOYSA-N 405.510 1.914 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)CC1 1706937274 HVFODOIQZZSWHE-CVEARBPZSA-N 405.524 1.655 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1711943585 HRNPSSCZWOYUTF-LIRRHRJNSA-N 419.507 1.099 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CCCOCC=C)CC1 1722167128 QTTLNWVTLXQHJB-JRHPMUGDSA-N 400.519 1.845 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722332417 KRNQNGLQDMRCQL-HZPDHXFCSA-N 407.540 1.089 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc2n1CCCCC2 1722358274 FQCFZBAIRXQYDZ-LPHOPBHVSA-N 413.526 1.632 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1722381741 BADVMOUYXUHQME-GOSISDBHSA-N 417.579 1.518 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2nnc(C)s2)CC1 1722443949 CYVZDQKNKJXSJB-ZDUSSCGKSA-N 401.540 1.966 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(OC)c2OC)CC1 1722447140 HRNVVCKORRUHRC-UHFFFAOYSA-N 411.506 1.872 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1722449990 XJKWWLNNQPGBAU-MRXNPFEDSA-N 423.477 1.071 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722459529 MEVCCLANFAQWOE-FGTMMUONSA-N 407.584 1.694 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722538772 VYDFDRXPDVTACL-VQTJNVASSA-N 418.586 1.939 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCOCC2)CC1 1722569009 JMEBXINKKATLFL-GOSISDBHSA-N 402.543 1.525 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)cc1F 1722691826 ALMPVWKEPKDGOR-UHFFFAOYSA-N 406.437 1.633 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1722705565 DPZARTFOLWDOHO-FQEVSTJZSA-N 403.458 1.354 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722743431 YIFWFCHDCQTXRO-LJQANCHMSA-N 406.556 1.282 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCNS(C)(=O)=O)cc1 1730050911 VYCDPWNTGLZFLY-AWEZNQCLSA-N 406.512 1.489 30 10 HDEE COCCN(C)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1730733684 BELXCUVHHNJEQW-UHFFFAOYSA-N 422.537 1.835 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCO[C@H]1C(C)C 1730953755 ALQZRNVTCVCEHT-LFDJNIOPSA-N 419.526 1.792 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1731020492 BPNYPMOERMYVDO-JGTBNHKDSA-N 406.899 1.633 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCN(C)C1 1740601592 FYFSXRXBEIJLFC-SFHVURJKSA-N 404.312 1.844 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 1740616428 AYIWKAOJQFHDGP-KRWDZBQOSA-N 418.519 1.669 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740637792 HYWVQTBAXMQAOV-CVEARBPZSA-N 411.428 1.118 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1740640565 PUTUOQBVAOIULS-KRWDZBQOSA-N 419.551 1.264 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1740669570 CRXYJACRSFLEHL-SJORKVTESA-N 411.497 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(CC(C)C)C1 1740684449 RMRNSWKFZFDQSV-RTBURBONSA-N 416.570 1.683 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CC)CCS(C)(=O)=O 1740756277 GQEBUQVPMUXAHI-NVXWUHKLSA-N 420.539 1.587 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1740882852 ADZUDBAUOPKKQD-UHFFFAOYSA-N 406.512 1.014 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@@H]1C 1740953701 OOSFSTWFGKIQGE-GJZGRUSLSA-N 417.535 1.886 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740996467 NIMRHLHRFLBESH-KKUMJFAQSA-N 417.601 1.669 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1748269250 GKHIDYQRWDVOIV-OAHLLOKOSA-N 410.251 1.614 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOC1=O 1748681631 GZQWUBBRRHVSIY-MRXNPFEDSA-N 407.478 1.817 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811063 ATLCPJCZJIIVNU-BEFAXECRSA-N 405.524 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC 1748831342 LKWQDBISWUIYRV-UHFFFAOYSA-N 423.445 1.169 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CN(C)C1=O 1748895342 WKGFLPGESHMIPA-QHCPKHFHSA-N 405.502 1.819 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCSC(F)(F)F)CC1 1748971729 ZZIKBGWKJMRROY-UHFFFAOYSA-N 416.473 1.522 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)cc2F)CC1 1748990863 MWZKHSOOPFWTMR-QGZVFWFLSA-N 416.888 1.825 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCCCO1 1749053993 NPDBQWKYBJOBLE-JTDSTZFVSA-N 409.556 1.840 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749430838 XKGSKDUVJRWZQA-OAHLLOKOSA-N 410.544 1.056 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(CN2CCOCC2)CC1 1749651332 SKNZUCMECOTXDE-KRWDZBQOSA-N 404.559 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](NC(=O)CC)C1 1749721962 XQSABRFLMUDDCM-HOTGVXAUSA-N 411.572 1.887 30 10 HDEE CC(C)N(C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1750884302 BYKDVBZGRGTLJG-KRWDZBQOSA-N 408.572 1.650 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760143775 RCQQOTVWTMDNNO-UTKZUKDTSA-N 401.511 1.702 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1760155136 QYEUYAWHRRBFQL-KRWDZBQOSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760252467 QLRSOMJOGBYUIB-ZWKOTPCHSA-N 423.521 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)NCCC)CC1 1760270600 ZVHHOWAIMSZLKQ-UHFFFAOYSA-N 400.527 1.428 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1760521201 MIDMPZFEOYIFOV-UHFFFAOYSA-N 400.527 1.829 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760523718 GQMQFOLTSFYUIW-UHFFFAOYSA-N 404.515 1.762 30 10 HDEE Cc1cc(C)n(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)n1 1762470539 CMHVXSYNVPOZNZ-FQEVSTJZSA-N 414.489 1.860 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1763088190 MJUKARGUEXAFAR-APWZRJJASA-N 423.521 1.062 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1764186952 ACVUNQXZYMVSKV-PEGYKEAPSA-N 422.555 1.226 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CO)c1 1770216361 AKOGFCDYHPSLQB-OTWHNJEPSA-N 413.478 1.271 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1nccc(C(F)F)n1 1771111312 GSASMBIWDDBBDX-UHFFFAOYSA-N 415.408 1.877 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C(C)C)N1CCCC1 1771222482 IQUXUQFORSUJBP-GUDVDZBRSA-N 420.558 1.851 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)C1 1771528775 UWQRSAMXTYPSJV-FQEVSTJZSA-N 412.473 1.853 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CC1 1771535264 GOMYPNHARBKXTD-KRWDZBQOSA-N 415.519 1.868 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1CC 1772516120 ANHBGKPJGYTYHK-UHFFFAOYSA-N 414.473 1.851 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN(S(=O)(=O)c2cccnc2)C1 1772791594 BEHOLLZHOBZCMF-ZDUSSCGKSA-N 415.427 1.237 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Br)cc1 1848677382 KQVACJZMXMRIQK-UHFFFAOYSA-N 408.281 1.620 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 1848967100 SWGOQURAEHKJJB-GOSISDBHSA-N 415.471 1.639 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CC(=O)N(C)C1 1849004250 VPOGKWOPKYJOAW-RBUKOAKNSA-N 402.491 1.516 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC2(CC1)C[C@H]2C#N 1849222257 MRBWEHDMAPOEIY-DLBZAZTESA-N 404.536 1.944 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C#N)C2)C(C)C)c1C 1850807864 AOWWFNTYQIDBRY-MSOLQXFVSA-N 407.536 1.974 30 10 HDEE N#CCC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3c(F)cccc3Cl)C2=O)CC1 1851144014 APGGWOVXIYEZFF-UHFFFAOYSA-N 420.828 1.922 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2cccnc2N2CCC[C@H](C(=O)OCC)C2)CC1=O 1853302643 QTKAHVIXOBYSQK-JKSUJKDBSA-N 400.479 1.834 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(OC)cc2)C1=O 1853827444 CLNLSCJTTOCYRE-MOPGFXCFSA-N 415.490 1.310 30 10 HDEE Cc1cccc(OCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1854019150 YJJRARAFQTYIQL-KRWDZBQOSA-N 402.428 1.793 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)C2CC3(CCOCC3)C2)C1=O 1854082470 QTEKGMCNPMWPKR-MOPGFXCFSA-N 417.550 1.820 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ncc(Cl)cn2)C1=O 1854248082 AAJPHZJOQQZPEM-CABCVRRESA-N 405.886 1.370 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)C2CC(F)(F)C2)C1=O 1854914069 YVULSOKHSXBACI-INIZCTEOSA-N 418.448 1.422 30 10 HDEE C[C@H](CC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O)n1cnc2ccccc21 1855018978 GRCPGBQDZLJUQN-QZTJIDSGSA-N 408.506 1.646 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3c2OCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855169297 LYWFGLSZLGXCIG-CQSZACIVSA-N 407.430 1.093 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCCN3C)C3(CCCC3)C2=O)CC1=O 1855757064 UQVGRFIPTIFDTO-OALUTQOASA-N 416.566 1.489 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)CC2)nn1 1855866284 BFHSRKKRWDMRNJ-GOSISDBHSA-N 410.522 1.612 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)C1 1855879346 KXYHRMGXDFEHRY-WMZOPIPTSA-N 412.490 1.255 30 10 HDEE COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1855998820 FJVALNYGNSSWOU-HUUCEWRRSA-N 405.476 1.101 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C1(C)C 1856768357 WHURJVCFNIKGAY-OAHLLOKOSA-N 424.567 1.332 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C(=O)C2)C1 1856839615 JOGJVYWOWBKBES-RTBURBONSA-N 414.506 1.184 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1856867541 ZIYVDGNJFIFGOE-IRXDYDNUSA-N 415.490 1.504 30 10 HDEE COc1ccc(OCC(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)c(OC)n1 1857193340 DQHNXLVFRVHIQM-INIZCTEOSA-N 416.478 1.478 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)CC1 1857211974 DXZXSDWYSVDHKZ-MJGOQNOKSA-N 412.490 1.864 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857276971 LSZNRQKGGVQEOK-QAPCUYQASA-N 403.454 1.298 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)c1 1857441715 BCDVGLZNXHRCCP-QZTJIDSGSA-N 409.421 1.772 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(C=O)CC2)c2ccccn12 1858243170 ULYDKCXDBBCFJU-UHFFFAOYSA-N 402.414 1.372 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)C1CCN(Cc2ccccc2Cl)CC1 1861176897 MYODCJPZTLCGQP-PKOBYXMFSA-N 405.926 1.816 30 10 HDEE C=CCNC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861588443 FWWYTWHAHYBBRZ-INIZCTEOSA-N 417.506 1.292 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)[C@@H]2CC(=O)N(c3ccc(N4CCCC4)cc3)C2)c1C#N 1866278663 JYLRDSGNFDZOAN-CQSZACIVSA-N 403.446 1.361 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1cc(OC)ccc1OC 1872676746 UYHIDFJKMINHAE-UHFFFAOYSA-N 402.407 1.919 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)n2c1 1889338358 ZNEIRYPTMLWBAK-UHFFFAOYSA-N 409.534 1.515 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3F)CC2)CC1 1890148276 JXGRSPADVGQEEH-UHFFFAOYSA-N 417.525 1.853 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CC(COc4cccnc4C#N)C3)nn2)cc1 1891435844 ULYIJGCASQFREX-UHFFFAOYSA-N 404.430 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1897671540 CJENYGVWBUJTNB-QLFBSQMISA-N 424.498 1.328 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[S@@](C)(=O)=NS(=O)(=O)N1CC(C#N)C1)C(C)(C)C 2174781071 BNHJMVWYROKJQN-ZBSNKRKSSA-N 422.573 1.724 30 10 HDEE COC[C@@]1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCCN(C(=O)OC(C)(C)C)C1 2174781744 IVGQMOZHWSWEAK-WMLDXEAASA-N 402.517 1.082 30 10 HDEE COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174785238 WSPIGPUYXBHTDK-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CC1(CNS(=O)(=O)CC2(C#N)CCOCC2)CC(NC(=O)OC(C)(C)C)C1 2174788286 CSTVXIWMNXVPNV-UHFFFAOYSA-N 401.529 1.920 30 10 HDEE CC(C)S(=O)(=O)NC1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2235427840 UFVQQRSKUYHANR-UHFFFAOYSA-N 400.375 1.559 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)[C@H]3C[C@H](C(C)(C)C)C3)s[nH]2)OC1(C)C 2240465232 VLTYPZGOLVWQLL-XYPYZODXSA-N 401.363 1.826 30 10 HDEE CCN(C1CNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354972 DLCWHYDHPBSASI-UHFFFAOYSA-N 406.766 1.683 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](S(N)(=O)=O)C3)c2Cl)OC1(C)C 2281938176 KMBNOBDEZYRSOL-VIFPVBQESA-N 420.749 1.204 30 10 HDEE CO[C@H]1C[C@@H](CO)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282064341 YKBZCORATOJNJE-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CC1(C)CC[C@@H](N)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338240 MANYIWPZDASAEO-CYBMUJFWSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@]3(=O)CC[C@H](CN)C3)c2)OC1(C)C 2282343709 HETJMWVKCXLCTJ-NDHGSNPTSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCCCN2)OC1(C)C 2282491329 LGVRSMWGHDTBNQ-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282832383 OEIFSLIAIFKINR-SSINHNECSA-N 405.322 1.170 30 10 HDEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282838683 SNKVEJMKWMHWOZ-VXGBXAGGSA-N 402.347 1.381 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CN)C1 2282847774 DVRLEJFFEZUSFD-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1O 2282857910 OMZNPQMQDADZFK-QWHCGFSZSA-N 401.359 1.875 30 10 HDEE CNC[C@H](C)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282872243 SUGZZZBIDJYPOP-LBPRGKRZSA-N 402.753 1.773 30 10 HDEE C=C[C@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284395492 LWWQAGWVXLPZAU-NSHDSACASA-N 401.315 1.582 30 10 HDEE COC(=O)NC[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2286132619 ZRHZGDHBFJPWSH-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365198509 GJXOJTKZYGKTSG-XAUUPUKJSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]2CC[C@@H]21 2365201191 GGMXHNIKHLBWSI-XTDOFWJNSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367790873 IBKDPIOUWRPXBP-BZUAXINKSA-N 400.541 1.747 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COC)NC(=O)OC(C)(C)C 2367793137 UHXTZTQHJGAMSK-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367799169 YHNCHXJGCWUEAU-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC1(C)OB(c2csc(CN3CCCC[C@H]3CS(C)(=O)=O)n2)OC1(C)C 2368855635 VWVJIHWUAXEFEL-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 6237099 MHOICDDKHAZNNQ-UHFFFAOYSA-N 400.416 1.613 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccc3)o2)c1=O 101350984 CBZLVDNRLKYLLT-UHFFFAOYSA-N 413.459 1.736 30 10 HDEE COc1cc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCNC(C)=O)ccc1O 103114487 SDSQVMOJDYZDBZ-LAFOYAEKSA-N 410.426 1.959 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1 219944804 ORISFEQZCQPRNE-YOEHRIQHSA-N 407.430 1.390 30 10 HDEE N#CCCN(CCC#N)C(=O)CSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 304964835 LMWQHVZTFCPEDX-MRXNPFEDSA-N 418.475 1.755 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 437477349 TXVITBHOGHPXIM-DZVNLGKHSA-N 412.552 1.194 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(Cl)cc1C#N 438803280 GEJNFRPLMKGZNN-JTQLQIEISA-N 411.892 1.999 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 438843435 RLIUKGKMGZFIHN-UHFFFAOYSA-N 411.483 1.868 30 10 HDEE C=CC[C@@H](CC)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 440271507 SSXDQMRPYAPUOK-OAHLLOKOSA-N 408.524 1.032 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(Cc3ncc[nH]3)CC2)CC1 446636268 FMWHLCGTHSNWJM-UHFFFAOYSA-N 409.494 1.894 30 10 HDEE COc1cc(CNC(=O)NCCOc2ccc(S(C)(=O)=O)cc2)ccc1C#N 460257589 CDKXWDFWDANKRC-UHFFFAOYSA-N 403.460 1.849 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 462458261 TTXLQHPFZYWKTL-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCOc2cccc(C(N)=O)c2)cc1 468711350 LNVUYCVYGLVXOX-SFHVURJKSA-N 424.482 1.966 30 10 HDEE COc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnc2c1cnn2C 486020117 YHLSXWANLFLPSV-KRWDZBQOSA-N 404.430 1.379 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500973802 SDQKNUSOALGBNH-HNNXBMFYSA-N 411.483 1.929 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nnn(-c3ccccc3F)c2C(F)(F)F)CC1 515016562 LQNXVAXHWVRHAO-UHFFFAOYSA-N 410.331 1.623 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)cc2)CC1 537453711 NQKFHFRULJVJDI-UHFFFAOYSA-N 400.460 1.518 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543655824 CRYKSIXUKBBVDL-UHFFFAOYSA-N 414.487 1.564 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)n1 546168590 PVNODCBEGVXRLE-AWEZNQCLSA-N 411.412 1.933 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 549279715 LEIPPXFLXXLIPL-MIALQEHNSA-N 424.567 1.919 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)s1 564086663 OXYLJVGLSCRVCX-UHFFFAOYSA-N 420.516 1.843 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 569797952 JFYCYFKSAHSOBO-OAHLLOKOSA-N 413.496 1.165 30 10 HDEE CCN(CC)CCS(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 575166305 DCSOCEQJLMVJOE-UHFFFAOYSA-N 407.496 1.600 30 10 HDEE C[C@H]([C@H](N)C#N)n1cnc(I)c1I 575506520 ACQHBCUXHZGSDY-RFZPGFLSSA-N 401.977 1.504 30 10 HDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 577717784 NLCHUAJXQRGQQI-INIZCTEOSA-N 418.475 1.259 30 10 HDEE N#Cc1ccnc(C(=O)NC[C@H](Cc2ccccc2)NC(=O)c2cc(C#N)ccn2)c1 578912521 JRQIEJFUNGCASL-IBGZPJMESA-N 410.437 1.991 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 609602441 XAZYISJMANGFTH-GOSISDBHSA-N 418.450 1.786 30 10 HDEE CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 610143421 LVXCWVLNCLRSHS-UHFFFAOYSA-N 400.464 1.679 30 10 HDEE CN(CCN1CCCS1(=O)=O)CC(=O)Nc1sc2c(c1C#N)CCCCC2 610615210 SAUPXDQCQXDLCS-UHFFFAOYSA-N 410.565 1.794 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCC)[C@H]3CCS(=O)(=O)C3)cc2C1=O 620448960 CXFZPNYKQKUTPN-HNNXBMFYSA-N 404.488 1.898 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)N2CCCCC2)ccc1OCC 679530755 NTWRSIUCOQQIBD-UHFFFAOYSA-N 403.479 1.969 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 685843514 FUHHEEJYGJHZIN-UCIXUQDCSA-N 406.482 1.519 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1)[C@H]1CCS(=O)(=O)C1 729331851 QUIRNBYNADMKQS-ZBFHGGJFSA-N 412.533 1.026 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730139426 BGTXISRNDFEIBH-MRXNPFEDSA-N 419.551 1.049 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(CNC(=O)OC(C)(C)C)n2)CC1 732753004 MUHRQLJPMGKRJG-UHFFFAOYSA-N 423.539 1.228 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCC(C(N)=O)CC1 733258947 DFJANRPCEZXOST-ZBCRRDGASA-N 420.535 1.300 30 10 HDEE O=C(COC(=O)C1C[C@H]2COC[C@@H](C1)C2=O)NCC#Cc1cccc(C(F)(F)F)c1 740397544 PGEDCWGNWYNELF-MQVJKMGUSA-N 423.387 1.958 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 742028830 JIGDYICMEJGOHO-HMWBCQRISA-N 414.553 1.888 30 10 HDEE Cn1c(=O)c2nc(Br)n(CC#Cc3ccccc3Cl)c2n(C)c1=O 746618847 ISLLFQJZUGPQJK-UHFFFAOYSA-N 407.655 1.901 30 10 HDEE COC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c(C)c1 747499678 ZZZBDBLUVHWOHS-UHFFFAOYSA-N 411.414 1.682 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 748064929 CYZYWWUHWKRQLZ-UHFFFAOYSA-N 419.510 1.773 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1Cl 752235470 NDPGYYDNJMDARU-LLVKDONJSA-N 406.869 1.368 30 10 HDEE Cc1noc(C)c1CCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753667885 UMMQKOCTQDCVAJ-LBPRGKRZSA-N 404.492 1.858 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 760913737 CUQXAQRKNIWTEN-GOSISDBHSA-N 417.531 1.509 30 10 HDEE C#CCN(C(=O)NCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1 774240633 LYVFYVLOJMBYBK-ZDUSSCGKSA-N 405.398 1.311 30 10 HDEE C#CCN(C(=O)NCc1cc(OC)ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 774251974 PTZMYCLRQHLJKA-ZDUSSCGKSA-N 402.419 1.629 30 10 HDEE Cn1c(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)nc2cccc(Cl)c21 776137253 FIDNJCFIDWMNOD-BMRADRMJSA-N 402.842 1.552 30 10 HDEE N#CCOc1ccc(CC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 785635462 ATHMAXWDJLVSCW-UHFFFAOYSA-N 414.487 1.128 30 10 HDEE C[C@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787676412 BRGLDZYETBZRIF-QWHCGFSZSA-N 411.505 1.395 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)cc1C#N 787975369 ATFVDTYKFWHFJA-FQEVSTJZSA-N 422.485 1.373 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)N2CCC2)c1 795299982 ORROHIMZPVFEKN-FBMGVBCBSA-N 400.526 1.642 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 806460938 VXBROHICNQMMEI-UKRRQHHQSA-N 409.489 1.027 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCCN(c2ccccc2F)CC1 806781017 JMKGLTVRBOSXHD-HNENSFHCSA-N 401.442 1.574 30 10 HDEE C#CC[C@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 809547897 WXEUXRBEFCBLIZ-HXUWFJFHSA-N 421.519 1.743 30 10 HDEE CCOC(=O)c1c(COC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)noc1C 811088410 KJLJVALEGIOLRV-UHFFFAOYSA-N 406.416 1.690 30 10 HDEE C#CCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 813779415 GPXKSMBTIKUCPF-HZPDHXFCSA-N 415.556 1.902 30 10 HDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914551990 QTWBJCJOUFQWMN-INIZCTEOSA-N 406.483 1.952 30 10 HDEE CCCN(C(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914680210 RYDHRVXWZSOZHV-UXLLHSPISA-N 422.503 1.683 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1124439456 AWTDHLGXWAGFPV-NVXWUHKLSA-N 418.519 1.796 30 10 HDEE CCCCNC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1135867489 UXRBAZWXXALKJM-OAHLLOKOSA-N 413.496 1.554 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 1135982041 DFJKXUIRMCNRGQ-IBGZPJMESA-N 416.478 1.834 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1)C1CCOCC1 1148195071 SUIKCGMTZLFXQP-KGLIPLIRSA-N 409.464 1.584 30 10 HDEE CC1(C(=O)N2CC3(C2)NC(=O)NC3=O)CCN(c2ccc(Cl)cc2C#N)CC1 1159370610 PGIRZVGCKSJQMW-UHFFFAOYSA-N 401.854 1.239 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccccc2F)cc1 1169081916 APMHLTDNLIWDMI-FQEVSTJZSA-N 404.463 1.461 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 1212079843 HRSPOGAATXJQEF-CYBMUJFWSA-N 400.526 1.383 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCc1nnc2c(=O)n(C)ccn12 1251106321 WLLRVOZSVLEEAV-UHFFFAOYSA-N 412.498 1.536 30 10 HDEE CC(C)(C)O[C@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C12CCC2 1253068071 MTSFBXCOZLFFTO-CABCVRRESA-N 401.467 1.513 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Br)c(C#N)n2)n(C)c1 1276962053 HLJJNSKIFWNHNP-UHFFFAOYSA-N 412.269 1.557 30 10 HDEE CC(C)C#CC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1280745090 SNIHVNFJMJVWDK-SIFVSHMBSA-N 400.519 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1286278672 FWBHYPZRFSUNDK-OAHLLOKOSA-N 412.519 1.783 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@](C)=O)cc1 1286358960 OVRGSYINFCQINP-PMERELPUSA-N 422.514 1.922 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1286380594 HCERCUZFXUYHNK-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286395513 RRHQVCKTGUGGRS-GOSISDBHSA-N 416.551 1.539 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286450330 FCHDPYMPUXVECI-IBGZPJMESA-N 422.482 1.005 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1286634681 ALNJAJCCWWORNG-KDOFPFPSSA-N 424.889 1.952 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1286662919 BPXQIXPAWITNFF-QGZVFWFLSA-N 411.572 1.856 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(F)(F)C1 1286791173 OPUQHHDTFFRIGR-HNNXBMFYSA-N 405.405 1.938 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@H](c2cccc(Cl)c2)N2CCCC2)c(=O)nc1O 1290875239 IFZRJRIFMOPAMH-QGZVFWFLSA-N 415.881 1.817 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 1293715868 MTMYFDCHGMHULO-UHFFFAOYSA-N 413.215 1.981 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)/C=C/C(=O)c2ccc(C)cc2)c1 1293760894 JKNZJEVILGBPLP-ZHACJKMWSA-N 416.499 1.975 30 10 HDEE CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1295094313 ZUWNDMQLYZIMIU-UAMJFUFUSA-N 418.498 1.301 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1296940108 RDQCOJOHMMGSSB-OAHLLOKOSA-N 417.510 1.773 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(Cl)ccc2OC)c1 1297844465 SWIUWRPXVSLMPP-QGZVFWFLSA-N 422.890 1.724 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1300272469 MRSIWLPZOWUCHL-GOEBONIOSA-N 407.544 1.250 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@H]21 1300365543 YQAQNMLWWVCMAU-ULQDDVLXSA-N 407.540 1.403 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300489377 MZHGVJSONUTGLW-KRWDZBQOSA-N 418.519 1.617 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300489619 QHCRHHCQIUTTDU-NZSAHSFTSA-N 414.531 1.997 30 10 HDEE COCc1nocc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1301224584 PMLHUQSDAXOLAW-QGZVFWFLSA-N 412.425 1.919 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCN1C1CC1 1301422414 KMWKTWYTRZUAKP-QZTJIDSGSA-N 402.543 1.885 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1301439593 HGXKNOFJPNEALY-QFIPXVFZSA-N 424.505 1.415 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301519599 PVUJOJQYABORLG-NHCUHLMSSA-N 419.526 1.238 30 10 HDEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)cc1 1302131753 UYCNTJXHRBAAIQ-CRAIPNDOSA-N 412.494 1.899 30 10 HDEE CSCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1302743749 XYWUGCKMQCDZHU-ZIAGYGMSSA-N 416.573 1.150 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1302978200 HILHDLQROIFQAW-DNVCBOLYSA-N 419.482 1.570 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1303471573 GIYGBUPBYMGXNA-QGZVFWFLSA-N 424.571 1.630 30 10 HDEE C[C@]1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1303991741 NWOHVCFJIDPRLY-XLIONFOSSA-N 401.442 1.542 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ncn(C)n1 1305522011 GTADARGERYKLFH-OAHLLOKOSA-N 406.498 1.562 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1 1309653277 AHGBSCZXYUBXRK-KRWDZBQOSA-N 412.552 1.774 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)C1 1310318350 DSTGSWCGZFLILC-KRWDZBQOSA-N 420.535 1.699 30 10 HDEE C=CCN(CC=C)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1316702562 JSANOKLUYDPSDP-OSFNYYGPSA-N 401.551 1.827 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1337989149 ZETQTVRULYVKBE-QFIPXVFZSA-N 419.441 1.586 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1358876765 PUOUVSJZNMOLHM-NSHDSACASA-N 414.329 1.928 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1358946301 PVUHVDVGDYLUBW-SFHVURJKSA-N 420.564 1.176 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358963244 FCYHBEXURLRPAL-CVEARBPZSA-N 421.567 1.018 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1358967197 FYOPNZAINQURDW-UHFFFAOYSA-N 405.462 1.126 30 10 HDEE CC(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1359939806 YBWGLEAMEFFZOR-QGZVFWFLSA-N 408.510 1.869 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)c1 1452794461 GVGCWUJDZDGKLV-UHFFFAOYSA-N 406.504 1.982 30 10 HDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1455610905 IZYCKLGVBGCNAZ-GOSISDBHSA-N 405.410 1.935 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 1464533257 ZTBNEFZAMOWNIF-OAQYLSRUSA-N 411.527 1.332 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCN2CCCO)cc1 1465259512 WKWNBUMDMQPUBF-KRWDZBQOSA-N 410.540 1.461 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-])C1CCOCC1 1467372998 XSGPMORQRKWNRE-QGZVFWFLSA-N 401.467 1.897 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1468476936 ATHBVGWPRKHDRP-HTAPYJJXSA-N 413.474 1.989 30 10 HDEE Cn1cc([C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c2ncon2)cn1 1468478630 MZYNNGQZVPYOSX-QGZVFWFLSA-N 414.466 1.659 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)cc1 1469215702 ICOFOVXQBDKHRC-IRLDBZIGSA-N 423.538 1.945 30 10 HDEE Cc1ccc(C(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)NCC#N 1469557121 FCOCEAHMFVDLCH-HRCADAONSA-N 408.524 1.024 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C1 1469729426 MJQZEAFBENNIHI-GUBZILKMSA-N 416.347 1.603 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CCOCC2)c1 1470222588 IVYYATCAMYPUKS-HXUWFJFHSA-N 423.469 1.967 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478404523 SHHOMFXXMGYHJN-QWHCGFSZSA-N 423.543 1.748 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)cc2)CC1 1479185225 CQTMTLWKUAZPHT-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)cs1 1492681549 AGBFNNAMGASVRQ-HNNXBMFYSA-N 408.553 1.478 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1494512967 KBWCGJKNIZHVBW-VFYFULIZSA-N 418.523 1.598 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1503477649 ZHWSOAXVCZFZNT-LJQANCHMSA-N 424.505 1.539 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(C)noc1C 1504999723 OSRWDWRUZXPODS-HZPDHXFCSA-N 404.471 1.578 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1507520163 XNODNOFZXUWYNV-TXPKVOOTSA-N 410.540 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1507536845 FDSSTPRGTCDENZ-GOEBONIOSA-N 419.526 1.892 30 10 HDEE C#CCCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507573362 FYHBOPSJNZNEFY-FXAWDEMLSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1507633654 UHLHIFSVADCDSI-LSDHHAIUSA-N 407.540 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1507651592 RGARDCQXBQGRIG-QFIPXVFZSA-N 404.474 1.395 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1nnc2n1CCCCC2 1507713121 YJXURRKETRBOLS-QGZVFWFLSA-N 413.526 1.972 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@H]1OC 1507713750 WCECPLCINMSKQX-RBUKOAKNSA-N 416.526 1.277 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC(C)(C)C2)CC1 1507725473 WOWPICGSRGDRQX-UHFFFAOYSA-N 411.554 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2([S@@](C)=O)CCC2)CC1 1507738733 WVPSIKSRPRGDEF-GDLZYMKVSA-N 417.579 1.813 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1507749412 YFDWBGLFWOHBLM-UHFFFAOYSA-N 415.519 1.655 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507866048 XQQSBCZFMUGSSC-KRWDZBQOSA-N 423.945 2.000 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507936356 CIBHFNOYOJRSPG-UHFFFAOYSA-N 417.558 1.127 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1508018201 AULCCGBSCHJOGW-INIZCTEOSA-N 403.508 1.811 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1508086180 JXTXXKDLARBAHY-UHFFFAOYSA-N 423.521 1.218 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC[C@@H]21 1508147696 LKNDDIKARWCOJI-QAETUUGQSA-N 410.540 1.592 30 10 HDEE CC(C)(C)OCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1508689658 OCHUEQZIKQEVKL-AWEZNQCLSA-N 418.523 1.813 30 10 HDEE CC(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1509394076 VWDSMLBRNRLSFS-UHFFFAOYSA-N 408.510 1.650 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1512404059 AVSRCFXWKQDZQT-UXLLHSPISA-N 415.519 1.865 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3ccnn3)o2)cc1 1515903364 XHFPHMRNZGVALD-UHFFFAOYSA-N 401.448 1.978 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1527363557 VQJRWHIJBHOHQU-IBGZPJMESA-N 412.490 1.910 30 10 HDEE CC(C)(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)NS(C)(=O)=O 1528579569 PXOQSBVYOZVYAN-ZDUSSCGKSA-N 404.533 1.408 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 1528706023 YPHOZAWLSRKKGR-KRWDZBQOSA-N 408.414 1.663 30 10 HDEE C#CCN1CCC(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1531178118 SBXJGEGWCFQFKK-UHFFFAOYSA-N 419.547 1.554 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1539058854 JHJGDYOBTXZMDA-MRXNPFEDSA-N 421.509 1.543 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539211495 MSHIAYVMURZILZ-FXAWDEMLSA-N 402.520 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1C(C)(C)C 1539273289 NXZOQQDMEHZYED-UHFFFAOYSA-N 405.510 1.607 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(C)c1 1539421809 YSEPNJOIUSGKRP-UHFFFAOYSA-N 404.478 1.384 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539793458 FJXNVXPACGXHLL-SFHVURJKSA-N 416.873 1.302 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(F)F)CC1 1540867998 OOVMWWKYKDCKJW-UHFFFAOYSA-N 404.465 1.943 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540915552 MDTABTRXCQULGD-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1541871081 XYRTUAGDJQCKKO-FUHWJXTLSA-N 410.526 1.673 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1541907696 CAKIYGCUQBNLGB-XZLOLGPPSA-N 424.571 1.568 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCC[C@H]2CNC(N)=O)C1 1542767292 VTLKIELQNLJKEW-HNNXBMFYSA-N 420.311 1.806 30 10 HDEE N#CC1(CC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCOCC1 1543051180 PEFLGGYZSHOPNE-INIZCTEOSA-N 409.483 1.805 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)C(=O)OCC 1544344952 NSTYYDZAYFIHPO-CQSZACIVSA-N 412.870 1.994 30 10 HDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1555345515 AXKLGWGAJLRUMU-GCJKJVERSA-N 410.522 1.746 30 10 HDEE CNC(=O)[C@H](NC(=O)CNC1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 1560008319 LERPKBADGQCXSL-OAQYLSRUSA-N 406.486 1.757 30 10 HDEE COc1cc(C#N)ccc1CN1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1560044180 XNXNYQYMHSFKCF-UHFFFAOYSA-N 400.479 1.878 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3cccc(F)c3C#N)CCO2)cc1 1561780951 CZFFUCDGLBRRMN-QGZVFWFLSA-N 424.475 1.863 30 10 HDEE CCO[C@@H]1COC[C@H]1NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1564752366 PMVUTIMYGIMFEK-RTBURBONSA-N 412.494 1.670 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCO[C@@H]3CCCCO3)C2=O)cc1 1569857520 ODRFHYUTDFMRAX-FUHWJXTLSA-N 400.435 1.423 30 10 HDEE N#Cc1cccc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1Br 1585445865 PTFVDSNCYCERQO-HBJVGIJOSA-N 404.220 1.422 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)CC1 1587738797 IMLZHVLDAOMJNP-UHFFFAOYSA-N 405.466 1.051 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587998559 CWTOWSDBOJJSFO-KRWDZBQOSA-N 401.536 1.528 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588065343 XDCROYFVMQULJU-KRWDZBQOSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1588138291 BWAQEGZEVNKQFK-TWFHAPMSSA-N 416.547 1.194 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)cc2)CC1 1588751719 MNEHUKVCLDBOOD-SFHVURJKSA-N 413.522 1.814 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1589708354 JKGIATXOKNLZMV-AUUYWEPGSA-N 423.514 1.701 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1594774218 JAFDHWDUTRRJEM-PXNSSMCTSA-N 407.515 1.238 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1595569340 FLAOVJWRMASXTM-UHFFFAOYSA-N 424.553 1.773 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@H]2OC)C1 1595664516 FUZPXJRYMUGAEO-KZNAEPCWSA-N 419.526 1.347 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@@H](C(C)C)C1 1595798595 QXSFVAYKJAPGGS-HZPDHXFCSA-N 414.597 1.961 30 10 HDEE N#Cc1ccc(NC(=O)Cn2nc3ccccn3c2=O)c(I)c1 1598243888 VLAOLZZWJXSXGU-UHFFFAOYSA-N 419.182 1.611 30 10 HDEE CCc1ccc(C(=O)N(CC#N)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 1611471473 ZITBZZAIHUKCHD-UHFFFAOYSA-N 414.487 1.835 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1612877848 NANMVLPNJBHIAB-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1613005697 YCNOSXDXDYTOFN-UFOSLELVSA-N 409.450 1.092 30 10 HDEE CC[C@H](C)c1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1613179626 BSZPTBYCRCBTDR-LZICOFPGSA-N 424.509 1.787 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1(C(N)=O)CCOCC1 1613524302 GZNKEQKIKNLSHX-AWEZNQCLSA-N 419.530 1.217 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1613558617 IDXICWWKFQDVIY-OXQOHEQNSA-N 405.522 1.979 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1618347660 OHZKSPDHENCOET-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CCO1 1620356506 ZVRZFENXHASGRC-WMZOPIPTSA-N 410.478 1.930 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(NC(=O)COC)CC3)n[nH]2)c1C 1624713882 FKGZYQCVFZTNQF-UHFFFAOYSA-N 400.483 1.443 30 10 HDEE C#CC[C@H](NC(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626188365 XACSVZQDEBILOA-YCRPNKLZSA-N 408.495 1.600 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N(CC#N)CC#N 1627702126 BAVFLKYKFNAIIM-INIZCTEOSA-N 400.435 1.889 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1628632487 MUVNNJSHDUSMCO-JKSUJKDBSA-N 405.882 1.840 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1631390647 DWTLJERSYFYDFA-MRXNPFEDSA-N 423.535 1.988 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1 1631935624 NBXUCXUIMVZCFX-YVEFUNNKSA-N 405.417 1.820 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](c2n[nH]cc2NC(C)=O)C1)C(=O)OC(C)(C)C 1633859657 YUYWLOGJDBYSSS-OAHLLOKOSA-N 403.483 1.944 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cnc(C(F)(F)F)c(C#N)c1 1635849321 GTPZOJFHRVFEIH-GFCCVEGCSA-N 402.373 1.930 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2cccn2C)s1 1638301862 XAOOGEKATUUKPH-INIZCTEOSA-N 409.533 1.694 30 10 HDEE N#CC1(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)CCOCC1 1640395900 ZVVVWUJCJXIDQU-INIZCTEOSA-N 407.492 1.481 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1643808681 MHUVYOARLXWJLG-UHFFFAOYSA-N 422.468 1.938 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1644233654 CNABQFGACKLCGH-UHFFFAOYSA-N 401.444 1.178 30 10 HDEE C#CCC1(O)CCN(C(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1650951439 DOLZTFBQMRFCDP-UHFFFAOYSA-N 414.502 1.746 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1656355482 ZWGQBXZULPKOKU-GUDVDZBRSA-N 421.586 1.771 30 10 HDEE Cc1cccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1C 1656778624 HSIZMRFZTMOQRG-UHFFFAOYSA-N 412.446 1.479 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)CC1 1657649772 RPPOCBQDYGSNAO-UHFFFAOYSA-N 418.519 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3cnccc3C#N)CC2)C1 1664192781 GXGGYPDVMSKZAU-UHFFFAOYSA-N 421.523 1.272 30 10 HDEE COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 1664489369 ACTLGWUOPKNWQC-LBPRGKRZSA-N 405.398 1.302 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1C 1665589324 AGAACNXVHKYPKT-UHFFFAOYSA-N 406.439 1.333 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1681244719 AZVWRNCZQQQVDR-SFHVURJKSA-N 408.524 1.295 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 1682811200 CAMDBMZYTLTQBK-MRXNPFEDSA-N 410.927 1.886 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(CC(=O)NC)CCCCC2)n1 1682939711 JVPBBSKBQXTDIW-UHFFFAOYSA-N 403.527 1.761 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1683074085 KBCXLTXBTLQJLG-IRXDYDNUSA-N 406.527 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1689848621 YPBHHMRPRJEPPD-IAGOWNOFSA-N 419.533 1.992 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nccnc1C 1689963994 CDIJECACWBIHPU-UHFFFAOYSA-N 417.521 1.863 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1689984591 RDGMHRGTWPPGSB-QGZVFWFLSA-N 402.520 1.997 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689988694 UOOIPSIRHLOMKD-IEBWSBKVSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1689999645 FOUBJMVCQFICIL-INIZCTEOSA-N 422.514 1.558 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C 1690003775 XOOHVVMENNKAFY-JOCHJYFZSA-N 410.522 1.790 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@@](C)=O)CC1 1690056467 UGQMGZSQNWJJCO-VLMBKWFHSA-N 404.536 1.376 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCn1cncn1 1690105110 TUUAWXPSYAGXFE-UHFFFAOYSA-N 401.421 1.525 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCn2nc(C)cc2C)CC1 1690120087 FYXNRSODMHIFMX-UHFFFAOYSA-N 404.522 1.999 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690342241 GKBDODPGJMMOPP-HZPDHXFCSA-N 419.917 1.700 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1696054943 KDVALPZKFGHMDJ-JSNMRZPZSA-N 420.489 1.287 30 10 HDEE CO[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1697221510 HQRKYRBWMWFVKZ-JOCHJYFZSA-N 424.505 1.828 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1705476381 YYRCKUAZHROYGT-IAGOWNOFSA-N 411.510 1.373 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1705478069 WEBZPNFRCZQIMH-WCQYABFASA-N 410.569 1.662 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 1705510578 TXXQMBIVSSBDQP-MRXNPFEDSA-N 408.572 1.224 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2F)CC1 1705538423 OHMBHLMHOOCJFC-UHFFFAOYSA-N 411.485 1.675 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1705640538 VUOLURUHEIBKQE-UHFFFAOYSA-N 424.549 1.534 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705832199 QEKBFTXCSUGAER-ZWKOTPCHSA-N 403.527 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)C1 1705926501 FLJNZEOBQWAXDV-NFBKMPQASA-N 411.550 1.911 30 10 HDEE Cc1c(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1707025915 RGCRVUMBRBCDDT-KRWDZBQOSA-N 407.482 1.673 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(CC(=O)N(C)C)CC3)n2Cc2ccc(C#N)o2)o1 1707374467 RYETUVODXNPCNH-UHFFFAOYSA-N 423.477 1.570 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1711975567 GKBDPIBMGGNZJR-RTWAWAEBSA-N 412.469 1.798 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCOCC1 1712454571 PKRPYLBPXIHEOS-ZWKOTPCHSA-N 406.531 1.259 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)C1 1712875812 IFGHHAHQFJLIEW-GRDNDAEWSA-N 413.544 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722275365 DHXXOKPCSGELRB-HOTGVXAUSA-N 405.524 1.734 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1722299714 RWJOJYBHRCUMOZ-CVEARBPZSA-N 416.551 1.448 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722459524 LXDYUKJZFCJOOC-GJZGRUSLSA-N 404.496 1.418 30 10 HDEE C=C1CCN(c2nnc(C3CCC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1722564795 GXBXJMAPCNHWMW-UHFFFAOYSA-N 406.512 1.810 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722617427 JVDSWEJXAPCFID-HZPDHXFCSA-N 402.499 1.515 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cnccn2)CC1 1722625966 DVGBONCOJKHMSS-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)C1 1722717484 BBQCBZIQOWJSRC-RDJZCZTQSA-N 420.539 1.052 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2sccc2C1 1722725681 QJQLOFPMASEVRS-UHFFFAOYSA-N 423.564 1.641 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1722867232 FQGITYQMSJIZBY-GDBMZVCRSA-N 405.528 1.142 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1729912664 XRWXWERAMBRXHC-UGSOOPFHSA-N 422.511 1.407 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1740558603 UCCZESWMUSKYLY-GJZGRUSLSA-N 403.508 1.533 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1740574989 PIOYNKSGQYJPQL-CYBMUJFWSA-N 423.461 1.413 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CC 1740631153 QDWKVMDSWMREIW-HXUWFJFHSA-N 400.504 1.582 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(F)cn1 1740645759 LDXJJCXHHPHBQD-UHFFFAOYSA-N 403.421 1.971 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc2c[nH]nc2c1 1740683504 ISRISMQVJNLCHF-UHFFFAOYSA-N 404.478 1.884 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740827418 VZBIEBZYEMOLIX-GOSISDBHSA-N 416.551 1.844 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1741004985 RBHUETGRJNIIQM-HNAYVOBHSA-N 422.555 1.063 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1741798514 HNPHDMFUENCMQD-LLVKDONJSA-N 408.304 1.873 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748662125 QGKZBSFIQZDGQZ-UKRRQHHQSA-N 409.416 1.456 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1noc(CC)n1 1748776504 JDUYJVYXEPIQQY-UHFFFAOYSA-N 414.491 1.606 30 10 HDEE COc1ccc2c(c1)nc(Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)C#N)n2C 1748885009 HNLJSXANQZFRJL-AWEZNQCLSA-N 424.509 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCN2CC)CC1 1749019108 LILZPAVCALRONM-GOSISDBHSA-N 402.543 1.265 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1(C)C 1749221636 NUGGUQPRUNDJIO-SFHVURJKSA-N 422.493 1.767 30 10 HDEE COCCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C[C@H]1C 1749883790 BAPNAWXUAKCGRS-OAHLLOKOSA-N 408.466 1.405 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(C)CN(C2CC2)C1=O 1750117525 CIFZROWRWCYHFX-IXAFZWLNSA-N 416.526 1.609 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760193030 RMHDYSYGCRLION-IXDOHACOSA-N 410.540 1.114 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1760238835 MBPJHCPSISMJBP-AABGKKOBSA-N 418.586 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N(C)C)CC1 1760271765 LFOWBIMIDISLJD-QGZVFWFLSA-N 409.538 1.180 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O 1760295536 DGYOQNJYHAFDFO-HXUWFJFHSA-N 414.535 1.292 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568457 JKKSMQOPCVLXDJ-UZLBHIALSA-N 423.583 1.940 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCOC2)CCOC1 1761287437 PSEXQFFOLVWNGR-PMACEKPBSA-N 405.499 1.210 30 10 HDEE Cc1noc(C)c1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1762665644 OBEOSZGZARWUQG-JXFKEZNVSA-N 416.482 1.701 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1765440479 FYPPPZVWYNOQOM-RKVPGOIHSA-N 410.519 1.106 30 10 HDEE CCC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765642589 KWIVUBIJZNWNBC-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767043120 SDWYPMURDLOVRS-XGOYLDHDSA-N 414.388 1.307 30 10 HDEE CN(Cc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1768686130 GXLQIUQBGSWMSO-UHFFFAOYSA-N 400.450 1.925 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCNS(C)(=O)=O)c1 1768775172 CBVLHVVIHSDUMZ-AWEZNQCLSA-N 406.512 1.489 30 10 HDEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1769018167 BKWISQJXKZMSNB-HIFRSBDPSA-N 404.496 1.370 30 10 HDEE COc1cccc(OCCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1770382917 RDCMMZWSSSYBPK-VQIMIIECSA-N 413.478 1.988 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC(F)F)c1 1771531911 HTSKTMWCDQBGHQ-UHFFFAOYSA-N 411.434 1.681 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)CCO1 1771538750 HKPHKPRQHANVLR-MRXNPFEDSA-N 423.502 1.636 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)[C@@H](C)C3)n[nH]2)c1C 1849150838 GFMZQOJCOBEWSY-ZDUSSCGKSA-N 420.539 1.572 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCN2CCC(C#N)CC2)c1 1850005892 QUFJHSPVORJBQC-IBGZPJMESA-N 404.536 1.500 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3cccc4c3CCCC4)C2)NC1=O 1851230276 JJVXADHMQQOGEJ-AWEZNQCLSA-N 408.458 1.239 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(Cc4cccc(F)c4)C3)CO2)nc1 1852163035 FZWOWEQMUZWMKF-WMZOPIPTSA-N 410.405 1.804 30 10 HDEE CCOC(=O)N1CCC[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852535253 UPGTWJBZQUZNIJ-QGZVFWFLSA-N 401.467 1.239 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3nc(C4CC4)no3)C2)CC1=O 1853679514 LZCIKKUERZNWEM-NVXWUHKLSA-N 401.511 1.794 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCCC[C@@H](N2CCCN(CC(=O)N(C)C)CC2)C1=O 1853858177 MGUVROHPNQOQPO-RBUKOAKNSA-N 406.571 1.592 30 10 HDEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853953121 QJAPLJRGGIFWME-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C2CC3(CCOCC3)C2)C(=O)C12CCCCC2 1854414630 RFRKJKLVFGTNJH-UHFFFAOYSA-N 423.535 1.420 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854696911 VRLGROPAKSLDLN-GOEBONIOSA-N 419.503 1.245 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)CC[C@@H]3CCCO3)C2=O)C1 1854800037 ZOHLDVAOHWKWKS-QFBILLFUSA-N 412.490 1.883 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C(=O)CN(CCCC#N)c3ccccc32)CC1 1854877303 BFEHJWFBMQPZEE-UHFFFAOYSA-N 404.492 1.342 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1856551232 IWLSTSQGKNNCQW-PKOBYXMFSA-N 400.523 1.921 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2=O)CC1 1856556455 RWGYDWHBBQGYHG-SFHVURJKSA-N 412.494 1.070 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccccc3)C(=O)O2)CC1 1856596308 FHLXLKNKPCKLGS-QGZVFWFLSA-N 405.476 1.532 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CC(c4nc(C5CC5)no4)C3)CCC2=O)ccn1 1856666669 MJMGTMNCGXLSJT-ZDUSSCGKSA-N 406.446 1.692 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc4c(OC)n(C)nc4c3)C(=O)C2)C1 1856867030 SGSFCENXDIFVLI-QGZVFWFLSA-N 411.506 1.517 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)COCc2ccccc2)c2ccccc21 1856928768 JRTPZGHYOLQUOG-UHFFFAOYSA-N 413.455 1.826 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857051063 UVBDTHJBGBELFF-CRAIPNDOSA-N 414.506 1.651 30 10 HDEE Cc1ncn(CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)c(=O)c1C 1857291724 PCMUVTYIWJZNJL-ZWKOTPCHSA-N 411.506 1.251 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@H](C)S(=O)(=O)CC3)CCC2=O)cc1C#N 1857365385 CIUSJOGAUISCJI-IRXDYDNUSA-N 417.531 1.755 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1857496223 XBNLEDUJXGGBPS-LJQANCHMSA-N 417.531 1.928 30 10 HDEE C=CCNC(=O)[C@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513114 NJLPJXANNREYRV-SFHVURJKSA-N 406.442 1.688 30 10 HDEE COC(=O)c1[nH]c2ccc(F)cc2c1/C=N/n1c(S)nnc(CCC(=O)O)c1=O 1873497858 ATOIZTUPMPUGHE-FBCYGCLPSA-N 419.394 1.233 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)CC1=O 1874338690 VJYBVGMAPISHMO-NXSNIQIJSA-N 402.480 1.168 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889092729 TWPGBUKNKIHHPC-VQTJNVASSA-N 401.532 1.524 30 10 HDEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1F 1889353164 WEUHGZJDDROCKC-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(F)cc3F)CC2)CC1 1890551311 VWBIXSNUHVMPHM-UHFFFAOYSA-N 409.452 1.976 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 1891449331 LIKGIMWJAVBPBL-QGZVFWFLSA-N 409.577 1.705 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010401279 CEYGFAPCECJQEK-QPSCCSFWSA-N 422.331 1.907 30 10 HDEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2062444636 UUGQHIHBZMNBAO-VXGBXAGGSA-N 415.288 1.584 30 10 HDEE C#CCOc1ccccc1-n1ncc(S(C)(=O)=O)c1I 2070091193 BZSBMRYIVUKUFD-UHFFFAOYSA-N 402.213 1.892 30 10 HDEE NCC#Cc1ccc(S(=O)(=O)N(CCC(N)=O)Cc2ccccc2)c(Cl)c1 2152220730 UYOMNUVTZZGNAF-UHFFFAOYSA-N 405.907 1.717 30 10 HDEE CC(C)(C)OC(=O)N1CCOC2(CCC(O)(C3(C#N)CS(=O)(=O)C3)CC2)C1 2158298022 UUQDPELNJINUKF-UHFFFAOYSA-N 400.497 1.236 30 10 HDEE C=CCN(CC(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2241808226 ISNPIWXRJUCRAG-LJQANCHMSA-N 401.504 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@@H](O)C1 2247679141 USWGSOCUOSVJEY-OAHLLOKOSA-N 419.331 1.799 30 10 HDEE C=C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258153677 WBGRKLGHFQLZTP-SJORKVTESA-N 410.492 1.729 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4[C@H](N)[C@H]4C3)cc2Cl)OC1(C)C 2267357928 CHBBKROXTDXSKU-GDGBQDQQSA-N 404.750 1.278 30 10 HDEE C[C@H]1SCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703158 RNQJIICSADCGKL-GHMZBOCLSA-N 404.388 1.756 30 10 HDEE CCc1nc(C(=O)N[C@H](C)CC[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031751 XCNXKMUCSXYDNV-RPHGYIDUSA-N 400.375 1.892 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCCC[C@@H]3C3OCCO3)c(F)c2)OC1(C)C 2282053515 VTIQYAZUHJXLFY-OAHLLOKOSA-N 406.263 1.888 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H]1CCC[C@@H]1O 2282313029 FGFSNZGYYLUTQM-STQMWFEESA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(F)CC(CO)C2)OC1(C)C 2282331632 PXKQAFJACGBERF-UHFFFAOYSA-N 405.322 1.436 30 10 HDEE CN(CCOC(F)F)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282491498 NUHRQANXEAWPGO-UHFFFAOYSA-N 412.289 1.443 30 10 HDEE COC1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282501607 ZFPFXKHZFDKALS-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CN(C)CC1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282506921 ZGWSJXWOZMSKTN-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282507483 IEOTWNKKLPDQSK-ZJWNCGCPSA-N 401.359 1.172 30 10 HDEE Cc1sc(C(=O)N[C@H](C)CS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282638192 JOUFGJWLZMQYKK-SECBINFHSA-N 402.347 1.071 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCC[C@H](O)[C@H]3O)c2Cl)OC1(C)C 2282664027 XXXDFUPJHRMIBO-MDZLAQPJSA-N 401.721 1.705 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCC[C@@H]1C1OCCO1 2282836463 KKWRTEXYQDFJMN-MRXNPFEDSA-N 423.340 1.820 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC[C@@H]3CO)c2)OC1(C)C 2282851745 GLYSZTJBOKUQPG-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE CN(C[C@@H]1COCCO1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854595 UDJFPGDOURLKLO-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE C[C@@H](CCN)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282881679 APRQRTVWWBEXOY-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE CO[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282885134 YFSKXWQMWUVYBU-STQMWFEESA-N 403.331 1.130 30 10 HDEE CC1(C)[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284398862 CSKXDDUUKYPNJQ-GHMZBOCLSA-N 401.315 1.435 30 10 HDEE C=C(CS(=O)(=O)N[C@@](CC)(C(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284403944 UNXWYPZZJBTMFI-ZDUSSCGKSA-N 401.212 1.889 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411069 ZBJWWIZCJLQQAH-GFCCVEGCSA-N 401.677 1.557 30 10 HDEE C[C@H](O)CN(C1CCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2288022276 LMDULCDVLNJSOO-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE C=CC1(N=c2nc(Br)[nH]n2CCOC)CN(C(=O)OC(C)(C)C)C1 2308020136 YOYVIBNJFRDPPS-UHFFFAOYSA-N 402.293 1.696 30 10 HDEE COc1cc(C=Nn2cnnc2SCCCO)ccc1OCCN1CCOCC1 2321318884 DPFQNBGEMVYQMB-UHFFFAOYSA-N 421.523 1.354 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCC#CBr)(C(=O)O)CC12CCOCC2 2326206788 OQEYTGAISHNBFC-QGZVFWFLSA-N 417.300 1.945 30 10 HDEE C#CCN(C(=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2360589381 WGFYNSAHMVMLHJ-UONOGXRCSA-N 420.468 1.151 30 10 HDEE C[C@H]1C[C@@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365249404 XPCZXBNYWCQMFH-SCLBCKFNSA-N 403.497 1.682 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](CO)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2367029793 JCINSWQBZIMGKY-ZDUSSCGKSA-N 403.375 1.993 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367791412 YHNCHXJGCWUEAU-CVEARBPZSA-N 400.541 1.571 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C#N)s/c(=C/c2c(F)cccc2Cl)c1=O 18050782 ZPCDABMDPRJVSO-OVCLIPMQSA-N 405.838 1.682 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)n1 20527339 OROHGZMLVPPEDC-UBKPWBPPSA-N 404.481 1.639 30 10 HDEE Cc1ccc(S(=O)(=O)/N=C(\O)CN2C(=O)COc3ccc([N+](=O)[O-])nc32)cc1 96552273 JWMQFACQMXEGPS-UHFFFAOYSA-N 406.376 1.369 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 110391447 WWHFSOWDURXKKY-LJQANCHMSA-N 409.471 1.361 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)/C=C\c2ccc(N3CCCS3(=O)=O)cc2)CC1 208915715 LEFFIQPIYKXAOT-QKWWCAPFSA-N 416.547 1.932 30 10 HDEE C[C@@H](NC(=O)c1cc(Br)ccc1I)/C(N)=N/O 235201062 ZWNIZGAPAXOWSM-RXMQYKEDSA-N 412.025 1.918 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 254443148 SXFLGAJDTFDFCV-KGLIPLIRSA-N 414.480 1.330 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)C1 410161244 JAJZPZKNEZPQEN-UONOGXRCSA-N 412.478 1.836 30 10 HDEE COc1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)ccc1C#N 427142928 GQSFIFHSLJCDGV-LIRRHRJNSA-N 417.487 1.219 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 427684275 DKBLUXCTBLPJOH-NRFANRHFSA-N 402.414 1.484 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1C#N 427784863 VGYRITJNHVIMMV-CQSZACIVSA-N 421.504 1.496 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(-c3cc(F)cc(F)c3)nn2C)CC1 446404202 CJNIYTCBLIFTTD-UHFFFAOYSA-N 418.448 1.817 30 10 HDEE Cc1cc(NC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)nn1CCC#N 462278056 HQKASEJLTPUZPA-UHFFFAOYSA-N 402.480 1.967 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](C#N)C2CC2)N1Cc1ccccc1)C1CC1 464395787 NNVRSQINGZDMJI-NCYKPQTJSA-N 405.502 1.856 30 10 HDEE COc1ccccc1CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481437488 QDPXVZTUAZUQBJ-OAHLLOKOSA-N 401.488 1.935 30 10 HDEE Cc1c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cccc1S(N)(=O)=O 482584711 ZSJZTFNAMQUGEH-UHFFFAOYSA-N 412.515 1.931 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[C@H]2COc3ccccc3O2)cc1 484679564 NCVQRYLQSYREFB-KRWDZBQOSA-N 409.442 1.887 30 10 HDEE CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)n1 489615125 XIPVTNSYXVLKNF-AWEZNQCLSA-N 420.495 1.249 30 10 HDEE C[C@@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[S@](C)=O 493926137 APXDYRWRGJCNIP-RXBISOJRSA-N 411.549 1.232 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1cc(C#N)c(SC)nc1O)Cc1ccc(O)cc1 500922941 IMMBVSCCHKWIMK-CYBMUJFWSA-N 401.444 1.848 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 508847755 LKAKKZVVKLEOBB-CJNGLKHVSA-N 422.559 1.199 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCO[C@H](C(=O)C2CC2)C1 514210750 IYUUYEVCCILSRI-SFHVURJKSA-N 402.495 1.632 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 514782704 ZIRQCATVZMMRTR-OAQYLSRUSA-N 419.493 1.603 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)c1 521370697 DQIATYSKAPVMOG-OAHLLOKOSA-N 424.417 1.408 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 546904607 ZQPHHRHMKMJNED-UHFFFAOYSA-N 403.439 1.426 30 10 HDEE C=CCn1c(Cc2noc(-c3cccc4nccnc34)n2)nnc1N1CCOCC1 547054755 AOYXYULPGIUQKM-UHFFFAOYSA-N 404.434 1.885 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 551414376 WLULLBKIMNCQGG-UHFFFAOYSA-N 421.432 1.271 30 10 HDEE N=c1nc([C@H]2CCCN(CC#CCN3CCC[C@@H](c4cc[nH]c(=N)n4)C3)C2)cc[nH]1 560194263 CFHWJKYTDWSQJV-HDICACEKSA-N 406.538 1.154 30 10 HDEE N#Cc1ccnc(NC(=O)c2cc(I)ccc2-n2cnnn2)c1 565812347 BZFKEMCBNSDOEU-UHFFFAOYSA-N 417.170 1.786 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)c1 568240016 YTYDENBIDWFOEY-GOSISDBHSA-N 418.519 1.518 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)NC[C@@H]3CCCO3)c2C#N)C1 586299287 LHQVZGTWRWRGLO-ZBYRNGAHSA-N 423.560 1.727 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(OC)c1 590986374 DZTKARWVQRPKHK-UHFFFAOYSA-N 419.506 1.937 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2)c1=O 604523571 LHBBCVWIRKXZRR-UHFFFAOYSA-N 410.495 1.735 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609516761 MYMLPGVXUDEUSU-GJZGRUSLSA-N 403.439 1.485 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)c(F)c1 609943751 AMNHTLNKKZIDNY-UHFFFAOYSA-N 400.435 1.920 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 610135806 VJYNFLLJTOXNMG-INIZCTEOSA-N 404.536 1.620 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)CC1 728531478 KIUFVKJFTOYDAU-UHFFFAOYSA-N 412.421 1.178 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 728946130 APBCOATWZCYFKD-INIZCTEOSA-N 413.526 1.140 30 10 HDEE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732647626 HHBFTOBGGJIZEM-AOMKIAJQSA-N 407.474 1.184 30 10 HDEE N#CCOc1cccc(NC(=O)C(=O)NCCCN2C(=O)COc3ccccc32)c1 743930127 CPGATVDLNKCRAZ-UHFFFAOYSA-N 408.414 1.459 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nc([C@@H](C)OC)no2)ccc1F 747892773 KPNRASSFHVXZMO-LLVKDONJSA-N 412.443 1.653 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 749201204 YRAIAKYUTCDQJP-UOVPBQLFSA-N 400.431 1.333 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccn(Cc3ccc(F)cc3)c2=O)CCN1C1CC1 756183163 XPOSSIJGUFEDJG-GOSISDBHSA-N 423.448 1.173 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C1CCCC1 756912153 ZBRAYWZCICKLDS-NRFANRHFSA-N 411.502 1.375 30 10 HDEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCS(=O)(=O)C1 759687899 VJAORQPSJNWCCU-SFHLNBCPSA-N 422.522 1.731 30 10 HDEE C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ccnc(S(C)(=O)=O)c3)no2)c1 761894174 ZGUJOYXJYGQDLP-UHFFFAOYSA-N 418.456 1.114 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C1CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 783304725 YGHFGERHGKBIRR-OAHLLOKOSA-N 401.529 1.771 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)CC(F)(F)C1 787829331 XHJMFTAEHWGNLG-OCCSQVGLSA-N 415.462 1.512 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)c1 795104231 RLOXXUWCJZHCHE-LBPRGKRZSA-N 400.298 1.819 30 10 HDEE COc1cc(C)c([C@H](C)NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798742034 YYLHJPFMQAHBDC-STQMWFEESA-N 401.423 1.457 30 10 HDEE COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802431615 WLJPCWWGGKDWRE-QFBILLFUSA-N 410.478 1.614 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)CC1(C#N)CC1 815414072 PJYKVILMNGPUNA-LBPRGKRZSA-N 409.464 1.510 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 816697046 POXQDCMIFNHHFA-CYBMUJFWSA-N 401.872 1.235 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915519691 JQBPREAMVOZJIR-LLVKDONJSA-N 409.236 1.246 30 10 HDEE N#C[C@]12CN(C(=O)C(F)(F)c3ncccc3Br)C[C@H]1CS(=O)(=O)C2 1134649111 CVMRTMXNFQPBSX-TVQRCGJNSA-N 420.235 1.333 30 10 HDEE COC(=O)[C@@H]1c2ccccc2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1137032128 CROHUPOHNNASTM-IBGZPJMESA-N 413.455 1.136 30 10 HDEE N#C[C@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1140739482 KRZBPTNZWJCBFG-OPAMFIHVSA-N 404.426 1.166 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1144921833 DBXKNDRTCAWIAI-KXBFYZLASA-N 424.519 1.041 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OC)c(C(C)C)c(OC)c2)CC1 1152967459 HSCIZJYQZKMNEE-UHFFFAOYSA-N 409.508 1.053 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2OC(F)(F)F)CC1 1152974263 QVHKOPSUGINHAM-BQYQJAHWSA-N 417.409 1.210 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779661 SCLPPRKPVBLWQX-FIKGOQFSSA-N 420.462 1.009 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1157502238 SVIDKKVHAFTJIP-QGZVFWFLSA-N 421.494 1.754 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)OC)cc1 1158756808 BLWQEVIGKQSDKY-QGZVFWFLSA-N 406.504 1.697 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179656955 YJDDEVRYMIWRNZ-XMDUPGNXSA-N 413.540 1.713 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)c3)CC2)c1 1186563434 NKOPLXOLWHXJSH-UHFFFAOYSA-N 415.471 1.864 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OCC 1213546510 LZENWLDPYPQJFK-OAHLLOKOSA-N 413.448 1.436 30 10 HDEE CS(=O)(=O)C1(CNC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCCC1 1221728151 AVJYTCYJZDGMQD-UHFFFAOYSA-N 419.551 1.969 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@H](CS(N)(=O)=O)C1)c1ccc(Br)cc1 1230499322 UMKRWRYQEDPLST-RISCZKNCSA-N 400.298 1.443 30 10 HDEE C#Cc1cccc(N(Cc2ccco2)C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c1 1264920245 TYBUYKHSEDQZCS-UHFFFAOYSA-N 410.455 1.939 30 10 HDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286316055 GAGUZZZYHIYVIM-KRWDZBQOSA-N 409.450 1.871 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286359448 WJLKNDXROVVTIP-UHFFFAOYSA-N 413.445 1.828 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286389419 JREIAVFRQGRIRR-KXBFYZLASA-N 404.492 1.283 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1286390044 VTTVTSXBPSGGIV-HNNXBMFYSA-N 405.549 1.986 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1286410122 SETGWONCMLTYBX-GOEBONIOSA-N 417.560 1.822 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1COCCO1 1286459583 OOMALOWAJVPHJN-SFHVURJKSA-N 422.489 1.837 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286504047 HYTKUDBXFGVFFM-ZWKOTPCHSA-N 416.595 1.908 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCNS(C)(=O)=O 1286528888 PBQRJMNBIWUZTQ-LJQANCHMSA-N 421.498 1.538 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CCCO)CC2)n1Cc1ccc(C#N)o1 1288099368 YWXBICUPAQNEFZ-UHFFFAOYSA-N 400.483 1.918 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCc1nnnn1C 1289682727 IPHLJCMLVGDRNL-UHFFFAOYSA-N 423.271 1.371 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1ccc(C(C)(C)C)cc1 1293016716 ANZNDIVPBGMBJP-HNNXBMFYSA-N 402.476 1.534 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1F 1296842482 PNVLAZLQZKUPCA-UHFFFAOYSA-N 407.398 1.461 30 10 HDEE CN(C)CCN1CCN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CC1=O 1300244561 DXDMNFWWWAKNMY-UHFFFAOYSA-N 406.486 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1300281318 JBBRVULSTNHZPJ-HNNXBMFYSA-N 400.508 1.602 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300403693 NWQRPTJXTYQWMN-UHFFFAOYSA-N 403.512 1.057 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300409118 PKSHLBUNBZOKGZ-INIZCTEOSA-N 424.509 1.158 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1300493866 WTLGEWHGDZCDDY-IIIMJFFVSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(C2CC2)CC1 1300591199 NEPCBERZBIGDGV-UHFFFAOYSA-N 408.550 1.738 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(C)C)nc1 1300663900 KSBYDLDPSMFFGV-QGZVFWFLSA-N 412.494 1.546 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1300761369 BUHCAZPNEVKFND-QFBILLFUSA-N 424.592 1.554 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1301249036 OFDMCBKXXGWJOJ-KRWDZBQOSA-N 415.542 1.964 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301367902 VMPSFJVFGVBPGV-RTBURBONSA-N 416.570 1.759 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCCCC2)C1 1301475503 UMHBZEITTIIDPS-QGZVFWFLSA-N 417.558 1.031 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301514298 IVDVXEGFUSXWNX-AWEZNQCLSA-N 416.457 1.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCO[C@H]2C)C1 1301536030 RHNPTGPABWNJCV-LUQKVYGDSA-N 421.542 1.518 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2COCCO2)C1 1301542630 DHOYJWRPUKWWGS-LQWHRVPQSA-N 422.526 1.515 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1301589999 BVBMMAOVNRTVTO-UHFFFAOYSA-N 410.400 1.968 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1302987023 JEIABWJTHXKIQX-NZSAHSFTSA-N 424.505 1.448 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1303471372 GIYGBUPBYMGXNA-KRWDZBQOSA-N 424.571 1.630 30 10 HDEE CCc1nnc(N2CCC[C@@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1306162033 DXRHEOAYJMBQRH-AWEZNQCLSA-N 406.512 1.461 30 10 HDEE C=C(Br)CNC(=O)N1CCn2ncc(I)c2C1 1311757447 PYYXSIDYCOXHPY-UHFFFAOYSA-N 411.041 1.922 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 1312684027 XVBOKRFPULBCMI-OAQYLSRUSA-N 410.474 1.581 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1316018387 MVAMCWLOTVPRMP-INIZCTEOSA-N 412.494 1.822 30 10 HDEE COCCOC1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316227604 PYZVBSGIWBZUJB-KRWDZBQOSA-N 421.542 1.808 30 10 HDEE COCCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1316256900 ZGKLDWIMVVAWPS-MRXNPFEDSA-N 404.515 1.802 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1(n2cc(Br)cn2)CC1 1357283898 ZVZGCDGVTIYMDS-UHFFFAOYSA-N 406.244 1.205 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1358876493 KXIBHYPXPNZWMS-LSDHHAIUSA-N 418.519 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCOCCS(C)(=O)=O 1358877201 YSKKIFFTGAAXEM-OAHLLOKOSA-N 406.508 1.473 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)COC 1358885323 HUPLPUUMJRLGCP-LSDHHAIUSA-N 404.540 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C 1358893556 XFYSZCZDTKTCTO-KRWDZBQOSA-N 403.552 1.963 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)N(C)C)c1 1358952528 OKAQBPQKISCXPX-UHFFFAOYSA-N 405.506 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1ccc(C(N)=O)nc1 1358982742 JDKBQEFCJLOLOD-UHFFFAOYSA-N 414.469 1.781 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C 1359023180 CFBIAIGLHKBDHO-GOSISDBHSA-N 413.526 1.524 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC2CCN(CC)CC2)CC1 1359045774 SUIWAMBJPYDWKY-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359068888 RRSSLSGOQDIXSL-OXQOHEQNSA-N 414.535 1.614 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1359272200 NINOSSOHKONBAR-SFHVURJKSA-N 421.567 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)CC)C1 1359313620 OYKWWXBRVONUSP-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359329572 NPQQECDGSZUHOW-CVEARBPZSA-N 418.475 1.660 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1 1359341219 PKANYPFHNXPEEB-UHFFFAOYSA-N 418.523 1.594 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@@H]3CCCO3)CC2)c1 1443482384 WHZUVTVPGNSJOS-HNNXBMFYSA-N 409.483 1.496 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cnn4c3N[C@H](C)C[C@@H]4C(F)F)CC2)c1C#N 1447783212 MNCXMKQVLCHSDM-IAQYHMDHSA-N 418.452 1.769 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 1452707269 MTILHBPIUIRVNL-UHFFFAOYSA-N 410.430 1.839 30 10 HDEE CCOC(=O)[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](O)c1cccnc1 1454673977 SJWXJYAMTOVTKK-VQTJNVASSA-N 413.478 1.523 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(Br)cn2)cc1 1456837576 YWWQAHAGMPXMBK-UHFFFAOYSA-N 411.281 1.633 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1457026257 LOOSULLLAFJKFH-MXDIEHJYSA-N 418.494 1.807 30 10 HDEE CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1nc(C(F)(F)F)cs1 1469022240 AUSVAVVPHKHJRJ-VIFPVBQESA-N 416.385 1.746 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1 1469377574 WHISQFGLZLDQPY-ZWKOTPCHSA-N 400.523 1.927 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1470238106 ZVHJCCCNDPXQRH-SJORKVTESA-N 424.479 1.344 30 10 HDEE COC1(OC)CCOC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470328526 VSAVKSMADFWGMH-CZUORRHYSA-N 407.854 1.459 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1504530089 FXFGSTMLMXSOGK-INIZCTEOSA-N 411.510 1.062 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1507514119 MLTSVLGUFVAQQN-AWEZNQCLSA-N 400.449 1.856 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1507574320 NXRIQTKMPYOMEC-DENIHFKCSA-N 412.538 1.910 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1507687008 KCAHDIQBHMFZFK-UHFFFAOYSA-N 416.489 1.916 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1 1507843928 YPRSHMNYNKQJNP-UHFFFAOYSA-N 416.482 1.267 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507964569 DDUXNUBFXKNMNO-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CCO1 1508377021 OBKLIQXXFXSAQH-XLIONFOSSA-N 424.505 1.585 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@@H](C)C1 1516804627 CDLPZPGXJLVPKX-HNNXBMFYSA-N 403.508 1.867 30 10 HDEE C=C(C)CCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C(F)(F)F 1522392695 LFBXKKBOPHGMJO-DEQQHWRFSA-N 404.429 1.900 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1531949401 LUUQIECNEPVWAB-IBGZPJMESA-N 402.539 1.747 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2 1534447921 MXTRJLTZPOHREB-UMVBOHGHSA-N 403.439 1.779 30 10 HDEE N#C[C@@]12CN(C(=O)c3cn4c(Br)cnc4s3)C[C@H]1CS(=O)(=O)C2 1536180752 WGHQPQKWWBSJDI-SDBXPKJASA-N 415.294 1.169 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncccn2)CC1 1539141820 JCGLXQKVRJISEZ-ROUUACIJSA-N 411.510 1.532 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1539478463 AFHDPAROGNGYDJ-INIZCTEOSA-N 402.480 1.198 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1539638275 YUKQMIFFDCZKCI-QKLQHJQFSA-N 410.522 1.912 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540036223 KZXMQQYBCFXSCN-VAMGGRTRSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1540069551 RXELGAXHGAMCFF-KXBFYZLASA-N 406.556 1.059 30 10 HDEE CN(Cc1nnc2n1CCC2)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1540697364 VGIZJTYLBOBYHG-DBWCEAHUSA-N 414.510 1.970 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCOC1 1540901289 YYJLYNINAXJABN-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1554531422 FVBVBPPUZQVUBH-APWZRJJASA-N 424.505 1.537 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1 1555200617 AKLFDXAZKBYXKH-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)cc2)CCO1 1555993469 OTMUIJXTNRPAMH-MRXNPFEDSA-N 423.864 1.869 30 10 HDEE CN1C[C@@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1557385706 IMMDNXHTECDICD-IRXDYDNUSA-N 416.478 1.128 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCCS(=O)(=O)C(F)(F)F)c1ccccc1 1557453640 OPWRWOKSTDSPJU-UHFFFAOYSA-N 405.398 1.764 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](O)[C@H](F)C2)cc1[N+](=O)[O-] 1558744527 JAORUZLWWHBGCR-GDBMZVCRSA-N 417.397 1.925 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1nnc2c(=O)[nH]ccn12 1560112349 AWNUXXYVFXLGPC-ZDUSSCGKSA-N 411.491 1.740 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 1566322309 UYFBDQPPWPZXCU-UHFFFAOYSA-N 422.459 1.383 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1584198396 GJFBDWJTAAPUDV-PMACEKPBSA-N 414.355 1.965 30 10 HDEE C#CC1(O)CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CC1 1585305262 RRMLZVNEYHDMOQ-UHFFFAOYSA-N 408.495 1.794 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1586230305 IEMQKFLEZXWOKJ-RTBURBONSA-N 421.567 1.855 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)n1 1587096309 HBCJBWFMGIRIFI-UHFFFAOYSA-N 403.464 1.182 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1588029837 MSSPIZMXGKDQQU-BZUAXINKSA-N 407.540 1.404 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1588029970 NIVNYWANSBHPIZ-KRWDZBQOSA-N 418.567 1.867 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1 1588262460 FCTHQTBVTYPHKL-KRWDZBQOSA-N 402.543 1.915 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCSC2)CC1 1588930340 SVCFBVLXBBGTGI-WMZOPIPTSA-N 417.579 1.891 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)COCCO2)CC1 1594192794 MCAHXLFUBJEPRN-KDOFPFPSSA-N 413.544 1.096 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1595884086 HGWOPNXMLVIOMG-OAHLLOKOSA-N 409.556 1.433 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CC#N)C(F)(F)F)cc1OC 1596782746 GKRJJQHIWORFMJ-CYBMUJFWSA-N 409.386 1.333 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1598278373 DJGRDAXEIHHKMU-GQIGUUNPSA-N 403.506 1.792 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)[C@@H](C)C1=O 1607493142 DLYBCVDXPMUBSU-INIZCTEOSA-N 423.521 1.598 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccc(F)cc1 1608399398 BEPWEFKTCXVWIU-PMACEKPBSA-N 418.448 1.905 30 10 HDEE CCN(CC1CCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1615545013 QYKQKROAQPTIDY-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1617180397 UPZNZYXSOLBJOY-LJQANCHMSA-N 424.505 1.681 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1620348433 VDEADANQCOWGAZ-WAOWUJCRSA-N 415.469 1.881 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCO[C@@](C)(C#N)C3)cc2F)C[C@@H](C)O1 1620623165 NGIHMLOKQGPONT-ZOCZFRKYSA-N 404.486 1.670 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1624023292 PYDBZYTUNHPKKI-HNNXBMFYSA-N 403.298 1.219 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C#N 1627431512 IFDDAMOYUKLKDK-UHFFFAOYSA-N 408.462 1.428 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H](C#N)CO 1627543668 NNYKJHPHWLEENJ-ROUUACIJSA-N 413.478 1.368 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ncco1 1627600851 WDQNUPBSZAZKTG-MRXNPFEDSA-N 410.455 1.813 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1 1629066507 ZQQBNGWXHMERLP-HNNXBMFYSA-N 407.448 1.498 30 10 HDEE CC(C)(C)OC(=O)C1(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCOCC1 1630344690 WOJIYRCFFARZOE-UHFFFAOYSA-N 411.462 1.947 30 10 HDEE N#Cc1cnn(C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c1N 1630733184 QVTCBJPOLXLPTO-UHFFFAOYSA-N 400.247 1.773 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]nc1Br 1631177554 MTOIDYOGMNIDBC-UHFFFAOYSA-N 412.269 1.630 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC(N)=O)c2cccc(C)c2)s1 1631489189 DAJGDZJONXTNGV-UHFFFAOYSA-N 421.544 1.972 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1 1632480606 GXZYEILPZGGGPQ-UHFFFAOYSA-N 403.464 1.476 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)C1CCOCC1 1632739807 RUVGDQHQNZHKOB-LSDHHAIUSA-N 405.476 1.368 30 10 HDEE Cn1c(S)nnc1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633105068 URXPYVZCVUKOGP-MLZJXEJWSA-N 420.539 1.549 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1633156195 LBFIVRFREIWDKR-CQSZACIVSA-N 423.963 1.953 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)C1 1634554774 IUUKLASPPBEQFA-IAGOWNOFSA-N 403.910 1.781 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H]3c4cc(Br)ccc4C[C@H]32)CC1 1634876603 WNBNLWGYOHYTER-NZSAHSFTSA-N 416.319 1.228 30 10 HDEE C=CCC[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1635697489 CGLKSAWLHUGUET-HUUCEWRRSA-N 411.499 1.516 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1636469313 LOJNWZKQDVJLMR-HKUYNNGSSA-N 408.520 1.876 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 1637033916 BZPXJHQPMDUIHM-IIBYNOLFSA-N 401.463 1.639 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1637185731 FYJXZXYHOWLWGV-MSOLQXFVSA-N 406.504 1.446 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCn2nc(C(F)(F)F)cc2C)n1 1638443354 NYSCBNIAQOFZOB-UHFFFAOYSA-N 412.416 1.898 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CN(C)CC1(C)C 1639135599 KJHJVIZJWDAJKF-DOTOQJQBSA-N 406.552 1.596 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)C1=O 1639593711 AFCAFMCBAOQCBM-CVEARBPZSA-N 409.527 1.942 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1639821914 OHQHMRZFKYWHKX-HNAYVOBHSA-N 411.524 1.420 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cccnc4C(N)=O)CC3)n[nH]2)cc1 1639989341 DXGAQOCJNYQCMX-UHFFFAOYSA-N 401.430 1.405 30 10 HDEE CCCOc1nc2ccccc2cc1/C=C\C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033544 CUZRWNOILWOASA-FPLPWBNLSA-N 419.441 1.987 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(F)c3)CC2)c1 1643026566 XQXQHLRZWHCHPI-UHFFFAOYSA-N 401.463 1.700 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C(=O)OCC)c2cccnc2)c1 1645220683 ORNBYBBDLVKFQD-SFHVURJKSA-N 415.471 1.370 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCOC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454770 PKIKHLCGLNOCHK-INIZCTEOSA-N 407.511 1.343 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1[C@H](CO)CC[C@H]1CO)CCCC2 1646476600 BNZMKASCSLZAOC-YESZJQIVSA-N 416.522 1.174 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC(NS(N)(=O)=O)CC2)ccc1Cl 1647983961 YHIRLTIPFWWDEX-UHFFFAOYSA-N 413.931 1.153 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1648780413 YTJVTTPQCOKILO-ZDUSSCGKSA-N 413.883 1.306 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nc(C(=O)OCC)ncc2Br)n1 1655440455 CQTCXTOZOUIBJG-UHFFFAOYSA-N 422.283 1.899 30 10 HDEE Cc1cccc(C#N)c1SCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1656837990 ORVFKXKPHPXNCR-UHFFFAOYSA-N 407.503 1.984 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)cc1 1665969897 STIOGASNRQACMF-IUODEOHRSA-N 401.510 1.190 30 10 HDEE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCO[C@H](C#N)C1 1666696729 AYQVQEUNUUZBLU-HXUWFJFHSA-N 406.552 1.832 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2nc3cc(S(N)(=O)=O)ccc3o2)cc1 1675584043 WHYKHRBYAGICHW-UHFFFAOYSA-N 400.416 1.809 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1 1677045904 ULARZHWJONPYFB-QGZVFWFLSA-N 421.339 1.975 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 1682788933 DFNYIGJQDCUEIS-UHFFFAOYSA-N 405.930 1.561 30 10 HDEE CON(C)C(=O)[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1684311113 BLSUDLXJCDPJRH-CQSZACIVSA-N 413.482 1.275 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1684425276 KFLPYZMPJVSAAD-QGZVFWFLSA-N 423.535 1.530 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1684984273 AIQFAGRBSANDET-UHFFFAOYSA-N 401.529 1.223 30 10 HDEE C[C@@]1(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCC(=O)N1 1686709929 ZVZNRYCOZQMHRX-FQEVSTJZSA-N 413.457 1.366 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1689948713 CWTLYEKLCAKJGW-UHFFFAOYSA-N 400.302 1.160 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CC)s1 1690104477 XWOLROZWWUBIPW-HNNXBMFYSA-N 422.576 1.938 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690163785 QQIXGHKOLNKEGR-INIZCTEOSA-N 419.938 1.916 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCCC)CC1 1690404529 HISLCQIWHZTDBR-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 1690411326 JYARXXZZURSAFF-APWZRJJASA-N 410.540 1.388 30 10 HDEE C=CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690493414 HLVSVYNDAIXAAA-OAQYLSRUSA-N 418.542 1.890 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)C1 1690687761 IWVPRTCMBGVBBA-JXFKEZNVSA-N 407.515 1.188 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1696663675 UFMOOOAZLIJNPD-UHFFFAOYSA-N 414.510 1.851 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1697988972 PQLRLWXGWXQPGS-LJQANCHMSA-N 409.494 1.514 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@@H]2CCCO2)CCO1 1698494604 XIWFSNITULIAQK-RCCFBDPRSA-N 405.499 1.834 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1705493268 FTHDIAVXNDLUTH-XLIONFOSSA-N 422.533 1.568 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705496119 ZYAHCHBHXJBPTD-VXGBXAGGSA-N 410.450 1.414 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(=O)NC(C)C)c1 1705508334 SQHBBNDKRAIAEJ-UHFFFAOYSA-N 412.494 1.395 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1OCC[C@H]1C 1705545424 ZYXSUSBXWAVDPD-CRAIPNDOSA-N 417.535 1.690 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1705547919 VGPFUVHOZGXXQF-QGZVFWFLSA-N 419.493 1.249 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705565086 SGWBQVSQHGEBOB-HNNXBMFYSA-N 405.524 1.335 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570225 LTKGKXKZFHKIKO-HZPDHXFCSA-N 421.592 1.832 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1705578652 AUSDFMDIHJJTCM-SFHVURJKSA-N 421.501 1.521 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705617954 NOQUFIBYXBLAMS-IRXDYDNUSA-N 403.506 1.620 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCC[C@H]2C)CC1 1705635317 WCBPHCQCYLKQTP-MOPGFXCFSA-N 404.559 1.242 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1705660746 FHMULXVSNBMKPZ-UHFFFAOYSA-N 411.539 1.210 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2noc(CC)n2)C1 1705913944 BXKCSQXWWPWGJS-CQSZACIVSA-N 403.487 1.386 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CC=CCO2)cc1 1712880436 JHMNYBAZXATZSO-LJQANCHMSA-N 422.489 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1722275719 BDBZYOSPISHCSB-AOMKIAJQSA-N 411.506 1.730 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1722296938 WEDDABWSAPTIFR-DEYYWGMASA-N 408.549 1.607 30 10 HDEE C#CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1722333269 UNSGDENUAANKSU-INIZCTEOSA-N 405.499 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC1(O)CCOCC1 1722387890 QEXBSHIWGODGJM-UHFFFAOYSA-N 422.489 1.320 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(O)CCCC2(C)C)CC1 1722450587 NEEAUSPJQHCDNG-QFIPXVFZSA-N 417.554 1.722 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722453349 RCLLUGVVTKVOKJ-SJORKVTESA-N 403.552 1.743 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1722706763 YFNQSAKXMAXJEV-NVXWUHKLSA-N 410.478 1.154 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cncn2)C1 1722719987 DKJZDQULEHWSLK-INIZCTEOSA-N 400.512 1.707 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCC)C1 1722729253 GYFRBSPDTDYZSR-SFHVURJKSA-N 419.551 1.870 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1723619705 AXUVDTKGAGZDJW-CVEARBPZSA-N 410.478 1.711 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOCC1(C)C 1726403260 FOTCKYCIKPGDHW-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1726722042 CDOGPJIHMQSUHZ-CYBMUJFWSA-N 420.420 1.335 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CC#N)CC1 1728629868 DRLUAQHXVNDVHN-SFHVURJKSA-N 413.574 1.835 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CC1 1730419710 PUNLFOWFQBQMJS-VQIMIIECSA-N 424.505 1.537 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)c1 1731180393 IAWXVPMGCYTOQW-KRWDZBQOSA-N 417.429 1.569 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1oc(CCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1740625112 MJVAOZRYYJCSAV-OAHLLOKOSA-N 405.524 1.764 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740667100 PVKRJYLOXULBQZ-LJQANCHMSA-N 411.554 1.686 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCC(O)CC2)CC1 1740696086 LQYFRASOMIEQDQ-UHFFFAOYSA-N 402.587 1.469 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H]21 1740750484 CHMREKQVHDMMGA-BIVLZKPYSA-N 409.556 1.858 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740835020 BIZNIKCCBJNRQP-RTWAWAEBSA-N 403.527 1.811 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740885229 BHVWOQCFSUAATN-GOSISDBHSA-N 403.527 1.966 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1740890009 QBYTYAQERPTCCD-UHFFFAOYSA-N 417.473 1.882 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1747338881 NIBLTMRZZYWQDL-HTXNQAPBSA-N 414.466 1.846 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1747665456 QJCZHXWBNVBABB-LJQANCHMSA-N 422.489 1.457 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747862887 LCFLXEFBAAWUDT-ZJYNUGOYSA-N 423.477 1.339 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnc2n1CCC2 1748773785 GBNREUWFGLRLNN-UHFFFAOYSA-N 401.272 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)F 1748835842 KFPKYEXPLUIBAB-UHFFFAOYSA-N 417.416 1.416 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1748994466 IOGLMJFASGIFGU-FGZHOGPDSA-N 423.561 1.870 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1749187487 NLTCQNKIMAIBNZ-UHFFFAOYSA-N 401.471 1.433 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749375368 ASJUSFTVAMUAOF-UHFFFAOYSA-N 418.542 1.344 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)cn1 1749851932 KZJJVESUXAPTBR-LJQANCHMSA-N 407.478 1.933 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1752423336 BNIOEQVRZSNALW-KRWDZBQOSA-N 420.521 1.907 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1COC)[C@@H]1CCS(=O)(=O)C1 1760189915 RNKVXKKCPQIFPS-LJQANCHMSA-N 414.531 1.977 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1760190744 YGRGANLHNPAIQR-HNNXBMFYSA-N 408.553 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1 1760206847 OOTVCBOUYZUEJH-UHFFFAOYSA-N 415.501 1.554 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1760224960 DOCWXTLIQFFTAM-DLBZAZTESA-N 410.588 1.612 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)CCCS2)CC1 1760262073 YNLDGJKLZGULGZ-FQEVSTJZSA-N 402.568 1.441 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H](COC)OC 1760298388 GHUCBILYTFRASE-FOIQADDNSA-N 417.535 1.923 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)C(=O)C1 1760309922 MCKVCEDBJPTXHS-UHFFFAOYSA-N 417.311 1.984 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1760461971 MTEAYAFOHSLHEO-INIZCTEOSA-N 403.508 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760520113 CPWRDNWYNGKUBP-OCCSQVGLSA-N 410.400 1.798 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760524172 QPMCGAJEUIXROV-FUHWJXTLSA-N 413.526 1.939 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnnn2C)C1 1760547337 IPRRCCWMIDNGGA-GOSISDBHSA-N 413.457 1.954 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CCC2)nnc1N1CCO[C@H](C#N)C1 1768426885 ATXIWJKOVTWGOJ-MSOLQXFVSA-N 415.542 1.217 30 10 HDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCCC1 1769758327 DISJMKHLEBFJQE-HNNXBMFYSA-N 424.571 1.978 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCOC2)c1 1770308409 FHXPQIOAZUXLGQ-HOCLYGCPSA-N 417.491 1.114 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCCN3CCC(C#N)CC3)CC2=O)c(OC)c1 1850671017 HKBUESCQJRQJOS-INIZCTEOSA-N 400.479 1.408 30 10 HDEE COc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)ccc1-n1cnc(C)c1 1851256133 XJBKEHVYVNZPNO-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE CN1CCN(c2nc(NC(=O)Cn3cnc4ccccc43)c(C#N)cc2C#N)CC1 1851714010 PMBWLXMYNFQHQB-UHFFFAOYSA-N 400.446 1.565 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)Cc3ccc4c(c3)OCCO4)CC2)nc1 1852755646 ZCBCEMOHZZEXEP-UHFFFAOYSA-N 408.458 1.632 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1853789753 NNNDTPRCCBDUCZ-HKUYNNGSSA-N 400.523 1.921 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)[C@@H]1C 1854267281 LBNIBHDKEAAIMH-HNNXBMFYSA-N 403.454 1.298 30 10 HDEE Cc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1854530832 PHPLKNYFXBVMDC-UHFFFAOYSA-N 412.471 1.714 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCCC[C@H](N4CCC(C#N)CC4)C3=O)c2n1 1855606814 ZWGHIKATGSGLFN-SFHVURJKSA-N 407.474 1.760 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)[C@H]1C 1856293361 PSNKMMDRNDUTOS-HUUCEWRRSA-N 406.508 1.302 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C1(C)C 1856774763 JHKCTUXLISMWJH-HZPDHXFCSA-N 404.511 1.156 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccnc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857299809 URUQMTNCTUKBQP-MAUKXSAKSA-N 407.474 1.337 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)C2CC3(CC3)C2)C1)C1CN(c2nccnc2C#N)C1 1857389792 RLMMUTAQUYDEFE-OAHLLOKOSA-N 408.506 1.424 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2Cc2ccccc2F)c1 1866913931 RJSVQYNBENQSFJ-WOJBJXKFSA-N 410.449 1.778 30 10 HDEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870098113 NMXYXCOXBCMIPL-UHFFFAOYSA-N 410.375 1.724 30 10 HDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870098115 NOJQUGWIYFMLRV-UHFFFAOYSA-N 414.359 1.577 30 10 HDEE C=CCn1c(C(=O)NCCCOCCCC)cc2c(N(CCO)CCO)ncnc21 1873593799 IHUJETOLCAJLLI-UHFFFAOYSA-N 419.526 1.345 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 1903642180 KLPQQUGPZSAWKQ-GFCCVEGCSA-N 411.283 1.239 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 1962795714 UQWIZCRGSPJFHS-CQSZACIVSA-N 404.529 1.244 30 10 HDEE C#C[C@]1(O)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029231456 VYLZGCAPCAFGGT-FQEVSTJZSA-N 404.488 1.243 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)S(=O)(=O)N1CC(C#N)C1 2118167774 BXYGTBXKHAMMOX-UHFFFAOYSA-N 400.423 1.466 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC#CCO 2221675471 ABSPYAYHPBJTGI-OAHLLOKOSA-N 411.296 1.997 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)CC2(C#N)CCC2)s[nH]1 2229892795 YOPPBSPEEFSWSO-UHFFFAOYSA-N 401.514 1.463 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)s2)OC1(C)C 2243405992 QJRILWYHFLMCSU-UHFFFAOYSA-N 418.246 1.798 30 10 HDEE CN(C)CCN(CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243674675 MJMUPBLKMXBQHE-UHFFFAOYSA-N 409.336 1.536 30 10 HDEE C[C@H](CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2247802682 VJEJMMYLUZGMES-VFNWGFHPSA-N 422.331 1.745 30 10 HDEE C[C@H](CN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247822254 GREYUNWFXXIXRC-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2248441347 LNCXNIOLLOUQJX-JKSUJKDBSA-N 422.331 1.915 30 10 HDEE C[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2250001315 UYURLGHTSJVLQH-OAHLLOKOSA-N 421.347 1.725 30 10 HDEE C#CCCN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258133351 HLHLVLXSUPZESM-KRWDZBQOSA-N 408.476 1.272 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@@H](N)C#Cc1cccc(Br)c1 2264113564 RSJVXODQCGVORN-HDMKZQKVSA-N 411.296 1.783 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC(CO)C3)cc2Cl)OC1(C)C 2267702216 CMGPEZCKMHRPJE-UHFFFAOYSA-N 407.750 1.750 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCOC[C@@H]3CO)c2Cl)OC1(C)C 2281933093 VAVHWXONUKJYRN-CMPLNLGQSA-N 401.721 1.828 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2281943030 LPVIQRDPZPXDJF-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282144587 ZHHBGSFZCCJGFB-MNOVXSKESA-N 400.331 1.090 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282308541 SKXVBSNERFXNQR-NSHDSACASA-N 423.387 1.067 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H]1CCCS1 2282338134 LSRWKCJJKPYVLZ-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344430 LCIWEIAMIFIZJQ-STQMWFEESA-N 401.359 1.829 30 10 HDEE CN(C)[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282352617 POEGNMAFYLQZRE-BETUJISGSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@]2(CF)CCNC2)OC1(C)C 2282500664 ZQEBUZVIIXXBKB-MRXNPFEDSA-N 404.338 1.168 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(N)CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2282824769 DUQUMNQPJYXBDM-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CCCO)s2)OC1(C)C 2282849536 CNLNBFYDNVLREW-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402429 JCHGRHRPNLFBKZ-JQWIXIFHSA-N 403.331 1.825 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)F 2284409309 HMKYZWXXNMVRBR-QPUJVOFHSA-N 407.294 1.445 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2302857569 VGRUSZCLXJXHQN-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1O 2330743711 ZDRJRNZLEIIFIV-UHFFFAOYSA-N 420.495 1.129 30 10 HDEE CCc1nnsc1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2360884579 PGQORJVGAGIQMU-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CCO[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365207186 MBDIKBDYYUETRU-CLCXKQKWSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2365212154 PBLIWRARXBORBP-CABCVRRESA-N 400.541 1.570 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367797889 OMJMDPKEVYSUSF-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 2367803060 HRPOTEQWHRMGFJ-JYJNAYRXSA-N 400.541 1.617 30 10 HDEE Cc1nc(C(=O)N[C@@H]2CC[C@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2368481884 UVEFSRIPEYAOIZ-GHMZBOCLSA-N 400.331 1.056 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc2C1=O 7174925 PNRFXKSJLDVYAB-NSHDSACASA-N 401.419 1.638 30 10 HDEE Cc1nn(C)c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 10051355 WGKBRQSCYRLICH-UHFFFAOYSA-N 415.519 1.374 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96353242 XCNYDNVLWWWGDM-UHFFFAOYSA-N 419.484 1.394 30 10 HDEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1 430374831 IDPQSDRFQKPNLM-AWEZNQCLSA-N 406.508 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)[nH]n2)CC1 434230946 JVBXKJPTSJOZIO-UHFFFAOYSA-N 413.478 1.154 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 440329021 MRGJMGRKRVDYAE-QGZVFWFLSA-N 410.405 1.908 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 442238823 DGHDDFYJPDAGTM-OAQYLSRUSA-N 424.549 1.871 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cn1 460769929 RDVHJGLOSHZFAE-UHFFFAOYSA-N 411.447 1.504 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461289000 BJMGTDWMLYQQMC-SFHVURJKSA-N 417.408 1.996 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2-c2ccc(Cl)s2)CC1 476034231 NNAUMWXYSDJVQB-UHFFFAOYSA-N 407.927 1.862 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2OCc2ccccc2F)CC1 478745451 KKZRCFFYWRRGRM-UHFFFAOYSA-N 412.465 1.860 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 479320747 VWOOHZLBOVENHW-LJQANCHMSA-N 418.563 1.723 30 10 HDEE COc1cc(OC)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(OC)c1 488230032 IFEDTGZIMCRFSC-UHFFFAOYSA-N 415.431 1.966 30 10 HDEE C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511117160 WGZZRWQQNCXIBA-IXDOHACOSA-N 404.536 1.652 30 10 HDEE CN1CCN([C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2)CC1 519146436 USTRMGKYWGFQIT-NRFANRHFSA-N 404.518 1.591 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc3c(c2)NC(=O)CO3)cc1 536129959 UKHAKIRRMNBWER-HNNXBMFYSA-N 409.427 1.438 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(OC)cc(C)n2)c1=O 539598324 JEPZNBMWZVNKGM-UHFFFAOYSA-N 414.531 1.451 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)O[C@H](CC)C1 549250761 IIEAYNPKPPGJSI-OAGGEKHMSA-N 413.544 1.191 30 10 HDEE COc1cc2c(cc1OC)CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 557432607 YTKLJWKRNKMONV-HXUWFJFHSA-N 414.550 1.797 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1)C(C)C 559867123 JONVHQZSYYCQBS-PGRDOPGGSA-N 407.555 1.598 30 10 HDEE CCOC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 582306791 FINDNIYATWMYFL-GOSISDBHSA-N 415.471 1.300 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CN1CCC(Oc2ccc(C#N)cc2F)CC1 583784692 QCSFCYAZBNNRBQ-UHFFFAOYSA-N 407.471 1.592 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N(C)CCCC)nc1C 586304358 PBBQGMOGKHWAHG-MHZLTWQESA-N 415.537 1.740 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)[C@@H](C)C(=O)OCCOC)cc21 586311885 BIJJBGZUZDRTKF-WXWKEVLISA-N 423.487 1.496 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCC1 589215159 NTUFWBIFHUBBMF-UHFFFAOYSA-N 411.549 1.974 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1C#N)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784748 DYSDKLROXWRJNK-HNNXBMFYSA-N 410.499 1.962 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@H]1CCCO1 614904079 NHLLFMKFEYWKRJ-QGZVFWFLSA-N 424.522 1.752 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727418604 UPKBOOLVEGOAEW-UHFFFAOYSA-N 418.478 1.783 30 10 HDEE COCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671514 JQYNUGNKEBXKAX-UHFFFAOYSA-N 410.499 1.322 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730405897 NFVRRIIKLBPLBC-INIZCTEOSA-N 420.878 1.866 30 10 HDEE CCCn1c(=O)n(CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc21 731862389 FKJIJYVLNYXRQH-VXPUYCOJSA-N 411.462 1.246 30 10 HDEE CCOc1ccccc1N1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 731862448 FUYMDBIGIYAIAM-MPHHAOFMSA-N 412.446 1.081 30 10 HDEE CC(C)C(=O)Nc1ccc(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 741340818 HFONGLBELXMGBP-XUTLUUPISA-N 413.430 1.924 30 10 HDEE Cc1ccc(N2CC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 745850639 AMBXGASOPUQRCF-LJQANCHMSA-N 404.474 1.899 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(-n3nnnc3SC)c2)cc1C#N 747496061 GPRVPYPRXXLXHY-UHFFFAOYSA-N 423.458 1.519 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1 749873704 GAEKUTWGIQXIBV-AWEZNQCLSA-N 409.508 1.631 30 10 HDEE CC#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 756139513 JJBPCYINXMVKMM-UHFFFAOYSA-N 415.309 1.613 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)ccc2c1=O 757104379 YASVDNPWUALORL-UHFFFAOYSA-N 407.517 1.520 30 10 HDEE Cc1oc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1S(=O)(=O)N(C)C 760403701 LTYPCAJEMVWHOI-UHFFFAOYSA-N 417.509 1.372 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 760993677 IQDPWRMBARXXMB-CQSZACIVSA-N 424.486 1.573 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CNC(=O)c2cccnc2)nc1C 765459035 SQTLNTXHCMHRDJ-UHFFFAOYSA-N 415.504 1.948 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767625713 DOWMMBXUBIIPPJ-GFCCVEGCSA-N 420.418 1.894 30 10 HDEE C#CCN(C(=O)N[C@@H](CN1CCOCC1)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 774156741 PGWAQJRPSPNHBT-PMACEKPBSA-N 419.547 1.200 30 10 HDEE N#CC1(c2ccc(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)CC1 777176952 RIIGEOBBIJUBJX-UHFFFAOYSA-N 407.426 1.976 30 10 HDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O 780207318 VBOCJQLKXGLZLL-SJKOYZFVSA-N 402.428 1.566 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 796096352 MAKSWOKOEWJXNL-KRWDZBQOSA-N 406.529 1.850 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CCO1 800021459 JWPZMOGYRKCFMV-HOTGVXAUSA-N 414.325 1.925 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 803699910 VFOLYDMMDYLBTL-UHFFFAOYSA-N 415.471 1.302 30 10 HDEE COCCN1CC[C@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 804896905 BJLADDWFMWMOIP-KRWDZBQOSA-N 412.515 1.740 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)C2=O)c(OC)c1 805442304 TXWPTQFKOVZUJR-QUCCMNQESA-N 409.442 1.526 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(-n4cccc4)ccn3)CC2)o1 805713264 LCZMWRWEJDQDLW-UHFFFAOYSA-N 420.429 1.546 30 10 HDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812135121 FJXIJLXEYVRKFQ-INIZCTEOSA-N 408.911 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 815556428 VCKXQWQJIPPGHM-ISLYRVAYSA-N 404.467 1.586 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)N2CCCC2)C1 916869843 VJACZAXSVXLIIS-CABCVRRESA-N 408.480 1.023 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N(CCc1ccccn1)Cc1cccnc1 1116884058 ADLJOIWTFONBLE-MRCUWXFGSA-N 420.473 1.757 30 10 HDEE Cn1nnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C(F)F 1134782597 MNGTWJJZCSSVHE-UHFFFAOYSA-N 424.433 1.664 30 10 HDEE Cc1nc(N2CCOCC2)ccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1137374158 ACILWIFCXZHOCF-UHFFFAOYSA-N 418.450 1.915 30 10 HDEE CO[C@](C)(CO)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1144183874 XANSNYKMZXGMKD-UWJYYQICSA-N 403.479 1.906 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)OCC)C1)c1cc[nH]n1 1154769673 QULROVPTWAGHCA-ZIAGYGMSSA-N 423.470 1.067 30 10 HDEE N#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(F)(F)F 1156052781 FFNQKYCEEVEWSJ-GXTWGEPZSA-N 405.398 1.718 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 1157759536 BBJBSPYZFDNDEW-CVEARBPZSA-N 419.478 1.274 30 10 HDEE C#CCN(CC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)C(=O)OC(C)(C)C 1157849740 RWKRNAUWQWJEDC-UONOGXRCSA-N 417.428 1.726 30 10 HDEE CN(CCN1CCN(Cc2ccccc2)CC1)Cc1cc(O)n2ncc(C#N)c2n1 1170182861 AHFIHAAHXYKUSO-UHFFFAOYSA-N 405.506 1.556 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1177745409 QLTPDYVDLULLSU-LBPRGKRZSA-N 402.432 1.901 30 10 HDEE C#CCN1CCC(NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 1178206877 BEDCLWONKMVNIK-HNNXBMFYSA-N 401.511 1.962 30 10 HDEE C=CCOc1c(Cl)cc(CN(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC 1204892109 VIENDBMDQZBBNU-CQSZACIVSA-N 416.927 1.649 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC(C)(C)S(C)(=O)=O)cc1 1214686670 DNCHRDIPGKALNX-UHFFFAOYSA-N 417.553 1.828 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1227630428 BJRGDHPSFPQGEF-DYESRHJHSA-N 414.462 1.023 30 10 HDEE C=CCn1cc(CNC(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)nn1 1230271455 FZMOQGGATMCUPJ-UHFFFAOYSA-N 414.420 1.650 30 10 HDEE COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1252115727 MHSIQVVVIAISOM-FTRWYGJKSA-N 418.519 1.101 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 1253348958 VVPDNEIJEMZWEN-OALUTQOASA-N 420.554 1.751 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1C 1256339121 CUJPVFQRISKZMU-UHFFFAOYSA-N 420.535 1.640 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1286376306 JFVSUBQKGQFOSR-HUUCEWRRSA-N 402.476 1.090 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1286447211 KKHGJZOXUCCDFU-MRXNPFEDSA-N 412.519 1.530 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCS(=O)(=O)C1 1286519699 ZZAIJGLJCUCCOX-MBOZVWFJSA-N 424.567 1.819 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)C)CC1 1286793189 ACRJKUOVLZGYTQ-HKUYNNGSSA-N 420.558 1.225 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1286949827 QISKKTUNBDQUKA-MRXNPFEDSA-N 420.420 1.801 30 10 HDEE C#CCOCCC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1288446411 AILNAMZTFYDRIF-NVWIJCSXSA-N 400.450 1.521 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)N(C)C 1288614411 FLPXYJRUFHVWBR-WMLDXEAASA-N 402.524 1.390 30 10 HDEE C#CCC1(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCOCC1 1288974537 MVIQJXLYBBXYPG-UHFFFAOYSA-N 405.248 1.734 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)NCC)cc2)s1 1290913992 JACKDTSBOATPIT-UHFFFAOYSA-N 421.544 1.821 30 10 HDEE CCCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1294411382 XTOLSVMTUVLEMU-GOSISDBHSA-N 415.542 1.394 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1300285190 XZIWYLGDZSDMNQ-AVYPCKFXSA-N 418.519 1.346 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1300381340 CGDDOULJRLYCTL-KRWDZBQOSA-N 402.543 1.519 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1300464407 DAEICJXKSXRQCC-QGZVFWFLSA-N 402.520 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1300537329 DUZDGFZBHPKSAJ-RCCFBDPRSA-N 404.536 1.314 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1300631112 LJZOJFAZFPOEOD-QGZVFWFLSA-N 400.479 1.670 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2OC)CC1 1300726874 SINBUHJWUIFFFV-IBGZPJMESA-N 423.517 1.805 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1C 1300733719 MNKIOWHUIYFSBB-UHFFFAOYSA-N 424.534 1.970 30 10 HDEE N#CC1(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CC2(CC2)C1 1301191338 GNPYQNIBKCUNEZ-UHFFFAOYSA-N 402.520 1.193 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301262453 UIGHWIAPAQKAIC-OAHLLOKOSA-N 418.498 1.243 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2ccc(O)cc2C1 1301505877 BRDIOAJKUIOAEN-UHFFFAOYSA-N 404.474 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301578358 YGNBIJUNWBGREM-CVEARBPZSA-N 421.523 1.181 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1301822997 RCFBOMHGZZVEBO-HUUCEWRRSA-N 414.911 1.565 30 10 HDEE C[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1302876280 XTPCEKHAIBTTEC-ZDUSSCGKSA-N 406.512 1.559 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N2 1304124906 BNKQLJDXJIHQRD-GOSISDBHSA-N 420.425 1.144 30 10 HDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2cc(-n3cnnn3)ccc2F)c1=O 1307388343 CWUSBDYPBZGROC-UHFFFAOYSA-N 407.287 1.492 30 10 HDEE C=CC[C@@H]1CCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1308140465 LFCZODXKTODBCJ-LJQANCHMSA-N 407.536 1.921 30 10 HDEE C#C[C@@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)C1CCOCC1 1311827915 DXLZVIRPXCAWOB-MRXNPFEDSA-N 408.296 1.907 30 10 HDEE C#CC[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1312322333 QAPMZZUZZFEJGR-IOBOIYPZSA-N 418.515 1.949 30 10 HDEE CCN(CCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1313799653 FHXYXRVLJKXRJX-JKSUJKDBSA-N 412.560 1.930 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN(CC)C2CC2)CCOC1 1314110740 AJGOISBABKSNKN-VQTJNVASSA-N 406.506 1.856 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1314729299 NBLXVLJQYQZQIM-LAUBAEHRSA-N 410.478 1.543 30 10 HDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 1315751180 CCPPWLOJIJWARX-CRAIPNDOSA-N 410.478 1.605 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1316115328 HBKYEBYNMABXMC-GVDBMIGSSA-N 404.515 1.263 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1320156667 LRZFJJFDKPOIAD-AWEZNQCLSA-N 414.911 1.778 30 10 HDEE C=C[C@H](COC)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 1347368907 BBNLVGAIDYNRKI-JRINFJIASA-N 406.482 1.783 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1355064740 DNJJCAADXRGCJB-CQSZACIVSA-N 404.854 1.865 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3ccccc3C#N)CC2)n1 1357995015 DVGVPFJGTIPFCQ-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(OCCOC)CCOCC1 1358895913 TWZGBXISIUQCJR-QGZVFWFLSA-N 419.526 1.071 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358956775 KMTWHBJQPZCFKC-PMPSAXMXSA-N 421.567 1.333 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358962905 YURZCNWFLXFFMN-WBVHZDCISA-N 419.507 1.144 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=C)Br 1358973856 IDECOBZTVKRLMQ-UHFFFAOYSA-N 423.278 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1358994193 HEIBTTKGNSATOA-LJQANCHMSA-N 417.473 1.923 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](OC)C2CC2)CC1 1359047335 CBSKESCCTQATDM-MSOLQXFVSA-N 401.511 1.520 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359214998 QZVCNSDUOCYKKE-QGZVFWFLSA-N 415.542 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(OCCOC)CC1 1359295311 XMWNDYZUABUUKP-UHFFFAOYSA-N 403.483 1.781 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)CC2=O)cn1 1435829020 YWTTZUPMBVOQNA-PBHICJAKSA-N 401.854 1.917 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1436963951 FGFOIMTXGXNYQT-GOEBONIOSA-N 419.503 1.667 30 10 HDEE Cc1nnc2n1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@@H]2C 1440291861 WSFDUJGYCXDUNF-WBMJQRKESA-N 407.434 1.267 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1440882145 WQYNGTZDEFUTDA-UHFFFAOYSA-N 408.483 1.713 30 10 HDEE COC(=O)CN(CCC(F)(F)F)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1445500036 TYTNMHRWHCVCRL-UHFFFAOYSA-N 421.397 1.365 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 1452422821 UIFJTPJQEZWGKC-SWYKZNPTSA-N 418.494 1.873 30 10 HDEE Cc1nc(COc2ccccc2C(=O)NCCn2cc(C#N)c(O)nc2=O)cs1 1453826933 HPAMDRQDNJVGOA-UHFFFAOYSA-N 411.443 1.595 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1453839496 LGEWYPXHUDZPKQ-INIZCTEOSA-N 403.504 1.127 30 10 HDEE N#Cc1ccc2nc(NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)[nH]c2c1 1454326420 HXWJFWMSPUMBDG-KDOFPFPSSA-N 407.405 1.717 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1454716222 VOOGQRKBBNFBHE-SCLBCKFNSA-N 404.891 1.939 30 10 HDEE O=C(c1ccc(O)cc1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1459686062 COBCBPRSZLXKLW-UHFFFAOYSA-N 403.438 1.450 30 10 HDEE N#Cc1cccc(OCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1463448019 NTIJZMRWZPPRNN-CZUORRHYSA-N 402.394 1.905 30 10 HDEE Cn1cc([C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C(F)(F)F)cn1 1467618025 NFSBTGCGWQSKBI-CYBMUJFWSA-N 404.345 1.890 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1470111384 HMXOCQTWZLAOKW-LLVKDONJSA-N 408.307 1.345 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C1CCOCC1 1470312067 NVRUWYSLJWRYMR-HNNXBMFYSA-N 415.309 1.515 30 10 HDEE Cc1ccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)cc1S(=O)(=O)NCC#N 1471986903 JNWLISPTWVMFEY-KRWDZBQOSA-N 421.519 1.191 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(CC1)C[C@@H](O)CNC2=O 1473852253 PWTUBBOCAZXEGJ-CHWSQXEVSA-N 402.520 1.398 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)CCO2)n(-c2ccc(F)cc2)c1C 1473894961 WEBFOBUXVRPDGF-UHFFFAOYSA-N 420.466 1.705 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)OCCO2 1475545135 RMVURQYYFMFYJW-LLVKDONJSA-N 404.282 1.927 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)c1 1475643593 HPFOFAGHQAGYIF-INIZCTEOSA-N 418.475 1.625 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3nn(C)cc3Br)CC2)c1C#N 1478669793 FYQIQJIKEWAAKP-UHFFFAOYSA-N 421.303 1.128 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)N2CCOCC2)cs1 1492664482 KWTFVCCLQXZCGW-AWEZNQCLSA-N 417.539 1.479 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1493263962 BIPRWPHSJAIQGN-KZNAEPCWSA-N 417.558 1.513 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC(C)(C)O1 1494234861 DDPSCGLAJNTIMZ-OAHLLOKOSA-N 407.482 1.897 30 10 HDEE CCc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499237744 FSTFYANYHZUWFU-ISLYRVAYSA-N 400.483 1.374 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1502472112 NUVIDYJMARNYBW-OAHLLOKOSA-N 415.479 1.304 30 10 HDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1503970369 GAVFTHWWSRZPMN-QZTJIDSGSA-N 415.519 1.865 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(CC)C(=O)OC(C)(C)C 1507613780 QSHHAIGEQWNQIV-HUUCEWRRSA-N 404.515 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC=C 1507671217 HGIMDXHSDYUHLK-SFHVURJKSA-N 419.551 1.430 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507785347 QAULVFNMRWHXBX-OLZOCXBDSA-N 419.345 1.704 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507865638 GBWRUNDQRTWEHM-UHFFFAOYSA-N 420.905 1.005 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507870205 FZHUOHSTHSGPIV-HNNXBMFYSA-N 412.947 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1508142942 HNQSTNVGLFTULF-UHFFFAOYSA-N 423.583 1.526 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1510285062 GVIOCQBZRRWTAU-LAUBAEHRSA-N 415.542 1.472 30 10 HDEE Cc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1510927860 QFBMSKSVUIKYPF-NQIIRXRSSA-N 412.494 1.799 30 10 HDEE CCc1nnc(N2CCC[C@@H](n3ccc(C(=O)NC)n3)C2)n1Cc1ccc(C#N)o1 1513889350 GXEGLJSFQYBPOC-CQSZACIVSA-N 408.466 1.751 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H](C)O1 1514141767 OEKPLPXBUIMPEB-MAUKXSAKSA-N 407.482 1.897 30 10 HDEE Cn1cc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1517367245 DJSHVKCYTQCUHM-PEZBUJJGSA-N 418.408 1.050 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521136432 FLFZZDNMXCAHAN-SJLPKXTDSA-N 412.469 1.443 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2CCO[C@H]2C2CC2)CCOCC1 1522193590 ARWBUXIIGYVGID-SLHNCBLASA-N 400.519 1.870 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)Nc3cnc(Cl)cc3C#N)cnc21 1525046178 ILAYRMPNULIAFC-UHFFFAOYSA-N 422.630 1.451 30 10 HDEE C#CCN(C(=O)COCCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1528600192 VGXOXVKCNCYUBM-INIZCTEOSA-N 414.321 1.657 30 10 HDEE COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccc1C#N 1532434668 OFHGBNHCVTWGQA-UHFFFAOYSA-N 419.434 1.979 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](C)Oc3cc(Br)ccc32)C1=O 1533966789 DKQSFKIGRPJUAO-SNVBAGLBSA-N 422.235 1.540 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1539015061 NRZFYUMJMIRZSA-SJLPKXTDSA-N 417.535 1.426 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539823373 BGRSVKJOCHQOLC-CQSZACIVSA-N 423.905 1.734 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1540859362 WPEWALQOMWLEIT-HNNXBMFYSA-N 417.583 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540863179 QTSNXMQVEQGSQM-LBPRGKRZSA-N 402.421 1.209 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC(C)C)CC1 1540870439 NIHQAEZSKLOWNJ-SFHVURJKSA-N 420.558 1.021 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOC2=O)C1 1540891152 PYYRJNGMPXMLSC-IRXDYDNUSA-N 405.499 1.796 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1541064418 LSGKYENIPPBRDW-LJQANCHMSA-N 421.505 1.448 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)N(C)C 1541840358 JIQOVCNRQRDNEZ-ZYSHUDEJSA-N 407.522 1.824 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)NC3CC3)CC2=O)cc1Cl 1544388416 CUEFQYWJGBXERC-CXAGYDPISA-N 400.866 1.834 30 10 HDEE CS(=O)(=O)N1CC[C@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 1544657231 FPPJSGAEKLIBGD-LLVKDONJSA-N 400.298 1.261 30 10 HDEE C[C@H]1N(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1545138821 FLGLTMRYRNJTQV-LTRYHMRKSA-N 400.483 1.686 30 10 HDEE COCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1555486756 LWTBUASCQMDHSX-INIZCTEOSA-N 418.885 1.627 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCc2cc(F)c(C#N)c(F)c2)nn1 1556318451 NCEJAFLRNJUKGK-UHFFFAOYSA-N 406.393 1.883 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)OC 1556375960 XNGYFMAPWRCYMI-VVLHAWIVSA-N 406.479 1.213 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 1558264696 XIATUGWMDFXQJX-LNSITVRQSA-N 419.425 1.841 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)NC)CC1 1558460110 OOJACYBMMRILPJ-CQSZACIVSA-N 402.923 1.303 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)C#Cc3ccc(C(F)(F)F)cc3)C2)cc1=O 1558583087 MWVXLTXYLFLOQJ-CQSZACIVSA-N 406.364 1.251 30 10 HDEE N#Cc1csc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 1558599264 MOGAMLFEIBQTGI-HNNXBMFYSA-N 410.459 1.181 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1558691809 SBXUFLJTGZEMFE-FQEVSTJZSA-N 410.495 1.317 30 10 HDEE COc1cc(Br)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1558806014 AQWZPYZBFNSPAE-UHFFFAOYSA-N 405.208 1.289 30 10 HDEE CO[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@](C)(CO)C1 1560062915 JOPIKHFMEXQQDW-ZJOUEHCJSA-N 404.486 1.006 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2nnc3c(=O)n(C)ccn23)cc1C 1560136534 WLUQBLPQCZJDKD-UHFFFAOYSA-N 407.478 1.424 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1561799136 LQDNXVRSYATAQX-INIZCTEOSA-N 414.549 1.486 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H]1CCOC1 1565052365 JDYCAGHQDOTGIN-UZLBHIALSA-N 409.490 1.990 30 10 HDEE CO[C@@H]1COCC[C@H]1N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1583481961 QFWCLQSNCMPNDV-BRWVUGGUSA-N 400.435 1.026 30 10 HDEE CC(C)(C)OC(=O)CN(CC1CC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1583697896 JTCMCCJZBRWQDW-UHFFFAOYSA-N 407.492 1.417 30 10 HDEE C=CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1587997404 GTGXJTQTMTUUCA-QGZVFWFLSA-N 405.520 1.578 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588025407 YUPSLYSKFSIOTR-CABCVRRESA-N 401.433 1.852 30 10 HDEE C#CCN(c1nnc(CC)n1CCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588058887 DZLYCWPEYNTLIF-SFHVURJKSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@@H]1COCCO1 1588113900 VFIZTXZTPQTFJS-GOSISDBHSA-N 410.474 1.841 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCCC)cc2Cl)CC1 1588199141 HQCDIYRQJJMJGG-UHFFFAOYSA-N 413.927 1.744 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@](=O)CC 1588481301 HHKCCUFQTCRENE-SFNQZPIRSA-N 417.510 1.777 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H](C)OC)CC1 1588763347 VOJYCWAVYUSLOH-MRXNPFEDSA-N 417.535 1.139 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1593740503 BKQMIPBHPBQQNG-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 1594014824 WLALRBYTSYBDSF-GFCCVEGCSA-N 411.557 1.447 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CC2)C1 1595674758 TWLJABVHXISIIJ-KBPBESRZSA-N 415.585 1.565 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1595895763 QCAMSTXNSLIBMH-UHFFFAOYSA-N 406.556 1.425 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)c1 1595922474 WDBWBBMSIGEHTR-AWEZNQCLSA-N 407.467 1.644 30 10 HDEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCO[C@@](C)(C#N)C1 1598179459 ZZPOSXTZKFSHQG-IBGZPJMESA-N 403.460 1.821 30 10 HDEE CCn1c(CN2CC(C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1617627499 FRNGEMKEAWTNEA-UHFFFAOYSA-N 403.508 1.423 30 10 HDEE NC(=O)C1CCN(c2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)CC1 1618150237 WOODNDZAWPTOKX-VZCXRCSSSA-N 411.462 1.243 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1618546238 SEMHEOFXNPZGQD-SFHVURJKSA-N 420.554 1.354 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ncccc3S(C)(=O)=O)n[nH]2)c1C 1623397080 JCNYREUCDHENIT-UHFFFAOYSA-N 414.491 1.805 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)/C=C\c1ccccc1C#N 1626727468 NBABKSMORQKKRU-WDZFZDKYSA-N 414.443 1.917 30 10 HDEE C#CCN(C(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C1CSC1 1629033897 NBKHZVCVESYNAE-UHFFFAOYSA-N 401.517 1.737 30 10 HDEE N#Cc1cn(CCC(=O)N2CC(Cc3ccccc3C(F)(F)F)C2)c(=O)nc1O 1630881949 FAXGPOJFROEICZ-UHFFFAOYSA-N 406.364 1.931 30 10 HDEE C=C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1633691256 HTUZLCRXKLZGQL-CQSZACIVSA-N 404.444 1.535 30 10 HDEE N#Cc1cncc(CNC(=O)CNC(=O)c2ccccc2I)c1 1635326141 SZCBRHBSOZGONJ-UHFFFAOYSA-N 420.210 1.604 30 10 HDEE O=C(CCC(=O)c1ccc(I)cc1)N[C@H]1CCN(O)C1=O 1636352888 OQVLTAQFCDSTFO-NSHDSACASA-N 402.188 1.360 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1636607609 ZRGFUIVUYGEWHN-CQSZACIVSA-N 411.480 1.370 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)n1 1643726097 VULJVOGCEFTURJ-INIZCTEOSA-N 402.476 1.724 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC[C@H](C(F)(F)F)O1 1645065587 RDRAGLSAFNDFMK-SMDDNHRTSA-N 419.425 1.731 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 1649041526 NJLKGXWACUKURP-KRWDZBQOSA-N 422.235 1.620 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)N(C2CCCC2)C2CC2)c1=O 1652998915 XQIVPOISTSMQLU-UHFFFAOYSA-N 416.478 1.157 30 10 HDEE N#CCOc1cccc(CC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)c1 1653357171 GHPSWKIHZOMRFK-HNNXBMFYSA-N 415.247 1.969 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NCCC(=O)Nc1sc2c(c1C#N)CCC2 1655032548 UWKUZUDELGWPBE-IBGZPJMESA-N 401.492 1.855 30 10 HDEE Cn1c2ccccc2c2cc(S(=O)(=O)NCCn3cc(C#N)c(O)nc3=O)ccc21 1656066739 CDADIKGNYNSBIT-UHFFFAOYSA-N 423.454 1.444 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c1 1656256252 SZSUSPNCCSIIEU-NRFANRHFSA-N 408.414 1.993 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1671150204 CQEIETFAULFKLP-SNVBAGLBSA-N 410.261 1.980 30 10 HDEE C#CCCN(CCOC)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1677397400 XWNYROZHLYYJGH-UHFFFAOYSA-N 417.506 1.990 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)CC1 1684361105 HRRFARYEBZNVTN-IBGZPJMESA-N 413.522 1.291 30 10 HDEE C#CCN(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1686851468 TVVBEBUGNHYEDI-CVEARBPZSA-N 400.541 1.822 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1690065273 RGNGNRVHFLVFFP-UHFFFAOYSA-N 414.535 1.948 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2CCS(=O)(=O)CC2)CC1 1690115304 APGBYSZFGOYGGP-UHFFFAOYSA-N 417.535 1.427 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(NC(C)=O)cc2)CC1 1690137969 NRLSSSUVNFVYSM-UHFFFAOYSA-N 408.506 1.753 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCC2)CC1 1690146773 WDKNWVZXWXSNOT-KRWDZBQOSA-N 401.511 1.401 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC 1690203305 XSXRFQLBIYGRGW-OAQYLSRUSA-N 405.462 1.722 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690236753 QVZKIUHZUCSMCU-JQHSSLGASA-N 418.542 1.455 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCNS(C)(=O)=O 1690243677 NVXJKMPGVMVMTR-WBVHZDCISA-N 422.555 1.250 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1690260744 WGBRSMFHQGMUDT-FQEVSTJZSA-N 420.535 1.906 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690461373 YWYDCNJTQJZIEC-AWEZNQCLSA-N 421.523 1.985 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cl)=C(Cl)C1 1690655060 FVTFEQFHTJWYNK-UHFFFAOYSA-N 413.309 1.716 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)nc2)C1 1690697136 PGEYKEMCKKUJAV-SJORKVTESA-N 411.510 1.520 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1693822583 LLUYLVNARYCHTO-BUNKOAGESA-N 421.505 1.883 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cnnn1 1694736052 XAGAEZPVBSISAX-UHFFFAOYSA-N 410.461 1.255 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOCC(F)F 1694739326 OENDFSKDBPMKTE-AWEZNQCLSA-N 420.468 1.889 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)C(=O)NC)CCOC1 1696045414 BZVIUORPTHETIO-NRFANRHFSA-N 418.542 1.832 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1696414151 POKZNUXWIBTFRZ-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CO[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697116624 FHJFPLLMNYRQKJ-JKSUJKDBSA-N 421.509 1.695 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1705565836 WWUAMKHKUBVLTH-SFHVURJKSA-N 423.498 1.721 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccco1 1705623978 MCIHADRUBIKSAJ-UHFFFAOYSA-N 404.434 1.648 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705762098 MGSZAQJGSBKSMX-BMGDILEWSA-N 422.961 1.871 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1705834778 RXARSDRXSTTWBA-XHSDSOJGSA-N 414.576 1.010 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)C)C1 1705907499 ORJHCPCQTGFABD-QGZVFWFLSA-N 401.515 1.303 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCO2)C1 1705917297 VWHVHYHQCFSOCZ-HRCADAONSA-N 413.544 1.239 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1705920077 POVFVAALTXBYPG-IBGZPJMESA-N 422.489 1.457 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](F)COC)C1 1705922194 HYDJPFPHLXBGLY-ZIAGYGMSSA-N 407.446 1.772 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1706594059 RZQNLMZPDIVQJM-JLTOFOAXSA-N 414.466 1.313 30 10 HDEE CN(C)CCOCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711017609 TWJYBNBQZABIBM-FQEVSTJZSA-N 424.553 1.019 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@@H]2CCOC2)C1=O 1711272005 KGLKQYOQLZKREU-JTSKRJEESA-N 424.505 1.680 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1712285303 NWMPYOSKZWHUSI-ZTFGCOKTSA-N 410.478 1.335 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)C1 1712694863 BLZHMKNFTNUIQA-QGZVFWFLSA-N 401.492 1.762 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1722301932 PCYHWJGUEWNPPW-GOSISDBHSA-N 422.533 1.743 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369163 ZGVVGCCMICPPJF-IKGGRYGDSA-N 410.540 1.080 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cnnn1 1722410296 ZOKWANNPLARKGQ-UHFFFAOYSA-N 402.466 1.667 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(C(=O)N(C)C)CCCC1 1722425401 XJRCYJAMXSJNTF-UHFFFAOYSA-N 411.510 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCO[C@@H]1C(=C)C 1722427668 RKFRSVDSAXAJBY-YLJYHZDGSA-N 401.511 1.468 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1722576724 ODHMFZVCKYNODY-UHFFFAOYSA-N 417.535 1.682 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1722619723 IPOKIHVAQIBFJK-MRXNPFEDSA-N 416.551 1.757 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1722629078 MKAMFCJKAPASMP-QGZVFWFLSA-N 423.521 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccsc1 1722730640 YCEXIWQOQPTNPJ-UHFFFAOYSA-N 423.564 1.699 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1726612569 AHHRWQPYPXONIW-GVOGQVFTSA-N 400.483 1.543 30 10 HDEE CCc1nnc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)s1 1727492520 VCTMLTSNOCAKRL-XLWVJDPXSA-N 421.502 1.906 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)CC1 1728601426 AEHCGHGIRPCXHX-SJORKVTESA-N 404.563 1.038 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1730763041 AHAQYAXCNITRMY-KRWDZBQOSA-N 418.523 1.065 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1730844231 SDCYYBFIYGRHRJ-LIRRHRJNSA-N 410.494 1.606 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1730942429 PEPIFYORUMSGRQ-HOTGVXAUSA-N 423.539 1.319 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2)CCO1 1731185784 DQFGMUOGJNUFLB-MRXNPFEDSA-N 400.870 1.945 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCCCO)c1 1740561846 CZYFDCRXWFQWQW-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740619885 AOMADWWWMCAFQW-QGZVFWFLSA-N 416.551 1.386 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1ccc(F)cc1 1740683913 RDFDSHOBFMXDLC-OAQYLSRUSA-N 410.453 1.868 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1740718341 MRHWFNNAAFILKM-QGZVFWFLSA-N 405.568 1.449 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740799153 GWIXANNPIXOCSG-HZPDHXFCSA-N 404.471 1.992 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740880031 BHYYSMGNJVCCMC-OAQYLSRUSA-N 420.558 1.310 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1740899889 QDSPRXVHCLTXLI-KRWDZBQOSA-N 405.524 1.590 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)CCOC1 1741724991 VJTPNDBYPFRFRU-MOPGFXCFSA-N 411.478 1.160 30 10 HDEE C[C@]1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1742016193 OPIUFXMSNXOJDM-YWZLYKJASA-N 417.441 1.530 30 10 HDEE CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1=O 1745728403 PDNHOIMVKKZKBJ-MRXNPFEDSA-N 411.466 1.191 30 10 HDEE CCN(C)C(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1745885585 HVBFYPPGUJQXBG-UHFFFAOYSA-N 420.477 1.812 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746465552 YDVABROYRMTPGL-GHTZIAJQSA-N 419.549 1.642 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN1CCN(CC)CC1 1747110858 BBXHDALLDNOYBT-XLIONFOSSA-N 407.538 1.530 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC[C@H]1COCCO1 1747705072 WSFMJQFNMFJWTG-IBGZPJMESA-N 407.478 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1748640444 VDOHCXJTUFNDET-HZPDHXFCSA-N 411.572 1.943 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1748717687 GCPZLBVSFYFBLG-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1nccnc1C 1748888326 SOQGBEBHHMSQSO-UHFFFAOYSA-N 417.473 1.810 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1749000314 REQZDKXGQNPSCH-HXUWFJFHSA-N 422.533 1.683 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)NCCC)CC1 1749008763 BHXNYKLCYQUCHB-UHFFFAOYSA-N 414.554 1.818 30 10 HDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1CCn1cncn1 1749083430 AITATQRYHFZUQM-UHFFFAOYSA-N 408.466 1.897 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1Cc1nnc2n1CCC2 1749824228 BLCNGPDVZNUXBQ-UHFFFAOYSA-N 422.493 1.906 30 10 HDEE CC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1750046295 WUXYYUBSPKGKEZ-FQEVSTJZSA-N 400.458 1.868 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1750380205 MBAFMKPUZKJUCO-PRHODGIISA-N 407.194 1.659 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCOCC1CCOCC1 1750926392 UTIFLFIOCASMLH-UHFFFAOYSA-N 418.542 1.990 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCN(C)C 1752727274 AFJZSOJFNMHONK-HNNXBMFYSA-N 413.526 1.905 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1760229459 RZVHOFAQIIKEKU-UHFFFAOYSA-N 417.897 1.925 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCCC2)CC1 1760267788 AGNGNMVYBMTVAJ-UHFFFAOYSA-N 410.522 1.555 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760345902 YQTROBLAJHIRMI-MISYRCLQSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(C)o1 1760527315 RZSAETFZDNASIG-MRXNPFEDSA-N 412.494 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](C)C1 1760548797 PLEMVPMJMDKKON-MRXNPFEDSA-N 409.556 1.741 30 10 HDEE CCOCCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768107139 PULMCDBUYYJANM-ZZEZOPTASA-N 410.478 1.944 30 10 HDEE COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769852948 VUTAQVNMLQLXEX-UAGQMJEPSA-N 418.523 1.278 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CCN(C)CC1 1771410823 DOULHLRRNKCZSK-GJZGRUSLSA-N 405.572 1.795 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)CCO1 1771539269 SHJQLYWCBZNGIT-KBPBESRZSA-N 402.480 1.035 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(C)C)[C@@H]1CCN(C)C1=O 1848802617 ULVDLPCIVMAMJO-IEBWSBKVSA-N 421.563 1.852 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)NCC#CCN1CCc2ccccc2C1 1850275133 XELZXHLRTFBPAT-IBGZPJMESA-N 408.527 1.767 30 10 HDEE N#CC1CCN(C(=O)CN2N=C(c3nc(-c4cccc(F)c4)no3)CCC2=O)CC1 1850851800 HVHFYAJDWOEGNP-UHFFFAOYSA-N 410.409 1.964 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)[C@@H]1C 1854143237 ZWMHAQNPPDCXGJ-ZDUSSCGKSA-N 416.434 1.463 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@@H]4CCCCO4)C(=O)C3)C2)cc1 1854166941 BDMHJQIGXJYTNI-SFTDATJTSA-N 410.518 1.763 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2sc(C)nc2C)C1=O 1854351750 JUQCZDBAMSBVLV-HOTGVXAUSA-N 404.536 2.000 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCCC[C@H](N2CCN(S(=O)(=O)C(C)C)CC2)C1=O 1854565892 AASZJCKOIGWVFE-MSOLQXFVSA-N 413.584 1.852 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2=O)CC1 1854724356 CRPDATUGASWCQZ-HZPDHXFCSA-N 402.520 1.758 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(c4cccc(C)n4)CC3)C2=O)CC1=O 1854928918 TTYMTPHCEFKYPT-AZUAARDMSA-N 410.518 1.731 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)c(C)c1 1855806550 CIAHEBQIFDICPD-HNNXBMFYSA-N 412.471 1.632 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1855853429 HBGWWODSMXBECH-HNNXBMFYSA-N 423.922 1.724 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN(CCn4nccn4)CC3)CC2=O)cc1 1855960814 ZRCZFOYNADGUPG-HXUWFJFHSA-N 406.490 1.480 30 10 HDEE C[C@H]1CCN(C)c2c(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)cccc21 1855998772 DGAUWFGJWNVCQO-AWEZNQCLSA-N 418.519 1.546 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N(C)CCC#N)C1=O)n1nc(-c2ccc(F)cc2)ccc1=O 1856488580 IWPGHSNMQVZQLQ-KBXCAEBGSA-N 411.437 1.583 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1856797267 MXUDMSWIWZVTMC-YJBOKZPZSA-N 411.568 1.605 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857056421 NANKFWWJBPFPDY-APWZRJJASA-N 401.482 1.852 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1=O 1857167079 ITTJESSKTVEEJO-MRXNPFEDSA-N 418.448 1.422 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C2=O)CC1 1857197688 UBPCVZYKVLBHDS-SFHVURJKSA-N 414.485 1.585 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)c1 1857300963 ZZIZLEOTNIYRMY-GOSISDBHSA-N 424.892 1.759 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)C2CC(C)(C)C2)C1)C1CN(c2nccnc2C#N)C1 1857380939 HILKZXJUPUAFPO-OAHLLOKOSA-N 410.522 1.670 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnccn1 1857484421 MZZSZJFRLVDVMM-UHFFFAOYSA-N 400.460 1.793 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1857492567 RSKQNSDKTMAISO-OALUTQOASA-N 419.547 1.784 30 10 HDEE COc1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1S(C)(=O)=O 1866891601 YBHZXPKDVXYOCF-LBPRGKRZSA-N 401.444 1.727 30 10 HDEE N#Cc1ccccc1NC(=O)CNC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1873868695 NJZMHEDDPARDTJ-UHFFFAOYSA-N 421.457 1.753 30 10 HDEE O=C(Cn1nc(-c2ccco2)ccc1=O)NCC#CCN1CCc2ccccc2C1 1890390010 ZWXRXENJCNRKHI-UHFFFAOYSA-N 402.454 1.681 30 10 HDEE COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1C#N 1891089600 QDISXBQOKQSNRQ-OAHLLOKOSA-N 404.448 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010406204 RAHXCLRBXKQTFA-UHFFFAOYSA-N 418.303 1.971 30 10 HDEE C#CCN([C@@H]1CCOC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023794 VQPKQZFZFKJCOE-KUHUBIRLSA-N 408.451 1.065 30 10 HDEE C=CCN(C)S(=O)(=O)NCc1nn(C)c(Cl)c1I 2054054755 FTCDTLWHGLEPCG-UHFFFAOYSA-N 404.661 1.130 30 10 HDEE CN1CCN(c2ncc(Br)cc2C#N)[C@@H](CNC(=O)C(F)(F)F)C1 2054429617 ZVUINDSTPWWBTR-NSHDSACASA-N 406.206 1.515 30 10 HDEE C=C1CC(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2077092239 MIROEDVKMRCJBL-KRWDZBQOSA-N 410.423 1.104 30 10 HDEE Cn1nc(CNC(=O)c2ccc(C#N)cn2)c(I)c1Cl 2174389805 FPFQLYRQQXJZLE-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)N2CCC[C@H](C#N)C2)CC1 2174779199 GSBHUPQGDUMTNC-ZJAKNDGXSA-N 420.557 1.622 30 10 HDEE CCOCCCS(=O)(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186628513 QKFDDCIIYSTCOY-GFCCVEGCSA-N 404.363 1.849 30 10 HDEE CC(C)CN(CC#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2233092768 QDUVMFBKXPVMSI-AWEZNQCLSA-N 401.529 1.807 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCCOCCOCCNC(=O)OC(C)(C)C 2233919370 VNJTYYDDSYZFID-OAHLLOKOSA-N 407.533 1.259 30 10 HDEE C=CC[C@@](C)(NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)F 2258163111 ZDSATQUWPQRNSI-SUMWQHHRSA-N 420.434 1.885 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258173505 ZTFCGIWJXVOVQU-HNNXBMFYSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)c2Cl)OC1(C)C 2267192870 XFSNWHXQENRDKD-SECBINFHSA-N 403.718 1.741 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CC[C@@H]3N)cc2Cl)OC1(C)C 2271976468 XMMNGUDTOSOREN-KOLCDFICSA-N 406.766 1.716 30 10 HDEE C#CC1CC(NC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)(C(=O)O)C1 2281282531 ZTMUCSVMBHOFLL-SHZMDRSXSA-N 414.458 1.785 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCC(C)(C)S(C)(=O)=O 2281945519 HHQQQDQUEGAWBG-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE Cc1sc(C(=O)N(C)CCS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281946136 OOKBIENENABJPX-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CNC(=O)CCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311141 DOTIEMRISKAQAP-UHFFFAOYSA-N 422.765 1.505 30 10 HDEE CN(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329861 SCYNSTQNFHLUKB-UONOGXRCSA-N 400.375 1.808 30 10 HDEE CC(C)[C@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353232 UIXLDGOPVYTPOI-SWLSCSKDSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCCNC3)ccc2Cl)OC1(C)C 2282488724 DLAGLMZRBJOSNK-LBPRGKRZSA-N 400.737 1.670 30 10 HDEE CCN(C(C)(C)CO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282490795 KWWHKOOIMRVVCR-UHFFFAOYSA-N 404.363 1.365 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCOC[C@@H]2F)OC1(C)C 2282501504 XXRPBIYJMZDRAD-STQMWFEESA-N 405.322 1.594 30 10 HDEE C[C@@H]1C[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503122 VFNXZKVHRTYDQS-NEPJUHHUSA-N 402.347 1.117 30 10 HDEE CNCCCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282824308 ADDRZVXPQAYAJS-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]3(C)CCNC3)c(Cl)c2)OC1(C)C 2282830159 PPZBJMSKJMUVEG-QGZVFWFLSA-N 400.737 1.670 30 10 HDEE Cc1cc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)sn1 2282833968 NKZIMVUGYPRDLC-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CCC[C@H](O)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839557 FUGHMMMAARAWIR-LBPRGKRZSA-N 404.363 1.413 30 10 HDEE COCCSCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282841802 YHQINBYUUAGXME-UHFFFAOYSA-N 421.415 1.846 30 10 HDEE CN(C)CC1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCC1 2282848291 LURDJORBNLRDQR-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)OC1(C)C 2282851810 HLUHEHYLFXTEDG-JOCQHMNTSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284396000 RWUBJNSWNBLMOJ-LLVKDONJSA-N 401.315 1.512 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 2284397018 HMHCZYGVTLAADQ-QWRGUYRKSA-N 401.315 1.389 30 10 HDEE COc1ccc(CNS(=O)(=O)CCSC)cc1B1OC(C)(C)C(C)(C)O1 2296216758 NJPBALNLLBNYHK-UHFFFAOYSA-N 401.359 1.777 30 10 HDEE N#Cc1ccnc(N2CCC[C@H](c3nc(=N)[nH]cc3-c3cccc(C(N)=O)c3)C2)n1 2296587893 UAHCVDSMWNPFPR-HNNXBMFYSA-N 400.446 1.701 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)cnc1C#N 2312326061 MNPDGILXCOZQLE-MJBXVCDLSA-N 413.272 1.469 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1N=Cc1ccc[nH]1 2330731364 CLZWZOBSRMERDX-UHFFFAOYSA-N 415.454 1.994 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1 2330742548 NXCUSVDYPBYGHE-UHFFFAOYSA-N 404.496 1.423 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367799397 ALVNBJPSNGBDAR-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccnc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102552289 XTIFYROYULNBNF-FXBHHXAOSA-N 413.386 1.420 30 10 HDEE C=CCn1c(CCc2ccccc2)nnc1Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 105155761 OWUYKISXEUHFGH-UHFFFAOYSA-N 423.502 1.674 30 10 HDEE COc1ccccc1CN1C(=NC(=O)CCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 254836392 NRDJKVXKBQPVOZ-JSGCOSHPSA-N 412.489 1.157 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(Cc2ccco2)c1C 434777005 PCYIEWNZCMIZCG-NRFANRHFSA-N 424.461 1.230 30 10 HDEE CCN(Cc1cn(C)nn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 461625151 JPLZEEJOSKENSW-QGZVFWFLSA-N 422.493 1.920 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)cn1 473674863 HAJTXFLIBSEHRA-ZDUSSCGKSA-N 409.265 1.747 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@@]4(C)C3=CC[C@]21C 504624368 YGJGUDWTWGIYMD-BJAMVBBPSA-N 418.461 1.997 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C 505660965 NDEWUWPQWUPORR-UHFFFAOYSA-N 421.526 1.279 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1 506955178 RUEPSZOUBFHSFF-UHFFFAOYSA-N 420.535 1.865 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)N(C)C)CC1 508893336 IYWAJJGFNFCCCK-RXVVDRJESA-N 401.555 1.616 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 508961445 NCVHWYKCQILRFR-QGZVFWFLSA-N 421.509 1.848 30 10 HDEE C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511117158 WGZZRWQQNCXIBA-BBWFWOEESA-N 404.536 1.652 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(-n3nc(C)cc3C)ccc2Cl)CC1 512713605 DRLDZECQAQHRNP-UHFFFAOYSA-N 416.913 1.598 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 533283967 QRVGGGDWICLPEQ-NRFANRHFSA-N 421.549 1.784 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(c2ccnc(N(C)C)n2)CC1 533532477 MGNMQEBXYBYDLB-GOSISDBHSA-N 407.522 2.000 30 10 HDEE COC[C@](C)(C#N)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 536073634 ULWFFUYGYCQXFS-ABAIWWIYSA-N 403.298 1.904 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)ccc1Cl 539385483 RXIZEXFHYWTMJN-IUODEOHRSA-N 404.897 1.226 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@H]2CCCCO2)c1 555478766 APIJAEVCQXEVHS-VQTJNVASSA-N 408.506 1.907 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 563322204 ZYRSFTNTVCPJFQ-SFHVURJKSA-N 423.538 1.651 30 10 HDEE C=CCOC[C@@H]1NC(=O)N(Cc2ccccc2CS(=O)(=O)N2CCCC2)C1=O 567299427 SWEXOPHFASZLJW-KRWDZBQOSA-N 407.492 1.235 30 10 HDEE COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC)c1OC 572448053 MBAHBKBSHDITSI-UHFFFAOYSA-N 405.432 1.501 30 10 HDEE C=CCn1c(Cc2noc(C[C@@H](O)Cc3ccccc3)n2)nnc1N1CCOCC1 576746607 HJVXVXLFEMOMQJ-KRWDZBQOSA-N 410.478 1.421 30 10 HDEE COc1ccc(CN([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)CC2(C#N)CCC2)cc1 580741131 KUPJYAILIGMRBH-MRXNPFEDSA-N 412.533 1.708 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSC[C@H]2CCCCO2)CC1 608931304 OKLSBLSQHZOFHB-QGZVFWFLSA-N 423.560 1.693 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)NCc2cc3cccnc3cc2Br)CCO1 619712415 WGKICNKTIAOUOM-CYBMUJFWSA-N 411.281 1.556 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C#N 675033757 OHXUJZYSNSMZHD-UHFFFAOYSA-N 415.471 1.802 30 10 HDEE CO[C@H](O)C(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 675083801 UCCNAQVBEVBWAA-ZYTUZVRFSA-N 422.493 1.868 30 10 HDEE in-vitro N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1C1CC1 732652261 SYGNELMVRSPTMT-CRAIPNDOSA-N 420.510 1.425 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 734293684 HMQVUILEBADCFX-UHFFFAOYSA-N 412.427 1.037 30 10 HDEE Cc1cc(C(=O)COC(=O)c2ccc(C#N)nc2)c(C)n1[C@H]1CCS(=O)(=O)C1 734602731 WZEAEIPTDUAXFO-INIZCTEOSA-N 401.444 1.771 30 10 HDEE CN(CCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C1=NS(=O)(=O)c2ccccc21 741930022 YZYUUVXTHAGWFQ-MRXNPFEDSA-N 415.519 1.046 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 749201201 YRAIAKYUTCDQJP-CWLKWCNXSA-N 400.431 1.333 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1OC 751553558 DDNUFYWSRQYSDE-INIZCTEOSA-N 411.483 1.441 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ccccc1)c1nc[nH]n1 756107482 BIROAZXPDBSSHU-SFHVURJKSA-N 424.486 1.529 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758644827 NCAHOPUJWKWSSP-ZFWWWQNUSA-N 423.491 1.819 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCO)Cc2ccccc2OC)ccc1F 759625231 HDMMGYYIVXFISU-UHFFFAOYSA-N 422.478 1.933 30 10 HDEE Cn1c(S)nc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc2c1=O 761042416 JEFFSWWNRSKILY-UHFFFAOYSA-N 406.471 1.451 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 766450235 UAYTWBXKQKXEJI-TZMCWYRMSA-N 412.870 1.481 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](OCc2c(C)noc2C)C1)c1cc[nH]n1 772549580 SFTMEXAOMDAQBG-CQSZACIVSA-N 419.438 1.116 30 10 HDEE C#CCN(C(=O)Nc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 774015159 JZXIXRIUZZNQAL-LLVKDONJSA-N 418.256 1.945 30 10 HDEE COCc1nc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)co1 774160351 ARTJHEAXVDJTJE-UHFFFAOYSA-N 400.210 1.574 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774195720 LBZJZPFMKQARIV-QFBILLFUSA-N 405.520 1.416 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OCCCOC)[C@@H]1CCS(=O)(=O)C1 774251114 NAFCTKPZKKWYOS-GOSISDBHSA-N 408.520 1.742 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 783018376 RZYUFVRDXJVZOO-IRXDYDNUSA-N 423.558 1.452 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccnc(N3CCOCC3)c2)n1 788862175 XDVGVTCTEDXPDO-UHFFFAOYSA-N 412.494 1.106 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)C[C@@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 791853782 TYBWMXDBASQQKH-KDOFPFPSSA-N 402.513 1.815 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796421014 TZYBEWSHVYGLGU-SIXWZSSISA-N 417.510 1.660 30 10 HDEE CS(=O)(=O)N1CC[C@H](COC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 801261073 LWQYBWRFBUMGAH-INIZCTEOSA-N 407.492 1.538 30 10 HDEE N#C[C@@H](C(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1)c1nc2ccccc2s1 801979260 XOGOOBCUADDDKB-HNNXBMFYSA-N 418.544 1.972 30 10 HDEE C[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1C(=O)c2ccccc2C1=O 813516305 HRWBDFJIJKDBMZ-IOASZLSFSA-N 412.446 1.546 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 917118894 ODBXSYISQGULPC-UHFFFAOYSA-N 404.430 1.707 30 10 HDEE COCCOc1cc2c(cc1C=NN=C1NS(=O)(=O)c3ccccc31)OCO2 920750612 DWQMMTSDIINMMP-UHFFFAOYSA-N 403.416 1.513 30 10 HDEE CCCOC(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)n1 1084121194 JEWNQKZFRKUYKW-UHFFFAOYSA-N 410.412 1.918 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 1127474815 ZOLYPPWIGKRNSW-CYBMUJFWSA-N 415.837 1.747 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1129171649 HHNQBVXDOALHIT-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE N#Cc1ccc(C2(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CCC2)cc1 1130223080 NDBYKRURBKXWOS-MRXNPFEDSA-N 414.487 1.219 30 10 HDEE Cc1c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1134282181 FAKAVPYLQPYKFV-QGZVFWFLSA-N 419.441 1.026 30 10 HDEE C[C@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H](C)S(C)(=O)=O 1136570323 DEQRVZFMLHKBRV-LSDHHAIUSA-N 400.504 1.824 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(CC(=O)NC4CC4)c3)n[nH]2)c1C 1141896800 SPIQKQSEXHGYTC-UHFFFAOYSA-N 408.466 1.803 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1142008123 PSCASLUWEFEHJT-MRXNPFEDSA-N 414.439 1.690 30 10 HDEE O=C(NCC#CCO)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1155733823 ZXPRYEOCFPCBJH-GOEBONIOSA-N 414.321 1.154 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2cc(Cn3cc(Br)cn3)on2)cc1 1155847089 RXGCEOALKVKYQT-UHFFFAOYSA-N 420.223 1.731 30 10 HDEE CC(C)(C)OC(=O)CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CCOCC1 1163317286 UNRSXOCNRXLVBY-VXPUYCOJSA-N 421.494 1.642 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)[C@](C)(O)c1ccccc1 1164485813 NAELLQCTURGUDW-MDOVXXIYSA-N 401.488 1.637 30 10 HDEE N#Cc1cn(CC(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)nc1O 1165743059 FHRFFUFVKANPLK-UHFFFAOYSA-N 408.245 1.476 30 10 HDEE C#Cc1cncc(C(=O)N2CCC(n3nncc3I)CC2)c1 1166781807 STLFKAQEMSUYMV-UHFFFAOYSA-N 407.215 1.736 30 10 HDEE C=CCc1ccc(OCC(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c(OC)c1 1167854007 ICYCWKKNIKXYSK-UHFFFAOYSA-N 408.451 1.905 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1 1177758830 HDOCRNFXIATQHY-QGZVFWFLSA-N 412.519 1.373 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 1191962385 SUPRSNDHHSAWIF-QGZVFWFLSA-N 405.520 1.528 30 10 HDEE C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1195567596 NHBRIDNNIKWHSV-IRXDYDNUSA-N 405.520 1.380 30 10 HDEE C#CCOCCN(C)S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1196164372 RNLDWBUNCCQRBK-NRFANRHFSA-N 409.327 1.732 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1213278605 FNWAASCRVYSHGA-XUSGNXJCSA-N 409.327 1.779 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nnc3ccc(Cl)cn23)c1 1213636249 JJFBBJZWLNUFIL-UHFFFAOYSA-N 405.867 1.777 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1225052325 PSFWBHJPEAXALP-IBGZPJMESA-N 404.536 1.775 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCn2ncc(I)c2C1 1228701181 LPXDTOCXDCUBMY-YPMHNXCESA-N 402.236 1.747 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nn1 1252076583 JAOOFFXEDJNQGM-UHFFFAOYSA-N 412.450 1.753 30 10 HDEE C#Cc1ccc([C@H](OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)cc1 1272444889 WARQIGMCURIMLB-WLGNDBIMSA-N 407.344 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1286272877 CHHDRZUYFQIMQR-LVCYWYKZSA-N 405.543 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286277376 YGEXIFZDEOYPDM-HJPURHCSSA-N 423.517 1.722 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@@H](F)C2)CC1 1286469712 JWCCLXGIIHGBDV-DLBZAZTESA-N 411.485 1.819 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1286506114 FJAWBDMUQSQRCN-MRXNPFEDSA-N 418.567 1.533 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1286574135 UTCJZLWFAZGETM-VLIAUNLRSA-N 403.483 1.948 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1286594150 CJDBNUOWDNDAKP-UHFFFAOYSA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1286782583 ZAJRSUMDQOTHNV-KRWDZBQOSA-N 408.462 1.508 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286786301 QTYZFNYXMBLCIG-GOSISDBHSA-N 401.559 1.064 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)F)C1 1286808952 OGXBVMLZTVRCAD-CQSZACIVSA-N 406.437 1.811 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)cc1 1289361066 AMPJHVHENSNSOK-DOTOQJQBSA-N 407.492 1.146 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(C)(=O)=O 1293066201 BZEZEAQGCBEWFL-UHFFFAOYSA-N 402.524 1.473 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C[C@@H](c3nccn3C)C(F)(F)F)CC2)c1C#N 1296471566 GUNKTZRFWUHWGW-AWEZNQCLSA-N 409.416 1.719 30 10 HDEE CCS(=O)(=O)NCCCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297767495 LDCIODFVSQSRFN-QGZVFWFLSA-N 421.571 1.052 30 10 HDEE C#CCN(CC(=O)N1CCN(c2snc(C)c2C#N)CC1)C(=O)OC(C)(C)C 1298722421 NOLIUUINPAVCNV-UHFFFAOYSA-N 403.508 1.842 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1299332898 FOJWXHXVXSYBHJ-INIZCTEOSA-N 417.491 1.251 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1300271106 GVFWQEJHJMVTJV-YESZJQIVSA-N 410.588 1.468 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1300321391 LQJNMNJSCABQMF-BFUOFWGJSA-N 400.508 1.206 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1300457794 AUJXPIGXXNDXKM-KRWDZBQOSA-N 402.520 1.888 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1300501890 OBJGFPYTLLNKGV-IXDOHACOSA-N 419.551 1.388 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC)CC1 1300730964 IPRVTLHLZXDJCJ-UHFFFAOYSA-N 414.535 1.645 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300775967 DATLHUHYKIOHTA-UHFFFAOYSA-N 406.556 1.519 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)CC1 1300831040 QGOQALHWNDOTSW-LBPRGKRZSA-N 407.334 1.479 30 10 HDEE COC(=O)[C@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCC(C)(C)C1 1300996445 MPHNNDJVMBXSIA-IBGZPJMESA-N 407.492 1.465 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CC)nc1C)C1CC1 1301313660 DWACVMDVVNRNTF-CYBMUJFWSA-N 408.528 1.950 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1301458897 IXQLEAJXNAOEOM-MOPGFXCFSA-N 416.570 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301588466 ZWSPDJQFICOGFM-CALCHBBNSA-N 422.482 1.170 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)ccc1F 1302326827 CQRZOGFNAIEKRO-KGLIPLIRSA-N 416.496 1.082 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1302368758 DDIPPBPWYDDGCH-SFHVURJKSA-N 423.521 1.194 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cncc(C#N)c1 1303863992 MTTRBWMJPYUSIK-KRWDZBQOSA-N 404.517 1.670 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1305262050 JFRKQSCYYJEKHZ-LJQANCHMSA-N 423.521 1.838 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)C[C@@H]3COc4ccccc4O3)C2)nc1 1309542029 GNVPVWPZZGHVKR-CVEARBPZSA-N 401.444 1.576 30 10 HDEE C#CCCS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1309917345 APVANGRXXVSYFK-ZDUSSCGKSA-N 418.256 1.117 30 10 HDEE COCCCN(C)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1316029649 AIJHROYFXZSGDN-HXUWFJFHSA-N 401.490 1.674 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1357657129 PBCXWADTISCPTQ-CVEARBPZSA-N 409.464 1.327 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1358999693 AEJFJKSVVKJMSK-MRXNPFEDSA-N 411.572 1.945 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1COCCO1 1359026122 LLGSYXGXOJUGPY-GOSISDBHSA-N 409.490 1.852 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)OC)C1 1359048226 JGPXWRTYVOLTNX-OAHLLOKOSA-N 421.567 1.952 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1359098710 FBFRMPJXBUYOAO-ZACQAIPSSA-N 410.540 1.736 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1359158210 JOGLBYNYFDJFDV-UHFFFAOYSA-N 415.586 1.697 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC2(CCCC2)C1 1359291514 SZJMRGAQEAMFHQ-UHFFFAOYSA-N 400.527 1.977 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCOC1 1359294164 MIDFEQRWYJMVEH-OAHLLOKOSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](CC)C1 1359298632 HHFHYADARIXCKY-HNNXBMFYSA-N 421.505 1.731 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359426757 UMJSMFSOWZZWJZ-JOCHJYFZSA-N 421.505 1.400 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359477197 SZNSIAGHBWBWEG-LSDHHAIUSA-N 419.530 1.910 30 10 HDEE COc1ccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1C#N 1438856243 RQNKPZHJGBBNRG-OAHLLOKOSA-N 402.451 1.261 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(OCC#N)c2)s1 1443915339 QREMCNHQLZDCEK-UHFFFAOYSA-N 405.501 1.974 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCC(=O)N1CCN(c2ccccc2)CC1 1444199660 NBQHQIZTNHVFDO-HXUWFJFHSA-N 400.523 1.703 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1456474114 HECCYHGCAAVDFL-HYVNUMGLSA-N 423.560 1.688 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@@H]32)c1 1457976657 YLJDIYHURGJAHP-ZYSHUDEJSA-N 401.875 1.944 30 10 HDEE Cc1ccc(C(=O)N2CC(OCC(=O)N(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1465658398 LKOTZYSZGJOINE-UHFFFAOYSA-N 402.300 1.223 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1470231535 SNUVTRRQYFRMCK-GOSISDBHSA-N 403.438 1.875 30 10 HDEE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1470361598 VBGTZLMMEKIBBY-UHFFFAOYSA-N 405.414 1.471 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471089635 LNWNZUALSFSEEF-BLLLJJGKSA-N 412.439 1.211 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2ccc(F)cc2C#N)CC1 1473726192 WAKVBEMECKQIPR-UNOMPAQXSA-N 418.494 1.799 30 10 HDEE N#C[C@H]1CCCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1473780788 BVDODFBQPZZUSN-QGZVFWFLSA-N 416.547 1.986 30 10 HDEE C#CCN(CC(=O)N(CCC#N)CCC#N)C1CCN(C(=O)OC(C)(C)C)CC1 1473796848 IRPQWORYWGPLHY-UHFFFAOYSA-N 401.511 1.977 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc(C(=O)N(C)C)cc3F)CC2)c1C#N 1476923665 FBYOSWHEXHLIMO-UHFFFAOYSA-N 413.457 1.795 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1507595560 SDUIFZOVPYXZNP-UHFFFAOYSA-N 409.498 1.301 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCN(C)C1 1507619471 MYUKEEJKOMDFJL-KKSFZXQISA-N 418.542 1.486 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507622494 HAAKNPAKLFNSNJ-QGZVFWFLSA-N 419.551 1.497 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637874 NDPHJPDZEYAVPC-ICUGJSFKSA-N 422.551 1.285 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCSCC1 1507656656 LHUNKDBRFANVCR-UHFFFAOYSA-N 419.558 1.638 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507732656 IXDSBBDSQANYSJ-RTBURBONSA-N 404.559 1.069 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1507736979 XDRLDBOKGSFFHR-UHFFFAOYSA-N 415.457 1.819 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1CSC 1507747916 YWXYVEJSZYZBBJ-UONOGXRCSA-N 417.626 1.587 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2CCC(=O)N2CCOCC2)cc1 1521101602 DPVALNLMGFGKQR-UHFFFAOYSA-N 410.478 1.578 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Br 1533244019 VTBGMALYWQEMKN-GJZGRUSLSA-N 407.268 1.257 30 10 HDEE COc1ccc(CNC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)cc1C#N 1536788088 PVQIVCUJNJOMDG-INIZCTEOSA-N 401.463 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCC1(CS(C)(=O)=O)CC1 1538871365 OZYKHALLGXFAEP-AWEZNQCLSA-N 401.529 1.905 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1539013763 NPXOTGUASVNOPX-PKOBYXMFSA-N 410.522 1.910 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OCC)c1 1539179864 SNLNNLWENZEDJB-KRWDZBQOSA-N 402.520 1.891 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1539201708 BZPKCKJEDHBTAY-QGZVFWFLSA-N 404.540 1.395 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1539216472 SNFRJFPXVVYXEP-HNNXBMFYSA-N 420.564 1.505 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1539219348 JANDBUVARSKQKZ-UZLBHIALSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1 1539331486 QMZLGRIQJDMBNE-UHFFFAOYSA-N 410.522 1.266 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCN(C3CC3)C2)CC1 1539490457 VUDNDCBIIXWVIC-KRWDZBQOSA-N 414.554 1.265 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1539556831 IADQCQAXHNZIOQ-OXQOHEQNSA-N 421.567 1.793 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540036888 WHHCQRREAXKAAI-RXVVDRJESA-N 405.543 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccnc(C)n2)CC1 1540867609 BDSIZCJNARRMBE-UHFFFAOYSA-N 421.509 1.011 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1540871789 UGVRWFVZODKSJR-INIZCTEOSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1540874261 ZTYWECDIGGYQSM-GOSISDBHSA-N 424.505 1.281 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](C)[C@@H]1C 1540874458 HKAKCUJXQDXCER-JKSUJKDBSA-N 403.556 1.772 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1540875970 CZAPLBKNDBHZOB-BEFAXECRSA-N 409.556 1.564 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(C2)OCCO3)C1 1540882121 BZGMTDLTDGYZOH-SJORKVTESA-N 419.526 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1540901216 WPOZEDGYDLLRAI-ZWKOTPCHSA-N 417.535 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540907449 XGQVLRSFANCMJV-QGZVFWFLSA-N 404.540 1.906 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1540909428 HFWWIFWOSODQHU-YOEHRIQHSA-N 417.601 1.813 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1541159105 BKBPWCWWAIDOJR-MSOLQXFVSA-N 402.543 1.948 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 1542683721 AHXTXIZXICNVLB-UHFFFAOYSA-N 400.460 1.415 30 10 HDEE Cc1nccn1CCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1542972469 ILJSMBJIGNUBQS-LJQANCHMSA-N 406.494 1.978 30 10 HDEE CCCCS(=O)(=O)CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1543521241 XHCIDZDXAYPMPA-UHFFFAOYSA-N 403.508 1.590 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1544050878 QKAGBXKRNGSDBK-QGZVFWFLSA-N 415.494 1.953 30 10 HDEE N#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1cccc(Br)c1 1545824187 OGKQRYOWYURBPO-LBPRGKRZSA-N 418.255 1.048 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)nn1C 1548369275 UHXYKVVWDYRSFD-MRXNPFEDSA-N 420.395 1.435 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1554532088 YEEFIZREQJFEBH-QZTJIDSGSA-N 411.462 1.622 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1555682879 OCQOSAHWSIIWKA-QZTJIDSGSA-N 421.542 1.980 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)C(=O)OC 1556375381 IGUIAYWVMVIZIE-BBRMVZONSA-N 404.232 1.656 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 1557941187 DDCAMXUYINNQMN-QAPCUYQASA-N 420.853 1.993 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@](C)(Cn1cccn1)C(N)=O 1560214509 OJFGXBMCTPQJIU-IFXJQAMLSA-N 400.508 1.607 30 10 HDEE C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@@H](C)C1 1561490321 HCCVDXRZGYLLMP-RYUDHWBXSA-N 402.314 1.396 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 1561866341 DTOFSFZLHQPLQS-UHFFFAOYSA-N 411.423 1.519 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1565113801 VARUYKPIDIRWCH-SFHVURJKSA-N 411.487 1.455 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 1570498173 FHXFWSZVISLYFM-LBPRGKRZSA-N 401.448 1.241 30 10 HDEE C=CCC1(C(=O)N2CC[C@]3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)CCO3)C2)CCC1 1571971101 GHKWTBJMZIWZGZ-IKONFVELSA-N 400.519 1.986 30 10 HDEE N#C[C@]12CN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)C[C@H]1CS(=O)(=O)C2 1585655762 XPYLXVQCTGRSJS-MEDUHNTESA-N 412.393 1.452 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C[C@@H]12 1586514910 COKWMOZVUFOTJT-KSZLIROESA-N 413.455 1.630 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1 1586822943 CTOXFJALKWQFRO-LPHOPBHVSA-N 409.467 1.697 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1587683357 IJWHPVLGGMGRQW-CURYNPBISA-N 404.511 1.798 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1587765116 ATIWZKNMOBPDEZ-INIZCTEOSA-N 407.540 1.042 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587856402 KTSAINKPCVWUQX-HOTGVXAUSA-N 400.483 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1 1588254203 RVXPJULFGIFTPY-QHCPKHFHSA-N 424.501 1.870 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1588266809 WEGONBJUZQMMKE-OAHLLOKOSA-N 405.524 1.543 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589070298 RXKAQZHFCKWRJL-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(OC)CCOC1 1589164596 VTTGPAYHPPWFNW-NJDAHSKKSA-N 404.511 1.728 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1589421007 CDXNXVUJIYZWIN-UHFFFAOYSA-N 406.350 1.657 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1593884033 AVLMRQZRAAPCGN-NSHDSACASA-N 413.878 1.455 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)NCC)CCC1)C1CC1 1595013534 DCJTVRXBWWOKIF-UHFFFAOYSA-N 400.527 1.975 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1595879388 WBOHFZMYJJPGIF-KGLIPLIRSA-N 419.511 1.418 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1596831094 HZJFMUVMDZUYSY-JKSUJKDBSA-N 408.572 1.650 30 10 HDEE Cc1cc(C(F)(F)F)nn1CCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1597888675 FTBRECGCUGFNQL-UHFFFAOYSA-N 415.397 1.065 30 10 HDEE C=CCc1cc(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc(OC)c1OC 1597995788 SRYFLHRRDNUZMA-OAHLLOKOSA-N 414.462 1.240 30 10 HDEE Cn1cnnc1[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1598414972 VFODRMGGVOLOGM-JKSUJKDBSA-N 407.434 1.255 30 10 HDEE COc1ccc(-n2c(C)cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2C)cc1 1607488772 LDDCGNQBBWWWEA-UHFFFAOYSA-N 419.441 1.934 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC=CCO1 1608453302 GWCWHYBPHPIKSG-INIZCTEOSA-N 423.477 1.296 30 10 HDEE C#CC1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1611013556 OKXGUVUZXFTFKE-UHFFFAOYSA-N 406.504 1.130 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1c(F)cc(C#N)cc1F 1611481819 LMHHNHWBRXHWAF-UHFFFAOYSA-N 400.385 1.341 30 10 HDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)N(C)[C@@H]1C 1613902930 HUEMCGDOMSTLKJ-ZGZVIWODSA-N 414.505 1.350 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1614069752 FCVPCPDIOJZAQC-DYESRHJHSA-N 410.478 1.337 30 10 HDEE CCO[C@]1(c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1616273856 SVDGIMKSBOAFIB-GOSISDBHSA-N 405.480 1.012 30 10 HDEE N#C[C@]12CN(C(=O)CCc3cc(Br)cs3)C[C@H]1CS(=O)(=O)C2 1616337345 XOTNLFDMISPLMI-IINYFYTJSA-N 403.323 1.840 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1618171777 LZRPFGUXJHPXDG-FHSNZYRGSA-N 407.879 1.090 30 10 HDEE N#C[C@@]12CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@H]1CS(=O)(=O)C2 1620611585 YHHWQKGUFVXDHQ-FZMZJTMJSA-N 400.254 1.727 30 10 HDEE C=CCCn1cc(CNC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1620925781 WDWODMLRUIXCQK-SFHVURJKSA-N 401.486 1.801 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1622145998 HGKFOWZJNWZUAZ-NEPJUHHUSA-N 422.320 1.665 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H](C)S1(=O)=O 1623649700 CFKVGTXVGMGZNT-ZNMIVQPWSA-N 401.529 1.998 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 1624730029 LCHSQALQSDTYDO-KGLIPLIRSA-N 409.508 1.630 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CCC2)cc1 1627682994 JRWYGTQRCRLHQT-UHFFFAOYSA-N 409.471 1.908 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1628146731 NQSDPRCECSKZPV-SQNIBIBYSA-N 418.538 1.058 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1628900586 IAFWKMNNNQWVCL-ZWKOTPCHSA-N 420.485 1.810 30 10 HDEE CN1C(=O)CO[C@H](C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)[C@H]1c1cccnc1 1631404956 UETILTQXVCZNNY-RTWAWAEBSA-N 416.441 1.558 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1633336996 RIBJJMOVLJKDEY-BBWFWOEESA-N 407.511 1.648 30 10 HDEE C#C[C@@H](NC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)[C@H]1CCCO1 1634469099 FKTUQLPWWJSUSX-HZPDHXFCSA-N 401.417 1.853 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1635151711 PIHUBRAGMPRCEN-UHFFFAOYSA-N 408.458 1.760 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2N)[C@H](C#N)C1 1635214132 XMENTAWPQANOIK-GFCCVEGCSA-N 408.480 1.257 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)c3nccn32)C1 1635803290 HOMZTAAEDPQIFX-SJORKVTESA-N 423.473 1.995 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 1636471043 HOXSQBDISWWOAI-KSSFIOAISA-N 415.519 1.611 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 1637886501 SEKYBTNSJTWPAD-ZWKOTPCHSA-N 400.479 1.961 30 10 HDEE C#CC1(O)CCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1641041475 YDWUHIMXARJEEH-UHFFFAOYSA-N 406.548 1.884 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 1642547684 ABOGBCPJTKTSQG-AWEZNQCLSA-N 414.487 1.575 30 10 HDEE Cc1nn(C)c(N2CCN(C[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1642752138 YHGFAABLVKQXRP-MRXNPFEDSA-N 404.515 1.358 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1cn(C)nn1 1643848736 DDDZEBUBGCJZMU-MRXNPFEDSA-N 411.510 1.617 30 10 HDEE CCCCn1c(N)c(N(CC(C)C)C[C@@H](O)CC2(C#N)CCOCC2)c(O)nc1=O 1644817836 WJOUABGYHVWKJZ-INIZCTEOSA-N 421.542 1.865 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c1 1644993040 YSUCFWQPOKGYAF-DZGCQCFKSA-N 404.410 1.828 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)CC1 1648345951 ZKAJIOJWIXXYEQ-HUUCEWRRSA-N 418.460 1.151 30 10 HDEE CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1652521417 PRYHGQOIYQLLFH-JVPBZIDWSA-N 411.524 1.563 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)c1=O 1652960577 WXSFFJRLFDIHQS-LJQANCHMSA-N 414.437 1.061 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)c1C#N 1654181988 NQAVOWKCJDKWTE-DGCLKSJQSA-N 412.441 1.778 30 10 HDEE C#CCN1CCN(S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1655018606 QQGKXOGXRGIWMV-FQEVSTJZSA-N 419.547 1.758 30 10 HDEE N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1656530851 QIGMFKFEEFPUIL-XJKSGUPXSA-N 401.410 1.938 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(C(=O)OCC)[nH]c3ccc(C)cc23)CC1 1659907014 RYOYNRHKUQOUFZ-UHFFFAOYSA-N 418.519 1.238 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(c4ccncc4)[C@H](C)C3)CC2)o1 1659975144 ISACRFKVSYCVTH-MRXNPFEDSA-N 409.494 1.109 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)CC3(CC#N)CC3)C2=O)c1 1662634049 FJHICFITJPEBMP-KRWDZBQOSA-N 407.492 1.765 30 10 HDEE COCCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1664106233 BOXXERCZLCDXTH-CQSZACIVSA-N 402.314 1.710 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(=O)n(CC(N)=O)c1)c1ccc(Br)cc1 1671525941 WTWJSRJXENJBLY-CQSZACIVSA-N 403.236 1.592 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1674316795 MWVSXLVVFMUORB-OAHLLOKOSA-N 407.478 1.405 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2)[C@H]1CCS(=O)(=O)C1 1681017579 KEEFAFRWBHZSCS-KRWDZBQOSA-N 419.503 1.266 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)NCc3ccc(C#N)cn3)CCO2)C1 1681738106 BBKCGCZGHAORFS-FQEVSTJZSA-N 401.467 1.875 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)nn1 1683483341 VWPIUPTXNWBVSL-LJQANCHMSA-N 409.494 1.097 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCSC2(CC(C(=O)OC)C2)C1)[C@@H]1CCS(=O)(=O)C1 1684576105 OUEVVVMXIODFPV-NWPKHEMWSA-N 414.549 1.036 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1684746902 QJJWWQLNDLVMTD-UWJYYQICSA-N 409.534 1.754 30 10 HDEE COCCn1nnc2c1CCN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2 1686928980 AWVFOUBFDBYJMV-UHFFFAOYSA-N 423.521 1.528 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1689963082 ZGJIKGADFSHLBY-QGZVFWFLSA-N 412.469 1.323 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689991926 DSLYUARIFUZZMS-RBUKOAKNSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1690008449 HHNNQLXLQGKMGY-UHFFFAOYSA-N 412.881 1.315 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1690019410 HYZUNVSANQXTMR-INIZCTEOSA-N 415.544 1.418 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1690020158 ZSVQHQSPDYRKCM-SFHVURJKSA-N 417.579 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(N2CCOCC2)n1 1690100010 UJZHROAQGVCORE-UHFFFAOYSA-N 421.505 1.639 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1690206406 QKLQESCLTFWLBX-ABSDTBQOSA-N 405.568 1.657 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccn2)CC1 1690315460 ATAAFUIYBWPLKS-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690675060 OPZSMBYAFKAFJF-MSOLQXFVSA-N 408.506 1.080 30 10 HDEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1692573984 JXBCSPUHXXOLLT-UHFFFAOYSA-N 420.525 1.860 30 10 HDEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1693566855 DEAZDESYRZFJKJ-ZHALLVOQSA-N 412.542 1.775 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1696694693 FXOKCGXKIVCIAD-KRWDZBQOSA-N 418.461 1.122 30 10 HDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CC#N 1697832247 IFMLIEPMMWZUBY-ZDUSSCGKSA-N 410.438 1.846 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1705485007 AXWDABAPRLABBS-QFBILLFUSA-N 422.493 1.574 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705536154 BPDACERELOUJEJ-NRFANRHFSA-N 414.598 1.875 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560447 KSLKURHNLDMHPB-IAGOWNOFSA-N 407.584 1.687 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)C1 1705705058 CIKQMVYMDOJBPV-APWZRJJASA-N 403.527 1.997 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1705901098 AGYJYOUUOQFHFX-UHFFFAOYSA-N 408.457 1.731 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(CNC(=O)OC(C)(C)C)CC1 1705904187 HXMQYLBKUQSNBL-UHFFFAOYSA-N 406.531 1.884 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705905620 BEHIZUQHRYQPNN-UHFFFAOYSA-N 423.564 1.246 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1706073220 LQSVPOUOIWSNRO-YBKRRLQSSA-N 418.523 1.903 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COCCO1 1706462357 DNEPTRXYVDIIQG-KRWDZBQOSA-N 404.515 1.696 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1706579598 AXYWISXBCWPVMK-QINHECLXSA-N 404.515 1.883 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1722275928 GEPALVULWHQPFG-UGKGYDQZSA-N 419.570 1.889 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1722295739 LMVFDCZOAGNRCT-ZBFHGGJFSA-N 418.519 1.704 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1722381725 AXWVBLCDOIAHDP-LJQANCHMSA-N 417.579 1.375 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2cccs2)CC1 1722439555 GYLYJINXKKIWLD-QFIPXVFZSA-N 422.558 1.988 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCOC1 1722450164 YXAHRBKKKPFQJP-QFIPXVFZSA-N 423.473 1.838 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1722458663 PWZDYAPYYSKEQZ-INIZCTEOSA-N 420.583 1.143 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1C 1722515585 OTSVKEZUHAQMPQ-UHFFFAOYSA-N 400.512 1.849 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)CC1 1722560292 VABOZUYKUNBUTG-AWEZNQCLSA-N 407.544 1.443 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1722604221 WGCSFPUDRSZVMM-INIZCTEOSA-N 409.556 1.595 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1722718814 NJYFXDAXNSQMJX-KXBFYZLASA-N 412.556 1.198 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1 1740555584 LLIYOXWRBPWYHH-HNNXBMFYSA-N 402.568 1.939 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740587762 VLALFZFLEQLZTL-UHFFFAOYSA-N 412.542 1.082 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740639671 WWJLXCJEVHJVFR-ROUUACIJSA-N 409.465 1.338 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1740667846 SCIAGIPVPSSYOU-HXUWFJFHSA-N 400.552 1.941 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCC(=O)N1 1740688540 RJPPLPOGRDXUTA-GOSISDBHSA-N 411.506 1.839 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)CN(C)C)CC1 1740700950 OLRAKCAETIIOKE-OALUTQOASA-N 418.586 1.345 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740848177 DJYBWHBPOXYTDC-GJZGRUSLSA-N 401.515 1.388 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740873940 JRSCKBFCBBYNNK-VLIAUNLRSA-N 415.498 1.010 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCCC2(CCOCC2)C1 1740953163 XMRPFMUYUCEAQM-QGZVFWFLSA-N 421.542 1.701 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740990127 JKJNVQMEGLCHQM-HNAYVOBHSA-N 421.523 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCc1nccs1 1740992458 QOLYLHCXJMLFBN-AWEZNQCLSA-N 411.553 1.518 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CC(F)(F)C1 1741917070 AVMJGXMNDXUBNU-NSHDSACASA-N 402.471 1.674 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)n1 1742332661 FHSVAZVGJCBRNA-QGZVFWFLSA-N 409.494 1.684 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1742905160 AJNZCFZCUBXCNE-PZPWOCDFSA-N 410.478 1.024 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1748789122 WCPXICCLWWQZLF-QGZVFWFLSA-N 403.508 1.479 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748805815 WNPPKEPNTDVSHA-CVEARBPZSA-N 423.539 1.261 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808963 OSBSOKXRZYOCCB-SJLPKXTDSA-N 418.519 1.898 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1748843474 FSFGZSBZBRFZFA-GOSISDBHSA-N 422.464 1.180 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(O)c1 1748947979 CBWIEENMUTXHDA-UHFFFAOYSA-N 401.467 1.265 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC2(F)F)CC1 1748995100 XTEMIJZDFKUAQT-KRWDZBQOSA-N 420.508 1.981 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@@H]2COCCO2)CC1 1749004134 FMRGPSXCHSDYBK-SJLPKXTDSA-N 403.527 1.563 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1749067762 WPAKTGMBVCEBLI-DNVCBOLYSA-N 402.524 1.149 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)NC 1749078757 OVQJPVCHBWIQFZ-LJQANCHMSA-N 421.498 1.538 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC2CCOCC2)CC1 1749671200 ZXWAUCPMIIANBN-UHFFFAOYSA-N 402.543 1.396 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1750008619 PKXIWOJCJWRDRO-KGLIPLIRSA-N 420.436 1.225 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1760113994 DNLSCUIOHDVLRX-VQIMIIECSA-N 403.490 1.980 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760130838 MVOYATSJGIFUJY-SJORKVTESA-N 404.515 1.362 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760171660 NUHTWKBDYPHCEN-MRXNPFEDSA-N 414.510 1.866 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1760184554 JQOPPNMXTBAINH-KRWDZBQOSA-N 415.519 1.560 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1760196300 HRFVPOGKQCARTG-UHFFFAOYSA-N 422.514 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760214209 FVNQQZQCQLLBQK-IBGZPJMESA-N 405.502 1.903 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760231117 LLMKJCNLPGUKQS-LJQANCHMSA-N 409.538 1.742 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760256528 HQCCSWRJWRYYKC-KNKQGSTJSA-N 417.554 1.237 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CC=CCO2)CC1 1760272011 VODDTCUMNXDRAK-FQEVSTJZSA-N 420.517 1.575 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1760322803 XUCVFOXTWODHGY-BBWFWOEESA-N 412.556 1.634 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CCC1 1761240039 GENHQTLZLCKKSS-SFHVURJKSA-N 424.505 1.781 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1765891061 ULPMDDFWIBJAFB-DZFGPLHGSA-N 419.526 1.866 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)c1 1769912731 SEKDFCIEHYQHPH-FQEVSTJZSA-N 419.457 1.803 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)CCO1 1770749448 YDPASIZDODDSLU-KRWDZBQOSA-N 424.461 1.728 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)C 1771298491 NXZCLQVCJHSUJW-XGHQBKJUSA-N 418.542 1.904 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1)[C@@H]1CCN(C)C1=O 1848806545 REXGRVXYDYAXBN-QZTJIDSGSA-N 405.520 1.393 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)c1 1849879170 CKRFMZOUDVGFAG-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)CCC(=O)N1CCN(C)CC1 1851212871 AGNXQVGCLVOQTK-UHFFFAOYSA-N 403.483 1.032 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 1851613735 OBVHTKCTDGMVKG-UHFFFAOYSA-N 405.458 1.593 30 10 HDEE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851725375 ODHSZNBQXQAQDI-KKSFZXQISA-N 408.458 1.847 30 10 HDEE COc1cccc(C#N)c1OCC(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1852656522 AMXDHCDUIIPYSS-UHFFFAOYSA-N 408.458 1.411 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCC[C@@H]1C(=O)N1CCN(C(C)C)CC1 1853216788 PBFDTQCGFPQGFU-GOSISDBHSA-N 414.506 1.489 30 10 HDEE Cc1nc(C(=O)NCC#CCN2CCOCC2)nn1-c1cc(Cl)cc(Cl)c1 1853280334 UEABFWVCCJCZFB-UHFFFAOYSA-N 408.289 1.948 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)CC2 1853341876 AMZFXORNXSZQFR-IBGZPJMESA-N 419.551 1.235 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2sc(C)nc2C)C1=O 1853682622 NYXVVBQAULTWNV-HZPDHXFCSA-N 404.536 1.539 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC4CC(=O)C4)C(=O)C3)C2)c(F)c1 1854164679 OIXXHVIAUYNCPS-GOSISDBHSA-N 412.465 1.312 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC[C@@H]4CCCO4)C(=O)C3)C2)cc1 1854201604 DAIAYHXLFMBKAW-RTWAWAEBSA-N 410.518 1.763 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)C(=O)C12CCCC2 1854401277 LUGCBMYAROYRMQ-UHFFFAOYSA-N 409.895 1.719 30 10 HDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1C 1854432424 VTKHPIHXHAAYNM-UHFFFAOYSA-N 419.503 1.383 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)c1 1856097082 BDRUOZMEYPAWRJ-SFTDATJTSA-N 410.518 1.876 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCCC[C@H](N(C)CCC#N)C3=O)nn2)cc1 1856348783 IQAYEZNNKBTSMD-IBGZPJMESA-N 410.478 1.702 30 10 HDEE Cc1noc(C)c1CC(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856410466 HYUPFODJECUDTP-OAHLLOKOSA-N 409.446 1.239 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)nn2)cc1 1856522495 YGRCKMKWAZHEDM-QFBILLFUSA-N 404.474 1.943 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCN(S(=O)(=O)C3CC3)CC2)CCC1=O 1856636199 CTBCGZSOWDPYHU-IAGOWNOFSA-N 411.568 1.464 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)CC1 1857295278 KZAOGTWCJVMLGK-AEFFLSMTSA-N 416.522 1.856 30 10 HDEE CCOC(=O)CCN(C)C(=O)C(=O)/C=C/c1ccc(OCC(=O)N(CC)CC)cc1 1860635184 VUQWWFVRPPWQFM-JLHYYAGUSA-N 418.490 1.928 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864959995 UCHVYPPHSHEJRQ-HNNXBMFYSA-N 414.462 1.702 30 10 HDEE Cc1cc2cc(CC(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)ccc2nc1O 1866915943 POAZMEYDNXESHF-LJQANCHMSA-N 404.426 1.779 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](CC)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868629418 VFOUYPHMTCLUTR-QGZVFWFLSA-N 407.536 1.954 30 10 HDEE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 1877496377 QSYZPCOFZYYREA-VLFYSKJFSA-N 406.530 1.088 30 10 HDEE COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccc(C#N)cc3)OC2=O)cc1OC 1891436618 UGJWRGTUEYWEOG-HNNXBMFYSA-N 417.443 1.879 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 1891915214 TUMWJHZKBPNCGH-UHFFFAOYSA-N 420.429 1.483 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1957293694 BGYBJLOWVLFYTJ-ZDUSSCGKSA-N 420.532 1.626 30 10 HDEE C#C[C@@]1(O)CCCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1984733664 INEQAIBIZRKIRI-AUSIDOKSSA-N 415.534 1.998 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2118167286 ILMBTUIYGLKWDR-LLVKDONJSA-N 400.423 1.512 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2118169593 OHCLOIWEBZKZFQ-GHMZBOCLSA-N 400.423 1.512 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@H]1NS(=O)(=O)CC1(C#N)CCCCC1 2174785307 XKBGNRGQELQPRK-LSDHHAIUSA-N 401.529 1.920 30 10 HDEE C#CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 2180113505 QRTGABOHLYZNIC-STQMWFEESA-N 408.467 1.431 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180900406 KJTALFFRCIRMTJ-SNVBAGLBSA-N 416.887 1.201 30 10 HDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2195345909 NCLJUQZSIAKVOU-ZDUSSCGKSA-N 406.501 1.194 30 10 HDEE C[C@@](C#N)(NC(=O)Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O)C1CC1 2195863120 BKQUPGQFQKHMRQ-QFIPXVFZSA-N 405.458 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 2201717701 BNHWWOLMZYGBAA-UHFFFAOYSA-N 415.899 1.719 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243386581 CUYFNGLXNRVZJK-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243390164 PUNAWHQXXSVMCV-UHFFFAOYSA-N 419.234 1.193 30 10 HDEE C[C@@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243675657 ZFXIDUUGUQCLOE-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244555316 MAAVZZAFIJGCGI-CABCVRRESA-N 408.304 1.498 30 10 HDEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247817757 QCSBYQPIPNBCGB-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248404575 LJVQJYXLRHBLKP-CQSZACIVSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248440328 ARTVYLPUUYLRNJ-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE C#CC(CC)(CC)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258171826 ZOBKNCYALJCPNH-MRXNPFEDSA-N 410.492 1.566 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258178790 CVPDCTWFACMLNB-DLBZAZTESA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COC[C@@H]3F)cc2Cl)OC1(C)C 2267706112 RKNPHCGPPCKTJS-UWVGGRQHSA-N 411.713 1.716 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282318328 ZUHXZGURMHAMSP-OLZOCXBDSA-N 401.359 1.605 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@H]1CN 2282325366 DJXYMTKXPKUTEI-STQMWFEESA-N 400.375 1.761 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)n1 2282496008 UWNBMTWSNIZKEP-VWLOTQADSA-N 405.351 1.304 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC(C2(C)OCCO2)CC1 2282698309 BBZFJQUJWPQMJZ-UHFFFAOYSA-N 404.316 1.940 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H]1N 2282828053 HZXISSRAVQTSCZ-SMDDNHRTSA-N 400.737 1.607 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1F 2282829321 CRYYNKQINKXWEQ-RYUDHWBXSA-N 404.338 1.952 30 10 HDEE CN(C[C@@H]1C[C@H]1CF)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839611 GQJMSAFYYJOYAX-RYUDHWBXSA-N 404.338 1.810 30 10 HDEE CC[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840082 KTSVWZREWBQVMY-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282843835 SUINNBXMRQLUCX-TZMCWYRMSA-N 400.375 1.607 30 10 HDEE C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846874 QDPDTFDSWPIGNJ-ZKYQVNSYSA-N 401.721 1.687 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCOC[C@@H]3C(F)F)c2)OC1(C)C 2282848079 ITWOPBNEIHTGHX-LLVKDONJSA-N 409.285 1.702 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282857178 DPRCDZOGKCMPEL-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCSC1 2282862434 CLMASZFRHGPAFJ-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)CC(F)(F)F)s2)OC1(C)C 2282862633 GENIQTOKIKCIJE-VIFPVBQESA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)NCC3CC4(C3)OCCO4)c2)OC1(C)C 2282879572 WHZDJQWPBQCREZ-UHFFFAOYSA-N 423.340 1.558 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2F)CC1=O 2329020395 UEHBIMILKGWPBI-ZDUSSCGKSA-N 404.471 1.601 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)C2(O)CCC(NC(=O)OCc3ccccc3)CC2)CC1 2342083193 ZKZSAGBWCXIJQP-UHFFFAOYSA-N 419.499 1.736 30 10 HDEE CC(C)(C#C[C@H](NN)c1cccc(F)c1I)S(C)(=O)=O 2365196884 QVQBETKGPFMOQS-NSHDSACASA-N 410.252 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@](C)(C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)C1 2367792229 MRBIXQDACBPUNL-KRWDZBQOSA-N 401.481 1.294 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2367795098 KTPAZAISFYKJND-QAPCUYQASA-N 400.541 1.619 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCC23CC(I)(C2)C3)cn1 2381619505 MBAHYEFFPFPIND-UHFFFAOYSA-N 403.245 1.979 30 10 HDEE C=CCn1cc(C(=O)NCCOC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 4110561 ZZUVHFKBVSZJKA-UHFFFAOYSA-N 421.519 1.594 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 16559694 IZLROZMZVWAYJM-AWEZNQCLSA-N 418.446 1.771 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 90732258 YXLMWMPSDMUQKJ-UHFFFAOYSA-N 403.416 1.914 30 10 HDEE COc1cc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)ccc1O 101441613 OFCAABSFGXUCHD-BBRMVZONSA-N 409.446 1.944 30 10 HDEE COc1ccc(C=NNc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)cc1 254509743 LQALHJVWAABDHL-UHFFFAOYSA-N 418.457 1.937 30 10 HDEE C=CCc1ccc(OCC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c(OC)c1 439934951 LSXNGBHXHZANPR-IQGAEYHTSA-N 417.458 1.754 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 461193741 STIBPXZSEVWUMU-WFASDCNBSA-N 407.565 1.919 30 10 HDEE COC(=O)C[C@@]1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCOC1 466897337 JYCLZUUKNHOADO-SFHVURJKSA-N 403.826 2.241 30 10 HDEE CCN1CCN(CCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 469051881 OBBFMXHUITZALR-GOSISDBHSA-N 401.536 1.426 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)OC 481784330 HYZHWSFFXGSEMI-SJLPKXTDSA-N 406.454 1.467 30 10 HDEE COC(=O)[C@@H]1CN(c2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]1c1ccc(Cl)cc1 488724889 CVYIEQQPNVWIJW-LSDHHAIUSA-N 402.838 1.002 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 503505395 ZUPIXUHZNGWTFH-UHFFFAOYSA-N 414.487 1.336 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 506934911 YGPFFLUAFKWSSU-UHFFFAOYSA-N 408.481 1.563 30 10 HDEE CN1C[C@H](Nc2cc(N[C@@H]3CCC(=O)N(C)C3)c([N+](=O)[O-])cc2C#N)CCC1=O 553080687 VVJBCOTZHUKGKN-ZIAGYGMSSA-N 400.439 1.532 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 555798863 COMHZUDOQDMAFZ-UHFFFAOYSA-N 406.442 1.770 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 557140970 KLKYYDMIVASOQR-QGZVFWFLSA-N 422.526 1.844 30 10 HDEE Cc1c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)nnn1-c1ccn(C)n1 559372519 UTGSMVVFFMJBGX-HNNXBMFYSA-N 422.474 1.335 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCC#N)CCN(C)C 586153650 NQFVTNWYWDTKIT-UHFFFAOYSA-N 408.524 1.678 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)O[C@@H](C)COC)cc21 586315918 ZNFBNGOIKJVQKI-SHSSRLJWSA-N 423.487 1.496 30 10 HDEE Cc1cc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)nc(C(C)C)n1 586859751 HNUZSJQUNFSGDN-UHFFFAOYSA-N 424.480 1.884 30 10 HDEE C=CCCCN(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 605645379 KRMQPFYKLPHSNZ-UHFFFAOYSA-N 419.503 2.000 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)C[C@H](C)O1 614159932 YDGHXAQMHSVQJX-ROUUACIJSA-N 420.579 1.959 30 10 HDEE COC(=O)[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725403053 SEMZUCSAWTZUQJ-RTBURBONSA-N 400.328 1.807 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCO[C@H](c4noc(C5CC5)n4)C3)C2=O)cc1 726590049 DTTNQXWQNUODJU-KRWDZBQOSA-N 422.445 1.614 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cc1 728413765 KVKRLTIXARRXDV-UHFFFAOYSA-N 406.485 1.541 30 10 HDEE C[C@@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N(C)CCC#N 728844577 LDILIHJQQNXSAT-GFCCVEGCSA-N 405.410 1.962 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)CCN1C1CC1 732707882 HDDKFYVSPGYAOB-IBGZPJMESA-N 405.458 1.798 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)CC1 742294508 UNGINMODUCMRLL-UHFFFAOYSA-N 408.499 1.262 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 744384110 IJJFYHMAQYPWPI-HUUCEWRRSA-N 408.907 1.847 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028629 KOBQENBQFUMLPR-KBPBESRZSA-N 405.407 1.925 30 10 HDEE C#CCN(C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 751564113 VOEBHNIVUDUSKB-CQSZACIVSA-N 405.444 1.087 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 753778549 FLHSMFOTJYJYSE-GOSISDBHSA-N 402.495 1.478 30 10 HDEE C#CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 754273342 BBOCCGRDLWBSEU-OAHLLOKOSA-N 402.472 1.102 30 10 HDEE NC(=O)CC1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 754414189 DCNCZEMNXPZFLP-UHFFFAOYSA-N 406.508 1.200 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2ccnc(O)c2C1 757648761 UMJXFWSLVWPUBA-UHFFFAOYSA-N 400.460 1.191 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 766982176 MOZLBLKOALHIPN-INIZCTEOSA-N 413.455 1.677 30 10 HDEE CCCC[C@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 771599742 OZCBAHCVXMUVCS-AWEZNQCLSA-N 400.888 1.894 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 772906310 SRIGEHCRVAAVIW-OYLHUBKDSA-N 424.379 1.997 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCCO1 773790985 BGJCISNIYHSPSC-ZWKOTPCHSA-N 407.474 1.907 30 10 HDEE C#CCN(C(=O)NC[C@H](CC)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 774170956 JTPOSILUIPQRKW-PMACEKPBSA-N 403.548 1.655 30 10 HDEE CC(C)(C)[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 776622130 APOAPDDLNAKIQB-INIZCTEOSA-N 409.508 1.901 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)cc2C1=O 779319254 YBJQRTKSONSEMA-UHFFFAOYSA-N 401.444 1.612 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)N(C)Cc1ccccc1)C2=O 787071679 DRQHZVCSWOBLTD-YSJWXEPDSA-N 410.474 1.855 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2cccc(OCC#N)c2)n1 787908673 ONYKFGJGARUYAR-UHFFFAOYSA-N 402.432 1.520 30 10 HDEE N#C[C@@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)N1CCS(=O)(=O)CC1 797949569 XHSZTFIEYMQMBX-UXONFWTHSA-N 400.428 1.536 30 10 HDEE C[C@H](C(=O)OCc1nnnn1-c1ccccc1Br)n1cnc(C#N)n1 798744165 HWDHMPBZQCJTSF-SECBINFHSA-N 403.200 1.192 30 10 HDEE COCC[C@@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 810164169 ATVGFSSQGYUIHM-OSGFXRFRSA-N 412.512 1.672 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812267371 DSIBOHRCEUOBAY-AEFFLSMTSA-N 418.519 1.462 30 10 HDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCC3)c2=O)cn1 814251271 GEEDHUPCWRSEIT-UHFFFAOYSA-N 412.515 1.350 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CCC1 814253633 JTXRKOJZRCTRRJ-UHFFFAOYSA-N 420.494 1.763 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 816694975 RUPPJEXBZQYYKJ-SFHVURJKSA-N 421.519 1.072 30 10 HDEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918377226 KIMUWARYXCAXPL-MRXNPFEDSA-N 400.504 1.014 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccc(Cl)cc1F 1129615591 CACSLEQXFQTHRO-NJAFHUGGSA-N 418.856 1.992 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2COC3(CCOCC3)O2)cc1B1OC(C)(C)C(C)(C)O1 1137883554 MRTUKGJNUKSHMI-KRWDZBQOSA-N 417.311 1.946 30 10 HDEE Cc1nc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nn1-c1nc[nH]n1 1139787949 GQOKEIDSEQEKJE-OAHLLOKOSA-N 411.857 1.370 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1146221296 PABSEGUWUCTHJB-QZTJIDSGSA-N 415.490 1.630 30 10 HDEE C#CCCN(CCOC)C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1148757078 DQAROUNZMIUTKS-UHFFFAOYSA-N 402.491 1.867 30 10 HDEE Cn1c(=O)[nH]c(N[C@H]2CCOC3(CCN(Cc4ccccc4)CC3)C2)c(C#N)c1=O 1164125405 XLJNCRDZZXARFF-KRWDZBQOSA-N 409.490 1.571 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 1165433359 MAGJQIKHZBCVQX-QFIPXVFZSA-N 418.409 1.546 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCCc2ccccc21 1178954789 PKMLDSNIGGEDQK-QWFCFKBJSA-N 414.527 1.561 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc3c(c2)C[C@H](C(=O)OCC)O3)nn1 1193475998 PYOGZCXDFIUFPU-QGZVFWFLSA-N 406.464 1.199 30 10 HDEE C#CCCCS(=O)(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1195311612 XYGCXXOETFLINR-AWEZNQCLSA-N 400.497 1.072 30 10 HDEE C=CCCN(OCc1ccccc1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 1211565835 CWHMCMAOUKASAL-KRWDZBQOSA-N 402.538 1.608 30 10 HDEE C#CCOc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1216744138 XVXFFXDIFANHST-CHWWFWEZSA-N 420.487 1.719 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H]1CN(C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1223654780 KWTOXQJZPMGWKW-SJLPKXTDSA-N 408.543 1.750 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](Cc2ccccc2)C(C)C)CC1 1226615074 TUEHDCNNPROOIT-IBGZPJMESA-N 406.552 1.296 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2cccc(C(C)(C)C)c2)CC1 1228142022 KKUGXHAYWYCUEV-UHFFFAOYSA-N 422.551 1.158 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1251164884 ROIQVFHXGAMELF-MOPGFXCFSA-N 405.520 1.535 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 1251291621 RNSQBHQTQGDWPJ-NRFANRHFSA-N 403.479 1.870 30 10 HDEE C#CCN(C(=O)NCC(=O)N1CCCCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1251349295 DINQKFDJIDKDEE-KRWDZBQOSA-N 403.504 1.188 30 10 HDEE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1275543385 QDZGRZYJEXLSFL-XOKHGSTOSA-N 405.476 1.292 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1286357835 BKHANKAZOSDJMN-UHFFFAOYSA-N 410.478 1.109 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCOC 1286400520 BEIKROUOZQWGMF-UHFFFAOYSA-N 400.504 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)O 1286462580 NNKPXWONNDHCAM-UHFFFAOYSA-N 410.478 1.049 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(OCC(N)=O)CC1 1286591344 RHWLEASCUARLPM-UHFFFAOYSA-N 413.478 1.763 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCS1(=O)=O 1286727941 GEXXHWGEOOMUHI-UHFFFAOYSA-N 415.523 1.174 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(CNC(C)=O)CC1 1286784492 JLOIOZUMRKVRHA-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1286971010 GJMIJHUDZCAGEX-BIZBXSGISA-N 404.559 1.859 30 10 HDEE C=CC1(CC(=O)N2CCN(c3nccc(OC)n3)CC2)CN(C(=O)OC(C)(C)C)C1 1292470534 RSFAMNGHYUTSGI-UHFFFAOYSA-N 417.510 1.947 30 10 HDEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293660154 UACDWNGCSMHDMF-AATRIKPKSA-N 408.510 1.976 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294849229 KECAJQFWNNAPRZ-UHFFFAOYSA-N 420.477 1.724 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1296289363 SCHPNTVBVUXFEU-UHFFFAOYSA-N 422.493 1.055 30 10 HDEE CN(Cc1ccon1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298471786 LJDOVHPUJUJPRV-GFCCVEGCSA-N 402.436 1.318 30 10 HDEE CCOP(=O)(CN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)OCC 1299916679 KBZDJLJMVMNLCB-UHFFFAOYSA-N 403.397 1.519 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300302387 AKMHSPZSARLOPF-ZFWWWQNUSA-N 402.499 1.554 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1300509619 QKNUHZPHBQMMFU-SQNIBIBYSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1300578052 GFSJDYACSFFJQM-UEXGIBASSA-N 422.485 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1300581085 MFQHUNSOORCWPK-CYBMUJFWSA-N 415.391 1.609 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1300665793 OAGAQYMXJFLARS-SJORKVTESA-N 410.540 1.225 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1300989544 PKQFSFJSPSGDGJ-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCc2ccco2)CC1 1301063748 JLASUCYDVYBIGQ-UHFFFAOYSA-N 421.461 1.991 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1301272255 DULRJZHTTMXQCE-GFCCVEGCSA-N 410.475 1.288 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1301312915 REVJQJFGLCSZRZ-OTWHNJEPSA-N 407.559 1.981 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301463554 ZHXHALLJVDDHDI-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1301474750 HHNCVRHBKUABLZ-WMZOPIPTSA-N 412.494 1.546 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CCOC)CC1 1301490549 VGVMBPZZXWUKAK-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1301587670 QMGAXJLJHQYKCH-UHFFFAOYSA-N 411.572 1.382 30 10 HDEE CC(C)OCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303542281 WJTFCMWZKMMPCG-ZWKOTPCHSA-N 415.542 1.611 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2csc(NC(=O)OC(C)(C)C)n2)C1=O 1304727003 KISWDSUICUVIQK-UHFFFAOYSA-N 423.451 1.083 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1c(C)nn(C)c1C 1316285037 JVTZOGRXEGZIGE-RIFZZMRRSA-N 417.489 1.843 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1316285414 OTUROYUQSJWMBT-DEHKCJMMSA-N 411.503 1.355 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCc1nc(CC(=O)N2CCC(N(C)C)CC2)no1 1321238430 CEAOZUQCRUCOLU-UHFFFAOYSA-N 413.526 1.677 30 10 HDEE C=CCO[C@H]1CCN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1 1325224483 YCDMULAPMSSDEJ-CABCVRRESA-N 411.524 1.549 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 1337096363 ZLCJTIBTOFJAIO-UHFFFAOYSA-N 400.508 1.705 30 10 HDEE Cc1cc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc(C)c1C#N 1355099071 LCOLSRKMTXCZCI-UHFFFAOYSA-N 400.479 1.984 30 10 HDEE Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cnn1CCC#N 1357718641 QEHKEKGSZHXBLT-UHFFFAOYSA-N 407.478 1.811 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c(C)s1 1357936390 NYBIDAAIELPRCX-UHFFFAOYSA-N 421.548 1.930 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1358869279 FZCJQVYXLSEEMM-MSOLQXFVSA-N 402.543 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1358890601 RXMWFSWZVKMXHO-KSFYIVLOSA-N 422.537 1.388 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1358946272 OVTLDZGHELOHAX-IVZQSRNASA-N 422.489 1.284 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1CCCO 1358952388 JIPKIWUIMVLSGZ-INIZCTEOSA-N 416.551 1.186 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1358970839 YXBQPCLDKWXHGL-HTAPYJJXSA-N 411.481 1.697 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1359226362 DNBVPECJPXJNRU-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1359227150 UVQLQXRLRHPBCJ-MRXNPFEDSA-N 405.499 1.208 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1359277205 FNOOWVWLSHZGRA-DLBZAZTESA-N 401.467 1.473 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1359281995 OQRMBZDYSVVGOB-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCOC[C@H](C2CCC2)C1 1359302796 URJKQJKZHDIWSL-LJQANCHMSA-N 410.522 1.819 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359342449 YACWWVOLSHHHGQ-IXDOHACOSA-N 420.583 1.305 30 10 HDEE COc1ccc(NC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)cc1C#N 1438721317 PPNVLYFSPXZFDR-OAQYLSRUSA-N 408.414 1.981 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 1439560310 OUWILHYTYBNNGS-FRFSOERESA-N 412.446 1.563 30 10 HDEE C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1447749624 GVFDQUWDYYJBPU-LLVKDONJSA-N 412.309 1.402 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1 1449451227 HSYMSXWYJGLHMC-SFHVURJKSA-N 401.444 1.628 30 10 HDEE COc1ccc([C@@H](CO)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1451108772 LOBTWACLZJMUNP-QGZVFWFLSA-N 417.487 1.393 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)nc1 1453798858 CWKVCEAGZUDNDB-FQEVSTJZSA-N 410.449 1.518 30 10 HDEE COc1ccccc1-c1nnc(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)o1 1455475248 BVBMEGWYRQZWDK-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456055698 AHFGAVAWMNVQIK-MBSDFSHPSA-N 419.485 1.763 30 10 HDEE Cc1ncc(I)c(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1458252752 KAUOOMZYTVREKR-JTQLQIEISA-N 421.246 1.766 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)cn1 1460780300 LFUGPHBXWUSLRP-QGZVFWFLSA-N 421.910 1.745 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)cc1 1463233314 LUAZUUHRWCGOQV-GOSISDBHSA-N 421.519 1.536 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1464376534 AURZZPAFQJKVJG-IAGOWNOFSA-N 400.541 1.985 30 10 HDEE C#CCN1CCC(NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1471938825 WWLWRRCHELUPKS-QGZVFWFLSA-N 406.527 1.106 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2ncc(OC)c(O)n2)c1 1472022599 ZVFLTOPYYHWLEY-UHFFFAOYSA-N 403.460 1.653 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cccc(C(=O)OC)c1Br 1475545166 SQMGWWMCNNSNIK-NSHDSACASA-N 404.282 1.942 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1507573000 BZTCNGMLCAFEBW-NVXWUHKLSA-N 409.556 1.555 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1507630547 BQYXHWLMPRQLAW-ZDUSSCGKSA-N 410.450 1.422 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507632663 OSXLCUWOQIBDDJ-SJORKVTESA-N 410.540 1.224 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1507684914 JISUCTQNWDGARS-QGZVFWFLSA-N 419.493 1.295 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCC)CC1 1507739141 NIQUZDWMNXQPSI-KRWDZBQOSA-N 421.567 1.336 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCO[C@H](C)C1 1508093722 VQIHTIJDVLRIGP-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c(=O)n1C 1510878415 AZQHCKSSWXUXCQ-IERDGZPVSA-N 409.494 1.415 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1 1525599387 MABUUYKDDKRIJU-ZRGWGRIASA-N 408.524 1.058 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@]1(C(=O)OC(C)(C)C)CCOC1 1531237401 LEFZZDWORSCGHQ-NRFANRHFSA-N 413.478 1.767 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)nn1 1532953707 DEKFJHXAUKBPIH-QGZVFWFLSA-N 410.478 1.962 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1533649306 HORLVBPSJJKNQD-OIISXLGYSA-N 420.487 1.474 30 10 HDEE CC(C)NS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1F 1536709614 UFXAJVZGAKHKEA-UHFFFAOYSA-N 410.467 1.990 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1538589342 ONYLEWHPBPIVAR-AWEZNQCLSA-N 403.391 1.657 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1538976140 JESZTOVJRUWSCI-SQGPQFPESA-N 424.567 1.744 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1539154493 HYSHDGBXHOWNPX-KRWDZBQOSA-N 405.300 1.594 30 10 HDEE C#CCSCC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1539198914 DNOGOOKMUDWLPR-AWEZNQCLSA-N 414.268 1.657 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1539340021 BIQGSEOIODUUEV-NRFANRHFSA-N 407.478 1.396 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1=CCCOC1 1539401220 XIVILMCAEXJGJX-OAQYLSRUSA-N 404.511 1.751 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](CNC(N)=O)C3)CC2=O)cc1Cl 1540834631 HORJNMGZLCMHFV-GXTWGEPZSA-N 403.870 1.471 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](F)C1 1540871341 JIXNTSFUCACWKC-KEYYUXOJSA-N 401.442 1.887 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](OCC)C1 1540872798 AQOLLMDVTWDKIP-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1541801910 GXIDUWIUMGACTL-YJBOKZPZSA-N 423.521 1.912 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1541988957 CRWMDNFURJWUSU-OXQOHEQNSA-N 414.514 1.476 30 10 HDEE Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1542114078 VWULDTAFZLQRKH-HNNXBMFYSA-N 413.432 1.966 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1542750096 YCHRKAZMVWKHAP-UHFFFAOYSA-N 423.498 1.910 30 10 HDEE COc1ccc(Cl)cc1N1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1542766689 BCGFGDRTPRFKSV-AWEZNQCLSA-N 417.853 1.268 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nnnn3CC2)cc1 1544462974 MXOCTFMRZYHHIW-PWNVGIJBSA-N 417.495 1.077 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1554423865 WGPBZJTYCOTPFS-CEXWTWQISA-N 424.505 1.319 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1555984688 AEOVBLZMSGPKDU-AUUYWEPGSA-N 415.404 1.449 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc4c(=O)cc[nH]c4c3)CC2)c1C#N 1564892062 LMEYJMALGHATJG-UHFFFAOYSA-N 405.462 1.474 30 10 HDEE C#CCN(C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)C1CCN(C)CC1 1564901744 XTGCYIVACONFOS-UHFFFAOYSA-N 406.552 1.612 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 1569717133 CSQFGWLRNLCONT-INIZCTEOSA-N 423.498 1.930 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CCN3C(=O)CCNC3=S)CC2)c1 1584357257 YLCLWONPRRZTJF-UHFFFAOYSA-N 413.503 1.232 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CCC2=O)cn1 1585832810 OAEUZLIVPNYRCJ-HNNXBMFYSA-N 404.434 1.313 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1587898236 LKRAIFNJJULXHT-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@](=O)CC 1588481295 HHKCCUFQTCRENE-CQGGRAHPSA-N 417.510 1.777 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1588752772 VHDJJFWLAXPYOC-YRPNKDGESA-N 419.570 1.961 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589304548 HSHPREWFCILQAO-UHFFFAOYSA-N 406.288 1.316 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1594009135 FBZVNRANUKZUHP-MRXNPFEDSA-N 404.515 1.068 30 10 HDEE C#CCN(CC(=O)N[C@](C)(CO)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 1594933001 RZLLPKRBJHTHEI-QFIPXVFZSA-N 420.506 1.984 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1595475491 CYSOWQITOTZUCA-OAHLLOKOSA-N 401.515 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)[C@@H](F)C1 1595516830 KAGABMQQHQDDCU-HIFRSBDPSA-N 401.442 1.813 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1595522829 KTJZEBWSUNALJN-YWZLYKJASA-N 400.483 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1595785285 VLQSLUWAMDRFLK-QGZVFWFLSA-N 415.523 1.949 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)cc2)nc1 1611111925 PONNMNKOWRTOGI-FQEVSTJZSA-N 413.455 1.775 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1613547377 DCZWEBVKBLCSTQ-FUHWJXTLSA-N 418.542 1.988 30 10 HDEE CN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1617754673 OCMWWDDZYONKIP-UFOSLELVSA-N 400.483 1.687 30 10 HDEE COC(=O)CN(CC#N)C(=O)CSCC(=O)Nc1cccc(Br)c1 1618330533 QVDYJTXCRRTHBY-UHFFFAOYSA-N 414.281 1.646 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@@H]1F 1620304629 UCQBMULOIDQXMK-CJNGLKHVSA-N 408.441 1.764 30 10 HDEE COC(=O)c1cc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)cc(C(=O)OC)c1 1620625782 BNJOUPSDQNYEPJ-UHFFFAOYSA-N 416.430 1.536 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1624981558 UEQOUPXYZXRYLN-HZPDHXFCSA-N 404.467 1.869 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1627468952 HKTCWMMIKAIRNX-CXAGYDPISA-N 422.931 1.438 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NCc3cccc(OCC#N)c3)=NO2)C1 1628996491 OPBHGWDSMKPXNA-UHFFFAOYSA-N 400.435 1.971 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)c1 1630613932 PQRINBOOJLRQID-QGZVFWFLSA-N 411.439 1.616 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1632036180 YMVGSWZFRJZPIQ-SFHVURJKSA-N 406.914 1.576 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1 1632961306 VDUHZSPXOIUZAG-UHFFFAOYSA-N 415.302 1.700 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](N4CCCC4=O)C3)C2)C1 1634019220 FFOGSZNWXNULRX-JBLFJGJOSA-N 416.522 1.997 30 10 HDEE C=CCCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1634883928 FIQKRSJETDLWDF-IRXDYDNUSA-N 412.446 1.777 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1636632222 TVISDFMTZFPSNO-HOTGVXAUSA-N 407.511 1.981 30 10 HDEE C#CC[C@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1637697403 QTRWGFWAHDWQRD-ZDUSSCGKSA-N 400.435 1.325 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1637809193 FEGIMFYZQQQMRR-OAHLLOKOSA-N 405.520 1.365 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCCC=C)c2ccccc2)CC1 1638030421 VNMGQRZVHNVEIA-LJQANCHMSA-N 404.536 1.879 30 10 HDEE CC(C)(CCC#N)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638349268 CUVNHDQGEOYPLP-CQSZACIVSA-N 401.529 1.857 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)CSc2nc3c(cc2C#N)CCCC3)CC1 1640826466 GGYFLBKBSDTRKT-UHFFFAOYSA-N 408.549 1.464 30 10 HDEE CC(=O)N1CCN(c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)CC1 1650636131 WGSWTKKEZPDLMD-UHFFFAOYSA-N 405.458 1.595 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)C1 1651805194 CSWDOJYUMMGAAI-KRWDZBQOSA-N 402.454 1.919 30 10 HDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)NOc3cccc(C#N)c3)ccc21 1654769990 NUAHVMLTXMPASA-UHFFFAOYSA-N 422.445 1.938 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@](O)(C3(C(=O)OC)CCC3)C2)c1 1655701263 DOZLKGQEABACQO-JOCHJYFZSA-N 413.474 1.486 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1663616415 FICFEHQFDCRWMW-ZIAGYGMSSA-N 406.501 1.050 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OC 1664237765 OPZYLEDYLWWHGO-MQNRADLISA-N 403.526 1.722 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccccc1 1669959026 KRAWQSHURUJFRU-KRWDZBQOSA-N 419.441 1.676 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 1671140347 QIUKFWLTYFNWBB-UHFFFAOYSA-N 403.254 1.896 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)c1C 1671495385 QUQSZTFNVMVNOL-XJKSGUPXSA-N 419.482 1.678 30 10 HDEE CSc1ccccc1OC[C@H](O)CN(C(=O)NCCn1cnc(C#N)n1)C(C)C 1672542021 GJAFICPWIFWXPO-OAHLLOKOSA-N 418.523 1.732 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1674010372 ZOHKDYNGJMGKTH-UHFFFAOYSA-N 400.512 1.489 30 10 HDEE C=CCCSCCNC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1675614135 KQDCVUFSPKLVJU-UHFFFAOYSA-N 400.545 1.674 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)C1CCOCC1 1682892969 JFPHLYRTFNBDDI-KBPBESRZSA-N 407.268 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1682991977 LGFBKDQHDFIRCQ-MSOLQXFVSA-N 400.479 1.961 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccccc1 1683676411 MNKAMIPVDHMWMX-KRWDZBQOSA-N 402.476 1.682 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CCO2)cc1 1684465443 YTNUFTXIYDEVIA-YADHBBJMSA-N 421.501 1.937 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)C1 1685177014 JAQOQBGKPCFXOS-FQEVSTJZSA-N 400.498 1.961 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689930122 LAWMQYSQEZOAFZ-GOSISDBHSA-N 422.537 1.826 30 10 HDEE C#CCN(c1nnc(C)n1Cc1coc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1689982170 JAASOJQDHDZJOG-SFHVURJKSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689994232 UMHPBYHHXKMFAT-ZWKOTPCHSA-N 415.519 1.070 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CC)CCOCC2)CC1 1690122270 MGZVWWVNFAXUMF-QGZVFWFLSA-N 400.527 1.191 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)C(C)C)CC1 1690145910 AQLJNLGWAHKELK-XMSQKQJNSA-N 417.554 1.545 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C1CC1 1690190099 LCIONFUHKMGOOS-YZVOILCLSA-N 408.572 1.363 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1690523172 VNNYJJAJFRVIJA-LJQANCHMSA-N 401.540 1.565 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1690604291 RRNAEVLGLYNCMB-GCJKJVERSA-N 411.506 1.616 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(F)c2[C@H]1C 1690659433 SKBTWBVCZKTDLQ-CQSZACIVSA-N 414.485 1.981 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCOCC2(CCC2)C1 1690660183 AYSCWBZCZVQWEG-INIZCTEOSA-N 407.515 1.311 30 10 HDEE CCc1cnc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@H](C#N)C2)s1 1694567248 CKCFMDSCNGIOJU-OAHLLOKOSA-N 412.523 1.936 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1695339930 BWFHVWQXPYOEEC-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE CCN(CC1CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1695710714 MYBNIRONXFPTMF-CZIZESTLSA-N 424.509 1.831 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1696085190 CTFUSFHNTIIMNE-YLJYHZDGSA-N 406.531 1.389 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1705482195 UQWWRUPYKKIVLG-HNNXBMFYSA-N 412.519 1.897 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1705486076 WKSIQZJEXJWCBQ-WMLDXEAASA-N 419.493 1.293 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCN(CC)C(=O)OC(C)(C)C)CC1 1705643145 UBXMPHLSZVKTEG-UHFFFAOYSA-N 420.558 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@](C)(O)CCOC)CC1 1705644351 NSQWGWWETOJSQV-IIBYNOLFSA-N 405.543 1.545 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)N2CCC(C)CC2)CC1 1705649988 KNESHUFGNMESKJ-SFHVURJKSA-N 400.571 1.927 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2OCCC2(C)C)C1 1705929745 WXHLFDNMODNEAW-DLBZAZTESA-N 403.527 1.997 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1706058758 LQNDAZXLNXMANI-UHFFFAOYSA-N 409.494 1.448 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1712168018 WKMMOVLOOHCYBR-IAGOWNOFSA-N 421.498 1.815 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1722275529 DYCDNOYTDVKIRV-XMSQKQJNSA-N 419.570 1.887 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCOC2)c1 1722309934 RDLYUVJTCSQYDI-KRWDZBQOSA-N 417.473 1.828 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1722358646 JTYWZBIKBQVHNP-MRXNPFEDSA-N 417.535 1.654 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCSC1 1722408005 WWNQGBGLDHMWKU-LJQANCHMSA-N 410.507 1.248 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(C3CC3)C2)CC1 1722430891 JZPHUYJFNCQMPT-RBUKOAKNSA-N 416.570 1.242 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1722620574 PCSIPQJZEGROTF-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1)C1CC1 1722647031 PJMLMVWBMZXGRY-MRXNPFEDSA-N 410.588 1.775 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1723589837 BUZLHZZMJTVTQK-LJQANCHMSA-N 415.477 1.224 30 10 HDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1730696533 FAESTYJFWUFGIC-SFHVURJKSA-N 412.494 1.902 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)CCS(C)(=O)=O 1740580862 KAUBEEHNGHJUGA-UHFFFAOYSA-N 404.496 1.210 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740626158 JWJPICJPMGVCNC-MBOZVWFJSA-N 424.567 1.350 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(N)=O)c1 1740687272 XNBNVGXNQQXTSI-UHFFFAOYSA-N 424.530 1.867 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1740898649 TUUFYOIRYFAYIY-HNNXBMFYSA-N 410.500 1.250 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 1740978848 DBSUZDZROCOPST-HZPDHXFCSA-N 402.499 1.069 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1740981834 XWSHUBQCMUFGMV-GJZGRUSLSA-N 405.890 1.561 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)C1 1740982658 VPQLSRJYVUQBGY-BRWVUGGUSA-N 410.540 1.388 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1748685208 VSLJNHMUSQUWOF-NVXWUHKLSA-N 419.555 1.022 30 10 HDEE C#CCN(c1nnc(C)n1CCc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1748805500 SOILFXQJXCHTRZ-SFHVURJKSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1748842588 NQPKCAIFVNKLLN-UHFFFAOYSA-N 416.441 1.226 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)C(=O)NCC2 1748907284 QSLLFAMQVDTHRS-UHFFFAOYSA-N 422.533 1.990 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748927590 ULCQGZRPHPWGRE-WOJBJXKFSA-N 422.533 1.590 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1748948079 HBGRWUQZHPASOI-UHFFFAOYSA-N 424.549 1.836 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(OC)C2CC2)CC1 1748971164 FXYQDQSKZKQYTO-NRFANRHFSA-N 400.527 1.084 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1749065690 ANTFCZWRTSYSEJ-AUSJPIAWSA-N 419.551 1.087 30 10 HDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1749447294 ATMURYAMXKIECB-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1749488360 JJAQOQVQISVBHA-CQSZACIVSA-N 411.553 1.651 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749672569 YLEURXZNGFRWHI-OAHLLOKOSA-N 417.514 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cc[nH]n2)C1 1749703723 NOTHGFVCQCJANI-HNNXBMFYSA-N 408.466 1.275 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCOCCCO)CCN1C1CC1 1750387931 FJVKKGCRRSWSGO-GOSISDBHSA-N 416.551 1.506 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)cs1 1751782487 JOZTUKYBPOYHRR-OHZJNBGDSA-N 420.564 1.664 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1760102774 QHICLRCRDHXIBB-WBVHZDCISA-N 418.519 1.612 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760114511 NYMIOBGBOFKQLR-BQFCYCMXSA-N 406.490 1.740 30 10 HDEE C#CCN(c1nnc(C)n1CCN(C)Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760180864 MGWZGLNQVSJUME-IBGZPJMESA-N 419.526 1.484 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2CCN(CC)CC2)CC1 1760258142 QACBCKWFVGCQHQ-UHFFFAOYSA-N 424.597 1.066 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC(O)CC2)C1 1760544845 IGTLVCWQVBWZIX-FQEVSTJZSA-N 412.538 1.968 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760694668 YXDFKMIVLRPVLQ-BBRMVZONSA-N 406.450 1.401 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760936539 ZCWHVHPWXBBUFH-QBHGPPCGSA-N 402.499 1.789 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1761274094 LBKCXMPVUJYPFD-VLIAUNLRSA-N 416.482 1.532 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1761274095 LBKCXMPVUJYPFD-XOBRGWDASA-N 416.482 1.532 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)COCCO1 1770201915 HHUNNHZBWRKIBU-ILRDRHFLSA-N 409.462 1.250 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1771024027 OADNZHNSHJBQRA-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE COCCOC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1771257282 XADQLWIXIKJSJW-HNNXBMFYSA-N 401.467 1.927 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)C1 1771530265 GGKCDKLIENBXRE-FQEVSTJZSA-N 420.489 1.428 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3c(C(F)(F)F)nc4ccccn34)CC2)n1 1851175600 DVUDNBMATGBJLY-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1851929721 NTVWAZBZJRQXDN-FQEVSTJZSA-N 418.453 1.955 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CCC3=O)C2)no1 1853687290 KESSJLSMKMDXIV-MRXNPFEDSA-N 413.478 1.056 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1853748990 UZFSKFCHHSXGNT-QGZVFWFLSA-N 423.922 1.867 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1=O 1853827812 GCQIOMKYMBNJGV-MSOLQXFVSA-N 405.445 1.744 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cnn(CCC)c2C2CC2)C1=O 1854167489 HMGAJNRKVTYUQS-ZWKOTPCHSA-N 413.522 1.630 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1=O 1854231148 VWJDMMVAWHLFLC-KRWDZBQOSA-N 409.483 1.743 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1854292090 VTYQMYROJRDUCS-IBGZPJMESA-N 404.474 1.609 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nn2C)C1=O 1854338234 MJYNFVUVEZRJSA-INIZCTEOSA-N 409.446 1.792 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cn(-c3ccncc3)nn2)C(=O)C12CCCC2 1854465570 RLEURXNVUHLFMU-INIZCTEOSA-N 407.478 1.952 30 10 HDEE C[C@H]1CCN(C)c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)cc21 1854708530 LDFXWEPJKAFLPX-KBPBESRZSA-N 404.492 1.156 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F 1854822478 BJFUDUDPSFLEGZ-JTQLQIEISA-N 405.354 1.247 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1 1854941916 USNAJDUCCBDKKA-MJGOQNOKSA-N 413.522 1.920 30 10 HDEE CC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855845712 ZFHGELLGISEHOG-WBVHZDCISA-N 418.519 1.038 30 10 HDEE Cc1nnc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@@H]2C)n1C 1855864010 OTQCIEGAFGOVQZ-LBPRGKRZSA-N 400.870 1.716 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)Cc3ccsc3)C2=O)CC1 1856126287 JLLOKYLGMVAQGD-SFHVURJKSA-N 409.515 1.897 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CC[C@H](S(=O)(=O)c4ccccc4)C3)C2=O)c1 1856463577 IUOCQBFTYGSWIR-VQTJNVASSA-N 423.494 1.848 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4sccc4C3)CCC2=O)CC1=O 1856719020 XLIFSYSDUHGJIG-DOTOQJQBSA-N 401.532 1.906 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)CC1 1856959745 BOANAFZDELHBLU-KRWDZBQOSA-N 404.511 1.856 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4cnccn4)C3=O)CC2)n1 1856974118 BHPFVNCTHUOUCO-SFHVURJKSA-N 406.446 1.275 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nc(C)n3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857263878 UMOLBJOZZLELSC-FUHWJXTLSA-N 409.490 1.350 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858325347 FVPVZRRPVZWIKA-SFHVURJKSA-N 419.528 1.749 30 10 HDEE CCOC(=O)CN(C)C(=O)[C@@H](C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868781900 BVBIGNOAVFCPEU-ZBFHGGJFSA-N 420.535 1.551 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870395470 JCFAHNBQZYJLOV-UHFFFAOYSA-N 410.518 1.477 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NC[C@H]3CCCO3)ncnc21 1875228203 FILQPAJEKPOEPH-OAHLLOKOSA-N 412.494 1.546 30 10 HDEE CN(C(=O)c1coc(NC(=O)c2cccs2)n1)C1CN(c2nccnc2C#N)C1 1891944018 GAIXGKYUWHRPFI-UHFFFAOYSA-N 409.431 1.611 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1895890666 GYWMDMWNPBODIW-CEXWTWQISA-N 414.506 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C[C@H](O)C1 1990024000 IYNPGRWGSYHYPG-LDTOLXSISA-N 410.320 1.955 30 10 HDEE CN1CCCC1=NS(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nccn3C2)c1 2053623256 OJKZAIWHABGBPQ-CQSZACIVSA-N 401.492 1.897 30 10 HDEE CC1(C)OB(c2cnc(N3CC(n4ccnn4)C3)c(Br)c2)OC1(C)C 2116142530 NSCDEQDFFHXSRL-UHFFFAOYSA-N 406.093 1.796 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2118172827 YPYNZAXZKHANDH-SHZVTRLKSA-N 406.530 1.232 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(F)ccc3F)s[nH]2)OC1(C)C 2166426371 VXZGMDARVNLDNH-UHFFFAOYSA-N 403.241 1.338 30 10 HDEE C=CCC1(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 2173552133 FQRNFUGTCBFBGY-LBPRGKRZSA-N 415.478 1.964 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)CCC1(F)F 2174780123 QJNYIRGDDUEKEL-STQMWFEESA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174789462 QUWZTDIECOGSPV-CIICLBFASA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(NS(=O)(=O)N3CC[C@@H](C#N)C3)CCC[C@@]2(F)C1 2182450138 JNLAQSDDGLTALJ-XKQJLSEDSA-N 402.492 1.548 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2202906485 JUMGSCGDWPADDZ-OAHLLOKOSA-N 403.545 1.711 30 10 HDEE Cc1cnc(N2CC(O)(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2217455043 BEFXPBSTJXJVOF-UHFFFAOYSA-N 419.331 1.765 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258156778 OQUSFQZBZJQUEE-IAGOWNOFSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@@H]4CNC[C@@H]43)cc2Cl)OC1(C)C 2267352014 HRAKIDKLEHHESO-BZBKMWRSSA-N 404.750 1.197 30 10 HDEE CC(C)[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355076 SFEHVPCRNVZMLF-NSHDSACASA-N 409.766 1.996 30 10 HDEE C=CC[C@@]1(CO)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2272084453 HMEVVXJKOPRMFA-OAQYLSRUSA-N 420.531 1.899 30 10 HDEE Cn1ncc(NS(=O)(=O)c2cccc(F)c2C#N)c1I 2280046250 TWXBTVWKNOARFB-UHFFFAOYSA-N 406.180 1.836 30 10 HDEE CCn1ncc(NS(=O)(=O)c2ccc(C#N)nc2)c1I 2280049971 JFNMIRPDZVPYGO-UHFFFAOYSA-N 403.205 1.575 30 10 HDEE CCN1C(=O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1=O 2282331756 ROFBOJUATLPXFL-UHFFFAOYSA-N 400.287 1.020 30 10 HDEE CC(C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCN1 2282334011 WBJPZLFDJPWLJY-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(C(F)(F)F)COC2)OC1(C)C 2282491465 LNMGWVSHDCGEAC-UHFFFAOYSA-N 413.248 1.657 30 10 HDEE CCON(CCN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282832558 ARFFTMSOMQAQGL-UHFFFAOYSA-N 404.725 1.540 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C)C[C@H]1C 2282837350 UFMBAMBGZXFOIM-DGCLKSJQSA-N 400.375 1.584 30 10 HDEE C[C@@H]1CO[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838546 PZLGVILGWKYKQG-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840842 PZYOJYVYVVUTJM-FTJNGKRUSA-N 422.403 1.019 30 10 HDEE CO[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869279 ABTXODLBOKDXLC-ABAIWWIYSA-N 401.721 1.952 30 10 HDEE CCCSC[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284376471 BJMQJEBWMKJEJY-NSHDSACASA-N 400.331 1.769 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCS(C)(=O)=O)c(Cl)cc2F)OC1(C)C 2285972414 FZRWINIGIFRHBH-UHFFFAOYSA-N 405.684 1.553 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)CCN(C)C(=O)OC(C)(C)C 2365210200 JSVHULQJBREWAZ-HOTGVXAUSA-N 404.573 1.799 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2367785499 DWCGVTMTCZULSS-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367830110 GEKXPESVSAEPRV-YZVOILCLSA-N 400.541 1.292 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2cc(I)ccc2F)CC1 2367850186 WNAYIURRJPTQLB-LBPRGKRZSA-N 408.236 1.515 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(NC(C)=O)cc2)n1 22628995 NLSFSPBDTDXCFL-UHFFFAOYSA-N 415.475 1.304 30 10 HDEE C=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 256283440 BZQDHZDSIXPDSS-SLBWFCDUSA-N 422.430 1.187 30 10 HDEE C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)Cc1ccc(O)cc1)CC(C)=C1C(=O)C=C(CO)[C@H]12 257555539 UMVSOHBRAQTGQI-MVWVFHAYSA-N 410.422 1.782 30 10 HDEE endogenous,in-man CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NCCSCc1ccccc1C#N 410208699 ZERIXTYWIIUVHW-WBVHZDCISA-N 410.565 1.809 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](CO)c3ccccc3)C2=O)cc1 426904013 UZHVDFHTEMAKTL-HKUYNNGSSA-N 406.442 1.656 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 434794033 MKVUXNAFHMXWAP-DJJJIMSYSA-N 401.492 1.693 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N1CCN(C(=O)c2cccs2)CC1 443555743 XSHOLUYOLIDYLT-UHFFFAOYSA-N 421.482 1.623 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCC(C(=O)NCCCN4CCOCC4)CC3)CC2)cc1 444083011 OHKGEJYXAZQCPT-UHFFFAOYSA-N 424.545 1.667 30 10 HDEE COc1cc(NC(=O)CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc(OC)c1 480722516 XLDJYPQCVLXKDX-UHFFFAOYSA-N 407.423 1.773 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc3cc(S(=O)(=O)CC)ccc3o2)CC1 483428102 MKFADUOZDUHWPU-UHFFFAOYSA-N 406.508 1.041 30 10 HDEE COCCNC(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 488084057 GVTSGKLPGZCLCP-UHFFFAOYSA-N 408.462 1.684 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1C#N 489120008 YRRYMRREWHIAPQ-UHFFFAOYSA-N 406.414 1.687 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)cc1 500545905 CBZRZQGNDLDOOU-UHFFFAOYSA-N 402.414 1.525 30 10 HDEE CN(C)CCCNS(=O)(=O)c1ccc(N2CCC(C)(C#N)CC2)c([N+](=O)[O-])c1 503297242 DVCVINDFWQVYBA-UHFFFAOYSA-N 409.512 1.955 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)NCCN3CCc4ccccc43)CC2)c(F)c1 507181578 KXQNQGYHLZWBKE-UHFFFAOYSA-N 407.493 1.998 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 512659069 CPJYJHCVTPBGJN-UXHICEINSA-N 405.506 1.865 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(CCNC(=O)c4ccccc4F)CC3)n2c1 513707774 IQEKZMKVPJKMIP-UHFFFAOYSA-N 406.465 1.893 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1Cc1ccccc1 521286428 UMNMFGRLAHAPNU-UHFFFAOYSA-N 403.507 1.824 30 10 HDEE N#Cc1cccc(CC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 530668650 QUDIPHSXYMOZLU-IBGZPJMESA-N 413.499 1.874 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 535408586 DSKNWAXRLFDPPP-GOSISDBHSA-N 424.482 1.837 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)n1cnc(C#N)n1 539504157 SBULGWKQBMALOJ-HNNXBMFYSA-N 424.486 1.397 30 10 HDEE C[C@@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 539999608 SJRHSYXMXZFOOA-HZPDHXFCSA-N 406.508 1.389 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@H]1CC=CCC1 542246277 BZKDDSUHMZXOIV-SFHVURJKSA-N 416.547 1.679 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 543124658 MOCWVDROKSHKER-FQEVSTJZSA-N 405.502 1.846 30 10 HDEE Cn1cc(C#N)cc1-c1nc(Cc2nnc(N3CCOCC3)n2-c2ccccc2)no1 546948286 HZWDRPIPHOGWNC-UHFFFAOYSA-N 416.445 1.955 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 558290811 CQXRWTYVQNJCAV-LJQANCHMSA-N 409.508 1.906 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 564375240 BOOATBKGOFPSNL-GOSISDBHSA-N 402.451 1.934 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 577920077 AHXNKIJRJLQMLM-OAHLLOKOSA-N 411.553 1.885 30 10 HDEE Cc1ccc(-n2cnnc2SCC(=O)N2CCN(C(=O)CC#N)CC2)cc1Cl 579049351 NXOIGUUUYPSPKE-UHFFFAOYSA-N 418.910 1.906 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1-c1ccccc1C#N 604002348 OUSDIHMKPRUKSU-UHFFFAOYSA-N 400.463 1.328 30 10 HDEE Cc1nc(=NC(=O)c2nc3ncc(Br)cn3n2)n(-c2ccc(C#N)cc2)[nH]1 610232214 YNOZMSNYZKUBPC-UHFFFAOYSA-N 424.222 1.322 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 610598624 AOSOSDOEXLRFLC-BTYIYWSLSA-N 414.462 1.563 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)C1 619853351 HELUKGTTYBRWSE-APWZRJJASA-N 409.429 1.542 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2c2noc(C)n2)cc1 679422758 CALQHTDJFSMHPL-MRXNPFEDSA-N 421.479 1.790 30 10 HDEE CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4ncccc4C#N)CC3)nc12 725796353 SMHZRBWERUAGEH-UHFFFAOYSA-N 407.434 1.200 30 10 HDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 727418681 VLYDIWCVDYFNRG-UHFFFAOYSA-N 409.442 1.721 30 10 HDEE Cc1sc2ncn(CCC(=O)NCCN/C(O)=C3\N=CC=CC3=O)c(=O)c2c1C 732153771 OZJIDJIWOYCSDS-WUKNDPDISA-N 415.475 1.108 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1nc(CN2CCCCC2)cs1 732233267 AOBIJGRDRQDCCU-NXVVXOECSA-N 404.496 1.777 30 10 HDEE N#C[C@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCN1C1CC1 733350774 AGRGOEUOUXSVPK-FQEVSTJZSA-N 416.570 1.093 30 10 HDEE Cc1sc2ncn(CC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(=O)c2c1C 760407599 XYJRGFCMDDDYAV-UHFFFAOYSA-N 422.532 1.995 30 10 HDEE Cn1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(-c2ccccn2)n1 762554468 MQXUCMZMOVMQMJ-UHFFFAOYSA-N 410.459 1.549 30 10 HDEE CCn1nc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)c(=O)c2ccccc21 766976357 DVBSSUINLBHNDE-UHFFFAOYSA-N 412.427 1.415 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)c1cc[nH]n1 770823768 KYRSNMUYVFJJIA-UHFFFAOYSA-N 413.409 1.899 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 773968763 HHOZQWZJRNDKEC-HOCLYGCPSA-N 422.507 1.475 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)[C@@H]1CCS(=O)(=O)C1 774053236 OQMJOFADFOFORX-OAHLLOKOSA-N 413.521 1.029 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 774195776 MPQRMQSIQIGAFY-ROUUACIJSA-N 419.503 1.136 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 781370804 HPHBANIUHXQVBP-BQASMSSTSA-N 411.380 1.855 30 10 HDEE CCOC(=O)C1=C(C(=O)C(C)C)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783809423 TXBUUBDPKGMGSQ-JTQLQIEISA-N 415.313 1.744 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)CC1 786120744 RCYIMDGBETZVII-UHFFFAOYSA-N 404.536 1.858 30 10 HDEE N#Cc1cccnc1NCCNC(=O)C(=O)N1CCN(c2cccc(Cl)c2)CC1 787756537 AKIQAFIGYIJDDD-UHFFFAOYSA-N 412.881 1.484 30 10 HDEE Cc1nn(C)c(Cl)c1CN(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 788238095 YHIYBIIUJISDQN-UHFFFAOYSA-N 409.899 1.846 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(F)c2C(=O)OC)n1 788695435 NJFRELVNLJDOFM-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)n1 788814528 ZIVQMWMYOUCLRR-FQEVSTJZSA-N 408.474 1.840 30 10 HDEE C#CC[C@@]1(C(=O)N2CCCN(CCOC)C(=O)C2)CCCN1C(=O)OC(C)(C)C 791224480 BFSJWVYLCVKLBS-NRFANRHFSA-N 407.511 1.487 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2ncccc2O)cc1 791782191 IJXSQZHBWOXCIP-OQKWZONESA-N 403.464 1.922 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)n1 807459004 NLGJMGSFDWGKMY-SFHVURJKSA-N 416.526 1.355 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 812103323 LPDZWTFCUISIHX-LSDHHAIUSA-N 408.503 1.829 30 10 HDEE COC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc2[nH]ccc12 813863466 TYYZPDROGGGVHF-UHFFFAOYSA-N 412.427 1.632 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C[C@H]1CCCO1 916197296 PXLINEPLEIOZHV-CQSZACIVSA-N 416.300 1.878 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)c(-c2ccc(C#N)cc2)n1 1127995685 ZHIBNCQHKBYSIX-NRFANRHFSA-N 406.446 1.295 30 10 HDEE CS(=O)(=O)CC1(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)COC1 1130977486 OUJFODSDYBAVMY-UHFFFAOYSA-N 400.456 1.681 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CSc1ccc(C#N)cc1)CCS2(=O)=O 1134859262 KYIGCYKWDTXGKM-XAUUPUKJSA-N 422.528 1.666 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1136918838 IQTOPUGQIFJSNS-QGZVFWFLSA-N 418.494 1.537 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCc2ccc(C(=O)NO)cc2)C1 1139227275 MGGRAHOMJFKHGQ-INIZCTEOSA-N 407.467 1.838 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCN(c2ccccc2C#N)CC1 1143726975 JKXPMWIWIZOHDH-UHFFFAOYSA-N 413.522 1.406 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1144512397 USPJQZZXMNJCLC-KRWDZBQOSA-N 424.542 1.433 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H](O)[C@@H](O)c1nc3ccccc3s1)C2 1158216571 ZRSWGZRDRPDARN-CABCVRRESA-N 400.485 1.791 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 1158651967 GLNKGVNPHTZZQQ-OLZOCXBDSA-N 408.455 1.320 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C3CCC(CC3)[C@H]2C(=O)OCC)c1 1159207500 FVRJFWREUGXZOT-PVARCSIZSA-N 404.488 1.544 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)cn1 1177114064 KDIWGKCOGDDAOF-UHFFFAOYSA-N 417.267 1.405 30 10 HDEE CCC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1188183523 GBKMKQIGXRMEIY-JTQLQIEISA-N 404.261 1.749 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCCc2c(C#N)cccc21 1195818889 IEHQKTLNZDXYCT-UHFFFAOYSA-N 400.460 1.606 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)c1[nH]cnc1CCN2CC(=O)NC1(C#N)CCC1 1196421671 ZUOQPWRGKGMFPK-OAQYLSRUSA-N 414.510 1.666 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1213706398 KWSXGRRXEKYGMA-LLVKDONJSA-N 406.323 1.887 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)nn1 1252076431 FQTMHKATAJTJSQ-OAHLLOKOSA-N 408.384 1.866 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC)c1ccc(Br)cc1 1252459369 RAEMKDKNUJRKJW-BFHYXJOUSA-N 401.282 1.235 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286383473 DGHWHRHMJXMPEQ-SJORKVTESA-N 407.584 1.543 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCS1(=O)=O 1286413237 SSPJSXUESRBIER-QGZVFWFLSA-N 402.545 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1286432305 DXRDCGAWEDGXQM-SFHVURJKSA-N 414.535 1.037 30 10 HDEE C=CCSCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286832604 WTYFGRYYKXUNRE-FUHWJXTLSA-N 406.600 1.749 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1288524502 DJEGAYDZUXURRK-OAHLLOKOSA-N 402.524 1.970 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)c1 1291747893 ARGXCKNZRDQCOK-KRWDZBQOSA-N 412.467 1.690 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2C(=O)c3ccccc3C2=O)c1 1297561097 HPGXXLXTYBYQHY-UHFFFAOYSA-N 424.478 1.900 30 10 HDEE CCS(=O)(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1297769769 WTUFDFYDSMRVRA-QGZVFWFLSA-N 400.524 1.638 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC23CCOCC3)cn1 1298163952 KTEXXINVHKIYFQ-QBNCKDSPSA-N 413.478 1.059 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C)cc1OCC)[C@H]1CCS(=O)(=O)C1 1300483485 KFTZPLHTSONFEA-SFHVURJKSA-N 402.520 1.969 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300491979 KLRQRNBVXGTPRN-SJORKVTESA-N 417.535 1.356 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300495419 HIDJDCKWIJBODJ-HAWMADMCSA-N 414.597 1.262 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCN2CCC)CC1 1300696333 YJVJHFUVSBQVFO-FQEVSTJZSA-N 410.570 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1300727452 YBLMZCRKFAYNNZ-GDLZYMKVSA-N 419.595 1.744 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1300918017 RRVOZGSNVUVQLR-HXUWFJFHSA-N 422.526 1.960 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@@]2(O)CCCOC2)ccc1F 1301312147 BACGNXVAFOEEFL-LJQANCHMSA-N 414.499 1.588 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C 1301367499 PCBLOYBSJHRPFS-PKOBYXMFSA-N 424.615 1.755 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CCC2)C1 1301566032 JAHAQMZFRMBMJM-HYDGNGQDSA-N 421.567 1.483 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)Cc3ccc(C#N)cc3)CCO2)cc1 1309712149 HYJINBMPSSDYOT-LJQANCHMSA-N 420.512 1.865 30 10 HDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(CCC#N)CC3)ccc21 1309777524 DXTOHPKLFFMNFO-UHFFFAOYSA-N 404.536 1.941 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1314450172 ZUSAHFPLSQGDNJ-IAGOWNOFSA-N 416.526 1.945 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1314672268 YMJXGECHWFWXMP-WCRBZPEASA-N 424.549 1.992 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316540075 UBIGWQGQBXBALA-PMACEKPBSA-N 410.522 1.911 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)NCCN1CCOCC1 1356424180 IBIZQAQKTCFTDS-BEFAXECRSA-N 402.495 1.160 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1358912458 RKQHVGMTDGVKJB-QGZVFWFLSA-N 423.583 1.836 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1358950696 VSVAXKVOBMGVPG-UHFFFAOYSA-N 409.943 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CC 1358984595 BQDSUOCAFVSEBL-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1359015249 MUIUUSVIULZUMQ-LPHOPBHVSA-N 413.526 1.828 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359081482 CIFLQFNWKXXJJG-AAEUAGOBSA-N 404.272 1.359 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCCC1)C1CC1 1359247265 XNLCQTZUSWQEOT-CYBMUJFWSA-N 410.544 1.089 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nnc(C)s2)C1 1359312356 SUSMHTXWNKBHAD-HNNXBMFYSA-N 417.539 1.698 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2COCCO2)C1 1359313551 NWEIFTXBPJSMHP-OPYAIIAOSA-N 422.526 1.517 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1359320742 UYXJVBQPZTXTNY-AZUAARDMSA-N 419.570 1.800 30 10 HDEE C[C@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1360552988 GEWZZFDFHSWDNB-HUUCEWRRSA-N 415.498 1.465 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1451871466 BAFRMWSKCTVWQV-UWWQBHOKSA-N 421.519 1.748 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1453929639 GCPLAZVNPKYLDO-CQSZACIVSA-N 406.416 1.948 30 10 HDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)no1 1460675722 PRNOPZVFURMRRL-XVLXNVKGSA-N 400.527 1.781 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CCC(=O)OC(C)(C)C)C1=O 1461083636 GSPAEPHLZICYCD-AWEZNQCLSA-N 407.467 1.466 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1464379709 IPDAWKQPSUKRCU-INIZCTEOSA-N 416.565 1.857 30 10 HDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC#CCO)c1 1467504335 QSVUKBPUGCWJKU-CQSZACIVSA-N 402.447 1.691 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OCC 1468125009 IORKLTFDVHORFZ-OAHLLOKOSA-N 408.476 1.867 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](c1ccccc1)C1(CO)CCOCC1 1469486222 IUFJIGWTYJOUGY-YDJIHCHBSA-N 413.474 1.550 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@@](CO)(C(F)(F)F)C2)C1 1469727758 BQUNYMZPNNMQJX-MQIPJXDCSA-N 406.405 1.702 30 10 HDEE Cc1noc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)n1 1493101162 BDPISDLYUZJPME-ZDUSSCGKSA-N 409.454 1.846 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1507543186 VBIQWRQESWNGIG-RDJZCZTQSA-N 419.489 1.727 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1507613663 YJVGMLDDTHCBRP-ZZEZOPTASA-N 420.429 1.270 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507631205 MTCYMEVCTFWWFQ-DLBZAZTESA-N 412.519 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(-n2cccn2)c1 1507666573 CFYVROYZMSTBEL-GOSISDBHSA-N 414.473 1.321 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1507687875 UDCCPGWPPSGXRQ-SFHVURJKSA-N 408.506 1.877 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N(C)C)CC1 1507738649 TZXVGYKDRZVTQF-QGZVFWFLSA-N 409.538 1.564 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCn1cccn1 1507808997 RZQHQMJEEREAEQ-PXNSSMCTSA-N 413.526 1.715 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507910034 CXKUHTXLCLNPSD-HNNXBMFYSA-N 402.499 1.757 30 10 HDEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507929545 RSOZXLKNBOEFMH-IBGZPJMESA-N 420.539 1.467 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccn(C)n2)C1 1508111480 YRHNFRWZXFTJDG-QGZVFWFLSA-N 422.493 1.683 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1508144440 DOJLODAPCKRRRE-AWEZNQCLSA-N 424.527 1.526 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2ccco2)n1 1511692444 BJBNEXDIBNFBSQ-UHFFFAOYSA-N 422.493 1.903 30 10 HDEE CCCCN(CC)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1514453764 SYSATGFTISSFPW-HTXNQAPBSA-N 410.482 1.888 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515855871 CSKBYJFUIKNMDT-RBUKOAKNSA-N 423.521 1.252 30 10 HDEE CN(C)C(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1516969014 JGTVCMGRVCRBDY-SFHVURJKSA-N 408.506 1.955 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1517564440 YNXCGPOEGWYHJJ-OAQYLSRUSA-N 412.494 1.585 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCOCCN(C)C 1519428548 DJPBEDHZFMFGAX-ROUUACIJSA-N 406.531 1.320 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C(=O)COc3cc(Br)ccc32)nn1C 1530306473 JUSDCIDCINJBHR-UHFFFAOYSA-N 404.224 1.727 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H](COC3CCC3)C(=O)OC)cc2C1=O 1535210891 VORYQYKFYQEZBJ-KRWDZBQOSA-N 400.431 1.651 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1538308761 SFHPMGDCTPZTKS-UWJYYQICSA-N 409.467 1.949 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(=O)(=O)CC 1539165566 FRIMISAQDYCAOK-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCN(C)C1 1539659337 SIWQFPUBXCNGBB-OAQYLSRUSA-N 423.525 1.390 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)N(C)C)CC1 1539848273 SAVOUQCXAPEXCP-UHFFFAOYSA-N 422.511 1.054 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)CCOC 1540072527 LYEILGHXSCIJAQ-NRFANRHFSA-N 415.542 1.862 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCO[C@H](C)C1 1540869673 UGNAOWNXJWYXEE-CQSZACIVSA-N 423.477 1.511 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@@](O)(Cc2cccc(Cl)c2)C1 1540872492 QYQLLPPBYIKABM-HXUWFJFHSA-N 403.914 1.980 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)C1 1540891177 QKJHIPVZNJHKGV-SJORKVTESA-N 418.542 1.121 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CCO1 1541079591 KPGROXSMPUVUPI-LJQANCHMSA-N 421.461 1.118 30 10 HDEE CC(C)(O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541245288 GXECBNPPZFDWRY-QGZVFWFLSA-N 411.510 1.536 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1541247639 HENWIWQMHTZWQL-GOSISDBHSA-N 407.478 1.690 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)s1 1544967989 RVVLZDBEMSQSLQ-CYBMUJFWSA-N 414.549 1.945 30 10 HDEE CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1556678689 ODTLJIAWINTFSR-HNNXBMFYSA-N 409.446 1.766 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)c2ccccc2C(F)(F)F)CC1 1558073601 WMKDMTCRMJQTFR-BUHFOSPRSA-N 415.437 1.721 30 10 HDEE CCON(C)C(=O)CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1565023233 DVDQSVZODMYDOL-UHFFFAOYSA-N 411.466 1.190 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CN(C)CCN1C 1586538341 GAEBGWQVQLKGHS-SCLBCKFNSA-N 420.355 1.507 30 10 HDEE C#CCCN(CCOC)C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1586965480 GYMCSGBJJIONRC-LBPRGKRZSA-N 407.264 1.932 30 10 HDEE N#CCCN1CCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CC1 1587541539 FXMZNNIUYXXDGB-UHFFFAOYSA-N 422.526 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1587652377 YEIUZZCCQPULAP-MRXNPFEDSA-N 424.530 1.612 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1588060066 YTIQOCAGGRUFOV-HZPDHXFCSA-N 412.556 1.155 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1588262917 MLPHRQGRNQPQPJ-GOSISDBHSA-N 402.543 1.475 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1589060645 VSEXNYLIEVVGPH-OAHLLOKOSA-N 400.570 1.409 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1596383648 BKFQHGCQVKRGQU-FRFSOERESA-N 412.446 1.421 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCC(=O)N(C)C)CCOC1 1596791378 QZIFEYLOEMEXFE-JXFKEZNVSA-N 406.531 1.783 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@H](c4ccnn4C)C3)ccc2c1=O 1598154387 BJNUWNBLZGXPAL-KRWDZBQOSA-N 411.487 1.818 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CCO2)cc1 1598186013 QMSRLNYVZRCRBK-GOSISDBHSA-N 413.455 1.031 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1611319439 GSZVRGZQAPGUET-GUXCAODWSA-N 402.499 1.477 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)c1ccccn1 1611466425 HXGRHLHRWNLYFG-UHFFFAOYSA-N 416.459 1.281 30 10 HDEE CCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)o1 1613856829 BCWUJNUGQRNRGU-OAHLLOKOSA-N 415.498 1.832 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1617105676 QUQWHPQBDHRZGR-UHFFFAOYSA-N 408.296 1.959 30 10 HDEE CN(C)CCOCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1617703004 PPERKQVNQRZMDD-MRXNPFEDSA-N 418.473 1.303 30 10 HDEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619618121 BKAHKRYTYXSLBJ-CQSZACIVSA-N 410.413 1.255 30 10 HDEE C=C[C@@H](CC)CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623707865 OCTHGDNDQRZTAU-KRWDZBQOSA-N 422.551 1.353 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1624172156 QNXICDRSFVJMQT-QWHCGFSZSA-N 409.936 1.563 30 10 HDEE COc1cc(NC(=O)Cc2cccs2)c(C(=O)N[C@H]2CCN(O)C2=O)cc1OC 1624906590 OAVPVGBIFAGYIG-ZDUSSCGKSA-N 419.459 1.666 30 10 HDEE C=CCN(C(=O)CCN1C(=O)CCNC1=S)[C@@H](Cc1ccccc1)C(=O)OCC 1625224464 KSKAJSZLIVNSFC-KRWDZBQOSA-N 417.531 1.672 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@H]1CNC(=O)C1 1625643083 GBIYDKOAFAWOQW-LLVKDONJSA-N 410.268 1.741 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)C(=O)OC 1626208137 JVBXKPSTGRBBRK-HNNXBMFYSA-N 405.451 1.853 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1627307094 QDAVRFKSTOEAMH-MRXNPFEDSA-N 406.527 1.215 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1627709041 HQIWCNXGUJLOKR-HIFRSBDPSA-N 419.482 1.505 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C(=O)OC)CCC3)cc1 1630553675 ZTTWOWZAPCGQPJ-UHFFFAOYSA-N 404.448 1.333 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(OC)ccc2OC)c1 1631305600 HFHPMPJGYOXYIW-IBGZPJMESA-N 417.483 1.964 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O)C1CCOCC1 1632739806 RUVGDQHQNZHKOB-HUUCEWRRSA-N 405.476 1.368 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1633140472 CWZWRTAPFKEHJQ-SFHVURJKSA-N 402.516 1.977 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@@H](CCCC#N)c1ccccc1 1635654940 DRPDFIOBTYEXRX-HNNXBMFYSA-N 400.526 1.778 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](CO)c2ccc(F)cc2)ccc1F 1638039428 DXBPQOGAPFEYCW-HNNXBMFYSA-N 410.442 1.935 30 10 HDEE C[S@@](=O)c1ccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639054630 TYCUHCNLQNAZLC-MUUNZHRXSA-N 400.456 1.871 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@@H]3COCC[C@@H]32)C1 1639369948 SAHXRFIXHHPEFE-DLBZAZTESA-N 406.280 1.773 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(Br)cn2)c(=O)n1C1CC1 1641346976 GZFYJJSBLYGEJJ-UHFFFAOYSA-N 404.224 1.321 30 10 HDEE C[C@H](CC(=O)N[C@@H]1C[C@H](N(C)C)C12CCC2)/N=C1/NS(=O)(=O)c2ccccc21 1641448683 JMLAQLUNYAWNNC-XYPHTWIQSA-N 404.536 1.493 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)Nc1cccc(CC#N)n1 1643507664 YEJKWAIUQCBUNT-UHFFFAOYSA-N 415.519 1.938 30 10 HDEE C#C[C@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1643570473 ANIMRGBUXVWVOX-NRFANRHFSA-N 411.527 1.792 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1644616054 AXALXFPCDWMSBE-JUXOCIIHSA-N 414.481 1.562 30 10 HDEE C#CC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1646157117 CWURHVXJCQTONB-SFHVURJKSA-N 407.829 1.233 30 10 HDEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O)C1CSC1 1647549573 RSWCNIOKFZHDEB-FQEVSTJZSA-N 400.504 1.012 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 1648783391 UEUQIMJKYLTSTM-IBGZPJMESA-N 417.443 1.144 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(N[C@H](C)C(C)C)c2C)CC1 1650846324 RMCNVVCHWAUSFG-QGZVFWFLSA-N 406.552 1.677 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(F)F)CC2)CC1 1654471871 FGAZJLUMFLJDHK-ZWKOTPCHSA-N 410.440 1.891 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCc2c(CC(N)=O)cccc2C1 1654488768 HOAYRQCFHPRGGV-UHFFFAOYSA-N 414.469 1.769 30 10 HDEE C#CCC1(NCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CCCCC1 1655686449 BGHWQZVOKZZOIS-OAQYLSRUSA-N 412.490 1.809 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CNC1(c2ncccn2)CCOCC1 1660294658 IBRSSEKWKLATPS-UHFFFAOYSA-N 403.446 1.768 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(F)c(Br)cc1C 1661051851 UNUZVGWEZQQYQK-UHFFFAOYSA-N 400.291 1.776 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1 1674025247 BFDVEMFDJRPZMT-INIZCTEOSA-N 407.312 1.539 30 10 HDEE C=CCc1cc(CNC(=O)NCCS(=O)(=O)N2CCCC2)cc(OC)c1OC 1676274960 KDXMVUXFTYGBGU-UHFFFAOYSA-N 411.524 1.657 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC2(C#N)CC2)C1 1681908730 XQOVADMQTARXMB-ZDUSSCGKSA-N 400.501 1.014 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 1682954187 ZYAVUYZTMLKFRE-GOSISDBHSA-N 414.485 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1689999422 AMTYEXORXXSOAD-UHFFFAOYSA-N 419.489 1.401 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690020096 YQKULZUTRQGGRP-LJQANCHMSA-N 412.582 1.882 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690021510 YIGMJCJHHUFGIJ-LJQANCHMSA-N 423.492 1.576 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2OC)CC1 1690109406 QFNGYLZGSBFDOD-UHFFFAOYSA-N 422.533 1.635 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1690136244 CFXADCSWFSQPPR-AVRDEDQJSA-N 415.538 1.705 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690642184 ADILBSPXRAFTJD-INIZCTEOSA-N 415.498 1.763 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](COC(C)C)C1 1690667919 MPIADWGFJHWHOQ-KRWDZBQOSA-N 400.483 1.273 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690669658 LKRRXOIVTPPZSD-KRWDZBQOSA-N 402.543 1.396 30 10 HDEE CN(C)C(=O)CCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696581507 TZULHICIYHHNGT-UHFFFAOYSA-N 408.510 1.617 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C2CC2)CCO1 1698492651 DWVRYPRDYZJDFV-CQSZACIVSA-N 418.860 1.993 30 10 HDEE CC(C)(C)C#CC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1702926370 UKQUFNYIZGDDRX-GADBESIXSA-N 402.413 1.630 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCn1cc(CO)nn1 1705498528 XOHVVAQTYIWJPK-ZDUSSCGKSA-N 400.512 1.266 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705563112 QWPYNRMTHVYPDH-QGZVFWFLSA-N 419.551 1.813 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1705569427 HDYGLGNIRAKMOB-OALUTQOASA-N 421.611 1.834 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC(C)CC1 1705600492 ALUBKZOMZRFBDW-FQEVSTJZSA-N 410.566 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(NC(C)=O)nc2)CC1 1705643994 FCGDHDRWMCNRAB-UHFFFAOYSA-N 423.521 1.769 30 10 HDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1705738675 GZDWUHKWDZRJRS-UHFFFAOYSA-N 408.499 1.836 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1705800486 YOVNHWFINCQXKB-HOCLYGCPSA-N 412.560 1.350 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1705819799 URSOIGNZNNOMPP-BBWFWOEESA-N 409.556 1.956 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1705833986 BFKPMNSWCWWMQG-CYBMUJFWSA-N 411.503 1.844 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705901445 LUEDTSINHOIDON-BBRMVZONSA-N 400.458 1.868 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705902256 AGPOWNZNSRAUES-MRXNPFEDSA-N 412.494 1.468 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1706749123 PKGQPWIVYYZGDN-CYBMUJFWSA-N 401.471 1.613 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(CC)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1710481997 YVWVAVIULDPCLQ-IERDGZPVSA-N 414.510 1.974 30 10 HDEE COCCn1cc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)cn1 1712465818 BTYMCENEGYWXMR-HXUWFJFHSA-N 421.505 1.683 30 10 HDEE CS(=O)(=O)NCC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1712709563 RDDBMORBAWNYEA-UHFFFAOYSA-N 418.523 1.509 30 10 HDEE CC(C)(C)C#CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1719893018 HBECKEUUSQMREC-QUEVPRLRSA-N 402.413 1.630 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1722274128 CKBDQWBNCATCKU-MRXNPFEDSA-N 410.526 1.533 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1722294726 HQXASAKQMDPQSV-ZIAGYGMSSA-N 405.524 1.972 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1722298016 SUCNQUFXXCTVMM-GOSISDBHSA-N 421.549 1.821 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722371101 HBVGWIUTVMRDRB-MJGOQNOKSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCCS1 1722390108 OISARTDSPRBJFI-QAPCUYQASA-N 409.581 1.637 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCn2cncn2)CC1 1722442312 VAMDXHXIEFCCEL-QZTJIDSGSA-N 412.542 1.244 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722526109 NZOQKTNONJAQAP-GHTZIAJQSA-N 416.526 1.997 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1722604062 SZSXSTGPSFRKAM-LPHOPBHVSA-N 410.540 1.532 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(N2CCCCC2=O)CC1 1722706631 VWUHLBNBSQBWGM-UHFFFAOYSA-N 404.515 1.098 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1723778647 HPFDNHQJJFKBOY-CHWSQXEVSA-N 405.471 1.590 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1727870320 UMODNPHZTQTBAZ-WRFKIARRSA-N 410.478 1.646 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)c1 1730023217 SETVTBJBWQJRIJ-SFHVURJKSA-N 414.466 1.217 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC[C@H]1C 1730406746 NQDUHCBAVQNSIQ-BEFAXECRSA-N 422.493 1.767 30 10 HDEE COCCn1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cn1 1730771526 AJEOPBNQZDGOMS-IAGOWNOFSA-N 401.471 1.140 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1740540497 WCELQBIZVSOUIC-CYBMUJFWSA-N 413.507 1.476 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@H](C)C1 1740610006 XAJDANNIWORTHN-MRXNPFEDSA-N 414.510 1.576 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCO2)CC1 1740825235 KQZZHWYUYIHHCE-SJORKVTESA-N 423.539 1.113 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740957530 QZWBTTJHWYEKCN-MRXNPFEDSA-N 411.510 1.177 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740962824 PWFYRABCCUFXCQ-FOIQADDNSA-N 417.535 1.617 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1741127439 BVOGQHQEAROHTI-KGLIPLIRSA-N 417.491 1.704 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1743629569 SYIYLPJMHXWUBU-RGVZUYQNSA-N 415.498 1.020 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1744084411 DOOMDGZLTITKCY-ZDUSSCGKSA-N 413.482 1.376 30 10 HDEE CO[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748383908 GARYULYGMOVVME-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1748667762 ZQQMYTQKJNNNHR-SNRMKQJTSA-N 410.522 1.999 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1748686132 JMYRHYFJUIADLD-MRUHUIDDSA-N 400.479 1.864 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCN(CC)CC1 1748793583 MBWUOWYONJWTKL-LJQANCHMSA-N 420.565 1.612 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1748923205 YKMWHLXZZYWCJJ-UHFFFAOYSA-N 421.523 1.680 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1748931421 XTMZGXIQKOEABM-KRWDZBQOSA-N 405.506 1.891 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2cnn(C)c2)CC1 1748999462 WWQXJOJCINYWNA-UHFFFAOYSA-N 419.533 1.957 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1748999468 XAMZEVOEBARMSW-QHCPKHFHSA-N 422.533 1.399 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1749038084 OFJRVUFXIUAOES-MWDXBVQZSA-N 424.592 1.265 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(CC)CC1 1749064099 MFRUVKZCTRXLJA-XMSQKQJNSA-N 408.554 1.753 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749096131 HGJNWLYWOYPGNO-NSHDSACASA-N 417.333 1.457 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1749251468 FTHVOKVYAFNJMQ-CQSZACIVSA-N 418.995 1.951 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)C1 1749697144 HVIUOYVJSNEZAM-NQIIRXRSSA-N 416.526 1.976 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCOCC2)C1 1750379952 YMPZYFZTNHGDQK-NRFANRHFSA-N 413.501 1.818 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1751285799 ZXPBYJCCJAPMOY-MRXNPFEDSA-N 407.478 1.058 30 10 HDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCCNS(C)(=O)=O 1751918401 RRCNHZCAVLDNLG-IBGZPJMESA-N 416.551 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)CC 1760106999 JEJYEFUGTLLQRB-HNNXBMFYSA-N 412.519 1.891 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1760219805 ONQKJMWPVFUHIL-DLBZAZTESA-N 406.577 1.786 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CCCO1 1760246392 XFQLKMUAHNHGBW-OAQYLSRUSA-N 422.493 1.576 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760438623 KXHNXWUQWWTPQC-KRWDZBQOSA-N 417.558 1.186 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1760489203 PKPGEGHKYZIHKX-CVEARBPZSA-N 409.556 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1760551070 SJKVLEGZRLWXER-UHFFFAOYSA-N 403.508 1.349 30 10 HDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1761171067 IAHWKXNNHPADQB-KRWDZBQOSA-N 411.510 1.381 30 10 HDEE C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1761403127 FYKFQVHXIAXRCK-INIZCTEOSA-N 418.509 1.278 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1764697329 PIXDEGYRJHCMOT-UHFFFAOYSA-N 421.461 1.758 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1766779994 FARCHKPQVOPAAY-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1768444857 HAPPVEXFUVKTAO-UHFFFAOYSA-N 417.473 1.958 30 10 HDEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cc1 1768682756 AINVMSSBPFZBHZ-IBGZPJMESA-N 407.478 1.925 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769107376 REHUVGCZRAHKIN-WBVHZDCISA-N 415.542 1.121 30 10 HDEE CO[C@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CCOC1 1769770270 NRNJVXAPNMEVFP-YJYMSZOUSA-N 402.455 1.407 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1769775993 GDLCKAANBCSAJK-XLIONFOSSA-N 412.538 1.992 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCS(=O)(=O)CC2)C1 1770727120 CCYLWYXIKPPBGH-MAUKXSAKSA-N 411.503 1.786 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1770874187 DXBGWFJNJRKDDW-UHFFFAOYSA-N 421.461 1.668 30 10 HDEE COCCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1771042757 UKJKDOPSCCFCDT-KRWDZBQOSA-N 419.555 1.331 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1771129043 DMGICRHYQQPKAE-IAGOWNOFSA-N 416.526 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCNS(C)(=O)=O 1772516323 SFUUORCXARVXID-UHFFFAOYSA-N 415.519 1.178 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(C)C)[C@@H]1CCN(C)C1=O 1849206123 YXFUGNPTKNCJQZ-SJORKVTESA-N 411.499 1.374 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)[C@@H]1CCN(C)C1=O 1849206319 WAYJFZJVBRPHEV-IAGOWNOFSA-N 409.483 1.224 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)[C@H]1CCN(C)C1=O 1849512643 HDOYHWIWWYXKRX-DLBZAZTESA-N 409.483 1.224 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc1 1853585854 HWRBMDKJXIYRLQ-WBVHZDCISA-N 410.474 1.530 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)c1 1853904182 NSDIOJSSAXIWKF-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN(C)[C@@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1853996698 APCCGAHUVWENAG-MAUKXSAKSA-N 403.504 1.364 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2=O)cc1C#N 1854009675 FFQOAUCAOWIMJW-UHFFFAOYSA-N 419.409 1.818 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCC(F)(F)C3)C(=O)C2)cc1 1854032942 QEQSRBFONFQVMY-AWEZNQCLSA-N 411.430 1.743 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC(Oc4ncccn4)CC3)CC2=O)cc1 1854421214 JRYOJXXTUXLKHY-QGZVFWFLSA-N 405.458 1.880 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O)[C@@H]1CCOC1 1854515712 CQIKMBCYTYSESL-GOEBONIOSA-N 419.503 1.369 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)Cn3cnc(C4CC4)cc3=O)C1=O)CC2 1855176382 KMFWUOBTNHRLQI-FUHWJXTLSA-N 409.490 1.264 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1855605945 JTMVMJSMSPAATK-MJGOQNOKSA-N 400.523 1.921 30 10 HDEE C=CCCC(=O)N1CCCC[C@H](N2CCC[C@H](n3ccc(=O)n(C)c3=O)C2)C1=O 1855627211 YAGVZYUPAAYJTN-IRXDYDNUSA-N 402.495 1.058 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1856458217 FMLMYCBHMQIDLF-IRXDYDNUSA-N 411.849 1.896 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4ccncc4)CC3)CC2=O)CC1=O 1856820771 VHCZPHIZBAATOT-WOJBJXKFSA-N 410.518 1.703 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C)n(CC)n2)C1)[C@H]1CCN(C)C1=O 1857079654 FNOZULOSTURXTE-WMZOPIPTSA-N 401.511 1.309 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1F 1857105626 CUUOWTAATFQKJB-CYBMUJFWSA-N 416.434 1.295 30 10 HDEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCCC1 1869928332 USRIKFWBZBOMEM-GOSISDBHSA-N 406.552 1.742 30 10 HDEE CCCCCCCOc1cn(CCNC(C)=O)c(CN(CCO)CCO)cc1=O 1870414725 XUOYFVDCGKWLCR-UHFFFAOYSA-N 411.543 1.120 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl 1890514632 WEBOFYWFVNVNCQ-HNNXBMFYSA-N 418.346 1.828 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)CC2)nn1 1891197502 HSDOMZSHPTYCDW-KRWDZBQOSA-N 407.478 1.733 30 10 HDEE C=CC1(NS(=O)(=O)c2c(Br)nnn2C)CN(C(=O)OC(C)(C)C)C1 2019458905 ZTAJWTOPJBHJRJ-UHFFFAOYSA-N 422.305 1.031 30 10 HDEE C=CCn1ncc(N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043988993 CCRIMLCLUKWUOX-NEPJUHHUSA-N 415.288 1.896 30 10 HDEE COC[C@H](C)NC(=NC[C@H]1OCCOC1(C)C)N1CCN(c2cc(C)ccn2)CC1 2087917815 GFTVPQOTYZYGKS-RBUKOAKNSA-N 419.570 1.687 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118154945 PNCJLIKHLMFIJV-SHZVTRLKSA-N 408.546 1.574 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2118170692 RZIFXMZJWZAQJM-IZEVZFMRSA-N 406.530 1.089 30 10 HDEE Cc1c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c(Br)nn1C 2188138961 UNTQTKALGRQUBI-UHFFFAOYSA-N 422.092 1.833 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1 2188810611 ZHSANVKNUPASBX-ZYHUDNBSSA-N 415.493 1.751 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243394582 JWOQSXTUIWOVCB-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2243407291 PCNPZQLFLUCUCV-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE CC1(C)OB(c2cccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2)OC1(C)C 2255694918 VXDUPGTUDFOFKF-UHFFFAOYSA-N 422.334 1.963 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@]4(N)C3)cc2Cl)OC1(C)C 2267706858 GZOSLHYHKXVDQE-PSLIRLAXSA-N 404.750 1.422 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282015195 VSXGUGLPKPOXDG-LLVKDONJSA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCS(=O)(=O)C(C)(C)C)cs2)OC1(C)C 2282195985 UEXORJDFXLBEBC-UHFFFAOYSA-N 401.359 1.990 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282196016 USJCBQHODONBOP-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CN[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314534 AWFIDDKQTLOVJG-OLZOCXBDSA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282318327 ZUHXZGURMHAMSP-CHWSQXEVSA-N 401.359 1.605 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1[C@H](C)O 2282413534 GGUBERQOUIEWSG-AAEUAGOBSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@H](CO)C2)OC1(C)C 2282492591 PMSOMYWVANAPPQ-LBPRGKRZSA-N 401.721 1.642 30 10 HDEE CCN1CCC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498940 LLIVKDQTBJDJKH-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2O3)OC1(C)C 2282507977 OZBUFXMJMXKUGP-NTZNESFSSA-N 400.331 1.182 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]1(C)CCS(=O)(=O)C1 2282585685 OMWHJVUMLRNQOR-MRXNPFEDSA-N 400.331 1.058 30 10 HDEE Cc1cc(S(=O)(=O)NC2CC(F)(CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282828405 NTJAJSOGEWHHBI-UHFFFAOYSA-N 404.338 1.463 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)C1CNC1 2282836482 KQMRMADTBZCYMF-LLVKDONJSA-N 400.375 1.584 30 10 HDEE CCN[C@H]1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282838594 QZAURFSGJZEUHE-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CC[C@H]3[C@H]4N)cc2Cl)OC1(C)C 2282840021 CGSZNDVTMWUTEA-CDMKHQONSA-N 418.777 1.811 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282841026 RMNZUGPTFGWEFU-OLZOCXBDSA-N 419.399 1.597 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2c[nH]c(=N)s2)OC1(C)C 2282843425 NGFKKFWSDZJYKV-UHFFFAOYSA-N 415.371 1.536 30 10 HDEE CN1CCC(N(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282853662 GZTMVXMNPYXKQS-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CCN[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282867240 VVUYGZMMAHIIQA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CN([C@H]1CCCCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282871258 DGYNWAWXBXGPGO-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccn1 2327876486 LGUKZUCINPGRBQ-ZDUSSCGKSA-N 416.507 1.935 30 10 HDEE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C[C@H]1C#N 2338907195 WSHHKTFJFOAAGA-MRXNPFEDSA-N 418.519 1.312 30 10 HDEE C#CCNC(=O)CN[C@@]1(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2351389872 RCCFDECEYQCAJQ-UWJYYQICSA-N 401.463 1.216 30 10 HDEE CCO[C@@H]1CN(S(=O)(=O)C[C@@H](C#N)C(C)C)C[C@H]1CNC(=O)OC(C)(C)C 2355478732 ZYUGOQRGMPGPSE-BZUAXINKSA-N 403.545 1.974 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365245583 IQMZYDFRJANQKU-UGSOOPFHSA-N 403.497 1.588 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2367802324 ACNSZMXKCGTPEH-IIDMSEBBSA-N 400.541 1.475 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cn1 59830098 YLEVCVHVQAUSBI-UFFVCSGVSA-N 411.495 1.229 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)nc1 71555077 XDIHGEAQUCIYSF-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE COC(=O)c1cc(C)sc1NC(=O)C[C@@H]1S/C(=N\c2ncccn2)NC1=O 72435636 LFNNXHMUXBLAMO-JTQLQIEISA-N 405.461 1.881 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccco1 72472427 ONWJWLBDQGVPSX-WBMJQRKESA-N 419.397 1.970 30 10 HDEE C#CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@@H]1CCS(=O)(=O)C1 321930547 AVQDGKFPMGUBAI-SNVBAGLBSA-N 401.238 1.620 30 10 HDEE COc1cc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)ccc1C#N 427142925 GQSFIFHSLJCDGV-AUUYWEPGSA-N 417.487 1.219 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 430012051 OYYGPIJCHCBUAY-TWOQFEAHSA-N 408.520 1.950 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)[C@@H]3CCO[C@H]3C)c(C#N)c2N)cc1 442766060 VZCHZNOPZLAHEO-KBXCAEBGSA-N 403.508 1.664 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](CN2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 444240029 CAHIHASHLJOXJW-KRWDZBQOSA-N 413.547 1.900 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCn2c(=O)nc(O)c3ccccc32)cn1 461748452 KEUPZSYQJHQGKG-UHFFFAOYSA-N 401.386 1.583 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 461973879 XAZUPRZLMDZIJC-UHFFFAOYSA-N 408.398 1.719 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3cnccn3)CC2)c1 487337691 OBRHVQVJSWUHGE-UHFFFAOYSA-N 402.476 1.625 30 10 HDEE C=C(C)CN1CCC(NC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1 493779258 ANRFOCJLECKSKZ-SFHVURJKSA-N 406.552 1.789 30 10 HDEE Cc1nc([C@](C)(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C2CC2)no1 497535186 HJQZINVXLBTRRS-GOSISDBHSA-N 403.464 1.544 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 509012154 OYPNYDJIVXGEEB-UHFFFAOYSA-N 400.502 1.794 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCN2CCOC)cc1 518386174 OYXRCLYZGLVTSI-QGZVFWFLSA-N 410.540 1.725 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 538487842 AYMKAAUXPUDMKE-KRWDZBQOSA-N 419.894 1.405 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCCCN2CCCC2=O)cc1Br 577304981 IQRSQOQZPXNQFN-UHFFFAOYSA-N 404.261 1.751 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)nc1 586863508 PSDMKENFYSGWGE-QGZVFWFLSA-N 423.448 1.894 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 609969507 TULDRZNDLQRSBU-UHFFFAOYSA-N 423.429 1.677 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 732066653 VRXBVCYYTGNXPT-JFDDCEBESA-N 410.430 1.861 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1C1CC1 732649434 VMOMDJVWGLLQSM-AEFFLSMTSA-N 402.520 1.286 30 10 HDEE Cn1ccnc1CN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 733310741 URROPQYTZGQEJG-QGZVFWFLSA-N 401.474 1.775 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 734293437 VOCXFZQCVBTRGQ-YJYMSZOUSA-N 418.475 1.172 30 10 HDEE CN1CCC(=O)Nc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc21 760404730 IJFCFHHVHMAHBK-UHFFFAOYSA-N 404.492 1.999 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC1(CCOCc2ccccc2)CC1 760669594 FGPQMHIUNMEMCI-UHFFFAOYSA-N 413.499 1.981 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767884834 NGFSMAKOHZUTAM-UHFFFAOYSA-N 406.492 1.955 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)cc1 768070846 HGJSBPZGDBFAFW-QGZVFWFLSA-N 415.519 1.039 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@H]1CCCO1 773792556 DUDFEJDECYSWMD-ZIAGYGMSSA-N 409.236 1.471 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N(CCC(C)(C)O)C1=O 774252014 NMWXWJKSXVXEKK-MRXNPFEDSA-N 424.542 1.986 30 10 HDEE Cc1nc([C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)sc1C(=O)O 779441342 WBLLOYIWWSHFMM-SECBINFHSA-N 408.461 1.066 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 781647774 AEJREJFTLYEZLL-AWEZNQCLSA-N 415.540 1.808 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)N3CCC4(CC3)OCCO4)c2c1 784701685 MGALBQPBLRXJGV-UHFFFAOYSA-N 413.430 1.868 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)CN(/C=C/c3ccccc3)C2=O)n1 788364828 ABSYWXQQRAXGPR-FMIVXFBMSA-N 407.474 1.857 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796416751 MTKYLLLXVNLGSM-APWZRJJASA-N 402.495 1.852 30 10 HDEE C=CCN1CC[C@H](OC(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)C1=O 798655079 XFABRMCSNRMKNH-UYTSQGDYSA-N 406.479 1.779 30 10 HDEE N#CC1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 799387662 MMYQUINJJINAEB-UHFFFAOYSA-N 409.483 1.906 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(C)=O)CC1 802578366 URGYVNKBRNNUAK-UHFFFAOYSA-N 412.494 1.949 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCCO1 812306507 SXFASXBWYSZVTO-QGZVFWFLSA-N 417.535 1.834 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 813661867 DLQCSTYFFZWQDX-UHFFFAOYSA-N 423.539 1.435 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccccc1SCc1nnnn1-c1ccccc1 820185315 MOXLHCLACHVXBF-OAHLLOKOSA-N 410.459 1.675 30 10 HDEE CNS(=O)(=O)c1ccc(C(C)=NNC(=S)NCc2ccc(OC)cc2)cc1 916283094 KCQRGHNPLPGJFQ-UHFFFAOYSA-N 406.533 1.992 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)N2CCCC2)C1 916869846 VJACZAXSVXLIIS-LSDHHAIUSA-N 408.480 1.023 30 10 HDEE CCCn1c(=C(C#N)C#N)sc(=Cc2cc3c(cc2OCCOC)OCO3)c1=O 920773701 WPJOAFJVVUUADI-UHFFFAOYSA-N 413.455 1.100 30 10 HDEE Nn1c(NN=Cc2ccc(O)cc2)nnc1SCC(=O)NCc1ccc(F)cc1 1084012119 VNUYQPSXDZUZSZ-UHFFFAOYSA-N 415.454 1.691 30 10 HDEE O=[N+]([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NN=Cc2ccccc2F)c1 1084015983 BLQIASVWGAIPKP-UHFFFAOYSA-N 408.411 1.883 30 10 HDEE N#CC1=c2oc(=O)c(=Cc3ccccc3F)n2-c2oc(N)nc2[C@@H]1c1ccccc1F 1084272602 HIBZOYPQPKNEGC-QGZVFWFLSA-N 418.359 1.927 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)Cc3ccc(C#N)nc3)cn2)CC1 1128056582 IEAZXCPCDFPGFS-UHFFFAOYSA-N 423.477 1.982 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 1130928333 CQIIAEALEKCLRX-UHFFFAOYSA-N 418.280 1.782 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)C1 1131605841 MOUJRCUMXDHTAQ-QWHCGFSZSA-N 405.476 1.821 30 10 HDEE CCOC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)on1 1136281419 DRBKVDFBJVZWEK-LTGZKZEYSA-N 420.447 1.916 30 10 HDEE N#C[C@]1(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2C1 1138308837 GFWGOKRIERUNMG-IBGZPJMESA-N 401.513 1.994 30 10 HDEE C#CCN1CCC(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)CC1 1138394747 DNQFOUJFVXDTJC-UHFFFAOYSA-N 405.520 1.214 30 10 HDEE CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)NC(=O)OC(C)(C)C 1141189933 PUFCYMYZJABKEV-HNNXBMFYSA-N 424.523 1.912 30 10 HDEE C=CCn1cc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)nn1 1142655516 GZNWZNLFAHQFHD-UHFFFAOYSA-N 417.535 1.718 30 10 HDEE Cc1n[nH]cc1CN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1142905535 IEAIIBHWYPTHDB-UHFFFAOYSA-N 401.492 1.649 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@H]4NC(=O)NC4=O)cc3)cc2C1=O 1149229383 PTNJUUMTEPMNAU-MRXNPFEDSA-N 404.382 1.601 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1149909159 SBTUOERNFRPBTL-MSOLQXFVSA-N 409.527 1.243 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)c1 1151420432 YZMQKVWGIACLNY-UHFFFAOYSA-N 410.495 1.710 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1158159284 ZWKVSLFDJUQSAI-YUELXQCFSA-N 417.491 1.623 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CO)(NC(C)C)CC2)ccc1F 1158790162 XOOQWIVBQCCMLP-UHFFFAOYSA-N 413.515 1.255 30 10 HDEE CC(C)c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1 1180999801 GVRSJNPSPXCRPP-UHFFFAOYSA-N 404.430 1.827 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CC(O)(CC#N)C1 1193713275 FUSLKHMCRFQWCI-UHFFFAOYSA-N 406.508 1.069 30 10 HDEE COC(=O)C1(C#N)CCN([C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 1194385850 UDUZWINAJFKSSR-MRXNPFEDSA-N 400.479 1.629 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1 1215662329 XZPRSTRXVHVEOM-HOTGVXAUSA-N 405.524 1.339 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1228508185 UXFWSPZZVJDGKJ-CABCVRRESA-N 401.435 1.324 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCC1(COC)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1281528784 LRQQOLZGYPDVTB-GCNBINEPSA-N 418.534 1.372 30 10 HDEE C#CCN(C(=O)[C@H](C)CCCOC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1286054034 GPTYKELORYCRHF-RTJUMIHMSA-N 402.535 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1286275670 TZRYUDVDSZAATO-HZPDHXFCSA-N 410.478 1.927 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286395047 QJVBKQOEZNIOHG-CQSZACIVSA-N 424.473 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2(C)COC2)n1 1286471349 LIZYGTFRMUSSQE-UHFFFAOYSA-N 409.494 1.792 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1286477355 YIIWEAJKCXUVAT-INIZCTEOSA-N 421.471 1.913 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286495543 YTBNVGFUXQSFEY-HXUWFJFHSA-N 418.567 1.422 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCNC2=O)CC1 1286513697 XIOHRQXEUYRCJB-QGZVFWFLSA-N 418.567 1.880 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NC)C1 1286804791 OIAHQDGMSXPLBS-HRAATJIYSA-N 421.542 1.484 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)c3ccccc3OCC#N)nn2)C1 1288655639 XHXZJFMKZFVPEO-UHFFFAOYSA-N 412.450 1.902 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)cc1 1291849828 LHFABQBTNHVWLA-OAHLLOKOSA-N 405.451 1.997 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC 1297029044 BGMBWVHVIDIHJU-LBPRGKRZSA-N 401.213 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1300313424 HQXYAGBFQPNHHK-DJJJIMSYSA-N 424.473 1.155 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1300455240 HCBGMZZCULDJHZ-UHFFFAOYSA-N 402.462 1.467 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300482227 DJBPVQIWOGHDDI-ZIAGYGMSSA-N 416.494 1.627 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300532205 RAXUPBHUOJWDSU-FQEVSTJZSA-N 410.566 1.951 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nnc(C)s2)CC1 1300696032 RKNFJNYEXHGQLG-UHFFFAOYSA-N 408.535 1.806 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1300768250 OINKNGWNGOKHSP-UHFFFAOYSA-N 404.584 1.734 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300944252 SBVJVSOIXYSHDO-APWZRJJASA-N 410.526 1.300 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CCC(=O)N1CCOCC1 1301421104 OYQARWBFDFEEJG-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301496837 IBYPPNREQLQYPY-QGZVFWFLSA-N 420.521 1.753 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1301497098 OGANSGPPWDMAPA-UHFFFAOYSA-N 420.433 1.508 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)cc1 1301518261 HRBQUYPSNNZHDO-IBGZPJMESA-N 424.505 1.966 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CCO1 1303005481 ZZIHLMCBWWZMEH-KGLIPLIRSA-N 422.898 1.006 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1303644429 JQZFJXAQEWKLMY-CRAIPNDOSA-N 412.494 1.712 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1304193991 NNKYZNPUXQKHPR-LJQANCHMSA-N 415.471 1.728 30 10 HDEE Cn1nccc1[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 1308111910 BAWHICIYOXCRIU-SFHVURJKSA-N 406.408 1.980 30 10 HDEE C=CC[C@H]1CCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1308140464 LFCZODXKTODBCJ-IBGZPJMESA-N 407.536 1.921 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1309543854 RKQHGQYFSYNYIK-QFIPXVFZSA-N 422.370 1.695 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 1312280567 FWIRCLMRGMQPFU-WMZOPIPTSA-N 403.552 1.829 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1315814642 WVJKWYWEJHLSKF-INIZCTEOSA-N 421.498 1.815 30 10 HDEE COCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1316263313 GZOPPWAPPHDXCI-GOSISDBHSA-N 404.402 1.958 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)OC 1316293998 NNJJECFCFPGQSU-ATLSCFEFSA-N 404.515 1.214 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)c1 1353794908 RLUZBEBEGXVTRB-UHFFFAOYSA-N 409.445 1.146 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1358889573 DJGUEMVNLOPMPU-ZFWWWQNUSA-N 419.507 1.099 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCS(=O)(=O)C2)c1 1358902901 DLVJMVHXYHBMOR-INIZCTEOSA-N 415.519 1.331 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1358938636 GTTCCCOCIGVCHS-OAHLLOKOSA-N 407.544 1.311 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCCC 1358971383 SISLPSALVKSIED-UHFFFAOYSA-N 417.311 1.645 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nc(C)cs1 1359027687 RZLYTMPGNCSNDR-RDJZCZTQSA-N 405.524 1.901 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)COC(=O)N2 1359057273 WEHBDXSZMROGNE-HNNXBMFYSA-N 405.524 1.965 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)C 1359090300 YLLZHLGDXNVQQF-RDJZCZTQSA-N 406.531 1.358 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359297065 DEBOAKXNVADTJC-CQSZACIVSA-N 421.498 1.400 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1359297152 HFSMJLYEZMNPRU-UHFFFAOYSA-N 409.494 1.234 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1359298830 MWLPHZMHMQPVEQ-XHSDSOJGSA-N 404.515 1.173 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1440680667 IZAWZOOKXTVONP-SFHVURJKSA-N 404.430 1.289 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnc4n3CCC4)C2)C1 1440898343 FNTYNTXHEGBOAU-DMAKZNTKSA-N 400.483 1.627 30 10 HDEE C=CCN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1442037547 XQHQLBLHQPVFIF-CQSZACIVSA-N 404.504 1.927 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1446693787 DAFCFLSLIWPBGW-GFOMBABLSA-N 406.504 1.387 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnc(C(F)(F)F)nc2)c1 1453347374 KBRLBKRWTDEXLF-UHFFFAOYSA-N 402.329 1.862 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1453581196 FUNMETXFIKJCKF-UHFFFAOYSA-N 413.499 1.831 30 10 HDEE N#Cc1cc(Br)cc(COC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c1 1459674128 CWIYUDDNPQHIGN-LBPRGKRZSA-N 406.196 1.378 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)ccc1Cl 1460742112 IWHXKEZTVJMSBS-OAHLLOKOSA-N 412.943 1.766 30 10 HDEE COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1464536751 CCAXCXCOSYEYFZ-NSHDSACASA-N 405.295 1.600 30 10 HDEE O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1cccc(C#CCO)c1 1466134007 WQXXOFVXBNAAFT-UHFFFAOYSA-N 414.468 1.935 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@]1(O)CCOC1 1466146637 MXFSXJMYNCXYJX-UWJYYQICSA-N 401.463 1.660 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)c1C#N 1466920932 BAPLAEKMRHVYKT-UHFFFAOYSA-N 400.870 1.332 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 1471518001 WPPBFLDFBPMSAM-HOCLYGCPSA-N 420.878 1.564 30 10 HDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@@H]1O 1473750630 DDMNCSGFADOPMD-SFHVURJKSA-N 416.478 1.612 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(F)c2OC)C1 1475667957 YCZYUCROMZBIAJ-LBPRGKRZSA-N 405.289 1.973 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1)C1CCOCC1 1479008864 XLDQLPVEAUDYSW-FQEVSTJZSA-N 404.555 1.439 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1 1507537403 LGKYATWGNYNJNX-UXHICEINSA-N 409.582 1.995 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccc(C)cc1 1507601716 UETVIOYHQVMYIR-INIZCTEOSA-N 405.524 1.735 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnn(CCOC)c2)CC1 1507731111 ATHLVDPERCAEFX-IBGZPJMESA-N 413.526 1.166 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507743978 MBHLTGYYVWDTFH-GJZGRUSLSA-N 416.555 1.690 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507832931 PTKHABYLHYBHBZ-MRXNPFEDSA-N 407.482 1.372 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507907103 QSYZCKINOCIEPQ-UHFFFAOYSA-N 418.523 1.077 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1508122160 HUHNCDAEZVMKRA-MSOLQXFVSA-N 412.494 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccoc1C 1508140743 QAUMDPNCSVEUFY-OAHLLOKOSA-N 407.496 1.368 30 10 HDEE CN(CCC(F)F)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517257602 DBIACBZXWLOCOA-VDMFXUGISA-N 424.452 1.790 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(C)c(C#N)cn2)cc1 1517277351 MLPHYRMPRIJCBM-UHFFFAOYSA-N 401.444 1.280 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1518963447 PGGOSGRYPLNNNL-JOCHJYFZSA-N 424.505 1.415 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1519325519 GLXXUJKFKNQABW-LPHOPBHVSA-N 414.510 1.845 30 10 HDEE N#CCc1ccc(OCc2cccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c2)cc1 1525810477 ODZZBSIWKDGOQQ-SFHVURJKSA-N 413.455 1.183 30 10 HDEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1532240143 XTZZXTAAOOZRRH-JKSUJKDBSA-N 405.520 1.968 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nnn(C(C)(C)C)n2)c1 1534106167 RISQLTQNMNMCQW-JWGURIENSA-N 419.511 1.422 30 10 HDEE C=CC(C)(C)CC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1535176951 FNOHCKGVGZFPTG-UHFFFAOYSA-N 418.537 1.510 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1538973758 PZJNUQBGWDDKJN-KBPBESRZSA-N 422.580 1.902 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1539002391 COAMBJALVWGPMV-HNNXBMFYSA-N 412.519 1.920 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1539115634 AIPYAMSLHBJSEG-IAGOWNOFSA-N 400.527 1.775 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCOC34CCOCC4)C2=O)cc1 1539316254 DACMFTKMPXPWBQ-DLBZAZTESA-N 412.446 1.218 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1539358425 FOPSNBJKLNTYPG-UHFFFAOYSA-N 400.508 1.446 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(C)COCCO2)CC1 1539454126 XCEKARJBLANRIH-JOCHJYFZSA-N 413.497 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)NC2CCCCC2)CC1 1539466871 IQGLJCRMNBPAOO-UHFFFAOYSA-N 414.554 1.816 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)c1 1539613728 GUPCKRGTANELLX-ZWKOTPCHSA-N 400.460 1.324 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(OCCOC)CC1 1540867708 DYNCIJXBQCSDKD-UHFFFAOYSA-N 402.499 1.218 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540869984 BTXVWWRLGQDQKR-MSOLQXFVSA-N 403.527 1.727 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1540872695 XTOOOFDCDFQPRQ-UHFFFAOYSA-N 419.489 1.301 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1540907608 CIPSUCKVGVFIDF-CQSZACIVSA-N 415.585 1.303 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1540912852 JTUVOROVXHPPHQ-UHFFFAOYSA-N 405.528 1.069 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1542797304 MXGOHXUUMJRTAN-KRWDZBQOSA-N 421.519 1.896 30 10 HDEE CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C1CC1 1554578785 BFFAUXJGSXNGRC-FZKQIMNGSA-N 410.544 1.443 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1555989763 FCPGQHVASHNQTF-AWEZNQCLSA-N 417.482 1.592 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1=O 1558464002 CDTCQRZODUCZKD-XUVXKRRUSA-N 424.549 1.689 30 10 HDEE COc1cc(OC)c(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1Cl 1559452853 CJHUFKZUTYZRIM-UHFFFAOYSA-N 418.837 1.834 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1564847697 RHWHICZRXRUFEP-KRWDZBQOSA-N 423.558 1.004 30 10 HDEE Cn1cnnc1N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1565005320 PRKFVEAMLXFLCL-UHFFFAOYSA-N 408.510 1.183 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1[C@@H](c2ccccc2)C1(F)F 1584005810 DUAJNJMBXUXNNR-RHSMWYFYSA-N 405.426 1.890 30 10 HDEE Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nc1O 1585534012 GKJGHLFOZYECAA-HNNXBMFYSA-N 404.268 1.911 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587766140 PEUMMVDDZSPBGO-INIZCTEOSA-N 409.556 1.494 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)(F)F 1587994619 LNMHAEYIWPWRCW-UHFFFAOYSA-N 401.339 1.895 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc(C)s1 1588173642 GPQRSJJDSATTHC-UHFFFAOYSA-N 420.502 1.791 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 1588199584 UZBYIVUCHBIBNU-UHFFFAOYSA-N 400.504 1.006 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1588224013 MNUPYYJUVBQKME-WWOZWPLTSA-N 423.542 1.619 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1589110760 ZGUGEUAASZYMCW-JXFKEZNVSA-N 419.551 1.151 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CC1 1589151039 QBSCKULSYYCUCE-CRAIPNDOSA-N 409.556 1.697 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1589163098 IBMYDNBODSYJMR-HXHBTQRASA-N 418.538 1.974 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1594942589 AJZLMVQRHZDQMY-HNNXBMFYSA-N 420.539 1.666 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1595466267 HSIBMRULYXWUOP-MRXNPFEDSA-N 400.527 1.833 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3ccnc32)C1 1595664798 KFQYAKBUPHGUIO-IAGOWNOFSA-N 413.526 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1595789590 XFJPLIWJRYGGNX-KHYOSLBOSA-N 410.540 1.529 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1598062058 CFBGSXNRLGRKGL-GOSISDBHSA-N 423.521 1.681 30 10 HDEE Cc1ccc(C(=O)NCC2(C)CCC3(CC2)OCCO3)cc1S(=O)(=O)NCC#N 1602840578 ZHPINFKEHDVUKZ-UHFFFAOYSA-N 421.519 1.850 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)NC(C)(C)Cc3ccc(C#N)cc3)CC2=O)cn1 1610926914 QOVJUFVQHLBQEJ-GOSISDBHSA-N 409.490 1.892 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1)N1CCOCC1 1611498259 AGJWVWQCVPUSKF-KRWDZBQOSA-N 410.522 1.746 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1613016420 WLGJCESRHUDPGI-LTRYHMRKSA-N 413.507 1.741 30 10 HDEE CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1615186708 PWBBJQNPJKPXAD-VLGSPTGOSA-N 415.498 1.275 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1)OC 1619595889 CILDJDCENOPUAE-OALUTQOASA-N 412.494 1.583 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1620055603 WOWKEFGNGQFODJ-QZTJIDSGSA-N 410.478 1.337 30 10 HDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NCCS(=O)(=O)c1ccc(C#N)cn1 1620540770 YPZDNAYBGCAXFB-IBGZPJMESA-N 405.451 1.630 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 1621611924 KLTLMMHGRFOEMW-UHFFFAOYSA-N 414.512 1.244 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1)c1cc[nH]n1 1624359646 JYUOPICHJJVUCD-GOEBONIOSA-N 401.423 1.125 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C1 1632533295 SIYCGUZVKSYTDG-COWJPUMTSA-N 409.464 1.572 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C#Cc4cccs4)CC3)C2=O)n(C)n1 1632750967 PAQYCRHSKNRRET-GOSISDBHSA-N 411.531 1.481 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1634215774 JQEBIWHLQFGGDP-INMHGKMJSA-N 416.540 1.508 30 10 HDEE C=C(C)COCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1635995576 QRQWPMIJLVSFKD-HNNXBMFYSA-N 416.565 1.996 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCc3c(nc(C)n3CCO)C2)CN(C(=O)OC(C)(C)C)C1 1636197171 PTAHVVXJCJRFNJ-MRXNPFEDSA-N 418.538 1.971 30 10 HDEE C#CCN(C)CCCNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1637963381 ULHWSLVOSOUARB-INIZCTEOSA-N 404.515 1.535 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(Br)cc1-n1cnnn1 1640924914 WGOXLPHBFBOKCX-UHFFFAOYSA-N 420.267 1.842 30 10 HDEE Cn1c(N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c(=O)n(C)c1=O 1643183305 VPDTVJZRDRSPJH-OAQYLSRUSA-N 417.510 1.573 30 10 HDEE C[C@H](CC(=O)NCCCN(C)c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 1643447722 FCKJTNIEDBTBJY-OAHLLOKOSA-N 415.519 1.541 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 1644080695 AHCHZLNZTJJSGZ-INIZCTEOSA-N 418.475 1.625 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]([C@H]4CCCCO4)C3)CC2)o1 1647783796 GHHVXEIXIUFLPB-PKOBYXMFSA-N 401.511 1.784 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1649672087 RBAVRBPZKOYPPS-GOSISDBHSA-N 417.473 1.974 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1 1669673382 QXRZJVBXSDZMNP-DOTOQJQBSA-N 404.492 1.535 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C(=O)OC)c([N+](=O)[O-])c1 1670199823 CYPBUOOXZTWZQL-UHFFFAOYSA-N 412.420 1.347 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OCC 1670886687 QQAXKCMQMZUHSU-SNVBAGLBSA-N 420.827 1.719 30 10 HDEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1681275320 RFXKVLYVRLLOPJ-UHFFFAOYSA-N 412.468 1.586 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4cccnn4)CC3)CC2)c1 1682384988 OPAWMBDXYSQNAN-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1689959824 OCNNGYJMZNEGTF-LJQANCHMSA-N 418.523 1.113 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690080505 XFUCUIZVLBXDCF-HXUWFJFHSA-N 423.565 1.666 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@H]1C 1690105172 VYYRSNVVXCDEJI-LIRRHRJNSA-N 405.524 1.260 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)CC1 1690364456 QUVDWFMWWMNODB-HNNXBMFYSA-N 405.524 1.585 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1690510167 VJANVVUCGQHGHM-UHFFFAOYSA-N 419.555 1.688 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1692659639 AXLDCMSDZHCZFE-HOCLYGCPSA-N 405.466 1.597 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1696689564 SEAYWOGSVWAFCQ-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCc2nccn2C1 1698061346 UUEUCZBQSYMDHQ-INIZCTEOSA-N 407.482 1.561 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1705540453 AIOIBLNWIVBEGE-HNNXBMFYSA-N 404.515 1.885 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705637277 PJWBUWNQRSLNKV-OAQYLSRUSA-N 421.593 1.726 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)C1 1705697060 JTLAGFNCGYJACT-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1705835056 YTGIWJHRKGSLTF-ZDUSSCGKSA-N 409.560 1.417 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC=C(COC)CC1 1705932435 UHHBLBATYOGPSR-UHFFFAOYSA-N 404.496 1.119 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1706058463 BWHYTIBXWRVLSX-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1706070882 OTCUPTRIEAKKOP-VXGBXAGGSA-N 411.919 1.581 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3CCCCCO)CC2)c1C#N 1707808027 XAHJLMSTLNNGNM-UHFFFAOYSA-N 414.558 1.978 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1710423860 LIUFUDULFIJQNJ-QEEYODRMSA-N 404.515 1.441 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)c2ccccc2c1=O 1711281602 AULBSKSTLNUWMC-HNNXBMFYSA-N 423.477 1.083 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)CN1CCOCC1 1712622491 QHASSUBLFZHKDS-YRXWBPOGSA-N 420.558 1.709 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1O 1712834148 RHVYFYIXJKKVMT-COXVUDFISA-N 423.477 1.012 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1722291682 GAMDTASFLYJRDE-AWEZNQCLSA-N 412.523 1.478 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722322311 RKOWEVMYXNDBPS-CYBMUJFWSA-N 414.432 1.335 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722369113 YREBPUPDUHMMBZ-OAHLLOKOSA-N 422.580 1.506 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)C1CC1 1722377085 OSACCLAFTGVJOH-LJQANCHMSA-N 402.462 1.419 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H]1CO 1722393356 ANBPHWRUCIXYAZ-IBGZPJMESA-N 407.522 1.435 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1722405104 JFXBGAUPLVUFTH-GHTZIAJQSA-N 405.543 1.499 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1722432987 WOLDNEZHUFUFLU-CZIZESTLSA-N 405.462 1.634 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)Cc2ccccc2)CC1 1722436273 BRTORXXZHIUFFJ-UHFFFAOYSA-N 413.547 1.526 30 10 HDEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1726756425 AYEQRMVXNGOFLM-CQSZACIVSA-N 421.548 1.715 30 10 HDEE CCCN1CCC(N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1728133603 MLGYNCMHROKYIX-HNENSFHCSA-N 401.515 1.424 30 10 HDEE CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1729199292 FEDHYZBZQYMOFR-UHFFFAOYSA-N 417.539 1.429 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1740571350 YUUHGHLZGCDBRN-UHFFFAOYSA-N 419.493 1.426 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1740688087 QNDVWPFHWMAORU-JBYIUTFZSA-N 419.570 1.349 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](F)COC)CC1 1740705486 IETNYQFRBWJTBZ-DLBZAZTESA-N 407.490 1.470 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740884595 GLSOZCNVAXOPKU-INIZCTEOSA-N 420.539 1.731 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740887017 ZVJSLOKGHCCYND-LAUBAEHRSA-N 419.526 1.377 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740958167 JPGXONNXWTYMTI-IRXDYDNUSA-N 404.515 1.174 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2ccnn2C)CC1 1740958173 JUYJCCIFBPYZSP-GOSISDBHSA-N 413.526 1.939 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NC(C)C)C1 1740980209 FSULQLPJEVNLRV-SFHVURJKSA-N 423.521 1.823 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2ccnc2C)C1 1740986506 ZGHLADNWJIOOIS-FHWLQOOXSA-N 416.526 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(O)cc2)CC1 1740993048 RUTAMZNGJXBNHD-UHFFFAOYSA-N 405.524 1.474 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741132701 LKBCQKPLKHFLMK-SYWZAZHRSA-N 413.482 1.294 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1OCC[C@H]1C 1741919407 FZKQTULHYLKDOP-IJEWVQPXSA-N 410.544 1.443 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1742113596 YCOYQTYXYSPNOF-XMSQKQJNSA-N 424.505 1.681 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)OC 1744165757 KAUCSHCUAXHSLL-ZHALLVOQSA-N 424.505 1.869 30 10 HDEE CCc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1744669402 BCGZIEQHTHSAIZ-MJWGMMHASA-N 410.482 1.442 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748821319 PBPVGJOIMYVUHB-SFHVURJKSA-N 403.552 1.119 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCCCN1CCN(CC)CC1 1748892244 LWCMTSPLHNJGQA-OAQYLSRUSA-N 412.582 1.663 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2snnc2C)CC1 1749329846 TVWRFWRDQJUHTQ-LBPRGKRZSA-N 411.557 1.499 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749663746 PEGQIQCKZLWHIU-QGZVFWFLSA-N 409.538 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccccc2C#N)CC1 1749723606 AULJYXIJWVITGE-UHFFFAOYSA-N 400.508 1.386 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749729524 MKFQHAQVGBOLIE-OAHLLOKOSA-N 418.523 1.033 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760144770 ASGILFYMVNDNLP-CABCVRRESA-N 405.528 1.029 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1760181891 DAWOYIQMMBSEGR-SFHVURJKSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)N(C)C 1760206262 VAYGDSUBAQBAFL-QZTJIDSGSA-N 405.568 1.229 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cccc(C(=O)NC)c1 1760247560 GLVAHPIBFKFPPW-UHFFFAOYSA-N 419.489 1.423 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1760259086 GLAYJSVMWFYVOP-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)C(C)(C)C)CC1 1760259551 NFCKPUSHXAVRCR-QGZVFWFLSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)CN2CCCC2)CC1 1760262076 IFTUXXGCQXHQNT-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1760281078 LAECWVSYULCOOG-KRWDZBQOSA-N 407.584 1.695 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1760428579 ZABDXQLSKLWLLC-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1760504168 WEBNRPFXRJBIAO-QGZVFWFLSA-N 418.542 1.661 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1761359014 LASOZYGPFAROGQ-HYVNUMGLSA-N 413.478 1.995 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1761545357 CBAAKVRGVZIPRF-MDZRGWNJSA-N 422.555 1.684 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 1764127528 OYPWXPYJZMJHDW-OXJNMPFZSA-N 422.505 1.834 30 10 HDEE CCOCc1nnc(N2CCC[C@H](C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766347617 GWZYWCLYQFHONR-IJYGLTAASA-N 402.499 1.967 30 10 HDEE COc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CC#N)c1 1768758115 CJSQTSABSLPEAH-HNNXBMFYSA-N 422.493 1.856 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCOCC(F)F)CCN1C1CC1 1770746564 BPTGNWVNHQMZBF-JKSUJKDBSA-N 410.469 1.978 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)c1 1848705711 NCXQROCCYJHANR-UHFFFAOYSA-N 402.451 1.324 30 10 HDEE N#CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1850225955 UMDOHIQDKSHIAY-UHFFFAOYSA-N 422.526 1.578 30 10 HDEE C=CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCN(C)C1=O 1852208076 ALAJZHGGRMJWCH-YPMHNXCESA-N 419.425 1.508 30 10 HDEE C#CC(C)(C)NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1852474266 FGAHABFHDKYLHV-UHFFFAOYSA-N 409.402 1.320 30 10 HDEE COc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)cc1 1852495617 RUUNQZJFBKEKJA-UHFFFAOYSA-N 404.434 1.208 30 10 HDEE COCCOc1cncc(C(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c1 1852612140 DPGFJWAPUDETEI-UHFFFAOYSA-N 409.386 1.981 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1852797295 LMRLXBNNJVYIQN-UHFFFAOYSA-N 417.531 1.747 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cc2ccc(C(N)=O)cc2)cc1 1853311397 FQVKXVGDCBEKBX-OAQYLSRUSA-N 423.469 1.523 30 10 HDEE CCC(=NOCCN1CCOCC1)NS(=O)(=O)c1cccc(C)c1C(=O)OC 1853517513 OLMIJJIAKWMNAC-UHFFFAOYSA-N 413.496 1.132 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccncc4)C3=O)CC2)CC1 1853675773 QCTUDLOZXWQAKX-IBGZPJMESA-N 409.490 1.297 30 10 HDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854438087 MHRQXCKVRTUIPS-CQSZACIVSA-N 423.466 1.430 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CCC(=O)N1C 1854615234 UTDGJUGEASIEDB-ZFWWWQNUSA-N 402.882 1.700 30 10 HDEE CCc1nc2ccccc2n1CC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855002110 AXEKXPVTWCAFCX-QGZVFWFLSA-N 408.506 1.257 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C1 1855312626 VHGDPUVWYWZBJQ-HOTGVXAUSA-N 402.520 1.404 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCCN(C4COC4)CC3)CCC2=O)cc1 1855843293 ZLKBPCWGNLOACN-HXUWFJFHSA-N 410.518 1.272 30 10 HDEE COc1ccc(OC)c(CN2CCN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1856279333 JVSUBSNHEJGKBJ-MRXNPFEDSA-N 400.479 1.110 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC(COc4cnccn4)CC3)C2=O)cc1 1856431589 UYFMWXBRWJGGST-IBGZPJMESA-N 405.458 1.880 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)CC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1857398128 ZORPFXTXNDKVRE-GFCCVEGCSA-N 410.400 1.186 30 10 HDEE CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)CC1 1857503525 IDEZNYPZPOEWTI-SFHVURJKSA-N 403.504 1.917 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862757591 JUXHVJPYZLXLGN-INIZCTEOSA-N 412.354 1.864 30 10 HDEE N#Cc1nnn(-c2ccc(F)cc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144130 PDCINIKJLXTMIJ-UHFFFAOYSA-N 404.361 1.903 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(C(C)=O)cc2)c(=O)cc1CN1CC(O)C1 1870399297 IODKHCPSGLWWNU-UHFFFAOYSA-N 411.458 1.431 30 10 HDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707245 SOOGVYUMCVVAMV-UHFFFAOYSA-N 417.470 1.573 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCCO)ncnc21 1875229402 XOLLUKLLAZCTNI-UHFFFAOYSA-N 422.493 1.164 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn(C(F)F)c3)CC2)CC1 1889303497 UTFSDROYLKDJON-UHFFFAOYSA-N 423.508 1.929 30 10 HDEE CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1ccccc1C#N 1890246091 YIJIXYOUNXQSDR-UHFFFAOYSA-N 423.502 1.773 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891266071 GUZJNLGGSMBYCH-KGLIPLIRSA-N 412.475 1.320 30 10 HDEE C#CCNC(=O)CNC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1962769256 YTJOAHQBNSMXBB-HNNXBMFYSA-N 405.454 1.779 30 10 HDEE CC(C)(C)OC(=O)NCC1(NCc2occc2B2OC(C)(C)C(C)(C)O2)COC1 1975559684 JFISBTFMPFABDF-UHFFFAOYSA-N 408.304 1.962 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2060606110 YZQIKLOVIJIMBA-LLVKDONJSA-N 414.304 1.843 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F 2174787747 XLFFVSPTWGBNPY-JTQLQIEISA-N 408.402 1.935 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H]2CCO[C@@]2(CNC(=O)OC(C)(C)C)C1 2175163535 PFXIAXWNAOOZLE-RKVPGOIHSA-N 401.529 1.728 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H]2C[C@H]1CN2C(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2243417140 LZYSUAYULLYPKK-NEPJUHHUSA-N 424.250 1.351 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2243437037 QVQVJPWVPSHFCH-HUUCEWRRSA-N 408.304 1.355 30 10 HDEE Cc1c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247840020 GRTYUSRZXOTYNR-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]12 2247865542 WTCVVQSCODTTCT-ZIAGYGMSSA-N 417.315 1.909 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921117 JTQGWPKQGQXFTR-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE CC[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247923065 RXULAQIZECJIKO-AWEZNQCLSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247927974 TYRAOUOMTNNQSM-TZMCWYRMSA-N 418.303 1.419 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2248572848 WHZWIEXZJWQJFJ-UHFFFAOYSA-N 423.294 1.596 30 10 HDEE C[C@@H](CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(C)(=O)=O 2267567752 MNQUUCHXCWYBJP-VIFPVBQESA-N 407.750 1.864 30 10 HDEE CC1(C)OB(c2ccc(CNS(=O)(=O)C3CC4(C3)OCCO4)cc2)OC1(C)C 2277893484 GWCHZDJEVBMEAZ-UHFFFAOYSA-N 409.313 1.311 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)cs2)OC1(C)C 2282203166 MARMBCDRDUYBMT-CYBMUJFWSA-N 417.383 1.607 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331882 STLVSZDNUWRHPI-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H](S(C)(=O)=O)CC[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2282491237 KGBWBMBDCGAAIL-KBPBESRZSA-N 407.363 1.401 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282510793 DSZYFYAHWCPRFL-VWLOTQADSA-N 406.310 1.388 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@@H](N)C1 2282826589 SHRBABCKKRSZPK-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CN(C[C@@H]1CCSC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831981 HMYLWEKDFYALKD-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282836883 QGRXXYFZGFVFTC-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE COC[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845352 QWBJWCDBFSEVNT-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](O)CC2)OC1(C)C 2282845534 VAHXICNTTVZHAJ-AWEZNQCLSA-N 401.359 1.724 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](O)CC(F)(F)F)OC1(C)C 2282865975 BGBMZRQXAVTQKM-VIFPVBQESA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)O)c2)OC1(C)C 2284399572 LXRCIGSWECXWBD-QWRGUYRKSA-N 405.278 1.233 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284399835 OVVAXVLZYBZKNU-NSHDSACASA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@]3(C)C(=O)O)cc2Cl)OC1(C)C 2284411297 IJAWNCMXNDAHPS-OAHLLOKOSA-N 421.733 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@]3(C)CC(=O)O)s2)OC1(C)C 2284416553 ZMSFQRUNGSAATP-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2287377060 SVBNFNZAQJSCSL-OLZOCXBDSA-N 401.529 1.348 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)n1C 2300224931 IKLNRYBAGLOKPZ-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE COc1cc(C=Nn2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 2322038153 CERXYOFXCIATOW-GFCCVEGCSA-N 405.480 1.896 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CC[C@H]3[C@H]4N)cc2Cl)OC1(C)C 2359272604 CGSZNDVTMWUTEA-GAFUQQFSSA-N 418.777 1.811 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2363598818 UUOYPNDGFUFVAW-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CCc1csc(C#C[C@H](O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363965311 SXPZBOMMECMXCV-GJZGRUSLSA-N 414.549 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365171960 QZJPVGNQWYINHZ-YPMHNXCESA-N 409.451 1.388 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365205209 SNHJMODVHJOAAJ-PMPSAXMXSA-N 404.573 1.688 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2365209367 FVUGQWCYRKEDHL-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365252277 CHJAPCLGIKIEDG-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367790920 ICZBIIGZLJJGMS-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)CC1 2367797687 NUBLJCCUVBDITF-OAHLLOKOSA-N 401.525 1.734 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(NC(=O)OC(C)(C)C)CCOCC1 2367805032 YDSONYHQHOQGLH-HNNXBMFYSA-N 400.541 1.619 30 10 HDEE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)cc(OC)c1OC 59830902 LVFWNXOGYQDLSD-NTOSSWPYSA-N 408.484 1.845 30 10 HDEE N#CCOc1ccc([C@H]2NC(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 108321722 QKKRJWAYYXLSND-QGZVFWFLSA-N 403.398 1.712 30 10 HDEE N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCOCC3)[nH]c2cn1 142248987 ZRZYCVBFDMPLGD-IBGZPJMESA-N 421.432 1.774 30 10 HDEE N#Cc1cncnc1-n1cnc(I)c1I 306404900 UQGJGKYAEXFMQJ-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE C#CCN(CC=C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 380543635 CGWLBQKMWRQLOL-UHFFFAOYSA-N 405.213 1.799 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)n1cnc(C#N)n1 409623418 RNRWECSCLHSRCO-QZTJIDSGSA-N 408.510 1.167 30 10 HDEE CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cs1 409804949 IBMUZCJLEIKXKW-ZIAGYGMSSA-N 403.512 1.609 30 10 HDEE N#CCCC[C@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 433015087 VGAXARVEKMDOQO-PMACEKPBSA-N 418.563 1.342 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 434462560 GRWLJHWKNFLUKA-GOEBONIOSA-N 423.560 1.786 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c(C)o1 438615911 ACYOGPDFHCJSHH-UHFFFAOYSA-N 418.475 1.883 30 10 HDEE C[C@@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)CN1CCOCC1 446627646 GKGFTLJIGKAGEG-IVMQYODDSA-N 401.511 1.911 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c1 468290284 RNMCBWJDFGMXGS-LJQANCHMSA-N 415.519 1.724 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCC1 477516733 MWGAPRYWDKOSLY-UHFFFAOYSA-N 420.535 1.461 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CC(N4CCCCC4)C3)C2=O)cc1 477942545 FPANPIQVBPICCM-KVZIAJEVSA-N 409.490 1.896 30 10 HDEE C=CCN(Cc1ccccc1F)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480480452 SHVUUVGFWQCZRJ-UHFFFAOYSA-N 404.529 1.815 30 10 HDEE COCCOc1cccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480522967 JYVQBRLJKIILNI-HNNXBMFYSA-N 417.487 1.567 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(F)c1 480706367 IGJOKOHXKYGWDG-CTNGQTDRSA-N 417.506 2.000 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc3nc[nH]c23)CC1 501531037 KGMANSRPSBPAJV-UHFFFAOYSA-N 406.284 1.385 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 501962782 ZBVLDRZRCPXLJJ-UHFFFAOYSA-N 403.485 1.324 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC(N)=O)cc2)cc1 503680308 NDVXKZXGMHZBTF-QGZVFWFLSA-N 410.455 1.576 30 10 HDEE COC(=O)c1cnoc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 505695048 ROHVPCCICNXYPD-CQSZACIVSA-N 405.432 1.703 30 10 HDEE N#Cc1ccsc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 539694508 GUJYBJYXFFOKPW-UHFFFAOYSA-N 405.457 1.194 30 10 HDEE Cc1cc(S(=O)(=O)NCCNS(=O)(=O)CC2(C#N)CCCC2)c(C)s1 545364656 NWRMOKASFHBQRL-UHFFFAOYSA-N 405.567 1.647 30 10 HDEE N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 548576943 UAPGPQISABIYSR-UHFFFAOYSA-N 420.468 1.164 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 553968086 HJRYPRCYSXYGRL-QGZVFWFLSA-N 413.869 1.961 30 10 HDEE COc1cc(CNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)ccc1C#N 563489220 SXOYRWWXLNKPOP-UHFFFAOYSA-N 422.489 1.663 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 576364621 OGXNZDSCAOJHMH-INIZCTEOSA-N 417.539 1.181 30 10 HDEE C=CCN(CC=C)C(=O)NCCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 586455753 WJCPEMPTCXUKHO-UHFFFAOYSA-N 408.524 1.440 30 10 HDEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 586948235 YUEJFBITFJHFIL-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1 732440914 CQMCCERCJWVMJF-QBHGPPCGSA-N 412.425 1.474 30 10 HDEE C[S@](=O)Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl 734693489 NIFPVBDVGVOGJB-RXAIFQJESA-N 408.911 1.356 30 10 HDEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 742213408 IHWLEZORKRVFHA-GOSISDBHSA-N 411.531 1.971 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 750430675 NEUJHRTUCZQLDI-UHFFFAOYSA-N 411.433 1.936 30 10 HDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 751924675 YSBNRLJXNGMWOG-GDBMZVCRSA-N 419.551 1.129 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 756888478 WOSSFPBQVVXGGZ-DLBZAZTESA-N 416.526 1.507 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)CC1 758476019 WSOMPWYZVZTBHF-CQSZACIVSA-N 408.424 1.897 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758641756 CAJVNKZHULUVRD-ZFWWWQNUSA-N 408.480 1.084 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)CC1 766413096 VSEKPNLNSHLNGR-UHFFFAOYSA-N 407.518 1.559 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cn1 772280674 ZIETWLOLDVOJNV-INIZCTEOSA-N 410.499 1.258 30 10 HDEE C#CCN(C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 774184575 CQRVJXFVPBPNOY-INIZCTEOSA-N 406.504 1.567 30 10 HDEE COc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)N(C)C)c1 774948770 QGNZKSMKNNBJTL-IBGZPJMESA-N 410.474 1.611 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1)C1CCCC1 776687777 RHCXZTSFBDDKKS-UHFFFAOYSA-N 408.476 1.783 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 780993376 GJZOYOBKRICRQW-SFHVURJKSA-N 401.444 1.720 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 783026950 YWFCIWUIBKHVJY-OAGGEKHMSA-N 413.540 1.654 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C[C@@H]1CCCO1 783943192 QPIGQOQGKZOFST-AWEZNQCLSA-N 416.846 1.677 30 10 HDEE CCOC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 784754563 OGQYMTXGEUHFIE-UHFFFAOYSA-N 411.414 1.764 30 10 HDEE C#CCOCCC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789457025 QJYNDZVXBWABEP-IEBWSBKVSA-N 400.475 1.826 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCN(C)C(=O)OCc2ccccc2)CC1 792892118 UHCOOTATNKVYTC-UHFFFAOYSA-N 402.495 1.092 30 10 HDEE C#CCN(Cc1cc(Br)ccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 801522735 BFSULZKMXICDMX-CQSZACIVSA-N 400.294 1.858 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)cc1C#N 806516619 MYGOHWQGMPDKSB-CYBMUJFWSA-N 404.467 1.603 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C 808317863 SDIBEXDYNXMARZ-MRXNPFEDSA-N 408.480 1.659 30 10 HDEE C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](O)c1ccccc1 808946899 BJZPNYMPRASASJ-RDTXWAMCSA-N 404.430 1.375 30 10 HDEE CCCc1nnc(SCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)n1N 813510607 DHTFFNSXJGBWBR-UHFFFAOYSA-N 413.551 1.711 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)NC(=O)C3(c4cc(F)cc(C#N)c4)CC3)cc12 816201246 VGDRKORRWQWTEI-UHFFFAOYSA-N 413.434 1.824 30 10 HDEE CC(C)C[C@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCNC1=O 1125136601 JEPQVDQYRSVEEE-YYTOJMEDSA-N 420.535 1.990 30 10 HDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1128016462 QTPABYHOSNPJKC-INIZCTEOSA-N 401.444 1.789 30 10 HDEE COc1ccc(-n2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)cc1 1138110029 LNLLUZFOBICVNZ-BBRMVZONSA-N 412.450 1.765 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1141496870 VRVLIICAEBJFSR-ZFWWWQNUSA-N 402.310 1.153 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(O)c3ccccc3n2)c1 1141678698 DEUYDQZNZJPKKO-UHFFFAOYSA-N 400.391 1.702 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CCCN(C(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1143763145 XALUPOHZJMILJN-CYBMUJFWSA-N 405.417 1.774 30 10 HDEE C#CCN(C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C1CSC1 1166142871 STTHSMFBRKSSQB-UHFFFAOYSA-N 415.519 1.987 30 10 HDEE C=CCS(=O)(=O)CCNCc1cc(Br)ccc1O[C@H](C)C(=O)NC 1178286393 YYAWWFLGURJJDK-GFCCVEGCSA-N 419.341 1.653 30 10 HDEE CC(=O)N1C[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)Oc2ccccc21 1184272382 ILVBRVNCWWGLDT-LJQANCHMSA-N 423.425 1.705 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)c1 1191075893 DJNALZVCSRDYRS-KRWDZBQOSA-N 405.520 1.293 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1207339121 IOTVZVZYCVMLKQ-UHFFFAOYSA-N 423.535 1.774 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1212242230 WPGFTRWOXIEBCW-YJBOKZPZSA-N 414.549 1.731 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)CC2)c1 1230534914 KKAOAZWRDGJDMC-UHFFFAOYSA-N 423.439 1.939 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 1248676344 MWETUHQLPQIZAK-IRXDYDNUSA-N 419.323 1.729 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1251164691 CTDJFQVJMZSUPG-CVEARBPZSA-N 419.478 1.523 30 10 HDEE N#Cc1cnc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c(Cl)c1 1278765738 ODOINPRRRGKLSS-UHFFFAOYSA-N 404.879 1.771 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCS(=O)(=O)C(C)(C)C 1286277513 DKRSDFTUXWFYKO-GJZGRUSLSA-N 400.545 1.673 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1286371834 FQLWBNYDWQICDM-HUUCEWRRSA-N 402.499 1.698 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1286393983 SMOTXUPVLDMYGT-KRWDZBQOSA-N 403.483 1.440 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1286448619 ZLYKPNPLMVTJRB-MAUKXSAKSA-N 411.597 1.077 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](COC)OC)CC1 1286483851 AYDQFZFVEHHHPV-KRWDZBQOSA-N 417.485 1.413 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1286496152 OMXCHHLEOYCOIV-WMLDXEAASA-N 410.569 1.385 30 10 HDEE C=CCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286778074 XPGJUORNEMUTFW-RVKKMQEKSA-N 400.545 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](CNC(C)=O)C1 1286818475 XFWFHGPHMJQTIN-NVXWUHKLSA-N 411.572 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(C)(C)C)C1 1286819902 ZBYOGERNAZZONU-LSDHHAIUSA-N 409.556 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)C)CC1 1286820902 UXDKMYYANHKMRO-QGZVFWFLSA-N 411.572 1.303 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1288167511 DARWGWVGIAGDJX-KBXCAEBGSA-N 404.496 1.114 30 10 HDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1290250312 TUXYKPLTWORHOE-JOCHJYFZSA-N 408.506 1.952 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1292488038 XESDRTQVQVDCLU-SFHVURJKSA-N 424.881 1.780 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1293245145 BPIAIDZKQUNIOA-UHFFFAOYSA-N 410.449 1.894 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCS1 1293559935 GQJQBBBONVULGQ-INIZCTEOSA-N 420.564 1.698 30 10 HDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1CCO 1296778962 KPJCXQJPWWRUDS-ZDUSSCGKSA-N 407.312 1.282 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nnn(-c2ccccc2Br)c1C)C(=O)OC 1297030306 UTLSZWGJTLUWHE-CYBMUJFWSA-N 423.267 1.812 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300421804 RTYFQHWHPILZIF-SFHVURJKSA-N 418.567 1.957 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300422066 XOZBFZMZWPGQLZ-IRXDYDNUSA-N 406.556 1.811 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCOCCS(C)(=O)=O 1300450417 HRMMHSRFDHXVPL-UHFFFAOYSA-N 415.519 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1300548887 SBMZEGCIFSEOFJ-UHFFFAOYSA-N 421.436 1.222 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1300768639 VHVRUYVOZMELDO-DLBZAZTESA-N 404.584 1.686 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301136818 FCXUQDMWCACPFP-KUHUBIRLSA-N 424.571 1.207 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1301425758 YILNTUGQOHPONM-CQSZACIVSA-N 411.553 1.632 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1301613350 WLBFAXKZDJVTCB-QLFBSQMISA-N 400.570 1.713 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(=O)OC 1302428086 FEEVHRWFYSYPCN-CQSZACIVSA-N 400.522 1.699 30 10 HDEE CS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1302465852 FOACFUALMJKNKY-ZDUSSCGKSA-N 400.464 1.200 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCS(=O)CC2)o1 1302991691 KVWYVQBSVSPCMI-UHFFFAOYSA-N 411.447 1.007 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)cc1 1303595728 HOXWZANTFUFHLK-CQSZACIVSA-N 402.480 1.372 30 10 HDEE C=C(C)CS(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1309834169 LVUIUFSHUDGEEI-UHFFFAOYSA-N 406.552 1.448 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 1311884884 BXLFMKVBSXBRHZ-UHFFFAOYSA-N 408.480 1.071 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 1312922171 YMQJBSZQKVTQHB-UHFFFAOYSA-N 422.514 1.849 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1314915817 TUFFYAOBGRWKBV-ROUUACIJSA-N 413.526 1.249 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CCC1 1316335451 CYXVHGUPFOMMES-AWEZNQCLSA-N 419.482 1.780 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1358890007 JYCNJRRWAXDVPI-WMZOPIPTSA-N 415.563 1.947 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)CCCO2 1359018272 KEGGNMMRNVLHKE-UHFFFAOYSA-N 423.517 1.973 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)C2CCC2)CC1 1359037679 SNSDMDGGJIQGJS-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCC[C@H]2C)CC1 1359038035 IEFZYRWBCVFMEL-VGOFRKELSA-N 411.554 1.446 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1 1359062383 GEOCVLUXQUGLHQ-OAQYLSRUSA-N 416.570 1.644 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359187734 VPOPJZFNNJNPAK-CVEARBPZSA-N 404.515 1.173 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2OC)C1 1359321216 BZHBSFSCSJLKNK-MLHJIOFPSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)CC1 1359330638 YAUNQGJBBVFWOB-UHFFFAOYSA-N 418.567 1.719 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359333191 QFEWVZLTYAKRRC-UHFFFAOYSA-N 423.583 1.670 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1360486547 FQPJGWCGQYHBIJ-NXHAUGRDSA-N 423.477 1.172 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1435068224 FJLMKUIFEAXFLT-GUXCAODWSA-N 410.536 1.673 30 10 HDEE Cc1ccc(C(=O)NCCCN2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1440647606 QYSDWJMEPLYKNM-UHFFFAOYSA-N 401.360 1.662 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 1443911234 MAYWZNNZBSAGRR-AWEZNQCLSA-N 401.529 1.340 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC(=O)NCC(F)F 1448672283 KEGMETMHWPHLOA-QGZVFWFLSA-N 422.432 1.890 30 10 HDEE C=CCNc1ncc(C(=O)N2NC(=O)C[C@@]23CCN(C(=O)OC(C)(C)C)C3)s1 1453049423 MEILYNRMQRANJM-GOSISDBHSA-N 407.496 1.998 30 10 HDEE COc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cnc1OC 1453583431 ZZCSDFYDMGWKNL-NSHDSACASA-N 404.448 1.555 30 10 HDEE C#C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 1453747429 SNAPKTGGQRHEKS-SJORKVTESA-N 407.511 1.437 30 10 HDEE CCCCc1ccc(N2C[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1453840814 GQYBRVIVZMGBEB-MRXNPFEDSA-N 423.473 1.332 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1S(=O)(=O)NCC#N 1454129742 FYHPBTPSKMTPAI-KRWDZBQOSA-N 404.536 1.649 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(F)cc(I)c2N)C1 1455711831 JCBVTCUVTQRDFY-LLVKDONJSA-N 401.223 1.840 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1455983222 IGXQRODDLJKHQD-ZDUSSCGKSA-N 407.370 1.087 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@]3(C)CCS(=O)(=O)C3)C2)C1 1463925920 BDIVKBCUYJVKQE-XVJCXKAOSA-N 411.524 1.467 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)C1 1467830002 GXLNBUQCUHVSFG-HNNXBMFYSA-N 412.581 1.675 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1468574145 HFJIRWHJALEESD-CQSZACIVSA-N 422.507 1.486 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 1469193455 FFLDQGSERVMUAP-LLVKDONJSA-N 407.473 1.390 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]([C@H]2CCCO2)C1 1473820219 ZTPMNUJSBOLGLI-UAFMIMERSA-N 420.554 1.111 30 10 HDEE C#CC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1475378367 NEZWOFBRWUTSPV-HZPDHXFCSA-N 412.895 1.429 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C1CCOCC1 1475515430 RZUBHBGIOMJYEL-HNNXBMFYSA-N 416.293 1.942 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1479404934 NYNYHDIGTCZDEX-XHSDSOJGSA-N 413.540 1.512 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1494105841 DUSNEASOICEFMW-ONSXPEOJSA-N 412.519 1.395 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1503292056 OLIKGLQLKDEOIY-YRVHBCJASA-N 417.535 1.827 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CC1 1503823662 YPKJFVQPLDZRMV-UHFFFAOYSA-N 419.436 1.907 30 10 HDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCCC1 1504046511 DDZRYYUPNAADAU-OAHLLOKOSA-N 424.571 1.978 30 10 HDEE COCc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1504642589 HZVGCCNYDJMAIS-CRAIPNDOSA-N 417.535 1.971 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(C)(OC)C2)cn1 1504899002 CXAZJGTWKRTDSZ-UHFFFAOYSA-N 407.478 1.933 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccc1OC 1504998510 JMGZLKJYELPPDM-FUHWJXTLSA-N 415.494 1.982 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)C1 1505124789 XLFTZQSWWIUSRP-GOSISDBHSA-N 417.535 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1507523588 NGNPAFRQIRPAOW-INIZCTEOSA-N 423.550 1.428 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1507617152 RHDSPYHXMASACQ-OAHLLOKOSA-N 423.539 1.117 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1 1507704279 WEFMPFGLOJZIKG-KNKQGSTJSA-N 420.554 1.956 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC2CCOCC2)CC1 1507716894 VVMCNEFBCWCNIG-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCC)CC1 1507719935 CLCTXGPRQZYJGW-UHFFFAOYSA-N 405.510 1.866 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)[C@H](C)CC)CC1 1507721290 ZWDCGVMDLKJMAD-DENIHFKCSA-N 418.586 1.416 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(C(=O)NCC)CCC2)CC1 1507724661 URJAEQRMCFMDFX-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507755945 XGYNZLJCBBXGIY-HZPDHXFCSA-N 419.551 1.370 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1507983447 QNRSMRSKOIVQOO-CABCVRRESA-N 404.492 1.642 30 10 HDEE Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1510550191 CLWQNBDWURXWPF-VPWXQRGCSA-N 401.467 1.976 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1513372607 IMAXIOPYEIZQNS-LEWJYISDSA-N 415.542 1.805 30 10 HDEE Cn1ncc(CCCn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)n1 1517422013 GNRUAINRTMKDLL-FQEVSTJZSA-N 420.521 1.943 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1cnnn1C 1519437674 WCKRXUYCSHMSDN-URLQWDBASA-N 400.487 1.309 30 10 HDEE CSCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1520417151 FNJDGWMIAYOUPH-HZPDHXFCSA-N 403.556 1.549 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3(n4cnnn4)CCOCC3)CC2)c(Cl)c1 1524577138 HOQWQGFSMYFLBM-UHFFFAOYSA-N 401.858 1.053 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1532934202 MYEHENQFENLFIZ-AZUAARDMSA-N 404.532 1.940 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)nn1 1533830160 OHYKVGGDWKEEKJ-UHFFFAOYSA-N 416.457 1.906 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCc3c(CC#N)cccc3C2)[C@H]1c1nccn1C 1534526150 KYJDNMPDROCOKS-PMACEKPBSA-N 407.474 1.359 30 10 HDEE COC(=O)[C@H](CC1CCOCC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1536564429 XGHPARRRHKWUTM-AEFFLSMTSA-N 403.454 1.998 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1539003740 FYNZIUARUYXESM-NVXWUHKLSA-N 415.519 1.551 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1539126200 UIAUAKQBKAJLMW-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)[C@H](C)CC)CC1 1539460171 ZBOTUUVGIIYNFK-VGSWGCGISA-N 413.570 1.692 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC)CC1 1539488119 HUEJOACRDIUJKB-UHFFFAOYSA-N 413.526 1.142 30 10 HDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539802842 AAMBJPOWSJINIC-HZPDHXFCSA-N 419.869 1.494 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(Cl)C[C@H]4CC[C@H]3O4)CC2)cc1 1540728341 CVZMNRKZJAIFIN-QGPMSJSTSA-N 409.895 1.320 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(C)(C)CN2CCOCC2)cc1 1544463221 SSLKVBVCZYAUBU-RELWKKBWSA-N 422.551 1.796 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@H]1N1CCOCC1 1544713968 LTXIUDGMYLPGEK-DBXWQHBBSA-N 423.565 1.924 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](CO)C2)nn1C 1548402882 XVPSLTZHVWWHON-HNNXBMFYSA-N 407.396 1.942 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1552662336 CFAMSODPPJPGPI-QZTJIDSGSA-N 410.478 1.261 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(S(C)(=O)=O)C1 1557029354 SOAADLDCCUBABC-QGZVFWFLSA-N 419.503 1.648 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 1557328789 QQUQIFRPVGTTFQ-LESCRADOSA-N 424.519 1.628 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)CC1 1558073758 YWQAJZXIEPLSAG-INIZCTEOSA-N 405.520 1.241 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 1558422156 ULCUBGMBCRTHMK-UHFFFAOYSA-N 417.325 1.657 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(Cc2ccnn2C)CC1 1558820869 ZXGHSHCKAAKNRX-UHFFFAOYSA-N 406.494 1.228 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](OC(=O)N(C)C)C3)ccc2c1=O 1558984604 DVKIFKVYDWDITB-CYBMUJFWSA-N 402.476 1.784 30 10 HDEE CN(C)C(=O)O[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1559847883 CTSZHGUHNOHEJS-IRXDYDNUSA-N 419.551 1.620 30 10 HDEE COCCS(=O)(=O)CCCN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1559977847 GSCGFPUZRGQTSA-UHFFFAOYSA-N 417.535 1.522 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 1564417089 LXZTWKCVYUHBHM-GJZGRUSLSA-N 403.545 1.780 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 1564847368 LNNBZMSUCPDPIO-MRXNPFEDSA-N 407.312 1.587 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1565156165 DEBJTIUSCGWSIV-INIZCTEOSA-N 403.479 1.600 30 10 HDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@H](C#N)CO)C[C@@H](C)O1 1569055238 NWZGFFQAEYQIIZ-MGPQQGTHSA-N 401.492 1.336 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 1570327659 USPSTOHKXGTMNX-GOSISDBHSA-N 400.504 1.725 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1587650371 AZJAJCNNJLWNFH-OAHLLOKOSA-N 402.520 1.913 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1587749482 JPWMEHLKBVUTQZ-UHFFFAOYSA-N 410.526 1.866 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1cccs1 1587945500 LJJXVAMZWPXTEU-FQEVSTJZSA-N 420.502 1.959 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCc2cnccn2)CC1 1588071387 CEFJBYIFGOGRSQ-SFHVURJKSA-N 401.511 1.470 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1588261967 BDWSWWIHHCWEGP-GOSISDBHSA-N 424.553 1.411 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1589048167 WPQZITXWFCSEGY-HXUWFJFHSA-N 415.567 1.346 30 10 HDEE CN(CCCC(=O)NCC#C[C@H]1CCCCO1)C1=NS(=O)(=O)c2ccccc21 1606801177 FEEVESVDTCQYPN-MRXNPFEDSA-N 403.504 1.536 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)cs1 1612403108 NQZNCQMOUQNLIY-UYHISHBKSA-N 406.487 1.616 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1C(=O)OC 1617318719 ONMSCLUPILMHTB-ZIAGYGMSSA-N 409.236 1.284 30 10 HDEE C[C@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)S(=O)(=O)C1CCOCC1 1618077450 GULGDGVNJDEIKS-OAHLLOKOSA-N 406.504 1.662 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@@H]2CCOC2)CCO1 1620356041 QXMMGOPISISGLJ-KSZLIROESA-N 405.499 1.692 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1625082751 RXLUVRHIHPZXLW-KRWDZBQOSA-N 403.460 1.906 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCCN2CCOCC2)C1 1625808663 UTMKFJDLDGBTLE-UHFFFAOYSA-N 421.339 1.986 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)C[C@H]1CS(=O)(=O)C2 1626655757 KYDFGWFWBTXKLX-GUYCJALGSA-N 424.404 1.901 30 10 HDEE CN(C)CCN1CCC(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1627142775 LJNHDDNBJKQOKI-SFHVURJKSA-N 409.575 1.963 30 10 HDEE C#CCN(C(=O)NCCc1coc(-c2ccc(OC)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1630719841 MOWJJETZZUOLQH-QGZVFWFLSA-N 417.487 1.725 30 10 HDEE C#CC[C@]1(C(=O)NCc2cn(C(C)C)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1632996540 AOQDMTKYXUHDOD-OAQYLSRUSA-N 418.494 1.939 30 10 HDEE CC#CCNC(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N 1633028596 DKXGDINVNGQHNZ-UHFFFAOYSA-N 405.499 1.240 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CCO[C@](C)(C#N)C1 1635062018 IAJBINTWNZQZMZ-MRXNPFEDSA-N 400.888 1.251 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cs1)C(N)=O 1637909093 MNUBHBWIHMIUOF-GFCCVEGCSA-N 416.532 1.267 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3cccc(Br)c3C2)C1=O 1639185996 MWBCTAVQFJVUCA-UHFFFAOYSA-N 422.235 1.147 30 10 HDEE C#CCn1ccc(CN(CCOC)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1 1642952086 FVCWLCCTJIMPKC-OAQYLSRUSA-N 406.527 1.727 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1644465926 MDGDRFXNIQARML-MQOXYSBPSA-N 421.494 1.156 30 10 HDEE O=C1C=COC2(CCN(C(=O)CC[S@](=O)c3ccc4c(c3)OCCO4)CC2)C1 1648004700 BQVZVHFFPGUEBM-NDEPHWFRSA-N 405.472 1.820 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)OCC 1648779688 OVQSIZSFWBQCFX-OAHLLOKOSA-N 416.883 1.186 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(OC3CCCC3)c2)CC1 1650845996 FBMNIQZSOGUITR-UHFFFAOYSA-N 421.519 1.242 30 10 HDEE N#Cc1ccc(N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1Br 1651487925 XEYOPTOMPLWNKD-RYCVTPFZSA-N 412.309 1.944 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3CCN(c4ccccn4)CC3)C2)nc1 1652332362 VHLWYURRUAZVKD-LJQANCHMSA-N 405.506 1.573 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)s1 1652500584 FGXRJNWXKLKOFX-NSHDSACASA-N 422.985 1.199 30 10 HDEE C[C@H](NC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1655381445 OUVKEQSCJRAJNA-JKSUJKDBSA-N 414.531 1.946 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 1660519846 OXGLPCGSYWLXHA-UHFFFAOYSA-N 423.472 1.370 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1660672784 WICBJBRCJYOFQE-KURKYZTESA-N 419.570 1.476 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)CC1 1671741228 JQZXNDCNTSNZJT-UHFFFAOYSA-N 405.520 1.858 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3nc(C4CCOCC4)n[nH]3)CC2)cc1 1675090301 PTHVWLNHEWJZLM-UHFFFAOYSA-N 423.521 1.988 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)CC1 1676811638 GTLYKLYLNYPQPO-UHFFFAOYSA-N 411.524 1.224 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@@H](O)c1ccccc1Br 1680686295 UWNWZOONTINDPT-CQSZACIVSA-N 405.314 1.725 30 10 HDEE N#Cc1csc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)n1 1685525091 RRJUGSIAXILDQM-TVQRCGJNSA-N 408.427 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1C 1689840425 ZGNJZSLTDCGIKB-AWEZNQCLSA-N 402.466 1.469 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1689917691 CMIVWLYRBMNCLD-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC#C)CCOC 1689929749 DAAJMMRETAOMOJ-UHFFFAOYSA-N 407.522 1.952 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1689937017 LXOUFHPBISCGCE-SFHVURJKSA-N 414.554 1.503 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1689979910 JCHPFXPFNLVACZ-INIZCTEOSA-N 403.508 1.480 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1690156375 WRPBUYKLJOCZQJ-UHFFFAOYSA-N 406.556 1.231 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690287763 SONVRDHEEAUHPN-SFHVURJKSA-N 402.543 1.493 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1690299275 LQWPVVLXJWQBBQ-UHFFFAOYSA-N 421.546 1.251 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1690345681 ANKGXAYBJNDFNE-SOUVJXGZSA-N 401.964 1.852 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690459834 ZRGIITLOYMZRCP-UHFFFAOYSA-N 421.571 1.895 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1690484621 AIGUTAGIFBZXJE-DLBZAZTESA-N 409.556 1.814 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690591422 NIKLDVPUSAWADC-HNNXBMFYSA-N 403.512 1.195 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1690677199 QPQBXAWBENPKEM-HUUCEWRRSA-N 422.530 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CC(=O)NC)CC1 1690723132 IYRFTIVHEQEDKR-UHFFFAOYSA-N 409.556 1.499 30 10 HDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C1CC1 1692811191 DUYVONCSCYDXKW-NRFANRHFSA-N 410.478 1.216 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1693547698 KDKLPCYNQIEZTD-PBHICJAKSA-N 421.505 1.398 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCO1 1693782161 CBIZVNCANUKWDX-GFCCVEGCSA-N 408.384 1.720 30 10 HDEE CCOCc1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696276828 YLQJHOCRKHAWQS-ZCXUNETKSA-N 402.499 1.967 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N2CCOCC2)CC1 1698491447 BXYOAUVDXGYLDE-UHFFFAOYSA-N 409.494 1.719 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)F 1705475712 NZFKJVZZBXMISR-ZDUSSCGKSA-N 406.437 1.961 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1705499974 CTSUWVDXYNEYDN-HNNXBMFYSA-N 421.505 1.802 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705514083 JRNVRKZXZQECRE-UHFFFAOYSA-N 421.509 1.942 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1705589338 PFJWFKLFZPGMNC-QGZVFWFLSA-N 421.567 1.437 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nncn1C 1705593011 CANPDCIEDZJDBY-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1705610894 JCGWOYKAIFMEEX-UHFFFAOYSA-N 416.489 1.742 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(Cl)c2)CC1 1705632270 LDYONGZJPSPNCY-UHFFFAOYSA-N 400.914 1.873 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705635944 SEZLVMBBCXJYCB-OAQYLSRUSA-N 414.941 1.420 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708196 ZHAKTKJVALXYQB-PLMTUMEDSA-N 419.526 1.236 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705816287 AKUYZIHAMLJOIN-HNNXBMFYSA-N 405.528 1.467 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1nnn(C)n1 1705857104 POZMRMVPVDIXEV-QGZVFWFLSA-N 424.509 1.945 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1705906274 YSSDBXCSPAIDJG-UHFFFAOYSA-N 402.543 1.666 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1706338404 ZDCSLOYCWZGYFY-QGZVFWFLSA-N 402.524 1.848 30 10 HDEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cnnn1 1711064634 AUFBNWFKOSHHLP-UHFFFAOYSA-N 421.387 1.804 30 10 HDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1712246780 ROELEAYXLZUJGO-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1722280879 XJVUTVDGAXAQQO-STQMWFEESA-N 409.487 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1722293323 ZJZPHOGLLTXMSW-CYBMUJFWSA-N 411.478 1.496 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722340694 FWBRKQGVHDETMP-NHCUHLMSSA-N 417.510 1.763 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722368739 VNVRVSLXGUMUFF-RTBURBONSA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(OC)cc1 1722387001 OZMXKRGQEMAYEH-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(O)c1 1722428923 LPFDFFLYGQRJDX-INIZCTEOSA-N 404.492 1.020 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)NC(C)(C)C)CC1 1722432249 XOFOFDQIWJYCIN-KRWDZBQOSA-N 420.558 1.062 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)NC)c2)CC1 1722441735 PMUAHTMUUXXSSL-LJQANCHMSA-N 408.506 1.293 30 10 HDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)NC)CC1 1722580095 OTKSFBADDFFIBP-UHFFFAOYSA-N 410.569 1.585 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1csc(CC)n1 1722702187 KMAQVCRETIBHME-UHFFFAOYSA-N 417.539 1.358 30 10 HDEE CC(C)c1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1723184887 LYUTUYYQVOIREY-HNNXBMFYSA-N 411.510 1.704 30 10 HDEE CCN(CC)CCOCCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1728422146 WCISFHNETMDSEC-IBGZPJMESA-N 402.478 1.535 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1729764410 WKKURSKDKJASFU-UHFFFAOYSA-N 410.478 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1740553085 YXCMSVUUIXZPKT-ZDUSSCGKSA-N 416.482 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740556707 FPKMRAWUNBGDHC-OXQOHEQNSA-N 418.519 1.173 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1740616770 GPOICXMRJMSAKT-KRWDZBQOSA-N 411.487 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740653085 ZICSPHYFTVLBKT-KDURUIRLSA-N 409.538 1.641 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C2CC2)CC1 1740678768 RWVCHXOONMHGHN-UHFFFAOYSA-N 414.554 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2C)CC1 1740694295 FNDVWSPGFVUCLG-GOSISDBHSA-N 412.925 1.995 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccnn2)CC1 1740792639 ZZFGQTKKVUDQFK-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740880520 XSUXIDOOKXAJOU-KRWDZBQOSA-N 403.458 1.914 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC)[C@H](C)C1 1740950956 NUKORTCYDJCXNS-OAHLLOKOSA-N 405.547 1.029 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1742364305 OMIGNGNLBWGCDZ-RXVVDRJESA-N 413.478 1.700 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)C1 1745696632 UHRZTOZUTMUDIK-OKYOBFRVSA-N 418.542 1.463 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1748825946 JCSKDSPBHBSJSI-DZGCQCFKSA-N 418.523 1.370 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1748927588 ULCQGZRPHPWGRE-UXHICEINSA-N 422.533 1.590 30 10 HDEE C=C(C)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@]1(OCC)CCOC1 1749207376 JRFNEPWDLGXCJN-YJBOKZPZSA-N 400.545 1.766 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(C)(=O)=O)CC1 1749331238 GIOWCNBJJCVFLE-UHFFFAOYSA-N 420.495 1.805 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749427868 VSKASJQZVJZMNZ-HOTGVXAUSA-N 421.567 1.641 30 10 HDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1=O 1749867311 ZNWKZDWMUQIPIX-INIZCTEOSA-N 414.466 1.221 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1751927979 FBGHIIZTJVJMQQ-UHFFFAOYSA-N 402.462 1.327 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1760202714 LPAGRZHLBZNMLW-OAQYLSRUSA-N 412.582 1.519 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1760209954 KOJAONJZILEBEA-VJANTYMQSA-N 419.529 1.846 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1760260120 WCAHQLDNPOIJEB-UXHICEINSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)CN2CCCC2)CC1 1760262601 SJJCFXRIKQIBKK-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1 1760312922 GNNLRAPVYAPCJN-SJORKVTESA-N 416.526 1.197 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1760322806 XUCVFOXTWODHGY-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1764186953 ACVUNQXZYMVSKV-WNNBVUDTSA-N 422.555 1.226 30 10 HDEE CCc1nnc(N(C)CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1764739052 CLCQHTDCBJCWCS-FMQUCBEESA-N 410.478 1.882 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)c(OC)c1 1768495684 MUXULOLWVDDISX-FQEVSTJZSA-N 419.457 1.803 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CC1 1770675852 ZBHXAMWGSMWQOM-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCCO)CCO1 1771536792 BURWTNYAOUMJAF-IBGZPJMESA-N 423.477 1.259 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O 1772791126 LRNJTKGMDHAPHO-ZDUSSCGKSA-N 420.377 1.830 30 10 HDEE COc1ccc(-n2cc(CN3CCN(C(=O)c4cnc(C#N)nc4)CC3)nn2)cc1F 1848520946 NCWPHZYISWGNPR-UHFFFAOYSA-N 422.424 1.035 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1=O 1848693451 YNPUOIGKPUMLQF-HNNXBMFYSA-N 406.504 1.494 30 10 HDEE C=CCN(C(=O)CN1CCn2cnc(-c3ccccc3)c2C1=O)[C@H]1CCN(C)C1=O 1850382374 VTEJCPKOOCBEAB-KRWDZBQOSA-N 407.474 1.251 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CCc3nc(Cc4ccccc4)no3)CC2)n1 1851115707 DTSNUJSUIIJOFG-UHFFFAOYSA-N 403.446 1.603 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O)[C@@H]1CCN(C)C1=O 1854184867 BYCZZZYJLDFFIL-KGLIPLIRSA-N 410.396 1.560 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)[C@H]1C 1854283037 UTWGIIQVDTYWPC-OAHLLOKOSA-N 423.510 1.472 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1CCCC#N 1854309749 WPEWOZPPZUUHPV-INIZCTEOSA-N 418.519 1.448 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@@H]1C 1854312594 NQOHQCWTAFBODY-IRXDYDNUSA-N 405.520 1.333 30 10 HDEE CCn1nc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1C 1854342700 YWIHWKUQCPEECF-GOSISDBHSA-N 408.462 1.373 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642466 QKNAAYZRSJXBNW-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4c(OC)cccc43)CCC2=O)CC1=O 1855241036 PPICKNIPQUAWKM-DLBZAZTESA-N 411.502 1.857 30 10 HDEE Cc1cc(N2CCN([C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)ncn1 1855377700 UPSPRCWOTMILRH-LJQANCHMSA-N 404.474 1.149 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CCN(CCC#N)C(C)(C)C1=O 1855913142 YQJWGPBFQXUZSZ-CYBMUJFWSA-N 414.453 1.994 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN([C@H]4CCN(C)C4=O)CC3)CC2=O)cc1C#N 1856315209 AVISTNDLHVLISE-UXHICEINSA-N 408.502 1.798 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cnc3ccc(C)cn23)C1=O 1856755819 GJWKDWPTVRXZTD-IAGOWNOFSA-N 409.490 1.493 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2=O)C1 1857111671 HVNTUYJCKDZOQD-MRXNPFEDSA-N 406.398 1.186 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862597492 VFNQGBYZSKXJTD-MRXNPFEDSA-N 400.343 1.577 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2(CNC(=O)C#CBr)CCC2)CC1 2018703459 MVPDRKGFVKDIQG-UHFFFAOYSA-N 400.317 1.934 30 10 HDEE CO[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2090623169 DZHGNZQGEWOBRR-KRWDZBQOSA-N 423.491 1.334 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C)[C@H](C#N)C2)C1 2124736958 NFOUQJCNZZDBQN-LVCYWYKZSA-N 400.479 1.469 30 10 HDEE COCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CC(C#N)C1 2174777805 PEKBMNGDPDYDPM-OAHLLOKOSA-N 402.517 1.034 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174778817 BHULVRJOBCHRHM-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174782346 PMGFSBLWOMWKDR-SOUVJXGZSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1CO 2178914474 NVXLCHAVQKLBGL-GJZGRUSLSA-N 401.529 1.608 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 2243421744 QMYGIZQGAPYQCY-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243674002 DGLMYNQEMNBUPZ-OLZOCXBDSA-N 423.344 1.972 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cccc(Br)c1C#N 2247166374 PIWQWYPBEJNBJP-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247922065 ASJLLMUIZAXGGA-ZDUSSCGKSA-N 424.303 1.536 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258168100 HSMSYXQIYFAQFG-BDVYOWHSSA-N 408.476 1.477 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2267357036 QGJFWQWMXCDUFG-GXSJLCMTSA-N 407.750 1.702 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](N)C(F)(F)F)s2)OC1(C)C 2267374449 RTUDIRQNQZKNRP-MRVPVSSYSA-N 400.253 1.215 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](N)C(F)(F)F)OC1(C)C 2267419022 NAXPSURIYQUTAH-SNVBAGLBSA-N 400.253 1.215 30 10 HDEE N#Cc1cc(F)cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270515428 XMOPRBZZWDUZSZ-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270535484 LBCDSCSYNDMOAF-ROUUACIJSA-N 422.503 1.868 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CCN[C@H]4C3)cc2Cl)OC1(C)C 2282307183 YGTKUWYDXVNEHT-PWSUYJOCSA-N 418.777 1.683 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282347381 XKENHWFAZRDMLU-GFCCVEGCSA-N 403.331 1.523 30 10 HDEE COc1nscc1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494130 ZIAJOFNHFIZWNS-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE Cc1cc(C(=O)NCCCCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282599206 PEVHDONHKYKZRH-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CO[C@@H]1C[C@@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H]1O 2282661980 VNAFTAMOBUHSLY-ZMLRMANQSA-N 401.721 1.969 30 10 HDEE CO[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CSC 2282842294 VZAUIPFVXZNPPV-ZDUSSCGKSA-N 421.415 1.845 30 10 HDEE CC[S@](=O)(=NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(C)C 2282849586 DIJJARBDFLXIBN-RUZDIDTESA-N 405.351 1.304 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1CN 2282852357 OCYBEMVIWRVPQC-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCn2cc(Cl)cn2)OC1(C)C 2282853162 ZBUFTCRJBXQMJC-UHFFFAOYSA-N 417.749 1.876 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3(C(N)=O)CCCC3)c2)OC1(C)C 2282854421 RFBBEXHJZBVZMQ-UHFFFAOYSA-N 400.331 1.124 30 10 HDEE C[C@H]1[C@@H](O)C[C@@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282862025 XUFIZDGLOXOMIX-DYEKYZERSA-N 401.359 1.827 30 10 HDEE CC(C)CC1(O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282863760 WCABTYXJUFCJKI-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CN1CC[C@@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282867107 UCQDFZWORRHTIA-CQSZACIVSA-N 400.375 1.513 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2COC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282871324 FFWRZOMVIAKYIG-MFKMUULPSA-N 401.359 1.977 30 10 HDEE CCNCCN(C)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282871348 FQNZBTFPPTYDOG-UHFFFAOYSA-N 402.391 1.894 30 10 HDEE C[C@@H]1COCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874896 HPKDFRFYIJIOPT-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CC[C@@H]3CC(=O)O)c2)OC1(C)C 2284404052 VVJBONYFBUUJQB-ZYHUDNBSSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)[C@H]4O)cc2Cl)OC1(C)C 2286195274 MVRARTJEKPVDBE-DDFAGTSDSA-N 419.761 1.702 30 10 HDEE NC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(O)cc1O 2329654337 PZJOFANMVQQQDY-UHFFFAOYSA-N 403.489 1.996 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363528348 ROOOLLKMGMPZNG-HUUCEWRRSA-N 413.565 1.897 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2365210131 JJOPKHYHNLLSOD-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COCC)NC(=O)OC(C)(C)C 2367802615 CTNIHGNHFHFLTN-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccccc3O)n2Cc2ccccc2)n(C)c1=O 263629835 KBQZYWAIAVYWDT-UHFFFAOYSA-N 404.430 1.634 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 409482293 FBCSYOJXJGSVOT-OAHLLOKOSA-N 414.553 1.038 30 10 HDEE C[C@@H](C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409902221 FIBBWVMKZJUROI-PKOBYXMFSA-N 421.505 1.046 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n(C2CCOCC2)n1 434552092 OKWUBXMJEJEGBF-CQSZACIVSA-N 417.491 1.720 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(C#N)cc2)cc1 440187704 MKOCWNAFQSJUCG-UHFFFAOYSA-N 401.444 1.234 30 10 HDEE C=CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@@H](Cc1ccccc1)C(=O)OCC 444382162 MWYMAMQUDVIRHR-INIZCTEOSA-N 401.463 1.506 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 461322799 JLPAYOIMQJHWOG-GOSISDBHSA-N 408.524 1.302 30 10 HDEE CCOC(=O)C1(O)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 471176213 KEKRLWLQDSKCMP-UHFFFAOYSA-N 412.408 1.563 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)c1 479037183 XORZKEDNZPJWKY-CVEARBPZSA-N 410.492 1.334 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(=O)OC 481755025 YPKVOZIRNQBHTH-FZMZJTMJSA-N 401.385 1.769 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)CN2CCCC2)CC1 489145446 CRKGDEZOYDHPGQ-HNNXBMFYSA-N 415.563 1.675 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC1 503626919 KZBSPVGIDIJKLM-UHFFFAOYSA-N 404.417 1.401 30 10 HDEE CCN(CC)C(=O)CN1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505746784 ANYMNPQQIMJGAP-OAQYLSRUSA-N 408.543 1.651 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 508444280 HAIDZTCNFMPZTL-FXAWDEMLSA-N 421.505 1.755 30 10 HDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(CCC(=O)N(C)C)CC1 508886507 BGHMISUQTVSXDJ-UHFFFAOYSA-N 412.538 1.664 30 10 HDEE CCOc1cccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 513784614 VOOYGBZETAMGBQ-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE CN1CCC(C#N)(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 518299668 HBSQGEJZCFSPMI-UHFFFAOYSA-N 421.295 1.669 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C)c1=O 522675802 VANAQPXDKYLJIN-UHFFFAOYSA-N 402.545 1.269 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 548718466 RNTYLPUSBCMKEX-OAHLLOKOSA-N 401.492 1.543 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1cnn(C)c1)C1(CO)CCC1 552480401 TUJOCKSZTDBPNK-FQEVSTJZSA-N 421.505 1.904 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 570701328 KDWMABQVHCASTA-OAQYLSRUSA-N 422.493 1.987 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 573606582 DQKLGNHRIRCYAQ-KRWDZBQOSA-N 419.507 1.065 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 584628115 NKOUMMIXKXDZIW-UHFFFAOYSA-N 401.448 1.952 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)ccc1C#N 589294036 HIVZMRGVPLCERH-UHFFFAOYSA-N 421.500 1.486 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 619209542 JBDLRMZYPPXGRV-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 679755203 NIQFRKAKEAKYLP-QGZVFWFLSA-N 423.494 1.816 30 10 HDEE CCOc1ccccc1N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465078 DQUGIRGAMDVIAO-FMQUCBEESA-N 413.478 1.443 30 10 HDEE COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732911290 ZCDUWYGGPCXZLC-QAPCUYQASA-N 404.488 1.471 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)c1cc2ccccc2n1CC#N 735773875 CNRWLVFUGKYWEO-HNNXBMFYSA-N 404.448 1.167 30 10 HDEE C[C@H](CC(=O)Nc1cc(-c2ccncc2)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 743326806 OFTLZEJUICDCFA-GFCCVEGCSA-N 410.459 1.928 30 10 HDEE CN1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2Cl)CC1 746190299 HHLZJWWJMSKGKD-FMQUCBEESA-N 417.897 1.947 30 10 HDEE COc1ccc(CNC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)cc1C#N 747446595 BLDOSLBWRNAIGP-UHFFFAOYSA-N 404.419 1.999 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccc(F)cc3)c2=O)cn1 748064303 PHTGHSUCOZHIFR-UHFFFAOYSA-N 408.458 1.644 30 10 HDEE COc1ccc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1F 753929820 DHGGNYNAKXGQML-HNENSFHCSA-N 417.441 1.192 30 10 HDEE C[C@@H](CC(=O)Nc1c[nH]nc1-c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 767768626 NMBDDDUFOSCBNE-LBPRGKRZSA-N 410.459 1.928 30 10 HDEE C#CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 772149551 PTJDSOWUPWXOOA-QMMMGPOBSA-N 407.267 1.681 30 10 HDEE C#C[C@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 774284112 KNPHCLBVJBJFLJ-YJBOKZPZSA-N 411.531 1.969 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 780204117 FUYJFICDIVKWTM-HXUWFJFHSA-N 424.413 1.392 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2nnc(-c3ccc(F)cc3)o2)C1=O 783354485 JGQFMFRRPUMQBK-JTQLQIEISA-N 402.338 1.457 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C(=O)N(C)C)c2)n1 788695448 NYEXPGCJGRFJCQ-UHFFFAOYSA-N 404.492 1.055 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)n1 788810543 WAGIBTBAYXFBNK-UHFFFAOYSA-N 417.531 1.916 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790932386 DKUUAQBYHWPRGB-QSGFHZNJSA-N 423.473 1.256 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3nccs3)CC2)n1 798508926 WAGJTTSFUFWGDZ-UHFFFAOYSA-N 402.524 1.800 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 799834689 QGCFELZSYFWBPF-UHFFFAOYSA-N 421.397 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C[C@@H](O)COc3ccc(C#N)cc3)CCO2)C1 814663072 RFMPGEHCOZGARX-QGZVFWFLSA-N 403.479 1.620 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](c2cnn(C)c2)C1 849578420 MCPUTMQEHNGCGJ-RTWAWAEBSA-N 421.549 1.849 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@H]1CCCO1 916196847 JHBADXSYYJNUIV-OAHLLOKOSA-N 403.410 1.717 30 10 HDEE COc1ccccc1NC(=O)[C@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916931534 RXCNETOOJCEOKO-CQSZACIVSA-N 412.446 1.939 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 920448687 YXLOCYRIBZRSOG-INIZCTEOSA-N 417.487 1.364 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921191525 ANXGICTZESOQRZ-QGZVFWFLSA-N 408.543 1.587 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)o1 1131370219 KPEQYDJJIUBPEZ-UHFFFAOYSA-N 403.460 1.837 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)C2 1132852848 FXZPDKNTSBBDFM-HXUWFJFHSA-N 400.438 1.214 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)cc1OC 1136096027 CZVAPTULMJHXMQ-UHFFFAOYSA-N 409.446 1.367 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1136810190 SVIOSMBCLRXNIF-QFIPXVFZSA-N 418.490 1.967 30 10 HDEE COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1137848809 SIQCMGPDAXSFQE-BEFAXECRSA-N 407.492 1.649 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1141998396 NUGGIECGIOQWFE-MSOLQXFVSA-N 417.506 1.693 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 1154203671 OXNOLIFAERUYBL-IRXDYDNUSA-N 410.492 1.143 30 10 HDEE COC(=O)C1(C#N)CCN(C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1170331797 APSBCCYSJJCDHM-CQSZACIVSA-N 407.467 1.318 30 10 HDEE C#CCN1CCC(NS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 1195042808 NTWPWFPUAVVYRN-FQEVSTJZSA-N 419.547 1.805 30 10 HDEE C#C[C@@H](NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)C1CCOCC1 1253340084 LEWOMXVSZGIUNE-OAHLLOKOSA-N 419.482 1.435 30 10 HDEE COCC#CCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1264669402 SGBCONCBAGRRKI-BTOHRNCKSA-N 402.535 1.389 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC)C1 1286350224 XKPALLFRVZLCLV-SJORKVTESA-N 409.556 1.651 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)n1 1286469052 CNLKUAARDICXQA-FPOVZHCZSA-N 414.510 1.407 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnn(C)c2)CC1 1286478557 GFUOQNBIMIHUFR-UHFFFAOYSA-N 411.460 1.684 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCOCCN(C)C)CC1 1286482800 ZRVUDTQSNULUPE-UHFFFAOYSA-N 410.566 1.511 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286698399 XHBLJOFLIDJXTD-UHFFFAOYSA-N 407.544 1.505 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286789495 SVFXOWZKGBEZTR-INIZCTEOSA-N 414.485 1.273 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nncn2C)C1 1286799708 ZCWVYVKLQYVVAW-OAHLLOKOSA-N 402.503 1.155 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1286816383 ICMVYUWPFZHZEB-INIZCTEOSA-N 403.508 1.248 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOCC1CC1 1288160925 WAVNGVGEZSBKSJ-GOSISDBHSA-N 415.542 1.410 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1288195207 RSYDQCMXWBDRCR-QZTJIDSGSA-N 421.505 1.446 30 10 HDEE CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1288201015 BAITWKYDGXHIET-BEFAXECRSA-N 422.555 1.225 30 10 HDEE C#CCN(C(=O)CCN1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 1291927700 BQAXANKRGONVDU-IBGZPJMESA-N 423.966 1.501 30 10 HDEE COCCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1296941377 ZLYXSJLVJFGCDV-FWEDZOCSSA-N 400.479 1.510 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCSC2(CC(C(=O)NCCn3cnc(C#N)n3)C2)C1 1297560904 DESGVPPRSBOYKC-SHYRYGCCSA-N 420.539 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(O)(CC)CC 1300520069 GSWJYGAGXKXGIP-UHFFFAOYSA-N 404.478 1.545 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1300618551 IEZJYURMWDQWJJ-UHFFFAOYSA-N 412.523 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1CCS(=O)(=O)CC1 1300665577 NKNYYTLKDQKHBA-UHFFFAOYSA-N 420.510 1.995 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1300988612 HSUQGHCZUHNZNG-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCC(F)(F)F)CC1 1301107578 GFBQVMYDIRVDEX-UHFFFAOYSA-N 402.421 1.497 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1301273321 QLEURJBPWXQWAD-OAHLLOKOSA-N 419.555 1.554 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCC2(CCOCC2)C1 1301499265 AQDUARWBAOLIGO-QGZVFWFLSA-N 403.527 1.871 30 10 HDEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301541236 WXCQLXPVAXNOKF-SJORKVTESA-N 401.515 1.222 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC=CO1 1302096152 XKPRKWGWDKECIM-QRQLOZEOSA-N 416.526 1.871 30 10 HDEE Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1304863091 QVJIHFBLMKOJHF-KRWDZBQOSA-N 421.546 1.552 30 10 HDEE CCN1CCN(C(=O)CC2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)CC1 1307470430 KKRKLUQAZHVUNY-FQEVSTJZSA-N 406.571 1.324 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1315935327 KAOCBXRLSYETTO-LAUBAEHRSA-N 410.478 1.147 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCO1 1315935330 KAOCBXRLSYETTO-UTKZUKDTSA-N 410.478 1.147 30 10 HDEE C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1 1321743839 CNNYCJKADIKCDV-OYLHUBKDSA-N 413.434 1.530 30 10 HDEE C#CCN1CCC(C(=O)NC[C@H](CCCC)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1334844024 AOGLRNGXAYTPML-ZJKGHYPUSA-N 401.551 1.546 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c(C)nn(CC)c2C)c1 1357767166 LORHOYAWVWNJSE-UHFFFAOYSA-N 408.502 1.936 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1358913777 YFPPFMVNUVSWCN-JKSUJKDBSA-N 408.528 1.010 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1358926764 BQFAXFLUEPXRIL-OAHLLOKOSA-N 419.489 1.400 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCNC(=O)c1cc[nH]n1 1358980504 YETSNJCRJQPSKS-UHFFFAOYSA-N 401.474 1.403 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2c(C)noc2C)CC1 1359036851 LQMDZCSGLZZQIE-UHFFFAOYSA-N 405.506 1.867 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359056242 BBSBLYPAQRANSL-GUDVDZBRSA-N 419.595 1.695 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359056959 OTSFAIHPCOOJFP-AEFFLSMTSA-N 416.551 1.850 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCOCCOC 1359069182 DOSGUJOQJYIYGR-HXUWFJFHSA-N 401.467 1.661 30 10 HDEE C=C(Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1359140150 QBQIYDRLJUIEMJ-GOSISDBHSA-N 422.533 1.727 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1359203732 UXAMDLNBMMSDPT-JKSUJKDBSA-N 410.544 1.563 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359213523 XZLWWZWUZLREAB-QGZVFWFLSA-N 414.558 1.682 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1359213783 GRXIFZNCNOFVQQ-AWEZNQCLSA-N 407.478 1.470 30 10 HDEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCOCC1)C1CC1 1359246260 VXAGPKIFQCJZIP-UHFFFAOYSA-N 404.515 1.210 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359298006 JOUBGNUTWGAFHY-UHFFFAOYSA-N 410.482 1.194 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN2CCCC[C@@H]2C1 1359336132 GIVAQYOSTAVUDE-IAGOWNOFSA-N 409.556 1.405 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)[C@@H](C)C1 1359397271 YKRZFBSRTHPWIQ-HNNXBMFYSA-N 410.478 1.311 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3c2ccc(F)c3Br)C1=O 1436332290 YIYCBCHUKSEDDF-LBPRGKRZSA-N 424.226 1.669 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(CCNS(C)(=O)=O)s1 1437439348 CZJCHQIKBANSML-UHFFFAOYSA-N 400.522 1.257 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(=O)OCC 1438401642 KGJHZDIXZMVZAT-AWEZNQCLSA-N 400.884 1.813 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1 1448913768 LTDHZKYJCCCGER-GOSISDBHSA-N 417.531 1.702 30 10 HDEE CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(O)nc1=O 1455127359 ZMDPKJZOFZXXFX-GFCCVEGCSA-N 415.837 1.163 30 10 HDEE CC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1460552101 GWXIJAORYOPSSZ-SFTDATJTSA-N 415.513 1.525 30 10 HDEE N#Cc1c(CCCNC(=O)CCN2CC[C@@H](F)C2)nn(-c2ccc(F)cc2)c1N 1464100285 JREDRQZVVWJXGX-OAHLLOKOSA-N 402.449 1.948 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(Cc3ccncc3)CC2)c1 1464230683 QFNTZWOHYBCBLU-UHFFFAOYSA-N 415.515 1.756 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464920783 AWLNYLIYBIJNOZ-IBOXJLQUSA-N 418.494 1.809 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCC(=O)NCC(=O)c2ccc(OC)cc2)CC1 1467990381 BJWRVURSJQQXAC-UHFFFAOYSA-N 415.446 1.080 30 10 HDEE C#C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1468451680 RUVAABQGWQFMBB-AWEZNQCLSA-N 401.220 1.464 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)N1C(=O)CCC1=O 1469884940 JBDMIGXIEVXHTC-AWEZNQCLSA-N 406.446 1.134 30 10 HDEE COC(=O)CC[C@@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1471681407 RJWSIFUXIJRSQC-HNNXBMFYSA-N 407.492 1.602 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1475380015 WJJFTIJCDLMBRH-IBGZPJMESA-N 406.504 1.699 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CN(C)CCO1 1478171153 FNHNPTXNZIGSKD-OXQOHEQNSA-N 423.521 1.499 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1504886989 PUKSCIJDEZSPSP-JXFKEZNVSA-N 400.483 1.978 30 10 HDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1Cc1cn(C2COC2)nn1 1504888681 YGFMCDWKRNPUEC-UHFFFAOYSA-N 400.487 1.513 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507596669 MNRLRECXXSXKMQ-DFQSSKMNSA-N 414.554 1.532 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccc(OC)cc1 1507600046 BGFBBMDSXCYLNU-HNNXBMFYSA-N 419.551 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[S@@](=O)CC 1507646808 YOCXULCKAMJIEN-NDEPHWFRSA-N 400.504 1.804 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1507723525 LEHNRGLJOGNMGL-UHFFFAOYSA-N 413.547 1.557 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)C2CC2)CC1 1507739048 LKGIMVHWHDFSEG-JTSKRJEESA-N 415.538 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1507741333 PZOSQVWFEZHHRV-KKSFZXQISA-N 405.543 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508143420 YKGIXOSUHXHJGX-AWEZNQCLSA-N 411.528 1.423 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCc2oncc2C1 1508144283 OXNRORZPKUNPCE-UHFFFAOYSA-N 414.491 1.415 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1508261019 PEZSTNHSQUMQLY-UHFFFAOYSA-N 422.489 1.744 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508406114 FQORAQGEHBDCIT-GOSISDBHSA-N 424.509 1.249 30 10 HDEE CC(C)OCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1509848952 BVNXSTMVCZBJLI-CVEARBPZSA-N 411.528 1.114 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1515096482 NISUZYIEARGFSY-SFHVURJKSA-N 419.493 1.776 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1519529868 FEVHNZJXTXILQO-UHFFFAOYSA-N 412.475 1.540 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 1524475086 GLDQJACVJSPZLA-OAQYLSRUSA-N 407.511 1.296 30 10 HDEE CN(C)C(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(F)(F)F 1528148815 GTOIQDZSPOYKST-MRXNPFEDSA-N 419.425 1.903 30 10 HDEE CC[C@H](C#N)N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1530064256 FOYZYSCQGSRGEN-CXAGYDPISA-N 407.268 1.977 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1533635294 UHPZFFRUWQUWJV-MRXNPFEDSA-N 418.515 1.746 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)c3cnc4c(c3)c(=O)n(C)c(=O)n4C)c(C#N)cc2C1 1537836355 KANGWZKXOGNCMG-LLVKDONJSA-N 404.430 1.276 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539215876 KTIAASIDIPZPJH-ULQDDVLXSA-N 414.535 1.798 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1539220439 SHDMMYKNRQOIDP-KDOFPFPSSA-N 408.549 1.436 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1 1539266458 QUABXHHQUDDGBN-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1539370569 XLKZZTUUAKAFBK-CYBMUJFWSA-N 405.471 1.116 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCOCC)CC1 1539490236 UKERMEBVKWFMSL-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1540173901 DKBISYLWSIFIGR-MRXNPFEDSA-N 407.540 1.546 30 10 HDEE CC(C)C[C@@H](C(N)=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832344 LSWTXQUIXFLARF-HNNXBMFYSA-N 400.458 1.662 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1540867358 SMRDJJQCIAZUFG-UHFFFAOYSA-N 407.478 1.224 30 10 HDEE C#CCN(C(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1543462045 JILOBAWYVVNXOF-ROUUACIJSA-N 418.515 1.683 30 10 HDEE CO[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1555174026 BAAKXTUQPCQGJE-QBHGPPCGSA-N 414.510 1.933 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1555271096 ZIGWMNZDXZDFGO-XJKSGUPXSA-N 409.487 1.671 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1555820379 CYYCYFIKKLJORD-AREMUKBSSA-N 403.533 1.297 30 10 HDEE C=CCN1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)C1=O 1560788755 CMAPGDFJAGWSJK-CYBMUJFWSA-N 402.314 1.315 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1565156587 MFYVANTVKJHMAZ-MRXNPFEDSA-N 413.927 1.784 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1566673247 CVBYZNICENTRHV-SJORKVTESA-N 406.527 1.058 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583407901 IDTMCTXYJIVLAQ-MFKMUULPSA-N 423.413 1.240 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)COC1 1584638078 RFZUJPQDFOXRGM-UHFFFAOYSA-N 415.494 1.722 30 10 HDEE NC(=O)c1ncn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1585625364 MVQBRZBSAQWFPW-WDSKDSINSA-N 421.248 1.006 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1 1586822945 CTOXFJALKWQFRO-VQIMIIECSA-N 409.467 1.697 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(CCC#N)CC1 1587545789 CMYOKKKIPFLKAI-KRWDZBQOSA-N 409.531 1.100 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC=C 1587580518 QJYLDOHZRHYEBZ-CQSZACIVSA-N 413.478 1.731 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCCC1=O 1587905243 YVZPSHDTLGBRCH-UHFFFAOYSA-N 408.506 1.656 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)NC)CC1 1589042678 KCODPNXZUATHTJ-UHFFFAOYSA-N 402.499 1.912 30 10 HDEE C#CCSCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1589054155 ZDRWNVRVJSMWLT-SFHVURJKSA-N 424.530 1.744 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1589059231 CQSNXRIQWWRICU-IRXDYDNUSA-N 422.576 1.513 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCN(C)CCOC 1589162187 BRKMHUSTQGBRCK-YADHBBJMSA-N 419.570 1.889 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 1589481771 CBKHACLIBADOKW-JSGCOSHPSA-N 414.304 1.237 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1595218022 FFOFZHBGBYNUQB-KRWDZBQOSA-N 416.551 1.868 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccsc2)C1 1595674189 NRRNADPVPCTHQA-ZFWWWQNUSA-N 411.553 1.779 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CC3)cc2C1=O 1596596114 OANRIKQHRDKXSX-UHFFFAOYSA-N 419.503 1.449 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1611614743 FBSCRGSHQZSPTQ-ZACQAIPSSA-N 401.515 1.080 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNC(=O)C(C)C 1615741181 DFHZJSVTWAHYAG-UHFFFAOYSA-N 421.509 1.685 30 10 HDEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1616767959 OMXDDRNFZUJTQA-ZCXUNETKSA-N 413.482 1.471 30 10 HDEE C=CCOCCCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1617912226 XRCKGSQUNNVSKJ-QGZVFWFLSA-N 411.480 1.847 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1618666489 ZCPRWLBQUJTKFC-JOCHJYFZSA-N 421.505 1.257 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1scnc1C 1620025027 MTEVKBUQRMSQOP-GJZGRUSLSA-N 406.512 1.739 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cnnn1-c1ccccc1 1621636232 FWNKXVSYSDKRMB-UHFFFAOYSA-N 410.503 1.891 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1629734012 ZKJHZWUXUZIYSE-KRWDZBQOSA-N 421.519 1.941 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCN1Cc2ccccc2OCC1=O 1634385781 HSLWWCCDPCDPOJ-UHFFFAOYSA-N 409.490 1.884 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C3CC3)[C@H](CO)C3CC3)C2=O)cc1 1636116752 COCRFRNIRUZFGE-QWFCFKBJSA-N 410.474 1.677 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1638046256 DDIUHKXHLYIGJO-DZGCQCFKSA-N 409.895 1.600 30 10 HDEE Cc1cnc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 1638323135 RQXDEUVEVZFFLV-UHFFFAOYSA-N 413.503 1.786 30 10 HDEE CC[C@H](CNS(C)(=O)=O)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1640968868 RBJOUTWBETUTOB-OAHLLOKOSA-N 401.529 1.081 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1C#N 1641124976 ZRFFNNAWSKGOIN-GFCCVEGCSA-N 400.430 1.920 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)c2ncc(Br)cc2C#N)CC1 1642195498 FKBBEZGTEYAJSH-UHFFFAOYSA-N 409.284 1.954 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)CC(=O)OC(C)(C)C 1643725978 SBNDDKQODXHLHN-UHFFFAOYSA-N 409.508 1.119 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)c1 1646046917 ZXAAPVUFTQJAER-UHFFFAOYSA-N 412.393 1.469 30 10 HDEE C[C@H](CC(=O)N[C@]1(c2ccccc2)C[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1651445098 VFZYDXKJKZMDMU-NVAPDCRFSA-N 413.499 1.670 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1652332195 QUVWRVUMYXPALO-VMWRSERWSA-N 419.551 1.854 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1C(=O)OC 1656493098 IJAOEIZCGRSSNL-IYBDPMFKSA-N 421.881 1.789 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1665734458 ZHZJADAALIQERQ-LJQANCHMSA-N 420.531 1.968 30 10 HDEE CC(C)(C)c1nc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cs1 1671245265 JEFMEQQYUXSVMV-UHFFFAOYSA-N 402.480 1.384 30 10 HDEE Cc1cc(NC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)nn1CCC#N 1675916829 CBPLZPNRNSRFHV-UHFFFAOYSA-N 417.514 1.874 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 1680778745 LPXCHEWLCSNVFP-XLIONFOSSA-N 400.504 1.577 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)NC1CCN(c2ccccc2C#N)CC1 1684021542 MHQRVFYBZAAOLW-UHFFFAOYSA-N 413.400 1.779 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1684915010 DSYPNALJYCLXJQ-KOMQPUFPSA-N 413.540 1.606 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2ccnc2)c1 1689998472 NBWNOJVNQPYQNM-UHFFFAOYSA-N 415.501 1.782 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@](C)=O)CC2)CC1 1690117790 WAMNFDQLWVSGPT-NDEPHWFRSA-N 418.954 1.660 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1690126183 UUGPCKCQETXTNT-UHFFFAOYSA-N 414.941 1.804 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1690236754 QVZKIUHZUCSMCU-NJAFHUGGSA-N 418.542 1.455 30 10 HDEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1690447764 WLPOUFZFHMZAGR-NRFANRHFSA-N 404.559 1.763 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690495555 DUGWRNVYOYINGT-LAUBAEHRSA-N 419.526 1.491 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1690515946 XUHQQZAAFMJUQN-AWEZNQCLSA-N 420.539 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cnn(C)c1C 1690722597 OXKUAGSTJHQJKD-UHFFFAOYSA-N 416.511 1.014 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1692539359 LGSXDYDMHXIPNI-CABCVRRESA-N 423.468 1.017 30 10 HDEE CCc1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694656815 TYPGGFGWZGTXIT-HNENSFHCSA-N 410.482 1.269 30 10 HDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1694760795 SBAUVXQWDGVHPK-IRXDYDNUSA-N 423.477 1.278 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCCN2CCC[C@@H]2CO)cn1 1696851745 ZDLLRHVKRXOQHM-LJQANCHMSA-N 412.542 1.655 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1705528466 HACBUPVEKQAEGD-UHFFFAOYSA-N 406.490 1.962 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705532874 GNGWZJBIXHSFOM-IBGZPJMESA-N 424.553 1.440 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705533113 IMMKQYCQYRDSTC-QGZVFWFLSA-N 413.526 1.369 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1705736163 MNEXPNDCEAGGQQ-QGZVFWFLSA-N 414.514 1.330 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705747540 ORTSZWZEUNGFMO-GOSISDBHSA-N 417.857 1.709 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSC[C@H]1C 1705899044 GRNFZFOMFBUWDZ-CYBMUJFWSA-N 401.492 1.918 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705906573 JIQRKCWOLNHHPC-MJGOQNOKSA-N 413.522 1.983 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCN(CC(F)(F)F)CC2)nnc1C(C)(C)C 1705909030 KLQILVMZWFGNNT-UHFFFAOYSA-N 402.465 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](CCOC)C1 1705932785 ZQGNNNQIIFPRET-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1705943594 FRSPWPHPNZMJNL-HNNXBMFYSA-N 406.556 1.453 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1706058415 ACPZXSPGNDKOIS-IRXDYDNUSA-N 410.434 1.457 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1706073219 LQSVPOUOIWSNRO-MUWSIPGASA-N 418.523 1.903 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCC2)CCOC1 1706678148 CQRXUVFGTOXDLS-OXQOHEQNSA-N 405.499 1.353 30 10 HDEE CCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)C1 1710235051 OMXVSEAEHJOACW-OWSLCNJRSA-N 404.515 1.073 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1710456445 BBXYVUAJVACMKP-LSTHTHJFSA-N 423.489 1.568 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1711301234 MBULJHQCLUMDPU-FHLIZLRMSA-N 412.494 1.175 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC2CCOCC2)C1 1712876656 RZVJTVRMBDCQGP-IBGZPJMESA-N 401.446 1.763 30 10 HDEE C#CCCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1722339080 POLJHTXICRKEFX-NRFANRHFSA-N 413.526 1.852 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1722353600 YDCOISHHHUOKHC-MRXNPFEDSA-N 404.540 1.603 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1722353675 YXQKMGHHIYIQDI-DLBZAZTESA-N 417.535 1.680 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722363511 GDUFCEJMZIKNLX-LPHOPBHVSA-N 410.540 1.355 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)CCC)CC1 1722435783 OXFVISBWFMJNEC-QFIPXVFZSA-N 411.506 1.980 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCCC2)CC1 1722436280 BTOKSUBJNMRXJR-GOSISDBHSA-N 400.527 1.334 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1722446205 ATFAYZVWNMIPMJ-UXHICEINSA-N 424.549 1.927 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(-c2ccccc2)c1 1722447341 KJNOBOSQPZHNGT-IBGZPJMESA-N 419.489 1.549 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722534950 TYBYFACSZFOBSQ-OAHLLOKOSA-N 408.528 1.384 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)OC(C)(C)C)C1 1722709951 ZOEBEHYAJJVVJU-HNNXBMFYSA-N 422.530 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN2CCCS2(=O)=O)C1 1722718828 NVGHEINKEPWRPE-MRXNPFEDSA-N 411.572 1.684 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(O)CCSC1 1730947008 TUKBPYJOGAPOFB-ZZCKCESHSA-N 411.503 1.312 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740552189 NNIFGZAGSZSGKO-UYAOXDASSA-N 423.565 1.825 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740576455 XTHBLOSWFUMBBA-HNNXBMFYSA-N 400.483 1.106 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC23CCC(CC2)C3)CC1 1740690706 LNYJCHQVNVYJIR-ZRZPHAQCSA-N 420.583 1.224 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740715795 NZEJORUNWKJQCW-KRWDZBQOSA-N 424.534 1.512 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1740735897 AAWVPJSAPIEEHB-TXEJJXNPSA-N 402.293 1.175 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740788664 VLUMVVPJVXAOEK-PXNSSMCTSA-N 404.559 1.558 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740792201 VRSANTBXUIHKAQ-QGZVFWFLSA-N 410.482 1.430 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740816691 KXUSSKOUYWGSNC-MOPGFXCFSA-N 409.918 1.788 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCOCC1 1740963890 AGSMIEGXXNKPLH-UHFFFAOYSA-N 401.467 1.395 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748382466 MNBBQXBWQSPPEK-YWZLYKJASA-N 415.519 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1748639597 JZJMCWXZXPNXSI-HOTGVXAUSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)COCC2)[C@H]1CCS(=O)(=O)C1 1748805127 ORQPCLSALLFRTJ-IBGZPJMESA-N 400.504 1.334 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1748817137 FUZDJMGQIWHCPI-JKSUJKDBSA-N 400.504 1.643 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1CCOC1 1748830909 ACYMZNKEIPKKMJ-KRWDZBQOSA-N 412.515 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1748891047 YXOBUHCYEODEOZ-SFTDATJTSA-N 412.582 1.519 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C(=O)NC 1749082796 GWKJJKAJIZRJQU-LLVKDONJSA-N 413.320 1.241 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1749130752 NLBQFSWKTFOTQN-NVXWUHKLSA-N 413.588 1.833 30 10 HDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1749181012 ITYMLUKMSQCLBA-SJLPKXTDSA-N 410.478 1.623 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1749234222 CBIDXRPVDGRPQK-HNNXBMFYSA-N 416.507 1.591 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749268691 FMTBFDSCXUVSOB-JKSUJKDBSA-N 409.918 1.752 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnnn1CC1CC1 1749499362 GAZSKZJHQUIXOL-UHFFFAOYSA-N 413.511 1.337 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1749539263 XMXLGHHNOQOLGQ-HTAPYJJXSA-N 408.506 1.900 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1749575657 VUFNAPIADGFCKC-DLBZAZTESA-N 416.551 1.818 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CC(=O)NC(C)C 1749681933 LBMFWSNPHUBCMV-CRAIPNDOSA-N 420.558 1.460 30 10 HDEE N#CCSCC(=O)N1CC[C@@]2(CCCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1760001438 AKPUCBYZVGFKJL-VYUOOHEOSA-N 403.548 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760106423 CKXNPJDUDNLPEO-WBVHZDCISA-N 412.519 1.556 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760144479 QMWHIWJNXRIMOK-SFHVURJKSA-N 416.570 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCCC2)CC1 1760269953 QFUAQRNJIZGIAQ-GOSISDBHSA-N 415.538 1.443 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760279663 DGIYWVAKESWDSC-UHFFFAOYSA-N 410.547 1.947 30 10 HDEE C=CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1760430641 PAGLUHRHPQEPQE-JXFKEZNVSA-N 407.515 1.238 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760449017 XMHUURWPXNEUEE-SFHVURJKSA-N 413.526 1.863 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1760462062 PECPIURQNVSPCU-UHFFFAOYSA-N 402.480 1.651 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)C1 1760534443 YNYSETKPECANRT-GOSISDBHSA-N 418.542 1.018 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C1 1760534694 DWJHYMMOCVNIDH-KGLIPLIRSA-N 410.500 1.014 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1761258301 OQRGXPNOYHXBDU-HZPDHXFCSA-N 410.434 1.455 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1)OC 1769237675 GVOKWGOHONMFHN-SNRMKQJTSA-N 415.494 1.718 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1770157878 VVIMSIZVASZPJX-GOSISDBHSA-N 410.478 1.291 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)C(C)(C)C 1770173275 OJAADOMJHYSMOW-JYJNAYRXSA-N 406.531 1.903 30 10 HDEE C=CCN(C(=O)c1ccccc1C(=O)N1CCN(C(C)C)CC1)[C@H]1CCN(C)C1=O 1849837251 LIADPNFZAHVTLS-FQEVSTJZSA-N 412.534 1.712 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCN(C(=O)c4cccc(F)c4)CC3)cnc2c1C#N 1851414901 IIKORJURWYJATD-UHFFFAOYSA-N 406.421 1.955 30 10 HDEE Cc1nc(C(=O)N2CCC(S(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1852387337 IGTHDJHHIKSNDN-UHFFFAOYSA-N 400.298 1.982 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1854123547 OYCPOULFRLTPCC-JKSUJKDBSA-N 417.510 1.567 30 10 HDEE Cn1nc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1-c1cccs1 1855010047 MNVKRXCYDIMQPR-HNNXBMFYSA-N 412.519 1.421 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)Cc3cc(-c4ccccc4)on3)C(=O)C2)C1 1855037641 ANGYQXBVHKKTBW-IBGZPJMESA-N 407.474 1.543 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCCC2 1856217169 WIKLYLYQPJTOPV-MRXNPFEDSA-N 416.547 1.833 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)Cn3cnc4ccccc4c3=O)C1=O)CC2 1856524880 LATSMRGYHCVWDI-QAPCUYQASA-N 405.458 1.150 30 10 HDEE N#Cc1ccc(OCCN2CC[C@H](N3CCN(C(=O)C4CC=CC4)C(=O)C3)C2)cc1 1856728483 JKXPNUOZULZZJN-FQEVSTJZSA-N 408.502 1.648 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCN3CCCC3)C3(CCCC3)C2=O)CC1=O 1856834892 FZNLAVZLXIIYLG-GOSISDBHSA-N 402.539 1.100 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(Cc4ccccn4)C3)CC2=O)cc1 1856845645 IZFDRRJJPLLMCY-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CC2CC(F)(F)C2)C1=O 1857144324 QNERIEKORTUIEH-OAHLLOKOSA-N 404.421 1.032 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2)CC1 1857207987 PMAPSBWGQLYWOK-MSOLQXFVSA-N 409.490 1.578 30 10 HDEE O=C(/C=C/c1ccc(Br)cc1F)C(=O)NCCN1C(=O)CSC1=O 1860736691 YOHDIQUEBXUYFB-DUXPYHPUSA-N 415.240 1.982 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 1861615724 CYFHUMCNWYGNSA-QYZOEREBSA-N 413.518 1.428 30 10 HDEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593478 CJGWJCRJBOAKKC-UHFFFAOYSA-N 400.483 1.085 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)ON2C(=O)c3ccccc3C2=O)C1 1880978416 MOVZAFDSJLECCB-HXUWFJFHSA-N 404.419 1.893 30 10 HDEE C=C(Br)CS(=O)(=O)NCCOCCCNC(=O)OC(C)(C)C 1962316223 PTDPPHHYRBTKOI-UHFFFAOYSA-N 401.323 1.746 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1962344441 CMENRQUQMYQMKS-LLVKDONJSA-N 401.323 1.384 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC12CCOCC2 1965777580 NEUQDUOHPZXKLY-CQSZACIVSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995108940 BYYYSBASBRYJSH-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE CN(Cc1nnnn1C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116137639 AWTIXZCDFPFSCX-UHFFFAOYSA-N 409.097 1.303 30 10 HDEE COC[C@@H]1CC[C@H](n2ccnc2CCN2C(=O)c3ccccc3C2=O)C[C@@]1(N)C#N 2183615893 IIKSQMQCQMELFB-PONJGIIJSA-N 407.474 1.930 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC(C)(C#N)CC1)NC(=O)OCc1ccccc1 2270536635 WEOPCKDTQGHPPK-INIZCTEOSA-N 423.491 1.410 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@@H]3CNCCO3)sc2Cl)OC1(C)C 2281967581 ZDXQZLCCVBZJNT-LLVKDONJSA-N 400.737 1.809 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N=[S@@](C)(=O)N2CCOCC2)OC1(C)C 2282030763 KFBZJJDDYBLDRG-AREMUKBSSA-N 400.331 1.533 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)CC1CC1 2282313215 IGEZXEMSGNELPA-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@]23COC[C@H]2C3(F)F)OC1(C)C 2282347317 WKHZENNWAZRTIP-YGRLFVJLSA-N 407.269 1.360 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@H](N)C3)c(Cl)c2)OC1(C)C 2282410683 XUWZIEJFODTWAQ-BJHJDKERSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@]2(C)C(F)F)OC1(C)C 2282494114 WVEHVDFSAJOXNK-BONVTDFDSA-N 408.301 1.905 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCC[C@@H]2O)OC1(C)C 2282499769 FTCOTFWJECNAHP-AAEUAGOBSA-N 402.347 1.165 30 10 HDEE CN(CC(C)(C)CO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505336 BTMXQEOANCDQML-UHFFFAOYSA-N 403.375 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1N(C)C 2282826333 QGGQNNCQTAYKTP-QWHCGFSZSA-N 400.375 1.727 30 10 HDEE CO[C@H]1C[C@@H]1CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842567 ACVBCKUPGUWUOG-KGLIPLIRSA-N 401.359 1.844 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCN(CCF)CC3)c2)OC1(C)C 2282847647 BSTMIZDBHBWREN-UHFFFAOYSA-N 404.338 1.323 30 10 HDEE CSC1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CC1 2282853825 JTAQPDLSQDUOSA-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CCN(CCS(C)(=O)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858765 CEPHZFDMPQRUID-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3C[C@](F)(CN)C3)c2)OC1(C)C 2282861021 JLYODCIROLUGLP-AITUWYQGSA-N 404.338 1.403 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@](C)(C(=O)O)C2CC2)OC1(C)C 2284398480 YNIDOOIXVRXKJZ-INIZCTEOSA-N 401.315 1.579 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2C[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284411361 JGEVSFZSKJCPSK-WDEREUQCSA-N 401.315 1.355 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)[C@@H]4O)cc2Cl)OC1(C)C 2286195275 MVRARTJEKPVDBE-IWIIMEHWSA-N 419.761 1.702 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288909885 JJGOMBFOEZZEKC-KBPBESRZSA-N 401.359 1.722 30 10 HDEE C=CCN1C(=O)C(=C2SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21 2297455778 UZSKYOZQYNSWPF-UHFFFAOYSA-N 410.498 1.678 30 10 HDEE Cn1nc(I)cc1[C@@H](CN)N1CC[C@H]2SC(=O)C=C2C1 2361038506 VFIJJZKTCJLJME-GHMZBOCLSA-N 404.277 1.299 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2c(Br)c(Br)nn2C)C1 2364056975 WNDHJLWCHJJMBZ-VIFPVBQESA-N 404.106 1.773 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2365203085 HLECKNRMWFXMMI-YZVOILCLSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2365203372 SIBAGJQYLXUPDE-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2365207961 QXXOXWZFLZSAJB-CABCVRRESA-N 402.557 1.552 30 10 HDEE C=CCC1(N[C@@]2(C(=O)O)CCS(=O)(=O)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2379627949 OKSYHWPMRQUEEQ-UGSOOPFHSA-N 402.513 1.562 30 10 HDEE COc1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)cc1 22694898 ZREHVAFDJFAJIT-UHFFFAOYSA-O 416.523 1.549 30 10 HDEE C=CCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 65152043 AQGPDNOMVBDQLN-UHFFFAOYSA-N 417.535 1.464 30 10 HDEE COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 97664407 OXJSBIKBKNTFOZ-LYDGKGFFSA-N 401.463 1.811 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)n1cnc(C#N)n1 409460728 VERUWTWMHGCMQZ-LBPRGKRZSA-N 404.377 1.297 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccn(C2CCCC2)n1 432318948 WBNODRDTLNDXHG-AWEZNQCLSA-N 401.492 1.853 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)c1 465489161 GEFVXCACQOUJSW-AWEZNQCLSA-N 415.475 1.343 30 10 HDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 467068544 FNUNVIYNINQQAQ-GUYCJALGSA-N 416.869 1.423 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(OC)cc1OC 472621683 XUPQUFHSKCCGCV-QGZVFWFLSA-N 408.407 1.907 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCN(Cc2ccccc2)CC1 479271396 GANXZNOWOURIHY-OALUTQOASA-N 408.502 1.836 30 10 HDEE CNC(=O)c1cccc(CCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486003940 MQBQMMVDJODUIY-HXUWFJFHSA-N 404.470 1.768 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(C)n1 499907130 GTNWJERKVUHZJU-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1 503625060 DTPHOKICYDZYRI-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n(CCC#N)n1 521873092 FDWNPNNBKLYJMV-IBGZPJMESA-N 406.446 1.519 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1 524518484 DTIRFJFGFKJBED-UHFFFAOYSA-N 414.428 1.843 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 538052157 QBIRNGPOMHVSND-AWEZNQCLSA-N 403.460 1.892 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2CC(N)=O)CC1 538351091 XBWPDCPPWBPETN-OALUTQOASA-N 401.486 1.264 30 10 HDEE C[C@H](c1nc(N)nc(=Nc2ccccc2)[nH]1)N1CCN(c2cccc(C#N)n2)CC1 544881693 MUKOEYLNPYSMMW-OAHLLOKOSA-N 401.478 1.769 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@H](Oc3ccc(C#N)cn3)C1)C2=O 561099120 DKZCTXJBRHHDNM-JERHATOGSA-N 411.462 1.434 30 10 HDEE COc1cc(CNC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)ccc1C#N 580925712 YAIXTBSNIXWTHU-HXUWFJFHSA-N 407.474 1.621 30 10 HDEE CCCCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862929 FAYXAVMJNVHLNZ-UHFFFAOYSA-N 402.470 1.859 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)CC2)nc1 588122100 FLHXAIULONRXQP-UHFFFAOYSA-N 410.400 1.338 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1C[C@H]1CCCO1 603800569 ZBJNGSBSCAUZJT-GOSISDBHSA-N 423.538 1.456 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CC1 605408354 NRPNZUORINHXOF-UHFFFAOYSA-N 401.511 1.620 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2C(F)(F)F)CC1 611432667 KECJVZUYBRPCLO-DLBZAZTESA-N 414.403 1.798 30 10 HDEE C[S@@](=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 613695293 DHEVNBMZICXOOT-HHHXNRCGSA-N 417.512 1.442 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 727863858 YYWUKQJCWRKADV-NRFANRHFSA-N 409.530 1.974 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)ccc1F 732174647 GZCNKRZUFKJBJA-MRXNPFEDSA-N 423.510 1.765 30 10 HDEE CCN1CCN(c2ccccc2NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732234016 PUUFATBQOBTCOK-FMQUCBEESA-N 412.494 1.476 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCOc1cccc(C(F)(F)F)c1 732447847 FFQWNUXMJSUQRQ-FOCLMDBBSA-N 412.368 1.910 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CCN1C1CC1 732673654 CXKOLIPDZQCHCR-JOCHJYFZSA-N 410.566 1.971 30 10 HDEE Cc1cc(NC(=O)CN2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)no1 739839206 RYYCAYHYRPAMNB-UHFFFAOYSA-N 420.477 1.635 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@@H]1c1cccnc1 740923649 LPCBPUQKHWGRKV-APWZRJJASA-N 420.473 1.687 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 744838867 FMGZRWNZBUVTOT-QGZVFWFLSA-N 406.464 1.217 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 749365653 YDNIZNWMSXAOPP-SFHVURJKSA-N 414.506 1.980 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 755556481 ZQFGZSGLUPURKV-ABAIWWIYSA-N 406.414 1.648 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761679823 HRMUZWONOIFYHV-VQTJNVASSA-N 413.522 1.584 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)cc2)c1N 763775278 NBQTZOYYBDGEID-ROUUACIJSA-N 407.430 1.884 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)cc1C#N 774339398 XZPOMIDQMVIGCE-UHFFFAOYSA-N 416.459 1.502 30 10 HDEE C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCN1CCO 779405651 RPDBADSDYIUPTI-BAOKRACBSA-N 423.539 1.030 30 10 HDEE COc1ccc(N2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780205006 JODLANWLVXAKQG-OAQYLSRUSA-N 409.442 1.492 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccccc1O[C@@H](C)C#N 780672080 ZBYXHGSHIMGOPS-NXQUOZRTSA-N 401.419 1.934 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 788579759 YGSGNTGWWGQJIQ-NDWLXSOOSA-N 419.507 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)csc2C(=O)OC)n1 788694397 PFZUYALJJXOODF-UHFFFAOYSA-N 411.505 1.510 30 10 HDEE CN(C)[C@@H]1CCOc2c(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cccc21 790242585 PIFWYEQSTXTDQF-MRXNPFEDSA-N 414.487 1.749 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c1 790685281 KGPZSFVMHPWHNK-JOCHJYFZSA-N 411.458 1.706 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Oc2cccnc2C#N)c(OC)c1 795283306 ONFKIULUXGINAZ-UHFFFAOYSA-N 411.461 1.881 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCN(O)C3=O)c2)c1 816692359 MJDHIPKYRKKKAE-MRXNPFEDSA-N 403.460 1.824 30 10 HDEE Cc1nc([C@](C)(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817631481 NZDVHTKWRKKCCC-GOSISDBHSA-N 403.464 1.248 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 916774684 BUSOWQJOBQZLAS-HZPDHXFCSA-N 403.460 1.070 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)N3CCCC3)CC2)cc1 916778311 YKOGIFKAZLQIRH-UHFFFAOYSA-N 404.492 1.432 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cnc21 916937785 GFUQGATZHUCUNM-SNVBAGLBSA-N 402.773 1.270 30 10 HDEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 917101350 SJCNHJAFLRJHSF-AWEZNQCLSA-N 409.494 1.774 30 10 HDEE COc1ccccc1C=NNc1nnc(SCC(=O)NCc2ccco2)n1N 1084503305 XFQIIFMNAZIZOJ-UHFFFAOYSA-N 401.452 1.448 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1128108975 FVIJPDSKWKBZDD-CVEARBPZSA-N 413.268 1.636 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 1128437811 WJZHAJKZMQIFND-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE Cc1nc(SC(F)F)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134429323 XXJYLNVYWFHBDV-LKFCYVNXSA-N 407.489 1.706 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)CCCCCCS(N)(=O)=O)CC1 1136086331 QZAHBRMZVPZAPR-UHFFFAOYSA-N 409.512 1.311 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4c(O)nnc4O)cc3)cc2C1=O 1140222447 QMWOHINCBFVXKS-UHFFFAOYSA-N 405.370 1.713 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C4CC4)nc3O)CC2)cc1 1141413684 DJEHNDIJCIJWGP-UHFFFAOYSA-N 412.471 1.683 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC 1151573844 LZLINPXOMZXWER-IUODEOHRSA-N 413.883 1.416 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(C(=O)NO)cc2)c1 1155846818 FOPDTICLWQMKRX-UHFFFAOYSA-N 423.466 1.904 30 10 HDEE COC(=O)C[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1160599143 FVSZFLJITPIXCV-WZHMAMEKSA-N 421.494 1.564 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H](NC1CC1)C(F)(F)F 1161891528 WFYKOFPDSSIMEV-IAQYHMDHSA-N 418.441 1.414 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccc(Oc3[nH]c(=O)n(C)c(=O)c3C#N)cc2)s1 1162146233 HTMSOHVCKMRPKI-UHFFFAOYSA-N 418.456 1.908 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)NCCCC)CC2)CN(C(=O)OC(C)(C)C)C1 1169678153 HFJYKIVYUIXJDI-UHFFFAOYSA-N 422.570 1.860 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H](NC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1171285540 BWYCEDLMVQHYOG-LJQANCHMSA-N 412.534 1.720 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC[C@@H](CC#N)C1 1171910891 AYWSUZACBUXWGD-GJZGRUSLSA-N 408.524 1.898 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)OCC 1176173553 VEHOUBSFCGAHRC-OAHLLOKOSA-N 404.435 1.647 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)NC[C@H]1CCCN(CC#N)C1 1182822644 JZBXDBOUIWSDPH-MSOLQXFVSA-N 401.511 1.869 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1190725617 SQPIRVBGTPNFGM-UHFFFAOYSA-N 407.517 1.072 30 10 HDEE C=CCC1(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCCC1 1220580530 PKHHPDJSDDRTIS-UHFFFAOYSA-N 421.567 1.722 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 1256238982 VXEFAJMOUXBOBS-UHFFFAOYSA-N 403.439 1.562 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1286296225 NEXLZTGUEOJVKR-IAGOWNOFSA-N 401.536 1.775 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286395887 OSVNXVVLAQNCGO-HOTGVXAUSA-N 419.551 1.073 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1286446052 COGXECWJSHENCI-YLJYHZDGSA-N 411.506 1.971 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1286781086 OHBZPNGXIDLVLF-MRXNPFEDSA-N 420.558 1.750 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CCC(N)=O)CC1 1286789280 DNPWYICHDQDZAO-UHFFFAOYSA-N 416.551 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(F)F)C1 1286818073 BMBBWTBLMZQYGH-CYBMUJFWSA-N 412.466 1.817 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286821421 KPHXVWUJEAMOFH-MRXNPFEDSA-N 409.556 1.184 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H]2CCSC2)n1Cc1ccc(C#N)o1 1288782834 WLIBMUFMCXVXGT-RYUDHWBXSA-N 410.525 1.343 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)n1 1289988012 GIVOMZGJIPDGRP-MRXNPFEDSA-N 407.434 1.287 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc(OC)c1OC 1292362766 QNNCENPAHYFXOK-CWTRNNRKSA-N 404.423 1.162 30 10 HDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1293675214 PRRLTNKAEBWLNG-AATRIKPKSA-N 407.522 1.993 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 1295048241 QZFQCUOGYWLHBV-JTQLQIEISA-N 402.798 1.966 30 10 HDEE Cn1ccc(Nc2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)n1 1298843670 ZQSOLDAOXDICCE-UHFFFAOYSA-N 415.479 1.355 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1 1300320583 GMXVVCARJTUZQZ-INIZCTEOSA-N 402.520 1.935 30 10 HDEE C#CCCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1300377489 VUCWWBJNLPPLCF-LZJOCLMNSA-N 420.510 1.094 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1300459678 UXMXUGAUEJUVCZ-CYBMUJFWSA-N 408.911 1.960 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC1CCCCC1 1300479039 HDKFYHSWIYDVFG-LPHOPBHVSA-N 403.527 1.911 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300545086 IJEJLDZLFWTEGI-FQEVSTJZSA-N 410.543 1.961 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1300688682 IYILFTYHHPZBTR-OAQYLSRUSA-N 414.941 1.420 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2csc(CC)n2)CC1 1300695730 HNFCBXGZZKECNM-UHFFFAOYSA-N 410.551 1.695 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(CC)CC)CC1 1300726857 RZMYXDGKSQGZQM-IEBWSBKVSA-N 416.570 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](OC)C(C)C)CC1 1300726884 SOFPHLIOODMWTF-MOPGFXCFSA-N 417.554 1.809 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OC)C1 1300886063 VSDGPLWTWHJMNY-NCOADZHNSA-N 410.540 1.387 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1300902008 XUYCFZMIWRGQSY-OAQYLSRUSA-N 414.510 1.875 30 10 HDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1301008934 DNBNWAIJHHPKTK-IAGOWNOFSA-N 415.519 1.205 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301498432 NZGLKRKSQRWSMW-INIZCTEOSA-N 401.515 1.278 30 10 HDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1302771990 HLBDPEIVKRZXAY-QGZVFWFLSA-N 418.523 1.227 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1303361105 WOXDNZUXPQDCRP-HJUNTIBCSA-N 415.498 1.177 30 10 HDEE C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1303730832 DTXFUSOUSASYIE-ROUUACIJSA-N 422.537 1.976 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H]2CCCN(CCCO)C2)c1 1309509089 CGXGZEHEBIYFMH-AWEZNQCLSA-N 402.314 1.446 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)OC 1309573023 JKHWHFVQQWGEQM-CQSZACIVSA-N 400.522 1.296 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1320961021 JKYUGXPLEYTVRG-QUCCMNQESA-N 419.497 1.830 30 10 HDEE Cc1cc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)no1 1350773794 HKHQWHZZQHLWRF-FXBPSFAMSA-N 406.464 1.951 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)cc1 1354103779 FHYMCAYRHKGGFJ-KBPBESRZSA-N 419.425 1.746 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(=O)OC)C1 1358934399 ZWQRUPDMRPDGKY-CQSZACIVSA-N 401.492 1.682 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1358946480 WHUVZFRLQRUSMG-HNNXBMFYSA-N 408.462 1.160 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCCNS(C)(=O)=O 1358953992 QZRDRTVLSTWAEQ-UHFFFAOYSA-N 407.565 1.888 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1359021976 ITAQGGBVBCPYJB-MRXNPFEDSA-N 403.508 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCC=CO2)CC1 1359043825 KKHAXDYBSSGQLR-IBGZPJMESA-N 406.490 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(OC)C2CC2)CC1 1359047668 OPTRAVQHCCOLNM-XMSQKQJNSA-N 415.538 1.911 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@H](C(=O)OC)C1 1359303575 UFOQDQNWNHQPEA-SFHVURJKSA-N 411.506 1.755 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)OC(C)(C)C)C1 1359320788 VPNWJUWDTHVETQ-HUUCEWRRSA-N 420.514 1.535 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1359321128 AKEMQLLLXOFDEH-KRWDZBQOSA-N 419.551 1.920 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1360820940 MLOFIZMYQLWAQT-INIZCTEOSA-N 423.477 1.420 30 10 HDEE N#C[C@@]12CN(C(=O)CCCc3ccc4c(c3)OCCCO4)C[C@H]1CS(=O)(=O)C2 1439613784 KUPFZGDTNQKVAL-JXFKEZNVSA-N 404.488 1.567 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1449750345 RTFLCJHNUUQTKS-JTDSTZFVSA-N 424.519 1.611 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 1453839506 LNQFDSNDOTZADV-UHFFFAOYSA-N 400.475 1.543 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)CCS2 1457001384 LKSPPPKMPXEBLQ-OSGGZKRZSA-N 407.492 1.237 30 10 HDEE C=C[C@@](C)(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1461396393 GZPAWUWKBNOQJE-FQEVSTJZSA-N 409.552 1.866 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1464947981 CEIRQQHOSKHTAG-KRWDZBQOSA-N 401.360 1.660 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(c2cccc(OC)c2)CC1)c1cc[nH]n1 1468593696 WLOSZWARGJEZFK-UHFFFAOYSA-N 400.435 1.550 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(N3CCCOC3=O)CC2)C1 1478402723 CQJRSSCSDLLWLK-ZBFHGGJFSA-N 421.498 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCc3ccccc3NC2=O)C1 1478402837 FYZUUBYCXVHWML-USXIJHARSA-N 413.478 1.998 30 10 HDEE COC(=O)c1cn([C@H]2CCN(C(=O)NCc3ccc(SC)c(C#N)c3)C2)nn1 1479315013 YUDSOPZKZDFEJH-AWEZNQCLSA-N 400.464 1.815 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)CC#N)no1 1498377930 RYVDWIYEPWTKRR-KEYYUXOJSA-N 403.487 1.929 30 10 HDEE CCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN/C(O)=C1/N=CC=CC1=O 1498626377 LLBOTIGCTPXPBO-HNENSFHCSA-N 412.498 1.354 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1502676180 FOYKIJSFIFWWQZ-LEWJYISDSA-N 418.542 1.127 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1occc1C 1504887276 BBVRUARRJAJHBD-OAHLLOKOSA-N 407.496 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1507547450 LNDGGBSOFLGZFN-QAETUUGQSA-N 410.540 1.285 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1507623890 YUNDUFCVXRYSLZ-DLBZAZTESA-N 416.551 1.487 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1507629565 OASFQZXPPIFEHX-SFHVURJKSA-N 418.519 1.235 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630205 USNQSFVUCVFWPQ-HKUYNNGSSA-N 414.531 1.998 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1507632943 BPLBKVIEEQTFNB-CQSZACIVSA-N 416.532 1.520 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1507637663 LXECUZIYHSITJJ-UHFFFAOYSA-N 414.473 1.216 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccn(C)n1 1507668343 YERLBDPFTQBWGJ-UHFFFAOYSA-N 412.457 1.839 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC=CO2)CC1 1507715946 KGRGIUSRFYIZAV-SFHVURJKSA-N 400.527 1.644 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CSCCS2)CC1 1507725479 WQGWSPVDFNQQLC-MRXNPFEDSA-N 400.577 1.944 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507930162 ZUPDSNRYMQPUHC-LPHOPBHVSA-N 412.556 1.514 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507941743 JNJTWUMXGFZDFT-OAQYLSRUSA-N 421.509 1.849 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1508037888 FJBVFTACHFONAC-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2cc(F)ccc2C1 1508070922 GJMUZWZLFUXYOH-UHFFFAOYSA-N 412.469 1.518 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1508105812 QCIIAODVPMNGOE-KRWDZBQOSA-N 422.493 1.732 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2ncccc2F)CC1 1508136740 VRIRMWQEUAPZDI-UHFFFAOYSA-N 408.503 1.438 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1513370912 BOBGJVZUDRZYBF-NHCUHLMSSA-N 417.558 1.393 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N(C)CCOCCN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1520360851 HTIMVAKHNQPKPO-MKOCOSAPSA-N 406.523 1.324 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1534418042 IWHUJJQDUUHVOB-GOSISDBHSA-N 406.504 1.444 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)ccc1F 1534627978 OKVAKQWSBOGHMJ-UHFFFAOYSA-N 419.434 1.665 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC#N)c2)c1 1537902864 HOMHAIFHQFNVEQ-UHFFFAOYSA-N 421.500 1.935 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)C[C@H]1CS(=O)(=O)C2 1538539273 BKXVPJWFZYPQQC-UWJYYQICSA-N 424.482 1.273 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1538972095 JERWZTGUDHSHAI-GJZGRUSLSA-N 415.523 1.396 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1539005593 SPLAVJPDVKPKBC-GDBMZVCRSA-N 401.492 1.161 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1539026140 QYALAYUBDIDXGV-INIZCTEOSA-N 412.494 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1539239492 LVJRQTQBIGKOTN-INIZCTEOSA-N 422.514 1.558 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539742851 LYLYUWSMZYAJGU-UHFFFAOYSA-N 406.512 1.014 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540039999 LZAGOXARGGJCLU-RDJZCZTQSA-N 416.551 1.941 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@@H](C)C1 1540072002 JAWFRGFKJIBNIK-JYJNAYRXSA-N 413.544 1.048 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCO1 1540510711 GRKCANDNFKAKMN-NRFANRHFSA-N 416.478 1.963 30 10 HDEE CN1CCN(Cc2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)s2)CC1 1540602783 HAQOZKWNJGHDLB-UHFFFAOYSA-N 410.547 1.725 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540867218 OJMQYVGTTIUDES-KDURUIRLSA-N 422.489 1.646 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540872102 CNYYQHPNTXSIEP-NVXWUHKLSA-N 417.485 1.550 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCC(F)(F)F 1540902320 HADPPGAFVZADCZ-LLVKDONJSA-N 409.434 1.219 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 1545776528 GPGRDYXPMIKSSP-QWHCGFSZSA-N 424.452 1.934 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCCN1CCCO 1546528817 DDRUIBQPDMPEDE-LJQANCHMSA-N 424.553 1.281 30 10 HDEE CCCN1CCC(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CC1 1547168277 KAKQXISMDDUHDF-IEBWSBKVSA-N 420.558 1.853 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC2CCOCC2)CC1=O 1554361069 CMGMZFOOKCMRDF-UHFFFAOYSA-N 424.505 1.681 30 10 HDEE CO[C@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1554609729 LPQPJIZBELGIJI-LVQVYYBASA-N 420.514 1.812 30 10 HDEE Cc1cc(O)nc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1557320704 IDFIDFULBSBIAH-UHFFFAOYSA-N 402.252 1.877 30 10 HDEE C#CC1(O)CN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(C)cc2)C1 1558691878 SBXUFLJTGZEMFE-HXUWFJFHSA-N 410.495 1.317 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Oc4ccc(F)cc4)nc3)C2)c(=O)nc1O 1558806297 KJMPLNIEDPVMII-UHFFFAOYSA-N 407.361 1.844 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1559842806 CZWAOFZLFJTMPS-SAKMYQHLSA-N 423.535 1.356 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c(C(F)(F)F)c1 1561638694 IFOROESNJVUQCF-JSGCOSHPSA-N 424.422 1.154 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[C@]2(O)CCOC2)cc1 1562197745 SXGFQWXANSNQGJ-IBGZPJMESA-N 411.524 1.792 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1 1564798680 PUKICEWETRRXHZ-UHFFFAOYSA-N 412.534 1.975 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1566016015 ZFJHVOMBCWOHSW-SJCJKPOMSA-N 405.252 1.358 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1567952530 YNMUEKFKWQYXJF-LLVKDONJSA-N 404.398 1.691 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1570419445 CJEGUODJQFZSTH-RTWAWAEBSA-N 410.518 1.765 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C1CCN(C)CC1 1585115915 WFVKFWDNGVMWPC-UHFFFAOYSA-N 419.547 1.186 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1587633079 RMYVMZYPSQETHD-INIZCTEOSA-N 410.526 1.388 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1588059816 VOPJMUDKAUZAKF-IBGZPJMESA-N 415.563 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCS(C)(=O)=O 1588149208 JHTAYTGKCKCYKW-UHFFFAOYSA-N 400.504 1.385 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1588413447 XGKVYWUJGRLHHU-MRXNPFEDSA-N 402.524 1.005 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccn2)CC1 1594802543 CBQJLTFZOCARHH-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1594807327 LPNZPXLWEXAARY-GOSISDBHSA-N 410.482 1.639 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1595544535 JPQHHEAINQCLBJ-SJORKVTESA-N 418.542 1.217 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](c3nccc(O)n3)CC2)c1 1603628063 FVUYUOHKMRCAPW-KOMQPUFPSA-N 414.487 1.550 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1611614050 HNSSHHAOLRESBI-AWEZNQCLSA-N 401.467 1.111 30 10 HDEE CN(c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1617741896 KWASIHXSJSRDCQ-WMQDPJMESA-N 413.507 1.741 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1618271456 RPPKLFVMKIFMKU-JXFKEZNVSA-N 403.506 1.936 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)s1 1618330619 TVMQCGLLNCVBCS-UHFFFAOYSA-N 423.516 1.333 30 10 HDEE C=CCC[C@H](NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OCC 1624304413 VQVHAVWWMQXBDZ-ZBFHGGJFSA-N 411.524 1.994 30 10 HDEE CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1626203249 OXHWQYDQZIHEMH-AWEZNQCLSA-N 413.496 1.553 30 10 HDEE C#CCN(C(=O)CSc1nccn1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1626434174 FSAHXWBTMAELQA-QGZVFWFLSA-N 403.529 1.672 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCC)c(OC)c2)CC1 1626701995 WDJOTHUESYMPLR-UHFFFAOYSA-N 410.496 1.101 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 1634076617 QQXJIDJSOIXGDX-SQNIBIBYSA-N 415.490 1.604 30 10 HDEE C=CC(C)(C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1636741247 YJQLLOUVSHXPPF-UHFFFAOYSA-N 410.540 1.411 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1637078636 PFUJLFJUBFMBCA-FQEVSTJZSA-N 417.466 1.070 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1)C(=O)OC(C)(C)C 1637609749 UDNXRTWGDWSYMC-SQNIBIBYSA-N 421.538 1.515 30 10 HDEE COC(=O)[C@@H](CCF)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639730816 SHXFGZKHNAEDPV-CQSZACIVSA-N 413.471 1.303 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NOCCOc1ccccc1 1640501789 YLYPIJJZTBPVEG-UHFFFAOYSA-N 403.460 1.632 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F)C(=O)OCC 1642684200 YPNJJAVWXDMSSH-HEHGZKQESA-N 409.788 1.988 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cn1 1645088535 WYEZPUISYCWLIV-HNNXBMFYSA-N 400.464 1.436 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CC2)C1 1645737270 AKXXQTSKRHNABY-UHFFFAOYSA-N 400.479 1.810 30 10 HDEE COc1cn(C)nc1[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1647662577 LGSMZIZLHAVZAB-DOMZBBRYSA-N 410.434 1.383 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCCc2ccccc21 1652653959 XEWFDEQSNXJHSE-IRLDBZIGSA-N 409.530 1.707 30 10 HDEE N#Cc1cc(C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cnc1C(F)(F)F 1653523563 HDKIHRBIBLRGKI-UHFFFAOYSA-N 412.393 1.982 30 10 HDEE Cc1nc(=NC(=O)C2CCN(C(=O)c3cccnc3)CC2)n(-c2ccc(C#N)cc2)[nH]1 1654343814 IFBHGGKNPMWENB-UHFFFAOYSA-N 415.457 1.755 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)ccc2OCC)c1 1659636466 APNPAMDDOAMVJK-UHFFFAOYSA-N 416.455 1.770 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1659903920 ONRIPFRXTJIVOR-HUUCEWRRSA-N 405.524 1.507 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCO1 1672489504 IPFGWVXWEUBHNJ-HNNXBMFYSA-N 405.398 1.933 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 1680103334 LOLGJHREYXHAAH-LBPRGKRZSA-N 402.879 1.335 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1Oc1ccccc1 1681555363 AXIOROYPBRYRQM-GMLXXTDQSA-N 419.503 1.191 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NC)CC1 1689874884 DIIRMSITPLERTG-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1689888832 RQXZAAXRCFHIRV-ZWKOTPCHSA-N 400.527 1.191 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1689991614 AMGJAOIFSJRDFR-AWEZNQCLSA-N 403.508 1.382 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cccc(C)n1 1690008395 GRDYEKIEIMZHTG-UHFFFAOYSA-N 423.484 1.940 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1690050878 FDQFVKFWKFCDLG-HSZRJFAPSA-N 418.501 1.785 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC(F)F)CC1 1690119399 DJRRNUVMDWVSLK-UHFFFAOYSA-N 402.449 1.390 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1690299243 KIWCQYSXDRQRJW-INIZCTEOSA-N 406.531 1.504 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1690523724 MSRPQHBOKHBYRC-CQSZACIVSA-N 407.478 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690671552 YPZHXVLFFKETHA-GJZGRUSLSA-N 417.470 1.091 30 10 HDEE CC(C)c1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cnnn1 1691861989 GTIJTBLDHCSSMP-UHFFFAOYSA-N 424.488 1.816 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1692851878 HEYBCABWESIVAU-CXAGYDPISA-N 406.537 1.815 30 10 HDEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1693566858 DEAZDESYRZFJKJ-ZIFCJYIRSA-N 412.542 1.775 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1697011042 GVFKVHHGDDECBK-IEBWSBKVSA-N 423.521 1.829 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1705559381 ZOSOFQKGSWMKCB-INIZCTEOSA-N 419.551 1.233 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1705574251 YPGPJIAXBRAENG-AWEZNQCLSA-N 418.523 1.295 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1705582857 LASMURYTYAJVSA-KRWDZBQOSA-N 419.551 1.264 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2ncc(C)s2)CC1 1705638418 KHEVLUWGNGNCOI-HOCLYGCPSA-N 413.551 1.553 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1705702089 FEFUQZPDUYUJAO-SZMVWBNQSA-N 414.510 1.216 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC(N)=O)c2)CC1 1705779619 PULILAWZFKLXNM-UHFFFAOYSA-N 421.505 1.993 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1705835546 NRIXJETZFQOYMR-NDEPHWFRSA-N 424.596 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(c2ccnn2C)CC1 1705900195 TUZCLUQPLVKPBB-UHFFFAOYSA-N 408.510 1.703 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1705907462 NQRFCNVEUMDQMI-FQEVSTJZSA-N 424.549 1.276 30 10 HDEE CN(C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1710966352 AJPJAHJQLQCTRJ-MGPUTAFESA-N 417.489 1.462 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)s2)CCO1 1712885909 CHTCKDCLYNZQKG-GFCCVEGCSA-N 406.899 1.892 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1722296820 VLINNIHMIWEZRI-JKSUJKDBSA-N 409.556 1.287 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1722387356 UKUACQKLIBTRGI-IBGZPJMESA-N 415.544 1.210 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1CCN(C(=O)OC)CC1 1722428502 GPKWQEVKMURBEP-QGZVFWFLSA-N 405.499 1.346 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1722526337 VLAAZELPCGEJQS-WOJBJXKFSA-N 418.586 1.937 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1722592655 XJNMLZGVGWTELC-HUUCEWRRSA-N 411.572 1.601 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1722685165 UBCQBSSIJNJMEX-IBGZPJMESA-N 409.538 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCS(=O)CC1 1722730321 ONSYLXZBPSSZOJ-UHFFFAOYSA-N 422.576 1.233 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nnn(C)n1 1722862013 GLAWLQRPARQRHS-ZDUSSCGKSA-N 403.454 1.503 30 10 HDEE CC(C)(C)OC(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1722998806 DCXHIWCBDXDHPC-LJQANCHMSA-N 421.477 1.481 30 10 HDEE CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1724032079 MBDSBYKUGSQISY-FWWJWKNHSA-N 416.482 1.271 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1726802073 MMBXWRDMSTVIRE-DYVFJYSZSA-N 423.315 1.936 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1729735254 ICDROVUJEWGABD-IBGZPJMESA-N 420.514 1.875 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CCn2cc(Br)cn2)CCO1 1731188003 AUFKGEBWLZIOIB-AWEZNQCLSA-N 406.288 1.934 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCOC)cc1 1740558282 RIAUJYWZPCGAOL-QGZVFWFLSA-N 411.506 1.932 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(=O)(=O)CC 1740608502 GIYCMWVESYIYCC-UHFFFAOYSA-N 414.491 1.609 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622808 IWDZSOWIKDPTJW-HOTGVXAUSA-N 421.567 1.682 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1740625436 NQVNZQZQHOJYRM-SFHVURJKSA-N 417.535 1.053 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2nnc(C)s2)CC1 1740696872 JCRFZVXNLXNFBZ-UHFFFAOYSA-N 411.510 1.971 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)N2CCC(OC)CC2)CC1 1740703221 KJIQYMIAUFQPQV-UHFFFAOYSA-N 416.570 1.442 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCOCC1 1740734267 WVYWVABTQWMETG-DYESRHJHSA-N 400.527 1.113 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740827218 NLIFSXGEAUTSTN-UHFFFAOYSA-N 417.535 1.360 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1740863776 GBTSVJOGVUMHAO-OAHLLOKOSA-N 407.540 1.348 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2nncn2C)CCOC1 1741721415 RWRFAZYPXKKQDL-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2COCCO2)CC1 1741989222 CCNDMEKJTUKYLZ-MRXNPFEDSA-N 402.499 1.336 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(C#N)CC1 1747434800 QBEIAMPUPCENQJ-UHFFFAOYSA-N 420.543 1.138 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1748666621 DYIDFNFHDLPZHZ-RHSMWYFYSA-N 404.478 1.625 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1Cc1ccccc1S(=O)(=O)N(C)C 1748687452 KDZKHYOLXKWYIA-HNNXBMFYSA-N 405.524 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748846412 GKTDJPQPEYCKKM-HXUWFJFHSA-N 405.502 1.799 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1 1748914738 IIULEHIKWWMRTK-UHFFFAOYSA-N 411.466 1.607 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[C@@H]2C)CC1 1749001344 QFOTYJHJBCQAQX-RDJZCZTQSA-N 421.505 1.547 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCO2)CC1 1749010652 UQHHWHDUCZVJNK-MSOLQXFVSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC)C1 1749021899 CBCSNGOJDBVTOC-CABCVRRESA-N 415.585 1.260 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749122695 ZJVLHZUFCRPKAT-AOIWGVFYSA-N 413.526 1.965 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1749166412 BDFIOOUKHBGUSO-SJLPKXTDSA-N 410.478 1.480 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1749590770 FVEOOBWTZJJBJF-ZWKOTPCHSA-N 415.494 1.863 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749634968 OWTWPFDKLVCZLA-UHFFFAOYSA-N 404.478 1.270 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2c(ccnc2O)C1 1749731035 ZKEDZVMTTDUZSO-UHFFFAOYSA-N 414.491 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760125532 QVYKCDMDZJGBAL-NLDJYOPPSA-N 424.567 1.204 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(OCC(N)=O)CC1 1760148837 NZHAPFKBDHQXFP-UHFFFAOYSA-N 402.886 1.878 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCCC1 1760165198 LVAGQJJHSSMQTN-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1CC 1760165303 NWXVVAJPBMWHHL-NRFANRHFSA-N 400.527 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cc(C)nn1C 1760199181 QXJCJLUVXWCWPK-UHFFFAOYSA-N 402.458 1.879 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCC1(O)CCOCC1 1760250982 PHNUGHMECFEUFG-UHFFFAOYSA-N 416.526 1.157 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1760294251 RSRWDGOCMDAFFQ-KSFYIVLOSA-N 424.505 1.943 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC 1760312739 CYUOTBNSCLUOQS-DOTOQJQBSA-N 400.483 1.989 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1OCC[C@H]1C 1760500103 DBAMTWXVLJBINU-HZPDHXFCSA-N 400.483 1.989 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@@H]21 1760526134 FODBAQYOOYVVKE-KBPBESRZSA-N 400.508 1.561 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1760691094 JBXKRHZCURTFPA-OAHLLOKOSA-N 419.555 1.997 30 10 HDEE CN(C)c1cccnc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1766914014 HTORGAPIHTUHGO-KRWDZBQOSA-N 404.478 1.502 30 10 HDEE COC[C@H](Cn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1770770682 IBGBMIMMFGEKHY-SFHVURJKSA-N 413.526 1.731 30 10 HDEE O=C(CNC(=O)c1ccc(N2CCCC2=O)cc1)ON1C(=O)c2ccccc2C1=O 1772791552 ALNMEZZPPZYFNS-UHFFFAOYSA-N 407.382 1.298 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC#Cc3cnn(C)c3)cc2)CC1 1850055340 RYADMOVXCIEWGN-UHFFFAOYSA-N 400.504 1.622 30 10 HDEE Cc1nc(N2CCC(C(=O)NCC#Cc3cnn(C)c3)CC2)cc(C(F)(F)F)n1 1850460191 ZECCHHQHOOCUOQ-UHFFFAOYSA-N 406.412 1.922 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C2)c(C#N)cc1C#N 1851054393 AYIJZUKLKZMSTR-CQSZACIVSA-N 411.368 1.521 30 10 HDEE COCc1c(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1ccccc1F 1851416150 WGISMMXVEQYHSL-CQSZACIVSA-N 424.392 1.797 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CNC(=O)Cc1cc2c(cc1C#N)OCO2 1852050205 BMWDPJZBTZBHEO-HNNXBMFYSA-N 403.435 1.582 30 10 HDEE Cc1nc(C(=O)N(C2CC2)S(=O)(=O)N(C)C)c(C#N)c(C)c1Br 1852562701 OKJDSJPAJVXAGL-UHFFFAOYSA-N 401.286 1.744 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)CC1 1853738826 LCKUYTYUJQGJKV-PKOBYXMFSA-N 412.490 1.864 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)C2)CC1=O 1854196337 PQYLSJOCODXTCD-OAHLLOKOSA-N 410.396 1.744 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1=O 1854240618 FCRLEOBWRKYLOD-OALUTQOASA-N 407.474 1.332 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC[C@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625974 DINXRZQISKYGFI-GDBMZVCRSA-N 405.476 1.265 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)[C@@H](C)C2=O)cc1C#N 1854750221 NWVGHNIVGXLWRR-BBRMVZONSA-N 422.407 1.703 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)C[C@@H]3CCOC3)C2=O)CC1 1854781551 JGOQVYRSEWTGRV-HKUYNNGSSA-N 411.506 1.410 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCC4(CC3)CC(=O)N(C)C4)C2=O)cc1C#N 1855102638 HHANLTKABBLRFG-IBGZPJMESA-N 408.502 1.942 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)C(=O)C1 1855546998 WSORISNUGCTYQQ-UHFFFAOYSA-N 400.504 1.988 30 10 HDEE COC[C@H](C)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856828301 BDIDFKBDUXWZSE-RDJZCZTQSA-N 418.925 1.800 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C1(C)C 1857085041 ZLVCPZUFQUUATM-AWEZNQCLSA-N 416.547 1.794 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1=O 1857153385 NCSWMNLCWFKZNC-QGZVFWFLSA-N 412.400 1.188 30 10 HDEE CC1(C[S@@](C)(=O)=NS(=O)(=O)CC2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 1877681179 DDLNFLSZBZEGNS-RUZDIDTESA-N 405.542 1.975 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@](F)(C(N)=O)C2)[C@@H]1c1ccc(C#N)cc1 1889291159 HWEBBZZOLOEDFB-ZWOKBUDYSA-N 418.494 1.378 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CN(c3cccc(OC)c3)C(=O)O2)cs1 1891215521 MFCHNHXQSQWYNR-AWEZNQCLSA-N 416.459 1.823 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)nn2)n1 1891479642 AMZHBKZDJKGYSS-OAHLLOKOSA-N 404.434 1.624 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)CC1 1892317146 ANHLYNPOWZVGKS-UHFFFAOYSA-N 419.441 1.103 30 10 HDEE C[C@@H](C#CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1902015318 XUYXTJZZWRXVKR-FDDCHVKYSA-N 415.534 1.998 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S(=O)(=O)CCC#CBr 1990658286 UPHPHFTXOBBKMN-SNVBAGLBSA-N 412.302 1.904 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)C1CC(=O)C1 2186602160 NCARMEDBHVNDRH-JTQLQIEISA-N 400.331 1.496 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2195290794 GQJWGOPZEVNWHP-JGTBNHKDSA-N 402.513 1.411 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2197008182 XMYGIEHREOLJIS-UHFFFAOYSA-N 410.233 1.173 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2247907948 LDUONCDZMGUCFY-ZIAGYGMSSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cc(Br)ccc1C#N 2249527971 OJXYVXNTRMGBQM-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE Cn1cc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c(B2OC(C)(C)C(C)(C)O2)n1 2255623729 QWVRVVAULKLPHS-IRXDYDNUSA-N 422.338 1.580 30 10 HDEE Cc1nc(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282025431 OKVXRCVXDYOUPC-ZJUUUORDSA-N 402.347 1.302 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282338819 UNCJXUYAQQWMRM-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282338890 QNUOADUPSRMKHY-GFCCVEGCSA-N 402.347 1.226 30 10 HDEE C=C(CS(=O)(=O)N[C@H](C)C1CCS(=O)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2282488917 CKGURLDFNWWVHX-CYBMUJFWSA-N 407.363 1.307 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCC#CCO)c(Cl)c2)OC1(C)C 2282500514 LEGHEEABIURQOE-UHFFFAOYSA-N 420.123 1.567 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H]3CS(C)(=O)=O)ns2)OC1(C)C 2282604710 XMSQUXSPHXCBNS-NSHDSACASA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](N)C(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282826371 QUUYIDXRCLBXMN-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)N(C)C 2282826510 RHNJOFIJJXXLMN-SECBINFHSA-N 422.765 1.456 30 10 HDEE CCOC(=O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282833483 XSRBCWVCMCFRDA-UHFFFAOYSA-N 423.749 1.884 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](CO)C[C@H]1C 2282836995 RJGMTZAQXYXKIX-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H]1CCCN1 2282843521 OVTHHUDRDJUGGV-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CN)CCCCC3)s2)OC1(C)C 2282848516 OHCNMOGETYAPMO-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE CC(C)[C@H]1[C@@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856625 VSYRPSMUKIIYSA-KBPBESRZSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS[C@@H](CCO)C2)OC1(C)C 2282858320 VDGQAIOMVAYQPT-LBPRGKRZSA-N 419.399 1.536 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CC[C@@H]2N)OC1(C)C 2287585405 UOOZYZJTYPNBPA-RISCZKNCSA-N 400.737 1.655 30 10 HDEE C#CCN(C[C@H](N)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2308014251 HIHBUOIAKPCSHG-NSHDSACASA-N 402.293 1.557 30 10 HDEE COc1cc(C=Nn2c(C)nnc2SCC(N)=O)cc(Br)c1O 2321124230 MTBWLPGEHPXZLO-UHFFFAOYSA-N 400.258 1.523 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)C=CC(=O)O)cc1 2325702594 RDPALVVMRYAUAY-UHFFFAOYSA-N 407.448 1.016 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1ncc(I)s1 2342033980 QNJOUMUBPPYGAZ-VIFPVBQESA-N 410.302 1.979 30 10 HDEE CCN[C@@H](C#CC1(OC)CCOCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2363644820 WKKVJLYBXVJHLT-REWPJTCUSA-N 416.518 1.937 30 10 HDEE Cc1csc(C#C[C@@H](OCCN)c2cn(C)nc2I)n1 2363687372 UHQDSOIRLAYSPO-LLVKDONJSA-N 402.261 1.858 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1 2365210831 LQTMUEZVANBECU-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211764 NIOOWNMXOPDOSH-HRLGVUPISA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365254392 NRGMWEPNJHOZIJ-CYBMUJFWSA-N 405.513 1.834 30 10 HDEE CCC[C@](C#CC1(S(C)(=O)=O)CC1)(CNC(=O)OC(C)(C)C)OCC(=O)O 2367792137 LSIRBCWFZIYNMA-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367816217 HDDXEPQTUSGRDX-IIDMSEBBSA-N 400.541 1.435 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCC(=O)NC(C)(C)CC 18761546 KMBDITSSFJQNER-JOCHJYFZSA-N 413.474 2.000 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(CCn2nc3ccccn3c2=O)CC1 27105697 IQADJZQCVUYYCF-UHFFFAOYSA-N 405.418 1.438 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 27901275 YKASQFNVPAHGLJ-UHFFFAOYSA-N 414.428 1.121 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(NC(=O)COC)c3)cc2C1=O 29262474 RQBKTDAIMBJUSJ-UHFFFAOYSA-N 407.426 1.984 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 105283000 LOTFRXXQOQQKEE-UHFFFAOYSA-N 406.414 1.912 30 10 HDEE CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 301787695 MNHKGVTYFOVABH-DNVCBOLYSA-N 410.522 1.396 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435518665 JVOVKERSWRNPNE-GOEBONIOSA-N 405.462 1.694 30 10 HDEE C=C(C)Cn1c(-c2ccccn2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460954398 YBZCKVJQQSWINX-UHFFFAOYSA-N 402.524 1.921 30 10 HDEE COCCOc1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 464830702 QSENSUYIIJHIGK-MRXNPFEDSA-N 410.478 1.794 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 483091554 SUXPJJHDGLZQCR-MTJIALIYSA-N 403.504 1.947 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1C#N 489889617 XERJCNRHMPPURR-LBPRGKRZSA-N 404.414 1.731 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)CCCOC)CC1 505625315 KKDOCZKQLBHPKV-UHFFFAOYSA-N 423.535 1.254 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 506087089 VWRPBWRDRMFIAW-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2nc(CN3CCOCC3)cs2)CC1 515232118 HPCMAWYRSNLLJD-UHFFFAOYSA-N 413.507 1.596 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cs1 523652377 SSIRMRZDCAPOBU-HNNXBMFYSA-N 415.540 1.726 30 10 HDEE C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCCCC1=O 527258521 ATSQZVQAVDJNKM-YOEHRIQHSA-N 411.462 1.280 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCOCC2)c1 532458310 GUXIKKUZZBTEIT-OAHLLOKOSA-N 414.487 1.700 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)n1cnc(C#N)n1 537508089 WKMWVAUXQYNJMX-LBPRGKRZSA-N 406.368 1.714 30 10 HDEE CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549417971 OGZHAAYKMNVQOO-INIZCTEOSA-N 416.507 1.184 30 10 HDEE C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCN(CC(F)(F)F)CC1 555473279 MCFRVGZENTTXRY-ZDUSSCGKSA-N 404.458 1.979 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 557562437 GZHAQSOLDWDDTP-UHFFFAOYSA-N 419.469 1.878 30 10 HDEE N#CC1(CC(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 590195281 FDQCQKKSAZNHRW-UHFFFAOYSA-N 405.476 1.375 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)ccc1F 609134225 LGNYGGZHEYHGMZ-UHFFFAOYSA-N 401.423 1.945 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)cn1 610187895 VGOHIDIPOATWLT-KRWDZBQOSA-N 415.519 1.896 30 10 HDEE COc1cc2c(cc1OC)CCN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 732465542 HJYRZIAFNHWCOL-FMQUCBEESA-N 414.462 1.340 30 10 HDEE N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 746392178 VFPZAFWEELJBPH-CQSZACIVSA-N 423.408 1.940 30 10 HDEE COc1ccc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C#N 746773585 XKINLOYZTPUGHW-CQSZACIVSA-N 406.450 1.425 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 751956579 AFISIAMAFNFWPM-UHPIZROJSA-N 406.483 1.666 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCSCc2ccnc(Cl)c2)CC1 758658142 GJAFCPOIPQQQKK-UHFFFAOYSA-N 411.959 1.598 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC2(C)OCCO2)C1=O 758866169 CSXGJYOIVZGPBB-OAHLLOKOSA-N 402.476 1.779 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2COc3ccccc3O2)c1 765659839 VXYHKNWPNNRLIH-MRXNPFEDSA-N 400.456 1.558 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774176665 DROBSYACDGQNLE-UXHICEINSA-N 419.547 1.200 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 774213260 NSPOQLHTEGXRBE-CQSZACIVSA-N 417.528 1.836 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccncc2C#N)CC1 775449932 GMVUCJUBNZMCIX-UHFFFAOYSA-N 420.516 1.176 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 778679943 SGFXZLGHGVTONV-RTBURBONSA-N 400.479 1.517 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 781595936 OFCHTDXBRXHKFE-AWEZNQCLSA-N 411.480 1.594 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 792784865 MOSMUVFVNLFVFM-CQSZACIVSA-N 407.883 1.333 30 10 HDEE COc1ccc(C[C@](C)(O)CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1OC 793906000 GZILOOVWBAGUGW-CGLJGAHCSA-N 417.462 1.030 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)n1cnc(C#N)n1 798397616 JCWVESDEYBJRCO-PEUHRCAASA-N 401.452 1.162 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 802168144 SCIYSVUAAIVHQD-DLBZAZTESA-N 403.479 1.726 30 10 HDEE COCCn1c([C@H]2COCCO2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 802349372 IYMQRHOLLKYFGY-GOSISDBHSA-N 416.457 1.350 30 10 HDEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2CCC2CS(=O)(=O)C2)n1 803182156 VFPCASQSCPGDTH-UHFFFAOYSA-N 414.516 1.884 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccc(Cl)cc1 810473694 HADHNBRQDATEFB-KRWDZBQOSA-N 419.890 1.818 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1[C@@H](CO)C2 812360859 WUIUWOOESXNFAG-VYDXJSESSA-N 405.520 1.657 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)CCNC(=O)OCc1ccccc1 813978556 GQXHVRXSMSLJCS-UHFFFAOYSA-N 401.444 1.853 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1nc(-c2ccccn2)nc2c1CCC2 814858187 OEGUGDCMCQWCOT-UHFFFAOYSA-N 412.479 1.324 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2 917925391 DWRBZGKRLWBTSM-OAHLLOKOSA-N 411.501 1.075 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 920003536 XHEFCGFMKQMTMB-KGLIPLIRSA-N 409.533 1.238 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)o1 1084332888 BNKULSFVGVSZSA-UHFFFAOYSA-N 416.467 1.871 30 10 HDEE CC(C)NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084341052 IWETUQKJGCRXSJ-UHFFFAOYSA-N 408.400 1.684 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)cc1OC 1129890125 VPUXSINPRYRRKE-YHWKNFMLSA-N 402.447 1.553 30 10 HDEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](C)n1cnc(C#N)n1 1133147574 XOLIBXJGLRNFRZ-GWCFXTLKSA-N 411.340 1.510 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1143068465 QZGRFYCPJCWLFK-MRXNPFEDSA-N 406.504 1.778 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1148194258 KQRARHZSNBXWLH-ZWKOTPCHSA-N 417.531 1.829 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 1151150990 CHMDSHMSYJAHOA-HNNXBMFYSA-N 404.478 1.776 30 10 HDEE C[C@@H](CC(=O)NCc1noc(C(F)(F)F)n1)/N=C1/NS(=O)(=O)c2ccccc21 1156121721 CWSSRSLMYQERHC-QMMMGPOBSA-N 417.369 1.222 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1158819894 WSESVEOBWIXLGC-HOCLYGCPSA-N 406.508 1.536 30 10 HDEE CN(CCN(C)C(=O)c1ccc(C#N)c(O)c1)CCN1C(=O)c2ccccc2C1=O 1160334618 USPBODGEYDFOGC-UHFFFAOYSA-N 406.442 1.564 30 10 HDEE CNCCCc1[nH]nc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)c1C#N 1160501463 MMPRSGQZPFNXCT-UHFFFAOYSA-N 411.388 1.360 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1160823418 SLZSPOSJSHKGEO-UHFFFAOYSA-N 417.890 1.878 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(C)C 1161344601 BJBZORKDXNTBAC-LPHOPBHVSA-N 404.486 1.817 30 10 HDEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1163599061 QQTJMFCZINHFSG-INIZCTEOSA-N 418.515 1.746 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)ccc2OCCCC)CC1 1197184024 NOJFGISKZDMHPZ-UHFFFAOYSA-N 424.523 1.491 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1286342203 NTDVBGQBZFBRPG-HOCLYGCPSA-N 407.496 1.473 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286363963 VSQFACPFRAOZKW-ONOMSOESSA-N 416.547 1.926 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(N)=O)c1 1286421430 DMURXMIPTCFXMN-HSZRJFAPSA-N 421.501 1.540 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 1286439261 MUVXKDAVBYFRSP-UHFFFAOYSA-N 402.462 1.543 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)c1ccccc1 1286460875 KUOQOHRMSQINHP-IBGZPJMESA-N 411.506 1.988 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)cc2F)CC1 1286477218 SFFCHXWDTFQZTB-UHFFFAOYSA-N 409.469 1.630 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCCC2)CC1 1286485589 QWFCARCAMRZYPC-UHFFFAOYSA-N 412.538 1.670 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559475 WUSGLTHRLZFPLH-MAUKXSAKSA-N 411.572 1.730 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)NC)C1 1286790959 ZZROZHGFQMQCOB-HNNXBMFYSA-N 402.524 1.195 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCOC2)C1 1286799262 UNXPNHZYHSRVBK-UZLBHIALSA-N 407.515 1.129 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCC[C@H]21 1286814286 OYTJIRRSOQFENE-HZPDHXFCSA-N 407.540 1.494 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1286822813 HTSQBEDSBLGCIA-UHFFFAOYSA-N 420.583 1.831 30 10 HDEE C=CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286834856 LDWQRGYKKXNCCH-OALUTQOASA-N 409.556 1.551 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)N(C)C 1288607858 TUIBRNDFPRQMMA-KRWDZBQOSA-N 417.521 1.883 30 10 HDEE Cc1cc(C)c(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c(C)c1 1289200957 CVBPZODDBXAHEO-WWMYMODYSA-N 415.515 1.362 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@H](C)C#N)CC1 1296130942 GQHNJVGTYHPTAR-RTBURBONSA-N 410.570 1.886 30 10 HDEE C=CC[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1296236420 JRRATIUJCLWTOH-MRXNPFEDSA-N 401.419 1.119 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CCC(=O)N1CCOCC1 1300675563 SYFTZTDSZUKJAA-UHFFFAOYSA-N 403.527 1.346 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCS(C)(=O)=O)CC1 1301124668 JUXYHJOFFGMDHN-QGZVFWFLSA-N 412.556 1.983 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)COCCO2)C1 1301566981 DNURNROJAPRJJR-TWFHAPMSSA-N 422.526 1.589 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1303307625 FLRLJNMJVQMYTO-UHFFFAOYSA-N 405.510 1.914 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1313097241 MNWQDWLRDVYPTD-MRXNPFEDSA-N 413.927 1.784 30 10 HDEE C=CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CC1 1313274362 FTYRKXKGACKYRN-HNNXBMFYSA-N 401.529 1.771 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC 1316187301 UNQIAMZTRBAWBS-ZDUSSCGKSA-N 402.455 1.183 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1 1316297797 OQTGBQCUDURIIJ-UHOSZYNNSA-N 413.478 1.788 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CC2)nnc1N1CCC(F)(F)CC1 1316568408 WPUIFGDUUOKHOO-WUKNDPDISA-N 406.437 1.993 30 10 HDEE C#CCCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OC)cc1 1342888220 TWDOAFPIQMXFFD-QQEKQYBASA-N 424.497 1.468 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CCOc1ccc(S(C)(=O)=O)cc1 1358898835 BGJRIZBCRTWEKG-OAHLLOKOSA-N 406.508 1.755 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1358963754 NQBVIRCKZXOJED-DZGCQCFKSA-N 423.564 1.679 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1358971595 BAJMLQGKEXLOLV-SFHVURJKSA-N 421.501 1.521 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)C(C)C 1358979004 ZZFNAZBTHPCHGS-UHFFFAOYSA-N 420.565 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC(OCC)C1 1358984286 PAOBBYWLNBYCQW-UHFFFAOYSA-N 422.489 1.318 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](COC)OC 1358989486 DOXZQYPZFCBTPZ-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359057312 WTPLRCIOXZDRDW-ZACQAIPSSA-N 423.608 1.220 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](OCCOC)C1 1359083672 OUBYSNFTYCRDJT-KBPBESRZSA-N 401.305 1.932 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359131445 UESRTOKWOLCQBW-OXQOHEQNSA-N 402.499 1.656 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359158007 AYDVVZNIDYQAOZ-VLGSPTGOSA-N 413.482 1.099 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1359203729 UXAMDLNBMMSDPT-CVEARBPZSA-N 410.544 1.563 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359297347 NFLHQXGJGHZSDW-KRWDZBQOSA-N 406.494 1.989 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1359303430 OBESZEFEGJSDOG-UHFFFAOYSA-N 423.496 1.870 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1359309649 ZPVFGTMYUNCTKA-QGZVFWFLSA-N 410.478 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359332549 AIERJRADYCHYKD-QGZVFWFLSA-N 422.555 1.389 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C(=O)OC(C)(C)C)CCOC3)cc2C1=O 1437436514 ANRDUSUQACPDFS-NRFANRHFSA-N 400.431 1.699 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1455706931 WIQIYXVPAVFRRZ-AEFFLSMTSA-N 407.511 1.440 30 10 HDEE C=C[C@@H](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1456324727 NTJAUZUAQPVJIU-AWEZNQCLSA-N 407.492 1.453 30 10 HDEE N#CCCN(CCN1CCOCC1)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1459602856 NSORQEAUOQTVHV-UHFFFAOYSA-N 422.451 1.721 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1460913971 DEDXEBSIFPDBAW-QGZVFWFLSA-N 409.490 1.420 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@](O)(c3ccc(F)cc3)C2)c1 1466449922 SCBPXVXQPGIBTL-IBGZPJMESA-N 406.410 1.996 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)/C=C\C(=O)c1ccc(C)cc1 1468774518 CPDWZIXALAGHKA-PLDWVVQRSA-N 404.488 1.703 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2nc(C#N)cs2)C1=O 1472144498 MJDPFHBWBPKBOO-CYBMUJFWSA-N 407.496 1.394 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]([C@@H]4CCOC4)C3)CC2)o1 1473870502 LHMPMEWKEQDRAC-ZWKOTPCHSA-N 401.511 1.642 30 10 HDEE C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CN(C)CCO1 1478171151 FNHNPTXNZIGSKD-JXFKEZNVSA-N 423.521 1.499 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494194538 YOSQWYCIFUVVCJ-JHJVBQTASA-N 408.484 1.015 30 10 HDEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1494772233 JTSKOEMPKJGZRE-MDYRTPRTSA-N 406.531 1.340 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502687679 BQCDAMPDPRTSHO-VQTJNVASSA-N 404.515 1.539 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn2ccccc12 1504997949 GXHHCEIDEJXQRC-RDJZCZTQSA-N 411.466 1.427 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1507525074 YCRNQJUMDIEPLN-HNNXBMFYSA-N 405.524 1.739 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1507582146 CLJWVOLDFXPORX-UHFFFAOYSA-N 421.461 1.896 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(CC)CCC)CC1 1507717045 YBDUDZYYMZOUOQ-UHFFFAOYSA-N 424.553 1.413 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)COC)CC1 1507717930 JFDLZLGENXVVAA-QGZVFWFLSA-N 413.522 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@@H]2COCCO2)CC1 1507742328 HCYFSNLVPODEOZ-GOSISDBHSA-N 403.527 1.248 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507833173 ZIEDDLCBBXIKHW-OAHLLOKOSA-N 402.524 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508091257 TUKPLLNWEWCFGR-KRWDZBQOSA-N 423.477 1.357 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N(C)C)C1 1508125218 HTUBJTFMORRUMP-SFHVURJKSA-N 423.521 1.776 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccn(CC)c2=O)C1 1508126227 TYZOIGGMPOYNEI-SJORKVTESA-N 412.494 1.240 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@H]2OC)C1 1508131946 PIZZMSXKNKKDQE-RCCFBDPRSA-N 419.526 1.233 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCC)C1 1508137956 UJNCDZCEDLIDHY-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1508816401 QHWKXJJTVZHSFH-QFIPXVFZSA-N 423.521 1.503 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cnnn1 1509025057 MDSPJISBZSEIBY-GOSISDBHSA-N 407.482 1.928 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1509682875 DBYLBWCBUGLICS-UHFFFAOYSA-N 407.425 1.316 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1510300800 KDDJDUOHWIYROF-INIZCTEOSA-N 413.526 1.445 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1514699836 SMMUSNWBUKOLGX-FVQBIDKESA-N 418.498 1.617 30 10 HDEE CCOCCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1516770349 XOFALJVZHNLQRQ-GOSISDBHSA-N 400.483 1.801 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCN(C(C)=O)C1 1519404900 PAIAKGRWPAJBFR-NQYYFHDYSA-N 418.542 1.999 30 10 HDEE COCCOCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1519416383 YLZJTGONBOGVPS-KRWDZBQOSA-N 421.885 1.902 30 10 HDEE CCN(C(=O)CC1(C#N)CCOCC1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 1520032672 VEQXCDJEYMCBNF-UHFFFAOYSA-N 413.522 1.809 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1 1533411496 HNALBGDWMGYSPF-UHFFFAOYSA-N 402.472 1.888 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CCOCC1 1533501002 ONMHKLKHPFEAAI-VQTJNVASSA-N 404.532 1.773 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 1535349915 RTSLDWXFCNJVRO-NSHDSACASA-N 422.367 1.471 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1 1535417355 KAECBIKFQGECKA-GFCCVEGCSA-N 408.252 1.717 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1538761531 ZVDIQOCBWUQTMY-GQIGUUNPSA-N 419.478 1.075 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1538993974 WDKFNOPJFHPLQO-HNNXBMFYSA-N 400.508 1.604 30 10 HDEE C[C@@]12COC[C@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1539183638 GZDACYHJVOWQHH-YLJYHZDGSA-N 403.504 1.454 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1COCCO1 1539326283 UDELXSFZYJZBBV-FXAWDEMLSA-N 408.458 1.669 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539517693 QTQIYZGPHFYDQQ-ROUUACIJSA-N 405.568 1.449 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2CCCO)C1 1540888965 BLGPHKZTTYMPAJ-QZTJIDSGSA-N 400.527 1.901 30 10 HDEE CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1545534235 ATHFBFUURNZZFG-QGZVFWFLSA-N 414.462 1.643 30 10 HDEE COCC(=O)N1CCC2(CC1)C[C@@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548379830 IUGQMYNQFIVLPX-INIZCTEOSA-N 424.423 1.896 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC)cc1)C(=O)OC 1556375391 IKTXICQDGBPKGM-DLBZAZTESA-N 422.503 1.461 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)c1 1556571307 HDVCNPIIMZTUED-UHFFFAOYSA-N 424.475 1.783 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(Cc3cn[nH]c3)CC2)CCCN1C(=O)OC(C)(C)C 1557094803 LQWSHMPMJAAODX-NRFANRHFSA-N 401.511 1.847 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1557243864 YSCLCAFTNDPQPL-SFHVURJKSA-N 413.522 1.405 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)C(F)(F)F 1557453856 SUIMWIRLKHLDHO-UHFFFAOYSA-N 403.386 1.201 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)c1 1557869556 JFZHDLPSVYMKGM-HXUWFJFHSA-N 415.515 1.946 30 10 HDEE Cn1cc(C(=O)NOc2cccc(C#N)c2)c(CN2C(=O)c3ccccc3C2=O)n1 1557922593 NHRQKEDSKUKPEK-UHFFFAOYSA-N 401.382 1.812 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccnc2C(F)(F)F)c1=O 1559448595 IAOPMJHENGWUAK-UHFFFAOYSA-N 410.352 1.685 30 10 HDEE N#Cc1cn(CCNC(=O)NC[C@H]2CCCCN(Cc3ccccc3)C2)c(=O)nc1O 1564883163 CQUWWARKJDHGFR-GOSISDBHSA-N 424.505 1.422 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)cc1 1564964092 RWNKXDYTYDMNLF-MRXNPFEDSA-N 413.455 1.566 30 10 HDEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 1565107046 ZYDPTIDJHMBPBX-IBGZPJMESA-N 423.510 1.706 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CCN2C1=O 1565166891 BETQGQQBBXONLZ-GOSISDBHSA-N 410.478 1.205 30 10 HDEE COCCN(CC(=O)N(C)C)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1565608703 PATQTADTSZZHAQ-UHFFFAOYSA-N 404.316 1.471 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 1565628240 NAVWEWJRQLMEQY-GRCNPPBESA-N 418.519 1.758 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)(C)C 1565630415 ZUKFNGDAUDRXFJ-UPTRSRDDSA-N 408.499 1.959 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1c(Br)nc2n1CCOC2 1566443679 VARJSRNEJNEWQU-UHFFFAOYSA-N 408.260 1.058 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)OC 1568154267 FGSQABKZOPSRDL-HUUCEWRRSA-N 407.858 1.805 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(CC#N)cc2)CCS(=O)(=O)CC1 1586010665 QGTWPEZXZSMLMO-UHFFFAOYSA-N 406.504 1.906 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1586367743 DISSBUPUMRYONS-ZSDSOXJFSA-N 422.478 1.200 30 10 HDEE CC(C)(CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCOCC1 1587074898 PYZGHSNDAJSWQA-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1587696945 DFPTVRQXBAFIBT-QGZVFWFLSA-N 400.527 1.813 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(=O)NC 1588173711 HJZGSKFXORQNER-UHFFFAOYSA-N 407.478 1.161 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1588646928 PPIMABMCXFIZII-QGZVFWFLSA-N 424.567 1.473 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCO[C@@H]1C(C)C 1588672982 JOCKOJZXKUCXJX-WIYYLYMNSA-N 417.554 1.938 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588733471 UQPVNTKPIXFFSS-OALUTQOASA-N 414.554 1.475 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1594812825 KYQHJFUNQDGWKD-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1595544409 HUJLSGJXLCSYPI-DLBZAZTESA-N 407.515 1.105 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1595562335 VMLQUXJDFUIBGF-GUYCJALGSA-N 416.551 1.940 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccco1 1595761097 XRBBMXCELXSTHV-OAHLLOKOSA-N 421.523 1.952 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc2c1OCCO2 1597338335 RHWWPQBYYAYXLJ-UHFFFAOYSA-N 415.471 1.245 30 10 HDEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1603169861 CTTOKQORTPWKLY-ZWOKBUDYSA-N 416.526 1.580 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c(=O)c1C#N 1611230491 BKBWITNUMUFNPX-OUCADQQQSA-N 421.295 1.864 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccc(Cn3ccnn3)o2)c(=O)c1C#N 1611230787 HEROMHLOWXTUSJ-UHFFFAOYSA-N 417.223 1.716 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCCO2)n1CC(=O)N1CCOCC1 1617868523 DNCHOUNQWFXWAD-LJQANCHMSA-N 424.505 1.887 30 10 HDEE COc1ccc(C(=O)NCC2(C#N)CCCCC2)cc1S(=O)(=O)N1CCOCC1 1617976951 COCJMHLQIZTQLZ-UHFFFAOYSA-N 421.519 1.920 30 10 HDEE COC(=O)c1cc(Cl)cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1617989014 FDLSMTIIWVYODZ-UHFFFAOYSA-N 407.835 1.915 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1618502762 WDGKMCCAARYZLI-DLBZAZTESA-N 421.505 1.304 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CN(C)C1=O 1619913402 BRBNZNIXSMYSPJ-LJQANCHMSA-N 417.539 1.479 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1620077036 CGJKAPCTZOEKIL-GOSISDBHSA-N 410.478 1.291 30 10 HDEE C#CCN1CCN(C(=O)CN2CCOC[C@@H]2c2cccc(Br)c2)CC1 1620423021 SDFJQHSONXHDKS-GOSISDBHSA-N 406.324 1.600 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1622227513 ZVYDHTVPSLTFMU-CYBMUJFWSA-N 402.266 1.187 30 10 HDEE CN1C(=O)CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1627040965 IOLHRYSZTIPEQH-AANAODBRSA-N 404.467 1.037 30 10 HDEE COC[C@]1(C(=O)N2CCC(C#N)(C(=O)OC)CC2)CCN(C(=O)OC(C)(C)C)C1 1627417082 GUFLNXARNCFKCC-FQEVSTJZSA-N 409.483 1.565 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1629167175 LQCNEHZOBKGZNZ-CQSZACIVSA-N 419.279 1.409 30 10 HDEE C[C@@H](O)[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1629766944 YFXLYDIXGGVBOL-DYVFJYSZSA-N 400.435 1.631 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)c1 1637474840 CDSRDXSTXUBUDM-INIZCTEOSA-N 406.504 1.193 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CCCCO)nnc12 1638714860 SMZUBSFLIBURAD-AWEZNQCLSA-N 415.519 1.990 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CCCO2)cn1 1638859693 HDAXEUFPCMJHCX-IFMALSPDSA-N 408.506 1.845 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1639032313 NPEBRYICVXMKMU-RYRKJORJSA-N 419.503 1.597 30 10 HDEE CN1C[C@]23CCCC[C@]2(C1)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C3 1639139416 RXOYRBOXSXXVNV-PMACEKPBSA-N 402.520 1.171 30 10 HDEE C[C@H](C(=O)OC(C)(C)C)N(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1639328293 HMAOFWPZTJUTBP-CYBMUJFWSA-N 421.519 1.836 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)OCC(F)(F)F)c1 1640872809 ZYCAJCCXJGOPBA-UHFFFAOYSA-N 406.382 1.166 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(Oc3ccccc3)cc2)c(=O)n1CCO 1644183673 LIZDGYQHQFNNRQ-UHFFFAOYSA-N 405.410 1.858 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1 1644821578 NZGZFKNOGDXVME-WFASDCNBSA-N 404.410 1.780 30 10 HDEE C#CC(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1645272490 YHUMQJFOSBEWOP-UHFFFAOYSA-N 405.520 1.066 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](O)c1ccnn1C 1646474229 DXJAQOADXWONEF-CQSZACIVSA-N 423.267 1.682 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1CC1CCOCC1 1648372597 PZICQEOAKLDCQT-CRAIPNDOSA-N 421.519 1.269 30 10 HDEE N#C[C@@]12CN(CC(=O)NCc3ccccc3OC3CCCC3)C[C@H]1CS(=O)(=O)C2 1648415532 KVMMOKBXDIWOEJ-UWJYYQICSA-N 417.531 1.494 30 10 HDEE C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1648415849 QEGWNZJLOMZLNC-NJSLBKSFSA-N 418.544 1.513 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1648800053 YUTXAMATLOTXMQ-CHUNWDLHSA-N 424.423 1.171 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCN(C)CCOC 1649624218 CVLZURDZCFENKP-UHFFFAOYSA-N 411.554 1.613 30 10 HDEE CCCCN(C(=O)CN1CC[C@](C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 1655141217 JZXWFQNMGOIOPR-HXUWFJFHSA-N 404.515 1.556 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 1668184712 QNSBCAAYFFUFQZ-XLNRJJMWSA-N 417.495 1.599 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1668747939 DHZNXUHMVROPHG-UHFFFAOYSA-N 407.369 1.278 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1669958700 FPERHQUCEHDYFG-IYBDPMFKSA-N 411.462 1.894 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1 1673988687 KOOBXSNONDVDLN-HXUWFJFHSA-N 423.517 1.719 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@]4(CCSC4)C3)C2=O)cc1 1680778743 LPXCHEWLCSNVFP-FXAWDEMLSA-N 400.504 1.577 30 10 HDEE CCN(C(=O)CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 1685214419 DPKQONPBPHQTDX-UHFFFAOYSA-N 409.494 1.485 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986295 MTKHIFAKUBBKLG-UZLBHIALSA-N 417.535 1.374 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1690057820 JGQPTHISSJVOMU-UHFFFAOYSA-N 416.507 1.210 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690077183 KNDQXYOCROYSNG-LEWJYISDSA-N 409.534 1.856 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690308132 CDCJYFRNSKTFPH-INIZCTEOSA-N 420.539 1.403 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690469503 RKVSGVDMTMPSHO-UHFFFAOYSA-N 417.558 1.127 30 10 HDEE Cc1nnc(N2CCO[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693517577 ZJOVQOONIMDPCU-ONNQFXDFSA-N 408.462 1.691 30 10 HDEE CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696591397 LWXAMGQUIDDIRQ-UHFFFAOYSA-N 409.494 1.634 30 10 HDEE C=CCOCCCC(=O)N1CCO[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1701334078 ZKNKNXWENWSCIM-JIPVWKOYSA-N 404.507 1.223 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1705476212 TWWHLKZCHCGTHU-CVEARBPZSA-N 424.496 1.328 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1705589337 PFJWFKLFZPGMNC-KRWDZBQOSA-N 421.567 1.437 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(F)c2)CC1 1705632269 LCIOCNMLDKPRMY-UHFFFAOYSA-N 419.464 1.868 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@H]2OC)CC1 1705635323 WEUFIJJAZKQEBW-GBESFXJTSA-N 405.543 1.572 30 10 HDEE C=C(Br)Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NCC)CC1 1705680724 GEOQNWXSJYPSCE-CYBMUJFWSA-N 413.364 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705899384 QNFDGHXGVIKBGY-AOMKIAJQSA-N 422.489 1.503 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(NC(C)C)CC1 1705938548 BUJBMWALCZSTQE-QGZVFWFLSA-N 411.572 1.697 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1706069960 INNYWBSHJFTXEN-WWMYMODYSA-N 416.526 1.838 30 10 HDEE N#CC1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712882640 JQALZJRAVPUDPW-CZIZESTLSA-N 418.461 1.606 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1712887578 LRULIRNMAPGWGH-KRWDZBQOSA-N 409.494 1.844 30 10 HDEE C#CCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1719662017 SSLUVNCJNOYFLM-SIFVSHMBSA-N 400.519 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CC1(C(N)=O)CCOCC1 1722377575 CAZZLMJMGYTSDG-UHFFFAOYSA-N 411.893 1.953 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1722397603 SCKRIWRUNNIMSS-QGZVFWFLSA-N 405.568 1.754 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2oc(CCC)nc2C)CC1 1722437956 LZZNCCPPBIRQET-UHFFFAOYSA-N 406.494 1.788 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCC2)CC1 1722445081 LCFGVNPJSWDORN-UHFFFAOYSA-N 423.517 1.835 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722627882 SHRJOBOWLVWOIB-OAQYLSRUSA-N 421.542 1.580 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1722631269 IWEFEFPLBUSLOR-PBHICJAKSA-N 424.546 1.953 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1722680078 WBWQZLPYQXHXCH-KRWDZBQOSA-N 418.542 1.659 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722700331 FOEQUHHJTWURPR-GOSISDBHSA-N 410.522 1.698 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC)[C@@H](C)C1 1722728931 ZXYZDCRUVRDPLP-DLBZAZTESA-N 411.572 1.651 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1723700602 GSOOIAULKNBOKW-MOPGFXCFSA-N 424.505 1.726 30 10 HDEE Cc1coc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1725020167 KWLKPIUFWBZLIB-KBXCAEBGSA-N 407.471 1.880 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C)n(C)c1=O 1730817354 WDHSDDZRJANUEW-GOEBONIOSA-N 402.499 1.653 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740567425 RBIDUJRBQWFDSA-HZPDHXFCSA-N 407.478 1.444 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740571630 QUMPMPBSNXGCOI-MOPGFXCFSA-N 414.554 1.581 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1740592332 VWRKNRROXXSMHT-UHFFFAOYSA-N 408.510 1.144 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1740624929 LBEQYUBPFDJRPI-IBGZPJMESA-N 424.530 1.701 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625472 NYWGIGIDTAYRCL-GOSISDBHSA-N 424.567 1.301 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1740637651 ACJRETVSZQCJAS-UHFFFAOYSA-N 424.505 1.189 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1740638657 LMJKIBBBBGDMJV-KRWDZBQOSA-N 408.531 1.422 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC(C)(C)C 1740646226 SYJUFHWBPMAESC-UHFFFAOYSA-N 421.505 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CC1 1740656212 IOGUNNLMKVZABY-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCC(=O)NC 1740675782 IEVJEZUWQKGVEG-UHFFFAOYSA-N 400.458 1.331 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1740693088 TTWAMSCNKMXAEP-BWAGFHJFSA-N 419.570 1.483 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCn2cc(C)cn2)CC1 1740698440 GBSWUADMBLRGOS-UHFFFAOYSA-N 407.526 1.100 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)C1 1740761768 AFXKODMTQPJNNJ-HNAYVOBHSA-N 416.551 1.893 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1740900271 OILCBHLSZRKQAR-OAHLLOKOSA-N 422.530 1.733 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1740941940 XEWXORLLHNFCEU-AWEZNQCLSA-N 402.586 1.961 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(C)(C)OC[C@@H]1C 1740955605 ZTNHMMAPKWHKCD-AWEZNQCLSA-N 413.478 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H]2C[C@H]1CO2 1740992917 PMEJTIJQZWGEKT-IRXDYDNUSA-N 403.508 1.232 30 10 HDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741754191 JMHGZBRYVOEYEQ-QGZVFWFLSA-N 412.494 1.855 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1746683935 HUBQIUPQLSVSEQ-NHCUHLMSSA-N 416.526 1.539 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1748105287 PHUHVVWKGDPOOO-FHLIZLRMSA-N 412.494 1.175 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1(OCCOC)CCOCC1 1748677133 CWXKNJXHEVELLI-SFHVURJKSA-N 413.522 1.934 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1748820358 AFGPLISXSWVDAC-KRWDZBQOSA-N 414.535 1.198 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748926706 HYIVRQBDOLVYHL-NVXWUHKLSA-N 412.469 1.172 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749022181 GPMAFSAKHZGYFX-UHFFFAOYSA-N 419.555 1.620 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1749246619 GWJRRXXNFUEAHR-UHFFFAOYSA-N 408.934 1.568 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)CC1 1749343043 VYHJKNQNKNGTLK-CRAIPNDOSA-N 412.581 1.451 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1749440563 HLQVOYGIAHXGQE-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749740967 LTOBERZLHGYZQH-AWEZNQCLSA-N 413.569 1.057 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1750504697 ISVHRCBJBWTCGJ-HNNXBMFYSA-N 413.482 1.984 30 10 HDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CC1 1751247844 FDBGULNWFHLTHK-YCRPNKLZSA-N 410.478 1.201 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760135613 CGDZSINDYNMWHT-UHFFFAOYSA-N 418.567 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1760194060 XXFVOGWYAFVDIL-QHCPKHFHSA-N 420.517 1.287 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1760224721 WIZRUCMWKGAQSF-UHFFFAOYSA-N 412.885 1.498 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[S@@](=O)C(C)(C)C)CC1 1760262925 GYEYDUMGNGFVER-GDLZYMKVSA-N 414.579 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)nnc1C(C)(C)C 1760558446 PCWONWNQEMUDIJ-UONOGXRCSA-N 420.601 1.434 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760563863 GVGAPMFSAXVOLT-UHFFFAOYSA-N 423.568 1.126 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1765921752 HCPQCJSDYSTMSU-JXFKEZNVSA-N 419.432 1.985 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1768585577 SVPUWSWTKNQKTC-AEFFLSMTSA-N 410.478 1.079 30 10 HDEE Cn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1769015656 GRNZXZRRZQEYNL-GOSISDBHSA-N 414.470 1.493 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccco1 1769977393 HTTNAXPXDGCIJQ-HNNXBMFYSA-N 416.482 1.765 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOCC2CCOCC2)CCO1 1770746582 BTTOURNUZGNNRE-OALUTQOASA-N 419.526 1.734 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1772842527 KMBOGWOIMMUVLT-PSBQPLHCSA-N 404.496 1.513 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)NCC#CCOc3ccc4c(c3)OCO4)cc21 1848917397 MJWYAXCJOUOXOS-UHFFFAOYSA-N 416.411 1.221 30 10 HDEE CCc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1-c1ccc2c(c1)OCCO2 1850670745 YRQDOBFXVCRFRP-UHFFFAOYSA-N 410.478 1.566 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1853759056 QKCFWQQANNURAB-VQIMIIECSA-N 412.465 1.932 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1 1854503092 RWGYAIHHRXVRQC-INIZCTEOSA-N 423.510 1.473 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](C3CCN(CC(=O)N4CCCC4)CC3)CC2=O)ccn1 1855139010 HWMAZVRZAYOTSX-GOSISDBHSA-N 409.490 1.276 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@H](N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O 1855447461 KWPSJMWXEZMKMC-BEFAXECRSA-N 420.531 1.883 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H]4COC[C@H]4C3)ccc21 1855555909 AGEAVAXUGDJPPR-IYBDPMFKSA-N 404.488 1.726 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@H]2COc3ccccc32)CO1 1855929479 YOFTVVSXNQUWPX-ZBFHGGJFSA-N 400.412 1.582 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)c1 1856155070 MEYWQZCPINHLEM-GOSISDBHSA-N 400.479 1.721 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(Cc4ncnn4C)CC3)CC2=O)cc1C#N 1856174574 VWWDFWQATSYUQW-LJQANCHMSA-N 406.490 1.896 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)Cn3c(=O)sc4ccccc43)C1=O)CC2 1856554334 ZPGHTYZJGZAUFM-GDBMZVCRSA-N 410.499 1.816 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccnc(OCC)c2)C1=O 1856739177 AOVDOSHRHHSJCF-IAGOWNOFSA-N 400.479 1.330 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC([C@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)cc1 1857133044 IXAJCCPEUHHQIM-UXHICEINSA-N 409.486 1.865 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC([C@@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)cc1 1857133048 IXAJCCPEUHHQIM-WOJBJXKFSA-N 409.486 1.865 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1=O 1857150578 QMAUYFPWKQRQDI-IUODEOHRSA-N 404.421 1.032 30 10 HDEE CCc1nccn1CC1CN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)C1 1857253242 TZNSIGNUNWIUFF-LJQANCHMSA-N 405.502 1.867 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N(CCC#N)[C@@H](C)C(=O)O)CC2=O)cc1OC 1866319733 FQRNJFXQZCNINP-GOEBONIOSA-N 417.462 1.310 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867018833 BQDWRTHIAJIODE-GOSISDBHSA-N 417.462 1.798 30 10 HDEE N#Cc1ccc(COc2cn(CCCO)c(CN3CCC(CO)CC3)cc2=O)cc1 1870349254 GORWIIAISVMLER-UHFFFAOYSA-N 411.502 1.886 30 10 HDEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2C)[nH]c(N(CCO)CCO)n1 1871708998 JZEABZUBWMAGGK-UHFFFAOYSA-N 415.542 1.581 30 10 HDEE COC(=O)c1sc(C2=C(N)N(Cc3ccc(OC)c(OC)c3)CC2=O)nc1C 1872724659 NRMWNODSLUZHOO-UHFFFAOYSA-N 403.460 1.968 30 10 HDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(Cc4ccccc4)CC3)ncnc21 1873595723 OVOMSGUDVPKTQV-UHFFFAOYSA-N 420.517 1.662 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)CC(O)C1 1990024001 IYNPGRWGSYHYPG-UHFFFAOYSA-N 410.320 1.955 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)C1 2142776484 DKGHDNVGOOMNDL-GOSISDBHSA-N 416.503 1.730 30 10 HDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CC[C@H](C#N)C1 2174781485 GJFWGMXFTWMRSQ-CABCVRRESA-N 402.517 1.034 30 10 HDEE C[C@H](O)CN(CCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)OC(C)(C)C 2174784621 PYWIQMKHUAIZHU-LBPRGKRZSA-N 401.460 1.594 30 10 HDEE CO[C@@H]1C[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 2174785994 FEPWOLKGJKGOSK-RBSFLKMASA-N 402.517 1.081 30 10 HDEE CC1(C)OB(c2csnc2CN2CCCC[C@@H]2CS(C)(=O)=O)OC1(C)C 2235513356 JTHPUZNLWOHHKJ-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE CO[C@H]1C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243677404 VTXKHVVAURHOLW-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819925 KYEZWMYGOXAVIM-JSGCOSHPSA-N 420.319 1.694 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N(CC(N)=O)Cc3ccccc3)c(F)c2)OC1(C)C 2247837628 VNOBAGUSOQFZQV-UHFFFAOYSA-N 413.258 1.648 30 10 HDEE Cn1cc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247844382 BCXFRCLGEKJSKQ-MDZDMXLPSA-N 420.319 1.530 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1 2247844944 JXZPZNODIVVOOD-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247861923 RMJOEHNBEOMBPT-UHFFFAOYSA-N 423.319 1.585 30 10 HDEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2247864080 ZWYYZQLMIZEBAK-UHFFFAOYSA-N 421.303 1.937 30 10 HDEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247928229 ZAWUXOCTFHFRQU-UHFFFAOYSA-N 418.303 1.561 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(OCc1ccccc1)C1CNC1 2247928947 IGJGQVAMDUBTLY-UHFFFAOYSA-N 411.311 1.870 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2248443425 YTNNTGALWSEOFJ-CQSZACIVSA-N 424.278 1.949 30 10 HDEE CN(Cc1cnsn1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267713266 NHPFSPQUDZAMDU-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](CO)[C@@H](N)C3)c2Cl)OC1(C)C 2281937218 WYXRIGDOLWIELG-PWSUYJOCSA-N 400.737 1.482 30 10 HDEE Cc1c(C(=O)N2CCCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282053708 JVGKKMOYFZWSSZ-AWEZNQCLSA-N 405.304 1.395 30 10 HDEE Cc1cc(S(=O)(=O)NCC(C)(C)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282310384 SPIOGIDZKABYKQ-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCCN1 2282317366 PWZBNSRGDXLUME-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1C 2282331495 OJAKRGAASOKYLE-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CCCN([C@H]1CCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332403 AEKCEQACTCXQGC-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H]2CCO)OC1(C)C 2282338002 OKZLKXPTMXKWPV-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE C=C(CS(=O)(=O)N=[S@@](C)(=O)C[C@@H](N)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282418886 LIWYHHNEZGITIR-SHZVTRLKSA-N 408.395 1.975 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282495558 NYJYTXVMSZYSHD-RUZDIDTESA-N 401.359 1.126 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@](C)(O)C2)OC1(C)C 2282500115 IBZHTUXJRICFMZ-KRWDZBQOSA-N 401.721 1.785 30 10 HDEE C[C@H]1COC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504695 SILGPUIDOPPPRU-AAEUAGOBSA-N 402.347 1.239 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282618413 MJKVODYGZJWYES-MNOVXSKESA-N 400.331 1.090 30 10 HDEE C[C@@H](C1CNC1)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829038 YMVBPRSJNYVODF-JTQLQIEISA-N 420.793 1.929 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](CO)C[C@H]1C 2282836999 RJGMTZAQXYXKIX-YPMHNXCESA-N 401.359 1.747 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cscc1F 2282854091 NGVYFOGDAJGJHS-UHFFFAOYSA-N 401.294 1.398 30 10 HDEE CN1CCC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282854677 UUXKQZUVASIUMQ-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284404699 YUCZGUNAHLLFFO-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3COC(=O)C3)c(Cl)c2)OC1(C)C 2296241981 UMMHMMWMLCYLBM-NSHDSACASA-N 401.677 1.233 30 10 HDEE COc1cccc(C=CC(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 2328107007 QTJYIVDLVCVHCH-FPOVZHCZSA-N 421.497 1.944 30 10 HDEE C#CCN(C(=O)c1c(Br)c(Br)nn1C)C1CCNCC1 2364229685 CNUBJVJCGIGGGW-UHFFFAOYSA-N 404.106 1.773 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367789658 DMTLMCGJGRNAAR-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2370742532 CQBWCMRGGHHJGM-KGLIPLIRSA-N 401.359 1.827 30 10 HDEE N#CCCn1cc(CN2CCC[C@H](C(=O)N3CCOCC3)C2)c(-c2ccncc2)n1 435131294 YQUFAOTUIXOSBX-IBGZPJMESA-N 408.506 1.930 30 10 HDEE Cn1cc(C#N)cc1C(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 435452441 ONWYMXPTLIOZJW-KRWDZBQOSA-N 401.430 1.804 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 441220352 TXPMDBNHQZDKFV-VVUXQZRGSA-N 419.865 1.964 30 10 HDEE COc1ncccc1CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 461469012 RWPMOGHGVNHCRU-QGZVFWFLSA-N 407.430 1.526 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 469221370 ZCVQXAPKOMRXLE-UHFFFAOYSA-N 401.492 1.535 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)Nc2ccn(CCN3CCOCC3)n2)cn1 470499451 WMSILWIAWIPQJV-UHFFFAOYSA-N 407.438 1.312 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)cnc2c1c(=O)n(C)c(=O)n2C 483200817 NTYRETKBJJTJJN-ZDUSSCGKSA-N 414.425 1.628 30 10 HDEE Cc1noc(CN2CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 500319412 VUDBCPQTYOCFTN-GFCCVEGCSA-N 400.508 1.945 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]2CCCO2)c1=O 505700586 QELMCWRYYXDNPB-HNNXBMFYSA-N 414.531 1.249 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507369085 KUYDYWPZKGIGRR-LJQANCHMSA-N 415.556 1.814 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 508495638 ANAPLWSAKJQSQG-INIZCTEOSA-N 409.487 1.573 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 508908591 UQBMBLGFAZVXMS-INIZCTEOSA-N 408.466 1.522 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 508917334 JBFZBNTZQZLLNF-QZTJIDSGSA-N 404.515 1.907 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCSC[C@H]3CCO)C2=O)cc1 511365136 VVDPQWQIKZNRID-CVEARBPZSA-N 402.476 1.090 30 10 HDEE N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 518026888 RYUFXWAFUPCRSY-KURKYZTESA-N 403.504 1.801 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(Cl)cc2)CC1 521233853 SVHKXMBKESYLSL-OAHLLOKOSA-N 406.895 1.440 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CC1 522845575 SCEUMTBZQURNKX-QGZVFWFLSA-N 420.485 1.835 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@H]1CCCO1 526082300 NZHYQHDFISAJDA-CYBMUJFWSA-N 421.881 1.130 30 10 HDEE CCC(CC)[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 546882110 OOZMOPLREVWBJW-FQEVSTJZSA-N 414.554 1.922 30 10 HDEE CNC(=O)CNC(=O)c1cccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1 554759327 HWKYSKFGONJFNN-UHFFFAOYSA-N 423.473 1.715 30 10 HDEE CN(C)CCCNS(=O)(=O)c1ccc(-c2noc(-c3ccnc(C#N)c3)n2)cc1 574723079 CCQALJCSIMAHTB-UHFFFAOYSA-N 412.475 1.900 30 10 HDEE C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 578416704 QWGIEVXDFVYTSZ-AWEZNQCLSA-N 416.521 1.880 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H]2CCN([C@@H](C)c3ccccc3)C2)C1=O 591152556 UWVGKDAQPQUUSC-FUHWJXTLSA-N 412.490 1.647 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC#Cc2ccccc2)CC1 642019921 QFADYLOSOLDUJY-UHFFFAOYSA-N 400.504 1.595 30 10 HDEE CO[C@H](C(=O)NCC#CCNC(=O)[C@@H](OC)c1ccc(O)cc1)c1ccc(O)cc1 683869017 KBQUKEZOBGYIHO-PMACEKPBSA-N 412.442 1.409 30 10 HDEE C#CCN(C(=O)Cn1c(S)nnc1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729332628 RUZRFCGRCGGJOP-OAHLLOKOSA-N 404.517 1.191 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 729808342 AQZQQEQHLHYXBS-OWSLCNJRSA-N 406.548 1.924 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc(Br)ccc1F 732445214 IFJTTWYRDQJNAF-CCEZHUSRSA-N 411.231 1.914 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2cnn(CCC)c2)c1=O 735068589 FDMWDENULZKLTD-UHFFFAOYSA-N 423.498 1.115 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746173335 CPRYAALWQGPEFK-DNZUHHBVSA-N 406.483 1.809 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758771244 ZWCDJXVJSQEOHC-CHWSQXEVSA-N 402.517 1.210 30 10 HDEE C#CCN(C(=O)c1ccc(I)c(O)c1)[C@H]1CCS(=O)(=O)C1 760849037 PPNFWPXBCJGPBR-NSHDSACASA-N 419.240 1.259 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCF)C1=O 767732315 CDBZALNYRILILF-MRXNPFEDSA-N 405.499 1.917 30 10 HDEE C=C(COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 771449823 ZHDDIUXOAPHBPX-FQEVSTJZSA-N 404.419 1.433 30 10 HDEE COC(=O)Cn1cc(CCOC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)nn1 772678216 CUFGYBLZRGUYRT-UHFFFAOYSA-N 407.386 1.910 30 10 HDEE C#CCN(C(=O)NCC(C)(C)N1CCc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 774169871 XJXZDSJAMDATEY-IBGZPJMESA-N 403.548 1.655 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)c3ccc(C4(C#N)CC4)cc3)ccc21 774930811 QFKGNGBBVPXLKI-UHFFFAOYSA-N 410.455 1.551 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 780933965 DQVBCUNUXCKKPT-FQEVSTJZSA-N 410.449 1.305 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(OCCN(C)C)c2)cc1C#N 787173471 AAWZDOUPFIBNPB-UHFFFAOYSA-N 410.474 1.440 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 804455540 IJXKQMIKTIEBKY-FBBABVLZSA-N 414.527 1.774 30 10 HDEE N#Cc1cnn(C(=O)[C@@H]2[C@@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@@H]23)c1N 810202948 BEMIIAKFSJQOPQ-NVTXSZTESA-N 413.437 1.457 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cc(C#N)cc(N(C)C)c2)C1 814572117 BBDGRQKLAHVVEH-GDBMZVCRSA-N 401.463 1.971 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 816640590 OVDBNVFPRIUGLO-UHFFFAOYSA-N 420.516 1.518 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1124429414 TWPZCUCZKQBELK-CJNGLKHVSA-N 400.884 1.891 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1=O 1126112266 JBDSRJFFAUCBRA-HNNXBMFYSA-N 415.291 1.998 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CC2)c1C#N 1128030013 GUOGTWBSZDAHFS-JOCHJYFZSA-N 406.490 1.097 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)c1cccc(COc2cccc(C#N)c2)c1 1132229956 AMMCZLNFGSZIJY-UHFFFAOYSA-N 409.442 1.936 30 10 HDEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134428937 HVMGMQNQIQARMD-OXFYSEKESA-N 404.488 1.372 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1134649915 RGMOISIYHHGXJH-XHDPSFHLSA-N 401.257 1.527 30 10 HDEE CN(C)CCSc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1 1136107519 KZXVGUDSCGJMPS-UHFFFAOYSA-N 416.576 1.955 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](C(N)=O)c2ccccn2)C1 1141342499 CDDVEOPCRAXBST-INIZCTEOSA-N 414.263 1.495 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(O)cc3O)CC2)cc1 1142530212 NDZNUDSJIBBMRL-UHFFFAOYSA-N 415.471 1.687 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CC[C@](O)(CC#N)C3)cnn2c1 1143189781 AUPAXJJRWHNIMT-HXUWFJFHSA-N 414.466 1.287 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)c1=O 1165302750 CHIQRNDBBOGCMB-MRXNPFEDSA-N 420.510 1.581 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)C1CCOCC1 1207978579 RITXEFHZFNRLNR-JYRCXFKTSA-N 406.508 1.951 30 10 HDEE CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2c(C#N)sc3ccccc23)CC1 1209333557 RAARWFSPKXWDTL-UHFFFAOYSA-N 420.516 1.132 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1224033279 PTHGWAHOHIDKHA-FUHWJXTLSA-N 405.520 1.651 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)C1 1233850322 BSTXLZKWEWCLCM-ULQDDVLXSA-N 419.526 1.932 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)[C@H](C#N)C1 1233851753 HYLPZGCFWYQETB-UKRRQHHQSA-N 407.471 1.372 30 10 HDEE CC(C)C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1277188344 ITAXXRBVVVCITB-SJORKVTESA-N 424.542 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1286290672 AOOBDEGMYILPOK-GDBMZVCRSA-N 422.511 1.085 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1286299069 SDNMURWFCYOSIU-HIFRSBDPSA-N 406.483 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1286409094 IDDBGFGQURXFHH-GOSISDBHSA-N 417.579 1.375 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286556442 PISHUWJUIUPNAF-VXNCWWDNSA-N 403.527 1.855 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1286726058 AJAFJKDLCZGKTI-MRXNPFEDSA-N 424.527 1.081 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCOCC2)C1 1286803860 HRPPAAKUAATXJJ-GOSISDBHSA-N 415.542 1.571 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cccc(F)n2)CC1 1298256027 NNJPBTNWMYRZNP-CQSZACIVSA-N 417.466 1.108 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1C[C@H](F)C1 1298743844 RDBBGKBFMFVLJU-CZIWCDLHSA-N 420.514 1.940 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1299332691 AEDJTRZIGNZLGZ-IAGOWNOFSA-N 408.462 1.485 30 10 HDEE COc1ccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)cc1OC 1300076391 FXHXWVPXQVEYJP-UHFFFAOYSA-N 422.445 1.802 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300403398 IWJWJVCSPDSRLL-SFHVURJKSA-N 410.526 1.674 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1300491354 HJIVMCNOCNFVJO-KRWDZBQOSA-N 415.519 1.624 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300496932 WMBXZQFOHPBANB-FUHIMQAGSA-N 408.568 1.654 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 1301079738 JTILCVWMAMLWCC-KRWDZBQOSA-N 401.559 1.412 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1301252517 OZRZONGIMBWGSZ-INIZCTEOSA-N 407.515 1.657 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CC)nc1C)C1CC1 1301313661 DWACVMDVVNRNTF-ZDUSSCGKSA-N 408.528 1.950 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1301425394 HWZXRZDSWZKBKH-JOCHJYFZSA-N 423.521 1.634 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)C1 1301543596 NAPRWHGHCSCWGR-UWJYYQICSA-N 421.542 1.625 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1303935237 HGUDLMBBWQGHDD-YJYMSZOUSA-N 405.476 1.059 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)c1 1306651904 MZBKKKHAZPJOKK-AWEZNQCLSA-N 412.537 1.068 30 10 HDEE CC1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[S@@]1=O 1307769240 ARTGGGGTTOVEHW-XBBWARJSSA-N 420.554 1.768 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCOC)CCOC1 1314120159 JWVFVAAQXWTUPW-WOJBJXKFSA-N 407.515 1.723 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@@H]2CCOC2)CCO1 1316540432 VNYLJYBNMHXOCT-RCCFBDPRSA-N 405.499 1.344 30 10 HDEE C=CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)OCC 1320134302 VVDZDCUNQYLZHO-KRWDZBQOSA-N 423.535 1.775 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC)C1 1321306858 LSYLDEYCXRJZSS-MRXNPFEDSA-N 405.524 1.997 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)cc1 1355436079 GETJQPXQSWNVGG-UHFFFAOYSA-N 414.466 1.971 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 1357658649 GAVHGOFCHZBFEN-KRWDZBQOSA-N 418.519 1.407 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCC1(O)CCOCC1 1358984436 VETWGRQELOZAAS-UHFFFAOYSA-N 415.538 1.591 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@@H]1C 1358989403 ASXHLGWSEBQQMI-ZHRRBRCNSA-N 408.458 1.677 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1359000008 JNDCGHAHMYGHBF-IAGOWNOFSA-N 410.588 1.612 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)C(C)C)CC1 1359034348 NEYJSVRZEDSGOX-UHFFFAOYSA-N 409.538 1.566 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)[C@H](C)CC)CC1 1359038096 KNVHUWMVXKAFSU-MSOLQXFVSA-N 402.543 1.217 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359132687 CECQGILZLQXDBN-SJORKVTESA-N 404.515 1.321 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359207427 KLXQLVYARMGALZ-UHFFFAOYSA-N 414.489 1.736 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359225504 AXDHFOXVKLEVNW-SJLPKXTDSA-N 415.494 1.601 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C)C1CC1 1359251240 GIZCATHMCWOWCM-AWEZNQCLSA-N 409.556 1.497 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359287517 HPOHIFIPPOXIMI-ULQDDVLXSA-N 409.556 1.814 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1359291358 NFWKSGTUARRHTL-IRXDYDNUSA-N 400.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359301261 VQTBPTVTYOCGJV-HZPDHXFCSA-N 415.498 1.235 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359455985 JRNLCDXGMFVXMK-HXUWFJFHSA-N 418.505 1.520 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1437714632 MAFCJSVKOJDUMI-AWEZNQCLSA-N 406.450 1.041 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)Cc1ccccc1CC#N)CCS2(=O)=O 1439952226 PFKDNLCNJBQPSS-OHTSDLOESA-N 404.488 1.310 30 10 HDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nnc2n1CCCCC2 1440937113 IYCHYCBOPLKCMV-GFCCVEGCSA-N 405.455 1.932 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C23CCC(CC2)N3C(=O)OC(C)(C)C)CC1 1443361913 ZJSMBKCDSULNAB-UHFFFAOYSA-N 418.538 1.202 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc([S@@](C)(=O)=NC)c1)c1cc[nH]n1 1449520717 HENUBYOZXNIUMM-MUUNZHRXSA-N 407.452 1.419 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1cc[nH]n1 1452525533 ISPCFXXZKPKVAX-JQWIXIFHSA-N 406.361 1.310 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCc3ccc(C(=O)OC)cc32)cc1 1455301328 MYZUYDRFELOSRW-UHFFFAOYSA-N 412.467 1.978 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CCCON2C(=O)c3ccccc3C2=O)C1=O 1458937722 YVVHZBIGEQYXGU-QFIPXVFZSA-N 418.409 1.943 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c(=O)n1C1CC1 1459216602 GABHRYKZTLSVLR-INIZCTEOSA-N 407.474 1.168 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c1 1460620461 LRFUADMUCNWICE-WOJBJXKFSA-N 419.485 1.821 30 10 HDEE CN1CCC2(CCC(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1468424870 ZVTLHZWNFXPRLY-UHFFFAOYSA-N 404.536 1.607 30 10 HDEE C#C[C@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 1468502361 DHDVMWHUQNIGFO-IBGZPJMESA-N 418.925 1.716 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1470393667 FJRNTHQVTZVGHY-LPHOPBHVSA-N 407.492 1.478 30 10 HDEE CN1CC[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@@H](c2cnn(C)c2)C1 1471984293 SYSUGVVPKUALOA-SLFFLAALSA-N 407.522 1.825 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C4CCCC4)[C@H](C)C3)CC2)o1 1473798889 YVEDCTPGBLITIA-MRXNPFEDSA-N 400.527 1.452 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 1477726795 OZFAOJOQDIFUFQ-QGZVFWFLSA-N 421.339 1.966 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1478822933 KDPMWIDBSHXPPC-HNNXBMFYSA-N 405.474 1.066 30 10 HDEE Cc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)s1 1492772607 FIWWWJKOYVIIOE-AWEZNQCLSA-N 421.552 1.519 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1501406739 GNFHIZASNMROKY-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1501409431 AHLCDYXMRJFHLW-UHFFFAOYSA-N 419.493 1.345 30 10 HDEE CCOCc1nnc(N2CC[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503046154 WXMGDPSWEPQGQZ-RAJOGRCSSA-N 402.499 1.823 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F)[C@H]1CCOC1 1503416678 WFMCHJZMNKGDJG-AWEZNQCLSA-N 408.384 1.720 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1507605483 UZRUEXIXKOUILM-OAQYLSRUSA-N 405.543 1.235 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507634268 YGEUAOPBNLLOQY-APWZRJJASA-N 424.592 1.430 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCSCC1 1507641934 MZLXFIDKGHHOBQ-HXUWFJFHSA-N 403.552 1.052 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCOCC1 1507657662 VWYMWTDWPKENFQ-UHFFFAOYSA-N 403.486 1.895 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1507768776 WQAABWDSSGQFBI-HTAPYJJXSA-N 406.490 1.629 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNC(=O)C(C)C 1507800756 PBLKBVUFTGPOSU-FUHWJXTLSA-N 413.526 1.925 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508071082 AUAIXSWEIAZPKK-FUHWJXTLSA-N 410.522 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1508131803 QGIFAQACDNCBBM-UHFFFAOYSA-N 423.583 1.984 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCC)C1 1508137779 QZTCARVNIJPTCA-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCO1 1508380003 SZKANIGLJUXTAO-YJBOKZPZSA-N 414.466 1.026 30 10 HDEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)c(=O)n1C 1510878428 AZQHCKSSWXUXCQ-KKSFZXQISA-N 409.494 1.415 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC 1513970046 DLFHCNWJYGSGMZ-UWJYYQICSA-N 412.494 1.319 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1517543186 BKHLRTVNGWPOIH-IBGZPJMESA-N 424.505 1.585 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n1 1533772473 FHKYPBFXENWJOB-UHFFFAOYSA-N 415.519 1.992 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1535346261 GGNZGIMTCHQVMC-ZDUSSCGKSA-N 409.236 1.669 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)ccc1F 1537950508 XJDMGQPUQRHLJZ-JKSUJKDBSA-N 413.540 1.600 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CC1 1538992291 OSBARCCNMUCQHX-CQSZACIVSA-N 418.519 1.997 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539165491 BPQQKMHJGCCSNE-INIZCTEOSA-N 424.530 1.844 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1539369582 MZBJDZRRWJWLJC-RCCFBDPRSA-N 421.567 1.446 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1539441920 ZPCOJLVZHLEEOA-UHFFFAOYSA-N 410.497 1.885 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1540069739 WMUZETWABCJDEI-MRXNPFEDSA-N 400.458 1.349 30 10 HDEE CO[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1540647618 CMMGBAUWTCPDSQ-AWEZNQCLSA-N 405.398 1.359 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1540770637 DTCQOZHWEZEECR-UHFFFAOYSA-N 409.483 1.842 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCS(=O)CC1 1540880425 GJAZQZPUOOUKPU-UHFFFAOYSA-N 412.519 1.860 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)n1 1542633311 GUWMNAGBSZRQQN-OXJNMPFZSA-N 413.551 1.815 30 10 HDEE CCO[C@H]1COCC[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120719 CYUOCXTXHMRRKE-MJGOQNOKSA-N 421.519 1.223 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)c1 1545482654 NYWNNMNORZJSDS-CYBMUJFWSA-N 420.418 1.830 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1554353489 DVBAJTYWLXUPGO-JXFKEZNVSA-N 414.897 1.729 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 1557534175 AASWMJGPXMLDLX-UCLAIMLFSA-N 415.519 1.486 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](n3ccnn3)CC2)cc1S(=O)(=O)NCC#N 1557705559 AIZRSRMDAOUTLS-MRXNPFEDSA-N 402.480 1.256 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@](C)(C#N)C2)cc1 1558602123 GAEIZOHOHOHWRT-IMFGXOCKSA-N 421.519 1.075 30 10 HDEE C[S@@](=O)C1(C(=O)NCC#C[C@@H]2CCCCO2)CCN(C(=O)OC(C)(C)C)CC1 1558750591 HMMRHZSXZACOSL-DEXQXJORSA-N 412.552 1.823 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1 1559481131 FCFCYIFMVOGAKG-LJQANCHMSA-N 413.449 1.660 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1C(=O)OC 1561154601 GQQNTONBQFFJKC-NSHDSACASA-N 407.897 1.490 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)OC)c1 1561876513 UBQWODPEOYTFEZ-QGZVFWFLSA-N 410.492 1.239 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1562327333 VMAVVKHBEBFCGG-MOPGFXCFSA-N 422.551 1.868 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)cn1CC 1562960235 HDOPELATDPCHRC-ZIAGYGMSSA-N 405.455 1.314 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCO[C@@H](C(=O)OC)C2)cc1OC 1565594476 DQFFNECMEVOHPD-GOSISDBHSA-N 408.451 1.625 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1566153170 QJWDTCVGLDCUJN-KBPBESRZSA-N 410.496 1.488 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3ccnc(F)c3)CC2)cc1 1569233153 WKBWUKMEQNBWEQ-UHFFFAOYSA-N 402.451 1.356 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC#N)CCN2CCOCC2)c1 1583777211 GHRGUDXAKSJXMT-UHFFFAOYSA-N 403.504 1.172 30 10 HDEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 1583841312 QKZODSHWKCACEA-UHFFFAOYSA-N 414.483 1.627 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CCOC1 1585020608 CXYMVLHVAHPEQQ-GOSISDBHSA-N 422.279 1.411 30 10 HDEE C=C[C@H](CO)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1585421408 DHSVLXFFEZUCIX-MRVPVSSYSA-N 400.254 1.957 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1587879563 VZDLAFPTWXQDCK-SFHVURJKSA-N 422.537 1.709 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)N2Cc3ccccc3C2=O)CC1 1588261879 KWHLNHAMYWORRQ-OAQYLSRUSA-N 416.481 1.838 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1588314917 VHXZQJOVNGZLMJ-UHFFFAOYSA-N 406.446 1.613 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC(C)C)N(C)C)CC1 1588733432 SKIRVQJAXVUVMU-GOSISDBHSA-N 403.575 1.148 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1589663153 JCVJZFAHGFUYKF-CVEARBPZSA-N 415.560 1.296 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1594775506 UTLJICHQXPEWEB-DYESRHJHSA-N 418.542 1.841 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1594963292 REGXRIHAEQNUEY-MRXNPFEDSA-N 421.523 1.271 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1595251827 XWEDCVGFXKDRQV-DYESRHJHSA-N 414.510 1.124 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1595602606 OMSZSBUNPUHBEB-DYESRHJHSA-N 421.542 1.485 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1595939209 LPTKLWFCPKTXDE-QGZVFWFLSA-N 411.466 1.189 30 10 HDEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)c(=O)o1 1596925107 KWFPCZYVKASZHV-LTGZKZEYSA-N 421.479 1.376 30 10 HDEE COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1597088424 MIOHWSACBKZXBK-VHDGCEQUSA-N 407.492 1.208 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C(C)(C)C1(C)C 1607498693 XKXSVDPSLXZLMZ-UHFFFAOYSA-N 416.478 1.598 30 10 HDEE C#CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1616404252 YSHOQOWKBHPWDK-QGZVFWFLSA-N 419.547 1.688 30 10 HDEE CN(C)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1617663162 QTGJDPHGJBMQRR-ROUUACIJSA-N 409.494 1.267 30 10 HDEE C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1617981228 ZYLXROLSPGAWDR-NXHRZFHOSA-N 423.535 1.276 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc(Br)c1F 1618171976 VJHNUTMXPDBHPI-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE N#Cc1ccc(Oc2cccc(C(=O)NC3(C(N)=O)CCS(=O)(=O)CC3)c2)cc1 1624695842 KHQMJCPMGBFPQW-UHFFFAOYSA-N 413.455 1.513 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)cc(Br)c2C)CC1 1627014732 BXMRVYGTRCTTFV-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)N1CCC[C@H](CC)C1)c1cc[nH]n1 1628965299 MSIIEIVLASVQGK-HNNXBMFYSA-N 407.515 1.710 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2c2noc(C3CC3)n2)cc1 1629531724 CQFRELJBJATZRM-MRXNPFEDSA-N 415.475 1.851 30 10 HDEE CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1633549872 CHJPGHWGLPACID-IEBWSBKVSA-N 409.490 1.485 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CN1C(=O)OC(C)(C)C 1635070736 VTAULZXIIMPIPB-RUIRWZRLSA-N 406.483 1.807 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635471821 PLEPBIUJZNNYFN-LPHOPBHVSA-N 421.563 1.689 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)nn1 1637134293 KRSUVWPBLPKYGC-UHFFFAOYSA-N 410.283 1.785 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN([C@@H](C(N)=O)c3ccccc3)CC1)C2 1637884796 BKXYSUXQPHKJNM-NHCUHLMSSA-N 403.486 1.579 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1ccc(C#N)cn1 1638376739 RKTXYJJFYCAQTH-SDJAHQOYSA-N 406.364 1.555 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1639638460 WCAZSPUGFNKATR-IRXDYDNUSA-N 411.549 1.519 30 10 HDEE Cc1cc2c(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)n[nH]c2cc1C#N 1640758165 HYFLQNBJWMCTPL-UHFFFAOYSA-N 403.402 1.249 30 10 HDEE COCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1644762450 BNGTVZIAZXJPQF-RDTXWAMCSA-N 402.476 1.514 30 10 HDEE CCO[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CN(C)C 1645024412 BTGJAZKNQRAODF-JWRWLIQVSA-N 408.543 1.856 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1646095178 GZSRISNSDFAJBA-CQSZACIVSA-N 400.464 1.172 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@H](C#N)CCc2ccccc2)cn1 1651776306 YRRDHKULOHEJIE-PKOBYXMFSA-N 400.504 1.881 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2[nH]c(=O)cnc2c1 1659561139 CSEZPXLFZFFYHY-UHFFFAOYSA-N 411.487 1.547 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCc2cccc(C#N)c2)C1=O 1659865726 RAWPIMJQPXDDNF-QHCPKHFHSA-N 419.485 1.921 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 1659906624 INZRHYJHAULQEI-UHFFFAOYSA-N 417.506 1.990 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 1667637694 HRNARNVWXHCCFK-LJQANCHMSA-N 400.523 1.943 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCCOC1 1671495220 NSKBSCOIRXBWPJ-SIFCLUCFSA-N 424.498 1.405 30 10 HDEE Cn1cc(CNC(=O)NCCCN2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 1671561749 KJLCFYZUVOALKS-UHFFFAOYSA-N 416.507 1.184 30 10 HDEE COCCOC1(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCOCC1 1672901815 CQNTXLFCYXDLKV-GOSISDBHSA-N 417.510 1.751 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1676383363 HYICJRBVQJSZNS-HNNXBMFYSA-N 405.455 1.962 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1676777755 YBICVUYTVVCYEM-UHFFFAOYSA-N 409.508 1.423 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1681943986 YCQXADHSOKVEEA-SUMWQHHRSA-N 415.487 1.475 30 10 HDEE N#Cc1ncn(CCNC(=O)N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)n1 1686407065 FFDVRGBLQLIJFZ-LBPRGKRZSA-N 421.383 1.532 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1689851468 REPJNROGVCQOHC-WBVHZDCISA-N 418.567 1.847 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCOC(C)C)CC1 1689937046 MTLUPRPTFNWSAV-UHFFFAOYSA-N 402.543 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCNC(=O)c1cc[nH]n1 1690004945 LSSKZDWGVCUACA-UHFFFAOYSA-N 407.865 1.824 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690167996 SMAXNPRZOAPGFF-MRXNPFEDSA-N 411.491 1.976 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1690299336 NXWFFLBQXUEUHD-UHFFFAOYSA-N 400.483 1.672 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@H]2C)CC1 1690375557 NXEXXSSVQCFETD-IAGOWNOFSA-N 409.556 1.057 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690484956 HZPXPRJLSCIUDG-KURKYZTESA-N 423.583 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690663436 WQEZNLRWLRVHTP-HOTGVXAUSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1690666757 FUOCQPXCBFZWHJ-SFHVURJKSA-N 417.477 1.552 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1690669295 ADYZIURHFVYDLL-WBVHZDCISA-N 424.505 1.534 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(CCC)C(=O)C1 1690670598 FNZVOEXQTVNZAW-MRXNPFEDSA-N 404.515 1.271 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1697685567 OLIJCKNWWAPGQI-HHRDJLPXSA-N 414.510 1.933 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1697782907 XEMSITNBIVYLPJ-IAGOWNOFSA-N 421.498 1.673 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCSC 1698254886 OTTBGRXOZPETPL-SZMVWBNQSA-N 420.583 1.932 30 10 HDEE CCN(CCC#N)C(=O)CNCC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1698922283 NAXUWXBZLWLHNU-SIFVSHMBSA-N 402.539 1.533 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC=C(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1702060694 VLMZSZCGJJVJAH-UHZRXMQZSA-N 404.507 1.294 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705479445 LURQZFXZBUJAAU-SUMWQHHRSA-N 417.432 1.455 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1 1705485224 GLPNRMVRCHQLLZ-QVKFZJNVSA-N 400.479 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)CC 1705497251 WWKXJBIWCRPIGU-OAHLLOKOSA-N 405.524 1.275 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705529186 GWXKQFZQAIUEHT-QGZVFWFLSA-N 420.477 1.724 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705550055 AEBCVORKVYVUFW-RDJZCZTQSA-N 415.523 1.009 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)COC 1705611157 RUJXEDZLMWSHOU-HNNXBMFYSA-N 404.540 1.980 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1705695045 VANDSJHYUJUMCN-FPCVCCKLSA-N 410.544 1.608 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1705706030 OMTJUFPEPDVLPG-XLIONFOSSA-N 413.526 1.447 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)o1 1707358479 CWHLEGMWQCMRJU-KRWDZBQOSA-N 411.459 1.350 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1707951780 FIFAILSMXXFOCD-PBHICJAKSA-N 421.505 1.398 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC(=O)N1C 1708233790 BLIOBBDRVBIOOO-VQIMIIECSA-N 422.489 1.741 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1710913589 QWAWAKVRECDMOZ-SLQAJWMNSA-N 418.523 1.904 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCSCCCO)CCN1C1CC1 1712884349 KKJMGTKRBDIFEG-MSOLQXFVSA-N 420.583 1.812 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN1CCCO 1722352080 DUMDHIXBNOOBQU-MRXNPFEDSA-N 421.505 1.510 30 10 HDEE C#CCN(c1nnc(CC)n1CCN1CCCC[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1722364662 ABKPZFKWQPGWAI-ROUUACIJSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1722372796 ATWJZYNMENGASF-JOCHJYFZSA-N 413.522 1.406 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722459858 SLORZAWCXDXHRZ-HLIPFELVSA-N 406.552 1.923 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(CC)CC 1722475523 VAEOHLPVPJIQBV-YLJYHZDGSA-N 407.584 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722507343 FGBJEBQZENFUGY-AEFFLSMTSA-N 411.572 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722507725 JBDPESZKOOOJHB-JZXOWHBKSA-N 424.567 1.777 30 10 HDEE C=CCCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOCC1 1722627286 JXRDAECISBVHLD-UHFFFAOYSA-N 413.526 1.881 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1722630313 YEVZYRIZPYJRIV-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1722680134 YKLUQRQPMCMVCW-KRWDZBQOSA-N 422.493 1.497 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722705683 HDGKJVRDWNUESN-ZDUSSCGKSA-N 418.885 1.124 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(CCOC)c2)C1 1722721707 JDCNGPVXIVOUHA-QZTJIDSGSA-N 402.499 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1722725888 SVKVMODJEXEOLV-INIZCTEOSA-N 423.583 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722726716 BCXFUWRZEUNCRH-OAHLLOKOSA-N 424.527 1.347 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1723783189 CMVIDOBBBJMJGX-AWEZNQCLSA-N 411.510 1.822 30 10 HDEE Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cs1 1725453770 DAMRCLDLULAQNO-NEPJUHHUSA-N 411.557 1.634 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740586026 MIHMIWVHUQMKJH-KRWDZBQOSA-N 407.522 1.543 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740615630 IDEPYQQGXJUQMT-QGZVFWFLSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1740629869 CFYXNDIJPDPEQD-AWEZNQCLSA-N 419.482 1.157 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1740638295 JMTJAYLMGGDFBS-UHFFFAOYSA-N 424.530 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H](C)CN1CCN(CC)CC1 1740658818 GEORBWZNKDFUEE-NHCUHLMSSA-N 412.582 1.866 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCNC(C)=O 1740658974 PIMRUCLLOYAOOC-UHFFFAOYSA-N 404.474 1.718 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1740660900 IGYPGHBWOPNWHO-UHFFFAOYSA-N 409.416 1.927 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](CC(C)C)N(C)C)CC1 1740698857 NWSYLLKCJCMLPA-IBGZPJMESA-N 415.586 1.132 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1747453266 QRGXIADKMCRQTQ-WWTSWKCXSA-N 412.519 1.300 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747770375 DMXFFVRDTGZDPG-VHEBQXMUSA-N 410.482 1.127 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1748638714 UVZQTVXANCNFJN-KBPBESRZSA-N 400.449 1.758 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1748740512 PSOQRXCYOCCCKS-OAHLLOKOSA-N 418.519 1.999 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1748790467 YUVNBDYGRHNPOD-HNNXBMFYSA-N 420.514 1.134 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748818110 VSWSUZDNHAZGAI-ROUUACIJSA-N 421.611 1.835 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1749223521 VLGRJTIFTYXOAR-OAQYLSRUSA-N 424.509 1.813 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)C[C@@H](C)C#N 1750076939 BYFXGMVWQLTWSL-AWEZNQCLSA-N 410.569 1.854 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC3=CCCOC3)CC2)c1C#N 1751827125 AXMYCJGAESEMDA-UHFFFAOYSA-N 410.526 1.988 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1752540685 NZHOMJHPMFBJMK-FCHUYYIVSA-N 424.505 1.606 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1760157065 CHEFJBPSVBAJLL-HXUWFJFHSA-N 411.554 1.712 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760190769 YSBOSQXAPFNYQA-IAGOWNOFSA-N 416.551 1.384 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@@H](C)C2)CC1 1760261542 NEONTTJBBSYPBN-FGTMMUONSA-N 405.568 1.372 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760552137 DDQTXGQNUGNHGP-AWEZNQCLSA-N 421.498 1.352 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1760594125 ARSAGVWYVRJYLU-MSOLQXFVSA-N 414.535 1.918 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCOC2)cs1 1762285254 IFPFOZUMEKXQEK-OALUTQOASA-N 402.524 1.915 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1767088883 ZMXXTZFCPLOHOQ-UWJYYQICSA-N 410.478 1.543 30 10 HDEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CC1 1767995367 FESLRXZBKTWSEO-OPAMFIHVSA-N 424.505 1.855 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)nc1 1771111990 CHRKSHAURUERKV-KRWDZBQOSA-N 400.483 1.990 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OC)C2)CC1=O 1771125879 FMDDWIRIPLLTHX-PKOBYXMFSA-N 424.505 1.537 30 10 HDEE COc1cccc(C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)n2nnnc2C)c1 1772790473 PAIKDJDFWRMXJT-KRWDZBQOSA-N 407.386 1.528 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)OCCN2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1849428018 HCUWTMQFDSYAHV-PMACEKPBSA-N 417.531 1.827 30 10 HDEE CC(C)[C@@H](C(=O)Nc1ncc(C(F)(F)F)cc1C#N)N1CCS(=O)(=O)CC1 1851558150 YKOXBFAHSUCHRC-ZDUSSCGKSA-N 404.414 1.666 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1851951021 SPOBKKCREJFILY-GOSISDBHSA-N 420.517 1.993 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N[C@@H]2CCCN(CC(=O)OC)C2)c2ccccc21 1852987470 PLKYCIQVHDTPFG-QGZVFWFLSA-N 414.506 1.827 30 10 HDEE COc1cccc(C(=O)CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)c1 1853609920 XBNVFCIENZHTSO-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCOC3)C3(CCCCC3)C2=O)CC1=O 1854104491 XQJLAPLUEJEWTE-ROUUACIJSA-N 403.523 1.431 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@H]1C 1854283022 UPLGIDJTBIDPEL-KGLIPLIRSA-N 402.520 1.404 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1854642530 RHUBZZCLEAVDJO-IRXDYDNUSA-N 409.527 1.895 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)COc3ccccc3F)C(=O)C2)C1 1855007533 RFFLAEGFWKJJPV-DLBZAZTESA-N 402.470 1.642 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)CCn3nnc4ccccc4c3=O)C2=O)CC1 1855123211 KLANALKGUXLRFA-LJQANCHMSA-N 409.490 1.741 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@H]2COc3ccccc3C2)CO1 1855783626 JJMXRDZSRNSIKD-SJORKVTESA-N 414.439 1.657 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN2CCC(C#N)(c3ccccc3)CC2)CC1=O)n1cncn1 1855842084 ZWPOQPAGMCGGIV-MSOLQXFVSA-N 406.490 1.772 30 10 HDEE Cc1nnc(CN2CCC([C@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)n1C 1856032264 JCKBPPAATZNZTP-IBGZPJMESA-N 406.490 1.896 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1856551382 MAWOGAQQLOVUDH-IBGZPJMESA-N 417.531 1.912 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C1(C)C 1856768356 WHURJVCFNIKGAY-HNNXBMFYSA-N 424.567 1.332 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(CCCC(C)=O)CC3)CC2=O)CC1=O 1857053306 LXOYMSPOGOZAFD-OALUTQOASA-N 403.523 1.477 30 10 HDEE CC[C@@H](C)C(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127556 RZNMZINMGFJCPP-SJLPKXTDSA-N 402.539 1.882 30 10 HDEE Cc1cc(C(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)n(C)n1 1857260378 KTERBBIRDFCUNY-INIZCTEOSA-N 406.490 1.864 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@](F)(C(=O)N(C)C)C3)CCC2=O)cc1C#N 1857418708 RNSKSCDCQIRVLJ-KSFYIVLOSA-N 414.481 1.748 30 10 HDEE N#CCc1[nH]nc(NC(=O)CCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C#N 1866024062 OPXLTWLIXNFDES-UHFFFAOYSA-N 407.346 1.271 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622960 KTYMYLVIBUGUFB-HNNXBMFYSA-N 411.510 1.697 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871687865 MWEPKJLTEIOYFT-UHFFFAOYSA-N 400.483 1.449 30 10 HDEE C=CCn1c(C(=O)N2CCC[C@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873561830 AQVDGSHOZPABNZ-KRWDZBQOSA-N 412.538 1.604 30 10 HDEE C=C(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 1991970025 UXCURHHIHJGESP-ZDUSSCGKSA-N 412.292 1.747 30 10 HDEE Cn1ncc(C#N)c1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022987 OLGKCSZPZDTORV-KRWDZBQOSA-N 405.411 1.058 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC(F)(F)C1 2184235719 XJUYJQSXGZEGLO-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@H]21 2243393642 VYCYEGNKCPMQHR-LSDHHAIUSA-N 406.288 1.468 30 10 HDEE Cn1nc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247818345 WMFXHDUAMDZJAO-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921420 OOOMOBKOOULPHN-NEPJUHHUSA-N 423.323 1.146 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCNC(=O)OC(C)(C)C 2247936185 WMXIHGVOCVKCQM-UHFFFAOYSA-N 423.323 1.149 30 10 HDEE Cc1cc(S(=O)(=O)NCc2snnc2C)sc1B1OC(C)(C)C(C)(C)O1 2282316675 GOSHDUVWDWBWOY-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CC(F)(CN)C2)OC1(C)C 2282329321 KZAPMEXBJJUZHA-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE CCCSC[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282336009 XGWFFMNHVJKKQD-LBPRGKRZSA-N 403.379 1.529 30 10 HDEE CSCC1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282348566 MUMUSOFBDSCYSN-UHFFFAOYSA-N 401.363 1.139 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282415147 CPRSCRKJXSYBNZ-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(O)CC3)c(Cl)c2)OC1(C)C 2282500849 OMNQQEVJWXQIFZ-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC(C)C[C@H](N)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501314 VTULBKNGXQUMOR-AWEZNQCLSA-N 402.391 1.840 30 10 HDEE CS[C@H](CO)[C@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282543571 LHPJRUPWUZMBOA-VHSXEESVSA-N 403.741 1.215 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(C)CCN(C)C1 2282830613 XBMHPCBCFKACQW-KRWDZBQOSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@]23CCOC3)OC1(C)C 2282835633 XMNWFNXQNQCIQQ-MLGOLLRUSA-N 400.331 1.041 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1COCCO1 2282851946 JMOIFCRAKZLTEL-YPMHNXCESA-N 403.331 1.130 30 10 HDEE C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395322 KDEXWCYHABBCOO-ZYHUDNBSSA-N 401.315 1.531 30 10 HDEE CC(C)(F)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406821 CXENBRQAUVDUHI-NSHDSACASA-N 407.294 1.527 30 10 HDEE CC(F)(F)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284413196 IERULPFIWLZTIF-JTQLQIEISA-N 411.257 1.434 30 10 HDEE COC[C@]1(C)C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284686365 YHBFOMOOAVVQLK-PXAZEXFGSA-N 401.359 1.998 30 10 HDEE CNCC(C)(C)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288924944 VHAGSGZWRFDXHV-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccnc2)C1=C(O)c1ccncc1 2296623254 WKZWWRODKCKGHT-IBGZPJMESA-N 408.458 1.621 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2300227909 WXLLFMFTWGAAGR-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C=CC[C@H](N)[C@@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314263731 ALBADMNSNAPPNL-ROUUACIJSA-N 405.520 1.760 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338647117 MBFGHBFZEDUBMM-ZIAGYGMSSA-N 401.554 1.712 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N[C@H](C(=O)O)C(C)(C)S 2338864439 CACJXFNHNNOXSG-ZCFIWIBFSA-N 415.107 1.837 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)c1cc(I)sn1 2341980341 UTQMSLRHPHRLOA-VIFPVBQESA-N 410.302 1.979 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCC(O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365170820 ZGMGOHMYYPWOFU-UHFFFAOYSA-N 401.525 1.923 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2365208546 DBAHTHONQOSASG-HRLGVUPISA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2367608404 YHYLNZZCKPBTHU-CAOSSQGBSA-N 402.557 1.585 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1 9333680 NLOFWSDFWAEVKQ-MRXNPFEDSA-N 421.519 1.938 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 27903205 LWOFXENRDLCCFD-CYBMUJFWSA-N 410.421 1.255 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)ccc1F 46425484 BOCRZNTWVAWMAI-HNNXBMFYSA-N 419.482 1.479 30 10 HDEE N/C(CN1CCC(NC(=O)c2cccc(I)c2)CC1)=N\O 110825214 PPUGOBFOGCCBCP-UHFFFAOYSA-N 402.236 1.232 30 10 HDEE C=CCOC(=O)NCCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O 169918008 JBSMARIENQAYNR-UHFFFAOYSA-N 410.224 1.074 30 10 HDEE C=CCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 223258081 RUZLEKUIXNODKZ-BRIYLRKRSA-N 416.423 1.052 30 10 HDEE COc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254867862 MOCAGCLXZQXHKP-UONOGXRCSA-N 412.489 1.157 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)cc1C#N 427218863 VZIXLAMVKYANJG-QGZVFWFLSA-N 400.460 1.659 30 10 HDEE C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCS1 467967080 DWRUOVRGNXNLNY-GOSISDBHSA-N 408.549 1.860 30 10 HDEE COCCN(Cc1scnc1C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 470506698 ZHQWWTVXIMZXEP-AWEZNQCLSA-N 422.532 1.665 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 477635527 CRIGUNKNZHGEGS-GFCCVEGCSA-N 407.452 1.160 30 10 HDEE C=CCCO[C@@H](C)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 505840016 OBEXYXZGEUJPPE-ZWKOTPCHSA-N 403.527 1.349 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCCC(=O)Nc1ccccc1C#N 506669982 OJGXPFAFQPLWIX-RDJZCZTQSA-N 406.508 1.501 30 10 HDEE C=CCCOCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 508253919 UONPDRZQGYWVEA-GOSISDBHSA-N 418.542 1.144 30 10 HDEE CS(=O)(=O)N1CC[C@H](CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 514091672 WFRLBNOXRLJBOV-CQSZACIVSA-N 405.480 1.210 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cs1 514492379 UJLCZYUAWVQOCL-CQSZACIVSA-N 417.556 1.972 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCNCc2ccc(Cn3ccccc3=O)cc2)nc1 520282428 CYQHSVCRTURBJH-UHFFFAOYSA-N 408.483 1.727 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](n4cc(C(=O)OC)nn4)C3)cc2C1=O 546565945 UHSXJJVJSLVWHZ-AWEZNQCLSA-N 423.429 1.324 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2cnn(C)c2)c1 552749774 SEUHRVWKYAAWSG-UHFFFAOYSA-N 410.521 1.608 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 553980795 VTUHQBOSPPJSNK-MOPGFXCFSA-N 404.470 1.683 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)c1 561041794 FVNIGPBBXCHRHQ-INIZCTEOSA-N 414.549 1.580 30 10 HDEE COc1cc(CNC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)ccc1C#N 579901654 BPADHOPEIVMGFA-UHFFFAOYSA-N 418.475 1.817 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 580264670 JGUCVGKZCPCIRG-ZRGWGRIASA-N 407.492 1.022 30 10 HDEE Cc1cccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c1C#N 615307017 HHEASZBNOYNXKK-LJQANCHMSA-N 416.441 1.461 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(-c3ccc(OC)cc3OC)no2)CC1 671307479 NRBPKQODIYIYPA-UHFFFAOYSA-N 401.467 1.174 30 10 HDEE C#CCN(C(=O)c1cc(C)ccc1I)[C@H]1CCS(=O)(=O)C1 729332975 GBPHCZBMRFTUTL-LBPRGKRZSA-N 417.268 1.862 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCN1C1CC1 732650667 BEMFPGIWDASABG-INIZCTEOSA-N 422.938 1.937 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)CCN1C1CC1 732701939 PGPXDEGMCVDHLQ-WOJBJXKFSA-N 411.506 1.477 30 10 HDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 733202970 ZKQKRPTYOZGLPN-SWLSCSKDSA-N 422.532 1.449 30 10 HDEE Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)nn1 743908362 DCQOHGJOGMMGQH-QGZVFWFLSA-N 406.446 1.715 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)CC1 745693009 AYKOAKAQMYTKBD-CXSMLKTPSA-N 409.527 1.761 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(C)nc2C(F)(F)F)c1 748154751 SWKTYAZZKDJHHN-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758051225 YESCGXQATQCJMH-UHFFFAOYSA-N 417.494 1.242 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 761039134 XSVOBHFEDFGDFS-UHFFFAOYSA-N 405.462 1.036 30 10 HDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Cc1ccccc1 762002124 FUVLALVCMYMGAY-HNNXBMFYSA-N 413.499 1.822 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 762507140 BBBCDWPVCPCBRF-KRWDZBQOSA-N 402.520 1.718 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@@H](c2ccc(F)cc2)C1)c1cc[nH]n1 772302779 RFSCIEIJCKTUAJ-SUMWQHHRSA-N 418.425 1.821 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1C#N 780821137 HXRSCUJKWVDIGZ-UHFFFAOYSA-N 409.489 1.296 30 10 HDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780892365 FXYLGABEYBULKE-YWZLYKJASA-N 410.449 1.902 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)cn2)C1=O 781058588 QHHLYKFUCGEKPP-OAQYLSRUSA-N 407.430 1.354 30 10 HDEE CCn1c(=O)c(C(=O)COC(=O)CC(C)(C)C#N)c(N)n(Cc2ccccc2)c1=O 785077491 CQEHMQNQIFKROY-UHFFFAOYSA-N 412.446 1.326 30 10 HDEE COC(=O)[C@@H](OC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 796177758 QYAAMFVVJXDOMP-IBGZPJMESA-N 416.455 1.809 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 798107650 AJXVTXDWUFYOPA-MSPKJWORSA-N 406.389 1.970 30 10 HDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 798744064 HIAKFANKMJXFHV-KGLIPLIRSA-N 400.414 1.130 30 10 HDEE C[C@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)n1cnc(C#N)n1 798744767 BQXXASLKHSLPOD-CYBMUJFWSA-N 408.418 1.552 30 10 HDEE C[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CN(C)CCO1 807249804 HUFJUTPIJWIPQX-RDTXWAMCSA-N 412.515 1.738 30 10 HDEE C#CCONC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 812781684 DGQMLXCWCSFNFY-CYBMUJFWSA-N 421.338 1.530 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 813654927 XCYMYUDQWOOFCO-SNVBAGLBSA-N 415.386 1.535 30 10 HDEE CCCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 1084376558 IOTPGEZYGIVZCL-UHFFFAOYSA-N 421.531 1.521 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1130216232 VYBKBNBLJSLFKJ-BFUOFWGJSA-N 408.476 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2sccc2C#N)C1 1133630314 JGQFCNKXSQIGCG-ZDUSSCGKSA-N 413.521 1.774 30 10 HDEE C#CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@H]1CCCc2ccccc21 1134311662 XDKCVYPHPHFRIH-IBGZPJMESA-N 402.454 1.785 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cs1)C(N)=O 1136041163 QYHONFCHPNKPSI-GFCCVEGCSA-N 416.532 1.267 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)cc1 1136097088 CTFDXRQSMLVFJW-MOPGFXCFSA-N 409.446 1.926 30 10 HDEE COc1cccc(-c2noc(SCC(=O)N3CCN(C(=O)CC#N)CC3)n2)c1 1137371503 PRIJNLHLJQPTSH-UHFFFAOYSA-N 401.448 1.422 30 10 HDEE Cc1nc2n(n1)C[C@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1143591598 JXWRAMJDLIJWMM-KXSVDRQTSA-N 414.510 1.804 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1146802561 CTTWZZHUVBPEII-UHFFFAOYSA-N 424.595 1.903 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c(F)c1 1148333440 CBDDAHUYEUZRIE-UHFFFAOYSA-N 416.478 1.434 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1151151439 MMSDJPFEDAGHAX-LJQANCHMSA-N 406.487 1.281 30 10 HDEE COC(=O)CN(CCc1ccccc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1154020583 ISOWIZQGAOEUFF-UHFFFAOYSA-N 418.446 1.981 30 10 HDEE N#Cc1c(N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)ccc([N+](=O)[O-])c1N 1162482503 IMGWVQIBPJTRSX-LJQANCHMSA-N 406.446 1.976 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ncc(Br)cc2Cl)c1=O 1165303854 STJNRODVBQDKHR-UHFFFAOYSA-N 413.659 1.403 30 10 HDEE N#Cc1cn(CCNC(=O)c2cnnn2-c2cc(Cl)ccc2Cl)c(=O)nc1O 1167526770 DGZCLTNHUGVWCX-UHFFFAOYSA-N 420.216 1.138 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 1167988567 MUJCPYYPXNXUOA-CQSZACIVSA-N 421.519 1.853 30 10 HDEE C#CCC1(O)CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 1175669144 LQQPSIJXRALAQB-QZTJIDSGSA-N 417.525 1.906 30 10 HDEE Cn1c(=O)[nH]c(NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1=O 1187551137 VLGZKIGYFCBGIK-UHFFFAOYSA-N 420.514 1.080 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OC 1193581642 MXTJKYWOWRKFOV-LLVKDONJSA-N 411.402 1.103 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 1194494306 ICSKVIKPWHKOMK-CYBMUJFWSA-N 405.446 1.949 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)c1 1220023780 LDDCRZJWJSMCRX-UHFFFAOYSA-N 400.460 1.692 30 10 HDEE C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1277455584 HWLWTKQTEBTKRN-BBRMVZONSA-N 414.462 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286271857 WFWYAXMKJKJSIO-BZSNNMDCSA-N 402.543 1.471 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1286277695 GLCNCUCTQSXERB-HUUCEWRRSA-N 424.571 1.185 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1286294213 CDJDUOXZIKKTFN-LSDHHAIUSA-N 413.519 1.351 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1286301674 HFJLEVPEUMEKJY-SCLBCKFNSA-N 405.549 1.596 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnccc1OC 1286400751 KPWUYIMVLSGKIK-JOCHJYFZSA-N 409.490 1.843 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCCC)nc2)CC1 1286476654 CAWLDUFUDZQPHW-UHFFFAOYSA-N 420.521 1.666 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286503180 AZWNKJMBMPAIQE-UHFFFAOYSA-N 413.551 1.494 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1286514731 NUPMIOBHQODALJ-LAUBAEHRSA-N 400.527 1.667 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286606243 KJVOWOUOJXEOKH-INIZCTEOSA-N 416.526 1.271 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1286817948 RAVSWLDAXGTVNV-AWEZNQCLSA-N 418.585 1.406 30 10 HDEE C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288614013 YKBSNEDGKOISBT-GDBMZVCRSA-N 417.901 1.443 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCCNS(C)(=O)=O)C1 1288977658 QTNXQBFGPCVXHX-QAPCUYQASA-N 410.544 1.241 30 10 HDEE N#Cc1csc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 1289334216 YIOZDSCDDNFRRD-WHWKNOJMSA-N 409.471 1.434 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(C3CC3)[C@@H]3CC(=O)NC3=O)C2)C1 1292415623 DNWMAGHUFSNGRK-BDJKOGQHSA-N 416.478 1.179 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1297323829 VVCUPLAHOHCGFV-HNNXBMFYSA-N 404.858 1.532 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300491312 GWKLOLLQHUXRMZ-AEFFLSMTSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC1(O)CC1 1300535945 QYSDRBWNIQXGRL-UHFFFAOYSA-N 413.522 1.990 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCCN2CCC[C@@H]2CO)CC1 1300682674 INFUZNQBEUQLCC-WOJBJXKFSA-N 402.587 1.784 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1300894616 FTSDYCTWSDDELO-FJIDUMEYSA-N 424.567 1.552 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(NCCc3ccccn3)cc2)c(=O)nc1O 1301212714 DNQBNMOZDQQQQR-UHFFFAOYSA-N 404.430 1.300 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCC1CC1 1301586996 WQVFKFPEONWWMY-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1302525718 SPIFQTKVKAAXCD-QYZOEREBSA-N 418.542 1.258 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1303701627 ZITSFHNWLUHVQL-UWVAXJGDSA-N 410.522 1.745 30 10 HDEE C=CC[S@](=O)(=NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccccc1 1304738459 WAPTWKIIXVGVGY-AREMUKBSSA-N 406.485 1.799 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1305157779 MJQDRPSGDGNRPI-DMIMOZFVSA-N 407.478 1.959 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1306893265 SIQOOZPYXQRYCR-UHFFFAOYSA-N 402.428 1.608 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccccc2)c2nccs2)c(=O)n1C1CC1 1307383603 GNJPWICGNBADDR-SFHVURJKSA-N 421.482 1.887 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3[C@H](O)c3ccccc3)CC2)o1 1307987255 GZUPMKNFMFDTAD-TZIWHRDSSA-N 409.490 1.701 30 10 HDEE COC(=O)c1cccc2c1OCCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C2 1308125594 IBLPZQMWBGUNKF-IBGZPJMESA-N 414.506 1.360 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1314700307 AKJDPXDXSPJGHD-HNNXBMFYSA-N 401.492 1.762 30 10 HDEE CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1318544703 DQYUYIRVWCNEOT-UPTRSRDDSA-N 405.499 1.097 30 10 HDEE N#Cc1ccc(C(F)(F)F)nc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1328471354 HDJZAXFPWLAGSD-UHFFFAOYSA-N 409.412 1.912 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@@H]1C 1358871408 FCGZITNFKVXRLC-QAETUUGQSA-N 411.572 1.942 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1358927731 IAPRTIHDYGRFGI-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358962702 VBOKDLWJCUZMGB-KRWDZBQOSA-N 414.535 1.679 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)COCC2)[C@@H]1CCS(=O)(=O)C1 1358963097 BPNJKTAWXJFLBI-LJQANCHMSA-N 414.531 1.588 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963829 OQJKZSTUNVHTAY-ZWKOTPCHSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1358979558 QJAUYIJDUFUBTQ-IRXDYDNUSA-N 417.510 1.694 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2CC2(O)CC2)n1 1359027893 ZJYSTNLSZVPAJA-UHFFFAOYSA-N 406.490 1.953 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359034311 LJPFAQCJUVVCTB-UHFFFAOYSA-N 417.517 1.767 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1359064385 RISGMOILKKKAHL-FXAWDEMLSA-N 422.599 1.612 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359291654 ZEDXOIONLMOOPI-HOCLYGCPSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](OCCOC)C1 1359299903 PKUWTMZIQDPLBM-SJORKVTESA-N 407.515 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnn(C)c1 1359331002 KBGSBTYNUZSLHC-UHFFFAOYSA-N 415.523 1.619 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1438911951 OZPZMUGLYHFQSV-GJZGRUSLSA-N 411.499 1.468 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1450522063 DRPWWDPBCFSIAQ-NSHDSACASA-N 417.325 1.640 30 10 HDEE C#CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C1CSC1 1453166785 XHIYFXBBZBXGIE-UHFFFAOYSA-N 408.545 1.461 30 10 HDEE COC(=O)[C@H]1CN(C(=O)Cc2ccc(C#N)nc2)CC12CN(C(=O)OC(C)(C)C)C2 1456294207 SBYUWZKFLLXISW-MRXNPFEDSA-N 414.462 1.364 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1456686323 MVZOQWXIFIOMCZ-JKSUJKDBSA-N 418.498 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1457199674 VDQZNZHZKBWDRC-CQSZACIVSA-N 419.482 1.364 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2nccn2C)C(F)(F)F)s1 1457384869 JCBHPSWCPBXEMY-ZDUSSCGKSA-N 422.454 1.908 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C 1459212511 SZULNGKMBKTREE-VBKZILBWSA-N 404.467 1.143 30 10 HDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 1461957688 WPTHSHOZINXMJS-UHFFFAOYSA-N 414.487 1.879 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)ccc1F 1463116887 BXXPWUKCQHELQN-JKSUJKDBSA-N 412.483 1.700 30 10 HDEE CN(CCC(=O)N(CCC#N)CCN1CCOCC1)C(=O)OCc1ccccc1 1464553916 FPKZFLGIXLCOPY-UHFFFAOYSA-N 402.495 1.720 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1465754085 RLMMFBXERAEAFE-AQZMIJIOSA-N 419.526 1.693 30 10 HDEE CCOC(=O)[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1466166218 HLIKIEYRZJINCL-SJORKVTESA-N 417.462 1.433 30 10 HDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nncn1C 1467229599 PDDDFPKWAAWMAX-UTFQJDELSA-N 402.499 1.822 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1468500318 KGPZXOSIOVOABC-HNNXBMFYSA-N 416.544 1.504 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895835 GUHLZPPTYKJJJQ-SWLSCSKDSA-N 414.325 1.704 30 10 HDEE CC1(C)[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1(F)F 1479028791 PBGNRRUMMKPZOD-OAHLLOKOSA-N 412.462 1.865 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1cnn(C)c1 1503069152 UBLWZKUBBVXTNO-UHFFFAOYSA-N 422.493 1.716 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1507571670 JQFWVSTXQAPPTJ-LJQANCHMSA-N 414.554 1.476 30 10 HDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507593577 CEPVSNRDCJCSMW-IBGZPJMESA-N 411.506 1.437 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507620003 JEARWOFSFGCZEU-MRXNPFEDSA-N 417.535 1.228 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1507622521 HZWFOGRRXYSAMY-XHSDSOJGSA-N 405.499 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507659010 KCSXNXPPAMBFGJ-GCJKJVERSA-N 411.506 1.315 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(N)=O)c2)CC1 1507731361 GRJFEBFVJZOMJW-IBGZPJMESA-N 408.506 1.422 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1nncn1C 1508000468 XFEGOLSGLKBIRW-UHFFFAOYSA-N 412.461 1.976 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@H](F)C2)C1 1508116566 RXLBKBSZABUANU-CAOSSQGBSA-N 415.535 1.808 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)C1 1508127304 URITWLQBEAYMOE-SJORKVTESA-N 420.539 1.167 30 10 HDEE CC(=O)Nc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1508284124 DDVZVWFOWRENNH-PKOBYXMFSA-N 410.478 1.712 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1 1508425980 CZWNYTDPNFNZFO-HNAYVOBHSA-N 405.572 1.434 30 10 HDEE CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)CC2(C#N)CCOCC2)CC1 1516291165 BJVRCJLLZSOMHU-FQEVSTJZSA-N 410.518 1.819 30 10 HDEE N#C[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCOC1 1521843029 JIZAKQVWAJOBGL-FXAWDEMLSA-N 403.504 1.690 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(C#N)C2)cc1 1529650877 JCMOBLVHOHAGOE-IBGZPJMESA-N 409.508 1.346 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1539003356 CHSYJMKXRGNJOV-GFCCVEGCSA-N 403.450 1.721 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539142409 PYCSHLPDODOXMM-BZSNNMDCSA-N 424.567 1.819 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539215523 DSKYCELSMARNAN-ZIAGYGMSSA-N 406.537 1.113 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1539395694 HFMAYSUJXMFNDN-NRFANRHFSA-N 421.611 1.870 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(F)c1 1539420067 ADTGOIIXURLMJT-UHFFFAOYSA-N 415.469 1.683 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=C)Cl)CC1 1539436231 NUUCOSXYQLBENN-UHFFFAOYSA-N 409.885 1.429 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2snnc2C)CC1 1539454417 NJLUBTGIBCTVLM-UHFFFAOYSA-N 414.564 1.597 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(=O)Nc2ccc(F)cc2)CC1 1539462553 WZAFZLUNMFQVST-UHFFFAOYSA-N 400.458 1.348 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)CC 1539542426 ZCFJNOJTEBTLSU-NHCUHLMSSA-N 403.527 1.789 30 10 HDEE Cc1cc(I)ccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1540322956 FJEKSULWQGZENA-UHFFFAOYSA-N 424.198 1.762 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1541991165 UZCRGBDTLKFXKF-QEEYODRMSA-N 415.498 1.290 30 10 HDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1542816370 XUPFYKDNKGUWGO-QFIPXVFZSA-N 408.506 1.952 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3cccc(OC)c3)cn2)CC1 1542894554 BSIYQMYHQFQEMO-UHFFFAOYSA-N 422.485 1.780 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 1544162335 KGPGCVYVNSZGJY-CQSZACIVSA-N 404.434 1.563 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H]1O 1555942774 QBBCPCVHNRNDQJ-LZQZEXGQSA-N 413.478 1.351 30 10 HDEE CC(C)(C)OC(=O)CCCCCNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1556171269 PCPFOWBPELWDSS-UHFFFAOYSA-N 409.508 1.855 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1556375359 HRVKPHPYPCSJKV-NVXWUHKLSA-N 420.462 1.919 30 10 HDEE N#CCc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1 1557190853 DZNDLARLGKXOQJ-UHFFFAOYSA-N 413.499 1.828 30 10 HDEE COc1cccc([C@]2(C)CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1557505222 QGFVAOPQCHWQNJ-OAQYLSRUSA-N 413.499 1.924 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC(=O)N(C)OCC(F)(F)F)CC2)o1 1557570156 JJYFQCRKGKWTTB-UHFFFAOYSA-N 403.361 1.140 30 10 HDEE COC(=O)/C=C\[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1558833430 FMNMMXWEVJTYNK-YDKYRJPGSA-N 407.492 1.374 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1560004420 GBAUGICJXLFZNV-CJNGLKHVSA-N 407.854 1.967 30 10 HDEE COC[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(Br)c1 1561854868 HJEJKWOXBOPBSN-ZIAGYGMSSA-N 404.286 1.195 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)n1 1568521900 NIFQAKJAAMYUSQ-INIZCTEOSA-N 419.482 1.161 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(=O)NCCN1CCCCC1 1569057470 SLBDNAIXRGSRDS-MRXNPFEDSA-N 409.531 1.292 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)cc1 1583105297 IVRSTKJDLOZKEW-UHFFFAOYSA-N 405.454 1.654 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(I)cn1 1583777539 MTFWNOSBVZDLLH-UHFFFAOYSA-N 414.247 1.374 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1587568150 NQQFGKUYHNRCTB-MGPUTAFESA-N 401.467 1.298 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1587852195 SCKNESCMOVIXED-GOSISDBHSA-N 412.538 1.872 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1588084927 XXAYOQIKILTCHV-QZTJIDSGSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1 1588133430 GGVNESHZHDFHMD-OAQYLSRUSA-N 412.582 1.866 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1 1588180506 HARZEMGJYLVYQA-MRXNPFEDSA-N 415.519 1.408 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588811331 GOMGHSKZLVCFES-SJORKVTESA-N 400.527 1.190 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589047537 ABXCJOYMDMZHOE-HNNXBMFYSA-N 408.553 1.058 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589427229 FGBMXPSQPSZRMG-CQSZACIVSA-N 421.299 1.124 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 1596283630 HPZYZQDXNVMUSX-IZZDOVSWSA-N 420.462 1.649 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCOCC1 1598177604 XEBRJZNNQSLYPB-UHFFFAOYSA-N 422.503 1.018 30 10 HDEE COC(=O)C1(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC(CO)C1 1607426058 SFFREHOSDWWBRN-UHFFFAOYSA-N 403.284 1.338 30 10 HDEE C#CCN(C(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)C1CCN(C)CC1 1611145748 TWEDCPXPPCPGGQ-UHFFFAOYSA-N 404.515 1.363 30 10 HDEE COC(=O)[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@@H]2CCCN21 1614671363 SXRFPUQFPXRZQZ-RBUKOAKNSA-N 400.328 1.807 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1614978255 FPXDSDHHZVGROW-QGZVFWFLSA-N 407.478 1.154 30 10 HDEE N#Cc1cccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)NCc4ccccc4)[C@H]32)c1 1616175291 SSKQLJOSPMSUGJ-PXTPFGJHSA-N 422.510 1.048 30 10 HDEE COCCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1619811063 KCYZKCFPAJQWTP-CQSZACIVSA-N 402.455 1.551 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N(CCC#N)CCOC)cc1F 1623172921 DFBPYXJJXOUREN-CYBMUJFWSA-N 408.430 1.901 30 10 HDEE Cc1cc(C=O)c(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1624067603 XPIMMOQPXMKCQP-UHFFFAOYSA-N 413.455 1.532 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2c(Br)nc3n2CCOC3)c1 1625081652 YHAATYZQUZGQBL-UHFFFAOYSA-N 417.263 1.868 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1625165745 VFFJZKQEJVQQQB-CYBMUJFWSA-N 423.288 1.974 30 10 HDEE N#CCCn1cc(C(=O)N[C@H](CO)CN2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1625505766 QTBWGCQOOZOFMS-INIZCTEOSA-N 412.450 1.558 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)c1OC 1627355471 AMMWEILVNUNAIM-HNNXBMFYSA-N 424.388 1.886 30 10 HDEE CC(C)[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)N1CCCS1(=O)=O 1627790761 SMNWOJNKLNSNOE-RTBURBONSA-N 404.536 1.655 30 10 HDEE CN(CCNC(=O)C1CCN(C(=O)Cc2ccc(C#N)nc2)CC1)Cc1ccccc1 1630177107 AMJBAQUTGQJZOO-UHFFFAOYSA-N 419.529 1.983 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CCOCC1 1633762757 GONOLNKQRPYVMQ-PCCBWWKXSA-N 410.518 1.313 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)ccc1F 1634906332 QUGYRDDTFIQLPS-DZGCQCFKSA-N 410.427 1.241 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1635753438 WWGOCUDPJZFZOY-UHFFFAOYSA-N 418.563 1.925 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1636289283 QIKRWDPRTVHVRS-SJORKVTESA-N 417.462 1.915 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@H]2c2ccc(Cl)cc2F)CC1 1636480043 JSXFJRGLUJTVHJ-HOCLYGCPSA-N 413.902 1.585 30 10 HDEE O=C(NCC#CCO)NC1CCN(C(=O)Nc2ccc(Br)cc2)CC1 1637898873 PBXNCXHNZKKMCS-UHFFFAOYSA-N 409.284 1.740 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C1 1639265500 QAJHJAMLEWQUQR-HXUWFJFHSA-N 417.469 1.961 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1640285709 ZVCBCHDVEQBJJM-QAPCUYQASA-N 413.430 1.909 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1642430194 HUUXDPWPCWZJPS-AWEZNQCLSA-N 404.410 1.625 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ncc([N+](=O)[O-])cc1C#N 1642863012 RIVUIYRIFAKOTG-UHFFFAOYSA-N 408.418 1.526 30 10 HDEE COCCn1cc(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c(O)nc1=O 1643402041 YETRSTQOPJOYTC-UHFFFAOYSA-N 424.413 1.569 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1649540836 NFLVQBUELRNXPZ-DYESRHJHSA-N 402.543 1.849 30 10 HDEE CN(C(=O)CSc1nc2cc(S(N)(=O)=O)ccc2n1C)C1(C#N)CCCCC1 1651632659 WIBDVZRMTBHNDF-UHFFFAOYSA-N 421.548 1.998 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cnc3sc(C(=O)OCC)c(C)c3c2)CC1 1663202124 JQZJEUGLUSXUHH-UHFFFAOYSA-N 408.501 1.930 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC)C1CCOCC1 1665155681 DJVJTROAIRCOND-WLMCBFPDSA-N 423.487 1.597 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1681498843 DQFQWMJMOULRIE-SFHVURJKSA-N 409.494 1.856 30 10 HDEE N#Cc1ccc(CCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1683371143 BYLKCGMRYGSNDG-UHFFFAOYSA-N 406.490 1.534 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1)C1CCOCC1 1684032601 YIMVMALHJZGBOM-GOSISDBHSA-N 400.479 1.518 30 10 HDEE CSc1ccc(CNC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1C#N 1685270166 NIXKPHVTPMKIEN-UHFFFAOYSA-N 409.533 1.769 30 10 HDEE C[C@@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)N1CCN(C)CC1 1685805262 BWFWKVGOQCYXFK-KRWDZBQOSA-N 412.538 1.554 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)nn1 1686847996 UNGXLJSYEITDTB-OAHLLOKOSA-N 419.283 1.609 30 10 HDEE C#CC[C@@H](COC)NC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1 1687206151 MLTAFMMTSMIOGJ-ZDUSSCGKSA-N 402.451 1.922 30 10 HDEE C#CCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941299 LVUGOOGNKVCVIJ-QFBILLFUSA-N 410.540 1.355 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689990244 NDXDYKLTJZINQG-SJORKVTESA-N 415.519 1.160 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1690087109 KOGLQBCHBNILBY-MRUHUIDDSA-N 419.526 1.660 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2(O)CCC2)CC1 1690146836 YUFIFHGLGKPPKM-KRWDZBQOSA-N 401.511 1.053 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690375516 MXYGFWJTZBHMCA-ZACQAIPSSA-N 410.540 1.388 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1690599360 VXHVMKUEEILBCY-UHFFFAOYSA-N 409.538 1.606 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCSC1 1690668919 NPSAJLKTOOQKSZ-GFCCVEGCSA-N 404.496 1.250 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(NS(C)(=O)=O)CC1 1690682191 HLFMYULNWJOYES-UHFFFAOYSA-N 405.524 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1690725535 TZBSTCZTCLPOKX-HOTGVXAUSA-N 405.524 1.478 30 10 HDEE CCn1cnnc1Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1695800829 IXFAAKWKQJBTIA-HXUWFJFHSA-N 414.514 1.718 30 10 HDEE CCOCc1nnc(N2CCS[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696354990 HCHXFTQABTVSQJ-VLUKHXRESA-N 406.512 1.283 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1698303164 FWOUUOAFCIVKHN-QGZVFWFLSA-N 418.523 1.208 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1705489813 WULZMYLGGFMODC-CQSZACIVSA-N 400.508 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCCC1 1705620918 KZIAUWHSBQBTSD-UHFFFAOYSA-N 402.543 1.475 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705667484 MLYMGJUXLQKCLM-SJORKVTESA-N 402.524 1.807 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705700330 RYXQDSKKOPQRAG-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705729158 NEJANKXMSGWPAN-INIZCTEOSA-N 420.514 1.384 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1705808820 WHWWQIRGTICHFS-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1710897491 CVTZPIGTDVNFGQ-IAGOWNOFSA-N 414.535 1.991 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(C)=O 1711682592 ZPYQCLSMLBBHPA-HNNXBMFYSA-N 418.885 1.862 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1712636963 FPPDVPRNSCRPQR-XGHQBKJUSA-N 416.526 1.610 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1722343603 MXPJOTRSDQDXIG-UHFFFAOYSA-N 405.462 1.263 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1722358611 JNLDWLYCGZTVJG-KGLIPLIRSA-N 402.467 1.452 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722361160 MAJUYUNCZKALJU-MRXNPFEDSA-N 423.502 1.114 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1722373276 LHDDVJKQFYENPD-KRWDZBQOSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(N2CCCCC2)c1 1722381287 MYTXDMPLESEBLA-IBGZPJMESA-N 417.517 1.736 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1722397039 OISDPEDASTYUPC-UHFFFAOYSA-N 419.464 1.682 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CC1 1722434454 PUGWROKYSNAOLI-QGZVFWFLSA-N 416.913 1.554 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722693067 CMQHFGMQJPRETL-CQSZACIVSA-N 416.913 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCC(CO)CC1 1722698318 YLXOZUPHAMPDEU-UHFFFAOYSA-N 421.505 1.642 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1722701238 KGLLPJVGEFLVOS-OAHLLOKOSA-N 415.498 1.617 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1723771552 VCVAHJYGODVZPA-SJKOYZFVSA-N 423.315 1.936 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1726819319 SVTAKWIMTHMUPP-QFIPXVFZSA-N 424.505 1.701 30 10 HDEE CCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1728967544 DKLYCEGLFFNKKC-GOSISDBHSA-N 412.494 1.730 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1730302778 ZOLTVZWHJBQKFE-LAUBAEHRSA-N 413.478 1.412 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1730479680 GQUXRIIGUNXBRL-BBRMVZONSA-N 409.487 1.671 30 10 HDEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730928795 PYYQAOUXDJLCNV-IBGZPJMESA-N 411.510 1.103 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1731188795 IWPTUPFGYQHOAN-QWHCGFSZSA-N 423.399 1.562 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC1 1740541724 GNDHUQFYCKWQCU-KRWDZBQOSA-N 405.510 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740544271 FJPVWYNXIKOZGN-OAHLLOKOSA-N 424.509 1.391 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1740550162 HULODJGAPNVODX-SJLPKXTDSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1740631362 QPBQYANQMCDSGO-UHFFFAOYSA-N 400.504 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1740653787 YNYNSWXAZRIZEV-QGZVFWFLSA-N 424.505 1.189 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccnc2N2CCOCC2)CC1 1740689326 AUWIDOJUPSCWEU-IBGZPJMESA-N 423.565 1.827 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740738820 MFLRZUXQBAHIQD-JSGCOSHPSA-N 400.321 1.863 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1740792253 WFIXYWAEIOHNJN-UZLBHIALSA-N 400.483 1.712 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740837947 BDLFPMRZZKYBON-MOPGFXCFSA-N 416.570 1.988 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1741000484 BAWIXHGEDGGIHR-CVEARBPZSA-N 417.539 1.460 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(O)cc1 1741930476 GHFZXDLIAPBTFX-KUHUBIRLSA-N 418.523 1.772 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1748702343 CXMFZQPURSANIC-UHFFFAOYSA-N 400.508 1.606 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1748731445 DBGYBBWHVUAEPU-GFCCVEGCSA-N 423.461 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCNC(=O)c1cc[nH]n1 1748838086 VBIASLNNOWHZSL-UHFFFAOYSA-N 407.865 1.824 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cncn1 1748891381 UMXWJDQHLGREIT-UHFFFAOYSA-N 403.446 1.471 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1748906853 JIWDJWRAOQKYRY-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](F)COC 1748965313 RLTDXPCIMZNYJO-QAPCUYQASA-N 404.442 1.861 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749032508 JTYCTLXVEJKHPJ-INIZCTEOSA-N 415.567 1.738 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749236043 ZQCNDVRUCBBMAO-IRXDYDNUSA-N 416.526 1.241 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1749439778 JJBOCPSSEJFSFF-PMACEKPBSA-N 405.499 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1749663499 HZSJHMBSEFHLOI-UHFFFAOYSA-N 419.489 1.737 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749925560 PYMCTQVIYUDMPB-DXQAYGFFSA-N 415.498 1.033 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1750379565 GDQHGFNAJHQABP-ABAIWWIYSA-N 404.368 1.293 30 10 HDEE C#CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760143370 DKQBIMYVYONYNV-LAUBAEHRSA-N 419.526 1.073 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1760233189 KBWFSCKYNICDMV-LJQANCHMSA-N 410.522 1.912 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1760241450 ZXQOMVUXOKILKU-QGZVFWFLSA-N 412.469 1.486 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1760249199 WVNWXWAACWGFHJ-IAGOWNOFSA-N 410.540 1.431 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cccnc2)CC1 1760257340 UMAXHZDMDPKNAM-HSZRJFAPSA-N 424.549 1.712 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](COC)C1 1760306082 AUMHXBYTJIGXJI-UONOGXRCSA-N 401.305 1.932 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(C)C)CC1 1760516956 YRLQREPNOANFIR-CQSZACIVSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H]1CC 1760517989 DRCLMDXHZJITPD-QAPCUYQASA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC)[C@H](C)C1 1760519605 JHIZJKFHYLBAIQ-OAHLLOKOSA-N 412.494 1.506 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CC(OCC)C2)C1 1760542808 OIAKBYKPDBPEDU-IRDVNMAFSA-N 406.527 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760550531 AMIRUTQWNUUMQY-INIZCTEOSA-N 411.572 1.566 30 10 HDEE CCC(O)(CC)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1762411946 QKWGHNFGCMXEJS-UHFFFAOYSA-N 420.477 1.821 30 10 HDEE CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1764332879 VTFKVUMUJCPIRP-ZZEZOPTASA-N 422.493 1.888 30 10 HDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cs1 1764651246 QOQDSIYXGXGQOW-RYUDHWBXSA-N 411.557 1.551 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1766498397 NWKCXGPCWNHESU-QZTJIDSGSA-N 424.505 1.870 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1771223151 RBJPYQGTQIOTCN-BWZHCXAASA-N 419.526 1.672 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCOCCCO)CCN1C1CC1 1771536922 DWWYPZVFRIOMJR-KRWDZBQOSA-N 414.485 1.660 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCCN3CCC(C#N)CC3)C2)cc1 1850279084 ULBLIIGWMRCYLP-IBGZPJMESA-N 418.563 1.748 30 10 HDEE COCc1c(C(=O)NCC#CCN2CCCC2)nnn1-c1cc(Cl)ccc1OC 1850616497 YDKONYGOXXKNIU-UHFFFAOYSA-N 417.897 1.905 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1C#N 1852173040 LIYVYYBHXUUAOP-KRWDZBQOSA-N 401.492 1.864 30 10 HDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc21 1853644376 ZZSBBMKNDOIPQY-MAUKXSAKSA-N 418.519 1.873 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCCC2 1853676551 OUNLRYIKQWJRDH-MRXNPFEDSA-N 416.547 1.915 30 10 HDEE CN1CC[C@H](N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C23CCCCC3)C1=O 1854028588 GHXJADCLCKKRMT-IBGZPJMESA-N 408.502 1.705 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2=O)cc1 1854034399 BYUJPZDZKOKTFW-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE CON(C)C(=O)C1CCN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1854579229 JZVLZUOKRZPKIN-GOSISDBHSA-N 412.490 1.208 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854683024 PFFIAJJXVAPXBI-MRXNPFEDSA-N 419.503 1.247 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cnc4ncccc4c3=O)C2)CC1 1855204967 PWJIZSZMYQJKDN-KRWDZBQOSA-N 409.490 1.599 30 10 HDEE Cc1ccc(N2CCN([C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)nn1 1855377300 DHQQOSPCSRZZJU-LJQANCHMSA-N 404.474 1.149 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccnc(OCC)c2)C1=O)[C@@H]1CCN(C)C1=O 1856739176 AOVDOSHRHHSJCF-DLBZAZTESA-N 400.479 1.330 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1857235811 RYBRFKLOWQTHME-FUHWJXTLSA-N 401.511 1.591 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCC(=O)c2ccccc2)C1)[C@H]1CCN(C)C1=O 1857264412 MPRRFAWOJWDXRN-MJGOQNOKSA-N 411.502 1.743 30 10 HDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCCO2)CC1 1857375270 VHODVFJCHDAHHB-GOSISDBHSA-N 417.487 1.596 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc3c(=O)n(C)n(C)c3c2)CCN1Cc1ccc(C#N)s1 1857504931 JCGYFHVFHVWZEG-ZDUSSCGKSA-N 423.498 1.683 30 10 HDEE C=CCN(C[C@H](O)c1cccc(OC)c1)S(=O)(=O)c1nnc(NC(C)=O)s1 1857998403 ADXFQIKJDZBJQV-AWEZNQCLSA-N 412.493 1.415 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862595998 KOXIAZBEIQZTQN-QGHHPUGFSA-N 414.370 1.965 30 10 HDEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCn1ccnc1 1869933850 PVDASGXXQDQNDK-YOEHRIQHSA-N 403.508 1.543 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CN2CCC(N(C)C)CC2)cc1=O 1870560103 HHQLXICTEUNKPF-UHFFFAOYSA-N 416.566 1.109 30 10 HDEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870580388 SFZWUYFQTURSKK-UHFFFAOYSA-N 419.522 1.700 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874336231 DJPOCZAUEMGWDR-QOJWJBQSSA-N 402.480 1.545 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1F 1874431516 UQEMIUJNAWOZTC-UFFVCSGVSA-N 406.487 1.896 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(OC)c1O 1874444665 IJEZSHVLNWAKBE-NPLBWUPPSA-N 407.452 1.312 30 10 HDEE N#Cc1ccc(CNC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1F 1889212394 PFHQMUBREOVFQK-AWEZNQCLSA-N 402.451 1.672 30 10 HDEE Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nn2)n1 1890082565 URJAROZYADLPGU-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE CN(CC1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1)c1ncccc1C#N 1890973310 WIXOXNSLVVHRLA-SFHVURJKSA-N 419.551 1.442 30 10 HDEE Cn1nc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2074367965 PDYATUYVTBQKEB-QWRGUYRKSA-N 414.308 1.022 30 10 HDEE O=C(N[C@@H]1COCC[C@H]1N=C1NS(=O)(=O)c2ccccc21)OCc1ccccc1 2106034424 HCNXHSGNCYGPKW-IAGOWNOFSA-N 415.471 1.809 30 10 HDEE O=C(OCc1ccccc1)N1CCO[C@@H](CN=C2NS(=O)(=O)c3ccccc32)C1 2106115867 BYGKEOXOWXRERY-INIZCTEOSA-N 415.471 1.763 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1 2118165751 FHXHIAMSHOCBPI-RTBURBONSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1ccc(F)c(C#N)c1)C(=O)O 2195346920 XPWVBMOAVAJTKL-CQSZACIVSA-N 400.428 1.980 30 10 HDEE C#CC[C@H](CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CC1 2196767132 UWAMPMGCUOIMCQ-HZPDHXFCSA-N 400.541 1.822 30 10 HDEE CCS(=O)(=O)CNC(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2233877943 BPUVDXKEFIGCJC-UHFFFAOYSA-N 402.347 1.547 30 10 HDEE C=C(CS(=O)(=O)NOCCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241480295 JTDXWIVFDHCTOU-UHFFFAOYSA-N 406.310 1.550 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCOCC1 2243380517 AJSMUDKNCNQWDN-UHFFFAOYSA-N 408.304 1.811 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243382821 USROQOMCYDPTOI-UHFFFAOYSA-N 407.320 1.290 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243387983 DGUSTKRIQNWIOM-UHFFFAOYSA-N 402.178 1.329 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247856153 DZCQVEOTNSZWSM-UHFFFAOYSA-N 419.287 1.662 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856697 MHEITRITTWVZIC-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2247931747 ORZRSPLRRLDNPB-ZDUSSCGKSA-N 419.287 1.662 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248394824 CVXZLYGOWJVRQY-QVKFZJNVSA-N 420.315 1.621 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258183985 BHIWHGRBBOKKET-NVXWUHKLSA-N 408.476 1.431 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)S(C)(=O)=O 2267127802 LXPDZHJELXHINL-VIFPVBQESA-N 407.750 1.864 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](CO)C3)cc2Cl)OC1(C)C 2267352823 BANSWKAXWKUZPH-SNVBAGLBSA-N 407.750 1.704 30 10 HDEE Cc1ccnc(C(=O)N2CCC(C3OCCO3)CC2)c1B1OC(C)(C)C(C)(C)O1 2281998080 KGZLNEZQRZOIHQ-UHFFFAOYSA-N 402.300 1.914 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNC[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282328337 WATYCCVYYXDYNF-WCQYABFASA-N 400.375 1.632 30 10 HDEE C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329025 GZDNSHINMQIPFU-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2C[C@@H]([C@H](F)CO)C2)OC1(C)C 2282338382 MYBCDTSDSFMSDG-NTZNESFSSA-N 405.322 1.435 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCCCN2)OC1(C)C 2282347175 UJUHLAYVVXFVKN-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC[C@H](C2OCCO2)C1 2282492548 PGTQZMKFOBLSAI-HNNXBMFYSA-N 423.340 1.678 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@](C)(N)C2CCC2)OC1(C)C 2282497726 UKYXKVMVLQAJLK-KRWDZBQOSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3OCC[C@H]23)OC1(C)C 2282501718 AUJVLFAKHAUELR-NQBHXWOUSA-N 400.331 1.039 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]34CNC[C@@H]3C4)cc2Cl)OC1(C)C 2282824561 CDARBMWLDUTJFD-QFYYESIMSA-N 418.777 1.589 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@H](CN)C3)c2)OC1(C)C 2282848929 UNOIZKYJKBHIAF-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE CCN1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282850953 VMDLZCRQTYCDON-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCO[C@H](CCF)C2)OC1(C)C 2282860197 XCGOIDOLWLWCED-GFCCVEGCSA-N 405.322 1.796 30 10 HDEE CN(C)C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282881658 ALIQNOICYAYRNK-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC=CC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400680 BOCYMKNQWHWBIB-LLVKDONJSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)c2)OC1(C)C 2284400915 ZESATNXGNQVJCM-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284414092 OVVAXVLZYBZKNU-LLVKDONJSA-N 403.331 1.969 30 10 HDEE CN(C)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284426872 SABBOEIVURJKBN-JTQLQIEISA-N 402.709 1.445 30 10 HDEE C[C@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2295334814 BBCXEIVAMSCDFK-AWEZNQCLSA-N 423.340 1.872 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2362771329 XRIVRPGXOPPUIU-CVEARBPZSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 2365200148 VZNMJDXFOIMLQP-DNVCBOLYSA-N 402.557 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365246235 OGZHEVWJGOFASH-UGSOOPFHSA-N 403.497 1.682 30 10 HDEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(OC)ccc21 13789631 LPMALVPVARVSEB-VHEBQXMUSA-N 409.533 1.996 30 10 HDEE N#Cc1ccc(CSc2nc(CC(=O)N3CCC(C(N)=O)CC3)cc(=O)[nH]2)cc1 23243235 FXIOYTPDNWDMIO-UHFFFAOYSA-N 411.487 1.200 30 10 HDEE N#CCCn1cc(/C=C\C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c2ccccc21 46042452 GARSRKZBHMVMAW-TWGQIWQCSA-N 419.485 1.518 30 10 HDEE C[C@H](/C(N)=N/O)N1CCN(C(=O)c2ccc(I)cc2)CC1 109460120 CZMZTIVCZFEIGR-SNVBAGLBSA-N 402.236 1.184 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 238816764 BQKBERLNNFHCEO-SHTZXODSSA-N 416.459 1.803 30 10 HDEE CO[C@H](C)c1nc(CN2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cs1 409804948 IBMUZCJLEIKXKW-UONOGXRCSA-N 403.512 1.609 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)n1cnc(C#N)n1 409890634 YMSLSTDYOLWMAA-QMTHXVAHSA-N 403.240 1.173 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCC1CCC(C#N)CC1 442982300 LDNLMNQAFCEPQN-FHERZECASA-N 421.519 1.961 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1C 445698857 FGCOMBLXVRNLIM-UHFFFAOYSA-N 418.475 1.747 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)c1 470218294 MLQQMLWDYNHDAV-QGZVFWFLSA-N 417.535 1.592 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cccc(N3CCOCC3)n2)cc1 479036267 VDDWXDXHHFGJCE-UHFFFAOYSA-N 414.487 1.021 30 10 HDEE CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1c(C)nn(C)c1C 482403259 SSLBLPCFXHJILT-DYVFJYSZSA-N 403.508 1.843 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cn1 488784086 OLKLRAMEDLPDNX-QPTHVVFRSA-N 402.458 1.769 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC(=O)N1C 506782611 UHDIULIEBZRTBB-NSHDSACASA-N 400.826 1.025 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cccc(Br)c3C2)C1=O 532305415 SQBGUWJJEFKWAG-UHFFFAOYSA-N 406.236 1.311 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543886987 YXEHLKOKUTZMRU-UHFFFAOYSA-N 408.871 1.506 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H]3CCOC3)CC2)n1 550072893 RCXZUOYRSRMWAE-IRXDYDNUSA-N 409.494 1.412 30 10 HDEE CCN1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 554016042 QBUHDWSLFBPVNP-WMLDXEAASA-N 407.400 1.702 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)C(C)C 555131991 GQPFJKIFMJRGJL-LJQANCHMSA-N 412.600 1.895 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCCN(S(C)(=O)=O)CC1 562025299 XXKUHOVGRMNPOM-QGZVFWFLSA-N 403.508 1.612 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 566787767 IORDWBOAJYGMRR-KBPBESRZSA-N 418.469 1.486 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C[C@H](C)C#N)C2CC2)cc1 611101645 QSUQDJWVIJGQTC-OAHLLOKOSA-N 420.535 1.598 30 10 HDEE C=CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669816831 KBPJHCPICUMUMX-XLIONFOSSA-N 411.554 1.849 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)c3ccc(C#N)s3)s2)OC1(C)C 714639325 WMOHADSLBGUTBN-UHFFFAOYSA-N 411.339 1.854 30 10 HDEE C#CCN(C(=O)CCC(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 729331817 QGCIMONGIWKBIK-MRXNPFEDSA-N 405.472 1.460 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CCC2)cn1 730463129 SLRKSHWJPUVZFW-HNNXBMFYSA-N 405.524 1.642 30 10 HDEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2ccc(OCC#N)cc2)C1=O 731158198 WKCHZDNMZVBLIY-HXUWFJFHSA-N 413.455 1.960 30 10 HDEE CSCC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)c2ccccc2C1=O 732648955 LMCSGENLZCDDPY-CRAIPNDOSA-N 412.515 1.603 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 733201973 ZNGAFAGLUUASED-QGZVFWFLSA-N 420.510 1.857 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)nc1 733254136 VDKIYEGOQADKOD-HXUWFJFHSA-N 414.469 1.918 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733805834 OQBNEEHRJGWQFN-ZWKOTPCHSA-N 422.441 1.622 30 10 HDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 740202424 AZBWVFOBQBLADP-MRXNPFEDSA-N 408.457 1.746 30 10 HDEE C[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1Cc1ccccc1 745812891 FSNAEOOHXWRANM-SGRLSNSRSA-N 411.506 1.819 30 10 HDEE COc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1C#N 747446876 KYQWSEFELKBZFZ-MOPGFXCFSA-N 409.442 1.955 30 10 HDEE Cn1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C(F)(F)F)n1 748147839 LWBUGQCMMHJKKV-UHFFFAOYSA-N 415.397 1.184 30 10 HDEE CC(C)OCCCNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 749271557 ZURQLWIKXBJXJS-UHFFFAOYSA-N 408.524 1.353 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 752301849 MAMKEGVFVJIYPV-UHFFFAOYSA-N 403.504 1.377 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c2C1 753125484 HWYJUQWJTYSDJE-QGZVFWFLSA-N 420.517 1.852 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 753820827 VZTNANCUQRNPOY-NRPVIZNNSA-N 410.478 1.257 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 754531090 ZVOBFJCSFFTEAC-UHFFFAOYSA-N 404.386 1.448 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 759021244 NEGZFBZGPUDNIW-UHFFFAOYSA-N 411.549 1.425 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 773574297 MZBMHINRSDLPNT-WBVHZDCISA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774047855 WXCWXHWJFTVUGX-VDBVYFBLSA-N 408.423 1.968 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c[nH]c3nccc(Cl)c23)n1 788695080 CSCARUNFHXXHNC-UHFFFAOYSA-N 407.883 1.883 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(C)(=O)=O)cc(C)c2C)n1 788814503 PFXVBLJPLMTPEL-UHFFFAOYSA-N 403.504 1.825 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 790105482 LGOZGPSGPOASJO-GOSISDBHSA-N 401.511 1.419 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 792747699 MXYLRTNMBVYKNC-OKMZTDLNSA-N 415.563 1.404 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 794580642 YKYPEPFXCLMJDK-HNNXBMFYSA-N 414.531 1.331 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 800117532 XEHMVMBWRNINDT-LSDHHAIUSA-N 404.533 1.328 30 10 HDEE C#CCOCCC(=O)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 800463420 DZPTVBWCSVEEAW-UHFFFAOYSA-N 420.672 1.595 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)c(F)c1 804161701 VQXQKINEERXSDT-IBGZPJMESA-N 408.433 1.621 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@H](C)C1 806224964 BVVOYQLUDITNHS-APWZRJJASA-N 416.522 1.436 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809927875 GBBHGNYWCBQCDM-OXQOHEQNSA-N 419.551 1.605 30 10 HDEE C#CCCS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 810781451 BYTNCSAGQFGIKN-NXHRZFHOSA-N 418.515 1.938 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)c(C(F)F)n1 812277869 ZVPBRYQSDCTYNE-UHFFFAOYSA-N 404.442 1.788 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)c1 813983041 FTDJIBYEHWHFAG-OIISXLGYSA-N 412.475 1.386 30 10 HDEE C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 815210683 HQPFEYXSNRTXKK-BWKNOCBHSA-N 415.421 1.947 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)c1 816695542 FIFIDWBBVPFRMI-INIZCTEOSA-N 404.444 1.791 30 10 HDEE CN(CC(=O)NC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 916716735 ZBBPRTWEWQDFII-JWGURIENSA-N 423.539 1.878 30 10 HDEE C#CCN(C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)[C@H]1CCS(=O)(=O)C1 1125953399 FKMAFOZDQRUGGP-LBPRGKRZSA-N 408.430 1.807 30 10 HDEE C[C@@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1127366876 JJUHECZURSOTOX-ZFWWWQNUSA-N 402.451 1.994 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)C1=O 1132161984 QGECVGWGBMIDON-LBPRGKRZSA-N 408.817 1.151 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccncc3)CC2)s1 1135867125 IJNGVZTXRGLUKM-UHFFFAOYSA-N 420.560 1.494 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NCC(F)(F)F)C1 1136294746 LSIJYAUMRDOZMR-UHFFFAOYSA-N 419.201 1.552 30 10 HDEE CC[C@@]1(C)NC(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1139682876 HKNRBYZPNFTFSJ-WGNGHUFZSA-N 419.482 1.525 30 10 HDEE C/C(=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)CN1CCOCC1 1141804207 VENOIBKPPXQLLU-IJBSNVCRSA-N 420.535 1.716 30 10 HDEE C#CCN(C(=O)c1cc(I)ccc1N)[C@@H]1CCS(=O)(=O)C1 1142046981 SUEMPKJXOQCSLU-LLVKDONJSA-N 418.256 1.136 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1147642778 XHOBHYQSTSRFPJ-KSFYIVLOSA-N 417.506 1.851 30 10 HDEE C[C@H](CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1157076037 DPFVDGHRMAIVJW-OAHLLOKOSA-N 420.469 1.917 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](C)[C@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 1162509567 BDLHIGLWDBRJMQ-DYVFJYSZSA-N 422.482 1.662 30 10 HDEE C[C@@](CO)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)cc1 1163431071 KHKCVZNVKOPUKZ-GVJQPLCZSA-N 422.279 1.689 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)[C@@H]1CCCO1 1189432823 YPNIWZGIXZMZLR-ZBFHGGJFSA-N 418.309 1.933 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)ccc2COC)n1 1211732000 YRFXAYGFPKSDLC-UHFFFAOYSA-N 405.476 1.660 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1215733871 BXYBLMJSCFAUBE-UHFFFAOYSA-N 403.439 1.699 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CCC#N)CCN2CCOCC2)c(C#N)cn1CC 1219174073 FEXWSEYTMIPNLL-UHFFFAOYSA-N 416.482 1.636 30 10 HDEE C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1nnc(O)n1C 1251152120 LJGUZDPOYMUMAK-ZDUSSCGKSA-N 421.465 1.375 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1251478348 YDJFZKWTCTTWEB-XHDPSFHLSA-N 416.272 1.668 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1286274954 PWDSQYVGBHXSRA-KGLIPLIRSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1286294210 CDJDUOXZIKKTFN-CABCVRRESA-N 413.519 1.351 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1286349274 GZKJYFFLAZMRHB-INIZCTEOSA-N 418.523 1.669 30 10 HDEE C#CCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1286359773 JNKONQCQOUZBHP-OXJNMPFZSA-N 416.482 1.613 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1F 1286376496 LOMYJSXQJOKUEP-INIZCTEOSA-N 419.526 1.915 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286392243 BEGHVMFUKKCJTK-MAUKXSAKSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H](C)N1CCOCC1 1286404737 XJCZMRCSNMRTBK-SFHVURJKSA-N 423.517 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1286414985 GABAECAHZZGROX-SFHVURJKSA-N 412.515 1.407 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1286442915 QXVIQADBKXKUJV-UHFFFAOYSA-N 417.517 1.913 30 10 HDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1286690438 JKZTWZNNTYFDQM-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1286767926 KRKMKPSGJPMCPN-UTKZUKDTSA-N 417.510 1.986 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1286786330 QYYJBIKLMBVWRC-IAGOWNOFSA-N 410.478 1.579 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1286832690 XPLWNHVVMJWURE-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)CCC2=O)cn1 1290342009 ASVVJRUBKSTUJH-QUCCMNQESA-N 406.490 1.572 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@@H](C)O1 1291225083 KHPXQAQPKOATFT-HUUCEWRRSA-N 420.477 1.583 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1294226660 GCXRRJTZPQNUHW-WFASDCNBSA-N 402.838 1.217 30 10 HDEE C#CCC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1295257935 KUXFTJIMRQJSER-NADOGSGZSA-N 400.519 1.585 30 10 HDEE CCOC(Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1)OCC 1296166322 GBNRZUATGYGSKI-GOEBONIOSA-N 421.498 1.771 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C2=O)cc1 1297333017 AFLJXXKYCUJQTC-AABGKKOBSA-N 408.502 1.957 30 10 HDEE C#CC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 1299179043 MMLJHEAOLQIYNX-SFHVURJKSA-N 406.504 1.475 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)cc1 1299782075 KEDPFASVUMGAEM-VIFPVBQESA-N 402.354 1.491 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 1300214977 JUBGOZJUUVSSHW-WDYCEAGBSA-N 421.515 1.960 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1300382316 PYMPRSSSLUMEFJ-IHPCNDPISA-N 412.538 1.982 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCOC1 1300653856 PRHFGDXIUKWYSH-RXVVDRJESA-N 406.527 1.831 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC[C@H]1COCCO1 1300654639 BSDLVVPFLAHDGT-IBGZPJMESA-N 400.479 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)C 1300890229 GBMDGMSIMUVUHJ-UZLBHIALSA-N 418.542 1.343 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301578439 ASNUDTFBHRBVBA-DOTOQJQBSA-N 421.523 1.181 30 10 HDEE COCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301636322 GITNDFIDHZAUQQ-UHFFFAOYSA-N 409.498 1.550 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 1303026168 KTQCDODWYRNFCY-UHFFFAOYSA-N 414.502 1.933 30 10 HDEE CC(C)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1303464452 IBJHGQZJLNSPPG-UHFFFAOYSA-N 405.510 1.960 30 10 HDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CC(=O)OC(C)(C)C 1307910212 VRAYGHSKIIYBCE-UHFFFAOYSA-N 409.508 1.152 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1309844482 QCFGTMGJFYIDOC-VQTJNVASSA-N 419.547 1.805 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312469273 JYEFUEDBFLUFMV-BIVLZKPYSA-N 410.515 1.611 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1312790562 XTZUAFDPLZVICP-UHFFFAOYSA-N 410.515 1.187 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)CCOC1 1314134528 NWJYRAKLMPTYFY-NQIIRXRSSA-N 418.542 1.269 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)F)CCO1 1316537593 DTGSONJKWGTNJB-AWEZNQCLSA-N 421.404 1.727 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@H]1CCS(=O)(=O)C1 1318531324 LLHIKDJLQNZMLB-AWEZNQCLSA-N 423.292 1.292 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 1320160772 QOJWVCABQCJYID-OAHLLOKOSA-N 400.522 1.437 30 10 HDEE C#CCNC(=S)/C(=C(/O)c1cccc(S(C)(=O)=O)c1)[n+]1cc(O)ccc1C 1321607417 VIRZBSQMONCQOB-UHFFFAOYSA-O 403.505 1.826 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCC1(CC#N)CC1 1326943135 DWCLLRZKHUREQQ-OAHLLOKOSA-N 411.911 1.683 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CNC(=O)c3ccccc32)c1 1351602589 ZKPPJIVGLDGERN-OAQYLSRUSA-N 417.465 1.387 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1358874769 CPJBDCUQRZPNIR-LAUBAEHRSA-N 403.527 1.791 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1359001526 WWZMQFWDDMDPKX-JOCHJYFZSA-N 419.570 1.625 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1359246994 PULQLNRPOFZTDM-DNVCBOLYSA-N 410.540 1.520 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359298387 XYMCGQUTZNBFIQ-MRXNPFEDSA-N 414.510 1.597 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359341510 YVZNWIQLYNURQW-WMZOPIPTSA-N 417.583 1.755 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC(=O)N3CCOCC3)C2)C1 1440327182 HMJPYDACTRMKDT-ZGOJQLDESA-N 420.510 1.138 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCN3Cc3ccccc3)C2)cc1 1452053611 YLNYSKVIVXIEGC-UHFFFAOYSA-N 409.511 1.699 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccncc2)CC1 1455115481 PHKSWMCBGZJXSC-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCC[C@@H]12 1455493012 PYEVXKACPIXASA-LTUZMPEJSA-N 418.494 1.951 30 10 HDEE C=CC1(CC(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)CN(C(=O)OC(C)(C)C)C1 1455747743 YUFWZMRPRZYXSV-UHFFFAOYSA-N 416.482 1.200 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@](C)(C#N)C1 1458020694 BRWCRTKJLVNRJW-XHDPSFHLSA-N 405.398 1.513 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](c2cccc(OC)n2)C(F)(F)F)C1=O 1461832698 SQUYVVALVMWCAV-GFCCVEGCSA-N 401.297 1.214 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1467530458 QCBJXKDEFHDJMI-YWZLYKJASA-N 407.467 1.884 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC1CCC2(CC1)NC(=O)NC2=O 1467876826 CCCCJSKVODEMFE-UHFFFAOYSA-N 405.252 1.500 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 1470213646 HJSGFDVWCDPWRK-POZUXBRTSA-N 415.519 1.486 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cccc2c1OCCO2 1471431727 QMFVGRXTHISNEZ-HNNXBMFYSA-N 408.462 1.582 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CSC)C(=O)OCC)ccc1F 1471865676 ASLULPYZGVEEKL-CYBMUJFWSA-N 404.485 1.315 30 10 HDEE C#Cc1ccc(CNC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 1478187652 WFBWTTWTGKCFKY-UHFFFAOYSA-N 414.483 1.755 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478841062 OPWNSXLRWVXIPQ-OXFYSEKESA-N 404.536 1.572 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccccc3C#N)CC2)CC1 1479189305 KMKZHFDAXZDGTM-UHFFFAOYSA-N 419.551 1.640 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1504650724 BNNCJSILCJFQNB-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1505278152 YNHVFFZZVQKPGM-DAWXEUKCSA-N 404.446 1.450 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](C)OCC2CC2)CC1 1506350359 PBQIMTKNZGKAJU-ADWMHYPASA-N 400.519 1.678 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1507577373 YYTRMFNBJQFREQ-CQSZACIVSA-N 407.544 1.288 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 1507589785 ZYPYYUVSNQQUGB-MSOLQXFVSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1507618678 BTSHJLCSOHTWJM-UHFFFAOYSA-N 413.478 1.184 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1cnn(CCOC)c1 1507653219 UAROHRUVTBDQNH-UHFFFAOYSA-N 406.465 1.972 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1507658989 JRNPQWPUWJIZDP-BZSNNMDCSA-N 420.535 1.042 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1507997283 QSYAYLDPJFAOPM-UHFFFAOYSA-N 421.505 1.714 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1517670801 PLCTWWITRRIFQC-KKSFZXQISA-N 408.462 1.294 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N[C@](C)(C#N)CCc3ccccc3)CC2=O)cn1 1518037955 YXTZIOYRJNBIQN-AVRDEDQJSA-N 409.490 1.914 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1519166518 HYQWYMJMDMEBSK-MRXNPFEDSA-N 418.523 1.531 30 10 HDEE C=CCC1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CCOCC1 1531380188 QTXKTVJCBIQVPX-FQEVSTJZSA-N 401.463 1.704 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nnn(C(C)(C)C)n2)cc1 1534146318 GBPPCJBVZFDPTI-CJLVFECKSA-N 419.511 1.422 30 10 HDEE C#CCN1CCC(C(=O)N(CCN(C)C)c2nc(CC(=O)OCC)cs2)CC1 1535402907 AUYOIQCFXAKKBC-UHFFFAOYSA-N 406.552 1.489 30 10 HDEE CC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1537005338 CRNYQORXGGBBLN-YXJHDRRASA-N 409.895 1.304 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3cc(C)c(C#N)cn3)CC2)c1 1537723153 GXVSLQOORCSCLG-UHFFFAOYSA-N 413.503 1.661 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc(OCC#N)c2)cc1 1537767032 LNMNLMSANQBWFK-UHFFFAOYSA-N 401.488 1.839 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3c[nH]c4cc(Br)ccc34)C[C@H]1CS(=O)(=O)C2 1538308558 KURZDHHWQDGRPU-SJCJKPOMSA-N 422.304 1.870 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1Cl 1538760897 JEHCCDXKPLPUEL-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1538992580 UIZSKRMWBAZRHW-HNNXBMFYSA-N 421.509 1.541 30 10 HDEE Cc1c(Br)ccc(F)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539126593 QVFVDNZVMUBELF-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539414827 ZLHOPJRYIRSANM-MRXNPFEDSA-N 415.460 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2C[C@@H]2C)CC1 1539470058 XNRHUWVZMYMPRO-ZJBJCVSYSA-N 415.538 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCO2)CC1 1539484456 PVBJDBIUHLCLLQ-IBGZPJMESA-N 408.506 1.409 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OCCOC)C1 1539578216 YCYWASJAKWUYKT-CYBMUJFWSA-N 416.320 1.567 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnccn2)n1Cc1nnn(C)n1 1540180162 IFZMEAWUTNRQSU-UHFFFAOYSA-N 402.466 1.542 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1COCCO1 1540198720 OXASGDLTYHDEHZ-AWEZNQCLSA-N 405.455 1.060 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1540862495 CJFHXLQJHVLANL-OAHLLOKOSA-N 409.498 1.080 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(N2CCCC2=O)CC1 1540870705 UOPYIHNZABLSDR-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1540873923 OMJRBKUJQAOWON-JOCHJYFZSA-N 424.505 1.396 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCOC1 1540898770 UJTPTFNVZHVFTM-INIZCTEOSA-N 421.479 1.679 30 10 HDEE C[C@@](O)(CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1541952957 GFPJLXPJYYNGSY-LAUBAEHRSA-N 405.462 1.762 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1544400407 BDOYZRQFZYVWAA-WSQOEDGESA-N 414.510 1.791 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1545122765 AHZTWFYEUNYNFS-INIZCTEOSA-N 423.521 1.239 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1556585631 APLFEHHIADXUKV-AVRDEDQJSA-N 421.497 1.943 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1ccc(C#N)s1 1557083179 OJIRXAVQJVVZHC-ZDUSSCGKSA-N 401.510 1.564 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c(C#N)c1=O 1559274253 SMZYVYPGBHODDN-KOLCDFICSA-N 417.388 1.085 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 1561583805 ZVIGFQVSEBDFEY-KGLIPLIRSA-N 404.510 1.469 30 10 HDEE C#CCN(CC(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2)C(=O)OC(C)(C)C 1566335436 AVCSRGLNOCJXTA-CQSZACIVSA-N 406.435 1.142 30 10 HDEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 1569561891 YMALBPZTGMHHHO-HNNXBMFYSA-N 420.443 1.573 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cn1ccnc1)c1ccccc1 1583337397 AMXLDWODDJFAMX-QGZVFWFLSA-N 409.471 1.479 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 1584637485 IRPDRAOTNNTRSO-HJWRWDBZSA-N 419.485 1.919 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1586612623 WULNULAYNXTDSS-CABCVRRESA-N 415.918 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1587568996 ULVMMYICDYMRKJ-FCEWJHQRSA-N 410.540 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1587633086 RMYVMZYPSQETHD-MRXNPFEDSA-N 410.526 1.388 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1588065006 RCGIIDYFYJCGOG-QGZVFWFLSA-N 405.568 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1588138567 FSUCILYPRPDYMS-UHFFFAOYSA-N 420.521 1.050 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1589060188 ODFMUJWAOCOWOE-WMZOPIPTSA-N 416.595 1.906 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OC)C1 1595664809 KMAVHHWFNCNQBR-KRWDZBQOSA-N 412.494 1.747 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)C1=NN(c3ccc(F)cc3)[C@H](C(N)=O)C1)C2 1595930589 RVWXHJAJIYSIDA-FQEVSTJZSA-N 405.433 1.897 30 10 HDEE C#CCN1CCC(NC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1596617084 HECBSNQJVUVMTH-HNNXBMFYSA-N 401.511 1.850 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(F)(F)F 1596782688 FBCJCWXOWAXOGH-SNVBAGLBSA-N 403.304 1.944 30 10 HDEE CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1596979018 VCYLBNBNXJJAOI-QGZVFWFLSA-N 413.503 1.968 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)cc2C1=O 1597101824 TVKFCUOXUDTOEZ-CQSZACIVSA-N 402.472 1.698 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1611307579 DAOXBSJVJSAGBM-WFASDCNBSA-N 420.420 1.910 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1612877832 NANMVLPNJBHIAB-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)OC(C)(C)C 1616249372 IHZUANMHCSRWPY-UHFFFAOYSA-N 409.508 1.569 30 10 HDEE Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1616347989 UNUVVJHLUHOXMA-ISOHDOPZSA-N 412.368 1.976 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccccn1 1616825219 AUCPWGHYQAVZPN-UHFFFAOYSA-N 405.462 1.987 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1617696371 BOYLSKOJJJPYFQ-LJQANCHMSA-N 423.521 1.206 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N(C)C[C@H](C)C#N 1620042008 ZJEPOPAIKSCMFO-OAHLLOKOSA-N 408.466 1.799 30 10 HDEE C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1cc(Br)ccc1C#N 1621765556 BKZAFMZYBBKSHS-GFCCVEGCSA-N 401.330 1.235 30 10 HDEE CC(=O)C[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625026138 MZTYSGBXTCYVEC-GWWPLSDWSA-N 405.495 1.980 30 10 HDEE CCOC(=O)C(NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OCC 1625159592 GZDCTDOYHYMSER-UHFFFAOYSA-N 419.283 1.519 30 10 HDEE C#CCN(CC(=O)NC[C@](C)(O)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 1625489544 UIXPOTNRULYXPU-JOCHJYFZSA-N 420.506 1.984 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(S(C)(=O)=O)C1 1626519050 BZJDWKCFJGJIJC-UHFFFAOYSA-N 417.281 1.354 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1csc(I)n1 1628386128 OHSMDPFLTORHJL-LUAWRHEFSA-N 418.216 1.004 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1629301128 DRSDUZWLPVOQMY-UHFFFAOYSA-N 418.544 1.809 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1630038462 CJOFBKGDVNHTQZ-QGZVFWFLSA-N 421.475 1.125 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnn(C(C)C)n1 1631178509 BQLSYCVCNSLADK-CYBMUJFWSA-N 405.484 1.346 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cnn(CCN2CCOCC2)c1 1632692647 GGSYAAXKFAFUIE-QGZVFWFLSA-N 420.514 1.741 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccncc2)C[C@@H]2CCCO2)cc1 1632707545 GUTUKGVJRGRXCF-SFHVURJKSA-N 414.487 1.439 30 10 HDEE Cn1c(CO)nc2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 1632769840 UADGRWKEJCZJBF-KRWDZBQOSA-N 403.442 1.863 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634187510 AEIZBRZOMFHGPM-SJLPKXTDSA-N 412.494 1.499 30 10 HDEE C#CCN(CC(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 1635253186 MBEGVQNJKTZAKB-UHFFFAOYSA-N 413.471 1.885 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3csc(S(N)(=O)=O)c3)CC2=O)cc1Cl 1636049452 DTTYGBVWTVIHBY-JTQLQIEISA-N 424.891 1.912 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 1636309094 NKFSDPIAEOTMKN-XIRDDKMYSA-N 407.492 1.022 30 10 HDEE C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN(C2CC2)C1 1637865954 UQOCUHUFPDSMBO-HNAYVOBHSA-N 409.490 1.706 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CCO1 1639642537 ZJBNEYGKLLFYDB-GOSISDBHSA-N 414.487 1.451 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CCC1 1648399663 LCUKUPZTTPUFDK-IAGOWNOFSA-N 419.547 1.959 30 10 HDEE COc1ccccc1[C@@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)NC(=O)OC(C)(C)C 1651399211 ARJXCELXDBQWGU-CQSZACIVSA-N 415.450 1.632 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3c[nH]nc3I)CC2)cn1 1651414114 DEMRHQVOZBCQMA-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE N#CC[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1652244586 NRRAFOIJCJTEML-CQSZACIVSA-N 421.397 1.477 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCO1 1654268037 WNYKBUFFPPSVLM-QGZVFWFLSA-N 416.526 1.660 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)nn1 1668528109 MAOBVSUETXCJBO-UHFFFAOYSA-N 404.496 1.960 30 10 HDEE C=CC[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1668560439 TXMOUHOHKITYDD-MSOLQXFVSA-N 400.527 1.890 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 1681923382 URUFRZMRPQLQLW-CQSZACIVSA-N 416.906 1.154 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1682162787 COANFHNYBHHPAD-LRDDRELGSA-N 412.468 1.301 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1689964608 SNPBIDVLBXBSJZ-SFHVURJKSA-N 402.520 1.857 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)c(OC)c1 1689966108 LAXSRFSUZZMNSH-AWEZNQCLSA-N 408.911 1.960 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1689988326 MTYHLXLZBVSGHI-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1689989339 DLPHCCVYDKJLDI-HZPDHXFCSA-N 410.515 1.691 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1690000162 UELXFWRTEWGQLN-HOTGVXAUSA-N 415.519 1.063 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)[C@H](C)CC)CC1 1690135603 ZPDGKUPNORXAAV-GHDARCQNSA-N 419.570 1.554 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(C)(C)C(=O)NC)CC1 1690143980 IJHAMQHQVRXVJO-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2OCC[C@H]2C)CC1 1690146084 FMDLCWUVDAAXTA-NZSAHSFTSA-N 415.538 1.911 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690172607 KAWXLENZICBYDV-MOPGFXCFSA-N 419.595 1.697 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1690345728 BSNMAVQASOLSRJ-LLVKDONJSA-N 411.862 1.209 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CSCCS2)CC1 1690364672 VIXDSTOCSKEZDJ-UONOGXRCSA-N 417.626 1.893 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690506165 FKDVABFQDQAJNH-PKOBYXMFSA-N 415.542 1.428 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1690516949 VCWKLNWDSMESKA-NRFANRHFSA-N 401.511 1.996 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCNS(C)(=O)=O)C1 1690688430 VDNAQRVTSUCXNK-QGZVFWFLSA-N 421.523 1.284 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1690810320 XBDUOIMEXQVOJW-QKLQHJQFSA-N 404.490 1.873 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1692661897 GBDXSHWGQVUYAR-GDBMZVCRSA-N 424.571 1.786 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccnc2C)cs1 1693360379 HCQMOQUYNHYYKH-INIZCTEOSA-N 410.507 1.704 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1698490522 WPTGDHKWCKVGNY-KRWDZBQOSA-N 407.540 1.737 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1705551161 IDDJJLQAGVUXJT-HNNXBMFYSA-N 412.519 1.759 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1705569535 DSXNRNKROZTZFP-INIZCTEOSA-N 416.503 1.287 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1cccc(CS(C)(=O)=O)c1 1705627602 LPCOJXCKJPGRSO-UHFFFAOYSA-N 402.520 1.834 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705832314 UMCCIJONPVSAOQ-UZLBHIALSA-N 407.515 1.190 30 10 HDEE CC(C)NC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1706648099 HYLTWHVCUYHXEJ-KRWDZBQOSA-N 407.478 1.534 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1706682601 ARTDHAKWUAAYFA-MSOLQXFVSA-N 410.478 1.793 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1712320142 DZULWDJGBJFFPS-BTYIYWSLSA-N 412.494 1.271 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722276753 IWYJWLAIXBRHKA-AOMKIAJQSA-N 411.506 1.796 30 10 HDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1722314562 AYGFBEUNDJSENP-UHFFFAOYSA-N 405.462 1.676 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1722333491 WLDCNVLTMWPBIJ-QZTJIDSGSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722362016 QVXGBCXCNJOBMM-QGZVFWFLSA-N 415.519 1.272 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1722379674 WVLFGRNJDKECFZ-UHFFFAOYSA-N 408.554 1.025 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(COC)cc2)CC1 1722436554 JBANSSUWBUZSHL-IBGZPJMESA-N 408.506 1.179 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2ccn(C)n2)CC1 1722444652 CYLXIFALBVXBCJ-UHFFFAOYSA-N 417.517 1.887 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1722671944 GPTINSXZKHGHGQ-HNNXBMFYSA-N 405.528 1.120 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1722676121 ZFDCUIKGKSQNOW-OAQYLSRUSA-N 415.494 1.494 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C2CC2)CC1 1722680032 UJMNMEWAUULOES-GOSISDBHSA-N 402.543 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1722723722 CYQTXZXSZCPVKA-NVXWUHKLSA-N 411.572 1.709 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)N1CCOCC1 1727605539 DZAWMWGMNLWAFF-KRWDZBQOSA-N 410.526 1.154 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1729669250 GPNUGDQZLLSFML-UHFFFAOYSA-N 404.478 1.561 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1731182210 QYQSYOQVKLTZIE-RBUKOAKNSA-N 424.505 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1740538588 IKSMGSHMWMMAJP-HNNXBMFYSA-N 417.535 1.568 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1740591115 MXLMYGAKQZBAFJ-OAHLLOKOSA-N 402.524 1.496 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1740671280 CPLKKOJWYGAIQB-OAHLLOKOSA-N 423.564 1.590 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1740689927 KSTWFZVZIJUJKS-FQEVSTJZSA-N 415.630 1.604 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOC1=O 1740723519 QDTUSGDBNQJDCD-OAQYLSRUSA-N 423.477 1.760 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1740766855 MRRGMCJYDPEHNW-RHSMWYFYSA-N 401.533 1.096 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740787010 WOXCOCVQKFWWEO-MRXNPFEDSA-N 419.530 1.003 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740880976 SOIVBQWVTYUORN-MRXNPFEDSA-N 401.515 1.736 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)CC1 1740882444 LMOIOQRJJJWLGU-UHFFFAOYSA-N 418.519 1.878 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCN(C)C2)C1 1740978009 MVJONPBAVZQBNI-KNQAVFIVSA-N 413.522 1.802 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@@](=O)CC)C1 1740979850 LRJVSFYRUJXJAU-ONSXPEOJSA-N 421.523 1.556 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1741113303 CQARCYZAMZCLOK-QGZVFWFLSA-N 409.494 1.435 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1745898260 TXIDNYTXGATEDG-FQEVSTJZSA-N 404.515 1.537 30 10 HDEE COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1748795926 BVLNQVADRKAHHB-OAHLLOKOSA-N 409.450 1.473 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1748994470 IOGLMJFASGIFGU-YADHBBJMSA-N 423.561 1.870 30 10 HDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749236013 YSAHHSXUHKAHGE-LJQANCHMSA-N 413.522 1.607 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C1CC1 1760173138 KSPKFCGUEWVYLY-GOSISDBHSA-N 417.535 1.690 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1760176765 SSZIEUMVNQUMTL-INIZCTEOSA-N 418.542 1.973 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NC 1760196392 MSOHBDXMYZXDGU-NRFANRHFSA-N 401.511 1.164 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@H]1C(C)C 1760248679 QBOVEBDIIWGUHR-AOIWGVFYSA-N 403.527 1.766 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1760282408 CSBGINNKCNHGNF-CABCVRRESA-N 401.540 1.711 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1760289317 NUUUARAYNSCIOS-MBOZVWFJSA-N 422.599 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCOC 1760293919 IHAVPXHSPAWSNQ-NHCUHLMSSA-N 415.494 1.785 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760356780 WWRRQLFSBSZEKO-LSDHHAIUSA-N 417.470 1.091 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1760406667 JGRGCYNXVRCOOZ-KBPBESRZSA-N 412.560 1.158 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760436794 ZMOYJPQLLXSATO-GOSISDBHSA-N 410.526 1.444 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760520475 OWJNCRZRAIVLCS-KRWDZBQOSA-N 411.554 1.896 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)C1 1760543963 WZJCIIDFOYSEEZ-QWHCGFSZSA-N 407.425 1.650 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1761165383 HFYIHWRYONXWTI-RTBURBONSA-N 407.522 1.872 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761369244 OBEYJVMAPAIILW-HDRCJFCASA-N 415.498 1.162 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC=CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762429568 JIDZKCFTOAPHFX-FMQUCBEESA-N 422.493 1.432 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1766151297 AQKPZPVASHAPGS-RDJZCZTQSA-N 423.587 1.503 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC=CCO1 1767934640 HQCWKSDHNHKGNI-SFHVURJKSA-N 409.494 1.753 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1768543355 DDDDCVYOEXHYDZ-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOC2CCCCCC2)CCO1 1770746407 DKLIJSCSAOIPDX-SFHVURJKSA-N 416.526 1.982 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1771365577 BPDKMBZVXZFYGO-IAGOWNOFSA-N 400.508 1.745 30 10 HDEE O=C(O)CNC(=O)C[C@@H]1SC(=NN=Cc2ccco2)N(c2ccc(O)cc2)C1=O 1772723157 NXIRDABICVZQJA-AWEZNQCLSA-N 416.415 1.415 30 10 HDEE COc1ccc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1C#N 1852270012 JVHHBNFYIWGNER-LJQANCHMSA-N 413.499 1.847 30 10 HDEE C=CCCc1nnc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)o1 1852664346 KWHDJJHANQRFRY-MRXNPFEDSA-N 404.492 1.468 30 10 HDEE COCCOc1ccc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1853071019 DJECKSOJDQRMEV-UHFFFAOYSA-N 420.473 1.854 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2cccc(C)c2)CC1 1853472520 OIXQFMLGKIBMNZ-UHFFFAOYSA-N 420.579 1.949 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3cc(C)[nH]n3)CC2)cc1 1853552361 JDOJUGHCZGGYKN-UHFFFAOYSA-N 400.483 1.098 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)COc3ccc4c(c3)OCO4)C(=O)C2)c(F)c1 1854260373 WMBOWVCTNIRBRF-UHFFFAOYSA-N 411.389 1.676 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854401821 UHGITJUKJYMNLB-UHFFFAOYSA-N 403.504 1.765 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1c(F)cccc1F 1854591973 OCSBFQRNOYBFQO-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cccc(Cl)c1 1854625484 ULMASVFBYIABKZ-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855060654 QDQZROXTBGLVSJ-IRXDYDNUSA-N 416.547 1.628 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)C1 1855354024 AGEBVPHXVCOGAW-GOSISDBHSA-N 421.519 1.095 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1855603534 GTLKQSQEPGIPGG-JKSUJKDBSA-N 402.520 1.697 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855738015 OIXORRHOXNHAFM-DYVFJYSZSA-N 407.467 1.835 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C1(C)C 1856107172 RDDYNJILFCQRNI-CQSZACIVSA-N 416.547 1.794 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C(=O)C1 1856408122 MZWPWVUEAPCISE-CABCVRRESA-N 408.499 1.721 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCN(CCn3cccn3)CC2)CCC1=O 1856693552 SLRKVNWEMYLKGY-WOJBJXKFSA-N 401.555 1.868 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CSC3CCCC3)C2=O)CC1 1857069807 BMYSAHJQWNDDKV-SFHVURJKSA-N 413.547 1.879 30 10 HDEE C=CCNC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccc(OC)cc1)C2=O 1861512525 FDIJYYFLTRYJCT-UHFFFAOYSA-N 421.453 1.566 30 10 HDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861514523 ZBUUDBIOCPVFJK-IBGZPJMESA-N 418.453 1.785 30 10 HDEE O=C(NCCc1cnc[nH]1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931764 HGVAXAGTWOQYSJ-SFHVURJKSA-N 423.498 1.418 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870671160 PBAAQBZOOJAWBP-IRXDYDNUSA-N 408.495 1.602 30 10 HDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)[nH]c3ccc(C)cc23)c1=O 1873494610 CHERFWBWUMTEQY-UFWORHAWSA-N 415.431 1.403 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1O 1874338574 XGQMVTMLOGGSGA-UMXKZIAQSA-N 417.491 1.855 30 10 HDEE Cn1cc(I)c(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)n1 1902285928 BZUCDLJORWJHGF-UHFFFAOYSA-N 414.056 1.569 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1 1962823955 UTEZTWSQYBTGHK-ZDUSSCGKSA-N 423.267 1.995 30 10 HDEE C=C(CNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cn(C)nn1)B1OC(C)(C)C(C)(C)O1 2020856469 LHFUYRJVDXIUHK-CQSZACIVSA-N 421.307 1.685 30 10 HDEE CC(F)(F)[C@H]1C[C@H]1CS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2166416313 FEUGWZHFDZEGSV-IUCAKERBSA-N 409.289 1.292 30 10 HDEE CN(C1(CNC(=O)OC(C)(C)C)CCOCC1)S(=O)(=O)N1CC[C@H](C#N)C1 2174786346 IZTKCAGPOAJHAV-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2174787383 SWKDHDKONVPDFZ-YJBOKZPZSA-N 401.529 1.824 30 10 HDEE CC[C@H](C#N)S(=O)(=O)NCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 2194721670 ZZTFFIWAGMBMIT-OAHLLOKOSA-N 400.545 1.683 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2247839560 YUXQLPLNTOANOG-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2nn(C)nc2Br)C1 2255148845 RYSSMGGBEDPZNP-UHFFFAOYSA-N 412.288 1.501 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[S@]1=O 2267711784 PULHPRRPLOUNCE-APXPCNQMSA-N 405.372 1.189 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NS(=O)(=O)C2CC3(C2)OCCO3)c1 2277956338 QJHKWTYUMCZXKR-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](CO)C[C@H]3CO)c2Cl)OC1(C)C 2281933155 VPVJVLIINHZRCZ-QWRGUYRKSA-N 401.721 1.516 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CC[C@H](S(C)(=O)=O)C3)ns2)OC1(C)C 2282010590 YVDBBIMCVGJCNH-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC2(C1)OCCO2 2282011303 HHJGUVADJMTGHS-CQSZACIVSA-N 405.304 1.443 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2282056843 YCKNCWDMESEWRQ-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282317783 ADTHBJZOCJJVML-VWLOTQADSA-N 405.322 1.124 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](N)C(F)(F)C3)s2)OC1(C)C 2282330860 GNFHVTGAVONVHP-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C 2282331258 LLVJJLGIJJGFGS-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@H]1CNC[C@@H]1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332896 HTSFSAYZXIHWGL-STQMWFEESA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](CCN)C3)s2)OC1(C)C 2282345396 ZLPURFNIIVJBLG-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE CON(C1CNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282497821 VGMCCNHXCZNJNX-UHFFFAOYSA-N 402.709 1.163 30 10 HDEE COC[C@H](C)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501979 DYRPHTWNKUIHFK-RYUDHWBXSA-N 404.363 1.533 30 10 HDEE CS[C@H]1C[C@@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282504837 VHWLEHJAKKDDII-TXEJJXNPSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCO)CC2CC2)OC1(C)C 2282508981 DPRRKWOVTVUOAU-UHFFFAOYSA-N 401.359 1.581 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@]2(=O)CC[C@H](CN)C2)OC1(C)C 2282847976 HKQXUXRLAWFXAY-SSINHNECSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(F)(F)C[C@H]2CO)OC1(C)C 2282852561 QMSXCXCTSSZNOH-JTQLQIEISA-N 409.285 1.438 30 10 HDEE CCNC(=O)CN(CC)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857747 MEFSSEMYLXEKMV-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CCCN(C1COC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282872082 PZFAEBCPMOVODS-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C[C@@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877112 MXRSJPSROFOGNP-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CN(C[C@@H]1CCCCN1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881371 WXGWOVMSVIKCAA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C#CC[C@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338822045 WXSPSYHCSFNVGN-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE CC1(C)C[C@H]([C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365171672 MURTUBDRPADMHH-ZNMIVQPWSA-N 402.557 1.537 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792071 LIOHAVYCIHZGDA-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367806056 HNDSXOFXMJJJAH-RVKKMQEKSA-N 401.525 1.780 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367812007 OJEYEOCUUADOED-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE COCCN(CCOc1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 11563338 QUBAGPKZPDFJFE-UHFFFAOYSA-N 401.467 1.178 30 10 HDEE Cc1ccc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)s1 22694820 AUCOVEZLXKJSJY-UHFFFAOYSA-O 406.553 1.910 30 10 HDEE C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@H]12 35870972 WRDHXXQTBVFOMS-FUHWJXTLSA-N 410.430 1.993 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)CC1 45606671 IVLDLYKGQVGVCC-UHFFFAOYSA-N 424.549 1.656 30 10 HDEE CC(C)OCCCN1CC(=O)C(c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)=C1N 170178786 STLSUUNMGJOYHR-UHFFFAOYSA-N 412.538 1.642 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 238963073 YRGQPTARVRDQMT-LSDHHAIUSA-N 423.498 1.715 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 250367929 AJEWBBPONKSLGI-QFBILLFUSA-N 420.531 1.490 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 254396907 HICATRTYXXTLFH-OLZOCXBDSA-N 400.453 1.288 30 10 HDEE C[C@@H](C/C(N)=N/O)n1cnc(I)c1I 306219882 NHCCCTKVDBLUMN-BYPYZUCNSA-N 419.992 1.790 30 10 HDEE C[C@@H](C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)n1cnc(C#N)n1 409991908 KKXZSEKAARIAHH-VIFPVBQESA-N 401.370 1.449 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 435389335 KDLBKMWFQQWEIW-WKILWMFISA-N 419.503 1.371 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](c3ncc(C(F)(F)F)[nH]3)C2)n1 447363583 AMPGLPJVZYUGTQ-LLVKDONJSA-N 423.399 2.422 30 10 HDEE Cc1cccc(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c1C#N 462676934 CZFBXZWFVVJKTJ-UHFFFAOYSA-N 405.501 1.885 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 466188324 JFMQGCAFQUXXKB-APWZRJJASA-N 404.474 1.979 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCN1Cc1ccccc1 476230267 YWARMOCNANJLFB-PMACEKPBSA-N 411.506 1.186 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 480507202 WHAOBCJQRABMBH-LLVKDONJSA-N 400.416 1.195 30 10 HDEE C=CCNC(=O)CN1CCN(c2c(C(=O)OCC)cnc3c(OC)cccc23)CC1 481680686 BBMBXSBSCMOMTD-UHFFFAOYSA-N 412.490 1.844 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 490008130 ZJDBEIVFPATYNB-JOCHJYFZSA-N 423.561 1.930 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Br)cc2)CC1 492289632 GOUVEXRKPCKLME-IRXDYDNUSA-N 406.324 1.999 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503646373 YZSLWZTZLVRRAP-UHFFFAOYSA-N 406.508 1.224 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508918411 MWZADTWGOONEPP-MRXNPFEDSA-N 404.492 1.990 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 511074947 LGKDJMGVUBZROU-UHFFFAOYSA-N 418.478 1.639 30 10 HDEE C[C@H](Sc1nncn1C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 523357553 YWKIHTUMVDFLPP-FZMZJTMJSA-N 402.505 1.708 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N(CC)CC)nc1C 526842711 IIZYRDIUDGPMJH-SANMLTNESA-N 401.510 1.350 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cncc(N3CCOCC3)c2)cc1 536049213 FBGMJTFWKAMWAK-LJQANCHMSA-N 423.498 1.944 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)[C@@H]2C1 537244112 XHOUUIHBTFVZPA-YRXWBPOGSA-N 418.563 1.725 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)nc1 538744092 LDLHFPIBFORXBN-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 539596434 KONWPRRPSPHTSC-UHFFFAOYSA-N 414.531 1.307 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 555331389 QTVQPOMKTKPFQA-LPHOPBHVSA-N 415.490 1.992 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCOC2)CC1 559218309 AVEUWZIWUDFCRU-QGZVFWFLSA-N 404.559 1.327 30 10 HDEE CCOC(=O)N1CCC(N(CC#N)S(=O)(=O)c2cc(OC)ccc2OC)CC1 586140638 CVYGMENAOXFKHM-UHFFFAOYSA-N 411.480 1.839 30 10 HDEE CCc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 586298791 NQIUKTRVQLPEEM-HHHXNRCGSA-N 423.545 1.848 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CCc3cccs3)CC2)c(F)c1 586861020 VCZYAJJZAMHOLX-UHFFFAOYSA-N 400.479 1.762 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 590943620 KCSUWXJRQPLILR-CALCHBBNSA-N 400.527 1.673 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 609484408 BQQLLCAXEXJXOX-QGZVFWFLSA-N 403.552 1.198 30 10 HDEE N#CCNC(=O)COC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 731246042 SKLRATGZNQPXEZ-UHFFFAOYSA-N 404.224 1.704 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CCN1C1CC1 732651541 BXJRMZGMLUEWKI-LVCYWYKZSA-N 414.506 1.915 30 10 HDEE CSCC[C@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734291129 HAPOELJKEZZRFQ-AWEZNQCLSA-N 421.500 1.816 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CCN1C1CC1 737199477 VGMRFHTWDXVXQT-GFCCVEGCSA-N 407.352 1.984 30 10 HDEE Cc1ccc(CN(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)C2CC2)cc1 741339232 CZOXVTVJLCKQCG-DQRAZIAOSA-N 411.458 1.946 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ncccc3OC(C)C)CC2)o1 756448964 ZKZTUZYDWFGQHM-UHFFFAOYSA-N 413.434 1.543 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@H](O)C(=O)O 757471183 ODFPZPDYYJCQOC-IBGZPJMESA-N 408.410 1.090 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761326005 KHXLJDJFUHFQQI-INIZCTEOSA-N 406.485 1.724 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)s1 762232316 HWCCXKRIBLKRBV-UHFFFAOYSA-N 413.455 1.749 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 762532739 YZILLMAORXNGCX-QGZVFWFLSA-N 420.510 1.857 30 10 HDEE C#CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 765779955 DAKLXXWVPCQSPF-UHFFFAOYSA-N 420.354 1.940 30 10 HDEE N#CC1(NC(=O)COC(=O)c2cnn3cc(Br)cnc23)CCCCC1 769895662 QVQKVYQPCIGNRP-UHFFFAOYSA-N 406.240 1.991 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)CCO2 774850284 PBHBJLVMJHVECS-HNNXBMFYSA-N 424.519 1.870 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 777851193 MRJFYDQMANHCCJ-UHFFFAOYSA-N 413.503 1.161 30 10 HDEE COc1ccccc1[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1nccn1C 785626477 PIVDGBOUQFFSQX-LJQANCHMSA-N 421.432 1.961 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cncc(N2CCOCC2)c1 787059856 IBBPCRIQKZJIQL-SFHVURJKSA-N 409.402 1.465 30 10 HDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 789003908 AKBWWBCSCUHIDY-HXUWFJFHSA-N 411.439 1.612 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)n1 789122746 IDQXKHAKEPZQSG-OAHLLOKOSA-N 415.416 1.228 30 10 HDEE CO[C@@H]1CCCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 794460836 WWPXZCZXKYSCPF-OAHLLOKOSA-N 412.468 1.973 30 10 HDEE C[C@@H]1OCC[C@H]1N(CCO)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 797615758 DHUGEURZPHUBTI-OYSJTAOWSA-N 424.523 1.503 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 802666683 XEJOXGQVGZJATM-UHFFFAOYSA-N 404.875 1.856 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(F)cc1 812887763 NJMWXOCMVODVRB-IBGZPJMESA-N 423.510 1.772 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CC[C@H](c2ccccc2)O1)c1cc[nH]n1 813892586 NPQCIWBVOWIVFU-NVXWUHKLSA-N 400.435 1.730 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 871820184 XQEWBOAJDHMYSJ-TWGQIWQCSA-N 411.487 1.687 30 10 HDEE Cn1cc(-c2noc(COc3cccc(Br)c3C#N)n2)c(O)nc1=O 904836942 MVTUJVPEARDUOP-UHFFFAOYSA-N 404.180 1.749 30 10 HDEE CC(C)CN(C(=O)COC(=O)c1ccccc1OCC#N)[C@H]1CCS(=O)(=O)C1 920413817 ISKLMXGLEUEUKJ-HNNXBMFYSA-N 408.476 1.417 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192623 NLSIINQGGRXNKW-KRWDZBQOSA-N 410.559 1.811 30 10 HDEE CCCNC(=O)c1cccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)c1 1136224709 FRSJEDQQXIEHHT-UHFFFAOYSA-N 401.423 1.472 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)N3CCCCC3)C2)C1 1143814589 RDINDOLHORAZBK-TZQQIIETSA-N 404.511 1.902 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1170364453 FJEKVLXWHHSPOS-LBEKAKSKSA-N 417.531 1.830 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(Br)n2CC(=O)Nc1sccc1C#N 1189945551 IAUBCPVGPHAIGR-UHFFFAOYSA-N 409.225 1.170 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1 1191755233 ZFQSXPAWDPVGMY-UHFFFAOYSA-N 424.505 1.814 30 10 HDEE N#Cc1ccsc1NC(=O)CN1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1198731584 JHWCFPCOKYDQDP-FZMZJTMJSA-N 407.439 2.000 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)nn1 1203600281 JOPGYASHGPKPPU-UHFFFAOYSA-N 420.495 1.029 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1212123319 JOQRDEAGHUZXNX-JTQLQIEISA-N 406.229 1.398 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1254555985 HCCRMPZNLRFANT-GOSISDBHSA-N 422.551 1.109 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1264888698 ACLCMVSATADZKD-ZDUSSCGKSA-N 415.544 1.872 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1286362550 YVALJPXUGTWSEZ-QGZVFWFLSA-N 410.588 1.470 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCNC(=O)c1cc[nH]n1 1286367443 JWISGVHRXYCKDX-UHFFFAOYSA-N 401.833 1.960 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1286387388 QQCFZQDYDDHCFH-SFHVURJKSA-N 424.530 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@H](C)C2)CC1 1286485260 GZWJTWXDTHGOES-SJORKVTESA-N 414.554 1.818 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286504244 KHLNHZBWNPEISK-INIZCTEOSA-N 412.519 1.331 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1 1286562387 RKJYHRWHTWLVDS-IAGOWNOFSA-N 403.508 1.556 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1286613253 VTRHMRMBBIOAKE-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1286712178 TXSLCUIIQYDDNC-SFHVURJKSA-N 413.478 1.710 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1286796683 VAKPKTPMYRFRPK-QGZVFWFLSA-N 421.505 1.993 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286816234 JLCHWZJHCNGQPK-ZDUSSCGKSA-N 407.496 1.114 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCO[C@H](C)C1 1291022108 BPXZXHQLRCIERV-VYDXJSESSA-N 424.571 1.833 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C[C@H](C)O1 1291279467 OSBCKRNRZIWPCO-GJZGRUSLSA-N 408.466 1.519 30 10 HDEE C#CCN(CC(=O)NC[C@@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)OC(C)(C)C 1292985319 KBDRFWJAFFEKKK-MRXNPFEDSA-N 404.463 1.710 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)c2nccn2c1 1293032256 KXIQYVKJJYTGJK-DTQAZKPQSA-N 404.224 1.353 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CO)(NC(C)C)CC2)s1 1298204009 RQUJHMLBUJKQQF-UHFFFAOYSA-N 415.581 1.106 30 10 HDEE CN1CC[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1299745199 GNAFJSBWLBJPQQ-KHQOZGCUSA-N 404.511 1.758 30 10 HDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300419401 KQHOAQBNDPFVJN-LJQANCHMSA-N 420.517 1.014 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1NC(=O)CC1(C)C 1300523044 UYBYHTPAXDPPPI-LJQANCHMSA-N 419.485 1.704 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1300531513 COFOUMMFLVFTGQ-FQEVSTJZSA-N 413.485 1.751 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cccnc2)CC1 1300720039 ZWWXRYIHFOCHSC-UHFFFAOYSA-N 415.501 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2n[nH]c(C)n2)CC1 1300725873 LDPRADVVDQVBAO-UHFFFAOYSA-N 412.542 1.502 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1301127433 MNEJXDVGGBPWQV-UHFFFAOYSA-N 419.551 1.829 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@H]1CC 1301245407 CRWIHZXZWATJEJ-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cncn2)nc1)C1CC1 1301312408 BGNFINUKASBLOS-UHFFFAOYSA-N 407.482 1.595 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1)C1CC1 1301322718 LSWVVVOKKIDMPS-WMZOPIPTSA-N 402.543 1.885 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)nc1 1301412862 LNGYMTLDOPEPBV-UHFFFAOYSA-N 413.526 1.662 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(CCO)Cc1ccc(Br)s1 1301481234 JYDGGHGUGKIDJQ-UHFFFAOYSA-N 414.329 1.712 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1301502699 OFVLZETVDUUPCB-CYBMUJFWSA-N 418.448 1.116 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C2CC2)C1 1301510612 ZDOMBHBVSKILNO-HNNXBMFYSA-N 414.535 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnc(C)s2)C1 1301558764 YFVTUTRWCDXGGB-LSDHHAIUSA-N 423.564 1.775 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1301960281 PDEWFTNKXWPZTE-ZDUSSCGKSA-N 403.874 1.448 30 10 HDEE CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1302517716 BFVQJUIPBXYXTI-PKOBYXMFSA-N 413.526 1.369 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 1303790059 HGVXCHMOFVALFX-UHFFFAOYSA-N 408.479 1.891 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1(C)C 1304270785 IOGRXOWXCIDKMZ-WZFJYNIESA-N 411.524 1.323 30 10 HDEE C=C(C)CN1CCC(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 1306539410 HSKFKVCOVXKBIS-UHFFFAOYSA-N 414.510 1.147 30 10 HDEE O=C(Cn1c(=O)nc(O)c2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892916 NIHBOLARLSWATH-UHFFFAOYSA-N 422.397 1.006 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@]3(CCSC3)C2)CC1 1307867356 PTHZPQSJLSFKQM-LPHOPBHVSA-N 406.577 1.665 30 10 HDEE Cn1cc(CNC(=O)N2CCO[C@H](c3ccnn3C)C2)c(-c2ccc(C#N)cc2)n1 1312478803 BGPXEVTZUQFKBW-IBGZPJMESA-N 405.462 1.975 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC2(CCOCC2)O1 1313360405 CVJQQYDKWADZIY-JKSUJKDBSA-N 400.483 1.297 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1316025703 NUFNQXNNXSMJBD-SFHVURJKSA-N 401.467 1.617 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 1323715360 MCDLCULXJOCVNR-DYESRHJHSA-N 414.462 1.645 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1350629835 ZJNQVUSGFROVPU-AWEZNQCLSA-N 417.491 1.218 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C(C)C 1358886468 DVRLNBDIFKFUCP-AWEZNQCLSA-N 400.483 1.626 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCSC1 1358940641 GCKCPFPVXLMMIL-MRXNPFEDSA-N 410.341 1.984 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CC(OCC)C1 1358975035 ZXEBJJMRKPGZSL-UHFFFAOYSA-N 422.485 1.719 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359051858 LXSIIPDTHKJARH-KRWDZBQOSA-N 407.503 1.397 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1CCOCCS(C)(=O)=O 1359067789 BBOCCSILOCNJMT-HXUWFJFHSA-N 402.520 1.998 30 10 HDEE C=C(C)COCCn1c(N2CCN(CC(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1359137070 DCSWWQYKORXOID-UHFFFAOYSA-N 418.586 1.913 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359177377 KNCRYYWMAJSOIA-INIZCTEOSA-N 417.539 1.419 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1359226412 FKJSISJCHQUYEB-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)COCCO1 1359282951 YPSARAASBLEXAB-FQEVSTJZSA-N 404.515 1.584 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)ncc1C#N 1443567145 IPRJAGZMPYZAQO-INIZCTEOSA-N 402.451 1.984 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](NC(C)=O)C1 1451816787 GXLHUFLQVKVSLC-ZBFHGGJFSA-N 406.508 1.021 30 10 HDEE C=CC[C@]1(C(=O)NCC(C)(C)CS(N)(=O)=O)CCCN1C(=O)OC(C)(C)C 1454771679 JMXBGGFLBTUSFM-GOSISDBHSA-N 403.545 1.763 30 10 HDEE Cc1ccc(C(=O)NCCN(C)CCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1455369049 AMDZQCZLCXOCQW-UHFFFAOYSA-N 424.372 1.000 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C(C)C 1456088112 NNSLLICLFJLBKA-UHFFFAOYSA-N 423.510 1.309 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C(=O)OCC)n[nH]1 1457743035 JTQMTOZCKWHXMA-SNVBAGLBSA-N 401.851 1.634 30 10 HDEE CC(C)N1CCC(NC(=O)CN2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1459930558 GTQMJYMFRSUTIY-OAQYLSRUSA-N 401.530 1.997 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1460500607 FAQPCBPQQMFXHW-SFHVURJKSA-N 412.465 1.553 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2F)C[C@@H](C)O1 1464234611 JBSSYRDSQQPXKQ-TXEJJXNPSA-N 401.398 1.212 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1464734037 OCOTZHHOKJDXHK-FTRWYGJKSA-N 402.520 1.573 30 10 HDEE COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1465736583 OQJSXQPIBWQXLA-CVEARBPZSA-N 410.515 1.669 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466078261 SBPADORAQMNJBW-WZHMAMEKSA-N 423.510 1.810 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)n1 1471518006 WPPBFLDFBPMSAM-ZBFHGGJFSA-N 420.878 1.564 30 10 HDEE N#Cc1cn(CC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)c(=O)nc1O 1472303798 OUMKUAOZRAEODG-UHFFFAOYSA-N 400.822 1.595 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2cc(Br)ccc2C#N)CC1 1472687996 QKYPXKFUHYOTBH-CQSZACIVSA-N 409.328 1.984 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCC[C@@H]1C#N 1473707006 GXUAVVXGZLZTMU-CRAIPNDOSA-N 406.508 1.270 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1494658275 DXKHMXAYCZYLLV-ZHRRBRCNSA-N 424.505 1.448 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCNC(=O)C2CC2)cc1 1505319653 GHUZPIOYOKWGBG-UHFFFAOYSA-N 412.519 1.808 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1507533421 KZNAKCHATZONTK-LPHOPBHVSA-N 406.534 1.786 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1507685693 USSSPLBCAIGMFL-UHFFFAOYSA-N 415.461 1.832 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507830119 VSISBWGCDPOQRE-MRXNPFEDSA-N 409.498 1.046 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1508427757 RMGZDBKUAARODO-HUUCEWRRSA-N 418.523 1.671 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1509946674 HWZBAIPXYFPAJR-OAHLLOKOSA-N 422.555 1.496 30 10 HDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)NCC(F)F 1511884133 FGBBFYVXWFJXDB-UHFFFAOYSA-N 420.424 1.032 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1515100154 QRTSYOUBKOJHSI-UHFFFAOYSA-N 411.510 1.694 30 10 HDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1516809000 WVOKDWKODPDAIO-GFCCVEGCSA-N 408.484 1.036 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O 1531581765 WQFBMXQFWMTGPW-OYHNWAKOSA-N 419.522 1.927 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539218936 ALVYBBXJLKURDY-NJAFHUGGSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539220778 LMIAIHJXVKYXHZ-CABCVRRESA-N 405.524 1.046 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1539344220 XYNQZMDBWFTBJY-HNNXBMFYSA-N 412.519 1.944 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(F)c1 1539415922 HVPKWWCVMISIPT-INIZCTEOSA-N 406.483 1.454 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1539416626 QPLARCDQGYIVEK-AWEZNQCLSA-N 409.537 1.079 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1539498310 RWSYDACJBMDASD-UONOGXRCSA-N 415.585 1.116 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1539632435 RUXZVJOOXDBVDP-SQNIBIBYSA-N 418.542 1.962 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1540872093 CEDZMAYWMXLLNA-SFHVURJKSA-N 414.485 1.415 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1540877690 CABWQTIOYCKKPV-ZWKOTPCHSA-N 408.462 1.571 30 10 HDEE COCC[C@](C)(C#N)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1544123379 ZGPYWFXNSIKVOW-GOSISDBHSA-N 421.295 1.955 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1545878143 YIYKOSCLOJXRPE-MOPGFXCFSA-N 405.478 1.117 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C 1547600009 CTSIQYHWXAAAFK-OAHLLOKOSA-N 404.540 1.638 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCCN2CCOCC2)CCO1 1555994561 IVKBNRHDQUZSFV-IBGZPJMESA-N 411.510 1.105 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(C)(C)S(C)(=O)=O)s1 1557051402 BMTTVJWFEFGPNZ-UHFFFAOYSA-N 408.567 1.084 30 10 HDEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1557718508 DCWZTCCSJXSCQE-UHFFFAOYSA-N 410.386 1.989 30 10 HDEE COc1cc2nc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)c(=O)n(C)c2cc1OC 1557721467 ODYPOBURFBPHKS-UHFFFAOYSA-N 419.441 1.759 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-n3cncn3)cc2)s1 1565884322 NWJJQJNBQGVUCZ-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2cc(F)ncn2)CC1 1569402361 AMKQKCGTVWJTHQ-UHFFFAOYSA-N 408.441 1.428 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1570226659 CASCTCLCIMJIFN-AWEZNQCLSA-N 416.455 1.676 30 10 HDEE C=CCn1cc(CNC(=O)c2cccn3c(I)cnc23)nn1 1570505847 WLFWYMGDBHTGQD-UHFFFAOYSA-N 408.203 1.646 30 10 HDEE N#Cc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)n1 1584681341 GARJIBSNAVIKTP-AWEZNQCLSA-N 412.427 1.529 30 10 HDEE C#CCN1CCCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1586497569 XLFSOAFMXPIPEB-NZQKXSOJSA-N 413.518 1.970 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cnn1CCC#N 1587451662 CWZYJCYKBSNRNU-CALCHBBNSA-N 400.527 1.368 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1588993828 NXUWJLZPANIDSP-MRXNPFEDSA-N 412.519 1.534 30 10 HDEE C=CCC(C)(C)Cn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1594456138 YYEGRPPLVRZECV-KRWDZBQOSA-N 411.572 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595501428 TUNDFPFKLFVTEC-OAHLLOKOSA-N 420.395 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@]1(OCC)CCOC1 1595830901 JEJBOUQEOICDGI-BXWFABGCSA-N 410.540 1.520 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCOC2=O)c1 1596611227 IKHVKFRSVWNLCY-SILNSSARSA-N 408.480 1.670 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCC(=O)N(C)C)CCOC1 1596791386 QZIFEYLOEMEXFE-UZLBHIALSA-N 406.531 1.783 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCCNc2ncccc2C#N)C1 1597739128 ZJJKTUACLDRKHO-QRWLVFNGSA-N 403.483 1.944 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1597773852 BRHQIOPHMCCXIP-UHFFFAOYSA-N 400.527 1.308 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1598167738 IBWMGCCRUSVQSO-HIRMHNASSA-N 408.520 1.805 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1611314990 QKXKKAMKRMZTDM-AWEZNQCLSA-N 408.553 1.704 30 10 HDEE Cc1c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1C 1611892245 RVUPNUUKDVWWEI-YLJYHZDGSA-N 415.498 1.138 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1613003999 DLXLVWBUOFUIRD-HNNXBMFYSA-N 416.507 1.077 30 10 HDEE CC[C@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1614164578 REONREQICWULPF-HMWBCQRISA-N 408.466 1.640 30 10 HDEE CO[C@H](Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccc(F)cc1 1614780733 AWVQLBUZEFYYKQ-MRXNPFEDSA-N 403.410 1.750 30 10 HDEE C#CCOc1ccc(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)cc1 1617272662 JBUFOLWJEJUJPI-UHFFFAOYSA-N 422.484 1.019 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1617487302 NFHQVWLUXNDURX-SHFYGJNESA-N 414.405 1.565 30 10 HDEE CN(C)CCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1617703020 QIRXFMZWSUBXDP-GOSISDBHSA-N 418.929 1.829 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)c12 1618753764 KNEUQASADQUKBZ-UHFFFAOYSA-N 424.482 1.990 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620075920 SDPUMMZHCDXZMN-HXUWFJFHSA-N 421.505 1.656 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1620095115 PSGSJCWYRYRPDK-ULQDDVLXSA-N 423.539 1.177 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCCCCO)cc1 1620350905 OBSMRPMXPOZEPF-UHFFFAOYSA-N 403.508 1.604 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCc2c(sc(N)c2C#N)C1 1620642556 AEQROYLRIIUUAL-NSHDSACASA-N 404.517 1.991 30 10 HDEE Cc1nc2n(n1)CCN(C(=O)C1CN(c3ccc(Br)cc3C#N)C1)C2 1621059251 PXDXXMUBKLUHNX-UHFFFAOYSA-N 401.268 1.699 30 10 HDEE N#C[C@H](CO)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1624091050 OVMQZFIPGVZYNW-SJLPKXTDSA-N 416.275 1.850 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 1624730030 LCHSQALQSDTYDO-UONOGXRCSA-N 409.508 1.630 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C#Cc1ccc2c(c1)OCO2 1625113010 AGDGMLRPXBLMMH-UHFFFAOYSA-N 415.471 1.009 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1626393815 VFZCOGYRBYORLJ-CABCVRRESA-N 423.510 1.209 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)c(Br)cc1F 1628386349 UMCXIVCAAQDLQI-FYWRMAATSA-N 400.179 1.984 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CSCC(=O)N2CCOCC2)C1 1631330465 CSOOUQWCDVZWPS-SFHVURJKSA-N 402.520 1.187 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cs1 1632094916 DFTDHUMJQSROBX-OAHLLOKOSA-N 405.524 1.909 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CCNC4=O)CC3)C2)C1 1633848918 AJTRTVIRJYZEOA-BXFSZVDSSA-N 416.522 1.902 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)C1 1634492494 PRCCSPILNXHJRQ-JIIJFUIFSA-N 410.561 1.848 30 10 HDEE C#CCN1CCC(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1635160581 QTBOMTRHITUKKQ-UHFFFAOYSA-N 419.547 1.504 30 10 HDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1636193258 IGVSORVQFSHLKS-HZPDHXFCSA-N 419.526 1.745 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(C)=O)c(C)n2)s1 1636439235 HBXBMIFBIFQVML-UHFFFAOYSA-N 407.517 1.977 30 10 HDEE CN1CCC[C@@H]2[C@H]1CCN2C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1637264825 HCSCOUAFAACEMT-QZTJIDSGSA-N 418.563 1.981 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 1638532820 MXDQGHRDQRMTNZ-NVXWUHKLSA-N 406.527 1.660 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cn(C)nc1I 1639961874 JNBQEIDCBWZJBR-CYBMUJFWSA-N 410.215 1.702 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](C#N)CCc1ccccc1)CCS2(=O)=O 1640208677 STZSBXKFBOBDML-LCUHEZEJSA-N 418.515 1.774 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(=O)OC(C)(C)C)C1CCC1 1640473365 CBYUGICIHNPTRF-CQSZACIVSA-N 421.519 1.948 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1cncc(Cl)c1 1640527925 SZCZQNAIFUSDDM-LBPRGKRZSA-N 408.867 1.469 30 10 HDEE N#Cc1cn(CCNC(=O)C/C=C/c2ccc(Br)cc2)c(=O)nc1O 1641970273 FHRJWKVTJPTQHD-OWOJBTEDSA-N 403.236 1.803 30 10 HDEE COC(=O)N(C)CCN(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1645749790 KLOSBHKHHCHXFH-UHFFFAOYSA-N 424.523 1.442 30 10 HDEE COC(=O)[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCOC1 1648879886 OZBUPVUSBZTYGJ-OCCSQVGLSA-N 411.252 1.641 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CC1 1650846160 LXHJUKGWPFEPEV-UHFFFAOYSA-N 424.935 1.689 30 10 HDEE N#CC[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1655039636 LLTTVUQYCLQDBG-ZCQLHAAUSA-N 413.503 1.860 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1657840224 JLTYAXHUXCURBT-HOTGVXAUSA-N 421.519 1.477 30 10 HDEE N#Cc1cncc(S(=O)(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)c1 1663981959 CSHJQLVIJLBUNO-ZDUSSCGKSA-N 410.377 1.752 30 10 HDEE C#CCCS(=O)(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1664778182 DBLOGBABKBMNLC-KRWDZBQOSA-N 415.353 1.627 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3[nH]c(C)c(C)c3c2)CC1 1667623911 PBJKIKYIEBJIQG-UHFFFAOYSA-N 403.508 1.080 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(CO)COCCN1C 1670845169 KAOYGZMAMKQERM-KRWDZBQOSA-N 414.300 1.829 30 10 HDEE C[C@]12CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C[C@H]1CS(=O)(=O)C2 1671879393 AHOYALHCRZPLGH-MVBPIPQGSA-N 418.519 1.719 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CC[C@@](O)(CC#N)C3)cc2)C1=O 1672648732 UKNZDYAIBBWWCM-SFTDATJTSA-N 411.462 1.472 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1672906576 MQWSZUMWKHZBKV-CABCVRRESA-N 401.460 1.227 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675134408 QTVZVDOUGRIQMQ-KRQVXIAISA-N 416.547 1.334 30 10 HDEE C#C[C@H](NC(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1)[C@@H]1CCCO1 1681594122 YMGQCAUEFGNZCP-SNRMKQJTSA-N 405.520 1.795 30 10 HDEE C#CCN(C(=O)NCCCc1cnn(C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1682577208 DVWMZCBYKKTDQN-UHFFFAOYSA-N 404.515 1.792 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1682680564 ZQHJFHHYQRWTQY-UHFFFAOYSA-N 412.515 1.530 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@]1(C)COc2ccccc2O1 1683016138 VXTWREWKPQLDGM-YCRPNKLZSA-N 408.462 1.798 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccc(Br)cc1 1683513152 YFHTWPQPLCDYFZ-DOMZBBRYSA-N 414.325 1.799 30 10 HDEE COc1cccc2c1CCC[C@@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)C2 1685662594 XIYNZWXLRSQPNL-OAHLLOKOSA-N 409.446 1.343 30 10 HDEE C#CCN(C(=O)NCCn1cnnc1CC)C1CCN(C(=O)OC(C)(C)C)CC1 1686072525 QZOUCIJXLDJMBY-UHFFFAOYSA-N 404.515 1.885 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCCN(C)C)c1 1689972400 NLWRCQAGUUXKEL-UHFFFAOYSA-N 410.522 1.459 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)CCC)CC1 1690153789 APMMWPGEUTVJDE-UTKZUKDTSA-N 403.527 1.647 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690174325 BLSMXRVJDCSOHQ-MOPGFXCFSA-N 418.611 1.365 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1690245897 OFZUCMCGFQTQOO-JEWRLFTDSA-N 423.514 1.603 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1690352366 AQEUSPAAFPNHPB-UHFFFAOYSA-N 415.885 1.943 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C)C1=O 1690623976 BJJGKUSKNKVMDZ-FQEVSTJZSA-N 401.515 1.257 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2C)C1 1690684268 CDHWYBSYOLEGQF-RCCFBDPRSA-N 403.527 1.968 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1691010039 BPPNYNJCHOYCIJ-KZNAEPCWSA-N 417.558 1.668 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@H]1C 1693707135 HMSQPYWMWAIZKF-LSDHHAIUSA-N 402.524 1.848 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1693927941 BYZFRTPYDRAEEX-XOBRGWDASA-N 400.531 1.624 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2COCCO2)n1 1705631579 JIMSONOBQNDQCC-IBGZPJMESA-N 414.510 1.444 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705822899 UXOXNSRWMUUDDO-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1705852706 BEPXEAACHMGKIQ-QGZVFWFLSA-N 402.543 1.619 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705873041 VAXGGZPIENJWJC-FQEVSTJZSA-N 418.519 1.682 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1705895570 LKAPPFQWLQVRAA-IBGZPJMESA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1705902744 JGJVBIXZDKVYNB-QGZVFWFLSA-N 418.542 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1705922271 JNYUIQRMYQVNFF-CABCVRRESA-N 414.466 1.034 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(COC)CCOCC2)C1 1705922887 VEOCRNZTLHWVGI-GOSISDBHSA-N 416.526 1.903 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1708257453 IDRIWLRBRLTLQX-CQSZACIVSA-N 406.450 1.195 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1OC 1708756426 CUSJSVOFGIJAED-OIISXLGYSA-N 404.515 1.740 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1709185793 DYQRUKMGAWRWHK-DLBZAZTESA-N 421.505 1.446 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1710839906 XLYFKGODGXRGPT-GOSISDBHSA-N 411.554 1.925 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 1712711182 DOKXZBLOKLBZIA-KRWDZBQOSA-N 400.508 1.602 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1722325961 CWMIKQAUCBBTMO-UHFFFAOYSA-N 405.466 1.003 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722359256 REXRFKGZXUXEOR-IRXDYDNUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1722377334 XEPKLWLNVTVTQH-ZWKOTPCHSA-N 410.474 1.575 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1722436361 DVBKVKNFRASBFN-NRFANRHFSA-N 414.598 1.928 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722459169 DXBYMBCKIRSQKF-XLIONFOSSA-N 405.568 1.449 30 10 HDEE C=C(Br)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)C1 1722486822 DXISASNJJUVAJK-UHFFFAOYSA-N 416.283 1.361 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722585116 UCTIZVCMQROKKT-UHFFFAOYSA-N 423.974 1.597 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722616807 CWBPXZGQYDSFGG-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CCN1CCOCC1 1722693664 WOBGEAOVZUVSGO-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722694015 IQBLAHHAQDLNGV-UHFFFAOYSA-N 408.462 1.884 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1722732527 LXSPOVSHUXUCRG-CQSZACIVSA-N 412.585 1.938 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc([C@@H](C)O)cc2)n1 1726135793 CIQIFSPQDDUMAH-XLIONFOSSA-N 421.505 1.970 30 10 HDEE Cc1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726405919 JHHQMHRPOLKTIZ-DNTCVELPSA-N 413.526 1.424 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1730256369 NYULQUIQQOUVOV-CQSZACIVSA-N 408.466 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1740531590 OXFMYLKLJQTJNT-FVJLSDCUSA-N 401.511 1.700 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1740609502 OSDGZGZXDMZHHZ-LJAQVGFWSA-N 412.519 1.513 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1740610217 UTIMIMYCRLLWOX-FQEVSTJZSA-N 413.551 1.390 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1740639309 USNGMPAHHVDJPL-UHFFFAOYSA-N 424.505 1.191 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1CCCCCC1=O 1740686149 UDGCUPWSUPJTRL-GOSISDBHSA-N 403.527 1.661 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CC23CCOCC3)CC1 1740691314 ZBSCVQOECGUMDN-RTBURBONSA-N 417.554 1.574 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CCC1 1740723362 OCMRXGSVNVENOT-WHLCRQNOSA-N 403.552 1.807 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1 1740786968 VJGOOBHGNNVCIZ-MRXNPFEDSA-N 416.482 1.370 30 10 HDEE C=CCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950201 WBKSOYLWERMNGA-SOUVJXGZSA-N 404.515 1.902 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccco2)C1 1740970097 DRWQHDKXRFZGAG-QRWLVFNGSA-N 403.483 1.698 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)CC)C1 1740979845 LRJVSFYRUJXJAU-MLNJSSBLSA-N 421.523 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1740989334 JPMCZVLMMDGYOD-CALCHBBNSA-N 424.498 1.535 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO 1748638343 NISXXFDWURVEOD-IAGOWNOFSA-N 411.510 1.230 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1749020416 SCWCZTQCMIXDQH-AWEZNQCLSA-N 406.556 1.230 30 10 HDEE COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CCC1 1749399325 DTKYCQOSSKQKAP-CVEARBPZSA-N 409.556 1.983 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@](C)(C#N)C1 1749649959 DLBVNXOHDVROSX-FQEVSTJZSA-N 401.515 1.629 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1750068863 GMJYSXWONCGMGT-WCXIOVBPSA-N 403.531 1.324 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1760099935 OFBISZWVGOBJBS-BTYIYWSLSA-N 412.494 1.319 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC(C)(C)CN(C)C)CC1 1760273312 OMHPKESHWWLJOY-UHFFFAOYSA-N 404.559 1.368 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760280871 JJRMVWBOLDRACV-UZLBHIALSA-N 406.552 1.923 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(=O)NC 1760288063 OWTINBCYKKYJEE-OAQYLSRUSA-N 409.494 1.690 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)CC1 1760323103 AQUOIZJVNDPSEH-BEFAXECRSA-N 416.551 1.941 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC 1760329512 CJYKOGDVWGRYJI-CQSZACIVSA-N 408.528 1.743 30 10 HDEE CCCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766252376 ARPQSGWKKJFVPP-SQNIBIBYSA-N 421.505 1.499 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1768585310 MJHWROKFNUIEGY-GCJKJVERSA-N 424.505 1.279 30 10 HDEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1769018168 BKWISQJXKZMSNB-UKRRQHHQSA-N 404.496 1.370 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CSc2nccc(=O)n2C1 1851781262 PEFQRWQZVHHNOH-WDEREUQCSA-N 404.883 1.600 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccccc1F 1852836590 XTDCDOVBFLLNOL-OAHLLOKOSA-N 414.528 1.848 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)C(=O)C2)C1 1853729332 MROQVKNBDHFOIB-SFHVURJKSA-N 419.547 1.413 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1=O 1853745192 RUPVWPFGFVUBBB-ZWKOTPCHSA-N 403.504 1.587 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn3c2CCCC3)C1=O 1854098256 GVKLNVSHORUKNG-MOPGFXCFSA-N 413.522 1.459 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1854197743 YVFVIKSRSOESCB-IBGZPJMESA-N 406.442 1.856 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(c4nc(C(C)C)no4)C3)CC2=O)CC1=O 1854316849 DBTGRBPAWSZXKE-LSDHHAIUSA-N 415.494 1.002 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@H](C)C1=O 1855129233 IQJJZQXWCYLMTJ-ZIAGYGMSSA-N 408.476 1.766 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1 1855546969 WHMWXACYPIUSDI-CQSZACIVSA-N 402.520 1.406 30 10 HDEE Cn1nnc(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c1C(F)F 1855571216 SVEUNUMMKXXBOO-OLZOCXBDSA-N 406.437 1.900 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cc3cn4ccsc4n3)C(=O)C2)cc1 1856265742 FBJYHPCMHFABRS-UHFFFAOYSA-N 409.471 1.560 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856322272 PCNKZAHWGVDURD-UHFFFAOYSA-N 409.442 1.939 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(C[C@H]4CCCOC4)C3)CC2=O)cc1 1856849002 ULUTZHJWHCFHBG-RTWAWAEBSA-N 410.518 1.272 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1857145690 DUMSKHYZEZXLOO-MOPGFXCFSA-N 404.474 1.229 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861364464 UVILKCXGWCRKNO-CABZTGNLSA-N 403.262 1.888 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N(CCC#N)[C@@H](C)C(=O)O)CC2=O)cc1OC 1866319734 FQRNJFXQZCNINP-HOCLYGCPSA-N 417.462 1.310 30 10 HDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC[C@@H](CO)C2)CC1 1868783647 SOQXYYXPGUCYLW-NVXWUHKLSA-N 404.536 1.372 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870560238 NJCATTYLYPCMHE-KDURUIRLSA-N 403.523 1.192 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)Nc1ccc(C#N)cc1 1873867445 QIZBWFRNNOWTHJ-DZGCQCFKSA-N 420.425 1.783 30 10 HDEE CC(=O)NCc1nnc(SCCO)n1/N=C/c1cc(Br)ccc1F 1874436191 PWFWTXGZWVVJEM-CNHKJKLMSA-N 416.276 1.782 30 10 HDEE C=CCn1c(C(=O)N2CCOCC2)cc2c(NCCCN3CCCC3=O)ncnc21 1875227024 WLCWNAIPDBGQJS-UHFFFAOYSA-N 412.494 1.514 30 10 HDEE C#CCNC(=O)CCNC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21 1882885723 ZLZVYBWRQZYMOJ-UHFFFAOYSA-N 405.454 1.781 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889313786 PLKKOAOZVULGAM-UHFFFAOYSA-N 402.539 1.745 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 1889753647 HUDLYVOJNIRNHF-QGZVFWFLSA-N 414.487 1.933 30 10 HDEE O=C(NCC#CCN1CCOCC1)C1CCN(C(=O)NCc2cccs2)CC1 1890105793 ZLYMQOKICDTNQC-UHFFFAOYSA-N 404.536 1.122 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 1891234058 DSNJABHLXGHYLM-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE C[C@H](c1cccc(C#N)c1)N1CCN(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 2087883890 GQNYDPUSHPHIAC-HZPDHXFCSA-N 404.536 1.912 30 10 HDEE C#CCN(CC(=O)Nc1ncnc2c1nc(Br)n2C)C(=O)OC(C)(C)C 2124428358 YFDLMCQBXZJUQS-UHFFFAOYSA-N 423.271 1.935 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)OC(C)(C)C 2174783120 YJBGXYHPIXEFPF-QXSJWSMHSA-N 401.529 1.868 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788236 CCCQBMAZVXVSAS-MZHQLVBMSA-N 414.509 1.655 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2243370851 TUOCMKRDOUJEAH-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386547 CBSFONYFBBZVTA-YPMHNXCESA-N 406.292 1.352 30 10 HDEE C[C@@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2245258719 KIMBAZILYAJZLC-HBWSCVEGSA-N 409.336 1.888 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838563 JWRXLQGMJOGWAE-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE C[C@@]1(C#N)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258156845 PLIHOEMRIHPDJZ-QAPCUYQASA-N 409.464 1.321 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CO)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282319022 NSJKTIQLWQYPOM-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)OC1(C)C 2282492536 RIWINQFAULSHQM-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282835857 ZBFNKXLUSDSEJT-VWLOTQADSA-N 421.777 1.686 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2(CO)CCC2)OC1(C)C 2282838637 RTIUFSBPYBRPCG-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3C[C@@H]3CN)ccc2Cl)OC1(C)C 2282874398 ZXTFEWOLNTWMIL-NEPJUHHUSA-N 400.737 1.512 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CSC[C@@H]2C(=O)O)OC1(C)C 2284397125 IVYLHZNVVCRAQA-LLVKDONJSA-N 419.355 1.337 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284403598 RLKMYUFTNSYXOL-NSHDSACASA-N 403.331 1.839 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CC(=O)O)s2)OC1(C)C 2284412800 XVEVOBOIJGMPDV-NSHDSACASA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@]2(C)CC(=O)O)OC1(C)C 2284416103 UHCWHCTYHMVISE-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2342044245 MAXSJPOEDUQBFD-KGLIPLIRSA-N 406.485 1.671 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2356036370 JNLAQSDDGLTALJ-RRQGHBQHSA-N 402.492 1.548 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NCC[C@@H]2CCCS2(=O)=O)OC1(C)C 2362497510 AWRAEKPABCURFQ-NSHDSACASA-N 400.331 1.139 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2365203362 SHOQZBSRHITXHH-CLCXKQKWSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365209809 GUVCGJFFIUUKQE-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796572 QMWRARCLMOTAEZ-KGLIPLIRSA-N 403.497 1.588 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367816948 JMSDTMXXVSWHSU-YZVOILCLSA-N 400.541 1.306 30 10 HDEE CN(CCC[C@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1)C(=O)OC(C)(C)C 2367849372 LVFPDAYOLYWCJF-SFHVURJKSA-N 401.525 1.924 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369517521 UQOGVNRAPDJWRP-BRWVUGGUSA-N 401.525 1.590 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 27902502 WKGQJGBPWYDMHA-INIZCTEOSA-N 402.495 1.028 30 10 HDEE COS(=O)(=O)C[C@@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 59429348 YNUPXFGAERIFNN-SMDDNHRTSA-N 408.263 1.830 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12 100062437 XYPJAWWDSQFSQA-OZZXCXKDSA-N 420.458 1.525 30 10 HDEE biogenic,in-vitro C=CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CC1 106032373 YBVJGZPTJWEJQJ-KDURUIRLSA-N 414.550 1.356 30 10 HDEE COc1ccc(C=N/N=c2\[nH]c3c(c(=O)n(C)c(=O)n3C)n2C/C=C(/C)Cl)cc1 254591757 BDDNCRVEJRQCHM-HJAFUDADSA-N 416.869 1.453 30 10 HDEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C#N)[C@H]1c1ccco1 254612218 NDWRTKZCESUJBG-HNNXBMFYSA-N 409.423 1.087 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1c1ccnn1C 410286584 IFPLYTYONSPACY-KSSFIOAISA-N 401.492 1.712 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)cc1C#N 427143069 GYYLGVZMZPCDNN-UHFFFAOYSA-N 400.460 1.464 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(c3cccnn3)CC2)CC1 446634085 JOKRDRBUHPSYIT-UHFFFAOYSA-N 407.478 1.965 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447273710 XBQGQXWKJBOXEI-UHFFFAOYSA-N 414.437 1.422 30 10 HDEE COc1cc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)ncn1 461171756 VZNRKZXVUZFNMM-UHFFFAOYSA-N 422.489 1.861 30 10 HDEE COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@H](C)n1cnc(C#N)n1 466338041 SOGNDWPZIJJRCO-NSHDSACASA-N 406.240 1.675 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCN(C)C)CC2)nnc1-c1ccco1 479921716 FYKUYZACWCQNPM-UHFFFAOYSA-N 418.567 1.912 30 10 HDEE C[C@@H]1CN(c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cn2)CCO1 481061631 PFNMGVIDPLAOMW-CQSZACIVSA-N 404.467 1.937 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(F)c(CN(C)C)c1 482178023 GYLASUVIDCEGKV-CQSZACIVSA-N 418.494 1.742 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(OCc3ccccn3)cc2)CC1 501242769 HVTOILBSJCDUJO-UHFFFAOYSA-N 408.502 1.650 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@H](CC)C1 508476817 HMJIPXSOKVWDJK-QWHCGFSZSA-N 406.503 1.240 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512811214 CKTUNTYVWHXORB-AWEZNQCLSA-N 402.470 1.666 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 517988010 RTDZAKGBTVSPOH-UHFFFAOYSA-N 409.511 1.503 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c3c(c2)C[C@@H](C)O3)CC1 522969395 LPKPWWMOFJEICV-CYBMUJFWSA-N 413.927 1.272 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 541922217 QZDLZUWEKSCOBM-NRFANRHFSA-N 420.517 1.552 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 546047561 RPYIGYLRXYEVFV-OALUTQOASA-N 404.486 1.675 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCOC1 555511155 JZVHUJTYYSFCDJ-KRWDZBQOSA-N 418.505 1.913 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 560814350 LIENQAHTYMRRFB-HOCLYGCPSA-N 406.508 1.132 30 10 HDEE N#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 609332672 OKOUCZMXKIGDHD-UHFFFAOYSA-N 408.505 1.537 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 609431966 CMLKIOBIONQIFK-UHFFFAOYSA-N 424.954 1.776 30 10 HDEE N#Cc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)c(F)c1 613251508 FGMKLCZTSLFDIK-HXUWFJFHSA-N 410.449 1.967 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 702788682 ZOLODFCUQKNNRV-TZMCWYRMSA-N 415.899 1.718 30 10 HDEE CC1(C)OB(c2c(CC3CC3)cccc2S(=O)(=O)N2CCNCC2)OC1(C)C 725423513 IPCRSNGCBJEXPS-UHFFFAOYSA-N 406.357 1.532 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCc2cccc3cccnc23)cc1 727012545 IXHWUUUUULYTJZ-UHFFFAOYSA-N 416.437 1.738 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCN1C1CC1 732670378 ZLKQYYJSXAWDMJ-LLVKDONJSA-N 405.705 1.858 30 10 HDEE N#Cc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)c(F)c1 733040573 GCIVOUKZUKAJLL-UHFFFAOYSA-N 404.414 1.761 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 747262864 JHRSSSSQKAOXLL-YVMONPNESA-N 407.492 1.109 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccc(C#N)cc1F 755263841 SUWKXWBTWUIDSJ-INIZCTEOSA-N 404.442 1.829 30 10 HDEE CO[C@@H](CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470366 HAILTALTDNMXDF-FQEVSTJZSA-N 422.437 1.744 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1cccnc1 757606485 SAYIBJWSTVVPFX-KYHPRHEASA-N 413.478 1.476 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc(S)n2-c2ccc(F)cc2)CC1 758662300 MHJFPRMUNMQWRX-UHFFFAOYSA-N 403.483 1.360 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 765723241 IDQZAZORRACGMM-RURFIKTLSA-N 418.494 1.762 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCS(=O)(=O)C1 774229364 WANRDTIXLZCGNS-YZGWKJHDSA-N 419.547 1.108 30 10 HDEE Cn1ncc(Br)c1C=NNc1ccc(S(=O)(=O)N2CCCC2)cn1 782198874 MDYNESYLZWPOBF-UHFFFAOYSA-N 413.301 1.808 30 10 HDEE CS(=O)(=O)CC[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccccc1 789389766 VKDMNHHDDGHPHB-SFHVURJKSA-N 420.512 1.723 30 10 HDEE C[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCO[C@H](C)C2)O1 797775770 KONKQSBNBKJGCB-QEEYODRMSA-N 421.519 1.300 30 10 HDEE Cc1oc(C#N)cc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 797861866 SZIRXQNXVFISMW-UHFFFAOYSA-N 404.228 1.114 30 10 HDEE C[C@@H](C(=O)OCC(=O)c1ccc(I)cc1)n1cnc(C#N)n1 798743760 KSGVBRNDWCXBOK-VIFPVBQESA-N 410.171 1.741 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2cnn(CCOC)c2)C1=O 799859151 MOXSGFQDZDUJND-INIZCTEOSA-N 419.482 1.936 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1 801283784 RTAIKZPXCPNXTF-MRXNPFEDSA-N 424.417 1.408 30 10 HDEE CCN(CC)CC#C[C@@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 805899015 ZMVDNBGIAWBVFZ-GOSISDBHSA-N 406.548 1.808 30 10 HDEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1(S(C)(=O)=O)CC1 807110888 ZPFANJPVKDCQAL-YNEHKIRRSA-N 400.501 1.010 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 807468988 DNIYCZNEVLKXCK-VQTJNVASSA-N 419.547 1.457 30 10 HDEE C#CC[C@@]1(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 809719375 YQTGAYFSPZMHQS-XFMWISLNSA-N 420.510 1.649 30 10 HDEE N#Cc1cncc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)c1 810060182 MWAMCISQJMFCCI-UHFFFAOYSA-N 411.531 1.964 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 814398041 DHGCNYQFOAOPOL-UHFFFAOYSA-N 423.491 1.577 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCN2C)ccc1F 820459398 QVVMPKNINXEVMR-IAGOWNOFSA-N 411.499 1.225 30 10 HDEE N#C[C@@H](C(=O)NC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916926604 MQEXQDQFJHYSNW-MRXNPFEDSA-N 409.895 1.728 30 10 HDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 917769150 ZJIIAIWANHRMHB-OAHLLOKOSA-N 414.531 1.167 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1125883903 PCRJFAPLNFOHJZ-LTIDMASMSA-N 410.536 1.671 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1129008533 CHNIKBGLQRKRJN-KGLIPLIRSA-N 402.513 1.260 30 10 HDEE C#CC[C@@]1(C(=O)Nc2ncn(CC(=O)OCC)n2)CCCN1C(=O)OC(C)(C)C 1129976282 WEXQZCXBFHCGJY-IBGZPJMESA-N 405.455 1.573 30 10 HDEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1130844303 WIZLXNVJTTVOIB-AWEZNQCLSA-N 412.471 1.862 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 1136672812 ZUZBOXCTEKUHNF-BMRADRMJSA-N 405.867 1.903 30 10 HDEE CC[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)NC(=O)OC(C)(C)C 1141189934 PUFCYMYZJABKEV-OAHLLOKOSA-N 424.523 1.912 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1141486829 DVFPDPPLTZXYFK-QRWLVFNGSA-N 403.483 1.896 30 10 HDEE C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1143645023 UQPHJGFJDVKDQI-CYBMUJFWSA-N 409.508 1.599 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 1144025422 CQPUGPNFJSGRLJ-IYARVYRRSA-N 420.554 1.354 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)c1 1146212995 AYRDDQSVDWSQMJ-RHSMWYFYSA-N 406.504 1.933 30 10 HDEE CNC(=O)c1cccc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1146296980 CAJGWUKKXRPAGJ-UHFFFAOYSA-N 415.457 1.665 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1147764639 QEWNTRSMYVSXJU-KBXCAEBGSA-N 404.467 1.998 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2ccc(OC)cc2)c1 1152902656 YROIKMGDWNBCTQ-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F)C2 1158224328 PFJFIJKCDRBZIJ-RHSMWYFYSA-N 411.405 1.898 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 1160052660 UCRBYXXQELTVRH-UHFFFAOYSA-N 401.268 1.750 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)[C@@H]2C1 1162527637 YASHLLRCOLXDPM-RUIRWZRLSA-N 404.467 1.371 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCC[C@H](OC)C1 1178226589 RLVGBYFUDOPVBO-HOCLYGCPSA-N 408.524 1.426 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCCC[C@@H]1SC[C@H]3NC(=O)N[C@H]31)C2 1179869988 ZARQBCCXSCINJV-DVOMOZLQSA-N 405.549 1.812 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1180072977 FQAXDXRVTPQUKZ-IYBFAAEGSA-N 418.494 1.809 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 1198195493 YVHLFFCENAWHMY-YRNRMSPPSA-N 401.536 1.044 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1230877843 KKZSDLBZXDEDAV-LJQANCHMSA-N 422.551 1.683 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1 1233851755 HYLPZGCFWYQETB-ZFWWWQNUSA-N 407.471 1.372 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)[C@H]1CCS(=O)(=O)C1 1256219210 WUUWFWQCOGHFCK-WMLDXEAASA-N 422.457 1.620 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1286361452 PEXKZDWPUHTYSL-NSHDSACASA-N 405.509 1.011 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1286376784 NYCNUHPDMWFOIW-INIZCTEOSA-N 418.519 1.510 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386972 LDJABUCLRNDMSH-RDJZCZTQSA-N 419.551 1.961 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286476489 YAQGQGSAAKZXFK-XLIONFOSSA-N 413.497 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(C)cc2)CC1 1286479910 PWXHQQCOVDJYBX-FQEVSTJZSA-N 422.533 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286489856 DAEGQCCBBIBFBS-NRFANRHFSA-N 416.595 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCOC2)CC1 1286492220 DVYPFPDPOBMPTA-AEFFLSMTSA-N 401.511 1.174 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286498962 MVPJATSQSLPDGY-OAHLLOKOSA-N 423.564 1.731 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286556440 PISHUWJUIUPNAF-FAJBIJEISA-N 403.527 1.855 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(N)=O)C1 1286672120 GSZBHFZXJWZGHC-LIRRHRJNSA-N 409.556 1.484 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1286721955 AAYSAZOVOQRBPJ-UHFFFAOYSA-N 405.466 1.474 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286788291 UFJWOPJMTCUONH-IAGOWNOFSA-N 412.494 1.527 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1297053437 ASWPJPHQVNTZDL-UHFFFAOYSA-N 408.466 1.476 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc3ncccc3O)cc2C1=O 1297609006 DTPRJZPVQNQXGQ-QWHCGFSZSA-N 422.441 1.962 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1298328338 IERATXJTHSJAHY-GOSISDBHSA-N 410.478 1.496 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCCC1 1299207010 SPNQELFVJKIJQE-SFHVURJKSA-N 404.536 1.926 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1300381516 GPYNZFRBLFQEID-UHFFFAOYSA-N 413.526 1.312 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCc1ccccc1 1300432138 DAYSAIWDRDNTOD-UHFFFAOYSA-N 417.473 1.701 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1300471900 UASASKZTLTVBBD-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1300545894 YNLVETKPSLRARC-LJQANCHMSA-N 410.566 1.984 30 10 HDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCCC)CC1 1300696236 VZFVVVGUASYGTO-UHFFFAOYSA-N 415.567 1.794 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2(SC)CCN(C)CC2)CC1 1300709667 AQTORSBDRNMUPV-UHFFFAOYSA-N 406.600 1.397 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(CC)CC)CC1 1300720012 ZCTPNTVEDKWMFL-KRWDZBQOSA-N 424.553 1.431 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H]2CCOC2)CC1 1300733472 WIMULLCOIHKPBJ-FUHWJXTLSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1300752137 WJKPVWAGABQBPG-CQSZACIVSA-N 413.503 1.707 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1300971801 GEPARONLTCNTSZ-KBPBESRZSA-N 421.514 1.963 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1300988835 KJZBBXVNUCCTGP-GOSISDBHSA-N 420.558 1.023 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301463098 MWSRGNWLLPTWAY-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1304002346 QDYSOAIZJWVUDK-LIRRHRJNSA-N 422.528 1.766 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)n1 1313364824 YCXIPPQCJYMYSP-RRFJBIMHSA-N 410.482 1.850 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 1320349776 DOYZQXMQIRESDR-AWEZNQCLSA-N 400.522 1.115 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CCC)C(=O)C1 1358927968 PFCKZDGPFMYPEK-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358956760 KKMLMCHGKLMNOI-IIDMSEBBSA-N 412.581 1.286 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1cccs1 1358969009 DWPPSBJCOXQDRX-JKSUJKDBSA-N 419.576 1.901 30 10 HDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1359057824 JUDVSUODIOZRCH-CYBMUJFWSA-N 405.474 1.825 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359298877 OHAPTBSGAYMKIS-IIBYNOLFSA-N 412.494 1.335 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1359326195 UZGMTZZVHJOUTQ-SFHVURJKSA-N 420.477 1.687 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359330058 FHTBUJVENQDGPY-SJORKVTESA-N 418.567 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359333285 SRLOBVLYCKZXCK-ZIAGYGMSSA-N 412.512 1.582 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359334065 RYFBKDCSWIZCBC-HDICACEKSA-N 418.519 1.340 30 10 HDEE CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359595971 XNDVVPHDISXZPM-OXJNMPFZSA-N 406.506 1.725 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCOCC1 1437868095 AWAABAYMFJRCSE-FQEVSTJZSA-N 404.532 1.940 30 10 HDEE CCC[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1448557894 ULDMXAIDQKUSOP-NVXWUHKLSA-N 414.462 1.859 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC=C(c3cnn(C)c3)C2)s1 1453158962 HHJBNGGCCHPEPE-UHFFFAOYSA-N 406.533 1.804 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCO1 1463090616 MSAUEWHMIHGLIQ-SFHVURJKSA-N 413.446 1.507 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCCCNC1=O 1464649915 RKQZJGLOPAQRNO-AQZMIJIOSA-N 404.511 1.900 30 10 HDEE C=CC[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1466783738 WOEQXKOYYASPHZ-LSDHHAIUSA-N 411.499 1.516 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)Cc1ccc(Br)cc1C#N 1468178655 MHBHCISQQCVSHX-CQSZACIVSA-N 412.284 1.865 30 10 HDEE COCC(C)(C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469216167 FTOMWBHRHYKYTN-UHFFFAOYSA-N 422.551 1.075 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1c(F)cccc1F 1469876065 APOYGVVJEGLSBC-UHFFFAOYSA-N 402.419 1.047 30 10 HDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1470733715 FWFRVQFELISTPS-UHFFFAOYSA-N 408.549 1.883 30 10 HDEE C=CCOCCCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1470822678 WAQQXWFZGBGDFF-HNNXBMFYSA-N 411.499 1.631 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc(N(C)C)sc3C2)c1 1471658649 VZOBXWSNPNRVET-UHFFFAOYSA-N 404.517 1.319 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)C1 1471789881 TVXQTBBKXDVTDV-UTKZUKDTSA-N 401.463 1.830 30 10 HDEE C#CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882585 QJECCSUGJOPRHF-UHFFFAOYSA-N 414.470 1.169 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCc4sccc4C3)c2)C1 1472246547 IGWQOVLKESNGPN-UHFFFAOYSA-N 402.497 1.315 30 10 HDEE C=CCCCN(CC)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1475760272 HOAMEGZRSKDUFS-UHFFFAOYSA-N 416.565 1.993 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)c(C)c2)CC1 1476222789 YNOLYKDGLSYOPR-UHFFFAOYSA-N 404.414 1.631 30 10 HDEE COCCOCCOCCN(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1478403041 HLFBUVJYNQXWTQ-HZPDHXFCSA-N 414.503 1.066 30 10 HDEE C#C[C@H](NC(=O)NCc1nn(C)cc1I)C1CCOCC1 1478628947 SAYAEQBXNMWCTK-LBPRGKRZSA-N 402.236 1.252 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCCO2)n1 1492519582 RAKFAKNPJICTGH-MSOLQXFVSA-N 412.494 1.963 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)NC(C)(C)C)CCOC1 1502618211 HIPWKODSKMXKKS-QRWLVFNGSA-N 406.531 1.973 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1505013922 ACUKRDLMJPWCJZ-GOEBONIOSA-N 413.482 1.436 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C[C@H]21 1505088655 OTFBOFPBSAGRFE-XUVXKRRUSA-N 411.506 1.934 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507590417 DLWKOAKNIAHRTM-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCO[C@H](C)C1 1507701843 BVTLJHRKKDKLJJ-MSOLQXFVSA-N 403.527 1.805 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(N(C)C)CCSC2)CC1 1507731101 ALGPBJTVMCQLPZ-GHTZIAJQSA-N 418.611 1.712 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCC)CCC2)CC1 1507731534 KWOTXOIMECEXRE-SFHVURJKSA-N 419.595 1.906 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1507758026 GNRNQFVNCAOOGC-DNVCBOLYSA-N 407.540 1.011 30 10 HDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1507775060 HLPVCYAIZKNPRF-UHFFFAOYSA-N 420.271 1.112 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1507832796 NGIZBUKQERDQQQ-UHFFFAOYSA-N 408.510 1.944 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C(C)=O)CC2)C1 1508128227 NBKJZUMNWYPBRT-RTBURBONSA-N 418.542 1.075 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1512394660 NNSKEHIQHIDSAE-JTDSTZFVSA-N 424.505 1.821 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1516220387 FDJYWIUAOPVNOY-UZLBHIALSA-N 406.531 1.247 30 10 HDEE C=CC[C@@]1(C(=O)NCCNC(=O)c2cnccn2)CCCN1C(=O)OC(C)(C)C 1521695070 URSDWAHAEOBGAI-FQEVSTJZSA-N 403.483 1.668 30 10 HDEE CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCS(=O)(=O)C1 1524605504 ALUZGGFYMFYCNI-LLVKDONJSA-N 401.282 1.735 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)ncc1C#N 1527941107 CAKLUNSPIDGNRU-UHFFFAOYSA-N 410.459 1.285 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cnn(-c2ccccc2)c1I 1528571027 DIHCXSDPLJVHSA-GFCCVEGCSA-N 407.211 1.951 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3=CC[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1C#N 1529119008 HTPNBUNOIVYJAX-INIZCTEOSA-N 414.510 1.862 30 10 HDEE CS(=O)(=O)c1cccnc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1529591946 HHQCKMYZEHSPSL-UHFFFAOYSA-N 421.482 1.867 30 10 HDEE C=CC(C)(C)CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1533451523 NFGVSKCAHTZQMF-UHFFFAOYSA-N 410.536 1.977 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](c3cccc(Br)c3)C2)C1=O 1533582822 WZXXPMURSLFVBR-CYBMUJFWSA-N 420.263 1.742 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CCC2)C1 1539053433 RRDBPMWYCOFFKN-INIZCTEOSA-N 409.556 1.699 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539202853 LQBHXRWGJSDWQJ-CQSZACIVSA-N 421.489 1.522 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539211010 FPKULTPLMDAKGA-BEFAXECRSA-N 406.508 1.634 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539272868 FREMEGSSOINUIY-KNQAVFIVSA-N 408.506 1.551 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1539416977 WNQSEIPLKIABQK-HNNXBMFYSA-N 423.564 1.388 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOCC(F)F)CC1 1539436193 NBVWQLWNGBPADV-UHFFFAOYSA-N 405.449 1.991 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1539512341 BRYNPXQHOKCCPS-GJZGRUSLSA-N 400.512 1.029 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cccnc3)CC2)s1 1540617293 BYZNFKILERCEIT-UHFFFAOYSA-N 420.560 1.494 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1540646208 AQMXURIHFJCOLL-IBGZPJMESA-N 413.540 1.320 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CNC(=O)c3ccccc32)nn(-c2ccccc2)c1N 1540797057 JNZIFHGZRWKVLY-LJQANCHMSA-N 414.469 1.902 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@]1(OCC)CCOC1 1540876533 UVROJJFJZYTKHK-LZJOCLMNSA-N 419.526 1.380 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1541112073 DVSIMCNAAOEXTO-QFBILLFUSA-N 421.549 1.924 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1544078141 CMRIMHVYZONVHR-LJQANCHMSA-N 401.532 1.768 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCCCOc2ccc(S(C)(=O)=O)cc2)CC1 1544630386 IIPVQDLKKRCRRI-UHFFFAOYSA-N 422.503 1.945 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1554128357 YPTPZBOFXFJCOE-UHFFFAOYSA-N 407.482 1.344 30 10 HDEE COc1ccc(OCCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554982044 JARSYXXVVORJLY-APWZRJJASA-N 413.478 1.988 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1556959506 CRLSYAHFYICCBD-SJLPKXTDSA-N 417.487 1.465 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c(C)o1 1557242776 DUKPYEQGCIBIMA-INIZCTEOSA-N 402.476 1.719 30 10 HDEE Cc1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1S(N)(=O)=O 1557298847 DNIMTAAAIPZHKE-UHFFFAOYSA-N 412.515 1.909 30 10 HDEE Cc1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1S(=O)(=O)N(C)C 1558559815 BZPLHAPOTKLHME-ISLYRVAYSA-N 406.464 1.100 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OCC)C[C@@H]1CO 1558734756 UNHROUKXAXWFPC-RDBSUJKOSA-N 419.906 1.588 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1559026785 YEAHBOLKUPPCJQ-HNNXBMFYSA-N 416.381 1.861 30 10 HDEE C[C@H](NC(=O)CNC(=O)CN1CCC2(CC1)CC(=O)C=CO2)c1ccc(F)cc1 1560184376 LOZVOXQDIQDBGM-HNNXBMFYSA-N 403.454 1.457 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1562002334 WFAOXBCAQRQXAO-QRVBRYPASA-N 406.504 1.840 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCCc3nc(C#N)ccc32)CCS(=O)(=O)CC1 1585177983 RVDMWKLDARMJOP-UHFFFAOYSA-N 419.503 1.769 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCn2cncc21 1585868520 LZLCZIJWWNNVCN-CABCVRRESA-N 401.492 1.598 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1588050016 OZFUQIXDIDROHV-INIZCTEOSA-N 415.519 1.312 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1588229410 WIWOGOXMMCBUQW-SFHVURJKSA-N 414.535 1.009 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCO)CC1 1588791435 UPNYPRHDMCUGNQ-UHFFFAOYSA-N 411.506 1.634 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCOC)CC1 1588837051 PRZOASHAWXWBSY-FQEVSTJZSA-N 411.506 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595784859 LQFXDAYTAMRDDG-GOEBONIOSA-N 408.528 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@H]1C 1595805754 TVIMNCVIFJZTGI-OAHLLOKOSA-N 408.499 1.834 30 10 HDEE N#Cc1cc(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cnc1C(F)(F)F 1596071791 MPNFTSHHXPNHTA-MRXNPFEDSA-N 405.380 1.998 30 10 HDEE N#Cc1cc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)ccc1C1CC1 1596459559 LPBKZGUNTGWPGM-OAHLLOKOSA-N 400.460 1.540 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1598120205 BHHPGVXZSGDWAO-LJQANCHMSA-N 400.523 1.952 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCSc3ccc4c(c3)OCCO4)C2)c(=O)nc1O 1607488485 IJQVDHZITCZJJP-UHFFFAOYSA-N 414.443 1.157 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1C 1614768834 RXYZIVYLTGPGQJ-UHFFFAOYSA-N 423.445 1.183 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1616201901 FSOLTQBIDCMMMK-UZLBHIALSA-N 402.499 1.339 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1 1619165971 YPSGZWZATLVYTC-AWEZNQCLSA-N 408.466 1.761 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(CNC(=O)OC(C)(C)C)C2)CC1 1619894879 AYCABBLYRIPVJN-AVRDEDQJSA-N 404.555 1.391 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1623969474 LQGORHUQRJHOAD-MRXNPFEDSA-N 424.519 1.302 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(NCCc2ccccn2)cc1 1627264164 CDFCNVOZHBMLKL-XDOYNYLZSA-N 405.458 1.992 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN3CC(F)(F)C[C@H]3C2)ccc1F 1627888304 GMBYMXOBKVZYNF-ZDUSSCGKSA-N 403.426 1.455 30 10 HDEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1628895395 VCBAWVJQMBVDDN-VBSBHUPXSA-N 408.502 1.959 30 10 HDEE COC(=O)[C@H](O)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1631119937 KXMJVVHXYDLHKX-JKSUJKDBSA-N 411.499 1.736 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccn3CCN3CCOCC3)C2=O)cc1 1632768343 FQOJCYLTOYZADI-HXUWFJFHSA-N 421.501 1.617 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C(=O)OCC 1635606443 IIEICQMLDLWSPI-AAEUAGOBSA-N 406.863 1.683 30 10 HDEE C#CC[C@H](NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1)C(=O)OC 1637697468 TXJJYIOEAACWBW-SFHVURJKSA-N 422.441 1.792 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)n1 1638529028 STXDUERAFKMSQU-UHFFFAOYSA-N 412.372 1.073 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2CN(C)C3=O)s1 1639023143 GFUOIZVYUJQDEW-UHFFFAOYSA-N 405.501 1.979 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C2CC2)c(=O)nc1O 1644550904 AWIIVZUBCSSORI-CYBMUJFWSA-N 412.874 1.936 30 10 HDEE C=CCCC1(CNC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)CCCC1 1645356767 MQKFPHANHRJALJ-UHFFFAOYSA-N 407.492 1.885 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1CC1CCOCC1 1648372598 PZICQEOAKLDCQT-MAUKXSAKSA-N 421.519 1.269 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1656431677 DNMZGCNHZQAFEE-USXIJHARSA-N 418.437 1.739 30 10 HDEE COC(=O)CN(CCN1CCN(C)CC1)Cc1cc(C#N)ccc1Br 1657908749 GGTAWIHFFNRZGP-UHFFFAOYSA-N 409.328 1.543 30 10 HDEE C#Cc1ccc(CN2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1658443267 YVTKYYSASYVJGB-UHFFFAOYSA-N 419.547 1.735 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)cc1 1658659095 LPKGWYSWONUNRK-LJQANCHMSA-N 407.492 1.172 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1661349261 BBWIKAPSKWEFNM-JTQLQIEISA-N 403.258 1.278 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C1CCOCC1 1670502176 HCPFORVXKGLSGP-GOSISDBHSA-N 404.488 1.411 30 10 HDEE C#CCN1CCC(NC(=O)NCCNC(=O)c2cccc(Br)c2)CC1 1678366204 RRXOEAPXLUPLCY-UHFFFAOYSA-N 407.312 1.576 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCCN(C2CCC2)C1 1681273351 MZVCYRUQCPKWOY-UONOGXRCSA-N 400.483 1.040 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)cc1 1683683996 IKPOZTBFQWHOHC-UHFFFAOYSA-N 418.441 1.363 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1689826586 QYXFCUYHIXXLFI-GJZGRUSLSA-N 417.535 1.720 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC=C 1689944253 NPBQOUWRADYBOX-UHFFFAOYSA-N 415.519 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1689964700 VFSZVZRYEXPMQW-CQSZACIVSA-N 415.502 1.034 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1689999745 HLDRMWBHHXVIMP-OXJNMPFZSA-N 421.567 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690000288 XVCGXZCINZGNLH-ROUUACIJSA-N 417.579 1.853 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690080504 XFUCUIZVLBXDCF-FQEVSTJZSA-N 423.565 1.666 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)c1 1690103866 IAFHPOYSKMZPBA-IBGZPJMESA-N 416.547 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCO[C@H]1C 1690104825 JYBGBWSYOHBXEZ-BTYIYWSLSA-N 420.460 1.773 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690168041 URVDFMHRJSUSGA-UHFFFAOYSA-N 422.518 1.293 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690470777 LACKBQBBUOJCJS-MRXNPFEDSA-N 413.482 1.233 30 10 HDEE C=CCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1690653548 WRTQYSDBHGCMHY-DYESRHJHSA-N 403.527 1.859 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695867619 FUUOTUHTPGTTCN-ROUUACIJSA-N 410.526 1.095 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)cc1 1697361268 GINCWQOANVKQNO-IBGZPJMESA-N 401.442 1.937 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1705549408 UTNRZTUEQNLWMQ-ZZEZOPTASA-N 406.446 1.550 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705566093 XPWVTIHPENURCF-GOSISDBHSA-N 413.503 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nncn1CC 1705624034 NZZJRFVSIGWLPJ-UHFFFAOYSA-N 400.874 1.739 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(N)=O)C1 1705694866 UAVAVZZJCSBGSU-XFQAVAEZSA-N 416.526 1.197 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H](C)C2)C1 1705914560 OUYHDZUELHRWDF-QZTJIDSGSA-N 404.559 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCOC2)C1 1705920646 BUMMFILKMPEMOF-DNVCBOLYSA-N 405.886 1.926 30 10 HDEE CC(=O)Nc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1706005461 DSOIDWJVTBAIJS-IBGZPJMESA-N 420.477 1.608 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1706073217 LQSVPOUOIWSNRO-CAMPQQCRSA-N 418.523 1.903 30 10 HDEE Cc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCCO 1707650357 NZASLXVXHLCKLI-LJQANCHMSA-N 410.522 1.829 30 10 HDEE CCc1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709055022 UQKFJVBTLDSBCC-JGWKNBOWSA-N 400.483 1.372 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712876736 TYFHQTFDLSABKN-QKLQHJQFSA-N 403.433 1.990 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@H](N1CCOCC1)C(F)(F)F 1722345341 OXAGKWDOLHTYSB-CABCVRRESA-N 419.448 1.335 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1722361420 MZYCTMGOLFXARV-OAHLLOKOSA-N 412.475 1.312 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)N1CCOCC1 1722420090 FSCWGFSUGLZQLD-GOSISDBHSA-N 413.522 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCO[C@@H](C)C1 1722420202 DZMMSPTYSYSDCU-WFXMLNOXSA-N 406.527 1.831 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722433664 ADDLXVVTRQBRMW-DLBZAZTESA-N 416.913 1.289 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1 1722499381 AYHREWWDNSLLNS-RDTXWAMCSA-N 411.528 1.791 30 10 HDEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1723016868 NCUJUKHVIQMEFQ-INIZCTEOSA-N 412.494 1.855 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1723868521 HKQHTBZMZJPURB-KRWDZBQOSA-N 407.522 1.827 30 10 HDEE Cc1nnc(N2CCN(C[C@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C#N)o1 1726409469 ILBXUZJXEFBNEG-FQEVSTJZSA-N 413.526 1.331 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCS(=O)(=O)C2)c1 1740562126 LPGAJUMKHBOZPV-MRXNPFEDSA-N 401.492 1.077 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1740620678 GYLCQCPZCWGBKG-HNNXBMFYSA-N 406.483 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1C 1740649613 YKAATNFZRVTKEI-JOCHJYFZSA-N 410.522 1.872 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCO2)CC1 1740693269 WCOJMNJTKYMYQO-VXKWHMMOSA-N 417.554 1.643 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCCN2CCC[C@@H]2CO)CC1 1740705662 KMUJRTVMTMKSLZ-LJQANCHMSA-N 416.570 1.043 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(C)cn1 1740724665 GSHOPYPTGWSCRY-MAUKXSAKSA-N 405.528 1.086 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)CC1 1740752402 WHCXVPNHFGSCGC-ULQDDVLXSA-N 412.556 1.552 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1740962400 CEPHHSSNQJMJFG-UHFFFAOYSA-N 414.470 1.479 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1743153713 QKXNYKLCQOSEMU-MMYRVIJDSA-N 422.493 1.744 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCOC1 1746663126 YQLLKBAQGVFCNV-FOIQADDNSA-N 401.467 1.916 30 10 HDEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747598278 AWXUDGIFYWJMDA-UHFFFAOYSA-N 410.526 1.327 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1748393197 QSOXHWCVGLCGBG-VFNWGFHPSA-N 410.478 1.623 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748750344 CWGXMSUXKMUAMG-SFHVURJKSA-N 408.506 1.943 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1nccc(C(F)F)n1 1748785053 LJNXMKAVFZYOOA-UHFFFAOYSA-N 401.377 1.851 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748817227 GUTVXCNOFVMYFV-QGZVFWFLSA-N 404.540 1.453 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1748906596 ALVTUZUIWSVABG-NQIIRXRSSA-N 405.543 1.499 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCn2cncn2)CC1 1748994570 KIGBYXOAPGCIQM-UHFFFAOYSA-N 420.521 1.521 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749039474 UYOOBOWPMPNMPF-MOPGFXCFSA-N 419.595 1.697 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cncn1 1749564232 RTQHGRJEYMELNK-UHFFFAOYSA-N 413.507 1.819 30 10 HDEE C=CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1749764301 YNZXBOBDLCVJBL-UXHICEINSA-N 421.567 1.708 30 10 HDEE CS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750204207 GTMSXHIJMJZHCF-UHFFFAOYSA-N 415.523 1.183 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1750389941 RTKRHPWLYODDAW-HNNXBMFYSA-N 408.453 1.955 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F 1760193539 IDXONKDQEZPDLM-UHFFFAOYSA-N 419.420 1.611 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)C1CC1 1760223093 KFUDJHASSDOBHP-UHFFFAOYSA-N 409.465 1.985 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760324741 MDPBEVZNQGWLCY-BLIXFSHQSA-N 410.522 1.912 30 10 HDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(N)=O)C1 1760412176 WUIJRKDZCAWOJF-CYBMUJFWSA-N 400.483 1.920 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1760559457 HOTMTNFFWWWXRM-OLZOCXBDSA-N 405.615 1.749 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2)N(C)C 1761395416 BCKGPDUNFMYQPS-MRXNPFEDSA-N 407.522 1.873 30 10 HDEE CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1764713889 XWTKSANNECNQSC-CZIZESTLSA-N 424.461 1.699 30 10 HDEE CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1766064895 GYXHACJWPISADC-LSDHHAIUSA-N 420.539 1.931 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1CCS(=O)(=O)CC1 1769846821 IDWDOPVXLKQXIV-MRXNPFEDSA-N 411.528 1.321 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1770599113 BHQMODNVKYPKEW-IRXDYDNUSA-N 423.477 1.420 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CCNC(=O)CC2)o1 1770739869 CIEAWEURXHJOJY-UHFFFAOYSA-N 410.409 1.835 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1772564676 RTLOBAYMLUBGBQ-HNNXBMFYSA-N 404.496 1.204 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)c1 1848858712 AUYDLUZEWTWRCP-UHFFFAOYSA-N 404.426 1.867 30 10 HDEE C#CCCN1CCN(C(=O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 1851834800 VRQRRGHLRAVQTE-UHFFFAOYSA-N 407.449 1.470 30 10 HDEE Cc1ccc2ncc(C(=O)Nc3nc(N4CCN(C)CC4)c(C#N)cc3C#N)n2c1 1851963004 YOQMPKJKKRBXEW-UHFFFAOYSA-N 400.446 1.785 30 10 HDEE C[C@H]1CC(=NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)NN1c1ccc(Cl)cn1 1852495787 VODSTDYEIZMYPN-KBPBESRZSA-N 418.929 1.706 30 10 HDEE NC(=NOCCC(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc2C1)c1ccncc1 1853555159 DYTADGXDUUXGPX-HXUWFJFHSA-N 421.501 1.685 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3noc4ccc(C)cc34)[C@@H](C)C2=O)CC1=O 1853618203 YOUPLOQFNISTGF-HOTGVXAUSA-N 410.474 1.730 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 1853799935 NDUMUBNCBZYQFA-IBGZPJMESA-N 404.474 1.231 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)CCN3CCCCC3)C2=O)CC1=O 1854103753 IGYKKSKBDMHJLV-RBUKOAKNSA-N 404.555 1.346 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1855083458 PICGTROOHLHDDS-MSOLQXFVSA-N 401.511 1.736 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(CCn3cccn3)c3ccccc32)CC1=O 1855783751 JVVIVBZCVFTVRZ-KRWDZBQOSA-N 407.474 1.688 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C)nc2C(F)F)CCN1CCOc1ccc(C#N)cc1 1855956001 JTBJJRFBUUQPSQ-ZDUSSCGKSA-N 417.416 1.981 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1C[C@@H]1c1ccccn1 1855961971 YXOFTOPIYATHIU-DLBZAZTESA-N 424.482 1.835 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(Cl)cc3)CC2=O)ccn1 1856416960 NXDOHZZYLKAEQD-UHFFFAOYSA-N 418.862 1.421 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N(C(C)C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1856443377 SUJHHIXWKGNXMP-QZTJIDSGSA-N 403.504 1.505 30 10 HDEE COc1cccc2sc(N3CC(C(=O)N4CC[C@@H](N(C)CCC#N)C4=O)C3)nc12 1856542854 OOVWEYUKRUSGJG-CQSZACIVSA-N 413.503 1.714 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(COc3cccc(C#N)n3)CC2)CC1=O 1857107630 BUDWOBSOSORTMX-QGZVFWFLSA-N 400.479 1.456 30 10 HDEE CC(C)c1nccn1CC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857269221 BIXRPLVAVZDTOB-INIZCTEOSA-N 406.490 1.894 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)CC3CC(=O)C3)C2)CC1 1857397751 PPOULOHGLJTLLP-INIZCTEOSA-N 409.490 1.210 30 10 HDEE COC(=O)c1ccccc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858422261 PSRBENCPEDPESA-HNNXBMFYSA-N 413.455 1.994 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c(O)c1 1862741506 UHUNKRLBKVQBLD-DYZYQPBXSA-N 414.370 1.965 30 10 HDEE Cc1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1868135146 ODFKYERVSZWKTC-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CSc1nnnn1C 1870278871 PLRMLEYOALTWJN-UHFFFAOYSA-N 418.523 1.678 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cccc([N+](=O)[O-])c1 1874471227 VEBWUTIEDHOTER-YBFXNURJSA-N 406.468 1.876 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1981509840 SKEWJTCSVXIQMU-RYUDHWBXSA-N 413.334 1.432 30 10 HDEE C=C(Br)CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCOCC1 1982280728 ASOROIXBPCYIPV-UHFFFAOYSA-N 413.334 1.888 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(=NO)CC1 2046025444 JGKUXBCURDLNSU-UWBLVGDVSA-N 411.455 1.703 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)CO1 2174778999 DPSVWWIUKXJWBF-GJZGRUSLSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)CC1(C#N)CCOCC1 2174782694 TWMVGWSYOGICRL-UHFFFAOYSA-N 405.517 1.158 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2192473831 RIBHNRMSVDIDNG-HZPDHXFCSA-N 402.561 1.643 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2236960177 QKHCKBJPTDNANA-SEDUGSJDSA-N 402.513 1.680 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2243674131 FSDMMTSJKXBECK-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245266118 ICFSOMPNFYZWOD-CMDGGOBGSA-N 410.320 1.956 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 2247914753 QCDBPYRVSIHTSX-BETUJISGSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248064539 WRGUXKQDSSLUKG-STQMWFEESA-N 418.303 1.419 30 10 HDEE Cn1[nH]cnc1=NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703384 VMAKBZWOAXDYMX-UHFFFAOYSA-N 404.710 1.052 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267712551 FZHQUGFFNRVKMH-HNNXBMFYSA-N 407.388 1.440 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](CO)[C@H](N)C3)sc2Cl)OC1(C)C 2281969334 LHSVKRRMZZBSHC-CMPLNLGQSA-N 400.737 1.482 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cccc(C2OCCO2)c1 2282188776 AKSAVLGOAOVOQD-UHFFFAOYSA-N 400.244 1.412 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC(=O)N1 2282303972 DEVGHODDRSCIOW-VIFPVBQESA-N 420.749 1.210 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](C)[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315504 OVSUIJLLONOLCJ-YDBLSZJJSA-N 421.415 1.791 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)CC(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282316127 YAPPMCVGMBNRJO-UHFFFAOYSA-N 411.301 1.604 30 10 HDEE C[C@@H]1SCCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335317 NXOCXYIFDJXXON-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CC[C@@H](C)N1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282336999 CYZIULOSUZYQMC-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC[C@]1(O)CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342439 HOBRGLKPPXRJCO-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(C2CC2)C2COC2)OC1(C)C 2282489443 GQWXFDHAXFPGHC-UHFFFAOYSA-N 400.331 1.135 30 10 HDEE C[C@H]1CNCCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495243 JVOGSIXCKRQAQG-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC([S@](C)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282497603 SAIQBBGHOMFTPV-VWLOTQADSA-N 419.399 1.416 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC2(CN)CC2)OC1(C)C 2282506320 QNBLRZJDKGIRTB-UHFFFAOYSA-N 400.375 1.596 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C)[C@H](C)C1 2282829200 BDXYASRCLGAWFR-GFCCVEGCSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2CCNCC2)OC1(C)C 2282837422 USNYKYACHRLETK-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282850607 QZGQCQPEDLFGRA-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE CS[C@@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853773 IWQUZXLQQUPTCJ-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@@H]3CO)ccc2Cl)OC1(C)C 2282867025 SDNVCMXSCQFMIV-GFCCVEGCSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(F)(F)C[C@H]2CO)OC1(C)C 2282884083 JSGVQLDKNVPTSV-JTQLQIEISA-N 409.285 1.438 30 10 HDEE Cc1nc(C(=O)N=[S@](C)(=O)CCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284391806 OQDRMGGEFVMYQF-AREMUKBSSA-N 402.303 1.463 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@H]2C(=O)O)OC1(C)C 2284401879 KFMQBBIYFLKZAE-GFCCVEGCSA-N 401.677 1.487 30 10 HDEE CCC[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284410180 SECVRLPSLZXYJF-GFCCVEGCSA-N 403.331 1.921 30 10 HDEE CCC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411675 NGNARQDIRFHLDW-LBPRGKRZSA-N 403.331 1.720 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2290383210 ILHWQXCMBGGCMK-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE C=CCN1C(=O)C(=Cc2ccc(O[C@@H](C)C(=O)O)c(OCC)c2)C(=O)NC1=S 2294224268 VRGCLWPDBPBRMM-NSHDSACASA-N 404.444 1.750 30 10 HDEE N#C[C@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316862116 ZXHVZBGQQGKTME-HNNXBMFYSA-N 405.476 1.397 30 10 HDEE CC(=NO)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 2318775293 DQCHJWUTVZBKSO-UHFFFAOYSA-N 408.392 1.458 30 10 HDEE O=c1c(Cl)c(NN=Cc2cccc([N+](=O)[O-])c2)cnn1[C@@H]1CCS(=O)(=O)C1 2322614470 ICVYTLFZWFNJPS-GFCCVEGCSA-N 411.827 1.611 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cc(OC)c(O)c([N+](=O)[O-])c2)c1 2323374915 YUBBCPMCDROWQC-UHFFFAOYSA-N 411.392 1.639 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccccc1O)n2C[C@H](O)c1ccccc1 2327754000 LQXXIZHXQMDZKN-INIZCTEOSA-N 420.429 1.721 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2327904407 URDDGUYFLXHVMT-CYBMUJFWSA-N 419.507 1.770 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1CSCCN1C(=O)OC(C)(C)C 2342033275 OCBDAXSKXOMDIE-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1 2365203985 LIDKAXIMGYSFED-ARFHVFGLSA-N 402.557 1.578 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2365207856 ARFHFBHFBJEAFS-JKSUJKDBSA-N 401.573 1.342 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2365212949 RYZHYWPYCYLGBZ-HRCADAONSA-N 404.573 1.845 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2365213421 WRAWQNAJCIRSDO-IFXJQAMLSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2367787288 KJYHZVUPTJGVOP-CVEARBPZSA-N 400.541 1.427 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2367813455 DOSFTMKMJZTTFV-GJZGRUSLSA-N 402.557 1.552 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)O)C[C@@H](P(C)(C)=O)C1 2370207904 QEBZRNZQOISHSJ-MJBXVCDLSA-N 400.412 1.827 30 10 HDEE O=S(=O)(/N=C1\C=C2N(CCO)CCO[C@]2(O)c2ccccc21)c1ccc(F)cc1 1926201 XBSIFSAFRVJCRF-FCKILEINSA-N 418.446 1.371 30 10 HDEE Cc1cc(S[C@H](C)C(=O)OCC(=O)NC(N)=O)n2c(nc3ccccc32)c1C#N 21143574 PYDJGEWLWOTEBW-LLVKDONJSA-N 411.443 1.886 30 10 HDEE CCn1cc(C(=O)NCC#CCOc2ccccc2C(N)=O)c(=O)c2ccc(C)nc21 90743846 UWLJYBRPTNSKSL-UHFFFAOYSA-N 418.453 1.636 30 10 HDEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1cccc([N+](=O)[O-])c1 97037836 NJXDCNGQVLPQBF-UHFFFAOYSA-N 418.417 1.713 30 10 HDEE COCCN(CC(N)=NO)S(=O)(=O)c1cc(Cl)c(Br)s1 316996774 MQJPWTFTXBUGEI-UHFFFAOYSA-N 406.711 1.548 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1)n1cnc(C#N)n1 409603438 WDWLXDHHFPXNQW-SNVBAGLBSA-N 401.228 1.752 30 10 HDEE COc1cc(CN2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc(OC)c1OC 409766003 DHOHTJXQADQORX-AWEZNQCLSA-N 414.466 1.081 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 428608079 UQTLNFQTCIEHMN-UHFFFAOYSA-N 417.487 1.857 30 10 HDEE N#Cc1nc(NC(=O)c2n[nH]c3ccc(I)cc23)[nH]c1C#N 438967484 ORNPPFZQYDRXEO-UHFFFAOYSA-N 403.143 1.886 30 10 HDEE Cn1cc(-c2cc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)on2)cn1 469521111 VWWAUDFEDXZAKE-UHFFFAOYSA-N 412.475 1.453 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c(C#N)cn1CCOC 481338458 BTRSKCVCZXOSGI-CHWSQXEVSA-N 405.455 1.301 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1COc2ccccc2O1 484638866 LLDVFCLLZLOILF-ZBFHGGJFSA-N 415.471 1.571 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1C#N 489722636 QXCYRCRPJGCJHP-UHFFFAOYSA-N 417.466 1.346 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490042227 IGKKAZDQLWDGJQ-AWEZNQCLSA-N 407.473 1.199 30 10 HDEE C=CCc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc(OC)c1OC 496390391 RYZRZVXEYYHSJV-UHFFFAOYSA-N 417.506 1.049 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)cn2)CC1 500703088 IWWWYAIEPWXCIY-UHFFFAOYSA-N 417.510 1.854 30 10 HDEE COc1ccc(C#N)cc1CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506631674 ATEQKIXQYXUVDA-HXUWFJFHSA-N 422.533 1.922 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508466512 UZJHXNUDOOAIMT-SNVBAGLBSA-N 421.449 1.463 30 10 HDEE COc1ccnc(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)n1 513442571 IBUQDETXOKXXFK-QGZVFWFLSA-N 424.505 1.951 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 541668030 IJQPVTQOSVRQGO-QGZVFWFLSA-N 421.457 1.536 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)OC(C)(C)C1 549331202 DOHUVQIZJHGMAA-CABCVRRESA-N 413.544 1.191 30 10 HDEE COCCCn1nccc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549786348 ILRNCUPTEFVQJJ-UHFFFAOYSA-N 403.508 1.298 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 552372752 QWQMXRWOAORJSN-MRXNPFEDSA-N 409.508 1.656 30 10 HDEE C[C@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 558145862 KRGSOEWJQZPWJD-INIZCTEOSA-N 404.536 1.741 30 10 HDEE COc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CC3)c2)ccc1C#N 574610659 JNUJEBPQIKAIQV-UHFFFAOYSA-N 415.471 1.946 30 10 HDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(C#N)c(OC)c3)ccc2O1 580679834 RLGUGFFSQGCGER-IBGZPJMESA-N 416.455 1.912 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 581208935 ZOCCWWOOURBZQW-LSDHHAIUSA-N 421.441 1.900 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 585530793 OPKIYWPGEKGEHO-GOSISDBHSA-N 412.490 1.598 30 10 HDEE Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 609550523 DBWDEBZWBCUBMB-UHFFFAOYSA-N 413.503 1.520 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCNC(=O)[C@H]3c3ccccc3F)cc2C1=O 680126862 JUPWTYXSICWPNF-GOSISDBHSA-N 407.401 1.921 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(Cc2noc(C)n2)CC1 685549453 PHKQPNHNCQMWHR-UHFFFAOYSA-N 416.530 1.786 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccoc2)c1=O 727416897 SKLLNTZQLRYADS-UHFFFAOYSA-N 401.488 1.055 30 10 HDEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cocn1 729888113 HFLOVGORXOXYOX-OAHLLOKOSA-N 402.432 1.810 30 10 HDEE COc1cc(OC)c(OC)cc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732441442 FIMWBGFRDPISQY-ISLYRVAYSA-N 404.423 1.038 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 732453481 DSLOMONBXKAKEL-IWHJNQCMSA-N 401.442 1.478 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1C 732652164 PKEATJUDFKRZJX-SFHVURJKSA-N 404.536 1.838 30 10 HDEE C#CCCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 733247345 PUJVUPYRTPEIJV-UHFFFAOYSA-N 405.520 1.451 30 10 HDEE N#Cc1ccccc1NC(=S)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 737465670 RLHLKBSTIPSFCH-UHFFFAOYSA-N 409.519 1.704 30 10 HDEE COc1cccc(CN(C)C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 741340587 GEJDNQPRTBSFRD-VXPUYCOJSA-N 401.419 1.113 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)nc1 741448473 AICAHXPFFJOIFG-MRXNPFEDSA-N 417.535 1.503 30 10 HDEE COc1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc(NC(C)=O)c1OC 744007519 KUCSVBDUNFPXBA-UHFFFAOYSA-N 417.443 1.794 30 10 HDEE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CCN(c2ccccc2C#N)CC1 750049709 GBBPIXFJXGFBHQ-UHFFFAOYSA-N 402.476 1.814 30 10 HDEE CCOC(=O)[C@H](CC1CC1)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 752727205 VSTUIXWKEJOJFG-WFASDCNBSA-N 407.492 1.352 30 10 HDEE C[C@@]1(C#N)CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 753159557 DBBIXTKVQDTSRY-XLIONFOSSA-N 421.519 1.868 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCCC1 756910568 JRPKCYGIHBYUHZ-UHFFFAOYSA-N 407.511 1.536 30 10 HDEE CN(C)C[C@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 756933898 YBQUPQHHQKRYNZ-MRXNPFEDSA-N 406.552 1.838 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)cc1 757061570 WOVNEQGBEJKHJU-IRXDYDNUSA-N 404.474 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 759062821 AOUOIIWQRBKYRH-IAFNSTAXSA-N 406.483 1.666 30 10 HDEE CCCCS(=O)(=O)NCC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 760689126 AOTQRRVIFJXIFH-LLVKDONJSA-N 413.521 1.698 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)nc1 761016995 JTFVNCDDDMYMAH-GFCCVEGCSA-N 403.416 1.402 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCN1C1CC1 764505720 APVHAJICAWDGFL-WMLDXEAASA-N 405.861 1.966 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C[C@H](NC(C)=O)c1ccccc1 766986157 CCGJCHMLPZREIH-INIZCTEOSA-N 401.444 1.639 30 10 HDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)cc1 769104673 JCZGKUAIKAGPDU-SZFNYVLUSA-N 416.865 1.645 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 775880550 QTDTUGTUBZPFEJ-LZWOXQAQSA-N 412.446 1.554 30 10 HDEE COc1ccc([C@@H](CN2CCCC2)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 779541703 GCCGLKSLVOOIMW-UGNPLGLKSA-N 412.490 1.865 30 10 HDEE Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(C)c1 780210076 NGGKEZWSKBVNFO-OAQYLSRUSA-N 409.442 1.815 30 10 HDEE COc1ccc(CN(C(=O)[C@H](O)c2ccc(C#N)cc2)[C@H]2CCS(=O)(=O)C2)cc1 780933961 DNOHCFGHFQQCFR-AZUAARDMSA-N 414.483 1.816 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N(C)C(C)(C)C#N)CCCC1 786295062 UYRONPVTYOMQAN-UHFFFAOYSA-N 403.483 1.383 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800771658 GGHRPMYPCFODOG-GOSISDBHSA-N 402.466 1.283 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 805781822 DAMMAPFZZFEJMQ-OAQYLSRUSA-N 424.545 1.767 30 10 HDEE COc1ccc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc1OC 1084369822 SGUCIOPRMPSNPF-UHFFFAOYSA-N 419.511 1.134 30 10 HDEE C=C(Cl)CSC[C@@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 1088722491 YAITXAVVYGYPAK-LLVKDONJSA-N 418.349 1.503 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(F)cc1 1116382786 RNEMNTSZKXEBRP-ASBLKLPYSA-N 401.442 1.397 30 10 HDEE CN(C)CCOc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1136639632 UHVNPOQYHUQWRO-UHFFFAOYSA-N 419.478 1.993 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NC3CCN(S(N)(=O)=O)CC3)c2)c1 1149393631 SKGXTSVHPSVNGK-UHFFFAOYSA-N 414.487 1.535 30 10 HDEE CC(C)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)C(F)(F)F 1152630189 SAZKBYYVLWARRE-CQSZACIVSA-N 407.414 1.323 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CC(C)C2)CC1 1152968080 YFLBIFNDQGASCM-UHFFFAOYSA-N 409.939 1.620 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 1158063781 BJWHHCGVLPEWAA-CRAIPNDOSA-N 400.460 1.268 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)CC2)nc1 1160700396 NFMYISUXOFMLAF-QZTJIDSGSA-N 400.479 1.739 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1171499194 RAWCKTDHZADQIW-HZUJVAHNSA-N 404.511 1.459 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)n(-c2ccc(F)cc2)c1C 1175079494 LEJJEPJABYKPER-KRWDZBQOSA-N 413.453 1.620 30 10 HDEE Cn1c(=O)[nH]c(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(C#N)c1=O 1186043135 GXWZULPCOYLQAM-NSHDSACASA-N 407.352 1.177 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1198026573 GVHGUQQWLRCKPR-KRWDZBQOSA-N 407.474 1.896 30 10 HDEE C#CCCN(CC(F)(F)F)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1211446095 HMZMXDLDCBHWBJ-ZDUSSCGKSA-N 414.446 1.840 30 10 HDEE N#CCCN1CCN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CC1 1251699168 MLZVYUFQBXFNDE-UHFFFAOYSA-N 424.505 1.796 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1254564213 DIFHEKITTQGJLS-INIZCTEOSA-N 414.549 1.827 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1264831974 QRKOPHPXZNOHNA-NHCUHLMSSA-N 413.566 1.913 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286333844 CBZHZUWWQNWLTR-AVRDEDQJSA-N 415.538 1.933 30 10 HDEE C#CCN(c1nnc(CC)n1CC1CC2(CCOCC2)C1)[C@H]1CCS(=O)(=O)C1 1286391112 BVUANHODRNKMCC-KRWDZBQOSA-N 406.552 1.674 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1286391763 GEPSKCRVJXBZEO-CVEARBPZSA-N 404.492 1.440 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1286398760 OOIXJZHQUGHEKV-UHFFFAOYSA-N 410.522 1.380 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1286446024 CFCZLOSEPZZDPP-KBPBESRZSA-N 400.595 1.488 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2ccnc21 1286460791 JRCRYRGLRASKBG-QGZVFWFLSA-N 411.510 1.374 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H]2C)n1 1286472648 ZWCUKEPVLODFAK-JZXOWHBKSA-N 411.510 1.368 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(C)COCCO2)CC1 1286479984 YZVULDSSFOLMOL-HSZRJFAPSA-N 409.534 1.738 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1286504618 TWAFNXVEQFHMTI-UHFFFAOYSA-N 415.567 1.346 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COC)CC1 1286563224 VAGLRXOGHRVORX-QFBILLFUSA-N 414.510 1.549 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC 1286787819 JVTOZSXQYXQOCW-CQSZACIVSA-N 408.503 1.692 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286829481 DLKWVUZXBBTHEK-INIZCTEOSA-N 418.567 1.643 30 10 HDEE Cc1cnn(-c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c(N)cc2F)c1 1295048665 VKKNLFJRVJWACZ-CQSZACIVSA-N 420.452 1.915 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1298784934 UTZUVHGBEAZEBG-LJQANCHMSA-N 424.505 1.681 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300490691 BRKVKPKMGVIONM-NVXWUHKLSA-N 418.523 1.033 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1300530036 WBWRQXQPTFPZLO-NRFANRHFSA-N 410.547 1.554 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1cn2ccccc2n1 1300545247 MPKKSOPNPVRYCX-UHFFFAOYSA-N 401.474 1.364 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300673589 QWJTXILTNCBVTB-KRWDZBQOSA-N 422.576 1.841 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)SC)CC1 1300707687 HRXNQANJWYDGOO-HNNXBMFYSA-N 418.592 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2CCS(=O)(=O)CC2)CC1 1300712906 XUSABKFEPPLYBS-UHFFFAOYSA-N 421.567 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC)CC1 1300731105 BTTAQQFUQKGPQT-ROUUACIJSA-N 419.526 1.004 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301578483 BYGAIKJUCGEQCJ-HOCLYGCPSA-N 408.528 1.283 30 10 HDEE CC(C)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1302786266 DPVJXFCOSVIYBW-IEBWSBKVSA-N 424.505 1.869 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CCO1 1303005480 ZZIHLMCBWWZMEH-KBPBESRZSA-N 422.898 1.006 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1306486580 RAAFJJFSPSXNDU-PLNGDYQASA-N 424.505 1.990 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1307876170 ZTFGFQAXEURMNP-UZLBHIALSA-N 421.519 1.220 30 10 HDEE C=CCCC[C@H]1NC(=O)N(Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1=O 1345173838 OUDYVQHBVMWHJC-QGZVFWFLSA-N 420.535 1.399 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCSC2=Nc2ccccc2OC)C1=O 1350597604 BXYPSTZADCIDHJ-ZDUSSCGKSA-N 405.476 1.670 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(F)F)n(C)n2)c1 1357766994 KIYVTUHJELRQBC-UHFFFAOYSA-N 402.401 1.845 30 10 HDEE C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(C#N)cc1 1358241562 BAKOZTUPALBGAZ-CQSZACIVSA-N 420.512 1.868 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1358911679 ANDLFPNCMKVVPQ-QGZVFWFLSA-N 404.540 1.744 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1358960454 FDAQMIZFFYFLNV-GOSISDBHSA-N 415.519 1.560 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358960601 ICWFXOZGKAGQTR-IAGOWNOFSA-N 416.551 1.225 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1358999692 AEJFJKSVVKJMSK-INIZCTEOSA-N 411.572 1.945 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)N[C@H](C)CC)CC1 1359046660 AQTNIYGKRVJPDL-MRXNPFEDSA-N 414.554 1.501 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C)C1=O 1359074530 HKPACTPCOLJRBY-SNHGZMDHSA-N 401.511 1.473 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCN1CCCO 1360203347 DFRIRAVLYALWJU-GOSISDBHSA-N 417.558 1.393 30 10 HDEE CC(C)OCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1360380284 RSZVMKHDHUQRDB-CRAIPNDOSA-N 413.519 1.827 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1440418317 DERQTLOXRPBBOU-UHFFFAOYSA-N 409.537 1.032 30 10 HDEE C=CC1(CC(=O)N2CCCN(CC(=O)NCC)CC2)CN(C(=O)OC(C)(C)C)C1 1440786763 POXJGXXTQCYJCM-UHFFFAOYSA-N 408.543 1.470 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)COCCNC(=O)OC(C)(C)C 1442641411 XKERJMBOONZWPT-UHFFFAOYSA-N 404.511 1.990 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@H]1COCCO1 1452989115 GBMXUSBQNVGVGS-HOCLYGCPSA-N 409.508 1.014 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C 1453791925 XONUSLZIMPGDOC-JLTOFOAXSA-N 421.519 1.948 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2cccc(C#N)c2)c1 1454457551 MGIIUFWVIZOLNX-UHFFFAOYSA-N 401.488 1.798 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1460358970 GKYFOQNETVKYGV-INIZCTEOSA-N 406.527 1.403 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1460836497 NJJARZHCSSHWOK-JKSUJKDBSA-N 422.526 1.336 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)CN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)C2 1461961208 FFQQXUPXZZCSCW-UHFFFAOYSA-N 404.382 1.842 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)CC1 1464748035 HDYZUTVBFJOUBF-INIZCTEOSA-N 404.515 1.751 30 10 HDEE N#C[C@@H]1CN(C(=O)CCCCn2cnc3c(N)ncnc32)CCN1Cc1ccccc1 1465074068 HYKFFMVPCKUIHA-GOSISDBHSA-N 418.505 1.815 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CCN2C1=O 1465710493 KCJPRDHSMNZCMW-GOSISDBHSA-N 418.457 1.674 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cn2nc3n(c2=O)CCCC3)C1=O 1467661600 OIRXXOSHUZKOLI-IBGZPJMESA-N 406.487 1.083 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1467824453 ZBVWHRQFOBGONT-KBPBESRZSA-N 407.433 1.672 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 1470394486 NPWWCQDQHLTYQY-ZIFCJYIRSA-N 419.547 1.925 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1475378310 LOQMKYRQQOHVLV-ROUUACIJSA-N 422.503 1.520 30 10 HDEE CCCCN(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1500421973 AEURPHHHLVFYRP-NQIIRXRSSA-N 420.558 1.779 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1505322873 UNRSUFZQKXQEHE-RRFJBIMHSA-N 403.870 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1507522204 BMCKREGZPBRVHX-KRWDZBQOSA-N 410.522 1.576 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN2CCN(C)C(C)(C)C2)c1 1507549843 QLOJVJIVQQMRJI-UHFFFAOYSA-N 423.565 1.669 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507593847 VOASUESVTDQFBS-SFHVURJKSA-N 415.538 1.836 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1507616814 NYBFATKZVDUKDE-AWEZNQCLSA-N 408.911 1.982 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507636657 CJERQVXWINEOFK-SJORKVTESA-N 410.540 1.401 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(O)cc1 1507637391 PGBOTCSJKLITNU-UHFFFAOYSA-N 400.442 1.947 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCc1nc(C)no1 1507637814 UECFVNCXQRSENW-UHFFFAOYSA-N 404.434 1.322 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1507643135 IEELBJFJLPRRQH-SFHVURJKSA-N 418.295 1.270 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2COCCO2)CC1 1507731776 CQYXGLWFRBKLLZ-IBGZPJMESA-N 415.469 1.167 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1508089151 VXFBQPGIHQCJEQ-UHFFFAOYSA-N 411.466 1.438 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)C1=O 1517406290 MKBZMEZUXPEHSJ-RNODOKPDSA-N 416.432 1.354 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1519520933 BGERIDXFFFIXNC-CVEARBPZSA-N 411.528 1.116 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)O[C@H]2CCC[C@@H](C#N)C2)C1 1528079615 CNTUTAOSJDDLMF-BKEDOTJMSA-N 412.508 1.894 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)nn1 1529782149 PGMKQIGTJMWMRE-UHFFFAOYSA-N 405.480 1.900 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC[C@@]2(COC)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1532350478 ARHXLLPIIBRIHP-LEWJYISDSA-N 408.495 1.960 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CCOCC1 1532934748 SXLNSQLWDXTSHD-XWTMOSNGSA-N 406.548 1.828 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1 1537192232 JUDHBKRLZAQYGJ-JSGCOSHPSA-N 405.398 1.576 30 10 HDEE CCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1Cl 1538540064 PUIRSDSMDLUOEE-SGTLLEGYSA-N 419.894 1.493 30 10 HDEE N#C[C@]12CN(C(=O)c3nnn(-c4ccccc4)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1538765218 HASKDUDOJYMONU-APPDUMDISA-N 407.402 1.215 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1539185192 BOWRSYZJMDGBAZ-GOSISDBHSA-N 401.536 1.671 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539212737 XLZOPQDIXUJYBM-LJQANCHMSA-N 424.530 1.837 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCC(=O)NC2CC2)CC1 1539453223 GOOPHWFQMRWAPQ-UHFFFAOYSA-N 407.522 1.078 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539621872 UMFDZKLZFASCNW-MJGOQNOKSA-N 411.510 1.388 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539637331 PJBWWIZGKXCPIW-FVJLSDCUSA-N 410.522 1.912 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@@H]2C)CC1 1539875699 ZLUOXTVWRNHMIF-YZVOILCLSA-N 411.572 1.842 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1540870270 IXUHTKRZLMWSFL-UHFFFAOYSA-N 404.559 1.785 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCNC(=O)[C@H]1CC 1540900088 KPWMPQMIMDGXMV-QGZVFWFLSA-N 417.535 1.569 30 10 HDEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540911284 QJNLBGFTOCIRMR-CQSZACIVSA-N 422.942 1.864 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCO[C@@H]1C 1555559456 XCDACCMAWKRRGZ-BEFAXECRSA-N 405.524 1.837 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2cccnc2c1O 1557122858 KKCMRQXZXAASGJ-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1558751194 PNRMYSSIFAOADQ-WMZOPIPTSA-N 408.495 1.915 30 10 HDEE CC(C)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1 1558806321 LGHSSFZICNJSMQ-QWHCGFSZSA-N 413.400 1.303 30 10 HDEE CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@@H](O)c1cccc(C#N)c1 1559976213 NBPCGTCQUMBKLF-GOSISDBHSA-N 405.451 1.705 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2=O)cc1 1564547221 JEJHFYSSAHAVDQ-RBUKOAKNSA-N 412.490 1.939 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1c(F)cccc1F 1583811490 DZNMNHYQHWOMRC-MRXNPFEDSA-N 409.414 1.307 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC2(CCC2)C1 1585138570 JSTCVVVJLRWWMB-LIRRHRJNSA-N 423.535 1.611 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1587193555 CYBKAQITAOMNMY-CQSZACIVSA-N 400.410 1.672 30 10 HDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1587910318 JQRUKHVZAQIJGW-QHCPKHFHSA-N 403.486 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)CN(C)C 1588628681 MNQKXUJCORMATB-UHFFFAOYSA-N 416.526 1.680 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](F)COC)CC1 1588763333 UXPLTZGRRVSHNL-QGZVFWFLSA-N 417.485 1.702 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC=C)CC1 1588913614 ONWPEAZYZKAWNE-UHFFFAOYSA-N 424.480 1.352 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589069354 KDZGTJDVEGFTNE-CVEARBPZSA-N 404.540 1.095 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1593746350 BSHVJCPFIFHVHE-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1595550714 IDCXAVFSHOVUHP-UHFFFAOYSA-N 405.890 1.634 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C2 1595972550 PSKNZXPNCPCBKX-MRXNPFEDSA-N 417.512 1.538 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)cs1 1612399136 WPWIXNOMDLFIEN-IBGZPJMESA-N 401.540 1.440 30 10 HDEE COC(=O)[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]2CCCN21 1614671364 SXRFPUQFPXRZQZ-RTBURBONSA-N 400.328 1.807 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ncc(Br)cn3)CC2=O)cc1 1616649700 NVMSHJIFWXAGEK-LBPRGKRZSA-N 400.236 1.780 30 10 HDEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1618060438 AMAFGTRARVDEIF-UHFFFAOYSA-N 418.523 1.466 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1618636498 PLDFDYVSYPBFDD-DLBZAZTESA-N 407.478 1.058 30 10 HDEE COC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1619691457 CPRVFLJMGJHCKU-KGLIPLIRSA-N 422.511 1.264 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1scnc1C 1620025030 MTEVKBUQRMSQOP-LSDHHAIUSA-N 406.512 1.739 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1622248189 SGLZFSIBROWNLV-UHFFFAOYSA-N 422.438 1.870 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1624986211 HSOYYBAIGDKRAU-DYVFJYSZSA-N 413.478 1.849 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccnc1-n1cnc2ccccc21 1628054553 JMYVXYQEAQIPGQ-LSDHQDQOSA-N 416.441 1.953 30 10 HDEE CCN(CC)c1ccc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c(=O)oc2c1 1628386312 TTXCTFNBOQFKTR-XUTLUUPISA-N 424.457 1.895 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCc3nnc(S)n3C)n[nH]2)c1C 1628537213 PGVCNQWMCDQDIC-UHFFFAOYSA-N 400.512 1.856 30 10 HDEE COC(=O)[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1629240172 GHDWVOAXSXXGAI-LNWMTBOKSA-N 407.467 1.174 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1630138600 PNSNICODDHOOLB-IIBYNOLFSA-N 409.527 1.895 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1630573418 QLRWQMLEIXQKOI-HNNXBMFYSA-N 421.436 1.418 30 10 HDEE CC(=O)NCCN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1631020119 RUDKMSWTOCIKIX-GOSISDBHSA-N 400.479 1.987 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 1631390971 NJGYEPHPUQUDHD-NJZAAPMLSA-N 419.425 1.841 30 10 HDEE CS(=O)(=O)CC1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)COC1 1634205755 WIWJRECRZMZHOF-UHFFFAOYSA-N 405.476 1.269 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCc1cn(C2CC2)c(=O)nc1O 1636823986 OIROBPQWRREKHS-UHFFFAOYSA-N 419.235 1.613 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(OCCOC)nn3)n[nH]2)c1C 1637994301 OTCNOOZNMYYNPK-UHFFFAOYSA-N 411.466 1.821 30 10 HDEE CN1CCC2(CC1)CN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1638832116 XEMODYMRYKJYGK-INIZCTEOSA-N 416.909 1.888 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CCO)c1ccc(Cl)cc1)c1cc[nH]n1 1641789406 WHOBBCQXSWVVGH-CQSZACIVSA-N 408.842 1.587 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)c1 1642533001 OXXSXVZQYYDMHM-UHFFFAOYSA-N 415.519 1.550 30 10 HDEE C#CCN1CCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 1643203231 KHRYAZPITUUASR-UHFFFAOYSA-N 421.523 1.040 30 10 HDEE C=CCOc1ccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)cc1OC 1643300955 YMHDHAAMZTUXSP-UHFFFAOYSA-N 403.479 1.906 30 10 HDEE COC(=O)c1ccc(F)c2c1CN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)CC2 1647774700 MEJISIJFKCSQDN-HXUWFJFHSA-N 416.497 1.663 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCOC2=O)CC1 1647999052 XWVMVPIZSRPOIX-AWEZNQCLSA-N 420.491 1.058 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1OC 1648912490 XAPHBEFHEJEIKS-FSCCILSZSA-N 402.491 1.615 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC2(CCOCC2)O1 1652997003 ABXLWPVSHQLMCH-HNNXBMFYSA-N 421.519 1.350 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1653703603 MQAASCNDVYHLLF-CYBMUJFWSA-N 419.908 1.246 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)cn1 1659716759 RXZWKRQYUQVCBW-INIZCTEOSA-N 400.870 1.778 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@H](C)O1 1668654304 HKYSRVQFTYVYJN-KOLCDFICSA-N 407.261 1.884 30 10 HDEE COc1cc(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(F)cc1C#N 1679427891 DGVCGRIMQFEOLB-ZDUSSCGKSA-N 414.459 1.316 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 1680847707 BTKXCVNAQWHXSD-AEFFLSMTSA-N 408.499 1.257 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)O2)C1 1681435154 SQPDWHRCZVHRBH-HRCADAONSA-N 408.499 1.773 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)nn1 1682166975 IWIOKVOMCAQHOL-UHFFFAOYSA-N 400.483 1.509 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)OC2=O 1687665820 SRJVXJYJBNRUCP-VLIAUNLRSA-N 424.473 1.966 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOCC)c1 1689870188 DVPSHZGESMSLDQ-QGZVFWFLSA-N 410.478 1.322 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1689875522 UUFANVVCWYMSMR-IRXDYDNUSA-N 423.583 1.823 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989000 ADWXURFRNSZLDY-ZWKOTPCHSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1689989913 JPWARYKSDRROGB-INIZCTEOSA-N 409.556 1.020 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690015586 RJWHJEWABAGLDE-JKSUJKDBSA-N 414.510 1.557 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)CN2CCOCC2)CC1 1690119930 YNWFJDWCDSCRRA-HXUWFJFHSA-N 408.550 1.669 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1690180751 LEUBXTQKBIEYPL-UHFFFAOYSA-N 404.561 1.665 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2sccc2C1 1690661353 ZWJFKFLOQONESN-CQSZACIVSA-N 405.524 1.929 30 10 HDEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690683672 REKZPHLLMQOBJH-LJQANCHMSA-N 411.506 1.795 30 10 HDEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697969835 CIEDKBXKPCJPJH-KRWDZBQOSA-N 401.515 1.117 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[S@@](=O)C(C)(C)C 1698134373 JGSDXCKTVLXBTI-IXHIDIFNSA-N 415.535 1.991 30 10 HDEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705527669 GSDCFAVLRKAOEA-SFHVURJKSA-N 406.490 1.068 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCN(C)CCOC 1705557947 DVHOTNBFBKGGJE-KRWDZBQOSA-N 420.558 1.998 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1705564497 BFSSHAZIOORSJQ-INIZCTEOSA-N 417.535 1.595 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCCCCO)CC1 1705636263 DBWGOAFCNNCABC-UHFFFAOYSA-N 413.522 1.880 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1705764087 NKVLJMXAMHGFMU-NHCUHLMSSA-N 405.543 1.542 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705791697 BXVNGQSJFFLCBK-XHSDSOJGSA-N 421.567 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1705923894 PIUOPJCKPHTOAH-JVMRMLDLSA-N 414.510 1.784 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2([S@@](C)=O)CC2)C1 1705926950 OFXUZVZIVXNXMC-YMGMXPECSA-N 401.536 1.956 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1705946193 BJLGRTXJQMKOHK-HNNXBMFYSA-N 400.570 1.308 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(CC)c1 1710735873 ZOCIMCAGKYFUDZ-UHFFFAOYSA-N 421.509 1.673 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)C1CC1 1711044520 AHDGJVVKSZSFBB-UHFFFAOYSA-N 410.478 1.609 30 10 HDEE COc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1711780429 QNWMEXJDQQCWPM-UHFFFAOYSA-N 413.459 1.701 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1cn(C2COC2)nn1 1711967672 MXHPDBFIHSJSOO-OAHLLOKOSA-N 422.493 1.684 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1712167056 DPHLBZBZSKFXOQ-ZWKOTPCHSA-N 400.458 1.322 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722280021 DNSDRDJRNOKUFQ-AWEZNQCLSA-N 418.519 1.997 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722356670 RHINNAAAGQPGGQ-QGZVFWFLSA-N 417.535 1.251 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ncn(-c2ccccc2)n1 1722357147 RNQGFGOPKWPGIY-UHFFFAOYSA-N 401.478 1.838 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1722386400 XAWOZDOFIOLHGD-VQTJNVASSA-N 410.474 1.478 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOC[C@H]2CCCO2)CC1 1722438654 WZAFEIQNJNKNHF-GOSISDBHSA-N 411.510 1.076 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC=CCO2)CC1 1722442317 YJMNKWRHJHDZIG-NRFANRHFSA-N 407.518 2.000 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722461179 PDIBFGDYXMGPNR-UHFFFAOYSA-N 422.562 1.690 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1722498983 BYWOQYLTILNBPI-VLGSPTGOSA-N 415.498 1.345 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 1722508403 LHDFQHAUTGZEGH-LMMKCTJWSA-N 419.526 1.058 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCS(C)(=O)=O 1722509534 XRKUJRYFLZDRBK-SJORKVTESA-N 405.524 1.802 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCCOC)CC1 1722543566 QXMJYMUKFVXWRO-ZDUSSCGKSA-N 421.951 1.273 30 10 HDEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722601728 YXLFXBIBZAVVCP-GOSISDBHSA-N 419.489 1.320 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722685168 UEQILEVLTQWAFZ-LBPRGKRZSA-N 400.405 1.310 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1722692689 UYHFGSKWZNCVCB-UFYCRDLUSA-N 418.586 1.793 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1722850108 BYPZLPMSJOFITB-MOPGFXCFSA-N 421.505 1.590 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1730537749 XAVQSKAOJOOCPD-FQEVSTJZSA-N 413.482 1.827 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730571910 DLUPGIGQHUJYST-ZJYNUGOYSA-N 423.477 1.339 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1731142040 ZETDHBMBQQXSNR-FHLIZLRMSA-N 415.519 1.865 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC1=CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1735515440 FHRYOCVTZADOSU-XUFBONQXSA-N 401.507 1.156 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740558115 SRMLGUSGNOXJQF-RDJZCZTQSA-N 410.478 1.612 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740625325 NHXLUHQCHWCCTR-NVXWUHKLSA-N 419.576 1.642 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@H]1C(=C)C 1740678175 DJXVVEZFCYQYOK-ROUUACIJSA-N 401.511 1.581 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1740899019 CYZPZUCJGLQJHW-ROUUACIJSA-N 424.615 1.076 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](CC)C1 1740959482 WZMJOIJKPZBTNQ-CQSZACIVSA-N 423.477 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC)C1 1740992199 CLNBRYWTRIPUAC-SFHVURJKSA-N 419.551 1.870 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1746468365 PWEHRDMNMFYEGY-MOPGFXCFSA-N 403.575 1.938 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CC(OCC)C1 1748776356 GKSXBSNWDJMOST-UHFFFAOYSA-N 400.479 1.962 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748787773 HTRJBNGXBICTHN-KZNAEPCWSA-N 421.567 1.446 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN(C(C)=O)C1 1748799357 QBSKJFJNIWGJTM-INIZCTEOSA-N 414.535 1.598 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1748840460 BFGQTAZVUISZEZ-HSZRJFAPSA-N 415.501 1.270 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC1 1748990670 ZPGZTZOALFHRQS-LJQANCHMSA-N 411.506 1.971 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749028703 GZEQFTANBWVSRG-IBGZPJMESA-N 408.531 1.704 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1749066676 MQCWBEPDJQDXHI-DNVCBOLYSA-N 407.540 1.087 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749229715 ORIZCPWWKOTFLF-AEFFLSMTSA-N 418.542 1.805 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCOCC2)CCOC1 1750062186 VFJWGERFAFBQSW-OXQOHEQNSA-N 407.515 1.456 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1750069607 MDLSTMTZJJHPIA-YOEHRIQHSA-N 410.478 1.919 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCCO2)nnc1N1CCSCC1 1750419521 POKBMXKRLCZNFX-ZMMDAZFZSA-N 418.523 1.599 30 10 HDEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)s1 1751863672 COSNRLHYJJROFD-INIZCTEOSA-N 422.518 1.921 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1760163766 BANGDWZOAFAXPF-QGZVFWFLSA-N 414.510 1.351 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1760201695 IPMOWXIMZSUABX-HOTGVXAUSA-N 414.510 1.605 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1760253626 HOTRQFAERBKMTD-UHFFFAOYSA-N 409.538 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC=CCC2)CC1 1760269047 WKXLALUPRYINPK-FUHWJXTLSA-N 410.522 1.551 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760421325 LMPMRNPTJXPHQX-SFHVURJKSA-N 404.559 1.931 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1760438073 XNSSPQUDAKBQPR-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1760472921 HQVXCHOWYHBDTL-MSOLQXFVSA-N 402.543 1.741 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760523814 IIWRUXMIIHSGRD-QZTJIDSGSA-N 416.570 1.785 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)C1 1760539918 XTCSANJGNAEBGN-MRXNPFEDSA-N 400.439 1.723 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1761247458 ICLJASISAXWAJZ-UHFFFAOYSA-N 400.508 1.300 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)CC1 1765561780 FEPWJFXTYSNGDI-FQEVSTJZSA-N 415.586 1.940 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1766870007 DSVLEWWCZFKOAY-UHFFFAOYSA-N 412.494 1.740 30 10 HDEE CC[S@](=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768320245 ZPFBORFWMHXKTP-PMERELPUSA-N 423.502 1.644 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1769566116 BOMQFCWWTPWBSW-CQSZACIVSA-N 403.508 1.865 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1769588249 WHAMWWSHPJKSAZ-KBRIMQKVSA-N 413.434 1.878 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)CC1 1770741091 WBXPNKGKCCSAFL-SFHVURJKSA-N 416.526 1.840 30 10 HDEE COc1ccc(C=NN=C2NC(=O)[C@@H](CCOC(C)=O)S2)c(C(=O)O)c1OC 1772727585 SWUKYNHQDKOIJV-GFCCVEGCSA-N 409.420 1.277 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 1848715488 YCKVQRGMQLKATM-AWEZNQCLSA-N 411.487 1.591 30 10 HDEE COc1ccc(-n2nnc(C(=O)NCC#CCN3CCOCC3)c2C)cc1Cl 1850690475 BPQBUZCBFAWMPK-UHFFFAOYSA-N 403.870 1.303 30 10 HDEE Cc1c(C(=O)NCC#CCN(C)C)cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 1851103430 MMIXHUODOLLRNF-UHFFFAOYSA-N 405.462 1.798 30 10 HDEE Cc1nc(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c(C#N)c(C)c1Br 1852883318 YFKKTWSPHXVQEU-UHFFFAOYSA-N 422.327 1.569 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC(NS(=O)(=O)C4CC4)CC3)CC2)cc1 1853314346 VJBKXHWLSJLBJE-UHFFFAOYSA-N 416.547 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1853734907 MAMFQCCIJOPYLP-IAGOWNOFSA-N 404.511 1.997 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cn(C)nc2C(F)F)C1=O)[C@@H]1CCN(C)C1=O 1853828462 MNYAMJBRDOEJPQ-UONOGXRCSA-N 409.437 1.208 30 10 HDEE CN1C[C@@H](CN2CCC([C@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)CC1=O 1853849872 YSAJOURBTDSVFP-PXNSSMCTSA-N 408.502 1.737 30 10 HDEE COC1CCN(C2CN([C@H]3CCCN(C(=O)c4ccc(C)c(C#N)c4)C3=O)C2)CC1 1853868909 XMMQMMJJGWCDBZ-NRFANRHFSA-N 410.518 1.793 30 10 HDEE CC(C)N([C@H]1CCCCN(C(=O)c2cccc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1854096973 GMBRTBXSWQBXSQ-MOPGFXCFSA-N 417.531 1.977 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1854178309 SWNURUQSGVAWAJ-QZTJIDSGSA-N 401.507 1.784 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)CCc3c(C)nn(C)c3C)C2=O)CC1=O 1854861670 XACWKJUMIQPPBN-HKUYNNGSSA-N 415.538 1.063 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855015667 KGBBQRFGVSNKCZ-SJORKVTESA-N 416.547 1.547 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1=O 1855402043 LMFRUGPPGBWFSR-RHSMWYFYSA-N 404.492 1.340 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)ncn1 1856455932 CZDXLEHMTFBRKC-QGZVFWFLSA-N 406.446 1.373 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)C2)C1 1856831880 IGGQUGVWAKHGJX-KRWDZBQOSA-N 417.506 1.647 30 10 HDEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(CO)CC1 1870349492 PNNZAGNHXINWEH-KRWDZBQOSA-N 411.502 1.884 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N(CC)CCO)n1 1871657621 UBUWQOWJNXZCBO-UHFFFAOYSA-N 412.542 1.205 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1nc(C)c(C(=O)OC)s1 1872683811 GQEZATCRQPXZJT-UHFFFAOYSA-N 421.435 1.453 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3c(F)ccc(F)c3F)CC2)CC1 1890550749 GCOBCOFHJBPCRC-UHFFFAOYSA-N 409.452 1.976 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C#CCN(C)C 1891021986 YXMHTFDCMHSQGO-IAGOWNOFSA-N 408.524 1.001 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1891853078 ZUZBBYLNHKNZEE-HNNXBMFYSA-N 420.425 1.572 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CCC#N 2050610884 HBYWUJPMABMGAQ-GOSISDBHSA-N 406.439 1.470 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@@H]4OCCN(Cc5ccccc5)[C@H]4C3)nc2)OC1(C)C 2052552997 ARAOJDRYJCAIEM-PMACEKPBSA-N 422.338 1.865 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2060607771 XTVLFKCJUGDMFO-LLVKDONJSA-N 414.304 1.983 30 10 HDEE CO[C@@H]1COC[C@H]1N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2120780862 UPQYQEDGCGVQNR-ZIAGYGMSSA-N 413.121 1.993 30 10 HDEE O=C(N[C@@H]1CC[C@H](C(F)(F)F)N(CCS(=O)(=O)C(F)(F)F)C1)C(F)(F)F 2165187981 JFVYDASWIHTMTK-RNFRBKRXSA-N 424.285 1.995 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174778598 YWZXZCBKDGSSIJ-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC(O)CC2)CCN(C(=O)OC(C)(C)C)CC1 2174805692 YJOOHEPJUYEYTO-UHFFFAOYSA-N 403.545 1.623 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243685028 LZAFMONQFXFPSZ-CABCVRRESA-N 408.304 1.355 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247912461 HAAVTDORAIYTNR-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]3(C)CCNC3)cc2Cl)OC1(C)C 2267356525 MFMCWOYPPQLLQI-HNNXBMFYSA-N 406.766 1.731 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2282174182 OVCSOLLEBWNCSV-UHFFFAOYSA-N 409.285 1.805 30 10 HDEE CNC(=O)CCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304916 QVVNXUVWNTWNAR-UHFFFAOYSA-N 422.765 1.457 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CN[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314535 AWFIDDKQTLOVJG-QWHCGFSZSA-N 400.375 1.632 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282324652 SDWYFTRVZCEFJF-ZYHUDNBSSA-N 421.415 1.746 30 10 HDEE CCS[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282354275 OHSGKUWMARNENP-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CCCN(CCN)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282495611 OPLQCCVWTMSVNC-UHFFFAOYSA-N 402.753 1.999 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNCC1(C)C 2282831436 KFJCLVQEIOOSCS-CYBMUJFWSA-N 400.375 1.632 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282838879 VUHNJADMBHTTMU-SSINHNECSA-N 405.322 1.170 30 10 HDEE CC1([C@@H](CO)NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282847495 ZOHPJHNOFAQZMH-GFCCVEGCSA-N 402.347 1.023 30 10 HDEE CO[C@H]1COCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870156 NSCJDAYBVGQLEF-OLZOCXBDSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@](C)(CO)C2)OC1(C)C 2282881966 FMIFRTKYHNFGKN-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCCC(N)=O)OC1(C)C 2282882094 HDCOLNSIDARKFX-UHFFFAOYSA-N 402.347 1.122 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](C(=O)O)C2)OC1(C)C 2284406627 ANGXFASCVYAQIO-NSHDSACASA-N 401.315 1.533 30 10 HDEE COC[C@@]1(C)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284698065 WDTMYPJFTIVWOX-CXAGYDPISA-N 401.359 1.892 30 10 HDEE C=CC[C@H](N)[C@@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314268122 VHDUTBKDFRFDML-IRXDYDNUSA-N 405.520 1.616 30 10 HDEE CN(C)c1ncc(C=Nn2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)cn1 2321658133 MTNFKYGLGAXGGK-UHFFFAOYSA-N 412.435 1.164 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2cccc([N+](=O)[O-])c2)cc1 2325715976 QXNLJHCQSMNLLB-UHFFFAOYSA-N 403.416 1.183 30 10 HDEE C#CC1(N(C)C)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338819717 GFLFYCXISROSKV-UHFFFAOYSA-N 417.531 1.422 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2365211863 PJJFOAMIQZMMFU-MMMWYMCRSA-N 400.541 1.473 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367787161 KPVVKMXJZYNOCX-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788496 PRCUGAVUEJIIFH-UONOGXRCSA-N 401.481 1.436 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805443 BMBDDRRPYUXHEP-UGUYLWEFSA-N 400.541 1.291 30 10 HDEE N#Cc1ccc(NC(=O)CN2CC[C@@]3(C2)NC(=O)N(Cc2ccc(F)cc2)C3=O)cc1 19442 ZJMBBHIQJONCCU-QFIPXVFZSA-N 421.432 1.832 30 10 HDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)cc1 102697070 HZJACASCSXONKA-GOBJLOIFSA-N 423.469 1.844 30 10 HDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCNCCO)cc1 136554183 POCNPRSCKYWLEO-LAFOYAEKSA-N 424.453 1.477 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(=O)OC(C)(C)C)C3)CC2)o1 426185277 XCOLBQCYAXZZTI-HNNXBMFYSA-N 403.483 1.167 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 429299832 GUSKWKJOUOMOLH-LAQRGFTBSA-N 400.479 1.924 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cc(C2(C)CCCC2)on1 434812820 FOAWNBPBCMGOPN-CQSZACIVSA-N 423.477 1.844 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 437927042 BPLRITGSOSCEPS-MHTWAQMVSA-N 412.534 1.866 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)C1=O 440250736 BQOQDABXKXRFCY-QGZVFWFLSA-N 411.462 1.280 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)n1 442094499 RWYPBKMJNMCXBL-CQSZACIVSA-N 419.894 1.662 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)CC1 463347295 AJVQLMXQLYFWDB-UHFFFAOYSA-N 400.504 1.879 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)c1ccccc1 465161280 AQOMLLJLECDLNC-OAHLLOKOSA-N 414.491 1.042 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C#N)c1ccc(Br)cc1 477202283 DORWXNJQJYTOIF-CQSZACIVSA-N 418.313 1.474 30 10 HDEE CC(=O)N(C)c1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482212596 NWSNTAMVIUYZGK-ZDUSSCGKSA-N 400.460 1.846 30 10 HDEE Cc1ncc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc1C#N 489102395 LSAVFSKROOIOKT-UHFFFAOYSA-N 403.483 1.501 30 10 HDEE Cc1nc([C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)no1 497540966 YPWKRCLYSADCCE-ZMZPIMSZSA-N 403.464 1.358 30 10 HDEE CC(C)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C(=O)CC#N)CC1 503646450 XUROBFHRAUPSGH-JNCPLXCYSA-N 414.550 1.928 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NCc1ccccc1 504033632 BRJGWTHVMIBGCS-UHFFFAOYSA-N 415.515 1.980 30 10 HDEE CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 506220896 CZGQHONTDZSSCS-MRXNPFEDSA-N 413.455 1.816 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 508633969 UQGINYRKRYGGQF-GOSISDBHSA-N 409.515 1.897 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 508863754 JMLMLBOKXKHLIZ-WMZOPIPTSA-N 418.542 1.121 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)c(C(F)(F)F)c1 510988528 ZMEAYPWVMOTVAW-UHFFFAOYSA-N 415.315 1.972 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 511179354 VQLZGYWGSPOLAE-UHFFFAOYSA-N 406.508 1.104 30 10 HDEE CCc1c(C(=O)N(CCC#N)Cc2cccnc2)cnc2c1c(=O)n(C)c(=O)n2C 513854225 LIWJJPYRKGUKGZ-UHFFFAOYSA-N 406.446 1.146 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 522535893 LZVXLLDMHVVUOS-SWLSCSKDSA-N 417.556 1.972 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nnc(CCC(=O)OC)s3)cc2C1=O 522883678 SPWOTTGVSRLUPN-UHFFFAOYSA-N 400.416 1.678 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 525470747 ZUOAHGNGPPSEGA-CQSZACIVSA-N 417.491 1.029 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](NS(C)(=O)=O)C3)c2C#N)C1 532978597 YHRUVIUAWKOYDE-OLZOCXBDSA-N 410.565 1.697 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 541522117 XZEKSAMXYNHHIL-LJQANCHMSA-N 404.474 1.980 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1=O 543976531 HBTJNOWBPDLHMY-AWEZNQCLSA-N 407.883 1.415 30 10 HDEE CN(C)C1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)Cc2ccccc2C1 546890715 WAHAIMAPRNWEOM-UHFFFAOYSA-N 404.518 1.884 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 549253058 MIYXGHLHLXMWDU-AWEZNQCLSA-N 423.518 1.325 30 10 HDEE C(#CCN[C@@H]1CCCC[C@@H]1N1CCOCC1)CN[C@H]1CCCC[C@H]1N1CCOCC1 551449229 UBOQNNWPCSZDIB-NVPYSNMXSA-N 418.626 1.456 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558586638 BNGLZGPOQROFAX-HZPDHXFCSA-N 405.524 1.366 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 611244101 ALNOXQIAZQHMAD-ZJPRYJDKSA-N 403.571 1.720 30 10 HDEE Cc1nc(=NC(=O)Cc2ccc(S(=O)(=O)N(C)C)cc2)n(-c2ccc(C#N)cc2)[nH]1 619517883 BUZKJPXXAAWORL-UHFFFAOYSA-N 424.486 1.301 30 10 HDEE C=CCOCCNC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 679494103 LGVULIQALRIYQK-UHFFFAOYSA-N 406.508 1.388 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1c(C(=O)N2CCOCC2)oc2ccccc12 679533354 NCJZZZODJBZPLB-UHFFFAOYSA-N 401.419 1.163 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)CC1 680517299 LRHDEGSLODMFNZ-UHFFFAOYSA-N 404.898 1.527 30 10 HDEE C=C(Br)CS(=O)(=O)NCC1(O)CCN(Cc2ccccc2)CC1 707748072 DLIPQFPAYBCKQP-UHFFFAOYSA-N 403.342 1.842 30 10 HDEE COc1nscc1S(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 714378073 LNLZEAMZJACAMT-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)N[C@@H](C#N)c3ccc(F)cc3)cnc21 727100279 MZMFADSDXDIXFO-NSHDSACASA-N 419.214 1.413 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC 729670607 XYBNPACSKKHBQW-UHFFFAOYSA-N 423.542 1.777 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 729833011 ZAJZMWCWQDJLES-OAQYLSRUSA-N 410.405 1.789 30 10 HDEE CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730144510 OCHNGKNDODPXNM-MRXNPFEDSA-N 419.551 1.585 30 10 HDEE N#CC(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1CCN1CCOCC1 746598501 UXIJRLCEHXOGFP-UHFFFAOYSA-N 406.467 1.015 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)cc1C#N 747498743 QLPGAZJSKVMOGD-UHFFFAOYSA-N 410.430 1.289 30 10 HDEE Cc1cc(NC(=O)COC(=O)Cc2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 750433215 XDTCOMMCXRQTEQ-INIZCTEOSA-N 416.459 1.147 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 755131612 IQRJNVWLRRDILX-XLIONFOSSA-N 406.889 1.118 30 10 HDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 755661774 OKXBAVNKVCCRSC-UHFFFAOYSA-N 410.543 1.975 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)CC2)n1 760621125 SGSLYDOGFBGJQI-UHFFFAOYSA-N 402.867 1.765 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCN1C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C1=O 761269282 AJSOVMXKGYGALX-RHRUAYILSA-N 408.458 1.943 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccc2c(c1)OCCO2 766325038 CVQYXSMTEFYIDL-ZDUSSCGKSA-N 402.428 1.740 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767872014 LJBYXJMMRLXRKZ-STQMWFEESA-N 403.529 1.664 30 10 HDEE C#CC[C@@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 771595260 LINNJZBNKKUCRG-QGZVFWFLSA-N 403.416 1.966 30 10 HDEE N#CC1(COC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 775846298 SHCYDYJEZLCALT-UHFFFAOYSA-N 415.265 1.649 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)NS(=O)(=O)CC3(C#N)CCCC3)c2C)cc1 779318870 XCDNAPUDLWADFX-UHFFFAOYSA-N 401.492 1.957 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 780938304 HWPYOPOQTWNQPF-CQSZACIVSA-N 405.398 1.269 30 10 HDEE N#C[C@@H](C(=O)CSCC(=O)N1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058571 GHGWBIVHOMPMCA-INIZCTEOSA-N 418.475 1.666 30 10 HDEE COc1nn(C)cc1NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 789042270 AUWNHVIUFCTAGV-QNGOZBTKSA-N 406.468 1.886 30 10 HDEE C[C@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCC2 790676370 GDDLHQKEWFPCAW-YUNKPMOVSA-N 415.471 1.592 30 10 HDEE Cc1ccc(S(=O)(=O)NN=Cc2cnnn2Cc2ccccc2)cc1[N+](=O)[O-] 792871590 ICGNEDVIYVCMQZ-UHFFFAOYSA-N 400.420 1.855 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796426337 UHSTUISGYAPGRA-XERREHJYSA-N 417.510 1.706 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(=O)N(C)C)CC1 802490662 PNBFPGJMUVVHRO-UHFFFAOYSA-N 412.494 1.680 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)CC1 802994867 FYFNCUDAZWGDFO-UHFFFAOYSA-N 405.476 1.922 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)n1 808358013 VMWYLSVALURZLD-YZGWKJHDSA-N 401.511 1.321 30 10 HDEE C#CCN(C(=O)N[C@H](C)CCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 813779413 GPXKSMBTIKUCPF-CVEARBPZSA-N 415.556 1.902 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)c1 816464447 FJZCSEVYIMMPPU-HNNXBMFYSA-N 404.423 1.392 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nc1 858077326 BJRIBEKGCQZMQJ-INIZCTEOSA-N 400.460 1.220 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(OC)cc1 916193542 GHGPRNVGGMMFPV-UHFFFAOYSA-N 417.490 1.713 30 10 HDEE C[C@@H](NC(=O)NCCNc1ccc(C#N)cn1)c1cccc(NS(C)(=O)=O)c1 918084921 YABSVPLHYPCXDK-CYBMUJFWSA-N 402.480 1.797 30 10 HDEE Cc1nc(SCC(=O)O[C@H](C)C(=O)N(C)CC(=O)NC2CC2)c(C#N)c(C)c1C 924287829 BOIOQBCFQIMMSH-CQSZACIVSA-N 418.519 1.639 30 10 HDEE C#CCN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CCN(C)CC1 1134262678 MJWPLDRWPPLCMM-UHFFFAOYSA-N 400.435 1.839 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1134274838 BQKJXMAGIXCCOE-KXBFYZLASA-N 422.528 1.413 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1=O 1134525427 CHIOKDBHWRVIML-UHFFFAOYSA-N 402.447 1.668 30 10 HDEE C#CCN(C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)[C@@H]1CCS(=O)(=O)C1 1136355525 ZHNDBNYTZGTFLI-OAHLLOKOSA-N 423.535 1.621 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2nc(-c3ccco3)c(C)s2)CC1 1136632570 CCZNLDUTAWBJJB-UHFFFAOYSA-N 400.504 1.538 30 10 HDEE CN1CCO[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1136704065 JSVVTYYICWGBSF-JKSUJKDBSA-N 421.295 1.015 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1141882975 FUEGGKINBBHOIQ-UHFFFAOYSA-N 410.496 1.475 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)[C@@H](O)c2ccc(C#N)cc2)C1 1146569763 HGGZDARYHHUWBN-OXJNMPFZSA-N 400.435 1.235 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)CNc1ccc(C#N)cc1 1147633508 RGPQQNYWIZPGQH-FQEVSTJZSA-N 404.467 1.085 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)c(=O)nc1O 1148392759 HIBIWMXPSJPQQC-NWANDNLSSA-N 415.247 1.285 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)c1ccc(C(C)(C)C)cc1)c1cc[nH]n1 1149935502 NUJXUGPDMJSJGA-KRWDZBQOSA-N 416.478 1.841 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 1151151625 PRAYZQRZFIQVSV-ZIAGYGMSSA-N 405.499 1.782 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCOCC1 1155806531 NHROWEQELURSDA-QGZVFWFLSA-N 406.504 1.446 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 1162059265 FNCWNVOEGMUXDC-UONOGXRCSA-N 403.907 1.586 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1162831531 SLINJSQJYMWYRP-MRXNPFEDSA-N 416.503 1.697 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@H]1C(=O)OC 1178544289 YYCJGFRFOUPCIQ-SNPRPXQTSA-N 407.492 1.352 30 10 HDEE C#CC1(O)CN(C(=O)c2ccccc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1179982151 DTBOVUGFWHJAPP-UHFFFAOYSA-N 410.451 1.966 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1187461583 ZQFQRYGIQSTROT-OALUTQOASA-N 404.488 1.311 30 10 HDEE C#CCN(C(=O)c1snnc1C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1286045782 LTTWHACYABHPQM-ALYAQQCSSA-N 400.504 1.336 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1286297010 ACTGXTXJMDNQKT-DAYGRLMNSA-N 402.520 1.740 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1OC 1286358480 HJHAWFXYXHEKAT-UHFFFAOYSA-N 415.494 1.754 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1286393764 RXDVSSUPRPMOFE-INIZCTEOSA-N 405.549 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1286422389 LWDQKWMGBPMRFL-VGSWGCGISA-N 413.522 1.308 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccnc2OCC)CC1 1286470756 CNRAZYAFSHILOS-UHFFFAOYSA-N 423.521 1.111 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCO2)CC1 1286494403 NSQOEGOFESMYHY-FQEVSTJZSA-N 422.533 1.799 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1286726839 JDUGMKQBQSGKIZ-ZNMIVQPWSA-N 401.508 1.371 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286785591 OQFZXTOEMWZLMU-OAQYLSRUSA-N 414.510 1.360 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1286790591 GUMKUMJFIORRIE-MRXNPFEDSA-N 402.543 1.618 30 10 HDEE CCn1nc(C)c(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1C 1287544211 ZRRFVPRHCBOMTR-UHFFFAOYSA-N 403.508 1.984 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C3CCN(C)CC3)CC2)c1 1292417581 YXAWMTHUUIZOIA-UHFFFAOYSA-N 417.575 1.772 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1294844741 CTPGZZCELOIYTM-OAHLLOKOSA-N 422.497 1.575 30 10 HDEE COc1cc(Br)ccc1[C@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1296473061 XJAOTPYQJZCVMH-VIFPVBQESA-N 407.224 1.469 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1300313128 BLYCXOCHNCPHLN-MRXNPFEDSA-N 424.530 1.678 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300403344 ICDLVRVYOLFZMT-SFHVURJKSA-N 424.553 1.225 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300493184 RZONGEWEGLJKMH-CYBMUJFWSA-N 422.461 1.558 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC=C 1300522915 PUFHVXGVZGPTIL-UHFFFAOYSA-N 412.471 1.347 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1300630933 JWYHDFYGARNLPL-JYJNAYRXSA-N 413.519 1.209 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(F)cccc1F 1300666084 SQQISRHWUXUIBH-QGZVFWFLSA-N 403.433 1.836 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCC(C)(C)O)CC1 1300709883 JJZIHTLHISBPKQ-UHFFFAOYSA-N 413.522 1.782 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)CC=C 1300788935 REIOPNDKLZQSEY-WOJBJXKFSA-N 422.551 1.523 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301196761 JHUKMZIFVDHDFA-JKSUJKDBSA-N 424.571 1.446 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1301458594 CSEKQEPMMHELAE-UONOGXRCSA-N 409.537 1.709 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1nc(CCOC)no1 1301462985 HEKDYZIXXVOAIA-UHFFFAOYSA-N 408.466 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(ccnc2N(C)C)C1 1301491793 ZBQZHRVYAVWFLN-UHFFFAOYSA-N 421.509 1.005 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1302465913 HBJQNSDNJGSBMO-ZWKOTPCHSA-N 415.519 1.724 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2Cc3cnccc3NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1303213062 FRYHFWZBVCVHTL-GOSISDBHSA-N 407.279 1.982 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1305222273 JVXZVSNHTCEBOE-MAUKXSAKSA-N 414.535 1.534 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nn(C)cc2Br)c1 1309515371 JYQPTMPZUZWJJW-UHFFFAOYSA-N 413.297 1.577 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C[C@H]2CCCO2)C(=O)OCC)c1 1309845439 RETVUECNUZQZBE-NVXWUHKLSA-N 410.492 1.382 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1314823333 JDCDDADQYLWYEO-UHFFFAOYSA-N 404.421 1.767 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314946682 RMORTUKATBFDJH-UHFFFAOYSA-N 409.494 1.538 30 10 HDEE CN1CC[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H](c2cnn(C)c2)C1 1346702225 JSGZOVJIOUKSNS-UXHICEINSA-N 407.522 1.507 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnn(-c2ccccc2)c1 1358977430 MHCZQGQWJQKHRU-HXUWFJFHSA-N 413.485 1.730 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1359007579 NTDROXNCWLRAAX-OAHLLOKOSA-N 400.483 1.186 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1359010737 XZYALHQPLITRKI-MRXNPFEDSA-N 423.564 1.375 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1359039547 NCRQRIVWTCBNFA-LJAQVGFWSA-N 415.563 1.497 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1359107735 UGFXVOOCLYLWRG-CHWSQXEVSA-N 407.487 1.715 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1)C1CC1 1359246984 PTJCXFMIJSFXDZ-ZDUSSCGKSA-N 421.523 1.806 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359296313 FHULGBMLMUTIFX-AOMKIAJQSA-N 422.489 1.503 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCN(C)C2)C1 1359311907 KTIURMJNYMRZOD-LAUBAEHRSA-N 420.558 1.044 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@](C)=O)CCC2)C1 1359319488 AFWDETVHTAQCIV-TXUMCGTDSA-N 407.540 1.312 30 10 HDEE Cc1nc(=NC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(C#N)cc2)[nH]1 1435278152 NYVXKBRBSADYIC-UITAMQMPSA-N 400.398 1.852 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1440925090 ZSGZCDLAFJWFNT-UHFFFAOYSA-N 420.878 1.767 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446445871 WPUUVZFYYZBKRU-XWIAVFTESA-N 409.483 1.447 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CO1 1456676551 SMGUZXDDNSUHBK-LSDHHAIUSA-N 400.435 1.578 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1463401538 YEFBBEYCWHLKKW-UHFFFAOYSA-N 402.372 1.493 30 10 HDEE C[C@]1(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCS1(=O)=O 1463634887 AIOYWBNJMVPSPL-GOSISDBHSA-N 404.448 1.422 30 10 HDEE COc1cccc(Oc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cn2)c1 1464264652 BCHJBNKQIUFZPU-UHFFFAOYSA-N 421.413 1.723 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)c(C(N)=O)c1C 1464956805 OVCWLUCRRXQCFR-UHFFFAOYSA-N 403.446 1.508 30 10 HDEE CN(Cc1noc(C2CC2)n1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1468979038 MVESNTWXGFGUSH-OAHLLOKOSA-N 408.418 1.682 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1493417928 DILKLTDTCUMULE-IHCANNCPSA-N 414.510 1.933 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502347048 SVKZUHWTRMQIHW-DBXWQHBBSA-N 419.549 1.845 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1503633739 JHQSVXUKVIJCEK-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507516216 JVHAIATZGALRDN-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1507518405 LPNAYLSWESGQEK-GCJKJVERSA-N 419.570 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1507536740 DUMUQKTXETWZTE-DOTOQJQBSA-N 404.540 1.542 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1507574322 NXRIQTKMPYOMEC-KNQAVFIVSA-N 412.538 1.910 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507596906 QTMNKIGRQRNZRA-LJQANCHMSA-N 408.506 1.969 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1507602879 QHNACGSEBWBJIB-OAHLLOKOSA-N 421.498 1.662 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1507618960 SPPZENXFLUNIGS-UHFFFAOYSA-N 408.506 1.645 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1507634509 NWEUKKVVTXAXON-MRXNPFEDSA-N 423.583 1.408 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1nccc(C(F)(F)F)n1 1507648865 UCTNMDDMSOADJL-UHFFFAOYSA-N 412.379 1.859 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2ccc(C)n(C)c2=O)n1 1507717533 VTLPSVMVBZJCKR-UHFFFAOYSA-N 423.521 1.379 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)CC1 1507902719 GGOBXWFPPDHBIL-GOSISDBHSA-N 400.527 1.890 30 10 HDEE CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1514817124 DSGICSWFYWSRHF-CABCVRRESA-N 406.487 1.725 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1517508154 ZUDNWUSWDDBUJF-CABCVRRESA-N 416.482 1.477 30 10 HDEE COC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1)OC 1518726579 DFLOBZZXPNAVLE-NQYLQCIDSA-N 417.441 1.894 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1519103409 VKUPMIUMMFTLDC-ZWKOTPCHSA-N 401.467 1.351 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1519295963 FPFFKBWRHXBUFG-DXNFXHBHSA-N 418.498 1.517 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1 1527273976 KTULUDOLBRSMCL-ZAHQYNLSSA-N 422.507 1.251 30 10 HDEE Cc1c(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cnn1CCC#N 1528855366 PDNXOIAUGUWYQW-UHFFFAOYSA-N 403.508 1.863 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cn(CCCNC(=O)OC(C)(C)C)nn1)C(=O)OCC 1537003695 KAFCHHKEFRYGRD-CQSZACIVSA-N 409.487 1.821 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539109585 RHHNSOHZVAAVBC-HZPDHXFCSA-N 412.446 1.447 30 10 HDEE Cn1ccc(N2CCC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1539172939 RQSFLSACXWWCAB-CABCVRRESA-N 418.498 1.619 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1Cc1ccccc1 1539259846 IQFGPZCNCKYUNZ-LEWJYISDSA-N 416.529 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1539272867 FREMEGSSOINUIY-DENIHFKCSA-N 408.506 1.551 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(OC)C1CC1 1539323667 IJMLQAAJPICNNR-UZLBHIALSA-N 404.536 1.458 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1539991028 WOWHMFCQTWCNEH-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](COC)C1 1540868976 YFGVKYWSJPBTKK-HNNXBMFYSA-N 410.478 1.580 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1540871045 BYPPSGGGJUSZBB-JKSUJKDBSA-N 413.478 1.360 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)C)cs1 1542926129 QKYFENOXKMJPNU-HNNXBMFYSA-N 403.512 1.135 30 10 HDEE C#CCN(C(=O)C[C@H]1CC(=O)NC1=O)[C@H]1CCOc2ccc(Br)cc21 1543685736 MTKSFUSFPLQFNI-RISCZKNCSA-N 405.248 1.787 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)C(=O)N1CCOCC1 1545202296 VWGZWRUNDIZDGP-KGLIPLIRSA-N 403.907 1.776 30 10 HDEE CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H](C)CC#N 1554510575 DFSINUHFPCFVAC-OAHLLOKOSA-N 406.512 1.453 30 10 HDEE COCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1555725081 YPWQISMYARUHGP-KRWDZBQOSA-N 410.478 1.742 30 10 HDEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC[C@](C)(C#N)C1 1557620580 ZKHDBIGPOIDBPW-HXUWFJFHSA-N 415.519 1.831 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 1557718232 ITVNNMPBXRVOOS-LJQANCHMSA-N 411.487 1.691 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)c1 1558095475 OARSXKUIYBFSQN-OALUTQOASA-N 412.515 1.882 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1 1564119681 BBTQJEGAYKJPHK-UHFFFAOYSA-N 419.532 1.578 30 10 HDEE CN1CCN(C2CCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CC2)CC1 1564544284 GCLRNVGIRHIARK-UHFFFAOYSA-N 421.549 1.880 30 10 HDEE C=C(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1569368540 HCTDVCOINMHVHZ-UHFFFAOYSA-N 423.535 1.391 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)Cc1ccc(OCC#N)cc1 1584765730 PKDWRVMQSZDGHO-OAQYLSRUSA-N 419.478 1.246 30 10 HDEE N#C[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(OC(F)(F)F)cc1 1587308792 MTWWCGWVPYGQMD-ZDUSSCGKSA-N 406.324 1.552 30 10 HDEE N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1587330071 JRVWGXGVOFREBA-BHYGNILZSA-N 407.467 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587646167 UCGODZJJKXVBRN-JKSUJKDBSA-N 419.526 1.747 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587869138 KOWBNPGEKLBBOM-UHFFFAOYSA-N 423.521 1.252 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589366561 HHELPUPJUMKGTD-LBPRGKRZSA-N 412.313 1.872 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCN2CCCS2(=O)=O)CC1 1594226650 POUNOOWURCGBEZ-UHFFFAOYSA-N 404.540 1.722 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1595551359 PCFDJZFDHKMFNA-SFHVURJKSA-N 417.602 1.385 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CC)C[C@@H]1COc2ccccc2O1 1595760527 OSRJHWYJYSXOTK-MRXNPFEDSA-N 406.508 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(OC)C1 1595812062 LWGAOKGQQZFGAH-HXUWFJFHSA-N 419.551 1.870 30 10 HDEE C=CC1(CC(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)CN(C(=O)OC(C)(C)C)C1 1596315227 OBCQOUDNUMLULZ-MRXNPFEDSA-N 423.514 1.489 30 10 HDEE CC(C)=CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1597894676 YHXOVUPRLLXNOT-FUHWJXTLSA-N 418.567 1.713 30 10 HDEE CN(C)C1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2F)CC1 1614710538 NCTLZSYNWYBXGI-UHFFFAOYSA-N 414.441 1.129 30 10 HDEE N#C[C@]12CN(C(=O)CCCc3nc(-c4cccs4)no3)C[C@H]1CS(=O)(=O)C2 1618171921 SSVBFGZLUGJEJN-YVEFUNNKSA-N 406.489 1.518 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1618435817 CYEBRIUSEMNZJD-SFHVURJKSA-N 406.487 1.550 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619776016 YQHJQWZAOSWYAU-MDKPJZGXSA-N 418.542 1.136 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(O)cc1 1620110880 DNHPHAZJZKUVEX-WDSOQIARSA-N 413.478 1.679 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1620349794 STSLIFFMQMTVIL-RBUKOAKNSA-N 424.505 1.448 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)CC1 1620351509 CHQFTHXVJGYQJW-KRWDZBQOSA-N 402.499 1.450 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1622014683 MYQLHSCBIRWLHS-QGZVFWFLSA-N 414.549 1.863 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)c1 1622182499 YMGPSCXDQWEKLQ-MRXNPFEDSA-N 416.463 1.095 30 10 HDEE CN(C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1623582454 SSELJYPSDIBGSK-HNNXBMFYSA-N 411.480 1.259 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1626655697 JWJFDNGQSAGCHQ-VBHSOAQHSA-N 407.879 1.090 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C#N)CO)c1 1627542893 COGPCTGADKKQNT-SNVBAGLBSA-N 404.286 1.094 30 10 HDEE C#C[C@](C)(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1627871030 VLNZGXLSUXOLKT-HXUWFJFHSA-N 406.504 1.777 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1633988955 IVTGCGMLMVHKPZ-ATWJUZPFSA-N 404.467 1.513 30 10 HDEE C=C(CO)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1635114149 MWRNZXCCLRJHMK-OAHLLOKOSA-N 400.260 1.920 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)CC1 1636479718 DONPLWAJGUKMHQ-UHFFFAOYSA-N 404.536 1.292 30 10 HDEE C=CCC[C@H](NC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1636821906 JDMHDFCTEAXXKK-YWZLYKJASA-N 414.499 1.653 30 10 HDEE C#CC[C@@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1636838658 HDKPVYOGQKULJP-XHSDSOJGSA-N 414.531 1.836 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 1636976228 SEYUZZWDDFBXNI-CLTPODQCSA-N 410.517 1.262 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1637413894 CPTZWPYCNJNULH-HYVNUMGLSA-N 423.535 1.308 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1639240818 RKSHUDCMSFILTH-CVEARBPZSA-N 405.476 1.867 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCC1 1639354097 LGVAVEGBIKFPCN-CQSZACIVSA-N 406.464 1.806 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1639556088 HMVLZWGMIUFJAE-UHFFFAOYSA-N 412.515 1.909 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCN2CCCO)C1 1641261104 ABCQKPQZQBIJOO-QGZVFWFLSA-N 421.339 1.720 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1 1643584052 ZBNIIXNFMARGMJ-OAQYLSRUSA-N 408.389 1.922 30 10 HDEE CC1(C)OB(C2CCN(C(=O)c3cn(C[C@@H]4CNC(=O)O4)nn3)CC2)OC1(C)C 1643831683 ZBTQEFHSSGXICC-ZDUSSCGKSA-N 405.264 1.085 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 1647760914 IMPZSNLZYXUWFT-KRWDZBQOSA-N 419.522 1.200 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2C(=O)NC(C)(C)C2=O)CC1 1648052164 OCCVRLCBTPOYNX-UHFFFAOYSA-N 420.510 1.474 30 10 HDEE CON=Cc1ccc(C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1650948871 MEHZHBWJOVSIRP-UHFFFAOYSA-N 414.466 1.980 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(C)c1 1652136568 NXRPOFFGVZWGHS-UHFFFAOYSA-N 412.446 1.479 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(C3CCCCC3)cc2)CC1 1662588884 YRVDHXOJRXDJNL-UHFFFAOYSA-N 417.575 1.931 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2 1664904001 POEWVJMJSRQQDR-UHFFFAOYSA-N 404.488 1.488 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c(=O)nc1O 1665153876 GKUMPWRLARBXFN-UHFFFAOYSA-N 405.418 1.705 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OCC 1665221591 KVBUPJBRMWTELA-CYBMUJFWSA-N 403.428 1.797 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1 1670753508 SESLJJGOBAWNCL-UHFFFAOYSA-N 407.517 1.880 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1675524139 XNZRUPHPHSEDSF-WMZOPIPTSA-N 407.536 1.681 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)C1CCOCC1 1684188256 MBPJJGKBSGSJOT-FGTMMUONSA-N 409.527 1.986 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1684924195 PTGFJRULYMELLE-SJLPKXTDSA-N 418.515 1.891 30 10 HDEE CN(C)Cc1csc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1686054714 CELMCTLQDGDAMU-GXTWGEPZSA-N 408.528 1.763 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)nn1 1686286053 FVFZZPJVLGVSNN-UHFFFAOYSA-N 417.413 1.886 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CCCO1 1690013114 BWAXLPNPIIQFMZ-HSZRJFAPSA-N 416.485 1.834 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCSC1 1690093900 NPBYICOEZVKVQE-UXHICEINSA-N 424.567 1.273 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)nc1 1690099848 NJURCABWSYLODE-UHFFFAOYSA-N 421.505 1.639 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690101365 YIHUBJIMFIIMPH-QZTJIDSGSA-N 413.526 1.320 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@@H]2C)CC1 1690362466 DILOJSYNAMELHU-KRWDZBQOSA-N 411.510 1.803 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690463069 UPHSBPBMUPYDAT-DLBZAZTESA-N 416.526 1.413 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1690515940 XQIRUGDFIMCECB-HNNXBMFYSA-N 415.523 1.745 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 1690660803 OPKQAGFDRMRPNI-UHFFFAOYSA-N 402.886 1.505 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1690673686 AGHVPCYLARWQGF-GOSISDBHSA-N 421.505 1.367 30 10 HDEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1692564701 LOBCVAXXXVPMSU-FQEVSTJZSA-N 413.482 1.660 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CC1=O 1698087763 IYTPSTXHSKSVOY-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE COCCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1698186467 MHNPWFNTUYPXIH-QGZVFWFLSA-N 421.461 1.537 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O 1698440985 YBTNJYXMCLTSSQ-KYJSFNMBSA-N 415.519 1.459 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(=O)NC)CC1 1705534642 NEVNWIVOHPZJDG-GOSISDBHSA-N 410.478 1.665 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCN1CCCS1(=O)=O 1705556762 GDOOTFADICEBME-UHFFFAOYSA-N 417.535 1.524 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2ccn(C)n2)CC1 1705636602 QPOVAUPIHOSQTJ-UHFFFAOYSA-N 405.506 1.685 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NCCC)CC1 1705637413 WJDXILUPINMSPY-UHFFFAOYSA-N 405.506 1.488 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1cccs1)C1CC1 1705907639 SOIODKYXNRTBIQ-UHFFFAOYSA-N 414.535 1.933 30 10 HDEE Cc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1707365570 OCXNAXOVPMWXPI-HTXNQAPBSA-N 412.450 1.600 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1711028191 NTTSTZNHGABPOG-MRXNPFEDSA-N 422.470 1.953 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C)C1=O 1712636962 FPPDVPRNSCRPQR-FIKGOQFSSA-N 416.526 1.610 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1722293737 NPWNWLHOXSXFKI-OAHLLOKOSA-N 421.505 1.830 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1722355477 JIYSQHFPNVDWSL-UHFFFAOYSA-N 407.478 1.754 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1722368867 WSRIXPCTFULEAB-CQSZACIVSA-N 422.580 1.566 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722384099 TVPJMVKGGSZGKS-INIZCTEOSA-N 415.494 1.149 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(C)CCCO2)CC1 1722447547 JMNQQGBMOAZEMU-GCJKJVERSA-N 415.538 1.707 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1722517121 HRYYSCWQRDYAHO-KRWDZBQOSA-N 423.583 1.889 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722523268 LGJTVKZHMMLPEP-INIZCTEOSA-N 417.514 1.600 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1723770992 CNFGWDAOPFZZJW-RDJZCZTQSA-N 404.515 1.801 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1723778407 ALEZLRLVFXLDEP-HNNXBMFYSA-N 403.512 1.038 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C1CCC1 1723783260 CSGQLCQECRTLME-HNNXBMFYSA-N 423.521 1.823 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)cc1OC 1730073032 OXWWIDZTOZGMTJ-FQEVSTJZSA-N 419.457 1.803 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1731018520 NGYCQKUXKKZROK-UHFFFAOYSA-N 409.903 1.283 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1740608693 DEIYTXYSCKKTSX-MSOLQXFVSA-N 402.520 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1740629768 YYPMZYBUMPYRTG-UHFFFAOYSA-N 410.522 1.378 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1740656491 KGFACUPGISCCAJ-IAGOWNOFSA-N 419.551 1.120 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1740803871 WDBVMZXZALVNGQ-QWHCGFSZSA-N 414.923 1.074 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740878050 GMFSUONZOWVXHW-UHFFFAOYSA-N 417.583 1.810 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1740948472 HBGIICCJMVTTHJ-UHFFFAOYSA-N 412.494 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)C1 1740953169 XRNAEDIRNSUOQH-ZDUSSCGKSA-N 418.885 1.310 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2CCCO)C1 1740975371 BKNYSFMUCWMSQV-RTBURBONSA-N 414.554 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740990128 JKJNVQMEGLCHQM-KXBFYZLASA-N 421.523 1.258 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)C1 1741983422 KBWFRUWGOCVVBH-DNVCBOLYSA-N 422.555 1.574 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)C1 1741985486 YOZDRLDVVOJSNS-LLGFUMIMSA-N 416.526 1.945 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)(F)F)n1 1742714405 VFMZEYBUIDITKG-CQSZACIVSA-N 413.404 1.795 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1747607827 QNLAXIFBUOCJHS-MRXNPFEDSA-N 410.544 1.194 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1748700164 YOVFCSWNPRJQRL-CQSZACIVSA-N 418.523 1.355 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCN1CC 1748824894 LXLZNTMZMYNQEV-SFHVURJKSA-N 405.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(OC)CCOC1 1748887549 DAZOUQYRULWMOL-OAQYLSRUSA-N 411.462 1.274 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1748906128 PBLAZFCKILOJLH-SJLPKXTDSA-N 424.615 1.858 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1748906823 YQDKHUVGRXORRW-CYBMUJFWSA-N 410.569 1.609 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1748922463 AKFNQUPDMMWNJS-UHFFFAOYSA-N 421.505 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)CN2CCOCC2)CC1 1748984237 NSPOKUKSGOKXEB-IBGZPJMESA-N 411.554 1.007 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749032841 RMBIEMBOTWEDFS-GOSISDBHSA-N 417.583 1.592 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749174685 YIWILYWIXGYGHQ-GDBMZVCRSA-N 420.514 1.345 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1749232159 DYMZPYPXPGGVHU-UHFFFAOYSA-N 400.483 1.745 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1749427696 SIXNLDGKXTZNKD-MRXNPFEDSA-N 410.540 1.532 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCO[C@H]1C 1749566278 YSKPNEZMPDBSOQ-HRAATJIYSA-N 422.493 1.639 30 10 HDEE C=CCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749643140 IZAWVLKAOLRORB-DENIHFKCSA-N 418.586 1.721 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 1749719475 WDYBCWYCFNYFLN-RXVVDRJESA-N 418.469 1.929 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1750344095 DVJDTQOODCJYCY-RXTOWQKUSA-N 404.446 1.103 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CCOCC(F)F)cc1 1750383705 ZAVNCWZEEQIEFE-OAHLLOKOSA-N 418.404 1.739 30 10 HDEE CC1(C)CCCN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)C1 1751289702 GPTBHXKUKUQIHZ-NRFANRHFSA-N 417.533 1.964 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760183585 SBQRWQGPUJDIGI-MRXNPFEDSA-N 404.540 1.179 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760185005 NORSTOBPQZAQNG-LJQANCHMSA-N 424.530 1.859 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1760206128 RHPQYSIMHBZXTA-WOJBJXKFSA-N 423.517 1.830 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1760233318 KMKAYMQKUSSPHV-INIZCTEOSA-N 409.556 1.673 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCO2)CC1 1760268802 PKMXLKLJTZYPLM-KRWDZBQOSA-N 409.494 1.270 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760304892 KTEYJFFMJHNCFA-QGZVFWFLSA-N 403.284 1.965 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)CC1 1760382254 MMDDYCSEHCYCDY-CQSZACIVSA-N 406.512 1.497 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760460434 GDCJKWRRYZCWPT-UHFFFAOYSA-N 415.523 1.599 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1760464365 GIJJONFDWAIJPE-AWEZNQCLSA-N 401.533 1.048 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NC)c1 1760496648 BFXDNRVBWMCPMM-UHFFFAOYSA-N 408.506 1.987 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCCC2)C1 1760541456 CDXQFQXLCJEIFG-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE CC(=O)N1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CC2)CC1 1760624310 HVKGPGOHTYVIEB-UHFFFAOYSA-N 423.521 1.491 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@H]1COCCO1 1763102898 SYLDMRGAKGQVJY-KRWDZBQOSA-N 414.485 1.983 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCOC(F)F 1767421274 MYYZOKKTLQHFLO-UHFFFAOYSA-N 413.450 1.927 30 10 HDEE COC(=O)N1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1769463240 GGPHBEANZNNTKG-BEFAXECRSA-N 406.462 1.702 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)F)CCN1C1CC1 1771536144 KGTXZBKBEVQZGP-HNNXBMFYSA-N 423.468 1.320 30 10 HDEE N#Cc1ccc(OCCO[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848606785 GUNSPOGTVCZRMK-RTWAWAEBSA-N 405.454 1.966 30 10 HDEE COc1cccc(CC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1OC 1851249402 DWQQSNTXXBSYFD-UHFFFAOYSA-N 420.473 1.775 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCOCC2)c2cnccn2)c(C)c1 1853528382 PDNFFFPIRWZJSH-UHFFFAOYSA-N 419.507 1.082 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)C2c3ccccc3Oc3ccccc32)CO1 1854064522 VASHZFKQULRTOC-CYBMUJFWSA-N 400.412 1.937 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)[C@@H]1C 1854311950 JVPUZXAPRPHZEQ-AWEZNQCLSA-N 411.549 1.394 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)C4CC=CC4)C3=O)CC2)CC1 1854370796 OEUMVTINERKQDF-FQEVSTJZSA-N 412.534 1.944 30 10 HDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854402114 YEWRNIDDLDZCDE-UHFFFAOYSA-N 419.503 1.465 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)C(=O)C1 1854474767 WPDSXXROZXTGCN-UHFFFAOYSA-N 411.439 1.448 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642461 QJIHCOWJQHSGLC-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3csc(C4CC4)n3)[C@H](C)C2=O)CC1=O 1855802674 FMAPIRLOBSQORF-UKRRQHHQSA-N 402.520 1.614 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2=O)cc1 1856004024 RKRAHSVIJLLLAR-UHFFFAOYSA-N 421.848 1.672 30 10 HDEE CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1856013560 WBLDWLUPECWGAO-JOCHJYFZSA-N 404.470 1.601 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C1=O 1856042132 ZTZAUCGMXFQFKE-JKSUJKDBSA-N 402.520 1.547 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1=O 1856146341 LTVBFFJYPBSHIZ-UHFFFAOYSA-N 417.418 1.891 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 1856235318 GAZHTXAZORJWQZ-CVEARBPZSA-N 402.520 1.323 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4cnccn4)C3=O)CC2)n1 1856974117 BHPFVNCTHUOUCO-GOSISDBHSA-N 406.446 1.275 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(C)c(C)c2)C1)[C@@H]1CCN(C)C1=O 1857317230 WSCPNJYEYUEBBK-AZUAARDMSA-N 413.518 1.776 30 10 HDEE CN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCc1cnc[nH]1 1870349501 QANWPXSTLAVZES-UHFFFAOYSA-N 407.474 1.689 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)CC1 1889338349 ZCEWAGHWIVSXNM-NRFANRHFSA-N 411.546 1.496 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC#CBr)[C@@H]2CS(=O)(=O)C[C@H]21 1982250187 OQNATYANWNJQCL-CHWSQXEVSA-N 407.330 1.451 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 1982305542 WLRUKBPGAZDAOQ-GFCCVEGCSA-N 412.350 1.366 30 10 HDEE C#CCn1ncc(NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2060809589 MPBMXHWJZVUDNY-INIZCTEOSA-N 415.288 1.327 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)N1CC[C@H](C#N)C1 2118154646 JYPPXARJQJFSFL-SHZVTRLKSA-N 408.546 1.479 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3cccc(C#N)c3)C2)C1 2182735085 CPFKJYUZOVTHQS-UHFFFAOYSA-N 411.505 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 2183270676 IOCQOCYGGXZFMP-UONOGXRCSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@](C)(CN)C[C@H]2CCCS2(=O)=O)[C@H](C#N)C1 2194924775 JAXJRVMDTSZMGM-RKVPGOIHSA-N 400.545 1.116 30 10 HDEE C[C@@H](CN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243402820 NMYZYZMUALBZHT-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857844 YVWMNXANZYAKMH-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)n1 2247915308 ZEWFASNMICPEHX-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C)C(=O)OC(C)(C)C)n1 2247916681 CEKWDAWZRCSRTO-UHFFFAOYSA-N 422.335 1.799 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@@H]4CCO[C@@H]43)cc2Cl)OC1(C)C 2267355690 HYISSTKSSCOAPL-AXTRIDKLSA-N 405.734 1.766 30 10 HDEE COC[C@]1(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCNC1 2282057812 LMJTYBRRCDIORV-KRWDZBQOSA-N 400.737 1.809 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)C[C@@H](C)C1 2282320298 GJTCNJIKHYJPBJ-YPMHNXCESA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@](C)(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282321989 DUSCVJLOUHXODJ-QGZVFWFLSA-N 401.359 1.749 30 10 HDEE CS[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335554 QXDLXXWAZXQFIF-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@@H]1CC[C@@H](CO)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282494055 WSBOFIMAANCQEP-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282497600 RYQDBASISACCGA-JTQLQIEISA-N 402.709 1.052 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](N)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282500973 QMSVHTDJLCACAT-ZWNOBZJWSA-N 400.375 1.774 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282526413 RLVPYBOHKARZKV-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CC(C)(NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282828193 KBDYXGSTZFIVAZ-UHFFFAOYSA-N 402.709 1.181 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](CN)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282830854 ANAAOKFLQUUTAX-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840354 MUZDDVIPCUOIIA-WCQYABFASA-N 401.359 1.747 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C)(C)[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282840994 LDCHPEQYMZTDOO-GFCCVEGCSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@](C)(CO)C(F)(F)F)s2)OC1(C)C 2282848993 VFYDNCMOOPSTOV-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE CN(CCC(N)=O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282870140 NMCGVCZROQJDNS-UHFFFAOYSA-N 402.709 1.135 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@](C)(=O)CC2CNC2)OC1(C)C 2282884674 REMDYPSDWWVKGQ-VWLOTQADSA-N 420.387 1.053 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H]2CC(=O)O)OC1(C)C 2284394420 YBCLEEJSHZLFNC-LBPRGKRZSA-N 401.315 1.426 30 10 HDEE C[C@H](C(=O)O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284401361 HUCYBDKGUQZJKY-JTQLQIEISA-N 401.315 1.389 30 10 HDEE CC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284408360 VPNISVNKEKUXIP-LLVKDONJSA-N 403.331 1.745 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284410000 PXWWYSXPTRELKO-LLVKDONJSA-N 421.371 1.532 30 10 HDEE C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)C1)[C@H]2[C@@H]3C(=O)OCOC(C)=O 2297672747 SEQNRAWXEHHXPO-DYTZVDQUSA-N 416.470 1.670 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(OC)c1O 2330939121 IJEZSHVLNWAKBE-LLVKDONJSA-N 407.452 1.312 30 10 HDEE CC(=O)N(C)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs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c4nc(C#N)c(C#N)nc42)C3(C)C)CC1 39846497 PSCALIFMEWRDIZ-FCHUYYIVSA-N 422.489 1.850 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCC(O)CC3)C2=O)cc1 96573487 LGERTRJSVVPEEA-NRFANRHFSA-N 401.463 1.392 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)CC1 238881317 PIDNWNFHTGHJFZ-HAQNSBGRSA-N 415.431 1.451 30 10 HDEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccccc3C)N[C@@](CCSC)(C(=O)O)[C@@H]2C1=O 248107741 RCXPRSNXFVMIIU-NWZZKEMCSA-N 400.500 1.840 30 10 HDEE C#CCN(C(=O)c1cccc([N+](=O)[O-])c1Br)[C@H]1CCS(=O)(=O)C1 321930545 AVQDGKFPMGUBAI-JTQLQIEISA-N 401.238 1.620 30 10 HDEE CC1(C)OB(c2csc(CNS(=O)(=O)NCC(F)(F)F)c2)OC1(C)C 404973868 XSRKQARNUQEFCJ-UHFFFAOYSA-N 400.253 1.534 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 410071314 RTOBGJACPXOOOR-INIZCTEOSA-N 405.476 1.236 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3ccnc(N4CCN(C)CC4)c3)CC2)c1C#N 427590359 ZMDWZMUGBOSSPQ-UHFFFAOYSA-N 411.535 1.432 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(Cc4nnnn4-c4ccccc4)CC3)CC2)cc1 436405384 GYVCBUXFLZXJEH-UHFFFAOYSA-N 413.485 1.910 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2)nc1 436868966 JYTYBCAZQUKLMO-SJLPKXTDSA-N 406.442 1.943 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(CN2CCOCC2)cc1 463699396 YYXIJJOGUIOCFZ-UHFFFAOYSA-N 401.488 1.878 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC(=O)N1Cc1ccccc1 466836864 VQRIEGARBXRRIO-XLIONFOSSA-N 418.501 1.974 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)nc1 474359718 VMHFZUIPENZSGF-QGZVFWFLSA-N 411.527 1.911 30 10 HDEE Cn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478861467 VIPMLGIJURKGDW-OAHLLOKOSA-N 420.494 1.131 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CNC(=O)c3cccnc3)c(C#N)c2N)cc1 480796724 IBSWWGVVOFKZLN-UHFFFAOYSA-N 417.473 1.508 30 10 HDEE CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1c(C)nn(C)c1C 482403258 SSLBLPCFXHJILT-CXAGYDPISA-N 403.508 1.843 30 10 HDEE CN(C)c1ncc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 503589112 QCPISMDIBKZATQ-UHFFFAOYSA-N 414.491 1.454 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccncc2OCc2ccccc2)CC1 509267108 JBWTVFVMDLPPAE-UHFFFAOYSA-N 423.517 1.790 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC(CNS(C)(=O)=O)CC2)c1 510243038 NQLAAERVSVBGAU-UHFFFAOYSA-N 406.552 1.811 30 10 HDEE Cc1nc2cc(O)nn2c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 511417462 XWSXLVCEOFZOHJ-UHFFFAOYSA-N 405.462 1.600 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CC1 514770944 WDMSAISHEDXUMF-UHFFFAOYSA-N 400.442 1.521 30 10 HDEE CN(CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)c1ncnc2[nH]cnc12 523357381 CWNKURGMPHWWIC-CQSZACIVSA-N 422.474 1.201 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCn2cnc3ccccc3c2=O)CC1 532469591 MGGVZWBKGHLJLB-UHFFFAOYSA-N 423.498 1.275 30 10 HDEE C=CCOc1cccnc1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 540420450 WJMCODHJTKHYHI-RBUKOAKNSA-N 406.486 1.975 30 10 HDEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nnn1-c1cccc([N+](=O)[O-])c1 544834440 FDTPFHKREGXHJR-UHFFFAOYSA-N 418.417 1.713 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 553168567 MTSQRCSRUHWOGW-INIZCTEOSA-N 409.277 1.646 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 577305787 QUKGHQCRUCCCGM-SCLBCKFNSA-N 406.845 1.583 30 10 HDEE CCCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc21 586308765 OYMCKQHMKUYMHS-MMEWPQADSA-N 419.503 1.514 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)c(F)c1 586837732 LDUNCEHBHZARNM-IBGZPJMESA-N 408.477 1.994 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F 586859211 WCGGBTZMTMGBAG-INIZCTEOSA-N 424.480 1.035 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C2)nc1 586863507 PSDMKENFYSGWGE-KRWDZBQOSA-N 423.448 1.894 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)cc2F)c1 591831239 DNIZPZQQWLARKH-UHFFFAOYSA-N 403.435 1.885 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3C[C@@H](C)O[C@H](C)C3)c2)C1=O 606211000 ZLKWKCCJPIHQRK-HUUCEWRRSA-N 414.462 1.211 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@@H]1CCCO1 610574435 VAGOZIJRRIYWCA-INIZCTEOSA-N 409.511 1.215 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3cccs3)n2C)CC1 614012713 SXYFRZVUUDOONR-UHFFFAOYSA-N 420.564 1.082 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 623006169 YMSONADTRPSNMS-UHFFFAOYSA-N 407.495 1.926 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 670210381 DPUMOHVTIMQIFQ-NVXWUHKLSA-N 421.523 1.774 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C3CC3)c2=O)cn1 735069390 TYSLFTHOHUBVDY-UHFFFAOYSA-N 411.531 1.413 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735223698 FYORYQPKPCNERS-MRXNPFEDSA-N 422.507 1.061 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCOc3cccnc3)CC2)cc1 744142578 RSDSNPDFHPSCPM-UHFFFAOYSA-N 415.471 1.976 30 10 HDEE C[C@@H](CC(=O)OCC(=O)Nc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 745494681 ALROXBKDXHSVIP-LBPRGKRZSA-N 419.434 1.825 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)/C=C/c2ccccc2C#N)cc1 747314823 XNDCGMJEHHCULQ-IZZDOVSWSA-N 423.454 1.784 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)cc2F)CCN1C1CC1 753396138 JFPWYKVWJQFGMP-JTQLQIEISA-N 413.222 1.865 30 10 HDEE C=C(C)[C@@H](CC(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)OCC 756586588 XFEMPMRUBXSSJE-MRXNPFEDSA-N 408.480 1.570 30 10 HDEE COc1cc(Cl)ccc1NC(=O)COc1ccc(C=NNCC(N)=O)cc1OC 758898181 JQZWBDAZMCIHIP-UHFFFAOYSA-N 420.853 1.784 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccnc(CO)c1 763237210 LUJWKCSXBSLJHH-INIZCTEOSA-N 402.476 1.810 30 10 HDEE COc1ccc(Br)c(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 769074979 BXSVJLYMJNOBHY-MSUUIHNZSA-N 408.252 1.643 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 773973550 RBPIUTUUOCMNBI-WMLDXEAASA-N 407.492 1.456 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1)[C@@H]1CCS(=O)(=O)C1 774251121 NDXYZGOYWWITIR-QWHCGFSZSA-N 413.521 1.521 30 10 HDEE COc1cc(C)nc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1 776768807 RMPIHMUOGRAGRG-UHFFFAOYSA-N 403.508 1.781 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(C)nc1OC)[C@@H]1CCS(=O)(=O)C1 776837586 HJDVOMMADCVDLQ-LLVKDONJSA-N 401.282 1.424 30 10 HDEE Cc1ccc(NC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)cc1S(N)(=O)=O 781400781 ISLXVUZQECFUBB-UHFFFAOYSA-N 413.455 1.728 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4N3c3ncccn3)nc12 784727496 GUTASOKUGJRETF-JQFCIGGWSA-N 419.445 1.977 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(CC(F)(F)F)CC2)n1 788926479 RFGWQPWNIOYOQQ-UHFFFAOYSA-N 401.433 1.701 30 10 HDEE COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)c1 791702791 CBHLGNQTPRWYBS-FQEVSTJZSA-N 421.457 1.812 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CCC)c2=O)cn1 794582122 XTTDZVCMQCRKMZ-MRXNPFEDSA-N 414.531 1.425 30 10 HDEE COc1ccc(COC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1C#N 795386598 RKMJGJOEOVSLBL-UHFFFAOYSA-N 402.428 1.791 30 10 HDEE Cc1cc(F)cc2c1S(=O)(=O)N(CCS(=O)(=O)c1cccc(C#N)c1)C2=O 804919878 DOGKLYMIGTZQJL-UHFFFAOYSA-N 408.432 1.624 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 809885057 RWAWUIUJWZDELP-UHFFFAOYSA-N 412.494 1.949 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](F)C3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 811391210 YOIUHCCTWVESBS-MRXNPFEDSA-N 420.489 1.454 30 10 HDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC)[C@H]1CCS(=O)(=O)C1 812037052 JPPDZUYJFRNWOJ-LBPRGKRZSA-N 412.313 1.682 30 10 HDEE C#CCN(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 813812245 RHGLANICXSIWHJ-KKUMJFAQSA-N 417.503 1.166 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 816950660 XPFFETYLANLYOS-PVAVHDDUSA-N 404.536 1.446 30 10 HDEE CN(C)c1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCN(O)C2=O)cc1[N+](=O)[O-] 820185716 QEJKMVIRTPFZSM-HNNXBMFYSA-N 412.402 1.612 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CC[C@](O)(C(F)(F)F)C1)NC(=O)OC(C)(C)C 883979720 UYKIKFYBWUYJPY-MEDUHNTESA-N 410.389 1.525 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915519692 JQBPREAMVOZJIR-NSHDSACASA-N 409.236 1.246 30 10 HDEE Cn1c(=O)c2cc(NC(=O)c3cccc(C#N)c3Br)cnc2n(C)c1=O 1124605474 CQTSDUCNZGJMIJ-UHFFFAOYSA-N 414.219 1.519 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)/C=C\c3ccccc3C#N)CC2)cc1 1132969210 PHSNOGSELSYYNH-WDZFZDKYSA-N 410.499 1.828 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1136725892 FJIRNVCBHITWRN-MRXNPFEDSA-N 415.556 1.566 30 10 HDEE CO[C@@H](C)c1noc(CN2CCCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)n1 1137161954 CHTMWPVTRPIRMH-ZDUSSCGKSA-N 400.439 1.406 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)C2=O)cc1 1139810938 AKBFSHXSCPLWMT-NHCUHLMSSA-N 416.481 1.938 30 10 HDEE CCNC(=O)CN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1141467981 OZFRJVDQMJLUJA-INIZCTEOSA-N 409.531 1.244 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 1141816505 ASFGCAQINHDPFZ-UHFFFAOYSA-N 419.507 1.425 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)c1 1155459608 IGQDWWPYFUPTDF-UHFFFAOYSA-N 414.409 1.552 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1171219950 SYLAMUNTZYKOLX-IERDGZPVSA-N 423.498 1.704 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC2(C3(O)CCOCC3)CC2)cc1 1178265277 HPUBTYPUQNZAHQ-UHFFFAOYSA-N 406.504 1.816 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)nn1 1180301441 NAPLBJOSFVHBNC-HNNXBMFYSA-N 404.471 1.841 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2nnc(-c3cc4ccccc4cc3OC)o2)CC1 1194649168 OFAVVYCHBQNHFJ-UHFFFAOYSA-N 419.485 1.765 30 10 HDEE C#CCN(CC(=O)NCC(=O)N1CCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1197768890 KXQGXKGZEIQVDO-UHFFFAOYSA-N 406.527 1.060 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1197869326 VWOGMQOXUOFVNE-CQSZACIVSA-N 403.460 1.920 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)OC 1212123440 MSNPZWSVIHPAAN-GFCCVEGCSA-N 420.281 1.318 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286356890 CNICWJZJHVUFKN-SJORKVTESA-N 409.490 1.994 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCN(C2CC2)C1 1286400630 JABBHRMSMSFFKC-AUSIDOKSSA-N 411.550 1.876 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@]1(N2CCOCC2)CCSC1 1286434619 QQXYHAFGEDDSET-NRFANRHFSA-N 417.579 1.485 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cc(C)nn1C 1286460150 UZEKPFIOISPNGY-FQEVSTJZSA-N 402.499 1.106 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC)CC1 1286478774 FZCUIBGVPAXNFH-GOSISDBHSA-N 408.506 1.431 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)CC1 1286646724 VJOOAJCNJZKDLK-MRXNPFEDSA-N 403.508 1.789 30 10 HDEE CC(C)N(C)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1287891826 IFWPNNTXQRIJIV-MRXNPFEDSA-N 412.498 1.384 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1289342756 BGQKVRAVJBIUPV-LJQANCHMSA-N 424.505 1.729 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 1292881583 TXJZJLNPWOYKEL-PXAZEXFGSA-N 407.879 1.994 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cnn(C)c1)c1noc(C)n1 1298587999 DKJNMEFSXHKZNV-LSDHHAIUSA-N 402.455 1.624 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1298790320 MZHPQDYBPWFQME-GOSISDBHSA-N 408.466 1.521 30 10 HDEE CO[C@@]1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1299813850 BTJXNYMHIVRQOL-CRAIPNDOSA-N 404.496 1.168 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 1300019345 VFVHUZBQBMIFTP-CVDCTZTESA-N 417.469 1.964 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300482854 HQEQBTMMOAIDJF-AEFFLSMTSA-N 402.520 1.989 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300496857 VMJICXFWLRNWMO-SYNHAJSKSA-N 422.551 1.224 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1300663626 GGMXVIWPWCIVDR-JOCHJYFZSA-N 406.490 1.991 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCCO2)CC1 1300703583 LQGBFGSWFXXVEZ-OAQYLSRUSA-N 424.549 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(Cn3cccn3)c2)CC1 1300716174 JXKCIEZFVSQQJI-UHFFFAOYSA-N 417.517 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)COC)CC1 1300726186 IHQPWIZUUJMFFI-KRWDZBQOSA-N 410.522 1.512 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)C 1300890225 GBMDGMSIMUVUHJ-OXJNMPFZSA-N 418.542 1.343 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301147607 GNYCUPAECSHBKS-OWCLPIDISA-N 400.527 1.794 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1301273113 NMYMTEKLPJUQQY-CQSZACIVSA-N 407.540 1.786 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)COCCO2)C1 1301566974 DNURNROJAPRJJR-NTLWEQJWSA-N 422.526 1.589 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H]2C)C1 1301567653 XWXKQGRXAIXXDL-ROUUACIJSA-N 402.543 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCS(=O)CC1 1301586054 HMTHTMDSZBUQPR-UHFFFAOYSA-N 400.570 1.180 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301596754 XQWDKIYMSNDONO-HNNXBMFYSA-N 406.556 1.490 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1303635160 ATERGTPJPOGPFW-YPENRWOSSA-N 423.477 1.872 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(CC(=O)NCc3ccc(C#N)cc3)C2)ccn1 1307889866 GCYUSQQQTQEZBN-LJQANCHMSA-N 407.474 1.472 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1312755759 BSNHAMHBOYPJAE-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1313553550 CZWZMVCJGJOKAW-UHFFFAOYSA-N 408.510 1.302 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1 1320924279 CREXIRFAKCNBGA-VFNWGFHPSA-N 401.463 1.574 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)c1cnn(CCOCC)c1 1347277180 NFRXBBGOYIXRLV-GFEQUFNTSA-N 402.495 1.372 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2C)cc1 1356317893 DADFDRQBPHWIBE-ZKCWRFQVSA-N 406.508 1.839 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1358908066 KLMCHMFUUMVBRL-MRXNPFEDSA-N 419.493 1.391 30 10 HDEE C#CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1358916907 AIANNMGPUPHLCS-XLIONFOSSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)COC 1358940478 ZCZGFMPFXRCGHG-AWEZNQCLSA-N 404.540 1.899 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358941617 QTDJJLLXDHHBLE-CQSZACIVSA-N 418.479 1.204 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1358951011 FLCZOBGDZBHDOY-QFIPXVFZSA-N 416.529 1.948 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358960940 OUDCGKCNZYOVCZ-IRXDYDNUSA-N 417.535 1.859 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358967711 QOKWSXIBGHQXJV-MSOLQXFVSA-N 423.583 1.173 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cccn2)cc1 1359018372 NMABCIWTMYZWBO-UHFFFAOYSA-N 421.505 1.736 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)NC(C)C)CC1 1359033438 BXRZBFMEZRFAEM-UHFFFAOYSA-N 410.522 1.624 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359221400 ALPPDMSPSVJJHQ-IBGZPJMESA-N 406.487 1.040 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(c2nc(C)no2)CC1 1359297536 TYQONHCEUFHBBJ-UHFFFAOYSA-N 410.482 1.661 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H]1C 1359300888 MAOYGNCVWRPPSS-SJORKVTESA-N 424.553 1.989 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)=C(Br)C1 1359301142 SUPUXNRTAOATSM-CYBMUJFWSA-N 410.316 1.963 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1359301440 YSLGPDYGUYFZMH-JKSUJKDBSA-N 421.567 1.499 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359301552 BHJMSPSMTAJMKN-OAQYLSRUSA-N 412.469 1.169 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(CO)CC1 1359305291 YRTONIJMUFFNJN-UHFFFAOYSA-N 403.458 1.507 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)C1 1359312722 ZZXRBWJWDJTBTN-ROUUACIJSA-N 402.543 1.780 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(CS(C)(=O)=O)CC2)C1 1359318987 QGBMPSUQFTXJIG-QGZVFWFLSA-N 417.535 1.946 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1359343464 UBTOIOBYCNSGLL-HZPDHXFCSA-N 414.597 1.962 30 10 HDEE CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359595973 XNDVVPHDISXZPM-UZLBHIALSA-N 406.506 1.725 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1438021361 VZGNEHZOPJJZCD-HZPDHXFCSA-N 405.476 1.867 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1444719803 CKHMKUQMMOJLTC-SOZUMNATSA-N 414.890 1.517 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@@]4(CCOC4)C3)C2)C1 1448097850 QFUVYOOBHLSJPI-IUTMSDBMSA-N 405.495 1.791 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@H]43)cc2)nc1 1451161619 PKHQRHQEMONSOO-MSOLQXFVSA-N 413.455 1.774 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H](C)O1 1452797004 HEYBYNJPYIFDBM-GHJWDPDVSA-N 405.838 1.353 30 10 HDEE C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)CO1 1462814520 CUQHYYFBCNRCKK-ALKREAHSSA-N 407.492 1.335 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccco1)CC(F)(F)F)c1cc[nH]n1 1464550379 GOCBYVQOUCWYED-UHFFFAOYSA-N 402.329 1.878 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](CC(N)=O)c2ccccc2)s1 1467744327 BGNXYKHLOOGPNL-INIZCTEOSA-N 421.544 1.830 30 10 HDEE C#CC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468664273 ZCISEWBWIGFIDK-RBUKOAKNSA-N 412.538 1.727 30 10 HDEE C=CCOCCCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1470822680 WAQQXWFZGBGDFF-OAHLLOKOSA-N 411.499 1.631 30 10 HDEE O=C(CNS(=O)(=O)c1cccc(Br)c1)NCC#C[C@H]1CCCCO1 1472317438 GTPQSNAHSHZPLA-CQSZACIVSA-N 415.309 1.416 30 10 HDEE C[C@H](CC1(C#N)CCOCC1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1474455466 BERCDXITZXJUDW-OAHLLOKOSA-N 421.519 1.519 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1475545925 DOGBAKIGPMECFM-SNVBAGLBSA-N 408.245 1.691 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1503633738 JHQSVXUKVIJCEK-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2C)n1Cc1cn(C2COC2)nn1 1504885855 WAWIEKVJZRPMTO-UHFFFAOYSA-N 422.493 1.831 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)C)CC1=O 1504910163 GKNFJAOVUOUBQL-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507554485 SAUFRIVWNNGKKW-OAHLLOKOSA-N 416.507 1.352 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507591890 OYIUJMWVAQBPAW-QGZVFWFLSA-N 404.478 1.236 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507623799 XGNKNBINQFKQCF-ZRDSACAASA-N 424.567 1.348 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1507633653 UHLHIFSVADCDSI-HUUCEWRRSA-N 407.540 1.292 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507635152 TVMYOOGYOSKUPZ-HNNXBMFYSA-N 420.539 1.291 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1507647439 BVCWRLAMEIKKDD-IBGZPJMESA-N 402.502 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(C[S@](C)=O)cc1 1507648239 MEUADVFMBZFHOT-LJAQVGFWSA-N 404.499 1.735 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@H]1C 1507713087 XRGCTDJOIRUTAQ-MJGOQNOKSA-N 422.533 1.766 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1507722248 RYYPUOBHRDOXQC-UHFFFAOYSA-N 416.551 1.047 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1507726153 FXHMKBFOYAWIHF-OAQYLSRUSA-N 420.517 1.909 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCC(F)F 1517105031 CHVIHIVKEJHJLO-UHFFFAOYSA-N 412.404 1.624 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1517143727 DCSQRVIJCCAIGH-DPDCMNJDSA-N 414.259 1.858 30 10 HDEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)CC1 1521142996 CCMNQOPDRUAMFA-UHFFFAOYSA-N 406.450 1.775 30 10 HDEE N#CC1(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCSCC1 1524479204 PSWIXGROAFXBOB-UHFFFAOYSA-N 413.496 1.822 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)C2 1530023926 ITGBDFQWBFWBLS-UHFFFAOYSA-N 417.512 1.726 30 10 HDEE Cn1c(=O)c2cc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)cnc2n(C)c1=O 1536458843 UHSMHZMFZGYNDE-CQSZACIVSA-N 417.347 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538982927 LVKBSXXYYNXFTD-HOTGVXAUSA-N 417.535 1.693 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1539072102 KXRPRSUXEXFCPA-OAHLLOKOSA-N 421.523 1.063 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539211671 NDDXPMVETJSGAD-DLBZAZTESA-N 415.519 1.255 30 10 HDEE C#CCSCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1539531247 SYIPTWSIJNNONP-UHFFFAOYSA-N 413.613 1.708 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)CC1 1539702434 DXJWBVGRYSLHTQ-CQSZACIVSA-N 418.291 1.863 30 10 HDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539715994 NVKGKVAOIFZTQL-KRWDZBQOSA-N 407.478 1.861 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540582978 DAOGSWZMZYPZSA-GOSISDBHSA-N 423.477 1.817 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCC)CC1 1540868496 HSISXCMZKHWEQQ-KRWDZBQOSA-N 401.515 1.766 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1540891335 SLBDQCKMEVKHJX-SJORKVTESA-N 410.478 1.158 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1541363550 CLCNGHFEFOPVIA-QGZVFWFLSA-N 422.537 1.909 30 10 HDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c(C)o1 1542139649 DFASRKPYQNRFOP-YSGRDPCXSA-N 416.457 1.789 30 10 HDEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)cc1 1547756665 DPBHHCTVSZAEQT-HNNXBMFYSA-N 411.510 1.810 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cnccn2)nnc1N1CCCCCC1 1556022379 DXHCAFGLWXIBOW-ZPHPHTNESA-N 408.466 1.642 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1557513895 QKZORPUVYZGBPF-SFHVURJKSA-N 413.434 1.605 30 10 HDEE CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032790 INMWAMYBAWMJAX-INIZCTEOSA-N 401.463 1.928 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2cccc(Cl)c2)c(=O)n1C1CC1 1559453074 MKIKGJHSNYPGPB-UHFFFAOYSA-N 402.838 1.374 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3C[C@@H](CO)[C@H](C(F)(F)F)C3)C2=O)cc1 1564546845 APYJNSKGSVXXFE-NUEKZKHPSA-N 410.396 1.866 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 1565107047 ZYDPTIDJHMBPBX-LJQANCHMSA-N 423.510 1.706 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C1=O 1568439847 GOEUMPRUJMYOCF-XOBRGWDASA-N 418.498 1.475 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1F)[C@@H](C)O 1583563040 NQTIOTUYSLTMRE-JCGVRSQUSA-N 405.451 1.602 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1587614963 PUVAHKAHYJWKCA-HNNXBMFYSA-N 414.535 1.834 30 10 HDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1587724047 MSPKGALYTVLVBL-LBPRGKRZSA-N 405.296 1.746 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC(F)F 1587974976 IDRYAKPKYVJODB-UHFFFAOYSA-N 402.405 1.891 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(CC)s1 1588174153 QWMJOJGOTIARRF-UHFFFAOYSA-N 420.502 1.851 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(C)CN(C)C1=O 1588254484 XBSOAGVBTCYYPK-JOCHJYFZSA-N 409.465 1.937 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N[C@H](C)CC)CC1 1588806678 ZKVQCHFRPVAGGW-QGZVFWFLSA-N 409.538 1.709 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1589070662 VVDWPUMHQUICMN-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1594567686 PZHYHXUXYFDXSV-LJQANCHMSA-N 409.556 1.788 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595544434 ICQOFWMTVDDEPV-IERDGZPVSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595556155 PLKDMYMDSSAEPW-QGZVFWFLSA-N 417.535 1.103 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1595583880 IBYQHRREPFUQGE-MRXNPFEDSA-N 418.519 1.853 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595608291 QGDITWHXNHORHY-NTDBWNAOSA-N 419.526 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595804938 ITXHPJFMPXTXEB-CQSZACIVSA-N 418.585 1.091 30 10 HDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1596710300 XNFSYOINZKGDIO-UHFFFAOYSA-N 418.505 1.998 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C(C)C)CCOC1 1596790504 NKQOYTRCMMBAGU-OXQOHEQNSA-N 406.531 1.687 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)cc2)nc1 1611111927 PONNMNKOWRTOGI-HXUWFJFHSA-N 413.455 1.775 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)C1 1611602449 YDJIKFQGXDEZOC-QMMMGPOBSA-N 402.332 1.997 30 10 HDEE CON(C)C[C@H](O)Cn1cc(N=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)cn1 1612007181 OURPDVFJPNPFKC-LBPRGKRZSA-N 406.368 1.740 30 10 HDEE CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1613641045 HZPPAWUHNJXRHD-QZTJIDSGSA-N 411.510 1.800 30 10 HDEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCN2C1=O 1618461851 IDGUWIWHJNXITF-GOSISDBHSA-N 409.494 1.535 30 10 HDEE CN1CC[C@@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618464301 BNPUYMZCFQYPPJ-KNQAVFIVSA-N 410.522 1.747 30 10 HDEE COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1619904605 HVFOESMDYAVKNR-ISKFKSNPSA-N 424.545 1.715 30 10 HDEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1623788316 BALCTEQBXJYUHL-RTBURBONSA-N 405.520 1.412 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1624064685 CHOXRFHFXGUPLU-QWHCGFSZSA-N 424.951 1.197 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(NC(=O)OC(C)(C)C)c2)CC1 1627015354 PYKTUKVRXIEUIL-UHFFFAOYSA-N 415.494 1.326 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1 1627150716 NZXZAWTUIOPKQF-DLBZAZTESA-N 408.462 1.837 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1631312675 UXPNTVBHXSYMRS-CQSZACIVSA-N 402.513 1.120 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1631921447 VEYUYJHZCMCRAQ-PBHICJAKSA-N 411.384 1.066 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)cn1 1632070439 ALMSGNDJGVTQMS-HXUWFJFHSA-N 407.522 1.834 30 10 HDEE N#C[C@@H]1CN(C(=O)c2c[nH]nc2I)CCN1Cc1ccccc1 1633446110 KSNXDEKHODRYJE-CYBMUJFWSA-N 421.242 1.864 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1633696104 PKIZURQXGRYLBP-WDEREUQCSA-N 423.354 1.574 30 10 HDEE C[C@@](C#N)(NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C1CCCCC1 1633855964 VGMNQQFCOQLWQQ-UWJYYQICSA-N 402.470 1.707 30 10 HDEE Cc1cccnc1NC(=O)CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1638586486 OBRBSBAHENWXGP-UHFFFAOYSA-N 404.423 1.585 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CC(=O)OC)c(F)c2)cc1 1639389905 VJRPNRXPRKLTGK-UHFFFAOYSA-N 404.419 1.705 30 10 HDEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1 1640074969 ZHYIFNWLCTWARS-HNNXBMFYSA-N 419.532 1.937 30 10 HDEE CS(=O)(=O)Nc1ccccc1CC(=O)N1CCN(c2ccsc2C#N)CC1 1641397034 AVNAWICTHLIVFN-UHFFFAOYSA-N 404.517 1.883 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)c(Br)cn3)CC2)c(C(N)=O)c1C 1642232619 PVGJOTWKEWZNQX-UHFFFAOYSA-N 416.283 1.548 30 10 HDEE N#CCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 1643627928 ROSPHSLUJUMKLP-UHFFFAOYSA-N 404.517 1.748 30 10 HDEE CON(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)OC(C)(C)C 1643867004 QHJJEJDQNGCFTF-OLZOCXBDSA-N 411.480 1.345 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C(=O)OCC)c2cccnc2)c1 1645220236 HGTIXPJAARJIRN-GOSISDBHSA-N 417.487 1.922 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)COC(=O)N2 1645459165 MVVRQDIZSHXAEM-NSHDSACASA-N 400.416 1.926 30 10 HDEE C#CCC1(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1645729267 CUMYBKUMHKQNPA-UHFFFAOYSA-N 417.531 1.974 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](Cn3ccnn3)C2)CC1 1647729266 WNMKUDGQCWFOSE-FXAWDEMLSA-N 411.485 1.148 30 10 HDEE O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC#C[C@H]1CCCCO1 1648586237 GTLNSSVWTCPSTO-MRXNPFEDSA-N 407.488 1.700 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(OC)(c3nccn3C)CC2)cc1 1651273109 VCJDONVEGJDDSB-UHFFFAOYSA-N 418.519 1.662 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C)nc1OC 1653506601 LIBDXRPUONAPCA-HNNXBMFYSA-N 419.507 1.342 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1655670540 WMJNJUXUYMGUOZ-AWEZNQCLSA-N 402.438 1.682 30 10 HDEE N#C[C@]12CN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1655770379 CIRFMJJECZUKFG-SQWLQELKSA-N 404.410 1.315 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)cc1 1660364761 ZQCSSMGDDGSUEY-UHFFFAOYSA-N 408.501 1.071 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1671672071 RXAHGJRQVLJFFI-CYBMUJFWSA-N 409.389 1.848 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 1682417077 QAINHZHUNGBVET-UHFFFAOYSA-N 411.572 1.907 30 10 HDEE C#C[C@H](NC(=O)N(CCCN1CCOCC1)Cc1ccncc1)C1CCOCC1 1684187695 ALIUTYQBPZBLIZ-NRFANRHFSA-N 400.523 1.744 30 10 HDEE CC(C)(C)C#CC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1685999620 HBECKEUUSQMREC-GADBESIXSA-N 402.413 1.630 30 10 HDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCC(=O)NCC(=O)NCc1ccccc1 1686378299 AHLPXMWOJIZSDD-IBGZPJMESA-N 405.458 1.277 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN(C)CC(F)(F)F 1689860651 FLQWBXNGHITUCY-CQSZACIVSA-N 400.449 1.743 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1689947802 LTCDINSSCUEDGR-HXUWFJFHSA-N 401.442 1.777 30 10 HDEE C#CCN(C)c1nnc(CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1689972131 FWLMWBMCKUOJNJ-MRCUWXFGSA-N 404.474 1.659 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1689986362 NYFKWWZWKTVBIC-INIZCTEOSA-N 403.508 1.392 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1690015313 ICPIACCCKCMDME-HNNXBMFYSA-N 414.416 1.389 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCn1cc(Br)cn1 1690019371 GWAFDDKEQUNZLR-HNNXBMFYSA-N 417.311 1.904 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1690244382 WZAKVAFUOLQJHF-DOTOQJQBSA-N 420.539 1.307 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1690527459 ONAPXNUXWWGWLL-OAHLLOKOSA-N 411.553 1.537 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(F)F)C1 1690678114 LJOKPLPBUOIFEL-DZKIICNBSA-N 413.469 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1690723278 MLQAODLUUDBZED-KRWDZBQOSA-N 420.539 1.551 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1691545842 GTYMCZXGQGICRW-KGVIQGDOSA-N 408.506 1.939 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1693773605 LHFVQCSQIPHFFA-HNNXBMFYSA-N 406.446 1.951 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1705521504 CZCVOPCDYRIIGE-OAQYLSRUSA-N 418.542 1.585 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCc1nc(C)cs1 1705541999 WKCGICGEAMPRJR-AWEZNQCLSA-N 410.569 1.746 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1705551841 SAUBHBLTXFMAAR-AWEZNQCLSA-N 410.446 1.899 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1705568973 BJKBLSMZPCSKFT-RTBURBONSA-N 419.595 1.589 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705657594 KGEZIZWSIDJOSZ-INIZCTEOSA-N 413.551 1.690 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1705665066 JHMYAHQMIGXLOC-JXFKEZNVSA-N 422.551 1.686 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1705905926 LTEVZEXYTYJXMQ-HNNXBMFYSA-N 415.567 1.873 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705948494 VMKKGSIIUFRZOA-JKSUJKDBSA-N 418.567 1.567 30 10 HDEE CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1708691174 BHYHPXPOLMPXPC-ZWKOTPCHSA-N 400.531 1.774 30 10 HDEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1709907880 BNAKOTXCRCXTPH-UHFFFAOYSA-N 407.522 1.907 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711058539 YPNXFLBGLODWIH-ZFDMEJTGSA-N 402.499 1.791 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1722341876 FOAKADASQLRYBK-HOTGVXAUSA-N 416.551 1.409 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1c2ccccc2C[C@@H]1C 1722370480 LQNRIAXKHZIOHQ-SFHVURJKSA-N 404.518 1.940 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1722471544 IZCOUCQWTRAOQV-FDDCHVKYSA-N 420.517 1.880 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722504313 FXMNCAQGTXGCMX-UHOSZYNNSA-N 413.526 1.765 30 10 HDEE C=C(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722520027 ZOQWPRDIPXBPNZ-UHFFFAOYSA-N 410.522 1.930 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)CC1 1722566601 VLFUQKRRBMJDLW-CVEARBPZSA-N 409.556 1.641 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722622373 JAUDZEGWEIEWME-UZLBHIALSA-N 405.499 1.926 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722693876 CTKSFCDTCGMJDU-APWZRJJASA-N 405.506 1.792 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)Cc1ccccc1 1723589767 AXWPFIOCSRQKIE-NRFANRHFSA-N 413.501 1.990 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1729592004 FOOSPDKSPNULSS-HNAYVOBHSA-N 400.870 1.806 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1730458837 FUSSKCXVVREFMW-HOTGVXAUSA-N 412.494 1.678 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1730824470 KEEOAQLRRCINAU-GDBMZVCRSA-N 404.515 1.657 30 10 HDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C1 1730911485 ZSDNKKGMSXZIGN-SFHVURJKSA-N 415.494 1.741 30 10 HDEE CSC1(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1731061610 DGCWMWWYLJWJHX-HNNXBMFYSA-N 403.512 1.320 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N(C)C 1740681340 HNYIRBQSPGXPAQ-UHFFFAOYSA-N 401.467 1.137 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740759271 HQCGMCIPFKEHGS-GGPKGHCWSA-N 410.522 1.947 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1741001082 KRYMXYIWUVWNMR-GUXCAODWSA-N 421.567 1.923 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1748764355 MAFBMMHHXDUCMV-FQEVSTJZSA-N 404.515 1.195 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1748927964 ZELRFLZBDJXTFE-GFCCVEGCSA-N 407.400 1.740 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749642444 GHLISZBSEYKNLW-INIZCTEOSA-N 414.441 1.655 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749658665 TZNFAWTURPWNSJ-QGZVFWFLSA-N 410.522 1.902 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CC(C)C)C1 1749731683 ILNTVXCTFWAKIH-JKSUJKDBSA-N 409.556 1.702 30 10 HDEE CSCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750312530 WSQQEXNGQCGBER-QGZVFWFLSA-N 417.583 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760114961 WFSYSLLELCHEGY-CLRXMSQOSA-N 422.489 1.982 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760188225 NUAMFASOQIEBGE-VSZNYVQBSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nccs1 1760210206 OFEPXCPDXRNHHW-CABCVRRESA-N 420.564 1.611 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760284256 JPWGZPYJELRETG-MRXNPFEDSA-N 405.549 1.254 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760410371 BRWVAAYDBZDFAP-MRXNPFEDSA-N 421.571 1.799 30 10 HDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1768085863 FBQVECHRMDLFHT-GOSISDBHSA-N 409.494 1.799 30 10 HDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(C(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@@H]21 1770270307 TZTSHMJMYVPBID-BKKXVALWSA-N 414.510 1.789 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1770345996 UUHDAABDUYAPAG-JKSUJKDBSA-N 404.471 1.429 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCOCC1 1771287147 GGNQTSJUSVVQCE-ROUUACIJSA-N 419.526 1.674 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1772564387 SPNDZGKCICEBNM-YESZJQIVSA-N 411.572 1.302 30 10 HDEE CN(C)[C@@H]1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)C1 1772791213 PHNQEFHEPPRXDA-UONOGXRCSA-N 417.462 1.928 30 10 HDEE CCc1nc(-c2ccnc(N3CCN(CC(=O)c4ccc(C#N)cc4)CC3)n2)no1 1851296200 YBMJSBUKAZXWGM-UHFFFAOYSA-N 403.446 1.966 30 10 HDEE N#Cc1ccc(C(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1F 1851589953 LNNCALOOCHTXLX-PKOBYXMFSA-N 407.401 1.866 30 10 HDEE N#Cc1cccc(C#N)c1N(CCOc1ccccc1)C(=O)[C@H]1CN2CCN1CC2 1852658458 IVRUOYMTEYPQMI-OAQYLSRUSA-N 401.470 1.842 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1=O 1853827393 BMGUQTDLIFRTFH-SJORKVTESA-N 415.490 1.554 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3C)CC2=O)cc1C#N 1853950864 YQFIMVILZBYMAO-UHFFFAOYSA-N 415.446 1.988 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cncn1 1854517287 ODHRSMPALUEXJH-UHFFFAOYSA-N 415.475 1.147 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1 1854599369 JVNDBEHKPFYVBR-GOSISDBHSA-N 419.547 1.643 30 10 HDEE Cc1cc2ccccc2n1CCC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855019024 HACIYMXJIPRJCS-HXUWFJFHSA-N 407.518 1.999 30 10 HDEE COc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1855321631 OVDNWUBQEDOKIC-QGZVFWFLSA-N 402.428 1.657 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)nn2)cc1 1855436161 DCVKRUIWEFAUTC-KRWDZBQOSA-N 410.478 1.559 30 10 HDEE CC(C)C[C@H](F)C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855836789 BRSASLFQZOYWOE-AEFFLSMTSA-N 401.486 1.835 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)[C@@H](F)C2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856236217 ZZXNKWXRLCDVEU-KUHUBIRLSA-N 414.485 1.372 30 10 HDEE Cc1c(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)nnn1-c1ccccc1 1856525743 ZLPMLOHSWZFXIG-SJLPKXTDSA-N 404.474 1.943 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC(n3cnc4ncccc4c3=O)CC2)C1=O 1856907772 FFJIXAKQQIGTLA-KRWDZBQOSA-N 408.462 1.250 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@@H]1CCN(C)C1=O 1857061097 NSABGENGDOAEBI-FUHWJXTLSA-N 414.506 1.578 30 10 HDEE CCn1nc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1C 1857074932 UDJCQITZSDKVMP-GOSISDBHSA-N 407.478 1.041 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857086910 GFDZZTKSXVSVIV-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE CC(C)(C)c1ocnc1C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857104272 QVEIOGMBHWHCCC-HNNXBMFYSA-N 409.446 1.743 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)C1CCCCC1 1857184936 CSWJNKWSGYSPOD-UHFFFAOYSA-N 404.492 1.679 30 10 HDEE C[C@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CCS1(=O)=O 1857340579 ZZYFCKLJZKAFCU-RDJZCZTQSA-N 403.504 1.446 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCO2)cc1 1858981728 FUNVDKCHQSRSDA-GOSISDBHSA-N 421.519 1.597 30 10 HDEE CN(C)c1ccc(/C=C/C(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cn3)CC2)cc1 1860634276 NRTKCINBYLHLBH-WEVVVXLNSA-N 409.446 1.987 30 10 HDEE Cn1nc(-c2ccccc2F)c(C#N)c1NC(=O)CN1C(=O)c2cccnc2C1=O 1866236971 ROADXJBJNOZADQ-UHFFFAOYSA-N 404.361 1.728 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)NCCN1CCOCC1 1871319981 VCAUYYBWOOYELP-UHFFFAOYSA-N 404.252 1.044 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1ccc(OC)c(OC)c1 1874498793 FTJNWESWDVOKAO-KEBDBYFISA-N 407.496 1.942 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914786035 YKEVYGYJPLMQSE-ROUUACIJSA-N 402.495 1.763 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1987703020 YWXXWWOZEALNOP-APIJFGDWSA-N 410.320 1.670 30 10 HDEE COCCN(CCC#N)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029309094 ZZYRPJLGZVATOE-UHFFFAOYSA-N 407.492 1.645 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)nc1 2174782240 OLOFSACBYPFGMW-GFCCVEGCSA-N 402.423 1.876 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CCS(C)(=O)=O 2186596002 XDRXVNNQXOJYCJ-LLVKDONJSA-N 402.347 1.396 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238441010 MOFKDTPQYPLOIB-PXAZEXFGSA-N 415.537 1.906 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822730 IRBQFVHWMTUNEO-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247829841 WOYPHJFHIQHMLB-LBPRGKRZSA-N 420.319 1.694 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248565648 OYGRHWNJJSTKDN-HNNXBMFYSA-N 415.255 1.109 30 10 HDEE Cc1c(C(=O)NCC2CN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832428 LYZZUEBQWCMAMH-UHFFFAOYSA-N 424.354 1.890 30 10 HDEE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267369181 SXAWGNBXFBYGPM-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=S2(=O)CCOCC2)OC1(C)C 2267721315 PGVMFRMIJNTEHR-UHFFFAOYSA-N 407.344 1.234 30 10 HDEE CN(Cc1ccc(I)cc1)S(=O)(=O)N1CC[C@@H](C#N)C1 2280339880 ISTOTCIKUQUGJP-LBPRGKRZSA-N 405.261 1.813 30 10 HDEE C#CCN(C(=O)[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2281292313 RYUQNQLUELHJSL-RDTXWAMCSA-N 402.488 1.232 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCCCS(N)(=O)=O 2281948593 YCEJVRKCZKCGOC-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281958961 JWRXLYNUVRGESU-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CCN(CC)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282314975 HVBBTPIHCRYGFD-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE C[C@@H]1CNCC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282337253 FUKCGYHRWIMYBL-STQMWFEESA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@@H](C)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282425548 RAXWISWDLUBVGK-STQMWFEESA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3O)c(Cl)c2)OC1(C)C 2282495883 SNOBKEYOYASXNS-KBPBESRZSA-N 401.721 1.831 30 10 HDEE CC1(C)[C@@H](O)CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498594 GVGSQQMQCLNYSF-KGLIPLIRSA-N 401.359 1.875 30 10 HDEE CNC(=O)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282503571 BWISQVWGINXAGV-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@H](N)CC2)OC1(C)C 2282505579 GGLXQKTUYJDDOD-GFCCVEGCSA-N 401.363 1.085 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282525425 QGAKPLHJQMCFKW-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3[C@H]4CN[C@H]3C4)cc2Cl)OC1(C)C 2282827371 YNYJNIPPWDOMMG-SCVCMEIPSA-N 418.777 1.587 30 10 HDEE CN(OCC(F)(F)F)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832139 KEJDIVKIFJBDFW-UHFFFAOYSA-N 416.252 1.698 30 10 HDEE C[C@H](O)C[C@H](C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843879 UGLVYFRGXXUFRF-STQMWFEESA-N 403.375 1.874 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCSC1 2282848798 RYOVQGOJNYQQAU-INIZCTEOSA-N 419.399 1.848 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2282854874 WZPQHFWIEYWOKY-KCJUWKMLSA-N 415.264 1.637 30 10 HDEE CN(CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CC1 2282858895 FDMKVYXFNDVMMH-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C=C(CS(=O)(=O)NCc1nc(CN(C)C)cs1)B1OC(C)(C)C(C)(C)O1 2282871159 CFGUNQDDCHDMBJ-UHFFFAOYSA-N 401.363 1.812 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284392942 DHPXXLMGJPFPQT-LBPRGKRZSA-N 403.331 1.682 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)OC1(C)C 2284397039 HPXKNVOWMPGWTR-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 2338907054 UZMSFBVAPINWAQ-MRXNPFEDSA-N 418.519 1.312 30 10 HDEE CCCN[C@@H](C#CP(C)(C)=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351771134 JOGCYDLQMWQVHD-AWEZNQCLSA-N 406.485 1.972 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCCSCCO)OC1(C)C 2360783596 XUJHTQTVTSZWPR-UHFFFAOYSA-N 401.359 1.131 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)COCCNC(=O)OC(C)(C)C 2367782717 ARLQIDXUDMSRAH-INIZCTEOSA-N 402.557 1.867 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367796505 QECMRGWJFWAJFI-ARFHVFGLSA-N 400.541 1.604 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CC1 2367797684 NUBLJCCUVBDITF-HNNXBMFYSA-N 401.525 1.734 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367805339 ALVNBJPSNGBDAR-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 9333684 MRRVIVJBLQHGLA-BEFAXECRSA-N 409.508 1.650 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)cc2C1=O 30118067 SREBDDUWXANYGQ-UHFFFAOYSA-N 411.458 1.180 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1 53309352 FULJQXLDJRKEIF-UHFFFAOYSA-N 405.495 1.091 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(OCCOC)c2)cc1 53997186 PTCAZCJNBYUQNG-UHFFFAOYSA-N 402.472 1.553 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 105284389 YPZNQILYDMBAFT-UHFFFAOYSA-N 403.442 1.678 30 10 HDEE C#CCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 111045821 QXMKHPRERMBGAG-AWEZNQCLSA-N 420.350 1.345 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 111046143 LVZMHNUYDHWWNH-XJKSGUPXSA-N 413.337 1.749 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2cc(C#N)c(B3OC(C)(C)C(C)(C)O3)cn2)C1 309864900 LLGFNVDHWJBTFF-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@@H](C(=O)NCCc1ccc(I)s1)n1cnc(C#N)n1 409634781 YJWNJHUEXSMOLY-QMMMGPOBSA-N 401.233 1.736 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 410203328 GLNKNQYYQXYUQN-APWZRJJASA-N 420.535 1.829 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(CCO)CC3)nnc12 428842108 RTZSXJMBQRXUBB-UHFFFAOYSA-N 413.503 1.601 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 430388490 POJFSTGUBACVFP-QAPCUYQASA-N 403.479 1.406 30 10 HDEE C=CCN1C(=O)N(CCCN2CCC[C@H]2C(=O)N(C)C)C(=O)[C@H]1Cc1ccccc1 431148971 GEWJPKJYJRWNSD-VQTJNVASSA-N 412.534 1.991 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCc3nc[nH]c3C2)nn(-c2ccccc2)c1N 462343868 FXJUTXRHDSMYGY-AWEZNQCLSA-N 404.478 1.839 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCC[C@@H]3O)nnc12 464169379 NGEPGFICWFRAQL-CJNGLKHVSA-N 413.503 1.600 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H](O)Cc3cnn(C)c3)c(C#N)c2N)cc1 469216118 VKNCQXWXBISFMI-IBGZPJMESA-N 407.478 1.021 30 10 HDEE CC(C)(C)C(=O)C=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ncccn1 478246750 BAUMTSLJTXAKER-UHFFFAOYSA-N 410.524 1.906 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 486657664 YYHBVAVYSJYOPL-CPJLOUKISA-N 412.924 1.922 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(S(=O)(=O)NC(C)C)c2)cc1C#N 489106110 NGVFPCDZZBMCOO-UHFFFAOYSA-N 408.505 1.427 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 489914781 BBEIFRIJMWDKQA-YJBOKZPZSA-N 418.457 1.915 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 504702787 IZOBTLJTZWGDBU-QGZVFWFLSA-N 405.520 1.990 30 10 HDEE CS(=O)(=O)c1csc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 505653980 CLGYSZBWLOUWQN-OAHLLOKOSA-N 403.485 1.949 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCS(=O)(=O)NCc3ccccc3)CC2)c1 506354835 GTLAXEGESTVMIX-UHFFFAOYSA-N 401.463 1.965 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2c(F)cccc2N2CCCC2)CC1 509036762 BWSIGHRBSBSJHE-UHFFFAOYSA-N 403.502 1.555 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)CC1 514411599 FUKNVCLTRTUSFM-IBGZPJMESA-N 402.495 1.696 30 10 HDEE COc1ccnc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)n1 533287972 AOTYSCFHOAKYTL-UHFFFAOYSA-N 418.461 1.303 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 545284501 RVFDBFSYINDSPA-GJZGRUSLSA-N 418.519 1.644 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccnc(N4CCOCC4)c3)CC2)n1 545467151 SEMCSBSSNQMACU-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)N(C)C2CCN(c3cnccn3)CC2)CC1 553330356 HSHIPQBUVMTRHQ-UHFFFAOYSA-N 400.527 1.061 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 559023699 OQIVMOCQVNFODQ-MRXNPFEDSA-N 408.466 1.813 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 564378608 IQKLGJGZNSXVQI-INIZCTEOSA-N 410.544 1.563 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 566822355 HEJDDDIAYDWOTJ-HNNXBMFYSA-N 420.416 1.477 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 580765255 ABCWHVYTSIKYLC-SFHVURJKSA-N 420.535 1.596 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(-n2cccn2)n1 585477443 YMLPCLMVTYRUQR-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(N2CCOCC2)c1 586858783 GPHYJNRHTWYYST-UHFFFAOYSA-N 410.449 1.775 30 10 HDEE CN1CCN(CC2(C)CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586864819 HUCUVDMGCVVYJA-UHFFFAOYSA-N 415.513 1.190 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)CC1 604201628 COXFXOWGDLBKBS-NRFANRHFSA-N 413.566 1.843 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(Cn3ccccc3=O)cc2)cc1 608890742 VYJBCOSOWWFLNJ-UHFFFAOYSA-N 400.438 1.814 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)c(F)c1 609257075 REQLHJJLFKJYOS-UHFFFAOYSA-N 405.389 1.608 30 10 HDEE N#Cc1ccc(C(=O)NC[C@H](O)COc2ccc(I)cc2)cn1 609679691 BSULHJJARABEQD-AWEZNQCLSA-N 423.210 1.728 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 615306986 AOZXOHQKSNREIV-SFHVURJKSA-N 420.404 1.292 30 10 HDEE COc1ccc(CN(C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC(F)F 732465061 DFVRGZDYNQXNTP-WUKNDPDISA-N 424.404 1.964 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CCN1C1CC1 732664226 FWTRBYSPVUFKFQ-APWZRJJASA-N 406.490 1.614 30 10 HDEE CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C(F)(F)F)c1 732706316 MNJHDUYJMYMIGN-CQSZACIVSA-N 423.395 1.801 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CCCCN1C(=O)c2ccccc2C1=O 753599638 ULXUGQYMSRGQMO-CYBMUJFWSA-N 401.419 1.396 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2F)C1 760300906 KNTIHKDLXMOMOX-WFASDCNBSA-N 421.498 1.697 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1cc(F)cc(F)c1 767681472 RIBFCWKWKVVESW-NSHDSACASA-N 423.397 1.685 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cncs2)c1=O 767873449 UZUMOVPNXKKKPD-UHFFFAOYSA-N 403.529 1.665 30 10 HDEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)C1 774229511 CEHZZPASIVLLNX-VNHYZAJKSA-N 424.523 1.768 30 10 HDEE CN(C)C(=O)COc1ccccc1C(F)(F)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 778734024 XMSDWQCIVGHETM-HNNXBMFYSA-N 406.433 1.444 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)c1 782383274 UHUZJUDZJCJOSC-UHFFFAOYSA-N 415.490 1.773 30 10 HDEE C#CCN(C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)[C@H]1CCS(=O)(=O)C1 783100150 WQHRHQAXKWVQPA-AWEZNQCLSA-N 420.470 1.714 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n1 788819302 GUEFVVZHMWRECR-SFHVURJKSA-N 424.501 1.861 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(N3CCOC3=O)c2)n1 788892727 DEGDTAGIONPMNO-UHFFFAOYSA-N 411.462 1.831 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@@H](C=NNc2ccc(C(=O)O)cn2)C1 794525637 DOHCBGQCLDEZTF-ZDUSSCGKSA-N 405.455 1.941 30 10 HDEE CC(=NNCCOCC(F)(F)F)c1ccc(Br)c(S(N)(=O)=O)c1 797401401 JINSZIWZVYVRAJ-UHFFFAOYSA-N 418.235 1.989 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 802997647 HXYBELZPGIXISE-UHFFFAOYSA-N 405.476 1.657 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 809920862 FRIRSAZIWZMWNI-CABCVRRESA-N 404.471 1.501 30 10 HDEE C=CCn1c(C2CC2)nn(CN2CCCN(S(=O)(=O)N(C)C)CC2)c1=S 811788971 OERRBKCZNSRGDF-UHFFFAOYSA-N 400.574 1.249 30 10 HDEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1N/C(=N/C)NCCN1CCOCC1)O[C@H](C)C2 849097196 GMMLFOGJZFTVQV-AYBZRNKSSA-N 402.539 1.762 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cccnc3C#N)C2)ccn1 856543315 RRNLHVVXFQMFPJ-KRWDZBQOSA-N 401.492 1.642 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 1084335183 BMNBIIIDEZKENB-UHFFFAOYSA-N 401.412 1.623 30 10 HDEE Cc1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)ncc1C#N 1125200700 VXWSZDFQMBOKSO-OAQYLSRUSA-N 403.486 1.997 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CCOC[C@@H]2OC)c1 1125418777 MNNDGDGJKVXVFT-ICSRJNTNSA-N 400.475 1.301 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1126165670 PIZRCNPNAXZXPM-UHFFFAOYSA-N 411.446 1.512 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2=O)cn1 1127911982 SRCATOAIVVJFAR-QFBILLFUSA-N 420.473 1.347 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CC1 1137371376 MQRULYRUWFTJCV-UHFFFAOYSA-N 404.370 1.146 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1141568728 LLFZQNBYQZPYDC-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)c1 1144874577 OAANNTJYVOTXQW-UHFFFAOYSA-N 417.397 1.977 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC 1151603920 BIYFCMZPWYUHAB-GFCCVEGCSA-N 408.398 1.608 30 10 HDEE CC1=C(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)S(=O)(=O)CCO1 1154407976 AKYSNSVCXPKZLB-UHFFFAOYSA-N 403.460 1.885 30 10 HDEE Cn1c(=O)[nH]c(N2CCc3[nH]c4c(Br)cccc4c3C2)c(C#N)c1=O 1162250373 CQKHBIATMLYBIH-UHFFFAOYSA-N 400.236 1.752 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)c3cc(C(F)(F)F)nn3C)CC2)c1C#N 1190876897 DEBUUXATHKLNQS-UHFFFAOYSA-N 420.442 1.586 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@H](O)C4)C3)C2=O)cc1 1197600387 DCHHWLVOBITOMU-QCFAMHMHSA-N 410.518 1.795 30 10 HDEE Cc1ccc(NC(=O)CN2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCCCC1 1198211223 RBQWLZPYPJBHIG-FQEVSTJZSA-N 420.535 1.723 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3C)nn2C)CC1 1203089921 LVFDURAGEOAWTD-UHFFFAOYSA-N 416.507 1.013 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)oc2ccccc23)CC1 1212213946 PMHDROYZVJASOX-UHFFFAOYSA-N 411.483 1.642 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1253779025 IHPZLZFQZCJFOB-SJORKVTESA-N 422.526 1.278 30 10 HDEE N#Cc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1279004795 DRGYPOMNGYRDED-IBGZPJMESA-N 401.426 1.994 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286268907 BQUURMAVWXVUJI-XPIZARPCSA-N 403.527 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286271865 WFWYAXMKJKJSIO-OKZBNKHCSA-N 402.543 1.471 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1286275477 SHJHEFZXUBXYSX-CQSZACIVSA-N 412.885 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCS(=O)(=O)C(C)(C)C 1286277515 DKRSDFTUXWFYKO-HUUCEWRRSA-N 400.545 1.673 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)C)c1 1286309501 LGSLVYOWZLQQBR-MAUKXSAKSA-N 423.521 1.236 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286382131 RLYOAGIRJBQJEA-FMQUCBEESA-N 424.436 1.592 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1286479939 YHLMDDBSBJEXIF-OAQYLSRUSA-N 415.630 1.505 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C)n(C)c2=O)CC1 1286482511 UPKQZUVZRBFRCA-UHFFFAOYSA-N 417.517 1.075 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286568821 YNJZTDVZEQROQT-HLIPFELVSA-N 403.527 1.997 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1286756516 NMOYWEVIVQOSAR-FUHWJXTLSA-N 411.510 1.808 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CCO1 1286940829 DLBRBHOWXHRFGC-OAHLLOKOSA-N 408.384 1.720 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCc2ccc(OCC#N)cc2)C1=O 1292738211 YUCQTQPDINCFNB-KRWDZBQOSA-N 401.463 1.785 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1300181981 UOCWHCZJTQFVPC-SFHVURJKSA-N 415.490 1.974 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1300277092 WMKPDJGEGGLTQO-TZMCWYRMSA-N 408.300 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1300309992 WGEMONMPHCEKAR-XHSDSOJGSA-N 402.524 1.097 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300391879 HNCBGFLEBCLUJH-MRXNPFEDSA-N 402.886 1.748 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1300465300 LHXCSNOUFKWMHI-MRXNPFEDSA-N 407.540 1.261 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1300502670 VTUXHVRMLUSSNW-RTBURBONSA-N 418.563 1.983 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CCCN1CCN(c2ccncc2)CC1 1300545274 MOBAKNFHRTWUBM-UHFFFAOYSA-N 417.561 1.911 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1300559299 NWPHGCGLAGOXFF-FCHUYYIVSA-N 416.522 1.587 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(=O)(=O)CC)CC1 1300693366 XCZUTYKOBUTSOA-UHFFFAOYSA-N 421.954 1.788 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(N(C)C)cc2)CC1 1300697949 LKJUCOWFZXPLLO-HXUWFJFHSA-N 421.549 1.293 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2ccn(C)n2)CC1 1300732340 MIQPDHIWZVMDSW-GOSISDBHSA-N 411.510 1.072 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 1300768146 HUQZKXAFAKRZFH-UHFFFAOYSA-N 423.495 1.167 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1301287515 UMABSUPTBOOXET-MUUNZHRXSA-N 422.580 1.772 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2csc3ccccc23)CC1 1302924382 LLEKGGQKZQKLKR-UHFFFAOYSA-N 405.545 1.836 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCCC2)CCO1 1303001622 FRPGIOIRIPZJQL-AWEZNQCLSA-N 415.885 1.768 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1303447656 JMSSRRSVTCZDKH-AEFFLSMTSA-N 421.505 1.304 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)c1 1304633965 ZKACRHPEWIAAHE-HXUWFJFHSA-N 401.488 1.653 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1306854205 AMMKWUFOBQUTRZ-GXFFZTMASA-N 406.382 1.053 30 10 HDEE N#Cc1cc(N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)ncc1Br 1307225240 WQOQAXUELNXGEB-VTWZXRTESA-N 413.297 1.339 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NC2CCCCCC2)c1=O 1307379200 VJOOCMYGFXBOBJ-UHFFFAOYSA-N 404.467 1.062 30 10 HDEE C#CCN1CCN(C(=O)CN2[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@H]2C)CC1 1307880106 AAWOKDLOVXSCDS-OTWHNJEPSA-N 406.571 1.778 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1 1309509076 BVMXTRSFUNLJRQ-UHFFFAOYSA-N 417.439 1.750 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)F)CCOC1 1314139087 GIMZNJSPVBKMMA-SUMWQHHRSA-N 401.414 1.288 30 10 HDEE Cc1c(NC(=O)Cc2noc([C@@]3(C#N)CCCOC3)n2)c(=O)n(-c2ccccc2)n1C 1334072651 SMSWCMHRKIQGSU-OAQYLSRUSA-N 422.445 1.620 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(F)F)ncn2)c1 1357767223 MNEPJVAFRHXVTL-UHFFFAOYSA-N 400.385 1.901 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1358889974 JOMRFOCZSCCNNW-SJLPKXTDSA-N 417.535 1.426 30 10 HDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1358906995 ZWANQUSMCLCNTB-QGZVFWFLSA-N 412.450 1.608 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1358912075 IQXVJPXNLOKYEL-BBWFWOEESA-N 410.540 1.224 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1358929790 IDJVWHHXTWTKBR-XLSPSMHOSA-N 422.551 1.366 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1358962733 VKZYVSDEUWHNES-MRXNPFEDSA-N 403.508 1.825 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@@](C)(O)CCOC)CC1 1359034432 QLXNFEGGSFAABS-QHCPKHFHSA-N 422.533 1.969 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)CC1 1359178827 CRVZUAQDZXMCKI-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359226545 HQVHRHLVJTVSCC-SJORKVTESA-N 419.526 1.596 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1359280331 MVLHQLZGZRAFGT-NRFANRHFSA-N 401.511 1.659 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1359309648 ZPVFGTMYUNCTKA-KRWDZBQOSA-N 410.478 1.758 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)C1 1359319249 WANJUMLESDNOMS-WMZOPIPTSA-N 401.515 1.181 30 10 HDEE N#Cc1c(NC(=O)CC2(CC(=O)N3CCOCC3)CCCC2)nc2n1CCOC2 1440041793 BSEGBJZDAQXSAH-UHFFFAOYSA-N 401.467 1.423 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(=O)NCC(F)F 1448672271 KEGMETMHWPHLOA-KRWDZBQOSA-N 422.432 1.890 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 1462272892 QCWMSYACNMWRBA-MHWRWJLKSA-N 419.503 1.614 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1463852349 PABPRFMUFVRBSZ-NVXWUHKLSA-N 417.510 1.466 30 10 HDEE C#CCOc1cccc(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1465094603 MVGKWEDJRDQBLJ-UHFFFAOYSA-N 422.484 1.019 30 10 HDEE Cc1ccc(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)cc1B1OC(C)(C)C(C)(C)O1 1467285590 YVYNELBGIQLODW-OAHLLOKOSA-N 415.328 1.738 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OCC 1468124026 ALFWEYRIBVXJQS-CQSZACIVSA-N 415.537 1.380 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cs1 1470628569 KXFPOKQYEYPVLZ-UHFFFAOYSA-N 419.532 1.734 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1470662043 BYLSEWZQGXKWBH-AEFFLSMTSA-N 412.490 1.880 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4nccnn4)CC3)CC2)c1 1470672120 OWUZAGXLOOKXMV-UHFFFAOYSA-N 406.494 1.239 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1472224771 HJLRDFCWAMCLBP-UHFFFAOYSA-N 415.500 1.215 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCC#C[C@@H]1CCCCO1 1472321370 YMNGSXDGOLKWGM-INIZCTEOSA-N 422.503 1.205 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Br)nn1 1475413847 HRGRBCRIHFFZTO-UHFFFAOYSA-N 415.269 1.492 30 10 HDEE Cn1cc(CNC(=O)NC(C)(C)CNS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1478416854 CGXOSOCIRVPDEK-UHFFFAOYSA-N 404.496 1.086 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1479142809 QYTFMLVPTQGYJH-ZBFHGGJFSA-N 412.533 1.026 30 10 HDEE CN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503529008 QTLFANIJSMMDQE-UHHPSXQGSA-N 400.483 1.545 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1503667816 VQWGDPGEMXNMFS-UHFFFAOYSA-N 414.491 1.810 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCCC2)nnc1N1CCS(=O)CC1 1505355154 RROZMRLSASDNOG-FBMGVBCBSA-N 418.523 1.031 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507622133 GCRZBBOKSQRCET-MRXNPFEDSA-N 423.583 1.365 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(CC)C1 1507656972 MJAIVUCGQUIJGK-QGZVFWFLSA-N 410.547 1.684 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507723305 CQMXMEOJICOBFT-RTBURBONSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N(C)CC)CC1 1507732207 JYRRDTGQMCZXKJ-UHFFFAOYSA-N 424.549 1.653 30 10 HDEE C#CCSCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507758594 QFKKRJPGVKHWFP-FUHIMQAGSA-N 424.567 1.535 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1507821103 UILJYBZDKHYADA-MDCZIUGASA-N 412.556 1.513 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507947988 MTFBJWJPIIVSNV-QZTJIDSGSA-N 401.559 1.412 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(=O)NC)CC1 1508136081 PHAOGDWBZBAAPM-UHFFFAOYSA-N 418.523 1.007 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1 1508155763 QSZYSKRSMXUFBF-UHFFFAOYSA-N 409.537 1.494 30 10 HDEE CCc1nc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cs1 1513754692 JPSMVESTLKRDMD-CQSZACIVSA-N 401.496 1.196 30 10 HDEE CCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1515656033 IUTQRURULFAVPN-IGGDJGDASA-N 414.510 1.935 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1521062819 JYZTVBRKYGTOMX-LIRRHRJNSA-N 402.430 1.637 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2Cl)CCO1 1521136573 GTNQZMGFVCNLRZ-CYBMUJFWSA-N 418.860 1.970 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cnn1CCC#N 1522344381 IGOXJTWFIQFHDP-UHFFFAOYSA-N 423.445 1.530 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCSCC1 1524133946 SJCIWAXAIKBEPO-UHFFFAOYSA-N 424.504 1.465 30 10 HDEE CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1524606332 HRDLVZSXSZWJJP-LBPRGKRZSA-N 401.282 1.735 30 10 HDEE CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1526907826 AVELRRNUODNJCB-TZMCWYRMSA-N 409.895 1.458 30 10 HDEE CN(C(=O)c1cccc(C#N)c1Br)C1CCN(S(C)(=O)=O)CC1 1535066474 ASCNXFNGHIESAR-UHFFFAOYSA-N 400.298 1.817 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539120389 UOGZDVAQZORRTR-MSOLQXFVSA-N 406.552 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H](O)C1 1539323647 IBNFMYXOIOBKFR-RCCFBDPRSA-N 404.536 1.194 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1539372125 QVTQZDFIVWWHSC-UHFFFAOYSA-N 424.530 1.680 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)C1CCCCC1 1539413783 NZPMZKHLKPONJR-DYESRHJHSA-N 403.527 1.647 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCO2)CC1 1539430964 PYZXGIJXLXHMBX-GHTZIAJQSA-N 403.527 1.253 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1540153544 IDERMELKVXYKJN-FQEVSTJZSA-N 418.519 1.678 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1540883899 GQVXLVFQSWDJEZ-KURKYZTESA-N 409.556 1.572 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NC1CCCCC1 1541650442 BUKNMSOVSKGMTH-UHFFFAOYSA-N 415.542 1.995 30 10 HDEE CC(C)N1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1543736305 OHFCJPKUTQNOEU-AQZMIJIOSA-N 404.511 1.899 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1544402263 HRNHNMWIGHKOJV-LJQANCHMSA-N 408.433 1.886 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)n1 1556460900 HYVQXEDEGUWAIJ-UHFFFAOYSA-N 401.467 1.631 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(c2cccc(F)c2F)CC1 1556670878 LEGDKXFBHNXBSJ-FMQUCBEESA-N 404.417 1.920 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3NS(C)(=O)=O)cc2C1=O 1557539670 QECYBRFRSDKRED-HZPDHXFCSA-N 405.476 1.059 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cnc(OC)c(C#N)c2)c1 1558286034 WBLBZMHOJUVGQW-UHFFFAOYSA-N 404.448 1.447 30 10 HDEE C#CCC1(NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOCC1 1558418903 VDPKLAGWKFFFAR-HJWRWDBZSA-N 411.502 1.589 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCCC1 1558514571 QAKCYBLPHUJLOC-UHFFFAOYSA-N 412.533 1.211 30 10 HDEE C#CC1(O)CN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CCCC)C1 1558691779 RDEGJGYZFQSFDJ-UHFFFAOYSA-N 415.494 1.038 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1559947647 YQNRYRZRCZEYSC-QGZVFWFLSA-N 423.517 1.668 30 10 HDEE CS(=O)(=O)[C@@H]1CN([C@@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C(F)(F)F 1559995074 SCHPBRUICIOJRS-IJLUTSLNSA-N 407.439 1.632 30 10 HDEE C#CCN1CCN(C(=O)CN(C)C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 1560068428 PHQDENXJTQTKFD-KRWDZBQOSA-N 414.333 1.442 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1565173606 QFKARSJVVARNLW-NVXWUHKLSA-N 406.527 1.945 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@@H](C)N(C)C)c2c(C)cccc2C)C1=O 1584573488 KKNOCGLUSJRHSJ-MRXNPFEDSA-N 400.479 1.563 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1586085548 QVZLEUZMVLYLNC-IBGZPJMESA-N 418.475 1.322 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593878074 CSOXCQVOYONJSY-INIZCTEOSA-N 410.950 1.571 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCN2CCCS2(=O)=O)C1 1595743972 ICPAJZIKJCNQAK-SFHVURJKSA-N 423.583 1.828 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@H]3CCCC[C@@H]32)nnc1C(C)(C)C 1595831810 WTDSYEHSHSEWPZ-GJZGRUSLSA-N 409.556 1.424 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCc2c(CC#N)cccc2C1 1595930917 ZIGPXLFOCFDZKL-UHFFFAOYSA-N 421.501 1.911 30 10 HDEE C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 1597163044 HDOKZKMAYYQTED-SWLSCSKDSA-N 407.434 1.178 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nc1 1611667052 MHGDBMGEZLTGEZ-QGZVFWFLSA-N 424.486 1.206 30 10 HDEE C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1618411270 PRDPSZLKRQODOD-SPYBWZPUSA-N 413.540 1.999 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@H]2CCOC2)CCO1 1620356043 QXMMGOPISISGLJ-KZNAEPCWSA-N 405.499 1.692 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CCO1 1620356598 CVQPXTBVOHHIIC-UONOGXRCSA-N 422.287 1.518 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)OCC 1624302866 ANJKFWOZZRPGCW-ULQDDVLXSA-N 408.495 1.983 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 1628385839 GIUMWQMIUNXPDU-XAIYEJPOSA-N 406.446 1.150 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1)C(C)C 1628521573 UBBCTYSCAQNRRD-SFHVURJKSA-N 413.584 1.674 30 10 HDEE C#C[C@@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 1630460146 IVFWWEVKYFGBCJ-HXUWFJFHSA-N 419.547 1.815 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccccc2C#N)CC1 1631984419 KCTQDSRRROCFID-UHFFFAOYSA-N 402.451 1.616 30 10 HDEE COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1632997071 BOZZOPJBSMHBMJ-IAGOWNOFSA-N 403.284 1.433 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1634876340 LPRXKIZMMOQRIN-KRWDZBQOSA-N 408.543 1.162 30 10 HDEE COc1cc(OC)cc(N2C[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)c1 1635200719 LVHVVPLSNWNWTN-OAHLLOKOSA-N 413.430 1.492 30 10 HDEE CCN1CCC(N2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1639386202 FEESQYNMCGLTLP-HXUWFJFHSA-N 423.561 1.930 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)n1 1639991711 CJXOJZLGQWLPBF-OAQYLSRUSA-N 420.485 1.840 30 10 HDEE CNC(=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1640882646 APPJYZFDAQLMQE-LBPRGKRZSA-N 416.459 1.232 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cn1 1641661987 KDXFXMGBUIJBSN-UHFFFAOYSA-N 400.460 1.297 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2noc(C(F)F)n2)s1 1642311192 XHDVJVIMEKRJHS-QMMMGPOBSA-N 406.436 1.953 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC([C@H](O)c3cc(F)ccc3F)CC2)C1=O 1642474502 JKIBZPMAQOBLCV-KRWDZBQOSA-N 421.400 1.214 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1644325928 GYAGIRQINSBMHU-IBGZPJMESA-N 400.523 1.298 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1644942665 FBNFSNWZFNFLBH-GVDBMIGSSA-N 412.552 1.026 30 10 HDEE CN(C)CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1645039659 FPICODRRKJDXFI-SFHVURJKSA-N 401.492 1.041 30 10 HDEE Cc1ccc(C(=O)NCc2nc(C(N)=O)cs2)cc1B1OC(C)(C)C(C)(C)O1 1645665976 FCEKHOOKJMOROM-UHFFFAOYSA-N 401.297 1.780 30 10 HDEE COc1ccc(C(=O)CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1F 1648790336 FKEWEZQXZMMKBJ-UHFFFAOYSA-N 400.366 1.015 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1665329848 RNHGADYWWXUAAQ-MOPGFXCFSA-N 408.520 1.993 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCNC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1673839429 VXSRZHYHBWZLHA-PBHICJAKSA-N 404.492 1.109 30 10 HDEE C=CCN(C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1674719107 VLQBPGQRWOFZOU-MRXNPFEDSA-N 407.492 1.565 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCn2ncc(I)c2C1 1674888015 NUOHFPFLCKMVLV-LLVKDONJSA-N 402.236 1.441 30 10 HDEE CO[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1681857134 FAEPCXWCNUOPRE-MSOLQXFVSA-N 418.519 1.532 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 1682128180 UDOODHZASNLBLU-RDJZCZTQSA-N 419.323 1.951 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CCN(CCC#N)CC3)cc2)C1=O 1682489775 HJSSVCSAYCUAGT-JOCHJYFZSA-N 424.505 1.652 30 10 HDEE COc1ccc(CN2CC[C@H]2CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 1682849281 MCXICXWKLJBMOP-INIZCTEOSA-N 411.510 1.721 30 10 HDEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1684808243 VFRNATYIKAXOOZ-JOCQHMNTSA-N 419.463 1.213 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1687449794 LOQNEYSXGLSKDU-UHFFFAOYSA-N 420.539 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1689824151 JFGBRMYKPNTNDD-AWEZNQCLSA-N 421.461 1.844 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1689842914 LCBFDLKBBRCQKO-QGZVFWFLSA-N 405.506 1.439 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1689965782 CXOPCXXROOWHSC-LJQANCHMSA-N 424.530 1.543 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSC(F)(F)F 1690002137 ZVJLJFMGBGDGHB-LLVKDONJSA-N 409.459 1.214 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1690047134 LZEBFHLLVIAOQP-CQSZACIVSA-N 418.441 1.570 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1COCCO1 1690103993 JYXVQDOTZISPFO-QFBILLFUSA-N 414.462 1.292 30 10 HDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1690302634 HQSHYJNKLUNSJC-UHFFFAOYSA-N 423.315 1.907 30 10 HDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1690319762 XXDRXYHKQUPQQB-UHFFFAOYSA-N 415.494 1.785 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCCOC)C1 1690342347 JGUSMYLFOWMJGE-CYBMUJFWSA-N 409.874 2.000 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690747261 WZMXBDFPBKIQCD-HNNXBMFYSA-N 418.571 1.928 30 10 HDEE CC(C)(O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1691352951 OJOOPRSAVMPSPZ-GOSISDBHSA-N 424.505 1.405 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1692588037 YDCUFKNAGNCQLT-JRGCBEDISA-N 419.526 1.864 30 10 HDEE Cc1c(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)cnn1C 1692926950 LJJOYGMWXYTMKQ-UHFFFAOYSA-N 408.466 1.705 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1696477646 FIKNZRGUBUBQAQ-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1705538566 SYDGURFBFVLMEU-UHFFFAOYSA-N 400.527 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1C 1705572952 VAIWRWPANHBXBL-UHFFFAOYSA-N 402.462 1.397 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1705583066 PKIJDGVWRGXCDA-INIZCTEOSA-N 417.510 1.430 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cncn1 1705592547 ZFIGKIIKQCVCKP-UHFFFAOYSA-N 413.283 1.790 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1705637853 OJOQYEDFOGDAQJ-UYAOXDASSA-N 409.538 1.942 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705663231 ADEQWYAPAKPWPM-QGZVFWFLSA-N 419.576 1.638 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)CC1 1705792228 POTSUBFVRZOLLX-AWEZNQCLSA-N 416.569 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](OC)C1 1705895476 IDHVFZJTVCWYIL-MRXNPFEDSA-N 407.478 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCCCC[C@H]21 1705896989 DCZQAFVRUSMHBV-ARFHVFGLSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCCCO1 1705906194 WQRUJISLHWWTCU-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1705924209 UNXCJODXFUAJHI-INIZCTEOSA-N 412.556 1.198 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1706338403 ZDCSLOYCWZGYFY-KRWDZBQOSA-N 402.524 1.848 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1709784252 AZPIACMHQPTCOE-ZACQAIPSSA-N 401.515 1.222 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C[C@@H]1F 1712842051 BTGOZUZCJSJWBX-FYINFDKHSA-N 414.485 1.590 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1722286487 CQUUCMQHRIQUHW-OAHLLOKOSA-N 403.508 1.447 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1722296029 MXVSQAYIMUYDES-HOCLYGCPSA-N 423.564 1.487 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1722344412 IYURQUGYODTWFX-LSDHHAIUSA-N 403.508 1.524 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1snnc1C 1722423834 QRRLWBFBBBPSHA-UHFFFAOYSA-N 412.475 1.968 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2ccccc2)CC1 1722430173 ZQSFYLDDYRYJGE-UHFFFAOYSA-N 406.534 1.902 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1722457239 UWDPJGAPYQXPHU-CQSZACIVSA-N 413.503 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1722469415 BVMVQVNUSXNSSJ-HXUWFJFHSA-N 412.519 1.700 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1722611587 KKHRUHVRYGKBIU-UHFFFAOYSA-N 407.482 1.589 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722613546 ILQGLYIXTQIYFV-UHFFFAOYSA-N 407.544 1.410 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)COCCO1 1722667082 VWIDBTNSGCVHHC-OAQYLSRUSA-N 422.493 1.905 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Br 1722668538 ZUJMKKHNNMFXIF-LBPRGKRZSA-N 404.334 1.975 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1722672050 IVYLNPIZRKIQRQ-IRXDYDNUSA-N 409.556 1.079 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1722686942 ZKOVFDLPDVUJNG-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1722850270 DVFHAUXVRZNAQN-RDTXWAMCSA-N 416.457 1.812 30 10 HDEE C[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)COCCO1 1724015613 PEFZYRXDBRZUIJ-PMACEKPBSA-N 402.499 1.336 30 10 HDEE CCOCc1nnc(N2C[C@H](C)[C@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1728995062 FSUDEWIZFAQMGW-MAUKXSAKSA-N 400.483 1.484 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCCN2CCOCC2)c1 1731178581 BPBUZYGVGZMDGH-IBGZPJMESA-N 423.521 1.241 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740576151 SEPSWOWOCWUVGW-MOPGFXCFSA-N 415.538 1.803 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740595240 AZNXONXFTHOQJB-IBGZPJMESA-N 406.490 1.663 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1740623757 AJCGVQHZEBSYMC-INIZCTEOSA-N 419.938 1.954 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1740650883 QYPHXLZQGVHLDO-RBUKOAKNSA-N 424.501 1.965 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)OC 1740676925 CECFCDPRYSSCDH-LSDHHAIUSA-N 423.514 1.702 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCCCCO)CC1 1740704947 XONCEZKSNGHPOA-UHFFFAOYSA-N 410.522 1.859 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1740709501 HYYOQGIPPYBVJL-UHFFFAOYSA-N 418.567 1.329 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1740729599 IIYUFBBSEASULV-LAUBAEHRSA-N 400.527 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](SCC)C1 1740958650 SKDREAGTHGNTDB-CABCVRRESA-N 406.556 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1740985465 HYTBTARHWXWWSF-UHFFFAOYSA-N 408.528 1.147 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1743361519 CJDSAFJDUCENHG-HZPDHXFCSA-N 411.510 1.238 30 10 HDEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCOC1(C)C 1743379662 BVKAQGBERQXVNV-HNNXBMFYSA-N 412.494 1.821 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1744749627 ANDIPMGOILSIIE-IRXDYDNUSA-N 421.505 1.446 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(COC(C)(C)C)on1 1747219113 FSIBVZIZBIQQKW-INIZCTEOSA-N 404.471 1.895 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1748875229 OEMNLVUQPSVOFL-GOSISDBHSA-N 422.537 1.282 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1748930020 VWVWCLXLRUYODA-OAHLLOKOSA-N 405.499 1.571 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)OC 1748962915 UJOIQPNZICCOSH-KRWDZBQOSA-N 413.526 1.573 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1748978537 LYUJBOZNVKNGLE-UGKGYDQZSA-N 416.570 1.026 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1749066001 GADBNJMWXAFBOF-DNVCBOLYSA-N 421.523 1.015 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(N)=O)CC1 1749119711 VXENPVBMNDTTIJ-NXHRZFHOSA-N 421.542 1.685 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749189729 PFLLOHLVEQSAHX-QGZVFWFLSA-N 411.510 1.916 30 10 HDEE COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1749273341 IFOKXLQXVJHOSO-KDOFPFPSSA-N 412.560 1.691 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@@]1(OC(C)C)CCOC1 1749682090 OGNIYWMHCJVFKL-LAUBAEHRSA-N 421.542 1.484 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749925568 PYMCTQVIYUDMPB-QFPXGYFVSA-N 415.498 1.033 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCSCC1 1749952898 GGMSETGOSPLWEL-MAUKXSAKSA-N 412.535 1.493 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1750070694 UMUWPEPDOKNXRE-GJZGRUSLSA-N 415.498 1.322 30 10 HDEE COCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1750112553 XGOPMAZPHZBLMI-QGZVFWFLSA-N 405.430 1.388 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)C1 1750380664 WEONOJLGHPJRHP-KRWDZBQOSA-N 412.372 1.729 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1760160679 JRANXQKXERIVID-UHFFFAOYSA-N 400.874 1.425 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1760175438 JRQHSTMSYWUGDK-QGZVFWFLSA-N 402.520 1.809 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1nncn1C 1760241024 LZVPNUOGAAKFME-UHFFFAOYSA-N 403.425 1.691 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC=C 1760245385 AWNQBAPQRPQMHI-UHFFFAOYSA-N 404.474 1.882 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760508640 AZLUDHKRZVJJJZ-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1760524947 ONRBUGSSOUUASK-LJQANCHMSA-N 404.396 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]2CCC[C@H]21 1760549083 WGEXOZJXHLYDEG-JKSUJKDBSA-N 409.556 1.786 30 10 HDEE CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1766064894 GYXHACJWPISADC-HUUCEWRRSA-N 420.539 1.931 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1766089608 GUKVURKVLDDGGC-OAHLLOKOSA-N 414.466 1.073 30 10 HDEE CCCNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766230765 LZACYXNMVIPMLX-AEFFLSMTSA-N 415.542 1.265 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCOC)CCO1 1767707412 IMUJQONXZHQFGA-GOSISDBHSA-N 412.494 1.585 30 10 HDEE COC1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768193932 MMUCAZRGHBVNDN-VLGSPTGOSA-N 409.450 1.092 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)C1=O 1769054174 KKJARMPCWODTGY-HXUWFJFHSA-N 412.519 1.760 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1769094331 DYDSQNMTBNJAIU-QGZVFWFLSA-N 424.505 1.978 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1771136316 ONTHZSOLEWBAAM-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1771360904 GKXKLAHRYYUZTF-QAPCUYQASA-N 410.519 1.802 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1848878639 DHMLAHUVPHJUGT-UHFFFAOYSA-N 418.563 1.808 30 10 HDEE Cc1ccc(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 1849006183 LJFGGWMJAUOIQH-UHFFFAOYSA-N 404.414 1.411 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC2(CC1)C[C@@H]2C#N 1849222298 MRBWEHDMAPOEIY-SJORKVTESA-N 404.536 1.944 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1849305384 WJTQNWWMFFBWCW-UHFFFAOYSA-N 413.503 1.558 30 10 HDEE Cc1nn2c(C)c(C(=O)NCCN3CCN(c4ccccc4)CC3)cnc2c1C#N 1851382777 CNBMMYABNUWRKZ-UHFFFAOYSA-N 403.490 1.770 30 10 HDEE CN1CCN(c2nccc(=NC(=O)c3cccc([C@H](C#N)c4ccccc4)n3)[nH]2)CC1 1852163202 CHXLPFOQIOSUCU-GOSISDBHSA-N 413.485 1.953 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(C(=O)c2cnn3ccccc23)CC1 1852234234 UCPYYWBZFRZCOY-UHFFFAOYSA-N 419.441 1.578 30 10 HDEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1852347030 JGCCIEKLKUOIBF-AWEZNQCLSA-N 418.457 1.980 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(F)cc1 1852461506 FQTKISUCSAELQG-ZDUSSCGKSA-N 416.482 1.820 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccccc2F)C1=O 1853682561 MGJMDPGPYCSFRS-SJORKVTESA-N 403.454 1.441 30 10 HDEE Cc1ncn(CC(=O)N2C[C@@H](C3CCN([C@H](C)CCC#N)CC3)CC2=O)c(=O)c1C 1853935295 IMIHJYRJSBBIOS-BEFAXECRSA-N 413.522 1.640 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1854314479 YRJXRUZDCYQCJR-WMLDXEAASA-N 409.483 1.224 30 10 HDEE Cc1cc(N2CCN([C@H]3CCCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)ncn1 1854334574 NBVAWCCZIHOGIW-IBGZPJMESA-N 404.474 1.610 30 10 HDEE Cc1cc(N2CCN([C@@H]3CCCN(C(=O)c4ccnc(C#N)c4)C3=O)CC2)ncn1 1854340310 RLIVCTFPSFVYSG-GOSISDBHSA-N 405.462 1.005 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)[C@@H](C2CCOCC2)C1 1855034972 XOJKLVNRRCATKA-NHCUHLMSSA-N 410.518 1.732 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn(C(F)F)c2)CCN1CC(=O)c1ccc(C#N)cc1 1855123148 ZHGKAEPKSNEORM-LBPRGKRZSA-N 401.373 1.706 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3coc(C)n3)C3(CCCCC3)C2=O)CC1=O 1855175013 GXAGUVOWIXAKMB-KRWDZBQOSA-N 414.506 1.891 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(Cc3nc(C)no3)c3ccccc32)CC1=O 1856104756 OWJRHIJUVRRNAM-HNNXBMFYSA-N 409.446 1.682 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)Cc2ccccc2)C1)C1CN(c2nccnc2C#N)C1 1856266822 MCUDRMJVWWBTOX-QGZVFWFLSA-N 404.474 1.086 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CCN([C@@H](C)CCC#N)CC3=O)CC2=O)cc1 1856403833 CIWKTNBTMBCXAY-DLBZAZTESA-N 412.490 1.801 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(c4cncn4C)CC3)CC2=O)CC1=O 1856818676 BBDLMWYKEKNGTA-SJLPKXTDSA-N 413.522 1.009 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@H]1CCN(C)C1=O 1857248162 KYASCBKTGRWAQY-KUHUBIRLSA-N 403.442 1.956 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2cccnn2)CCN1CC(=O)c1ccc(C#N)cc1 1857499873 GKUUSSLEHNKNBQ-UHFFFAOYSA-N 407.430 1.059 30 10 HDEE Cc1nc2ccc(N3C[C@H](C(=O)N=c4[nH][nH]c(CC#N)c4C#N)CC3=O)cc2s1 1866256357 SBRLEDJXLBSJRZ-LLVKDONJSA-N 405.443 1.679 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866906709 WPPRCTVDTHNBMN-FQEVSTJZSA-N 408.458 1.053 30 10 HDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN(CCO)Cc1ccccc1 1870681601 GDIVALWIJKTLJC-UHFFFAOYSA-N 413.518 1.934 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488113 MQUMXIHGTNYYQC-UHFFFAOYSA-N 401.902 1.720 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccccc1C(=O)OC 1872633931 FACDMTMJZDLXBU-UHFFFAOYSA-N 414.418 1.617 30 10 HDEE C=CC1(O)CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 1881936162 ZFOYMCBIMMZFHZ-UHFFFAOYSA-N 412.103 1.715 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)CCOCC1 2118168601 SSVCIFJHLQHGIL-SQNIBIBYSA-N 419.503 1.636 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 2199870223 VBFXHUGEGKXBOR-LJQANCHMSA-N 400.541 1.895 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)C1 2241946453 IUNVJAJOOPRPRP-MRXNPFEDSA-N 415.446 1.825 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNOCc1ccccc1 2247816845 GPINMBFENNZPCI-UHFFFAOYSA-N 414.315 1.653 30 10 HDEE Cc1c(C(=O)NCCN(C)C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247917427 FASDIMDISMDBOH-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE Cc1nc(NC(=O)[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248420588 XCBPMORZZMROGD-TZMCWYRMSA-N 418.303 1.936 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2cscn2)OC1(C)C 2267410041 DCPHYVHHDAZQGB-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE CN(Cc1nncs1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267721352 FVTRGLKVGLXYLM-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281977270 MTOSWXZCSRBWAV-LBPRGKRZSA-N 401.359 1.989 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2CCO)sc1B1OC(C)(C)C(C)(C)O1 2282323825 HOVLLJMRPVRIDU-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE CON([C@@H]1CCOC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282326669 WHSXEALILPFYNS-GFCCVEGCSA-N 403.331 1.697 30 10 HDEE C[C@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502857 QPKJJPDEIBSDFD-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503280 XQOSSGIZEOETQS-SNVBAGLBSA-N 403.693 1.479 30 10 HDEE Cc1c(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593981 YAAALRMEYUYMFE-CQSZACIVSA-N 405.304 1.253 30 10 HDEE CC1(C2CCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)CC2)OCCO1 2282702236 FOPUHLPNNCWPHF-UHFFFAOYSA-N 403.288 1.391 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(C)C(C)C 2282829528 GERPPMKOHOFQTC-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@](C)(CN)C2)OC1(C)C 2282837210 CEQQRRHSWQXTKS-QGZVFWFLSA-N 400.375 1.548 30 10 HDEE CN(C[C@@H]1COCCO1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850712 SCQSCHWUYHTUQX-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2CC[C@H](N)C2)OC1(C)C 2282854790 VZDXLVSHIYUXAG-STQMWFEESA-N 400.375 1.843 30 10 HDEE C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282881860 DFXKMURBSGHKOZ-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CCN(CCC(=O)OC)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282885116 XYLQEKZBUYBQCP-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CSc1ncc(Cl)c(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)n1 2284065691 KQTSSTIHOQAZND-UHFFFAOYSA-N 413.721 1.677 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC(=O)O)C2CC2)OC1(C)C 2284395181 IMGFFIGJBBSCSP-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE C=C(CS(=O)(=O)N1[C@H](C(=O)O)CS[C@@H]1C(C)C)B1OC(C)(C)C(C)(C)O1 2284414569 IQTPGUAVJKXPFR-QWHCGFSZSA-N 405.347 1.988 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C(=C(C)NCCO)C(=O)C[C@H]1C)C2=O 2297679929 RMMXBVANXPAOLB-YBYGRFCBSA-N 423.849 1.705 30 10 HDEE O=c1c(Br)c(NN=Cc2cccnc2)cnn1[C@H]1CCS(=O)(=O)C1 2322659609 BCXLKNDYKGCKMR-NSHDSACASA-N 412.269 1.206 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccccn1 2330794441 TVVVEBKCSNPYHB-UHFFFAOYSA-N 423.502 1.600 30 10 HDEE C#CCN(C(=O)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2360589380 WGFYNSAHMVMLHJ-KGLIPLIRSA-N 420.468 1.151 30 10 HDEE CN(CC[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O)C(=O)OC(C)(C)C 2367791871 YVIAQLNNTLRPHT-QGZVFWFLSA-N 403.497 1.684 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367792617 QCJGHHMDBQORQA-OAGGEKHMSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367797314 UMEWEWIRMXDLEY-HZPDHXFCSA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367818538 VUBXLBXCKDQWSC-RDTXWAMCSA-N 402.557 1.599 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254705329 DOEPLKHAOBWGLS-UONOGXRCSA-N 410.473 1.355 30 10 HDEE O=S(=O)(c1ccc(NC(=S)NN=Cc2ccncc2)cc1)N1CCOCC1 254759899 QNAXKOLJDDGPOP-UHFFFAOYSA-N 405.505 1.423 30 10 HDEE COc1ccc(C)cc1N1C(=NC(=O)CCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 254866449 IRLJJDBCLKVADP-OCCSQVGLSA-N 412.489 1.470 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 409488116 XVALDBJJPDKFRX-WBVHZDCISA-N 414.915 1.308 30 10 HDEE Cc1c(C#N)c(NC(=O)CCN2CCN(CCO)[C@@H](C)C2)n(Cc2ccco2)c1C 426491279 GZBSQRCRWNGWSP-INIZCTEOSA-N 413.522 1.945 30 10 HDEE CC(C)(C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433592548 SYTKKMPRCFSJOP-UHFFFAOYSA-N 407.492 1.513 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 438893419 CFFXTTJGMVVLTO-UHFFFAOYSA-N 405.501 1.879 30 10 HDEE CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc21 443321351 QJWNMEOLNVIXIS-UHFFFAOYSA-N 413.478 1.541 30 10 HDEE CCOC(=O)c1c(NC(=O)NCc2nnc3ccccn23)c(C#N)cn1CCOC 460110665 MSJXJTMYRUMYPC-UHFFFAOYSA-N 411.422 1.547 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 465403070 JSGNZIPWTOWTRB-INIZCTEOSA-N 411.487 1.729 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 467615082 MMBXYOYIOCWNHJ-UHFFFAOYSA-N 409.450 1.396 30 10 HDEE C=C(C)C[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)CC(=C)C)CC1 469108554 ZPXNSENMLREOCI-ROUUACIJSA-N 413.584 1.781 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 475781294 MVDGZWBWNFVXJZ-KRWDZBQOSA-N 418.457 1.513 30 10 HDEE Cc1ccccc1CC(=O)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 477028128 MSSCGKBTWDGJAM-NRFANRHFSA-N 416.481 1.886 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@H](C)C3)cc2C1=O 497475090 PMLQGVZNMZWRPT-OXQOHEQNSA-N 410.518 1.567 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CC(F)F)CC3)C2=O)cc1 505420985 KBHONDFZHIFQSA-HNNXBMFYSA-N 405.405 1.173 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2C)CC1 508604979 XUZOOQKTDBJASM-UHFFFAOYSA-N 406.494 1.296 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 508657005 DFTJLWPVPYDRSM-RTBURBONSA-N 421.567 1.349 30 10 HDEE C=CCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508734888 UBNGYYKVKWNRRL-UHFFFAOYSA-N 414.485 1.251 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508923490 UZWLJCRIGAQETG-OAHLLOKOSA-N 400.545 1.982 30 10 HDEE CSc1nc2nc(C)c(CC(=O)N3CCN(c4ncccc4C#N)CC3)c(C)n2n1 514355604 ZJZJMIVTJVRSMB-UHFFFAOYSA-N 422.518 1.621 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1cc(C#N)c(SC)nc1O)Oc1ccc(F)cc1 534106431 PSZKWCUDZMJNFZ-CQSZACIVSA-N 405.407 1.870 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)co1 535162544 RGSCHFDUEIPESM-AWEZNQCLSA-N 420.472 1.213 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccccc3)[C@H]3CCOC3)CC2)o1 537095799 QFPMTDQJYWPLGL-RXVVDRJESA-N 409.490 1.871 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 553698338 QHDAKWNLDMQTRZ-GOSISDBHSA-N 405.458 1.612 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@](COC)(C(=O)OCC)C1 570809032 HBQPZSAIHSWIEE-OXJNMPFZSA-N 408.499 1.738 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 573412209 GABGFSJAYBGNDL-INIZCTEOSA-N 414.487 1.240 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 582094983 UGIQSXAOEBZPSG-UHFFFAOYSA-N 417.472 1.733 30 10 HDEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(N)=O)C1 583037446 ULRMPZSUVLQTFA-AWEZNQCLSA-N 406.284 1.974 30 10 HDEE CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc21 586310450 XDQARJAWZVLYDM-OIJAAMDRSA-N 405.476 1.124 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 611548433 WRAASNRGNXBAGZ-KRWDZBQOSA-N 417.462 1.112 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 612325166 JURDEMWFGKJKEK-UHFFFAOYSA-N 413.438 1.688 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 728536175 NFHLMVMAFYQWIG-DKRLNXSXSA-N 411.502 1.316 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1CC)[C@@H]1CCS(=O)(=O)C1 729331144 KAOZRHUFXBXZSK-CYBMUJFWSA-N 408.505 1.299 30 10 HDEE O=C(CNC(=O)CC12CC3CC(CC(C3)C1)C2)NCCN/C(O)=C1\N=CC=CC1=O 731862577 HMDOKAKSBKXWGW-QZQOTICOSA-N 414.506 1.352 30 10 HDEE N#C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732651665 FDXOIFDVQVCBBI-LJQANCHMSA-N 416.547 1.602 30 10 HDEE C=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224370 BEOVMGNLTWQNLE-INIZCTEOSA-N 404.492 1.601 30 10 HDEE C[C@H]1CN(c2ccc(CNc3cccc(S(N)(=O)=O)c3C#N)cn2)C[C@@H](C)O1 754980749 VALFGXKZEKOYBH-OKILXGFUSA-N 401.492 1.826 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)C1 757585745 AHGFKSBCKLQGMR-XHSDSOJGSA-N 422.551 1.953 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 758058451 LEKUAHIGUWQASY-UHFFFAOYSA-N 419.506 1.113 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C[C@@H]1CCCO1 760377379 KITPXRFTFXIGOJ-SFHVURJKSA-N 403.467 1.301 30 10 HDEE COc1cccc(OCCN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 765574062 BTUMKIZFJMEDNY-UHFFFAOYSA-N 416.503 1.415 30 10 HDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cccc3cnccc23)c1=O 782920017 ZKXCSUGACXYVLE-UHFFFAOYSA-N 407.495 1.833 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(OC)c3)cc2C1=O 785122598 DZXHBJHZWNLBIK-UHFFFAOYSA-N 414.439 1.737 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OC[C@@H]3CCCN(S(C)(=O)=O)C3)cc2C1=O 786480256 PPXNNESFSOFIOJ-CYBMUJFWSA-N 406.460 1.297 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(CN3CCCC3=O)cc2)cc1C#N 787435395 XBBBPTFEAKZFAN-UHFFFAOYSA-N 420.469 1.622 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)/C(C)=C/CC)n1 790108706 BRGKXDZFMYDNKR-ROBMAMTRSA-N 404.536 1.749 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(C2CCCCC2)c1C 790736313 FJWNSFLJKBWIRQ-UHFFFAOYSA-N 416.478 1.822 30 10 HDEE C=CC[C@@]1(C(=O)Nc2cnn(CC(=O)NCCO)c2)CCCN1C(=O)OC(C)(C)C 790847966 DYHYVYHFHBXYSH-FQEVSTJZSA-N 421.498 1.276 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2)s1 791395211 KMOIIOUGAQRVMK-UHFFFAOYSA-N 406.485 1.257 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1=O 798465632 FKIXLFZMORJSGG-ZDUSSCGKSA-N 405.398 1.595 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc(Br)c1F 798860426 ADUWBNDQWYFSBR-MRVPVSSYSA-N 416.232 1.426 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C1 809846679 LMRUSUOCZOJGRB-MRXNPFEDSA-N 412.556 1.637 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 917042201 XCRTVAZNNSKKCC-ZBFHGGJFSA-N 422.507 1.460 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cs1)C(N)=O 1129493086 GGFBCRVIGPRBNN-SECBINFHSA-N 401.473 1.508 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2nc(C(=O)OCC)co2)ccc1F 1129578968 WQVZHPRUZIMUIS-UHFFFAOYSA-N 411.411 1.731 30 10 HDEE C=CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 1136819919 HQKJQRGKLAQHCG-DLBZAZTESA-N 409.895 1.808 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)nc1C 1144387959 ZUXFFMXJIBWGFY-VXGBXAGGSA-N 408.553 1.968 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cccn(CC(F)(F)F)c2=O)C1 1153867256 ZVJRATPZTAFNTJ-YPMHNXCESA-N 414.384 1.899 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(C(=O)OC)nn1 1157660024 JPCUZUBTGXZVGN-LLVKDONJSA-N 401.851 1.217 30 10 HDEE C#CCN(CC(=O)N1Cc2cc(O)ccc2C[C@H]1C(=O)OC)C(=O)OC(C)(C)C 1159666978 RGQUTOBWCAVNFG-KRWDZBQOSA-N 402.447 1.689 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](O)[C@@H](O)C2)n(Cc2ccc(F)cc2)c1C 1175411398 RNAQDZJJSZIYGL-MOPGFXCFSA-N 400.454 1.530 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@@](O)(C(N)=O)c1ccccc1 1188466071 OOOZDOKEVSFDBJ-NRFANRHFSA-N 415.563 1.958 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1 1211230963 VSZGIGLYOZBAQU-LBPRGKRZSA-N 401.286 1.766 30 10 HDEE C#CCN(C(=O)NC1CCN(CC(=O)Nc2ccccc2)CC1)C1CCN(C)CC1 1222867451 LXAGIUAZUGGULK-UHFFFAOYSA-N 411.550 1.829 30 10 HDEE C#CCCN(CCOC)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1248552143 GXOGSRYOMSNUPX-GOSISDBHSA-N 403.479 1.486 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc3c(n2)OCCO3)cc1 1264644787 GDGAVAGRXYVEGE-OQKWZONESA-N 416.459 1.918 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3sccc3CC#N)CC2)c1 1265256613 DMRTXKZLCFCHQR-UHFFFAOYSA-N 417.512 1.816 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1286277504 DKRMHUNQHBXYFY-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1286395006 YOMVZGBGCKQJOY-CQSZACIVSA-N 413.341 1.766 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1286401348 QCRLEVQJRKUDAP-KNQAVFIVSA-N 413.522 1.262 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(C)(=O)=O 1286427868 ODVFDDMBWOQJCQ-SFHVURJKSA-N 414.487 1.298 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1286433077 JTHTVSYVZHIDGJ-UHFFFAOYSA-N 406.494 1.813 30 10 HDEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286682041 BDFFNOSBTJFNKT-GOSISDBHSA-N 419.489 1.320 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)S[C@@H](C)C1 1286781629 VXZSJVVEJJXFAA-KBPBESRZSA-N 415.523 1.558 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1286796014 HINHSYDVSHGTDJ-WMZOPIPTSA-N 424.505 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCc2c(ccnc2N(C)C)C1 1286821145 BINPIEYBPMNOLQ-UHFFFAOYSA-N 404.540 1.465 30 10 HDEE C#CCC1(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CCOCC1 1288973419 GDXKUJXDDMKULD-UHFFFAOYSA-N 403.504 1.536 30 10 HDEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCOCCS(C)(=O)=O 1290759929 DMIMHADGALMQGQ-UHFFFAOYSA-N 415.519 1.813 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCCC2)c(=O)nc1O 1290875238 IFZRJRIFMOPAMH-KRWDZBQOSA-N 415.881 1.817 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1291428630 AIHVPZLRGZJUDH-LSDHHAIUSA-N 411.510 1.793 30 10 HDEE C[C@@H]([C@@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCOCC1 1293144719 JWHWOIPHQCLIKH-KGLIPLIRSA-N 421.339 1.982 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1296167092 KQMRLJJBTLFUQY-TUVASFSCSA-N 424.498 1.544 30 10 HDEE C=C[C@@H](COC)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1296764665 ANSQWSHIQDBGSR-VBKZILBWSA-N 414.499 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[S@@](=O)CC 1300512554 XRRDWGYRUAJLBD-NDEPHWFRSA-N 400.504 1.804 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1300534806 FJOWUCYLOXKADW-FQEVSTJZSA-N 411.550 1.890 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCC#C[Si](C)(C)C)cc1 1300588068 DIFLTHSTYILAKV-UHFFFAOYSA-N 410.568 1.529 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1300595628 PJBRITUYZSWWBO-WZONZLPQSA-N 424.501 1.869 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1300635023 AHJITXHYLYIUNS-UHFFFAOYSA-N 403.508 1.271 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1300665471 JVYRNMHHBZHFHC-GOSISDBHSA-N 424.505 1.054 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCC 1300671732 NYWAZLPPCRFHSU-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OCC)c2ccccc2)CC1 1300698618 WGERUQMVZYWXNJ-WOJBJXKFSA-N 422.533 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1300727005 UBQKJGPDRIGNDC-HDICACEKSA-N 416.570 1.306 30 10 HDEE C=CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1301187143 QQACBJJJVJRHFN-UHFFFAOYSA-N 410.526 1.745 30 10 HDEE C[C@H](c1ccccc1)[C@H](O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1301354173 LMCDBSZBOVNVFD-CRAIPNDOSA-N 415.515 1.786 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H](C)O1 1301358486 CCDLUVNCHWKPJM-KXBFYZLASA-N 412.494 1.583 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCNC(=O)C1)C(C)C 1301371554 QGCRBNKFULKOBC-QZTJIDSGSA-N 402.543 1.764 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(OC)C1 1301520765 OKWBXLWWJGUQGM-KNBMTAEXSA-N 407.515 1.310 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([C@]3(C)COC(=O)N3)c2)cc1 1303124874 JRWQDZPJEFVAPX-FQEVSTJZSA-N 413.455 1.805 30 10 HDEE CCN1CCN(C2CN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)C2)CC1 1304054307 MYNRISIPAFMPEY-UHFFFAOYSA-N 413.371 1.756 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NOCCCC(=O)OC 1304129128 DGCLVDKEYUQGKM-AWEZNQCLSA-N 411.480 1.285 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1OC 1304847001 GFWAXOKVSYUGDJ-KIUVSXKZSA-N 404.463 1.839 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1312625745 KJKCMXJOAAWYPP-CHWSQXEVSA-N 420.338 1.517 30 10 HDEE CCCNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1313482972 CIIJLUNZLIIZBV-QGZVFWFLSA-N 400.458 1.653 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1313491312 DSYVHYCUSKBXOL-ZWKOTPCHSA-N 421.505 1.400 30 10 HDEE CCOCc1nnc(N2CCC(NC(=O)COC)CC2)n1Cc1ccc(C#N)o1 1314349495 NFOPBYQQWYXBAZ-UHFFFAOYSA-N 402.455 1.059 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1-c1cnn(C)c1 1314403353 GTKOTIQSBQYDNU-GOSISDBHSA-N 407.478 1.992 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1)OC 1315803010 BZSGLRUIMYBFFX-HNNXBMFYSA-N 416.482 1.797 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)nc1 1316286126 ZBFPFNKJNJZNEX-RIFZZMRRSA-N 416.457 1.896 30 10 HDEE CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1316460677 YLIUDCDNZGYONW-AWEZNQCLSA-N 401.496 1.797 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1316536102 BZJFSHKIUJIOKW-KRWDZBQOSA-N 417.539 1.597 30 10 HDEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@@H]2CCOC2)[n+]2cc(O)ccc2C)c1 1324298294 LVJKIGUFYAZNDH-ZDUSSCGKSA-O 419.479 1.933 30 10 HDEE COc1ccc(NC(=O)c2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 1349532366 GQYUMJYWCDNSHG-UHFFFAOYSA-N 419.434 1.979 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1358969092 GSEPUKHCFDCIOW-CQSZACIVSA-N 418.548 1.126 30 10 HDEE C#CCN(CCOC)c1nnc(CSc2ccc(C)cc2)n1Cc1nnn(C)n1 1359026685 HPCQNERZTDMDTO-UHFFFAOYSA-N 412.523 1.537 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCCNC(C)=O)CC1 1359038558 AGDOWZJEBXQWTD-UHFFFAOYSA-N 424.549 1.701 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccc2)CC1 1359298251 SJSXFFKFEVBCER-UHFFFAOYSA-N 403.490 1.969 30 10 HDEE CO[C@]1(C(=O)Oc2ccc(C#N)cc2I)CCS(=O)(=O)C1 1436074514 UYZBWDMUMBSGBY-CYBMUJFWSA-N 421.212 1.272 30 10 HDEE CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1439198275 BOHRJQAKXDJTPI-SJLPKXTDSA-N 422.503 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)=NO2)C1 1448499964 DXBFPLKBSGWFFZ-UHFFFAOYSA-N 404.423 1.188 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCN2CCCO)cc1B1OC(C)(C)C(C)(C)O1 1450064679 IFQWXXYOOXDXIT-SFHVURJKSA-N 402.344 1.871 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCCN(O)C2=O)cc(C)c1OCC(=O)N1CCCCC1 1450275653 YUQAJHIRBYMJQB-KRWDZBQOSA-N 403.479 1.805 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@H](O)[C@@H](CO)C2)CC1 1451608122 BHBVMDCQHYOMKK-ZBFHGGJFSA-N 400.435 1.224 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@@H]3Cc4c(Cl)cccc4[C@@H]32)c1 1457976622 YLJDIYHURGJAHP-AYOQOUSVSA-N 401.875 1.944 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCO1 1463088352 IVNUCLWYWKHFMO-ZDUSSCGKSA-N 401.160 1.954 30 10 HDEE CC(C)C(=O)NCCN(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1463457483 FYFIBVJOVYEQBU-UHFFFAOYSA-N 406.277 1.853 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)/C=C/C(=O)c3ccc(C)cc3)C2)cc1 1466549988 RRZZXUXLUWUTFB-VAWYXSNFSA-N 414.483 1.932 30 10 HDEE CCS(=O)(=O)N1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 1466561472 IXUKMFWDNYJFLL-UHFFFAOYSA-N 400.298 1.865 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1467281626 DMFVKBYVCXUAJD-SNVBAGLBSA-N 409.240 1.779 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1469816085 ZHJJBGOSHFIYSZ-XJKSGUPXSA-N 423.307 1.807 30 10 HDEE O=C(NCC[S@](=O)CC(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1470775572 JZIWCWFXTMYXKU-VWLOTQADSA-N 401.348 1.525 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1471718081 NDJILWFXIQMQPP-UHFFFAOYSA-N 416.283 1.534 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C#N)o1 1505071764 FLTMJDUZHJGKSJ-IYJAJMOOSA-N 400.414 1.957 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1507634274 YGFIMRRMVSCDPU-IRXDYDNUSA-N 424.567 1.698 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1507713340 GQELUWGVYKKIKI-RBUKOAKNSA-N 424.505 1.143 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507751787 QYZQHNMNQPBRJG-LSDHHAIUSA-N 404.496 1.418 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1507792357 YILGJLVOZZTPBM-UXLLHSPISA-N 404.515 1.064 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507830026 SPKQGUOAGUBTIW-QGZVFWFLSA-N 412.469 1.793 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F)C1CC1 1507993024 MUNUXHMLZWHRAB-ZDUSSCGKSA-N 421.489 1.829 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCC2)C1 1508086505 MAGAWNHOZZEIRM-HNNXBMFYSA-N 402.499 1.071 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1508088533 SQOYWVJGCPXDBT-QZTJIDSGSA-N 424.505 1.327 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(OC)CCOC2)C1 1508109276 PWBVUJHMNRIZAO-OXJNMPFZSA-N 405.499 1.101 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCSC2)C1 1508118092 WMPLPAGAUYOYGP-NSISKUIASA-N 424.567 1.580 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1508167144 IBEPKMAROAABFK-UHFFFAOYSA-N 420.583 1.768 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(CC)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513034958 GQEJOHYKWSGARU-SKOAFDGASA-N 415.542 1.848 30 10 HDEE COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1518401444 CZSAJFLOMLUJHY-QGZVFWFLSA-N 419.445 1.711 30 10 HDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1518871029 BNCJTTBBFXWQEY-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE COCCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1519082931 TWUHZMYOXIXLHG-UHFFFAOYSA-N 400.531 1.852 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1=O 1519206179 IKSKKGHVYYTWBJ-IBGZPJMESA-N 422.489 1.457 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)n1 1531363614 IBDOURGMFNGYSO-UHFFFAOYSA-N 403.414 1.918 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC(=O)N2C(C)(C)C)cn1 1538588633 GWUZEADDAXSZQO-IEBWSBKVSA-N 414.506 1.973 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1539257826 OFRLWAJAGDNGIJ-HXUWFJFHSA-N 414.535 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539414826 ZLHOPJRYIRSANM-INIZCTEOSA-N 415.460 1.895 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@H]2COCCO2)CC1 1539436372 PYHRFUSABXKHTH-MRXNPFEDSA-N 419.888 1.908 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1539441862 XJZXXOQISUDGCK-HXUWFJFHSA-N 406.490 1.377 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCCO1 1539557102 ZALVVKXJTCFLTJ-CSODHUTKSA-N 401.511 1.807 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1539702374 CPXAOYZKQKEHJU-IERDGZPVSA-N 407.511 1.389 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1539973698 BXOHGEDBNLIFGF-UHFFFAOYSA-N 421.571 1.578 30 10 HDEE C#CCN(CC(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1)C(=O)OC(C)(C)C 1540559423 XOXYHMVWVNQKOL-QGZVFWFLSA-N 405.495 1.948 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540872195 GRUDMRIVCGZGGX-CVEARBPZSA-N 415.425 1.424 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1540877687 CABWQTIOYCKKPV-MSOLQXFVSA-N 408.462 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540897562 MQFZFPYTQKMCSL-DLBZAZTESA-N 423.583 1.984 30 10 HDEE CC(C)N1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1543736331 OHFCJPKUTQNOEU-WZHMAMEKSA-N 404.511 1.899 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CC2)c1C#N 1544881504 DULVCHAYKGLDBG-NRFANRHFSA-N 409.515 1.820 30 10 HDEE C[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)N(C)C 1545205438 RKVBFSOJAHTKOP-CXAGYDPISA-N 400.479 1.985 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1545310311 QEOHPXUUCVBPSR-UONOGXRCSA-N 407.471 1.068 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1546794213 UFLOYJZSZLEBSK-JEVUSQKCSA-N 422.555 1.707 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2conc2COC)CCOC1 1547854235 LTYSWSGUCYLMSY-AUUYWEPGSA-N 404.471 1.851 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367894 UWXITRLPOFTAIN-MRXNPFEDSA-N 420.395 1.388 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1555698556 BVAXOYXOHMLNPC-IBGZPJMESA-N 422.493 1.740 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OCC 1556642142 AXQXQYSMNVOUOM-OAHLLOKOSA-N 406.460 1.621 30 10 HDEE C#CCN(C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C1CSC1 1557439412 YYMCDVFWZPLOQF-UHFFFAOYSA-N 400.547 1.023 30 10 HDEE CCOc1ccccc1CN(CCCn1ccnc1)c1[nH]c(=O)n(C)c(=O)c1C#N 1559134644 DDHJRSKDTMVJCH-UHFFFAOYSA-N 408.462 1.637 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)OCC 1561828273 JACAVFJMTQAONF-AWEZNQCLSA-N 409.913 1.584 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2cc(C(F)(F)F)ccn2)CC1 1561897936 ATHNHTQFWAFDLQ-UHFFFAOYSA-N 421.445 1.329 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1565163694 MNUSAFAXZGQQNB-GOSISDBHSA-N 402.495 1.269 30 10 HDEE C=CCOC[C@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)C(=O)OC 1568154682 OQAPBOOZXHSVMK-CABCVRRESA-N 400.472 1.263 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)[C@@](C)(O)c2ccccc2)cc1S(=O)(=O)NCC#N 1583462233 DYRZVEDREBIZRV-FOIQADDNSA-N 401.488 1.823 30 10 HDEE CN(C(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)c1cc(C#N)ccn1 1585244880 WHLRNZIGPWGNCQ-UHFFFAOYSA-N 400.398 1.760 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)OC)c2ccccc2)s1 1586515571 ZGWINIQZRITZAZ-UHFFFAOYSA-N 408.501 1.961 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1587160755 FYMOTPUCIROUHZ-CBGDNZLLSA-N 403.479 1.385 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2o1 1587909710 RGQYJLBWOXARRY-AWEZNQCLSA-N 401.492 1.947 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1588054560 OFYLTYRVNHNOIZ-GPMSIDNRSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588058747 BQGRGRBULMLYRS-LJQANCHMSA-N 416.547 1.841 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588064280 FJUMQZPYXCJIRV-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1593746768 MOOFSBYTCRIGPG-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1593907955 DKRBVOROJSFVJB-GFCCVEGCSA-N 408.915 1.724 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1595501402 SBEPKEYJWVCIOC-CQSZACIVSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]1c1nncn1C 1595555775 GXAUEAGZWNWJPO-INIZCTEOSA-N 407.482 1.036 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1596549501 MBUDVUSIBYZNGM-WMLDXEAASA-N 411.466 1.095 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)CC#N 1610304482 DAJUVXBEZUHVKK-OAHLLOKOSA-N 405.528 1.330 30 10 HDEE C[C@@H]1CN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1610963016 IORSENVYVGUNLR-HRXNXTQESA-N 406.527 1.610 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCN(C)CC1 1611145025 GGVZUDGZUWLJQV-UHFFFAOYSA-N 421.538 1.782 30 10 HDEE C[C@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCOC1(C)C 1613020961 BNFJALAYFYPCNA-CQSZACIVSA-N 403.508 1.865 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1615323440 UXQSRFLWNMSZDB-SJORKVTESA-N 404.515 1.549 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1618487420 DHKRQSMEXMBKPU-GCJKJVERSA-N 415.586 1.938 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1618534637 CDZGMBGIIHHZLB-CQSZACIVSA-N 409.494 1.161 30 10 HDEE CN(CCC#N)C(=O)CCN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1618740246 BPHMTQHQWVRHET-DLBZAZTESA-N 404.515 1.475 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1620054399 JBWSEVGGDDTNHO-GCJKJVERSA-N 424.505 1.537 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1620346980 LEQBBCGVZAOALW-RLFYNMQTSA-N 411.503 1.439 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c1 1624440528 KJWDZPVQBLWSTD-UHFFFAOYSA-N 419.503 1.621 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(CS(C)(=O)=O)CC1 1624867481 KRMXZJVQYMHWQT-OAHLLOKOSA-N 401.529 1.857 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1625387677 OMYQYYICFBCPAT-MSOLQXFVSA-N 422.547 1.018 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)c3ncc(C#N)cc3Cl)nn2)C1 1625678560 IWKPOGWMKWPNOK-UHFFFAOYSA-N 417.857 1.920 30 10 HDEE C[C@@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1CNC(=O)OC(C)(C)C 1625826943 QILMSECBYKYZAN-RHDHSSKXSA-N 420.510 1.912 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2c(Br)cnn2c1 1627264153 BWVDJMQAFJONEG-JQIJEIRASA-N 404.224 1.353 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)cc1 1627627963 GSSJWSWPWZNXRK-ZDUSSCGKSA-N 408.418 1.235 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccn3CCN3CCOCC3)C2=O)cc1 1632768342 FQOJCYLTOYZADI-FQEVSTJZSA-N 421.501 1.617 30 10 HDEE CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CC(=O)N(C)C1=O 1633776246 ZQMWIKVAMIKTPO-CJNGLKHVSA-N 416.865 1.560 30 10 HDEE Cc1cccc([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccn2)c1 1633851155 DXDVTAXNXIHODB-SFHVURJKSA-N 404.430 1.613 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1633899782 KEBRWUOUOHZWEB-SJLPKXTDSA-N 415.490 1.969 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1ccncc1 1634775828 FQQUSVFKAZYJCC-YESZJQIVSA-N 419.478 1.470 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1635082729 WZYQSCSTGUUWOZ-HNNXBMFYSA-N 415.519 1.645 30 10 HDEE C#CCOc1ccc(CNC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1 1635494369 GONVQQDHXSACRH-UHFFFAOYSA-N 403.479 1.870 30 10 HDEE N#Cc1cccc(ONC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1635507015 ZKSYZJZUTUBXNA-UHFFFAOYSA-N 415.471 1.622 30 10 HDEE CS(=O)(=O)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1635766723 OWPLVWIWUWPWII-UHFFFAOYSA-N 412.309 1.450 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NC2(C#N)CCSCC2)cc1 1636414190 VPTWEFBEAVHPES-UHFFFAOYSA-N 410.521 1.219 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc12 1639646589 SFCLJRMGMODQFE-ZDUSSCGKSA-N 416.503 1.926 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1639969299 ZRRCYSJFTQQFEP-NRFANRHFSA-N 421.494 1.946 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1S(=O)(=O)NCC#N 1644196738 DDGHUXDBAGQBSX-AWEZNQCLSA-N 417.462 1.747 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 1644341957 YWERMXRWRTUXRV-JXFKEZNVSA-N 421.567 1.160 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccc(C#N)nc3)CC2)CCC1 1644411999 MIVWOISFEIECQH-GOSISDBHSA-N 421.567 1.077 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1646094707 ALNGTHGROBDHCG-HOTGVXAUSA-N 403.483 1.896 30 10 HDEE C#C[C@H]1CCCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1646455339 JIWPDOAGASOCCJ-KRWDZBQOSA-N 416.547 1.922 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN(C)C[C@H](O)c1cccc(C#N)c1)C2=O 1647114841 DCUCRNHKBVGQLB-XZSJUEPFSA-N 413.478 1.055 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1647949370 JHQZDBTXGZZYKG-FRRDWIJNSA-N 418.874 1.443 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OC 1648793657 FTDZHZVUKXIFSB-ZBFHGGJFSA-N 413.515 1.666 30 10 HDEE Cc1ccc(C(=O)N[C@@](C)(Cn2cccn2)C(N)=O)cc1B1OC(C)(C)C(C)(C)O1 1653552016 DQHXTOBQQVROCE-NRFANRHFSA-N 412.299 1.165 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](C(=O)OC)[C@H]3CCOC3)n[nH]2)c1C 1653863668 CWVVNHKDKBQDMM-LSDHHAIUSA-N 401.467 1.632 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1)C1CC1 1657894945 XYSBXLGIFDHXIX-HNNXBMFYSA-N 419.503 1.890 30 10 HDEE CCOC(=O)c1sc2[nH]c([C@H](C)N3CCN(C(=O)CC#N)CC3)nc(=O)c2c1C 1658692618 GIKKVBSXQXDIBT-LBPRGKRZSA-N 417.491 1.589 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)NCCNc3ccc(C#N)cn3)cc2C1 1659492366 QVORMPYHXVVZBF-UHFFFAOYSA-N 405.505 1.310 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c1 1660071037 LPUNHVAJYPVFSL-QYZOEREBSA-N 419.547 1.464 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1663332869 AQRGGGVBCSWRPD-WDEREUQCSA-N 405.373 1.729 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1671199913 XOTJBXVSQDXKEP-LLVKDONJSA-N 417.285 1.668 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@@H](C)c2ccc(N3CCCS3(=O)=O)cc2)nn1 1673802708 QHSNQHSKGMVTBC-HNNXBMFYSA-N 418.523 1.907 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 1676035225 HRZWOBLYAHLGSX-DYESRHJHSA-N 406.527 1.505 30 10 HDEE COc1cc(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(F)cc1C#N 1679427889 DGVCGRIMQFEOLB-CYBMUJFWSA-N 414.459 1.316 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN(Cc3ccc(C)cc3)CCO2)CC1 1684654932 WHCNTZJKURUXBX-IBGZPJMESA-N 414.506 1.684 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 1687097425 GUFXRHASTHBWHZ-IRXDYDNUSA-N 406.527 1.552 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1689860928 LFZZIYGCFVVFES-OKZBNKHCSA-N 416.570 1.746 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1689865175 PDYMKIFXPBXOGE-CJNGLKHVSA-N 414.441 1.442 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1689873345 FJROEWLGYJKAKP-SFHVURJKSA-N 402.543 1.521 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689993108 VQLVPCFXSZYQKP-QGZVFWFLSA-N 402.520 1.719 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1690061443 YQASHDQFALGFTJ-JOCHJYFZSA-N 417.554 1.643 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1690076903 DJEPRHWBCDJFAY-RBUKOAKNSA-N 416.547 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCOC[C@@H]2CCOC2)CC1 1690137373 WLWXGWUBFSYXJE-SFHVURJKSA-N 417.554 1.811 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690364794 XRXMEYRZYFPHQQ-DOTOQJQBSA-N 424.571 1.303 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(CS(C)(=O)=O)CC2)CC1 1690415106 XJPNBKBUKIIRLH-UHFFFAOYSA-N 421.567 1.628 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690669525 HVGNANZJBMOYKD-OAHLLOKOSA-N 415.498 1.932 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1697775492 LWQRYLZYAMRUJQ-MSOLQXFVSA-N 400.458 1.322 30 10 HDEE COCCN(C)CCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1698026842 GAPLLWJDFFOTPN-UHFFFAOYSA-N 414.558 1.848 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(N)=O)C2)o1 1698487857 CLOVKGLFYROITM-ZDUSSCGKSA-N 410.409 1.821 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C(C)C)N1CCOCC1 1705554217 PDHPGFRBOLHXNZ-HXUWFJFHSA-N 421.549 1.943 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2CC2)CC1 1705644181 HYYLPNFKNMLTMX-UHFFFAOYSA-N 414.554 1.962 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1705857904 DGQNTBPOKNMEGY-LJQANCHMSA-N 416.570 1.912 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1705906459 GEUCVUPLEVCNNN-MRXNPFEDSA-N 412.494 1.169 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1711409637 HYKRYOOZYIRNEV-GOSISDBHSA-N 409.494 1.703 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)cc1OC 1711775157 LHDSGZHAMQFYIK-INIZCTEOSA-N 401.467 1.854 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722321253 AGMYBGUALKXTOU-ZBFHGGJFSA-N 402.499 1.545 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCC1 1722374673 AIHYMUCQOIAEJK-UHFFFAOYSA-N 410.474 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1722375031 GOZBLEOSUOXWHD-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(O)CCN(C(C)C)CC1 1722424987 HRHFDMSSHBSSTL-UHFFFAOYSA-N 413.526 1.056 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(N)=O)nc1 1722466301 PMCAILHRAGRFBM-JOCHJYFZSA-N 423.521 1.731 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C(C)(C)C 1722503105 VJZDLBJVMBFHSH-BZSNNMDCSA-N 405.543 1.898 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1722528767 LCNXGZBJBRSWDD-KKUMJFAQSA-N 401.533 1.095 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722573497 ZTODLERBMOUFTG-MRXNPFEDSA-N 400.527 1.831 30 10 HDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCS(=O)CC1 1722616830 DBRHSEFCEBOQOM-UHFFFAOYSA-N 415.567 1.987 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1722733049 WFEXNBJOCMBLEC-QWHCGFSZSA-N 405.615 1.749 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1722862307 BHVXJNIAKNRWLF-UONOGXRCSA-N 424.502 1.702 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722936329 VQCPJAFEHNDAIX-DHQBXBPASA-N 415.473 1.835 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)C1 1724003057 LCHWTNMYKKILLQ-LLGFUMIMSA-N 416.526 1.802 30 10 HDEE C[C@H]1CCCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1726575207 AJLPRIFRHACYRG-HKUYNNGSSA-N 412.542 1.919 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCOCC2)CCO1 1731190463 QVGKUCSWOIWYTN-QZTJIDSGSA-N 404.515 1.013 30 10 HDEE C=CCO[C@H](C)C(=O)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1736428260 VBVCZIDORIRZOQ-IBSXHGQTSA-N 404.507 1.219 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616642 DSCFLDCEGBBLPZ-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(C)=O)CC1 1740632196 OWZZLAWMCRRDEM-QGZVFWFLSA-N 401.511 1.333 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1740638399 MPJQZRYHICUSBW-SFTDATJTSA-N 412.582 1.519 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1740667467 FEKBJHJAWUEWAE-KRWDZBQOSA-N 420.521 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740671494 ILKLEWXWSUAFHF-QGZVFWFLSA-N 415.519 1.646 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)noc2C)CC1 1740690198 PHWBNXXWKPNXPK-UHFFFAOYSA-N 420.477 1.334 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1740824894 DWCZIUCPJDIBMW-QGZVFWFLSA-N 417.535 1.829 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnn(C)n2)C1 1740979624 BBIJALLVBOLNRI-INIZCTEOSA-N 410.482 1.231 30 10 HDEE Cc1cccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742333793 GIXGATQFJSNHJW-HTXNQAPBSA-N 409.450 1.012 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(CCOC)CC2)cn1 1746353373 DMVHMDWBWHANTA-UHFFFAOYSA-N 420.521 1.850 30 10 HDEE CNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1748270666 DJUNHLIRDMAVLJ-IBGZPJMESA-N 410.413 1.172 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748671196 GWHFZGCWOHYQSF-XLAORIBOSA-N 423.583 1.137 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1748710598 VHOAPSKQMCQLSR-SFHVURJKSA-N 418.505 1.626 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1748804674 JROPAOVZNLQEER-SJORKVTESA-N 423.583 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1748825827 GMFDHNXAGLXLDS-CYBMUJFWSA-N 406.537 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCSC1 1748837815 NQGZJDLLQARGNY-OAQYLSRUSA-N 410.499 1.657 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748890727 VEUHSMYOKBLUFF-KRWDZBQOSA-N 403.552 1.680 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCCN2CCOCC2)CC1 1748993957 RQXLTSORVRALNF-UHFFFAOYSA-N 414.598 1.878 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC 1749142094 PMYSBJUKDJFVHV-UHFFFAOYSA-N 406.512 1.763 30 10 HDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1749182606 VTJIHLXSRLNSOC-IBGZPJMESA-N 412.494 1.870 30 10 HDEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749403637 FWTSUHIXVOVNSR-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1749467089 FTWTXZGMKMWPPF-OAQYLSRUSA-N 406.575 1.578 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1749488736 LWFYRDCDNKHGEA-HNNXBMFYSA-N 409.556 1.594 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1749672091 PTPORJGTQOEZNE-INIZCTEOSA-N 418.567 1.714 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1750068696 FAEUEOKEMINTSP-AWEZNQCLSA-N 423.477 1.731 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1750081780 MAULOPRCJOKGIB-QGZVFWFLSA-N 422.493 1.483 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCS(=O)(=O)CC2)o1 1750383168 POMWUTWONHDRGV-UHFFFAOYSA-N 403.489 1.678 30 10 HDEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1751132442 GAPKNXQJZZIUQH-YJBOKZPZSA-N 416.551 1.638 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760152159 WWIXNBSJLMTEDR-IRXDYDNUSA-N 411.510 1.516 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1760176003 XDYLYBFDWWJULS-HNAYVOBHSA-N 406.508 1.367 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1760181618 YJZRFOHPEXBISD-GOSISDBHSA-N 402.520 1.991 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760181748 BBLPWERLSJTMFN-FGTMMUONSA-N 407.584 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccn(CC)c1=O 1760247988 XCXCZMAUNMHQII-UHFFFAOYSA-N 406.490 1.964 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)OCC)CC1 1760268974 UBFFSLMVLVFYLN-UHFFFAOYSA-N 413.526 1.460 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1 1760333346 DKOPTOXQJXYKND-RDJZCZTQSA-N 413.482 1.605 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760543128 PYYHGBBIHRPRJQ-GVDBMIGSSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(C)(COC)CC1 1760556253 XRUXZUFZMBCHSD-MRXNPFEDSA-N 412.556 1.636 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1761549243 TVDGLCJGFSLUKO-FQEVSTJZSA-N 414.535 1.634 30 10 HDEE CNC(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1769319917 HQVQLOWUVZXQTP-HNNXBMFYSA-N 405.462 1.667 30 10 HDEE COC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770934861 ZDZUXAAZJNECTE-SCYHOBCLSA-N 416.482 1.129 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1771361024 IWHAORWVPGWMHM-UHFFFAOYSA-N 404.496 1.215 30 10 HDEE C#C[C@@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 1851050773 NJAWTEKNRRNYTQ-UZLBHIALSA-N 421.501 1.848 30 10 HDEE CC(C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1851561548 GGXWJKZFISNBKD-HXUWFJFHSA-N 419.547 1.683 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCC(N(C)Cc4cnn(C)c4)CC3)cnc2c1C#N 1851756240 TYMYSRBEGNISPZ-UHFFFAOYSA-N 406.494 1.688 30 10 HDEE N#Cc1ccc(CN(C(=O)c2ccc(N3CCOCC3)nn2)c2cnccn2)cc1 1852792481 LIPDPMFGVXBHNG-UHFFFAOYSA-N 401.430 1.822 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2snnc2CCC)C1=O 1853682220 JUAGHUBQXIMETJ-CABCVRRESA-N 405.524 1.341 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1=O 1853828856 PEVQWFMBSGPEOH-SJORKVTESA-N 415.490 1.554 30 10 HDEE C[C@@H]1CN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCN1S(C)(=O)=O 1853989125 CXZUMJPCQIIWKJ-CRAIPNDOSA-N 418.519 1.045 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)C1 1855266192 IADDTCDBBOWERW-KRWDZBQOSA-N 409.490 1.621 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)CCCOc3ccccc3)C2=O)CC1=O 1855637254 YQQNTASWHJDUQL-ICSRJNTNSA-N 413.518 1.939 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CCc3ccccc3)CC2)CC1=O 1855646617 APUATINMZFZGLX-GOSISDBHSA-N 403.504 1.560 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2cccc3cccnc23)C2(CCCC2)C1=O 1856300502 DRJZSOWQUDMBRH-UHFFFAOYSA-N 412.471 1.821 30 10 HDEE CC(C)n1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cn1 1856378686 CCXHYHJHXFGOOW-OAHLLOKOSA-N 408.462 1.483 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2c3ccccc3nn2C)C1=O 1856748215 HTSJBTKUNJHIPE-ROUUACIJSA-N 409.490 1.423 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@H]2CCc3ccccc3O2)CO1 1856903500 OTJATORKLXUPLW-SJLPKXTDSA-N 414.439 1.800 30 10 HDEE Cn1cnnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856945617 CVWYPFIDDGITPP-SFHVURJKSA-N 406.490 1.484 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(COc3ncccc3C#N)CC2)CC1=O 1857184188 YDHJMBICXWZECG-KRWDZBQOSA-N 400.479 1.456 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3cccc(-n4cnnn4)c3)C2=O)CC1 1857247059 MCDZXOXEPLSFAL-LJQANCHMSA-N 407.478 1.809 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2CCOC2)CC1 1857297032 MSEBGZZAGNTEDE-MRXNPFEDSA-N 417.487 1.453 30 10 HDEE O=C([C@@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CC(O)C1 1869928405 WPEUBOWPWFYLAO-GOSISDBHSA-N 424.482 1.021 30 10 HDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)N2CCOCC2)n1N 1874554848 WNLVALKVWVRPAC-UHFFFAOYSA-N 405.480 1.087 30 10 HDEE CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891394704 BYPJJQYEJAPLHY-AEFFLSMTSA-N 411.437 1.605 30 10 HDEE CN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)C1CN(c2nccnc2C#N)C1 1892117171 YBRDQVZDWPVXKK-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE CC1(C)OB(c2cnc(N3CCS(=O)(=O)CC3)c(Br)c2)OC1(C)C 2026963237 ZELNMZPNPAJMPD-UHFFFAOYSA-N 417.134 1.378 30 10 HDEE C=C(CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)CNC(C)C 2165100211 OXPRTJMNDWNGMD-HHHXNRCGSA-N 403.593 1.953 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379573 LYPVGMIBDIPUJJ-UHFFFAOYSA-N 408.304 1.357 30 10 HDEE C[C@H]1[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247814007 NECJNRVMARBWSA-GXTWGEPZSA-N 420.319 1.837 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826913 BJOVKFVMMXNKLB-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE COC(=O)C1(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247827830 DKEVIJZPDQTLGL-STQMWFEESA-N 424.303 1.747 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2247844790 HXTYZTMNHCKXHU-KGLIPLIRSA-N 421.278 1.915 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)O)Cc1ccccc1 2248592933 HZQJMYZRMHJFRF-UHFFFAOYSA-N 413.283 1.929 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258172649 ZPRQBNDSUFLUTI-HOCLYGCPSA-N 411.480 1.266 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)[C@H](O)C(F)(F)F 2265291968 CURSQJWQVUCFQU-RNJXMRFFSA-N 404.407 1.081 30 10 HDEE Cc1c(C(=O)N2CCC[C@H](C3OCCO3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800691 MKHVEZYPVVSMCO-AWEZNQCLSA-N 405.304 1.253 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282015222 VYUQWKNQCXGOMH-NSHDSACASA-N 402.347 1.338 30 10 HDEE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282329440 MFDOIRNWPPRUAT-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE CO[C@@H]1C[C@@H]1CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282497027 KUPXCNUQCPLKNL-CHWSQXEVSA-N 401.359 1.977 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@](C)(O)C(F)F)OC1(C)C 2282510400 XXEZESPFVKDRAO-OAHLLOKOSA-N 411.301 1.483 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282664829 HZLAPWUKVDGMAG-VXGBXAGGSA-N 401.359 1.941 30 10 HDEE C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854304 PUUZTDZADOIMQR-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CN 2282858295 UXVXKPVRAWNYSR-STQMWFEESA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCC4(CC3)OCCO4)cc2)OC1(C)C 2282864334 DNYFHBAOGOQZGD-UHFFFAOYSA-N 423.340 1.950 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284400779 YFLNKUCHGFABFQ-JTQLQIEISA-N 403.331 1.825 30 10 HDEE Cc1cc(S(=O)(=O)NOC(C)(C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284402971 PSQYKGQSKBSBQU-UHFFFAOYSA-N 405.303 1.429 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1C[C@@H]1C(=O)O 2284404091 WHJOUVMHXULSGN-DLOVCJGASA-N 401.315 1.435 30 10 HDEE C=CCN1C(=O)C(=Cc2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 2314415097 XOGHOUZISAQDDQ-UHFFFAOYSA-N 402.501 1.794 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1nc(Br)nn1CCOC 2328462547 QZLSTWLKQHEFLM-NWDGAFQWSA-N 416.320 1.994 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](C3OCCO3)C2)n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c2csc(CO[C@H]3CCCN(S(C)(=O)=O)C3)n2)OC1(C)C 2368900718 AQIJYVPNOVQHPJ-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1 20424003 JMRMTRJFGSOOEL-NGYBGAFCSA-N 414.451 1.752 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2nc3ccccc3s2)CC1 27903849 KXDIAAMLDGGLHI-MRXNPFEDSA-N 415.563 1.563 30 10 HDEE C#CCN(CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)[C@H]1CCS(=O)(=O)C1 111046827 VXLWLHXJEHJINW-FQEVSTJZSA-N 414.527 1.929 30 10 HDEE CC(=O)N1CCC[C@H](CCS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208046888 ORKJPNFYLCSHFS-OAHLLOKOSA-N 423.344 1.198 30 10 HDEE CCOC(=O)NC(=O)CSc1nc(N/N=C/c2ccc(OC)c(OC)c2)n[nH]1 253573305 RGYJJTHPPWESFN-CAOOACKPSA-N 408.440 1.633 30 10 HDEE COC(=O)/C=C1/SC(C(=NNc2ccccc2OC)C(=O)N2CCCC2)=NC1=O 254631566 UYCMWWMBGLSELB-YDNUFFSXSA-N 416.459 1.814 30 10 HDEE C[C@H](C(=O)NCc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1)n1cnc(C#N)n1 409991907 KKXZSEKAARIAHH-SECBINFHSA-N 401.370 1.449 30 10 HDEE C=CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 410080544 PEGKNHWGTDDUSC-CQSZACIVSA-N 408.524 1.292 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 428870427 XZARMKVZCOLTFN-QGZVFWFLSA-N 415.519 1.972 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCN1c1nccn2cnnc12 433495064 ZDLYNTJYTXHHRM-LBPRGKRZSA-N 417.882 1.549 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435518667 JVOVKERSWRNPNE-ZBFHGGJFSA-N 405.462 1.694 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)cn1 462366985 ARQAOEZOXHHCOD-UHFFFAOYSA-N 420.454 1.775 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 469930278 WKTXAFBVSBCBTN-IBGZPJMESA-N 421.563 1.868 30 10 HDEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1 476604165 CJQVTSAXYNMJAU-QGZVFWFLSA-N 421.457 1.539 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 503722231 DNKUZBXCCBLLQA-UHFFFAOYSA-N 413.521 1.022 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnnc3)cc2)CC1 511123056 SKCHCUUJDAZILP-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cc1F 514332387 OATYNIHAOXMXOD-UHFFFAOYSA-N 424.453 1.989 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 515591365 FHODAAFEPFJEGT-UHFFFAOYSA-N 404.495 1.988 30 10 HDEE N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 518026887 RYUFXWAFUPCRSY-KSZLIROESA-N 403.504 1.801 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 520975362 SHURXPZKAHYDNH-IBGZPJMESA-N 415.515 1.580 30 10 HDEE CC(C)CS(=O)(=O)CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 522209372 BZRJEOWHRGJASQ-INIZCTEOSA-N 409.533 1.859 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCO[C@H]2c2ccccc2)CC1 522318157 SWGGDJOGJHTILZ-CTNGQTDRSA-N 400.523 1.784 30 10 HDEE N#CCNC(=O)CN1CCC(N(CC(F)(F)F)C(=O)c2ccccc2F)CC1 525121026 LQYAERQVSAKCKQ-UHFFFAOYSA-N 400.376 1.934 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc3ccccc3s2)c(=O)n1CC(N)=O 531814866 KVSNVMBTINSBMU-UHFFFAOYSA-N 423.519 1.482 30 10 HDEE CO[C@H]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540344864 WQXSLMFKBUBFOS-IRXDYDNUSA-N 406.508 1.389 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)CC(=O)N1CCC(C(=O)N2CCCC2)CC1 561788328 WUOFVNDPJANTFB-UHFFFAOYSA-N 412.534 1.868 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NC2(C#N)CCCC2)CC1 585705342 UAHDGCCPOAADTE-UHFFFAOYSA-N 419.503 1.826 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@H](O)C2)c(F)c1 586863016 HEIZPDDJVPTJRB-IBGZPJMESA-N 410.449 1.197 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)CC1 604188575 CDTCNDQUNAOQLI-SFHVURJKSA-N 403.527 1.354 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Nc2ncccc2OCCCC#N)C1=O 615555381 CIFGSMXVEILQGM-YJYMSZOUSA-N 400.439 1.606 30 10 HDEE N#CCc1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 619494540 LSCXCTWAFMBNTE-VQTJNVASSA-N 424.526 1.630 30 10 HDEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1=O 619843206 KYXFUHYBYBYWAF-ZDUSSCGKSA-N 400.826 1.073 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1C 669651359 GLZHIQMYSUJXPT-UHFFFAOYSA-N 424.453 1.989 30 10 HDEE CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(I)c1 694968912 WZGUPCQZTOPBJE-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE C#CC[C@@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 717888220 RKCOQESFPHYHTI-MRVPVSSYSA-N 412.103 1.456 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)c(F)c1 727416222 JSYRGDSFLIYSRH-UHFFFAOYSA-N 411.458 1.969 30 10 HDEE C#CCN(C(=O)CSCC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 729332317 MRTOPLZRBFLMMJ-INIZCTEOSA-N 400.566 1.160 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@H]1CCCO1)c1ccncc1 733878168 AAWHHXAEOJLBJC-OAHLLOKOSA-N 400.460 1.332 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 740202641 CBXFDGKBTSVGJE-YAINUAMHSA-N 414.439 1.906 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NCCc1cccc2cccnc12 741345422 ZSVNKVKMARNWMQ-QURGRASLSA-N 422.441 1.353 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)ccc1F 741628456 HEWMEIKGWCEWEX-HNNXBMFYSA-N 421.498 1.422 30 10 HDEE COc1ccc(COC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1C#N 747007435 LRPMEZQUUZNYAY-UHFFFAOYSA-N 405.410 1.682 30 10 HDEE N#CC(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1C[C@@H]1CCCO1 762991340 QZIXYGWGLWAUKU-ZDUSSCGKSA-N 412.471 1.864 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2cccc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774221622 RYIBHBFDJXAPKF-FUHWJXTLSA-N 405.520 1.496 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780254237 BQXRPVHCRRODJK-RTWAWAEBSA-N 417.462 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 782340540 XJIKCDBTSBQFFO-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786182571 NRALXVADMASMBD-CQSZACIVSA-N 406.487 1.592 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3cccc(OC)c3)C2)n1 788966093 MJHFITZYXBFYTL-GOSISDBHSA-N 411.506 1.962 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(-n3ccnc3)c(F)c2)cc1C#N 793915825 RAUGIGIJOPOLHW-UHFFFAOYSA-N 407.405 1.824 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOC)CC1 802470602 QVKBNZOWIGWPNI-UHFFFAOYSA-N 416.501 1.079 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(C)cc1F 813647154 MKKHLQYCECNNHH-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N 813682383 YTODJCZNKWHFQC-CJNGLKHVSA-N 410.496 1.564 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](c2cnn(C)c2)C1 849480039 ARLUUNGBQRKZSJ-FGZHOGPDSA-N 406.534 1.671 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)cc1C 920397398 JWHXUFUUYZQZHX-UHFFFAOYSA-N 408.527 1.829 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1125883906 PCRJFAPLNFOHJZ-YYIAUSFCSA-N 410.536 1.671 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1136161527 OTKVXXVKKFNSMO-DLBZAZTESA-N 423.558 1.632 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1 1154157956 JZDFANQQMJIYKA-UMWAFNGASA-N 408.524 1.359 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)C1 1155858804 PGPZMELPNYUZQO-HIFRSBDPSA-N 419.279 1.714 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1156669439 BYTDCVQWNQVTEM-RTHLEPHNSA-N 404.231 1.912 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 1159641235 HRVQGKRUAIFWMV-GXFFZTMASA-N 419.297 1.355 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1167464541 IDLUUKAVYLTOTA-QGZVFWFLSA-N 416.455 1.079 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1192680022 HLHSRBGRVMTEKX-HIFRSBDPSA-N 424.489 1.978 30 10 HDEE CC(=O)Nc1ccc(NC(=O)CN2CCN(C(=O)CC#N)CC2)c(C(F)(F)F)c1 1194456657 HITZNQSDMDVUIV-UHFFFAOYSA-N 411.384 1.660 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@H](CC#N)C1 1196038942 HEKVVETZXKOVGS-IAGOWNOFSA-N 420.535 1.660 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)Nc2ccn(CCN3CCNC3=O)n2)c1 1209474235 FCFXPIGPEKYCQG-INIZCTEOSA-N 411.466 1.911 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)c1 1214106766 ZNGAHGHTKGYBPO-FQEVSTJZSA-N 415.515 1.946 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1225936683 GAXAVMYUBHCZTH-ZWKOTPCHSA-N 415.494 1.881 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[S@@](=O)CC(F)(F)F 1230864456 VQTDNBSDWWVEMV-HHHXNRCGSA-N 404.458 1.942 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1233682130 YDJMQPJWRAHKOL-UHFFFAOYSA-N 421.519 1.713 30 10 HDEE Cn1ncc(I)c1C(=O)Nc1nc2n(c1C#N)CCS2 1265038973 WVUNKWNDRWVBKI-UHFFFAOYSA-N 400.205 1.451 30 10 HDEE C=CCn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1271511403 JTWNJNNZBVGDAJ-MRXNPFEDSA-N 401.442 1.051 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1286497160 OAFAKUQBLBXELO-UHFFFAOYSA-N 423.539 1.603 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286505231 YGKFCKLDGOGVDP-HNNXBMFYSA-N 405.549 1.720 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1286512338 JTUAXJHPYHOYPT-JXFKEZNVSA-N 421.567 1.354 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCN(C)C1 1286531274 USXXULNGVNFNPY-ZCLUNYJNSA-N 403.527 1.061 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(C)=O)C1 1286611937 RRUMNXYPDMXFDE-KRWDZBQOSA-N 404.515 1.098 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1286645051 SCXXSMWRCDSYIK-UHFFFAOYSA-N 405.528 1.563 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286699613 VFWLTNNRVBRVSO-CABCVRRESA-N 400.487 1.280 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286702748 VLTCKJRFYKLZEP-IBGZPJMESA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1286786765 ZFZPAFXEJCBIRE-UHFFFAOYSA-N 400.527 1.829 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCN(C)C2)C1 1286811862 IYQASHMLDIZMEH-XLIONFOSSA-N 418.567 1.482 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1287222021 CQWTVAVQUYEWMG-KRWDZBQOSA-N 403.508 1.723 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1288518662 WOTHGICYEFOYAM-AEFFLSMTSA-N 400.531 1.654 30 10 HDEE C#CCN(C(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CCS(=O)(=O)C1 1291929331 PUDMTXWNNXDHTB-WOJBJXKFSA-N 400.544 1.938 30 10 HDEE COc1cc(N)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 1293031651 FRYHIUDNNUNSBM-PEZBUJJGSA-N 409.240 1.296 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cnccc1OC 1293214876 AEDAZVVHOCDKEP-GOSISDBHSA-N 417.473 1.983 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1296571495 XCNYYNIAWSUZCC-LEWJYISDSA-N 416.526 1.539 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCn1cnnn1 1300291171 RGHJNTCRIUAXBA-OAHLLOKOSA-N 410.482 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1300309989 WGEMONMPHCEKAR-ARFHVFGLSA-N 402.524 1.097 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1300402698 DIDVCVLHFUPLEX-UHFFFAOYSA-N 420.477 1.469 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300424514 IVTDGVOHQSOPIX-OAQYLSRUSA-N 418.542 1.584 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H](C)C1 1300430043 GEOWGNVGYPGCBP-IAGOWNOFSA-N 410.588 1.470 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300482224 DJBPVQIWOGHDDI-UONOGXRCSA-N 416.494 1.627 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1300495673 JHBSAQJRFAEPDC-IRXDYDNUSA-N 410.540 1.309 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300495701 JPIQOLXVBGKESQ-DLBZAZTESA-N 424.592 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300506156 NRESXQJOWMPTHB-PGRDOPGGSA-N 411.506 1.315 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1300538924 VTWJLBCXASAMOS-QGZVFWFLSA-N 422.514 1.257 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)CC1 1300699883 IWCAHUHYBHMTAN-QGZVFWFLSA-N 405.568 1.372 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NCC)CC1 1300862834 GQFMUZVKNBJXEC-CYBMUJFWSA-N 413.320 1.890 30 10 HDEE COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300996823 COHYGHHRBJCQFI-NVXWUHKLSA-N 424.509 1.105 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccn(CC)c2=O)C1 1301553016 CFYRYGHIMJBRFY-SFHVURJKSA-N 409.494 1.690 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1303111617 LIWNNDSOZXKZPF-KKSFZXQISA-N 401.463 1.776 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1303499937 PKFZHRCAJFBQRV-RHDHSSKXSA-N 420.510 1.912 30 10 HDEE CN(C[C@H](O)CN(C)S(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C 1309764318 BQXWVHZETGKUIG-HNNXBMFYSA-N 403.545 1.950 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1312657428 WOCFZGOFUVZRCY-FQEVSTJZSA-N 408.458 1.966 30 10 HDEE N#Cc1c(CCCNC(=O)NCC[C@@]2(O)CCCOC2)nn(-c2ccccc2)c1N 1312949562 WKBOERUGEWZFAC-NRFANRHFSA-N 412.494 1.490 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 1313099794 ARYBNMGREWKZRX-DOTOQJQBSA-N 400.414 1.751 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1 1314260105 VLYSXEDKOWMJLD-HVEKOLDVSA-N 418.885 1.652 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1314806911 CKOPLEREMZSXSR-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2Cc2nccs2)cc1 1316533896 HSMRJZFJGCWEDS-UHFFFAOYSA-N 423.502 1.935 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1342211199 UWQSACSFCFSLLO-NVXWUHKLSA-N 409.464 1.551 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1358994821 XGHQPKONDPHNRS-MOPGFXCFSA-N 417.579 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccs1 1359018190 HOXAUNMCLONWBU-UHFFFAOYSA-N 411.491 1.711 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359040824 HCVDFQMGUYWMGM-ROUUACIJSA-N 403.527 1.419 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(N)=O)C1 1359102251 ZDEWZFNXVDFQNG-BJLQDIEVSA-N 410.522 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](COC)C1 1359297002 BATQGFSPCPDJPP-CQSZACIVSA-N 405.886 1.752 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359299304 BMUJBZRGNZZNSA-DLBZAZTESA-N 418.542 1.359 30 10 HDEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1359525522 GJTDFHWPZNJRGS-UHFFFAOYSA-N 423.583 1.936 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1360487764 RFGAMKLAAKSTFN-WBVHZDCISA-N 418.505 1.976 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@](C)(O)C1CC1 1360693059 DRNSIVJQHARSPJ-KKXDTOCCSA-N 410.544 1.179 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NC2CCN(CC#N)CC2)N(C(=O)OCc2ccccc2)C1 1435077455 AGYJJIZHFJUZAS-MOPGFXCFSA-N 400.479 1.517 30 10 HDEE C=CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1439996335 MPEKOSGAKRANRP-UHFFFAOYSA-N 421.563 1.997 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(NC(=O)N(C)C)CC3)ccc2c1=O 1449957856 SBGRIKSCJZSHMA-UHFFFAOYSA-N 415.519 1.747 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)ccc1F 1449983711 TURBOLZIGFBECD-ZDUSSCGKSA-N 421.454 1.114 30 10 HDEE C[C@@H](CC(=O)NC[C@]12OCCC[C@H]1C2(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1453563102 LVVNLEFMARYXKV-KHIZAZIESA-N 413.446 1.434 30 10 HDEE CS(=O)(=O)Nc1cccc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1456066421 UKTZJINADKHHDN-GOSISDBHSA-N 413.503 1.970 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCC#N)cc2)c1 1464763722 TUEOQQALUWQVKR-UHFFFAOYSA-N 421.500 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C(C)(C)C1 1464923341 IDKUGVYPRQICSF-PERWBAPNSA-N 406.483 1.522 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 1468992011 FIKYJHHZVMRSFT-RDJZCZTQSA-N 418.519 1.229 30 10 HDEE C=CCn1cc(CNC(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)nn1 1469215943 LSIZWSLPRMYIRT-UHFFFAOYSA-N 406.402 1.700 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1cccs1 1469465220 FWTQITAZXAURMG-HNNXBMFYSA-N 408.505 1.273 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(C(=O)OC(C)(C)C)C2)s1 1472373168 MFCYILHTUFIDDN-UHFFFAOYSA-N 400.522 1.555 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)ccc2c1=O 1472610330 YNBKSIVLOOHURK-KGLIPLIRSA-N 419.528 1.663 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1Cl 1473836970 GLAMCZVJVXMLAD-UHFFFAOYSA-N 412.885 1.617 30 10 HDEE COC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1)OC 1504577209 ARWKLAHDEYIYJW-MAUKXSAKSA-N 404.402 1.957 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(F)cn2)cc1 1505318348 HQNYUOCQFRHVOY-HNNXBMFYSA-N 421.436 1.623 30 10 HDEE C#CCN(c1nnc(C)n1CC(=O)Nc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507625473 JQLSIYFSJUARBL-QGZVFWFLSA-N 415.519 1.469 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC)C1 1507644120 DLFHJTNZVDHTPH-SFHVURJKSA-N 415.505 1.335 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1 1507702756 NMVLPTNGAYEEKA-NVXWUHKLSA-N 415.469 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@]1(C)CN(C2CC2)C1=O 1507711937 MKQZFDXIUXCBNW-QFIPXVFZSA-N 408.506 1.361 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(CC)C2)CC1 1507726698 KNUKAUQPEAADLR-FQEVSTJZSA-N 410.570 1.237 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508059194 QOSSIUNNBUZWOT-CVEARBPZSA-N 409.556 1.355 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2ncc(-c3ccccc3)o2)CC1 1508072252 HJYKLXDRAWCGMS-UHFFFAOYSA-N 421.505 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508075080 SPFIMBKZDITMIB-OAHLLOKOSA-N 423.926 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(C(C)=O)CC2)C1 1508109977 QCVYOKGPSAIDPQ-PKOBYXMFSA-N 404.559 1.737 30 10 HDEE CCOCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C#N)C1 1516421071 CUUKFBZQEOREPZ-INIZCTEOSA-N 406.531 1.988 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1)CC(F)(F)F 1517315915 HPZSQMJGIJATQB-DYVFJYSZSA-N 413.448 1.853 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)CC2=O)cc1Cl 1526828674 DKOLUNMRQIQFJA-MAUKXSAKSA-N 410.861 1.777 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1528682224 GBWLUNMMKQIXQX-QGZVFWFLSA-N 409.446 1.633 30 10 HDEE Cc1cc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ncc1C#N 1534587259 FPGWRVXONMGWEW-OAHLLOKOSA-N 422.507 1.416 30 10 HDEE COc1c(Br)ccc(F)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1536180786 XRHQPHDHXNQAGZ-VFZGTOFNSA-N 417.256 1.607 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OCC 1536578793 MCEDAWBGOHGLHN-OPAMFIHVSA-N 413.474 2.000 30 10 HDEE C#CCN1CCC(C(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)CC1 1538474518 RMZWCCGRXNFKMP-KRWDZBQOSA-N 403.548 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1538976405 LNRJCMULVWWNJP-ZWOKBUDYSA-N 404.511 1.931 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1539093577 ADNPILUIEPCJKU-HOTGVXAUSA-N 419.555 1.419 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1539132134 FIIHWFBMKUYURL-GOSISDBHSA-N 414.554 1.947 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(CC)noc1C 1539161624 IYLIJYOZDRHXEN-UHFFFAOYSA-N 403.450 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C(C)(C)C 1539284734 AZIGQMYIEWTEPU-UHFFFAOYSA-N 417.517 1.752 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc(C)s1 1539421807 YRQAGOARXFMOQK-UHFFFAOYSA-N 400.512 1.434 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(C)(C)O)CC1 1539441649 TTXLWMCQPVLEBF-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)CC 1540163317 XHEZCFHXIUEZPV-UHFFFAOYSA-N 407.482 1.578 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1CC 1540186375 BRMPOQGMWCUHOM-INIZCTEOSA-N 410.482 1.717 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1540855833 AFEXIFVMTPATKT-HNNXBMFYSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)OC)CC1 1540867990 OLLVJTLTLAFBRJ-UHFFFAOYSA-N 414.466 1.144 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1540890400 DRKKFWKRCOFQDJ-ROUUACIJSA-N 419.526 1.202 30 10 HDEE CCCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCS(=O)(=O)C1 1543450594 CIRWSEQYWYLDHP-CYBMUJFWSA-N 416.496 1.552 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCC1 1548174650 GNRNTRRMQDNTDR-OAHLLOKOSA-N 412.498 1.106 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1554129153 YAKDOKZVZQWRCA-UHFFFAOYSA-N 423.521 1.694 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1555691888 WOJZTPDVUQYMSB-IBGZPJMESA-N 422.493 1.740 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1cccc(C(F)(F)F)n1)c1cc[nH]n1 1556739883 DDNJIZHLXDWODE-UHFFFAOYSA-N 413.356 1.466 30 10 HDEE C=CCCOCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1558066422 RJOXQDGHACKFAK-OAGGEKHMSA-N 409.483 1.620 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)c2c[nH]nc2I)c1N 1568798348 RPBNPAUUGUHTPZ-UHFFFAOYSA-N 419.186 1.906 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCn1cnccc1=O 1570613263 VCSYRLSNEQNWPE-UHFFFAOYSA-N 421.251 1.471 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1587909476 LTOAPFSYBWFZRJ-GFCCVEGCSA-N 413.450 1.607 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1 1588139576 PJRIWMUPDQRMFB-KRWDZBQOSA-N 400.479 1.749 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cccc(C(N)=O)c1 1588628316 GXERBZPVNYOUDA-UHFFFAOYSA-N 404.474 1.882 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1594753743 CWOVBPHLQVTPKV-UHFFFAOYSA-N 403.439 1.011 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1594839224 GPYGHWBNSNIGGL-UHFFFAOYSA-N 400.874 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1C(C)(C)C 1595831811 WTDSYEHSHSEWPZ-HUUCEWRRSA-N 409.556 1.424 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCN(C)C1 1602908252 HRPLZYBZPHZVAL-DENIHFKCSA-N 410.522 1.918 30 10 HDEE C/C=C\C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1611352104 APBIEIWPJIEGGO-VLLIJTNSSA-N 407.492 1.518 30 10 HDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc(C)c(Cl)c3)S[C@@H]12 1614386311 XWXIBIPSFKQPFP-GAUGTXIDSA-N 413.927 1.214 30 10 HDEE C=CC(C)(C)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1616832427 JKPHEPBWYIXANB-UHFFFAOYSA-N 409.552 1.866 30 10 HDEE C#CCN1CCN(C(=O)CNC2(c3cc(Br)ccc3OC)CC2)CC1 1618766781 HCGWJSOKFYSCOH-UHFFFAOYSA-N 406.324 1.814 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1618794242 CLQGTTCIJHQUIQ-VQIMIIECSA-N 423.521 1.110 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1622996598 FOKUZSJRFCLRBW-GOSISDBHSA-N 400.479 1.949 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CN(Cc3ccccc3)CC23CCC3)C1=O 1623409090 BDEHRVWCPPNTRY-GOSISDBHSA-N 424.501 1.382 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)c1 1624677442 MLTOOKYJECOBRZ-UHFFFAOYSA-N 403.460 1.383 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1629636497 DHRLDTVNRSJKQG-KRWDZBQOSA-N 401.488 1.275 30 10 HDEE N#CCCN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1 1630675300 DMPWYYBAVZKWBN-IBGZPJMESA-N 405.930 1.954 30 10 HDEE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1630804183 WJXOYWWCCWVBRV-SBTCKYBLSA-N 404.511 1.804 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H]3c3ncccn3)C2=O)cc1 1633395297 BYHBXSJTETXIGQ-DLBZAZTESA-N 404.430 1.917 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)C2)nc1 1635415511 ISKURGQYTOKADJ-MRXNPFEDSA-N 417.466 1.474 30 10 HDEE C=CC(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1635702137 ZXZOPSYPIYOSEO-GOSISDBHSA-N 404.426 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CC(=O)OC)C2CC2)s1 1636021156 AEZLXKZVTAJJCX-KRWDZBQOSA-N 400.522 1.603 30 10 HDEE C#CCN(CC1CC1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1636500037 WHMIHPUHXOFHJJ-BRWVUGGUSA-N 410.536 1.528 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(OC)cc1 1636512293 ANMSYVNBMYMYFT-VBKZILBWSA-N 414.487 1.454 30 10 HDEE CC1(C)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@]1=O 1636701802 RRYBFWDSKXSYBN-HYDGNGQDSA-N 416.503 1.523 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1)C1CCOCC1 1637128939 SYKKAMKVFVQSKP-QZTJIDSGSA-N 409.527 1.818 30 10 HDEE N#Cc1cn(CCNC(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)c(=O)nc1O 1641033437 BDNGORVJAYDXPG-UHFFFAOYSA-N 415.360 1.108 30 10 HDEE N#Cc1cn(CCNC(=O)c2nn(-c3ccccc3F)c3c2CCC3)c(=O)nc1O 1641967430 ALLSLDVKXNLUGW-UHFFFAOYSA-N 408.393 1.064 30 10 HDEE C#CC[C@H](NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1642415651 WCEGYKUYLJTLNY-WWMYMODYSA-N 402.447 1.484 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1643726120 WJCNKGWVLSQBMO-OAHLLOKOSA-N 402.557 1.265 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)CCCOc3ccc(C#N)cc3OC)C2)C1 1643874460 UPOUGXPINJMNIU-FQEVSTJZSA-N 401.419 1.646 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1c[nH]c2cccc(OC)c12)c1cc[nH]n1 1644409643 SHAGQFYPQNTUKQ-UHFFFAOYSA-N 413.434 1.542 30 10 HDEE O=C1NC(=O)[C@H](CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1645938396 RVXHMVBMFMWFQR-PBXRRBTRSA-N 409.233 1.214 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C(=O)C1 1647932815 MCYUCDZUHJBDMQ-UHFFFAOYSA-N 413.478 1.260 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)cc1B1OC(C)(C)C(C)(C)O1 1648709394 PYVPVOPOFSCARK-MOPGFXCFSA-N 412.295 1.514 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](C)CCO)nnc12 1651039977 PKTXZEFLZSEGPJ-AWEZNQCLSA-N 415.519 1.847 30 10 HDEE C#CCN(CC#CC)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1653460902 FEGPRILHESENKH-UHFFFAOYSA-N 417.531 1.229 30 10 HDEE C=CCc1ccc(OCC(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c(OC)c1 1653539611 FXBWHNRWBICLNQ-MRXNPFEDSA-N 413.478 1.202 30 10 HDEE CN(C)CCN(CCN(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1654334952 FHFLDAZXQNSHOM-MRXNPFEDSA-N 405.930 1.516 30 10 HDEE O=C(CN1Cc2ccccc2OC1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811911 RUAQIZOUEQONLW-UHFFFAOYSA-N 409.398 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1 1659828337 BZSGEZLHPVIHPT-UHFFFAOYSA-N 413.522 1.760 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)c1 1660875396 YJJYYHUIZDDBRO-LJQANCHMSA-N 420.531 1.844 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 1671495591 UOCGRPPIZXVCIN-RRFJBIMHSA-N 407.471 1.275 30 10 HDEE COC(=O)[C@@H]1C[C@@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1675999236 GXXREADXHDABCX-IUODEOHRSA-N 414.441 1.506 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)C1 1683594002 GPQURNSMIQXHSB-SJORKVTESA-N 406.527 1.106 30 10 HDEE C#C[C@H](NC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1)C1CCOCC1 1684035607 KIJBCNSGFOWWDM-IBGZPJMESA-N 413.522 1.631 30 10 HDEE C=CCN1CCC(NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1684043380 WDMXMBVVSCKBDW-KRWDZBQOSA-N 408.543 1.659 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)CC2)CC1 1685427587 CSGMBVQUULTJJD-VQTJNVASSA-N 418.563 1.898 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2occc2C)CC1 1690142182 JQORGQNUWYYTRX-UHFFFAOYSA-N 407.478 1.594 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690161960 WUJXAUZFOROQCA-NRFANRHFSA-N 406.515 1.900 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1690174984 NMIYRISPVWVVAI-QGZVFWFLSA-N 401.540 1.657 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCCO)C1CC1 1690245789 MZVAEKUACDYWNN-IEZWGBDMSA-N 403.527 1.952 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690311137 DFTBRCZUDSITPM-INIZCTEOSA-N 411.572 1.904 30 10 HDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1690539891 PUOBILXLMOKXFG-KRWDZBQOSA-N 405.462 1.960 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCSC2)C1 1690659474 UICGJZQZPUDTDW-FQEVSTJZSA-N 420.583 1.832 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 1690659488 UVHDANDSCQKITK-UHFFFAOYSA-N 414.558 1.501 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](COC)C1 1690666252 XUMTVOTXALTKRJ-KRWDZBQOSA-N 422.489 1.647 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Nc2cccnn2)CC1 1690667722 FRALJZKVEKLPCJ-UHFFFAOYSA-N 419.493 1.513 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(OC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690677125 NWLMOHMOPAJDQO-OAQYLSRUSA-N 421.542 1.626 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1691545841 GTYMCZXGQGICRW-JBYIUTFZSA-N 408.506 1.939 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1695498206 AHXWGEOICSFRBC-QGZVFWFLSA-N 407.478 1.106 30 10 HDEE CCN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1695562318 KTZGCMLTSAOOOU-VXPUYCOJSA-N 407.478 1.779 30 10 HDEE COc1cccc(C(C)(C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1697500928 GPSKPDWVGAQMNQ-ZWKOTPCHSA-N 424.505 1.944 30 10 HDEE CS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1698306246 BLRVJSFZTFIZPD-UHFFFAOYSA-N 400.508 1.398 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCc2cccnc2)cc1 1698488461 DEEQCIKNVQFTHG-GOSISDBHSA-N 417.473 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705496289 CTOIQFVCQKOXAK-LIRRHRJNSA-N 422.938 1.530 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OCC)c1 1705541190 CDAQQPMUNDYXHS-CQSZACIVSA-N 421.523 1.413 30 10 HDEE C#CCN(c1nnc(CCOc2ccccc2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1705568488 OKRXJJGAOLUBFJ-QGZVFWFLSA-N 400.504 1.861 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1705635844 NFUBAELCWDLVFW-UHFFFAOYSA-N 403.490 1.098 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1705674357 GUGKDJIQHXWMMM-WOCWXWTJSA-N 421.567 1.964 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccnc2OC)CC1 1705769248 MYAFIAKIIMSONQ-INIZCTEOSA-N 403.508 1.789 30 10 HDEE C=CCCOCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705832976 PUYNKRMKJJNELH-PXNSSMCTSA-N 405.499 1.640 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(Br)c[nH]1 1705909088 MPEXFVMNUCSHCO-UHFFFAOYSA-N 405.260 1.815 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCS(C)(=O)=O)C1 1705928070 AQFXZBKIGCKTCQ-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE CN(OC1CCCC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1711241063 SWYHRHKXZTUBEJ-UHFFFAOYSA-N 404.496 1.676 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1Cl 1711843611 HEBIJUYOSHFUEC-HIFRSBDPSA-N 416.869 1.668 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1712285852 RMGXJHCWXIRHBO-LJQANCHMSA-N 414.510 1.247 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722313249 RXCFZBIDZFUQGN-INIZCTEOSA-N 421.509 1.619 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1722385728 KGQUAVKYDIQKLU-VGSWGCGISA-N 410.474 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCCCC1 1722389977 OGZOJVSZEQXHQX-QGZVFWFLSA-N 421.567 1.701 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCN(C3CC3)C2)CC1 1722430888 JZPHUYJFNCQMPT-MOPGFXCFSA-N 416.570 1.242 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOC[C@H]2C)CC1 1722439988 XSVIRUKTJBLEBJ-GOSISDBHSA-N 414.579 1.406 30 10 HDEE C#CCSCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1722464741 QNMVSSYESJBHQQ-APWZRJJASA-N 410.540 1.148 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722511501 ZZLOYLLJGCEPIR-UEXGIBASSA-N 418.586 1.858 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1722542825 IFHAJWIPZKRSNS-CYBMUJFWSA-N 404.968 1.608 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722698671 JZMWAPWURAHIAS-ZDUSSCGKSA-N 415.416 1.432 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1722715645 UWTFEZJTBVIZJE-KRWDZBQOSA-N 417.535 1.827 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722727222 MWQLRBVBVBZCOS-OXQOHEQNSA-N 424.567 1.921 30 10 HDEE CC(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723113696 BRXPBSQUAUGWKK-OALUTQOASA-N 411.510 1.426 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)C1 1724017804 FRYDPVYKFPNLMM-JOCHJYFZSA-N 421.505 1.577 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1730793067 FTNUUDVYOWJPOY-GOSISDBHSA-N 400.483 1.801 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)C1 1731179684 FIGNWNBBKJPFOS-LVCYWYKZSA-N 420.533 1.851 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740593525 HYXTXWOVAWQZHD-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740625636 HBQCHJKAQRJFAG-HZPDHXFCSA-N 410.540 1.307 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(NC(N)=O)cc2)n1 1740687927 OIXMJPWUBIXALH-UHFFFAOYSA-N 422.493 1.608 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2(O)CC2)n1 1740688154 AZXLMJDMCOMNDU-UHFFFAOYSA-N 407.478 1.348 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1740850260 DVNVIPZLZBEIEK-HOTGVXAUSA-N 424.571 1.952 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1740950982 ORNQLLRWSRZVGX-DLBZAZTESA-N 418.542 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)noc2C)C1 1740982656 VPMXSFVCBKNFOV-HZPDHXFCSA-N 421.523 1.615 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CC)Cc1nc(O)c2sccc2n1 1740987453 TVXVKXBNNQUMCM-UHFFFAOYSA-N 422.536 1.924 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1741516255 MXBTYXOGIHHGMS-ZWKOTPCHSA-N 401.515 1.985 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1747366491 QGLRARRPYIYBJM-NRFANRHFSA-N 410.478 1.482 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C 1748951073 SENFMCFZXVWJDM-AWEZNQCLSA-N 411.553 1.393 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749198859 VNRMFUMDYSIHJS-HNNXBMFYSA-N 415.523 1.683 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1750646145 OROOIBFKCLLQNN-NRFANRHFSA-N 408.510 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1760192882 OWYJMQMAPQILTF-UHFFFAOYSA-N 402.462 1.323 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760304684 CRTCVWMLAHBHQO-CYBMUJFWSA-N 407.272 1.200 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760465013 VBMFQXPDLILEPT-HNNXBMFYSA-N 406.508 1.887 30 10 HDEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1770597131 LHOFVBFTOVHIQK-CJNGLKHVSA-N 400.574 1.771 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1770740065 ICOFFUNJUUGOAZ-OAHLLOKOSA-N 403.533 1.805 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)F)CC1 1770740392 FXLFWVDBSSECPQ-ZDUSSCGKSA-N 420.399 1.385 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1771348592 YIKUQFHPGLHXQR-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)CC1 1848634944 ZSXAFCFOCIULSV-UHFFFAOYSA-N 412.515 1.997 30 10 HDEE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851527926 OPZDFWGQCUTGJU-ROUUACIJSA-N 410.430 1.974 30 10 HDEE C=CCN(CC(=O)N[C@H]1CC(=O)c2cc(OC)c(OC)cc21)[C@@H]1CCN(C)C1=O 1851727754 POYIZWYRJXYMSI-JKSUJKDBSA-N 401.463 1.166 30 10 HDEE CN1CCN(C2CCN([C@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)C1=O 1853727370 CBSJQPRSXFBUMM-IBGZPJMESA-N 409.490 1.521 30 10 HDEE CN([C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 1853947935 AQOSQHBCEMFYGI-PBHICJAKSA-N 423.922 1.656 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2snnc2CCC)C1=O)[C@@H]1CCN(C)C1=O 1854262078 GKKGYWSYALZOPX-JKSUJKDBSA-N 419.551 1.731 30 10 HDEE C=CCN([C@H]1CCN(C(=O)COc2ccc(OCC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854330690 PRKYRHQYRHBVDR-MOPGFXCFSA-N 415.490 1.310 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3cc(F)ccc3F)C2)cc1 1854401299 MFQJNGKOSORQDT-HNNXBMFYSA-N 408.382 1.927 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855066555 ZYAJEOUCEQEIGU-HZPDHXFCSA-N 402.520 1.238 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 1855449976 BUOKKOBIPOQTRF-LJQANCHMSA-N 407.474 1.885 30 10 HDEE N#Cc1ccc(CC(=O)N2C(=O)CN(CCN3CCOCC3)c3ccccc32)cc1 1855769999 RCUWHPFIOUMNLM-UHFFFAOYSA-N 404.470 1.813 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OC1=O 1856125878 HJRIWMLRAUEZIV-AWEZNQCLSA-N 413.402 1.627 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCN(CCC#N)C4(CCCC4)C3=O)nn2)n1 1856648942 FBNNSCSFWNCNFE-UHFFFAOYSA-N 407.478 1.790 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2C[C@H]2c2ccccn2)c2ccccc21 1856898312 RNWINUABLROGNT-CABCVRRESA-N 410.455 1.808 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cn1cccn1 1857017842 BIATYXXWWXZMJX-INIZCTEOSA-N 414.487 1.728 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@H]1CCN(C)C1=O 1857046129 PQFUIUDQZZTPPO-HKUYNNGSSA-N 416.522 1.708 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4nc(C)sc4C3)CC2=O)CC1=O 1857305304 FAVUAMRTEBDOPV-LSDHHAIUSA-N 402.520 1.219 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861199092 ZGEJXRSJYUPSLJ-FUHWJXTLSA-N 404.486 1.090 30 10 HDEE O=C(O)c1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc1 1862756891 DIULIIDYYHDZEY-INIZCTEOSA-N 412.354 1.864 30 10 HDEE N#Cc1ccc(COc2nonc2CC(=O)N2CCN(c3ccccn3)CC2)cc1 1872636123 BDBJCJDKHMRHTE-UHFFFAOYSA-N 404.430 1.807 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)CC1=O 1872981018 DYAJYRHLEACCEH-VFNWGFHPSA-N 410.474 1.936 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(Cn3cncn3)C2)[C@@H]1c1ccc(C#N)cc1 1892114950 QUFILUFAJNUDDV-VQTJNVASSA-N 424.530 1.702 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1 1962823954 UTEZTWSQYBTGHK-CYBMUJFWSA-N 423.267 1.995 30 10 HDEE CN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)[C@H](C#N)C1 1969771038 OUIZDZKVGSQPRJ-LJQANCHMSA-N 415.538 1.679 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261271 NFWBHKPITAGWNF-LRDNONRASA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1993233584 CJENYGVWBUJTNB-RRFJBIMHSA-N 424.498 1.328 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1CO 2122390982 NPMUJADDCZLISW-WCQYABFASA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 2176034950 QCQOMQSXSQFACR-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180116765 DRBVMQNOIXBNJG-CQSZACIVSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cccnc2C#N)CC(F)(F)C1 2184234659 JABCCLMMTFYSAL-LLVKDONJSA-N 402.423 1.876 30 10 HDEE N#C[C@@H]1CN(CC(=O)CCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 2209549996 RCEXNOJGINVGGL-LJQANCHMSA-N 416.481 1.952 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNC(=O)OC(C)(C)C 2243383888 FRSWOYCZNSYJKT-UHFFFAOYSA-N 408.308 1.457 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243384446 PWYJSKUSODEUIZ-UHFFFAOYSA-N 410.280 1.237 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243419132 RWXHBQAVGURULQ-YPMHNXCESA-N 406.292 1.352 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2247823762 RDUXSGGZTBEOTB-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827921 KTQGRICJITWHKF-OCCSQVGLSA-N 420.319 1.694 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247857770 ISRZGZAJWZGYAG-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)COC1 2247860892 CNEYUOTWASKUSM-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2248404937 QCMQZOAKKYJDOY-AWEZNQCLSA-N 424.278 1.949 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C(N)[C@@H]4C3)cc2Cl)OC1(C)C 2267415539 CHBBKROXTDXSKU-RKDXNWHRSA-N 404.750 1.278 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282203159 LWGGXALQLNKHLW-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)NCCN2CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2282315843 UAVKXEVEAKSCHP-UHFFFAOYSA-N 400.375 1.730 30 10 HDEE COc1ncc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 2282352652 QAPANKGLLVWWOC-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CCN([C@@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282417069 FELWTHSVGXFKDO-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE C[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)N1CCCC1 2282498823 JWZUAVORDVCZHV-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282500160 IHWXKKJCIANHCN-TZMCWYRMSA-N 400.375 1.404 30 10 HDEE CCCNC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282829531 GFVMZOMNQRZXKQ-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE CS[C@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282854945 XQALHWQSCIKMMF-HAQNSBGRSA-N 401.363 1.139 30 10 HDEE CC[C@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282884196 LHGLWJXMFXEZTO-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284400780 YFLNKUCHGFABFQ-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE COc1cc(C=NNC(=S)NN2CCN(C)CC2)cc(Br)c1O 2330434326 MEVCZISTRRBNMR-UHFFFAOYSA-N 402.318 1.124 30 10 HDEE C[C@H](C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2343822250 KYBVFKKNAHYVDL-SECBINFHSA-N 407.750 1.750 30 10 HDEE CC1(C)COC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2361167531 DDSKZAIANIPDSE-GFCCVEGCSA-N 401.359 1.998 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1 2365202338 DSHUSLBKHZKDJE-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCC1(C)C 2365202997 QRRPCSWBHWPNJV-IFXJQAMLSA-N 402.557 1.681 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245226 XZFGIRCIPQXWGG-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)COC1CN(C(=O)OC(C)(C)C)C1 2367793799 DXGUEHUWPDZJCR-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)CC1 2367800386 JEJWEMKIXASBIB-MRXNPFEDSA-N 400.541 1.261 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nc3ccccc3n2CC)CC1 53309673 CIAGLOVJVKONHQ-UHFFFAOYSA-N 401.536 1.595 30 10 HDEE C/C=C(/C=C(C)/C=C/C=C/C=C(\C)C(=O)[C@]12O[C@H]1[C@](O)(CCO)NC2=O)C(=O)OC 77256938 OHWILISHWFHITP-LGNKLOIOSA-N 417.458 1.018 30 10 HDEE CC[C@@H](CC#N)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130059452 WYZYNKRPAVIRQT-QMMMGPOBSA-N 408.217 1.960 30 10 HDEE C=CCN1C(=O)C(c2ccc([N+](=O)[O-])cc2)=C(N2CCN(c3ncccn3)CC2)C1=O 169978766 JEZGDVNEFTYQKX-UHFFFAOYSA-N 420.429 1.473 30 10 HDEE Cc1ccc(Cn2c(=O)c3c([nH]/c(=N\N=Cc4ccccn4)n3C)n(C)c2=O)cc1 254856585 ZXEDOGBSULNOQG-UHFFFAOYSA-N 403.446 1.053 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCO1 410137344 MUKXQSCYYSOFIP-YOEHRIQHSA-N 424.910 1.557 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CC(Oc4ccc(C#N)cc4)C3)cc21 427270898 ZCRAWGUHBLAVNV-UHFFFAOYSA-N 402.410 1.638 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCCC(=O)OC)cc2)CC1 438201120 KYJZXRIHXKWCOF-UHFFFAOYSA-N 404.467 1.080 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461744593 GXUGOWJOGXCSAR-UHFFFAOYSA-N 410.459 1.755 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1cnc(N2CCOCC2)c(F)c1 464197878 GJVHWCFILHBRCG-UHFFFAOYSA-N 406.439 1.416 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 465014193 RSMXCOYJRSFRGO-IAGOWNOFSA-N 421.505 1.856 30 10 HDEE COC(=O)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Oc1ccc(F)cc1 480736992 VNCOOSDFRLXVLI-KRWDZBQOSA-N 410.398 1.876 30 10 HDEE CC(C)n1ncnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 506478426 SPPCQORYNMMMRI-UHFFFAOYSA-N 416.507 1.448 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 532454792 QEMLENNNJXUMAY-ZDUSSCGKSA-N 401.444 1.328 30 10 HDEE C=CCNC(=O)CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 537499412 AHTYRWUEMFBRSG-UHFFFAOYSA-N 413.499 1.466 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)cn1C 537995799 OYCXMDDMGPWZNK-UHFFFAOYSA-N 423.498 1.862 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 542153007 BKAWOTIFLHGEML-VBKZILBWSA-N 403.483 1.289 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCS(=O)(=O)c3ccccc3)CC2)n1 546877193 KMJGZJVLOSQFJO-UHFFFAOYSA-N 413.503 1.649 30 10 HDEE CCOC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546893058 JDGJMBYETGTKER-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE N#Cc1cccc(N2CCN(CCCn3c(=O)oc4ccc([N+](=O)[O-])cc43)CC2)n1 546919797 SZARQWSOPGOIOT-UHFFFAOYSA-N 408.418 1.982 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1 609596846 CTFDIRHOYJUKHV-UHFFFAOYSA-N 414.487 1.616 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)cn1 610187896 VGOHIDIPOATWLT-QGZVFWFLSA-N 415.519 1.896 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)c1 659162904 WGZLUXDNXDDMTH-UHFFFAOYSA-N 406.463 1.850 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2noc(C)n2)CC1 685532337 ZQYGFEJHCGXPQB-UHFFFAOYSA-N 411.514 1.729 30 10 HDEE C#CCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)[C@H]1CCS(=O)(=O)C1 729331812 HKHCZSQLAUITEC-KRWDZBQOSA-N 418.902 1.813 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C)cc1 731728237 KETCFUDWILAMHP-HNNXBMFYSA-N 409.508 1.891 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732462036 DKSCTXVCGRYWAO-VUAZUDAXSA-N 421.498 1.459 30 10 HDEE N#C[C@H]1CN(Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)CCN1C1CC1 732665914 ABVSTQAFAXARBE-AWEZNQCLSA-N 417.564 1.648 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 741685554 BWHOYYPGJNSGAY-ZWKOTPCHSA-N 420.554 1.354 30 10 HDEE C#CCN(C(=O)c1cccc(F)c1I)[C@@H]1CCS(=O)(=O)C1 749822988 OHOIMGOSRFJXGU-SNVBAGLBSA-N 421.231 1.693 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C)C1 760297318 WCUHFIJQWFBTOO-GOEBONIOSA-N 417.535 1.866 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)CSCc1ccc(C#N)cc1 768019815 JHFWSCTXZSZGDJ-UHFFFAOYSA-N 411.486 1.540 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@@H]1CCS(=O)(=O)C1 774185426 DLXRAFDEEBYYBK-IAGOWNOFSA-N 409.577 1.792 30 10 HDEE COCCCOC1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 777566840 OKBNSPQAXMCYQX-UZYVYHOESA-N 424.523 1.769 30 10 HDEE COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780205003 JODLANWLVXAKQG-NRFANRHFSA-N 409.442 1.492 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 780206752 UQAGVDCQGGOEBZ-UHFFFAOYSA-N 403.870 1.367 30 10 HDEE C[C@H](OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)N(C)CCC#N 780256573 UHVCCTBIJKKKGQ-MGPUTAFESA-N 403.435 1.376 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 786469225 PPCFYKBDXIXOQS-BPLDGKMQSA-N 423.491 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)n1 788693974 KNHLJOXGWOXQRL-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790504333 SVQGCSSOVIAZKE-KXBFYZLASA-N 415.556 1.872 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 790871111 NHRBQQGYEZUBFP-ZBFHGGJFSA-N 408.455 1.876 30 10 HDEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 792745510 FOWGXMJRDGKWJH-WMZOPIPTSA-N 411.531 1.969 30 10 HDEE CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)c1 807940313 VXYOYTBGQXOCRI-OAHLLOKOSA-N 402.480 1.482 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 809897166 XRPQANASWWYRNH-HUUCEWRRSA-N 420.514 1.487 30 10 HDEE COc1ccccc1CCNC(=O)CON=CC(=O)Nc1cccc([N+](=O)[O-])c1 818613176 IEWAZGBCOVRJKK-UHFFFAOYSA-N 400.391 1.903 30 10 HDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1 1084136343 KHUVHVCRBFPTPF-UHFFFAOYSA-N 411.491 1.860 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=NNC(N)=S)C1 1084582736 NENJYFAJOHEUCS-CYBMUJFWSA-N 406.512 1.847 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@H](CS(C)(=O)=O)C1 1129189170 OSDNJTZREWLZMY-GJZGRUSLSA-N 401.529 1.857 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 1134267738 GLVMQZWGTWZKMB-KHYOSLBOSA-N 407.492 1.239 30 10 HDEE N#Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)ccn1 1139855764 LDROHMYJLUQBCF-NVAPOSRTSA-N 403.442 1.373 30 10 HDEE CC(C)(C)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(O)n1 1151467119 LSJZXPWWHAYVCZ-UHFFFAOYSA-N 416.503 1.830 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)OCCc2ccccc21 1153380032 BLGMSPHUGLPGTL-BTYIYWSLSA-N 413.499 1.829 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1157884027 CWWMUOZHHWFFTG-YXUGBTPSSA-N 409.508 1.030 30 10 HDEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1175763270 ASILODJZWDYSTR-HDJSIYSDSA-N 412.309 1.449 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)c1 1177321592 KEUPOUHREFWYBR-CQSZACIVSA-N 405.442 1.907 30 10 HDEE CCN(CCC#N)C(=O)Cn1nnnc1Cc1cc(Br)ccc1OC 1188852570 AJIHGFCPLVBSBP-UHFFFAOYSA-N 407.272 1.797 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)c1 1191333930 VEHAYQJQEJLVPE-UHFFFAOYSA-N 406.529 1.976 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(S(=O)(=O)NC(C)C)CC1 1194292715 WSYKSSRQLHCIKY-INIZCTEOSA-N 414.597 1.512 30 10 HDEE CNC(=O)C1(NCCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCOCC1 1197825931 HHRQVFBFXGWNCR-CYBMUJFWSA-N 404.536 1.958 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1 1213831881 MZLMUJRELGZTGO-UHFFFAOYSA-N 407.511 1.780 30 10 HDEE CC[C@H](Cc1cn(C)c2ccccc12)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1253974965 VLSXQSMFOWGXDR-MRXNPFEDSA-N 420.473 1.900 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1286381481 MTZGDLLIIJAWTP-OKILXGFUSA-N 400.487 1.295 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1286388586 RWOPPBJPCBMFRN-INIZCTEOSA-N 404.492 1.227 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C 1286450864 ZXXDYXZGFCRCCR-LIRRHRJNSA-N 403.508 1.269 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1286465040 IMOCLECCHJSSLT-KRWDZBQOSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@H]2COCCO2)CC1 1286472616 KFRNAXILMRMDJI-RTWAWAEBSA-N 409.534 1.991 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(COC)CCOCC2)CC1 1286482490 SVRRBYIFBJGFEK-UHFFFAOYSA-N 424.549 1.462 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1)C1CC1 1286738557 WVHDWOZTHOAJEF-RXBISOJRSA-N 412.581 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H](CN3CCOCC3)C2)CC1 1294091384 POMAWLPVONXWEN-LJQANCHMSA-N 405.539 1.818 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)COCC3CC3)C2)C1 1294796757 XONUYBDQMJXYTQ-CXIVCQEWSA-N 407.511 1.677 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(OCCO)CC3)C2)C1 1295126716 RESYEURIWBRZJQ-ZGOJQLDESA-N 407.511 1.773 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CCO1 1299135272 XOVHXXLLEMBUFC-QZTJIDSGSA-N 408.462 1.113 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2ccccc2NC1=O 1300146004 HCWBWYSHEBWTKE-INIZCTEOSA-N 412.471 1.185 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1300495390 GZARCHOHJUYHAV-GJZGRUSLSA-N 421.548 1.651 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300498094 GOWGOZJCLMUYBS-PKOBYXMFSA-N 416.547 1.839 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCOC2)CC1 1300685432 NQEUNEAXZDHTIT-WIYYLYMNSA-N 403.527 1.112 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(COC)CCOCC2)CC1 1300696099 TWYPPKLDVBEHNS-UHFFFAOYSA-N 424.549 1.847 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)CC1 1300699437 CQHHEJBGPJBRQA-LJQANCHMSA-N 417.554 1.513 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1300760844 IBVCKDNBROMIGZ-IKGGRYGDSA-N 403.552 1.786 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1300802300 MBJXPNZYWKXWDI-VQIMIIECSA-N 407.540 1.547 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OCC)CCOC1 1301055139 FIXKXTTVHNXOSW-WMLDXEAASA-N 420.963 1.942 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNc2ccccn2)CC1 1301065960 LAXCVKSZELAOGL-MRXNPFEDSA-N 419.555 1.942 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301259123 GJWFVKUEJZNTCW-ROUUACIJSA-N 419.526 1.377 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1301298198 ZXFLOPWUVJKKFG-HOTGVXAUSA-N 423.514 1.624 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@H](C)O1 1301358485 CCDLUVNCHWKPJM-HNAYVOBHSA-N 412.494 1.583 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301505812 BHFKPHQIPIQYCC-OAQYLSRUSA-N 414.485 1.273 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCOCCS(C)(=O)=O)C1 1301539126 NVYDYYGYBVGCSX-OAHLLOKOSA-N 400.545 1.418 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1301648551 CEQOIKVUNNJNIA-HNNXBMFYSA-N 408.466 1.496 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1COCCO1 1303419482 MASYIDRUWQSCOX-QRVBRYPASA-N 424.505 1.575 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1OCCC1(C)C 1303849491 MPHQLCNDDBEKAQ-QMTMVMCOSA-N 424.571 1.833 30 10 HDEE CCc1nnc(N2CC[C@H](CN(CC)CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306132348 GTNVYAUULMGBEO-ZBBYCGENSA-N 415.542 1.535 30 10 HDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC)C1CC1 1313618440 BETBCMXWFYESGX-UHFFFAOYSA-N 404.496 1.267 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](F)COC 1314394107 VRWYHBVLRGPHIV-MRXNPFEDSA-N 403.462 1.392 30 10 HDEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1315953684 HYIVKMCTODIYCS-SUMWQHHRSA-N 416.523 1.393 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC3(C(F)(F)F)CC3)CC2)o1 1324488406 DCFXQNSLGWMRGK-UHFFFAOYSA-N 400.357 1.779 30 10 HDEE COc1ccc(NC(=O)CC2(C#N)CCOCC2)c(N2CCN(C(C)=O)CC2)n1 1351974230 NFNAQVCHXNEWFD-UHFFFAOYSA-N 401.467 1.408 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(O)(CC)CC 1358941193 ATMVSGYYZNMPOB-UHFFFAOYSA-N 419.551 1.816 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1358951954 SDTRIZODNSTJFB-KRWDZBQOSA-N 410.478 1.130 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358964092 SZRGUCNYITZKMJ-IRXDYDNUSA-N 423.583 1.408 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358964936 KHEGNBVZIVLZDG-FXAWDEMLSA-N 417.535 1.052 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1359001967 ISKMBIJCMUVBCW-NRFANRHFSA-N 403.527 1.255 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1359230002 BRYUWAYZTXAGBD-HNNXBMFYSA-N 413.482 1.043 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 1359292037 GUAGKSGRBYOLGF-HXUWFJFHSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(=O)OC)C1 1359303587 UNGRZCMITMNUTF-KRWDZBQOSA-N 422.489 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359330471 SPRGQNJOMFVVMD-MAUKXSAKSA-N 417.535 1.945 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2ccco2)C1 1359336347 MQQARKWQOQISMX-SJORKVTESA-N 422.507 1.901 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1nnn(C)n1 1359867994 GXRNVJDHOXIAOK-KRWDZBQOSA-N 407.482 1.498 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1360470810 VHGNHORYQWXUMM-CQSZACIVSA-N 413.438 1.450 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1360785488 WOBNCIZHAUDJRV-HRAATJIYSA-N 422.493 1.382 30 10 HDEE CCn1nncc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1453895998 JNURCTBIWTZTLP-UHFFFAOYSA-N 404.496 1.213 30 10 HDEE C#CCOc1ccc(NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1465628255 CKYOPYCMSAGVFG-SFHVURJKSA-N 408.524 1.775 30 10 HDEE C#CCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1466881304 UQRYJPHTVSYADV-CQSZACIVSA-N 406.464 1.211 30 10 HDEE C#CC[C@@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 1470239556 ODIVTAMZUJFGQF-KKSFZXQISA-N 406.527 1.235 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OCC 1471118401 NPQRICYGMPPJNQ-WCQYABFASA-N 403.863 1.847 30 10 HDEE CC(C)N1CCC(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1473289621 NBFMDEYOKXMKAU-UHFFFAOYSA-N 408.546 1.776 30 10 HDEE CCOC(=O)C1=C(CN(C)C[C@H](O)c2cccc(C#N)c2)NC(=O)N[C@H]1c1ccco1 1473620599 MWOZTXIGMMJJQA-PXNSSMCTSA-N 424.457 1.988 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1475698299 UHTNIBAYUFCHCE-UHFFFAOYSA-N 413.565 1.093 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CCCC[C@@H]1CN(C(=O)NCCn1cnc(C#N)n1)C2 1478603706 JROBJRPZHRDQDZ-FOIQADDNSA-N 417.514 1.876 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C1CCOCC1 1478604033 RQYDPIFMGKMYKD-MOPGFXCFSA-N 415.490 1.532 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(N(C)C)CCOCC1 1499162939 ZBVRJUTVYMHYOU-UHFFFAOYSA-N 424.553 1.545 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCOC[C@@H]1C 1504888401 QAFYOPSVSLIOEH-ROUUACIJSA-N 406.531 1.259 30 10 HDEE CO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1505112153 ADYFNVJMNZANAX-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1505146147 CNLRCXFMOWGANY-UHFFFAOYSA-N 420.514 1.687 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(O)(CCC)CCC 1507654129 WFWUWTCDBHMGSC-QGZVFWFLSA-N 406.552 1.584 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCSC2)CC1 1507716359 QFRGGGZVISYKMP-KRWDZBQOSA-N 402.568 1.413 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC=C 1507761817 RPCBSCWDKSBVRG-NHCUHLMSSA-N 401.511 1.613 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCOCC1 1507762002 SSHABZPFTUTWPE-IRLDBZIGSA-N 418.538 1.852 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNC(=O)C(C)C 1507800764 PBLKBVUFTGPOSU-WMZOPIPTSA-N 413.526 1.925 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1507941709 JDWFXVYVSNQTGH-MRXNPFEDSA-N 421.509 1.979 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N(C)Cc1cnn(C)c1 1508090188 DHDICRRPAUBZRP-UHFFFAOYSA-N 409.494 1.838 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@]1(C)CCCS1 1510148009 FKWWUXJZDIWSBR-WWGRRREGSA-N 400.574 1.912 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1517410105 PESNVBJYZJZXEZ-UXHICEINSA-N 416.432 1.916 30 10 HDEE CSCC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N(C)C 1524212491 OLSHRBXAXBOVQF-KBPBESRZSA-N 400.545 1.900 30 10 HDEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccc(Cl)cc1 1525037521 BQNBOSZAHPASNE-IPELMVKDSA-N 400.866 1.853 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)nn1 1526728651 UFZMUBYWBQWRAP-UHFFFAOYSA-N 405.361 1.718 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccccc2Br)C1 1529753384 LYEWDJBEDZDMKZ-FZMZJTMJSA-N 400.298 1.802 30 10 HDEE Cn1nc2c(c1C(=O)NCC#Cc1cccc(C(F)(F)F)c1)CS(=O)(=O)CC2 1532491204 HPXLMWLEPUVLJC-UHFFFAOYSA-N 411.405 1.691 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cn(C)nc1I)C(=O)OCC 1535344909 KXPBKZDUOPEFMI-SECBINFHSA-N 411.627 1.829 30 10 HDEE COC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ncccc2c1 1538320420 DRARQBMGCLYYFO-UHFFFAOYSA-N 424.438 1.699 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1539004958 XASVPCQKOUBOOE-ZDUSSCGKSA-N 400.439 1.306 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539072790 WLTFVEVFHZLXGY-GOSISDBHSA-N 422.537 1.826 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1539247113 VVIYFJYFSWCTJD-UHFFFAOYSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOCC1(C)C 1539251692 NIGQQRDXSDJBGO-UHFFFAOYSA-N 421.501 1.857 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539516856 FLGFWPOWFPANIH-WMZOPIPTSA-N 400.552 1.715 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539804584 YOESXBXBMYFEJK-CBBWQLFWSA-N 400.932 1.794 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539965969 CQAYPCVTGFEDBS-QZTJIDSGSA-N 423.583 1.841 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1540590785 AKAUFWKCEHAWMH-MRXNPFEDSA-N 415.494 1.347 30 10 HDEE N#CC1(CC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCOCC1 1541013421 YLPHHBRRJXGQHH-SFHVURJKSA-N 415.490 1.687 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1541907695 CAKIYGCUQBNLGB-SIBFUHKCSA-N 424.571 1.568 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1542250215 UEONCKXIAFMVOR-QZTJIDSGSA-N 410.478 1.597 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1=O 1554352850 KSOPEFMLZDRNJQ-OAQYLSRUSA-N 422.493 1.534 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1555267278 SIBJZLYJAYHAEB-KDOFPFPSSA-N 400.458 1.858 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)n2C)c1 1556577494 CWLVTAQUPIQZOH-UHFFFAOYSA-N 403.508 1.769 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 1557352000 KWHAHAQUCSWCLM-MVYQIASVSA-N 424.501 1.405 30 10 HDEE COc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)ccc1OCC(N)=O 1557923594 QJNVDPNVSUDWOO-UHFFFAOYSA-N 409.442 1.867 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccc3c(c1)COC3)C2 1558675804 POUPSIWSTGPDES-UHFFFAOYSA-N 418.500 1.095 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ccc(Br)c(C(=O)OCC)n2)CC1 1559098689 XVFQJUDCZQRPAQ-UHFFFAOYSA-N 423.311 1.282 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1 1562074653 KIUQVGGNQOSFPH-UHFFFAOYSA-N 417.462 1.788 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C1CC1 1565630126 SHVWQXBETHBZGM-PFANNTFUSA-N 418.494 1.807 30 10 HDEE C=CCOC[C@@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C(=O)OC 1568154423 IROIIOXUQLTROV-TZMCWYRMSA-N 411.252 1.735 30 10 HDEE CC(C)(CO)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1570776104 PJXGQICDSQPKOP-GOSISDBHSA-N 416.503 1.763 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1583811752 KNUZSYAJWRRMSF-LJQANCHMSA-N 417.487 1.289 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2cccc(F)c2)cc1 1584633535 IDEHPLFOCWIOCE-IBGZPJMESA-N 402.447 1.951 30 10 HDEE N#Cc1cccc(C2(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)CCOCC2)c1 1584872594 XMROQBUULCXTHU-UHFFFAOYSA-N 413.499 1.960 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 1585295251 BKGAPEKPKBDCCE-UEWPHISMSA-N 424.501 1.168 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)c1 1587196576 YAGSMJDEBWXJJY-UHFFFAOYSA-N 413.499 1.377 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1587862025 SCZHZCKPLCQUMM-GOSISDBHSA-N 423.583 1.141 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN(C)C(C)C 1587931740 BXXKVFLIYHMPLV-UHFFFAOYSA-N 418.567 1.605 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588064535 JYOWBDCPINMNQK-CGTJXYLNSA-N 406.552 1.672 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCc2cnccn2)CC1 1588071386 CEFJBYIFGOGRSQ-GOSISDBHSA-N 401.511 1.470 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC2)cc1 1588158564 WIYGLZSBYBUAJR-UHFFFAOYSA-N 413.503 1.167 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1 1588181109 OXNYHEXSIJWBMX-QGZVFWFLSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1588258679 HEZNMSHPRDMSPO-UHFFFAOYSA-N 408.506 1.724 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCC1 1588613019 QHZFWEJZGHPJNR-UHFFFAOYSA-N 411.506 1.898 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc3ccccc3[nH]2)CC1 1588733635 WZIFYEVHMDQNDC-UHFFFAOYSA-N 419.533 1.896 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1588812884 UXXVFVFMIOLVFW-HXUWFJFHSA-N 413.614 1.717 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1588813300 WXNWZXVZXZZSNK-IBGZPJMESA-N 409.538 1.437 30 10 HDEE C#Cc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1595319670 BOZDSHMJBNSRJE-QGZVFWFLSA-N 406.504 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595529701 DVQDPOGKOUDMDF-MRXNPFEDSA-N 409.494 1.152 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)C1 1595721340 FAABTRAFDNNGKD-IRXDYDNUSA-N 420.539 1.226 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)C)C1 1595745133 QCDSUFBODXFEAJ-GOSISDBHSA-N 415.542 1.693 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1 1595790080 IPNYPMRXNYNJFA-MJGOQNOKSA-N 401.532 1.814 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C[C@H](O)CC4(C#N)CCC4)CC3)C2=O)n(C)n1 1617139710 JNLXUZJCRVESEK-MOPGFXCFSA-N 414.554 1.286 30 10 HDEE CN(C)CCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1617703365 WHLUEBKWYSFHEV-UHFFFAOYSA-N 413.526 1.689 30 10 HDEE N#C[C@]12CN(C(=O)C3(OCc4ccccc4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1618171722 JHFWVJLNBVRBMT-PKOBYXMFSA-N 404.488 1.149 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC2(C1)OCCO2 1618762003 KMFCUFBDHQXCFZ-KRWDZBQOSA-N 424.505 1.932 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](CNS(C)(=O)=O)C3)c2C#N)C1 1620561550 ACSDCOCKEWGAGZ-KBPBESRZSA-N 424.592 1.944 30 10 HDEE Cc1ccc(C(=O)N2CCC(N3CCNC3=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1625230514 RLDZWSJFQAQKAO-UHFFFAOYSA-N 413.327 1.924 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1625284364 IKTCBUYLQPUNDM-CTNGQTDRSA-N 416.474 1.538 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCC(=O)NCC(=O)NCc3ccccc3)cc21 1627747050 ZSTCOIVAHHRREM-UHFFFAOYSA-N 420.473 1.776 30 10 HDEE CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1 1630662298 SQDHMRLCSKMLBL-MRXNPFEDSA-N 417.453 1.958 30 10 HDEE N#Cc1ccc(NCC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)nc1 1632070357 BSMWNKQYNOESIX-UHFFFAOYSA-N 405.462 1.457 30 10 HDEE Cn1cc([C@@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1633112001 MRHSPCKBPUVVRT-PLDFALSOSA-N 403.483 1.357 30 10 HDEE Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C 1638511983 WJKXHMULQTVXPT-IBGZPJMESA-N 415.515 1.829 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1640283237 BMQFFHYZBNKVNZ-WMZOPIPTSA-N 416.478 1.279 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CCN(CCC#N)CC3)CCC2)CC1 1642919374 QKJBJAQSQLMRJZ-UHFFFAOYSA-N 420.554 1.977 30 10 HDEE C#CCC1(O)CCN(C(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)CC1 1643516304 FKBZAMYNAXIENK-UHFFFAOYSA-N 409.508 1.259 30 10 HDEE Cc1noc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1644134192 ABMJCEYEEKJTHL-UHFFFAOYSA-N 403.464 1.309 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@](C)(C#N)C1 1647827772 HALVETLKXRGVOR-HNAYVOBHSA-N 406.508 1.270 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 1648497338 KGXBMVDESMUKCF-HOTGVXAUSA-N 421.519 1.985 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)cc1 1658659094 LPKGWYSWONUNRK-IBGZPJMESA-N 407.492 1.172 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)N(CCC#N)c3cccc(C)c3C)C[C@@H]12 1659466864 JZFUEKSCEIJGFU-UHOSZYNNSA-N 405.520 1.294 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN(CC)CC)CC2)cc1 1659499182 FIFQEUXCXUEDIB-UHFFFAOYSA-N 405.564 1.917 30 10 HDEE Cc1ccc(S(=O)(=O)C2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)cc1 1665304593 HQELFIGPZADLSK-UHFFFAOYSA-N 405.501 1.889 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)nn1 1667579026 UGUAMGKHWLOEOA-LBPRGKRZSA-N 418.429 1.606 30 10 HDEE C=CCSCCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1668520928 OXZZMXKEVDXVAP-IAGOWNOFSA-N 414.549 1.861 30 10 HDEE CCCN1C[C@@H](CNC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CC1=O 1670537295 IDOBBNGJRJLOIB-CQSZACIVSA-N 419.482 1.563 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCN3C(=O)COc4ccccc43)CC2)cn1 1681768632 FDKROOYPNFBWKZ-UHFFFAOYSA-N 406.446 1.210 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C1CCOCC1 1683404989 QBSBOBOLOXOLAJ-AEFFLSMTSA-N 405.470 1.467 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2nc(-c3ccncc3)n[nH]2)CC1 1683413083 AUBJOFAJRKDHKD-UHFFFAOYSA-N 406.425 1.909 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 1683821427 ZZFBAPYHAOAPCS-LNLFQRSKSA-N 418.519 1.532 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1685503548 DKKRPSVSUZSEMF-FGTMMUONSA-N 418.494 1.867 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)OC(C)(C)C)C2 1685845457 CLSWSMIQQIHFLL-KKUMJFAQSA-N 401.529 1.674 30 10 HDEE C#CCOc1ccc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 1686550535 WCSOCTBAQNJBHL-UHFFFAOYSA-N 422.485 1.273 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1690120377 SNCKIVDMKXEHOB-UHFFFAOYSA-N 420.496 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)no2)CC1 1690146835 YSSPTAYCSZFJLO-QGZVFWFLSA-N 412.494 1.483 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690428463 QKDPPIDMEXZTHT-UHFFFAOYSA-N 424.553 1.738 30 10 HDEE C=CCCCCn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690451424 GTFWRSVCHGJOQO-UHFFFAOYSA-N 402.543 1.883 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1690497940 YVSKRWCJIMHZOA-KRWDZBQOSA-N 404.559 1.749 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(c2ncc(Cl)cc2Cl)CC1 1690660753 NVWGSHBCDSHWJJ-UHFFFAOYSA-N 410.309 1.917 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(N)=O)c2)C1 1690699548 GPRRONGJTCMLAU-MOPGFXCFSA-N 411.506 1.905 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nc(C)no2)C1 1690711830 IYVKYJAHRNZFGP-INIZCTEOSA-N 415.498 1.506 30 10 HDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690748709 DWSAXZIRUHELGM-QGZVFWFLSA-N 419.526 1.878 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@H]2C)cs1 1693341094 IQPNOUAEAZYXJF-LSDHHAIUSA-N 403.556 1.950 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1696891847 LHQDSKQVAXIGPO-HZPDHXFCSA-N 424.461 1.703 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705532092 FWVNOZBAEQCLJX-ZWKOTPCHSA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1705540454 AIOIBLNWIVBEGE-OAHLLOKOSA-N 404.515 1.885 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705555489 NLEARYHNTNOVKR-SFHVURJKSA-N 414.579 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1C 1705577331 XXCKGMCWMYWTII-IEBWSBKVSA-N 416.489 1.666 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1705610897 JFFPXYQWUYGXIU-INIZCTEOSA-N 424.505 1.796 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(=O)NCc1ccco1 1705627979 UNXDMJRSJVNLTL-QGZVFWFLSA-N 401.467 1.515 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705649986 KNESHUFGNMESKJ-GOSISDBHSA-N 400.571 1.927 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOCC)CC1 1705699436 GWPOIVZJHDXGIC-UFYCRDLUSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1705832646 DLECSVUQOLFGEK-UHFFFAOYSA-N 408.304 1.796 30 10 HDEE C=CCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1705893933 WENADBQVFCPZAW-FQEVSTJZSA-N 404.515 1.454 30 10 HDEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1710992435 GIUXLMKKGQRJCB-SFHVURJKSA-N 414.535 1.392 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1712454639 JAWVOHRIVAPADF-MRXNPFEDSA-N 415.498 1.588 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1CCOC1 1712563596 ZPUCDVFMPGDFAP-LMMKCTJWSA-N 418.542 1.605 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722368403 RBNHPMPXCSMCCG-XHSDSOJGSA-N 410.565 1.162 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1722388115 VKIUMNZNPZJGJF-GOSISDBHSA-N 411.506 1.520 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@H]2CCOC2)cn1 1722416694 PGUOMYCQYYKPKU-IBGZPJMESA-N 422.537 2.000 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCN2CC)CC1 1722438854 FAMMMEJAQADGNY-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)C(C)C)CC1 1722448133 SMAJRYQUGAUXHS-IBGZPJMESA-N 416.570 1.826 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722453347 RCLLUGVVTKVOKJ-IRXDYDNUSA-N 403.552 1.743 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCCOC 1722474294 NINLVSXMUCHOGB-QFBILLFUSA-N 410.540 1.225 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722506737 VZJBJWOKKWQLLR-IEBWSBKVSA-N 423.583 1.684 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1722616932 DIHBMWAEPDAXAS-DLBZAZTESA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(C)C)CC1 1722728803 YXJAPWJHWXNDKD-UHFFFAOYSA-N 421.571 1.246 30 10 HDEE Cc1nnc([C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)o1 1726244191 GNTPLNNOAUQQNY-MRXNPFEDSA-N 409.450 1.857 30 10 HDEE C#CCC1(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1739966211 KTJUCKOTQWQJRL-FYBDHJHVSA-N 414.546 1.973 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1740589135 POMZJWCDTNEDJP-SFHVURJKSA-N 423.477 1.877 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740616336 ZAAZVAYNFBIOKI-QZTJIDSGSA-N 421.611 1.934 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1740617066 LGLWMFNKONFOLY-KRWDZBQOSA-N 403.508 1.444 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1740646164 RIAZMMMXNKQCKK-UHFFFAOYSA-N 423.608 1.417 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1740661724 IMTBWUPWGICIQV-OAHLLOKOSA-N 410.482 1.848 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC)cc2)CC1 1740694237 CUEAOUBQAPUETD-LJQANCHMSA-N 408.506 1.431 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1740795470 VRYJCOBQNOOWEG-INIZCTEOSA-N 410.540 1.390 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1740889166 ZNOQIUISTAXRDL-XLIONFOSSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1740903110 LOZLYPYZUXKMEO-INIZCTEOSA-N 407.478 1.892 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C)C(=O)[C@H]1C 1740954233 GSLUYDLKRWMESX-CQSZACIVSA-N 408.462 1.660 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740958166 JPGXONNXWTYMTI-IAGOWNOFSA-N 404.515 1.174 30 10 HDEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1742551005 BSPIBYVYSIVRBE-CMPLNLGQSA-N 411.557 1.606 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCOC1 1746663129 YQLLKBAQGVFCNV-YWZLYKJASA-N 401.467 1.916 30 10 HDEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747596316 FKOPXRBWOXHPKE-GOSISDBHSA-N 410.526 1.095 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1748785451 XNMHLHAMKJIWNM-INIZCTEOSA-N 424.505 1.796 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1748789737 BIDAXSSQRCLTNW-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCC2)CC1 1749020192 NRLMTHFDUXESMN-GOSISDBHSA-N 400.527 1.191 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749229264 IKVIKLXQKYKCAR-MSOLQXFVSA-N 402.499 1.477 30 10 HDEE C=CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1749408506 KLJGBPJCFWBTFE-UWJYYQICSA-N 421.542 1.626 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1749566289 YSKPNEZMPDBSOQ-IERDGZPVSA-N 422.493 1.639 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749724505 KCCYKOZWCNZJMV-HIFRSBDPSA-N 422.463 1.561 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1750117524 CIFZROWRWCYHFX-BJMYLWLSSA-N 416.526 1.609 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCCC2)n1 1751853190 BFDRTMHABWICGX-QFBILLFUSA-N 412.542 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1760099547 IIDRABWAMKNWNS-JXFKEZNVSA-N 424.567 1.744 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1760105944 WARPDLLYNOANRH-INIZCTEOSA-N 421.509 1.541 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N(C)C 1760208866 LMJVIJSGTZSHBP-UHFFFAOYSA-N 406.490 1.698 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC(=C)Cl)n1 1760252566 PQIAFKWJRNHLTP-INIZCTEOSA-N 417.901 1.464 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1760255541 DJZLJENPKIWIIT-JOCHJYFZSA-N 408.506 1.187 30 10 HDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)c1ccccc1 1760362968 AVSJWGYFHMALEJ-KRWDZBQOSA-N 420.560 1.462 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 1760389074 BFPKNAQJPMWPRO-HNNXBMFYSA-N 409.556 1.641 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1760464679 MMCUDMNWDZRGIW-AWEZNQCLSA-N 403.574 1.376 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1760464882 QZFLSNYUBKWTBL-OAHLLOKOSA-N 411.553 1.651 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760519793 PUMLRCVVULUBLN-QGZVFWFLSA-N 412.494 1.962 30 10 HDEE Cc1ccccc1-c1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762078257 UPWZERHOZDINFS-CZIZESTLSA-N 408.462 1.617 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCSCCCO 1763101107 CYTXZQMYTQWWGZ-UHFFFAOYSA-N 401.540 1.549 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCOCC2)CCO1 1770746425 FSKIHEPQPQESGR-MRXNPFEDSA-N 403.870 1.869 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)cc1 1848941842 NPGQTITURRMCJF-UHFFFAOYSA-N 424.482 1.723 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)CC1=O 1849320659 HRNYNUSLDISIQW-INIZCTEOSA-N 412.465 1.809 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)NC1CCN(c2nccn(C)c2=O)CC1)c1ccccc1 1852067561 AEUOOKWZOIMGTQ-LJQANCHMSA-N 424.501 1.768 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NCCS(=O)(=O)N2CCCCC2)n1 1852123727 MEKPDTRMEWPXIV-UHFFFAOYSA-N 404.414 1.826 30 10 HDEE Cn1ncc(C#N)c1NC(=O)c1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccn1 1852296099 KFEMNKJVUGMLML-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N(C)C)c2ccc3c(c2)OCCO3)CC1 1853476117 LABUSUPWGCNFBL-UHFFFAOYSA-N 423.491 1.252 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)CCc3ccon3)C2=O)C1 1854872220 FKCSTQVBYCMOPZ-GOSISDBHSA-N 409.446 1.545 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC4(CCc5ccccc5O4)C3)C2=O)CC1=O 1856459265 JGXMSUUFBYYQTM-ZWKOTPCHSA-N 409.486 1.228 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(C)c3)C2)CC1=O 1856787541 PYBKIZUWUQBQKI-DLBZAZTESA-N 408.476 1.018 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(Cl)c2)C1)[C@@H]1CCN(C)C1=O 1857066967 BOALFETZNWGQIJ-GOEBONIOSA-N 404.898 1.833 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857264732 OQFWTSYMEDXDEK-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCN(c4ncccn4)CC3)CC2)c1 1860620342 PHJRLWRCMYILBY-UHFFFAOYSA-N 404.474 1.549 30 10 HDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H](C)O)CC1 1870349353 KNWGAQQIOCQADZ-KRWDZBQOSA-N 424.501 1.344 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1 1874338622 YQAKATLGEGAKBH-UMXKZIAQSA-N 417.491 1.855 30 10 HDEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)cc1O 1874380198 HUJVTDUPQFPVHD-ZVBGSRNCSA-N 401.423 1.879 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cccc(OC)c1O 1874470433 FMTROJZFHVHWIB-RGVLZGJSSA-N 407.496 1.682 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)CC1 1890130916 LTHBPKKAWLZRRE-UHFFFAOYSA-N 412.490 1.807 30 10 HDEE CN(C)CC#CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1890775866 LNHPYGUXSNKSSS-UHFFFAOYSA-N 403.548 1.888 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc1 1891509542 NPXOLMFBMISGCX-UHFFFAOYSA-N 423.502 1.349 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccns1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130081755 NFSGDDCUVOQFDL-SECBINFHSA-N 401.344 1.938 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1COC[C@H]1NS(=O)(=O)CC1(C#N)CCCCC1 2174785306 XKBGNRGQELQPRK-HUUCEWRRSA-N 401.529 1.920 30 10 HDEE C#CCN(C(=O)[C@H](F)C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2199085454 HNMUDGDPOSEQNF-NEXFUWMNSA-N 402.488 1.277 30 10 HDEE CON(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CCS(=O)(=O)CC1 2235426470 BKBWWDUQWXEXCW-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2236960183 QKHCKBJPTDNANA-VNBZBWLYSA-N 402.513 1.680 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247823323 NSHXCAPDFPGDNO-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2247844965 KEKOIKQTLIHTKB-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)CC(C)(C)O 2247855920 ADKPDJGNXOSYAW-UHFFFAOYSA-N 414.315 1.528 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@@H]3CN)cc2Cl)OC1(C)C 2267705700 KPGQVMWNRPYLEW-NXEZZACHSA-N 406.766 1.574 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCNC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282310691 XKQBWNQAGAIUKQ-LBPRGKRZSA-N 400.375 1.775 30 10 HDEE CC[C@@]1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCCNC1 2282334730 FXSGWPUWTVEPAV-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCSCC1(C)C 2282339989 ZVXXLRHCAZQNSX-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CN(C[C@@H]1CCCS1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282342518 IKZYKXVVYNJFTI-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCO[C@H]2CCOC2)OC1(C)C 2282415996 OZPIJWVMEFSTTQ-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CO[C@H]1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282500772 NMNBVLOQFIBXNW-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE CC1(O)CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282507243 DRWUZTWITNUZPQ-UHFFFAOYSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC(O)(CO)CC3)c2Cl)OC1(C)C 2282642902 SZVGKDTZNRNVRS-UHFFFAOYSA-N 401.721 1.660 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](C)[S@@](C)=O 2282829875 LNXJMAKFNJHCNF-SSINHNECSA-N 421.415 1.791 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)C[C@H](C)N)sc1B1OC(C)(C)C(C)(C)O1 2282839129 ZEIHMFHKEOEBJR-JPQMIFPKSA-N 422.403 1.489 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC4(C3)OCCO4)cc2)OC1(C)C 2282862351 BKCIVMWDAHABIE-INIZCTEOSA-N 423.340 1.950 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282867050 SNXPUFMDXQMFIO-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2282870124 NFZXKDZOFBFJRE-IAQYHMDHSA-N 401.721 1.641 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2282881696 BBCIDZWLRPNUCS-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE C[C@@H]1COC[C@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881878 DIQSVGANONZFQK-TZMCWYRMSA-N 401.359 1.844 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@@H](C)C[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284396785 FXOGHJHQHNIBGM-WDEREUQCSA-N 401.315 1.592 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC(=O)O)C(F)F)c2)OC1(C)C 2284410692 DHWAIBKXFRRTIX-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)O)OC1(C)C 2284411800 OOKFBBOXHAYQAD-RYUDHWBXSA-N 401.315 1.187 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CC[C@@H]2N)c1B1OC(C)(C)C(C)(C)O1 2287577716 BEZWYRASERYTMQ-STQMWFEESA-N 400.375 1.680 30 10 HDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1C 2296125555 HFIYSYXYQLMIOY-QGZVFWFLSA-N 415.446 1.994 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2302855975 BQGMLVQVPXUNNA-AWEZNQCLSA-N 411.267 1.891 30 10 HDEE C#C[C@H](C)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2315329051 CDBVRXPGEKPXJK-INIZCTEOSA-N 403.504 1.032 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)C2(O)CC(NC(=O)OCc3ccccc3)C2)CCC1 2319426110 VDORLSPTRGZOFC-UHFFFAOYSA-N 405.472 1.346 30 10 HDEE COc1cc2c(C=NN=c3[nH]c4ccccc4[nH]c3=O)c(C(=O)O)n(C)c2cc1OC 2328794592 YSZQODPAFOLVIA-UHFFFAOYSA-N 421.413 1.998 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCC[C@@H](O)[C@H]3O)c2Cl)OC1(C)C 2359280074 XXXDFUPJHRMIBO-LOWVWBTDSA-N 401.721 1.705 30 10 HDEE CC1(C)OB(c2nscc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c1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20914738 NUKUNZVQULOJHL-REZTVBANSA-N 419.496 1.288 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 59760450 ARGOQOJAPNBWQR-KRWDZBQOSA-N 423.491 1.708 30 10 HDEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 111192611 CFKWVTAALXJAPU-WBVHZDCISA-N 415.471 1.673 30 10 HDEE CC1=NN(C(N)=S)C(=O)C1=NNc1ccc(S(=O)(=O)N2CCCCCC2)cc1 252462386 RXMFMKHTMWSNBI-UHFFFAOYSA-N 422.536 1.481 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NN=C2C(=O)N(C(C)=O)c3ccccc32)cc1 254294142 XQIQIAHBWRXHNW-UHFFFAOYSA-N 400.416 1.221 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 254439540 URKQCMABCFNQNR-KGLIPLIRSA-N 414.480 1.678 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1=O 410112989 LXSQCXZGHKSMNM-QGZVFWFLSA-N 420.466 1.814 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 432181208 ZFFYEIPWNKCODB-UHFFFAOYSA-N 415.581 1.550 30 10 HDEE CCOC(=O)c1cnc(N2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 464760828 KFBJCKKAMMDNOM-IFXJQAMLSA-N 407.540 1.885 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n[nH]1 471056513 PIEGBRVTDGVBTH-AWEZNQCLSA-N 422.489 1.987 30 10 HDEE CC1CCC(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 474210169 SLRVMGBDJFLKKO-UHFFFAOYSA-N 405.520 1.986 30 10 HDEE C=CCc1cccc(C(C)C)c1NC(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 476783764 WWCIPHOZEPAFFU-UHFFFAOYSA-N 404.492 1.883 30 10 HDEE CCc1nc(C)c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 488644112 YBTZEODUEYNBMI-HNNXBMFYSA-N 411.487 1.741 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN(CC#N)CC1 503442871 MMVFRHHYBWANSN-UHFFFAOYSA-N 400.298 1.442 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 508917881 CNWSSZSNLQXGFW-AWEZNQCLSA-N 412.541 1.198 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(CC(F)(F)F)C(=O)C1 511053997 XSHPBSIQAOCHCM-UHFFFAOYSA-N 415.315 1.972 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2)c1=O 514879591 LYMIGYPYWXLJKI-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N2CCCCC2)nc1C 526839197 BXKSAXQVFQSKJR-HHHXNRCGSA-N 413.521 1.494 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)CCS(=O)(=O)c2cccc(C#N)c2)CC1 533146663 KRKBWTWJCXICRH-UHFFFAOYSA-N 421.519 1.065 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@H](NC(N)=O)C2)cc1 536484525 DKAAKFJQXXZVSG-HNNXBMFYSA-N 410.478 1.656 30 10 HDEE N#CC1(c2ccccc2)CCC(N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 537298044 XUJWGRHFSWESSY-OMYXNUHHSA-N 403.548 1.478 30 10 HDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 544865242 JCFLLOFSKPAORD-UHFFFAOYSA-N 424.852 1.553 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 549291201 KPVAOARXZAMBOX-DAYGRLMNSA-N 413.544 1.239 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 555330437 ZNMYGCRUMKHVCY-FUHWJXTLSA-N 415.490 1.225 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@@H]3NS(C)(=O)=O)cc2C1=O 557591327 AKUCCJQWPPHXCN-PBHICJAKSA-N 419.503 1.306 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@H]3NS(C)(=O)=O)cc2C1=O 557591328 AKUCCJQWPPHXCN-RHSMWYFYSA-N 419.503 1.306 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 559242341 OYFUWWJFGHPNPS-SFHVURJKSA-N 420.517 1.443 30 10 HDEE COc1ccccc1C(=O)N1[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@H]2CCCC[C@H]21 561269539 CQQCLEQTKGSONB-NXHRZFHOSA-N 422.489 1.748 30 10 HDEE C=CCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 569856836 KGDFZSGUHSQCBK-MRXNPFEDSA-N 407.536 1.806 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)cc1Br 582463935 GXGJOXXUSBSYDV-NOZJJQNGSA-N 403.254 1.479 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cccn4)nn3)CC2)cc1 585335038 LRZNDAIGHPDAGB-UHFFFAOYSA-N 410.459 1.766 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)c2C#N)C1 586298032 CMQDYSURMOIRCD-KHXSAUHESA-N 406.533 1.804 30 10 HDEE COC(=O)C[C@](C)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(F)c1 588972572 KYNLKKYKPWFBJK-IBGZPJMESA-N 405.451 1.934 30 10 HDEE N#C[C@]1(F)CCN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)C1 589461376 KSRSDBRFRKODJU-ZLVIZOEASA-N 419.456 1.930 30 10 HDEE COc1cc(CNC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)ccc1C#N 589618576 GPPBVKKFUVXYNL-UHFFFAOYSA-N 420.466 1.826 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 598683357 GBRTXHZXEOHEGL-CZUORRHYSA-N 402.520 1.759 30 10 HDEE CC(C)(C)CC(=O)N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 603737928 UURFXWSPVXRNMS-UHFFFAOYSA-N 405.520 1.580 30 10 HDEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c(F)c1 609228896 MMMITDQNVOOYKP-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 609460093 RFTVOCHVFWWWCX-BRWVUGGUSA-N 421.494 1.423 30 10 HDEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ncccc2C#N)CC1 619107064 QQMVKAWODLCXIO-MRXNPFEDSA-N 413.503 1.747 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)c2ccncc2)cc1 674229905 KSEOMZVKVJKASV-HNNXBMFYSA-N 416.503 1.747 30 10 HDEE C#CCN(C(=O)/C=C/c1ccc(I)o1)[C@@H]1CCS(=O)(=O)C1 729331552 QKEMKYUEKNODNT-DUMNWFOQSA-N 419.240 1.546 30 10 HDEE COc1ccc(-c2nc(CON=C(N)c3ccc(S(C)(=O)=O)cc3)no2)cc1 731445475 XWESLRDXCPYWRI-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732071605 XKPGZTPPRMLNFF-UHFFFAOYSA-N 403.442 1.253 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCN1C1CC1 732669183 HXYILACIQFYAKW-ZDUSSCGKSA-N 417.272 1.652 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 741210812 AXDMJMCLKKQYFQ-HZPDHXFCSA-N 409.408 1.582 30 10 HDEE Cn1ccnc1[C@](O)(CCNC(=O)NCCOc1ccc(C#N)cc1)C(F)(F)F 743560518 TUGGPJVAXCVWBC-QGZVFWFLSA-N 411.384 1.810 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OCC)c1 743735345 GDBCMBMVMXWYOX-KRWDZBQOSA-N 402.520 1.718 30 10 HDEE Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)s1 746208135 GSYUXAOIMBBXDE-NLPIWRNCSA-N 421.504 1.208 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 758645110 PFLNHCFXDVKNHM-HUUCEWRRSA-N 423.491 1.819 30 10 HDEE C[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1n1ccnc1 759468429 GLWRBXDQPBCDTH-GDBMZVCRSA-N 401.492 1.421 30 10 HDEE C[C@H](CC(=O)Nc1c[nH]nc1-c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 767768624 NMBDDDUFOSCBNE-GFCCVEGCSA-N 410.459 1.928 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C)c1cc[nH]n1 772343421 OXNZWEHTWNEQGC-VPZZIHKRSA-N 400.435 1.763 30 10 HDEE C#CCN(C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O)[C@@H]1CCS(=O)(=O)C1 774051146 VXTFYPWCCSLNGD-GOSISDBHSA-N 413.499 1.859 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)cn1 784125198 NIGYXZLGKCGMSF-OAHLLOKOSA-N 405.528 1.206 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)n1 788888677 BNPXKGSDSZMKJY-UHFFFAOYSA-N 418.519 1.419 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 795816569 JVFPFUYMIUDSLX-UXHICEINSA-N 412.490 1.257 30 10 HDEE COc1c(F)cc(CC(=O)OCCCC2(C#N)CCOCC2)cc1S(N)(=O)=O 800135315 CVVUHRYNQNMUQW-UHFFFAOYSA-N 414.455 1.668 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2nccn(C)c2=O)CC1)c1ccc(Cl)cc1F 805777850 NGLNKJYTCJVHRN-INIZCTEOSA-N 403.845 1.779 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(Cl)ccc2OC)N(Cc2cnn(C)n2)C1=O 807939333 MFZDVNJCWKRPHC-AWEZNQCLSA-N 422.898 1.745 30 10 HDEE CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 816690525 UUSQUJBJSJSTRH-INIZCTEOSA-N 423.878 1.885 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cn1 1132580873 CYBWYJIAAHTZKO-UHFFFAOYSA-N 410.459 1.701 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(C)(C)C(=O)OC)cc1)c1cc[nH]n1 1137065008 DBOZZPLYLGIYGL-UHFFFAOYSA-N 416.434 1.783 30 10 HDEE CC(C)COC[C@@H](O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1137398144 KYJHJTREYCMSAM-INIZCTEOSA-N 410.312 1.907 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1147468886 CJDITMCRONSYNQ-QBNCKDSPSA-N 418.881 1.578 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2c[nH]c3cccc(Br)c23)c(=O)nc1O 1148392722 GEJPJZQKOJHMPA-UHFFFAOYSA-N 416.235 1.423 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1157884026 CWWMUOZHHWFFTG-WTVLQJKYSA-N 409.508 1.030 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1161578445 GUQZGDPMJWIXOL-LJQANCHMSA-N 406.442 1.961 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)[C@@H]1C 1166615432 VQMIRLJIROKYCR-FMKPAKJESA-N 418.494 1.164 30 10 HDEE COc1ccc(CNC(=O)CCN2CCN(c3nccnc3C#N)C[C@@H]2C)c(OC)c1 1168165637 ZMXZDDBTCTTWDR-INIZCTEOSA-N 424.505 1.582 30 10 HDEE N#CC[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(F)(F)F 1178329818 CNQNOJCKBKZCJA-ZIAGYGMSSA-N 409.368 1.497 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1F 1180160691 HJISXSOOAXTXET-KDDVOAFDSA-N 415.400 1.820 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC#C[C@H]2CCCCO2)C1=O 1180363341 UDQZFKDVXZAOCK-IAGOWNOFSA-N 407.511 1.438 30 10 HDEE C=CC[C@H](CO)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 1207053012 MYGMJNIOJQUEKO-LBPRGKRZSA-N 400.401 1.948 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1 1213324301 HCZDNLOZYGUWDP-AWEZNQCLSA-N 404.895 1.754 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2Cl)C(C)C)CC1 1221951659 UHGWIOLZAFMPHU-QGZVFWFLSA-N 412.943 1.832 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CCOCC1 1231332154 PAIIIBZLPSABHV-KRWDZBQOSA-N 415.519 1.012 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C)C[C@H](C(=O)OC)C1)c1ccc(Br)cc1 1252459149 PGOCLBGGTIGDLO-GOEBONIOSA-N 408.296 1.870 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](O)C1 1254480776 GEDXSBSMFQDMCC-SQNIBIBYSA-N 400.479 1.695 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cn(C)nc2I)c1 1264841276 HIRRBUBTPFWLHP-UHFFFAOYSA-N 422.226 1.399 30 10 HDEE C=CCn1cc(CNC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)nn1 1276646253 PJJFWBHGVKDLIB-UHFFFAOYSA-N 408.388 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1286301676 HFJLEVPEUMEKJY-UGSOOPFHSA-N 405.549 1.596 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1286323802 MRRSSQMJTBNPIN-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1286363420 NVADSMSHYWXBOZ-SFTDATJTSA-N 401.511 1.399 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1286371771 DGWBEPUYGDYWQG-GFCCVEGCSA-N 408.384 1.791 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286386696 GBPJXBZWXOHAMM-HNNXBMFYSA-N 405.524 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1286408213 AKLZSMYVMRJHIL-IBGZPJMESA-N 406.490 1.135 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ncnn1-c1ccccc1 1286410568 CUJQVJFTRQEDOA-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1OC 1286467671 SMNSEOBLANZNTL-BBWFWOEESA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCCC2=O)CC1 1286481976 LMJQBGWPKCAWCY-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1286581021 DGBWHZAYOMAYCD-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1286710120 NFTFFLVCQAMAQH-INIZCTEOSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C)c1 1286788336 UXEJYGDVQASDLD-KRWDZBQOSA-N 417.535 1.427 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1291165530 MEQAXSMTTSRXDK-VAKVLEPSSA-N 414.510 1.933 30 10 HDEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1298087845 CUWHBECIMRTHFA-HXUWFJFHSA-N 403.531 1.222 30 10 HDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(O)C1=O 1298542976 HWRYCEUOVQNPKT-VFNWGFHPSA-N 419.478 1.858 30 10 HDEE CC[C@](COC)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1298978864 QSRSRBRRCYADAL-GOSISDBHSA-N 424.295 1.841 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CSc2ccccc2O1 1299899895 JYBPCDDNXVNLAI-DZGCQCFKSA-N 417.512 1.895 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1300367836 KEBQQLNSKSWOQM-QGZVFWFLSA-N 405.506 1.987 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300408923 DFSJTFAILFKZNR-CHWSQXEVSA-N 406.430 1.361 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC1(OCCOC)CCOCC1 1300547916 UFCXSDZPXSAWOH-GOSISDBHSA-N 402.495 1.415 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@@](=O)CC 1300569066 AUDUSVHAKUVULW-LJAQVGFWSA-N 412.515 1.948 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1300643165 PTUOYUFCBHFWQG-CQSZACIVSA-N 421.498 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1300727007 UBQKJGPDRIGNDC-ROUUACIJSA-N 416.570 1.306 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1NC(=O)C[C@]12CCCC[C@@H]2C 1300780134 GYKJKUJPUGCZAY-NJSLBKSFSA-N 404.492 1.437 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300999760 GHNDFEDRVWIROU-KRWDZBQOSA-N 420.514 1.174 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1301001484 JZSXSZYUUJVRST-INIZCTEOSA-N 413.588 1.934 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1301520893 SKNRPHWCEFVYBG-ICSRJNTNSA-N 424.505 1.812 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C(C)C)C1 1301556244 GLDMGNIPOANPMW-GPMSIDNRSA-N 412.556 1.369 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCO1 1301806641 NTSDWCLICJLJKE-CQSZACIVSA-N 402.455 1.551 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCO 1301964539 BMMZZHWTMXIVQL-HNNXBMFYSA-N 409.494 1.950 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1302465911 HBJQNSDNJGSBMO-QZTJIDSGSA-N 415.519 1.724 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1303635235 CGDZQYFFKHUZAN-INMHGKMJSA-N 411.514 1.370 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 1307909294 PLFBTNKIYZSJFS-ACJLOTCBSA-N 402.476 1.198 30 10 HDEE C#C[C@H](NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1)[C@@H]1CCCO1 1312541642 LLJXWNLOIINWSI-NJAFHUGGSA-N 419.522 1.531 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1312606184 WHNMBEKCFZTVJF-KTMFAHBVSA-N 411.430 1.724 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c1 1312946154 MUUZXMAXZMNGEP-LJQANCHMSA-N 421.505 1.596 30 10 HDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1314630150 HBRJINRJVYZNFY-RTBURBONSA-N 424.505 1.803 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1314991344 GWPYMPXABIFCCT-SFHVURJKSA-N 412.494 1.178 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1316256791 IFVFTYORLNRQRB-INIZCTEOSA-N 412.494 1.537 30 10 HDEE COCCOCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316258161 COHRMEDKDGGJQY-MRXNPFEDSA-N 414.514 1.441 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)(C(=O)OC)C1(C)C 1320516877 UVWAMTLZIJDXLF-LBUQITIBSA-N 413.474 1.774 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1358930632 ZHTFWSZAGOJIMT-BZSNNMDCSA-N 421.567 1.793 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1358954374 GCFZYGPGTYBGAT-HOTGVXAUSA-N 410.540 1.429 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCOC1 1358984037 FYKDXHCXGPKBLY-QHCPKHFHSA-N 421.501 1.762 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)N(C)CC)CC1 1359033218 UIVQRPBHAUQZOS-UHFFFAOYSA-N 417.517 1.727 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(N)=O)nc2)CC1 1359037752 VXUNOTATLMHLQN-UHFFFAOYSA-N 407.522 1.308 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359049433 PLKCALVLSNUHDJ-DNVCBOLYSA-N 407.540 1.085 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359083307 HBVZDEDOQPPSSH-STQMWFEESA-N 411.304 1.642 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359134436 WCNHWAJXLHRVJF-INIZCTEOSA-N 413.588 1.977 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(F)c1 1359298842 NHGYABNGUUABLY-HNNXBMFYSA-N 404.421 1.446 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCn1cc(Br)ccc1=O 1436524843 BWRQLSRHSPKOOW-UHFFFAOYSA-N 419.279 1.949 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnnn3CC3CC3)C2)C1 1448111998 IHUPKWIWKOTCFU-RDYUPDBUSA-N 415.498 1.486 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)cc1 1449565773 HYPKHGREQLVBFR-UHFFFAOYSA-N 410.448 1.393 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@@H](O)[C@H](CO)C2)CC1 1451608115 BHBVMDCQHYOMKK-GOEBONIOSA-N 400.435 1.224 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(C)c(C(N)=O)s2)ccc1F 1452464951 LTVAEZHHNAPCID-UHFFFAOYSA-N 412.468 1.084 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3c(O)cccc3O)CC2)cc1 1456237099 SVORZRHENJJKOH-UHFFFAOYSA-N 415.471 1.687 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1 1458937449 XSUAGWKNFMHHKN-IERDGZPVSA-N 414.462 1.961 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@](C)(O)c2ccc(F)c(Br)c2)CC1 1467453499 WSPBDLKXOOAAQV-SFHVURJKSA-N 411.271 1.784 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](CO)C[C@@H](OCCOC)C3)n[nH]2)c1C 1467652529 QYBBKEIWWYBMFU-IAGOWNOFSA-N 417.510 1.562 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1470352671 JYWFHCHBGSWHHC-HNNXBMFYSA-N 414.319 1.994 30 10 HDEE C=CCOCCCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1470825811 OZAOTOPKRITRAE-INIZCTEOSA-N 412.531 1.642 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1CNS(C)(=O)=O 1470852869 MQXOSFZUQYNLRW-HUUCEWRRSA-N 419.544 1.013 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1470957478 PAFBBIXOGPIAJP-OAHLLOKOSA-N 413.927 1.784 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)C(=O)OCC 1471118327 MNQOQSAXJAWJDO-ZDUSSCGKSA-N 406.826 1.636 30 10 HDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nnnn1C1CC1 1471259150 KHZJXOYOSSPXCO-ZMNLLHDNSA-N 415.498 1.972 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)c(F)cc3O)C[C@H]1CS(=O)(=O)C2 1472191972 OYDJYYLDLXPHBK-RMLUDKJBSA-N 403.229 1.304 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC1 1473671374 DZGSFRRCARLBEB-KRWDZBQOSA-N 410.518 1.816 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CC)CN2CCOCC2)cc1 1475973210 FUAOJMTZUNLDIE-MRXNPFEDSA-N 410.540 1.725 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1C(F)(F)F 1478604185 WQZJOLQVAIRTRN-GHMZBOCLSA-N 417.392 1.247 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1478651464 SATRRRKIDXBEIS-KRWDZBQOSA-N 402.543 1.763 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1478896052 JQRNAECOSRKYJW-OAHLLOKOSA-N 407.492 1.276 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NC(C)C 1505073648 JTBOIMVNDCZBRO-WMZOPIPTSA-N 404.515 1.657 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1505082303 OXJFHPIBJXSFRO-VMOBSNDRSA-N 423.539 1.032 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC2(COC)CC2)CC1 1506349915 CETYLSLHHRJPOO-IYWGDAJJSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1507533556 LLZCMMXYNRYUGS-WDSOQIARSA-N 416.570 1.824 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1507626108 MVVZFYAWSCHMHZ-IRXDYDNUSA-N 402.524 1.296 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507709321 VEUDDJDEFKNQLJ-QZTJIDSGSA-N 400.527 1.859 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)C2CCCCC2)CC1 1507732880 YQAMHJAJRUQCAI-IBGZPJMESA-N 400.571 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCO2)CC1 1507739714 UQOHMRZZVKYVDB-ZWKOTPCHSA-N 401.511 1.317 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)CC 1507762652 XSAXKFIMWPQHRM-WHLCRQNOSA-N 400.508 1.686 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507828924 INEZQWUKKFCBIA-SFHVURJKSA-N 424.553 1.834 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)CC1 1507902721 GGOBXWFPPDHBIL-SFHVURJKSA-N 400.527 1.890 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1508073205 MNCNNHJLVWZQGD-UHFFFAOYSA-N 411.554 1.143 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1508121081 CRVGCZWQXZZEBD-ROUUACIJSA-N 419.526 1.550 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508131205 YVKWNPULWWNMNQ-RCCFBDPRSA-N 419.526 1.406 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1512465128 NKXZFUDYNVCSRV-QJGXAYKQSA-N 418.523 1.250 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)cn1 1521426437 ILBYKIPSLOUIBP-UHFFFAOYSA-N 402.414 1.864 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539257910 XSIUISSJTRLMNU-UHFFFAOYSA-N 422.514 1.645 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1539263222 BJDVQFNSMQRNTA-QGZVFWFLSA-N 413.522 1.990 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1539370260 SWLIPFZGGDWQFT-UHFFFAOYSA-N 424.553 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCc2ccccc21 1539391710 HLBXVLZWMGWYJC-SFHVURJKSA-N 424.549 1.954 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1539495997 AOMXLGRIJCYWAB-ROUUACIJSA-N 418.611 1.579 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540029326 POQHSNXEQLNFRZ-LJQANCHMSA-N 421.505 1.965 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1540858482 YGTUBKLAFISLAW-QWHCGFSZSA-N 410.500 1.483 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C[C@H]1C 1543520995 MWICTBULNWGYQK-FSPWUOQZSA-N 411.462 1.342 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)nn1 1546130113 FULKIZPASWVAHN-OAQYLSRUSA-N 422.533 1.803 30 10 HDEE CCOCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1548243776 KQIKVIAEHSAUTO-UHFFFAOYSA-N 419.493 1.755 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1554528337 NLJXRLDKEFHCJG-KKSFZXQISA-N 408.462 1.294 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1555995572 AZMIYDUERYCDBK-INIZCTEOSA-N 402.499 1.194 30 10 HDEE Cc1nnc(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)o1 1557414556 KSNVVXPLOBEUOW-UHFFFAOYSA-N 405.480 1.636 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1557895766 NPMGMAHYKKIEIJ-CQSZACIVSA-N 402.455 1.363 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CCOCC1 1559487815 ORHUKPWXVZUIOJ-IBGZPJMESA-N 410.518 1.926 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CC[C@H](c3cccc(Br)c3)C2)CCO1 1561580985 BILCHVHRSUHHSV-ZFWWWQNUSA-N 400.298 1.708 30 10 HDEE C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1561776499 ZMENTOGTFGISNI-RBSFLKMASA-N 402.538 1.178 30 10 HDEE CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1566317830 KPBUSIJSDNOQEA-GOSISDBHSA-N 412.490 1.933 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](N4CCC4)[C@@H](F)C3)C2=O)cc1 1568543226 DWBMRMKKZFNUMQ-KSZLIROESA-N 413.453 1.408 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 1585780335 BBQHFPMCVYBHSW-STQMWFEESA-N 405.417 1.915 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 1586184898 MQYJAYXHTSUSRS-CJNGLKHVSA-N 406.508 1.951 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1587857138 WEVIXHTXAMGPTO-SFHVURJKSA-N 400.527 1.334 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2cccc(F)c2C)[C@H]2CCO[C@H]2C)C1=O 1587983583 VSWPDDWJSRHGIR-BBRMVZONSA-N 403.410 1.621 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1NC(=O)CC1(C)C 1588167027 VEUDCAQBKKNFPF-SFHVURJKSA-N 409.465 1.984 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C)N1CCCCC1 1588637295 CMUGOEDFDLHYQO-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccnc2OCCOC)CC1 1588836594 MBIRCTMCXSLOLD-UHFFFAOYSA-N 412.538 1.700 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1588885730 YOQSLOJWWYYKCD-UHFFFAOYSA-N 414.554 1.626 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1594733876 ZHXBVNXKSLCBBQ-VQIMIIECSA-N 422.555 1.707 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)COCCO1 1602821817 FWAMEDCOLYOYLW-OAQYLSRUSA-N 411.510 1.800 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CCCC1 1611531186 AIPUNGUIHQEKLC-UHFFFAOYSA-N 414.506 1.944 30 10 HDEE CCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1614492644 XWUWVKFFMQHCTN-KIJUOZEOSA-N 402.499 1.935 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1615892994 LZBNXYGMFYCYNQ-HXUWFJFHSA-N 415.586 1.940 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1617657794 RLJOOOKNEOGPMU-KRWDZBQOSA-N 413.861 1.642 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS1 1618308856 GKGUNYXRLAYEBG-MRXNPFEDSA-N 420.564 1.698 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1619399340 AJKUWMIEHMMLGA-ROUUACIJSA-N 424.505 1.941 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@H](C)O1 1619733331 CUGUKQPUZPRMME-LPHOPBHVSA-N 422.493 1.739 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)CC1 1619905289 RISASOIHOCEQEW-FQEVSTJZSA-N 400.523 1.629 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@H]2CCOC2)C1 1620347041 MIXXILGMVOCARS-DNVCBOLYSA-N 401.446 1.620 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 1620484338 TZOPZUJDLZCZFF-YWZLYKJASA-N 413.503 1.613 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 1625187986 FBYWACWYSDXEJY-QGZVFWFLSA-N 404.536 1.894 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1626393818 VFZCOGYRBYORLJ-LSDHHAIUSA-N 423.510 1.209 30 10 HDEE C/C(=C/C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)CN1CCOCC1 1629710115 QPXLUYLIWVEUCD-VKAVYKQESA-N 408.506 1.653 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc3ccccc3n2Cc2ccncc2)c(=O)nc1O 1630030855 YWSACIQNFGLTMW-UHFFFAOYSA-N 414.425 1.649 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3cnnc3)CC2)s1 1632184675 ONJIFUKGFFHNRQ-UHFFFAOYSA-N 409.537 1.285 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCO2)c1 1633293867 BMNAYMLXYXGWJL-RBUKOAKNSA-N 404.426 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C2(CCC2)CC1 1633338566 KGQQOGJYHWSMKC-UHFFFAOYSA-N 417.466 1.213 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(C(F)(F)F)cnn1C 1633925585 NAOLMQIYEXPHJX-JTQLQIEISA-N 415.397 1.294 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1634534964 OVYKXJLVANMWCZ-PIGZYNQJSA-N 400.863 1.223 30 10 HDEE C=CC(C)(C)CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1635334676 RSRVUYYGSQVODI-AWEZNQCLSA-N 403.545 1.922 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2ccc(COC)o2)c1 1635351798 DKYWEEXDXHAWKR-GOSISDBHSA-N 418.471 1.551 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CCCN1C(=O)OC(C)(C)C 1635430001 WINDNJXHMLTORX-GQIGUUNPSA-N 410.536 1.958 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)n2C)CC1 1636475481 KIIPESXUOCLXEL-UHFFFAOYSA-N 404.467 1.057 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)c1 1639132958 IXPCOQIQJCVIEN-UHFFFAOYSA-N 417.453 1.697 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1 1639986334 XRURYQNIOBNAHQ-IBGZPJMESA-N 410.492 1.382 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)c1 1640096518 HTCXAHSRQRLUSF-OKILXGFUSA-N 417.453 1.695 30 10 HDEE COc1ccccc1[C@@H](C)N(OC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1640101006 AIOASUXOUGXONE-CYBMUJFWSA-N 403.460 1.885 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(OC)OC)CC1 1640225678 VJNMDOQSRNGUHR-CYBMUJFWSA-N 419.906 1.312 30 10 HDEE C=C[C@H](C)ONC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1640635466 RTYLUYAVEJYNKS-ZDUSSCGKSA-N 409.464 1.391 30 10 HDEE C[C@H](C#N)N(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CC1 1640987412 XEYNGZLTDVPJFC-LUYZLQTOSA-N 411.524 1.560 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1641583282 STIBXNFCFUWKKX-ZDUSSCGKSA-N 401.448 1.238 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1641806492 FOIFSRYCMFWUMO-GFCCVEGCSA-N 402.348 1.592 30 10 HDEE C#CCNC(=O)CN1CCN(c2nc(C(F)(F)F)c(Br)s2)CC1 1642750238 XKINHAKOYLMVCL-UHFFFAOYSA-N 411.247 1.796 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)CCC1 1644653875 QGTYUBDEGHALAJ-MGPUTAFESA-N 403.504 1.895 30 10 HDEE Cn1cnc2c3c(ccc21)N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCC3 1648852747 JUKCLHKKAXTEKS-UHFFFAOYSA-N 409.471 1.703 30 10 HDEE COC(=O)c1ccc(NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(C#N)n1 1650909266 SPBNMAYMCDIJPH-IRXDYDNUSA-N 405.458 1.751 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cccc4nc(O)[nH]c34)CC2)c1 1655667678 YFDLYQMRMGZIEO-UHFFFAOYSA-N 418.457 1.720 30 10 HDEE N#C[C@]12CN(C[C@H](O)COc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1655770378 CIRFMJJECZUKFG-OFQRWUPVSA-N 404.410 1.315 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1667315146 FJQUVJUBLFUJHA-BFYDXBDKSA-N 409.508 1.644 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1669388545 QPCAVHHCLWFMSL-ZDUSSCGKSA-N 408.886 1.708 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1)C1CCN(C)CC1 1672658651 WODNUKOHGDXMPE-GOSISDBHSA-N 408.543 1.751 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1 1673201817 CUCMWFCBNMZURF-UHFFFAOYSA-N 408.449 1.711 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 1681285727 RDXHIEYRNYDZNL-SJORKVTESA-N 402.455 1.555 30 10 HDEE C#Cc1cccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1683156604 MTXJQCXFRGXBBW-UHFFFAOYSA-N 416.459 1.696 30 10 HDEE Cc1cc(Br)cc(C)c1N1CCC[C@@H](NC(=O)NCC#CCO)C1=O 1684766492 VETBGJLNLBMZFU-OAHLLOKOSA-N 408.296 1.856 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c1 1684827657 YKYAFPJMPLVGQD-HXUWFJFHSA-N 400.435 1.332 30 10 HDEE N#Cc1csc(CNC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)n1 1685441255 GPYPEFVYOXSWJL-MLPAPPSSSA-N 414.472 1.945 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1686055496 KURRUDNSYLMBDZ-KFWWJZLASA-N 408.503 1.143 30 10 HDEE CCON(CC)C(=O)CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1687065341 ZWYIFTORUGOONJ-UHFFFAOYSA-N 416.438 1.438 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941274 LJKDEWZOWGRORM-OXJNMPFZSA-N 403.483 1.373 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)n2)CC1 1690115434 GGPGAOUUSZSZBJ-UHFFFAOYSA-N 415.505 1.333 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)CN2CCOCC2)CC1 1690119929 YNWFJDWCDSCRRA-FQEVSTJZSA-N 408.550 1.669 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCN(CC)CC2)CC1 1690120293 PCFPODRTWJVCIS-UHFFFAOYSA-N 410.570 1.056 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1690180339 DEPBONSONUFEIX-UHFFFAOYSA-N 406.556 1.118 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCCCCO 1690231562 GSGUQVZISBJTQQ-UHFFFAOYSA-N 400.321 1.908 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690486787 UEPOXWUDTDZYPY-KRWDZBQOSA-N 418.567 1.996 30 10 HDEE C=CCn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1690653550 WRTQYSDBHGCMHY-UTKZUKDTSA-N 403.527 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690664496 VOPNWSNPYJSKNT-MRXNPFEDSA-N 411.466 1.251 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1690734037 UHVOBWRICQCWOZ-AWEZNQCLSA-N 416.507 1.844 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1692889359 PQWZPTNQOKSAES-JKSUJKDBSA-N 414.466 1.580 30 10 HDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1=O 1695863919 CAXSIJNJTMEDLG-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE C=CCOCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1C(F)(F)F 1703049644 KMZGEIAGHWDSLM-HKXJQTKSSA-N 416.440 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1705499961 CRXLOBYMKWCJDA-CQSZACIVSA-N 422.514 1.875 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC[C@@H](C(F)F)N1CCOCC1 1705579186 HPBLNPMVLLXFHT-KRWDZBQOSA-N 402.449 1.702 30 10 HDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1705616610 CYFQHVKXOKOTHV-UHFFFAOYSA-N 423.565 1.191 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCN(C)C2)CC1 1705635244 UXRVBBFJCHTERB-QPPBQGQZSA-N 422.577 1.642 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1705907667 SZUNIJIGTNUNPE-GOSISDBHSA-N 424.505 1.750 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)C1 1705914908 GGXCWCXYGPLIKP-HOCLYGCPSA-N 409.556 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705934237 GDRGIEGIHPURTR-CABCVRRESA-N 409.512 1.081 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1706072581 FMQYAOULZYTCAW-GDBMZVCRSA-N 405.466 1.454 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1706753654 HZUJHCYVELHGAL-CQSZACIVSA-N 407.482 1.278 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)CC1 1706937302 IKHRVZUQCUPSNO-MRXNPFEDSA-N 422.555 1.338 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1712887415 GHEPUEQCLCMHMR-HOTGVXAUSA-N 415.498 1.290 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1722276222 HUQQRBRGLXOQRA-ULQDDVLXSA-N 410.588 1.611 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722338455 ICIVUFKVCDYXNA-CSODHUTKSA-N 401.511 1.587 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS1 1722419355 YHSSNVFEGBIXOL-HNNXBMFYSA-N 400.508 1.907 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(OC)CCOC1 1722466405 UDCSFRDTKSILGO-RTWAWAEBSA-N 410.478 1.723 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722685823 OMDKXJVSRPDUJT-UONOGXRCSA-N 422.511 1.451 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2ccco2)C1 1722700752 SPFRSCPURXLFKM-GOSISDBHSA-N 408.462 1.737 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@@H]1CCCCO1 1722862924 FUXRXCLHYGGLIY-OAGGEKHMSA-N 412.560 1.833 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(NC(C)=O)nc1 1727568831 KVEVGDAYSVYVQT-UHFFFAOYSA-N 418.461 1.777 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccco1 1740290226 DVUPZFVHBKXFSM-CUGJGTHOSA-N 401.463 1.239 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740592814 IXJGKKWACBJBSJ-SJLPKXTDSA-N 400.454 1.782 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc(C)s1 1740633112 VOVRQGMBPDMXCT-LJQANCHMSA-N 400.508 1.406 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC=C 1740640528 PHMTXISVQJOCIL-IBGZPJMESA-N 424.526 1.866 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOCC)CC2)CC1 1740694751 SHLTYJXKKNGVQB-QGZVFWFLSA-N 400.527 1.191 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CC1 1740695860 GBPUETVNAHEUPL-FQEVSTJZSA-N 422.533 1.244 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1740774315 QLCIJBPFTMZSTD-CABCVRRESA-N 417.601 1.765 30 10 HDEE C=CC1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740838745 XATNSNJOKZSAJD-UHFFFAOYSA-N 411.597 1.937 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748788521 QPZTWZMIACEPQE-LJQANCHMSA-N 422.533 1.590 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1748840745 ISYKIRPMPRNDIJ-QGZVFWFLSA-N 417.464 1.107 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C 1748888163 PFMOCEJVDMCJRD-UHFFFAOYSA-N 403.446 1.145 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1748889263 HGPQKFQYJKCOGB-UHFFFAOYSA-N 421.501 1.699 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2)CC1 1748990395 HOWVNIFHSMZYCI-HKUYNNGSSA-N 408.506 1.452 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)NS(C)(=O)=O 1749140541 QMWFURISRQVILB-IPYPFGDCSA-N 409.516 1.347 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1749420708 KZYLHAPMNNTDLF-UHFFFAOYSA-N 407.496 1.625 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cc[nH]n1 1749466539 SZICRKNCUJZAQX-LJQANCHMSA-N 403.487 1.094 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1749599432 FFYQZJAYWRJICS-OAHLLOKOSA-N 421.523 1.271 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)CC1 1750386789 NMRHSCJGMGSWTM-UHFFFAOYSA-N 400.508 1.529 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCCNS(C)(=O)=O 1751678711 HBKLUUONABODIL-MRXNPFEDSA-N 404.540 1.855 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185444 XDUBOXBKBNJHPK-AEFFLSMTSA-N 417.535 1.335 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)c1ccccc1 1760217275 WSEKHPZBGUGMSL-UHFFFAOYSA-N 420.498 1.672 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(N(C)C)CCOCC1 1760248424 LHTFIMWPODACHN-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C=C(Br)Cn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1760313835 FHMFOAPFGDTXBZ-LBPRGKRZSA-N 420.377 1.954 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760357907 PCIPUNVRDQLDJJ-IBGZPJMESA-N 423.521 1.968 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1760456152 IDQZQJHNAWWXKW-UONOGXRCSA-N 407.496 1.351 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2CCC[C@H]21 1760522546 WEODYWXBGGNDKX-ARFHVFGLSA-N 407.540 1.251 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1760564837 IVFBBZATZZERBI-INIZCTEOSA-N 422.599 1.695 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOC[C@@H]1C 1764187157 FQJQKGMJIYJVHG-YQQAZPJKSA-N 404.515 1.598 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1768250924 CWQGCNQVRSJNPL-RHSMWYFYSA-N 419.507 1.821 30 10 HDEE CN(C)C(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1768451560 XMTLSUAEVPGNKD-CYBMUJFWSA-N 404.421 1.354 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1770365572 FQQZFGNXZSVAAY-QTEAWJPNSA-N 422.514 1.996 30 10 HDEE COC[C@H](F)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770796295 WJZRYXIZPXNSHV-HZPDHXFCSA-N 416.505 1.838 30 10 HDEE CON(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1771315227 UKFATDQVFWRNFR-CZIZESTLSA-N 421.461 1.961 30 10 HDEE C[C@H]1Cc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2N1S(C)(=O)=O 1772788626 CAFDATIGGVOVIT-NSHDSACASA-N 400.412 1.765 30 10 HDEE O=C(NCC#CCN1CCCCC1)C1CCN(S(=O)(=O)c2ccccc2)CC1 1850124150 NBLIQMJLMYESTO-UHFFFAOYSA-N 403.548 1.693 30 10 HDEE C=CCC[C@@H](C)C(=O)Nc1c(C(=O)OCC)cnc2nc(N3CCOCC3)nn12 1851165610 ZWKJQXJJNCHEFX-CYBMUJFWSA-N 402.455 1.678 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)CC2=O)cn1 1851850856 HDTCAKUBVZHQPY-KRWDZBQOSA-N 401.430 1.668 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)c1 1853661468 XNBZNDHDXVRSEU-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccncc4)CC3)C2=O)cc1 1853970915 XJNQFBFTMAOTIU-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCOC4)C3=O)CC2)n1 1854440240 WGORMOYKRPFRJW-IEBWSBKVSA-N 412.490 1.598 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854643013 CZQVCPYLNKDWFR-CQSZACIVSA-N 415.446 1.688 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCCN(C(=O)Cn4cccn4)C3=O)CC2)cc1 1855156897 AWMAAOBQGPWIPG-FQEVSTJZSA-N 407.474 1.816 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855599610 CGKPGPMOVJFJDN-PKOBYXMFSA-N 416.522 1.157 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCN(Cc4ccncc4)CC3)C2=O)cc1 1855641780 VISDEKIDRZIVMK-NRFANRHFSA-N 403.486 1.441 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1855893173 ZJXOKPLMRPYKAJ-GOSISDBHSA-N 403.504 1.997 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1856266107 FZCMQAFKTLTADA-SJORKVTESA-N 409.552 1.240 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@@H]3OCCc4ccccc43)C(=O)C2)cc1 1856350538 WFPWPKIHPKQGEG-JOCHJYFZSA-N 405.454 1.922 30 10 HDEE N#CCCN1CCN(C(=O)CCn2cnc3ccccc3c2=O)C(=O)C12CCCC2 1856639524 QBJPKNRVYYCHKO-UHFFFAOYSA-N 407.474 1.684 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](c4ccc5c(c4)OCO5)C3)C2=O)ccn1 1857109028 HCTOOPRTBMIQMF-SJLPKXTDSA-N 404.426 1.913 30 10 HDEE COc1ccccc1/C=C/C(=O)C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1 1860725281 DQOFFPBXBJVYFH-KPKJPENVSA-N 402.428 1.741 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCOCCO 1870482021 JQAWGFLUCDLFPE-UHFFFAOYSA-N 408.495 1.362 30 10 HDEE C=CCN=c1nc(Nc2ccc(OC(C)C)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871721906 JIBZSSUAOUBUEV-UHFFFAOYSA-N 413.526 1.537 30 10 HDEE Cc1nc(N(C)C)sc1/C=N/n1cnnc1SCC(=O)NCc1ccco1 1873505062 ZIMMNPOZMQHSQC-UFWORHAWSA-N 405.509 1.993 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889391086 WUPKZGZPFMUKGI-HOTGVXAUSA-N 411.487 1.789 30 10 HDEE CC(C)(C)OC(=O)NCCC(CCNC(=O)OC(C)(C)C)NS(=O)(=O)CC#N 1905144275 VWBSJVZMHZOKNE-UHFFFAOYSA-N 420.532 1.628 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCCn1cc(I)cn1 1963528645 BSVJABKIIWXJLR-UHFFFAOYSA-N 402.217 1.338 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 1985104926 MVYAQWFRBLCOGP-UHFFFAOYSA-N 409.336 1.936 30 10 HDEE C=CC1(NS(=O)(=O)c2c(Br)cnn2C)CN(C(=O)OC(C)(C)C)C1 2019458405 VBCGFZFKIAVAPV-UHFFFAOYSA-N 421.317 1.636 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)CCCNS(=O)(=O)CC1(C#N)CCC1 2174779212 GUAYYMAQURNPPA-UHFFFAOYSA-N 402.561 1.836 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@@H]1CO 2178918125 CSHVPAQRRHQLLC-CABCVRRESA-N 401.529 1.608 30 10 HDEE Cc1cnc(N[C@@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212742011 FQKIEDLTCAZKFP-CQSZACIVSA-N 407.320 1.987 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243428147 HEMLAZZBHPSNGA-UHFFFAOYSA-N 408.304 1.499 30 10 HDEE Cn1ncc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247778400 BGHLNRDPVYABSY-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE CC1(C)OB(c2ccccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2247810971 CRIPVXNHVYJAMW-UHFFFAOYSA-N 412.217 1.736 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247837956 AIZMIGWRVPGNPV-UONOGXRCSA-N 422.287 1.601 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2247916132 QNNJISKSYRKCCC-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CN(CCN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247922954 QCMZNSPXEPAYGQ-UHFFFAOYSA-N 423.323 1.053 30 10 HDEE C[C@@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247928160 XYDIIXPNCNVONA-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1cc(C#N)ccn1)NC(=O)OCc1ccccc1 2270500222 KHBRJOYWMNIXFB-HNNXBMFYSA-N 418.431 1.163 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H]1CCS(=O)(=O)C1 2281960055 UBQKNIRWEAWIJS-NSHDSACASA-N 400.331 1.010 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC(C)(C)[C@H]1O 2282300511 HFOMQQMOFXTHLF-FZMZJTMJSA-N 401.359 1.793 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)[C@H]2C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282318572 HSLLEVPTSDGXGT-YPMHNXCESA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@H]1CCNC1 2282325967 MAAUQULZKSIUBV-YPMHNXCESA-N 400.375 1.632 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@H]1CCSC1 2282329149 ILIQLNXHMFYEOJ-RYUDHWBXSA-N 401.363 1.139 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282352534 PJJIGEAPMZCHTN-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282352575 ASHNSJGDXPJKFF-VXGBXAGGSA-N 403.331 1.130 30 10 HDEE C[C@@H]1NCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282416239 SNCBAYCHAGDGGK-XHDPSFHLSA-N 400.737 1.668 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](O)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282420433 YZPDUWJASPGCLN-ZWNOBZJWSA-N 401.359 1.665 30 10 HDEE CN1CC(NS(=O)(=O)c2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282490160 GSOBGZHCEYANAY-UHFFFAOYSA-N 421.155 1.885 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCC[C@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282494655 AQGKYGWJZKQMKK-KGLIPLIRSA-N 407.363 1.449 30 10 HDEE COC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494704 BDUFWRINVGTTEK-IAQYHMDHSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@](C)(O)C2)OC1(C)C 2282500118 IBZHTUXJRICFMZ-QGZVFWFLSA-N 401.721 1.785 30 10 HDEE C[C@@H](O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282824385 BFRIXBNNHJQBNK-LLVKDONJSA-N 401.721 1.641 30 10 HDEE C[C@@H](CCCO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832795 CPCCIXGGVACATI-LBPRGKRZSA-N 404.363 1.270 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]2(Cl)CC2(C)C)n1 2282832901 CVZAKPMFNMCIQP-MRXNPFEDSA-N 403.741 1.405 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCC[C@H]2N)OC1(C)C 2282837252 COCZRXIWZPJYJX-ZIAGYGMSSA-N 400.375 1.737 30 10 HDEE CC1(C)COC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282844349 CANRWOIOYNEFSA-GFCCVEGCSA-N 402.347 1.287 30 10 HDEE CC(C)[C@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848093 IZAXUYRVRDNVQC-DOMZBBRYSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)OC1(C)C 2282854586 UCCYKGOGVQUIGW-DIADJTQKSA-N 421.286 1.062 30 10 HDEE CN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](CC#N)C(F)(F)F 2335505936 MDGNWKXLMYSVKK-VHSXEESVSA-N 401.407 1.227 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)c2ncc[nH]2)OC1(C)C 2343894043 PZIYFJKZOURDSG-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363698431 AUSPZUHEZHHKKV-CABCVRRESA-N 413.565 1.815 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2367809947 RZTOCLMOFQTVMH-ARFHVFGLSA-N 400.541 1.306 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815510 LYFZJKKSIVDOHH-YZVOILCLSA-N 400.541 1.306 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC)c1 6433919 JGIVAUCWXKTZIE-UHFFFAOYSA-N 404.444 1.955 30 10 HDEE C#CCOC[C@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36157104 DPBPHJFWNDDLIL-OAHLLOKOSA-N 419.547 1.713 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(OCC(=O)NC)c3)cc2C1=O 55782008 XTHMFCIGESNUIP-UHFFFAOYSA-N 407.426 1.523 30 10 HDEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCCS(C)(=O)=O)cc1 71530053 XYPQYVVETAVKQP-UHFFFAOYSA-N 419.525 1.442 30 10 HDEE COc1ncccc1CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 461468911 RWPMOGHGVNHCRU-KRWDZBQOSA-N 407.430 1.526 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 466240536 DHBSBUDMIGBDEY-IBGZPJMESA-N 422.489 1.959 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COc2ccccc2O1 474590813 AKHXVHBWTMYTFV-ZFWWWQNUSA-N 401.444 1.181 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 481796509 OKDBXLDXTQQYRQ-JTQLQIEISA-N 419.513 1.866 30 10 HDEE N#Cc1ccnc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 483286421 WSLLMPCAPSQMGL-INIZCTEOSA-N 400.460 1.341 30 10 HDEE Cc1c(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1N(C)C 488604627 GFMUNGSVEQGGEA-LJQANCHMSA-N 419.485 1.789 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 490233520 BUCFVORAHLPWGR-OAHLLOKOSA-N 423.920 1.687 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 506046942 FEPYTUBOKUXXPB-UHFFFAOYSA-N 408.499 1.284 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 516515944 AAJBEBQIELJRTL-UHFFFAOYSA-N 423.454 1.080 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 516817814 MIPYLJFSMHXZPJ-UHFFFAOYSA-N 402.524 1.454 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc5c(c4)OCO5)n3C)CC2)c1C#N 548953644 XXEBCIXUCBIDBV-UHFFFAOYSA-N 406.450 1.451 30 10 HDEE CN(C)c1nc(O)cc(CN(C)[C@H]2CCN(C(=O)NCCc3cccc(C#N)c3)C2)n1 557690271 CCUFBBCUWKRGNR-IBGZPJMESA-N 423.521 1.578 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(c2snc(C)c2C#N)CC1 576910542 AJMISTWLRWACNS-UHFFFAOYSA-N 403.468 1.588 30 10 HDEE N#CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 588128855 OVZYDOVNYUJRAQ-QGZVFWFLSA-N 421.505 1.282 30 10 HDEE N#Cc1cncc(S(=O)(=O)Nc2ccc(I)cc2N)c1 692139462 OIGUTBMLSLWXDS-UHFFFAOYSA-N 400.201 1.941 30 10 HDEE C[C@H]1Oc2ccc(C(=O)CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)cc2NC1=O 727977230 UWVPFMZFKOFBCJ-VERVWZFWSA-N 418.409 1.928 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 729853817 LNAIIWZDWVQOFD-JTQLQIEISA-N 412.316 1.813 30 10 HDEE C#CCN(CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 731213699 OJGILJFAXWVIQX-OAQYLSRUSA-N 417.575 1.152 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 732465740 HWTOLGLBMWGVDE-LFVOPCPISA-N 416.453 1.807 30 10 HDEE C=C(COC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OCC 747044333 KESLGQXBXJZCOS-UHFFFAOYSA-N 406.254 1.681 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c1 760995049 XLBILZFIPIGKFW-OAHLLOKOSA-N 409.471 1.670 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2ccn(C)n2)C1=O 765545376 WAJBHTADXGZWCJ-INIZCTEOSA-N 414.491 1.646 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cn3ccc(Br)n3)CC2)cc1 767964625 QTIIXNLOFPGEQM-UHFFFAOYSA-N 410.297 1.481 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)C1CCN(S(C)(=O)=O)CC1 769721758 FOXRTTKXLSHGIC-UHFFFAOYSA-N 417.281 1.906 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NCCC)cc1)[C@H]1CCS(=O)(=O)C1 774053231 OQMJOFADFOFORX-HNNXBMFYSA-N 413.521 1.029 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774193836 ABYYRPBMRDIYQZ-CRAIPNDOSA-N 409.939 1.998 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)CC1 775137009 PCNMWLPYVNBQDK-UHFFFAOYSA-N 413.474 1.568 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C[C@H]1CCCO1 777941308 PELJYQLAZWLLSD-CQSZACIVSA-N 400.391 1.163 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Cl)c1 782109035 AXLPFZAJLRHLOE-WUKNDPDISA-N 420.853 1.708 30 10 HDEE C#CCN(C(=O)c1ccc(OC)cc1OCCOC(C)C)[C@H]1CCS(=O)(=O)C1 789643919 LVICTFQKHJTYGM-INIZCTEOSA-N 409.504 1.762 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 790687683 VTBPXINVOHQHPP-JTSKRJEESA-N 411.458 1.786 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)n1 856585851 AHXLHKVSVKNFIH-KRWDZBQOSA-N 410.883 1.915 30 10 HDEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C\c2cnn(-c3ccccc3)n2)cc1 916545284 FXKPPRTYKOKVAN-FLIBITNWSA-N 412.427 1.526 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)CN3CCCCS3(=O)=O)ccc21 1128147603 ZWDDCYWMCBZTSZ-UHFFFAOYSA-N 404.492 1.634 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1128568539 HRBHMDDMIQVXNF-CEXWTWQISA-N 405.520 1.561 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1136085790 AIDCSUBPCDMGIG-UHFFFAOYSA-N 417.466 1.054 30 10 HDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C#N)CO)c1 1140739530 LVOPHYFIQWKZGH-JSGCOSHPSA-N 403.435 1.580 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 1142593003 FIJMXTFGGUYIDB-HUUCEWRRSA-N 411.499 1.516 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 1143975986 RPMLUZRNVVDPSS-YYIAUSFCSA-N 405.520 1.968 30 10 HDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1151861814 SVFHUELGZHNCHE-HNNXBMFYSA-N 405.296 1.699 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1157529605 BJOYUTOUBSSQEE-PMACEKPBSA-N 417.473 1.746 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)c1 1161426770 UQQNXLQEZNPCKE-UHFFFAOYSA-N 400.395 1.170 30 10 HDEE O=C(Cn1ncc(=O)c2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1161797828 QKYGWCLZYRZFAD-UHFFFAOYSA-N 406.398 1.301 30 10 HDEE C#CCN(CC(=O)NCC1(O)CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1161976827 USYLHWBPRIKCFQ-UHFFFAOYSA-N 415.534 2.000 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 1164661516 XHPDFXPQWJYOLO-HIFRSBDPSA-N 402.513 1.116 30 10 HDEE O=C1C=COC2(CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCCO4)CC2)C1 1176609907 HVHLOEBHIVTTCI-UHFFFAOYSA-N 415.446 1.834 30 10 HDEE Cc1ccc([C@](O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(F)(F)F)o1 1179652706 SAVQPEUHNJPLGP-NILFDRSVSA-N 406.382 1.125 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)ncc3Cl)C2)c(=O)nc1O 1183997261 KZCMQJNARXQCSA-UHFFFAOYSA-N 410.615 1.329 30 10 HDEE C#CCN1CCC(NS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 1195042809 NTWPWFPUAVVYRN-HXUWFJFHSA-N 419.547 1.805 30 10 HDEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 1197070124 SFEYFZYXABNVRO-NSHDSACASA-N 412.368 1.768 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)C(=O)OC 1212123568 QEXBZFLHKDJUEU-FGTMMUONSA-N 422.503 1.566 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(Cc3ncc(C(=O)OC)s3)CC2)nn1 1252077495 VUTCZVBJFRQILL-UHFFFAOYSA-N 404.496 1.872 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](C)C(=O)OC(C)(C)C)c1 1264809726 SJCQGGIDWAKNJQ-INIZCTEOSA-N 400.475 1.838 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C(C)=O)CC1 1286349859 PVYOJAMKVNCFKH-UHFFFAOYSA-N 422.537 1.534 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1286376365 KHPMBTBEMARTNG-LSDHHAIUSA-N 406.483 1.856 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(SCC)c1)[C@@H]1CCS(=O)(=O)C1 1286382594 JMCARMOJPQQFOB-MRXNPFEDSA-N 405.549 1.769 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1ccnn1 1286404664 VKSZVDGBNMQJJU-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCCCCC1=O 1286439705 WRTZPPBTUASNJW-UHFFFAOYSA-N 405.506 1.991 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1286451981 QIVZBLYGTBSNKD-GOEBONIOSA-N 424.596 1.712 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)C1CC1 1286462776 VRVASEVMMLAGJB-QFIPXVFZSA-N 422.489 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC(C)C)CC1 1286485657 SXNUTXCBYREUDC-OALUTQOASA-N 405.543 1.572 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1286621789 NJULRLIZINSKCU-UHFFFAOYSA-N 422.917 1.484 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1286807635 QLVOIUQFRITNEA-HXUWFJFHSA-N 424.549 1.971 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2ccccc2OCc2ccccc2)C1=O 1287560962 YKXPNOKNXRZYGJ-UHFFFAOYSA-N 421.453 1.901 30 10 HDEE Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289437587 ZPSQJRHFQPUINB-MQIPJXDCSA-N 417.409 1.730 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1293860956 PKRPTNOFPLCJHV-CQSZACIVSA-N 411.510 1.928 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OCC)CCOC1 1296250609 BWSFACPYAQQFCS-MGPUTAFESA-N 406.531 1.688 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1296938744 JIIOSPBWRUUWDC-FQEVSTJZSA-N 405.499 1.672 30 10 HDEE CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC12CCCCC2 1298170613 RTANAJNUXNONBG-UHFFFAOYSA-N 418.563 1.982 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 1298366318 IBUXWHYZFPPNEZ-IDCXYZFESA-N 424.526 1.472 30 10 HDEE Cc1nc([C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c2cnn(C)c2)no1 1298587756 BOPQZXFZABHUKP-KDOFPFPSSA-N 405.418 1.242 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1299960859 IWDACTAJSDRISD-ZWKOTPCHSA-N 408.520 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC 1300276688 PJQLXTBDHQYVAQ-LBPRGKRZSA-N 413.450 1.554 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1300410525 ODSRIYPKZCEXBV-MSOLQXFVSA-N 407.584 1.762 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300502830 YKCQBCAFCHTRHJ-DLBZAZTESA-N 422.576 1.982 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300756358 KIXFOFCQTRASLO-HNNXBMFYSA-N 408.535 1.899 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1300768640 VHVRUYVOZMELDO-IAGOWNOFSA-N 404.584 1.686 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300885026 NPXRWVGKBUBGBG-NCOADZHNSA-N 410.540 1.387 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301259867 QEGVZDCCBQOTFB-MJGOQNOKSA-N 410.522 1.819 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1301491341 QBCYSAYQORSHHI-HZPDHXFCSA-N 401.515 1.621 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301491576 LLEZZFIGQSSTNQ-SFHVURJKSA-N 410.522 1.406 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1NC(=O)CC1(C)C 1305720704 HLSLCENTDBZTAF-DZGCQCFKSA-N 403.531 1.850 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCn1cc(Br)cn1 1307820515 KWTDNYRKMRTKQV-UHFFFAOYSA-N 401.264 1.877 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OC 1309760811 IYMIZASYULNGEA-QGZVFWFLSA-N 422.507 1.877 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1358870642 QIGFKPVKCFQZLP-AWEZNQCLSA-N 409.494 1.818 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1358969362 NSFFXPKBJWSZOP-MRXNPFEDSA-N 419.551 1.168 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCOC1 1358974293 YBCNTSHRZTYZTH-QHCPKHFHSA-N 424.501 1.965 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1359010362 NGWPRHCDULFAMX-CVEARBPZSA-N 402.524 1.099 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCC[C@@H]1C 1359027062 UQIXOFFOGFHHKO-HRAATJIYSA-N 400.527 1.777 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359033771 PCVLVSOTFXQUCP-UHFFFAOYSA-N 417.517 1.687 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(O)(c2c(F)cccc2F)CC1 1359301665 GYWHMWJOXCNEPP-UHFFFAOYSA-N 405.449 1.909 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1359514748 VZEOICJINUXAHZ-MRXNPFEDSA-N 411.510 1.662 30 10 HDEE CC(C)Cc1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1\N=CC=CC1=O 1359826165 OBTUAIMPNAZESP-JSKCELRFSA-N 400.483 1.371 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2COCCO2)CCOC1 1360339737 WSRUDPAHMBUTDH-NQIIRXRSSA-N 419.526 1.864 30 10 HDEE C#CC[C@@]1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCCN1C(=O)OC(C)(C)C 1435145124 NLXPCFRPYPSMBV-IBGZPJMESA-N 404.471 1.098 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 1437059421 MCYRPMAHQSJUJN-LJQANCHMSA-N 403.548 1.709 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c(=O)nc1O 1445873413 BBKXZDPXUJFYKH-UHFFFAOYSA-N 405.296 1.059 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)cc1 1450342440 NZLHIMSORKBWMD-PXUDHTSWSA-N 420.409 1.172 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccc2c1=O 1452244457 JVHVJXFRUWRZBL-LJQANCHMSA-N 402.476 1.212 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H](O)C12CCC2 1453459859 GSHYISMCPBFKBM-SJORKVTESA-N 405.520 1.705 30 10 HDEE N#Cc1cnn(C(=O)c2cnn(-c3ccccc3)c2I)c1N 1454241317 APRQFGUAPOFLAW-UHFFFAOYSA-N 404.171 1.816 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1455207169 ZBOYHCDYSGUWBV-MJGOQNOKSA-N 408.520 1.876 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(Cc4ncon4)CC3)C2=O)cc1 1456023184 ANKSFJHNTSFHNZ-KRWDZBQOSA-N 422.445 1.628 30 10 HDEE N#CC1(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1456148930 ZORUMSOYZHPYJF-QGZVFWFLSA-N 414.510 1.109 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCC1(C#N)CCOCC1 1457110049 NFNQDYBRZSBRJX-RFGFWPKPSA-N 413.396 1.409 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(OC)cc1OC)c1cc[nH]n1 1457189984 ZXLZFWOUSHJKDD-GFCCVEGCSA-N 404.423 1.588 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462354343 DZJMOAONWOESLX-UYAOXDASSA-N 413.437 1.919 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1463874686 QNZOQLFVEXBBJB-UZLBHIALSA-N 402.470 1.226 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1465060053 PPJNFRMMRXFMHP-HLLBOEOZSA-N 409.508 1.380 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2cccc(C#CCO)c2)c1 1466060210 RJVJJNFBCJRWIP-UHFFFAOYSA-N 417.487 1.249 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1 1466689472 BONJEBFLILTKAC-GFCCVEGCSA-N 407.268 1.762 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1466735612 CAVJXLUDVKNMBD-OTJKEOIZSA-N 404.467 1.505 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCSC[C@@H]1c1nn[nH]n1 1467284297 KWTDNZXOFBOMGX-CHWSQXEVSA-N 409.516 1.793 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)cc1C#N 1468031801 ANDCHMDISQKIHQ-ZDUSSCGKSA-N 400.464 1.149 30 10 HDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC(Nc4ccccc4C#N)CC3)[nH]c21 1470610611 BUCAHQLZRPDWTL-UHFFFAOYSA-N 421.461 1.270 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(=O)OC 1471123649 GSOYJLTTYHXULH-NVXWUHKLSA-N 410.492 1.382 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 1471833450 YSRJHNKXWLSDEM-RDPSFJRHSA-N 418.497 1.821 30 10 HDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC#C[C@@H]1CCCCO1 1472320969 WJPKMZTZFMEEJI-INIZCTEOSA-N 422.503 1.205 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NC2CCN(CC#N)CC2)CC1 1472507183 RLXQAHWFQIWNJZ-UHFFFAOYSA-N 417.514 1.568 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)cs1 1492681550 AGBFNNAMGASVRQ-OAHLLOKOSA-N 408.553 1.478 30 10 HDEE C[C@H]1COCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1494579577 LPTBDXZDCBQEPN-CVTQAYBASA-N 423.477 1.015 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1503413215 SBBSFENUGJPLOF-ZZEZOPTASA-N 403.446 1.942 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CCC)C1 1507653070 MRXAIKJLFQIBID-QGZVFWFLSA-N 408.506 1.811 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1NC(=O)CC1(C)C 1507713586 PMYQXEOTJRMCAC-QGZVFWFLSA-N 413.526 1.140 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(Cn3nc(C)cc3C)n2C2CC2)n1 1507715665 AZBLTFVSYYDSJY-UHFFFAOYSA-N 408.510 1.957 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)CC1 1507721363 SERQRIIPMXGILH-UHFFFAOYSA-N 419.489 1.414 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1507732549 OZJHKDHWZZQNCF-QGZVFWFLSA-N 420.558 1.873 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1cccc(O)c1 1508070959 GUBQQIZJMNOILC-CQSZACIVSA-N 400.483 1.622 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508090045 LKXSSVGKBWFYQG-INIZCTEOSA-N 402.543 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1508141661 NVXBLNPZCVUDGX-OAHLLOKOSA-N 409.556 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@H](C2CCOCC2)C1 1508149233 RGRVFLAAYQEJMG-QGZVFWFLSA-N 412.556 1.668 30 10 HDEE COCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)cs1 1518824542 BODWPJCHUTVFPX-ZDUSSCGKSA-N 403.512 1.904 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)CC1 1521149063 OLUNATILXUFQHM-GOSISDBHSA-N 416.526 1.726 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN(C)C(=O)COC)c(C(=O)OCC)c1C 1524507627 AUKREIFHKQDTAC-UHFFFAOYSA-N 412.464 1.619 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nsc(Cc3ccc(F)cc3)n2)C1=O 1529105999 CETUXFPUVVJTBE-UHFFFAOYSA-N 403.395 1.183 30 10 HDEE N#C[C@@]12CN(C(=O)C3(Cc4ccc(F)cc4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1536179191 DDKJQHMRGFDMDP-JXFKEZNVSA-N 406.479 1.562 30 10 HDEE COC(=O)c1cccn(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1=O 1538719339 FBPRYKFCPCDDFT-UHFFFAOYSA-N 422.441 1.857 30 10 HDEE C#CCCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1539139124 BUHZCKYBBHRVCB-NQIIRXRSSA-N 403.527 1.696 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1539361939 JWLJENHROFBCHH-QGZVFWFLSA-N 400.527 1.334 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1540081266 WYTROBHWFZEZGZ-UHFFFAOYSA-N 412.519 1.843 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCN1CCOCC1 1540867847 JZHBAPHYCLACRB-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)C)CC1 1540874759 REIGWQAILOLAAR-UHFFFAOYSA-N 414.558 1.409 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nc(C)cs2)CC1 1540875510 OGWMQJOANFQYIG-UHFFFAOYSA-N 405.528 1.208 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccs2)C1 1540885014 ZWIABAURTFRXHQ-UONOGXRCSA-N 411.553 1.779 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540902285 FPERCCDJWCYHFN-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1540917678 BSYLROSPZYHVTB-INIZCTEOSA-N 402.524 1.134 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(=O)n2C)c1 1544607515 CLKQLDWNDCKJEX-HEHNFIMWSA-N 419.507 1.569 30 10 HDEE C#CCN(CC(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)C(=O)OC(C)(C)C 1545485664 ROGSRYPVTYFPBH-KRWDZBQOSA-N 406.527 1.012 30 10 HDEE CCc1cnc(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)s1 1546326198 FVICLZJPSJDYQC-HUUCEWRRSA-N 420.539 1.992 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1548076154 KLSOSLYDNCPYGT-RCMKLKEOSA-N 412.494 1.360 30 10 HDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1548258640 OQLLVGWFVRXHBW-UHFFFAOYSA-N 422.493 1.891 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CC1=O 1554362922 AGHODXWGGVJSMA-KRWDZBQOSA-N 412.519 1.903 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1555558775 DMQSCWZPSRFGSG-OXQOHEQNSA-N 402.499 1.507 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)C(=O)N1CCOCC1 1564973751 QTNYWLFEWNOJJJ-IBGZPJMESA-N 414.510 1.058 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)nc1 1565120728 VGRYXOOHBIFMFA-ZWKOTPCHSA-N 411.510 1.829 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cnn1CCC#N 1565697935 QTHUJPHEJHYUGV-FUHWJXTLSA-N 400.527 1.558 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 1567313101 PZKRHZIITZNRNW-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N1CC(O)(CC#N)C1)C2 1567757688 FCRAKYZYVFSJNW-OAHLLOKOSA-N 417.462 1.857 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 1568812889 HXLQKBJSJAXFJF-CVEARBPZSA-N 404.511 1.464 30 10 HDEE COc1ccc2c(c1)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CCO2 1569432004 ALLZYQPSCKIPBX-UHFFFAOYSA-N 401.444 1.266 30 10 HDEE N#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 1583395598 QFEVFFSKPMOZTR-IBGZPJMESA-N 405.520 1.839 30 10 HDEE CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1584007822 HZDHGBFITIQPHW-LSDHHAIUSA-N 421.498 1.237 30 10 HDEE COc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)sc1S(N)(=O)=O 1585237248 PLKLEGAJVRMPBH-UHFFFAOYSA-N 406.489 1.691 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@H](CN3CCOCC3)C2)cc1OC 1586248558 NEMDLGUALZQMOI-SUOMESGTSA-N 402.491 1.833 30 10 HDEE CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H](O)c1cccnc1 1587181276 TXPVQOVMAQUPHR-NSISKUIASA-N 422.441 1.088 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(O)CCN(C(C)C)CC1 1587562246 MZASLKRHHSXYFG-QZTJIDSGSA-N 407.559 1.695 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1587794032 ZIYFSYAIIWYRHL-FQEVSTJZSA-N 402.499 1.433 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1588138235 AOBXEJZRRZDMNJ-GOSISDBHSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1588791116 MTJIXUVKMYCPOC-SFHVURJKSA-N 413.547 1.443 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1593690426 LWXOLKFLPWSFGC-DYESRHJHSA-N 419.526 1.491 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1594454572 GKWYCIKAGKJDMS-KFWWJZLASA-N 415.560 1.341 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](COC)C1 1595602003 CVSNXACJQXIJAT-LZLYRXPVSA-N 421.542 1.351 30 10 HDEE C#CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCN(C)CC1 1611145563 RGEPIAFWIOQSPX-IBGZPJMESA-N 407.474 1.319 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)N(C)C 1611511147 KQUPYMSPAXYHNC-VFNWGFHPSA-N 409.494 1.798 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCO1 1611516697 GXFILLMDZYGPLB-QGZVFWFLSA-N 404.444 1.616 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C#N)o1 1614068187 YVQQPPQFBPXBRK-CJNGLKHVSA-N 402.455 1.230 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1CCN(c3oc(C)nc3C#N)CC1)CCO2 1616230434 RGRUDESPRZFYJF-ZGOJQLDESA-N 416.478 1.688 30 10 HDEE C=CC1(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1616675611 ZGLWTXGADVMQOJ-OAHLLOKOSA-N 416.540 1.462 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1617203714 IMSSRMNIPXSBQE-NRFANRHFSA-N 413.478 1.761 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)Cc2ccc(Br)cc2C#N)C1 1617954959 ZOXUQPWYKRZBDU-WFASDCNBSA-N 423.263 1.816 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccn(CCC(N)=O)n2)C1 1618091157 JORZVFNAHZWRPS-UHFFFAOYSA-N 417.267 1.468 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2CCN2CCCS2(=O)=O)cc1 1620351626 DCWVIVGNNHLIBX-UHFFFAOYSA-N 416.507 1.364 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1 1621608855 HXPFMMXBRXLOTR-ROUUACIJSA-N 418.563 1.563 30 10 HDEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1 1622005038 RRSFDRNQGBGIGC-UHFFFAOYSA-N 407.366 1.836 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)OCC 1622450304 OISWESQGBMRLRU-ZDUSSCGKSA-N 409.913 1.751 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(I)s2)C1 1622551106 CPBVYVHFTOMNDI-SNVBAGLBSA-N 410.302 1.729 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc[nH]n1 1625095024 HSYBSFGLUYAFEL-FOIQADDNSA-N 418.425 1.115 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1 1626252569 UQYLWNOAFIVJBX-QFIPXVFZSA-N 415.490 1.875 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)n1 1626713586 KPCAMEXOAUQPPN-OAQYLSRUSA-N 420.510 1.517 30 10 HDEE C[S@](=O)C1(C(=O)NCc2ccnc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1626740824 ZAULJWYZTLQUSX-NDEPHWFRSA-N 406.508 1.718 30 10 HDEE C#CCOc1ccccc1CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 1629274688 NNHPXCXCVAMNGI-IBGZPJMESA-N 417.506 1.980 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)c1ccnn1C 1630881169 QBXNEFREWGHOQR-YPMHNXCESA-N 400.863 1.786 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)n(C)ccn12 1634974000 FIAUQYRVPBFTTC-LBPRGKRZSA-N 424.889 1.123 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccccc2CC(=O)OC)s1 1636374832 FLRXKSOGKWAJNN-UHFFFAOYSA-N 422.528 1.787 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1)C2=O 1638367430 YWYFYSGEELBDID-ZDUSSCGKSA-N 414.425 1.801 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(C(F)(F)F)cc2)C1 1638397651 KHYWMXANSWKODE-IAGOWNOFSA-N 408.424 1.986 30 10 HDEE C[C@H]1CC[C@H](C(=O)OC(C)(C)C)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1638404005 GEXLSYXLGONCRJ-HOCLYGCPSA-N 421.519 1.805 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 1640218033 BTXQWDWUFRFRED-AHRSYUTCSA-N 405.458 1.566 30 10 HDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nnc(O)n1C 1640331493 SYXINECIGWDGIS-BGKJIHHVSA-N 404.471 1.485 30 10 HDEE Cc1cnc(OC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)nc1 1640455589 LBOPRGRYWDVQGY-UHFFFAOYSA-N 418.450 1.905 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 1640698357 OXCGENHWRJHVMA-FUHWJXTLSA-N 415.519 1.672 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)c(=O)nc1O 1640704916 UKIHXYFNLUQIAE-LJQANCHMSA-N 402.838 1.374 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1641194696 IWJOLJKVJKWHIL-UWJYYQICSA-N 417.575 1.829 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(O)(C1CC1)C1CC1 1641438222 KVURUQPVNWLNFI-QGZVFWFLSA-N 419.547 1.807 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 1641976717 RGIAFXJRWPQWTH-UHFFFAOYSA-N 400.172 1.800 30 10 HDEE N#Cc1ccc(C2(NC(=O)c3cc(S(N)(=O)=O)ccc3F)CCOCC2)cc1 1642633195 YHXOZXQXCGWSNI-UHFFFAOYSA-N 403.435 1.780 30 10 HDEE Cc1ccc(C(=O)N[C@H]2c3ccccc3OC[C@@H]2F)cc1S(=O)(=O)NCC#N 1644625796 CTRHZGXUEIZGFP-YJBOKZPZSA-N 403.435 1.999 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 1644947773 IYBGBIOHKILNNB-SFHVURJKSA-N 409.577 1.300 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)C1 1645274435 QAVPDNFFCUUVCN-FUHWJXTLSA-N 416.547 1.498 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCOC2=O)CC1 1647998855 TUWVUZKXKRKFDA-AWEZNQCLSA-N 420.491 1.058 30 10 HDEE COc1cc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)ccc1Cl 1652134403 QNCMUNQVWZURJW-UHFFFAOYSA-N 405.838 1.934 30 10 HDEE CCN1CCN(C2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1652628845 MKOHXEZXFXUNNV-INIZCTEOSA-N 415.925 1.413 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3cccc(F)c3)CC2)c1 1653360990 XTPDYPPPRDYSSJ-UHFFFAOYSA-N 408.433 1.913 30 10 HDEE CN(CCn1cnnc1)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1654685914 TTZURLOFQLHZDM-MRXNPFEDSA-N 411.510 1.580 30 10 HDEE C#CCn1ccc(CN(CCOC)CCN2CCN(C(=O)OC(C)(C)C)CC2)n1 1658504526 CCXVKXXGYWRXIA-UHFFFAOYSA-N 405.543 1.517 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC 1664237473 BTTXDCXYCNXVFX-MRXNPFEDSA-N 416.521 1.403 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 1666053217 ITKUMOSPMDLBSB-NSHDSACASA-N 405.854 1.953 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1669252212 AILFPKQABBFKEK-AWEZNQCLSA-N 418.441 1.746 30 10 HDEE C#C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C1CCOCC1 1670502177 HCPFORVXKGLSGP-SFHVURJKSA-N 404.488 1.411 30 10 HDEE C#CC1(O)CN(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 1674304995 OBCWGHUVPAIGCB-UHFFFAOYSA-N 410.440 1.607 30 10 HDEE COc1cc(NC(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)c(F)cc1C#N 1679427866 CGRMIQQALOSZEQ-UHFFFAOYSA-N 402.386 1.405 30 10 HDEE C=CC(C)(C)CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1683172881 HWMVSCZUWMNKPY-UHFFFAOYSA-N 409.508 1.732 30 10 HDEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1683573071 RTUXUDNPOXUUIT-AHXJXLJNSA-N 414.528 1.258 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CCO2)cc1 1683873631 YTQZFRFAIRWOGF-DQXYTYHJSA-N 403.504 1.997 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)N3CCO[C@@](C)(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1687043991 FJFGSCGTOLCBDM-LIVBEALHSA-N 402.499 1.432 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(C(N)=O)CCOCC1 1689955945 ZJQOUWDKGAOFPT-UHFFFAOYSA-N 413.478 1.314 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1COCCO1 1690054955 KKGPEWCZGZHRSP-SFHVURJKSA-N 410.474 1.744 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690183167 OMDALHFDSPHEPZ-OKILXGFUSA-N 419.532 1.198 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690449983 WPNSRBBAJQELGA-HZPDHXFCSA-N 405.499 1.231 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690508404 IEYILSBXWJGAKG-OXQOHEQNSA-N 405.499 1.796 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 1690669138 VLVVUGOASSPCTD-UHFFFAOYSA-N 421.505 1.787 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(CC)s1 1690669415 DXYUANDZGJHQNZ-CYBMUJFWSA-N 403.512 1.187 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](OCC=C)C1 1690674310 WNAVNBNECOZJML-SFHVURJKSA-N 421.505 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@H]2C)C1 1690684266 CDHWYBSYOLEGQF-KZNAEPCWSA-N 403.527 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690722803 WJUQAFKKVGNFHL-GJZGRUSLSA-N 419.463 1.055 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690726962 RKLAQQVQHYBTDD-UHFFFAOYSA-N 423.583 1.526 30 10 HDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)s1 1693449400 FBQFEGMYJLXFKB-UHFFFAOYSA-N 417.520 1.506 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)C(=O)OC(C)(C)C 1693491029 UYBKVOFWMOLTGK-UHFFFAOYSA-N 413.482 1.988 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)CCO1 1693782162 CBIZVNCANUKWDX-LBPRGKRZSA-N 408.384 1.720 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1694613784 XICBIFOHSZUIGL-CVEARBPZSA-N 413.526 1.807 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCC(C)C)CCOC1 1696098838 WEZGTVYSKQBIIN-XLIONFOSSA-N 407.515 1.722 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1696573805 DPNYNSSLPKNHNG-MRXNPFEDSA-N 409.494 1.717 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1696955302 OUTMAXLVJBFXKP-UHFFFAOYSA-N 412.494 1.178 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCO2 1698171218 PEIDNWXPKJPGAC-GOEBONIOSA-N 415.450 1.508 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1705533879 SXZDDGHBGFEGDS-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1705551234 JWNHRJKKWNHWDW-AEFFLSMTSA-N 419.526 1.692 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705560229 ISPJNPQTOFDJJE-ULQDDVLXSA-N 424.567 1.675 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705565661 IQWPSDISBDWWNE-LJQANCHMSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705580068 CJAHNCDFKDBMNQ-NRFANRHFSA-N 420.498 1.535 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnc2ccccc21 1705581312 YERBZFYTPCMCJF-GOSISDBHSA-N 401.474 1.742 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1705729490 ZQJMGBPFZIJBHQ-UHFFFAOYSA-N 401.515 1.960 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CC2(O)CCS(=O)(=O)CC2)C1 1705915380 JYUHLBNKQIDTAS-CVEARBPZSA-N 412.556 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(N)=O)c2)C1 1705922542 OGLPFRNPQSOVDS-SJORKVTESA-N 410.478 1.158 30 10 HDEE CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1706063166 BUCCYFYZQVYDIN-QGZVFWFLSA-N 402.886 1.777 30 10 HDEE CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1709398327 YLQSPOXIVQLPRA-VGOKWCNXSA-N 422.555 1.707 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1711387646 CJJHTOMPNGMOHZ-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@H]21 1722332273 HLIZRUQSJPLCBO-BBWFWOEESA-N 407.540 1.403 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cc(CO)nn1 1722357262 WBEIMHVCCLZVHI-UHFFFAOYSA-N 404.478 1.525 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1 1722372668 CDHQCFRSONSHAX-HNNXBMFYSA-N 401.492 1.018 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1722389635 KZIYPSRCPUNFMM-INIZCTEOSA-N 407.540 1.046 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCOCC2)CC1 1722437385 SJNKAEIWTBQVOO-FQEVSTJZSA-N 416.570 1.387 30 10 HDEE C#CCSCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1722452332 STRJRTGYKJTHJL-CQSZACIVSA-N 403.483 1.860 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1722476072 YBGYLTYCSPTJMA-VQIMIIECSA-N 406.552 1.989 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722529362 YQRQWKOIQAAYEL-HXUWFJFHSA-N 424.505 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1722693500 PXWJJYNYOJIIDN-CJNGLKHVSA-N 421.498 1.445 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1c(C)nn(C)c1C 1722727594 MZDQZTNXUJXUOZ-UHFFFAOYSA-N 417.539 1.861 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722750741 NYYDGCDBIFBNNX-OAHLLOKOSA-N 419.507 1.258 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(Cl)nc1 1723924834 FRUAXQCILIYNDZ-LBPRGKRZSA-N 423.930 1.725 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1729164604 FYWQMQKCLUXDNY-YLJYHZDGSA-N 404.515 1.143 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1729746469 PILQBUSCTWCRFQ-CJNGLKHVSA-N 422.486 1.072 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740590924 KRKBEELXJMRGDX-YJBOKZPZSA-N 416.503 1.827 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCN(C)C1 1740683088 UJMJTXAGWCNHJO-QHCPKHFHSA-N 420.517 1.646 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(CC(C)C)C1 1740684447 RMRNSWKFZFDQSV-OALUTQOASA-N 416.570 1.683 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCOC)CC1 1740694783 UFDUCZISVPNSAY-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1740835019 BIZNIKCCBJNRQP-NHCUHLMSSA-N 403.527 1.811 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740876646 WCRMSAFKDUDWSK-GOSISDBHSA-N 404.559 1.739 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740947988 OFPHGSKCNQAQHN-KRWDZBQOSA-N 406.494 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1740957292 IYBNSROEPWQFFO-GDLZYMKVSA-N 412.519 1.949 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC=C(C)C1 1740960468 SDDFYTBOOTUDLQ-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(COC)CC1 1740989508 PDCPFTKLLZKSBM-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1741000757 VUTGKPYOZPJZIW-INIZCTEOSA-N 403.556 1.902 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nnn(C)n2)c1 1742358242 GPVNZMBCBQLSIG-HXUWFJFHSA-N 407.482 1.867 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1747534694 GDLKCMOHSKNXKJ-GOSISDBHSA-N 421.505 1.496 30 10 HDEE CN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1747828463 RETMFXZYMPQNHH-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1748316078 IFAQLQXRMWMCIA-OFJJUDJNSA-N 413.503 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1748640694 WYHFJIPJNRTEPR-CVEARBPZSA-N 418.567 1.456 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1748747013 APXJNNYYRPNKLS-IAGOWNOFSA-N 413.526 1.225 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1748789736 BIDAXSSQRCLTNW-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748808655 FMRPLARUNGPBET-RBUKOAKNSA-N 414.531 1.997 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1748891818 GSTCYZRGWQBTSG-GUDVDZBRSA-N 418.563 1.704 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCO[C@@H]2CCOC2)CC1 1749004411 IJVNQDPGQQTRPE-PKOBYXMFSA-N 417.554 1.953 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1749053286 FNKZRIQQWIYFNA-FZKQIMNGSA-N 422.942 1.977 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750380603 UYFILSWYFBQTFI-IETCZJMGSA-N 422.424 1.308 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1750386058 GMCRZBXAVDACEO-STQMWFEESA-N 421.395 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1760117689 SALDWGYKPNNDKP-RDJZCZTQSA-N 402.520 1.889 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1760138278 VQJSFQOTUJEXJI-IRXDYDNUSA-N 411.572 1.897 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760151532 FFUSMRYGHLJXME-INIZCTEOSA-N 419.555 1.200 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1760201596 GHPAMFSHJCIGQS-UHFFFAOYSA-N 418.457 1.208 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1760294460 XKEMDKKTQDLBJL-OXQOHEQNSA-N 400.527 1.332 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1760366739 IDWULMSXRBRUTQ-KBPBESRZSA-N 402.952 1.315 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1760504967 HHBSQDRWDOERKW-IAGOWNOFSA-N 411.572 1.161 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760522275 PHHIBGPCCDRVBE-CABCVRRESA-N 418.523 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@H](C)[C@H]1C 1760553487 DMQGCYUCUCWUQH-ZIAGYGMSSA-N 408.553 1.666 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1764464636 FYZCBNCGBXEADC-LJQANCHMSA-N 420.514 1.889 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1766870563 OSFSLHWWTVZUED-QGZVFWFLSA-N 405.466 1.338 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1767428813 KTXFGXMSMKECGN-FQEVSTJZSA-N 414.466 1.145 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1769199664 HGZJKNXREGGVEP-RTBURBONSA-N 424.505 1.585 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)c1 1771531040 ZSLGURNKAQFAPQ-MRXNPFEDSA-N 416.432 1.943 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1 1771532209 RTUWVTWIFRSXEG-SFHVURJKSA-N 421.505 1.435 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)CC1 1771535265 GOMYPNHARBKXTD-QGZVFWFLSA-N 415.519 1.868 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1nn2c(=O)cc(-c3ccccc3)nc2[nH]1 1772789499 ACMVXEUQOWXYFS-UHFFFAOYSA-N 401.338 1.453 30 10 HDEE CC(C)[C@@H](C(=O)N1CCC(C#N)(c2ccccc2)CC1)N1CCS(=O)(=O)CC1 1851761983 VZZJWVDCOJBROA-IBGZPJMESA-N 403.548 1.825 30 10 HDEE C[C@@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)N(C)C(=O)OC(C)(C)C 1851944239 JBCHHZDLSVRNFI-INIZCTEOSA-N 417.510 1.874 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N=C3NN(c4ccc(Cl)cn4)C[C@@H]3C)C2)no1 1852032431 UTGWSILXLCGHDS-JTQLQIEISA-N 402.842 1.689 30 10 HDEE CS(=O)(=O)N1CCN(CCOC(=O)c2cccc(-c3ccc(C#N)cc3)c2)CC1 1852121192 MVYOHHJZNDMURK-UHFFFAOYSA-N 413.499 1.959 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3cc4n(n3)CCC[C@@H]4N3CCOCC3)CO2)nc1 1852607578 VBZVEGLAMBQMHU-AEFFLSMTSA-N 424.461 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1853734906 MAMFQCCIJOPYLP-DLBZAZTESA-N 404.511 1.997 30 10 HDEE CCCC[C@H](F)C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283917 QEYIKXBUHBUXSQ-RDJZCZTQSA-N 402.474 1.515 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854366267 DAANXMLGCUGKDK-IBGZPJMESA-N 400.523 1.944 30 10 HDEE Cc1ncccc1C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1855021090 ZNNPPBFXBDJBTD-IBGZPJMESA-N 405.458 1.941 30 10 HDEE Cn1cc(CC(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 1855446608 XMEKSWJMNUAXQL-FQEVSTJZSA-N 407.474 1.505 30 10 HDEE COc1ccc(OCC(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)c(OC)n1 1856146694 TZWXFJZAIZMZJJ-MRXNPFEDSA-N 416.478 1.478 30 10 HDEE CCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)CC1 1856906536 MUDARCPTWWLUJX-UHFFFAOYSA-N 404.492 1.122 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)C2=O)CC1 1857266279 CVJGRADXPVQSJE-ZDUSSCGKSA-N 406.368 1.725 30 10 HDEE COc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)nn1 1857495568 GXWUMCDQKGBAFO-UHFFFAOYSA-N 407.430 1.303 30 10 HDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c(O)c2)cc1F 1862637566 HAAZACISTYPYMA-KRWDZBQOSA-N 403.362 1.816 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccn2)C3=O)c1C#N 1865883684 HBKLXGZFGKNLIY-UHFFFAOYSA-N 411.381 1.213 30 10 HDEE COc1cc(C(=O)N(CCC#N)CC(=O)O)c(Br)c(OC)c1OC 1866304625 RREALMDIYSTWJU-UHFFFAOYSA-N 401.213 1.915 30 10 HDEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N(CCOC)CCOC)n1 1871477674 MHWVPEXVCALIKG-UHFFFAOYSA-N 415.498 1.693 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)cc2c(NCCN3C(=O)CSC3=O)ncnc21 1875232699 URYCLRHCTDSDBT-UHFFFAOYSA-N 414.491 1.961 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N[C@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2166296324 PMRANQPBHSYMPM-SJKOYZFVSA-N 403.501 1.604 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174771543 OHGONUGWUVSLHS-MRXNPFEDSA-N 400.545 1.635 30 10 HDEE C#CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 2180035281 CLYNZCHZJMMMAS-VXGBXAGGSA-N 412.430 1.339 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COCC(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195311685 YZAFMFHMZLXEMO-CQSZACIVSA-N 404.529 1.928 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2235421797 SFSQDHIOBXCAKU-KBPBESRZSA-N 401.359 1.291 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243430256 ONFCYLFPZMCTTQ-XZDPQHSOSA-N 406.288 1.418 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247814105 OCPHSXCMOQARJX-WDNDVIMCSA-N 418.303 1.304 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCCC#CBr)[C@H]1OC 2250008731 PJLQDWHQQMWMIO-AGIUHOORSA-N 405.289 1.498 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258162663 SJUYEQIWBSXSQY-QGZVFWFLSA-N 408.476 1.129 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34COC[C@H]3C4)cc2Cl)OC1(C)C 2267356484 YPWMKXNRLMIATA-PSLIRLAXSA-N 405.734 1.768 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](N)C(F)(F)F)OC1(C)C 2267712333 DJRADOPORCMFHG-SECBINFHSA-N 400.253 1.215 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)S(C)(=O)=O 2281823434 YPGQJVKJAIIBJQ-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CSCC[C@@H](O)CCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281962841 DTJPTPHVHJQSOR-LBPRGKRZSA-N 400.375 1.985 30 10 HDEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281963281 JXXUBPIISPTVNY-KOLCDFICSA-N 419.761 1.864 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(N)=O)C(C)C 2282316857 IXBZMVYTOMRUIR-ZDUSSCGKSA-N 402.347 1.144 30 10 HDEE CCC1(N)CC(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282320105 CWAFUYIKWIKDIR-UHFFFAOYSA-N 400.375 1.904 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1csc(Cl)c1 2282330059 VADWVCSSERZTIA-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[S@@]1=O 2282333034 JQBLWYICIDNPGX-VWLOTQADSA-N 419.399 1.579 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1COCCO1 2282348252 JCGBZOLRGSUXKR-VXGBXAGGSA-N 403.331 1.130 30 10 HDEE CC1(C)NCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282497942 WYIPDHNDNLXMDX-GFCCVEGCSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CCOC3)ccc2Cl)OC1(C)C 2282498899 KZRFVQBCOILPSZ-GFCCVEGCSA-N 401.721 1.954 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(C)CCCN2)OC1(C)C 2282506815 XWLSTEINQAUYFZ-KRWDZBQOSA-N 400.375 1.609 30 10 HDEE CC1(C)OB(C2(C(=O)NCCCNS(=O)(=O)C(F)(F)F)CC2)OC1(C)C 2282549081 FGUDZGOZGHRDGP-UHFFFAOYSA-N 400.228 1.558 30 10 HDEE C[C@@H]1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282852493 PZCLGUCAUYZFEB-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@](C)(O)C2CC2)OC1(C)C 2282875441 OWYGJONXEVKLRY-QGZVFWFLSA-N 401.359 1.628 30 10 HDEE C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877749 WILVAKMJVJNZJK-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE C=CCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)OC 2330772883 IMLONVXBMHMQJE-UHFFFAOYSA-N 403.464 1.626 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@]2(C)CNCC2(F)F)OC1(C)C 2361532286 IAFZGJWLVDPLOT-AWEZNQCLSA-N 408.301 1.323 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362569962 RYUAFRWLJKRYKV-NSHDSACASA-N 402.347 1.385 30 10 HDEE Cn1cc(I)c([C@@H](C#Cc2nccs2)OCC(=O)O)n1 2363664107 IRHPLUWZGYOJDV-SECBINFHSA-N 403.201 1.675 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CCC[C@H](S(N)(=O)=O)C2)OC1(C)C 2364857535 CXXATGIPFBGULU-LBPRGKRZSA-N 401.725 1.292 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2ccc(I)cc2)CC1 2367820599 WBFORRSVQFVAJV-STQMWFEESA-N 405.257 1.233 30 10 HDEE Cc1ccc(S(=O)(=O)/N=C(\N)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 20857202 AGYYKIMQMKKZKM-UHFFFAOYSA-N 403.464 1.729 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 45883759 QEKBBEPQXOSVQS-AWEZNQCLSA-N 419.441 1.469 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](S)C[C@@H]1CN(C(=O)OC(C)(C)C)S(N)(=O)=O 142353782 JQXFEQZHDMPMJE-GHMZBOCLSA-N 411.546 1.735 30 10 HDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](N[C@@H](C)c3ccccc3)[C@H]2O)cc1 245380639 DXIMAQSOGTXDBC-ADWMHYPASA-N 419.499 1.904 30 10 HDEE CN[C@H](C#N)CCn1cnc(I)c1I 379495599 YNIUJIHQYXFUAT-LURJTMIESA-N 416.004 1.594 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)C1=O 410177802 IDHHKBGPIMYOFZ-GOSISDBHSA-N 423.535 1.341 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CN1C1CC1 441291578 GRSYCUMZNYXVRS-WBVHZDCISA-N 417.535 1.199 30 10 HDEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)s1 445019898 MVDSAKBZLSZNQN-SNVBAGLBSA-N 410.467 1.641 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474689518 XGILLIOKXMBKPP-VQTJNVASSA-N 403.479 1.932 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2c(CC)noc2C)cc1 477565236 RCSSHMKOAOZLIF-UHFFFAOYSA-N 420.491 1.607 30 10 HDEE N#CC1(NC(=O)Cn2c(O)nc3ccccc3c2=O)CCN(Cc2ccccc2)CC1 479313329 UUTSGERDQFLRCH-UHFFFAOYSA-N 417.469 1.777 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 480525007 KDQFBSXGBFAARW-NSHDSACASA-N 400.416 1.195 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C 497558725 XHLDYRJWABAJGL-UHFFFAOYSA-N 410.524 1.693 30 10 HDEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505244931 NXTAISMZUYURAX-CQSZACIVSA-N 406.508 1.854 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 508874764 SFWUVDGDPAURQP-INIZCTEOSA-N 421.505 1.966 30 10 HDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccc(C#N)cc1C(F)(F)F)C2 516898925 NUXRAMUWOHQLOQ-UHFFFAOYSA-N 408.384 1.039 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)CC1 518287892 VBYYAUBWEDCZPL-UHFFFAOYSA-N 404.390 1.405 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1ccccn1 522386559 YUJVEFOIWHRCNS-UHFFFAOYSA-N 422.535 1.876 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccccc2OCCN2CCOCC2)CCCC1 545357521 MZBKKCPYWMZOTC-UHFFFAOYSA-N 407.536 1.901 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 554898490 ALVINVMYFABIFE-LLVKDONJSA-N 419.463 1.244 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nnn(Cc4noc(C)n4)c3C)cc2C1=O 556491870 ISHXLAXMXWEAFZ-UHFFFAOYSA-N 407.390 1.361 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 557721948 LOOOAXCJIGZSIH-UAGQMJEPSA-N 402.882 1.869 30 10 HDEE C=CCCCN(C)CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 576167050 NIQZSSWAHQZPBT-UHFFFAOYSA-N 411.524 1.553 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccnc(O)c1Br 580152591 JSTCZHXKZBJRPS-JTQLQIEISA-N 403.240 1.562 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 609069667 BNBPFNMZSWXRSW-UHFFFAOYSA-N 408.458 1.790 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C[C@H](C)C#N)C3CC3)c2)CC1 611086517 GJZXKHZOESOKFG-OAHLLOKOSA-N 418.519 1.304 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(C(=O)N3CCCC3)CC2)C1=O 726585466 XDEQZLAMOYYHSW-UHFFFAOYSA-N 409.490 1.614 30 10 HDEE C#CCN(C(=O)CCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCS(=O)(=O)C1 729334307 LXZHMQNCDLKFOS-INIZCTEOSA-N 405.451 1.847 30 10 HDEE O=C(NC[C@H](O)C(F)(F)F)C(=O)Nc1ccc(OCC(F)(F)C(F)F)nc1 729786579 RETRQXMMMBJQLB-ZETCQYMHSA-N 407.242 1.339 30 10 HDEE C#CCN(C(=O)c1cnn(-c2cccc(Br)c2)c1)[C@@H]1CCS(=O)(=O)C1 730212496 AGCMOJZQIVRDQH-MRXNPFEDSA-N 422.304 1.897 30 10 HDEE CC1CCN(C[C@H]2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)CC1 732465209 DVFIJCNVDRSZOC-FTHOYRMOSA-N 403.527 1.666 30 10 HDEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 732707348 YFKIZWUSSFMDCN-SOLBZPMBSA-N 411.506 1.437 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 734669326 SXOPPHVVAGIUCA-VHEBQXMUSA-N 402.426 1.905 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742657372 AGXPSXJIXBFZCB-ZBFHGGJFSA-N 420.535 1.363 30 10 HDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1 746679997 FTMITMDVMRPZDO-UHFFFAOYSA-N 418.427 1.619 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)cc1C#N 747499202 XMJAJPMDFXAEQI-UHFFFAOYSA-N 422.441 1.957 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 748814111 ZOZDTTYKWPAOEV-GOSISDBHSA-N 411.481 1.833 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)Cc1cccc(C#N)c1 750433542 BIKKZFODAQOVOO-ZDUSSCGKSA-N 413.455 1.269 30 10 HDEE C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 750433773 HOPFWKWGFNRJPK-KBPBESRZSA-N 415.471 1.557 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@H](OCCCc2ccccc2)C1 752961822 CKMNICSXAPPOHK-MKSIGINJSA-N 412.490 1.946 30 10 HDEE C[C@]1(c2cccnc2Cl)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 753918189 YCSPANBFDYDYNG-GOSISDBHSA-N 418.862 1.848 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 758075925 NQNPUVPQXIPLBV-UHFFFAOYSA-N 402.397 1.833 30 10 HDEE Cn1ccnc1[C@](O)(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 761038090 PQXSZOQPQOPJRQ-QGZVFWFLSA-N 408.384 1.176 30 10 HDEE CN1CCO[C@H]([C@H](NCCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc2)C1 768227167 FKJYYIYSXPWEJN-LFGCOOLASA-N 404.898 1.828 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 770472833 YIBRMTNUJZNXFW-QOCHGBHMSA-N 402.410 1.938 30 10 HDEE C#CCN(C(=O)NCc1cc(OC)ccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 774251971 PTZMYCLRQHLJKA-CYBMUJFWSA-N 402.419 1.629 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)n1 788576746 IVPLHQUDEGSENF-UHFFFAOYSA-N 423.473 1.846 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 794109511 QALHJJSBFAWWRP-OHFALNGGSA-N 405.520 1.656 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)C1 796133448 UNKUHQVMFZTNDE-ZIAGYGMSSA-N 406.533 1.828 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 798070433 GIJVSLZINVGQCL-MSOLQXFVSA-N 417.531 1.509 30 10 HDEE C[C@H](C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)n1cnc(C#N)n1 798740098 KRVOTXBQBUGOGV-CQSZACIVSA-N 410.434 1.131 30 10 HDEE C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC(=O)N1C 800525801 RBWUJTSWADBHBS-GJEKEPIOSA-N 407.496 1.194 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCN2C(=O)c3ccccc3C2=O)n1 805819694 XFOFHTUDDBPAMM-UHFFFAOYSA-N 423.473 1.361 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC(=S)Nc2ccccn2)cc1Br 807977917 DKAQIIWFBWXXDH-UHFFFAOYSA-N 414.310 1.812 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2ccccc2S(C)(=O)=O)c1 810938817 CBJPINJHXKMLIW-UHFFFAOYSA-N 407.469 1.359 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)OCc2ccccc2)n1C[C@@H]1CCCO1 812309442 XAHKSBQSOSTIAM-IBGZPJMESA-N 407.474 1.956 30 10 HDEE Cc1cc(=O)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1-c1ccccc1F 1124649982 BBKNTZXMQWGYOH-UHFFFAOYSA-N 423.408 1.364 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H](C#N)C3CCCC3)CC2)c1 1132850696 ZOGIQWIFKARZNN-IBGZPJMESA-N 404.536 1.645 30 10 HDEE CC(C)(C)OC(=O)COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134279164 MNGTWFSONISEAK-YWZLYKJASA-N 420.487 1.417 30 10 HDEE C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134645733 TTZSRARHDKWZBR-BFQNTYOBSA-N 402.394 1.869 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)cc1 1136064167 FTCSPHFMISLAIO-UHFFFAOYSA-N 422.894 1.800 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(CC(=O)OC)c2C)s1 1138437986 OQDGPCVZFSXKBR-UHFFFAOYSA-N 412.493 1.072 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](O)c2cccc(Br)c2)n1 1139834032 UNAUOLRUXIJOOW-KRWDZBQOSA-N 406.280 1.987 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NOCc1ccccn1 1141946470 QCIDXABRJUZNSQ-UHFFFAOYSA-N 402.476 1.929 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1C[C@@H](N(C)C)C1 1143802857 LJMQICXHQLYWMR-HLLBOEOZSA-N 406.552 1.596 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)NCCOCCS(N)(=O)=O)cc2)cc1 1157162989 QBCCYIALJGMLMN-UHFFFAOYSA-N 403.460 1.580 30 10 HDEE C#CCN(CC(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)C(=O)OC(C)(C)C 1157849730 RWKRNAUWQWJEDC-KBPBESRZSA-N 417.428 1.726 30 10 HDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1168652346 AUDVFDCQJLKZLB-IBGZPJMESA-N 420.391 1.813 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)CC1 1175514691 DTSGYJZYXQLRHJ-UHFFFAOYSA-N 412.515 1.964 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCc3c(sc(N)c3C#N)C2)CC1 1176770990 CNKOEXMOTYSNBB-UHFFFAOYSA-N 403.552 1.665 30 10 HDEE Cc1ccc(C(=O)NCc2nc3cnccc3s2)cc1S(=O)(=O)NCC#N 1177554795 IFKCAZABIOMPIL-UHFFFAOYSA-N 401.473 1.732 30 10 HDEE C#CC[C@H](CO)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 1202537232 PWGUHVUJZSXBFK-CQSZACIVSA-N 413.312 1.789 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 1208392032 HAGNWARTRHKKEX-UHFFFAOYSA-N 415.490 1.824 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1286359338 ZNAJBDUVBWBHOU-UHFFFAOYSA-N 403.508 1.079 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1286372189 OUOOBHNYXHTBJH-KRWDZBQOSA-N 403.508 1.568 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286393564 QTXBNOMZJPPEEH-SFHVURJKSA-N 416.551 1.419 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)NC 1286461214 PMJWBUUYQZWIPB-UHFFFAOYSA-N 412.494 1.369 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286467933 XMWBDFXGYMBPIX-JKSUJKDBSA-N 415.460 1.752 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@]2(N(C)C)CCSC2)CC1 1286487679 XIAPDDHPQJVLJC-NRFANRHFSA-N 418.611 1.805 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H]1OC 1286522060 GISRAUWZNWSXOK-WOCWXWTJSA-N 406.552 1.987 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1286536724 RRYXSAQVIMWOCQ-LBPRGKRZSA-N 423.333 1.146 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1286703711 QUPCMKSWKAHKOQ-IBGZPJMESA-N 402.524 1.938 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@H]1C 1286764448 PMTUNLAZCKLEEI-HZUJVAHNSA-N 415.494 1.597 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncc(Cl)n1C 1286786278 QFSXOUUWBIIGIJ-ZDUSSCGKSA-N 407.906 1.845 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286787417 FPFAPORNJYANNF-DLBZAZTESA-N 402.543 1.395 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCCCC2)C1 1286789005 MOMGHJVXERNOLY-IBGZPJMESA-N 409.538 1.631 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(C)=O)CC1 1286823544 WBIBYLROXPUDQM-UHFFFAOYSA-N 409.556 1.280 30 10 HDEE COC(=O)CN(CC#N)C(=O)C[C@](O)(c1nc2ccccc2s1)C(F)(F)F 1293846754 SKLBVSBJMOZTBO-HNNXBMFYSA-N 401.366 1.961 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)C2CCOCC2)C1 1294704709 ODQHHJBVRSSZFW-KRWDZBQOSA-N 408.296 1.661 30 10 HDEE CCCNC(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1294851179 HDAGAKLHPRSZCF-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE CCN1CCN(CCCCn2c(CC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1296203441 NIWXUEDODDRHEY-LJQANCHMSA-N 403.575 1.623 30 10 HDEE Cc1ccc(C[C@H](CO)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1C 1298956795 BJJOPHWDZBYQJO-HXUWFJFHSA-N 400.500 1.810 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)C1 1299015871 LAYNSKOPCSOMGG-NRFANRHFSA-N 412.494 1.442 30 10 HDEE N#CCSCC(=O)N1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1299257096 QUZLQTREQMIBED-UQZKUAJDSA-N 403.548 1.754 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300417274 SAIDTWLHCSGFMD-UHFFFAOYSA-N 416.551 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1300506338 QXBWOZTWXIVCNO-UHFFFAOYSA-N 413.441 1.145 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1301043858 FCHDLWVWZXIQRK-AWEZNQCLSA-N 403.936 1.600 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301481769 PJOPHQOUGVSFCO-QZTJIDSGSA-N 410.522 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1c(C)noc1C 1301578761 HZEAFTCTWLSWNF-UHFFFAOYSA-N 417.495 1.577 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCOCCCO)cc1 1302991782 OBJGUZWQDGVPRS-MJGOQNOKSA-N 424.505 1.178 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC2(F)F)CCO1 1303008893 BSXDDYXTUOQXDQ-HUUCEWRRSA-N 408.453 1.955 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CCO)cc1 1304783038 JJZQBXAMMRXNED-UHFFFAOYSA-N 401.488 1.357 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1305720631 GBEGQBUKSLOVMO-ZBFHGGJFSA-N 424.571 1.902 30 10 HDEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)o1 1306009079 CQCDAKVSYMBTSA-SCLBCKFNSA-N 422.486 1.529 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)C[C@H]1O 1315108339 FWGLGIBFRVBJBS-RTBURBONSA-N 424.505 1.273 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1F 1326047203 NXVFTIHQCJLOMM-ZDUSSCGKSA-N 424.313 1.540 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)O)CC2)C1 1326375168 FRBMGCNIWIOMEE-MRXNPFEDSA-N 422.503 1.589 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(C#N)CCCOC3)c2)CC1 1355663075 MNUQSCZMJRXHDU-IBGZPJMESA-N 406.508 1.272 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1358871208 AZMRHSNTUIUIAB-BBWFWOEESA-N 410.588 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1358874561 YTHFXGOUNWVHFL-IERDGZPVSA-N 403.527 1.822 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358926528 RXBPCNVRHYKTCY-MRXNPFEDSA-N 404.540 1.463 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358955160 FXBBPQIBGCLROY-MRXNPFEDSA-N 404.540 1.293 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1358985261 UHUGQMDZNMKIIP-CQSZACIVSA-N 421.473 1.678 30 10 HDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccccc1 1359137077 DLUSWZDUDIHCQY-QFIPXVFZSA-N 408.506 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359334564 JUDFUOMXIJXPFA-HUUCEWRRSA-N 407.540 1.094 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(N)=O)C1 1359341323 SJHYBLAQQUPXDH-ZDUSSCGKSA-N 418.523 1.627 30 10 HDEE Cn1c(C#N)ccc1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1435583120 YHOGZVRPVCPGTN-UHFFFAOYSA-N 401.366 1.999 30 10 HDEE CC[C@@H]1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1439796656 NRRFEQAROAFYRO-NRTGNBEESA-N 411.524 1.419 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)CCO1 1440155161 DNSPNXKRQUZLDJ-HZPDHXFCSA-N 405.520 1.985 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)NCCN1CCOCC1 1443334740 HMSMUYDIOOGTFA-BEFAXECRSA-N 411.506 1.632 30 10 HDEE Cn1cc([C@@H]2CSCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1449013651 MZBPJOHMUVDEIG-INIZCTEOSA-N 408.480 1.787 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)c(F)c1 1449147478 JPLWLBBUAIKBCQ-YJBOKZPZSA-N 411.437 1.497 30 10 HDEE C[C@@H](CC(=O)NCC1(O)CCC(F)(F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1453938189 URHBDBNROAAOCX-LBPRGKRZSA-N 415.462 1.560 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(-n2cccn2)cc1C)c1cc[nH]n1 1457150965 YRWZDZLMEGSYIK-UHFFFAOYSA-N 410.434 1.504 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(C)c2ccc(C#N)nc2)C1=O 1461304567 NIQOGLDOAKANOI-NRFANRHFSA-N 407.430 1.700 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(Br)c2F)C1=O 1461772695 KTJMSCSOXVKHPV-UHFFFAOYSA-N 402.151 1.643 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@@H](N2CCNC2=O)C1 1462964709 HMCQMWAMLWQTQV-CYBMUJFWSA-N 413.297 1.499 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CCO2)cc1 1463100803 OSHOTBNZAYSHKD-QGZVFWFLSA-N 420.381 1.663 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1C1CCOCC1 1467707478 OJWBTHFKEUZZAW-LJQANCHMSA-N 407.474 1.946 30 10 HDEE COC(=O)[C@@]1(N2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1473660094 YZVYBHBFQWGDMZ-HXUWFJFHSA-N 420.897 1.490 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC1 1473671378 DZGSFRRCARLBEB-QGZVFWFLSA-N 410.518 1.816 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ncc(C(=O)OC)s2)c1 1475413543 CKAJXTSCEATVHA-LLVKDONJSA-N 409.489 1.885 30 10 HDEE C#CCN(C(=O)N[C@H]1CCc2nnnn2CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1478844077 OROOLGAEFNXIOY-HNNXBMFYSA-N 417.514 1.422 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21)[C@H]1CCS(=O)(=O)C1 1479078927 JEVXCCGILVCVEF-WGHIXYSZSA-N 423.332 1.919 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1499657489 AERBUZMPSKSXHF-NHWLHPCLSA-N 402.499 1.933 30 10 HDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCO 1503667219 OCWRJFFZAPHEDF-UHFFFAOYSA-N 407.478 1.981 30 10 HDEE COC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1504587717 GIJKAZAMPXGUBS-OALUTQOASA-N 423.477 1.521 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1504597748 KRRJRAVAMNJREL-SJORKVTESA-N 413.457 1.357 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1507518408 LPNAYLSWESGQEK-XMSQKQJNSA-N 419.570 1.887 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NCCC 1507534760 RGWZCKQGLZYNOA-CQSZACIVSA-N 407.478 1.968 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1507592836 UPPLYFIEDCBNJP-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507594189 ZMYIOAJXYYXXMP-OAQYLSRUSA-N 400.527 1.115 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507612688 YXALFSDTFWVCOC-MRXNPFEDSA-N 403.508 1.447 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1507784109 IFLJOBHSGRLCIK-ZDUSSCGKSA-N 410.316 1.797 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1507836826 AXAKUNFBFUTLKY-QUSNUVHPSA-N 409.556 1.716 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508071086 AUAIXSWEIAZPKK-WMZOPIPTSA-N 410.522 1.929 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COCCO2)C1 1508111547 ZTNGCIBKGOCSPA-IRXDYDNUSA-N 407.515 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 1508127329 MGXOETAXJSPDCH-INIZCTEOSA-N 408.499 1.834 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1517093322 MFKGHHNZIUAXGA-UHFFFAOYSA-N 423.521 1.694 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1517601769 XUEAPHWPKDVFQI-QRTHJKPMSA-N 424.505 1.462 30 10 HDEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1)OC 1518728866 IPCNRLZMLMQMMQ-BZSNNMDCSA-N 407.515 1.794 30 10 HDEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1518870608 HAJIRLXPJRQBEA-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1Cc1ncn(C)n1 1519149853 CKUCDTIJXHDTGG-GOSISDBHSA-N 422.493 1.831 30 10 HDEE C#Cc1ccc([C@@H](OC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C(F)(F)F)cc1 1525856667 WIVDQRBPZFWRSS-OAHLLOKOSA-N 420.347 1.262 30 10 HDEE C=CCn1cc(CNC(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)nn1 1529544773 YRWPSUMGXGJOMG-CQSZACIVSA-N 400.508 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1538992581 UIZSKRMWBAZRHW-OAHLLOKOSA-N 421.509 1.541 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1539176932 WGKDBZNMNPQERD-OAHLLOKOSA-N 414.514 1.639 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1539215796 JIBKTRFMIGWTLR-HNNXBMFYSA-N 420.564 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCO[C@@H]1C 1539290324 DRVRXYFEXSOVGX-IERDGZPVSA-N 401.511 1.199 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)N(C)C)CC1 1539441466 POCVSLWZZFRYBE-UHFFFAOYSA-N 417.517 1.727 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539513390 NRYHUZMZAWBSLN-HXUWFJFHSA-N 400.552 1.941 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1539524591 JLUAMNIBVFIAFG-UHFFFAOYSA-N 402.568 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@H]21 1540865163 WZFFSJDJQPMFMZ-NVXWUHKLSA-N 415.519 1.640 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](C)[C@H]1C 1540874455 HKAKCUJXQDXCER-CVEARBPZSA-N 403.556 1.772 30 10 HDEE C=CCN(C(=O)c1ccc(I)cc1N)[C@@H]1CCS(=O)(=O)C1 1542216698 AHOBYZRLEDETFE-LLVKDONJSA-N 420.272 1.689 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)OC(C)(C)C 1544464044 DUTPPXDQBJJHTK-QGZVFWFLSA-N 415.490 1.653 30 10 HDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1546025900 WURAMFDYCPGLBA-IAGOWNOFSA-N 421.542 1.339 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1555492377 MTFAEDVYICPOIU-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1555523531 GCMKADALVMZIGK-UHFFFAOYSA-N 403.531 1.222 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCN2CCO[C@H]1C2 1556736159 YUYPVDYUDIUZCC-JUFCPRKZSA-N 418.538 1.705 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1557384542 QSVWPOGNFBUFJY-IBGZPJMESA-N 401.488 1.591 30 10 HDEE C[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1NC(=O)C(F)(F)F 1560029810 CWNZENOUVATTGH-DOMZBBRYSA-N 403.426 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)[C@@H](C#N)C1 1561338852 HKBWMKLTASYLIH-GJZGRUSLSA-N 423.491 1.601 30 10 HDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 1562429953 HMATXRGMUYBHEE-UHFFFAOYSA-N 411.384 1.779 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)NC)ccc2Br)cn1 1568547244 ZNSRRTWETBDGGJ-UHFFFAOYSA-N 411.281 1.117 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(C)c(C#N)cn1 1568729984 UXXNXJUOPBKMIF-INIZCTEOSA-N 402.451 1.886 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)cc1 1583866645 FWPPHYHTQCBDRR-CEXWTWQISA-N 418.515 1.792 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(CC#N)cc3)cc2S1(=O)=O 1584780309 ZKDHAYMDNPZLCY-UHFFFAOYSA-N 413.455 1.474 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1587632796 OVRVSQHDKVJJIB-YYWHXJBOSA-N 409.534 1.855 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1587909304 IKTXAKLQYUGHGF-AWEZNQCLSA-N 418.523 1.190 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1588006359 JUQLHKSGYKFWIS-UHFFFAOYSA-N 408.462 1.475 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1OCCC1(C)C 1588580958 AXHSNIPTZQOOAB-DYESRHJHSA-N 406.527 1.831 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)cc1 1588672984 JOQZVRHQUVAVGZ-UHFFFAOYSA-N 421.505 1.373 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588800511 JCDWFZDABNMLAB-ZWKOTPCHSA-N 411.506 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCNC(=O)C2CCC2)CC1 1588947674 SLMPTBAMJUENGX-UHFFFAOYSA-N 400.527 1.113 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O 1589259561 MTKGJKDAQWTNPN-JXXFODFXSA-N 423.583 1.738 30 10 HDEE C=C1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)NC)CC1 1594133884 GGXLHBNJYXPFRY-UHFFFAOYSA-N 409.487 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(C(C)C)CC1 1595812141 OEZMGSKBOIILJG-UHFFFAOYSA-N 418.567 1.395 30 10 HDEE CC(C)n1ncc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1I 1596810490 UHCLBOZJUNIQOB-GFCCVEGCSA-N 413.263 1.881 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3CCOC[C@]3(CO)C2)s1 1597554056 HXFYABRZMPMNMN-QGZVFWFLSA-N 417.984 1.744 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@H]1CCCOC1 1603346007 LZVUTCPTXZKGOY-HIFRSBDPSA-N 403.464 1.412 30 10 HDEE C[C@@H](C(=O)NCc1ccc(CC#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1611128955 VLCLRYUSDWYHIA-HNNXBMFYSA-N 400.479 1.837 30 10 HDEE N#C[C@]12CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1616336554 QBENCBBOBIKSFY-LKFCYVNXSA-N 414.237 1.368 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)c1 1618199810 ZZTVHUNQSGKAQZ-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE CN(OC1CCCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1618370917 FDRIEJHJYOKHNA-STGLLQLASA-N 416.482 1.619 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1Cl 1623340318 OBEUILBQJMTIDN-UHFFFAOYSA-N 409.855 1.441 30 10 HDEE C#CC[C@]1(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)CCCN1C(=O)OC(C)(C)C 1623549305 NEDSAHZTRXTUMS-IIBYNOLFSA-N 408.495 1.552 30 10 HDEE C=CCN(C(=O)Nc1cn(C)cc(Br)c1=O)[C@@H]1CCS(=O)(=O)C1 1623617881 NAWLIVLKQPGLEZ-SNVBAGLBSA-N 404.286 1.355 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)[C@H](C#N)C2(SC)CC2)C1=O 1624877653 ZXMRCVVPCGSJTI-DNVCBOLYSA-N 416.503 1.708 30 10 HDEE Cc1cc(C(=O)N[C@@]2(C#N)CCSC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1627706005 UEORVDIRPSXOJX-LJQANCHMSA-N 418.544 1.930 30 10 HDEE C=CCCn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 1629119362 DXCAFIQOQMPRIY-UHFFFAOYSA-N 403.508 1.959 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(F)cc2F)CC1)c1cc[nH]n1 1632119712 GDHSCBUWOMTDLL-UHFFFAOYSA-N 421.404 1.321 30 10 HDEE C#C[C@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)[C@@H]1CCCO1 1633397471 LSNHWQBNBCEGTA-BZSNNMDCSA-N 402.447 1.532 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCCNS(=O)(=O)c3ccc(F)cc3)CC2)C1 1636304189 IWOBPYMEVZIACF-UHFFFAOYSA-N 410.467 1.749 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)c1 1637374689 JSWKSZPCWKOMRI-MRXNPFEDSA-N 413.499 1.075 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)n1 1639590870 COTWVPVKZNCHGC-UHFFFAOYSA-N 417.466 1.847 30 10 HDEE COCCOCCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1640512293 YSVGKKWXYWCALR-UHFFFAOYSA-N 423.554 1.444 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1 1644590675 KFYKMMLXYUKHIM-UHFFFAOYSA-N 422.503 1.553 30 10 HDEE C[C@@H](CC(=O)N1CCC(Cc2ncon2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1645996356 HFEBHGISZOAZJJ-ZDUSSCGKSA-N 417.491 1.368 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2ccc(F)cc2Cl)cc1 1648007213 QIJZVKSYPQETHW-UHFFFAOYSA-N 409.826 1.628 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 1648778578 PYNJPNDKDLDXEE-GASCZTMLSA-N 409.508 1.936 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2nc(C#N)cs2)cc1OCC 1652904134 RISBMLFKOLKECL-UHFFFAOYSA-N 424.504 1.407 30 10 HDEE Cc1ccc(Nc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)nn1 1653759757 ISCMLRJTULGGDL-UHFFFAOYSA-N 403.402 1.360 30 10 HDEE N#Cc1c(NC(=O)CN2CCO[C@@H](Cn3ccnn3)C2)sc2c1CCCCC2 1654291244 OKKWSZIMCALFJR-CQSZACIVSA-N 400.508 1.820 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1654811820 OICTZMPQMZRYSK-UHFFFAOYSA-N 403.435 1.757 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1655457099 CSRRQJTUEJIDJX-UHFFFAOYSA-N 404.536 1.138 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 1667956093 IVUZVMYQOLYFLI-PBHICJAKSA-N 406.508 1.626 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1 1669965276 WOEBJJKHZHJGOK-SAZUREKKSA-N 411.462 1.493 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1COc2cccc(Br)c2C1 1670882077 BZBQNVKELCNNBU-LLVKDONJSA-N 403.298 1.653 30 10 HDEE COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)cc1C#N 1673850108 FGMXAAOVMHJLON-IBGZPJMESA-N 409.490 1.977 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1675023736 UFJPJELIIGXGPT-UHFFFAOYSA-N 411.441 1.836 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(OC)c1OC 1677966434 DOAQRQPUVGGZTA-JXFKEZNVSA-N 419.503 1.512 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 1682128179 UDOODHZASNLBLU-NVXWUHKLSA-N 419.323 1.951 30 10 HDEE C#CCN(C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1684196482 JUGWPUSQYUKCFE-PMACEKPBSA-N 420.531 1.714 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1684572222 GOYWHEBLWKBCQM-OBZJAWTPSA-N 411.430 1.375 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN(C)S(=O)(=O)CC 1689954419 YUFMQZUWGRNJGM-UHFFFAOYSA-N 410.931 1.735 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCN(C)C1 1690040608 IVDSBDSWEFDCTQ-JOCHJYFZSA-N 407.474 1.203 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1690077141 JNASIQQHHHOFLU-HNNXBMFYSA-N 406.483 1.836 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCOCC1 1690190237 PESSMZKWXCEGHU-DNVCBOLYSA-N 409.556 1.697 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1690202898 JQLDTUSUKYLXAL-XMSQKQJNSA-N 410.570 1.697 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1690668897 MYRNDKQMEYWKHV-OAHLLOKOSA-N 421.505 1.691 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccco2)C1 1690699866 KHSVJJIVTGXHAP-CVEARBPZSA-N 401.467 1.586 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCC(C)(C#N)CC1 1696496870 OBNNBYCRYODBIR-UHFFFAOYSA-N 405.528 1.733 30 10 HDEE CN(C)c1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1696608616 SIGRENPJLWUXSX-IBGZPJMESA-N 406.494 1.716 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1=O 1698074659 DLQWXXBXLRKDDC-AEFFLSMTSA-N 424.505 1.537 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1705537717 OMWPMONTVGQWGI-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1705569579 IHPZDJMMARITLZ-HNNXBMFYSA-N 418.523 1.045 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccccn1 1705576382 KBKKPCMOKZYSGE-UHFFFAOYSA-N 409.457 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(C)C 1705598284 GBCNDHJWTVAKAE-GOSISDBHSA-N 405.568 1.373 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N(C)C)CC1 1705647368 CSRZNDBECFIVSB-SJLPKXTDSA-N 402.543 1.436 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)CCOC 1705669776 WKMVFCJANVVYLM-HKBOAZHASA-N 406.527 1.710 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705729254 QLHIZQRZXXMXEP-FIKGOQFSSA-N 421.542 1.782 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705785768 VTMYQCDHPROCEY-CNTRQJEFSA-N 406.527 1.944 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705807030 RKCCKBIALPUIDM-MRXNPFEDSA-N 412.498 1.172 30 10 HDEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705815662 FOVSDLSAZKJTSR-HNNXBMFYSA-N 410.478 1.067 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705832112 NDVAHZGCBYFRCJ-CQSZACIVSA-N 417.432 1.761 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705899728 FEEXNLJJRIUBDZ-JOCHJYFZSA-N 422.464 1.879 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1705904065 DPZZJZHBXBWZSP-UHFFFAOYSA-N 415.542 1.788 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705939118 AAZAPFGSIAOGSX-HOTGVXAUSA-N 409.556 1.720 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705947354 IRTZRPHXHHOQIA-INIZCTEOSA-N 407.565 1.806 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1=O 1710258557 FQZQFYNHGYERPS-QGZVFWFLSA-N 407.478 1.154 30 10 HDEE CON(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1712657206 DTSDRFIUZVNJLW-SFHVURJKSA-N 411.510 1.757 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2)nnc1N1CCCOCC1 1712913205 XMGHWMKJOFVSKD-ZZEZOPTASA-N 408.462 1.698 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722320457 ZBKSETONOIOSJS-SFHVURJKSA-N 423.521 1.406 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1722324544 UHAQMJCDWICNRI-NEPJUHHUSA-N 409.434 1.069 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1C 1722397493 QVPOFCGREYCRLN-OKZBNKHCSA-N 404.536 1.316 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1722404389 BHIJMWQWHRDRQQ-QGZVFWFLSA-N 405.300 1.974 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1722432174 VBIFGNYTYBABGV-UHFFFAOYSA-N 415.563 1.750 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722446576 DTCOONFZDVQOFF-MRXNPFEDSA-N 415.460 1.895 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1722525620 FNDUIIXEXKOFRZ-WMZOPIPTSA-N 418.542 1.962 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722599611 YJTQGLCNZQYFPS-MRXNPFEDSA-N 401.515 1.426 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccco2)C1 1722728844 YZABXNKFGPZCPL-CABCVRRESA-N 419.507 1.417 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCOCC1 1722909384 JBCMQIZGXNAHNA-IBGZPJMESA-N 415.586 1.865 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1727925081 CHMCBXSSXSRFGV-RDJZCZTQSA-N 415.542 1.912 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1cn[nH]c1 1729526958 UXQISIWNCYHYMF-UHFFFAOYSA-N 413.507 1.653 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1740592207 ZIHRSMNFSPVMFE-UHFFFAOYSA-N 411.535 1.646 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COCCO1 1740676258 XPMXBKKREKKJEE-GOSISDBHSA-N 415.469 1.611 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1740734775 NQQYWWNARNLMIT-OAQYLSRUSA-N 402.462 1.898 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1740958478 BHSGSVCPTDPQJO-UHFFFAOYSA-N 423.565 1.716 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1740996088 FZMMILIOCMYNRM-UONOGXRCSA-N 417.601 1.811 30 10 HDEE CC(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1741534611 LJVNQWVZIJUBAO-HNNXBMFYSA-N 416.482 1.797 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCCO1 1743243740 DHKWCNCCDNPUHY-INIZCTEOSA-N 424.505 1.714 30 10 HDEE CCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1746449096 RJTKEFVBFPTGLQ-UDJKBAMHSA-N 413.526 1.602 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1748046734 CUPSOCROBUKXHU-WOJBJXKFSA-N 416.432 1.916 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCOC 1748655700 DSUNIYDERTWMQH-QRWLVFNGSA-N 410.482 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1748665885 WOSORVBLZXPCNK-AWEZNQCLSA-N 404.540 1.857 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1748816223 XWMOGZHYYNWQJG-OAHLLOKOSA-N 403.508 1.689 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1748824347 OLLBEGBEIWRKMZ-BZSNNMDCSA-N 424.567 1.819 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)c2cccc(OC)c2)CC1 1748973029 VLFJLJGYLRVEJQ-GOSISDBHSA-N 424.549 1.985 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCCCO)CC1 1748984356 KRTHKCFTEPWIJJ-UHFFFAOYSA-N 420.517 1.648 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(CN(C)C)c2)CC1 1748987294 SKFBXCBIZVXIFP-UHFFFAOYSA-N 418.549 1.544 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(Cn3ccnc3)c2)CC1 1749004343 GORIIIRIXMHTIT-UHFFFAOYSA-N 417.517 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCOCC)CC1 1749009990 YWPRRZGSQZLKSK-UHFFFAOYSA-N 411.510 1.518 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CC)CC1 1749286732 QBFZPGQXQUGUBZ-SJORKVTESA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1749671865 LSGGRQXSWPROIF-UHFFFAOYSA-N 402.474 1.617 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749738596 RIOCQRIPSJVGFG-OAHLLOKOSA-N 409.556 1.279 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCSCCCO)CCO1 1750388837 TWOLLBOYMQLNLB-OAHLLOKOSA-N 421.498 1.841 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1751095247 BJXIKIBLBDNFBL-WBVHZDCISA-N 402.524 1.970 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1752270775 GRLBJNBFMPHRPZ-INIZCTEOSA-N 404.478 1.770 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1760099322 DWYZPTLUAKNKMF-MGPUTAFESA-N 403.483 1.959 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(C)CN(C)C2=O)c1 1760126576 CNLXOTXGFCHROU-JOCHJYFZSA-N 408.506 1.936 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2Cc2nnn(C)n2)c1 1760127332 WODMIODMEQBNRS-CQSZACIVSA-N 407.482 1.420 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCC(=O)N2CCOCC2)c1 1760128897 VXSKXJYHUXRIJY-UHFFFAOYSA-N 424.505 1.146 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1760186074 KEOUCSLBFQXYKS-INIZCTEOSA-N 403.508 1.309 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760190928 WWIPGGPNKXGQMG-SJLPKXTDSA-N 408.568 1.920 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1760191029 ZPGSIVGHFVVJBK-SFHVURJKSA-N 416.551 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1cnnn1C 1760198627 GDXNEHXJSFWUAR-UHFFFAOYSA-N 419.489 1.991 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760206043 PNDKZZIOHYTRIB-RBUKOAKNSA-N 403.486 1.908 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1760206090 QRXLVSYOWMSDFP-MRXNPFEDSA-N 417.560 1.569 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)c(O)c2)CC1 1760258395 VIFBLSAOSRBAPM-UHFFFAOYSA-N 404.474 1.858 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2OCCC2(C)C)CC1 1760264674 BLRGWJSNYAHWIC-OTWHNJEPSA-N 417.554 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)N(C)C2CCCCC2)CC1 1760269619 AABXDKYUVSGATK-UHFFFAOYSA-N 414.554 1.597 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760312280 RVCKLTATJZOLQS-HIFRSBDPSA-N 414.348 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(C)C)CC1 1760516955 YRLQREPNOANFIR-AWEZNQCLSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC)C1 1760522169 MWDUVHNIJLKDDG-QAPCUYQASA-N 413.478 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC(C)(C)C1 1760556007 SELVFKXZBBHXSC-ZDUSSCGKSA-N 413.569 1.162 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccn(C)n2)CCOC1 1761282312 AOQZGDXKCZZHGT-RTBURBONSA-N 403.462 1.542 30 10 HDEE CCCN1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1=O 1764469217 NDTMCKSPOBDPHT-UHFFFAOYSA-N 408.466 1.640 30 10 HDEE CN(C)C(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1766889459 BQKKTXZDWZYXCF-NRFANRHFSA-N 406.494 1.735 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1768285752 KOSJXHYRSOAUTJ-QGZVFWFLSA-N 424.571 1.632 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)CCO1 1769241046 HFRMCFTVEPZDPQ-SFHVURJKSA-N 424.505 1.727 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CCO1 1771537782 VJZHSGMHRVWIAH-HUUCEWRRSA-N 407.521 1.213 30 10 HDEE CC(C)(C)OC(=O)N1CS(=O)(=O)CC[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772794784 WWZFFCJMPVJXPW-ZDUSSCGKSA-N 424.431 1.123 30 10 HDEE C=CCN1C[C@H](C(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)CC1=O 1850959040 GFVHLNFVAHKHKP-KZULUSFZSA-N 409.280 1.988 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3ncc(Br)cc3C#N)CC2=O)CC1 1851136735 BIARWBDMBHLNQH-LBPRGKRZSA-N 406.284 1.597 30 10 HDEE N#Cc1cn(CC(=O)O[C@H]2C(=Cc3ccccc3F)N3CCC2CC3)c(=O)nc1O 1851826024 KFVOWHNHKAZFEQ-LJQANCHMSA-N 410.405 1.638 30 10 HDEE C#CC[C@H](F)C(=O)Nc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n[nH]1 1852594797 GMTYDRKLXQLPPS-AWEZNQCLSA-N 400.414 1.156 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1853729490 QQGDUNUURPDFCJ-HOTGVXAUSA-N 401.463 1.114 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1CC(=O)c1ccc2c(c1)OCO2 1854236666 OVXWTAUHOHFNSZ-CQSZACIVSA-N 405.410 1.843 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(C)CCOc3ccccc3OC)C2=O)CC1=O 1854532475 LCSMSZUWOGEWGG-SJORKVTESA-N 415.490 1.168 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@H]1C 1854821957 WHVQHKMBPJHNIN-MJGOQNOKSA-N 419.547 1.784 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CC(C(=O)N4CCCC4)C3)C2=O)cc1 1854851399 XJUMBDAJNJCOOE-FQEVSTJZSA-N 408.502 1.563 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)c4ccccc4S3)C(=O)C2)C1 1855028411 XVPJKOMQVVNJHT-HNAYVOBHSA-N 412.515 1.392 30 10 HDEE Cc1nnc(CN2CCC([C@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)n1C 1856056288 ARCKANKLODATQH-IBGZPJMESA-N 406.490 1.896 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)CCC1=O 1856140654 XPVVLBAUTMSPLG-CYBMUJFWSA-N 409.895 1.477 30 10 HDEE CN(C1CCC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnc(C#N)c1 1856765044 CPBJETGRNWYHQU-UHFFFAOYSA-N 410.455 1.856 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)Cc2ccc(F)cc2Br)CO1 1856870857 KBAQCXBKMOLRGI-LLVKDONJSA-N 407.217 1.143 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857026753 PMOLSEVBECYRIK-SFHVURJKSA-N 403.504 1.858 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccccc3F)C2)CC1 1857042380 XEYDTXZECYSJPB-MRXNPFEDSA-N 407.467 1.309 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nc3ccccc3o2)C1)[C@H]1CCN(C)C1=O 1857063142 XFSMGHPQHULJFL-RDJZCZTQSA-N 410.474 1.925 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)c1 1857144409 INQSBYDSYZHZCW-QGZVFWFLSA-N 400.479 1.366 30 10 HDEE C[C@H]1CC(=O)N(C(=O)c2cncc(F)c2)c2ccccc2N1S(=O)(=O)CC#N 1857460211 YYDQQAXBQLNJMH-LBPRGKRZSA-N 402.407 1.846 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861267642 AMLUDCWWIFIWGY-ZWKOTPCHSA-N 415.877 1.428 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871702743 RLVOXCDLAPNUBX-UHFFFAOYSA-N 407.482 1.062 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889092727 TWPGBUKNKIHHPC-PMACEKPBSA-N 401.532 1.524 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)c1 1890153507 XKTRYVLSEWXQBU-UHFFFAOYSA-N 407.455 1.498 30 10 HDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)CC1 1891650356 BWJGSHRSDWWJBP-UHFFFAOYSA-N 400.460 1.763 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@]12C[C@@H](CO1)N(C(=O)OC(C)(C)C)C2 1982284249 YOPMWAFURNZXKQ-SMDDNHRTSA-N 411.318 1.593 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)c(N)c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c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247287893 RUPASPGJXMUHQG-HOTGVXAUSA-N 419.331 1.845 30 10 HDEE C[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247834461 WFGRZSFHDVJUBV-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255665485 GWFNMMCZYOATSU-VQIMIIECSA-N 424.354 1.970 30 10 HDEE Cn1ncc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1B1OC(C)(C)C(C)(C)O1 2255824723 NIPBQBFQHXGPLJ-BWTSREIZSA-N 422.338 1.580 30 10 HDEE Cc1nc(S(=O)(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c(Br)n1C 2260797393 QPAYBIDCWJFGFC-BQYQJAHWSA-N 420.138 1.957 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269027299 XVYVHYPNCGWCJV-SECBINFHSA-N 407.706 1.618 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282320859 OFWJCLIFAMEUEH-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE C[C@@H]1CC[C@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332912 IDGDPNODHZMXEL-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE COC[C@@H]1C[C@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338490 RKDHONMIQXYJTI-STQMWFEESA-N 401.359 1.950 30 10 HDEE C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489523 DNIBYNAHSGPIEE-GXTWGEPZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(O)(C4CC4)C3)cc2Cl)OC1(C)C 2282845404 RXPXNMDEBOUYPJ-UHFFFAOYSA-N 419.761 1.846 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282846734 NRTNJYPGSGFFPE-RUZDIDTESA-N 401.359 1.174 30 10 HDEE C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877882 YGKHDEXYNLGEAJ-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H]2CCN)OC1(C)C 2282882457 LXKLYEQKDVZIHY-CYBMUJFWSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@H]2C(=O)O)OC1(C)C 2284397239 KFMQBBIYFLKZAE-GFCCVEGCSA-N 401.677 1.487 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363694674 PHYWIHSWFDPGBR-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CC2 2365203965 WFXULCVVMRIUHQ-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#Cc1cnn(CCOC)c1)C1(O)CN(C(=O)OCc2ccccc2)C1 2366098154 CECMYMQDTWIDJJ-HXUWFJFHSA-N 412.490 1.243 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 2367833547 KKDQVGYEBBUSOO-DAYGRLMNSA-N 402.557 1.599 30 10 HDEE CCc1nc(SCC(=O)NCCc2ccc(OC)c(OC)c2)[nH]c(=O)c1C#N 5238900 WVFJJSMRPCFKQP-UHFFFAOYSA-N 402.476 1.672 30 10 HDEE C[C@@H](Oc1c(N)cc(C#N)cc1I)C(=O)N1CCOCC1 43415308 QFTNYVSPXRVRKE-SECBINFHSA-N 401.204 1.371 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#CCOc2cccnc2)cc1 90734207 DOTKVNBTUGWARC-UHFFFAOYSA-N 401.488 1.924 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@@H](O)C(F)(F)F)CC2)cc1 410058583 LRVSXFCXDOENOB-OAHLLOKOSA-N 419.425 1.388 30 10 HDEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427334414 JAMSZBOZBHSHIV-SFHVURJKSA-N 400.460 1.980 30 10 HDEE CS(=O)(=O)C1(CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCC1 432425094 KYQSKIDWESJGPH-UHFFFAOYSA-N 407.883 2.486 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)NCC3CC3)ccc2C)CC1 439666717 PNMGPWDYDVEEDM-UHFFFAOYSA-N 413.522 1.587 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)OC)c2OC(C)C)CC1 439802063 AMTVWEQEUYFJOQ-UHFFFAOYSA-N 418.494 1.712 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460812126 WOZAVBIDGIKKCQ-LJQANCHMSA-N 412.538 1.975 30 10 HDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1=O 461369634 HPDJXANNGIHHBE-GOSISDBHSA-N 424.505 1.824 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 481008722 ZPQPELSWLMKSTB-HNNXBMFYSA-N 424.486 1.993 30 10 HDEE Cc1ncc(S(=O)(=O)NCCNC(=O)c2ccc(Br)cc2)cc1C#N 489095766 BVGGVEAUMUJRFC-UHFFFAOYSA-N 423.292 1.733 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 508497051 IPTNTBILONXABX-HNNXBMFYSA-N 422.580 1.453 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 511141387 WGVWEUBNENXTLK-QWHCGFSZSA-N 410.565 1.791 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@](C)(CO)c1ccc(Br)cc1 511303236 CLRNEHXODPNOGG-HNNXBMFYSA-N 420.329 1.353 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)NC3CCCCC3)CC2)c1 513786684 LIFHTPCDSQMMJD-UHFFFAOYSA-N 418.563 1.398 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H]1n1cccn1 518248685 YXZHVWVFUIIXRZ-GGPKGHCWSA-N 407.478 1.882 30 10 HDEE C[C@]1(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)NC(=O)NC1=O 522354492 VCJHUTOISGOUGQ-GOSISDBHSA-N 418.862 1.745 30 10 HDEE Cc1cnc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 525259512 SBBDRJSJAZNBST-UHFFFAOYSA-N 405.505 1.539 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546214907 WCEJJVRGDGMTNR-UHFFFAOYSA-N 422.489 1.181 30 10 HDEE C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(N)(=O)=O)c1 546880395 RXRSCHPTSYFAFT-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cc2cccc(C#N)c2)CC3)CC1 550093906 TYRKSIFGGACJMU-LJQANCHMSA-N 420.517 1.064 30 10 HDEE Cc1cc(C#N)nc(N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 552999190 WTCZFTNUZTYAPQ-UHFFFAOYSA-N 415.475 1.329 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 573845687 NNOYYOYBVKVFHM-JKSUJKDBSA-N 417.539 1.261 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1scnc1C 576150674 GXYABSKKFHDEMW-CQSZACIVSA-N 411.553 1.784 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 577532153 AFGPZGWKNNQTQG-CYBMUJFWSA-N 411.480 1.733 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 669817818 SGKJWMUXNVHKFM-IUODEOHRSA-N 408.532 1.124 30 10 HDEE CCN(CC)C(=O)C1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726590311 WYQGUUUJQRRPJG-UHFFFAOYSA-N 411.506 1.860 30 10 HDEE C#CCN(C(=O)CSc1nncn1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 729331833 HVBCULOJAKMCAT-INIZCTEOSA-N 404.517 1.317 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC 729671541 KUTVWOKTWCIHJQ-CQSZACIVSA-N 410.499 1.322 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 732465473 FVHVBZWJTOIRNW-VXPUYCOJSA-N 409.446 1.637 30 10 HDEE CC(C)CCS(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733856342 DIZKSRVFOKXZNS-OAHLLOKOSA-N 406.464 1.255 30 10 HDEE Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 735765928 WOHRNCPWCYXEBX-GOSISDBHSA-N 410.459 1.283 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1N1CCNC1=O 744145021 LKZPYDBNZAWXQY-UHFFFAOYSA-N 414.443 1.524 30 10 HDEE C#CCN(C(=O)c1cc(O)nc2c(Br)cccc12)[C@H]1CCS(=O)(=O)C1 749920234 NUHOIIVDLGMGGE-NSHDSACASA-N 423.288 1.965 30 10 HDEE Cc1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1S(=O)(=O)NCC#N 768476496 RYFTYXJVRKIRIU-MRXNPFEDSA-N 401.444 1.865 30 10 HDEE C#CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@H]1CCS(=O)(=O)C1 774047634 VKNPLYLGKDJKNX-KRWDZBQOSA-N 417.462 1.690 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@H]1CCCO1 775338077 ARCCUGVWHSWCEH-PKOBYXMFSA-N 405.520 1.448 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 776530083 FCZIWROIWLOHFL-YSHGAJCASA-N 406.504 1.443 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCCC1 779312906 IOIWUKRLFMNADK-GFCCVEGCSA-N 411.430 1.848 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)COc2ccc(N3CCCC3=O)cc2)n1 788813453 GRSFCTYBJVOVGP-UHFFFAOYSA-N 410.474 1.697 30 10 HDEE C#CCN(C(=O)Nc1ccc(O[C@H]2CCN(C)C2=O)cc1C)[C@@H]1CCS(=O)(=O)C1 799240633 KYIJXBDMNCJYKS-QAPCUYQASA-N 419.503 1.259 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cc(F)c(F)cc1N1CCOCC1 804724065 DCBUCTJTSKNSAF-HNENSFHCSA-N 406.389 1.656 30 10 HDEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)NCC3(N4CCOCC4)CC3)c2)s1 807248991 IBSGYISGFALGFM-UHFFFAOYSA-N 424.526 1.884 30 10 HDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812135122 FJXIJLXEYVRKFQ-MRXNPFEDSA-N 408.911 1.872 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCc3ccccc3)[C@H](C)O)cc2C1=O 817229021 OZFOIBGWIHLITQ-LIRRHRJNSA-N 422.437 1.691 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NC3CC3)n[nH]2)c([N+](=O)[O-])cc1O 1084246580 CSBPAKZLKUYLFS-UHFFFAOYSA-N 407.412 1.244 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3ccc(C#N)c(C)n3)CC2)nc(C(C)C)n1 1115880946 UYCPPUOFBBPRHB-UHFFFAOYSA-N 422.489 1.989 30 10 HDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1131778997 WQQXZKLNDYJTNI-QGZVFWFLSA-N 415.471 1.741 30 10 HDEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1136036289 LIDXAYKHFDKIQY-UHFFFAOYSA-N 423.498 1.740 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1136632672 GRSVAYSRFBKVBI-VQIMIIECSA-N 423.435 1.452 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c1 1142387077 GBQOFSFOILSDIP-QGZVFWFLSA-N 412.533 1.190 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(n3nncc3I)CC2)cn1 1147390256 HUSOADHBUOPXIU-UHFFFAOYSA-N 408.203 1.627 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C(=O)N2CCN(C(=O)CC#N)CC2)(C(F)(F)F)C1 1150000731 NZMFXTUTPAQXJZ-KRWDZBQOSA-N 418.416 1.760 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)cc1 1156263201 OGUTZJGVBALBLW-KRWDZBQOSA-N 408.520 1.545 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2CC(F)(F)C[C@H]2C1 1163263533 KFTUGHRLCXOCRX-ZDUSSCGKSA-N 412.462 1.057 30 10 HDEE C=CCNC(=O)NC(=O)Cn1cnc2c(c(Br)nn2C(C)(C)C)c1=O 1166675125 PYJFKIYINXLBTF-UHFFFAOYSA-N 411.260 1.122 30 10 HDEE Cc1ccc(C(=O)NC[C@]23COCCN2C(=O)OC3)cc1B1OC(C)(C)C(C)(C)O1 1174568718 CIJPIOGOAWGIIJ-OAQYLSRUSA-N 416.283 1.245 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc(N(C)C)sc3C2)c1 1176705210 JJHNPMFFHREPNF-UHFFFAOYSA-N 406.533 1.872 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1286293149 MICAOFQIICFVQF-KGLIPLIRSA-N 400.449 1.961 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1286300433 UBQZLHCHKAKSRY-MRXNPFEDSA-N 424.530 1.678 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286349010 CKPRAALTMTYFCO-KRWDZBQOSA-N 411.510 1.711 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCN1CCCS1(=O)=O 1286364121 ZMGXVSCOPJHIHO-UHFFFAOYSA-N 413.547 1.853 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386302 YHBLANRCBZPWEZ-HNNXBMFYSA-N 409.556 1.191 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286399031 XBOZYOQNTIXEPR-GVDBMIGSSA-N 422.551 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(OCCOC)CCOCC1 1286439541 QNIHALKEQAGFIP-UHFFFAOYSA-N 424.505 1.410 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2COCCO2)CC1 1286473419 LRMOORLYKVHQKS-GOSISDBHSA-N 412.450 1.024 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NCCC)CC1 1286481901 YSDJUXCMZDIICI-IBGZPJMESA-N 424.505 1.072 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1286609180 YDHMDGNMAOPGIJ-INIZCTEOSA-N 420.539 1.242 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286674220 BLIROEHUCIFBMV-NRFANRHFSA-N 400.527 1.719 30 10 HDEE C[C@@H]1N(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1291319899 IIRBCDFSSUGTTF-JGWKNBOWSA-N 414.510 1.761 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(CCCF)CC1 1299829346 ACVNQWIXMZHHPL-UHFFFAOYSA-N 424.542 1.789 30 10 HDEE N#Cc1cccc2c1CN(C(=O)CNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1300168604 PGCZEVAMTZVMHY-UHFFFAOYSA-N 413.455 1.540 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1300408649 MOLLQBJVLQVFLV-SFHVURJKSA-N 406.490 1.804 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCC1 1300441158 FSFYGCXSULCTSU-UHFFFAOYSA-N 401.536 1.902 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCOCC1 1300673623 SJPPIAKQZYMGTR-UHFFFAOYSA-N 402.470 1.636 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@H]2OC)CC1 1300681881 DPNOPGNBFWAIRU-PKOBYXMFSA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CCOCC)CC1 1300754138 JWWIOIQZJXBBQX-UHFFFAOYSA-N 402.568 1.809 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300991805 RFLVETHHWJLNOG-GOSISDBHSA-N 416.570 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301569012 NRWFMNWQRRZZOT-QGZVFWFLSA-N 423.583 1.745 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)cc1 1303688981 AYDXADDJURZFRK-UHFFFAOYSA-N 414.549 1.484 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1303792944 RKBPYFGBXSTHHV-RXVVDRJESA-N 401.507 1.930 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1304910433 IJBNATWQVJCYIO-AEFFLSMTSA-N 424.505 1.822 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(C#N)CCOCC1 1305277197 WAPRMJMQVANGGO-MRXNPFEDSA-N 420.491 1.883 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1309460904 BTYLOLBLKJJMIA-LJQANCHMSA-N 415.446 1.979 30 10 HDEE C[C@H](Cc1ccccc1C(F)(F)F)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1312362985 BEPXKXCELVBLAQ-LLVKDONJSA-N 409.368 1.770 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316336017 IJWSZDWIVADBRF-ZDUSSCGKSA-N 422.898 1.299 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC[C@H]3CC(F)F)C2=O)cc1 1324375628 QOYSXOCESSCUCU-CABCVRRESA-N 406.389 1.646 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358956584 HZQMRHIDONRGGS-GQIGUUNPSA-N 420.535 1.919 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)CC1 1359028903 IQSMIUCTQNLRRC-UHFFFAOYSA-N 419.436 1.310 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC=CO2)CC1 1359029590 BKVKPZVCPXIMQG-KNQAVFIVSA-N 415.538 1.767 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnnn2C)CC1 1359038487 YDLGFDZXTFOSID-UHFFFAOYSA-N 404.522 1.385 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359056789 LMDGFXMKVSIWTC-HOTGVXAUSA-N 407.540 1.815 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1359130829 XDSVFSNDEIKNCU-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O)C1CC1 1359246383 AGLCCRWNFVPIRJ-AWEZNQCLSA-N 420.539 1.273 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359295457 BPFSOVXKPYILPZ-HXUWFJFHSA-N 419.533 1.986 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1359305286 YKKZLYASJKYJND-UHFFFAOYSA-N 416.457 1.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CN(C)C2=O)C1 1359312368 TZNBAWVTMBFHGB-HRAATJIYSA-N 418.542 1.456 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1359474189 OMKMXEIJKPIRBC-JSGCOSHPSA-N 408.915 1.873 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1438908221 MYKCFIGVVSNLRH-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE C[C@@H](C(=O)NCc1ccc(C(=O)NO)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 1448498637 BJFRFINYDTZDSA-CYBMUJFWSA-N 405.476 1.476 30 10 HDEE C[C@H](c1ccccc1)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(N)=O 1450420565 JJCCNRFEHUPHGW-SJKOYZFVSA-N 403.435 1.510 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455167181 OZNGGRZCADHCFN-CQSZACIVSA-N 417.491 1.720 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)c1 1456853328 JIQVGLPNJQETLW-HNNXBMFYSA-N 416.459 1.080 30 10 HDEE C#CCOCCN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1457393687 KIGNGDYHOJFPIQ-HNNXBMFYSA-N 409.464 1.104 30 10 HDEE Cn1c(=O)[nH]c(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)c(C#N)c1=O 1458194810 BSIJIIHEVGJTPL-UHFFFAOYSA-N 407.474 1.353 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(CN2CCNC2=O)CC1 1463088693 KWJPEYWZPHSUNL-UHFFFAOYSA-N 409.494 1.414 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cnn(C)c1I 1464042377 MMVSCNJZGNEWGB-UHFFFAOYSA-N 412.297 1.153 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1464180168 NZBSIZDGUQUOPM-LBPRGKRZSA-N 406.298 1.791 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2cncs2)C(=O)OC)c1 1464429908 NPLACGASWKVUDV-OAHLLOKOSA-N 409.489 1.122 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(N3CCOCC3)CCSC2)c1 1464444351 RGGSFLAHEAIRCF-FQEVSTJZSA-N 422.572 1.421 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)CCC)c1 1464679899 UAWPHXMKGJVOSW-QGZVFWFLSA-N 408.545 1.867 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1471602375 PXROMKIUUJQOIA-XQBPLPMBSA-N 424.526 1.988 30 10 HDEE CC(C)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1472370796 RACCIYCTMWDISW-UHFFFAOYSA-N 417.263 1.944 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1472438676 PBMNVZVQDPLTBL-UHFFFAOYSA-N 400.884 1.083 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCO[C@H]3C=C)nnc12 1472563745 PTZOFBKKUWERBC-ZBFHGGJFSA-N 411.487 1.782 30 10 HDEE C#CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@H]1CCOc2ccc(Br)cc21 1472696589 MMXNNWSRXLJUCK-AWEZNQCLSA-N 415.247 1.671 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1473617838 DBOSZKMPLTXHFD-PXNSSMCTSA-N 421.567 1.082 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)C2)nc1 1479113586 YAKRZJNPLLLYFI-UONOGXRCSA-N 408.388 1.934 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1504522104 DFWRGBCIKJHWNC-ZWKOTPCHSA-N 415.519 1.437 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ncn(C)n1 1507522168 UFDFNEJGBAJBKF-CYBMUJFWSA-N 411.466 1.606 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1507682244 KZTIWHYCQJJLEL-UHFFFAOYSA-N 401.492 1.337 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1507711243 RQWJAZYWTKKIKW-OAHLLOKOSA-N 423.926 1.363 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507745006 YVPOWHIJUWWCCL-UHFFFAOYSA-N 420.583 1.477 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)NC)CC1 1507754261 MKXVYXCSQBGREV-QGZVFWFLSA-N 405.568 1.891 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1508005403 WNCORMMODSEHBI-KRWDZBQOSA-N 417.535 1.857 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1508062137 PXQCQCRPCPUASO-UHFFFAOYSA-N 411.466 1.821 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1508091800 WOUCINZCXNLYEV-CABCVRRESA-N 418.523 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508131807 QGQHBTRGCXQYCJ-ZACQAIPSSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1508132253 WFODWQVWEUIWPJ-BZUAXINKSA-N 409.556 1.640 30 10 HDEE CN(C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1516986819 FJJBYTDEYJGRPC-HNNXBMFYSA-N 410.482 1.138 30 10 HDEE C=CCCOCCNC(=O)c1ccc(I)cc1-n1cnnn1 1521490619 YGQIAXRHXGHLBI-UHFFFAOYSA-N 413.219 1.589 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C(C)C)[C@H]2CCN(Cc3ccccc3)C2)C1=O 1529570386 AQCZOBSXUNRZPZ-SFHVURJKSA-N 412.490 1.475 30 10 HDEE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536419734 XONDJXJMEWHVTA-JKSUJKDBSA-N 411.462 1.136 30 10 HDEE N#Cc1c(NC(=O)c2cc(Br)cn(C3CC3)c2=O)nc2n1CCOC2 1537680199 TWJGXVAQPQUVDV-UHFFFAOYSA-N 404.224 1.796 30 10 HDEE N#C[C@H]1CN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CCN1Cc1ccccc1 1537881486 GQPAIVSQFPPESQ-SFHVURJKSA-N 402.520 1.181 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1538974607 UFKIOTKBYOYNDY-NWDGAFQWSA-N 419.536 1.399 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539115632 AIPYAMSLHBJSEG-DLBZAZTESA-N 400.527 1.775 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1539148575 QHZKUYPNYMZVNI-NRFANRHFSA-N 405.543 1.499 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1539239783 QVRZSYTVZGVEJT-OALUTQOASA-N 418.501 1.881 30 10 HDEE Cn1nc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C(F)(F)F 1539372739 ZSXLUVVYLNSLTF-UHFFFAOYSA-N 415.397 1.561 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CC(=O)N(C)C 1539406372 ZHEIAGOPJLBZNR-UHFFFAOYSA-N 420.311 1.882 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(C)(C)O)CC1 1539454546 RVJLEZADNRWVMK-UHFFFAOYSA-N 411.550 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCS(C)(=O)=O 1539563800 PUCTTZVVQPJAPT-HXUWFJFHSA-N 402.520 1.936 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1539701254 BZUVZUIYWUAFNU-MRXNPFEDSA-N 401.540 1.892 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539752079 BCJNLLZNRCYVJQ-AEFFLSMTSA-N 412.494 1.791 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540171961 LACUGLNJLIRYFR-FQEVSTJZSA-N 420.510 1.736 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1540871850 VLRSFRCIZXHXPJ-HKUYNNGSSA-N 411.506 1.971 30 10 HDEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)COc1ccc(C#N)c(Br)c1 1544160362 LZLJAXWIFKXLMI-CXAGYDPISA-N 411.252 1.879 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1544755380 LMXLSBPOPBKCQJ-IAGOWNOFSA-N 424.505 1.679 30 10 HDEE C#CCN(C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 1545062426 HMPMAVRMNHNSMZ-TWOQFEAHSA-N 410.536 1.815 30 10 HDEE COC[C@H](Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1555252742 CDBNJEKPGDIGMG-HOCLYGCPSA-N 412.498 1.194 30 10 HDEE N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCc2ccccc2C1 1556242946 CBZYQDDQOZLMJP-NRFANRHFSA-N 411.483 1.563 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCSC3)C2)s1 1557146559 ZLZVXGVLBXHWPX-INIZCTEOSA-N 402.563 1.489 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccc3Cl)on2)CC1 1558073424 RWUNUMSDKUKJJZ-UHFFFAOYSA-N 408.867 1.220 30 10 HDEE CCN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)CCn1cc(C#N)c(O)nc1=O 1565899378 GSOSXACMNQGCMP-GOSISDBHSA-N 409.490 1.581 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1566409721 KUDVBRUEWDHBBT-CABCVRRESA-N 415.556 1.634 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOCC3(CCOCC3)C2)s1 1567493243 OMRNQKOOTOFOTG-UHFFFAOYSA-N 414.549 1.411 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCCC2)C1 1584140838 HCOBBSSUEXMQNP-QGZVFWFLSA-N 404.536 1.446 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OCC2CC2)c1 1587909305 IKTXAKLQYUGHGF-CQSZACIVSA-N 418.523 1.190 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN1CCCO 1587921673 FPMSOUUJOIDKQF-GHTZIAJQSA-N 405.543 1.235 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)CC=C 1588144129 UUWKYRPWXTVQBJ-UHFFFAOYSA-N 418.469 1.821 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1588228761 LPZBIFHGBKZVBJ-MRXNPFEDSA-N 417.560 1.651 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1588413385 UPOTWOKMIUPSHH-UHFFFAOYSA-N 417.535 1.373 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)N(C)C)CC1 1588849001 UPPMWYQCBUWEDZ-SFHVURJKSA-N 406.538 1.222 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)OC(C)(C)C)CC1 1588877157 XIMYGZSFGWFVKK-QGZVFWFLSA-N 418.542 1.800 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCC(=O)N(C)C)CC1 1588913899 SULAUZRAMWWNSM-UHFFFAOYSA-N 423.521 1.174 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CC1 1589216657 ULKHFJQMWIZDGU-FXAWDEMLSA-N 406.552 1.989 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2O)C1 1589646127 FQFGKFXGTYFFSF-UHFFFAOYSA-N 404.419 1.999 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594727276 NLYPHZCALQDYAH-GOSISDBHSA-N 418.542 1.713 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1594807688 WQQPWMKRYHYGQK-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1595664514 FUZPXJRYMUGAEO-KSZLIROESA-N 419.526 1.347 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC(C)(C)C2)C1 1595722966 PJPVNMRIZCJCHV-ROUUACIJSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595811994 JVDWYPOTWLORCM-KRWDZBQOSA-N 404.540 1.008 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1595866250 DIOQMKNIBQNSGD-UHFFFAOYSA-N 403.512 1.677 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(O)Cc1ccccc1Cl 1611650785 KJEDKSXICJOAQV-NSHDSACASA-N 400.888 1.775 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CCN1CCOC 1614215660 ABAKBUXYEFRJBG-IBGZPJMESA-N 410.522 1.889 30 10 HDEE CC1=NNC(=O)[C@H]1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1615962613 FTXCFEYVWJDFFZ-AWEZNQCLSA-N 404.268 1.385 30 10 HDEE N#Cc1cccc2c1CN(CC(=O)NCc1ccc(C(=O)N3CCOCC3)cc1)C2 1619411280 ZESWYGLPRNDNCZ-UHFFFAOYSA-N 404.470 1.663 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1 1619911650 BOYLLRLKDJOBTA-QGZVFWFLSA-N 417.558 1.860 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC)c2ccc(Br)cc2)CC1 1623499170 SFUUSTVFZBOPNA-QGZVFWFLSA-N 406.324 1.836 30 10 HDEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[S@@](=O)C1 1625221157 QKHYPFWWPUAMND-OIRASMEMSA-N 410.337 1.984 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)(C)O)C[C@H]2C)s1 1625327724 CXDCWGPZXOUPGZ-CQSZACIVSA-N 415.581 1.059 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)[nH]2)cc1 1626285533 NUASBDSQLQXRAS-QJOMJCCJSA-N 417.491 1.959 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3ccnn3)cc2)s1 1626492980 XOUALRAUFBKIPH-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCC(=O)N=c1cc[nH]cc1 1627898651 PETNBPLZXMRUKL-INIZCTEOSA-N 403.483 1.926 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1628374928 DBVGXIKEHKBAJL-KRWDZBQOSA-N 408.543 1.516 30 10 HDEE O=C(C#CC1CC1)N1CCN(C(=O)c2ccccc2I)CC1 1630739034 YUIYWZZYKGWKKG-UHFFFAOYSA-N 408.239 1.989 30 10 HDEE CNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1631138365 NCCKIZVTCKYQEN-HNNXBMFYSA-N 408.329 1.058 30 10 HDEE CCOC(=O)CCN(Cc1cccnc1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1631169254 YYGPFFILAGSBAD-FMQUCBEESA-N 400.435 1.280 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(c2ccc(C#N)cc2)CCC1 1631228469 XLBGAHABXQUVRS-HXUWFJFHSA-N 410.474 1.669 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 1632219553 YSRBCMZQPHXKAB-LJQANCHMSA-N 401.488 1.456 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O 1632228012 JUAUJOPPLPWBFY-UHFFFAOYSA-N 401.394 1.291 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(c3cnc4ccccc4n3)C2)c1 1633605478 RMYNFRQQLSGDKV-UHFFFAOYSA-N 406.467 1.781 30 10 HDEE C[C@H](O)C[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633711178 UVYPKDORGHWLFI-AOSSAHENSA-N 407.511 1.772 30 10 HDEE C#Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)nc1 1634314201 ILGPVPZLKKTETA-UHFFFAOYSA-N 405.439 1.857 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)c1 1637799711 ZCAXSZABMVUHRR-HNNXBMFYSA-N 401.492 1.292 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)CC2)C1 1637854460 GYCDVZYUAJJMRE-UHFFFAOYSA-N 412.446 1.286 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@@H](C)[C@@H](C(N)=O)CC[C@H]3C)ccc2c1=O 1639209787 QQFOYPJUVYQKJU-DYEKYZERSA-N 400.504 1.986 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)nn1 1640332238 OXIDOZNQNHOKQE-ZDUSSCGKSA-N 412.837 1.442 30 10 HDEE Cc1ccc(C(=O)Nc2ccn(C3CCOCC3)n2)cc1S(=O)(=O)NCC#N 1640674204 PGFSMDKNKDUXSH-UHFFFAOYSA-N 403.464 1.597 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1640864512 YPFLQXUPHCHMPF-GDBMZVCRSA-N 402.447 1.825 30 10 HDEE O=C(CCCOc1ccc(I)cc1)N[C@@H]1CCN(O)C1=O 1641379329 VJLHEKMSFZQDIC-GFCCVEGCSA-N 404.204 1.557 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CCOC1 1641763648 IKSPDWPOKCDSGL-GOSISDBHSA-N 422.279 1.411 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C3SCCS3)cc2)CC1 1643370056 PDLOFVSSQMKHHY-UHFFFAOYSA-N 411.574 1.391 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1643588992 GZBWTRVXLCJEJP-FOIQADDNSA-N 421.881 1.953 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 1644709269 HMFYRMCDUWILQY-GFCCVEGCSA-N 424.889 1.422 30 10 HDEE CCn1c(=O)n(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc21 1649036105 YDHUYXLORRJIBY-UHFFFAOYSA-N 422.441 1.727 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3c(C#N)nc(C)c3C)CC2)cc1C 1652130131 ZLBRJOJCQUKHJK-UHFFFAOYSA-N 415.519 1.522 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 1652140326 AODGZRUGLTVRFN-UTHDKSHUSA-N 421.519 1.314 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1654002301 SPRZTWJITNYUFJ-KRWDZBQOSA-N 407.511 1.394 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1655108855 FWOCZTMKTZIPKZ-SFHVURJKSA-N 419.547 1.910 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@](C)(CO)Cc3ccc(F)cc3)CC2)o1 1656294149 TWHYROVLEFHJAF-NRFANRHFSA-N 415.469 1.226 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(S(C)(=O)=O)c1 1661901197 FRIWWISPTGJPQN-UHFFFAOYSA-N 415.475 1.719 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)C1 1665457121 HQIMNVHEAXETOB-IBGZPJMESA-N 419.547 1.805 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1676058043 SWVQFDZYGSMHDF-GOSISDBHSA-N 404.536 1.368 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2CCN(Cc3cccs3)CC2)c(=O)nc1O 1676336051 BSLIPTMWWRHGND-UHFFFAOYSA-N 416.507 1.093 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1686368932 ZVLPRXXRLANYSP-MJGOQNOKSA-N 401.482 1.898 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689979940 JNOZYNXFXQCQIQ-NJAFHUGGSA-N 407.584 1.759 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689992119 HWDMRGJBKNDARH-ZWKOTPCHSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](C)C1 1690019648 NYCJGTIXCQQECP-KSZLIROESA-N 419.551 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1cccc(F)c1 1690102659 RKSBGJCFRZAOEZ-QAPCUYQASA-N 415.469 1.922 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1690146138 GWYGEZHPIWSCBM-MSOLQXFVSA-N 415.538 1.563 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC2CC2)CC1 1690417360 OMUKLEXOQHYYJM-HKUYNNGSSA-N 403.527 1.931 30 10 HDEE C=CCCOCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690511941 GTNJJIVXECLTCH-GHTZIAJQSA-N 421.542 1.044 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CCSC 1690670793 IWUHSYGWJBOCCM-ZIAGYGMSSA-N 415.585 1.060 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCOC2)C1 1690690461 ZCYCLVCUKFKVCL-PXNSSMCTSA-N 415.450 1.786 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695897281 GWAHBTHYKYKNHK-FPOVZHCZSA-N 423.565 1.947 30 10 HDEE CS(=O)(=O)CCOCCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1698309823 VCICZAVLIDQEEM-UHFFFAOYSA-N 423.564 1.732 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C1CC1 1705490512 LNZXHPPPSLKISF-CYBMUJFWSA-N 405.462 1.578 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCCC1 1705549877 LRUKEMYFUYRQAK-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1705568963 BJKBLSMZPCSKFT-MOPGFXCFSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1occc1C 1705581841 MDUIIFYSAFFKAI-GOSISDBHSA-N 409.490 1.966 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCn2cncn2)CC1 1705642410 SPOLULGVANMKGA-UHFFFAOYSA-N 406.494 1.212 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)N2CCC(OC)CC2)CC1 1705643030 QEGPFUHGSWIVEZ-UHFFFAOYSA-N 418.586 1.459 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705652100 PTGYEIVBRYSSCN-UHFFFAOYSA-N 405.568 1.843 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N(C)CCNS(C)(=O)=O 1705657769 QHXYBNJCZJKFIW-UHFFFAOYSA-N 407.565 1.605 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705694860 UAVAVZZJCSBGSU-CKJXQJPGSA-N 416.526 1.197 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705696365 GLLXOEVMLAQVCP-FPOVZHCZSA-N 416.570 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1705900639 KSDZNWOYSHGHBT-KRWDZBQOSA-N 423.477 1.816 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCC2)C1 1705939338 VWDQVILAJGDMNX-IRXDYDNUSA-N 424.567 1.983 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1706076547 FTIUYXKINWTYJH-KBXCAEBGSA-N 410.478 1.913 30 10 HDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1706636825 DZRWHGJHYFZRRW-KRWDZBQOSA-N 412.494 1.869 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCOC1 1712637220 LMMXNNTVMSEQBN-ZWOKBUDYSA-N 405.499 1.284 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(C4CCC4)CC3)n2CCOCCCO)c1 1712878171 HXKXOYHFLTWNNK-UHFFFAOYSA-N 410.522 1.890 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCSCC1 1722345475 FKLQYBJMFIWUJK-UHFFFAOYSA-N 419.576 1.467 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=C)c2ccccc2)CC1 1722430127 XXSGSWVZLFKSII-UHFFFAOYSA-N 404.518 1.983 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@@H]2C)C1 1722709816 YZVXSGMVCVKDSP-CSODHUTKSA-N 403.527 1.847 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCCO1 1722727352 KUAGISSCLBDPJX-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@H](F)COC 1727603912 XIFGIYCDPQDDNW-AWEZNQCLSA-N 403.462 1.889 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncnn1C(C)(C)C 1730818920 JRBROCYVDVLHNX-HUUCEWRRSA-N 404.519 1.993 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ncccc1N(C)C 1740644379 DEKKJVYUANHFPN-UHFFFAOYSA-N 405.506 1.486 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740738822 MFLRZUXQBAHIQD-OCCSQVGLSA-N 400.321 1.863 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740900487 YPSUWJSBEWCERH-INIZCTEOSA-N 403.508 1.809 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1740961829 ZKVAPODUVKGXEE-UHFFFAOYSA-N 416.913 1.645 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1741127438 BVOGQHQEAROHTI-KBPBESRZSA-N 417.491 1.704 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1741132318 HCAPZUDZWTYTEK-VFNWGFHPSA-N 406.494 1.591 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1741678469 FJKXVUNKEWYETK-QZTJIDSGSA-N 417.558 1.656 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCO1 1741753690 GLYZDWZFUUCRRH-SFHVURJKSA-N 422.493 1.624 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1742282796 BMHGAZGLMWCLKB-OALUTQOASA-N 413.478 1.700 30 10 HDEE Cc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)c1 1742303291 GJKYKXRULKFDBU-NRFANRHFSA-N 420.452 1.916 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1743781801 FAALZAZUTFNNJZ-ZBFHGGJFSA-N 418.523 1.477 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1747356466 RZBOXBGHHCSXTD-UHFFFAOYSA-N 423.477 1.374 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1748717484 AWHCXUXFDVVRRY-HOTGVXAUSA-N 417.539 1.454 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1748747531 JNCCQSMUJDBECT-SFHVURJKSA-N 422.537 1.883 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCSC1 1748766707 VKKDSMCKVJOFMC-IBGZPJMESA-N 419.938 1.799 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1748817810 QWHTZORQKWSNNB-GFCCVEGCSA-N 410.450 1.243 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F 1748892604 SLJUIKFCFPKFFI-CQSZACIVSA-N 402.442 1.986 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1)C1CC1 1749516463 AFQHRQQPBRXFIH-GOSISDBHSA-N 401.559 1.412 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1C 1749546792 DXSFIKQJAVLQCQ-MRXNPFEDSA-N 410.457 1.738 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1749849287 HUDSXSYTRTWYGJ-UHFFFAOYSA-N 423.521 1.790 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1C 1749896286 UJXHFGZWLRAENH-QGZVFWFLSA-N 421.505 1.934 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)F)CCO1 1750387919 FAXBHEDNFQQDLE-HUUCEWRRSA-N 420.420 1.946 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1750560907 DFJATKBXCQYTAE-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)CC#N 1751005529 DDFYUQQUBPQQNJ-AWEZNQCLSA-N 410.569 1.997 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1F 1751216244 BWYCKZVIMAVAIO-YVEFUNNKSA-N 410.450 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1760125540 ZXVOLKWRAYITGW-INIZCTEOSA-N 415.469 1.703 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccn2)CC1 1760141507 XDSNESYPPRRXRC-UHFFFAOYSA-N 407.522 1.926 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760187194 IRKKYARHOOCOHS-XLAORIBOSA-N 424.542 1.937 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1760366741 IDWULMSXRBRUTQ-UONOGXRCSA-N 402.952 1.315 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760559605 QZUQPWWUDRFQOK-CQSZACIVSA-N 421.527 1.605 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1760559955 WPBFBTKJTJGIKW-NXOAAHMSSA-N 424.567 1.695 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1760594324 CRROXCYGHNZKSJ-UWJYYQICSA-N 411.485 1.964 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCOC2)CCOC1 1761284910 FKKOOBUWFHNMGP-NJDAHSKKSA-N 419.526 1.600 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1765156808 BHBMESPRKXGJDW-UHHPSXQGSA-N 402.499 1.933 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1767807830 GPZXAGSHRJLBCI-SFHVURJKSA-N 417.558 1.497 30 10 HDEE COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1770964506 XHMJOFDIBAJCME-WMLDXEAASA-N 414.466 1.154 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)CC1 1849256974 IMHLXYIKZQMJRZ-UHFFFAOYSA-N 423.498 1.299 30 10 HDEE O=C(N=C(NS(=O)(=O)c1ccccc1)c1ccccc1)[C@@H]1CCn2cnnc2C1 1850001434 PXMVAVQQOCLULI-MRXNPFEDSA-N 409.471 1.792 30 10 HDEE O=C(NCC#CCN1CCCC1)c1cccc(S(=O)(=O)N2CCSCC2)c1 1851664230 WGKBSDFNXBJOCM-UHFFFAOYSA-N 407.561 1.253 30 10 HDEE CN1CCC(N2C[C@H](C(=O)N(c3ccccc3)c3ncc(C#N)cn3)CC2=O)CC1 1851890017 VPONYAJAKJCXLE-QGZVFWFLSA-N 404.474 1.956 30 10 HDEE COc1ccc(-n2cc(CN3CCN(C(=O)c4ccc(C#N)nc4)CC3)nn2)cc1F 1851938766 XPFRGRQSXCDROK-UHFFFAOYSA-N 421.436 1.640 30 10 HDEE O=C(c1nccnc1N1CCCCC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852040332 NETQODRPEGCIRB-UHFFFAOYSA-N 405.402 1.951 30 10 HDEE COc1cccc(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1OC 1852217234 KOZIGWWAXPPVDY-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE C=C1C[C@@H]1COC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1852773668 QFFMTKBLMXNLLF-OAHLLOKOSA-N 409.508 1.539 30 10 HDEE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1853053948 HPXNLUDKEMBFBF-LIRRHRJNSA-N 418.457 1.744 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CCC3=O)n2)cc1 1853688657 ZSVWPHDAXYVLNT-KRWDZBQOSA-N 407.478 1.585 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1noc(C2CCOCC2)n1 1853739614 RNZCGXOSEVXPDA-CQSZACIVSA-N 409.446 1.708 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(OCC)nc2)C1=O)[C@@H]1CCN(C)C1=O 1853789307 DZJHRVTZZQYMLG-DLBZAZTESA-N 400.479 1.330 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1=O 1854211393 VHTVZCPZWQSMAP-IRXDYDNUSA-N 400.479 1.329 30 10 HDEE Cc1ccccc1C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854253141 ROEXZURMXMCNTA-IBGZPJMESA-N 404.474 1.609 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCn2ccnc2C)C1=O 1854301824 KRBUXRCJJZOSCK-MSOLQXFVSA-N 401.511 1.208 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1855452545 PQBNDIGPYHROIO-HNNXBMFYSA-N 418.519 1.588 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cncc(N(C)C)c2)CCN1CCOc1ccc(C#N)cc1 1855943602 FHJZIENNZIQXHR-MRXNPFEDSA-N 407.474 1.771 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)CCN1CCC#N 1856189621 RNORMYXLDXQDDY-HUUCEWRRSA-N 411.437 1.583 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccc(F)cc3F)C2)C1 1856378357 SUXCPDVSVXDWMC-ZDUSSCGKSA-N 412.396 1.983 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ccc(F)c(F)c3)C2)C1 1856410305 CIMQLCFYAXWLHX-CYBMUJFWSA-N 412.396 1.983 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](n4cnc5ccccc54)C3)C2=O)ccn1 1856592403 KKUCPTYZNVDYHK-PXNSSMCTSA-N 400.442 1.991 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 1856890346 XPMDJNJZVOVPTO-LSDHHAIUSA-N 423.922 1.514 30 10 HDEE CC(=O)c1ccc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857112237 UTZKSGSFUTUCEI-IBGZPJMESA-N 404.426 1.660 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)nn2)cc1 1857274963 VYWLJCTWQPZPFW-LJQANCHMSA-N 408.462 1.312 30 10 HDEE C[C@](C#N)(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1858042595 UADDXNJGBMDUFL-MRXNPFEDSA-N 414.325 1.976 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206817 WIKMXQQXGORKGK-DOTOQJQBSA-N 406.914 1.214 30 10 HDEE COc1cccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)c1 1870139879 OPBQPGQBHJOLDE-UHFFFAOYSA-N 402.370 1.626 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870563568 GYTKVXVITQTRQN-UHFFFAOYSA-N 408.546 1.740 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1cccc(N(C)C)c1 1871260527 MPLDQIMFBIYPNW-UHFFFAOYSA-N 414.506 1.590 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccc1O 1874338573 XGQMVTMLOGGSGA-IEEVUCOHSA-N 417.491 1.855 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(Cn3ccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1892114938 QIHRECIAVGUOKZ-VQTJNVASSA-N 424.530 1.702 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCB1OC(C)(C)C(C)(C)O1 1985102885 NIYIRLFFIBSGGJ-AWEZNQCLSA-N 413.324 1.400 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)c1cccc(C#N)c1 2174778965 DFPXVJLVABYSLY-UHFFFAOYSA-N 415.493 1.129 30 10 HDEE C#CCN(C(=O)[C@@H](F)CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180112070 CGJCEKBHUDWOLS-GJZGRUSLSA-N 402.488 1.230 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CCC[C@H](S(C)(=O)=O)C2)[C@H](C#N)C1 2194928868 PUVQCSIFBIMEAS-RVKKMQEKSA-N 400.545 1.116 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243383716 BQDHHBWAHVXEHF-NEPJUHHUSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247284768 CFIMYBPERIZSTL-JKSUJKDBSA-N 419.331 1.845 30 10 HDEE Cn1nc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2247824001 UCXOHTFWOGQNAO-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](OCc2ccccc2)C1 2247856850 CESWTNWJOCAKPP-INIZCTEOSA-N 412.299 1.546 30 10 HDEE CN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2247909672 DUOYCGJNFMXOPM-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE Cn1nc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247923392 XXYJBYOPISGVDD-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCONC(=O)OC(C)(C)C 2247928585 DLKMJXLPWPMJSR-UHFFFAOYSA-N 423.319 1.901 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2248572795 VRMXPYWVVGQTJV-GJZGRUSLSA-N 423.294 1.912 30 10 HDEE C#C[C@H](CC(C)C)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258157466 CVPDCTWFACMLNB-IAGOWNOFSA-N 410.492 1.422 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2281953733 OMJYOLLSVRFUGB-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CO[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282318405 FKFMLPKFBRTWDS-RYUDHWBXSA-N 403.331 1.048 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282321592 ZCPWQPPIVUVQDO-CHWSQXEVSA-N 401.359 1.938 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1CO 2282334056 WQFKKYOPBLCJHA-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2282488825 CCOQOHMOXZUMBP-LDYMZIIASA-N 415.264 1.637 30 10 HDEE CS[C@@H]1CC[C@H]1NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282501170 TXTJAPOLRYIOBB-VXGBXAGGSA-N 401.363 1.200 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282506610 VEBDLYHEMLZWQL-JSGCOSHPSA-N 400.375 1.607 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@H]2CCCO2)OC1(C)C 2282829572 GWCZWQLSBQJJFM-LBPRGKRZSA-N 402.347 1.431 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@@H]3CN)cc2Cl)OC1(C)C 2282829968 NNJHRJWSAJWPQF-NHCYSSNCSA-N 418.777 1.668 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)N(C)C 2282830296 RHNJOFIJJXXLMN-SECBINFHSA-N 422.765 1.456 30 10 HDEE CC(C)[C@@H](CN)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282831689 COKPZHMLBSTPEL-CQSZACIVSA-N 402.753 1.901 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CN1 2282835131 PPTQJFUBILDYIE-RYUDHWBXSA-N 400.737 1.668 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(OC(F)F)C2)OC1(C)C 2282839454 DOPRXNMFIRQTPN-UHFFFAOYSA-N 410.273 1.196 30 10 HDEE CCCC[C@@H](CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842572 AFUQBXLLJDHUNA-AWEZNQCLSA-N 402.391 1.984 30 10 HDEE Cn1ccnc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282845334 QQIYJNRFCPJTKU-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2282845913 ARIHNASAIQANSJ-UHFFFAOYSA-N 423.340 1.655 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@@H]1CCCSCC1 2282849185 XOJYVUVANHXOLV-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE C[C@H](F)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400814 YPJZJTOSHRMCEE-GXSJLCMTSA-N 407.294 1.278 30 10 HDEE C[C@H]1C[C@@]1(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284416565 ZPKWUZFNKRVNMI-AYVTZFPOSA-N 421.733 1.842 30 10 HDEE C#CCN(C(=O)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2286841397 NZSDSMSMEYNEMP-GJZGRUSLSA-N 400.541 1.965 30 10 HDEE COCCN(C[C@@H](C)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2288010428 MEBJXHWSUVMDAP-GFCCVEGCSA-N 405.347 1.065 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(NCC#CBr)(C(=O)O)CC1 2306580802 XYFQMGNGCHETDK-UHFFFAOYSA-N 404.305 1.376 30 10 HDEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1cccnc1 2327446127 HTQSQBMZZFOXPA-UHFFFAOYSA-N 404.402 1.990 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2365211769 NIUWMROFBLXOOZ-DNVCBOLYSA-N 402.557 1.865 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808527 DBDQMSDEZDQEEZ-HDMKZQKVSA-N 402.557 1.599 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819958 PZMIYHRXXWURQU-BZUAXINKSA-N 402.557 1.442 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc4c(c3)OCO4)cc2C1=O 3568908 ARSFPTYKSCXXGD-UHFFFAOYSA-N 422.393 1.671 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1N/N=C(\C(C)=O)C(N)=O 9508485 WSNQFTBONMEBAV-HEHNFIMWSA-N 420.447 1.347 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OC)cc2OC)n1 22628862 UFBKVIAOHJATCS-UHFFFAOYSA-N 418.475 1.363 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 44359933 CPTWAAJITPBCCO-RUWSDDDDSA-N 423.516 1.205 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2ccc(C#N)cc2)cn1C 64818958 GEVUGAHXEVIFGC-INIZCTEOSA-N 416.459 1.475 30 10 HDEE C#Cc1cccc(C(=O)N2CCC3(CC2)[C@H](C(=O)OC)CC(=O)N3OCCOC)c1 72146114 DFPXIYYHXWEKJG-SFHVURJKSA-N 414.458 1.242 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)c1 116631387 LBHQRSPNFKNRIE-SFHVURJKSA-N 411.487 1.768 30 10 HDEE CC(C)(C)OC(=O)N(c1cc(B2OC(C)(C)C(C)(C)O2)c(C#N)cn1)C1CNC1 309969508 IAJFIRUZRXCYRE-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 428093245 QEOHOCKITNOOII-UHFFFAOYSA-N 403.479 1.822 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 430271454 XVMUQUMYGYRPTM-UXHICEINSA-N 421.519 1.266 30 10 HDEE CC1=C[C@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 430293475 ZSBSUJMIYAEITG-INIZCTEOSA-N 402.520 1.289 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)C1=O 464472237 NYNIYIBRLIZUDY-UHFFFAOYSA-N 401.419 1.235 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 478140701 FMTYSSXIJZGSIU-UHFFFAOYSA-N 423.491 1.534 30 10 HDEE COc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)c1 480151620 HREALEMOWWKXPK-UHFFFAOYSA-N 417.490 1.689 30 10 HDEE CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)n1 489545585 BRMKDISLAHRDOD-CQSZACIVSA-N 420.495 1.249 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 503089283 ZFUAUJVOWTTYAM-NRFANRHFSA-N 400.479 1.696 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 504032947 CHRBJXZCJMAZIR-IBGZPJMESA-N 400.523 1.803 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508495032 SRHGWNCRULAPOU-GOSISDBHSA-N 405.462 1.727 30 10 HDEE C=CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508496216 CUPOPQMGAHOAJG-UHFFFAOYSA-N 400.483 1.013 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 508930267 KORVLTCGHKFLSN-LJQANCHMSA-N 405.543 1.881 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccccc1-n1cccn1 510230063 KCQVLNUKIOYKJD-HNNXBMFYSA-N 409.471 1.727 30 10 HDEE COc1ccnc(N2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)n1 519156094 KGROMOFKJOQIKN-UHFFFAOYSA-N 420.477 1.298 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(c3nccc(OC)n3)CC2)c(OC)c1 532556793 IZXFWCZABMEZPV-SFHVURJKSA-N 414.506 1.784 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C1CC1 532818095 QAQXVPIBTSGKAE-HNNXBMFYSA-N 404.536 1.840 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(-c2ccccc2)c1C 533433178 YYXULZNFYBMZFK-MRXNPFEDSA-N 415.519 1.528 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSC2CCOCC2)CC1 535151995 BVDPATNLSUACTF-UHFFFAOYSA-N 409.533 1.303 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCCC1 545366259 GMYDJZXGAHQPNB-UHFFFAOYSA-N 405.524 1.287 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])c1 546178799 QJFHTOLRVXWYGD-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE CN(C)CCOc1ccc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546878428 CTOOCIDKGBIDEQ-UHFFFAOYSA-N 422.533 1.968 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)nn1 547275922 BHTCPQGEIQGZEF-ORAYPTAESA-N 405.455 1.490 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1-c1ccc(F)cc1 565578461 UCGOVTPBOGSHDH-UHFFFAOYSA-N 423.469 1.604 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCOC)[C@H]1CCOC1 566883631 IBGAUXCGWFFTNK-HNNXBMFYSA-N 420.539 1.666 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)c(F)c1 586859229 WZFADURJSYNKIB-UHFFFAOYSA-N 412.396 1.437 30 10 HDEE Cc1nc([C@H]2COCCN2S(=O)(=O)c2cccc(Br)c2C#N)no1 588122787 CNJAKHAKYFWCLL-GFCCVEGCSA-N 413.253 1.774 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 609993031 FHYNKMFVVGUYMP-HNNXBMFYSA-N 403.464 1.856 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Br)c(F)c1 732456261 FUWJNGZTHISKMC-CCEZHUSRSA-N 411.231 1.914 30 10 HDEE C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)N1CCOCC1 732707229 VWNVWPMSSSGOSS-JXFKEZNVSA-N 411.506 1.217 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=S)NCCN3CCOCC3)CC2)c1 749107672 HFSPNCBJCJGLMM-UHFFFAOYSA-N 401.536 1.415 30 10 HDEE C=C(COC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 754616060 OQCHSHSFGBYNSE-MRXNPFEDSA-N 401.419 1.199 30 10 HDEE C#CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCS(=O)(=O)C1 755221670 XVLVCWURVUOYGI-ZDUSSCGKSA-N 415.265 1.549 30 10 HDEE C[C@H](CC(=O)N[C@@H](c1ccccc1)c1nc[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 756113482 ZIPXWJVHBIOWIA-ACJLOTCBSA-N 424.486 1.528 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCCC1 756910566 JCSLUHZQJYONQN-UHFFFAOYSA-N 403.548 1.538 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 762549552 SVVLOTYEGDTLAZ-FQEVSTJZSA-N 411.527 1.945 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN4C(=O)OCC[C@@H]4C3)ccc2c1=O 765274951 ZMTIJQADGHGQMT-CYBMUJFWSA-N 400.460 1.538 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CCN1C1CC1 767774078 KAXYCILRTMRULN-HOCLYGCPSA-N 409.483 1.602 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)CC3(C#N)CCC3)c(=O)[nH]c21 771074177 PQECIIDVQXRLMC-PLNGDYQASA-N 403.464 1.459 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 774168336 VVEKLHNHAGXRRC-CYBMUJFWSA-N 405.398 1.355 30 10 HDEE C#CCN(C(=O)NCCN(CCC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774260562 CYOARPWTAAYTPL-OAHLLOKOSA-N 401.529 1.465 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(F)cn3)CC2)C1=O 774649373 MRSGEFBKLWIXLC-OAQYLSRUSA-N 408.437 1.639 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3ncccc3C#N)CC2)C1 776968372 OOGDNPWVOZHDIX-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 777814385 ZCELINABVDTRMH-LJQANCHMSA-N 411.550 1.387 30 10 HDEE COc1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c(N2CCN(C(C)=O)CC2)n1 780921283 KYLJEYYBLTZRPX-IBGZPJMESA-N 409.446 1.302 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1 783127426 LIAQPQWGBAEYQJ-UHFFFAOYSA-N 415.512 1.542 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790604257 PBGJMQMKPRDVIJ-KXBFYZLASA-N 415.556 1.859 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccnc(C#N)c2)cc1 795972071 OPUUGHHLDWOHBH-ZDUSSCGKSA-N 416.459 1.824 30 10 HDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N(C)CCOc1ccc(Cl)cc1 798740693 AMCJFDHBYWMOAA-OLZOCXBDSA-N 405.842 1.833 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)=NO1 798927977 WLYORZFCZULLQP-OAHLLOKOSA-N 414.466 1.271 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)C1=O 799026388 JPEBQLIPNLBERY-OAHLLOKOSA-N 403.483 1.562 30 10 HDEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)s2)cn1 800847324 YZRASAMRHVBSKT-HNNXBMFYSA-N 423.523 1.577 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c(O)nc2C)n1 803261110 YTZNITSQTYGRTE-UHFFFAOYSA-N 407.268 1.977 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 804734145 DVAIMSUHWYJWTJ-UHFFFAOYSA-N 423.288 1.996 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)ccc2OC)c1=O 812273575 DBBJBVAISKXHEL-UHFFFAOYSA-N 416.474 1.576 30 10 HDEE N#CC(C#N)=c1sc(=Cc2csc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C#N 917798974 ISQTYZNXKMRRAT-UHFFFAOYSA-N 405.420 1.767 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)[C@@H]1CCS(=O)(=O)C1 918756763 YNEPBLXESALEOZ-CQSZACIVSA-N 421.500 1.486 30 10 HDEE N#C[C@H](C1=CC=CCN1)[C@H]1C=CN[C@@H](N2CCN(Cc3ccc(F)c(F)c3)CC2)N1 1082164196 GTYJZDRYBGPXSI-ZPMCFJSWSA-N 412.488 1.624 30 10 HDEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cn1 1084435498 WCQIODJFMFFKRF-UHFFFAOYSA-N 404.485 1.524 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)C2(c3cccc(C#N)c3)CC2)CC1 1116672141 NXEGBKYXFQVPAE-UHFFFAOYSA-N 406.504 1.964 30 10 HDEE C=C(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1124480754 WBZQIPHELVLDRR-AWEZNQCLSA-N 400.522 1.693 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(F)ccc(Br)c3C2)C1=O 1129343152 AJUVXLJYGYBDRP-UHFFFAOYSA-N 424.226 1.450 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 1136632578 CQPUGPNFJSGRLJ-HDICACEKSA-N 420.554 1.354 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1136861821 NESABHMHCLHPTJ-UHFFFAOYSA-N 419.547 1.263 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c[nH]nc3[C@H]3CCCO3)CC2)cc1 1141411914 RBGJKFCJCFTTFG-QGZVFWFLSA-N 415.475 1.280 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 1149237156 DJPQVFPUENETRJ-GJZGRUSLSA-N 400.435 1.812 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)OCCc2ccccc21 1153380033 BLGMSPHUGLPGTL-QVKFZJNVSA-N 413.499 1.829 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1164661157 WBCZAKCPUJNQAP-KRWDZBQOSA-N 408.520 1.764 30 10 HDEE COc1ccc(C2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC2)cc1OC 1180999538 ALMMRSXWFRIJDL-UHFFFAOYSA-N 410.430 1.343 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1184469977 CPBMVSYHXQUGSJ-HNNXBMFYSA-N 402.480 1.876 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(Br)c(F)c2F)c1=O 1188424066 USRQROSOJYCVHJ-UHFFFAOYSA-N 414.206 1.633 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1194504802 FJSCDPPLOQXPPF-OAQYLSRUSA-N 403.548 1.400 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1234022617 ADMISIDZCIPVQJ-MJGOQNOKSA-N 411.506 2.000 30 10 HDEE COc1cc(CNC(=O)NCC2(N3CCOCC3)CCN(C)CC2)ccc1C#N 1248505580 MOMYAXIPIAXBLQ-UHFFFAOYSA-N 401.511 1.163 30 10 HDEE CO[C@@H]1COCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1264645024 KSQIMRFZQMBZKA-SCBBOUAQSA-N 409.508 1.880 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286325138 WCKXQEXZFVWQCL-HZPDHXFCSA-N 400.483 1.058 30 10 HDEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1286347138 IRLLCEFYQMGUFX-IBGZPJMESA-N 406.490 1.801 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1286388966 DEWVXBUCJYMOLX-MRXNPFEDSA-N 402.524 1.798 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1286401768 UTIQXPRMXYANTO-UHFFFAOYSA-N 422.514 1.424 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC2CC2)CC1 1286493771 PUXCBOZDAILOQR-UHFFFAOYSA-N 414.554 1.359 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286504044 HYTKUDBXFGVFFM-MSOLQXFVSA-N 416.595 1.908 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1286717623 DIRDPYZWMTUNBY-NRFANRHFSA-N 417.510 1.660 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C)C1 1286782882 BZNAIXAJWLDPJY-OAHLLOKOSA-N 407.482 1.459 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCC(F)(F)F 1286794176 YQSMOKSRQIIQDE-JSGCOSHPSA-N 405.421 1.693 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1291159551 QHVFRRDCELGIBM-ORQRPPJRSA-N 410.482 1.440 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1298426927 QZMNQGXXNPURSJ-INIZCTEOSA-N 401.444 1.158 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCCC1 1300226018 BMLGEUGYRMRPLO-KRWDZBQOSA-N 421.519 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1300303548 JLUWMPGIEIOGGN-YOEHRIQHSA-N 415.519 1.280 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300403343 ICDLVRVYOLFZMT-GOSISDBHSA-N 424.553 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1300538435 RHNOGGLOAZOGGP-UHFFFAOYSA-N 421.892 1.748 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1300602453 FKDZGKXCDSZHFB-SIKLNZKXSA-N 419.570 1.747 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1300666098 WCWVRLYRSIHVOT-INIZCTEOSA-N 420.510 1.995 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(=O)NC1CCCCC1 1300673132 FWURXUBERBFKNT-UHFFFAOYSA-N 410.522 1.799 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cncc(C)n1 1300914456 AJKAULJCZFTLRT-QGZVFWFLSA-N 415.519 1.741 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1300946203 PVUNVMLWXAIEGZ-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301262439 TWCVWGMJCUCMTC-HZPDHXFCSA-N 418.498 1.195 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1301967066 AIGRAFBHNASWSU-DJIMGWMZSA-N 415.519 1.780 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1302027324 IULZSMCSENNCGE-OXQOHEQNSA-N 424.521 1.291 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C#N 1302674900 UXNNEVNDAOFUGJ-STQMWFEESA-N 408.480 1.481 30 10 HDEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)C[C@@H](C)O1 1305111331 BJDIARHCLULWMI-NXOAAHMSSA-N 417.558 1.855 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1305431614 KMXRKWLSJFQJSY-KRWDZBQOSA-N 421.538 1.971 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)F)CCOC1 1314139086 GIMZNJSPVBKMMA-GUYCJALGSA-N 401.414 1.288 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1314656849 PFWLFUILIJFCCN-APWZRJJASA-N 406.506 1.725 30 10 HDEE CN(CCC(F)F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1314826796 DGSSSSBXRFVGCN-BVFVFODLSA-N 410.425 1.747 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCCC1 1314885909 HNNIPELEBBUZRV-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(COC)cc1 1316208396 DSSWUWYCSLGNPJ-VQIMIIECSA-N 415.494 1.926 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCO)C1 1316527007 GVEHUZWCHTZJKS-IBGZPJMESA-N 411.445 1.525 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CCO1 1316538273 JDAOUJXYAPWCQJ-TZMCWYRMSA-N 420.395 1.618 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3(n4cc(Br)cn4)CC3)CC2)nc1 1355329458 WUVNMNSCXZPQNF-UHFFFAOYSA-N 401.268 1.750 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358956735 JZPANLWFNXKNJW-QZTJIDSGSA-N 405.568 1.680 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1occc1C 1358984002 FBIONTRELKCGFH-UHFFFAOYSA-N 424.505 1.601 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1359033670 LHOSBRCELQCGSU-OAQYLSRUSA-N 423.565 1.452 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(F)c(F)c2)CC1 1359034642 YRGNWZTTWXVUBR-UHFFFAOYSA-N 411.460 1.955 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NCC(F)F)CC1 1359044576 JHCPTNDKZBHEFC-UHFFFAOYSA-N 422.480 1.283 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359129715 KUOWJMMBQOWQHQ-KRWDZBQOSA-N 412.494 1.760 30 10 HDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359134260 QHWIQRIAEQFBNI-SFHVURJKSA-N 417.485 1.552 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1359225794 LBOKJYMUBRKKIB-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1359262660 AKOBFRPEVVGZAU-UZLBHIALSA-N 416.551 1.550 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359304497 ZGGMMWDKVSVWIS-MRXNPFEDSA-N 400.527 1.719 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359341934 LABVPGHSENEYLF-LSDHHAIUSA-N 402.586 1.961 30 10 HDEE N#Cc1cn(CCC(=O)N2CCN(c3nccc4sccc34)CC2)c(=O)nc1O 1450833711 XFCWOKIFCQRZOF-UHFFFAOYSA-N 410.459 1.169 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(O)nc(SC)n2)ccc1F 1452472145 QWJQGKUKKNTLKG-UHFFFAOYSA-N 412.468 1.438 30 10 HDEE C#CCN(C(=O)c1ccc2cncc(Br)c2n1)[C@H]1CCS(=O)(=O)C1 1456083743 ISBPTNJYTQHCLH-LBPRGKRZSA-N 408.277 1.655 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1456194286 SDBOUFRWDWUBSR-IBGZPJMESA-N 402.495 1.391 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1460500598 FAQPCBPQQMFXHW-GOSISDBHSA-N 412.465 1.553 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)CCS2(=O)=O 1463274120 XGYZGGLYCQDIOK-LFDOHDQPSA-N 419.503 1.253 30 10 HDEE COc1ncc(NC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1C#N 1467269142 FVTTYZHBPCBFCF-UHFFFAOYSA-N 402.499 1.710 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 1469916334 DIRSNQYXEDBEEB-OAHLLOKOSA-N 417.890 1.485 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1470008909 XRKITBCOTBSLFC-YJBOKZPZSA-N 410.540 1.393 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1471717803 GCSNBCFAOPAYOV-CRAIPNDOSA-N 417.510 1.466 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1471984431 XETBIAGIEZMAKA-ROUUACIJSA-N 419.551 1.950 30 10 HDEE C=C(C)COCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1476832572 FRBNEUARYARELW-UHFFFAOYSA-N 411.524 1.984 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc2c(c1)CN(C(=O)NCC(=O)NCC#N)CCO2 1478601167 ARDAEASVXVYYSM-UHFFFAOYSA-N 403.439 1.577 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(c3ccc(F)cc3C(N)=O)CC1)C2 1479160122 SOPZBZHMKASMOM-SFHVURJKSA-N 407.449 1.795 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCO[C@H](C#N)C2)CC2(CCOCC2)C1 1479296627 GWCDZBLVASKDAE-JKSUJKDBSA-N 408.499 1.727 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC[C@@H]1C 1504521028 TZVGNOMBKPFCLG-MAUKXSAKSA-N 412.494 1.678 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1505326025 ZPWVDACSMSMRJG-GOSISDBHSA-N 416.526 1.551 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507541892 NBDQOTNKKGMVFL-OXQOHEQNSA-N 402.520 1.071 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1ncn(C)n1 1507618886 UGBDPRLOVMYMQA-UHFFFAOYSA-N 416.283 1.866 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 1507711468 UYCMWUJCUHHMAU-ZWKOTPCHSA-N 424.567 1.616 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCN(C)C(C)C)CC1 1507724287 MJSYKUXBKZCSEQ-UHFFFAOYSA-N 420.565 1.612 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507731600 NBIXMRQLHZMOTL-PMACEKPBSA-N 414.554 1.533 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1C(C)(C)C 1508149395 UCQXBGLQGURQGE-KGLIPLIRSA-N 411.528 1.111 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1509755340 SJOKXKXXHBJRQX-MJGOQNOKSA-N 418.505 1.947 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1514703447 PGSIYBOYLUBEJN-UHFFFAOYSA-N 410.459 1.950 30 10 HDEE COC(=O)c1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cs1 1516307615 IQIUKRWBEIMWOF-ZHZULCJRSA-N 422.488 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCSC1 1519451931 ZFOAVGJNLAAZBN-QAETUUGQSA-N 407.540 1.874 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCOCC(F)F)c1 1521069342 IXWPSHSUSVRYQW-HZPDHXFCSA-N 416.432 1.813 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1521130137 QVYVLQSNJVSYOI-PBHICJAKSA-N 414.441 1.679 30 10 HDEE C#CCSCC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1521754570 BAZLFUUYXGRRLB-UHFFFAOYSA-N 402.907 1.901 30 10 HDEE CCN1CCOC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1525956159 IKVNWVHWOHMMDZ-QTTZHIOCSA-N 422.551 1.939 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1 1532616453 ZRRUPMKNCAXLFA-UHFFFAOYSA-N 413.499 1.735 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)s1 1535151574 DCVCUMPQSVUGPT-UHFFFAOYSA-N 404.473 1.310 30 10 HDEE C#CCN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1537469268 NBCUHHVLGLBVOI-QZTJIDSGSA-N 420.531 1.976 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1539021465 JFIKPZDJOSMKMD-MRXNPFEDSA-N 404.474 1.634 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1539315367 KIVRFOFRTWOQRU-JKSUJKDBSA-N 411.462 1.009 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H](O)C1 1539323646 IBNFMYXOIOBKFR-KZNAEPCWSA-N 404.536 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1noc2c1CCCC2 1539392939 ZUIIDNPZDUNTGX-UHFFFAOYSA-N 412.494 1.515 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@H](C)CC 1539416872 UGIGULCPIBEJQA-GPMSIDNRSA-N 412.556 1.063 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN(C)CCOC)CC1 1539434207 CVKDBTGEOFSPAC-UHFFFAOYSA-N 412.538 1.287 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539772200 FQVGNPVSABZQAC-GOSISDBHSA-N 401.858 1.394 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539966183 GAUJLOHHXHMJQZ-SFHVURJKSA-N 404.559 1.785 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)CNC(=O)C2 1539974337 OYBNBRMQIZRZNV-UHFFFAOYSA-N 400.527 1.863 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540036889 WHHCQRREAXKAAI-WIYYLYMNSA-N 405.543 1.676 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1CCS(=O)(=O)CC1 1540087443 YIOSZNJRXAEXAC-UHFFFAOYSA-N 423.564 1.717 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1540909427 HFWWIFWOSODQHU-WMLDXEAASA-N 417.601 1.813 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCC(=O)N2)c1 1543195618 MXYUXTLSGMHGSN-HDHZYAPQSA-N 406.508 1.887 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 1544788080 YDHYNOWWBWKVLJ-HNNXBMFYSA-N 407.492 1.779 30 10 HDEE CCc1nnc(N(CCCOC)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1546440644 YEKKHGDPCZWYMH-AWEZNQCLSA-N 407.496 1.383 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC#N)CC1 1552729109 IEUWTWRANPSBKK-UHFFFAOYSA-N 420.481 1.139 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1554377490 CTTIQNKEBGPGNW-UHFFFAOYSA-N 408.466 1.978 30 10 HDEE COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1555127604 CRJLVGUJWDXGOY-UHFFFAOYSA-N 409.494 1.982 30 10 HDEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1555255549 GXWKLPFNCPQHBL-JQHSSLGASA-N 404.515 1.010 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)Cc1c(C)cc(C#N)cc1C 1556930479 QOBKSFNAEVQSCS-PBHICJAKSA-N 403.504 1.687 30 10 HDEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1557344510 YTWPUXSVTMJINB-VIFPVBQESA-N 424.260 1.777 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1557384543 QSVWPOGNFBUFJY-LJQANCHMSA-N 401.488 1.591 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccccc2OC2CCCC2)CC1 1558075547 XPDKOZARGZFEIU-UHFFFAOYSA-N 405.520 1.162 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1558102802 MJQVOVMSJMKZKJ-UHFFFAOYSA-N 408.495 1.603 30 10 HDEE C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)s1 1558806059 CCMOESRJULNPBQ-QMMMGPOBSA-N 409.265 1.832 30 10 HDEE CCOC(=O)c1ccc2c(c1)nc(CN1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)n2CC 1560193498 CDEGXAXTSITOGS-MGPUTAFESA-N 416.503 1.603 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1)C1CCOCC1 1561770473 JJTRSQXMNXVTNE-MRXNPFEDSA-N 410.448 1.787 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1561929261 MPFJSVBHGLNNAF-MRXNPFEDSA-N 414.911 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 1563533708 FBHXYLSYSGXGCY-UHFFFAOYSA-N 406.552 1.321 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(C)(C)CO)CC3)C2)C1 1567081711 ZYPXZUGTFRLOQF-JQHMZKTJSA-N 420.554 1.688 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)nnc1-c1ccco1 1583226934 CCPSLCHJVYQJSN-ZIAGYGMSSA-N 417.491 1.322 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1584868268 FYJQSYFDGIVRGK-CJNGLKHVSA-N 408.476 1.293 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](OC)C[C@@]3(C)C(=O)OC)ccc2c1=O 1587053268 AKJVOCFDCBOXCT-RBZFPXEDSA-N 417.487 1.664 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1587783218 LKANLCPQITXAMM-UHFFFAOYSA-N 412.542 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCN1CCOCC1 1587945742 PSQWIJIPELLRCK-UHFFFAOYSA-N 421.509 1.103 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCn2ccnc21 1588089901 QOBLSIXKYPVUBI-XMSQKQJNSA-N 408.506 1.777 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1=O 1588248722 ANXCTCDFQLSCMS-ZIAGYGMSSA-N 408.252 1.542 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1588271717 NUIAGJLLKISLAM-KNQAVFIVSA-N 419.570 1.891 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1588276525 OUQDVGNGGCJAQI-UHFFFAOYSA-N 404.276 1.077 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1C 1588574689 PVSJGADIXNHEOG-CQSZACIVSA-N 411.553 1.393 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1588638240 QGHCKGISZVEKDW-IRXDYDNUSA-N 411.510 1.398 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(C)CC(F)(F)F)CC1 1588800900 QZNAGWYLOGFLGQ-UHFFFAOYSA-N 409.460 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)SC)CC1 1588954119 AFNHCDHPPMQNLI-INIZCTEOSA-N 412.563 1.981 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1588984955 MYCYBBHDXDVAJT-CQSZACIVSA-N 405.528 1.289 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1589059519 GTMGOWCXULBLFS-KGLIPLIRSA-N 400.512 1.066 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1589110117 POGMDNRRVZREKY-UHFFFAOYSA-N 415.567 1.611 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1594807424 ONXVGFVFTBNMPS-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1595266153 AZWVUXXZZSZBOE-UHFFFAOYSA-N 400.545 1.154 30 10 HDEE CC(C)CN(Cc1cnn(C)c1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1596531622 IAEXTGRJCBXURJ-UHFFFAOYSA-N 403.508 1.910 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1614040795 FGXGCGUWLARBQD-OAHLLOKOSA-N 405.480 1.052 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4ccc(OC)cc4)n3)CO[C@H]12 1616134011 YPGPGKDEEJVWMQ-NCXUSEDFSA-N 411.462 1.584 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)Cc1ccc(Br)cc1C#N 1617954953 ZOXUQPWYKRZBDU-DOMZBBRYSA-N 423.263 1.816 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619536844 BYDYEWBGNAJBLP-UWWQBHOKSA-N 412.498 1.015 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3cccnc3)n1CCCCCO)C2 1620349491 MYMRHNXCWLAJDN-UHFFFAOYSA-N 419.489 1.961 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N(CCCC)c1c(O)nc(=O)n(CC(C)C)c1N 1620652437 OODFTMZXIIRMJC-MRXNPFEDSA-N 403.527 1.808 30 10 HDEE C=C(CN(C)C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1622536530 OJOUITUCMRIJJC-CYBMUJFWSA-N 404.248 1.265 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC(C)C)C(=O)OC(C)(C)C)c1cc[nH]n1 1622717981 VJTKCZNPGMVDJI-CQSZACIVSA-N 410.471 1.566 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)C(F)F)c2)CC1 1624728465 RGSSPJXUMUNUEH-UHFFFAOYSA-N 406.414 1.912 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1625924905 YPTHUJJERZNVOY-CHWSQXEVSA-N 409.936 1.549 30 10 HDEE CCN(CC)C(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1628954829 UDIASDUCPQZACX-QGZVFWFLSA-N 423.558 1.586 30 10 HDEE C[C@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1629245822 QHKKQTVNNWLEQZ-XJKSGUPXSA-N 414.466 1.941 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1629505019 HFIPOBXSLTZIKC-UTCJRWHESA-N 424.494 1.497 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)C1 1633662511 NROCZYOFYJRRIR-YNEHKIRRSA-N 418.416 1.663 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCC[C@@H]3CNS(C)(=O)=O)n[nH]2)c1C 1633670767 WUFILDVHAJIKCF-CABCVRRESA-N 420.539 1.524 30 10 HDEE C=C(CCN(C)C)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1636051054 UAJIJWBDYJMPHU-UHFFFAOYSA-N 418.357 1.660 30 10 HDEE C#CC[C@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1636839331 ZKIXHECPESSHAA-VXGBXAGGSA-N 413.425 1.512 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1637390428 UOQFLKWUPNZUNO-LSDHHAIUSA-N 413.312 1.946 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1637576240 XEEBXDZBLOIDOP-NHYWBVRUSA-N 403.382 1.549 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](C(=O)OC)[C@@H]1CCOC1 1637689027 YYLBSEBOEZDVEP-MCIONIFRSA-N 404.891 1.964 30 10 HDEE COC(=O)N1CC(C)(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1638357011 CRLSVHLMKLGEMR-CQSZACIVSA-N 422.507 1.097 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)cc2n1 1639187389 MXXHOCMGAOCYRM-HXUWFJFHSA-N 411.462 1.776 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 1643878230 QKGAPWDXESRIBP-JLTOFOAXSA-N 400.410 1.444 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)n[nH]2)c1C 1644152231 PNWJYGHPDXKDAK-HUUCEWRRSA-N 403.508 1.583 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)c1 1645471377 DSKFBIHZYKLRQQ-SFHVURJKSA-N 416.455 1.251 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)cc1B1OC(C)(C)C(C)(C)O1 1648709396 PYVPVOPOFSCARK-RBUKOAKNSA-N 412.295 1.514 30 10 HDEE C#CCN1CCC(NC(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1652172320 AFPKNZGZGBFRAK-UHFFFAOYSA-N 404.511 1.746 30 10 HDEE N#C[C@]12CN(C(=O)CCC(=O)c3ccc4c(c3)OCCCO4)C[C@H]1CS(=O)(=O)C2 1653069980 RWAYLVCOHCDNMI-MGPUTAFESA-N 418.471 1.208 30 10 HDEE N#Cc1ccc([C@H]2CN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CCO2)cc1 1656288254 AUGSPAIGQKVRSY-LJQANCHMSA-N 414.487 1.608 30 10 HDEE C#CCCS(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1 1664575363 AXBYPPOBGAIEQN-LSDHHAIUSA-N 400.294 1.991 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)nc1 1665374962 AUPANGDQNUFTFU-UHFFFAOYSA-N 420.516 1.949 30 10 HDEE C#C[C@H](NC(=O)Nc1nc(CS(C)(=O)=O)no1)c1ccc(Br)cc1 1669724095 KJJWMDSPZAATBR-NSHDSACASA-N 413.253 1.873 30 10 HDEE C=C(Br)CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1672340499 XMYCLTFJNLSPPC-UHFFFAOYSA-N 400.229 1.628 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 1679365921 RMAHXDPPVMICTR-LSDHHAIUSA-N 403.545 1.780 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccccc3N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1680914120 WSIYMQAPWWDSNL-FXAWDEMLSA-N 402.520 1.757 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)C2)nc1 1682407860 SPFPCDHAWUUNOD-CHWWFWEZSA-N 411.466 1.060 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 1682953946 WRMLXYPTVKGYNI-OAHLLOKOSA-N 402.524 1.741 30 10 HDEE N#C[C@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCN1Cc1ccccc1 1683842389 PUIWQFCRNIGCGR-HNNXBMFYSA-N 418.441 1.383 30 10 HDEE Cn1cc(C(=O)NCC2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)cn1 1684752792 JHFLQNXHACBGRV-HXUWFJFHSA-N 406.490 1.611 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC2(CCOCC2)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 1684924194 PTGFJRULYMELLE-FUHWJXTLSA-N 418.515 1.891 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2ncc(Br)n2C1 1687854436 DPKHVGFWLNCNBM-GFCCVEGCSA-N 411.300 1.947 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689884136 KKXCNWDCXUNSCD-IBGZPJMESA-N 410.522 1.915 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689985790 BNFRPZHBKBIVDC-MSOLQXFVSA-N 415.519 1.392 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689986530 RVCDPINETXYYMB-IRXDYDNUSA-N 413.503 1.660 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC2CC2)nc1 1689998050 AMNLDKKPCIWPPF-UHFFFAOYSA-N 418.501 1.819 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(CC)C2CC2)CC1 1690134931 LKRIIVAMZZRBNI-ICSRJNTNSA-N 416.570 1.242 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(CC)CC 1690205884 APQMAPWJTQSOJV-ABSDTBQOSA-N 407.584 1.903 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690299244 KIWCQYSXDRQRJW-MRXNPFEDSA-N 406.531 1.504 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690340139 GQAFROOANBXOMW-UHFFFAOYSA-N 403.918 1.437 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690342224 FXVCGABGACJICB-HNNXBMFYSA-N 421.933 1.708 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690451646 LYLNQXZTEMGFIH-OAHLLOKOSA-N 418.523 1.905 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690506093 CCQGTSDPJAIOQD-UHFFFAOYSA-N 408.528 1.384 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1696948819 BJCLINGAEBPUKY-MRXNPFEDSA-N 405.462 1.739 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1O 1697066232 RFUYZNXAGBPBKZ-CXAGYDPISA-N 408.418 1.213 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CC=CCO2)cc1 1698488536 DMPSUBAVRYYYNS-WMZOPIPTSA-N 408.462 1.385 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1698494358 VHINRHZYTDHQJM-NWDGAFQWSA-N 407.368 1.428 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705508154 QPFPXRLTMFSFHK-HZPDHXFCSA-N 409.556 1.575 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1705551295 KWWMMKXSYVIZQP-IRXDYDNUSA-N 401.536 1.775 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705584315 GHKSLJXLHPFABG-WOJBJXKFSA-N 406.534 1.836 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN(C)C)c1 1705596499 GJDROOLJWBIGOE-FQEVSTJZSA-N 404.518 1.802 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1705611405 BYYUSGHSRZTLOE-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705627736 OJZDGBRMCDVMFW-KRWDZBQOSA-N 424.567 1.616 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC(F)(F)C1 1705628316 CSVWIXDPWQFHHU-CQSZACIVSA-N 402.467 1.312 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705660276 RAAAYPVMJBHGCU-OAHLLOKOSA-N 414.539 1.444 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCO[C@H]1CCOC1 1705676418 AMDNARGCRPPXJO-LAUBAEHRSA-N 401.511 1.588 30 10 HDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1705737599 VXMSKZACVQOWPP-YJBOKZPZSA-N 413.478 1.695 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CCOC)CC1 1705765661 WJAGTACWZZVNSL-NRFANRHFSA-N 424.509 1.865 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705805193 BGFKJUNAIPPPER-HZPDHXFCSA-N 414.514 1.670 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705825509 VRTQZIXHRXKRKD-HXUWFJFHSA-N 404.515 1.069 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCS(=O)(=O)CC1 1705914260 KGMGOOVNMFLVGQ-GOSISDBHSA-N 418.519 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCSC2)C1 1705936002 HPEZIORGZOGBSR-QAPCUYQASA-N 412.581 1.716 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1706074213 XGPLECTWVNJPOX-SWLSCSKDSA-N 413.482 1.516 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccccc1)OC 1722341897 GGBIFYGZYHEINI-DOTOQJQBSA-N 405.524 1.215 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1722352312 NYITUOMAOZBWIJ-KRWDZBQOSA-N 410.503 1.484 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1722413331 LFDUAUDVUJJARL-CQSZACIVSA-N 421.489 1.524 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cccs2)CC1 1722435680 RUHWLZVLKBPRPJ-UHFFFAOYSA-N 421.530 1.587 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722446668 HYZMBNBRWFVXTG-UHFFFAOYSA-N 423.565 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(F)CCC2)CC1 1722447307 HJAMAAQVOLWZAD-MRXNPFEDSA-N 416.501 1.477 30 10 HDEE C=C(Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1722539070 FQBCYUXOHZZLIW-MAUKXSAKSA-N 408.506 1.652 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1722556673 RJMKOUUGTDBYSG-LBPRGKRZSA-N 403.936 1.284 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722573496 ZTODLERBMOUFTG-INIZCTEOSA-N 400.527 1.831 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722697308 HTYOKIMPQLPJEC-JOCHJYFZSA-N 419.489 1.444 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2n[nH]c(C)n2)C1 1722710659 MRSJEYBGJKSVBX-JXFKEZNVSA-N 417.514 1.381 30 10 HDEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1723016872 NCUJUKHVIQMEFQ-MRXNPFEDSA-N 412.494 1.855 30 10 HDEE Cc1cccc(OCCN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1724244254 RWNSGFLCPRTCCB-FMQUCBEESA-N 410.478 1.937 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1731181259 NHEJQGMUKVXLEI-IIDMSEBBSA-N 411.503 1.581 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)CC1 1731185960 NMBXHBLQWJZUKG-RTBURBONSA-N 402.543 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740555486 JQNVQWYIIPWCNI-CVTQAYBASA-N 405.462 1.248 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740594046 ZLRJBNIAWDFXJP-MRXNPFEDSA-N 414.535 1.799 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1740665757 OVVRPTOZXAEAJY-BTYIYWSLSA-N 400.479 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(F)(F)F)CC1 1740706867 GKPPIQYDHTZEQY-UHFFFAOYSA-N 406.412 1.792 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C(N)=O)c1 1740716399 XSQIZZCAGPYBJY-UHFFFAOYSA-N 409.519 1.780 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/CC)CC1 1740838861 ADYPMQKYUVUISP-LXXRFIIISA-N 409.556 1.980 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740864624 OSGUQBYXSTZOPH-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCN(C)C 1741128646 ZSEANZAMEZXGTJ-INIZCTEOSA-N 414.510 1.890 30 10 HDEE CCOC[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747288545 JDHFBDFIXNMUKB-JVMRMLDLSA-N 416.526 1.866 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1748393198 QSOXHWCVGLCGBG-YCRPNKLZSA-N 410.478 1.623 30 10 HDEE C#CCCCn1c(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1748764101 HSCLUZUJFGGNPO-KRWDZBQOSA-N 423.583 1.620 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1748841065 RMNUVUIZDVVFOX-UHFFFAOYSA-N 420.498 1.454 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2N2CCOCC2)CC1 1748973271 ZTMQJDPGEZPKDU-UHFFFAOYSA-N 423.565 1.611 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749040458 XQJLXIKVOGNCGP-INIZCTEOSA-N 405.549 1.254 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749221071 XXYIHDXAADIKPS-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1749445645 UMCFLJRITPENCC-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccnn1C)C1CC1 1749734057 DQYJUFGVVOPYEL-HNNXBMFYSA-N 420.539 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Cn2cncn2)CC1 1749738799 XYNPRIZFLQMUPI-UHFFFAOYSA-N 419.555 1.340 30 10 HDEE C[C@@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1cccs1 1751241514 GUFAEJAMGSYVGJ-IFXJQAMLSA-N 400.508 1.938 30 10 HDEE C[C@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1752411712 GCATUAQZKFMXLZ-FUHWJXTLSA-N 424.505 1.728 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1760110383 CVYNRRPDLKZVLM-OIJAAMDRSA-N 403.508 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1760114496 NNJLTWBDYOJJOR-HIFRSBDPSA-N 413.478 1.761 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760206060 QAXUFBRRNJRHOA-LJQANCHMSA-N 412.515 1.448 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO[C@@H]1C(C)C 1760248685 QBOVEBDIIWGUHR-ZIFCJYIRSA-N 403.527 1.766 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1760253995 LINRUBOJLAGZFJ-SFTDATJTSA-N 415.630 1.820 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1760293847 GSZVPVPRVKTROY-JOCHJYFZSA-N 422.489 1.985 30 10 HDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1760363137 FRJYLLKUQGAAKO-KRWDZBQOSA-N 410.478 1.831 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1)C1CC1 1760477174 RFXUOHDZRTZHJF-INIZCTEOSA-N 409.556 1.057 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCc2sccc2C1 1760515577 YJORHWUTQQTFIB-UHFFFAOYSA-N 402.524 1.733 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)CC1 1760518402 TYWPSHXIGIDTAI-UHFFFAOYSA-N 418.885 1.236 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(CC)C(C)C 1764186968 AICSIMOQKHVOME-KRWDZBQOSA-N 405.547 1.656 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1768797024 ZIACTQOOWMIBTM-DVEDPGPFSA-N 416.526 1.965 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1769109281 DMXAIMOBZJQNHY-ZDUSSCGKSA-N 417.539 1.780 30 10 HDEE COC[C@H](F)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769282081 AVCTYPKDIHAZIK-QGZVFWFLSA-N 423.452 1.783 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770601939 JLAMSYKXOPPRSC-OSCRUYLVSA-N 423.477 1.482 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1C 1849522011 UNRLAPRZWCKLAI-MRXNPFEDSA-N 404.474 1.665 30 10 HDEE C#CCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 1850102692 DAXMMKXQARQKRF-CYBMUJFWSA-N 419.425 1.746 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccnc(C#N)c2)CC1 1850872891 NZCWTBYMHYPGLL-FQEVSTJZSA-N 419.485 1.915 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CC(=O)N(CCc4ccccc4)C(=O)C3)cnc21 1851808156 QFEMYTOZJHGHCF-UHFFFAOYSA-N 401.426 1.499 30 10 HDEE COCCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1cccc(F)c1 1853414528 YKTARSRRGPGDTB-UHFFFAOYSA-N 407.423 1.623 30 10 HDEE C[C@@H]1CCCN(C(=O)CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)C1 1853830852 KQLKDWNUNYVJJQ-QZTJIDSGSA-N 410.518 1.809 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CC3(CCOCC3)C2)C(=O)C1 1853946972 GHVGGMSPIXDMQK-UHFFFAOYSA-N 417.487 1.125 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@H]1C 1854311021 BCDOVXVHFJPWFP-MSOLQXFVSA-N 419.547 1.641 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@H]2C)c1 1854658389 PRIKTENDQJREOZ-CQSZACIVSA-N 413.455 1.629 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCN([C@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854997817 HTXKXHLVWFQGRF-WMZOPIPTSA-N 408.506 1.694 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855041942 QEFTYELIEJDESR-INIZCTEOSA-N 408.495 1.873 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(c3ccc(OCC)nn3)CC2)CCC1=O 1855133388 RAMBHRPXENIQOJ-QGZVFWFLSA-N 401.511 1.729 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)c3ccc(-n4cccn4)nn3)C1=O)CC2 1855176369 KCYDTWVAEVNTTF-RDJZCZTQSA-N 405.462 1.419 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CCS(=O)(=O)C1 1855232002 VGFUOXCHSGXDBU-UKRRQHHQSA-N 423.922 1.514 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855737212 BBEBQKWKPYGMOS-JQWIXIFHSA-N 421.372 1.597 30 10 HDEE C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856312636 AGEXXLCNTOALDF-WMLDXEAASA-N 401.488 1.887 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)n3ccccc23)c1 1858241933 LPZQUDSANZHUCE-OAHLLOKOSA-N 423.454 1.375 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cccnc2NC(=O)NC)nc1C 1858791201 COIHPTVBVVAVNP-UHFFFAOYSA-N 405.436 1.958 30 10 HDEE CC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1867236382 CXUJTXLHDBTFQW-KRWDZBQOSA-N 400.460 1.661 30 10 HDEE C#CCOc1cn(CCCn2ccnc2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870561513 QORGKVNLCWFVRS-UHFFFAOYSA-N 412.490 1.486 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(NCCNC(C)=O)ncnc2n1CCOC 1875227389 TXWZDQOJIUZMJT-UHFFFAOYSA-N 400.483 1.440 30 10 HDEE N#CCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1881292578 ZKJFWWYAEHISSA-GOSISDBHSA-N 414.439 1.917 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1889659852 YUGNSBLYJOGSQR-CVEARBPZSA-N 404.492 1.137 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 1902585531 RPQWCNLQBXNTMP-UHFFFAOYSA-N 410.320 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1977776618 KMSGLXHYZVPJAE-AWEZNQCLSA-N 424.498 1.895 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 2118168405 LHQGYDJUCWYIHJ-UONOGXRCSA-N 401.872 1.782 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2163555624 LYJJBPYWFKEPJN-UHFFFAOYSA-N 415.899 1.908 30 10 HDEE C[C@@H]1[C@@H](C)N(S(=O)(=O)CC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C 2174783793 GSCVKDUOUPZLCT-HUUCEWRRSA-N 401.529 1.966 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccs1)[C@H]1CCS(=O)(=O)C1 2180116030 UOJBLSLKUAODAQ-DZGCQCFKSA-N 412.533 1.963 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243384884 YKAVTTGEKMGFQN-UHFFFAOYSA-N 406.292 1.400 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2243394213 DQFMZNVRLDJWAG-APIJFGDWSA-N 410.320 1.955 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243429994 KZKDBYBEUZFJFO-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243678896 PMMXHXPAMNAVAO-NSHDSACASA-N 424.332 1.667 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)NCCC#CBr 2244550558 SKFFZFSFEPEWCQ-JTQLQIEISA-N 403.302 1.836 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248396327 XZMWSURIMFBMPV-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE Cn1cc(C(=O)NCc2ccn(Cc3ccccc3)n2)c(B2OC(C)(C)C(C)(C)O2)n1 2255611134 RSVDYZRCRGTZBD-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccn(Cc2ccccc2)n1 2255876661 OHMDGWWPXLSIMD-UHFFFAOYSA-N 422.298 1.289 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1sccc1C#N)NC(=O)OCc1ccccc1 2258163422 DAYFNBRZVZLJMD-CQSZACIVSA-N 423.472 1.829 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258182736 GVHDMRSJMMMIND-QGZVFWFLSA-N 408.476 1.431 30 10 HDEE C#CC12CC(CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2260226436 OGETZJOZHYNNHA-WUJZJPHMSA-N 406.460 1.184 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3C=CS(=O)(=O)C3)sc2Cl)OC1(C)C 2267544365 SYCZYUDAEMQJIV-VIFPVBQESA-N 403.718 1.741 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSC[C@H]2CO)OC1(C)C 2267721418 RDTLKWNPTGSGNN-LLVKDONJSA-N 405.372 1.146 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSC[C@@H]2CO)OC1(C)C 2267721419 RDTLKWNPTGSGNN-NSHDSACASA-N 405.372 1.146 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281976560 CXZOUKXCGSVGEX-CQSZACIVSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3[C@H]4CC[C@@H]3CNC4)cc2Cl)OC1(C)C 2282308182 NXRLWZQCKFWEAG-PHIMTYICSA-N 418.777 1.826 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@](C)(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315814 SVKBKSTZUBWPCJ-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282334022 WHCYYEZOZFATKD-NSHDSACASA-N 402.347 1.226 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CCC(O)CC3)c2)OC1(C)C 2282340286 DICYYJIVHYUFIH-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE COCC(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)COC 2282350740 REOXSZDKUFMAEO-UHFFFAOYSA-N 405.347 1.235 30 10 HDEE COC(=O)C1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282497015 KOJYZFYYKRPRQI-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCCO)C2CC2)OC1(C)C 2282503492 AXXHDGZXRDZJHU-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(CCO)C3COC3)cc2Cl)OC1(C)C 2282827784 DCLHTJUCBFHQEO-UHFFFAOYSA-N 423.749 1.083 30 10 HDEE CCN(CC(=O)N(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851124 XVDHACPDYZRFSM-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870719 WTGNAOIHZPNUJF-XELLLNAOSA-N 419.399 1.330 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282878335 DTEDOCSHSHPSBK-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@@]1(O)[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2285904998 XFULZJWYXKYURV-INJPQVFBSA-N 400.456 1.839 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2COC(=O)C2)c1B1OC(C)(C)C(C)(C)O1 2296240321 BXDJIUYEOZMZLL-NSHDSACASA-N 401.315 1.258 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@](NCCC#CBr)(C(=O)O)CO2 2324756342 YNMMPCUNBOBQQJ-DLBZAZTESA-N 417.300 1.945 30 10 HDEE CCN(CC)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1 2330743934 WUTSFIXOHQGWPZ-UHFFFAOYSA-N 403.512 1.220 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2342074791 QSFNWMWJOMUYOW-WBTXTPOCSA-N 420.531 1.365 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363694478 OGHOJEJWZMTFQM-CABCVRRESA-N 413.565 1.815 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](N)C#CC1(S(C)(=O)=O)CCC1)C1CCOCC1 2367803803 NHZIYCLEJVELSC-OAHLLOKOSA-N 400.541 1.701 30 10 HDEE C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C2=C1CN(CC(=O)NCC(C)C)C2=O 35969023 GFQAJUFDNMXPJF-IBGZPJMESA-N 400.454 1.947 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 44360696 ICYAPGUZYPEELM-CMTMBAJVSA-N 408.461 1.096 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 71530384 ZMDLKVSZRZNLNJ-UHFFFAOYSA-N 413.477 1.632 30 10 HDEE Cc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443895 YTYBVKZRBFFPJF-GJZGRUSLSA-N 406.446 1.004 30 10 HDEE C[C@](N)(C#N)CCn1cnc(I)c1I 307236835 WGSATHYQUALNMP-MRVPVSSYSA-N 416.004 1.723 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 409505451 AQVREPXORKPKHA-ISTRZQFTSA-N 418.441 1.298 30 10 HDEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 409725656 HXNWGMYYJVRTJP-CVEARBPZSA-N 410.478 1.411 30 10 HDEE N#CCCC[C@@H](NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 432976302 ZCHKBLSJNHOUCR-GOSISDBHSA-N 410.478 2.299 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n(C2CCOCC2)n1 434555279 SYVUAIBAUJVDHG-AWEZNQCLSA-N 417.491 1.720 30 10 HDEE Cc1cc(O)cc(=O)n1CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 437813456 DSXPHOFZWUTUFC-KRWDZBQOSA-N 412.471 1.664 30 10 HDEE Cc1cscc1NC(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 439478231 XEOOZIBPBVYLBB-UHFFFAOYSA-N 418.500 1.400 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1Cl 441990644 XASZPXJBXUJQNR-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C=CCN(C(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1nc(C(=O)OCC)cs1 443866936 GZYQBXZXCXWJCR-QHSBEEBCSA-N 419.459 1.001 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC(=O)N(c4ccccc4F)C3)CC2)n1 463537710 WUPOBQBGGOEQPF-INIZCTEOSA-N 408.437 1.729 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc23)CC1 463698454 NVRIEXLVNXXNIN-UHFFFAOYSA-N 424.442 1.921 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCn2c(CO)nnc2C1 471036218 XJKBATAOBVQJAI-LBPRGKRZSA-N 400.508 1.815 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474689519 XGILLIOKXMBKPP-WOJBJXKFSA-N 403.479 1.932 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@]2(CCOC2)O1 478337529 IMIXNZBRELUOIZ-ZSZQSSIHSA-N 407.492 1.022 30 10 HDEE CN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)CC1 488894493 WFDMTAUVVDMZQC-UHFFFAOYSA-N 416.478 1.563 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 507730092 CRZYBRFNHBRYDS-MSOLQXFVSA-N 403.571 1.782 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508885851 UOKJOTCVWURJBX-KRWDZBQOSA-N 404.540 1.788 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 508907009 KGJGIVUXPDHQEY-FQEVSTJZSA-N 401.515 1.868 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)Cc1ccc(OCC(=O)OC)cc1 508908724 VQOYGMLEXGKLKN-QGZVFWFLSA-N 402.451 1.740 30 10 HDEE CCn1c(=O)c(C(=O)CSc2cc(C#N)ccn2)c(N)n(Cc2ccccc2)c1=O 515289391 HCELAYKIXFEEFL-UHFFFAOYSA-N 421.482 1.902 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)CC1 524496207 JHSLCEMOHWFEDS-IBGZPJMESA-N 414.485 1.278 30 10 HDEE CO[C@H](C)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 525411516 UAUNRQRYHXBGNW-QGZVFWFLSA-N 422.551 1.136 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 530481235 AFKCOFBDDZQAMX-UHFFFAOYSA-N 401.444 1.972 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OCCOC)c3ccccc3n2)CC1 533924012 TYBDNLJNYWJCQQ-UHFFFAOYSA-N 412.490 1.320 30 10 HDEE Cc1cc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)nn1-c1cccc(C#N)c1 553221201 PKCOYBHFRDIHRI-UHFFFAOYSA-N 401.492 1.454 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1CCS(C)(=O)=O 557417982 UTKYDDIUIDHHSB-KRWDZBQOSA-N 417.535 1.966 30 10 HDEE Cc1cc(C#N)cnc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 558918936 XAIYZHFYDCBCEP-UHFFFAOYSA-N 406.489 1.274 30 10 HDEE Cn1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(C(F)(F)F)n1 565657314 JAKFAQAUQOTVAY-UHFFFAOYSA-N 400.386 1.216 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 576853607 HPKZVMHUIHYMIK-MRXNPFEDSA-N 415.498 1.457 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cnccc2C#N)CC1 590047228 CLHPQLKRRHCVTG-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 685556112 QEMJNPIVKGZNNG-UKRRQHHQSA-N 403.508 1.625 30 10 HDEE C#CCN(C[C@@H](NCCC)C1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 701682145 PUCBPSWVAAUTTK-QGZVFWFLSA-N 401.573 1.897 30 10 HDEE C#CC[C@H](O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 717887268 MXVURBJQTBIXSL-QMMMGPOBSA-N 412.103 1.456 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 731886639 AGYSIRHRLHAUAH-YFJJEWJYSA-N 418.453 1.800 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCN1C1CC1 737197732 HGVPGBJLTNCRQN-FQEVSTJZSA-N 419.485 1.840 30 10 HDEE COC(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1 746680295 JLZLFWNUIKLEQD-UHFFFAOYSA-N 404.444 1.987 30 10 HDEE N#Cc1ccc(C(=O)NS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)cn1 747137798 BDOOGEBNCYGAMA-UHFFFAOYSA-N 400.416 1.034 30 10 HDEE COC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747498212 PBUISUXHPWRCBG-UHFFFAOYSA-N 411.414 1.764 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)n1 760790717 BNPHNSPDQLJPSG-UHFFFAOYSA-N 422.445 1.660 30 10 HDEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCc1ccc(OC)c(C#N)c1 778009018 NTBZZWMRRZAKJI-UHFFFAOYSA-N 409.489 1.344 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCC2CS(=O)(=O)C2)C1=O 786684162 WCJDCNDIZHOYEA-OAHLLOKOSA-N 409.533 1.497 30 10 HDEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cn2ccccc2n1 788427489 DDMCUJDZGJWSGK-UHFFFAOYSA-N 413.507 1.502 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 788998024 MVRXKVHFMXVBTI-INIZCTEOSA-N 405.499 1.684 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CC1 793196382 HMRUOMLRMIGNKZ-OAHLLOKOSA-N 409.464 1.068 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 803699102 QSCYEYGOPUMMBH-UHFFFAOYSA-N 423.513 1.538 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CC1)OCCO2 809884835 XARKFFKXJUUXPJ-UHFFFAOYSA-N 404.492 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C#N)c(F)c1)CCO2 814398061 DNYDJZPHQPTBIW-UHFFFAOYSA-N 411.455 1.708 30 10 HDEE CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814714936 VSJNNQUKOARTOH-UHFFFAOYSA-N 408.480 1.795 30 10 HDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 815415537 UIKWCFFGYKGYHA-AWNIVKPZSA-N 417.487 1.368 30 10 HDEE CCCCCCC[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 918019640 QFVJJCUPYDUKDU-GOSISDBHSA-N 418.604 1.887 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N(c2cccc(C#N)c2)C2CCC2)n(C)c1=O 1130955165 CIELJEPBAFJOFG-UHFFFAOYSA-N 406.446 1.281 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1134052667 LZRPFGUXJHPXDG-LXIYXOSZSA-N 407.879 1.090 30 10 HDEE N#C[C@]12CN(C(=O)CSc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1134429313 XLXXPMKGWPRCKV-XHDPSFHLSA-N 415.334 1.938 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)s1 1135272067 FPAGSAYKMIYCFX-HNNXBMFYSA-N 413.565 1.078 30 10 HDEE C=CCC[C@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1140626093 ASSTUYPNECUUCH-CYBMUJFWSA-N 405.314 1.513 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@H]2CCCN(O)C2=O)C1 1141463772 SQBYLKAGTADDID-FTRWYGJKSA-N 405.451 1.299 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1B1OC(C)(C)C(C)(C)O1 1142770503 AFOWCLLVUSYMDF-MSOLQXFVSA-N 400.328 1.887 30 10 HDEE Cc1ccc(C(=O)N2CCc3nc(C(C)C)ncc3C2)cc1S(=O)(=O)NCC#N 1148528567 FBIUSUOISQOCPW-UHFFFAOYSA-N 413.503 1.909 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)CC1 1152023758 ROYCOTUJFZOFOG-UHFFFAOYSA-N 411.393 1.684 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 1154135020 DUDMNRYUVDWFNY-AWEZNQCLSA-N 407.467 1.604 30 10 HDEE Cn1cc(I)c(C(=O)NCc2ccc(C(=O)NO)cc2)n1 1155852824 FWGAUQPSXMNZPR-UHFFFAOYSA-N 400.176 1.074 30 10 HDEE C#CCN1CCC(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 1155873155 KVFNNVHWSZJDJW-UHFFFAOYSA-N 412.490 1.408 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)CC1 1155873236 MHTNWLDWOBJMII-GOSISDBHSA-N 403.548 1.761 30 10 HDEE Cc1ccc([C@@](O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(F)(F)F)o1 1179652705 SAVQPEUHNJPLGP-GLQYFDAESA-N 406.382 1.125 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(Br)ccn1 1183598816 CQKCTLUVSASXPD-LLVKDONJSA-N 423.292 1.699 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1212416017 VKFGCXYNKBJOSV-UHFFFAOYSA-N 420.487 1.279 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 1223655467 OKFQTUHUXPMJND-MRXNPFEDSA-N 410.312 1.859 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286279425 MFXUOQOZAORAPN-BHYGNILZSA-N 400.479 1.960 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286396999 ZXBSJCDULFZMMO-IRXDYDNUSA-N 402.520 1.935 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1286397023 RBBQEQIERLPMHI-HNNXBMFYSA-N 408.549 1.746 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCOC1=O 1286402466 DFHCGQPDGDKOFQ-UHFFFAOYSA-N 423.473 1.877 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286416135 VVRHOYIOHQYVKI-LJQANCHMSA-N 412.515 1.795 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1286445814 BVHJCTMKQIOGRM-INIZCTEOSA-N 416.503 1.459 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCN(C)C1 1286460860 RKVOVJHQWQSVQG-QFIPXVFZSA-N 409.490 1.844 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)C(C)C)CC1 1286490398 TUWPFIIXIIQIMU-SFHVURJKSA-N 413.526 1.315 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1286496154 OMXCHHLEOYCOIV-YOEHRIQHSA-N 410.569 1.385 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C2CCOCC2)C1 1286504808 QHAPTZQWKOEFRP-IRXDYDNUSA-N 403.552 1.849 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286666174 HJJBRSBEURRRER-CVEARBPZSA-N 402.543 1.981 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1286692332 DTTOLVIWMNEIQC-UHFFFAOYSA-N 412.498 1.743 30 10 HDEE CN(C)CCSc1nc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cs1 1290527241 TZVPZBZKZCBMTC-UHFFFAOYSA-N 416.576 1.955 30 10 HDEE Cc1nnc(N2CCC(N3CCCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290797191 DLNAGEMCCAJPHO-FMQUCBEESA-N 413.526 1.568 30 10 HDEE Cc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290803266 GURIBQACYMLFET-IJYGLTAASA-N 409.450 1.166 30 10 HDEE O=C(N[C@H]1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)OCc1ccccc1 1293033132 TVJDOCVNAMLZAM-VFCVWQGGSA-N 412.446 1.334 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1296971443 ACPMECIPWHZVPX-DENIHFKCSA-N 410.522 1.889 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2=CN(C)S(=O)(=O)N=C2C)C1=O 1297274345 VDZFAIJCLPRCCQ-KRWDZBQOSA-N 413.500 1.224 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1300474113 ADBPPVAZJYJNEN-KBPBESRZSA-N 421.460 1.874 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1300485617 XQABKVYOLCYIQE-GOSISDBHSA-N 401.536 1.974 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)COCCO1 1300657160 UUWGWAFXXPJWPQ-FQEVSTJZSA-N 415.450 1.745 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCn1c(O)nc2ccccc21 1300676970 XMLUXXHOZLDWAJ-GOSISDBHSA-N 410.478 1.971 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(C(N)=O)CCCC2)CC1 1300712302 OLZUTBQTYAPURX-INIZCTEOSA-N 414.554 1.803 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1301295835 AQLBBCOFIXJKJT-IBGZPJMESA-N 415.563 1.861 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301510400 WRQPYMSMIUBOSX-WMZOPIPTSA-N 424.505 1.183 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(OC)CCOC1 1302055238 VZTAKGCTXSLCBY-LSTHTHJFSA-N 407.515 1.938 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)CC(=O)c2ccc(Cl)cc2)CC1 1302923632 BHMBNBVSHCZNMX-AWEZNQCLSA-N 411.911 1.161 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H]2CCOC2)cc1 1302991610 JRCQHGIUFWSLNJ-MRXNPFEDSA-N 401.492 1.478 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)CC1 1303011248 FULRLAAFIXTLCP-INIZCTEOSA-N 407.540 1.615 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1303898979 LAOGGOFMYYBBNQ-KRWDZBQOSA-N 413.503 1.643 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)n1 1304755789 GFRBAVSWBCZAKK-GOSISDBHSA-N 405.528 1.314 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305637111 FBFPGQIGINWEEV-HOCLYGCPSA-N 422.555 1.225 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1306245188 GLUMNWFFQBJTOR-INIZCTEOSA-N 409.494 1.304 30 10 HDEE C=CCN(C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1307537924 NSUSIPGXIYKKRE-CTNGQTDRSA-N 422.547 1.825 30 10 HDEE C#CC[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1312322335 QAPMZZUZZFEJGR-UISNHOIMSA-N 418.515 1.949 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 1358084493 DOKOIQPVJRTBDM-VFWWHICCSA-N 422.507 1.251 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1358927773 JGNSNACIFHRJAN-OALUTQOASA-N 409.490 1.927 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358945477 IMEBSULBXCOABT-DOTOQJQBSA-N 402.524 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1358974431 DJGZLXXQUZLIDS-UHFFFAOYSA-N 400.446 1.064 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1358982338 SGHKGXKDZWPYRK-MRXNPFEDSA-N 424.530 1.257 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCC(=O)N(C)C)n1 1359027570 OCCSKTWUIBJSPE-UHFFFAOYSA-N 415.542 1.537 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1 1359037787 XKRPVXUJJYDUNN-UHFFFAOYSA-N 422.599 1.094 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCC2)CC1 1359043974 PONHADPTKKMYLJ-UHFFFAOYSA-N 422.537 1.187 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)OC)C1 1359048225 JGPXWRTYVOLTNX-HNNXBMFYSA-N 421.567 1.952 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1359068824 PXAYTRUTYMFYQJ-YKNSSVCLSA-N 419.489 1.802 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1359273602 HSDWVHVICZKFPS-MRXNPFEDSA-N 422.555 1.003 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359291233 IXRDJPUJIDHTBD-BDXSIMOUSA-N 421.542 1.556 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1359305800 NARXWWGLSAPMKH-LUQKVYGDSA-N 419.526 1.236 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)C1 1359319931 JAYFPKDOMPNSSA-JKSUJKDBSA-N 410.540 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)C(=O)C1 1359332538 ZZCMKLTVHYGWML-UHFFFAOYSA-N 407.540 1.348 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1359631784 NTWBAULMYOSEDO-GOSISDBHSA-N 423.521 1.900 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOC(C)(C)C 1360692925 BWGRODNHFHEAEL-KDOFPFPSSA-N 412.560 1.833 30 10 HDEE N#Cc1ccc(OCC(=O)NCCNC(=O)c2cccnc2)cc1Br 1441408195 WQAQYAXVEYHITA-UHFFFAOYSA-N 403.236 1.641 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1441436812 VPMMEWWEFFFTRI-UHFFFAOYSA-N 402.407 1.015 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC#N)CCN3CCOCC3)n[nH]2)c1C 1442499618 WSXWQZBBXYMZHE-UHFFFAOYSA-N 411.510 1.764 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1445692540 SBKLMVSLCHBYIU-HNNXBMFYSA-N 418.881 1.152 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1449427509 SIRGRSPXXRFWEB-CABCVRRESA-N 408.476 1.067 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(C)nc1Br 1455350077 NUYGYRIFJZAQGF-SECBINFHSA-N 412.269 1.360 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1456211165 JSQJODKUWABIBO-JVPBZIDWSA-N 411.524 1.420 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1457950992 ONYJRNAUGGTOHO-MLGOLLRUSA-N 418.437 1.917 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1459930164 NEOACFQIHQCNQQ-KRWDZBQOSA-N 403.479 1.945 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1463086660 FGZCAURVKPGLFR-FQEVSTJZSA-N 420.535 1.682 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)[C@@H]1CCS(=O)(=O)C1 1464385176 SDTXTAKWYNODIA-QGZVFWFLSA-N 401.488 1.964 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]2C[C@H]21 1464920860 BIZGMNZOKMUAAY-LVDHPZEJSA-N 404.467 1.178 30 10 HDEE CN(C)CCN(C(=O)c1cccc(C#N)c1Br)[C@H]1CCS(=O)(=O)C1 1465665791 IHZQQRVBZZTTTE-ZDUSSCGKSA-N 414.325 1.512 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1469282189 OIUJWJXFOVNSOV-JKSUJKDBSA-N 406.483 1.749 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccc(Cl)cn23)c1 1470345778 VHEODYJRYJZSCI-UHFFFAOYSA-N 405.867 1.777 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H](CC(C)(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360287 FVIDNAQKHCORCZ-CQSZACIVSA-N 421.498 1.608 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](n2nncc2I)C1 1471497808 PBNZXAXNOGMAAT-OLZOCXBDSA-N 413.263 1.144 30 10 HDEE C#CCN1CCC(NC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1471938287 IKBSGFMUFJLHMZ-HNNXBMFYSA-N 401.511 1.962 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2c(s1)COCC2 1472002458 YIOGYXJGCTXODH-UHFFFAOYSA-N 420.516 1.351 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@](CO)(C(F)(F)F)C3)C2=O)cc1 1478568710 QPSZYTDBUSIUAX-YJBOKZPZSA-N 410.396 1.615 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 1479312571 ITRALQPFYYFMHC-TZIWHRDSSA-N 409.534 1.217 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)C1 1479312798 JTDFCSQLGBZHSA-MHJFOBGBSA-N 403.571 1.106 30 10 HDEE Cc1nn(C)c(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1492721668 FWRANSDWGIKXJR-DOMZBBRYSA-N 405.528 1.317 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COCCO1 1505324795 CBVYPIDIKXKLLO-INIZCTEOSA-N 411.466 1.471 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1507612671 YMCMJZZUBMGGSX-UHFFFAOYSA-N 420.473 1.964 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1507728942 BTRHYVFHFAGRIN-XMSQKQJNSA-N 401.555 1.960 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507931195 WXSOAGFOQUKHJS-UHFFFAOYSA-N 424.553 1.836 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1507976907 NLKZPSZYRWQJGM-OAHLLOKOSA-N 405.524 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC(C)(C)C2)C1 1508120714 AOVFLLFUBTXKIR-IAGOWNOFSA-N 418.542 1.121 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NC)C1 1508132277 SOPNJPOWSNUKJZ-KRWDZBQOSA-N 415.542 1.693 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1512421134 QMYNAHADAABKCK-BBRMVZONSA-N 409.450 1.030 30 10 HDEE CCCNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1515071129 HVFLWZMQVXMTCB-GOSISDBHSA-N 405.503 1.992 30 10 HDEE CCCNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1515071131 HVFLWZMQVXMTCB-SFHVURJKSA-N 405.503 1.992 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1517321494 YKDQLMGTIIGGKJ-IBGZPJMESA-N 407.478 1.955 30 10 HDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1518691148 LDTGKWPKIDSOKV-HNNXBMFYSA-N 405.524 1.970 30 10 HDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CC2)CC1=O 1519219597 GWRRBBJTLPUBIW-KRWDZBQOSA-N 424.505 1.822 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCOC2)cc1 1521109805 FGDLQIPPNHVJOD-QGZVFWFLSA-N 410.478 1.482 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)c1 1531776216 VRXZHPFIVUBBQX-UHFFFAOYSA-N 421.544 1.411 30 10 HDEE Cc1nc(=NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)n(-c2ccc(C#N)cc2)[nH]1 1532534110 ZXBRLVCQMOUPCV-UHFFFAOYSA-N 418.335 1.893 30 10 HDEE C#Cc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nc1 1537529966 WADDAQAWDMWMCO-OAHLLOKOSA-N 407.492 1.217 30 10 HDEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c21 1538765916 OLCPAHKEJZRYJD-RNODOKPDSA-N 416.503 1.798 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC(C)(C)O)c1 1539039396 BQDVAPWSKQQLCS-UHFFFAOYSA-N 407.478 1.506 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539066258 SJBXCHGTQBPKRY-MSOLQXFVSA-N 400.527 1.334 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1539117031 PKPZOQXLAAPEOF-AWEZNQCLSA-N 414.539 1.383 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cc(C)cc(C)c1 1539148356 JXWZLVHHIZYMPM-INIZCTEOSA-N 405.524 1.654 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)OC(C)(C)C 1539384130 XLBVVMWXJWXOBO-HOTGVXAUSA-N 407.515 1.986 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1539750538 ANQQNNOBQHKGIY-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NCCC 1540051895 SOUHXVLJGHYWNV-UHFFFAOYSA-N 419.555 1.695 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540158616 MXBOLGZCWBBUNO-SFHVURJKSA-N 423.926 1.722 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 1540523039 RURZWUFEVKXGIG-NRFANRHFSA-N 415.494 1.628 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](Cc2ccccc2)C1 1540873826 LESMWMFFWQWGJI-LJQANCHMSA-N 422.533 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)noc1C 1540901351 ATNFWRYIGGYKAJ-OAHLLOKOSA-N 422.511 1.071 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1541803014 BGYIRJNYTFHQQT-HBUWYVDXSA-N 407.496 1.419 30 10 HDEE CCCCNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1543207599 QOLFJPJYLQBUOO-UHFFFAOYSA-N 409.483 1.891 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H](C)CC)C(=O)OC)ccc1F 1557189670 ZQBVIKCCONIAAH-SWLSCSKDSA-N 400.472 1.998 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)CC2=O)cc1Cl 1557238949 HTQHPAJHEIYUKT-DOMZBBRYSA-N 414.853 1.851 30 10 HDEE CCOC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(F)(F)F 1557387970 MSBLFRDIPYXYJP-ZDUSSCGKSA-N 421.397 1.411 30 10 HDEE C#CC[C@H](COC)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1557770470 XZUZASSMEONSNN-CQSZACIVSA-N 406.426 1.918 30 10 HDEE C#CCN1CCN(C(=O)CN(C)[C@@H](CO)c2cc(OC)ccc2Br)CC1 1559851746 SNEGVANEICZHGH-SFHVURJKSA-N 424.339 1.200 30 10 HDEE C#C[C@@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 1561601330 KYFAKDPAWATDKA-OAHLLOKOSA-N 415.309 1.797 30 10 HDEE C=C(C)COc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1562325106 PAYJFWLKOFFZBB-FXUPRZHBSA-N 421.519 1.974 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1CCOc1ccc(F)cc1 1566317611 CYYZOQXHSNFAIG-UHFFFAOYSA-N 400.414 1.003 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1583980176 LAKGSEULSOTUMF-MRXNPFEDSA-N 414.487 1.806 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2ccc(S(C)(=O)=O)nc2)cc(OC)c1OC 1584302844 SKRYOSZQLIHKHE-CYBMUJFWSA-N 405.432 1.506 30 10 HDEE CN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)c1cc(C#N)ccn1 1585244650 MHOHQXGLKSAXHT-UHFFFAOYSA-N 423.292 1.999 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 1585593163 BREJKWCTEMMIER-LPHOPBHVSA-N 416.522 1.912 30 10 HDEE COc1cc2nc(C(=O)NCc3cccc(OCC#N)c3)c(=O)n(C)c2cc1OC 1585943215 QPWBHRZAINPDEK-UHFFFAOYSA-N 408.414 1.783 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1589599941 PNLWLEUMUSSLLP-JKSUJKDBSA-N 421.571 1.750 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593649996 IWHDVXQKVZTECB-UHFFFAOYSA-N 411.510 1.414 30 10 HDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594600007 FXBMCENKOHWOLL-UHFFFAOYSA-N 423.521 1.624 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1595555573 CUFGHOSCKBKNLC-SFHVURJKSA-N 420.521 1.813 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc2ncc(I)n2c1 1595583835 HHWCMSAJUZLHLX-UHFFFAOYSA-N 412.187 1.468 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@](C)(OC)CC1 1595798440 PMDANCRTMQVQNS-QFBILLFUSA-N 412.556 1.778 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1596830986 HHPFVRSQCZPVLO-CIICLBFASA-N 413.569 1.077 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1598449264 UCQQHKSKKOYCBU-GOSISDBHSA-N 403.435 1.867 30 10 HDEE CC(C)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1598558787 JQPKPGDNGMPZNY-UDJKBAMHSA-N 424.509 1.655 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1608578701 DLESWXXZUOPEJU-MRXNPFEDSA-N 403.531 1.408 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1608579071 JNPBUDVACTWGDY-DJIMGWMZSA-N 401.515 1.018 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOCC(F)F 1611686404 GFALKBLIEYYTOU-NHYWBVRUSA-N 424.449 1.002 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1613342295 HAYFXHYVBSLBLK-SJLPKXTDSA-N 411.510 1.800 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3noc(CC)n3)CC2)c1 1616057279 WWNXCKMKENXOCW-UHFFFAOYSA-N 416.503 1.387 30 10 HDEE CN(C)[C@@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCSC1 1617651358 DGJDZFAIYKKGEV-OXQOHEQNSA-N 417.583 1.797 30 10 HDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1617874143 UZJMSBJWIMMWMN-UHFFFAOYSA-N 416.445 1.927 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1620024138 DODYDXGAOLVOGE-SJORKVTESA-N 407.515 1.816 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CCC1 1620148696 ATHVADMTYAMDRM-OAHLLOKOSA-N 420.539 1.327 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CC(=O)N3C)s1 1623384769 NHDROHIBHJQKHC-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 1630018058 LXNYCNKKVJYETA-BTYIYWSLSA-N 414.462 1.986 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 1634640367 CPDCCJBMQQRLMX-IMTHGLKYSA-N 412.534 1.756 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc2cccc(F)c2[nH]1 1636598878 BCCKYPIAPJZBSR-NSHDSACASA-N 401.423 1.557 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C1(c2cccc(C#N)c2)CC1 1637698867 GTRHQQPBHNBKTO-UHFFFAOYSA-N 412.515 1.832 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1638172470 VLJAPOIKNVTQAL-IHWFROFDSA-N 418.563 1.987 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)/C=C\c1ccccc1C#N 1641580569 YJFPXMXZGVZNGS-GEPASTNRSA-N 401.463 1.686 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 1643570712 KGCBTYTVHQSQRZ-KRWDZBQOSA-N 400.456 1.617 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1643596505 KVEKJMCUNLFNFA-INIZCTEOSA-N 403.527 1.521 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 1644822089 XUKRWPZHSQADSO-TYNCELHUSA-N 419.425 1.793 30 10 HDEE CC(=O)N[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1648028661 JKNDHYVAMWIBOJ-MRXNPFEDSA-N 415.837 1.125 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1648119288 SSAWHBLNNIYXQS-ZIAGYGMSSA-N 419.551 1.703 30 10 HDEE NC(=O)CC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1648522558 URDHMFHKJYZSIE-UHFFFAOYSA-N 406.508 1.200 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC 1648779642 NZIANNDGKYGNQQ-WFASDCNBSA-N 418.899 1.553 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1649063366 HUYZNPRMPTUYFN-OAHLLOKOSA-N 419.482 1.459 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2sc(C)nc2-c2cccs2)CC1 1650849002 QCBSQMKBDRIGOY-UHFFFAOYSA-N 424.573 1.334 30 10 HDEE C=CCCn1cc(CNc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)nn1 1651055528 GWFLLHSUTYQUHO-UHFFFAOYSA-N 420.539 1.411 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221050 MBJZTPXVLZNGKB-UHFFFAOYSA-N 416.455 1.916 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(n4cc(C(C)=O)nn4)C3)ccc2c1=O 1651262471 AYAQBUUQPVMGEU-UHFFFAOYSA-N 410.459 1.362 30 10 HDEE O=C1C=COC2(CCN(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)CC2)C1 1654943171 DKCIBGPNPOKEGI-UHFFFAOYSA-N 414.430 1.959 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1664765167 ZWJXZEGCMFHXRY-CYBMUJFWSA-N 402.900 1.757 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3[nH]nnc3C(=O)NC3CC3)CC2)c(Cl)c1 1665265672 CXVUCORJUHZRBK-UHFFFAOYSA-N 414.857 1.576 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 1672345325 FFUOLVQCUQWBRY-UHFFFAOYSA-N 409.508 1.660 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1672426861 KZZQNYFTVJGKAF-BJLQDIEVSA-N 419.497 1.734 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc(C#N)s1 1682140237 CYPQGEAUUCMPIW-UHFFFAOYSA-N 407.521 1.545 30 10 HDEE C=CCCCN(CC)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1684049902 ZJCFIXKBGQWIQC-UHFFFAOYSA-N 410.320 1.909 30 10 HDEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1684557166 FPAGTWJBBJLWKU-CALCHBBNSA-N 416.588 1.660 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1684746900 QJJWWQLNDLVMTD-LAUBAEHRSA-N 409.534 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689824470 QNBLNJKUZMCINT-HNNXBMFYSA-N 415.519 1.424 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1689865491 WAJMYAVULJNUSC-YESZJQIVSA-N 400.479 1.864 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689955602 NRFPEHCICAHDTL-HNNXBMFYSA-N 403.508 1.305 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1689989340 DLPHCCVYDKJLDI-JKSUJKDBSA-N 410.515 1.691 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1689996248 FYAFJOHJIBVPCS-HNNXBMFYSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC)cc1 1690012248 WNWGCAYWJBEPSG-UHFFFAOYSA-N 401.474 1.549 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1690104534 ZAWIZCKCOBJGSQ-OAHLLOKOSA-N 421.523 1.173 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)CC1 1690124044 DKFYGPHMBNBYLQ-QGZVFWFLSA-N 417.535 1.194 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1 1690170824 REAUBNVYCKGQTH-DLBZAZTESA-N 403.552 1.991 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1690512076 LVLYUTVTFXGMFG-BBWFWOEESA-N 421.498 1.236 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1690527185 KUVQHWTVHSMBDZ-CYBMUJFWSA-N 412.541 1.046 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690645941 BLZNLRITJIAFGG-UHFFFAOYSA-N 410.482 1.302 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1690669193 XODGBGXZZRWIQN-LJQANCHMSA-N 421.505 1.429 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690750423 JATQLIXEKAATGA-CQSZACIVSA-N 408.528 1.207 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOCC2(C)C)CC1=O 1696880183 GNWYBPYFMBQKBQ-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1705510550 RWRZUQFQPVMQCW-WMZOPIPTSA-N 423.583 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705580957 QBLHMEJANXFNPC-SFHVURJKSA-N 414.473 1.444 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CC=CCO2)CC1 1705648909 CSYSCZHURPWFMT-GOSISDBHSA-N 408.506 1.595 30 10 HDEE C=CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1705849481 NTHCNDDQLCYEJF-UHFFFAOYSA-N 410.522 1.994 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705888972 RUXFHOCCRKBGLN-QGZVFWFLSA-N 410.478 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1705900914 UGJYPKIMIOBTIU-CQSZACIVSA-N 411.470 1.056 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705924160 TXIHVPNMFAGUMC-GJZGRUSLSA-N 403.449 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705932194 OQJKUGQNTFNXRC-DNVCBOLYSA-N 421.523 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(F)(F)F 1705938201 PZNHZWPYQAZOJQ-UHFFFAOYSA-N 420.461 1.739 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1706185990 HZZSXBPGYVHMLZ-OAHLLOKOSA-N 422.555 1.573 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1710482140 AVVWNMGEJBTYNM-RXVVDRJESA-N 418.542 1.535 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1=O 1712471056 YTSDPSGUXOKMPL-QZTJIDSGSA-N 416.526 1.407 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712875874 ITHVGNURFTXHTB-QQSJCBEGSA-N 410.413 1.242 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCNC(=O)c2cc[nH]n2)c1 1722307488 OROBCKWDHHKGCI-UHFFFAOYSA-N 420.477 1.050 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1722324456 SBQSXSTZXFASHP-FRRDWIJNSA-N 423.461 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCCN1CCC[C@H]1CO 1722380596 RIGROJCIESKIPA-FQEVSTJZSA-N 406.534 1.958 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1 1722384556 VYIHUYILUCYQIG-UHFFFAOYSA-N 400.479 1.658 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCNC(=O)C(C)C)CC1 1722433758 FTQUWEADPWKKJC-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2csc(COC)n2)CC1 1722438658 XAJINQFCNXIAGD-UHFFFAOYSA-N 412.523 1.085 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722534931 SMKMSUMSCMYTRP-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=CCn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722690233 BSFWNVIZGKFNLX-NRFANRHFSA-N 413.526 1.930 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1723778708 DCRGQCWUXBORLM-AWEZNQCLSA-N 402.524 1.951 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CCO1 1731190230 OTUNZPSYOQEPFK-IRXDYDNUSA-N 401.515 1.224 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740598188 HKYYJYUUUTVZBF-SZMVWBNQSA-N 416.526 1.456 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1740608914 JNGHFIMXOGJHDI-HXUWFJFHSA-N 422.533 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCCN(C)S(=O)(=O)CC 1740648269 IFIZTWCKBZPVHK-UHFFFAOYSA-N 417.535 1.981 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740673853 JOYSNLLWIPWKTD-HDICACEKSA-N 416.570 1.748 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)C1 1740744884 HFWSTPFOSWQWFL-SNVBAGLBSA-N 411.272 1.934 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740758923 DCZNMXYTYJLHKZ-CDXJDZJCSA-N 410.522 1.912 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(C)(=O)=O)CC1 1740786516 GKAXFKZXHSDQIY-HOCLYGCPSA-N 413.544 1.096 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1741002272 KJQKHNQKXJFWQX-HNNXBMFYSA-N 401.602 1.868 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1741571805 HFJHGKMZFAQSSM-UWVAXJGDSA-N 406.506 1.581 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747687945 CWOMXZSDRPSHJC-JQIJEIRASA-N 421.383 1.865 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCOC[C@H]2C)n1 1748971136 DVVZYMNQWBDZGN-MSOLQXFVSA-N 400.527 1.996 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(N)=O)cc1 1749064618 DEEXCCMMURVRMF-IIBYNOLFSA-N 407.478 1.760 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1749629871 JNAMKYSLXIAYCH-OAHLLOKOSA-N 424.548 1.406 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749664372 LPEOXHPAEXIVIF-HNNXBMFYSA-N 403.508 1.179 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CCN1CCOCC1 1749734068 DSZDOXULINVVCS-UHFFFAOYSA-N 413.588 1.236 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)CC1 1750388452 FKDCIHDJLHWOIM-QGZVFWFLSA-N 413.526 1.666 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1751097022 BWCVHKOWKDPUNA-INIZCTEOSA-N 419.493 1.768 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCN(C)C2)cs1 1751774282 UTAHFTNWYFHQIM-FQEVSTJZSA-N 415.567 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1760098417 SEZHJMNYTXZLOD-CABCVRRESA-N 417.535 1.524 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O 1760306269 AJKUFTSNMMUIOS-GFCCVEGCSA-N 422.349 1.414 30 10 HDEE C=C(C)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760349208 DHSCRNJAYLKUSD-OAQYLSRUSA-N 418.542 1.889 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760386820 KKEOPIJUOFVWAB-GOSISDBHSA-N 413.906 1.960 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760400773 NDOLWNOJWPLCJA-HZPDHXFCSA-N 407.540 1.456 30 10 HDEE C=CCN(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1760460400 DXKQGOIPIMJFSF-UHFFFAOYSA-N 400.508 1.796 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCCCC2)C1 1760541454 CDXQFQXLCJEIFG-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cscn1 1760556422 CYYRYMYECDTIFK-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1763389194 NELJNKRTUSBBQX-FCHUYYIVSA-N 424.505 1.749 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1767428814 KTXFGXMSMKECGN-HXUWFJFHSA-N 414.466 1.145 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1771365578 BPDKMBZVXZFYGO-IRXDYDNUSA-N 400.508 1.745 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1771532559 FSXYJKXJDDUWCY-HNAYVOBHSA-N 414.466 1.693 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCN(C)C1=O 1848761332 QIPCDGSHOUOORS-OAHLLOKOSA-N 417.890 1.393 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 1849047015 NFXCZRBDDLSQAG-UHFFFAOYSA-N 406.442 1.996 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(NC(=O)Cn4ccnn4)cc3)CC2)cc1 1851366621 LXTCOSRBPOHTRE-UHFFFAOYSA-N 415.457 1.751 30 10 HDEE Cc1cccn2c(=O)cc(COCCN3CCN(c4ccc(C#N)cn4)CC3)nc12 1852458764 TXKVMUPSFVCRGX-UHFFFAOYSA-N 404.474 1.608 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@H]4CCCC[C@@H]43)ccc21 1853771115 IDPXPZHSJVGFMN-IRXDYDNUSA-N 403.460 1.348 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854023795 GMKXOZHMHMBVMX-OAHLLOKOSA-N 413.455 1.385 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C1=O 1854241681 FQAGYLGLKDWRRZ-GOSISDBHSA-N 408.462 1.058 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccccc2-n2cccc2)C1=O)[C@@H]1CCN(C)C1=O 1854283168 XZIVFYFFDGIGDJ-UXHICEINSA-N 406.486 1.937 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccncc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516587 KDYGIUHMAZPCCU-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638168 IIKBLQXESRKBLZ-GXFFZTMASA-N 421.372 1.597 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)C3CCOCC3)C2=O)CC1 1854831833 UEPKJFFHWGYTNP-IBGZPJMESA-N 411.506 1.410 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)CC(F)(F)F)C1=O 1854907470 IAYTTYCZBUGZED-CQSZACIVSA-N 410.400 1.329 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C(=O)C2)C1 1854949616 IQTOJDGIEWEEKI-IAGOWNOFSA-N 421.542 1.291 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nnc(C4CC4)s3)C(C)(C)C2=O)CC1=O 1855071255 YRBRFQGGBFGALQ-AWEZNQCLSA-N 417.535 1.399 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)c3cccc(-n4cnnn4)c3)C1=O)CC2 1855101079 UMXBRODSFXJXDG-SJLPKXTDSA-N 405.462 1.419 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C1=O 1855994995 UNQAQBSAHLEDCN-MJGOQNOKSA-N 403.523 1.596 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3cncc(Cl)c3)C2=O)CC1 1856174742 DNIKPRPDFMEOQW-GOSISDBHSA-N 424.892 1.955 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)cc1 1856360222 DHAYDDOUNGCQGE-AWEZNQCLSA-N 412.471 1.577 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)CC)c3ccccc32)CC1=O 1856492116 FHTMLINBFRLSRD-GJZGRUSLSA-N 419.503 1.529 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ncoc2CC(C)C)C1=O 1856757323 UTXOGBFOSWLKES-HOTGVXAUSA-N 402.495 1.723 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C4CCCC4)CC3)ccc21 1856936546 BNPSYAPUQMXMPU-UHFFFAOYSA-N 416.503 1.265 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3c(c2)OCO3)C1)[C@@H]1CCN(C)C1=O 1857055620 GTLGBEITZOZQPF-DOTOQJQBSA-N 413.474 1.513 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@@H]1CCN(C)C1=O 1857252479 FZLAELIBEBEUSY-NVXWUHKLSA-N 400.479 1.106 30 10 HDEE Cc1nnc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)o1 1867031058 FIAPHOOUMLIRSV-OALUTQOASA-N 419.441 1.888 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)cc2OC)c1 1870098651 PCVSLSPQOYUKFH-UHFFFAOYSA-N 415.431 1.966 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4ccnc4)ccn3)CC2)CC1 1889517159 ZNRZIZRZRJNTLU-UHFFFAOYSA-N 422.533 1.139 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2011939023 GZVVBZONDHTVEB-ZLOLFTAESA-N 422.331 1.909 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2012916244 WWOLEGSSZOSNPQ-INIZCTEOSA-N 420.315 1.488 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C#N)C1 2174771504 NQAIGNSGRJGLGJ-IYJVBRSBSA-N 422.573 1.869 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(C#N)CCOCC1 2174784333 MSMGSGGMVJYSJB-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174789471 QWKRQMFBGBHSDT-XUWVNRHRSA-N 400.545 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 2181131160 QQWUWSUIPCQSLP-ZIAGYGMSSA-N 402.517 1.243 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815386 ZTNCNMJUGIIWSI-FKIZINRSSA-N 418.303 1.448 30 10 HDEE Cn1ncc(C(=O)NCc2cnn(Cc3ccccc3)c2)c1B1OC(C)(C)C(C)(C)O1 2255542475 SIYCEXUJURNAGL-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)s2)OC1(C)C 2255752202 GTZQBIAJFXIOHG-LBPRGKRZSA-N 415.342 1.573 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@H]4OCC[C@@H]43)cc2Cl)OC1(C)C 2267355692 HYISSTKSSCOAPL-FXAINCCUSA-N 405.734 1.766 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CNCCSC2)OC1(C)C 2267720803 MRTRYEQERKIMFX-LLVKDONJSA-N 404.388 1.031 30 10 HDEE CC[S@@](=O)(=NS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(C)C 2282294109 RZWCROOXFCRDJD-VWLOTQADSA-N 402.347 1.966 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCC[C@H]3C3OCCO3)cc2)OC1(C)C 2282491819 MNTDUCXSIFRBQO-KRWDZBQOSA-N 423.340 1.653 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCNCC2(F)F)OC1(C)C 2282494948 FNQKTPSPHUIYQN-LBPRGKRZSA-N 408.301 1.323 30 10 HDEE CNCCCN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282497979 XHENOBYMLTTZAJ-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)NCC2CSC2)OC1(C)C 2282501491 XRZBSZWUEXLBQA-UHFFFAOYSA-N 405.297 1.905 30 10 HDEE CO[C@@H]1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282504348 NMNBVLOQFIBXNW-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC(C)[C@H](O)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282509704 NWBLONVCCYBIAA-AAEUAGOBSA-N 404.363 1.267 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cscc2Cl)n1 2282510235 WEARCNVQKFLMEL-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852660 SBWNLHZTCAKUAN-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CO)C3CCCC3)c2)OC1(C)C 2282856374 RDPKPHIBUQWUHI-AWEZNQCLSA-N 401.359 1.877 30 10 HDEE CC1(C)C[C@@H](CN)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859377 LQERBTOESDJIBX-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE C[C@H]1CNCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282867352 XOXWBPSOUCDSON-JSGCOSHPSA-N 400.375 1.465 30 10 HDEE CCNCCCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282876815 JHBWQZYAKUUMKV-UHFFFAOYSA-N 402.391 1.942 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284379293 XJSUPCKDGZRTML-SNVBAGLBSA-N 401.677 1.626 30 10 HDEE CN(CCCCC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284403802 SVXFEGSVUAPJIN-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C[C@@H](CCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414282 GABBNTPDNCLQCZ-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3snnc3C(=O)O)s2)OC1(C)C 2284415694 PZRCHIOSOGKXQG-UHFFFAOYSA-N 417.299 1.398 30 10 HDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 2285391394 NHCSKJJEVCTRGH-GFCCVEGCSA-N 401.460 1.594 30 10 HDEE C[C@H](NC(=O)CSc1nncn1N=Cc1cnc(N(C)C)nc1)c1ccccc1 2321849398 PECIQMODPHKDRI-AWEZNQCLSA-N 410.507 1.986 30 10 HDEE COc1cc(C=Nn2c(S)nnc2CNC(C)=O)cc(Br)c1O 2321937670 VVIFZHLTPHDYBH-UHFFFAOYSA-N 400.258 1.562 30 10 HDEE CCOc1cc(C=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 2323403759 DZTZMHLWUATMFH-UHFFFAOYSA-N 410.364 1.920 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc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c1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OCC 59449576 QNJFBAFKGMHVFN-UHFFFAOYSA-N 411.480 1.755 30 10 HDEE CCN(CC)C(=O)CN1CCCN(S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 106052202 BTHJOGYKUDVXOS-UHFFFAOYSA-N 412.943 1.776 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 204863493 FQEJDAGNRIBFBI-GFCCVEGCSA-N 406.292 1.652 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCCN3CCO)C3CC3)nc2)OC1(C)C 204876045 SONKEOQMQPJFOO-SFHVURJKSA-N 402.348 1.591 30 10 HDEE COc1ccc(S(=O)(=O)NN=Cc2cn(CC(N)=O)c3ccccc23)cc1OC 254743619 KJTAEMWEKMXFNB-UHFFFAOYSA-N 416.459 1.456 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)n1cnc(C#N)n1 409560124 BGKIRBONUFIULN-NSHDSACASA-N 423.355 1.987 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCO1 409572178 SJVOXWGCECXWDU-AWEZNQCLSA-N 419.429 1.128 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 443336390 RORQWYPZJBHGMH-UHFFFAOYSA-N 418.519 1.856 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469884339 MPWCRKVDZGVFBQ-NWGLXNPWSA-N 424.457 1.563 30 10 HDEE CC(C)[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 471386798 XFQFWIIFTAMKSS-MGPUTAFESA-N 424.505 1.663 30 10 HDEE COc1cccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 475437605 CACJPUBYDKOKIP-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)n2ncnc2n1 475558835 HHVGELVWDBIBIF-UHFFFAOYSA-N 403.512 1.359 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 478344514 PQODEIKAFNKDED-IDHHARJASA-N 407.492 1.022 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)c1 479222124 HJMPGJABRZRCSW-SFHVURJKSA-N 419.434 1.798 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cn(-c3ccc(Br)cc3)cn2)CC1 503628550 QAQVWWXBQQJMEH-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE CS(=O)(=O)c1csc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 505653977 CLGYSZBWLOUWQN-HNNXBMFYSA-N 403.485 1.949 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(=O)N(C)C)CC1 508904441 UJVQXCRCTQJFBS-UHFFFAOYSA-N 421.505 1.683 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(CNS(C)(=O)=O)CC1 510177195 SDIPASVMNVDTTQ-HNNXBMFYSA-N 410.515 1.722 30 10 HDEE C=CCNC(=O)CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 539692587 DSGVAVXWLPGDOC-UHFFFAOYSA-N 404.268 1.939 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN([C@@H]4CCCC[C@H]4O)CC3)CC2)n1 545509402 WEOPEJCRTOLCGC-WOJBJXKFSA-N 412.538 1.553 30 10 HDEE Cc1cc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1[N+](=O)[O-] 546905709 LLBRMUGNBRTUJO-UHFFFAOYSA-N 408.418 1.249 30 10 HDEE CC[C@H](c1nnc(Sc2nc(C)cc(C#N)n2)n1CCN1CCOCC1)N(C)C 552904982 GJKMTCFNBZJVES-MRXNPFEDSA-N 416.555 1.744 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)C2)nc1 557474067 GCNJJWYQEDXEBC-JEWRLFTDSA-N 415.519 1.659 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CCCC#N)CCNC(C)=O 586150367 BSJIHYVAWGUDIS-UHFFFAOYSA-N 422.507 1.253 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CC(F)(F)C(F)F)CC2)c(F)c1 586858876 JWOXVJFGIOQGES-UHFFFAOYSA-N 404.339 1.358 30 10 HDEE CCN1CC[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 619829340 RWWUMFWLRVICCK-KRWDZBQOSA-N 413.457 1.318 30 10 HDEE C#Cc1cccc(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)c1 729552943 KVASNYQNYIZUIZ-UHFFFAOYSA-N 414.267 1.714 30 10 HDEE COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732650487 TWHLLDQODVTZLU-INIZCTEOSA-N 412.519 1.875 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 733257520 SFVKLVNUBNTBBX-OAQYLSRUSA-N 418.497 1.411 30 10 HDEE COc1ccc(C2(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCOCC2)cc1 733890112 HZLXSJVZGCGCFJ-QZQOTICOSA-N 413.474 1.776 30 10 HDEE CN1C(=O)C[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1cccnc1 733927992 KNJSLUPXTJBMKD-NQIIRXRSSA-N 404.474 1.653 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 734429725 WKNGNWYKWODXHF-HNNXBMFYSA-N 401.467 1.446 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F 735080070 DIOTYLZAZLAFEC-BUHFOSPRSA-N 407.345 1.649 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCc2ccc(OC)c(C#N)c2)cc1 746959744 OIOWAKAWWKYKON-ZDUSSCGKSA-N 404.444 1.986 30 10 HDEE COc1ccc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C#N 747065561 ZZLAPQSGVLHXLS-SFHVURJKSA-N 417.425 1.960 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 748063273 LOIDSYRLTWBFPS-UHFFFAOYSA-N 417.494 1.698 30 10 HDEE COC(=O)[C@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)c1ccc(C#N)cc1 750367827 UWCPXRVNOQQQMH-HXUWFJFHSA-N 421.409 1.260 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754351088 NPMOAIRQACIORI-ZDUSSCGKSA-N 416.478 1.165 30 10 HDEE C#CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@@H]1CCS(=O)(=O)C1 754995161 XBJFATQTSYCHDN-SNVBAGLBSA-N 419.228 1.759 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCCNC(=O)c2ccccc2)C1 758435742 RYGFDRMOLLLWGD-DLBZAZTESA-N 415.494 1.865 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Cc2cccc(C#N)c2)cc1 759825632 XQWNQSRXZCGQBO-UHFFFAOYSA-N 400.456 1.505 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc([N+](=O)[O-])c1F 760618663 FSDTWFFXHFIKQB-UHFFFAOYSA-N 405.411 1.820 30 10 HDEE C=CCOCC(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 761163846 PSCOOKYSRVZSNX-UHFFFAOYSA-N 410.217 1.382 30 10 HDEE COCc1cncc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 765612425 MFDBOIMRFZQCIB-UHFFFAOYSA-N 410.249 1.981 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCc2ccc(OCC#N)cc2)cn1 766420429 GWQUKZJPCQMKKT-UHFFFAOYSA-N 413.434 1.339 30 10 HDEE Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 766704231 MWKCGOABHJOMOU-GFCCVEGCSA-N 403.508 1.862 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCc3ccc(C#N)cc3Br)cnc21 778095140 KCDWCGRSRDKDGR-UHFFFAOYSA-N 402.208 1.508 30 10 HDEE COc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(C(=O)N(C)C)cc1OC 780205877 NVZYPYQLOSXFBS-UHFFFAOYSA-N 402.451 1.496 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCCc2cnn(-c3ccccc3)c2)cc1 780215462 SDGWJLZMPRYATK-NRFANRHFSA-N 404.426 1.679 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(F)(F)C[C@@H]1CO 781334096 DQEZULXOFRXKDE-CYBMUJFWSA-N 415.462 1.514 30 10 HDEE C#CC[C@@H](Cc1ccccc1)OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 793374556 MBTICAOBMQNEJS-INIZCTEOSA-N 405.454 1.986 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 800167339 GWNIMSGTISWGFT-INIZCTEOSA-N 409.512 1.766 30 10 HDEE COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C)c1=O 802722026 FNRKTEFPCWJUMT-UHFFFAOYSA-N 405.483 1.467 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)OC)cc1 803569021 DKIPOLOTIAYEEQ-MRXNPFEDSA-N 414.483 1.802 30 10 HDEE C#C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccc(F)cc1 812750110 LBNGBPKEDSKQGL-GOSISDBHSA-N 419.478 1.509 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3(n4cc(Br)cn4)CC3)CC2)c1C#N 1128030620 OQPVTTKOTJOCFW-UHFFFAOYSA-N 418.299 1.397 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ncc(Cl)n3C)cs2)C1=O 1130917507 HIJIWZWBNKOIDM-UHFFFAOYSA-N 408.827 1.112 30 10 HDEE COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(C)(=O)=O 1135889422 HRRLNOIQDUIPJQ-UHFFFAOYSA-N 400.460 1.328 30 10 HDEE N#Cc1cc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)ccn1 1139855762 LDROHMYJLUQBCF-MTCRFPMVSA-N 403.442 1.373 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](CO)Cc3cccnc3)C2=O)cc1 1140069625 BGHAQRGMBVKHRR-HKUYNNGSSA-N 421.457 1.126 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1142627710 WDSGRBWEHINBPM-UHFFFAOYSA-N 414.443 1.960 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CCO1 1157515688 OFFACKNSNONZDI-SFHVURJKSA-N 405.501 1.981 30 10 HDEE COC(=O)[C@]1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC[C@H](C)c2ccccc21 1159568335 GLPKWIRHSUXRBW-YZXWBQGTSA-N 411.458 1.985 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)c1 1164438356 SOIIFZXXBAPAJH-QHCPKHFHSA-N 416.437 1.796 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](O)C[C@]1(C)CO 1167396798 GSBWHAJPMVJQPU-YVEFUNNKSA-N 413.268 1.442 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC12COCCN1CCOC2 1168939921 VNJCMFHMVYXYQC-INIZCTEOSA-N 410.515 1.181 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](CC#N)C2)c(OC)c1 1192432848 HTCNEDWWGILVRU-CYBMUJFWSA-N 401.510 1.771 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(C)C)CC1 1216009122 OWAUPGWCGVMBBJ-UHFFFAOYSA-N 410.544 1.280 30 10 HDEE CC(=O)N1CCN(c2cccc(NC(=O)N3CCN(C(=O)CC#N)CC3)c2C)C1=O 1219059437 NETXTUNPHQEPBQ-UHFFFAOYSA-N 412.450 1.373 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O 1227707553 IXOWNIRJHDVEAS-GOSISDBHSA-N 415.490 1.783 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1264679220 ZQKMQFUOOCMBAU-HXUWFJFHSA-N 421.563 1.943 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286334673 AFHWYHAZWDZQSG-QGZVFWFLSA-N 416.526 1.106 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286344546 RHJFLSTUZHBMQQ-KRWDZBQOSA-N 409.538 1.486 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1286416673 UUPFEBOSLSXNBV-OAQYLSRUSA-N 422.581 1.239 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC=C 1286440126 NSOKNBWTUOHHBQ-UHFFFAOYSA-N 402.476 1.734 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286665738 NARGGCVGQQHWMH-DLBZAZTESA-N 409.556 1.814 30 10 HDEE CCCc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1289202065 VXLAHKBBMSKUDZ-WWMYMODYSA-N 415.515 1.389 30 10 HDEE C=CC[S@@](=O)(=NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccccc1 1289585645 CJJWWHNOYHKDIC-LJAQVGFWSA-N 412.471 1.794 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)cn1C 1294651172 YLIROZLHXIAMMN-UHFFFAOYSA-N 412.475 1.228 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)c2S1(=O)=O 1296986063 DGTBDCSNLRPOIR-UHFFFAOYSA-N 415.353 1.540 30 10 HDEE CCS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1297261071 JGKUWPSSSAQDJX-UHFFFAOYSA-N 424.475 1.847 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1300382649 YGWCLJCUFDEELG-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300391893 VGBJBSOUXJKVDH-GOSISDBHSA-N 418.519 1.999 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1300428476 GKBSPEAMZBPGOP-HKUYNNGSSA-N 413.526 1.476 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC 1300516565 PQABBZPPPHJURY-UHFFFAOYSA-N 415.519 1.305 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C1CCCCC1)N(C)C 1300663517 DPDXWSKZWFQGFF-RBUKOAKNSA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@H]1COCCO1 1300675144 MBEOIGKXHNWXNG-IBGZPJMESA-N 400.479 1.667 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1300778642 CERUHYJVEGOZEA-NJAFHUGGSA-N 421.567 1.426 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1300994016 LBPZUMIUSBRCIF-UHFFFAOYSA-N 409.494 1.388 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1301412839 KTVMBKYHIGCBEJ-CQSZACIVSA-N 422.436 1.988 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2COCCO2)C1 1301567263 GFCTZPVHJMBAHU-XSLAGTTESA-N 408.499 1.199 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOC1=O 1302644211 PDWCQAZRBQJILW-UHFFFAOYSA-N 411.466 1.779 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 1302921294 BKLCGAQWVMVXGK-UHFFFAOYSA-N 407.492 1.780 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC(F)F)CCN1C1CC1 1303009197 GPMLUHNLWCOPGB-OAHLLOKOSA-N 423.468 1.206 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](C#N)C2)o1 1303427970 DKBZRGNKBCIVGA-KGLIPLIRSA-N 409.464 1.372 30 10 HDEE COc1ncc(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1C#N 1303461160 WECDEGLPLSBECM-AWEZNQCLSA-N 424.479 1.325 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H](CO)C1 1308068754 QLFHIJQFCBCQDK-INIZCTEOSA-N 409.508 1.246 30 10 HDEE C=CCCC(C)(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1309747018 OULYTEQALAOLRH-UHFFFAOYSA-N 416.565 1.978 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1316347443 FQLCBYOIEQDKNL-HNNXBMFYSA-N 412.475 1.267 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 1320462056 BBWNGUCVKGQRMK-MRXNPFEDSA-N 414.487 1.831 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COc1c(C)occc1=O 1347721338 IEZYMVNRGCCOQJ-JLOCXQCDSA-N 402.447 1.166 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358925526 INVAVMWHDMRZCV-UHFFFAOYSA-N 408.506 1.933 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1358935841 VDBQCTCFQTZZPX-IBGZPJMESA-N 416.570 1.751 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCOC[C@@H]1C 1359019870 JXFDXNOTXNIOKK-SFHVURJKSA-N 413.522 1.760 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1359092015 VVZOEPGCSNXZEI-BBWFWOEESA-N 411.572 1.854 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1359136950 ZZGYDSDRBAVWBA-LAUBAEHRSA-N 422.526 1.912 30 10 HDEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359163206 VCDBJWHUMOEGLN-HXUWFJFHSA-N 402.520 1.960 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1359172893 MCYCVQCLRQNLSB-UHFFFAOYSA-N 417.602 1.845 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1359260166 VEAXNWOOBZUEJS-UHFFFAOYSA-N 412.473 1.925 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1360196208 JDQWFYYCLGFSAL-NRFANRHFSA-N 413.526 1.557 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c1 1360356665 FDBSUUYFMMWSGZ-CQSZACIVSA-N 402.476 1.502 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1438146186 GDIGFBWWHXCASD-HNNXBMFYSA-N 414.474 1.910 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CC2)cc1 1438349166 PTIONRBBSWTERP-UHFFFAOYSA-N 403.442 1.572 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1440683575 KXOIFNHGSZQHQU-KRWDZBQOSA-N 404.478 1.598 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)c1cc(F)cc(F)c1 1456197304 QEFCOOCEANFQBZ-LLVKDONJSA-N 407.398 1.502 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C2)c(=O)nc1O 1457203138 SXEDXZWJTNRLEA-SFHVURJKSA-N 411.437 1.398 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 1458368591 GSYOFTYOFUYVLR-UHFFFAOYSA-N 402.480 1.505 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C(=O)N[C@H]2CC[C@H](O)CC2)cc1 1469452587 UBCSOAVEOFTSCO-IYARVYRRSA-N 420.469 1.960 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCC[C@@H]1C#N 1471051511 SLBVRGGVEKKHQK-BXUZGUMPSA-N 400.298 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1475245676 AIHLHHFCYPRBSP-PMPSAXMXSA-N 404.529 1.523 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1475476603 ORRMOZKRYNTCDL-SNVBAGLBSA-N 409.291 1.123 30 10 HDEE CCc1nnc(N2CCN([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1499134542 HTDDWHVYBIHOOZ-MRXNPFEDSA-N 411.510 1.486 30 10 HDEE CCN1CCN(CCCCn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)CC1 1502352600 INAMWAXDIZMYSH-GOSISDBHSA-N 403.575 1.722 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)(F)C(F)F 1503670098 NJBGUBABJXHGOJ-LBPRGKRZSA-N 416.379 1.929 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507607821 DWWZPDDOOQZWRK-HOTGVXAUSA-N 409.473 1.151 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCN1CCOC[C@@H]1C 1507608746 RGWYHNBJYRCADN-SFHVURJKSA-N 405.506 1.921 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507658465 BGIXZCNJNIMLNZ-ZVVDCOBXSA-N 414.506 1.413 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507659011 KCSXNXPPAMBFGJ-PGRDOPGGSA-N 411.506 1.315 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1507752535 AFJQPBMAKGBVJY-RDJZCZTQSA-N 403.552 1.771 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1508072358 PMFQZTJVNYAEAR-CABCVRRESA-N 413.482 1.089 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1508422908 FNDCHZHZRCHMAC-HUUCEWRRSA-N 420.514 1.707 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCCN1CCOCC1 1515232192 FPWMQSKKCGOOKC-ACJLOTCBSA-N 408.449 1.429 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1517080064 IMKRDJDIRFBYSA-UHFFFAOYSA-N 412.494 1.605 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1=O 1517401699 LJMSUDJNJPRJJI-JOCHJYFZSA-N 421.505 1.387 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccs1 1519449897 OGEGSDMURXHUHO-LZWOXQAQSA-N 404.496 1.430 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1522162405 FOPNHQVFIHRKGJ-SJORKVTESA-N 410.492 1.180 30 10 HDEE N#CC1(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCSCC1 1525428694 PAJUCJALTXXEGU-UHFFFAOYSA-N 415.475 1.542 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1532448811 LVRJMCSSCGHUSX-QLFBSQMISA-N 409.508 1.199 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2n(c1C#N)CCOC2 1537678985 IHINCOSKEVATCT-HNNXBMFYSA-N 413.434 1.555 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1538760921 JWJFDNGQSAGCHQ-FHSNZYRGSA-N 407.879 1.090 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1539003020 KIEVKPMFKUDJDN-HNNXBMFYSA-N 421.505 1.611 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1539221087 YIRALLYSKHBBNM-KRWDZBQOSA-N 402.520 1.833 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539230412 HGIUJNZVAAIUHT-XSLAGTTESA-N 406.552 1.878 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1539343081 DBZMGJKBUJKVHD-CABCVRRESA-N 403.508 1.524 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1539371985 MBXMCGHWUWQBGI-QZQOTICOSA-N 422.464 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCCC2=O)CC1 1539444901 XQALZFTUIXKUAD-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)CC1 1539828004 CSKBIYUTJSOGRX-HZPDHXFCSA-N 419.555 1.504 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2ccnc2C)C1 1540884835 VVOGHZFPLDKELR-WIYYLYMNSA-N 416.526 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)CC1 1540899043 BRYBIJRWBDOLGM-UHFFFAOYSA-N 407.496 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCCOC2)C1 1540900727 FWNVDFBXPGTQKM-FQEVSTJZSA-N 417.535 1.948 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1540912770 IFZBCWJMWHOZOA-UHFFFAOYSA-N 424.596 1.675 30 10 HDEE COC[C@](C)(CC(=O)OC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1544893773 STJJQANGCBEFTJ-BSJYVJPASA-N 423.510 1.858 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554693981 CLCKDXUEQHASTG-IGCQWYOMSA-N 414.510 1.762 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1555773846 HRGHFGNUSWHYAE-MRXNPFEDSA-N 401.492 1.619 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC(c2nccn2C)c2nccn2C)c1 1557542420 KIHPVFHZGFKWBG-UHFFFAOYSA-N 414.491 1.137 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC#N)CCC(=O)OC 1557987338 GGSCVOISSCQQJX-HNNXBMFYSA-N 420.491 1.199 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN1CC(F)(F)F 1558261117 GJDSKNFRHXZDGA-GFCCVEGCSA-N 418.441 1.258 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1558382850 GKPYYDNVTMOMHX-XLIONFOSSA-N 424.519 1.456 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C2)c(C#N)c1=O 1559274252 SMZYVYPGBHODDN-GXSJLCMTSA-N 417.388 1.085 30 10 HDEE CCOCCCN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](C)C(=O)OC 1559545604 BQBINBDJBZATNU-QGZVFWFLSA-N 400.475 1.824 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(Cl)cc(C(=O)N(C)C)c1OC 1562784422 IWMSYRVDPAQVIR-UHFFFAOYSA-N 403.888 1.773 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C 1564790767 MTMYNUKBURMLNB-SXLOBPIMSA-N 419.522 1.608 30 10 HDEE C=C1CC(C)(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)C1 1565728295 KKUCYFQBJXVEOW-UHFFFAOYSA-N 405.476 1.207 30 10 HDEE C=CCN(CCC#N)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1569599811 MCHZAFHHCXTZLY-MJGOQNOKSA-N 405.520 1.862 30 10 HDEE CC(C)(CCN1CCOCC1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1585292528 NSYGAJYMLVIEKN-UHFFFAOYSA-N 422.551 1.122 30 10 HDEE C[C@@H]1CC(=O)N(C)c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc21 1587419363 FLFLTYHMHOIBMK-GFCCVEGCSA-N 412.471 1.834 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1587909483 LWEHAARFIGGXGF-HNNXBMFYSA-N 417.539 1.001 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1588400272 YZEPVPRKPUIKTP-SJORKVTESA-N 420.558 1.996 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)COC)CC1 1589569249 OJWZUVBLEUVXFI-APWZRJJASA-N 407.515 1.091 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F)C1CC1 1595058276 GUXYBTRJSGPFJU-GFCCVEGCSA-N 409.434 1.328 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1597832984 NWJXPYOSHVPFAG-QGZVFWFLSA-N 411.510 1.536 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCOCC1 1598176453 NEUDGWFFQKUVAU-MRXNPFEDSA-N 408.495 1.915 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C2CC2)CCC1 1611710777 FDFJZSLQYGCCAH-UKRRQHHQSA-N 408.528 1.197 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4ccnc(C#N)n4)C3)[C@@H]2C1 1612803368 VMDDQDOANMGGRB-MJBXVCDLSA-N 400.439 1.367 30 10 HDEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CCOC1(C)C 1613020960 BNFJALAYFYPCNA-AWEZNQCLSA-N 403.508 1.865 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1614028155 SSRSNTVKDWLLNM-UHFFFAOYSA-N 415.523 1.011 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1614079730 HCUKSLQMIWSZMA-AVRDEDQJSA-N 424.505 1.605 30 10 HDEE C[C@H](C(=O)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1)n1cnc(C#N)n1 1617127282 RONHOMFKYFYENU-CQSZACIVSA-N 416.463 1.358 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1617350542 MZAQHWMOSQUCCT-QLXKLKPCSA-N 408.476 1.973 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1618757728 GOOWFKZPQCZCOR-QZTJIDSGSA-N 412.494 1.441 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccnc(C#N)c1 1618793662 OHWNLHTWJHZTSQ-SFHVURJKSA-N 418.544 1.978 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 1622372685 UBNLOFAMRVHNFF-QFIPXVFZSA-N 421.338 1.611 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)nn1 1622441508 OSKZUTUAUDCVDX-UHFFFAOYSA-N 407.471 1.708 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c([N+](=O)[O-])c1 1622468924 GNRYJRRKAWJHKQ-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1623692303 BTXRNXHAGIPPLP-RDJZCZTQSA-N 421.542 1.385 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCn2cncc2C1 1627265651 APNGJQUWOXBOCY-YOEHRIQHSA-N 415.519 1.612 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2C[C@H](O)C[C@H]2C1 1628120892 OIYDBHLDGZPNDJ-UONOGXRCSA-N 424.295 1.376 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC2(CC1)C(F)(F)C2(F)F)c1cc[nH]n1 1628522990 WOZSEWMKKNBZTI-UHFFFAOYSA-N 406.336 1.587 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccnc3c2CC(=O)N3)nn(-c2ccc(F)cc2)c1N 1629819793 AWHKVJMPBTUGGS-UHFFFAOYSA-N 419.420 1.717 30 10 HDEE CCOC(=O)c1cc(NC(=O)CNc2ccc(C#N)cn2)cc(S(C)(=O)=O)c1 1630581810 CNMGHZMSGKPNNP-UHFFFAOYSA-N 402.432 1.584 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1631078819 JQDYWVKUXLUUHD-QAPCUYQASA-N 412.494 1.924 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1631390646 DWTLJERSYFYDFA-INIZCTEOSA-N 423.535 1.988 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC(C)(C)C 1633519895 DYHZZMOJQVLWHC-UHFFFAOYSA-N 421.519 1.713 30 10 HDEE COC(=O)c1ccccc1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1634772277 BZMXAPRJFQRBKL-CYBMUJFWSA-N 415.471 1.607 30 10 HDEE C=CC[C@]1(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)CCCN1C(=O)OC(C)(C)C 1636390668 OUOHYDMMWZYYQU-BTLOCWJLSA-N 417.462 1.302 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2ncncc2C1 1636637761 BKNRUYAMXZRPGC-KRWDZBQOSA-N 413.503 1.659 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1637079008 RRVCGSCIFZAIPA-RBSFLKMASA-N 401.529 1.998 30 10 HDEE CC[C@](O)(CCC(F)(F)F)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1639659054 LCWCEQAEDAVDLW-WBMJQRKESA-N 421.441 1.825 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2=O)cc1 1639942568 IFEJWMHPXKHWRD-WBVHZDCISA-N 419.445 1.266 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1640147189 PRTFPPNRCNCSMV-VBKZILBWSA-N 417.466 1.116 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1640916048 ISEKPQHRNZNQOO-PMACEKPBSA-N 408.437 1.968 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)COc1c(F)cccc1F)c1cc[nH]n1 1641208573 XFQKXQDJHVIROK-LLVKDONJSA-N 410.377 1.555 30 10 HDEE CN1CCC2(CC1)CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1642400677 XXZICHVUEUUYDP-UHFFFAOYSA-N 404.536 1.450 30 10 HDEE CNC(=O)[C@@H](NC(=O)CN1CCN(c2ccc(F)cc2C#N)CC1)c1ccccc1 1644196483 CDSYKVXYERGOSR-NRFANRHFSA-N 409.465 1.423 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1645230109 UFCSYPJTLAKYSB-AWEZNQCLSA-N 414.911 1.560 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H](F)C1 1649068363 DFVWUXHYLPGBBG-FGQLKYCASA-N 410.446 1.367 30 10 HDEE Cn1cc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c(I)n1 1649146227 GCEOEJKSJCMYII-UHFFFAOYSA-N 419.186 1.934 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1654229471 NQAWKTAAVWLRFS-UZLBHIALSA-N 420.535 1.111 30 10 HDEE O=C(CN1CCC[C@H]2OCCNC(=O)[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1654597455 KJMXURCUTGKFFH-AEFFLSMTSA-N 409.408 1.153 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@@H]1CCCO1 1662679052 MWSKRGLRSLYHTF-ZFWWWQNUSA-N 409.284 1.983 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2nc(O)sc2c1 1668035646 FIYSGSAUNZNRDL-NSHDSACASA-N 416.488 1.563 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 1676031137 SRZQCPCMWKQURX-WOJBJXKFSA-N 404.942 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CC[C@@](O)(CC#N)C3)c3nccn32)C1 1676429619 QHDGHLHDKYYSHN-XOBRGWDASA-N 416.482 1.334 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)n1 1682542938 JITOQYFPMVEHGX-MRXNPFEDSA-N 407.515 1.978 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCCc4nc[nH]n4)CC3)n[nH]2)cc1 1686988929 ZHSVCVVFAMHHRS-UHFFFAOYSA-N 405.466 1.531 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1690025616 XVMYILQXZADIOL-GOSISDBHSA-N 412.515 1.673 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1690077151 JSVWTORPWVTOHH-KRWDZBQOSA-N 416.503 1.827 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1CCC 1690092435 IEGHOBJCMQMNCU-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CC)OC)CC1 1690113504 LMRVOBGPWBKWNU-NQIIRXRSSA-N 405.543 1.499 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690343860 GAUMAMOMXPXSAU-RHSMWYFYSA-N 400.932 1.940 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690671991 FKZTYVCGHADRTK-CQSZACIVSA-N 402.886 1.136 30 10 HDEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1690975784 MWBUNPVNVMGLAA-HXUWFJFHSA-N 413.482 1.662 30 10 HDEE Cn1ccc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)n1 1696862212 HXEXZCPZCHQQCA-OAHLLOKOSA-N 413.432 1.852 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1705566351 NMHQQEQZWVWCJO-MRXNPFEDSA-N 422.580 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1705584636 RWIOBDMFABPKDA-KRWDZBQOSA-N 412.515 1.385 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCCN1CCOCC1 1705586329 DZWATSDBSKGLSW-UHFFFAOYSA-N 412.563 1.819 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705617392 SNXAGKHSXNRSBH-ROUUACIJSA-N 402.543 1.359 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705633964 DGNAGTYDQMVDNY-RBUKOAKNSA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(N(C)C)cc2)CC1 1705638539 NRRNGVDXUBILTD-UHFFFAOYSA-N 416.533 1.799 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1705644288 LEKJZCYCLNSYGX-WHSLLNHNSA-N 403.527 1.297 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1705658491 RGBVFNPWKNFPBR-UHFFFAOYSA-N 400.508 1.002 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1705905842 IXKUPMNXODVGFI-UHFFFAOYSA-N 421.505 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC 1705930998 BLHZKDWFZKWWEK-UHFFFAOYSA-N 412.537 1.406 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1706020259 ONWAFQBDGMUFDC-SIKLNZKXSA-N 424.505 1.727 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CCCn1cc(CO)nn1 1711073774 HRPSLZDRHRSDAU-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1711324446 BLVLELAAJDDBKE-NRFANRHFSA-N 424.505 1.606 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(C)cc1)N(C)C 1722342705 VZMZJQIPZQSEBL-FUHWJXTLSA-N 418.567 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1722387932 RWFKJSDETAJVHV-IBGZPJMESA-N 414.554 1.236 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)COC1 1722389988 NMZMIXRCXOZCPW-UHFFFAOYSA-N 412.515 1.848 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722454745 HQAJLZBNXUWJDE-KRWDZBQOSA-N 411.535 1.747 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722553680 DZLVCISHTSKZDR-ZDUSSCGKSA-N 420.926 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722697788 PMNZQFNQFFCHCE-UHFFFAOYSA-N 423.521 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1C(C)C 1722730464 SVJJDLKFPBQYSE-INIZCTEOSA-N 409.556 1.626 30 10 HDEE CCNC(=O)c1cccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1728659461 FDMXRRPCWLMZTL-UHFFFAOYSA-N 417.473 1.920 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1729617127 JSQAEBSYHNPQMB-YWZLYKJASA-N 406.531 1.829 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1730777664 HLLSDDICYOQWHS-BBWFWOEESA-N 404.515 1.753 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1740530984 CMTYKTLHKNJNJM-HZPDHXFCSA-N 404.478 1.842 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)CC 1740557873 ATPNBJGQKKNYDP-HNNXBMFYSA-N 406.508 1.758 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCS(=O)(=O)C2)c1 1740562124 LPGAJUMKHBOZPV-INIZCTEOSA-N 401.492 1.077 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740627872 TUBAOZWKFUIPAV-IKGGRYGDSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OC)c1OC 1740653729 WPQZOPJYWUHLDO-KRWDZBQOSA-N 407.474 1.758 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C)on1 1740679522 BNNQXKCMRFLXPB-FQEVSTJZSA-N 403.483 1.749 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1740729298 CPPBVXBEKVRDCA-JBYIUTFZSA-N 413.570 1.247 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740861910 DLBSMDSHCQKWCG-INIZCTEOSA-N 424.571 1.446 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740940139 VIFXRUPMELOTKM-INIZCTEOSA-N 422.555 1.204 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747281787 UQVSOVUUJGMCOK-UFOSLELVSA-N 400.483 1.545 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1748638133 JKOWOCHANUDTKJ-CQSZACIVSA-N 415.494 1.948 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCCN1CCC(O)CC1 1748851233 AFFJKRSMFHKMSW-UHFFFAOYSA-N 405.546 1.983 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCCO)CC1 1748977764 CEFQBNVSPUERMA-OAQYLSRUSA-N 405.543 1.237 30 10 HDEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749266970 NLVVMWQZKABEQC-UHFFFAOYSA-N 406.918 1.569 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2COCCO2)CC1 1749329525 OHEGNFTUTVWDRM-ZBFHGGJFSA-N 413.544 1.096 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1749330754 MOVUGFDTNQXRGN-HXUWFJFHSA-N 424.567 1.910 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749431115 ZERBYFQRZOWZSQ-INIZCTEOSA-N 409.494 1.553 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C 1760102587 MZNZFBMTTYDSGT-AWEZNQCLSA-N 403.508 1.285 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(CC)s1 1760145175 JIVNNGRKUOXGNV-CYBMUJFWSA-N 410.569 1.957 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760175920 VFFVQKNGTCWMGG-ZIAGYGMSSA-N 411.528 1.163 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1760186548 DHHNCYGSWZDQJI-ULQDDVLXSA-N 417.535 1.212 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1NC(=O)CC1(C)C 1760205575 FCWUMXGAEVYQCA-RBUKOAKNSA-N 419.485 1.778 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1760234540 PYCAMWWKMIAMQS-QGZVFWFLSA-N 404.478 1.626 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nncn1C 1760247324 XCYUTXKOODVRRH-UHFFFAOYSA-N 415.885 1.870 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)C(=O)NCC)CC1 1760258448 XPYHTEFMVKZCKN-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760450510 MLHMJDPGKLLNFS-KURKYZTESA-N 424.567 1.778 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1762689975 BDJUCQGJDQKGCJ-OAHLLOKOSA-N 423.477 1.326 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1764994303 VGVMZERLWIUZJS-SFHVURJKSA-N 421.461 1.714 30 10 HDEE CCCNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766230767 LZACYXNMVIPMLX-SJLPKXTDSA-N 415.542 1.265 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1769588250 WHAMWWSHPJKSAZ-XOKHGSTOSA-N 413.434 1.878 30 10 HDEE COCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769667622 CPOIMCLPDAHOTQ-GOSISDBHSA-N 411.510 1.802 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1771535263 GLPVRMGZRWZCBD-MRXNPFEDSA-N 400.508 1.439 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)ON1C(=O)c2ccccc2C1=O 1772790115 JAXPOEALQPOSJJ-UHFFFAOYSA-N 407.386 1.132 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 1849994144 UUQHTQCGORRXJH-UHFFFAOYSA-N 418.457 1.803 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1850954463 VXEWKDUHQDNOMB-MRXNPFEDSA-N 416.478 1.765 30 10 HDEE CN(C)C(=O)[C@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)c1ccccc1 1851834882 YSDJBHXNCXOASK-CYBMUJFWSA-N 405.398 1.729 30 10 HDEE O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851908444 QLBZVDWENFJHPE-UHFFFAOYSA-N 417.365 1.824 30 10 HDEE C[C@@H](C(=O)N(C)c1snc(N2CCOCC2)c1C#N)N1Cc2ccccc2C1=O 1852379532 AAWGSZGIMRTLTF-ZDUSSCGKSA-N 411.487 1.859 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc(C#N)c3F)CC2)cc1 1852780598 YLTQJYDRBFKHQF-UHFFFAOYSA-N 421.425 1.992 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N(C(=S)N=CN(C)C)c1ccc(F)cc1 1852983663 PQARBMFVFGEJOL-HNNXBMFYSA-N 414.528 1.848 30 10 HDEE COc1ccc(OCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)c(OC)n1 1853680940 RVYSYHOKDZCUGO-MRXNPFEDSA-N 416.478 1.478 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(Cc3ncno3)c3ccccc32)CC1=O 1853895026 HTKLZBKFCFMVPZ-HUUCEWRRSA-N 409.446 1.763 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCc2ccc(F)c(OC)c2)C1=O 1854160977 PKHRBFQNBNHQKI-ROUUACIJSA-N 417.481 1.613 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCCC[C@@H](N2CCN(S(=O)(=O)C(C)C)CC2)C1=O 1854565895 AASZJCKOIGWVFE-ZWKOTPCHSA-N 413.584 1.852 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1854641375 DBZASIDEILXNKR-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)C1 1854940601 FTCFOJJXDGMCND-RBUKOAKNSA-N 413.522 1.066 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)n2)cc1 1856189574 QWZGNJBZIVQMOT-IRXDYDNUSA-N 407.474 1.753 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@@H]1CCS(=O)(=O)C1 1856708077 OZVDQONDFIKDHG-CQSZACIVSA-N 423.922 1.656 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ncoc2C(C)(C)C)C1=O 1856721777 KBCDOWDIJKSLHE-CABCVRRESA-N 402.495 1.822 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc3ncccc3n2)C1=O 1856728403 HITPJZCIVRYXFX-OALUTQOASA-N 407.474 1.480 30 10 HDEE CCOc1ccccc1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042250 UWDSCZCJBJPQDD-INIZCTEOSA-N 419.503 1.639 30 10 HDEE CC(C)n1cc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cn1 1857068474 KIVKOFQMYJQEJZ-SFHVURJKSA-N 407.478 1.294 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3ncccc3c2)C1)[C@@H]1CCN(C)C1=O 1857264187 MHVCMXRGWLGVJE-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857265254 TYLOBCRTFHFMTO-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCC(C)CC1 1870542020 LZPSYPOUYALXNA-LJQANCHMSA-N 403.523 1.940 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc(Br)n1C 2010386101 PTOWPYUAFMXEBX-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2062445492 YQRBAOPBNMXWAI-VXGBXAGGSA-N 413.272 1.031 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@@H](CC(=O)O)C(F)(F)F)C(F)(F)F 2180574557 LJOMFSWLDKJDJO-VHWMUFPASA-N 406.201 1.755 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN([C@H](C)C#N)CC2)C1 2181148012 POHBIHUPTJXJCW-LZNRXBQRSA-N 414.506 1.859 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2199855649 LVSHQPKHCKGSQA-AUUYWEPGSA-N 400.541 1.893 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2205592656 YAQRIYPKIXEPSU-KGLIPLIRSA-N 419.569 1.577 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2244226568 YJNSGSHBVIBQEU-CQSZACIVSA-N 402.494 1.205 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=[S@](C)(=O)C3CNC3)sc2Cl)OC1(C)C 2267132642 RXLYVLWAUKJJLW-RUZDIDTESA-N 404.750 1.911 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267370448 MCHWSMIIDAZGRL-XMMPIXPASA-N 407.388 1.484 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H]1CN 2282307767 IBNYKQHGJAEUMD-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNCC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282310043 OJQIRRJIYJSLDV-YPMHNXCESA-N 400.375 1.632 30 10 HDEE CN(C1(CCO)CCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343510 FLYSBSORKKKZMZ-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE COCCN(C1COC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489853 FSSBBEPAXFIZIR-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C(=O)[C@H]1C 2282490167 GTZQZUDPGDXGQL-MNOVXSKESA-N 400.331 1.387 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC(C)(C)[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282828853 VYFQUYJUKDNPGH-AAEUAGOBSA-N 401.359 1.793 30 10 HDEE CC[C@H](C)N(CCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836364 IWCLAVUPTZRSRZ-LBPRGKRZSA-N 404.363 1.365 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284397669 OQFDAXCUPPGYPN-SNVBAGLBSA-N 403.693 1.638 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2356970174 PRNIFNQNZZVEQH-BFHYXJOUSA-N 403.501 1.554 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365198839 JDASXSKYQGHBST-YNEHKIRRSA-N 410.483 1.146 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCN(C)C(=O)OC(C)(C)C 2365202188 NARZBNBKKDSEQL-BEFAXECRSA-N 404.573 1.799 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC 2365212310 RCMXQNTTZQEYJH-OAGGEKHMSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)C1 2367793896 XQZCLWAXONBREB-KBPBESRZSA-N 401.481 1.294 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2367808806 HBSNALITBBTWEN-RVKKMQEKSA-N 400.541 1.306 30 10 HDEE CCOc1ccc(CN2C[C@H](C(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1OCC 42306 RHNFODVAEOZMGA-SJORKVTESA-N 401.463 1.583 30 10 HDEE C=CCN1C(=O)[C@]2(C(C(=O)OC)=C1CC(=O)OC)c1ccccc1-c1oc(N)nc12 20220479 PDDQDWKGYSLXPU-NRFANRHFSA-N 409.398 1.542 30 10 HDEE CN(C)C(=O)c1ccc(C#CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 96352187 UESAWRYUOSTWQS-UHFFFAOYSA-N 400.456 1.490 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@@H]2ON(CCC(N)=O)[C@H](c3cccc(C#N)c3)[C@H]2C1=O 102439301 WHBOYFHYJAJQDA-AVQSHMDHSA-N 418.453 1.837 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2ncc3ccccc3c2=O)cc1 109940530 XGOMWWHISQJCOF-GOSISDBHSA-N 419.466 1.808 30 10 HDEE COc1ccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254428880 PISDFKBJTJLVJV-XJKSGUPXSA-N 410.517 1.711 30 10 HDEE CC[C@H](/C(N)=N/O)n1cnc(I)c1I 306877970 CPDHPSSKVQTWBO-SCSAIBSYSA-N 419.992 1.790 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CCO1 432799184 ATUKPUNSDIEDHC-MRXNPFEDSA-N 401.448 1.780 30 10 HDEE Cc1cc(OCCN2CCNC2=O)ccc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 443271318 FFTHSCYGRPHETM-UHFFFAOYSA-N 413.478 1.490 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 443503961 WEHYQNKCKIDPQQ-JOCBIADPSA-N 410.386 1.944 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C 444523899 GQVYDVXEJYICKN-UHFFFAOYSA-N 401.902 1.429 30 10 HDEE CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)[C@H](C)n1cnc(C#N)n1 466978160 WULSWBMHDNNXOV-NSHDSACASA-N 411.422 1.425 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)CC2)n1 474084590 SOPJEKUJBQRCAV-UHFFFAOYSA-N 418.461 1.682 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478053066 JGVBSQWNBPNTQZ-QGZVFWFLSA-N 418.563 1.397 30 10 HDEE N#Cc1cccnc1N1CCN(CCCN2CCN(c3ncccc3C#N)CC2)CC1 484995740 VDEGFXBYMAIHDL-UHFFFAOYSA-N 416.533 1.554 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccccc2OCCN2CCOCC2)ccc1F 488721778 DHIALWLJDVURSA-UHFFFAOYSA-N 419.478 1.887 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC 491808259 IAQWLNPWKKYRDZ-UHFFFAOYSA-N 412.540 1.877 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508481499 RQAQNEZDJMGJCK-KRWDZBQOSA-N 412.450 1.867 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508868604 WAVDREYAKBVQRS-WMLDXEAASA-N 404.492 1.848 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 510387265 BSZDAIASFJIQGS-LLVKDONJSA-N 405.398 1.264 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C 514918197 VNGJGVKDIPCUAW-UHFFFAOYSA-N 404.495 1.632 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N3CCCC3)cc21 526842299 BTGCMJRIGZENKR-POXGOYDTSA-N 404.488 1.540 30 10 HDEE C=CCN(CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 532718036 FWAMCDZGFMUFLQ-LJQANCHMSA-N 406.548 1.869 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nc(O)n[nH]3)CC2)CC1 561379236 DRXCEMOSEZUACN-OAHLLOKOSA-N 415.523 1.160 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1OC 567498706 LFVQGQXKHCLGKH-HNNXBMFYSA-N 407.423 1.502 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@]4(CCCOC4)C3)CC2)cc1 585752755 UINOHDLPEFAWKZ-NRFANRHFSA-N 417.531 1.988 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ncnc4sccc34)CC2)c(F)c1 586863047 IMJZFAJUZPTFBJ-UHFFFAOYSA-N 424.461 1.667 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)cs1 609253022 OYKHSZJRTUHEMU-UHFFFAOYSA-N 423.495 1.678 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 609920413 KRFRBJSHVUDRJY-UHFFFAOYSA-N 424.549 1.334 30 10 HDEE C[C@@H](C#N)CN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 611086975 XCAVCAMIGZCANV-AWEZNQCLSA-N 407.492 1.667 30 10 HDEE COc1ccc(CN(CCO)CCS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 611089256 OMNNHOPRYCOGJT-UHFFFAOYSA-N 404.488 1.844 30 10 HDEE COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1NS(C)(=O)=O 611360587 DXTIJOPADTYJHT-UHFFFAOYSA-N 420.422 1.332 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c1 614596704 VOHOBZSAQWKJIQ-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1Cc1ccccc1 619695498 TYXHYVXDUXIYQT-UHFFFAOYSA-N 423.469 1.355 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2nn(CC)c(=O)cc2C1 619806643 BAFNZXQSNUTCMU-UHFFFAOYSA-N 405.462 1.888 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 679530674 LRVSUYHLIIZSMU-UHFFFAOYSA-N 408.256 1.346 30 10 HDEE CC(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730145143 XBUUEVREWWIQNL-MRXNPFEDSA-N 419.551 1.441 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)c1 730227202 XMJIHXOIPDHVIF-OAHLLOKOSA-N 416.499 1.976 30 10 HDEE Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706389 IGRVOSMILAEXBC-KRWDZBQOSA-N 409.490 1.368 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)N2CCCC2)C1 734291660 ZAVGVWXBUUFGOD-INIZCTEOSA-N 404.492 1.599 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C)cc1 734917221 HPEMBRMMFPDQGZ-SIKLNZKXSA-N 421.453 1.946 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CCC 735069199 NNINVOIEFKIWBL-UHFFFAOYSA-N 401.536 1.346 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)cc1 742111567 UKXFNXMGQPQJQL-LJQANCHMSA-N 414.483 1.675 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 746265772 AVONIAUJRSPDAC-OTWHNJEPSA-N 414.506 1.593 30 10 HDEE CCn1c(=O)n(CN(C[C@@H](C)C#N)C2CC2)c2cc(S(=O)(=O)N(C)C)ccc21 753976960 MWSYJOXEFXAJJG-AWEZNQCLSA-N 405.524 1.655 30 10 HDEE CCc1c(C(=O)OCCCOc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754347761 VESDMMFXWZCDRN-UHFFFAOYSA-N 422.441 1.692 30 10 HDEE CN1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)CC1=O 756118764 GVJUHYXKUFTUGB-SILNSSARSA-N 407.496 1.543 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 759809011 FLFKQZACQQXIRO-OAHLLOKOSA-N 402.451 1.396 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]cc(Br)c2=O)cc1 761026343 NCZYKEVOZDVBJL-UHFFFAOYSA-N 410.249 1.301 30 10 HDEE C#CCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCS(=O)(=O)C1 761676243 IGISADLAPNFANR-INIZCTEOSA-N 408.501 1.367 30 10 HDEE COCC#CCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 762773971 YDVSSFFPVNVSLB-HNNXBMFYSA-N 416.293 1.795 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)cn1 764434762 YGIDCBMTDGDDNC-CVEARBPZSA-N 406.427 1.782 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CCc1ccc2c(c1)OCCO2 766976348 DJBBZPCPASILBF-UHFFFAOYSA-N 402.428 1.776 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1nccn2c(Br)cnc12 770092519 NZJWBEZBZPHNBL-UHFFFAOYSA-N 420.248 1.623 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)[C@@H]1CCCO1 773057180 PGYWKIDQDOTMFG-KBPBESRZSA-N 418.309 1.933 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774221617 RYIBHBFDJXAPKF-AEFFLSMTSA-N 405.520 1.496 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCC2(C#N)CCOCC2)C1 780540646 KKTNDCBAXMPYQJ-HNNXBMFYSA-N 411.480 1.556 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCC1(C#N)CCOCC1 780547144 LDOAVFPRRIXVQL-UHFFFAOYSA-N 408.476 1.493 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)Cc2ccnn2C)ccc1F 786578573 BRUDXSGALVNMFS-UHFFFAOYSA-N 410.471 1.312 30 10 HDEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 786803967 KSTIXHOEGWTNJM-CVEARBPZSA-N 402.813 1.834 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC=C(C)C)cn1 790704897 GJDQOKLDVWKPQY-INIZCTEOSA-N 406.556 1.869 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)cc1 792699617 HBNBYOGAABAKIM-WOJBJXKFSA-N 406.442 1.899 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)/C=C/c2ccccc2F)c1C#N 800045862 FSBFTQUWBJFSJO-PKNBQFBNSA-N 405.455 1.912 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(c2ccnn2C)C3)c1 802321723 KWMSACJTWHYVGE-ROUUACIJSA-N 412.515 1.882 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 809893267 LKMAUUNYMULZQF-CABCVRRESA-N 420.514 1.474 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2cccnc2OC)cn1 809943490 GOGCROIOURIZEU-HNNXBMFYSA-N 416.507 1.617 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)c([N+](=O)[O-])c1 811822540 CQIZXJJWMDZESZ-UHFFFAOYSA-N 403.439 1.982 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)C2)ccn1 856543227 BZEPRMGXZMNXKO-LJQANCHMSA-N 415.519 1.950 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1 856608809 ARNOQVJWNVQJAY-PWRODBHTSA-N 403.486 1.904 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OCCc3nnnn3-c3ccccc3)cc2)c1N 919550061 YKWJARARIUMFGK-UHFFFAOYSA-N 400.402 1.701 30 10 HDEE N#C[C@@H]1C(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)=CC(=O)n2c1nc1ccccc12 919804269 DONYVPKWIXPKLN-SJLPKXTDSA-N 419.485 1.794 30 10 HDEE CCOC(=O)/C(C(=O)c1c(C#N)c(N)nc2ccccc12)=C(\N)[C-](C#N)C(=O)OCC 1088689570 QXVNTSJABDQDEL-MSUUIHNZSA-N 420.405 1.308 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(C#N)cs2)C1 1133400168 FTDNMOBNVLQNNZ-ZDUSSCGKSA-N 413.521 1.774 30 10 HDEE N#C[C@]12CN(C(=O)Cc3csc(-c4cccc(F)c4)n3)C[C@H]1CS(=O)(=O)C2 1134645358 HOWWHWVKRZVNEO-SCLBCKFNSA-N 405.476 1.888 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCOC[C@@H]3C#N)nn2)CC1 1146516427 CXHXFFUODNOSLF-CABCVRRESA-N 404.471 1.605 30 10 HDEE CC(C)[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1CCCS1(=O)=O 1152028898 DLMKOHRFCBNBAZ-GOSISDBHSA-N 408.499 1.406 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)cc2)cc1 1156622571 SXQFPNFGVYLGAV-KRWDZBQOSA-N 412.471 1.519 30 10 HDEE C=C(C)[C@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)OCC 1158009074 DKVXKHGMYJMMEP-PMPSAXMXSA-N 416.540 1.603 30 10 HDEE COc1cc(C#N)ccc1C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1160339434 DEVCSHSFMVLJKW-UHFFFAOYSA-N 420.469 1.867 30 10 HDEE C#C[C@@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccccc1 1163096669 IZYJLXNUPVECLC-GOSISDBHSA-N 404.513 1.937 30 10 HDEE N#Cc1cc(Br)cnc1N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1164288591 RTNZERZUWXJWMX-JYHUIVOISA-N 413.297 1.339 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(C)cc(S(C)(=O)=O)c1)c1cc[nH]n1 1175368152 XZRYDMVJXJEALE-UHFFFAOYSA-N 408.436 1.044 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1cccc(C(=O)N2CCSCC2)c1 1175483973 GKVRANUVEDKCBD-UHFFFAOYSA-N 404.492 1.203 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)CC1 1175515004 NJIHFNHICSGAMO-NTCAYCPXSA-N 419.400 1.628 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2OC2CCCC2)CC1 1175515078 QVQSWGGILOACHJ-UHFFFAOYSA-N 421.519 1.242 30 10 HDEE C=CC[C@@]1(C(=O)N2CC(OC)(c3cnnn3C)C2)CCCN1C(=O)OC(C)(C)C 1176846412 JHZKABGSWBFMOG-IBGZPJMESA-N 405.499 1.845 30 10 HDEE C#CCN(CC(=O)N1CCC(O)(C2(C(=O)OC)CCC2)CC1)C(=O)OC(C)(C)C 1180738624 HQOPCYJQLWBYLV-UHFFFAOYSA-N 408.495 1.554 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F 1185675241 MSGYJTCBJZIUEE-LBPRGKRZSA-N 417.528 1.429 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1 1188583717 ZORHWCNZJKETLG-UHFFFAOYSA-N 406.320 1.296 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OCCC)CC1 1198437531 DMTUJJVWIZJBBR-UHFFFAOYSA-N 414.915 1.746 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1212442697 OACSPTDZRTXYDQ-HNNXBMFYSA-N 409.485 1.425 30 10 HDEE COC(=O)[C@H]1CN(C)CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1224112377 DWSPXPMSYLIRND-AOCRQIFASA-N 415.494 1.389 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1226798871 VKKBMJLVOOWAGD-UHFFFAOYSA-N 421.586 1.973 30 10 HDEE Cn1cc(CNC(=O)NCCCN2CCC[C@H]2C(N)=O)c(-c2ccc(C#N)cc2)n1 1233992624 YBKZQEUTZIVXLD-SFHVURJKSA-N 409.494 1.098 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1251987636 CYEWKGHUFIXRDU-HXUWFJFHSA-N 411.506 1.122 30 10 HDEE C#C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccccc1 1277180402 CZKVMFFYSDRAPB-SFHVURJKSA-N 401.488 1.370 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1286273868 KWFPLSWIQVCOOH-HOTGVXAUSA-N 419.551 1.931 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1286349665 LXKNIWIDEMJKHW-QGZVFWFLSA-N 408.510 1.177 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1286444152 QNTDVZGHILRRAS-ZACQAIPSSA-N 402.543 1.577 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2ncn(C)n2)CC1 1286483303 GDSOIKQOULVQBX-UHFFFAOYSA-N 404.522 1.385 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286786423 RPKLKFFDXLARKK-HOCLYGCPSA-N 410.478 1.319 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1288976852 GBPDDQSGSPYQCT-FXAWDEMLSA-N 418.567 1.572 30 10 HDEE N#C[C@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]2CC[C@H]1C2 1290861323 QYPNPXUDWJZRFJ-CKFHNAJUSA-N 402.476 1.076 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCC(O)CC3)C2)C1 1293928317 OVOZUXOKUZXUHA-JQHMZKTJSA-N 420.554 1.736 30 10 HDEE N#Cc1cn(CC(=O)NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(=O)nc1O 1294416804 GBJHOBHXXAZWFZ-HNNXBMFYSA-N 416.743 1.040 30 10 HDEE COC[C@](C)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1294989168 MOWSEABHHBJJMN-JFTXUKFJSA-N 409.483 1.468 30 10 HDEE CCN(CC)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1295536038 ZSGDUNVXRJIHFK-OAHLLOKOSA-N 415.498 1.466 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)CCOC 1297189480 WMERCYKKFGHIGX-HXUWFJFHSA-N 416.482 1.137 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN[C@H](c4ccccc4)C3)C2=O)cc1 1299399447 SYWDANZBUAXLGT-PMACEKPBSA-N 417.469 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300302386 AKMHSPZSARLOPF-UKRRQHHQSA-N 402.499 1.554 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300367285 BIAFSRWAFNARJP-HXUWFJFHSA-N 422.533 1.895 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1300419160 HIIRXBJKFBIDJN-UHFFFAOYSA-N 400.527 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCC)C1 1300557231 RDHNDOHZFMTBOE-QZTJIDSGSA-N 420.583 1.083 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCc2cccnc21 1300664991 GEBKXYIJPBHXFH-ZWKOTPCHSA-N 408.506 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCC2(O)CCC2)CC1 1300727184 WZTMJRXIKBJFKV-UHFFFAOYSA-N 422.533 1.535 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301054691 VCFJLLYHYICLAS-CVEARBPZSA-N 407.471 1.425 30 10 HDEE COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1=O 1301862465 HTHOVSVCUPCWCR-IAGOWNOFSA-N 411.510 1.497 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1301920726 NKLCXAZEJRLXSP-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 1301957496 FNXBSOUKECDHPZ-ZIAGYGMSSA-N 423.963 1.810 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1Cc2ccccc2O1 1302100212 XDPVNLKSIGLQEL-KBAYOESNSA-N 413.478 1.735 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1303643636 ZZCKSZZWRWAFKH-LSDHHAIUSA-N 418.523 1.813 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1nc(C#N)cs1 1304187630 SDDRCGYJJHPYFZ-OCCSQVGLSA-N 407.540 1.857 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCc2c(I)cnn2C)CC1 1311890926 FCUQPPIQGVLRDR-UHFFFAOYSA-N 417.295 1.864 30 10 HDEE N#Cc1cccc2c1CN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C2 1312587917 ZDHZLHGHYIYXBA-UHFFFAOYSA-N 406.414 1.840 30 10 HDEE N#Cc1c(CCCNC(=O)NCCC[C@@H]2CCOC2=O)nn(-c2ccccc2)c1N 1313243873 KXUIQCNORWQDBY-OAHLLOKOSA-N 410.478 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1358896324 BCMPYIHKEKLMIV-INIZCTEOSA-N 409.490 1.872 30 10 HDEE C#CCCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1358927911 NEYLNWRYJKTROQ-GOSISDBHSA-N 423.583 1.836 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1358929571 CSSVOKQCZUTEDL-DLBZAZTESA-N 407.540 1.261 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1358937852 JKPBRJDCRRGQMC-JTDSTZFVSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1358957131 QEDACUFTZYYANV-LJQANCHMSA-N 410.503 1.447 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1358957256 RTCZTDNNZYYFDC-ZHALLVOQSA-N 419.595 1.903 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC1 1359014877 AIGOKCMLCBBSNL-ROUUACIJSA-N 403.527 1.326 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)no2)CC1 1359031000 MRLLCNFTDBSVHY-HXUWFJFHSA-N 400.483 1.030 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2c(C)nn(C)c2C)CC1 1359034182 GUKDWNOMLCAKJE-UHFFFAOYSA-N 404.522 1.802 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCOc2ccc(F)c(F)c2)CC1 1359039452 JTUUVZGCSFGQPH-UHFFFAOYSA-N 405.449 1.927 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C1 1359320378 PUMKJXATTDPDGB-HUUCEWRRSA-N 404.515 1.173 30 10 HDEE CC(C)(C)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359549475 QPJPYNBXXBFRJG-ZPHPHTNESA-N 413.526 1.602 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1436544181 WRBNLZURQVBSBG-INMHGKMJSA-N 402.451 1.615 30 10 HDEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)cc1C#N 1438857499 XSVGBHWCCCDRGQ-UHFFFAOYSA-N 421.500 1.913 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)c1 1449736129 YFJYPLXRPXNURK-INIZCTEOSA-N 412.458 1.860 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCC1 1451522955 JYCIGLAAJVVWQT-UHFFFAOYSA-N 402.469 1.068 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4nc[nH]n4)CC3)C2)C1 1452536895 BFYWMYOTESXNLJ-CHWWFWEZSA-N 415.498 1.240 30 10 HDEE C[C@H](CC(=O)N1CCO[C@](C)(C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1454976509 QIMHRVSLBCLICK-BZNIZROVSA-N 419.425 1.684 30 10 HDEE COc1ccc(-c2cncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)c(C)c1 1457198632 JLXRRDXHLKVPKF-UHFFFAOYSA-N 417.425 1.897 30 10 HDEE CCN(CCC#N)C(=O)CN1C(=O)N[C@H](c2cc(Br)ccc2OC)C1=O 1458958896 MJAOAJCJGMGSQD-OAHLLOKOSA-N 423.267 1.813 30 10 HDEE CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@@H]1C#N 1460600416 FHODWKGBCFINNH-CRAIPNDOSA-N 406.508 1.270 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2cccc(C#N)c2Br)C1 1461636751 OABZVIHCPUHMTQ-WCQYABFASA-N 409.236 1.888 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2ccc(C#N)cn2)C1=O 1468690615 JCKFMOHRCXJXAZ-INIZCTEOSA-N 401.467 1.333 30 10 HDEE CC1(C)C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(F)cc2O1 1469485265 AOEZWJMLDNSXAS-HNNXBMFYSA-N 413.409 1.828 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 1469699193 NIYSMTZLAPCGJT-UHFFFAOYSA-N 401.438 1.741 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1469984473 YUWRMTZLXVKXKJ-UHFFFAOYSA-N 408.596 1.833 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccsc2C#N)CC1 1470097001 RWYXRSHTQYTNAK-UHFFFAOYSA-N 424.573 1.821 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 1471825916 LZIDKFVDWYMNRE-HOTGVXAUSA-N 404.536 1.700 30 10 HDEE O[C@H](CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C[C@@]1(O)CCOC1 1473849266 ZXXVCROOJSOAOP-ZDCRXTMVSA-N 413.305 1.992 30 10 HDEE CS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1474814744 GDDLAJDJSKGYBY-UHFFFAOYSA-N 422.326 1.023 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 1475242640 VIBQJYFDUHSHQZ-LSDHHAIUSA-N 401.529 1.434 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 1478825760 DEPQXHYGEONYNU-GOSISDBHSA-N 408.437 1.729 30 10 HDEE CO[C@@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1503942729 UPHPDWVBOBAZEU-KRWDZBQOSA-N 418.505 1.892 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507559523 QYGQMCOOYJJJDV-INIZCTEOSA-N 405.528 1.000 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCCC1 1507636322 CGCAJVJKBVGYHJ-GOSISDBHSA-N 405.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1OC 1507637084 GZEVEFHITKUXOD-UHFFFAOYSA-N 407.474 1.652 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCO1 1507703967 KRETYSSVTCJQRX-RXVVDRJESA-N 404.511 1.750 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cl 1507710219 CZCXQMKFMKWRGW-MRXNPFEDSA-N 422.938 1.968 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1507744001 MQQMLSPLZJYOHP-UHFFFAOYSA-N 418.567 1.278 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H](O)C1 1507773581 UEIAPDOYUSRJRK-PDOICOKGSA-N 406.552 1.723 30 10 HDEE C=C(Cl)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507873648 DCFBFQPHRHFVHA-GOSISDBHSA-N 413.906 1.153 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCCN(CC)C(=O)C1 1508144780 GUWBDBFRNHMEEK-UHFFFAOYSA-N 411.572 1.526 30 10 HDEE CC(C)OCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1509848958 BVNXSTMVCZBJLI-HOTGVXAUSA-N 411.528 1.114 30 10 HDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@@H]1C 1512331026 DPXRKLBUVNEYTH-DLBZAZTESA-N 424.505 1.822 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1512715517 PGZBNCMNJXKTIL-LRDNONRASA-N 416.482 1.532 30 10 HDEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)CCO1 1513594724 FPDOBRXIJWYGHU-OAQYLSRUSA-N 412.494 1.870 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccn(C)n1 1517099271 WUJATONVKZUJRV-UHFFFAOYSA-N 406.494 1.949 30 10 HDEE COCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1518795047 AIBBEZYDEFQBLX-KRWDZBQOSA-N 416.526 1.726 30 10 HDEE COCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)cs1 1518824536 BODWPJCHUTVFPX-CYBMUJFWSA-N 403.512 1.904 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc1 1527047007 DOYJMXUCJGYGHE-MJGOQNOKSA-N 423.535 1.311 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cn3nnnc3-c3ccccc3)c2C#N)C1 1529938798 NZWUKDXOQSTSID-UHFFFAOYSA-N 407.459 1.817 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1538973733 PSXWDEHLPJOPLO-HUUCEWRRSA-N 404.540 1.719 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2cnnn2C)c1 1539042453 GEASQUHTKVLRQA-UHFFFAOYSA-N 406.494 1.710 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539095547 GOZRVTNURWHOMJ-QZTJIDSGSA-N 419.526 1.243 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1539141202 DQUREFXCKFKHLA-RDJZCZTQSA-N 410.540 1.429 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539180038 VJJAFKOHDUOUTR-MRXNPFEDSA-N 403.508 1.150 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539226441 YBPJGPDNAKQEIZ-KRWDZBQOSA-N 421.567 1.164 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H](OC)C(F)(F)F)CC1 1539454179 ZKIRYHUQNGCBHM-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)CC1 1539874719 OSSPTEOBTMUBDO-DOTOQJQBSA-N 422.599 1.775 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1540068925 GGQZQFXJHPFLII-RTBURBONSA-N 410.522 1.752 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ccc3N)CC2)cc1 1540728530 KVNWHULNUSEHNY-UHFFFAOYSA-N 404.879 1.941 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCC(=O)NC 1540872900 FJFKENGEQLNBRT-UHFFFAOYSA-N 409.494 1.225 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N2CCOCC2)C1 1540887626 ANFIAUHJYOLOOB-KRWDZBQOSA-N 412.494 1.370 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2nnc(C)s2)C1 1540890733 JEUPYMGOFCHIJN-LSDHHAIUSA-N 417.539 1.803 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541800516 BDFRACURRRBTAL-JKSUJKDBSA-N 402.524 1.965 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 1542948684 BMVIUXREUQLCHV-KRWDZBQOSA-N 409.527 1.684 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(CC3CCOCC3)CC2)c1 1544065420 XJFBKOYRMLNNBF-UHFFFAOYSA-N 409.483 1.307 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1545128970 BRJKLNGSGJWUAB-CQSZACIVSA-N 420.564 1.650 30 10 HDEE CO[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1554667736 DJTXJLJGFZTWGP-LSDHHAIUSA-N 416.507 1.423 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@@H]1C 1555167972 LLLXKEKPABUWBJ-WMLDXEAASA-N 403.508 1.723 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCN2CCCO)C[C@@H]1O 1555941090 VTKBSRQZBGHZDJ-UIFIKXQLSA-N 424.549 1.871 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)C1 1555983703 ABBXFKPRQOFPCU-IBGZPJMESA-N 413.413 1.821 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC[C@](C)(C#N)C2)c1 1557619740 HOTCBTLYCBRDOF-LJQANCHMSA-N 406.508 1.209 30 10 HDEE Cn1cncc1[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1557698226 VFBDGHFDIBJZSE-FEDUSRTKSA-N 403.483 1.357 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC2CCOCC2)C(=O)OC)c1 1558132775 ZATOAFPJGXKVNB-KRWDZBQOSA-N 410.492 1.239 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1558605958 HGXSSNDKCHULDB-UHFFFAOYSA-N 414.458 1.639 30 10 HDEE C[C@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1558642691 ANKZPKBPZLIKMO-NUEKZKHPSA-N 402.394 1.310 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C2)c(C#N)c1=O 1559274255 SMZYVYPGBHODDN-ONGXEEELSA-N 417.388 1.085 30 10 HDEE C[C@H](c1cccc(C#N)c1)N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 1561678217 AQUZWAIRZPDAKY-OAHLLOKOSA-N 407.517 1.859 30 10 HDEE C#CCC1(NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CCC1 1564012808 MNYGYNZXNDGNTI-UHFFFAOYSA-N 404.536 1.368 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 1564416895 GUHMJSCBVIBRBQ-KBXCAEBGSA-N 401.529 1.676 30 10 HDEE C=CCn1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)nn1 1564717238 ASYMGQDEPAFCTP-UHFFFAOYSA-N 412.903 1.204 30 10 HDEE C=CC1(CC(=O)NC2CCN(C(=O)CCOC)CC2)CN(C(=O)OC(C)(C)C)C1 1566376250 JRVLONVVGYDNMP-UHFFFAOYSA-N 409.527 1.943 30 10 HDEE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[C@H]1CCCN(O)C1=O 1569676174 OLVCFINRAZPLQB-INIZCTEOSA-N 424.486 1.918 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(NC(=O)OCC)ccc2Cl)CC1 1585000007 JVKDGJCHSJDJPW-UHFFFAOYSA-N 420.897 1.806 30 10 HDEE C[C@H](CN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1585417590 CNZDUFRVOBZVEI-SFUYWUKASA-N 419.570 1.525 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(CC#N)cc3)C2=O)cc1 1586006184 LONPGPSFOWOACK-QFIPXVFZSA-N 406.442 1.845 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1587909186 FZEBQLNESYLGGL-FZKQIMNGSA-N 423.564 1.507 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1587969583 BAQGHZDXFABHLN-SFHVURJKSA-N 407.478 1.779 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1587998878 MQBSGZLQZKWQNA-VXPUYCOJSA-N 408.437 1.604 30 10 HDEE C#CCN(c1nnc(C)n1Cc1coc(-c2cccs2)n1)[C@H]1CCS(=O)(=O)C1 1588034374 FECHXFDKFRBYNQ-HNNXBMFYSA-N 417.516 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1588109841 PJMQUZKDWNSONF-UHFFFAOYSA-N 418.910 1.102 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NCCC 1588154636 HGRZSVFSLPCLPH-UHFFFAOYSA-N 403.490 1.506 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)NCC=C)CC1 1588780969 ZFPGSIBSCFWCEI-UHFFFAOYSA-N 424.505 1.020 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1588843486 CWXOYEFQHOJMFL-ZDUSSCGKSA-N 405.314 1.561 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(N)=O)nc2)CC1 1588923643 HJOHBIFWHHXJHH-UHFFFAOYSA-N 421.505 1.054 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1589116781 NGUCNVQZLWXCRM-UHFFFAOYSA-N 401.492 1.168 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1595260015 FUMHOENXYAJTAG-INIZCTEOSA-N 420.535 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1595537534 SGHIDJZPYQUZOR-GJZGRUSLSA-N 421.505 1.586 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595544338 HFWJFLRWFULDOX-FUHWJXTLSA-N 413.526 1.624 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCOCC1 1597739503 GJHUUBCNNCNYLY-BRWVUGGUSA-N 419.526 1.467 30 10 HDEE CC(C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1597841551 TYKBBJUDUXTEGB-UHFFFAOYSA-N 405.462 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)CNc3ccc(C#N)cc3)CC2=O)C1 1603254317 MBKXNPJYVNFUTO-MRXNPFEDSA-N 413.478 1.307 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ncccc2Br)c1 1607504839 KUKWPMYOFXUSJM-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1612877578 CPCXPWOTNXPEQU-JLTOFOAXSA-N 412.519 1.352 30 10 HDEE C#CCOc1cccc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1617272386 CJZZQBAANCVSBD-KRWDZBQOSA-N 408.863 1.630 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1622217587 CNCCOQAOLOYIJZ-OAHLLOKOSA-N 413.471 1.920 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1623127365 AZLPOGSPPKISSN-SFHVURJKSA-N 401.463 1.608 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1624729518 JGUFEHXKJFRNMZ-ZIAGYGMSSA-N 424.523 1.828 30 10 HDEE N#Cc1c(CCCNC(=O)Cn2ncc3cccnc32)nn(-c2ccc(F)cc2)c1N 1625433444 PLEKMILBIYHJJU-UHFFFAOYSA-N 418.436 1.959 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3n[nH]cc3C(=O)NC3CC3)CC2=O)cc1Cl 1627680699 AKIVGBMMTIAGQJ-NSHDSACASA-N 412.837 1.819 30 10 HDEE N#CC1(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CCSCC1 1628564866 KAPKXNVHQKXETC-UHFFFAOYSA-N 408.568 1.100 30 10 HDEE C=CC[C@H]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1630228108 QHCLWECNDNBEAK-INIZCTEOSA-N 407.536 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCC(CO)(CO)C1 1630552875 DZAVJEOERXFHPM-GOSISDBHSA-N 415.490 1.596 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1637390749 XPBYBTOVPIGCQG-IXDOHACOSA-N 405.499 1.461 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)cc1 1637529039 YIZMUFQVZIXHJW-NRFANRHFSA-N 416.499 1.330 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cccn3c(I)cnc23)C1 1638075396 QRRHCFHGBWGUKA-GFCCVEGCSA-N 408.243 1.766 30 10 HDEE C=CC[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1638326933 ZNSUUWWXIYIUBD-KBPBESRZSA-N 418.512 1.035 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1638339787 BUBUNSABNPMLSF-CVEARBPZSA-N 413.540 1.465 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 1638883572 VGZGCAZEQPPJPS-UHFFFAOYSA-N 403.426 1.444 30 10 HDEE N#CC1(CNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1638989737 DGVCWTVCXMFGCI-UHFFFAOYSA-N 406.508 1.413 30 10 HDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@](C)(O)c1ccccc1 1639708668 FHOSJOQWJACOAL-BTYIYWSLSA-N 415.515 1.918 30 10 HDEE C[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1S(C)(=O)=O 1640497756 DGUXQMHPCVSEGI-OAHLLOKOSA-N 413.540 1.129 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN(CC(F)F)C1 1643437002 KGMZNSWPYBWOLP-ZDUSSCGKSA-N 414.478 1.209 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)nc1 1645084884 GDGYPGVLWOJDJG-HNNXBMFYSA-N 416.279 1.981 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2nc3ccc(C(F)(F)F)cc3[nH]2)C1=O 1645277021 XYKLGPAPCMWBSR-UHFFFAOYSA-N 423.351 1.517 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](Cc2nccs2)C1)c1cc[nH]n1 1645708648 GUYZZBUSXJONFB-ZDUSSCGKSA-N 405.480 1.631 30 10 HDEE CN(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1ccccc1 1646095066 FMDHWDSHIHGAQG-QGZVFWFLSA-N 413.503 1.677 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 1648783392 UEUQIMJKYLTSTM-LJQANCHMSA-N 417.443 1.144 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1649541736 IGMHGFFDZQXWAW-QFIPXVFZSA-N 424.505 1.746 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1650765817 KPHLMEIYJFVCNU-AKCBPTIMSA-N 423.413 1.246 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NC(=O)c2ccc(OC(F)F)cc2)c(=O)n1C1CC1 1652150039 ZPEUVFVKLDHEJS-UHFFFAOYSA-N 418.356 1.083 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 1655083482 UJOQURRXFIKWSM-UHFFFAOYSA-N 402.436 1.096 30 10 HDEE Cc1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OCC(F)(F)F 1669382772 CVEOWAVSMWPSST-UHFFFAOYSA-N 411.340 1.892 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1 1669870564 LYOPOZVZKZEKIE-UHFFFAOYSA-N 403.460 1.227 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 1678520243 RNPFWJIAIZHYRM-KBPBESRZSA-N 410.462 1.150 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(O)(COCCO)CC3)CC2)c1 1686929750 QLHZOLLIRFQLPE-UHFFFAOYSA-N 416.522 1.068 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCCNC3=O)cc2)n1 1687179548 JXYMQUZLZKGTET-UHFFFAOYSA-N 424.505 1.794 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(C2(C)OCCO2)cc1 1687281294 ADKZFWRNJGCNPW-INIZCTEOSA-N 422.489 1.988 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1690067584 CHAMHFBUJKLVIT-UHFFFAOYSA-N 423.477 1.633 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C2CC2)N(C)C)CC1 1690152520 OAYOUYYUQWAJQX-SFHVURJKSA-N 402.543 1.121 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1690497956 ZDSUCAGNWCGRER-HNNXBMFYSA-N 414.466 1.517 30 10 HDEE CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1695551916 METOVBXHAHWLRJ-CABCVRRESA-N 419.507 1.698 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1697139758 XAUUQEAOUVVLCY-JHJVBQTASA-N 423.461 1.743 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)C(C)(C)C 1698230344 CBDFZFGLFJJZRT-PMPSAXMXSA-N 406.531 1.760 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1698242431 LGTHLGBXHSROEV-KEYYUXOJSA-N 415.450 1.514 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1698242432 LGTHLGBXHSROEV-ZQIUZPCESA-N 415.450 1.514 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)C1 1698483434 BZAOMPGNRDRLLH-NRFANRHFSA-N 420.452 1.536 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705534689 ONPSGWYROOLTOS-MSOLQXFVSA-N 411.462 1.155 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1705566458 OKFDYTOEPZALIY-MRXNPFEDSA-N 400.508 1.718 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC)cc1 1705625892 ASUYJMNUXMKZDO-UHFFFAOYSA-N 421.505 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccnc2OCCOC)CC1 1705645402 SLUQYZHLTWQFOK-UHFFFAOYSA-N 412.494 1.021 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnn(C)c2C)CC1 1705649427 XIPYOZGYWFTGPL-UHFFFAOYSA-N 406.494 1.329 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705662486 ZZMSNAIYEMOLKA-JKSUJKDBSA-N 407.540 1.863 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705805861 QAKSYRIFGNKXIC-HUUCEWRRSA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1705833100 UNRZUKRGTRHNCM-FQEVSTJZSA-N 423.514 1.411 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N(C)C 1705881165 DIQFBUWPMIRKOX-UHFFFAOYSA-N 414.510 1.874 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705907996 DVAKTIFFZXRNQN-RTWAWAEBSA-N 419.526 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705933965 XKYFRUZAYUTXSJ-AWEZNQCLSA-N 407.496 1.114 30 10 HDEE CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1708774884 UFCAVMFCNLFDGC-KSZLIROESA-N 406.531 1.605 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1710326522 ANBMZJGIGFUZAH-MSOLQXFVSA-N 410.478 1.309 30 10 HDEE N#Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@H](CC(N)=O)C2)o1 1712880697 FDHUCVALORIVAA-MRXNPFEDSA-N 405.462 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2nccn2C(F)F)CC1 1722446930 BPNKWYMDECQBJN-UHFFFAOYSA-N 403.437 1.761 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCOCCN(C)C 1722478821 ZHEFSHVZRDYSRU-BBTUJRGHSA-N 405.543 1.572 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1722628991 FEQGFXMVDINQFY-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1722697462 KYQRAIZMQSURMJ-MSOLQXFVSA-N 412.494 1.335 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)C1 1722718273 ICDFLUWGLLLYFW-IXDOHACOSA-N 408.524 1.654 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)C1 1722718538 LCFXOMURZDCYCM-FRQCXROJSA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722737301 AHADUYPMYHBWMJ-CQSZACIVSA-N 408.553 1.668 30 10 HDEE Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cs1 1725453776 DAMRCLDLULAQNO-RYUDHWBXSA-N 411.557 1.634 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1740578465 BHBMOUIKAVOGSF-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1740596418 FEXHMGVXMBPNTG-NRFANRHFSA-N 401.511 1.450 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(O)cc1 1740645731 KXHDKNXYMHBOLQ-HNNXBMFYSA-N 401.492 1.105 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NCCC)CC1 1740692733 LTNSOGFRPLFEPP-UHFFFAOYSA-N 417.517 1.775 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1)C1CC1 1740912876 VRNKCVZDAOGQBY-UHFFFAOYSA-N 413.526 1.543 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740946249 DDHRIBHIWQYYBX-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1740951299 FAJMKXHQDPUJIN-UHFFFAOYSA-N 424.549 1.903 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cnnn1 1743679113 OJEXKCIIFWZLAC-CYBMUJFWSA-N 408.470 1.403 30 10 HDEE CCCN(CCC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1745635518 KLQTYTLNQSKVHK-ZPHPHTNESA-N 412.498 1.831 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747791095 AOPICWVJAJETCS-AWEZNQCLSA-N 401.448 1.923 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)nnc1C(C)(C)C 1748764102 HSCLUZUJFGGNPO-QGZVFWFLSA-N 423.583 1.620 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCOC1 1748831647 SEESGZRJULHWLR-HXUWFJFHSA-N 402.401 1.771 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCO2)CC1 1749016788 OOVQGPDHUMDJSA-HXUWFJFHSA-N 422.533 1.799 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749038878 MKSKXWOLZSUPFH-IAGOWNOFSA-N 405.568 1.889 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CC(N)=O 1749142061 OCZYVMHVJFKIKD-DZBHQSCQSA-N 421.542 1.683 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749456597 ISDYPBMSPQZLSD-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1749593870 BDAZKJCKBKXXJF-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749655063 BUMMUXHSUNBFDC-YJBOKZPZSA-N 415.494 1.496 30 10 HDEE C#CCN(c1nnc(C)n1CCCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760181577 XVXIPQAPTLPKOV-SFHVURJKSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1760193286 CFOWSSHHLNJAMU-INIZCTEOSA-N 419.551 1.094 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(SC)CC2)CC1 1760256768 KOKCYJCJPXOQBH-FQEVSTJZSA-N 405.568 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccoc2)CC1 1760271039 JKHXYCLNMWAOHN-UHFFFAOYSA-N 410.478 1.008 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCS(=O)(=O)C1 1760288726 IXAKDLBTSNYXJM-TXPKVOOTSA-N 410.540 1.429 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760450521 MRGUWQBWYJWAQL-KRWDZBQOSA-N 403.527 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CCNC(=O)C(C)C 1760520339 KKNCNULKIIIPNI-UHFFFAOYSA-N 402.474 1.595 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCC2)C1 1760545413 UEUKUGYVZDQFOV-KZNAEPCWSA-N 402.543 1.742 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1761547435 DTBFGNPBGWCXDZ-OPAMFIHVSA-N 421.505 1.433 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nncn2C)cc1C 1761806123 CWAXRAKDQFLPRS-HXUWFJFHSA-N 423.456 1.766 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC(=O)N1C 1763078567 OHWKIVCOVZTAOB-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)cn1 1768654146 HVBXWGSYCQAYLT-UHFFFAOYSA-N 408.487 1.837 30 10 HDEE CN(CCc1cnccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768858822 JSBKOZRSZYEEPZ-FMQUCBEESA-N 422.493 1.226 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)C1 1771528257 MJNACTJHGHTHDX-PXAZEXFGSA-N 421.383 1.792 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC(F)(F)F 1772845312 YPGFHPNHJKGEIV-NSHDSACASA-N 424.449 1.555 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CCn3nc(-c4cccnc4)ccc3=O)CC2)CC1 1849120763 FAHVOGUGKXDOGY-UHFFFAOYSA-N 420.517 1.922 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 1850003870 CBPNSJXSUMRBNU-GOSISDBHSA-N 408.499 1.331 30 10 HDEE C=CCN(C(=O)[C@H]1CSC2(CCC3(CC2)OCCO3)N1C(C)=O)c1ncccn1 1851628855 OGPHSNBZPXMULE-MRXNPFEDSA-N 418.519 1.973 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3ccc4nncn4n3)CC2)n1 1851759477 RPLPYQQRHGGBRM-UHFFFAOYSA-N 416.367 1.681 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1=O 1853683739 ZDPUPFPJZZQJES-PMACEKPBSA-N 413.518 1.864 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC(Cn4cncn4)CC3)CC2=O)cc1C#N 1854048103 CXZAWXLKIGIBEU-SFHVURJKSA-N 406.490 1.859 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854262663 MGNHKBZEAGHBOG-RBUKOAKNSA-N 404.474 1.690 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2c(C)nn(C)c2C)C1=O)[C@@H]1CCN(C)C1=O 1854263483 VBJDATOVPQHADX-DLBZAZTESA-N 401.511 1.277 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCOC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516685 PUBJEAYIWNZBLP-OAHLLOKOSA-N 405.476 1.123 30 10 HDEE CCn1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1=O 1855142176 KNJIXQPQMFBWQG-OAHLLOKOSA-N 406.442 1.296 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3cccnc23)CCN1CC(=O)c1ccc(C#N)cc1 1855166889 VLFCHMIVXKMIDE-AWEZNQCLSA-N 402.414 1.157 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 1855421470 SRWRGNHQYBMYQN-JKSUJKDBSA-N 400.454 1.789 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)COc3ccc(-n4cnnn4)cc3)C2)CC1 1855596879 RNVJEUTXNPXUGP-QGZVFWFLSA-N 410.478 1.458 30 10 HDEE C[C@H]1CN(CCCC#N)c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C1=O 1856133166 CFAKDVJHECLUFM-HNNXBMFYSA-N 404.492 1.342 30 10 HDEE CN1CCN(C2CCN(C[C@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)C1=O 1856142744 YQTRDKURZMZIJU-QGZVFWFLSA-N 409.490 1.379 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)[C@H]4CCCOC4)C3=O)CC2)n1 1856974384 GNMBQXREHPVJKT-HKUYNNGSSA-N 412.490 1.598 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@H]1CCN(C)C1=O 1857046243 RADQQNFJMGPBKM-HIFRSBDPSA-N 422.888 1.972 30 10 HDEE COCCN(CCOC)[C@H](CCOc1ccccc1)C(=O)N1CCC(C=O)CC1 1860616963 VCRQAUFHCFGDIR-OAQYLSRUSA-N 406.523 1.856 30 10 HDEE O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1 1860636384 ZBGLQZKEGTWFQH-HWKANZROSA-N 401.810 1.969 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCCO)cn1CCN1C(=O)CSC1=O 1870361069 MWMUYBAHAABATQ-UHFFFAOYSA-N 421.519 1.479 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870541408 DOUZAHVGXGEKPS-ZIFCJYIRSA-N 419.522 1.318 30 10 HDEE CCc1nc(C2=C(N)N(c3ccc4c(c3)OCCO4)CC2=O)sc1C(=O)OC 1872724770 RCBVZSDDENMTMR-UHFFFAOYSA-N 401.444 1.980 30 10 HDEE COc1cc(Cn2cccc(C(=O)NCCN3CCC(C#N)CC3)c2=O)cc(OC)c1 1890031218 ACJNXGMHIMESPU-UHFFFAOYSA-N 424.501 1.879 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(CC(=O)O)s2)CCN1Cc1ccccc1 1914765330 VWQIKZVVADONDD-HNNXBMFYSA-N 405.501 1.774 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046019496 OEYVUVDNVVNVEY-IBGZPJMESA-N 410.467 1.312 30 10 HDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CSc2nnnn2C)nc1C(F)(F)F 2084272959 HONDAWYSOOIOQG-ZCFIWIBFSA-N 420.398 1.831 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H](C)N1C(=O)OC(C)(C)C 2174787849 YTBPOXLWZRPZJZ-GASCZTMLSA-N 401.529 1.966 30 10 HDEE CC1(C)OB(c2csnc2CN2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2227242981 MVIFPNZOGGXAND-ZDUSSCGKSA-N 404.388 1.362 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)C[C@@H]3CCC3=O)ccc2Cl)OC1(C)C 2241158152 HFUQJYLQRNECTQ-JTQLQIEISA-N 400.693 1.755 30 10 HDEE C=CCN(CC(=O)N(CCO)CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2241404242 XAJQUOAWJQLUKZ-UHFFFAOYSA-N 401.504 1.755 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)co2)OC1(C)C 2243369721 GRLCWAXOEYWCMX-UHFFFAOYSA-N 402.178 1.329 30 10 HDEE C[C@H](CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243402295 GAWLFRAHWKIZLY-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2247822369 DGZBIEYYGZTHBB-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE CC(C)[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247828303 NEXJUALFOXJDTQ-CQSZACIVSA-N 422.335 1.988 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2247845416 QISMIVNKDWVRHI-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247907021 UOOWZPLQCMHGDU-UHFFFAOYSA-N 411.267 1.591 30 10 HDEE C[C@@H](CN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247914968 UAGOOFXCELTCPM-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)nc2)OC1(C)C 2247927842 RDOCULRJFMWMMM-UHFFFAOYSA-N 413.205 1.131 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267713819 ROTGZGNMEXGKSA-OAHLLOKOSA-N 407.388 1.440 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CCN=c2[nH]cc(Br)cc2C#N)nn1 2271596661 MBSOSXMKHIXXKP-UHFFFAOYSA-N 422.287 1.866 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](O)C[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304565 MDHAWLNLYMMDHN-VXGBXAGGSA-N 405.322 1.449 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)N[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312529 XPUCZDGAHUPRPQ-STQMWFEESA-N 400.375 1.727 30 10 HDEE Cn1c(O)nnc1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282323077 VSHLSDKVKPPESG-UHFFFAOYSA-N 420.709 1.336 30 10 HDEE Cc1cc(S(=O)(=O)N2CCSC[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282325231 BJNJEGSJSBCGIQ-GFCCVEGCSA-N 419.399 1.454 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C 2282341010 MLYFLZWNUYZHSZ-ZDUSSCGKSA-N 402.391 1.912 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCO[C@H]2CCOC2)OC1(C)C 2282490022 IMCVCLHDGGPIQK-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282494765 BWSMKEMYGBZIRD-GFCCVEGCSA-N 401.721 1.855 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(F)(F)CO)c(Cl)c2)OC1(C)C 2282506997 AGWRSRDURUELMO-UHFFFAOYSA-N 411.663 1.545 30 10 HDEE CNC(=O)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282508732 AJYFSVABIZCANM-UHFFFAOYSA-N 423.127 1.317 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H](CF)C(F)(F)F)OC1(C)C 2282511213 KVEPBXFZIGWCHR-VIFPVBQESA-N 418.243 1.762 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282539133 PNBQDYHZNRYXNC-RYUDHWBXSA-N 401.359 1.941 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCS1(=O)=O 2282617273 FMMPYSJRJIJRQY-JTQLQIEISA-N 419.761 1.960 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC(F)(F)C2=O)OC1(C)C 2282833853 LKTYVWSLXIOIEY-UHFFFAOYSA-N 408.257 1.140 30 10 HDEE COCCN(C(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836763 ORXFWOPNPAKPDF-UHFFFAOYSA-N 404.363 1.629 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCC1CNC1 2282838996 XIYRIDUMUGASBX-UHFFFAOYSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CCCCN3)c2)OC1(C)C 2282847899 GIMQMDZJONWXDN-AWEZNQCLSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC[C@@H]3CO)s2)OC1(C)C 2282850709 SCQDECLQAGEDCY-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@](C)(CO)C2)OC1(C)C 2282850764 SSKTUXSKQBDSBM-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CN(C)[C@@]1(C)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282876738 IARUAQQTPBWUGB-KRWDZBQOSA-N 400.375 1.762 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284405399 KEFZAJOTJHIKIC-CYBMUJFWSA-N 401.315 1.080 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC(F)(F)C[C@H]2C#N)C1 2286069987 NFLFMOJATFYMLK-NWDGAFQWSA-N 407.439 1.170 30 10 HDEE CCOc1ccc(C=CC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 2325666104 KAXJVEFMBVSXDO-UHFFFAOYSA-N 404.444 1.962 30 10 HDEE COC1(C#C[C@H](N)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363598461 RMZRXWMPTYVTQI-JKSUJKDBSA-N 400.541 1.701 30 10 HDEE CC[C@@H]1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365195996 HTMZECOGOLQLJT-ZRGWGRIASA-N 402.557 1.681 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200639 AAGMXIGILXUKJD-GDBMZVCRSA-N 403.541 1.930 30 10 HDEE N[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@H](O)c1ncc(Br)cc1Br 2367291207 PFWHLGMECQCBKB-HRKIMZGRSA-N 402.086 1.863 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367793743 DMTLMCGJGRNAAR-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367794163 GIAQPXSNWHCZCY-CABCVRRESA-N 414.549 1.911 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@@H]([C@H](O)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367801629 UWVHFFXTNHZVMZ-SBUZTJRASA-N 405.463 1.867 30 10 HDEE CO[C@H](C#C[C@H](O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1CCCC1 2369617574 BOJQPXQGFRQKPD-GJYPPUQNSA-N 401.525 1.638 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1cccc(C)c1 16893838 FPZTVYLNRULURZ-HNNXBMFYSA-N 403.464 1.371 30 10 HDEE COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 102697061 HZJACASCSXONKA-LCPUNJGISA-N 423.469 1.844 30 10 HDEE CS(=O)(=O)OCCC[C@@H](COS(C)(=O)=O)NC(=O)OCc1ccccc1 103713783 KCFOBEWHXVUCNN-AWEZNQCLSA-N 409.482 1.014 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)[C@H]1CCS(=O)(=O)C1 111192529 QGZJIUQFOXOKBL-ZDUSSCGKSA-N 424.544 1.474 30 10 HDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254608631 SBUZTPLJWLNWOQ-JYJNAYRXSA-N 410.517 1.471 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])CC1 301151995 KUJOBUOZPZFGBK-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE N#Cc1cccnc1N1CCN(c2ccc(S(N)(=O)=O)c(C(F)(F)F)c2)CC1 301456545 WUSFUJKRMWEMSG-UHFFFAOYSA-N 411.409 1.946 30 10 HDEE C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@@H]1CCS(=O)(=O)C1 320717918 IDFWKNXOFDZKIT-LLVKDONJSA-N 401.238 1.620 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 431775061 VJJHWUWQMLXXHI-UHFFFAOYSA-N 411.256 1.417 30 10 HDEE COCCNS(=O)(=O)c1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1 438692202 PAWFYLYCBBMITM-UHFFFAOYSA-N 418.475 1.683 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)c(F)c1 440074130 NQHBKYSGMJRLGH-OAHLLOKOSA-N 415.537 1.477 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 468982189 MPIVWVYYPUGEKM-LJQANCHMSA-N 406.477 1.376 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)c(F)c1 478181454 SPSKVLUCIQXDMC-UHFFFAOYSA-N 422.482 1.762 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)CC(C)(C)C#N 497311262 MQAUKLWZXHFCQO-UHFFFAOYSA-N 422.551 1.643 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCSC[C@H]3CCO)CC2)cc1 511362625 PUNAFEGUQNKEII-QGZVFWFLSA-N 423.560 1.285 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccccc2C#N)c1=O 512719749 FLDWETHGEQGUNI-UHFFFAOYSA-N 417.494 1.715 30 10 HDEE CS(=O)(=O)N1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 518390387 JTGPIXMWOKCMBV-UHFFFAOYSA-N 400.460 1.853 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 519874619 MDJFJDGMWWSAFV-UHFFFAOYSA-N 411.418 1.312 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cc1 532194691 WAFYXCHPRQCZOG-UHFFFAOYSA-N 421.478 1.827 30 10 HDEE CN1CCN([C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2)CC1 546169608 COUVXTFSXBMTCW-JOCHJYFZSA-N 404.518 1.591 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCCN3S(C)(=O)=O)cc2C1=O 552716949 NOSHUXDOJARPDU-AWEZNQCLSA-N 405.476 1.013 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1C#N 563665130 HTTPBKBDDCZWQP-UZLBHIALSA-N 400.504 1.830 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1 570749008 GWVXXFGFURJWGO-UHFFFAOYSA-N 411.462 1.950 30 10 HDEE C[C@@H]1CN(C[C@@H]2CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@@H](C)O1 586861912 CVZFBBJHHDXLLF-RKVPGOIHSA-N 402.470 1.414 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 603866504 VLPCFKPDRWMJMG-UHFFFAOYSA-N 420.516 1.176 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(OCCCO)CC2)c1 611026288 VLCKDUMUUVCYDZ-UHFFFAOYSA-N 403.298 1.873 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 611108056 OWDNJMHKMCHWNH-UHFFFAOYSA-N 419.528 1.962 30 10 HDEE CN(C)c1c[nH]ccc1=NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 614050505 CVACRSXTXKNHLH-UHFFFAOYSA-N 413.503 1.481 30 10 HDEE C#C[C@]1(O)CCN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 708091035 UUVMJKRPAQLWOV-LBPRGKRZSA-N 424.114 1.553 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCCS(=O)(=O)N3CCOCC3)cc2)nc1 731981650 KIOPDOJAMRTBDP-UHFFFAOYSA-N 416.459 1.137 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCCO1 732561265 JPVFUZNBNWPFKV-GDBMZVCRSA-N 414.531 1.423 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F 732649919 UTDAIHPOFHYJJQ-HNNXBMFYSA-N 408.499 1.715 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccn(-c3c(F)cccc3F)n2)CC1 749379694 DDZOFHIIRCWMHJ-UHFFFAOYSA-N 401.417 1.048 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 750385180 QPSFLSSBGHIYKC-UHFFFAOYSA-N 422.484 1.238 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 763787209 QMTHNCXWTJGBJU-WMZOPIPTSA-N 420.487 1.709 30 10 HDEE N#CC(C#N)=c1sc(=Cc2sccc2Br)c(=O)n1C[C@H]1CCCO1 764977227 MRPGJERCRSQUEK-LLVKDONJSA-N 422.329 1.939 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 774233173 GTAYYJOEVWHDHD-ZWKOTPCHSA-N 403.504 1.322 30 10 HDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccc(C#N)cc1F 781118407 MIGAYCTYSTYGBP-UHFFFAOYSA-N 416.482 1.865 30 10 HDEE N#CC1(NC(=O)COC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CCC1 784244527 WICULCULMCDZEU-FQEVSTJZSA-N 401.419 1.178 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 789041094 XCTWTMKGSNMETP-XLIONFOSSA-N 409.490 1.868 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790197739 PMSVFFDWPBGMPS-JOCHJYFZSA-N 420.554 1.755 30 10 HDEE C=CC[C@@]1(C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)CCCN1C(=O)OC(C)(C)C 790581301 JJAJTCPNZYFBBB-BTYIYWSLSA-N 422.526 1.185 30 10 HDEE C#CCCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192553 TWPQCGDBWGVCNO-UHFFFAOYSA-N 402.505 1.117 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)[C@H](C)Oc1ccc(C#N)cc1 807923586 FYKAJVHKDAHVJU-MGPUTAFESA-N 403.442 1.981 30 10 HDEE C#C[C@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C(C)(C)C 812029434 BSSUEOJPIZDYLZ-JTQLQIEISA-N 408.304 1.258 30 10 HDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1C(=O)c2ccccc2C1=O 813516310 HRWBDFJIJKDBMZ-XJKCOSOUSA-N 412.446 1.546 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)c1cncc(C#N)c1)C(F)(F)F 813980134 RSXZKRLKDMIRJN-SNVBAGLBSA-N 408.358 1.214 30 10 HDEE C=CCN(C(=O)/C=C\c1cc2cnn(C(C)C)c2[nH]c1=O)[C@@H]1CCS(=O)(=O)C1 919989755 SMNXWLMPZLXRPQ-OGZRUICASA-N 404.492 1.520 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1136703377 NHLMQDQDGFCHHY-UONOGXRCSA-N 424.947 1.684 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)Nc1cnn(CC#N)c1 1142460873 AAVTVQGQKYEMHY-NWANDNLSSA-N 423.495 1.015 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](O)C(F)(F)C3)CC2)cc1 1146516476 FPKZGTURLDUKOD-INIZCTEOSA-N 413.446 1.187 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)c3nc(OC)ccc32)cc1 1155886777 OJJDAFCCXLDVHO-UHFFFAOYSA-N 400.460 1.098 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1158826153 QMVYHIMZKXMHSG-IIAWOOMASA-N 402.394 1.560 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 1159386147 RLKWJMCVOQYJEX-MXSMSXNCSA-N 419.547 1.809 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)cc1 1163736891 FHMXXPUKWZQVRH-UKRRQHHQSA-N 404.410 1.828 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1184743113 BYPLKQFHEJPKFQ-UHFFFAOYSA-N 400.460 1.246 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2CC#CCN2C(=O)c3ccccc3C2=O)cn1 1193963319 MUEUVKRHTADTSL-SLQAJWMNSA-N 410.499 1.308 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC(=O)NCC23COC3)n(-c2cccc(F)c2)c1C 1197532085 JHKCSRYZYYRCLF-UHFFFAOYSA-N 411.437 1.244 30 10 HDEE C#CC[C@H](NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)OC 1212123446 NAWMASRHGJPFKM-ZDUSSCGKSA-N 400.250 1.667 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1OC 1212415567 IBBZTXQNSFBYAX-UHFFFAOYSA-N 410.492 1.363 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 1222589583 CVKRVJPTNSEVHL-DNVCBOLYSA-N 407.478 1.317 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@]12CCN(C(=O)OC(C)(C)C)C2 1224763588 QVPAVXDTHHFTBH-GOSISDBHSA-N 401.529 1.772 30 10 HDEE C#C[C@H](NC(=O)NCCCN1CCCS1(=O)=O)c1ccc(Br)cc1 1230499300 UDUYMJZRUATTCW-HNNXBMFYSA-N 414.325 1.848 30 10 HDEE COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1230811356 DIAGHMBMUXFAKJ-QGZVFWFLSA-N 420.473 1.599 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(C(F)(F)F)nc1 1248421713 MJYWFMWDYUAHEM-WBIUFABUSA-N 402.398 1.741 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(n3ncc(C(=O)OCC)c3C)CC2)C1 1248676730 QQVNCQIVCZKXKN-QGZVFWFLSA-N 401.511 1.812 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cnn(CCC#N)c1C 1269647891 TVSNOQWLSUQCLR-UHFFFAOYSA-N 417.491 1.601 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1286316459 ISMBOJUKQPTHFK-UHFFFAOYSA-N 401.492 1.088 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286319512 LLWUGKDDOLQCNK-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286395325 ZUCLGNOVHUEBQK-LJQANCHMSA-N 419.595 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1nnnn1CC1CC1 1286405324 ACNBZVKYLGFIJA-UHFFFAOYSA-N 402.462 1.471 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1286445014 DXOMGTAYWYZMDT-KRWDZBQOSA-N 417.535 1.588 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1286730153 BSAVTAGZAUQBFK-UHFFFAOYSA-N 411.466 1.699 30 10 HDEE CCOc1cc(C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1296709572 GSQQTWXTASOAOQ-SFHVURJKSA-N 424.505 1.885 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC 1296884679 GEBSCQKCAFDRSI-HNNXBMFYSA-N 414.466 1.121 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ccn(C)n1 1299177405 BALGTGQHOOTCEM-CJNGLKHVSA-N 403.508 1.751 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1300491878 JKRQUFCJMYRULK-KRWDZBQOSA-N 418.494 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCc1n[nH]c(C)n1 1300673310 HTDYULAZCMCZFN-UHFFFAOYSA-N 400.512 1.389 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1300740785 DDMWZBSSGKHDQX-IBGZPJMESA-N 415.563 1.515 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3occc3[C@H]2C(=O)OCC)cc1 1300829124 PKUCMHOUHBPZII-SFHVURJKSA-N 416.455 1.494 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300905798 FJHXHKRTVQZVAD-FQEVSTJZSA-N 420.535 1.906 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCS(=O)(=O)C1 1301967216 BDTVPLSIWZGPEC-XHSDSOJGSA-N 413.544 1.565 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1301973151 BBHRBOUYXMEDAZ-FZFLATATSA-N 420.477 1.386 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1302465912 HBJQNSDNJGSBMO-ROUUACIJSA-N 415.519 1.724 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1303366548 RCDKUQSOYKJINV-OAHLLOKOSA-N 422.493 1.732 30 10 HDEE C[C@H]1CSCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1305239341 UUSLKBKOZOFMQJ-STQMWFEESA-N 407.521 1.635 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc3c(c2)CCC3)c1=O 1307378986 RGBHJTHHDKYZRN-UHFFFAOYSA-N 409.442 1.595 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1309494718 VDVFFSZWIKJZFF-ZWKOTPCHSA-N 412.508 1.271 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1)C1CCOCC1 1313042661 HYVNRJMRYHZADD-HXUWFJFHSA-N 404.555 1.391 30 10 HDEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(C)=O)c1 1315562145 CLNORFIRHCYSBP-IBGZPJMESA-N 423.521 1.656 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1CC1(O)CCOCC1 1316102010 QQFNYSITPVBQNA-UHFFFAOYSA-N 420.539 1.542 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)(C(=O)OC)C1(C)C 1320516876 UVWAMTLZIJDXLF-JLDZCNIISA-N 413.474 1.774 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2C(=O)COc3ccccc32)n1 1321407095 LINWDPHAYJAJMX-UHFFFAOYSA-N 411.462 1.100 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1nc(N(C)C)ncc1Br 1352020789 LGEUCLDADRBKLQ-UHFFFAOYSA-N 402.252 1.920 30 10 HDEE C=CCn1cc(C(=O)N(Cc2ccccc2)c2c(O)nc(=O)n(CCCC)c2N)nn1 1352123035 XUONNXRFCYPOSE-UHFFFAOYSA-N 423.477 1.956 30 10 HDEE C=CCN(C(=O)[C@H]1COC(=O)N1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1352963858 MXFYYQUPAHRGKX-CYBMUJFWSA-N 407.473 1.841 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358880380 KZSPKSVDVSFULE-CABCVRRESA-N 418.519 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1358889714 FTMITOXGKRPARZ-HMFCVHIJSA-N 421.567 1.649 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1358933857 GTCYUOXYLVSWET-AWEZNQCLSA-N 400.508 1.350 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1358952320 GOFWYCUNRAUVMD-FQEVSTJZSA-N 422.533 1.371 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(SC)CC2)CC1 1359028462 SXCKXKZRKAMZDM-UHFFFAOYSA-N 411.535 1.576 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C(=O)NCC)CC1 1359038517 YWRPCRBGVBDIAA-UHFFFAOYSA-N 422.577 1.981 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CCCS(C)(=O)=O 1359054957 ODAZVBYYRCAFDB-UHFFFAOYSA-N 407.565 1.886 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359062444 IHPKIDRVRCXCQH-JYJNAYRXSA-N 421.523 1.009 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359302713 RDOAPROCRUUBRA-BBRMVZONSA-N 404.540 1.940 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1359304810 KGYLZLAPHVPFHC-WMZOPIPTSA-N 402.543 1.570 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1439300123 XRZMZHJQKSXGQD-UPTPFMHGSA-N 403.504 1.631 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2=O)cc1Cl 1439745542 DWHJBJWMIADWST-WYQXTGKHSA-N 421.906 1.789 30 10 HDEE Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)n(CCC#N)n1 1442006690 DOKOTJCJSZOCGN-UHFFFAOYSA-N 403.464 1.848 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CCC(=O)N2CCC(O)CC2)cc(OC)c1OC 1442575633 BEIVMVZPKHQTRE-HNNXBMFYSA-N 405.451 1.157 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1447785451 QJBAFMHHZDLAMM-UHFFFAOYSA-N 416.526 1.896 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)s1 1450319542 YBPHVQKLQVROKJ-ZBFHGGJFSA-N 424.548 1.525 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3ccc(OC)cc3)c2)C1 1456811775 VVZGEWLDQHKUPW-UHFFFAOYSA-N 400.456 1.340 30 10 HDEE CC[C@H](C)n1ncc2c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc(C)nc21 1457197405 PMDJRDWQECPVNQ-LBPRGKRZSA-N 407.434 1.542 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 1460781835 RJAXZMMMZVMJSB-UHFFFAOYSA-N 422.235 1.929 30 10 HDEE CN(C(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1)c1ccccc1 1463001276 ZKVCBFNPLXRBID-AVRDEDQJSA-N 423.494 1.974 30 10 HDEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1463162980 JJXIPPDWKUKNKS-MGPUTAFESA-N 419.503 1.973 30 10 HDEE COC(=O)c1cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1OC 1463939766 UTVWUJDBMRLABL-UHFFFAOYSA-N 420.418 1.848 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464925592 OLDLABQDXZHZRG-XQTVBXIXSA-N 412.874 1.665 30 10 HDEE C=CC1(CC(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1466317690 NKJBRNRJQOOJRH-LSDHHAIUSA-N 424.494 1.753 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1 1467667684 NGJQEKAYKGILDI-KRQILSMLSA-N 422.551 1.842 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3n[nH]cc3C#N)ccc2Cl)C[C@@H](C)O1 1469284931 APGWIDZKNFOLMA-GHMZBOCLSA-N 423.882 1.985 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncn(C)n1 1469416066 YCHUWNCLRAMRFG-HNNXBMFYSA-N 418.523 1.017 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)nn1 1469887404 AYKJGQJNHJVFMH-UHFFFAOYSA-N 408.459 1.143 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1470286143 QYLBKVUHPFPILH-CQSZACIVSA-N 400.485 1.534 30 10 HDEE Cc1[nH]nc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1-c1cccnc1 1471779627 XHUXVZLHYCKRRW-UHFFFAOYSA-N 410.459 1.847 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)C2=O)cc1 1472554831 GYDTVTGVVFJRJE-QYZOEREBSA-N 413.474 1.476 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CC1 1474938499 BGQGTOFKDURLAM-UHFFFAOYSA-N 419.544 1.906 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)CC1 1476059883 TYVJJIDVLMXIML-UHFFFAOYSA-N 414.506 1.465 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)nc1 1479218201 NISAOLVAMZZYDK-YNBOMUFVSA-N 404.492 1.472 30 10 HDEE Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)n1 1492529590 BJPBJBSCGRDWPZ-CVEARBPZSA-N 402.524 1.865 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC(=O)N1C 1494236968 VUDHYVFTJFYSKX-QFBILLFUSA-N 424.505 1.679 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507630401 YGGCZKYBWPHLDP-GJZGRUSLSA-N 407.565 1.662 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1507690827 SNBFMXDFEQUPRN-HXUWFJFHSA-N 402.587 1.905 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCNC(=O)C(C)(C)C 1507713753 WDUZTLPYGDYTPO-UHFFFAOYSA-N 418.567 1.882 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCO[C@H]2CCOC2)CC1 1507724114 HJBUOQJVQQOIHK-FQEVSTJZSA-N 410.522 1.215 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2cnnn2C)CC1 1507730929 ZGZLMVFQKPXILV-UHFFFAOYSA-N 412.448 1.079 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2([S@](C)=O)CC2)CC1 1507734149 SIDLEGAMDRDMBT-HBIPHATFSA-N 405.568 1.669 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CC)CCC2)CC1 1507738032 IFQBELHYTWQVCG-KRWDZBQOSA-N 412.538 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccnc2)CC1 1507739402 PPJAKEJEPQHINE-LJQANCHMSA-N 408.506 1.386 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507848493 LFBLCGWKDZSZBP-OXQOHEQNSA-N 407.515 1.223 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)o1 1521095054 IDBAIFYYTFDCQC-YVEFUNNKSA-N 404.427 1.135 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1525496953 IDZLWWRWYWCJDF-IBGZPJMESA-N 407.536 1.735 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1539112466 RLVDZYVAORDCFW-NRFANRHFSA-N 419.533 1.948 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1539126222 ULBNDOBCLKOOSI-IKGGRYGDSA-N 409.556 1.649 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1539162675 WOFRASIRRBIPJS-UHFFFAOYSA-N 409.450 1.243 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCCC 1539176104 HZQIRSDEFIGZKR-UHFFFAOYSA-N 418.542 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(C)(C)O 1539307309 QLHLEDASJRGZJD-UHFFFAOYSA-N 404.478 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCOC1 1539337089 CZEUWJYCXJZDHN-JBYIUTFZSA-N 400.523 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(C)COCCO2)CC1 1539476316 VMGUERNIJXUOOI-JOCHJYFZSA-N 424.505 1.111 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539525128 UKZFYXVEKRNHJR-UHFFFAOYSA-N 401.515 1.853 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)[C@@H](C)CC 1539538154 DPBGKRCRMBGUQA-YIOZNXECSA-N 411.572 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1539557028 ZALVVKXJTCFLTJ-CBGDNZLLSA-N 401.511 1.807 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539824183 ONRFCPPYKVBUNZ-BPUTZDHNSA-N 424.933 1.795 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540866888 DKSYVDPYCUQCQS-GOSISDBHSA-N 419.489 1.320 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2occc2C)C1 1540882551 KJWTXXKSMYGKOC-GJZGRUSLSA-N 409.512 1.619 30 10 HDEE CCO[C@@H]1COCC[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120717 CYUOCXTXHMRRKE-IEBWSBKVSA-N 421.519 1.223 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCC1(OCCO)CCOCC1 1556316482 BHJUNSDJBBALSQ-UHFFFAOYSA-N 413.268 1.374 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](OC1CCCC1)C(F)(F)F)c1cc[nH]n1 1557412060 YMQQPQUNTAKOKG-ZDUSSCGKSA-N 420.388 1.700 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCN(c3ccc(F)cc3C(N)=O)CC2)C1=O 1560022787 FZGMPUYIASVBBJ-KRWDZBQOSA-N 413.478 1.785 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1560192495 HONOUMOJXSPTMH-UYXSQOIJSA-N 417.318 1.901 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1CCS(=O)(=O)c1ccc(C#N)cc1 1560222467 CSRWVWJXEGCWLB-LJQANCHMSA-N 400.456 1.637 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)NCC(=O)NCC(=O)NCc1ccccc1 1562441676 KRVPJJIWUQBFAG-UHFFFAOYSA-N 412.421 1.392 30 10 HDEE C#CCN(C(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)C1CCN(C)CC1 1564059404 GNTKWCZQOUJCSL-UHFFFAOYSA-N 417.598 1.450 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC2CCC(c3ccc(F)cc3)CC2)CC1 1564540122 REOJINKDNPNSMW-UHFFFAOYSA-N 422.526 1.647 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1583661265 BLMUIMIFKHODCX-WMZOPIPTSA-N 415.490 1.969 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2ccn(CCC#N)n2)C1=O 1586593350 RSVMUGRRINCTHD-CQSZACIVSA-N 404.471 1.499 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(Cl)cn1 1587932060 KHTFWLPSJKIDHA-UHFFFAOYSA-N 418.910 1.968 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCN1CCCO 1587932459 UTWBDVFLJMQAMV-SFHVURJKSA-N 413.522 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)nc2)CC1 1588923748 LASMRBABQVCPKG-UHFFFAOYSA-N 416.489 1.453 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593629921 CKAHKJNXRPNBBS-KRWDZBQOSA-N 404.515 1.322 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1594980319 DQXOLQKYVCVSMA-UHFFFAOYSA-N 419.489 1.150 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595544970 OTEBARPLTAVOEV-IKGGRYGDSA-N 405.499 1.206 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 1595548430 UZIDMQUMGUCYNT-MRXNPFEDSA-N 415.556 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@]2(CCOC2)C1 1595784904 MYIREOYEQTUGQZ-IBGZPJMESA-N 403.508 1.558 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CCOC)NC(=O)OC(C)(C)C)c1 1596681593 UIKDDMFBJSQVRZ-KRWDZBQOSA-N 403.479 1.995 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1611614741 FBSCRGSHQZSPTQ-IKGGRYGDSA-N 401.515 1.080 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nnn(C)n2)c1 1611923669 HXPFWQADRHIRBC-LJQANCHMSA-N 411.445 1.488 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)cc1 1619322025 FGZIZZKVLQVQRV-FQEVSTJZSA-N 424.505 1.856 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OC)c1 1620111439 VAKAEQJTHXPHBR-WDSOQIARSA-N 413.478 1.788 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([S@@](C)(=O)=NC)c2)cc1 1624091429 SQHXFKJWAKTHHE-AREMUKBSSA-N 405.501 1.937 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 1625257414 YBIKJDNKMSKOSN-UHFFFAOYSA-N 419.390 1.935 30 10 HDEE C[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)Oc1cccc(Br)c1 1630328310 HJNPLSOWZUCHJL-LLVKDONJSA-N 421.251 1.557 30 10 HDEE C=CC[C@H](NC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OCC 1632656312 OXIUZVAVPUZRBK-XUWVNRHRSA-N 410.536 1.907 30 10 HDEE CC1(N2CCCC2)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1634969512 WCCOQDLCJGUJBK-UHFFFAOYSA-N 418.563 1.982 30 10 HDEE C=CC[C@]1(C(=O)NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3O2)CCCN1C(=O)OC(C)(C)C 1636390671 OUOHYDMMWZYYQU-YJKPJRLFSA-N 417.462 1.302 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1637902000 IXOGRNRRHAWSJI-YWZLYKJASA-N 404.467 1.403 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1Cl 1639049561 HWDMKUGDORHTAG-UHFFFAOYSA-N 415.833 1.974 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)cn1C 1639610219 BGIUBGHLFYLFOV-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1639618481 YQKHTPLKIQKQPP-SZGQWAQFSA-N 406.483 1.711 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)Cc4ccc(C(N)=O)nc4)CC3)n[nH]2)cc1 1639990075 SYKBXEWSNFQIPS-UHFFFAOYSA-N 415.457 1.334 30 10 HDEE CN1CCC(N(CCO)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1640280240 RQXGTORFGSWIMN-PSCUFVCCSA-N 420.554 1.688 30 10 HDEE C#C[C@@H](CO)NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1641574828 RZTHVIQHIOJRBR-HNNXBMFYSA-N 408.296 1.671 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1643240728 AAEZBYLATQMJNA-JKSUJKDBSA-N 409.527 1.726 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1643855682 ZCNVJIVQKKCUIJ-OAHLLOKOSA-N 422.503 1.729 30 10 HDEE COc1nc(N2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)ncc1Br 1644741577 RDPFDTMMLHOEPG-ZDUSSCGKSA-N 410.316 1.815 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(F)c(Br)cc3N)C[C@H]1CS(=O)(=O)C2 1646439412 FBJZLWSQADSNNA-RTHLEPHNSA-N 402.245 1.181 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](N2CCCC2)C[C@H]1C(C)C)c1cc[nH]n1 1647875895 FEPMDUFCYAAYRP-RDJZCZTQSA-N 405.499 1.415 30 10 HDEE COc1ccc(CN(CCCO)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1653430796 HCPKGOCRWPDJSP-UHFFFAOYSA-N 416.499 1.893 30 10 HDEE CO[C@@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)Cc3cccnc3N2C1 1654503613 ODLSWUGLPFZBBD-RBUKOAKNSA-N 412.515 1.836 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)c2ccc(C)cc2)CC1 1663420549 FARBFUZBWKPTKJ-UHFFFAOYSA-N 408.524 1.296 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 1663438757 GAZYRNOZSUTYGD-GFCCVEGCSA-N 409.265 1.953 30 10 HDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1666930868 VHWOBDMMSCVWMN-UHFFFAOYSA-N 412.512 1.793 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2C(=O)NCC23CCOCC3)cc1 1667791144 WRUUGHSQGUPLDJ-SFHVURJKSA-N 412.490 1.918 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1)[C@H]1CCS(=O)(=O)C1 1675129572 YWPUADADSYZIBX-INIZCTEOSA-N 405.476 1.012 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2cnccc2C#N)CC1)[C@@H]1COCC12OCCO2 1683252471 BFVRKROQNRLWFO-SFHVURJKSA-N 415.494 1.201 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCOCCCNC(=O)OC(C)(C)C 1684549981 AYTHUTDIJAYTQQ-UHFFFAOYSA-N 413.515 1.904 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@@](=O)CC 1689835170 HMQDDXKPRRPLHO-PTFIGZPYSA-N 408.549 1.575 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCc2ccccc2C1 1689861371 UMVVJZIHFZZFGD-SFHVURJKSA-N 406.534 1.917 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1690169470 DAKADTSMQSHNMR-UHFFFAOYSA-N 401.496 1.124 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1690292671 LCOFGYAEHNGQFY-UHFFFAOYSA-N 402.543 1.525 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1690306842 HELOMARUDOPTSD-UHFFFAOYSA-N 414.510 1.664 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F)C1CC1 1690545803 YZNQIEWSZRAZEA-NSHDSACASA-N 421.445 1.014 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CC 1690719008 FBYUFVVWMXLNGW-UHFFFAOYSA-N 416.511 1.368 30 10 HDEE CC(=O)NCCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690974327 PMDVHYMGGSLLGG-UHFFFAOYSA-N 420.477 1.345 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1696084539 BUSLUWBSTHQNMA-UZLBHIALSA-N 405.499 1.476 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1CCOCC1 1696826366 BQAJEUXOXFXJKS-UHFFFAOYSA-N 418.523 1.229 30 10 HDEE CON(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1698264469 YXENSXUIVDNQFX-PEZBUJJGSA-N 403.830 1.518 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1705563376 WGGUHOHSLRHVAS-RCCFBDPRSA-N 413.478 1.974 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCC=C)CC1 1705638328 GXUMJJNYGSJTRJ-UHFFFAOYSA-N 412.494 1.354 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCCC2)CC1 1705649178 NGHOWAGDTINPCY-UHFFFAOYSA-N 407.522 1.402 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728317 GEXQFWJAIPWBAF-XLIONFOSSA-N 407.515 1.236 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705825045 HRMVAVBHJGHYII-RCCFBDPRSA-N 403.527 1.826 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)on2)CC1 1705909332 UCTBFKBZOKHOGN-QGZVFWFLSA-N 415.498 1.050 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1705917638 XCHKBURUJIUKIW-KNQAVFIVSA-N 413.522 1.802 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1706602996 GLGKXSKQMYSOJS-IBGZPJMESA-N 400.462 1.368 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCNS(C)(=O)=O)cs1 1707745275 SKGLKSZHHHSNHS-GFCCVEGCSA-N 411.557 1.169 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)n1 1707833363 UIQWKSFJFRKQNL-KRWDZBQOSA-N 414.514 1.031 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1710447858 JJESYOIYFDXRIS-RXVVDRJESA-N 419.526 1.866 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722363272 ZTRNIOGHTGQNQP-DNVCBOLYSA-N 403.508 1.469 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722459874 SRODJZAXEXESPE-MSOLQXFVSA-N 417.579 1.891 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1722460348 XJEQNRKOJREENF-INIZCTEOSA-N 418.567 1.533 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1722469206 WKZMLFDLHZQDRB-KKXYHZGYSA-N 418.538 1.851 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(C(N)=O)C1 1722491858 OLMBCHCPOBEIMN-GRXQJBFDSA-N 421.542 1.685 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1722630437 FIZIECVKKHAZPS-LNLFQRSKSA-N 419.526 1.406 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(C)=O)C1 1722715529 TYRDFMNSFQNNFU-OAHLLOKOSA-N 416.482 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCOC1 1722729580 PNQRGGQHLFKVAM-KRWDZBQOSA-N 420.535 1.703 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCCO1 1722862922 FUXRXCLHYGGLIY-BZUAXINKSA-N 412.560 1.833 30 10 HDEE CC1=CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1724894614 MGAWANGKRVRKML-FBMGVBCBSA-N 413.482 1.099 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1726753769 GIEZKFKJFGVTMS-HNNXBMFYSA-N 424.534 1.933 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1740664268 KKGTXGCAHJKEIG-FOIQADDNSA-N 418.519 1.348 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](C(C)C)N1CCOCC1 1740683063 SENZXBUOIBRBIB-FQEVSTJZSA-N 414.554 1.726 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(C)CC2)CC1 1740700815 JFOIEMKXXNVXJX-UHFFFAOYSA-N 400.527 1.572 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1CCOC1=O 1740725306 JWCBYCSRAIHAJP-OXQOHEQNSA-N 405.499 1.837 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740811100 LWEDQYHXZKKMCQ-CQSZACIVSA-N 417.963 1.833 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12)C1CC1 1740907280 WAECTSPDNSMEDZ-CQSZACIVSA-N 415.523 1.739 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740959334 SEBXCUHFPGNAPG-SFHVURJKSA-N 401.559 1.062 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2CCCO2)CC1 1740959876 GJNILLQGUJBAQL-ZWKOTPCHSA-N 403.527 1.870 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741436289 JBFQMFRLPJDWGA-JVMRMLDLSA-N 416.526 1.866 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1741517391 BOZHZDLIPAKASO-BEFAXECRSA-N 406.556 1.863 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)CC1 1741988511 RXKXREKYWVPUIQ-SJORKVTESA-N 416.526 1.945 30 10 HDEE CCCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1745537514 PJUIBFVRTWQPHU-INIZCTEOSA-N 413.482 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1748664401 GGDFRCAAIPAVFE-INIZCTEOSA-N 423.521 1.228 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1748670885 DGHRIEYDPGFRGX-BBWFWOEESA-N 423.583 1.895 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCN1CCCC(C)(C)C1 1748948028 FCCHTIURFRJYFK-UHFFFAOYSA-N 404.559 1.624 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@H](CO)O1 1749148821 HNVGAEDIRNDJRA-RBUKOAKNSA-N 424.509 1.863 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(CS(C)(=O)=O)CC2)CC1 1749291960 LZUYHUDOLKGGKT-INIZCTEOSA-N 412.556 1.983 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1749666983 RROSVOURWGBQDC-ZNMIVQPWSA-N 406.556 1.642 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749671026 XZQWEMHPMNFRLB-QZTJIDSGSA-N 402.543 1.396 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCC2)CCO1 1750389191 XCDHMRAHMOWTIS-KRWDZBQOSA-N 402.499 1.479 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760095558 RUXAZNOTNOYWPM-GOEBONIOSA-N 414.485 1.358 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760125534 QVYKCDMDZJGBAL-ROYATCLZSA-N 424.567 1.204 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760150555 IMNBSCYFDVHREP-INIZCTEOSA-N 417.535 1.885 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1760202778 MWHJIDVHQLZRSE-GOSISDBHSA-N 404.474 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnc1C 1760207187 ALCCGLPDGKFHRI-UHFFFAOYSA-N 421.530 1.938 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1760225161 JPENYOYYBGRJAZ-OAHLLOKOSA-N 405.524 1.713 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCC)c1 1760248264 GTIPIKULRFQAOY-SFHVURJKSA-N 424.505 1.113 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760374606 TUDGYJDZOFYOAW-PEUVFPKISA-N 400.932 1.530 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1760504968 HHBSQDRWDOERKW-IRXDYDNUSA-N 411.572 1.161 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CC(N)=O)C1 1760525537 JBJRXBPNKJOKNG-CQSZACIVSA-N 417.539 1.028 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2ccc(O)cc2C1 1760558133 HEDYGRIWMJFDAM-UHFFFAOYSA-N 406.508 1.684 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1760689894 GWJXHLIDIRPWCP-MRXNPFEDSA-N 407.478 1.662 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760954855 BBOCFIUEQGAARR-ZJYNUGOYSA-N 422.493 1.744 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1764487315 BSTSUWVQGRIMCA-XLIONFOSSA-N 410.522 1.957 30 10 HDEE COCCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769721359 FDDICQMPADTGLS-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1769737578 IAOHGELOYCFICZ-MRXNPFEDSA-N 415.519 1.867 30 10 HDEE COCc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1ccc(C)c(Cl)c1 1850691277 LKGLPRTXPXTTPW-UHFFFAOYSA-N 417.897 1.441 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)CS(=O)(=O)c3ccc(Cl)cc3)CO2)nc1 1852706572 RJHWKLKQZORFAC-CQSZACIVSA-N 407.835 1.744 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c(F)c1 1853223270 PKXLSEYPNBGVHZ-UHFFFAOYSA-N 421.494 1.844 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1853385582 PKHKOIOLUQNCRF-INIZCTEOSA-N 411.911 1.930 30 10 HDEE CC(=O)N1CCN(CC(=O)N2C(=O)CCN([C@H](C)CCC#N)c3ccccc32)CC1 1853634096 PJSAHCJEAJLCRH-QGZVFWFLSA-N 411.506 1.613 30 10 HDEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)ccn1 1853656411 DIQCXVABXRDAMD-GOSISDBHSA-N 413.455 1.994 30 10 HDEE COC1CCN(C2CN(C[C@H]3CCC(=O)N(C(=O)c4cccc(C#N)c4)C3)C2)CC1 1853857369 GHIALBZHYLRQFA-GOSISDBHSA-N 410.518 1.732 30 10 HDEE C=CCN([C@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854167085 CMWITUGNYDVZAZ-SJORKVTESA-N 405.882 1.565 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1OC(F)(F)F 1854593759 GNUOYIGHZHBALW-UHFFFAOYSA-N 419.381 1.637 30 10 HDEE C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854617184 MMRRHHCVLFFKIC-AWEZNQCLSA-N 401.444 1.131 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cccc4c3OCCO4)C(=O)C2)C1 1854949982 MTGFVAPXTBKXCL-IAGOWNOFSA-N 412.490 1.509 30 10 HDEE C=CCN1CCN(C(=O)c2cc(-c3cc(OC)c(OC)c(OC)c3)on2)C(=O)C1 1855319494 BHOVFTVDHLXPME-UHFFFAOYSA-N 401.419 1.838 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCCC[C@@H](N4CCC(C#N)CC4)C3=O)c2n1 1855606813 ZWGHIKATGSGLFN-GOSISDBHSA-N 407.474 1.760 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(CCn3ccnn3)c3ccccc32)CC1=O 1855819541 SQNNSPWPQCCEBR-MRXNPFEDSA-N 408.462 1.083 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856101565 WSRSQEGXFVDXPA-CABCVRRESA-N 419.503 1.103 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C2)CC1 1856149480 KIKZCWXDHXYHFZ-RBUKOAKNSA-N 412.490 1.864 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCN([C@H](C)CCC#N)[C@@H](C)C2=O)c1C 1856283363 ULNRFIYVYXTGJN-ZBFHGGJFSA-N 410.478 1.950 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856900036 ZUMDUEJUXFCCPK-IAGOWNOFSA-N 407.492 1.669 30 10 HDEE C[C@H]1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1856989522 UGJWRCZUILJIIP-GUYCJALGSA-N 423.922 1.656 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H](C)n1cncn1 1857484270 JXCWLMONYOMPQB-AWEZNQCLSA-N 417.491 1.542 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc2ccccc12 1865722547 USHZAQMDDVIFQJ-MRXNPFEDSA-N 418.453 1.234 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CC(O)C2)nn1C(C)(C)C 1869999267 HUXXNYNYYIXVGB-UHFFFAOYSA-N 401.467 1.796 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2CC(=O)N2CCCC2)sc2c1CCC2 1872636903 KMBBUMQDAHBKKN-UHFFFAOYSA-N 401.448 1.674 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)CC1=O 1872918133 UATIZWWOWZBNRY-QGZVFWFLSA-N 418.582 1.685 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)CC1=O 1874274585 TUCZUPKACLBRAP-FCQRQVBFSA-N 416.507 1.558 30 10 HDEE Cc1nc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c2ccccn12 1889337981 NLBQGXXXMQHDCP-UHFFFAOYSA-N 409.534 1.515 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1925839956 OQPWHXSWLBZCBB-CXAGYDPISA-N 403.501 1.556 30 10 HDEE C#CCN1CC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1994294041 KCCDRZPHWBVWGE-HXUWFJFHSA-N 414.550 1.837 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)COC1 2025894929 FMMCOQFBMLGTTK-UHFFFAOYSA-N 419.287 1.613 30 10 HDEE N#Cc1cccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074667749 VBKBREGNRWWJIY-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE CN(C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1)C(=O)OC(C)(C)C 2174781939 KRPOGYFXDQBAGG-HNNXBMFYSA-N 402.517 1.034 30 10 HDEE C#CCN(C(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180093913 ZLXUVKHUZQFSBT-CHWSQXEVSA-N 406.451 1.280 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195328626 SSPXXZKJSRAJJR-STQMWFEESA-N 404.529 1.832 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212231251 HQIBIHBRAUFZKY-CQSZACIVSA-N 413.334 1.576 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)C2=CCS(=O)(=O)CC2)S(=O)(=O)C(C)(C)C1 2232543848 WXSHKMLBBMRIBP-ZDUSSCGKSA-N 421.537 1.113 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 2245015969 GLMMOVLLWQOMIW-UHFFFAOYSA-N 411.318 1.547 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827096 FNKVFDUIKFJXON-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@H]12 2247865541 WTCVVQSCODTTCT-KBPBESRZSA-N 417.315 1.909 30 10 HDEE Cn1ncc(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2255829472 PMUGIEVMWROWNU-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE N#Cc1cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 2270522354 OBOKPNBBFIEXFF-INIZCTEOSA-N 421.406 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C(F)(F)C1 2279114281 BXZCEGHKMTVCQW-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE CNC(=O)[C@H](C)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282310987 BMTNXINCGNSAOA-NSHDSACASA-N 402.347 1.111 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](F)[C@H]3CCOC3)s2)OC1(C)C 2282328911 FGSPNMBAFGBWRL-RYUDHWBXSA-N 405.322 1.700 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCC(CN)CC3)s2)OC1(C)C 2282340452 GGBFHAVEGGFOCE-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE CO[C@H]1C[C@@H](CF)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282355149 ZQACXPBKTFEOSW-RYUDHWBXSA-N 405.322 1.795 30 10 HDEE COCC(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)COC 2282419036 MDRCBVPOJZRAGP-UHFFFAOYSA-N 405.347 1.235 30 10 HDEE CCN(C[C@H](C)N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282489868 IADYQAHOUQCDLO-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](N)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282491983 MZXZYOMDWTYZTI-ZWNOBZJWSA-N 400.375 1.774 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2nccs2)OC1(C)C 2282500960 QEJROCONXKDFAP-UHFFFAOYSA-N 415.371 1.561 30 10 HDEE CN(C1CC(CO)C1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501867 CQIFGKHVWGYKFH-UHFFFAOYSA-N 401.359 1.580 30 10 HDEE CN1CC[C@H]1CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282510763 DLQMADLKRKEHHV-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE C[C@@H](O)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2282612944 IFPBDAVBNZHZNW-PWSUYJOCSA-N 401.721 1.923 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282688740 YPENMSZOAHUIGL-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3C[C@@H]4O)cc2Cl)OC1(C)C 2282825759 MMBSKTSJSAXYGU-SCVCMEIPSA-N 419.761 1.845 30 10 HDEE CN(C1(CO)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828546 QDHPGKCNNULDGX-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC1(C)COC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282844350 CANRWOIOYNEFSA-LBPRGKRZSA-N 402.347 1.287 30 10 HDEE C[C@H]1CC[C@H](CO)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850142 LLTRCPWWJCNDKP-STQMWFEESA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@](C)(N)C2)c1B1OC(C)(C)C(C)(C)O1 2282866328 HJECRLSUAUSJME-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE C=C(CS(=O)(=O)N1[C@@H](C(=O)O)CS[C@H]1C1CC1)B1OC(C)(C)C(C)(C)O1 2284416064 TWQGFLSLABEVRO-OLZOCXBDSA-N 403.331 1.742 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#Cc2nccs2)S(=O)(=O)C(C)(C)C1 2338221926 SAJWHVXRQNLLIU-QWHCGFSZSA-N 400.522 1.668 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365203825 KWYCRHLXVZCCHS-HZPDHXFCSA-N 402.557 1.708 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCCNC(=O)OC(C)(C)C 2365213170 VQHCUNQUHCPDIL-DNVCBOLYSA-N 404.573 1.847 30 10 HDEE CC[C@@H]1CC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OC(C)(C)C 2367823483 PTANUWDQRSVYEJ-SPYBWZPUSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831732 UDCZNXZGUGHEMD-YJBOKZPZSA-N 402.557 1.730 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367832222 YLAFMJPEKJPMKD-IQUTYRLHSA-N 400.541 1.196 30 10 HDEE CO[C@H](C#C[C@H](N)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369627508 AFJJWDSABMQCFD-GVDBMIGSSA-N 402.557 1.850 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2ccc(O)c(O)c2O)c1 254404742 RWYUEZZUMCZNTB-UHFFFAOYSA-N 410.477 1.374 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2cc(B3OC(C)(C)C(C)(C)O3)cc(C#N)n2)C1 382011052 UOYASZHTIDBLMP-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)c1ccn(C)n1 410404499 OJCDAPKCWZVDNX-CYBMUJFWSA-N 402.354 1.503 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)cc1C#N 427117089 JHHJYSBNIPIJGV-UHFFFAOYSA-N 410.452 1.742 30 10 HDEE CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)n1 427250890 AETXQAMMGUIHQE-CYBMUJFWSA-N 423.470 1.684 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OC 435941869 LLTJXRSXUQZOGB-KGLIPLIRSA-N 416.521 1.152 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460949010 KRFRNEFJEMZVSX-ZIAGYGMSSA-N 402.524 1.936 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1)C1CC1 461313986 ZCUFPUZKXOPMTL-MRXNPFEDSA-N 423.564 1.876 30 10 HDEE COCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CC1=O 461625344 KADVGZSAKRBBSM-GOSISDBHSA-N 424.505 1.538 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)nc1 474341212 IABOGCUGXQCLES-UHFFFAOYSA-N 422.485 1.769 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 477203443 GWUIBFQFMXNFPO-NRFANRHFSA-N 412.490 1.912 30 10 HDEE C[C@@H]1OCC[C@H]1N(CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 483308579 NXBCBIZCOFSXLF-PWIZWCRZSA-N 404.486 1.006 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 488649844 XUGABAIQZNVEAV-OAHLLOKOSA-N 407.492 1.601 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C 497561584 JIOZLWVOOXGUFH-UHFFFAOYSA-N 408.508 1.469 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccc(F)cc2)c1=O 505699517 JALBUZBAFMNCNM-UHFFFAOYSA-N 410.474 1.808 30 10 HDEE CCCS(=O)(=O)N1CCC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505779593 YJGSMYOMRYKWIL-SFHVURJKSA-N 401.529 1.568 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc3ccccc3c2)CC1 512598405 ULHICDGSIPKNIU-UHFFFAOYSA-N 408.502 1.406 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 525320665 IUHFZBACOJJCFB-KRWDZBQOSA-N 419.913 1.075 30 10 HDEE Cc1cc(CN2CCN(CC#CCN3CCN(Cc4cc(C)on4)CC3)CC2)no1 530366787 FFLNSKDQROBBEY-UHFFFAOYSA-N 412.538 1.218 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccc(F)cc1 532165215 DQCRHGBCYBWYAL-UHFFFAOYSA-N 415.471 1.357 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CC(=O)N(Cc3ccccc3)C2)CC1 533903534 RIMGTNJGFUOVTC-IBGZPJMESA-N 418.501 1.834 30 10 HDEE N#CCc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 535520451 REFSRQFEPHDDFP-UHFFFAOYSA-N 401.444 1.731 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1C 537878997 PGKOYWSCQKODMR-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE COc1cccc(N2CC[C@@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 540971642 XREHIFAERQRSKZ-HNNXBMFYSA-N 411.510 1.973 30 10 HDEE CC#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)O 542859444 PGZVJZMCNVLQQR-LBPRGKRZSA-N 420.281 1.619 30 10 HDEE CN(C)CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 551203549 ZMDXISGFCMXWHB-AWEZNQCLSA-N 419.956 1.341 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)c1 565554086 SEJFDYCESUCJSK-OAHLLOKOSA-N 401.492 1.543 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)cc1C#N 579306709 DPKKHJKOCQEFAD-MRXNPFEDSA-N 417.443 1.397 30 10 HDEE C#CCN(C(=O)C[C@@](O)(c1nc(C)cs1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 729335825 VEVUJFRBTGDNQR-BXUZGUMPSA-N 410.439 1.240 30 10 HDEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141684 KOODTZDYRRTHDB-MRXNPFEDSA-N 410.515 1.862 30 10 HDEE CC(C)(C)/C=C\C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 732405529 UPTTYGRJYIVTQV-HJWRWDBZSA-N 419.503 1.537 30 10 HDEE C=CCn1c(=C(C#N)C(=O)Nc2ccccn2)sc(=Cc2cnn(CCC)c2)c1=O 735068415 AGVZCZJWPSMLSW-UHFFFAOYSA-N 420.498 1.239 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758084733 UJXXZUZYWDWVCK-UHFFFAOYSA-N 413.568 1.931 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(CC#N)cc1 758578325 IGGQZNXBFOFILK-UHFFFAOYSA-N 400.479 1.904 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)n1nnc(-c2ccccc2)n1 760400885 DYMJRTJZPFMATI-CQSZACIVSA-N 402.480 1.821 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 760436813 TUNCKJKKXFBGRA-UHFFFAOYSA-N 416.503 1.585 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2cnn(CC)c2)cc1 763659567 IHDIFYRUXLNSHT-SFHVURJKSA-N 418.544 1.745 30 10 HDEE C#CCN(C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 774037073 QJGQMBGEZIPNHB-CQSZACIVSA-N 408.480 1.922 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)c(NS(=O)(=O)C(F)F)c1 779936976 IVQGGONTRJAMJL-UHFFFAOYSA-N 423.463 1.974 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780855463 KXGBBJSVAGSPKJ-QFIPXVFZSA-N 406.486 1.937 30 10 HDEE Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)CC2)n1 783354640 FNLHRQCZSKITEI-MRXNPFEDSA-N 408.462 1.672 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791416159 IBOXAURULIMSTO-LLVKDONJSA-N 405.407 1.206 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)[C@@H]2CCCOC2)CCCN1C(=O)OC(C)(C)C 791870454 JYXQVKRIVURYMK-KDOFPFPSSA-N 402.513 1.957 30 10 HDEE CN(C(=O)[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)c1ccccc1 797454181 IEVJRWYEHAHULC-IJYGLTAASA-N 411.462 1.207 30 10 HDEE N#Cc1ccc(NCCNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)nc1 800997336 KIKNCKJRFHDVDU-QGZVFWFLSA-N 408.462 1.344 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)cn1 801283783 RTAIKZPXCPNXTF-INIZCTEOSA-N 424.417 1.408 30 10 HDEE CC(C)c1nnc(S)n1N=Cc1ccc(S(N)(=O)=O)c(Br)c1 807951219 MLRHXBNYWRJTMF-UHFFFAOYSA-N 404.315 1.982 30 10 HDEE C#CCCS(=O)(=O)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 810784101 RSLZSRODHBOUJQ-UHFFFAOYSA-N 423.292 1.990 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 812100318 DAQJEDGNJCCATA-UHFFFAOYSA-N 422.493 1.867 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1ccc(F)cc1 812527368 OENGEDDFGGMOFT-MRXNPFEDSA-N 408.476 1.919 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 812753305 FPXIOUNWRPEQGM-KRWDZBQOSA-N 418.446 1.756 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 820174923 OQLSTXSMUKRSQA-MRXNPFEDSA-N 424.523 1.037 30 10 HDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(F)c1 1084116685 LPRVESPXPZCYLQ-UHFFFAOYSA-N 417.426 1.719 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2cc(F)c(C#N)c(F)c2)c1 1136884440 IFTCOXSJYYFYBV-UHFFFAOYSA-N 409.414 1.691 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccncc1 1138693952 VLNWMEBAEPECIA-LJQANCHMSA-N 419.434 1.726 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1141949755 SAFOFAWFTQHKMK-AZUAARDMSA-N 423.444 1.066 30 10 HDEE C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1144582720 LWKWQJQKDRZTEA-KRWDZBQOSA-N 423.535 1.539 30 10 HDEE CON(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H](C)C(=O)OC(C)(C)C 1152143024 WNOCZGXHNZSULW-CYBMUJFWSA-N 411.480 1.612 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1156278417 WNKUFTRSNWUZHB-SANMLTNESA-N 407.473 1.529 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1159765327 YKFDIBWONHHXJX-LLVKDONJSA-N 403.298 1.204 30 10 HDEE Cc1ccc(C(=O)N2CCC(Nc3ccccn3)CC2)cc1S(=O)(=O)NCC#N 1178094776 MCJUQMISGSPSNN-UHFFFAOYSA-N 413.503 1.909 30 10 HDEE C#CCOCCN(C)S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1196164376 RNLDWBUNCCQRBK-OAQYLSRUSA-N 409.327 1.732 30 10 HDEE C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198326450 FYJASEAHZIHOFN-PTSWNOGYSA-N 400.504 1.085 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)OC 1211664808 XONSAGODEOHGBB-ZDUSSCGKSA-N 403.254 1.343 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1230820811 DTIHUTLCXZAXDK-WBVHZDCISA-N 411.455 1.062 30 10 HDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1235584248 PHQXXRVMEHNHIW-UHFFFAOYSA-N 406.291 1.005 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c1 1265234024 HLBUFYDFJNTLGU-AWEZNQCLSA-N 403.464 1.128 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286338568 NCUCVQRYYZHNIP-GOSISDBHSA-N 424.505 1.512 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nncn1CC 1286403575 MHXADPOTVLIRSB-UHFFFAOYSA-N 405.462 1.695 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCOCC1 1286432691 UIFLDBFYYOTRFQ-IBGZPJMESA-N 423.565 1.571 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NC(C)C 1286453093 VJLHCUMVFUWBDQ-UHFFFAOYSA-N 414.485 1.720 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2=CCCCC2)CC1 1286490921 XGUYEEFWTDYQFA-GOSISDBHSA-N 410.522 1.695 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1286495840 GRRNENZNFKSGJA-AWEZNQCLSA-N 413.569 1.038 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)C(C)(C)C)CC1 1286637617 IPPVNIAKKKZODW-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286688287 PTCGDVFOZGTPTP-KXBFYZLASA-N 407.540 1.395 30 10 HDEE C=CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1286739226 UHLJDIRCEMSCTF-GOSISDBHSA-N 424.505 1.548 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)NC)CC1 1286782353 SBSSOCOYXAFGFC-UHFFFAOYSA-N 423.477 1.455 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(C)c1 1286785086 APXYBMZVOOGWGL-QGZVFWFLSA-N 412.494 1.355 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCCOC1 1286787699 YQZZZNJAJOPJTB-CQSZACIVSA-N 416.482 1.171 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NC)C1 1286804794 OIAHQDGMSXPLBS-IERDGZPVSA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286815855 ATIOXCRZASPCMI-ZFWWWQNUSA-N 413.544 1.537 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1287788365 JEFSGOFCJOANSH-OKZBNKHCSA-N 404.515 1.215 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccc(F)cc2)c1 1292977546 JOYWSAGHVPNOIX-UHFFFAOYSA-N 407.398 1.422 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1295444725 KZPDWMBOMFNPNC-UHFFFAOYSA-N 400.479 1.488 30 10 HDEE Cn1c(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nnc1-c1ccccc1 1296165721 BTHPLMGISKQQTL-HZPDHXFCSA-N 410.478 1.900 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccc(F)cc1 1300459881 XMVCVERKRBCNLZ-DOTOQJQBSA-N 406.483 1.776 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1 1300544895 CTGLTDOCWJCITQ-UHFFFAOYSA-N 412.515 1.550 30 10 HDEE C[C@@]1(c2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2)NC(=O)NC1=O 1300768443 MCPMSQSFTFGLFR-FQEVSTJZSA-N 409.471 1.637 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1300779872 HQHYCCURBNGYNY-SWLSCSKDSA-N 423.461 1.807 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1300786413 GFYFRIUXUABMTR-QUCCMNQESA-N 422.551 1.500 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@](C)(C(F)F)O1 1301081093 NXGKVQOTYSXICT-PXAZEXFGSA-N 401.435 1.763 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)C1 1301535448 LBTNUTRVJBGVCE-UZLBHIALSA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H]1c1nncn1C 1301569253 UKIADUBWKHJORY-CABCVRRESA-N 407.544 1.862 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1301955829 ACUQLXQXROVZCD-MIALQEHNSA-N 407.515 1.454 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1302439293 FQOQITLVQFBBQI-CYBMUJFWSA-N 405.480 1.308 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2csc(S(N)(=O)=O)c2)s1 1302685036 ZAMWLONLYMBPQK-UHFFFAOYSA-N 421.547 1.103 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1305202698 MJEOGURVJFRKOM-OYLHUBKDSA-N 402.524 1.699 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1 1309080153 VQQQOYFTNWTLMX-AWEZNQCLSA-N 401.893 1.525 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1312728435 KTTFKUGSTOXATM-CVEARBPZSA-N 415.462 1.714 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 1312790234 WRUUJVDCVHNJEZ-QGZVFWFLSA-N 406.552 1.569 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)NCC3(C#N)CCC3)C2)C(=O)C1 1312882898 DBQGIILADJKUAO-INIZCTEOSA-N 419.526 1.934 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccc(Cl)cc1F 1312945249 YBNUVHKIVOUNFM-OAHLLOKOSA-N 404.833 1.891 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1316135787 SDWMAILDECPVLK-IAGOWNOFSA-N 414.510 1.842 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@@H]2CCCO2)c1 1316529623 AYIUHNAHYCPNRX-IBGZPJMESA-N 424.505 1.729 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)C1 1320204981 LCTWQNKDPNMMKF-OAHLLOKOSA-N 420.535 1.830 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359081714 LRILNFHCPIHPIN-GXTWGEPZSA-N 420.315 1.644 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1359099248 LLQIGHOYLLYDEH-LMMKCTJWSA-N 419.526 1.058 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1359100069 WLOVYTCGQZHMOQ-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359132043 LLSMXQQHUITFHW-IAGOWNOFSA-N 419.526 1.596 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359157261 DOUSUPNAGJYBMJ-KDOFPFPSSA-N 410.906 1.239 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1359296312 FCQVZBMWJKZXRI-MRXNPFEDSA-N 407.478 1.211 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1359299001 RIAMZJKKDSYELP-UHFFFAOYSA-N 407.400 1.829 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)C2CCC2)C1 1359321486 HBCZZHVUYSWLHD-MSOLQXFVSA-N 403.527 1.870 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCC)C(=O)OCC 1441030591 JRGWGBLTAJNQJQ-LLVKDONJSA-N 406.863 1.633 30 10 HDEE COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1446862515 BBWXPUDGNAITBB-AXHNFQJDSA-N 407.492 1.463 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)C1 1448853953 ZFXKDWWZRMWCCN-INIZCTEOSA-N 404.492 1.552 30 10 HDEE C=C1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1453262618 ICSWPXQPVBWBGK-ZDUSSCGKSA-N 405.398 1.016 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(O)c2c(n1)CCOC2 1455077303 XRSDKXCBQNYWIC-CYBMUJFWSA-N 412.874 1.907 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1455702349 GVJMJYMZWZETOE-HJWYETAXSA-N 411.568 1.348 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1456492912 SQMTYZMAPIILHY-MRXNPFEDSA-N 405.476 1.323 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 1462273522 UDFNXPACEXWXQD-UHFFFAOYSA-N 404.426 1.974 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1468716287 PKLZRYBDJCQGSD-HXUWFJFHSA-N 400.523 1.565 30 10 HDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2C#N)CC1 1475682953 BELHQQYEKXFCHD-LJQANCHMSA-N 412.515 1.222 30 10 HDEE N#Cc1cccc(NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 1476792257 HYHPXDXRHKNTNJ-INIZCTEOSA-N 411.437 1.932 30 10 HDEE CCOCCOC1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1478404930 WNVIQBPRJVJYKN-RDJZCZTQSA-N 410.515 1.973 30 10 HDEE CCOC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1502549500 UFGGEGPDNKHJHS-ZDUSSCGKSA-N 402.455 1.550 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1503462278 PPIANZBGIZLIHM-IAGOWNOFSA-N 421.505 1.652 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1503640410 VMLILUMBYGZPCX-QGZVFWFLSA-N 418.523 1.323 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1507512247 CYGUZWUDABAZEB-KRWDZBQOSA-N 402.543 1.207 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)cc1 1507514814 FAZIKQCTOZOANY-JKSUJKDBSA-N 419.551 1.988 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NC1CCCCC1 1507601002 CCADBFJHEIQFID-NRFANRHFSA-N 403.527 1.837 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507634726 POBNFAQQXKFEBL-LJQANCHMSA-N 415.563 1.890 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507636803 DOJJSNWWPREVJZ-OWCLPIDISA-N 410.565 1.652 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C 1507713047 WXOJOORTYVRICT-IBGZPJMESA-N 410.522 1.738 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507830211 XCGOQGNQQMKDRV-PMPSAXMXSA-N 404.515 1.173 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnccc2OC)C1 1508109847 VPXDMWOGOZGXHP-KRWDZBQOSA-N 412.494 1.747 30 10 HDEE C=CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508167242 GUSPXVJPUYHDEV-HXUWFJFHSA-N 423.583 1.940 30 10 HDEE COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1518271259 GYGSUZJWGJYPJE-OAHLLOKOSA-N 407.434 1.529 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@H]1OC 1519500050 BCIMIHYBIWLCHJ-HDICACEKSA-N 413.478 1.494 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2csc(I)n2)CC1 1524010410 GQMJSDLCCPPUTB-UHFFFAOYSA-N 403.245 1.349 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ccnc(N4CCOCC4)n3)C2=O)cc1 1528683373 UGQYVCJUUPZUCD-GOSISDBHSA-N 406.446 1.110 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c1C 1538308324 AFSQCJYKPSJTEU-FTRWYGJKSA-N 401.488 1.053 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2C2CC2)c1 1539042244 DKDRVKLJDHFODY-OAHLLOKOSA-N 413.503 1.571 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539219270 HSRVGVXLBUMOCU-IBGZPJMESA-N 415.563 1.994 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539230786 KFGNBUOVPFQGDD-RCCFBDPRSA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1539265778 KKVGROPFZCOUMF-LJQANCHMSA-N 412.515 1.448 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c[nH]nc2c1 1539318641 URRRQGDLNNEANB-GOSISDBHSA-N 401.474 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCSCC1 1539338719 ZBWTYUMEFAOFRI-OALUTQOASA-N 417.579 1.514 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccnc2-n2cccn2)CC1 1539461762 KZGRZVIDQINFDU-UHFFFAOYSA-N 406.494 1.199 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1539517849 SSEUVGZZZUWKLX-QGZVFWFLSA-N 401.540 1.657 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539698587 ZRLILWUEQQXJJR-UHFFFAOYSA-N 424.553 1.882 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1540028170 KMYUOPRUTJXZOT-GOSISDBHSA-N 410.478 1.361 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540036368 MMGXTSQNCYHQKS-HKUYNNGSSA-N 400.527 1.941 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1540083685 CHYVPXSUQRKPDW-UHFFFAOYSA-N 404.515 1.890 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1541370272 CAUKFZYGGVMEBC-QGZVFWFLSA-N 418.523 1.400 30 10 HDEE COCC(=O)NC1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1542548357 GOJFJJLGWDPOKO-UHFFFAOYSA-N 410.268 1.453 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1543463729 VAAKVRDAMWYUEQ-XYJFISCASA-N 408.520 1.643 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)cc1 1543794047 KUFPPSARCMDOBS-MJGOQNOKSA-N 403.504 1.643 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)c1 1543905958 VGHOLFCYOSGJNN-UHFFFAOYSA-N 402.497 1.488 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC 1546579202 HGKNRRNFFNHNLA-OTWHNJEPSA-N 424.505 1.583 30 10 HDEE Cn1cc([C@H](CO)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1547439385 FPKGCBYTWWFFCL-HNNXBMFYSA-N 404.268 1.340 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)c(OC)c1 1559448590 HVXRMUXPKNFUPA-KRWDZBQOSA-N 412.446 1.108 30 10 HDEE Cc1cc(C)cc(-n2nnn([C@H]3C/C(=N/NC(N)=S)[C@@H]4OC[C@H]3O4)c2=S)c1 1565535049 FFLINNROFJNWBV-WTEISSSKSA-N 405.509 1.291 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)c2ccc(F)cc2)c1 1565767842 AFQMGHHVWRBKLG-UHFFFAOYSA-N 421.425 1.812 30 10 HDEE COC[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(N)=O 1566478950 XBNJCROEKCLYHV-HOTGVXAUSA-N 402.451 1.009 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 1584853912 USPYBCWFACMICF-IEBWSBKVSA-N 400.504 1.473 30 10 HDEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1586438760 DDDSSOJPZRPBHF-UHFFFAOYSA-N 411.524 1.096 30 10 HDEE CC(C)NC(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1587259515 XUJOUTYGRUVGKO-INIZCTEOSA-N 409.531 1.242 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588050568 SLERHJWPOFMOOY-RXVVDRJESA-N 414.531 1.690 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1 1588638589 UIOBDDJZCKXGLU-LJQANCHMSA-N 424.505 1.516 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnccc2OC)CC1 1588806459 RGCXMQQXAOLSQV-UHFFFAOYSA-N 403.490 1.856 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCN(CC)C2)CC1 1588857190 KHUAWNLAUFJVTB-GOSISDBHSA-N 413.595 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1588968915 RZXRODRDACYKHR-CECAUBDESA-N 415.538 1.647 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1589048071 TYWCMRWAPVSZEU-RZQQEMMASA-N 416.551 1.818 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)CC 1589259567 MYGHCKFCEMAPAA-TXPKVOOTSA-N 410.540 1.429 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1595517154 QUZDDJMAAJMPAE-SFHVURJKSA-N 412.538 1.713 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(C(C)=O)CC1 1595562054 MJKUIGDDPUYMQU-UHFFFAOYSA-N 402.524 1.291 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C)(C#N)CC1 1595562160 PGFAXJRIQLIXIC-UHFFFAOYSA-N 418.505 1.949 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595838478 UOWNMSKADLXYPN-KGLIPLIRSA-N 407.496 1.547 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2C=O)c1 1596612672 WWKJOLSIEDJITH-SPGGGKMGSA-N 406.508 1.839 30 10 HDEE CS(=O)(=O)CCc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1596670377 PUBJLKHBOCVRCS-UHFFFAOYSA-N 424.475 1.962 30 10 HDEE C#CCN1CCC(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1611389828 ODSUTPTXOOVXGF-UHFFFAOYSA-N 402.499 1.031 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCn4cc(C(F)(F)F)nc43)C[C@H]1CS(=O)(=O)C2 1616335435 BMYQKOUCRONHDL-FIXISWKDSA-N 402.398 1.176 30 10 HDEE CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1616496352 GAACTOMPVIHHLD-ZIAGYGMSSA-N 421.527 1.326 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1617225655 FGMBKACYSYANMD-ZDUSSCGKSA-N 416.297 1.240 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1618761834 HOMUROKIKJAZHC-UHFFFAOYSA-N 421.461 1.412 30 10 HDEE C=CCC1(O)CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 1620594226 KSGXOXLYDLDRJK-AWEZNQCLSA-N 404.463 1.990 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1 1621608853 HXPFMMXBRXLOTR-HDICACEKSA-N 418.563 1.563 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)c1 1623603400 ZJBHIXMFYZTWJL-OAHLLOKOSA-N 411.480 1.260 30 10 HDEE Nc1nc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)nc(N2CCOCC2)n1 1623830559 RITZQKFAEWYWFH-UHFFFAOYSA-N 400.442 1.943 30 10 HDEE N#Cc1nc(NC(=O)N2CCN(c3ncc(F)cn3)CC2)ccc1Br 1626723606 BTBAYIFXQZNBSW-UHFFFAOYSA-N 406.219 1.999 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)Cc2nc(C3CCOCC3)n[nH]2)cc(OC)c1OC 1627173821 IIFHIOOUHJJZGQ-CQSZACIVSA-N 415.450 1.648 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)C1=O 1628180219 RYBBKFCAWFYLAT-CYBMUJFWSA-N 413.352 1.222 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1628316261 QGOWTKCWWUTQOZ-UHFFFAOYSA-N 401.511 1.668 30 10 HDEE C[C@@H]1CCC[C@](C#N)(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1628602753 MWOSWVYEHKKFCX-KUHUBIRLSA-N 407.492 1.715 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C#N)cc2OC)cc1 1630291564 WBCZZXDPJMUSTD-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE COCCNC(=O)[C@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1631783542 GOPMNSQPCNLEIT-INIZCTEOSA-N 413.471 1.030 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)C2)nc1 1635421276 KXOHRTCZLUCTIN-MSOLQXFVSA-N 411.437 1.286 30 10 HDEE CC(C)O[C@@]1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1635491725 AKIJAQNYJWIVPW-LJQANCHMSA-N 409.508 1.206 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NOc2cccc(C#N)c2)cn1 1635506239 FLHLJFGELXPOQH-UHFFFAOYSA-N 403.445 1.878 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1635650569 JWFGCEXFNQIPES-CRAIPNDOSA-N 419.503 1.926 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1)C1CCN(C)CC1 1635679683 BWEYKMVWTQMSKE-UHFFFAOYSA-N 407.536 1.310 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1637759571 QHFKXEBNHKIDEP-IBGZPJMESA-N 406.552 1.789 30 10 HDEE CC(=O)c1cc(F)c(O)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1638880725 FXERYIIWVYKULH-SNVBAGLBSA-N 405.407 1.911 30 10 HDEE C=CC[S@@](=O)(=NC(=O)COc1nsnc1N1CCOCC1)c1ccccc1 1640208652 SCBRCKAAVDCYRY-MHZLTWQESA-N 408.505 1.993 30 10 HDEE C[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nnc(O)n1C 1640331496 SYXINECIGWDGIS-OMUIBUHPSA-N 404.471 1.485 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1C#N 1641124939 YAKJKCVEZDLBOK-OAHLLOKOSA-N 407.519 1.217 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1641397079 CJMYSSDWDJPHEJ-UHFFFAOYSA-N 414.447 1.998 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1c(C)nc(-c2ncccn2)nc1O)C(=O)OCC 1642682488 CEMAKSKOTOSKDB-CYBMUJFWSA-N 405.842 1.681 30 10 HDEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)CCc3c(C)nc(O)c(C#N)c3C)C2)n1 1645352911 FJGIVFAKJYTUQV-OAHLLOKOSA-N 410.478 1.798 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(NC(=O)c3cccs3)cc2)c(=O)nc1O 1646146615 BDWOKAPAWRTCOL-UHFFFAOYSA-N 409.427 1.564 30 10 HDEE CC(C)O[C@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1646169915 KSJHNRUTHJUBKM-UWJYYQICSA-N 414.462 1.464 30 10 HDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1654752378 FKILMMRIIOEPOQ-FZMZJTMJSA-N 417.281 1.662 30 10 HDEE CN1CCN(CCCS(=O)(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1654930889 DMNIECAPQJRHSB-UHFFFAOYSA-N 416.551 1.016 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)ccc2C(=O)OC)CC1 1657038468 JFBRLPCYQFIOIY-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCC2(N3CCOCC3)CC2)cc1Br 1661759932 AOJSPFAVDVEFKS-UHFFFAOYSA-N 418.288 1.603 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 1662708682 TZKLUGFXFAARAH-BFUOFWGJSA-N 405.476 1.174 30 10 HDEE C#CC[C@H](COC)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1668727323 BUGKXENIPBGKAR-GOSISDBHSA-N 417.506 1.706 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)nn1 1686848019 XMHVFSOJEIWKLL-UHFFFAOYSA-N 415.454 1.803 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F 1689826546 PYUNJUSEIPTCRV-CQSZACIVSA-N 409.425 1.996 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 1689929659 BIRWMFXAFRYLQC-QGZVFWFLSA-N 416.551 1.711 30 10 HDEE C#CCCCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1689941371 NSEMBGLMKACRNJ-NRFANRHFSA-N 419.526 1.075 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1689948911 KFJYWIUKKWJKBR-WIYYLYMNSA-N 405.543 1.356 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689993504 FQBBICQNNPWWKN-VQIMIIECSA-N 422.576 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H]1COCCO1 1690034833 TVAWEJPGXOYDLB-GHTZIAJQSA-N 402.495 1.199 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1COCCO1 1690034834 TVAWEJPGXOYDLB-NQIIRXRSSA-N 402.495 1.199 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690157338 DMHZHGNZAOUEDG-YESZJQIVSA-N 421.567 1.426 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690273344 RDNVGDBEVQENSX-LJQANCHMSA-N 409.556 1.788 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690343944 HVFITEYXPPXFDP-LSDHHAIUSA-N 422.917 1.691 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCO2)n1CCNS(C)(=O)=O 1690567578 IEDQPNLOZYXISC-QGZVFWFLSA-N 405.524 1.871 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690655348 PYIVAZWFXPOQSZ-KSZLIROESA-N 402.499 1.598 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690663438 WQEZNLRWLRVHTP-JKSUJKDBSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(CCC)C(=O)C1 1690668647 DAAYHQSTPSVCSD-UHFFFAOYSA-N 411.510 1.399 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cnccn2)CC1 1690740210 MSIMBLBRZKSARY-UHFFFAOYSA-N 409.523 1.771 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cs1 1693352952 ODEPMFHQDVGOKB-KUHUBIRLSA-N 419.530 1.797 30 10 HDEE CCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696436188 QSDWVKXWCWIUHG-QGZVFWFLSA-N 401.540 1.847 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccncc2Cl)CCO1 1698491349 YQEYFPWHIYXINV-CQSZACIVSA-N 424.852 1.751 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OCCOC)C1 1705531036 WHFYMOMDFJADSV-IBGZPJMESA-N 422.493 1.576 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1705550740 VMSGQBJBKHWVFG-UHFFFAOYSA-N 417.539 1.080 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC=C 1705583580 CHVLNBDQQCQKDQ-UHFFFAOYSA-N 400.479 1.682 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(C)s1 1705622588 MUMSUWMCDZCMGR-GOSISDBHSA-N 406.512 1.224 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccsc2)CC1 1705641297 ZFWUKJZTEVGNKV-JOCHJYFZSA-N 422.558 1.988 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)CCS(C)(=O)=O 1705703328 MHUIXYIFGXRILB-RDJZCZTQSA-N 422.555 1.531 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705708193 ZHAKTKJVALXYQB-DJPFJPOOSA-N 419.526 1.236 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705721208 PSANGSYHWQTYPF-ZDUSSCGKSA-N 406.512 1.200 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705810907 LCYSFSGAQILYBV-RLFYNMQTSA-N 413.544 1.239 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1705900377 AMWUNSPMFSSQMS-HNNXBMFYSA-N 407.478 1.768 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(NC(=O)C2CC2)CC1 1705930755 VDXJWJIECBKYJS-OAHLLOKOSA-N 423.583 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1cccc(C)c1 1705934325 ISIRNHTWTPPHOZ-INIZCTEOSA-N 403.508 1.906 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(N)=O)C1 1705939675 JKBFMNUXYHCGOE-ZDUSSCGKSA-N 401.496 1.156 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706068323 ICMLNUCBJWKLCF-ACJLOTCBSA-N 423.926 1.744 30 10 HDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)c1 1707708699 CQTNAQRIZSMHRJ-MRXNPFEDSA-N 422.493 1.634 30 10 HDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1F 1711820585 BBBBKYZMLKXDOJ-HNENSFHCSA-N 414.441 1.897 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)cc1 1711880212 DAEZHZAHCMOESL-IBGZPJMESA-N 402.430 1.396 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCCCC1 1712566095 KGNFTRBXOGHBDQ-OTWHNJEPSA-N 420.558 1.853 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1722345010 ACMKBVHDYVVQBW-HNNXBMFYSA-N 412.450 1.418 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCC=C 1722380134 FISMMOYEVSDVNC-UHFFFAOYSA-N 416.485 1.858 30 10 HDEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722552516 QXKLZGQARDKGPZ-UHFFFAOYSA-N 422.961 1.890 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1722639003 VUDHBZOBENMWAV-JOCHJYFZSA-N 424.505 1.839 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1722668644 VMWJTOOIMCSDTR-UHFFFAOYSA-N 406.508 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C)C1 1722693536 RKDZJPYNPTWSOT-NSHDSACASA-N 409.288 1.563 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCC2=O)CC1 1722702946 RQPNXMGNYSFCMY-MRXNPFEDSA-N 402.499 1.023 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc21 1722726258 ZZQAZMUMGGYMON-UHFFFAOYSA-N 415.519 1.809 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C1 1724009786 FUHDQXAKVIWEFC-KFKAGJAMSA-N 423.539 1.116 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1726636976 DLCUCEVQPNXQSG-PBHICJAKSA-N 421.505 1.398 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1726775426 HJSMLBZFNOUQGZ-JLTOFOAXSA-N 409.450 1.746 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740575345 NQTABZHFUYTKDC-SFHVURJKSA-N 402.543 1.186 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](F)COC 1740669450 ALNFXOPMQZCZJS-KRWDZBQOSA-N 401.490 1.896 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740888369 MDKXIAGLXNBNAM-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1740901489 GWVUEJKHQRDBNA-UHFFFAOYSA-N 411.915 1.555 30 10 HDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741152011 GLJHYMNQURGECR-DLBZAZTESA-N 415.542 1.468 30 10 HDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1743175799 FDYYXACCFRYBHD-INIZCTEOSA-N 424.505 1.857 30 10 HDEE CCNC(=O)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1746503729 WGYUJKWMUUJQPQ-QZTJIDSGSA-N 410.478 1.656 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748748499 YQNFQYYJBMETJC-ZDUSSCGKSA-N 405.480 1.043 30 10 HDEE COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)c(OC)n1 1748797497 AXPMUCIQHJHGKB-IBGZPJMESA-N 412.429 1.581 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1748896587 GKVIRTNPBDBXEM-VQTJNVASSA-N 408.502 1.880 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1 1748980121 ZYRBESZALWRLTH-PMERELPUSA-N 422.558 1.873 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)c2ccco2)CC1 1748994623 LAXCOVBHUZIJMA-JOCHJYFZSA-N 423.521 1.396 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1749614590 ZHRWINLHOXWUHQ-MSOLQXFVSA-N 408.503 1.863 30 10 HDEE C=CCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1749626244 ZCYYTLUIWJLDRF-UHFFFAOYSA-N 400.527 1.672 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1750079349 PRZCHLDBEWDWBO-CBGDNZLLSA-N 416.526 1.725 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2[C@H]3CCC[C@H]23)n1Cc1ccc(C#N)o1 1751204489 PHNDOPHWXGYRCV-CQDKDKBSSA-N 404.496 1.636 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cs1 1751783105 RBTDYAGAZMHXTE-HNNXBMFYSA-N 415.523 1.408 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760099030 BWLWHBUZLATBDY-AOMKIAJQSA-N 413.522 1.832 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760170479 DZADEWABNIMZNL-UHFFFAOYSA-N 422.489 1.191 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760181419 VGIFUUZHOUMOSF-RHSMWYFYSA-N 406.483 1.820 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760184431 XEPJDIOQXJXGLM-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1760190927 WWIPGGPNKXGQMG-FUHWJXTLSA-N 408.568 1.920 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cnn(C)c2)n1 1760251700 DVVSYLAPLUKQHB-UHFFFAOYSA-N 410.526 1.840 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2CC(OCC)C2)CC1 1760252083 LQETXSXWFDNMBH-UHFFFAOYSA-N 414.554 1.475 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2COC)CC1 1760252944 YMJAQVJYNZERLY-UHFFFAOYSA-N 422.533 1.464 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCCOC)CC1 1760273078 HRZAIECLNWZPPI-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)[C@H](C)CC 1760294674 DCBZCBPMQJYECE-SMOSDQRPSA-N 408.568 1.969 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C)s2)CC1 1760396949 LSTQPHIIAKHCEP-NSHDSACASA-N 411.557 1.499 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760522415 SOKOTUVRIKMZMF-OAQYLSRUSA-N 405.543 1.943 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCOC1 1760526559 PXIZNMSQPATDLQ-AWEZNQCLSA-N 418.523 1.045 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1761362303 BLSYCSBKDPMWKU-BBRMVZONSA-N 416.507 1.066 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1768119613 HSJRUZUUUYQXER-UHFFFAOYSA-N 415.494 1.743 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCOC1 1768578203 PELHLZJMYVHZHN-YTQUADARSA-N 413.478 1.494 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772787205 ZKQSGSSNXSDDMK-UHFFFAOYSA-N 403.435 1.684 30 10 HDEE COC(=O)CC[C@H](CC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 1772794765 WDLGYYASWPWDAT-GFCCVEGCSA-N 420.418 1.977 30 10 HDEE CCC[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1772859175 WTQYKZAVDWDRQF-STGLLQLASA-N 410.482 1.886 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 1849201412 DJSVERZHYMCXMO-UHFFFAOYSA-N 424.482 1.442 30 10 HDEE CC(=O)N1[C@H](C(=O)N2CCN(CCC#N)CC2)CSC12CCC1(CC2)OCCO1 1851700521 YWBCYODTSVUFCN-KRWDZBQOSA-N 422.551 1.022 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3cnc4ncccc4c3=O)CC2)c(Cl)c1 1852484531 UPFYWRUKKOAPOS-UHFFFAOYSA-N 408.849 1.665 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)C1CN(c2ncc(F)cn2)C1 1852769278 NCJWQZITRRQOPF-UHFFFAOYSA-N 400.414 1.544 30 10 HDEE CN1C(=O)[C@@H]2CN(C(=O)CCON=C(N)c3ccc(C(C)(C)C)cc3)C[C@H]2C1=O 1853461857 GUTHWAXJFBYFFP-HZPDHXFCSA-N 400.479 1.084 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853610995 LRJSHUULOIFYJT-DLBZAZTESA-N 406.527 1.317 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1=O 1854240622 FCRLEOBWRKYLOD-RTBURBONSA-N 407.474 1.332 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C12CCCCC2 1854418951 PCFIVVHMLNBEER-LLVKDONJSA-N 413.393 1.504 30 10 HDEE CCS(=O)(=O)C1CN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854964114 KYSIRUKIMSYYQM-MRXNPFEDSA-N 409.895 1.266 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855187402 XPLZJEAFGGVRNT-YOEHRIQHSA-N 402.428 1.873 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)C1 1855879343 KXYHRMGXDFEHRY-AEFFLSMTSA-N 412.490 1.255 30 10 HDEE COc1ccc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cc1 1856381942 XOGYLQXHIOSJMA-OAHLLOKOSA-N 406.442 1.714 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1=O 1856721816 KOYMWJWTHOUHEV-IAGOWNOFSA-N 400.479 1.403 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccccc3F)C2)CC1 1857042379 XEYDTXZECYSJPB-INIZCTEOSA-N 407.467 1.309 30 10 HDEE Cc1noc(C)c1CC(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857071740 SCQKNFGEJMLNCP-GOSISDBHSA-N 408.462 1.050 30 10 HDEE CCc1ccccc1N1C[C@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857325809 ZVWCPHRVOKLLIV-QUCCMNQESA-N 408.502 1.965 30 10 HDEE C[C@@]12CCC(=O)N1CCN2C[C@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1857451891 SMZNDLNBEHVGJS-XXBNENTESA-N 408.502 1.910 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(C(=O)C4CC4)CC3)CCC2=O)cc1C#N 1857475309 UJQVTAUQPWBASK-QGZVFWFLSA-N 408.502 1.800 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862626471 CEZITZFFEDIRQQ-YPMLDQLKSA-N 413.382 1.786 30 10 HDEE Cc1nnc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)o1 1867031061 FIAPHOOUMLIRSV-RBUKOAKNSA-N 419.441 1.888 30 10 HDEE Cc1nnc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)c2ccccc2)o1 1867037102 WLHMSQQEHHKTNL-RTBURBONSA-N 419.441 1.888 30 10 HDEE C#CCOc1cn(Cc2ccncc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560366 SFCUOUHFPGBZLE-UHFFFAOYSA-N 416.485 1.416 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1cccc(C(=O)N2CCNC(=O)C2)c1 1873733588 MQRZVDVBLLCNBM-UHFFFAOYSA-N 409.442 1.841 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1/N=C/c1ccc[nH]1 1874431884 CLZWZOBSRMERDX-LSFURLLWSA-N 415.454 1.994 30 10 HDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NCCCCN(CC)CC)ncnc21 1875230605 HEOWJJYHFIAUBR-UHFFFAOYSA-N 400.527 1.968 30 10 HDEE O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)NCC#CCN1CCOCC1 1890144436 VSVWMRXWBAICEE-UHFFFAOYSA-N 407.370 1.228 30 10 HDEE CN(C)CC#CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 1890370764 LIQYMTBOLFTNJS-UHFFFAOYSA-N 403.479 1.599 30 10 HDEE CCS(=O)(=O)CCNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1890710338 LFLPCMMASIERGY-ZWKOTPCHSA-N 423.560 1.503 30 10 HDEE C#CCOC1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCOC)CC1 1891258235 ZQCNKFMTGXJLGQ-UHFFFAOYSA-N 408.458 1.550 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N 1963330026 MUCGKDCZQJGBJF-MRXNPFEDSA-N 400.460 1.985 30 10 HDEE C=CC1(NC(=O)C2=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993332863 YLINHQBCJHDMJF-LSDHHAIUSA-N 423.510 1.862 30 10 HDEE CN(C[C@@H]1COCCO1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116147487 DAMWWGSMNRNKCY-CYBMUJFWSA-N 413.121 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 2126185352 KBAGGMWXZVPXOP-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139217213 XMLZKYSZEKOQCM-QRWLVFNGSA-N 421.494 1.028 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2188791142 OQCKONSRAWECQI-ZIAGYGMSSA-N 403.501 1.348 30 10 HDEE CCS(=O)(=O)CC(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2189442475 UPTQVZRRFNTNJA-NSHDSACASA-N 402.347 1.396 30 10 HDEE C[C@H]1OC2(C(=O)ON3C(=O)c4ccccc4C3=O)CC1(NC(=O)OC(C)(C)C)C2 2241402659 XSTOLQDDENAXAR-SEKRXSDASA-N 402.403 1.956 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386901 JTNTZIZNUIXYBV-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE Cn1ncc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247779160 OMTKVCBNNUNKNP-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856904 OQCRGYDEGUSGPY-JSGCOSHPSA-N 418.303 1.419 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2247857440 UTNIZYGVLYRPAD-DZGCQCFKSA-N 419.331 1.967 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N(C[C@@H](C)C#N)C1CC1)NC(=O)OCc1ccccc1 2270494127 JJTHBCUHRXBVIO-YOEHRIQHSA-N 423.491 1.408 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccc(Cl)s1 2282305933 GHGJCGLFKQUKPH-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H](CCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282306422 MYNXJROSYPJVOF-JOCQHMNTSA-N 401.359 1.795 30 10 HDEE CCOC(=O)C1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282341087 NLHRIAUVKIRFER-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE CC[C@](C)(CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415018 AMBFABLEZGVLSN-MRXNPFEDSA-N 404.363 1.413 30 10 HDEE COC[C@@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495392 LSULHCQSKTYLPI-SMDDNHRTSA-N 401.721 1.952 30 10 HDEE CC(C)C[C@H](CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505199 ABOKEQXBCFWBHI-CQSZACIVSA-N 402.391 1.840 30 10 HDEE Cc1nn(C)c(C(=O)N2CCCC[C@H]2C2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282579095 ZZYHJNYKAARPLP-AWEZNQCLSA-N 405.304 1.395 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H](CO)O1 2282629493 WNWPNJZQCXCGEV-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(F)CC(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282833699 JDMVIRCLQGHOCL-UHFFFAOYSA-N 404.338 2.000 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](F)(CO)C1 2282836831 PRVUBWQSQNBNLZ-MRXNPFEDSA-N 405.322 1.451 30 10 HDEE CC1(C)CC[C@H](O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858673 ALQMIRXEMXBGDN-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CSC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873460 LQKTYEBARFGZRX-PWSUYJOCSA-N 401.363 1.058 30 10 HDEE C[C@@H](CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2283089086 QQZVZAPOSNEZIA-JTQLQIEISA-N 402.709 1.046 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284403464 RWFKZGPXKCAJTP-GXFFZTMASA-N 401.315 1.531 30 10 HDEE CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284404787 ZQRMZUFMNBEIEP-LLVKDONJSA-N 403.331 1.921 30 10 HDEE CC1([C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(=O)O)CC1 2284415359 XDWMUPLIYRUPRO-LLVKDONJSA-N 401.315 1.579 30 10 HDEE CN[C@@H](C#CP(C)(C)=O)C1(O)[C@H]2COC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2285832166 XFULZJWYXKYURV-QULKZQGFSA-N 400.456 1.839 30 10 HDEE Cc1cccc(N=C(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]c2=O)c2ccccc2)c1 2297640566 PYTOAGVVDFNOKV-UHFFFAOYSA-N 415.453 1.992 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1c(Cl)cccc1Cl 2330743932 WQJGATZOBHFIHA-UHFFFAOYSA-N 401.279 1.681 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2335515276 JDOKKMYYEGTEDJ-GFCCVEGCSA-N 405.542 1.172 30 10 HDEE C#C[C@]1(O)CCN([C@@]2(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc3ccccc3)C2)C1 2346595424 KGMTYIZROGVPGW-COPCDDAFSA-N 400.475 1.947 30 10 HDEE CC(C)CNS(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361589877 BXDPTQOBYKCSNK-UHFFFAOYSA-N 400.375 1.896 30 10 HDEE CCN[C@@H](C#Cc1nc(CC)cs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363993232 AEWQARXTXVILML-LSDHHAIUSA-N 415.581 1.973 30 10 HDEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@@H](C#N)C1 2364214578 OBNKNFDZBTVRSZ-VBQJREDUSA-N 402.517 1.081 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2365199084 LFWVOAHYDIEQOE-PMPSAXMXSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)(C)C 2365207167 LWZRAYKAFRDCGJ-LIRRHRJNSA-N 404.573 1.703 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2367795100 KTPAZAISFYKJND-YJBOKZPZSA-N 400.541 1.619 30 10 HDEE CC[C@](O)([C@H](C)NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808177 AMUOMUXELOWWBU-DOXZYTNZSA-N 402.557 1.599 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2ccccc2I)CCC1 2367832703 BYJBQNWAAAHKFQ-CYBMUJFWSA-N 404.273 1.766 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](CC)(C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2372721624 GKTLXSAETRYYPL-IYOUNJFTSA-N 402.513 1.255 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375782749 WABCKIYYTVSSNE-KBXCAEBGSA-N 404.529 1.666 30 10 HDEE S=C(NC[C@H]1CCCO1)N/N=C1\C2CN3CCN(C2)CC1(Cc1ccccc1)C3 27571138 GYZRKHBILYGCGK-HYOQYIMFSA-N 413.591 1.476 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCc1ccc(S(N)(=O)=O)cc1 60604181 XJOIYZHLOQSAFA-UHFFFAOYSA-N 403.460 1.690 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 63863397 QSSASBGUBJIYJJ-UHFFFAOYSA-N 406.533 1.780 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)c(OC)c3)C2)c1=O 101455762 ONLZAZSGSWGCJX-AWEZNQCLSA-N 414.418 1.143 30 10 HDEE COC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OS(=O)(=O)c1ccc(C)cc1 106382172 GWIBCLYQHGMNAQ-APIJFGDWSA-N 402.421 1.728 30 10 HDEE C#CCN(CC(=O)N(C)Cc1ccc2cc(OC)ccc2c1)[C@@H]1CCS(=O)(=O)C1 111046823 VXLWLHXJEHJINW-HXUWFJFHSA-N 414.527 1.929 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccco2)C1 256033852 SCJLZRNGFJCZQJ-MBNYWOFBSA-N 411.418 1.778 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCc3ccc(S(=O)(=O)N(C)C)cc32)cc1C#N 427286931 HXFLNPWGARPMFG-UHFFFAOYSA-N 420.516 1.654 30 10 HDEE COC(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C(=O)OC 438572607 FSFGGIGDFIWBTM-UHFFFAOYSA-N 423.429 1.881 30 10 HDEE CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 438699397 VMPNQSMFDIQFBM-HNNXBMFYSA-N 401.854 2.363 30 10 HDEE COC(=O)CC1(NCC(=O)Nc2sc(C)c(C)c2C#N)CCS(=O)(=O)CC1 439261533 NNTXMFQWSYEDDO-UHFFFAOYSA-N 413.521 1.275 30 10 HDEE COc1ccccc1N1CCN(C(=O)Cc2noc(-c3cc(C#N)cn3C)n2)CC1 445497783 HLJINEHWXOTVDV-UHFFFAOYSA-N 406.446 1.847 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@@H]21 460389168 PXZPPHSRYCNQIK-ULQDDVLXSA-N 409.556 1.956 30 10 HDEE CN1CCN(c2ncccc2CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462091657 SZVSDKTVPXQLPN-UHFFFAOYSA-N 417.477 1.607 30 10 HDEE C[C@H]1[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(=O)N1Cc1ccccc1 466843913 GRSOJTZNBZTXIM-FXAWDEMLSA-N 418.501 1.974 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 482249407 OTTNEBMGXHJRTC-DLBZAZTESA-N 413.478 1.720 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 487493481 BMIAVVAPVVXXHK-WOJBJXKFSA-N 417.469 1.764 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 501955398 NJZGQUWFYZRZBZ-OAHLLOKOSA-N 408.528 1.808 30 10 HDEE COc1cccc([C@H]2[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC(=O)N2C2CC2)c1 503628261 MABSHRVRVVTBPB-RXVVDRJESA-N 410.474 1.332 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C(=O)OC)C[C@H]3C(=O)OC)cc2C1=O 504885119 IUHOPSHOCIDVKB-CJNGLKHVSA-N 414.414 1.035 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)Nc3ccc4c(c3)N(S(N)(=O)=O)CC4)CC2)c1 507208405 FMSFORAKWRGIEF-UHFFFAOYSA-N 400.435 1.934 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(Oc3ccccn3)cc2)CC1 512718552 PKXKEJPCFZBJFL-UHFFFAOYSA-N 410.474 1.699 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 518958463 PBKZLWUPVXHFGX-SFHVURJKSA-N 420.535 1.205 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1OC 520148579 ALRUHJDQJXVZKO-MRXNPFEDSA-N 421.450 1.892 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)n(C)c2n(C)c1=O 527187308 BDJAXTPPKLEBCZ-UHFFFAOYSA-N 421.457 1.131 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC(=O)N2C)cc1 538256817 CGNXOGVERJFALH-BEFAXECRSA-N 410.478 1.483 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](S(N)(=O)=O)C2)n1 546110876 UGFWYDXIJGVXRD-CYBMUJFWSA-N 408.871 1.682 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 549891677 PXGPIUJIENLTEM-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 553036517 YDKVYYMVIXFLMV-KRWDZBQOSA-N 415.519 1.960 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 553309651 YBJJPTJNWLEBNH-DQYPLSBCSA-N 404.417 1.494 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc3oc(O)nc3c2)CC1 561599929 CEZBVFGQFDJCGQ-UHFFFAOYSA-N 412.427 1.552 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 562742527 DXMIIWUWZGCDLE-UHFFFAOYSA-N 419.485 1.941 30 10 HDEE Cc1ccccc1-n1ncc2c(=O)n(CCS(=O)(=O)c3ccc(C#N)cn3)cnc21 571563841 QMFUAHCMHMWEJX-UHFFFAOYSA-N 420.454 1.631 30 10 HDEE Cc1nc(N2CCCC2)cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 585479537 YSXSPHXADBGYGN-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)C1CCN(CCc2ccccn2)CC1 586860152 UZBSKFJOHSUPRK-UHFFFAOYSA-N 423.492 1.874 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610005548 ZALOFQDJSKWEHR-UHFFFAOYSA-N 413.425 1.817 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1Cc1ccccc1 610929053 UCDRRHDXEPUTRI-UHFFFAOYSA-N 415.927 1.922 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CC1 611091290 QDXMVYDRVAUWEF-INIZCTEOSA-N 401.486 1.532 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)n1 612820087 GTDGIOPJFSFCAF-UHFFFAOYSA-N 403.442 1.678 30 10 HDEE C=CCOCCNS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 679474924 OSPZXHYPDAVXCD-UHFFFAOYSA-N 402.538 1.651 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729332565 ZXISZZIIKKLLLZ-NVXWUHKLSA-N 404.488 1.087 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 732152894 GXQSPGWWSPDEMM-QBHGPPCGSA-N 414.462 1.895 30 10 HDEE CCN(CC)[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccsc1 732447836 AEJPBLJHCMLFEE-HEWTWTGNSA-N 405.524 1.957 30 10 HDEE CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732705487 ABTCYBAXDZEYBC-GOSISDBHSA-N 423.517 1.696 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734278231 QODIFKDZCMUANY-MRXNPFEDSA-N 409.531 1.015 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 742294782 DMBDCGAJUJGXRC-PFONDFGASA-N 414.281 1.562 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1 750696707 CRKURHQDOLJWLJ-MRXNPFEDSA-N 407.517 1.596 30 10 HDEE C#CCN(C(=O)NCc1cc(OC)ccc1Br)[C@H]1CCS(=O)(=O)C1 774182214 XLHZAYLTNQPWEU-ZDUSSCGKSA-N 415.309 1.790 30 10 HDEE C#CCN(C(=O)NCCOc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 774262066 MCWFSSMFPKCURC-LBPRGKRZSA-N 405.398 1.311 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)c2C)nn1 779315598 GKDUVEXCJQRCQD-UHFFFAOYSA-N 418.479 1.513 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)N3CCC(CC#N)CC3)ncnc1-2 781935185 NQZHCEWIXLJQMX-UHFFFAOYSA-N 421.303 1.246 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3cc(OC)c(OC)cc32)n1 788369675 LANPXWRYALWVIU-UHFFFAOYSA-N 412.446 1.169 30 10 HDEE C[C@H]1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 793480780 MXKFNDPWGZRQSN-HJUNTIBCSA-N 406.483 1.665 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 797694968 JFWQTKLXIJOVPA-GUXCAODWSA-N 406.504 1.397 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](c2ccccn2)C1 799281399 DMMKNXBQELDXKU-INIZCTEOSA-N 401.430 1.797 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1)[C@@H]1CCS(=O)(=O)C1 802371647 WORFLYZCNVGJPP-NVXWUHKLSA-N 405.476 1.020 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2ccc(F)cc2)C1 802622052 FRNNNCWHOKKKFT-CYBMUJFWSA-N 403.435 1.094 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N 804265505 IYPFHTAQWTVVGW-MRXNPFEDSA-N 416.478 1.699 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccc(F)cc1 812933572 HESZZJCIRODXPI-LJQANCHMSA-N 414.481 1.646 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cn2c(O)nc3ccccc3c2=O)cc1 917036798 ZMJZSSJDOSBOPK-QGZVFWFLSA-N 420.425 1.178 30 10 HDEE C[C@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1 917101351 SJCNHJAFLRJHSF-CQSZACIVSA-N 409.494 1.774 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 918754995 QRHPKTMATKMVRW-SJLPKXTDSA-N 422.934 1.841 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccccc3O)n2)o1 1084153363 RFDQYMBLYFGKMN-UHFFFAOYSA-N 416.467 1.700 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccc(F)c3)n[nH]2)cn1 1084262492 LJIJCPAGUQRSQK-UHFFFAOYSA-N 418.458 1.964 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1 1129126882 LRBKFYABISIKTG-UHFFFAOYSA-N 410.451 1.936 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@]34CCCC[C@@H]3NC(=O)C4)CC2=O)cc1Cl 1134949323 CLDDUFAITRCAQQ-ZSOFBXJNSA-N 400.866 1.882 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C#CC(C)(C)C)CC2)cc1 1135697865 XJTWKXJQDHBCBR-UHFFFAOYSA-N 406.504 1.746 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 1137113929 ADJCGDRKJWQSNW-QGZVFWFLSA-N 414.487 1.061 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2ccc(OC)cc2)s1 1137397526 CQUKATLJBHVQMP-MRXNPFEDSA-N 410.517 1.613 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1138417440 KPCAPTMHMLULPW-MRXNPFEDSA-N 403.464 1.687 30 10 HDEE C=CCN(C(=O)c1cc(Br)cc2nc(O)[nH]c12)[C@@H]1CCS(=O)(=O)C1 1142059120 APWRXBOUAMJSRQ-SNVBAGLBSA-N 414.281 1.846 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(CO)ccn1 1142705342 IBKAILXSZMCQBD-HNNXBMFYSA-N 402.476 1.666 30 10 HDEE C#C[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1)C1CCOCC1 1148194704 PIRFLJKBLOIBFR-CNNODRBYSA-N 400.475 1.693 30 10 HDEE Cn1c(=O)[nH]c(N2CC[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1164164915 LKFNCEHWWBZOKB-GHMZBOCLSA-N 417.388 1.227 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@]2(CO)CCc3cc(Br)ccc3C2)CC1 1171949214 MVRHSHLAMFUNHM-FQEVSTJZSA-N 420.351 1.036 30 10 HDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 1175464059 QCBQURJXOVWJCL-MQVJKMGUSA-N 415.475 1.465 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCOC3(CCS(=O)(=O)CC3)C2)c1C 1198731610 KJANRQUPZNYBAT-UHFFFAOYSA-N 419.547 1.830 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1212123245 GXFGCBCLPVFVGS-MRXNPFEDSA-N 412.533 1.192 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1220787864 XDMFFDBRMSIPRT-OAHLLOKOSA-N 413.540 1.465 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@H]2Cc2ccccc2)CC1 1226600502 SORXJOZPSUBLPL-VQTJNVASSA-N 418.563 1.583 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1233623993 GBFMQHPLPQNTJI-INIZCTEOSA-N 410.515 1.442 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1286409203 ITELRCNROGCGAR-UTKZUKDTSA-N 418.563 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(N)=O)c1 1286421431 DMURXMIPTCFXMN-QHCPKHFHSA-N 421.501 1.540 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1286449670 CBCTXGHIJDNNPY-IBGZPJMESA-N 415.586 1.134 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286452671 QLNGKAKUNVTWQU-ZRNYENFQSA-N 419.570 1.961 30 10 HDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)cc1 1286796169 IHFCOKLVJOUMFQ-KRWDZBQOSA-N 424.505 1.325 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286818387 HSJPYXVDFCIKOL-IRXDYDNUSA-N 421.523 1.258 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2cc(F)ccc2F)n1 1289435975 HWGGQNWCGCVLOI-BBATYDOGSA-N 406.414 1.376 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc([C@@H](C)O)cc3)CC2)c1C#N 1290576745 HLHAIBZKECIGPY-MRXNPFEDSA-N 420.521 1.928 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ncc(Br)cn3)C2=O)cc1 1297333129 BBLWXYWCUBEIEM-CQSZACIVSA-N 400.236 1.642 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CC3(Cn4cnnn4)CCCCC3)C2=O)cc1 1297333625 GMAKGEOONVNDNW-LJQANCHMSA-N 421.505 1.803 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298486723 FDANHMIFQIURMO-OVNYHOGHSA-N 418.473 1.493 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1cccs1)C1(CO)CCC1)c1cc[nH]n1 1299966936 QVTWKWRDHIPFHM-KRWDZBQOSA-N 420.491 1.775 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](Cc1ccccc1)c1nccn1C)c1cc[nH]n1 1300235229 RMRZQKNVPKKEDD-QGZVFWFLSA-N 424.461 1.527 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300489093 IPFQDDGVUKFJEP-MRXNPFEDSA-N 416.503 1.105 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCN1CCOCC1 1300521349 VVARDIYWZMGPLW-UHFFFAOYSA-N 423.517 1.757 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C)C1=O 1300648282 MSIMOXSGTXBXHN-JOCHJYFZSA-N 419.464 1.992 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1300777837 DXIBDSUQRXXDBQ-YLJYHZDGSA-N 421.567 1.402 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1301286163 BLJDXPSHKSNXCP-UHFFFAOYSA-N 419.555 1.775 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnnn1 1301362567 FZOLSNRREKEDBJ-OAHLLOKOSA-N 413.511 1.560 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301429355 ZBSBTOULJGHDDV-ACJLOTCBSA-N 409.487 1.311 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@H](C)[C@H]1C 1301479111 TZZPDGNVZWHCRT-ZIAGYGMSSA-N 408.572 1.829 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 1302619217 ZATLBIIUVFDFAA-ZDUSSCGKSA-N 405.455 1.663 30 10 HDEE CC(C)[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1302782454 IHDPCRJAQCETJV-FTHOYRMOSA-N 414.510 1.618 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(CC(N)=O)CC2)o1 1302991988 RSGTZILSYXXWFE-UHFFFAOYSA-N 405.462 1.869 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)c1 1303504838 HVGGMFAADXCSLM-SFHVURJKSA-N 420.531 1.694 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)cc1 1310130488 DJFIGDYIOKJGBR-RBSFLKMASA-N 408.524 1.965 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1313041794 GWUORSJMZDHFAY-ZDUSSCGKSA-N 414.388 1.491 30 10 HDEE CS(=O)(=O)N1CCCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1313103788 CNEGPUGDVLPUAG-UHFFFAOYSA-N 405.524 1.204 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](F)COC 1314394106 VRWYHBVLRGPHIV-INIZCTEOSA-N 403.462 1.392 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1314861657 ZBWBKTMDBWHIFF-IRXDYDNUSA-N 401.515 1.222 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1358077218 KUMXXZVVEXKJBR-LJQANCHMSA-N 407.474 1.969 30 10 HDEE C#CCN(C(=O)C1CC(OCC)C1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358759014 ABMOBLGBPQJSHS-JQQJYQBTSA-N 400.519 1.678 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1358962534 RMRHOJUEDYRPEY-KRWDZBQOSA-N 402.524 1.344 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359096429 BMADQCUUOWCAFO-JQHSSLGASA-N 423.583 1.902 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CC1 1359107879 XJCCWSPUMFDQGC-YMXBGEKHSA-N 403.574 1.202 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1359281377 XIUQLDXQDWZMQN-MRXNPFEDSA-N 416.457 1.646 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359296526 LXHZGBZRKWGKTH-ZWKOTPCHSA-N 419.489 1.176 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359300931 NDVMSYHSOFLXIS-RBUKOAKNSA-N 411.506 1.532 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1359301451 YWEOXFOYXFOZOK-OXQOHEQNSA-N 412.425 1.535 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CCOCC)[C@@H](CC)C2)nnc1C(C)(C)C 1359305337 ANXPHTLAGNPMFK-KRWDZBQOSA-N 406.575 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1C(C)(C)C 1359335466 MGTCACDGUPVFFK-HNNXBMFYSA-N 424.571 1.217 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@H]1CCOC1 1360206846 JUHKECVXJDCINI-BEFAXECRSA-N 408.478 1.301 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCCC1(C)C 1360671025 BDMYKRMEXUHNOX-KUHUBIRLSA-N 424.571 1.569 30 10 HDEE COCc1nnc2n1CCN(C(=O)COc1ccc(C#N)c(Br)c1)C2 1437426108 WQAMPKNXOCYWRT-UHFFFAOYSA-N 406.240 1.480 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccc(C#N)cc2[nH]1 1438133552 AMITXBAVADZVNK-UHFFFAOYSA-N 414.447 1.046 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc([N+](=O)[O-])ccc1I 1438604344 UZSVOBZLQPAUSN-UHFFFAOYSA-N 417.159 1.728 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCS(=O)(=O)N3CCCC3)ccc2c1=O 1456446407 ZXWJCQZKMRDJAY-UHFFFAOYSA-N 422.532 1.027 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2F)n1 1457198625 JJXBOEYVQQRRTH-UHFFFAOYSA-N 408.393 1.459 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1 1458993700 HTQZHTYKOMPCML-UHFFFAOYSA-N 409.490 1.682 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1462406919 ZMVZKLSBWRGIOR-HXUWFJFHSA-N 406.552 1.776 30 10 HDEE NC(=O)[C@H]1CC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)=NN1c1ccc(F)cc1 1463086741 KIAPHSNAGGOQSG-QGZVFWFLSA-N 400.410 1.110 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ncc(CC(=O)OCC)s2)c1 1469084705 XKBOPBQGWPXJFL-UHFFFAOYSA-N 407.473 1.413 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CCN2Cc2ccccc2)C1)c1cc[nH]n1 1469303320 QKRZALUTJYDSES-UHFFFAOYSA-N 411.462 1.180 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H](CS(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 1470834210 COUFTJMFPJAXEG-HNNXBMFYSA-N 415.556 1.587 30 10 HDEE C=CCCONC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1472599615 BUPXRUBNWWULJM-UHFFFAOYSA-N 411.524 1.791 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)c1 1474857107 WRGKZKBVLXJROH-IBGZPJMESA-N 404.463 1.923 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)CC1 1475292464 BTHYFRUOISOAJY-CYBMUJFWSA-N 405.476 1.452 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1502337175 CNAQKIVTHLIBFI-QZTJIDSGSA-N 418.590 1.428 30 10 HDEE CCO[C@@H]1C[C@@H](N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1502939703 DRLNIWBIXMQIDM-BNIZFGOISA-N 414.510 1.897 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1503359090 HDNRGNVTQJEHTJ-MGPUTAFESA-N 404.490 1.873 30 10 HDEE COC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504689695 PCPVQNABMHACAS-UPTRSRDDSA-N 402.499 1.575 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507545094 BLHMQTUVYPQWKR-LSDHHAIUSA-N 403.449 1.926 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507666501 ATXCHDKEERAVJB-JKSUJKDBSA-N 422.455 1.576 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1507678006 BZGVALWXHSZQHI-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@@H]1C 1507713085 XRGCTDJOIRUTAQ-HKUYNNGSSA-N 422.533 1.766 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507744323 RCFCTKHNUCDTBO-GOSISDBHSA-N 418.611 1.901 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507829596 DXTNMAXJMMUXGM-HNNXBMFYSA-N 410.544 1.104 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507835720 KMPFNDQMYMFVMD-KRWDZBQOSA-N 406.531 1.362 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507956919 IIDXXLDIUXOLEC-HUUCEWRRSA-N 405.455 1.221 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 1518827458 QXVJJKBBPXDHPM-NJDAHSKKSA-N 423.513 1.555 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC=CCC3)n2CC2(O)CCS(=O)(=O)CC2)c1 1521069362 JJGTWLBHLNIBBD-UHFFFAOYSA-N 413.503 1.523 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@H]1C(C)(C)C 1532731910 BSJMEBZKUQMQJA-KRWDZBQOSA-N 417.535 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@@]3(C#N)CCSC3)nn2)C1 1534756464 OUZPJCKQKPMWHY-FZKQIMNGSA-N 406.512 1.979 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539067551 HQZZIQGYANEMTJ-SFHVURJKSA-N 424.553 1.575 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H]2OC)CC1 1539428644 VHGMFYBTLPMVHN-ZWKOTPCHSA-N 423.521 1.496 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1539441861 XJZXXOQISUDGCK-FQEVSTJZSA-N 406.490 1.377 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C(C)C)N1CCOCC1 1539533452 QRQMTBCHKOOIFF-XMSQKQJNSA-N 416.570 1.765 30 10 HDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@@](C)(C#N)C2)C1=O 1539935400 LYIZOPKWHKEHPL-ROUUACIJSA-N 419.279 1.978 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1)C1CC1 1540113643 AGOVPNXQHXXOFV-LJQANCHMSA-N 403.508 1.576 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1540179890 CTEVRYNYZSMTGJ-WMZHIEFXSA-N 424.549 1.531 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1540859402 ZPAFKIUCJRQSBB-INIZCTEOSA-N 415.523 1.221 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1nc(O)c2ccccc2n1 1540898386 IXUPIQLVPKISHS-UHFFFAOYSA-N 402.480 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCNC(=O)[C@@H]1CC 1540900087 KPWMPQMIMDGXMV-KRWDZBQOSA-N 417.535 1.569 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540915652 NAEPECSEVLCWLY-OAHLLOKOSA-N 418.567 1.597 30 10 HDEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1541752650 HRMVQUMSVCMYCD-GOSISDBHSA-N 409.494 1.846 30 10 HDEE CCc1nncn1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1544230135 QWTYKNHDHSCMBV-CHWWFWEZSA-N 402.499 1.744 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OCC)nn1 1545100037 LJIMOVBJVFTFBA-OAHLLOKOSA-N 407.471 1.479 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCO[C@@H](C)C1 1555556717 GWGFEWYPHFUZKQ-ULQDDVLXSA-N 404.515 1.801 30 10 HDEE CO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555772772 AIUPSGIPABGWNX-YESIBHTGSA-N 416.482 1.271 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CSCCS2)cc1 1555989188 BQJXORZUYHHBFM-INIZCTEOSA-N 414.560 1.992 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1555989957 IPEXVTLPVLWMLJ-KRWDZBQOSA-N 401.515 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCCC(C)(C)[C@@H]1C#N 1556499454 DMVZLFAILNQHKB-KBPBESRZSA-N 401.529 1.855 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 1557534174 AASWMJGPXMLDLX-POZUXBRTSA-N 415.519 1.486 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1558382851 GKPYYDNVTMOMHX-YLJYHZDGSA-N 424.519 1.456 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NCc3ccnc(C#N)c3)c([N+](=O)[O-])c2)CC1 1559181127 GHUAVDVBJXVRBP-UHFFFAOYSA-N 416.463 1.410 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1564703014 BKBKOOFHCHRRGQ-SXLOBPIMSA-N 419.497 1.876 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1565156263 GNFGVWQKDMNFMO-CYBMUJFWSA-N 401.435 1.019 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(Br)cnc3O)C2=O)cc1 1568504808 HHORJVVLHJWVBD-OAHLLOKOSA-N 415.247 1.952 30 10 HDEE CC[C@H](COCC(F)(F)F)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1569529058 CMUTUYXBUFLVIS-VXGBXAGGSA-N 421.441 1.977 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@]2(OCCO)CCOC2)C1 1584112360 ARNWESJJUAKPJK-SFHVURJKSA-N 424.295 1.041 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2sccc2CC#N)CC1 1584509213 GTQXAFXNIPXIDF-UHFFFAOYSA-N 404.517 1.685 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1587862029 SIRGITDPOJDYRP-GFCCVEGCSA-N 409.434 1.023 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1587979363 POUKJXQBTGFOKR-YJBOKZPZSA-N 408.506 1.875 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1587990618 ZHNKSPCZCIBEAM-CVEARBPZSA-N 407.565 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCc1n[nH]c(C)n1 1588254468 WHUFQIBZKFVUOQ-UHFFFAOYSA-N 419.489 1.998 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NC(C)C 1588580967 BDFPKEHXIZKCRH-UHFFFAOYSA-N 421.505 1.946 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@H]1C 1588974832 CSNOIKRCPRHBAB-OAHLLOKOSA-N 420.583 1.620 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1589483564 OYFKGOARKUZXNR-SIFCLUCFSA-N 404.515 1.099 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1594992790 SLTGWEPJNNIILQ-UHFFFAOYSA-N 405.524 1.557 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1)C1CC1 1595021018 QJKOJOWYBFACRS-GXTWGEPZSA-N 417.626 1.892 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1595100728 SIETYCHPRTZQAN-OFNKIYASSA-N 422.533 1.913 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1595238995 CTTYWMGKRHCATB-FDDCHVKYSA-N 422.533 1.943 30 10 HDEE C=CCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1595393112 IGGQAADPEKFAIC-RBSFLKMASA-N 423.539 1.468 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595561931 HTJCVIALGOCLJQ-CZUORRHYSA-N 404.540 1.797 30 10 HDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595838197 NDXPLCIVJWBSKW-HNNXBMFYSA-N 420.583 1.638 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1596063706 GPSWRAWXBOXOEP-DNVCBOLYSA-N 400.462 1.379 30 10 HDEE CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1596813272 HECPNHKCABQTPO-AWEZNQCLSA-N 422.493 1.312 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@@H]2C)cs1 1612412404 OXIOUYRJEXVFDS-WMLDXEAASA-N 401.540 1.847 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCC(O)CC1 1612599091 BBKMGBDVJNLHFE-UHFFFAOYSA-N 410.526 1.027 30 10 HDEE CC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613085668 NFGMEZMXSQXALQ-SZNDQCEHSA-N 412.494 1.868 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCC(C#N)CC2)no1 1613879714 SKCDKRGCDFTPDT-YJBOKZPZSA-N 415.498 1.930 30 10 HDEE CCn1cnnc1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1615743285 UILAYIYCKWNHDL-HNNXBMFYSA-N 402.503 1.792 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)CCS2(=O)=O 1616810895 PLQNBNSUZQUNOP-BATSVXPKSA-N 418.515 1.733 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 1624565659 UEWOVQJDBMEEHJ-UHFFFAOYSA-N 417.281 1.690 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1624893869 LVYLGRGXMDCLKA-QGZVFWFLSA-N 412.421 1.354 30 10 HDEE C#CCn1cc(CNC(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)cn1 1626744272 BTYVZGKIEZHUSH-UHFFFAOYSA-N 424.505 1.898 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)c1 1628680543 MPLLYLBWQQVULR-CYBMUJFWSA-N 406.382 1.212 30 10 HDEE Cc1cccc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1629484938 GCRUSYYGSIWBJU-UHFFFAOYSA-N 413.499 1.916 30 10 HDEE CC(C)[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1632491224 QLOZIVNVTXDPGX-WZHMAMEKSA-N 404.511 1.756 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCN2C=O)CC1 1633103715 DSUQHBPSLBIEPE-IRXDYDNUSA-N 405.296 1.779 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nnc(O)o3)C2)cc1 1633715989 UTGZZQGWNPGIFZ-AWEZNQCLSA-N 404.448 1.872 30 10 HDEE C[C@@H](C#N)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1634093652 LWFDIMYFVMCXHJ-JTQLQIEISA-N 413.272 1.777 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCCO2)cn1 1634918204 BQOKIXZKBOYMTC-UGKGYDQZSA-N 422.489 1.398 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1635757732 KCVZWHIKBLNVJR-GOSISDBHSA-N 424.523 1.714 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 1636097179 YFBUYKWHYHXZSO-AWEZNQCLSA-N 423.963 1.905 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCSC2)C1 1638718062 QVLGNRUUDMDMQZ-GOSISDBHSA-N 409.533 1.240 30 10 HDEE Cn1ncc(I)c1C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1 1639135728 QATOBWRZDPIVDM-UHFFFAOYSA-N 419.186 1.934 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O 1640924718 SCRKPDPWKKXSLK-UHFFFAOYSA-N 415.446 1.368 30 10 HDEE C=CCCC[C@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OC 1641855941 WROBDHCOBUZQEI-INIZCTEOSA-N 401.467 1.392 30 10 HDEE Cc1ccc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 1643724351 DKKWDJQLXAGWNZ-UHFFFAOYSA-N 417.516 1.282 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1Cl 1644166695 FXJBUEXHBJYNRP-KRWDZBQOSA-N 424.954 1.735 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(CCCOCc4ccccc4)CC3)C2)c(=O)nc1O 1648028838 PMXXSFMTSNLEIM-UHFFFAOYSA-N 408.458 1.981 30 10 HDEE COC(=O)CCN(CCS(=O)(=O)c1ccc(C#N)cc1)CC(=O)OC(C)(C)C 1648151468 BNPJOQIYBHKHNY-UHFFFAOYSA-N 410.492 1.539 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(CC(=O)OC)C1 1649381132 BOUQPHOYOKWBEA-ZBCRRDGASA-N 421.519 1.742 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1CN1CCCC1=O)CC(=O)OC(C)(C)C 1654148938 PRRFTCBZQSGFIT-UHFFFAOYSA-N 413.518 1.702 30 10 HDEE N#Cc1ccc(N2CCN(c3nc(N)nc(C(F)(F)C(F)(F)F)n3)CC2)nc1 1655016276 IZYVGGMSDHQUFA-UHFFFAOYSA-N 400.315 1.701 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCO[C@@](C)(C#N)C2)ccc1Cl 1655733684 QQRWIOGWDGSEFQ-INIZCTEOSA-N 400.888 1.143 30 10 HDEE COC(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)co2)cc1 1656343112 HDRFQXABSYYXEQ-HNAYVOBHSA-N 401.444 1.498 30 10 HDEE C[C@H](O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1658970001 IDOSGZHKFBHONA-YRNRMSPPSA-N 416.522 1.438 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)NCCNc3ccc(C#N)cn3)c(Cl)cc21 1660712754 VXBDXGMKKKZQMF-UHFFFAOYSA-N 419.894 1.906 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OCC)cc1 1661908018 GPJSFJKMURTGPJ-QGZVFWFLSA-N 422.503 1.841 30 10 HDEE C#CCN(C(=O)Nc1cccc(-c2nnnn2C(C)C)c1)[C@H]1CCS(=O)(=O)C1 1663654501 AEUYFZSXYUKTGE-INIZCTEOSA-N 402.480 1.575 30 10 HDEE C=CCCCS(=O)(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1666033298 XCINATUBDOVTQS-AWEZNQCLSA-N 410.558 1.296 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1673936521 ZYZIKXHODSXIMV-UHFFFAOYSA-N 411.506 1.398 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 1676072815 NFQDROMWYHMZCT-CYBMUJFWSA-N 416.450 1.144 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1677308955 ILVSSDJHYDFJMD-MOPGFXCFSA-N 402.495 1.490 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1682226091 BYQIYTQMMDSLIU-FBVQUNGASA-N 416.503 1.067 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)nn1 1683560317 WMSNJQVERMERCZ-GOSISDBHSA-N 404.902 1.990 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CCOCC1 1684035532 JECUDVVYEHPIQH-HXUWFJFHSA-N 410.518 1.331 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1689826620 RHWZYYDMTJYIKV-OLZOCXBDSA-N 422.486 1.124 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689990093 LMGPQFNMRGZDGA-ZWKOTPCHSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1689997160 WWWUPMIBDIMGPD-QGZVFWFLSA-N 411.487 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1690049902 LWCCCRBOKHDWCQ-QHCPKHFHSA-N 407.518 1.407 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1C 1690095127 FOEKZTYICYKIDD-WFXMLNOXSA-N 406.527 1.689 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CC)c1 1690105133 UFUWFNJZGJFDNH-UHFFFAOYSA-N 418.505 1.867 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCOC2)CC1 1690125181 CNVOLQGOMQTYNR-NRFANRHFSA-N 417.460 1.054 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1690508490 JXLHXDYDCRRQNW-GOSISDBHSA-N 401.515 1.883 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1690527456 ONAPXNUXWWGWLL-HNNXBMFYSA-N 411.553 1.537 30 10 HDEE C=CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1690653062 AQBNCDMJKJELPZ-FQEVSTJZSA-N 415.498 1.091 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1691477517 UMJLNMZSUUZCQS-OAHLLOKOSA-N 411.510 1.679 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3C2)n1Cc1ccc(C#N)o1 1692774251 KNXCQTWTXRKNDS-CYBMUJFWSA-N 412.475 1.921 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1698060583 CXBSDVXJOJTQFX-CQSZACIVSA-N 424.552 1.360 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1705551427 NJAIYUNAZMPSHW-ZDUSSCGKSA-N 413.425 1.712 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](C)N(C)C 1705572901 SEOVNSCZOYQXKC-MRXNPFEDSA-N 412.925 1.884 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1705606582 YQRHZWLSPPOKCI-UHFFFAOYSA-N 419.489 1.654 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1705626366 SZNVGIGLIFDJCW-MRXNPFEDSA-N 418.519 1.474 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705638800 XFYPORMAYAJXHU-ZWKOTPCHSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccccc2F)CC1 1705638987 CYNOCFQXGUDRPA-KRWDZBQOSA-N 417.510 1.123 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1705734038 BCMNYAOCYYRIPU-UHFFFAOYSA-N 406.512 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705934135 BZWQWSVOBNDYOK-HLLBOEOZSA-N 418.523 1.197 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705935086 GXIWIECZWYKCIE-INIZCTEOSA-N 412.556 1.463 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1706682603 ARTDHAKWUAAYFA-ROUUACIJSA-N 410.478 1.793 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC(C)(C)O1 1708182258 GRVOEKPDTWAZIN-CQSZACIVSA-N 418.523 1.370 30 10 HDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1710805173 LOSCORPIRSUAOL-HKUYNNGSSA-N 424.505 1.870 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C)COC1 1711245154 QWWPUXHYUYSCBN-ZDUSSCGKSA-N 421.299 1.811 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CCO1 1711362783 FWUCRGGGODTVGL-YJBOKZPZSA-N 410.478 1.195 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1712454153 KFKKOITTYSTZPI-UWVAXJGDSA-N 405.499 1.487 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCn2ccnc2C1 1712455104 PNECFVOHWGDURZ-MRXNPFEDSA-N 407.482 1.561 30 10 HDEE CS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1712700662 NSCDPRXVZRNWQR-UHFFFAOYSA-N 420.495 1.180 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1722307813 AVMSEFJMOGSMDB-AEFFLSMTSA-N 423.583 1.945 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1722343836 KCOABOUTXXPCJG-JOCHJYFZSA-N 418.586 1.273 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1722366178 HEANAUAOGLBZIU-MSOLQXFVSA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722366816 SNXQLSARXCBELL-IAGOWNOFSA-N 404.540 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)NC 1722390856 WMGREUQBESLYGT-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCCCC2=O)CC1 1722443817 BLWFDVCCQVXIIJ-UHFFFAOYSA-N 414.554 1.770 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1722458878 VXTJIOAMVUBLQV-UHFFFAOYSA-N 405.568 1.891 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1722459327 HWGGGSITYSVSFL-GJZGRUSLSA-N 412.581 1.550 30 10 HDEE C#CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1722463582 GUEOPXFXSLDQAA-PMACEKPBSA-N 419.551 1.013 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722534642 UTHFQPOCFZHJSQ-QGZVFWFLSA-N 414.485 1.815 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722585108 SSWKFZQKXZQFTD-OAHLLOKOSA-N 410.931 1.728 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1)C1CC1 1722647433 VATGTGXVCFLTGF-DGCLKSJQSA-N 405.471 1.467 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1723645578 BAJIDIFAQJIRPR-UHFFFAOYSA-N 419.493 1.391 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)n1 1726056946 FPXAJMRYUSLACL-FXAWDEMLSA-N 416.505 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1740546242 WHOQRMPLPQQBDN-OAHLLOKOSA-N 420.564 1.177 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740616821 HPHDFDLGRDLVNM-SJORKVTESA-N 407.565 1.578 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740623240 QHDXYVCLTSYAMN-LSDHHAIUSA-N 418.548 1.115 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740625814 QHJYHUGCWBSFMM-QGZVFWFLSA-N 402.520 1.936 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1740671946 SGNRFYHDFMPZGG-INIZCTEOSA-N 411.572 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1740681838 DOHWRMQRAJHYNR-UHFFFAOYSA-N 401.492 1.337 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740955628 AKEIAWBBLVKCDO-AEFFLSMTSA-N 408.506 1.518 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740956530 UPAAWDAPRBHAPK-ROUUACIJSA-N 415.469 1.771 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(OCCN3CCCC3)CC2)nnc1C(C)(C)C 1740966362 YAMREPHDQDJDOM-UHFFFAOYSA-N 418.586 1.959 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1748123768 NTQCSIOSMVWCEZ-LBPRGKRZSA-N 413.507 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1ccnc1C 1748829714 HZZNJEPPEYPDAY-JOCHJYFZSA-N 410.522 1.987 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=C)Br)CC1 1748994659 LZDBBQIUKLRZBO-UHFFFAOYSA-N 407.316 1.064 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749187401 HLWDLYISMAXCMA-ZDUSSCGKSA-N 409.512 1.841 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccn(CC)c2=O)C1 1749693486 JSMHCUWNDUHZBS-QGZVFWFLSA-N 414.510 1.428 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@@H]2CCC[C@H]2N2CCCS2(=O)=O)C1 1749712131 FEPFTOJLEIEWRF-RCCFBDPRSA-N 423.583 1.826 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnccc1OC 1750006632 HUDDKLADLIZYEH-GOEBONIOSA-N 402.455 1.183 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 1752318902 LHJLFFOGMHRUJU-ZQIUZPCESA-N 423.477 1.419 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1760112556 JAGIYKHXBWAZOL-WFXMLNOXSA-N 419.595 1.838 30 10 HDEE C#CCCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159996 VQMXTPSGQHBJDP-NRFANRHFSA-N 403.527 1.824 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1760178432 NDRPJRMWSNWFDB-UHFFFAOYSA-N 413.869 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)nc1 1760207954 DAAFRCVKNKOJQR-UHFFFAOYSA-N 419.489 1.379 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760260737 AELGOKCUUCDLCN-FQEVSTJZSA-N 416.614 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2(N(C)C)CCC2)CC1 1760267806 BBUJASNUWROBTK-UHFFFAOYSA-N 421.549 1.790 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760278734 FNQAXLSZDSDVMT-GOSISDBHSA-N 415.567 1.346 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCS(C)(=O)=O 1760320069 RZVZCGHFLGEMPM-DOTOQJQBSA-N 407.540 1.746 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760415366 WPXNWDHGRGIVID-OAHLLOKOSA-N 411.572 1.872 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760428949 MDRHPXZWQIPXOE-IBGZPJMESA-N 416.570 1.915 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(COC)CC1 1760514516 HZPRNOKPWSJIKY-UHFFFAOYSA-N 413.482 1.090 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(F)cc(F)c1 1760526900 JCMLKXVANOBXOA-UHFFFAOYSA-N 418.448 1.617 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1 1760620589 OTLFFUQTBDSSCQ-FQEVSTJZSA-N 423.521 1.206 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1761188152 FMWDQBRDFPACLD-UHFFFAOYSA-N 416.551 1.782 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1765440476 FYPPPZVWYNOQOM-DAYGRLMNSA-N 410.519 1.106 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767886429 PJWNFFJBHJFDJY-AMGRQBIBSA-N 418.498 1.204 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1769658314 HULISINNXBZMEJ-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCO1 1769845322 LXLNDDRQTJWRMU-CVEARBPZSA-N 411.528 1.116 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)CC1=O 1849302476 DLZIGIPENJWLLZ-KGLIPLIRSA-N 423.311 1.891 30 10 HDEE N#Cc1ncc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)cn1 1850852612 ANGHOLRLLOGCNN-UHFFFAOYSA-N 403.446 1.084 30 10 HDEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)[C@@H]1CN2CCN1CC2 1851475528 SHXPMIDEEDCOFB-INIZCTEOSA-N 418.423 1.844 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2ncnc3ncccc23)CC1 1852627028 NAKOEJRKDNXWIT-UHFFFAOYSA-N 404.430 1.633 30 10 HDEE Cc1nn(CC(=O)NCCN2CCC(C#N)CC2)c(=O)n1-c1ccc(C(C)(C)C)cc1 1852835459 IKAHEPKWBFMPEO-UHFFFAOYSA-N 424.549 1.992 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(F)cc1 1852977026 ZYOSNRJTQRNNER-CYBMUJFWSA-N 415.494 1.932 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)c(F)cc1F 1853317460 FGXHVAPVPLAJQO-UHFFFAOYSA-N 419.453 1.997 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1853734388 DWDVHBXAVHHVGG-IBGZPJMESA-N 417.531 1.994 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3nn(-c4ccccc4)cc3OC)C(=O)C2)C1 1853741629 PBPAVSSPRIXJPW-SFHVURJKSA-N 409.490 1.426 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1853882603 VESRDHAIEMEADG-HUUCEWRRSA-N 403.483 1.177 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1=O 1854065483 QXPOTPPYKITXAJ-UHFFFAOYSA-N 409.773 1.632 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCN(CC(F)(F)F)CC3)C2=O)ccn1 1854110929 WJSZAFGIAUHEQP-INIZCTEOSA-N 409.412 1.654 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CC(=O)c1ccc2c(c1)OCO2 1854243102 DCLFZROGUQEXLH-ZDUSSCGKSA-N 406.398 1.238 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1=O 1854306508 QNYOAQLATABEKC-GJZGRUSLSA-N 408.499 1.721 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)[C@H]4CCOC4)C3=O)CC2)CC1 1854370700 MGVGMRNKYDUSGU-RBUKOAKNSA-N 416.522 1.015 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(S(=O)(=O)CCCC)c3ccccc32)CC1=O 1854791110 BUMOXSBLTSEQHW-HNNXBMFYSA-N 419.503 1.531 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCC(S(C)(=O)=O)CC3)C2=O)cc1C#N 1856550145 ZJIAZJNRMIXKCC-GOSISDBHSA-N 403.504 1.507 30 10 HDEE Cc1cc(C)cc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857042207 UBVHRILUIUSPIC-SFHVURJKSA-N 403.504 1.858 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCCO3)C2)CC1 1857249184 KNKQGEIXSUVVAB-HKUYNNGSSA-N 412.490 1.598 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccccc2OC)C1)[C@H]1CCN(C)C1=O 1857282137 RNTUGWCHYBECGN-IRXDYDNUSA-N 415.490 1.168 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)[C@@H]2CCCS2)C1)C1CN(c2nccnc2C#N)C1 1857417430 ACUFRMNJURNLMR-PBHICJAKSA-N 414.535 1.129 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc2c(c1)OCCO2 1862560753 IGTZWDFWBCZCDT-BUXKBTBVSA-N 410.426 1.999 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870558607 HQQSRMWHDDGGAW-ROUUACIJSA-N 401.507 1.482 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891300469 CVPLITCKYKSOBF-UHFFFAOYSA-N 400.460 1.683 30 10 HDEE CN(C(=O)c1cc(=O)c(OCc2ccccc2)co1)C1CN(c2nccnc2C#N)C1 1891871501 OMSSBFZJOYSNHY-UHFFFAOYSA-N 417.425 1.841 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1965778170 VYFMBHSNVWFRFF-KDOFPFPSSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985101096 NUFKUODVXWINDP-CYBMUJFWSA-N 411.308 1.306 30 10 HDEE N#CC1CN(S(=O)(=O)N2CCC23CCN(C(=O)OCc2ccccc2)CC3)C1 2054404674 WIWSACJUUFJFFY-UHFFFAOYSA-N 404.492 1.564 30 10 HDEE NCC#Cc1ccccc1NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2089788954 QBIVILAKCQLBNH-UHFFFAOYSA-N 411.483 1.815 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 2118169437 IKAJBRBRDRVKQM-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@@H]1CO 2122384544 FZYJJYIELQFKOX-DGCLKSJQSA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccc(C#N)cc1N)C(F)(F)F 2162583061 UQRKJLUKHVKJHP-LBPRGKRZSA-N 408.402 1.874 30 10 HDEE O=C(N[C@@H]1CC[C@@H](C(F)(F)F)N(CCS(=O)(=O)C(F)(F)F)C1)C(F)(F)F 2165187982 JFVYDASWIHTMTK-RQJHMYQMSA-N 424.285 1.995 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ncc(I)cn2)ccc1F 2189861558 VLZNQVYAPMPKQU-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC(F)(F)C[C@@H]2CC#N)CCS(=O)(=O)C1 2233992617 PYULGLQCZFUQPY-NHYWBVRUSA-N 407.439 1.218 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243370716 RCAUYEOAHLFGRW-CHWSQXEVSA-N 406.292 1.115 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(N)=O)Cc2ccccc2)n1 2247825800 JLXJCHFCJMPJQZ-UHFFFAOYSA-N 412.299 1.330 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828758 PMNVELFTKABNPK-ZLDLUXBVSA-N 418.303 1.447 30 10 HDEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248446346 YBRMIVFBAOVQLW-UHFFFAOYSA-N 418.303 1.842 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@@H]4C[C@H]43)cc2Cl)OC1(C)C 2267356833 OSEGFRLMSVUCQA-GHMZBOCLSA-N 405.734 1.863 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270531150 PLLAFLBBMJWLCE-QGZVFWFLSA-N 424.519 1.766 30 10 HDEE CC1(C)OB(c2ccc(NS(=O)(=O)C3CC4(C3)OCCO4)cc2F)OC1(C)C 2277953905 CETUSCYELCYTCC-UHFFFAOYSA-N 413.276 1.772 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282064340 YJFJMTCCCDFAKZ-NSHDSACASA-N 402.347 1.385 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC2(CO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282302122 UMYMHFZZZJIYSA-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE CN(Cc1nn[nH]n1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306337 LUCKZTVEKAGBTM-UHFFFAOYSA-N 419.725 1.035 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)N[C@H](C)C1 2282312229 SJIIUSPSYKGRPN-TXEJJXNPSA-N 400.375 1.727 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282316475 CTZYJESYLDYWBR-VWLOTQADSA-N 401.359 1.293 30 10 HDEE CNC[C@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332500 BTTYKUIVLYNZSQ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE COC(OC)[C@H](C)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334111 XJFMTZBUSKVCFH-NSHDSACASA-N 405.347 1.675 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H]3CCCO)c2)OC1(C)C 2282334482 BUSYSHVNFIDFJE-AWEZNQCLSA-N 401.359 1.973 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)C 2282346820 QRTCBHPXICBBFM-ZDUSSCGKSA-N 403.331 1.523 30 10 HDEE CN([C@H]1CCCNCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282349114 UTJZAXCPRFUJRW-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN(C)CC(C)(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494043 ZBQTUIXBSNUURX-UHFFFAOYSA-N 403.379 1.202 30 10 HDEE CN(C[C@H]1CCCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494322 YJFCBVSWWHPBGK-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](CO)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282497873 WAXMOIKNHUEYTE-ZDUSSCGKSA-N 403.375 1.959 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CCNC2)OC1(C)C 2282832353 NTWBHZXBAVHUQF-GFCCVEGCSA-N 400.737 1.527 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@H](C)CNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282835659 XRYOADNZHKVTNR-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE CO[C@@H]1COC[C@@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852373 OKFVMXIUYZDJAF-NWDGAFQWSA-N 403.331 1.082 30 10 HDEE CN(C[C@H](O)C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869980 KYDHTEHKZBWAQY-AWEZNQCLSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC/C=C\C(=O)O)c(Cl)c2)OC1(C)C 2284397118 ISTRSFPZGZHLMM-WAYWQWQTSA-N 401.677 1.558 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CC(=O)O)C3CC3)s2)OC1(C)C 2284416551 ZLUSNQXOGCFEKY-NSHDSACASA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@]3(C(=O)O)C[C@H](O)C3)c2Cl)OC1(C)C 2284460903 HYPKGVSPTDEYNA-QJGJFZNISA-N 401.677 1.409 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@H]2OCCC[C@@H]21 2288372445 YTHUIPCPEKHDCC-GOXNLZCHSA-N 402.513 1.727 30 10 HDEE COC[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C=CCN1C(=O)OC(C)(C)C 2299708217 XKSODCOJFPCVKA-NRFANRHFSA-N 420.315 1.930 30 10 HDEE CC(Cl)=CCn1c(NN=Cc2cccc(O)c2)nc2c1c(=O)n(C)c(=O)n2C 2327751644 DDCSJKFZDVSXIK-UHFFFAOYSA-N 402.842 1.728 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2342052595 DHWWWVNSNIYVSN-LQWHRVPQSA-N 420.531 1.365 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](C3OCCO3)C2)n1C 2362434298 ZMDKCPXSTWXBSB-CQSZACIVSA-N 405.304 1.253 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC12CC2 2365201615 AVSFDXAMNVIABW-LIRRHRJNSA-N 400.541 1.163 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 2365202107 MJMRWECJAYSILK-QMTMVMCOSA-N 404.573 1.845 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCOCCN1C(=O)OC(C)(C)C 2365202217 NEFSLPHPZBIACK-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365252690 FLAWPBVDARMFLL-KBPBESRZSA-N 403.497 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367807536 UNLAUWJEDUOEQS-HNNXBMFYSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367816619 IHAATFFAZXDPQY-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367825123 OJEYEOCUUADOED-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367847715 HIRCNGZUGOUMOH-DGCLKSJQSA-N 407.435 1.142 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)CO2 2368885139 KDVMQRDJWSDPSZ-YYHKSVKZSA-N 400.541 1.460 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCC[C@H]1NC(=O)OC(C)(C)C 2372721435 FECJTIMJJCLZKZ-HBUWYVDXSA-N 400.497 1.009 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2375226863 MKXRXZWNVQSBAD-KBXCAEBGSA-N 402.513 1.257 30 10 HDEE N#Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20915071 CWFKBWHLAQYDIS-UFFVCSGVSA-N 408.447 1.746 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3Cl)c2)CC1 32464386 XUISBJSZACJAFZ-UHFFFAOYSA-N 401.898 1.645 30 10 HDEE N#Cc1cc(NC(=O)CSc2c[nH]nn2)ccc1NC(=O)CSc1cn[nH]n1 35148241 BTHQDWGTLQVUNO-UHFFFAOYSA-N 415.464 1.256 30 10 HDEE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@](CO)(C(=O)O)N[C@H]3c2ccc(C#N)cc2)cc1 251991535 JHOHWYVOFBZDTJ-YWNPBTLJSA-N 419.437 1.386 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 301054535 AAMGSJIEPUHTOK-BAADHZCMSA-N 418.486 1.099 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c1 427991309 KGZUKSORJDNAQG-CMHOHELDSA-N 414.527 1.390 30 10 HDEE CCOCc1nc([C@H](C)NC(=O)N2CCN(c3snc(C)c3C#N)CC2)no1 462316214 XYBOUYQKGPCLDA-LBPRGKRZSA-N 405.484 1.836 30 10 HDEE N#CCN(CC#N)C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 463872785 QYDUFAPZUAQSCI-QMROVXIMSA-N 400.438 1.342 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ncccc2OCCCC#N)C1=O 466616776 GCHDNOVRTWVXSV-HNNXBMFYSA-N 411.466 1.810 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cc(C#N)cn3C)cc2)CC1 471605930 ORIJBFWBOMDNLQ-UHFFFAOYSA-N 423.517 1.412 30 10 HDEE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473560025 CETRLUKGIDMEQL-OAHLLOKOSA-N 403.870 1.379 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2)CC1 490252306 QHBRAOWXJYTDRQ-FQEVSTJZSA-N 418.501 1.236 30 10 HDEE CCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 492624593 DJEZPHOVMGRNPI-QGZVFWFLSA-N 401.511 1.084 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 500600720 JZCMUXOZICTLHY-UHFFFAOYSA-N 418.545 1.971 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503114509 FKSMNDPQTZAPLC-RBUKOAKNSA-N 411.506 1.749 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCS(=O)(=O)NCc1ccccc1 504092234 VKQKUEUCPUKZFQ-LJQANCHMSA-N 409.508 1.484 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 505698975 FNFHNJNQTMDOHS-DZGCQCFKSA-N 414.531 1.249 30 10 HDEE Cc1nc(SCC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c(C#N)c(C)c1C 506702357 ZAWIKRRBHXHGKS-HOCLYGCPSA-N 410.565 1.805 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@@H](CO)c2ccccc2)n1 513294755 UOCRKPKXMGISEW-HNNXBMFYSA-N 407.405 1.714 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)c1 513788062 KFEILSWYACFGHB-HXUWFJFHSA-N 413.455 1.808 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 530290784 SXFGCHHDTAJZGX-IIBYNOLFSA-N 418.494 1.934 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 532799723 RQJHSSMTCMFHFT-INIZCTEOSA-N 412.515 1.177 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1 538455007 ZQBJKTIQHNXHPW-UHFFFAOYSA-N 422.532 1.507 30 10 HDEE Cn1cc(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cc1C(N)=O 542982483 OFWQRQAEXBMHPC-UHFFFAOYSA-N 404.839 1.636 30 10 HDEE CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)CC1 543114647 WXZPLVPIEPRSQJ-AWEZNQCLSA-N 424.461 1.765 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cnc3c(Br)cccc3c2=O)nc1 561856805 VOPDNAZYKUAUOY-UHFFFAOYSA-N 419.260 1.900 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 570811107 NEGRTYVOSRZKSP-QGZVFWFLSA-N 405.524 1.824 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(Oc4ccncc4)C3)C2=O)cc1 609609942 CHRXGGPOCBMJHH-SFHVURJKSA-N 405.414 1.448 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@H]1CCCO1 610956967 GCZFIFSLEIGJSX-CQSZACIVSA-N 409.467 1.084 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2SCc2nc(C)no2)CC1 728533563 OETCFNAPKFOCPG-UHFFFAOYSA-N 413.503 1.178 30 10 HDEE C#CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@@H]1CCS(=O)(=O)C1 729332477 OUDYBUIPHULJMQ-IUODEOHRSA-N 412.920 1.792 30 10 HDEE C#CCN(C(=O)c1cc(Br)c2c(c1)OCO2)[C@@H]1CCS(=O)(=O)C1 729336039 ZPDKDPAMGHWXPL-LLVKDONJSA-N 400.250 1.440 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1F 730139523 QWXNMKXEUGKWQR-MRXNPFEDSA-N 410.515 1.780 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)S(=O)(=O)c1ccc(F)cc1 734291190 JOJOSFZCMLIDES-GFCCVEGCSA-N 410.448 1.673 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](O)C(F)(F)F 735830238 PRTZOZGQLKDJBB-JSGCOSHPSA-N 421.441 1.713 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)cc1 740732924 ZSBCDFZFRMXAJN-KRWDZBQOSA-N 400.504 1.663 30 10 HDEE CC(C)c1noc(CCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 742597541 DKWLGVFUBIXNFT-CYBMUJFWSA-N 419.507 1.759 30 10 HDEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccn1 746960073 UQLBZZXUTVFNDC-UHFFFAOYSA-N 415.349 1.874 30 10 HDEE COCCNS(=O)(=O)c1ccc(NC(=O)NCc2ccc(OC)c(C#N)c2)cc1 747311887 AUWDABGKCDPAFA-UHFFFAOYSA-N 418.475 1.813 30 10 HDEE CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 749653535 AVURCGZCDHTZEF-VLGSPTGOSA-N 412.446 1.497 30 10 HDEE C#CCN(CC#C)C(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 752154001 WONYAYNURYSCLJ-KRWDZBQOSA-N 424.526 1.640 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CC(=O)Nc2ccccc2F)CC1 755915382 LLPMFKUQIFCXIU-UHFFFAOYSA-N 417.466 1.105 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(C(=O)N3CCCC3)CC2)[C@H](C#N)C1 758772120 PNURREMQRBIQOV-IAGOWNOFSA-N 419.526 1.789 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cc1 762423215 GXLAKTDWHVOSFD-ZOBUZTSGSA-N 422.532 1.230 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 765077296 QBIVPSXPKMXILD-UHFFFAOYSA-N 416.555 1.110 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 767703036 JIEICYROWHPUGU-HNNXBMFYSA-N 412.483 1.804 30 10 HDEE CCOC(=O)N1CCN(C(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780176929 QTYZDJJDZNNODF-IBGZPJMESA-N 411.455 1.092 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 780895290 YLVHXVZFAWSBDJ-NRFANRHFSA-N 410.449 1.586 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)[C@@H](C)O)nnc12 782033425 NLNKKYNVYGSFEM-GFCCVEGCSA-N 401.492 1.598 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784019851 WHADJCLWLKVABG-IBGZPJMESA-N 401.423 1.997 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)n1 788695530 RVBLFILIJMRGLU-UHFFFAOYSA-N 418.475 1.281 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cncn1C 796088249 RNEAFHONEIBWOO-IIDMSEBBSA-N 403.483 1.414 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)cc1 796695244 BHHSMHZBAXXRND-UHFFFAOYSA-N 421.381 1.523 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)cc1C#N 796946838 CCHVGZJHCASZLF-UHFFFAOYSA-N 412.377 1.917 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 811135867 MORSMLDHRQJEDU-CYBMUJFWSA-N 411.455 1.169 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N 813682385 YTODJCZNKWHFQC-CZUORRHYSA-N 410.496 1.564 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)n1 813699624 XUVUOUWXQVSQAW-UHFFFAOYSA-N 423.466 1.588 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H](C)F)cn1 814710790 RPNFDKDSVLKCTQ-ZFWWWQNUSA-N 412.535 1.651 30 10 HDEE Nn1c(NN=Cc2ccco2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1083930323 BBHKJZATPSQRJV-UHFFFAOYSA-N 402.396 1.670 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1=O 1139684880 UVHXDGLVKKXOQN-WWMYMODYSA-N 424.542 1.568 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C#N)C1 1143955786 LRCPOORJILBBJU-QZTJIDSGSA-N 402.495 1.763 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CNC(=O)c1ccc(C#N)cc1 1148020531 HFINVIFDZGRVAO-INIZCTEOSA-N 415.475 1.100 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](CC)c2cccc(C(F)(F)F)c2)CC1 1152968118 ZNCNZWOSUWJLKQ-MRXNPFEDSA-N 417.453 1.811 30 10 HDEE CN1C[C@H](CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1155629126 LTMOLRRTGWISGH-OAHLLOKOSA-N 420.535 1.270 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1167952501 NASFDCGIGLSXHG-WBVHZDCISA-N 406.504 1.100 30 10 HDEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)N(CCC#N)Cc1cccnc1 1184844760 BJMOBRJBXKXRJD-UHFFFAOYSA-N 402.476 1.897 30 10 HDEE C#CCN(C(=O)NCCCN(C)CCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1221049948 JSHBUNDLZFRQOW-UHFFFAOYSA-N 410.559 1.999 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 1235544247 JYNWIAMQPSZQKC-UHFFFAOYSA-N 419.906 1.870 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1286360942 KWGOTCMYHHJCEK-LBPRGKRZSA-N 411.528 1.867 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1286376150 GKJWRVCGHCAGES-QGZVFWFLSA-N 403.508 1.037 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCC)C1 1286495709 CRSFWBRRZKHAPU-HUUCEWRRSA-N 415.585 1.260 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1286546998 MCPHDTOEIHWGIC-JQHSSLGASA-N 416.526 1.906 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(C)=O)CC1 1286555584 KXFPDMNEJCWDPV-SCTDSRPQSA-N 403.527 1.868 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286608235 NUCXVRPOMKETMG-LJQANCHMSA-N 423.521 1.968 30 10 HDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286676142 WPWJHIRITROCNU-QGZVFWFLSA-N 412.542 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC[C@H]1C 1286822444 KJYPDFMCDPACLT-CYBMUJFWSA-N 411.553 1.460 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)CC1CC1 1288524488 DBLMBDDLOLNSTD-OAHLLOKOSA-N 402.524 1.827 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3c[nH]nc3I)CC2)cc1 1290047450 XRISLHAIFOSOTB-UHFFFAOYSA-N 421.242 1.844 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cs1 1290418170 QXBRZYOYNFZTNM-MSOLQXFVSA-N 403.487 1.554 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 1294722522 LZMJFTSFJHPPQT-ZDUSSCGKSA-N 409.273 1.931 30 10 HDEE COC[C@]1(C(=O)N2CCN(C(=O)CC#N)CC2)CCCCN1C(=O)OC(C)(C)C 1294724079 YENQDXZRVMWVBK-FQEVSTJZSA-N 408.499 1.377 30 10 HDEE C=CCOC[C@H](NC(=O)c1nnn(-c2ccccc2Br)c1C)C(=O)OC 1297030307 UTLSZWGJTLUWHE-ZDUSSCGKSA-N 423.267 1.812 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@@H](c1ccccc1)c1nc[nH]n1 1299112388 AOJXNZPVGKLLFX-KSSFIOAISA-N 424.486 1.591 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NCC)CC1 1300401675 VUUYBCUFVQUHIQ-UHFFFAOYSA-N 410.522 1.625 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1300475467 KLYVVFXQHQZEEU-UHFFFAOYSA-N 407.471 1.101 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504689 QOPBJWPGTBXANF-CGTJXYLNSA-N 421.567 1.239 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NCC 1300522609 JZPSSBAGHOWGLG-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(-n2cncn2)c1 1300536294 UJXLAURBRGSALB-IBGZPJMESA-N 401.474 1.874 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1300733696 MDEGMBOQRZBWMR-GFCCVEGCSA-N 421.539 1.736 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1301371879 UWSNDUPLWMDWRF-KRWDZBQOSA-N 411.510 1.825 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301500541 NKCROTDNPSICSI-BIZBXSGISA-N 419.526 1.247 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1301610427 YMAGSJNPJGCFBZ-MRXNPFEDSA-N 406.556 1.501 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1301966909 ZWQGHLCIRDUULV-CYBMUJFWSA-N 415.498 1.906 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1303544645 TUWUPGFTGWICOT-DNVCBOLYSA-N 400.504 1.859 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 1303559237 XIDRHJRAZKMNKE-MRXNPFEDSA-N 413.337 1.578 30 10 HDEE Cc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304821103 ZPLGDVFFURXMID-VRTBNJGNSA-N 400.483 1.366 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCc4sc(S(N)(=O)=O)cc4C3)C2=O)cc1 1307944786 FNZSAJCURQMDMD-HNNXBMFYSA-N 402.501 1.431 30 10 HDEE CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C[C@H](O)CC1(C#N)CCOCC1 1308071006 PKWXBXJSMQBQHQ-UONOGXRCSA-N 401.433 1.906 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CC1 1309374975 AZHDIIDWSGJJIB-AWEZNQCLSA-N 412.309 1.946 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([S@@](C)(=N)=O)CC2)cc1 1310131051 KQNUBXOXCICKNQ-AREMUKBSSA-N 415.541 1.234 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCC3(N4CCOCC4)CCOCC3)CCO2)cc1 1312839040 YPLBDUDFVGUKBL-HXUWFJFHSA-N 414.506 1.523 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCN1S(C)(=O)=O 1313106773 BUCSNRZPZPKPHZ-OAHLLOKOSA-N 405.524 1.202 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccsc1 1314871198 FEKIFQHYAXICNI-UHFFFAOYSA-N 416.532 1.912 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C#N)o1 1314885820 GHVSSYUOMOYDKE-UHFFFAOYSA-N 420.882 1.987 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1315558871 KTKUZVPNSJPPLT-SQGPQFPESA-N 401.442 1.936 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1316528763 ZIRRDVXQABOBKH-MEBBXXQBSA-N 422.358 1.588 30 10 HDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCC(F)(F)[C@H](CO)C1 1324370817 OAPCBINCEBXUNI-ZETCQYMHSA-N 407.286 1.922 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CCN2CCC(C(N)=O)CC2)cc1 1357633714 AQBXYCWYQXRKFG-HXUWFJFHSA-N 400.523 1.836 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1358872103 OPAICDUKJVKVII-LSDHHAIUSA-N 409.556 1.553 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1358900637 OZGSYDHQDSJYJY-IEZWGBDMSA-N 422.493 1.484 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1358931053 NBLHPAQZKXQVLS-UHFFFAOYSA-N 419.526 1.893 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(=O)NCC)CCC1 1358940419 XCOOBHWXTHLUNP-OAQYLSRUSA-N 403.527 1.695 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCC[C@@H]1NC(=O)NC1=O 1358972145 VTGGYZCXFXSMNP-INIZCTEOSA-N 410.865 1.660 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1359253177 VQRLEQGHNDYCDQ-MRXNPFEDSA-N 404.540 1.729 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1 1359266818 MRXGTVCMOWCIBH-HNNXBMFYSA-N 424.571 1.325 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359299220 YWSPNQYTFHTYIB-KBPBESRZSA-N 416.482 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359331539 BXGINNFYXGPJJJ-KSZLIROESA-N 423.583 1.446 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1359467137 NKAGADDYHLTKRB-UWJYYQICSA-N 421.542 1.846 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1360954913 DTERWHRNQPZREL-CVEARBPZSA-N 415.462 1.891 30 10 HDEE N#Cc1c(CCCNC(=O)COCc2ccnc(O)c2)nn(-c2ccc(F)cc2)c1N 1441232821 APCZEMMSDCSVGM-UHFFFAOYSA-N 424.436 1.831 30 10 HDEE CCN(CC)CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1448589611 OAFYOIOFVVTRLY-HOTGVXAUSA-N 406.914 1.774 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1cccc(Cl)c1 1452938422 YBYOZWWUYJOKGD-UHFFFAOYSA-N 414.911 1.812 30 10 HDEE COc1cc(N)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(C)(=O)=O 1452947391 RBXDVJCOSJAJAZ-MRXNPFEDSA-N 403.460 1.358 30 10 HDEE C[C@H](CC(=O)NC[C@H]1CCCN1CC(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1453477353 GIXDCVKJICNSPP-CHWSQXEVSA-N 414.478 1.349 30 10 HDEE CCN1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)CC1 1455087202 VFTSEVXACQOAAV-UHFFFAOYSA-N 414.441 1.130 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(C)nc1Br 1455350134 NUYGYRIFJZAQGF-VIFPVBQESA-N 412.269 1.360 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)c2)cc1 1456176501 SOQPOYMGOYMWCG-SFHVURJKSA-N 412.471 1.112 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1458006666 SZASICOCKSFTKI-LSDHHAIUSA-N 416.544 1.361 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 1464557224 PGGGGKAZDNTDEX-UHFFFAOYSA-N 414.293 1.193 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H](n3cccn3)C(F)(F)F)CC2)c1C#N 1470916446 BQSBXBMZXVAWRR-CQSZACIVSA-N 410.404 1.432 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1473587380 LBNHDQRIYRELEC-GOSISDBHSA-N 403.548 1.823 30 10 HDEE C=CCN(C(=O)Nc1ccc(OC)cc1S(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1476615409 YKSFJYSOWCYQPG-GFCCVEGCSA-N 402.494 1.306 30 10 HDEE C#CCN(C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)C1CCN(C)CC1 1477378236 UHJBYRNSDQUMQA-QGZVFWFLSA-N 401.433 1.299 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2ccc(F)cc2F)on1)[C@H]1CCS(=O)(=O)C1 1479207052 ONKUXSDNGMQYQM-AWEZNQCLSA-N 409.414 1.952 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479377853 KHMAUTQPYXYDRL-INIZCTEOSA-N 422.526 1.183 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C)n(C)c2=O)n1 1492731835 DKVJSIQNVRXIKP-MRXNPFEDSA-N 408.510 1.934 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1503807866 AAPOSYVELHXYIR-KRWDZBQOSA-N 404.478 1.680 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C1 1505100679 AMNCOXPUTXZWTL-VQTJNVASSA-N 410.522 1.889 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507576909 XTUBPORZQLJNAF-SJORKVTESA-N 422.599 1.612 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633810 IKHOUOFTXXBVQV-MOPGFXCFSA-N 415.563 1.770 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCO[C@H](C)C1 1507659826 GITFHHVLZFGYQF-SQNIBIBYSA-N 421.567 1.556 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507698994 XRUVMGWHWMUIFL-HNNXBMFYSA-N 403.449 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)C2CC2)CC1 1507739049 LKGIMVHWHDFSEG-VGOFRKELSA-N 415.538 1.299 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1507880768 NHZPSCMZBSHXOQ-DENIHFKCSA-N 419.570 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508129806 FJBMCGAVZSGRCA-IAGOWNOFSA-N 409.556 1.436 30 10 HDEE CCOCc1nnc(N(C)CC(F)(F)F)n1CCN/C(O)=C1\N=CC=CC1=O 1516457635 MALPWMNTGMLTPD-BUHFOSPRSA-N 402.377 1.340 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1517399095 YIAXWMZVFRLXCK-INIZCTEOSA-N 414.491 1.810 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1518647432 KTYCXCMBIVQQMK-XKGFGPFHSA-N 421.542 1.966 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1518744638 CDMLNUJLSCJRTC-WBVHZDCISA-N 400.458 1.893 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCOC[C@H]1C 1519409686 ODYANYGQCWKYAL-BDXSIMOUSA-N 406.531 1.319 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1519636140 FCWNNBOTGJZNQH-AAZYKMFZSA-N 415.519 1.438 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C(=O)OC 1531945780 SIEDOLQYJKUBOK-ZBFHGGJFSA-N 411.524 1.683 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1531949818 FLMCRBZQLBKRRI-YSGRDPCXSA-N 403.438 1.969 30 10 HDEE C[C@]12CN(C(=O)COc3cccc(Br)c3C#N)C[C@H]1CS(=O)(=O)C2 1538927961 PYFGSAVQEUPPCR-MEDUHNTESA-N 413.293 1.593 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1538970223 BAJSREJPIGMIMW-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F 1539038217 MPVHPLJJHLNCCY-OBJOEFQTSA-N 403.405 1.139 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccc(C)c1 1539200244 DCQXSWNFFYSLFJ-OALUTQOASA-N 411.506 1.810 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1539216439 RTNMYEZJYIVEKM-YLJYHZDGSA-N 415.519 1.536 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1539225860 QYOLPFJEYAFCML-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1539267256 YEFMVRUOIKSAIL-GOSISDBHSA-N 414.535 1.157 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C 1539417202 YWHLYGSLAJEKOJ-GOSISDBHSA-N 402.520 1.623 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2ccnn2)CC1 1539438297 VFCAIFRQXIPXAC-UHFFFAOYSA-N 421.465 1.290 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOC(F)(F)F)CC1 1539452949 ACJQHZAOLBZFOC-UHFFFAOYSA-N 408.428 1.946 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1539637929 VEBNDDDITGQPKQ-QRFRQXIXSA-N 410.522 1.960 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(C)C 1540070941 BONIBCDXHUSNNN-OAHLLOKOSA-N 401.533 1.048 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C1 1540896870 VMQZNOMLHOBXTN-CHWSQXEVSA-N 403.405 1.589 30 10 HDEE CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1541690439 CVKZIDHYZXNQAK-UHFFFAOYSA-N 423.521 1.823 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1541699337 QITGKYUSYWCKFV-HZPDHXFCSA-N 410.434 1.455 30 10 HDEE C#CCN(CC(=O)N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1)C(=O)OC(C)(C)C 1542741170 CJEUKRMPTIGANW-OALUTQOASA-N 406.571 1.874 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1546579049 DSODQWKMHGGGEI-UZLBHIALSA-N 412.519 1.400 30 10 HDEE COC[C@H](Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1555254491 XHDZFBBLWNWCQN-INIZCTEOSA-N 421.461 1.536 30 10 HDEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCN(O)C1=O 1556750860 YDCBZXHGNWMCAZ-UONOGXRCSA-N 407.471 1.483 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 1557614098 DUJCMLWRPSAEIE-HXUWFJFHSA-N 421.519 1.727 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2[nH]nc(OC)c2Br)c1 1558037970 QDCKVRFVEDPKPE-UHFFFAOYSA-N 415.269 1.897 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1[nH]c3ccccc3c1C#N)CCS2(=O)=O 1558718064 ZABDVYGEGLDJEJ-DAIAYTDJSA-N 415.471 1.668 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(C)cc(C)nc2OC)cc1 1585650856 MCPHCGPVPISZLY-UHFFFAOYSA-N 401.488 1.891 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1586386076 LPTXXKPMKVKNQU-LBPRGKRZSA-N 408.398 1.408 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(CCC#N)CC2)(n2cccn2)CC1 1587541345 CGNJLPNYQQEUQV-UHFFFAOYSA-N 416.526 1.667 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1587550304 GNVJUSYMJFTZAR-DYESRHJHSA-N 402.495 1.660 30 10 HDEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587723441 JKADMTHATKZIRO-UHFFFAOYSA-N 422.942 1.879 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588064538 JYOWBDCPINMNQK-NXHRZFHOSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cnnn1 1588205052 BFAKPSZYSOMAQM-UHFFFAOYSA-N 420.477 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1588224041 NNVYOEXUJCGWIE-GOSISDBHSA-N 404.536 1.807 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1589047637 DEKVCWLOXVPRJI-UHFFFAOYSA-N 401.540 1.398 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1 1589482243 ICPONUXHZSQDDD-DLBZAZTESA-N 401.515 1.767 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1593636710 QLOFOOGIIPUZRR-MGPQQGTHSA-N 404.558 1.014 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1595715274 UPYUPDGOUQMPKO-ROUUACIJSA-N 418.542 1.123 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1596186153 JZVAYNYJBFBAIT-HNNXBMFYSA-N 422.356 1.306 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCn1cc([C@@H]2CCOC2)cn1 1596783998 XLQBDRCEBPGUBF-JKSUJKDBSA-N 414.514 1.413 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC#N 1610269627 DEIXCJNTQQMVCK-OAHLLOKOSA-N 415.523 1.883 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(C#N)o1 1611717839 XGHBVOWPGHCNCF-LBPRGKRZSA-N 424.552 1.733 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)no1 1611949019 FMDMSIRETMZXBD-KRWDZBQOSA-N 412.475 1.785 30 10 HDEE C[C@@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1612816302 GEHOSUQCTSUQHB-IAGOWNOFSA-N 407.522 1.968 30 10 HDEE CCOC(=O)C1=C(Cn2ccc(C#N)cc2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 1614711803 DLFNAKXSHVOQIG-LJQANCHMSA-N 408.414 1.600 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1 1616198368 CZZCKCGKMOCEJN-GOSISDBHSA-N 424.544 1.803 30 10 HDEE O=C(Cc1noc2ccc(Br)cc12)NCCN/C(O)=C1\N=CC=CC1=O 1616348392 YXNKFBFITFYTLZ-WUKNDPDISA-N 419.235 1.775 30 10 HDEE CCOCc1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1/N=CC=CC1=O 1616720958 NPNRPDUFKBJCDX-ZCXUNETKSA-N 400.483 1.862 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(C)(C)C 1616848269 BGFAJSYISLNQRX-UHFFFAOYSA-N 421.563 1.895 30 10 HDEE CO[C@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCS(=O)(=O)C1 1616868791 DHGQWZYXHDGMDN-HNNXBMFYSA-N 401.282 1.183 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1618453310 PKVFPJTUERRKHE-SJORKVTESA-N 422.526 1.813 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)n1 1622097080 MNRONMJHRPLFJQ-AREMUKBSSA-N 409.537 1.587 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 1623722390 VTCCDZAODXHCPR-UHFFFAOYSA-N 414.530 1.880 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3cncn3)cc2)s1 1623980813 IWLBJGSAQWMUOE-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE CCn1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1=O 1625669246 HHGPYDMMIQMQTN-UHFFFAOYSA-N 415.475 1.278 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 1626627601 LGNAMGGLSJHFMG-UHFFFAOYSA-N 422.514 1.252 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1626966878 UWZRSQJAPCOTGW-ZWKOTPCHSA-N 420.554 1.354 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN(CCO)C(C)C)CC2)cc1 1627216496 CYZBRQXCDYRXPL-UHFFFAOYSA-N 423.579 1.706 30 10 HDEE C#CCCN1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1627318084 ABTUWKKQRWXYRQ-UHFFFAOYSA-N 401.223 1.794 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CO)Cc3ccccc32)s1 1628231997 BBXOQGNBUVRCHD-AWEZNQCLSA-N 406.529 1.953 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1628699108 BCWPBTCWCNDEMQ-AWEZNQCLSA-N 412.309 1.266 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628820219 NAMNKNFBPVBDNB-ICSRJNTNSA-N 421.563 1.005 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2c[nH]c3cc(OC)cc(OC)c3c2=O)c1 1630655376 HFCBRYBFZLKQRV-UHFFFAOYSA-N 405.410 1.895 30 10 HDEE COC(=O)CCN1CCN(C(=O)COc2cccc(Br)c2C#N)C[C@@H]1C 1632920263 BVXLVYMNIYRQLB-ZDUSSCGKSA-N 424.295 1.795 30 10 HDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1F 1633090756 QLJXYBZMDDFMGB-PVAXWEITSA-N 405.382 1.621 30 10 HDEE COC(COCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)OC 1633157513 FFTIFBBSWPQMOG-RDYUPDBUSA-N 411.499 1.525 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)ncn3-c2cccc(C)c2)CC1 1635993718 RFEAEVVIDPZPRP-UHFFFAOYSA-N 415.497 1.841 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(c2ccc(OC)cc2)CCC1)c1cc[nH]n1 1637040101 JWQHBWPDOAZYPQ-UHFFFAOYSA-N 414.462 1.940 30 10 HDEE COc1cc(I)c(C(=O)N2CC[C@](O)(CC#N)C2)cc1OC 1638967513 BLPAZBWVBNKYQS-OAHLLOKOSA-N 416.215 1.799 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCC2)cc1 1639189697 LQHVXRNFQCMRDY-RDJZCZTQSA-N 401.488 1.089 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCOC1 1640750547 BUBTWGZTADVKDP-AEFFLSMTSA-N 401.463 1.655 30 10 HDEE C[C@H](c1ccccc1)[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1642163177 HYYMXRXCEZRSKJ-BEFAXECRSA-N 401.488 1.773 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCOc3ncccn3)C2=O)cc1 1643965795 NIMZXXMBCYEZKQ-MRXNPFEDSA-N 408.418 1.139 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(-c4ccc(C=O)o4)ccc3O)C[C@H]1CS(=O)(=O)C2 1645269844 HGAQPDGRSDRXOR-DJJJIMSYSA-N 400.412 1.475 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(O)(CN2CCCCC2)CC1 1655855887 OWBMMHZVWAQJAP-UHFFFAOYSA-N 422.533 1.995 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1 1658320236 IADSMJFSMCSVKD-INIZCTEOSA-N 420.535 1.969 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1cc2oc(=O)[nH]c2cc1F 1661318163 BPCBQXOSJZTSJY-UHFFFAOYSA-N 418.450 1.884 30 10 HDEE N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)n1 1662953978 CYRHTOQCSGEYOA-UHFFFAOYSA-N 411.447 1.368 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)C(=O)OCC 1664950497 CASLBHDPKGUBDX-LLVKDONJSA-N 404.897 1.953 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCN(C(=O)OC(C)(C)C)CC1 1668536109 FOPXUEGRWOKZKU-OALUTQOASA-N 420.554 1.894 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1 1672951579 AFXGUAHBGHYVPY-ROUUACIJSA-N 403.479 1.868 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1677073409 QDNDYFVQUVIKHV-HNNXBMFYSA-N 423.535 1.984 30 10 HDEE C#C[C@H](NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1)C1CCOCC1 1682047535 OWCKGPJGMYRUHA-SFHVURJKSA-N 422.526 1.231 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1682263227 LPVPNQKNSDYSKC-MRXNPFEDSA-N 404.486 1.136 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)C(OC)OC)CC1)c1ccc(Br)cc1 1682361268 AFJHMFZEJNCCCL-OAHLLOKOSA-N 424.295 1.596 30 10 HDEE C=C[C@@H]1CCCCN1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1683172703 FPXXCNXIEQHDAT-OAHLLOKOSA-N 407.492 1.581 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683735393 HTZARPRWJPYYJH-HZPDHXFCSA-N 410.515 1.993 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1)C1CCOCC1 1684034241 AFCNPQDAWGUBMD-OALUTQOASA-N 406.504 1.601 30 10 HDEE C#CCN(C(=O)NC[C@H](C)N1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1685737481 MIFAUIQRKGKDGB-SFHVURJKSA-N 421.586 1.667 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1689839907 OXBXSAGABZRSOM-CYBMUJFWSA-N 408.915 1.487 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1689943696 ZUSMEGXWCQHCJG-MRXNPFEDSA-N 415.498 1.395 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1690020008 WPGAHYIOPQALNF-CVEARBPZSA-N 406.577 1.785 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1690080259 LRNDNOAQMRPGCA-UHFFFAOYSA-N 409.582 1.997 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2CC)CC1 1690154249 LSINRYIJSWZRLI-RBUKOAKNSA-N 414.554 1.580 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nncn1-c1ccccc1 1690619979 LEOOTBXQIBRWMC-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 1690625895 CVOUGVZAUSSBCO-GOSISDBHSA-N 406.575 1.794 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1690720515 LBMRNPRMGHAXRE-QGZVFWFLSA-N 412.475 1.146 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690725007 BGWHDMNJJWXOTA-MRXNPFEDSA-N 423.583 1.572 30 10 HDEE CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1696430909 WYAGZPZDDRZBQC-UHFFFAOYSA-N 423.525 1.560 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705522799 MLLYRJWTNMOEBV-XWSJACJDSA-N 415.538 1.768 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1705531556 NSZDSAJQSSCPTO-OAHLLOKOSA-N 419.489 1.307 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705557210 ZNEVJWLZUHQLJO-KRWDZBQOSA-N 402.520 1.978 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705569410 CLKLYFCKHNJIQJ-KRWDZBQOSA-N 407.584 1.589 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705569844 HKYUCZZIGSUJKZ-ROUUACIJSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCN(C)C1 1705575273 DYDXWMKDOHGMKD-JOCHJYFZSA-N 409.490 1.102 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nccs1 1705582532 CRZNIMKWKYUFTP-OAHLLOKOSA-N 403.533 1.342 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1C1CC1 1705628066 WYSSBGMJBWFABE-ROUUACIJSA-N 400.527 1.332 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)OC)CC1 1705647371 CWPQKMJRHKTGNY-QGZVFWFLSA-N 403.527 1.563 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1705764093 NPMVWBMGNVDHQJ-OAQYLSRUSA-N 412.494 1.629 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1705791669 BBZGABGSLCIUNM-KRWDZBQOSA-N 404.559 1.642 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1705880140 WOSWTNSIURNMCD-UHFFFAOYSA-N 400.483 1.317 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)nnc1C(C)(C)C 1705908336 NXIJQPNZLMWKNV-CVEARBPZSA-N 420.558 1.245 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(N)=O)C1 1705912356 HNWKBVVQLCADRL-ZHRRBRCNSA-N 424.505 1.544 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1709034959 CGOUVYPFMHZDMW-ZZEZOPTASA-N 423.477 1.102 30 10 HDEE CO[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1711510011 AVZUWZNNCJKRHP-JKSUJKDBSA-N 419.493 1.752 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1712887277 ALCASWDFRPJXHM-IRXDYDNUSA-N 407.540 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1722291525 FFKKPZIGQOWGPI-CYBMUJFWSA-N 403.446 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1722291527 FFKKPZIGQOWGPI-ZDUSSCGKSA-N 403.446 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1722379011 DPTORDPTVDVVFH-IBGZPJMESA-N 407.499 1.857 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCc2nnc(C)s2)CC1 1722437548 FNDMTSVAMPXBDS-UHFFFAOYSA-N 409.523 1.283 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2C)CC1 1722441943 XBZWIGPBELLCFL-UHFFFAOYSA-N 422.533 1.739 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccs1 1722699114 RLMXEXWTFLYNFL-ZDUSSCGKSA-N 409.537 1.180 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722743704 HLFPFMQJAOVWOG-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C1 1724009787 FUHDQXAKVIWEFC-LZQZEXGQSA-N 423.539 1.116 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCCCO 1726406773 UMYOYOFMFKWWCP-CQSZACIVSA-N 402.528 1.079 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOCCOC 1727608262 VWYMQQODSOYPGF-INIZCTEOSA-N 414.514 1.270 30 10 HDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729158193 VYGVVJJWOSEKLF-ROUUACIJSA-N 410.478 1.715 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)CC 1740557878 ATPNBJGQKKNYDP-OAHLLOKOSA-N 406.508 1.758 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N(C)CC 1740634284 BZPYKPRYSMTIMF-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1740666066 BFSWEOONMOHFCH-JOCHJYFZSA-N 413.522 1.879 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1740687086 ZPZKRWGGQKWXEK-INIZCTEOSA-N 410.540 1.083 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCOC)CC1 1740705102 ASNSRRLCZXEPDB-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740792518 YVLUQUSDTCGBBT-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740847558 LVYICSNAWUTDSP-HNNXBMFYSA-N 419.555 1.808 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740961251 QRQPYEQGCBTETC-LJQANCHMSA-N 417.602 1.384 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccccn2)CC1 1740985056 AUXJIYAUIWYTIV-UHFFFAOYSA-N 404.540 1.724 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1748319096 CMHODQNTDMITEB-UHFFFAOYSA-N 410.478 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1748639691 KSINLLLXQUIRGQ-GJZGRUSLSA-N 416.551 1.668 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1748641321 FJVJOXNZQYSETC-NNMXDRDESA-N 418.586 1.414 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1748840824 LQKISQQNQIVVCL-ROUUACIJSA-N 420.496 1.692 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1749010176 OSBSZFICMMJNGY-BHIYHBOVSA-N 415.538 1.299 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(OCC(N)=O)CC1 1749135675 HMOVWSNGHPQFBI-OXQOHEQNSA-N 403.527 1.683 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749367190 RNHMYUZKEILCRY-HOTGVXAUSA-N 411.572 1.902 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749420767 BRWOHVOGNOSVNL-HNNXBMFYSA-N 410.486 1.177 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1 1749499084 ABTIDWAMFVTRCN-UHFFFAOYSA-N 423.564 1.859 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1750087558 AVBARYLIBLXVKR-KBPBESRZSA-N 403.508 1.599 30 10 HDEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750515537 PEZFUUNQBRZJGB-HOTGVXAUSA-N 401.515 1.221 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1760236092 IIKUETRFZIRVMQ-INIZCTEOSA-N 402.520 1.772 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1760274002 FFEJKJXBWFXQPI-ZIAGYGMSSA-N 417.626 1.587 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1760692141 ZAHKAPQPIDKUEA-AWEZNQCLSA-N 417.539 1.650 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CCCO2)CCOC1 1761292211 WFELBRFDCKPVJS-PWIZWCRZSA-N 405.499 1.617 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3Cc3cnn(C)c3)CC2)c1C#N 1762399746 AQQIFRVITQWSLI-UHFFFAOYSA-N 408.514 1.424 30 10 HDEE CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1766603951 YTGFCVMSIGKFQN-QGZVFWFLSA-N 414.514 1.406 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1767439603 NGIZAVZYFOOCAE-OALUTQOASA-N 400.414 1.885 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCC(=O)N1CCOCC1 1770385818 CCIITEDGSGLTDT-INIZCTEOSA-N 412.494 1.941 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN2CCCO)C1 1771529071 IBUGRALLKNSFPT-SQGPQFPESA-N 406.506 1.808 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccnc(C#N)c3)CC2)cc1 1851167319 GKWDTHIADQPDPG-UHFFFAOYSA-N 414.487 1.425 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)Nc3ccnc4c(C#N)c(C)nn34)CC2=O)cc1 1851592359 AUHXGTMQGQPEMG-OAHLLOKOSA-N 404.430 1.905 30 10 HDEE O=C(CCn1cc(Br)cn1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851840840 PNQPSLNIAVPYES-UHFFFAOYSA-N 417.207 1.906 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCCCN2CCN(C)CC2)C2CC2)c(C)c1 1853560164 MJNHZCMJPABSDZ-UHFFFAOYSA-N 408.568 1.959 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)ccn1 1853729639 BVYQHMNJDHJBJD-IBGZPJMESA-N 403.442 1.152 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1853742023 SVBHBSJYGTZIIQ-PKOBYXMFSA-N 402.539 1.099 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854520189 MSNGTAYGEBWKRP-OAHLLOKOSA-N 405.476 1.265 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(Cc3ccccn3)CC(F)(F)F)C2=O)CC1=O 1854967607 NORMNIBLZDOSEH-HOCLYGCPSA-N 424.423 1.608 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)c3ccccc3-n3cnnn3)C1=O)CC2 1855036445 ZKOYCAIBKVADCD-MAUKXSAKSA-N 405.462 1.419 30 10 HDEE CN(C)c1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1855400907 DFTWHOIWHWORFI-KRWDZBQOSA-N 401.444 1.786 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)Cc4cncnc4)C3=O)CC2)cc1 1855458027 PBRQQUYVALCDAD-HXUWFJFHSA-N 405.458 1.562 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(n4ccnc4C)C3)ccc21 1856250492 JEXCASMQGDQCPC-UHFFFAOYSA-N 414.487 1.819 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)C[C@@H]4CCOC4)C3=O)CC2)c1 1857015540 MWXANFYAUPTAFY-RBUKOAKNSA-N 412.490 1.598 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C(C)C)on2)C1)[C@@H]1CCN(C)C1=O 1857046683 UHDPKXXGLFLRDZ-DOTOQJQBSA-N 402.495 1.896 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CCc3ccccc3)C2=O)CC1 1857067529 YUXROWXNXGPEOG-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2=O)C1 1857103078 BNAAGRILBLQKQA-BBRMVZONSA-N 404.417 1.969 30 10 HDEE Cc1cnc(N(C)[C@H]2CCN([C@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)C2)nc1 1857150835 QOKLBUOBIYOVQI-ROUUACIJSA-N 405.462 1.004 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857264733 OQFWTSYMEDXDEK-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(OC)c(C)c2)C1)[C@@H]1CCN(C)C1=O 1857283729 IPMBAUVQGNQRTG-RTBURBONSA-N 413.518 1.640 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)c2ccccc2C1=O 1861528676 NBUNRDZDBXRQBS-IBGZPJMESA-N 405.454 1.702 30 10 HDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1F 1870108838 AMVTULOJDZVDBN-CYBMUJFWSA-N 400.414 1.541 30 10 HDEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870561143 BAXDRVFZWVYQHT-UHFFFAOYSA-N 409.486 1.581 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc2nc[nH]c2c1 1870962293 QQIIHAYUDIYHQI-UHFFFAOYSA-N 411.462 1.664 30 10 HDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1sc(C)c(C)c1C(=O)OCC 1872655613 ZKKDUTHULWTPFH-UHFFFAOYSA-N 422.463 1.787 30 10 HDEE Cc1ccc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1C#N 1889280388 BEIYAVWLBCUBNS-UHFFFAOYSA-N 407.478 1.419 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)NCc3ccc(F)cc3)CC2)CC1 1889424435 KQLJFKMTENCICF-UHFFFAOYSA-N 402.514 1.767 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@H]2COC[C@H]21 1982286686 MWOLUWGWMCQNAQ-GRYCIOLGSA-N 411.318 1.449 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010394944 GDGZXVXBZLBFPP-GXTWGEPZSA-N 418.303 1.970 30 10 HDEE C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2029312413 SIJZOVNDEISVPI-AWEZNQCLSA-N 407.492 1.955 30 10 HDEE C#CCN(C(=O)C(F)(F)CNC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 2059560051 PRUBTXGHVUZWGQ-HNNXBMFYSA-N 414.430 1.197 30 10 HDEE C=CCN(C(=O)[C@H]1C[C@](O)(c2cn([C@@H]3CCO[C@@H](CC(=O)O)C3)nn2)C1)C(C)(C)C 2087912832 PWONHQOCENPBAY-PFKNGNAYSA-N 420.510 1.884 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1O 2172855274 VMEMOBWQIYVTAQ-ZNMIVQPWSA-N 401.529 1.654 30 10 HDEE CCOC(=O)CS(=O)(=O)N[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631267 MFTHPSRSQHKBLC-NSHDSACASA-N 403.331 1.591 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2243407699 XVIQVHNDQRGXGV-LBPRGKRZSA-N 408.260 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247680049 QMYYQIDOVMJCEP-CABCVRRESA-N 419.331 1.845 30 10 HDEE C[C@@H](CN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247780901 GSECAPZSTUIZIS-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)n1 2255651084 UGDWKNIQRMOJEX-SFHVURJKSA-N 424.354 1.971 30 10 HDEE CN(Cc1nncs1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267374996 ZXTZECJZECCDDF-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267565694 RAIATSVCQOWZDD-VIFPVBQESA-N 407.750 1.864 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC(O)(CN)CC3)c2Cl)OC1(C)C 2281941185 VIGHJSFFCDMUCI-UHFFFAOYSA-N 400.737 1.627 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCCC4(C3)OCCO4)c(F)c2)OC1(C)C 2282036104 DQWLHFNPHQLLIK-CQSZACIVSA-N 406.263 1.935 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314549 AXTPRUMGRVMSMN-ZDUSSCGKSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3NC[C@H]4C[C@H]43)cc2Cl)OC1(C)C 2282320397 HZLVHJYLRVVOQR-FOGDFJRCSA-N 418.777 1.587 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3CCCNC3)c2)OC1(C)C 2282336381 CFCSSZMVQCWIEH-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(F)CC(CO)C3)s2)OC1(C)C 2282341041 MVLIBJRRFGNMRA-UHFFFAOYSA-N 405.322 1.436 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282414029 NCOZIILUKDZWSY-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE Cc1nnsc1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282494824 CXUAVQBSGWOVLZ-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CN(C[C@@H]1CCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504485 PKAXMAXBWATFRW-LBPRGKRZSA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3(CC(F)C3)C2)OC1(C)C 2282505133 ZDISSWVICNCVHC-UHFFFAOYSA-N 402.322 1.706 30 10 HDEE C[C@@H]1C[C@H](CN)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507052 BFUDCYHDAWQRCS-CHWSQXEVSA-N 400.375 1.546 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CCC3(CC2)OCCO3)n1 2282549431 KFBYGRYUOHWISQ-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE Cn1ncc(C(=O)NCC2CCC3(CC2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282565889 QHDGURHVFKVFFI-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCN3CC=CC3)cc2Cl)OC1(C)C 2282826728 SZCRPNFOULFQIL-UHFFFAOYSA-N 418.777 1.851 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H](CN)C1 2282832640 QMXHLZQEBMKEKK-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE C[C@H]1CCOC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833582 IXWHCOAXJQCIAH-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@]23CCOC3)OC1(C)C 2282835631 XMNWFNXQNQCIQQ-BLLLJJGKSA-N 400.331 1.041 30 10 HDEE CS[C@H]1CCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837994 YYGUVVKBSGSXFD-OLZOCXBDSA-N 401.363 1.282 30 10 HDEE Cc1cc(S(=O)(=O)NC2CCN(C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282839939 KJCSALYUPQNAGC-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](CO)C2CCC2)OC1(C)C 2282855893 KOCYQBACXVKNRF-ZDUSSCGKSA-N 401.359 1.734 30 10 HDEE CNC[C@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871372 FYBMYQNJNZZHLZ-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283112358 WDRCCDLTVRKGBF-JTQLQIEISA-N 402.709 1.046 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](CCC(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284401378 AGUPROBWMUGZPD-JTQLQIEISA-N 401.212 1.889 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)O)OC1(C)C 2284406779 CGMBQVPYVBEBGB-ZYHUDNBSSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(CO)(C(=O)O)C3)c2Cl)OC1(C)C 2284434684 CCBUVBKRYCQGHP-UHFFFAOYSA-N 401.677 1.220 30 10 HDEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)ccc1O 2331565687 MLJAKLSXXGAWCH-UHFFFAOYSA-N 400.258 1.352 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365201229 GRSKYSNYUYAJGR-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367798357 QHLCOLNJCLVPLR-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CCNC(=O)OC(C)(C)C 2367808515 CZHCBMJURNVCDP-CVEARBPZSA-N 402.557 1.601 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367816965 QPNNJUJDLPZJLE-OAGGEKHMSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367824878 NPBPRZKSBQOGTD-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE N#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 12030854 NWBCKBHDKSVZPH-INIZCTEOSA-N 404.469 1.771 30 10 HDEE CCNC(=S)/N=C(/Nc1nc(C)cc(C)n1)N1CCN(C(=O)c2ccco2)CC1 14160922 UEDVTVDSYZZYSE-UHFFFAOYSA-N 415.523 1.807 30 10 HDEE C=CCNC(=O)N1CCO[C@H](CN2CCCN(C(=O)c3ccc(F)cc3)CC2)C1 34692121 PXCMNIVETIYFHW-LJQANCHMSA-N 404.486 1.570 30 10 HDEE COc1ccc(N2CCN(c3ncnc(N(CC#N)CC#N)c3[N+](=O)[O-])CC2)cc1 40611142 JAAPKMWFYFXPEI-UHFFFAOYSA-N 408.422 1.574 30 10 HDEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1nccs1 59884751 RHKDPJQNPCHHCX-REZTVBANSA-N 419.452 1.533 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 217437790 OKRZRUXJXPBFQE-OAQYLSRUSA-N 420.517 1.858 30 10 HDEE C[C@@H](C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)n1cnc(C#N)n1 409647365 IYNQVOMTYNLRJM-AWEZNQCLSA-N 410.459 1.828 30 10 HDEE CNC(=O)COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1 434963220 PZHPXHBIWOILGP-UHFFFAOYSA-N 408.462 1.741 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 435634492 GWACBMCNWWGCDC-UHFFFAOYSA-N 408.433 1.858 30 10 HDEE N#CC1(NC(=O)CCCS(=O)(=O)N2CCCC2)CCN(Cc2ccccc2)CC1 479341250 JKSBVYOENQZHFL-UHFFFAOYSA-N 418.563 1.867 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 481452702 TVQCRYWGUZQVQW-PBHICJAKSA-N 415.519 1.676 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 503628350 YJCVCXRYTBDRDZ-QGZVFWFLSA-N 400.454 1.191 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OCC(C)C)C1 508823057 BEFJRWVGTZCBIR-CVEARBPZSA-N 413.544 1.048 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 508897897 ZMHVCFIWWVGEKL-INIZCTEOSA-N 408.466 1.670 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCC(C)(C)N1CCS(=O)CC1 509922961 DNPMDYWNEYKRTL-UHFFFAOYSA-N 407.536 1.685 30 10 HDEE CN(CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)c1ncnc2[nH]cnc12 523357380 CWNKURGMPHWWIC-AWEZNQCLSA-N 422.474 1.201 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 537919955 ZSXDPNHRDJDEEQ-SFHVURJKSA-N 418.519 1.715 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 540448732 KZPJRFPTYITHTA-IBGZPJMESA-N 422.489 1.863 30 10 HDEE C=CCSCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 540959877 UPTCORMEXIDHQJ-UHFFFAOYSA-N 414.509 1.530 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3Cl)CC2)n1 546916317 HNTZZSPZWSCEFX-UHFFFAOYSA-N 423.868 1.343 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC)CC1 549084875 RELCCLRHNWQKLJ-UHFFFAOYSA-N 412.538 1.918 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC4(CCOCC4)[C@@H]3O)CC2)o1 555165329 HSJBFAAHMAUQTG-FUHWJXTLSA-N 402.495 1.755 30 10 HDEE Cc1ccnc(N=c2ccc(=NCCNS(=O)(=O)c3ccccc3C#N)[nH][nH]2)c1 585420277 RDRNREDJDDUEIS-UHFFFAOYSA-N 409.475 1.030 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(Cc4ccc(C#N)cc4)CC3)n2)n1 585588161 KTCUNANNWGPRIW-UHFFFAOYSA-N 417.517 1.735 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(F)c1 586859089 RLWAGXCVSFGUMD-GOSISDBHSA-N 409.421 1.016 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2ncc([N+](=O)[O-])cc2C#N)CC1 609039689 DRKLQOBEJONZKR-UHFFFAOYSA-N 402.436 1.096 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 614993505 FNWOFNAEJJWSKU-UHFFFAOYSA-N 400.463 1.894 30 10 HDEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670201120 JDVWCGJNBLXMHK-PXNSSMCTSA-N 409.538 1.905 30 10 HDEE C[C@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 731728587 OGUIRQVTKYHMOJ-ZDUSSCGKSA-N 413.471 1.722 30 10 HDEE C#CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 733355868 FFKACOSMUREUHO-UHFFFAOYSA-N 400.298 1.488 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 735069234 PNHMCVKFJBCJBJ-INIZCTEOSA-N 414.531 1.423 30 10 HDEE COc1ccc(CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)cc1C#N 746877990 PQMRNILWSYXRCG-UHFFFAOYSA-N 406.442 1.522 30 10 HDEE O=C(OCC#Cc1ccc(C(F)(F)F)cc1)C1=NC=CN2CCS(=O)(=O)N=C12 750875349 PDFULMOWSVTTMN-UHFFFAOYSA-N 411.361 1.570 30 10 HDEE CCn1c(=O)n(CN(C[C@H](C)C#N)C2CC2)c2cc(S(=O)(=O)N(C)C)ccc21 753976962 MWSYJOXEFXAJJG-CQSZACIVSA-N 405.524 1.655 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757479550 REQJXPJKAGGMEP-VBKZILBWSA-N 422.437 1.479 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(C)cc2)C1 760299028 HNYKDJIDDOJQKG-CVEARBPZSA-N 417.535 1.866 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CCO2)c1 762008650 YPDDFCOVORCTKA-NRFANRHFSA-N 420.469 1.933 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767882116 QBLJKYMVPJGOBN-UHFFFAOYSA-N 424.551 1.834 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccccc1-n1cccn1)c1cc[nH]n1 772376787 IOOALDMDAINLPX-AWEZNQCLSA-N 410.434 1.757 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1C)[C@H]1CCS(=O)(=O)C1 774059325 UQTYWWQRSJVARV-KRWDZBQOSA-N 419.503 1.122 30 10 HDEE C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCN1CCO 779405655 RPDBADSDYIUPTI-OBAOGOGRSA-N 423.539 1.030 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NC[C@@H](O)COc2ccccc2Br)cc1 780983313 LYHYRKWKVXIZKR-RHSMWYFYSA-N 405.248 1.910 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2 782401260 CIZHRCIQLPWAGS-SNVBAGLBSA-N 424.251 1.945 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 783618034 JGEVJFHOLDCLDQ-UHFFFAOYSA-N 415.468 1.285 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)n1 789320893 KTGXYJFTVUIVOI-OAQYLSRUSA-N 423.561 1.870 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)n1 790109221 QYEVUEPWLMBAJG-OAHLLOKOSA-N 416.400 1.655 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 792312981 ROGFGCWSJSXNSA-HUUCEWRRSA-N 401.529 1.464 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(F)F)C2)cc1 801617046 NDDQLCDAZNQNLQ-OOJJEUIESA-N 416.450 1.997 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 801957025 UITDAKSFDSKBBD-NQIIRXRSSA-N 408.468 1.606 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 803700078 AVFNBUBOXOXDIR-UHFFFAOYSA-N 402.472 1.616 30 10 HDEE C[C@H](OCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccn1C 805939660 MLEZOHISEFVBFB-JTQLQIEISA-N 416.381 1.893 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC2CCN(C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 807254903 HOTPBBWVYHUQNZ-GOSISDBHSA-N 419.547 1.492 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCOC2)CC1 812389181 DETWQXWOBACFHN-QGZVFWFLSA-N 411.506 1.659 30 10 HDEE C#CCN1C(=O)C[C@H](N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O 821771754 MOUBJLQFLRPAJY-AQNXPRMDSA-N 409.486 1.774 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 858062790 BAYZURJVPHRLSI-INIZCTEOSA-N 400.460 1.220 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1 917042197 XCRTVAZNNSKKCC-GOEBONIOSA-N 422.507 1.460 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCc2ccc(F)cc2)n1N 1084332360 QNAHYXILIUXALI-UHFFFAOYSA-N 404.475 1.675 30 10 HDEE Cc1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ncc1C#N 1128738203 YQTANZJTQFKHNH-KRWDZBQOSA-N 410.449 1.848 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2[nH]c(C(=O)OC)cc2C(C)=O)ccc1F 1133685781 DIISHMGNNGUEGV-UHFFFAOYSA-N 423.422 1.860 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)nc2n1CCOC2 1134818233 UKVKSNIPHULUCA-MRXNPFEDSA-N 423.473 1.931 30 10 HDEE COc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1OCC(F)(F)F 1136268247 HCFXRVUGYDLBHV-UHFFFAOYSA-N 412.324 1.087 30 10 HDEE C=C[C@@H](COC)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1138582749 KQPOTIDIBHXMOD-UONOGXRCSA-N 402.538 1.605 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1COc1ccccc1)c1cc[nH]n1 1141258058 HGBTXLOHEPZXHE-HNNXBMFYSA-N 400.435 1.764 30 10 HDEE COc1cnc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1141411997 VDJVIUSFYVKOHO-UHFFFAOYSA-N 404.423 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C(=O)N2CCN(C(=O)CC#N)CC2)(C(F)(F)F)C1 1150000732 NZMFXTUTPAQXJZ-QGZVFWFLSA-N 418.416 1.760 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3COC4(CCOCC4)O3)n[nH]2)c1C 1152752624 GOBUHXCFXBIMRX-HNNXBMFYSA-N 401.467 1.728 30 10 HDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN1CCO 1155026711 NSJVUOMIOJYUAB-DILDSAGESA-N 406.527 1.298 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2ccc(N(C)C)nn12 1156828155 KUBHFBCRTXOERL-GFCCVEGCSA-N 423.905 1.842 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2noc3ccc(Br)cc23)CC1 1157008771 CAIAODDRGUHQSV-UHFFFAOYSA-N 419.279 1.026 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN(C(N)=O)C3)C2)C1 1157169905 WHEYBVIBHXBNID-UAWGMYSWSA-N 405.499 1.290 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)NCCN3CCCCC3)n[nH]2)c1C 1157971612 QEKOHUBILIWGAF-UHFFFAOYSA-N 413.526 1.408 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2=O)cc1 1226110955 GVELUNXCLKBWFA-HNNXBMFYSA-N 423.395 1.817 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1253779328 OIPCXNWAEVDKND-OAHLLOKOSA-N 415.462 1.409 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1255365621 XJTDQOUBPIYHQP-HXUWFJFHSA-N 417.517 1.878 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN2CCSCC2)c1 1286310065 BAEYYCRQKPNLNC-UHFFFAOYSA-N 412.563 1.946 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1286411183 ZPKNKXAEISNKJE-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCN(C(C)=O)C2)n1 1286469856 LQIPPTYMCZMLHT-IBGZPJMESA-N 413.526 1.328 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCCC2(C)C)CC1 1286482383 QQLIPZQZJAYPCW-HSZRJFAPSA-N 408.550 1.960 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286495421 VFWSTVGZPDTKIP-SJORKVTESA-N 403.552 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCNS(C)(=O)=O 1286526056 VLUBUOURDWZAJD-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286715992 AMCAQQHISLPCCB-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1286793746 LCBRAMMJPJCJDA-HNNXBMFYSA-N 420.514 1.489 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnn(C[C@H](O)CO)c3)c2)c1 1290505145 YSZMGSVIVOGOCP-NRFANRHFSA-N 419.437 1.675 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCC4(CCC4)O3)CC2)cc1 1290635794 CEEBTPYHDDBDTB-KRWDZBQOSA-N 403.504 1.883 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1291594599 COJFDNPXUBCDCH-MRXNPFEDSA-N 402.476 1.582 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]n1 1294435678 FVVDETQUKRRLRZ-GFCCVEGCSA-N 405.455 1.950 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@@H](O)Cc2ccccc2)s1 1295329193 RMKTXCSSHHIWPT-YOEHRIQHSA-N 408.545 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccccc1)OC 1300270816 FKWZTFFCJXZKPO-LZLYRXPVSA-N 419.551 1.604 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1300329253 OXHQFOLAHDFHBT-CABCVRRESA-N 404.515 1.944 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1300400868 QFDMTBQTTBMEPW-KGVIQGDOSA-N 415.490 1.934 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300458891 NKNDQTFEZRTZPW-BRWVUGGUSA-N 423.583 1.137 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300485457 WSLCZJWFLGPCIW-NVXWUHKLSA-N 416.551 1.759 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300499771 WTDIAZRYCIYEBN-SFHVURJKSA-N 414.531 1.329 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(N)=O)c1 1300595533 DQCCAXGZDXIKMW-PMACEKPBSA-N 421.501 1.612 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1300622173 XVQNCFYPJWVMQV-UHFFFAOYSA-N 412.519 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(C)COC2)CC1 1300685610 QWTSURNZSLTWCJ-UHFFFAOYSA-N 419.327 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@](C)(O)C(C)C)CC1 1300691351 VQPJTDMFGRHSDL-JOCHJYFZSA-N 411.506 1.836 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300767868 GWCGFZKIKXUUIO-IRXDYDNUSA-N 413.551 1.221 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300845040 UCLVSDJGDFKNMM-GUYCJALGSA-N 410.316 1.940 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 1301084937 QEEVGXBSQDMBLR-BWACUDIHSA-N 401.435 1.496 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1301120235 LHVJYQLFKYHAQE-RBUKOAKNSA-N 416.570 1.988 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnccc2OC)C1 1301536289 UGRATVYYPMKHHO-MRXNPFEDSA-N 400.483 1.650 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1301648552 CEQOIKVUNNJNIA-OAHLLOKOSA-N 408.466 1.496 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(C(N)=O)c1 1302242269 KTABNWVQUFOTHW-JLSDUUJJSA-N 412.494 1.888 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1COCCO1 1302955107 YAQDQPMNJHBZDQ-SFHVURJKSA-N 411.510 1.485 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOc2ccccc2[C@@H]1CO 1304007690 GCEQDYAVNURISH-KDOFPFPSSA-N 415.471 1.180 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 1312373478 BVNYURDMDCBWMK-XLIONFOSSA-N 418.519 1.126 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCC(=O)Nc1ccc(I)cc1 1312681178 CWGXTEKLORJKFJ-OLZOCXBDSA-N 415.231 1.872 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1313169123 YOVFQEBCUDPEIW-RTBURBONSA-N 400.479 1.354 30 10 HDEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)n1 1314907838 ATLVFTGFBXFTHW-UHFFFAOYSA-N 421.505 1.914 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)C[C@H]1O 1315109100 GYUBMBBWTKOTKW-CRAIPNDOSA-N 413.478 1.884 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@]2(O)CCOC2)c1 1358901653 RUXFKNUOKNQZQI-AOMKIAJQSA-N 411.506 1.999 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358917986 HOXAAUNWAWMZFT-IEBWSBKVSA-N 414.554 1.722 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCSC1 1358940640 GCKCPFPVXLMMIL-INIZCTEOSA-N 410.341 1.984 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C=C)cc1 1358969896 ZKBMQEREAIUYAM-KRWDZBQOSA-N 411.531 1.847 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1359000106 LTQPWAMOQBTELK-AWEZNQCLSA-N 415.585 1.260 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1359009614 USXXGLHDHPERCN-RXVVDRJESA-N 419.595 1.840 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCC(C)CC1 1359018497 SERPTYLRGYVPGH-LJQANCHMSA-N 416.570 1.721 30 10 HDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC)c1ccccc1 1359139176 NHWOQDXFWJLLKL-MRXNPFEDSA-N 407.496 1.322 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359159824 GEBDAHZDXYWMMQ-MGPUTAFESA-N 418.498 1.075 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1359240703 VYJDXIAUWYWSDF-INIZCTEOSA-N 405.524 1.684 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(OCC)cc2C1 1359297979 IUXOMYBBSFJZBT-UHFFFAOYSA-N 421.505 1.942 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)C1 1359327954 OYOQMZBAZGHSIK-UHFFFAOYSA-N 423.926 1.478 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)C3(C#N)CCSCC3)cn2)CC1 1360139949 WFECGOXLYZGJGB-UHFFFAOYSA-N 409.537 1.139 30 10 HDEE Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cn1 1361263602 GIUMOPCYPZEJSC-INIZCTEOSA-N 404.434 1.406 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1c(I)cnn1C 1438764339 NTPHHQNTYCPFQK-SNVBAGLBSA-N 410.215 1.980 30 10 HDEE COc1cc(OC)c2c(=O)c(C(=O)N3CCN(c4ncccc4C#N)CC3)c[nH]c2c1 1440763650 XAQGUDXVMYLICC-UHFFFAOYSA-N 419.441 1.774 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)OC)c1 1446112948 WXEZUXXVMQOHNG-SFHVURJKSA-N 407.488 1.666 30 10 HDEE C#CCN(C)CCCNC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1 1450483817 GIYBPABSGNIQSU-UHFFFAOYSA-N 407.555 1.990 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)c1 1451186195 YMPTUBGYLSBYTG-WBVHZDCISA-N 420.512 1.663 30 10 HDEE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)CCC2 1453057892 LDGMXCPPOSKXJE-BZROSYFNSA-N 411.458 1.926 30 10 HDEE CCCCc1ccc(N2C[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)CC2=O)cc1 1453840803 GQYBRVIVZMGBEB-INIZCTEOSA-N 423.473 1.332 30 10 HDEE CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCC[C@@H]1C#N 1454653076 UKFVEWBDGGRQEJ-WBVHZDCISA-N 400.504 1.998 30 10 HDEE C=CCN(C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)[C@H]1CCS(=O)(=O)C1 1456085096 KMFWNQUPIPUOPZ-SJORKVTESA-N 400.504 1.709 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1456732687 GRRBZEOIXNSDBU-UHFFFAOYSA-N 404.448 1.837 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(Cc3c(F)cccc3F)s2)C1=O 1461601991 ATPVUINZLUUAFX-UHFFFAOYSA-N 420.397 1.927 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)cc1 1464265991 FLRIJDSUFRHCKN-NXSRCCIVSA-N 413.521 1.405 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C 1466319815 HQEQTSLBWWJLHJ-CYBMUJFWSA-N 412.512 1.573 30 10 HDEE C[C@@H](O)[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1466464746 GVNVTONMDDJCHY-DNVCBOLYSA-N 405.520 1.721 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)c1 1471068933 OGLOSEAVRJFLSW-PMACEKPBSA-N 403.442 1.785 30 10 HDEE Cc1cc(C)nc(C2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1471080005 XGCSISYTUHIWMU-SFHVURJKSA-N 418.457 1.796 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OC)cc2S(C)(=O)=O)n1 1476614917 SJLHIQOABWBRKF-UHFFFAOYSA-N 420.491 1.609 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCNS(C)(=O)=O 1492874875 AXIZMQORIMHYDA-UHFFFAOYSA-N 417.539 1.114 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)CCOC1 1502689146 WCNMLLPQWCXWQQ-WOJBJXKFSA-N 407.515 1.459 30 10 HDEE CCOCc1nnc(N(C)C2[C@H]3CCC[C@@H]23)n1CCN/C(O)=C1/N=CC=CC1=O 1503007521 OCKKWFWZIHAHQW-LGORSUQBSA-N 400.483 1.576 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507589547 XUFTUHFKLJVZQB-IXDOHACOSA-N 407.540 1.403 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1507698653 OQSDKIVPOICXSS-UHFFFAOYSA-N 411.441 1.609 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507755208 SFHSWWBYRGKGER-BBWFWOEESA-N 420.583 1.141 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C1CC1 1507773689 VIXMVUFJSROXRT-OXJNMPFZSA-N 405.568 1.657 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N(C)C1CC1 1510074804 BHXCKECGSQKIKQ-NVXWUHKLSA-N 423.521 1.523 30 10 HDEE C[C@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1510357059 RQGSNMGHUPXOGV-XLIONFOSSA-N 417.441 1.530 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC(=O)N1C 1512421352 RQQMOFVDNFRWBE-RHSMWYFYSA-N 421.505 1.398 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1514410436 NWVIUHJPIQSNCU-MRXNPFEDSA-N 424.571 1.931 30 10 HDEE COC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1517714370 IAXSXNBXPAXTTC-INIZCTEOSA-N 400.439 1.921 30 10 HDEE COCCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1519239793 RGMKPWNPPBZDSI-UHFFFAOYSA-N 412.494 1.723 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(OC)cc2Br)C1=O 1520558099 QMDMWOMIKNNIDD-SNVBAGLBSA-N 424.251 1.612 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CCO1 1521128494 DCZAEICIUYQMGK-IRXDYDNUSA-N 402.499 1.303 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC[C@]2(COC)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1532350482 ARHXLLPIIBRIHP-SFTDATJTSA-N 408.495 1.960 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1 1539102570 CXDNTHFUWATXFU-UHFFFAOYSA-N 403.386 1.947 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1539171607 MDERZCIPQHYVKF-UHFFFAOYSA-N 402.462 1.710 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539512282 BKGMBGJBBNUXNO-UZLBHIALSA-N 416.551 1.819 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539520786 UILUDKTXBANEBS-OAHLLOKOSA-N 407.565 1.500 30 10 HDEE C=C(C)COCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1539760125 VIERFPUMJJNSCM-NRFANRHFSA-N 421.542 1.582 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCC#Cc2ccccc2)C1 1539819128 AYBORPGDRKAGMB-KRWDZBQOSA-N 406.504 1.579 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1540907764 HUDDDVCGDHHNPN-CQSZACIVSA-N 404.544 1.806 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1541103598 BXIAQNOZVGGDHQ-INIZCTEOSA-N 424.509 1.924 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1544554224 PNKYVMSDWOHBFS-PBHICJAKSA-N 421.505 1.398 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CCO1 1554451481 IBMJSRRBTDHIKU-KRWDZBQOSA-N 410.478 1.480 30 10 HDEE COCCOCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555716090 MQSGCHJBDFLQIQ-IBGZPJMESA-N 411.510 1.570 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1555995099 MRKPVEYFEIMOMC-HZPDHXFCSA-N 400.414 1.636 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 1556610382 LPCRQKFWKRBMPE-IAGOWNOFSA-N 422.503 1.194 30 10 HDEE C=C[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1557623540 UECMNFISPMVJSM-CQSZACIVSA-N 418.925 1.703 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 1564416918 HMZHIDAPVBXWOU-OAHLLOKOSA-N 403.545 1.924 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)nn1 1564958391 QXADOJZVVYWCRT-UHFFFAOYSA-N 418.523 1.297 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(OC(F)F)c3cccnc23)c(=O)nc1O 1567721330 FIOCLHMGLGDXRE-UHFFFAOYSA-N 401.329 1.999 30 10 HDEE Cn1cnnc1N1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1583194567 KZFKYWNJMGMLHN-UHFFFAOYSA-N 402.462 1.656 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1587638071 BELVGLSLWLQZPK-DOMZBBRYSA-N 407.565 1.954 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1587862645 YHIVYCXSAWTLTG-SFHVURJKSA-N 415.519 1.719 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1588271542 LODNNRVBOGJRPW-XLIONFOSSA-N 404.511 1.933 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1588695830 ILFQLXZXESFPNM-UHFFFAOYSA-N 419.489 1.905 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588856768 BIKSWZVJFNSZJW-GBXCKJPGSA-N 423.561 1.749 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2nncn2CC)CC1 1588871774 PRQZKWDAXKBITO-UHFFFAOYSA-N 424.484 1.411 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1589048016 QSSAAXQCCNGTQA-UHFFFAOYSA-N 411.539 1.105 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594624790 BJJQGRXFPVTYRV-IRXDYDNUSA-N 416.526 1.905 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OCC)c1 1595345081 AHVFARJZTTWMKE-AEFFLSMTSA-N 407.488 1.714 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)Cc1cnn(C)c1C 1595497235 UUDKNEXETBYGNC-UHFFFAOYSA-N 409.494 1.934 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595517151 QQRHJSPRBJEPLP-QGZVFWFLSA-N 407.478 1.081 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595761281 ZABLPHUWYZCTHS-KRWDZBQOSA-N 416.569 1.017 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 1597713644 WPMNXFUDPXIPAI-CYBMUJFWSA-N 421.425 1.336 30 10 HDEE C[C@@H](O)C[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1611299052 BRZCRWFTANNXSS-WBMJQRKESA-N 408.296 1.755 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1616964828 AWJIREYWBJTNSM-LJQANCHMSA-N 422.551 1.251 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1619488666 DSGHSEPEEYCBNB-ATNYBXOESA-N 411.503 1.437 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOCC1 1620002792 XOHJQXQYESQRBY-GHTZIAJQSA-N 420.558 1.854 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC1(C#N)CCSCC1 1623151504 KOZBFOGUIBYVPL-HNNXBMFYSA-N 412.556 1.948 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(F)c(Br)cc2F)C1=O 1624400254 QNODZIVUSZKOTE-UHFFFAOYSA-N 417.162 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)CC1 1624608848 VRESEVUGJJJCSO-QGZVFWFLSA-N 410.536 1.673 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(=O)c(OC)c[nH]2)n1 1627670117 JMGSZWKVAHRGMW-UHFFFAOYSA-N 404.477 1.749 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1628307746 WFHHPDPWHAGVJL-SFHVURJKSA-N 420.554 1.450 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1630478388 CEVCRBJPYBNKSU-KBPBESRZSA-N 423.473 1.886 30 10 HDEE C#Cc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1 1631285068 NZBQEYUTTIRAIE-UHFFFAOYSA-N 401.488 1.280 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@H](c4ncon4)C3)C2)C1 1633922218 ITHMOKRRLIABEA-LTWWHTJUSA-N 417.466 1.756 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1636813696 ZFIPZYGFTWBAIL-UHFFFAOYSA-N 401.400 1.216 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1637390262 SZPMZUIGPVWXSF-SFHVURJKSA-N 416.522 1.779 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1638678613 OCSOPNVJHPOFHQ-FQEVSTJZSA-N 420.872 1.460 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 1641310516 OTGBFQCTXHGAPD-RUYXUALKSA-N 413.474 1.983 30 10 HDEE Cn1cnc2c(SCC(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)ncnc21 1641402034 YSAUZQAEOSWPLH-INIZCTEOSA-N 407.503 1.864 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CSc2ccc(S(N)(=O)=O)cc2)C1 1642607639 PVUCFUBUGHCMPQ-LJQANCHMSA-N 416.528 1.905 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1643396961 RUSSPQVTKXKELD-NJDAHSKKSA-N 405.495 1.843 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@@H]3CCCO3)c2)C1 1643706721 VPDQZXRVKZCMGF-ZDUSSCGKSA-N 400.859 1.595 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1648072895 MVCANTPUMUUHLB-SJORKVTESA-N 403.527 1.929 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1648283310 VOQGFDMKCHLSNY-TZQQIIETSA-N 407.511 1.591 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1649011801 QEADCMBOEDGBKH-MUUNZHRXSA-N 415.512 1.050 30 10 HDEE COc1cc(OC)c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)[nH]c2c1OC 1652521364 OUHMFZUIBMSDKM-WLRWDXFRSA-N 419.459 1.204 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1 1653798659 MJVVICKUPGDNBD-DOMZBBRYSA-N 402.398 1.333 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1653852113 UVQITOGLIBGOLD-GOSISDBHSA-N 413.499 1.784 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(N3CCCS3(=O)=O)CC2)CC1 1653877032 FXIUDIMTUZWMIE-GNZRSQJKSA-N 410.584 1.806 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(F)ccc2OC(C)C)CC1 1654308550 KSRCEIMGFOVQPW-UHFFFAOYSA-N 411.499 1.059 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1662998032 IPUOJRLSAPQHBQ-GTJPDFRWSA-N 409.327 1.515 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OCC 1665796981 IXILMBSOOOFRIQ-AWEZNQCLSA-N 408.473 1.373 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)CC1 1669003383 WZSIAKXEFMBNEA-UHFFFAOYSA-N 413.522 1.201 30 10 HDEE C#CCOc1ccc(NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1669079068 CZBQBDUIGUZMTG-UHFFFAOYSA-N 416.503 1.946 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCSCc2ccc(C)cc2)CC1 1674398957 JTNLVJZJUWLECI-UHFFFAOYSA-N 410.565 1.023 30 10 HDEE C=CCN(C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@H](C)COC 1679624771 BLZLABQDJXCLSE-YZGWKJHDSA-N 400.523 1.818 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(-n2ccc(C(=O)OCC)n2)c(F)c1 1679816495 STCDELFXXPVHBD-UHFFFAOYSA-N 424.454 1.910 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1680852910 CUBXEIVTDAGEBR-JENIJYKNSA-N 402.470 1.835 30 10 HDEE C=CC[C@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1681307992 NNXNUSFUNHACLV-MAUKXSAKSA-N 409.552 1.852 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2cn(C(F)F)c3ccccc23)c(=O)nc1O 1684443274 QWQGAWCBVQDTOP-UHFFFAOYSA-N 402.361 1.670 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 1685832117 NOQPCLODWAURKU-UHFFFAOYSA-N 400.458 1.800 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1689867652 VNGNFFGLHAEDBC-JFIYKMOQSA-N 403.527 1.513 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689985793 BNFRPZHBKBIVDC-ZWKOTPCHSA-N 415.519 1.392 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689988123 JQOTVORFPUFZRY-DLBZAZTESA-N 419.551 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccco1)N1CCCC1 1690025466 ROZNIWJKUXUELB-LJQANCHMSA-N 420.517 1.903 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCSC1 1690093901 NPBYICOEZVKVQE-VQTJNVASSA-N 424.567 1.273 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1690125810 NTXPQLWCEZEQCR-UHFFFAOYSA-N 408.485 1.445 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C)C1CC1 1690545534 TXRILPSZVUMCGO-HZPDHXFCSA-N 409.556 1.056 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1692741557 HBATXAHYISXOJW-UWJYYQICSA-N 417.558 1.515 30 10 HDEE Cc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693496480 ALDGFSCIQUKBOP-RUNIHZNKSA-N 400.483 1.508 30 10 HDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1696633206 UMXLHLYOACYIOY-RMYFCYLKSA-N 409.450 1.092 30 10 HDEE CNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)c1 1696935849 HKYJQGXMBWCDPU-UHFFFAOYSA-N 421.505 1.548 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c1 1697522755 HGSLQTYOMZLXES-KRWDZBQOSA-N 412.494 1.845 30 10 HDEE COc1cccc(CC(=O)N2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)c1 1697529238 GIDNBGOJMVKXHI-UHFFFAOYSA-N 420.473 1.999 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(C)=O)CC1 1698058149 BFJVJDOMOFWANT-UHFFFAOYSA-N 419.530 1.041 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1705481444 GNOCBMUSNPTZCA-CQSZACIVSA-N 424.548 1.241 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC2(O)CC2)c1 1705507184 UMZKNUOUVHETOF-KRWDZBQOSA-N 409.490 1.753 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1705517458 WALSZYBRCHGJOI-QGZVFWFLSA-N 407.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCN(C)S(=O)(=O)CC 1705578626 ADXAMONACFRCCC-UHFFFAOYSA-N 400.508 1.085 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705578655 AYBACMOOGZQNKE-KRWDZBQOSA-N 418.423 1.676 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C2CCCC2)CC1 1705639701 UODNLMJVUGXLQB-LJQANCHMSA-N 400.571 1.802 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1705740379 JJONMUVFXIJMFX-SFTDATJTSA-N 419.526 1.382 30 10 HDEE C=C(Cl)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1705753299 WIKIOQWVEDASKC-HNNXBMFYSA-N 410.950 1.571 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1705892537 NMLXSQBOZKTIMK-UHFFFAOYSA-N 401.902 1.962 30 10 HDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCC(OCC(N)=O)CC1 1705892765 GGYPBCPEADLDLD-UHFFFAOYSA-N 401.467 1.522 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1705895602 MGFVGXMHSBFNOZ-INIZCTEOSA-N 422.262 1.780 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1708322032 AIEOAZOWKJBPQS-NRFANRHFSA-N 419.493 1.489 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@@H](C)O1 1712289230 YHLOKCIFKPYNKL-BEFAXECRSA-N 412.494 1.583 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1722360325 GHMFSLFEQSVVNB-JKSUJKDBSA-N 403.508 1.327 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722361999 QQXDRIHPVOJIRE-JXXFODFXSA-N 417.535 1.451 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722368400 RBNHPMPXCSMCCG-ARFHVFGLSA-N 410.565 1.162 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1722382935 DRJSEVINKSFWQZ-MSOLQXFVSA-N 417.535 1.040 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1nnc(C)s1 1722398400 XQQAOHNFEKPCQN-UHFFFAOYSA-N 423.502 1.871 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1722416454 YGUUIEGKJATXBM-UHFFFAOYSA-N 407.478 1.778 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1 1722423679 LZGCORDAUIYWGF-LJQANCHMSA-N 422.533 1.871 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1722436362 DVBKVKNFRASBFN-OAQYLSRUSA-N 414.598 1.928 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCc2nccc(C(F)(F)F)n2)CC1 1722437069 PFASEUDPDSUVOM-UHFFFAOYSA-N 405.428 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2OCCOC)CC1 1722444948 PYKWGUVCKCVKDM-UHFFFAOYSA-N 411.506 1.626 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCOC1 1722502872 KBXAHANRKRBWRR-HLIPFELVSA-N 403.527 1.854 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722602831 CESCZEVHVBJXCN-JKSUJKDBSA-N 422.555 1.093 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncn(C)n1 1722681022 FMYKOSLVKQAENZ-KRWDZBQOSA-N 411.466 1.606 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ncnn1CC(F)F 1722696611 QGJMFFKSOPYHAU-UHFFFAOYSA-N 417.424 1.135 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722739866 JKPAKNPYGBOJJD-YZVOILCLSA-N 407.540 1.533 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1728256904 DNDYOTVYUHGWOZ-IBGZPJMESA-N 407.522 1.970 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1730484020 HQZNCFSESKZUQS-QGZVFWFLSA-N 412.469 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740553586 MDQFPRCZIWOFDW-XHSDSOJGSA-N 415.460 1.893 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1740588906 JFGIRPFOIWELNE-KRWDZBQOSA-N 413.551 1.730 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1CC=CCO1 1740601904 MXJJZVYTASJUMH-MRXNPFEDSA-N 414.535 1.961 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1740721790 UBNBPUNWOLAHGU-UHFFFAOYSA-N 424.530 1.797 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(CC)C(=O)C1 1740953803 RJRKVMAGBCSTTL-UHFFFAOYSA-N 412.494 1.315 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740958484 QIBHXFYTJMXJKV-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1740964106 HKASOJRVUOWBMD-CQSZACIVSA-N 400.414 1.027 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1743253783 CZIRNWVBSBQYJV-IYBDPMFKSA-N 417.535 1.970 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)N(C)CC)CC1 1749014798 OSTRXQOLRBJXMW-UHFFFAOYSA-N 402.543 1.311 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749396569 AAMDQMPBOGNNBL-HNNXBMFYSA-N 407.544 1.505 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1749626046 KDBREIYDJBUIDV-JKSUJKDBSA-N 422.555 1.246 30 10 HDEE C=CCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749646663 WKPQFBVHIXBRSG-QLFBSQMISA-N 404.515 1.950 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C2CC2)C1 1749712974 ODCKIQOFWXAINC-SJLPKXTDSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749725523 RTNSRSPQVZCXRS-UHFFFAOYSA-N 423.461 1.082 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(CO)CC1 1749738590 REFJGCVFUMMMQO-UHFFFAOYSA-N 410.565 1.740 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1760099938 OFBISZWVGOBJBS-YCRPNKLZSA-N 412.494 1.319 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760161453 GYYMHIZFBVJQNM-WWMYMODYSA-N 417.510 1.667 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1760210638 SBFCZLWHEXWWTO-UHFFFAOYSA-N 406.895 1.628 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C)n1 1760288417 BQRWSJCJHDGBBY-SCLBCKFNSA-N 422.580 1.888 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760314953 WSQFWSCOCRGYLS-NWDGAFQWSA-N 407.334 1.908 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760332602 HWCBUFYLEKWASO-MRXNPFEDSA-N 406.556 1.968 30 10 HDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1)c1ccccc1 1760363138 FRJYLLKUQGAAKO-QGZVFWFLSA-N 410.478 1.831 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1760696872 UYOSGMYBUIULMV-BZUAXINKSA-N 417.539 1.550 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)C1 1761544440 DMGBVNKSOIFZBC-QFIPXVFZSA-N 423.521 1.643 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCOCC2)o1 1761760302 GQJDFZQIBQBEEQ-INIZCTEOSA-N 400.483 1.686 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC(F)(F)CO1 1762611856 RREXPMVPVQVDKW-JSGCOSHPSA-N 404.425 1.388 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1764583357 BJRDZPRMHSNTCQ-HXUWFJFHSA-N 404.515 1.585 30 10 HDEE COC[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769466841 FUBVVQHAALENOF-AMGRQBIBSA-N 416.526 1.866 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCOCC2)CCO1 1770751403 ICXUMWAVXVLBAV-QGZVFWFLSA-N 402.524 1.381 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1770989023 YKZYIPKQXJRUSL-PZBISTMVSA-N 421.542 1.920 30 10 HDEE COCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1771081379 NKKPUSDPDJWLIC-OAHLLOKOSA-N 405.890 1.300 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CCNC(=O)C1 1849694395 UMPKWYQMJCQQOB-MOPGFXCFSA-N 402.491 1.564 30 10 HDEE Cc1nccn1-c1cc(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)ncn1 1850400060 PRQQMLXMTJFXMH-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE Cc1nc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c2ccccn12 1851122361 KCWMSUMUELEPJE-UHFFFAOYSA-N 400.446 1.785 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3ccc(C(C)C)c(C)c3)C2)NC1=O 1851879482 MYGXUHLAZCJEDX-CQSZACIVSA-N 410.474 1.792 30 10 HDEE COc1cccc(C#N)c1OCC(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O 1852446511 DCEXVWYGEYGCSA-UHFFFAOYSA-N 401.444 1.906 30 10 HDEE COCCON=C(Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853580480 DRHDXKPWZOTRDR-UHFFFAOYSA-N 421.450 1.818 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C)cc4)C3)C(=O)C2)C1 1853741829 RFYFVDAKHNPLCI-ICSRJNTNSA-N 410.518 1.279 30 10 HDEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853946901 DPPOCRIEJSAFCZ-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@@H](C(=O)c4cccnc4)C3)C2=O)ccn1 1854145733 QYWSLOVJSSAGEO-IEBWSBKVSA-N 403.442 1.684 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854354395 KKMSOWZYWQMEIR-HKUYNNGSSA-N 400.454 1.121 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855029195 NWNMGCAEKRQCCK-LLVKDONJSA-N 420.397 1.293 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)cc1F 1855046612 XKVLNEYCQAVJOJ-YOEHRIQHSA-N 414.481 1.904 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CC(=O)N(C)C1 1855156115 JARCISUPGJZPNN-UKRRQHHQSA-N 402.882 1.557 30 10 HDEE CN1CCN(c2ccc(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)cc2)C1=O 1855861330 CJFSNEGOAZVZOV-KRWDZBQOSA-N 409.490 1.783 30 10 HDEE C[C@H]1CN(CCCC#N)c2ccccc2N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1=O 1856033799 DPHDMXLJZCYVMN-YJBOKZPZSA-N 418.519 1.730 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnc([C@H]4CCOC4)o3)[C@@H](C)C2=O)cc1C#N 1856252413 MOUBGRGNJFIJEP-HOCLYGCPSA-N 409.446 1.627 30 10 HDEE CC(C)c1oncc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856386588 POQCQKORXCNACT-AWEZNQCLSA-N 409.446 1.817 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)C1 1856387012 UKDXLWAGYCWXGP-WCQYABFASA-N 414.359 1.682 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3ccnc(Cl)c3)C2=O)CC1 1857071103 BYIOWKYZWMFGNL-INIZCTEOSA-N 410.865 1.565 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cnc(C)s2)C1)[C@@H]1CCN(C)C1=O 1857079380 CVWHWWDWWDZRFN-NVXWUHKLSA-N 404.536 1.478 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)C1 1857110943 SVQPQPGIDWAIFJ-WCQYABFASA-N 400.332 1.434 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4ccncc4)C3)C2=O)ccn1 1857133092 BZDGQXZTBDVLOR-OXJNMPFZSA-N 405.458 1.880 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)n2ccccc12 1858221408 KBKMHZVWJDNKAE-UHFFFAOYSA-N 407.430 1.441 30 10 HDEE C=CCNC(=O)[C@@H](CC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613489 VATMHSZBWUFICU-DOTOQJQBSA-N 401.463 1.413 30 10 HDEE C=CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870384998 CDTGXQNYTWFRKL-UHFFFAOYSA-N 421.505 1.491 30 10 HDEE CC(C)(C)OC(=O)N1Cc2nncn2C[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1882599024 LVPQSUQSTCNQLV-CYBMUJFWSA-N 413.390 1.152 30 10 HDEE Cc1nc(Cl)sc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890949192 ACERBSWIEQRWFP-UHFFFAOYSA-N 410.971 1.977 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1891403327 IAMYLWOMXBWJKN-QGZVFWFLSA-N 416.441 1.637 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H](c2ccsc2)N2CCOCC2)cs1 1891531628 BKIOVWPSJVZYKW-HNNXBMFYSA-N 406.533 1.924 30 10 HDEE CN(C(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CN(c2nccnc2C#N)C1 1891864737 PGQCETKTCPHXRI-AWEZNQCLSA-N 422.436 1.640 30 10 HDEE C[C@H](C(=O)N1CC(Oc2cccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892148072 IRJJSECTPGJVLJ-CQSZACIVSA-N 400.460 1.398 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985101142 OHBRQKDVDPLQSG-UHFFFAOYSA-N 411.352 1.994 30 10 HDEE C#CCO[C@@H]1CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024231 YVVDZHQKIJCPQP-AUUYWEPGSA-N 408.451 1.065 30 10 HDEE CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC[C@H](C#N)C1 2174785431 YXYYDLPXDOQFSN-NEPJUHHUSA-N 414.450 1.854 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788235 CCCQBMAZVXVSAS-GWQKEKGPSA-N 414.509 1.655 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC#CCO 2221690301 URTXEFJUZRPDRH-OAHLLOKOSA-N 411.296 1.997 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)CC3CC(=O)C3)ccc2Cl)OC1(C)C 2241208806 SVHXJERZTZVJGV-UHFFFAOYSA-N 400.693 1.755 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247828482 OILPBYOJOBBGSI-MPBGBICISA-N 418.303 1.448 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181495 OLSPXFXAKYBWRK-CZUORRHYSA-N 409.464 1.320 30 10 HDEE CSCC[C@H](O)CCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281962840 DTJPTPHVHJQSOR-GFCCVEGCSA-N 400.375 1.985 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(N(C)C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282314675 CUTOABHBVKEGIH-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@]1(C)CO 2282341527 UAXQRSXHUZWKKK-SJKOYZFVSA-N 401.359 1.686 30 10 HDEE CC(C)(N)[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282345101 YEJGHPNPRLOWFQ-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CNCC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494955 FOXNMAVRZUBHGZ-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2COC[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282497425 PMIMJHLOOIUCIG-VXGBXAGGSA-N 405.322 1.679 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC(F)(F)CO)OC1(C)C 2282507899 NQCRXLPJWCGLQB-UHFFFAOYSA-N 411.663 1.545 30 10 HDEE Cn1cc(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282594131 AHVFJKHFAJNLIP-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@H]3[C@H](O)CO)c2Cl)OC1(C)C 2282655428 PIWHVYDBHKQYCJ-NWDGAFQWSA-N 401.721 1.659 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNCC1(C)C 2282831437 KFJCLVQEIOOSCS-ZDUSSCGKSA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)C[C@H](C)N 2282832059 IWTDEVXNJZZBCM-FORDYWAESA-N 422.403 1.489 30 10 HDEE C[C@@H]1CCN[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845110 NDTIOCNLGRHNAO-TZMCWYRMSA-N 400.375 1.465 30 10 HDEE C[C@H]1CC[C@@H](CO)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850141 LLTRCPWWJCNDKP-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCOC[C@H]2C(F)F)OC1(C)C 2282860045 UWOPPJKLMFCKIY-NSHDSACASA-N 409.285 1.702 30 10 HDEE CC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC 2282877377 QOHHFZNUUIURTK-GFCCVEGCSA-N 403.331 1.418 30 10 HDEE C[C@H]1CC[C@@](CO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883934 HWJXWYMNBCVHBF-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284430862 AWPIMLPLXPRNOH-PSASIEDQSA-N 401.677 1.361 30 10 HDEE CC#CCN(CC(=O)O)C(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2337839936 BDRBZGLVVNZQJP-LAUBAEHRSA-N 402.447 1.739 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(COC)CC(NC(=O)OC(C)(C)C)C1 2365209818 GVVCRQLHQCNMLY-HVEKOLDVSA-N 402.557 1.721 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2365212296 QZESGEJSUIOIKU-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CO1 2367801444 RWPGXVOUKCWGTL-JYJNAYRXSA-N 400.541 1.604 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7770360 QBMWSJUOUKFSLJ-ZDUSSCGKSA-N 414.911 1.975 30 10 HDEE COCc1nnc(CSc2n[nH]c(N/N=C/c3ccc(C(=O)OC)cc3)n2)o1 20906108 OCVZXFPWTCAQQM-REZTVBANSA-N 403.424 1.859 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCc2ccccn2)CC1 48224384 VMSIBFNBFDZAIY-UHFFFAOYSA-N 416.528 1.720 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(F)cc2Br)CC1 53309781 GIMWFUWCLIZVAA-UHFFFAOYSA-N 414.275 1.413 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 432654339 LAZOLIQHHFWIOK-HNNXBMFYSA-N 401.448 1.547 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 436097197 BNQFGFCMMINPSH-UHFFFAOYSA-N 413.455 1.680 30 10 HDEE COCc1csc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 438570330 VTRXZBJYAITOFQ-UHFFFAOYSA-N 421.504 1.700 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 460556204 RYDJDDBSSMWMEK-GJZGRUSLSA-N 417.601 1.765 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 461161561 SADLTPMGULFFAS-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2ccc(F)cc2)cc1 461676038 VRWUCFOXOXIPQG-KRWDZBQOSA-N 412.446 1.967 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)CC1 474206775 AJFRVVVRAOBVTG-MKMDTPSASA-N 423.538 1.785 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)nn1 480736232 GSIDOMBJBCPNRZ-AWEZNQCLSA-N 407.427 1.242 30 10 HDEE CCOc1ccnc(N2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)n1 480737569 PDVDIZSHUBZJES-UHFFFAOYSA-N 419.482 1.928 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CN2CCCC2)CC1 482149574 JSHFEEYLKLFNAK-MRXNPFEDSA-N 404.536 1.559 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]2CCCO2)c1=O 497578725 MUCZISDIIHZDTO-OAHLLOKOSA-N 414.531 1.331 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1=O 499040059 DGXNULSEIHOIGS-CYBMUJFWSA-N 406.368 1.627 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)c2cccc(C(N)=O)c2)CC1 500389257 LBJPSEJEABDDJJ-UHFFFAOYSA-N 421.482 1.716 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 502320902 UEJMYHOPRNEPAZ-INIZCTEOSA-N 410.478 1.853 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 515100184 SYDZZESCKWGYOH-OAHLLOKOSA-N 414.487 1.322 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCCC1 545366301 IAANZSQCJOSJCZ-OALUTQOASA-N 416.547 1.589 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 549911862 UOLQSAMIGZCHIC-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(F)c1 568741642 RAXIHRNOLJQCDV-INIZCTEOSA-N 423.491 1.580 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2cc(C#N)ccc2OC(F)F)C1 584131693 PYKKCDGINSIXQI-GFCCVEGCSA-N 417.438 1.552 30 10 HDEE Cc1nn(-c2ccc(NCCNS(=O)(=O)c3ccc(C#N)cc3)nn2)c(C)c1C 585457629 ZGJLACYIHXPQJH-UHFFFAOYSA-N 411.491 1.850 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 603798524 MIUXMPQEPYRXGZ-QGZVFWFLSA-N 411.527 1.425 30 10 HDEE N#CCCn1ncc(C(=O)NCCCN2CCCS2(=O)=O)c1-c1ccccc1 617601927 SJDNUZCWAMRGHL-UHFFFAOYSA-N 401.492 1.619 30 10 HDEE COc1nscc1S(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 714377274 ATPWVWSCWBYBQW-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732649873 BCPNLJINNDVOEN-INIZCTEOSA-N 405.524 1.012 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCN1C1CC1 732650391 QAFVJHCEALKGMH-JKSUJKDBSA-N 408.549 1.490 30 10 HDEE CC(C)OC(=O)NCc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 735195898 WJLIUCOLHYPTLC-SFHVURJKSA-N 413.478 1.458 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N(C)C(=O)OCC)cc2)CC1 735864373 ZRKFEGGOVOXPRZ-UHFFFAOYSA-N 403.483 1.731 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1 748064453 SGSQTEIKJDNKHJ-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 748402162 FZESGGOPZKMJHU-UHFFFAOYSA-N 421.453 1.812 30 10 HDEE CCOCCC(=O)[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825565 AITPSMSAZCYMET-QGZVFWFLSA-N 407.492 1.935 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1S(N)(=O)=O 754063226 CCRCDHVYMJLPMY-CYBMUJFWSA-N 408.480 1.228 30 10 HDEE COc1ccc(OC)c2c1CN(CCS(=O)(=O)c1cccc(C#N)c1)C[C@H]2O 754350159 TVXNUZOTDVOEIZ-QGZVFWFLSA-N 402.472 1.898 30 10 HDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 756911667 AHKRJUXYDVSLRR-UHFFFAOYSA-N 405.520 1.524 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2nc(Cl)sc2c1 760852727 GAQLZGOBVBBAEX-JTQLQIEISA-N 404.922 1.761 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 764419808 WIYFJHJBSGULAF-OVZRNVPMSA-N 421.498 1.458 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 766160555 JUOGTBRLVXAXGN-ZDUSSCGKSA-N 407.492 1.305 30 10 HDEE C#CCN(C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774169471 BQCHOERWWBOOJG-QZTJIDSGSA-N 403.504 1.182 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC(C)(C)O)C1=O 774273975 QURXAHCYHKCGGN-INIZCTEOSA-N 424.542 1.986 30 10 HDEE C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCN1CCO 779408167 CARYWJJBZFSEPL-XAIYEJPOSA-N 423.539 1.030 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 780914946 MXUKMDXBEHLBRK-HXUWFJFHSA-N 403.442 1.986 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 781294235 VVQYHCQNJWCLAK-MGPWXQLLSA-N 406.483 1.809 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@H]2CCOC2)C1=O 784124703 KPYBLWLJHHDQPM-SWLSCSKDSA-N 404.492 1.280 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790236168 VLYSNTPRMDPIND-SFHVURJKSA-N 401.529 1.436 30 10 HDEE C#CCN(C(=O)c1nnn(Cc2ccc(F)cc2F)c1C)[C@@H]1CCS(=O)(=O)C1 790479368 GATJOAMOBKDHAR-OAHLLOKOSA-N 408.430 1.176 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC=C(C)C)cn1 790704898 GJDQOKLDVWKPQY-MRXNPFEDSA-N 406.556 1.869 30 10 HDEE C=CC[C@]1(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790811214 LMICKARKKVYFPY-DNVCBOLYSA-N 415.556 1.872 30 10 HDEE CC(=NNc1nc(C)cc(O)n1)c1ccc(Br)c(S(N)(=O)=O)c1 797397942 MGUHUULNSOMWMX-UHFFFAOYSA-N 400.258 1.737 30 10 HDEE CCOc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 797800722 LYBMFWILENVFLE-UHFFFAOYSA-N 414.487 1.428 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(c3ccc(C#N)nc3)CC1)CC2 801293243 ILKOUWLCZOCJDF-UHFFFAOYSA-N 421.501 1.677 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 803699798 QGRPZRPIPVVRKB-UHFFFAOYSA-N 421.453 1.049 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 809801413 VNLLNQHQSOMXKG-USCONSEESA-N 420.506 1.818 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COC(=O)CC2(C#N)CC2)c1 815413846 HFZZVXRBXJVKQA-UHFFFAOYSA-N 423.491 1.901 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)ccc1O 1084042948 ASBZWXRIDSGZER-UHFFFAOYSA-N 402.436 1.966 30 10 HDEE COC(=O)c1cnn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 1125203103 UXMFWSOUJNKXEU-LTGZKZEYSA-N 419.463 1.121 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C1CCOCC1 1131468609 HLVJOJDWKRRNAA-CRAIPNDOSA-N 407.536 1.604 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1131944696 JGNADRHIPPEDNT-OAHLLOKOSA-N 400.447 1.520 30 10 HDEE CC[C@H](C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1135335457 CIMNEOMSIZEWGS-SNVBAGLBSA-N 406.327 1.893 30 10 HDEE CS(=O)(=O)Nc1ccccc1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156247170 HTBPGVNCZBNORY-KRWDZBQOSA-N 413.503 1.970 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1159761199 BSNYWENNEVMXQP-MNOVXSKESA-N 421.338 1.022 30 10 HDEE O=C(Cc1nnc(O)c2ccccc12)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272495 IMQCWZWELYFHPW-UHFFFAOYSA-N 406.398 1.782 30 10 HDEE COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC(C#N)(C(=O)OC)CC1 1190263881 BTPRZAMOUKNELR-UHFFFAOYSA-N 400.840 1.594 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2CC#CCN2C(=O)c3ccccc3C2=O)cn1 1193963321 MUEUVKRHTADTSL-XBBWARJSSA-N 410.499 1.308 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1203383885 AHIAQTUJNLRLSM-LLVKDONJSA-N 418.397 1.958 30 10 HDEE C[C@H](C(=O)Nc1ncccc1O)[C@@H](C)NS(=O)(=O)Cc1cc(C#N)ccc1F 1213424183 GMCRJWQCDCMOHY-NWDGAFQWSA-N 406.439 1.881 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CCC2 1233852151 KDOHLAHACGQCDJ-IMJJTQAJSA-N 415.494 1.821 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H]2C1 1251336651 GHMPOVJDPIULKV-JQOWZUPLSA-N 406.483 1.632 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 1254382814 NHOZJPIURDMXSS-CRAIPNDOSA-N 400.460 1.664 30 10 HDEE N#C[C@@]1(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCCOC1 1264707938 HUZQKRKBQUOWOD-NRFANRHFSA-N 400.479 1.284 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1286274245 NAIZLVYHYOZUKG-MBNYWOFBSA-N 408.528 1.755 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286356973 PEFKVTUMLONFFR-UHFFFAOYSA-N 424.549 1.837 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286371736 CFAQGSARCLQJLF-VQTJNVASSA-N 422.533 1.681 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncc(CC)s1 1286419880 HIVRBNFVGVMORC-CQSZACIVSA-N 420.564 1.418 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(F)c1F 1286464449 BAKXPKAGMNEXGB-INIZCTEOSA-N 403.433 1.836 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(F)c2)CC1 1286489831 COTLVUXVNXQRLF-GOSISDBHSA-N 424.480 1.382 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCn2ccnc2C)CC1 1286489988 JBSRPIHSJKVEFJ-UHFFFAOYSA-N 418.505 1.511 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC(C)C)C1 1286798925 PQBXCRPVYDDKMJ-OAHLLOKOSA-N 413.482 1.231 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1286810472 RRQCXQOPKHFODA-GDBMZVCRSA-N 417.491 1.474 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286821420 KPHXVWUJEAMOFH-INIZCTEOSA-N 409.556 1.184 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)CCOC1 1288322343 PLIUAQNQDFQIHM-NQIIRXRSSA-N 416.526 1.309 30 10 HDEE CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289204500 KMAVLRCNNYWFIM-SGTLLEGYSA-N 408.549 1.815 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)n1 1290632178 COWBGQOEMHZAKX-SFTDATJTSA-N 410.526 1.748 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@]1(C#N)CCCOC1)CC2 1293223510 KPBSEHRCCWVPNE-QFIPXVFZSA-N 415.490 1.805 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1296583984 HKJSBBVHZHKGNQ-VQIMIIECSA-N 423.539 1.105 30 10 HDEE COc1cccc(-n2cc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)nn2)c1 1299947652 IDUZTSABRQDUBL-UHFFFAOYSA-N 411.443 1.701 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300282436 OTQNVYFLFMHNCL-WMZOPIPTSA-N 406.490 1.770 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCN1CC 1300459367 BYHQQWWWCIGBDM-INIZCTEOSA-N 415.567 1.792 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1 1300538618 SUSFLVOYBLYELQ-ZWKOTPCHSA-N 412.515 1.721 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCO2)C1 1301539973 YBFCFXHKZVZLRV-IIDMSEBBSA-N 413.544 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 1301569115 PWJKMFYZSCNPKO-UHFFFAOYSA-N 419.551 1.913 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1301622339 FLEARIKRFPMUEK-HNAYVOBHSA-N 409.556 1.564 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1301735699 CCWRVLBAIJHRJV-HOTGVXAUSA-N 417.934 1.582 30 10 HDEE CC(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301914232 NPQOGDNMDAMHJE-HNNXBMFYSA-N 411.514 1.304 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1301953529 SHFBXNLFZDVLTQ-LPWQTFTOSA-N 407.515 1.454 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1302167629 ZGLQJYBWBSQVBC-GOSISDBHSA-N 412.494 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)c1cc(C#N)c[nH]1)OC2=O 1303806916 SEAYFAGVJOWVSI-CQSZACIVSA-N 402.451 1.949 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1)c1ccccc1 1312941521 ZXXPUKFWJLLWNP-GOSISDBHSA-N 412.515 1.801 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1314823369 KUHDDTUSUOBGCQ-UHFFFAOYSA-N 424.477 1.944 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCOC[C@H]1OC 1358954153 XBAMVBACQHQNRT-VQIMIIECSA-N 400.479 1.987 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cnn2ccccc12)[C@H]1CCS(=O)(=O)C1 1358955175 GDAHRRUGUIIMIS-KRWDZBQOSA-N 412.519 1.724 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960327 BTXVSFQERKQCEQ-ZACQAIPSSA-N 414.535 1.798 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C1CC1 1358973809 GRIABMLGDFECLU-UHFFFAOYSA-N 415.505 1.478 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1358976722 OGIMXTCZQKNTPR-JOCHJYFZSA-N 402.458 1.828 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(C)c1 1359019173 MILIBGAQBOWQPY-AWEZNQCLSA-N 411.553 1.393 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1359098655 DHOAWZBZYMRSIS-AABGKKOBSA-N 419.570 1.922 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359105674 SOCNIFAYZGLZTB-JZXOWHBKSA-N 404.515 1.352 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@H]2OC)CC1 1359181480 UGTIAHZMFSAUNR-QZTJIDSGSA-N 403.527 1.854 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1359197378 MXIHSJTVCSVUPX-UHFFFAOYSA-N 403.531 1.722 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359304877 MJOJWPUHNVHAJL-AEFFLSMTSA-N 424.505 1.183 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1360621525 BNFSQTMFSKLOJT-AWEZNQCLSA-N 414.491 1.646 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)C1 1360783576 MUWVRTCOTNBNLD-IBGZPJMESA-N 418.523 1.531 30 10 HDEE C=CCN(C(=O)[C@@H](CCOC)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1435068959 LRCJFPIFZHKHMA-ZWKOTPCHSA-N 424.519 1.520 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1454223611 VLHQBGYWVNDDKL-JKSUJKDBSA-N 421.457 1.827 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1455702355 GVJMJYMZWZETOE-OLRZCDJHSA-N 411.568 1.348 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cc(C)c(C#N)cn2)CC12CN(C(=O)OC(C)(C)C)C2 1456288941 HUEBCLHFPSXNJZ-OAHLLOKOSA-N 414.462 1.744 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(CC)CC1 1457192811 QPVZIPGNYJYNFQ-LJQANCHMSA-N 401.507 1.387 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1457973067 ZSJHHVUVDYXBAH-AWEZNQCLSA-N 406.508 1.181 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1463788914 ACLOQSULLHNSHV-LLVKDONJSA-N 421.338 1.766 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1)C(=O)OC 1468873214 OEZVQAHNFBVFES-MPGHIAIKSA-N 406.504 1.648 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)CCO2)cc1 1472149210 SNHNAZCHMNTTMZ-LJQANCHMSA-N 411.483 1.908 30 10 HDEE O=C(CN1CC[C@H](c2cc(O)nc(O)n2)C1)NCC#Cc1cccc(C(F)(F)F)c1 1473601068 DWSOLCUIXIBXQR-AWEZNQCLSA-N 420.391 1.864 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(-c3ncco3)c2)CC1 1476257308 XLKWUONJAPZTSV-UHFFFAOYSA-N 403.464 1.267 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2nc(-c3ccccn3)n[nH]2)CC1 1478632741 AQVAGUPQAHTWPU-UHFFFAOYSA-N 406.425 1.909 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1478908619 RZKGEJVBCBHJJB-GFCCVEGCSA-N 418.313 1.971 30 10 HDEE C#CCN1CCC(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1486769684 VUADRSUZQXSUPJ-RMMWZPCPSA-N 401.551 1.356 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493236013 UWBQIUKIEGAGJF-UGKMNXKKSA-N 422.493 1.744 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C1CC1 1505080176 FTZMKAXUEJXWME-ROUUACIJSA-N 416.526 1.658 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)COC(=O)N2 1507572443 JQZXFNZSITZBCM-UHFFFAOYSA-N 402.499 1.689 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1507599795 UFDNUEQFCLJAQT-OAQYLSRUSA-N 417.510 1.811 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631544 QNACTFKOGASXBG-WMZOPIPTSA-N 416.551 1.240 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCSC1 1507708035 GBKGIHVMBLUKGZ-MRXNPFEDSA-N 424.534 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@H]1C 1507713086 XRGCTDJOIRUTAQ-IEBWSBKVSA-N 422.533 1.766 30 10 HDEE C=C(C)Cn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1507836381 JIRCTTKDAMKKSN-GASCZTMLSA-N 404.515 1.903 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C(N)=O)CCOCC2)CC1 1507882320 YYWVWUMOKQUBDR-INIZCTEOSA-N 407.515 1.441 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccco2)CC1 1507884529 JSZWJDOXECFWAX-OAHLLOKOSA-N 419.507 1.360 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507885035 QAPBVKMABQCWDD-GJZGRUSLSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508080834 DXOGQESKNDUZGN-QVKFZJNVSA-N 415.469 1.771 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCC2)C1 1508094361 XNAYLMPCTIGBMA-HNNXBMFYSA-N 407.540 1.253 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1509004906 UAUVMOIMXSSQAI-SFHVURJKSA-N 424.553 1.715 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1515990039 FTBZUIONIXKPAS-QGZVFWFLSA-N 424.553 1.025 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)[C@@H]1[C@H]2CCC[C@H]21 1517044169 VMNNZLYZCMPUCQ-PIIMJCKOSA-N 414.535 1.943 30 10 HDEE Cn1cccc1-c1nnc(N2CCSCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517407394 ZZLLBIIBNDWJOO-VLGSPTGOSA-N 413.507 1.363 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)n1 1520240839 YEUGOOGFSLACJS-SJORKVTESA-N 406.483 1.174 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1528571376 IPKSMBORTQLADH-SOLBZPMBSA-N 420.531 1.836 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1534519679 LZQGLFVJVIGKQA-HOTGVXAUSA-N 408.499 1.470 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1537178482 ZEKLYCCTEJZPGV-CVEARBPZSA-N 413.540 1.999 30 10 HDEE Cn1cnc2cc(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc21 1538096176 BQXYHJSXWKTTDB-KRWDZBQOSA-N 416.441 1.966 30 10 HDEE Cc1cc(F)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538539232 AGPQBUWHPCEGGB-BONVTDFDSA-N 401.257 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1539012831 KRUVOKGSTSNJDH-MRXNPFEDSA-N 410.526 1.436 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C1CC1 1539154485 HQJCWYOOWSRURB-UHFFFAOYSA-N 413.478 1.567 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1539186498 STLVBLOOQCPNSZ-UHFFFAOYSA-N 410.503 1.312 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC=C)CC1 1539470130 YHRMJULKXLXGSM-OAQYLSRUSA-N 401.511 1.471 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1539820351 FMGKMBBIMIENRS-CRAIPNDOSA-N 424.977 1.946 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cn(C3COC3)nn2)CC1 1539832377 TXHPNGQMBCPZKA-OAHLLOKOSA-N 403.487 1.370 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccs2)CC1 1540871743 SHDOBHDJVRKMSW-HNNXBMFYSA-N 402.524 1.472 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1540874232 YZJZQUHKVGEVOO-IBGZPJMESA-N 422.533 1.567 30 10 HDEE CCN1CCC(N2CCC(C(=O)N(CCC#N)CCN3CCOCC3)CC2)CC1 1544336837 HKIDZMXFCDHCMX-UHFFFAOYSA-N 405.587 1.257 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cncn2C)c1 1544401543 NFAWWLZGQBENPK-XNONZUHUSA-N 401.492 1.975 30 10 HDEE CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1547244076 CJKJARAZNUMTQO-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1554320387 ONLLRHJZQIRRAN-QGZVFWFLSA-N 418.523 1.323 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC 1558382963 IRRKKYISLHOMEU-CXAGYDPISA-N 404.385 1.632 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3C[C@H]2C[C@H]3O)cc1[N+](=O)[O-] 1558546309 VLIMOJVUZSLGGO-JKIFEVAISA-N 411.418 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 1558633179 UVEWFQMDPAMOHZ-OAQYLSRUSA-N 402.447 1.645 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CC2CCN(C)CC2)c1 1586952178 KLSQXZAGEAHIFN-UHFFFAOYSA-N 409.552 1.581 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1587184834 BSGPOCBRCIKFBC-NRFANRHFSA-N 412.515 1.958 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587852116 QSDGBLNZRYGPFF-HNNXBMFYSA-N 415.567 1.646 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1587894594 XPBYCUHMVCBPRK-KGVIQGDOSA-N 415.538 1.980 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@](=O)CC 1587932717 ZRXIICKOWGIPPI-HHHXNRCGSA-N 423.564 1.033 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(=O)OC(C)(C)C 1587979381 QICQENKHBKPKPI-UHFFFAOYSA-N 416.482 1.942 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSC(C)C)CC1 1588733502 VSSIPMQZZHOZNB-UHFFFAOYSA-N 413.551 1.822 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nncn2C)CC1 1588857856 UWTFMWGCMLHDKQ-UHFFFAOYSA-N 420.521 1.004 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593671709 OZIDUNLCTKRKQI-RHSMWYFYSA-N 404.442 1.933 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1594713494 CPHSLEXHAKGJDQ-UHFFFAOYSA-N 407.544 1.553 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1594807730 YESIZLWZOTWJMB-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595784861 LQFXDAYTAMRDDG-ZBFHGGJFSA-N 408.528 1.141 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1598084038 OADQPVMOVHDPNR-MNDPQUGUSA-N 417.514 1.136 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1616176385 CMAKZMSIMOSCGX-SFTDATJTSA-N 418.542 1.127 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1616589125 QKDCMYVPYFBMTN-IBGZPJMESA-N 407.426 1.593 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCCOCC2)C1 1616906826 MPHTZACPOGUXCN-UHFFFAOYSA-N 407.312 1.595 30 10 HDEE C#CCN(C(=O)c1nnc(O)nc1O)[C@@H]1CCOc2ccc(Br)cc21 1617601504 SQWQMJJTBGWDEB-LLVKDONJSA-N 405.208 1.645 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CCO1 1618692406 CYICBBSFHIYZBH-DYESRHJHSA-N 410.478 1.337 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1618815661 PSOWDUAFGUIUBK-SJLPKXTDSA-N 423.521 1.538 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)cc1 1619210594 FWSCPKQDIAKQIR-HXUWFJFHSA-N 424.505 1.941 30 10 HDEE COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1 1619882045 MZAPQMMRPQNFQB-UHFFFAOYSA-N 403.556 1.952 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C(N)=O)nc1 1620082487 CVLSYGSFAKVCLH-KMFMINBZSA-N 413.482 1.283 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)CCS(=O)(=O)c1ccc(C#N)cn1 1620484525 ASMOVQPNQSRPKK-UHFFFAOYSA-N 412.512 1.200 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OCC 1622506243 GIBUGHGKDPNSFW-CYBMUJFWSA-N 419.297 1.724 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)cc2C1=O 1624420823 SSSCWGDBMGBBHX-CYBMUJFWSA-N 403.435 1.084 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1cccc(F)c1 1625048726 YUERBWHFCSRERR-UHFFFAOYSA-N 407.423 1.640 30 10 HDEE C[C@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCCS1(=O)=O 1625433145 INPIGALVUUWXDL-LJQANCHMSA-N 419.482 1.481 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3n[nH]cc3C(=O)NC3CC3)CC2=O)cc1Cl 1627680698 AKIVGBMMTIAGQJ-LLVKDONJSA-N 412.837 1.819 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1S(=O)(=O)NCC#N 1628308914 KTONANHNFOSHGD-MRXNPFEDSA-N 414.487 1.303 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 1628350604 FGMCKSNFNCTAAS-UHFFFAOYSA-N 408.479 1.845 30 10 HDEE O=C(NCCN1CCCC1)c1ccc(CNC(=O)c2cccc(C#CCO)c2)cc1 1629319016 IBQRJDNGKPFCPR-UHFFFAOYSA-N 405.498 1.786 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1629731703 BMSJJBSILGODHB-KRWDZBQOSA-N 407.879 1.509 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417842 JORTZZMQDAZPPR-MSOLQXFVSA-N 410.561 1.631 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1634492848 VWOPBKPSNGRTEQ-MRXNPFEDSA-N 409.464 1.287 30 10 HDEE CC(C)CN1C[C@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCN2C1=O 1634674707 ZBAPADIQVSCQHU-CQSZACIVSA-N 422.482 1.341 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1634866151 ZEZLBUOCIOZAGV-ZWKOTPCHSA-N 400.328 1.575 30 10 HDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1636915268 ARYBVAODCXNMTE-UHFFFAOYSA-N 414.483 1.886 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 1638075986 XGAZLBVDQORNDZ-MOPGFXCFSA-N 403.548 1.610 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCN(CCF)C1 1638856574 NJNILFVYZUNBEO-WBVHZDCISA-N 424.542 1.834 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC[C@H]1CCOC1=O 1644090326 UPHKRVMAPFGBIR-HOCLYGCPSA-N 421.519 1.743 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccccc2-c2ccccc2)CC1 1644281771 KLFZTDJDDPRSJQ-UHFFFAOYSA-N 413.499 1.344 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 1644284929 DMUHWKOMJFVYIV-OAHLLOKOSA-N 420.318 1.029 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1644638769 XVFSBIIJASXOPH-KRWDZBQOSA-N 416.547 1.499 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](Cc2nccs2)C1 1647818081 SSZPSZKXIVYYPF-HIFRSBDPSA-N 404.517 1.773 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)CC3(C#N)CCOCC3)CC2=O)C1 1648368704 YVMYJCNPOAROGN-CQSZACIVSA-N 406.483 1.033 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1649539174 CDACMQPIRMSDKK-IAGOWNOFSA-N 413.570 1.958 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1653852114 UVQITOGLIBGOLD-SFHVURJKSA-N 413.499 1.784 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(c1nc(C)cc(C#N)n1)C2 1655850275 JUBWMNXKAQSWFS-LAPQFRIASA-N 401.467 1.939 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1661955161 GTZCJCRMAJFFNT-UHFFFAOYSA-N 412.265 1.788 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1 1665590408 OOUTXMAEPPPHLD-MZRZTIOWSA-N 408.520 1.853 30 10 HDEE N#Cc1cccc(COc2ccc(NC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)cc2F)c1 1668146447 IBOQNFSZXGPCFW-IAGOWNOFSA-N 419.434 1.556 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1670893399 JCAYAUHFIAEFBE-OAHLLOKOSA-N 400.884 1.592 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CCO2)cc1 1670984455 NOBQYHLGQMHXPQ-CMKODMSKSA-N 419.503 1.377 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681517068 XQWCZGVHCBZTPU-PBHICJAKSA-N 404.492 1.272 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 1684867780 CQKVSTKBBCSNMS-IRXDYDNUSA-N 419.526 1.091 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cccc(F)n3)CC2)[C@H](C#N)C1 1686055241 ICUPCZCFXJXKSN-HUUCEWRRSA-N 418.473 1.811 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1689856864 WWGXSFMXYSJXGG-MRXNPFEDSA-N 424.530 1.612 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCOC)cc1)[C@@H]1CCS(=O)(=O)C1 1689982101 HYBOCWBLCOEUTR-GOSISDBHSA-N 418.519 1.287 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1690077383 NMDBPOMPEYBURO-STQMWFEESA-N 408.446 1.607 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C2CC(C(C)(C)C)C2)CC1 1690124065 DSMXITKPGUTADX-WWDZGPRUSA-N 419.595 1.933 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1690124230 HRFZEUAOKFKZQZ-FQEVSTJZSA-N 408.550 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)C2CC2)CC1 1690137371 WJUWYIGTQNCPLJ-UHFFFAOYSA-N 400.527 1.068 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2C)CC1 1690138115 SHMKGDLJNZGUGP-CEQIKUNHSA-N 401.511 1.477 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC)CC1 1690244496 XXEXOTAEXZRBLC-RDJZCZTQSA-N 412.498 1.178 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1690512044 KRCCHMZDTPSWME-UHFFFAOYSA-N 418.523 1.093 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1690810319 XBDUOIMEXQVOJW-ABSDTBQOSA-N 404.490 1.873 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1696414089 MZLMETOTVNDPKR-INIZCTEOSA-N 411.466 1.278 30 10 HDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1697438451 FSCZEDGIONNGEL-MRXNPFEDSA-N 414.441 1.439 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705494310 YCARCMLUPHJNRL-NXOAAHMSSA-N 402.543 1.575 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCC(C)CC2)CC1 1705637924 RGKMADTWZBAUJX-IBGZPJMESA-N 410.570 1.554 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1705642131 IEXGWBFCZXACJU-OAQYLSRUSA-N 418.501 1.829 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cccnn2)CC1 1705708717 GIBGSUHIZMBJEV-PXNSSMCTSA-N 413.526 1.912 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705829202 KHKJMIHXSYBYJM-HUUCEWRRSA-N 417.470 1.091 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705894429 YWEUPQZLFAELJH-BZUAXINKSA-N 411.572 1.901 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccccc2F)C1 1705908353 OQJDJGJDRBFJEG-QGZVFWFLSA-N 403.458 1.834 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N2CCOCC2)C1 1705922513 NXOPPJLOMWXWRN-KRWDZBQOSA-N 412.494 1.289 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1706186106 APXOLILNPUBNJA-NDEPHWFRSA-N 406.556 1.801 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1706594724 DBXOZOQRKFJSGC-UHFFFAOYSA-N 410.544 1.370 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 1709138414 DBFWEMMIASEZNB-DLBZAZTESA-N 414.485 1.718 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)C[C@@H]1C 1711472249 ZLPCNWMNKSCJEA-HNNXBMFYSA-N 420.477 1.875 30 10 HDEE C#CCC1(C(=O)NC[C@@H]2C[C@H](C)CCN2C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CCC1 1719512517 WPRVHIQICSNZAA-JAZQRGJZSA-N 402.535 1.975 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(CCOC)c1 1722275995 CEXFOEAMRKIUCL-JXFKEZNVSA-N 402.499 1.279 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722339956 HUXBSXPCWSWJHG-GOSISDBHSA-N 413.478 1.230 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(N(C)C)CCOCC1 1722379277 YWUHXYZLVDYVFX-UHFFFAOYSA-N 421.501 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@]2(O)CCSC2)CC1 1722449824 QADKRSQGWPHQLN-HXUWFJFHSA-N 403.552 1.064 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1722557484 PANJRPWIAOGBNA-RHSMWYFYSA-N 420.963 1.941 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1722706764 YFNQSAKXMAXJEV-RDJZCZTQSA-N 410.478 1.154 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1722814257 KBJXSGHYSOWORT-SLFFLAALSA-N 424.505 1.462 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nncn2C)CCOC1 1723683322 UUARAGPRLVDMTE-UXHICEINSA-N 414.514 1.626 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1723778655 HPFDNHQJJFKBOY-STQMWFEESA-N 405.471 1.590 30 10 HDEE CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1727353989 AFKBTTQNQYMTJA-JKSUJKDBSA-N 423.539 1.116 30 10 HDEE CCN1CCN(CCCCn2c(C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CC1 1728633491 JUDKTPSHHGETNC-FQEVSTJZSA-N 400.575 1.181 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1729076582 CAFVGKWSXJXSKZ-HOTGVXAUSA-N 408.503 1.704 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1729345739 JNSKCVBESZTZBZ-OAHLLOKOSA-N 410.544 1.194 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1730473255 XXHYAPHQSWDOKB-NQIIRXRSSA-N 413.478 1.474 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)cc1 1731185080 PNUVZSAPBLRZCC-MOPGFXCFSA-N 406.446 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1740651060 XTVQRMXNLCIEKH-UHFFFAOYSA-N 422.485 1.721 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOCC1(C)C 1740661363 ZTVLSEGZSZQSKN-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1-n1cccn1 1740683914 RESOZPFESZVDHR-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](CCC)OC)CC1 1740692219 GQBFXQJLRVIDIU-NQIIRXRSSA-N 405.543 1.501 30 10 HDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C)C(=O)C1 1740710821 DPHBHLXNVRTJAX-UHFFFAOYSA-N 423.340 1.681 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740716243 OLMNJMCGJIOEBT-GQIGUUNPSA-N 419.551 1.370 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1741120673 MSXWCXRYDWZXDM-GOSISDBHSA-N 424.509 1.249 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)o1 1742204296 DTVMSPILSGXYCM-ROUUACIJSA-N 414.510 1.932 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1743781736 FAALZAZUTFNNJZ-GDBMZVCRSA-N 418.523 1.477 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1747338990 CAEJKCXLSSVJOM-UHFFFAOYSA-N 406.512 1.181 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1748689419 CABCVIFHRXXJAU-FYQPLNBISA-N 418.586 1.486 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1748804664 JROPAOVZNLQEER-DLBZAZTESA-N 423.583 1.581 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748824546 QDJNHTAQUHWKOW-INIZCTEOSA-N 408.549 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1748907443 KEKFKZILIDKRHD-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NC(C)C 1748944481 YKEIUKMACZWGTR-UHFFFAOYSA-N 409.469 1.982 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC(C)C)CC1 1749032497 JMPSIGMFWXLFIN-UHFFFAOYSA-N 415.567 1.649 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749141316 YOUBDSMJLHIZCX-QRWLVFNGSA-N 414.510 1.452 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749232957 ZDNDGFJIMGPJPG-MRXNPFEDSA-N 417.539 1.440 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1749386525 IFWSXXOTDUPAMK-UHFFFAOYSA-N 412.542 1.931 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)OC(C)(C)C1 1749659760 JBTYDHPZRYLPGZ-AWEZNQCLSA-N 413.478 1.980 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749676158 GVMJLAWBKHHDSH-UHFFFAOYSA-N 424.427 1.460 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1749682905 CMRRCNMIURJCIK-SFHVURJKSA-N 410.478 1.758 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cn[nH]c2)CCOC1 1751027532 WYULWRYFXCQGMX-VQIMIIECSA-N 401.471 1.013 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CCNC(=O)c1c[nH]c(C#N)c1 1757648663 QABJBRQCYYLNGJ-WQJJYIMCSA-N 400.479 1.152 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C2OCCO2)c1)[C@H]1CCS(=O)(=O)C1 1760181413 VBJNSJAUJFGZKM-SFHVURJKSA-N 416.503 1.307 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760190770 YSBOSQXAPFNYQA-IRXDYDNUSA-N 416.551 1.384 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1760229780 FKSCSBKGBWVISL-SSEXGKCCSA-N 424.534 1.682 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(C2CC2)C1 1760243436 KGLVWIGAFJJRKW-KRWDZBQOSA-N 400.527 1.084 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCC2CC2)CC1 1760256624 QIFBTBQVMZCRSI-UHFFFAOYSA-N 406.534 1.789 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@@H]2OC)CC1 1760261598 UEXNXWGCIBJKHL-UXHICEINSA-N 411.554 1.710 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1760283131 CEXUJGIDUNUNAG-CYBMUJFWSA-N 404.565 1.667 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)c1 1760289533 QAQRYIOXQAQQIM-DNVCBOLYSA-N 419.555 1.247 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760322629 VMWGPDJPFCIJLE-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCCOC)C1 1760366353 XIQIRZMQTWJXNG-ZIAGYGMSSA-N 421.951 1.273 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 1760402844 WGMBBFTXEXVVIJ-MRXNPFEDSA-N 423.583 1.887 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1760448237 ZERHZERIOBMINI-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC[C@H]21 1760526136 FODBAQYOOYVVKE-UONOGXRCSA-N 400.508 1.561 30 10 HDEE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)[C@H](C)C1 1760617518 LIVCNLDBFAMBLK-MRXNPFEDSA-N 422.493 1.710 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1760692556 BJNPRCYRVDJRBO-VXGBXAGGSA-N 422.415 1.877 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCS(=O)(=O)C1 1761076676 FZGMNHIGEMKSBG-INIZCTEOSA-N 417.539 1.936 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccn(C)n2)CCOC1 1761282310 AOQZGDXKCZZHGT-OALUTQOASA-N 403.462 1.542 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cs1 1762284059 MQMDKQFAXRIGLV-HDMKZQKVSA-N 406.487 1.616 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1767607378 IACYHGDYGLIKSI-LAUBAEHRSA-N 412.494 1.441 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@H]1OC 1770303622 AVISQAWZLBDZMY-KDURUIRLSA-N 423.477 1.361 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cc(C)nn1C 1771295651 XPQNEUOADRARQC-QOKNQOGYSA-N 403.462 1.534 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1772567394 FUIJNULJOPLELL-GOSISDBHSA-N 416.570 1.787 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1F 1772891767 DPPUQVRKIGVJJG-KCXAZCMYSA-N 411.441 1.599 30 10 HDEE COc1c(Cl)ccnc1CN(C)CC(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1852164625 VBUQNQJCAHPBGO-CQSZACIVSA-N 417.853 1.806 30 10 HDEE CN(CC#CCNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)Cc1ccccc1 1852570848 XXHPBUYIPVZNOZ-LJQANCHMSA-N 401.507 1.874 30 10 HDEE Cc1nc(=NC(=O)c2cc3n(n2)CCN(Cc2ccccc2Cl)C3=O)c(C#N)c[nH]1 1852627949 ZKIOOTALFUWNRU-UHFFFAOYSA-N 421.848 1.837 30 10 HDEE C=CCN(C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@@H]1CCN(C)C1=O 1852744488 FITVSFKAWSJLSO-GOSISDBHSA-N 414.462 1.692 30 10 HDEE CN1CCN(c2nc(NC(=O)c3nn(C)c4ccccc34)c(C#N)cc2C#N)CC1 1852825828 AUELWQLILDIKAX-UHFFFAOYSA-N 400.446 1.716 30 10 HDEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@H](C(N)=O)c2ccccc2F)CC1 1853512397 WLDIBWWMFDFMKO-INIZCTEOSA-N 407.471 1.421 30 10 HDEE C=CCC1(S(=O)(=O)N(CCS(=O)(=O)N(C)C)C2CC[N+](C)(CC)CC2)CC1 1853579961 WOKLVWPTRYUVBU-UHFFFAOYSA-N 422.637 1.247 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C(=O)C2)cc1 1854032943 QEQSRBFONFQVMY-CQSZACIVSA-N 411.430 1.743 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@H]3CC(=O)N(C)C3)C3(CCCC3)C2=O)cc1C#N 1854294831 QNBLRYWRWSYGFP-KRWDZBQOSA-N 408.502 1.942 30 10 HDEE C=CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@@H]1C 1854312423 OULKTORYZXRRIH-INIZCTEOSA-N 405.520 1.720 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN(C)C 1854538071 UVXWDCYDPMJJDN-INIZCTEOSA-N 405.520 1.783 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)COCc2ccccc2)CO1 1854869268 BEOLLNQUUNXFJY-QGZVFWFLSA-N 402.428 1.623 30 10 HDEE C[C@@H]1CCN(C)c2c(C(=O)N3CCN([C@H]4CCN(CCC#N)C4)CC3=O)cccc21 1855008007 TULSUTMYLKFVQH-MSOLQXFVSA-N 409.534 1.902 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCCN(C)CC3)ccc21 1855032878 IDXPFBHSJNJCLX-UHFFFAOYSA-N 405.520 1.785 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)[C@H](C)C2=O)CC1=O 1855639606 BAHFFZDSYJEMTH-WBVHZDCISA-N 415.490 1.298 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(F)cc3)C2)CC1 1855887664 DSCVSWXCTPRDCY-INIZCTEOSA-N 407.449 1.903 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)C1 1857412797 SGAQXMCEIFPHDO-KRWDZBQOSA-N 414.481 1.905 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)c1cncn1C)C[C@H]2c1nnc(C)o1 1857625065 RUFUKEWZBDWMJC-KRWDZBQOSA-N 424.505 1.763 30 10 HDEE CCc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858316674 KVAMRDDDXLNLHG-KRWDZBQOSA-N 419.528 1.862 30 10 HDEE CSc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1860733863 WNGGEGMTPWXJFK-IZZDOVSWSA-N 404.513 1.997 30 10 HDEE Cc1ccc([C@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867601024 JDFYPYHKHWHGNM-KSSFIOAISA-N 414.487 1.866 30 10 HDEE C#CCOc1cn(CCN(CC)CC)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870561722 AFSCVCVXXZDJPL-UHFFFAOYSA-N 423.561 1.919 30 10 HDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCC(O)CC3)ncnc21 1873593410 PEAQRKCXZDJXHH-UHFFFAOYSA-N 400.527 1.650 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2Cc1ccco1 1875231794 DDNQSKJMFFMCNP-UHFFFAOYSA-N 410.478 1.421 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 1892360753 ULVZYHRONFEADG-UHFFFAOYSA-N 419.397 1.411 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H](CO)NC(=O)OC(C)(C)C)[nH]1 1900333051 GSHOOHINSNYKDG-OAHLLOKOSA-N 407.320 1.409 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1984026676 UQFRFSZKSLZYQC-UTUOFQBUSA-N 411.318 1.449 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C#CBr)C1 2006220722 OUGQWAPJWBYEEO-LBPRGKRZSA-N 402.289 1.222 30 10 HDEE Cn1nc(CN=C2N[C@@H]3COC[C@@H]3CS2)c(I)c1Cl 2117762988 HNIHLVQSYMAEAH-HTRCEHHLSA-N 412.684 1.886 30 10 HDEE C#CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 2180095828 XFWHYJBHARKNJU-HZPDHXFCSA-N 400.541 1.822 30 10 HDEE COC(=O)CS(=O)(=O)N(C)[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186601438 DRBLMSJMKYAUPI-LLVKDONJSA-N 403.331 1.543 30 10 HDEE CC1(C)OB(c2ccc(NS(=O)(=O)CS(C)(=O)=O)c(F)c2F)OC1(C)C 2239855277 MKQXCIPAPYGVEU-UHFFFAOYSA-N 411.257 1.008 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C(C)(C)O 2243675389 VZHUDJMOYQPYAR-FQEVSTJZSA-N 410.320 1.792 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243685849 CPUYIRFMWLYBAK-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2243687338 WEXMWLIRMVLMQL-OAHLLOKOSA-N 410.320 1.910 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2244226567 YJNSGSHBVIBQEU-AWEZNQCLSA-N 402.494 1.205 30 10 HDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247826213 QAITXCGJTRAFDM-TZMCWYRMSA-N 420.319 1.694 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258152263 BHIWHGRBBOKKET-WBVHZDCISA-N 408.476 1.431 30 10 HDEE C[S@](=O)CC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267712135 BWNDMUMYRZUJMJ-DEOSSOPVSA-N 405.372 1.046 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC(CC#N)CC1)NC(=O)OCc1ccccc1 2270523174 ZSQCFERPWPXGRF-QGZVFWFLSA-N 423.491 1.410 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNCC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282310042 OJQIRRJIYJSLDV-WCQYABFASA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCNCC34CC4)cc2Cl)OC1(C)C 2282318055 XWWACBDADPHLLN-UHFFFAOYSA-N 418.777 1.827 30 10 HDEE CO[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282411056 ZZMUHXUFEBWIEW-RYUDHWBXSA-N 403.331 1.048 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@H](N)C(F)(F)C2)OC1(C)C 2282488367 APULVVZRNRLZBD-GFCCVEGCSA-N 408.301 1.404 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](O)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282499016 MESKMDAULBSTHF-ZDUSSCGKSA-N 403.375 1.959 30 10 HDEE C[C@H]1CC[C@H](N)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507908 NTSOQVMVAAQOON-JSGCOSHPSA-N 400.375 1.689 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282596619 CFZKAFGYRQFBNQ-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]2(C)CCCNC2)OC1(C)C 2282831073 DVEQMDZPTFHPAY-MRXNPFEDSA-N 401.363 1.004 30 10 HDEE CCNC(=O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282834296 RSMVBOQXOAUSAZ-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](C)[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282872307 UXARCQKSDXPNQF-FORDYWAESA-N 421.415 1.709 30 10 HDEE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878181 BXAOHCWLYDYSKA-NSHDSACASA-N 402.347 1.050 30 10 HDEE C[C@H](CCN)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2283998899 CHUKPKRUXDHXPX-GFCCVEGCSA-N 403.379 1.237 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 2296627860 RVXGKJCNZMJRHB-SFHVURJKSA-N 411.462 1.175 30 10 HDEE CCOc1c(Cl)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1OC 2323028605 ASZOKIHVCPJAPQ-UHFFFAOYSA-N 412.855 1.887 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CS(=O)(=O)[C@H]4C3)sc2Cl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n1c(=O)c2ccccc2n(Cc2ccccc2C#N)c1=O 4906777 WOWRMYAPLYZICV-UHFFFAOYSA-N 420.469 1.626 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c1 29898954 LSTOGIQRCQJRPB-CQSZACIVSA-N 403.508 1.960 30 10 HDEE CC1(C)C(=O)N(c2ccc(C#N)c(Cl)c2)C(=S)N1CCCS(N)(=O)=O 35968242 DSIHXMZSDDJEHM-UHFFFAOYSA-N 400.913 1.602 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1 46618856 PEPACFKWCUVPGV-UHFFFAOYSA-N 413.503 1.672 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 97973691 UXZCDTDGPVVXFM-LJDYLOLGSA-N 420.502 1.323 30 10 HDEE COCCNC(=O)c1c(N)n(N=Cc2ccc(O)c(O)c2)c2nc3ccccc3nc12 254305435 HVXOUDWPBDFRBZ-UHFFFAOYSA-N 420.429 1.836 30 10 HDEE CCOC(=O)c1cccc(NN=C2C(=O)N(CCO)N=C2c2ccc(OC)cc2)c1 254844348 KAQLVULHSKDGSY-UHFFFAOYSA-N 410.430 1.879 30 10 HDEE Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 303724923 SMKPLQWTDURGNN-LJQANCHMSA-N 402.462 1.381 30 10 HDEE CN1CCC(C/N=C(\N)N2CCN(C(=O)OC(C)(C)C)CC2)(N2CCCCC2)CC1 304786576 IMGRFLYXHWFYFG-UHFFFAOYSA-N 422.618 1.804 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 409462412 AIMCJZUSTXBKGV-LBPRGKRZSA-N 406.368 1.714 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)n1cnc(C#N)n1 409751553 PXDYXYZBZDFLCO-BXUZGUMPSA-N 404.377 1.624 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCO)[C@H](C)C2)n(Cc2ccccc2)c1C 426492824 AAVCAAVFUNRCTP-QGZVFWFLSA-N 409.534 1.962 30 10 HDEE CN(C)c1ncn(-c2cccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)n1 441749325 FOUDBMMVVBNEMZ-UHFFFAOYSA-N 417.477 1.954 30 10 HDEE CSC[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 460283940 WACXYXSTHNBCEI-FGTMMUONSA-N 415.515 1.960 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(S(N)(=O)=O)CC2)CC1 460834678 BWHOHDQSMNNHBG-UHFFFAOYSA-N 407.496 1.106 30 10 HDEE COc1cccc2c1nc(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)n2C 474790123 YROBLKBKZDMEAV-LBPRGKRZSA-N 413.459 1.759 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 477515546 MUZKXKDRRIPOGZ-UHFFFAOYSA-N 416.565 1.685 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1)C(=O)OC 481608434 MRDJAEQNLBLDNC-QGZVFWFLSA-N 419.459 1.356 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 482170013 LNJQEUPVGXGEQB-KBXCAEBGSA-N 412.471 1.147 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N 489441559 TUAJQHXLBXQEOK-AWEZNQCLSA-N 415.393 1.999 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@@H](CO)c3ccccc3)n2)cc1 494281628 GMUAOQCUNOMIHN-SFHVURJKSA-N 404.430 1.029 30 10 HDEE CCN1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)[C@H]2C1 502578696 ZIXUCQIEEPJDNA-RBUKOAKNSA-N 405.520 1.699 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(F)cc2I)CC1 503645542 WRVLYZNSIQESNR-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)CC1 508316164 XFQAFFPJKNBMSI-UHFFFAOYSA-N 422.470 1.111 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1nnnn1C 508819546 ZMGZJIGZKSMZHG-UHFFFAOYSA-N 401.862 1.207 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCC2CCS(=O)(=O)CC2)CCN1Cc1ccccc1 511568109 SRCLUWDEAOTKBO-LJQANCHMSA-N 404.536 1.621 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 515661126 HOPOCLPXZOUHBU-UHFFFAOYSA-N 400.463 1.894 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(S(N)(=O)=O)cn2)CC1 538487843 AYMKAAUXPUDMKE-QGZVFWFLSA-N 419.894 1.405 30 10 HDEE C[C@@H]1[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC(=O)N1Cc1ccccc1 547378477 UGJUSMOGANRXSW-RDTXWAMCSA-N 409.494 1.627 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC(=O)Nc3cc(C(=O)O)ccc32)c1 547903293 WTGWLFMVHJVGPS-UHFFFAOYSA-N 415.427 1.448 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NCCCN(C)S(C)(=O)=O 549201862 PLESNOQUYHSOIE-UHFFFAOYSA-N 424.910 1.233 30 10 HDEE CCN1CCN(CC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 552111502 DQAOJNJUYQNRDK-UHFFFAOYSA-N 413.501 1.152 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2)c(F)c1 553237139 SKHRJMOAUKPWKS-MRXNPFEDSA-N 420.510 1.550 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(F)c1 609256743 FXSTYTREKSZLMG-UHFFFAOYSA-N 424.432 1.953 30 10 HDEE COCCOc1cc2c(cc1C=NNC(=S)NCCc1ccccn1)OCO2 726423677 OYCKJZXVBYQDNH-UHFFFAOYSA-N 402.476 1.876 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 727159621 NWMVVGCEENKMOT-HOCLYGCPSA-N 421.519 1.551 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccoc2)c1=O 727416677 XIJKLLVDGDWGMS-UHFFFAOYSA-N 405.545 1.531 30 10 HDEE C=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730137409 FTORZERFTUSDEI-KRWDZBQOSA-N 417.535 1.830 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cc3ccccc3nc2OCCC)CC1 731629626 GUYFCCKQHUUGLZ-MDZDMXLPSA-N 420.513 1.930 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C)cc1 734963657 LZDGAIDWKDRACX-IEBWSBKVSA-N 413.455 1.591 30 10 HDEE CS(=O)(=O)CCn1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n1 743211715 XUWGVVXAXXVQAI-UHFFFAOYSA-N 417.491 1.875 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCc3nc(C)nc(C(F)(F)F)c3C2)CC1 758476018 WSOMPWYZVZTBHF-AWEZNQCLSA-N 408.424 1.897 30 10 HDEE Cc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1S(C)(=O)=O 759787738 OFYBBYKVNLRSRQ-UHFFFAOYSA-N 407.473 1.076 30 10 HDEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 761679157 PTPPQBSMLZHZIN-IAFNSTAXSA-N 406.483 1.666 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cc(N2CCCC2=O)ccc1F 766986218 PCMULEWUTPXHEC-UHFFFAOYSA-N 417.418 1.951 30 10 HDEE C[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H](C)CN1C(=O)OC(C)(C)C 772854210 DODWTTDJFLDFHS-YQTDRKPDSA-N 406.483 1.759 30 10 HDEE COc1nc(C)c(Br)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 777140598 ANEVZFNKGJUSCO-SQFISAMPSA-N 409.240 1.417 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 780921064 SEFZKCUYDKXISH-FQEVSTJZSA-N 412.877 1.710 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCc2cnn(-c3ccccc3)c2)cc1C#N 786121089 UCHGDHKCPQQHMA-UHFFFAOYSA-N 403.442 1.728 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)NC1(C#N)CCCCC1)CC2 786797928 NAJCUMNTYJJVLB-UHFFFAOYSA-N 415.490 1.948 30 10 HDEE C[C@@H](CN1CCOCC1)NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 787753988 DYUIKFBCOOXTIK-HNNXBMFYSA-N 412.515 1.740 30 10 HDEE COc1nccnc1C=NNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1 792928253 NKCWHNABVQNPOH-KBPBESRZSA-N 404.496 1.993 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCCOC2(C#N)CCOCC2)[C@@H]1c1cncn1C 809081359 HSLBIOUYJZZDFR-VQIMIIECSA-N 418.494 1.742 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2cc(C)ccc2C)n1 811472114 WNSURYTWMOJHDZ-UHFFFAOYSA-N 418.519 1.087 30 10 HDEE C#CCONC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 812781745 DLZDYTZMSIFODE-LLVKDONJSA-N 417.281 1.201 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cn(C)nc1C(F)(F)F 816294970 UMUFUGZLJZXZHC-SECBINFHSA-N 402.354 1.583 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 916694494 IYNXOZSPDQGFOP-GJEKEPIOSA-N 408.480 1.526 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl 917925737 LPUGWEAGEZKTEK-LBPRGKRZSA-N 408.904 1.278 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1147044915 MFPXJMWSOVPGIR-USXIJHARSA-N 409.508 1.093 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N(C)CCCO)CC3)n[nH]2)c1C 1153005434 GBZMRJGSVOGJKV-UHFFFAOYSA-N 400.527 1.995 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1153858817 KSSKTDJHDLAKAO-ZIAGYGMSSA-N 410.515 1.572 30 10 HDEE C=CCC1(O)CN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)C1 1154866651 NLONKXYJJHSHQX-UHFFFAOYSA-N 405.499 1.922 30 10 HDEE C=C[C@H](C)ONC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1164414740 UNFVCKLNYNTDKR-ORAYPTAESA-N 400.472 1.957 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccccc2cc1C(=O)OC 1185675831 YSGSEHWFMHVUMH-MRXNPFEDSA-N 421.496 1.437 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccccc2OC(F)F)c1=O 1189869417 VUEVFTUXSFVDLH-UHFFFAOYSA-N 407.373 1.873 30 10 HDEE CCOC(=O)C[C@@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1193032624 FSFAEFGMULEXPW-SJORKVTESA-N 410.312 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1198086292 ZUGCENVWVMRVQX-SNRMKQJTSA-N 413.540 1.009 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)CC1 1198386681 GWAWUNSVLBOMDD-KSZLIROESA-N 405.543 1.372 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1212392054 DNPONACXRBJCNV-LBPRGKRZSA-N 404.282 1.678 30 10 HDEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CCOCC1 1214874867 ZCZNHWXZTHKABY-LJQANCHMSA-N 420.535 1.173 30 10 HDEE C=CCN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H](C)COC 1221821739 UDQDAXDQMDPGDI-MSOLQXFVSA-N 418.542 1.515 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCc2nnc(S)n2C2CC2)[C@H](C#N)C1 1233852416 KQBFVHYBHCXYKS-DGCLKSJQSA-N 421.527 1.502 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(Cc2nc(C3CCOCC3)no2)CC1 1251528740 RVONZCIIVBGFGN-UHFFFAOYSA-N 403.527 1.883 30 10 HDEE CCOC(=O)c1sc(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c(C#N)c1C 1264025874 AITTVVVLTORGIF-LLVKDONJSA-N 401.448 1.830 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1286275540 RLOKUZKGHOCJLH-LBPRGKRZSA-N 407.316 1.982 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286315300 WEOIAWVVAHWMKD-QGZVFWFLSA-N 409.494 1.834 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286344178 PMGPFEQWSCYRLR-KRWDZBQOSA-N 422.489 1.840 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1286473099 ONICGBCARWBIKW-QFIPXVFZSA-N 408.550 1.633 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1286767132 GNVFZEPONFMEHG-UHFFFAOYSA-N 412.538 1.748 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC(N)=O)c2ccccc2)s1 1292636448 REZYOBHQEXXFNQ-UHFFFAOYSA-N 407.517 1.664 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(OC)cc(OC)cc1OC 1293145728 AUKHCWSDPICKEU-OAHLLOKOSA-N 401.467 1.838 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 1297777912 DSFPIBIGEYPWJU-GOSISDBHSA-N 414.535 1.992 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1299273736 FMJQLUGFYAVOFR-QGZVFWFLSA-N 409.494 1.705 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300381679 IDDYVWIDYDFALH-UHFFFAOYSA-N 412.473 1.183 30 10 HDEE C#CCCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424201 COLSWIPAEZEBLQ-SFTDATJTSA-N 404.511 1.728 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1 1300512219 OQXWNDLENSFLDY-QFIPXVFZSA-N 409.490 1.843 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCOCCS(C)(=O)=O 1300572177 QTGCFAXATKESRR-UHFFFAOYSA-N 418.494 1.608 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H](C)COC)CC1 1300697523 DORISFHXEFGZQG-INIZCTEOSA-N 421.505 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(C)C)CC1 1300725749 JKOMIQBMAOYFBM-GOSISDBHSA-N 402.543 1.088 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1301271278 QSNNJBFWSNHEOB-JOCHJYFZSA-N 420.602 1.967 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1301475301 PJIMPMMSJKRCTR-LNLFQRSKSA-N 420.558 1.225 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301506264 IDADEXNMRNJMQC-KRWDZBQOSA-N 423.521 1.061 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1301506326 IXHOOOLVDWRFMS-UHFFFAOYSA-N 424.427 1.460 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CCc2cccnc2)cc1 1302999939 IDTBTVMRFYBVRI-UHFFFAOYSA-N 422.514 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cn1 1312612511 LHYYVOURSOAADU-WFASDCNBSA-N 411.300 1.854 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1316157345 QPLRIHUWNNJUQK-IIBYNOLFSA-N 415.494 1.662 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC(O)CC2)CC1 1316534551 GHVLDSLPYIZTOF-SFHVURJKSA-N 402.543 1.759 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1355064739 DNJJCAADXRGCJB-AWEZNQCLSA-N 404.854 1.865 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC#C)CC1 1358924530 ZWAAPNWPDYFJIH-UHFFFAOYSA-N 401.478 1.089 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359125956 AKGWMCQSWSEVLR-QGZVFWFLSA-N 418.542 1.602 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359228435 CVDUVHFBHNNDQA-DLBZAZTESA-N 416.482 1.847 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCNS(=O)(=O)c1ccccc1 1359230315 NKJBXGGINYRAJR-UHFFFAOYSA-N 406.512 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359299223 YWSPNQYTFHTYIB-ZIAGYGMSSA-N 416.482 1.312 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)SC)C1 1359314300 YUASZIZOSILLBK-BFHYXJOUSA-N 403.574 1.421 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1c1cccnc1 1360313309 MBSWJSMUIVTEIU-RTWAWAEBSA-N 423.448 1.339 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1360471175 CNKDVUJDJFSDTO-HMWBCQRISA-N 408.466 1.548 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCCC1(C)C 1360671023 BDMYKRMEXUHNOX-AUUYWEPGSA-N 424.571 1.569 30 10 HDEE COc1ccc(SCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1439612766 ICOTZSWAERIVMT-UGSOOPFHSA-N 410.517 1.583 30 10 HDEE CN(CC#N)C(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1442637698 DPJJIWGQLIJXLO-UHFFFAOYSA-N 413.272 1.731 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1455942044 QHGRZBOCEOFQOE-UHFFFAOYSA-N 402.476 1.051 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CO)c1ccccc1I 1456986709 MKWNGKAYLYYSER-CABCVRRESA-N 416.259 1.912 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 1460608254 SSTOVDJYKPEVAG-HSZRJFAPSA-N 409.534 1.800 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21)c1cc[nH]n1 1468096253 ITFKPZWRBPRIDF-LLVKDONJSA-N 410.352 1.915 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)c2cccc(C#N)c2Br)CC1=O 1468670517 NXGYOAVPLREHGP-CQSZACIVSA-N 423.311 1.230 30 10 HDEE COc1cccc2c1OCCC[C@@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1471218814 YEDAKRXGYPRGOB-RFUYNDQBSA-N 405.476 1.489 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(c2ccncc2)CC1 1472583620 BIFAMHNYPGQDPI-MRXNPFEDSA-N 413.503 1.359 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1475192246 GYVQHAUIAUNIOF-INIZCTEOSA-N 422.304 1.956 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)C1 1478621801 BJRUXRYXVRWVEC-JPYJTQIMSA-N 423.517 1.808 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1494280933 XBZUZRIRUNDAAJ-MYDZZUQKSA-N 423.477 1.480 30 10 HDEE CCc1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1498202373 GODVNTMNUSIZLG-SJKOYZFVSA-N 424.527 1.689 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[C@]2(CCOC2)O1 1504886994 PUKSCIJDEZSPSP-OXQOHEQNSA-N 400.483 1.978 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1505120479 GGSNIUPPPBEPNB-HUUCEWRRSA-N 409.512 1.216 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507622893 MSOCZACETNMJEE-GDBMZVCRSA-N 404.540 1.509 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1507719363 NKDPQTSGFYSCKB-FGZHOGPDSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1507728287 QCDKEKKBESZTDO-FQEVSTJZSA-N 400.571 1.343 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(O)cc2)CC1 1507734263 SWIDWEPIKGIUAE-UHFFFAOYSA-N 424.505 1.136 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCOC)C1 1507753339 FGJDFYISJDCOLA-HZPDHXFCSA-N 407.540 1.227 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507756166 KRWVBQWPVAFRAS-HNNXBMFYSA-N 407.565 1.500 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccco1 1507770014 FPLSGZVDKSVXOG-OAQYLSRUSA-N 410.478 1.416 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@@H]1C 1507809875 XSFNJBNCJARVRU-MLHJIOFPSA-N 421.542 1.650 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1507935273 OMAORYCJOIDPKT-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC2(CC1)COC(=O)N2 1508075875 BPHNXYCQIFOKCV-UHFFFAOYSA-N 400.439 1.228 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1519260254 PWXMWVDTDDYNRJ-ZIAGYGMSSA-N 402.455 1.182 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1519277198 LWYIYPCZZQZLDR-UAOJZALGSA-N 420.489 1.455 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)C(F)(F)C(=O)OCC)C1=O 1533845750 PUPYZAYTXZVENY-CQSZACIVSA-N 423.372 1.019 30 10 HDEE Cn1ncc(Br)c1CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1538547550 KFZSAUJRWIPECH-UHFFFAOYSA-N 402.296 1.941 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1538761087 PYNNIPCMYOOQFH-KBXCAEBGSA-N 404.448 1.205 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539063537 RDFXQTOULRDJGE-UHFFFAOYSA-N 418.505 1.897 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cc(I)cc([N+](=O)[O-])c1 1539432398 JRESBDNQWISTIM-ZDUSSCGKSA-N 402.192 1.773 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539446891 LLLNCSAFYQXZID-GOSISDBHSA-N 414.554 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)C(C)(C)C)CC1 1539469032 MWBWTPZNIRFTDZ-INIZCTEOSA-N 416.570 1.920 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540036372 MMGXTSQNCYHQKS-MJGOQNOKSA-N 400.527 1.941 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1540169488 FBIPVQVLANQZLT-QWXGXRTQSA-N 412.581 1.660 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)C(C)(C)C)CC2)s1 1540659074 RZJKLEHJQAIHIJ-UHFFFAOYSA-N 413.565 1.472 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1541815635 NTVBZKLDYORRMA-CRAIPNDOSA-N 410.478 1.774 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1541991742 JZHOWRYNBCGQTA-FCEWJHQRSA-N 422.555 1.541 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](OC)c2ccccc2Br)CC1 1542894935 SMDLWORRXOWTMZ-GOSISDBHSA-N 422.323 1.420 30 10 HDEE C#C[C@@H](CO)NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1556796401 WWMRWOBGADXFOI-VIFPVBQESA-N 403.158 1.773 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1 1557384267 LMVXMOFNGHWBJC-QGZVFWFLSA-N 405.414 1.509 30 10 HDEE N#Cc1cc(C(F)(F)F)cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1 1559115168 PCGPJLUQDRPNEZ-UHFFFAOYSA-N 419.411 1.925 30 10 HDEE C#C[C@@H]1CCCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1559947328 PZPFCFIPQQHWEL-HZPDHXFCSA-N 419.526 1.044 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C)C(=O)OC 1561640905 VILAZWGJIZOSFN-LBPRGKRZSA-N 417.281 1.559 30 10 HDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)CO1 1564690560 UBZLWELKCGVJAN-TWSMVNEUSA-N 412.490 1.685 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1565157098 YIIIARMCQAULQX-MSOLQXFVSA-N 408.543 1.751 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565629597 DABBRGQBDBCTDO-MSUUIHNZSA-N 403.236 1.506 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)n1 1568521901 NIFQAKJAAMYUSQ-MRXNPFEDSA-N 419.482 1.161 30 10 HDEE C=C[C@H](C)ONC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1583408456 NFWHJFHXWNTZOG-NSHDSACASA-N 419.297 1.706 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1584786952 FUQNSEYYCBUKHW-OAHLLOKOSA-N 416.279 1.909 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nc(Br)c2ccccn12 1585295876 IFCGTFPVGVTJEF-NTCAYCPXSA-N 404.224 1.353 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)c4nccnc4c3)C[C@H]1CS(=O)(=O)C2 1585660519 NPFMTFAOMKNNCH-MEDUHNTESA-N 421.276 1.403 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587766814 ZCTLGIIOIZLDQS-IRXDYDNUSA-N 414.510 1.448 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H]1CN(CC(C)C)CCO1 1588149334 NYYZFTSZTCCEJX-OAQYLSRUSA-N 406.534 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1588228092 ANNYPJSMVREXGX-QZTJIDSGSA-N 421.492 1.601 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCOC1 1588254201 RVXPJULFGIFTPY-HSZRJFAPSA-N 424.501 1.870 30 10 HDEE C=C(C)COCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OCC)CCOC1 1593769498 OJRBABGJJJZKOI-FQEVSTJZSA-N 417.514 1.443 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2noc(CC)n2)CC1 1594193545 REODPAKYFVNUSA-ZDUSSCGKSA-N 423.543 1.479 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1594943170 MICUAATYJAVRPV-UHFFFAOYSA-N 410.482 1.612 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1595537507 RZRMEQYXSFMFTI-UHFFFAOYSA-N 404.515 1.905 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3ccnc32)C1 1595664797 KFQYAKBUPHGUIO-DLBZAZTESA-N 413.526 1.972 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1611301916 CLHBRZICHCOYSD-GUYCJALGSA-N 407.478 1.302 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)Cc2ccc(C)cc2)s1 1616318067 ZZJQQYICCZXLEF-MRXNPFEDSA-N 408.545 1.783 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C1CCN(C)CC1 1617454760 SYRXUILPRYEOBH-GOSISDBHSA-N 403.548 1.643 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)C(=O)OC 1617949494 FHLDBIRCKMNWBN-KGVIQGDOSA-N 416.474 1.896 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1619317532 HXIIAIQISWAFLX-VLIAUNLRSA-N 414.441 1.586 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCCO 1620101901 DEOGDQDGGVIJID-ZWOKBUDYSA-N 407.515 1.531 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1622295053 JDFCPIFAPZFUGE-ZWKOTPCHSA-N 420.554 1.448 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1622385161 PLLMCGCSAXKJED-QHRIQVFBSA-N 405.476 1.622 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCCN1CCCS1(=O)=O 1623872692 QYIDMGIPLIQTRM-UHFFFAOYSA-N 400.298 1.405 30 10 HDEE C=CC1(CC(=O)NCC(=O)NCCN2CCCCCC2)CN(C(=O)OC(C)(C)C)C1 1625369321 YEGVPGWUVXVOIF-UHFFFAOYSA-N 422.570 1.908 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1626911955 JJRGFJZSLBLHIS-UHFFFAOYSA-N 418.500 1.012 30 10 HDEE C[C@@H](C(=O)NCc1ccc(OCC#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1627859558 YJMXFVOZSDMIJY-HNNXBMFYSA-N 416.478 1.673 30 10 HDEE N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CCO1 1628104739 BVERWJWKFRXNNA-UONOGXRCSA-N 413.521 1.038 30 10 HDEE C=CC(C)(C)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1628795919 VZSQHKWFVOKJBL-UHFFFAOYSA-N 415.556 1.682 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1 1629014199 BKFDFPRZDDCHGA-UHFFFAOYSA-N 420.535 1.252 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1632449462 YYHDYJAXRSWBAX-UHFFFAOYSA-N 418.874 1.821 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cn2ccnc12 1632880613 VFCMEHZAPFYAHT-SSZFMOIBSA-N 404.224 1.353 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1635732423 CAEXTPJSXQUKRX-NRFANRHFSA-N 412.582 1.580 30 10 HDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)O1 1636143019 YVKIYFUMRXTZQQ-PKOBYXMFSA-N 401.463 1.959 30 10 HDEE C=C[C@@H](C)ONC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1636607109 RJGRGYOLKXBUCQ-QGZVFWFLSA-N 404.511 1.577 30 10 HDEE C#CCOc1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1640954240 ZMHGNNQYBROTOX-HNNXBMFYSA-N 411.483 1.832 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)NC)s1 1641974951 LDDOMEAALPNEDW-CYBMUJFWSA-N 415.537 1.492 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccncc1)C(=O)OC(C)(C)C 1642009684 BYZODUBCGOXMSO-IAGOWNOFSA-N 405.451 1.033 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)c1 1643093122 VZSRSFHKOLHLDZ-HXUWFJFHSA-N 411.527 1.911 30 10 HDEE C#CCN1CCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1643133907 BVTPXVSLTVOLLV-UHFFFAOYSA-N 413.522 1.530 30 10 HDEE COC(=O)C1(O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1644205516 GDJYLNSAJGEORK-INIZCTEOSA-N 415.446 1.139 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1644857202 XPABXXDSUIABIT-WGSAOQKQSA-N 403.548 1.610 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1645781646 OCVDZULBLULTNS-MRXNPFEDSA-N 407.511 1.440 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(c4ccc(C#N)cn4)CC3)CC2)o1 1647861392 VMZBEVIVBFNCDP-UHFFFAOYSA-N 419.489 1.650 30 10 HDEE O=C([C@H]1CC(=O)N(Cc2ccco2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035664 HYBHTAIRQZYQHJ-AWEZNQCLSA-N 411.414 1.532 30 10 HDEE COC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 1652072734 CADUXEPRCWBMID-HOCLYGCPSA-N 409.508 1.063 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)CN1CCC(Nc2ccccc2C#N)CC1 1654381088 PICFFJWTEFGFOQ-UHFFFAOYSA-N 410.478 1.983 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1654754758 GYYOCQNBAPYMJW-IAGOWNOFSA-N 402.495 1.367 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@@H]1C(=O)OC 1655867031 WLBRFEZXLWGDFE-KFWWJZLASA-N 419.503 1.771 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3C[C@@H](C)[C@H](CS(N)(=O)=O)C3)c2C#N)C1 1656303363 PQRRUNAPCFVOJU-MJBXVCDLSA-N 424.592 1.930 30 10 HDEE C=CCOc1c(Cl)cc(CNCCN2CCN(S(C)(=O)=O)CC2)cc1OC 1657141425 ZRTXKJMVBUHOGM-UHFFFAOYSA-N 417.959 1.580 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(C[C@H](O)COc1ccccc1C#N)CC2 1657576784 DWCCPZKVXLGUIT-KRWDZBQOSA-N 401.488 1.659 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1659159462 LCPKJFJATGFJMZ-GHTZIAJQSA-N 419.547 1.828 30 10 HDEE COC(=O)CNC(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1660442529 UKJGVODGMJZBEH-YUMQZZPRSA-N 412.277 1.769 30 10 HDEE CN(CCCO)C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1662291793 BLVTYBHRHFTSEU-UHFFFAOYSA-N 416.341 1.788 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)C1 1666053216 ITKUMOSPMDLBSB-LLVKDONJSA-N 405.854 1.953 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1670709388 HGYBRLIDPKLJTO-GUDVDZBRSA-N 424.519 1.370 30 10 HDEE CC1CCN(C2CCC(NC(=O)NCCn3cc(C#N)c(O)nc3=O)CC2)CC1 1679354008 APUDSZTXUIHQRL-UHFFFAOYSA-N 402.499 1.163 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(C2CCOCC2)n[nH]1 1687278937 UHFBHXOJVCRQOU-UHFFFAOYSA-N 411.510 1.844 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1689824471 QNBLNJKUZMCINT-OAHLLOKOSA-N 415.519 1.424 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1689887155 QLOWOBKOWYOTNW-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689928473 OUZOEWWMNRWRED-SFHVURJKSA-N 424.480 1.744 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccco1 1689953830 AQLUAPWMDVYVBO-HXUWFJFHSA-N 404.434 1.491 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689975098 JZEOOYIVKWBFIP-OAHLLOKOSA-N 421.498 1.347 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1689988594 SFFVCENESWOPRD-FUHWJXTLSA-N 405.568 1.514 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689990473 PAYRSGQFUAMLEO-AEFFLSMTSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1690026806 MBOBJGKNNYAZKM-UHFFFAOYSA-N 421.910 1.133 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690674864 IIZKRKOPUVIUTO-PKOBYXMFSA-N 413.522 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C)C1 1690726919 QKWZGNJQOWUWOV-QGZVFWFLSA-N 420.535 1.726 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690733928 QUKKZGVFDGCQFE-AWEZNQCLSA-N 415.585 1.349 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CCO1 1690958491 VVKNNUHJTJASII-HXUWFJFHSA-N 422.489 1.505 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1692660652 YXADCUFHODMONI-DOTOQJQBSA-N 408.514 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705580042 BWQMKCKGMILJRL-UHFFFAOYSA-N 420.498 1.401 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCc2ccccc21 1705587672 DXBYFRXRQKFUJV-HSZRJFAPSA-N 405.502 1.713 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NC(C)C)CC1 1705634406 UTVVSXFEOKBBQW-UHFFFAOYSA-N 400.914 1.878 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705803994 LSLVLLQUCKCDFG-UHFFFAOYSA-N 407.544 1.553 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)CC1 1705908363 ADDSERQCEGDZSV-HKUYNNGSSA-N 420.558 1.082 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cnn(CCOC)c2)C1 1705922505 NTUVDNANNFTSLL-KRWDZBQOSA-N 410.482 1.408 30 10 HDEE CC(C)N(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1706551065 YFPUFQYCDLJODF-OAHLLOKOSA-N 415.498 1.465 30 10 HDEE CCc1nnc(N2CC[C@@H](OCC(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709096837 AOIPTVSQGFSCAL-RAJOGRCSSA-N 402.499 1.618 30 10 HDEE COCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1712389215 KLDFMEQNRYHLNL-HNNXBMFYSA-N 417.466 1.736 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1712703074 PQEWWPRCAWXCJQ-UHFFFAOYSA-N 415.479 1.258 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(COC(C)(C)C)on1 1722352373 OMRLGLULSCCOGB-CQSZACIVSA-N 421.523 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCc2ccccc21 1722371745 XXAFCFQHCVCDIO-HSZRJFAPSA-N 403.486 1.421 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC(F)(F)CO1 1722420975 JFSJDEHARCBJPX-CRAIPNDOSA-N 414.453 1.440 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)[C@@H]1CC 1722506065 DKJSNEDZMRZPFB-BDXSIMOUSA-N 403.527 1.868 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(=O)NCC)CCC2)CC1 1722568994 IWNLXKVTDVEUSI-UHFFFAOYSA-N 400.527 1.863 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1COCCO1 1722678450 QZYGEQADKLCCDL-INIZCTEOSA-N 402.451 1.728 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)C1 1722717486 BBQCBZIQOWJSRC-WBVHZDCISA-N 420.539 1.052 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H](C)CC#N 1729203585 GEBHOHICHJGXEZ-CQSZACIVSA-N 419.507 1.889 30 10 HDEE COCc1nc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cs1 1730538330 CKZKXXGUBNQWMO-MRXNPFEDSA-N 411.491 1.644 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740549985 OMVGPGASSKRVBV-DBVUQKKJSA-N 422.533 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)F 1740559552 QHSFHVLXHOVOJB-CYBMUJFWSA-N 407.421 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740644429 FWWDCTGRZWHMHA-RTBURBONSA-N 414.554 1.379 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740693705 IXCBUFCRJQRPDS-NRFANRHFSA-N 423.565 1.452 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N[C@H](C)CC)CC1 1740697691 COBIZADFFMSBMJ-QGZVFWFLSA-N 414.579 1.990 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1740799508 NQXURLRQXSDUNV-OAHLLOKOSA-N 416.530 1.700 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)CCS(C)(=O)=O 1740817635 NQXCKNKDQTWUMV-KBPBESRZSA-N 406.936 1.626 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740961814 ZCGLKFOAAKZJGA-CQSZACIVSA-N 402.465 1.852 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1F 1747572089 FIMOXHXRTLVJFN-GDBMZVCRSA-N 413.457 1.211 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1748045964 OZTPECORTNUDEY-OAQYLSRUSA-N 404.478 1.665 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC1CC1 1748657458 BIHIBJCBYUPZGB-AWEZNQCLSA-N 416.503 1.957 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCN(C)C1 1748780374 VIRMUHCDUHBEPZ-GOSISDBHSA-N 404.312 1.844 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC(=O)NCCc1ccccc1 1748889840 HJEXRFJPHDSMAO-FQEVSTJZSA-N 405.502 1.604 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)cc1OC 1748959176 ONQXFXGOUMEGIW-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C)CCCC2)CC1 1748972233 DCTKFGUBNQFSMK-MRXNPFEDSA-N 408.572 1.224 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CC)CC1 1748994254 WECXAVCGGXBFGD-JOCHJYFZSA-N 407.522 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCC(C)CC2)CC1 1749014792 OJHQHEIDDVXWKQ-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCn1ccnc1C 1749049056 HXPWMHAODBYDKN-GOSISDBHSA-N 407.478 1.811 30 10 HDEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCS(=O)(=O)NC)CC1 1749347317 NKRROMMERRTBEO-UHFFFAOYSA-N 423.514 1.948 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749677018 KYGUWCCAGJVMOG-IBGZPJMESA-N 416.507 1.264 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749733735 AXGYHXQPJVDQRI-ZDUSSCGKSA-N 409.478 1.514 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCSC1 1760118156 ZDJNQBYFCWXPDM-RLFYNMQTSA-N 411.597 1.075 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1760124048 OBPFGDDELNGRBU-HNNXBMFYSA-N 421.498 1.490 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1760289316 NUUUARAYNSCIOS-FUHIMQAGSA-N 422.599 1.612 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760445259 FFOCIOBNXHJAKT-OXJNMPFZSA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760523829 IWVOOKSQRLFIBM-UHFFFAOYSA-N 424.571 1.098 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760527242 PSOWTLGUNNKQBF-QGZVFWFLSA-N 423.583 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760550640 FIVFZYKMCMTUIL-UHFFFAOYSA-N 424.615 1.182 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760554126 SEELNKIHXQHYMB-ULQDDVLXSA-N 421.567 1.989 30 10 HDEE Cn1cc(-c2nnc(N3CCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1767457694 NOERVDYTFIZGJS-HTXNQAPBSA-N 410.482 1.585 30 10 HDEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768033151 DPEPIBKCYUWNFH-INIZCTEOSA-N 424.509 1.029 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)cc1 1768530606 BFNOEEOFWNQMOX-GOSISDBHSA-N 400.483 1.261 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1770356454 QGQCFBWLEZYTII-HNNXBMFYSA-N 424.914 1.267 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1770637108 HPBMWFSQVGCWPE-BAEHRGANSA-N 413.457 1.604 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@@H](C)O[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1771176860 WRLUZVUGIVVMBL-IIDMSEBBSA-N 419.482 1.755 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CCCC2)nnc1N1CCCOCC1 1771564409 IAZHKXZBQNRKDF-VXPUYCOJSA-N 414.510 1.764 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1850014948 VYWBZQZVKYWFSZ-GOSISDBHSA-N 411.955 1.955 30 10 HDEE Cc1cccc(C#N)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1851990865 MLVFNIOZDFKOTE-CYBMUJFWSA-N 404.414 1.914 30 10 HDEE C=CCOC(=O)[C@@H](CC(=O)N[C@@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1 1852068076 RKRJUMCGFOVOOO-MOPGFXCFSA-N 424.501 1.768 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)c(C#N)c(C)[nH]1 1852886225 ZKZUHFUQEJJKPZ-SNVBAGLBSA-N 403.801 1.871 30 10 HDEE Cc1oncc1CN1CCCN(C(=O)CCON=C(N)c2ccc(F)cc2)CC1 1853415150 IGNSMPYQICPSPB-UHFFFAOYSA-N 403.458 1.884 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CCN(CCOc3ccc(C)nn3)CC2)C1=O 1854335254 TYRMJFJXFMPOCW-GOSISDBHSA-N 401.511 1.265 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)C1 1854658572 IXTFSDSUJBRYLI-HZPDHXFCSA-N 404.536 1.862 30 10 HDEE Cc1c(Br)cccc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854873115 ZGBXFVKLUVGOGU-NSHDSACASA-N 414.281 1.284 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1855060063 KMUYKZWWNUZCNZ-GOSISDBHSA-N 411.568 1.321 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855740091 NZYTXKZBKKBQTE-DOTOQJQBSA-N 400.479 1.074 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@H]4CCCO4)C(=O)C3)C2)s1 1856277924 CDXNODMGWPYSEP-HZPDHXFCSA-N 402.520 1.434 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3cc(Cl)ccn3)C2)C1 1856411005 VSPLUZIPNVPKQV-ZDUSSCGKSA-N 411.849 1.754 30 10 HDEE CCN(CC(=O)N1CC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)C(=O)OC(C)(C)C 1856548362 MHPRTXRJLNTMFD-JKSUJKDBSA-N 404.511 1.997 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)C(=O)C1(C)C 1856767292 DIQZVZJKMLARAY-OAHLLOKOSA-N 411.466 1.183 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1856869190 YRCWRWHUYDIWCV-PKOBYXMFSA-N 402.539 1.099 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857076992 TVVKBBDSEXUXGG-LPHOPBHVSA-N 417.481 1.688 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2=O)C1 1857111952 NPQCNOYOQBDNEI-XLIONFOSSA-N 404.426 1.147 30 10 HDEE C#CCOc1cn(CCCCCO)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871005816 AGGXFJIINJQPTA-UHFFFAOYSA-N 423.469 1.861 30 10 HDEE CN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C#N)c(F)c4)CC3)nn2)CC1 1889403065 OLJSWUXWQMWDTK-UHFFFAOYSA-N 409.469 1.202 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)n1 1889404615 HUKVZLHYBVIZCR-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1892069818 QSXFRGZCBIEIEF-OAHLLOKOSA-N 422.514 1.384 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 1901464648 HFUSTBLAXFJHEN-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE N#C[C@@H]1CN(c2ncnc(I)c2N)CCN1Cc1ccccc1 1983728225 GGOQRYVIXAQGKD-CYBMUJFWSA-N 420.258 1.878 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2010397604 LUGSYGKSTVIBIP-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N(CC1CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 2174781417 FSDJNFVZAZCNKG-MRXNPFEDSA-N 401.529 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783313 AXNYRMXQDLMBJX-OAHLLOKOSA-N 401.529 1.873 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2174789306 PDYBLKIXGUMSQB-CRAIPNDOSA-N 401.529 1.824 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C(F)(F)F)C1 2193223560 FPKUKLBGGJGAJN-JYJNAYRXSA-N 402.442 1.729 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2196369874 XYYQBTPUKMZJOQ-CABCVRRESA-N 400.545 1.996 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2243702447 OMTDHCFQWJAKQC-HIFRSBDPSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245269552 YRLRCZVNKLYYOT-XEHSLEBBSA-N 409.292 1.026 30 10 HDEE Cc1c(C(=O)N(C)CCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247773256 HBYAITPOSACTOT-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE CON(CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247907024 UPRRTYJQEYYOSN-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2248028288 HVKRRTKWVMIFLS-UHFFFAOYSA-N 419.331 1.962 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258172650 ZPRQBNDSUFLUTI-ZBFHGGJFSA-N 411.480 1.266 30 10 HDEE CN(CC1(Cl)CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267470117 FXEMXLAJCPVZJG-UHFFFAOYSA-N 406.766 1.975 30 10 HDEE Cc1sc(C(=O)NC(C)(C)CS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281953859 QCTVAYGAWLPSGJ-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@H](C)CS(C)(=O)=O 2281974257 DMDWGERZQADOGN-SNVBAGLBSA-N 402.347 1.256 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC(C)(C)[C@@H]1O 2282300510 HFOMQQMOFXTHLF-BXUZGUMPSA-N 401.359 1.793 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(CN)CC1 2282307964 KPQVAGDDSHARSZ-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CCCSC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282332748 GIOBEJTXLLRIIU-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@]1(C)O 2282335604 ROMPRIXMPBJSAZ-YVEFUNNKSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CCCO)C3CCC3)c2)OC1(C)C 2282341662 VYVJBXQTKYIFPH-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCNCC3)s2)OC1(C)C 2282342989 NNAWIJOPXKDIHE-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE C[C@H]1NCC[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282416237 SNCBAYCHAGDGGK-IAQYHMDHSA-N 400.737 1.668 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@H](F)C[C@H]2CN)OC1(C)C 2282506702 WJLQTKQDBONWRQ-OLZOCXBDSA-N 404.338 1.248 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCc3nnc(CO)s3)c2Cl)OC1(C)C 2282662563 CJVCIGATQNTCPF-UHFFFAOYSA-N 415.733 1.975 30 10 HDEE CSCC1(C)CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282834926 YYIHQSNOCUOGFY-UHFFFAOYSA-N 418.415 1.957 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@]2(C)CCO)OC1(C)C 2282840485 NLYCFNLKJMZIMO-KRWDZBQOSA-N 401.359 1.724 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282848128 JLWKIFLMQXDANV-GFCCVEGCSA-N 400.375 1.653 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CCN 2282848341 MLAATIXPVRSNHM-STQMWFEESA-N 400.375 1.653 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282867634 BLWMIAZIHLFTRN-UOXLDJKESA-N 402.347 1.120 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(C(=O)O)CC1 2284403360 PEAXKJGIDKWDDF-UHFFFAOYSA-N 401.315 1.499 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2C[C@@H](CC(=O)O)C2)OC1(C)C 2284403579 REITVFYQKNYSCN-PHIMTYICSA-N 401.315 1.579 30 10 HDEE CCC(CC)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284403616 RPBRYHGOJGYQAU-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE COC(=O)NC[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2286132620 ZRHZGDHBFJPWSH-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@](NCC#CBr)(C(=O)O)CO2 2305997060 ZHKVEWRKKNKIHI-HOTGVXAUSA-N 403.273 1.555 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2C[C@H]2CC(=O)O)OC1(C)C 2360943262 FIYNRYHPZZRRSV-WDEREUQCSA-N 401.315 1.436 30 10 HDEE COC1(C#C[C@@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362769867 BPCXJLDKJUDKHY-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 2367826433 YKEBYKCKHMULTB-XHSDSOJGSA-N 402.557 1.457 30 10 HDEE COC1(C#C[C@@H](O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)CCCCC1 2379867383 USTYJVQYZZILPT-OAHLLOKOSA-N 401.525 1.734 30 10 HDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nccs1 20291912 FKTQDAIBTRNMPG-REZTVBANSA-N 419.452 1.533 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C 23636394 JMHJQXGDNRBOJH-RYUDHWBXSA-N 419.434 1.467 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 29011507 AISVZCRFCLGXBQ-SFHVURJKSA-N 406.486 1.786 30 10 HDEE COCCOCCOCCOc1c(N)cc(C#N)cc1I 124931212 DYQSVTNRVSKCJA-UHFFFAOYSA-N 406.220 1.803 30 10 HDEE COc1cccc(CN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254484408 OGQINTPIGCDVSF-UONOGXRCSA-N 412.489 1.157 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)CC1 429353514 KIJFTWUPSYZBNZ-INIZCTEOSA-N 412.494 1.351 30 10 HDEE CC(C)Oc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 429951515 ULUWNSANXRNIIX-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)CC1 434715701 AWSKPXODMSXJJY-UHFFFAOYSA-N 403.483 1.024 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 438951589 UCODNROVSREECW-KBUPBQIOSA-N 412.851 1.325 30 10 HDEE C[C@@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 447172810 AZZCQGDYTQUVEI-AWEZNQCLSA-N 410.927 1.529 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)o1 471189610 AHQBVFKAZOUUDP-INIZCTEOSA-N 415.515 1.272 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 472306762 UOAJPKUWTCWPKX-AWEZNQCLSA-N 422.463 1.259 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 474459331 JZWVSNYKOMSCNW-QGZVFWFLSA-N 421.505 1.742 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)cc1 503454595 ODKIXEQAGOYUFU-WOENDVBCSA-N 405.479 1.725 30 10 HDEE Cn1nc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc2c1=O 504196206 SYSPMVAWMBFABF-IBGZPJMESA-N 415.453 1.659 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 505647028 QTNYTRGETSZGKC-RNIPGJKVSA-N 407.470 1.667 30 10 HDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)NCC)CC1 508843964 GYBVHLUPNUSOGD-UHFFFAOYSA-N 407.522 1.881 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 522388623 CAFBQJOZIUZKEB-FQEVSTJZSA-N 420.469 1.604 30 10 HDEE N#C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CC1 524571538 GXVAZHDIEVRCRB-TZIWHRDSSA-N 402.454 1.918 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)o1 526018402 JOVHXZVMRHWMPW-UHFFFAOYSA-N 410.478 1.619 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 530905509 VNAJKJMUXPDBAG-OAQYLSRUSA-N 413.566 1.440 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543656199 AHLZGZJZTUBBDP-UHFFFAOYSA-N 410.455 1.094 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 553886414 KZMRRRFKBYWJQN-HOCLYGCPSA-N 415.446 1.895 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccoc3)n2C[C@H]2CCCO2)CC1 555397986 AQGTXCPJRJPKMQ-QGZVFWFLSA-N 400.483 1.141 30 10 HDEE COc1cc(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)ccc1C#N 563275966 ZNSWRDIYBJPEFZ-FQEVSTJZSA-N 413.455 1.938 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(F)c1 567322969 QVMNRDBDZYYIBU-UHFFFAOYSA-N 417.462 1.789 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)Cn1nnn(C3CC3)c1=O)CCCC2 570857090 BYZVLHMSNHYPBK-AWEZNQCLSA-N 411.466 1.144 30 10 HDEE CCOC(=O)C1(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)CCOCC1 572038717 LULRNCWRJBFWRW-AWEZNQCLSA-N 406.435 1.753 30 10 HDEE COc1cc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)ccc1C#N 575913687 FTNWUBYTARSSFV-UHFFFAOYSA-N 416.455 1.818 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 578553266 QTAUWANPSYUBJE-UHFFFAOYSA-N 401.485 1.027 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 583275379 CJBCOOUFCCAIKO-OAHLLOKOSA-N 414.514 1.390 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 611545279 ZEQHDKSSJVDQLX-UHFFFAOYSA-N 411.480 1.623 30 10 HDEE C=CCOCCNC(=O)C(=O)N1C[C@H](C(=O)NC(CC)CC)Oc2ccccc21 679532155 JEJSAQUYHFCHRN-GOSISDBHSA-N 403.479 1.404 30 10 HDEE CC1(C)OB(c2ccc(CC3CC3)c(S(=O)(=O)N3CCOCC3)c2)OC1(C)C 725447278 UVOMETMDZIJCDL-UHFFFAOYSA-N 407.341 1.959 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(CCC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729332728 WAORMGICNKYYMZ-PKOBYXMFSA-N 402.516 1.641 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CCN1C1CC1 732665202 VMRMLITXIBMJQL-NJAFHUGGSA-N 402.495 1.167 30 10 HDEE COC(=O)[C@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C#N)cc1 740002983 ZUSGCHGXXKOCKN-OAHLLOKOSA-N 419.425 1.924 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2C2CC2)C1=O 742215331 UZUDYRHBYUJKQA-ZDUSSCGKSA-N 403.443 1.415 30 10 HDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1C#N 747446846 JTISHLNOWOBHCK-UHFFFAOYSA-N 401.444 1.192 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(C#N)cc1 756219110 HITUWQIKYQHBBF-HRAATJIYSA-N 407.382 1.684 30 10 HDEE C#CCN(C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 759871700 WEMRUJHHGFOUHC-SJORKVTESA-N 402.476 1.494 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760405024 JQASSGUMYOXQII-AUUYWEPGSA-N 424.523 1.407 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(c2ccc(F)cc2F)CCOCC1 761161206 VZHKFHNIKODMTG-ISLYRVAYSA-N 405.401 1.656 30 10 HDEE Cn1ccnc1[C@H](O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 764739731 GTGNWDPDVWGVRR-QGZVFWFLSA-N 406.450 1.850 30 10 HDEE CON=Cc1ccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 770280713 MXSFGADSERFQKO-QGZVFWFLSA-N 410.492 1.495 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 774199376 JOLUQLCCXHFUCU-UXHICEINSA-N 403.548 1.383 30 10 HDEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 777467345 LXLZFVIIGQHOAB-INIZCTEOSA-N 417.535 1.361 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 781076257 IAFSMXOPNZPCJE-KRWDZBQOSA-N 424.523 1.717 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 781648060 CEOUROIRCZKYML-KRWDZBQOSA-N 411.527 1.690 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785727553 GZSKYMVVSOKJMQ-UHFFFAOYSA-N 400.460 1.199 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 785962330 LVONJMZBVZTBOV-LLVKDONJSA-N 413.411 1.056 30 10 HDEE C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(N2CCCC2=O)cc1 787779187 VVLCPPLKPULZNJ-HNNXBMFYSA-N 420.473 1.486 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)n1 790104752 VUYNOCHGIOWUAX-MRXNPFEDSA-N 408.524 1.801 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC#Cc2ccccc2)[C@H](C)O)cc1C 791243881 XMNFFQJKZZSKRN-PXNSSMCTSA-N 401.484 1.926 30 10 HDEE C#C[C@@H](CCC)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 791746174 YBFXLHNWMHRFRX-ZDUSSCGKSA-N 415.309 1.721 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 795973227 VXJVKDLWGWRUAD-UHFFFAOYSA-N 419.530 1.197 30 10 HDEE Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)cc1 798352392 QRVBFQVIOGRUQG-MLJKTZRHSA-N 410.459 1.872 30 10 HDEE COCCN(C(=O)/C=C/c1ccccc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 799832999 RXRSPKHYGZPQJM-CMDGGOBGSA-N 411.462 1.752 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2C1=O 801290614 IGSHQWXWXKCGEF-UHFFFAOYSA-N 401.426 1.698 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cn1 802030848 ULVFZYWYRLNJOQ-UHFFFAOYSA-N 402.432 1.563 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812180503 KLKVQCCQDCMPHG-FQEVSTJZSA-N 424.549 1.946 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(-c2ccc(C#N)cc2)n1 1127993595 GNSAVUANNAONSR-UHFFFAOYSA-N 420.473 1.830 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOC3CCOCC3)C2=O)cc1 1134006771 JVRAHACLHFZNNH-KRWDZBQOSA-N 400.435 1.075 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1134279945 SXLBZWBHCYIOKN-QPAVJXABSA-N 423.535 1.420 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNC(=O)N2CCCC2)c1 1136281975 VJKHPUBJUKFVSA-LTGZKZEYSA-N 407.496 1.243 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 1152967466 HXWPEADVJYOUNM-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE Cc1c(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cnn1CCC#N 1153608233 BOXYKSZJIUABTO-UHFFFAOYSA-N 416.507 1.439 30 10 HDEE C#C[C@@H](NC(=O)CNC(=O)CNC(=O)OC(C)(C)C)c1ccc(Br)cc1 1159634641 OXYKPDJUOSDOCR-CQSZACIVSA-N 424.295 1.881 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C(=O)OC 1161365052 NTLQUOSIPQGKRB-NZHZHZHDSA-N 404.488 1.380 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc3ccc(C)cn23)s1 1162311559 OBCIORPPUMQUTR-UHFFFAOYSA-N 405.505 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nc(SC)ncc2I)CC1 1163145144 JJTZQRYZHCKORY-UHFFFAOYSA-N 416.288 1.769 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)c1 1165614320 HROXLPOZLBRACT-NRFANRHFSA-N 408.389 1.922 30 10 HDEE C[C@@H](CC(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1171787317 AEFVPYVYTHJFCL-MELADBBJSA-N 421.519 1.740 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cn(C3CCOCC3)nn2)c(=O)c1C#N 1183324358 HONBRZKWUNNBJG-UHFFFAOYSA-N 421.255 1.426 30 10 HDEE Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1184023573 SSKZCJHFZMHBOX-UHFFFAOYSA-N 404.478 1.929 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3nc(COC)ncc3C2)c1 1193529726 MBXMUGYLJSHAIA-UHFFFAOYSA-N 402.476 1.286 30 10 HDEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)nc1I 1195417461 PEDKHLFJRVARHO-UHFFFAOYSA-N 400.220 1.366 30 10 HDEE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198071401 IQKKEPICUCZNAQ-MMPTUQATSA-N 412.855 1.445 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CC1 1228205019 WOTZNPXLNQTHCJ-HSZRJFAPSA-N 423.517 1.808 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)nn1 1252076636 KLBQRISGCXLPBQ-UHFFFAOYSA-N 420.514 1.776 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1253353899 CXRFHPCPVXBSSE-IAGOWNOFSA-N 407.511 1.437 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1254635533 DHVLSTHUIUGZMB-HOCLYGCPSA-N 404.463 1.869 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1255375833 IYDSEOBVDHPYFB-PLINVYDWSA-N 419.503 1.817 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1277884266 BHYKYRYZMOFBBV-LBPRGKRZSA-N 402.501 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1conc1COC 1286414861 BSDFKKCMTZRLPK-UHFFFAOYSA-N 416.441 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286437113 IAFAJVOSELOCJH-WMQCIHAUSA-N 404.511 1.728 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2)N2CCOCC2)CC1 1286478976 MWOHMQPBZLXDOT-NRFANRHFSA-N 408.550 1.669 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1286495727 CZMQANZJJSJHDW-STQMWFEESA-N 403.599 1.196 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1286507638 BBVUULKGXJEWHP-AWEZNQCLSA-N 414.622 1.878 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286723260 JQPHPBLYUHOLOM-UXHICEINSA-N 424.549 1.856 30 10 HDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cn1 1286893292 BJJFPPGUAONLAY-UHFFFAOYSA-N 417.477 1.582 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286950104 BTCOTXZRNQAILL-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287141585 YDKAICONWOXABJ-SJLPKXTDSA-N 415.542 1.121 30 10 HDEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289207820 VWRKCRCNJFSSGR-XOBRGWDASA-N 400.456 1.883 30 10 HDEE Cc1ccc(OCCN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1289845561 GLWBLNKFMMDTSK-VXPUYCOJSA-N 410.478 1.937 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[C@@H]1COCCO1 1290859913 ZHSKNNYNSGLNBT-MRXNPFEDSA-N 400.458 1.729 30 10 HDEE C[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1291205857 OZDSFUZLRGVBST-RYUDHWBXSA-N 410.525 1.343 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@@H]1CCS(=O)(=O)C1 1291929328 PUDMTXWNNXDHTB-UXHICEINSA-N 400.544 1.938 30 10 HDEE C#CCN1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1293715735 LHQIZHMSCQMZLM-QGZVFWFLSA-N 402.882 1.713 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCO[C@@H]3CCCCO3)C2=O)cc1 1297421803 UBXSASJZSUDECW-PKOBYXMFSA-N 414.462 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)CC1 1298229238 AUDUDXRDALPSEU-INIZCTEOSA-N 415.494 1.847 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3nncn3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1300148024 YDOKPWOEDDNEKO-UHFFFAOYSA-N 411.315 1.385 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OCC 1300274892 ZUTCGOONEJVPDF-CVEARBPZSA-N 419.551 1.988 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300412299 UUXMFXIYMPQTAM-AZUAARDMSA-N 400.571 1.879 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1300455424 IVNGDRCICKFWGL-QFIPXVFZSA-N 422.489 1.457 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1300471804 PNIFJNGTRAJSOV-LJQANCHMSA-N 421.423 1.920 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1300755215 ONSCQJNVQCOPJE-UHFFFAOYSA-N 402.524 1.371 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300848839 JJOVWFMBPBZDEC-RTXFEEFZSA-N 419.345 1.296 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1300892912 WJJJAVQBAVMROX-LJCCNALRSA-N 419.526 1.232 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301827396 HCVABJAOEQHOKT-LJQANCHMSA-N 401.492 1.478 30 10 HDEE COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1302207206 VXLSMGQFYDLXBZ-UHFFFAOYSA-N 404.515 1.697 30 10 HDEE C#CCN(C(=O)CCC[C@]1(C)NC(=O)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656392 VYLODAVPAXAARN-NRFANRHFSA-N 420.510 1.616 30 10 HDEE C=CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1OC 1304460016 FQOPMRAIYHXFJM-CHWWFWEZSA-N 422.503 1.201 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1 1309154736 MGPMIFZOCVCVOX-UHFFFAOYSA-N 403.548 1.765 30 10 HDEE C#CCSCCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312050213 QHYBLOGUOCJYSK-CQSZACIVSA-N 411.524 1.404 30 10 HDEE CCOCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1314453472 LIMJWMJSJACNPW-CQSZACIVSA-N 402.455 1.551 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1358884247 MCVYHGMUULGSDL-CQSZACIVSA-N 413.507 1.093 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1358927579 CHKRZUGINKFUNQ-KRWDZBQOSA-N 411.510 1.570 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358944612 ACTJCIHPZZYMKM-SJLPKXTDSA-N 414.535 1.614 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1358948621 GSQFZKFHUJIWLB-CQSZACIVSA-N 409.537 1.200 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCc2nccn2C1 1358969967 BBLYWUAMTNZOOY-CVDCTZTESA-N 422.533 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccs1)N(C)C 1358981747 WBEZKFAMXIURKF-KRWDZBQOSA-N 410.547 1.838 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1359039233 AILMGWXDTMXDRT-NQIIRXRSSA-N 403.527 1.298 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCS(=O)(=O)CC)CC1 1359040724 FEJANFPFSIBEFJ-HNNXBMFYSA-N 409.556 1.192 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCOC2)C1 1359062414 HNQSROFDBPYOSB-ZWOKBUDYSA-N 406.552 1.985 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1359137573 TVMRIFVKTFQBLL-JKSUJKDBSA-N 413.544 1.240 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359302718 REHYBDROOAKTSA-LJQANCHMSA-N 409.538 1.631 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CO)c2)C1 1359324614 OPORPXPCKUEQBO-IBGZPJMESA-N 411.506 1.722 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1359473459 CLGDFSMVYMGPDR-PMPSAXMXSA-N 417.539 1.235 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(Cl)cc2)n2cccn2)C1=O 1435409249 QQZLONDANXNKJX-OAHLLOKOSA-N 415.837 1.219 30 10 HDEE N#CCOc1ccc(CC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1437635070 VCQIXWSAYJNIIK-BGYRXZFFSA-N 403.438 1.775 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)CCS2(=O)=O 1439953124 VYIKDQLDNJDUKC-VMBJYNEYSA-N 411.867 1.235 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 1443138114 MKMOFDJXJLOZRU-DNVCBOLYSA-N 419.445 1.138 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1443534630 GTXIYVBMVSFIDV-QCSQODBISA-N 404.467 1.419 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1449168553 ZJYOOEIARHFZLO-HQSKLWIPSA-N 420.554 1.493 30 10 HDEE C=CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1449227648 SVPAKVFDGGGDIJ-HNNXBMFYSA-N 404.488 1.841 30 10 HDEE CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1450398540 FISBGUUNPAJKFI-AEFFLSMTSA-N 406.552 1.852 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(F)cc2F)c1=O 1459213487 ZPMYMADQENITSM-UHFFFAOYSA-N 420.372 1.140 30 10 HDEE N#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1464759993 CAWXXLWEVYELBD-XLIONFOSSA-N 411.433 1.549 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCSc3ncnc4[nH]cnc34)C2=O)cc1 1467706243 GHJRYGPWRDXKPD-HNNXBMFYSA-N 421.486 1.624 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)CCC1 1473828624 DAXJYBRPJNLYTB-HXUWFJFHSA-N 406.504 1.502 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(CC1)C[C@H](O)CNC2=O 1473852256 PWTUBBOCAZXEGJ-STQMWFEESA-N 402.520 1.398 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1479059856 HGKHKFIBSDDNMB-ROUUACIJSA-N 405.520 1.591 30 10 HDEE CCc1cnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1498202331 GODVNTMNUSIZLG-PXAZEXFGSA-N 424.527 1.689 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1503850303 CAZNQYVQNFMSPC-CQSZACIVSA-N 412.450 1.303 30 10 HDEE COCc1nocc1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1504658091 BFWNKIUIYNBIBM-INIZCTEOSA-N 412.425 1.919 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1504755918 LPNCGXBBBFZXPH-SPEDKVCISA-N 424.505 1.319 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1507562964 BUFSRNZGJAFXRW-ZACQAIPSSA-N 421.567 1.649 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1OCC 1507642256 RRLKSTGQIVSENT-QFIPXVFZSA-N 409.490 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O 1507666891 GZOJZDVBACGONO-ZWKOTPCHSA-N 404.536 1.950 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1507693830 HOZZQIOIQHFZPE-UHFFFAOYSA-N 422.514 1.876 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507842140 FCEZMRISNCYMCG-QGZVFWFLSA-N 411.510 1.797 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(Cl)nc2C1 1508087047 NDIRGPJVEACSGO-CYBMUJFWSA-N 415.885 1.143 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1508139506 BKWLYSITIBPXEU-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508140220 GYLLSFTWPUEJBP-BZSNNMDCSA-N 424.567 1.983 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1508161013 KHRXHZZCCBSEQD-CABCVRRESA-N 400.570 1.715 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1515097654 VEWQQGLRSHNRQC-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1516437998 DFYDDYGGQCVKPK-ROUUACIJSA-N 410.478 1.543 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)N2CCOCC2)cn1 1517370501 IDHJZCRWRYJYQT-UHFFFAOYSA-N 412.498 1.058 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCNC2=O)c1 1525957139 WUKVNSIOJLWOIT-KTNMXJNISA-N 406.508 1.744 30 10 HDEE CC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1537005337 CRNYQORXGGBBLN-QILLFSRXSA-N 409.895 1.304 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1537509234 MJOXVGFYURANFM-HNNXBMFYSA-N 419.482 1.787 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1538555280 GOSGIFBJZLFZRO-KRWDZBQOSA-N 401.463 1.554 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1539175916 DGEQEQJSBLCUOP-HNNXBMFYSA-N 414.514 1.639 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1539200944 SZFQTTJMJDEDML-LJQANCHMSA-N 408.506 1.548 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1539206210 NMTHEURTBCBGBQ-GOSISDBHSA-N 404.540 1.422 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1539225835 QISLSCFIRGQKAW-BHYGNILZSA-N 403.483 1.421 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539517692 QTQIYZGPHFYDQQ-QZTJIDSGSA-N 405.568 1.449 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1539887818 IRIWIYLHNRYSID-MOPGFXCFSA-N 416.570 1.869 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1540862460 BRYCLNXRTKIJPM-UHFFFAOYSA-N 417.602 1.699 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1540917067 MVMGRDIPLXAAGZ-HZPDHXFCSA-N 414.597 1.962 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1541638448 XHIUCFINSHOFMQ-NRFANRHFSA-N 409.494 1.403 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)cc1 1543121292 HQSKYFXBFXKXBG-UHFFFAOYSA-N 413.455 1.817 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1544229717 CGSVRPOIMXGRFF-HZPDHXFCSA-N 405.499 1.891 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CCO1 1554440853 ANPDAPWOSMZVGU-IBGZPJMESA-N 417.473 1.520 30 10 HDEE COCCN(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1555528435 DAVZWZDRKGGEGJ-SFHVURJKSA-N 418.473 1.303 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1555636926 MXAKGKHNNIFREL-IFXJQAMLSA-N 408.478 1.490 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1555993123 INJUGXHZRNNTNH-LSDHHAIUSA-N 414.432 1.537 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CCO1 1555994280 VZJMCLPDTRVHHF-NVXWUHKLSA-N 423.539 1.258 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1 1557989509 XNCDDWPLQKONQV-UHFFFAOYSA-N 405.432 1.287 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Cc2cccnc2)C2CCCC2)CC1 1558075277 SBNKGPDGOKHLBP-IBGZPJMESA-N 404.536 1.042 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)c1 1558196549 KGPUDBQGOBQVPA-DOMZBBRYSA-N 404.410 1.780 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)c(C)n1-c1ccc(C#N)cc1 1558453233 HOUNHORUYIWEDM-GOSISDBHSA-N 401.488 1.587 30 10 HDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)ncc1C#N 1563136215 CBSFOUTXPOPALV-UHFFFAOYSA-N 404.452 1.405 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1564999160 HIDGLPZFGUKFBI-OAHLLOKOSA-N 406.508 1.496 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(Cc2nc(O)c3c(C)c(C)sc3n2)CC1 1565156561 LQTCFUISYVLGGC-HNNXBMFYSA-N 417.535 1.879 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1565157100 YIIIARMCQAULQX-ROUUACIJSA-N 408.543 1.751 30 10 HDEE Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nc1O 1585534013 GKJGHLFOZYECAA-OAHLLOKOSA-N 404.268 1.911 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1586488314 PJWMSCMLFNBSPO-UONOGXRCSA-N 402.517 1.114 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC(F)(F)F)C1 1587975293 WHJOWRQXLUYANQ-ZDUSSCGKSA-N 424.427 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCC1CCN(CC)CC1 1588245387 BGLQGRXTAOJIPS-UHFFFAOYSA-N 410.566 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588891513 PMNAAYSMTPZMNI-NZSAHSFTSA-N 417.554 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCOC2)CC1 1588913840 RLPUNNWQQLCUSF-QGZVFWFLSA-N 408.506 1.733 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCOC2)C1 1594566397 GXQFSKQEBSNPCJ-QAPCUYQASA-N 413.544 1.240 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1595550728 ILTIPSDWPJCFJP-GVDBMIGSSA-N 421.567 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CC2)C1 1595737737 HFDMOKZNSAZWEA-JYRCXFKTSA-N 401.536 1.956 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(OC)CCS(=O)(=O)C3)n[nH]2)c1C 1596675159 VACSKKRIZXGPSV-SFHVURJKSA-N 407.496 1.010 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1610042905 AWVRSNJKZLRZFN-UHFFFAOYSA-N 418.523 1.212 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2=O)cc1 1611186365 HDNRYZLHFNQVAE-WRXVUKFLSA-N 401.488 1.383 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1F 1611815200 SCKKDRVQBAUFEZ-UHFFFAOYSA-N 415.406 1.877 30 10 HDEE CCCN1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1614864694 HDGGUMSZTTUVQW-ZWKOTPCHSA-N 415.542 1.394 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1615323439 UXQSRFLWNMSZDB-IRXDYDNUSA-N 404.515 1.549 30 10 HDEE CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)co1 1616337413 YGBSTGSQDPQUED-ZWXCXDBRSA-N 406.460 1.645 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NC3(C#N)CCOCC3)cnn2c1 1617744336 ZZUIDPNHEFIRQP-UHFFFAOYSA-N 414.466 1.599 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)ccc1C 1620642696 GCTJTHFRBLDTDV-UHFFFAOYSA-N 419.532 1.415 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1623682944 XWWWHKMTXFZLQC-GJZGRUSLSA-N 415.918 1.918 30 10 HDEE COc1ccc(Cn2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)cc1 1624729278 XECUFWRSRWZIPC-UHFFFAOYSA-N 417.473 1.873 30 10 HDEE CN(CCN1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1627938564 VMRMVQOYQDRLCY-BQIYRTECSA-N 406.527 1.564 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1629270513 WZXOXVUMJQBKNG-UTCJRWHESA-N 404.410 1.789 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1632031138 DLXFSVVPWPMCDF-UHFFFAOYSA-N 416.478 1.862 30 10 HDEE COC(=O)CCN1CCN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1C 1632920260 BVXLVYMNIYRQLB-CYBMUJFWSA-N 424.295 1.795 30 10 HDEE C#CC1(F)CN(C(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1633366152 XWMVPFCQFRNHRT-QGZVFWFLSA-N 410.467 1.335 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(OC)(OC)c2ccccc2)cc1 1634342841 XBCBXDCOPZXOBK-UHFFFAOYSA-N 402.472 1.474 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CN(C(=O)OC(C)(C)C)C1 1634472643 HZUNKNITVLRGNB-HNNXBMFYSA-N 417.510 1.845 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCS(=O)(=O)CC1 1635324977 OCHSWCDFJOLRQF-LBPRGKRZSA-N 410.920 1.078 30 10 HDEE C=CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1636770898 WXXPYQHLPXWZQA-UHFFFAOYSA-N 415.899 1.187 30 10 HDEE CN(CC[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1637819639 HNBKPWHLBXPUMS-OAHLLOKOSA-N 419.482 1.459 30 10 HDEE C#CCN(CC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1)C(=O)OC(C)(C)C 1638098342 LTSOAXBTEYCKNN-UHFFFAOYSA-N 415.556 1.614 30 10 HDEE Cc1c(C(=O)NCc2nc(C#N)cs2)cc(Br)cc1S(N)(=O)=O 1639618846 GLANQNLBSWWNMN-UHFFFAOYSA-N 415.294 1.663 30 10 HDEE CN1CC(=O)N(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1639782904 QFJZRPHCYSXPSB-BQBZGAKWSA-N 423.260 1.510 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 1642980939 SROJTXJAGNRZQJ-INIZCTEOSA-N 418.519 1.839 30 10 HDEE CCOC(=O)C(CC)(CC)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643096172 IEWWUWJUQUWAFU-AWEZNQCLSA-N 409.508 1.711 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1645414398 YBWTUXQLGRYNMF-XHSDSOJGSA-N 408.495 1.836 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1646393565 VVWGATVAOKGOPS-JIHKLPAASA-N 412.515 1.969 30 10 HDEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1647827670 FDRALFHEABXPLM-NRFANRHFSA-N 416.547 1.244 30 10 HDEE Cc1cc(CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1648028672 JUBVWAROLRMPEL-UHFFFAOYSA-N 417.263 1.908 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1651801916 NHGYPXGLARQPQE-KBPBESRZSA-N 415.968 1.768 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 1653581640 KDQPMPKGSZUKNY-GOSISDBHSA-N 402.451 1.424 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)c1 1655642781 CHHPDEXKGSYLLT-HXUWFJFHSA-N 413.455 1.210 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F)C(=O)OC 1663037184 BPZXXLZNHITVGI-AWEZNQCLSA-N 403.428 1.333 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1663316611 UWDLQLSHHDQPLN-KZNAEPCWSA-N 412.508 1.269 30 10 HDEE C#CCOc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c1 1667083303 XZGXSTFHAYHYJJ-CZDRUDQFSA-N 420.487 1.719 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)N(C)C)ccc2OC)cc1 1669290818 BXBGHYJCFFIKGL-UHFFFAOYSA-N 402.472 1.888 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1672269030 SZUFTFFFUPQQAD-UHFFFAOYSA-N 410.311 1.123 30 10 HDEE CC[C@H](CNS(C)(=O)=O)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682478399 GQWVEDDBPFTOAL-QGZVFWFLSA-N 407.540 1.150 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1685313182 ODARCGZIOHJAJQ-JKSUJKDBSA-N 423.510 1.393 30 10 HDEE C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1685803909 YFQDITNHOLKYDO-SYNHAJSKSA-N 417.535 1.187 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1687321642 JMHVJJMKQZNIKH-XUFBONQXSA-N 403.523 1.236 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1689826376 MVZMREAHLAHVTM-STQMWFEESA-N 409.487 1.542 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1689948909 KFJYWIUKKWJKBR-NQIIRXRSSA-N 405.543 1.356 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC[C@@H]1COCCO1 1690028236 ORLODSHCTCXFLK-GOSISDBHSA-N 410.474 1.744 30 10 HDEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1690322466 GPDOZTBWEFUNHK-IEBWSBKVSA-N 422.489 1.752 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCCOCC1 1690662051 PMUNZBISGCSPDJ-UHFFFAOYSA-N 407.478 1.864 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690666594 AEJCSNWELOMMMK-MRXNPFEDSA-N 424.505 1.457 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNS(C)(=O)=O)C1 1690689626 IKHFSADQIAZYDL-GOSISDBHSA-N 419.551 1.838 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695042043 XOAZAVVVHYYGKE-NRFANRHFSA-N 420.477 1.821 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)nn1C 1705482196 UQWWRUPYKKIVLG-OAHLLOKOSA-N 412.519 1.897 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705523326 NXBLHIMOKVQHBN-DOTOQJQBSA-N 400.527 1.667 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)F 1705583970 RRAWZECXSJJLBK-UHFFFAOYSA-N 407.371 1.601 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1705641875 XUXCLDKGLBRMFR-UHFFFAOYSA-N 414.554 1.853 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(C)(C)C(=O)NCC)CC1 1705644499 SKDNIYNKVHJZRU-INIZCTEOSA-N 416.570 1.920 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705744539 GYLDRBXOGAJXIP-CYBMUJFWSA-N 424.914 1.691 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705791696 BXVNGQSJFFLCBK-OAGGEKHMSA-N 421.567 1.497 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1705883376 GJUNUFGJACWOAN-UHFFFAOYSA-N 408.528 1.142 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)CC1 1705906393 COWBTNSVCQAEFW-UHFFFAOYSA-N 403.508 1.036 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(N)=O)c2)C1 1705922539 OGLPFRNPQSOVDS-DLBZAZTESA-N 410.478 1.158 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)[C@@H]1CCOC1 1711028283 QDKNNRXTQQXCAW-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1711975565 GKBDPIBMGGNZJR-LEWJYISDSA-N 412.469 1.798 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)C1 1712877601 PVXIZAILAQAKPD-KRWDZBQOSA-N 424.527 1.408 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1722352172 FOVYQRNRXSFCIB-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1722382748 CMTILHSZXYVGMI-YLJYHZDGSA-N 408.458 1.669 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nccnc2C)CC1 1722431794 SJAHWYNAMSTAQR-SFHVURJKSA-N 413.526 1.098 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OC)CC1 1722437998 XWUDTDNBCFOQEI-GOSISDBHSA-N 408.506 1.350 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1722446034 KJBPBQAEBCIYMX-IRXDYDNUSA-N 423.521 1.516 30 10 HDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722483275 BIFPJPDWCYMIPE-UHFFFAOYSA-N 413.364 1.595 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(CCO)CCOCC(F)(F)F 1722518500 OMHMUGPFZQRYMW-UHFFFAOYSA-N 405.421 1.468 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722699924 PSPRABQXVFYLQG-UHFFFAOYSA-N 400.458 1.244 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC2CC2)CCOC1 1722865026 XRIIIEYBFNKGEI-FOIQADDNSA-N 404.515 1.441 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1723549482 LVSYPFVJZZPDLB-VQIMIIECSA-N 406.506 1.807 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1730484836 QGSHIXXGBJPHRJ-KRWDZBQOSA-N 422.468 1.918 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)nc2)CCO1 1731187764 XXYSUYANHNZHER-AWEZNQCLSA-N 401.858 1.226 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1740597347 SEUMMNVJXKMNCS-GUXCAODWSA-N 403.483 1.278 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1740622747 IBPDKAFRYYGNGN-RDJZCZTQSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1740655448 BYCKEGYEIVHIRS-IBGZPJMESA-N 417.579 1.519 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740672585 MEPDPVPFPLBNLG-KRWDZBQOSA-N 402.524 1.005 30 10 HDEE C#CCSCCn1c(N2CCOCC3(CC3)C2)nnc1[C@@]1(OCC)CCOC1 1740722137 AKSNGQRCCUYFLG-HXUWFJFHSA-N 406.552 1.913 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740723929 WRSKYIFZXIAVGA-ZWKOTPCHSA-N 405.568 1.655 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1740839491 KEGBGFBJGOOQMZ-OSCRUYLVSA-N 412.494 1.711 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740873938 JRSCKBFCBBYNNK-JLTOFOAXSA-N 415.498 1.010 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740954232 GSLUYDLKRWMESX-AWEZNQCLSA-N 408.462 1.660 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740958516 CHSSXAYVWGDBFC-INIZCTEOSA-N 424.465 1.220 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](C)C1 1740963223 DSWIFCAYUAIYQH-OKILXGFUSA-N 402.524 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(C)(C)C)CC1 1740989893 ZWAMCYDAUCZRKX-UHFFFAOYSA-N 418.567 1.861 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ccc(O)cc1 1741930477 GHFZXDLIAPBTFX-LIRRHRJNSA-N 418.523 1.772 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1743255714 VRTHZIOCSGNKFC-INMHGKMJSA-N 415.519 1.865 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1743515023 JOECKADUFQVMRS-LLYLOPHFSA-N 407.515 1.528 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1748120541 ARUJXMDGBZRCKR-OAHLLOKOSA-N 422.493 1.329 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1748382464 MNBBQXBWQSPPEK-MGPUTAFESA-N 415.519 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1748682332 UKAIAULKKQIDPW-HZPDHXFCSA-N 412.519 1.409 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1748731497 FFUUJAIZTYNRAL-INIZCTEOSA-N 409.556 1.841 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748814903 LEVLYRSWUVRCSN-SJLPKXTDSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCN(CC)CC1 1748841361 ZWNDWRXSRWWCRI-LJQANCHMSA-N 406.538 1.082 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)N(C)C2CCCCC2)CC1 1748999964 IELVIURWEWGVKC-LJQANCHMSA-N 414.554 1.676 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1749529513 FWLPBSRDGDQPJH-QGZVFWFLSA-N 422.493 1.607 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1749760854 OVRRVLGHPLJLIT-UHFFFAOYSA-N 408.528 1.208 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1Cc1nnc2n1CCC2 1749832417 HFMIJSFWMHKBMN-UHFFFAOYSA-N 424.484 1.960 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1750217723 FQVPCTLOPYFWBL-XBBWARJSSA-N 412.519 1.430 30 10 HDEE CC(C)c1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750636460 VVYSTTYEGWHBDA-FUFIUMIBSA-N 414.510 1.933 30 10 HDEE C#CCCCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1760142946 RRSLAEAWFMFGDL-LAUBAEHRSA-N 403.527 1.791 30 10 HDEE C#CCN(c1nnc(C)n1CCCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760181576 XVXIPQAPTLPKOV-GOSISDBHSA-N 402.520 1.855 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1760322691 WFNILMWUCFJRFL-BQFCYCMXSA-N 424.567 1.777 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760402463 ZBEOZTYHBWBSOI-KRWDZBQOSA-N 424.567 1.862 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760511298 WEITYSNASWXHLW-KRWDZBQOSA-N 406.494 1.848 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1760514341 BUELGTCLKZLJGG-OKILXGFUSA-N 410.469 1.544 30 10 HDEE COCc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)ccc1F 1769341746 HRPZBHCERPERFE-NVXWUHKLSA-N 401.442 1.845 30 10 HDEE COCCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1771038268 LRYXKCDLHGAXIN-UHFFFAOYSA-N 405.547 1.515 30 10 HDEE CC(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789023 MFYMDWNOAUZIAA-HXUWFJFHSA-N 417.418 1.257 30 10 HDEE CCCn1c(C(=O)N2CCCc3nc(C#N)ccc32)cc2c(=O)n(C)c(=O)n(C)c21 1848589369 FDKSCEOMIHIDEJ-UHFFFAOYSA-N 406.446 1.308 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(c2nccc(-c3noc(C)n3)n2)CC1 1851736556 JSAHPVBPCZUPCM-UHFFFAOYSA-N 404.430 1.809 30 10 HDEE Cn1[nH]c(=NC(=O)c2ccc(C#N)nc2)nc1N1CCN(c2ccc(F)cc2)CC1 1851874633 UFVMPRPYHDPLRO-UHFFFAOYSA-N 406.425 1.222 30 10 HDEE CN1C(=O)N(C)[C@@]2(CCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)C2)C1=O 1852550099 JKCIWSVSTBLFIV-OPAMFIHVSA-N 403.442 1.846 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1852646488 FFLFGLLJMYTLGJ-ZDUSSCGKSA-N 405.418 1.478 30 10 HDEE CN(C)c1ccnc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1 1852880231 ZDTAZCZUWKCNHV-HXUWFJFHSA-N 410.474 1.956 30 10 HDEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)co1 1853718571 QPWDCVUZTFTDKQ-FQEVSTJZSA-N 407.474 1.722 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2csc(-n3cccc3)n2)C1=O 1854175355 NBWOGQNZEPXDHL-HOTGVXAUSA-N 413.503 1.394 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C(=O)C2)C1 1854393852 RTRXLAJMGHWJCG-SFHVURJKSA-N 419.547 1.090 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3ncccc3c2)C(=O)C12CCCC2 1854401800 TTXQDAZVBUFGIQ-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)CC2CCCC2)C1=O 1854880630 DZMDZUSUPDMGOU-LJQANCHMSA-N 410.522 1.957 30 10 HDEE Cc1csc(CN2CCN([C@H]3CCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)n1 1856576571 XYTKVTSAXCVPCL-SFHVURJKSA-N 409.515 1.882 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@H]3CCc4ccccc4O3)CO2)cc1 1856792190 PTAKCDRFUWDBKL-VQIMIIECSA-N 414.439 1.800 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c1C 1857224112 XWHYWMXCWYITIB-MSOLQXFVSA-N 411.506 1.703 30 10 HDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C)cc1 1865729593 QJVSMDYGBIBQDH-MRXNPFEDSA-N 422.485 1.288 30 10 HDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870971403 DUTHCJNTJHMGGY-UHFFFAOYSA-N 424.457 1.387 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)CC1 1872911226 RUJJVILXTVHVDU-INIZCTEOSA-N 415.490 1.598 30 10 HDEE N#Cc1ccccc1NC1=C(c2cccnc2)C(=O)N(CCN2CCOCC2)C1=O 1873271589 YATBRTVUVLDUIU-UHFFFAOYSA-N 403.442 1.477 30 10 HDEE COc1cc2[nH]c(C(=O)O)c(/C=N/N=c3[nH]c4ccccc4[nH]c3=O)c2cc1OC 1873793657 VJAQVEZYMFCNCZ-ZVBGSRNCSA-N 407.386 1.988 30 10 HDEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(SCCO)nnc1[C@H]1CCCO1)OCCO2 1874453604 NJMVJQLZBSKMKM-HVOBPNNYSA-N 421.435 1.776 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)CC1=O 1874566197 NRHACDANPUUOML-NZWFQIHVSA-N 420.451 1.883 30 10 HDEE Cn1ncc(Br)c1S(=O)(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1924401371 VWFSTVJJXLKLSM-UHFFFAOYSA-N 420.138 1.895 30 10 HDEE COC1(CCNS(=O)(=O)CC(C)(C)C#N)CN(C(=O)OCc2ccccc2)C1 2054403884 RPAMRKMJYHUIOE-UHFFFAOYSA-N 409.508 1.883 30 10 HDEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O[C@@H]1O)[C@H]1O[C@H]1[C@H](O)[C@H]1O[C@H]12 2058696793 NDLASBSIMFTZFG-HETJBJKDSA-N 421.534 1.967 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C1CC1 2076044036 XXXIZAYWMBYNQZ-MGPUTAFESA-N 406.479 1.980 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N=S1(=O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2119535891 SEQWEQNYZKAXHH-ZDUSSCGKSA-N 405.542 1.975 30 10 HDEE CC[C@](NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(C(=O)O)C(F)(F)F 2180572313 MPKVAEMIOCOZSL-YUMQZZPRSA-N 406.201 1.898 30 10 HDEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CNS(C)(=O)=O 2186589165 BYKWLKDMUYGUHS-LLVKDONJSA-N 402.347 1.116 30 10 HDEE CC[C@H](C#N)S(=O)(=O)NC[C@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471499 BWQJSCYJTZRGAK-CHWSQXEVSA-N 410.487 1.394 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCCn1cnc(I)c1 2237133889 RSZMGLXKNLDCJJ-UHFFFAOYSA-N 402.217 1.338 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2243369620 FBQAQJJAEFOYIQ-ZDUSSCGKSA-N 408.260 1.860 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C(C)(C)CO)n1 2247822097 GDLNYLIZFFVGBG-UHFFFAOYSA-N 414.315 1.528 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(N)=O)Cc1ccccc1 2247832751 URDFYGRHJXOBKD-UHFFFAOYSA-N 412.299 1.155 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247838217 FCOLRMOLXPLMKN-STQMWFEESA-N 422.335 1.751 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]2C1 2248405400 UEWZLQURJABEIH-OAGGEKHMSA-N 420.315 1.619 30 10 HDEE C[C@@H]1CSC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267466640 DUEZOGPUZDQJRP-GHMZBOCLSA-N 404.388 1.613 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3ccnc(O)n3)cc2Cl)OC1(C)C 2282306909 UQNSOCBIERETIE-UHFFFAOYSA-N 417.705 1.997 30 10 HDEE C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341410 RSVHRWGNMSFLDR-QWHCGFSZSA-N 401.359 1.971 30 10 HDEE CC[C@H]1CNCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343190 OQQGNSZOFCZYDG-STQMWFEESA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC(CF)CC2)OC1(C)C 2282495225 JOGFWUUIBNEKAJ-UHFFFAOYSA-N 404.338 1.954 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2C[C@@](F)(CN)C2)OC1(C)C 2282497959 XCUZIZDGRXFJHK-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE C[C@H](CCO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282506118 NNXJPNIACRNSOC-GFCCVEGCSA-N 403.737 1.936 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CCNC2)OC1(C)C 2282507911 NTWBHZXBAVHUQF-LBPRGKRZSA-N 400.737 1.527 30 10 HDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CCC2(CC1)OCCO2 2282543115 JOVBZSSBXQOFOA-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE CO[C@@H]1C[C@@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H]1O 2282661978 VNAFTAMOBUHSLY-MVWJERBFSA-N 401.721 1.969 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2(CCO)CC2)OC1(C)C 2282834307 RZFQHEAMHAYXHT-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE C[C@H]1CNC[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282843457 NUEJECNKXWUZPB-GHMZBOCLSA-N 420.793 1.977 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)[C@@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2282871295 DWBBDGNWGUFZCO-QWRGUYRKSA-N 403.375 1.959 30 10 HDEE CN1CCC[C@@H](N(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282876746 IEORAIKJTONPJE-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284397953 RWUBJNSWNBLMOJ-LLVKDONJSA-N 401.315 1.512 30 10 HDEE CN(C(C)(C)CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284407734 OLSFPUUCSYXZNG-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(F)(F)C[C@H]2CN)OC1(C)C 2296502625 DSHFQSMCRGPYDG-JTQLQIEISA-N 408.301 1.404 30 10 HDEE C[C@@H](C#CC(=O)N(C)Cc1c(Br)nnn1C)NC(=O)OC(C)(C)C 2302421950 XWFBAVUVPJSRBR-JTQLQIEISA-N 400.277 1.453 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@@H](O)c1cc(I)nn1C 2361378066 FFKLTRUGHXGZQI-ZWNOBZJWSA-N 405.305 1.935 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(C#N)C3)c(Cl)c2)OC1(C)C 2365150410 SIRZCVSRMYOBMT-UHFFFAOYSA-N 400.668 1.875 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCN(C)C(=O)OC(C)(C)C 2365202191 NARZBNBKKDSEQL-KXBFYZLASA-N 404.573 1.799 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2365210969 KBWWPHMTAHATOP-ILXRZTDVSA-N 402.557 1.407 30 10 HDEE COCCn1cc(C#C[C@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)cn1 2365962882 VLBXVXDKYUBNJH-FQEVSTJZSA-N 412.490 1.372 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2367816277 HHXYYAOTHPMFDS-HZPDHXFCSA-N 402.557 1.553 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCCS(=O)(=O)c3ccccc3)CC2)cc1 56893916 DMESIFJMVQIUDH-UHFFFAOYSA-N 412.515 1.859 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2nccs2)CC1 111046703 FAMFMMPIZMBCFL-HXUWFJFHSA-N 413.547 1.269 30 10 HDEE CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cs1 409749247 KIHHNDUHGMXSCE-UONOGXRCSA-N 403.512 1.609 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1cc(C#N)cn1C)c1ccc(S(C)(=O)=O)cc1 431232316 CFQFPCHHXXJNCX-IBGZPJMESA-N 403.460 1.509 30 10 HDEE COC(=O)c1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc1C 433614048 ZXSQJMBUZWUDCT-UHFFFAOYSA-N 406.489 1.621 30 10 HDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1C#N 501415271 JFBQVSRZAREYPA-CYBMUJFWSA-N 419.297 1.777 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(OCC(=O)N(C)C)c3)cc2C1=O 502217701 FQAISSUAVDEXPX-UHFFFAOYSA-N 421.453 1.866 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 508893313 GWMWLFRLYQSRMT-WNRNVDISSA-N 405.568 1.677 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 508911575 BGHCMNFSOZCJDM-SFHVURJKSA-N 421.542 1.700 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)CC1 512476132 XSNUVHMXFUAXTC-FQEVSTJZSA-N 403.571 1.403 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 526976076 GBKKEDMZFAKWJG-UHFFFAOYSA-N 413.522 1.664 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(Cc2ccco2)c1C 532581344 IZFLXCDRQVWQMQ-HNNXBMFYSA-N 419.507 1.180 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 549281907 AVUIZWGVEMTVRJ-HZPDHXFCSA-N 409.556 1.641 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(C#N)CCCCC2)CC3)CC1 550095390 XTPKAHZXWAGXKR-QGZVFWFLSA-N 412.538 1.423 30 10 HDEE C=CCCCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 605645352 GMWVWXIKGIJEFX-UHFFFAOYSA-N 412.508 1.763 30 10 HDEE CC(C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOCC1 725441136 KHDZCMFJDYSBTM-UHFFFAOYSA-N 411.329 1.794 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCO[C@@H](c4noc(C5CC5)n4)C3)C2=O)cc1 726590050 DTTNQXWQNUODJU-QGZVFWFLSA-N 422.445 1.614 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731213589 GYIAOVPCENKIIV-RDJZCZTQSA-N 408.520 1.393 30 10 HDEE CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732707197 WXLVUASSECAQBK-GOSISDBHSA-N 411.506 1.742 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnn(-c3ccc(OCC)nn3)c2C)c1 736119074 XVOROFXWAZWRNX-UHFFFAOYSA-N 418.457 1.744 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)cc1 739047756 DIBHZJCWMOYITM-XBAJGZJSSA-N 421.523 1.665 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742525303 DGKBSGPUGFURLI-AWEZNQCLSA-N 420.535 1.267 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c1 750413543 SEJZBDYIOIXXSI-UHFFFAOYSA-N 407.835 1.993 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCc2cccc(C(=O)OC)c2C#N)c1 756156421 KQNMDLOANBBAPI-UHFFFAOYSA-N 406.391 1.749 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](CO)C(=O)O 757470203 DCYMVGRKJZIGNY-IBGZPJMESA-N 408.410 1.090 30 10 HDEE O=C(COC(=O)C#Cc1ccc2c(c1)OCO2)NCc1cnn(-c2ccccc2)c1 761227179 WARPJASCLPJGQO-UHFFFAOYSA-N 403.394 1.812 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 764461998 JXXLMUSRXUFWJJ-HNNXBMFYSA-N 414.487 1.700 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H](O)c3ccccn3)CC2)cc1 764966531 UGHIHFVYXUJPKH-LJQANCHMSA-N 414.487 1.204 30 10 HDEE C[C@H]1CN(C(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCO1 769842265 LISWIDMXQQNKKN-AWEZNQCLSA-N 406.483 1.596 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)cn1 772282095 GSQKALSJTBQKSA-UHFFFAOYSA-N 419.510 1.532 30 10 HDEE C#CCN(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774173542 XGDVNOAGVSEJEM-IBGZPJMESA-N 407.511 1.622 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)CCCC#N 776121806 KDCOSONZAMGXTA-UHFFFAOYSA-N 423.310 1.524 30 10 HDEE C=CCOCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 779732924 NGIQTALBCSXKLP-UHFFFAOYSA-N 419.956 1.850 30 10 HDEE N#C[C@@H](C(=O)CN1CCC(Oc2cnccn2)CC1)c1nc(O)c2ccccc2n1 785900923 MRIXARBPHBXHSZ-INIZCTEOSA-N 404.430 1.845 30 10 HDEE CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682290 GFGLGTNUNOVZPW-INIZCTEOSA-N 423.560 1.751 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC2 786797680 LJWCTQIOMBLOBX-OAQYLSRUSA-N 403.479 1.660 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(C)C2(C#N)CCCCC2)c1 787986040 OAIATNFZHSTPDJ-UHFFFAOYSA-N 411.455 1.575 30 10 HDEE C[C@@H](C(=O)OCC(=O)N(C)Cc1ccccc1Br)n1cnc(C#N)n1 798743894 MJXXWNKZMDULER-NSHDSACASA-N 406.240 1.675 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 805776654 UTCVGOKTCPDQDN-GOSISDBHSA-N 422.888 1.339 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NS(=O)(=O)c3cnn(CC4CC4)c3)C2)c(F)c1 805924559 JFLVECIIPDUCOK-HNNXBMFYSA-N 417.466 1.635 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 810164285 CIVSVFMFDVUQJF-OWBBVQPASA-N 416.507 1.902 30 10 HDEE C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 817061960 ODLFTPONDLRCJI-IAQYHMDHSA-N 407.879 1.617 30 10 HDEE COC(=O)c1ccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1 1084137159 KIGOUBIWEIELNG-UHFFFAOYSA-N 418.464 1.620 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1116545253 CGWBUFKEQNWGDE-KRWDZBQOSA-N 424.519 1.062 30 10 HDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1125948370 LESHHNLYTCQSRP-HXUWFJFHSA-N 405.520 1.886 30 10 HDEE Cn1c(=O)c2cc(C(=O)Nc3ccc(OC(C)(C)C)c(C#N)c3)n(C)c2n(C)c1=O 1129202527 DJDPHDDHIMOINN-UHFFFAOYSA-N 409.446 1.877 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1132420887 APZSSFWBNACSKE-KRWDZBQOSA-N 424.519 1.508 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1134650104 ZXRGMSUORWUBMM-ZUZCIYMTSA-N 401.803 1.327 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2ncnc(O)c2Br)cc(OC)c1OC 1142685235 PFLOGJWLEOSJAR-SECBINFHSA-N 423.223 1.965 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2coc(CS(C)(=O)=O)n2)ccc1OC 1146435976 IXTYVLKZZKECRW-CYBMUJFWSA-N 407.448 1.839 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1149468751 GXWJHZKJUJCFLO-LAUBAEHRSA-N 400.479 1.941 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCN(CCc2cnccn2)CC1)c1ccccc1 1152774776 JVTLGJSCROMLKA-UHFFFAOYSA-N 420.517 1.890 30 10 HDEE C=C(C)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1153509778 KPEXHWJFVCFFHH-IAGOWNOFSA-N 412.446 1.777 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2ccc(N(C)C)nn12 1156827616 HAFIDCBGUQKWKP-CYBMUJFWSA-N 401.471 1.113 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1157545603 YHNRSNHKRRIJKZ-OAQYLSRUSA-N 424.469 1.826 30 10 HDEE O=C([C@H]1CN(Cc2ccccc2)CCO1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161801887 FIPHPNYGCUNEJI-HXUWFJFHSA-N 423.469 1.792 30 10 HDEE C=CC1(CC(=O)N2CCO[C@@H](CN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1169004650 ZYIQWWZTGHMRBK-KRWDZBQOSA-N 409.527 1.359 30 10 HDEE C#CCC1(O)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1175854065 MLKVFHKGAJDJBR-CMDGGOBGSA-N 411.502 1.277 30 10 HDEE CC(C)(C)[C@@H]1CNC(=O)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1176474658 PEOBYUUJMCYORK-RDJZCZTQSA-N 403.552 1.303 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1 1180324395 HZKLUJFMXUSTDY-OXQOHEQNSA-N 400.456 1.331 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)s2)c1 1188670012 QWXTWJBXYWSLDU-UHFFFAOYSA-N 403.489 1.796 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1189756011 SANUYFSHIWPUPL-FUHWJXTLSA-N 416.565 1.776 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1190411824 FHAHFVIOGIMHJR-ZJUUUORDSA-N 403.258 1.122 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286387805 IKBKLTXEUGLLJR-QGZVFWFLSA-N 415.519 1.096 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286390637 DAEPZLCDEAWKFW-OAHLLOKOSA-N 405.549 1.671 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286394735 KDZQIIXMUMXIGF-FUHIMQAGSA-N 424.567 1.789 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2CCN(C(=O)OC)CC2)CC1 1286484736 WEJMCTXZQBAVQF-UHFFFAOYSA-N 404.515 1.048 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1)C1CC1 1286732321 POVZCHUOVULOMH-CQSZACIVSA-N 405.524 1.991 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1286774486 QYQIRYMNWSQBID-QGZVFWFLSA-N 418.542 1.563 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](c2ccccc2)C[C@@H]1C 1286785781 IMTCZPHYTQGTHZ-SZMVWBNQSA-N 408.506 1.914 30 10 HDEE C=CCCn1cc(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)nn1 1288211447 AGXWHBWZUSFRLU-FBLNNPBSSA-N 401.511 1.538 30 10 HDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cnn1CC(C)C 1289239998 ROHPXDRQCISEFA-UHFFFAOYSA-N 418.505 1.962 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1289436852 LMWONBMEFCHTDQ-SMDDNHRTSA-N 416.240 1.302 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 1290673777 JSROQGAXXJGKIQ-SJORKVTESA-N 408.543 1.352 30 10 HDEE CCCCOc1ccc([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1OC 1291658431 GSJFOJZOSIBFQU-CYBMUJFWSA-N 400.435 1.885 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1296955661 FKWKSDQFOBMISG-QGZVFWFLSA-N 403.504 1.305 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1297963953 GMTWEOFDAORVSO-MRXNPFEDSA-N 413.438 1.450 30 10 HDEE Cn1cc([C@H]2C[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCO2)cn1 1298555482 XCNSLRSAOCLCEU-SUMWQHHRSA-N 406.439 1.507 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](c3nc[nH]n3)C2)C1 1299733381 BSNCQAMWIUFKHF-NSHDSACASA-N 401.268 1.891 30 10 HDEE COc1cc(Cn2c(CC(C)C)nnc2N2CCO[C@H](C#N)C2)ccc1OCCO 1299885199 AKPWMIPIGFMROF-QGZVFWFLSA-N 415.494 1.633 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1300314206 CJAPTJFWLMATOL-ZWKOTPCHSA-N 407.522 1.695 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1300600865 BDFCEDMWAGZYCK-LBPRGKRZSA-N 407.525 1.105 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC 1300877140 UNWLRJZWDUXPDQ-PKOBYXMFSA-N 424.509 1.985 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 1301219581 MJKKVLWADCENMT-UHFFFAOYSA-N 422.411 1.346 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CCC)C1 1301478837 PGUJFEGCOJDXJE-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 1301479420 ZRMVDDMNHALJQJ-AWEZNQCLSA-N 413.482 1.231 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOCC3(CCC3)C2)nnc1[C@]1(OCC)CCOC1 1301520935 UJAARUFZMJRJKG-NRFANRHFSA-N 419.526 1.239 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cccn1 1302287246 SPDHBUPGWAVEID-TXPKVOOTSA-N 403.462 1.731 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1305789117 CQNBJEOGEJQQRQ-KGLIPLIRSA-N 412.441 1.349 30 10 HDEE N#Cc1cnc2c(Cl)cccc2c1N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1307094972 BFFNVCOWDHBROK-UHFFFAOYSA-N 402.867 1.994 30 10 HDEE CCCOCc1ccccc1CNC(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1307384562 ZGDNRQBFTWKOCN-UHFFFAOYSA-N 410.474 1.768 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cc(F)ccc2CS(C)(=O)=O)n1 1312158171 GOKHCLDXSVTMIP-UHFFFAOYSA-N 406.483 1.932 30 10 HDEE COc1ccc([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccco2)cc1 1312878812 IOLPIRVJTXGVQF-CVAIRZPRSA-N 415.471 1.957 30 10 HDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1Cc1cnnn1C 1314373676 CWMHFQWXFSVDCR-UHFFFAOYSA-N 421.509 1.580 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2C(=O)COc3ccccc32)cn1 1320407557 LEWUYYVNNIMDSU-UHFFFAOYSA-N 403.402 1.686 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n(C)n1 1320853008 WHDPDFUOKACALG-ROUUACIJSA-N 406.490 1.738 30 10 HDEE Cc1c(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cnn1CCC#N 1355679217 LTRDTEFDIKPMKF-UHFFFAOYSA-N 412.475 1.012 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CCOCC2CC2)CC1 1358761781 XRIRFJSIHUZYRA-JRHPMUGDSA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1CCN(CCN(C)C)CC1 1358871065 ZLCFABAMQIMPCN-QGZVFWFLSA-N 403.575 1.148 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(COCCOC)cc1 1358886661 INNDTTYBRGCPPF-VQIMIIECSA-N 411.506 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)CC=C 1358893505 VYMNGZCKSUIDJX-MRXNPFEDSA-N 402.520 1.936 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358950297 FVWMDXHTJAHODN-GOSISDBHSA-N 417.521 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNC(=O)c1ccccc1F 1358981158 YVRRXDGZANCYHP-UHFFFAOYSA-N 416.460 1.906 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1358993967 APDAHMBWMDJZQZ-UZLBHIALSA-N 416.503 1.144 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1Cc1cccnc1N1CCOCC1 1358996903 XAIXPROFERFIQG-UHFFFAOYSA-N 404.518 1.973 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1359010543 SQDOKMLFCTYSEQ-HOTGVXAUSA-N 409.556 1.192 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359131583 YOLPWCSFLYMCTL-SFHVURJKSA-N 415.542 1.430 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359147296 AXNBZLHRHCOIEF-HNNXBMFYSA-N 415.885 1.859 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](COC)OC)CC1 1359162119 DQCHDOOCQWYFOY-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1359281824 KDIXPBBNJNQQAY-KXBFYZLASA-N 424.523 1.320 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1359286744 PFNMARKTPKKWJV-UONOGXRCSA-N 406.487 1.145 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359289370 ZQEUCADZNBQJFA-AWEZNQCLSA-N 400.487 1.161 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCOC2=O)CCOC1 1360318951 ALXGPCDCEUBWQC-OXQOHEQNSA-N 420.514 1.899 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1448193567 OAAMTLPKMQZBQX-ILXRZTDVSA-N 401.529 1.127 30 10 HDEE Cn1ncc(I)c1C(=O)NCc1ccc(C(=O)NO)cc1 1448500044 GGAPMUHPCSMERQ-UHFFFAOYSA-N 400.176 1.074 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)CC[C@@H]1C(=O)OC 1453545089 SRXKKQJVYYQMSP-QLFBSQMISA-N 410.467 1.246 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(F)(F)F 1455982625 GQPSTTCBHQPLJP-JTQLQIEISA-N 414.203 1.688 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2c(Br)nc3n2CCCC3)c1C#N 1457563938 CAGCKJKEKLWZNE-UHFFFAOYSA-N 406.288 1.981 30 10 HDEE CCOC(=O)Cc1c(C(=O)N(CCC#N)CCN2CCOCC2)[nH]c2ccccc12 1464557993 UANJMALGBKWZHH-UHFFFAOYSA-N 412.490 1.962 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1 1469762732 QDYARMPWKINMBN-ROUUACIJSA-N 411.462 1.584 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1471937863 UJNZALMAHYRBKV-UHFFFAOYSA-N 419.547 1.310 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nn(C)cc1O 1472235999 DBHSZGDNTIHEOG-JSGCOSHPSA-N 419.507 1.456 30 10 HDEE Cc1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1S(=O)(=O)NCC#N 1472304613 CCOVUZAOESNYHL-DNVCBOLYSA-N 415.471 1.269 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2=Cc3ccc(OC)cc3CC2)CC1 1475011360 JTZUGQNZHGKHGV-UHFFFAOYSA-N 417.531 1.069 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)Nc1ccc(Br)c(C#N)n1)CC2 1476945564 BOMZQQHLTKHAOK-VIFPVBQESA-N 406.244 1.590 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1=O 1504914956 YFHJBYZIPQFHRS-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1505319840 MHUANKRSBWHAKP-JKSUJKDBSA-N 411.466 1.205 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1507541057 FOAFHNAHMGECSR-AWEZNQCLSA-N 402.524 1.596 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1507633386 SCXOYKKUQHRTIW-ROUUACIJSA-N 424.567 1.963 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1noc2c1CCCC2 1507713720 UUAQVGNTOUIUQA-UHFFFAOYSA-N 412.494 1.402 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C1CC1 1507978611 PWWSPRITJYDVIB-UHFFFAOYSA-N 417.539 1.387 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(Cl)nc2C1 1508080204 MCSUEKHLKGJXJW-UHFFFAOYSA-N 412.885 1.592 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CCO1 1508373334 ATPOOGCWYZTUTD-KNQAVFIVSA-N 424.505 1.727 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508742088 FTUYHJGNCFDZAH-SFHVURJKSA-N 410.522 1.746 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1510078360 KONOCEVXLNJAPB-FUHWJXTLSA-N 410.526 1.673 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC=CCO1 1510191971 AJHUMDDOCHRWAH-RLFYNMQTSA-N 408.528 1.363 30 10 HDEE Cc1csc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)n1 1511438850 APNBICJEZVMSTC-DZGCQCFKSA-N 415.523 1.812 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1)CC(F)(F)F 1517315919 HPZSQMJGIJATQB-GUYCJALGSA-N 413.448 1.853 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1517451417 HYXJADFKMSKZTB-CQSZACIVSA-N 423.477 1.818 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1 1519324911 IHUQJLFEMASEQY-WMZOPIPTSA-N 401.467 1.810 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1529366748 UKFXAPHSDUSRAJ-SOUVJXGZSA-N 406.464 1.804 30 10 HDEE C#CC[C@H]1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1530087158 WYHMVBUHLWTGOQ-INIZCTEOSA-N 406.504 1.130 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 1532279892 DGSMNJWLNXHYHC-QHCPKHFHSA-N 421.453 1.495 30 10 HDEE C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1533374769 ZREOVIWUVJQJHM-KRWDZBQOSA-N 424.542 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1538961452 ACBNGGYKURSRGG-MRXNPFEDSA-N 424.505 1.498 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1538970577 COMLTSVLXTYNER-BBWFWOEESA-N 418.567 1.871 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3cc(C)on3)CC2)s1 1539000332 QTSVWOUHLLWIOU-UHFFFAOYSA-N 424.548 1.396 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)s1 1539295923 IDPOCAGDWNSQCL-OAHLLOKOSA-N 405.549 1.769 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cnnn1 1539423063 RCLMBLGJMOMCPC-IAGOWNOFSA-N 416.530 1.360 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1539446529 FITWDOWUJWXDKE-UZLBHIALSA-N 401.536 1.506 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCN1CCN(CC)CC1 1539552340 PNGQYCJYPOJBCL-JOCHJYFZSA-N 408.554 1.755 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1540158614 MXBOLGZCWBBUNO-GOSISDBHSA-N 423.926 1.722 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1540671940 CLTOEYLKROWGFQ-CQSZACIVSA-N 421.339 1.922 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cnn(C)c2)C1 1540882880 QDKBDMQFCHRJMB-KRWDZBQOSA-N 401.515 1.564 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C[C@H]1CC 1540906895 GBSBXAOMUHFLPC-HZPDHXFCSA-N 409.556 1.626 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCSCC2)CCOC1 1541105989 PFKCZUVHVRVAPI-XLIONFOSSA-N 422.599 1.963 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc(Br)cn1 1541634133 ASFUUGPIGFTYJU-GFCCVEGCSA-N 423.319 1.814 30 10 HDEE CN1CC[C@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357519 GUVMJHKEFRVFAC-DENIHFKCSA-N 410.522 1.747 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1555056210 RAKNXXNQDAYLDW-QGZVFWFLSA-N 424.505 1.989 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1555421071 GPHXANRCKUABLC-GCJKJVERSA-N 424.505 1.415 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCOCCCO)cc1 1555989024 WJNMVRKTDRBGGS-IRXDYDNUSA-N 413.434 1.330 30 10 HDEE Cc1nnc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n1C 1557302856 HOOQOOOBUHVPOX-UHFFFAOYSA-N 409.494 1.499 30 10 HDEE C#CCOCCC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1557517280 KDRMPBXCZKGBLS-QGZVFWFLSA-N 409.527 1.733 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CCN(C(=O)CC#N)CC1 1559847321 RXHFDKIUFPXZAY-INIZCTEOSA-N 423.473 1.594 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 1559939702 XHMJJEACQBSJKA-KRWDZBQOSA-N 408.502 1.578 30 10 HDEE C#CCN(C(=O)NCC1(c2ccccc2)CCN(C)CC1)[C@@H]1CCS(=O)(=O)C1 1565249085 OYDQBEHSFMZBMB-LJQANCHMSA-N 403.548 1.482 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(=O)OC)CC(OC)OC 1567465100 JXFDCOLAYDYPDZ-AWEZNQCLSA-N 400.472 1.304 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCNS(=O)(=O)CC 1587580718 ROWWTLRDLAVFOL-OAHLLOKOSA-N 405.524 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1587620630 IKZFXAAWXXTMNK-DFFLPILJSA-N 422.489 1.190 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN(C)S(=O)(=O)CC 1587662968 SBYCHDQXVCMHEP-INIZCTEOSA-N 421.571 1.269 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1587797961 KPEQNHYQJHNNGG-MRXNPFEDSA-N 407.515 1.934 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@H]2C)C1=O 1587983589 VSWPDDWJSRHGIR-XJKSGUPXSA-N 403.410 1.621 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C)C(=O)OC 1588127702 ZPXWELYFRWJUMX-QGZVFWFLSA-N 402.451 1.839 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc2c(c1)OCO2 1588128984 WHCFFODEKJCRKL-INIZCTEOSA-N 407.430 1.110 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 1588199632 VNNIPPSPSMOOMQ-HUUCEWRRSA-N 416.330 1.709 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1589059759 JNEVCPUZVUBXTC-QGZVFWFLSA-N 423.608 1.916 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1595550837 ITXCLTZKYUBUDA-CRAIPNDOSA-N 415.469 1.801 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)Br 1596841537 OKEFALPLBNMSFM-SNVBAGLBSA-N 405.247 1.984 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)cc1 1603534524 ZFAYWSIXPBJXNB-INIZCTEOSA-N 411.487 1.243 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1610057766 SEJQFVIRXKSSPY-UHFFFAOYSA-N 418.461 1.400 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1615093229 CYYQBHYOBUKMIH-ZHRRBRCNSA-N 424.505 1.679 30 10 HDEE CN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1617733696 OAYZXOHZQHYQNV-RJCBAWPRSA-N 408.462 1.697 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cccs1 1618309268 JZLWVYHTMWXTGV-UHFFFAOYSA-N 416.532 1.912 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1618815229 GHEMJFNKQHQVNH-UHFFFAOYSA-N 420.477 1.334 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)CCO1 1620356303 WFEYUGCBURJKKF-HZPDHXFCSA-N 400.439 1.158 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C 1622325202 NRGOYDUHVTVIIX-UHFFFAOYSA-N 401.506 1.364 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1622466958 MUGWTSDQDATOLQ-UHFFFAOYSA-N 404.307 1.975 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1625160621 KXVNIFRPOJYROX-INIZCTEOSA-N 418.902 1.811 30 10 HDEE CCc1nc2ccccc2n1[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1625611325 GIPZWGAPTPXQFN-INIZCTEOSA-N 420.473 1.986 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCO[C@H]2CCOC2)CC1 1626608124 GYKGEHWVGOUYMY-HNNXBMFYSA-N 400.435 1.944 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)CCS2(=O)=O 1627430114 MONAGEDRJNWQRD-FIWNRLKKSA-N 418.515 1.851 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cc3F)CC2)c(F)c1 1627606577 FBECVKFDDJWKBI-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)[C@H](O)C(F)(F)F)s1 1631958767 ZUEQQPXOXSIKJW-GWCFXTLKSA-N 400.444 1.573 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1632078991 UVIISTMKKZNFLB-CABCVRRESA-N 414.911 1.301 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(=NCc3ccccc3)cc[nH]2)CC1 1632623881 JZZSRFFIUKMSDY-UHFFFAOYSA-N 405.502 1.013 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3nc(C)cs3)c2)CC1 1632961402 ZBVPNYPQAVLPJW-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1633679426 LWFILVCIZFXVAE-VFZGTOFNSA-N 415.443 1.242 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OCC 1635698768 OENWHJUTNQFOSQ-QGZVFWFLSA-N 401.463 1.340 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1637061767 AMCVEZDZLRKJMY-MRXNPFEDSA-N 407.320 1.198 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)cc1 1638090790 BDFNUMJLIPAEIY-RBUKOAKNSA-N 413.499 1.492 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1639279713 VSJUOXBZLXZPQR-UHFFFAOYSA-N 416.463 1.425 30 10 HDEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1639962055 KTWXACGEPWEZSG-VQTJNVASSA-N 408.437 1.968 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCc3ccc4c(c3)OCCCO4)C2)c(=O)nc1O 1640636755 NXOVNMLCDHDXGR-UHFFFAOYSA-N 410.430 1.388 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@H]4CC(=O)NC(=O)N4)cc3)cc2C1=O 1641182139 XOLNGQYAYWYKBZ-QGZVFWFLSA-N 418.409 1.992 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(F)(F)[C@H](CO)C3)C2=O)cc1 1641411281 KVDHHJANZRQOHB-ZFWWWQNUSA-N 406.389 1.239 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CC(NC(=O)OC(C)(C)C)C1 1641571500 ICCWFMWJMMCPHG-UHFFFAOYSA-N 422.507 1.351 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1641806493 FOIFSRYCMFWUMO-LBPRGKRZSA-N 402.348 1.592 30 10 HDEE N#C[C@@]12CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1646439987 VUMLVGBUHRRMHS-ZBEGNZNMSA-N 416.286 1.120 30 10 HDEE C[S@](=O)[C@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1651250323 BWSJRLHEBIUBNR-HGRMPGJJSA-N 423.560 1.375 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1=O 1652100112 QLFVRZXRPCDLDG-UHFFFAOYSA-N 416.743 1.185 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 1653396865 NVFTWIJTVVVJDA-ASHKIFAZSA-N 424.548 1.943 30 10 HDEE CCOC(=O)c1ncn(C2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1N 1654136770 NCXFJBBXEDTEEI-VBKZILBWSA-N 404.515 1.722 30 10 HDEE N#C[C@]12CN(Cc3nnc(C(=O)Nc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1660447936 NPXBVSUNXUYSLK-APPDUMDISA-N 421.479 1.300 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1663616412 FICFEHQFDCRWMW-KBPBESRZSA-N 406.501 1.050 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)OCC 1665496570 FQYKYFMNBXCJTJ-AWEZNQCLSA-N 409.913 1.584 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCOCC1 1674403595 VGPZRORRACAIHH-IBGZPJMESA-N 407.536 1.945 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CC1 1675189288 PVRVPABEWMBYQH-OAHLLOKOSA-N 406.508 1.502 30 10 HDEE C#C[C@H](NC(=O)N[C@H](CC)CNS(C)(=O)=O)c1ccc(Br)cc1 1681242102 XQUZEONAWBKWPM-KGLIPLIRSA-N 402.314 1.750 30 10 HDEE C=CC[C@@H](CO)CNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1684430919 BUMQFJMQPPBRPB-CABCVRRESA-N 405.499 1.758 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 1685177310 QKCHWNBJGBBGGN-QGZVFWFLSA-N 404.536 1.102 30 10 HDEE Cn1nnnc1C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1686084632 QMCBJCPPYFTFPP-QGZVFWFLSA-N 408.466 1.166 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCCO 1689846989 PRYXPKDYZWZLEW-OAHLLOKOSA-N 420.539 1.095 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689856541 SJUDSYGRROETDD-AZUAARDMSA-N 423.565 1.665 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689980331 PTJCBKAHPBPRAM-OAHLLOKOSA-N 421.567 1.248 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCn1cc(Br)cn1 1690019372 GWAFDDKEQUNZLR-OAHLLOKOSA-N 417.311 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1690137639 FVTXQYDKOMLPNJ-QZTJIDSGSA-N 400.571 1.920 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@@H]2CCOC2)CC1 1690148364 DYZOAHISNHPIHA-GOSISDBHSA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1690178754 FPOROZQZQRJUAD-UHFFFAOYSA-N 419.580 1.462 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690465324 XTAODGOXVGPDJB-QKLQHJQFSA-N 424.567 1.921 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1690531994 FJHGYOREOMCGPN-UHFFFAOYSA-N 409.494 1.674 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690648062 CJBGPLOPUZDLDE-AWEZNQCLSA-N 401.471 1.671 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(C)(=O)=O)C1 1690711843 JHUDKGDLBKRHFI-SFHVURJKSA-N 420.535 1.991 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690740522 YDBZCTAIAGBMJS-INIZCTEOSA-N 422.580 1.777 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1690749957 VGJBVXLUOUYRKX-UHFFFAOYSA-N 421.571 1.171 30 10 HDEE CC(C)COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1692455778 OVHUIICUKWEHDK-MAUKXSAKSA-N 413.519 1.685 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1COCCO1 1698244257 MCPHVHVRFLQPDI-FHWLQOOXSA-N 419.526 1.938 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705539519 SZOHXVJERXZYIO-GHTZIAJQSA-N 405.543 1.501 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)N(C)C 1705557512 WEPSFDRODHIKJQ-FQEVSTJZSA-N 409.582 1.662 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nnn(C)n2)CC1 1705635249 UZCLITYBCZRARE-SFHVURJKSA-N 405.510 1.147 30 10 HDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCOC 1705661723 IEVSWVKYANYEEK-UHFFFAOYSA-N 415.567 1.901 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1705713835 VCBCDYUCXUCZCS-UHFFFAOYSA-N 421.523 1.968 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705741492 QVIXTUGKBYPAGQ-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705744857 QXZODSBMYPQUPK-DLBZAZTESA-N 422.961 1.814 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)CC1 1705782050 NGBDQZGNDMAPIB-HNNXBMFYSA-N 422.580 1.985 30 10 HDEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1705877029 RPMVBLNJYJGMGV-QFIPXVFZSA-N 408.506 1.974 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CCN1CCOC(C)(C)C1 1705899926 LAVINULHQAVSLL-UHFFFAOYSA-N 413.526 1.189 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)OC(C)(C)C1 1705906187 WGRLZKMVADTWNR-CYBMUJFWSA-N 404.540 1.940 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1706076834 DEMMWLVENPEWNY-KKSFZXQISA-N 409.494 1.918 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(OC)n1 1711837290 LMUAIXGKUFWLHU-UHFFFAOYSA-N 407.434 1.582 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1712167054 DPHLBZBZSKFXOQ-QZTJIDSGSA-N 400.458 1.322 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722324011 KBLJQCSKTUMKKS-ZBFHGGJFSA-N 419.555 1.549 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722325580 ASIIGWLRVXDUOL-INIZCTEOSA-N 419.493 1.426 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCn2ccnc2C1 1722356122 BKQRVPIMLSAWPO-HNNXBMFYSA-N 409.519 1.798 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1722411794 PWXQLADBSJHIPW-OXJNMPFZSA-N 408.568 1.971 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCn2ccnn2)CC1 1722441363 IYGHYBDKFQBRMC-UHFFFAOYSA-N 420.521 1.603 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCOCC2)CC1 1722561402 TWKAIQHTLBOFTP-NRFANRHFSA-N 405.543 1.809 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(N(C)C)CCSC2)CC1 1722568857 CECHGRKHMZBNIJ-HXUWFJFHSA-N 404.584 1.994 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1)C1CC1 1722649070 IBGWSTMRODITMP-MRXNPFEDSA-N 402.499 1.862 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722749618 HATGTUVSFPQOAH-MRXNPFEDSA-N 421.523 1.552 30 10 HDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727866836 IFXCIUNYOTWVMK-ARJAWSKDSA-N 407.478 1.902 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1729220469 BQZLQBDQJVFMRH-CQSZACIVSA-N 420.564 1.698 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC[C@H]1COCCO1 1729408761 LBXVPRKJKXRTIP-IBGZPJMESA-N 407.478 1.992 30 10 HDEE CO[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCOC1 1729939399 FBVMGFFQAHSCHG-VQTJNVASSA-N 402.499 1.450 30 10 HDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1730285543 OKICJOTYDPRANS-HNNXBMFYSA-N 422.493 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC1CC1 1740556224 BVWGEYVMXNFYOT-HNNXBMFYSA-N 404.540 1.422 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1740628661 SFMLIRKXNPYEDG-HZPDHXFCSA-N 412.581 1.585 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1740662338 QYOYKTUAUJVOHN-CYBMUJFWSA-N 409.487 1.544 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc3c2OCO3)n1 1740687988 PIRRROYENIAVAG-UHFFFAOYSA-N 408.462 1.846 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740876096 OFDRMGQEGOPOIY-FXAWDEMLSA-N 423.583 1.447 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(C)ccc1F 1740951454 ZGSIQNLQKPVBKK-UHFFFAOYSA-N 402.474 1.802 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCCN(CC)C(=O)C1 1740955364 RWLFJFQIGKKIMS-UHFFFAOYSA-N 412.494 1.315 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)CC)C1 1740984243 YKKHRLSDUFJSOS-YMGMXPECSA-N 406.556 1.690 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1741293070 IZJHJAKCAOHFIA-ZWKOTPCHSA-N 421.505 1.304 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1745685910 BDXVSHDOSDYJLQ-IKGGRYGDSA-N 408.572 1.508 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1747456553 KMVUBQYDHPGPOY-HGKJHCCASA-N 412.519 1.300 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1748825912 IGNAELORUKKOMQ-CQSZACIVSA-N 419.482 1.157 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1nnc2n1CCCCC2 1748883060 QEIGMBGNGXHGDI-UHFFFAOYSA-N 403.494 1.508 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1749158279 FQYCXQGJOCUIOS-QGZVFWFLSA-N 419.551 1.813 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1749439781 JJBOCPSSEJFSFF-WOJBJXKFSA-N 405.499 1.927 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@H]1CCCO1 1749732290 UYRXWMIXOSNBNQ-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749752004 GZMXHLICGNWAKZ-MRXNPFEDSA-N 401.540 1.799 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccs1 1749830206 GIRZVIPNJVFPJX-CQSZACIVSA-N 409.537 1.656 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760136973 MRIHBIPPEXJUDC-DLBZAZTESA-N 400.527 1.775 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NC)c1 1760287369 PXGVWSZKWRGUGC-HSZRJFAPSA-N 420.517 1.914 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1760428578 ZABDXQLSKLWLLC-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760494748 ZMYVMPUHMTZZFK-DLBZAZTESA-N 409.556 1.632 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCSC2)C1 1760547661 OXAYQIQZLADUAD-OGNFBWPZSA-N 424.567 1.651 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCS(=O)(=O)C1 1762181771 AAIVYSHFACMUHY-ZIAGYGMSSA-N 410.544 1.370 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1766429859 VXIOOQSEIAYUPT-OAHLLOKOSA-N 408.503 1.848 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@H](C#N)C2)C1 1767692201 HQOYELPHGYVDEV-IDYZSHNDSA-N 413.478 1.612 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1769120975 HKIPTGGQNGNPKO-AWEZNQCLSA-N 406.494 1.725 30 10 HDEE COC[C@@H](F)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1770796291 WJZRYXIZPXNSHV-CVEARBPZSA-N 416.505 1.838 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1771222536 JMNDEQIKQGPAMX-HOTGVXAUSA-N 415.498 1.240 30 10 HDEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3cnc(C#N)nc3)CC2)cc1F 1848497180 UEYBNRINCBDQHH-UHFFFAOYSA-N 422.424 1.035 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(Cn3cnc4cc(OC)ccc4c3=O)CC2)CC1=O 1849321212 KZPHUUIESSKHAF-KRWDZBQOSA-N 424.501 1.678 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N(C)c1ncccc1C#N 1851314962 IGDOOJKBSSHFIR-MRXNPFEDSA-N 401.492 1.722 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2n[nH]cc2Br)CC1 1851897701 YBZMTJKQHJHNCS-UHFFFAOYSA-N 405.256 1.418 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)c(C#N)cc2C#N)CC1 1852766529 CCRMIEJDQPBVLL-MRXNPFEDSA-N 409.494 1.162 30 10 HDEE O=C(c1cccnc1O[C@H]1CCOC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853281200 BIOCWTRTRNGNOB-JTQLQIEISA-N 407.370 1.733 30 10 HDEE Cc1nc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)cs1 1853666440 BRKNPRVOWMIFDE-HXUWFJFHSA-N 423.542 1.811 30 10 HDEE C=C(C)CN1CCN(C(=O)c2nccc(N3CCOCC3)n2)C(=O)C12CCCCC2 1853682072 MTMMBMSWYKTWKG-UHFFFAOYSA-N 413.522 1.877 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CCC3=O)c2n1 1853747425 VCGAJHCFHJJFMD-QGZVFWFLSA-N 407.474 1.617 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccccc4F)C3)CC2=O)ccn1 1854246726 RIXZVOFKYVEKKU-LJQANCHMSA-N 407.449 1.651 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C(C)(C)C1=O 1854605111 YTNCWTMCOHBBGH-UHFFFAOYSA-N 421.475 1.236 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CC1CCCC1 1854684841 PMOCVGYPRSSXJG-HNNXBMFYSA-N 403.504 1.680 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1854873028 XCXAOKFHMZFRTR-JTQLQIEISA-N 405.354 1.111 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC(c4cccc(C)n4)CC3)C2=O)CC1=O 1854928919 TTYMTPHCEFKYPT-ICSRJNTNSA-N 410.518 1.731 30 10 HDEE CON(C)C(=O)C1CCN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1855765894 PHYZNHXUBIJRBE-LJQANCHMSA-N 412.490 1.811 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1=O 1855823917 DCIBESHISRYLDS-AEFFLSMTSA-N 409.552 1.359 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)Cc3ccsc3)C2)CC1 1855872183 BQAVPHWPJHCBCF-QGZVFWFLSA-N 409.515 1.755 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCC#N)C(C)(C)C2=O)cc1 1855896813 USDSDAKEABKWNK-UHFFFAOYSA-N 421.519 1.612 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C1=O 1856042131 ZTZAUCGMXFQFKE-HZPDHXFCSA-N 402.520 1.547 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H](N4CCC(CC#N)CC4)C3=O)cc2n1C 1856538661 MWWQKAHEZBPFPI-GOSISDBHSA-N 409.490 1.634 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@H](N(C)CCC#N)C3=O)CC2=O)cc1OC 1856554305 YWTYVOHAVFSGFN-ZBFHGGJFSA-N 414.462 1.030 30 10 HDEE Cn1nncc1C(=O)N1C[C@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1=O 1856623863 FZDCZTKSCOXXHR-INIZCTEOSA-N 408.462 1.219 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(COC)cn2C)C1=O 1856734877 ABVWGTDQGRUBHM-SJORKVTESA-N 402.495 1.021 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C(=O)CCN(CCC#N)c3ccccc32)CC1 1856966572 GFZNMQQRACERKA-UHFFFAOYSA-N 404.492 1.342 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)Cc3cccnc3Cl)C2=O)CC1 1857067122 DELOMPWFXGUKKU-QGZVFWFLSA-N 424.892 1.494 30 10 HDEE Cc1cccc(C)c1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857167260 NWRBYISSVWPBAD-SFHVURJKSA-N 404.474 1.527 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)CC2=O)c1 1857323517 BINSHRIPLYIJOP-LPHOPBHVSA-N 410.474 1.411 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nc(CC(=O)OCC)cs2)c(=O)cc1C(=O)O 1857890149 KBUKPCJMGNPLFR-UHFFFAOYSA-N 421.431 1.312 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)NCCCn2ccnc2)cc1 1860733796 UHVQJAUSMDFZIN-DHZHZOJOSA-N 412.490 1.919 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1 1868801633 HRUZYLPSAODMNX-UHFFFAOYSA-N 410.518 1.676 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)O 1899961069 UINOWWLGLZZHME-ZIAGYGMSSA-N 401.504 1.848 30 10 HDEE CC(C)(C)OC(=O)N1Cc2nccn2C[C@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)C1 2010396051 FGHILCYPJYGDOG-AWEZNQCLSA-N 420.319 1.998 30 10 HDEE C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C 2069563917 CLOQVZCSBYBUPB-HYVFZCEISA-N 410.507 1.520 30 10 HDEE CC(C)(C#N)OCCS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074761552 NTUALFMGBUPZKG-OAHLLOKOSA-N 412.464 1.490 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 2118166396 IUULTFPWXVLLQJ-KRWDZBQOSA-N 416.459 1.269 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)C[C@H]3C[C@@H]3C(F)(F)F)s[nH]2)OC1(C)C 2166426051 XGPPVMCKGDAVDD-SFYZADRCSA-N 413.252 1.199 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 2180133998 XKSYVVGGSRRDRN-HRCADAONSA-N 400.541 1.965 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2243426295 WSCZMIGULRHRRY-KBPBESRZSA-N 405.304 1.720 30 10 HDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2247830103 XWQXBJZYROKTEX-LBPRGKRZSA-N 420.319 1.694 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247837044 MAYQIFIJSNZNQD-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC1(C)OB(C#CC(=O)N2CC[C@@](CNC(=O)C(F)(F)F)(C3CC3)C2)OC1(C)C 2247930930 KTDCTYXAPLMCSH-SFHVURJKSA-N 414.233 1.928 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CO[C@@H](CN)C3)sc2Cl)OC1(C)C 2281960175 VWQZZKGEVOIKHN-GHMZBOCLSA-N 400.737 1.794 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC[S@@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282305624 AYKMKRRIQFGOQN-RUZDIDTESA-N 401.359 1.293 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC(O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282493536 UKOYXLIGGVZUMZ-UHFFFAOYSA-N 401.359 1.810 30 10 HDEE CN(C1(CCO)CCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282499459 PNNRXQPIYMBCCX-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500951 PZNRDUADKVNVHJ-FTJNGKRUSA-N 422.403 1.322 30 10 HDEE CC[C@H](CO)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282504940 WKEFDDBMWXHPMS-ZDUSSCGKSA-N 403.375 1.961 30 10 HDEE CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849335 ZULAMPOYVYPLMN-SECBINFHSA-N 414.280 1.557 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@]3(C)CO)c2)OC1(C)C 2282853280 APJGDXZZTLRTED-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE C[C@@H]1[C@@H](CO)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869832 IZVJLINXVBQSOX-CHWSQXEVSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSC[C@@H]2C(=O)O)OC1(C)C 2284393454 KXWTVMGEMYAOCM-LLVKDONJSA-N 419.355 1.238 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399310 JABNRWQEFZLFCF-LLVKDONJSA-N 401.315 1.663 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)OC1(C)C 2284405992 SDSNFSLPSKBVNQ-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)CCC[C@H]2O)OC1(C)C 2286910404 CAVABMAZBSVATR-CXAGYDPISA-N 401.359 1.877 30 10 HDEE COc1ccc(C#C[C@@H](N)[C@H](O)c2ncc(I)s2)cn1 2295783626 IELWLNKYYXYELP-SKDRFNHKSA-N 401.229 1.564 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(Br)cc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c1sccc1C#N)CC(=O)Nc1sccc1C#N 31449162 YNRLIFBALXFKKM-UHFFFAOYSA-N 416.488 1.178 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c(C)n1 102757411 POFLKRURLQXJGH-VZCCSQPZSA-N 412.446 1.440 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 410213888 IDRYXQQTJUSOEZ-QFBILLFUSA-N 420.535 1.829 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 430381799 BDQLYNJXZFEQJJ-UHFFFAOYSA-N 404.430 1.293 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433878861 SOSPEDGWBNZEBQ-UHFFFAOYSA-N 417.281 1.399 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NS(=O)(=O)CCC)c2)CC1 438323574 PVQFULIJIZOBSE-UHFFFAOYSA-N 423.539 1.290 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 440847621 TZELDWWAOWKAAA-OXQOHEQNSA-N 424.519 1.628 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3CCC(C#N)CC3)CC2)cc1 441147056 LAZRYCKRIJSZNM-UHFFFAOYSA-N 418.563 1.748 30 10 HDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)c2)c1 441318333 NZEBSDKJICOOQT-UHFFFAOYSA-N 402.414 1.751 30 10 HDEE O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@@H]1CCCN(CCO)C1=O 442291576 DFGRTYXTRADTFM-HXUWFJFHSA-N 405.454 1.124 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 443101777 MSEZCHPQAGYXBZ-MRXNPFEDSA-N 400.416 1.718 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 460274462 AUAXUWHPOCXIIR-UHFFFAOYSA-N 415.471 1.388 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cn1 462077080 PSUOMYVMQSUJEI-CQSZACIVSA-N 414.372 1.979 30 10 HDEE COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 462121906 IKXUAHDCUPBCBL-YGRLFVJLSA-N 406.240 1.846 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 465526047 XGSZADYZQJRCNU-UHFFFAOYSA-N 421.457 1.008 30 10 HDEE CCOC(=O)c1csc(CCNS(=O)(=O)c2c(F)cc(C#N)cc2F)n1 468760245 ANJSSXXVZJXEOU-UHFFFAOYSA-N 401.416 1.991 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)C1 471148566 NSQMPEDXSVKOOV-FCHUYYIVSA-N 413.566 1.342 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 477977451 SWZFKYJFDMYBDB-UHFFFAOYSA-N 409.446 1.443 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 480953504 KTZAOHHQZNTHEH-UHFFFAOYSA-N 402.398 1.977 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ccc(F)cn4)CC3)C2=O)cc1 487179404 IGPUVQQYIFJWDE-IBGZPJMESA-N 422.464 1.725 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H]3CCCCN3C)CC2)c1 501102049 QAZZJZSLRRJXII-LJQANCHMSA-N 420.579 1.393 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 508946291 RYNPVGIBUMCEPX-MRXNPFEDSA-N 404.540 1.967 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1C 509943124 IUXYSQFPZDXGMH-UHFFFAOYSA-N 414.487 1.949 30 10 HDEE C=CCNC(=O)NC(=O)CN[C@@](C)(CC(=O)OC)c1ccc(Br)cc1 513154188 NYYKYMOTUXSNOS-KRWDZBQOSA-N 412.284 1.829 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3cccc(F)c3)C2)CC1 522606622 AQKMTPFVLPEDNP-GOSISDBHSA-N 403.502 1.424 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C)c2=O)n1 531654673 OUXGJJKXYLSQTC-UHFFFAOYSA-N 420.494 1.250 30 10 HDEE CCOC(=O)CC[C@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 534071930 GMPNKZURBJLGJY-XJKSGUPXSA-N 400.435 1.611 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O 535884066 ADODTQLZBRYKEE-GDBMZVCRSA-N 422.844 1.317 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 539503397 DYYREJLKKITKAS-GFCCVEGCSA-N 406.468 1.389 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(Cl)c1 546178932 WUSLROHQQIVGSO-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cn1 547313449 HTWYSCOFMTXMHG-UHFFFAOYSA-N 424.442 1.086 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 549255152 BYMGKCFEDRJRCC-INIZCTEOSA-N 406.512 1.219 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c1 555575413 USOPITUHLZZJNG-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccn(Cc3ccccc3)n2)cc1 581995797 ADLUYBUEJBLZFD-UHFFFAOYSA-N 409.471 1.398 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(-c2cccc(C#N)c2)no1 583123456 POLBBORAAHXUKS-JOCBIADPSA-N 409.398 1.778 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C#N)CC(C)C 588952181 FJQHQQXVQWHICN-MRXNPFEDSA-N 422.551 1.689 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c(Cl)c1OC 592986595 YOTRXWQVPXTBET-UHFFFAOYSA-N 418.902 1.990 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccc(F)cc1 603785998 DLNAZEAHWRAKIV-UHFFFAOYSA-N 411.483 1.881 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccccc1C#N 604000842 DOIUMRMBTAHRTN-UHFFFAOYSA-N 420.881 1.673 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2C1=O 619106169 WIELLSXESGHCPJ-UHFFFAOYSA-N 401.426 1.698 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccsc2)c1 727867901 ITPLBTKFUHTIHX-LTGZKZEYSA-N 420.516 1.929 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)c2cccc(Br)c2)CC1 728530689 NEHYLMBQBVUDPL-UHFFFAOYSA-N 406.324 1.620 30 10 HDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CN2CCC1CC2 732158645 ABQUDXXWKZAVLJ-SFHVURJKSA-N 418.563 1.838 30 10 HDEE COc1cccc([C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N(C)C)c1 732439019 DCZLQEKABLNUKU-NXDJFEHLSA-N 401.467 1.124 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CCN1C1CC1 732648725 XKZRUGOXAHHTMI-DLBZAZTESA-N 408.458 1.274 30 10 HDEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1 732665123 XPTYVOOAAGQOFC-GOSISDBHSA-N 404.536 1.479 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 734292906 ZDEKKODSHWHDDH-UHFFFAOYSA-N 418.475 1.172 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C)cc1 734925126 XTPKSVVKPISACV-SIKLNZKXSA-N 421.453 1.946 30 10 HDEE C[C@@H](CC(=O)Nc1cnn(-c2ccncc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742621554 QEUMEUNZWQVFFD-ZDUSSCGKSA-N 410.459 1.723 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@H]1CCCO1 743729132 WXKPZOHITVJHSF-TZMCWYRMSA-N 417.556 1.972 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 746214429 BXWHRVQMHOFESY-UFOSLELVSA-N 418.450 1.582 30 10 HDEE COc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N 746748619 UGJFUVWYSSLILY-UHFFFAOYSA-N 420.413 1.680 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 750406903 AQUAWTHRZQPFNS-UHFFFAOYSA-N 401.444 1.776 30 10 HDEE CCn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)c2ccccc21 757579105 QIKYNPZLNNCCFI-DZGCQCFKSA-N 411.462 1.905 30 10 HDEE CCc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 759174036 ZXVHYUOXQFEIOC-UHFFFAOYSA-N 406.485 1.784 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C#N)C(C)(C)C)c(NS(=O)(=O)C(F)F)c1 763089525 HLDLTIXMSJVGSO-LBPRGKRZSA-N 411.452 1.876 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1 764911773 CRAHYPVBHVTZHY-QJOMJCCJSA-N 415.475 1.263 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN(C)C(=O)OC(C)(C)C 766351634 DJCZQPDLTCDSIM-CYBMUJFWSA-N 411.480 1.635 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 767679754 IMEBHUIJRCREHX-ZDUSSCGKSA-N 413.496 1.270 30 10 HDEE C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCN/C(O)=C1\N=CC=CC1=O 768686985 CIUVXHIIWWZTBF-UICBKRPASA-N 408.499 1.517 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 773066136 RBBHDERRZWZOOZ-GDBMZVCRSA-N 409.508 1.748 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 774146323 NATKXNGBOPTZOO-DLBZAZTESA-N 423.535 1.138 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C(CC)(CC)C2)c1 779360094 GYOPYSJBPFXUIN-UHFFFAOYSA-N 412.533 1.028 30 10 HDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 780029748 NCGNOMADGWLHBK-UHFFFAOYSA-N 403.298 1.822 30 10 HDEE CCN(CC)Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 787885196 HYQMCFQWABRAEB-HNENSFHCSA-N 413.478 1.110 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 790105068 PPEUXHXEJQXDLN-CGTJXYLNSA-N 400.479 1.055 30 10 HDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794579176 SBVKVYYYZCUOLQ-OAHLLOKOSA-N 420.494 1.242 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(COC)(C(=O)OCC)CC1 797386405 PAUCSIBKAMVUCP-UHFFFAOYSA-N 420.437 1.595 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1=O 798466249 RUOTZFDGEMXFAF-LBPRGKRZSA-N 418.269 1.765 30 10 HDEE C[C@@H](C(=O)OCC(=O)NCc1cccc(OCC(F)(F)F)c1)n1cnc(C#N)n1 798743110 YJRGHDXKDZZMOG-NSHDSACASA-N 411.340 1.511 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2Cn2ccnc2)n1 799819626 POEKBUGGMKPSBY-UHFFFAOYSA-N 413.503 1.598 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1 1116380218 KZOFXCSCVDUWGA-PMACEKPBSA-N 415.490 1.912 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1cc(C#N)[nH]c1C)c1ccc(S(C)(=O)=O)cc1 1139288880 YLPASZMFGFJCTA-LJQANCHMSA-N 403.460 1.807 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[S@@](=O)[C@@H](CC)C2)s1 1140457059 KXKGZOUQSRIURG-XRZQFLCQSA-N 404.579 1.513 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(C(N)=O)CCCC3)C2)C1 1146446675 DVIURUQFLVWKLU-DBWCEAHUSA-N 404.511 1.935 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 1154299952 RCLCZAZKLIAIIA-OWZDWXTDSA-N 419.503 1.448 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCOC[C@H]3OCCOC)n[nH]2)c1C 1154565777 JNKYAQQRHWYPTC-MAUKXSAKSA-N 403.483 1.626 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)ccc1F 1176997884 ISBDWOOVZBJLOB-UHFFFAOYSA-N 408.426 1.773 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1177735550 NURJTMHCMABTEK-UHFFFAOYSA-N 410.474 1.966 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccn1 1178757809 VOSOBFSQIYSLKD-LIRRHRJNSA-N 420.491 1.117 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCCC1 1180999545 APQKQATWWNLTOR-UHFFFAOYSA-N 402.451 1.496 30 10 HDEE CNS(=O)(=O)c1cccc([C@@H](C)NCC#CCN2C(=O)c3ccccc3C2=O)c1 1192547798 VKHYXGQKYRIGOW-OAHLLOKOSA-N 411.483 1.545 30 10 HDEE COc1ccc(CN(C)C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1F 1198072677 ZDOCNPGDQKBUSO-WTANOLMUSA-N 409.483 1.051 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1286277771 HCWIBRDUTJDJMA-CVEARBPZSA-N 420.535 1.912 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286348811 AEUNJRRZRNYKPD-MSOLQXFVSA-N 419.595 1.904 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 1286349386 IMNNHMGHFXKDOL-DOTOQJQBSA-N 421.523 1.815 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286386693 GBNAKXDQUSNJLT-JZXOWHBKSA-N 417.535 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cc(C)oc1C 1286416848 YYOGBNVNUACBHV-QFIPXVFZSA-N 409.490 1.591 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1286434415 ZCNGTKBAAYFZFV-WZONZLPQSA-N 419.485 1.732 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1286451983 QIVZBLYGTBSNKD-HOCLYGCPSA-N 424.596 1.712 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CC=CCO2)CC1 1286473094 IDXPELRAAWPDDE-LJQANCHMSA-N 408.462 1.954 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCCC2)CC1 1286482219 NOPXJGPOJKICIZ-UHFFFAOYSA-N 412.563 1.731 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286600245 KQLRPDFEFBSFGX-MRXNPFEDSA-N 418.542 1.312 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1C 1286774138 ZXWGEXNRXGQVQK-IXDOHACOSA-N 412.556 1.492 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1288982316 SPEAQGMCQLVAKU-XDSRXIPYSA-N 409.494 1.887 30 10 HDEE Cc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1/N=CC=CC1=O 1290725661 SQNUJENGCGYLMN-NXVVXOECSA-N 404.862 1.136 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1290880549 IOFIEOAVAHUZRK-YYIAUSFCSA-N 418.498 1.340 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccc(OC)n2)CC1 1292469774 GSBIQXPEFDQXCS-OAHLLOKOSA-N 403.483 1.441 30 10 HDEE CC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1293393421 XVLOMKZVJOFVKK-ZJYNUGOYSA-N 422.493 1.888 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1298244220 BWCSSAGNTATVAF-PEZBUJJGSA-N 423.399 1.809 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCN(CC)CC1 1300268015 MIRHBTODGCGPNQ-ZWKOTPCHSA-N 417.602 1.680 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1300307105 BORJDIIVXAMNJR-DLBZAZTESA-N 407.584 1.903 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1300330608 ZUVHIAJLRUALBQ-BFYDXBDKSA-N 413.526 1.808 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(OC)c1 1300505929 KSVIHFNVRODBNK-UHFFFAOYSA-N 421.501 1.847 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)NC(C)C 1300521956 YCZVAZBMXDVHIL-UHFFFAOYSA-N 419.938 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1301493127 VBHYYVKSEOIMAC-INIZCTEOSA-N 412.494 1.218 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1301620357 FAEBZUQEZFCNLO-UHFFFAOYSA-N 407.519 1.990 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCSC1 1301964446 AFOFVXIGBRUENN-KPZWWZAWSA-N 404.496 1.470 30 10 HDEE CC1=CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1304596908 SCNSRYSNURVTRH-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@]2(CCOC)CCOC2)c(C#N)cn1CCOC 1310523020 GEEXQMYATURRDX-IBGZPJMESA-N 408.455 1.500 30 10 HDEE C=C1CN(C(=O)NCC2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1311987647 YUJSEJQQQPUXFT-UHFFFAOYSA-N 409.508 1.686 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCOC1 1316101524 LXMPBWDVVLAFRR-OAHLLOKOSA-N 416.482 1.799 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1320349629 CCVGPSWKJCLWJO-QGZVFWFLSA-N 409.508 1.194 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CC=CCC1 1358997246 LAOBWFGMAVTXOV-UHFFFAOYSA-N 422.558 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cccs2)CC1 1359033455 CJTIFGBGKJKSIC-UHFFFAOYSA-N 421.530 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)CC 1359071877 HCMIXNDJTDGQBX-HXUWFJFHSA-N 419.526 1.939 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359332076 OKQIRNYOHHLRQI-HXUWFJFHSA-N 424.567 1.921 30 10 HDEE CC(C)(C)n1cc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1439793565 FGNSTVDXKSEAHP-ZUZCIYMTSA-N 415.313 1.411 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(Cc3ccccn3)CC2)c1 1441669763 WHHGKZVPDCYOLU-UHFFFAOYSA-N 416.478 1.912 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1446141054 QBVSFHXXSIBVQO-GJZGRUSLSA-N 418.498 1.315 30 10 HDEE COc1ccc([N+](=O)[O-])cc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446717728 VCEAHBJKDZPPNL-UHFFFAOYSA-N 407.379 1.970 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 1455184526 RZDFWUDYRXBOGA-UHFFFAOYSA-N 401.448 1.865 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)c1 1455868647 UJLVTVBLIUBUSE-HXUWFJFHSA-N 404.488 1.834 30 10 HDEE COC(=O)c1cnc([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)s1 1460861779 BSEUIMSOIPNAJP-HOTGVXAUSA-N 419.551 1.411 30 10 HDEE C=CC[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1466783652 TZKUCFUMDOOGLK-OLMNGRFOSA-N 424.494 1.798 30 10 HDEE O=C(Cc1ccc(Br)cc1)N[C@@H](C(=O)NCC#CCO)c1ccccc1 1467503241 GSYDGSRPASWNMR-LJQANCHMSA-N 415.287 1.961 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)Cc2ccc(F)cc2)s1 1471900744 RTHYFSSXLDRDSY-HNNXBMFYSA-N 412.508 1.614 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3C(=O)c3ccccc3)C2)c(=O)nc1O 1472371555 SZIWKQNVPSNAPI-UHFFFAOYSA-N 400.394 1.749 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN1CCO[C@](C)(C#N)C1 1473837061 IUZHZKHAFNYRPJ-GOSISDBHSA-N 423.311 1.769 30 10 HDEE C#CC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1475378366 NEZWOFBRWUTSPV-HOTGVXAUSA-N 412.895 1.429 30 10 HDEE COC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(F)c1 1478341351 BNLXAZHWSOGHPN-OAHLLOKOSA-N 405.361 1.053 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1478673930 JRFKDENAHKPOGB-SJORKVTESA-N 403.479 1.905 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCC2(CNC(=O)OC(C)(C)C)CC2)CC1 1478923691 IKLJRVRIEYCOHM-UHFFFAOYSA-N 406.527 1.852 30 10 HDEE CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500330163 VWCLJLRGFVSKOW-HOTGVXAUSA-N 423.525 1.796 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1502727549 AZHXLECYUUNEIW-XLIONFOSSA-N 415.498 1.025 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1507730872 XEUMSDOTHVCKQG-IBGZPJMESA-N 411.554 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507734318 UXEZNLXUFFWZPD-BTYIYWSLSA-N 403.527 1.081 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1508089710 ZAUXYJCUSRMPGR-UHFFFAOYSA-N 408.506 1.810 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@@H]3C)n2CC(C)(C)O)o1 1510816947 DYTQOWSMODYGQK-AWEZNQCLSA-N 422.493 1.994 30 10 HDEE Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1511571600 APRHYPKKRVJZFC-ZMSDIMECSA-N 414.514 1.595 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@H](OC)C2)CCCCC1 1513403644 QHUGGZRHTPHMKW-YBRIYBKASA-N 400.519 1.726 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)nc1 1519274540 CCIYNYSMXHJHAI-IFXJQAMLSA-N 404.446 1.896 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1526133302 MXMFYMXXFJUIJY-OAQYLSRUSA-N 401.463 1.749 30 10 HDEE Cn1c(=O)oc2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c(F)cc21 1528297428 MMRCEHPXMCGXQI-UHFFFAOYSA-N 418.406 1.715 30 10 HDEE Cn1nc(C(F)(F)F)c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1Cl 1532110524 ACYAQWJUQNMAQY-UHFFFAOYSA-N 421.788 1.770 30 10 HDEE CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@@H](C)C#N 1533905777 CWINJNGABCGAEG-JKSUJKDBSA-N 420.535 1.831 30 10 HDEE C#CC[C@@]1(C(=O)NCC(C)(C)CS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1534489123 BSDNXFGVBPQDRU-IBGZPJMESA-N 400.541 1.966 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(C)CCc1cccc(C#N)c1 1536019993 WBZMWNRBVJKXKS-UHFFFAOYSA-N 409.490 1.833 30 10 HDEE CCOC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Cl)c1 1538766542 WSCMSOOXBWBIOU-APPDUMDISA-N 411.867 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1538972458 ICPAQBHTOUBEOS-WCQYABFASA-N 405.300 1.783 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1539034882 KMOQVTWDQGWQCG-ZBFHGGJFSA-N 414.514 1.985 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539044429 ASBUXWILIAMBQY-IRXDYDNUSA-N 421.505 1.976 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1539306626 JIVGXIRXEVKULU-UHFFFAOYSA-N 416.489 1.861 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1539350774 YMDLVFGODQZKJV-UHFFFAOYSA-N 401.536 1.904 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(c2ccccn2)CCC1 1539412947 FGKMPDGYNCXQHX-QGZVFWFLSA-N 408.506 1.832 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2F)CC1 1539428484 RVOXYQICKUSVOJ-UHFFFAOYSA-N 410.497 1.765 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 1539474855 RTBOPDJPPAEMAZ-KRWDZBQOSA-N 408.543 1.306 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCCCC2)CC1 1539476114 SOOGXRFZPWXXEU-UHFFFAOYSA-N 421.549 1.792 30 10 HDEE C=C(CO)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1540611097 CTQNZHVEISGZDJ-DHDCSXOGSA-N 422.459 1.413 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1540858480 YGTUBKLAFISLAW-CHWSQXEVSA-N 410.500 1.483 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541364474 LESNMGXANKGBJY-IGGDJGDASA-N 424.509 1.104 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOCC2CC2)C1 1554356932 WRWZSBVPINOEOF-QFIPXVFZSA-N 410.522 1.746 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[C@H]2COCCO2)c1 1555988097 XCKWHEMPFKJFBA-HKUYNNGSSA-N 424.505 1.714 30 10 HDEE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@@H]1CCN(O)C1=O 1556749498 INNLSWPZSRCTCM-ZGSOTFDTSA-N 411.530 1.836 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 1557239434 CIKBCSVEVVRHSU-SFHVURJKSA-N 409.490 1.850 30 10 HDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cc2n(n1)CCCC2 1557277802 ZKGMDWMCOJPCNN-AWEZNQCLSA-N 415.519 1.916 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1cccc(Br)c1)C1CSC1 1557438851 HRHDBIMOHUKHKU-UHFFFAOYSA-N 417.350 1.695 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1558345965 KHJWKVHRHPMCLR-QRWLVFNGSA-N 402.499 1.774 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1561671377 CCGUKXCLFLZRMB-CYBMUJFWSA-N 419.381 1.019 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)n1 1563100302 JYELXJURUDGUJQ-UHFFFAOYSA-N 410.482 1.614 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1563646928 BCHUTXCNAHWIKZ-UHFFFAOYSA-N 406.483 1.228 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564585253 FBZJTDCDACKQAY-HKUYNNGSSA-N 406.458 1.349 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1 1583105788 WVGNCQZQWBRSJK-UHFFFAOYSA-N 414.483 1.650 30 10 HDEE C=CC[C@]1(C(=O)NCCC(=O)NCCC(=O)OC)CCCN1C(=O)OC(C)(C)C 1587838944 MSAZBJKKRMNPPY-HXUWFJFHSA-N 411.499 1.518 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588034307 CWSGNWRXRCLXSF-OAHLLOKOSA-N 408.911 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCNS(=O)(=O)c1ccccc1 1588245856 SSOGUPWJUYARBT-UHFFFAOYSA-N 411.531 1.672 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[S@@](=O)CC 1588481287 HHKCCUFQTCRENE-ADKRDUOOSA-N 417.510 1.777 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1588637496 GUWNWQWGFDYNIM-HNNXBMFYSA-N 407.540 1.227 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCCSC)CC1 1588806606 WMXDTENLBATRMB-KRWDZBQOSA-N 404.584 1.908 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1589077783 ADVBPRZKVFYTJQ-UHFFFAOYSA-N 419.595 1.918 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCCCS(C)(=O)=O 1589198020 OJRBETNCYANYLN-LJQANCHMSA-N 404.540 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F 1589227767 AYBPNMFHAOAYML-GOSISDBHSA-N 406.412 1.935 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1595561741 AKMLVHFAMMAGLL-ZDUSSCGKSA-N 411.553 1.102 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1C(=O)OC 1607288654 JSXPSMMRLBHQDY-GJZGRUSLSA-N 401.419 1.088 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCc1nccnc1C 1614028347 AMANCNQUGJHACO-HNNXBMFYSA-N 418.509 1.558 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H](C)N(C)C2CC2)CCOC1 1616205354 HFQLTENUDIAYJN-CWFSZBLJSA-N 406.506 1.855 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)N(C)C2CC2)CCOC1 1616205356 HFQLTENUDIAYJN-RYGJVYDSSA-N 406.506 1.855 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCn2ccnc2C1 1619910048 SWSIBUMGZAACPE-MRXNPFEDSA-N 414.514 1.242 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCn2ccnn2)cc1 1620350120 CWICYGKHJDEZHX-KRWDZBQOSA-N 419.493 1.590 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCCO2)nnc1N1CCCOCC1 1620385367 XWFMSOHRMSPLRA-GWOGKKTRSA-N 416.482 1.273 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1622925439 JKAMQLHIFZPLEN-RELWKKBWSA-N 418.519 1.882 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H]1c1cccc(F)c1 1623669662 UGMVVGDSQSADLV-AZUAARDMSA-N 407.449 1.961 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1624918926 QCXNMGBZZMFAIM-UHFFFAOYSA-N 416.522 1.820 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3Cc4ccccc4O3)CC2)cc1 1625121081 FIRZBFFSTIASIE-GOSISDBHSA-N 411.483 1.785 30 10 HDEE N#Cc1cn(CCC(=O)NCCOc2ccc(Br)cc2)c(=O)nc1O 1626123164 VAMWWBGLVACGGH-UHFFFAOYSA-N 407.224 1.168 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1626204446 DLOWXSNGCUCAIS-MRXNPFEDSA-N 412.508 1.379 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)s1 1627747363 VMQSNFPCXFDKAO-LBPRGKRZSA-N 411.509 1.041 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1628332467 QHOZSCIRNZQGAN-ROUUACIJSA-N 403.479 1.121 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1628917160 DAOCLXGQNUNDHZ-DJPFJPOOSA-N 416.547 1.569 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1cc[nH]n1 1629072431 JMVTYOSOIVDIPQ-OAHLLOKOSA-N 404.423 1.494 30 10 HDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1630762194 MBZCGYBZQDZGQI-UHFFFAOYSA-N 421.501 1.798 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 1635629436 NCBPQMBVODWEBM-NRFANRHFSA-N 404.430 1.380 30 10 HDEE CC[C@H](COCC(F)(F)F)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1636295449 LASWQENQHRHMIQ-CYBMUJFWSA-N 407.414 1.884 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)C1CCCC1 1636570471 LWGICBRCQQVVKL-RBUKOAKNSA-N 419.551 1.279 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)cc1 1637576852 VRPSAGIVAXRTLD-GOSISDBHSA-N 409.471 1.578 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1 1639120451 ZGNAGMSKQQOHCH-KRWDZBQOSA-N 403.504 1.215 30 10 HDEE C#C[C@H](NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 1642792099 YERRAZLFMRRXSF-OALUTQOASA-N 405.520 1.570 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OCC 1643589669 MEUTVQGZMXTDHX-MRXNPFEDSA-N 422.913 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1645737860 NTLISIIUHJXLEE-MRXNPFEDSA-N 421.494 1.366 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@H]1CS(N)(=O)=O 1645748488 NJUBWXGBBYUSTG-HIFRSBDPSA-N 403.460 1.727 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1646157178 GKFZPPWDZZDHDO-CQSZACIVSA-N 402.447 1.052 30 10 HDEE C#CCN(CC(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C 1648355798 AJUXRYLHQHVVST-UHFFFAOYSA-N 417.462 1.725 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1648776244 OIFLEQCWBJPDBI-SHTZXODSSA-N 407.492 1.384 30 10 HDEE O=C(NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cccs1 1651221129 OUKJHQMWFLXPAY-UHFFFAOYSA-N 401.444 1.772 30 10 HDEE C[C@]1(c2cccnc2Cl)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1652730412 RPHNEMZLSVPMCP-OAQYLSRUSA-N 422.828 1.802 30 10 HDEE C[C@@](Cn1cccn1)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O 1655844838 VUCSRHACIOYXJK-IBGZPJMESA-N 400.508 1.557 30 10 HDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3cnn(CC(F)F)c3)CC2)c1 1655845869 IAUKYZQMGIHVCF-UHFFFAOYSA-N 409.462 1.963 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3c(Cl)cccc3S2(=O)=O)c1 1656819625 XGFDBFGQBHIZLF-UHFFFAOYSA-N 417.830 1.814 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1[C@H]1CCCO1 1663265224 BZWPPPABFXBJOX-UONOGXRCSA-N 401.282 1.889 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 1668657762 VXHQOUVFCBSAQV-IBGZPJMESA-N 410.522 1.359 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1 1679274579 SWAUKUXVGCIKJJ-UHFFFAOYSA-N 407.517 1.846 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)O1 1682315940 AOYHSHUSKCPPIO-VVLHAWIVSA-N 401.515 1.066 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)n1 1684379907 NTWUEGHKDQCPBA-UHFFFAOYSA-N 405.499 1.732 30 10 HDEE COC[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCCOC1 1685235925 AKUBPWIAKCJXBU-RDJZCZTQSA-N 403.483 1.697 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 1687593631 VMELUHXXGAPNDO-WBVHZDCISA-N 424.423 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1689824215 KFHSQCGSXYZSOO-QGZVFWFLSA-N 402.543 1.519 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1689892477 GOJZYWDACYPRHK-IAGOWNOFSA-N 421.567 1.479 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1690073900 KUIGEYJFTOPSGV-GOSISDBHSA-N 401.559 1.106 30 10 HDEE C#CCN(CC)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690075898 XHMXYDFLDSNSRP-UHFFFAOYSA-N 408.506 1.659 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690490253 UKOOCPDRSYOXRZ-KRWDZBQOSA-N 400.527 1.958 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690646341 QNACJJNIGGVUEL-UHFFFAOYSA-N 415.523 1.221 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690742500 SJTOQZNSOTWXOX-HNNXBMFYSA-N 404.584 1.864 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)CC1 1692848892 QGJZGIYJNOSZSM-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696281832 HZWWPAIMKUIYKE-YEHYNYCHSA-N 418.498 1.202 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1697449277 DDMKASAHJGODRX-GJZGRUSLSA-N 412.450 1.023 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)c1 1697522756 HGSLQTYOMZLXES-QGZVFWFLSA-N 412.494 1.845 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1698490419 VDFIAUYPAIGWMX-IBGZPJMESA-N 413.478 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705484173 KENPZKKMJGZUAZ-SCLBCKFNSA-N 408.911 1.606 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705551292 KVKWCLKAQJHXEM-OAHLLOKOSA-N 404.492 1.334 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705559842 GHHWBVLTRIATRI-DNVCBOLYSA-N 406.508 1.529 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1705570069 JZYIWONTAOBWBP-HNNXBMFYSA-N 401.492 1.616 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCOC[C@@H]2C)CC1 1705644442 QVMFSMZXQWVLLB-ROUUACIJSA-N 416.570 1.478 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCn1cc(CO)nn1 1705677035 YKFYKPGOAVQCCL-OAQYLSRUSA-N 423.525 1.306 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cnn(C)n1 1705678858 ROMCXADRTXKAHG-DJPFJPOOSA-N 413.526 1.756 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1705736468 TVOYWSOZWSBCRU-UHFFFAOYSA-N 411.510 1.777 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCC2)C1 1705929804 YGAVNBIZIZESTI-OALUTQOASA-N 416.570 1.914 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC#N 1706655777 HLUVSGMOINAETI-OAHLLOKOSA-N 415.523 1.883 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1708264317 HCUHUJVJWPYRAQ-CYBMUJFWSA-N 406.537 1.308 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1711303392 SKLIOUGFVXRSBU-WMLDXEAASA-N 423.521 1.550 30 10 HDEE COc1cc(OC)cc(N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1711706157 VQLUUWLSCPDRRG-HNENSFHCSA-N 412.450 1.898 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCOCC1 1712647474 AGWVQGRAGKOPBY-BZSNNMDCSA-N 405.499 1.548 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722285288 VDQLVFLSEDXQLF-AZUAARDMSA-N 424.549 1.775 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@]1(C)OCCc2sccc21)[C@@H]1CCS(=O)(=O)C1 1722364621 MCAKMEXHBSXLDY-DNVCBOLYSA-N 420.560 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](C(C)C)N1CCOCC1 1722383068 HEBQPQVJGJQOSK-NRFANRHFSA-N 406.534 1.694 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCc2ccco2)CC1 1722436488 IBGOGIZDEKJBOA-SFHVURJKSA-N 412.494 1.184 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1722476839 KWQDIIYIVFBLBK-UHFFFAOYSA-N 421.299 1.988 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC 1722514727 IJEFRZXCPDWCKF-UHFFFAOYSA-N 417.539 1.468 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1722592998 FAKSXSSVTGFHQC-KKSFZXQISA-N 421.542 1.484 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1722865464 HLQZYJNZJMOGCL-HNNXBMFYSA-N 413.478 1.854 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1723883034 DDULXEZOYBNVHE-KBPBESRZSA-N 407.496 1.554 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@@H](C)CC#N)n1CCNS(C)(=O)=O 1723976661 CZYQWLAQPSTRJJ-KBPBESRZSA-N 424.502 1.845 30 10 HDEE Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726411792 KLSQZULDSTVBSP-UAMJFUFUSA-N 402.499 1.754 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1728754399 HPPRPPFZWGKWRX-NIQRWSHPSA-N 416.482 1.055 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCOC)c1 1740561717 BBYDZNIJDPDZTA-GOSISDBHSA-N 424.505 1.712 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1740586915 RVYXLELHGWBOHT-UHFFFAOYSA-N 402.476 1.365 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740743971 JMSLVZGITQMKAB-STQMWFEESA-N 412.288 1.722 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1740795303 RTQREEMLJPUDJW-KRWDZBQOSA-N 422.555 1.626 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1740887515 JQBTXFCYQBHGQR-AWEZNQCLSA-N 411.553 1.866 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(OC)ccc1OC 1740946463 SLQYKDSOBBFREG-INIZCTEOSA-N 401.467 1.431 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1740957621 UUIDIWLOTOYFSR-QHCPKHFHSA-N 420.517 1.992 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)NC2CC2)C1 1740969814 BPJKTYSALBHTOG-KRWDZBQOSA-N 416.526 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1740989828 YQEJMJYZLBSENQ-CQSZACIVSA-N 405.455 1.414 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1741016273 HDRRTGNAQHCNGW-QGZVFWFLSA-N 409.494 1.210 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1741517392 BOZHZDLIPAKASO-DNVCBOLYSA-N 406.556 1.863 30 10 HDEE CCN(C)C(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745888189 CAMMTXPZDDZSSL-OAHLLOKOSA-N 423.525 1.401 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1748717715 GXVQDZJMFQARPP-DOTOQJQBSA-N 407.540 1.041 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCNC(=O)C(C)C 1748738702 MTAHVRXTCMQTCA-UHFFFAOYSA-N 421.509 1.543 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCN(C)C1 1748837344 CTNSAAXHFIPMFJ-HSZRJFAPSA-N 400.486 1.633 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC(C)(C)C)CC1 1748993672 HQLSGIKOJPDSTG-UHFFFAOYSA-N 414.579 1.990 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1749065692 ANTFCZWRTSYSEJ-QEEYODRMSA-N 419.551 1.087 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749489415 VLXBYGAWBTWXFG-RCCFBDPRSA-N 423.583 1.999 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1749536324 HTRNUFLGUKOVMN-OAHLLOKOSA-N 405.524 1.606 30 10 HDEE O=C1CC[C@H](c2nnc(N3CCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1750415760 DMJVEEJJZQIKQO-UFOSLELVSA-N 413.482 1.136 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCSC1 1750646426 WOVBITDQETWKNC-FQEVSTJZSA-N 413.551 1.863 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750994977 FDUCNXXIWSUOBO-KRWDZBQOSA-N 413.551 1.632 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1751007107 OTEGLONHBKEYTB-XNFNUYLZSA-N 407.515 1.597 30 10 HDEE C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1751135798 AMDPBFOQJPLEIY-ZDUSSCGKSA-N 405.466 1.220 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1760145922 YCJWWZNWJGRSCT-OAHLLOKOSA-N 419.555 1.852 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760156130 WDJDHAALKSVXFD-UHFFFAOYSA-N 407.478 1.198 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760186963 BNEDNGBAKPNDBH-QGZVFWFLSA-N 419.551 1.725 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2csc(COC)n2)CC1 1760257714 GDEKTKHKVXPFOM-UHFFFAOYSA-N 409.519 1.747 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2([S@@](C)=O)CCC2)CC1 1760273441 UPFPBXWKHHIZHL-GDLZYMKVSA-N 421.567 1.082 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760440493 LFNLJXQPXQWKSY-DLBZAZTESA-N 402.543 1.537 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1 1760525478 HIEJFLBQOKUFII-SFHVURJKSA-N 408.462 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](COCC)C1 1760554067 QHYOGEHDLCBJBH-MRXNPFEDSA-N 420.539 1.589 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760559600 QZUQPWWUDRFQOK-AWEZNQCLSA-N 421.527 1.605 30 10 HDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1760566610 YGCQIMHCOGNQIQ-UHFFFAOYSA-N 401.602 1.868 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1761286253 SDJOOIJFJMWPEG-PMACEKPBSA-N 414.514 1.626 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1765482877 PJIRORJCAFYJTK-ULQDDVLXSA-N 404.515 1.453 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCO1 1769845328 LXLNDDRQTJWRMU-JKSUJKDBSA-N 411.528 1.116 30 10 HDEE COCC1=CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1770858957 SBSSZQCGIQYBPY-CYBMUJFWSA-N 420.495 1.184 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1770989022 YKZYIPKQXJRUSL-IDPBPBMLSA-N 421.542 1.920 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCOCC1 1771111929 ATAVCLZZHVXBDG-SFHVURJKSA-N 420.558 1.649 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCC1 1771368105 AUHINNNGNYDUQL-GDLZYMKVSA-N 412.519 1.444 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1O 1771487980 IVLMKZZBTFLVEA-QAPCUYQASA-N 424.505 1.306 30 10 HDEE COc1ccc(OC)c(-c2ccc(N3CCN(S(=O)(=O)CC#N)CC3)nn2)c1 1848723175 YISDOEXXYXAGIT-UHFFFAOYSA-N 403.464 1.136 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN2CCCC2)cc1 1850309489 GOQOJSNNYPTGIE-HXUWFJFHSA-N 419.547 1.454 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3cc(I)ccn3)CO2)nc1 1851305924 ZQJUKMNWSDPGIT-LBPRGKRZSA-N 422.182 1.930 30 10 HDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)[C@@H]1COCCO1 1852038755 MZUIEODMQOOXJF-NSHDSACASA-N 410.171 1.460 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)CO2)nc1 1852837122 MMHLZUAUZNQIQD-HNNXBMFYSA-N 414.368 1.667 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1853080834 HJKCTXLFAPWMRT-UHFFFAOYSA-N 410.499 1.777 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2=O)cc1 1853632081 OHWCBSWSMSDQJT-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1854310528 BGPCHHBJUMUUCT-PKOBYXMFSA-N 419.547 1.865 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2=O)C1 1854336174 MFEQYMOMBKXUTO-CJNGLKHVSA-N 404.417 1.969 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(OCCOC)cc3)C(=O)C2)C1 1854393156 CGXAQCXRJRZJIY-LJQANCHMSA-N 401.507 1.647 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)c1 1855135021 JIMUOKNCBZZXLK-QGZVFWFLSA-N 403.460 1.723 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855423926 IKTDYXBCYXZFDM-MJGOQNOKSA-N 423.579 1.749 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1855596460 KMTFUSKPLZHOLB-ZWKOTPCHSA-N 403.504 1.127 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855887814 HQVFUBYZVMXXAY-KRWDZBQOSA-N 403.504 1.379 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)CC1 1855938706 BMHBQLROPIRVOE-MRXNPFEDSA-N 412.490 1.255 30 10 HDEE COc1ccc(OCC(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)cc1 1856270833 DODZQXVOMWESHQ-UHFFFAOYSA-N 409.442 1.695 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CCn4ccnc4)C(=O)C3)C2)s1 1856361360 RIGIMHTZKOZENH-INIZCTEOSA-N 412.519 1.152 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@H](S(C)(=O)=O)C3)CCC2=O)cc1C#N 1856469607 FKKKPJSLFXXUQO-YJBOKZPZSA-N 403.504 1.364 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(Cc3ncon3)c3ccccc32)CC1=O 1856652382 VVVKNWBMGQILBE-LSDHHAIUSA-N 409.446 1.620 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1856745602 BOQSXTHRHCMQME-SFHVURJKSA-N 405.520 1.477 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@@H]1CCN(C)C1=O 1857055136 AFSOELBMOCLRGB-MAUKXSAKSA-N 417.481 1.932 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccccc2Cl)C1)[C@H]1CCN(C)C1=O 1857264510 NZXMLZVVDZIDBS-QAPCUYQASA-N 403.910 1.976 30 10 HDEE C=CCNC(=O)[C@@H](CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861513113 NJLPJXANNREYRV-GOSISDBHSA-N 406.442 1.688 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCCOC 1870574730 ANWWOSIXZKQDJQ-UHFFFAOYSA-N 405.524 1.902 30 10 HDEE N#Cc1cc(C(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)ccn1 1890335149 GOGPVUUDSUGLTF-UHFFFAOYSA-N 411.429 1.440 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 1917106919 DGRPYJIGMAQPST-UHFFFAOYSA-N 410.087 1.162 30 10 HDEE C#CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2062445489 YQRBAOPBNMXWAI-NEPJUHHUSA-N 413.272 1.031 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2118169717 JJFLTBPQMDZONY-SMLFXBKZSA-N 406.530 1.232 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174789461 QUWZTDIECOGSPV-AOTXYTFASA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243428205 IEIAZEQICBESJG-LSDHHAIUSA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820969 UFBNNQHPZKBQAB-ZDUSSCGKSA-N 418.303 1.614 30 10 HDEE N#CCCN(CC1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258154393 GCHXCEVTKQIKJC-INIZCTEOSA-N 409.464 1.321 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282008794 MAHRGOWEBDHXFS-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282334395 AQMYHZRCSVRKET-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N 2282353564 IHRSMBQLKAEODV-VXGBXAGGSA-N 400.375 1.699 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]23COC[C@@H]2C3(F)F)OC1(C)C 2282493167 VFBYJDVCZOGSFY-SMDDNHRTSA-N 407.269 1.360 30 10 HDEE CC(C)(C)[C@@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504103 JVHHAZPNJPKILV-ZDUSSCGKSA-N 403.375 1.874 30 10 HDEE C[C@@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282845733 YKWUGDXOYUJPJJ-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870157 NSCJDAYBVGQLEF-QWHCGFSZSA-N 403.331 1.130 30 10 HDEE CSC[C@@H](C)N(C)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870859 YNDOUXBKSPOHBR-LLVKDONJSA-N 403.379 1.400 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC(=O)O)C2CC2)OC1(C)C 2284416554 ZOHCHTHZEXDGTH-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331259796 BBQRNVYVTJAAKB-UHFFFAOYSA-N 422.467 1.581 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2355478549 JIRIKLYIECEQBR-XHSDSOJGSA-N 400.545 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)c2cncc(C#N)c2)C1 2361536992 JAYNOWPEUTVKOT-OAHLLOKOSA-N 402.423 1.876 30 10 HDEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CS(=O)(=O)C1(C)C 2362503259 OGXUSXMLUKNAQO-NSHDSACASA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2362569910 RGPQAVHSFZXBTR-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE CC#CCN(CC(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1)C(=O)OC(C)(C)C 2363069773 PFQFSQXRBLFNON-UHFFFAOYSA-N 416.887 1.154 30 10 HDEE C[C@H]1C[C@@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365242246 XPCZXBNYWCQMFH-SCLBCKFNSA-N 403.497 1.682 30 10 HDEE CCCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2367292003 WIYCDDOWXNECKJ-NXOAAHMSSA-N 400.541 1.188 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793776 DOPWESMDKFISTD-XHSDSOJGSA-N 401.525 1.638 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367808333 BWHKAMDPXLSNMH-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2367834455 RPRYBYXJYOWRIA-RKVPGOIHSA-N 400.541 1.163 30 10 HDEE CSCC1(NC(=O)OC(C)(C)C)CC(O)(C(=O)C#CC2(S(C)(=O)=O)CC2)C1 2367847145 STVSIVRNBNKKDA-UHFFFAOYSA-N 417.549 1.288 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(Cn3cncn3)c2)c1 49363620 BBMRBDRXIWIRLT-UHFFFAOYSA-N 409.471 1.168 30 10 HDEE C=CCN1C(=O)CSc2cnn(CC(=O)NCc3ccc(F)c(Cl)c3)c(=O)c21 65133002 UFUFGZAVZWWZSY-UHFFFAOYSA-N 422.869 1.977 30 10 HDEE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 97654880 LKNBCZFZEHLIGE-ZBTAVZRMSA-N 405.476 1.237 30 10 HDEE C[C@]12CCC(=O)N1[C@@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)CS2 253485808 RIDDYYJEAIEZBM-KHYOSLBOSA-N 416.528 1.852 30 10 HDEE CN(C(=O)C(=O)Nc1cc(C#N)cn1C(C)(C)C)C1CCN(c2cnccn2)CC1 435251151 FAPFORMHRCPONC-UHFFFAOYSA-N 409.494 1.971 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)s3)CC2)s1 435429273 VGXMWBGMKTVTTH-UHFFFAOYSA-N 412.518 1.764 30 10 HDEE CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1cccs1 444666680 RJRJBVYHUXPCMG-WMLDXEAASA-N 400.508 1.996 30 10 HDEE COc1ccc([C@H](C)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1F 460614247 LWTSLMDMMLUNIZ-ZDUSSCGKSA-N 422.420 2.411 30 10 HDEE COc1cccc(C(=O)NCCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 462083825 JZUFALSUNGKWHF-UHFFFAOYSA-N 405.418 1.699 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472248321 BXDPRURJMMHVEL-CJNGLKHVSA-N 404.540 1.196 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCOC2)O1 478337522 IMIXNZBRELUOIZ-GMBSWORKSA-N 407.492 1.022 30 10 HDEE COC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 482496011 QXWKVSCDDGNYTC-SCLBCKFNSA-N 405.451 1.868 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1COc2ccccc2O1 484638864 LLDVFCLLZLOILF-HOCLYGCPSA-N 415.471 1.571 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 490133881 WKPRKPKBBHNFIU-GFCCVEGCSA-N 401.466 1.444 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C)COc2ccccc2OC)CC1 490996822 NYLCGXGNSPRJHO-KRWDZBQOSA-N 404.511 1.340 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N(CCC#N)CCN3CCOCC3)c2C)nn1 502539986 VEWWLIGUWSFPOW-UHFFFAOYSA-N 413.482 1.058 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 503626697 JYBRVJHJAYVQDS-UHFFFAOYSA-N 423.450 1.262 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(CNC(N)=O)cc2)cc1 503690984 UJSZXZSFCYAFOY-KRWDZBQOSA-N 409.471 1.880 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 508889547 SWZIOTWSTLMNSY-UHFFFAOYSA-N 409.512 1.601 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)Oc2cc(F)cc(F)c2)CC1 509344311 NUALPTFBGMPBNB-UHFFFAOYSA-N 410.465 1.752 30 10 HDEE COc1cc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)ncn1 527007157 KMRMUYDYNWDUQH-UHFFFAOYSA-N 411.466 1.219 30 10 HDEE Cc1ccccc1N=c1nc(N)nc(CN2CCN(c3ncccc3C#N)CC2)[nH]1 532901660 JXYCWSYXBRSTCU-UHFFFAOYSA-N 401.478 1.517 30 10 HDEE N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 538901102 ZYPYZZHXBXLLQR-UHFFFAOYSA-N 411.846 1.080 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 540980525 MYEMINIGSQXZSC-UHFFFAOYSA-N 408.441 1.966 30 10 HDEE CSc1nc2nc(C)c(CC(=O)N3CCN(c4cccc(C#N)n4)CC3)c(C)n2n1 544834866 RCYCSJFNOJBCQG-UHFFFAOYSA-N 422.518 1.621 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)CC2)n1 545510458 JGKSWVREUSLVNX-OAQYLSRUSA-N 420.517 1.686 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=C)C)CC1 549731952 UAQBDPYWWNJQBZ-UHFFFAOYSA-N 405.506 1.817 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C2CCOCC2)CC1 554560045 VGJAZFORXOQHLI-HNNXBMFYSA-N 405.520 1.890 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1 558708537 YLKIZDZJLWHZRA-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE C=CCOc1ccc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1 577424778 HPFXANDWCWMKTH-UHFFFAOYSA-N 408.451 1.905 30 10 HDEE N#Cc1ccnc(C(=O)NC[C@@H](Cc2ccccc2)NC(=O)c2cc(C#N)ccn2)c1 578912526 JRQIEJFUNGCASL-LJQANCHMSA-N 410.437 1.991 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 580466993 BSCYWLPQMSLXIK-UHFFFAOYSA-N 409.490 1.623 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 582233901 HPAQGTZPRKOIBA-IBGZPJMESA-N 423.521 1.427 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCCC2 582755295 LXOHZZNETQKWRU-ZDUSSCGKSA-N 402.480 1.032 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C(F)(F)F)OC[C@@H]3C)CC2)o1 586777287 KFKMADZNEOAPAD-FZMZJTMJSA-N 401.389 1.155 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2ccc(C#N)nc2)c1 586837379 SXCGODKXCYDLTM-UHFFFAOYSA-N 423.292 1.733 30 10 HDEE C=CC[C@H](C)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 604881129 YIJYBCMYNMNDMH-NSHDSACASA-N 403.298 1.883 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCC2CCN(C(=O)c3ccccc3)CC2)cc1 610011965 ACCWVFCODZZQAH-UHFFFAOYSA-N 404.470 1.957 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 611224867 LSNDBHQPSPIRRK-NRFANRHFSA-N 405.502 1.866 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)NC1CCC(Oc3ccc(C#N)cn3)CC1)CC2 611264788 CNYDZTUIBXOOOQ-UHFFFAOYSA-N 422.489 1.988 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCC(C)C)cc2)CC1 615171797 VMCVQZARRPYGMC-UHFFFAOYSA-N 409.552 1.720 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H]2CN3CCCN2CC3)CC1 619874133 ZOVDCLPXJRYXDB-KRWDZBQOSA-N 424.505 1.529 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O 732190019 HLYCEUZFFJOKSU-LJQANCHMSA-N 409.490 1.614 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCN1C1CC1 732697375 XBXHTAQTTCZGCZ-LJQANCHMSA-N 412.494 1.161 30 10 HDEE Cc1cc(S(C)(=O)=O)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733937621 XEYUKIQSOFZYOH-UHFFFAOYSA-N 407.473 1.076 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc(C)c1CC 743908692 HATLRYCJJVUCIW-AWEZNQCLSA-N 418.519 1.933 30 10 HDEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 747497774 KUUQPNIGTMMNKS-UHFFFAOYSA-N 424.457 1.922 30 10 HDEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 752151866 ZRWGHJZAPPYKTC-UHFFFAOYSA-N 403.460 1.399 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 752408680 NPFKWCZEQZNCMG-HNNXBMFYSA-N 405.520 1.028 30 10 HDEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2ccccn2)n1 755241307 KCFCARGRNURRBS-INIZCTEOSA-N 421.505 1.702 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(CNC(=O)OC(C)(C)C)CCCC2)CC1 756908062 YHDDEMYHQKGNBX-UHFFFAOYSA-N 408.543 1.518 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)C(C)(C)O1 760550957 KCADXZCDQMXQTB-NRFANRHFSA-N 412.494 1.301 30 10 HDEE N#CCCN(C(=O)CCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1)c1ccccc1 766105827 VTSYTBQUFQKDBI-LJQANCHMSA-N 413.474 1.894 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 776142552 GKAUTVWSENVVCN-QGZVFWFLSA-N 414.487 1.418 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 780980774 BCICLNLRWIMFJW-GOSISDBHSA-N 402.495 1.846 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(Cc3ccncc3)CC2)cc1C#N 787435482 YOZMLOBGZSUJSU-UHFFFAOYSA-N 407.474 1.359 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nc3ccccc3nc2N2CCN(C)CC2)n1 788559420 VDWGBUMFYUMFLU-UHFFFAOYSA-N 419.533 1.864 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 790105648 UFBWBLPFULYZGZ-UHFFFAOYSA-N 409.406 1.294 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](c2ccccc2F)N2CCOCC2)n1 790106209 XFIITWOHGVMCLG-NRFANRHFSA-N 414.481 1.704 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC([C@H]3CCOC3)C2)c1 791766638 BPLNXYMKNOSVSN-DLFJBECYSA-N 406.508 2.000 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 794443544 YWBXHIHROKXRQH-CZUORRHYSA-N 419.551 1.583 30 10 HDEE C#CCCS(=O)(=O)NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 810785008 UTPWBBSVOURZLN-UHFFFAOYSA-N 414.409 1.915 30 10 HDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl 916936853 BCILKFDEOJWOPC-LLVKDONJSA-N 414.809 1.140 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1nn(C)cc1I)C(=O)OCC 1132418272 OEBREMOCENERGR-SECBINFHSA-N 411.627 1.829 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(NC(=O)CC)c1)c1cc[nH]n1 1141758591 SBDADSOEGBEFEA-UHFFFAOYSA-N 401.423 1.358 30 10 HDEE CN(C)S(=O)(=O)NCC(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1141816488 ACUKHZFSAXTAQZ-UHFFFAOYSA-N 402.476 1.666 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCNC(=O)OC(C)(C)C)s1 1144551949 PBGRJLCCSBFKMK-UHFFFAOYSA-N 417.553 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](O)C1 1152295502 KXHZOABQAXBFGW-SJLPKXTDSA-N 411.462 1.844 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)CCCN1C(=O)OC(C)(C)C 1158853227 UAGMZCZNBLBNMA-VFNWGFHPSA-N 415.494 1.990 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc2ccc(Cl)cn12 1167481198 IMXDFVLZFWXBEX-UHFFFAOYSA-N 418.866 1.128 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1171499195 RAWCKTDHZADQIW-LUQKVYGDSA-N 404.511 1.459 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2Cl)C(C)C)CC1 1221951658 UHGWIOLZAFMPHU-KRWDZBQOSA-N 412.943 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@@H](C)C1 1286303369 QOXDWCNBEGKTLE-ROUUACIJSA-N 402.543 1.359 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)OC)c1 1286312666 YAHBFRXKCMWLFC-INIZCTEOSA-N 424.505 1.492 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388983 DJILIHPATDECGJ-MSOLQXFVSA-N 407.584 1.759 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@H]1C 1286461924 ZRNTVHFNBPTBMW-SJORKVTESA-N 412.494 1.684 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286700739 MATLUYHMOSDZSZ-KRWDZBQOSA-N 416.526 1.271 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2C(C)(C)C)C1 1286799431 WAHPDXBJJGIADX-HNNXBMFYSA-N 416.530 1.592 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CCCO 1293004220 NGHXKJNEGOVBTL-QGZVFWFLSA-N 411.510 1.222 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1294721155 DHHZBHHHXOZXOB-UHFFFAOYSA-N 416.279 1.341 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)nc2)C1 1300021468 XSWJBVDVVCJAKP-GOSISDBHSA-N 413.503 1.554 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1300268249 PVRIYKNUMPIXLH-ZWKOTPCHSA-N 402.543 1.209 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@@H]21 1300365542 YQAQNMLWWVCMAU-IKGGRYGDSA-N 407.540 1.403 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCCO)CC1 1300698007 MCHZSHVTAFQEPD-UHFFFAOYSA-N 414.510 1.314 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C3CC3)CC2)CC1 1300711264 VIPSIBMDTPCSHH-UHFFFAOYSA-N 412.538 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)C(C)C)CC1 1300721865 BIFBWJDZKZJGMV-UHFFFAOYSA-N 423.565 1.955 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1301509403 PGDPBBBNDIYCJY-KRWDZBQOSA-N 406.527 1.851 30 10 HDEE COCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1301528275 GISBXRMHAITZTK-HNNXBMFYSA-N 412.560 1.835 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC(C)(C)C1 1301568462 SPIHLBUJOGHKKC-CQSZACIVSA-N 413.544 1.021 30 10 HDEE Cc1cc(O)nc(N2CCC(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1303982905 AUNGFPRJPGSAAQ-MRXNPFEDSA-N 420.473 1.500 30 10 HDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1308041802 YQKQMFOZCSLNBS-SIKLNZKXSA-N 418.513 1.582 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 1309403245 RJWUEHOCNMKZCG-RBUKOAKNSA-N 420.531 1.742 30 10 HDEE C=CC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1309997979 CWCMXNISTDEVGZ-CQSZACIVSA-N 415.537 1.486 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1313378878 CRZWTPBJZCJYAC-CUWPLCDZSA-N 410.499 1.945 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1313718725 CTZRZPBACAFLEL-CPUCHLNUSA-N 415.539 1.061 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1314915816 TUFFYAOBGRWKBV-QZTJIDSGSA-N 413.526 1.249 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1327511958 CVXKLRDXQHJCFO-CABCVRRESA-N 417.539 1.677 30 10 HDEE C[C@@H](C(=O)N(C)Cc1cccc(C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1353372493 VOKMMXDQJSNUAV-HNNXBMFYSA-N 400.479 1.984 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CN3CC(=O)N(C)C3=O)c2)c1 1357335697 FBIJLBFEKOGDBC-UHFFFAOYSA-N 405.410 1.706 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@@H](F)C2)CC1 1359043596 AJAJVKNWZNUDCR-MAUKXSAKSA-N 413.501 1.783 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1359246993 PULQLNRPOFZTDM-BEFAXECRSA-N 410.540 1.520 30 10 HDEE COC(=O)C[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1435996741 CMPMCARWAJJWNH-JLTOFOAXSA-N 419.865 1.793 30 10 HDEE CCCOC(=O)c1ccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)cc1 1440587863 DIHGPDDZVJRCEN-UHFFFAOYSA-N 402.407 1.899 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2(C#N)CCSCC2)CC1 1443020967 HJLSHEVUEYMZBZ-UHFFFAOYSA-N 408.549 1.280 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(C#N)C[C@H]2CC[C@H]1C2 1451637414 CXGWJEPWHPJEIB-DEYYWGMASA-N 406.464 1.661 30 10 HDEE C#CCN1CCC(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1452956295 QOTNWACAWQCCCZ-UHFFFAOYSA-N 402.502 1.942 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)nn1 1456289077 HXAIIQPTEPGGQA-AWEZNQCLSA-N 419.482 1.336 30 10 HDEE N#C[C@]12CN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)C[C@H]1CS(=O)(=O)C2 1458667418 OCEQTOPBENFKFU-BLLLJJGKSA-N 409.393 1.932 30 10 HDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1461764824 DUBUPKQHMACOQJ-NQIIRXRSSA-N 402.454 1.919 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)CC1 1463596383 IJRUCIDGUMNLDC-UHFFFAOYSA-N 412.895 1.585 30 10 HDEE C#CCC1(NC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCOCC1 1468771238 HRQLYJQPZIXBNL-UHFFFAOYSA-N 411.446 1.420 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1469674091 HYSCRFGQKDHQRU-FQEVSTJZSA-N 412.534 1.914 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1 1470281765 PQBGXEODEWJMBA-AEFFLSMTSA-N 423.473 1.234 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1471521274 HCZXCBUKJNSJSC-UHFFFAOYSA-N 412.450 1.880 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1471583343 BNSNLVHPDZBTOJ-CABCVRRESA-N 409.870 1.328 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1472035309 FWBYXMDDUXGDLZ-RXVVDRJESA-N 421.482 1.576 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1478534502 ABLQADLMGPBRIT-QDFMMOOJSA-N 424.320 1.885 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1503669684 DNPKDKFXBQPVMD-HNNXBMFYSA-N 406.512 1.227 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CCCN1CCC(O)CC1 1505324209 BBRLIGKOBHAZGT-UHFFFAOYSA-N 410.526 1.712 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1507590566 CPRUTIYXKORNHD-KRWDZBQOSA-N 415.519 1.683 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1507622821 MFKFEXPKDJBPSE-CVEARBPZSA-N 405.528 1.100 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc2c1OCCCO2 1507639255 WZTCKOMUWYLOFH-UHFFFAOYSA-N 407.474 1.699 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1507655246 CXQQYRRFKGMYSN-UHFFFAOYSA-N 412.910 1.868 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1cnn(CCOC)c1 1507671946 SQTMZVIITQMKLU-UHFFFAOYSA-N 423.546 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1507731849 QRZOMYNCKJMDQI-UZLBHIALSA-N 401.536 1.506 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(COC)CCC2)CC1 1507732658 IXKBBWYLPHJWNP-OALUTQOASA-N 417.554 1.574 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)CC1 1507740975 IHWMZNOIAUPNSL-UHFFFAOYSA-N 420.583 1.039 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507747433 XBMQDDZICHNLOI-JKSUJKDBSA-N 409.556 1.426 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507755941 XGYNZLJCBBXGIY-HOTGVXAUSA-N 419.551 1.370 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507757918 DMUJQBGCOXRMGN-OXQOHEQNSA-N 421.567 1.388 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1507880770 NHZPSCMZBSHXOQ-SIKLNZKXSA-N 419.570 1.933 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507895811 DAKCQQYFKYXNIL-RDJZCZTQSA-N 412.556 1.839 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1508092603 ROVLIJKGIGULPF-IKGGRYGDSA-N 403.527 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508129232 AXLRKBUMEPGDTB-BXWFABGCSA-N 412.556 1.775 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCC(C)(C)O)cn1 1517376824 VTAGMRPKZPRINN-UHFFFAOYSA-N 421.509 1.433 30 10 HDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(F)(F)F)cn1 1517390976 AQQQLVQMBPSZBY-UHFFFAOYSA-N 404.356 1.776 30 10 HDEE CO[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1517934142 VHKMGKLRHKQPCQ-XOBRGWDASA-N 419.432 1.681 30 10 HDEE COc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1518228258 CUZFVJHWWVMLSI-WMZOPIPTSA-N 413.478 1.771 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC(F)F)cc1 1521101552 CLDOJYGWUGIZPO-CQSZACIVSA-N 420.420 1.670 30 10 HDEE C#CCN(c1nnc(C2CCCCC2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1525907080 HGLKFHJVUHQISK-SJLPKXTDSA-N 406.552 1.989 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21)[C@H]1CCS(=O)(=O)C1 1530298260 XRABJIMSTCBQJQ-ASTDHERZSA-N 408.317 1.984 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)OC 1535097377 DCLYDJOZEIKMAT-CQSZACIVSA-N 408.252 1.783 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1535447051 SPXRJSZIXBVLKC-DOMZBBRYSA-N 402.252 1.917 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539045053 PEBVXYBUKDGYPN-INIZCTEOSA-N 422.493 1.285 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)COCCO1 1539299365 IRVFIPPHJIOKSQ-NHCUHLMSSA-N 402.495 1.199 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1539352031 NJZPVSOPQYYPMW-ZDUSSCGKSA-N 401.858 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC)CC1 1539469877 HKOHIUGDVJPGOH-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1539665804 FGHGXHDEDXOALH-LJQANCHMSA-N 405.524 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NC)C1 1540899241 IIFREKOIAZISQX-HNNXBMFYSA-N 421.523 1.410 30 10 HDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1541007123 XAIQQRZRLNWPMX-LJQANCHMSA-N 415.542 1.076 30 10 HDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1542139647 DFASRKPYQNRFOP-CDHQVMDDSA-N 416.457 1.789 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1542505281 SAXNQJNZEJATAT-UHFFFAOYSA-N 416.522 1.820 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cs1 1542913562 CHRLFMARHNUPNJ-MSOLQXFVSA-N 405.503 1.142 30 10 HDEE COc1ccc2[nH]cc(C3=CCN(C(=O)Cn4cc(C#N)c(O)nc4=O)CC3)c2c1 1544005512 FLTGOYVTWUYQLC-UHFFFAOYSA-N 405.414 1.626 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@@H]1C 1547637751 ARFBROMBLQRALC-HOTGVXAUSA-N 405.510 1.912 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)cc1 1555989927 UTKKBBUWJXDFFH-HXUWFJFHSA-N 421.505 1.658 30 10 HDEE C#CCOCCN(C)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1558865532 LFZHRMGEXGDRCF-UHFFFAOYSA-N 406.280 1.628 30 10 HDEE Cc1cc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1C#N 1563136326 HFPWBIRRFFGZSN-UHFFFAOYSA-N 415.475 1.604 30 10 HDEE C#Cc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1564787244 KPPYFAUDOWMYJU-UHFFFAOYSA-N 405.451 1.675 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)cc1 1566487867 YHENTHPHCNKJPY-AWEZNQCLSA-N 422.425 1.512 30 10 HDEE CCN(CC)C(=O)CN1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1568757069 GPACXWSYMYYJJD-UHFFFAOYSA-N 423.521 1.389 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1583772892 SDTLZEICKGPPIR-IBGZPJMESA-N 407.536 1.674 30 10 HDEE COCCN(CC(=O)N(C)C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585128995 MXOAGOJSKKUBBG-UHFFFAOYSA-N 423.311 1.320 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1587592412 BNXJGVGZFKXOLS-AWEZNQCLSA-N 417.897 1.924 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588263610 YFBASAWWWACGMX-QGZVFWFLSA-N 408.506 1.929 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2COCCO2)CC1 1588898842 FBHCDZUWNATDFQ-KRWDZBQOSA-N 413.478 1.228 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cccc(C(=O)NC)c2)CC1 1588946336 BWPSQSNAEDZXPS-UHFFFAOYSA-N 422.533 1.409 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589482180 HBKVOSZRAMQNEB-YLJYHZDGSA-N 416.570 1.783 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1593741584 SLUJKDYKGPTWNU-KRWDZBQOSA-N 418.542 1.759 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1594720396 KZAXYGJJPLSPAG-IKGGRYGDSA-N 418.542 1.563 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595522716 IWFBHYPNSYHGAG-IAGOWNOFSA-N 424.505 1.503 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@H](C)C1 1595821611 BYIPTZTXWVCAJR-HZPDHXFCSA-N 409.556 1.484 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595871177 IVWTWXLYGLFYIC-CHWSQXEVSA-N 401.558 1.018 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)ccc1F 1597353043 GLCYRGMWYQSNBD-INIZCTEOSA-N 423.510 1.907 30 10 HDEE CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1615382649 BZHMZZASFURPHS-VLGSPTGOSA-N 424.465 1.298 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(N(C)C)CCSC2)CCOC1 1616140236 GTNCZQGFZGNMQT-NSISKUIASA-N 422.599 1.963 30 10 HDEE C#CCN(Cc1cc(C(=O)OC)ccc1Br)[C@H]1CCS(=O)(=O)C1 1616160325 YGKHJZZQSZFJGH-AWEZNQCLSA-N 400.294 1.858 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1OC 1616589713 ORPICLMZSZHIIE-VURMDHGXSA-N 409.446 1.374 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1617487320 NIPVMIKCYPQUGZ-BBRMVZONSA-N 402.394 1.915 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)[C@H](C#N)CC 1617776520 QURYWPNFQDVZOU-INIZCTEOSA-N 422.551 1.786 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1623127364 AZLPOGSPPKISSN-GOSISDBHSA-N 401.463 1.608 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NC2(C#N)CCSCC2)C1=O 1623151614 OCSRIDHOCPBMHZ-CQSZACIVSA-N 410.540 1.655 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C(C)C)N1CCC(C)CC1)c1cc[nH]n1 1624494256 IVLQIQBHIXZKNK-KRWDZBQOSA-N 407.515 1.566 30 10 HDEE Cn1ccnc1[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1624587496 DYMVLYSTLWCIJX-RDJZCZTQSA-N 406.446 1.513 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)c1 1625144501 RKNMCVDULZLQIG-GOSISDBHSA-N 401.488 1.238 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ncccc2C#N)CC1 1629069711 XPAWLBQMEPPOOM-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2(C#N)CCC2)cc1 1630198183 IFOKLOQJVRFWPF-AEFFLSMTSA-N 405.520 1.744 30 10 HDEE COC(=O)c1nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)sc1C1CC1 1632854323 CCZWBVOUNDCROC-UHFFFAOYSA-N 420.472 1.596 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1F 1634544972 CDZMXYCEBDIBCK-XZOAIXRZSA-N 403.435 1.813 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1 1635288162 HXFDVBFMCKJSCW-FYCOFBDGSA-N 410.396 1.861 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 1635488543 UCJAKHPDLKXFKO-WZONZLPQSA-N 402.454 1.984 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)N2 1636071603 MNIPUEVSRALJKF-QGZVFWFLSA-N 423.425 1.802 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]12CC[C@H]1CN(C(=O)OC(C)(C)C)C2 1636472195 LROVJDQMALNEHR-RBZFPXEDSA-N 402.499 1.902 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(O)nc1=O 1638330457 QQUIKBZJPGABFT-UHFFFAOYSA-N 411.466 1.002 30 10 HDEE C=CCN(C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)[C@@H](C)COC 1638897085 FKVBEFLQIDSDAK-YOFIQYCBSA-N 402.513 1.118 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(O)C[C@H]2C=C[C@H]1C2 1640062246 LAPIMBBACNDLSS-CKJXQJPGSA-N 417.531 1.729 30 10 HDEE C#CCN(CC(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1)C(=O)OC(C)(C)C 1640215390 UHGSPTBSDAMVRP-UHFFFAOYSA-N 402.451 1.053 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCOC34CCOCC4)ccc2c1=O 1640276297 ANNTWVLIGYLVQA-INIZCTEOSA-N 401.488 1.939 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3OCc3ccncc3)C2)c(=O)nc1O 1640637320 XPQZCIDLALNBAB-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(O)(C1CC1)C1CC1 1641438221 KVURUQPVNWLNFI-KRWDZBQOSA-N 419.547 1.807 30 10 HDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CSC1 1643771099 DZXMBOXRIMOIKS-UHFFFAOYSA-N 406.533 1.146 30 10 HDEE CNC(=O)C1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOCC1 1644838744 DQGYCVFWSOKFTE-UHFFFAOYSA-N 421.295 1.168 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1645085359 OHAMNDSPOWRHLY-SPUZQDLCSA-N 409.490 1.920 30 10 HDEE COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1645299395 SNTGMFKHUONURN-IBGZPJMESA-N 410.430 1.374 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCSC[C@@H]2c2cnn(C)c2)cc1 1645652684 PPOZCQGGYISRED-GOSISDBHSA-N 418.544 1.652 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O 1645693560 YXCDSLRHCUETNW-QIESAVBPSA-N 419.478 1.911 30 10 HDEE CN1CC[C@]2(CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)C1 1645749859 GLKXETLTQKLIJG-GHTZIAJQSA-N 401.580 1.875 30 10 HDEE C[C@@H](SCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1nc2ccccc2[nH]1 1648787522 QYQFVWOIVISKGD-LLVKDONJSA-N 410.459 1.575 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCO1 1654266735 ARLIVBZGOJEKSO-GJZGRUSLSA-N 405.524 1.649 30 10 HDEE CCOC(=O)[C@H](c1nc(Br)sc1C)N1CCN(C(=O)CC#N)CC1 1654491167 KIKQOEGHOVCXRF-ZDUSSCGKSA-N 415.313 1.876 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(CO)C2)CC1 1654495259 DLLIVHDTEXXSFQ-CZTZKLFOSA-N 400.498 1.629 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)cc1 1663445893 CVVHWFBEABHXFN-UHFFFAOYSA-N 412.558 1.690 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1663991046 YHUIATBXMWMZKG-GWCFXTLKSA-N 424.338 1.722 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1665899495 BKHSPALJLGOKLE-OAHLLOKOSA-N 416.544 1.567 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1672547802 HXCVMAHSYIEVBD-HKUYNNGSSA-N 414.506 1.202 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1C#N 1675917899 XXLSVGCUCSNGCP-UHFFFAOYSA-N 403.464 1.212 30 10 HDEE C#CCN(C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 1675987172 JWPOYTCZPFXXSS-UHFFFAOYSA-N 421.586 1.715 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 1681546488 MELXBBMJJDIINF-HKUYNNGSSA-N 404.461 1.853 30 10 HDEE C#CCN(C(=O)NCc1c(I)cnn1C)C1CCN(C)CC1 1684902178 LAOXUODUBZXBFR-UHFFFAOYSA-N 415.279 1.264 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1686634051 IWEFFAXOHFSMGO-ZWKOTPCHSA-N 417.554 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1689835148 GWDLEQOFKWOVCQ-YWZLYKJASA-N 418.519 1.612 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1689930035 JRTIQYWTOXVZFG-BBWFWOEESA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689989978 KHYSLZZKEIRDQI-YLJYHZDGSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nncn1CC 1690011835 GDWBPWNWDHNFGD-UHFFFAOYSA-N 411.473 1.863 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1690072757 RYFACHDWPQIPDH-UHFFFAOYSA-N 404.478 1.475 30 10 HDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1690319170 FJIVXEKMXJHLKS-UHFFFAOYSA-N 403.458 1.915 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)cc2)CC1 1690414526 AAUDZWOXKVNBFQ-UHFFFAOYSA-N 408.506 1.950 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1F 1690722955 CBAMNRVBTHCESR-MRXNPFEDSA-N 421.498 1.606 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1692666112 BBZUARPYDGEMDX-IUODEOHRSA-N 404.421 1.941 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1695442407 BAMPNNMNKDJMNJ-FQEVSTJZSA-N 416.457 1.834 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1=O 1695861201 UKGJDNXIVQMYOP-IBGZPJMESA-N 424.505 1.681 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1696990684 NVQXZOFBCLBDCS-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C2CC2)CCO1 1698492301 AYIKTIWZWJAKDD-CQSZACIVSA-N 400.870 1.853 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1705529144 FNQFJZIUCJHJSM-HNNXBMFYSA-N 410.478 1.590 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705531618 QDWJBWRHGVYFEJ-CYBMUJFWSA-N 407.496 1.289 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1705569369 GBFKWLOTMVULEZ-INIZCTEOSA-N 419.576 1.865 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705717973 WZVCSXZZIQKNCT-FUHIMQAGSA-N 424.567 1.921 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705728934 DIAOREZDRPVCAW-FHWLQOOXSA-N 405.543 1.737 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1705752702 DIHRBNZADBLQQT-UHFFFAOYSA-N 406.874 1.721 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1705823895 ZBAGADRBLKECLO-MRXNPFEDSA-N 411.514 1.934 30 10 HDEE C=CCN(c1nnc(CCOc2ccccc2)n1CC(=O)N1CCOCC1)C1CC1 1705855673 PIVFJOVAEUDOAC-UHFFFAOYSA-N 411.506 1.913 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705889960 NYICKKWCNCKSSB-HZPDHXFCSA-N 409.494 1.974 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1CC 1705900735 NWEJXZZDCHLCCV-HNNXBMFYSA-N 421.505 1.873 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705904729 WRKHXGQEAZFXQN-INIZCTEOSA-N 405.543 1.943 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1706938444 LAKWNYYBACLOOB-IBGZPJMESA-N 404.421 1.800 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCCO2)C1 1712877657 RERVGQCVQFYXFO-OXQOHEQNSA-N 420.489 1.428 30 10 HDEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1ccccc1F 1719151081 LUBMBTDONWTAAN-ZKJSPLOFSA-N 414.477 1.862 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722329828 GDWJFOLEPYBIJV-KRWDZBQOSA-N 404.478 1.890 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)nc(N2CCCC2)c1 1722341926 PLAWGXZNIDLHJN-UHFFFAOYSA-N 407.522 1.935 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1Cl 1722351990 MRNQMTLRBQPSLW-AWEZNQCLSA-N 408.911 1.982 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1722358367 BBCIASDHSFMUJN-CVEARBPZSA-N 406.508 1.898 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722368250 QCGPJXDXUZQFBE-FXAWDEMLSA-N 402.520 1.375 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)CC1 1722506865 DMMFMTYMRXFQLV-CTNGQTDRSA-N 410.522 1.914 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722620554 OXVMVNXGGSOWDS-QGZVFWFLSA-N 404.515 1.670 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722730533 VSBKENGZMBWXNB-MRXNPFEDSA-N 404.540 1.559 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1724057302 PLRVSMAYMKLINA-HOTGVXAUSA-N 414.466 1.232 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1740562942 PINHLWILQZAKJV-YRPNKDGESA-N 419.570 1.961 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(C)=O)CC1 1740701316 BYZNNOPHOUPFLH-UHFFFAOYSA-N 412.494 1.339 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(N3CCOCC3)CC2)CC1 1740701745 CGAKJUVKAAVYAZ-UHFFFAOYSA-N 414.554 1.232 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1740731085 OSVHYSKCTRMXRQ-TVKQPGBESA-N 422.551 1.224 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740795037 MOQFHHBJOWUBPZ-APWZRJJASA-N 410.540 1.390 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740962825 PWFYRABCCUFXCQ-MGPUTAFESA-N 417.535 1.617 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1741130686 ZWCYAGKQSMZQRF-HMWBCQRISA-N 408.466 1.406 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1741733539 WTSBWZLIBAWJFW-RXVVDRJESA-N 418.542 1.533 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCC[C@@H]1CO 1748033577 JUNBSIMUCQWMNZ-DYESRHJHSA-N 415.517 1.962 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748814619 HMVBPCXLGOEBHY-MBOZVWFJSA-N 424.567 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1748892486 PMRIVGBBYAPHGA-CYBMUJFWSA-N 420.482 1.896 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1748977844 KMTXSPXKDMJFOW-UHFFFAOYSA-N 408.550 1.347 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCOC)CC1 1748984323 JOKOOWANYXMLQX-UHFFFAOYSA-N 420.517 1.912 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)C2CC2)CC1 1748993679 HWWVQWJUMUOEMO-FQEVSTJZSA-N 400.552 1.550 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(C(N)=O)CCCC2)CC1 1749003888 AFELFIMZFCJQGR-UHFFFAOYSA-N 400.527 1.413 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1749317270 OXEHJUVXMYUFHR-BZSNNMDCSA-N 424.567 1.983 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1749461705 GURAKCLHGKAHSM-UHFFFAOYSA-N 404.902 1.962 30 10 HDEE C=CCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749499062 OZYFLPHKYZNGRR-UHFFFAOYSA-N 410.522 1.896 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)C1CC1 1749730531 HOSSGVHQHNNDIF-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE COCCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1=O 1749883203 XAEQPGCVMKNWFC-UHFFFAOYSA-N 407.434 1.148 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760185015 NSKCWKLXTNZQPW-QGZVFWFLSA-N 415.519 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CC[C@H](CO)O1 1760196052 NXQXTZYQKIHUEB-LSDHHAIUSA-N 418.295 1.648 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1760232509 AAKGMSGQZIKIMY-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)COCCO1 1760244969 NDUQTMGWVSTVSK-NRFANRHFSA-N 400.479 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1760257321 UCRQMDJXSWTRQT-NHCUHLMSSA-N 405.543 1.092 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](CCC)OC)CC1 1760269765 OIFBRMGGIRBRMO-QZTJIDSGSA-N 403.527 1.563 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1760688307 FQPHJWBGKBEYEC-GHMZBOCLSA-N 412.438 1.411 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1761261443 HAKHHSLPYMHLCB-WMZOPIPTSA-N 410.478 1.621 30 10 HDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1766965934 YZCNCHCEWLNNRX-RMYFCYLKSA-N 411.466 1.035 30 10 HDEE COC[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769470278 PTYGSAZEAHTGOU-RAJOGRCSSA-N 400.483 1.230 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCO[C@H]2CCOC2)c1 1771532406 ZKPHUUWMIVKKRQ-SFHVURJKSA-N 415.519 1.581 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCOCCCO)CCN1C1CC1 1771536923 DWWYPZVFRIOMJR-QGZVFWFLSA-N 414.485 1.660 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCOC1 1772660115 LHSFZBFRPQRKLF-HNNXBMFYSA-N 420.491 1.500 30 10 HDEE CN1C=N[C@@H](C(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)C1 1851273403 GLEKQTVMWCHRBW-GOSISDBHSA-N 400.442 1.792 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)cn2)CC1 1851347844 ACXZZLTXZYPOST-HXUWFJFHSA-N 419.485 1.915 30 10 HDEE CN(C(=O)CN1CCNS1(=O)=O)c1nccc(-c2ccc(Cl)cc2)c1C#N 1851662367 WHWASVKHJYVITO-UHFFFAOYSA-N 405.867 1.386 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC4(CC3)CC4(F)F)CCC2=O)CC1=O 1853710836 WBKZQKJOCUEBBZ-HOTGVXAUSA-N 409.477 1.907 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccc(Cl)n2)C1=O 1854099508 LVOIMVYGKARCDB-CVEARBPZSA-N 404.898 1.975 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)cc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636569 GMVHTAJZQKZIMY-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C1 1855235586 ANZOLTPWKZLYAY-QZTJIDSGSA-N 403.523 1.453 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3ccncc23)CCN1CCOc1ccc(C#N)cc1 1855944725 UIIZDPOAHBJUTB-HNNXBMFYSA-N 404.430 1.353 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)ccn1 1856102339 IJDZKDBNJNTZTE-VQTJNVASSA-N 411.506 1.271 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3cccnc3Cl)CO2)cc1 1856459648 VKMVIXLSYWAMCB-AWEZNQCLSA-N 407.835 1.697 30 10 HDEE N#CCCN1CCN(C(=O)c2nccnc2N2CCOCC2)C(=O)C12CCCCC2 1856637351 JVRKUQZINQVBLP-UHFFFAOYSA-N 412.494 1.214 30 10 HDEE Cc1cccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857042099 RVIGTSFGGXGZOQ-SFHVURJKSA-N 403.504 1.478 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2cccc(C)c2)C1)[C@@H]1CCN(C)C1=O 1857044857 AWIFXZVBDXSFTL-AZUAARDMSA-N 413.518 1.858 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(OC)nc2)C1)[C@@H]1CCN(C)C1=O 1857055557 GBZOYOXQAQKICQ-DOTOQJQBSA-N 400.479 1.188 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)C3CC4(CCOCC4)C3)C2=O)C1 1857107220 PXCZIPDEHGVEJI-GOSISDBHSA-N 410.474 1.351 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccccc2Cl)C1=O 1857147325 XQIJIBOWYZIOMF-QGZVFWFLSA-N 410.865 1.563 30 10 HDEE CN(Cc1cnn(C)c1)[C@@H]1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1857220919 ANQYMTQREGGLHX-WOJBJXKFSA-N 406.490 1.239 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3cnccc3c2)C1)[C@@H]1CCN(C)C1=O 1857263419 GKBHFEBMZZBCGC-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cc(O)nc(O)n3)sc2c1 1865981657 JGIXXLDFBQABHM-UHFFFAOYSA-N 407.433 1.214 30 10 HDEE CSCC[C@@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866928209 AMRIQEFONXVHQP-RHSMWYFYSA-N 423.560 1.950 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868736379 OCQOPEZCRONEOW-UHFFFAOYSA-N 410.492 1.184 30 10 HDEE C=CCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575431 BHPFERLYWDVUKG-UHFFFAOYSA-N 405.846 1.580 30 10 HDEE C=CCn1c(C(=O)NCc2ccccc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873594701 YTUBJSJXCYUESJ-UHFFFAOYSA-N 420.517 1.662 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 1891369457 LDUIXHZRIWFIBQ-QGZVFWFLSA-N 409.446 1.842 30 10 HDEE C#CCOC1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCCOC)CC1 1891790148 PNAXWNOJWNQDAH-UHFFFAOYSA-N 422.485 1.940 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1925839960 OQPWHXSWLBZCBB-SUMWQHHRSA-N 403.501 1.556 30 10 HDEE CON(CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2010395287 HZRJGWMJROKKBW-UHFFFAOYSA-N 422.291 1.903 30 10 HDEE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=NO 2029311328 KBCUOUWDKHZRQC-OKILXGFUSA-N 407.492 1.811 30 10 HDEE C#CCCN1CCC(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2139207283 IESOEUZDSXBGBM-UHFFFAOYSA-N 417.531 1.470 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)Nc2nc(Cl)ccc2C#N)CCS(=O)(=O)C1 2192698356 RVDVRGZYZUPKSW-MRXNPFEDSA-N 414.871 1.627 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2235430281 VARQNJWHRXATMS-CABCVRRESA-N 401.359 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(F)ccc(N)c2F)[C@H](C#N)C1 2235858075 BJRYQVZJBGJVJN-SNVBAGLBSA-N 402.423 1.681 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819813 KBRMJTMXPMLZPD-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247823434 OUOOGJGWKWVWMX-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CSC1CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267471025 DACTYQQHZSXHDZ-UHFFFAOYSA-N 404.388 1.756 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CCCN3)cc2Cl)OC1(C)C 2267703174 RVYMJYINTDYENM-SNVBAGLBSA-N 406.766 1.731 30 10 HDEE C#CCN(CC#N)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709695 GLIQLTJWIAWPLY-UHFFFAOYSA-N 400.718 1.848 30 10 HDEE Cc1nc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018872 DBQFBIQKYUTEFH-LLVKDONJSA-N 400.331 1.010 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NCC[C@@H]2CCCS2(=O)=O)OC1(C)C 2282032772 KFIWFAVKQASDLE-NSHDSACASA-N 400.331 1.139 30 10 HDEE C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340326 DQZRPOKZMJFXBU-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CCN(CCC(=O)OC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282341987 AQJDIUVZALYUHS-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282349197 VSGIVWAWCUMVFQ-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C 2282352532 PJJIGEAPMZCHTN-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE CC1(C)[C@@H](N)C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493551 UWFODJBKXNUXIG-RISCZKNCSA-N 400.375 1.699 30 10 HDEE C[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H](CO)O1 2282639927 GVUUQISWNCNLRY-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCC[C@H](O)[C@@H]3O)c2Cl)OC1(C)C 2282664029 XXXDFUPJHRMIBO-NTZNESFSSA-N 401.721 1.705 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C3CC3)c(Cl)c2)OC1(C)C 2282833097 VAYMEWPBLIYEGQ-AWEZNQCLSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@@H]4CCCN[C@H]43)cc2Cl)OC1(C)C 2282840379 MXLSSEWBKPWBGJ-OASPWFOLSA-N 418.777 1.729 30 10 HDEE C[C@@H](O)C[C@@H](C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843876 UGLVYFRGXXUFRF-CHWSQXEVSA-N 403.375 1.874 30 10 HDEE CC1(C)C[C@@H](N)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870356 QNZOERNUYGBBAQ-LBPRGKRZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC[C@H]2CN)OC1(C)C 2282884269 MDBLQDFMTROUIG-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC/C=C\C(=O)O)ccc2Cl)OC1(C)C 2284396969 HAVJKNCKOCFJGG-WAYWQWQTSA-N 401.677 1.558 30 10 HDEE Cn1nc(Br)c(=NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[nH]1 2303356657 LDEFAIHYZUCDOT-VIFPVBQESA-N 401.265 1.525 30 10 HDEE Cc1c(C=C2SC(=S)N(CC(=O)O)C2=O)c(N2CCCC2)n(C)c(=O)c1C#N 2314457353 GHPZBLBLNGWHDZ-UHFFFAOYSA-N 418.500 1.451 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N[C@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360572915 YSEYWERNOHFLLV-LLVKDONJSA-N 401.230 1.853 30 10 HDEE CC[C@]1(C)[C@@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2361993184 WELFCUXREUVNEX-WMLDXEAASA-N 401.359 1.971 30 10 HDEE COC[C@@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365189738 YAGAVDCDVCAGJP-DNVCBOLYSA-N 403.541 1.980 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2365199366 NLFXYNBHTCKNJN-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE COCC[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367786105 GRRBETRWKHUGLN-DNVCBOLYSA-N 400.541 1.701 30 10 HDEE COC[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367791146 XVAKRHIWVMTICQ-DNVCBOLYSA-N 400.541 1.701 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367794945 KBKKMDJLCIJURO-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@H]([C@@H](O)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367801630 UWVHFFXTNHZVMZ-UDRCLVEDSA-N 405.463 1.867 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2367811309 HBOZPXOYTSQVEC-CABCVRRESA-N 400.541 1.306 30 10 HDEE CC(C)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2370841756 GEJUDOQCBZTCQK-JSGCOSHPSA-N 401.359 1.827 30 10 HDEE COCCn1c(=O)/c(=C\c2ccc(OC)cc2)s/c1=C(\C#N)C(=O)C(C)(C)C 5855128 DQUQDOHODSVTCJ-LNWFBJFBSA-N 400.500 1.683 30 10 HDEE N#C/C(C(=O)N1CCCC1)=c1/s/c(=C\c2ccccn2)c(=O)n1-c1ccccc1 5859292 XWZDKEWFZIYTCD-ZLHHJAJDSA-N 402.479 1.419 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccn2)[C@@H](C#N)C(=O)N3)CC1 72444660 UPBGAISAVHWDNE-HIFRSBDPSA-N 422.445 1.168 30 10 HDEE Cc1ccc(OCC#CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)cn1 90742434 XXJINKLJVVJIFB-OAHLLOKOSA-N 410.499 1.671 30 10 HDEE C=CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCn2ccnc2)c1=N 100848213 MDWWQWWDACMCGS-UHFFFAOYSA-N 403.446 1.331 30 10 HDEE COc1ccc(OC)c([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)c1 102548944 RXFBEAVFCIRKOP-VZCCSQPZSA-N 417.414 1.727 30 10 HDEE CCOc1c(OC)cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1OC 169907661 MZRVDVBILHCZGH-VXLYETTFSA-N 421.431 1.849 30 10 HDEE N#Cc1cnn(-c2ccc3ccccc3n2)c1NC(=O)CCn1ccc(=O)[nH]c1=O 170576338 AATHXHLRHSRSQG-UHFFFAOYSA-N 401.386 1.171 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254697052 JSHANEVQVKNTMY-UONOGXRCSA-N 410.473 1.355 30 10 HDEE CC(C)OC(=O)NS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404927747 KZQDEYCQLDKRJL-UHFFFAOYSA-N 404.319 1.516 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN(C3CC3)C(=O)C2)CC1 409965469 XHSCEEKDKCPXCZ-UHFFFAOYSA-N 409.446 1.856 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 410217275 GUWYRDGMSHUXNX-WBVHZDCISA-N 423.514 1.247 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C(=O)Nc2ccccc2)CC1 428763734 WNNNVCBOGGHXDO-AWEZNQCLSA-N 412.471 1.513 30 10 HDEE N#C[C@@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 463308827 NOCSVMSCAVPCIA-DFMBRWPFSA-N 418.247 1.292 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOc1ccc(F)cc1F 464904881 AWFWGSNLLRWJAC-CYBMUJFWSA-N 402.405 1.926 30 10 HDEE CCOC(=O)C1(O)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 471174798 CUYYLDSOPSUAFA-INIZCTEOSA-N 403.479 1.720 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473451200 BXCWTOGCNUYLLO-FUHWJXTLSA-N 413.455 1.572 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487174345 QDNFTUUNMYBXHS-GOSISDBHSA-N 407.478 1.357 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C#N 489703457 RFSYOVCBEZOSDW-UHFFFAOYSA-N 406.489 1.232 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2SCc2cc(C)on2)CC1 492337026 URRJTVCYOOYQBK-UHFFFAOYSA-N 415.519 1.730 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 493506199 FEZGZKRDMCKMHR-INIZCTEOSA-N 424.423 1.257 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cc(C#N)c(Br)cn1 494384673 KSZCWLIGHPUWGH-UHFFFAOYSA-N 416.278 1.920 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OC)c2cccc(O)c2)c1 497788386 QLEKLNVUFKZHTL-QGZVFWFLSA-N 404.444 1.501 30 10 HDEE CC(C)C[C@@H](CN(C)C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 504844454 ZIDHTCSDFXKFMR-SFHVURJKSA-N 421.567 1.550 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505153835 ZQGZKMUONCZUGD-UHFFFAOYSA-N 422.507 1.426 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCN1CCN(c2ccncc2)CC1 506198337 HDLIXBFZNGGFLE-JOCHJYFZSA-N 415.538 1.972 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2c[nH]nc2-c2cccnc2)CC1 506807455 VBWLDMNCTZYLIE-UHFFFAOYSA-N 408.487 1.850 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc(CC)cc2C(=O)OCC)CC1 506965745 JMTNSIVHWGNGTD-UHFFFAOYSA-N 408.524 1.939 30 10 HDEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 507530987 LQUVNBXLFMMUSL-UHFFFAOYSA-N 417.495 1.759 30 10 HDEE C=C(C)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 514407565 VPMTUWOAVUWXNI-UHFFFAOYSA-N 424.549 1.810 30 10 HDEE CC(C)n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 527030363 NOCADYWWAJFCII-UHFFFAOYSA-N 423.498 1.596 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)cc2C1=O 542281781 JMBHJWYHSQICLM-IBGZPJMESA-N 418.453 1.785 30 10 HDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)c(OC)c1 546207856 GVCCWCSDGOLNKN-GOSISDBHSA-N 421.457 1.425 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc(-c4cccnc4)n3C[C@H]3CCOC3)CC2)n1 549686411 AQLXIUMIYMCLLL-QGZVFWFLSA-N 416.489 1.970 30 10 HDEE Cc1nc(SCC(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)c(C#N)c(C)c1C 552792919 ZGNYHXSWOXTHFY-HNNXBMFYSA-N 410.565 1.853 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC2 559474769 CUNBTIQCAYCPEU-FGTMMUONSA-N 415.515 1.557 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(F)c1 561547345 PTCYUXWKATWWCX-HUUCEWRRSA-N 415.446 1.895 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 582195366 AJSOBWBJISHGQO-AWEZNQCLSA-N 417.556 1.486 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCCOCC)nc1C 586305619 YAPBBWOAXHKFNR-MHZLTWQESA-N 418.493 1.061 30 10 HDEE C=CCCCN(C)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 605645312 WIFXBBIBCXNXNN-UHFFFAOYSA-N 407.536 1.724 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)CC1 607621892 ZRMDOPQSXVYCSG-UHFFFAOYSA-N 400.523 1.409 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CC3(C2)CC(F)(F)C3)CC1 611180353 FIVCQFJJRJMLBO-UHFFFAOYSA-N 424.473 1.122 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)NCCCN3CCCS3(=O)=O)n2)c(Cl)c1 611837580 RWVWSZSNKVZDFS-UHFFFAOYSA-N 422.898 1.944 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(OC)c2)c(=O)n1-c1ccccc1C 618460248 TUUFHTDIEBJRQX-UHFFFAOYSA-N 419.506 1.774 30 10 HDEE CCOc1cc2c(cc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@@H](C)C2 732442968 CPCIDTVAFMHIMZ-XEXOPBTESA-N 414.462 1.734 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCN1C1CC1 732707263 YNQUXWQNGUIBKO-GOSISDBHSA-N 413.547 1.373 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 741341045 HKALKIOZCOHBGC-JEEPBSABSA-N 416.478 1.765 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(OC)c(C#N)c3)C2=O)cc1 746876145 BBLLGRVVSDFKBY-QFIPXVFZSA-N 422.441 1.659 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccnc(C#N)c2)[C@@H](C)O)cc1C 746954817 RSGWCWKFZDWTAO-RDTXWAMCSA-N 403.460 1.341 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 749518559 DQZCSHCEXAMINA-ZDUSSCGKSA-N 407.492 1.305 30 10 HDEE CCn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(=O)c2ccccc21 757579135 QIKYNPZLNNCCFI-ZFWWWQNUSA-N 411.462 1.905 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(N4CCCC4=O)cc3)CC2)n1 760913773 UDLWVYCOOPNHPC-UHFFFAOYSA-N 418.501 1.518 30 10 HDEE CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 763634053 DVJLMOSGHDPOOJ-ZBBYCGENSA-N 413.474 1.972 30 10 HDEE CN(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C1=NS(=O)(=O)c2ccccc21 763717870 BLJIMYLQQLTHLD-UHFFFAOYSA-N 421.442 1.158 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767625714 DOWMMBXUBIIPPJ-LBPRGKRZSA-N 420.418 1.894 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(CO)n1 773598585 GOHPAPZQJVRJGH-UHFFFAOYSA-N 416.503 1.489 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@@H]1CCS(=O)(=O)C1 774027684 HNIRORFGPMPAKE-GOSISDBHSA-N 403.504 1.967 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 779753059 UOGKHTNPJBEACC-STQMWFEESA-N 413.478 1.102 30 10 HDEE COC(=O)c1sc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1Cl 788628193 RPKWZBPJRBJUIV-LLVKDONJSA-N 403.913 1.857 30 10 HDEE COC(=O)c1ccc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 793398674 GPFALLKNVDVLKX-LBPRGKRZSA-N 403.416 1.150 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CCN1C1CC1 793488319 MKGPFRDWOKGWMS-AABGKKOBSA-N 419.485 1.777 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C2CC(N3CCCCC3)C2)cn1 794441073 LWEGVSLPWMBWAO-OFLPRAFFSA-N 418.567 1.988 30 10 HDEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 804674574 UCLGEPHNVWHYJX-IJYGLTAASA-N 406.483 1.762 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812753950 HOFZQPKPWGLVKL-LJQANCHMSA-N 402.447 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(CCS(=O)(=O)c3cccc(C#N)c3)CCO2)C1 814662542 JQSUVUOQLQSWPE-UHFFFAOYSA-N 421.519 1.654 30 10 HDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccc(F)cc1F 1084299652 AROHBSBCJVFWDL-UHFFFAOYSA-N 404.406 1.842 30 10 HDEE C[C@]1(C#N)CN(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CCO1 1134271155 RUFWBNKLGKXMTF-SFHVURJKSA-N 405.501 1.897 30 10 HDEE COC(=O)c1ccccc1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1138727492 GCLNEQXWNGOSFM-ZDUSSCGKSA-N 401.444 1.328 30 10 HDEE CN1CCCC[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 1141569965 WJOZOGMBJWNQLX-MRXNPFEDSA-N 412.469 1.773 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)c1 1141818028 OISNYWNQPBTCRQ-HXUWFJFHSA-N 406.504 1.792 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)C(=O)OC 1141998005 FKXNASBTUGWWPK-DLBZAZTESA-N 404.463 1.812 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1142418234 BTIPMLJHGSQJLP-OAHLLOKOSA-N 414.531 1.847 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 1153263034 XDKPNOYOBFLBBU-UHFFFAOYSA-N 420.531 1.907 30 10 HDEE CN(C)C(=O)c1c[nH]nc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1154576446 JRWOJLFEGQPSMI-BTTAGBNVSA-N 416.482 1.837 30 10 HDEE C#CCN(C(=O)Cn1nc(Br)c(Br)n1)C1CCN(C)CC1 1156647058 OTCDDCDZEOGFGE-UHFFFAOYSA-N 419.121 1.359 30 10 HDEE C#C[C@](C)(CC)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1158491626 FXWNKEGLATYWLB-JOCHJYFZSA-N 420.425 1.962 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)s1 1161536960 ZUEYZXQSHKXBGJ-HIFRSBDPSA-N 424.548 1.525 30 10 HDEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC1CCC(C#N)CC1 1165649894 QBFCUJROCYGTRJ-UHFFFAOYSA-N 401.448 1.683 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2NC(=O)C[C@@]23CCCC[C@@H]3C)s1 1166643813 LOBUBCYKNLLEOK-SCLBCKFNSA-N 411.549 1.967 30 10 HDEE COC[C@]1(C(=O)Nc2cnc(OC)c(C#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1177480971 ZOGBJXGTZFVFMO-IBGZPJMESA-N 406.439 1.553 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(OC(C)C)CCOC2)ccc1F 1178523126 MJACGYBNMMRATH-GOSISDBHSA-N 400.472 1.604 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C(=O)OC)CC[C@@H]3C(=O)OC)cc2C1=O 1279587495 HKVYEWNCMXNULD-CZUORRHYSA-N 414.414 1.035 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)CC)CC1 1286663139 GZHONCKTBXXMGW-BZQUYTCOSA-N 400.570 1.351 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CCOC)C1CC1 1286736257 BHRPYFLJJHSWAE-FQEVSTJZSA-N 403.483 1.948 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1286778732 DZHFIOOIBRRZFT-PBHICJAKSA-N 414.441 1.588 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C2CC2)CCC1 1288825503 GTYIHLDTHGHJKI-FZKQIMNGSA-N 410.519 1.911 30 10 HDEE CC[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1291428627 AIHVPZLRGZJUDH-CABCVRRESA-N 411.510 1.793 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1291795405 GAMFAFLEHXCWSL-QAPCUYQASA-N 423.521 1.823 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1293719654 HNDXVNBYUPJCGA-ARJAWSKDSA-N 401.492 1.930 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCC(F)F)C2)C1 1297196856 ISBOSKCUPRCVBW-BJCXPLBRSA-N 400.426 1.271 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3nccn3C)CC2)s1 1297416159 SDYMXOBSHAJJPC-UHFFFAOYSA-N 423.564 1.274 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1298781453 GBRKUGIKFIUTMO-UHFFFAOYSA-N 400.464 1.258 30 10 HDEE C#Cc1cccc(CNC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1299356448 PILSJTZMAUXMLA-KRWDZBQOSA-N 406.504 1.708 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1300270419 BWNDRHXQEXVCKL-CZUORRHYSA-N 414.897 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CS(C)(=O)=O)CC1 1300330144 VVCFBSHXQSCSDA-JYJNAYRXSA-N 410.540 1.285 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1300458062 LKUXDYCUYDGCDW-GOSISDBHSA-N 414.554 1.581 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300482700 GZKRGRURRVDTBZ-YLJYHZDGSA-N 424.567 1.603 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1300506566 VAUOFJZEYXNIKT-PMACEKPBSA-N 410.566 1.955 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[C@H](O)C2)CC1 1300704016 YWJYAUVMPRFQDR-HKUYNNGSSA-N 414.579 1.940 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300760444 BLVWROZRYQZVHA-CABCVRRESA-N 400.570 1.408 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1300763446 PQMRNNMXSBOPSA-CVEARBPZSA-N 412.581 1.408 30 10 HDEE C#CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300776220 GRVUCXKYGGDNIB-OXJNMPFZSA-N 422.551 1.684 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@@H]1C 1300899621 HMBDJWKPIRSQNT-JKSUJKDBSA-N 414.576 1.011 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301245502 JDBGICUKHHINSJ-UHFFFAOYSA-N 416.526 1.649 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1301312651 JCYJAROVCCZRNH-OTWHNJEPSA-N 407.559 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301578563 DMAMUJKAKXYSBJ-QGZVFWFLSA-N 418.567 1.939 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1C(C)(C)C 1301596500 QJJKWTNEHWPYDW-OAHLLOKOSA-N 411.572 1.671 30 10 HDEE COc1ncc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1C#N 1303460045 HODVEBXRECODKD-UHFFFAOYSA-N 402.432 1.704 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3C[C@H]4C(=O)N(C)C(=O)[C@H]4C3)c2C#N)C1 1308006691 UHBRNVZLVNLMBE-DFBGVHRSSA-N 400.504 1.620 30 10 HDEE Cc1cc(O)nc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)n1 1308082315 BLGRXYCWXCRTHS-UHFFFAOYSA-N 418.461 1.309 30 10 HDEE C[C@@H](Cc1ccccc1C(F)(F)F)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1312362986 BEPXKXCELVBLAQ-NSHDSACASA-N 409.368 1.770 30 10 HDEE C#CCN(C(=O)NC[C@](C)(COCc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1312990904 NSSGYBIBAFMZQA-UYAOXDASSA-N 408.520 1.440 30 10 HDEE CN(C)c1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1314661252 PJLAWNZFHWRISW-LJQANCHMSA-N 423.521 1.438 30 10 HDEE Cc1noc(CSc2ccccc2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1318695796 ZJZOLCSGZZGXJI-ZPHPHTNESA-N 413.459 1.927 30 10 HDEE CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1352019157 MRYVICCBUXJZMQ-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1coc(C#N)c1 1352399355 UUBGADOASPZOIB-UHFFFAOYSA-N 404.448 1.348 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1358870051 DPMVSUAQMWLFRW-CQSZACIVSA-N 409.556 1.479 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)CC)CC1 1359031462 CLKYRCYBTFVGDA-UHFFFAOYSA-N 411.466 1.087 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1359034945 HIKIVFHIKJLGIM-VAMGGRTRSA-N 401.555 1.988 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359096017 VSSKJBNXWWXSGR-NUJGCVRESA-N 417.535 1.945 30 10 HDEE C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N)N1CCOCC1 1360552986 GEWZZFDFHSWDNB-CABCVRRESA-N 415.498 1.465 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1436173001 YDCTXWXAKBEAPU-UZLBHIALSA-N 403.552 1.898 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(C#N)cc3)C2=O)cc1 1437614615 DSQYMDZWGGPLHZ-QFIPXVFZSA-N 406.442 1.693 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cnn(C(C)(C)C)c1I 1438601092 IZYBPEYBSCUDDC-UHFFFAOYSA-N 418.235 1.772 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(CCc2ccccc2)[nH]n1)c1cc[nH]n1 1444618586 PQEWACABBUGDCX-UHFFFAOYSA-N 410.434 1.841 30 10 HDEE Cc1ccc(CNC(=O)N[C@H](CC(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1445694384 UIIDRFASYODUNC-LJQANCHMSA-N 413.522 1.793 30 10 HDEE N#Cc1cn(CCC(=O)NC2(c3ccc(F)cc3F)CCOCC2)c(=O)nc1O 1447054373 RHESDAZPWCASSO-UHFFFAOYSA-N 404.373 1.311 30 10 HDEE CN(CCN(C)C(=O)c1cc(C#N)ccc1F)CCN1C(=O)c2ccccc2C1=O 1450602066 KUEXUTAKNUPZGZ-UHFFFAOYSA-N 408.433 1.997 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)cc2)CC1 1454650058 FPSUYFMMCLNWFV-HKUYNNGSSA-N 418.519 1.304 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456875525 BVHJXFMECYPAIY-HNNXBMFYSA-N 416.459 1.107 30 10 HDEE Cn1c(=O)c2ccc(C(=O)Nc3cccc(OC(F)(F)F)c3C#N)nc2n(C)c1=O 1460817951 HNGBWSBQTBFZAH-UHFFFAOYSA-N 419.319 1.655 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(C(=O)OC(C)(C)C)CCOCC2)n1 1467715202 HGCNYAMBEYOGRI-UHFFFAOYSA-N 405.495 1.630 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1470863580 MKNWOKQIQRHXLU-CQSZACIVSA-N 400.357 1.593 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc(O)c(CO)c1 1471642082 JHYUOMTZFXZBDC-UHFFFAOYSA-N 417.487 1.062 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)O2)[C@H]1C 1471930083 YQZDPAWKECNFRB-BPQOCRPUSA-N 406.504 1.562 30 10 HDEE C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1cccc(C#N)c1 1472616826 FHVGSTSUZNOPJF-CYBMUJFWSA-N 406.446 1.740 30 10 HDEE C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1473479582 OOXASAKBBHAGDX-UHOSZYNNSA-N 407.536 1.150 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CC(=O)NCc2cccc(C#N)c2)C1 1473846995 CIOLZTOKPPOIBM-OAQYLSRUSA-N 402.495 1.526 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1478854333 KPORZFDPRZZHBP-WMZOPIPTSA-N 421.519 1.149 30 10 HDEE CCO[C@@H]1CN(C(=O)CC#Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1489930573 MKBRHWLLCOUYPP-KWTHKWNPSA-N 422.525 1.831 30 10 HDEE CN(CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1503594171 BWPGMNNIHGJQCK-MSOLQXFVSA-N 415.542 1.613 30 10 HDEE COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1504574072 XEHKSABOTBDGPI-MRXNPFEDSA-N 421.509 1.554 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)cc1 1505000211 PSRRQKUFBWRFHU-QFBILLFUSA-N 415.494 1.982 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1507631873 URFMCPMJSUPQFE-FUHWJXTLSA-N 419.551 1.041 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1507692253 QFVDAAIKFZEPMR-UHFFFAOYSA-N 424.530 1.702 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1507755859 WOSDKFBMVDOWFL-INIZCTEOSA-N 406.556 1.738 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCOC)CC1 1507793870 CDRVENFHEFBEKA-OALUTQOASA-N 405.543 1.937 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1508039817 QYSABIZZPPIVCT-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCS(=O)CC1 1508091481 LVGYPQNJJGFGJM-UHFFFAOYSA-N 417.535 1.345 30 10 HDEE CCN(CC)C1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1515549315 IIDPHWALOWOLEQ-VHEBQXMUSA-N 401.515 1.424 30 10 HDEE CCS(=O)(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1516803330 OORVPAVYZGSTCJ-HNNXBMFYSA-N 413.544 1.567 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1517450110 CGXALJHSUDVBDI-XOBRGWDASA-N 414.535 1.503 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1519094020 FZNZPYRGAJYJAR-MRXNPFEDSA-N 418.523 1.181 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)CC1 1521149065 OLUNATILXUFQHM-SFHVURJKSA-N 416.526 1.726 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1532777615 XNBBHZHJZSBZHW-CABCVRRESA-N 400.884 1.434 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1539179848 SJIYXEHJQCDAOD-KRWDZBQOSA-N 400.504 1.371 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cccc(C)n2)CC1 1539445897 JVDAWFAEAVLOAQ-LJQANCHMSA-N 407.522 1.321 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC[S@](=O)CC)CC1 1539451909 FAVHPCHQSAZRND-GDLZYMKVSA-N 421.517 1.671 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539919145 WGXANYLMKGJKLW-JLTOFOAXSA-N 402.499 1.862 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540019436 IOOKBJBSBJAKNT-UHFFFAOYSA-N 413.526 1.815 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1540026714 INSLIQMWFVHCRO-UHFFFAOYSA-N 401.515 1.728 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C(F)(F)c2ccccc2OCC(=O)N(C)C)CC1 1540076977 HDWLJEUTRXVXLE-UHFFFAOYSA-N 423.416 1.551 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@H](C)C(=O)NC 1540868156 UJNISPYJAYVFNL-ZDUSSCGKSA-N 404.902 1.719 30 10 HDEE COC[C@@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1544646220 YYBAYBNBLMPKJX-UTKZUKDTSA-N 403.479 1.906 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)[C@@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1546110232 UHDYIKKEVOJYEK-MAUKXSAKSA-N 401.488 1.691 30 10 HDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1547733481 CCXKHLWSFDWSNR-KRWDZBQOSA-N 404.563 1.182 30 10 HDEE COc1cccc(Cl)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1555028183 AXTAQTPIPIBNDQ-DOMZBBRYSA-N 416.869 1.668 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C[C@@H](O)c2cccc(C#N)c2)C1 1559509246 XZJJHHWHDNTTHQ-RBUKOAKNSA-N 416.522 1.945 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OC 1561929308 OOSQIVYEBCHWHR-QGZVFWFLSA-N 410.492 1.825 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 1562933260 MQNDITZTFCYHQV-UHFFFAOYSA-N 403.526 1.486 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)CC1 1564258071 GMBBVYMNJOBWTD-SFHVURJKSA-N 422.551 1.057 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCN(CC2CC2)C(=O)OC(C)(C)C)CC1 1565589940 GASUHXITQRXVFQ-UHFFFAOYSA-N 420.554 1.307 30 10 HDEE CN(CC(=O)N1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1584865462 PBSAMGIHQVHDOC-UHFFFAOYSA-N 400.416 1.629 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1587656888 MVOWTBZKWQKEPL-NVXWUHKLSA-N 401.536 1.883 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCOCC1 1587904582 KJQOAHANJAMGPX-UHFFFAOYSA-N 400.508 1.907 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1587909364 JODVXPZOVQMQNV-PBHICJAKSA-N 422.530 1.400 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1587921883 LOSBTCKOAWSYRG-FQEVSTJZSA-N 401.515 1.783 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1588237416 AKMLIJMIPYCJEW-UHFFFAOYSA-N 411.531 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cnn(CCOC)c1 1588238019 JAWSOCOLIGNLJG-UHFFFAOYSA-N 403.490 1.618 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1588266807 WEGONBJUZQMMKE-HNNXBMFYSA-N 405.524 1.543 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN(C)CCOC)CC1 1588811235 DBVYZUQZILEONM-LJQANCHMSA-N 404.559 1.243 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(C)CC(F)(F)F)CC1 1588848325 CSRZOIPPSJWXEW-UHFFFAOYSA-N 421.471 1.513 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1594829397 JFIZPLXALOYXFW-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCCC2)CC1 1595530023 PZLJRNBWMCDVDJ-UHFFFAOYSA-N 412.542 1.436 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](OC)C1 1595822081 GJTCMQLQLZKUJG-SFHVURJKSA-N 420.535 1.991 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2cncc(C#N)c2)C1=O 1596862757 XHQNRXTYMSMHMI-IBGZPJMESA-N 415.812 1.829 30 10 HDEE CSc1nc(O)c(C(=O)NCCOCCOCC(=O)OC(C)(C)C)cc1C#N 1606622084 UNVFCCWSSILOQG-UHFFFAOYSA-N 411.480 1.485 30 10 HDEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489666 RPKCQQIPMLRGEQ-UHFFFAOYSA-N 421.461 1.044 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nncn1C 1613319360 CCFCBCSUSUFHEL-OAHLLOKOSA-N 406.498 1.562 30 10 HDEE CCS(=O)(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1618537687 KBKXLFSODXRJLH-UHFFFAOYSA-N 402.469 1.162 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@](C)(Cn1cccn1)C(N)=O 1620657387 QBVKVTZCOWCDRA-KUHUBIRLSA-N 400.508 1.750 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1OCCOCC 1622317859 ALCSLKZHBUSNMC-CQSZACIVSA-N 420.325 1.917 30 10 HDEE CN1CC[C@@H](N2CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1623638688 LPTQPYFKMMOYOL-DLBZAZTESA-N 421.542 1.385 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCC#Cc1ccccc1 1623751113 XAXKFERNNSNIOB-UHFFFAOYSA-N 405.497 1.286 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)CNc1ccc(S(N)(=O)=O)cc1F 1623826659 XAZLXCJZZDDKKN-UHFFFAOYSA-N 406.439 1.440 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1625387360 LLAYPEWTKORHHU-RHSMWYFYSA-N 406.280 1.478 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(N)(=O)=O)oc1Cl 1625996939 PWTPSDZVSSUUIZ-UHFFFAOYSA-N 410.883 1.656 30 10 HDEE C#CCN(CC(=O)N1CSC[C@@H]1C(=O)N1CCSCC1)C(=O)OC(C)(C)C 1627049868 CTOJHGLKVZIJDF-CQSZACIVSA-N 413.565 1.334 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCCN(O)C1=O 1628547482 FCRSYOZAKCFSQB-LBPRGKRZSA-N 405.270 1.271 30 10 HDEE N#Cc1ccc(C2(C(=O)N[C@H]3CC(=O)N(CCN4CCOCC4)C3)CCCC2)cc1 1628646583 HUVLNEPKAJEOIX-FQEVSTJZSA-N 410.518 1.419 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1630737672 WBFOMYSBEVCDFU-AWEZNQCLSA-N 416.507 1.062 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN([C@H]3CCOC3=O)CC2)CC1 1631261297 BERBBAXSUNEHOU-SFHVURJKSA-N 419.522 1.533 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1633861759 LGXVXFBGXALACC-ZDUSSCGKSA-N 416.434 1.645 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188202 OWBIODKNNKTKRZ-UZLBHIALSA-N 400.435 1.027 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1634725518 YOUXADODAVDBIC-QMTHXVAHSA-N 407.282 1.831 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1634944241 PPYPICJOYQDDMF-ZDUSSCGKSA-N 408.476 1.733 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCn2ccc3cc(Cl)ccc32)CC1 1635056916 CLTDYLMVHRYZRW-UHFFFAOYSA-N 423.926 1.090 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2c3ccccc3C(=O)N2C)cc1S(=O)(=O)NCC#N 1635638287 JBOHFYMMMWEVTF-KRWDZBQOSA-N 412.471 1.354 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(cc2Cl)NC(=O)CO3)n1 1635721023 BMSPOMHUHQREDM-UHFFFAOYSA-N 402.838 1.789 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC([C@@H](F)C(=O)OCC)C2)s1 1636523671 IGHFYSXDZRHPJZ-OAHLLOKOSA-N 404.485 1.115 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@@H](O)[C@H](CO)C2)nnc1-c1ccc(Cl)cc1 1638813793 DFAOTQBFVZDIMY-DZGCQCFKSA-N 408.911 1.688 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1640619580 NKBMCYLGXNDZOA-MSOLQXFVSA-N 424.419 1.719 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 1641520354 WVOGZHIZOZJUKO-ZHACJKMWSA-N 413.499 1.730 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CC(C)(C)C(N)=O)C3)CC2)o1 1643139772 HZZXKTFPNHXZDX-INIZCTEOSA-N 416.526 1.117 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](n2nncc2I)C1 1644374381 JLNIZHDWYHFSQP-LLVKDONJSA-N 418.235 1.556 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H]2COC[C@H]2O1 1646561458 CARBYOWBFKZGDD-XUVXKRRUSA-N 416.497 1.413 30 10 HDEE CCC[C@H](C)[C@H](CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1646595459 IXEIXHFEDDNTPR-RDJZCZTQSA-N 415.494 1.842 30 10 HDEE N#Cc1cc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)c([N+](=O)[O-])s1 1650776711 BALNFADYDGSBGS-UHFFFAOYSA-N 407.496 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]2C[C@@H]21 1653120510 KOGNGBFGWQKMKO-HOTGVXAUSA-N 420.491 1.057 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cc(C#N)cs2)C1=O 1654928740 AGSFNQRCUKDBGI-HXUWFJFHSA-N 411.487 1.940 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1655034521 GKYKYABWICDSNY-SCTDSRPQSA-N 419.547 1.911 30 10 HDEE C#CCN(C(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1)[C@@H]1CCS(=O)(=O)C1 1661308034 IQHJCERBTQLHLY-LLVKDONJSA-N 413.477 1.177 30 10 HDEE C#CCCCS(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1663353183 UGUCUQKAJMNJOE-ZDUSSCGKSA-N 404.326 1.942 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1663616414 FICFEHQFDCRWMW-UONOGXRCSA-N 406.501 1.050 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1)C(=O)OCC 1664951744 PMVLYLJZNZVBRR-LSDHHAIUSA-N 409.932 1.956 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CCOCC1 1665590638 UELBDYHYFQQYBZ-UHFFFAOYSA-N 400.884 1.559 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCCN2C(=O)NCCn1cnc(C#N)n1 1672542653 PRUQTZXYINFAIQ-KUHUBIRLSA-N 403.487 1.629 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)cs1 1674485062 AOONGYSPXYVKPD-UHFFFAOYSA-N 411.553 1.942 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1676274940 LOTYEQIABCXKBY-NSHDSACASA-N 409.464 1.555 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(=O)N(C)C)c1 1677352939 JOWVFLCYMFLBEI-UHFFFAOYSA-N 403.479 1.640 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1681715458 DBFPJOBZMSKBIK-CQSZACIVSA-N 417.890 1.629 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)CC1 1683464839 OIHPSAJMNMVEFS-OAQYLSRUSA-N 412.534 1.367 30 10 HDEE Cc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1C#N 1683990740 UVULQBXBAWUTFH-UHFFFAOYSA-N 420.466 1.874 30 10 HDEE CC1(C)CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1 1684975513 JPTKCXZMJOFGIG-QGZVFWFLSA-N 420.535 1.779 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1 1685776257 OGNZXUYCKQCEHL-UONOGXRCSA-N 406.449 1.896 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CC2)c1 1689870577 SLVWZTDEMIJGMS-UHFFFAOYSA-N 403.446 1.316 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1689929966 IEULVOZYBXHIMY-SQGPQFPESA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1690020963 CECIGHAJFPQVNH-UHFFFAOYSA-N 405.911 1.144 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1690060658 DNLQELGGNOQAFN-OAQYLSRUSA-N 416.526 1.743 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1690172275 BCDAXNDJSIUFHR-OAHLLOKOSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1690174889 LJPQGJUODJMKIE-INIZCTEOSA-N 424.592 1.696 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690649825 XNAQCOFPCMHAEV-SFHVURJKSA-N 421.548 1.471 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCOCC2)C1 1690697319 SRCRVDWXAYSBII-MSOLQXFVSA-N 413.526 1.485 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1690700845 YQCHRUHOJRZYEV-OALUTQOASA-N 418.586 1.589 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCOCC1 1692513308 NUOKHEIIXOPXMD-UHFFFAOYSA-N 404.515 1.742 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1692561523 HODHUNHNVFXXPC-OAQYLSRUSA-N 407.478 1.058 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694132822 VZZPUSCNHSDYRO-MXLIYFDZSA-N 415.542 1.848 30 10 HDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(C)(C)O)cn1 1696852592 GYMUWUYERBGLIF-UHFFFAOYSA-N 408.466 1.375 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@H]1C 1705485711 NZJLZMZANYQCOC-XFQAVAEZSA-N 406.494 1.930 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1705561799 WMNRIDMVUFPAKT-KRWDZBQOSA-N 423.583 1.677 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CCCO1 1705593086 FLSJLNZKJZDKQU-JOCHJYFZSA-N 416.489 1.953 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1705614958 CEOQTQLFOXKOFV-HXUWFJFHSA-N 409.582 1.997 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCC)CC2)CC1 1705639348 MEBQNOLAMJMMEQ-QGZVFWFLSA-N 405.568 1.516 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705660034 LKOPFJJRTXSWJJ-SJORKVTESA-N 418.567 1.926 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705811353 WLSPQSZJCMGELJ-KRWDZBQOSA-N 422.493 1.994 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705891614 NLEUGMRQDDZVSO-GJZGRUSLSA-N 402.524 1.960 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1705894965 PGCMSEORUGHKGG-UHFFFAOYSA-N 400.531 1.150 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1 1705903210 RFHLWKLCHMXSKE-RDJZCZTQSA-N 423.583 1.887 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCC(=O)N1 1705909355 UUJQKYHMIUOXRV-RYUDHWBXSA-N 406.397 1.052 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CCc1cnccn1 1705935690 ALGOSAUSPVSYDH-UHFFFAOYSA-N 406.556 1.936 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1706751153 GYONZLKLXFFCQB-GFCCVEGCSA-N 410.525 1.053 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCN1CCC(O)CC1 1707909911 IFLZAGITAMNOMQ-UHFFFAOYSA-N 409.538 1.632 30 10 HDEE C[C@@H]1COCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1708259184 CJLYZKISNWUCLB-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1709835759 CNZRSRLIVOQAPD-INIZCTEOSA-N 412.494 1.870 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1711049654 QTENWUNHXQLUSC-UHFFFAOYSA-N 407.434 1.148 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722292093 HJJYXDPRANFIJB-DLBZAZTESA-N 418.505 1.861 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)CN1CCOCC1 1722384270 ROJDGNCCIRNPIW-FQEVSTJZSA-N 421.545 1.919 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)OC 1722399601 DEJGTHGKXUCMOO-GOSISDBHSA-N 407.522 1.950 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1722550216 GUEHFSFHQQMKJP-OAHLLOKOSA-N 406.918 1.963 30 10 HDEE C=CCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690249 CJMWZXGMRJBWEO-ZNMIVQPWSA-N 420.514 1.186 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2COCCO2)C1 1722722112 YEOMLVNGIIAHRE-RTBURBONSA-N 416.526 1.727 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722740943 WIVPXIQLWFTMNR-DLBZAZTESA-N 420.583 1.307 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N(C)C 1723817365 CMGZGYMBTHQNTN-LSDHHAIUSA-N 404.540 1.636 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1740617442 RDIDKORBIRUIRQ-GOSISDBHSA-N 402.520 1.855 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740625813 QHJYHUGCWBSFMM-KRWDZBQOSA-N 402.520 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740638015 GFFXCRRHLIJKPF-QGZVFWFLSA-N 412.519 1.145 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1740674211 XYDSHISWQUOUER-UHFFFAOYSA-N 417.517 1.933 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2COCCO2)CC1 1740696940 LNHFMPXQAKTVFR-IBGZPJMESA-N 411.506 1.048 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COCCO1 1740733465 FCNWTAMFSHSVPA-MGPUTAFESA-N 415.519 1.677 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740811288 PTRXRPJZDVHQOG-UONOGXRCSA-N 408.890 1.301 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(-n2cncn2)nc1 1740942078 AUWBXALEDRAYOP-QGZVFWFLSA-N 410.482 1.792 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740993861 FFXNFVIBUWDGNJ-KRWDZBQOSA-N 418.567 1.949 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1741135330 UCKIPIUWBYPNRT-HNNXBMFYSA-N 419.530 1.911 30 10 HDEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1743821238 HATWYKLUFJVGCT-YWZLYKJASA-N 417.535 1.849 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748716547 YDSNMDSZUMUMHT-INIZCTEOSA-N 414.510 1.496 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811144 CFMYWMRGSKWITO-QGZVFWFLSA-N 418.567 1.630 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749231473 RNPBAZAUFMPEGF-UHFFFAOYSA-N 414.510 1.975 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)c1ccccc1 1749241950 XPIDATBKXUUAGS-QZTJIDSGSA-N 408.506 1.845 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1749471803 SXDAGBCGWGDHHQ-OAHLLOKOSA-N 411.503 1.802 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1749530334 ZBZSQIDNKIDRPW-QFIPXVFZSA-N 424.505 1.632 30 10 HDEE C=CCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749646664 WKPQFBVHIXBRSG-ZNMIVQPWSA-N 404.515 1.950 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)CC1CC(F)(F)C1 1749721629 PRJAXFXAYKFVFG-UHFFFAOYSA-N 419.498 1.499 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCC2 1749956234 XANFWKKUIVRJBX-UGSOOPFHSA-N 404.450 1.030 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@H](C)OC)c1 1760127355 XDYMLICOUVCKBA-HNNXBMFYSA-N 412.494 1.507 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1760129555 RGPZCCAIQSAGQZ-UHFFFAOYSA-N 400.483 1.396 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1760152689 VSRRWRAIZHYXEF-HNNXBMFYSA-N 419.489 1.272 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1760170885 QNJKMLQJZVYSKA-OAQYLSRUSA-N 424.530 1.612 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760209231 ASFFHJOBAUNPIW-UHFFFAOYSA-N 412.494 1.142 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)C)C1 1760244076 XBGPLFHZEZOBNI-IBGZPJMESA-N 416.570 1.721 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CCC)CC1 1760251707 GSGRXNQDJWPGPV-OAQYLSRUSA-N 411.510 1.232 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CCC)OC)CC1 1760257143 PTRFMQFZDGWPEV-DENIHFKCSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2ncn(C)n2)CC1 1760261345 PNXRDTGYVCIHLG-UHFFFAOYSA-N 406.494 1.098 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[S@](=O)C(C)(C)C)CC1 1760271975 TZVDPGGICKJOHQ-LJAQVGFWSA-N 419.595 1.744 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760314630 YLOZSWVNCWQGES-BGTYHANMSA-N 419.526 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760520653 VTSIQQUQWFZNII-AWEZNQCLSA-N 423.443 1.715 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC(=O)N1 1762236505 ZUFKXRDCWIXRNH-MRXNPFEDSA-N 401.515 1.605 30 10 HDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1764211127 MAUAHTXXVRTWDC-GOSISDBHSA-N 409.494 1.847 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)C1 1770726848 AREDMLPKDDSXCT-HXUWFJFHSA-N 424.415 1.746 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC2(O)CC2)c1 1771343917 PXXWFDYVEVUYNE-UHFFFAOYSA-N 401.492 1.613 30 10 HDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1771481651 PUGRUGNQSWAVGB-GOSISDBHSA-N 414.535 1.911 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)C1 1771529534 PIENAMVCNLUZNC-XLIONFOSSA-N 417.441 1.632 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1771529578 QIBBCPQFXVJSNI-JXFKEZNVSA-N 406.506 1.461 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2nccc(C(F)F)n2)cc1 1771532537 DXGGBAARLUCGSM-UHFFFAOYSA-N 410.388 1.529 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#CCN3CCCC3)C2)cc1 1850302648 RLSKSLQXSWTCKZ-LJQANCHMSA-N 403.548 1.611 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2)cn1 1850460091 XDLHLDGURKKMGB-MRXNPFEDSA-N 404.392 1.955 30 10 HDEE CN1CCN(c2nc(NC(=O)C[C@@H]3COc4ccccc4O3)c(C#N)cc2C#N)CC1 1851148776 RXKXSQMEWKUYDT-QGZVFWFLSA-N 418.457 1.745 30 10 HDEE O=C(c1ccc(-n2cnnn2)cc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851690140 NUZIBAUOUMSMBJ-UHFFFAOYSA-N 402.358 1.537 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)nn2)n1 1852793536 NBNIXRDMJAEZEY-UHFFFAOYSA-N 416.385 1.763 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)C2)c1=O 1853190113 XYQKZDNIKFXYOF-ZDUSSCGKSA-N 412.837 1.197 30 10 HDEE CN1C[C@H](CN2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)c3ccccc32)CC1=O 1853921285 FDUAIUHAYJGGKM-GOSISDBHSA-N 402.454 1.959 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1 1853936027 UZCPJAZNWQHLOU-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)Cc3nc(C4CC4)no3)C2=O)CC1=O 1854124308 XRCGHRCGCQJRAX-HOTGVXAUSA-N 415.494 1.321 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1CC(=O)c1ccc2c(c1)OCO2 1854242785 XCOACQBOAQXIBB-AWEZNQCLSA-N 405.410 1.843 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@H]1C 1854281204 HUXWNNUTMNVPHN-ZIAGYGMSSA-N 402.520 1.404 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccccc2-n2cccc2)C1=O 1854283169 XZIVFYFFDGIGDJ-VQTJNVASSA-N 406.486 1.937 30 10 HDEE C=CCC[C@@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 1855301419 PCEKNNXSHRXVLP-TZMCWYRMSA-N 408.480 1.727 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1855618065 HPEFCBKQXJEPMN-KRWDZBQOSA-N 401.488 1.751 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1855618066 HPEFCBKQXJEPMN-QGZVFWFLSA-N 401.488 1.751 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3=O)cc2)CC1 1856063516 HHDJUBWCVCNJMW-UHFFFAOYSA-N 418.519 1.305 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CC(F)(F)C4)C(=O)C3)C2)s1 1856325700 LOTCZIMOCHLRPB-AWEZNQCLSA-N 408.474 1.910 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3cncnc3)C(=O)C23CCCC3)cc1 1856588617 CWANIIHGIRKXCD-UHFFFAOYSA-N 403.442 1.828 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1[C@H]1CCS(=O)(=O)C1 1856721027 GEVOOZODXVNWTM-KRWDZBQOSA-N 403.504 1.127 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(CCn4cccn4)CC3)C2=O)c1 1856762316 PKCMPPUYRZPSOE-HXUWFJFHSA-N 406.490 1.204 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857066948 BHICWUBPTORTGE-RDJZCZTQSA-N 414.506 1.651 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2nc3ccccc3o2)C1)[C@H]1CCN(C)C1=O 1857262325 JYOXMBBMSZQYFT-RDJZCZTQSA-N 410.474 1.464 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)s1 1858337096 WKUKQAGDHCZKDA-CQSZACIVSA-N 411.530 1.670 30 10 HDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN(CCOC)CCOC 1870523310 CXZJYPRLNIUUMS-QGZVFWFLSA-N 409.527 1.423 30 10 HDEE C=CCn1c(C(=O)N(C)CCO)cc2c(NCCCCN3CCCC3)ncnc21 1875230817 PCSMAZJBBGYVMS-UHFFFAOYSA-N 400.527 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)ON1C(=O)c2ccccc2C1=O 1880980500 SNZBCOUELLQQIX-GFCCVEGCSA-N 418.431 1.728 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(Cl)c1 1889597351 HKQKPYWERDZJBR-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE COc1ccccc1OCC#CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O 1890838984 CSSHLDYKQBQXJJ-UHFFFAOYSA-N 414.439 1.038 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)CC1 1891338157 WSINVTLVFWLIRQ-OAHLLOKOSA-N 410.503 1.359 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC(C#N)CC1 2140653805 ILOPSQUGXUMWFQ-KGLIPLIRSA-N 404.558 1.407 30 10 HDEE COC1CN(S(=O)(=O)N(C)Cc2sccc2B2OC(C)(C)C(C)(C)O2)C1 2161948325 RXBZTVVDUMWDFQ-UHFFFAOYSA-N 402.347 1.055 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(Cl)n2)[C@H]2CS(=O)(=O)C[C@@H]21 2162863739 VYXVYXDGXSHFLM-STQMWFEESA-N 412.899 1.829 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N(CCC#N)CC(F)(F)F 2181052587 GCJCMGQVKFNLFN-LLVKDONJSA-N 415.434 1.619 30 10 HDEE Cc1c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247918169 JNEKJQOCMXXFGU-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O2)C1 2248479000 ATORWBWFWORGEA-OAHLLOKOSA-N 420.315 1.906 30 10 HDEE C=CCC(C)(C)CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258182392 AUVHAEMDBLJVKT-MRXNPFEDSA-N 412.508 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CC(C#N)C2)[C@@H](C(F)(F)F)C1 2281055000 CPUBZDTZODGISW-VXGBXAGGSA-N 412.434 1.607 30 10 HDEE C#CCN(C(=O)[C@@]1(CF)CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2281292310 RYUQNQLUELHJSL-KBXCAEBGSA-N 402.488 1.232 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CC(O)C4)C3)cc2Cl)OC1(C)C 2282305935 GHSDYZHMPGGYEY-UHFFFAOYSA-N 419.761 1.846 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CN[C@@H](C)C1 2282322407 LRPKXLGPUNBYFD-WCQYABFASA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](O)C4(CC4)C3)cc2Cl)OC1(C)C 2282415991 OYHWNTXWURQEDK-NSHDSACASA-N 419.761 1.846 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282498949 LMXUKJMQVGGRJR-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE Cc1nscc1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510216 VXCPURVJPATILY-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2282589020 YCPIWNZUJAWKRB-LLVKDONJSA-N 402.347 1.304 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](CN)C1 2282832641 QMXHLZQEBMKEKK-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CO[C@H]1CC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838737 UCNYQBZWSAIIEX-YPMHNXCESA-N 402.347 1.287 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@@](=O)C[C@H]1C 2282840247 FCUYWIFRTLCMPM-SSINHNECSA-N 419.399 1.497 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@@](=O)[C@H](C)C1 2282841659 PEXZZQHVOPUKAO-SSINHNECSA-N 419.399 1.497 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](N)CC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282847307 XHYIBECIIKBXFB-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCOC[C@H]3C(F)F)c2)OC1(C)C 2282848080 ITWOPBNEIHTGHX-NSHDSACASA-N 409.285 1.702 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@@H]1C(=O)O 2284408103 SCLOUFGAIFEDCU-QWRGUYRKSA-N 401.315 1.355 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2342064474 SFSKKBVCNZPGIE-NQIIRXRSSA-N 420.531 1.319 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs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c1nc2ccc(I)cn2c1/C=N/N[C@H]1CCS(=O)(=O)C1 3218916 DJXONDHGXBXIKZ-DMSFABOWSA-N 418.260 1.358 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 55078510 FUPSGLVPVWYEBW-UHFFFAOYSA-N 408.458 1.790 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1C1CC1 59911765 MGYCQWCDRJAPCR-UHFFFAOYSA-N 403.512 1.469 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)c(C)n1 102744268 RBYSAQXZORBJSI-LAFOYAEKSA-N 423.473 1.242 30 10 HDEE O=[N+]([O-])/N=C(\N/N=C\C=N\N/C(=N\[N+](=O)[O-])Nc1ccccc1)Nc1ccccc1 105667953 BXGOPTVQIZJBBS-MJZABRMRSA-N 412.370 1.457 30 10 HDEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccnc1 170356582 HSJRUUJQCBIWRZ-MRXNPFEDSA-N 401.444 1.854 30 10 HDEE Cn1ncc(C#N)c1NC(=O)Cc1csc(NS(=O)(=O)c2ccccc2)n1 170576816 INAPGHNICATJBZ-UHFFFAOYSA-N 402.461 1.730 30 10 HDEE CN1C[C@@H](Nc2cc(C#N)c([N+](=O)[O-])c(N[C@@H]3CCC(=O)N(C)C3)c2)CCC1=O 462876392 VYGFHVHBTJHIFS-UONOGXRCSA-N 400.439 1.532 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 463530625 CRWYNQVTXVGFGX-PSBWJHGTSA-N 413.430 1.662 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccn3)no2)CC1 468216671 URJZTYNGMCQNMD-UHFFFAOYSA-N 423.454 1.755 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(c4ccccn4)CC3)CC2)c1C#N 472109508 ACZZOMPBWWFNSL-UHFFFAOYSA-N 408.510 1.496 30 10 HDEE C=CCCCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 474086209 BHAUHTQIAVKJLA-SFHVURJKSA-N 402.543 1.907 30 10 HDEE Cc1cc(C)nc(-n2nccc2NC(=O)N2CCN(c3ncccc3C#N)CC2)n1 475006091 JGVXZMQJOGEBEP-UHFFFAOYSA-N 403.450 1.900 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)C1=O 489574892 SRGRGPBNOVTPML-CQSZACIVSA-N 420.472 1.194 30 10 HDEE CCc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 491223530 NCYHTROFEITOSY-UHFFFAOYSA-N 419.528 1.816 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl 503723531 HCVYRCKGDFDSIL-GBOPCIDUSA-N 412.851 1.325 30 10 HDEE COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@@H](C(=O)OC)C1 503871396 KZTAJPZMPBDJQF-IINYFYTJSA-N 400.840 1.327 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 506199257 ONMJTDFZMJOAIA-HXUWFJFHSA-N 401.467 1.091 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 508494197 OAUTZHZRKYYMCZ-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 508711947 GFMUDYPJZWVSIL-KBPBESRZSA-N 403.499 1.532 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2CC(F)F)CC1 513382622 YBACCVDTBGAJDU-QZTJIDSGSA-N 410.440 1.891 30 10 HDEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 518720212 JMICIUXGYMFUGK-UHFFFAOYSA-N 413.543 1.830 30 10 HDEE COc1ccc(C(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 533141735 HOWUNDORNGWAMF-CQSZACIVSA-N 407.492 1.480 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C1 538404037 PAAJQRVHLIIYAK-ZIAGYGMSSA-N 402.480 1.770 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CCCC1 544730827 KLYZOLDQYWVNRF-INIZCTEOSA-N 403.570 1.727 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)CC2)n1 546926471 OQASSQKVIFXFGA-NRFANRHFSA-N 420.517 1.858 30 10 HDEE C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)N1CCc2sccc2C1 585729558 UDYRMOVNNBLWMP-ZDUSSCGKSA-N 400.479 1.938 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1CCN1CCOCC1 614909204 KMYLPPRWVGWIHW-UHFFFAOYSA-N 417.556 1.032 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 619209589 PPVPAUWCVPPDBU-UHFFFAOYSA-N 411.487 1.373 30 10 HDEE COC(=O)c1ccc(OC(C)C)c(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732428348 DANBCNFNCIUYDY-ISLYRVAYSA-N 416.434 1.908 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CCN1C1CC1 732697549 HCEVINNWVYBARW-OAHLLOKOSA-N 407.471 1.570 30 10 HDEE CC1(C)Cc2cccc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)c2O1 738010542 LVUFJHPZCVLEKL-QGZVFWFLSA-N 407.495 1.829 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC1CCOCC1 739092137 YYECTDLXCNFNOT-GOSISDBHSA-N 412.490 1.690 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 741339538 HDQUBAWUQXDXAD-GTVMRRANSA-N 403.357 1.247 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC(C)C 743917308 GAVINRDRRIJSMA-ZCXUNETKSA-N 400.435 1.363 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 759062825 AOUOIIWQRBKYRH-YWMAMYRUSA-N 406.483 1.666 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 760685175 IJPZLHYGKQOEBE-OAHLLOKOSA-N 402.499 1.946 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C3CC3)s2)c1=O 761837444 YBEFNNDJWURLQP-UHFFFAOYSA-N 415.540 1.762 30 10 HDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)CCCS(C)(=O)=O 765230433 VYZHEOBWNPUBGR-UHFFFAOYSA-N 412.283 1.473 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCC#Cc2ccccc2)C1=O 771242629 JEOWLOJZWGDLRB-HSZRJFAPSA-N 405.454 1.939 30 10 HDEE C#CCN(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774251133 NFTLBZBLHIOCHB-HZPDHXFCSA-N 415.556 1.902 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cnn3c(=O)cc[nH]c23)nc1C 774354248 KIFIUMCCWVILBC-UHFFFAOYSA-N 414.476 1.773 30 10 HDEE COc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1C 775068900 SHANCCAPPVGJAB-ZDUSSCGKSA-N 405.480 1.521 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCNC(=O)c2ccc(Br)cc2)cc1 780904755 ITRSOVVBDUGITJ-INIZCTEOSA-N 402.248 1.900 30 10 HDEE C#CCN(C(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 782584095 AXIGWOOTFCHHHM-CYBMUJFWSA-N 424.422 1.211 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(-c2ccccc2)ns1 784715751 CXIUPECXWMOAMJ-MSUUIHNZSA-N 411.443 1.391 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786682226 FIFLJGNXKQHHLM-OAHLLOKOSA-N 409.533 1.497 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(C(=O)OC)cc1 789968200 MLYRJXZIOHFSJB-ZDUSSCGKSA-N 414.491 1.950 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361462 WOTYSLFVWXUNSQ-UHFFFAOYSA-N 414.490 1.601 30 10 HDEE C#C[C@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 790704920 HCGHLEIXBORLDZ-IAGOWNOFSA-N 418.567 1.704 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 793196579 XIDACPJFVIBWJB-INIZCTEOSA-N 405.476 1.785 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 795816571 JVFPFUYMIUDSLX-VQTJNVASSA-N 412.490 1.257 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2ccnc(C#N)c2)NC(=O)N[C@@H]1c1ccccc1 795967661 PDOJFEQOUCDVFS-GOSISDBHSA-N 406.398 1.981 30 10 HDEE C[C@@H]1C[C@@]2(CCO1)CN(CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C[C@@H](C)O2 797417428 RQRVDFSVQPXYMG-YVHKJVDXSA-N 412.490 1.938 30 10 HDEE CC(C)c1ccc(CN2CCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 798742533 PGBAXDBZSRFRTK-KRWDZBQOSA-N 424.505 1.722 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 801949134 JREYWJYZNOWING-IUODEOHRSA-N 417.466 1.921 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1 807224304 SXHZDKXQEZHSLT-SREVYHEPSA-N 424.457 1.204 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1127038394 SPOLABSPFJMBMN-CABCVRRESA-N 414.911 1.773 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](F)C(=O)OC 1133490866 IMALSSYIUPFVGD-NSHDSACASA-N 403.204 1.726 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 1134267740 GLVMQZWGTWZKMB-ZRGWGRIASA-N 407.492 1.239 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1136223763 VUOIIDHDDXNJOF-YFHOEESVSA-N 420.418 1.498 30 10 HDEE N#Cc1cn(CCC(=O)NCCCc2ccc(Br)cc2F)c(=O)nc1O 1136759108 VSARXJIHXPTILN-UHFFFAOYSA-N 423.242 1.861 30 10 HDEE C#CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cn1 1139861226 RFLBEZPUDQUCMV-HSZRJFAPSA-N 415.453 1.753 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CSc2ccc(S(N)(=O)=O)cc2)c1 1141949559 RJGPHFHGWPGVRK-UHFFFAOYSA-N 403.485 1.162 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)c2ccccc2C1 1147754674 IGEBOZFRDWRTQX-CQSZACIVSA-N 412.471 1.230 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCC(=O)NCc3ccccn3)n[nH]2)c1C 1152366806 PSEVAZANILDOMI-UHFFFAOYSA-N 407.478 1.907 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)OC 1152692713 ASAOAKNQZHJGQX-KBPBESRZSA-N 400.472 1.657 30 10 HDEE O=C(C1=NN2CCCN=C2N1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157808220 YYNSOPNYESXKEZ-RNFRBKRXSA-N 419.276 1.594 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C(=O)NOC)CC3)ccc2c1=O 1161775320 YQEDZJKFYBWEHR-UHFFFAOYSA-N 402.476 1.401 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@]1(O)CCCOC1 1164440205 HEAHGDOPZRJNKZ-OXJNMPFZSA-N 423.535 1.332 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc(N)o3)CC2)s1 1164440949 RQWJSNIMBWSIAQ-UHFFFAOYSA-N 411.509 1.126 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1166518326 MFLGZJWKLJSILM-RVKKMQEKSA-N 405.520 1.938 30 10 HDEE CC(C)CNC1(CO)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1168301561 YUEGVOXTQFLOSK-UHFFFAOYSA-N 411.499 1.336 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)OCC 1171431683 ZPSPALOANCRMMN-VIFPVBQESA-N 407.648 1.962 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 1177758521 BXRRLCYOSVBQNP-WMZOPIPTSA-N 408.543 1.256 30 10 HDEE C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1195567592 NHBRIDNNIKWHSV-DLBZAZTESA-N 405.520 1.380 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@]1(O)CCN(Cc2ccccc2)C1 1196575192 RRPVTJLHHPLAHK-RUZDIDTESA-N 417.509 1.855 30 10 HDEE C#C[C@H](CC)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1229531807 NTIISBGMVKKPAJ-QXSJWSMHSA-N 406.483 1.622 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1C#N 1255378839 YJNRLWBHWJEGFU-UHFFFAOYSA-N 410.503 1.806 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNS(=O)(=O)CC 1286279043 JEJOXAMETUFXGU-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1286349182 FSMIBEDHVSOIBS-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1286392253 BEGHVMFUKKCJTK-YJBOKZPZSA-N 412.581 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)N(C)C)CC1 1286474304 HBKUWHUYKRFASW-UHFFFAOYSA-N 418.904 1.971 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H]2CN(Cc3ccccc3)CCO2)CC1 1286478773 KNCVISPUYXGSPR-OAQYLSRUSA-N 408.550 1.497 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1286697636 CRCNOGDPVYDLJR-UHFFFAOYSA-N 421.505 1.860 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1286714816 TYEBWGQWBOSSJS-AWEZNQCLSA-N 420.539 1.309 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286787847 KHDRDJLUTNPGLP-QVKFZJNVSA-N 415.469 1.321 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CO)c1 1292132463 BIVYYCAEYHDTSK-GOSISDBHSA-N 412.494 1.466 30 10 HDEE N#Cc1ccc(O)c(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1295828544 QPQVSXMZJTVYHO-UHFFFAOYSA-N 407.473 1.723 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1299960857 IWDACTAJSDRISD-QZTJIDSGSA-N 408.520 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1300309331 SOGNYIHMVFJZHM-YJBOKZPZSA-N 402.520 1.833 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300323135 WVCVFQATBHNCGR-OXQOHEQNSA-N 418.519 1.173 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300482787 HBMXERRXIIZSIP-GJZGRUSLSA-N 419.473 1.097 30 10 HDEE N#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1300689648 OGTOBJGNFWZTRW-PBHICJAKSA-N 406.464 1.900 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NCCC)CC1 1300701173 JBWMEPSLEXNHHA-UHFFFAOYSA-N 412.513 1.680 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1300813312 FUKJBAHZXJEPTI-OXJNMPFZSA-N 419.551 1.360 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301222822 HAMHCPXJIIMKDT-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1301268413 KEJCNIYIJXSFTA-MRXNPFEDSA-N 405.886 1.899 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(=O)C(C)C)CC1 1301454112 LHSSKEUNBFMFBD-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2ccccc2)CC1 1301499375 BRSXJZUBUCJCLF-GOSISDBHSA-N 410.522 1.801 30 10 HDEE Cn1cc(-c2ccnc(C3CCN(CC(=O)N(CCC#N)CCC#N)CC3)n2)cn1 1307969876 VLGPNNNUEBXGMT-UHFFFAOYSA-N 406.494 1.712 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)ccc1OC 1311961923 CGFUXVOORWZAQP-HUUCEWRRSA-N 410.496 1.209 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1316333754 GWWMEAKUUMUTKS-HNNXBMFYSA-N 421.910 1.904 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(=O)OC)C1 1358934398 ZWQRUPDMRPDGKY-AWEZNQCLSA-N 401.492 1.682 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC1CC1 1359109615 IIVGHEFAIDPMPB-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359123284 WCGSODQXEOFLKP-KRWDZBQOSA-N 409.538 1.629 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1359154827 DRGFURGJMZKGQL-UHFFFAOYSA-N 420.949 1.150 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1359215404 AWEJMAZFMPBUBP-MRXNPFEDSA-N 409.556 1.594 30 10 HDEE C=CCNC(=O)Cn1c(N2CCc3sccc3C2)nnc1[C@]1(OCC)CCOC1 1359306060 UUYCPDFLKOTFED-FQEVSTJZSA-N 417.535 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCCC2)CC1 1359333350 VFNVSXSMAINOCI-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359477196 SZNSIAGHBWBWEG-HUUCEWRRSA-N 419.530 1.910 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1441453696 WXWRCAGLXKPHFQ-OLZOCXBDSA-N 424.951 1.054 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1446786925 RSUXPHJLZMLZKL-QZTJIDSGSA-N 414.506 1.996 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)C[C@@H](OCC)C2(C)C)s1 1448866893 UETZTIBPGKVFJU-KDOFPFPSSA-N 416.565 1.437 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H](CCO)c2cccc(C(F)(F)F)c2)c(=O)nc1O 1450022016 BXMIXAMYBQXLSD-CQSZACIVSA-N 410.352 1.469 30 10 HDEE N#Cc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1451462414 PPFIYOWAMGRCRK-UHFFFAOYSA-N 400.435 1.832 30 10 HDEE C[C@@H](CC(=O)NCC(C)(C)C1=CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1457206229 HETOTTNPRUDBHU-AWEZNQCLSA-N 405.520 1.993 30 10 HDEE CN(CC(=O)N1CCC2(CC1)CC(=O)C=CO2)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1463088012 OGXHOFYGDPPZNS-UHFFFAOYSA-N 423.447 1.080 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)c12 1464263120 CHSJFGDEIHQFTQ-UHFFFAOYSA-N 401.426 1.542 30 10 HDEE COc1ccc(CNC(=O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1464475019 IRVQZEZFEJSPGC-UHFFFAOYSA-N 419.434 1.178 30 10 HDEE C=CCC[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OCC 1468126712 XUWWLBIVXBBNBT-INIZCTEOSA-N 410.492 1.335 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H](c1ccccc1)C1(CO)CCOCC1 1469486216 IUFJIGWTYJOUGY-LCPUNJGISA-N 413.474 1.550 30 10 HDEE C#C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1F 1470668772 YRHOEHOONZSINB-OAHLLOKOSA-N 401.785 1.554 30 10 HDEE CC(C)c1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(F)cc1 1472371424 WIYKZTKEHQENOC-UHFFFAOYSA-N 422.420 1.966 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1=O 1473528656 YFZHFLZXRLKTOE-IRXDYDNUSA-N 404.515 1.727 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(CC(=O)NCc3ccc(C#N)cc3)CCO2)cc1 1473669721 BYJPWVLJYLLILK-FQEVSTJZSA-N 413.499 1.651 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21)[C@@H]1CCS(=O)(=O)C1 1479078926 JEVXCCGILVCVEF-QQDQCYIDSA-N 423.332 1.919 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1503279941 FIBXAFUBYVGWLQ-IRXDYDNUSA-N 416.507 1.124 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)C1=O 1503673955 HVJCLWGKCQPJBU-QFIPXVFZSA-N 424.505 1.416 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1 1507641271 BSLPRWOAPBUMIU-JOCHJYFZSA-N 408.506 1.512 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1507706242 JZWSLORGKCNXMQ-INIZCTEOSA-N 418.519 1.474 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(N(C)C)CCC2)CC1 1507726297 ASFKVXPRECMXHZ-UHFFFAOYSA-N 413.595 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN2CCC[C@H]2C)CC1 1507736794 SAPXWGFZALNVMG-GOSISDBHSA-N 421.549 1.790 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507784555 LLRYGFCLNCCVLZ-KRWDZBQOSA-N 403.284 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C1CC1 1508144929 UXUYAPHGQDGBQA-UHFFFAOYSA-N 400.508 1.716 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(N)=O)CCCC2)CCOC1 1508409922 CQAAOFQXTWKTOH-IIBYNOLFSA-N 418.542 1.960 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@H](O)C2)CCOC1 1509813025 AKFIOQWWRMAUAW-LXGFNABISA-N 419.526 1.599 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1515797128 NIMKHGKAHHSWGS-GOSISDBHSA-N 422.493 1.718 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)CC1 1515900460 DVXBOSVNOVNDPT-UTKZUKDTSA-N 414.533 1.752 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C(C)C)N3Cc4ccccc4C3=O)CC2)c1C#N 1516423571 IBORRDDDJDJZKB-HXUWFJFHSA-N 420.517 1.929 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517668514 DARFJXNJPXMCDK-DCOQFNDQSA-N 414.466 1.071 30 10 HDEE C=C(CC)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1525399720 MIIXXUJIQPSYFD-UHFFFAOYSA-N 421.563 1.999 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)c1 1528784839 ZSRJLNRJKANLHZ-UHFFFAOYSA-N 400.456 1.473 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1539071887 GRWHWTIVRBDVOB-INIZCTEOSA-N 411.572 1.897 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539115669 AQUHTCFEDWMHGK-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1539230190 CLNKCHNUFNTQES-BRWVUGGUSA-N 424.592 1.900 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1C 1539401135 UQEMYLVUHWOEBB-UHFFFAOYSA-N 419.287 1.299 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1539519532 KAXAOPJTRQRTIT-QGZVFWFLSA-N 418.611 1.776 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1539668111 SXBILAWXRYKJTL-MOPGFXCFSA-N 417.602 1.905 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1541089041 SCNBPNOYPULQAH-QGZVFWFLSA-N 405.462 1.748 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)c3cccn3CCN3CCOCC3)CC2)nc1 1542785433 BVPYGEDGJQPCKD-UHFFFAOYSA-N 408.506 1.486 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1542828366 OLPAWZOQCLKTCV-UHFFFAOYSA-N 404.478 1.799 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)ncnc1-2 1543058707 XRJFMUDZUMXAAO-DINDLPBHSA-N 418.299 1.357 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(I)cc1 1543340402 UXDPHEZCNKAKQA-CQSZACIVSA-N 409.231 1.968 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCCC23OCCO3)s1 1546065141 FZXKYRHLBUQSEO-CQSZACIVSA-N 400.522 1.557 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnn(CC)c1 1548170908 DARWBBHVRUXQKX-UHFFFAOYSA-N 421.509 1.673 30 10 HDEE COc1ccncc1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555120351 AUWMGORGMDFMPL-CQSZACIVSA-N 405.466 1.415 30 10 HDEE COC[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555369381 GIDUZPAEWUCQQB-RAJOGRCSSA-N 402.499 1.476 30 10 HDEE C=CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1556205186 SLLUDCODPFZJQX-RBUKOAKNSA-N 422.547 1.294 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1557895761 NPMGMAHYKKIEIJ-AWEZNQCLSA-N 402.455 1.363 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 1558395825 BVTWDBDAFMKRBI-UHFFFAOYSA-N 422.485 1.964 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC2(CCOCC2)CC[C@H]1CO 1559999171 ZHUOMCWHXBTLIM-IBGZPJMESA-N 409.490 1.936 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)ccn1 1561734557 CRMHUFSEJOOZIB-MRXNPFEDSA-N 418.450 1.684 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(CC(=O)NC)CC1)c1ccc(Br)cc1 1563446516 KIGCFZHZYVAULF-INIZCTEOSA-N 407.312 1.633 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1587915287 HWMBYLQYOOEFLM-HNNXBMFYSA-N 423.514 1.954 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1 1588180505 HARZEMGJYLVYQA-INIZCTEOSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1588237833 FXKBCDRHSDTTNJ-UHFFFAOYSA-N 419.464 1.682 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1)C1CC1 1595021019 QJKOJOWYBFACRS-JSGCOSHPSA-N 417.626 1.892 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1595366774 NSOZGEGYKQLKCS-NRFANRHFSA-N 410.478 1.954 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1595601921 AKAQSSQZSDQBJE-JHJVBQTASA-N 403.405 1.588 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCC(C)C)C1 1595785290 VNYMOJNKTZMKOK-QGZVFWFLSA-N 422.555 1.531 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1595807633 HYMVMRRZURYSAH-DGCLKSJQSA-N 407.264 1.978 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2ccc(Cl)cn2)s1 1595926583 YNKTWHHWMCNWHA-UHFFFAOYSA-N 415.924 1.999 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1603662193 DMZYARGTUZMXAE-HIFRSBDPSA-N 410.268 1.429 30 10 HDEE Cc1nc(CCn2c(C(C)C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)n[nH]1 1612417374 BCMOXJHUEMUZLY-UHFFFAOYSA-N 406.498 1.664 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1615803292 IADOEOCMGNBARU-IAGOWNOFSA-N 424.571 1.031 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC(C)C)ccc1F 1616735441 XJBMMNMRSYKVFS-UHFFFAOYSA-N 412.483 1.930 30 10 HDEE C#CCN(CC(=O)N1CCC(CNC(=O)C(F)(F)F)CC1)C(=O)OC(C)(C)C 1626538307 WNMOXIISMBLFEA-UHFFFAOYSA-N 405.417 1.774 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCO1 1626973479 ORMFILIOLQNJDI-KRWDZBQOSA-N 404.444 1.616 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)c1cc[nH]n1 1627153967 DNUMHKVJHLXDKJ-GOSISDBHSA-N 404.467 1.501 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2noc(CC)n2)CC1 1627166128 WDPNWICVIPWPRP-OAHLLOKOSA-N 405.499 1.583 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(N(C)C)CCSC2)s1 1629292041 PMXXUIKNKZPQAU-MRXNPFEDSA-N 403.595 1.308 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1630149515 YSQFBLMSENCYPT-CABCVRRESA-N 418.560 1.268 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](N3CCOC3=O)C2)C1 1632227947 JFXZTRIKKWHSDQ-HNNXBMFYSA-N 419.279 1.810 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)CCOC1 1633316790 OFFKIQPGCQVARK-UGKGYDQZSA-N 415.490 1.438 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1634492622 RLNPEQDMSAMZBC-UHFFFAOYSA-N 422.503 1.023 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1634555077 PHMYWOXPRWDBOZ-LJQANCHMSA-N 419.547 1.504 30 10 HDEE C=CC1(CC(=O)N2CC[C@H](OCCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1635681700 VMOTZARWSRBMEN-SFHVURJKSA-N 423.554 1.749 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 1635737305 KWLAONMMQJMZHC-ZDUSSCGKSA-N 405.252 1.459 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1637715317 MPULIGTYHLFIGV-WMZOPIPTSA-N 413.474 1.939 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NC[C@@H](O)c2ccccc2Br)cc1 1637960088 CTZQJWGZUPQHDM-MRXNPFEDSA-N 402.248 1.900 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1 1638843657 JGLUMGXHSYFQAC-UHFFFAOYSA-N 401.444 1.313 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 1638849143 WGMQKFQUNXREGH-MRXNPFEDSA-N 409.471 1.934 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1639459697 POYMAADEPHFUCW-OXQOHEQNSA-N 419.503 1.602 30 10 HDEE COc1ccc(C(=O)NCC2(C#N)CCCC2)cc1S(=O)(=O)N1CCOCC1 1639709561 ONAXIGDFJUNQEH-UHFFFAOYSA-N 407.492 1.530 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1640916050 ISEKPQHRNZNQOO-VQTJNVASSA-N 408.437 1.968 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccccc3NC2=O)ccc1F 1642450360 OLJRMIYTLZGPIX-INIZCTEOSA-N 403.435 1.583 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccccc2O[C@H](C)CC)CC1 1643372267 DBJXAKQLSLCZRK-QXPKXGMISA-N 405.520 1.489 30 10 HDEE CN(CC(=O)NCc1ccccc1CN1CCCC1=O)C[C@H](O)c1cccc(C#N)c1 1643722797 WUQMGRROLKKXSK-QFIPXVFZSA-N 420.513 1.962 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)c1cnn(CCC#N)c1-c1ccccc1 1643762507 DUCTXVJIVLMLNE-UHFFFAOYSA-N 402.418 1.467 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)s1 1644588165 YLGCLUIGDPSBPP-QGZVFWFLSA-N 419.528 1.819 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C2CCOCC2)C1 1645204633 COVCCCAJBKGJOF-CRAIPNDOSA-N 405.520 1.890 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c1 1645246900 KJPZDZFFOGFXNE-GOSISDBHSA-N 417.469 1.849 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)cc1 1648030980 BLESKZKWVYYAEH-UHFFFAOYSA-N 411.439 1.504 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H]2CCOC23CCOCC3)CC1 1648562905 BEWDPWIDZMPDAE-FUHWJXTLSA-N 404.536 1.385 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 1648580917 YRTUJTBZKSPVPS-INIZCTEOSA-N 414.466 1.738 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cc2cnn3c2CCCC3)c(=O)c1C#N 1650983359 XHZAXNLXHOCYRV-UHFFFAOYSA-N 404.268 1.945 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CC[C@H](O)[C@H](O)CC3)C2)C1 1652215514 DEJJXTQCEJNJED-FTCAPAJQSA-N 407.511 1.554 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 1652459726 KSLKCGMPLRUHDJ-PXNSSMCTSA-N 400.523 1.363 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1656355483 ZWGQBXZULPKOKU-QRVBRYPASA-N 421.586 1.771 30 10 HDEE N#Cc1ccc(NC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1656530848 QIGMFKFEEFPUIL-BBRMVZONSA-N 401.410 1.938 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(=O)OC(C)(C)C)C3CCC3)CC2)o1 1659208653 CKYMYJHGIQKGKK-UHFFFAOYSA-N 417.510 1.700 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 1659646581 DDOHGKRXWMYMDM-SFHVURJKSA-N 406.552 1.811 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)CC1 1664543925 DQQODHTXBBCKHF-UHFFFAOYSA-N 402.266 1.385 30 10 HDEE C=CCCCS(=O)(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1666033299 XCINATUBDOVTQS-CQSZACIVSA-N 410.558 1.296 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)nn1 1683314869 ASRBCFNEAOEBPK-HNNXBMFYSA-N 406.487 1.432 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CCO2)cc1 1684465440 YTNUFTXIYDEVIA-FCHUYYIVSA-N 421.501 1.937 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1689824781 WZQRIVIASJMCOI-MRXNPFEDSA-N 408.506 1.722 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1689835515 NXGWLAHAKOLNLN-APFMSCDFSA-N 420.473 1.938 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690154429 NWRZTMAMIFVSMD-MRXNPFEDSA-N 417.539 1.094 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCS(=O)(=O)CC 1690218386 DSYUDGQKPJCRQN-UHFFFAOYSA-N 422.349 1.196 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690360949 CHWOIPNWJJWFDQ-QXSJWSMHSA-N 400.907 1.995 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1690619742 BDXRIIVISZSHCU-HNNXBMFYSA-N 419.482 1.450 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690740084 IPTVOPAOPXVBJR-SFHVURJKSA-N 422.580 1.613 30 10 HDEE CC[C@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694948968 PYATWGPQRHZBOW-IJYGLTAASA-N 402.499 1.618 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCSCCCO)CCN1C1CC1 1698493308 LDWYOYPPQMUPND-FUHWJXTLSA-N 420.583 1.464 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705532318 LOIHVBPXWRMNRQ-INIZCTEOSA-N 416.503 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCSC1 1705577981 BBKCNLNZJLTZHI-OAQYLSRUSA-N 412.515 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1N1CCOCC1 1705583181 RXOMBZFJTOCIFH-HXUWFJFHSA-N 405.502 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@H]1C 1705596206 WZMGYVWXWXHFOA-BTYIYWSLSA-N 411.462 1.009 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)no2)CC1 1705632430 PWNSWNDFDMFBKB-UHFFFAOYSA-N 406.450 1.025 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cccs2)CC1 1705637986 TZQZJQBEWCTVGS-HXUWFJFHSA-N 411.535 1.403 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705640859 IMWZCOPCQAWFKQ-RBUKOAKNSA-N 413.497 1.303 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCC1 1705666432 FSKBLTUHGBPTEL-CRAIPNDOSA-N 409.556 1.697 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705893620 CBMUXTHCOMFLHA-HKUYNNGSSA-N 420.558 1.179 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCNC(=O)CC1 1705908221 LBTHDEXZQSAFHF-UHFFFAOYSA-N 412.494 1.048 30 10 HDEE COCCOCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1712610962 NLNCWPROHQLYQI-GOSISDBHSA-N 401.467 1.736 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1712880496 ATFLKXCPURZBGD-ZZEZOPTASA-N 419.445 1.180 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1722301129 AEWDCRSRZHJKAS-OAHLLOKOSA-N 421.498 1.490 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1722410651 KZCHXNFGCQVEKN-IBGZPJMESA-N 403.490 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)C1CC1 1722423623 KJYXCTFVFCKZTC-UHFFFAOYSA-N 402.886 1.606 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CC)CC1 1722431983 UOJSLJYSOZKHLI-SFTDATJTSA-N 405.543 1.235 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(F)(F)CO1 1722446197 ALEIMUGWFMNDND-CYBMUJFWSA-N 423.420 1.516 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722453559 XSXXMDUQSSZDKC-HNNXBMFYSA-N 420.539 1.157 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1722630568 JRBGRYOIYNJOJE-AWEZNQCLSA-N 400.474 1.395 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)CC1 1722742988 MRPYDTBJRKDKEG-UHFFFAOYSA-N 404.584 1.994 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)CC1 1724012526 UCKCQLVVJOHXNA-SJORKVTESA-N 416.526 1.802 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC1CCCCC1 1726403603 IQSUGSQHIMBKHO-UHFFFAOYSA-N 408.510 1.629 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2nc(C)no2)CCOC1 1728794047 DJXPTZCCEQAAQH-OALUTQOASA-N 419.461 1.696 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1729125221 UFMSLURURWBYQG-CVEARBPZSA-N 409.556 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1740548395 APNILGVEDBFWOS-IYOUNJFTSA-N 408.549 1.607 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1740549824 NXZGVTJYNMBOHO-HNNXBMFYSA-N 415.494 1.907 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740565281 QGCMPTZWSHZXTM-KRWDZBQOSA-N 400.527 1.811 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740624371 IKRNZOUKQOKIMG-OALUTQOASA-N 419.595 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740644699 PWIZZNYTLLKPDF-MRXNPFEDSA-N 424.471 1.763 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1740690356 SBMIEXDCPRUEIG-UHFFFAOYSA-N 415.563 1.805 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](CCC)OC)CC1 1740692220 GQBFXQJLRVIDIU-RXVVDRJESA-N 405.543 1.501 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740718165 ITJLHQNLISREFB-OAHLLOKOSA-N 414.535 1.195 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740795038 MOQFHHBJOWUBPZ-LPHOPBHVSA-N 410.540 1.390 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740864019 ITTBYGYHNGVJIE-JKSUJKDBSA-N 407.540 1.348 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1740889907 SYAGWWZQWWPDCV-QUCCMNQESA-N 418.586 1.996 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1740900601 TVKZGAWMXDLABC-GOSISDBHSA-N 411.466 1.587 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1740961320 UCYTTZUVPWGLRE-MRXNPFEDSA-N 415.473 1.682 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)N2CCCC2)C1 1740979860 LRWWEHJZVCKOAX-KZNAEPCWSA-N 402.543 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740992726 TUSXYLRJXWEIBP-AWEZNQCLSA-N 418.585 1.091 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1741294067 NHXCRSVTXDZHAI-JOCHJYFZSA-N 421.505 1.305 30 10 HDEE CCNC(=O)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1746503737 WGYUJKWMUUJQPQ-ZWKOTPCHSA-N 410.478 1.656 30 10 HDEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1747509852 AAIPEOFBNXLVOT-KRWDZBQOSA-N 414.535 1.911 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H](C)CC#N 1748268883 BUGBOSUAZTWWPR-NSHDSACASA-N 408.304 1.921 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1748748498 YQNFQYYJBMETJC-CYBMUJFWSA-N 405.480 1.043 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1748770634 CTCGGZZXIRQDEH-NSHDSACASA-N 416.429 1.420 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1748848347 BTGCAIUKJFZSBL-FQEVSTJZSA-N 419.529 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(O)(CC)CC)CC1 1749011068 ZTQJVLGOQOZJAO-QGZVFWFLSA-N 403.527 1.299 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)NS(C)(=O)=O 1749141356 YSZCCSVBOFPNHF-GUTXKFCHSA-N 409.516 1.347 30 10 HDEE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749608803 CUVOZFPTPJRQPM-OAQYLSRUSA-N 411.510 1.536 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC(C)(C)C)C1 1749697111 HLYHGYNXTGWWAR-HUUCEWRRSA-N 415.560 1.485 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1749766710 ORJSAFOAQAWDCC-PMPSAXMXSA-N 409.556 1.588 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCOC[C@H]1C 1751200487 AMDGGMUNUUSDBG-HLLBOEOZSA-N 424.571 1.691 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760173582 ADPWVABTECZKCR-ZIAGYGMSSA-N 419.576 1.879 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760181313 SDIXBXWISIGPRI-YLJYHZDGSA-N 400.504 1.047 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1760187988 MOZPLPXWYJWLGH-GOSISDBHSA-N 416.551 1.686 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1760189970 MSNGYIDFIVAPPH-MSOLQXFVSA-N 405.568 1.342 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 1760261694 ANZUYXHVQNEURP-HXUWFJFHSA-N 407.518 1.978 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1760336939 LASDHRGFEADZMR-KRWDZBQOSA-N 417.535 1.730 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1760358269 PWDXUMRJNKTEGX-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760372410 IMDIENPQODSORY-SFHVURJKSA-N 403.874 1.840 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760373330 PBRCTCDDSINIRF-HNNXBMFYSA-N 415.885 1.874 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1760427979 MSZKMQPWRQXHLX-KRWDZBQOSA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CC(C)C)C1 1760516788 VJZOMLTVPSQBAY-LSDHHAIUSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760527227 PLCCNGZRKMHKEL-IIBYNOLFSA-N 403.527 1.697 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)[C@H](C)CC 1764187028 BJVPOIMDFSYKFK-KKVAFCGZSA-N 406.531 1.722 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCC=CO2)cc1 1770738238 HEOUKOCLAPGPRE-AEFFLSMTSA-N 408.462 1.733 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H](C)O1 1770940465 IOOIKEWPCJVBNL-LPHOPBHVSA-N 415.494 1.456 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc(C)no1 1771187600 GGDSKHPKPJPHPR-UGSOOPFHSA-N 407.450 1.768 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772792985 RGHOQRHXRWCJSS-LBPRGKRZSA-N 417.443 1.734 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1849658823 YNBDXTRKFBMXCS-QGZVFWFLSA-N 402.520 1.863 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)O[C@@H]1CCN(Cc2ccc(F)cc2F)C1 1851853579 XVCHGHHBEIMRAW-CQSZACIVSA-N 404.373 1.225 30 10 HDEE Cc1nn2c(c1C(=O)OCCN1CCN(c3ncccc3C#N)CC1)OC[C@H](C)C2 1851876024 SKVGKYLGEQBTHM-OAHLLOKOSA-N 410.478 1.466 30 10 HDEE CCN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C(=O)C1=O 1852242966 CFKWYZYPYRDRNK-UHFFFAOYSA-N 405.336 1.594 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccc(C)cc4)n3[nH]2)CC1=O 1852330823 MFYFITBPPVJUQU-HZPDHXFCSA-N 420.473 1.968 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)CC2=O)cc1C#N 1853949408 ATFMKHHCXZEPSC-UHFFFAOYSA-N 415.446 1.820 30 10 HDEE CC(C)S(=O)(=O)N1CCN([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1854783252 ZRLHUPUWIFSHGO-SFHVURJKSA-N 418.519 1.045 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)C1 1854936095 XNQSCIZHSCQQAS-AEFFLSMTSA-N 413.526 1.129 30 10 HDEE CC1(C)CC[C@H](N2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)C1=O 1854950362 UUMDUCDNVYAIMI-OALUTQOASA-N 408.502 1.675 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1855642998 WUFFZKDTMYUIMT-GOSISDBHSA-N 415.515 1.590 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@@H]3COc4ccccc43)CO2)cc1 1855834092 BSFFANVAVDYNML-WMLDXEAASA-N 400.412 1.582 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@H](F)CC3CCC3)C2)C1 1856386211 LZYHCHSTVGQDNN-NVXWUHKLSA-N 400.454 1.920 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)c2n1 1856540235 ITFBBSVBSIQDMB-NVXWUHKLSA-N 405.458 1.370 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1856616843 DKEJKSHBAQTORE-IEBWSBKVSA-N 404.474 1.548 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCOC4)C3=O)CC2)c1 1857015270 MHDYBFVFZINJMR-RTBURBONSA-N 412.490 1.598 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COc2ccccc2)C1=O 1857039262 PFBFDCPLOUIYAY-HNNXBMFYSA-N 413.455 1.935 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857252251 AVGHWKZLZBYHOO-SFHVURJKSA-N 421.494 1.743 30 10 HDEE Cc1noc(C)c1CN1CC[C@H](N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)C1 1857291440 LNWWLRCKGYAXLU-IBGZPJMESA-N 407.474 1.722 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862597017 KVDJHFBYMMVUMX-SFHVURJKSA-N 424.409 1.805 30 10 HDEE Cc1cc(=O)c(OCC(=O)Nc2sc3c(c2C#N)CCC3)cn1CCOCCO 1870089312 MLVDNNFTIGDBLH-UHFFFAOYSA-N 417.487 1.605 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCN(CC)CC1 1870499786 VWPDNMFJGNLBQL-UHFFFAOYSA-N 411.506 1.584 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871676845 HHZFFKVIRJDGKP-UHFFFAOYSA-N 422.917 1.818 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1 1889422602 HWIWWRMLVFQADD-UHFFFAOYSA-N 406.490 1.385 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccc(OC)cc1 1890003621 IKZDEGZFONILSF-FGZHOGPDSA-N 415.534 1.834 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 1893841522 IVGXNFVRPGLYBU-KRWDZBQOSA-N 406.504 1.586 30 10 HDEE C#CCNC(=O)CNC(=O)c1ccc(Br)cc1I 1962764500 BELROFBXCZINLM-UHFFFAOYSA-N 421.032 1.533 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1986363385 ATCPWDPEODBBAD-IHRRRGAJSA-N 410.320 1.813 30 10 HDEE CC(C)CN(C(=O)CN1C(=O)CSC1=CC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 2040787201 YAGDKBNHGOJOKN-AWEZNQCLSA-N 414.549 1.054 30 10 HDEE COC1(CCNS(=O)(=O)N2CCC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174786929 ONBVDMIGUYSLMM-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)NCC(F)(F)F)n2)OC1(C)C 2241220551 RZZZKMRVYLPZRU-UHFFFAOYSA-N 415.630 1.843 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCO)Cc3ccccc3)c2)OC1(C)C 2243437850 DBJDQRVMYPLPSN-UHFFFAOYSA-N 418.324 1.564 30 10 HDEE CC(C)(C)OC(=O)NC1(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2247828444 NTZZASLRSIURQR-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2247916303 VDIFSLYUTSIFKM-JJLQDPRZSA-N 418.303 1.304 30 10 HDEE C=C[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258158306 JNCDUNGWEDOVAM-RDJZCZTQSA-N 410.492 1.682 30 10 HDEE C#CC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258172039 XLUSSSRTIXJLIT-QGZVFWFLSA-N 408.476 1.129 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCC#CC(C)(C)C)NC(=O)OCc1ccccc1 2258172162 GYVLXPBQGXLRIJ-MRXNPFEDSA-N 410.492 1.423 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COC[C@H]3F)cc2Cl)OC1(C)C 2267706111 RKNPHCGPPCKTJS-NXEZZACHSA-N 411.713 1.716 30 10 HDEE CSCC[C@H](O)CCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282030978 MSLLOFMGQDHCID-GFCCVEGCSA-N 400.375 1.985 30 10 HDEE CC[C@H]1CNCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338543 RWARVQZRYMAURM-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE CNC[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282827256 XRXKUKIOYOBYOT-LLVKDONJSA-N 420.793 1.931 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](F)C3CNC3)cc2Cl)OC1(C)C 2282831771 DQRFRSKLHWIDRI-NSHDSACASA-N 424.756 1.537 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCSC[C@@H]1CO 2282835853 YZKSJPDCLQTCMX-LBPRGKRZSA-N 419.399 1.454 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(CN)CC3)c(Cl)c2)OC1(C)C 2282844298 BCTSUMCYXGUICL-UHFFFAOYSA-N 400.737 1.656 30 10 HDEE CC1CC(CO)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855689 IGWOWXXMEMXZMK-UHFFFAOYSA-N 401.359 1.734 30 10 HDEE C[C@H]1CC[C@@H](CN)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856507 UCOMLFKPPHVZPJ-STQMWFEESA-N 400.375 1.795 30 10 HDEE COC[C@@H]1C[C@H]1NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282875851 VGHCZWACALOWOO-QWHCGFSZSA-N 401.359 1.977 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS[C@H](C(=O)O)C2)OC1(C)C 2284398436 YBVNCMISWWJLEU-NSHDSACASA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CC[C@H](C(=O)O)C3)c2)OC1(C)C 2284410775 WNLHSPBKJVHDJF-CMPLNLGQSA-N 401.315 1.579 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(Cc2ccccc2)C1 2300229378 WBZCWYZPBNTYIZ-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@H]1CNc1cc(Br)cnc1C#N 2312322296 MNPDGILXCOZQLE-MCIONIFRSA-N 413.272 1.469 30 10 HDEE C=CC[C@@H](O)[C@@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314236693 YCRSVLKSBNSPFY-ZWKOTPCHSA-N 406.504 1.794 30 10 HDEE C=CC[C@@H](N)[C@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314263729 ALBADMNSNAPPNL-QZTJIDSGSA-N 405.520 1.760 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339652139 WGYDNGXRYYKVJN-VXGBXAGGSA-N 403.526 1.161 30 10 HDEE COc1[nH]c(=NCc2n[nH]cc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2339785506 XBVAQNWGGHNBAT-UHFFFAOYSA-N 409.093 1.909 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 2342033276 OCBDAXSKXOMDIE-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE Cc1cc(S(=O)(=O)N2CCOC[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2362001317 HIUQFZXTFATAFG-LBPRGKRZSA-N 405.322 1.715 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362503823 VGXNWCUTBGMOHO-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2365213548 VFNSTTUNQLHZLT-QKPAOTATSA-N 400.541 1.283 30 10 HDEE CC(C)(C)OC(=O)NC[C@@](C#CC1(S(C)(=O)=O)CCC1)(CF)OCC(=O)O 2367787181 JUJBXVDESLQJJO-MRXNPFEDSA-N 407.460 1.291 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819963 PZMIYHRXXWURQU-OWCLPIDISA-N 402.557 1.442 30 10 HDEE C=CCNC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11243410 CVLOJFXODKQQJD-UHFFFAOYSA-N 400.884 1.586 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2ccc(Br)cc2)CC1 22849239 LCXYXINYOXQMAT-OAHLLOKOSA-N 423.355 1.546 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)CC1 27900748 RTNBFHCTEMIKEK-JOCHJYFZSA-N 400.523 1.182 30 10 HDEE C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 31118097 HFTMFINOUXEYNJ-CJNGLKHVSA-N 412.469 1.676 30 10 HDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccn1 103119890 GIZRRFKBHAEGOL-LAFOYAEKSA-N 409.442 1.836 30 10 HDEE COCCn1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1=O 109941918 IOEGZFQPTKHDCY-QGZVFWFLSA-N 412.471 1.520 30 10 HDEE COC(=O)CCS(=O)(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 405008832 CIEKYADSLCGDIN-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE C#CCN(C[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)NCC)C(=O)OC(C)(C)C 407671817 UTHMQCXCROLNQP-DLBZAZTESA-N 401.573 1.897 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 409699983 IWAVMKSMHFUYOA-GXFFZTMASA-N 408.340 1.531 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 433491387 NXTUZTBZEVYFPR-UHFFFAOYSA-N 418.475 1.569 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 472306766 UOAJPKUWTCWPKX-CQSZACIVSA-N 422.463 1.259 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 481785850 VCSRHZRUEBWWST-SJLPKXTDSA-N 404.536 1.702 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2 483086330 IUAVLLUKSPQYGA-HRAATJIYSA-N 409.446 1.194 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](c3ccccc3)c3nc[nH]n3)C2=O)cc1 488268988 ZAWSZYQGYRUCNF-RTBURBONSA-N 415.457 1.866 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 491293466 DXFHNSWUAVFGER-UHFFFAOYSA-N 418.475 1.490 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H](C(=O)Nc2cn[nH]c2)c2ccccc2)cc1 495436222 KTTCNNUGVWCQNC-IBGZPJMESA-N 402.414 1.507 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 504068625 LBGMSHSUBZKULP-UHFFFAOYSA-N 400.523 1.756 30 10 HDEE CCOCCCNC(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505014041 OQYOSJSLPCGGKU-UHFFFAOYSA-N 400.479 1.934 30 10 HDEE COc1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc2c1OCO2 506802553 CDXYLKUVGKLVRK-UHFFFAOYSA-N 415.471 1.802 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513790552 ZMMBIYMBRDIUEF-GOSISDBHSA-N 418.563 1.351 30 10 HDEE N#C[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 514894561 KDNNWELLVJMYDW-UCIXUQDCSA-N 417.465 1.217 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 523527458 RVKJJEMXBKMJLN-UHFFFAOYSA-N 406.402 1.280 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 532816198 AZBBCAUNKYNUEA-UHFFFAOYSA-N 417.473 1.744 30 10 HDEE Cn1cc2c(n1)CCC[C@H]2C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 537311538 NLHPEVXIJDQRBO-MRXNPFEDSA-N 413.503 1.245 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 546876204 HIQSCNJJYHKDKM-UHFFFAOYSA-N 419.532 1.069 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)CCc3ccccc3[N+](=O)[O-])CC2)n1 546881649 CJMJBFFGGAQYSE-UHFFFAOYSA-N 401.448 1.556 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2)CC1 558942828 VLOYIKCPBVZQNM-HXUWFJFHSA-N 424.549 1.449 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 584141797 PPTKYDAHMKRAMU-HOCLYGCPSA-N 407.496 1.732 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4cccnc4)nn3)CC2)cc1 585486203 MNABDBHFJBBILA-UHFFFAOYSA-N 421.486 1.998 30 10 HDEE CN1C(=O)COc2ccc(N(CC#N)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc21 586230617 DKQZAENCMAQKEL-UHFFFAOYSA-N 402.388 1.669 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCCOCCC)cc21 586315083 VOSXDSAKBBBCON-LJAQVGFWSA-N 423.487 1.499 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)NCc2ccccn2)c(Cl)c1 679533639 WJVHLHAVULZHLV-UHFFFAOYSA-N 416.865 1.922 30 10 HDEE CC1(C)OB(c2cc(S(N)(=O)=O)ccc2I)OC1(C)C 694983998 BUHYZIZKBAEBFC-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE CN1CCC(C#N)(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703982212 OKCLTNMSOUQCEK-UHFFFAOYSA-N 418.519 1.216 30 10 HDEE C#CCN(C(=O)c1sc2nc(COC)nc(OC)c2c1C)[C@@H]1CCS(=O)(=O)C1 729332733 WMRKNXFXUKQCER-GFCCVEGCSA-N 423.516 1.417 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)ccc1F 731589223 UQQSNDQTACETCJ-QGZVFWFLSA-N 417.462 1.825 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732649874 BCPNLJINNDVOEN-MRXNPFEDSA-N 405.524 1.012 30 10 HDEE COCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccoc2)c1=O 732795421 GQPCZAGZBKZWET-UHFFFAOYSA-N 409.467 1.315 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C1CCS(=O)(=O)CC1 733021234 FNPMPNGJERMUMB-CQSZACIVSA-N 408.476 1.698 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 734278437 SLKZUIPBKJCJSW-UHFFFAOYSA-N 412.534 1.784 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cn1 734601974 RIUBPWKHTUWIFR-UHFFFAOYSA-N 414.443 1.533 30 10 HDEE N#C[C@@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1C1CC1 741187967 DEFQJRYJHJJEDK-MRXNPFEDSA-N 419.503 1.210 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)NC(=O)C1(C)C 745047186 VUVCCXHCSRURRG-CYBMUJFWSA-N 416.434 1.204 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NCc1ccc(C#N)cc1 746554627 KVBPEYOCCDBYIV-ZDUSSCGKSA-N 419.434 1.224 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC/C=C(/C)C(=O)OC 748163660 RSCUZNYMCNZPJL-HVCHUGMYSA-N 408.476 1.946 30 10 HDEE Cc1ccc(Cn2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2=O)cc1 754490184 GJBANSYLELCJBF-IBGZPJMESA-N 419.485 1.342 30 10 HDEE Cc1c(NC(=S)NN=Cc2cnn3cccnc23)c(=O)n(-c2ccccc2)n1C 755497834 BILXOAFDKNRWHF-UHFFFAOYSA-N 406.475 1.848 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC(O)(c3ccccc3)CC2)CC1 761037461 YBSZNKVCWFWOSQ-UHFFFAOYSA-N 400.523 1.446 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)c1cccc(C#N)c1 764038810 XCGDUGMMJPGBAY-INIZCTEOSA-N 405.432 1.644 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2OC)c1=O 765143838 BRCDZZFAABZTCL-UHFFFAOYSA-N 404.513 1.499 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnccc1CO 777443110 OPQRFFUTIOHEJX-UHFFFAOYSA-N 402.476 1.812 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 784442090 MLMGMFZRRVJCJZ-UHFFFAOYSA-N 412.439 1.470 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)CC)cc2)n1 788695513 QYBPTHCUXPAIFZ-UHFFFAOYSA-N 404.492 1.702 30 10 HDEE COc1nn(C)cc1NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 789861321 AFNMOHOHQPQAFF-ZDUSSCGKSA-N 405.480 1.521 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1c1ccc2c(c1)OCO2)c1cc[nH]n1 789975033 NOWQLMJZNCVNFD-HNNXBMFYSA-N 414.418 1.786 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 797037194 XDMMCENEKGZWIR-UHFFFAOYSA-N 422.459 1.638 30 10 HDEE C[C@@H](C(=O)OCC(=O)NCCOc1ccc(C(F)(F)F)cc1)n1cnc(C#N)n1 798743142 ZHXZIXLCTXXBSN-NSHDSACASA-N 411.340 1.468 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)=NO1 798994141 YVARBAIUKAGEGA-HNNXBMFYSA-N 414.466 1.271 30 10 HDEE Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N 799548055 DWIBJYXPBOMVEU-ZIAGYGMSSA-N 415.471 1.937 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F 804960740 WIDIMOOXFSQGRJ-SNVBAGLBSA-N 415.386 1.535 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc(O)n[nH]3)CC2)ccc1F 807973897 MUUGEDIMEJWEMV-UHFFFAOYSA-N 409.443 1.134 30 10 HDEE COc1ccc(-c2nsc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)cc1 809927611 GRZHHWGLMOYSSM-PEZBUJJGSA-N 414.447 1.862 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)ccc1C#N 810867775 DOQKUGBULGHNBZ-JOCHJYFZSA-N 404.426 1.577 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1-c1ccccc1C#N 917794163 JMJKNSLJCXZZBY-UHFFFAOYSA-N 412.430 1.569 30 10 HDEE COCCN/C(S)=C(/C(O)=C1C=CC(=NC(N)=O)C=C1)[n+]1cc(O)ccc1C 1116037115 RTNHZFURRFGIOP-UHFFFAOYSA-O 403.484 1.738 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1125561190 QHEUOPLTBAHEFL-UHFFFAOYSA-N 409.442 1.805 30 10 HDEE N#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CCCC1 1133069733 FSCAZCNHSFONPV-NVXWUHKLSA-N 417.487 1.822 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)N2CCCC[C@@H]2C)s1 1136652852 FNAIWZPTCOHPGT-KBPBESRZSA-N 413.565 1.661 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1140471716 PBGOEZIDOIFAHN-OAHLLOKOSA-N 422.503 1.650 30 10 HDEE C#CC[C@]1(C(=O)N2CCN[C@H](c3cnn(C)c3)C2)CCCN1C(=O)OC(C)(C)C 1150584787 RDBPNWJBYMINNW-LAUBAEHRSA-N 401.511 1.686 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)CCS2 1158651729 GAZMNLQZANBECD-NGEICVOHSA-N 401.488 1.622 30 10 HDEE COc1ccc(Br)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1159489327 BBVOOATTWNTIGS-UHFFFAOYSA-N 405.208 1.289 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)c1 1161458985 UJGVEYSCXPSZFI-SFHVURJKSA-N 421.515 1.629 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)c1ccc(Br)o1 1165490496 XDGABZBLEFYKSG-CYBMUJFWSA-N 406.236 1.836 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)c1 1167730655 KPXMZKKAHVKSDG-IBGZPJMESA-N 413.499 1.773 30 10 HDEE C=C[C@@H](C)ONC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1197219772 HTKOZFADOBCCBV-ZIAGYGMSSA-N 411.480 1.888 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)CCc3cccc(F)c3)C2=O)cc1 1211727149 CXYWWJNUTBRZOK-LJQANCHMSA-N 401.463 1.960 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](n3ccnn3)C2)cc1 1214686645 CUXOUNIBUISWJZ-INIZCTEOSA-N 404.496 1.954 30 10 HDEE CC(C)O[C@@]1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOC1 1251193297 ZNUZDALSLDIBAL-HXUWFJFHSA-N 403.483 1.839 30 10 HDEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1286450344 PQYQKPNQRAFJLX-UHFFFAOYSA-N 415.563 1.948 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286618646 DVBVSWBQLBKOBX-HNNXBMFYSA-N 412.922 1.290 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1286773279 MMWGRRYUCHCGDW-CYBMUJFWSA-N 405.421 1.489 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1C(C)(C)C 1286793476 FWPBSBLVXPVFAW-MRXNPFEDSA-N 401.515 1.288 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1292156978 KPZBUQODXQTEMX-KRWDZBQOSA-N 400.479 1.673 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C[C@H]2C(=O)Nc3c(Br)cccc32)CC1 1294723066 NEXRKDDJQVZQCW-GFCCVEGCSA-N 405.252 1.459 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)C(=O)OC 1297029043 BGMBWVHVIDIHJU-GFCCVEGCSA-N 401.213 1.760 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1298310513 UGRPTPWHMWWNGX-MJBXVCDLSA-N 424.523 1.643 30 10 HDEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(C)(C)C 1299634142 GISLCJXYWZFVIW-HIFRSBDPSA-N 412.560 1.689 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)CC)c1 1300333912 FWEZVTHXJTXOOW-VGSWGCGISA-N 411.506 1.999 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)CN1CCOCC1 1300440241 QGVKXDHKLSUTAV-QGZVFWFLSA-N 413.522 2.000 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491821 IXSZPEOWDSOYDP-QKPAOTATSA-N 405.524 1.073 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1300547692 AZSWDOGAYGJEDX-SFHVURJKSA-N 423.498 1.236 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1300666100 WCWVRLYRSIHVOT-MRXNPFEDSA-N 420.510 1.995 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1300671075 BGQWYGPWTZZPED-JKSUJKDBSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCc2cccc(C)n2)CC1 1300695709 GXGASHOPYFQNOC-UHFFFAOYSA-N 402.506 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)CC1 1300699891 JEVZTVQYGQMXJP-IBGZPJMESA-N 413.547 1.292 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOCC(F)(F)C(F)F)CC1 1300725705 BXEKNYZVCZBOJS-UHFFFAOYSA-N 419.423 1.723 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)(F)C1 1300733697 MDEGMBOQRZBWMR-LBPRGKRZSA-N 421.539 1.736 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1300751710 OUEJNTLYYRBMLM-GOSISDBHSA-N 413.547 1.961 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)COC)CC1 1300751735 PSMNLWIGPVBONZ-UHFFFAOYSA-N 413.547 1.915 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1300760768 GTAZUWPEBIZGPY-ZDUSSCGKSA-N 411.482 1.641 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300944258 SBVJVSOIXYSHDO-QFBILLFUSA-N 410.526 1.300 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)O 1301411394 YHEJAMDAAMSTCW-OAHLLOKOSA-N 408.524 1.779 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1301475332 QQYBODULOISMCN-SJLPKXTDSA-N 404.559 1.641 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(C)(=O)=O)C1 1301545909 NIBVCKOJVQONQC-KRWDZBQOSA-N 406.508 1.780 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(COC)CCOCC2)C1 1301554614 JPVJXDXJZPCGAN-SJORKVTESA-N 419.526 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1301578938 KUSOOXPBVKZJMQ-OAHLLOKOSA-N 421.523 1.274 30 10 HDEE COCCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1302238773 VEDFPYJVUFHQNX-BRWVUGGUSA-N 407.515 1.588 30 10 HDEE CCOC(=O)CON=C(C(=O)N=[S@](C)(=O)c1ccc(N(C)C)cc1)c1cc[nH]n1 1302269303 NAJQQJQXPAVZJE-GDLZYMKVSA-N 421.479 1.443 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1303497798 ZTDCBQQYXOEWEF-HSALFYBXSA-N 423.489 1.566 30 10 HDEE Cc1cc(C)n([C@@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)n1 1304733808 OSUUAPTULGSMKR-NHKNDPDJSA-N 424.509 1.768 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309089017 ZBWXKNNSQJEUDF-GFCCVEGCSA-N 419.322 1.685 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 1312890679 NRYOKNZMQXKTJY-UHFFFAOYSA-N 409.493 1.441 30 10 HDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cn1 1315486727 AZOGHAJOJWPWIU-QWHCGFSZSA-N 407.500 1.079 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccncc1Cl 1316101520 LWRLXSVLGBILCN-HNNXBMFYSA-N 403.874 1.692 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1320031713 ZKYQRXBDVPDSEA-JFIYKMOQSA-N 408.520 1.902 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 1320712412 BBZUBUGPRIFXIX-OAQYLSRUSA-N 423.510 1.599 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn3c(n2)C[C@H](OC)CC3)c1 1357767566 YKKRVDKBZKTKDR-LJQANCHMSA-N 422.485 1.331 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358926238 HZBJGFUNBMHORH-QGZVFWFLSA-N 418.567 1.805 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1358978781 UNGMOQKVPQTFGM-INIZCTEOSA-N 404.474 1.798 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1359035447 UMLHKEJQUHZHBQ-RTBURBONSA-N 412.538 1.823 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2ccn(C)n2)CC1 1359039183 ZAOYWGWZTQSYLX-UHFFFAOYSA-N 419.533 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 1359040188 LACLFYIVIKPFQI-NRFANRHFSA-N 403.527 1.347 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359097909 VKMYZJJJUCQVIR-DLBZAZTESA-N 420.539 1.307 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359143083 UIABOGUQXLGWSS-ZFWWWQNUSA-N 401.895 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@@H]1C 1359296840 WKLOVHXQTVORGQ-AWEZNQCLSA-N 413.478 1.980 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359301796 LFWNNHBIGFARTR-IYBDPMFKSA-N 405.405 1.011 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(OC)C1 1359334181 WBMFDQLNOZKKIS-HXUWFJFHSA-N 419.551 1.870 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)o1)S(C)(=O)=O 1440421582 GISIAIMAUJAWBW-UHFFFAOYSA-N 417.491 1.179 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NS(=O)(=O)NC)cc1 1448593075 PURBJBJPXSRVOF-HNNXBMFYSA-N 410.496 1.808 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1449091874 YPFKDYGKDUFJNC-BLGFXRMMSA-N 418.538 1.083 30 10 HDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](CO)c1ccccc1 1450103858 FGJCIBDFXHHCDY-KRWDZBQOSA-N 401.488 1.697 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)[C@H]1c1ccnn1C 1452837075 OJMVJAPWVODPOF-MSOLQXFVSA-N 407.434 1.404 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCC1(C#N)CCOCC1 1457110068 NFNQDYBRZSBRJX-ZOBORPQBSA-N 413.396 1.409 30 10 HDEE C#CCn1cc(CNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)cn1 1457786491 HGDHEAHCBAVANV-UHFFFAOYSA-N 401.430 1.600 30 10 HDEE C=CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@@H](Cc1ccccc1)C(=O)OCC 1459003785 ZHZUCSQSJKQKLT-SFHVURJKSA-N 413.478 1.169 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1464300125 IOKMXIBJCZNPQC-MSOLQXFVSA-N 424.544 1.403 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)s1 1472172775 KPUCEBHTEJWHEM-AWEZNQCLSA-N 413.521 1.102 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC1CCCC1 1472285514 ZTUIHNRAGAISPK-PBHICJAKSA-N 421.519 1.711 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1473489172 XXLPYRVBWGEFBS-FQEVSTJZSA-N 421.501 1.946 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1477409331 LRPLHUZAEASFMV-LJQANCHMSA-N 418.563 1.545 30 10 HDEE Cc1nc(CCn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n[nH]1 1492686789 LIGZBNMBBVFIDY-UHFFFAOYSA-N 406.498 1.664 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1493170200 RJKVOYISMPKDGY-VQIMIIECSA-N 424.505 1.679 30 10 HDEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1500379068 DIBGNUDLKUNPEP-LJQANCHMSA-N 403.508 1.603 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1507516721 MHPMQXSYEXCDOW-ULQDDVLXSA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507539703 XNLZFBKAPLBYAI-VGWMRTNUSA-N 413.519 1.207 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1507543167 UYHMGRQCQJMNJO-QGZVFWFLSA-N 423.521 1.138 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1507572561 NVPDPNDNYIPJQC-KRWDZBQOSA-N 421.505 1.930 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1507635215 QIGYSRHCFZXXAA-INIZCTEOSA-N 420.560 1.594 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cc(C)on1 1507644460 IKPZHGPAURWTLH-UHFFFAOYSA-N 409.471 1.766 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC(C)C)CC1 1507719822 QIIKQIGVYJJXPL-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cc(C)nn2C)CC1 1507722071 YJMHNGGKGIQFKV-UHFFFAOYSA-N 410.913 1.839 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)CN2CCOCC2)CC1 1507723671 QCERRKUGGQZJPP-IBGZPJMESA-N 423.565 1.372 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nc(C)c(C)s2)CC1 1507724528 GJTOMQZEGBPVKN-UHFFFAOYSA-N 410.551 1.750 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC[C@H]2CCCO2)CC1 1507732073 SLMKMJHYUNWQNG-RTBURBONSA-N 403.527 1.123 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCCC2)CC1 1507732997 WECBKMDSOLIKNZ-UHFFFAOYSA-N 412.513 1.847 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507843132 IHQLNGHPSPWMDK-SJORKVTESA-N 412.494 1.875 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)COC)CC1 1507857879 WAIKZBUTJCYHIG-CQSZACIVSA-N 401.895 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1508144820 HVFIPPKNUVUDAT-IKGGRYGDSA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508160512 VFRRAOOJIOTPRL-KBPBESRZSA-N 413.569 1.162 30 10 HDEE CC(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1508426754 HSEVFLGLCNLTEF-CQSZACIVSA-N 417.539 1.638 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1509801936 CSDBMKIFAQSACE-NRFANRHFSA-N 416.526 1.585 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1518638618 GBJRGJGOXHMNRG-ROUUACIJSA-N 410.478 1.195 30 10 HDEE C=CC(C)(C)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1525858406 AIMMJSHIRHJXGE-UHFFFAOYSA-N 419.503 1.903 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)s1 1528252098 FLMJOGFATLTOMC-GHMZBOCLSA-N 410.970 1.767 30 10 HDEE C=CCOc1ccc(CC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1531957504 BXURGEOSFLEYNO-UHFFFAOYSA-N 422.547 1.883 30 10 HDEE C[C@H]1Cn2nc(C(=O)NC3(C#N)CCN(C)CC3)cc2CN1C(=O)OC(C)(C)C 1535974567 NSTSQVPUTFUEFZ-AWEZNQCLSA-N 402.499 1.740 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1538976834 PXBQLMMWTGBGEU-KKSFZXQISA-N 415.494 1.686 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCC(=O)NCc1ccccc1 1539290699 KWHURGTWNBJJEW-UHFFFAOYSA-N 420.517 1.586 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@](C)(O)CCOC)CC1 1539477218 KHBBOSKLWFQHAS-OAQYLSRUSA-N 403.527 1.299 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1539700031 LHNOLNRSOKBCGS-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)c1 1540639483 RXLLZAYBZKDIMV-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1540871828 UYCVSROMQPUTCA-HXUWFJFHSA-N 424.549 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C)C1 1540904612 OAGCXMJQAXDKIA-HUUCEWRRSA-N 416.569 1.017 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541277214 BMRWSRPEYMGKIC-WMZOPIPTSA-N 415.542 1.121 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCOC 1546528771 BFBBEKPGCCQCSG-UHFFFAOYSA-N 402.474 1.841 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)N(C)C 1555092198 APZXAAIYZQIBRY-OAHLLOKOSA-N 400.483 1.940 30 10 HDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1555271338 FOXPUJOFPGESFY-KGLIPLIRSA-N 423.518 1.961 30 10 HDEE C=CCC[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OCC 1556642790 XJZJXNNLRMTPPB-GOSISDBHSA-N 408.520 1.545 30 10 HDEE Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2C)c1 1556750253 DUMJQOCQJNFVCH-MRXNPFEDSA-N 403.460 1.824 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1557204595 DSKIWNKAYRMKEP-OAQYLSRUSA-N 406.494 1.977 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@@H]2CCN(CC(F)(F)F)C2)c1 1557708180 MMSDKKGKRUXDIA-OAHLLOKOSA-N 417.453 1.697 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCCC1 1558513154 DGLXSEJBWJTEQY-OAHLLOKOSA-N 403.504 1.529 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1 1559851736 SJUNUUKJDBCOJX-NRFANRHFSA-N 403.527 1.998 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 1559984858 VIPDXCMGMPYNTL-AZUAARDMSA-N 410.474 1.884 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 1561802935 BFDWLRMONWDNQK-AAEUAGOBSA-N 403.302 1.776 30 10 HDEE CN(C)CCC[C@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1564547644 STOPIPFDYVFOHN-VQTJNVASSA-N 413.522 1.806 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCC(CC#N)CC3)CC2=O)C1 1565440557 UPTGRAUVOWHBHS-HNNXBMFYSA-N 405.499 1.542 30 10 HDEE CO[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)s1 1565630232 VMVPTOZDPPGOSV-BSHRGCEOSA-N 414.281 1.841 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)NCc1cccs1 1569560905 NDNHRMOWWNKEDF-SNVBAGLBSA-N 401.491 1.008 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1584398259 NQJJSXUVJCMGPZ-MLGOLLRUSA-N 413.927 1.968 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(C3CCN(C)CC3)C2)c1 1585750919 NNPBSOATKNOTDZ-HXUWFJFHSA-N 417.575 1.724 30 10 HDEE COC(=O)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCCC1 1585774440 IQDHHNFZGKWIDD-UHFFFAOYSA-N 407.492 1.826 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1587620494 GHKCVFAPNVSDOW-CABCVRRESA-N 401.467 1.659 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587677101 CESMRWIMSBCSLY-IKGGRYGDSA-N 403.506 1.619 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1588646843 NQBVLLNAQUTXLN-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCOC1 1588660189 RVGJMAQMPBBIRN-OAQYLSRUSA-N 400.479 1.115 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)N(C)C)CC1 1594083297 LISRJWPLISGMOF-UHFFFAOYSA-N 421.505 1.827 30 10 HDEE CONC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1594722877 AVQVRHPINUQRKT-AWEZNQCLSA-N 404.854 1.481 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1595522423 DHALAUMFJNXFFW-UHFFFAOYSA-N 411.510 1.337 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1610445480 GDNNZFWZTYTDSR-PMACEKPBSA-N 422.505 1.533 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)n1 1612493268 PPGNQXUDZRZMGV-PXNSSMCTSA-N 417.489 1.777 30 10 HDEE COC[C@@H](F)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1619610604 VFYQFBWBJGSIJX-DOTOQJQBSA-N 416.457 1.861 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1620302608 KYNDPSIOKRGJHO-RHSMWYFYSA-N 418.523 1.227 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OCC 1622506676 VKJBBUWJXZVCQC-INIZCTEOSA-N 408.476 1.490 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1622532716 FGWHEBIUVFQURO-UHFFFAOYSA-N 409.512 1.107 30 10 HDEE CN(Cc1ccn(C)n1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1627680983 ICUZVJUEEMXNOM-UHFFFAOYSA-N 401.492 1.351 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1Cl 1630049238 FCZFPXRHVHUAFE-HNNXBMFYSA-N 411.849 1.506 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O 1632394416 NSHSPGIGFPAXPG-UHFFFAOYSA-N 423.472 1.783 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 1635790355 PZZVHRZSBVCCFY-HXUWFJFHSA-N 412.515 1.794 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cc(-c2ccccc2)nn1 1637693056 JVDJYOGYRFRQKO-UHFFFAOYSA-N 424.486 1.190 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c(C)n1-c1ccc(C#N)cc1 1638773494 SMTWTAAHBOOOSY-VQTJNVASSA-N 413.499 1.994 30 10 HDEE C[C@H]1NC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)=NN(c2ccccc2)C1=O 1638906302 OXLIFENVDNOMOQ-WBVHZDCISA-N 417.473 1.695 30 10 HDEE C#CCN(CC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1639423910 XARHUTZQAHWTSP-FQEVSTJZSA-N 411.499 1.345 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1639687843 MEPGBMSZEYJRHO-XJKSGUPXSA-N 414.549 1.605 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)C1(O)CCCCC1 1640424253 RAOAZPTVOLLDCW-UHFFFAOYSA-N 401.435 1.172 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCn1ccnn1 1640538084 TXZGYTPBXJHZMM-WBVHZDCISA-N 416.507 1.288 30 10 HDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1640561069 VGKYQNARSFPVNQ-HSZRJFAPSA-N 412.405 1.625 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C)C[C@H]1CO 1641533372 CQCZVDWKMRMVOX-ZDUSSCGKSA-N 412.284 1.233 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN([C@H](C)C(=O)NCCCOC)CC2)cc1 1641727788 MRYOKYPIVVHVRE-GOSISDBHSA-N 400.523 1.155 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1642653244 LXXISPLZKFOJBO-HZPDHXFCSA-N 407.492 1.455 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCc4nnnn4CC3)C2)C1 1643034899 UAIQATKNIRQAHV-LNWMTBOKSA-N 415.498 1.281 30 10 HDEE C[C@H](CC(=O)N1CCN(C)c2ncccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1643316948 RBBBBJPSMBRHAJ-CQSZACIVSA-N 413.503 1.377 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)C1 1643888096 HXNGPFIMTBULEC-TZIWHRDSSA-N 416.485 1.716 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(c4nn[nH]n4)CC3)C2)C1 1644045167 GUXCLTXYRJVOMJ-RDYUPDBUSA-N 415.498 1.693 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)C[C@H]1CS(=O)(=O)C2 1645267827 OVPAHZMVOXSHQZ-JXFKEZNVSA-N 410.455 1.344 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCOC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1645454771 PKIKHLCGLNOCHK-MRXNPFEDSA-N 407.511 1.343 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1cncc(C#N)c1 1645983334 FXKJKTVVHZNGBZ-MRXNPFEDSA-N 422.507 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1646440212 ZXWQTFHYEYYWOH-DOXZYTNZSA-N 411.524 1.420 30 10 HDEE COC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1648403930 GQAVHLMYVMSSEG-IAGOWNOFSA-N 416.522 1.703 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 1652140325 AODGZRUGLTVRFN-KCEQMILTSA-N 421.519 1.314 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCn3c(=O)nc(O)c4ccccc43)CCO2)cc1 1652920009 UGSFZZYJVFMTRO-IBGZPJMESA-N 404.426 1.964 30 10 HDEE CCOC(=O)[C@@H](c1nc(Br)sc1C)N1CCN(C(=O)CC#N)CC1 1654491166 KIKQOEGHOVCXRF-CYBMUJFWSA-N 415.313 1.876 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1n[nH]cc1C(=O)OC 1654970341 XHSZJFXIINCHPS-INIZCTEOSA-N 421.475 1.547 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@H]1C(=O)OC 1660611782 JPHVZRXVEYJPGY-RRFJBIMHSA-N 419.503 1.913 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)C1CCOCC1 1663236254 WKUUHORDKUGEPQ-LLVKDONJSA-N 401.462 1.028 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1672061912 MXUQZCRFOBYGDM-INIZCTEOSA-N 412.533 1.192 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)NCC#C[C@H]3CCCCO3)C2=O)c(OC)c1 1672547700 GIYSUKKUWXKHHW-IEBWSBKVSA-N 415.490 1.676 30 10 HDEE C#CC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 1681000433 ISGXDRYJKZEAFT-UHFFFAOYSA-N 420.318 1.441 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@H](n4cc(CO)nn4)C3)C2=O)cc1 1681300279 FGVJURRCZRDBSB-RBUKOAKNSA-N 423.477 1.184 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1681506262 SBLWKGCMGZWSDI-IBGZPJMESA-N 411.481 1.731 30 10 HDEE C[C@H](C#N)CN(C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685135003 BHKGTMAWKHTXSY-KGLIPLIRSA-N 402.517 1.212 30 10 HDEE COc1ccc(N2C[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1687010483 VGHTWLCAIDQKDU-QGZVFWFLSA-N 420.473 1.599 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689907900 PFUCZZYUBFKKTA-HXUWFJFHSA-N 421.567 1.625 30 10 HDEE C#CCCCn1c(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1689941521 QWUBBAYWEADHRT-MJGOQNOKSA-N 400.571 1.978 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689980623 VJUVACDKAQRMDU-YESZJQIVSA-N 408.568 1.875 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1690005231 WQKBIDOJDVDDRM-UHFFFAOYSA-N 420.311 1.518 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC[C@H]2C)CC1 1690110290 FZUNBUSVZQYCKC-QZTJIDSGSA-N 416.570 1.624 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690165789 JTYVMCKLMKSJDF-UHFFFAOYSA-N 405.549 1.393 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1690346530 VYCOPKMPEBHYMF-AWEZNQCLSA-N 423.930 1.049 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690467288 RSPJHFFBUCALMY-MRXNPFEDSA-N 401.515 1.313 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690511907 FVZBDPPIHLJRJI-UHFFFAOYSA-N 417.535 1.729 30 10 HDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690733737 LXHSQEOQCPUJQD-MRXNPFEDSA-N 422.599 1.884 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1691373674 WTVVSJSEYBVMEJ-AEFFLSMTSA-N 424.505 1.462 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1705491185 ZMEWTODGEUTGMS-RNODOKPDSA-N 410.503 1.920 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C)CC1 1705538502 QXOVUMFQPRVZLS-UHFFFAOYSA-N 419.537 1.978 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1705540679 JRBDRRXENDJDTP-UHFFFAOYSA-N 401.467 1.560 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561426 TYXDFTQQAFRRCQ-KZNAEPCWSA-N 407.584 1.903 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(N)=O)C1 1705680615 DFJZONHKVBDILQ-RYUDHWBXSA-N 402.293 1.222 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)COC)CC1 1705699844 MFMBEOKIIVEVCU-HKUYNNGSSA-N 403.527 1.822 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)COC)CC1 1705702305 LHDVEBVMSSTTCI-PXNSSMCTSA-N 405.543 1.753 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 1705762888 KXZCGZSHUQRTLY-GFCCVEGCSA-N 411.450 1.971 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705903204 NSNNHFBHHILISS-QGZVFWFLSA-N 411.466 1.460 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1705911626 MOKHDHXACOFNRX-ROUUACIJSA-N 424.505 1.557 30 10 HDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1706576049 FPSLTHCMFGIPAW-UHFFFAOYSA-N 411.510 1.347 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1706743895 GSAADYBJNXLASJ-BEFAXECRSA-N 405.572 1.690 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722362584 VACZYZPMEXGKJZ-UZLBHIALSA-N 415.519 1.536 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1722382072 WPKSITONFONPBK-QGZVFWFLSA-N 404.474 1.558 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1722416649 OJUNEXOJGKWNRG-UHFFFAOYSA-N 411.506 1.792 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722431280 IYTUQOXHOCQFAP-WOJBJXKFSA-N 402.587 1.904 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)c(C)c2)CC1 1722440259 HATCSLMCFBPKKP-UHFFFAOYSA-N 410.497 1.652 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1CCOC1 1722449170 RBXNKJYOCYWUQK-OAHLLOKOSA-N 401.467 1.518 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCCOC)CC1 1722549571 RXLJBYVDAATJFC-UHFFFAOYSA-N 419.917 1.857 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722553336 OJBLOCCSBKJXPU-RXVVDRJESA-N 405.543 1.665 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1722566687 WZAOYWJQUCHCQV-LBPRGKRZSA-N 421.445 1.015 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722577342 DELWUBPVQSRYFH-QZTJIDSGSA-N 400.527 1.890 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(C)c2)C1 1722708868 FFQJIENKTCVDPX-QGZVFWFLSA-N 401.515 1.760 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc([C@H](C)O)cc2)n1 1726135791 CIQIFSPQDDUMAH-FXAWDEMLSA-N 421.505 1.970 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1 1728519275 GWDVAVCGRCKQGP-HXUWFJFHSA-N 417.535 1.849 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1729526708 BYJSZWCTWYFDJA-UHFFFAOYSA-N 403.468 1.062 30 10 HDEE CN1CCCC(C)(C)[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1729596635 DLWXBKCSGJKOJX-DLBZAZTESA-N 415.542 1.250 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N(C)C 1730322964 DHNHIYQZDXTVFH-HXUWFJFHSA-N 416.457 1.786 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625935 JFDXFEQYWXCSEL-LJQANCHMSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1 1740653517 OVJRIYYMARHWEA-UHFFFAOYSA-N 418.457 1.921 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1740776254 SKEBUAJBYVMTKX-QFIPXVFZSA-N 409.538 1.986 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1740903064 JPYUXBSZMHIPAI-UHFFFAOYSA-N 424.431 1.944 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1740904626 QPQVKOMIQGWCKF-UHFFFAOYSA-N 405.886 1.992 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1740946285 GOQBUKFXHSRVQY-KSZLIROESA-N 401.559 1.410 30 10 HDEE Cc1cccc(O[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1742145574 AXYKQSVOPMMGMM-MJGOQNOKSA-N 424.505 1.905 30 10 HDEE CC[C@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1744252525 LKYVGSZLQBUITK-TXSJJRPESA-N 400.483 1.687 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1747410160 KMINLRYHLYHLNS-UHFFFAOYSA-N 419.507 1.125 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1C 1748344549 IDBMFJFZDHFFQW-AWEZNQCLSA-N 421.465 1.270 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCNS(C)(=O)=O 1748658835 YKMQQQIWJFCKLN-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1748843397 CWZMUOTVDXDCIA-MRXNPFEDSA-N 417.473 1.246 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1748847336 SFCGTVSKNKNXIZ-GOEBONIOSA-N 417.560 1.822 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1749023977 BHNSLMJFGNKICT-AWEZNQCLSA-N 415.519 1.640 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)F 1749051834 ZUOMOAOQMXRYLU-OAHLLOKOSA-N 407.421 1.888 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1749465470 UATQIGHITKHOPI-AWEZNQCLSA-N 422.559 1.071 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(O)cc2C1 1749677502 BADZRNNIVWSDGM-UHFFFAOYSA-N 421.505 1.710 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749741113 PWUJIWJRXKWHEC-FQEVSTJZSA-N 420.583 1.975 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1750138790 CDKYWMHDSIILLP-AUSJPIAWSA-N 420.489 1.490 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCOC2)cs1 1751775410 WCWBLROQKBLJPB-LJQANCHMSA-N 402.524 1.915 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760193031 RMHDYSYGCRLION-ULQDDVLXSA-N 410.540 1.114 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCNS(C)(=O)=O 1760214480 QLKXRXDKLCFPRT-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1760227879 OVDXZVNTGZVVDI-KNQAVFIVSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1760258898 DRFJGIZRGKPVKN-IBGZPJMESA-N 400.571 1.802 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CC1 1760382650 VQLXOFMCYNFCFH-DNVCBOLYSA-N 411.572 1.986 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCC2)CC1 1760396624 GVPUUMSZUSFUBI-INIZCTEOSA-N 410.588 1.777 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760445258 FFOCIOBNXHJAKT-JXFKEZNVSA-N 407.515 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)C1 1760547008 BJVFGZBKYYTUID-JKSUJKDBSA-N 405.499 1.193 30 10 HDEE CCCNC(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1766234021 GLANBMVNSBQMLF-UHFFFAOYSA-N 423.521 1.825 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)C1CCC1 1766958534 KTFITTRTVSGUIN-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CNS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N 1767844298 GSHIZELDWMAFSW-KGLIPLIRSA-N 424.502 1.845 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1768587053 NRFPMOSXNQISQB-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1771490691 QJJDBPMIYYSLLI-DNVCBOLYSA-N 424.505 1.712 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCc2cccc(C(N)=O)c2)CCO1 1771536835 CQNMNKJJNMSRJU-LJQANCHMSA-N 417.473 1.334 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772790960 YYXQDFPPDSCCRU-UHFFFAOYSA-N 418.427 1.288 30 10 HDEE Cc1ccc(C)c(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1848836696 SPBVDFRUHJCGIH-INIZCTEOSA-N 404.474 1.665 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)[C@H]1CCN(C)C1=O 1849454714 MUBMDGNAKBPOSF-SFHVURJKSA-N 405.520 1.766 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CSC3(CCC4(CC3)OCCO4)N2C(C)=O)CC1 1851708194 NJZAFYKLWOFVRY-QGZVFWFLSA-N 409.552 1.294 30 10 HDEE C[C@@H]1C[C@H]1C(=O)Nc1c(C#N)c(Cn2cncn2)nc(=O)n1-c1ccc(Cl)cc1 1851896661 CZGOQPJVJGIPOK-BXUZGUMPSA-N 409.837 1.992 30 10 HDEE Cc1cc(C)c(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c(C)c1 1852585106 ROZSRDSEDZMFQX-GOSISDBHSA-N 418.501 1.975 30 10 HDEE C=CCN(Cc1cnnn1C)C(=O)[C@H]1CCCN(c2ccc(-c3nc(C)no3)cn2)C1 1853591906 YNIAJMIDIRIIOI-KRWDZBQOSA-N 422.493 2.000 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)c1 1853652748 XXQNYCLJCSCDKU-HXUWFJFHSA-N 408.502 1.676 30 10 HDEE Cc1cncnc1N1CCN([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1853675685 NPMRXHUPEHXRRL-IBGZPJMESA-N 404.474 1.610 30 10 HDEE CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853953337 WWSQAXBAVTVANH-UHFFFAOYSA-N 412.471 1.298 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CC(F)(F)C4)C(=O)C3)C2)c(F)c1 1854237881 LAUWCJNNUMZQRO-QGZVFWFLSA-N 420.435 1.988 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCOC2)CCN1S(=O)(=O)c1ccccc1C#N 1854454038 ZRPWJAZTKIUOGA-HNNXBMFYSA-N 405.476 1.123 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1854558587 QXMGTTWQWHQIAG-FUHWJXTLSA-N 405.520 1.719 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1854599896 VGIFJLPDTFAMHA-SFHVURJKSA-N 405.520 1.477 30 10 HDEE C[C@H]1CCCN(C(=O)CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)C1 1854634993 VLKPYOUKIWVCCB-KRWDZBQOSA-N 410.518 1.809 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)CN(CC(=O)N3CCOCC3)c3ccccc32)cc1 1854804344 UVFSRGFDRWOJOZ-UHFFFAOYSA-N 404.426 1.410 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855267312 SMYFEYQCWWRCAZ-GOSISDBHSA-N 407.536 1.966 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855718474 UQSOKBCUARMVSC-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE N#CCCN1CC(=O)N(C(=O)CS(=O)(=O)c2ccc(F)cc2)c2ccccc21 1856132646 NYKZHWFUKSNYRK-UHFFFAOYSA-N 401.419 1.893 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 1856284885 AHAJXFODOTXWBV-LLVKDONJSA-N 403.382 1.508 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H](N(C)CCC#N)C3=O)CC2=O)c1 1856452051 PEWJIEQOKPVPDG-QFBILLFUSA-N 412.490 1.801 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4cc(F)ccc4C3)CCC2=O)CC1=O 1856539687 DORNJQJDRIABGF-VQIMIIECSA-N 413.493 1.984 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn(C(C)C)c2)C1)[C@@H]1CCN(C)C1=O 1857053761 VJTKRLHSGCQMPZ-FUHWJXTLSA-N 401.511 1.562 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CC3CCC(=O)CC3)C2=O)CC1 1857065914 CFRYKTHRDWVKAH-IBGZPJMESA-N 409.490 1.352 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cn(-c4ccncc4)nn3)C1)CC2 1857213720 UGHPVKYEAFBLGO-CVEARBPZSA-N 405.462 1.277 30 10 HDEE CC(C)(NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868796195 RNUTYGLBCPUYPA-KRWDZBQOSA-N 418.563 1.903 30 10 HDEE CCOC(=O)N1CCN(CC(=O)[C@@H](C#N)c2nc(CC)c(C(=O)OC)s2)CC1 1872796251 RNNVBOJZKSYWPM-GFCCVEGCSA-N 408.480 1.442 30 10 HDEE CC#CCN(CC(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O)C(=O)OC(C)(C)C 1900638303 RWJJMBTXBXSXCN-GOSISDBHSA-N 417.506 1.948 30 10 HDEE CN=C(NCCN1C(=O)c2ccccc2C1=O)NC1CN(C(=O)OC(C)(C)C)C1 1923835060 KOFPPGFESSLDEE-UHFFFAOYSA-N 401.467 1.067 30 10 HDEE N#CC12COC(CNS(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)(C1)C2 2041588951 GTXMDASGMHALDC-UHFFFAOYSA-N 403.460 1.055 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 2044239324 HFHFOCKIWMRTOR-CALCHBBNSA-N 400.460 1.876 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C1CC1 2076044038 XXXIZAYWMBYNQZ-YWZLYKJASA-N 406.479 1.980 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2082045390 ZZWZGJOGRIVILP-RTBURBONSA-N 412.483 1.505 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2118162409 HGRPZSPJRGRZBW-VDBVYFBLSA-N 406.530 1.184 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cc1 2118165748 FHXHIAMSHOCBPI-MOPGFXCFSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118170475 QZLQGXRGRKJWHA-KGLIPLIRSA-N 404.558 1.409 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)O)s2)[C@H](C#N)C1 2162600977 UWYKYGZKXSPFSV-LLVKDONJSA-N 415.493 1.509 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CCC#N)C(C)(C)C)C1 2181050626 UBQBIGLLAYOVLB-AWEZNQCLSA-N 401.529 1.951 30 10 HDEE CC(C)[S@](=O)(=NS(=O)(=O)N1CC(C#N)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2183209699 NJRJDKQMEFYISL-IYJVBRSBSA-N 420.557 1.572 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@]1(CO)C[C@@H]1C(F)(F)F)C(F)(F)F 2192586651 ZYPUARYWDVPIIO-HQLVHBAOSA-N 404.229 1.663 30 10 HDEE CCS(=O)(=O)CNC(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2233878086 CQORCWHMNOQHSI-UHFFFAOYSA-N 402.347 1.547 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243381928 NZAQWSYCITXFOO-AJNGGQMLSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243716040 HTSBAORTUGQLPM-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCC(=CB3OC(C)(C)C(C)(C)O3)C2)C1 2248404789 NEQGJFIKBHWSIR-UHFFFAOYSA-N 421.347 1.985 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248433726 PDIYMDXVZWCZBD-CYBMUJFWSA-N 421.303 1.453 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2255950834 VDBRWPQKMKJZAZ-ZDUSSCGKSA-N 415.342 1.621 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2258158328 JZISXULLMDEEKY-DLBZAZTESA-N 408.476 1.335 30 10 HDEE C[S@@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267465780 YWDASHWNJXROAT-XMMPIXPASA-N 407.750 1.296 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@H](CO)CO3)c2Cl)OC1(C)C 2281939209 VZPWSYVKXRNPQG-MNOVXSKESA-N 401.721 1.828 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)CCCS(C)(=O)=O 2281947373 UEUJGHZDUWUPQZ-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](C)CS(C)(=O)=O 2281961705 PSZIOYLXNLOUCI-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC(S(C)(=O)=O)C1 2282021423 MCXBAQKSTJUSAT-UHFFFAOYSA-N 400.331 1.090 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2282328671 AWJUHNXPWCQLLC-INIZCTEOSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)OC1(C)C 2282338388 QXRNPCZYNHQTGE-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CC[C@@H](N)CC2)OC1(C)C 2282414670 WGBSFJZCDDPIKA-BETUJISGSA-N 400.375 1.843 30 10 HDEE CC1(CO)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282424970 JETSYQKWEIREBY-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H](C(F)F)C2CC2)OC1(C)C 2282492193 OAJNXZBXUKFHLK-LLVKDONJSA-N 408.301 1.905 30 10 HDEE CC(C)N(CCCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505161 ZOSDSBBTEHXBAL-UHFFFAOYSA-N 403.375 1.970 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282519471 KYLDOLHNDBRGQH-NSHDSACASA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)C3CC3)c(Cl)c2)OC1(C)C 2282833098 VAYMEWPBLIYEGQ-CQSZACIVSA-N 401.721 1.688 30 10 HDEE C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282843832 SUINNBXMRQLUCX-GXTWGEPZSA-N 400.375 1.607 30 10 HDEE C[C@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393396 KGKXSELKWMGWNJ-MWLCHTKSSA-N 419.355 1.584 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]1C(=O)O 2284406046 SVIGXFWUDRIXEN-DCAQKATOSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CC[C@@H]2CC(=O)O)OC1(C)C 2284414991 VCKMHJBQEJKNDT-ZYHUDNBSSA-N 401.315 1.579 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2290402938 ILHWQXCMBGGCMK-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccs2)CC1=O 2327842657 XHDUCTKYEWJWJI-NSHDSACASA-N 406.537 1.914 30 10 HDEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)c(O)c1 2331570964 RVQUHQXIJFKUJG-UHFFFAOYSA-N 417.447 1.719 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)C(=O)N1CCN(C(C)(C)C#N)CC1 2360587399 VMQMAYCKUNZNLF-AWEZNQCLSA-N 400.460 1.949 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2361671418 WDLSXDQDUGLXQC-QWHCGFSZSA-N 400.375 1.840 30 10 HDEE CC(C)(C)OC(=O)NC1C[C@H]2COC[C@@H](C1)C2(O)C#CC(C)(C)S(C)(=O)=O 2365179281 NSVFEMUNDXCIDS-WWMCIYDGSA-N 401.525 1.494 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2367608405 YHYLNZZCKPBTHU-JJXSEGSLSA-N 402.557 1.585 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@](C)(COC)NC(=O)OC(C)(C)C 2367805453 BNPIIMJXFZVRNJ-CRAIPNDOSA-N 402.557 1.865 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2370665108 HCRJSZCZSFRXNK-HRLGVUPISA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2370681332 NHOLKZZPJTVZIE-ZNMIVQPWSA-N 400.541 1.291 30 10 HDEE CCc1ccc(C2=C(C)C(=O)[C@@]3(O2)C(=O)N[C@](OC)(C(=O)c2ccccc2)[C@H]3O)o1 14851583 PXIIDWGMSCTXAQ-BVSLBCMMSA-N 411.410 1.627 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2csc(CN3CCOCC3)n2)cc1 96520742 VLALDVYZUHYLAB-UHFFFAOYSA-N 424.504 1.893 30 10 HDEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109712 RZKVSPWBPAGBKT-UCQKPKSFSA-N 421.567 1.550 30 10 HDEE CC(C)Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[nH]n1 107695692 KDUWWGVPYJIIMW-UHFFFAOYSA-N 401.492 1.627 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O 161260153 XYRDYHJVSGGLKO-VIFPVBQESA-N 411.071 1.966 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 238874011 NOZSOBARGXZLPN-OAHLLOKOSA-N 401.448 1.539 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)cc2NC1=O 409637222 FVBNQCZHKUMERO-STQMWFEESA-N 422.445 1.552 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 409990889 GNIWDXXSSCVAQH-ZWNOBZJWSA-N 403.240 1.395 30 10 HDEE COc1ccnc(N2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)n1 432522386 FLMXDCXAUNZVCY-UHFFFAOYSA-N 408.462 1.814 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)Nc2ccc(N3CCCC3)nc2)n1 434441929 TUSWFZMRDXLNKP-UHFFFAOYSA-N 419.420 2.455 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446519462 AKAIUMQYHAJPIV-BXUZGUMPSA-N 408.388 1.605 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1S(=O)(=O)NCC#N 447262657 FRTXTUMULURQMK-AWEZNQCLSA-N 415.397 1.564 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2sc(C)c(Br)c2OC)CC1 463350433 JZLVCFKOGSSHGP-UHFFFAOYSA-N 416.341 1.888 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)n1cnc(C#N)n1 466378283 ZWXGGRMUFDZOMK-QMTHXVAHSA-N 403.240 1.173 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 472587031 UUDVGTULASMHBP-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE N#Cc1c(CCCNC(=O)NCCc2nnc3n2CCC3)nn(-c2ccccc2)c1N 478118316 SBNKGLFKBUREJI-UHFFFAOYSA-N 419.493 1.338 30 10 HDEE Cn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)(F)F)n1 486480261 FZYZASWYLMXHSV-OAHLLOKOSA-N 420.395 1.911 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1F 488947015 RWHDBKYPFUWKNA-UHFFFAOYSA-N 408.499 1.406 30 10 HDEE Cc1ncc(S(=O)(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C#N 489232196 MCKGPSTWRHKWSG-INIZCTEOSA-N 403.439 1.986 30 10 HDEE COc1cc(CN2CC[C@@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc(OC)c1 489560780 ADDCSNHGLCYDTD-QGZVFWFLSA-N 416.503 1.832 30 10 HDEE CC[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCN1CC(F)F 498917984 ZHIBNCJNGJBLQK-HNNXBMFYSA-N 410.469 1.165 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1=O 499421615 NPKBSKBJHBSVDX-SUMWQHHRSA-N 405.252 1.850 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 506264843 RZPYRSSINIWCRS-AWEZNQCLSA-N 424.954 1.965 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCCNS(=O)(=O)c3cccnc3)cc2)nc1 532568678 OAUFWQXIBXIDME-UHFFFAOYSA-N 423.454 1.849 30 10 HDEE COCCOc1cccc(CNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 545506679 VKBQLNNUGJYZDG-UHFFFAOYSA-N 409.490 1.417 30 10 HDEE N#Cc1c(NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)n[nH]c1C1CC1 563996306 PRHLQDKDPLQPHA-SFHVURJKSA-N 400.442 2.534 30 10 HDEE C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 598930235 JNQDCRPPUHXPQW-IEBWSBKVSA-N 421.501 1.762 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603801125 YIZCXRXBZGIUFP-CQSZACIVSA-N 403.529 1.178 30 10 HDEE CN(c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1)S(C)(=O)=O 616416379 DFCWXGQDISHUTF-UHFFFAOYSA-N 411.480 1.713 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1ccc(F)c(Cl)c1 732153487 HXBPYCMZQSRHOO-VLGSPTGOSA-N 418.816 1.624 30 10 HDEE C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(OCC(=O)NC2CC2)cc1 732699965 HGHYHSJGIYNFBW-KXBFYZLASA-N 411.506 1.787 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CN2CCCC2)CC1 733163900 REXVKHPFZPQIML-UHFFFAOYSA-N 418.563 1.840 30 10 HDEE C#CCCNC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 733246637 MLZCSQVUROROKH-OAHLLOKOSA-N 400.504 1.684 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCN3C(=O)NC4(CCCC4)C3=O)cc2C1=O 741827493 XYFVODAFBHLQHV-UHFFFAOYSA-N 411.414 1.490 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746195793 DREKQAGWLUIMFS-MEUCICPISA-N 414.487 1.752 30 10 HDEE COCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1ccnc(C#N)c1 747008863 YMSYOIOFWLRLOQ-QFIPXVFZSA-N 420.425 1.622 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cn1c(C)nnc1-c1cccc(C#N)c1 747822334 ARXUVOQCGHTPAV-BRSBDYLESA-N 409.446 1.508 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(C#N)cc1 754512752 BROCCYIBWZERBA-IIBYNOLFSA-N 407.382 1.684 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCC#Cc2ccccc2)C1=O 771242630 JEOWLOJZWGDLRB-QHCPKHFHSA-N 405.454 1.939 30 10 HDEE CC(/C=C\C1=C(C)CCCC1(C)C)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771898842 VCIBLRCUHRRNKM-QFVZLGLLSA-N 408.524 1.821 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)n1 789162855 LPNKRUBCGFCHPR-IBGZPJMESA-N 418.519 1.460 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)C(F)(F)F 789898160 BOVSIWCPASSDDG-YPMHNXCESA-N 407.414 1.179 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)ccn1 795967973 VEIPBZRPQIROLD-KRWDZBQOSA-N 415.402 1.593 30 10 HDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC1CCN(Cc2ccccc2)CC1 798744784 BXLZKYMECOYFMW-HZPDHXFCSA-N 410.478 1.423 30 10 HDEE C[C@H](Sc1ccccc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 802030557 JAJXCNRKZUOMND-LBPRGKRZSA-N 403.485 1.784 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)C1 802293315 YYTLPFMKEANISL-NXOAAHMSSA-N 422.526 1.612 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 803609428 SQMWIWRZXUIQKY-CQSZACIVSA-N 408.476 1.294 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)NCC(=O)Nc1ccccc1Br 803700255 IDHPEZCIWHDAKX-UHFFFAOYSA-N 405.248 1.710 30 10 HDEE COc1ccc(CNC(=S)NN=Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 807948900 BQLRVLROIINSIG-UHFFFAOYSA-N 412.924 1.994 30 10 HDEE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccc(C#N)cc1 1125089552 DGQDWUBHKAMXLL-OAQYLSRUSA-N 406.486 1.568 30 10 HDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1127993932 DSTKTTYARPYBGY-LJQANCHMSA-N 403.446 1.810 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1)C(N)=O 1135889350 DLIVTBFXYKJFKM-LBPRGKRZSA-N 416.532 1.267 30 10 HDEE Cn1cc(Br)c(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)n1 1141105683 WYGHQMAAZPILFV-UHFFFAOYSA-N 400.240 1.752 30 10 HDEE COC(=O)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 1146568869 AUJNCERCWIBMOT-AWEZNQCLSA-N 421.519 1.838 30 10 HDEE Cn1ncc2c1CC(C)(C)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1149353487 XJSPJWOXQASWGH-UHFFFAOYSA-N 415.519 1.837 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC([C@@]4(C)COC(=O)N4)CC3)CC2)o1 1155592640 ZOGBOGHFOVZUFD-HXUWFJFHSA-N 401.467 1.808 30 10 HDEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1161578708 ROAZXZSVDVETBX-HNNXBMFYSA-N 411.524 1.790 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(Cl)ccc2Br)c(=O)nc1O 1163090714 AQENYDITJQWYDY-UHFFFAOYSA-N 411.643 1.943 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)/C=C\c1ccccc1 1165508112 KVYGXCLFCCGFJX-QINSGFPZSA-N 406.504 1.770 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc(CC(C)C)cc2)CC1 1175515239 UFSDADYUHUZYJG-UHFFFAOYSA-N 419.547 1.460 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1184169210 WOBSOSSDEXPWLO-WOJBJXKFSA-N 420.469 1.702 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1194897289 URZMTIATDJHPDW-LSDHHAIUSA-N 420.528 1.440 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2=O)cc1 1226112024 LWRVGAXQSLJZDK-MOPGFXCFSA-N 424.505 1.643 30 10 HDEE C[C@]12CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1226112299 OTZRIVVLDZDAJV-XAUMDUMWSA-N 416.503 1.130 30 10 HDEE C=CCNC(=O)CN1CCC([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1271440069 WUQINBFXABIJLC-YENHRIDLSA-N 401.551 1.663 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1286275645 SZWSCSKGJSWVOD-ZDUSSCGKSA-N 402.886 1.408 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286340060 VIWDXLMUPIXPGL-GOSISDBHSA-N 412.519 1.748 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)C1CC1 1286363485 SMMDQACPRWSECH-HXUWFJFHSA-N 416.551 1.777 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1286460490 NVRZMLOSWSXNMC-SFHVURJKSA-N 408.506 1.623 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CC[C@@]3(CCOC3)O2)n1 1286469050 CNLKUAARDICXQA-CTNGQTDRSA-N 414.510 1.407 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@H](O)C1 1286469617 WJVVRQIJDNXHPU-MOPGFXCFSA-N 400.527 1.777 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cc(C)nn2C)CC1 1286474024 XFDNTWGPZVUWHN-UHFFFAOYSA-N 420.477 1.699 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1286506931 QVCXKPIUUDSFIF-MRXNPFEDSA-N 421.567 1.270 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1286512429 UKVAHXAKRSUHMQ-UHFFFAOYSA-N 401.540 1.208 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286793812 MMKWBFVLCYCRHQ-HNAYVOBHSA-N 409.556 1.563 30 10 HDEE CC(C)CCN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1287579500 GRFWNSWWVSOCIQ-HTXNQAPBSA-N 412.498 1.687 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC(=O)N1C 1291223941 PBTKKLVSJQAIJH-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3oc(O)nc3n2)c1 1291629859 WPBBOZRZSVFDQH-PXLXIMEGSA-N 415.431 1.994 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C#N)o2)C1 1296326842 NFAQGUWOVNPXKE-BBRMVZONSA-N 406.512 1.823 30 10 HDEE CCSc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1297838960 DRSFUERLEFFLKX-GJZGRUSLSA-N 413.507 1.513 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1OC 1299712197 ADIHKZLPTSLCTO-HNNXBMFYSA-N 405.451 1.488 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)c1 1299964560 MWGPDHPZNLNRPY-KRWDZBQOSA-N 403.504 1.707 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300491817 IXSZPEOWDSOYDP-CAOSSQGBSA-N 405.524 1.073 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1cn(C2COC2)nn1 1300786862 IFKIWBCWYGQCHR-MGPUTAFESA-N 415.498 1.205 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1300971802 GEPARONLTCNTSZ-KGLIPLIRSA-N 421.514 1.963 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301154424 RNUFJOWCZYSPTM-UHFFFAOYSA-N 418.567 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1301492252 BVTHYHDUMWNRTB-QFIPXVFZSA-N 419.489 1.497 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)CC1 1301500380 LXQOFXUDILQZFO-CQSZACIVSA-N 416.448 1.506 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1301502856 QMJIFBZIRXZRAC-CALCHBBNSA-N 404.559 1.468 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1301604239 PNZOERWANCADST-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1301797644 LUNKUHZHCCWRDL-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1302364039 SHUOATOHFJSSMW-XMSQKQJNSA-N 408.506 1.962 30 10 HDEE N#Cc1cccc(ONC(=O)CNS(=O)(=O)c2cccc(Br)c2)c1 1302371824 NYFLXZIXGWSKCP-UHFFFAOYSA-N 410.249 1.709 30 10 HDEE C#CC1(O)CN(CC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)C1 1308136451 LCBRNLCQJGABCY-UHFFFAOYSA-N 423.535 1.123 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1312672372 ZIMWSTVUHZJGDS-NSHDSACASA-N 408.307 1.609 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncc(C(F)(F)F)cn1 1312729805 AZWGLILQVNLYFB-LLVKDONJSA-N 406.372 1.577 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1316351164 JMSVNIQXVFIVPW-PBHICJAKSA-N 415.491 1.023 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1358870121 GFZZMYCNANJWOF-VBKZILBWSA-N 417.897 1.471 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358909966 YDDJMFVXFGWHAT-UHFFFAOYSA-N 423.521 1.014 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358960952 PCILGFOLQJLDHQ-HZPDHXFCSA-N 402.524 1.351 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358963905 PRGOXPXBQWQHDL-SJORKVTESA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccc(F)cc1 1358992525 NXXMUROCIXWKKT-XMSQKQJNSA-N 409.465 1.739 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1359007697 SCBCSJPLZMBWGZ-UHFFFAOYSA-N 419.507 1.290 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C(=O)NCC)cc2)CC1 1359039802 WQDIQWAGKSMILF-UHFFFAOYSA-N 410.522 1.368 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359133281 OLHKEGVFOCRBEN-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359226540 HQRLPMYPEOTODG-HNNXBMFYSA-N 400.483 1.031 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H](C)C1CCC1 1359301429 YOBPVRSLTMAHII-HOCLYGCPSA-N 409.556 1.497 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1359470767 FKHDTOQTAIOWAY-OAHLLOKOSA-N 422.493 1.800 30 10 HDEE CC(C)(C)C(=O)NCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359494103 LGQJCRWYSWQGJZ-UHFFFAOYSA-N 423.521 1.928 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(-c3ccc(Cl)s3)nc2)C1=O 1437054091 XMNBVNRFEDMKFF-UHFFFAOYSA-N 405.823 1.774 30 10 HDEE CCC[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1448557885 ULDMXAIDQKUSOP-DOTOQJQBSA-N 414.462 1.859 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C(=O)C3CC3)C2)C1 1451710983 LRTROKUOHIQENZ-UHFFFAOYSA-N 403.280 1.795 30 10 HDEE C=CCNc1ncc(C(=O)N2NC(=O)C[C@]23CCN(C(=O)OC(C)(C)C)C3)s1 1453049434 MEILYNRMQRANJM-SFHVURJKSA-N 407.496 1.998 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 1466632108 IAADGBZLBLEFLH-INIZCTEOSA-N 406.439 1.119 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c(=O)nc1O 1467423782 AXWKSYJFUJBFFQ-UHFFFAOYSA-N 421.816 1.478 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(F)n3)CC2)c1 1468275166 QECDKPXRJJOPKC-UHFFFAOYSA-N 402.451 1.095 30 10 HDEE C#CCN(C(=O)NCCN1C(=O)CCC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1468861443 HLCJZIZCWCPVHT-UHFFFAOYSA-N 406.483 1.180 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1471336808 NICUEJOXPLWAFD-MRXNPFEDSA-N 408.462 1.735 30 10 HDEE COc1cc2c(cc1OC)C1(CCC1)N(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1471909375 WSNCKUZKBOIWOP-UHFFFAOYSA-N 424.457 1.692 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1472162943 SADPDXVCCNJHNF-PEZLKRJXSA-N 424.457 1.467 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(c2nccn3nc(C)cc23)C1 1472388300 LJWHMCYFJVDFEH-INIZCTEOSA-N 412.494 1.649 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1)C1CCOCC1 1479007705 MTKOJIOVVPDMAV-HXUWFJFHSA-N 412.534 1.998 30 10 HDEE CC[C@@H]1CCCCN1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1499462193 AROWFBJLQYZGOG-IAGOWNOFSA-N 403.531 1.410 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCSC2)CCOC1 1502727914 DSRDYVAKPUCADW-TXPKVOOTSA-N 407.540 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1507534445 TUFHBVLWFXIABG-JTQLQIEISA-N 412.372 1.142 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1507573629 IUOBPEIHLJGVPY-WMZOPIPTSA-N 417.535 1.880 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1507611967 SZWCPNMNLZGHCF-UHFFFAOYSA-N 401.434 1.442 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507623726 WFWNJRWYQXALQT-GOSISDBHSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1507677785 KAXVYOSVQIAPTK-UHFFFAOYSA-N 402.886 1.409 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1507678674 BLIOHPPUKFCJPU-CXAGYDPISA-N 411.553 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2OCC[C@H]2C)CC1 1507738036 IHUDWJZXBOYRRK-CRAIPNDOSA-N 411.510 1.069 30 10 HDEE C#CCSCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1507758114 JGTDGWWMBYTFCQ-FQEVSTJZSA-N 422.551 1.686 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1507854438 OQVZCPAEFLQKQE-LBPRGKRZSA-N 413.935 1.543 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507864900 HEKGLHFTPFBKOL-ZTFGCOKTSA-N 422.961 1.523 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccsc1 1508041958 WQEUSYXFWVHYRW-KXBFYZLASA-N 405.524 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)[C@H](C)C1 1508081678 MMHFZIRALUSCPX-MRXNPFEDSA-N 416.501 1.543 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(OCCN2CCCC2)CC1 1508085889 IKAZCIPXZCUBNK-UHFFFAOYSA-N 402.543 1.539 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1508417627 IJZMJFMNXRULFU-CZUORRHYSA-N 405.466 1.658 30 10 HDEE Cn1cc(-c2nnc(N3CCC(F)(F)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1517367243 DJSHVKCYTQCUHM-JQIJEIRASA-N 418.408 1.050 30 10 HDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1518896034 GZYUPYADVNHWRS-UHFFFAOYSA-N 422.493 1.768 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3[C@@H]3CCCO3)CC2=O)cc1Cl 1525577182 HHAPZPHTMSAUFW-OLMNPRSZSA-N 403.866 1.971 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)nn1 1529265053 QXIDGQWRLSQMSL-INIZCTEOSA-N 403.508 1.490 30 10 HDEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1531661266 PKEGVBWEIBJUPB-KRWDZBQOSA-N 422.503 1.948 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1532030208 ZCILFERZDJBKNW-UHFFFAOYSA-N 406.504 1.805 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)c1 1536467985 USHCDPYOQUWRFM-WLGNDBIMSA-N 421.375 1.830 30 10 HDEE C#CCN(C(=O)[C@@H]1CSCC(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1538199085 OTCKSFZQFXOOPM-KBPBESRZSA-N 409.305 1.966 30 10 HDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1539110854 HKMCYRBLFNRLLC-UHFFFAOYSA-N 405.499 1.969 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539231283 QPIPOSPLZKQRRU-ZDUSSCGKSA-N 408.446 1.784 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)C 1539315485 OKNFFKXPIURUIA-UHFFFAOYSA-N 410.478 1.383 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)[C@H](C)CCC 1539555749 APXHIWOEPLDSIP-VWKPWSFCSA-N 400.527 1.774 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539613028 SPHLNKMIQUAAMJ-JYJNAYRXSA-N 404.515 1.064 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539917850 GUPUIKIVJCTJFC-LSDHHAIUSA-N 409.556 1.845 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1540857278 MPHVVYDNPFVXQN-HNNXBMFYSA-N 412.498 1.321 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1540906824 CSZGLXGDMKCCFX-UHFFFAOYSA-N 417.539 1.481 30 10 HDEE CC(=O)NCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1541067024 BYJQPTGYLZAVRU-KRWDZBQOSA-N 411.466 1.095 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H]1COCCO1 1543346084 POYXVPAEWUQXAT-FUHWJXTLSA-N 401.463 1.924 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccnn3-c3ccccn3)C2=O)cc1 1544186525 MVLQTUZYIDQTSK-INIZCTEOSA-N 415.413 1.983 30 10 HDEE Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)C2 1544572688 VGCXHKMHVJSLIB-IVZQSRNASA-N 405.458 1.866 30 10 HDEE C#CCN(CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)OCC)C1)C(=O)OC(C)(C)C 1544845929 OUJMQQDUVKKEEM-INIZCTEOSA-N 423.510 1.117 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)C1 1555815135 JFCWSCQLWVOEBX-CYBMUJFWSA-N 404.496 1.434 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(F)(F)C1 1556022495 IHBRPINVZPFPFS-HRZQKCLFSA-N 408.409 1.154 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-c2cnc[nH]2)cc1 1557202672 YPSWBFFKLHISDY-UHFFFAOYSA-N 409.471 1.822 30 10 HDEE CC(C)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](O)c1ccc(Cl)cc1 1557671669 LDQFUWAHTSFGSC-IRXDYDNUSA-N 404.854 1.738 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@](C)(C(=O)OCC)C2)CCCN1C(=O)OC(C)(C)C 1558003722 MDIBVELISVFKTP-LEWJYISDSA-N 408.495 1.960 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(=O)OC 1568155050 XPNWNDRMHRPEIY-OAHLLOKOSA-N 403.460 1.798 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1570221337 LECRHVHTHHQCQY-CQSZACIVSA-N 414.462 1.571 30 10 HDEE C#CCN(CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1583559446 ZPNGFFAKZBEVNN-HOTGVXAUSA-N 414.524 1.051 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(C)(=O)=O)c(OC)cc1N 1584754140 BGZUVSSJXJMBDW-UHFFFAOYSA-N 417.487 1.841 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1586784414 YMEAEOYIFGKQMZ-HNNXBMFYSA-N 408.495 1.370 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1587568683 RNWFLWAZCWZTRF-LAUBAEHRSA-N 419.526 1.026 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1587855802 BLSSLNSMPLVROT-INIZCTEOSA-N 421.567 1.479 30 10 HDEE C#CCCCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1587894749 ZHDBJFXQMHOFEA-JOCHJYFZSA-N 415.538 1.839 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588065133 VAFQBINMZHFCOX-NXHRZFHOSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC2CC2)c1 1588159197 RYHBVTZGPUGVDH-UHFFFAOYSA-N 418.501 1.705 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1 1588774851 HZMDLRGWPAALOR-NSHDSACASA-N 400.325 1.148 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCn2cc(Cl)cn2)CC1 1588885831 ZTBXUSGKKSCYAJ-UHFFFAOYSA-N 403.918 1.917 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1594247088 GOIYNNCRCZDDNT-KRWDZBQOSA-N 409.494 1.655 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(F)(F)F)CC1 1595466436 JAUXEOWVJDIPJP-UHFFFAOYSA-N 414.432 1.595 30 10 HDEE CC(C)C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1Cc2ccccc2C1=O 1607497806 MVJFNMNJICWFLP-GOSISDBHSA-N 421.457 1.275 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1607851680 HKIOHVULHAOXJC-OAHLLOKOSA-N 418.494 1.649 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1610445492 GDNNZFWZTYTDSR-VQTJNVASSA-N 422.505 1.533 30 10 HDEE C[C@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781271 RNLMHGDSSOWHCJ-OKILXGFUSA-N 404.467 1.013 30 10 HDEE CCOCc1nnc(N2C[C@H](C)S[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616736423 JTSCRRNEGGGZSO-IKZORZIJSA-N 420.539 1.671 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)C1=O 1618022746 WNXCMILVXHQYPO-CVEARBPZSA-N 407.511 1.648 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1619712120 GXFOQBLZNQIWTN-KRWDZBQOSA-N 422.493 1.464 30 10 HDEE C#CCOc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1623835548 TZSRUXAPULOJHN-SHYRYGCCSA-N 405.476 1.031 30 10 HDEE CN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)NC1=O 1630687376 RKENVOALFXPSNU-JJTVEENBSA-N 407.496 1.242 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCOCC1 1633418140 MFJHHBPGSDYMHW-HKUYNNGSSA-N 406.504 1.302 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCC(O)(c3nn[nH]n3)CC2)s1 1633895395 BZJICXWBMGKKHQ-UHFFFAOYSA-N 414.944 1.862 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)C(=O)OC 1634064084 XKHVVIWOCYKGRG-GJZGRUSLSA-N 412.483 1.263 30 10 HDEE COCCCn1cc(C)c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 1635878981 LUYGQRDBNOFORX-CQSZACIVSA-N 405.480 1.405 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CCN2C(=O)CCNC2=S)CC1 1638999833 LENXKAUMUTYSGM-UHFFFAOYSA-N 401.492 1.256 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(N3C(=O)CCC3=O)c2)cc1 1640640129 QJTZRUKRKUKBTP-UHFFFAOYSA-N 412.427 1.129 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 1640698358 OXCGENHWRJHVMA-SJLPKXTDSA-N 415.519 1.672 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1640895836 CUCNNMXLOWECSY-CVEARBPZSA-N 410.492 1.366 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c1 1643236696 FDDQXDIPJGVUPF-FQEVSTJZSA-N 404.470 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C#Cc2ccccc2)C1 1645081828 SZFZYIJEKMAARH-QGZVFWFLSA-N 406.504 1.579 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)ccc1F 1645201297 OIQDBKSUGOZFHC-HNNXBMFYSA-N 412.483 1.436 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)C1 1645738029 UDDRJDFFLQNTMS-ZWKOTPCHSA-N 418.490 1.833 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1CC1CCOCC1 1648372599 PZICQEOAKLDCQT-QAPCUYQASA-N 421.519 1.269 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)n(-c2cccc(F)c2)c1C 1648637567 AFXVWJGZKZUGRM-DLBZAZTESA-N 414.481 1.966 30 10 HDEE N#Cc1cnc(N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 1651701790 DOCUENHXOIWUET-MRXNPFEDSA-N 400.826 1.863 30 10 HDEE CN(C[C@@H](O)CC1(C#N)CCOCC1)[C@@H](C(N)=O)c1cccc(Br)c1 1653074804 OAHIKNHEGFTLOA-JKSUJKDBSA-N 410.312 1.979 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1655107429 NEUAVHZYSBKDAK-LBPRGKRZSA-N 406.298 1.527 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C)C4(CCCCC4)C3)CC2)o1 1658706289 FGPRVAOLVOZQOL-UHFFFAOYSA-N 400.527 1.454 30 10 HDEE Cn1ncc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)c1Br 1661642157 GKNICXMDBJMBKU-UHFFFAOYSA-N 410.297 1.824 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 1668498232 CKTOLZMUYJJFIB-DTWKUNHWSA-N 409.390 1.466 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2F)CC1 1670102589 JWKAMODJAJIXJE-UHFFFAOYSA-N 424.498 1.971 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1670155961 BKCYPHSFZQCGHH-MRXNPFEDSA-N 414.549 1.222 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCOC[C@@H]2CC)cc1 1673399166 ZZLJMIHWVWVRPD-KRWDZBQOSA-N 410.540 1.725 30 10 HDEE CC#CCN(C)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1680964555 VJCHRJUFJNATQX-UHFFFAOYSA-N 402.314 1.701 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1681226124 BZBXQCZFGMCWIW-IRXDYDNUSA-N 416.478 1.960 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@]2(CO)CCc3ccccc32)C1 1681435723 YYIVXEIQIMYYKZ-CECAUBDESA-N 414.506 1.921 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3Cc4ccccc4NC3=O)C2=O)cc1 1681515106 FQLXHOHEFHZWLM-OALUTQOASA-N 403.442 1.916 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)N[C@@H]1CCO[C@]3(CCS(=O)(=O)C3)C1)C2 1685883363 KOLRQYHQQMFXAV-YLJYHZDGSA-N 403.504 1.557 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCC2(C#N)CCOCC2)C1=O 1687388940 NNIMDPNBHUNJFV-OAHLLOKOSA-N 408.499 1.329 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1689868372 FHHBFLNHPFVYTD-VYDXJSESSA-N 417.535 1.952 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689884520 YLIVIUHASJYADR-JOCHJYFZSA-N 421.505 1.958 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1689942877 GFXJHDPXZCDYKA-IAGOWNOFSA-N 402.543 1.471 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCc2nccn2C1 1689951094 LWYISXJRYVYXKV-INIZCTEOSA-N 424.530 1.877 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1690058094 OGYMWBWUKXOOJX-UHFFFAOYSA-N 418.523 1.156 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1690077396 NXCXRUQIINRWAX-UHFFFAOYSA-N 410.526 1.390 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1690106512 YXFNHCCKZPMDAP-XMSQKQJNSA-N 414.506 1.791 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690254518 CEOMBYQLMHLHEQ-NXOAAHMSSA-N 410.540 1.734 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690311103 CQYVISMAGNXQNW-OWCLPIDISA-N 400.545 1.633 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690489784 CBNFOTCJIOCXPW-SFHVURJKSA-N 413.526 1.777 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnnn2C)C1 1690684481 GPPLKFUAAZSJNR-MRXNPFEDSA-N 402.503 1.155 30 10 HDEE CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CC1 1695873077 GEUIGWCUHBTRAT-ZWKOTPCHSA-N 416.574 1.165 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(CN(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705561969 WIGYBVFRXKFGOR-IBGZPJMESA-N 401.536 1.323 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1705581208 WDVSJGXUQBGCFH-UHFFFAOYSA-N 424.486 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCOC1 1705592979 AKZGLSQWZUUPAP-GOSISDBHSA-N 416.489 1.810 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccc(CO)c2)CC1 1705641192 WGCNVVULNRCQCH-UHFFFAOYSA-N 422.558 1.930 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705642821 INMFZQXZDRNWJT-WOJBJXKFSA-N 402.587 1.938 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705830745 WUGZEZKYPQDJMM-UXHICEINSA-N 419.570 1.923 30 10 HDEE Cc1nccnc1CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1707794247 SFMHHAWRFAGWRH-CYBMUJFWSA-N 408.466 1.943 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CCO1 1711360357 GTBIKSAWQVANMQ-ZWKOTPCHSA-N 412.494 1.439 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1722341287 CJZOOGNGUZEUDJ-UHFFFAOYSA-N 400.458 1.363 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1722404523 BYQUCJDQBWVRKD-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](COC)OC)CC1 1722448563 ZFIMUAKMPIQDEO-KRWDZBQOSA-N 405.543 1.494 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1722516544 AZOOQGKOZSNRGO-OAHLLOKOSA-N 418.523 1.125 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1722529153 POMMEIJPEHLCIN-HUUCEWRRSA-N 401.533 1.096 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1722615464 QTEQKUZHLAMAHK-SQNIBIBYSA-N 402.543 1.742 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1722701628 XYJPDFLXGCCGHS-INIZCTEOSA-N 418.542 1.978 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)C1 1722714944 QDNKYKKJGKJUNY-DLBZAZTESA-N 402.543 1.885 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1722795010 BPYHXCZZRLDJCE-OAQYLSRUSA-N 411.485 1.551 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(C(N)=O)cc1 1727602246 HIUYIRAVKUNPPV-UHFFFAOYSA-N 416.489 1.581 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730485785 WXLKMTICYPRQTH-INIZCTEOSA-N 410.457 1.851 30 10 HDEE C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 1740273011 CAQGHFZANPULEY-MGSPEMMDSA-N 400.475 1.594 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740564955 DJSXPPAOMHPHKI-INIZCTEOSA-N 407.540 1.331 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1740567503 SBHCVHYMZBOWBH-WMZOPIPTSA-N 423.583 1.945 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740615629 IDEPYQQGXJUQMT-KRWDZBQOSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740622857 JWIMGVVSEPOCKM-CABCVRRESA-N 400.508 1.408 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CC2)CC1 1740688984 NAFXRBWISLZLTH-UHFFFAOYSA-N 400.527 1.086 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCC[C@H]2C)CC1 1740695114 FFNXXQIPYSRAMO-LJQANCHMSA-N 408.554 1.755 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](F)COC)CC1 1740700163 IKYUPAAYMRZGLF-MRXNPFEDSA-N 405.449 1.736 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740792638 ZYJMWMMRZBVOGX-LSDHHAIUSA-N 408.528 1.586 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740862024 IDKISIWKIVIZDG-QGZVFWFLSA-N 423.521 1.943 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(F)cc2C1 1740950770 HFGZWMVWDRQOIS-UHFFFAOYSA-N 400.458 1.420 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740958172 JUISBECXYGBRFB-OAQYLSRUSA-N 402.543 1.539 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@](C)=O)CCC2)C1 1740975346 BDQPQORODBIHBS-OLRZCDJHSA-N 404.540 1.761 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1740981213 VHFPOPBHYUSMRW-GDBMZVCRSA-N 416.457 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)C1Cc2ccccc2C1 1740992421 PPRPHUUTXVHKHN-SFHVURJKSA-N 416.547 1.986 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)CC1 1741988398 PITNOEKEWKBNQQ-OAHLLOKOSA-N 422.555 1.574 30 10 HDEE CCn1cnnc1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1746363917 FCCGJDRJTAHSBJ-CYBMUJFWSA-N 418.465 1.849 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(S(C)(=O)=O)CC2)CC1 1748983526 RUTDGQWBLQWNOG-UHFFFAOYSA-N 403.508 1.179 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1749114421 BUKUJMPYNGTHCZ-PMPSAXMXSA-N 404.515 1.112 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749678158 XUBOUMGATQTEOX-MRXNPFEDSA-N 412.494 1.135 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1750154133 GZHKAHXOLQMXEG-FJIDUMEYSA-N 404.515 1.071 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1760099937 OFBISZWVGOBJBS-VFNWGFHPSA-N 412.494 1.319 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C(C)C 1760172861 BMAWJOSPOOKJDR-HXUWFJFHSA-N 419.551 1.672 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760355288 DTLGKRHKLWQUFH-LJQANCHMSA-N 401.471 1.302 30 10 HDEE C=C1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1760390281 ICMMXMDNQTWPJF-UHFFFAOYSA-N 411.597 1.766 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760564629 DBENVZFGMIUXQI-KKUMJFAQSA-N 404.540 1.396 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1760752091 AGIROTLDOOEHSM-UHFFFAOYSA-N 414.510 1.801 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1761432722 DOTRVKNCPVZOBL-INIZCTEOSA-N 403.531 1.125 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OC 1771223957 YZJJQRKNUYLATD-HOCLYGCPSA-N 402.455 1.183 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccnnc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772794009 XMAYHGQNFXQTDZ-OAHLLOKOSA-N 412.402 1.667 30 10 HDEE C[C@H](C(=O)N1CCC(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2S1(=O)=O 1849061118 PYUAHLBBUOTOLS-CQSZACIVSA-N 424.482 1.892 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OCCN2CCNC(=O)C2)CC1 1850602976 OLRWMSBLPVKMLT-UHFFFAOYSA-N 407.474 1.298 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1851301675 CWMDTEIHMOTXDV-UHFFFAOYSA-N 418.519 1.209 30 10 HDEE C#Cc1cccc(NC(=O)C(C)(C)CN2CCN(CCCS(C)(=O)=O)CC2)c1 1851476074 JLBPYRWHTLNZSU-UHFFFAOYSA-N 405.564 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)NCc2ccc(C#N)cc2)CC1 1851782345 BSRZZICEIQQZNZ-ZWKOTPCHSA-N 412.490 1.890 30 10 HDEE C=CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@H]1CCN(C)C1=O 1852208070 ALAJZHGGRMJWCH-AAEUAGOBSA-N 419.425 1.508 30 10 HDEE CC1(C)[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC[C@@]1(C)C(N)=O 1852520757 BQEXGRMWTMADMN-JTSKRJEESA-N 413.522 1.546 30 10 HDEE N#CC1(CNC(=O)c2nc3ccccn3c2I)CCOCC1 1852637870 YKVUUJIYHLPEDN-UHFFFAOYSA-N 410.215 1.989 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@H]4CCCC[C@@H]43)ccc21 1853966453 GTJODCLBDMNYDZ-ROUUACIJSA-N 417.487 1.738 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cn(CC)nc2C)C1=O 1854191346 VYZVOARKADZEKD-QZTJIDSGSA-N 401.511 1.451 30 10 HDEE COCC(=O)N1CCCC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854371432 LFTAVKNKDUYYSG-SFHVURJKSA-N 400.479 1.598 30 10 HDEE CCOCC(=O)N1CCCC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854487401 KKMYTFNQNKTLNR-LJQANCHMSA-N 414.506 1.988 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2cccnc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517717 UCPOCFPSTVPCTM-UHFFFAOYSA-N 412.471 1.334 30 10 HDEE Cc1ccc(=O)n([C@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)n1 1855012373 GBSCKSQDGOMFAS-HUUCEWRRSA-N 411.437 1.383 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCCc4nc(OC)cc(C)c43)C2=O)CC1=O 1855306524 GFEXUGAAQISCDH-WBVHZDCISA-N 412.490 1.313 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCN(c4ncccn4)CC3)C2=O)ccn1 1855712340 OVDHZBRTZNTREF-SFHVURJKSA-N 405.462 1.087 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)CC[C@@H]3CCCO3)C2)CC1 1855852798 JKHOEHIHIXNALF-MJGOQNOKSA-N 411.506 1.410 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)CN4CCOC4=O)C3)CC2)cc1 1856008282 BZDWSACTFHVXNG-LJQANCHMSA-N 410.474 1.598 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)c1 1856552440 HUKUAYZJUZKZBM-QZTJIDSGSA-N 418.519 1.121 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC(CC#N)CC3)C2=O)CC1 1857241091 DNRVYPFFWGRMIB-SFHVURJKSA-N 404.511 1.998 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1857387354 KRTNTAQSNGVRKV-APWZRJJASA-N 412.465 1.932 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1864948066 ICZQKCCCAVOQIX-HNNXBMFYSA-N 413.434 1.983 30 10 HDEE C=CCn1nnnc1Cn1cc(NS(=O)(=O)c2cc(Cl)ccc2OC)cn1 1871343384 IGBMOORUMQBILB-UHFFFAOYSA-N 409.859 1.567 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cs1 1890368595 USHUNWHAAHUUMB-ZDUSSCGKSA-N 414.487 1.850 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1982304432 QTUXNGJCEAGXSO-RYUDHWBXSA-N 413.334 1.839 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1C#N 2054402928 JRMGSYFWKMKKRL-QZTJIDSGSA-N 400.460 1.997 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@H](CS(C)(=O)=O)C2)OC1(C)C 2172711237 IKWNWIMRGISAKI-LBPRGKRZSA-N 400.737 1.905 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174773438 YAGMZRHNQCUMNL-JKSUJKDBSA-N 400.545 1.493 30 10 HDEE CC1(C)OB(c2ccc(CN3CCSC[C@@H]3S(C)(=O)=O)s2)OC1(C)C 2227154127 QNGZOWQNYINZFA-AWEZNQCLSA-N 403.400 1.967 30 10 HDEE COCCNS(=O)(=O)NCc1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2237716325 NUSCGXBNEFEVBP-UHFFFAOYSA-N 404.363 1.235 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCO[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674780 NNDIVCQBDMRHHD-LSDHHAIUSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2247826540 VSQRWIWYBMDOMK-UHFFFAOYSA-N 420.319 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2247929251 FKODJEORKUHLIQ-INIZCTEOSA-N 422.331 1.842 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)OCCO1 2255932148 XNABNFDNPFFYLZ-UHFFFAOYSA-N 401.265 1.166 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@H]1CCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2258152471 DUXXMDHBKRIBMH-PMPSAXMXSA-N 409.464 1.066 30 10 HDEE C#CC[C@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258950148 RPWFOUKNZYHMAR-IRXDYDNUSA-N 408.476 1.272 30 10 HDEE C#CCCN(C1CCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270512077 RFKRHJZLWMKAFK-GOSISDBHSA-N 422.503 1.964 30 10 HDEE CO[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H]1O 2281973831 CDTOYDMKHCKQAM-YUSALJHKSA-N 401.721 1.969 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1C1(C)OCCO1 2282036277 GWXPZJAKNFICPI-OAHLLOKOSA-N 405.304 1.477 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CC[C@H](O)C1 2282321679 AKQXWAISPPTSIV-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE CN1CCC[C@H]1CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282340004 ZZSAWFANXBOPQI-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CN([C@H]1CCC[C@@H]1CN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344531 VZETXTCLQXVIFQ-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CN(C)C[C@@H]1CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497198 MWTXBRCEPUAYAW-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE CN(CC1(N)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282835485 VKCVRKKPWSACJY-UHFFFAOYSA-N 400.737 1.751 30 10 HDEE CN(Cc1cscn1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845887 AFAUXFQEKMYUMQ-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282847418 YQSMCJHQIKLBME-DGCLKSJQSA-N 402.347 1.381 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282849136 XGLHKVVIBAJXEF-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE CCC[C@H]1CNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856199 OVTZGMHBXMBYLW-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 2282870126 NFZXKDZOFBFJRE-XHDPSFHLSA-N 401.721 1.641 30 10 HDEE CCON(CCN)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282872358 VLTIQBNMELXLEB-UHFFFAOYSA-N 404.725 1.540 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@](C)(O)CC2)OC1(C)C 2282876445 DDRGDDHMTBQVRZ-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CSC[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284392398 WVENIPRQIJNKCD-NSHDSACASA-N 400.693 1.580 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CCF)C(=O)O 2284414342 GSEJZCYGCBJRQF-JTQLQIEISA-N 407.294 1.447 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284456624 DCPZIJIJMLSIPU-KOLCDFICSA-N 401.677 1.673 30 10 HDEE CSCCS(=O)(=O)NCCc1c(F)cccc1B1OC(C)(C)C(C)(C)O1 2289822231 HZYNUWHPOTZJAJ-UHFFFAOYSA-N 403.350 1.950 30 10 HDEE O=C(O)c1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 2322614542 SJQGWDSDZZXASC-GFCCVEGCSA-N 410.839 1.401 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)[C@H](N)c1nc(Br)nn1CCOC 2328462548 QZLSTWLKQHEFLM-RYUDHWBXSA-N 416.320 1.994 30 10 HDEE CCCCc1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331330851 LGORSZUGUHHJRJ-UHFFFAOYSA-N 420.451 1.760 30 10 HDEE CCCN[C@@H](C#CC(C)(C)OC)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363522856 ARETYEZBGKYQED-JKSUJKDBSA-N 402.557 1.721 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOCCN1C(=O)OC(C)(C)C 2365202214 NEFSLPHPZBIACK-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2365965530 XHRFPLZMBBHLDQ-SNCIUUNGSA-N 412.490 1.289 30 10 HDEE CO[C@@H]1C[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367801965 XDDGCSYMDPAQQP-BZUAXINKSA-N 401.525 1.590 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367809010 JBTREPGDHKKQAD-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCC1 2367812119 PQGXFYSOXMURGW-GJZGRUSLSA-N 400.541 1.483 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCNC(=O)OC(C)(C)C 2367823412 ZAALMEDUXJAFFX-YJBOKZPZSA-N 402.557 1.601 30 10 HDEE Cc1cccc2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cn12 23557729 FIBZSWHGYXVWKC-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1 26079009 KVSUUXHBXVGOQA-AWEZNQCLSA-N 420.512 1.493 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Sc2ccc(NC(C)=O)cc2)CC1 55078409 LNLGJXSFJHRHQW-OAHLLOKOSA-N 404.536 1.572 30 10 HDEE N/C(CN1CCC(NC(=O)c2csc(I)c2)CC1)=N\O 124459614 BHTCGOSYBVIDFD-UHFFFAOYSA-N 408.265 1.293 30 10 HDEE Cc1nc(O)nc(O)c1C=NN1CC(=O)C(c2nc(-c3ccccc3)cs2)=C1N 254569472 PYGZFCISMGVEKU-UHFFFAOYSA-N 408.443 1.866 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1=O 410112988 LXSQCXZGHKSMNM-KRWDZBQOSA-N 420.466 1.814 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N 438951576 VQLIKJXVQZEGCU-QHSBEEBCSA-N 412.851 1.325 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)cc3OC)cn2)CC1 463690048 JXIXJQYSKPWXFU-UHFFFAOYSA-N 415.519 1.582 30 10 HDEE N#CCCCOc1cccnc1NC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 466602655 UNQQDHUTZJJEPJ-UHFFFAOYSA-N 414.510 1.830 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)cc2)c1N 477905890 QLKZKDNEDNEVGI-UHFFFAOYSA-N 421.505 1.000 30 10 HDEE CC(C)Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 492238712 GNPVQADLLUKGTI-UHFFFAOYSA-N 413.503 1.920 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)c4ccccc4[nH]3)CC2)cc1 506030751 LDFZTYJDUBXUMY-UHFFFAOYSA-N 422.466 1.546 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[S@](=O)C(CC)(CC)C1 508886213 YDFXIXKYAONHJE-PWECECGKSA-N 400.570 1.494 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 509470797 SVZOZFJCSKIDAB-HNNXBMFYSA-N 404.517 1.727 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CCC 516829243 FHKAKSKZKSYQOA-UHFFFAOYSA-N 413.543 1.975 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1CN1CCOCC1 518431749 JOJNOFVSKQZSHF-IBGZPJMESA-N 410.522 1.864 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1Cc1ccccc1 523862510 ZNEWQDPBWUBYFQ-UHFFFAOYSA-N 406.511 1.810 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)n1 545505999 COGJRUKZDNZUNL-UHFFFAOYSA-N 422.445 1.195 30 10 HDEE CN(C)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 549758958 HAPIUATVWSYYHJ-UHFFFAOYSA-N 413.503 1.162 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 554302012 VKZYXJNPWRDOBM-MRXNPFEDSA-N 423.514 1.343 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CC1 554813972 JDGKGDDEUCVUEN-OXJNMPFZSA-N 411.437 1.673 30 10 HDEE CCOCc1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCCO1 555469829 SCWAPSZUJVYYOU-SFHVURJKSA-N 411.510 1.977 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 556396324 UYYVROMTVLWGPZ-UHFFFAOYSA-N 402.467 1.584 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 564687132 NGBBADPCSCSOJM-IBGZPJMESA-N 424.505 1.426 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)CC1 565057364 DZLKVZWBNSRJJH-MRXNPFEDSA-N 423.564 1.877 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](Cc2cccc(Br)c2)C(=O)O)cc1C#N 569545304 VAWTWJUVHUQJEV-HNNXBMFYSA-N 424.276 1.998 30 10 HDEE C=CCOc1ccc(NCC(=O)Nc2nnc(COC)s2)cc1-n1cnnn1 586322369 FCJSTKSCBXCQNM-UHFFFAOYSA-N 402.440 1.276 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccc(F)cc1 589766112 BWJXDDBSGDMCLF-UHFFFAOYSA-N 423.469 1.604 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 609594819 IDZKOATXVIYZML-QGZVFWFLSA-N 400.460 1.899 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1)[C@@H]1CCS(=O)(=O)C1 729331847 QUIRNBYNADMKQS-GOEBONIOSA-N 412.533 1.026 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@H]2CCOC2)C1=O 731560672 XMGDXZFRCZRJQS-WMLDXEAASA-N 416.503 1.679 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 731861519 DUGUHFNYECOBBJ-XGIGFIBQSA-N 410.474 1.110 30 10 HDEE Cc1nc(CN2CCC(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)oc1C 732676521 CXODUDFWJHNCEH-LJQANCHMSA-N 400.527 1.885 30 10 HDEE C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 732703815 LJSXTKOKFHYMDX-RHSMWYFYSA-N 405.524 1.380 30 10 HDEE C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 732703817 LJSXTKOKFHYMDX-YOEHRIQHSA-N 405.524 1.380 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCc3ccc(C#N)cc3)CC2)cc1 741008524 YZGDWCQZOHGWAD-UHFFFAOYSA-N 413.499 1.916 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 744007927 PSRLLSAXBVZWJJ-KRWDZBQOSA-N 412.471 1.452 30 10 HDEE C[C@@H](OC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)N(C)CCC#N 744781083 MCRIIALGSVNCJR-ZIAGYGMSSA-N 413.521 1.595 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N3CCc4ccccc43)cc2C1=O 750881769 JHECJIIXPQTLLP-UHFFFAOYSA-N 411.439 1.506 30 10 HDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1F 751672874 YDVGUTBENSOAFX-NVXWUHKLSA-N 422.526 1.922 30 10 HDEE Cc1c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cccc1S(N)(=O)=O 754064167 MIBXZPPOTGVFRT-UHFFFAOYSA-N 414.487 1.728 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 758750170 DXLKHCSMORTAES-GDBMZVCRSA-N 416.482 1.090 30 10 HDEE C#CCN(C(=O)NCc1ccn(-c2ccc(OC)cc2)n1)[C@@H]1CCS(=O)(=O)C1 774195562 KPUFWNPUAIWLDE-QGZVFWFLSA-N 402.476 1.213 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@H](CC)C(=O)N2)[C@H]1CCS(=O)(=O)C1 774240035 GXWQMKCFFPKJQD-UKPHBRMFSA-N 419.503 1.689 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 775550537 GEMZSVFIBMEKNV-UHFFFAOYSA-N 415.397 1.862 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(=O)n(C)c1=O 787352449 LTEBXYMVNOMFMX-UITAMQMPSA-N 421.457 1.319 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)n1 788620449 PRTIIMJAUWOEER-UHFFFAOYSA-N 410.438 1.181 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798741450 QJWLAAXNLACGQJ-YNEHKIRRSA-N 401.423 1.537 30 10 HDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 798744068 HIAKFANKMJXFHV-ZIAGYGMSSA-N 400.414 1.130 30 10 HDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C 800728341 KZBMOCPOKIFNDE-HNNXBMFYSA-N 414.539 1.260 30 10 HDEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C)[C@H]1CCS(=O)(=O)C1 809865220 JDHDCMZQGWNLMH-INIZCTEOSA-N 418.519 1.906 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809868236 BZJJMPBLQYUNCB-MRXNPFEDSA-N 418.519 1.905 30 10 HDEE N#Cc1cc(Br)ccc1Cc1nc(-c2cn(CCO)c(=O)nc2O)no1 904847691 BGZSWUAUSUUGRU-UHFFFAOYSA-N 418.207 1.216 30 10 HDEE CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(S(=O)(=O)NCC(=O)O)cc1 916325354 JOQGPNDAOOCXIX-UHFFFAOYSA-N 420.344 1.837 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1OC 1127752534 UFHHLUURIBWPSZ-HOTGVXAUSA-N 408.414 1.525 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1136592591 DIELPOIIEBUUMY-IBGZPJMESA-N 412.490 1.907 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)c1 1142387076 GBQOFSFOILSDIP-KRWDZBQOSA-N 412.533 1.190 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)nn(CCC(=O)OC)c2C)cc1 1149745545 WCQXMHWLSWDAOI-UHFFFAOYSA-N 420.491 1.780 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)cc1 1152175014 KGOKYCBNBUATJF-SFHVURJKSA-N 403.504 1.880 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)CC1 1153261704 BACJWSQOIPZUIL-UHFFFAOYSA-N 410.474 1.775 30 10 HDEE CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1163678008 QOPMUSYRNXKRDP-UHFFFAOYSA-N 423.397 1.817 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)c1 1166291614 UMYQCZMDSYXOBC-UHFFFAOYSA-N 415.515 1.756 30 10 HDEE N#CC1(C[C@@H](O)CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1167259190 NBOYNIOYBJLDNX-MRXNPFEDSA-N 421.519 1.209 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)OCC 1193572285 BBNSLNVETFSYLP-LLVKDONJSA-N 418.855 1.379 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]12 1196198545 NQQVXAKWEKFCIG-BWPSIRRCSA-N 409.533 1.179 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1ccc(C#N)o1)CCO2 1213917230 HQPTUSFSDFZOGE-UHFFFAOYSA-N 411.480 1.942 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1223386095 LTZXMCSEKWUEMP-LJQANCHMSA-N 418.563 1.758 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CC1 1228205020 WOTZNPXLNQTHCJ-QHCPKHFHSA-N 423.517 1.808 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1234502104 FJJFKGHDTMFXGI-DNMXQMFDSA-N 409.895 1.750 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H](Cc3cccnc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1235683002 CNZXTAQJMKJCIS-BJLQDIEVSA-N 402.520 1.763 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)C1 1248675106 CJEHDDMWFPZJCS-JKSUJKDBSA-N 408.424 1.903 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2CNC(=O)c3ccccc32)c(C#N)cn1CCOC 1264542770 HDPHISARJXIPOE-INIZCTEOSA-N 410.430 1.649 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1286376004 CADOQUJYXHZWJE-CQSZACIVSA-N 408.911 1.960 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286395486 RMYUDAYXZMAMBC-IAGOWNOFSA-N 422.551 1.452 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1286449700 DETOIIXCBDCOGW-UHFFFAOYSA-N 406.490 1.599 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286645635 FGTUVVXLMNRQNW-RTBURBONSA-N 416.570 1.881 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1286772310 AVVSNVBIHICZOH-QGZVFWFLSA-N 422.493 1.497 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1286882619 IDWWQOHSJYJVMI-INIZCTEOSA-N 411.510 1.347 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1nc(C(C)C)no1 1291958235 BGNVQUDQWUXRJL-NRKLIOEPSA-N 402.495 1.965 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2OCCC2(C)C)CCOC1 1296662238 BJXYNNZRHIPMFB-TWOQFEAHSA-N 405.499 1.474 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncns4)CC3)CC2=O)cc1Cl 1298235019 UKAHJLGSKDJFQC-CYBMUJFWSA-N 416.894 1.765 30 10 HDEE Cn1cc([C@@H]2C[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCO2)cn1 1298555481 XCNSLRSAOCLCEU-GUYCJALGSA-N 406.439 1.507 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1299070838 AZSRFIZBDORKIR-IRXDYDNUSA-N 400.458 1.764 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1300303478 KYUPPGOFFOJKQS-FXAWDEMLSA-N 424.549 1.870 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1300404018 SYAOCQQWUACOLH-INIZCTEOSA-N 414.510 1.576 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS2)CC1 1300685098 GHEYJQAWPYAFSE-RXVVDRJESA-N 419.595 1.970 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)C(=O)NC)CC1 1300708931 YRNZPNFZVRQGOC-UHFFFAOYSA-N 424.549 1.693 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 1300740786 DDMWZBSSGKHDQX-LJQANCHMSA-N 415.563 1.515 30 10 HDEE C=CCCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1301222761 FHVZRCBNWRBBFG-UHFFFAOYSA-N 404.559 1.424 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(O)nc(C3CCC3)n2)ccc1F 1301756471 YYUONFFQSBFKKH-UHFFFAOYSA-N 420.466 1.983 30 10 HDEE COCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1302894196 GJPPUYBXQQRHJN-UHFFFAOYSA-N 409.508 1.159 30 10 HDEE Cc1nc(C)c(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)[nH]1 1303892266 WPMMBGAEJVVPRH-OAHLLOKOSA-N 403.508 1.796 30 10 HDEE Cc1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)n(C)n1 1304725258 AXOYAQVLVADXGT-IBGZPJMESA-N 409.429 1.458 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccncc1 1314356087 QDGNCCVVMLNOTB-UHFFFAOYSA-N 405.462 1.987 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1314920884 SWZXVRXCQYWMFZ-NHCUHLMSSA-N 423.452 1.649 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)CCO1 1327188372 AITDXRJFGVCHHH-MSOLQXFVSA-N 424.509 1.360 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358760989 UWTLJIZFXTZBQW-SXOPZADCSA-N 408.502 1.389 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1358873159 FDGOHXGDVHXJQH-OXJNMPFZSA-N 424.567 1.601 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1358946715 GNARMYRRDAIGHH-UHFFFAOYSA-N 412.475 1.264 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1358970325 LVMNFMNEJXTVGN-QHCPKHFHSA-N 421.501 1.539 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCOC[C@@H]2CCOC2)CC1 1359033555 GQNNJPNRFJQXFE-IBGZPJMESA-N 410.522 1.539 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359081488 CKJILDSPUUUJMY-CQSZACIVSA-N 408.304 1.692 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1359089722 NTSRKRWSYGHWHV-IHRRRGAJSA-N 412.288 1.639 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359131174 JYVAEORRUOOGBK-PKOBYXMFSA-N 413.526 1.485 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1359150846 HVWBOOJYRQHZIM-YUELXQCFSA-N 417.963 1.988 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@](F)(C#N)C1 1359303494 QHRBWILNNATLSW-OAQYLSRUSA-N 412.469 1.816 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccsc3n2)C1 1359311641 FLWYMTTYRJPXSR-OAHLLOKOSA-N 415.523 1.955 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2 1359341669 DHGLQUHKUOZYMC-CQSZACIVSA-N 404.540 1.255 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1359455428 PSLLYLJMULTBNX-UHFFFAOYSA-N 424.505 1.729 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1360471602 KRMFHKVKSMEIEP-ZDUSSCGKSA-N 403.874 1.591 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](CC#N)c1ccccc1)CCS2(=O)=O 1439953569 QMXNVNLBOPDRAP-RXCRORICSA-N 404.488 1.699 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 1445124882 IDYHEJUURNOFRC-QGZVFWFLSA-N 407.536 1.636 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1450324165 HFVFBYSOMMSXQC-QGZVFWFLSA-N 421.519 1.193 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C 1454136603 RTXOLEYGVFPLJX-UONOGXRCSA-N 407.492 1.163 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1455207168 ZBOYHCDYSGUWBV-IEBWSBKVSA-N 408.520 1.876 30 10 HDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC(c2ccccc2Cl)=NO1 1456205990 DBNJCWRQHHJQDF-IGNZVWTISA-N 407.879 1.620 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC2=O)C1 1456823917 LUWHJYUWRYQKCI-QGZVFWFLSA-N 424.501 1.926 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)nn1C 1461172294 HUUAAEAZBQDBAN-UHFFFAOYSA-N 402.208 1.597 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(CN4CCOCC4)n3)CC2)cn1 1467118854 CZSHFLXUOQOTTA-UHFFFAOYSA-N 407.478 1.535 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)cc1 1468071041 NIKASCSNCQBHQX-SJORKVTESA-N 410.517 1.556 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)c3cccc(C#CCO)c3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1469286398 OGRTZYFBXQZBFC-VQTJNVASSA-N 424.501 1.897 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1COc2cccc(Br)c2C1 1471441384 ZLEFYXULUCDTPK-SHYALIGYSA-N 420.263 1.785 30 10 HDEE Cc1c(C(=O)N[C@@H](CC#N)C(F)(F)F)cc(Br)cc1S(N)(=O)=O 1471959889 IZCXDRJEBBJIHP-JTQLQIEISA-N 414.203 1.979 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ncccn2)CC1 1471966164 NINLYZUWEUWPCJ-UHFFFAOYSA-N 413.503 1.702 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1 1472299817 AFHWJTSMKLLSME-STQMWFEESA-N 423.901 1.837 30 10 HDEE C=CCNC(=O)NC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1473062643 PLENSKTWSVCHRH-UHFFFAOYSA-N 405.458 1.290 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850788 SMLHISOEQOQSNC-YVEFUNNKSA-N 411.505 1.042 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1474974809 AZKVPNNJZAEAFR-KRWDZBQOSA-N 424.519 1.754 30 10 HDEE C#C[C@H](NC(=O)NCC1(S(=O)(=O)N(C)C)CC1)c1ccc(Br)cc1 1478897112 VGCJGHUNTWNOBD-AWEZNQCLSA-N 414.325 1.847 30 10 HDEE CC(C)OCCOC[C@H](O)CN(C)C(=O)NC1CCN(c2ccccc2C#N)CC1 1479071534 RYUROQKXIYINMG-HXUWFJFHSA-N 418.538 1.971 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1503279545 IHHNSPPILPDESY-MAUKXSAKSA-N 410.544 1.241 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1503402707 GCZCWLNEUOJHHZ-HNNXBMFYSA-N 405.890 1.300 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(F)F)C1 1503680466 QGNFBUDBGDMZRF-FQEVSTJZSA-N 420.464 1.887 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507688511 BZGJUPVOJRQFJX-MJGOQNOKSA-N 410.522 1.910 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1507693768 GLGJZKLDTZYLQB-QGZVFWFLSA-N 419.555 1.023 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 1507728913 XANHPSAZFCHVNH-UHFFFAOYSA-N 419.595 1.591 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC[S@](=O)C(C)(C)C)CC1 1507734106 RBAKLVHPXIKVMB-NDEPHWFRSA-N 407.584 1.915 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1508011687 KHQOYEPEWMZEIN-UHFFFAOYSA-N 400.508 1.887 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1508036484 PGWYZLLXLDABMW-SFHVURJKSA-N 418.542 1.411 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1508082053 REPUKYSJMMTMAT-UHFFFAOYSA-N 407.482 1.150 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)[C@H](C)C1 1508241680 LEKPADBKSRZSFJ-MRXNPFEDSA-N 412.494 1.273 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(O)c2)CCOC1 1509820977 YBICIZKUORXEBC-WIYYLYMNSA-N 413.478 1.801 30 10 HDEE CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)cs1 1513752298 ULSSSROXSCTRHR-HIFRSBDPSA-N 406.512 1.798 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1513977033 YZVRCENSHIITEY-MSOLQXFVSA-N 410.478 1.337 30 10 HDEE CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1515360389 YTHYTJODSLOVIR-KDDVOAFDSA-N 424.461 1.773 30 10 HDEE Cc1ccc(C(=O)N(C)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 1522754429 IUGIWUWQKXPGNI-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE O=C1CS(=O)(=O)C[C@@H](C(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)N1 1528997291 NUGPGFJDQOFALM-YFKPBYRVSA-N 423.262 1.218 30 10 HDEE CC[C@H](C#N)N(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1530064258 FOYZYSCQGSRGEN-DYVFJYSZSA-N 407.268 1.977 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1535384028 YELFKNJNQWOCBG-RBUKOAKNSA-N 416.540 1.652 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1535780038 CCEYILFIQPCNHH-QGZVFWFLSA-N 407.492 1.144 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1C 1538308527 JNLJPXFUJUZSMF-FTRWYGJKSA-N 401.488 1.053 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1538977405 VVVOUOSISZRPTP-WBMJQRKESA-N 403.405 1.067 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1539005597 SPLAVJPDVKPKBC-ZBFHGGJFSA-N 401.492 1.161 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1539377815 WFLQWCMDDJWQQY-UHFFFAOYSA-N 423.521 1.140 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539514247 XGLBJTBUNDXWGW-QGZVFWFLSA-N 415.544 1.333 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1539517168 JJZPVUCEBZJNNK-INIZCTEOSA-N 403.552 1.643 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)(F)F)C1CC1 1540113721 BUJIBHRBKGJRER-UHFFFAOYSA-N 411.432 1.973 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1540172082 OIEYAGQFAKHTNN-UHFFFAOYSA-N 402.524 1.478 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540857144 BDYUHJWFKXDVBJ-UHFFFAOYSA-N 415.498 1.776 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540868067 QQTHSXUPUGAVKR-OAHLLOKOSA-N 410.478 1.067 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCSC2)C1 1540895701 XTEUHMHCOZOXQO-PXNSSMCTSA-N 418.567 1.789 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)c1 1542150724 DLGYEGZOGUNBJK-UHFFFAOYSA-N 405.458 1.653 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C)n(C)c2=O)n1 1543045286 HBMHTEGBVKYKAY-NRFANRHFSA-N 424.484 1.637 30 10 HDEE COCCC(=O)N1CCC(NC(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1545688572 DNGUFFIGWBANRI-UHFFFAOYSA-N 400.479 1.811 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1547236642 DTCUKKOKBODGSN-KRWDZBQOSA-N 409.494 1.435 30 10 HDEE COCCCn1c(-c2cccn2C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1555493938 UIAJEZSXBFSMFI-UHFFFAOYSA-N 423.525 1.560 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@@H]2CC=CCO2)cc1 1555991498 VMQDVYQBXDUMLI-SFHVURJKSA-N 413.503 1.643 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1556344661 HHDOZBOPVVRYLC-CQSZACIVSA-N 412.309 1.402 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)NCCn3cnc(C#N)n3)CCC2)C1 1556515428 XHSUWXAXMUDJHJ-FQEVSTJZSA-N 418.498 1.198 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)c1 1557106384 VBTAPQYQFBBMJD-LLVKDONJSA-N 409.489 1.885 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)CC1 1558073451 TVSROQQHNOTVPV-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE C=CCCC[C@H](NC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC 1558382969 IRRKKYISLHOMEU-SUMWQHHRSA-N 404.385 1.632 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1ccsc1 1574251422 OBOBTHNAIKHBRE-NRKLIOEPSA-N 403.504 1.317 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]23C[C@H]2CCCN3C(=O)OC(C)(C)C)CC1 1585000098 NKNWUONFUNOTJG-VGSWGCGISA-N 418.538 1.060 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1585132236 NIHVYTQBKUUCGT-NHYWBVRUSA-N 401.257 1.527 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C1CCOCC1 1585149056 RFRSISHHSBHKGF-MSOLQXFVSA-N 413.474 1.999 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1587922315 YSOBSUVKELJJPS-OAQYLSRUSA-N 404.559 1.026 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@@H]1OC 1587931783 DVAFTPYLTMETIM-AEFFLSMTSA-N 418.519 1.470 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588012029 SKOSVNLGXUGYII-SFHVURJKSA-N 423.496 1.692 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1588055014 RMJJHYABRUPPIN-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)s1)C(=O)OCC 1588121536 GHJIEBJISSLIJE-LBPRGKRZSA-N 408.929 1.644 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCOCC(F)F 1588173454 AXNDLSYWIUOJNH-UHFFFAOYSA-N 402.405 1.670 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCOC2)CC1 1588913838 RLPUNNWQQLCUSF-KRWDZBQOSA-N 408.506 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(OC)CCCC2)CC1 1588929890 IJPZJUGTJHYDHD-SFHVURJKSA-N 415.538 1.707 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)C)CC1 1589442586 BKPMVWRSGOGADH-UHFFFAOYSA-N 411.348 1.840 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnnn1CC1CC1 1589663781 QZUOVEZYSMQASS-HNNXBMFYSA-N 420.543 1.027 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)Cc3ccccc3F)C2=O)cc1 1596274801 XQJCOWWDGBOWEO-PKOBYXMFSA-N 424.432 1.622 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1596336148 FDWUXQVXJGECOX-QGZVFWFLSA-N 423.535 1.529 30 10 HDEE CC(C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1598412743 BDJHRJYTPLZANN-UHFFFAOYSA-N 405.524 1.971 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1611314991 QKXKKAMKRMZTDM-CQSZACIVSA-N 408.553 1.704 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CCn2cncn2)CC1 1618545464 MDURIJYKEKLUCN-KRWDZBQOSA-N 419.530 1.400 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CCCC1 1622358437 OYXXWEJKUZXPKV-SFHVURJKSA-N 407.492 1.917 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1622774067 SZFIQDSQPVYVGO-INIZCTEOSA-N 409.508 1.766 30 10 HDEE COc1ccc2c(O)nn(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2c1 1625446206 KLAPGJCUMYRIQD-UHFFFAOYSA-N 414.443 1.910 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)c1ccc(OC)cc1)c1cc[nH]n1 1627011281 NXDCKXGIOJKHDA-UHFFFAOYSA-N 402.451 1.796 30 10 HDEE C#CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 1627335079 RYPUWOHNVJTLOL-STQMWFEESA-N 423.482 1.367 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1628332465 QHOZSCIRNZQGAN-MSOLQXFVSA-N 403.479 1.121 30 10 HDEE COc1c(Br)ccc(F)c1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1628385800 FBVPUYUASZXOPR-DTQAZKPQSA-N 412.215 1.853 30 10 HDEE C=CCc1cc(CNC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)cc(OC)c1OC 1630469358 SQBSTGNPKOZJMI-CQSZACIVSA-N 411.524 1.513 30 10 HDEE C=C(CN(C)C)C(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1630783296 WJAXRHYFFVTEPR-UHFFFAOYSA-N 415.494 1.067 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)OC 1634058952 UDWISDSZVZMJOP-AEFFLSMTSA-N 404.463 1.164 30 10 HDEE COC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1634188267 QPVNYEZMGKMEPQ-WDSOQIARSA-N 400.479 1.794 30 10 HDEE C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1635062406 JTPUDTSGOOHGQW-UHFFFAOYSA-N 400.932 1.181 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)c(Cl)c1 1635327935 FKADGMYDHZWKGJ-YJBOKZPZSA-N 412.881 1.290 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1636289277 QIKRWDPRTVHVRS-IAGOWNOFSA-N 417.462 1.915 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCc1ccc(CC#N)cc1 1636450446 ATPYALSVXPHOHE-UHFFFAOYSA-N 420.466 1.760 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)N(C)CCc2cccc(C#N)c2)cc1 1637725003 HQYFSHHQZAOAKS-UHFFFAOYSA-N 400.504 1.893 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](C4OCCO4)C3)C2)C1 1638505537 BOYUVAWGIIPVSG-SDMXJPDVSA-N 405.495 1.995 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@@]2(O)CCOC2)ccc1F 1639835467 KGAQXXFICJJNBC-GOSISDBHSA-N 400.472 1.197 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@]4(CCS(=O)(=O)C4)C3)n[nH]2)c1C 1639950472 QWCCFQZVEFFPGK-IBGZPJMESA-N 419.507 1.106 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2cc(Br)cc3cccnc23)c1=O 1641282485 POCFLDWRKCJTHE-UHFFFAOYSA-N 401.220 1.233 30 10 HDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(C)(C)C 1641835724 QPURFJBUVZDSRH-QXSJWSMHSA-N 412.552 1.821 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCn2cc(Br)cn2)c1 1643318032 RFPWCGWGSDSOJJ-UHFFFAOYSA-N 404.268 1.907 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CC(O)(c3cccc(Br)c3)C2)cc1 1643425754 BENRCQQCALBBOF-UHFFFAOYSA-N 414.259 1.781 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)c2ccc(OCc3ccccc3)cc2)c1=O 1644087967 ZSKYAMYHDONDQR-UHFFFAOYSA-N 405.410 1.336 30 10 HDEE CCOC(=O)c1nnn(C2CCN(CC(=O)N(CC)CCC#N)CC2)c1C(F)F 1644105699 ZFVMZWWCXQOJJG-UHFFFAOYSA-N 412.441 1.791 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C2(O)CCOCC2)CC1 1645178531 POAQSKCEVGUKGP-QZTJIDSGSA-N 424.339 1.534 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)CC1 1645873350 WOFPLWAJUMFPQO-XGBSXSJOSA-N 414.462 1.803 30 10 HDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1648962835 AOYFOUKXYNVMHW-UHFFFAOYSA-N 408.499 1.284 30 10 HDEE CN1CCn2c(CCNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)nnc2C1=O 1651256779 YAAFDOWVQXOPKO-UHFFFAOYSA-N 417.429 1.395 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CCCOC1 1653336759 HOFMUDMZAIDQBW-DZGCQCFKSA-N 403.464 1.412 30 10 HDEE CCCOc1nc2ccccc2cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653763348 UNLYMQVEIAVKMV-UHFFFAOYSA-N 405.414 1.855 30 10 HDEE CN1CCN(CCCS(=O)(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 1654013470 DUUPSURCZPVPIB-UHFFFAOYSA-N 405.568 1.038 30 10 HDEE CO[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1654499166 RFHWMUZCPYZPIL-HZPDHXFCSA-N 413.478 1.954 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1654909810 VYYBFPZYUFXRLR-OAHLLOKOSA-N 408.499 1.090 30 10 HDEE N#Cc1cc(F)c(C(F)(F)F)cc1N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1655349153 SVHOCAQUCJEATF-UHFFFAOYSA-N 404.349 1.345 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1656233737 CBQVELBPWFLCCC-OAHLLOKOSA-N 400.522 1.178 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C1CCOCC1 1663233630 BNAZRNKOHZXALZ-LBPRGKRZSA-N 411.423 1.687 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1663904443 MQDRJGCYVGSMBM-SECBINFHSA-N 410.261 1.980 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C(=O)NOC)CC2)cc1 1665969740 PHWGLAJVURXQPA-UHFFFAOYSA-N 410.496 1.415 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 1676072816 NFQDROMWYHMZCT-ZDUSSCGKSA-N 416.450 1.144 30 10 HDEE CSc1ccc(CNC(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C#N 1685883331 JPXPLCOJKZMZAS-YJBOKZPZSA-N 409.533 1.816 30 10 HDEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1686945536 WVVLWFKEBDMWOL-QGZVFWFLSA-N 419.445 1.104 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1689887138 PYAOIGLJOKINMY-ROUUACIJSA-N 400.527 1.191 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1689888182 CHVVJAMJOLMOJV-LAUBAEHRSA-N 411.510 1.518 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1689924440 HJDLRNSQKNVIDL-QGZVFWFLSA-N 408.510 1.731 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CCS(=O)(=O)CC1 1689950837 CZGLJPXZPXKDNR-UHFFFAOYSA-N 403.464 1.748 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCCCO2 1689966440 RSPOSIDTBGFEOB-INIZCTEOSA-N 416.503 1.459 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](F)COC)CC1 1690114830 ILVZCYOXXDRBNQ-MRXNPFEDSA-N 402.430 1.593 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1690122299 MVPWFGSPBQMLTO-KURKYZTESA-N 400.527 1.190 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690247532 BXHIQUGHNCXCRN-BQFCYCMXSA-N 411.572 1.587 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1692847985 MDHSXLITRDIVLW-KRWDZBQOSA-N 416.526 1.551 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1693559144 OXSWDBUIJYATLR-LPHOPBHVSA-N 411.485 1.246 30 10 HDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1695789999 BOMQRWPUDQQJSH-IBGZPJMESA-N 415.457 1.775 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1697776359 RBZJOBZKVJWQHV-IRXDYDNUSA-N 421.498 1.815 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1705478652 FHIDGVOGUMGELD-BEFAXECRSA-N 410.540 1.213 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1705493269 FTHDIAVXNDLUTH-YLJYHZDGSA-N 422.533 1.568 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705628686 MWJNRLHUJAOZPU-DBXWQHBBSA-N 404.511 1.596 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1705632502 SBYLGAURHSILJE-UHFFFAOYSA-N 424.549 1.769 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2(S(C)(=O)=O)CC2)CC1 1705637231 OEIAEDIIHNTZJF-UHFFFAOYSA-N 417.510 1.417 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705805778 OBDJQQPYNMTCSW-SQGPQFPESA-N 424.567 1.921 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705813853 VVBPGLPYMROZAU-KRWDZBQOSA-N 421.509 1.849 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1)C1CC1 1705847918 ILVFAVTXSOBHRN-QGZVFWFLSA-N 402.543 1.637 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1705865894 AHWPLSVFANZPLB-CQSZACIVSA-N 423.564 1.570 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705899038 GNHUSXBFZCERGS-MOPGFXCFSA-N 406.490 1.982 30 10 HDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N(C)Cc1cccc(C#N)c1 1710894157 FNFOOVBSXGOHHI-UHFFFAOYSA-N 402.524 1.993 30 10 HDEE CO[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1711619543 DUYDBCROEOGBHI-MOPGFXCFSA-N 415.429 1.173 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1712685351 CXMCMWNTQXCVKM-MRXNPFEDSA-N 416.507 1.426 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)NC2CC2)CCO1 1712883094 KYYOBFWNHORCEW-OAHLLOKOSA-N 415.885 1.781 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722304410 ZJQSXKSMFPAKJB-HNNXBMFYSA-N 402.499 1.527 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCOC2)c1 1722304925 AWZPCYWWIVQIJE-QFIPXVFZSA-N 411.506 1.783 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnc1C 1722350116 MQCANQGFKIPMGK-UHFFFAOYSA-N 416.489 1.857 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1722405460 LUKMLINQGTVWPS-HXUWFJFHSA-N 424.567 1.747 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1722407799 RYSIATIFELXTRC-UHFFFAOYSA-N 402.886 1.735 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCc1n[nH]c(C)n1 1722427484 VTAMFXLVLLNOKR-UHFFFAOYSA-N 415.448 1.902 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCS2(=O)=O)CC1 1722568522 PNDFLGTUZAQWLX-UHFFFAOYSA-N 419.555 1.332 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCCCCC1 1722863074 HOCGIQHKJOQTAW-GJZGRUSLSA-N 412.560 1.569 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc2c(c1)COC2 1723910254 DGYRECBLRXAUJE-KBPBESRZSA-N 418.523 1.705 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 1724011321 ZEGHZSRHOBXNCG-HNAYVOBHSA-N 423.539 1.116 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cs1 1725415231 SRZLPTJTTSLJMR-WMLDXEAASA-N 417.539 1.083 30 10 HDEE CCCCN(CC)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728050934 NNSIEJXHNUAUBE-QFPXGYFVSA-N 402.499 1.935 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1728185663 DTCUKKOKBODGSN-QGZVFWFLSA-N 409.494 1.435 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccc(C#N)c3)nnc2N2CCOCC2)CC1 1728628444 CKVQQZKETFIDNA-LJQANCHMSA-N 423.565 1.927 30 10 HDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1730581016 GPDAQJLLJJEABN-GOSISDBHSA-N 424.505 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740539755 VIXPOCLQUFAMID-QKLQHJQFSA-N 424.567 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ncn(-c2ccccc2)n1 1740641565 CMXQWVQNFSXJPU-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1 1740646304 VKFXJVJOTRUBBE-MRXNPFEDSA-N 417.510 1.847 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(C)(C)C)CC1 1740691338 ZVPDJBFJNLJWBG-MRXNPFEDSA-N 410.588 1.470 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc3c(c2)OCCO3)CC1 1740705777 MMAMYMBGKZHHKE-UHFFFAOYSA-N 409.490 1.626 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740864018 ITTBYGYHNGVJIE-HZPDHXFCSA-N 407.540 1.348 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1740899347 LRFPFJYTIPNUCZ-OAQYLSRUSA-N 413.526 1.880 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1740904056 VWRYOAJIBVHJRD-UHFFFAOYSA-N 400.575 1.788 30 10 HDEE C=CCn1c(COCC)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1740950212 WTMKWMSVEJHWMM-HUUCEWRRSA-N 423.514 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC(C)(C)[C@@H]1C 1740989228 FQXVVWNOMAJCQR-HNNXBMFYSA-N 407.540 1.888 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1743253682 PQNOIMYVGNWPFH-ZJYNUGOYSA-N 408.462 1.697 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCCOC 1743783987 RVUGPTFOZMXHTG-DOTOQJQBSA-N 400.483 1.989 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1747997620 QQQZPTILGKEFFN-IBGZPJMESA-N 419.507 1.103 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1748747556 JWHDHVXHABQEPU-ZDUSSCGKSA-N 416.423 1.665 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1748842193 GKCRUBSVHCNZAC-UHFFFAOYSA-N 419.489 1.245 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1748843415 DHDTUHGUVPJNOA-UHFFFAOYSA-N 421.592 1.387 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2nsnc2c1 1748875099 JFHWWNDRSDJKPL-UHFFFAOYSA-N 407.503 1.932 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1748922609 FJMLYQNXZNGBFO-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N(C)C)CC1 1748971586 WDLQBNWIBMBHNV-IBGZPJMESA-N 423.565 1.853 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)CCC)CC1 1749016709 LNNNGONAUXWHHL-HSZRJFAPSA-N 424.549 1.781 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749433981 CJZUZDBMTDJZGP-AWEZNQCLSA-N 416.507 1.877 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1749457146 GRVDSBJFWDLASX-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCCNS(C)(=O)=O)C1 1749700020 GEUODEFOZXWCJA-OAHLLOKOSA-N 409.512 1.567 30 10 HDEE COCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749733186 CUUVEDABUYEKDL-OWCLPIDISA-N 420.514 1.814 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1751672428 BULPHOXCUMVYHE-IRXDYDNUSA-N 415.519 1.807 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1760115929 CXJPILLKRNRERU-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1nnnn1CC1CC1 1760124918 VRRNNEAODHRXTG-HNNXBMFYSA-N 422.493 1.768 30 10 HDEE C#CCCCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1760142948 RRSLAEAWFMFGDL-UWJYYQICSA-N 403.527 1.791 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1760151984 BRYXBRJINKNRPG-AWEZNQCLSA-N 417.539 1.352 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NC)c1 1760238657 FFYLGFGDJCXKFW-OALUTQOASA-N 411.506 1.870 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)CN2CCCC2)CC1 1760262078 IFTUXXGCQXHQNT-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1760465194 ZAHCQRYCBZFEKK-INIZCTEOSA-N 409.487 1.421 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1766694098 URFOMOJDTMTFGI-QAPCUYQASA-N 413.544 1.349 30 10 HDEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 1766900301 CZRJFVGCWXLTPJ-SFHVURJKSA-N 423.521 1.239 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnnn2CC2CC2)c1 1768775183 CKPAQJAEZOGKLC-CQSZACIVSA-N 407.482 1.994 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCCO 1768920440 YUFFUOJQPAQVQX-FQEVSTJZSA-N 403.458 1.718 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1769111541 BUBDLLKUOQAUQF-HNNXBMFYSA-N 412.494 1.726 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)C1 1770726125 AURSJWLPNJGWJK-GOSISDBHSA-N 419.486 1.483 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(C)CC1 1771222591 KHYDYSIVLOERQS-MOPGFXCFSA-N 420.558 1.853 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#Cc2cnn(C)c2)cc1 1850090706 VAYSQIMDSLAJQE-LJQANCHMSA-N 416.503 1.140 30 10 HDEE CCc1ccccc1-n1nnc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1C 1852493943 IUDVSNOWYZAYOL-UHFFFAOYSA-N 402.462 1.762 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(-n4ccnc4)ccn3)CC2)nc1 1852634743 QZKPNWIZKIRLIR-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)CCC(=O)N1CCN(C)CC1 1852760122 MBLUAJBKBVDWSA-UHFFFAOYSA-N 410.478 1.635 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1852957277 RAJICUUVGONNCL-UHFFFAOYSA-N 420.413 1.614 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1C(=O)c2ccccc2S1(=O)=O 1853047849 OMCMLXKABLLEKL-OAHLLOKOSA-N 424.482 1.440 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2c(OC)cccc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854186743 UQDFCGXYYXBXLA-CABCVRRESA-N 401.463 1.164 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C)n(CC)n2)C1=O 1854249039 PJHHAGUKXTWDPU-MSOLQXFVSA-N 401.511 1.451 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@@H]1C 1854259160 WEMBKUDKGRAMMD-HOCLYGCPSA-N 409.483 1.224 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 1854259617 GIOQCBQVXNNHMF-RBUKOAKNSA-N 410.474 1.013 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854339298 RRDFPTZHWZFNHE-ROUUACIJSA-N 405.462 1.085 30 10 HDEE C[C@H]1CN([C@@H]2CCS(=O)(=O)C2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1854739870 GRAUDKAZBPMHGB-WMLDXEAASA-N 424.482 1.770 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@H]1C 1854751729 QIGNBTUGBICMPS-MSOLQXFVSA-N 419.547 1.723 30 10 HDEE COc1ccc(CC(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1C 1854998081 MEKINADDPUDNKT-ICSRJNTNSA-N 412.534 1.984 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(=O)n1 1855009892 KMOQJGJIEIRSOC-ZWKOTPCHSA-N 411.506 1.394 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855187400 XPLZJEAFGGVRNT-RHSMWYFYSA-N 402.428 1.873 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855204783 MITKEYUZKQYRSY-HKUYNNGSSA-N 403.523 1.574 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc3n(n2)CCCC3)CCN1CCOc1ccc(C#N)cc1 1855923397 KOBBTNFPPAQRMC-INIZCTEOSA-N 407.474 1.843 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1856149564 AWJQEFNXAOEHRU-OAHLLOKOSA-N 400.458 1.053 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)CC2=O)cc1OC 1856554302 YWTYVOHAVFSGFN-GDBMZVCRSA-N 414.462 1.030 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)Cc2ccccc2F)c2ccccc21 1856900884 UARLBBVXIYYKDO-UHFFFAOYSA-N 401.419 1.991 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)C1 1857017422 VYTURFOEWTXUSR-IRXDYDNUSA-N 409.490 1.597 30 10 HDEE Cc1cc(C)n(CCC(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c(=O)n1 1857198526 LBLJHSGRPWWEII-ROUUACIJSA-N 411.506 1.251 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ncoc2C2CCC2)C1)[C@H]1CCN(C)C1=O 1857270649 PSMZODWSEHKEBF-HOCLYGCPSA-N 400.479 1.650 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN3CCCC3)OCC(=O)N2C(C)C)cc1 1889241714 QEOJNCDHJNGCHM-FCHUYYIVSA-N 413.518 1.588 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(O)CCOCC2)[C@H]1c1ccc(C#N)cc1 1889326120 KAPDEHGKUZHPLL-RTBURBONSA-N 417.531 1.609 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@@H]1c1ccc(OC)cc1 1890003623 IKZDEGZFONILSF-YADHBBJMSA-N 415.534 1.834 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2217454213 RRKGORCQCDPDNO-CABCVRRESA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243493019 QBLLOFMBXJLXRC-RYUDHWBXSA-N 404.276 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2247249836 BVANCZFOSCZTLK-UHFFFAOYSA-N 419.287 1.234 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2247844792 HXTYZTMNHCKXHU-ZIAGYGMSSA-N 421.278 1.915 30 10 HDEE Cc1nn(C)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915890 LLSBIJUQBMKPDY-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248403136 BGWHMLOYOLVMDV-WFASDCNBSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]3(CF)CCNC3)cc2Cl)OC1(C)C 2282306447 NCYGFZWKQXULEX-OAHLLOKOSA-N 424.756 1.681 30 10 HDEE CO[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282331123 JUHGGJYZRNOBSR-SNVBAGLBSA-N 415.264 1.903 30 10 HDEE C[C@H]1C[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282345895 RWGRESJFQLVVQA-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282492757 QJJVLZXXJZVMLY-NSHDSACASA-N 415.264 1.903 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1CCNCC1 2282493834 YDRFJOWNNQVLGL-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)CCN)c(Cl)c2)OC1(C)C 2282502410 KVIHRNTVXCTDKB-VWLOTQADSA-N 422.765 1.384 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(C)CCNC2)OC1(C)C 2282507376 GSAQWUXDAUWEQK-QGZVFWFLSA-N 400.375 1.466 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282551755 LWOUQTSWRYMZTN-DZGCQCFKSA-N 405.304 1.333 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCN(C)CC1 2282829278 CGAKTRMMDQJTAR-UHFFFAOYSA-N 400.375 1.682 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)S1 2282840319 GBWHKCAOPSVHBY-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(O)CCC2)c1B1OC(C)(C)C(C)(C)O1 2282867228 VTHKIWWBEHGWFF-UHFFFAOYSA-N 401.359 1.857 30 10 HDEE CN([C@H]1CC[C@@H](O)CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282868836 SZCIFLQNQRFYBC-BETUJISGSA-N 401.359 1.971 30 10 HDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1 2284061221 CDSYGUVEFSZLOH-CQSZACIVSA-N 405.347 1.179 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3C[C@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284393489 LMWQCLYNDDQMPX-ZYHUDNBSSA-N 401.677 1.391 30 10 HDEE CCCN(CCC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284406463 YTOWQEHIKVHAFG-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C[C@@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415113 VVKQIFRCBAKXFG-MNOVXSKESA-N 401.315 1.674 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284420043 WGZGSMHGEUBSMY-WCBMZHEXSA-N 401.677 1.361 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3NC(=O)C[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284487948 QKMVMMMRVHULKE-MRVPVSSYSA-N 400.649 1.031 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](NC)c1nc(Br)nn1CCOC 2328460160 UGMIJPZGDNGBKZ-NEPJUHHUSA-N 416.320 1.864 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]2(C)CNCC2(F)F)OC1(C)C 2361532287 IAFZGJWLVDPLOT-CQSZACIVSA-N 408.301 1.323 30 10 HDEE CC[C@]1(C)[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2361946123 DOBGLZPFYACHIU-SUMWQHHRSA-N 401.359 1.971 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365196765 PVLUSLCCGPNBEB-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2365197076 SIMRVINNSYJHFT-CABCVRRESA-N 404.573 1.798 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207576 PPHUMCFMVFEJGE-CVEARBPZSA-N 402.557 1.817 30 10 HDEE COc1[nH]c(=NCc2nn(C)nc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365343554 BCXFDGKUFBIKBG-UHFFFAOYSA-N 424.108 1.314 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797370 UWWNVVOKRDBNGB-UGSOOPFHSA-N 401.481 1.294 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1 2367802753 DTYWIAVQMKOURL-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367810754 ATELNHNPKCUDPM-VCBZYWHSSA-N 400.541 1.292 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2367817400 SJGJMQACBBFDGG-CAOSSQGBSA-N 400.541 1.209 30 10 HDEE C[C@@H]1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN1C(=O)OC(C)(C)C 2367830562 JUJHODCWRMHQRD-VCBZYWHSSA-N 400.541 1.435 30 10 HDEE N#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 8115704 KGSRMKCITNVIIN-SFHVURJKSA-N 403.435 1.841 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)c1O 21319058 WUVGGLNLEYQJLL-CNHKJKLMSA-N 420.480 1.339 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 30496342 MOWJQDYFPAZLOH-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE COc1cc(-c2nc(CC(=O)NO)cc(N3CCOCC3)n2)cc(OC)c1OC 33754683 MQGZAXQWBGIQBO-UHFFFAOYSA-N 404.423 1.054 30 10 HDEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 254372542 OOKPZKSDHRRHNT-NWDGAFQWSA-N 408.423 1.953 30 10 HDEE COc1cc(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1O 254822999 CZQNHMZPTYJMNZ-UHFFFAOYSA-N 408.505 1.972 30 10 HDEE C[C@@](C#N)(NC(=O)CSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 384239710 ZJNMZQFRUMDULF-BEFAXECRSA-N 405.476 1.908 30 10 HDEE CN(CCNS(=O)(=O)CC1(C#N)CCCC1)S(=O)(=O)c1ccc(F)cc1 435583472 JHNBONQWBNBCMH-UHFFFAOYSA-N 403.501 1.450 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)Cc1ccccc1F 460610189 FRNSRUYEZUVZJC-AWEZNQCLSA-N 406.421 2.272 30 10 HDEE C=CCNC(=O)c1ccc(N2CCN(c3ncc(C(=O)OCC)s3)CC2)nc1 462943575 DJLLOCNTJVNTLC-UHFFFAOYSA-N 401.492 1.957 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 465194646 PXWSVHCCWWJPRG-PVAVHDDUSA-N 405.458 1.960 30 10 HDEE COCc1nc2n(n1)C[C@@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)CC2 466295665 FLFQQNBVTIGZOT-HOTGVXAUSA-N 412.494 1.673 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COc2ccccc2O1 474589574 MMBSLOQHPVPQTP-UKRRQHHQSA-N 401.444 1.181 30 10 HDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)o1 477318044 FFQNOKVBTWFDLH-UHFFFAOYSA-N 404.448 1.856 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 481780475 OAYDUXFNSCRVMB-FUHWJXTLSA-N 404.536 1.702 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc1 485111499 WKNCEWHIKALLPD-OAQYLSRUSA-N 401.463 1.337 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)ccc1F 488943213 QVPWBGWJSXCHCO-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc12 489244127 ZEUWKFWNMKUPKR-GOSISDBHSA-N 401.426 1.406 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508748262 QMVOKZFEWCJLIT-HZPDHXFCSA-N 417.514 1.586 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 511092529 AQKNFIHYJHRHRT-IBGZPJMESA-N 422.551 1.688 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@H]3CCCOC3)cc2C1=O 511672998 GDXVXLXZUJNEJB-WMLDXEAASA-N 400.431 1.557 30 10 HDEE COC(=O)[C@H](C)CN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccccc1 512449189 CSRTUCUQRIWPNC-TZIWHRDSSA-N 414.550 1.990 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnc(C4CCC4)n3C)CC2)o1 514125366 UKIWFPJOJWMGRQ-UHFFFAOYSA-N 401.496 1.692 30 10 HDEE Cc1ccn2cc(CNC(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)nc2c1 520901368 GGTLUUMYSRGUQM-UHFFFAOYSA-N 400.402 1.350 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(c2ccnc(N(C)C)n2)CC1 525483899 AIDHRAMOQQQITL-UHFFFAOYSA-N 409.494 1.413 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 546697313 IWGZLAKTSCXLDE-GFCCVEGCSA-N 424.413 1.097 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 549911864 UOLQSAMIGZCHIC-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2n[nH]c3ccc(Br)cc23)CC1 554150449 NKJKZJNNBRIZCY-UHFFFAOYSA-N 406.284 1.385 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 554927549 CAMFASSOACJFMI-QGZVFWFLSA-N 424.505 1.603 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 559258696 XNBZMHPBQJZQGD-UHFFFAOYSA-N 423.441 2.000 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCCC2 582755294 LXOHZZNETQKWRU-CYBMUJFWSA-N 402.480 1.032 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1CCN(c2nccnc2C#N)CC1 585227202 RAGZQTUNPLFTBE-UHFFFAOYSA-N 416.463 1.760 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 585355567 JDYMDZXEIIBJLB-UHFFFAOYSA-N 400.460 1.952 30 10 HDEE C[C@](O)(C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1)C(F)(F)F 586860780 QJVIAVQXQPGZJO-KRWDZBQOSA-N 401.360 1.865 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1Cl 603956026 UQOKFSUHLYQPNG-UHFFFAOYSA-N 424.954 1.921 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 611668596 NCIYFJIFSHCCOG-LJQANCHMSA-N 402.520 1.600 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1CCO 614628082 SPIGLGBWGGJALC-OAHLLOKOSA-N 409.446 1.209 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)N3CCCCCC3)s2)OC1(C)C 718834776 ATDYVZVWVOVPKB-UHFFFAOYSA-N 401.363 1.653 30 10 HDEE CCOc1ccc(C(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OCC 732679350 ZMGCKRIHMZSVOI-KRWDZBQOSA-N 400.479 1.413 30 10 HDEE C=C(COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1)C(=O)OCC 734027724 QRBPLFYTNYVTRC-CQSZACIVSA-N 400.453 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 744007219 DCUYJIXXGRWSMM-CQSZACIVSA-N 411.505 1.814 30 10 HDEE C=CCn1c(-c2ccco2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760415741 XAAKKLCETVBLOE-UHFFFAOYSA-N 404.540 1.913 30 10 HDEE CN(C)CCn1ncc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1-c1ccccc1 764503811 CTVBMBITLIRVIP-ZBJSNUHESA-N 422.489 1.368 30 10 HDEE CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)c1 771538912 KLJYTYLTVPUSDV-AWEZNQCLSA-N 401.496 1.083 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1CCN(c2ccccc2C#N)CC1)c1cc[nH]n1 772301397 LHDKYHZWYWHVTD-UHFFFAOYSA-N 424.461 1.350 30 10 HDEE C#CCN(C(=O)Nc1nnc(Cc2ccccc2F)s1)[C@@H]1CCS(=O)(=O)C1 774034425 AHBCEADOBWMUNX-CYBMUJFWSA-N 408.480 1.922 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)NCCCC)cc1)[C@H]1CCS(=O)(=O)C1 774172664 QKJYOHYFIYCGJL-SFHVURJKSA-N 405.520 1.548 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCN1C1CC1 786973974 VGYLFEYBMVWSLN-PKOBYXMFSA-N 417.460 1.838 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3cc(O)nn3c2C)n1 790104644 IDJWTDFUSHBFBD-UHFFFAOYSA-N 410.478 1.489 30 10 HDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cccnc2F)C1=O 794442923 WVUFASYZFRKJJQ-TZBHCYISSA-N 401.467 1.795 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccnc(C#N)c2)c1 795972932 WUYJPOHGPFJDFH-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE O=S1(=O)N/C(=N/Cc2nc(-c3ncccc3-n3cccn3)no2)c2ccccc21 796096345 ZPTDWLWSBRWSNI-UHFFFAOYSA-N 407.415 1.556 30 10 HDEE O=C1CC(=NNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@@H]2CCCN12 799464408 ZKQVAOFHKSEJTD-HNNXBMFYSA-N 407.452 1.542 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C 800129538 ZWBJZPAZWHYYFQ-CABCVRRESA-N 404.533 1.328 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2C[C@@H]2C(F)F)CC1 801478947 QSOBBWXECKLHMM-RYUDHWBXSA-N 420.372 1.899 30 10 HDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812096887 VQKLKYDFRDYCCU-KRWDZBQOSA-N 422.938 1.795 30 10 HDEE COc1ccc(Cn2ncc3cc(C(=O)N[C@H]4CCN(O)C4=O)cnc32)c(OC)c1 820179498 LSTUOGZAGBLXRG-INIZCTEOSA-N 411.418 1.217 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cn2c(O)nc3ccccc3c2=O)cc1 917036797 ZMJZSSJDOSBOPK-KRWDZBQOSA-N 420.425 1.178 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)C[C@@H]1CCS(=O)(=O)C1 926572178 CEWNTPLKFMKGNT-CABCVRRESA-N 408.476 1.698 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cn(CCO)nc1C1CCOCC1 1118797782 SJTQWPVDDZPERI-UHFFFAOYSA-N 421.461 1.783 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1128694109 PKBLWUIAFUMYRZ-ZIAGYGMSSA-N 422.448 1.953 30 10 HDEE C[S@@](=O)CCN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136899808 MNNXVTXEXHYREG-WVDZOPJMSA-N 414.572 1.486 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC2(C1)OCCO2 1137864523 XGXKKMAZLRTGST-ZBFHGGJFSA-N 421.519 1.696 30 10 HDEE C#C[C@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1141496063 LWYBYMHVOCPENP-LLVKDONJSA-N 423.516 1.203 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OCC)c2ccncc2)cc1 1162045908 JNIIWUGPVHKXQC-GOSISDBHSA-N 417.487 1.970 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OCC 1176172786 KJJZWFPECUQFTB-CQSZACIVSA-N 400.435 1.539 30 10 HDEE CC(=O)N1CCC(N(Cc2cncs2)S(=O)(=O)c2ccc(C#N)cn2)CC1 1211960598 SDQSBTXFMXYEOO-UHFFFAOYSA-N 405.505 1.612 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1213276294 NJVHUSOIJFCZDP-VIFPVBQESA-N 407.261 1.394 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)nn1 1221867991 IRCHYMVHYFXQBZ-GOSISDBHSA-N 411.510 1.161 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1230269567 LHBGXQYEIGALNC-HOTGVXAUSA-N 408.499 1.064 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1286314768 RGCHQRHZORNEAE-QZTJIDSGSA-N 422.599 1.756 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286318808 BPGKSGGVXAIBBZ-UHFFFAOYSA-N 423.565 1.832 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1286404362 QVRLHWPKZYXQSS-QFIPXVFZSA-N 409.490 1.102 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2c(C)cccc2C)CC1 1286469307 DCKOHSANNNTULK-UHFFFAOYSA-N 424.549 1.867 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286664618 ZBQUYRPABVWIJU-ROUUACIJSA-N 403.527 1.679 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286819013 WQXVRVUEISXFNW-RDJZCZTQSA-N 405.524 1.945 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1287129570 XBJJCPLLGSFLKK-QFIPXVFZSA-N 423.521 1.681 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1288100076 PDIURHJVQGSCLC-LIRRHRJNSA-N 400.462 1.317 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3ccc(C(=O)OCC)cc3s2)C1=O 1288434825 BCNJUXBYHQMNEX-UHFFFAOYSA-N 416.415 1.388 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1289361616 IXILUZADQBNOAU-QRQCRPRQSA-N 417.506 1.988 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2OCCC2(C)C)CCOC1 1296662234 BJXYNNZRHIPMFB-RZQQEMMASA-N 405.499 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300307327 DYVARBXNZHEVGR-HZPDHXFCSA-N 418.519 1.722 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1300380972 KWUQZFAMUWWHMC-DLBZAZTESA-N 408.572 1.366 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(C)CCC)C1 1300410526 ODSRIYPKZCEXBV-QZTJIDSGSA-N 407.584 1.762 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1CC1(N2CCOCC2)CC(OCC)C1 1300531530 DCFNADFUFFHFOT-UHFFFAOYSA-N 411.550 1.888 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC 1300597490 JRUNGOJTGDOGMB-UHFFFAOYSA-N 402.886 1.457 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C1CC(C(C)(C)C)C1 1300654298 WAHLBEOSPCACQJ-QQFBHYJXSA-N 411.572 1.972 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(C2OCCO2)c1 1300671038 ALQAGEUSHNJPTA-IBGZPJMESA-N 412.490 1.962 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1300671058 AXRLCCZZQSTYTP-INIZCTEOSA-N 424.505 1.812 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C)cc(C)c2)CC1 1300698096 NBCHIYSMOJTNAU-HXUWFJFHSA-N 406.534 1.844 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301173542 HVAFSIQPCSNUSP-PMRDEQMMSA-N 411.572 1.842 30 10 HDEE C=CCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301474332 ZWLZXVXDVNZCSN-WIYYLYMNSA-N 405.543 1.806 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(O)cc2)C1 1301558803 YYRCPXNECZLYBP-AEFFLSMTSA-N 418.519 1.715 30 10 HDEE Cc1ccc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1302177572 GUAZQUZTKWJIQJ-IBGZPJMESA-N 412.515 1.454 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NC(C)C 1302292699 BLDOHSBAGPCKOQ-KNBMTAEXSA-N 404.515 1.657 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)Nc1cccc(CC#N)n1 1303021000 ZTRXRESVRXYEOI-HNNXBMFYSA-N 401.467 1.992 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1307584150 UIKFEUNNIDXKMN-MRXNPFEDSA-N 400.442 1.158 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OCC)c1 1309845438 RETVUECNUZQZBE-DOTOQJQBSA-N 410.492 1.382 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1310960536 LUORMJNUQGOLDQ-INIZCTEOSA-N 409.508 1.166 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1313042857 JEDHJOKUUNMRIZ-IBGZPJMESA-N 416.503 1.003 30 10 HDEE CNC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315046442 APTCJASAIRROIA-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315827957 ZVXFWTVDVVKQFU-KRWDZBQOSA-N 416.457 1.382 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1316285420 OTUROYUQSJWMBT-QWBLEMITSA-N 411.503 1.355 30 10 HDEE CSC1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1316412475 MLSOAVIDHPVCIF-JKSUJKDBSA-N 406.556 1.686 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1 1319488911 HTNLMDSGLJLVQO-PMACEKPBSA-N 415.490 1.912 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cc(CO)nn1 1358944198 KIIVVHPCIFWCLS-UHFFFAOYSA-N 411.466 1.206 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc2c[nH]nc2c1)[C@@H]1CCS(=O)(=O)C1 1358963381 GXVYMEHPKMLCKL-QGZVFWFLSA-N 412.519 1.586 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963538 JVWISHBEZZNQEP-HNNXBMFYSA-N 412.581 1.379 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1=CCCOC1 1358978837 WEBUMMOLVWHVMA-UHFFFAOYSA-N 417.517 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C 1358986833 IROYSUNBIWDLCN-UHFFFAOYSA-N 417.311 1.977 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C1CC1 1359293940 FKIUWYCCVDMRPC-UHFFFAOYSA-N 403.508 1.640 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1359342501 ZDFWRDCLFLRVHD-CYBMUJFWSA-N 418.489 1.833 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCCC2)CCOC1 1360339179 RROOJJRFGAZSRR-WOJBJXKFSA-N 406.506 1.856 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)cc1 1436602832 ALHHEJCHRRRMKQ-MRXNPFEDSA-N 404.426 1.901 30 10 HDEE CSc1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c(O)n1 1441629744 JCKKNFXDSZDIDM-KGENOOAVSA-N 421.504 1.969 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1443515254 IIBGHHUPRJVZMM-UHFFFAOYSA-N 421.563 1.602 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C3(C#N)CC4(CC4)C3)ncnc1-2 1443586698 YWODLGLMTMOXAK-UHFFFAOYSA-N 404.272 1.111 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2 1445634282 VTFHCMYNQSDUGD-KGLIPLIRSA-N 406.487 1.443 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)CC[C@H]4C3)C2)C1 1446212382 SALXCSQNXHPXDD-AQZMIJIOSA-N 402.495 1.606 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N(CCS(C)(=O)=O)C1CC1 1446258116 MBVUHVKBQPJOEW-HNNXBMFYSA-N 401.529 1.999 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](c2ccccc2)C1 1451487675 XWVRKSUATFLCLX-GOSISDBHSA-N 412.515 1.678 30 10 HDEE C#CC[C@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1452142060 AQQARTYYOGIZGF-HRAATJIYSA-N 406.527 1.358 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)s1 1453739991 HQSMHVYTHCWCOS-CYBMUJFWSA-N 413.565 1.518 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(O)c2c(n1)CCOC2 1455077306 XRSDKXCBQNYWIC-ZDUSSCGKSA-N 412.874 1.907 30 10 HDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1459713232 AXKAOHWSAQBLCP-FXAWDEMLSA-N 418.513 1.842 30 10 HDEE CN1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)CC1 1462468294 OHYNJPWLFCRHRQ-HXUWFJFHSA-N 417.513 1.979 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]n1 1466737712 RTAKMSMGLNFPRC-SMDDNHRTSA-N 405.455 1.854 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CC#CC)NC(=O)OC(C)(C)C)n1 1467715578 JZXSWWRDMMIYIW-SFHVURJKSA-N 402.495 1.798 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC(OCc2ccc(Br)cc2)CC1 1470094822 OCDBZTKZWPYHRQ-UHFFFAOYSA-N 409.284 1.779 30 10 HDEE CCOc1ccc(N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)nn1 1470402501 GFNGYAGSJQOCBE-UHFFFAOYSA-N 403.446 1.895 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1470737434 CIJBPXSVIPIUSR-AWEZNQCLSA-N 418.471 1.970 30 10 HDEE COC(=O)C1(C2(O)CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)CCC1 1471191492 KUGYGKAIRACMAD-UHFFFAOYSA-N 401.463 1.947 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCC[C@H]1C#N 1473707009 GXUAVVXGZLZTMU-YJBOKZPZSA-N 406.508 1.270 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493950105 IKXOTTMQOWQTJR-GFBZJKCLSA-N 400.483 1.892 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c(OC)n1 1504265176 FFWGNSNQYAVRBG-UHFFFAOYSA-N 419.445 1.213 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1504387182 GXLACZYAQRIHGU-HNNXBMFYSA-N 419.445 1.225 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCO1 1504995143 POUGSEOOXWPYGM-RYQLBKOJSA-N 404.515 1.358 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1507535836 ZSAGFUFKRTUBRM-LBPRGKRZSA-N 400.464 1.096 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCCCS(C)(=O)=O)CC1 1507730898 YELDYMOQIHFXOJ-UHFFFAOYSA-N 409.600 1.837 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2conc2COC)CC1 1507736332 IPVSKEISZZURPR-UHFFFAOYSA-N 423.477 1.422 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCOC)C1 1507753337 FGJDFYISJDCOLA-HOTGVXAUSA-N 407.540 1.227 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C(N)=O)nc1 1507765040 QIOUWLFVHPPKST-QVKFZJNVSA-N 412.494 1.536 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccccc2F)C[C@@H]1C 1508094982 RHPXBTPPTKHCMX-INIZCTEOSA-N 416.501 1.971 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N[C@H](C)CC)C1 1508109297 PZGWLXNFGRERJZ-IAGOWNOFSA-N 418.542 1.600 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1510079045 DKJHMEPHYZQHBN-JXFKEZNVSA-N 421.505 1.940 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C 1512357367 BKZRDYXHUFDXJK-KXBFYZLASA-N 407.522 1.824 30 10 HDEE CN(CC(C)(C)C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1517080931 FEEIUYSDQJAJDY-VLGSPTGOSA-N 412.498 1.687 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)c1 1518827461 QXVJJKBBPXDHPM-NJYVYQBISA-N 423.513 1.555 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1527082179 LGNCOXVBCSCIJK-BXUZGUMPSA-N 417.516 1.598 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)c(F)cc2OC)C1=O 1529369000 VFJFATHHJLIJOA-UHFFFAOYSA-N 414.187 1.512 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)COc2ccc(C#N)c(Br)c2)C1=O 1537931329 MCNNPAOUFDGOHS-UHFFFAOYSA-N 423.267 1.536 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539044426 ASBUXWILIAMBQY-IAGOWNOFSA-N 421.505 1.976 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539088960 BYTKMTDQGZUWLY-QGZVFWFLSA-N 409.494 1.643 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCCC1(C)C 1539161737 LDBBTHLHVPFZPC-OAQYLSRUSA-N 406.494 1.931 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539222318 VMBGOTGAMOYOIP-FUHWJXTLSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)noc1C 1539259216 BDQZYVDPKYKGNL-UHFFFAOYSA-N 406.446 1.986 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccccc1F 1539272112 STMIFOVNCPHKRQ-UHFFFAOYSA-N 416.460 1.906 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1539318784 XZOHBMPBHITTBQ-GOSISDBHSA-N 418.501 1.948 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccsc1 1539392746 WNBPXBKRLRXOIX-HXUWFJFHSA-N 417.535 1.569 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCCCN2CCN(CC)CC2)CC1 1539429750 CIGUCTHVVNSATB-UHFFFAOYSA-N 401.603 1.574 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCSCC2)CC1 1539467240 PVRTXZPTZZQVLO-UHFFFAOYSA-N 404.584 1.416 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN(C)CCCOC 1539532894 FLWVIBVPWAZLCN-OAQYLSRUSA-N 402.543 1.475 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 1539557091 LIRROAQLWOTQKZ-LVCYWYKZSA-N 419.595 1.904 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1540857217 GNMGONARZPPNKJ-OAHLLOKOSA-N 400.508 1.876 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)OC)CC1 1540899121 DSNVTQMFIVCHOA-UHFFFAOYSA-N 422.507 1.837 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)c2S1(=O)=O 1540981187 WEKOSFDZDFUGHH-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 1543259937 IXMSCZVXSGQYPN-CQSZACIVSA-N 417.428 1.916 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1543318144 RAJZABNAKDNSMD-SJORKVTESA-N 409.485 1.119 30 10 HDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555470072 XPJHSTUIJGJIQC-INIZCTEOSA-N 411.466 1.191 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CCO1 1555994286 VZJMCLPDTRVHHF-WBVHZDCISA-N 423.539 1.258 30 10 HDEE C#CC[C@H](NC(=O)COc1c(Br)cc(C#N)cc1OCC)C(=O)OC 1556971390 XCHIQXMJGGDAQC-ZDUSSCGKSA-N 409.236 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(Cc3nc[nH]n3)CC2)CC1 1557366832 JMVMGOGATAQYRV-UHFFFAOYSA-N 402.499 1.099 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 1557988534 QDJHYZGHBYSHST-UHFFFAOYSA-N 402.451 1.904 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OC 1561929259 MPCWCVGDFYFNLL-OAHLLOKOSA-N 404.529 1.772 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 1565668486 JYOSLWGKGHCXQQ-SVGDTCPJSA-N 404.492 1.369 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)CNC(=O)C4)C2)C1 1566170226 OMRSYGZOLMGNKA-BXFSZVDSSA-N 416.522 1.902 30 10 HDEE Cn1c(O)nc2ncc(-c3cccc(C(=O)N4CCN(C(=O)CC#N)CC4)c3)cc21 1566317727 GWVDJPSBQVPTLR-UHFFFAOYSA-N 404.430 1.539 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1568429658 WVGMXYSIILVCKC-HZPDHXFCSA-N 413.540 1.320 30 10 HDEE C#CCN(CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1583559445 ZPNGFFAKZBEVNN-CVEARBPZSA-N 414.524 1.051 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)CCS2(=O)=O 1586023656 ZSVYOQJIYZZMEJ-PAJWEWNKSA-N 416.499 1.677 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1587520015 FJNSKILLYDQCKR-UHFFFAOYSA-N 418.450 1.737 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CC(C(=O)OC)=NO2)C1 1587623631 FDJFEGCHPSOYCP-SGTLLEGYSA-N 415.874 1.943 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1587894125 NVYVWPAYBRFRLB-WMQCIHAUSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1587904405 GMSYARBCOHIFSZ-KRWDZBQOSA-N 411.510 1.352 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccccc2)CC1 1587970195 RBTLCNQPEYGJRS-UHFFFAOYSA-N 418.549 1.960 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588024657 ISNZTZJULWRWAU-BRWVUGGUSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1588053121 BFBJXECWOZTFDO-HZPDHXFCSA-N 410.540 1.571 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1588074804 SIZDBRQMDCSTAP-DLBZAZTESA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1588083682 IFBREOZHKXAGDN-JTSKRJEESA-N 411.481 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1588112698 ADEBWYVLRNZLRW-UHFFFAOYSA-N 405.502 1.891 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Cl)ncc3F)CC2)cc1 1588157636 DUZOSPSDJWKENR-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCc2sccc2C1 1595537618 UHGCBJPTACSKKP-AWEZNQCLSA-N 400.508 1.546 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595544991 PGFXRVNIQBSABD-MSOLQXFVSA-N 418.542 1.123 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3CCN(c4ccccc4C#N)CC3)CCC2=O)cn1 1596110782 XBUNPRNOYOXHGJ-QGZVFWFLSA-N 406.490 1.820 30 10 HDEE CC(C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1598558785 JQPKPGDNGMPZNY-LZICOFPGSA-N 424.509 1.655 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1610393176 TXXWMISICGAIBY-IBGZPJMESA-N 416.522 1.704 30 10 HDEE CC[C@H](C)c1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1613173466 UUSHJTIHOFGESK-STGLLQLASA-N 410.482 1.744 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CC(=O)OC(C)(C)C)cc1 1616861876 LOCHEQPKWMNUPS-UHFFFAOYSA-N 412.508 1.581 30 10 HDEE CN(CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1618225375 DMZBSQSTYQRELI-OALUTQOASA-N 423.521 1.875 30 10 HDEE COCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619823025 YHVPLSVEKPXTHO-SFHVURJKSA-N 411.510 1.802 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1 1621679088 NFYLXPUHOYHREP-OAHLLOKOSA-N 415.533 1.501 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1622131092 WWKBAQGNBRDJCN-HNNXBMFYSA-N 402.538 1.467 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1623969799 UCALETQTSRGCSF-CQSZACIVSA-N 402.538 1.198 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1628662474 MUVNIIWMGXIIRH-LJQANCHMSA-N 402.472 1.059 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1630757450 DXYOBMNWDKECSJ-GJZGRUSLSA-N 408.499 1.731 30 10 HDEE C[C@@H](Cc1ccccc1Br)NC(=O)CCn1cc(C#N)c(O)nc1=O 1631547595 FVSZTCMTDDNGII-NSHDSACASA-N 405.252 1.721 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OCC 1632067023 IPUYHTJAPWHCPK-HNNXBMFYSA-N 416.883 1.358 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1632218560 FEIPXDYSDZQFQB-KRWDZBQOSA-N 404.430 1.554 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1634188492 WCBXPDGFPMKYLZ-KRWDZBQOSA-N 423.477 1.565 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n(C)n1 1635416912 OEKHBLGSSCQAPY-AWEZNQCLSA-N 419.482 1.564 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1635809907 HGCLXBQCEFVUIW-SFHVURJKSA-N 422.890 1.308 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(C(F)(F)F)n(C)n1 1640313388 BMUFSZSDRQLDDU-SNVBAGLBSA-N 415.397 1.294 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@H]1CCN(O)C1=O 1641378577 ACQUZWPPEGPMLG-GJZGRUSLSA-N 421.450 1.120 30 10 HDEE Cc1cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)nn1-c1cccc(C#N)c1 1641670159 NSKAELNUPDUAST-JOCHJYFZSA-N 409.490 1.398 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(CC2CC2)C1 1647791542 CDLAXGXMZMIHNJ-MAUKXSAKSA-N 404.536 1.463 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)c1 1648287553 OHBDSZQQKZFMRU-AWEZNQCLSA-N 409.508 1.583 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1648718164 CFNYOOPYCPGESE-ZNMIVQPWSA-N 412.483 1.657 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ncccc2Br)cc1 1648793033 GIKBKONWYMPQLO-UHFFFAOYSA-N 409.265 1.310 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3ccnn3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1648844831 GZDFPXJRFCAZTR-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE COC(=O)[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCOC1 1648879881 OZBUPVUSBZTYGJ-GXTWGEPZSA-N 411.252 1.641 30 10 HDEE Cc1cc(Br)c(Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)cc1Cl 1653037009 KLDBGYQWDGGGNR-UHFFFAOYSA-N 412.671 1.955 30 10 HDEE COc1ccc(N2C[C@@H](NS(=O)(=O)Cc3cc(C#N)ccc3F)CC2=O)cc1 1664366187 GFXOVACKTCAYDT-HNNXBMFYSA-N 403.435 1.931 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1668209938 HNNXBIFIMHNAQP-FQEVSTJZSA-N 415.538 1.521 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@](O)(CC#N)C2)CC2(CCOCC2)C1 1675993078 IPLIXZSKBCSGKT-IIBYNOLFSA-N 422.526 1.853 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@@]4(CO[C@@H](C)C4)O3)CC2)c1C#N 1676159403 CGWSHGYRTUBUQU-DKICVRJWSA-N 402.499 1.158 30 10 HDEE C=CCC1(C(=O)N2C[C@H]3C(CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)[C@@H]3C2)CCOCC1 1678898809 UAVFXSMRHOWMIV-YZQIGWGISA-N 400.519 1.603 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ncccc2C#N)CC1 1684560184 CLWYEYBJMUVDHV-HNNXBMFYSA-N 409.450 1.303 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1687206509 UHIFFAFDNVCEHU-HNNXBMFYSA-N 403.508 1.012 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1689937409 ZAIMNDUYXSMNEN-FQEVSTJZSA-N 411.554 1.854 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689940716 BESLKVJYZLVABS-DYESRHJHSA-N 401.511 1.543 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1689961060 JXRYEFPVDJSSCE-JOCHJYFZSA-N 406.490 1.905 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689982274 KHHPSYXRYVQAJP-HXUWFJFHSA-N 415.563 1.735 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689985792 BNFRPZHBKBIVDC-ROUUACIJSA-N 415.519 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1690000273 XQAIMMAEWVGEOF-QGZVFWFLSA-N 424.892 1.213 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)C1CC1 1690039705 PVVGHGUNBMVGCY-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1690066823 NRSSAMISZPFDOD-IEBWSBKVSA-N 422.493 1.432 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N(C)CC)CC1 1690119355 BLRUODZZRQBXRO-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1690235630 BTKFPUGHCSYDIG-MHORFTMASA-N 421.542 1.638 30 10 HDEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)CC1 1690411816 VHVYBVYIDXSYTM-UHFFFAOYSA-N 424.553 1.943 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)CC1 1690496900 BMCRRRVSSUGTJN-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1690518567 OFLFZFQRBQJGNU-UHFFFAOYSA-N 405.524 1.743 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1690525689 OATHHLALPVWNRZ-MRXNPFEDSA-N 405.524 1.773 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690677995 HLZOJCWBLAIAFN-FUHWJXTLSA-N 419.526 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)OC 1690722443 JOIJIBLLQBVIMI-UHFFFAOYSA-N 402.480 1.729 30 10 HDEE CCOCc1nnc(N2CC=C(COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696272778 JQBDCZOOSWXZBE-HNENSFHCSA-N 416.482 1.124 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1696918716 FWVLDURVSMCLEU-FQEVSTJZSA-N 405.466 1.071 30 10 HDEE CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697004786 IBECHNTYMHHFGH-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE CNC(=O)CCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1697010814 YMCCULIIHTVYHS-UXHICEINSA-N 404.515 1.585 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)(F)F 1697022679 BCHHYWXMPYZEJI-UHFFFAOYSA-N 416.429 1.755 30 10 HDEE C#CCCCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1705522275 ZJTLNEGMWLAMIY-SFTDATJTSA-N 403.527 1.696 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1705548146 XKIOUZOORNVBNT-QFIPXVFZSA-N 411.506 1.738 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705660836 IOCUXLRALCOYPT-KRWDZBQOSA-N 404.584 1.340 30 10 HDEE C=CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1705809561 VLWBWSKCYFIKBV-APWZRJJASA-N 412.556 1.910 30 10 HDEE C=CCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705823707 SRMQXMUQLUQRLJ-CSODHUTKSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1705903300 SEGUULXHMGWKBV-KRWDZBQOSA-N 420.558 1.021 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2F)CC1 1705904713 VWHZEBYIKIBLFU-UHFFFAOYSA-N 401.490 1.640 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)C1 1705914346 LWMKLPMKDRBALD-OHZJNBGDSA-N 409.556 1.499 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1706633284 ZUPJVIQZRINBDJ-UHFFFAOYSA-N 421.505 1.542 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(C)(=O)=O)cs1 1707759198 QPYLYNVHMSMUPF-QGZVFWFLSA-N 408.553 1.809 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)cs1 1707761492 RLTYPHVDJLOOEZ-DNVCBOLYSA-N 414.491 1.863 30 10 HDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCCO 1709137430 UURWCZMCBBCMQV-UHFFFAOYSA-N 415.498 1.303 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)CCO1 1712885020 XQTAVICSHGNTJX-WDEREUQCSA-N 406.231 1.889 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722318347 NXNANVTUNJZJKT-GCJKJVERSA-N 415.538 1.978 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1722360383 GPLVHOJCONNONT-INIZCTEOSA-N 405.524 1.715 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722365923 PYDRZZKJIVGGOA-IRXDYDNUSA-N 400.504 1.780 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1722411240 AVYZQEDXPHTJHU-OAHLLOKOSA-N 418.567 1.546 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(CS(C)(=O)=O)CC1 1722424198 FSTQJLBBIANTLI-UHFFFAOYSA-N 403.508 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2nccnc2C)CC1 1722444183 GSKLTNJAJBIRJO-UHFFFAOYSA-N 409.538 1.883 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722598689 OAYNZOALZXXGGE-ROUUACIJSA-N 404.559 1.930 30 10 HDEE CC1(C)CN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1724032436 QPWYUFUQDOJWPU-KRWDZBQOSA-N 416.551 1.770 30 10 HDEE CCc1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727627715 HYWQRYMAAHQGFK-ZCXUNETKSA-N 400.483 1.516 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1nnc(C)s1 1727651577 FEHFKXDIMSSILE-OAHLLOKOSA-N 408.491 1.740 30 10 HDEE CCOCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729163037 DGZONTTYDKDMBI-HNNXBMFYSA-N 400.487 1.228 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CCO1 1729679118 GSBWHZIZIGRNPD-SJORKVTESA-N 412.519 1.664 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1729806532 AVBKTYVVDAZJNN-QGZVFWFLSA-N 409.494 1.798 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC=C 1740538037 BYVDGLIFWUDICS-CQSZACIVSA-N 401.492 1.109 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1740668410 LZIVPOWRNHWJAD-LJQANCHMSA-N 410.522 1.677 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1740674719 QYLBUXDBSQZJMZ-UHFFFAOYSA-N 411.506 1.907 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](COC)OC 1740677242 RWZKJXOQBKWKCB-QZTJIDSGSA-N 415.469 1.670 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@]2(O)CCO[C@@H]2C)n1 1740688587 XJDACPULOFMNBN-UTKZUKDTSA-N 416.526 1.424 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1740716192 NFWAIEWXCJLPJM-HNNXBMFYSA-N 424.530 1.784 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CCOCC)CC1 1740749387 UEBWFZJFPQJJIG-UHFFFAOYSA-N 402.337 1.882 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740802059 IFQXEZPBMBYWRJ-HZSPNIEDSA-N 402.952 1.314 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1740874924 LHANPVZQSCEUPJ-HNNXBMFYSA-N 423.521 1.977 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1740941166 DDYRIOCTQMLYAC-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)C1 1740981375 VSASDALJSULPRN-ILXRZTDVSA-N 409.581 1.859 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740995883 ADOFBOOXJDQFRH-AWEZNQCLSA-N 412.585 1.938 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1741652830 DLFMDYZLWBMAKQ-IIBYNOLFSA-N 416.526 1.884 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC#N 1744512695 FKERAXNFICODQL-CQSZACIVSA-N 414.514 1.492 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1748672630 VWVXCKWDGDPPJY-GVDBMIGSSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C 1748859671 JEKPRSAADYWVRH-LJQANCHMSA-N 421.501 1.853 30 10 HDEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749413311 TVCUTJZIGHXCER-HNNXBMFYSA-N 416.530 1.224 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C(C)C)C1 1749678047 UAEGKJFJTYDXDW-HNNXBMFYSA-N 406.556 1.281 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N(C)CCC(=O)NC)cc1 1749683894 JHYWEIQTJXCCRO-UHFFFAOYSA-N 407.478 1.921 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOCC(F)F 1750155359 ZGQFAYIMFIDWJJ-DZKIICNBSA-N 415.441 1.403 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1760097561 HCJPWZSJKXVSGC-SOUVJXGZSA-N 405.524 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1760118198 ZPKUVGBCQOBEAB-HOTGVXAUSA-N 402.524 1.535 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2Cc2nnn(C)n2)c1 1760127331 WODMIODMEQBNRS-AWEZNQCLSA-N 407.482 1.420 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1760210070 MJEMRGALNDHIFK-QFIPXVFZSA-N 409.490 1.005 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1760279374 AZDVWBDROOWJEE-UHFFFAOYSA-N 414.535 1.310 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760280481 FVTKOSOXRVSPHY-WMZOPIPTSA-N 400.552 1.951 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCOCCS(C)(=O)=O 1760292579 DPCFORSQRNXLKI-LJQANCHMSA-N 403.508 1.393 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760360183 UGQZPVJXJBTMGR-MSOLQXFVSA-N 403.527 1.999 30 10 HDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1760417838 JGGPZYVFXXCIJS-KURKYZTESA-N 408.506 1.901 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760449279 GAAWUFNSCQPQNP-DLBZAZTESA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1760514877 NNESENURCDSRDT-JKSUJKDBSA-N 418.542 1.456 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOCC2(CC2)C1 1760552483 PMJIPJFKBXZSHG-UHFFFAOYSA-N 403.508 1.558 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1761217142 GUTFRPSQYDZZLB-LIRRHRJNSA-N 400.462 1.317 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@@H]1CCOC1 1768575714 CPDFQRTYSWUTJU-QGZVFWFLSA-N 410.478 1.480 30 10 HDEE Cn1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CC[C@@](F)(C#N)C2)n1 1769083770 GCAKLIXNLOJDMD-QGZVFWFLSA-N 419.371 1.560 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)NC(C)(C)C 1770177287 KZZDVMXWZONQQA-ZOBUZTSGSA-N 406.531 1.903 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@@H]1C 1771113067 HWFIXMXLYVXODC-DLBZAZTESA-N 404.515 1.440 30 10 HDEE CC(C)(C)OC(=O)COCc1ocnc1C(=O)ON1C(=O)c2ccccc2C1=O 1772792049 JRKQGXLGYUBMTF-UHFFFAOYSA-N 402.359 1.901 30 10 HDEE C=CCC[C@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 1850555817 ZBZPCKOJJWSJQA-GJZGRUSLSA-N 400.541 1.987 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cn1 1853388606 NDPOZOVMJFKVHO-QGZVFWFLSA-N 406.895 1.395 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C4CC5(CC5)C4)C3=O)CC2)CC1 1853678558 OAXULQXPINZUAZ-LJQANCHMSA-N 412.534 1.778 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N(C(C)C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1853859489 PBGZNWBUZHTWFL-RBUKOAKNSA-N 417.531 1.895 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cocn3)C3(CCCCC3)C2=O)CC1=O 1853935051 FNWZXQPPKFEPHL-INIZCTEOSA-N 400.479 1.583 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnc4n3CCC4)C3(CCCC3)C2=O)cc1 1853961420 ZJQZSBMPXSSEKQ-UHFFFAOYSA-N 404.474 1.893 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)c1 1854468183 PUPSXVBFTHUDTN-GOSISDBHSA-N 415.515 1.733 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CC1CCCC1 1854684842 PMOCVGYPRSSXJG-OAHLLOKOSA-N 403.504 1.680 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CCS(=O)(=O)C1 1855232000 VGFUOXCHSGXDBU-DZGCQCFKSA-N 423.922 1.514 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCN(c4ccnc(F)c4)CC3)C2=O)ccn1 1855406189 KXRNTEDUELOQRP-GOSISDBHSA-N 408.437 1.441 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)CCC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1856267647 YMEBAYQYBIPVPQ-LBPRGKRZSA-N 410.400 1.186 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857046130 PQFUIUDQZZTPPO-IEBWSBKVSA-N 416.522 1.708 30 10 HDEE CN(Cc1cnn(C)c1)[C@@H]1CCN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1857220917 ANQYMTQREGGLHX-UXHICEINSA-N 406.490 1.239 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ncoc2C(C)(C)C)C1)[C@@H]1CCN(C)C1=O 1857228178 NGEJYRPHWYUUER-HUUCEWRRSA-N 402.495 1.680 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cn2cnc3ccccc32)C1)[C@H]1CCN(C)C1=O 1857263490 HFNCLNFFRRCGOP-APWZRJJASA-N 409.490 1.130 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCN(Cc4ccc(C#N)s4)CC3=O)cc2n1C 1857511315 FFEXAHBGIYXDIG-UHFFFAOYSA-N 409.471 1.295 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2OC)c(=O)cc1CSCCO 1870175869 MUWRUXTWCQRCMG-UHFFFAOYSA-N 418.515 1.964 30 10 HDEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870561691 YKVSTRWFQKDGQW-UHFFFAOYSA-N 411.502 1.027 30 10 HDEE CCCCCCCCCCN1C[C@@H](O)Cn2c(cc3c(=O)n(C)c(=O)n(C)c32)C1=O 1875236205 GAAJRTUOCOERPO-MRXNPFEDSA-N 418.538 1.996 30 10 HDEE CN(CC1CCN(C(=O)c2ccc(-n3cccn3)nn2)CC1)c1ncccc1C#N 1891211671 XAMNBTMMSOBRLI-UHFFFAOYSA-N 402.462 1.918 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1896906604 XYVOJLISTAPKRQ-LXTVHRRPSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1993233583 CJENYGVWBUJTNB-RBSFLKMASA-N 424.498 1.328 30 10 HDEE CN(C(=O)[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010398891 PXNKPFSMVQGRAP-MRXNPFEDSA-N 420.315 1.834 30 10 HDEE CCCCCCCCN1C(=O)C(=CN[C@H]2CCS(=O)(=O)C2)C(=O)NC1=S 2040475868 RGORHSJZXKKFEB-ZDUSSCGKSA-N 401.554 1.251 30 10 HDEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O[C@@H]1O)[C@H]1O[C@@H]1[C@H](O)[C@H]1O[C@H]12 2058696795 NDLASBSIMFTZFG-PJDUSLISSA-N 421.534 1.967 30 10 HDEE Cn1c(Br)nnc1CCNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2082793176 FAWLPFFKGKQAHT-UHFFFAOYSA-N 414.304 1.543 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2217456608 RRKGORCQCDPDNO-HUUCEWRRSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2243429885 JTDKJSQAVJCFMB-HUUCEWRRSA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2247864955 NNUXPIYMUWUOCW-UHFFFAOYSA-N 421.303 1.026 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)n1 2247914754 QCDBPYRVSIHTSX-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@H](O)C3)cc2Cl)OC1(C)C 2267355971 NUEFVGSEVVHBLS-MGCOHNPYSA-N 407.750 1.750 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NS(=O)(=O)C(C)C 2269037524 RISDXDFTJDAWPO-UHFFFAOYSA-N 409.360 1.372 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ncccc1C#N)NC(=O)OCc1ccccc1 2270523932 DPEQJIZQRPXTCH-OAHLLOKOSA-N 418.431 1.163 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CCS(=O)(=O)CCO1 2281931306 CZEKSRRBJDZBFN-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CCS(C)(=O)=O 2281957968 CJIYFJMTJQPJOU-JTQLQIEISA-N 402.347 1.304 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282195224 KEKDIKCVQYGFMJ-LBPRGKRZSA-N 401.359 1.990 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282307306 ZYACKKXSSLCISO-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N)C[C@@H]1C 2282321010 QNDAHIGDLLTXJF-AAEUAGOBSA-N 400.375 1.856 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)C(F)(F)C1 2282326786 XZHKYTBYMDDTEG-NSHDSACASA-N 409.285 1.356 30 10 HDEE CC[C@H](C)N1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282337001 CYZIULOSUZYQMC-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)OC1(C)C 2282492534 RIWINQFAULSHQM-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE COC(=O)C(C)(C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497263 NQIVTPWAAMLONT-UHFFFAOYSA-N 403.331 1.525 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCN[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282504754 TYILUGUWAREVNZ-MFKMUULPSA-N 400.375 1.693 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282539351 SJXUWQBNEVKWMY-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400749 XVAXYCNVWRUUQR-GFCCVEGCSA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@](O)(C(=O)O)C3)c2Cl)OC1(C)C 2284428059 KWJGMGAQXQWUAF-INIZCTEOSA-N 401.677 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)N[C@@H](CCS)C(=O)O)C2)CC1 2286821852 CCBUAJATYBFXIG-AWEZNQCLSA-N 401.529 1.207 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ncc(Br)cc1C#N 2312322040 GSQNMSUWIYULFH-XQQFMLRXSA-N 413.272 1.469 30 10 HDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OC(C)C 2330743738 IWSDILOYQLNYGU-UHFFFAOYSA-N 420.495 1.170 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339658194 FXCUDEYPQLEOJZ-UONOGXRCSA-N 402.538 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339658195 FXCUDEYPQLEOJZ-ZIAGYGMSSA-N 402.538 1.766 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CC[C@H](C#N)C1)[C@@H]2F 2358249241 GPGPMCRUWRBDIP-MRLBHPIUSA-N 402.492 1.545 30 10 HDEE COC1(C#C[C@@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363728464 UKKVEXXBMFJYIZ-HZPDHXFCSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(CNC(=O)OC(C)(C)C)COC1 2367795190 LKMVBYXIGUEAQZ-OAHLLOKOSA-N 400.541 1.477 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367802383 AKGTWVXVICKBRN-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367805683 DJKJIZUBSHVVBO-PMPSAXMXSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CO2 2368945298 KDVMQRDJWSDPSZ-CUYVQJCZSA-N 400.541 1.460 30 10 HDEE C=C[C@@]1(CO)COCCN1C1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2372517757 CRMQKAWWODLRTA-NFOQDIRWSA-N 418.490 1.928 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N(CC#N)c1ccccc1)C2=O 10054694 CIBOUYNDZQXWNQ-UHFFFAOYSA-N 412.446 1.587 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCn2c(=O)n(CCC)c3ccccc32)CC1 53310621 NZXQFHNATXBAFC-UHFFFAOYSA-N 413.522 1.050 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)c1 96353192 NNBWSLNWKCMVIL-UHFFFAOYSA-N 415.471 1.563 30 10 HDEE Cc1ccc(C=NNc2nc3c(c(=O)nc(O)n3C)n2C[C@@H](O)COC(C)C)cc1 254652387 ARDMAAWNUMGGBG-OAHLLOKOSA-N 414.466 1.376 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(OC)c1 409478640 HCBJVUPVFPWFJD-CYBMUJFWSA-N 412.450 1.149 30 10 HDEE CS(=O)(=O)Cc1nc(=NC(=O)NCc2ccc(-c3ccccc3C#N)cc2)o[nH]1 462282940 YQWUCGLLEWXEIW-UHFFFAOYSA-N 411.443 1.896 30 10 HDEE COc1ccccc1CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481441082 VOGAKIUKMVCCNE-HNNXBMFYSA-N 401.488 1.935 30 10 HDEE C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)CC23CCCCC3)C1=O 499551633 GPORRLYPOJEHQQ-UXHICEINSA-N 400.567 1.881 30 10 HDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCO[C@@H](C#N)C1 501891694 PHVISLCWJCJDSL-ZDUSSCGKSA-N 419.297 1.777 30 10 HDEE Cc1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1C#N 502032370 OEPCTTFHYGEIGY-RBUKOAKNSA-N 424.526 1.744 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 506052323 SYKBKAVMCSSWTO-UHFFFAOYSA-N 415.519 1.017 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCCn3nc4n(c3=O)CCCC4)CC2)cc1 507330241 PGVHZIKEWOLJBG-UHFFFAOYSA-N 424.505 1.896 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 516547200 TYMQJQXGUAXXAC-CYBMUJFWSA-N 403.529 1.664 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])c1 531909551 KTHYNPLRNFFUFX-UHFFFAOYSA-N 416.463 1.438 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 533223894 BOTFCSBSBBRGRR-UHFFFAOYSA-N 401.474 1.577 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCc3n[nH]cc3C2)CC1 540246544 FZKXKOSAEGMPEB-UHFFFAOYSA-N 407.434 1.236 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C[C@@H]3CN(Cc4ccccc4)CCO3)CC2)n1 545490062 WRNJTGKDBJOTRO-OAQYLSRUSA-N 405.502 1.893 30 10 HDEE CN(CCC#N)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 549522407 DMMNMRWZNWNFFZ-LJQANCHMSA-N 406.552 1.595 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 553241144 QDQYXCDBLWXSAF-QGZVFWFLSA-N 414.487 1.610 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 558797963 YPBONBQGGMFEGI-INIZCTEOSA-N 416.503 1.993 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)CC1 567630587 DPZNEABOKOEMJF-SFHVURJKSA-N 405.466 1.840 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(S(=O)(=O)CC3(C#N)CCC3)CC2)nc1 568564815 CUKWAFBMAAPGEK-UHFFFAOYSA-N 406.508 1.794 30 10 HDEE C[C@@H]1C[C@@]2(CCO1)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](C)O2 580264667 JGUCVGKZCPCIRG-CLCXKQKWSA-N 407.492 1.022 30 10 HDEE N#Cc1ccc(NC[C@@H]2CCCCN2c2ccc(=O)n([C@@H]3CCCC[C@H]3O)n2)nc1 585613038 WQRHPROEZBVXLQ-IPMKNSEASA-N 408.506 2.457 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NCC(C)C)nc1C 586303539 LXCPYZIRPZXATM-SANMLTNESA-N 401.510 1.254 30 10 HDEE N#Cc1cccc(Cn2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2=O)c1 586552207 ICPFWIZQSJJTNU-UHFFFAOYSA-N 422.466 1.346 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 614902985 RZGYZKYHADIILN-INIZCTEOSA-N 400.475 1.956 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)[C@H]1CCS(=O)(=O)C1 729334711 BNMRBBNVIPJNCF-HNNXBMFYSA-N 405.451 1.766 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730141883 LPXPXKAZNLZJFV-HNNXBMFYSA-N 412.943 1.986 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C1CC1 732701109 KUOFNNQOKGQHJX-KRWDZBQOSA-N 401.486 1.669 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 733201715 LYYYWMMCCOSPOT-HLGQQVFSSA-N 401.536 1.015 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@H](C)c3ccccc3)c2=O)cn1 735069387 TXPZSQABDHEQGR-OAHLLOKOSA-N 421.526 1.375 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)CC1 743140484 SLRFDPGGYPZOIG-UHFFFAOYSA-N 405.474 1.114 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 748402266 JWLVJWWLAFOXMG-CYBMUJFWSA-N 413.455 1.649 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 751730280 ZLHGJNYKPZEQNG-SECBINFHSA-N 408.336 1.614 30 10 HDEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 752150400 YHHCOJXCGOZPBH-UHFFFAOYSA-N 416.499 1.359 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(Cl)c(F)c(Cl)c1 756095835 BNQQFMGTVRAEQF-YPKPFQOOSA-N 415.208 1.714 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCc2nc(-c3ccncc3)no2)C1 756879742 BLENMIORFPNMKO-CABCVRRESA-N 412.450 1.939 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCF)C1=O 767735189 RDJKSDWBSRQDOE-INIZCTEOSA-N 424.498 1.774 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)C(=O)c2nccn2C)cc1 770872220 XPLVRFLOCFEIMS-MRXNPFEDSA-N 418.475 1.421 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 774193839 ABYYRPBMRDIYQZ-YJBOKZPZSA-N 409.939 1.998 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 780475515 JFWUMHWFJSKHEK-UHFFFAOYSA-N 423.454 1.531 30 10 HDEE CC(Cc1ccn(C(C)C)n1)=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 782902324 AAUREJDAPUAZJL-UHFFFAOYSA-N 419.555 1.826 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCn3c(O)nnc3C2)cc1OC 783710604 RSENJHASZXVRLZ-UHFFFAOYSA-N 403.439 1.564 30 10 HDEE Cc1ccc(NC(=O)NCCNc2ncccc2C#N)cc1C(=O)N1CCOCC1 786120544 LFQHQQCKWCHMLI-UHFFFAOYSA-N 408.462 1.968 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCNC3=O)c2C)cc1C#N 787526499 DPJIFINUFNDHGV-UHFFFAOYSA-N 407.430 1.660 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H](C)S(=O)(=O)c2ccc(F)cc2)n1 788821310 SVOJIPFLTFUOJO-MRXNPFEDSA-N 421.494 1.883 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2ncccc2O)c1 791767080 FJCCHHHYTXPUBL-XLNRJJMWSA-N 403.464 1.922 30 10 HDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC(=O)COc2ccccc2C#N)CC1 792085316 MPSZDKKIEVRHEM-UHFFFAOYSA-N 423.491 1.783 30 10 HDEE COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(C)cc1F 794029114 LORHHISYFWPTCO-UHFFFAOYSA-N 423.426 1.153 30 10 HDEE N#C[C@H](C(=O)/C=C\Sc1cc(F)ccc1F)C(=O)N1CCS(=O)(=O)CC1 797949566 XHSZTFIEYMQMBX-GCLPIYDQSA-N 400.428 1.536 30 10 HDEE Cc1ccncc1N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 798455210 GCEWVSSUFIQHGZ-IAGOWNOFSA-N 414.510 1.981 30 10 HDEE C=C(C)CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 803258713 NIXCCZZQLJPANE-UHFFFAOYSA-N 424.519 1.667 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(COC2CCOCC2)c1 1116129479 YEYVTFKLUCZUEC-QURGRASLSA-N 413.474 1.915 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 1130018907 UNJMSCRXBASFNZ-MRXNPFEDSA-N 423.477 1.987 30 10 HDEE N#Cc1cccnc1NCCNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 1136424032 HHADZEGQWYVCDT-SFHVURJKSA-N 409.494 1.512 30 10 HDEE C=CCN(C(=O)CCC(=O)N1CCC(O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1138239400 ZVVFGHZQQVDUPH-FQEVSTJZSA-N 416.518 1.939 30 10 HDEE C#CCN(CC(=O)NCc1ccncc1OC[C@H]1CCOC1)C(=O)OC(C)(C)C 1141687569 QMHCZDHLPUATQS-INIZCTEOSA-N 403.479 1.983 30 10 HDEE CON=Cc1ccc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1146193902 RXUSLUSKUUCHKS-UHFFFAOYSA-N 416.503 1.459 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1147283709 PRGIFRQRYHHFIU-IBGZPJMESA-N 413.518 1.262 30 10 HDEE C#CCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 1154678574 HMKMIANTMYXNHD-QFIPXVFZSA-N 405.498 1.814 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(C(=O)OC(C)(C)C)n[nH]3)CC2)c1C#N 1160237247 SYFAWLCWNNJAOI-UHFFFAOYSA-N 402.480 1.964 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(N3C(=O)CCC3=O)c2)c1 1161909486 YCPOPMXWCKUGQL-UHFFFAOYSA-N 412.427 1.129 30 10 HDEE Cc1c(C#N)c(NC(=O)CNC2(C(N)=O)CCOCC2)n(-c2ccc(F)cc2)c1C 1195917476 BKLPIZDYKDBLEN-UHFFFAOYSA-N 413.453 1.668 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ncccc2Br)n1 1211731551 SHOVRGWKPFZCPF-UHFFFAOYSA-N 413.297 1.511 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1)C1CCOCC1 1231332894 UWAPJFQTVJWQAK-WBVHZDCISA-N 405.499 1.423 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1254608765 RJQQYIHDYITXGZ-GOSISDBHSA-N 422.551 1.822 30 10 HDEE Cc1cccc(NC(=O)CSCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1264321048 BQUSFGUETPRELE-UHFFFAOYSA-N 414.491 1.737 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1267720236 DRYAVZWNNNYSPV-CYBMUJFWSA-N 405.417 1.868 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286322439 FATODHUDOHKVAT-RCCFBDPRSA-N 405.568 1.657 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286376638 HPTBZJVBDBBJRJ-HKUYNNGSSA-N 422.512 1.679 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286386389 ZGZZXXQPDBUMLV-KGLIPLIRSA-N 422.473 1.996 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1286390247 ZDVMOVDLBSQUAR-MRXNPFEDSA-N 403.508 1.312 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccs1 1286459183 LNVGJQYGWRZMBI-UHFFFAOYSA-N 413.507 1.256 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1CCS(=O)(=O)CC1 1286469310 RZMAQOQJEXYFMV-UHFFFAOYSA-N 422.576 1.841 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1286509399 PRWFEORJHVZJDJ-QGZVFWFLSA-N 403.552 1.597 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O 1286562807 TUSHYVBTCQYUCE-GOEBONIOSA-N 408.528 1.240 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286690847 WVVDNGYBAIRGQJ-KRWDZBQOSA-N 417.558 1.125 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286771089 WWUMWJUMRACFKB-OIISXLGYSA-N 400.508 1.818 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286820342 JWFBXBVJONMHCL-MRXNPFEDSA-N 422.555 1.370 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2c(CC(N)=O)cccc2C1 1287720846 HCZBCYJPUDGKKB-UHFFFAOYSA-N 416.485 1.763 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCCCC1 1288124796 FOFOERKHWIGVGN-NRFANRHFSA-N 415.542 1.949 30 10 HDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1289237742 GZYRIQICPDHJGU-UHFFFAOYSA-N 415.504 1.260 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCO[C@@](C)(C#N)C2)C1=O 1289341895 ZSGMIWKIWQEIDE-ROUUACIJSA-N 408.817 1.387 30 10 HDEE CCN(CC)CC[C@@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1297141316 XXVKORUPFKKNLA-KRWDZBQOSA-N 423.355 1.966 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2)c(F)c1 1300506120 MZHLEEGJYDXCCJ-UHFFFAOYSA-N 419.464 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1300523240 YTQWSNIUKRZBBR-HNNXBMFYSA-N 412.471 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)nn(C)c1C 1300595496 CIJXDQCMAJNXFG-ICSRJNTNSA-N 410.522 1.864 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301194704 ODRLTLYIOSEKPY-KRWDZBQOSA-N 404.515 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301491450 RAEUBAKTCNUVGR-OAHLLOKOSA-N 415.498 1.301 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCCC2(C)C)C1 1301554365 FKUSTLCGCUFNJO-XFQAVAEZSA-N 403.527 1.952 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCOC2)C1 1301566978 REVTUCKPMJQWKJ-UGKGYDQZSA-N 414.506 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C#N)CC1 1301587962 ZFTRKLHHFVDENK-UHFFFAOYSA-N 400.508 1.605 30 10 HDEE Cn1ncc2c1CC(C)(C)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1301603641 MDDQSFCBDLYGNF-UHFFFAOYSA-N 400.504 1.818 30 10 HDEE Cn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2cc(S(N)(=O)=O)ccc21 1307260989 NKQYRFZOXCTDIR-UHFFFAOYSA-N 401.473 1.823 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1309506062 OLBOVBIMMJJSKX-MNOVXSKESA-N 408.245 1.997 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CCOCC1 1309662547 ZIMJYWKUIJOUJP-UHFFFAOYSA-N 417.549 1.904 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CC2)cc1 1312373476 BVNYURDMDCBWMK-FXAWDEMLSA-N 418.519 1.126 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1312625754 KJKCMXJOAAWYPP-OLZOCXBDSA-N 420.338 1.517 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)C2 1313190816 NVFLWSRWEWKEIQ-VXKWHMMOSA-N 418.497 1.795 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1313966636 FYFYNTVHGLKZPS-KRWDZBQOSA-N 424.505 1.978 30 10 HDEE COCCOC[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316256075 ANPXJOXVYFDENB-HOTGVXAUSA-N 401.467 1.784 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2CCC(=O)NC2=O)c1 1319324742 OGRRKEFOKMJFQX-INIZCTEOSA-N 422.466 1.824 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1354813796 YANBROHKAVFTTF-FQEVSTJZSA-N 416.522 1.435 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 1355635248 JICAGNHKSJZUOZ-HXUWFJFHSA-N 416.522 1.781 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC(F)F 1358976134 RNZNIFZDXBYKQL-UHFFFAOYSA-N 410.428 1.891 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1359111945 SXSGXSBQSMHRNO-QZTJIDSGSA-N 403.575 1.658 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1359244525 HOEMMVANFOTORY-UHFFFAOYSA-N 405.524 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359297482 SAMYVRSEVMAIIM-DOTOQJQBSA-N 424.505 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](c2ccnn2C)C1 1359335416 LCOZBNVNCXOBLQ-MRXNPFEDSA-N 422.555 1.533 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359336099 FMQXZDKFHVUOQG-LSDHHAIUSA-N 406.556 1.393 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359735300 JXDZGCOTVBIQOJ-VFAFWLKOSA-N 414.510 1.933 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CCN(Cc3ccccc3)CC2)C1=O 1438117681 FHFASXSWMMIOEB-UHFFFAOYSA-N 412.490 1.382 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)cc1I 1438604601 XSOYVTNLWUOQSQ-UHFFFAOYSA-N 402.188 1.829 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1c(I)n[nH]c1C 1442745394 CIKCNNOKEYHBGH-UHFFFAOYSA-N 408.199 1.938 30 10 HDEE N#Cc1cn(CC(=O)NCc2ccc(C(=O)Nc3ccc(F)cc3)cc2)c(=O)nc1O 1445997159 FOXLKBFMGJNMIA-UHFFFAOYSA-N 421.388 1.528 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1452755221 HOMFSSHPBIQCMV-SUMWQHHRSA-N 414.487 1.118 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(Br)c(Cl)c3)C2)c(=O)nc1O 1457199708 KWVGEVSDNKHBRZ-UHFFFAOYSA-N 423.654 1.862 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1Cc2cncn2C1 1468260050 KSRYLYXTMVOGJM-AWEZNQCLSA-N 401.492 1.223 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@H]1CCC[C@@H]1C#N 1471051518 SLBVRGGVEKKHQK-RISCZKNCSA-N 400.298 1.878 30 10 HDEE COC(=O)[C@H](c1cccc(C#N)c1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1473503218 FGAGOQGXQZCSMH-IBGZPJMESA-N 416.503 1.488 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1C(F)(F)F 1475375332 FWEOLUGAYATYMI-ZIAGYGMSSA-N 424.422 1.154 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OC 1475685919 LDCYHBAISFQYQI-CYBMUJFWSA-N 408.473 1.373 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 1476106303 RCQXVIOWNPLOJJ-UHFFFAOYSA-N 420.535 1.005 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1478650709 CSRPFGVQAAADQL-UHFFFAOYSA-N 406.508 1.409 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C1CC1 1478786091 JNGKUPZPISMDBE-MRXNPFEDSA-N 405.449 1.683 30 10 HDEE CCc1nnc(N2CCS[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499240094 CRDBPADREAGJPS-BQASMSSTSA-N 404.540 1.945 30 10 HDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1504456801 HTZKPTPZBZZUQP-INIZCTEOSA-N 403.446 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)N(C)C)CC1 1507721377 SKCSUDOARVPHKV-UHFFFAOYSA-N 411.466 1.087 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507763609 XVPAYLLJSXRIHO-HTAPYJJXSA-N 422.489 1.934 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1507984529 XYLILERIBXTKBS-CQSZACIVSA-N 413.544 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCC 1508075699 ZBLPPGOIBXIELP-UHFFFAOYSA-N 405.524 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1508079873 FYNSQVYKYSVSKK-HXUWFJFHSA-N 401.515 1.622 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1508129741 RKSXOQJHXZJUQX-ZWKOTPCHSA-N 410.522 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508139505 BFOKZZLOEOWYGQ-KXBFYZLASA-N 410.540 1.531 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1515795874 GIBXYDHVVSRZHJ-AWEZNQCLSA-N 408.466 1.972 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1517428995 BLXPJEFIHOVQRA-UHFFFAOYSA-N 400.479 1.984 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)CC2)o1 1538982788 MNBKBWQFAYTWRX-QGZVFWFLSA-N 406.508 1.497 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1539002151 AFQULGSYXYQUAK-CQSZACIVSA-N 421.523 1.679 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539701453 HNLUINYTDBKLQY-INIZCTEOSA-N 401.515 1.533 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCS(=O)CC1 1540874308 BKOADYIWMDANSP-UHFFFAOYSA-N 403.508 1.036 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2conc2COC)C1 1540890324 CRAHHTPCWQGGET-HUUCEWRRSA-N 402.455 1.193 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1541030470 CMIVTOYHYBSPNZ-QGZVFWFLSA-N 405.466 1.098 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1541116494 PVUNECHFJAUTDL-CABCVRRESA-N 422.530 1.953 30 10 HDEE C[C@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1541958471 GUWVIVRAMOAZAC-YWZLYKJASA-N 401.442 1.886 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1542483765 ZDCKBSZXUPNFMW-NQIIRXRSSA-N 413.478 1.700 30 10 HDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1542816369 XUPFYKDNKGUWGO-JOCHJYFZSA-N 408.506 1.952 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1547885936 WTZYNEJXYZOHFG-UXHICEINSA-N 405.499 1.476 30 10 HDEE CCOCc1nnc(N(C)CCC(F)(F)F)n1CCN/C(O)=C1/N=CC=CC1=O 1548090608 AQUNIRMWOKRLOD-PFONDFGASA-N 416.404 1.730 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)COC(=O)N2 1557503961 PNZISDRCGKAGET-NSHDSACASA-N 400.416 1.926 30 10 HDEE CCOc1ccc(CCN(C)C(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1559043873 QWBVUVNRKYMPEC-UHFFFAOYSA-N 401.488 1.936 30 10 HDEE N#Cc1cn(CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c(=O)c2ccccc12 1559442463 HMTMBVQTNRUNEX-KRWDZBQOSA-N 413.499 1.831 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2oc3ccccc3c2Br)c(=O)n1CCO 1559456679 KVLRJKWJTNMJAJ-UHFFFAOYSA-N 404.220 1.739 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnc(N3CCOCC3)s2)c1 1568302117 CNSLAQBUFXQOEC-UHFFFAOYSA-N 424.479 1.346 30 10 HDEE C=CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1OC 1570329061 KRSGHWUYVCXVOQ-UHFFFAOYSA-N 403.523 1.786 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Cn2cnc(C#N)n2)C1 1583209436 ICUFIHKSAOZAEK-OAGGEKHMSA-N 418.498 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587638682 GUXPNFMHJQGIBA-OWSLCNJRSA-N 415.517 1.586 30 10 HDEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1588283731 DHJOMRVALNXVKZ-HXUWFJFHSA-N 414.487 1.700 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1588452373 QUGNBMQRNXGQSW-UHFFFAOYSA-N 421.498 1.491 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCc2nccn2C1 1588659532 KOOYLUBMVRJCPT-SFHVURJKSA-N 405.506 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](F)COC)CC1 1588955417 WXJBEDSVQLNEHB-KRWDZBQOSA-N 419.526 1.881 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC 1589663155 JCVJZFAHGFUYKF-HZPDHXFCSA-N 415.560 1.296 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1594949248 VAXZPYSUJUFZCU-CHWSQXEVSA-N 402.421 1.115 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)Cc1cnn(C)c1C 1595506494 BOYGISHITVYUFF-UHFFFAOYSA-N 409.494 1.934 30 10 HDEE CNC(=O)N[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1595609672 AYRHUPVKAANULZ-KGLIPLIRSA-N 403.870 1.485 30 10 HDEE C[C@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)S(C)(=O)=O 1596604248 FOQJXICKHNHGOV-CXAGYDPISA-N 421.519 1.942 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCC[C@H]1C 1596807285 TWBCVIOZMZHJBJ-HDMKZQKVSA-N 407.482 1.942 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1597893628 SMSLMVNNXXBGDR-STQMWFEESA-N 409.936 1.515 30 10 HDEE Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612571782 KXUIWVMOXYQTJP-BUHFOSPRSA-N 414.388 1.007 30 10 HDEE CS(=O)(=O)c1ccc(N2CC(Nc3cccc(C#N)c3)C2)c(S(C)(=O)=O)c1 1612661508 IIYYBLFVWDNVOM-UHFFFAOYSA-N 405.501 1.666 30 10 HDEE Cc1ccc(NC(=O)Cn2cc(C#N)ccc2=O)cc1S(=O)(=O)N1CCCCC1 1613847842 FMKOFBPTFIYEPK-UHFFFAOYSA-N 414.487 1.842 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 1615280367 RJJBIGXFVHJECE-RDJZCZTQSA-N 400.479 1.179 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCc3nnc(S)n3CC)n[nH]2)c1C 1617402626 JPJFJGWPOWAQDJ-UHFFFAOYSA-N 400.512 1.949 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCOCC1 1618331131 RAAGXCSPJBZJNG-JXFKEZNVSA-N 421.856 1.791 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1618825983 SBKCNSLIDNNJGL-GJZGRUSLSA-N 408.476 1.481 30 10 HDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1619474446 CQHYTSVIHNVAEX-AWEZNQCLSA-N 405.462 1.969 30 10 HDEE CC1(C)[C@@H](O)[C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)[C@H]21 1620491060 XCWVPKDGBHVMDV-FEHORTKBSA-N 402.564 1.938 30 10 HDEE C=C(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1622728765 GJUOJOKDDNPXHP-AWEZNQCLSA-N 401.510 1.240 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1nc(CNC(=O)OC(C)(C)C)sc1C 1623720662 BOVOUZUOEKUBHY-UHFFFAOYSA-N 403.526 1.807 30 10 HDEE CN1C[C@H](N(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1=O 1628809927 BZVNQSLVGCVYKU-OAHLLOKOSA-N 405.296 1.836 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C1CSC1 1629033575 DLHGQKWCCWCWMZ-UHFFFAOYSA-N 420.556 1.867 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CSC1 1629033875 MHCUKPQYXYJWJF-UHFFFAOYSA-N 403.323 1.305 30 10 HDEE Cc1cccc(CONC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1630758026 NLZGPKNLLZCHQC-UHFFFAOYSA-N 414.487 1.910 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CS(N)(=O)=O 1631269203 JLONIJCMHOVGBG-LSDHHAIUSA-N 403.545 1.906 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(Cc3ccccc3)CCC2)CC1 1632987921 DZEAUXAQYTXDRZ-UHFFFAOYSA-N 404.536 1.194 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)[C@H](C)c1ccccc1 1633802462 DUDGSMPZEFJXJB-ZRGWGRIASA-N 401.488 1.506 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 1634554998 NNPUMLNEIUTBGO-HXUWFJFHSA-N 417.575 1.584 30 10 HDEE N#C[C@]12CN(C(=O)NCc3cccc(OCC(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1635009494 VZLMQXQDNHOUSM-XHDPSFHLSA-N 418.397 1.102 30 10 HDEE Cn1cc(C(=O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1636444188 QQOXVTKTMQCBQE-KLSXAPCHSA-N 401.467 1.506 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(N2CCCNC2=O)CC1 1636826173 PKZKZJMLQCYJLN-MRXNPFEDSA-N 407.515 1.980 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@@H]([C@H](C)O)C1 1638993358 VRCRZEMPRLJBNW-XHDPSFHLSA-N 413.268 1.706 30 10 HDEE CCn1nnc(C)c1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639083414 YAPYAXIFONWASV-UHFFFAOYSA-N 403.284 1.993 30 10 HDEE CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCN(C)C1 1639835265 BNSYGEYTWVJNDW-LJQANCHMSA-N 418.563 1.902 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 1640390933 AZLFFOKZSKTMEK-SFHVURJKSA-N 414.510 1.952 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@@H](O)c4ccnn4C)CC3)cc2C1=O 1641143400 HRZPLICUBZQNDM-LJQANCHMSA-N 408.458 1.788 30 10 HDEE C=CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H](C)COC 1641334426 IJIUOOKDDNMYDE-HUUCEWRRSA-N 404.529 1.460 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)C1=O 1643338583 UCBIFGBXEXSIOI-VFNWGFHPSA-N 412.446 1.268 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 1643706720 VPDQZXRVKZCMGF-CYBMUJFWSA-N 400.859 1.595 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cncc(C#N)c2)C1 1645029978 OSAVRCQSQIPUJA-MRXNPFEDSA-N 402.480 1.010 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCCOc2ccc3c(c2)OCO3)C1 1647981245 ZIEONTOYMQFWRY-QFIPXVFZSA-N 408.458 1.863 30 10 HDEE C[C@H](CC(=O)N[C@@H]1CCOCC12CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1648104615 DBNXMNVNWBBHQI-RHSMWYFYSA-N 405.520 1.969 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)c1 1648372602 PZYAEWOPMRDZGO-SFHVURJKSA-N 406.504 1.256 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@H](O)CCO3)cc1 1652455784 MJXMXFMMPDKNEW-MRXNPFEDSA-N 407.492 1.025 30 10 HDEE O=C1C=COC2(CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)C1 1652925868 KBWPYBJANOGPAB-UHFFFAOYSA-N 402.407 1.258 30 10 HDEE N#CC[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1655039633 LLTTVUQYCLQDBG-QAEAHILHSA-N 413.503 1.860 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2[C@@H]1CCCN2CCO 1656411869 WWDZOHPXLXHXJP-FHWLQOOXSA-N 400.523 1.861 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2c3ccccc3C[C@H]2CO)CC1 1659363271 DXOIACJCGWSPDP-RBBKRZOGSA-N 408.477 1.958 30 10 HDEE N#Cc1ccc([C@H]2CN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CCO2)cc1 1660386769 AOFLXGVWZMLEBS-LJQANCHMSA-N 414.412 1.965 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N=[S@@](C)(=O)N(C)C 1664193825 JCNRDOUAKHZZIL-AREMUKBSSA-N 422.573 1.140 30 10 HDEE CC(C)(CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)S(C)(=O)=O 1667625469 BAZMAVRWECFNAT-UHFFFAOYSA-N 413.290 1.561 30 10 HDEE N#CCCC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccccc1 1681503482 FWQWOVVYARAMHC-QGZVFWFLSA-N 416.507 1.861 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1 1682560035 JSWQSUVWZJVNTO-INIZCTEOSA-N 405.462 1.557 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)c1ccccc1 1683508076 LXNFEULCGFANQL-INIZCTEOSA-N 404.517 1.842 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1685593774 YDJFZKWTCTTWEB-NHYWBVRUSA-N 416.272 1.668 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 1686171632 GILVAMVVNCJDAW-LJQANCHMSA-N 404.461 1.853 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689906950 WXDPQBVQPFHKOH-YADHBBJMSA-N 415.538 1.839 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC1CN(C(=O)OC(C)(C)C)C1 1689948190 SDQHDBKMLDAOCP-HNNXBMFYSA-N 407.515 1.938 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1689982850 VTLCXVAFQQRQBC-ZFWWWQNUSA-N 419.576 1.843 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCc1cnn(C)n1 1690019521 KTLKVHXRUXCHOL-HXUWFJFHSA-N 417.473 1.625 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1690059084 ITFMGEFQXCHWLH-WBVHZDCISA-N 408.572 1.365 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOC(C)(C)C)CC1 1690113389 IDYNUEQWIZGJRD-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC=C(C)C)CC1 1690136189 APABVURJBSELGF-UHFFFAOYSA-N 400.527 1.738 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)COC)CC1 1690148648 NXTGVHJHTATMTI-KRWDZBQOSA-N 410.522 1.512 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC(N)=O 1690251529 WGTZNDDZCKRISL-CLCXKQKWSA-N 404.515 1.082 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690297745 FHUPULVNZCKKMW-OXQOHEQNSA-N 404.515 1.451 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)CN(C)C1=O 1690615420 DLURVIDOUNWNEJ-OAQYLSRUSA-N 413.478 1.791 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(NC(=O)COC)CC1 1690651376 OZMNMHXTMNHRDB-UHFFFAOYSA-N 403.458 1.914 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCCC)CC1 1690659564 WRAYMWWLFBVBSQ-INIZCTEOSA-N 406.531 1.504 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690671037 NWPIBVFFLSDLGV-IAGOWNOFSA-N 418.542 1.215 30 10 HDEE CCNC(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1695922298 OBSWJHNHRXZWQT-MRXNPFEDSA-N 414.535 1.966 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)C1 1696496349 XJQHYIWQNHDLNU-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@H]2C)CC1=O 1698074662 DLQWXXBXLRKDDC-SJLPKXTDSA-N 424.505 1.537 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705522341 BLVSONQQIDSHDB-BZSNNMDCSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCCC1 1705588898 HOKOASGHLAQMGT-UHFFFAOYSA-N 419.489 1.434 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1705612218 CAGCYLWGPFOCRU-OAHLLOKOSA-N 404.492 1.402 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1705665253 OGTYKUVJCZDWQF-OXJNMPFZSA-N 421.567 1.400 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1705673172 SAAIRNHOHVBTQW-IFXJQAMLSA-N 407.540 1.435 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1705843370 CYQYEISYXHSENS-QGZVFWFLSA-N 423.514 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705903853 WOPMGHBJLPMUEW-CQSZACIVSA-N 407.496 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cnn(CC)c1 1705938618 DYMWBRMCHQWFAT-MRXNPFEDSA-N 408.528 1.583 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1706185989 HZZSXBPGYVHMLZ-HNNXBMFYSA-N 422.555 1.573 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712168890 LEGKFXVLGNEBRS-IEBWSBKVSA-N 409.469 1.978 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2C[C@H]2CCC(=O)N2)cc1 1712880413 IROCADSPWHOTMM-QGZVFWFLSA-N 410.478 1.216 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722315823 SVPXLZJCWCYRNF-GOSISDBHSA-N 411.510 1.651 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722322910 XWRIDPUPLKAKRJ-UHFFFAOYSA-N 408.506 1.924 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722324320 PEBSPDGCFNZQAE-HZPDHXFCSA-N 419.555 1.104 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722336296 JUFGUSAFTBKXHA-SFHVURJKSA-N 424.480 1.894 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(OC)c1)N(C)C 1722356209 CVIWUZWLFUZMIU-IBGZPJMESA-N 410.522 1.781 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1722369546 ARRKXAMTDRIIDS-UONOGXRCSA-N 418.466 1.038 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1722389233 FSHCAWFZGBUORP-INDMIFKZSA-N 405.502 1.672 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CCCO 1722402728 OZKAYCABEGJNTO-QGZVFWFLSA-N 411.510 1.232 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1722411793 PWXQLADBSJHIPW-JXFKEZNVSA-N 408.568 1.971 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722523130 CELUODUTQSITMO-HUUCEWRRSA-N 406.512 1.832 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1722622300 LVFAKJCNFQRKSS-UHFFFAOYSA-N 400.483 1.721 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722685725 KTWVNYPGLUTDRQ-TYILLQQXSA-N 423.539 1.470 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1726207963 BEVIZEAVEMOEET-SIFVSHMBSA-N 400.519 1.727 30 10 HDEE CCC(O)(CC)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1727293734 HJKGPKWTTFYUBP-KRWDZBQOSA-N 409.494 1.796 30 10 HDEE CCc1nc(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)cs1 1727456206 CNCMIAOHMBIGIO-GOEBONIOSA-N 420.539 1.992 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1ccn(C)n1 1729032954 FYXRPFCPJLHIFE-UHFFFAOYSA-N 408.466 1.326 30 10 HDEE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1729808647 VRODCSXZCBCQPM-INIZCTEOSA-N 424.509 1.247 30 10 HDEE C#CCCCn1c(N2CCC(CNC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740597380 SRSJNJMKWPICFX-NRFANRHFSA-N 403.527 1.696 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](C)C1 1740598392 OOGJAXBVTROUKO-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740671531 JLIKXYGPZSCOFU-BOSXTWCSSA-N 406.552 1.581 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnnn2C)CC1 1740698412 DQJWNUSFGXCSKP-UHFFFAOYSA-N 420.521 1.004 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740717560 VUCICVRPSUKYIG-OAHLLOKOSA-N 416.555 1.375 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740886576 LKFIJPVLNMWTQF-SJORKVTESA-N 416.526 1.241 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1740927617 VVXNZVHZKNQVIO-UHFFFAOYSA-N 407.540 1.660 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740957510 QBGFUOVZGPIOGO-UHFFFAOYSA-N 417.477 1.793 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2nc(C)cc2C)C1 1740980331 OVTUDUUQKGROOV-ZWKOTPCHSA-N 413.526 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(CCC)C(=O)C1 1740986872 JVUUNMRKNPSMRU-MRXNPFEDSA-N 411.572 1.841 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1743308428 BKLNWBCEBXOFSS-ORIGZDJFSA-N 414.510 1.761 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1743385183 HBTLOYQRSHAYBW-MNVSYLFESA-N 419.432 1.416 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1745191668 GLPVKJIGKZOWKL-OAHLLOKOSA-N 409.494 1.305 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1748747168 CUKXZBAQSWYQCH-JKSUJKDBSA-N 400.527 1.774 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C1OCCO1 1748959365 QNBNGXSXILNWEH-UHFFFAOYSA-N 422.489 1.858 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(C)(=O)=O)CC1 1749348314 NHVQERBOGZZUQD-UHFFFAOYSA-N 407.544 1.091 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1749364103 NGZMKTUGXBWEBK-HNNXBMFYSA-N 404.515 1.127 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1F 1749630631 VBMYYJNWJGZEID-QGZVFWFLSA-N 423.514 1.963 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1749664467 OIPUWJOERYFBFY-INIZCTEOSA-N 410.457 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCS(=O)(=O)C2)C1 1749707073 ACWOXLJXKPXANF-BRWVUGGUSA-N 410.540 1.736 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](COCC)C1 1749735474 USJJWCFAXMOBII-DLBZAZTESA-N 412.556 1.636 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750377926 CGSQZEZXRQORFA-KBXCAEBGSA-N 404.471 1.141 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2COCCO2)C1 1750380214 MEHLVGYZMVIFKZ-CRAIPNDOSA-N 402.386 1.711 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)cc2)CC1 1750389599 DNQNRFRFYHLINV-UHFFFAOYSA-N 421.505 1.678 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CCC2)cs1 1751782486 JOZTUKYBPOYHRR-JMGYQRAPSA-N 420.564 1.664 30 10 HDEE C#CCN(C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760176198 BDHFUVFNAPICQW-UHFFFAOYSA-N 408.506 1.344 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OCCOC 1760177928 RWZFLJBETZXWIL-UHFFFAOYSA-N 409.494 1.678 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760562498 LMBPPMKLNGRXKI-HOTGVXAUSA-N 401.540 1.845 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1766619520 ULGAYHUIBMQQLK-QGZVFWFLSA-N 410.478 1.576 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1770201709 BYIOCEIVIPOYLP-OGNFBWPZSA-N 422.505 1.165 30 10 HDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCN(C)C1=O 1848761409 SDUAUZMZKGOXHK-NHYWBVRUSA-N 417.890 1.391 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@H]1c1cccc(F)c1 1851121624 ZYDBJVAWGXRRNB-IEBWSBKVSA-N 408.437 1.356 30 10 HDEE Cc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)cc1 1851785091 XQIFGQNFEKWOQI-GOSISDBHSA-N 415.519 1.746 30 10 HDEE COCCOc1cncc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1852612971 VXGAFRJKBQUPMY-UHFFFAOYSA-N 411.462 1.352 30 10 HDEE C[C@H]1Oc2cc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)ccc2N(C)C1=O 1853223333 RMJSCEMXKUTDFM-SECBINFHSA-N 419.381 1.914 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@H]1C 1854330176 DXZAQIASCMMCRA-AEFFLSMTSA-N 405.520 1.393 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2nccc(N3CCOCC3)n2)C1 1855375367 MZTQAAHKJZOUBP-ZWKOTPCHSA-N 413.522 1.733 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)ccn1 1855950096 OGWUGYASMQAREG-LJQANCHMSA-N 405.462 1.087 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)CCC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1856267646 YMEBAYQYBIPVPQ-GFCCVEGCSA-N 410.400 1.186 30 10 HDEE Cc1cncnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856395832 LFNYGOPSBOKPKI-SFHVURJKSA-N 404.474 1.468 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4cnccn4)C3)C2=O)c1 1856456640 QGGURKMNSHVCTB-PKOBYXMFSA-N 405.458 1.880 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1F 1857073564 RPJGOTMVHPMWOU-LJQANCHMSA-N 407.449 1.964 30 10 HDEE CSc1cccc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857148840 GXGPYDYTWOCKIS-GOSISDBHSA-N 422.514 1.632 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)ncc1Br 1857252725 KCHKAGXLQHCQOU-CQSZACIVSA-N 407.268 1.829 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@H](CN2CCC3(CC2)C[C@@H]3C#N)CCC1=O 1857286323 JKPQFUJMRNLQQQ-JKSUJKDBSA-N 412.490 1.398 30 10 HDEE C#CCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870560193 LKDTXTPSZBMHFX-UHFFFAOYSA-N 411.477 1.906 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)CC1 1872911227 RUJJVILXTVHVDU-MRXNPFEDSA-N 415.490 1.598 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(OC)c2OC)CC1=O 1872974332 JAIIQSBIXSOJDX-JLTOFOAXSA-N 410.474 1.936 30 10 HDEE N#Cc1ccc(CN2CCC(NC(=O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 1873724034 FWWPAOGBCORVQK-UHFFFAOYSA-N 402.454 1.935 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4cc(N5CCOCC5)cnn4)CC3)cc2)CC1 1890281866 HICVNPCROSRFHK-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](COc3ccc4nncn4n3)C2)cs1 1890804404 FSENBAXPDRBWEF-GFCCVEGCSA-N 413.463 1.038 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)C1 1890895009 AIUZMSDGSLVYQP-UXHICEINSA-N 400.500 1.703 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C#N)C1 2174771505 NQAIGNSGRJGLGJ-PTFIGZPYSA-N 422.573 1.869 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)CC1(C#N)CCCC1 2174783248 ADRZQNNTWMOFCH-OAHLLOKOSA-N 400.545 1.541 30 10 HDEE CN(CCN(CC(F)(F)F)S(=O)(=O)N1CC[C@H](C#N)C1)C(=O)OC(C)(C)C 2174786795 NJFSFYQLHYEMBO-GFCCVEGCSA-N 414.450 1.808 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2188397375 ZTPBRZVSIBCZNE-GJZGRUSLSA-N 400.541 1.965 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2241806887 YCHPXPYWGWHUGB-YJYMSZOUSA-N 401.504 1.848 30 10 HDEE C[C@H](C=CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243696563 COQHNENQADMORH-LLVKDONJSA-N 424.332 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244551858 MAAVZZAFIJGCGI-HUUCEWRRSA-N 408.304 1.498 30 10 HDEE Cn1ncc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247778326 ACPRYUZZVPOGAJ-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cn1ncc(C(=O)NCC2CN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2247916450 XRRUOEIAHWSLBC-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248403921 HISVKDIIGXOAFM-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cc(Br)cnc1C#N 2249539164 GTQOJENLRNIRHR-UHFFFAOYSA-N 401.261 1.376 30 10 HDEE Cn1ncc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282313398 KSPSBSKHSLQLIT-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1CO 2282419476 PLBIANKVDFJZPX-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CO[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1F 2282496571 DDEXSDJBTKOGEN-OLZOCXBDSA-N 405.322 1.546 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CCCN2)c1B1OC(C)(C)C(C)(C)O1 2282496756 GYTOQFYFJFYOHM-ZDUSSCGKSA-N 400.375 1.694 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@H]2CCCSCC2)n1 2282510398 XXCIEWUYPDHWSB-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCC[C@@H]2N)OC1(C)C 2282837251 COCZRXIWZPJYJX-UONOGXRCSA-N 400.375 1.737 30 10 HDEE COC(OC)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282846779 OJWOVSPWIKYBBW-JTQLQIEISA-N 405.347 1.641 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CC[C@H](F)C2)OC1(C)C 2282846951 RDFMXRAKLPHHRI-NEPJUHHUSA-N 404.338 2.000 30 10 HDEE C[C@H](ONS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284397814 QOXVXPOYTPEETH-VIFPVBQESA-N 405.665 1.322 30 10 HDEE CS[C@H](C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405920 RGMSQBOIZLRFAY-MWLCHTKSSA-N 421.371 1.530 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC[C@H]3C(=O)O)s2)OC1(C)C 2284410472 BXMHVWVXNHBCOL-WDEREUQCSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NO[C@H](C(=O)O)C3CC3)s2)OC1(C)C 2284415916 RLSUSNXBEOKZGL-LBPRGKRZSA-N 403.287 1.120 30 10 HDEE C=C(CS(=O)(=O)N(C)CC1CC(S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2285338607 GGVMXUGLSCZHBM-UHFFFAOYSA-N 407.363 1.259 30 10 HDEE CC1(C)OB(c2ccc(CO[C@@H]3CCCN(S(C)(=O)=O)C3)s2)OC1(C)C 2285601270 WBEAOWKVIOOIPO-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2300230840 PGRVDUREJUDEKJ-QWHCGFSZSA-N 420.319 1.505 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2339672222 OTCLYXXDKFWJME-SFHVURJKSA-N 422.547 1.565 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C 2365195318 APOKGCNOGRJXGC-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2365197581 WITVINSBJAQTFG-DNVCBOLYSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2365203083 HLECKNRMWFXMMI-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2365204809 OTXKWRMZQJTPQE-VCBZYWHSSA-N 402.557 1.409 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)COC1CCN(C(=O)OC(C)(C)C)CC1 2365210300 YFDOCTAFRFPEDX-HNNXBMFYSA-N 402.557 1.817 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808526 DBDQMSDEZDQEEZ-DAYGRLMNSA-N 402.557 1.599 30 10 HDEE C=CCNC(=O)CN1CCN(C/C(O)=N/c2nc3c(OC)cccc3s2)CC1 52305517 WQVHHIWDTCPCOT-UHFFFAOYSA-N 403.508 1.813 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cn1 59830044 GKQDRBZWCOKBEE-AWQFTUOYSA-N 411.495 1.860 30 10 HDEE COc1cccc(N2C[C@H](C(=O)NCC#Cc3ccc(C(=O)N(C)C)cc3)CC2=O)c1 96348390 KQUFNALKWWYJJE-LJQANCHMSA-N 419.481 1.918 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4cccnc4)no3)CC2)cc1 97000597 KGMGCJQZBMJCJB-UHFFFAOYSA-N 410.459 1.510 30 10 HDEE C[C@@]12C[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@@]34C=O)C[C@]1(O)C[C@H](C1=CC(=O)OC1)C2 169676043 IQNBKMSBJXGCDH-JATXINAKSA-N 404.503 1.898 30 10 HDEE CCOc1cc(OCC)c([N+](=O)[O-])cc1/C=N\Nc1nc(C)c(CCO)c(=O)[nH]1 169897938 WOJXXFKOYDNOSV-GRSHGNNSSA-N 405.411 1.765 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 460281554 NLDYHGZDDWIPTA-MRXNPFEDSA-N 405.501 1.968 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 460367057 CBBQZUUYBOJMMF-UHFFFAOYSA-N 407.482 1.556 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1 461893569 GSTSNWXUBCNHDI-UHFFFAOYSA-N 421.476 1.695 30 10 HDEE CN1CCN(CC2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CC1 470498673 XVACWLGJULLKII-UHFFFAOYSA-N 408.510 1.630 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477858880 VKNSRFAZJYHUMT-UHFFFAOYSA-N 400.479 1.006 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490355475 SNHGZHAGGXYCHO-CQSZACIVSA-N 401.448 1.115 30 10 HDEE COc1ccc(-n2cc(O)c(C(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 499621560 JJKZKZLBMYHUJK-UHFFFAOYSA-N 404.430 1.816 30 10 HDEE N#Cc1ccccc1OCC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 501526465 BIUHFCNHFOPRNZ-VQTJNVASSA-N 404.470 1.652 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(CC(F)F)CC1 508798407 SJZWXHFLLCBWDV-UHFFFAOYSA-N 411.478 1.922 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 508944594 GAYVUMMXPZPMOH-UHFFFAOYSA-N 400.527 1.833 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1 513262645 OMSNGPCFDZYVAL-WBMJQRKESA-N 402.480 1.405 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2F)CC1 541213729 UGYZJBFWBYNJPP-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543892734 YGGXTSLUPUJASC-AWEZNQCLSA-N 422.898 1.943 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)s1 545357910 LZPKNVSDWRZKGK-UHFFFAOYSA-N 412.537 1.856 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCO4)CC2)n1 546919707 MZRZIYPZJOIGQC-UHFFFAOYSA-N 408.418 1.152 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)o1 549644785 COWVQYDCUNCNJP-QGZVFWFLSA-N 408.462 1.778 30 10 HDEE COc1ccc([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1F 550123969 JCSLBUZMFMDGOS-AWEZNQCLSA-N 411.437 1.627 30 10 HDEE CC(C)N1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 561663307 XTPVJRKFQNYIFA-FUHWJXTLSA-N 403.437 1.951 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)CCCC1 573626532 OSPIRBQHQYJJJG-OAHLLOKOSA-N 408.476 1.847 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 581680001 WICMNYNRWUJJAI-AWEZNQCLSA-N 404.496 1.372 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)C(C)(C)C(=O)OCC)nc1C 586300630 BYHOPFMZKFEWOB-SANMLTNESA-N 402.494 1.823 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)OCCOCC)cc21 586315678 YSVZCLFMOLJVAB-MLNJSSBLSA-N 423.487 1.498 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CC(N)=O 589157330 UUOYSFZUZPPZJP-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)[C@H](C)c1ccccc1 603634426 SZPPQKALERHKPU-OAHLLOKOSA-N 401.467 1.073 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 604186242 YXAPIWXEPRDGGU-OAQYLSRUSA-N 413.566 1.761 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 609161660 WJEJZFUUHUXLDF-WBVHZDCISA-N 419.482 1.947 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 609632839 XTDBGUXABCKIEU-MRXNPFEDSA-N 404.536 1.620 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H](C)Oc3ccccc3C#N)cn2)C[C@@H](C)O1 610206249 ZZMILGRQADSWGI-BZUAXINKSA-N 411.462 1.797 30 10 HDEE C[C@H](C#N)CN(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 611095199 BRPROSQIVFZEGC-CQSZACIVSA-N 406.512 1.319 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@@H]1c1noc(C)n1 611533441 AVEVUMCQZODTEM-QGZVFWFLSA-N 416.482 1.717 30 10 HDEE N#Cc1ccc(OC[C@H](O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 613784842 LDPAUZMJUXSBQJ-GOSISDBHSA-N 413.499 1.375 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 613980988 UCHLREJMXNOXNR-MSOLQXFVSA-N 415.494 1.674 30 10 HDEE CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl 732706156 HGXPGWWYOOFTLF-CQSZACIVSA-N 403.870 1.179 30 10 HDEE C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1)N1CCOCC1 732707236 VWNVWPMSSSGOSS-UZLBHIALSA-N 411.506 1.217 30 10 HDEE COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC3 735844079 AEQKDTQFNBWDEJ-QZQOTICOSA-N 422.441 1.756 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)nc1 735852813 FZWKZUJBPFPGKS-DSGGYQJVSA-N 411.462 1.484 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(Br)cc1 737304879 CYHNDAYOVMFUJN-YPKPFQOOSA-N 407.224 1.030 30 10 HDEE COC(=O)[C@H](OC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(C#N)cc1 740217518 IZNCEDFOBCIWFU-LJQANCHMSA-N 412.423 1.802 30 10 HDEE C#CCOc1ccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 745214544 CTNBEXNWCZITMU-KRWDZBQOSA-N 407.488 1.527 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(N4CCOC4=O)c3)CC2)n1 760988834 RTLSDCGYZDMLKW-UHFFFAOYSA-N 406.446 1.942 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cc(S(C)(=O)=O)cs2)cc1 767435053 HRBHRWNTZKCPEA-HNNXBMFYSA-N 406.485 1.842 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2cnn(C(C)C)c2C1)c1cc[nH]n1 772277517 BQVODLJHGBJPQU-CQSZACIVSA-N 402.455 1.145 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774046284 KNUUYWDXZAKHLI-GOSISDBHSA-N 419.503 1.250 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774191264 GOPMVBIKEHXOPZ-AEFFLSMTSA-N 405.520 1.353 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccnc(N(C)C)n2)C1=O 775659619 ZNYPOZGRNRRDQQ-HNNXBMFYSA-N 416.482 1.950 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1-c1cccc(Cl)c1 777247559 HKPOZMCRUVQBNI-QGZVFWFLSA-N 412.881 1.971 30 10 HDEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 779753020 AUDNCTVKOUBRID-MRXNPFEDSA-N 416.503 1.588 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 780014254 WSKQWOJCKNUJSZ-GOSISDBHSA-N 411.480 1.093 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1 780960570 MTWJHPUWGXZCCS-JOCHJYFZSA-N 406.486 1.937 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnc(C2CCC2)n1C 783171600 SCYGEEOZIMPLQC-LBPRGKRZSA-N 403.464 1.364 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)n1 788682506 QREIPJPIPILSPS-UHFFFAOYSA-N 408.466 1.789 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccccc3OCC)C2)n1 788809911 APXNUXBHUDMCRR-GOSISDBHSA-N 424.501 1.943 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)CC2)o1 796279248 ORTAHMIOIWRWIA-UHFFFAOYSA-N 412.402 1.982 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C[C@@H]2C1 797454002 HAGIDSZQGPHSON-GUUPXCIISA-N 419.482 1.021 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 803697958 YMKOWCLQMFEDAU-QFIPXVFZSA-N 409.442 1.167 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C#N 804570649 HFMOOLQGDJWQSJ-CYBMUJFWSA-N 406.442 1.579 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(C)(C)C 805146457 GYRLLQDJTMHUIO-AWEZNQCLSA-N 414.325 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)C1 809846678 LMRUSUOCZOJGRB-INIZCTEOSA-N 412.556 1.637 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809927867 GBBHGNYWCBQCDM-JXFKEZNVSA-N 419.551 1.605 30 10 HDEE N#Cc1ncccc1COC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 813167420 IWLPSHLIOZXODT-MRXNPFEDSA-N 401.444 1.768 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)cn1 1084154689 LSUGCNJVPAMRAH-UHFFFAOYSA-N 404.456 1.095 30 10 HDEE Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134052549 GVYHRXTWAGLJIJ-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(F)cc3N)CC2)cc1 1136149396 JKFQMUOEXXZEDX-UHFFFAOYSA-N 406.414 1.565 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCc3ccccc3C2)s1 1136160658 NVHOHPZPRRXESS-UHFFFAOYSA-N 419.572 1.929 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CC2)nc1 1136367367 PBDATHIFPPGVOC-LJQANCHMSA-N 404.474 1.758 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1 1136872439 OZUZMXOSNYEBEQ-UHFFFAOYSA-N 417.344 1.389 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1138991621 SLGJPBRDTPQILU-CABCVRRESA-N 414.549 1.178 30 10 HDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ncc(C(=O)OC)s1 1148120870 FAJPGJNTWNXOHH-UHFFFAOYSA-N 422.488 1.707 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCC[C@H]3C(N)=O)C2)C1 1148396967 FCYUBARBUUTJLT-KEDZRVRNSA-N 404.511 1.934 30 10 HDEE N#Cc1ccc(CC(=O)CN2C(=O)N[C@]3(CCN(Cc4ccccc4)C3)C2=O)cc1 1165958872 HMCQEJXBPNQYDO-QHCPKHFHSA-N 402.454 1.866 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1179653382 YGHMYFSGYOPVJD-TWOQFEAHSA-N 416.503 1.327 30 10 HDEE C=CC[C@@H]1CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1180063976 SWLZRGPNWFRZRV-MRXNPFEDSA-N 409.483 1.469 30 10 HDEE Cn1c(=O)c2ccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)nc2n(C)c1=O 1184032175 UDHZETNOKWGTSF-UHFFFAOYSA-N 416.253 1.195 30 10 HDEE N#Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nc1 1208019896 AORDVLFBIQYLMT-MRXNPFEDSA-N 415.475 1.732 30 10 HDEE CN(CCN1CCOCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1209187024 HTOKPRYNSQWOCY-UHFFFAOYSA-N 406.277 1.413 30 10 HDEE CN(CC#Cc1ccccc1Cl)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1284506799 WJQPMSZODJVJQV-FJEWGBTGSA-N 402.922 1.866 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1286280336 XVSBVHUEGRJZAL-OAHLLOKOSA-N 417.535 1.723 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@H](C)O2 1286360205 DKFGXJSSEYRSJW-KKUMJFAQSA-N 417.535 1.890 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1286412372 ABWXPKSJFLRKDU-QZTJIDSGSA-N 421.492 1.601 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2[C@@H]2C[C@H]2CF)n1 1286471385 MGUODMQSPRZWPY-BHYGNILZSA-N 415.473 1.242 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286525026 HVLDXVMMSYXWKI-QSNWEANLSA-N 414.554 1.721 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)C1 1286809734 VHRHMQWOYNOULW-DLBZAZTESA-N 416.526 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(OC)C1 1286823553 WFDYZWYCXVEWJS-FQEVSTJZSA-N 419.551 1.870 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN1CCCO 1293004219 NGHXKJNEGOVBTL-KRWDZBQOSA-N 411.510 1.222 30 10 HDEE C#CCN(CC(=O)NCCOc1ccc(S(C)(=O)=O)cc1)C(=O)OC(C)(C)C 1293034248 WIJJUDWETNXJLQ-UHFFFAOYSA-N 410.492 1.455 30 10 HDEE CCCO[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1294999641 YSCLLQPCXZIYIZ-VRTBNJGNSA-N 402.499 1.898 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1297981605 CMRYHIMJAZXBIZ-NRFANRHFSA-N 407.478 1.154 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)OC(C)(C)C 1300332145 YGKXMSZZGFBWOR-PMPSAXMXSA-N 407.515 1.985 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)(C)C 1300459862 XJPNYMJHQIEUOR-UHFFFAOYSA-N 424.553 1.684 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1300495707 JQTNNPASNRLLIQ-IRXDYDNUSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1300528296 UJBDZLLQCJTEBS-UHFFFAOYSA-N 418.457 1.134 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(OC)CCCCC1 1300648027 DAARYAXKMCRXHS-UHFFFAOYSA-N 403.527 1.949 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1300960782 LBQMLDUXSZTHOO-UHFFFAOYSA-N 400.527 1.958 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300983771 PISCJHPYGWNWDG-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)cc1 1301336078 VDMAHXJBDZYQTK-LJQANCHMSA-N 411.483 1.220 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@H]1CCOC1 1301478348 JODNXCGHKLGHOR-KRWDZBQOSA-N 412.494 1.675 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)C1 1301556285 GRRCZYPKTKVYEF-NVXWUHKLSA-N 415.498 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301585221 IRMIIRPIDKXJMY-INIZCTEOSA-N 407.540 1.348 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CCn1cccn1 1301589813 XSBOQGCNDZDUPJ-MRXNPFEDSA-N 408.528 1.106 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1301725441 OONMYAHHRXTTRK-GOSISDBHSA-N 421.505 1.400 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2ccc(Cl)cc2)CC1 1302921672 OZVIMGQFNCKRHC-UHFFFAOYSA-N 401.941 1.434 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1303634583 ROGVBLVTTXDFMK-HOCLYGCPSA-N 422.484 1.773 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnnn1C 1303931694 IDNIMAGEYYYGGV-UKRRQHHQSA-N 412.429 1.463 30 10 HDEE C#CC1(O)CN(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)C1 1304604892 CMFBWOHNORUMFE-UHFFFAOYSA-N 424.482 1.797 30 10 HDEE C#CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1306854204 AMMKWUFOBQUTRZ-GWCFXTLKSA-N 406.382 1.053 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NCC#C[C@H]1CCCCO1 1307229339 HWOVVMSMYQODSC-OAHLLOKOSA-N 409.464 1.600 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 1307774922 HPEZXGBICCDTCV-UHFFFAOYSA-N 415.450 1.022 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)O[C@@](C)(CC)O3)CC1 1310561556 INECMLKTPBGOII-SFHVURJKSA-N 408.480 1.201 30 10 HDEE CN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314642615 IBKGGBZYSSCCLV-UHFFFAOYSA-N 423.502 1.554 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1(C)C 1315721153 YSXITXCWLRIVSQ-MRXNPFEDSA-N 418.523 1.227 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)C1 1320185020 FWDYMXATNXNSHJ-AWEZNQCLSA-N 408.886 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1358871535 GVTMBFZFVAPVQQ-JKSUJKDBSA-N 419.551 1.906 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1358874299 VORVYMDDBIHEKI-KKSFZXQISA-N 422.493 1.412 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1358920339 XJODIIPCNXODDT-AWEZNQCLSA-N 413.544 1.137 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1358930158 PMZSKDNTRGKELQ-DLBZAZTESA-N 409.556 1.507 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359061411 AZHMXPRRHSBEEG-UHFFFAOYSA-N 414.535 1.538 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)c1 1452772801 RXVQIXRWTOAWOY-OAQYLSRUSA-N 400.500 1.757 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1455219799 NKUCOGIBDMJQJV-GKXRLNEWSA-N 411.380 1.554 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1460969515 XNUBYBNZKVAEFK-IIAWOOMASA-N 401.410 1.526 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1462991920 YJKBKEUIXBRGPT-UGSOOPFHSA-N 405.476 1.883 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1463800294 LHAUVDAJIQRPMJ-INIZCTEOSA-N 404.517 1.727 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H](C)N1CCOCC1 1464974581 QZVKUBLXVJKLBP-VZHRSGBHSA-N 420.554 1.999 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2noc(C(C)(C)C)n2)CC1)C(=O)OC(C)(C)C 1465379779 RPWKXXFAZJPLKT-UHFFFAOYSA-N 419.526 1.882 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)CC1 1471450537 DKMFOZXFDCEQBP-INIZCTEOSA-N 407.536 1.363 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](N3CCCC3)C[C@@H]2C(C)C)cc1 1472328767 RHLWPGXCCAPFJT-UYAOXDASSA-N 403.548 1.933 30 10 HDEE CCOC(=O)[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(I)n1 1473050266 KDGCDSCAEDUOAT-LLVKDONJSA-N 416.219 1.304 30 10 HDEE CCc1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)s1 1498202377 GODVNTMNUSIZLG-YVEFUNNKSA-N 424.527 1.689 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN1CCCCC1 1499140207 AYSNZJYFZYAXEM-UHFFFAOYSA-N 411.558 1.567 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507590619 DBDHPFOMPZOKAY-IERDGZPVSA-N 414.510 1.748 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507612490 FQSKAUNKRRVCJF-PXNSSMCTSA-N 422.533 1.568 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC(C)(C)C 1507713216 AYGYWQYNAFTXDN-UHFFFAOYSA-N 415.542 1.531 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ncccc2C)CC1 1507737640 DFDOYVIFURRXMI-UHFFFAOYSA-N 416.489 1.453 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1508037866 FBCBRCKGPPMLQN-ZDUSSCGKSA-N 419.345 1.728 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SC)C2)nnc1[C@]1(OCC)CCOC1 1508096882 CSMGEYKVRPVYNN-JXFKEZNVSA-N 423.583 1.954 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1509805033 KLRRAQNYCKVGQB-MVJPYGJCSA-N 423.489 1.301 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1509944280 IDCNQUAPUMMSGP-XOBRGWDASA-N 407.482 1.820 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(=O)c(OCc3ccc(F)cc3)co2)CC1 1524477488 QKNQVTZXXBVEOC-UHFFFAOYSA-N 412.417 1.960 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1528605855 CEEZBJPUZOXUFY-SFHVURJKSA-N 402.495 1.492 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nc(S(C)(=O)=O)ccc2Cl)n1 1531363428 ADELKOLBAJAYEY-UHFFFAOYSA-N 410.883 1.257 30 10 HDEE Cc1nn(C2CCOCC2)c(C)c1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1533850129 ZNLRKRXPUCMUCO-AWEZNQCLSA-N 409.494 1.864 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@]12COCCN1C(=O)OC2 1535924981 XJKLWWWXYWVZSC-AUUYWEPGSA-N 410.471 1.301 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1538574593 JNKJPKGMAUCTKV-UHFFFAOYSA-N 405.520 1.878 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1539012023 DNJQVRGZPHFQPL-AEFFLSMTSA-N 424.530 1.872 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCOC2=O)CC1 1539454565 SKGQCSHRASBNAP-UHFFFAOYSA-N 422.533 1.661 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1539505377 JIRMVPCCSOWPEB-UHFFFAOYSA-N 407.565 1.663 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(C)=O)CC1 1539630198 ZKRMFDYJQJADCP-QFBILLFUSA-N 411.510 1.821 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539820361 FMGKMBBIMIENRS-YJBOKZPZSA-N 424.977 1.946 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1540036904 WYOQOWCSXHGNTN-SJORKVTESA-N 412.556 1.634 30 10 HDEE Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1544267060 BNCFYLJSTSBRFL-LJQANCHMSA-N 410.474 1.769 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCOCCCO)cc1 1555989022 WJNMVRKTDRBGGS-DLBZAZTESA-N 413.434 1.330 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@](C)(O)c1ccc(F)c(Br)c1)C(=O)OC 1556375383 IGUIAYWVMVIZIE-CZUORRHYSA-N 404.232 1.656 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N[C@H]1CCCN(O)C1=O 1556782297 CHZFLPXGXIKUHH-GOEBONIOSA-N 405.451 1.854 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]4OCCNC(=O)[C@@H]43)CC2=O)cc1Cl 1558059690 IWCSEIRSUSNAFF-RPVQJOFSSA-N 416.865 1.071 30 10 HDEE C=CCC1(CNC(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)CCCC1 1564748227 XBVJVRPUDPPWMK-UHFFFAOYSA-N 417.514 1.599 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@]12NC(=O)N(C)C2=O 1566209837 OZFHLJDSIUOOFT-YRVVQQKDSA-N 406.483 1.130 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC(C)(C)C)[nH]n2)c1 1570607973 RMWYEQYIXYZMCX-UHFFFAOYSA-N 404.448 1.529 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)N(C)OCC 1583613541 ROTMVEMJKKNUMK-UHFFFAOYSA-N 414.256 1.624 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H]2c3ccccc3C[C@H]21 1587562698 SAQPLIZDMSAUEA-HLQCWHFUSA-N 413.547 1.932 30 10 HDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1587724046 MSPKGALYTVLVBL-GFCCVEGCSA-N 405.296 1.746 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)CCC2=O)cn1 1588014577 QBTJCTAKCOKMPK-QGZVFWFLSA-N 407.474 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1588158538 GMMBNPPBALJQQS-UHFFFAOYSA-N 414.473 1.102 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1588271418 IMTRWEIZDQIHSF-OAQYLSRUSA-N 419.526 1.868 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Cc2cccs2)CC1 1588805712 AKTHVZOYZYXPDS-WMZOPIPTSA-N 412.563 1.925 30 10 HDEE C=CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595051010 SBCLQDRTXUWRTP-AWEZNQCLSA-N 405.528 1.115 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1595552006 ZIIKOYJRIAAHJK-QGZVFWFLSA-N 412.542 1.674 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCc2ccccc21 1597627726 QEIGSHOPTKDWHR-IBGZPJMESA-N 414.531 1.936 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(C(=O)OC)co3)ccc2c1=O 1611554405 BVAZYCVMRYIMMR-UHFFFAOYSA-N 400.416 1.576 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1612878802 XSGUBFSVHOOVCX-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1620052128 DVVLBZLNXLILPO-AVRDEDQJSA-N 424.505 1.537 30 10 HDEE C#CCN1CCN(C(=O)CN2CCOC[C@H]2c2cccc(Br)c2)CC1 1620423022 SDFJQHSONXHDKS-SFHVURJKSA-N 406.324 1.600 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(OCC)nn3)CC2)c1 1620443465 CUJWRNAQYHOODA-UHFFFAOYSA-N 408.462 1.327 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)cc1 1622886512 IULYJLAGRNODRM-JKSUJKDBSA-N 410.540 1.724 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(O)CCc3ccccc32)s1 1623635357 QWSFQROXTZPTGE-IBGZPJMESA-N 406.529 1.705 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 1628701244 FMTCSFTZIJCTMM-INIZCTEOSA-N 408.524 1.330 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)s1 1629007814 CCLCHZDVFAHKOF-UHFFFAOYSA-N 413.565 1.613 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1629978776 VNQZJSLZOZEOFL-MSOLQXFVSA-N 424.542 1.523 30 10 HDEE N#Cc1cccc(C(=O)NCCS(=O)(=O)NCC2CCC2)c1Br 1632632824 KQKRWIKTLUCYKM-UHFFFAOYSA-N 400.298 1.770 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1633141057 PVPPPPRVLITFCA-MRXNPFEDSA-N 408.495 1.603 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@](C)(CNC(=O)OC(C)(C)C)CC(C)C)CC1 1635992865 CPRKKILUJPFJPL-JOCHJYFZSA-N 422.570 1.457 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(C(=O)Cn3cnc(C#N)n3)CC2)CO1 1636400310 YLAXNTPLMMJPLF-AWEZNQCLSA-N 404.471 1.072 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1637756778 BNFIIUUNCAYQGY-MRXNPFEDSA-N 409.464 1.790 30 10 HDEE CN1C[C@@H](N(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC1=O 1637952188 JYMLQQHLZDTUKG-AQZMIJIOSA-N 404.511 1.852 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(CC#N)CC1 1639856539 PHRXCZYOFUSVOY-MRXNPFEDSA-N 407.492 1.526 30 10 HDEE CN(CC(=O)N1CCCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1642381756 KKOTWBOJGCWSSO-TZQQIIETSA-N 404.511 1.854 30 10 HDEE CN(CCN(C)c1ncc(Br)cc1C#N)c1ccc(S(N)(=O)=O)cc1 1642727963 NMGPLZCYSBMBCU-UHFFFAOYSA-N 424.324 1.936 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1n[nH]cc1C#N 1643356439 CIYIRWQZJDFOCZ-HQPKTYMTSA-N 405.505 1.932 30 10 HDEE C#CCN1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1644948212 OPCCKMVNADLDMU-UHFFFAOYSA-N 416.547 1.499 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CCOc3ccc(Br)cc32)c(=O)nc1O 1645047059 AEKXGOITMPYLCR-GFCCVEGCSA-N 405.208 1.223 30 10 HDEE Cc1c(C(=O)N2NC(=O)C[C@]23CCN(C(=O)OC(C)(C)C)C3)cnn1CCC#N 1645102673 LVZQIVIJMXYFJC-IBGZPJMESA-N 402.455 1.362 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1647925144 XYNHVKOQUFADTR-UHFFFAOYSA-N 424.486 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155615 JSQJODKUWABIBO-GDIGMMSISA-N 411.524 1.420 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)OC 1652012552 BNIWVFWQOXCVTG-VGWMRTNUSA-N 410.536 1.907 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Br 1655002055 JHUQTZAHNAOBHZ-UHFFFAOYSA-N 405.252 1.118 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C2CCC(F)(F)CC2)c1=O 1656778801 KRZLIAPKECXADR-UHFFFAOYSA-N 411.405 1.618 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)c([N+](=O)[O-])s2)CC1 1659906684 KQIPCGFZEJRHQO-UHFFFAOYSA-N 423.314 1.004 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2-c2csc(C)c2)CC1 1660880885 OZOVUTLEQNYHMQ-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1Br 1662964508 FCHWFDWRLDWATH-SNVBAGLBSA-N 418.244 1.675 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2ccc(OC)cc2)c1 1665739582 XPPBWNUZOZKUJY-UHFFFAOYSA-N 404.488 1.794 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)CC1 1667186535 NHSIBPZMQDYXPM-UHFFFAOYSA-N 414.506 1.352 30 10 HDEE N#Cc1sc(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)nc1Cl 1670814223 CNKKPMMBXBRGTM-SSDOTTSWSA-N 406.898 1.686 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1673201459 AAPMWYJGAQFDJP-UHFFFAOYSA-N 406.552 1.274 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1684078256 UMAJVIFQYSHXBV-UZLBHIALSA-N 414.506 1.548 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)c(=O)nc1O 1684687826 IDSIBRAMYBKWJK-CABCVRRESA-N 421.816 1.442 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1689826595 RBPIBUMCYLRDEH-XQQFMLRXSA-N 401.483 1.782 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689829339 XJALMGWKZVETJR-MDKPJZGXSA-N 416.547 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1689849589 OFXQTOTVQMMRHD-ARFHVFGLSA-N 404.515 1.848 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCC[C@@H]1CO 1689969260 QMDCRPXAFGWIID-HXUWFJFHSA-N 421.549 1.823 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)O 1690030210 QGFKIXDHHURNCW-IYBDPMFKSA-N 401.511 1.893 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2nc(C)c(C)s2)CC1 1690124956 XLIXMGVXFCYZCA-KRWDZBQOSA-N 400.552 1.853 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccs1 1690669764 OJYROBPIEHPBJT-KGLIPLIRSA-N 400.508 1.934 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccs1 1690669766 OJYROBPIEHPBJT-ZIAGYGMSSA-N 400.508 1.934 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccco2)C1 1690697238 RAKVVJVGUHASAA-MRXNPFEDSA-N 411.466 1.483 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1690725536 TZBSTCZTCLPOKX-HZPDHXFCSA-N 405.524 1.478 30 10 HDEE C=CCN(CC=C)C(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1692123715 BXJHGFGTFLCGSB-NHHWGVFUSA-N 401.551 1.971 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@]2(CCOC2)O1 1693772178 BQURJLPHGQKUGQ-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCOCC1 1696605003 BYDHCWGUQWAEEH-QGZVFWFLSA-N 415.542 1.470 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1705561172 QQZUGNLQJRJIKA-KRWDZBQOSA-N 417.535 1.258 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@@H]1C 1705585615 WBPWCPRNAYRVSO-KRWDZBQOSA-N 410.547 1.827 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC(F)(F)C2(OC)CCOCC2)CC1 1705632378 OCDYXYRIPMKDEP-UHFFFAOYSA-N 411.497 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)C(C)(C)C 1705666678 GSGGNKHFORWBIM-YZVOILCLSA-N 411.572 1.942 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705666984 HGJIWNVBFYCOPG-MRXNPFEDSA-N 417.514 1.752 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705828516 PXKXASMVBRJRLW-MSOLQXFVSA-N 402.499 1.656 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705884908 ARZHHUARSFCWCW-INIZCTEOSA-N 413.588 1.787 30 10 HDEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1705893469 JEUYAFJKFVNKJO-INIZCTEOSA-N 421.527 1.537 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705895988 ZFDFJBBFGSQXTP-RISCZKNCSA-N 423.315 1.545 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705896921 BRFHRHSFRFCJLV-KKSFZXQISA-N 423.558 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CC(F)(F)F)CC1 1705899016 FXGOCGRIAWARJX-UHFFFAOYSA-N 408.428 1.932 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705945289 HCIXCTLEXKGSOK-HUUCEWRRSA-N 406.512 1.971 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCn3nc(C)nc3C2)n1Cc1ccc(C#N)o1 1708757125 LPEHGPQHOKYBBQ-UHFFFAOYSA-N 423.481 1.630 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)C[C@H]1O 1711460889 XTJKCRVTBBWZBZ-BMGDILEWSA-N 412.494 1.127 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722349116 VMWVHCSCKXUDIQ-UHFFFAOYSA-N 410.503 1.708 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1722356401 NMGFZMULKHYIHK-UHFFFAOYSA-N 400.508 1.359 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722370649 PSLIEGLSDFGTQD-QZTJIDSGSA-N 422.551 1.573 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(N2CCCC2)CCOCC1 1722427709 MREQJGDQTKOMAE-LJQANCHMSA-N 417.554 1.861 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1722432023 VJZLJDJGLIABQQ-VXKWHMMOSA-N 419.570 1.481 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722459151 DHUUJHVWJKOPBV-QGZVFWFLSA-N 416.551 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1722510508 VCGPKMULFZBYGF-NCOADZHNSA-N 407.540 1.900 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN(C)CCOC)CC1 1722565797 BSNIUNFSNFHFJN-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OCC)CCOC1 1722622342 IKMOYDBJTOAKTL-FQEVSTJZSA-N 406.531 1.748 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722629077 MKAMFCJKAPASMP-KRWDZBQOSA-N 423.521 1.776 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1722631651 SJUVOAKRIDYBES-HNNXBMFYSA-N 412.560 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOCC1 1722694892 LRHZNMJEHNFSLB-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722726800 FNKRCECZJMGPPK-INIZCTEOSA-N 420.539 1.179 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1723042430 PWXQHXFUNXLRMX-NRFANRHFSA-N 410.478 1.216 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC2CC2)CCOC1 1723665397 VBJOYVZTBRSAJN-YWZLYKJASA-N 404.515 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1740553432 SBDDMACJXGYNPQ-CVEARBPZSA-N 412.519 1.643 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740608608 BYASJCILLURFAC-QKLQHJQFSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740624373 IKRNZOUKQOKIMG-RTBURBONSA-N 419.595 1.732 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1740626047 VGSFNMDYDAUNCW-MRXNPFEDSA-N 419.507 1.040 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1740652267 VEAKGULSXYJAIL-UHFFFAOYSA-N 424.530 1.449 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cn2ccc(C)cc2n1 1740659188 VWJWISFBZYAPMO-UHFFFAOYSA-N 415.501 1.868 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCn1cc(Br)cn1 1740687983 PHQHCPIPGOVZKK-OAHLLOKOSA-N 423.315 1.875 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCC(C(=O)NCCCN2CCCC2)CC1 1740711162 JJFIOMGUVKHCGS-UHFFFAOYSA-N 418.611 1.771 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1740788023 OGSQAUBNJJFJED-HOTGVXAUSA-N 415.560 1.342 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)CC1 1740838539 RWSMODUXTNHJEF-KRWDZBQOSA-N 409.556 1.610 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1740864471 NMDKOQDQTSRGAN-QGZVFWFLSA-N 409.556 1.595 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(CC)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1740925962 FKMFDQVNORCFDU-ROUUACIJSA-N 401.559 1.753 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740961727 XNHDAIGAGIAUPU-UHFFFAOYSA-N 417.558 1.507 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CC)C1 1740975160 MQNBRLUGDLKCKL-GHTZIAJQSA-N 424.509 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)C[C@H]1CCCO1 1740989957 DIDVQSJHJBHXCI-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CCCO)C1 1741983986 GJEJEAPIHZNULI-DYESRHJHSA-N 410.526 1.712 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748814337 DFWFZEMEQFLSID-XMTFNYHQSA-N 422.551 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H](N1CCOCC1)C(F)(F)F 1748903028 YUKKNDDPKBDZQU-INIZCTEOSA-N 413.444 1.541 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C(C)(C)C)no2)CC1 1748986739 JAYLGKSZCHXWJN-UHFFFAOYSA-N 408.510 1.768 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@H](CO)O1 1749051255 BFALOPXZJLPONV-CSODHUTKSA-N 403.527 1.729 30 10 HDEE C=C(C)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749204598 NOEZVLDLNPHSIW-CRAIPNDOSA-N 416.478 1.802 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1749225820 KFLUQQILXVNDHQ-INIZCTEOSA-N 407.515 1.657 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749512075 GLUCSTKQQRWTTM-WBVHZDCISA-N 423.477 1.278 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1749585757 COERXEZMPJDJFC-UHFFFAOYSA-N 420.521 1.812 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H]1c1nncn1C 1749669008 BOAKNLJCDZXCRW-CABCVRRESA-N 400.487 1.292 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)C1 1749708640 KUBVHEVPXZYYJE-WMZOPIPTSA-N 412.494 1.843 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCc2cnn(C)n2)C1 1749714429 JXRPDQHJVDQBOX-LJQANCHMSA-N 408.510 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1749732506 XNSNVJAYXNHSNY-HXUWFJFHSA-N 420.510 1.993 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)cc1 1751554851 DTMSJFUOXFLBAC-QGZVFWFLSA-N 412.494 1.620 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCSC1 1760165846 HUZHZAZRTUZRNM-FQEVSTJZSA-N 418.519 1.908 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1760236520 YPYGZPDVAZBGJK-LJQANCHMSA-N 406.483 1.017 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C)CCCC2)CC1 1760265320 WXNKWHOMWZJQFL-UHFFFAOYSA-N 414.554 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NCCC)CC1 1760269366 GIWJASHLAZMJEJ-UHFFFAOYSA-N 400.527 1.428 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)c2ccco2)CC1 1760270683 WBJBQAVMTOZEEP-QFIPXVFZSA-N 413.522 1.943 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(C)n2)CC1 1760382671 WFQLBKVVUJZGOR-MRXNPFEDSA-N 404.540 1.991 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)OC)CC1 1760524969 PIDBEKAANMLSMA-UHFFFAOYSA-N 411.506 1.869 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(C)C)CC1 1760553304 AHVJHFKPYGKWTE-INIZCTEOSA-N 409.556 1.702 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)C1 1761131011 AXZNCOYIRAJZPT-ROUUACIJSA-N 415.542 1.326 30 10 HDEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1768147846 IKNAQYSGYVRQQI-SFHVURJKSA-N 421.502 1.717 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cscn2)C1 1769058968 ANSVQEPRAULFKU-FQEVSTJZSA-N 409.519 1.976 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1769878737 ALVZXWLWCSOPJL-DOTOQJQBSA-N 411.510 1.739 30 10 HDEE COc1cccc(OCCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1770382914 RDCMMZWSSSYBPK-APWZRJJASA-N 413.478 1.988 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1)OC 1770778993 GETFFLTZLXUPNH-MOPGFXCFSA-N 415.494 1.864 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)C1 1771528777 DQLHHMYMUDQLTA-FZKQIMNGSA-N 404.471 1.715 30 10 HDEE Cc1nnc(N=C2S/C(=C3\C(=O)N(CC(=O)O)c4ccccc43)C(=O)N2C)s1 1772733873 CJSIYDJDPUJYAC-HFOGIIMGSA-N 415.456 1.882 30 10 HDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C)C1=O 1848976509 OYQDEORDOLLAJK-CRAIPNDOSA-N 421.563 1.896 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1849619193 UGJFFCMUYUNVJF-UHFFFAOYSA-N 402.454 1.541 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CCOCC1 1850652241 ABDUBRSNVCLBCH-MRXNPFEDSA-N 411.911 1.930 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCC(N(C2CC2)S(C)(=O)=O)CC1 1852635014 CFFYPVKUULDGAL-UHFFFAOYSA-N 407.492 1.361 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)COc3ccc(F)cc3)CO2)cc1 1853849904 ZQRQMVQIFNPLJX-INIZCTEOSA-N 406.391 1.624 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@H](N(C)CCC#N)C1=O 1854337516 HXJCSACEKSXZCT-INIZCTEOSA-N 409.446 1.218 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cncc(Cl)c2)C(=O)C12CCCCC2 1854427541 RBOAEXUYQLHCIV-UHFFFAOYSA-N 410.883 1.576 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854649545 DZTBYGVJECZJFF-OCCSQVGLSA-N 411.430 1.742 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3ncccn3)C2=O)CC1 1854865546 JMINLYKZCNFHQT-QGZVFWFLSA-N 406.446 1.275 30 10 HDEE CN1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)C1=O 1855997780 OKADOPWSCUQGNK-MRXNPFEDSA-N 402.882 1.700 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)CN4CCOC4=O)C3)CC2)cc1 1856008281 BZDWSACTFHVXNG-IBGZPJMESA-N 410.474 1.598 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccccc3F)C(=O)O2)CC1 1856653422 UHXPKSRUXQLOGW-INIZCTEOSA-N 409.439 1.281 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1856975303 LFNFMIHJUBMOFW-HZPDHXFCSA-N 409.895 1.543 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387067 BMNIPQQGRKJONQ-DOTOQJQBSA-N 416.501 1.618 30 10 HDEE COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(c2nc(C)cc(C#N)n2)CC1 1857970172 ZHONAMRFBLVDLE-UHFFFAOYSA-N 401.492 1.793 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)cc2)cc1 1858962244 BFXYUILSMJLNSW-UHFFFAOYSA-N 402.428 1.673 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1861596546 BSUVVCXHWZKTLR-HOJAQTOUSA-N 413.518 1.646 30 10 HDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CCOC 1869929281 DYWJOCUBIYFQTO-WMLDXEAASA-N 411.524 1.261 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccn1 1874277142 LGUKZUCINPGRBQ-IMRMQAIZSA-N 416.507 1.935 30 10 HDEE COc1ccccc1/C=N/n1c(SCCO)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874341221 DZBXXJXJSPKNJA-PZUDMAOCSA-N 403.508 1.978 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 1890125858 LKMKXSWYIGCSTD-UHFFFAOYSA-N 403.442 1.677 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 1890566057 CJGSJLSWQXEOOX-INIZCTEOSA-N 400.460 1.220 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C1 1891288653 SXOGMHGIKBVGOJ-MRXNPFEDSA-N 404.430 1.901 30 10 HDEE CN(C(=O)c1cccc([N+](=O)[O-])c1Br)C1CN(c2nccnc2C#N)C1 1892117065 TWYVBUUEWFTFSY-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE Cc1nc(=NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C)c(C#N)c[nH]1 1959321444 HBDSTWXPCLCMMJ-UHFFFAOYSA-N 406.487 1.909 30 10 HDEE C=C(Br)CS(=O)(=O)NCCN(C[C@H](C)O)C(=O)OC(C)(C)C 1962344698 IIGQMSRROOFASH-NSHDSACASA-N 401.323 1.432 30 10 HDEE C=CCn1ncc(NC[C@@H](CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2011519541 JYTGISZAUYPOCE-JTQLQIEISA-N 403.277 1.489 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)NCC#CBr)nn2)CC1 2077482381 GVVLEYYYRWMDIW-UHFFFAOYSA-N 412.288 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCN([S@](C)(=O)=NS(=O)(=O)CC2(C#N)CC2)CC1 2118166449 JHZCAZVEYIETOD-RUZDIDTESA-N 406.530 1.185 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 2174777355 IWLQKEJGRBFDLX-OAHLLOKOSA-N 403.545 1.806 30 10 HDEE CON([C@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2176075168 FTIBVWYHBPZVLU-AWEZNQCLSA-N 403.501 1.509 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 2181112195 XSKYHQVGBAPMLB-ZIAGYGMSSA-N 402.517 1.101 30 10 HDEE CC(C)(C)OC(=O)NCCc1nnc(NS(=O)(=O)N2CCC(C#N)CC2)o1 2203633535 ZRJSZVFBDKACBL-UHFFFAOYSA-N 400.461 1.029 30 10 HDEE CC(C)(C)OC(=O)N1CCOCC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243975991 XMZLXGNCULSQQY-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE Cn1ncc(C(=O)N2CCN(Cc3ccccc3)CC2)c1B1OC(C)(C)C(C)(C)O1 2247916566 ZXQSVXLAOCKDOC-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247920252 WOLAYUYWSMMBGV-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NOCCC(=O)O)cc2Cl)OC1(C)C 2269042435 ZEVIHSQWMIPQSU-UHFFFAOYSA-N 411.694 1.385 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1COCCOC1 2282315296 MDAQLXKVJYQLFM-UHFFFAOYSA-N 403.331 1.049 30 10 HDEE CC1(C)C[C@H](CO)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333865 UHTLZTFMEJEFGZ-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CCc1nnc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)s1 2282489918 GODMRHIYFWSUOO-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE COC[C@](C)(CCO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496457 BBXGAGSHTKSCDP-INIZCTEOSA-N 405.347 1.113 30 10 HDEE C[C@H]1[C@@H](C)OCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282500407 KRPSSUYZFUWGLG-NWDGAFQWSA-N 402.347 1.381 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@]3(CO)CCCNC3)c2Cl)OC1(C)C 2282654326 JRHRCDKGIDBNSM-KRWDZBQOSA-N 400.737 1.545 30 10 HDEE CN(Cc1ccsn1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282844959 LBHOFFNJGGEIMI-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CSC1CC(N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282865376 SSAGPHHCMIDTQW-UHFFFAOYSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)O)OC1(C)C 2284399942 PWADUSMOFHVGBM-ONGXEEELSA-N 405.278 1.233 30 10 HDEE CN(CCCCC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284403996 UZDSNMIRODKWSV-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284417626 NSFCSZGRQRDDFQ-JTQLQIEISA-N 421.371 1.532 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(N(C)C)cc1 2330796934 PBDKVDOFDRLIHJ-UHFFFAOYSA-N 418.523 1.908 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](F)C3=O)cc2Cl)OC1(C)C 2340175350 QPSKKPFASGPCSS-SECBINFHSA-N 409.697 1.960 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363530603 XCVXVOXHNPUUCN-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@]1(C)CCN1C(=O)OC(C)(C)C 2365196424 LYUDOSVZJZXJJT-CCKFTAQKSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@]1(C)CCN1C(=O)OC(C)(C)C 2365196425 LYUDOSVZJZXJJT-MDASCCDHSA-N 402.557 1.552 30 10 HDEE C[C@H]1C[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365249405 XPCZXBNYWCQMFH-UGSOOPFHSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789433 DCQIDBJGACRJJM-SCLBCKFNSA-N 401.481 1.484 30 10 HDEE C[C@@H](C[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)NC(=O)OC(C)(C)C 2367790741 WOMULRROROVSGB-KBPBESRZSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC 2367791489 YNZCXDDZTVZQBD-XHSDSOJGSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C 2367801893 WRJDNYUWBDMEAQ-HUUCEWRRSA-N 402.557 1.863 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CC)CNC(=O)OC(C)(C)C 2367821167 AUZRRWWXKGYSIA-DNVCBOLYSA-N 402.557 1.601 30 10 HDEE C=CCNC(=O)N1CCc2nc(N3CCN(C)CC3)nc(N3CCC(C)CC3)c2C1 34676893 XNRHOEGJJOPKMU-UHFFFAOYSA-N 413.570 1.718 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)nnc1C1CC1 59911769 BLRJAAVOPMXLTL-UHFFFAOYSA-N 417.539 1.723 30 10 HDEE N#Cc1ccc2ncc(CNCc3ccc(S(=O)(=O)N4CCOCC4)s3)n2c1 238037841 ODEYQUXYNYKAHM-UHFFFAOYSA-N 417.516 1.578 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)C1CCOCC1 405004274 ZTLIXMHUHIWNAS-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C=CCN(C(=O)[C@@H](C)S(=O)(=O)C1CCOCC1)c1nc(C(=O)OCC)cs1 429052383 FJGUJJSCLWKFMV-GFCCVEGCSA-N 416.521 1.821 30 10 HDEE Cc1cc2c(N3CCN(S(=O)(=O)c4ccc(C#N)nc4)CC3)ncnc2s1 444213034 AYBLDMOUFZNFQO-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3ccnn3C)nnc12 473659609 BEFAUXYEIBMSFQ-UHFFFAOYSA-N 423.502 1.714 30 10 HDEE CC[C@@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 478809243 BPDWLDLXTINNJG-NSHDSACASA-N 402.270 1.221 30 10 HDEE Cn1cc(-c2ncc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cn1 486001315 HKIKWEITPJNNQF-INIZCTEOSA-N 406.471 1.946 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1C#N 489294085 RCGACKWHBMNSSX-YJBOKZPZSA-N 419.551 1.263 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CCO1 499679297 UMLSNYDPQNTIQQ-QGZVFWFLSA-N 421.505 1.605 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 503082821 BAGIAYMTSUQUCI-IBGZPJMESA-N 410.492 1.847 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 503606226 APACLMUKRALLCR-ZDUSSCGKSA-N 409.273 1.931 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508818533 SVXXDDFXUUADCG-INIZCTEOSA-N 403.450 1.535 30 10 HDEE N#Cc1c(CCCNC(=O)CNC(=O)c2ccccn2)nn(-c2ccc(F)cc2)c1N 524606851 MMLSMOKOIAZPMZ-UHFFFAOYSA-N 421.436 1.339 30 10 HDEE COC(=O)c1cn(C2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)nn1 545447263 JWDCDPXHBJMWPR-IBGZPJMESA-N 405.455 1.490 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)CC2)n1 546189691 CPOUCNGEGLKSGZ-NRFANRHFSA-N 420.517 1.552 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 549394839 WUJPOLRESZYPEZ-BBRMVZONSA-N 423.416 1.782 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cn(-c3ccccc3Br)nn2)CC1 555094094 DDWWVHOYAMOOCJ-UHFFFAOYSA-N 419.327 1.450 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(CCC(=O)N(C)C)CC1 555243575 ZCMCQQAJCIQUKE-UHFFFAOYSA-N 419.574 1.373 30 10 HDEE CCOC(=O)c1csc(C2CCN(C(=O)NCCn3cnc(C#N)n3)CC2)n1 558145722 BYOMYYDOHYMARR-UHFFFAOYSA-N 403.468 1.372 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 559011108 PTAVDDDDRPKKLR-DLBZAZTESA-N 409.556 1.980 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 560814349 LIENQAHTYMRRFB-GOEBONIOSA-N 406.508 1.132 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H]3CCCO3)CC2)n1 564351405 SWHQVRMEJTYZJE-SJLPKXTDSA-N 409.494 1.554 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 573412211 GABGFSJAYBGNDL-MRXNPFEDSA-N 414.487 1.240 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N4CCC[C@@H]4C(N)=O)CC3)cc2C1=O 588703991 YVDINMZSRIINNV-GOSISDBHSA-N 410.474 1.023 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)CC1 588767847 KYDILQZKJIBGAX-UHFFFAOYSA-N 414.554 1.199 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccnc(N2CCN(C)CC2)c1 609029309 BKIQBCJGWDXHIT-UHFFFAOYSA-N 406.534 1.909 30 10 HDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C1=O 619843163 IFYCIQXDXNXHIA-QGZVFWFLSA-N 407.430 1.730 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 623010624 LRZSKAKAHQIIMT-UHFFFAOYSA-N 409.511 1.179 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 669806731 KMKALEQLBGDVLA-OAHLLOKOSA-N 409.556 1.451 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(F)c(C#CCO)c1 703985600 XKHFUPLSSCEOST-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cccc(OC)n2)C1=O 726114959 NNELOZFQIIJXRR-LTRAUPRXSA-N 413.503 1.664 30 10 HDEE CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729670196 LJHJRQXCCMNISH-UHFFFAOYSA-N 421.526 1.483 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 733891961 XFXWQZFSQNRUCX-HNENSFHCSA-N 418.400 1.166 30 10 HDEE C=C(COC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCOC)C(=O)OCC 734027075 GCQGGBQJNXGBRI-OAQYLSRUSA-N 416.430 1.274 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2cccc(-n3cncn3)c2)cc1 734706354 DZWIVTGNDGWZKY-GOSISDBHSA-N 402.414 1.930 30 10 HDEE COc1cc(COC(=O)CN2CC(=O)NC2=O)ccc1OCc1cccc(C#N)c1 735144045 NOVBUPZGDAIVBK-UHFFFAOYSA-N 409.398 1.741 30 10 HDEE CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc(S(=O)(=O)NC2CCCC2)cn1 741459807 IORCLWUSFNKGSE-OAHLLOKOSA-N 400.526 1.668 30 10 HDEE C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 746188929 IJCSWBZRTKXUQP-OAHLLOKOSA-N 421.397 1.489 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)cc1C#N 746685429 OUZKLKUATUATAL-UHFFFAOYSA-N 403.460 1.756 30 10 HDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)c[nH]1 753356267 ATUUDORNTSLTPM-UHFFFAOYSA-N 413.499 1.553 30 10 HDEE C#CCNC(=O)C1CCN(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 761659033 GGFOVHJCPTVBGZ-UHFFFAOYSA-N 401.488 1.707 30 10 HDEE CC(=NNc1nc(O)c2cnn(C)c2n1)c1ccc(N2CCCS2(=O)=O)cc1 769816926 JECXROKVWHNBIN-UHFFFAOYSA-N 401.452 1.445 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(Br)cn2)cc1 773524435 YJSXGNNFXMZJII-UHFFFAOYSA-N 411.281 1.633 30 10 HDEE CC(C)[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 777177606 NPXLAKJORCDLPB-IAGOWNOFSA-N 404.488 1.726 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(C)c1 786911972 JSGJZBIQHBWSGI-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1)c1cc[nH]n1 789958107 PATPXGNMACUQHB-INIZCTEOSA-N 420.853 1.947 30 10 HDEE CN(C)[C@H]1CCOc2c(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cccc21 790242581 PIFWYEQSTXTDQF-INIZCTEOSA-N 414.487 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@@H](C#N)C1 790856026 GKSLEAPFDFIPPZ-HNNXBMFYSA-N 408.455 1.972 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793469750 RFXIPRKUIAIYBK-UHFFFAOYSA-N 419.466 1.048 30 10 HDEE C#C[C@@H](CC)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191855 HGRWMKQRACFQTK-AWEZNQCLSA-N 416.532 1.678 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 804880599 JOHUVUPNRNUJIK-IAGOWNOFSA-N 417.462 1.603 30 10 HDEE C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)CCCC#C)[C@@H]2CCCC[C@H]21 815098444 KDSSZOHAWFLBDU-QZTJIDSGSA-N 400.566 1.402 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)CC2)cc1Br 816057750 NJRTZGURZHVOQP-VIFPVBQESA-N 400.254 1.042 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(C)c2)c1=O 838648319 HQCQQNYGEZGFAP-UHFFFAOYSA-N 419.510 1.066 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCc2nnc(C3CCC3)o2)n[nH]1 1084628924 RUUGNFMSMPWYRL-UHFFFAOYSA-N 417.499 1.999 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1=O 1129457264 HRZXMVXEYKSVFN-MRXNPFEDSA-N 424.457 1.750 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C[C@H]1CS(=O)(=O)C2 1134649872 PUFMJRZGPUTUCM-SGIREYDYSA-N 411.277 1.149 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2nnnc2-c2ccccc2)CC1 1135762801 SDQSIAJOTPSQDA-LJQANCHMSA-N 405.437 1.888 30 10 HDEE C=C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 1136244596 HVWIKPVNFRSMFK-LJQANCHMSA-N 414.531 1.619 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1136743365 PPNHVVFLHMFGPK-OALUTQOASA-N 424.586 1.759 30 10 HDEE CCOC(=O)CN1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1137190689 XMXXQEJGCCFNOT-MRXNPFEDSA-N 410.515 1.671 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 1144429217 OTNYKJIDINBBNV-ZPHPHTNESA-N 403.460 1.269 30 10 HDEE C=CCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1154100444 GTOKJSYZOYWJML-WMZOPIPTSA-N 412.577 1.969 30 10 HDEE O=C(NCC#CCO)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1155733825 ZXPRYEOCFPCBJH-HOCLYGCPSA-N 414.321 1.154 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(CC#N)cc1 1162121620 NZQGBSRZWUEDAV-UHFFFAOYSA-N 402.432 1.711 30 10 HDEE CS(=O)(=O)c1ccc(OCCn2cc(C#N)c(I)n2)cc1 1166399380 DXHKWRUFHHZXIS-UHFFFAOYSA-N 417.228 1.842 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1166518332 MFLGZJWKLJSILM-VKJFTORMSA-N 405.520 1.938 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 1166622364 DUQYFYMPAIITAB-KYHPRHEASA-N 419.547 1.903 30 10 HDEE C#CC(C)(C)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1169242927 DGNVOGLKZXICIX-HOTGVXAUSA-N 407.536 1.767 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccncc2Br)c1 1170998708 CMKPAFRYMWGTLL-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE CCOC(=O)CC1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)COC1 1179900197 SVIFJBVWRXYEIX-RDYUPDBUSA-N 421.494 1.612 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)C[C@H]2CCCS2(=O)=O)c(=O)c1C#N 1183325969 YDKLLCBVWTVUNH-SNVBAGLBSA-N 402.270 1.137 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)C[C@@H]2COc3ccccc3O2)C1 1189040104 GDSSYMAYIKVKDQ-SOUVJXGZSA-N 423.491 1.505 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c(=O)nc1O 1192714939 GSEQAPMPLJZXHM-UHFFFAOYSA-N 420.781 1.054 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC(F)F)cc2)CC1 1197749606 ZHYFUPLOJCDEJE-UHFFFAOYSA-N 404.464 1.618 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 1211848502 CUPLMBRMUZNLKE-KBPBESRZSA-N 419.322 1.661 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1nc(C)n(C)c1Br 1212416122 YKVVEVHFMAQEQU-UHFFFAOYSA-N 406.302 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1286302446 MVLZHEGKCSZFPP-MRXNPFEDSA-N 408.506 1.609 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286334869 BWOMXWJUIZFUQC-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C#CCCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286359604 FMGTZWFINAKLFD-LEWJYISDSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1286363962 VSQFACPFRAOZKW-LGGPFLRQSA-N 416.547 1.926 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCCO[C@H](C)C2)CC1 1286491357 OHUWRXGJSUIVNC-GOSISDBHSA-N 416.570 1.307 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N(C)C 1286525217 NKVVOAHJGPOYOK-LJQANCHMSA-N 402.524 1.147 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1286607374 GRBGFMHAYWEOTQ-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1286716395 DRPGEKDDEDCTNT-NRFANRHFSA-N 407.559 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1286783640 XQVWVAYYZXMXPQ-ZDUSSCGKSA-N 404.833 1.769 30 10 HDEE C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1288624683 GLEGRNSVMIWVIU-JKSUJKDBSA-N 420.525 1.600 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1290674359 FFQBCTNCAXKJSI-DOMZBBRYSA-N 402.252 1.917 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)cs1 1292747222 YRKVEJAGWVQMGM-PXAZEXFGSA-N 424.527 1.689 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1299240775 DXANLRORJRMDNU-MRXNPFEDSA-N 423.502 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1300275622 XDGGFZLZIOEQQB-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1300381374 DFKSGJABAWAGAP-AWEZNQCLSA-N 400.449 1.903 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300398849 BESFLIISECTMGI-UHFFFAOYSA-N 417.517 1.631 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1300431157 DOSRKALCUZOAIM-HXUWFJFHSA-N 405.499 1.478 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1300671059 AXRLCCZZQSTYTP-MRXNPFEDSA-N 424.505 1.812 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCOC1 1301379851 WBJLIVPRXFMJIH-FQEVSTJZSA-N 408.466 1.251 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1301475300 PJIMPMMSJKRCTR-AOIWGVFYSA-N 420.558 1.225 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(Br)c2)cc1 1301860474 BODJZDLSBWXBOI-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1301964499 BAHVMMWEZVYWGR-LSDHHAIUSA-N 418.571 1.784 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1302137797 FYRGGCVHWMGAEV-QGZVFWFLSA-N 423.477 1.481 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2csc(C(F)(F)F)c2)CC1 1302924550 PAEDJILLEPXSDP-ONEGZZNKSA-N 407.439 1.392 30 10 HDEE Cn1c(=O)[nH]c(N2CCC(N(CC3CC3)C(=O)OC(C)(C)C)CC2)c(C#N)c1=O 1306986041 CTDNKWFTMGOYPV-UHFFFAOYSA-N 403.483 1.561 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1Cl 1308008432 LJAGEGKGWAWPML-INIZCTEOSA-N 410.927 1.345 30 10 HDEE Cc1oc(NC(=O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)c(C#N)c1C 1308062850 XAPVLCZPJFJUOE-IKGGRYGDSA-N 402.495 1.838 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1313191713 YOVZLKMLCGYZRU-UULLZXFKSA-N 403.504 1.511 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1314760210 FCVGMIVPDCQNRI-ZPHPHTNESA-N 421.465 1.170 30 10 HDEE COC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1)OC 1315802301 GVRYEFGUXXKSBV-OXQOHEQNSA-N 403.458 1.981 30 10 HDEE COCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1316267819 YUDYYRUEQZTGPX-CRAIPNDOSA-N 415.450 1.182 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)c1cnn2cc(Br)cnc12 1319963519 UNNSBWBZKMWCHI-UHFFFAOYSA-N 406.221 1.371 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358910066 BQRQJGHSCXYENW-UHFFFAOYSA-N 408.466 1.059 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCN(CCC)CC1 1358930127 OTTFSJKMKKKWFC-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1358944375 QXTJKPHDIXEHIY-UHFFFAOYSA-N 400.508 1.558 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1358961486 ZZJLAFCTUJTYDR-AWEZNQCLSA-N 400.464 1.245 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ncnn1C(C)(C)C 1359007659 QPDPTAZAYZQFNR-UHFFFAOYSA-N 410.482 1.860 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCC(=O)NC1CCCCC1 1359024794 WEDLMRITHIUEMF-KRWDZBQOSA-N 403.527 1.707 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CN(C)C1=O 1359025891 BXYQSXFJJSEVFI-IBGZPJMESA-N 402.524 1.198 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1359054796 IBOVWUUCYCPZCB-MRXNPFEDSA-N 413.551 1.844 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CC1 1359107878 XJCCWSPUMFDQGC-SHZVTRLKSA-N 403.574 1.202 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359239925 AIGQKQMPGQUTPQ-OAHLLOKOSA-N 409.556 1.451 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1447480893 HAMLQXUALNNVLN-MJBXVCDLSA-N 412.487 1.401 30 10 HDEE N#Cc1ccc(CNC(=O)Cn2nc(Br)c(Br)n2)nc1 1450781273 SMLRQNMIDOJWKC-UHFFFAOYSA-N 400.034 1.386 30 10 HDEE CCN1CCN(C2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1456243568 HHXMMSLYHOOOAD-UHFFFAOYSA-N 404.555 1.485 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](C)SCc2nc(O)c3ccccc3n2)CC1 1459466519 NYNXBJXKGVTNRX-AWEZNQCLSA-N 412.515 1.945 30 10 HDEE C#CCNC(=O)CN1CCN(CCCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1460157075 IWASCLZDENAAIK-UHFFFAOYSA-N 406.571 1.781 30 10 HDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C[C@@H](O)COc1ccc(CC#N)cc1)C2 1460392303 UQUAWPGGWZIOIJ-SVMVAKDDSA-N 402.491 1.782 30 10 HDEE CC1(C)CC[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1 1464031729 JBDGEFXROBLUHD-KRWDZBQOSA-N 405.520 1.986 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)Cc2ccccc2F)CC1)C(=O)OC(C)(C)C 1464597147 MUUNAIAFFZXZFA-UHFFFAOYSA-N 417.481 1.909 30 10 HDEE C#C[C@H]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1468751974 IOTWPWKQZLJNIR-KRWDZBQOSA-N 404.536 1.178 30 10 HDEE CN(CCCn1cnc2c(N)ncnc21)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1469142660 CNZNHJLFFSSDGN-OAHLLOKOSA-N 418.461 1.182 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1469815734 VOVUTIKDAFBEEA-HNNXBMFYSA-N 400.479 1.952 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)cc1 1470640528 OMLYLQGMDNZRSZ-HXUWFJFHSA-N 415.490 1.655 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCN(c2ncc(I)cn2)CC1 1470935283 OMRXXAIRVBKAPO-AWEZNQCLSA-N 402.236 1.057 30 10 HDEE N#Cc1cn(CC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)c(=O)nc1O 1471943503 LHFDYCULDOJAHP-LBPRGKRZSA-N 419.239 1.127 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCC#C[C@H]1CCCCO1)c1ccc(S(C)(=O)=O)cc1 1472312038 TZWMMZTVNIWWII-YLJYHZDGSA-N 406.504 1.130 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2ccc(C#N)c(Br)c2)CC1 1472688305 XHKCFTVBRXVIOG-AWEZNQCLSA-N 409.328 1.984 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)nc1 1473512943 HQEQTFAZBWTVJH-PKOBYXMFSA-N 408.458 1.731 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)CC1 1476425244 NKZIASREBHKBOP-UHFFFAOYSA-N 406.295 1.193 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)C1 1477455181 ZLQFPLDBFOCQQH-FQEVSTJZSA-N 413.566 1.604 30 10 HDEE Cn1cnnc1N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1478475430 AVWYOOIGIIYQSI-UHFFFAOYSA-N 410.482 1.304 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CC(=O)N[C@H](C)CCC)CC1 1483985894 NIVCXUWBCGOSMD-UCTAPSKPSA-N 401.551 1.641 30 10 HDEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1492557325 GUYDAUMNXNOSEK-KUHUBIRLSA-N 403.508 1.399 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1COCCO1 1496790572 NKOVOXMQPXDZJF-QGZVFWFLSA-N 404.515 1.742 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1503704064 QELBBZOTXLSJMX-CKJXQJPGSA-N 418.542 1.904 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1504659033 FYFDZYRNCPKAKW-CQSZACIVSA-N 421.461 1.666 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507634199 XAQZHUFLSWOZNG-KZNAEPCWSA-N 404.536 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCc2ccccc21 1507664489 AECXSYHIZVZJPZ-HSZRJFAPSA-N 400.486 1.976 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1507668953 FMXBZJCXSHOQDP-GOSISDBHSA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1507690633 UPRIZPPTCIHBLP-FXAWDEMLSA-N 405.568 1.449 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCc2cccc(C(N)=O)c2)CC1 1507730203 NXMQMDGSOUCRIB-UHFFFAOYSA-N 408.550 1.964 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508155315 LWGBEPIOYNEAFQ-KRWDZBQOSA-N 415.567 1.813 30 10 HDEE CC1=CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1511393550 CVWHSNVHYNVJFV-ZPHPHTNESA-N 406.450 1.418 30 10 HDEE C[C@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1512253914 ODLKEMRTXQEIHU-CVTQAYBASA-N 407.478 1.779 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC#N 1516846851 HPUBCMXRQRVGDC-CYBMUJFWSA-N 420.495 1.351 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1517577536 RXRWSKVVNWJIIU-JOCHJYFZSA-N 421.505 1.400 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCO1 1517658180 UUSFRUWUOHTFIJ-YNEHKIRRSA-N 402.925 1.852 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1525110234 VOTRJXJQPOKRRI-OAHLLOKOSA-N 404.444 1.440 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C2(C#N)CC2)cc1 1525241276 LIIIQVKCRUEHFH-MRXNPFEDSA-N 404.488 1.823 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCNS(=O)(=O)c1ccccc1 1528913120 QKLHPIJPWFQHGW-MRXNPFEDSA-N 424.523 1.668 30 10 HDEE CC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(Cc2ccccc2)CC1 1537005439 HTXUDYCUIPWWIA-GHTZIAJQSA-N 401.532 1.685 30 10 HDEE CCOCCCN(C[C@H](C)C(=O)OC)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1538346956 WNDMHKWUKLULEU-WMZOPIPTSA-N 415.490 1.975 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1538963092 ARSFRHUUAUTSGE-CQSZACIVSA-N 416.913 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1538978006 ZKHSVLYGMAWEJB-BTYIYWSLSA-N 412.494 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1539005798 VKYBTBADLUNSHN-QFBILLFUSA-N 410.522 1.676 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539219200 BLPYAGQHDYSVHX-BBWFWOEESA-N 424.592 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccn(C)n1 1539245249 BXALLNBAFGZIJJ-UHFFFAOYSA-N 408.487 1.203 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCCC1=O 1539415754 GOAAYZDVNUWVIE-GOSISDBHSA-N 403.527 1.661 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539900988 ZQEIXJQDFIXKMU-INIZCTEOSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCC)CC1 1540869371 KPANZDMKBLNXPP-HZPDHXFCSA-N 404.515 1.317 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)N(CCC#N)CCN1CCOCC1 1542438780 VZQNUOIJTIQLHP-RCCFBDPRSA-N 406.527 1.564 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1543921407 XAPQBVQATRPACP-QUCCMNQESA-N 419.497 1.430 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 1544571434 HBRLLOAYRKDMIJ-QBYUYEEZSA-N 412.494 1.641 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2c(cccc2C(=O)OC)C1)c1cc[nH]n1 1556910647 JRVFODREMFTVES-UHFFFAOYSA-N 414.418 1.065 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CCS(=O)(=O)c1ccc(C#N)cn1 1560223169 SJJCKZLBHJMKMN-KRWDZBQOSA-N 401.444 1.032 30 10 HDEE C#CCN1CCN(S(=O)(=O)N=[S@@](C)(=O)c2cccc(Br)c2)CC1 1561483655 LGPFXXOFFMDASD-QFIPXVFZSA-N 420.354 1.401 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1566978776 PTSSFSWCQDFKFE-JTSKRJEESA-N 421.538 1.875 30 10 HDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1568501338 GWCRWVOZUZXXRS-ROUUACIJSA-N 410.861 1.989 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(C(=O)NCCN(C(C)C)C(C)C)CC2)nn1 1570656962 WGDWDVSJTCWDPS-UHFFFAOYSA-N 404.559 1.941 30 10 HDEE N#C[C@@H]1CSCCN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1583725631 IEUZVCYZJXCMGF-CQSZACIVSA-N 421.320 1.988 30 10 HDEE Cc1nc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)nn1-c1n[nH]c(C(F)(F)F)n1 1583812603 ZNEZFZADKATHND-LBPRGKRZSA-N 420.355 1.390 30 10 HDEE CO[C@@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCS(=O)(=O)C1 1584690387 GPAKXFWMTQZELO-OAHLLOKOSA-N 417.281 1.019 30 10 HDEE C#CC[C@H](COC)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1586386073 LPTXXKPMKVKNQU-GFCCVEGCSA-N 408.398 1.408 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCc3ccc(C(N)=O)nc32)cc1 1586811834 QSXJOLZBISLFJW-UHFFFAOYSA-N 412.471 1.851 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C1CCOCC1 1587810083 NVYNWLMSMSPXLH-VGOFRKELSA-N 413.474 1.315 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588053319 CKENWZFJLMRIFI-BZSNNMDCSA-N 424.567 1.817 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1588059584 QMYFELKYOOLJHM-GOSISDBHSA-N 420.510 1.671 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCc1nc(C)no1 1588173469 BEJSLERZSZFNQD-UHFFFAOYSA-N 418.461 1.713 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(COC)c1 1588638868 XSFSZZZODPEZFL-SFHVURJKSA-N 415.469 1.649 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cc(C)cn2)CC1 1588769054 NSZTTWVJWGNFKL-UHFFFAOYSA-N 420.477 1.814 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1593689747 DUPWGBRXPPNTMI-HCXYKTFWSA-N 405.543 1.735 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1593730550 ZXHAHWUEZGONMN-UHFFFAOYSA-N 423.525 1.696 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1595421701 TYJDEBXDOHGNQR-CQSZACIVSA-N 413.511 1.352 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595477189 SBUIFAQOSMUVKI-INIZCTEOSA-N 402.543 1.933 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CCN1C1CC1 1596810510 VHBKBWPPNRNKOU-BHIYHBOVSA-N 400.454 1.934 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 1596977916 KGBYIQCPLJFMCW-SFHVURJKSA-N 418.457 1.722 30 10 HDEE C=CCNc1ncc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)s1 1603251461 AAAVMMODWRSNLE-GFCCVEGCSA-N 421.523 1.691 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1 1615897357 WSCQDXBVYUONHO-LJQANCHMSA-N 401.559 1.897 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1617487571 OUXZUABJXBNMFB-HZMBPMFUSA-N 403.338 1.624 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCOCC1 1620419803 JFYXSOSVECZZKS-MOPGFXCFSA-N 407.536 1.964 30 10 HDEE N#Cc1ccc([C@@H](C(N)=O)N2CCn3ncc(I)c3C2)cc1 1620610627 YVVJVYROZFPIPU-AWEZNQCLSA-N 407.215 1.402 30 10 HDEE C=CCN(Cc1cn(CC(=O)OCC)nc1-c1cccnc1)[C@@H]1CCS(=O)(=O)C1 1621167708 PCMYBPIDIOFJNA-GOSISDBHSA-N 418.519 1.683 30 10 HDEE COc1ccc(NC(=O)C2(C#N)CC3(CC3)C2)cc1S(=O)(=O)N1CCOCC1 1624318063 RBJLORJTRVTGFF-UHFFFAOYSA-N 405.476 1.739 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCCc2nn[nH]n2)cc1 1625218959 XSHAUYQOPPCGBE-XLNRJJMWSA-N 419.511 1.754 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)Cc2ccc(F)cc2)s1 1626656240 UKIDVCXEZBXDNH-OAHLLOKOSA-N 412.508 1.614 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2cc(C(=O)OC)ccc21)c1cc[nH]n1 1627045456 GKVVAMRFLPAEBH-UHFFFAOYSA-N 400.391 1.069 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)c1 1628600387 AQOCDJXFQLODHC-SFHVURJKSA-N 412.421 1.253 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CC(=O)N(c3cccc(S(N)(=O)=O)c3)C1)C2 1631130767 ZPLXFQGUKCYCQV-INIZCTEOSA-N 410.455 1.101 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)C2)c1 1634259927 LKHJRZIRJMZZNS-UHFFFAOYSA-N 418.501 1.705 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(N3CCOCC3)CC2)ccc1F 1634267327 SFCPXTGEIMKDKK-UHFFFAOYSA-N 411.499 1.227 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CC[C@@](O)(CC#N)C3)c2)C1=O 1635181462 FSHGGMZMEHNGTJ-SFTDATJTSA-N 411.462 1.472 30 10 HDEE C=CCONC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1635640897 RBDJIGODBGNTCD-CYBMUJFWSA-N 419.297 1.216 30 10 HDEE CSCC[C@@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)c2ccccc2C1=O 1635905620 GFKVGBHABYISPF-KRWDZBQOSA-N 400.504 1.462 30 10 HDEE COc1ccc(CNC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1C#N 1636728574 RFDPJOQTCIJHPP-UHFFFAOYSA-N 400.435 1.949 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@@H]1CCOC1)C(F)(F)F 1639956962 WEYQAPLRIBZSBQ-QMTHXVAHSA-N 405.398 1.199 30 10 HDEE C#CCn1cc(CNC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)cn1 1640012801 MCRXJJMOCRHVBK-UHFFFAOYSA-N 412.494 1.755 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1CCn1ccnn1 1640538083 TXZGYTPBXJHZMM-RDJZCZTQSA-N 416.507 1.288 30 10 HDEE CC(C)COc1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1Cl 1640637205 VIATWAMYGRAVFF-UHFFFAOYSA-N 403.826 1.601 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccccc1Cl 1640924736 STQQSIBTSYZPJQ-UHFFFAOYSA-N 414.911 1.812 30 10 HDEE COc1cc(OCCN(C)C)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1642801014 CHOIZRKLOZRLOD-VXPUYCOJSA-N 402.451 1.491 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1643513395 WGYUKJPBHZUDAE-KRWDZBQOSA-N 419.503 1.823 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)C1 1643691413 DWTTWULBRUXVEH-BFHYXJOUSA-N 405.520 1.929 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1644470380 YRJJIVCPFAHWOR-OKZBNKHCSA-N 419.547 1.768 30 10 HDEE CC(F)(F)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1645607150 JBWZPHWJSIRWJD-UHFFFAOYSA-N 400.451 1.292 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)Cc3nnc4c(=O)[nH]ccn34)n[nH]2)c1C 1651135210 KFSRHLSCVIXCJZ-UHFFFAOYSA-N 407.438 1.079 30 10 HDEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1651348373 OAGDKTFZSFYXDT-UHFFFAOYSA-N 400.460 1.544 30 10 HDEE N#Cc1c(N2CCC(C(=O)NCCCN3CCOCC3)CC2)ccc([N+](=O)[O-])c1N 1651549526 FEGPXRRHNDKNSH-UHFFFAOYSA-N 416.482 1.104 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)[C@H]2CCN3CCO[C@H]2C3)n(Cc2ccco2)c1C 1653688067 XTYAQRCRTPHSAS-PMACEKPBSA-N 411.506 1.961 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CC1 1654113047 BIIGASJZOQPODC-GOSISDBHSA-N 402.520 1.433 30 10 HDEE C=CCC1(NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 1655079324 ZQQNBTVIFIITAF-UHFFFAOYSA-N 421.563 1.802 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CCOCCO)C2CCC2)CC1 1659395515 VVAXQMGPQCSJPQ-SFHVURJKSA-N 406.552 1.320 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1670465390 DXPPFBLSWDCXAT-GOSISDBHSA-N 406.504 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1672282334 OUCNMIGPYWNWTE-VKJFTORMSA-N 422.526 1.487 30 10 HDEE Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)NCC#CCN(C)C)CC3)n2)cc1 1676930950 ZSOKRALLZMDDNX-SFHVURJKSA-N 410.522 1.998 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(CCOC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1678007724 IDGONILUTYKICH-KRWDZBQOSA-N 408.543 1.751 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1678910436 UTNZQMQWRJMGDF-SFHVURJKSA-N 415.490 1.412 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)Cc2ccc(OCC)cc2)CC1 1682979493 HXBNNBRNPYLUSN-KRWDZBQOSA-N 422.551 1.059 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1683684384 VDAYTRURRQWJFK-UHFFFAOYSA-N 418.441 1.757 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)nc1 1683926494 SAFMCJGCTWZHMB-UHFFFAOYSA-N 412.538 1.676 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCO[C@@H]4CCOC4)CC3)n[nH]2)cc1 1684326372 JVJKNFBLXWJJJK-GOSISDBHSA-N 410.478 1.585 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)n1 1687729516 ICPPEFLGACUYLV-UHFFFAOYSA-N 424.530 1.821 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689854783 HTTJZDSPGXNKHJ-SJLPKXTDSA-N 413.497 1.961 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1689856820 WEIKYJZBGCZWSK-MRXNPFEDSA-N 404.474 1.634 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1689988325 MTYHLXLZBVSGHI-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1690059028 HIAQSHZGQMMJRJ-CABCVRRESA-N 405.524 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCCC1 1690100907 HFQJPJSVBIEWSC-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(N)=O)C1 1690237136 VWHHVHSZRKTADF-ZOBUZTSGSA-N 418.542 1.489 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCCOC2)C1 1690674144 QNYLDYFUXMSYKU-HXUWFJFHSA-N 416.551 1.943 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)N(C)C)C1 1690694804 VXJBGWYBAAJUKW-OAHLLOKOSA-N 423.514 1.757 30 10 HDEE CC(C)(O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1691350871 PWFAQCWRLRPYMI-GOSISDBHSA-N 424.505 1.519 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCC(C)(C)O)CC2)c1C#N 1693405759 FEWUGCWWPMRCKZ-UHFFFAOYSA-N 412.542 1.947 30 10 HDEE CC[C@@H](C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1694201505 LBEKOYISAGEKIZ-CABCVRRESA-N 415.498 1.465 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nnc(C)s2)CCOC1 1696050460 BCNVHEQVYSLDHE-ZWKOTPCHSA-N 421.502 1.775 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1CC(=O)NCC(F)(F)F 1698058137 AMNWYYBPOFYSPD-UHFFFAOYSA-N 414.388 1.892 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCNC(=O)C2CCC2)cc1 1698488213 DXTHEBMFJUDXMN-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCCCO)CCN1C1CC1 1698492517 HKRWNHCFABSFJW-GOSISDBHSA-N 415.542 1.130 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)CC 1705500876 BWSKKACNOGZSTN-OAHLLOKOSA-N 406.508 1.758 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705572066 PVGVZHIWYGWLPI-DLBZAZTESA-N 406.508 1.103 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1705574252 YPGPJIAXBRAENG-CQSZACIVSA-N 418.523 1.295 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705629085 WUMMOZQFZJMJIX-GBESFXJTSA-N 419.570 1.756 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2occc2C)CC1 1705632241 KEKJAHUUVYILRN-UHFFFAOYSA-N 405.462 1.630 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1705717958 WNXJMEQJCIOKDM-MAUKXSAKSA-N 415.560 1.174 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705728075 UDNKIXBYIAQILD-GOSISDBHSA-N 401.559 1.193 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1705730173 GPDISCGFJQQBEO-HUUCEWRRSA-N 401.533 1.096 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1705735981 YYLWJVZRAGTPPL-NVXWUHKLSA-N 401.467 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccs2)C1 1705922197 IBHBKJGCPCAQAC-STXHMFSFSA-N 417.535 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC([C@H]2CCOC2)CC1 1705937861 GVQRAZOPWPKFPM-KRWDZBQOSA-N 412.556 1.668 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1706965105 KXJWUNVZYQGCAJ-WCLQXYBISA-N 419.526 1.731 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(F)F 1710898927 SCBFDEOPOMAHNR-UHFFFAOYSA-N 412.466 1.847 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711058537 YPNXFLBGLODWIH-HFUDNHEJSA-N 402.499 1.791 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2C)CCO1 1711360352 GTBGIQWNMCADLA-MNEFBYGVSA-N 424.505 1.441 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712875882 SKNDWEAPSJNPFF-IYOUNJFTSA-N 406.849 1.975 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365465 DRGPGYDQZQPCNC-QZTJIDSGSA-N 404.536 1.909 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1722439451 CHVSHNHWHSMVIM-SFHVURJKSA-N 422.524 1.342 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1722634371 DKPGDWSPTVIWEX-UHFFFAOYSA-N 400.439 1.758 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1722692273 YIQPDBLQRKWATF-UHFFFAOYSA-N 412.560 1.002 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1723785303 IERLEPUXRZAGBJ-RCDICMHDSA-N 421.505 1.528 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1723836520 CCAUUYNYMOKFOZ-HKUYNNGSSA-N 424.553 1.715 30 10 HDEE CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1728537060 DOYCTCPSTGHBOL-LPHOPBHVSA-N 417.539 1.575 30 10 HDEE CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729158442 BAGIZPKXWKLICD-HZPDHXFCSA-N 412.498 1.195 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CCO1 1731190088 OTUNZPSYOQEPFK-DLBZAZTESA-N 401.515 1.224 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 1739627445 ZLLQRJNVHFCMQY-YENHRIDLSA-N 400.519 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1740531117 FUHGZAMINGVESA-ZDUSSCGKSA-N 412.885 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1740548648 HSLNKZCIJAHWGV-ZDUSSCGKSA-N 419.507 1.289 30 10 HDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740592179 YZMXPIUILZXIHD-UHFFFAOYSA-N 402.543 1.453 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCNC(C)=O 1740650535 DLSFCXCXJHHTHL-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccco1 1740665787 PRZPGNUBCSIHAG-NRFANRHFSA-N 418.461 1.881 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN(C)C)c1 1740683921 GZMCEILYDQCASM-LJQANCHMSA-N 410.522 1.425 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1740722084 DFUKZWBAQVZAKP-BBTUJRGHSA-N 419.595 1.970 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCOCC1 1740989949 CXNPPCRMSUOQOZ-UHFFFAOYSA-N 401.492 1.864 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2csc(C)n2)CC1 1748989621 ADZMXLVIVABKQU-KRWDZBQOSA-N 400.552 1.935 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOCC1 1749005091 GCVCAWOUJMAZRI-QGZVFWFLSA-N 412.494 1.405 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)CCN1CCOCC1 1749044242 PXNDBFIJCZNIAQ-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC(C)C)C1 1749044493 REOXRFKJZNCGTM-QGZVFWFLSA-N 421.567 1.397 30 10 HDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749096019 DYORHBNQTATEJK-DGCLKSJQSA-N 410.272 1.542 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749220684 NRXDFILSPIBXNE-INIZCTEOSA-N 420.539 1.451 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749450955 YNZPKHZGNILAAF-JKSUJKDBSA-N 404.515 1.256 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1750387757 AEMUJUBANNAQMB-GOEBONIOSA-N 419.482 1.171 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1751763791 PGNDXDMIOIVWES-JSGCOSHPSA-N 408.553 1.664 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760157121 FBOGXVAZRMXBDB-QGZVFWFLSA-N 423.546 1.860 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760162519 VHTSBFTVCGDHBH-RTBURBONSA-N 416.570 1.970 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)c1occc1C 1760165484 UISQNLHLCWKCRH-OAQYLSRUSA-N 415.494 1.721 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760187902 LTBBCQJTAOSNIL-QGZVFWFLSA-N 406.552 1.868 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(C2CC2)C1 1760211053 AABWPBGGZNNULI-CVDCTZTESA-N 411.550 1.877 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCOCC1 1760245455 FAYCYRXKYHVLHB-UHFFFAOYSA-N 400.479 1.581 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)cc2)CC1 1760258426 WJGQHPUOTGLUQJ-UHFFFAOYSA-N 418.505 1.441 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1760383514 SBODBGPCSOEYIY-FQEVSTJZSA-N 415.498 1.240 30 10 HDEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760428730 FBNHPTKCGWUCGB-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1760433640 JMBJGLNXYQUTQI-UHFFFAOYSA-N 403.508 1.593 30 10 HDEE C=CCn1c(COc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760512706 BNBDTWRGVSFKCM-HUUCEWRRSA-N 402.451 1.412 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H]1c1nncn1C 1760527512 ZIGQXJNXIWYCRW-SFHVURJKSA-N 420.521 1.836 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCOCC2)C1 1760541726 GQTRQIMDHHKSOF-JKSUJKDBSA-N 421.567 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC=C(C)C1 1760554039 PGYPMUJBVNCNQR-UHFFFAOYSA-N 419.507 1.763 30 10 HDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CCC1 1765616590 CKHMIRAIMVCZFA-HNNXBMFYSA-N 401.515 1.303 30 10 HDEE CCOCc1nnc(N2C[C@H](C)CC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1766265371 SDMXFSSFUSXYEI-RHDHSSKXSA-N 402.499 1.966 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1766679415 GXRMZYBXQCEVNF-KRWDZBQOSA-N 422.442 1.730 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1768186323 HPCVTSUITVGFAW-NRFANRHFSA-N 412.494 1.822 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC(=O)NCc2ccco2)CCO1 1770748695 QIVIRRYDRUYGOD-QGZVFWFLSA-N 424.436 1.646 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H](C)O1 1770940290 FSHARXUUGHRBSS-QAPCUYQASA-N 412.494 1.535 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1771272707 QYAPERHKEIFFCB-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCC2=O)CCO1 1771536815 CGEREWJGHNZSSS-IAGOWNOFSA-N 402.499 1.303 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)c1 1849523936 FQFCDTPCSNVIIO-UHFFFAOYSA-N 408.853 1.739 30 10 HDEE C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851193010 MKEREGUJFVNJTA-JXFKEZNVSA-N 408.458 1.847 30 10 HDEE Cn1ccnc1S(=O)(=O)C1CCN(CC(=O)Nc2ccc(CC#N)cc2)CC1 1853083486 HQWVZDNGTPHJMG-UHFFFAOYSA-N 401.492 1.363 30 10 HDEE Cc1nnc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C3(CCCC3)C2=O)o1 1853703494 HSDCOBOVOLIXNY-UHFFFAOYSA-N 409.446 1.926 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@@H](F)CC2CCC2)C1=O 1854283616 JVGDDIBIGTXPMB-WMZOPIPTSA-N 414.485 1.515 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(c4cccc(C)n4)CC3)C2=O)CC1=O 1854928921 TTYMTPHCEFKYPT-UYAOXDASSA-N 410.518 1.731 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2F)[C@H](C)C1=O 1855012357 FWEJMDCIOGWBNK-CYBMUJFWSA-N 412.421 1.278 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1855014388 FKUJMFJYVKHGQJ-AEFFLSMTSA-N 401.511 1.591 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C(=O)C2)C1 1855029456 TXQVXXMXHAZGIG-HXUWFJFHSA-N 406.490 1.204 30 10 HDEE N#CCC(=O)N1CCN(Cc2nnc(C3CCOCC3)o2)C2(CCCCC2)C1=O 1855485133 VFRYESRZFUATOC-UHFFFAOYSA-N 401.467 1.751 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1855597839 KYJGOURWRKNGLM-ZWKOTPCHSA-N 409.490 1.720 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCC2 1856217103 UKSLXFAWMJXJJA-MRXNPFEDSA-N 416.547 1.833 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2cc(F)cc(F)c2)C2(CCCCC2)C1=O 1856421441 IPFICFBMEJTKQO-UHFFFAOYSA-N 411.430 1.941 30 10 HDEE Cc1nnc([C@@H]2CCCN(C[C@@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)o1 1856867431 UDTAFBQLNSMUDD-DOTOQJQBSA-N 408.462 1.903 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4cccnc4)C3=O)CC2)c1 1857010080 IOSKDBPZLXVBEL-LJQANCHMSA-N 405.458 1.880 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C[C@@H]2CCCCO2)C1=O 1857038211 RXIQUQURESSMRV-GJZGRUSLSA-N 405.476 1.815 30 10 HDEE Cc1ccc(C)c(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857039559 WELBZZMOQBDRAU-LJQANCHMSA-N 417.531 1.786 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN([C@H]3CCCCC3=O)C3(CCCC3)C2=O)CC1=O 1857117375 OGWBREAHZAKACA-SJORKVTESA-N 401.507 1.516 30 10 HDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCn1ccnc1 1869933849 PVDASGXXQDQNDK-WMLDXEAASA-N 403.508 1.543 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CSc1nnnn1C 1870292730 PJMSZSIPCBPBRJ-UHFFFAOYSA-N 416.463 1.138 30 10 HDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(C)CC1 1870491927 ATODKPNMUYDGGR-UHFFFAOYSA-N 402.539 1.609 30 10 HDEE CN(C)[C@@H](CN1CC(=O)C(c2nc(O)c3ccccc3n2)=C1N)c1ccc(O)cc1 1872729988 DTNJLPOMFISKDG-KRWDZBQOSA-N 405.458 1.856 30 10 HDEE COc1cc([N+](=O)[O-])cc(/C=N/n2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 1874564426 DSGWHJCZBVAAKO-TUVHXFJTSA-N 420.451 1.796 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(C(F)(F)F)n3)CC2)CC1 1889238928 WTGXWPVOQGSXRL-UHFFFAOYSA-N 424.467 1.972 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1890155530 MTXYHIQEYYNFJV-UHFFFAOYSA-N 414.506 1.857 30 10 HDEE Cn1cc(-c2cnc(OC3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2)cn1 1891738836 VKOVJAOKJJDZLB-UHFFFAOYSA-N 424.486 1.981 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CC(NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174786960 OWNYRFGCISZALW-UHFFFAOYSA-N 405.492 1.622 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCCN1CCCN(C(=O)OC(C)(C)C)CC1 2174786976 PASFLSPVAMMSCV-MRXNPFEDSA-N 402.561 1.644 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@H]1CCS(=O)(=O)C1 2180116813 FCPPMUHXMLLGHO-ZNMIVQPWSA-N 402.488 1.230 30 10 HDEE CN([C@@H]1CCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1)S(C)(=O)=O 2235499125 DAJIUNQDXXTCNU-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243405487 HGKHWDWAUJGBBS-HUUCEWRRSA-N 403.288 1.776 30 10 HDEE CC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243424002 JMTZOAKZLJIORX-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247814691 TXVGVKJEAWJPMQ-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247834013 PMSCFSKCLUMNAP-CQSZACIVSA-N 420.319 1.809 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2247857441 UTNIZYGVLYRPAD-HIFRSBDPSA-N 419.331 1.967 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)COCc1ccccc1 2247858228 LSMKYPFNSSAVDF-UHFFFAOYSA-N 414.315 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2247929432 FLMHSTFHZVDKBV-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2COC[C@@H](C1)N2C(=O)C#CB1OC(C)(C)C(C)(C)O1 2247933299 UBGAMEHPQVJNIQ-JKSUJKDBSA-N 420.315 1.858 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281822189 JAYICWCVORCHQM-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)c2Cl)OC1(C)C 2281937136 WDVIFLYFXCZTPU-APPDUMDISA-N 401.721 1.659 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)c1nc[nH]n1 2282309441 FNJZFFUTNROGDF-MRVPVSSYSA-N 418.737 1.858 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1NCC[C@H]1C 2282322806 QWTAHWZKXXNFGB-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE CO[C@H]1COC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338689 PCUPSLWEVQTLCF-OLZOCXBDSA-N 403.331 1.082 30 10 HDEE CONCCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282507157 CNDRPHFVPDKEIX-UHFFFAOYSA-N 404.725 1.459 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CNCCSC2)OC1(C)C 2282509889 QWISBEGCFHMTPD-ZDUSSCGKSA-N 418.415 1.172 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282610593 YWJSLRPGLAKLGJ-RSNKEIGGSA-N 401.725 1.619 30 10 HDEE CN(C)[C@H]1COC[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282638828 SBYJYCCENPEXGU-NEPJUHHUSA-N 400.737 1.760 30 10 HDEE Cc1cc(C(=O)NCC(C)(C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282689090 DBJSFISRKKCZPU-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE COC1CC(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838818 UZQRPSZPUZLICV-UHFFFAOYSA-N 402.347 1.287 30 10 HDEE C[C@H]1CC(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282841247 TXDQIHAPHQNMAQ-WDEREUQCSA-N 400.331 1.529 30 10 HDEE CC[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)COC 2282842390 XPSKJJCJTOLLAM-LBPRGKRZSA-N 404.363 1.534 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N1C 2282861638 QPOXWZASPKTZPC-STQMWFEESA-N 400.375 1.808 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284394358 XKCOBWPRYSJNTL-JTQLQIEISA-N 403.693 1.733 30 10 HDEE CN(CC(C)(C)C(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284400460 WGVQPQTWTGXGDB-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401476 AWRQQQGZRACYKY-MFKMUULPSA-N 403.331 1.825 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@H]2OCCC[C@H]21 2288372444 YTHUIPCPEKHDCC-FEIHFNIMSA-N 402.513 1.727 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)c2cncc(C#N)c2)CC1(F)F 2361774787 XBUSUYKADRHFQN-OAHLLOKOSA-N 402.423 1.876 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2365205318 ADCTYHJDKFKEPG-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367805681 DJKJIZUBSHVVBO-OAGGEKHMSA-N 400.541 1.163 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)CC1(S(C)(=O)=O)CCC1 2368843944 GYDNAKPKAABGMZ-UHFFFAOYSA-N 400.375 1.841 30 10 HDEE CN1CCOC[C@@H]1C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369901879 NXSWAMHZTXJLME-GFCCVEGCSA-N 400.737 1.648 30 10 HDEE C#CCCN1CCN(C(=O)c2nnn(-c3cc(Cl)ccc3OC)c2COC)CC1 26926 BAXNVVWDGJPEGM-UHFFFAOYSA-N 417.897 1.857 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)C2)c1 238922694 UFRDRAROFWMSHJ-HNNXBMFYSA-N 401.444 1.957 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)N2CCN(C)CC2)[nH]1)c1ccc([N+](=O)[O-])cc1 253570813 OCZNDVSVUJWJQS-XDHOZWIPSA-N 418.483 1.415 30 10 HDEE CC(C)(C)OC(=O)N1CCN(/C(N)=N/Cc2ccc(CN3CCOCC3)cc2)CC1 303790810 WWSDTCCNENCOFS-UHFFFAOYSA-N 417.554 1.886 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3ccccc3O)CC2)cn1 436636207 QCMMOEJQONRMCC-UHFFFAOYSA-N 417.429 1.834 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 438593741 CVWRXOWJGBNMAN-UHFFFAOYSA-N 422.441 1.918 30 10 HDEE CCN(CCC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 439133730 MQRDAVMXWCIQHV-UHFFFAOYSA-N 416.297 1.565 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)c(F)c1 439744823 ZKWDCROGNALOLA-UHFFFAOYSA-N 421.432 1.721 30 10 HDEE Cc1c(NC(=O)C(=O)NCC2CCC(C#N)CC2)cccc1S(=O)(=O)NC1CC1 443331139 OBQIKKRUIGUEBY-UHFFFAOYSA-N 418.519 1.820 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461302542 TVSFVJBJAMUKMU-CQSZACIVSA-N 408.509 1.138 30 10 HDEE CCCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 462093634 RPVOOQLLPOZEEN-INIZCTEOSA-N 402.480 1.960 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 463879647 BWCWQVFTEGSZHC-ZBFHGGJFSA-N 421.519 1.805 30 10 HDEE CCOC(=O)c1ccc(C#N)c(SCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)n1 476832355 VTRLEUQCOGWDKA-MRXNPFEDSA-N 420.535 1.695 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)ccc1F 488721485 CNVQZSDEKHZVCI-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2C)c1=O 502002378 LTDPVTJVQRQBPJ-UHFFFAOYSA-N 408.483 1.448 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)CC1 503631584 ZBLSCQPCKHWWEN-UHFFFAOYSA-N 416.437 1.681 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 503987313 NQKPXCGWIWWLKO-MJGOQNOKSA-N 419.489 1.812 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 505621063 JRMDPNACCHGIJE-UHFFFAOYSA-N 411.462 1.438 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](C(=O)OC)C1 508832473 KSGHONYBTDNAKL-AWEZNQCLSA-N 418.523 1.814 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C 512741865 AXBMBJQHALKRES-UHFFFAOYSA-N 421.526 1.453 30 10 HDEE Cc1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cccc1S(N)(=O)=O 513727475 KMBIDYKAQBDPEZ-UHFFFAOYSA-N 402.451 1.616 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2OCC2CC2)c1=O 516829041 DADGGJWNRCJEAG-UHFFFAOYSA-N 421.522 1.666 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OCCOC)c1=O 531199253 SBFXUQFCSYCBGZ-UHFFFAOYSA-N 424.522 1.993 30 10 HDEE Cn1ccnc1CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 533277780 UBARJSIDYTXSQZ-UHFFFAOYSA-N 404.478 1.234 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN([C@H]4CCCC[C@@H]4O)CC3)CC2)n1 545509399 WEOPEJCRTOLCGC-PMACEKPBSA-N 412.538 1.553 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 554256889 MXSZKXPOERWDMK-NRFANRHFSA-N 411.550 1.461 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1C[C@H]3COC[C@@H](C1)O3)CCCC2 562750100 UTTVPGZPDDBZLY-YESZJQIVSA-N 414.506 1.456 30 10 HDEE N#Cc1c(NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)n[nH]c1C1CC1 563996304 PRHLQDKDPLQPHA-GOSISDBHSA-N 400.442 2.534 30 10 HDEE COc1ccc(C)cc1NC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585226924 HYPIWRLYMNYELN-UHFFFAOYSA-N 408.462 1.637 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 609640575 FVZIWGALJLEXCC-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cccc3cnccc23)c1=O 611916103 GEZPGHGNWBHTEY-UHFFFAOYSA-N 422.510 1.134 30 10 HDEE C=CCOCCNC(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 679505109 PGTSPEFLQNUBDY-UHFFFAOYSA-N 417.897 1.920 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCNC(=O)C[C@H]3c3ccccc3)C2=O)cc1 726587227 WMMHSFWJBNKYOB-FQEVSTJZSA-N 417.469 1.843 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCN1C1CC1 732701619 NUTBCLJKBCGJOC-HXUWFJFHSA-N 410.522 1.107 30 10 HDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 733202971 ZKQKRPTYOZGLPN-WFASDCNBSA-N 422.532 1.449 30 10 HDEE C[C@@H](CC(=O)NCC(=O)NC1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742596494 ZQJWUOLKGWITCN-ZDUSSCGKSA-N 406.508 1.069 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 747254959 UJZQHISJJINRSP-UITAMQMPSA-N 412.471 1.650 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 747864713 DXLMTYRWEQRORS-OAQYLSRUSA-N 406.527 1.060 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 749518556 DQZCSHCEXAMINA-CYBMUJFWSA-N 407.492 1.305 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750676969 FRJOWLRSEVZSBW-HNNXBMFYSA-N 409.533 1.842 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755556483 ZQFGZSGLUPURKV-NHYWBVRUSA-N 406.414 1.648 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(F)cc1 756284972 BUOTWBWOEVWKKY-ZDUSSCGKSA-N 424.475 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)CC2(C#N)CCCC2)CC1 759003862 JWKGJEBSTCOWAW-UHFFFAOYSA-N 414.528 1.069 30 10 HDEE COc1cccc([C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766625844 GBAVSBWQKSZNGF-QGZVFWFLSA-N 415.471 1.334 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)OC)c1 767177993 ULQKGNGELWDZDW-INIZCTEOSA-N 414.483 1.802 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C#N)cc1 767450244 WLQPZRXAGFXJPW-HZPDHXFCSA-N 404.419 1.951 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC2(CCO)CCOCC2)c1 772420328 IAVKPTHWENCTQP-OQKWZONESA-N 424.523 1.553 30 10 HDEE C#CCN(C(=O)NCc1ccccc1CN1CCCC1=O)[C@H]1CCS(=O)(=O)C1 774168370 WERDSBRYPYWBAB-SFHVURJKSA-N 403.504 1.141 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)CC3(C#N)CCCC3)c(=O)[nH]c21 779314050 DQJFNNAROBWFFS-WAYWQWQTSA-N 417.491 1.849 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C1CC1 780255423 KNTWPJNSCDIILS-NHCUHLMSSA-N 415.446 1.424 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780930536 PNEOUTSGARTMIR-SFHVURJKSA-N 402.495 1.603 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1 780940268 PAOLXJOWBIDNSV-JOCHJYFZSA-N 406.486 1.837 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](OC(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 781417156 XUQXEGZFYXXLSV-NEPJUHHUSA-N 401.435 1.734 30 10 HDEE C#CCN1CCC(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 805230898 CYOHMQPZPIPBFX-MRXNPFEDSA-N 415.490 1.278 30 10 HDEE C=C(Cl)CNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 809687455 ZNTWVEOIAYUHDR-UHFFFAOYSA-N 401.916 1.504 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C#N)c(OC)c3)C2=O)cc1 810868274 OHSGRFGRCHRPTD-QFIPXVFZSA-N 422.441 1.659 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812051506 REQFUTANIIRUNI-DOTOQJQBSA-N 403.508 1.117 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(CCS(=O)(=O)c3ccc(C#N)cn3)CCO2)C1 814663478 JUHRVNIOFKDFKO-UHFFFAOYSA-N 422.507 1.049 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)C2)ccn1 856542929 MHTPFQKSZBXUCY-QFBILLFUSA-N 409.556 1.713 30 10 HDEE C#CCCOc1ccc(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1136573212 FVWGMDBUVRGAML-UHFFFAOYSA-N 407.474 1.347 30 10 HDEE CC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)C1 1137307361 ZHHWCGATWHAIFJ-GFCCVEGCSA-N 405.296 1.836 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)ccc2C2CC2)CC1 1140132509 HJGGHFHONYICQR-UHFFFAOYSA-N 404.308 1.834 30 10 HDEE N#CCCn1ncc(C(=O)N2CCN(CC(F)(F)CO)CC2)c1-c1ccccc1 1143939149 CIJMXTOMNHMDNM-UHFFFAOYSA-N 403.433 1.849 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1144429293 QQSLHGDPZOQWEH-LVMLQMGMSA-N 422.482 1.044 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1144923725 UVBUKKTYGXSWKL-YOEHRIQHSA-N 409.464 1.029 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1ccc(C(C)(C)C)cc1)c1cc[nH]n1 1149935503 NUJXUGPDMJSJGA-QGZVFWFLSA-N 416.478 1.841 30 10 HDEE N#Cc1c(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)ccc([N+](=O)[O-])c1N 1162482499 IMGWVQIBPJTRSX-IBGZPJMESA-N 406.446 1.976 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)C2 1163383331 XGTCUAUUOOUFCJ-MJGOQNOKSA-N 415.446 1.364 30 10 HDEE CN(CC1CCCCC1)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166615427 VLYFYXDVSVHZOZ-UHFFFAOYSA-N 418.494 1.262 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OC 1171470123 NOSCBNSDHYXEAU-NEPJUHHUSA-N 403.888 1.416 30 10 HDEE C#CCN(CC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1)C1CSC1 1171875060 AYNWQYSBQKRDPX-SFHVURJKSA-N 404.557 1.998 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SC[C@](O)(C(N)=O)c1ccccc1 1188466072 OOOZDOKEVSFDBJ-OAQYLSRUSA-N 415.563 1.958 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@H]1CCC[C@H]1C#N 1196833342 RESDOJYMXDQPJO-YJBOKZPZSA-N 424.954 1.797 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 1197068524 CWGDVZIFQQFPCZ-UHFFFAOYSA-N 405.410 1.789 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1251455507 PIOLZGJENODALT-QGZVFWFLSA-N 408.462 1.908 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)C1 1254630375 MVFFVFRWEKUEGY-WOJBJXKFSA-N 400.523 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1286299482 WBTFJGZTYKAFOO-IAGOWNOFSA-N 407.584 1.903 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286325312 UNBCGNMFTDEVRG-FXAWDEMLSA-N 406.552 1.991 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1(O)CCOCC1 1286365135 TWHCIHALWZHSQG-UHFFFAOYSA-N 416.478 1.582 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386464 AEAOYZFJHVOCJF-MSOLQXFVSA-N 415.563 1.830 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)CC1 1286507016 ARFRYJPRMYUXEZ-UHFFFAOYSA-N 414.560 1.452 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286508300 QBLHFZFWRYQVRJ-IBGZPJMESA-N 418.592 1.963 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286510374 QQNSWTOWVKUKID-OAHLLOKOSA-N 400.570 1.585 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCOCC2)C1 1286606814 BMAJXLYVBRDOGH-UHFFFAOYSA-N 402.499 1.657 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cc(CO)nn2)CC1 1286647586 ISPYKIAOGIILQS-UHFFFAOYSA-N 411.514 1.470 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1286828181 IGQVYBWRPWSQRA-UHFFFAOYSA-N 416.555 1.592 30 10 HDEE CN1C[C@H](C(=O)N(C)CCc2cccc(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1288042636 OWIQURGPHRVXRH-QGZVFWFLSA-N 400.479 1.637 30 10 HDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)c1 1290279197 ICYLLHBINWYZKM-IBGZPJMESA-N 421.505 1.998 30 10 HDEE C[C@@H]1C[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCC#N)CC2CC2)CCO1 1291022107 BPXZXHQLRCIERV-INMHGKMJSA-N 424.571 1.833 30 10 HDEE CCc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1293182748 XZDWNGMZOPQGML-JFVSRZABSA-N 418.408 1.887 30 10 HDEE CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](C#N)CO)c1 1297879567 BQRQSFRBKDNKAC-GFCCVEGCSA-N 411.842 1.918 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)s1 1299565418 TYHAZEAAGUNJSZ-QGZVFWFLSA-N 409.471 1.786 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2ccccc2NC1=O 1300146005 HCWBWYSHEBWTKE-MRXNPFEDSA-N 412.471 1.185 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@](C)(O)c1ccccc1 1300230245 YGNSRQCYPSDMNL-XOBRGWDASA-N 401.488 1.528 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1300431552 HVKKOGUVPMGLQC-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1300579860 YMAQOOJNHQXWJR-QZTJIDSGSA-N 405.506 1.775 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300625342 FLMBQHORGHFTQM-CVEARBPZSA-N 415.460 1.895 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2(O)CCC2)n1 1300681601 VNKUPLNOCWGBTK-UHFFFAOYSA-N 422.493 1.133 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccccn2)CC1 1300719991 YLHUMOSSXZXCIT-UHFFFAOYSA-N 417.517 1.887 30 10 HDEE COCc1nc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cs1 1301211158 BBWJVPYXADKYLC-INIZCTEOSA-N 411.491 1.644 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@@H](CN2CCOCC2)C1 1301737220 MZZRRKGPRJZWJD-SFHVURJKSA-N 403.479 1.285 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1302099290 UHEIHKWTASSLJU-VCBZYWHSSA-N 405.455 1.232 30 10 HDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N1CCCCC1 1302338121 GDXRFLQIDGMNLK-YWZLYKJASA-N 403.506 1.936 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCn2ccnc21 1303807993 QLSDMNIQYVHUGN-KKUMJFAQSA-N 420.543 1.401 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(Cc4cncc(C#N)c4)C3)[C@@H]2C1 1308030137 WXOFNEYXZPAAPK-KSZLIROESA-N 413.478 1.968 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)C1 1316526647 AFNKMYVHLBOADI-YZVOILCLSA-N 406.462 1.114 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1316532199 NBYSZYVRLQTGRG-SUMWQHHRSA-N 424.889 1.719 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 1353619865 OTNZECPBNWAVII-SFHVURJKSA-N 408.524 1.032 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1358891404 FUFOFRUNEDQFRB-AWEZNQCLSA-N 409.943 1.920 30 10 HDEE C#CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1358928126 TVQKIIOSVCKWRI-UHFFFAOYSA-N 419.489 1.415 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1358999509 UFXUMGFKIBSYPX-UHFFFAOYSA-N 422.533 1.859 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1359000301 REDYISKSMVRWDL-WBVHZDCISA-N 405.524 1.736 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359054511 XZPQZPRRSYROBT-GOSISDBHSA-N 414.579 1.809 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359057310 WTPLRCIOXZDRDW-BRWVUGGUSA-N 423.608 1.220 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1359246085 PCVYMQRMUVYSRX-UHFFFAOYSA-N 409.556 1.882 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1359340102 BCAJIGKOVWDXNO-UHFFFAOYSA-N 404.540 1.924 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1440684133 MNVYTQKEXUDBAR-OQIJWPOYSA-N 405.495 1.890 30 10 HDEE Cn1nccc1[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1449708594 WHOXSIVDJMCYSQ-YVEFUNNKSA-N 406.439 1.507 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)CCc3ccc(C#N)cc3)CC2=O)C1 1456830252 ZKKAPXMDROIIAY-KRWDZBQOSA-N 412.490 1.827 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)CN(C)C)nnc12 1457849874 JDOHYUZKLXEBKD-UHFFFAOYSA-N 414.535 1.779 30 10 HDEE Cc1oc(NC(=O)[C@@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1460645740 VPQNIJSKACDNPT-GDBMZVCRSA-N 408.524 1.290 30 10 HDEE Cc1oc(NC(=O)[C@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1460645743 VPQNIJSKACDNPT-GOEBONIOSA-N 408.524 1.290 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN3CCOC[C@]3(CO)C2)c1 1460851895 WLOTXTZFXVWZNY-SIKLNZKXSA-N 400.523 1.318 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 1461048584 UWVIHBWLWBQXRB-STQMWFEESA-N 402.563 1.807 30 10 HDEE COc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C#N 1462316151 WLNGBJMNNIFBSI-UHFFFAOYSA-N 421.500 1.830 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)c(=O)nc1O 1465596993 DFLBATCZNOHSRJ-AWEZNQCLSA-N 417.397 1.339 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1467824458 ZBVWHRQFOBGONT-ZIAGYGMSSA-N 407.433 1.672 30 10 HDEE Cc1ccc(C(=O)NCCCN(C)S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1470072198 UPSRFOXNKILHDK-UHFFFAOYSA-N 410.345 1.306 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCc2ccccc2NC1=O 1470667646 BBNHAWMEPXJRSB-PBHICJAKSA-N 405.462 1.522 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)c1 1471068934 OGLOSEAVRJFLSW-UXHICEINSA-N 403.442 1.785 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)C1 1471789882 TVXQTBBKXDVTDV-UWJYYQICSA-N 401.463 1.830 30 10 HDEE CNS(=O)(=O)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 1473515792 CWJMDJQHPLCHKI-UHFFFAOYSA-N 422.555 1.112 30 10 HDEE COC(=O)c1cccc2c1OCCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1473845004 DCRMNYBVRPSYAC-UHFFFAOYSA-N 404.422 1.967 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)C1=O 1476921102 XYXNMFAPPQTCFP-BCOMRZATSA-N 421.523 1.652 30 10 HDEE C[C@@H]1C[C@H](CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCO1 1493294977 GTZPESNMRGKKMW-BRWVUGGUSA-N 402.499 1.334 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1503864126 SPZMNZVDRYTTHY-UTKZUKDTSA-N 411.462 1.622 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOCC2CC2)cc1 1505317296 QJCIFOWLKYKWBX-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507596932 RKWLASVQTPJCHF-HAGHYFMRSA-N 417.554 1.572 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1c(C)cccc1C 1507600365 FYMMKPBXMHCVCR-MRXNPFEDSA-N 405.524 1.654 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1507605883 WSJSGVHMPMSKCM-UHFFFAOYSA-N 423.521 1.640 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CCOC)c1 1507618438 OEJGORNMQSBZSZ-UHFFFAOYSA-N 413.507 1.230 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507631300 CQEXJKVJHCAXMB-NCOADZHNSA-N 419.551 1.292 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507634976 OVNNDWIDWRYTCR-QZTJIDSGSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC)c(OC)c1 1507637452 KGRPLWXBVPVIMC-UHFFFAOYSA-N 409.490 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507646564 WOSGPEYQZAHTQN-LJQANCHMSA-N 416.485 1.384 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@](C)(CC)O1 1507660110 MERCFQZPNBNNSY-QKLQHJQFSA-N 421.567 1.699 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1507692564 XNIYYUIHYFVMTA-UHFFFAOYSA-N 400.430 1.772 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1Cc1cccnc1N1CCOCC1 1507713122 YKVAJPXKFGXFSL-UHFFFAOYSA-N 410.522 1.912 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCn1cccn1 1507809003 RZQHQMJEEREAEQ-YLJYHZDGSA-N 413.526 1.715 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507951098 NUNGQENLDYBMHC-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1508113173 VNONMNUWIQPXHM-MRXNPFEDSA-N 412.494 1.404 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(C)=O)CC2)C1 1508116629 HNKUDXXZCWICFL-SFHVURJKSA-N 411.510 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508140290 HQBAWFHPKADZIC-IBGZPJMESA-N 407.540 1.395 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1509943030 ARVIFCKPCGHHKM-ACJLOTCBSA-N 423.926 1.886 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCC2)CC1 1517608322 FULHKEFLTCZVKQ-UHFFFAOYSA-N 422.537 1.764 30 10 HDEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1519007240 GHAXIJGZUBOLBU-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC1CC1 1519437001 SRWQRGWXOSSDDW-MDKPJZGXSA-N 416.526 1.658 30 10 HDEE COC(=O)[C@H](CCC(=O)N[C@](C)(C#N)CSC)NC(=O)OCc1ccccc1 1520694514 VXSADNUPKKMKPG-HNAYVOBHSA-N 407.492 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1525467007 YSOZSAQRHOMKKP-OCCSQVGLSA-N 422.461 1.652 30 10 HDEE N#Cc1c(NC(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ncc2c1COCC2 1529422455 DXGBRIOZHMKAFG-INIZCTEOSA-N 405.458 1.980 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1539116825 SIXJCGPJAVOIRB-UHFFFAOYSA-N 405.462 1.709 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)c(Cl)c2)CC1 1539446225 VNRBVRAMZUNWAO-KRWDZBQOSA-N 416.888 1.825 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(F)(F)F 1540869031 AAAWGAGNPNITAR-UHFFFAOYSA-N 400.361 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCOCC1 1540907272 QLZYUJWWSQQWCU-UHFFFAOYSA-N 406.508 1.603 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1540913861 VTIJTVGRUFUWPB-UHFFFAOYSA-N 411.539 1.714 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1541116745 USFNWNYYNIKOPX-VBKZILBWSA-N 404.465 1.810 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCn1cc(Br)cn1 1541634134 ASFUUGPIGFTYJU-LBPRGKRZSA-N 423.319 1.814 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1544030569 JILVJCKTJBNOQJ-SREVYHEPSA-N 420.531 1.823 30 10 HDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1557361448 XHBIBONSOZLPKG-SJLPKXTDSA-N 413.474 1.918 30 10 HDEE C[C@@H]1Cc2n[nH]cc2CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1560143548 FAISZTOMBQKWPF-IERDGZPVSA-N 410.497 1.952 30 10 HDEE CN1CCN(C2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)CC1 1561845424 BQUVNTMKCSLKKO-UHFFFAOYSA-N 416.469 1.978 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1565157099 YIIIARMCQAULQX-QZTJIDSGSA-N 408.543 1.751 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@@H]3CC(=O)N(C)C3)c(C#N)c2N)cc1 1565362667 WPSXJABRKOUJGU-MRXNPFEDSA-N 423.521 1.735 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCCS2(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1566786960 MWLFIBWOFDMIFL-MRXNPFEDSA-N 407.341 1.991 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1568992331 DYRGSWIKZBVSQR-RHSMWYFYSA-N 411.480 1.581 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)cc1 1583866648 FWPPHYHTQCBDRR-QYZOEREBSA-N 418.515 1.792 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)cc1 1584314674 BOVMXNYNUSOBAB-IRXDYDNUSA-N 408.549 1.188 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1584675453 DLJIVYXCVZMIQM-UHFFFAOYSA-N 424.523 1.488 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cc(F)cc(I)c2N)CC1 1584986150 JYAVIUQSXLWVLS-UHFFFAOYSA-N 402.211 1.730 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1585278774 HYBSISJLFBWRSI-ICSRJNTNSA-N 403.498 1.487 30 10 HDEE Cc1ccc(C(=O)Nc2c(C)nn(C)c2N2CCC2)cc1S(=O)(=O)NCC#N 1586208275 NPHSCOMXTMEQJY-UHFFFAOYSA-N 402.480 1.301 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCCC2)c(C)o1 1586777638 JQYSCOADAINDQM-UHFFFAOYSA-N 410.492 1.790 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](C(C)C)N2CCOCC2)c1 1587683191 DMASBLLFCLIODY-OAQYLSRUSA-N 424.549 2.000 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1587798063 ATMYCBYPUXRSGU-UHFFFAOYSA-N 424.480 1.920 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1587898016 CWLAUAJHXVFGJR-ABSDTBQOSA-N 422.551 1.431 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1 1588181108 OXNYHEXSIJWBMX-KRWDZBQOSA-N 420.583 1.226 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCOC[C@H]1OC 1588673631 VFORCBXAUSYDLZ-SJLPKXTDSA-N 419.551 1.771 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1594645370 KYJKPOGYNDMKPP-SFHVURJKSA-N 413.526 1.859 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1594733496 UKXVHSDZVYWJKW-JKSUJKDBSA-N 409.556 1.641 30 10 HDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O)C1CC1 1595038145 QMQUVXGXUMCHBJ-UHFFFAOYSA-N 400.508 1.911 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1595477728 YFOODBYAGYBMJX-NDXORKPFSA-N 419.526 1.311 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1595788632 FAFCVVUJLPMMCH-QGZVFWFLSA-N 420.539 1.167 30 10 HDEE C=CC[C@]1(C(=O)N(C)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 1596057508 CKIJPNFMJLWEGO-GOSISDBHSA-N 401.529 1.436 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC3(CCOCC3)Oc3ccccc32)C1=O 1596337629 VYZNIBYSSYYNKE-HNNXBMFYSA-N 413.430 1.152 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 1596932980 ANTYRYDHZUYNHV-CYBMUJFWSA-N 401.419 1.979 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1(C)C 1619533339 AWRWLLVGASHVSR-QGZVFWFLSA-N 412.494 1.678 30 10 HDEE COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1619614072 ZFJKKAQIMYOXRF-RHSMWYFYSA-N 405.430 1.676 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)c1 1624824286 UNNVGZZQZLUVCL-LJQANCHMSA-N 415.515 1.851 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc3ncc(CCO)cn3n2)cc1 1625681267 MCSLTUSGANHEQM-UHFFFAOYSA-N 406.446 1.726 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1626098748 RZYRRZAISZKBKH-MRXNPFEDSA-N 409.508 1.166 30 10 HDEE CC1=C(C)C(=O)N(CCC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 1626374471 OMBFPEVUMDUZBQ-UHFFFAOYSA-N 400.866 1.956 30 10 HDEE CC(C)C[C@@H]1CN(C)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626655944 NXGNUBCAGOSHPH-MOPGFXCFSA-N 411.506 1.952 30 10 HDEE CC(C)(CCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1626784012 FVSGXCKSXOTPSF-UHFFFAOYSA-N 424.523 1.646 30 10 HDEE COc1ccc(Br)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1627136442 HTMSAEYETSHXLX-BLLLJJGKSA-N 413.293 1.397 30 10 HDEE C#Cc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1628626791 RAVFHZRVABWQRD-UHFFFAOYSA-N 400.456 1.950 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1629542173 BYIYDJTXXZCYFK-XLAORIBOSA-N 419.522 1.341 30 10 HDEE N#C[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(Br)cc1 1629576222 USZHZNMISGIGAA-ZDUSSCGKSA-N 401.224 1.416 30 10 HDEE CCN(Cc1cc(Br)ccc1O)C(=O)Cn1cc(C#N)c(O)nc1=O 1629972183 OFKHDTGPNPCTGZ-UHFFFAOYSA-N 407.224 1.337 30 10 HDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C)CN1CCO 1630284654 SXFSRACGSMZSAO-CEPSZUJBSA-N 420.554 1.687 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1CCC[C@H](n2nncc2I)C1 1633072650 XTACOVLMUWJJBE-LBPRGKRZSA-N 422.230 1.935 30 10 HDEE C=C[C@](C)(O)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1633163479 XXPXCQZNACMDNC-INIZCTEOSA-N 420.325 1.768 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)Cc1cccc(OCC#N)c1 1636578624 DLOMTSTVWRLIFV-UHFFFAOYSA-N 416.503 1.374 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCCN(CCN2CCOCC2)C1 1636710743 SJAZLTHECYCMST-IBGZPJMESA-N 409.452 1.970 30 10 HDEE C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN(C2CC2)C1 1637865952 UQOCUHUFPDSMBO-BEFAXECRSA-N 409.490 1.706 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](C4OCCO4)C3)C2)C1 1638505538 BOYUVAWGIIPVSG-XAHBDIOTSA-N 405.495 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC2(CNC(=O)O2)C1 1639533273 YPOUWRKREGTXJU-INIZCTEOSA-N 412.446 1.713 30 10 HDEE N#CCCN(C(=O)CCC(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1)c1ccccc1 1640104354 BRDJRDDDQQOEQZ-MRXNPFEDSA-N 408.462 1.604 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)[C@@H](C)COC 1640378174 CXBIKWZICTVSQZ-LBPRGKRZSA-N 410.414 1.913 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NCC3(C#N)CCOCC3)=NO2)C1 1640487015 ISRVKBPLTUUILF-HXUWFJFHSA-N 406.483 1.969 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](O)C[C@]2(C)CO)n(-c2ccc(F)cc2)c1C 1643891683 DZOLBXYEQBQMPC-LAUBAEHRSA-N 400.454 1.861 30 10 HDEE N#Cc1ccccc1NC1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1644004408 QLKUEIDLRJISRH-UHFFFAOYSA-N 413.503 1.721 30 10 HDEE C[C@H]1CO[C@H](C)CN1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1645218779 CSSZFYIUCBMZDW-MXIOHGBHSA-N 420.554 1.999 30 10 HDEE COc1cccc(F)c1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1647991518 SADYGXYLAALZIO-UHFFFAOYSA-N 405.451 1.969 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1649063365 HUYZNPRMPTUYFN-HNNXBMFYSA-N 419.482 1.459 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1653069404 NBRKZFQBRIVYAW-HRAATJIYSA-N 409.467 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC(OC2CCN(CC(=O)N(CCC#N)CCC#N)CC2)C1 1654968768 SQTRDBBGIHEFMR-UHFFFAOYSA-N 419.526 1.743 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)c1ccc(Br)cc1 1662182662 ZEEUXEOHDNNGRZ-CQSZACIVSA-N 410.293 1.800 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)[C@H](C#N)C1 1671495146 LZIQGIPUPQEPSI-ZIAGYGMSSA-N 414.528 1.260 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(C#N)c(F)c1)CCS2(=O)=O 1673658266 KIVCQMUXWBRITQ-XAUUPUKJSA-N 423.466 1.396 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)nn1 1673802648 JBJAQYOBVZBNML-UHFFFAOYSA-N 414.901 1.793 30 10 HDEE C=CCn1cc(CNC(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1673805795 AFLOSPWTYAUDTB-UHFFFAOYSA-N 420.514 1.776 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1674887507 HGNDFMSIYCOVIN-ZDUSSCGKSA-N 413.462 1.413 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(Cl)s1 1679279658 UKGBWFJPWVXBME-GFCCVEGCSA-N 405.929 1.552 30 10 HDEE C=CCN(C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@H](C)COC 1679624768 BLZLABQDJXCLSE-HOJAQTOUSA-N 400.523 1.818 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1684024780 GTBUQTMCLZSSJV-LSDHHAIUSA-N 419.544 1.037 30 10 HDEE C[C@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)NCC#CCN(C)C)CC1 1685772091 CTDMROSQOYIASR-OAHLLOKOSA-N 402.524 1.751 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(F)cc3Br)C2)c(=O)nc1O 1686189592 VNAXOTVGPBQGNK-UHFFFAOYSA-N 422.214 1.489 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1689826776 UREZJYJPAGPVBG-GJZGRUSLSA-N 404.540 1.461 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)noc1C 1690008756 NOWFRBLCKZYELJ-UHFFFAOYSA-N 413.445 1.647 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1690015584 RJWHJEWABAGLDE-HOTGVXAUSA-N 414.510 1.557 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCN1CCC(O)CC1 1690050265 ZDPHEQJLZCBVAB-UHFFFAOYSA-N 406.534 1.574 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1690077000 GLDVDMPDLWZQRO-AWEZNQCLSA-N 417.482 1.116 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1690644730 IDELRLSHPZCEDY-UHFFFAOYSA-N 404.465 1.543 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cncn2)C1 1690688580 XTQHHROLPOGPGL-LPHOPBHVSA-N 403.487 1.003 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC[C@@H]1C 1690729003 CVQPKUDERNIJGU-CVEARBPZSA-N 409.556 1.626 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C3CC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1692851536 FNZUBDWZCKLWHW-GOSISDBHSA-N 419.511 1.393 30 10 HDEE Cc1cccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1693192993 ACWLNFSZPUXCHF-ZZEZOPTASA-N 423.477 1.402 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1=O 1696882557 OTUODLZRAXIYSI-UHFFFAOYSA-N 408.462 1.354 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1697926083 GTCVKYAMPGWNSO-NRFANRHFSA-N 409.494 1.937 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705560457 KUDRFKKYBBOIRF-CYBMUJFWSA-N 408.553 1.411 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1705570074 JZYIWONTAOBWBP-OAHLLOKOSA-N 401.492 1.616 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2c(C)noc2C)CC1 1705649039 IALASFBYAGTVCT-UHFFFAOYSA-N 419.489 1.959 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1705799336 SSLPTLWRXLFPFF-UHFFFAOYSA-N 417.558 1.129 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1705884872 ZMNARGKDVDVFFP-JKSUJKDBSA-N 414.597 1.962 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705904730 WRKHXGQEAZFXQN-MRXNPFEDSA-N 405.543 1.943 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1706076158 YMFLCUAHBAQJAE-JKSUJKDBSA-N 417.539 1.673 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(=O)N(C)C 1706405103 BQIINKDBDOPZTB-UHFFFAOYSA-N 411.510 1.880 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1710066030 ASFQJFKBXJGZPU-PXNSSMCTSA-N 408.522 1.972 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1710986113 WRDCWQBUFDYLBC-IKGGRYGDSA-N 407.478 1.061 30 10 HDEE CO[C@]1(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1711632739 IWCDUIUVNLZGSY-LSTHTHJFSA-N 407.515 1.863 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCSC1 1712458952 CVZWHAPNQXAUMT-IBGZPJMESA-N 419.555 1.374 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1722352853 ZTFSZRDTUWSFDM-UHFFFAOYSA-N 409.515 1.926 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722368695 UYWTXNCFQUYHJV-SJORKVTESA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1722379778 YCSREQDYPFGRMQ-UHFFFAOYSA-N 415.457 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nccs1 1722396544 JMQRFNSYVVJBFH-INIZCTEOSA-N 417.560 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1OC 1722423931 UVOWNPPGIANDJV-WOJBJXKFSA-N 409.490 1.954 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOC)CCC2)CC1 1722428986 FADPSKQFMBIEIC-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722458906 WVAYZLAWBQTJOQ-RDJZCZTQSA-N 413.551 1.398 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCSC2)C1 1722708720 CBHJUJRYUWEUJB-UZLBHIALSA-N 423.583 1.846 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1722718353 RLMAASTXAMJMEB-QGZVFWFLSA-N 416.507 1.147 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1724236594 WVHBDDBRPVMMCE-IBGZPJMESA-N 423.521 1.552 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1730723759 HUMQBUBVBFJRGE-NDEPHWFRSA-N 403.508 1.722 30 10 HDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C1 1730996020 UXOLRKAMPCPHGY-QGZVFWFLSA-N 415.519 1.745 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCCC1 1740599151 RGIWRVKGGDDZLP-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1740609069 HQFVFXKJKKPBTO-KRWDZBQOSA-N 424.530 1.698 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1740610491 CSINZDBIEJYXLO-IBWPDUFMSA-N 415.519 1.394 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)CC)CC1 1740707371 ZQEGRWBGNRNUDN-JOCHJYFZSA-N 410.522 1.391 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@H]1C 1740749675 BTBYWIRQDUUIGJ-NUJGCVRESA-N 416.526 1.162 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740758924 DCZNMXYTYJLHKZ-MDKPJZGXSA-N 410.522 1.912 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)CC1 1740818719 ROFASLOCDBDABQ-CYBMUJFWSA-N 408.528 1.952 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740867819 WZZMRAMMJZWPOD-NRFANRHFSA-N 402.543 1.781 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@](C)(C(N)=O)C1 1740954923 UAIQINHVUNQUCP-NRFANRHFSA-N 408.462 1.695 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1741073812 HBYBKQHLJVGBBC-WOJBJXKFSA-N 424.505 1.727 30 10 HDEE Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)n1 1742892706 IBYLTCBNPRFQCY-LJQANCHMSA-N 400.487 1.871 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1748726636 IXYABIMGCMARKB-UHFFFAOYSA-N 423.525 1.691 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(C)C 1748772448 OJMNMWPHTLKOAS-HNNXBMFYSA-N 405.524 1.793 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1748802375 OPDUVLWCTUQCDG-RYLXDESZSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748808691 GBCVEIGQPLFOHQ-GOSISDBHSA-N 415.519 1.098 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1748830279 SWLNUILSVOCWRJ-FCHUYYIVSA-N 411.506 1.014 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN1CCOC(C)(C)C1 1748962163 BFTSSRQLRHUCAD-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749434165 KCJVQYJGXRNVOQ-LJQANCHMSA-N 416.570 1.915 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1749518080 XJAZBRSYGNWBLY-DOTOQJQBSA-N 409.556 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CC1CC(F)(F)C1 1749734903 NHZADHBIJNPNHJ-CQSZACIVSA-N 404.483 1.864 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1750948258 GLMPAVWOTDCDDO-HXUWFJFHSA-N 419.505 1.649 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1Cc1cn(C2COC2)nn1 1751678588 ZMCGSFKQAGOWOL-OAHLLOKOSA-N 406.494 1.984 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1760109884 GZJYDLZHTRGJNM-CQSZACIVSA-N 417.539 1.222 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1760115113 ZBLAASOLJHOLFC-AWEZNQCLSA-N 408.462 1.593 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1760171444 KTANGARSQRWTJD-CQSZACIVSA-N 407.478 1.968 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCOC 1760214328 KABYFLWZNKWPMY-UHFFFAOYSA-N 410.474 1.842 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762637383 QUZXNXGZXRVEJR-HFJCDAHVSA-N 417.473 1.857 30 10 HDEE CN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1766963224 FEVKMCWRTBUKDV-ZDUSSCGKSA-N 400.464 1.420 30 10 HDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1768910876 CWYJIBAYRHWYIT-INIZCTEOSA-N 417.411 1.450 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 1769379977 JSTPNJXJMPUNHM-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)SC 1770215680 PBMMCUWOEXTVMJ-FZCLSBEQSA-N 420.583 1.930 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1770793465 ZXVDQKOOUXEGLD-WMZOPIPTSA-N 411.441 1.844 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788724 FMPKSMRTMBADGL-LLVKDONJSA-N 404.400 1.116 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1848954849 KLKJOAFMKFZEEZ-UHFFFAOYSA-N 421.494 1.600 30 10 HDEE C=CCN(C(=O)COc1nn(C)c2ccc(Br)cc12)[C@H]1CCN(C)C1=O 1850577289 WTLZBSFRFVIILB-HNNXBMFYSA-N 421.295 1.960 30 10 HDEE CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(F)cc(C#N)c(F)c1Br 1852609245 BWKCVDZUUMOJNJ-VIFPVBQESA-N 408.224 1.961 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)COCc2nc(-c3ccncc3)no2)CC1 1852888728 CFUJOGYFJURDCF-UHFFFAOYSA-N 404.430 1.869 30 10 HDEE N#Cc1cn(CCN2CCO[C@@H](c3ccc(Br)s3)C2)c(=O)nc1O 1853103291 LXSIDPIXPLSYAO-LLVKDONJSA-N 411.281 1.718 30 10 HDEE COc1ccc(OCC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)c(OC)n1 1853680711 MUWUAVBVJYSTNI-HNNXBMFYSA-N 402.451 1.231 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853941905 JTTCYDSLJNIPCA-UHFFFAOYSA-N 415.446 1.608 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2ncccn2)CCN1CCOc1ccc(C#N)cc1 1854450529 IETBDFPTDFTIPW-UHFFFAOYSA-N 409.446 1.255 30 10 HDEE Cn1nncc1C(=O)N1CCCC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1854855538 ZKYXVQUNQVDTLG-QGZVFWFLSA-N 407.478 1.483 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)C1 1854936096 XNQSCIZHSCQQAS-FUHWJXTLSA-N 413.526 1.129 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)Cc3cncnc3)C2=O)CC1 1855102498 DDPPUDWWDZPMIZ-IBGZPJMESA-N 404.474 1.683 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCN(Cc4cccnc4)CC3)C2=O)cc1 1855641664 SDFDSQHXAHHIPP-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CCN(CCC#N)C(C)(C)C3=O)CC2=O)cc1 1855870383 OJZUCBKIRZXKLQ-MRXNPFEDSA-N 412.490 1.801 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc3cc(F)ccc3c2)CCN1S(=O)(=O)CC#N 1856045790 IGTNSBUNUNVWBF-UHFFFAOYSA-N 403.435 1.895 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4cnoc4C)CC3)CC2=O)CC1=O 1856287335 YYPNYAUTFYZKIL-ZWKOTPCHSA-N 414.506 1.605 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C2(CCCC2)C1=O 1856331230 QABBUQBJTAIIMU-UHFFFAOYSA-N 403.460 1.207 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)C2=O)c1 1856463578 IUOCQBFTYGSWIR-WOJBJXKFSA-N 423.494 1.848 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856573785 WTHIBQUBORWICD-CZUORRHYSA-N 409.895 1.266 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC4(CC3)C(F)(F)C43CC3)C2=O)CC1=O 1856773601 VYBJAOSNFHJISB-GJZGRUSLSA-N 407.461 1.660 30 10 HDEE COc1ccccc1C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857066075 GAFFSXMYPPFHFO-SFHVURJKSA-N 405.458 1.525 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(CCC)on2)C1)[C@H]1CCN(C)C1=O 1857069372 XXBJAEDNEOLMDH-YJBOKZPZSA-N 402.495 1.725 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@H](CN4CCC5(CC4)C[C@@H]5C#N)CC3=O)cc2n1 1857213242 GVXOSGSSMQDPSW-DLBZAZTESA-N 406.490 1.961 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c(C(C)(C)C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857282286 VJLAGZQPDDGDTL-HZPDHXFCSA-N 416.522 1.988 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCC(=O)O)c(C(=O)OCC)c1C 1860760943 IQWUDPPKHNXBHT-UHFFFAOYSA-N 412.420 1.105 30 10 HDEE COc1cccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)no2)c1 1867147121 YNHNVDLBZGOOLK-GOSISDBHSA-N 406.398 1.951 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2cnc(C)cn2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004937 QEVLVAQERWWVOU-CQSZACIVSA-N 417.495 1.167 30 10 HDEE CCc1nc([C@@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)sc1C(=O)OC 1872795858 APDCNOHCROHRIP-ZDUSSCGKSA-N 414.491 1.281 30 10 HDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(NCCOCCO)ncnc21 1875230963 UQDWLVMOJCHWAZ-UHFFFAOYSA-N 416.526 1.204 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)CC1 1890119634 AQIWXRVGQPFDIM-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1891575913 GEPVNCNDQAHZNJ-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1957294900 XLXCXZWJRGIOIV-GFCCVEGCSA-N 420.532 1.483 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2174781400 FQHOQPQRCPSJFB-KBXCAEBGSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174783620 FAQMWGWVQGMURZ-PBHICJAKSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195308160 RTRVJYYTFATANK-CYBMUJFWSA-N 403.545 1.501 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)C[C@H]2CCCO2)s1 2237723617 BHCPXUQKZGJLIS-CYBMUJFWSA-N 401.359 1.954 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2248036854 AKUZQCJXIGADIC-IAGOWNOFSA-N 419.331 1.960 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ncccc1B1OC(C)(C)C(C)(C)O1 2249527972 OLFXEANXTNMLKR-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267374188 NXLBKWRIXMPQMS-WDEREUQCSA-N 405.372 1.456 30 10 HDEE CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337531 LPOCIMHHWIVEKV-NSHDSACASA-N 402.347 1.239 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2C[C@@H]([C@@H](F)CO)C2)OC1(C)C 2282338379 MYBCDTSDSFMSDG-LOWVWBTDSA-N 405.322 1.435 30 10 HDEE CCC[C@@]1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343956 SCBXPDXPJIJSDP-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282411143 SOUKCEWNFNUCSS-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CN([C@H]1CCC[C@H]1CN)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420836 FSCGBKDNKVIYPT-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC[C@@H](N)CN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282421228 LDBUQKJSZQJYEZ-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCONC3)c(Cl)c2)OC1(C)C 2282495474 MWYJJTBYZLDOLF-LBPRGKRZSA-N 402.709 1.211 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1C 2282505820 JPAGUJPOOFIFRD-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)[C@](C)(O)C3)c2Cl)OC1(C)C 2282663237 MPMCDXWKOUEVOA-PIGZYNQJSA-N 401.721 1.659 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828872 WKNBSWFYPILSGC-VWLOTQADSA-N 421.777 1.686 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834102 PEWUAIZRYQGLHY-NWDGAFQWSA-N 419.399 1.764 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H](CCO)C2CC2)OC1(C)C 2282836690 NSMVISGPVFQHJQ-LBPRGKRZSA-N 402.347 1.023 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](O)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282839245 AWRJVEDYVUEVPG-NWDGAFQWSA-N 401.359 1.793 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](CCO)C3)c2)OC1(C)C 2282851624 DYOCAXBDAKSGPN-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE C=C(CS(=O)(=O)N(CCC)[C@H]1CCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282876677 HHQKSBQXIWMAGB-AWEZNQCLSA-N 407.363 1.403 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)[C@H](O)CC3)sc2Cl)OC1(C)C 2284536043 DDKXTYZURIUPGU-VXGBXAGGSA-N 401.721 1.659 30 10 HDEE CCC1(CS(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2287054210 KUNFAJXHZNXKIL-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE COc1ccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)cc1 2296554288 HZJACASCSXONKA-FQEVSTJZSA-N 423.469 1.844 30 10 HDEE COc1cc(OC)c(OC)cc1C=NNS(=O)(=O)c1ccc2nc(O)oc2c1 2323437265 MQAKHUUZLPWINI-UHFFFAOYSA-N 407.404 1.872 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccncc1 2331273669 LZNIAERPZKQUDZ-UHFFFAOYSA-N 403.493 1.932 30 10 HDEE NCC#Cc1cc(F)c(F)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2351770786 HEUJDNNIQKFDOM-UHFFFAOYSA-N 419.409 1.313 30 10 HDEE C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2359283155 MVDQDAAHQBLOPT-IFUGULHKSA-N 401.721 1.687 30 10 HDEE N[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](O)c1ncc(Br)cc1Br 2367291206 PFWHLGMECQCBKB-BQSGVUBFSA-N 402.086 1.863 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367782985 CPDHJCQFCZLFHM-OWCLPIDISA-N 400.541 1.556 30 10 HDEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367794484 HWIVOGNHJUBGSS-RLFYNMQTSA-N 401.525 1.638 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CCNC(=O)OC(C)(C)C 2367808518 CZHCBMJURNVCDP-JKSUJKDBSA-N 402.557 1.601 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(C)o3)n2N)cc1 21321264 DRMSQHFWZGAZBP-UFFVCSGVSA-N 415.479 1.756 30 10 HDEE C=CCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3nncs3)n[nH]2)cn1 59832069 UVJYTFNPPGOOQY-GIDUJCDVSA-N 404.485 1.606 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccc2)n[nH]1 59887536 ZCKUFXUCHCVFTP-VXLYETTFSA-N 414.495 1.787 30 10 HDEE C[C@H](Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)C(=O)N(C)C 253577912 XQODVECSMNQEMM-CUXJQWCSSA-N 408.400 1.636 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccnc1)n2C[C@@H](O)c1ccccc1 254525181 ULWGMJCCHRQVAQ-OAHLLOKOSA-N 405.418 1.410 30 10 HDEE N#CCC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 431167455 DCGKNISJRWLNQW-UHFFFAOYSA-N 419.503 1.669 30 10 HDEE CC(C)COc1cncc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 444427021 YCUPOJDWALJPOH-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCCN(CC)C(=O)C1 460382533 ALRQDMLDFDSBNZ-UHFFFAOYSA-N 417.535 1.983 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 465266621 JTJNYJGZWVQROU-ZDUSSCGKSA-N 421.461 1.616 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CSCN1C(=O)C1CCCC1 465470971 IOOJQHNFMCTGMO-YOEHRIQHSA-N 414.535 1.477 30 10 HDEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@H](C#N)C1CC1 467516423 KIDABRPENMKCHT-GOSISDBHSA-N 401.492 1.488 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2C)CC1 474038188 RINYIXOGRMDWIQ-UHFFFAOYSA-N 405.442 1.622 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 483526261 CRWNCNSLKJVZRS-GUYCJALGSA-N 420.491 1.274 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)N2CCC(C)(C#N)CC2)CC1 503944268 GZDJLSJMXYQGBP-UHFFFAOYSA-N 419.551 1.458 30 10 HDEE Cn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCC(C)(C#N)CC1 507837644 OFNPLCJTAUOYSQ-UHFFFAOYSA-N 407.522 1.903 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 508827774 SGNWJNJNOGRIBM-IBGZPJMESA-N 404.559 1.547 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 509454152 NFIJITFWFNYZHR-OAHLLOKOSA-N 400.932 1.815 30 10 HDEE CS(=O)(=O)Nc1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544841092 IIHNQUAQFMXIBJ-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N 548924720 VINKMYXLWPGPQN-CQSZACIVSA-N 412.471 1.790 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 557276445 CZAXWHXYKKSKDK-WFASDCNBSA-N 415.475 1.502 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1 558295348 UZKJODRXQSRFCM-CYBMUJFWSA-N 415.537 1.580 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)NCCN3CCCCCC3)cc2C1=O 562184644 ZSWNZEGTWFDWKB-UHFFFAOYSA-N 412.490 1.191 30 10 HDEE C[C@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 570879681 XLCBVHVYKKBLJR-GOSISDBHSA-N 418.862 1.848 30 10 HDEE CCN1C(=O)[C@@H]2CN([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CCN2C1=O 610616030 CTBSDUXYQNQKRQ-MJGOQNOKSA-N 411.506 1.907 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(CC2CCC2)C1=O 730143435 BOBGHIMHKOGWKD-QAYQYMSWSA-N 417.579 1.792 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732650825 IEOWYEVZQMNSFY-LBPRGKRZSA-N 412.309 1.665 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 733200611 IBUOJUHNDXZWGY-AWEZNQCLSA-N 410.459 1.864 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CCC(=O)N2CCOc3ccccc32)c1 735812108 GBTJKOSHINFFFL-UHFFFAOYSA-N 405.454 1.953 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CN(C)C(=O)OC)cc2)CC1 735867901 MDHCVIHEARBJSX-UHFFFAOYSA-N 403.483 1.337 30 10 HDEE COC(=O)[C@@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1cccc(C#N)c1 751633226 SVUWUOPXPGUNRX-KRWDZBQOSA-N 413.430 1.912 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(C#N)cc1 754512756 BROCCYIBWZERBA-KKSFZXQISA-N 407.382 1.684 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)CCCCC1 760400692 NCTLYLHIMWNQNS-HNNXBMFYSA-N 413.565 1.998 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 762585903 VGCMJUHXDYSYTD-NERIXLHVSA-N 406.483 1.665 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)CC1 763139117 UJKDHBDNVZLVNY-UHFFFAOYSA-N 423.473 1.022 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1 766784293 KORWPNWOUZUKAD-INIZCTEOSA-N 401.444 1.031 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)OC)cc1 767176158 DKIPOLOTIAYEEQ-INIZCTEOSA-N 414.483 1.802 30 10 HDEE C#CCCN1CCN(C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767930411 FSUGPZLHAMZBHB-AYHJJNSGSA-N 403.523 1.616 30 10 HDEE N#CCOc1ccc(Cl)cc1CN1C(=O)C(=O)N(CCCN2CCOCC2)C1=O 776853136 UXQGJHAPHPCQTM-UHFFFAOYSA-N 420.853 1.255 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(NC(C)=O)cn2)cc1OC 782581439 KOOQYMMOPMOYKP-INIZCTEOSA-N 410.430 1.739 30 10 HDEE N#C[C@@H]1CN(C(=O)COc2cccc(I)c2)CCN1C1CC1 783437684 AHUSQSNQQLUWQF-CQSZACIVSA-N 411.243 1.869 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)O[C@H](C)C(=O)NC1(C#N)CCC1)CC2 786802105 WECSZKWDPLQDGZ-CQSZACIVSA-N 401.463 1.556 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3CCOCC3)nc2C)n1 788642933 YDQMQUHAZXCGCQ-UHFFFAOYSA-N 412.494 1.737 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2CCOCC2=O)c(C(=O)OCC)c1C 790723961 NJWLHLGOYKRECD-UHFFFAOYSA-N 410.448 1.373 30 10 HDEE COC[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 801671478 QDIFWISKTYJXLZ-MUNYZGMTSA-N 412.512 1.408 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cnc3n2CCC3)CCCN1C(=O)OC(C)(C)C 802208116 UMWDEMRYLGDVON-IBGZPJMESA-N 424.523 1.980 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 803608784 UBTQHWDBNRXEGB-UHFFFAOYSA-N 404.488 1.824 30 10 HDEE COC(=O)CCCONC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 808820272 XVXWPMRLTAFFHP-HKWRFOASSA-N 412.468 1.506 30 10 HDEE C[C@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 813636052 LSGRLDGZNWGDQY-SNPOWYQKSA-N 416.400 1.207 30 10 HDEE Cn1c(=O)c(C(=O)COC(=O)c2cscc2C#N)c(N)n(Cc2ccccc2)c1=O 814612928 VJFGFAGUJSWEDZ-UHFFFAOYSA-N 424.438 1.150 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccc3)c2=O)cc1 916193655 HESNTEUOXJVVHB-UHFFFAOYSA-N 419.506 1.935 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)NCCNc3ccc(C#N)cn3)cn2)C[C@@H](C)O1 916390730 WIVANUGGYPSZLE-IYBDPMFKSA-N 409.494 1.873 30 10 HDEE N#Cc1nc(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)ccc1Br 1130237376 MVXDLTXXCBHRJB-UHFFFAOYSA-N 406.240 1.909 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1133097816 QLUGEAIDGRYMHA-BZUAXINKSA-N 422.503 1.918 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1136575165 MTNBMTMVIYKIFZ-HOCLYGCPSA-N 410.565 1.280 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCOCC(N)=O 1137386869 QEYZBIRFFDRUJP-QGZVFWFLSA-N 402.451 1.011 30 10 HDEE C=CCn1c(SCC(=O)N[C@H]2CCN(O)C2=O)nnc1-c1ccc(Cl)cc1 1141380369 NMECKWSFNMIYNH-ZDUSSCGKSA-N 407.883 1.983 30 10 HDEE C[C@@](CO)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(O)cc1 1163460848 GCIAIZUZQICOPM-FQEVSTJZSA-N 417.487 1.235 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(CCO)(CCO)CC2)CC1 1175322757 FNABYNBOYYXAFA-SFHVURJKSA-N 420.579 1.304 30 10 HDEE C=C(CCN(C)C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175428205 QOBMOUYWOWIQJT-ZACQAIPSSA-N 422.526 1.535 30 10 HDEE C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176422631 NKHXWUUMJXADRZ-LXIYXOSZSA-N 413.902 1.696 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)C1(O)CCCCC1 1180463697 QEWAYBKEAAJFBF-UHFFFAOYSA-N 415.462 1.562 30 10 HDEE COc1cc(C)c([C@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1198336999 OUCJOBZOQLJTGU-AUSJPIAWSA-N 421.519 1.060 30 10 HDEE N#CC1(CS(=O)(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1211864909 BDICXBMJDHWIOE-UHFFFAOYSA-N 418.563 1.581 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1220787863 XDMFFDBRMSIPRT-HNNXBMFYSA-N 413.540 1.465 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1226109222 ADMISIDZCIPVQJ-HKUYNNGSSA-N 411.506 2.000 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 1233927761 JKPGBQUCEFBUNF-AWEZNQCLSA-N 402.455 1.249 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)CCC1 1248674932 BLJJVRTVNOUHDF-UHFFFAOYSA-N 413.540 1.674 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259113632 INQDNJVGXYGENP-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286350983 NKZJLSOUJOYVEE-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1286387041 NCDBTRWCIUKJKI-OAHLLOKOSA-N 403.508 1.205 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286505721 ADZSTVDBCYJADJ-HZPDHXFCSA-N 414.597 1.798 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286698549 AZAMTNOWSDPVSC-XOBRGWDASA-N 402.499 1.563 30 10 HDEE COC(=O)c1cccc2c1CCN2C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1289253849 VVCTVYADZJVERC-UHFFFAOYSA-N 413.455 1.868 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1nnn(C)n1 1293099767 BXVBZXAWEWRIOI-UHFFFAOYSA-N 412.889 1.264 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1297779078 WGHISCOZTSQYDT-CJNGLKHVSA-N 406.487 1.550 30 10 HDEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1297826391 DVJQSYGEMDVORB-LMGGTIKBSA-N 409.556 1.901 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1298173527 BHYYJFIPQLSDRH-VXPUYCOJSA-N 407.478 1.779 30 10 HDEE C#CCN(C)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1300474972 ADFHVDSGCBOHRL-IXDOHACOSA-N 419.526 1.908 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1300513642 YEDIAIYTNSFKOB-OAQYLSRUSA-N 411.510 1.153 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300532055 LOROJJKNCORIOX-QFIPXVFZSA-N 418.457 1.472 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCCN2CCC[C@H]2CO)CC1 1300682672 INFUZNQBEUQLCC-UXHICEINSA-N 402.587 1.784 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2([S@](C)=O)CCC2)CC1 1300727453 YBLMZCRKFAYNNZ-LJAQVGFWSA-N 419.595 1.744 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1301287798 YXNPUUKZKAPDRO-KRWDZBQOSA-N 420.477 1.741 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1301502701 OFVLZETVDUUPCB-ZDUSSCGKSA-N 418.448 1.116 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccn(CC)c2=O)C1 1301553015 CFYRYGHIMJBRFY-GOSISDBHSA-N 409.494 1.690 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)C1 1301554546 IDNPUGWUKLDYOQ-GJZGRUSLSA-N 400.483 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301579479 SJFVFEAZUGMWQK-SJLPKXTDSA-N 416.551 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C1CC1 1301589436 RWYVTMDGWYMKOR-KRWDZBQOSA-N 404.492 1.990 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1301622159 ABJBKYGKJROVQE-JYJNAYRXSA-N 409.556 1.636 30 10 HDEE COCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1302224106 ZDAFADQKYHYQRG-HNNXBMFYSA-N 421.885 1.999 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C[C@@H]1CCCO1 1303690046 KDPDEWVPRMMYJM-HOTGVXAUSA-N 423.535 1.332 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1307412237 KZOJRIQZNNXDCE-UHFFFAOYSA-N 412.515 1.466 30 10 HDEE COc1cccc([C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)OC)c1 1313062448 HWAJJNXAUOGOOD-DNVCBOLYSA-N 410.478 1.965 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1314920216 MOSMZXCAOIMWSI-QFIPXVFZSA-N 421.505 1.500 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)C[C@H]1O 1315109818 XSHNLNBYPMWNDV-CXAGYDPISA-N 410.434 1.157 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1316175547 CDJVDKPDUXGPRZ-CJNGLKHVSA-N 422.427 1.938 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCOCCCO)cc1 1316529571 GBCLASDPGHLBNU-IBGZPJMESA-N 424.505 1.417 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 1321631409 RBDMEQBDHDGMGL-CQSZACIVSA-N 401.916 1.995 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cncc(C)c3Cl)CC2)o1 1324798658 WBYGCCHAGHWKOQ-UHFFFAOYSA-N 403.826 1.717 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)CC=C 1358893504 VYMNGZCKSUIDJX-INIZCTEOSA-N 402.520 1.936 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1358919246 XKKJCGXCLMQNPR-UHFFFAOYSA-N 411.510 1.546 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OCC)c2ccccc2)CC1 1359028172 JMBJUBAVICSXLU-HXUWFJFHSA-N 424.549 1.949 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)[C@@H](C)CC)CC1 1359028589 XLQCNVRQGOCEGL-JTSKRJEESA-N 418.586 1.749 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359054649 CDXSYSSQODSWLV-MRXNPFEDSA-N 401.540 1.398 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359118339 COCKBXKNICHTJO-RDJZCZTQSA-N 415.519 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359297471 RIVFGJHTBXIUAF-INIZCTEOSA-N 421.505 1.983 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1359302462 IGBZJUBJZCODIH-JOCHJYFZSA-N 418.505 1.949 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CCOCC)[C@H](CC)C2)nnc1C(C)(C)C 1359305338 ANXPHTLAGNPMFK-QGZVFWFLSA-N 406.575 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC 1359330878 GBCVUUOZHUTCPE-UHFFFAOYSA-N 402.480 1.651 30 10 HDEE C#CC[C@@]1(C(=O)Nc2nc(O)c3cnn(C)c3n2)CCCN1C(=O)OC(C)(C)C 1438088128 KLFHQUPERDWOFD-IBGZPJMESA-N 400.439 1.800 30 10 HDEE C#CC[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)C(=O)OC 1451178371 JDAUKACGVOUTIX-ZDUSSCGKSA-N 407.348 1.854 30 10 HDEE N#Cc1ccccc1OCC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1463304901 BYGJOJFHRUUDNM-GDBMZVCRSA-N 402.394 1.905 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1463893980 CBLJCBFQTMCUER-ZDUSSCGKSA-N 422.320 1.809 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCC1 1464606665 BGWMYNDWLRCIAX-SFHVURJKSA-N 406.504 1.889 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1464973179 RYWZYMHPRXJJTN-INIZCTEOSA-N 421.519 1.983 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)Nc2cccc(C#N)n2)CC1 1466940854 DVWJHAUMDSJSKX-UHFFFAOYSA-N 405.402 1.773 30 10 HDEE C#CC1(O)CN(C(=O)N[C@@H](c2ccc(F)cc2)c2cccc(S(C)(=O)=O)c2)C1 1469080351 HBIUFCBBDRSSBM-SFHVURJKSA-N 402.447 1.708 30 10 HDEE C#CC1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1469364213 CJOXGICGGGALKS-GOSISDBHSA-N 405.520 1.088 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1C(=O)OC)C(=O)OCC 1475579612 QQQMGYYMEICCDE-CYBMUJFWSA-N 405.856 1.834 30 10 HDEE C#C[C@@H](NC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1478901671 UYUOQOGFRVKDGA-CZUORRHYSA-N 402.875 1.999 30 10 HDEE CO[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1503942733 UPHPDWVBOBAZEU-QGZVFWFLSA-N 418.505 1.892 30 10 HDEE COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1504610804 SXMFABABHMAGEO-PXAZEXFGSA-N 410.450 1.696 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(OC)cc1 1505000217 PSRRQKUFBWRFHU-VQIMIIECSA-N 415.494 1.982 30 10 HDEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1505050899 GHGRMPFXMKRPMU-UHFFFAOYSA-N 413.526 1.733 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(OC)C1CC1 1505082004 LKELTKHUJITFMD-FORWCCJISA-N 405.499 1.546 30 10 HDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1 1505146712 LXTUSEJRNPECBD-UHFFFAOYSA-N 404.496 1.268 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1CCCO 1507526239 LMEQRHFZQGUJEI-FUHWJXTLSA-N 411.506 1.979 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507632646 ORQVXBHXMKZNPN-MSOLQXFVSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1507656709 JFMREBAWOYAMLI-WZONZLPQSA-N 408.502 1.685 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCOC)C1 1507753341 FGJDFYISJDCOLA-JKSUJKDBSA-N 407.540 1.227 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC2CCOCC2)CC1 1507885206 UVPUKVALKDKFAC-QGZVFWFLSA-N 424.567 1.922 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)CC1 1507885365 YLEZKFGJCOOJAK-KRWDZBQOSA-N 423.583 1.183 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507897812 SQHZAFXKCQPQJG-HIFRSBDPSA-N 424.571 1.205 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C1CCC2(CC1)OCCO2 1508141019 RSMZWVAWEQTLSR-UHFFFAOYSA-N 410.540 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCOC1 1508142924 CNMRXJHQESHIHL-GOSISDBHSA-N 419.551 1.728 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1519329233 PGUWMVGJSKYJGK-FLTJSSMESA-N 419.526 1.936 30 10 HDEE N#CCOc1cccc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)c1 1521507871 LWUTYFCXFCFJCV-CQSZACIVSA-N 405.501 1.806 30 10 HDEE Cc1cc(C(F)F)n2ncc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c2n1 1523174329 FEMOLUFMTKJHSP-UHFFFAOYSA-N 414.420 1.851 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1527655862 IGZBZQDIEVRKBQ-IBGZPJMESA-N 403.439 1.900 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1539031768 PCLKZRUVXKHXLP-CABCVRRESA-N 406.483 1.889 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539218954 ANUKLUVAYPBRKS-HOTGVXAUSA-N 419.551 1.292 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@H]1C 1539239896 SQBJUHITKGBKOI-FGTMMUONSA-N 421.567 1.556 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCc1ccco1 1539273624 ZTCIXEQWRKLRJX-UHFFFAOYSA-N 405.462 1.122 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(N)=O)C1 1539615196 HBBGSYBHXOVDRI-OWSLCNJRSA-N 421.542 1.685 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539961344 VJXFULJSVHPRHK-UHFFFAOYSA-N 410.526 1.492 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@@H](C(N)=O)C1 1540867430 WDEBKTHTISXTGV-MRXNPFEDSA-N 419.489 1.497 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC2(CCC2)C1 1540874984 YBSVVMBMPBRCDS-UHFFFAOYSA-N 414.535 1.952 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)noc2C)nnc1[C@@]1(OCC)CCOC1 1540875776 XTYUFGWTDIMVDD-HXUWFJFHSA-N 418.498 1.474 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1540922352 LWADZNUFDRHDJD-JXFKEZNVSA-N 423.583 1.905 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)OCO2 1541657216 DFEREMCNOBFOLB-LJQANCHMSA-N 400.414 1.635 30 10 HDEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1542796484 JLTRGBGKBMTWKY-KRWDZBQOSA-N 405.462 1.961 30 10 HDEE Cc1nc(C)c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)s1 1542888070 GWJKOEXFTTXCIF-CQSZACIVSA-N 401.496 1.251 30 10 HDEE N#Cc1ccc(C2(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CCOCC2)cc1 1544235908 QFZOWLCEFJLGGJ-FQEVSTJZSA-N 417.469 1.800 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCOC[C@H]3c3ncon3)C2)C1 1545795542 JKGPJGMMIAXSDH-LTWWHTJUSA-N 417.466 1.756 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1546731636 DXSOKBLQYTWOEQ-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H](O)C1 1555753951 ZBQGMEMVOSSYQH-AVEIZBFRSA-N 405.499 1.282 30 10 HDEE C=CCC[C@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1556585634 APLFEHHIADXUKV-XMSQKQJNSA-N 421.497 1.943 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)C(=O)NCc2cccs2)cc1 1557191530 PTXNHRMYUAGBRQ-QGZVFWFLSA-N 419.528 1.484 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1560077156 BMYRLFHIWSPHNE-YLJYHZDGSA-N 418.563 1.494 30 10 HDEE O=C(Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1)c1cccc(C#CCO)c1 1568836291 CVACKNPOZBWQIV-IBGZPJMESA-N 414.483 1.428 30 10 HDEE COC(=O)[C@@H](CC1CC1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1570411733 IODWXAYXIYYMGN-MRXNPFEDSA-N 421.519 1.743 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1)C1CCN(C)CC1 1585115310 OBDQRVQKKOKRPS-UHFFFAOYSA-N 407.536 1.552 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1c(C)nc2nc(SC)nn2c1C 1585593123 AUPUUXGGAZEFOP-UHFFFAOYSA-N 403.508 1.809 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588025161 UIWYSCTVVKVQAF-MRXNPFEDSA-N 421.567 1.623 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588034494 HFAZMFOBCSRWOB-SJLPKXTDSA-N 407.584 1.724 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC1CC1 1588109468 DZZZZUXHHYRUHH-UHFFFAOYSA-N 417.922 1.891 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1588198065 DUWUKIXKWOUPNA-UHFFFAOYSA-N 416.485 1.562 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C)N2CCCCC2)CC1 1588806445 QTWDVFLBSHXWKT-RBUKOAKNSA-N 413.570 1.249 30 10 HDEE CC(C)(O)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1594545702 CCJFBFFTHGZHOZ-QGZVFWFLSA-N 405.520 1.578 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1)C1CC1 1595014159 TUEOMUBBSQDYAE-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1595239827 UKCGHQZEUXGLOR-UHFFFAOYSA-N 420.521 1.812 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1595303678 XYAWNUQITWBSAS-GOSISDBHSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1595538065 YCZFGOXSLQAFJF-OAHLLOKOSA-N 404.515 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1595760489 NTNGCAACEDQJAV-DOTOQJQBSA-N 422.555 1.704 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1610417775 XADFTJQIRZXSPS-SFTDATJTSA-N 419.526 1.864 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ncn(CC(=O)OC(C)(C)C)n3)cc2C1=O 1611185894 SJXLHQSVSLTUIL-UHFFFAOYSA-N 411.418 1.654 30 10 HDEE CC1=C(C)CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611835116 NPYCDIVDCKFHCT-CZIZESTLSA-N 420.477 1.808 30 10 HDEE CN(CCc1ccccc1)C[C@@H]1OC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@H]1O 1615259073 BKIQHWVOHFPJNM-QHAWAJNXSA-N 415.515 1.139 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)Cc2ccc(Br)cc2C#N)C1 1617954958 ZOXUQPWYKRZBDU-SWLSCSKDSA-N 423.263 1.816 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1619614250 GIPQRTLZNGTBRO-MSOLQXFVSA-N 416.457 1.143 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1619677626 LVFGTFSOZIKJIP-CYBMUJFWSA-N 409.450 1.700 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)OCC 1624252357 XVWWDVXPTDIWAR-OAHLLOKOSA-N 402.900 1.582 30 10 HDEE C=CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1626456805 XDVQJWYQBQAYOC-SNVBAGLBSA-N 418.269 1.755 30 10 HDEE C[C@@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1626688802 GGHYDJDMODFPHO-TZMCWYRMSA-N 405.455 1.115 30 10 HDEE C[C@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1629245819 QHKKQTVNNWLEQZ-BBRMVZONSA-N 414.466 1.941 30 10 HDEE C#CC[C@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)C(=O)OC 1629617679 WTTCMJYTIHLEBY-SFHVURJKSA-N 420.421 1.786 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1629695247 FAJOWDSMHNPJCP-LBPRGKRZSA-N 414.890 1.565 30 10 HDEE C[C@H](CC(=O)Nc1c[nH]nc1Br)/N=C1/NS(=O)(=O)c2ccccc21 1631181956 BCJSLDCCVUYWFF-MRVPVSSYSA-N 412.269 1.628 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCNS(C)(=O)=O 1633142482 ATFGKXFZOMUPBC-MRXNPFEDSA-N 422.507 1.058 30 10 HDEE COc1cc(C(N)=O)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1637886945 ZMLTVQSBEUHNRP-UHFFFAOYSA-N 416.459 1.252 30 10 HDEE CCN1CCC(N2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1639386195 FEESQYNMCGLTLP-FQEVSTJZSA-N 423.561 1.930 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1=O 1639594964 WVFIDLLFGIOAKB-ROUUACIJSA-N 417.531 1.846 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1641159056 GWUJVTAZMQNRIV-GOSISDBHSA-N 412.566 1.923 30 10 HDEE C#Cc1ccccc1CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1641936758 JJNQEKQPBGOJLV-UHFFFAOYSA-N 411.527 1.333 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1642510701 XLVYFVCKMQAEDW-JOCHJYFZSA-N 421.497 1.567 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C(=O)OCC 1642684143 WWBQXXXTTCAFNW-DOMZBBRYSA-N 418.899 1.150 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C#N)c(F)cc2C)cc1 1644078791 YQOZRCBGBOVHDH-UHFFFAOYSA-N 404.423 1.881 30 10 HDEE CC#CC[C@@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 1644466928 UTBQTAQOYKDAGB-HNNXBMFYSA-N 422.528 1.843 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1ncon1)C1CC1 1646080882 VPXJHHUIJJBGSN-QGZVFWFLSA-N 417.491 1.936 30 10 HDEE N#Cc1ccc([C@@H]2CN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CCO2)cc1 1648466664 MMMURZIBXHDNOZ-FQEVSTJZSA-N 408.458 1.112 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)NC3CCN(CC#N)CC3)cc21 1650788442 BMHKSRYEZDPCPA-OAHLLOKOSA-N 402.499 1.960 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2ccncc2C#N)CC1 1653690091 XFVAVPISCGTMFA-UHFFFAOYSA-N 418.475 1.456 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)cc1 1655161362 CKVMVJDBZODMIN-SFHVURJKSA-N 404.492 1.119 30 10 HDEE Cc1ccc2c(c1)NC(=O)N(CC#CCN1C(=O)c3ccccc3C1=O)S2(=O)=O 1656790512 SRACAMYSTFFSFH-UHFFFAOYSA-N 409.423 1.831 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 1661490519 UVLDVZSJBLIBJN-AWEZNQCLSA-N 422.404 1.224 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1 1665602381 AXARQXNPVYMDPD-UHFFFAOYSA-N 402.900 1.800 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cnn2cc(Br)cnc12 1665727922 MGXJSMWMGAKSCJ-UHFFFAOYSA-N 412.313 1.210 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 1671621143 VKYOFGSAGXYPIY-UHFFFAOYSA-N 412.533 1.322 30 10 HDEE C=C1CCC(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC1 1675872522 QOOWDWJAMBHSTK-UHFFFAOYSA-N 412.478 1.893 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC([C@@H](F)C(=O)OCC)C2)c(C#N)cn1CCOC 1676108666 GOVQJXUNWIXQLJ-CQSZACIVSA-N 424.429 1.548 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1689865155 OVDBHINUTQTTFE-CQSZACIVSA-N 409.487 1.393 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1689947687 KCEMCDRWNSUFAP-NRFANRHFSA-N 407.478 1.629 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1689993868 MUOCIPVDWAFSCY-LJQANCHMSA-N 414.531 1.398 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1690019598 MVBRFPYBEUWAHY-PGRDOPGGSA-N 405.458 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1690019834 SIXHQUGPEZFIMN-UHFFFAOYSA-N 413.547 1.830 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CC 1690031514 NGOMAOKRDZUDQF-SFHVURJKSA-N 405.506 1.873 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2CCN(CC)CC2)CC1 1690110381 JZMFMCYKAJBPNO-UHFFFAOYSA-N 415.586 1.294 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](C)O)cc2)CC1 1690131053 SPPSBTUWJPNQOA-SFHVURJKSA-N 422.533 1.257 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccoc2)CC1 1690150801 VTIFZFXEUOUHDL-UHFFFAOYSA-N 404.474 1.871 30 10 HDEE C=C1CCN(c2nnc(COc3ccccc3OCC)n2Cc2nnn(C)n2)CC1 1690384427 QSOJVTSGXXEOCP-UHFFFAOYSA-N 410.482 1.984 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1690555904 HFUOYUFPIDDXAC-SJLPKXTDSA-N 424.505 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1690719923 VSQVLBOSFREXAT-CQSZACIVSA-N 422.898 1.323 30 10 HDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693809071 AJJOIMULWIWDJS-DNTCVELPSA-N 423.477 1.015 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCO[C@H]1CCOC1 1696676163 IXVACJWRWVFITQ-RBUKOAKNSA-N 424.505 1.933 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC(O)CC2)CCO1 1698492272 ASUUQYHAQFZSEH-ZWKOTPCHSA-N 404.515 1.095 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1705559972 CNPARPYNRODLHT-SFHVURJKSA-N 401.492 1.220 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCOCC1 1705578039 CUSBJLGETQHTTC-IBGZPJMESA-N 402.502 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](C(CC)CC)N1CCOCC1 1705581107 WUVZHPANXOSXOL-OAQYLSRUSA-N 421.549 1.945 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1705764088 NKVLJMXAMHGFMU-RTWAWAEBSA-N 405.543 1.542 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705888293 PVOLKKFTBPYDPF-ZBFHGGJFSA-N 401.492 1.249 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)OC)C1 1705931905 FORKULGHMFKNGI-AWEZNQCLSA-N 407.496 1.263 30 10 HDEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1706487690 CNNCPABSMYDWFY-UHFFFAOYSA-N 406.512 1.370 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1711015024 MGVGTGYVBNLWJD-UHFFFAOYSA-N 423.565 1.927 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)F)CCN1C1CC1 1712884906 VQKGLKRCJDMCJT-KGLIPLIRSA-N 409.441 1.035 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1722297264 YSESEVYSOQFLEC-KGLIPLIRSA-N 421.548 1.130 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1722318047 LOUGTFCOHBCQEG-UHFFFAOYSA-N 413.526 1.198 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722318314 BZVHOCGDCXTQSB-KRWDZBQOSA-N 409.556 1.351 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722332230 GRMGJYLYYWHGNT-DLBZAZTESA-N 415.519 1.646 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2sc(C)nc2C)CC1 1722438392 QJQQGOITEWELII-UHFFFAOYSA-N 410.551 1.750 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)C1 1722480023 NSROMFYCFGZJST-LBPRGKRZSA-N 402.293 1.189 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722686442 YQPVKNOPVPTPJD-ROUUACIJSA-N 402.543 1.839 30 10 HDEE C=CCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691003 ODEXBFANPLKVHI-NRFANRHFSA-N 403.527 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722727952 QLKBIPARJNMEBE-HOTGVXAUSA-N 419.555 1.255 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C[C@H]1N1CCOCC1 1726670224 DEHZWCOAESVJTI-VQIMIIECSA-N 410.522 1.745 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1)OC 1730466034 JQGUVYVKTLBWPI-VLIAUNLRSA-N 416.482 1.797 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1730972911 BBJYZDDXABZVHG-GOSISDBHSA-N 410.478 1.291 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cn(C)nc1-c1ccccc1 1740629162 DCFODOZYXAXLFQ-UHFFFAOYSA-N 415.501 1.938 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1740642451 WSIBMTLBSPBHNP-QHCPKHFHSA-N 403.486 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1C 1740649614 YKAATNFZRVTKEI-QFIPXVFZSA-N 410.522 1.872 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740694415 IWKSBFKNYMXIBQ-ZWKOTPCHSA-N 421.567 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCCC2)CC1 1740706049 QRFSSURVCUAEQP-LJQANCHMSA-N 414.554 1.234 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)CC1 1740793845 MSXRANVXUGGLHU-UHFFFAOYSA-N 409.494 1.436 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1740932598 ROUFQLOJOMGXAU-QWXGXRTQSA-N 414.597 1.906 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1740995938 BQONWBQLKZFJFB-UHFFFAOYSA-N 422.536 1.079 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C[C@@H]1C 1746372779 DNHDWHGKXQLJHD-LSDHHAIUSA-N 406.498 1.307 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1746646296 FIJYMHBUOMYRPS-WBMJQRKESA-N 418.420 1.347 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748714594 JKHGOEWQTJNYNA-QGZVFWFLSA-N 423.583 1.836 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1748794533 AJXOUVTWPIGHJA-KRWDZBQOSA-N 405.462 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1748882792 GOFWSOQXOWSASC-ZZEZOPTASA-N 403.446 1.263 30 10 HDEE CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC[C@@H]1C 1749196721 XEPAAYJXRVSNRO-WOSRLPQWSA-N 422.511 1.262 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1750793422 RWXRPXYMAFRJFQ-SFHVURJKSA-N 418.542 1.797 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1760122850 SWGPVUNRTGHJDA-ZFWWWQNUSA-N 414.535 1.642 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760143589 LDFOMXJCWDOXKB-UWJYYQICSA-N 416.526 1.336 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760155255 UQQVCIZEQXAHPO-MRXNPFEDSA-N 421.567 1.288 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sccc1C 1760206311 WFRGRTFXKAHDJL-INIZCTEOSA-N 402.545 1.866 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1760224180 AUOOVXZIGAZWLA-UHFFFAOYSA-N 408.304 1.535 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1760266030 OMEIBNJHLFEOKV-CALCHBBNSA-N 416.570 1.440 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(C)on2)CC1 1760269964 QQFBDLLATOOZDZ-KRWDZBQOSA-N 412.494 1.483 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC(=O)NC 1760313009 HOTWTJSXKLDOSE-DOTOQJQBSA-N 404.515 1.068 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(CC(F)(F)F)CC1 1760527998 OXGDWGNHUGPLOO-UHFFFAOYSA-N 404.437 1.191 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccncc1Cl 1769836810 DVSCLXXGWUYKCD-UHFFFAOYSA-N 405.890 1.879 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1 1769844783 DJBIKRHYPHYIEA-LSDHHAIUSA-N 413.569 1.300 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1769914400 HMVWOXQEIVBAAW-CVEARBPZSA-N 400.483 1.452 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1771055867 DAIPADNHBUOOIR-OAQYLSRUSA-N 410.478 1.624 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccccc3N3C(=O)CCC3=O)CC2)CC1 1851302907 MZLKTKRNBKKDGL-UHFFFAOYSA-N 422.485 1.954 30 10 HDEE CC[C@H](C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1)N1C(=O)COc2ccccc21 1851383092 MFZLNIYSXFYNMQ-HZPDHXFCSA-N 408.414 1.821 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)CO2)nc1 1851793120 CYEOUYYNCMOAOR-MSOLQXFVSA-N 407.430 1.707 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C2CCN(c3ncccn3)CC2)CC1 1852089229 GOTRYBOOYRDYOU-UHFFFAOYSA-N 405.506 1.992 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852247608 XHKKREKYGQDFFN-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE N#CCc1ccc(C(=O)N2C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc32)nc1 1852313296 JEIOGMKQGVXLTG-QGZVFWFLSA-N 410.455 1.878 30 10 HDEE Cc1nn(CC(=O)N2CCN(CCC#N)CC2)c(=O)n1-c1ccc(C(C)(C)C)cc1 1852410016 AKBFVYGKHQVIQR-UHFFFAOYSA-N 410.522 1.698 30 10 HDEE N#CCc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)nc1 1852806223 QIUUDQFOCXIWKM-IBGZPJMESA-N 404.474 1.496 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)C[C@H]1CCOC1 1852928866 RMMOEZINDGKVDA-MRXNPFEDSA-N 417.473 1.912 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(c4cnco4)CC3)CCC2=O)CC1=O 1853783046 VCKPGZLNPZXEDZ-AEFFLSMTSA-N 414.506 1.654 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1853828853 PEVQWFMBSGPEOH-DLBZAZTESA-N 415.490 1.554 30 10 HDEE Cc1cc(CN2CC[C@@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)on1 1854233033 GWGQNVDMIBBCMI-LJQANCHMSA-N 407.474 1.343 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN([C@@H]3CCC(C)(C)C3=O)C3(CCCC3)C2=O)CC1=O 1854494404 QPSRKOAEXAKNBK-IAGOWNOFSA-N 415.534 1.762 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4nccnc4c3)C(=O)C2)C1 1855045032 BEGCYHSNFUHJCY-SJLPKXTDSA-N 406.490 1.681 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2nccc(N3CCOCC3)n2)C1 1855375365 MZTQAAHKJZOUBP-QZTJIDSGSA-N 413.522 1.733 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)CC1=O 1855546374 GRYBKDOAAPKJCK-GOEBONIOSA-N 417.893 1.617 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CC1=O 1855594195 SDQDLXYGGCOJJT-MRXNPFEDSA-N 407.467 1.656 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1C(=O)CCN(CCCC#N)c2ccccc21 1856036919 QFBNJTVOTZHTTK-QGZVFWFLSA-N 404.492 1.484 30 10 HDEE Cn1ncnc1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1856347308 HYKNCABNOZYVSD-UHFFFAOYSA-N 400.870 1.798 30 10 HDEE COc1ncccc1C(=O)N1CC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856459279 JNPSCZYQKCLEHX-SFHVURJKSA-N 405.458 1.978 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4ccc(F)cc4C3)CCC2=O)CC1=O 1857068052 LPZNSOYNLNJXSR-VQIMIIECSA-N 413.493 1.984 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@H]1CCN(C)C1=O 1857225315 BJPSHWOPEUTDMU-HOCLYGCPSA-N 415.519 1.032 30 10 HDEE Cn1nncc1C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CCC1=O 1857230480 JVFINRQGNBPSPA-HNNXBMFYSA-N 407.478 1.340 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(OC)cc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857236394 FRZXXXPRRKODLQ-BEFAXECRSA-N 415.490 1.411 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1857242344 DVKGHZVIPUISQE-GOSISDBHSA-N 411.568 1.321 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(C)c(C#N)c3)C(=O)O2)CC1 1857480655 JGSUAMGKCNSXFJ-KRWDZBQOSA-N 405.476 1.889 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(CC(F)(F)F)c3cccnc3)CC2=O)CC1=O 1857480665 JMYJOMANQXQZDU-CABCVRRESA-N 424.423 1.860 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc3c(s2)CCNC3)CCN1Cc1ccccc1 1914891659 KTNVGRIQNSCZOH-QGZVFWFLSA-N 402.545 1.792 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895197 IFKGGCGXBGBGBW-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccccc3Cl)s[nH]2)OC1(C)C 2110112044 UTUYVRQMTTUUMZ-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE C#CCN(C(=O)CN(CCSC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2123513739 GQGMTSFIOCKTOA-AWEZNQCLSA-N 404.554 1.235 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174780585 WJZYLNFVHAKTEW-GRDNDAEWSA-N 404.508 1.699 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174789468 QWKRQMFBGBHSDT-KFWWJZLASA-N 400.545 1.948 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)C[C@@H]1C(=O)O)C(F)(F)F 2180571466 CDLMQLSHYWGGBO-MLUIRONXSA-N 400.222 1.697 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2217468979 GUYHKEZADOODNT-AWEZNQCLSA-N 422.287 1.826 30 10 HDEE C#C[C@]1(C)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2221411229 CRWVAOSIXGYMKM-HXUWFJFHSA-N 404.488 1.507 30 10 HDEE CC(C)(C)OC(=O)NCCCN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 2234453200 OCHJKUUZZHCQQW-UHFFFAOYSA-N 400.545 1.542 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)C1 2243269569 BFSUFQWIXOVAJD-AFSSOGTRSA-N 417.428 1.963 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384482 QJKRBIACCKPYEA-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCOCc3ccccc3)c2)OC1(C)C 2243411711 YURNHFAXHBHVGC-UHFFFAOYSA-N 418.324 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](CO)C1 2247670990 MMHBHTGBKRFMMD-HNNXBMFYSA-N 419.331 1.799 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C[C@H](O)C1 2247679140 USWGSOCUOSVJEY-HNNXBMFYSA-N 419.331 1.799 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)CC(C)(C)O)n1 2247921010 HZJZGTFLGJCCKP-UHFFFAOYSA-N 414.315 1.528 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258189728 MIQGACWDHXUWED-KRWDZBQOSA-N 410.492 1.677 30 10 HDEE Cc1sc(C(=O)N[C@H](C)CCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281949419 JKFVKKVDXSURRT-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CCS(=O)(=O)N(C)CCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282066259 HKQRFLATWMCGLA-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CNCC34CC4)cc2Cl)OC1(C)C 2282304041 FEQPYLFTZJQODH-LLVKDONJSA-N 418.777 1.731 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)CN1C 2282329930 STAIMYFFLQLHJE-QWHCGFSZSA-N 400.375 1.760 30 10 HDEE CC(C)(C)[C@@H](CO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282343793 RNWNZPHVDAUKNX-GFCCVEGCSA-N 403.375 1.980 30 10 HDEE CC1(C)OC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)O1 2282353158 FMYLQBCECBSORN-NSHDSACASA-N 403.331 1.477 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494918 FDLFNPRUJUWCDH-VWLOTQADSA-N 421.777 1.638 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@H]2CCCS2)n1 2282496267 XZIVKEDTVKARHN-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE COC(=O)CCN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501739 BCJGATNXIAQGIW-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2282504854 VORIRFKLLBZJRI-KRWDZBQOSA-N 423.340 1.653 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2282560506 FNLHRFNZDYGDKN-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(O)CCNCC3)sc2Cl)OC1(C)C 2282619400 YOQVRWDUCSQBSC-UHFFFAOYSA-N 400.737 1.545 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1C1OCCO1 2282826935 VGKKNWXKOVOTSB-INIZCTEOSA-N 423.340 1.820 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCC2(N)CC2)c1B1OC(C)(C)C(C)(C)O1 2282842979 GGPBLSMPFMPIHH-UHFFFAOYSA-N 400.375 1.824 30 10 HDEE CO[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849635 FAYQTPLRNFNDOM-NWDGAFQWSA-N 403.331 1.130 30 10 HDEE C[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282852496 PZCLGUCAUYZFEB-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H]1[C@H](O)C[C@@H](C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866595 MDISXGKVKCGQHF-MBNYWOFBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@H](CC(=O)O)C2)OC1(C)C 2284394092 UQWKUOWIUDAURN-LLVKDONJSA-N 401.315 1.533 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCCN1 2286862989 SCULTKQMSQEFNZ-AAEUAGOBSA-N 400.375 1.775 30 10 HDEE COc1cc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 2296930517 MYOTUVTUPDOBMG-KRWDZBQOSA-N 403.387 1.424 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372003 MSQHPGDVMLJGKR-ZIAGYGMSSA-N 401.554 1.719 30 10 HDEE Cc1csc(C#C[C@H](O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2338397012 LFMXPJKFNDSOMV-KGLIPLIRSA-N 400.522 1.588 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363694481 OGHOJEJWZMTFQM-GJZGRUSLSA-N 413.565 1.815 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)COC1CN(C(=O)OC(C)(C)C)C1 2365207633 PUDAEZQBKSXOLS-HNNXBMFYSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365211030 KHBIKBMBRLVQBP-INIZCTEOSA-N 402.557 1.804 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365213536 VELJFBSTNBYUBO-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)c1cc(I)sn1 2366089792 MMUNHAGPJMZSNN-LLVKDONJSA-N 402.261 1.903 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCOCCN1C(=O)OC(C)(C)C 2367785212 DHTZQTZMOVSQCC-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793034 AQXXKFNDWBNSRS-ARFHVFGLSA-N 401.525 1.590 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367807409 SSYXISWCUUPGIX-ZRGWGRIASA-N 400.541 1.292 30 10 HDEE CCC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367831383 QMBRMOPXSPZINJ-KXBFYZLASA-N 402.557 1.601 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367832042 WRJSVANVYQOTRX-PMPSAXMXSA-N 402.557 1.457 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c1 6028630 PAYUWIAWANJCTN-UHFFFAOYSA-N 407.835 1.915 30 10 HDEE CCOc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)cc1 20292570 SMJIBYIDHPEMID-SRZZPIQSSA-N 412.479 1.962 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 27903123 KYWYCHPQRNYUCA-QGZVFWFLSA-N 413.522 1.060 30 10 HDEE C=CCn1c(=O)c(=O)n(CCC(=O)N2CCC(C(=O)OCC)CC2)c2ccccc21 33272427 BYAVOHGVLYWAKZ-UHFFFAOYSA-N 413.474 1.541 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSCc2ccc(OC)c([N+](=O)[O-])c2)CC1 105979427 VSHIBQSSLHHNDQ-UHFFFAOYSA-N 422.507 1.283 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2F)CC1 392350314 PIHUGWIAFVTCSN-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE CC(C)OC(=O)NS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 404925298 JPMSYRFVZGYNHR-UHFFFAOYSA-N 404.319 1.516 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ncn(CC(=O)N3CCCCCC3)n2)cc1C#N 427776142 HPMHYVQFNOBJDO-UHFFFAOYSA-N 403.468 1.057 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 432504697 WRJIFMGKLOJVIP-IBGZPJMESA-N 423.535 1.472 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CC(n2ccnn2)C1 441318094 MBXXCDNYFSVGRI-UHFFFAOYSA-N 403.402 1.668 30 10 HDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)C2CCS(=O)(=O)CC2)CC1 445720999 FJNRGGSXWZTBTF-UHFFFAOYSA-N 413.521 1.140 30 10 HDEE CCOC(=O)CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCC1 467197196 NRPIDCZRWLLTKM-QGZVFWFLSA-N 404.536 1.875 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468374953 ZAKAZDBBDGPLEO-QFIPXVFZSA-N 408.458 1.821 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3cccc(N4CCOCC4)n3)cc2)c1N 482232748 VFDBCXCGPWGODO-UHFFFAOYSA-N 403.446 1.488 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)N(C)Cc3ccccc3)CC2)cc1C#N 489109642 LAMWZDWJLLIEDK-UHFFFAOYSA-N 413.503 1.820 30 10 HDEE C[C@H](Cn1cncn1)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 502118673 GLDNBMUDPSIOGH-CYBMUJFWSA-N 411.445 1.377 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 505009186 PIASXMANRYYFHR-UHFFFAOYSA-N 411.506 1.475 30 10 HDEE CSC[C@@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 508051119 CYHCAOZXNJYRIJ-OAHLLOKOSA-N 403.551 1.395 30 10 HDEE CN(C[C@H]1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)C1)S(C)(=O)=O 509169461 QHHQOGLDJRLWOP-CQSZACIVSA-N 403.501 1.131 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546217068 DOBXVFPODKFISU-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE C[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CCS1(=O)=O 546618204 SMTUBSIAAHJCNE-ZDUSSCGKSA-N 417.447 1.631 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC2)CC1 550059917 YNJBYMXQGRKINK-IBGZPJMESA-N 416.570 1.472 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3occc3c2)c(=O)n1CC(N)=O 552010559 FJYNEQMVCAFAAV-UHFFFAOYSA-N 407.451 1.014 30 10 HDEE COC(=O)c1conc1C(C)(C)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 568909878 QKMLPLDFNPWRLU-UHFFFAOYSA-N 401.423 1.897 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3ccccc3c(=O)o2)CC1 574908903 WMTUGWMXRQBSJJ-UHFFFAOYSA-N 423.450 1.811 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c(C)c1 603798897 PIHPEDPPIVOOBI-SFHVURJKSA-N 423.538 1.487 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccc(F)cc1 603924524 PLFYHVAXGSSWRK-UHFFFAOYSA-N 415.396 1.565 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609451977 DCSAURRNJYHEOG-FQEVSTJZSA-N 420.517 1.921 30 10 HDEE CN(c1ccccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F)S(C)(=O)=O 610710429 XQQSRBNDASTRGN-UHFFFAOYSA-N 404.423 1.348 30 10 HDEE Cc1nn(-c2ccccc2)c(CN2CCN(CC(=O)N3CCOCC3)CC2)c1C#N 611567171 VFOKXCHWZUCMEE-UHFFFAOYSA-N 408.506 1.029 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 611600713 SJJZKVCBWXLRQS-UHFFFAOYSA-N 406.443 1.382 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@H]1CCCO1)CC2 619850958 WBOZGVYRZWUWOX-GOSISDBHSA-N 417.473 1.652 30 10 HDEE Cn1nc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 619852788 BDCSUJWWRFGAJV-SPLOXXLWSA-N 423.452 1.813 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C 732561506 OEZBOZPVWWAKMZ-UHFFFAOYSA-N 421.526 1.453 30 10 HDEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732647690 HXYSFPGFJBZCNG-MRXNPFEDSA-N 404.536 1.884 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1-c1ccccc1C 743725031 AOVDPRZRBVGIKG-UHFFFAOYSA-N 422.535 1.778 30 10 HDEE COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2=O)cc1C#N 746665528 QYCJBWYUTXERDL-FQEVSTJZSA-N 400.435 1.998 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)Cc2cccc(C#N)c2)C1=O 750434290 QVZHZFSSRFMXSE-JOCHJYFZSA-N 420.425 1.532 30 10 HDEE C#CCN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 751274338 UQKKBCZCUPKQJB-LLVKDONJSA-N 401.238 1.620 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@@H]32)ccc1F 755154543 AEUMSIAXKYLPSU-BHYGNILZSA-N 412.483 1.699 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccccc2OCC2CC2)c1=O 758051255 LCPKYFQWDZNUPA-UHFFFAOYSA-N 421.522 1.361 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 763241582 OVFMCCRBSCPVPZ-IBGZPJMESA-N 400.504 1.322 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2ccccc2Cl)CC1 766486711 GGMPZWKUINRAJJ-FMQUCBEESA-N 402.882 1.901 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774197628 ZRGASEVGUSHJFH-FQEVSTJZSA-N 403.548 1.731 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780938668 DFLRLMXMXDPQAA-HXUWFJFHSA-N 400.523 1.678 30 10 HDEE COc1cnccc1[C@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 783869817 KUODKWGUVSXMEH-OLZOCXBDSA-N 402.476 1.785 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H](O)Cc1cnn(C)c1 786859851 HTSSVWZIOIFWQM-YOEHRIQHSA-N 400.435 1.211 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CC(=O)NCC)CC2)CCCN1C(=O)OC(C)(C)C 790259075 DRPCYEGHDKWKKW-OAQYLSRUSA-N 408.543 1.613 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCc3n[nH]cc3C2)cc1Br 790834790 CYDOPEHYNWNKRP-VIFPVBQESA-N 409.265 1.654 30 10 HDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=Cc1nccnc1OC 792872666 POYWKTOAKPTMLJ-UHFFFAOYSA-N 408.440 1.870 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C(=O)OC)c2ccc(F)cc2)cc1 794689653 BOSQTWPBVXGPHV-FQEVSTJZSA-N 418.446 1.555 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@]4(C[C@H]5C[C@H]4[C@H]4CCC[C@H]45)C3=O)CC2)n1 799138445 BKNULKNFPZVLLC-HYUBVOGNSA-N 420.517 1.779 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 804455542 IJXKQMIKTIEBKY-YFVAEKQCSA-N 414.527 1.774 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 807591641 HKTINGHQUCTVGQ-ICSRJNTNSA-N 421.563 1.908 30 10 HDEE COc1ccc(C(C)=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc1 1084495565 UGIVDXOWCMQAGO-UHFFFAOYSA-N 403.512 1.516 30 10 HDEE C=C1C(=O)O[C@@H]2CC(C)=CCCC(COC(C)=O)=C[C@H](OC(=O)[C@](C)(O)CO)[C@@H]12 1084659776 SQQDHMIYFXZFNM-OEMYIYORSA-N 408.447 1.359 30 10 HDEE Cc1nc(=NC(=O)Cc2c(Br)cnn2C)n(-c2ccc(C#N)cc2)[nH]1 1126495804 BLJSIFRRXBHEFQ-UHFFFAOYSA-N 400.240 1.547 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1135665895 NWALRLJMUUAKNW-CQSZACIVSA-N 407.414 1.937 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(F)cc1 1140044233 XYQKVHVFYHLDMT-INIZCTEOSA-N 422.409 1.949 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3c4ccccc4C[C@H]3CO)C2=O)cc1 1146793887 KETAFEXKYVVJAG-ROUUACIJSA-N 404.426 1.713 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)C(=O)OCC 1151573758 KRXDUBWRLZIHGP-CYBMUJFWSA-N 409.801 1.678 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 1159299405 XSGCXIGUNIZUJK-PIKOESSRSA-N 423.517 1.952 30 10 HDEE COC(=O)C[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1160599140 FVSZFLJITPIXCV-AQZMIJIOSA-N 421.494 1.564 30 10 HDEE Cc1ccnc(-c2noc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)c1 1168042558 DLUUMJHRLQMFEC-UHFFFAOYSA-N 424.486 1.818 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@@H]1CCCOC1 1180060142 SZASFILLQQSZSH-CYBMUJFWSA-N 403.464 1.302 30 10 HDEE CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1190263917 CZNVMGSAHMANKM-UHFFFAOYSA-N 414.867 1.984 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1195463507 MDZTZHWKJOVWHD-KRWDZBQOSA-N 405.520 1.381 30 10 HDEE N#Cc1c(CCCNC(=O)NCC2CC3(C2)OCCO3)nn(-c2ccccc2)c1N 1248517070 JOVZDUWTKLVBAU-UHFFFAOYSA-N 410.478 1.711 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1268983518 WSVIQGBNUQXMBP-KRWDZBQOSA-N 414.506 1.880 30 10 HDEE C[C@H](CN1CCOCC1)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1271081703 GAXLXODDHGEVEY-GDBMZVCRSA-N 404.898 1.744 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)COCCO1 1286283284 QXGRRHGVOCESOI-QRWLVFNGSA-N 408.466 1.184 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1286298732 OFEXLBLRMSCUDU-CZUORRHYSA-N 416.507 1.040 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286394488 OQMALPNEZGDRPA-GOSISDBHSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCSC1 1286418605 DPGOOKORDRGJIG-FQEVSTJZSA-N 403.552 1.527 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1286433004 GPLQXLLBSFHMOA-UHFFFAOYSA-N 411.462 1.781 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1286713133 BMJAWKTZVDBWSM-CQSZACIVSA-N 405.524 1.632 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286818423 WRQYWIQBWINYMS-DLBZAZTESA-N 422.555 1.494 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286832067 HOKXVYHRYHPQMX-HNNXBMFYSA-N 419.530 1.957 30 10 HDEE CCCc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1289437954 VXLAHKBBMSKUDZ-LLGFUMIMSA-N 415.515 1.389 30 10 HDEE COCCN(CC(=O)N(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1292958719 NHWRZKBLSPWGNH-TZQQIIETSA-N 422.526 1.336 30 10 HDEE COc1ccc(OCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300323927 RRCXVLDWRZEZLQ-APWZRJJASA-N 413.478 1.988 30 10 HDEE C#CCCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1300375674 ACYFEOYNHVMICB-AVRDEDQJSA-N 415.538 1.935 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCCS(C)(=O)=O 1300399133 GEMMUYKUVMNFIX-UHFFFAOYSA-N 404.492 1.958 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1300421726 PMTUBWQNMWAQBV-UHFFFAOYSA-N 415.523 1.144 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1300446174 ICLZAZZULLOIRX-SFHVURJKSA-N 424.910 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccnc1N1CCOCC1 1300526502 IDADBLVOIXYVBE-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1300599912 BKCBVMYZPQFATB-UHFFFAOYSA-N 411.462 1.367 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2ccnn2)CC1 1300703913 WGDURLQZQMPLIR-UHFFFAOYSA-N 411.539 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(CC)CC)CC1 1300719580 HKAPUVLLDLNODA-UHFFFAOYSA-N 424.553 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300722542 KPUXBGDDLHWUFP-UHFFFAOYSA-N 419.551 1.089 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1300830277 UHFKVVVUMORWCN-OLZOCXBDSA-N 408.304 1.999 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1301273320 QLEURJBPWXQWAD-HNNXBMFYSA-N 419.555 1.554 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1301295878 BPEBAAKKBQVTSK-MRXNPFEDSA-N 409.512 1.491 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1301774977 KOLMNWBOXLATMM-NQIIRXRSSA-N 415.542 1.424 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NC(C)C 1302292700 BLDOHSBAGPCKOQ-RIFZZMRRSA-N 404.515 1.657 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 1304657720 ADXFXQQCNDJKLH-OALUTQOASA-N 405.520 1.435 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1309714583 ZVTZLBCIUZIHLK-UHFFFAOYSA-N 406.501 1.636 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 1309773900 MPYKUXZIVOTFBQ-UHFFFAOYSA-N 406.526 1.717 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315827964 ZVXFWTVDVVKQFU-QGZVFWFLSA-N 416.457 1.382 30 10 HDEE Cc1cc(C(=O)NC2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)no1 1320195803 ORNZDGFHWHYHJB-FQEVSTJZSA-N 404.467 1.966 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)c3cnc(C(F)(F)F)c(C#N)c3)c2)NC(=O)NC1=O 1324392654 PUYPCYTYPURORV-SFHVURJKSA-N 417.347 1.957 30 10 HDEE Cc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ncc1C#N 1350719321 AUQVKAQRXLXGBV-UHFFFAOYSA-N 404.423 1.674 30 10 HDEE CCn1ncnc1-c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1356276117 HHDKPHXECJDHDZ-HNNXBMFYSA-N 402.462 1.978 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358963474 IVPMRBSEJLTRLS-KRWDZBQOSA-N 404.540 1.194 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1358968313 GZPRJFZWBZAYQS-QGZVFWFLSA-N 419.551 1.237 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359134932 LVVVRKBHYADTTI-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359136445 JHRXKEBHLKZDPP-KRWDZBQOSA-N 424.505 1.988 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359145029 CISTURHDIFCTKG-KRWDZBQOSA-N 400.870 1.911 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1359181481 UGTIAHZMFSAUNR-ROUUACIJSA-N 403.527 1.854 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359220253 SOWAAWZHNSEDBI-SFHVURJKSA-N 410.478 1.646 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359287110 NFUCXBQXYAILDN-OAHLLOKOSA-N 412.494 1.900 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1359471963 CRRDUPRTDYXBDG-WBVHZDCISA-N 408.510 1.869 30 10 HDEE CSc1ccc(CNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1C#N 1439246814 NYCSZZJJPUZCMY-UHFFFAOYSA-N 409.471 1.464 30 10 HDEE N#Cc1ccc(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)nc1 1442265269 HYQLRABOOPAZTD-UHFFFAOYSA-N 413.503 1.856 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 1451217514 GFOAREQGUYFBBC-OAHLLOKOSA-N 400.451 1.521 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 1455173380 BGFCGJNYVJWNSL-IRXDYDNUSA-N 404.463 1.514 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1456736101 UCPSIDIXBQBBJJ-MPBGBICISA-N 418.519 1.970 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1459671551 OFLBYFYZCPOFDP-AWEZNQCLSA-N 402.900 1.773 30 10 HDEE COC(=O)c1cc(C2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)no1 1460676965 MWPDCKLOQLRLGR-UHFFFAOYSA-N 403.460 1.986 30 10 HDEE N#Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)[nH]c2ccccc12 1463706206 JKAGSEXDYISAFZ-UHFFFAOYSA-N 424.482 1.990 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCOC2=O)C1 1464792243 WMTCFZLCSMMWHG-UHFFFAOYSA-N 407.268 1.715 30 10 HDEE N#C[C@@]12CN(C(=O)NCC3(CCOCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1469877279 PNCQGUSYKFSWGQ-RXVVDRJESA-N 417.531 1.953 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)c1 1471111017 NCDDYXGBEZCABZ-RTBURBONSA-N 405.564 1.295 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccc2OC(F)F)CC1 1471451266 QNFHJMQMOXMSGZ-UHFFFAOYSA-N 407.826 1.167 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1475414675 XUOSGWNVLCXXPB-YOEHRIQHSA-N 402.538 1.587 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCn2ccc(C(F)(F)F)n2)C1 1478402544 BQOPGTVXFZPCEZ-NWDGAFQWSA-N 416.404 1.960 30 10 HDEE CC#CCCCC(=O)N1CCC(OC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1490472785 ZQMRXZXMYZUGIQ-JRHPMUGDSA-N 400.519 1.822 30 10 HDEE Cc1noc(CCCn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@H](C)C#N)n1 1493101157 BDPISDLYUZJPME-CYBMUJFWSA-N 409.454 1.846 30 10 HDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1494170471 LIISXOIIXSBYPH-UVTIVQHFSA-N 402.499 1.717 30 10 HDEE Cn1nnc(Cn2c(N3CCO[C@@H](c4cccc(C#N)c4)C3)nnc2C(C)(C)C)n1 1503688571 AOMUWGNMDRUIFL-MRXNPFEDSA-N 407.482 1.597 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(C)c(OC)c1 1507712701 MNWQAKWHHJEOAQ-SFHVURJKSA-N 411.506 1.875 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CCOCC)CC2)CC1 1507726098 DSWLRSCQWTUGAU-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC#C)CC1 1507747307 GOPYTJCZKDLBPP-UHFFFAOYSA-N 410.503 1.975 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1507751089 JSSNDOCDKJGPNV-HUUCEWRRSA-N 414.622 1.878 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C)C1 1507753329 LTFUCENIEODWPE-AWEZNQCLSA-N 405.549 1.861 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)N(C)C)C1 1508115623 CCDUKNZHCLOWGA-INIZCTEOSA-N 420.539 1.321 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCN(CC)CC2)C1 1508122091 HRMVDOLLJHRSRO-XUVXKRRUSA-N 418.586 1.589 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(O)c2)CCOC1 1509820972 YBICIZKUORXEBC-RXVVDRJESA-N 413.478 1.801 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C(N)=O)cc1 1513915995 FMNTVTCVIBYZMF-UHFFFAOYSA-N 416.489 1.581 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1516764776 GHWFTVSUVAHMLS-SFHVURJKSA-N 422.493 1.625 30 10 HDEE COc1cc(NC(C)=O)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1518970860 NIFDQDNJMSPSKI-UHFFFAOYSA-N 402.432 1.331 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)cc(OC)c1 1519161910 BNBNUAIITCMFIY-KRWDZBQOSA-N 416.457 1.792 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCC(=O)N1 1519165735 AWRNRSRPINJNAM-CQSZACIVSA-N 403.874 1.639 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCOC1 1519167383 BNPSUJQJDDAXAI-QGZVFWFLSA-N 409.494 1.920 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCO)CC2)nc1 1521102359 UMQJEKVNCXVORO-GOSISDBHSA-N 411.510 1.885 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 1521310159 QZIJEPVRXFSLIT-SZNDQCEHSA-N 418.494 1.429 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc(N(CC)C3CCCC3)n2)C1=O 1528516712 WIFIZLXIANNHRN-UHFFFAOYSA-N 400.439 1.161 30 10 HDEE Cc1ccc(C(=O)N(CC#N)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 1530336734 SKSCKBIYVCOHJF-UHFFFAOYSA-N 400.460 1.581 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3Cc4ccccc4OCC3=O)cc2C1=O 1534639904 BGWSZTPLPSYFDV-UHFFFAOYSA-N 419.437 1.620 30 10 HDEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)Cc1cc(C)no1 1538537931 JDNMMJIQRWWNFU-LJQANCHMSA-N 419.459 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539025689 LDZOWQGIWROEJD-HUUCEWRRSA-N 412.460 1.743 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539071597 CLUSVHQOQZNDEQ-GOSISDBHSA-N 414.554 1.376 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539085641 OBPYBTMDYGNGOM-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539224858 JDQHJKDHAYJOLR-IAGOWNOFSA-N 408.568 1.918 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539707571 DJIBBHJKOSPVSW-GOSISDBHSA-N 409.494 1.607 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1539733718 MLCAJVWMRVOKRU-RKVPGOIHSA-N 400.545 1.764 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539918332 LEPHMURRLMNBOQ-GJZGRUSLSA-N 424.571 1.350 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CCC)C2)C1 1540882260 FKDGFDHCFYOJIH-MSOLQXFVSA-N 404.559 1.930 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1544006398 QJEWFURVNXAMQH-UHFFFAOYSA-N 412.515 1.714 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1552870519 GZEXVERKOURRDW-JOCHJYFZSA-N 423.521 1.254 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCOCC1 1555557528 ZNXIGMZHBHPNDH-UHFFFAOYSA-N 420.901 1.901 30 10 HDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 1556750080 YNIZFLAVFDTPTI-GUYCJALGSA-N 415.471 1.546 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1557986703 NMOMRMYATMNQCK-KMFMINBZSA-N 405.520 1.683 30 10 HDEE C#C[C@@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)c1ccc(Cl)cc1F 1565003526 VVHXCBYJBIBBRZ-CQSZACIVSA-N 402.817 1.437 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2nccc2N)CC1 1565662220 YRFMUEVFXGKLOU-HNNXBMFYSA-N 403.284 1.637 30 10 HDEE C#CC[C@@]1(C(=O)NCCN2CCC(N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1566214117 UMLCRKCQAAJGLL-QFIPXVFZSA-N 406.571 1.922 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)C1 1567388500 YLNBMBWWXURNDT-BJJXKVORSA-N 402.426 1.812 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2NC(=O)CO3)ccc1F 1583194121 MIAQLHBAXDPKIY-UHFFFAOYSA-N 405.407 1.873 30 10 HDEE C=CCCO[C@H](C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182044 AXOSHRSGOPSRFW-CABCVRRESA-N 404.529 1.508 30 10 HDEE C=C[C@](C)(O)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1586226934 WFVRSYUFGLINPW-FQEVSTJZSA-N 401.467 1.845 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1587562517 QFZRJXSCBJDEFO-CABCVRRESA-N 415.523 1.351 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1587856881 TZNYDNSQNIUZJJ-OXJNMPFZSA-N 422.551 1.368 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCN1CCCO 1587932458 UTWBDVFLJMQAMV-GOSISDBHSA-N 413.522 1.879 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1589599810 MUSYFPVPJFNYDE-NRFANRHFSA-N 421.542 1.580 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595570185 ZQELUJDLGLNUQG-HSZRJFAPSA-N 424.549 1.718 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1596171935 HXHZXQVMWQOPHQ-UHFFFAOYSA-N 409.494 1.257 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2C=O)c1 1596612668 WWKJOLSIEDJITH-FQMKLWGBSA-N 406.508 1.839 30 10 HDEE C#Cc1cccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 1597403552 UMNVLOTWZCTQBR-UHFFFAOYSA-N 404.513 1.609 30 10 HDEE Cc1cnc(C2(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCOCC2)[nH]1 1597871779 NKZGMTRAXLUBMG-UHFFFAOYSA-N 417.491 1.346 30 10 HDEE CO[C@@]1(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCS(=O)(=O)C1 1598279768 KLMWWNMMBLYEGQ-LJQANCHMSA-N 409.483 1.234 30 10 HDEE Cc1nn(C)c(C)c1CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612458703 MKQKKUGIRQNNAD-ZZEZOPTASA-N 424.509 1.669 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1616176382 CMAKZMSIMOSCGX-LEWJYISDSA-N 418.542 1.127 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cc(F)c(C#N)c(F)c2)c1 1616740921 BHPXZWVWQMGSQV-UHFFFAOYSA-N 408.386 1.113 30 10 HDEE C#CCN(CC(=O)NCc1ccc(C(=O)N2CCCC2)cc1)CC(=O)OC(C)(C)C 1619904273 CKMYIMHIFLBIBE-UHFFFAOYSA-N 413.518 1.816 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CC2)c1 1620151154 SLOSUMSGECWSQA-QGZVFWFLSA-N 405.455 1.315 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)n(-c2ccccc2)c1C 1620526658 PPQMDVCKONXNFD-PZJWPPBQSA-N 421.501 1.884 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)cn1 1622335573 KZOGLMFBYNTMBQ-UHFFFAOYSA-N 407.395 1.288 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1626206212 ZETDAQCTRSIUBL-MSOLQXFVSA-N 416.474 1.874 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1627717155 KBSFMRWEAXTTRT-GOSISDBHSA-N 412.533 1.192 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 1628480854 GSTWVPMFTLLQKZ-NEPJUHHUSA-N 412.961 1.968 30 10 HDEE C#CCCN1CCC(NC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1628691027 OZVPAXQJKMVJNH-UHFFFAOYSA-N 402.499 1.287 30 10 HDEE CC[C@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629001582 GWFIOKUFRRFORH-XHDPSFHLSA-N 413.496 1.553 30 10 HDEE CN(C[C@H](O)CN1CCOCC1)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1629523433 XZCHLHRCKCPRKL-DLBZAZTESA-N 412.531 1.115 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@H]1C1CC1 1631637199 NJGZGENUTDGHLP-JKSUJKDBSA-N 405.476 1.068 30 10 HDEE C=CCN(C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H](C)COC 1632751689 FZSISWXEEDRJTR-MAUKXSAKSA-N 400.479 1.586 30 10 HDEE C=C[C@@](C)(O)CC(=O)NC[C@@H](O)COc1ccc(I)cc1 1635846613 HEBQLGVJCHKGTO-IUODEOHRSA-N 405.232 1.474 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCO[C@@H](c4cccnc4)C3)CC2)c1C#N 1636378517 MVQVSHCLBPWVBA-IEBWSBKVSA-N 409.494 1.747 30 10 HDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C(C)(C)C 1641835722 QPURFJBUVZDSRH-FPCVCCKLSA-N 412.552 1.821 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)C1 1643887921 GQDQRHVWUOSCHI-GOSISDBHSA-N 404.430 1.489 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1644083704 KMPMNNJHGDHNLI-MRXNPFEDSA-N 408.462 1.839 30 10 HDEE C#CCN(C(=O)CCCN1C(=O)CN(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454932 SCCRZQJFXYOZGU-UHFFFAOYSA-N 420.510 1.522 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)ccc1OC 1647932823 MUACCRSUMDVQAQ-UHFFFAOYSA-N 400.460 1.411 30 10 HDEE C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CO)c1 1648279172 AEBNYABHMUKLND-OAHLLOKOSA-N 424.906 1.804 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NC[C@@H]3CCCN(CC#N)C3)=NO2)C1 1650833637 BFRXGNYSKZPWQN-KKSFZXQISA-N 419.526 1.884 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C(=O)OCC)c2cccnc2)cc1 1651755305 HTHAYTZGPJPTQI-SFHVURJKSA-N 417.487 1.922 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCCN3Cc3cccc(F)c3)C[C@H]1CS(=O)(=O)C2 1652520723 DZQRMHZXJNNIJY-HQRMLTQVSA-N 405.495 1.577 30 10 HDEE C/C(=C\c1ccc(Br)o1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653760492 WXQSURDSGFUJKI-RUDMXATFSA-N 405.208 1.663 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc(C2CC2)n1 1654877789 WFMFFVCTTQMALP-UHFFFAOYSA-N 414.447 1.645 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 1662964960 LMLWWZSIWIZTJO-UHFFFAOYSA-N 423.459 1.649 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(OCCN3CCOCC3)c2)nn1 1676038565 MBSGCOSVRHPHNV-UHFFFAOYSA-N 400.483 1.175 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CC1 1677105810 RIILIRABJODXHD-YZGWKJHDSA-N 406.571 1.868 30 10 HDEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(-c2ccncc2)cc1 1678515612 GCEFOVYKRPSAGR-CQSZACIVSA-N 404.430 1.943 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682021247 CJRRCZKASPHHQI-KRWDZBQOSA-N 415.494 1.825 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC12CCN(C(=O)NCC(=O)NCC#N)CC2 1682186243 QYUHAPPCQPHGRN-HNNXBMFYSA-N 407.515 1.743 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1682280980 SAPBNWFCEGZHKT-UHFFFAOYSA-N 408.524 1.335 30 10 HDEE CN(C)CC#CCNC(=O)NCC(=O)Nc1ccc(I)cc1 1682489923 KCXOSZIASJJUHZ-UHFFFAOYSA-N 414.247 1.094 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CCCCC1 1684589377 JVZMFNDECRPKOU-LFDOHDQPSA-N 410.536 1.863 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC[C@H]3[C@@H](C#N)c3ccccc3)nnc2c1=O 1685240859 QLDKNJFKSVAJAR-IRXDYDNUSA-N 405.462 1.452 30 10 HDEE C=C(CC)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1686782139 IEZQLPOCEHIMBJ-UHFFFAOYSA-N 410.540 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1689863406 SXSIBZHOOHDJLV-QZTJIDSGSA-N 408.506 1.907 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1689892583 IORAZJVWWBKPEY-IXDOHACOSA-N 421.567 1.507 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1689913564 QLCFKRZTGDLQHY-GFCCVEGCSA-N 416.345 1.791 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1689929964 IEULVOZYBXHIMY-MBOZVWFJSA-N 422.551 1.368 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1689945418 DTRCDRCDCAARNL-GFCCVEGCSA-N 420.520 1.723 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689998706 UHGQCUJNPOUYLT-WOCWXWTJSA-N 422.551 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cnn2ccccc12 1690052813 QMJKGGXKEMIFQT-UHFFFAOYSA-N 401.474 1.559 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690157919 SFZBKXDHMQMGDH-ZNMIVQPWSA-N 410.496 1.483 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1690236782 RDESEBJHACKBDL-KSZLIROESA-N 404.559 1.928 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCSC2)C1 1690659475 UICGJZQZPUDTDW-HXUWFJFHSA-N 420.583 1.832 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](CC)C1 1690662182 TZFVMFBAQIPREY-CYBMUJFWSA-N 423.315 1.953 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(=O)OC)C1 1690674067 NUTAPALNVNNSJG-AWEZNQCLSA-N 418.523 1.325 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC)C1 1690688696 ZJKFZVKERQEJAL-OXJNMPFZSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)ccc2C)nnc1N1CCOCC1 1690729164 HWWSCWDWCHVEHO-UHFFFAOYSA-N 420.535 1.911 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690748645 BLEWVKHBMDOTIZ-INIZCTEOSA-N 402.524 1.134 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1692855064 UVYFEKFBNXJEDA-DYESRHJHSA-N 416.526 1.551 30 10 HDEE CCc1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694699408 KOWQFUAQTWQVEM-HTXNQAPBSA-N 409.450 1.030 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1695498205 AHXWGEOICSFRBC-KRWDZBQOSA-N 407.478 1.106 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CC2)CC1 1698489887 BUVIAERIPKPIOR-KRWDZBQOSA-N 407.540 1.737 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cn(C)nc1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705562102 XSHUPHPXHSABRN-LJQANCHMSA-N 424.530 1.662 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1705658204 IHGHHRNPPQQRET-UHFFFAOYSA-N 413.473 1.729 30 10 HDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705810308 ULXMLLNUYQZWHL-QGZVFWFLSA-N 418.542 1.659 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1706058460 BWHYTIBXWRVLSX-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722308105 GENISJFJTHZCKK-ZACQAIPSSA-N 410.588 1.611 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1722337085 UURPHHFLPCFOTA-AWEZNQCLSA-N 405.462 1.709 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722349766 ZWSXMVXRAPOKKY-FQEVSTJZSA-N 411.487 1.112 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722359188 IYHBQBVLOVGDQH-GOEBONIOSA-N 406.508 1.756 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCC2)CC1 1722441925 UVQHKGBZXZGRCW-UHFFFAOYSA-N 410.570 1.381 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)C)CC1 1722502977 BRUSBTBMBGDAKC-SCTDSRPQSA-N 402.543 1.741 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722526509 XMGBFKDZGTWCMH-YLJYHZDGSA-N 402.499 1.818 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)C1 1722712314 PPNMHOGGSGFTHP-ZWKOTPCHSA-N 400.527 1.786 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1726494192 AGYMTJODARBREF-CABCVRRESA-N 402.524 1.991 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740580206 ZVBSVLDIXINYHV-LJQANCHMSA-N 415.586 1.434 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740639668 WWJLXCJEVHJVFR-QZTJIDSGSA-N 409.465 1.338 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740722207 BJEZSCFVWPGKAD-KNBMTAEXSA-N 419.551 1.227 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccco2)C1 1740970098 DRWQHDKXRFZGAG-YWZLYKJASA-N 403.483 1.698 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746465555 YDVABROYRMTPGL-WIYYLYMNSA-N 419.549 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2C[C@H](F)C2)CC1 1749009022 FBQRVQOGMHTRSE-XIRDDKMYSA-N 416.501 1.333 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749019681 DFVFWELNGCBFMV-KRWDZBQOSA-N 413.551 1.057 30 10 HDEE C#CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749049293 HUNZMXXDPNJGIG-PMACEKPBSA-N 422.551 1.292 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(N)=O)CC1 1749133682 OYROMPGPFZKVST-ICSRJNTNSA-N 410.522 1.947 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)C2CC2)C1 1749688946 AHEMTBPRSHCGDO-WMZOPIPTSA-N 402.543 1.778 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749741199 SQNLVLDQINILJS-OXQOHEQNSA-N 421.567 1.818 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1750217656 CWXTXOBKUFMJLK-SONOPUAISA-N 418.567 1.945 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760129357 KKESFRDAJPSUBP-MRXNPFEDSA-N 413.482 1.587 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1760144427 OMJVBZCJHZZVAX-UHFFFAOYSA-N 412.542 1.670 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760191043 ZUHXIJMVNAJNRE-SFHVURJKSA-N 414.531 1.806 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1760227909 POBAFUYRCAQVCN-NRFANRHFSA-N 403.527 1.696 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1760228073 USTFUJOJMAQZAR-SIKLNZKXSA-N 419.570 1.747 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760310913 OMORQFWOKJPSNR-OKILXGFUSA-N 409.288 1.610 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)CC1 1760385112 MUABCTXDXQWNQW-UHFFFAOYSA-N 405.480 1.379 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1CC(=O)N1CCOCC1 1760480451 VMSWBXDQTCGRSH-UHFFFAOYSA-N 424.505 1.738 30 10 HDEE CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760823965 XKBNOCFKHYREBC-SFHVURJKSA-N 419.489 1.320 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)COCCO1 1762226393 PVEYEEGLYQIULA-HXUWFJFHSA-N 404.515 1.742 30 10 HDEE CC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1763362092 QFHWLAVPDKPBSJ-DCOQFNDQSA-N 415.498 1.322 30 10 HDEE CCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1765511301 TWVJAPRWCWNOJJ-BQASMSSTSA-N 415.542 1.632 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1766891982 DZBBNZUUIDPMML-FGTMMUONSA-N 409.494 1.261 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1766946004 FZPAPBOUJSBCDS-INIZCTEOSA-N 412.516 1.264 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789589 VLUUXUSCDAOCSO-FQEVSTJZSA-N 420.393 1.716 30 10 HDEE COCCOc1ccc(-n2nc(C)c(C(=O)ON3C(=O)c4ccccc4C3=O)n2)cc1 1772790536 DVYPPFYBIGSVPA-UHFFFAOYSA-N 422.397 1.969 30 10 HDEE CCCc1noc(-c2ccnc(-n3cnc(C(=O)N4CCN(CCC#N)CC4)c3)c2)n1 1848464349 RZGIAUCHPLUFMO-UHFFFAOYSA-N 420.477 1.941 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1848821319 VEWFUTMJIMXNBC-HNNXBMFYSA-N 422.526 1.719 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)COc3ccc(-n4cnnn4)cc3)CC2)cc1 1849476242 BETCBNVJXFGZAI-UHFFFAOYSA-N 404.430 1.983 30 10 HDEE C[C@@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)n1nnc2ccccc2c1=O 1849810618 LDNMHOGIIJQMSS-HNNXBMFYSA-N 418.457 1.937 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)N=c3ccc(C#N)c[nH]3)CC2=O)CC1 1851523009 PJANJVBZMRGDEH-OAHLLOKOSA-N 413.478 1.562 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(c4ncccn4)CC3)CCC2=O)c1 1853801332 TZYZPTHYJDHBSW-SFHVURJKSA-N 404.474 1.549 30 10 HDEE CN([C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1854011472 DVMRHUZHBJJCGZ-MSOLQXFVSA-N 403.504 1.127 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(N(C)C)nc2)C1=O 1854082466 QSGKSWPNOZYWSE-MSOLQXFVSA-N 413.522 1.388 30 10 HDEE Cc1ocnc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854197011 XTICYWSWPHMCMA-QGZVFWFLSA-N 411.437 1.553 30 10 HDEE Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)cc1 1854244969 CEUYCACDBMTVDP-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3ccncc3)C2=O)CC1 1854744637 WZVKYYSKQVJOAD-IBGZPJMESA-N 404.474 1.692 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1855587482 KSUWDKPYQNAIGI-HNNXBMFYSA-N 403.914 1.983 30 10 HDEE CCc1ocnc1C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855961297 JQYWDPLWSSWVFS-INIZCTEOSA-N 408.462 1.457 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3c(F)cccc3F)C2)C1 1856381240 NIGZMCRTHPOPRN-CYBMUJFWSA-N 412.396 1.983 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)nn2)cc1 1856522494 YGRCKMKWAZHEDM-LPHOPBHVSA-N 404.474 1.943 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1856544723 RQTSWJKHMOEQMM-IRXDYDNUSA-N 416.547 1.915 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1856835891 ATBCHAGZWUJVIJ-ROUUACIJSA-N 401.507 1.784 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(C)C)cc3)C2)CC1=O 1856905842 XYCVGUBONNAANO-IRXDYDNUSA-N 422.503 1.692 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)C1 1857171848 AJMXVURVDADKQY-GOSISDBHSA-N 412.490 1.986 30 10 HDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N(C)CCCC)ncnc21 1873594082 LAAHJJPUURLTDC-UHFFFAOYSA-N 400.527 1.916 30 10 HDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N(CCOC)CCOC)ncnc21 1873595242 VDXUOQVKQGETLN-UHFFFAOYSA-N 419.526 1.609 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](Oc3nccnc3OC)C2)cs1 1889577529 ABNYFLHNFOACAF-GFCCVEGCSA-N 403.464 1.541 30 10 HDEE CN(C(=O)COc1ccccc1Br)C1CN(c2nccnc2C#N)C1 1890345792 QUZPDAZSIXOPCD-UHFFFAOYSA-N 402.252 1.837 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C1 1891470578 NUBQAPWTJDYWOH-CQSZACIVSA-N 412.475 1.766 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C 1900028158 KZUGXSOZDOKVMU-KBPBESRZSA-N 401.504 1.848 30 10 HDEE Cc1csc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C#CCN 2039322452 VYYHAUDHBRXNKU-UHFFFAOYSA-N 417.512 1.082 30 10 HDEE Cn1ncc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2074367146 JNXCHVUSHPDBDB-YPMHNXCESA-N 413.320 1.627 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCCO)cn1 2102376369 GQOPCBWIIDCNDU-UHFFFAOYSA-N 413.455 1.244 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2195306995 LWEXJHNPDPWFFH-PZROIBLQSA-N 402.513 1.538 30 10 HDEE C#CC[C@H](CN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CC1 2196767130 UWAMPMGCUOIMCQ-CVEARBPZSA-N 400.541 1.822 30 10 HDEE C[C@@H](NC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2203126371 OGHRPHQWUZLORG-NSHDSACASA-N 402.347 1.579 30 10 HDEE CCS(=O)(=O)CNC(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2233878937 KPNAIFCPERSECM-UHFFFAOYSA-N 402.347 1.547 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243381929 NZAQWSYCITXFOO-TUVASFSCSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCCC#CBr 2244547640 CXAOJVVFJRTVES-LLVKDONJSA-N 411.318 1.177 30 10 HDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828290 NCEIZIUVDKYXQM-CQSZACIVSA-N 422.335 1.988 30 10 HDEE CCn1cc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247910302 KOTCGWFYEUNUQW-OLZOCXBDSA-N 420.319 1.598 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248060405 FKUVBQRJIGHRFY-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)c3nccnc3Br)nc2)OC1(C)C 2267846587 HMRZNCJKBNJPJB-UHFFFAOYSA-N 406.049 1.581 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269026617 OCGFGHWJRJXZFM-SECBINFHSA-N 409.722 1.842 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccccc1C#N)NC(=O)OCc1ccccc1 2270525848 DPEAIHLMTDRXEF-KRWDZBQOSA-N 417.443 1.768 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CS(C)(=O)=O)s1 2281937489 AJSQTJMAQULYMI-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCCO[C@H](CN)C3)c2Cl)OC1(C)C 2281939101 BZDCGDAHLZRZBM-LLVKDONJSA-N 400.737 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(C)CCC[C@H]1O 2282306320 LPAQBWMZDCFNOX-DYVFJYSZSA-N 401.359 1.938 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282490937 JKLDQWQGAMFZFI-GFCCVEGCSA-N 401.721 1.855 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2[C@H]3CC[C@H]2COC3)OC1(C)C 2282494630 AHIPGXTZIFBEJM-RYUDHWBXSA-N 400.331 1.135 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(C)CCCN2)OC1(C)C 2282496257 XWLSTEINQAUYFZ-QGZVFWFLSA-N 400.375 1.609 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3C[C@H](CO)CO3)sc2Cl)OC1(C)C 2282611259 IVHARVIQHBHXBM-GHMZBOCLSA-N 401.721 1.828 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282831253 HEYFXAUPULPFHI-RUZDIDTESA-N 421.777 1.686 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](C)CN1 2282853666 HBLWBADFKYNRMC-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC(C)[C@@H](C)[C@H](N)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855680 IEXOGBDUZNUNOT-CHWSQXEVSA-N 402.391 1.945 30 10 HDEE CC1(C(=O)O)CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284403041 MWOQPWMNDZNMFT-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CS[C@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405919 RGMSQBOIZLRFAY-KOLCDFICSA-N 421.371 1.530 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3COC[C@H]3C(=O)O)c2Cl)OC1(C)C 2284455344 JKAQFZMJVICTOX-PSASIEDQSA-N 401.677 1.530 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2365205923 DMOPVMXZTUTNFD-KUHUBIRLSA-N 402.557 1.552 30 10 HDEE CCC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)NCC 2365208803 TXTWUPODWGWYID-HNAYVOBHSA-N 404.573 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2)C1 2365408067 MKLADIAPSFWTLJ-LIRRHRJNSA-N 400.541 1.292 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCC[C@H]1CNC(=O)OC(C)(C)C 2367815470 LUDFXLGQAWAQPQ-KHYOSLBOSA-N 400.541 1.211 30 10 HDEE Cc1scc(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369536968 WOEHKGAGZKRJEQ-CMPLNLGQSA-N 401.359 1.907 30 10 HDEE N/C(CC(=O)NC1CCCCC1)=N\OCC(=O)N1CCN(c2ccccc2)CC1 6346335 JMGBYLIJTIRREX-UHFFFAOYSA-N 401.511 1.463 30 10 HDEE COc1cc([C@H]2C(C(C)=O)=C(C)Nc3nc(SC)nn32)ccc1OCC(N)=O 20413358 RREDCXJCPQAFEE-INIZCTEOSA-N 403.464 1.751 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)C1CCN(C(=O)c2cccs2)CC1 96969000 CISHJGCYANAVEF-UHFFFAOYSA-N 404.536 1.675 30 10 HDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1 102730837 WQCURNUVUUFQQP-HQMFNGAOSA-N 409.442 1.836 30 10 HDEE COc1ccc(CN2C(=NC(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254592892 KSSVIMBTFJSSEH-WFASDCNBSA-N 409.489 1.214 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 409586770 SENHKMRYEOFLPW-CQSZACIVSA-N 414.915 1.199 30 10 HDEE C[C@@H](C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)n1cnc(C#N)n1 410016835 WALZTMCZCPKQKR-NSHDSACASA-N 415.255 1.713 30 10 HDEE C=CCOC[C@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)OC 435945697 VZDGQVKPJMGQCM-AWEZNQCLSA-N 404.444 1.209 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436908728 JKDHYUNPDULIBS-NRFANRHFSA-N 401.463 1.938 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C(=O)OC)C[C@@H](OCC)C3(C)C)cc2C1=O 444559580 AYPJYVVXMIZUSN-OPAMFIHVSA-N 414.458 1.945 30 10 HDEE Cn1nc2c(c1CNC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCCC2 463387246 ABFWFXGJHAQCEJ-LJQANCHMSA-N 406.490 1.771 30 10 HDEE COc1cccc2c1nc(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)n2C 474794143 CJFXLBXKRHKJMI-LBPRGKRZSA-N 413.459 1.759 30 10 HDEE COC(=O)COc1ccc(CN2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] 475091996 KZCBRENBJPROAR-UHFFFAOYSA-N 411.418 1.735 30 10 HDEE CS[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1N1CCCC1 484611461 BIRZGKQRXIJMPD-ZWKOTPCHSA-N 418.567 1.015 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 489811894 LIXBBUYQQAVXJJ-MJGOQNOKSA-N 420.535 1.635 30 10 HDEE CNC(=O)CNC(=O)c1cccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 501733806 KQMSEYLKZXKOKL-HXUWFJFHSA-N 402.451 1.363 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 507532294 NHFDIZKAMQDKHX-SFHVURJKSA-N 407.492 1.674 30 10 HDEE CCN(C(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 509065598 FOEQWJKWCSGZCK-AEFFLSMTSA-N 419.547 1.826 30 10 HDEE CCN(C(=O)[C@@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 509065603 FOEQWJKWCSGZCK-SJLPKXTDSA-N 419.547 1.826 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 515663103 CSIFVMAISPKKAG-UHFFFAOYSA-N 402.435 1.145 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnccc3N3CCN(C)CC3)cc2C1=O 517651906 PSGAEOCGEPQORB-UHFFFAOYSA-N 405.458 1.868 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@H](CNS(N)(=O)=O)C3)cc2)nc1 523529188 HCEKWXPKGSXSKQ-OAHLLOKOSA-N 415.475 1.391 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)o3)c2=O)cn1 523860148 WNGSWUDWASTZIM-UHFFFAOYSA-N 408.483 1.889 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 525470746 ZUOAHGNGPPSEGA-AWEZNQCLSA-N 417.491 1.029 30 10 HDEE CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@H]1c1ccc(Cl)c(F)c1 533637017 IEONMRWILQJSOE-NVXWUHKLSA-N 408.842 1.996 30 10 HDEE C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546917970 BUQDNONRESLYAM-WMZOPIPTSA-N 407.474 1.420 30 10 HDEE CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1cc(Br)cc(C#N)c1 551226216 IVXLYMUTFDWPQO-OCCSQVGLSA-N 405.314 1.757 30 10 HDEE O=C1NCCN(CC#CCN2CCNC(=O)[C@@H]2c2cccs2)[C@H]1c1cccs1 551393905 UGDBKQRRTXARIP-ROUUACIJSA-N 414.556 1.459 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 555255725 MHHMWNNKNCMXMW-UHFFFAOYSA-N 411.466 2.171 30 10 HDEE CC(C)C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NCCN(C)C 570115231 OAJZEKXSMZTDNU-HKUYNNGSSA-N 417.529 1.732 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 584141795 PPTKYDAHMKRAMU-GDBMZVCRSA-N 407.496 1.732 30 10 HDEE N#Cc1cc(S(=O)(=O)NC2CCN(c3ccc(C(=O)O)cn3)CC2)ccc1F 585819645 HEQBBZMROJJFSV-UHFFFAOYSA-N 404.423 1.738 30 10 HDEE CCOc1cccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 610814535 OIVINVOCAPKFTP-AWEZNQCLSA-N 402.476 1.378 30 10 HDEE N#Cc1ccc(CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)cc1F 616199377 GKIBDJIBRFXNHX-LJQANCHMSA-N 417.393 1.961 30 10 HDEE CN[C@H](C#N)[C@H](C)n1cnc(I)c1I 699335026 OCJKJQJEZLHDMR-NTSWFWBYSA-N 416.004 1.765 30 10 HDEE C#CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 729331006 LWEUDLVTRKJFTH-LJQANCHMSA-N 411.479 1.945 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1C1CC1 732649436 VMOMDJVWGLLQSM-SJLPKXTDSA-N 402.520 1.286 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCN3CCCCC3)cc2)CCN1C1CC1 732709016 YDHCZFZDZPCUFU-OAQYLSRUSA-N 409.534 1.852 30 10 HDEE C#CCN(C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 742051799 DMPOVZSGMYZBKA-HOTGVXAUSA-N 414.524 1.051 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)cc1C#N 747495470 OBABMMSFPGWZSZ-UHFFFAOYSA-N 401.444 1.366 30 10 HDEE COCCn1cc(S(=O)(=O)Oc2c(Br)cc(C#N)cc2OC)cn1 747887253 XIUYIHCQMVNFHJ-UHFFFAOYSA-N 416.253 1.940 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 751734865 YKXWOMCYUVNMOI-UHFFFAOYSA-N 419.459 1.153 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 759351374 NZCDKLJFSZMDJK-UXHICEINSA-N 419.547 1.109 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCCn2ccc3cc(Cl)ccc32)CC1 760493633 DDNXWEAQKRMZGJ-UHFFFAOYSA-N 400.910 1.969 30 10 HDEE CC(=NNc1ccc(S(C)(=O)=O)cc1)c1c(C)nn(CCS(C)(=O)=O)c1C 763166263 NKJVEWWXZMOBBS-UHFFFAOYSA-N 412.537 1.784 30 10 HDEE CCNC(=O)C1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 764064552 PBILIDBVMDGWIT-LTGZKZEYSA-N 407.496 1.099 30 10 HDEE COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 771148892 CXWZRJOPEFQCTN-QFIPXVFZSA-N 404.426 1.577 30 10 HDEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C)c2=O)c1 772275378 KSDLCWSYVPFVIW-UHFFFAOYSA-N 420.332 1.545 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 777015165 RCKNFLVBVZSVIS-UHFFFAOYSA-N 417.462 1.848 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)c1 779855353 AQQHJMUTEVVXCW-HSZRJFAPSA-N 421.453 1.808 30 10 HDEE Cc1cc(C)cc(-n2ncc(C=c3sc(=C(C#N)C#N)n(CC(C)C)c3=O)n2)c1 781134661 QGBGPPYEKTWYTK-UHFFFAOYSA-N 404.499 1.790 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CCN1C1CC1 782467122 PPIXFZRFROHJKF-SFHVURJKSA-N 411.487 1.695 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CCCCC1 784546805 MYGPVDOXZPHRHE-IRXDYDNUSA-N 423.535 1.348 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@](F)(C#N)C1 787376667 OFWFBPIASQWSCU-CRAIPNDOSA-N 411.455 1.180 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ncccc2S(=O)(=O)N2CCCCC2)n1 788559394 SKLCMTMSEWOPQN-UHFFFAOYSA-N 417.535 1.739 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 788810178 DXWYIGJIUABOMX-QGZVFWFLSA-N 406.483 1.127 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc([C@@H]2CCCO2)[nH]n1 792683685 WFSMXZLRDKUIBW-AWEZNQCLSA-N 403.464 1.719 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cscc2Br)c(=O)n1C[C@@H]1CCCO1 795186752 BQQAPWCWIHDQIP-LBPRGKRZSA-N 422.329 1.939 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1cc(C#N)ccc1Cl)c(=O)n2C 803835148 FJRUMPYYAFTZQW-UHFFFAOYSA-N 401.810 1.206 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 809357721 GARSGUCFCACZFN-FQEVSTJZSA-N 405.458 1.653 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812056227 GVKKXEPQNHLQOS-RBUKOAKNSA-N 414.531 1.651 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ncc(Br)cn2)c1 814351359 WPQVROMTRRCKFS-LLVKDONJSA-N 423.292 1.642 30 10 HDEE CC(C)N(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)ccn1 856551741 YWQSGNANZZZBMQ-LPHOPBHVSA-N 409.556 1.854 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)n3nc(C)cc3C)n[nH]2)cn1 1083984693 ZYAWVHPMFFLNDH-UHFFFAOYSA-N 403.472 1.339 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 1116550658 GVYDEAZNOASFDI-KRWDZBQOSA-N 410.492 1.261 30 10 HDEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1131719199 ZOIMTSYEIUGKCH-CABCVRRESA-N 409.464 1.150 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OC 1132421017 CECIJHJKYNPGET-MRXNPFEDSA-N 414.455 1.084 30 10 HDEE COc1cccc(C[C@@H](C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n2nnnc2C)c1 1132853060 KOXXJOMWOQQKAD-CTNGQTDRSA-N 402.458 1.929 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1136863232 USPDVUQRWCFECQ-FQEVSTJZSA-N 420.872 1.414 30 10 HDEE CNC(=O)CC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1137214813 DUKBNGGALFNOSB-QGZVFWFLSA-N 411.462 1.138 30 10 HDEE C=CCn1cc(C(=O)NCc2ccc(Br)cc2N2CCOCC2)nn1 1137382618 BVDWQRVJNORFOK-UHFFFAOYSA-N 406.284 1.993 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N 1137537057 GJQOZSJXGORAOM-NVXWUHKLSA-N 406.508 1.501 30 10 HDEE COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1137848810 SIQCMGPDAXSFQE-DNVCBOLYSA-N 407.492 1.649 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)cc1Cl 1139227432 PTADSJLQZHJXQP-OAHLLOKOSA-N 412.833 2.000 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)s1 1139988507 ACUMOTURBDUDBK-GUYCJALGSA-N 400.522 1.161 30 10 HDEE COC(=O)c1cccc2c1CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 1143080328 ONKKDKWPRGXBRV-UHFFFAOYSA-N 413.455 1.097 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)c(=O)nc1O 1148437409 AVFGPZGRRVQWJH-SFHVURJKSA-N 412.446 1.223 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC(=O)NC)Cc2ccccc2)ccc1F 1152392631 XFASQSJWLBRAFF-UHFFFAOYSA-N 419.478 1.678 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)nc1=N 1155197236 JPDNLQHKNFVSFV-OAHLLOKOSA-N 402.499 1.542 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C#N 1158939365 CAZOEPZRKXHDBN-ZBFHGGJFSA-N 419.503 1.710 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCC(=O)OC)CC2CCCCC2)C1=O 1162217273 KFJJPJIQZCOOPF-OAHLLOKOSA-N 407.467 1.372 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2(CO)CCc3ccccc32)c1 1164473384 UQKOKIZARRYIOT-FQEVSTJZSA-N 402.447 1.729 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CO)c2cccc(C(F)(F)F)c2)C1=O 1167333994 MOLAZQUZSUSPSW-KRWDZBQOSA-N 413.352 1.006 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCCS1(=O)=O 1170221495 QXXFQTURGADGII-ZDUSSCGKSA-N 409.936 1.564 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CCCC2)CC1 1175515247 UOOHNIQSAMKEGR-UHFFFAOYSA-N 419.547 1.427 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CC1 1248730296 GEIWDKYXMGRTNM-UHFFFAOYSA-N 406.508 1.535 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)cc1 1258083741 WTXZXUSGDBPMLK-CYBMUJFWSA-N 409.265 1.953 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CC2=O)cn1 1270685200 ALDHWAYSMNLWHN-HNNXBMFYSA-N 412.881 1.647 30 10 HDEE C#Cc1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1 1273523492 YXCUBZDWOIBCLH-UHFFFAOYSA-N 400.236 1.190 30 10 HDEE N#Cc1ccc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 1279004796 DRGYPOMNGYRDED-LJQANCHMSA-N 401.426 1.994 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1286297421 BLYZUVOIRLSOHO-SJLPKXTDSA-N 424.530 1.872 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1286389104 FUVOKXORTLUYDO-QGZVFWFLSA-N 400.504 1.839 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286389514 LIDLHWOBGPIHGV-MSOLQXFVSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286439578 SBFVUBNGHIQXGK-QHCPKHFHSA-N 402.502 1.956 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1286453525 VBDFSFGCXZWOFD-ZBFHGGJFSA-N 403.508 1.352 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)c1nccs1 1286468812 KQDCYJYRWAPTEU-HNNXBMFYSA-N 402.524 1.747 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2ccn(C)n2)CC1 1286474849 RKDUGRGMAZJHOJ-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(=O)NC2CCCCC2)CC1 1286638041 SKLDMCVITABGBS-HNNXBMFYSA-N 424.571 1.494 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286705969 ILDDTKRCVKMANE-HNNXBMFYSA-N 402.503 1.526 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCC2=O)C1 1286804832 NUJGQHVTWWWMLW-GOSISDBHSA-N 413.526 1.863 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1286943027 OJLYXBNBTLQFDV-SFHVURJKSA-N 421.461 1.503 30 10 HDEE Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1290278484 IENRBINJUSCRDS-CRAIPNDOSA-N 420.543 1.224 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1296938746 JIIOSPBWRUUWDC-HXUWFJFHSA-N 405.499 1.672 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)C1=O 1297272371 FLPLKRGFIWZCHF-VBKZILBWSA-N 424.498 1.100 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C(=O)C4CC4)C3)C2)C1 1299536178 WTIDHAOSDPGXPJ-TZQQIIETSA-N 402.495 1.812 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 1300019238 STZSLINKXJOJOQ-OAHLLOKOSA-N 402.451 1.696 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@H]1C 1300440411 WWBRJLNWONRDJT-CYBMUJFWSA-N 407.316 1.826 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300490692 BRKVKPKMGVIONM-RDJZCZTQSA-N 418.523 1.033 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1300529166 HSURHFXOUXGZDI-UHFFFAOYSA-N 416.489 1.031 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCSCCCO 1300579765 WLJJQBHYERXBHN-UHFFFAOYSA-N 415.519 1.584 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CCC2)CC1 1300683737 SBORNCGQDHCBKI-MRXNPFEDSA-N 420.583 1.224 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1300699784 HUOYPMPALGLKKD-XMSQKQJNSA-N 413.522 1.655 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1301001485 JZSXSZYUUJVRST-MRXNPFEDSA-N 413.588 1.934 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@@H](C)CCC)CC1 1301087167 WQGKEJJBVZNKEQ-DLBZAZTESA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC=C(Br)C1 1301497797 DSUVIOCNPDXMAO-LBPRGKRZSA-N 409.288 1.020 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1301973152 BBHRBOUYXMEDAZ-MVZUJROASA-N 420.477 1.386 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1302017428 YYMVQNFXWOGGLN-GUXCAODWSA-N 407.515 1.672 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ncc(-c3ccc(C)cc3)o2)CC1 1302921305 BXCLDQSGZYHSPA-UHFFFAOYSA-N 416.503 1.194 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2=O)cc1 1312487739 YTWCXXWIFDEIBY-AEFFLSMTSA-N 405.462 1.740 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](c1nccn1C)C(F)(F)F 1313434397 PVEGQLZADGMXPL-YPMHNXCESA-N 408.388 1.605 30 10 HDEE CS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316350560 XCVWXNDFUYZKDZ-INIZCTEOSA-N 420.564 1.152 30 10 HDEE CSc1nc(O)c(C(=O)NCc2c(F)cccc2NS(C)(=O)=O)cc1C#N 1336914228 FFEFBWWFLZMISD-UHFFFAOYSA-N 410.452 1.821 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 1358893959 FYTGXEGKGRDZFY-MRXNPFEDSA-N 417.473 1.998 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1358919820 LJKUBYGDXNHLSG-ODIFPOPNSA-N 424.571 1.185 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCC1 1359064569 VXHPSLWZESNJOP-CRAIPNDOSA-N 408.572 1.365 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1359150775 GKMMYSDPHGGXPL-OAHLLOKOSA-N 417.963 1.990 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)CC1 1359165211 KHYYENRAZPCMED-HNNXBMFYSA-N 413.544 1.192 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1360475039 ZBNRQONUKAZZQB-SWLSCSKDSA-N 413.482 1.659 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3csc(C#N)c3)cc2)CC1 1435162792 UIZQVSBFVFCTEN-UHFFFAOYSA-N 419.484 1.556 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc21 1435870096 NRICBVPQEITCSR-INIZCTEOSA-N 404.430 1.267 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C#N)s2)c1 1436886164 UNHSDZKRXROREL-UHFFFAOYSA-N 408.505 1.128 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 1448193593 OAAMTLPKMQZBQX-KKUMJFAQSA-N 401.529 1.127 30 10 HDEE Cc1nc(C)n(C2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1449380193 WFYAJLWPRIMJHC-QGZVFWFLSA-N 407.434 1.055 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)C1 1468300168 WTMZOVQLIWBRPH-KRWDZBQOSA-N 406.552 1.660 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)cc1 1469216181 GNENCVXEXCPFLR-NSHDSACASA-N 409.489 1.885 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC3(CCNC(=O)O3)C2)nnc1-c1ccco1 1472175160 LHULGSLWXWYXTM-UHFFFAOYSA-N 403.464 1.917 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)n1 1479129883 FZKZPDIXWFHZAQ-INIZCTEOSA-N 407.515 1.978 30 10 HDEE Cc1cccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1492536741 HHCRZQMPDRNUKL-KRWDZBQOSA-N 412.494 1.763 30 10 HDEE Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)n1 1492759599 IFFQTVWKPUPIBA-GDBMZVCRSA-N 422.559 1.530 30 10 HDEE CCc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1499085402 HERGNSNKPOBKLB-FFCCVRBZSA-N 400.483 1.515 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1501551177 WPAOUMITBCAXKM-SFHVURJKSA-N 417.535 1.993 30 10 HDEE CCOCc1nnc(N(C)C2[C@@H]3CCC[C@@H]23)n1CCN/C(O)=C1\N=CC=CC1=O 1503007523 OCKKWFWZIHAHQW-MQINBFPNSA-N 400.483 1.576 30 10 HDEE CN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503485084 PXPXYBXSGMMREH-DPPKGPFUSA-N 422.489 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1507652667 IIVGGONJUYCTOV-ZWKOTPCHSA-N 417.579 1.373 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCC(=O)N(C)C)CC1 1507727845 MVGZIGIYIIZAAO-UHFFFAOYSA-N 400.552 1.554 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1507771534 BFDUNHYWNOPGDN-LUXYFRNMSA-N 411.503 1.134 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1512404055 AVSRCFXWKQDZQT-HLLBOEOZSA-N 415.519 1.865 30 10 HDEE C#C[C@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 1523759365 CIRGVWPSXMDFDQ-LSDHHAIUSA-N 400.294 1.910 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2cn(C)nn2)cc1 1527665212 HGNRMOQFZYPIGB-PYCFMQQDSA-N 418.523 1.979 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)CC1 1530233911 BWZZXZPOPHGIJV-AWEZNQCLSA-N 408.549 1.030 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccn(C3CCOCC3)n2)c1 1535253750 YSSFXPDVSBOWFU-UHFFFAOYSA-N 422.485 1.722 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1539003248 NCKGERFKEFBWRJ-ZDUSSCGKSA-N 417.477 1.319 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@H]2C1 1539489830 OTDVRJKMMNCMFW-KRWDZBQOSA-N 402.568 1.555 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1539525942 GQINZKLUUBXVEI-IAGOWNOFSA-N 403.552 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCOCCS(C)(=O)=O 1539549814 UALPQHRIBRLHNG-LJQANCHMSA-N 405.524 1.337 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1cnn(-c2ccccc2)c1)c1cc[nH]n1 1539856766 DWAURBQYUBYQHA-UHFFFAOYSA-N 410.434 1.238 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)CC1 1539882177 GQHCVMOCMJPGGM-UHFFFAOYSA-N 410.931 1.945 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1540197984 AZNZRLKADAWNHH-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)CC(=O)NC(C)(C)C 1540872976 IHYLTCHOOFVJRH-UHFFFAOYSA-N 404.540 1.584 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1542632767 RTQBIELHLXMXGX-LJQANCHMSA-N 413.424 1.530 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C 1544027712 RHKFLHFUBOTCEP-UHFFFAOYSA-N 402.476 1.974 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1 1544507861 AHVYUFRFPSBHHQ-MSOLQXFVSA-N 411.545 1.911 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1547250231 BVCQEDOGDWOAPS-UHFFFAOYSA-N 404.478 1.812 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1=O 1555585244 WWRGDTFYACPKFR-QGZVFWFLSA-N 416.457 1.096 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC2CC2)cc1 1557640534 USKSDCJTHFMUPD-UHFFFAOYSA-N 419.547 1.948 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)ccc1F 1557686209 HUSXEFCXLPRKOS-UHFFFAOYSA-N 424.454 1.647 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OC 1557937298 DVUDMUYWDZLEJP-QGZVFWFLSA-N 403.460 1.542 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C(F)(F)F)cc3)CC2)CC1 1558072800 DHQUDDZYBZPHTP-UHFFFAOYSA-N 415.437 1.349 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCOCC1 1558775794 GPNINVLNZYYJOM-GOSISDBHSA-N 405.520 1.665 30 10 HDEE C=C(C)CONC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1559008699 BNMHMJQVZFPXEW-UHFFFAOYSA-N 411.524 1.791 30 10 HDEE C=CCCn1cc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 1560751436 SHRJVSVMXGZXQE-IBGZPJMESA-N 412.542 1.209 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)OC 1561512333 VMOQPSSGKMNIGC-GFCCVEGCSA-N 410.261 1.919 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 1561564959 FGGBBDVHHAEXBT-OCCSQVGLSA-N 408.423 1.917 30 10 HDEE COC[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(Br)c1 1561854865 HJEJKWOXBOPBSN-KBPBESRZSA-N 404.286 1.195 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCNC(=O)C1CC1 1574479989 ZVVCCQAZLPHMPO-GJNTUIEKSA-N 403.523 1.522 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)C1=O 1583860463 CVBAWQUULHSKGS-UHFFFAOYSA-N 404.732 1.347 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 1584075336 PIUKDCSFHBFWAN-HZPDHXFCSA-N 407.515 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1587638967 IHLMHAWEVYCIMO-CJNGLKHVSA-N 423.564 1.487 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1587759303 RXIQCXWTSQHDIJ-INIZCTEOSA-N 412.473 1.288 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1587842281 OOSKXXBRGFIZFR-OAHLLOKOSA-N 409.498 1.667 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1587915639 PCBJWQYZSPOENN-OAQYLSRUSA-N 416.526 1.741 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCC=CO1 1587932289 OCDUCUAXISTFCW-KRWDZBQOSA-N 415.519 1.958 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588053090 AYBLEKVPYVCWIR-XHSDSOJGSA-N 412.581 1.898 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Cc2cccs2)CC1 1588805710 AKTHVZOYZYXPDS-FUHWJXTLSA-N 412.563 1.925 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1589060046 MWVMZFPPVNANAF-OAHLLOKOSA-N 411.597 1.678 30 10 HDEE C=CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1594660590 LPGPMMWHFXRGRU-GHTZIAJQSA-N 405.543 1.807 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1594812856 LRTURICDWMZLKU-NXHRZFHOSA-N 424.567 1.777 30 10 HDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1595452817 CTPQBAMNGQNXJB-CSODHUTKSA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1595798052 MGSWMTMXOSYBJY-UHFFFAOYSA-N 423.583 1.841 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NC(=O)COC)CC1 1596084956 KXARVUIKHYCFRX-CQSZACIVSA-N 403.907 1.776 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]3(OC)CCS(=O)(=O)C3)n[nH]2)c1C 1596675155 VACSKKRIZXGPSV-GOSISDBHSA-N 407.496 1.010 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)c1 1603639367 LDLAGBHIDLXWPI-WOJBJXKFSA-N 422.503 1.030 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC(F)(F)C2(O)CCCCC2)c1 1606914022 FPZSCGFZHBBQCR-UHFFFAOYSA-N 400.447 1.658 30 10 HDEE Cc1ccc(C(=O)NCC(F)(F)C2(O)CCCCC2)cc1S(=O)(=O)NCC#N 1606914363 PTRZTZOOBMCKHZ-UHFFFAOYSA-N 415.462 1.857 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)Cc2cc(C#N)cs2)cc1 1611455674 OGSALDPNVDHKKJ-UHFFFAOYSA-N 420.516 1.857 30 10 HDEE Cc1nn(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(C)c1[N+](=O)[O-] 1611649129 WWYVMLIPJAMUND-UHFFFAOYSA-N 415.406 1.702 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)n1 1612493514 XPVLXHIWYHIGCQ-MOPGFXCFSA-N 400.462 1.060 30 10 HDEE CCN(CCCNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 1616638509 CUOBXTMDYUKARU-UHFFFAOYSA-N 406.552 1.886 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CC(O)(CC#N)C3)ccc2NC1=O 1616733370 OKCOKVKSYOAIAO-INIZCTEOSA-N 414.462 1.565 30 10 HDEE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1617688723 MXENIHVMMITSKI-CJNGLKHVSA-N 402.882 1.938 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)cc1 1621636293 HUKAILBMBZJHNU-UHFFFAOYSA-N 414.483 1.832 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2O[C@H](C)C#N)cc1 1623713940 GBMHHGDHHMZJLA-CYBMUJFWSA-N 416.459 1.853 30 10 HDEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)cnn1CCC#N 1624327565 IUAOAFBZTFPVAW-UHFFFAOYSA-N 403.508 1.970 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1 1629068315 BULQPKIVDJQCBN-UHFFFAOYSA-N 402.407 1.499 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1629722054 FBKSGYNPBQMXJB-UYAOXDASSA-N 421.501 1.724 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CC(=O)NC)s1 1629899656 STWXGAQCAPMNOU-UHFFFAOYSA-N 407.517 1.682 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(Cc3ccccc3)C2)s1 1630693086 NMTAYYKAFGSKLS-UHFFFAOYSA-N 419.528 1.583 30 10 HDEE C#CC1(O)CN(C(=O)NCCOc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 1631773163 XZSNZZRKVVFPLC-UHFFFAOYSA-N 409.442 1.716 30 10 HDEE COc1ccc(Cl)c(N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1632025451 XUJOJDWVMLGVJZ-VXPUYCOJSA-N 418.881 1.914 30 10 HDEE CC(=O)N1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2)CC1 1632630606 YXPZJXXSXFAVRA-MRCUWXFGSA-N 411.462 1.210 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2O[C@H](C)CC)CC1 1633106899 DOXNILOSRPGNMQ-QGZVFWFLSA-N 422.551 1.467 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)cc1 1633499764 AETVOTZOYYCECY-FQEVSTJZSA-N 415.471 1.111 30 10 HDEE Cn1cc(C(=O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1636444189 QQOXVTKTMQCBQE-LXDLAPCHSA-N 401.467 1.506 30 10 HDEE CN1CCC(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)(c2ccccc2)CC1 1637894384 IEJHAWMLVJEZCT-GHTZIAJQSA-N 416.547 1.230 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1637976239 OOBGTDBRAMLZOL-SFTDATJTSA-N 415.538 1.030 30 10 HDEE C#CCN(CC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1639423911 XARHUTZQAHWTSP-HXUWFJFHSA-N 411.499 1.345 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CC[C@H](C)S(=O)(=O)C3)ccc2c1=O 1639977541 PVMOXYABULCOFE-AAEUAGOBSA-N 407.517 1.567 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(Br)nc3n2CCOC3)n1 1639992272 SSRJTOQVUUJQBI-UHFFFAOYSA-N 422.283 1.294 30 10 HDEE CC(C)(C)OC(=O)[C@](C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1 1642347818 BAFGBABXMWTXIF-OAQYLSRUSA-N 412.446 1.584 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)CC1 1643372433 LFBJNVOWZUANSW-QGZVFWFLSA-N 407.536 1.498 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 1644281889 PFADSQMPENTIOU-UHFFFAOYSA-N 424.482 1.720 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@H](C)O[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1644798666 SMBDRGKDUXRDMU-JTSKRJEESA-N 405.539 1.959 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1OCCc2ccccc21 1645390285 VAIJOBADXGIWDN-GOSISDBHSA-N 413.499 1.936 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1OCCc2ccccc21 1645390286 VAIJOBADXGIWDN-SFHVURJKSA-N 413.499 1.936 30 10 HDEE COc1cc2ncn(CCCC(=O)NCC#C[C@@H]3CCCCO3)c(=O)c2cc1OC 1648586318 JABCDSVDGIGNQU-INIZCTEOSA-N 413.474 1.883 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3ccn(C)n3)C2)s1 1652125904 OZMLUXITILTLPD-AWEZNQCLSA-N 408.549 1.895 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)s1 1654811837 OUTHGPBJWPRNAN-UHFFFAOYSA-N 401.444 1.690 30 10 HDEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H]1C 1655873072 DGLBZXLHZIVZMU-KYHREEPGSA-N 406.571 1.977 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1658501543 KVWDWSPSGFITOO-FXBPSFAMSA-N 404.492 1.491 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1661339157 AUFIQCQADWHZHX-UHFFFAOYSA-N 417.528 1.838 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 1663369135 HUYVDKUNLCGKRT-ZIAGYGMSSA-N 401.872 1.470 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2=O)cc1 1672352018 BRELELHPZZPSFC-HNNXBMFYSA-N 423.395 1.423 30 10 HDEE C=CCN(C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2)[C@@H]1CCS(=O)(=O)C1 1674932780 MDLRMNMROPXVQH-QGZVFWFLSA-N 421.519 1.819 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1682559857 HWTPSDVZAAHTOK-SFHVURJKSA-N 423.469 1.822 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 1684035065 AOHWCZPUPONELM-UHFFFAOYSA-N 424.498 1.549 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1689928130 HOGMUOUCOBOWRU-CABCVRRESA-N 413.482 1.727 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@]1(N2CCOCC2)CCSC1 1690100751 ABAJUYKQCCXSGQ-HXUWFJFHSA-N 405.568 1.449 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC(N)=O 1690234848 PFLATHPHLXMXAU-INMHGKMJSA-N 404.515 1.195 30 10 HDEE C=C(C)COCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1690302976 QLPJWGAASALRAC-UHFFFAOYSA-N 406.508 1.778 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690733929 QUKKZGVFDGCQFE-CQSZACIVSA-N 415.585 1.349 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1690993302 HZKIYVCXGCQGAR-SZNDQCEHSA-N 422.493 1.532 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1698144809 SAOIBXSKAUEZAW-CABCVRRESA-N 417.466 1.904 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCOCC2CCOCC2)c1 1698485313 BLYLRCBGIKZTFO-UHFFFAOYSA-N 424.505 1.586 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1705485486 KDEKNBIYIBPNKX-HZPDHXFCSA-N 421.509 1.684 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1705523516 ZNFFNWCEWKWANM-UHFFFAOYSA-N 408.506 1.991 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705532090 FWVNOZBAEQCLJX-QZTJIDSGSA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1705542883 PYMYFXFHKVRRRY-IAGOWNOFSA-N 401.515 1.474 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1705551597 PGBNPOGGLDTJFE-MSOLQXFVSA-N 407.584 1.618 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccccc1CN1CCC(O)CC1 1705586930 BQLUDNQFNREIAV-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCC(F)(F)CC2)CC1 1705632127 IOFJNKCTFBYGIQ-UHFFFAOYSA-N 408.497 1.997 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705752080 HSNCCLBWOHEOLO-UHFFFAOYSA-N 413.935 1.339 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1705946641 NEBUSZDNDRDWEV-AWEZNQCLSA-N 403.574 1.376 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1709829761 AEUOZELRINCCHD-JOCHJYFZSA-N 421.505 1.592 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722326902 AABQSAWDLUNAFC-UHFFFAOYSA-N 419.533 1.877 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(=O)NC)c1 1722354361 OYZUHIRSPDVEQK-UHFFFAOYSA-N 413.485 1.994 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369123 YSKAMVJZSARCSX-WMZOPIPTSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(O)CC(OCC)C1 1722382858 GIFUKBFKDJHIBL-UHFFFAOYSA-N 408.502 1.880 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1722385196 DADJRKAPVJYPBL-UHFFFAOYSA-N 414.473 1.307 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2nncn2C)CC1 1722440058 ASZAGLLWBCUXGB-UHFFFAOYSA-N 404.522 1.385 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H]1C 1722466718 CYGKPFPBUDSWKI-TXPKVOOTSA-N 408.572 1.365 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1722476238 ZFLDUZSEYWCTFQ-GRDNDAEWSA-N 414.478 1.597 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@H]1CC 1722492331 BAWRQZSEKOKBCK-BBWFWOEESA-N 416.526 1.210 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722566940 FDSABMSWNAQHBA-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722624323 ADKSQBNEMAVJLZ-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1722671995 HQXGXZCPYTWERA-AWEZNQCLSA-N 408.553 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2nc(C)no2)CC1 1722731412 JYYPDKZOQXNCJQ-UHFFFAOYSA-N 424.527 1.491 30 10 HDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1727866839 IFXCIUNYOTWVMK-ONEGZZNKSA-N 407.478 1.902 30 10 HDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)C1CC1 1728498695 AZDZGKMVLGPVRL-MRXNPFEDSA-N 407.522 1.968 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1728631074 ODRXSCVEVNBBBK-SFHVURJKSA-N 411.558 1.749 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1730872656 CYIZJJDHGXCQRR-ZACQAIPSSA-N 415.498 1.190 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1740531829 UZUNMSOSNFHDRL-ZDUSSCGKSA-N 412.885 1.496 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1740536298 CVEJWAGRAUWENU-SJKOYZFVSA-N 407.316 1.560 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1740538282 LKWBKFFRCUUNQV-CABCVRRESA-N 417.583 1.955 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C(N)=O)nc1 1740540511 WDOKIDPJPIDNQG-CYBMUJFWSA-N 405.418 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1740550182 PLZWKYSIZWLXLK-ZWKOTPCHSA-N 401.559 1.105 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CCOCC1 1740630515 IYVXELKMNGUHMT-INIZCTEOSA-N 407.540 1.168 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740661749 IYYYTXJHNWKGFG-HNNXBMFYSA-N 405.524 1.599 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740680184 UKVPNSWMSAUHSK-UHFFFAOYSA-N 416.526 1.742 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740722845 GDXKFJSCJKPOKE-NPPFBWRTSA-N 416.570 1.908 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1740803873 WDBVMZXZALVNGQ-STQMWFEESA-N 414.923 1.074 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)CC1 1740839137 BKDCZNVLKNGYSC-UHFFFAOYSA-N 410.522 1.915 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740874190 PAGYPENJCSJLTQ-OALUTQOASA-N 415.586 1.800 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740995637 SGZBZNNQZLLLPF-HNNXBMFYSA-N 421.571 1.330 30 10 HDEE CN(CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1747954195 FLJQMZSKCFGNPT-HNNXBMFYSA-N 409.416 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1748655947 IWEBSEGUSYCHNN-LIRRHRJNSA-N 410.507 1.247 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1748665994 YPPGKUNTLKGLAS-AWEZNQCLSA-N 407.478 1.175 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1C 1748836274 SJHGPWJHKKLLTN-UHFFFAOYSA-N 412.461 1.084 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccccc1 1748845820 AXFBXEXEWUWCSV-OALUTQOASA-N 412.515 1.641 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](SC)C(C)(C)C)CC1 1748991059 PLYZTIGLLKQVCW-HZPDHXFCSA-N 404.584 1.762 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749227005 WYLAGMVXEFZZRR-UHFFFAOYSA-N 402.499 1.659 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1749229688 OAKUXUPEUZZGNQ-KBAYOESNSA-N 424.567 1.777 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1749670378 QLGVSVKVDVHUSZ-GOSISDBHSA-N 413.526 1.648 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750171723 CAQUMQHVQXETNR-RMYFCYLKSA-N 412.450 1.598 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1750449012 CUOPUGUHLUWOIH-QGZVFWFLSA-N 422.599 1.967 30 10 HDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760132805 PNLRUQLAGFCXAD-UHFFFAOYSA-N 424.549 1.967 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760190433 QRHQMIHWTOWNNI-QGZVFWFLSA-N 422.576 1.982 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2cccc(C)n2)CC1 1760257134 PIGZNVBGOOASJJ-LJQANCHMSA-N 412.538 1.703 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1760275711 GBKYZMVRMOMPHT-UHFFFAOYSA-N 406.533 1.552 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1noc2c1CCCC2 1760500880 XVBMEUXAUGHMDO-UHFFFAOYSA-N 402.499 1.970 30 10 HDEE C=CCNC(=O)Cn1c(N2CC=C(COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760529091 WTMHDOVIHHWFON-OAQYLSRUSA-N 419.526 1.404 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)CC1 1765561742 CXTSGIIIDYWLDW-OALUTQOASA-N 403.575 1.796 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)NC(C)(C)C)CCOC1 1765817374 DKVFKCDNNNCXLR-QRWLVFNGSA-N 406.531 1.831 30 10 HDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1769026435 AZROHVKIWRHJKD-ODIFPOPNSA-N 424.571 1.833 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)N2CCc3ccccc32)CC1 1851220922 CIWWCFVPIKDMRG-RTBURBONSA-N 401.470 1.827 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(CC#N)cn3)CC2)cc1 1852156716 CUFUDGOIXNEQRZ-UHFFFAOYSA-N 400.460 1.303 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2nn(C)c3c2CCC3)C1=O 1854081775 CALWYOMLZPLUCG-MSOLQXFVSA-N 413.522 1.149 30 10 HDEE COC1CCN(C2CN([C@H]3CCCCN(C(=O)c4ccc(C#N)cc4)C3=O)C2)CC1 1854176045 DZMGCMNWJDUEHP-NRFANRHFSA-N 410.518 1.875 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(S(=O)(=O)CC(C)C)c3ccccc32)CC1=O 1854790969 ADOXIIGDIFWALU-HNNXBMFYSA-N 419.503 1.387 30 10 HDEE C[C@H](CC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O)n1cnc2c1CCCC2 1855009350 ZAXZLAHGAUMPLS-QZTJIDSGSA-N 412.538 1.372 30 10 HDEE CN1Cc2ccccc2C[C@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855702988 LGTQSHQEPBEZPO-IBGZPJMESA-N 424.482 1.276 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC([C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856305055 VIDWNKJXVKNBAL-PMACEKPBSA-N 408.502 1.880 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1856954997 CTTBMJJECBWAED-INIZCTEOSA-N 414.485 1.443 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1COCCO1 1857019463 QBRBIWYGAQBGJC-MAUKXSAKSA-N 420.487 1.247 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C2)CC1 1857205545 LCXFCHBEMLPUCF-HKUYNNGSSA-N 412.490 1.864 30 10 HDEE COCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2C#N)cc1 1858994533 GPFBJFLRFAOBRX-UHFFFAOYSA-N 416.459 1.374 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870098788 CAKTXVOPWAYRLA-UHFFFAOYSA-N 422.426 1.474 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCC(O)CC1 1870537529 FITGIFWLHMNHNH-UHFFFAOYSA-N 401.463 1.279 30 10 HDEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 1902632477 LTUGYQXOIZJZBW-IPMKNSEASA-N 414.506 1.905 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CC1CC1 2050653853 QCXVCHSGDFMCJB-LJQANCHMSA-N 407.467 1.966 30 10 HDEE CN([C@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(C#N)CC1 2054404941 XTLHSZYYOWXHLI-MSOLQXFVSA-N 406.508 1.856 30 10 HDEE C#CC[C@H]1COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2057290205 JVORYDQRSDHVNP-HNNXBMFYSA-N 404.488 1.363 30 10 HDEE CC1(C)OB(c2cnc(N3CCn4ncnc4C3)c(Br)c2)OC1(C)C 2116143023 VAVYCAYPZQASOS-UHFFFAOYSA-N 406.093 1.755 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N(CCC#N)CC1CCC1 2181053370 KTKSIGGRGMEHDD-OAHLLOKOSA-N 401.529 1.857 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2188397374 ZTPBRZVSIBCZNE-CABCVRRESA-N 400.541 1.965 30 10 HDEE COCC[C@@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)C1 2202163142 ASXDDRWJEMFRBO-SGTLLEGYSA-N 404.529 1.928 30 10 HDEE Cn1nc(C(=O)N(CCN)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2243424924 ZZHBGTLAVVYSQV-UHFFFAOYSA-N 418.734 1.974 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247864862 MHCWZIKKBNJUCR-KRWDZBQOSA-N 416.205 1.862 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247921581 QZFCUOGVDSIJCD-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2248406575 ZVUNDDVYOPZNNK-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE CC(C)(C)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258154619 IXXZQVYDPAXSEC-HNNXBMFYSA-N 411.480 1.710 30 10 HDEE N#CCC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258176432 WAGKFSPAOYRJIP-MRXNPFEDSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cc[nH]n3)cc2Cl)OC1(C)C 2267702909 NDKZHEYQFQQWRP-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE CCN1CC(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267710447 VVNJZZOMSHRZDV-UHFFFAOYSA-N 406.766 1.683 30 10 HDEE Cc1csc(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282010512 XBOPFLUZMJXMBD-NEPJUHHUSA-N 401.359 1.907 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCCC12OCCO2 2282011992 PNXZXLSYUPSSCW-CQSZACIVSA-N 405.304 1.443 30 10 HDEE CC1(C)NCCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340625 IEHMNVODIWYYBL-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CS[C@@H]1CCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282342033 BDQXIDPNZJOQMM-CHWSQXEVSA-N 401.363 1.282 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2CC[C@@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282492061 NHCHRQUBZDJYEM-STQMWFEESA-N 400.375 1.774 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@](O)(CO)C3)c2Cl)OC1(C)C 2282642316 LUOIYRRRXWNWAT-QGZVFWFLSA-N 401.721 1.660 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282675875 CWKBDSIXLFYXHR-WMLDXEAASA-N 402.300 1.994 30 10 HDEE COC1(CN(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282829889 LWGCZCRXSZDNBD-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CO[C@H](CCO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834607 LQJSFJKESDAPEC-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE CC[C@H](CSC)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838133 JKGFZMVDEFVVRH-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CN(CC1(O)CCC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846263 HKDNOZSEZAPYPP-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CN)C3CCCC3)c2)OC1(C)C 2282853050 XXSBBZNHZZPQCI-AWEZNQCLSA-N 400.375 1.843 30 10 HDEE CN(CCN1CCCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282862344 BHMFFKCUAAIXQL-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867058 SPDRRYDHUSFKJT-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE CCN([C@@H]1CCN(C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282868770 SDNGEJPBUGJVTN-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC[C@@]1(O)CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282881712 BGIJAWAUMWYESF-QGZVFWFLSA-N 401.359 1.724 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C(=O)O 2284398989 DYHIZWLGLVBHPB-NEPJUHHUSA-N 401.315 1.435 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@](C)(=O)CCC(=O)O 2284472502 HNIAGWVZGFLOAK-AREMUKBSSA-N 402.303 1.463 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2290402940 ILHWQXCMBGGCMK-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)OCCNS(=O)(=O)N1CCC(C#N)CC1 2295771817 SRZSBKHZHOXIEZ-UHFFFAOYSA-N 404.533 1.376 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2 2303248617 IHAYMWYOYGMQMO-STQMWFEESA-N 424.361 1.508 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338650071 ZEMPXSGJJJBTKS-UONOGXRCSA-N 402.538 1.746 30 10 HDEE Cn1nc(Br)c(Br)c1CNC(=O)[C@H](N)CCCCC#N 2364417009 FOTZUHAOQDDEQI-MRVPVSSYSA-N 407.110 1.973 30 10 HDEE CC1(C)C[C@@H]([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365173387 RTDZSVLNORUPRM-DZGCQCFKSA-N 401.525 1.779 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365200786 BMVHYUULEQNMBB-GJRWTSMGSA-N 400.541 1.161 30 10 HDEE COC1(CNC(=O)OC(C)(C)C)CC([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367794482 HWIVOGNHJUBGSS-CSLYMUCUSA-N 401.525 1.638 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797369 UWWNVVOKRDBNGB-SCLBCKFNSA-N 401.481 1.294 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2367804834 XAXVTSJWOYESIU-CVEARBPZSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367813384 CWNWPLGANKNASL-CAOSSQGBSA-N 400.541 1.339 30 10 HDEE C[C@@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 10938952 BPYXMLTVDKUNKC-OKPNEXGHSA-N 416.821 1.193 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc(C#N)cc2)CC1 25117736 JTPMOCPUGOWDLW-UHFFFAOYSA-N 415.519 1.958 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 27903426 RLTAPCAQHLQZQJ-HXUWFJFHSA-N 411.550 1.858 30 10 HDEE Cc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443893 YTYBVKZRBFFPJF-CABCVRRESA-N 406.446 1.004 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccco1 102722555 OCVDXPMLTXNSPI-SCDSTIRESA-N 402.359 1.618 30 10 HDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254509863 PRWSMYRCUIFQAY-KBPBESRZSA-N 412.489 1.552 30 10 HDEE COC(=O)CCCS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404886345 MOHHMNFYCYKEFD-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)nc1)c1ccc(S(C)(=O)=O)cc1 431227742 BBTMYWGAQUXEQM-IBGZPJMESA-N 401.444 1.565 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433011403 OBXJRCOUJPGQPU-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE CSC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 434556034 YMSRASNQVJPTBX-UHFFFAOYSA-N 408.549 1.860 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H]1CCCO1 460932809 ODHDOSLNKLLWTC-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncc(-c2ccccc2)cn1 461345948 VFMBQXXWRQZCAA-OAHLLOKOSA-N 421.482 1.998 30 10 HDEE N#CCN1CCC(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 464975854 WKCDTUUUMBTUGF-UHFFFAOYSA-N 404.536 1.439 30 10 HDEE CN1CCOc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 473278463 DMAMTLYQRUBEIX-UHFFFAOYSA-N 406.446 1.069 30 10 HDEE CCN([C@@H](C)c1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480466700 LRLAQAOYTZLFKZ-HNNXBMFYSA-N 413.565 1.943 30 10 HDEE CCc1cc(N2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)ncn1 481815361 OMZWWIVPOVZLKW-UHFFFAOYSA-N 420.521 1.806 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)n1 484496017 CTYHWCJMLUTSEY-QGZVFWFLSA-N 411.462 1.755 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)O)cc1 485808800 AITOCWAFKICSBU-INIZCTEOSA-N 420.462 1.963 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 487461859 BILFCZACFRTFHY-AZUAARDMSA-N 421.505 1.361 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](C)O1 503167055 VRCXRAMGLWUJLT-KBPBESRZSA-N 421.479 1.282 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 506898789 WDQMCQOQWGBFAW-UHFFFAOYSA-N 404.492 1.782 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC(C)(C#N)CC1)n2C 507838436 QERQEYSQJSUJFS-UHFFFAOYSA-N 417.535 1.908 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508467219 XNCATBWSPVSWMJ-INIZCTEOSA-N 422.493 1.618 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 508497202 JSKUGUHAXQQGKA-QGZVFWFLSA-N 421.523 1.442 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)ccc1F 510600346 NKHYSGYVOQINQP-HNNXBMFYSA-N 403.435 1.656 30 10 HDEE Cc1c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cccc1S(N)(=O)=O 513779908 NFIDWYJYEYQBRY-UHFFFAOYSA-N 400.504 1.718 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N 515888122 HMROPHDMDJFROJ-INIZCTEOSA-N 406.508 1.597 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCN2CCN(c3ccccc3)CC2)CC1 520313614 FNHYQEFBQSJBSP-UHFFFAOYSA-N 413.566 1.035 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N(CC)CC)nc1C 526842710 IIZYRDIUDGPMJH-AREMUKBSSA-N 401.510 1.350 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(CN4CCCC4)cc3)CC2)n1 544877106 LCQFWXKJKXNZMT-UHFFFAOYSA-N 418.545 1.987 30 10 HDEE CCc1c(C(=O)N(CCC#N)c2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 554795597 JWSIXLKKAYQHPI-UHFFFAOYSA-N 409.421 1.894 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc([C@@H](C)OC)no1 558991607 NMIKERIQPGRUPN-NWDGAFQWSA-N 413.504 1.191 30 10 HDEE O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 559623007 OEEPYWBALGAYAT-ZDUSSCGKSA-N 402.266 1.986 30 10 HDEE N#CC1(c2ccc(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)cc2)CC1 565620411 LJDRVVPRUBSLNP-UHFFFAOYSA-N 412.471 1.910 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)CC1 566822356 HEJDDDIAYDWOTJ-OAHLLOKOSA-N 420.416 1.477 30 10 HDEE CN(C)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 604381369 DINDIKSUNZZXCD-UHFFFAOYSA-N 404.536 1.512 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCC1CCN(S(C)(=O)=O)CC1 604533369 FOHZGCHYXOLRDJ-UHFFFAOYSA-N 410.496 1.964 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(Cc3ccnc(C#N)c3)CC2)c([N+](=O)[O-])c1 610991238 GIJIJZQVJVMDQA-UHFFFAOYSA-N 401.448 1.587 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCOc2cccc(F)c2C1 619836240 YXVVPYHSHWUJPY-UHFFFAOYSA-N 420.404 1.946 30 10 HDEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(OCC(=O)O)c1C 726155729 YBYICHLGUPBBLF-UHFFFAOYSA-N 416.455 1.931 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C(=O)N(C)C)C(C)C 729694947 HJQUQTMASZKFLJ-RDJZCZTQSA-N 423.535 1.796 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)c2c(c1)OCO2 732152921 HIHSIVULTQWACI-DTQAZKPQSA-N 408.208 1.434 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Br 732647696 KEULZPVMSJAHGW-ZDUSSCGKSA-N 412.309 1.665 30 10 HDEE COc1cc(COC(=O)C[C@@H]2NC(=O)NC2=O)ccc1OCc1cccc(C#N)c1 751568807 OHKNGNRWYPYNED-INIZCTEOSA-N 409.398 1.787 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCN1C1CC1 765301547 BWZSUWUQMINXAD-SFHVURJKSA-N 403.508 1.108 30 10 HDEE CC[C@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCN1CC(F)F 766039459 PCNQQDKOQMNABJ-ZDUSSCGKSA-N 414.478 1.303 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CN1C(=O)CSc2ccccc21 766990022 FHNBYLHSIDWLON-UHFFFAOYSA-N 417.468 1.511 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767146943 BBVKVKQLRFWUTM-VQTJNVASSA-N 417.465 1.482 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC[C@@H](O)C(F)(F)F)cc1 768971491 ZWHCTQMFCWMKRO-JPHFOSBYSA-N 422.429 1.934 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCn2nnc3c(cnn3-c3ccccc3)c2=O)cc1 781267679 WEVOGQQITAEZCI-QGZVFWFLSA-N 402.370 1.083 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2C1 782680925 PJUPVIYZWBIBGO-CQSZACIVSA-N 400.483 1.515 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2Cn2cncn2)n1 788863259 ZNEXOYHQGCKFKL-UHFFFAOYSA-N 407.478 1.514 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nc(O)c3cnn(-c4ccccc4)c3n2)n1 789323541 LYPHWKXWINWEEN-UHFFFAOYSA-N 417.473 1.999 30 10 HDEE C#CCN(C(=O)c1ccc(OC)cc1OCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 789643920 LVICTFQKHJTYGM-MRXNPFEDSA-N 409.504 1.762 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CNS(=O)(=O)c1ccccc1N 800232095 GNFSIBOMUFZYKA-UHFFFAOYSA-N 409.851 1.846 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1)n1cnc(C#N)n1 800334476 DQQCFAGTNPLYAS-GOEBONIOSA-N 411.466 1.926 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800781598 NIZXMIWCELTNNY-INIZCTEOSA-N 416.489 1.555 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)n1 856710963 XORRVKWVKHXUCZ-PMACEKPBSA-N 406.483 1.790 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)cnc21 916928904 YBQQRGZEZAQJJK-SNVBAGLBSA-N 419.228 1.784 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Oc3ccccc3)n[nH]2)cn1 1084165064 LUNXLKPVCJXLIH-UHFFFAOYSA-N 401.452 1.791 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CCc3nncn3CC2)c1 1125419209 SJVHSADPCVIPFR-GOSISDBHSA-N 407.474 1.104 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN4C(=O)OCC[C@@H]4C3)CC2=O)cc1Cl 1127265924 RAMMDDRNZMTUJK-DZGCQCFKSA-N 402.838 1.618 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(C)c(C#N)cn2)cc1 1128863787 GJMRSPOZYBAFPW-CQSZACIVSA-N 410.430 1.822 30 10 HDEE COCCCn1nc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)ccc1=O 1135983174 RPBLUSUHJPKRMR-LJQANCHMSA-N 413.453 1.442 30 10 HDEE CN1CCN(CCCN(C)C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1136817664 WMNJNYGFPFTKTN-UHFFFAOYSA-N 406.571 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)C1 1137430223 HJVZASYJKWOCPH-UHFFFAOYSA-N 411.462 1.936 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)C1CCOCC1 1141127621 URCVWWMIZRNPRW-UHFFFAOYSA-N 415.309 1.573 30 10 HDEE C#C[C@H](CO)NC(=O)Cc1ccc(I)c(Br)c1 1141496755 UBPFPINGWCTMJT-SECBINFHSA-N 408.033 1.707 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CC[C@](O)(CC#N)C2)cc1 1143190292 IUMNMTNGYBZPBR-HXUWFJFHSA-N 419.503 1.802 30 10 HDEE CN1CC[C@@]2(CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)C1 1158522239 ALOZWDHJPDMGSG-GCJKJVERSA-N 409.490 1.708 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](c2cn(C)nn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1159128930 YBOIHGUMHXCXHC-KGLIPLIRSA-N 416.507 1.038 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 1208013001 IFQNYWWGFOYFNJ-UHFFFAOYSA-N 404.513 1.504 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286389342 IGKXVHMBRWWQJA-KRWDZBQOSA-N 406.552 1.868 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1286391214 GZBDCQJWCXOHPP-SFHVURJKSA-N 420.579 1.943 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1286451388 IZXGLFUSPMDUSG-HNNXBMFYSA-N 415.523 1.352 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)cn2)CC1 1286493311 NMFDDGKRHGLVCL-INIZCTEOSA-N 412.469 1.330 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC(N)=O)C1 1286515290 WULYHQAHJPSYNK-RYRKJORJSA-N 421.567 1.460 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)CC1 1286564100 SVZQGVXWYKSNEJ-IPMKNSEASA-N 405.543 1.879 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1286606245 KLMPQSZKQLXETK-INIZCTEOSA-N 404.515 1.127 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286612168 WJBBODBKFUJUNR-LJQANCHMSA-N 404.540 1.928 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286664619 ZBQUYRPABVWIJU-ZWKOTPCHSA-N 403.527 1.679 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286818431 IMVMTHURHXKGCZ-PBHICJAKSA-N 420.539 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286820848 TYDZHHCOYQUBNV-INIZCTEOSA-N 422.555 1.093 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286821433 KXAKZJAZLJJOQK-QFBILLFUSA-N 412.556 1.462 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1286828969 SWMFKWWYIRZQNF-QGZVFWFLSA-N 415.567 1.813 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1288518010 REUWDABQFPCOSY-GDBMZVCRSA-N 424.484 1.900 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1292238868 OXHLANBLZORGRD-UHFFFAOYSA-N 400.522 1.707 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1293866787 GMMQAKGMCVLXGV-INIZCTEOSA-N 415.542 1.693 30 10 HDEE CCN(C)C(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1295078278 HSCXBBMRAPRIAS-SFHVURJKSA-N 412.494 1.279 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1298423595 BWKYVHGEIHMOEN-NSHDSACASA-N 400.178 1.807 30 10 HDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CCOC1 1299799679 BMSFFFIBIAWAPW-SIKLNZKXSA-N 424.505 1.727 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCOC2)CC1 1300683274 YWDZMBBKUPFFAZ-KRWDZBQOSA-N 409.494 1.107 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1300767999 JAKKYPAHOLUPEP-UHFFFAOYSA-N 412.510 1.154 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301484701 KWPSCXYJDKVJRC-SFHVURJKSA-N 421.505 1.614 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C[C@@H]1F 1302852582 KDWSGBPXCPYZNS-PBHICJAKSA-N 418.498 1.646 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CC2(C(N)=O)CCOCC2)c1 1302986133 FKBIZHNYNAZXCH-UHFFFAOYSA-N 424.505 1.308 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCSCCCO)cc1 1302989538 OAXWYYZTGAGEIE-KRWDZBQOSA-N 414.535 1.634 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)cc1 1304305145 NUSWMIJHFOUABN-UHFFFAOYSA-N 404.410 1.375 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1305116920 GVQULACWIKOZCY-GFCCVEGCSA-N 408.384 1.958 30 10 HDEE CCc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1306010697 HLEQHTGJPOBINT-HNNXBMFYSA-N 415.523 1.504 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCOCCOC 1306153416 JZMWLYOXWORBNV-UHFFFAOYSA-N 400.483 1.819 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1307987546 ALXUZGKNQQPFCW-AVRDEDQJSA-N 422.570 1.359 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 1309613585 PHAMWHVKHVHGKP-QZTJIDSGSA-N 407.536 1.380 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(O[C@H]3CCN(C)C3=O)cc2C)CC1 1310648651 GHJHTSYZRMZWRQ-KRWDZBQOSA-N 414.462 1.915 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@H](O)C1 1316286187 ZCKYZYLDLHKLLD-GHHWKCCRSA-N 407.490 1.995 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1352904945 MDQZSVDFUQKFKL-SJLPKXTDSA-N 408.495 1.418 30 10 HDEE C=CCOc1ccc(CC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1354163934 GZXRFVOPHZNHGK-UHFFFAOYSA-N 418.519 1.497 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1358939206 SBBNSEYSPMVSDJ-GOSISDBHSA-N 413.522 1.956 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358963937 QFNGLRAZUNEJOM-IAGOWNOFSA-N 416.503 1.163 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNC(C)=O 1358968331 HWDBIMQURKLJQF-UHFFFAOYSA-N 406.490 1.746 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC 1358974614 LUQXQXLYANXYAT-JOCHJYFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1358992728 USHGJGYIGRCPPP-IBGZPJMESA-N 418.501 1.399 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccccc2)CC1 1359035140 LZQHJSHDABRXKN-RBUKOAKNSA-N 408.506 1.372 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOC(C)C)CC1 1359036519 YIPPPCCDXGJAEE-HXUWFJFHSA-N 411.506 1.971 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCC)CC1 1359043883 MRHRJUIMZOWTFE-UHFFFAOYSA-N 412.494 1.772 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359049432 PLKCALVLSNUHDJ-BEFAXECRSA-N 407.540 1.085 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359197519 RUNKTHSHTQTXPD-INIZCTEOSA-N 403.531 1.813 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359287767 UONFBOOQVGCELC-CPUCHLNUSA-N 400.435 1.337 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N2CCCCC2=O)CC1 1359298070 LOLLGTBFCZREQJ-UHFFFAOYSA-N 411.510 1.557 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCS(=O)CC1 1359298150 OYUNLXJEOGYNOI-UHFFFAOYSA-N 412.519 1.308 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359305806 NNUIDKKCOMYHDO-NRFANRHFSA-N 421.542 1.484 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC1 1359310316 SHZGNMDZNXAWNO-QGZVFWFLSA-N 418.519 1.630 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)NCc1ccccc1 1359465480 DCWPHEPEEKHQPB-INIZCTEOSA-N 411.510 1.719 30 10 HDEE CN(C)C(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Cl)c1 1439617273 TVUDXZDLYHJCRP-GTNSWQLSSA-N 410.883 1.444 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(C(=O)NCCCO)CC1 1445945350 UTDDSPBSBFGZSW-MRXNPFEDSA-N 410.515 1.311 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1448230894 VIGGYFRQJAIFLG-LSDHHAIUSA-N 403.545 1.763 30 10 HDEE C#C[C@@](C)(CC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1449784686 HMBCGUAGQFFTCH-IBGZPJMESA-N 410.492 1.775 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)cc1 1455836977 CFDDWNZEGPHQSD-SFHVURJKSA-N 418.446 1.251 30 10 HDEE CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1456227940 ZMRVKWFEONOBNX-JVPBZIDWSA-N 411.524 1.420 30 10 HDEE CCCC(=O)N1CSC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004444 VCZQUWBUPNXHLL-OAHLLOKOSA-N 405.476 1.592 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1460969523 XNUBYBNZKVAEFK-LZWOXQAQSA-N 401.410 1.526 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)c1 1463925625 OBDLBRPMKOFCSY-UHFFFAOYSA-N 404.430 1.380 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1467990834 FHMDEFNUKDVMAF-GFCCVEGCSA-N 405.314 1.756 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@H]1CC(=O)N(C)C1 1471913156 JPMMYWWZISZQNQ-ZBFHGGJFSA-N 420.535 1.269 30 10 HDEE C#CC1(O)CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1473672133 QHTZEFRDYIHKAB-KRWDZBQOSA-N 419.547 1.648 30 10 HDEE Cc1oc(NC(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c(C#N)c1C 1473798935 IBHOYYABBHNAPF-MRXNPFEDSA-N 405.480 1.302 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[S@@](=O)C(C)(C)C)CC1=O 1503680498 AANUFBOLFZSJTO-GDLZYMKVSA-N 414.535 1.642 30 10 HDEE COC1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1504469852 ISICBGRDWGSYFA-SOEBMCCKSA-N 409.556 1.981 30 10 HDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1505028185 AQLVSHHCRZGUFV-GOSISDBHSA-N 424.505 1.727 30 10 HDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC[C@H]2COCCO2)CCO1 1505326170 WJWPGFSVSATRSU-PMACEKPBSA-N 411.506 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507669146 HRGDIKCAQCIXAW-RBUKOAKNSA-N 423.492 1.728 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1507689633 KNDSUCDEVIWHPI-OAHLLOKOSA-N 404.515 1.946 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507698927 UXUFJFMWFUHKMC-INIZCTEOSA-N 414.441 1.444 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@@]1(O)CCN(C)C1 1507702571 KBDYAKISLYFMMG-OAQYLSRUSA-N 401.486 1.660 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@@](C)=O)CC1 1507707287 VMLLIXWKXWCTQK-GDLZYMKVSA-N 417.491 1.850 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1507721428 KANLKKMERBQHOE-UHFFFAOYSA-N 409.538 1.437 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)CC1 1507723802 VCMONJZTIYYIHJ-OAHLLOKOSA-N 413.551 1.613 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C)C1 1507753331 LTFUCENIEODWPE-CQSZACIVSA-N 405.549 1.861 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1507784755 LTRJMUIDHXAHJU-LBPRGKRZSA-N 407.334 1.562 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1507842697 CLIANDLBHMVAPJ-DLBZAZTESA-N 418.542 1.707 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)C1 1508122052 HPMCGCPMMMLZNI-QINHECLXSA-N 417.535 1.980 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508131199 YVKWNPULWWNMNQ-FGTMMUONSA-N 419.526 1.406 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508168280 CNQBKCPAOJXSMD-JYJNAYRXSA-N 423.539 1.562 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1517271861 HVHUVOXXZMLSPR-UHFFFAOYSA-N 400.450 1.462 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1 1517328953 CPJAVHMGDHDCNU-OAHLLOKOSA-N 418.523 1.229 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC2(O)CCOCC2)cc1 1521082457 HCYYNPWXQNJIQP-QGZVFWFLSA-N 410.478 1.060 30 10 HDEE Cc1ccc(C(=O)Nc2cccc(CC#N)n2)cc1S(=O)(=O)N1CCOCC1 1536301513 TYIHEQZVMROBBS-UHFFFAOYSA-N 400.460 1.729 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(C(=O)OC)c(C)n2C)ccc1F 1536433408 UIVDHOIPICEOFI-UHFFFAOYSA-N 423.466 1.654 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1539085177 HTDBSKSBKBLGHD-ROUUACIJSA-N 418.542 1.657 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nccc(C(F)F)n1 1539395253 BBSAWLZZRWQUBT-UHFFFAOYSA-N 407.425 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1539469217 OUWPCBXKJBULCP-CQSZACIVSA-N 404.515 1.466 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCOC2)CC1 1539481864 PBYMBGCTCAZXLA-MJGOQNOKSA-N 415.538 1.565 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1540013007 HIKDGVYACNOSGN-AWEZNQCLSA-N 402.524 1.951 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1540878542 ZWYSHZOZZYIMNL-INIZCTEOSA-N 421.505 1.959 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2COCCO2)CCOC1 1541721472 XSVHENLFERXCJS-WIYYLYMNSA-N 419.526 1.864 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1 1544463457 XZUVFAFBJDHSHV-QMWCZEAPSA-N 406.508 1.159 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1545878145 YIYKOSCLOJXRPE-RBUKOAKNSA-N 405.478 1.117 30 10 HDEE CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1547359448 FDKANVWTCVZIPM-CQSZACIVSA-N 415.479 1.205 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(I)cc1N)C(=O)OC 1556375456 JNFKELKJQKLMDI-GFCCVEGCSA-N 404.204 1.347 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)NC(C)C)c1cc[nH]n1 1556510511 NANVDFJLVJOALP-AWEZNQCLSA-N 423.470 1.209 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc3ccc(Br)cc3o2)C1=O 1557259233 KTIUZSYPBGQNKD-UHFFFAOYSA-N 421.207 1.183 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1558199103 HCCUZQWDWXWTFB-ISLYRVAYSA-N 418.494 1.762 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 1558423830 ZWNLRLWWIXHDKG-UHFFFAOYSA-N 402.454 1.705 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2c([N+](=O)[O-])cnc3c(Cl)cccc23)CC1 1559266126 PNBDXYNHXFBSOD-UHFFFAOYSA-N 409.855 1.386 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(Cn1cccn1)C(N)=O 1560214510 OJFGXBMCTPQJIU-KUHUBIRLSA-N 400.508 1.607 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1562047549 XNNZKJFGIUPFAQ-UHFFFAOYSA-N 407.492 1.090 30 10 HDEE C#C[C@H]1CCCCN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1562523316 GZFJVZMETXFPHQ-INIZCTEOSA-N 420.535 1.793 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(C)C 1564790766 MTMYNUKBURMLNB-RLLQIKCJSA-N 419.522 1.608 30 10 HDEE N#Cc1c(CCCNC(=O)NCc2cnc3n2CCOC3)nn(-c2ccccc2)c1N 1565454507 GLHCAADOPWAGBA-UHFFFAOYSA-N 420.477 1.485 30 10 HDEE C=CCCn1cc(C(=O)N2CCCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)nn1 1567308389 LZKIDXWSLAJMQB-UHFFFAOYSA-N 410.438 1.991 30 10 HDEE C#C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C1CCOCC1 1586730009 JQMROHVXHCTVSG-CQSZACIVSA-N 405.501 1.456 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1587922235 WOKCYYIZPCTAOH-HXUWFJFHSA-N 407.515 1.867 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588053699 HIOLVLMEUPKEIR-MSOLQXFVSA-N 422.551 1.573 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588059585 QMYFELKYOOLJHM-SFHVURJKSA-N 420.510 1.671 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC1CC1 1588185120 BQYWKCHLAVLYET-QFIPXVFZSA-N 413.522 1.308 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C1CC1 1588628764 OPHPZRPRMNGUAX-OAHLLOKOSA-N 414.510 1.575 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CC1 1589151040 QBSCKULSYYCUCE-MAUKXSAKSA-N 409.556 1.697 30 10 HDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589366340 CENBMPBMQGQJKM-GFCCVEGCSA-N 406.288 1.738 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1593682821 DJICCSIZSMJVII-WIYYLYMNSA-N 405.543 1.807 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593746752 MCOTZTKTFQIATM-UHFFFAOYSA-N 413.588 1.930 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1593757607 JXKJKIHLIUUVPK-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1595562122 NVQFDBUVMQFGQT-HNNXBMFYSA-N 422.489 1.652 30 10 HDEE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1597567837 YQCSSWWOZGJZNY-HNENSFHCSA-N 421.837 1.464 30 10 HDEE NC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1S/C(=N\c1ccccc1)N2Cc1cccs1 1616175306 UMDAHPJYDRFKHO-SDMXYVIXSA-N 403.529 1.949 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 1616994202 WTLAFQBPNCGTMN-OALUTQOASA-N 406.571 1.920 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@H]1C 1620111243 OBNPLHVICLKSKA-XDNAFOTISA-N 404.515 1.215 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(O)(COCCO)CC2)c1 1620594515 SROLQQRWSBIVOL-LJQANCHMSA-N 403.523 1.774 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)/C=C\CN3CCOCC3)c(C#N)c2N)cc1 1621094074 PROTVHYMOUEUCI-HYXAFXHYSA-N 408.506 1.572 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC 1622466946 MEFOELCGWBKMJZ-UHFFFAOYSA-N 404.535 1.196 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncnc4sccc34)CC2)cc1 1624062693 YJXIEENDIWMFGG-UHFFFAOYSA-N 413.484 1.710 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1625394372 HAWZZKGPAQXMRN-XIRDDKMYSA-N 416.499 1.932 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c1 1626149862 JKIUFTFSDWUQBY-ZIAGYGMSSA-N 402.394 1.288 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N(C)Cc1cc(C#N)cs1 1626912269 OWCQQTDPPWACQN-UHFFFAOYSA-N 401.492 1.852 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2 1627264866 ISSKYBJVTVZCOJ-BKBKCADHSA-N 408.502 1.931 30 10 HDEE CN(C)CCN(Cc1ccccn1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1627486484 ROTSGYCFHMDCIL-UHFFFAOYSA-N 404.467 1.722 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(OC)cc1OC)c1cc[nH]n1 1628435632 KRJLGSRGJQYHNL-UHFFFAOYSA-N 404.423 1.369 30 10 HDEE C[C@H](CC(=O)N1C[C@H](O)C[C@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1629731501 HQDYBGBXDMXXBH-KYJSFNMBSA-N 413.499 1.838 30 10 HDEE CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1632294368 MRIKLOFHEYLBED-DNVCBOLYSA-N 424.505 1.283 30 10 HDEE COc1ccc(CN(CCO)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1634107897 HPAKUUKFXRLZCT-WMZOPIPTSA-N 418.494 1.958 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634187509 AEIZBRZOMFHGPM-FUHWJXTLSA-N 412.494 1.499 30 10 HDEE COC(=O)[C@@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1638171173 CKEZDPLIVRTXQM-IERDGZPVSA-N 417.462 1.433 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1638678842 UFKGSYZIGMFXFP-UHFFFAOYSA-N 403.548 1.610 30 10 HDEE C[C@@H]1NC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)=NN(c2ccccc2)C1=O 1638906299 OXLIFENVDNOMOQ-DOTOQJQBSA-N 417.473 1.695 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1641263194 JUSOYVAVWJXOBL-GOSISDBHSA-N 402.495 1.624 30 10 HDEE C#CC1(O)CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)CC1 1641976995 ZSHFTOQPSDOBHE-UHFFFAOYSA-N 415.534 2.000 30 10 HDEE CCCCNC(=O)CN1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1642905402 YLDPHWJOUBBPKO-UHFFFAOYSA-N 413.522 1.728 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1Br 1644876316 HOPPUSWNMKRXSG-LLVKDONJSA-N 423.292 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1645414397 YBWTUXQLGRYNMF-JYJNAYRXSA-N 408.495 1.836 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)CCOC1 1645846901 ATHWQZSVUFBJKW-QHCPKHFHSA-N 411.502 1.846 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(CC(=O)NC)CCCCC2)cc1 1646284030 ZMDSKQKQHWKOJR-UHFFFAOYSA-N 407.536 1.967 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(C)(N2CCC2)CC1 1648246072 QJXAKZGVMYJRIQ-XRTORIHISA-N 404.536 1.748 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1651842613 CYKFBWWJWMBZEB-UHFFFAOYSA-N 405.293 1.825 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OCC 1655359013 QREPCVHJMGQZHU-HNNXBMFYSA-N 413.448 1.436 30 10 HDEE C[C@@](CO)(Cc1ccc(Br)cc1)NCC(=O)N(CCC#N)CCC#N 1655736658 QSUREFQGWKKOLP-SFHVURJKSA-N 407.312 1.988 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)c1 1657284854 IKFDKLHBJMHMDG-HNNXBMFYSA-N 418.475 1.632 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1658716764 SCPNHPUVZRSQKK-QIESAVBPSA-N 416.503 1.557 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@H](CS(C)(=O)=O)C2)c1 1660393281 QUEGEXLYCLLFGO-HKUYNNGSSA-N 407.536 1.684 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC 1664950769 FDNVCKABCWKKER-QMMMGPOBSA-N 401.915 1.591 30 10 HDEE COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC(C)(C#N)C3)cc2)C1 1665426212 CDRIIJOEJZBWAD-CQSZACIVSA-N 420.491 1.638 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1 1665590409 OOUTXMAEPPPHLD-NVALYEJGSA-N 408.520 1.853 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)cc1 1665968423 BHKGECDJYWNMEM-CTYIDZIISA-N 401.510 1.190 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1 1669875272 NVFQHEHEVAFGCJ-UHFFFAOYSA-N 410.399 1.236 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)Nc3ccc(Br)c(C#N)n3)C2=O)n(C)n1 1672168734 GSSWPFUKWGZUBK-LLVKDONJSA-N 418.255 1.685 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1680390504 XYZQVYBRSGFJSW-NSHDSACASA-N 401.414 1.940 30 10 HDEE C#C[C@H](NC(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C1CCOCC1 1683404992 QBSBOBOLOXOLAJ-WMZOPIPTSA-N 405.470 1.467 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)s1 1683451917 GHSMPFZKKNDHHW-UHFFFAOYSA-N 415.500 1.596 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)NCC#C[C@H]3CCCCO3)CC(=O)N2C(C)(C)C)cn1 1683992698 OWGQXUDEIAYUFK-POAQFYNOSA-N 415.538 1.980 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1689929963 IEULVOZYBXHIMY-HLIPFELVSA-N 422.551 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CC)CC1 1690139365 JVJXLOFBLMWUQD-QHCPKHFHSA-N 420.517 1.944 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690170988 UADQLYQSRQEDAZ-IAGOWNOFSA-N 402.568 1.660 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1 1690237142 VZOJEUTYVWYLQF-QZTJIDSGSA-N 416.526 1.164 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690481968 VCABEXHDNXWMPG-INIZCTEOSA-N 403.531 1.779 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1690659027 HTHBSANJFWBZJH-HNNXBMFYSA-N 401.490 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)CC[C@H]1C 1690729006 CVQPKUDERNIJGU-JKSUJKDBSA-N 409.556 1.626 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)NCCc1ccccc1 1705500324 KZIKNZYYDIDYHY-KRWDZBQOSA-N 408.506 1.217 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705539974 JDQDPMRMTUOVGZ-KRWDZBQOSA-N 414.510 1.461 30 10 HDEE C#CCN(c1nnc(C)n1CCOCC(F)(F)C(F)F)[C@@H]1CCS(=O)(=O)C1 1705561577 RLQAIERHBPTJGX-GFCCVEGCSA-N 412.409 1.130 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705569306 BDYPJKMYNSXUMH-QGZVFWFLSA-N 418.494 1.160 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705751252 FIELGNKKLMULMA-INIZCTEOSA-N 404.902 1.864 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705843693 LSWDWQQPSBWRMP-GJYPPUQNSA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1705900640 KSDZNWOYSHGHBT-QGZVFWFLSA-N 423.477 1.816 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1706743896 GSAADYBJNXLASJ-DNVCBOLYSA-N 405.572 1.690 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1712287714 KMGMXYPMZPRDQI-MSOLQXFVSA-N 424.505 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1722297260 YSAHDWNYFBXPGN-XHSDSOJGSA-N 408.524 1.181 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2ccn(C)n2)c1 1722305465 AOWZBNQQFKYBQC-LJQANCHMSA-N 419.489 1.968 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722366307 HMNROGXBVGKURF-KRWDZBQOSA-N 400.504 1.731 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722434206 MXCQBKLTYGMQHP-SFHVURJKSA-N 424.530 1.007 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1722475005 RKUVVQFJFJGROT-PFRQMTDMSA-N 421.567 1.820 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](COC)C1 1722726391 DOMICGJHXJYRGC-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H]1C 1722737125 UBSPJIGSURKHDY-YVSFHVDLSA-N 412.556 1.838 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722936415 VQCPJAFEHNDAIX-NIQRWSHPSA-N 415.473 1.835 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)cc1 1724410718 IDTOFXBPNHMTLD-HNNXBMFYSA-N 406.512 1.311 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(C#N)cc1 1729343195 ALUJATQMHQTWOF-UHFFFAOYSA-N 400.468 1.185 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1729641301 UOWHXWPFXPYPGR-VQIMIIECSA-N 424.505 1.892 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729724809 YMJFNVNVLGHFAQ-IKGGRYGDSA-N 407.478 1.109 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1731184832 VTTVCXWZFKUPOQ-SFHVURJKSA-N 415.519 1.581 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C(C)(C)C)no1 1740684300 MMXNNEUQCXPXDX-HNNXBMFYSA-N 400.483 1.649 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ncn(C)n1 1740687916 NZOIBVAXAOERIL-NVXWUHKLSA-N 401.515 1.460 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](F)COC)CC1 1740704488 OWOPKVLGVOUPDC-QGZVFWFLSA-N 400.458 1.290 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(C)=O)C1 1740723464 QGLDRVFQUUWRKM-BZSNNMDCSA-N 421.567 1.473 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](COC)C1 1740763522 MBFYJTZHRWRQEO-UWVAXJGDSA-N 403.527 1.854 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)C1 1740982128 SZDKMHUTLQNNPP-QGZVFWFLSA-N 422.493 1.198 30 10 HDEE C[C@@](O)(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1741949974 AGKCEFMOVHCAAV-PGRDOPGGSA-N 424.505 1.427 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1743355231 IWBJJZMJCRFBLF-HNNXBMFYSA-N 406.446 1.951 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1748670887 DGHRIEYDPGFRGX-ULQDDVLXSA-N 423.583 1.895 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748818994 IEXAHMIYQGRAIY-RDJZCZTQSA-N 419.576 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCC1 1748825569 ZTSGPYRWGVCXLY-UHFFFAOYSA-N 411.893 1.849 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(C)(C)O)CC1 1748984995 YUHABTRUBJXAOE-UHFFFAOYSA-N 411.506 1.633 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1749270060 ZWRUCOQHEXYNFC-LSDHHAIUSA-N 418.947 1.565 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749426778 HHOISWOMZKSKDU-XHSDSOJGSA-N 409.556 1.669 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1749447610 IVQOQLSHTCQSKN-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)c1 1750381163 KKFLLOCBTLZKCC-IEBWSBKVSA-N 424.505 1.572 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(C)[C@@H]1CC)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1759987568 TZRPWSZKTHPYLB-XNTOXWQXSA-N 401.551 1.737 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760187548 WTZIUTRSYSWDFW-ROUUACIJSA-N 421.611 1.978 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189417 UGXCTDHQPLCUTE-NUJGCVRESA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)CC 1760197471 XWXCYVCOINOKGS-HHHXNRCGSA-N 418.544 1.190 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC(=O)NC 1760313012 HOTWTJSXKLDOSE-WBVHZDCISA-N 404.515 1.068 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCS(C)(=O)=O)CC1 1760381362 JTXFSFHYLAKKPQ-UHFFFAOYSA-N 409.556 1.885 30 10 HDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760427796 IPFLQJFCMFVOOZ-SFHVURJKSA-N 416.570 1.929 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1760465445 HFCPXNNBVXRIRY-UHFFFAOYSA-N 407.400 1.817 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC)C1 1760544640 DFCXWSPUDNMCGT-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760549054 VLHWEWQRRWOQRX-QGZVFWFLSA-N 422.555 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1760550741 HSDWDRRLXBJPLX-UHFFFAOYSA-N 423.564 1.601 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1762690887 ICGMWHUUPRSVHJ-XJKSGUPXSA-N 416.432 1.908 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCN2CC)CCOC1 1767481158 BHHQMKLERIZHQG-FUHIMQAGSA-N 404.515 1.143 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CCO1 1767726792 SEMCQVGCBNPHAT-INIZCTEOSA-N 412.475 1.395 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1768016962 JGTPYTNWIBBIFV-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1769933178 GOPBOSGWBJCISB-UHFFFAOYSA-N 407.478 1.545 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)CCO1 1770746186 ABXLAUPRXJODRE-GFCCVEGCSA-N 402.377 1.169 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccc(N4C(=O)CCC4=O)cc3)CC2)CC1 1848897265 ZDFKSYVWWXWYEG-UHFFFAOYSA-N 422.485 1.954 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3CC(=O)c4ccccc43)c(C#N)cc2C#N)CC1 1851262394 QBSYCNVDBLCUMJ-SFHVURJKSA-N 400.442 1.885 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)NN1c1ccc(Cl)cn1 1851850887 IDVIRDBZBUEEAK-NEPJUHHUSA-N 401.858 1.550 30 10 HDEE CC(=O)Nc1cccc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852102083 PPMRWLGPVVYHNE-LJQANCHMSA-N 424.457 1.848 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c(Cl)c1 1852364495 XQSKNUPLKJDSRJ-UHFFFAOYSA-N 408.853 1.884 30 10 HDEE Cc1nn2c(C)c(C(=O)OCCN3CCN(C(=O)C(C)(C)C)CC3)cnc2c1C#N 1853358867 JHYWUMJQSVFURM-UHFFFAOYSA-N 412.494 1.565 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2ccc(OC)c(C)c2)C1=O 1853789233 CRRXAOOHZHCTGE-OALUTQOASA-N 413.518 1.782 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@@H]3CC(=O)N(C)C3)C3(CCCC3)C2=O)cc1C#N 1854294832 QNBLRYWRWSYGFP-QGZVFWFLSA-N 408.502 1.942 30 10 HDEE CCCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)cc1 1854722549 MZOQBPNHLMLITO-OAHLLOKOSA-N 407.492 1.321 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1856117647 FEZCUEZAVOCZOX-HNNXBMFYSA-N 400.504 1.855 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4cnccn4)C3)C2=O)cc1 1856454108 XDQHTTAPDMZIBC-IEBWSBKVSA-N 405.458 1.880 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1856537581 NFWWBQQZHHXGOM-GOSISDBHSA-N 403.504 1.127 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1856871708 BTUCNMWVWZMUEP-UYAOXDASSA-N 416.566 1.489 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc(OC)c2OC)C1)[C@H]1CCN(C)C1=O 1857262759 AWWCBENQPOYWOA-WBVHZDCISA-N 415.490 1.411 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)s1 1857510733 WKUFCHHIOUHHNL-CQSZACIVSA-N 400.504 1.582 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccccc2Br)cc1 1860733147 SDUDAHKIFSKPEV-JXMROGBWSA-N 423.288 1.995 30 10 HDEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccn(CC(C)C)c1=O 1861287248 RAJBASWNGMQWFG-SFHVURJKSA-N 420.554 1.955 30 10 HDEE CSCC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866586101 IKAFDFUJGCMJRE-HOCLYGCPSA-N 409.533 1.559 30 10 HDEE CSCC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866588623 SHRSGDZWZLFJCM-GDBMZVCRSA-N 409.533 1.559 30 10 HDEE N#Cc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 1870095337 FKPYISAJNWMZIY-UHFFFAOYSA-N 421.398 1.717 30 10 HDEE N#Cc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2)ccn1 1890664517 PXMSSFSVHSOMOX-UHFFFAOYSA-N 408.853 1.540 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cccnc3Cl)CC2)CC1 1891035520 BWMWVAWLYBDDOQ-UHFFFAOYSA-N 418.969 1.926 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)c1 1891754577 WDAYGVOBMDOOLR-UHFFFAOYSA-N 418.475 1.845 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1959428554 SFADSHRALUYICU-KBPBESRZSA-N 412.487 1.498 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895200 IFKGGCGXBGBGBW-WFASDCNBSA-N 421.303 1.593 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@H](O)C1 2174916856 BDFIJQYWDRPBHO-INIZCTEOSA-N 401.529 1.023 30 10 HDEE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2192573636 SJGPSSMUIFQHQG-XCCJYZISSA-N 420.557 1.478 30 10 HDEE C[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243370463 OSNIVAIMPATROE-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2243406346 XCICBNMJYLMWBY-UHFFFAOYSA-N 407.276 1.595 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247825393 CVXOTVGKXYBGFS-CQSZACIVSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825805 JMXYQIWEQXWAND-ZIAGYGMSSA-N 420.319 1.885 30 10 HDEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247858001 KIDJOWYTQDVGRE-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912933 NVAOOXJJQAVRER-STQMWFEESA-N 420.319 1.362 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247917109 IETZRJICKGBZFY-QWHCGFSZSA-N 420.319 1.423 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)n1 2255655838 RSTZSTPXHCZODV-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)O4)cc2Cl)OC1(C)C 2267352894 IINMCZLUNSBTBT-AOOOYVTPSA-N 405.734 1.863 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4COC[C@H]43)cc2Cl)OC1(C)C 2267353172 JQZOBBMMQDXKCQ-GXSJLCMTSA-N 405.734 1.720 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469546 XHHLNCOQJAATEI-HNNXBMFYSA-N 407.388 1.440 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270522403 UBHGEZZUNJZGRK-MSOLQXFVSA-N 422.503 1.423 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)S(N)(=O)=O 2281814153 IYQLHAWLKXFMMI-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2282322483 MRDWNLUAUGFDJP-VWLOTQADSA-N 401.359 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)CC1(C)C 2282328347 WDUHAPCUMRWOIV-LBPRGKRZSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@](C)(=O)[C@H]2CCNC2)OC1(C)C 2282331067 JBJCWAKJRLMLRC-JPQMIFPKSA-N 420.387 1.196 30 10 HDEE CC(C)N1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282331680 QPHKJJKVVURMOE-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCN)CC(F)(F)F)OC1(C)C 2282333429 OJFZTEGXFXVDCY-UHFFFAOYSA-N 414.280 1.559 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@@](C)=O 2282333472 PCRMUWXGTSDVCI-YMXBGEKHSA-N 401.359 1.421 30 10 HDEE C[C@@H]1SCCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334622 DTLFNOXFKGZXRY-WCQYABFASA-N 401.363 1.282 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@]1(C)O 2282335601 ROMPRIXMPBJSAZ-PXAZEXFGSA-N 401.359 1.829 30 10 HDEE CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420334 XOUDDFALOFLUBU-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCC[C@@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282494657 AQGKYGWJZKQMKK-ZIAGYGMSSA-N 407.363 1.449 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282497366 OTOZTVQOPJKFOH-AWEZNQCLSA-N 402.391 1.912 30 10 HDEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C1=CCS(=O)(=O)CC1 2282782629 COFYEZISGGSQAA-BEFAXECRSA-N 401.525 1.945 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834161 QBPPDFADAKJZPO-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848222 KUQMYYHILTVFOV-OLZOCXBDSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC[C@H]3CO)s2)OC1(C)C 2282850711 SCQDECLQAGEDCY-STQMWFEESA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCNCC2)OC1(C)C 2282855360 COVRTALWUAVDQT-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CN([C@H]1CCC[C@H]1CN)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855471 FICPMKBTTBBLKF-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NCc3ncc(Cl)s3)c2)OC1(C)C 2282861061 JVMPKEFRFKRGHP-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCN 2282882161 HRQDAVNGFDNWBD-STQMWFEESA-N 400.375 1.653 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1CN 2282883311 YPGWNLOLCIZRQV-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2283071333 CZDJMJVQDHIALO-CQSZACIVSA-N 403.288 1.391 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](C(=O)O)C(F)(F)F)OC1(C)C 2284402943 MUDGEQQJKLTRMH-QMMMGPOBSA-N 415.220 1.341 30 10 HDEE CC1(C)[C@H](C(=O)O)[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284407374 KXWXZYSVOFYEDV-NWDGAFQWSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(P(C)(C)=O)C2)OC1(C)C 2286184220 PRQOWEVGMQMPDJ-UHFFFAOYSA-N 420.302 1.579 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)CC2(C)COC2)s1 2287054864 QKTNVBCZYRMRJI-UHFFFAOYSA-N 401.359 1.812 30 10 HDEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)C[C@@H](C#N)C(C)C)C1 2289501984 VZQDDNJLQMWRJU-OAGGEKHMSA-N 403.545 1.974 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2300283333 ZJMCVXGKMUZWQI-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cn1cnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2315653238 IKJSAGQAJSQYJN-NWDGAFQWSA-N 413.320 1.627 30 10 HDEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)C=Cc1ccco1)N1C(=O)c2ccccc2C1=O 2328155825 JJOSQJHQDCQUEB-CCKFTAQKSA-N 421.453 1.641 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccn2C)o1 2330752652 LAGWQDOMPRYPQZ-UHFFFAOYSA-N 416.463 1.807 30 10 HDEE Cn1nc(Br)c(Br)c1CNC(=O)C1(C#N)CCOCC1 2364430319 SSLSJEGSANAJLM-UHFFFAOYSA-N 406.078 1.882 30 10 HDEE CC[C@@H]1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365170032 GGZGYQKAFYSXSF-AUUYWEPGSA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CC1 2367789781 UIMOPFBQGZPPBR-INIZCTEOSA-N 400.541 1.307 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C 2367792241 MSSFQGPOFYOEJO-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367816334 HMLUBOZNDIQSFM-RLFYNMQTSA-N 400.541 1.292 30 10 HDEE Cc1cccc([C@@H](C#CC2(S(C)(=O)=O)CC2)NN)c1I 2367846569 WIKHYLAZRZMDTD-GFCCVEGCSA-N 404.273 1.685 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)c2cccnn2)OC1(C)C 2369960901 QZBOOPLAJSVIIH-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2372396934 OJHHQYKSNZMSGA-QCUYGVNKSA-N 400.541 1.291 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Oc3ccccc3)n[nH]2)cn1 59887533 LUNXLKPVCJXLIH-GIJQJNRQSA-N 401.452 1.791 30 10 HDEE CC/C(C)=N/Nc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 59889244 UUHQFSLFTJVRDV-XDHOZWIPSA-N 421.531 1.521 30 10 HDEE N#C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1Br 97999151 OLDXNVXDHQQLSA-SECBINFHSA-N 409.103 1.698 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N(CC)CC)CC2)c1 109468550 BDRXLJMBTMWMQZ-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 137723895 HOYYRILTTRZHTJ-TXNHZKHASA-N 400.471 1.904 30 10 HDEE COc1ccc(-n2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)cc1 195550195 TVYKBJQNVQKHBL-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1 219944773 ORISFEQZCQPRNE-PBHICJAKSA-N 407.430 1.390 30 10 HDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 429253850 CMRQINOIINMWNZ-GOSISDBHSA-N 415.471 1.159 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 447672223 XZOJPGJNKKDSBA-UHFFFAOYSA-N 415.519 1.682 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)c1C#N 460277160 QMBVUNLVWNFMQA-KRWDZBQOSA-N 410.503 1.960 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1C 460754617 BPDLUUKGMMNRDZ-UHFFFAOYSA-N 400.420 1.455 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2C(=O)c3ccccc3C2=O)cn1 462078907 BNDHGUQBDPCHJJ-UHFFFAOYSA-N 401.386 1.557 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCn4c(CO)nnc4C3)c2C#N)C1 471028900 NTAGMENWVURREY-LBPRGKRZSA-N 400.508 1.673 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@@H](C#N)c3ccccc3)CC2)C1 471148569 NSQMPEDXSVKOOV-YADHBBJMSA-N 413.566 1.342 30 10 HDEE CCn1nccc1CN(CCO)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 474659477 KGKFKSUAIIBXME-IBGZPJMESA-N 410.478 1.474 30 10 HDEE CC[C@@H](c1nnc(Sc2cnc(C#N)cn2)n1CCN1CCOCC1)N(C)C 475442915 JCASEMWGUYPVAX-HNNXBMFYSA-N 402.528 1.436 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)NC)c2ccccc2)c1 481562749 DGPQVHAGGWXYRD-SFHVURJKSA-N 401.488 1.758 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCc3nc(-c4ccncc4)no3)C2=O)cc1 485993013 IVTDMIOEPUPKTN-GOSISDBHSA-N 416.441 1.853 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)CCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N 489101533 DGFVORIDSBUFNC-UHFFFAOYSA-N 423.516 1.755 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C(=O)C12CCCCC2 510098526 HYOBLTONPSNCLX-LJQANCHMSA-N 423.517 1.820 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 519096688 UXHIVLQBWOKGGW-SFHVURJKSA-N 416.478 1.290 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccn(Cc3ccccc3)n2)c1 519490199 RIMXNLDPTDHQGO-UHFFFAOYSA-N 409.471 1.398 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(OC)c(C#N)c2)CC1 532745063 ZAPVQTJVPXATGA-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE CS(=O)(=O)c1ccc(-c2nc(CN(CCC#N)CCN3CCOCC3)co2)cc1 534135636 RRKKONZYGXKPOG-UHFFFAOYSA-N 418.519 1.793 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 538495728 YERWRVGHHCVIFU-UHFFFAOYSA-N 400.504 1.060 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544864840 HUFHBGCUVBMXPN-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)n1 546919892 ZCKSQZVELLHZQG-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE Cc1c(NC(=O)C(=O)N(C)CC(C)(C)C#N)nnn1CCOc1ccc(F)cc1 551845949 HRCWQZNJMHLSDB-UHFFFAOYSA-N 402.430 1.751 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)CC1 578402563 AELBHFJWZIGUEE-UHFFFAOYSA-N 403.556 1.956 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 579208908 BYDNAZURHXEDMI-HXUWFJFHSA-N 405.466 1.213 30 10 HDEE N#Cc1cc2c(nc1N1CCN(CCn3nc4c(cc3=O)CCCC4)CC1)CCC2 585586496 PJWDKQDQOXPCMV-UHFFFAOYSA-N 404.518 1.700 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 587640418 JXJVLBJFMGHNCO-UHFFFAOYSA-N 412.538 1.276 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1NS(C)(=O)=O 611360581 APIUCWCAOSDDTL-UHFFFAOYSA-N 404.423 1.632 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccc(CC(=O)O)cc2)c1 681572746 YBGPMGHVTJICFL-UHFFFAOYSA-N 402.472 1.751 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 729334760 CJVJMMKLQGOOGT-MRXNPFEDSA-N 408.501 1.027 30 10 HDEE COc1ccc(CNC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1C#N 747389589 HWQNJLXVOTWZRE-FQEVSTJZSA-N 407.474 1.621 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 750678912 SJISPPNDILMLPE-MRXNPFEDSA-N 407.517 1.596 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1 751655265 CXYCZKDZNOYYKI-DOTOQJQBSA-N 404.536 1.783 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 751724814 QASIOXZMPYUNQS-UHFFFAOYSA-N 408.458 1.333 30 10 HDEE C[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 752612533 CLOBFTZNFFHDEO-DJJJIMSYSA-N 407.492 1.392 30 10 HDEE CC(C)CN(C(=O)CON=C1CCN(C(=O)C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 756863445 UDQABVVDKCBFEY-QGZVFWFLSA-N 415.556 1.309 30 10 HDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)NCCNc3ccc(C#N)cn3)ccc21 759358457 BYSGQEBYOLTLHH-UHFFFAOYSA-N 406.446 1.419 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760774883 GCTSQAYPJGDYEU-INIZCTEOSA-N 401.467 1.238 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H]1CCS(=O)(=O)C1 774149231 VGVNZSAARGNJKZ-LPHOPBHVSA-N 406.504 1.987 30 10 HDEE C#CCN(C(=O)NCCCC(=O)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 774214063 SPHIQUPAXGVNGJ-KRWDZBQOSA-N 403.504 1.188 30 10 HDEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2cnn(CC3CC3)c2)c(OC)c1 781724338 VKNWOZJZOHUSTC-UHFFFAOYSA-N 405.476 1.914 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CC[C@@H](OC)C(F)(F)F)cn1 786686978 FDQWFPHQQLVUCY-VXGBXAGGSA-N 421.445 1.938 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)cc1C 787621371 KGRXKDUIQWGHLA-HNNXBMFYSA-N 407.492 1.418 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)cc(C)n1 789968898 SIFIBNZQQVIMEM-ZDUSSCGKSA-N 401.496 1.875 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CCc3sccc3C2)n1 790105844 DIIMELXDKMPHPS-UHFFFAOYSA-N 414.531 1.918 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC#Cc2ccccc2)[C@@H](C)O)cc1C 791243885 XMNFFQJKZZSKRN-YLJYHZDGSA-N 401.484 1.926 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)c1 799261146 OUDXNHPXNJKWLY-UHFFFAOYSA-N 404.426 1.440 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)N3CCOC[C@H]3C3CC3)C2)c(F)c1 805590746 YSSJRNKRHPRALX-LPHOPBHVSA-N 401.438 1.704 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)CCNC(=O)OC(C)(C)C)cc1C#N 806516620 MYGOHWQGMPDKSB-ZDUSSCGKSA-N 404.467 1.603 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 807468546 XBFMMPQSTKJHJC-GOSISDBHSA-N 403.490 1.830 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 807511231 IHPZQEMMERRDBR-HOTGVXAUSA-N 417.514 1.971 30 10 HDEE C#CC[C@]1(C(=O)OCCn2nc3ccccn3c2=O)CCCN1C(=O)OC(C)(C)C 808596863 WJEAPUQVIUSVNQ-OAQYLSRUSA-N 414.462 1.832 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC)[C@@H]1CCS(=O)(=O)C1 812031551 ZJAFHPKKCOXOTB-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 812079299 JJAITBFDAJZOMD-QGZVFWFLSA-N 408.466 1.808 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 914680268 WNQZEVLMFHNWMQ-HUUCEWRRSA-N 403.435 1.558 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 918642997 HLDMRHUZRPPJHE-HIFRSBDPSA-N 407.492 1.161 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCC(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1116829337 KAJZSEQTWKXSKX-ZDUSSCGKSA-N 405.398 1.355 30 10 HDEE CC(=O)N[C@@](C)(C(=O)N[C@H](CC#N)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 1134050344 GWPHJXMVXWRGRE-UKRRQHHQSA-N 405.398 1.402 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(C)(=O)=O)CC1 1136148602 CISPMEAUIHFICG-ZDUSSCGKSA-N 409.936 1.563 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCCOC1 1138143318 HVJDRDXNDGQIFT-BLLLJJGKSA-N 412.439 1.211 30 10 HDEE C#CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cn1 1139861228 RFLBEZPUDQUCMV-QHCPKHFHSA-N 415.453 1.753 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CCCN(C(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1143763146 XALUPOHZJMILJN-ZDUSSCGKSA-N 405.417 1.774 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1146221298 PABSEGUWUCTHJB-ZWKOTPCHSA-N 415.490 1.630 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC[S@](=O)CC(F)(F)F)ccc2c1=O 1147098539 XQRXJCJSTIUPNU-MHZLTWQESA-N 419.450 1.912 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccccc3OC)C2)cc1 1151657301 ODDJZLZCAGTVIF-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE Cc1nc(CC(F)(F)F)sc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159490114 LEHHVMQCDAHRLN-UHFFFAOYSA-N 413.381 1.316 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1180248976 SCZNOXIRPNJIFF-NVXWUHKLSA-N 401.406 1.612 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F 1185674999 LPLBIONBPQYOCK-LLVKDONJSA-N 423.871 1.077 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1190671149 IIDCRTRBOFRSCP-UHFFFAOYSA-N 400.258 1.591 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1194336931 RURUIOWVTHOOHE-LSDHHAIUSA-N 422.407 1.659 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN([C@]4(C(=O)OC)CCOC4)CC3)cc21 1209774559 ORYXPNHSVFJGLA-OAQYLSRUSA-N 413.478 1.704 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1212123417 LUCSBRXLNJLIOG-IRXDYDNUSA-N 408.476 1.129 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(OCCN(C)CCOC)c2)CC1 1226386740 MBCQXSAIPYUQGP-UHFFFAOYSA-N 403.523 1.703 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1286288573 HYQOHMIIJWOAER-CQSZACIVSA-N 407.478 1.128 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@](C)=O)CC1 1286364879 NAKZUBOQBRGSPU-LJAQVGFWSA-N 418.519 1.951 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286396922 XGHJXFMLZRTIAU-GQIGUUNPSA-N 424.567 1.033 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1COCCO1 1286422316 KSPLGKGSHNZJPD-KNQAVFIVSA-N 416.522 1.587 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)on2)CC1 1286485449 MCPRRRXSCZYXNP-WMZOPIPTSA-N 400.483 1.102 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(=C)Br)CC1 1286493109 LKRDLKDLTNSSNE-OAHLLOKOSA-N 422.327 1.656 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(C(N)=O)CCOCC1 1286518097 BBOHCFPMUOCVCM-OXQOHEQNSA-N 419.526 1.276 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1286673499 XZJOWDZJRSUCSL-JKSUJKDBSA-N 424.571 1.809 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1286960591 HRKBSVMBZCCAEJ-ZOCZFRKYSA-N 418.542 1.829 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286968061 IUFUCMBVGWFOJX-OAFZBRQQSA-N 423.539 1.114 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)C1=O 1289333119 PYYQYNLPLBITBH-UHFFFAOYSA-N 424.501 1.577 30 10 HDEE CCc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1293182749 XZDWNGMZOPQGML-PVEMMZBWSA-N 418.408 1.887 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3=CS(=O)(=O)CCC3)c(C#N)c2N)cc1 1294271926 KXDNABAVRKJSFS-UHFFFAOYSA-N 413.503 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1300296042 QEMWZXYXVYAHIO-XYJFISCASA-N 416.551 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1300298666 GEVIYENRKZXBCX-CQSZACIVSA-N 417.539 1.222 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300502482 VPYXENRIRFCHON-DOTOQJQBSA-N 421.567 1.162 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300504348 MKXHWDIBDGIRBF-QZTJIDSGSA-N 424.567 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCC(F)F 1300511553 LPSGRYZALXLTEF-UHFFFAOYSA-N 423.427 1.789 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1300637787 LAPALQANCHHANN-UHFFFAOYSA-N 404.478 1.950 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2)CC1 1300722882 MZOAYQYOEIXRNA-SFHVURJKSA-N 406.490 1.243 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1301037256 RPZOKTZFFRBELI-HOTGVXAUSA-N 410.950 1.919 30 10 HDEE C=CCCCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1301175152 ZPEUOBKIQHLWFP-UHFFFAOYSA-N 418.542 1.265 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@]2(C)C(=O)OCC)s1 1301419568 GFXSNLWSLOUHBX-KDOFPFPSSA-N 414.549 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1301490623 WSWCXLVVRMAGER-QGZVFWFLSA-N 410.478 1.451 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1301497382 VEBIMSNPPKRLEF-BBRMVZONSA-N 416.482 1.169 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1302052326 MIIFRBVFEXZPJY-AUUYWEPGSA-N 402.503 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc([C@H](C)O)cc1 1302095627 FNHRWXSVORYUCB-FRQCXROJSA-N 415.494 1.832 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1302969116 CQDQOFGQOKTSAQ-SFHVURJKSA-N 417.535 1.820 30 10 HDEE CC1(C)CCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1303956742 FVUMXISBNFYHTO-PMACEKPBSA-N 404.490 1.897 30 10 HDEE CCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(F)cc1 1305590468 RDTRFIZUXRQQNT-UHFFFAOYSA-N 408.393 1.405 30 10 HDEE C#CC[C@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1312733391 JFVKRTFWBZKSCV-MAUKXSAKSA-N 407.536 1.299 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)C(C)C 1312809106 ZERXSMZMYRGZEF-TWMKSMIVSA-N 420.510 1.868 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1314135802 AQLKQWGMAONYGL-OXJNMPFZSA-N 405.499 1.354 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1315823238 XCZACUSGQIKRGE-DLBZAZTESA-N 415.473 1.360 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)c2C1 1321094064 UPEJCENQTUWBMW-CQSZACIVSA-N 404.434 1.286 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1323730090 RBRBVHTXOIMKMH-MRXNPFEDSA-N 421.542 1.453 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1358913604 RYOCFAFFSVUVMA-ZWKOTPCHSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1358949141 UBSVNUIISOFBFZ-LUKYLMHMSA-N 407.540 1.117 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1358949142 UBSVNUIISOFBFZ-MWDXBVQZSA-N 407.540 1.117 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1Cc1nnc2n1CCC2 1358954017 RTFCYFHIFKTZQL-UHFFFAOYSA-N 407.478 1.911 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961922 HGFIRQUOIPOJPD-CABCVRRESA-N 405.524 1.046 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSc1ccccc1 1358969126 HMZMCVWVCFQHJD-MRXNPFEDSA-N 417.560 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1nnc2n1CCCCC2 1358984467 WTOCSUZWKWVMBA-UHFFFAOYSA-N 422.537 1.440 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCS(C)(=O)=O)CC1 1359037872 AUQXWDLNZPQCQV-UHFFFAOYSA-N 415.563 1.253 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2csc([C@@H](C)OC)n2)CC1 1359041439 WQKKTGQNLNNIRS-CYBMUJFWSA-N 402.524 1.765 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 1359300824 KQQVSKBSDOZFEM-AWEZNQCLSA-N 416.448 1.159 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359332780 HACDDTCTCLQDOT-VQIMIIECSA-N 412.556 1.462 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC2CCOCC2)n1Cc1ccc(C#N)o1 1360660615 FXZRXHAGDJQCNG-ZDUSSCGKSA-N 422.511 1.264 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1361266793 GAOFTMICSQWIMF-QWHCGFSZSA-N 410.525 1.035 30 10 HDEE Cn1ncc(C(=O)Nc2ncc3c(c2C#N)COCC3)c1I 1436895063 NLGZITURQLMQAK-UHFFFAOYSA-N 409.187 1.616 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 1440492610 AJHKXNXDEWDDCN-UHFFFAOYSA-N 405.407 1.314 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nc(O)n[nH]3)c2)s1 1449242031 PQRPVHUPAXOPMQ-UHFFFAOYSA-N 419.488 1.884 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)c1 1449564452 AQWBKDYXKIRAQD-UHFFFAOYSA-N 410.448 1.393 30 10 HDEE C[C@]1(C(F)F)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1453804565 HSLWSAAALBIPGM-IFXJQAMLSA-N 406.389 1.646 30 10 HDEE Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2ccsc2C#N)CC1 1464068233 GTECZJIVADHWCA-UHFFFAOYSA-N 422.580 1.506 30 10 HDEE N#CCn1cc(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)cn1 1464517753 AAJAQFBEMMYTQQ-UHFFFAOYSA-N 415.251 1.879 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C1CC1)C(=O)OCC 1471118325 MNQOQSAXJAWJDO-CYBMUJFWSA-N 406.826 1.636 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1475296029 DXNSFAGDTJAPMD-ZIAGYGMSSA-N 401.410 1.898 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OC 1475578958 MRXPCGPUOBTQOL-INIZCTEOSA-N 416.521 1.257 30 10 HDEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@H]1CCCO1 1476427867 KBJJUBATUJGVTH-HZPDHXFCSA-N 401.448 1.580 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)n1 1476617292 GTXUFNCZDNVAMV-UHFFFAOYSA-N 419.507 1.628 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2(C)CCCc3ccccc32)CC1 1478363374 CRNRKAPDFWXAPD-HXUWFJFHSA-N 404.536 1.075 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1507533503 NDOGJLWDNTXAKV-OAHLLOKOSA-N 421.505 1.659 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN(C(C)=O)C1 1507621203 OWWSXDACTAPLAU-GOSISDBHSA-N 405.506 1.845 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507621451 ANOXZSGQPZMFFR-WBVHZDCISA-N 407.584 1.685 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)OCCO2 1507665133 JYIGKUPSJHQKAU-UHFFFAOYSA-N 402.458 1.961 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1507684796 ITSBQQLEHAVECI-BTYIYWSLSA-N 400.479 1.962 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1507689988 UCXQWXJLLGMWJG-UHFFFAOYSA-N 414.535 1.836 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1 1507702011 DQWNDZOCQUIHGX-IAGOWNOFSA-N 412.494 1.563 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1cnnn1C 1507709520 VJIGTAOLYYCCHM-UHFFFAOYSA-N 402.462 1.756 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1507722089 YSVGPDSEMCVIFI-YWZLYKJASA-N 416.913 1.289 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1507971649 PHQRNSYZKANQEH-OAHLLOKOSA-N 402.886 1.762 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508042481 LIBHJWAQOYTKFR-HOCLYGCPSA-N 414.897 1.762 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)N(C)C 1512357365 BKZRDYXHUFDXJK-HNAYVOBHSA-N 407.522 1.824 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1518745269 DRKMINNYWOTCJS-OKZBNKHCSA-N 412.469 1.858 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CC1 1519411418 YZCJBYJWWAYUDU-KKUMJFAQSA-N 411.528 1.175 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCOCC2CCOCC2)CCO1 1521130264 UEFXAEMKJVSIQR-ZWKOTPCHSA-N 405.499 1.344 30 10 HDEE C#Cc1ccc([C@@H](OC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)C(F)(F)F)cc1 1525856742 ZAWFQPQOIRZOST-OAHLLOKOSA-N 413.377 1.959 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)nn1 1529264471 AMWKDAGRTFCPEP-MRXNPFEDSA-N 413.478 1.189 30 10 HDEE C#Cc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nc1 1537529965 WADDAQAWDMWMCO-HNNXBMFYSA-N 407.492 1.217 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1539017349 ZXKLGNMQUIWIGV-KXBFYZLASA-N 423.477 1.423 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCc2sccc2C1 1539026034 QGVMNYIQQZTIFW-MRXNPFEDSA-N 412.563 1.978 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1539149239 RDDVODBJHHVLFR-OLZOCXBDSA-N 422.580 1.587 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1539246189 PUUVQOITRSYFBQ-ZHRRBRCNSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1539312101 IMRRRBRNLAELBU-UHFFFAOYSA-N 422.581 1.415 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1539318003 KSWUQNGQTADHRN-HXUWFJFHSA-N 403.486 1.813 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC)c2)CC1 1539446394 XXYLNQJPWLJZQI-IBGZPJMESA-N 408.506 1.431 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2csc([C@@H](C)OC)n2)CC1 1539462423 GXDQZIDZDFWWAQ-OAHLLOKOSA-N 404.540 1.782 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540036225 KZXMQQYBCFXSCN-XUVXKRRUSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC(C)C 1540070937 BONIBCDXHUSNNN-HNNXBMFYSA-N 401.533 1.048 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1540948159 DWZDXKXEDXSSFQ-IBGZPJMESA-N 421.505 1.387 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccc[nH]3)n2CCOCCS(C)(=O)=O)CC1 1541992878 XTOIKPMJDHOOCM-UHFFFAOYSA-N 406.512 1.464 30 10 HDEE Cc1nc(C)c(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)s1 1542888069 GWJKOEXFTTXCIF-AWEZNQCLSA-N 401.496 1.251 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)n1 1543066622 GTABSUWZBRHMNB-QGZVFWFLSA-N 400.531 1.456 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)n2)c(Cl)c1 1546092403 YHVDHDANRNCSOQ-CZUORRHYSA-N 409.837 1.766 30 10 HDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)C1CC1 1547598824 XWZZCBIYBIHQRI-JQHSSLGASA-N 404.515 1.215 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1547631712 CGWCMSMWXDJCNC-OAHLLOKOSA-N 408.466 1.614 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1547887812 BXTPUJXOKQXQBX-WAOWUJCRSA-N 419.526 1.600 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCSC1 1548138564 UQUYRMCJWZKORU-LJQANCHMSA-N 416.507 1.218 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1555011058 ABUXNIGYMWFLNJ-VQIMIIECSA-N 401.492 1.550 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@]23CCCC[C@]2(COC3)C1 1557667894 ROSTZMPKSHKDOC-YSGRDPCXSA-N 403.504 1.644 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(NN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 1557989637 ZVBYVOLQJWILOG-IAGOWNOFSA-N 410.430 1.494 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cn(CCCC#N)c2ccccc12 1558410342 VVWQNQQPHAUJOW-UHFFFAOYSA-N 410.521 1.732 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(N[C@H]2CCOC2)C1 1558548395 BOOFVEHDGYJRSU-ZDUSSCGKSA-N 424.295 1.688 30 10 HDEE N#Cc1ncc(NC[C@@H](O)COc2ccc(I)cc2)nc1C#N 1559095551 GKPGHKSNGOFYFV-LLVKDONJSA-N 421.198 1.676 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CC1 1561764945 OLRXRSWRLCJPMH-UHFFFAOYSA-N 400.254 1.180 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)CC1 1563952908 DRPMFTKGLBJPSF-UHFFFAOYSA-N 415.538 1.101 30 10 HDEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 1564821327 MROOHWZWGVBZGK-UHFFFAOYSA-N 423.473 1.823 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)NCc1cc(C#N)ccc1F)C1CCCC1 1565001538 AGEBYDLJMMJKFZ-QGZVFWFLSA-N 411.503 1.451 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1568994710 BWIXYUJINDCLHU-KGLIPLIRSA-N 414.480 1.053 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCS3(=O)=O)C2)C1 1569097756 OMMQPNJSFYNHHK-YYHKSVKZSA-N 411.524 1.467 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1569342311 RELWXGOIXYYGLL-KFWWJZLASA-N 402.513 1.260 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1OC 1587457291 XGYYYTVQSNWZIB-IOBAAEILSA-N 410.492 1.050 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCN(CCc4cnccn4)CC3)C2)c(F)c1 1588071506 FVLNUOSTCVENCW-SFHVURJKSA-N 408.481 1.701 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc2c(c1)OCO2 1588128987 WHCFFODEKJCRKL-MRXNPFEDSA-N 407.430 1.110 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1588445332 KSAOOJVLDPLUHR-SFHVURJKSA-N 424.505 1.922 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCCNS(C)(=O)=O 1588482951 ZEQSCHZQAXHVDN-UHFFFAOYSA-N 405.499 1.874 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOc3ccccc32)CC1 1588732832 HLBFWEOZNTWGMP-GOSISDBHSA-N 422.533 1.738 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C)c2)CC1 1588812122 PEGLEAVUKZPFNC-LJQANCHMSA-N 413.547 1.292 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1593636122 HHOUJQQKKJDZTE-HOTGVXAUSA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595562116 NULJDFZPDCPASN-SFHVURJKSA-N 419.489 1.619 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1596109654 HIRBFQHHFHXVAH-UHFFFAOYSA-N 404.536 1.705 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1596830518 CDIUFBBCIMERJO-WMLDXEAASA-N 419.507 1.821 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)C1=O 1597805097 ZNDGFCMLZQNEGT-VHDGCEQUSA-N 418.247 1.180 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1611309081 XQKXORBNADLFQP-UPJWGTAASA-N 403.455 1.343 30 10 HDEE Cc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1Cc1ccc(C#N)o1 1612572454 HEFRNTUEFHDLTR-UHFFFAOYSA-N 407.434 1.641 30 10 HDEE CCc1nnc(N2CCC[C@](C)(OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613994552 RFIQOYGZNFHIHD-PCYKQNFTSA-N 402.499 1.762 30 10 HDEE CC(=O)NCCN(CCS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)OC(C)(C)C 1617123106 OIXSXCPKEXVEIT-HNNXBMFYSA-N 423.535 1.500 30 10 HDEE CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1617126611 SLRPNQXZFDXKBB-UHFFFAOYSA-N 403.464 1.566 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1617347961 BXVOOZIAJDVESX-APWZRJJASA-N 424.571 1.584 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCOC1 1617729878 YFBILCJBMHMJRH-QGZVFWFLSA-N 410.478 1.324 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1619677686 NPPZKANHKKTUAC-CQSZACIVSA-N 421.461 1.666 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@H](CCF)C2)CC1 1620493889 NNZJTSBLJZIGAR-HNNXBMFYSA-N 417.441 1.515 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC 1624564940 HBTOUBKJRNFVST-MRXNPFEDSA-N 403.435 1.224 30 10 HDEE CC(C)OCCOC1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1626336132 NNHNIBRUEZNLNB-UHFFFAOYSA-N 408.520 1.906 30 10 HDEE COc1ccc(-c2nn(CC(=O)NCCNc3ncccc3C#N)cc2C=O)cc1 1626861553 UVTMLZJGXZYIQQ-UHFFFAOYSA-N 404.430 1.866 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCN(C(N)=O)C3)CC2=O)cc1Cl 1629116535 AAQKDTZGPZGYOW-OCCSQVGLSA-N 403.870 1.471 30 10 HDEE CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1629127482 DHPXDGXYYGBAHD-FDQGKXFDSA-N 407.467 1.500 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2csc(-c3ccc(Cl)cc3)n2)c(=O)nc1O 1630030397 GGJZPSROOKFTSM-UHFFFAOYSA-N 415.862 1.956 30 10 HDEE N#Cc1cn(CCNC(=O)CCc2cccc(F)c2Br)c(=O)nc1O 1630030474 JYNYWQAUYUGWLF-UHFFFAOYSA-N 409.215 1.471 30 10 HDEE N#Cc1cn(CCC(=O)N(CCc2ccccc2)Cc2ccncc2)c(=O)nc1O 1632211793 ALVMYYZVXBTKQW-UHFFFAOYSA-N 403.442 1.877 30 10 HDEE CCOCCOc1ccc(Cl)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1632286823 NCEJAWYGISSQID-UHFFFAOYSA-N 406.826 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(Cc3ccno3)CC2)CC1 1632988195 JRPFLJWQZSTKEQ-UHFFFAOYSA-N 402.495 1.969 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1)C(=O)OC(C)(C)C 1634189461 UIIBARDRXSEEPX-UHFFFAOYSA-N 423.535 1.565 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCCC2)[C@@H](C)C1 1634509458 DHCXCOYBQARLQN-HOTGVXAUSA-N 404.536 1.700 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCCO2)cn1 1634918203 BQOKIXZKBOYMTC-SIKLNZKXSA-N 422.489 1.398 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)n1 1635507932 FFLSIIGQLXBQJL-HZPDHXFCSA-N 407.515 1.976 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@H]1CCCOC1 1636889046 WKGYUEDJBGNFCW-AWEZNQCLSA-N 417.491 1.692 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N[C@H]2CCN(O)C2=O)cc1 1641379153 PNOHWAHUMSHCPK-AWEZNQCLSA-N 409.464 1.031 30 10 HDEE N#Cc1cccc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1[N+](=O)[O-] 1642592922 IGFFVRDBRSDYOB-UHFFFAOYSA-N 407.374 1.422 30 10 HDEE CON(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)OC(C)(C)C 1643862980 NCQVMWNEDOGGNG-LBPRGKRZSA-N 411.480 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCC(=O)NCc2cccc(C#N)c2)C1 1644518685 MQRGRKPYOPWXQM-NRFANRHFSA-N 402.495 1.526 30 10 HDEE Cn1cc(Br)c(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)n1 1649040958 MUROZGHRWWCRCK-UHFFFAOYSA-N 407.224 1.700 30 10 HDEE C#CC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1653281306 HCJQYRGRVWFKMI-UHFFFAOYSA-N 401.400 1.216 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(SCc3ccc(C)cc3)n[nH]2)C1=O 1653705101 ONBSCCQDDUVSAT-UHFFFAOYSA-N 414.447 1.321 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1663801902 SEXVLKNSARVCEZ-MOPGFXCFSA-N 406.504 1.699 30 10 HDEE CCOC(=O)c1c(NC(=O)NCC2(C(=O)OC)CCOCC2)c(C#N)cn1CC 1672918452 FSKIJKYMEBRYKL-UHFFFAOYSA-N 406.439 1.648 30 10 HDEE NC(=O)C1CCN(Cc2ccc(CNC(=O)NCC#C[C@H]3CCCCO3)cc2)CC1 1683349989 IFBUMIMHIFSDEL-OAQYLSRUSA-N 412.534 1.756 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 1684077910 OTDYCSKJPFAJJP-FQEVSTJZSA-N 411.550 1.667 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)c(F)c1 1685482750 BZMQSPIRUONNQM-SFHVURJKSA-N 401.486 1.782 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1686939591 LRRSOGOZJOKVMD-MFKMUULPSA-N 415.231 1.980 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689929885 GPUKBAFPHJYENN-QGZVFWFLSA-N 423.583 1.884 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1690022542 IPADRVUXGUSUSI-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 1690236052 HUXCAKBIGUTTQI-SJORKVTESA-N 418.542 1.360 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1690674158 QYIZPWYEOIBVKU-JOCHJYFZSA-N 421.505 1.354 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690739917 CTNHVEGIRRZCNF-AWEZNQCLSA-N 405.528 1.875 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1690993021 DFCNPCDOGKAYDC-JKSUJKDBSA-N 419.555 1.621 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1 1692574618 ZBXMLGISSMXYFM-UHFFFAOYSA-N 400.508 1.911 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCn2cncn2)CCOC1 1692577565 BFUKJDZEFINNDC-VQTJNVASSA-N 414.514 1.740 30 10 HDEE CCOCc1nnc(N2CCC[C@@](C)(OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696301229 JXRGONDUGOKLKC-ZGAGMJPPSA-N 418.498 1.346 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1698239534 YYRYAHBQNOVQNN-HCXYKTFWSA-N 419.526 1.794 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1705522691 DBJRZJQMXUWVOJ-UHFFFAOYSA-N 416.507 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCCOC1 1705582850 KYKIHXDWFPAKQY-LJQANCHMSA-N 419.533 1.952 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)C(C)(C)C)CC1 1705641164 UYTZSCNMYIAYCK-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(O)CCC2)CC1 1705643149 UHJARYLKHBETGY-UHFFFAOYSA-N 411.506 1.536 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1705658249 JSOCHKDQIICRAJ-UHFFFAOYSA-N 408.553 1.058 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1705664040 IHWQGTATVVDUNN-UHFFFAOYSA-N 415.567 1.469 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnccn1 1705704915 AMQNFUXXQIPBHG-UZLBHIALSA-N 411.510 1.808 30 10 HDEE CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1709982029 PPPWTGVCRRRTPU-STGLLQLASA-N 415.498 1.238 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1711270295 HUTKLFAIKXBNOO-FZKQIMNGSA-N 401.858 1.201 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1712487825 YRDMHMUDTHLTPO-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1722294477 WTCHFNREJUMDSB-AAEUAGOBSA-N 406.288 1.346 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1722457238 UWDPJGAPYQXPHU-AWEZNQCLSA-N 413.503 1.707 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722525050 IAOAMOMZPYTDIX-QGZVFWFLSA-N 417.558 1.013 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN(C)CCOC)CC1 1722565798 BSNIUNFSNFHFJN-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722615142 IRSHKWPBWUVOED-OAHLLOKOSA-N 412.498 1.321 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722739895 YNKHMFXKXJRSEZ-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1722742812 HYKMMVOEEVMSLP-INIZCTEOSA-N 412.519 1.960 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1728259847 GDRNWISRQLGUDR-SFHVURJKSA-N 419.493 1.728 30 10 HDEE Cn1cc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)cn1 1729576359 JUWCHFHGYYLMAW-GOSISDBHSA-N 422.449 1.948 30 10 HDEE CS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1731007874 BFFFBNBSIAUJMN-HNNXBMFYSA-N 414.491 1.124 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1731188796 IWPTUPFGYQHOAN-STQMWFEESA-N 423.399 1.562 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740764151 AQUGYEAVSQPUBG-TWMKSMIVSA-N 412.556 1.980 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1740794993 LVJZFIVGMHTALR-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1740916589 RPFDNFJCOBGJTF-MSOLQXFVSA-N 419.489 1.572 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 1740979582 ALIGMDPZLWTPBA-GHTZIAJQSA-N 402.470 1.941 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1741051314 AHUZQCOGKFMQQC-HNNXBMFYSA-N 405.462 1.834 30 10 HDEE Cc1nc(C)c(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 1742551440 FCRCYOQBLBETJI-UHFFFAOYSA-N 411.539 1.948 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1743385185 HBTLOYQRSHAYBW-YRVVQQKDSA-N 419.432 1.416 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1748077527 CQDGGQGCBHXQDX-OAQYLSRUSA-N 409.494 1.291 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1748655837 GWSSJWPHDABSFD-OAHLLOKOSA-N 419.493 1.424 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1748804915 FOAZBHBXDBJGOW-IFXJQAMLSA-N 402.405 1.867 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1748815289 OGEVVYGWYBUYCX-IRXDYDNUSA-N 410.540 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCSCC1 1748857542 CMNNQHQDCMUNAT-FQEVSTJZSA-N 423.542 1.912 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1 1748949443 ANKITYROQSVVLO-OPYAIIAOSA-N 406.527 1.567 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(N)=O)cc1 1748965244 OZRVAHGYMCWDJX-UHFFFAOYSA-N 424.530 1.867 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2=CCCOC2)CC1 1748978982 SKHUHLQJMTVSME-QFIPXVFZSA-N 415.538 1.421 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1749000011 JROKGUBZVXXWIT-XLIONFOSSA-N 404.584 1.322 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCCS(C)(=O)=O 1749017586 GMQPFZUXJIOGCX-OAHLLOKOSA-N 405.524 1.908 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1749119047 MQIIGAIRPHJEEM-NEWSRXKRSA-N 421.542 1.652 30 10 HDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(C)(=O)=O)CC1 1749305020 MFBAHHWBOWWGPC-UHFFFAOYSA-N 400.508 1.718 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749426784 HMBVMJCWIKRLPX-MBOZVWFJSA-N 424.567 1.921 30 10 HDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1749646177 NTUNQRPQXPPRFH-IIBYNOLFSA-N 424.509 1.493 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1749681207 YIMFDYVOMGOBAY-AWEZNQCLSA-N 417.441 1.298 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccccc2OC)CC1 1749735418 SAWOPOSEVVLBNG-UHFFFAOYSA-N 419.551 1.777 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1750057257 RKHJSKQKEBWUTH-MOPGFXCFSA-N 413.478 1.474 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750994960 DQADUAXPITWBFT-OAHLLOKOSA-N 423.525 1.132 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760155621 DBYAEEKULMEFND-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1cnnn1C 1760173104 JSFQATUGOKLQCW-UHFFFAOYSA-N 416.283 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(=O)N(C)C)CC1 1760271483 ZIMWYTZQQQGGND-UHFFFAOYSA-N 422.533 1.117 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1760277661 CJLWNWOYZGZLNL-UHFFFAOYSA-N 423.539 1.532 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1cn(C2COC2)nn1 1761078634 YKVRURRHEFUWML-INIZCTEOSA-N 414.514 1.759 30 10 HDEE CC(C)N(CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1761179438 DXGLOQCIOHPLMS-SFHVURJKSA-N 400.531 1.916 30 10 HDEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769552670 AFCJAYHXSJJVTA-HNNXBMFYSA-N 412.498 1.044 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCn2ccnn2)cc1 1770732636 FRXJPPYGQLAGKG-QGZVFWFLSA-N 405.466 1.200 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1771056459 XXGNLQPCZURWPM-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(F)c(F)c1F)ON1C(=O)c2ccccc2C1=O 1772789077 OKOSTUVAOGXXHY-UHFFFAOYSA-N 414.317 1.137 30 10 HDEE COc1cccc(-c2cc(CC(=O)N(C)C3CN(c4nccnc4C#N)C3)no2)c1 1848888080 IHVGBOLZFQNRGT-UHFFFAOYSA-N 404.430 1.902 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@H]1CCN(C)C1=O 1849165134 CHXMLDRYFYSXHM-AEFFLSMTSA-N 405.520 1.333 30 10 HDEE N#Cc1ccc(C(=O)CO[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1849316457 ADMRZZGCQGGLEX-VQTJNVASSA-N 403.438 1.769 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CO2)nc1 1851290852 IXXJUPSCQJYYBB-WMZOPIPTSA-N 418.413 1.793 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc1 1852646487 FFLFGLLJMYTLGJ-CYBMUJFWSA-N 405.418 1.478 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)C3CCN(c4ccccc4C#N)CC3)C2)c1=O 1853052765 WDGGGTCOCHBHGF-LJQANCHMSA-N 421.501 1.499 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2=O)no1 1853743617 PNIHGECKCWJMPP-SFHVURJKSA-N 413.478 1.198 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2=O)cc1C#N 1854029354 XNRIWRJFXHLYGZ-UHFFFAOYSA-N 419.409 1.818 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccccn4)CC3)C2=O)ccn1 1854153832 RWHYTNUUJGZZEU-HXUWFJFHSA-N 404.474 1.297 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2=O)C1 1854291597 OEJHAMMXIAJVIO-QGZVFWFLSA-N 407.430 1.713 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@@H]2C)cc1 1854679666 FFKNFASBKNZVCZ-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE Cc1cc2ccccc2n1CCC(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854694745 SLTFYPVELDNAAS-OAHLLOKOSA-N 402.476 1.253 30 10 HDEE CN([C@H]1CCCCN(C(=O)CCc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1855607569 OVVDHTQOQNGWBD-MOPGFXCFSA-N 417.531 1.517 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1856096318 DMLCTTLWURPLRW-LSDHHAIUSA-N 416.547 1.652 30 10 HDEE CCn1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c(C)n1 1856379486 YANAXKHRLOSBTJ-HNNXBMFYSA-N 408.462 1.230 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cc3cc(OC)ccc3OC)C(=O)C2)C1 1856848344 KEJRJGXTILJUQU-SFHVURJKSA-N 401.507 1.568 30 10 HDEE CC(C)=CC(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127242 KGKYITIUEZDOFU-SFHVURJKSA-N 400.523 1.802 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857306500 UQNLHQXKXGYJQY-GOSISDBHSA-N 419.503 1.222 30 10 HDEE Cc1ncc(CC(=O)N2CC[C@H](N3CCN(c4ccc(C#N)cc4)CC3)C2=O)s1 1857447310 QYLMXVXIRMOIDO-IBGZPJMESA-N 409.515 1.815 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)c1 1858327285 QHDDBUKYRQQONV-INIZCTEOSA-N 410.455 1.246 30 10 HDEE CCOC(=O)CN(C)C(=O)[C@H](C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868781899 BVBIGNOAVFCPEU-HOCLYGCPSA-N 420.535 1.551 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2)c1 1889876438 YROHGDZBNRSJJU-SFHVURJKSA-N 401.426 1.852 30 10 HDEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN3CCCCC3)n2)cc1OC 1890031884 PLQDOBABSVVTGT-UHFFFAOYSA-N 424.501 1.533 30 10 HDEE COc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890201390 XANUBSNWJHPICI-UHFFFAOYSA-N 415.534 1.332 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891424864 HARBUABNOZUBMC-ZDUSSCGKSA-N 416.459 1.444 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046019497 OEYVUVDNVVNVEY-LJQANCHMSA-N 410.467 1.312 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#N)ncn1 2066550874 MBSYLDBSABKVGX-QGZVFWFLSA-N 403.395 1.114 30 10 HDEE N#Cc1ccc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)c(Br)c1 2118195215 SYXHHILEEXKUAV-UWVGGRQHSA-N 419.201 1.679 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CC(C#N)C2)C1(C)C 2174783990 JEGRZRQIRQUDHD-NRRJATNASA-N 420.557 1.478 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243384395 OZHFOJXUSRSIKU-UHFFFAOYSA-N 406.292 1.400 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)C1 2247672317 VACKWQIFHNDOPT-UHFFFAOYSA-N 418.303 1.268 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)NCC1(CC#N)CC1)NC(=O)OCc1ccccc1 2258133827 RMLVZRLVDZHEPW-HNNXBMFYSA-N 409.464 1.068 30 10 HDEE C=C(CO)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352883 HZBBHFVUJDGJFC-UHFFFAOYSA-N 407.750 1.918 30 10 HDEE Cc1cc(C#N)cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270540604 PXAKPRVFCXMOQK-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE CO[C@H]1C[C@H](CO)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281937336 YKBZCORATOJNJE-MNOVXSKESA-N 401.721 1.923 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCS(=O)(=O)C(F)F 2281966441 JGPSCRZQOBGUJB-UHFFFAOYSA-N 410.273 1.118 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1NCC1(C)C 2282310952 AZQDBUYEKWIQLL-ZDUSSCGKSA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282312219 SICRLFAIKDCVFT-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314322 XVNKFKUDVNJATD-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CCOC[C@@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282323701 FUEGASZDHZSWJF-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H](C)S1 2282335415 PJDMXHGDBFBBET-TXEJJXNPSA-N 401.363 1.234 30 10 HDEE CN(C[C@@]1(F)CCOC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491951 PGQAWLFCZCNLFE-INIZCTEOSA-N 405.322 1.796 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H](N)C2CC2)OC1(C)C 2282492277 QKXXSJQXGBJNKE-AWEZNQCLSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(O)CCC3)ccc2Cl)OC1(C)C 2282499030 MHWMNNHPOHCYDQ-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@]2(C)CO)OC1(C)C 2282501180 TZANKJSQNXNGSP-INIZCTEOSA-N 402.347 1.119 30 10 HDEE CCc1nc(C(=O)N=[S@](C)(=O)CCOC)c(B2OC(C)(C)C(C)(C)O2)s1 2282515166 NZSYJPDXVAMAEL-AREMUKBSSA-N 402.347 1.889 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H]2CCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282829368 DGMXEXOIJWAWDR-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC(C)N(C[C@@H](C)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839780 IYPFKGNWXAQOCS-GFCCVEGCSA-N 404.363 1.363 30 10 HDEE CC1(C)[C@@H](N)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842611 AOWZSSGISQEYRN-QWHCGFSZSA-N 400.375 1.593 30 10 HDEE CC[C@]1(O)CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282857508 JEVXZKREICYHMI-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](CO)C(F)(F)F)OC1(C)C 2282881307 WAQDCEXEZFSXBD-VIFPVBQESA-N 415.264 1.496 30 10 HDEE C=CCN(CC(=C)B1OC(C)(C)C(C)(C)O1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1 2284061220 CDSYGUVEFSZLOH-AWEZNQCLSA-N 405.347 1.179 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H]2CC(N)=O)OC1(C)C 2285740449 ZDBHEFBEWUKYNO-LLVKDONJSA-N 400.331 1.076 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2COC(=O)C2)OC1(C)C 2296241196 LJMZINDXVKOYOM-JTQLQIEISA-N 401.677 1.233 30 10 HDEE O=c1c(Br)c(NN=Cc2ccco2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659615 BVZCFLBFNBNGJX-SECBINFHSA-N 401.242 1.404 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C[C@@H]3CCCCO3)s2)OC1(C)C 2364002268 QDJOVUFIKDYIMG-LBPRGKRZSA-N 402.347 1.431 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C12CCC2 2365197294 UWXNZMOMCHSXPO-IFXJQAMLSA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2365198600 HNULEFMVPKAVRY-KUHUBIRLSA-N 404.573 1.845 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCCOC1 2367800206 HUARJNXUGZXZGR-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(N)C#CC1(S(C)(=O)=O)CCC1 2367819955 PYNGNTVGNZUWAA-YJBOKZPZSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367828838 USSUSCSJAZDWTR-GJZGRUSLSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367831783 UNXOGFNUQCSNMS-KFWWJZLASA-N 400.541 1.291 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367854672 AJSXQSFZUBNVEB-QAPCUYQASA-N 401.525 1.827 30 10 HDEE C=CC1(N[C@@](C)(CS(=O)(=O)C(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2372936931 ANGMIRFUNIEUSJ-KRWDZBQOSA-N 404.529 1.808 30 10 HDEE N#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)cc1 12029990 YDUQKUATJPMAAY-MRXNPFEDSA-N 404.469 1.771 30 10 HDEE Cc1cc(NC(=O)CSCC(=O)N2CCN(c3ncccc3C#N)CC2)no1 105285814 ZIOYWEGWTDAKAV-UHFFFAOYSA-N 400.464 1.270 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 109942644 LMOQSFDLLAXCAU-INIZCTEOSA-N 422.532 1.070 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C 447783373 PMUVHYDZBZFGID-UHFFFAOYSA-N 407.499 1.052 30 10 HDEE COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 462091461 ZBFOMWIURAYKIG-HOCLYGCPSA-N 411.466 1.534 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480473877 KMMYDVDSNDWLRL-UHFFFAOYSA-N 413.565 1.772 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 485047645 VSEKJSMMVPDEFN-UHFFFAOYSA-N 418.494 1.872 30 10 HDEE CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1cnc(C)c(C#N)c1 489633514 YCIFNHJBLQBKHD-ZDUSSCGKSA-N 410.496 1.119 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2)nc1 489983290 LIQHQLDZCQBMEA-ZWKOTPCHSA-N 406.446 1.707 30 10 HDEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 494397102 LKXIVGLCASZBFW-IBGZPJMESA-N 403.360 1.946 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(CCC(=O)N(C)C)CC1 508871906 HDJOADAQWOXLKS-UHFFFAOYSA-N 400.502 1.794 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 512720075 IGVKPJFKRVUSTK-OAHLLOKOSA-N 400.504 1.033 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4COCC[C@@H]43)CC2)cc1 531797100 AXOKLRMFBQOPFU-QUCCMNQESA-N 417.531 1.986 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)c(F)c2)C1=O 535884085 ADODTQLZBRYKEE-ZBFHGGJFSA-N 422.844 1.317 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 543352093 NPRPEDLFQLOGTD-SFHVURJKSA-N 414.487 1.471 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 545514750 KVIJFAURSCGJKR-UHFFFAOYSA-N 411.466 1.802 30 10 HDEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C(N)=O)C1 549679182 TZLXVOMEMUNDCZ-AWEZNQCLSA-N 406.284 1.974 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 555097480 PMDVQKIDVCCIMN-SFHVURJKSA-N 424.505 1.824 30 10 HDEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 555260823 MDUCJPTZUNDMLV-KRWDZBQOSA-N 417.477 1.925 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 555266896 JHJAXZBNQAPEFT-INIZCTEOSA-N 407.482 1.372 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1CCS(C)(=O)=O 557417985 UTKYDDIUIDHHSB-QGZVFWFLSA-N 417.535 1.966 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 558918806 HRJNQIHJAMZRSR-OXJNMPFZSA-N 411.506 1.834 30 10 HDEE CN(C)c1nc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)ns1 559890043 PFDMFIUQASLQJU-AWEZNQCLSA-N 407.521 1.846 30 10 HDEE N#Cc1c(CCCNC(=O)CN2C(=O)Cc3ccccc32)nn(-c2ccccc2)c1N 590421006 SHMSBGDICIHBNA-UHFFFAOYSA-N 414.469 1.964 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(C#N)cc2F)cc1 609239044 AUHFWFDHAQBTMO-UHFFFAOYSA-N 420.466 1.621 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1 609253899 PAMQQUQZHNMYTH-UHFFFAOYSA-N 402.451 1.913 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC(CS(N)(=O)=O)CC3)cc2)nc1 609518004 MXPGHQNGMAEJBX-UHFFFAOYSA-N 400.460 1.886 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 685843512 FUHHEEJYGJHZIN-JRINFJIASA-N 406.482 1.519 30 10 HDEE C[C@@H](c1ccccc1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O 727418577 TVWJIRYEDBXOET-AWEZNQCLSA-N 405.479 1.894 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 729281881 RIXJNQYGQRTMMN-UHFFFAOYSA-N 418.497 1.836 30 10 HDEE N#C[C@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CCN1C1CC1 732674775 LTXUWXNJFYHVKU-VQTJNVASSA-N 401.486 1.581 30 10 HDEE C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706959 SHJOZFXLNWOMMJ-OXJNMPFZSA-N 423.517 1.838 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnccn1 735479941 FNGCTXOOOYHWEY-INIZCTEOSA-N 401.492 1.733 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 737304716 AWBCQZYMBBCNGG-PFONDFGASA-N 421.251 1.339 30 10 HDEE CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 749653533 AVURCGZCDHTZEF-FBMGVBCBSA-N 412.446 1.497 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccc(OCC#N)cc1 755234453 CRXRJMBMQJQQIQ-KRWDZBQOSA-N 416.478 1.721 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCNC(=O)OC(C)(C)C 756932596 HZOVOBWDAOGHQD-CQSZACIVSA-N 403.487 1.483 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCC2=O)cc1C 760543774 XQBHPDHNWHPTMZ-BLRPHQBRSA-N 410.474 1.689 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 764772711 LQWFYOIQJRZROP-UHFFFAOYSA-N 417.443 1.119 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 766980447 SBSWHJYNJOIDPQ-AWEZNQCLSA-N 423.516 1.463 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766987994 GMAOVDSYQNSMPA-AAEUAGOBSA-N 411.505 1.319 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)O)c1 767162068 MTKVWPCBAKUKQF-INIZCTEOSA-N 418.446 1.411 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 767698502 HQEALQGVTZNNOL-INIZCTEOSA-N 424.519 1.469 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccccc1Br)c1cc[nH]n1 772154358 AKZXAALDBZUDMQ-UHFFFAOYSA-N 423.267 1.815 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](OC(=O)Cn3c(O)nc4ccccc4c3=O)C2=O)cc1 778777439 YFVCXVHKCAMYIC-GOSISDBHSA-N 418.409 1.713 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1 781397613 JJJAVZYDQCAFKH-UHFFFAOYSA-N 413.455 1.728 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C34CC(C(F)(F)F)(C3)C4)CC2)o1 786333517 UEJRQCCPQVIBCC-UHFFFAOYSA-N 412.368 1.779 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787249437 FJKCMDDJXDSGAB-UHFFFAOYSA-N 402.524 1.800 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c3ncccc23)n1 788695489 PSKCUAYHPAUKAT-UHFFFAOYSA-N 414.487 1.910 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n1 790104728 UXGMQNIDTYOXSS-UHFFFAOYSA-N 419.489 1.655 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CC(=O)Nc3ccccc32)n1 790108936 IXRSPGAPBHBVQD-UHFFFAOYSA-N 423.473 1.257 30 10 HDEE COC(=O)c1c(F)ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1C 810783026 BDXNYSMCUWGGJO-UHFFFAOYSA-N 405.407 1.598 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 811500170 YOHDTRYZSDGVGG-NRFANRHFSA-N 413.499 1.389 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c1 811503908 JWDWKNCEKAEVHW-UHFFFAOYSA-N 405.863 1.220 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 812179544 UXBGCFMDQVCKIN-OAHLLOKOSA-N 420.514 1.441 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)c1ccc(F)cc1 812935003 UENFPXIJVZLZFR-MRXNPFEDSA-N 422.507 1.981 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ncc(C#N)cc2C)cc1 816661731 WGEUWUBEPMYFOI-AWEZNQCLSA-N 410.430 1.822 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 817057367 BCRGRQABWZOPGS-HIFRSBDPSA-N 409.508 1.550 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1C 1124800463 WHLWCVZZQOCWBA-UHFFFAOYSA-N 415.519 1.869 30 10 HDEE C#CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCS(=O)(=O)C1 1125884353 SNNPDGNTUAHABB-LBPRGKRZSA-N 411.277 1.348 30 10 HDEE C=CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1130889901 DPHYKGPWCWTJOG-MRXNPFEDSA-N 410.536 1.933 30 10 HDEE CN(C)CCn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cn1 1136200236 SYDHDEZSKCNYFH-UHFFFAOYSA-N 424.484 1.586 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 1138987274 OEZFJEYFGGTMJQ-UHFFFAOYSA-N 402.423 1.099 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)s2)cc1OC 1142519664 UARDUFNXXORBLM-UHFFFAOYSA-N 409.489 1.622 30 10 HDEE C[C@H](CC(=O)N1CC(Nc2cccc(C#N)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1149468642 CBFLJGVPHFENPM-CQSZACIVSA-N 423.498 1.698 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1163725712 AJYHRGKDEHKBPT-OAGGEKHMSA-N 422.551 1.119 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](n4ccnn4)CC3)C2=O)cc1 1168456673 SMMSHGJCHCPJJC-WMZOPIPTSA-N 421.461 1.609 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1170364454 FJEKVLXWHHSPOS-LDLUVENISA-N 417.531 1.830 30 10 HDEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180721920 XJPCOSMQPAIXDY-UZUQRXQVSA-N 417.469 1.828 30 10 HDEE CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1184973834 CIOGFIKRAJDMED-ZDUSSCGKSA-N 421.338 1.909 30 10 HDEE COC(=O)C12CCC(CC1)N2CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1196906672 DCVKSSFZGDWTQL-NGEICVOHSA-N 402.520 1.627 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc1 1198692113 ULTVVLRFDWHVAB-INIZCTEOSA-N 406.450 1.441 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 1213679738 HOFAHQJQRWEGON-GFCCVEGCSA-N 402.270 1.733 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1226357836 CNTHDXSABUINFT-IBGZPJMESA-N 420.554 1.307 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227631513 GUISCZBFTYCHIX-ZWKOTPCHSA-N 412.494 1.104 30 10 HDEE C[C@@H](C#N)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1233951530 FHYBXHLJLAMMLW-GWCFXTLKSA-N 412.231 1.633 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C 1264988223 DCIPKRHXTDPXAO-UHFFFAOYSA-N 416.522 1.544 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCCN2C(=O)CNC2=O)s1 1265069472 UHXSHZCLFCGGQY-UHFFFAOYSA-N 402.929 1.897 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1286361151 LQMMQWONKSDUAR-CQSZACIVSA-N 401.496 1.008 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@]1(C)CCCS1)[C@@H]1CCS(=O)(=O)C1 1286392236 BEGHVMFUKKCJTK-CRAIPNDOSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1nnc2n1CCCCC2 1286411392 RVKLTDNPGFKCRZ-UHFFFAOYSA-N 400.490 1.703 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1286415758 LMTAWPZMNOLHBD-UHFFFAOYSA-N 414.535 1.037 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1286476130 OZITYDAOOODZSL-UHFFFAOYSA-N 410.432 1.871 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286496163 OOSSVHVYFHOYPN-HOCLYGCPSA-N 418.567 1.925 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286777581 HGALHJDUUQLCQF-XLIONFOSSA-N 402.499 1.816 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286786811 IWVVRWDDHLBYMG-OAHLLOKOSA-N 406.450 1.090 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](Cn2cccn2)C1 1286818428 WRQYWIQBWINYMS-SJORKVTESA-N 422.555 1.494 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1294226658 GCXRRJTZPQNUHW-IUODEOHRSA-N 402.838 1.217 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)[C@H](O)Cc2ccccc2)s1 1295329191 RMKTXCSSHHIWPT-WMLDXEAASA-N 408.545 1.863 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC=C(C)C1 1297779241 YHGNORPOWQIOMO-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H]1CCCN(O)C1=O)Cc1ccccc1 1298543072 LSTDLGNGRQTIEG-QGZVFWFLSA-N 420.510 1.510 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1OC 1299712198 ADIHKZLPTSLCTO-OAHLLOKOSA-N 405.451 1.488 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1300428864 QTQFGMWABYMZNH-BBWFWOEESA-N 416.482 1.685 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1300487716 LVEYZOLZTSPGMF-KRWDZBQOSA-N 417.535 1.784 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1300580529 DNUFLIWHSNGIIU-HNNXBMFYSA-N 400.483 1.217 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1301422790 XBPJAMPGLOIKBV-HZPDHXFCSA-N 413.478 1.708 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1301463508 YHRCPFLSILSHPP-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)c1ccccc1 1301478872 QNLIYGVLVZFHHQ-GJZGRUSLSA-N 420.539 1.388 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1301964498 BAHVMMWEZVYWGR-HUUCEWRRSA-N 418.571 1.784 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC(=O)N2)CCO1 1303005414 ZEVNGMWJUJHZHL-CHWSQXEVSA-N 402.405 1.154 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1305680399 IMAQLXRTNIDCPW-IJEWVQPXSA-N 402.394 1.560 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 1307936242 BOIJQLWYGUFHGD-IEBWSBKVSA-N 415.490 1.977 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C1CCCC1 1312943247 OWIKVNVTUMVWDZ-SFHVURJKSA-N 405.524 1.538 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1313550087 FEFGPGXFNYFUQD-UHFFFAOYSA-N 411.510 1.646 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c1 1314979430 HTCSBQXUJUFRFS-PBHICJAKSA-N 409.494 1.570 30 10 HDEE COC[C@H](F)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1315827211 SMUANZJVAHHXRM-GDBMZVCRSA-N 414.489 1.592 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2(O)CCCCC2)cc1 1316533775 DEVSVDDRZTZEHY-QGZVFWFLSA-N 424.505 1.736 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1349455491 BLANBZVFGFBQNE-MAUKXSAKSA-N 424.461 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)[C@H](C#N)C1 1355540921 TWNYDTLZHHYPFA-VUDGCMKMSA-N 409.464 1.668 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1358913272 JSQBIVRVUSFSLT-HNNXBMFYSA-N 415.510 1.371 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1358946073 HEIXVROHHJVEJQ-UHFFFAOYSA-N 422.489 1.193 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358963904 PRGOXPXBQWQHDL-IRXDYDNUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccccc1F 1358999629 XWJAOEXAMNTAGZ-UHFFFAOYSA-N 400.458 1.445 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1359026136 LYZYKSBAAVAMLO-HNNXBMFYSA-N 423.564 1.155 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCC2)CC1 1359036494 XWBLCBPTJIMPQU-MSOLQXFVSA-N 403.552 1.292 30 10 HDEE C#CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1359062042 URCDGHPHEGMTPU-PMACEKPBSA-N 419.551 1.156 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1359097390 OIEZRLJBURJWMP-MDZRGWNJSA-N 416.526 1.302 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359150794 GTBZOOOYAAFHFB-HZSPNIEDSA-N 415.947 1.456 30 10 HDEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359210484 UWFVPXKINNBQMR-MRXNPFEDSA-N 410.478 1.067 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359216347 VBTPSEVJDWXRNS-GOSISDBHSA-N 404.559 1.739 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1359492081 ALKNQPHLPIJFJD-KRWDZBQOSA-N 407.478 1.708 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCSCC1 1439615884 OJTQUFRMCYIXOW-GUYCJALGSA-N 414.549 1.238 30 10 HDEE N#C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(Br)cc1 1441060965 WWKABOBWSBMMLW-CQSZACIVSA-N 405.256 1.712 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CCCN(C(N)=O)C2)n1 1442968160 TWGUXBSTBKDUFV-JTQLQIEISA-N 407.525 1.529 30 10 HDEE CCOC(=O)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1443628014 WMZLUUMWADEUEX-GOSISDBHSA-N 421.519 1.743 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)cn1C 1445603143 ADHGGYNUGFBNDN-SFHVURJKSA-N 415.519 1.334 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(-c3cccc(Cl)c3)nc2O)CC1 1449079221 CHOLSGNXVPJBFJ-UHFFFAOYSA-N 412.877 1.615 30 10 HDEE CCc1ccc(C#CC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1451637185 BBWPKBNJENLVCL-UHFFFAOYSA-N 415.471 1.946 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1451646613 NDCHDGIVOADFJJ-UHFFFAOYSA-N 405.451 1.434 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@]34COCCN3C(=O)COC4)cc2)nc1 1462235672 GUBMWJQUWZWGMF-OAQYLSRUSA-N 408.414 1.103 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H](CO)NC(=O)Cc3ccc(F)cc3)CC2)cc1 1463586535 CKSGDZUVSDBKOG-NRFANRHFSA-N 424.476 1.061 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)N(C)C)C(=O)OC(C)(C)C 1463872182 CWIMDZFOOSUZNY-UHFFFAOYSA-N 409.508 1.423 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCn2cncn2)CC1 1465398420 XMWABFYBLPHLBD-QGZVFWFLSA-N 406.531 1.672 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)C1 1471833312 UUGMZALZIFPWNK-HNNXBMFYSA-N 406.442 1.820 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCn3nncc3C2)C1 1471908858 RBOXJTSGLSHZHT-UHFFFAOYSA-N 401.268 1.781 30 10 HDEE Cn1c(=O)[nH]c(NC[C@H](CO)Cc2cc(F)cc(Br)c2)c(C#N)c1=O 1472800881 ABJJMWFZRAPTIN-SNVBAGLBSA-N 411.231 1.110 30 10 HDEE CO[C@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)Cc3cccnc3N2C1 1473713945 FZPYURNVYJJTPV-ROUUACIJSA-N 413.503 1.231 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 1475618598 XDQFXDWBEXAMFD-UHFFFAOYSA-N 409.420 1.090 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CCN(C)C)CC(=O)N(C)C)c(C#N)cn1CC 1476762346 FFVFQWDKWURJAE-UHFFFAOYSA-N 406.487 1.040 30 10 HDEE CN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503529007 QTLFANIJSMMDQE-QFPXGYFVSA-N 400.483 1.545 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1503759264 AQKILYYFMJWWKT-MRXNPFEDSA-N 410.478 1.216 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1507516434 LBHXYCUHYIDWAH-OLZOCXBDSA-N 411.478 1.867 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1507576008 VKOHAVPSGVGMOP-KRWDZBQOSA-N 424.615 1.860 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCO[C@H]2CCOC2)CC1 1507724715 VXKBXHHZDXNCEW-FQEVSTJZSA-N 410.522 1.215 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(OC)c2)CC1 1507725400 VAQMIBUIGUUSKX-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1507750159 KOEVBFOESKRADG-AWEZNQCLSA-N 408.553 1.361 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507792470 IOEPIOSADNDQAF-HNNXBMFYSA-N 419.345 1.738 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507861216 DZCSKRIQEPYHGB-OAHLLOKOSA-N 415.929 1.882 30 10 HDEE C=CCCOCCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1507965359 DOTQPQRRQSLQEW-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1C(C)(C)C 1508150084 ZIQACFYLFXRKFO-KXBFYZLASA-N 412.556 1.561 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cn1 1509825622 FSVDAQLSGYXAGG-HOTGVXAUSA-N 411.466 1.188 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1509956555 CILDIUGWZAGHQU-IUODEOHRSA-N 404.421 1.941 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1=O 1515883547 DYUHBFKTYATFFW-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE Cn1nncc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1517428432 RXKLKUPTMZWKJZ-ZDUSSCGKSA-N 400.393 1.053 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1517508157 ZUDNWUSWDDBUJF-LSDHHAIUSA-N 416.482 1.477 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCOC2)c1 1521075050 HFEFBJQVXXYCDV-KRWDZBQOSA-N 424.505 1.714 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1cc(C#N)cc(N(C)C)c1 1531629091 XVGKJLFSPONDBQ-UHFFFAOYSA-N 410.430 1.788 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cc(C)c(C#N)cn1 1539055454 VDHRBRYXULQETP-UHFFFAOYSA-N 400.460 1.757 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1539148478 LFGJYDQZZXOYBV-AWEZNQCLSA-N 415.523 1.467 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1539219916 OMKPNIWCEJGXMM-MRXNPFEDSA-N 419.555 1.175 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1539368690 AYHGNURKIFXNMF-UZLBHIALSA-N 420.535 1.757 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1539415949 IMWPWNBNYFZJOK-IERDGZPVSA-N 402.470 1.915 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539515193 ZSGQPIFVFIZNGY-CVEARBPZSA-N 418.567 1.338 30 10 HDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1539530738 MOSNMEDJZJFQFY-UZLBHIALSA-N 419.551 1.108 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1539541560 JAEMMHRJFQKUML-HVETUWLQSA-N 415.538 1.837 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1540028173 KMYUOPRUTJXZOT-SFHVURJKSA-N 410.478 1.361 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1540073611 SBFZPRBIUDOZHZ-AWEZNQCLSA-N 411.553 1.753 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1540859767 GKHWIEBGUDIZDB-UHFFFAOYSA-N 414.432 1.481 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1 1540862621 GBSKQAAHBCCVCO-CQSZACIVSA-N 424.571 1.373 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1541113359 UYQIEHLWCSERKZ-HYVNUMGLSA-N 406.556 1.956 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCO 1554164957 CVMUARNRTFQGGB-SFHVURJKSA-N 417.535 1.851 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1555807838 GOGSRUHQFOVQLS-NVXWUHKLSA-N 401.492 1.762 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)C[C@@H]1O 1555940708 NHFBWVKFODOQMA-QAPCUYQASA-N 410.478 1.866 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)CCO1 1555994129 FZSASHORFNHPGA-CQSZACIVSA-N 404.496 1.161 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)nn1-c1cccc(C#N)c1 1556603571 ISENETQTWWGKLQ-IBGZPJMESA-N 417.473 1.821 30 10 HDEE COc1ccnc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1F 1557537561 PDVBTVKRRCPUDY-NSHDSACASA-N 406.439 1.363 30 10 HDEE Cc1noc([C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)n1 1558873882 SHLSLXAZYQQHOL-INIZCTEOSA-N 405.480 1.710 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1561550236 GIBIVZVJFJUNBX-INIZCTEOSA-N 414.572 1.883 30 10 HDEE C#CCN(C(=O)NCc1ccccc1N1CCN(C(C)=O)CC1)C1CCN(C)CC1 1563864483 AJCMMUKVBGCKHW-UHFFFAOYSA-N 411.550 1.594 30 10 HDEE COc1ccc(Cl)c(N2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)c1 1583602587 PBFCGFOXMMVSGZ-UHFFFAOYSA-N 417.853 1.221 30 10 HDEE COC(=O)C[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1584519596 AFBHMFDQOSDQSD-ORAYPTAESA-N 405.838 1.403 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1587626285 JTNRXGOVEDZCKF-HOTGVXAUSA-N 421.505 1.773 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1587651832 SAJAOSBZGJEOSC-HNNXBMFYSA-N 404.474 1.878 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1587661548 FAJJZQJNEWOOJE-UYAOXDASSA-N 412.586 1.624 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588090232 ULKZLHOCUCXBCH-COPCDDAFSA-N 414.506 1.341 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1588139126 MFSGPJYVZKXOHY-JXFKEZNVSA-N 404.536 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1588594037 DZDDZBTYCWWOLR-UHFFFAOYSA-N 402.405 1.284 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 1588647327 URYLWDFDOHPAGT-MRXNPFEDSA-N 423.514 1.319 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@]2(O)CCc3ccccc32)n1 1588724415 ZDJJXTCCERDIEG-HSZRJFAPSA-N 420.517 1.903 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCC1 1589151186 UCTOHUWYYOYVDF-QFBILLFUSA-N 424.567 1.962 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1593768293 CSCVKCXYMRVKFI-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1595303565 VGTPAVNTVDKKSX-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595789327 QVJTWSFTRHEKGL-UHFFFAOYSA-N 421.567 1.738 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1595905012 AKADLMRUOFEBSY-IAGOWNOFSA-N 421.567 1.876 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1603144479 CAHPXJDTGUKLSO-HZMVEIRTSA-N 409.556 1.980 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1603683912 YMZZIGVGTOTSLI-OAQYLSRUSA-N 411.510 1.221 30 10 HDEE CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CN(C(=O)OC(C)(C)C)C1 1607624060 DSCJMOFWRWCCBD-UHFFFAOYSA-N 422.507 1.241 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(C)[C@H]3C)nnc12 1611662750 UUUPTWDRKMNXEW-ZFWWWQNUSA-N 412.519 1.531 30 10 HDEE C#CCN1CCN(C(=O)CSc2nc(O)c3cnn(Cc4ccccc4)c3n2)CC1 1614739376 CURFXKGDAUHADM-UHFFFAOYSA-N 422.514 1.450 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1617727975 CANRVGAGTVAKOP-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cccc(F)c4C#N)CC3)n2CC(C)(C)O)cn1 1618396395 BIEMNVYTYLYTDN-UHFFFAOYSA-N 424.484 1.787 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCOCC1(C)C 1619911632 BAOKQLHHYZPKOS-UHFFFAOYSA-N 414.514 1.212 30 10 HDEE CC(C)NC(=O)OC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1625526049 GSAMCYUZYKOFOC-ZDUSSCGKSA-N 404.854 1.910 30 10 HDEE C=CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1626456804 XDVQJWYQBQAYOC-JTQLQIEISA-N 418.269 1.755 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1630058682 HWFMQDZLSQCAHI-UHFFFAOYSA-N 402.476 1.287 30 10 HDEE C=CCOC[C@@H](NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1)C(=O)OC 1635159190 UWTDVYZUUCOVSA-CQSZACIVSA-N 410.471 1.826 30 10 HDEE CN(CCc1ncon1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1635772927 HIQHGWIYRAPYCL-UHFFFAOYSA-N 403.464 1.043 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccncc1OC[C@H]1CCOC1 1635894800 RTOLICYCKRJZQG-INIZCTEOSA-N 403.479 1.983 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1636029387 RLXAYZZRCSTKMU-KGLIPLIRSA-N 414.528 1.354 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1cc(S(N)(=O)=O)ccc1O 1637105087 NVEMYZYRUKAHOV-UHFFFAOYSA-N 410.249 1.855 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1)C1CCOCC1 1637128974 ULQYIVIEMLGKLI-DZKIICNBSA-N 408.442 1.566 30 10 HDEE C[C@@]1(C(=O)NCC2(C#N)CCOCC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1637331763 DMFGTFJCJITLDC-XLIONFOSSA-N 401.463 1.585 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CCC)CCO)nnc12 1638992093 PHHQZNHGBXXIQJ-CQSZACIVSA-N 415.519 1.990 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2ccccc2[C@@H]1CO 1639188749 AWQHBTNIURPHIL-KSSFIOAISA-N 415.471 1.180 30 10 HDEE Cc1nc(S(=O)(=O)NCCC(=O)NC2(c3ccc(C#N)cc3)CCC2)cn1C 1639189843 NBQFIOKJRWXMMF-UHFFFAOYSA-N 401.492 1.464 30 10 HDEE Cc1ccc(C(=O)N[C@H](C(C)C)C2(CO)CC=CC2)cc1S(=O)(=O)NCC#N 1639381594 KGDZBLMNGIAQHO-GOSISDBHSA-N 405.520 1.880 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(C(C)(C)CN(C)C)CC1)c1cc[nH]n1 1640993118 USIRIZWEEKHKPM-UHFFFAOYSA-N 407.515 1.520 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)CCOC1 1641761430 YLENVLVISOZINN-HXUWFJFHSA-N 403.504 1.268 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CC1 1641976408 IAXDMZGHWWUYLI-UHFFFAOYSA-N 404.513 1.827 30 10 HDEE C#CCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1642208198 HRNMRLAANZKFNI-KRWDZBQOSA-N 416.526 1.631 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2c1ccc(F)c2F 1643377372 AEEPBRCRMHGXPV-LLVKDONJSA-N 407.398 1.929 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 1644209926 LQLBKTWXQJARQI-HOTGVXAUSA-N 420.485 1.444 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1644429086 OAZRIGLURIHCHR-BBWFWOEESA-N 406.548 1.660 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1644461607 GLHKAYKVAJWHKI-AWEZNQCLSA-N 401.916 1.579 30 10 HDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(C)cc1 1648029066 WTKADXDAUCSXMH-UHFFFAOYSA-N 418.457 1.964 30 10 HDEE O=C1C[C@H](CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1648125983 WTKJOZYMPSULLC-QYNIQEEDSA-N 408.245 1.669 30 10 HDEE Cn1[nH]c([C@H]2CCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nc1=N 1658389445 PPHRSKMFUFNQRQ-OAHLLOKOSA-N 406.412 1.551 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1660398729 KHDLZFCLDAMAAE-ILXRZTDVSA-N 410.565 1.876 30 10 HDEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3cccc(F)c3C#N)CC2)n1 1664866019 GOPMCBUOVHHGIQ-UHFFFAOYSA-N 424.479 1.841 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1681433418 GYKOHYQTZIZHTE-ZYHUDNBSSA-N 416.404 1.997 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)NCc3ccc(C#N)cn3)CCO2)C1 1681738107 BBKCGCZGHAORFS-HXUWFJFHSA-N 401.467 1.875 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3cccc(F)n3)CC2)C1 1686055239 ICUPCZCFXJXKSN-CABCVRRESA-N 418.473 1.811 30 10 HDEE C[C@]1(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCC(=O)N1 1686709930 ZVZNRYCOZQMHRX-HXUWFJFHSA-N 413.457 1.366 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCOCCN(C)C)[C@H]1CCS(=O)(=O)C1 1689991349 ZYURBDNNDUNZGB-SFHVURJKSA-N 423.583 1.141 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1690059430 PTXXVRGSPHZETD-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCNC(=O)c1cccs1 1690099658 GSRSSQFCYYVMKH-UHFFFAOYSA-N 410.503 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc(CC)s1 1690105874 BPBSYRYUZQXRTD-UHFFFAOYSA-N 414.539 1.688 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCSCCCO)CC1 1690119698 OUWUFGFEPAXJTJ-UHFFFAOYSA-N 403.527 1.955 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1690166157 WNDWCONXUJCZPC-MRXNPFEDSA-N 411.487 1.811 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690294714 XIRVKNCVTWQQLO-ZIAGYGMSSA-N 400.508 1.561 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cncn1 1690569584 KBAHHKLSPJXOKS-KRWDZBQOSA-N 410.457 1.853 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCCC)CC1 1690659565 WRAYMWWLFBVBSQ-MRXNPFEDSA-N 406.531 1.504 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(CCC)CC1 1690670462 BVJYGDOFQTUKHQ-KRWDZBQOSA-N 404.559 1.785 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1694722922 IQOODIQBHNNFRC-JOCHJYFZSA-N 407.522 1.907 30 10 HDEE CCCN1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1=O 1695380933 VXLHDXSRTNECOR-UHFFFAOYSA-N 413.482 1.378 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)c1 1697505628 DEAXDJBFVOWVTR-IFXJQAMLSA-N 419.507 1.099 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1NC(=O)CC1(C)C 1698061954 ZGJAGVFTKFSEDS-JKSUJKDBSA-N 404.515 1.453 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1705476338 XPGANOOFWRFDLR-GFCCVEGCSA-N 408.304 1.533 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1705487153 STOMXHZWOXIFSL-IAGOWNOFSA-N 411.506 1.895 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@H](C)C2)CC1 1705631610 KEPKFWKZAPJJRB-MSOLQXFVSA-N 400.527 1.084 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)ccc2OC)CC1 1705637816 MZDLKZBBTRSQAF-UHFFFAOYSA-N 409.469 1.630 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1705640502 UPZXOPRLCWKGMY-FQEVSTJZSA-N 402.587 1.733 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1705734924 FCPNLZUUEZHIQA-QGZVFWFLSA-N 406.531 1.616 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1705834581 NXDFWROLCHVFDT-HIFRSBDPSA-N 412.585 1.875 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1705836905 KDLULFIXWIFNMV-MRXNPFEDSA-N 419.551 1.692 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1705892575 PRFIBGIAAQAMNF-LSDHHAIUSA-N 404.515 1.936 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1706072214 AIFHIZOCSOAGHK-UONOGXRCSA-N 420.477 1.066 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1706659057 DGLHISUNETVCCI-QFBILLFUSA-N 424.571 1.630 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSCC1 1712702244 KJEGAVHWMAFOCB-UHFFFAOYSA-N 421.548 1.431 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722308103 GENISJFJTHZCKK-IKGGRYGDSA-N 410.588 1.611 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722366145 GBIXNSDXONLNNQ-CHWSQXEVSA-N 406.430 1.709 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1722373919 OIDARFJUUOVTTB-NHCUHLMSSA-N 402.495 1.197 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1 1722396521 AETWMRJVODFGJL-IBGZPJMESA-N 405.502 1.968 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCS2)CC1 1722433439 VMUOMPQWKIMJMP-PXNSSMCTSA-N 405.568 1.581 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722626909 HOAKMUVATFFFLL-HNNXBMFYSA-N 400.487 1.280 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CCOCC1 1722701687 AAOKTYBGOGEBSL-UHFFFAOYSA-N 401.515 1.305 30 10 HDEE C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726619399 JXWNBHREZDXXIU-CVTQAYBASA-N 407.478 1.637 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1 1730878479 VSVYHNLYVDGGLQ-QAPCUYQASA-N 401.467 1.788 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740587705 SMOSCZDGBQOIFW-MRXNPFEDSA-N 419.493 1.594 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1740609841 PBJJQMZAPKKYPW-INIZCTEOSA-N 418.519 1.727 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740628926 WNSNVQONUIXDRM-YESZJQIVSA-N 410.540 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)[C@H](C)CCC)CC1 1740693928 RBPAJMHZDHYSQA-GOSISDBHSA-N 409.538 1.648 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740720941 RWQVCXOERHCHLU-LJQANCHMSA-N 423.546 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCn1cc(Cl)cn1 1740733857 MFHVOCYAOACHDG-LJQANCHMSA-N 401.902 1.943 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740899082 FWUBXQJYFWTJJJ-OAHLLOKOSA-N 402.499 1.659 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)Cc1cnccn1 1740954889 IIXDWZJYGUKXOF-UHFFFAOYSA-N 423.477 1.691 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1741129829 HYLVSWILXYPCBJ-MCIONIFRSA-N 413.448 1.709 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1747665956 GSBJPSJMCGSKMZ-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1748759766 OOXFNSSTRAEVKW-FQEVSTJZSA-N 422.489 1.483 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1748814654 IIPAFCPUFXPICE-QZTJIDSGSA-N 424.567 1.963 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCOCC1 1748896869 MVQFWHUBEOPINF-HXUWFJFHSA-N 406.534 1.695 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1748929822 QDKZTJIGSCMCRL-INIZCTEOSA-N 423.564 1.489 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC2CC2)CC1 1748971406 OBQFLACKSIEPFE-UHFFFAOYSA-N 400.527 1.086 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1748971501 SIRWEBJRCGMENO-IBGZPJMESA-N 424.549 1.947 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1749015206 APRCQBTVKKLIAQ-MOPGFXCFSA-N 415.538 1.248 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@H]1C 1749132153 ZEDGJQZASOVWGO-TVFCKZIOSA-N 403.527 1.820 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749210323 HLDCBCDLJZNDSV-HOTGVXAUSA-N 404.515 1.256 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1749283783 CAGUCPQSQVGZRY-IHRRRGAJSA-N 406.936 1.624 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1749626055 KYIDLDOHFZGJRP-INIZCTEOSA-N 404.515 1.174 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C 1749729681 OEZPYLWOTASFRP-HNNXBMFYSA-N 405.524 1.945 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1750007388 KLKWSASRWBNQSG-GHMZBOCLSA-N 424.246 1.719 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C[C@@H]1F 1750342316 FMJLLZXGHXLDSH-PBHICJAKSA-N 418.498 1.646 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1760146734 VGPYWGCCKRHLEJ-HNNXBMFYSA-N 400.483 1.072 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760181751 BBLPWERLSJTMFN-SQNIBIBYSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760192153 FRALLBBKDALOQA-OKZBNKHCSA-N 423.583 1.487 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1760206188 SWROLLBYBCBQFL-QGZVFWFLSA-N 411.531 1.626 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H](C)C1 1760250485 ZXAPNSRQZUTNEE-IXDOHACOSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2cccc(C)n2)CC1 1760257133 PIGZNVBGOOASJJ-IBGZPJMESA-N 412.538 1.703 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1760330217 VSVLLYWDLIQKBR-AWEZNQCLSA-N 414.576 1.453 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCCC)CC1 1760527373 UQMULKYDTQVBLF-KRWDZBQOSA-N 418.542 1.488 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 1760590607 HGXHFFUPOWJNNT-MAUKXSAKSA-N 423.521 1.775 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)CC(F)(F)F 1761238039 HUJOJNPDTBVDDC-ZDUSSCGKSA-N 417.436 1.029 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1761360543 OPRQQMLCWVSULI-BODITIBLSA-N 404.496 1.655 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1766245324 SKADCLKXFYJFSJ-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE CCCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1766252375 ARPQSGWKKJFVPP-FGTMMUONSA-N 421.505 1.499 30 10 HDEE CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c1 1769179170 FYRJRUSVEQSZMN-UHFFFAOYSA-N 423.521 1.759 30 10 HDEE COC[C@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1769295775 YYPXGEOWHXFINH-HUUCEWRRSA-N 405.430 1.579 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccoc1C 1769365796 FDCPTEQUJIAKEX-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1771238920 SBNUMLFOEKKPLS-GOEBONIOSA-N 413.482 1.294 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cn1 1850050444 UMGPRKLSDFOUES-QGZVFWFLSA-N 424.885 1.534 30 10 HDEE Cn1nccc1C(=O)N1CCN(CCOc2ccc(C#N)cc2)C2(CCCC2)C1=O 1853704081 MQILJABRSKNUTM-UHFFFAOYSA-N 407.474 1.968 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCn2ccnc2CC)C1=O 1853788965 XWKDGWVUTIBCPB-IAGOWNOFSA-N 401.511 1.072 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1=O 1853828299 KFHZOSRUNXGVGI-QZTJIDSGSA-N 414.506 1.719 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2c(C)noc2C)C1=O 1853829699 YECQHMXUFXRDQS-QZTJIDSGSA-N 402.495 1.460 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1853846788 MMAZFIBTGRYYFZ-IAGOWNOFSA-N 416.547 1.862 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC4CC(=O)C4)C(=O)C3)C2)c(F)c1 1854164680 OIXXHVIAUYNCPS-SFHVURJKSA-N 412.465 1.312 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)CC1 1854275616 ZZYQJXHQRGBBFY-UHFFFAOYSA-N 402.426 1.347 30 10 HDEE Cn1nc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1-c1cccs1 1855010048 MNVKRXCYDIMQPR-OAHLLOKOSA-N 412.519 1.421 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H](C2CCN(CCCC#N)CC2)CC1=O 1855010796 RMAHYCUAZZPLLA-QZTJIDSGSA-N 424.567 1.191 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1855423920 IKKUSMJVKJPEIY-AEFFLSMTSA-N 411.568 1.464 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3cncc(F)c3)C2)CC1 1855837493 FYIOHVOIHMCYRP-OAHLLOKOSA-N 408.437 1.298 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3nc(C4CCCC4)no3)C2=O)CC1=O 1856293622 QIVWXVLBKAUWBK-HOTGVXAUSA-N 415.494 1.321 30 10 HDEE C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856312635 AGEXXLCNTOALDF-RHSMWYFYSA-N 401.488 1.887 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](S(=O)(=O)c4ccccc4)C3)C2=O)cc1 1856457556 ZOEUPKYICGDKQG-VQTJNVASSA-N 423.494 1.848 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@@H]1CCN(C)C1=O 1857061098 NSABGENGDOAEBI-SJLPKXTDSA-N 414.506 1.578 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccccc1C#N)N1CCN(C(=O)OC(C)(C)C)CC1 1858021757 VGMQGQWAXOPXEK-HNNXBMFYSA-N 408.524 1.778 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)c(OC)c1 1858320516 APVABQHWOMBQTD-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858963836 GMZHILDSYOBAIM-UHFFFAOYSA-N 417.399 1.573 30 10 HDEE COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)ccc1O 1862630413 STMZXNVAZYVNAB-SFHVURJKSA-N 413.382 1.700 30 10 HDEE CCCCCCCOc1cn(C[C@H](C)O)c(CN2CCN(CCO)CC2)cc1=O 1870412552 BXSAHMWWMWHWQX-IBGZPJMESA-N 409.571 1.688 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870666281 FTBZPZLSPDUGHF-UHFFFAOYSA-N 400.454 1.360 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC(Cn3nc(C(C)(C)C)ccc3=O)C2)cs1 1889487546 NZLZIJYACNFDTJ-UHFFFAOYSA-N 415.519 1.685 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)ccc21 1889936689 PXRDCHQGSJQMCP-KRWDZBQOSA-N 412.471 1.704 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(CN(C)c3ncccn3)CC2)cs1 1890509909 QWQAURDYESVGGL-UHFFFAOYSA-N 400.508 1.838 30 10 HDEE [N-]=[N+]=NCCOCCN(CCOCCN=[N+]=[N-])C(=O)CCOCCOCCS 2049382373 JSGPXFXSLCDNFW-UHFFFAOYSA-N 419.508 1.822 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(Cc2ccc(Br)cc2C#N)C1 2054250916 NKWDRSUQTISRHB-UHFFFAOYSA-N 409.284 1.885 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCO)S(=O)(=O)CC1(C#N)CCC1 2174785094 VEQAPAMYXKEBMK-HNNXBMFYSA-N 401.529 1.704 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)CC1(C#N)CCOCC1)C(F)(F)F 2174785576 AMZPGIXQEUDJHV-LLVKDONJSA-N 415.434 1.682 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](C(F)(F)C(=O)O)C1)C(F)(F)F 2184078104 KOXBTKNHWRSAOP-MLUIRONXSA-N 400.222 1.554 30 10 HDEE CO[C@@H](C)CCS(=O)(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186626678 DLYQTVZICSEHDJ-RYUDHWBXSA-N 404.363 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2217477562 XTUUCDMCSCRGPX-UHFFFAOYSA-N 420.271 1.834 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2cccnc2C#N)s[nH]1 2238243961 DIIGMGMXVCUZHJ-UHFFFAOYSA-N 410.481 1.095 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243432066 SSKAVORUZCDUNY-XQLPTFJDSA-N 410.320 1.955 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243677176 SEUQJDRUVSBUGV-CYBMUJFWSA-N 410.276 1.194 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(=O)NCc2ccccc2)n1 2247912122 BUEWJUDQEYMUFC-UHFFFAOYSA-N 409.295 1.735 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247918796 MZXXJHBFNPZXEY-CHWSQXEVSA-N 420.319 1.505 30 10 HDEE C#CC(CO)(CO)NC(=O)c1ccc(I)c(Br)c1 2261460184 ZHCLVYCBXIBNLG-UHFFFAOYSA-N 424.032 1.140 30 10 HDEE C[C@H]1[C@H](N)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355943 IZPAVDFTDLQJJR-GXSJLCMTSA-N 406.766 1.811 30 10 HDEE CN(C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CCC2(CC1)OCCO2 2282023737 QYPDABWBTQPJMO-UHFFFAOYSA-N 403.288 1.534 30 10 HDEE Cc1cc(S(=O)(=O)N(CCN)CC(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282314349 YFYKNAJDXVHJAQ-UHFFFAOYSA-N 402.391 1.961 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@](C)(=O)[C@@H]2CCNC2)OC1(C)C 2282331068 JBJCWAKJRLMLRC-NDHGSNPTSA-N 420.387 1.196 30 10 HDEE C=C(CS(=O)(=O)N1CCC[C@H](CS(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282491878 OYDNGXBIAXFCFP-AWEZNQCLSA-N 407.363 1.260 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3CN)c(Cl)c2)OC1(C)C 2282492426 OTGBAYXEGSPTCV-CYBMUJFWSA-N 400.737 1.751 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCNC1CC1 2282825115 HDYWPRXSFWUSGY-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE CN[C@H](C)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282830414 UCWGXWOFWHCEMN-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE COC[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837565 VRDWRUAEQDVXJT-VXGBXAGGSA-N 402.347 1.144 30 10 HDEE CO[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282840166 LQRAOGIAKUXNJT-ZDUSSCGKSA-N 404.363 1.533 30 10 HDEE CN(C)c1nnc(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 2282863361 QSKUXJDDNSPVKW-UHFFFAOYSA-N 416.359 1.766 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2282875291 NAXITELOUANTRU-OAHLLOKOSA-N 423.340 1.510 30 10 HDEE CC[C@@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402018 GBSBRNSSCKGMJA-NSHDSACASA-N 403.331 1.827 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H]1CNC(=O)OC(C)(C)C 2300231410 WSTHGYHISXOPDE-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C=CC[C@@H](O)[C@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314236686 YCRSVLKSBNSPFY-QZTJIDSGSA-N 406.504 1.794 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCC#CBr)(C(=O)O)C[C@]2(CCCO2)C1 2324773323 NMNPQSXVUGLSPW-SJORKVTESA-N 417.300 1.945 30 10 HDEE CC#CCN(CC(=O)O)C(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2337839935 BDRBZGLVVNZQJP-DYESRHJHSA-N 402.447 1.739 30 10 HDEE CC1(C)OB(c2sccc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c1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1S(C)(=O)=O 2368480453 MGDPOPGSEQEHKR-GHMZBOCLSA-N 400.331 1.056 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C(=O)C1=O 64835498 CFOHIFBJBIWYAN-UHFFFAOYSA-N 411.911 1.350 30 10 HDEE COc1ccc(OC)c([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)c1 102548934 RXFBEAVFCIRKOP-LYHOESIGSA-N 417.414 1.727 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)c3ccccc3C2=O)cc1 111001655 HXAUXNJACHQPLX-KRWDZBQOSA-N 420.450 1.694 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 434794032 MKVUXNAFHMXWAP-BFUOFWGJSA-N 401.492 1.693 30 10 HDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435150777 DSFIWXQSTCMMPQ-UHFFFAOYSA-N 419.425 1.883 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 439048359 CDUDNPQLYJOQCU-UHFFFAOYSA-N 413.503 1.144 30 10 HDEE CN1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@@H]1c1cccs1 444666679 RJRJBVYHUXPCMG-RHSMWYFYSA-N 400.508 1.996 30 10 HDEE C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N1CCC[C@H](C(F)(F)F)C1 447381626 NNIKUTWVJGGHDA-LBPRGKRZSA-N 406.430 1.916 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@H]3CS(N)(=O)=O)ccc21 470541770 CJPAGMYCBOGCLE-INIZCTEOSA-N 419.507 1.554 30 10 HDEE CC(C)[C@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 471386800 XFQFWIIFTAMKSS-YWZLYKJASA-N 424.505 1.663 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1ccc(C#N)c(Br)c1 480948676 HZMREJQFZMSGTF-UHFFFAOYSA-N 413.297 1.720 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2ccccc2F)CC1 507504001 OHDJFJNSUXOUFD-UHFFFAOYSA-N 423.491 1.534 30 10 HDEE Cn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 508130506 LTNPMKNTUISXPJ-UHFFFAOYSA-N 423.502 1.183 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508945364 KRRFOEOPKHKEPQ-UHFFFAOYSA-N 422.533 1.900 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 518302577 GVTPUGQJLSMDHI-GOSISDBHSA-N 412.471 1.414 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2C[C@@H]3CC[C@H](C2)N3Cc2ccccc2)C1=O 518899764 IIDOQVUAYFUJSW-AYHJJNSGSA-N 410.474 1.275 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)CC1 536377253 CIMNWENDAHDHKF-UHFFFAOYSA-N 418.519 1.165 30 10 HDEE CN(CCC#N)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 549522406 DMMNMRWZNWNFFZ-IBGZPJMESA-N 406.552 1.595 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 552584928 AJARNRSMGVWNRM-MRXNPFEDSA-N 400.460 1.750 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@H](NC(=O)c3ccc4ccccc4c3)C2)n1 554297464 LYIRMZDSDCUUBV-IBGZPJMESA-N 417.473 1.907 30 10 HDEE CCOC(=O)C[C@H](O)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 555559879 YRWDICMXDQARMM-HOTGVXAUSA-N 424.295 1.472 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)CNC(=O)[C@H]1c3ccccc3C(=O)N1C1CC1)CC2 555772192 QSEZPDMPAPZQEG-OAQYLSRUSA-N 400.438 1.923 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CCC)C(=O)C1 580178083 HHXSUIJHTHIFHB-UHFFFAOYSA-N 407.482 1.556 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 728534632 OSXAOOJOYDWSIR-UHFFFAOYSA-N 414.506 1.219 30 10 HDEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730141678 KOODTZDYRRTHDB-INIZCTEOSA-N 410.515 1.862 30 10 HDEE Cc1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnn1-c1cccc2c1CCN(C)C2 732648708 TXVRYSUAVXQSMD-GOSISDBHSA-N 405.506 1.376 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 740205711 XFFUBCAFAMLRIY-SFHVURJKSA-N 412.423 1.541 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 741341047 HKALKIOZCOHBGC-ZBXVSCFDSA-N 416.478 1.765 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)OCc2ccccc2)CC1 746713553 WUVHRSPLIOZAMK-UHFFFAOYSA-N 400.460 1.664 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1C#N 747404868 ZLAUKUTXVFGLJU-NRFANRHFSA-N 407.430 1.621 30 10 HDEE C[C@@H](CC(=O)NCc1nnc(C2CCC2)n1C)/N=C1/NS(=O)(=O)c2ccccc21 764359560 VOOGITHGEVDOPV-LBPRGKRZSA-N 416.507 1.216 30 10 HDEE COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780180031 NFWCFWCYZAZCGW-RNODOKPDSA-N 410.467 1.591 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 780930688 DCGMLRFWZZMZHF-MJGOQNOKSA-N 417.462 1.700 30 10 HDEE CC(C)N(CCCNC(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 781401103 XGMUQIPEQJWNOE-UHFFFAOYSA-N 421.519 1.309 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2CCCN2c2ncnc3ccccc23)c1 783067494 XMHPRUFSGQAOTP-SFHVURJKSA-N 407.455 1.975 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 786468988 KRWHQHREWILBNP-SHTZXODSSA-N 408.476 1.811 30 10 HDEE CN(C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787055693 BIBBUBTZBUKRPY-MRXNPFEDSA-N 401.423 1.313 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(Cn3cccn3)cc2)cc1C#N 788460523 GTTTUFDUKWTPIQ-UHFFFAOYSA-N 403.442 1.744 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)cc2C(=O)OC)n1 788695071 CERBGMBKEAJLJZ-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])cc(S(C)(=O)=O)c2)n1 788814902 ISLHPTZNNVQAKK-UHFFFAOYSA-N 420.447 1.117 30 10 HDEE C=CCS(=O)(=O)CCN[C@@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 797584142 KMNUYOYJZBTHLL-JTQLQIEISA-N 411.343 1.348 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 797724213 FQVVTSJZFRHIOG-IGGDJGDASA-N 412.446 1.430 30 10 HDEE N#CCCCCCC(=O)Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 805855075 FHACIIQQDRRQPG-UHFFFAOYSA-N 411.436 1.995 30 10 HDEE CCOC(=O)C(=O)c1cc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cn1C 810082158 FNJNOVUMJZOZNQ-UHFFFAOYSA-N 405.432 1.130 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812384309 JUSRPQQYQJELIE-IAGOWNOFSA-N 418.519 1.818 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@H]1CCN(c3ccc(C#N)cc3)C1=O)C2=O 812515869 QFGGXSZBTJOWLB-QQHGCPPCSA-N 424.457 1.707 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)cc1 812935266 AREKGDKWMNUEFB-QGZVFWFLSA-N 419.482 1.258 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCc2cccnc2C#N)C1=O 813168363 MPSTYNRKWNUNPP-OAQYLSRUSA-N 408.414 1.781 30 10 HDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1nccs1 1084016004 FKTQDAIBTRNMPG-UHFFFAOYSA-N 419.452 1.533 30 10 HDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1nnc2n1CCOC2 1116903334 HHGWJVWYOIINKP-UHFFFAOYSA-N 400.464 1.151 30 10 HDEE CC(C)C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1130148745 KIBZYWVDECCFFK-AWEZNQCLSA-N 423.535 1.845 30 10 HDEE Cc1cn2nc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cc2c(=O)[nH]1 1136546389 HELQWXAOZTVRQX-UHFFFAOYSA-N 404.430 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCOCCCO 1140492392 JCUGCYXADGKPPP-GOSISDBHSA-N 403.479 1.908 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1 1142655705 SNRMMZABGSEANW-NSHDSACASA-N 417.413 1.466 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C1CCOCC1 1148195408 VOXCUWJNFGZPPT-VIFPVBQESA-N 407.311 1.316 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(C#N)ccc3F)CC2)cn1C 1206054590 AHCMYDTYCUFRSC-UHFFFAOYSA-N 406.443 1.278 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(C)(C)CC)cc2)CC1 1224596863 MSMFGBTXHBFSSD-UHFFFAOYSA-N 406.552 1.669 30 10 HDEE CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1226623599 PMSXHHXRUBQUKD-UALQAHIBSA-N 411.911 1.996 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1254546280 QKRDOYZSJKRXJU-SOLBZPMBSA-N 408.520 1.902 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1286275669 TZRYUDVDSZAATO-HOTGVXAUSA-N 410.478 1.927 30 10 HDEE C#CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1286336387 XITAMDJHBXPXKC-LPHOPBHVSA-N 410.540 1.357 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286348818 AEUNJRRZRNYKPD-ROUUACIJSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1286392813 OCUJXTRQVYTAAQ-GVDBMIGSSA-N 403.483 1.421 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1286431899 SIQRXIHDQYGPSP-RBUKOAKNSA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC(=C)Br 1286460444 YPMCCRYLPYSXJV-KRWDZBQOSA-N 413.316 1.925 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC)C1 1286562814 TWKYKWUZTMPVSK-JQHSSLGASA-N 402.499 1.511 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCOC1 1286603754 JXGASZGDHOZWMJ-SFHVURJKSA-N 410.482 1.739 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cn2)cc1 1288090201 AUVJCBJEXUTWPE-UHFFFAOYSA-N 420.454 1.480 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1299333234 HHHIAQTUTISCGR-SFHVURJKSA-N 422.489 1.732 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)C[C@H]1O 1299413010 IXCZUSCDGHGAGB-CGTJXYLNSA-N 411.462 1.213 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300408929 DFSJTFAILFKZNR-QWHCGFSZSA-N 406.430 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCc1ccco1 1300522344 CLPOISISBJZCTJ-UHFFFAOYSA-N 417.425 1.656 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1300618252 BVWWNKSJQNCYJT-JOCHJYFZSA-N 422.489 1.286 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 1300801487 QXTVGYHAUHPGFB-HTAPYJJXSA-N 406.490 1.563 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 1301219318 IQAVTPUJBDNELU-UHFFFAOYSA-N 400.172 1.800 30 10 HDEE CC(C)N1CCC(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1301769510 DREKCQHXLZSWEF-UHFFFAOYSA-N 406.552 1.742 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCCCC1 1303412366 WROUGVXHNLAEEL-QGZVFWFLSA-N 404.515 1.884 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1303441165 JZUMSFSSQMFIND-ZPHPHTNESA-N 415.498 1.033 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1cncc(C#N)c1 1303862611 ZTRSTOSCPREDIQ-PBHICJAKSA-N 401.511 1.795 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1306854206 AMMKWUFOBQUTRZ-MFKMUULPSA-N 406.382 1.053 30 10 HDEE CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)C[C@H](O)CC1(C#N)CCOCC1 1308071007 PKWXBXJSMQBQHQ-ZIAGYGMSSA-N 401.433 1.906 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(CC)c([N+](=O)[O-])c2)n1 1309464801 NFECMDYGCKINBN-UHFFFAOYSA-N 406.464 1.824 30 10 HDEE C#CCCS(=O)(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1309857597 XMPSWKQOIFVZQG-ROUUACIJSA-N 411.568 1.888 30 10 HDEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cn1 1312624684 FLNIGXJLKAJEKU-VIFPVBQESA-N 407.228 1.038 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1312896573 BAONKOOBXVGDKW-RDJZCZTQSA-N 408.524 1.017 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CC[C@](O)(CC#N)C1)C2 1313224477 WBFJXTQHCMNJLD-LJQANCHMSA-N 421.523 1.996 30 10 HDEE COCC1(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1315841126 WLQYUPDOKJBDCO-QGZVFWFLSA-N 416.526 1.726 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(COC)cc1 1316208391 DSSWUWYCSLGNPJ-LPHOPBHVSA-N 415.494 1.926 30 10 HDEE C=CCO[C@@H]1CCN(c2nc(N3CCOCC3)nc(N3CC[C@@H](OCC=C)C3)n2)C1 1320035054 VACCNYMXDGHZOM-QZTJIDSGSA-N 416.526 1.271 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1nccn1C 1347108986 DITIQULECXDNBC-WDHIOAMHSA-N 402.495 1.166 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2c3c(nn2C)CCC3)cc1 1350774962 XGFKGPGISVTIJM-OQKWZONESA-N 401.492 1.974 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)cc1 1354103781 FHYMCAYRHKGGFJ-UONOGXRCSA-N 419.425 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1358875344 NZGIMNDZTWEUDE-HRAATJIYSA-N 403.527 1.647 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1ccnn1 1358954768 VLZMBIHLXGPGHZ-IYBDPMFKSA-N 414.514 1.800 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962221 MHMOFCOTSVEOHL-SFHVURJKSA-N 407.584 1.901 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1359000891 GWBOLISGFKIAAH-OAQYLSRUSA-N 412.494 1.320 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCn2ccnc2C)CC1 1359036771 IMMZIEUHYASQFE-UHFFFAOYSA-N 419.533 1.838 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359101659 QRKDMIRSVYAGTE-BLIXFSHQSA-N 410.522 1.912 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359134952 MMJGOUVJBDUTJI-WBVHZDCISA-N 416.551 1.941 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CC1)C1CC1 1359252657 AZKXDZGRNSHFQI-UHFFFAOYSA-N 404.540 1.872 30 10 HDEE COc1ccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)cc1C#N 1438721284 PPNVLYFSPXZFDR-NRFANRHFSA-N 408.414 1.981 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)cc(Br)c1F 1443533980 FCHDXEZCLXURNX-FYWRMAATSA-N 400.179 1.984 30 10 HDEE CN(C)C1(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOCC1 1444202063 SUACELFYBMCJRI-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC1CCC2(CC1)NC(=O)NC2=O 1449207222 VEHHGBQXXQHHJS-UHFFFAOYSA-N 421.251 1.337 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 1450153188 AKXUQHHZDJEYRZ-ZDUSSCGKSA-N 400.416 1.046 30 10 HDEE C[C@H](c1ccccc1)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(N)=O 1450420556 JJCCNRFEHUPHGW-PXAZEXFGSA-N 403.435 1.510 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1453842136 SNLHILHVRLXSBG-IYBDPMFKSA-N 406.504 1.085 30 10 HDEE CC(C)(C)OC(=O)Nc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1456612876 KLUNCVVBNNENOM-MGPLVRAMSA-N 412.493 1.500 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1459896879 BDYJZLHGBZXSLV-FQEVSTJZSA-N 400.504 1.785 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCc3c(C#N)cccc32)C1=O 1461033115 PAAXHLIHLWAPIS-QFIPXVFZSA-N 404.426 1.923 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3COc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1463166405 ZUAWENDSHOGNKJ-YNZJMPHRSA-N 411.277 1.322 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1463500206 UFWIAGVRERMVPL-QGZVFWFLSA-N 422.507 1.877 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1c(Br)nc2n1CCOC2 1464637870 FETDXCUXTSFAIJ-UHFFFAOYSA-N 403.236 1.791 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1464772464 OSYLQOUDCKOIHH-RBUKOAKNSA-N 406.504 1.842 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1465546319 LJZYEVXOPAOAEN-SFHVURJKSA-N 403.527 1.345 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)C1 1465612784 VSINMFOECWKYTP-YCTJDYOESA-N 403.483 1.009 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2 1467727677 OZJAFHDRGZPQQW-UHFFFAOYSA-N 410.536 1.978 30 10 HDEE CC[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)c1ccccc1OCC(=O)NC 1468086240 BILYPOXMJAKTGZ-INIZCTEOSA-N 416.478 1.751 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)c1 1468739330 XLXJTLXFPCGSHX-AWEZNQCLSA-N 402.476 1.611 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)C1CCC(F)(F)CC1 1469250431 UDTAFIRBESEVLT-LBPRGKRZSA-N 413.446 1.736 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 1469872128 MBDHDYQZSUAWQH-LJQANCHMSA-N 406.442 1.816 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)CC2)o1 1470603709 GMEIFPVUWTUDNQ-CVEARBPZSA-N 419.482 1.168 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1472058872 YUJRQDSJVCGPTO-AWEZNQCLSA-N 404.467 1.900 30 10 HDEE COC(=O)c1cnc(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)s1 1472194024 WZUQGYLXRWPWSV-UHFFFAOYSA-N 422.488 1.013 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1476012874 YSWKYPUDDAXVEE-UHFFFAOYSA-N 421.457 1.976 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1 1479361598 ODDSSDXHBJCMJV-KSVNGYGVSA-N 400.483 1.295 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CCCO1 1494252217 GNLLEWKGDWHXRV-OAHLLOKOSA-N 417.473 1.974 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1Cc1ncn(C)n1 1499145437 HYWQIZRRMHEUOR-UHFFFAOYSA-N 411.901 1.869 30 10 HDEE COCC[C@](C)(O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1504762828 SWDQPEWMRJCKQY-NRFANRHFSA-N 414.510 1.898 30 10 HDEE COCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1505053455 ZWHFMFBITOKCRV-SFHVURJKSA-N 417.466 1.354 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CC 1507523606 NNELLVGOQZPFEO-QFBILLFUSA-N 405.510 1.863 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1507616097 FWBOSPXTLKMQLV-OAHLLOKOSA-N 415.585 1.070 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507631650 ROWOXEOXAHRPSH-WBVHZDCISA-N 416.551 1.383 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1507668284 XOPLXVIFOBGAES-UHFFFAOYSA-N 424.486 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1507670515 OEZDHMVHZFAXLV-UHFFFAOYSA-N 417.510 1.362 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1507822403 VLSWIURBZGKKJO-INIZCTEOSA-N 409.556 1.628 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508062078 KDGMBPTTZRFOHO-CQSZACIVSA-N 414.535 1.951 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCOC2)C1 1508116317 ISMHAXFNHGOCIL-WIYYLYMNSA-N 400.479 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCOC2(CCCC2)C1 1508148696 XRRAJVWHUDMWRJ-MRXNPFEDSA-N 410.540 1.880 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1509805855 NJOFRTHGMCJZLY-VQTJNVASSA-N 422.505 1.629 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1517450105 CGXALJHSUDVBDI-VBKZILBWSA-N 414.535 1.503 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1534310006 JWQRADGCGBNTEJ-JONQDZQNSA-N 404.467 1.601 30 10 HDEE COC(=O)CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1538364207 RPAFIDKDOZVGHF-UHFFFAOYSA-N 405.476 1.171 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F 1539038213 MPVHPLJJHLNCCY-DYEKYZERSA-N 403.405 1.139 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1539147642 IVENRNBVOMOGAD-GOSISDBHSA-N 413.522 1.956 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539221285 ZDYCQYLOXVSMRT-PVPMGCCUSA-N 412.581 1.014 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1Cc1ccccc1 1539259847 IQFGPZCNCKYUNZ-NHCUHLMSSA-N 416.529 1.967 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCOCC1 1539376585 AFTIPMPHGVOCFB-FQEVSTJZSA-N 413.570 1.956 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1 1539415211 BGEQXSDFBFRHKV-QGZVFWFLSA-N 424.567 1.616 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1 1539416890 UKZJJYSPHURPJB-LJQANCHMSA-N 416.547 1.817 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)noc2C)CC1 1539430274 HVYYRQQBCHEOAG-NRFANRHFSA-N 414.510 1.339 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2OC)CC1 1539828918 RAYVYSSSNPHERP-HRCADAONSA-N 413.544 1.096 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cn(-c4ccccc4)nn3)C2=O)cc1 1540216975 NQKHOPGUHAILOI-QGZVFWFLSA-N 415.413 1.983 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1Cc1cccs1 1540861633 AAXUJBNYTQJJTA-OAHLLOKOSA-N 416.551 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1540867131 LWOBKIYCNGGPRA-GOSISDBHSA-N 410.478 1.361 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540902017 XZNZGGOVOOXSPQ-OLZOCXBDSA-N 404.558 1.014 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1540917068 MVMGRDIPLXAAGZ-JKSUJKDBSA-N 414.597 1.962 30 10 HDEE CC(C)NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1541703094 CVXCOMFKEZUYKO-BFYDXBDKSA-N 404.515 1.450 30 10 HDEE CN1CCC(N2CC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1543235069 RCDRNLRMWOUXAX-SJLPKXTDSA-N 407.559 1.858 30 10 HDEE C[C@@H]1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1543651619 HXZWWNJEKRTSKD-NVXWUHKLSA-N 415.519 1.867 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(C)nc2I)CC1 1546286411 DLGBPSLPLIHRMZ-LBPRGKRZSA-N 401.252 1.331 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)COCCO1 1555742784 ISHIPNMNKMHTJE-WFXMLNOXSA-N 419.526 1.938 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@](C)(C(F)F)O1 1557564065 ICOOJZKIXIUHMB-QFSBIZTOSA-N 401.435 1.496 30 10 HDEE CCOC(=O)CC1(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)COC1 1558679871 CKOLOEUPFFUMJQ-UHFFFAOYSA-N 403.284 1.746 30 10 HDEE N#Cc1ccc(N2CCC[C@H](N3CCOC4(CCS(=O)(=O)CC4)C3)C2=O)cc1 1560230256 SLBOHMPUZUDFTG-SFHVURJKSA-N 403.504 1.333 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1 1562623393 GEDXIWDTZNDHBD-HUUCEWRRSA-N 404.492 1.849 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(OC)ccc2OC(F)(F)F)CC1 1565590167 PSCNMVBAVDLFOR-UHFFFAOYSA-N 413.396 1.491 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)n[nH]2)c1C 1566015995 YXHYYHHFHPFTGU-RBZFPXEDSA-N 411.466 1.184 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1566727041 RNULFWOQBAJGJG-GOSISDBHSA-N 402.495 1.249 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(Br)c(F)c3)C[C@H]1CS(=O)(=O)C2 1585139211 SRFQUTVODBPBEH-NHYWBVRUSA-N 401.257 1.527 30 10 HDEE Cc1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)nc2c1c(=O)n(C)c(=O)n2C 1585452737 UGDITYGKFLMHMM-KRWDZBQOSA-N 419.441 1.026 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2c(C#N)c(C)nn2C)C1=O 1585832680 LYDWLEKYOFVOKC-HXUWFJFHSA-N 410.434 1.323 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1587620644 IQNAWZJPEKZSQE-OAHLLOKOSA-N 421.505 1.657 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1588084684 UIIQDUFOBQEMFY-ZIAGYGMSSA-N 411.478 1.397 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc2n1CCCCC2 1588224118 PRWSSSNCPSWUQU-MRXNPFEDSA-N 406.494 1.058 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NCCC)CC1 1588857938 VVFJPPJKQLDDGN-UHFFFAOYSA-N 400.552 1.602 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCn2ccnc2C)CC1 1588967979 DAJHGVBDKMWDMG-UHFFFAOYSA-N 413.526 1.376 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1594949370 YTSCRURTKWJYGQ-IAGOWNOFSA-N 414.510 1.826 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O)C1CC1 1595020504 HCSBYHFVCHSSIZ-DJJJIMSYSA-N 422.555 1.054 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)NC)C1 1595700275 MCOAVVKHIZQUSR-KRWDZBQOSA-N 421.523 1.284 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595879397 WBOHFZMYJJPGIF-ZIAGYGMSSA-N 419.511 1.418 30 10 HDEE C=CCSCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1595906058 XDDJRBMLSDQVNS-APWZRJJASA-N 407.540 1.967 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1598222398 YGPXKDGNKQRANJ-HGHGUNKESA-N 402.543 1.756 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCOCC2)CCOC1 1610903230 MZTUIMLRTQEHPF-XLIONFOSSA-N 405.499 1.474 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1617537525 RPMZNLATUOMTTJ-GOSISDBHSA-N 406.504 1.768 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@@H]3CN(C)CCN3C)ccc2c1=O 1618099226 PEIKXHBSZLHQLB-DYVFJYSZSA-N 401.536 1.235 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 1618707760 BKSRURMQQKSOJE-SFHVURJKSA-N 408.520 1.598 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1620178222 BDDPMCLIGFGXGB-YMGMXPECSA-N 408.503 1.257 30 10 HDEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1622469552 IDTXSFMJWUUJJW-UHFFFAOYSA-N 419.528 1.614 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C1CCOCC1 1623125362 QVNFYJHPNQFDCF-MRXNPFEDSA-N 407.492 1.686 30 10 HDEE C=CC1(CC(=O)N2CCCC[C@H]2CNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1625006199 QHWPJUZSFWKZDO-HNNXBMFYSA-N 415.556 1.730 30 10 HDEE C=CCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1626631962 NRGNZDACQJWKOM-PMPSAXMXSA-N 416.540 1.318 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCO1 1629586726 DVSOIQYKSPDOJM-GJZGRUSLSA-N 411.503 1.120 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(CN(C)C(=O)O2)C1 1630225293 LJWLHFDSHQXCAU-UHFFFAOYSA-N 424.251 1.761 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1630988095 PMRXWTDFZCWQSM-OLZOCXBDSA-N 409.936 1.563 30 10 HDEE N#Cc1cn(CC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)c(=O)nc1O 1631127430 AGICWFBQEOWDOG-ZDUSSCGKSA-N 404.810 1.670 30 10 HDEE N#Cc1ccc(C2=CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1632123954 GMNXGEMCQXQZON-FQEVSTJZSA-N 420.444 1.987 30 10 HDEE COC(=O)c1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c(F)c1 1633829189 SHSXKDXZEDFWCS-UHFFFAOYSA-N 404.419 1.715 30 10 HDEE COc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1 1634585982 XDPXMNPCGXJWTG-LJQANCHMSA-N 415.471 1.445 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@]3(C#N)CC3(C)C)CS(=O)(=O)[C@H]2C1 1636871474 NDZRMBWMSQMAKX-PXWIGAEESA-N 411.524 1.465 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 1637033915 BZPXJHQPMDUIHM-IERDGZPVSA-N 401.463 1.639 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](Cc2nccs2)C1 1637205140 GMXAZGFOEALUIR-UKRRQHHQSA-N 404.517 1.773 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1638430136 FWAMEMIRPOOSKA-GFCCVEGCSA-N 409.936 1.563 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 1640283234 BMQFFHYZBNKVNZ-AEFFLSMTSA-N 416.478 1.279 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C(=O)OC 1642414900 HETYILXIMCHBIC-MRXNPFEDSA-N 406.485 1.521 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1642968891 MVINTYNAWGJJHY-KGLIPLIRSA-N 406.508 1.019 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CSc2ncc(CCO)cn2)CC1 1644176120 GXGNQXXMLGSAJQ-HNNXBMFYSA-N 403.533 1.574 30 10 HDEE COc1ccc(C(=O)NCC2(C#N)CCOCC2)nc1I 1648678349 AOPQXJWYBJOGQS-UHFFFAOYSA-N 401.204 1.745 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1651092295 LGCMAKWIDWRRIP-QGZVFWFLSA-N 422.522 1.701 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1654223720 SWFKMWRMPYJUTL-UHFFFAOYSA-N 411.502 1.665 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1659309085 KNHDQMCDHTVQSO-HOTGVXAUSA-N 418.538 1.592 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F 1661546139 YHNMBRZCOKHAQW-CYBMUJFWSA-N 405.469 1.285 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1 1668210624 VCYIDWRVZVOOQB-NRFANRHFSA-N 416.478 1.084 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 1672485179 QZQKNRAPUQQMLY-HNNXBMFYSA-N 410.540 1.943 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3sc(C)nc3cc2OC)CC1 1674130861 MZKWSXDIQRLORE-UHFFFAOYSA-N 423.520 1.230 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CC[C@H](Oc3ccc(C#N)cn3)C1)CCO2 1676004979 LPRNDMJUEZANQD-NHUHVJRWSA-N 414.462 1.617 30 10 HDEE N#C[C@H]1CN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCO1 1681143243 FGCNKAQPDLJRLN-FQEVSTJZSA-N 413.522 1.292 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H](C)O1 1682315939 AOYHSHUSKCPPIO-VQHPVUNQSA-N 401.515 1.066 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1684256184 WLEXCTLKLKHZJJ-GOSISDBHSA-N 417.506 1.442 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC(O)(c2scnc2Br)CC1 1684304787 SUDQPBPJLLTENO-NSHDSACASA-N 402.314 1.937 30 10 HDEE COc1ccc(CNC(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)cc1C#N 1687437846 MVSRPZUANJPUFV-MRXNPFEDSA-N 406.483 1.936 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1689892998 RPNVDMOUERXANG-NXHRZFHOSA-N 406.552 1.987 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1690083586 IZJYUXFDKRZARV-UHFFFAOYSA-N 422.489 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCC(OC)CC1 1690092554 MVAXSPXBPRXZIL-UHFFFAOYSA-N 403.527 1.805 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1690204305 GGWLHYNKJJBAKR-FDDCHVKYSA-N 420.517 1.960 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690432557 GMMZBQSPNPUSKJ-LSDHHAIUSA-N 409.556 1.449 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1C 1690622602 SYFAQXPYAKZMRP-QGZVFWFLSA-N 411.466 1.606 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690626053 RHCWCGMXNFBBAC-UHFFFAOYSA-N 413.482 1.395 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690649772 SNLBASRNUGVGDY-ZDUSSCGKSA-N 401.496 1.012 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690653253 JHAHRMBVIKMNSD-NQIIRXRSSA-N 416.526 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1690662957 HENQTUDVMFHIRK-UHFFFAOYSA-N 405.506 1.793 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1692469474 SNRVRCVBTVMJMO-UHFFFAOYSA-N 407.522 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705484172 KENPZKKMJGZUAZ-FZKQIMNGSA-N 408.911 1.606 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)SC)CC1 1705639721 VCQQOJYHVZHNFA-OAHLLOKOSA-N 411.597 1.077 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2CCCO[C@H](C)C2)CC1 1705643191 VREULMXGWHFYLT-LJQANCHMSA-N 404.559 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)C(=O)NCC)CC1 1705644500 SKDNIYNKVHJZRU-MRXNPFEDSA-N 416.570 1.920 30 10 HDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1705741834 APLYECJBBJWQGL-SFHVURJKSA-N 424.505 1.238 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1COCCO1 1706315535 CXKUJDDDLRTWRG-JKSUJKDBSA-N 412.498 1.194 30 10 HDEE CCCNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1709835044 FADOZYXGQFJICW-KRWDZBQOSA-N 422.493 1.162 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722335576 FPRVAQFTLLEPKI-HUUCEWRRSA-N 400.508 1.985 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1722349769 ADPPRWGPRLKHNS-UHFFFAOYSA-N 417.539 1.080 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722362000 QQXDRIHPVOJIRE-RZQQEMMASA-N 417.535 1.451 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1COc2ccccc2O1 1722374010 PQUUOFRUXYQCMV-ZWKOTPCHSA-N 410.474 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(C)(=O)=O 1722388852 AFRPIDYDZGQZDO-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H](C)C1 1722389867 NAGOBHUMGAJDDD-IXDOHACOSA-N 407.540 1.166 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCOC1 1722426984 JAZJXFPWJBLGCB-LZJOCLMNSA-N 406.527 1.434 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1722471171 AFNVSXMAIBGLFE-KBXCAEBGSA-N 405.524 1.189 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1)C1CC1 1722651636 WVOLNSYRQFWMHO-MRXNPFEDSA-N 422.511 1.111 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722699098 RHISOZAVYUXFKK-QGZVFWFLSA-N 411.506 1.964 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722699733 XSYAJQCUVYJMMJ-KBPBESRZSA-N 417.432 1.632 30 10 HDEE CC(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723416692 HAEIFKAPPJMXCR-ZWKOTPCHSA-N 415.542 1.468 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1726802075 MMBXWRDMSTVIRE-SUMWQHHRSA-N 423.315 1.936 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1728541719 NVXFPTDFLKXXLS-SFHVURJKSA-N 411.401 1.955 30 10 HDEE Cn1cnc(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)n1 1729590923 HOININFNIVHRFD-GOSISDBHSA-N 400.393 1.615 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCc1ccccc1 1740534017 WFYRHIWFSTWGLG-CVEARBPZSA-N 405.524 1.563 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2ccccc21 1740640315 KKYZQOYECAGKHE-RBUKOAKNSA-N 408.527 1.983 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1740657807 YSCVWNBIGCYZLJ-GOSISDBHSA-N 419.551 1.430 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N(C)C 1740658033 FMSVTVPYRXYFQF-UHFFFAOYSA-N 412.519 1.211 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(CC)C2CC2)CC1 1740693219 VAPRFIDNEGDBKL-JOCHJYFZSA-N 416.570 1.170 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1740731086 OSVHYSKCTRMXRQ-WOCWXWTJSA-N 422.551 1.224 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740793619 UVMSCENWGTXKLC-ULQDDVLXSA-N 405.499 1.206 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC=CCO2)CC1 1740825232 KQZZHWYUYIHHCE-DLBZAZTESA-N 423.539 1.113 30 10 HDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1740874331 APDSQPDIRGESNX-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740885617 KSGBQVYGFGRARB-DLBZAZTESA-N 404.515 1.174 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740888822 WQQLRXXDZRCVGA-RCCFBDPRSA-N 424.567 1.778 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1740926393 WNLZAJRWSSRYFZ-HNNXBMFYSA-N 416.507 1.539 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCCCO1 1740990301 PZAWFVSRCYSCBX-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740995104 AAQIYVFXLJKUGR-OAHLLOKOSA-N 421.571 1.376 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1741002503 JEKNRFHNOJBEPN-GJZGRUSLSA-N 414.597 1.961 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 1741921644 MMAMOMGYCRQFBN-CABCVRRESA-N 410.544 1.587 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC(CC#N)CC3)n2Cc2nnn(C)n2)c1 1742373179 HDXGNHBGRDRTMY-UHFFFAOYSA-N 407.482 1.867 30 10 HDEE CCN(C)C(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1745898126 QDROQPYUWUGGSV-RBUKOAKNSA-N 408.478 1.239 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccncc2)CC1 1748979355 XVWRKGVMCRXTPA-JOCHJYFZSA-N 410.522 1.323 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749040434 WYVVIYJGDUDUHR-INIZCTEOSA-N 405.549 1.254 30 10 HDEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1749418145 YOARJOOKSVWZHA-MRXNPFEDSA-N 414.897 1.712 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@@H]1C 1749482199 CZSRBTPTROAOSB-AUUYWEPGSA-N 420.539 1.400 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC)C1CC1 1749508305 NQGVKQZDOHVOTF-ZDUSSCGKSA-N 406.512 1.495 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)nc2)C1 1749694659 UKLREWSNPBXENW-INIZCTEOSA-N 400.483 1.650 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)C1 1749697143 HVIUOYVJSNEZAM-GHTZIAJQSA-N 416.526 1.976 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)c1 1750380993 FIQXIHYHZWALAP-GOSISDBHSA-N 421.505 1.435 30 10 HDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750718479 AYYXWOKWMSYPOM-JSKCELRFSA-N 402.499 1.617 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760154810 JILYGWARALFKEM-KRWDZBQOSA-N 419.551 1.042 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1760179510 HZIFLLHCCXIMGP-OAHLLOKOSA-N 404.492 1.370 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1760187050 SZPHWMKGCLUJEZ-CVEARBPZSA-N 416.503 1.307 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1760189933 RYUPKSQPSJBDRN-OAHLLOKOSA-N 418.548 1.281 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1760199049 NKXLSOMWNFCAPJ-UHFFFAOYSA-N 414.425 1.289 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCCOC 1760200484 KIALZJGXFAPERW-UHFFFAOYSA-N 404.474 1.825 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@@H]1OC 1760209089 UVQPMDZQVWPVGE-HKUYNNGSSA-N 415.538 1.711 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1760227314 BJQZDSXMZLUYBU-JITJBCMDSA-N 406.527 1.708 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1760257323 UCRQMDJXSWTRQT-SFTDATJTSA-N 405.543 1.092 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2)CC1 1760515256 UGDJLPYVIGLISX-UHFFFAOYSA-N 423.521 1.143 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCc1cnccn1 1760517587 RBLVFCNQFGESQJ-UHFFFAOYSA-N 422.449 1.624 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](COC(C)C)C1 1760520805 AAKCZLVXOUCXSR-QGZVFWFLSA-N 414.510 1.581 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCNC(=O)CC1 1760552044 AAYNBCQFIBZHRZ-UHFFFAOYSA-N 407.471 1.011 30 10 HDEE CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760823986 XYHCONSOLPUPIL-SFHVURJKSA-N 419.489 1.320 30 10 HDEE CCC[C@@H]1CN(c2nnc(COCC)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763983356 UQFHAFLAIZBKOW-RAJOGRCSSA-N 418.498 1.346 30 10 HDEE CCCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1766240588 HNOMQEHISRJIMH-KRWDZBQOSA-N 414.466 1.217 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766347619 GWZYWCLYQFHONR-RAJOGRCSSA-N 402.499 1.967 30 10 HDEE CCOCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CC1 1766513538 XYNSVSLPTMCNDK-DYESRHJHSA-N 419.526 1.866 30 10 HDEE CCOCCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1768186257 QLOJQVNJSUCXPC-UHFFFAOYSA-N 421.505 1.935 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)cc1 1768745239 TXXQLUWFXZMOFP-GOSISDBHSA-N 401.467 1.757 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1769365863 HDQUDACTMNFBBT-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE CNS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1769375035 GXEWKOBIFWBEGR-LJQANCHMSA-N 420.514 1.445 30 10 HDEE COc1cc(OC)cc(N2C[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)c1 1772790250 LVOUFGOQENBHBS-GFCCVEGCSA-N 410.382 1.811 30 10 HDEE C=CCN1CCN(C(=O)COc2ccc(I)nc2OC)CC1 1850563359 PYAUWBZJGNOOOH-UHFFFAOYSA-N 417.247 1.404 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(c3nc(O)c4c(n3)CCCC4)CC2)cc1 1851312127 MMPRWBLZJFSJHM-UHFFFAOYSA-N 406.490 1.888 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl)CC2 1851411594 PILFJUFQZMINBM-MRXNPFEDSA-N 419.894 1.673 30 10 HDEE Cn1nccc1[C@@H]1C[C@@H]1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851635135 MKHHMIHZZBVKKU-OLZOCXBDSA-N 420.926 1.871 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)CO2)nc1 1852469115 VZZKXSWMISTPKS-SJLPKXTDSA-N 410.405 1.804 30 10 HDEE CC[N+]1(C)CCC(N(CCS(=O)(=O)N(C)C)C(=O)c2cccc(C#N)c2)CC1 1853566538 LNLYVTCALCLVKL-UHFFFAOYSA-N 407.560 1.521 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(OCC(C)C)nc2)C1=O)[C@@H]1CCN(C)C1=O 1854209278 GKMNPUBJYZFTFU-MSOLQXFVSA-N 414.506 1.576 30 10 HDEE CN(C)CC(=O)N1C(=O)CCN(S(=O)(=O)c2ccccc2C#N)c2ccccc21 1854234894 WFSHCNVHXSOUSB-UHFFFAOYSA-N 412.471 1.578 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854957984 RMJSYEGRKRQFSH-QGZVFWFLSA-N 408.462 1.280 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3cn4ccsc4n3)C(=O)C2)C1 1854978454 AAQVERVLSDKFSB-NVXWUHKLSA-N 414.535 1.376 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855724069 UCBJJQXHZDDXTC-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(C(=O)c3ccc4c(c3)OCO4)C2)C(=O)C1(C)C 1856122132 RGZZWJCKFOWLES-UHFFFAOYSA-N 413.474 1.513 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2)CC1 1856150864 QPXSGXNCSUERMZ-ROUUACIJSA-N 409.490 1.578 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC4(CC3)C(F)(F)C43CC3)CC2=O)CC1=O 1856486101 FYSKOHKELZBQRK-HOTGVXAUSA-N 421.488 1.907 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@@H]2OCCc3ccccc32)CO1 1856782536 DNYWFUZVMAIBCJ-VQIMIIECSA-N 414.439 1.720 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1856828794 WKFMDYISOJPBGV-ROUUACIJSA-N 420.554 1.707 30 10 HDEE Cc1ncc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c(C)c1C 1857043450 RHBZFHSSXZISAK-QGZVFWFLSA-N 418.519 1.561 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C1(C)C 1857085042 ZLVCPZUFQUUATM-CQSZACIVSA-N 416.547 1.794 30 10 HDEE Cc1noc(C)c1CN1CC[C@@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1857323130 UGGUOYGWEGAHKV-GOSISDBHSA-N 408.462 1.117 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C(C)C 1857347662 UIIPOAOHCPGPLK-KRWDZBQOSA-N 419.503 1.166 30 10 HDEE CCn1cc(C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)c(=O)c2ccc(C)nc21 1857369742 NYVZZEHLGWXXJN-GOSISDBHSA-N 407.474 1.702 30 10 HDEE Cc1ccc(=O)n(CC(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)n1 1857405893 FVYRSGRBUIBQQF-UHFFFAOYSA-N 411.437 1.212 30 10 HDEE O=C[C@H](O)C(=O)N[C@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866087329 AKMPOQXDORLIMC-MOPGFXCFSA-N 413.426 1.298 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3ccccc3)cc2C1=O 1870098073 LPGYGSDIAMHSDM-UHFFFAOYSA-N 408.399 1.166 30 10 HDEE N#Cc1nnn(-c2ccc3cc[nH]c3c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144194 RPSJYDFNNJWWAW-UHFFFAOYSA-N 411.381 1.855 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CN3CC(=O)N(CC)C3=O)cc21 1890103081 FCZIZNIXTRHVLI-UHFFFAOYSA-N 414.462 1.847 30 10 HDEE CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1cccc(C#N)c1 1890246045 VMTHQYACVHCYDF-UHFFFAOYSA-N 423.502 1.773 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)c1 1891255182 LMKDKDXCUUZMEL-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1985097078 AFFGOGJBJXRJKB-RMEBNNNOSA-N 410.320 1.811 30 10 HDEE CCc1ccc(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)s1 2110095397 CHMJABCQAYORAY-UHFFFAOYSA-N 401.344 1.684 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCC[C@H](C#N)C2)CCOCC1 2174784210 LPTSUYLRJNDHOU-CQSZACIVSA-N 402.517 1.130 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174790157 ZJXSSXWXESICRK-RYZVSIALSA-N 414.509 1.655 30 10 HDEE CN(CCOCCNS(=O)(=O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C 2174790176 ZQECHLAZGXDIAM-UHFFFAOYSA-N 405.517 1.110 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2188791228 PRNIFNQNZZVEQH-RDBSUJKOSA-N 403.501 1.554 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2195307147 OVXUQXZWWJOFAU-JHJVBQTASA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195308265 VUONUCVURREHGY-JTQLQIEISA-N 404.485 1.366 30 10 HDEE CO[C@@H]1CC[C@@H]1CS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2239423549 REWGHFMWNVSSNM-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243423661 CSVCHZNOYZSLED-RYUDHWBXSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2243431189 DQFMZNVRLDJWAG-AJNGGQMLSA-N 410.320 1.955 30 10 HDEE C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247824384 SBOKZJYYCKJYJI-HNNXBMFYSA-N 414.315 1.528 30 10 HDEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247935949 QSYMZDDNWAGUHI-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE C=C1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258150805 GKXMRYMDLVXKOF-KRWDZBQOSA-N 410.492 1.873 30 10 HDEE CSC[C@](C)(O)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281994257 MRVSKROSFGGUAK-QGZVFWFLSA-N 400.737 1.878 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NCC2(S(C)(=O)=O)CCC2)OC1(C)C 2282025900 VHOLVNCRQZGVGF-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE Cc1sc(C(=O)N2CCS(=O)(=O)CCO2)cc1B1OC(C)(C)C(C)(C)O1 2282054331 PHJFIQZHRWNQLJ-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(C)(O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282314552 BAQKHMFJQQOCPQ-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CN(C)C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331992 USASFCBCURCARP-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CN([C@H]1CCC[C@H](N)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333560 QDGIYJZUJSINBV-KBPBESRZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(F)(CN)CC3)s2)OC1(C)C 2282337641 MJDLQPWDHCNOGP-UHFFFAOYSA-N 404.338 1.499 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494917 FDLFNPRUJUWCDH-RUZDIDTESA-N 421.777 1.638 30 10 HDEE CCC(=O)NCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498178 ZYHSNQFVXRYNPL-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](CO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282499338 CCCMDUMJUQSCEF-ZDUSSCGKSA-N 401.359 1.713 30 10 HDEE CCc1nc(C(=O)NCCCC[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282508863 CDLMUWCMOATQRB-AREMUKBSSA-N 400.375 1.893 30 10 HDEE CCN(C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](C)CS(C)(=O)=O 2282632247 JAWHJJZHMQJKQH-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CN(C)[C@H]1COC[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282638830 SBYJYCCENPEXGU-RYUDHWBXSA-N 400.737 1.760 30 10 HDEE C[C@H]1CCOC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282827766 CYVWCFKQEQGISI-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840810 PUUHNUNFSSJPPD-CHWSQXEVSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3COCCO3)s2)OC1(C)C 2282861959 WUVAOSOYLGKAEW-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282868837 SZCIFLQNQRFYBC-JOCQHMNTSA-N 401.359 1.971 30 10 HDEE CC[C@@H]1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282880627 LPWWKALDNDYDIG-CHWSQXEVSA-N 400.375 1.856 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1C(=O)O 2284403015 QIYHLCIWWIILGB-LLVKDONJSA-N 401.315 1.593 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CCF)C(=O)O 2284414343 GSEJZCYGCBJRQF-SNVBAGLBSA-N 407.294 1.447 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@@H](CSCC(=O)O)C(=O)O)C1 2288508734 YXWWNDUYYMYTCM-NSHDSACASA-N 402.469 1.235 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2290383592 MTNHVASVMNCRGU-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE C#CCOc1c(I)cc(C=C2NC(=O)NC2=O)cc1OCC 2293677384 OWCPRYODJLBMFH-UHFFFAOYSA-N 412.183 1.882 30 10 HDEE O=C1CSC(=O)N1CCNC(=S)NN=Cc1ccc(Br)cc1 2330399683 WVJOBURTMRIOOE-UHFFFAOYSA-N 401.311 1.943 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338561954 FXTVWLHVMSEKDB-UONOGXRCSA-N 401.554 1.583 30 10 HDEE CC1(C)C[C@H]([C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365171669 MURTUBDRPADMHH-KFWWJZLASA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@H](O)C#CC(C)(C)S(C)(=O)=O)OCC12CC2 2365191418 NVUXXVWSEFRVTA-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE Cn1cc(C#C[C@H](N)[C@H](O)c2c(Br)cncc2Br)cn1 2366118169 JDDZZDVFONQZCY-AAEUAGOBSA-N 400.074 1.753 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2367793660 WOOGHESWCUURER-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 2367800460 JQMCTOBMQACUHB-MCIONIFRSA-N 406.495 1.951 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1(NC(=O)OC(C)(C)C)CC1 2367816476 JXBHZEWIUZCQRH-CABCVRRESA-N 400.541 1.353 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc([C@@]4(C)NC(=O)NC4=O)c3)cc2C1=O 53283597 LOXZSEWHGSSKGK-JOCHJYFZSA-N 418.409 1.776 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cn1C 64818957 GEVUGAHXEVIFGC-MRXNPFEDSA-N 416.459 1.475 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3C(=O)[C@@H](C)Oc4ccc(N)nc43)cc21 96496158 DRHUXZBVAIMTAI-CHWSQXEVSA-N 422.441 1.961 30 10 HDEE C=CCCCO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 223257097 RUZLEKUIXNODKZ-NTZUZEMLSA-N 416.423 1.052 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)CC1 426614031 XOKSFPXQLFVXTE-QGZVFWFLSA-N 418.519 1.676 30 10 HDEE CCn1nc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 427991368 JVLMQGOLECJUIJ-UHFFFAOYSA-N 415.519 1.467 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 461318267 QNIZIVKCXJZQHV-UHFFFAOYSA-N 416.488 1.544 30 10 HDEE CN1[C@H]2CCC[C@H]1CC(NC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 463914425 GPVHWVBTCKXCKS-FHWLQOOXSA-N 409.490 1.895 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 464415817 BPNZUNPVQMROAH-HNNXBMFYSA-N 420.535 1.320 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 476032279 JHWQWLPPNMSABL-UHFFFAOYSA-N 424.523 1.019 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N(CC#N)CC(=O)OC 485961923 JXTAWBSEYORCJR-UHFFFAOYSA-N 421.269 1.162 30 10 HDEE COc1cc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1OCC(=O)N(C)C 489115495 VOCMAWYNHIZKSY-UHFFFAOYSA-N 418.475 1.216 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 489986342 PTGUAZYFROGKND-IAGOWNOFSA-N 423.477 1.041 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)F 498847423 XRXZKKHKIRISLA-DZGCQCFKSA-N 414.478 1.413 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 501885109 FKPOQJSYWVYAJU-OAQYLSRUSA-N 424.526 1.723 30 10 HDEE CCOC(=O)Cc1nnc(NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 502137888 CPODJDCYKZMOID-UHFFFAOYSA-N 401.452 1.264 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC1 503641989 JNGLMBCYWSRRPN-UHFFFAOYSA-N 412.490 1.279 30 10 HDEE N#Cc1ccc(OCCNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 506257047 CAKDWKGELRMJDW-AWEZNQCLSA-N 409.489 1.133 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 511122804 ISCXUYJYLVYJAP-KRWDZBQOSA-N 416.507 1.038 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)N3CCOCC3)c2C#N)C1 526841198 FQQJFZGZXZFPHE-KHXSAUHESA-N 409.533 1.291 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N3CCCC3)cc21 526842298 BTGCMJRIGZENKR-HJFSHJIFSA-N 404.488 1.540 30 10 HDEE CCc1noc([C@H](C)N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n1 539160429 CCSHINBOWGBTDK-ZDUSSCGKSA-N 414.470 1.125 30 10 HDEE CCCCn1c(=O)nc(O)c2c1nc(CN1CCN(c3cccc(C#N)n3)CC1)n2C 546213032 KACQGUMIQCQBSJ-UHFFFAOYSA-N 422.493 1.225 30 10 HDEE C[C@H](C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)n1cnc(C#N)n1 569993274 HWIOEFWZJNZDCB-ODXCJYRJSA-N 407.434 1.252 30 10 HDEE COc1cc(CNC(=O)NCCCN2CCN(c3ncccn3)CC2)ccc1C#N 583845607 XCOPODIEBLSVLY-UHFFFAOYSA-N 409.494 1.368 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)N3CCN(c4ncccn4)CC3)C2)c1 585985480 QVVVJLIGLXHBNM-LJQANCHMSA-N 419.489 1.485 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC4(CCOCC4)C3)CC2)cc1 590334075 BBZCUDDVFCXFIL-UHFFFAOYSA-N 403.504 1.598 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1C 595529800 RRPKKVOUOASMDR-UHFFFAOYSA-N 423.538 1.487 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 600404264 INFZDPRUCOIVLH-SFHVURJKSA-N 407.536 1.478 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1C#N 604001726 PTWRWJIMHZFCPB-UHFFFAOYSA-N 420.881 1.673 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@](F)(C#N)C3)nnc12 615824321 GGVZZDSOUBUCQI-LJQANCHMSA-N 412.450 1.786 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 727092750 ZTHAEYFCESIRFQ-UHFFFAOYSA-N 408.178 1.469 30 10 HDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730141783 PCLLDMAESAHYDP-QGZVFWFLSA-N 419.551 1.131 30 10 HDEE CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CCC(=O)N1CCOc2ccccc21 731768338 HFEKXXOIVQBTAF-INIZCTEOSA-N 401.463 1.832 30 10 HDEE CSCC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 732647597 GSSKDIRUFPZHRK-BRSBDYLESA-N 418.563 1.482 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCN1C1CC1 732706220 LFAPGDIXIIUIJI-CYBMUJFWSA-N 415.400 1.973 30 10 HDEE C[C@@H](CC(=O)NCCNC(=O)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 742512383 GKXSNEMPSGSMMT-AWEZNQCLSA-N 414.487 1.050 30 10 HDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746125274 PNELIZKYZAUMIR-QQMHEVNUSA-N 412.446 1.541 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)cc1C#N 747495654 PYBJKAUNXUHMLQ-UHFFFAOYSA-N 401.444 1.366 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758644825 NCAHOPUJWKWSSP-HIFRSBDPSA-N 423.491 1.819 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)c1 762610918 GHKHKKXHAVDCGE-QGZVFWFLSA-N 417.487 1.634 30 10 HDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898549 FWDVCHKCVAQBFY-UHFFFAOYSA-N 419.572 1.939 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)cc1 773971071 MECROVKJKQOOHE-HOCLYGCPSA-N 409.508 1.748 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 775880554 QTDTUGTUBZPFEJ-SQWLQELKSA-N 412.446 1.554 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CCN1C1CC1 779622665 OIMLNSGKRNSSEH-RTBURBONSA-N 402.520 1.293 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780254235 BQXRPVHCRRODJK-NHCUHLMSSA-N 417.462 1.670 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@H]1[C@H]2OCCC[C@@H]21 780334478 QRZYZJNHKBJYRX-KYJSFNMBSA-N 411.414 1.335 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C(=O)OC(C)C)CC3)CC2)c1C#N 788324089 QXTFSYOGDKSVLL-UHFFFAOYSA-N 417.514 1.441 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)n1 788812748 CAPSPPIVNNMYEQ-OAHLLOKOSA-N 416.428 1.823 30 10 HDEE Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 789490323 BCTGJMZZXFJUPU-CQSZACIVSA-N 414.416 1.503 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)c1cc[nH]n1 789963072 HAYFBEFFXHUURY-WMLDXEAASA-N 400.435 1.682 30 10 HDEE CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 803786080 BJWYNMPNQBKEAB-VHNWJRSRSA-N 419.503 1.614 30 10 HDEE Cc1ccc(N2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 810180910 QEGWAMMIWRBNDB-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 810986459 AGRRHFVPRRIDBN-OAHLLOKOSA-N 416.459 1.318 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812056225 GVKKXEPQNHLQOS-MOPGFXCFSA-N 414.531 1.651 30 10 HDEE Cc1nc([C@@](C)(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817623554 LKWPKSZLZYZCNB-IBGZPJMESA-N 417.491 1.638 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1139176124 SMJKODQEDURFOP-DYESRHJHSA-N 404.463 1.896 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C(C)=C\c2ccc(OC(F)(F)F)cc2)CC1 1157008713 BMFHCYKDSQLKPN-SQFISAMPSA-N 409.408 1.882 30 10 HDEE C#CCN(CC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1)C(=O)OC(C)(C)C 1157849742 RWKRNAUWQWJEDC-ZIAGYGMSSA-N 417.428 1.726 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1C#N 1158939364 CAZOEPZRKXHDBN-HOCLYGCPSA-N 419.503 1.710 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)ccc1F 1160948906 RAFMSFXADHZINN-UHFFFAOYSA-N 416.438 1.646 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CNC(=O)c1ccccc1OC(F)F 1170961794 FMOOHAFFXVNRPK-UHFFFAOYSA-N 420.376 1.088 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCCCC1 1171874468 GALRTQYVDSAVKQ-UHFFFAOYSA-N 404.536 1.841 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 1176044506 NEVAESVVADBIHC-JOCHJYFZSA-N 413.543 1.949 30 10 HDEE COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176709996 MSQQQBKXAGHIEX-OFQRWUPVSA-N 402.394 1.790 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1212241323 HSLOEHFTFUBIJY-GJZGRUSLSA-N 402.538 1.853 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CC1 1255299375 FEJWEQJBSQVMGX-QGZVFWFLSA-N 421.538 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1286305985 PYWJUEBHYIDIMF-UKRRQHHQSA-N 423.564 1.936 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286336632 VUYHQEASEKHXTO-UHFFFAOYSA-N 415.542 1.511 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286338305 LFIIIDASZWDQTP-MSOLQXFVSA-N 423.521 1.496 30 10 HDEE C#CCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1286347139 IRLLCEFYQMGUFX-LJQANCHMSA-N 406.490 1.801 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286392152 HWHOECVXPXDJMX-UZLBHIALSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)N1CCCC1 1286432717 VFOIQUHCIGLHGN-FQEVSTJZSA-N 410.566 1.984 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)N(C)C 1286460119 USMIUVXNODTZKW-UHFFFAOYSA-N 421.505 1.900 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286493458 BJDWZAHCBXYHII-OAHLLOKOSA-N 405.524 1.270 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1286494225 STUYLRCVTHOLOR-SJLPKXTDSA-N 414.554 1.231 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1286494227 STUYLRCVTHOLOR-WMZOPIPTSA-N 414.554 1.231 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1286509383 POIGKOBFPSMDCQ-CVEARBPZSA-N 424.592 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC1CC1 1286515393 IPANKPAMRWDRBW-RTWAWAEBSA-N 401.511 1.449 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286700535 IZQJIPWFDYOGSY-MRXNPFEDSA-N 424.509 1.016 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1286713310 DJBPNXJGCOIMRR-HNNXBMFYSA-N 420.539 1.766 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(C)(C)C)CC1 1286788547 YJIOUQMLSFUNCO-QGZVFWFLSA-N 404.559 1.785 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286789605 GFMWAXQERYDPKZ-WMZOPIPTSA-N 413.526 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC)C1 1286810843 WMZRPJXNOGGUDA-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3csc(CCC(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1289203848 HZOLVUWMXXTNQL-HZMBPMFUSA-N 407.439 1.577 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1(C#N)CCSCC1)CCS2(=O)=O 1289581460 ACNVEJMBAXEGLW-UIORMTCPSA-N 400.522 1.039 30 10 HDEE CC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293587537 POGUBGKEAWCYFA-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE C=CC1(CC(=O)N2CC[C@H](n3cc(C(=O)OC)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1296091366 WBGDZQXFOQANFE-AWEZNQCLSA-N 419.482 1.651 30 10 HDEE CCNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1296318338 HOHWFTVFWXOLHT-UHFFFAOYSA-N 409.494 1.990 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1299108633 DKZXFILQFWWOFF-UHFFFAOYSA-N 419.493 1.461 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300423875 AHOXJGYCGBIVCA-WFXMLNOXSA-N 406.527 1.972 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C(N)=O)CCCC1 1300458462 HWGUFDCTYNVALD-UHFFFAOYSA-N 422.537 1.567 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300468331 ZDJMLFHTRUYIRY-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1300531856 IEYRQGYYDVGEAE-UHFFFAOYSA-N 406.446 1.066 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CCCCC1 1300534808 FJOWUCYLOXKADW-HXUWFJFHSA-N 411.550 1.890 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@H](C)C1 1300602909 VJEATOPHWKIVDB-ULQDDVLXSA-N 410.588 1.468 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 1300634390 RTNWRTSLQCSHLF-QGZVFWFLSA-N 413.499 1.615 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2[C@@H]2C[C@H]2CF)CC1 1300689468 VPWFOJBAVOJWFY-FUHWJXTLSA-N 417.510 1.634 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300808950 YSNMEOUKGLPAMV-AUSIDOKSSA-N 422.533 1.751 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300993550 BYOMPINXQOMGDN-MOPGFXCFSA-N 410.522 1.819 30 10 HDEE C=CC1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC)CC1 1301126586 WVQASGFWBHWOPA-UHFFFAOYSA-N 424.553 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(F)c1 1301567876 MNXZPJYLMYNALX-UHFFFAOYSA-N 423.514 1.793 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1([S@@](C)=O)CCC1 1301810240 USMWNNGZIYCKIV-DEXQXJORSA-N 409.556 1.840 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cccn1 1302311522 MEAPBRPWCGVKFV-ULQDDVLXSA-N 401.471 1.018 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1302836477 KTOKLUFYBLLTNV-KBPBESRZSA-N 415.918 1.512 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc3ccc(C)nc23)CC1 1302925118 XLMMHLJYVUAPSO-UHFFFAOYSA-N 406.895 1.422 30 10 HDEE Cc1cc(C(=O)NCCN(C)CCS(C)(=O)=O)c(C)n1-c1ccc(C#N)cc1 1303238067 GYLQPQVSSLOHLX-UHFFFAOYSA-N 402.520 1.672 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(CO)(NCC3CC3)CC2)CC1 1306866359 DLYJQBAODTWGLR-UHFFFAOYSA-N 419.566 1.990 30 10 HDEE CC(C)CN(CC(C)C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1307378692 LJFAUOKJPRMVQB-UHFFFAOYSA-N 420.510 1.364 30 10 HDEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1307952914 XNWGRMXHYYBOQP-OAHLLOKOSA-N 411.524 1.335 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1309487054 BXOFILKEVFABIH-NSHDSACASA-N 417.406 1.106 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1 1314260106 VLYSXEDKOWMJLD-XAUUPUKJSA-N 418.885 1.652 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1CCOCCS(C)(=O)=O 1314728795 FMTGRDNILVVNRH-UHFFFAOYSA-N 403.508 1.725 30 10 HDEE C[C@@H](CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)N(C)C(=O)OC(C)(C)C 1338931079 CXMQSYBRDCUIHF-PVEMMZBWSA-N 409.487 1.458 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ncoc2-c2ccon2)c1 1355983638 FXECHAMHWKYIFI-UHFFFAOYSA-N 406.398 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1358872405 UIGITQPYVXHRBM-LSDHHAIUSA-N 418.523 1.375 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1358919223 WLQMRXLHTQBHJT-INIZCTEOSA-N 407.540 1.331 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1358930161 PMZSKDNTRGKELQ-SJORKVTESA-N 409.556 1.507 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@](C)=O)CC1 1358937899 KSWCZERPOCVJIR-NDEPHWFRSA-N 419.938 1.842 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1358976454 FJGZSLTWKOBYAN-JOCHJYFZSA-N 415.457 1.145 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359123960 ZQEARRHOXXUKEH-OLZOCXBDSA-N 403.464 1.960 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359292448 PJVCHEHMDUGBLK-MGPUTAFESA-N 401.515 1.579 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1359301971 RVZZXSHXQCKXHN-HNNXBMFYSA-N 416.530 1.532 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1360784870 LKJAXNAADHZNSY-APWZRJJASA-N 405.524 1.657 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1457302831 SKQWXEUUBFPFKA-PGRDOPGGSA-N 412.490 1.393 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1458006663 SZASICOCKSFTKI-CABCVRRESA-N 416.544 1.361 30 10 HDEE COC(=O)CNC(=O)CNC(=O)Nc1ccc(Oc2ccc(C#N)cc2OC)cc1 1465490390 FLZQTVKZJOVFQY-UHFFFAOYSA-N 412.402 1.770 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)CC1 1468574141 HFJIRWHJALEESD-AWEZNQCLSA-N 422.507 1.486 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCOCC1 1470866947 QOFGYTSGIHSISM-SFHVURJKSA-N 415.490 1.600 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCO[C@H]3c3nc(C)no3)ccc2c1=O 1472607350 KDMMQCISOUBSRF-DZGCQCFKSA-N 413.459 1.823 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1479068941 LOLLYUHNDAVJGS-WOJBJXKFSA-N 422.489 1.412 30 10 HDEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1505316281 HEOUAMHAJVRUHF-UHFFFAOYSA-N 418.383 1.932 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1507564760 WEZQQXKMXPGCJD-MSOLQXFVSA-N 405.568 1.658 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(COC)CCC2)CC1 1507726872 MHQGAWFXCLCVDW-UHFFFAOYSA-N 411.554 1.712 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1507844142 CTZAVZSINWOJIL-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1507867730 BLFINWCJQDLSSN-CQSZACIVSA-N 401.964 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccoc1C 1508140739 QAUMDPNCSVEUFY-HNNXBMFYSA-N 407.496 1.368 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508160513 VFRRAOOJIOTPRL-KGLIPLIRSA-N 413.569 1.162 30 10 HDEE Cc1cccc(C)c1OCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1511061573 IFLXISZCLPGNKD-KRWDZBQOSA-N 412.494 1.841 30 10 HDEE CCCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1514609015 HHVLFGMMAXQGFR-ZUVSJKOSSA-N 418.498 1.375 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 1516835065 BLXWCDRTJRLQLO-OAHLLOKOSA-N 410.544 1.241 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)c3cc(C#N)ccn3)CC2)c1 1516839412 WZAIYGMQTWLWLS-UHFFFAOYSA-N 413.503 1.377 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1519386040 UTRXFJJKGRFSRO-KRWDZBQOSA-N 422.493 1.483 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cscn4)[C@@H](C)C3)cc2C1=O 1527669207 WIPZKDZCTJYVIY-ZDUSSCGKSA-N 424.482 1.912 30 10 HDEE C#CCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@H]1CCS(=O)(=O)C1 1530297889 PRYMLYPQUDKGDA-ZDUSSCGKSA-N 410.293 1.598 30 10 HDEE N#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc(Cl)cc1 1530317398 ANJYHXYNQHSRQX-UHFFFAOYSA-N 414.834 1.922 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1535097991 MEGIWSHHMLDSAE-WMLDXEAASA-N 412.483 1.850 30 10 HDEE C=CCOc1cccnc1C(=O)NCCNC(=O)c1ccc(Br)cn1 1538847006 CCZNGRGPPDVCNJ-UHFFFAOYSA-N 405.252 1.964 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1539179742 RHQRIEXZDJWXFI-HNNXBMFYSA-N 420.514 1.182 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1539223950 AGSCWTHHTNQUTR-QGZVFWFLSA-N 422.576 1.984 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1539231483 SOGAVGYAXFETQR-UHFFFAOYSA-N 419.489 1.433 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(=O)NC1CCCCC1 1539415159 AAANQBLLEHGLOG-KRWDZBQOSA-N 403.527 1.707 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnccc2OC)CC1 1539453691 CDCCCQMWSRLBKS-UHFFFAOYSA-N 423.546 1.841 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539705170 QMGRZMRHLCKHJZ-SJORKVTESA-N 423.583 1.745 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1540661410 YDCCSKLGIDHJSW-SREVYHEPSA-N 405.458 1.483 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1540872457 QBXVOCAIEVLZKW-SFHVURJKSA-N 424.484 1.743 30 10 HDEE Cc1csc(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)n1 1542855902 YLBWWMOIPWYDKK-HNNXBMFYSA-N 417.539 1.933 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)cc1 1543123832 HUVYJEAAOLHXTQ-HSLLHTKSSA-N 408.524 1.283 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)CC 1545860713 BRHHADIEIGQYDM-UHFFFAOYSA-N 410.544 1.371 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CCO1 1555388360 FLDWICZUDWRVQS-SFHVURJKSA-N 410.478 1.195 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H](O)C1 1555753954 ZBQGMEMVOSSYQH-ICUGJSFKSA-N 405.499 1.282 30 10 HDEE CN1C[C@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1557385707 IMMDNXHTECDICD-SJORKVTESA-N 416.478 1.128 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1558062140 JINWWSZKQUODCZ-HNNXBMFYSA-N 407.414 1.622 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)cc3)CC2)C1 1558140185 AAOOLFOOUAJCDH-UHFFFAOYSA-N 422.478 1.448 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1561293269 GPHBQPJSDGAFCK-MRXNPFEDSA-N 400.456 1.271 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1565156169 DIIVXHFPWNBHQF-LJQANCHMSA-N 400.523 1.998 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 1565814907 NDPHDPIATMNYFK-KRWDZBQOSA-N 409.577 1.625 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2cccc(OC)c2)c1 1584044923 AEAXVCCKKNWZRZ-UHFFFAOYSA-N 414.483 1.652 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 1586662430 OKFIDLWEDFTXEN-YADHBBJMSA-N 420.469 1.922 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccccc3OC)C2)c1 1587333637 HRQSUXPEZNJKBP-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1588045026 FQIRLNVSELQKCG-OAHLLOKOSA-N 405.549 1.720 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1588069106 HLOBQPHCEKCFDD-QGZVFWFLSA-N 421.567 1.463 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589070235 QWPPDCXYRDPOTO-OAHLLOKOSA-N 413.613 1.751 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1593741036 IPHSPAOLGYJOMP-HZPDHXFCSA-N 400.487 1.255 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccoc1C 1595466669 LDJFJXMWUOXJAH-UHFFFAOYSA-N 409.450 1.765 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1608141962 ZVOKJUFDYSLGGA-ZZEZOPTASA-N 424.509 1.330 30 10 HDEE Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1612082642 HLSWQQVSFPPFMH-SFHVURJKSA-N 405.462 1.048 30 10 HDEE N#C[C@]12CN(C(=O)c3cc4c(cc3Br)OCO4)C[C@H]1CS(=O)(=O)C2 1616335763 HWJYIQHMRLDVTR-BJOHPYRUSA-N 413.249 1.188 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)=O)CC2)CCOC1 1619052313 IBDPHKVFKHHFJO-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1619912450 DDHQCUWTGGELFK-XLAORIBOSA-N 421.567 1.983 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nc(C)no1 1620099660 JYRHXCRAHWKMEX-URLQWDBASA-N 419.461 1.768 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 1620484335 TZOPZUJDLZCZFF-FOIQADDNSA-N 413.503 1.613 30 10 HDEE CC(C)[C@H](CO)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1628156473 LYFNPQSCAFSZTR-LPHOPBHVSA-N 409.552 1.911 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1628699109 BCWPBTCWCNDEMQ-CQSZACIVSA-N 412.309 1.266 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628903468 HMFNUWCTLVBPIV-RBUKOAKNSA-N 410.449 1.672 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1-n1cnc(C#N)n1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1629245820 QHKKQTVNNWLEQZ-CJNGLKHVSA-N 414.466 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1630987194 HPPCIUSQHMMUBJ-KBPBESRZSA-N 402.517 1.114 30 10 HDEE N#Cc1ccc(NCC(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc1 1632302353 FBTOEBHEIHTCCM-UHFFFAOYSA-N 408.462 1.066 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)C1=O 1634109755 MDOVDEZUVPPXKN-HNNXBMFYSA-N 407.511 1.384 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3Cc4cc(F)ccc4NC3=O)C2=O)cc1 1634587810 AFPUIGXDIHDCND-IEBWSBKVSA-N 406.417 1.725 30 10 HDEE CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1cnn(CCC#N)c1-c1ccccc1 1634689468 AQDFZIVLHOSTEQ-UHFFFAOYSA-N 418.461 1.413 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnnn2-c2cccc(Cl)c2Cl)CC1 1634876091 BWGUDHDJHKUWFF-UHFFFAOYSA-N 421.288 1.081 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCSc1ccccn1 1635103250 OUECOLWLJOTNHH-AWEZNQCLSA-N 404.517 1.919 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F)C(=O)OC 1635158533 DCJCLCXXDYFYFJ-CYBMUJFWSA-N 417.430 1.623 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)s1 1635303081 FBQORYMSRNSFBP-UHFFFAOYSA-N 420.520 1.001 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN(C)C)cc1 1635386743 TZXYSFNEVINAON-IBGZPJMESA-N 405.520 1.114 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 1638075987 XGAZLBVDQORNDZ-OALUTQOASA-N 403.548 1.610 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)c1 1640784457 VOMZCMBRCJVDLV-KRWDZBQOSA-N 412.511 1.961 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c(=O)c1C#N 1641510838 IFVVGSQGPGFJHO-LLVKDONJSA-N 409.284 1.816 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1642544919 MLWUIZVDAUGAFO-AJHXJQRKSA-N 411.451 1.375 30 10 HDEE COC[C@@]1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCCN1C(=O)OC(C)(C)C 1642709223 LLVSRVWQBDQYHP-LAUBAEHRSA-N 406.527 1.991 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([C@H](F)C(=O)OCC)C2)ccc1F 1643843714 JKSHOAQPTMBBSC-CJNGLKHVSA-N 416.446 1.653 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccn(CCN2CCNC2=O)n1 1645136393 WPSXAQWFUFTHKK-UHFFFAOYSA-N 421.461 1.911 30 10 HDEE CC1(C)C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCS1(=O)=O 1645875559 RTVURSKGJKUEQB-LLVKDONJSA-N 402.469 1.209 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]([C@@H]4CCCCO4)C3)CC2)o1 1647783793 GHHVXEIXIUFLPB-HKUYNNGSSA-N 401.511 1.784 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1648467450 GKUVPUVAZJIBCB-MRXNPFEDSA-N 414.372 1.128 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1651763410 DYCNMPKTCAYSSC-WMZOPIPTSA-N 408.520 1.083 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1680025027 SOCLJPWUYXDYAU-UGKGYDQZSA-N 422.489 1.792 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCN(CCC#N)CC2)CC1 1685149481 UKAWFAIENBCNPM-UHFFFAOYSA-N 408.547 1.216 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)[C@H](C#N)C1 1686055028 GIGITSADNCVTOK-HUUCEWRRSA-N 410.515 1.612 30 10 HDEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1689875408 RATAFMVNJFYIFO-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1689944699 XXKNJNWSXZCKOG-LJQANCHMSA-N 403.870 1.082 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1689979551 CWNDTGSURULGOC-MRXNPFEDSA-N 404.540 1.427 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1690077429 OGYRAOBUYQCPEV-KRWDZBQOSA-N 423.583 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(C)=O 1690101346 XRKYOJCYDGVOJW-UHFFFAOYSA-N 423.477 1.206 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690154483 OXIKFMLIBSDMFK-MRXNPFEDSA-N 420.583 1.668 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690228697 CYCYMFUPDKQITF-ZIAGYGMSSA-N 414.304 1.032 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1690312963 HOZQWJGOYYTDJG-MRXNPFEDSA-N 422.555 1.451 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1690624613 YHBGOKCULSXAPM-NRFANRHFSA-N 403.502 1.713 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](OC)C1 1690669989 UPVFTNBFBLBQBS-ZDUSSCGKSA-N 409.450 1.121 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1690742404 POUZAJWDQDRIRV-UHFFFAOYSA-N 416.551 1.863 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1692849252 BGWXDBPITIZSGO-GCJKJVERSA-N 424.505 1.714 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1694264915 FUFMEMOXZIWZFB-CABCVRRESA-N 412.498 1.826 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccs2)CCO1 1698493878 YTXNLFQMKBQQFX-ZIAGYGMSSA-N 402.480 1.350 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](COC)C1 1705658902 FCFCGWZTSUGUIU-AWEZNQCLSA-N 403.508 1.845 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1705660094 MNLXTVRBCZXPST-JKSUJKDBSA-N 407.540 1.226 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705700333 RYXQDSKKOPQRAG-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1705808541 QLRXTXQVLLLVFK-UHFFFAOYSA-N 410.526 1.873 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1)C1CC1 1705853190 SBRLLXVCARNJPM-MJGOQNOKSA-N 415.586 1.658 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1705900710 MXHHMFATFFXBLH-UHFFFAOYSA-N 419.489 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C 1722290952 HDHQRPBNSOMTNO-ZDUSSCGKSA-N 405.480 1.065 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722301383 XNXBAUMJMVZTGH-FZFLATATSA-N 405.462 1.248 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722329829 GDWJFOLEPYBIJV-QGZVFWFLSA-N 404.478 1.890 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1722350030 JWGHMPSPIISJNK-PMERELPUSA-N 424.530 1.563 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1722358370 BBCIASDHSFMUJN-JKSUJKDBSA-N 406.508 1.898 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1722365900 FVBMKAWUQBRCSQ-INIZCTEOSA-N 402.524 1.263 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722368983 XMNOLVIFJYNXIU-DLBZAZTESA-N 404.492 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCCS1 1722390110 OISARTDSPRBJFI-YJBOKZPZSA-N 409.581 1.637 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1722413549 NZNXYDOSQMOGOY-INIZCTEOSA-N 407.496 1.020 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(CC)(CC)OC)CC1 1722432794 FGGDYORBJABCTR-JOCHJYFZSA-N 419.570 1.891 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ncn(C)n2)CC1 1722449229 IDDZIOXECUFQJG-UHFFFAOYSA-N 410.526 1.153 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC 1722469680 IZCLBBVJTYZSAL-GOSISDBHSA-N 418.479 1.395 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722525127 ODPFKLBHXRFDAG-OAHLLOKOSA-N 414.514 1.551 30 10 HDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1722685124 QXWZZELBASZRCN-CQSZACIVSA-N 409.494 1.951 30 10 HDEE CC(C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723038969 RADCNVKURVLOTQ-QGZVFWFLSA-N 411.466 1.801 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)n1 1724488910 XMMMFUPTIQTCTN-UHFFFAOYSA-N 418.523 1.450 30 10 HDEE Cc1cnn(C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCO2)c1 1724957230 AGWJAGALKSUJLB-IBGZPJMESA-N 421.505 1.998 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CSCCS2)CC1=O 1729597723 DXWISNVWBKWFGE-MRXNPFEDSA-N 414.560 1.944 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCN2CCCCC2=O)CCO1 1731186641 FOSVEEJGQHUHKY-GOSISDBHSA-N 409.494 1.395 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740548948 AYEYXSXKVFAKIR-OXQOHEQNSA-N 402.520 1.185 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740575849 QQBFLECBLOHQQH-DLBZAZTESA-N 409.556 1.446 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1740623589 XGXFILNDVWIIFV-KRWDZBQOSA-N 402.524 1.149 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1740706414 XHDLWIMYIQZPAY-NRFANRHFSA-N 419.595 1.701 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1740788663 VLUMVVPJVXAOEK-FXAWDEMLSA-N 404.559 1.558 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCCOCC1 1740994259 LRHSXMQFZNTAQU-UHFFFAOYSA-N 420.535 1.727 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1741733537 WTSBWZLIBAWJFW-GHTZIAJQSA-N 418.542 1.533 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1748766361 NYWVOHLGOTXHMT-WBVHZDCISA-N 404.540 1.261 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1748790051 DROQTUZDXBAHLZ-INIZCTEOSA-N 407.540 1.042 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748825049 OACVHOVCDJMQCT-OALUTQOASA-N 412.538 1.086 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)N(C)C)CC1 1748994337 DRVJGDIGVIDOTO-UHFFFAOYSA-N 419.533 1.515 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1749377200 NVQISNIXBZGERB-ULQDDVLXSA-N 418.542 1.818 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C)C1=O 1749592540 PEVDNZKHXFDLDQ-HXUWFJFHSA-N 414.466 1.970 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749670241 PAQFMKLFVXXDQN-KFWWJZLASA-N 413.544 1.080 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1749729484 LGUSGJVWAWIGIP-CYBMUJFWSA-N 423.926 1.511 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)C1CCC1 1757728145 ZSESKHVPUVOXQG-NSOKGPEJSA-N 403.523 1.522 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760144627 WRZQNAXXLLBZQP-INIZCTEOSA-N 407.478 1.540 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760158066 JFNXWBCSBUTQCJ-GOSISDBHSA-N 413.503 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCc1nc(C)no1 1760216120 BCIWKMASBUPYHM-UHFFFAOYSA-N 421.461 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1760217117 PNVRJVFNTQCQGW-DENIHFKCSA-N 408.506 1.870 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(C)C 1760219410 DHCBBJOSLMPYAB-GOSISDBHSA-N 405.568 1.373 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760231115 LLMKJCNLPGUKQS-IBGZPJMESA-N 409.538 1.742 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1760259935 IOYDKXSQTBEBGN-FQEVSTJZSA-N 410.570 1.857 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOCC2(C)C)CC1 1760262838 DIOHFEOQIKWMPC-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CC2)CC1 1760266759 LNWUSXATFAILGJ-UHFFFAOYSA-N 409.490 1.444 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760316198 NPDMBJDTEMTNMJ-IKGGRYGDSA-N 402.499 1.334 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)CC1 1760391485 FGJDFHMKHSBWFD-UHFFFAOYSA-N 402.543 1.404 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC=C(c2ccccc2)C1 1760521639 ZJVYQDFCOCIILN-GOSISDBHSA-N 406.490 1.825 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760552450 OBBSIARAMXLUTN-HNNXBMFYSA-N 415.523 1.601 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2cnnn2C)CCOC1 1761281969 ZWKVBKMCVCGVGZ-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE Cc1cc(Cn2c(C(C)C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)n(C)n1 1762394716 DPRMFGDUFWJUTG-UHFFFAOYSA-N 422.541 1.732 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](F)COC 1764180994 LEBOGPDGICGDFO-WMLDXEAASA-N 421.521 1.358 30 10 HDEE CC/C=C\Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1765339819 CCHRSXBIQIHTKI-ABCZVMIZSA-N 415.523 1.933 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1766645292 LFEHECWJWVNJJZ-ZDUSSCGKSA-N 422.511 1.189 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)cc1 1768744304 BFQBZOKTKOHINV-KRWDZBQOSA-N 414.466 1.119 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOC4(CCC4)C3)n2CC(=O)NCC(F)F)c1 1771531915 HVSRNYMUGCXYTI-UHFFFAOYSA-N 416.432 1.957 30 10 HDEE N#CC1CCN(c2nnc(CC3CCCC3)n2CCN2CCCS2(=O)=O)CC1 1771535870 BGBZJVAOVODGTB-UHFFFAOYSA-N 406.556 1.786 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849645264 ODQVOCNPVRNTFC-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE CC(C)(C)[C@H](C(=O)N(c1ncccc1C#N)C1CCC1)N1CCS(=O)(=O)CC1 1851183880 VXVJCONFWMSMNZ-KRWDZBQOSA-N 404.536 1.984 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(C)c4)n3[nH]2)CC1=O 1852237259 LNVZRTYASVYVIZ-HOTGVXAUSA-N 420.473 1.968 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cncc(Cl)n2)cc1 1852284360 VNQZWWGZVXAOTF-INIZCTEOSA-N 402.838 1.938 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1ccc(-n3ccnc3)cc1)C(=O)CC#N)CC2 1853418267 BMUMSTSNDRYJHZ-IBGZPJMESA-N 402.458 1.766 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(CC4CCOCC4)CC3)CC2=O)CC1=O 1853642087 UKNZJKHDOPLHNA-VQTJNVASSA-N 417.550 1.535 30 10 HDEE C=C(C)CN1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)C(=O)C12CCCC2 1853676870 YCABXVLKVCOTMH-UHFFFAOYSA-N 410.478 1.601 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1853828834 OWIDWQCKMLBPDR-JKSUJKDBSA-N 400.479 1.403 30 10 HDEE CC(C)n1cc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1854271561 SSVBRQLUTKQVKT-SFHVURJKSA-N 408.462 1.625 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)cc1 1854402138 YSYODRRYIRGUJD-IBGZPJMESA-N 416.455 1.669 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c(C)c1 1854421804 VXFXZBWMIYNGNR-UHFFFAOYSA-N 403.504 1.683 30 10 HDEE CC1(C)C(=O)N(C(=O)CC[C@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854515379 CJTPXKFCAHZESW-MRXNPFEDSA-N 419.503 1.656 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)CC(F)(F)F)C1=O 1854907469 IAYTTYCZBUGZED-AWEZNQCLSA-N 410.400 1.329 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O)n1cncn1 1854999868 WGGJTNUJRXHHQJ-YJBOKZPZSA-N 407.478 1.503 30 10 HDEE C[C@@H](CC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O)n1cnc2c1CCCC2 1855009352 ZAXZLAHGAUMPLS-ZWKOTPCHSA-N 412.538 1.372 30 10 HDEE COc1cc(CCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)ccc1F 1855028243 UFUQMOYOSZKGCR-KRWDZBQOSA-N 402.470 1.426 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](C2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1855032833 HSZBRRAQSJNZAB-IEBWSBKVSA-N 405.539 1.535 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)c3nccnc3N3CCOCC3)C2=O)CC1 1855606286 MVXVUZUURCVVLZ-KRWDZBQOSA-N 412.494 1.070 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2nccnc2N2CCOCC2)C1=O 1855824680 UATPHKRYWZTEPS-QZTJIDSGSA-N 413.522 1.875 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCCC2 1856637569 QKQCRQAVJKLSJL-KRWDZBQOSA-N 416.522 1.301 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1CC(=O)N1CCCCC1 1857179146 RCJSSUIBNOLCBC-UHFFFAOYSA-N 410.518 1.953 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(F)c(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857228601 QRHCJZYOKUHGKC-SJKOYZFVSA-N 409.408 1.811 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)/C=C/C(=O)O)cc1 1858659494 RDPALVVMRYAUAY-MDZDMXLPSA-N 407.448 1.016 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCNC(C)=O 1870530675 SUGLVHBCRJYFLL-KRWDZBQOSA-N 418.538 1.452 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCOC 1870540143 NTDIAMOKEDRQPW-UHFFFAOYSA-N 415.490 1.957 30 10 HDEE CCc1nc(C2=C(N)N(c3cccc(C(=O)OC)c3)CC2=O)sc1C(=O)OC 1872724416 DYHFXJOHJQXTSO-UHFFFAOYSA-N 401.444 1.995 30 10 HDEE CC(=O)Nc1ccc(-c2nc([C@@H](C#N)C(=O)CN(CCO)CCO)sc2C)cc1 1872800801 WBHWQZDLQCJUJO-KRWDZBQOSA-N 416.503 1.540 30 10 HDEE CCCCCCCCCCN1C[C@H](O)Cn2c(cc3c(=O)n(C)c(=O)n(C)c32)C1=O 1875236204 GAAJRTUOCOERPO-INIZCTEOSA-N 418.538 1.996 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CN(C)c2ncccc2C#N)CC1 1890640952 OHHPRJJPWRHBNE-UHFFFAOYSA-N 402.524 1.841 30 10 HDEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(Oc3ncccc3C#N)CC1)CS2 1891087401 XWIFHNKTQAZFNK-OAHLLOKOSA-N 411.487 1.925 30 10 HDEE C#CCOC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1891618803 VVFMEWXFNMVLTE-UHFFFAOYSA-N 408.495 1.867 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)CC2)c1 1891929384 KAQMQBWARAGBKB-MRXNPFEDSA-N 411.487 1.549 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1(F)F 1965778297 XKCGLDKNJXWXKK-CYBMUJFWSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174786350 JBUHAOGZKREOPZ-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2sccc2S(C)(=O)=O)[C@H](C#N)C1 2194942255 UPYQLRXYJDGJCN-OLZOCXBDSA-N 414.553 1.596 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(CNS(=O)(=O)c2ccc(C#N)s2)C1 2237807054 IEBRZXOMGPGEPC-SJKOYZFVSA-N 413.521 1.924 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675762 AEICOLBRCRRHCK-HNNXBMFYSA-N 407.320 1.336 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921776 VIZGRDHHIWXSBH-UHFFFAOYSA-N 413.331 1.318 30 10 HDEE CC1(C)OB(c2occc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247924581 PSQWHLQZRZJOIQ-UHFFFAOYSA-N 412.295 1.556 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2247926745 WOVZFCQNMYOXFK-STQMWFEESA-N 422.287 1.289 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CNC[C@H]3C4)cc2Cl)OC1(C)C 2267353948 NUTPNQQIYKGYPN-PSLIRLAXSA-N 404.750 1.341 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@@H]3CN)cc2Cl)OC1(C)C 2267416863 ULAPCDQVKQQFNI-MWLCHTKSSA-N 406.766 1.716 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270537767 PJAAGTMLJKDRRR-QGZVFWFLSA-N 417.443 1.357 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCN3CCOCC3)c2Cl)OC1(C)C 2281941769 YGAVCTVPWVZDRS-UHFFFAOYSA-N 400.737 1.763 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(CF)CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282305102 TYDJGIIPOSEGPP-INIZCTEOSA-N 404.338 1.336 30 10 HDEE Cc1ccc(S(=O)(=O)N=[S@@](C)(=O)CCN)c(B2OC(C)(C)C(C)(C)O2)c1 2282307748 HSCZOIPANWLRTM-VWLOTQADSA-N 402.347 1.039 30 10 HDEE CN1CCC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282329777 RATOATJQSFAIIN-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCSC1 2282334924 IBNUPHDSOOLSHM-NWDGAFQWSA-N 401.363 1.139 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282489487 DLGHSVKCGPJQBX-STQMWFEESA-N 401.359 1.856 30 10 HDEE C[C@@H]1CCO[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282495713 QEZDEIRXUXYCNA-DGCLKSJQSA-N 402.347 1.287 30 10 HDEE COCC(C)(COC)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282512030 QPXACMWYQATOGB-UHFFFAOYSA-N 405.347 1.377 30 10 HDEE C[C@H]1CSCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282512369 SDZPELYDSKKUDD-GFCCVEGCSA-N 418.415 1.957 30 10 HDEE CN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)[C@]1(CN)CCOC1 2282638790 RQMWMOQAKCVLQP-KRWDZBQOSA-N 400.737 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](O)CC1 2282831421 KASQTIQJOWYRLT-JOCQHMNTSA-N 401.359 1.938 30 10 HDEE COCCOCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850425 OTXQHHSVHGCXJS-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE C[C@H]1CN[C@H](C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282853080 YEXJUXMWUIPZSP-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CCN1CC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853437 CWGCFYHADDEJEO-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CO[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2282862461 CTOXSBHQZHSWLE-SECBINFHSA-N 415.264 1.903 30 10 HDEE CC(C)(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OCCO 2282867902 FWDVUGZFVMTCOQ-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE CNC1(C)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282882572 NRLJCMCMCNVMBV-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284405492 LEZOTVDURKAAEI-SNVBAGLBSA-N 403.693 1.781 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2301660161 BGTCZANDBRFVJW-CQSZACIVSA-N 424.303 1.848 30 10 HDEE O=C(C=Cc1ccc2c(c1)OCCO2)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2323247970 MDSASGGPAPNTFO-UHFFFAOYSA-N 424.413 1.692 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331293513 UDXXLLMPZMBQAQ-UHFFFAOYSA-N 410.452 1.337 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@H](O)c1nn(C)cc1I 2361289133 YHEPBDGRDQTYCS-YPMHNXCESA-N 405.305 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@H](O)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365191626 PSAWKMVRKXZGKL-CABCVRRESA-N 403.541 1.979 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)CC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365201141 FPBYTODIESLHKI-JIGUGWAPSA-N 400.541 1.339 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2367813457 DOSFTMKMJZTTFV-LSDHHAIUSA-N 402.557 1.552 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCCNC(=O)OC(C)(C)C 2367818975 NWMPBGSEURDPAV-MAUKXSAKSA-N 402.557 1.601 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](O)(CC)CNC(=O)OC(C)(C)C 2367832168 XYEUJNLEXGWYIX-HNAYVOBHSA-N 402.557 1.601 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cc(=O)n3ccccc3n2)CC1 15445373 PIAHYMKAIYZJCQ-UHFFFAOYSA-N 409.471 1.073 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccco2)[C@H](C#N)C(=O)N3)CC1 72444623 SSMLAHSSSVJRTJ-JSGCOSHPSA-N 411.418 1.366 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1=O 101764818 ILWDCZCNUZXJGC-CQSZACIVSA-N 413.390 1.424 30 10 HDEE C[C@H](C(=O)NCc1cnn(-c2ccc(Br)cc2)c1)n1cnc(C#N)n1 409999974 KKVNKXZYRDCZJE-LLVKDONJSA-N 400.240 1.975 30 10 HDEE N#Cc1cccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)CC2)c1 435031878 CXULEMQHHRGHOM-UHFFFAOYSA-N 420.494 1.995 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCSC[C@H]2CCO)c1C 442087277 QHEOIYOCGFJVQS-QGZVFWFLSA-N 413.503 1.626 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cn1 461302825 UOHKEGQLCMLHEE-UHFFFAOYSA-N 408.443 1.931 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 463532250 MNHCUUNYFKTNSR-NSHDSACASA-N 407.473 1.354 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCC(=O)N(C)C)CC1 473200783 LCQLMRGBNZSRHE-KRWDZBQOSA-N 417.579 1.973 30 10 HDEE CCc1nc(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)n[nH]1 481999852 QXMLCVRFNVQSBC-UHFFFAOYSA-N 401.492 1.560 30 10 HDEE CNC(=O)c1cccc(CCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486003935 MQBQMMVDJODUIY-FQEVSTJZSA-N 404.470 1.768 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(Cl)s3)CC2)C1=O 499087339 RZZXOAGBQKMEBY-UHFFFAOYSA-N 410.883 1.023 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 504040579 TYNHGXBNNOEIJI-UHFFFAOYSA-N 408.458 1.275 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508885161 MXUILMUGVRXLKO-LJQANCHMSA-N 400.508 1.562 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 517311635 GPFGUDFPQHMBMX-UHFFFAOYSA-N 415.519 1.456 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1C 518687737 BIPALBSEAZJSTM-UHFFFAOYSA-N 404.448 1.265 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cncc(I)c2)CC1 535989026 OHUSTGHHPXSWFA-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@H]3CS(N)(=O)=O)s2)cc1 543577410 RLWDLZITTKNQKX-AWEZNQCLSA-N 405.505 1.890 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 553241143 QDQYXCDBLWXSAF-KRWDZBQOSA-N 414.487 1.610 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 555165955 QHZOOJYQPOOZGP-FUHWJXTLSA-N 408.520 1.448 30 10 HDEE C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C1CCN(CC(F)(F)F)CC1 555473278 MCFRVGZENTTXRY-CYBMUJFWSA-N 404.458 1.979 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 558456271 DEBXDAXJJLYHPY-AZUAARDMSA-N 422.533 1.883 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)C2=O)nc1 581688396 ZSGDUFBDBCZVTG-HYUNPYRHSA-N 414.487 1.474 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 583172698 JPGTWMUOSIIOJC-UHFFFAOYSA-N 417.438 1.506 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCC(COCc3ccc(C#N)cc3)CC2)CC1 585222299 XBBAGWHIIIDTPP-UHFFFAOYSA-N 419.547 1.985 30 10 HDEE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654942 VLSHXSNCWLAJDC-MRXNPFEDSA-N 421.501 1.833 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)CC1 590127861 JAAWCUDGNRUYCY-UHFFFAOYSA-N 412.309 1.976 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1cccc(C#CCO)c1 703983569 MFGVKOKJHSDYJV-UHFFFAOYSA-N 412.467 1.136 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc(F)cc2S(=O)(=O)C(F)(F)F)CC1 726591199 IVESEAHPQQVGEI-UHFFFAOYSA-N 409.405 1.543 30 10 HDEE C#CCN(C(=O)c1ccc(OCc2cscn2)c(OC)c1)[C@H]1CCS(=O)(=O)C1 729332291 MHEJIXQLENQGQM-INIZCTEOSA-N 420.512 1.993 30 10 HDEE C#CCN(C(=O)CCn1c(S)nnc1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729332626 RQYSKDGWJGEQQG-MRXNPFEDSA-N 418.544 1.581 30 10 HDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 732649370 TXZJLVUCJQMEAB-CZUORRHYSA-N 402.882 1.900 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CCN1C1CC1 732665203 VMRMLITXIBMJQL-NXHRZFHOSA-N 402.495 1.167 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)CSc2ccccc21 734293931 UHKJQIJVXBNKFQ-UHFFFAOYSA-N 401.469 1.811 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c2C1 753125481 HWYJUQWJTYSDJE-KRWDZBQOSA-N 420.517 1.852 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757479559 REQJXPJKAGGMEP-VLIAUNLRSA-N 422.437 1.479 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 758021294 MLASRJPDAOTMBS-UHFFFAOYSA-N 417.307 1.828 30 10 HDEE COC[C@@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 758226845 QTCLQJKGTOCFLA-TVJQZGFISA-N 412.512 1.408 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccn(C)c2)c1=O 763466146 QSSBSRAUDNQTOO-UHFFFAOYSA-N 403.463 1.276 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2O 768470236 LBYTZAKERYWDIZ-PXAZEXFGSA-N 401.444 1.680 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C)[C@@H]1CCS(=O)(=O)C1 774037780 GKXFRIPFQZTDEL-QGZVFWFLSA-N 403.504 1.885 30 10 HDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[C@H]1CCS(=O)(=O)C1 774161099 CPNWUJBZAIKBGM-INIZCTEOSA-N 421.494 1.262 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 776227363 XGWARVLYHGFVAH-QZTJIDSGSA-N 405.882 1.753 30 10 HDEE COc1ccccc1CC(=O)N1CCC(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780916471 IHGDBQQUEFGTEL-QFIPXVFZSA-N 407.470 1.950 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 787057746 XKDXNHDOMDEFOU-YJBOKZPZSA-N 406.398 1.973 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](O)CC(F)(F)C1 787836027 VFGPPHDWOLXLQE-CYBMUJFWSA-N 415.462 1.514 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)O[C@@H]3CCCN(c4ccc(F)cc4C#N)C3)cnc21 789479710 PCNTXAJVVVLSDD-OAHLLOKOSA-N 410.409 1.353 30 10 HDEE C#CCN(C(=O)c1nnn(Cc2ccc(F)cc2)c1CC)[C@@H]1CCS(=O)(=O)C1 790910537 IEZJNDHPPVNWHQ-MRXNPFEDSA-N 404.467 1.290 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1cc(Cl)ccc1N1CCOCC1 798452161 AXWAZOQJTVPAIM-UHFFFAOYSA-N 401.916 1.577 30 10 HDEE CCc1oc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1C(=O)OC 800847256 VKONKGGOLRSKPI-ZDUSSCGKSA-N 413.455 1.057 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3COC)CC1 801790086 DWJAGIITKARPQF-UHFFFAOYSA-N 415.494 1.021 30 10 HDEE C#CCC(CC#C)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 807277613 VCJUXXCXJJHASL-SFHVURJKSA-N 401.507 1.720 30 10 HDEE CCCC(=O)NCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809125055 ZABOOGMWZCKJMG-UHFFFAOYSA-N 406.233 1.181 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 812172844 OPYJZIDEEDVFKL-HUUCEWRRSA-N 408.503 1.971 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 812306506 SXFASXBWYSZVTO-KRWDZBQOSA-N 417.535 1.834 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNC(=S)Nc1ccccc1C(F)(F)F 814716234 DTYWMERCPSVVLH-UHFFFAOYSA-N 420.442 1.877 30 10 HDEE Cn1cc(-c2noc(COc3ccc(C#N)c(Br)c3)n2)c(O)nc1=O 904837741 UKLNCJKDUAVEGB-UHFFFAOYSA-N 404.180 1.749 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1 1127600737 CJZCXZVATFSHNA-GXTWGEPZSA-N 405.398 1.938 30 10 HDEE C#C[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCOCC1 1131468665 IVCABJCXJKOICS-MOPGFXCFSA-N 416.474 1.779 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n1 1132098502 KBBYJBWASHYQOP-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE N#CCCn1cc(C(=O)N2CC(CN3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1141411080 NKEZPEDJEKEJIX-UHFFFAOYSA-N 424.461 1.776 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cc(Br)cc(Br)c1N 1147600656 BSZGTAQAKRCKDI-UHFFFAOYSA-N 405.046 1.933 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)nc1 1156247502 NEFBYDDGQKKAHI-AWEZNQCLSA-N 403.439 1.456 30 10 HDEE N#Cc1cn(CC(=O)Nc2nc3ccccc3n2-c2ccccc2F)c(=O)nc1O 1160885617 GKNYUBIXEMPBJS-UHFFFAOYSA-N 404.361 1.937 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3cnc(N)nc3C2)C1 1166949629 FHZHVSCKDREPDK-UHFFFAOYSA-N 413.279 1.714 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)ccc1F 1167691354 QBIXOUICYBGCNU-OAHLLOKOSA-N 424.498 1.310 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCC(O)CC1 1167748568 IGYGVNIYOMZDMQ-DQPZFDDXSA-N 407.536 1.807 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CC2CC2)[C@H](C(N)=O)C2CC2)CC1 1175503583 PEGJAUOWNYGMKC-PXNSSMCTSA-N 415.563 1.433 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc(F)c3N)C2)c(=O)nc1O 1181001784 XEUSBPNCSBMQBX-UHFFFAOYSA-N 408.187 1.001 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CCOCC1 1195015570 UEYXJUATANJQIJ-SREVYHEPSA-N 423.487 1.741 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)nn1 1219299900 QMPRFFSVEZZGFS-UHFFFAOYSA-N 423.399 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1286272490 ATXTVNSDKSHJJS-AOMKIAJQSA-N 411.506 1.924 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1286282221 MAEPSMSEHOPEKY-OAHLLOKOSA-N 413.478 1.279 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1286290959 UNAHUTCBYRZJOF-AWEZNQCLSA-N 414.491 1.607 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cc(F)c(F)c1F 1286360748 JDLNGJGTZPGDMV-SECBINFHSA-N 419.404 1.562 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(OC)C2CC2)CC1 1286470227 VMGHXRFBVUATMN-JOCHJYFZSA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286503758 KEQNASNJYVDHLM-SJLPKXTDSA-N 400.552 1.797 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)[C@H](C)CCC 1286514974 SPLOCVQCRVONRY-IIBYNOLFSA-N 402.543 1.961 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286540502 BJXSTUPSORTCEP-YNEHKIRRSA-N 421.361 1.948 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1286778733 DZHFIOOIBRRZFT-RHSMWYFYSA-N 414.441 1.588 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(O)cc2)C1 1286801587 ZYGATDXIAJAWAY-PBHICJAKSA-N 421.523 1.424 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1287025737 NYHRVBLSZOOIHA-UHFFFAOYSA-N 420.539 1.898 30 10 HDEE C[C@H](CN1CCN(C)CC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1293093921 OABFTWPJKZVBJD-CQSZACIVSA-N 420.355 1.509 30 10 HDEE CCN(CCCn1c([C@H]2CCOC2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1295810088 CSBMGJNTZGHERO-INIZCTEOSA-N 410.544 1.194 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1296066333 BXONMTAURNIRHR-DLBZAZTESA-N 406.556 1.404 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 1297288608 ZXGFANMMVCXCRL-CYBMUJFWSA-N 424.951 1.067 30 10 HDEE CCONC(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1300272003 QMAXHASGNPCGOC-KRWDZBQOSA-N 402.451 1.576 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1300325326 XVILLHVCKINQBX-JTSKRJEESA-N 413.522 1.780 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492682 ONQOUMHNLLORGG-RBUKOAKNSA-N 419.595 1.903 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300990526 FRXOPDDGLKGMAH-GOSISDBHSA-N 414.510 1.583 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301458917 JVDZZUSIYFYMAN-MOPGFXCFSA-N 410.522 1.707 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301491732 WPIDCFAGHDUNPJ-CKJXQJPGSA-N 412.494 1.415 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 1307998872 AAKGTDABHWACHR-ICSRJNTNSA-N 403.483 1.084 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2cccnc2)n1CCCn1cnnn1 1314729481 NVVQGBSHZOKWJO-UHFFFAOYSA-N 414.477 1.849 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1357693595 FQQXLZYUFULZPC-INIZCTEOSA-N 424.519 1.355 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCC2=O)cn1 1358079486 CJEAMLCUSGEBHZ-MRXNPFEDSA-N 410.453 1.523 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C(C)C)N1CCOCC1 1358991087 NHMQUDDTQRNFSU-HXUWFJFHSA-N 409.538 1.498 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1358992757 WAVYOHVDMWIVDN-OALUTQOASA-N 412.538 1.193 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC)CC1 1359034038 ACMKGNLDCPEOLH-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(O)(CC)CC)CC1 1359037283 CWEIDMYWUGIICJ-UHFFFAOYSA-N 402.568 1.940 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359334717 OMGCORLBAFFZEN-ZDUSSCGKSA-N 408.446 1.599 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)CS(C)(=O)=O)ccc2c1=O 1457994335 JNVPPBRLLKBBRR-UHFFFAOYSA-N 409.533 1.672 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](N4CCOCC4)C3)CC2=O)cc1Cl 1468181108 HJKMXFVZHPPDOM-SJLPKXTDSA-N 416.909 1.888 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H](CS(C)(=O)=O)c3ccccc3)CC2)c1C#N 1468578492 HRFHDNKRSNAVNQ-QGZVFWFLSA-N 418.544 1.800 30 10 HDEE COC(=O)c1ccn(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1469888900 HMZWZQRMMVQXOH-UHFFFAOYSA-N 419.445 1.280 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)CC1 1471450471 ALHJLVOMBBDSEL-UHFFFAOYSA-N 403.548 1.628 30 10 HDEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C(C)(C)C 1473808196 ADOQTZBHFROWOD-VBKFSLOCSA-N 400.504 1.968 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCCS(=O)(=O)N3CCSCC3)cc21 1477135771 MCBGKHKBQTUZPP-UHFFFAOYSA-N 409.537 1.722 30 10 HDEE N#Cc1ccc(CCNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1478524691 WJMLTJCDQMBAKE-UHFFFAOYSA-N 408.430 1.657 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1494589991 GXIYCEXHQKEDSK-IIBYNOLFSA-N 409.469 1.979 30 10 HDEE CCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cn1 1501258492 BDBIQMKWAHVLRK-HOTGVXAUSA-N 411.466 1.190 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1503213564 HDZYVCHXVDAQQP-GOSISDBHSA-N 412.494 1.286 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1507538115 KKKKOAINLDXYRS-APWZRJJASA-N 415.563 1.748 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1507617028 QIUCVKAKNMLZLL-KUHUBIRLSA-N 422.938 1.811 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(OCC(N)=O)c1 1507620897 KPNCNUCSJDRCHD-UHFFFAOYSA-N 410.503 1.616 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1507681167 TUQKWYVYZUPBLT-UHFFFAOYSA-N 413.507 1.490 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)NC2CCCCC2)CC1 1507725253 RWKWDGVHZZKXCB-UHFFFAOYSA-N 407.522 1.544 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1507790956 GBWOJUKVJKXEFF-XHSDSOJGSA-N 405.499 1.397 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507799922 SUEZAHXMILKJOG-YVSFHVDLSA-N 412.556 1.633 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512908687 MONARMZLEAVBSQ-DXNFXHBHSA-N 402.499 1.791 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1516756344 DKEHHOYNYPNPGW-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1517670797 PLCTWWITRRIFQC-IERDGZPVSA-N 408.462 1.294 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1526520745 SPGMDSNIURNKLD-MOPGFXCFSA-N 408.520 1.490 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 1534632632 CADIJVJPWXDSGG-STQMWFEESA-N 405.542 1.520 30 10 HDEE CO[C@]1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCS(=O)(=O)C1 1535382992 CUFLMIJLYOIPEF-IBGZPJMESA-N 401.444 1.679 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCN1CCCS1(=O)=O 1537909314 HNKICYPZNOZZDL-AWEZNQCLSA-N 402.517 1.115 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539211020 FPKULTPLMDAKGA-KXBFYZLASA-N 406.508 1.634 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1539219202 BLPYAGQHDYSVHX-BRWVUGGUSA-N 424.592 1.552 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1539231370 RSKTYDSLWZJMBZ-BZSNNMDCSA-N 424.567 1.675 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1539253200 OGYRTMXMCKRVGO-KRWDZBQOSA-N 409.465 1.652 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1CC 1539295466 AUPPXJMEMJDMGD-QGZVFWFLSA-N 413.547 1.962 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCN(C)C)CC1 1539435793 AVZCAEKARVXETQ-UHFFFAOYSA-N 417.945 1.327 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1539675779 WHSZTYLGFOLPKG-CVEARBPZSA-N 401.467 1.284 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539722802 SIHDSMNSRKOLDG-SFHVURJKSA-N 420.558 1.310 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539770265 HXEXXQJPAADEQD-KRWDZBQOSA-N 422.961 1.815 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 1540324000 SZWYFFDXFGSTRY-CYBMUJFWSA-N 407.430 1.803 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1540372427 SRCXNGCJNRNMLQ-UHFFFAOYSA-N 406.335 1.944 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnn2)C1 1540883304 XIJPLRCKMPNNJK-INIZCTEOSA-N 423.481 1.389 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1OC 1546579203 HGKNRRNFFNHNLA-QRVBRYPASA-N 424.505 1.583 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2Cc2ccc(C(N)=O)nc2)cc1 1555990836 IAYYTKQHQVWEOO-UHFFFAOYSA-N 403.446 1.871 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3cnc(O)nc3N)CC2)c1Br 1556224346 WTNNLSFYCZKBTI-UHFFFAOYSA-N 403.240 1.361 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 1557384559 RLGFOTZBLNJWLY-GOSISDBHSA-N 403.460 1.320 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1558709571 BXXDUVDJWSGFQH-CQSZACIVSA-N 420.422 1.371 30 10 HDEE C#C[C@@H]1CCCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1559947329 PZPFCFIPQQHWEL-JKSUJKDBSA-N 419.526 1.044 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc(Cl)c(Br)c1 1561406843 NISDRKNOSHEQII-UHFFFAOYSA-N 403.707 1.377 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1OC 1565644456 RVMZSUZRHQXCHK-CVEARBPZSA-N 418.494 1.936 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CCO2)cc1 1585446360 RXUQSAINQPUWKI-VQTJNVASSA-N 421.432 1.717 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1587718922 QJDSSKINEPTBSQ-UHFFFAOYSA-N 406.490 1.915 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587838531 YPQDGFJTXZLWDJ-WIYYLYMNSA-N 423.565 1.686 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1587847291 IFCUEQCQKIGKDB-AWEZNQCLSA-N 419.507 1.433 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)CC2)cc1 1587955801 HBSILKGYOFHMLE-UHFFFAOYSA-N 400.442 1.805 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1588054556 OFYLTYRVNHNOIZ-GJYPPUQNSA-N 424.592 1.694 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2OCCC2(C)C)CC1 1588733645 XGGWFESXRMKHNH-KRWDZBQOSA-N 423.521 1.496 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1589059055 ANKSHFBRDCPSDM-GDBMZVCRSA-N 401.492 1.767 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589069360 KDZGTJDVEGFTNE-HZPDHXFCSA-N 404.540 1.095 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1595866791 WVXJXSBXGUXHAU-HNNXBMFYSA-N 422.580 1.729 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C[C@H]3CCCO3)C(=O)OCC)cc2C1=O 1611571256 PVFTZJBSJRKOSH-PBHICJAKSA-N 400.431 1.699 30 10 HDEE CCc1nnc(N2CCO[C@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614045200 HIKIVNRLQSGZIJ-OQLSDQBISA-N 422.489 1.945 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NC(=O)COC)cc2)s1 1618364704 PNGZXBJBWAJQPW-UHFFFAOYSA-N 423.516 1.979 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1=O 1618455532 BGNVYIKOZUECME-NRFANRHFSA-N 404.478 1.665 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 1623848378 VMYWRELZCSTEAB-WMLDXEAASA-N 400.479 1.680 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCCNS(=O)(=O)c2ccc(F)cc2)CC1 1623969969 XRIZBMLBSKMNPV-UHFFFAOYSA-N 411.455 1.190 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([S@](C)(=O)=NC)c2)cc1 1624091430 SQHXFKJWAKTHHE-SANMLTNESA-N 405.501 1.937 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1624424207 STNPMLPVEMDWRP-QRVBRYPASA-N 402.516 1.394 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1627751588 DRYIFCRQLFXOGQ-HRAATJIYSA-N 401.463 1.776 30 10 HDEE C#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 1627883530 WBBZWAJVSYFVBK-SFHVURJKSA-N 400.504 1.725 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccsc1 1629581483 DLTRUVKZFYYLGV-HNNXBMFYSA-N 420.560 1.877 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc(OC)c1OC 1630469177 MYPUQABCVPZFCW-HOTGVXAUSA-N 420.462 1.536 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCCCCCS(N)(=O)=O)CC2)c1 1631704337 KNXOLYHPCSEJBL-UHFFFAOYSA-N 406.552 1.878 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 1633140906 NXUQWKGKPNVKOP-OALUTQOASA-N 407.470 1.955 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)C1=O 1635568229 NBIDRCITHWIISD-HNAYVOBHSA-N 404.471 1.615 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1635882214 PBEMQHPOPHGRAK-ROUUACIJSA-N 412.465 1.911 30 10 HDEE C#C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@@H]1CCO)c1ccc(Br)cc1 1636563190 UOWXZAIYRGKTRG-LSDHHAIUSA-N 415.309 1.314 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1637512776 FOEYVDCFEXATAB-XBXGTLAGSA-N 417.466 1.287 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C(=O)OC 1637696853 JWRCHOFTCSJVLR-QGZVFWFLSA-N 422.503 1.555 30 10 HDEE CN(C)Cc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Br 1638779645 XEYOJAIIQWQNHF-UHFFFAOYSA-N 406.240 1.283 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(c3ncc(C#N)cc3F)CC2)c([N+](=O)[O-])c1 1639272157 LWNPIFVFOWOXSY-UHFFFAOYSA-N 405.411 1.731 30 10 HDEE COC(=O)c1c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc2n1CCC2 1641422069 MNFBLGWAVXNUJD-UHFFFAOYSA-N 402.432 1.041 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](O)[C@@H]1CCCO1 1641442029 KFUWZVHGTUHQAI-KBPBESRZSA-N 413.268 1.754 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1641631161 HOQOQWHGKUJZIJ-SJORKVTESA-N 423.558 1.347 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)Cc3cncs3)C2)C1 1641768526 FWHBVPRDDUOVTM-LNWMTBOKSA-N 420.535 1.950 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1 1643372534 PRLZCPJNWZNSTQ-UHFFFAOYSA-N 417.453 1.640 30 10 HDEE N#C[C@]12CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1648503752 UITDHXZLWVLRBG-YLQAJVPDSA-N 424.320 1.425 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1654747263 PXEAHYCXLJYHLK-SJORKVTESA-N 412.408 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC[C@@H](O)COc2ccc(CC#N)cc2)C1 1660169709 AGPIZSRKPSPSRJ-GCJKJVERSA-N 419.522 1.844 30 10 HDEE C#C[C@@H](NC(=O)Nc1nc(CS(C)(=O)=O)no1)c1ccc(Br)cc1 1669724094 KJJWMDSPZAATBR-LLVKDONJSA-N 413.253 1.873 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3nc(COc4ccccc4)n[nH]3)CC2)cn1 1681788407 CSNUGAIXKCUEFT-UHFFFAOYSA-N 418.461 1.682 30 10 HDEE N#CC1(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)CCOCC1 1682665789 YTUCPKVSORLQJR-UHFFFAOYSA-N 410.272 1.193 30 10 HDEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1684557168 FPAGTWJBBJLWKU-IRXDYDNUSA-N 416.588 1.660 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CC(=O)N(C)C)CC1 1690113777 ULXBUEZZSPDUAE-UHFFFAOYSA-N 417.517 1.645 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)C2CCCCC2)CC1 1690120329 QUBNIYLVQPRGSK-JOCHJYFZSA-N 411.554 1.765 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690174541 DZFVEBNCYNVAAP-KURKYZTESA-N 405.568 1.305 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](C2CCOCC2)C1 1690723838 BXMLEOWLZMWITF-ROUUACIJSA-N 424.567 1.636 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1691504021 SMXWHGDNTMKTIH-HNNXBMFYSA-N 400.483 1.893 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1697989405 YZZYYWHQWMWCBY-SFHVURJKSA-N 411.510 1.097 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1698172722 XTTUOMYRPPCEPJ-HIFRSBDPSA-N 406.874 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1705477409 NRXBFWFONZYHBO-KBPBESRZSA-N 423.514 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1705490264 GJPDPCMKUCHIEK-IVZQSRNASA-N 422.489 1.455 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1705537001 QBGIIUKSRXVWDY-UHFFFAOYSA-N 408.550 1.735 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1705550962 CKUNQSYMZRWGSK-HOTGVXAUSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564797 CQYSQOSNPQICTF-HLLBOEOZSA-N 400.508 1.579 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1705629147 YHEFCFILEUUZLQ-QZTJIDSGSA-N 414.510 1.269 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H](OC)C(C)(C)C)CC1 1705634612 DCUCNKDVOUHPKO-MSOLQXFVSA-N 407.559 1.818 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705643623 MTNGDZWYUCDABR-WOJBJXKFSA-N 416.570 1.242 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705659903 JAJAEVWMCAELPS-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1706074986 HTLYHFCSTMKZGV-KGLIPLIRSA-N 422.486 1.389 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccn(C)n1 1706077108 GCIQQBCNJXTYCM-AWEZNQCLSA-N 412.523 1.842 30 10 HDEE CCN(CCC#N)C(=O)CN(C)C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1713895034 MPBDCZSUUYTVQR-SIFVSHMBSA-N 402.539 1.342 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1722372435 WRAFUONAKAZBGT-SFHVURJKSA-N 414.531 1.936 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1722408747 QLDZLQCTHDKFAW-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@H](C)C2)CC1 1722431936 QOLCNJKTNTYELK-MSOLQXFVSA-N 423.521 1.496 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCSC1 1722476444 VVFHXEFCCFXNJZ-UXHICEINSA-N 400.552 2.000 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1722500137 PTOBBJCMGNZDGU-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1722566713 XOZXXODDMWALEW-IRXDYDNUSA-N 409.556 1.958 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC2CC2)CCOC1 1723665391 VBJOYVZTBRSAJN-FOIQADDNSA-N 404.515 1.583 30 10 HDEE CS(=O)(=O)CCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731005808 XYNKNYBCGKXPAQ-UHFFFAOYSA-N 402.480 1.125 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1740589966 DPVDWXDUBRJYJV-QGZVFWFLSA-N 421.567 1.336 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740628155 VSWFNCFXKXTSOW-CQSZACIVSA-N 408.553 1.312 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)cc2)CC1 1740697929 JAJCDSPPLOCRDY-UHFFFAOYSA-N 420.542 1.833 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1740706099 RFJZCPBYIHQAOD-YQVWRLOYSA-N 415.538 1.563 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740796162 QSGLUPKNCBKXBP-UWJYYQICSA-N 419.526 1.377 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNS(C)(=O)=O)CC1 1740837504 XIUKPNZMTRVUFH-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740854179 DLQRLTNZYIRAFC-ZWKOTPCHSA-N 408.506 1.915 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnnn2C)C1 1740983525 KJNUBCXOVVGSHV-MRXNPFEDSA-N 400.512 1.592 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1743373463 CGLAMUIYGMGEDJ-VFYFULIZSA-N 418.523 1.598 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)cc1 1744349052 PBHAMPYHHYXNRI-IBGZPJMESA-N 420.473 1.972 30 10 HDEE CCn1cc(CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1746349811 LRUBRDAWIKCULG-ZZEZOPTASA-N 424.509 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1748639356 FZHMZSQZLJWPQM-IOSXPMGOSA-N 411.572 1.942 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748793441 AQGOLPGEVMYZBM-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748824140 JRCGOBOLNNWGMA-SFHVURJKSA-N 424.567 1.648 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748824761 SQNRJOQGWNOBMR-QGZVFWFLSA-N 410.540 1.258 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1748925124 CUDWETLEJAGYQI-UHFFFAOYSA-N 418.542 1.940 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1snnc1C 1748964515 DUKFJTYUTVZHEZ-UHFFFAOYSA-N 422.518 1.811 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749096201 IAVGYLLKXBBJQD-CQSZACIVSA-N 422.331 1.940 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC(C)(C)C)C1 1749697110 HLYHGYNXTGWWAR-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1750060069 DAJAPZFTMDKAGV-UONOGXRCSA-N 406.512 1.025 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1750069976 PCMGWJHSQLXEKB-CABCVRRESA-N 416.482 1.797 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCOCC2CC2)cc1 1750385000 YARPGZYWESPCFD-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1751719929 QNAIJAVNILXLRO-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE Cc1cnn([C@@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)c1 1751722156 GNVLHJYMCFJEOT-OZNQOIHVSA-N 410.482 1.459 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1760157683 YCMSEORTHPTQEW-UHFFFAOYSA-N 412.473 1.070 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1760184160 WDAJZMMOKUWDQW-HNNXBMFYSA-N 421.548 1.153 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189558 VILNQFDBXAXXGZ-BZSNNMDCSA-N 422.551 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCC(=O)N(C)C)CC1 1760255702 NYDJWNAUXBGDSG-UHFFFAOYSA-N 406.490 1.925 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1760521410 SADOVPDJTDQYGV-UHFFFAOYSA-N 417.901 1.949 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760522414 SOKOTUVRIKMZMF-NRFANRHFSA-N 405.543 1.943 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCNS(=O)(=O)CC)C1 1760540217 DCMZYIHECPYJFA-HNNXBMFYSA-N 423.514 1.805 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccc(OC)cc2)nnc1N1CCOCC1 1760557276 GOFZMSRFZJTVIM-UHFFFAOYSA-N 420.535 1.509 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCOC(F)(F)F 1760688309 FQPHJWBGKBEYEC-QWRGUYRKSA-N 412.438 1.411 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1770330236 DTWZMSGTVKPVAE-UHFFFAOYSA-N 412.475 1.802 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(C)n(C)c1=O 1771111155 ANBDMLGKMFUQBO-UHFFFAOYSA-N 408.466 1.157 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCOC2)CCO1 1771539246 ROQBEEKZDSNXKM-OALUTQOASA-N 412.494 1.436 30 10 HDEE Cc1nc(C2CCN(C)CC2)sc1C(=O)N(C)C1CN(c2nccnc2C#N)C1 1849733491 OPBMSMWXYRSRSQ-UHFFFAOYSA-N 411.535 1.883 30 10 HDEE O=C(NCC#CCN1CCCC1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1850103138 KRPNSNFKEHUMLA-UHFFFAOYSA-N 407.511 1.442 30 10 HDEE C#Cc1cc(C(F)(F)F)cnc1NC(=O)[C@@H](C(C)C)N1CCS(=O)(=O)CC1 1851739358 RQAITHPGMQIGSH-CQSZACIVSA-N 403.426 1.775 30 10 HDEE N#Cc1cnc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1 1852661804 YKBISRUKWHAHPK-KRWDZBQOSA-N 424.892 1.955 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1ccc(N2CCOCC2)nn1)c1ccc(F)cc1 1852849890 UKRRPEIUAQAMSZ-UHFFFAOYSA-N 416.482 1.974 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2ccc(OCC)cc2)C1=O 1853789713 MWEOQSARAJKZEC-PMACEKPBSA-N 413.518 1.864 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(Cc3ncno3)c3ccccc32)CC1=O 1853895022 HTKLZBKFCFMVPZ-GJZGRUSLSA-N 409.446 1.763 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccc(OCC)nc2)C1=O 1854303168 VZSFSTNPAHIUNX-ROUUACIJSA-N 414.506 1.720 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2=O)C1 1854317407 KOWGOWDZFIMTRA-IBGZPJMESA-N 408.433 1.916 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CCCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885245 UFPUCLGWALZJPG-WMZOPIPTSA-N 416.501 1.761 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855012341 ZSOMEESSPWMCKE-QZTJIDSGSA-N 411.568 1.464 30 10 HDEE N#Cc1ccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1 1855421195 PKXYNLCJKXOLEX-MRXNPFEDSA-N 400.412 1.655 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2COCCO2)CC1 1855594557 YYYPKFHJGZAXAG-SFHVURJKSA-N 420.487 1.249 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)cc1 1855734627 UHWVLRKOIBRMCM-MRXNPFEDSA-N 411.483 1.857 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855737619 HOZFGSADPQAODR-CJNGLKHVSA-N 407.467 1.835 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nn(C)c3c2CCC3)CCN1CCOc1ccc(C#N)cc1 1855879928 PUDUWYYYCSZFEV-OAHLLOKOSA-N 407.474 1.532 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855997014 JHQXGERTSJXWIY-IRXDYDNUSA-N 416.547 1.855 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 1856235319 GAZHTXAZORJWQZ-HOTGVXAUSA-N 402.520 1.323 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC[C@@H]4CCCO4)C(=O)C3)C2)s1 1856327027 PHSGZHFCGDJHRU-SJORKVTESA-N 416.547 1.824 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)[C@H]4CCCCO4)C3=O)CC2)n1 1856970527 IWIGLOFRSGNLOO-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)CSc3ccc(F)cc3)C(=O)C2)C1 1857164868 TXVVQDNBVRNVBN-QGZVFWFLSA-N 404.511 1.967 30 10 HDEE Cc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)nnn1-c1ccccc1 1857384528 PJXGIXNGXRWMSS-UHFFFAOYSA-N 400.442 1.932 30 10 HDEE Cc1cc(S(N)(=O)=O)c(C)cc1OCCNS(=O)(=O)c1ccccc1C#N 1858022087 KJPOAGXYQBVNGM-UHFFFAOYSA-N 409.489 1.180 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1 1867020006 QURYZAICPOLRBV-SFHVURJKSA-N 415.471 1.365 30 10 HDEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CNc1ccc(S(N)(=O)=O)cc1 1871146769 YTTMAUJNPMSITA-UHFFFAOYSA-N 421.475 1.236 30 10 HDEE N#Cc1cccc(C[S@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074703098 UHSBYASDQRMKRE-JYRCXFKTSA-N 401.444 1.972 30 10 HDEE C#CCN(C1CCOCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089704479 DUEVPJDZZPHSHW-UHFFFAOYSA-N 418.515 1.897 30 10 HDEE Cn1cc(Br)c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)n1 2102371447 FSUMWXPFAZPKLM-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1 2174781248 DCZJWAARDDMEKR-JKSUJKDBSA-N 403.545 1.806 30 10 HDEE CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC[C@H](C#N)C1 2174783406 BWQDTXWCMKNGNU-PBHICJAKSA-N 402.517 1.082 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@](CO)(C(F)(F)F)C1)C(F)(F)F 2180827293 DPPAQVKGHQIBMI-BDAKNGLRSA-N 404.229 1.759 30 10 HDEE C=C(CNC(=O)Cc1csc(NS(C)(=O)=O)n1)B1OC(C)(C)C(C)(C)O1 2197726591 JBRFEOVIGMZJAI-UHFFFAOYSA-N 401.319 1.361 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2197782080 KYFUFJHDCWPEAI-HNNXBMFYSA-N 400.541 1.919 30 10 HDEE CO[C@H]1CC[C@H]1CS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2239423547 REWGHFMWNVSSNM-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243394670 LDAJWNUKNLHEAJ-KBPBESRZSA-N 410.320 1.957 30 10 HDEE CC[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247823609 QGSCTMBXZBJQSK-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828496 OKMCUMSVQPZOGX-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912754 LMTJGGIZELGTMR-CHWSQXEVSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2247931080 LAMLIDADASJVNR-YCRPNKLZSA-N 420.315 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2247933468 XOHSQMZJAHXXKN-QVKFZJNVSA-N 420.315 1.906 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248403412 DORWODJRNDXFEP-AWEZNQCLSA-N 423.319 1.464 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248405788 WWQSTKHCVBTUNV-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2267544441 UQBIKWFAUVVFHG-UHFFFAOYSA-N 406.313 1.812 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N(C[C@H](C)C#N)C1CC1)NC(=O)OCc1ccccc1 2270494126 JJTHBCUHRXBVIO-PBHICJAKSA-N 423.491 1.408 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1CC(CO)C1 2282322020 FBUAVFJBQAIYFF-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE C[C@@H]1CCS[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329406 LSRUVZZITKJRGN-NEPJUHHUSA-N 401.363 1.139 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282331122 JUHGGJYZRNOBSR-JTQLQIEISA-N 415.264 1.903 30 10 HDEE CCN1CCC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331381 MRGCBFZSVWGHQT-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337022 ISNUEAKDTUQGQW-KRWDZBQOSA-N 401.359 1.900 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC(F)F 2282494567 ZHUKHRIQKQEOGR-VIFPVBQESA-N 412.289 1.489 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)CN(C)C)c1B1OC(C)(C)C(C)(C)O1 2282498604 GZYZVEHYTYIWPT-LLVKDONJSA-N 402.391 1.893 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2282504035 IZQGIGHUJZEXPK-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506150 NZUFGSIHDQRMNW-NWDGAFQWSA-N 400.737 1.749 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H]1O 2282828076 IGZNEFDKOLHHQG-FZMZJTMJSA-N 401.721 1.641 30 10 HDEE CN(Cc1cnsn1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282830112 PGHCHKQHIISBGD-UHFFFAOYSA-N 416.359 1.256 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282837297 TVFHHAWUQQSZEB-LLVKDONJSA-N 419.761 1.753 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)CC(F)(F)F)s2)OC1(C)C 2282851867 IHGILDXXSHOIQH-SECBINFHSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CCO)C(F)(F)F)c2)OC1(C)C 2282852645 RWFBQWRDNKIUSB-SNVBAGLBSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC([C@@H](F)C(=O)O)C3)s2)OC1(C)C 2284396167 UFSXCPXTBYYCNX-GFCCVEGCSA-N 405.278 1.091 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@@H]1C(=O)O 2284408102 SCLOUFGAIFEDCU-MNOVXSKESA-N 401.315 1.355 30 10 HDEE CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284410203 ADBLUHHTORECNN-KLPPZKSPSA-N 401.315 1.531 30 10 HDEE C[C@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284416247 VSZMRYKDNMOQDX-WDEREUQCSA-N 401.315 1.531 30 10 HDEE CCCSC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284468096 LWNIKGFTBYTFBC-LLVKDONJSA-N 400.331 1.769 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)cc1 2297645918 YELSNUWEOXIGAG-UXHICEINSA-N 406.442 1.474 30 10 HDEE COC1(C#C[C@H](O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CCCCC1 2363653358 ZCRQDCKZCAGMBP-KXBFYZLASA-N 401.525 1.782 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N3CCC[C@H]3C3OCCO3)cc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c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)c(OC)c1 59310845 LWXKGTRRDZEDMB-CNHKJKLMSA-N 416.467 1.732 30 10 HDEE CCC(=O)NCc1nc2c(n1CC)CN(S(=O)(=O)c1cccc(C#N)c1)CC2 65284686 DMKGDCREZVDJQK-UHFFFAOYSA-N 401.492 1.548 30 10 HDEE C#CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 111047684 CYCMPPZMZSNGGC-GFCCVEGCSA-N 404.391 1.827 30 10 HDEE COc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc(Br)c1OC 169897907 MEAODNBCEXECCE-LSCVHKIXSA-N 411.256 1.839 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 409533594 FKPUJUKJGYKJNK-CCLIWJKGSA-N 408.568 1.683 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 433907040 IPFNIVCTSCQFDJ-UHFFFAOYSA-N 418.457 1.894 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCC(F)(F)F)CC1 440243605 NNEZVFIGGINQAY-UHFFFAOYSA-N 404.414 1.917 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447268949 YMWLVHLBVIOCMW-UHFFFAOYSA-N 414.437 1.273 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 462757833 UHLLXQPGYRQJRS-OAHLLOKOSA-N 416.503 1.804 30 10 HDEE C[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)n1cnc(C#N)n1 467253149 HPKUJHYECFLJEO-MRVPVSSYSA-N 402.358 1.740 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 482147176 CLCYDILTLHRPOX-NVXWUHKLSA-N 418.519 1.086 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN2CCCC2)CC1 482182160 PNHGKGPTEAPHQY-MRXNPFEDSA-N 404.536 1.559 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CC2)C1=O 485463617 DHDRXNDHAFWASG-UHFFFAOYSA-N 405.414 1.902 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cs1 488794666 LVJYUZDQICKFQF-UHFFFAOYSA-N 412.518 1.018 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 500470062 TUBZYXGDRPTQDG-ZDUSSCGKSA-N 403.460 1.731 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 505698976 FNFHNJNQTMDOHS-HIFRSBDPSA-N 414.531 1.249 30 10 HDEE CC1(C#N)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 506025903 BOZAKURIIJIHRJ-UHFFFAOYSA-N 406.508 1.272 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508802975 UVLIESHTBWINHF-CQSZACIVSA-N 423.481 1.686 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C[C@H](C)C#N)C1CC1 513667981 XXMAYACQABPMSZ-CQSZACIVSA-N 422.507 1.872 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccc2)c1=O 514913600 AUNFKVALNFLTPK-UHFFFAOYSA-N 415.584 1.938 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2)N(CC)CC)CC1 522308935 NKGCOTYOYOVVOA-FQEVSTJZSA-N 401.555 1.699 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(Cl)c2OCCOC)CC1 525372461 PZFRDHZFVPMSDN-UHFFFAOYSA-N 410.902 1.817 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2)o1 525995782 LCBDFJRWGXESBX-INIZCTEOSA-N 413.453 1.671 30 10 HDEE Cn1c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnc1-c1ccccc1 535554610 YIWNNMDLLMROLC-UHFFFAOYSA-N 422.514 1.860 30 10 HDEE CN1C(=O)CN(CC#CCN2CC(=O)N(C)[C@H]2c2ccccc2)[C@@H]1c1ccccc1 551450224 FFQYGLFUJJKYPH-DNQXCXABSA-N 402.498 1.935 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CCCCC1 553904642 DVQUNVNOSSGBND-INIZCTEOSA-N 411.549 1.843 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@@H]2CCCCO2)c1 555478761 APIJAEVCQXEVHS-PMACEKPBSA-N 408.506 1.907 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 568653782 OZRACLHDDCJKDC-SJORKVTESA-N 421.567 1.595 30 10 HDEE C#CCN(C1CCN(C(=O)OCC)CC1)S(=O)(=O)c1ccc(OC)c(OC)c1 586175576 UKPYBHFVNZMUCB-UHFFFAOYSA-N 410.492 1.949 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cccc(N3CCCC3=O)c2)CC1 604182418 IJWSSTYNDILUEF-KRWDZBQOSA-N 413.522 1.504 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCc3nn(Cc4cccc(F)c4)c(=O)n32)CC1 675012556 OEJSMDONPLAANW-IBGZPJMESA-N 413.497 1.830 30 10 HDEE CN(Cc1csc(C#CCN)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703972272 RVFICJIVBSIUEP-UHFFFAOYSA-N 417.512 1.116 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 726577052 GMPODTSIOAGJSE-AWEZNQCLSA-N 419.510 1.944 30 10 HDEE COc1cc(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c([N+](=O)[O-])cc1OC 732700644 KXGODLXKOKBLPB-OAHLLOKOSA-N 403.439 1.536 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CCN1C1CC1 732707281 YZNYMKJQVWVCFF-ZWKOTPCHSA-N 412.490 1.772 30 10 HDEE C[C@]1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCO1 756551887 BIILZDAYBGCPAY-HXUWFJFHSA-N 414.418 1.567 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758645614 RSPMXPKHDJLUQZ-HIFRSBDPSA-N 409.464 1.511 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 759351377 NZCDKLJFSZMDJK-VQTJNVASSA-N 419.547 1.109 30 10 HDEE Cc1cc([C@@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCO2)ccc1F 764410015 YMGQTWLXQPYASK-NSURYPBFSA-N 402.426 1.743 30 10 HDEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCC(=O)N(C(C)C)C(C)C 765594795 WXXUAKRFJWKVQJ-UHFFFAOYSA-N 417.466 1.045 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccc2c(c1)OCCO2 766324787 AFCLPJVEXDCKSF-CYBMUJFWSA-N 402.428 1.740 30 10 HDEE COc1cc(C#N)ccc1COC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 766880866 NIRSZXSSZYTBQO-UHFFFAOYSA-N 408.407 1.648 30 10 HDEE CCC1(CC)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@@]1=O 769633578 WLAXRHHMZJIMKD-SANMLTNESA-N 411.549 1.265 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774169656 DFQYAFQZRWYSNM-UKRRQHHQSA-N 410.492 1.605 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 776968455 RFXPHVNILFODCR-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780892363 FXYLGABEYBULKE-MGPUTAFESA-N 410.449 1.902 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NC[C@H](O)COc2ccccc2Br)cc1 780983315 LYHYRKWKVXIZKR-YOEHRIQHSA-N 405.248 1.910 30 10 HDEE CC(C)(C#N)CC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 785077520 IZDZYSJSJWWFRR-MDWZMJQESA-N 419.503 1.614 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O)[C@@H]1CCS(=O)(=O)C1 788936287 OHQRUPIDNWFMKP-QZTJIDSGSA-N 417.531 1.549 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C[C@@H](C)O2 797775771 KONKQSBNBKJGCB-STXHMFSFSA-N 421.519 1.300 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 800773349 HWJUGPTZHOFPOH-HUUCEWRRSA-N 409.487 1.282 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849491080 QVAKLKBTPCRZIU-SFTDATJTSA-N 421.549 1.849 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 916178197 OKBKJYMTTCGJQV-VYDXJSESSA-N 422.532 1.230 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 1116539445 VOZGWOBKCBGILD-IERDGZPVSA-N 401.463 1.893 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)C1 1134522330 PPXWCCIWTTWGDG-CYBMUJFWSA-N 417.393 1.951 30 10 HDEE C#CCN(CC(=O)Nc1n[nH]cc1I)C(=O)OC(C)(C)C 1148286112 INHOEPROCUAITD-UHFFFAOYSA-N 404.208 1.823 30 10 HDEE CC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1154303900 FBRHTZWJQCEESC-UHFFFAOYSA-N 403.504 1.787 30 10 HDEE C#CC[C@]1(C(=O)N2CCCN(CC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1154931897 WZXJKCAGSIFWEM-JOCHJYFZSA-N 420.554 1.402 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1 1154959651 VJQXIJYYZQIWIJ-CYBMUJFWSA-N 413.337 1.988 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c1 1156867653 XVAWPTCCEICIRP-QFIPXVFZSA-N 407.474 1.084 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1160097075 GATBWHVIAAWBKG-MJGOQNOKSA-N 408.520 1.042 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1165588550 WCNMNWZRKWIRSP-ZDUSSCGKSA-N 412.471 1.492 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccsc3C#N)CC2)CC(O)C1 1166623086 PKQMZZDQCAZVNB-UHFFFAOYSA-N 420.535 1.934 30 10 HDEE C[C@@H](CC(=O)Nc1cccc(-c2cn(C)nn2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1167414136 RVPSIYJXCMIBML-ZDUSSCGKSA-N 424.486 1.938 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@@H]1CCO 1176335785 PZRUZTRPTZWCGR-CABCVRRESA-N 411.549 1.358 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@H]1C(=O)OC 1178544290 YYCJGFRFOUPCIQ-VHDGCEQUSA-N 407.492 1.352 30 10 HDEE CCOC(=O)c1cn(CCNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)cn1 1212044918 BWGYAHLOLFNIBN-UHFFFAOYSA-N 416.381 1.929 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1217240450 ORQIIFVGYOWGQI-CABCVRRESA-N 413.496 1.475 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)c1ccc(Br)cc1 1230499525 YFHTWPQPLCDYFZ-WFASDCNBSA-N 414.325 1.799 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1251158382 VZCCENYDFVPEFH-LSDHHAIUSA-N 409.483 1.003 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1cc(Br)ccc1Cl)n1cnc(C#N)n1 1256523518 PALLWSLKXNZFBI-SSDOTTSWSA-N 418.660 1.632 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1264226031 QXYDBASQPUCYJT-MRXNPFEDSA-N 415.462 1.269 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CC(=O)N(CC(F)(F)F)C3)c2C#N)C1 1280415127 GCNBVLOLWGHPNG-SNVBAGLBSA-N 414.409 1.874 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286294387 WGNWMVJMXZIRFV-RHSMWYFYSA-N 415.519 1.280 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1286361903 UXDJMDSZGXJRRS-DLBZAZTESA-N 410.588 1.326 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1CCOC1 1286370508 NAGZJKTVKRWTLI-HNNXBMFYSA-N 402.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1286413549 KZRLNNHUDMBGRA-VXKWHMMOSA-N 419.529 1.928 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1 1286413696 MVCSIIGDAWYPBE-IBGZPJMESA-N 407.474 1.505 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1 1286442367 WOCQWYLWYYHIAL-UHFFFAOYSA-N 408.453 1.969 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC1 1286466524 ZMHFDBYSLZIZST-SFHVURJKSA-N 403.527 1.123 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccco2)CC1 1286494407 NXXGIWKBTQIACD-UHFFFAOYSA-N 424.505 1.219 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1286723259 JQPHPBLYUHOLOM-PMACEKPBSA-N 424.549 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1286820803 RZIIVBBETAKETO-UHFFFAOYSA-N 409.556 1.595 30 10 HDEE N#CCCN(CCC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1291936111 QCXRRDFIUFHQRH-UHFFFAOYSA-N 406.464 1.172 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1296347289 ANXIJZSTHSGAFQ-HZPDHXFCSA-N 420.495 1.161 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1296621577 KYFJNRUOVLLTDV-NHCUHLMSSA-N 420.558 1.638 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)N(C)Cc1nnc2n1CCC2 1297324125 YXRXENIAYBYEBU-HXUWFJFHSA-N 419.489 1.990 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-c2nnco2)cc1 1297439206 FIDLZMXVRYNJJE-ZDUSSCGKSA-N 411.443 1.591 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1298089542 YSDHLJLQTNTOHA-SFHVURJKSA-N 411.510 1.097 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1300352798 PQYYKOBRUSQTOT-GOSISDBHSA-N 411.462 1.429 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1300370882 GHTHKLYOHTYRSU-SFHVURJKSA-N 412.538 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCOC[C@@H]2C)CC1 1300731502 QKXAXKPSQNXULJ-FUHWJXTLSA-N 403.527 1.453 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1301520307 WKQCMKLEEPHNDM-UHFFFAOYSA-N 406.531 1.200 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1 1301587857 YJYCUGNHYHBZFP-UHFFFAOYSA-N 420.564 1.975 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)cc1 1302988928 DVKDZFZBTCOEGZ-SFHVURJKSA-N 417.429 1.455 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1313096902 HHYPPZNWKBIAEM-GJZGRUSLSA-N 409.483 1.076 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCCO2)n1 1329546474 WABALBYMSGSAML-WOJBJXKFSA-N 424.553 1.885 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1 1357412517 FFWJJAJSMGNJEM-AWEZNQCLSA-N 403.298 1.343 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nc2ccccc2[nH]1 1358977259 IHWUZGJWPSKRMG-SFHVURJKSA-N 401.474 1.811 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1359033027 MSXWSSGBZPJIGS-QFIPXVFZSA-N 403.490 1.050 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NCC)CC1 1359104852 GNGVGEYIIXOZCZ-KURKYZTESA-N 418.542 1.962 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(C)n1 1359261351 FXKWGFOIBDOKPW-UHFFFAOYSA-N 412.523 1.945 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1359300932 NDVMSYHSOFLXIS-RTBURBONSA-N 411.506 1.532 30 10 HDEE C=CCCOCC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1439825673 QCHOGGBGYOMABA-OAHLLOKOSA-N 414.243 1.883 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(=O)nc1O 1440328364 AFDXPTKYOZTRNJ-UHFFFAOYSA-N 405.418 1.444 30 10 HDEE CCC(=O)N1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1446068995 HYYDVSFSWOQDCM-OAHLLOKOSA-N 405.296 1.884 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(-n4ccnc4O)c3)C2=O)cc1 1448844307 LBBPZPHCQLCCPB-LJQANCHMSA-N 401.426 1.980 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c1 1457166451 ABQYEBRBKDDPGJ-YVEFUNNKSA-N 407.442 1.917 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)CC1 1458031450 ZXHOMPLYQPMDCW-UHFFFAOYSA-N 402.476 1.611 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1459313827 OKWKFDIXLCMMRJ-UHFFFAOYSA-N 410.518 1.432 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2noc(-c3ccccc3F)c2C)CC1 1466360962 REDZVIHCZBCLQN-UHFFFAOYSA-N 421.454 1.406 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1cccc(Br)c1C#N 1469341797 HNZADHWCCYNVBS-GFCCVEGCSA-N 409.284 1.278 30 10 HDEE C=CC1(CC(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)CN(C(=O)OC(C)(C)C)C1 1471262109 ZFJUQURRXOQLGH-FQEVSTJZSA-N 407.467 1.720 30 10 HDEE C#CC[C@]1(C(=O)N2CC3(CC(=O)Nc4nccn43)C2)CCCN1C(=O)OC(C)(C)C 1472238679 MQSWSGGYEJPXPI-OAQYLSRUSA-N 413.478 1.556 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1 1474853548 BEPPNQPCLVAKGR-UHFFFAOYSA-N 423.494 1.762 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nn1 1478855485 OTQCTZQUPGOLEH-SMDDNHRTSA-N 407.418 1.115 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC1 1505325137 RDAZGKIIGYFHKR-CQSZACIVSA-N 417.482 1.940 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1507533557 LLZCMMXYNRYUGS-YTQUADARSA-N 416.570 1.824 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](CC)NC(=O)OC(C)(C)C 1507621083 OZKNDNSPMOYBJS-HNNXBMFYSA-N 404.515 1.773 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507628842 ILPRKJMLQHSVQW-IRXDYDNUSA-N 415.519 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)COC2 1507703787 ZCZVTHHTGLFNQP-UHFFFAOYSA-N 409.490 1.679 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCC(=O)NC 1507791668 PLBKDJRIIJNZDN-WBVHZDCISA-N 406.531 1.360 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507820728 LEBOPGINPRCVAX-OAHLLOKOSA-N 421.571 1.977 30 10 HDEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1507961785 GGDAMLJLSCPQKU-LJQANCHMSA-N 424.505 1.970 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@](C)(CC)C1 1508137755 QWAFYCFYEKTJJV-LJQANCHMSA-N 407.540 1.890 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(N)=O)c1 1508425812 CJUMLMFOHMCTIA-HNNXBMFYSA-N 409.494 1.338 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccn(CC)c1=O 1513870597 KSNMODONHHHRDJ-UHFFFAOYSA-N 405.462 1.605 30 10 HDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCO1 1514385150 MLMREIBFNMOJQY-GOSISDBHSA-N 407.482 1.899 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1518638627 GBJRGJGOXHMNRG-ZWKOTPCHSA-N 410.478 1.195 30 10 HDEE C#CCC1(C(=O)N(C)C[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1530170605 AKQCPIKBTUQJNB-NADOGSGZSA-N 400.519 1.537 30 10 HDEE Cc1c(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cnn1CCC#N 1537716220 WYJVMJKSEBCVQZ-IBGZPJMESA-N 408.506 1.733 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1538995305 LYNIGOYAVQNSOP-OAHLLOKOSA-N 422.580 1.120 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539012922 KUMPKWXIHDIZDR-WBVHZDCISA-N 402.520 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1539014573 RNCILZZXACUTKY-INIZCTEOSA-N 410.526 1.388 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1539219013 BAWLXVPHNGYBAZ-JKSUJKDBSA-N 412.581 1.900 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSCC(C)C)CC1 1539459538 JACQXAUKYJHBPU-UHFFFAOYSA-N 404.584 1.545 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)CC1 1539590032 BVBUBBLUDYXGQL-NWDGAFQWSA-N 411.384 1.387 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1539714688 SYGNIDWEFJLZHL-KRWDZBQOSA-N 410.526 1.872 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539855326 SSJIWXJPSKVECP-SFHVURJKSA-N 410.522 1.915 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1540915010 GTDWTUIDLUPGRX-HNNXBMFYSA-N 407.540 1.534 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 1542768465 DRVANUMABAQDIB-IBGZPJMESA-N 406.490 1.520 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)n1 1543045690 UKKOKNLVFRZVPO-FCEWJHQRSA-N 403.462 1.122 30 10 HDEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1544520210 AMPOCHMMJWADKI-APWZRJJASA-N 424.546 1.354 30 10 HDEE CCN1CCC(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CC1 1547654662 CRHAQAUFZHYXLS-IEBWSBKVSA-N 420.558 1.853 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1547691360 NPQCTJAAQLCEFV-QFIPXVFZSA-N 421.505 1.354 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1547862034 WNCPNZOGHVWQLA-GQWLDOHISA-N 416.526 1.537 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccn(C)n1 1554128033 BLPXYNWZHMFRHD-UHFFFAOYSA-N 406.494 1.949 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1555270048 NRHXBAXZAOGBGH-MRXNPFEDSA-N 416.457 1.272 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC1([S@](C)=O)CCC1 1555556661 GIPCXTPITNVJPG-NDEPHWFRSA-N 403.512 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)NCCn3cnc(C#N)n3)CCC2)C1 1556515429 XHSUWXAXMUDJHJ-HXUWFJFHSA-N 418.498 1.198 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3c[nH]nc3I)C2)nc1 1556824443 HBJORYQFUVXQLV-JTQLQIEISA-N 409.187 1.574 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC(O)(COCCO)CC2)ccc1Cl 1560155448 LFEXQLZWUCXRSM-UHFFFAOYSA-N 409.914 1.731 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OC 1561829487 QFDGLOUCJRUHEE-CQSZACIVSA-N 418.537 1.769 30 10 HDEE C#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1563826419 ZFLGEARVEKPPNA-UHFFFAOYSA-N 402.432 1.354 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cn1 1565640900 ZRZAWRDGVLRAAF-KRWDZBQOSA-N 402.451 1.604 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1568808989 BFVKBHXTRPKICH-SUMWQHHRSA-N 410.517 1.657 30 10 HDEE C[C@@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H](C#N)CO)C[C@@H](C)O1 1569055237 NWZGFFQAEYQIIZ-MCIONIFRSA-N 401.492 1.336 30 10 HDEE CCC[C@@H](C)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1583571559 JQMFUMZEHIHDNY-DNVCBOLYSA-N 407.536 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1585297299 RUSMSBARVAWSHX-VHEBQXMUSA-N 416.478 1.280 30 10 HDEE CCc1c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cnc2c1c(=O)n(C)c(=O)n2C 1586102949 NLBVIJXSGXNVJU-UHFFFAOYSA-N 417.469 1.875 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1587793043 FNICATBPWSRAHF-SPEDKVCISA-N 415.538 1.837 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1587910403 MJGYSIYICWYFTL-UHFFFAOYSA-N 416.283 1.534 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](OCC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035521 USHKDUPBWLKHSA-RBUKOAKNSA-N 402.520 1.991 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045866 RWMPEEYKNBEKNK-GOSISDBHSA-N 414.531 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1589151021 PTOXNGAELZDXRB-MEDUHNTESA-N 409.541 1.089 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595405113 CRXQTGRVOLYMCC-GJZGRUSLSA-N 406.512 1.517 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(F)cc(I)c2N)CC1 1596610267 OHLCXQSJUXKETP-UHFFFAOYSA-N 401.223 1.840 30 10 HDEE COc1ncc(NC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 1598433279 FAMZYKBPYUPVRT-LJQANCHMSA-N 416.459 1.355 30 10 HDEE C#CCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1598458200 YYHUNAROWAUKOT-UHFFFAOYSA-N 401.308 1.924 30 10 HDEE O=C1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCCN1 1607414250 ACZYTBOKDRCBRV-UHFFFAOYSA-N 406.508 1.024 30 10 HDEE CON(C)C(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1611535020 DVIHYHOHTQJTFN-UHFFFAOYSA-N 402.432 1.109 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1611660437 PMYFCUAFQJWKNY-INIZCTEOSA-N 418.372 1.389 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)no1 1611956042 HWUQOUVSOPMZDX-LPHOPBHVSA-N 402.455 1.392 30 10 HDEE CCOCc1nnc(N2CCC(COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1616796551 DJOICTBTRLOVDS-VHEBQXMUSA-N 418.498 1.204 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)COCCO1 1619987907 CQEIGMWVLCVWSY-UZLBHIALSA-N 407.515 1.938 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 1620024135 DODYDXGAOLVOGE-DLBZAZTESA-N 407.515 1.816 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCOCCCO)c1 1620348812 HYRXGLQVYJGZEL-NRFANRHFSA-N 410.478 1.075 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)CNC1(c2cccc(C#N)c2)CCOCC1 1620429847 GATFVPACIWTPTD-UHFFFAOYSA-N 411.462 1.702 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2)C(=O)OCC 1622450555 UKMZUKIDHXUNDD-INIZCTEOSA-N 400.884 1.901 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(C)cc(CNC(=O)C(F)(F)F)c1 1624821640 NNGDLLDHUUTDPX-UHFFFAOYSA-N 407.414 1.896 30 10 HDEE CCOCCOC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1624871897 PFUSZZMVJLYLPO-OAHLLOKOSA-N 409.508 1.269 30 10 HDEE COCCN(CC#N)C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1625827683 XFWYSVVLCCMVDF-UHFFFAOYSA-N 401.467 1.889 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCc3cc(Br)ccc32)CC1 1628146771 PQPODIVTVMMDFD-GOSISDBHSA-N 418.335 1.763 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634362118 KBVIOZBWUSVEEM-ZWKOTPCHSA-N 410.511 1.574 30 10 HDEE N#Cc1cn(CCC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2)c(=O)nc1O 1635240296 GPLAQQAIKBXTSF-HXUWFJFHSA-N 418.453 1.973 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C2(O)CCCCC2)cc1 1637250763 XZXXSQOEEZZZEC-UHFFFAOYSA-N 415.462 1.939 30 10 HDEE C[C@@]1(C(=O)NCC2(C#N)CCOCC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1637331762 DMFGTFJCJITLDC-PXNSSMCTSA-N 401.463 1.585 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 1637685694 SZKUKZZEJGQRFJ-FZMZJTMJSA-N 419.425 1.731 30 10 HDEE C#CC[C@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1637697422 ROAKGPBOPWPYCY-AWEZNQCLSA-N 416.293 1.684 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)c1 1638481908 YQTQIUGJNDLLIF-IBGZPJMESA-N 407.492 1.502 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1639839924 GSMZXLAJFJOAEJ-HXUWFJFHSA-N 412.511 1.938 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C)(C)S(=O)(=O)CC2)s1 1639985799 BQZKOKUMERGSPM-UHFFFAOYSA-N 420.578 1.181 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CCOC1 1641763902 OGNIXFGNTWTONJ-OAQYLSRUSA-N 401.438 1.205 30 10 HDEE C#Cc1ccc(C(=O)N2CCC[C@H](n3nncc3I)C2)cn1 1643458818 NYXOIRQLEQNFCF-ZDUSSCGKSA-N 407.215 1.736 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1644146264 PMYMZVNAQVJBST-MRXNPFEDSA-N 419.283 1.329 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC[C@H]3C=NNC3=O)C2)C1 1647860127 VPODZJWOSQJBME-UTFQJDELSA-N 403.483 1.401 30 10 HDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NCc3cc(C#N)ccc3F)ccc21 1648597212 DVYMJVPPUCCGDM-UHFFFAOYSA-N 410.409 1.318 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)NCCCOC)CC2)c1 1652330000 VTUCHGGEKHRDEE-UHFFFAOYSA-N 400.479 1.181 30 10 HDEE CCCCNC(=O)NC(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1652969965 FAWPSVGGEBYWIO-UHFFFAOYSA-N 421.501 1.904 30 10 HDEE Cc1ccccc1-n1c(C)cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c1C 1653036599 ATXYCUGDKPHLBP-UHFFFAOYSA-N 420.469 1.781 30 10 HDEE N#CCOc1cccc(CC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)c1 1653357172 GHPSWKIHZOMRFK-OAHLLOKOSA-N 415.247 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CN1CCN(C(=O)CC#N)CC1)C2 1653645645 IWEQNXCWYIAZLF-KRWDZBQOSA-N 406.527 1.850 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1655318459 DFDYVHHGQCCIGI-AWEZNQCLSA-N 405.476 1.948 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1Cl 1665174511 FCOHKLAEPLLLBP-INIZCTEOSA-N 412.943 1.287 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cccc(S(=O)(=O)NCC)c2)cc1 1681331195 KYFQFXFYQGUVDA-UHFFFAOYSA-N 401.488 1.996 30 10 HDEE COC[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1682638688 UPBZYTAXFYAJFP-AWEZNQCLSA-N 417.853 1.470 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ncnn21 1683827090 BRAXNVKHFIYTJZ-CXAGYDPISA-N 405.466 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1689835161 HHQCZFXHWJGCEF-FOIQADDNSA-N 420.535 1.594 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1689966517 UFDHQPLQCFLTNY-OAHLLOKOSA-N 401.492 1.278 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCO[C@@H]1C 1690097056 AJXDHCHJUYRVQC-AUUYWEPGSA-N 405.886 1.619 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)=O)CC1 1690161389 DCCLUWYHMSHWFS-UHFFFAOYSA-N 414.491 1.888 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690671599 ZRRFEYJFQDDDOC-AWEZNQCLSA-N 423.477 1.009 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1690671607 ZWSFDRRKNHWEFO-INIZCTEOSA-N 413.478 1.839 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1690742169 IQVKGTJDWNGXQP-QGZVFWFLSA-N 420.583 1.449 30 10 HDEE CC(=O)N1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1690869434 HDHRHYZJNYJDFV-LJQANCHMSA-N 415.542 1.076 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1692938357 BPQGZOIDQZQNHP-LJQANCHMSA-N 408.491 1.727 30 10 HDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)c1=O 1695790008 BOMQRWPUDQQJSH-LJQANCHMSA-N 415.457 1.775 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1695919043 GYOBZEVSWPZPSJ-JKSUJKDBSA-N 402.499 1.555 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C#N 1696498760 VDPDDAKKDFOEPV-HNNXBMFYSA-N 415.523 1.742 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCCn2cc(CO)nn2)CC1 1698490770 HEKRJRFBBNIHCK-UHFFFAOYSA-N 412.523 1.844 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1705534691 ONPSGWYROOLTOS-ROUUACIJSA-N 411.462 1.155 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1705578534 WMURKDUMLAYZKB-UHFFFAOYSA-N 424.530 1.561 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1705636066 WSVUVALKLGJQHZ-UHFFFAOYSA-N 404.503 1.780 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1705641138 SVXABTUTDFWTIM-KRWDZBQOSA-N 402.449 1.443 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCN(C)C1 1705670143 JXSVKIZRDAEEOR-RTWAWAEBSA-N 410.478 1.912 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705817189 DURMEQFPMDLMDU-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705832197 QEKBFTXCSUGAER-QZTJIDSGSA-N 403.527 1.856 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2COCCO2)C1 1705916176 ZTNGCIBKGOCSPA-DLBZAZTESA-N 407.515 1.393 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1711239258 VIVOUJBSSTYIDJ-SJORKVTESA-N 423.477 1.420 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1711332138 BAWRVBURVIFTLJ-MSOLQXFVSA-N 410.478 1.656 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1711338267 AXIYOLDRIFNDEG-SFHVURJKSA-N 412.494 1.442 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1722294524 HFXSSFRDEBRMFX-OLZOCXBDSA-N 404.521 1.396 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1722295173 JLOLMQBCQYHFJW-HOCLYGCPSA-N 423.564 1.373 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1722422314 QKMKQIHEUWBHBU-NRFANRHFSA-N 413.478 1.918 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC=CCO2)CC1 1722448502 CXYNDVORPFRLFR-FQEVSTJZSA-N 420.517 1.575 30 10 HDEE C=C(Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1722539069 FQBCYUXOHZZLIW-CRAIPNDOSA-N 408.506 1.652 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1722630314 YEVZYRIZPYJRIV-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722728588 RURZKFKHUKAZBR-MRXNPFEDSA-N 411.572 1.430 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC[C@H]1CCOC1 1723581996 APSVFOLYXCYVHF-GOSISDBHSA-N 418.542 1.990 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728635688 ZYKWSDRTNJZTBI-GBESFXJTSA-N 417.558 1.132 30 10 HDEE COc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1730129819 BCCAMTBXWSWSIX-SFHVURJKSA-N 423.477 1.667 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1731013444 GKOWESFWMKYHBU-UHFFFAOYSA-N 404.496 1.577 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCOCCCO)c1 1731179079 MDGDNJSIJLVGND-KRWDZBQOSA-N 412.494 1.308 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(F)cn2)cc1 1731184415 AHYXFMKIFJRKSE-UHFFFAOYSA-N 407.409 1.247 30 10 HDEE C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1736467010 XGXVPVCLEBKOOA-GFEQUFNTSA-N 403.523 1.618 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1740615344 BKBGWXPRTWMSLE-QGZVFWFLSA-N 409.600 1.934 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1740730521 AXQXZWSZJZJZAI-FUHIMQAGSA-N 405.568 1.514 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740874721 GWAGMAPZAWWWHM-UHFFFAOYSA-N 412.542 1.692 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1741103687 DHFAINIDUIOJNG-DENIHFKCSA-N 424.505 1.319 30 10 HDEE CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1741737079 AKUSBUPYHAWGNK-IBGZPJMESA-N 424.505 1.965 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1746465554 YDVABROYRMTPGL-RXVVDRJESA-N 419.549 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748662126 QGKZBSFIQZDGQZ-ZFWWWQNUSA-N 409.416 1.456 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1748688137 YPLJOLXDFJSIPN-OAHLLOKOSA-N 418.519 1.901 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1F)[C@@H]1CCS(=O)(=O)C1 1748815481 QNZRIXGDUFYBLJ-MRXNPFEDSA-N 418.494 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1748858993 OPMHLKDNXZODMY-INIZCTEOSA-N 424.509 1.600 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C 1748955924 BQESRFLNZGZRIY-GOSISDBHSA-N 411.506 1.954 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1749044153 OGTYUNYKPGRNBB-UHFFFAOYSA-N 418.567 1.119 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1749506625 QRMZVMKLCJRNFX-SFHVURJKSA-N 404.559 1.928 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1749676251 JVNIYXYFFKTDOM-INIZCTEOSA-N 400.502 1.841 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)C1 1750378327 HMQJJUJQGNQCRQ-APWZRJJASA-N 418.498 1.673 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCCO2)nnc1N1CCSCC1 1750419519 POKBMXKRLCZNFX-FWWJWKNHSA-N 418.523 1.599 30 10 HDEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)s1 1751864429 RKPDKWDNCFEAEV-UHFFFAOYSA-N 422.518 1.936 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@](C)(O)c1ccccc1 1751930112 GIIMVLKUWZILHG-AOMKIAJQSA-N 418.505 1.871 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760186610 PEHSLWGMHBXBGG-MRXNPFEDSA-N 404.540 1.275 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1760189914 RNKVXKKCPQIFPS-IBGZPJMESA-N 414.531 1.977 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760210604 UKZWUOHNYREXHU-XLAORIBOSA-N 403.552 1.787 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCN(C)C1 1760213202 UAWXCZHXIYTKPX-NRFANRHFSA-N 408.462 1.383 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCc3ccccc32)CC1 1760251422 AEPKISBNJQWZDH-HSZRJFAPSA-N 422.533 1.006 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 1760252044 LLHOKMVPGRHTQW-HXUWFJFHSA-N 423.565 1.474 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1C 1760294825 HGKAAODSQLUXCS-TVKQPGBESA-N 406.552 1.845 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1760512242 QTQZUHCKYLNVAL-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(S(C)(=O)=O)CC1 1760520801 ZYHLNZKICAGBPE-UHFFFAOYSA-N 421.498 1.400 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1760523745 GZHCAGIWPUJMNP-UHFFFAOYSA-N 423.521 1.595 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760525882 VIUSQJQMBXOMQH-UHFFFAOYSA-N 423.521 1.015 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760552503 QFYHTSHZPVCCIT-AEFFLSMTSA-N 419.551 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1760556614 KDTVXBHTZWICLO-FUHWJXTLSA-N 419.551 1.726 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1760697691 VCSITKAIRGLHTL-INIZCTEOSA-N 422.493 1.707 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 1764127527 OYPWXPYJZMJHDW-JXFKEZNVSA-N 422.505 1.834 30 10 HDEE CCc1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764845029 ZKRJFNGYSUNRMR-CECJQHFESA-N 400.483 1.374 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CC1 1767104134 NBAWJIQJUICFDG-OTWHNJEPSA-N 403.575 1.794 30 10 HDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1769202669 AJOLWSGAGZZJES-BEFAXECRSA-N 412.494 1.441 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CC(=O)N(c3cccc(Br)c3)C1)CC2 1849034947 VLMFELHKIGNFFI-LLVKDONJSA-N 414.263 1.982 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)CC1=O 1852047740 NXTSDTQTQHWXEA-INIZCTEOSA-N 405.458 1.648 30 10 HDEE CN(C)C(=O)[C@H]1C[C@@H](OC(=O)c2ccc(CC#N)cn2)CN1C(=O)OC(C)(C)C 1852157722 SUKUXNYLSKBEQL-GDBMZVCRSA-N 402.451 1.771 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1ccc(C#N)cc1 1852454403 SFPSKAWIKSUYNT-UHFFFAOYSA-N 404.414 1.630 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCC#N)CC1 1852649802 NXOGGYNFTDGMKR-QGZVFWFLSA-N 412.943 1.701 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1852834540 HPHNIXKHPPBZKP-HNNXBMFYSA-N 416.478 1.506 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(Cn4ccnc4)CC3)C2=O)CC1=O 1854057651 VBRDNZLZIYXTDA-RTBURBONSA-N 413.522 1.147 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(N(C)C)nc2)C1=O 1854082467 QSGKSWPNOZYWSE-QZTJIDSGSA-N 413.522 1.388 30 10 HDEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1 1854120955 OXSJWZGJEDOCSA-GXSJLCMTSA-N 409.247 1.773 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2)C(=O)C1 1854485372 MKWUDOPFVGQFQE-UHFFFAOYSA-N 401.419 1.630 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855204567 HHRNHSCLWJMNTA-RBUKOAKNSA-N 417.550 1.821 30 10 HDEE CCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1855298350 YUBAWVCBIWTXLM-PMACEKPBSA-N 414.531 1.642 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(c4ncncc4C)CC3)C2=O)cc1C#N 1855437491 SYOZGUSVAWMEFV-IBGZPJMESA-N 404.474 1.528 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)Cc3nc(C(C)C)no3)CCC2=O)CC1=O 1856652590 AODXGCWXNSCKMZ-CVEARBPZSA-N 417.510 1.425 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C1=O 1857151603 WLTDDLRVIVPJPG-CJNGLKHVSA-N 418.448 1.422 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563963 PFICOINUJCCVJG-QGHHPUGFSA-N 413.386 1.842 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862626867 HJXKZGGFCLQRCD-SFHVURJKSA-N 413.382 1.787 30 10 HDEE COc1cccc(Cn2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1870097337 ITVYNJBMJJZPSY-UHFFFAOYSA-N 414.403 1.916 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CSc1nccn1C 1870301821 XGTCDWCGHDJXKN-MRXNPFEDSA-N 418.519 1.734 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1C[C@@H]1CCCO1 1870476303 LIBMICIFHKPABL-IBGZPJMESA-N 420.506 1.770 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc3c[nH]nc3c2)cc1=O 1871004354 AXIYVQCWMXOOIA-UHFFFAOYSA-N 407.474 1.681 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1 1889407260 VVXWZNWQHRQMBV-UHFFFAOYSA-N 419.953 1.977 30 10 HDEE N#Cc1cncc(C2=CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)c1 1891793281 UMOPSNBXVJLHTD-UHFFFAOYSA-N 417.381 1.773 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1 1982282713 ZHMUQXVUSCFRHU-CQSZACIVSA-N 413.334 1.840 30 10 HDEE NCC#Cc1ccnc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)c1 2089787998 DZFDVUADYWXOMU-UHFFFAOYSA-N 412.471 1.210 30 10 HDEE Cc1csc(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)c1C#CCO 2161939012 NVEXTXASQXJGOC-UHFFFAOYSA-N 406.529 1.636 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)CO1 2174779001 DPSVWWIUKXJWBF-LSDHHAIUSA-N 401.529 1.920 30 10 HDEE COCCNS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1C 2202850143 SKOCENUBDAOLIU-UHFFFAOYSA-N 404.725 1.840 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nn(C)nc1Br 2219813514 PBWWHIPXVVFMQJ-NSHDSACASA-N 414.304 1.843 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)C[C@@H]2CCCO2)s1 2237723618 BHCPXUQKZGJLIS-ZDUSSCGKSA-N 401.359 1.954 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244546727 POJNUAIMXOMZMV-UHFFFAOYSA-N 407.320 1.336 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCB2OC(C)(C)C(C)(C)O2)C1 2244641558 NULPXIDTASQJIH-OAHLLOKOSA-N 409.336 1.818 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003079 SKRVGMHQMVGRBY-NRFANRHFSA-N 422.331 1.890 30 10 HDEE Cn1ncc(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2255829470 PMUGIEVMWROWNU-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258132342 GYZMNDHKBATFMZ-WBVHZDCISA-N 408.476 1.129 30 10 HDEE C#CC[C@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258955473 RPWFOUKNZYHMAR-IRXDYDNUSA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(S(C)(=O)=O)C3)sc2Cl)OC1(C)C 2267548760 IEXFOMBKKNWZLI-UHFFFAOYSA-N 405.734 1.570 30 10 HDEE CN1CC[C@](O)(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281945974 UKVWMLWNRWKBTF-KRWDZBQOSA-N 400.737 1.497 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C3(C)OCCO3)CC2)n1 2282044738 RIHLZFJGRMYABB-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE CCC(=O)NCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282313982 SLTACMJDEZWYDY-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCOC[C@@H]1F 2282325435 FDPPORUMRCIYCK-RYUDHWBXSA-N 405.322 1.761 30 10 HDEE CN([C@H]1CCOC[C@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282330276 XLDKVOAQHNAUCL-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE CC(C)NC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340642 IJXKCZFWYAMSOL-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CCC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)COC1 2282489664 FLACZUXTGSETMM-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE Cc1csc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282563436 FODCELQDYNDJHX-LBPRGKRZSA-N 401.359 1.861 30 10 HDEE CN(C)[C@@H]1COC[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282638831 SBYJYCCENPEXGU-VXGBXAGGSA-N 400.737 1.760 30 10 HDEE Cc1cnc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282648823 SNTVSMBIQRDUCK-OAHLLOKOSA-N 402.300 1.914 30 10 HDEE CO[C@@]1(C)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282844972 LGBPZTUTUQVGKH-INIZCTEOSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@@H](N)CC2)OC1(C)C 2282847442 ZAUNIHLGQXCOEV-TXEJJXNPSA-N 401.363 1.132 30 10 HDEE CN1CCCC[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877471 RXUQESTYPGYKGJ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE Cc1nc(O)sc1S(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284061653 GFSSWWWKQQBBPI-UHFFFAOYSA-N 416.355 1.996 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C)(C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284411049 YSRLIUFYAVWJHH-UHFFFAOYSA-N 401.315 1.451 30 10 HDEE CN([C@@H]1CNCC1(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2289916335 XQBKPRLIEJUBKC-CQSZACIVSA-N 400.375 1.666 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccccc2)C1 2328071938 XIAMBCNGGIYGGC-YLJYHZDGSA-N 417.465 1.802 30 10 HDEE CCCOc1cccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)c1 2330770458 PEDNZQKCSJXIJF-UHFFFAOYSA-N 405.480 1.850 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1 2342050907 IECUDOGDUPNCDS-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2365200856 BYYGVVRKQAEPPB-BEFAXECRSA-N 402.557 1.553 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CN(C)C(=O)OC(C)(C)C 2365201444 ISSZKLWGVSUOLS-DNVCBOLYSA-N 404.573 1.799 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1 2367799680 CFIDWOVDQLIOFK-KXBFYZLASA-N 400.541 1.619 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)Sc1ccc(S(=O)(=O)N(CC)CC)cn1 26558600 YUFJJFJDFYAJKH-LBPRGKRZSA-N 400.526 1.605 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)NC(C)=O)cc1 30939157 LLDVLPDHRAJTLB-HXUWFJFHSA-N 407.474 1.878 30 10 HDEE CCC(=O)N[C@@H](CCSC)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 54774470 GXPOEUZXAZNIIT-AWEZNQCLSA-N 405.524 1.720 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 65930593 LPIJFZHNVXJVIH-UHFFFAOYSA-N 405.458 1.152 30 10 HDEE CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=NNc1ccc(S(N)(=O)=O)cc1 252589183 AICFASHDVRGEEW-UHFFFAOYSA-N 402.392 1.433 30 10 HDEE CC(=O)C(=NNc1cc([N+](=O)[O-])cc(S(=O)(=O)O)c1O)C(=O)Nc1ccccc1 306147380 YFJJHUIOWQORSS-UHFFFAOYSA-N 422.375 1.543 30 10 HDEE C[C@@](N)(C#N)Cn1cnc(I)c1I 306446425 UZAZNENLLVECPZ-SSDOTTSWSA-N 401.977 1.333 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 460385577 GHBNZOGGTNIQPA-GJZGRUSLSA-N 413.544 1.191 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461301534 LVGBDZDZNZABOS-INIZCTEOSA-N 402.480 1.672 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)Cc2ccc(O)cc2)cc1 462930529 CKLXXHRGPYXSGJ-SFHVURJKSA-N 424.482 1.463 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOC[C@H]1C#N 464790011 ADLBICXZSOVFJM-WCQYABFASA-N 401.282 1.610 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 472087851 JYMNVYWGRITAAX-NRFANRHFSA-N 407.518 1.643 30 10 HDEE CN(CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)c1ncnc2[nH]cnc12 479282124 PYEYWIPZFWUZLE-UHFFFAOYSA-N 404.478 1.464 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(F)c1 480710476 DGJUALCDJGDEJI-SFHVURJKSA-N 402.451 1.703 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N(CC)CC)cc2C1=O 484248051 AINRTLOLZUJIBM-INIZCTEOSA-N 401.488 1.852 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)cc1 485938422 GBESLXBCEWOMLR-QGZVFWFLSA-N 402.472 1.824 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3scnc3C3CC3)C2=O)cc1 488635034 DMIPAFZYUQIYFA-OAHLLOKOSA-N 409.471 1.748 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)CC(=O)Nc1ccccc1OC 506898451 VNJMEZWFGILEAU-UHFFFAOYSA-N 414.447 1.342 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 508824837 IQMMUPBUVRTAGF-WMZOPIPTSA-N 404.559 1.930 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CC(N)=O 526081984 HBXOYLZZRUFDHT-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NC2CCCC2)nc1C 526847516 YUWCSCCGGODROQ-HHHXNRCGSA-N 413.521 1.540 30 10 HDEE N#Cc1cccc(CC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 530908382 MVJZISQLYFJHJK-UHFFFAOYSA-N 405.414 1.620 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 542120416 SUBRCHBPVNKJHH-OAHLLOKOSA-N 407.883 1.415 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCCC1 546069411 MRKRZBWLYLCKEA-UHFFFAOYSA-N 422.526 1.587 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCNC(=O)c3ccccc3Cl)CC2)n1 546218100 JPVOCHHSWOMPRY-UHFFFAOYSA-N 412.881 1.868 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)c1ccc(C#N)c(Br)c1 551220529 OWWBUHJFDZWIIB-BXUZGUMPSA-N 405.314 1.757 30 10 HDEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 552802556 AAAHXCYZAYVXGJ-FQEVSTJZSA-N 414.550 1.650 30 10 HDEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 566022716 TXLHXPNGUAYIEP-KRWDZBQOSA-N 400.527 1.514 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(S(=O)(=O)CCO)cc2)ccc1C#N 576274539 LLSOMMVBPOHKQZ-UHFFFAOYSA-N 403.460 1.332 30 10 HDEE C[C@@H](C(=O)O)[C@H](NS(=O)(=O)N(C)CCC#N)c1ccc(Br)cc1 576458653 ACYQLWZVWMPKNN-MFKMUULPSA-N 404.286 1.891 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 583766196 XWECYDNMWWSFPS-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(C1)Oc1ccccc1O2 589061628 DEKWSBGLJZUILQ-CQSZACIVSA-N 413.455 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(OCC(F)(F)F)c2)CC1 604168107 QTFHTMSIFHKBAV-UHFFFAOYSA-N 415.416 1.152 30 10 HDEE C#CCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 729331282 LHVOFZPTAHOVLS-QQABJKMWSA-N 421.563 1.293 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 733201970 ZNGAFAGLUUASED-KRWDZBQOSA-N 420.510 1.857 30 10 HDEE C#CCCNC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 733287787 QNTGHXZBYGQKGK-GFCCVEGCSA-N 415.309 1.660 30 10 HDEE C=C(COC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OCC 734028088 FBGRQMZFNDEDBQ-UHFFFAOYSA-N 410.492 1.109 30 10 HDEE CCN(CC)C(=O)N1CCC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1 734294116 CUPFBJHEXQSGLR-UHFFFAOYSA-N 406.508 1.845 30 10 HDEE C#CCN(C(=O)CCOc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 735039874 GIOOIRBRQGYCOI-ZDUSSCGKSA-N 400.840 1.666 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)cc1 742871305 LTIRPTZCMOGIDV-MRXNPFEDSA-N 421.519 1.727 30 10 HDEE C=CCN(C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1nc(C(=O)OCC)cs1 749129551 YUYPRLDGNPIWAF-UHFFFAOYSA-N 422.488 1.336 30 10 HDEE CCC(CC)C(=O)N1CCC(=NOCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 749788579 DBTWFYLAWIXAMI-HXUWFJFHSA-N 424.586 1.891 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(Br)o2)C1 749791114 NEXBEQDGMRNNGA-GFCCVEGCSA-N 417.304 1.152 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)[nH]n1)[C@@H]1CCS(=O)(=O)C1 751362759 GBXZFNWABISSRN-CQSZACIVSA-N 403.460 1.356 30 10 HDEE C=C(C)CN1CCC(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 755260797 FQVMCNSDBDQDAV-KRWDZBQOSA-N 408.543 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 760814645 VFTGPWTWWDYGNE-DLBZAZTESA-N 419.526 1.091 30 10 HDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)CC(C)(C)C#N)CC1 776138063 WSKDKHDJXNLLRE-UHFFFAOYSA-N 420.535 1.946 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCn2ccnn2)C1=O 784126778 ZSBQKHYTNKFEFR-QGZVFWFLSA-N 412.519 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccnc2-n2ccnc2C)n1 788897345 YBSYUGOJXVLPHQ-UHFFFAOYSA-N 407.478 1.764 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 788945684 OEBMFCVOGKWDOL-IBGZPJMESA-N 410.518 1.888 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)OCCO2 789966690 JYQATTOBYANCRH-ZDUSSCGKSA-N 414.491 1.934 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790236830 YRZNTMWNGZYKHJ-WOJBJXKFSA-N 406.483 1.533 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN(CC(F)F)C2)cc1 791324552 AEURUZOCCWFAHI-PGMHBOJBSA-N 400.451 1.635 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)C(=O)N(C)CCC#N)[C@@H]1c1cncn1C 796088247 RNEAFHONEIBWOO-HDMKZQKVSA-N 403.483 1.414 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2OC)C1=O 799268117 GXPLGRBCPSOHIL-NSHDSACASA-N 411.256 1.037 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(=NNC(=S)NCCN2CCOCC2)CCC1 800805741 ARLXPWHYJFFYSH-UHFFFAOYSA-N 413.588 1.950 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)C1 800958220 KODZBNIQOIAMMT-GJZGRUSLSA-N 401.529 1.608 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 802476518 CZVQBJBCAAPIHN-MOPGFXCFSA-N 417.531 1.052 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@H](c4ccccn4)C3)CC2)nc1 804401441 LZJQNIPDEIRKHU-KRWDZBQOSA-N 404.474 1.449 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2Cl)N(Cc2cnn(C)n2)C1=O 807939330 NTDDRWBCGBEBKA-CQSZACIVSA-N 422.898 1.745 30 10 HDEE CC(=O)Nc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(F)cc1F 921168681 HBWHBQVDAMVUFR-UHFFFAOYSA-N 422.413 1.991 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(C)(C)C 1133977172 OPQNSCFYBARXIJ-HNNXBMFYSA-N 404.488 1.884 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1142444206 OEPBXGXVEONZFQ-ZIAGYGMSSA-N 422.482 1.520 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](c4ncccn4)C3)C2=O)cc1 1155617967 HOSPDOZSYQGKSP-FUHWJXTLSA-N 418.457 1.959 30 10 HDEE C#CCN1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1155874143 WNEOLCPJOPXVLA-UHFFFAOYSA-N 403.548 1.618 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)c1 1159688738 LLYXEFWJZVMPNQ-UHFFFAOYSA-N 411.480 1.126 30 10 HDEE Cn1c(N2CCc3c(cccc3NC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1164288936 WRHUHJNSGGSHLZ-UHFFFAOYSA-N 411.462 1.865 30 10 HDEE N#Cc1c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)sc2c1CCCCC2 1175609623 AZBAAXJMRAEOGR-YJBOKZPZSA-N 402.520 1.807 30 10 HDEE Nc1nc(N)c2ncn(C3CN(C(=O)C#Cc4ccc(C(F)(F)F)cc4)C3)c2n1 1178321132 WEDCECJRTYVCPU-UHFFFAOYSA-N 401.352 1.445 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)c1 1194913825 GKPFBPQQGMYSHQ-AWEZNQCLSA-N 411.487 1.619 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)CC1 1201329016 KPOBTJZOUFJDIV-CQSZACIVSA-N 418.469 1.726 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1224761002 CBWFSUHGVWAFRZ-UHFFFAOYSA-N 401.529 1.630 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(C)cc3C)CC2)CC1 1251475550 UTEODKFWLOPDNY-UHFFFAOYSA-N 404.536 1.130 30 10 HDEE C#C[C@H](NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)C1CCOCC1 1253340078 LEWOMXVSZGIUNE-HNNXBMFYSA-N 419.482 1.435 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1 1286306390 SZQZJFACMKGBGM-BZSNNMDCSA-N 406.527 1.903 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1286348932 BKRLTKNLDZLUKA-HUUCEWRRSA-N 403.512 1.064 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286392031 HMFCCDXUTQYJQI-BPQIPLTHSA-N 406.552 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCOCCS(C)(=O)=O 1286526543 UUOQADDWVDNZCV-VQIMIIECSA-N 410.540 1.225 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCN(C)C1 1286724840 MRIYHYJBULEVII-NRFANRHFSA-N 412.542 1.141 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1)C(C)C 1286750841 HZOJEZPAAHVVQF-LJQANCHMSA-N 424.553 1.712 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc(C)no2)C1 1286797991 FRAGBILIAVNOHJ-HNNXBMFYSA-N 403.487 1.522 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnn(CC)c1 1286818523 JYQKZZXDWNMAOU-UHFFFAOYSA-N 403.512 1.727 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1287101226 DIYASJNIILPDJF-MRXNPFEDSA-N 409.494 1.198 30 10 HDEE C#CCN(CC(=O)N[C@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C 1292384872 ZLOXENSVKGPDJY-HNNXBMFYSA-N 424.295 1.962 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1-c1ccccc1Br 1294721775 HHDGQLWMSRFMKW-UHFFFAOYSA-N 417.267 1.536 30 10 HDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1298155923 MSAPEFGSGHRYHX-IXEZMPPVSA-N 416.482 1.271 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCN(C(N)=O)C3)C2)C1 1298837881 PGDBPLGLMLANAN-XAHBDIOTSA-N 419.526 1.680 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1299333233 HHHIAQTUTISCGR-GOSISDBHSA-N 422.489 1.732 30 10 HDEE C#CCCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300339611 PSHBUTUYQGHPQZ-KRWDZBQOSA-N 402.543 1.768 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1300425757 WXGQNKVWTTYVKT-UWJYYQICSA-N 416.526 1.288 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C 1300664682 DJPPXIQDDLYJAX-INIZCTEOSA-N 412.556 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCC2)CC1 1300727342 XOVVQZLEGYCYOV-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300949034 NKXLFYQWRRFOLT-SFHVURJKSA-N 412.542 1.478 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1301259417 IYZHHLKVTKFOKX-CQSZACIVSA-N 404.540 1.893 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301508534 NKQJUNJYAIOPKZ-LJQANCHMSA-N 416.570 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](OC)C1 1301585879 CULBPACNGJSFBA-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1302027328 IULZSMCSENNCGE-UZLBHIALSA-N 424.521 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)CC2=O)C1 1304621350 FLZLGSHCYSWZHO-OAHLLOKOSA-N 423.473 1.990 30 10 HDEE CC(C)c1ccc(N2CC[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2=O)cc1 1305590759 SAOUFZKMTIUOAN-SFHVURJKSA-N 421.457 1.380 30 10 HDEE Cc1sc(NC(=O)CN2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c(C#N)c1C 1308146743 KLIOJEGQBUIFNI-AWEZNQCLSA-N 401.496 1.048 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312628213 ZPHAJNQBQJLJQC-QGZVFWFLSA-N 418.519 1.173 30 10 HDEE C#C[C@@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C(C)(C)C 1312830424 WFBQYRKHBRFDFO-QGZVFWFLSA-N 407.492 1.178 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)SC 1314387929 CNULSCAPALCCDA-CQSZACIVSA-N 418.571 1.806 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)C1 1316526885 DHALYTKJDGNAMU-FQEVSTJZSA-N 417.441 1.557 30 10 HDEE C#CCN(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1320594031 PMXLCIORAZLTFU-HUUCEWRRSA-N 401.529 1.464 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1323730887 ULSUTSLSTQPPQJ-SFHVURJKSA-N 423.535 1.231 30 10 HDEE COc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1324578713 SNGKCFKVBYJBDQ-INIZCTEOSA-N 406.446 1.059 30 10 HDEE CCOC(=O)C(NC(=O)COc1cccc(Br)c1C#N)C(=O)OCC 1352460308 IUSZYQUUIOPPTO-UHFFFAOYSA-N 413.224 1.311 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1358886271 ARXQBQLGCXRNJV-VBKZILBWSA-N 416.551 1.901 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)NC 1358899539 PFRONIMKXHJJHL-CQSZACIVSA-N 423.564 1.586 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358927045 LJDIKWDHUBOMMN-KRWDZBQOSA-N 407.478 1.535 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358961766 DZVODLGPHBYQPK-CVEARBPZSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1358964108 UCMWLUGECQLMLI-MSOLQXFVSA-N 422.551 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1CCCN1CCN(c2ccncc2)CC1 1358977384 LENRFDZDTSITIS-UHFFFAOYSA-N 403.534 1.836 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1358989526 FZRNRBMTHOSYLZ-UHFFFAOYSA-N 410.503 1.171 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2Cc2nncn2CC)CC1 1359036596 AUXNHPRFMMKGRW-UHFFFAOYSA-N 404.522 1.592 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nccnc2C)CC1 1359044119 VZNRFQVTOFCGFN-UHFFFAOYSA-N 418.505 1.580 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CC1 1359165009 FBOIRBKAAXVHKL-OAHLLOKOSA-N 409.556 1.499 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359185850 LPUBFVBEWNBQOW-OAHLLOKOSA-N 409.494 1.089 30 10 HDEE C=CCCCn1c(N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)nnc1C(C)(C)C 1359221220 UWRYDEOXDVVJPB-UHFFFAOYSA-N 416.530 1.008 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1359231397 VIHGDAGKBLVITF-AWEZNQCLSA-N 420.539 1.309 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)NCC)c1 1359231398 VIHGDAGKBLVITF-CQSZACIVSA-N 420.539 1.309 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@H](C)C1 1359305100 STSSMARGECXYQK-GASCZTMLSA-N 403.458 1.912 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1359323604 SPLCZFJKXIKJCI-KRWDZBQOSA-N 408.499 1.834 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1435068114 DMSJVMFSKNCCEH-HOCLYGCPSA-N 419.890 1.213 30 10 HDEE CNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1446521260 QXAONGLJSMKUEX-KBPBESRZSA-N 402.517 1.114 30 10 HDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 1453157758 GTESSZDKWIFBMD-WCQYABFASA-N 400.414 1.696 30 10 HDEE CN(CCCNC(=O)COc1ccc(C#N)c(Br)c1)S(C)(=O)=O 1453339143 UFSCQENOKLBTMI-UHFFFAOYSA-N 404.286 1.097 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCc1cncc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1456017091 DFPYGXXFHOTUGB-LJQANCHMSA-N 400.460 1.024 30 10 HDEE C=CCN(C(=O)c1csc(I)n1)[C@@H]1CCS(=O)(=O)C1 1456089094 XPHKZBFGHAUJQF-MRVPVSSYSA-N 412.274 1.563 30 10 HDEE C=CCN(C(=O)c1cn(CC(=O)N(C)C)nn1)[C@H](Cc1ccccc1)C(=O)OCC 1459003784 ZHZUCSQSJKQKLT-GOSISDBHSA-N 413.478 1.169 30 10 HDEE C=CCN(C(=O)c1cc(OC)cc(Br)c1N)[C@@H]1CCS(=O)(=O)C1 1464404684 XSPMJIQGLHAAGH-SNVBAGLBSA-N 403.298 1.855 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)C1 1469546116 PNVBHEIRZMUNPJ-IBGZPJMESA-N 404.536 1.801 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1470032151 FEROXRPEMPYLQO-MSOLQXFVSA-N 412.494 1.152 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CCNC(=O)NCC(=O)NCC#N)c2ccccc21 1470093127 FOHDDDMGBKXTIM-AWEZNQCLSA-N 401.467 1.854 30 10 HDEE C[C@@]1(C#N)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1473664244 YFVGVSRJYBXQLR-NRFANRHFSA-N 416.547 1.986 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(CC(=O)NCc3ccc(C#N)cc3)CCO2)cc1 1473669730 BYJPWVLJYLLILK-HXUWFJFHSA-N 413.499 1.651 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CCOCC1 1475696000 AAHHPCYDLIOVKT-UHFFFAOYSA-N 416.521 1.308 30 10 HDEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1503562649 WUKUCJUJVAVSOC-GOSISDBHSA-N 424.505 1.870 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1507627186 REPPAMNJRHOPHG-LJQANCHMSA-N 410.503 1.447 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C1CC1 1507645846 MFFQSTIJOKREFC-UHFFFAOYSA-N 405.458 1.315 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1COCCO1 1507671019 BSISPIZOOUPUTR-LJQANCHMSA-N 404.474 1.395 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCOCC1 1507713234 BRABQQMUQRWSJV-UHFFFAOYSA-N 423.517 1.978 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507935611 SKBXKVYQFDHJNL-HZPDHXFCSA-N 402.499 1.611 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC 1507998174 MJDDSLUHXVEUAX-QGZVFWFLSA-N 412.494 1.567 30 10 HDEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1508066533 AWWPXDUOULZNFI-UWJYYQICSA-N 418.542 1.698 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC=C 1508080951 UPQZECFWKWZCOX-UHFFFAOYSA-N 403.512 1.163 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(OCCOC)CC1 1508081802 PHZRNOSSVWOBGS-UHFFFAOYSA-N 400.483 1.274 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1508122400 ILROTDLFXWDXEP-KZNAEPCWSA-N 424.567 1.778 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1515911454 FNAXUXCPYDQVLF-AOMKIAJQSA-N 407.522 1.825 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nncn1CC 1516540226 UJHHADJJVRNYDJ-UHFFFAOYSA-N 409.454 1.009 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)C1=O 1519603710 USPRPMITCNLXSJ-AWEZNQCLSA-N 404.268 1.889 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1521628310 PFUWCMFAJVSDAL-IBGZPJMESA-N 406.504 1.355 30 10 HDEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1526731537 PFNUZXCDEXPVGM-CQSZACIVSA-N 410.434 1.483 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1529123325 AQYLCDQBTQAQFG-XKQJLSEDSA-N 420.491 1.228 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1533739973 YFAPOJFPXWYLAZ-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C(C)(C)C 1535366287 XKTNPHBJLQUIMX-UHFFFAOYSA-N 424.519 1.599 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1538577823 RWMHYWYBFCICQS-GJZGRUSLSA-N 417.528 1.236 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1538975914 FPZKVPDIUSZRJU-DYESRHJHSA-N 405.543 1.499 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCCN2CCCO)c1 1539040178 NWQXXNOHCOWHNU-FQEVSTJZSA-N 410.522 1.490 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCC2)CC1 1539490650 YISBBMXLGUYPOU-UHFFFAOYSA-N 402.543 1.266 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC2CC2)CC1 1539861765 ZZBFPGCZHUYUNQ-ROUUACIJSA-N 424.567 1.983 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1540034101 WIGASYBZRXKVOZ-JKSUJKDBSA-N 420.514 1.537 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1 1540176382 BFXUAQYWVGUABA-WMZOPIPTSA-N 405.499 1.039 30 10 HDEE CC[C@H]1CN([C@H](CC)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCO1 1540590946 HBLQUYXVZRFXID-FUHWJXTLSA-N 401.511 1.962 30 10 HDEE CC1(/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1540728517 KKOQTFDRGIFPIY-VOTSOKGWSA-N 403.504 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(C)(C)C)C1 1540897274 FUHABRJHZOBERT-OAHLLOKOSA-N 411.572 1.890 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCOCCS(C)(=O)=O)CC1 1541993800 DGNVVSRDUSBORR-OAHLLOKOSA-N 411.528 1.321 30 10 HDEE CCOc1ccc(C2(CNC(=O)Cn3cc(C#N)c(O)nc3=O)CCOCC2)cc1 1542255530 FTCVOFCBGLBLOY-UHFFFAOYSA-N 412.446 1.084 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)C3CC4(C3)CS(=O)(=O)C4)CC2)c1 1542702582 JISUAPKDYVFNEU-UHFFFAOYSA-N 401.488 1.560 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(cc2Br)OCO3)CC1 1542894636 FXDUIUHXPJQIKD-UHFFFAOYSA-N 422.279 1.075 30 10 HDEE Cc1nnc(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)n1Cc1ccc(C#N)o1 1543351218 GLMPAKHRCGKHHF-MRXNPFEDSA-N 402.455 1.829 30 10 HDEE C#CCN(C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1545062913 QNIUCEYTRKDENX-IRXDYDNUSA-N 421.519 1.166 30 10 HDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1548272780 VGWMVFJBPIYTQA-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1555201211 WGLAHOXQEXFALT-QGZVFWFLSA-N 416.457 1.096 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC2CC2)C1 1555985306 MJFQIFHPQDQRCD-GOSISDBHSA-N 403.849 1.962 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccc(C)cc1 1556174868 YFOSYVBRFOOALZ-UHFFFAOYSA-N 403.460 1.809 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1556907845 BHRQLMSFKXTVIH-UHFFFAOYSA-N 404.286 1.312 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Sc2ccccc2Cl)CC1 1558072830 FRTUTKOKMQVJJZ-CYBMUJFWSA-N 401.941 1.432 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[C@H]1C1CC1 1558643264 QLCBMTBWNGDXHP-ZKNHNOBHSA-N 423.535 1.561 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1cc(F)c(C#N)cc1[N+](=O)[O-] 1559210546 VKPNMFSNXPDHIP-UHFFFAOYSA-N 412.374 1.907 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 1561423495 DBTJMCUGYHQXCF-UKRRQHHQSA-N 401.282 1.937 30 10 HDEE C#C[C@H](CO)NS(=O)(=O)c1c(Br)cc(F)cc1Br 1561602630 WEIOHQLLUJNTTF-SSDOTTSWSA-N 401.051 1.623 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)C1 1561913349 ROZLPOGACUDXIT-MRXNPFEDSA-N 417.535 1.467 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 1565057171 UOBIKWSDBBRWBK-NDEPHWFRSA-N 419.429 1.566 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cnc(Br)cn2)CC1 1565173506 CZCQCLIRDLLOIL-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)C(F)(F)F)CC2=O)cc1Cl 1584266102 TUPSNJOMOLLDMD-JTQLQIEISA-N 423.800 1.615 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](c3cccc(Cl)c3)OCC2(C)C)C1=O 1586367104 UBSMRBJTRRHTSS-OAHLLOKOSA-N 419.865 1.995 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCOC)CC2(C)C)ccc1F 1586445580 DGKPQBYJDWYRAJ-UHFFFAOYSA-N 413.515 1.473 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1OC 1587187612 ZAUCNXPFTJMLSD-QFIPXVFZSA-N 408.458 1.913 30 10 HDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1587783286 NPMYMMCVYLIHEK-SFHVURJKSA-N 408.506 1.917 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C1CCOCC1 1587810812 VBWSXVHPYBRQQT-RKLIJYKOSA-N 409.486 1.334 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1588560816 VPCKDXHRBSYSAX-OAQYLSRUSA-N 417.485 1.549 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@]2(C)CN(C3CC3)C2=O)n1 1588723774 PNIAMQQIZKDULW-NRFANRHFSA-N 411.510 1.080 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)CC1 1589558995 NEYOLDJNBRVZDH-TZIWHRDSSA-N 410.522 1.914 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1593747231 SBFWBVVPKQDVND-RCCFBDPRSA-N 424.567 1.636 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1595615110 QRXLAVRBFVSVJG-CYBMUJFWSA-N 404.533 1.408 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)s1 1597983758 CJCKYNNLFMQABE-UHFFFAOYSA-N 405.501 1.879 30 10 HDEE O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCC(F)(C(F)(F)F)C(F)(F)F 1611602195 NQJAVYMXEBSESV-YGBUUZGLSA-N 406.254 1.098 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1611740691 KMSKGNMRPOUMLX-LXZKKBNFSA-N 414.441 1.565 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1618125740 AZNAWMZYFPSPRK-QGZVFWFLSA-N 422.493 1.464 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1618596384 XGERZWZEWNHIRW-NRFANRHFSA-N 405.462 1.739 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1619510897 PUQSIOACUKJFFJ-KSPIOAOGSA-N 416.526 1.963 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1619844827 GKHOTHBMFJDAIH-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCCC2)cc1 1620351713 DZAJICRYNHUHMD-GOSISDBHSA-N 423.521 1.526 30 10 HDEE COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H]([C@H]2CCCO2)C1 1620605158 AQJFJTAHOUHUPL-YXYSEUPNSA-N 402.491 1.925 30 10 HDEE CNC(=O)[C@@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1622935691 GLBUPZXLDUDILF-AQZMIJIOSA-N 404.511 1.900 30 10 HDEE C=C(CN(C)C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1628403458 OFZFWXZOYJDQGZ-UHFFFAOYSA-N 411.524 1.091 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1630761725 BBTKHXBZKVESGA-UHFFFAOYSA-N 402.451 1.932 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1 1631432863 CGOOVJSLLCWMSR-IBGZPJMESA-N 406.504 1.157 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C(F)(F)F)c1 1632876041 CTLSAPCGAQUPPS-AWEZNQCLSA-N 401.370 1.212 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1635643142 NXDPACNGAQNDMD-QWHCGFSZSA-N 413.906 1.891 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nc4c([nH]3)CCCC4)C2=O)cc1 1635855107 ZVPUTCJAGLDPEY-KRWDZBQOSA-N 406.446 1.682 30 10 HDEE O=C(Cn1ccc(O)nc1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463666 MJQISPPRVGWFLD-RNFRBKRXSA-N 421.244 1.578 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1638177142 NXEQBXIGLASQQS-WTIFFKHKSA-N 406.483 1.713 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCOCC1 1639066179 TUMNZAMCCCMYKT-KRWDZBQOSA-N 423.535 1.596 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C 1639824013 MBBJPOZAAZRPQB-KGLIPLIRSA-N 402.923 1.601 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN2CCCC[C@@H]12 1640445732 SFCGRXSMVOFEOZ-SJORKVTESA-N 404.536 1.638 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCc3ncc(-c4ccccc4)o3)C2)c(=O)nc1O 1640636897 PCOMGXVMPOKAMI-UHFFFAOYSA-N 405.414 1.882 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)CCOC1 1641763882 NTKGKJOPXMDBMK-NRFANRHFSA-N 410.430 1.303 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1642034990 OOYPTOQQBJQPQH-AWEZNQCLSA-N 408.203 1.643 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC(=O)c3ccccc3O2)s1 1643774756 YCDQQBNMPRCKKA-CYBMUJFWSA-N 420.512 1.905 30 10 HDEE CC(F)(F)CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1645607748 XVPVGOGBRCQJER-MRXNPFEDSA-N 419.432 1.563 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nc(C(=O)OCC)c(=O)c3ccccc32)c1 1651805048 ZMHAKQJRPNEWOT-UHFFFAOYSA-N 418.409 1.903 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)C3(C#N)CC4(CC4)C3)n2)CC1 1654390209 OGWJBJADPGZXKQ-UHFFFAOYSA-N 401.471 1.884 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1655570147 HIBOIYGPVPIKDI-GJZGRUSLSA-N 404.533 1.328 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)C1=O 1663627433 KLZFPWUOLPOEMO-KRWDZBQOSA-N 403.504 1.393 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1665676544 PUMZKQOORLJGIV-QGZVFWFLSA-N 406.504 1.669 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)OCc2ccc(Br)cc2)CC1 1665750610 NETGLKOGBXWNGG-UHFFFAOYSA-N 416.297 1.171 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)nn1 1670839208 SRZRGRPHTJGRGM-UHFFFAOYSA-N 402.835 1.912 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](NC(=O)OC(C)(C)C)C3)CC2)c1C#N 1687837953 AMNIXKWSVIXYLT-SHTZXODSSA-N 417.514 1.488 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)F 1689943342 QCOWEQZSJPJSIV-UHFFFAOYSA-N 404.421 1.671 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689994499 ZHLWMEDZERUCJX-XLIONFOSSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc([C@@H](C)O)cc1 1690052097 ADSAPVVTXGISME-GOSISDBHSA-N 405.502 1.965 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nnc(C)s2)CC1 1690115001 ODHUCCNTPIVHSE-UHFFFAOYSA-N 424.490 1.817 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690115367 CHLNRBUTYUNAKG-UHFFFAOYSA-N 419.551 1.815 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCC(F)F)CC1 1690131977 CAMLRUNEOJVCJP-UHFFFAOYSA-N 407.469 1.177 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)c(F)c1 1690675041 OFAMFWSDSRSSOL-UHFFFAOYSA-N 418.448 1.617 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690743467 AGMFIVZTRPPZRH-RTBURBONSA-N 420.627 1.917 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCO1 1692525404 YJVLVCSZKQEHFJ-OAHLLOKOSA-N 411.466 1.130 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CCn3cccn3)n2Cc2ccc(C#N)o2)n1 1693419853 UEWJABUKVOLANO-UHFFFAOYSA-N 405.466 1.986 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)N(C)C 1694325724 DQSUNLAERASDIX-LJQANCHMSA-N 407.494 1.507 30 10 HDEE Cn1cnnc1[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1696872652 GTGXPQCPIOESRD-GOSISDBHSA-N 422.493 1.686 30 10 HDEE COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1697883749 SDNIXARVFRTXAB-XJKSGUPXSA-N 402.455 1.169 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1698061228 NBNCOZDHBPVALU-KSZLIROESA-N 407.515 1.590 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCC(O)CC1 1698227370 DVEKHZMQIAFIST-AOIWGVFYSA-N 420.558 1.587 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(CC)CC)N1CCOCC1 1705539832 DPNIDSPLFKIPJF-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566876 RGHWGRIONANRPV-QZTJIDSGSA-N 405.568 1.657 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C 1705604196 HRPGLCGRFALALU-ULQDDVLXSA-N 411.572 1.799 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCCC1 1705668523 NZDZDBRHJHFWET-VQIMIIECSA-N 408.572 1.366 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705674336 FYRZLCGVMCYXCG-GPMSIDNRSA-N 407.540 1.198 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)NC 1705677182 FHPQPNFNDBUIDZ-HXUWFJFHSA-N 417.535 1.707 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1705721142 MFIBJLFZWXWWIJ-CQSZACIVSA-N 413.544 1.586 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705830746 WUGZEZKYPQDJMM-VQTJNVASSA-N 419.570 1.923 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCOCC1 1705876675 GHHNYOSYMOCOLT-UHFFFAOYSA-N 402.543 1.690 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC)C1 1705929339 OXXASEQPBAQHHE-KRWDZBQOSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705930906 YKPKMQATBCZLAV-CALCHBBNSA-N 413.588 1.548 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1706019792 FBRNGJLYOWKZHQ-LJQANCHMSA-N 423.521 1.790 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1710892696 IPQCKQCWJISFMR-INIZCTEOSA-N 404.496 1.003 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1712578144 SNMUPGAXSRUEHS-IAGOWNOFSA-N 407.515 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1722294480 WTCHFNREJUMDSB-WCQYABFASA-N 406.288 1.346 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1722366673 IZXSOVWVNUBNIR-RKOGDMNLSA-N 424.592 1.474 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1722404768 FJABXLUSDRZBAF-FQEVSTJZSA-N 417.535 1.881 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1722438964 IXQQSCVYIBQMBL-UHFFFAOYSA-N 414.941 1.756 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722481609 FDEUFBVGDFGNOU-RYUDHWBXSA-N 407.228 1.758 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1722607943 OHYDTRFAKNCIPZ-UHFFFAOYSA-N 404.559 1.931 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1723652157 KPVSHGXMRHZVQU-NHCUHLMSSA-N 418.542 1.973 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)C 1728903068 ADFMEUUPVYEYCJ-IRXDYDNUSA-N 414.510 1.935 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740564956 DJSXPPAOMHPHKI-MRXNPFEDSA-N 407.540 1.331 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740626808 NHIIECXDKUFTIO-IRXDYDNUSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nccs1 1740629976 DAOGACMFDNFWQZ-AWEZNQCLSA-N 406.537 1.050 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[S@](=O)C(C)(C)C 1740631304 AMDHAHPYGAQSQY-MMTVBGGISA-N 406.552 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1740636463 ZQRYHTISFOWNRT-UHFFFAOYSA-N 413.503 1.062 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1740636735 ARAJECCZVMUEHR-QHCPKHFHSA-N 402.502 1.576 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1740717743 ZTNRHPYEAIHFDW-DLBZAZTESA-N 423.608 1.221 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Br)s2)nnc1N1CCOCC1 1740954120 CFYKWXFLMOQZAH-UHFFFAOYSA-N 412.313 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](CC)C1 1740959481 WZMJOIJKPZBTNQ-AWEZNQCLSA-N 423.477 1.511 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1748638132 JKOWOCHANUDTKJ-AWEZNQCLSA-N 415.494 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1748655825 GSMTZKMVRJSXPK-YPMHNXCESA-N 401.858 1.440 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCN(CC)C1 1748785103 YHYDNFUHEVPQEX-INIZCTEOSA-N 415.567 1.649 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1749626248 ZDYWIDHLZOSZQO-CQSZACIVSA-N 416.448 1.506 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCOC 1749726747 CUPJRJFFRKWFDM-UHFFFAOYSA-N 408.480 1.357 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1750101316 RETHLRKTAFIQNQ-NRFANRHFSA-N 413.478 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(C)(C)O)CC1 1760254922 PXODSTVGRZXBOI-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1760270286 NZFUNOUBKFYOEB-GOSISDBHSA-N 417.554 1.638 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1760270650 UJOHTEXAJKNABG-GOSISDBHSA-N 424.553 1.209 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1760276030 QXXOQPXFZRQDLO-GOSISDBHSA-N 413.547 1.841 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1760351648 IZYCKUPKPZUPMJ-UHFFFAOYSA-N 419.448 1.903 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2conc2COC)CC1 1760397389 RWJUIOUDZPIPNM-ZDUSSCGKSA-N 424.527 1.473 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760518372 SIAHSWGLZGHODW-CQSZACIVSA-N 421.523 1.125 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CCOC2)C1 1760547407 KHZADHZTUVTGLC-IIBYNOLFSA-N 418.469 1.929 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1760623341 UGURWOVYQHQCFK-AEFFLSMTSA-N 403.531 1.075 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1761359879 BQVNGMLMMHVALF-APWZRJJASA-N 423.521 1.852 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1Cc1ccc(C#N)o1 1761468375 WFIYEBTVPDBDEB-ZDUSSCGKSA-N 415.479 1.433 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1762603771 CMTXBIUXCYBDNJ-KRWDZBQOSA-N 418.523 1.128 30 10 HDEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766524425 XPANMWJXQBEGSZ-IAGOWNOFSA-N 401.515 1.222 30 10 HDEE CN(C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CCOCC1 1766900890 FXRFYVKLLNRGJT-UHFFFAOYSA-N 415.542 1.365 30 10 HDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768453289 CPHHYSWMUQSBJU-MRXNPFEDSA-N 411.466 1.143 30 10 HDEE COC1(C(F)(F)Cn2c(C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1769697761 JSTYGUWEJSHUQU-MRXNPFEDSA-N 410.469 1.594 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CCOCCCO)cc1 1771532048 NLZBKMXFYNYADZ-YOFSQIOKSA-N 411.506 1.813 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc(CC4CC4)n3CCOCCCO)CC2)c1 1771534343 XUECQPKSQQMXRD-UHFFFAOYSA-N 411.510 1.223 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CC[C@@](OS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)(C2)[C@@H]1N 1772502507 WSWIXQJVPSZGFH-IHPHSJBYSA-N 413.536 1.787 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC#Cc3cnn(C)c3)cc2)C1 1850309682 JPWAYOWTZREMCE-IAGOWNOFSA-N 414.531 1.868 30 10 HDEE N#CC1CCN(C2CCN(C(=O)COCc3nc(-c4ccncc4)no3)CC2)CC1 1850453139 KVOOEZRPSYAQPU-UHFFFAOYSA-N 410.478 1.875 30 10 HDEE COc1cccc(-n2nnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)c1 1850575792 IEDQXPKEUOKTMU-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3sc4c(c3C#N)CCN(C)C4)CC2=O)CC1 1850928080 UGVCQJQNQLZCBU-ZDUSSCGKSA-N 401.536 1.489 30 10 HDEE C=CCN(CC(=O)Nc1ccc(I)cc1)[C@H]1CCN(C)C1=O 1851342637 KJEQLAJUGMIQIG-AWEZNQCLSA-N 413.259 1.948 30 10 HDEE CO[C@H](C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N)[C@@H](C)OC 1851809138 SWNLMMYQOQPXOU-YPMHNXCESA-N 402.904 1.383 30 10 HDEE Cn1cc(C#CCNC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)cn1 1852873136 PQXCZVAPAPWSRA-UHFFFAOYSA-N 417.517 1.726 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(CCC)on2)C1=O 1854101988 ZZOXVBKBAINEJR-ROUUACIJSA-N 402.495 1.867 30 10 HDEE Cc1cc(OC(C)C)ccc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C1(C)C 1854388291 MURMXVLAIUUVNE-UHFFFAOYSA-N 407.492 1.834 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)c2ccccn2)C1=O 1854799291 VYIGOAZDNZCCMF-GOSISDBHSA-N 405.462 1.085 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cn1 1854941544 RRQAGLPBPCDRAX-MJGOQNOKSA-N 413.522 1.920 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)C1 1854979198 KBAAOISRRINZAQ-JKSUJKDBSA-N 416.547 1.872 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4nccnc4n3)C(=O)C2)C1 1854980135 SALIKZUTHMASRP-HOTGVXAUSA-N 407.478 1.076 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccc(C)cc3)C2)CC1=O 1855104478 PHSVVQNMMVYUDI-LJQANCHMSA-N 419.547 1.536 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)Cn2cnc3ncccc3c2=O)C1=O 1855854577 TWURQLXTKNDHKM-AEFFLSMTSA-N 409.490 1.740 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(C[C@@H]3COCCO3)c3ccccc32)CC1=O 1856934941 XOLABQHMDKNKRX-IAGOWNOFSA-N 413.474 1.206 30 10 HDEE CCC[C@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387430 MOCWERYLWSKOIZ-HOCLYGCPSA-N 402.474 1.372 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@H]1c1ccc(O)c(O)c1 1864010036 NPZYSNOJRZKILS-GOSISDBHSA-N 419.441 1.984 30 10 HDEE COCCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN(CCO)CCO 1870348985 VHHRADGJITXUKL-UHFFFAOYSA-N 415.490 1.122 30 10 HDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCC(O)CC1 1870495390 DHGUYRJWLVEMAI-UHFFFAOYSA-N 403.523 1.628 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873562636 MDYPTUPFZZPMCC-UHFFFAOYSA-N 418.505 1.970 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)c1 1891126503 TYWJUEJJRWVVOC-CVEARBPZSA-N 411.487 1.864 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)COC1 1985175648 AZELWXTWOUFPHS-GOSISDBHSA-N 414.506 1.859 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1n[nH]c(CCNC(=O)OC(C)(C)C)n1 1986081138 TYAFCMIEGPOUJM-UHFFFAOYSA-N 410.294 1.522 30 10 HDEE C#CCN(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2010401404 DYPYDXYWOYSHJJ-UHFFFAOYSA-N 416.287 1.585 30 10 HDEE C=CCNC(=O)[C@@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074692931 UIYOIXPKOFVGCX-XYQNDFJNSA-N 410.492 1.584 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174778815 BHULVRJOBCHRHM-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1[C@H]2OCCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C 2174781138 CEJCQIFPNRIUPZ-QCODTGAPSA-N 401.529 1.772 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 2174785519 ZWJIAJKNMCIDCA-RRFJBIMHSA-N 402.517 1.081 30 10 HDEE CO[C@H]1CC[C@@H]1CS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2239423548 REWGHFMWNVSSNM-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247835932 SUTROHHBIDECKQ-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE N#Cc1ccsc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249459704 HVVQJXXXXUZGHC-CYBMUJFWSA-N 409.445 1.741 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCCC#CBr)C1 2249999607 XTHCCUIVDIKKET-GFCCVEGCSA-N 423.329 1.273 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC34OCCO4)s2)OC1(C)C 2255941343 HRJURAZTLMFBKT-LBPRGKRZSA-N 415.342 1.621 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](N)C(F)(F)F)s2)OC1(C)C 2267374450 RTUDIRQNQZKNRP-QMMMGPOBSA-N 400.253 1.215 30 10 HDEE C[C@H]1CNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709885 JSHJNAQNYFAUJW-GXSJLCMTSA-N 406.766 1.587 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N(CCCN(C)C)CCNC(=O)OC(C)(C)C 2280550317 JBHGTLABUAZIGY-MRXNPFEDSA-N 404.577 1.890 30 10 HDEE Cc1nc(C(=O)NC[C@H]2CCCS2(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282027691 TZFIBWPLXUZNBI-LLVKDONJSA-N 400.331 1.058 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC[C@H]3O)cc2Cl)OC1(C)C 2282311335 HDKOYJFQNNKYOW-WDEREUQCSA-N 423.749 1.129 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)N1C 2282329215 JRLMCCNGKNYRNY-BETUJISGSA-N 400.375 1.760 30 10 HDEE C[C@@H]1CNC[C@@H](C)C1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494781 CHYRBOOGGWAWTF-VXGBXAGGSA-N 400.375 1.570 30 10 HDEE CO[C@H]1C[C@@H](CF)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282507140 CEELDXJDKHGDFO-RYUDHWBXSA-N 405.322 1.795 30 10 HDEE C[C@H](O)C1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282507704 LMKFNGROPYJUMV-NSHDSACASA-N 401.721 1.641 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282619013 VRVUJLVJVWFYMV-LLVKDONJSA-N 400.331 1.139 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ccsc2Cl)n1 2282843706 RFAQKNSJWCQBGI-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CN(C[C@@]1(F)CCOC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848521 OIJMURSQNIPEDA-INIZCTEOSA-N 405.322 1.796 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1OC 2282849209 XUBPNKQZUBGBNY-RYUDHWBXSA-N 403.331 1.082 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NOCCN(C)C)c1B1OC(C)(C)C(C)(C)O1 2282871730 LGFYPVYNQSNHNZ-UHFFFAOYSA-N 404.363 1.436 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CC(=O)O)CC1 2284392911 CZYJVSNKTXSUAK-UHFFFAOYSA-N 401.315 1.641 30 10 HDEE CCCN(CCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284405300 IWICOUDPSLMGSW-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C=C(CS(=O)(=O)N(C)C[C@H]1C[C@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2285332238 GGVMXUGLSCZHBM-HDJSIYSDSA-N 407.363 1.259 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2298371045 WTHSQGTWFCSYKA-UBHSHLNASA-N 418.303 1.447 30 10 HDEE C[C@@H](C#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2302380694 OJQIBALDHCTDTA-ZDUSSCGKSA-N 416.287 1.631 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2365197079 SIMRVINNSYJHFT-LSDHHAIUSA-N 404.573 1.798 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365205247 SVXCPCDSUCRYIE-SPYBWZPUSA-N 402.557 1.729 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)(CO1)C2 2365208871 DMMXREWDZRVJKY-JVPBZIDWSA-N 400.541 1.604 30 10 HDEE CN(C(=O)OC(C)(C)C)C1([C@H](C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)CC1 2367789666 DNOZFBGMUFKFBN-ZDUSSCGKSA-N 401.481 1.436 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796574 QMWRARCLMOTAEZ-ZIAGYGMSSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367847758 OEBZDCBOLWIEBQ-GFCCVEGCSA-N 413.521 1.514 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)[C@H]2CCS(=O)(=O)C2)OC1(C)C 2369889222 KWQSOUVNNWXQDV-JTQLQIEISA-N 419.761 1.752 30 10 HDEE O=C(COC(=O)c1cccc(O)c1)Nc1cccc(S(=O)(=O)/N=C2\CCCN2)c1 6120102 OZWZROHEEREYLD-UHFFFAOYSA-N 417.443 1.658 30 10 HDEE COCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 55978343 IXOOUGMSNIOJDG-ZDUSSCGKSA-N 406.913 1.426 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C2\C(=O)Nc3ccc([N+](=O)[O-])cc32)cc1 59154052 JJTJWWUDEYGFCN-UHFFFAOYSA-N 403.376 1.188 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)nc1)c1ccc(S(C)(=O)=O)cc1 431227743 BBTMYWGAQUXEQM-LJQANCHMSA-N 401.444 1.565 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 437986479 MRMXSKFAZHMREF-LPHOPBHVSA-N 422.551 1.408 30 10 HDEE N#Cc1cnc2c(F)c(F)c(F)cc2c1N1CCN(CC(=O)N2CCOCC2)CC1 439105446 IIZKXBMRNAHQFJ-UHFFFAOYSA-N 419.407 1.505 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440376741 BKNXRBOGUWCZDQ-INIZCTEOSA-N 411.483 1.672 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)cn1 462091175 XTUODVHJROBKME-GOSISDBHSA-N 416.445 1.847 30 10 HDEE N#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 468184565 WMPHAXDMUSSJRZ-GUYCJALGSA-N 416.434 1.207 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCOC4(CCSCC4)C3)CC2)c1C#N 472075863 QZTDFYMIYUBJED-MRXNPFEDSA-N 418.567 1.877 30 10 HDEE COC(=O)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)c(O)c1 473130883 XCZYRYZSGFXAAR-GOSISDBHSA-N 404.444 1.550 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 484886597 ZYXFPKIFNFOZQW-IBGZPJMESA-N 413.584 1.205 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)ccc1F 488938832 HBZZGOCUAIVIFM-UHFFFAOYSA-N 416.478 1.320 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)c(F)c3)cn2)CC1 489110136 QOGLTOUIFIIKPF-UHFFFAOYSA-N 403.483 1.713 30 10 HDEE CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)c1cnc(C)c(C#N)c1 489113096 PYUXHZIRAIAIAL-QGZVFWFLSA-N 408.524 1.690 30 10 HDEE COCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCOC1 490295476 CBQUONLBPYNTRR-IAGOWNOFSA-N 400.435 1.027 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2COC2CCOCC2)CC1 494814533 WEVZYWNDSDWBSY-UHFFFAOYSA-N 401.507 1.442 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 503631106 UABITVKCRWASDY-CQSZACIVSA-N 409.412 1.901 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n[nH]1 513931758 NJLUWVZJXJIVOL-MRXNPFEDSA-N 402.480 1.673 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2)c(=O)n1C 514918842 VVFFLCBFBFELRP-UHFFFAOYSA-N 421.434 1.750 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC1CCN(CCC(=O)N(C)C)CC1 521342791 BCJCUSHMPSUONE-UHFFFAOYSA-N 416.522 1.785 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 537301336 HLEVKGKFYRCWHI-CYBMUJFWSA-N 418.479 1.533 30 10 HDEE CCN(C(=O)c1ccc(C#N)c(C)n1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 539354816 LWZLCUDQPCNZCJ-UHFFFAOYSA-N 406.490 1.988 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@@H]2CCCCO2)cc1 549662181 XWMIUOYRRWRTTE-PMACEKPBSA-N 408.506 1.907 30 10 HDEE CCOCc1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCCO1 555469828 SCWAPSZUJVYYOU-GOSISDBHSA-N 411.510 1.977 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 559773997 LKXQGGSISUUINP-ONTIZHBOSA-N 419.520 1.992 30 10 HDEE Cc1c(CN(C)C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cnn1C 581864374 NSUCWBOXCXJTNY-UHFFFAOYSA-N 411.853 2.036 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)CC1 604194572 QLZXXODRZXYKJJ-INIZCTEOSA-N 407.465 1.173 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)cc1 606059813 AGBCYPJIBVYXQQ-UHFFFAOYSA-N 401.467 1.498 30 10 HDEE CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2O1 609256273 ZTCYLYYLWMUALT-LJQANCHMSA-N 424.432 1.634 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cc1 615307018 HHIPYWNLBLYZBK-GOSISDBHSA-N 402.414 1.153 30 10 HDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670211035 KKYRSLOFCRXURZ-FXAWDEMLSA-N 411.554 1.849 30 10 HDEE O=C(NCC#Cc1ccc(C(F)(F)F)cc1)NCCCN1CCCS1(=O)=O 674431855 YSVGWSYKHCEJHG-UHFFFAOYSA-N 403.426 1.782 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 679503733 VGPJSIKGGXGXPJ-UHFFFAOYSA-N 417.915 1.567 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(Oc2ccc(F)cc2)CC1 734669325 SXOPPHVVAGIUCA-HNENSFHCSA-N 402.426 1.905 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 744895906 XYBHPXYYHXIZFC-MEBBXXQBSA-N 421.397 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 745100092 MCBOPPSONIYHLD-VUAZUDAXSA-N 407.423 1.025 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2Cc2ccccc2OC)c1=O 746714388 MPXBDFNFWILEKR-GOSISDBHSA-N 412.490 1.217 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1C#N 747443006 AQJNGCGZMLUXKG-UHFFFAOYSA-N 402.410 1.820 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1C 747495826 VEKCFOICUBVGSC-UHFFFAOYSA-N 416.459 1.038 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1C#N 747496151 ZHWAHSZPRSDORL-UHFFFAOYSA-N 422.441 1.294 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc1 747801720 DRDIXJPCLKACLV-MRXNPFEDSA-N 407.517 1.596 30 10 HDEE Cc1ccc(F)cc1NC(=O)C=NOCC(=O)NC[C@@H]1CN(CC(C)C)CCO1 749790581 DJSNZAOUXQCTRB-QGZVFWFLSA-N 408.474 1.548 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)cn1 759696667 KDRUCSMSMBNECG-INIZCTEOSA-N 404.540 1.621 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 762523410 XKTCXLBTNKBHQG-KRWDZBQOSA-N 416.503 1.438 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)[C@H]1CCCO1 773057513 OXVZQLYFTCVUBX-DGCLKSJQSA-N 424.447 1.119 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1C1CC1 777752406 MPKMQXZURMEKFI-RHSMWYFYSA-N 405.861 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)c2C1 782416644 HRNFMNVMGSFEMT-FQEVSTJZSA-N 417.466 1.668 30 10 HDEE N#CC1(NC(=O)COC(=O)c2cc3c(cc2Br)NC(=O)CO3)CCC1 784244406 UMMWPNCKESDHET-UHFFFAOYSA-N 408.208 1.499 30 10 HDEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)c1ccc(F)cc1 794893121 AMICTYADOLLPRQ-MDASCCDHSA-N 404.463 1.653 30 10 HDEE C#C[C@@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1F 804420146 DHZFGRKPIZXZME-BEFAXECRSA-N 421.856 1.885 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1)[C@@H]1CCCO1 806746899 WJNUAMPZBLGLQO-JLSDUUJJSA-N 417.462 1.297 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812429708 UKZVPELUVMQIAP-IAGOWNOFSA-N 415.519 1.312 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)(F)F)cn1 814709643 DIEGIGKYUNPYIU-ZDUSSCGKSA-N 416.498 1.558 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 820185929 RUAOKTJLQYRQKR-OAHLLOKOSA-N 411.386 1.486 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2n[nH]cc2I)n1 1116845015 ZHFPOOJFKBASGY-UHFFFAOYSA-N 413.219 1.133 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1c(C(F)(F)F)nc2n1CCCC2 1124651445 QVQHKZVXNAWMIT-UHFFFAOYSA-N 409.372 1.922 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2=O)cn1 1127911977 SRCATOAIVVJFAR-APWZRJJASA-N 420.473 1.347 30 10 HDEE C=CCC1(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CCOCC1 1130902248 NVEKPPVVVQBBOH-UHFFFAOYSA-N 411.524 1.120 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@]34CCC[C@H]3OCC4)CC2)cc1 1132727376 QPWWDXTUQSOPQT-QUCCMNQESA-N 403.504 1.787 30 10 HDEE C[C@@H](C(=O)Nc1nc2n(c1C#N)CCOC2)c1ccc(S(=O)(=O)N(C)C)cc1 1135006077 OIJUBYVIOGFZMG-GFCCVEGCSA-N 403.464 1.277 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCC3(C2)OCCO3)s1 1138150518 IIBPFLWGGMRHFZ-ZDUSSCGKSA-N 400.522 1.557 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(I)nn1C 1146221058 MLZODRYTEBGFNB-ZDUSSCGKSA-N 410.215 1.702 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)CCc1ccc(C#N)cc1 1147634259 YPJHKMDQIJJPGX-OAQYLSRUSA-N 403.479 1.605 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 1151158339 IIVDRICXAOHSGF-CQSZACIVSA-N 409.493 1.748 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1190503979 GULWZKWNWZRSOY-OLZOCXBDSA-N 424.338 1.865 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)C1 1199315922 PVWCRYFYQPCUDD-KRWDZBQOSA-N 400.479 1.387 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)C1 1199315927 PVWCRYFYQPCUDD-QGZVFWFLSA-N 400.479 1.387 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1227218579 KQTCTGNMPRDQCU-UFYCRDLUSA-N 400.523 1.774 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnn(C)c2)CC1 1286052910 CZCWGMFBBNLFJF-XITVERIXSA-N 422.529 1.400 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 1286397000 ZXBSJCDULFZMMO-SJORKVTESA-N 402.520 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)=O)CC1 1286779144 FKXJOHYPTJUXFC-UHFFFAOYSA-N 416.913 1.959 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCOC2)C1 1286807790 RBKGVUZRNZLMSS-UTKZUKDTSA-N 402.470 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1286825772 XJOKQBIRPGNKOT-GVDBMIGSSA-N 411.572 1.649 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)CCOC1 1288277430 QUNDEQHWPFCSBX-NSISKUIASA-N 406.531 1.124 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1291159548 QHVFRRDCELGIBM-BAEHRGANSA-N 410.482 1.440 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1cc(F)c(C#N)c(F)c1 1296841993 MPLPZYWHOYRKPY-UHFFFAOYSA-N 424.429 1.126 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2c(F)cccc2-n2cccn2)cc1 1298006516 BKTFDWKEOUBPKJ-UHFFFAOYSA-N 412.446 1.853 30 10 HDEE C#CC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1299179421 YCPFOGMNNIILIL-ZIAGYGMSSA-N 405.455 1.145 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300484173 RQAIJPHLHFYYHI-INIZCTEOSA-N 416.503 1.105 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCS(=O)(=O)C1 1300536178 FZYYCFCCKULKFI-CVEARBPZSA-N 417.535 1.908 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCCN1CCC(O)CC1 1300538422 QZWOWVOPHKJMEC-UHFFFAOYSA-N 409.509 1.928 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N(CC)CC)CC1 1300731735 IAXGYHWVPJPXLK-IEBWSBKVSA-N 416.570 1.826 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300905846 WVHKNVPMBUJSKE-FQEVSTJZSA-N 415.519 1.769 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1301040958 IMYBYXONRBEYKM-WMLDXEAASA-N 400.932 1.940 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301458920 JVDZZUSIYFYMAN-RTBURBONSA-N 410.522 1.707 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]2CCC[C@H]21 1301478489 LTAWQCZKTJUGIB-HZPDHXFCSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)C)CC1 1301502838 QHCSIPWGHOHMTC-UHFFFAOYSA-N 418.492 1.980 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCC(CO)CC1 1301509410 HACNJNIQVKXFQP-UHFFFAOYSA-N 413.522 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C)c1 1301584797 DSMLJCRUVLDGMP-KRWDZBQOSA-N 417.535 1.775 30 10 HDEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1303248455 YBQUCZSALCNGGM-CZUORRHYSA-N 418.564 1.719 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)co1 1304271982 PRKPTLPLUDHNDX-SCLBCKFNSA-N 409.464 1.315 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1310076111 HRYUOYLNRQUCOM-MRXNPFEDSA-N 422.551 1.823 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1312697975 MKXORDCASWXCOR-OAQYLSRUSA-N 414.550 1.431 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1315162476 CYARZKPDFSGGPU-OLMNPRSZSA-N 410.478 1.714 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1355812719 LIPUTTRUAGKIOE-QGZVFWFLSA-N 407.474 1.345 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1358869280 FZCJQVYXLSEEMM-QZTJIDSGSA-N 402.543 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1358891141 ZQDGZLAKSRGXOS-JKSUJKDBSA-N 412.519 1.688 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCC(=O)N1CCOCC1 1358895066 BYXMVZIBMRYKRF-GOSISDBHSA-N 411.506 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)CC 1358899055 GHJFCAHIJQQURF-CQSZACIVSA-N 409.487 1.393 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ncccn2)CC1 1358918839 ISCSUNKEMWOUGB-UHFFFAOYSA-N 410.526 1.727 30 10 HDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCC)CC1 1358931486 CNLHRYZKHOHQJH-UHFFFAOYSA-N 408.550 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)NC(C)C 1358974171 TXVMFRZQRDIDFV-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(O)CCOCC1 1359022167 PIZJOFHJEHPOBN-UHFFFAOYSA-N 400.479 1.581 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2cc(C)cn2)CC1 1359038933 QMGVOPJNGWVULY-UHFFFAOYSA-N 423.496 1.957 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCn2c(C)nc3ccccc32)CC1 1359039375 GHYCATFLKCADEW-UHFFFAOYSA-N 407.522 1.928 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)[C@H](C)CC)CC1 1359039950 BYXNJYIWRRUFPK-FYQPLNBISA-N 419.570 1.818 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1359270336 LKNGYXBVLKQTFQ-UHFFFAOYSA-N 417.535 1.767 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359287524 IFNUMIKZVQIZGK-GOEBONIOSA-N 406.512 1.161 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359296489 KZZVMNPZZOBFBC-UHFFFAOYSA-N 408.506 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359298203 QRQINUWFCWGJMK-KKSFZXQISA-N 412.494 1.417 30 10 HDEE N#C[C@]1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCCOC1 1436147511 WKNGMTVZONVOKS-DYESRHJHSA-N 403.454 1.280 30 10 HDEE O=C(NCC#CCO)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1448438961 PGIZAJMUKZESSB-UHFFFAOYSA-N 403.158 1.774 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cn(C)cn1 1451048764 BCDVNUADYGPYOP-INIZCTEOSA-N 403.508 1.232 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1c(F)cc(C#N)cc1F)C1CCCC1 1451217509 GFOAREQGUYFBBC-HNNXBMFYSA-N 400.451 1.521 30 10 HDEE C=CC1(CC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1455496140 QAOKQCOYBIDAGY-CQSZACIVSA-N 401.529 1.197 30 10 HDEE COc1cc(CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)ccc1C#N 1459858146 VSMKVZGBFLXTGS-AWEZNQCLSA-N 405.501 1.784 30 10 HDEE CC[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1469415259 KUIVWJLNJKRVBY-OAHLLOKOSA-N 407.492 1.274 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)C1 1469729571 MYWDXVSCXWJIAL-VGWMRTNUSA-N 424.498 1.307 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(C(F)(F)F)nc1 1470072692 PKNVJTHGNCJOEO-SNVBAGLBSA-N 413.381 1.350 30 10 HDEE C[C@@H](CC1(C#N)CCOCC1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1474455465 BERCDXITZXJUDW-HNNXBMFYSA-N 421.519 1.519 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 1477002769 NBZQHRSLSJGTKM-UHFFFAOYSA-N 423.477 1.005 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1503424594 GMUQUFSQOCNPCW-HNNXBMFYSA-N 412.475 1.400 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1505126541 JDAUYOIVAUUTQZ-UHFFFAOYSA-N 400.464 1.800 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507592122 PYTPZNROUWXJFM-ROUUACIJSA-N 401.511 1.413 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1507623892 YUNDUFCVXRYSLZ-IRXDYDNUSA-N 416.551 1.487 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NCC 1507661550 ZAYLGYGWGUQZTG-QFIPXVFZSA-N 415.538 1.555 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1507711406 UQXGHPGFHKTMNK-GOSISDBHSA-N 419.570 1.757 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(NC(N)=O)cc2)CC1 1507733663 HLOOAYQYIRFABC-UHFFFAOYSA-N 423.521 1.906 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507788489 PVCOVHDKJLBOPV-SFHVURJKSA-N 417.311 1.889 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1507956885 HYHARYHBSGSZFB-QGZVFWFLSA-N 418.542 1.600 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCc2c(ccnc2O)C1 1508082579 UTWRGEQFLZHVAY-UHFFFAOYSA-N 420.473 1.919 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1508099442 XPCVBGUARXYHSE-KRWDZBQOSA-N 422.533 1.717 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C1 1508112520 PUCDFZIIDCLAQC-OAHLLOKOSA-N 406.512 1.061 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1508141820 OVCBFPTXWNSROX-ULQDDVLXSA-N 421.567 1.847 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C)C1 1508149037 NXHWUJADWFYAGE-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508424499 MRVYPSISJONJAF-OWCLPIDISA-N 410.544 1.049 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1525110231 VOTRJXJQPOKRRI-HNNXBMFYSA-N 404.444 1.440 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(Br)c(C#N)c2C)C1=O 1529593349 ZRCNMTLZNLEEJK-LLVKDONJSA-N 408.252 1.979 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1534973857 VNQITHKIKIEBDI-MAUKXSAKSA-N 422.503 1.852 30 10 HDEE CC1CCN(C(=S)SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1537006163 RQCRHSQOTRRILG-XJKSGUPXSA-N 401.579 1.133 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)CC2)c1 1537813469 GJLKRLGKAZBKDJ-DLBZAZTESA-N 408.424 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1539014163 LFPHLROWRVISJW-HUUCEWRRSA-N 415.585 1.211 30 10 HDEE N#C[C@]12CN(C(=O)C(=O)c3ccc(Br)s3)C[C@H]1CS(=O)(=O)C2 1539118229 IZRHHYKXMQMEKD-ISVAXAHUSA-N 403.279 1.090 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC)cc1)[C@H]1CCS(=O)(=O)C1 1539219924 OOYKWLCWDAKISB-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539231774 YBGZLWPEDVMFFC-SFHVURJKSA-N 416.547 1.461 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCO 1539257925 PBNVWGAIKNNFBG-UHFFFAOYSA-N 404.474 1.427 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)CC1 1539828398 JQBYUDCTVGSBRP-CVEARBPZSA-N 419.555 1.819 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540019577 KDRSSQYLXIHLGH-GASCZTMLSA-N 400.439 1.080 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1540140467 WMCZZGVIONIWEU-CYBMUJFWSA-N 413.569 1.913 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CCCOc2ccc(C#N)cc2OC)C[C@@H]1C(=O)OC 1540169026 RBVDPTSPNIAMSI-GJZGRUSLSA-N 404.419 1.146 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1540865388 DTFSNGYYNRLYNX-UHFFFAOYSA-N 408.462 1.508 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1541678641 FXGXFXGKHIHSAB-JKSUJKDBSA-N 403.531 1.265 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1554304028 XJEFBGXWDHSATK-KRWDZBQOSA-N 416.507 1.147 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N(C)C 1555556671 GLKVTSCRRBMOBX-OAHLLOKOSA-N 424.509 1.910 30 10 HDEE C#CC[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1556971063 PQQVUJWPJRMDQY-LBPRGKRZSA-N 409.236 1.246 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 1558109896 DNCQHANSWCLTQX-LLVKDONJSA-N 413.219 1.324 30 10 HDEE C[C@@H](CC(=O)N1CCC(c2ccn(C)n2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1558418068 AQFMASVHODDRJZ-AWEZNQCLSA-N 415.519 1.643 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1566409724 KUDVBRUEWDHBBT-LSDHHAIUSA-N 415.556 1.634 30 10 HDEE C=CCOC[C@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC 1568154631 NDUFDCXWUXYTCR-KRWDZBQOSA-N 410.492 1.020 30 10 HDEE COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cnc(C#N)n2)c1 1586934791 BQLUFQWSDZYHEO-MRXNPFEDSA-N 400.439 1.541 30 10 HDEE C[C@]1(c2ccc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)cc2)NC(=O)NC1=O 1587187464 WLDVSHKLXBFQMN-FGZHOGPDSA-N 403.442 1.834 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cnn1CCC#N 1587451664 CWZYJCYKBSNRNU-IRXDYDNUSA-N 400.527 1.368 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCn2ccc3cc(Cl)ccc32)CC1 1588199231 JXXFWWOVVAOAET-UHFFFAOYSA-N 422.938 1.687 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1588619645 AFSPVRXKSGFMKH-INIZCTEOSA-N 403.508 1.393 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1588765416 GSEMYKGMAURSMC-IAGOWNOFSA-N 420.531 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588811328 GOMGHSKZLVCFES-DLBZAZTESA-N 400.527 1.190 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1594793141 HAZVGBHGMZYWDX-SFHVURJKSA-N 410.478 1.361 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1595500642 AEXPVTOTJMONBG-DOTOQJQBSA-N 414.510 1.306 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1603131209 PEHSCZUTBHCMQJ-LJQANCHMSA-N 410.356 1.919 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCn2ccnc2C1 1611331153 IIUJAXBNGJEGSX-WBVHZDCISA-N 418.505 1.976 30 10 HDEE CSC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1611534388 VHFSQSSECSWJNA-BRWVUGGUSA-N 420.531 1.758 30 10 HDEE CCN(CC1CCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1615545012 QYKQKROAQPTIDY-IGGDJGDASA-N 414.510 1.935 30 10 HDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCS(=O)(=O)Cc2ccccc2)N(C)[C@@H]1C 1615629202 GZHSMDIYMAERAA-KRCADRSESA-N 412.533 1.873 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1615729562 MSLABFLKAKXPCO-OXJNMPFZSA-N 400.458 1.844 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCO1 1617896284 YGTKNZHSELQZPC-GOSISDBHSA-N 419.279 1.661 30 10 HDEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1617910866 OAXDETCNSVVOEN-UHFFFAOYSA-N 424.519 1.583 30 10 HDEE Cc1nnc(S)n1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1618107721 NAYOPSFFNYHHLE-LBPRGKRZSA-N 404.883 1.570 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccc(C)o1 1618841158 AKZHESRVUBOOOE-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1619615934 MORDHUNMYXRQKA-GOSISDBHSA-N 402.474 1.570 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1620025838 SRQKATLFMVJGEE-ZFWWWQNUSA-N 409.878 1.281 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)C2CCC2)CCO1 1620354550 ADOZBSNFOUDXPQ-GOSISDBHSA-N 409.494 1.299 30 10 HDEE COCCOCCc1ncc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[nH]1 1624577181 LAQXPKVOZMSZRY-LJQANCHMSA-N 415.469 1.777 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(CS(C)(=O)=O)cc2)c1 1625249602 XURXEOQCSMXFDH-UHFFFAOYSA-N 419.524 1.958 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2csc(NC3(C)CCCC3)n2)CC1 1626966370 AOMHXPYFWPYAHT-UHFFFAOYSA-N 403.552 1.324 30 10 HDEE CCC(C#N)(CC)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1628333262 IANQMCXBYPEFOJ-UHFFFAOYSA-N 424.479 1.766 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1628924288 MBMOZOJCWBNEEW-KRWDZBQOSA-N 423.535 1.659 30 10 HDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)CN1CCOCC1 1629747676 WZRKDDCDPDNAGM-UHFFFAOYSA-N 422.551 1.075 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)[C@H]1c1cccnc1 1629976226 CJAPNUYSVQTLCU-RTWAWAEBSA-N 405.458 1.653 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccnc(S(N)(=O)=O)c2)cc1 1631137408 RITGNTIDNUWOFY-UHFFFAOYSA-N 400.460 1.796 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cccn2ncc(Br)c12 1631463717 PKZZEXOEFRMJCD-UHFFFAOYSA-N 406.284 1.785 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CN1C(=O)OC(C)(C)C 1635070737 VTAULZXIIMPIPB-WTIFFKHKSA-N 406.483 1.807 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1635439857 ZLWYRLFRQGYFBH-JGTBNHKDSA-N 421.500 1.917 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCc3c(nc(C)n3CCO)C2)CN(C(=O)OC(C)(C)C)C1 1636197166 PTAHVVXJCJRFNJ-INIZCTEOSA-N 418.538 1.971 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1636627276 JOUOOMVTJANOKB-OAHLLOKOSA-N 404.463 1.969 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1636852359 NQOHSFWLYKTGKS-WBVHZDCISA-N 409.324 1.823 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C(F)(F)c1ccccc1C#N)C1CCCC1 1638887403 LCTVGPFQXGCCBW-INIZCTEOSA-N 414.478 1.721 30 10 HDEE C#CC[C@]1(C(=O)N2CC(N3CCN(CC)CC3)C2)CCCN1C(=O)OC(C)(C)C 1639295637 AWCOFDSVPVXTRA-JOCHJYFZSA-N 404.555 1.628 30 10 HDEE COC(=O)C1(CCCCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCC1 1640072879 KHHQTRZVISMTOR-UHFFFAOYSA-N 407.492 1.466 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)c1 1640816021 YNCQSGTXYWTAJS-MAUKXSAKSA-N 413.503 1.752 30 10 HDEE C#C[C@H](CO)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1641574980 UVCGVPJLJZCGRM-QGZVFWFLSA-N 406.891 1.641 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C(=O)OCC)CCCOC2)c1 1641719425 TXBJBRLXGUWIEA-LJQANCHMSA-N 410.492 1.241 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)C(OC)OC)CC1 1643769090 YGLDZPMZGWRDIM-INIZCTEOSA-N 418.494 1.093 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CSc2ncc(CCO)cn2)CC1 1644176121 GXGNQXXMLGSAJQ-OAHLLOKOSA-N 403.533 1.574 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CSC1 1645212614 URXGZNSEIQIQSQ-HNNXBMFYSA-N 420.512 1.201 30 10 HDEE C=C(CO)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1645880922 SAGWPADYHANJHB-UHFFFAOYSA-N 413.515 1.851 30 10 HDEE C#C[C@H]1COCCN1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1646113066 XMBMLGQCLULRNE-SFHVURJKSA-N 417.531 1.084 30 10 HDEE C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1648415850 QEGWNZJLOMZLNC-TYILLQQXSA-N 418.544 1.513 30 10 HDEE NC(=O)c1cn(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc12 1651220979 JRFPJOGZLVLSPP-UHFFFAOYSA-N 420.425 1.644 30 10 HDEE N#Cc1cnccc1CN1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1652390352 VAZLPRYNLNHQLD-UHFFFAOYSA-N 414.487 1.621 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCOc3ccccc3Br)C2)c(=O)nc1O 1653759797 JMDCLSBJEZRFGJ-UHFFFAOYSA-N 419.235 1.435 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1655200380 WIGHLYIORBCWNT-VGOFRKELSA-N 414.554 1.936 30 10 HDEE CCOC(=O)c1ncn(C2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1N 1658240416 DDOARJSSENAFIG-SFHVURJKSA-N 422.489 1.956 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccccn3)c2)CC1 1659538290 BQSBFXIAOLJCCT-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE CN(C)c1noc(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 1662873587 DFVAPVCJORKKMX-UHFFFAOYSA-N 404.221 1.387 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OCC 1663904941 GMKGVAUHXVSZCP-CYBMUJFWSA-N 408.473 1.373 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(I)cc1)C1CCOCC1 1664580169 RSVPCBBHPHCZLB-AWEZNQCLSA-N 405.257 1.998 30 10 HDEE C[C@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1670796366 YFQDITNHOLKYDO-OXFYSEKESA-N 417.535 1.187 30 10 HDEE CSc1ccc(CNC(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cc1C#N 1685179660 AWFGSZLOVIEEIQ-UHFFFAOYSA-N 403.508 1.160 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN(c2ccccc2C#N)CC1 1687235519 GZSWMAHIKLSSJW-KRWDZBQOSA-N 405.524 1.250 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1687593221 LPVXJOBPLREMMB-IBGZPJMESA-N 418.563 1.417 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1689973904 UWWXVOMEKQGONB-GOSISDBHSA-N 421.295 1.840 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1690046489 CBUOSXPBQMNYCA-LJQANCHMSA-N 423.492 1.743 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnccc2OC)CC1 1690145928 BBRAYAVSTXSOEU-KRWDZBQOSA-N 424.505 1.200 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1690432776 LJWMHMPISAPLIQ-UZLBHIALSA-N 424.567 1.778 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1690624199 JGTPCOKUYCDXEK-GOSISDBHSA-N 400.545 1.055 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1690673687 AGHVPCYLARWQGF-SFHVURJKSA-N 421.505 1.367 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1691477535 VBTGNYOFOCCEQQ-QGZVFWFLSA-N 409.494 1.291 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1694995918 LQFKKGPTXAEXSS-PCLVQLBSSA-N 412.491 1.019 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCCCC2)CC1=O 1696879955 BKEVEYKGAYWTQM-UHFFFAOYSA-N 421.505 1.498 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCCN(C)S(=O)(=O)CC 1705490683 OSIGAZODXRYYKQ-MRXNPFEDSA-N 404.540 1.778 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705524536 NZKPEURZFOXFRM-HOTGVXAUSA-N 424.571 1.187 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705528983 ZICDPMOSWQGIMR-UHFFFAOYSA-N 412.519 1.748 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CCC1 1705575054 WTFAAGLFPFZYMD-PBBNMVCDSA-N 418.563 1.693 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1705578081 FSGSWQLHYSDVQE-OAQYLSRUSA-N 412.515 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCn1cc([C@@H]2CCOC2)cn1 1705579374 KIQLESLBYIGIMT-LJQANCHMSA-N 401.474 1.814 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCN(CC)S(C)(=O)=O 1705579588 NQBNLYRLAJOTAZ-UHFFFAOYSA-N 400.508 1.085 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)C 1705676663 KEPRFELSZHKYLX-LJQANCHMSA-N 400.508 1.350 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705735662 VJJGIHFYTIMFGO-ZWKOTPCHSA-N 407.515 1.106 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705841416 ALLUCGNIPUKFCP-CABCVRRESA-N 411.514 1.352 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(CO)CC1 1705904650 ULJAVSUQOPHSEJ-GOSISDBHSA-N 413.478 1.302 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1706072253 BAIMIQYPOIYTBC-GOEBONIOSA-N 401.515 1.664 30 10 HDEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1706652743 FKXYZWQMTBHXGI-UHFFFAOYSA-N 405.510 1.960 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)cs1 1707761327 MXOBOOZCMFSNPN-QGZVFWFLSA-N 412.523 1.729 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)n1 1707832777 HERPFJHBFNOYKJ-UWJYYQICSA-N 413.526 1.810 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1709784249 AZPIACMHQPTCOE-BRWVUGGUSA-N 401.515 1.222 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1 1711425092 ZOQLUFUYIRUAME-QGZVFWFLSA-N 408.553 1.610 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1711916442 FRMDLFXNNJAXNX-WMLDXEAASA-N 417.491 1.117 30 10 HDEE COCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712616531 ZHORRASNLDPKNN-KRWDZBQOSA-N 400.483 1.686 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722290848 BKXFTQOSPRLCMD-NVXWUHKLSA-N 417.535 1.586 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722295535 LERGPXFUMCKWGO-LNLFQRSKSA-N 410.522 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1722296940 WEDDABWSAPTIFR-PMUMKWKESA-N 408.549 1.607 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOc1ncccc1F 1722346742 AIRUCNSORRGVLZ-UHFFFAOYSA-N 419.424 1.603 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1722421284 KMUHZVYMGSIWPB-RTWAWAEBSA-N 422.526 1.210 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC=C 1722423807 PTLRBVPDXYVUJA-UHFFFAOYSA-N 404.474 1.882 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2nnc(C)s2)CC1 1722437080 PHSGEMKBJZYWCK-QGZVFWFLSA-N 415.567 1.720 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1722498681 CLMYANGSZGUDHV-ZWOKBUDYSA-N 424.567 1.480 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1722697423 JQLMMMANTILSBJ-AAEUAGOBSA-N 413.404 1.137 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722727215 MWQLRBVBVBZCOS-JXFKEZNVSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722740944 WIVPXIQLWFTMNR-IAGOWNOFSA-N 420.583 1.307 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1722795874 FIDBDDFFLGUKDU-KRWDZBQOSA-N 410.526 1.024 30 10 HDEE CC(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722855662 ZJUFNSYBVFWLRN-AWEZNQCLSA-N 409.498 1.058 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCCO 1724672417 JTBQEAIDYAHSLP-NRFANRHFSA-N 424.549 1.753 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H](F)COC)CCOC1 1728819966 ZIXAJYHVMHNYHM-WRWLIDTKSA-N 422.505 1.091 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCCNS(C)(=O)=O 1729399295 PUSUSYDXOKKGRQ-QGZVFWFLSA-N 418.523 1.577 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc(NC(C)=O)nc1 1730764485 RJXIVHIPBVTXAR-QGZVFWFLSA-N 413.482 1.898 30 10 HDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1731046590 AILJVPDQPJVFDB-HIFRSBDPSA-N 400.508 1.792 30 10 HDEE C#CCCCC(=O)NC[C@@H]1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CO1 1734981539 ICHJWMAHCXRSPI-SIFVSHMBSA-N 400.519 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740550727 RCXOEGKDSKYROC-IHPCNDPISA-N 422.533 1.761 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740561114 WXQFQIOQTSOXHV-UTKZUKDTSA-N 416.547 1.461 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(C)CN(C)C1=O 1740687752 GLERYPHCIUACMZ-QHCPKHFHSA-N 420.517 1.845 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O 1740716841 BIEYIQLANHHXSL-YOEHRIQHSA-N 415.519 1.857 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1740731625 YHLAJWLGYQRBJA-IFXJQAMLSA-N 418.523 1.360 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740781636 RIUOFJXETDDWBQ-QGZVFWFLSA-N 408.506 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1740985695 KHOCCCPUNIQOQN-ZSHCYNCHSA-N 407.540 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCN(CCC)C(=O)C2)nnc1C(C)(C)C 1740994004 LUYPYIOKCQVDSN-UHFFFAOYSA-N 411.572 1.625 30 10 HDEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1)N(C)C 1741843974 DDIOVLPBPUXONT-HNNXBMFYSA-N 420.521 1.882 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1748107866 YDRGVZBPOFNTHK-VFNWGFHPSA-N 412.494 1.441 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1748799352 PZXJSYQJNNCGKK-UHFFFAOYSA-N 402.462 1.504 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1748820551 DQVVCHYFBFYZAL-MRXNPFEDSA-N 419.551 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(C)(C)C(=O)NC 1748824502 DOTJYQINTGKCGO-UHFFFAOYSA-N 420.517 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748851888 QPADACYKDBXIEK-MOPGFXCFSA-N 415.563 1.508 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)N2CCOCC2)CC1 1748994382 ZOIKZVMSBAITCV-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749020455 SYNGKAGVKUZDPT-UZLBHIALSA-N 419.551 1.265 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749664480 OQGXGALYXALHHA-GOSISDBHSA-N 410.522 1.860 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749672568 YLEURXZNGFRWHI-HNNXBMFYSA-N 417.514 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749730485 FZMDWHBPDRWEFL-LSDHHAIUSA-N 409.512 1.114 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1749832814 WODNQKXWJOKEAT-QZTJIDSGSA-N 404.515 1.755 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1751176249 AUKQJLFKHOGWDR-LBPRGKRZSA-N 403.468 1.061 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1760095489 QLXHCSRHYDTHNE-OAHLLOKOSA-N 412.494 1.400 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1ccccc1F 1760163395 URRYISMMANPTQG-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1760203568 IXFLIWKFFGAYLF-GOSISDBHSA-N 414.487 1.298 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CCC(CC1)C2 1760242984 UAELCYCCJGUYES-LYGPFTKASA-N 409.556 1.555 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760364860 DUAGHUOJLHAPKE-CHWSQXEVSA-N 403.936 1.524 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCCCC1 1760516959 YSTGDDFJWKKRRZ-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760522425 SUFJZJJWYLAGBK-HRAATJIYSA-N 405.543 1.943 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1760696667 SGUMIFQEFPGDKJ-MVZUJROASA-N 420.477 1.386 30 10 HDEE Cc1cc(C)n(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)n1 1762473229 HRACXQPFELKGRR-WMLDXEAASA-N 419.555 1.680 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCOC1 1768578198 PELHLZJMYVHZHN-NZSAHSFTSA-N 413.478 1.494 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1770013976 DSOOHOMPOFHXNA-AHRSYUTCSA-N 406.531 1.199 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1771112733 WNLMYKQGAJHVKF-DYESRHJHSA-N 416.526 1.897 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CCCNC(=O)Cc2cc3c(cc2C#N)OCO3)C1 1851723936 XGQAZBFMSBGIEV-OAHLLOKOSA-N 401.463 1.611 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ncc(Br)nc2Br)CC1=O 1851919629 CKGJFFWMUMUHRW-ZETCQYMHSA-N 404.062 1.975 30 10 HDEE Cc1ccc(OCCN2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)nn1 1852368029 IDTODAUVUIZFIT-UHFFFAOYSA-N 420.477 1.153 30 10 HDEE COc1ccc(OC)c(C(=O)COCCN2CCN(c3ncccc3C#N)CC2)c1 1852789384 IYMJADFPYRUUAX-UHFFFAOYSA-N 410.474 1.992 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccccc1F 1852836589 XTDCDOVBFLLNOL-HNNXBMFYSA-N 414.528 1.848 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCOCC2)c2ccc(C)n2C)CC1 1853417562 FLTOGBFSQAAYFR-UHFFFAOYSA-N 410.540 1.372 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1853729492 QQGDUNUURPDFCJ-JKSUJKDBSA-N 401.463 1.114 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CCC3=O)c2n1 1853747424 VCGAJHCFHJJFMD-KRWDZBQOSA-N 407.474 1.617 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@H]1C 1854312595 NQOHQCWTAFBODY-SJORKVTESA-N 405.520 1.333 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854515463 FKJFSKRLOAUKTC-UHFFFAOYSA-N 411.430 1.742 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1854639047 VYJUEGINSILGKJ-HOTGVXAUSA-N 402.520 1.443 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)Cc3noc4ccc(Cl)cc34)C(=O)C2)C1 1855019343 NNSLIRJNGHUGKV-HNNXBMFYSA-N 415.881 1.682 30 10 HDEE C=CCC[C@@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 1855301418 PCEKNNXSHRXVLP-OCCSQVGLSA-N 408.480 1.727 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)CCCOc3ccccc3)C2=O)CC1=O 1855637253 YQQNTASWHJDUQL-AZUAARDMSA-N 413.518 1.939 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)CCC(F)(F)F)C2)CC1 1855873057 OODUSGSOWLZADS-AWEZNQCLSA-N 409.412 1.793 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C(=O)CCN(CCCC#N)c2ccccc21 1856045187 WLPZVGOVTFUDTH-SFHVURJKSA-N 418.519 1.874 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(S(=O)(=O)Cc3ccccc3)CC2)CC1=O 1856131180 YMKXFFXQPURTJW-KRWDZBQOSA-N 403.504 1.355 30 10 HDEE CN1CCN(C2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)C1=O 1856142743 YQTRDKURZMZIJU-KRWDZBQOSA-N 409.490 1.379 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)CCc3scnc3C)CC2=O)CC1=O 1856143817 ADOYNDJUPZUISC-JKSUJKDBSA-N 404.536 1.335 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042137 SEYFMJRCRCUZBV-NVXWUHKLSA-N 419.503 1.394 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3conc3C3CC3)C2=O)CC1 1857070192 JJZYDIDLQMEFRL-KRWDZBQOSA-N 406.446 1.382 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857298434 BMXMVPVRWYPHOX-KXBFYZLASA-N 407.474 1.337 30 10 HDEE C=CCNC(=O)[C@H](CCCC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516770 OQHWAJPMGJYRJL-SFHVURJKSA-N 415.490 1.910 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cc(OC)cc(OC)c3)CC2)CC1=O 1872917900 NHTPMUHQNWCBDX-INIZCTEOSA-N 415.490 1.915 30 10 HDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873562369 ZYOHRKOWWQFIRE-UHFFFAOYSA-N 411.554 1.537 30 10 HDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)ccc1OC(C)C 1874432493 IWSDILOYQLNYGU-ODCIPOBUSA-N 420.495 1.170 30 10 HDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc(Cl)c1O 1874435762 WFCOTNWWNJNXGQ-UFWORHAWSA-N 413.887 1.639 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)nn2)cc1 1889934080 OYLXSAYRTDDOAC-GOSISDBHSA-N 404.430 1.895 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)Cn3nc(-c4cccs4)ccc3=O)C2)c1 1890574880 YXCJMMFEUQOEHQ-HNNXBMFYSA-N 407.455 1.918 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 1891592279 STSCLHQXEWQBMC-UHFFFAOYSA-N 413.381 1.756 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174783622 FAQMWGWVQGMURZ-WMLDXEAASA-N 402.517 1.082 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(C(=O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)C1 2181004605 LQVRCWLICMEUHS-ILXRZTDVSA-N 402.513 1.237 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 2183270674 IOCQOCYGGXZFMP-KBPBESRZSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2183272427 SWYCJPZUOXSTKX-LSDHHAIUSA-N 415.899 1.860 30 10 HDEE Cc1nn(C)c(C(=O)NCCN(C)C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247823775 RHHCFRDUSDPABR-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828453 NWZLYTKZNRYQOB-YJBOKZPZSA-N 410.327 1.959 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247861883 QUWKHUPQOGXPJP-KRWDZBQOSA-N 415.221 1.597 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255647920 FWDVVDOFVMEKPN-SJLPKXTDSA-N 424.354 1.970 30 10 HDEE CO[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CSC 2267468455 VRROXBUPNXEIJM-LLVKDONJSA-N 407.388 1.704 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281976559 CXZOUKXCGSVGEX-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4COC[C@@H]4C3)cc2Cl)OC1(C)C 2282316560 FBTQPFINDNRQTJ-QWRGUYRKSA-N 419.761 1.968 30 10 HDEE COC1(OC)CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333583 QJTIRGXCMBYHEA-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CC(C)[C@@H]1CNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337065 IYSWZWYGACCJJU-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2COCCO2)OC1(C)C 2282501737 BBTRYGKCEULSPA-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(C)CCCCN2)OC1(C)C 2282509050 FJWNZQKJVOOEKR-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@H]3CNCCO3)c2Cl)OC1(C)C 2282654261 JEZDBSMHDJUMHN-NSHDSACASA-N 400.737 1.809 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H]3CN)c(Cl)c2)OC1(C)C 2282827063 WKZLHGDITGLGKF-SMDDNHRTSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@]4(O)C[C@@H]4C3)cc2Cl)OC1(C)C 2282827717 CFEGVOLOFXSCHX-HWPZZCPQSA-N 419.761 1.846 30 10 HDEE CNC[C@@H]1CCCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282835817 YOCNXFPJVSNOEF-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCS[C@@H]3CC[C@H]32)OC1(C)C 2282847093 UBQRKWNVJRJIDM-CHWSQXEVSA-N 416.399 1.852 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCS[C@H]3CC[C@@H]32)OC1(C)C 2282847096 UBQRKWNVJRJIDM-STQMWFEESA-N 416.399 1.852 30 10 HDEE C[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284398283 WFZBPDQQDIHSRV-CMPLNLGQSA-N 401.315 1.425 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284399897 PLXLHWMWGLXALU-SNVBAGLBSA-N 403.331 1.745 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@@H]3C(=O)O)s2)OC1(C)C 2284410469 BXMHVWVXNHBCOL-MNOVXSKESA-N 401.315 1.436 30 10 HDEE CCC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411674 NGNARQDIRFHLDW-GFCCVEGCSA-N 403.331 1.720 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288894552 JJGOMBFOEZZEKC-KBPBESRZSA-N 401.359 1.722 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300231251 UYYYLFDYXFXNFJ-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2301660160 BGTCZANDBRFVJW-AWEZNQCLSA-N 424.303 1.848 30 10 HDEE Cn1cc(C#N)c(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)n1 2338910562 GRRDPGNUOVVONA-UHFFFAOYSA-N 415.475 1.890 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351707538 IQDWNEOYRVFWAI-AWEZNQCLSA-N 402.582 1.898 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360571400 GXVGMMAKGIZOFH-NSHDSACASA-N 401.230 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365171737 NRMUGWSFRFQIAD-IBGZPJMESA-N 401.525 1.924 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)N2CC[C@H]1C2 2368655669 ILKCNUQHYSMAOT-QWHCGFSZSA-N 412.537 1.592 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H]2CNC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2369654674 OMEGTARGXQOHTJ-VXGBXAGGSA-N 404.338 1.286 30 10 HDEE CO[C@H]1COCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2379677371 KAYNXBRPOSDSTD-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCCN(Cc2ccc(C#N)cc2)CC1 24825409 FIGCMCMRLXJIQU-AWEZNQCLSA-N 411.428 1.843 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 64765856 NODVDCGLLIVILY-INIZCTEOSA-N 411.412 1.933 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccnc2)/C1=C(/O)c1ccncc1 102755940 WKZWWRODKCKGHT-LAFOYAEKSA-N 408.458 1.621 30 10 HDEE Oc1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1O 254617230 PQVJKQYWNAZHTI-UHFFFAOYSA-N 400.439 1.007 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 409478492 MUXAGHKQXOGKSZ-FUEDEBDSSA-N 402.879 1.677 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCc2cccc(Br)c2C1 409506241 BMKOOOFRBOMHDS-UHFFFAOYSA-N 402.314 1.914 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 409699985 IWAVMKSMHFUYOA-MFKMUULPSA-N 408.340 1.531 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 430388491 POJFSTGUBACVFP-YJBOKZPZSA-N 403.479 1.406 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 434069252 VXLCNRZMOZPWPT-UONOGXRCSA-N 400.298 1.249 30 10 HDEE C[C@H]1C[C@@H]1N1C[C@H](Nc2nc(N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)ccc2C#N)CC1=O 436403573 JCMDVYWTYVIJFG-MHMDBQTNSA-N 408.506 1.796 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)cc1 463898975 VQHSLANKCPBXBO-VURPSTOHSA-N 423.469 1.481 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 476569937 AEDJEJFPPSHHOW-QGZVFWFLSA-N 421.457 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(OC)cc2)C(F)(F)F)CC1 482351498 PDCPHKDRRRSWIS-QGZVFWFLSA-N 414.428 1.928 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)NCc1ncccc1S(C)(=O)=O 488578607 ZAXSONNOZDXADM-UHFFFAOYSA-N 404.448 1.704 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 509002424 QIFYDELCBPXDED-QWHCGFSZSA-N 412.541 1.417 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccccc2C(F)(F)F)CC1 524464217 GKTLGGZSCWUXPW-UHFFFAOYSA-N 414.428 1.714 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@H]3C(=O)OC(C)(C)C)CC2)o1 533929675 LNEJFGQUABUOPC-KRWDZBQOSA-N 417.510 1.700 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@H](c2nncn2C2CC2)C1 540477398 CISFTIDWQAXBCD-LBPRGKRZSA-N 402.436 1.961 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1 546610556 ZMJAXUIEUFWHCX-CYBMUJFWSA-N 401.510 1.144 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)nn1 547275918 BHTCPQGEIQGZEF-BFUOFWGJSA-N 405.455 1.490 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)c1C#N 548212759 GESJVHKZPHCWPN-OAHLLOKOSA-N 420.491 1.090 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 553983149 HRLZHVUYVUCZAF-GOSISDBHSA-N 419.551 1.594 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 573734308 VZWDVYMKLSAKRE-UHFFFAOYSA-N 420.477 1.874 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608950613 JQYHKGIABALYKA-HXUWFJFHSA-N 406.490 1.888 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(Oc4ccncc4)C3)C2=O)cc1 609609941 CHRXGGPOCBMJHH-GOSISDBHSA-N 405.414 1.448 30 10 HDEE COC(=O)[C@H]1CCCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 611579714 FKAQNGDUAIDGFY-IAGOWNOFSA-N 412.446 1.707 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 725795831 MOGAYUHTBGVALO-KRWDZBQOSA-N 413.441 1.601 30 10 HDEE N#Cc1c(CCCNC(=O)NCCCN2CCOC2=O)nn(-c2ccccc2)c1N 728397218 FKEGIORJXZQLTM-UHFFFAOYSA-N 411.466 1.400 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1 734294105 CIELGZIRLOVQEA-UHFFFAOYSA-N 411.439 1.634 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 734294759 UQUXYXCWIDQDQH-UHFFFAOYSA-N 410.455 1.850 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295027 NDRDHWOOPYAYSY-UHFFFAOYSA-N 421.434 1.002 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)cn2)C[C@@H](C)O1 735848382 JSTQUFHSLNSVAB-LEXKCHRASA-N 413.478 1.228 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741448818 GNVJTVSPQLTETF-QGZVFWFLSA-N 417.535 1.594 30 10 HDEE C=CCCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 748298867 ZSAPQJKOMCGHBO-UHFFFAOYSA-N 414.549 1.588 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)N3CCC[C@](C)(C#N)C3)ncnc1-2 753169132 IJJRBZYUOVRZJG-MRXNPFEDSA-N 421.303 1.246 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)no2)c1 756884347 VNOBDDBBOKCFSH-CJNGLKHVSA-N 400.439 1.717 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)cc1 763228066 MOQHWPMOYDOKMF-UHFFFAOYSA-N 408.439 1.658 30 10 HDEE C#CCN(C(=O)NCc1ccc(F)cc1Br)[C@@H]1CCS(=O)(=O)C1 774190008 WBAVBWAKEGOQNP-CYBMUJFWSA-N 403.273 1.920 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1)[C@H]1CCS(=O)(=O)C1 774240855 KCMSTTMJGLWAPI-WFASDCNBSA-N 406.439 1.769 30 10 HDEE CC(C)N(CCCOC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)CC(F)(F)F 780621107 XDRMPVWLKONYRF-UHFFFAOYSA-N 421.441 1.931 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)CC1=O 785653627 QUENHISRBHMICD-NSHGMRRFSA-N 413.474 1.648 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786686540 BFTYFJCFDVIZMG-CQSZACIVSA-N 413.496 1.328 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CS(=O)(=O)c2ccc(Cl)cc2)n1 788817823 BPLFSZJVDZBVIB-UHFFFAOYSA-N 409.895 1.619 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)n1 789322429 INTSZOIMQXMULY-IBGZPJMESA-N 410.522 1.097 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)n1 790104299 NGIQCYTUTNEHQO-SREVYHEPSA-N 406.446 1.563 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)CCCN1C(=O)OC(C)(C)C 790847503 XJRYBBZYICRNCO-DNVCBOLYSA-N 415.556 1.872 30 10 HDEE Cc1cc(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C)n1NC(=O)c1ccccc1 798742297 KWUSHYYHIDKKAC-HNNXBMFYSA-N 420.429 1.939 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@@H](C(F)F)C3)n2)c(Cl)c1 802584736 JNYIHVPIMSPELC-CYBMUJFWSA-N 409.780 1.828 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 806121512 FLIWXDNZGYKNRL-CQSZACIVSA-N 424.445 1.712 30 10 HDEE COc1c(O)cccc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 812432071 AYIBLINOOSTLBB-UHFFFAOYSA-N 405.480 1.178 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1 815041569 IFNNPQSQGLWUAC-UHFFFAOYSA-N 405.402 1.106 30 10 HDEE CS(=O)(=O)NN=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 1084104291 IRRBNQWTHMKEHB-UHFFFAOYSA-N 417.491 1.800 30 10 HDEE N#Cc1cccc(C(=O)NCCS(=O)(=O)N2CCSCC2)c1Br 1125906559 BEIPLWKVUCUZDI-UHFFFAOYSA-N 418.338 1.429 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](O)c2cccc(Br)c2)n1 1139834034 UNAUOLRUXIJOOW-QGZVFWFLSA-N 406.280 1.987 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1142655490 FPVGLKHQCOCKPJ-MRXNPFEDSA-N 416.507 1.378 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143652717 PRRKQWLUAXEKPI-DOTOQJQBSA-N 406.504 1.100 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC 1151573845 LZLINPXOMZXWER-SWLSCSKDSA-N 413.883 1.416 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CNS(=O)(=O)c2ccccc2N)C(F)(F)F)c1 1152831564 NIBIAJJJYCGKOU-INIZCTEOSA-N 412.393 1.839 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 1156147344 IHAIRSBUBMPDHQ-UHFFFAOYSA-N 420.517 1.915 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H](NS(=O)(=O)c3cccs3)[C@@H](C)O)cc2n1 1156690841 UBJSIZWJOLNHDA-SJKOYZFVSA-N 420.516 1.950 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)nc1O 1159061171 QLRIXQDBZIDHKA-WSTZPKSXSA-N 421.501 1.628 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](CO)c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1161830814 KCOXXBANTUNRMY-INIZCTEOSA-N 405.451 1.442 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 1163097575 ZSOQXFHVOMZAID-MANSERQUSA-N 402.516 1.587 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@@H]4C=CS(=O)(=O)C4)CC3)n[nH]2)cc1 1165557931 CPPFCXPJXKBARL-INIZCTEOSA-N 411.487 1.545 30 10 HDEE COc1ccccc1[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 1175428521 XVGCHYYICBIEHD-FPOVZHCZSA-N 400.523 1.761 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1211916555 ZGYGRGQRPWBMRX-MSOLQXFVSA-N 414.549 1.873 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1286304809 XTKKUTDWXPEZAJ-OAHLLOKOSA-N 404.540 1.565 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1286361522 QCDKGHXMHBOHGJ-LLVKDONJSA-N 416.429 1.420 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1286386694 GBNAKXDQUSNJLT-LZLYRXPVSA-N 417.535 1.715 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCOCC1 1286457158 HWVLSAPTFNHAEG-OAQYLSRUSA-N 406.527 1.831 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@H](O)C1 1286469626 WJVVRQIJDNXHPU-RTBURBONSA-N 400.527 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H](F)COC)CC1 1286494808 RVYGZCFYGHYENF-GOSISDBHSA-N 405.518 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286551228 GXDPNQFQQSHGQV-QUCCMNQESA-N 402.543 1.312 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286757634 SIRMOEATZLPKKZ-DLBZAZTESA-N 409.556 1.980 30 10 HDEE C=CCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286778286 XVQHBJURXSFORB-BBWFWOEESA-N 418.542 1.756 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1286780839 JDSYDQWBWXMOIX-QGZVFWFLSA-N 414.554 1.836 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1288226006 JZLLLRAMUHKCFN-UWJYYQICSA-N 404.486 1.329 30 10 HDEE COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n(C)n1 1289117263 IXZNOKXEUBBBFQ-UHFFFAOYSA-N 403.464 1.340 30 10 HDEE CCOC(=O)c1csc(N2CCN(C(=O)COc3ccccc3C#N)CC2)n1 1289823006 GVXUIFIHBJBOKW-UHFFFAOYSA-N 400.460 1.919 30 10 HDEE C[C@@H]1C[C@@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1291040363 OYZOSSOROOLYJR-WCVJEAGWSA-N 418.498 1.896 30 10 HDEE Cn1cc(CN2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1 1292888983 YEHSYGDDLONFPD-UHFFFAOYSA-N 415.538 1.715 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@@H]2C[C@@H]2C#N)c1 1293325161 PJAZXOUVUUIUFF-NVXWUHKLSA-N 419.551 1.567 30 10 HDEE CCN(CC)[C@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1295390058 KOEXUGZKYIENDS-DBXWQHBBSA-N 420.558 1.778 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCC(=O)NC 1297695201 COPCPCUTLTZYMV-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1298665899 HXTJVSKYGFKIMJ-HZPDHXFCSA-N 413.455 1.558 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN(C(C)=O)C1 1299206131 HBGGVQHDBXCLHF-GOSISDBHSA-N 423.521 1.648 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1cccc(Br)c1 1299675524 VXXQJBCYBNWJIH-FZMZJTMJSA-N 403.298 1.435 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)nc2nc(O)nc(O)c12 1300019447 XHVSXYNFLJMKIK-OAHLLOKOSA-N 404.430 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1300300047 WBAIAJOJXBRMPN-HOCLYGCPSA-N 405.453 1.549 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1300595626 PJBRITUYZSWWBO-JPYJTQIMSA-N 424.501 1.869 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1300875779 QMAQTPUDLXRRIZ-NVXWUHKLSA-N 423.583 1.746 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1301185494 FOOWDDJKPPOQSI-OAHLLOKOSA-N 422.497 1.623 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301478860 QHUUMPPOAFRDOX-SFHVURJKSA-N 424.549 1.985 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1301554191 YQZSOVWOHOBSNG-JKSUJKDBSA-N 420.539 1.336 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1301569257 ULQYDABKTRZYAR-UHFFFAOYSA-N 423.518 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C)C1 1301596380 NAMSVTLQYBIMSI-IKGGRYGDSA-N 412.556 1.839 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1301735692 CCWRVLBAIJHRJV-CVEARBPZSA-N 417.934 1.582 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2cccc(C#N)c2)cc1 1307309076 GOJVTPQPIICETP-UHFFFAOYSA-N 403.485 1.792 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(OCC(=O)OC)c2)n1 1310198267 HQVNFXVWOVWYMF-UHFFFAOYSA-N 400.435 1.749 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)c2ccc(Cl)s2)CC1 1311995685 AFTCTTPRYNAVKQ-GFCCVEGCSA-N 404.945 1.647 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1313098766 WTIVIFNMCUYXJX-FGTMMUONSA-N 419.526 1.851 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315911659 NFPVSQOVRRJXJN-MEUCICPISA-N 423.477 1.339 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 1354103812 GDWLLENJRJONLN-KGLIPLIRSA-N 408.398 1.778 30 10 HDEE CCOC(=O)c1c(NC(=O)C[C@@H]2CCOC[C@H]2OCC)c(C#N)cn1CCOC 1355035628 FRVVZAOOOHBZPT-GOEBONIOSA-N 407.467 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1358889849 HNKARLIFKOKNEG-YESZJQIVSA-N 407.584 1.759 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1358960938 OUDCGKCNZYOVCZ-DLBZAZTESA-N 417.535 1.859 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C2CC2)N(C)C)CC1 1359044122 WGPSQCBXLXBDRX-LJQANCHMSA-N 409.538 1.579 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359048524 UCMUJFWCJAEESF-SJPCQFCGSA-N 403.552 1.478 30 10 HDEE C#CCSCCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359062417 HQBCYLSGWKSTOO-FUHIMQAGSA-N 408.568 1.892 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1359068849 QTBNWERPZSILHS-LJQANCHMSA-N 417.535 1.215 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1 1359098014 WMOHLHBTNOAQLV-NVXWUHKLSA-N 414.514 1.121 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)[C@@H](C)CC(N)=O 1359296935 ZLTMRPKQIBDOPA-AWEZNQCLSA-N 407.478 1.496 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1359301936 QDODWWKFUWCOGK-CALCHBBNSA-N 403.458 1.160 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCC(CO)CC1 1359304065 KDHAHKHDBFQDOQ-UHFFFAOYSA-N 413.522 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](OC)C(C)(C)C1 1359333757 IQDLFKZFFYNEHB-KRWDZBQOSA-N 419.551 1.726 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)CC1 1360792640 XLBDLYSDFYOGEK-CQSZACIVSA-N 408.453 1.955 30 10 HDEE Cc1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)ncc1C#N 1436239203 NBDNSDLUFFCUAM-ZBFHGGJFSA-N 410.396 1.950 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN3CC(F)(F)C[C@H]3C2)s1 1452340109 QGZNPCBLPOZHAX-LBPRGKRZSA-N 405.492 1.307 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCc1cncc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1456017090 DFPYGXXFHOTUGB-IBGZPJMESA-N 400.460 1.024 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CO)c1ccccc1I 1456986714 MKWNGKAYLYYSER-GJZGRUSLSA-N 416.259 1.912 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)nn1CCC#N 1458445495 CUMDMZRJGXWGNW-CQSZACIVSA-N 404.471 1.512 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 1463259933 DVIRYJXAYVGCAG-LJQANCHMSA-N 400.456 1.769 30 10 HDEE C#CCN(CC(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)C(=O)OC(C)(C)C 1465438980 YLTPTSIJCDGKDS-OAHLLOKOSA-N 424.523 1.668 30 10 HDEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1 1470588910 NVAPGELGNVSTDO-AWEZNQCLSA-N 418.441 1.322 30 10 HDEE N#Cc1cn(C2CN(C(=O)CSc3ccccc3Br)C2)c(=O)nc1O 1472370336 DVEGTWLIBRMHPD-UHFFFAOYSA-N 421.276 1.759 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OC 1475685336 CAIUBDWIWRXGMN-LLVKDONJSA-N 400.409 1.542 30 10 HDEE COC(=O)[C@@H]1C[C@@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1479302252 CTTNNDHWMUBSMI-IAGOWNOFSA-N 408.462 1.589 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1493168353 DDPGRJPXGCIDKD-OYHNWAKOSA-N 420.473 1.984 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1502337176 CNAQKIVTHLIBFI-ROUUACIJSA-N 418.590 1.428 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507554053 KVJIAVBGRMFVDR-GOSISDBHSA-N 416.570 1.909 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1507643526 WLHJONWNRCITMS-DZGCQCFKSA-N 420.564 1.530 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCO[C@H]1C 1507676875 RHRHNPZNYMAHBO-JTSKRJEESA-N 412.465 1.999 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1507730895 XVJCSABTHNZWKQ-UHFFFAOYSA-N 423.565 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1507771542 BGIKQYRYYXWCKL-TWOQFEAHSA-N 405.568 1.655 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC)CC1 1507881196 PVDYKBOTPUFRMZ-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1507914867 PLQRGNQZJZTQPO-CQSZACIVSA-N 424.571 1.302 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCO1 1508379993 SZKANIGLJUXTAO-MAUKXSAKSA-N 414.466 1.026 30 10 HDEE CCOCc1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1516490096 OCMXEODVTLIAAE-NERIXLHVSA-N 400.483 1.433 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N(C)C 1519166027 DTCGGTOLTULZJR-UHFFFAOYSA-N 405.890 1.838 30 10 HDEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CCN(C)CC1 1519882808 BXWXJFZHFWJZMZ-HNNXBMFYSA-N 407.588 1.982 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCNc2ccccn2)C1 1521069243 GSESSFWEMQWDGY-HXUWFJFHSA-N 412.473 1.740 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)nn1 1529264470 AMWKDAGRTFCPEP-INIZCTEOSA-N 413.478 1.189 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1531928184 MFQHOZKYNJHTAL-OAHLLOKOSA-N 401.916 1.514 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCc3cc(C(=O)OC)ccc32)C1=O 1534119243 HCOMPUGDOQXXBK-HNNXBMFYSA-N 400.387 1.371 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1539021783 LBTPRSYIDKYZEG-IBGZPJMESA-N 409.582 1.995 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539142398 POFYBWRHQKXJBY-QGZVFWFLSA-N 409.494 1.364 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539154945 PGGGBBMSHCYHMO-MRXNPFEDSA-N 418.479 1.347 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539205352 GZWBAMSWRYEBTB-FUHWJXTLSA-N 402.520 1.989 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539216714 WIJCMUFIQOFEPM-IBGZPJMESA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230329 LVUKAOOTFIMDTH-JLSDUUJJSA-N 416.551 1.422 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC(OC)CC1 1539232018 YHCFCVKZHVAZFH-UHFFFAOYSA-N 414.554 1.379 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1539362218 SRHINSMPLZYQPH-UHFFFAOYSA-N 420.473 1.918 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1539447494 SSPRJNSKAMIPAH-IBGZPJMESA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539513289 MFOPPYUATBPASB-KGLIPLIRSA-N 408.553 1.359 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1540421953 AWXQMELFCUGKJK-JKSUJKDBSA-N 408.499 1.423 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540908151 QJYJIUHLHYEWJN-QGZVFWFLSA-N 422.599 1.637 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1541699335 QITGKYUSYWCKFV-CVEARBPZSA-N 410.434 1.455 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1541988949 CPSSMDYHAOFZJF-UTKZUKDTSA-N 416.526 1.899 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978668 VAHWRLPWLYTCHT-BHSBTHLLSA-N 404.467 1.132 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)nc1 1543449996 PXJFBRDOYZYOJK-SFHVURJKSA-N 409.446 1.519 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)COC 1548169102 CFYQAYLERLGYFW-HNNXBMFYSA-N 416.530 1.337 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1=O 1554352848 KSOPEFMLZDRNJQ-NRFANRHFSA-N 422.493 1.534 30 10 HDEE COC[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1555355665 JFVVCDLAYYCVRC-AWEZNQCLSA-N 407.434 1.911 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1557540315 XXWYLCNDTVDGDC-IERDGZPVSA-N 409.527 1.025 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)n(-c2cccc(F)c2)c1C 1559852808 CRVDBXMBQSVDDR-CALCHBBNSA-N 409.421 1.248 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cc2C1 1561858297 YTVABDISUBABHB-QGZVFWFLSA-N 401.513 1.970 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)C)ccc2Cl)CC1 1561868548 FDCHLOMUHWVKLP-UHFFFAOYSA-N 419.956 1.237 30 10 HDEE Cc1nc([C@@H]2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 1570396989 ZJJMSQUQIJLBPE-ZBFHGGJFSA-N 407.434 1.206 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1583958258 ZQYAGVRSBXNRPQ-OLZOCXBDSA-N 407.433 1.484 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CCC[C@@H](CC#N)C2)cc1C 1584317526 GSWFCJHOLQCYIT-FUHWJXTLSA-N 420.535 1.368 30 10 HDEE Cc1nc(SCC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C#N)c(C)c1C 1585987086 GJYXYJQPEUJJPZ-GOSISDBHSA-N 409.533 1.387 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2ccc(Cl)nc2n1 1587232752 XZUBZJBORPYRJL-UHFFFAOYSA-N 401.835 1.960 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587585603 CJHTZYBVPCQGRZ-HNNXBMFYSA-N 413.503 1.214 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1587639135 KJKCRHQGJCWAHH-PMPSAXMXSA-N 409.556 1.191 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587842946 XKBSHNDTNYWGMC-XLIONFOSSA-N 422.537 1.137 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(CC)c1 1587970188 QWPSVCBUAZPSLV-UHFFFAOYSA-N 412.523 1.572 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1588806234 KLFGNCHTLAKINT-IBGZPJMESA-N 408.554 1.611 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1589215517 ATWVVBNZIKLPCW-VQIMIIECSA-N 402.524 1.459 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](COC)C1 1589528211 DIYMQNZMMPIZNK-BQFCYCMXSA-N 400.483 1.568 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@H]21 1594627479 VNFXNURZFWGQJK-ULQDDVLXSA-N 409.556 1.956 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nn(C)c(C)c1C#N 1611157430 WDCWORSHYJCPHG-UHFFFAOYSA-N 403.464 1.182 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(O)n2C[C@H]2CCCO2)c1 1613234435 JNNIWQBQGXBXOB-CQSZACIVSA-N 401.448 1.584 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)C[C@H]1OC 1620148028 GEYRWPDVYOBWDJ-CALCHBBNSA-N 401.467 1.350 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(C)(=O)=O)CC1 1625117440 MHFMRPVTUNWBIM-HNNXBMFYSA-N 403.545 1.776 30 10 HDEE CN(C)C(=O)/C=C/C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1627453906 CPUPJUJHJBWTLZ-KXPUMZMLSA-N 405.296 1.802 30 10 HDEE CCN(CC)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1629403918 IXVWUISNKOHEJP-UHFFFAOYSA-N 410.471 1.343 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1634174709 NGVPXRIOXDSRHE-HNNXBMFYSA-N 409.494 1.220 30 10 HDEE CN(C)C(=O)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1637965466 CEXWHJBNKCRPFM-KHQOZGCUSA-N 404.511 1.710 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)C1 1638393376 ZTRFHGHCBDZDMC-WOJBJXKFSA-N 412.534 1.714 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)C(=O)OC 1639558378 ITTOZKPRCMKSFY-QZTJIDSGSA-N 405.426 1.215 30 10 HDEE CN1C(=O)CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1639601981 ZCMGEVPTJXJILU-CYBMUJFWSA-N 405.252 1.021 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c1 1639709539 SLBZSMRBWJLXHH-KRWDZBQOSA-N 412.533 1.190 30 10 HDEE Cn1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n(C)c1=O 1639782858 ONYWQRMNSDNDNL-RNFRBKRXSA-N 407.261 1.967 30 10 HDEE C=CCC1(C(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)CCCCC1 1639975107 PJORQEMEMGUEMG-UHFFFAOYSA-N 402.499 1.806 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1640276606 IRNHPMUMHYGHMY-WCXIOVBPSA-N 410.536 1.671 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1 1640588576 MTEOUZPQBUUJAQ-INIZCTEOSA-N 416.478 1.823 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1643543505 UJMSLMDXKXSPMO-INIZCTEOSA-N 404.488 1.928 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)OCC 1643652215 LRXDIZATOXMUHA-SJLPKXTDSA-N 424.519 1.772 30 10 HDEE CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1cc(C#N)cs1 1648456351 SXBPLULJYBVJMU-UHFFFAOYSA-N 406.533 1.448 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)c1 1648820595 BHVLETWDZAYJFL-UHFFFAOYSA-N 415.519 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(CCC#N)CC3)nn2)C1 1648962950 FSWMGYCGFITROT-MRXNPFEDSA-N 417.514 1.522 30 10 HDEE C#CCN1CCC(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1652172395 BEQYNZPSEZSAPH-NDEPHWFRSA-N 411.568 1.348 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1=O 1652998303 NPBGDBSKUSQHLU-STQMWFEESA-N 417.384 1.723 30 10 HDEE CS(=O)(=O)[C@@H]1CN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(F)(F)F 1655051366 GJDGPTUSLLZXEF-OWCLPIDISA-N 415.437 1.961 30 10 HDEE CNC(=O)C1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCCC1 1661817235 GHLIPARDCCIPQQ-UHFFFAOYSA-N 404.261 1.797 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1662444908 YUGFSBWZGGJCAD-VIFPVBQESA-N 406.229 1.398 30 10 HDEE CCOC1CC(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)(N2CCOCC2)C1 1663111094 GGNWJUDZXVVXNM-UHFFFAOYSA-N 411.499 1.554 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C)C(=O)OC 1668852570 SNDGGQNLAPCELR-CYBMUJFWSA-N 404.872 1.031 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1 1671495773 WJYZFHSTBVTQKF-YOEHRIQHSA-N 413.478 1.612 30 10 HDEE CC(C)C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C(=O)N1CCOCC1 1673887719 SRFZLECVABHYIN-RBUKOAKNSA-N 402.495 1.507 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC[C@H]1CCC2(CCOCC2)CO1 1675999719 UUGPXHDRUXPFBU-OAHLLOKOSA-N 404.515 1.803 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1682794258 CYRBMUROMJEHSX-PSCUFVCCSA-N 421.538 1.494 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)C2)nc1 1683678138 HAQAAAUSJADVPM-SFHVURJKSA-N 406.446 1.846 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1)C1CCOCC1 1684035294 IDKKGFRVAGYDGG-WBVHZDCISA-N 405.499 1.423 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@]12COCCN1C(=O)COC2 1684745505 FPEBQWKBLFJIIQ-NRFANRHFSA-N 400.479 1.354 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1687806220 AKQDVLANUMTJRZ-OALUTQOASA-N 406.552 1.187 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1689966655 YCFXOFQZFHZBTH-QGZVFWFLSA-N 416.503 1.343 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1689992880 QOPQUUKNKHHMAK-SFHVURJKSA-N 414.531 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1690049901 LWCCCRBOKHDWCQ-HSZRJFAPSA-N 407.518 1.407 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cnn(C)c2C)CC1 1690125994 RKIMHLRFKXHKGP-UHFFFAOYSA-N 407.497 1.853 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690451840 RBFPSAWENCBEBN-DOTOQJQBSA-N 421.571 1.421 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1690570226 ZTNKBBXVJFJXLA-UTKZUKDTSA-N 415.469 1.712 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690643816 XLSBUSVNRYLNHL-HOTGVXAUSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)cc(F)c1 1690655508 YGGZJYSYMZURKR-UHFFFAOYSA-N 406.437 1.633 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1690667241 WHOZXSCVRXESLI-SFHVURJKSA-N 407.478 1.224 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690672884 GUFHTCRRONQIEG-GOSISDBHSA-N 419.489 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCCO1 1690723041 FWLPSJRCSDGJJC-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE CCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 1694484648 BOUMKCVVQQQXBM-SFHVURJKSA-N 424.505 1.870 30 10 HDEE CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696433829 WYDWDXPZCCWHDZ-GOSISDBHSA-N 411.510 1.802 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705520106 IGKCHBZDJNGNJN-SFHVURJKSA-N 418.567 1.957 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(c2nc(C)no2)CC1 1705905357 SMSFAFWGLMIZOH-UHFFFAOYSA-N 422.493 1.642 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(NC(C)=O)nc2)C1 1705928388 PNKDGCWBIRGHSB-QGZVFWFLSA-N 400.483 1.998 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cccnn2)CC1 1705945580 NRDRZMPBZCMGJQ-INIZCTEOSA-N 401.540 1.818 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1706601200 FXIKUHOFHSSFRZ-NRFANRHFSA-N 413.526 1.557 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1708955211 OPORDVFUBGNSGM-JTSKRJEESA-N 424.505 1.627 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722281379 YNHMEKZYHJKFNT-DTWKUNHWSA-N 414.276 1.334 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722427663 RKFRSVDSAXAJBY-FXAWDEMLSA-N 401.511 1.468 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@H](C)C1 1722461289 ALCXMKRKTSRIKG-GOSISDBHSA-N 414.579 1.787 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1722533996 FOHGRTXRUPWNSL-GOSISDBHSA-N 407.478 1.838 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722616635 ALJULZXAMBJYBD-KRWDZBQOSA-N 410.526 1.988 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1722686443 YQPVKNOPVPTPJD-ZWKOTPCHSA-N 402.543 1.839 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCO[C@@H](C)C1 1722729483 MEZQLBPDYRRJLV-INIZCTEOSA-N 405.524 1.480 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O 1723778784 FCNDYXUJVAHVPQ-LBPRGKRZSA-N 412.466 1.435 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)c1ccco1 1727602595 DAUVSAIPJNBXOM-NRFANRHFSA-N 424.509 1.581 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCS(=O)(=O)N(C)C 1729409320 DROXBXOZMQIKEM-UHFFFAOYSA-N 402.524 1.945 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1729556639 IVPQUSIIBIUVNS-UHFFFAOYSA-N 413.450 1.579 30 10 HDEE COC[C@@H](C)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730454022 AMIJCIWJPUXOJW-HNNXBMFYSA-N 412.542 1.753 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@@H]2C)CC1=O 1730780357 CNCNLDKBBWVLJS-WMZOPIPTSA-N 424.505 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1740554178 XCWZPMHCTPTEND-GJZGRUSLSA-N 402.524 1.147 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740571069 MSMALLGOLBAMGT-GOSISDBHSA-N 406.494 1.949 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC[C@H]1CO 1740606419 CBYTZKGVQFIOMT-NRFANRHFSA-N 419.533 1.753 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H]1C 1740665952 XFPJMAIMFYOUQI-KRWDZBQOSA-N 405.510 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C2CC2)cs1 1740678496 NEHCHJVHLQFGPU-UHFFFAOYSA-N 414.535 1.982 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCOCCOC)CC1 1740695190 IMTQCOVOQYGCDE-UHFFFAOYSA-N 422.533 1.855 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740714931 OTFKKPCXWSEWPG-HUUCEWRRSA-N 407.565 1.964 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCO1 1740739651 XIALMAIPKQDRQS-NWDGAFQWSA-N 422.349 1.412 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740759183 ARLYVTBJNHNWRP-JQHSSLGASA-N 423.583 1.997 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740764152 AQUGYEAVSQPUBG-VQHPVUNQSA-N 412.556 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1740986328 WUGPJTJQFDRULU-UHFFFAOYSA-N 405.524 1.738 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1748794020 MVMLEOYRHDTRPL-UHFFFAOYSA-N 406.483 1.017 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1748798631 DYBZUVLITSYJLB-UHFFFAOYSA-N 410.522 1.399 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748824708 RSFZQLLRIQSUGO-MDZRGWNJSA-N 412.556 1.238 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(O)cc2)CC1 1748979005 STLINXPZZVXFRB-JOCHJYFZSA-N 411.506 1.439 30 10 HDEE COC[C@@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1749351070 NKRKDUDTVZLFHJ-CJNGLKHVSA-N 424.502 1.381 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@@H](C)C1 1749678037 SYUVBZPMDMAYIK-AWEZNQCLSA-N 418.523 1.187 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ncccc2F)C1 1750377320 ALDMVADLONUJJN-IBGZPJMESA-N 417.420 1.569 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCC1(O)CCOCC1 1750920306 FPDLXLJHYJPGHR-UHFFFAOYSA-N 404.515 1.478 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1=CCCOC1 1751218325 FYJLHDDTPOHMAG-KDOFPFPSSA-N 408.528 1.365 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760123944 DCOZZJVZITXZIV-UYAOXDASSA-N 422.533 1.936 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C)n(C)c1=O 1760222202 ARFSZRCUBSXSAF-PMACEKPBSA-N 423.517 1.520 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCOC2)CC1 1760252980 ZYTOVWQHQRJBRN-KRWDZBQOSA-N 402.543 1.378 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)F)CC1 1760262336 MBMUMOQOBIPPMN-UHFFFAOYSA-N 420.439 1.145 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1760288547 GFIAZXHQNPAOFN-DNVCBOLYSA-N 409.556 1.697 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1760358552 WMDYKVUACJWSNI-VQIMIIECSA-N 407.540 1.903 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNC(C)=O)C1 1760537187 KVOYSQBMOQLAFL-KRWDZBQOSA-N 413.478 1.981 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1760930206 LKYYYPWUYFSKAS-NRFANRHFSA-N 408.510 1.473 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1764820295 VGGKNZZIOKHWEL-MPGHIAIKSA-N 410.519 1.487 30 10 HDEE CC[S@@](=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1766762054 TVRAYQAEMIRNJW-MUUNZHRXSA-N 402.524 1.879 30 10 HDEE CCN(CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC1)S(C)(=O)=O 1766866563 HEIDBFUCHRMIJE-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE CCOCc1nnc(N2CC[C@](C)(CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767819421 XECWSUPUDPXRCH-IVFAQJDTSA-N 402.499 1.967 30 10 HDEE COc1ccc(-c2nnn(CC(=O)ON3C(=O)c4ccccc4C3=O)n2)cc1OC 1772790143 KFXYWFUDXUCFGL-UHFFFAOYSA-N 409.358 1.112 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCc4[nH]nc(C#N)c4C3)C2)cc1 1849458460 ZDOPZCIRRKHNPY-OAHLLOKOSA-N 413.503 1.575 30 10 HDEE C=CCN1C[C@H](C(=O)NCc2nc3ccccc3n2CCN2CCOCC2)CC1=O 1850738748 ILHPYZRQJRPNMZ-QGZVFWFLSA-N 411.506 1.019 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ncc(Cl)cn2)cc1 1851236142 OZXCWDVDVZMUKI-QGZVFWFLSA-N 402.838 1.938 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@@H]2CCn3cnnc3C2)cc1 1851516540 XKCJXOTWQIMNCD-IEBWSBKVSA-N 411.462 1.035 30 10 HDEE Cc1nn(C)c2nc(N3CCN(C(=O)c4[nH]ncc4C#N)CC3)cc(C(F)(F)F)c12 1851947167 YJOXSZMKLHPHDZ-UHFFFAOYSA-N 418.383 1.853 30 10 HDEE Cc1c(C#N)c(Cl)nc(NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1852238089 XPKLPQLUBUZORI-GFCCVEGCSA-N 400.870 1.668 30 10 HDEE CC1CCN(C(=O)CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1852620221 DYEKZGKMTDOFIE-OAQYLSRUSA-N 401.507 1.913 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1852649881 PYTVVGUZISDSFE-KRWDZBQOSA-N 410.927 1.551 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCOC[C@H]3c3cccnc3)CCC2=O)ccn1 1853810943 OHLOITWXRAOBJU-UZLBHIALSA-N 405.458 1.801 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1853919737 DPWUZWBXLDOZEG-OALUTQOASA-N 415.515 1.446 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCCC#N)[C@@H](C)C2=O)cc1 1854281791 VIPQDAQPTPYETM-INIZCTEOSA-N 421.519 1.612 30 10 HDEE CCOCC(=O)N1CCCC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854371070 JABZSROBDJCNGI-LJQANCHMSA-N 414.506 1.988 30 10 HDEE C[C@H]1CCN(C)c2c(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)cccc21 1854607636 IMUNUQVDYNSZBP-KBPBESRZSA-N 404.492 1.156 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)nc2n1 1855100961 UIXBZDUACMUTOF-CVEARBPZSA-N 407.478 1.498 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCCC1=O 1855154424 FLNOPQNCVJZBFN-CQSZACIVSA-N 402.882 1.701 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@@H]1CCS(=O)(=O)C1 1855946730 DMABPFWREKXTSY-GXTWGEPZSA-N 409.895 1.266 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1C 1856393637 WKKUISWVNVSAEZ-UHFFFAOYSA-N 419.503 1.980 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)C3CC4(CCOCC4)C3)CO2)cc1 1856458066 DMKFRPKSWLQTKA-INIZCTEOSA-N 406.460 1.613 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)c1 1856552439 HUKUAYZJUZKZBM-MSOLQXFVSA-N 418.519 1.121 30 10 HDEE Cc1cccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856653618 YWDWFUHJNOCDIX-QGZVFWFLSA-N 405.476 1.450 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1cn2cccnc2n1 1856748768 QTXQBVWEZCKPSL-UHFFFAOYSA-N 402.458 1.793 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(OCCOC)cc3)C(=O)C2)C1 1856865853 BVCFVLJQOVNSOB-LJQANCHMSA-N 401.507 1.647 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CSc2ccncc2)C1)[C@@H]1CCN(C)C1=O 1857055417 DZPJFYSCGNCUNK-FUHWJXTLSA-N 416.547 1.658 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1861614320 AVGSLYRNXMOFQK-IEBWSBKVSA-N 415.490 1.198 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868598470 LBOMPJVAZXMBIH-MJGOQNOKSA-N 422.522 1.878 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN(CCO)CCCC)cc1=O 1870385148 KJCFTCXXNQXKMF-UHFFFAOYSA-N 407.555 1.730 30 10 HDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCN(C)CC1 1870497765 WLIAGSKVPYTVAF-UHFFFAOYSA-N 402.539 1.563 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870562431 GFICKNQMEAAYRR-HUUCEWRRSA-N 419.503 1.165 30 10 HDEE C#CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CCO)CCO)cc1=O 1870563808 PQYGLHJPDUBTQS-HXUWFJFHSA-N 420.893 1.034 30 10 HDEE C#CCOc1cn(C[C@@H](C)O)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871008041 DITRAGVHOIGHPQ-CQSZACIVSA-N 402.447 1.879 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1 1872596727 XPSIKCDHIJZUJP-IBGZPJMESA-N 419.478 1.976 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C3CCC4(CC3)OCCO4)C2)CC1 1872920923 DEIONGXNKQTENC-KRWDZBQOSA-N 419.522 1.061 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CC=C 1873562255 URDJEYLHUGSNAN-UHFFFAOYSA-N 410.522 1.546 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1OC 1874430234 ZCUJRQQHLWNQOJ-SRZZPIQSSA-N 418.523 1.766 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)CS2 1891999410 NTERAXRUYDOYMQ-UONOGXRCSA-N 412.475 1.005 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@]1(O)CCCN(Cc2ccccc2)C1 1975538112 FXQAPCQSLXPHKY-INIZCTEOSA-N 403.342 1.842 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC 1982282487 XPYPBTYGBAINNP-SNVBAGLBSA-N 415.306 1.271 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](CCO)C1 1982283632 PSKGRLSPNVXHFE-LBPRGKRZSA-N 413.334 1.529 30 10 HDEE C#CCC[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984839544 LGNGPKLAYMRXHR-ROUUACIJSA-N 417.506 1.995 30 10 HDEE C=CC1(NS(=O)(=O)c2nn(C)cc2Br)CN(C(=O)OC(C)(C)C)C1 2019458719 YBDBBVDYQPFINQ-UHFFFAOYSA-N 421.317 1.636 30 10 HDEE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 2042438750 NBOIQCGHZGTMFI-LJQANCHMSA-N 407.492 1.483 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1 2054406253 SYEFIGYCDDQPLK-ZWKOTPCHSA-N 406.508 1.715 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(CO)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12 2069652455 INXZZSZBRLXKNT-NMLBUPMWSA-N 420.458 1.525 30 10 HDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)(C(=O)O)C1 2174784545 PDNUIPFIXQOMAI-UHFFFAOYSA-N 415.855 1.564 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCOCC2)CN1C(=O)OC(C)(C)C 2174785523 ZXHDDDTVCDLDTG-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1CO 2178914473 NVXLCHAVQKLBGL-CABCVRRESA-N 401.529 1.608 30 10 HDEE N#CC1(CS(=O)(=O)Nc2ncc(I)cn2)CCOCC1 2189860781 MSKGARAABUSLTH-UHFFFAOYSA-N 408.221 1.143 30 10 HDEE CCN[C@H](CC#CCOC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197747237 CUKLYMRRQONECQ-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820968 UFBNNQHPZKBQAB-CYBMUJFWSA-N 418.303 1.614 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247837613 VICOLKDEAMIZPM-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2255953278 GQRWUCXIRUIRLH-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCC3CC4(C3)OCCO4)c(Cl)c2)OC1(C)C 2267540139 VVXHXMXFEDYTHS-UHFFFAOYSA-N 408.691 1.917 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@@H](N)[C@H](O)C3)c2Cl)OC1(C)C 2281950724 ZXVBZGCJIUQXJQ-YUSALJHKSA-N 400.737 1.529 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)CC(N)=O 2282325153 ACCORRWFMRCONT-JTQLQIEISA-N 402.347 1.240 30 10 HDEE C[C@@H](N)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282333511 PSCOARRXERVXKH-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@@H](N)CC3)c2)OC1(C)C 2282346596 WWTBGRMWGOKSJE-ZIAGYGMSSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC(N)CC3)ccc2Cl)OC1(C)C 2282497604 SBKLICBKHIHQLV-UHFFFAOYSA-N 400.737 1.751 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282498766 JDIVAODRTADZDJ-ZJWNCGCPSA-N 401.359 1.172 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506494 STWTVHFSEXPZQQ-UOXLDJKESA-N 421.415 1.576 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C 2282585787 QBXCDHRWJLNVEP-QWRGUYRKSA-N 400.331 1.056 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H]1N(C)C 2282826332 QGGQNNCQTAYKTP-OLZOCXBDSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CN)CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2282840847 JYKNTBZVPVCBBH-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE CO[C@@H]1C[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282843850 SXWOILOBWOGMDU-BXUZGUMPSA-N 401.721 1.952 30 10 HDEE CN(C)C(=O)CCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872264 UBRDYCQPOKZGRA-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398110 UISNBZRJVPMSNL-NSHDSACASA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CC[C@H]3C(=O)O)c2)OC1(C)C 2284399211 HPQRWCWPITUQGA-CMPLNLGQSA-N 401.315 1.436 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284401083 DMIPBWSIHAPMJO-MFKMUULPSA-N 401.315 1.531 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401207 FRCRMRROKVVMKL-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE Cc1cc(S(=O)(=O)NCCSCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284405165 HDFGPQARPNUZSG-UHFFFAOYSA-N 421.371 1.452 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284410147 RURFZCJBCBVLCS-CYBMUJFWSA-N 401.315 1.080 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(F)(F)C[C@@H]2C#N)C1 2286065358 NFLFMOJATFYMLK-NEPJUHHUSA-N 407.439 1.170 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2300227887 WRSHAYQOEBGMNR-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1C 2300293694 LATSBXXRNAYADY-CHWSQXEVSA-N 420.319 1.423 30 10 HDEE COc1cccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 2329056516 WHFTXKHWGUETRJ-AWEZNQCLSA-N 419.507 1.683 30 10 HDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)CC1 2342038791 AIISJNKISOFWOR-OXJNMPFZSA-N 421.471 1.496 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362563715 GOBVRGVORAMARE-QWRGUYRKSA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2COC[C@H]2S(C)(=O)=O)OC1(C)C 2364914361 RJHDICDVBWVITF-CHWSQXEVSA-N 402.709 1.258 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CC(O)([C@H](C#CC(C)(C)S(C)(=O)=O)NC)C1 2365206563 HNXNDEXOADFNPE-YCMKEVRSSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2365213419 WRAWQNAJCIRSDO-AUUYWEPGSA-N 402.557 1.552 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367784994 DAGCGTJRMOGKDB-GUYCJALGSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F 2367789200 QWTAIJCJSKOPRR-BFHYXJOUSA-N 406.495 1.951 30 10 HDEE C[C@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367797480 VAFWHZOWCYGPPM-ZNMIVQPWSA-N 402.557 1.991 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)C1 2367798458 ZQEYYIJEJNRTSF-UHFFFAOYSA-N 401.481 1.342 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 2367803426 KUFVTNIPULBINO-XHSDSOJGSA-N 400.541 1.617 30 10 HDEE COc1cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc(Br)c1OC 33430579 VGLFMKCOXVRLHC-KCUAXXGYSA-N 416.253 1.863 30 10 HDEE COc1cc(Br)c(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc1OC 33499111 SNLYWTGNJQVMDG-HYDYUIDNSA-N 416.253 1.863 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NCC1CCN(c2ncccc2C#N)CC1 70922538 AQUVJLVXKOOGHH-UHFFFAOYSA-N 420.516 1.996 30 10 HDEE C#CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)[C@@H]1CCS(=O)(=O)C1 111192824 PTADYPIROXKRHD-LJQANCHMSA-N 421.588 1.296 30 10 HDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](N[C@H](C)c3ccccc3)[C@H]2O)cc1 245380642 DXIMAQSOGTXDBC-IGALEPNSSA-N 419.499 1.904 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H](CO)c1cccc(Br)c1 409475773 DSXKFLKUCYWZEE-CQSZACIVSA-N 406.302 1.179 30 10 HDEE C[C@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)n1cnc(C#N)n1 409721085 PMWJAHWOXALMMF-VQIMIIECSA-N 402.458 1.755 30 10 HDEE CNC(=O)C1CCC(Nc2ccc(C#N)c(NC3CCC(C(=O)NC)CC3)n2)CC1 436322389 CJBAVBAHBXPJHJ-UHFFFAOYSA-N 412.538 2.387 30 10 HDEE CCCc1c(NC(=O)N[C@H]2CCCN(CCO)C2=O)cnn1-c1cccc(C#N)c1 439669223 CXMAITNYCCDWMK-KRWDZBQOSA-N 410.478 1.801 30 10 HDEE C[C@@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC(=O)N1Cc1ccccc1 461890998 UDBLXDAFKWPMQB-CJNGLKHVSA-N 414.443 1.934 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2C)n1 471689983 VIRQRDVOQXSMOX-UHFFFAOYSA-N 419.493 1.464 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ncncc3Br)CC2)cc1 481678283 OVQWVGHRICVWIS-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 487098734 SNSKMHFJDPVKPS-UONOGXRCSA-N 410.430 1.932 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 487165419 RDDQDQCTROLEIM-YJBOKZPZSA-N 410.396 1.758 30 10 HDEE Cc1onc(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1C#N 499640370 LBOKNTLGIPQUDF-UHFFFAOYSA-N 402.838 1.800 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1CC(C)C 502006714 CZZWOHIBIFLLKR-UHFFFAOYSA-N 422.510 1.694 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 514202336 WDTGLTVHUCGYDO-WOJBJXKFSA-N 414.481 1.214 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 515658750 QWGBTVPCNKYKHZ-UHFFFAOYSA-N 415.478 1.193 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1nnc2n1CCCCC2 515750147 DNUDXAJMRUUYML-CQSZACIVSA-N 401.492 1.668 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 523306134 NJJXVHARTLKBIX-UHFFFAOYSA-N 414.483 1.880 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 530382451 HSZGBILOSWNIAT-DOTOQJQBSA-N 417.418 1.402 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cc1 533544893 SDDNIPKIDWOLFF-MRXNPFEDSA-N 424.522 1.827 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542727790 JJSYVEQQSDTEOF-UHFFFAOYSA-N 412.471 1.318 30 10 HDEE Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccc1OCCO 543023887 OLLYLOJPNROYKG-UHFFFAOYSA-N 403.460 1.810 30 10 HDEE COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 545461485 JZQMVJLGOBIEQM-KRWDZBQOSA-N 419.485 1.972 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 546801946 ZAKQOCWMUOCRDK-UHFFFAOYSA-N 416.525 1.012 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 549691548 JHZUIKJQRNATKB-QGZVFWFLSA-N 423.514 1.963 30 10 HDEE C=CCN1C(=O)N(C[C@@H]2CCCCN2S(C)(=O)=O)C(=O)[C@H]1Cc1ccccc1 553156405 FKNCZENYMMETCP-ZWKOTPCHSA-N 405.520 1.862 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 559241285 LJMMHZSVXWTYQF-DLBZAZTESA-N 415.519 1.724 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 572017982 ITOBOTUOWMBSBL-MCIONIFRSA-N 401.558 1.127 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 583232664 YWJYIUWPBRRMFD-KRWDZBQOSA-N 421.523 1.625 30 10 HDEE C=CCOc1cc(NCC(=O)c2ccc3c(c2)NC(=O)CO3)ccc1-n1cnnn1 586322990 RYOLFMJGHJWYOF-UHFFFAOYSA-N 406.402 1.853 30 10 HDEE CN(C)c1cnn(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1 590403426 USGXEVSPIXHZAV-UHFFFAOYSA-N 415.519 1.599 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1=O 619760659 YJBXUBOHIASDRJ-INIZCTEOSA-N 400.870 1.936 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 623117137 QHMQERRJTWZSDH-INIZCTEOSA-N 402.495 1.095 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 669806250 VSYVYNCYAYKVHP-UHFFFAOYSA-N 414.510 1.359 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 679530146 DFRJATDZTNDMAM-HZPDHXFCSA-N 423.535 1.611 30 10 HDEE C#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 731639977 XHYZNXKVSUXCJE-BHIYHBOVSA-N 418.515 1.747 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 740815216 LIFKNAHCTATBHP-UHFFFAOYSA-N 420.441 1.841 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCSc2ccccc21 741339445 GLZGJFPGTQWTQC-NIVDNSEKSA-N 415.471 1.974 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCc1c[nH]c2ccccc12 741342168 FUKIVSWWWKDZNX-CEGCDYRFSA-N 424.457 1.675 30 10 HDEE C[C@@H]1NC(C(=O)NC2CCN(c3ccccc3C#N)CC2)=NN(c2ccccc2)C1=O 742194089 QLKUQQKXUZODHX-INIZCTEOSA-N 416.485 1.982 30 10 HDEE C#CCN(C(=O)Cn1c(S)nnc1-c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 746590802 PHVZHBXGEHBOGT-CQSZACIVSA-N 424.935 1.536 30 10 HDEE C#CCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 747404467 KZFWOOFUZPLDEY-UHFFFAOYSA-N 421.567 1.031 30 10 HDEE C#CCN(CC#C)C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 752151754 FDTRAONBOVGJMU-QGZVFWFLSA-N 415.515 1.165 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCCNC(=O)c2ccccc2)C1 758435749 RYGFDRMOLLLWGD-SJORKVTESA-N 415.494 1.865 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(O)c(Br)c1 766982494 IFNRCAGTVQOOQZ-PFONDFGASA-N 409.240 1.480 30 10 HDEE C#CCC(C)(C)C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 767648997 GQMFYFLMUOZKKB-ZDUSSCGKSA-N 410.492 1.865 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@H]3CCCO3)c2=O)cn1 772277458 IYHSLHNKFHTRDS-GOEBONIOSA-N 412.515 1.504 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@@H](C)CC)n(C[C@@H]3CCCO3)c2=O)cn1 772277461 IYHSLHNKFHTRDS-HOCLYGCPSA-N 412.515 1.504 30 10 HDEE C#CCN(C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2)[C@H]1CCS(=O)(=O)C1 774147973 KFGFGBRLFNYXGM-YOEHRIQHSA-N 406.504 1.741 30 10 HDEE C[C@H](NC(=O)CNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 784615208 UPNUVLLYZHACIQ-RBZFPXEDSA-N 413.405 1.268 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 784707558 OBRPOTRENSGLRH-SREVYHEPSA-N 409.508 1.962 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(F)c3)cc2C1=O 785249815 LFHUPDCOHGBPIF-UHFFFAOYSA-N 402.403 1.868 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC[C@H]2C)cn1 795183697 PJOVUKHHPNOZMR-FVQBIDKESA-N 419.551 1.888 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797424770 CSISRSTXHIYCRV-GVDBMIGSSA-N 418.567 1.701 30 10 HDEE Cc1ccccc1CN1CCCN(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)CC1 798739935 FWBAGZHWUCBYLC-KRWDZBQOSA-N 410.478 1.297 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 914680201 RDYXEMDUIVVSTR-ZDUSSCGKSA-N 402.428 1.911 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCCC(=O)OC)C1=O 920986569 JKCFFPWZZQCVSY-OAHLLOKOSA-N 402.476 1.969 30 10 HDEE C=CCC1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCOCC1 1125031622 VTMJNQGFXYVLCX-UHFFFAOYSA-N 407.492 1.119 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(C#N)c(F)c2)C1 1129571657 CSOYTNRXUPWCJN-BFUOFWGJSA-N 423.466 1.918 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2ccc(I)cc2-n2cnnn2)CCO1 1134270159 AYUYEEQWQCRYLS-CQSZACIVSA-N 424.202 1.022 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1134420482 AMYROCXYESJXBP-AWEZNQCLSA-N 402.517 1.067 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c([N+](=O)[O-])c4)C3)CC2)C1 1134522331 PPXWCCIWTTWGDG-ZDUSSCGKSA-N 417.393 1.951 30 10 HDEE O=C(NCc1ccccc1CS(=O)(=O)N1CCCC1)c1cccc(C#CCO)c1 1137571649 LTPJJFOSCZAJCH-UHFFFAOYSA-N 412.511 1.886 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 1142593004 FIJMXTFGGUYIDB-LSDHHAIUSA-N 411.499 1.516 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOC1 1149498311 QJAYNICACKZQSS-VQTKLETLSA-N 407.467 1.222 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)nn1 1182822721 LNQFLOQTILSMRD-OAHLLOKOSA-N 405.503 1.158 30 10 HDEE N#CC1(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CCOCC1 1187880095 CTFMTHUCCLIUJJ-UHFFFAOYSA-N 410.452 1.348 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccnn3C)C2)cc1 1198250828 IQUYJFGECNHJSH-SFHVURJKSA-N 419.507 1.832 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)CC1 1199957424 UJGJAANOPXYGEM-UHFFFAOYSA-N 424.571 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cccc(C)c1 1286431770 RIOSOIUJXDUFBW-FQEVSTJZSA-N 405.502 1.983 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1286451020 HFNWZKUAUNRBDD-CQSZACIVSA-N 423.514 1.682 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CCCO1 1286457548 RNJHUVBELYSJFX-LEWJYISDSA-N 406.527 1.974 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OC)CC1 1286472633 ZQYPYXKMZJPGNJ-UHFFFAOYSA-N 408.506 1.326 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2snnc2C)CC1 1286475229 ZTQRKOKFRBBACC-UHFFFAOYSA-N 409.519 1.917 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(=C)Cl)CC1 1286494396 NMRYUJNGFNTUMR-UHFFFAOYSA-N 404.902 1.119 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@]1(OCC)CCOC1 1286562864 BFKBTFZRGPLRNU-MMOPVJDHSA-N 421.542 1.484 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286715993 AMCAQQHISLPCCB-UWJYYQICSA-N 421.542 1.578 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1286728815 GRVBQGGBVZUGRQ-UHFFFAOYSA-N 408.304 1.682 30 10 HDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)C1CC1 1286735346 WFCIIXLWIKLICU-UHFFFAOYSA-N 400.508 1.863 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2c(CC)nn(C)c2Cl)CC1 1286781179 VQMUFFPJKSTYMY-UHFFFAOYSA-N 420.949 1.160 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccccc2)C[C@H]1C 1286785780 IMTCZPHYTQGTHZ-NXHRZFHOSA-N 408.506 1.914 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2ccco2)C1 1286787955 NDKFUCWRBKMQBV-IRXDYDNUSA-N 401.467 1.993 30 10 HDEE CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1289200932 CBWGSOFKUFPDSF-SGTLLEGYSA-N 409.895 1.945 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(F)c(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1289435639 CAPSWKPTGDAKJY-RMLUDKJBSA-N 405.220 1.738 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(Cc3ccncc3)CC2)c1 1291776777 NNYCHDQMRJCIPZ-UHFFFAOYSA-N 416.478 1.912 30 10 HDEE O=C(NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cccc(C#CCO)c1 1297461316 UHZWDSAUMJGGCO-OAQYLSRUSA-N 424.472 1.617 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)F 1300570074 XLHOHKXZGGWXNS-UHFFFAOYSA-N 400.368 1.946 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1300621704 UGOHVHNZGNYJJG-UHFFFAOYSA-N 406.494 1.418 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCC3(CS(C)(=O)=O)CC3)ccc2c1=O 1300723887 KUKHZSWPOJZDLO-UHFFFAOYSA-N 421.544 1.816 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301014326 YPHGXPNUSNAPAZ-UHFFFAOYSA-N 401.858 1.704 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301160752 WXNWIBOPXJLNJL-MRXNPFEDSA-N 400.527 1.814 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1301297170 MTUNVHGVGFIXJO-KRWDZBQOSA-N 416.551 1.846 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)C 1301383815 MPJOVEDTXDOCOQ-UHFFFAOYSA-N 400.483 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301496432 AKNJEJJYJAPUHT-ZDUSSCGKSA-N 406.450 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)C1 1301588775 JHJQYRPPSOCBLP-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1301915945 FDWJKFJCIRBZLK-CQSZACIVSA-N 408.470 1.043 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 1302286730 LXOFYDPZFIHVKK-QOKNQOGYSA-N 418.477 1.205 30 10 HDEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1302429704 TWWGIEHXXLZTIV-CQSZACIVSA-N 418.309 1.988 30 10 HDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOCC2)CC1 1302448791 FXVRKBGVDJWNSV-UHFFFAOYSA-N 401.492 1.478 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1303497800 ZTDCBQQYXOEWEF-VAMGGRTRSA-N 423.489 1.566 30 10 HDEE NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1304200530 KZGWEPWKNXOCHF-MRXNPFEDSA-N 419.865 1.178 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CN(CC(C)C)CCO1 1304829412 DQLIVNCHPPINLY-GOSISDBHSA-N 411.510 1.478 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1306436912 PXBRXRAADCJQKB-SOUVJXGZSA-N 419.507 1.697 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NC[C@@H]1CCCN(CC#N)C1 1306650466 BZNBNCDFYJFPOA-HOTGVXAUSA-N 407.540 1.331 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)cc1 1307571070 ABAUMLZMCGSOFY-PZJWPPBQSA-N 415.515 1.349 30 10 HDEE C=CCCn1cc(CN2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)nn1 1308766087 KDCSUMJZSRCZNW-CVEARBPZSA-N 401.433 1.902 30 10 HDEE C=C(C)CN(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312975466 CXDZWUYBGGNQHU-UHFFFAOYSA-N 410.540 1.365 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)COC)CC1 1315742923 APJHOCIJUSLPPG-MRXNPFEDSA-N 412.494 1.394 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(C(=O)N4CCOCC4)CC3)cc2)nc1 1318372729 WJTCTCFKFZMHKX-UHFFFAOYSA-N 421.457 1.956 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC(C)(C#N)CC1 1320793131 OJNIEAPBJHZYDD-INIZCTEOSA-N 421.519 1.381 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1358913734 WWVZGGUTEWWUGP-QGZVFWFLSA-N 409.556 1.275 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@](C)=O)CCC2)CC1 1359034913 GKPULBPDSRZJHH-HPGBDJQBSA-N 405.568 1.576 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)CCOC)CC1 1359036697 FQPIAEZQDJIROS-JOCHJYFZSA-N 415.513 1.551 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1359302505 JLZCGOBPYWTVHJ-WBVHZDCISA-N 416.551 1.941 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCn3ccnc3C2)C1 1359312566 XDNDENLVMKFOKX-DLBZAZTESA-N 413.526 1.657 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359327210 VNMIQTFNXHUOER-AWEZNQCLSA-N 404.558 1.016 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1359471981 DASKAZKGUPMYGP-QKKBWIMNSA-N 422.493 1.256 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1438400533 IOWWKRYSBHBQSN-CYBMUJFWSA-N 418.899 1.750 30 10 HDEE C#CCN(CC(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC(C)(C)C 1441375553 UNYFOOBBQQXWNR-HXUWFJFHSA-N 400.435 1.550 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)CN(C)C)cc1S(=O)(=O)NCC#N 1454131739 WKMSRKJJWXDIOS-AEFFLSMTSA-N 406.552 1.989 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)NOc2cccc(C#N)c2)(S(C)(=O)=O)CC1 1454684491 XCFGUFBRHDWOBS-UHFFFAOYSA-N 423.491 1.783 30 10 HDEE C=CCCC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1455831634 AKAALVNDADYCFZ-ZFWWWQNUSA-N 407.492 1.518 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CC2(C#N)CCOCC2)CC1 1457186522 SPFRJPALNOYZTK-HXUWFJFHSA-N 412.534 1.588 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cn(C2CC2)c1=O 1464928191 WHCXVQXQGVIIRC-JQIJEIRASA-N 421.251 1.202 30 10 HDEE C[C@H]1CN(CCCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H](C)O1 1465683835 GXAICDFHJFYJHZ-GJZGRUSLSA-N 411.499 1.742 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(OC)(OC)c2ccccn2)c1 1471341145 UXUURRGPNRGERH-UHFFFAOYSA-N 402.472 1.754 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2CSC)CC1 1471451074 FIGCLZHXMJYHCH-UHFFFAOYSA-N 407.517 1.521 30 10 HDEE C=C[C@H](CO)NCC(=O)NCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 1473668753 QVRSUIYRXRAUMN-GULXKOIASA-N 409.895 1.629 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1476026398 QSLCPMUVTYFUSO-XEFZIOHMSA-N 406.508 1.785 30 10 HDEE C#CCN(C)CCCNC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1478736293 OQUNLEWCLNSKSV-SFHVURJKSA-N 407.559 1.278 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnn(CC)c2)CCOC1 1502681136 CJBXXURLWCPNEL-OALUTQOASA-N 403.462 1.637 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1507596905 QRMYHSDTMJCRGB-OAHLLOKOSA-N 404.515 1.887 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Br)n1 1507620792 LNTVTWXLIBINRT-UHFFFAOYSA-N 403.284 1.676 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507643665 XUCDMNYTGANLKR-HNNXBMFYSA-N 419.482 1.179 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1507670035 XSDQEGFVCCKIRX-GOSISDBHSA-N 403.552 1.129 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1507672401 ZXUDQIAAJBYJCN-GOSISDBHSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(O)c2)CC1 1507723677 QIXAFDAQTBYMFM-UHFFFAOYSA-N 405.462 1.253 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CC2)CC1 1507733585 DSEIOVFVHBSLKL-UHFFFAOYSA-N 418.567 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1507741470 UJSSWGSRCNENRJ-IRXDYDNUSA-N 417.554 1.984 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507965851 WEBCEMLUQQPKFC-IBGZPJMESA-N 418.586 1.956 30 10 HDEE C=CCn1c(N2C[C@H](CC)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1508066189 IIILKWVWUFGUIF-UEXGIBASSA-N 405.543 1.663 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCO 1517106276 QTOWMFYWCFFEAY-SFHVURJKSA-N 417.535 1.851 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1529164994 CNKNTJCTQIYPJI-QGZVFWFLSA-N 411.414 1.624 30 10 HDEE C=CCC1(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CCOCC1 1530902531 DFAJWSFPMGKCCJ-UHFFFAOYSA-N 421.563 1.612 30 10 HDEE Cn1ncc(I)c1CNC(=O)c1ncc(C#N)cc1Cl 1533073845 NILLIGHUTIICQF-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1538983802 XUOGRCGEWOKVCZ-SPLOXXLWSA-N 416.478 1.580 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1539005844 VZRFOCXRQABTOD-QLFBSQMISA-N 408.462 1.592 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539201692 BVJASXCREDFKBB-YWZLYKJASA-N 420.535 1.703 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539202661 JYGHTRZXSZSUOP-RDJZCZTQSA-N 404.540 1.623 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539222224 USKOKQRVCXDKKR-IAGOWNOFSA-N 424.567 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(CC(F)(F)F)C1 1539256700 GFZUWIWTUJMWMN-HNNXBMFYSA-N 405.428 1.636 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCSCC)CC1 1539481049 HWESVINJTGLZBW-QGZVFWFLSA-N 405.568 1.891 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539519486 IXWLUBDNITYRFS-UHFFFAOYSA-N 401.584 1.879 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3F)n2)CC1 1540076548 BGOFHYUOGDVDIG-UHFFFAOYSA-N 401.354 1.839 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1)C1CC1 1540092645 PNXLEICNWCXNFK-UHFFFAOYSA-N 400.527 1.975 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCO2 1540199348 ZBWLRKPOFSXJTB-MRXNPFEDSA-N 413.478 1.688 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC3(CCCC3)C2)nnc1[C@]1(OCC)CCOC1 1540875880 AOZCISZOISXBBC-NRFANRHFSA-N 419.526 1.382 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 1544630186 CZGMZQSCGANDLA-UHFFFAOYSA-N 418.251 1.949 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC(C(=O)OCC)CC2)s1 1544964120 LGAPUDYOLDFKHR-UHFFFAOYSA-N 414.549 1.993 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1NC(=O)CC1(C)C 1545832553 TWPRBGULCALDBN-DZGCQCFKSA-N 403.531 1.707 30 10 HDEE CCn1cccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)c1=O 1547624343 APEOSYJZKVAHCE-UHFFFAOYSA-N 417.473 1.373 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1555583358 VCHAGJKITQGORZ-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1555611852 FWHAWSFGELBNGW-XHSDSOJGSA-N 413.544 1.565 30 10 HDEE C#C[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1556309797 DYUOAAYNJVOHCZ-XOBRGWDASA-N 405.454 1.907 30 10 HDEE C=CCn1cc(CNC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)nn1 1557105293 VHFZLISNIBFGCS-UHFFFAOYSA-N 402.398 1.659 30 10 HDEE Cc1nn(Cc2ccc(Cl)cc2)c(C)c1Cn1c(=O)c(C#N)cn(CCO)c1=O 1559441081 UXXCHUFKIGNYRR-UHFFFAOYSA-N 413.865 1.437 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)N(CCC)CCC)CC2)cc1 1559812564 DOCSTROUBXFORS-UHFFFAOYSA-N 420.579 1.981 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCO1 1561631474 FJIUQFAOMXVFIA-JSGCOSHPSA-N 401.286 1.450 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)[C@H]1CCCO1 1563027811 BKDIQKMHIXKRNC-IEBWSBKVSA-N 421.519 1.572 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1564847464 NCLFOLMUCHHCEF-LJQANCHMSA-N 420.941 1.836 30 10 HDEE C[C@H]1Cn2nc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2CN1C(=O)OC(C)(C)C 1566317706 GPMMFYGHMCRLSE-AWEZNQCLSA-N 416.482 1.220 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588029037 CNAZPXSPOMTXAH-CABCVRRESA-N 405.528 1.078 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588035525 USHKDUPBWLKHSA-RTBURBONSA-N 402.520 1.991 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1588065312 WOZGPLYSJRIELZ-RBUKOAKNSA-N 419.595 1.732 30 10 HDEE Cc1[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1C=O 1588158385 VLKGMHJLTNTSFD-UHFFFAOYSA-N 400.460 1.462 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1ccnc1C 1588292863 DTKYMYWMFIPGGQ-UHFFFAOYSA-N 402.466 1.585 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1588790912 GYCUSAXSBRGSCI-GOSISDBHSA-N 410.497 1.754 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C)N2CCCCC2)CC1 1588806443 QTWDVFLBSHXWKT-MOPGFXCFSA-N 413.570 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588908348 PUAPIZVPSHQHAY-SBUREZEXSA-N 423.517 1.451 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc3c(c2)CCO3)CC1 1588947713 UPJGAUWZXBVTNC-UHFFFAOYSA-N 407.518 1.984 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1594237029 LYHKTFRHKTWQCA-KRWDZBQOSA-N 411.572 1.856 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1594961853 GGMCKLDNZNNJQN-KBPBESRZSA-N 419.498 1.669 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595737474 BNAAZHXFFWUGGR-MSOLQXFVSA-N 417.535 1.480 30 10 HDEE N#Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1Br 1595885356 MEGSZMNAFYAQRR-RRCSTGOVSA-N 418.247 1.812 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1596282227 HMTJIUTZZAVJIE-JOCHJYFZSA-N 422.537 1.634 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)c1 1597951678 UQAWKUPGSRMGGL-UHFFFAOYSA-N 410.455 1.620 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1598197553 YCGSJOFBZZALGE-LPHOPBHVSA-N 400.439 1.989 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)C1 1611766808 BTQIJPFXINIEQX-IBGZPJMESA-N 415.523 1.690 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@@H]2C)cs1 1612412405 OXIOUYRJEXVFDS-YOEHRIQHSA-N 401.540 1.847 30 10 HDEE N#Cc1cn(C2CN(c3ncnc4cc(F)c(Br)cc34)C2)c(=O)nc1O 1612618862 KWLHWAKDTIZYBM-UHFFFAOYSA-N 417.198 1.727 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(N4CCCC4=O)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1617486895 JQPFNCPHYYHFSH-SGTLLEGYSA-N 407.879 1.477 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cnccn2)nnc1N1CCC(C#N)CC1 1620160892 VDNGSEQENODSPO-UHFFFAOYSA-N 403.512 1.690 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1620354493 GNNAERZWOZNQJN-QWHCGFSZSA-N 419.392 1.078 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCCO2)nnc1N1CCCOCC1 1620385366 XWFMSOHRMSPLRA-CWFNNOHCSA-N 416.482 1.273 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OCc3ccccn3)C2)s1 1622419074 YUSNFDNTTCUWEU-INIZCTEOSA-N 421.544 1.968 30 10 HDEE N#Cc1cnc(C(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(Cl)c1 1622505088 DHIHBKSHLXFEGE-CYBMUJFWSA-N 400.822 1.661 30 10 HDEE N#Cc1c(CCCNC(=O)c2cnc3n2CCOC3)nn(-c2ccc(F)cc2)c1N 1624381816 ZVSBRCITEVEUGF-UHFFFAOYSA-N 409.425 1.555 30 10 HDEE CC(C)(CS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1624936435 RTJULXSUSGRMSD-SHYRYGCCSA-N 413.540 1.713 30 10 HDEE C=CC1(CC(=O)N2CC[S@@](=O)C[C@H]2c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1625081811 QKJHTMIXFJWNAK-GUNSETOZSA-N 422.551 1.865 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)[nH]2)cc1 1626285532 NUASBDSQLQXRAS-HAVVHWLPSA-N 417.491 1.959 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)/C=C/c1ccccc1C#N 1626727467 NBABKSMORQKKRU-IZZDOVSWSA-N 414.443 1.917 30 10 HDEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627137349 VWRKCRCNJFSSGR-VBKZILBWSA-N 400.456 1.883 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)cc1 1628581086 VJWPYOHSKKEJFW-CVEARBPZSA-N 406.504 1.838 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1628627637 AGBGECRYNGKIHN-NUEKZKHPSA-N 414.321 1.153 30 10 HDEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(N2CCCCC2=O)cc1 1628880606 IFYBQVWJIKRUOD-CQSZACIVSA-N 409.446 1.605 30 10 HDEE COc1ccccc1-c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(O)n1 1632880238 JRXVOCVGCWHXRT-DYTRJAOYSA-N 408.414 1.719 30 10 HDEE Cc1ccc(C(=O)Nc2ccc3nc(N(C)C)[nH]c3c2)cc1S(=O)(=O)NCC#N 1635192688 NRTPCMVLQCELIM-UHFFFAOYSA-N 412.475 1.992 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]12CCCN(CC1)C2 1636245218 LDVIEYOFGCXTEN-JXFKEZNVSA-N 404.536 1.638 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639179170 RBHDCGWOQZPRIH-ZTENYAIWSA-N 411.524 1.467 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](CO)c1cccc(Cl)c1Cl 1640950483 GMNGTIXCMBLYOX-ZDUSSCGKSA-N 411.245 1.709 30 10 HDEE Cc1ncc(I)c(N2CCN(c3ccc(C#N)cn3)CC2)n1 1642123067 FWKUMBWTFMJDMW-UHFFFAOYSA-N 406.231 1.983 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(NC3CCOCC3)CC2)c1 1643363002 DUQSSAHCCPZPHN-UHFFFAOYSA-N 404.532 1.857 30 10 HDEE CN(CCS(=O)(=O)c1cccc(C#N)c1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1644171371 AYDVUKWNVMNCAK-MRXNPFEDSA-N 411.524 1.492 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1647780589 HQTSTYIQPFCFLV-AWEZNQCLSA-N 402.524 1.679 30 10 HDEE CS(=O)(=O)C[C@H](O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 1648136391 UDOSDQMAWIDAOZ-MRXNPFEDSA-N 404.513 1.986 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 1650951525 HNVNCZWCJPBTIU-UHFFFAOYSA-N 409.227 1.929 30 10 HDEE CCOC(=O)[C@](C)(NC[C@H](O)CC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 1654303101 HVVZNWNBTSKGGF-VQIMIIECSA-N 408.520 1.903 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1654762173 BTGHEDSDDFJNBW-INIZCTEOSA-N 409.490 1.278 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1655337455 DQWRVVZDPZFPAO-WMLDXEAASA-N 424.954 1.733 30 10 HDEE N#Cc1ccc(NC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1656530849 QIGMFKFEEFPUIL-CJNGLKHVSA-N 401.410 1.938 30 10 HDEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@H]2c2ccccc2Br)CCOCC1 1658122036 UYVOMPHTZREBPA-WMLDXEAASA-N 422.323 1.993 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)CC2)nc1 1660949833 FLCAARRXTYLBNR-MRXNPFEDSA-N 400.460 1.245 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(CCC(N)=O)CC1 1663176248 DGKAIFXPFVKKMK-UHFFFAOYSA-N 400.298 1.987 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)C1CCOCC1 1664694242 FZOMOGBGCKFHJM-MRXNPFEDSA-N 413.521 1.653 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)OCC 1665496898 LJBITJCJCXSVPK-LBPRGKRZSA-N 424.928 1.337 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C(=O)CC#N)CC2)cc1 1665968431 BJHOIVKBJYDFAO-UHFFFAOYSA-N 405.480 1.083 30 10 HDEE CCOC(=O)c1c(NC(=O)N(C)CCCn2ccnc2)c(C#N)cn1CCOC 1670021483 BLIDIXHDCDJULK-UHFFFAOYSA-N 402.455 1.933 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCc3nnc(S)n3C3CC3)C2)nc1 1674009185 CDKOQCYXOPTBTJ-CQSZACIVSA-N 412.523 1.997 30 10 HDEE CO[C@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1679501305 BIKVMVJFLLCKKF-BZNIZROVSA-N 401.398 1.302 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1682197741 XXQJLRKOTMFXQP-SFHVURJKSA-N 402.495 1.059 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n(C)c1C 1682227406 SIURHOYMEIZOCH-LJQANCHMSA-N 423.473 1.592 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1684256192 WLEXCTLKLKHZJJ-SFHVURJKSA-N 417.506 1.442 30 10 HDEE CC(C)N1C[C@@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1684782147 FZYIXAWFHTZAKN-SFHVURJKSA-N 421.505 1.789 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)nn1 1686847936 LKVKRXDNYHSYNK-SFHVURJKSA-N 404.902 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1689851876 WRXZRICVHUWGAL-YJBOKZPZSA-N 402.520 1.833 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1689863493 VFSPKMKACSWWFL-INIZCTEOSA-N 407.478 1.777 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689990475 PAYRSGQFUAMLEO-SJLPKXTDSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCS(=O)(=O)c1ccccc1 1690011251 HXQZPKOJGZSVDK-UHFFFAOYSA-N 405.483 1.887 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1CCCO 1690052878 SWNQMUIIQGVZQS-OAQYLSRUSA-N 423.565 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C 1690096009 KYVYYCCWKXMZJB-INIZCTEOSA-N 419.551 1.385 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1)c1ccccc1 1690321630 HFJHOTVZORYRKB-QGZVFWFLSA-N 410.478 1.771 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC1CCC1)CC1CC1 1690655110 HHPLTUGMLFUTHQ-UHFFFAOYSA-N 400.527 1.833 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1690671939 CZKZEOOCBRXXBJ-GOSISDBHSA-N 414.558 1.904 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC#N)CC1 1696497801 ZBGDPAGOANGGIN-UHFFFAOYSA-N 420.543 1.138 30 10 HDEE COC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCCC1 1697237508 DCNDWPRTGDUQGX-UHFFFAOYSA-N 410.478 1.624 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705559495 BHDCUJVTPQYHDC-KRWDZBQOSA-N 401.536 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1nnc2n1CCCCC2 1705571906 KVOAYDTWLGBFEB-UHFFFAOYSA-N 408.510 1.050 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1705604055 DMWFFAZIKQOQLK-HNNXBMFYSA-N 408.572 1.222 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCCC1 1707913447 CVBZCZOCZBXTMH-UHFFFAOYSA-N 407.522 1.826 30 10 HDEE C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1708091660 QAUSWVACCFWITO-HNNXBMFYSA-N 403.508 1.867 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1722361824 PWMDHRGAAFSXFW-MRXNPFEDSA-N 420.564 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(N(C)C)nc1 1722426077 XNHNXSNKBFLWRR-UHFFFAOYSA-N 405.506 1.859 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1722455166 PKBWEJFTUNGKFF-UHFFFAOYSA-N 400.464 1.498 30 10 HDEE C=CCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@@]1(OCC)CCOC1 1722691585 VXEXQCFWKBPFIT-HXUWFJFHSA-N 401.467 1.672 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722691613 SATIWHJPXBLKQL-HUUCEWRRSA-N 416.530 1.668 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](OCCOC)C1 1722694811 JNFXFCAWKKAZKT-LJQANCHMSA-N 424.505 1.751 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722737990 YOQVGGZINBGXQV-BEFAXECRSA-N 404.540 1.982 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(O)c1 1723932246 AWVHWSSAKXVKRB-SJCJKPOMSA-N 408.459 1.084 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1(C)C 1730402807 FHCWTPSPDRGMJZ-SFHVURJKSA-N 422.493 1.882 30 10 HDEE COCCn1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cn1 1730771527 AJEOPBNQZDGOMS-IRXDYDNUSA-N 401.471 1.140 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C[C@@H]1O 1731140605 SKFOFYYEGVWGFI-FYINFDKHSA-N 413.478 1.087 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740570888 KJUMOCUKBOTKLR-QGZVFWFLSA-N 409.538 1.866 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1740614554 VSXRKIWQIKQHJV-UHFFFAOYSA-N 413.478 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCCO 1740630814 MFESMYDCJDOADY-UHFFFAOYSA-N 400.504 1.584 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1740676438 CTUHRGCPQWNJQQ-VQTJNVASSA-N 424.480 1.997 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740922119 VHNNKIDVTQILRZ-GOSISDBHSA-N 408.549 1.959 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1747432576 CMEWWHRHJZXPBT-HNNXBMFYSA-N 418.523 1.371 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@@H]1CCOC1 1747660791 PNMVPEXYSLMLRB-CQSZACIVSA-N 420.420 1.335 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCCCCC2=O)cn1 1748009218 BHYDKYXUYNQLGH-FQEVSTJZSA-N 414.489 1.913 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1748278169 FWFVTADACZTQNN-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F 1748962529 KPELKNGUPXJMKZ-QGZVFWFLSA-N 420.510 1.648 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1748993865 OZPHEIGUCAWXQP-WOJBJXKFSA-N 401.555 1.818 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCn2ccnc2C)CC1 1748994333 YPTDCGJHRBZPJC-UHFFFAOYSA-N 404.522 1.614 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749229985 SDZWWXGQYOVPCA-RBUKOAKNSA-N 405.543 1.533 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCC2)C1 1749713137 PHGFMWSDLQRJEC-IAGOWNOFSA-N 423.583 1.446 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccco1 1750027511 MYBHFMFRCOXOIW-DOTOQJQBSA-N 400.483 1.820 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)C1 1750379238 CXCYZZVVNTVRGX-OAQYLSRUSA-N 420.452 1.884 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1752270307 CKAFNGXGCMLPLC-MLNJSSBLSA-N 412.519 1.395 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1760175587 MYMNZGIWLMRQOK-LJQANCHMSA-N 415.563 1.772 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@H]1CCS(=O)(=O)C1 1760221076 ISIPJMMFRKIIRB-QGZVFWFLSA-N 402.545 1.828 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1760227404 DKHOWWAHFUZXGR-GHTZIAJQSA-N 405.543 1.358 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](C)C2)CC1 1760261544 NEONTTJBBSYPBN-OKZBNKHCSA-N 405.568 1.372 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1760294440 XAJITUFXBYLUJK-HRAATJIYSA-N 400.527 1.332 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC)C1 1760544639 DFCXWSPUDNMCGT-INIZCTEOSA-N 405.524 1.865 30 10 HDEE CCCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1764571113 GXBCXWBPNSRLQH-ZDUSSCGKSA-N 408.466 1.858 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOC(C)(C)C 1764908902 BFLJMQKRDCZTKG-UHFFFAOYSA-N 400.531 1.896 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1769365862 HDQUDACTMNFBBT-INIZCTEOSA-N 418.523 1.229 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(F)(F)C1 1771564242 BSMCLPUVQNQQOE-PERWBAPNSA-N 422.436 1.544 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCC2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772788472 UPWXECOAEPHZKJ-UHFFFAOYSA-N 403.416 1.178 30 10 HDEE CC(=O)N1CCC(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1851602810 YTYKICFXHMTBQI-OAQYLSRUSA-N 415.490 1.440 30 10 HDEE CO[C@@H](C)[C@H](OC)C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851809135 SWNLMMYQOQPXOU-AAEUAGOBSA-N 402.904 1.383 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1snc(N2CCOCC2)c1C#N 1852517152 TZCRVXIRLHGSAQ-CQSZACIVSA-N 417.535 1.995 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1853385312 GVVRFTYOWSYGKO-UHFFFAOYSA-N 422.507 1.326 30 10 HDEE C=CCNCc1cccnc1C(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 1853581107 OARJESYNUJQDBN-UHFFFAOYSA-N 404.474 1.939 30 10 HDEE C=CCN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)[C@@H]1C 1854282326 GOJIFHFMJFFPMS-ZDUSSCGKSA-N 418.519 1.995 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1854781204 CMLFJROCPIPFEM-SJLPKXTDSA-N 409.552 1.360 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)C1=O 1854798749 JUCGEDYPNAKGPB-AWEZNQCLSA-N 423.395 1.570 30 10 HDEE COc1ccc(CC(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)cc1C 1855763724 SGMLMMNUHRXEEH-UHFFFAOYSA-N 413.455 1.779 30 10 HDEE CN(c1ncccn1)[C@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1856670527 DJDIIGWIFICUSV-HKUYNNGSSA-N 404.474 1.548 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1856725053 FNPGDXVJTCZSGW-WOJBJXKFSA-N 408.502 1.727 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)Cc3cccnc3Cl)C2=O)CC1 1857067119 DELOMPWFXGUKKU-KRWDZBQOSA-N 424.892 1.494 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2c(C)nn(C)c2C)C1)[C@H]1CCN(C)C1=O 1857076646 MMFCFTLCNMQUJB-SJORKVTESA-N 401.511 1.134 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1857225223 ZRPQEQGPQRKHEV-SJORKVTESA-N 416.547 1.943 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3COCCO3)C2)CC1 1857237228 WZNWZBHTHDJCDA-LPHOPBHVSA-N 412.490 1.313 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857264508 NZXMLZVVDZIDBS-CRAIPNDOSA-N 403.910 1.976 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870142433 CLTCIOAYNVHRMM-GFCCVEGCSA-N 416.397 1.771 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccn2C)cc1OC 1874238225 XFNVSRPBJGOAEA-SRZZPIQSSA-N 414.491 1.684 30 10 HDEE COc1cc(/C=N/n2cnnc2SCC(=O)NCc2ccco2)cc(OC)c1O 1874537775 WAZWAOBJRYLBLD-ODCIPOBUSA-N 417.447 1.885 30 10 HDEE CC(C)(S)[C@@H](NS(=O)(=O)c1ccc(I)cc1)C(=O)O 1882712369 AXLNMYKBPRJKND-VIFPVBQESA-N 415.274 1.731 30 10 HDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)O 1885479524 OBGFNVYAQHEDNK-QEJZJMRPSA-N 412.508 1.984 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(Cc2ccccc2)S(=O)(=O)N2CC(C#N)C2)C1 1957294145 KDCSJRDSYPXKIQ-UHFFFAOYSA-N 406.508 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1986145735 XJDZXQDCWBEHPZ-AVRDEDQJSA-N 414.506 1.595 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(N)c1 2044241787 JKTPUASKTRDXJP-DLBZAZTESA-N 400.460 1.876 30 10 HDEE C#CCC[C@H](NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811255 XZKSLGNGNKOIRK-FIKGOQFSSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CCN(S(=O)(=O)N2CCC(C#N)CC2)CC1 2174780842 YYHQVVUFJLNFGM-UHFFFAOYSA-N 404.508 1.796 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195307312 RTRVJYYTFATANK-ZDUSSCGKSA-N 403.545 1.501 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2197779879 WNQLSVHKILJLSZ-AWEZNQCLSA-N 401.529 1.951 30 10 HDEE Cc1nc(NS(=O)(=O)N(C)Cc2ccccc2)ncc1B1OC(C)(C)C(C)(C)O1 2243687500 XPHGHTZXCFSEEO-UHFFFAOYSA-N 418.328 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243701425 CVGDKAUYHHXPGB-CYBMUJFWSA-N 411.308 1.449 30 10 HDEE CC(C)CN(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258164076 MZJKGKYJEGQZKP-MRXNPFEDSA-N 411.480 1.567 30 10 HDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258184771 MIUISORRZCMDDF-ZDUSSCGKSA-N 424.397 1.746 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N2CC(S(=O)(=O)C(F)F)C2)OC1(C)C 2281805116 UHSLUYZVABCHQW-UHFFFAOYSA-N 407.269 1.509 30 10 HDEE C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329072 HOKVGFUAMMADMC-JSGCOSHPSA-N 400.375 1.760 30 10 HDEE C[C@H](O)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282333028 JNJFXBHDTOUVNN-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282423525 PSRJHHXWMCPVSA-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2CCC[C@@H]2O)OC1(C)C 2282488056 AGHUUZVQCPWCGD-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC(C)[C@H](CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503085 ULSRAGUJTBKYER-LBPRGKRZSA-N 404.363 1.269 30 10 HDEE C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282503783 GAWIXOFJDCRQED-SNVBAGLBSA-N 402.709 1.134 30 10 HDEE CN(CCN(C)S(C)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282635084 URCOMMJYGHNXQG-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE COC[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282836291 HZOCBADFWFADMI-GFCCVEGCSA-N 404.363 1.533 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2282847935 GXBHCNFNGUHZNM-NSHDSACASA-N 403.331 1.825 30 10 HDEE C[C@H]1CNC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852518 QEGXCSOEFMJPLO-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855477 FIOQXOOYALQCDN-AWEZNQCLSA-N 400.375 1.808 30 10 HDEE CCCNC(=O)[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858054 RFICYZYTVZHLLW-LLVKDONJSA-N 402.347 1.240 30 10 HDEE CSC1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC1 2282858180 SOLPDINUAORNHH-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)S(C)(=O)=O 2282879267 RCOBRXVOWWSNHJ-GHMZBOCLSA-N 423.387 1.147 30 10 HDEE CO[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282885133 YFSKXWQMWUVYBU-QWHCGFSZSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3NC(=O)C[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284423748 XBCDAVUSXKYCGL-QMMMGPOBSA-N 400.649 1.031 30 10 HDEE CCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2367297285 PIVQVBXUTGXGDK-NXOAAHMSSA-N 400.541 1.188 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@](C)(C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)C1 2367792230 MRBIXQDACBPUNL-QGZVFWFLSA-N 401.481 1.294 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)cc2C1=O 33110987 MQVNTUQYWHILSN-UHFFFAOYSA-N 421.413 1.734 30 10 HDEE C=CCOc1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)c1 66229043 HVUJTVSFRQEIHK-SFHVURJKSA-N 403.479 1.580 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(O)cc1 101442851 DOTOBEJFZPXAGC-LSDHHAIUSA-N 423.429 1.043 30 10 HDEE CCC[C@H](/C(N)=N/O)N1CCN(c2ncc(I)cn2)CC1 159146448 RDBMJBZQQHQEGA-LLVKDONJSA-N 404.256 1.118 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 301054538 AAMGSJIEPUHTOK-SNHHFFIMSA-N 418.486 1.099 30 10 HDEE C=CCN(C(=O)[C@H](C)S(=O)(=O)C1CCOCC1)c1nc(C(=O)OCC)cs1 429052385 FJGUJJSCLWKFMV-LBPRGKRZSA-N 416.521 1.821 30 10 HDEE CN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)S(=O)(=O)c1cccs1 435210069 GCACGEHWSHXZHY-UHFFFAOYSA-N 403.482 1.358 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C 461299683 HDALXCVQQVLGTF-SFHVURJKSA-N 403.446 2.236 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)cc1 473676516 NTKSVEXHEUPUHI-SFHVURJKSA-N 400.479 1.606 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCOc2ccc3c(c2)NC(=O)CC3)CC1 492875975 UWSNFWTXPUNCOD-UHFFFAOYSA-N 414.506 1.177 30 10 HDEE Cc1cc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n2ncnc2n1 505798688 GBWXMPOAEDDHRE-HXUWFJFHSA-N 413.482 1.343 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 509002423 QIFYDELCBPXDED-OLZOCXBDSA-N 412.541 1.417 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 511125821 XGRLXZQVIWZHBK-CYBMUJFWSA-N 410.565 1.793 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513787137 UKGHIEQQVSCYMS-KRWDZBQOSA-N 418.563 1.397 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)COc2ccccc2)cc1 522762348 DDJDIWHAEKIDDZ-SFHVURJKSA-N 424.482 1.593 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3)N3CCC(O)CC3)CC2)n1 544868134 YFKOEGIZEIHIQI-JOCHJYFZSA-N 405.502 1.800 30 10 HDEE COC(=O)CC1(NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCCC1 548099005 IFMNURUTMATLKS-INIZCTEOSA-N 404.536 1.922 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c1 548525616 HHAPGYFQJNWALG-UHFFFAOYSA-N 405.407 1.844 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4COCCO4)n3CC(C)C)CC2)c1C#N 549440057 JQFBNHAPGNXKFN-QGZVFWFLSA-N 414.514 1.262 30 10 HDEE C=CCOC[C@H]1NC(=O)N(Cc2nc(-c3ccc(Br)cc3)n[nH]2)C1=O 553037174 BYLNKXCGMKAHBG-GFCCVEGCSA-N 406.240 1.857 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 561289862 OOUPPZPIQCPFCP-LBPRGKRZSA-N 403.220 1.466 30 10 HDEE CSCC[C@@H](C=O)N(C(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](CC(C)C)C(N)=O 585672262 OBZLDJRCKKROTK-ULQDDVLXSA-N 401.573 1.586 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C 587405185 OBQIVSMQAARVKF-MJVIPROJSA-N 405.398 1.403 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 603441075 ZEMLBWOFVUOUJU-HNNXBMFYSA-N 420.510 1.230 30 10 HDEE CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 619105894 PVSZQZWHDUUNPC-NRFANRHFSA-N 421.501 1.822 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 673742609 KITDTRBRTSQDMU-UHFFFAOYSA-N 407.478 1.822 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)N[C@H](C#N)c3ccc(F)cc3)cnc21 727100276 MZMFADSDXDIXFO-LLVKDONJSA-N 419.214 1.413 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(=O)OC)C1 727159024 DEEUOMXMNIUCDH-HOCLYGCPSA-N 421.519 1.696 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 731475976 SWBCKSMKALXCNF-LJQANCHMSA-N 413.499 1.027 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CCN1C1CC1 732707075 UHNUOEPEYCNARW-HNNXBMFYSA-N 417.897 1.314 30 10 HDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OCC 734022917 NIGTZAWIAIIKHH-UHFFFAOYSA-N 411.476 1.758 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 746120736 UMKVFJROVMTKTJ-UFOSLELVSA-N 400.460 1.443 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)cn1 758534845 KFPZXBVXKDEQET-ZOBUZTSGSA-N 417.514 1.447 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2cccc(F)c2)CC1 766982412 BODFFVCRLROTID-VHEBQXMUSA-N 401.442 1.179 30 10 HDEE N#Cc1ccc(N2CCN3C(=O)OCC[C@@H]3C2)nc1N1CCN2C(=O)OCC[C@@H]2C1 767308761 OXBWVRWBMFPGDE-HZPDHXFCSA-N 412.450 1.015 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CNC(=O)c1cccnc1 767611006 DKIBEYOYKWVUNX-HNNXBMFYSA-N 410.430 1.699 30 10 HDEE C#CCN1CCC[C@H]1C(=O)Nc1nc(CN2CCN(c3nccs3)CC2)cs1 772568344 APKXMTJDWJXAMX-INIZCTEOSA-N 416.576 1.958 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)[C@H]1CCS(=O)(=O)C1 774241329 LLXSTYAZMZZJHL-KBPBESRZSA-N 418.475 1.638 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 774248301 QICDYWLBSWTZRT-HOTGVXAUSA-N 409.895 1.277 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(C(=O)OC)c(Br)c2C)n1 788368936 BVJCPXZKFYGNGD-UHFFFAOYSA-N 424.299 1.676 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)n1 788610051 ISKKDNYHLKNQRM-UHFFFAOYSA-N 419.507 1.246 30 10 HDEE COC(=O)c1sc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1Cl 788628197 RPKWZBPJRBJUIV-NSHDSACASA-N 403.913 1.857 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](NCCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 796819292 WIDONOSUFDICEF-YLIMMAJMSA-N 420.510 1.517 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)C1=O 799267075 BRKBSIKVDIIHFV-BXWFABGCSA-N 414.506 1.484 30 10 HDEE C[C@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC(=O)N1C 800525800 RBWUJTSWADBHBS-BPHPCYGNSA-N 407.496 1.194 30 10 HDEE C#CCN(C(=O)Nc1nnn(Cc2ccccc2F)c1C)[C@@H]1CCS(=O)(=O)C1 801808422 NWKCJCVSTDJOAY-OAHLLOKOSA-N 405.455 1.428 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC)CC1 801931573 HJCXBXKNHUXIQJ-UHFFFAOYSA-N 414.510 1.406 30 10 HDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 807194976 QNNDIYFQGSJEML-JKSUJKDBSA-N 410.515 1.525 30 10 HDEE NS(=O)(=O)c1ccc(C=NNc2ccc(-n3ccnc3)nn2)cc1Br 807985073 JLKGPKFVJPCOCI-UHFFFAOYSA-N 422.268 1.518 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cnc2c(Br)cccn12 808206512 JGPKBRKLNSISSJ-JQIJEIRASA-N 404.224 1.952 30 10 HDEE C#CCN(c1nnc([C@H]2COCCO2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 812357630 RAXMJPPTXHFQHS-GDBMZVCRSA-N 422.532 1.103 30 10 HDEE CN(C)S(=O)(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)CC2(C#N)CC2)c1 816059131 QMPQCNMSGGPVNI-UHFFFAOYSA-N 405.885 1.089 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1 816926023 HFCJGYBLCWHEIQ-UHFFFAOYSA-N 410.402 1.728 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 913109487 GKKFYNJIMUGXIN-UHFFFAOYSA-N 400.460 1.312 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)OC(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084302007 KQTFRNKFXUYDDW-UHFFFAOYSA-N 410.412 1.917 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cnn(-c3ccc(Br)cc3)n2)C1=O 1128500062 INORRHJBAIYHSG-OAHLLOKOSA-N 404.268 1.889 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2Cc2ccccc2)cc1 1131495611 JHIZXAHVGYLKDF-LJQANCHMSA-N 412.515 1.883 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCN3C3CCCC3)C2=O)cc1 1132134027 ZRNDOFKVDDTSLL-RBUKOAKNSA-N 409.490 1.896 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1134760889 QNFBCIZKPXQULX-KRWDZBQOSA-N 411.389 1.945 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)COC1 1138107894 FRQLJADRVASIPN-KBPBESRZSA-N 404.471 1.194 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1144551506 AQJSQZKJHMKUDN-HNNXBMFYSA-N 418.450 1.690 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)c3cccc(C#CCO)c3)C2)nn1 1153253691 NEJGBLSAKWHUEG-UHFFFAOYSA-N 411.462 1.344 30 10 HDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCN1CCO 1155026709 NSJVUOMIOJYUAB-BAQZJKQNSA-N 406.527 1.298 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@H](O)c1ccccc1)c1cc[nH]n1 1163900848 CLCPSNSKIMPQTI-YLJYHZDGSA-N 414.462 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C[C@H](O)CC#N)CC[C@@H]32)CC1 1171142614 GXTNOWFJQUJSAO-IKGGRYGDSA-N 407.515 1.129 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCCN(c2nc(C)cc(O)n2)C1)C(=O)OC(C)(C)C 1177879935 VHBPJAMAGKGOTM-HNNXBMFYSA-N 403.483 1.446 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 1196790400 UAFCYPBWYDUOFN-NRFANRHFSA-N 413.428 1.972 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)C1 1213680811 YZMGSFVRYNQNFL-AWEZNQCLSA-N 415.309 1.612 30 10 HDEE C#CC1(F)CN(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C(=O)OC)C3)cc2)C1 1214393221 KGDJRQRGOFYHOZ-CQSZACIVSA-N 423.466 1.449 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](C)S(=O)(=O)C2)cc1 1214686581 BAKCORNHSRKHJD-ZFWWWQNUSA-N 415.537 1.580 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)N1CCOCC1)[C@H]1CCCc2ccccc21 1225340971 CHQQEESFYBHRFH-IBGZPJMESA-N 405.520 1.371 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NC(C)C)c1 1286309207 ICYVXAAUAOGBTI-UHFFFAOYSA-N 419.489 1.854 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1286335233 HITZUZDAILGIHB-SFHVURJKSA-N 402.543 1.378 30 10 HDEE C#CCCCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1286335557 QYUBICYYKHPENO-UTKZUKDTSA-N 403.527 1.837 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286336112 VIAIOHRBZXLJNT-NRFANRHFSA-N 418.542 1.584 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286369506 RZUJEKHYPCWMAY-UHFFFAOYSA-N 422.489 1.286 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)(C)C 1286430948 LJYANDXCIHBLLA-IRXDYDNUSA-N 406.552 1.704 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC=CO1 1286463743 SMGURYDGHSNXPT-LJQANCHMSA-N 420.477 1.700 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N(C)C2CC2)CC1 1286494164 JYANXMULXCDUBA-QFBILLFUSA-N 414.554 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)(C(N)=O)C1 1286568507 ZWYVIYONEWYZTP-JLMWRMLUSA-N 410.522 1.947 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](CC)C1 1286818995 VXTIZWJROXWLSF-HNNXBMFYSA-N 410.569 1.611 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1288080512 SSRGMRSLNMVQBB-UTKZUKDTSA-N 416.526 1.884 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1288517764 FXZANOLETBASKZ-BFYDXBDKSA-N 412.498 1.368 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1291077330 ACPNNMRATJQFSW-QRWLVFNGSA-N 415.519 1.603 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC)cc1 1292524609 GAUXPIFQEDKLED-QGZVFWFLSA-N 403.508 1.671 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 1293070593 BCHRCOQQLPHUIK-OAHLLOKOSA-N 407.471 1.576 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccn2)CC1 1298543362 PJDDPIJUQNZAOZ-OAHLLOKOSA-N 419.482 1.249 30 10 HDEE CN(CCN1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1298740379 GVNGLNDRWNOHFK-UHFFFAOYSA-N 412.494 1.022 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1299161785 ANEPYYDXPSOQNY-UHFFFAOYSA-N 418.505 1.951 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(F)c(C#N)c1 1299487845 ZCGYVAOKXVHNPB-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300712320 OXGNXMBFCGVJSS-WBVHZDCISA-N 414.554 1.672 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3occc3[C@@H]2C(=O)OCC)cc1 1300829123 PKUCMHOUHBPZII-GOSISDBHSA-N 416.455 1.494 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1300989398 ASTUJBXFHPMWBE-XLIONFOSSA-N 424.567 1.780 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301037591 WPRWZIRRXWZMEP-CYBMUJFWSA-N 418.889 1.107 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)c(=O)nc1O 1301061782 ACRHAJSJXUHNGC-IAGOWNOFSA-N 409.446 1.068 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301510111 TZUKNEZDDKAEOM-IAGOWNOFSA-N 401.515 1.446 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCOCC2)C1 1301557194 NFONVFCBWLAZFI-RTBURBONSA-N 405.543 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)C1 1302436264 DQYDGCROUZRLDT-PVEYFEBJSA-N 413.522 1.972 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 1302597272 VKJLHPCSUXWRMU-UHFFFAOYSA-N 414.203 1.871 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1303946839 HRIITUUEOIEQJR-GCJKJVERSA-N 424.505 1.714 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NOCCOc3ccccc3)C2=O)cc1 1305277672 SNGJDUXJPKCUNA-GOSISDBHSA-N 408.414 1.890 30 10 HDEE C#C[C@](C)(CC)NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1307781284 GCKHJLXBSRZCDL-LJQANCHMSA-N 409.508 1.046 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)nn1 1312899011 XPGOUEPIMGPXJQ-OAHLLOKOSA-N 415.473 1.458 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCCC2(C)C)CCO1 1315014025 TZJAMLQMPOJGNJ-QZTJIDSGSA-N 424.505 1.583 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1316485300 FHIGJOVYTYOHTP-DJIMGWMZSA-N 407.540 1.735 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1OC 1323411201 HYUVVTNXCNZIMF-IWKHNONTSA-N 412.446 1.909 30 10 HDEE C#CCO[C@@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1352672966 YIFUFENBLWJWER-SEJMYLSOSA-N 402.428 1.606 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCCC1 1353644353 UPPHFKSXDIMJKB-UHFFFAOYSA-N 409.508 1.738 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(NS(C)(=O)=O)nc1 1353929337 GJNDPSWRTPPWFI-UHFFFAOYSA-N 401.492 1.529 30 10 HDEE C=CCc1cc(CNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)cc(OC)c1OC 1356305540 VJWJMQVMQTYLKW-INIZCTEOSA-N 404.463 1.460 30 10 HDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358932721 UNANHNMGJGPUSP-UHFFFAOYSA-N 412.538 1.351 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1358935317 FADBLMVLULBBJD-INIZCTEOSA-N 407.515 1.958 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1359024768 VIVALTHOCLEUEE-GOSISDBHSA-N 409.490 1.202 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCNC(=O)c1cc[nH]n1 1359065418 QBJUTMDBJIHMHB-FOIQADDNSA-N 415.498 1.147 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1359203601 RRPAJCCTURWTAK-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1359292280 MACYZTLKECEHFD-IRXDYDNUSA-N 404.559 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359297045 CHULBGCNNLRMLK-KRWDZBQOSA-N 415.542 1.133 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)C1 1359319486 AFWDETVHTAQCIV-COEMCCDRSA-N 407.540 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](COC)C1 1359331311 VHIMDFGQUXNFAO-MRXNPFEDSA-N 421.523 1.101 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1noc2c1CCCC2 1360644838 DLVKCVPSTVYQJC-OLZOCXBDSA-N 421.527 1.542 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1436603481 JIBTUXQOSRFATA-NRFANRHFSA-N 409.446 1.734 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2(C)C)cn1 1450229985 JWMQOKYZTDRNIJ-SFHVURJKSA-N 415.519 1.878 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)cc1 1452757626 PGCFCBIVYNLRCX-JZXOWHBKSA-N 424.519 1.628 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC([C@@H]2CCCCO2)CC1 1453533344 FAXJTNXXHNPYCD-KRWDZBQOSA-N 405.520 1.923 30 10 HDEE C#CCC1(O)CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1455189638 NHABDUABSRJDMG-NDEPHWFRSA-N 412.552 1.511 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1455928011 RNOXPYLJXJTINH-QGZVFWFLSA-N 408.520 1.687 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CCOCC1 1464124909 OYQHSUHZZPUOAH-GOSISDBHSA-N 414.549 1.424 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466078258 SBPADORAQMNJBW-AQZMIJIOSA-N 423.510 1.810 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](CS(C)(=O)=O)c3ccccc3)CC2)c1C#N 1466921111 DCJPZUCKNMWNFQ-SFHVURJKSA-N 415.519 1.077 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]cc2C(=O)OC(C)(C)C)cc1 1469446078 LEGJKEDYYIIMHK-UHFFFAOYSA-N 404.448 1.529 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C1CCOCC1 1470311951 MDSXIYVLXGFPQZ-RBUKOAKNSA-N 424.588 1.940 30 10 HDEE O=C1C[C@@H](CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 1470516621 FBWGYMSATSNNAW-PRJMDXOYSA-N 409.277 1.935 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)C2 1471144302 LLSCSHSZGVSKLC-AWEZNQCLSA-N 407.352 1.349 30 10 HDEE CCN1CCN(C(=O)CC2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)CC1 1471570240 AKAKDRSAOQCFDE-UHFFFAOYSA-N 405.543 1.283 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H](CO)[C@@H](CCO)C3)C2)C1 1472395165 YDFWIPYTMANIEM-AOSSAHENSA-N 407.511 1.223 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)nc1 1475653879 BVRGHGQHUPYRJA-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)N2CCOCC2)cs1 1492664483 KWTFVCCLQXZCGW-CQSZACIVSA-N 417.539 1.479 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1505323490 FMGJBIZVTXODKR-RTBURBONSA-N 402.543 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1507512729 GIMNVDQWMISYNP-KRWDZBQOSA-N 400.527 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1507539566 WOPJKANRGQDWJQ-JKSUJKDBSA-N 410.540 1.081 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1507590409 DLWKOAKNIAHRTM-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1507633115 CMVJOCAGIASTHJ-INIZCTEOSA-N 423.583 1.266 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@@H](C)C1 1507805918 LMRCIFNLVZGJRW-ZWOKBUDYSA-N 403.527 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508080690 CXZOVHSMPWQNHR-QGZVFWFLSA-N 423.477 1.825 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2F)CC1 1508082938 XWPOEXNNIIQTPR-UHFFFAOYSA-N 424.484 1.447 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1508087703 PFVBUSCMHWGKBK-ZNMIVQPWSA-N 404.515 1.171 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 1508094114 NCHHMBKYOHZMPE-INIZCTEOSA-N 410.522 1.750 30 10 HDEE CCCNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1515086219 SGXWSVUXZLZIND-URLQWDBASA-N 408.478 1.360 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1518749032 GFUIYRQBGZSTRP-OWCLPIDISA-N 401.398 1.915 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1518752660 UVEYNGBILLCIKL-GOSISDBHSA-N 402.474 1.570 30 10 HDEE C=CCC1(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CCOCC1 1523309419 VUHONZAYVKQFLG-UHFFFAOYSA-N 401.511 1.335 30 10 HDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1525883903 KKISAFJSTBDXOO-YJBOKZPZSA-N 417.491 1.262 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](C#N)C3CCCC3)c2)CC1 1536414562 BEMGJDVSSBZFFY-IBGZPJMESA-N 418.519 1.352 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)COc1ccc(C#N)c(Br)c1 1537944180 IFJGQESKCAKUEZ-GHMZBOCLSA-N 403.298 1.980 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3ccccc3Br)CCC2)C1=O 1538042936 AZUXTSROISDDHE-UHFFFAOYSA-N 420.263 1.921 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1539194724 FZBAYFBVZRILHV-UHFFFAOYSA-N 411.384 1.614 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1539216726 WMPGUATVSBFKIU-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1539318001 KSWUQNGQTADHRN-FQEVSTJZSA-N 403.486 1.813 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1539362329 XPFUQTMCKWXYJB-UHFFFAOYSA-N 402.462 1.433 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1539428920 YBKUPSOZDKZPRQ-PGRDOPGGSA-N 414.554 1.617 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539621820 TUVMFSZNAAVWAP-KURKYZTESA-N 412.556 1.598 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1540187566 QUSUBQKMJHQFAQ-HXUWFJFHSA-N 420.535 1.923 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1540470810 FNLJWUQTGWODED-RTBURBONSA-N 404.536 1.502 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc(C)c1C#N 1540659103 UIMBYHUDMZHYLU-UHFFFAOYSA-N 402.476 1.927 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1543675608 RRIGUUBKVCHECP-UHFFFAOYSA-N 411.424 1.983 30 10 HDEE Cn1cc(Br)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1543775627 QFNGUVCKNZQCMV-LBPRGKRZSA-N 402.252 1.724 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554244417 XXHUBJARQXUWJE-AMGRQBIBSA-N 400.483 1.230 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)n1 1554351108 HIUGWDDTTXXZLO-UHFFFAOYSA-N 408.466 1.114 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1555270047 NRHXBAXZAOGBGH-INIZCTEOSA-N 416.457 1.272 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCn2ccnc2C1 1555556578 DONAZVNOOJCKLM-HZPDHXFCSA-N 412.498 1.055 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@@H]21 1557351999 KWHAHAQUCSWCLM-LLKIIMBPSA-N 424.501 1.405 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)c2ccc(C)cc2)CC1 1558072865 GYBUQOUFIBAPAS-UHFFFAOYSA-N 419.547 1.596 30 10 HDEE CC(C)C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C(=O)N1CCOCC1 1564973827 SGWQBVHLXCGDAI-ROUUACIJSA-N 415.494 1.389 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1583062149 ZMDBBKFHSSMNMN-IBGZPJMESA-N 411.483 1.476 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 1585148600 DHUXCAHTQSITEC-OAHLLOKOSA-N 415.309 1.272 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)n1 1586565727 ZBDUPHVJOOKCSD-CQSZACIVSA-N 406.533 1.466 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1587300088 HPOSFCYAECTRDH-CQSZACIVSA-N 421.247 1.836 30 10 HDEE CNC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1587728286 QHSVAYMWKWCAHO-ZGOJQLDESA-N 404.511 1.758 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccc(OC)n2)CC1 1587838363 RXOWXSJTUVILEX-UHFFFAOYSA-N 406.494 1.822 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588024658 ISNZTZJULWRWAU-GVDBMIGSSA-N 421.567 1.479 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1588647411 UYXJEBHFHPVOLU-OAHLLOKOSA-N 423.926 1.363 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1593682818 DJICCSIZSMJVII-GHTZIAJQSA-N 405.543 1.807 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@@H]2C1 1594449457 YYUQMMTXMYOCEV-KRWDZBQOSA-N 402.543 1.637 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1594784408 YVZATQAGCCMHQW-RDJZCZTQSA-N 412.556 1.982 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1594825428 ZWAUHUHWVFQAFT-UHFFFAOYSA-N 413.526 1.543 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1594856570 HKJHVRBQMLGICM-CHWSQXEVSA-N 416.548 1.424 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCN(C)C1 1595205301 QVYGLOCOVGYIHU-HXUWFJFHSA-N 400.483 1.251 30 10 HDEE CCO[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCOC1 1595533053 IKNBZIBUULAFBY-LIRRHRJNSA-N 415.469 1.956 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1596591035 HJZUVYLIRJDFMA-UHFFFAOYSA-N 419.493 1.346 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCC2)CCOC1 1610901269 COMNYFLQFQCFKJ-UWJYYQICSA-N 418.542 1.532 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(F)(F)F 1611664292 BDVMIZXPQNVSTD-LLVKDONJSA-N 416.429 1.959 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1612877579 CPCXPWOTNXPEQU-VBKZILBWSA-N 412.519 1.352 30 10 HDEE CCOCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1Cc1ccc(C#N)o1 1616940840 NOTXEMIGHPGSLV-INIZCTEOSA-N 400.483 1.486 30 10 HDEE COCCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1620039080 MGCRNQMPVGEQKV-GOSISDBHSA-N 423.477 1.481 30 10 HDEE COC(=O)[C@@](C)(Cc1ccc(F)cc1)NCCS(=O)(=O)c1ccc(C#N)cn1 1620540771 YPZDNAYBGCAXFB-LJQANCHMSA-N 405.451 1.630 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3cncn3C(C)(C)C)C2)C1=O 1623618492 OTJIASPBIQVSBK-AWEZNQCLSA-N 401.467 1.321 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H](c1ccccc1)N(C)C)c1cc[nH]n1 1625652281 YCUVUVGFHCMBBE-AUUYWEPGSA-N 401.467 1.501 30 10 HDEE C=C(C)CN1CCC(NC(=O)Cn2nc(Br)c(Br)n2)CC1 1628372799 LVPIXFGXTOZLTC-UHFFFAOYSA-N 421.137 1.960 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)cn1 1630613744 CMFXSDLCFGGCSW-HXUWFJFHSA-N 404.474 1.586 30 10 HDEE Cc1nc2n(n1)C[C@@H](NC(=O)C1CN(c3ccc(Br)cc3C#N)C1)CC2 1632334947 CHVLIJVXCMXYAU-HNNXBMFYSA-N 415.295 1.788 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1633141370 XPTIIYUUXTVCMY-ZDUSSCGKSA-N 418.437 1.749 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1635029317 CCZMSQCBPNIDDC-DMAKZNTKSA-N 408.499 1.873 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H](C)C[C@H](C)[C@@H](C(=O)OCC)[C@H]1C)c1cc[nH]n1 1637764414 AAFXTWGLHMEOAN-ZOMKSWQUSA-N 422.482 1.518 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1638197488 REJNQEIYFKBKPY-GOSISDBHSA-N 413.474 1.728 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)OC)C3)s1 1642419477 AVMPXYRUPLPOQR-CFVMTHIKSA-N 412.533 1.555 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(C(F)(F)F)cc2)CC1 1644285648 UTGOSZWHQJAJPU-CQSZACIVSA-N 417.453 1.496 30 10 HDEE C#CCC1(NCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CCOCC1 1644565983 ADOYQXRLROVHSJ-UHFFFAOYSA-N 411.546 1.889 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1644595481 CDRGYRMAQULQOD-UHFFFAOYSA-N 407.467 1.556 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C1 1644638406 QJKUFKXALFZALZ-IBGZPJMESA-N 403.548 1.935 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1645717245 GBIXNGFTNRGWAQ-MRXNPFEDSA-N 401.872 1.019 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2cc(Cl)sc2Cl)CC1 1650846174 MJSRUOXQJJJHPC-UHFFFAOYSA-N 424.375 1.989 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCn3cnc(C(F)(F)F)c3C2)cc1 1651077670 VJQYJIILPVTQFT-UHFFFAOYSA-N 413.381 1.094 30 10 HDEE C=CCO[C@H]1CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 1652994456 UGIXEYIQSZRWQY-MSOLQXFVSA-N 401.463 1.676 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](c3ncc(Br)cn3)C2)CC1 1654777579 DVHSMSBDZAJIGM-HNNXBMFYSA-N 406.328 1.196 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@@H](C#N)C3)c2)CC1 1658995122 AGFQZKWTESEMTN-INIZCTEOSA-N 405.524 1.780 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1659573840 ABDQDMAHNOEFKP-MRXNPFEDSA-N 422.507 1.326 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C 1659672377 IXYXAMWZGRTXNR-NSHDSACASA-N 408.885 1.920 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1 1666233196 OUROADIKGRAFLP-UHFFFAOYSA-N 414.325 1.783 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 1667291667 ANBUYITUBKGHGO-UHFFFAOYSA-N 406.508 1.355 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2C)C(C)(C)C)CC1 1670063902 XCQZJQDRXUHQTD-SFHVURJKSA-N 406.552 1.877 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 1670329823 HKZBSCRIKVQZJQ-UHFFFAOYSA-N 416.503 1.977 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1671470160 BAVSBZJUEWDBGZ-AEFFLSMTSA-N 409.508 1.735 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1672951578 AFXGUAHBGHYVPY-QZTJIDSGSA-N 403.479 1.868 30 10 HDEE N#CC1(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCCCC1 1674485662 RTZDIVIIIUZASU-UHFFFAOYSA-N 415.519 1.937 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CC1 1675189287 PVRVPABEWMBYQH-HNNXBMFYSA-N 406.508 1.502 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1)C1CCOCC1 1684035292 IDKKGFRVAGYDGG-NVXWUHKLSA-N 405.499 1.423 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1684847637 LQYANPVFXLYJPE-WRWLIDTKSA-N 404.488 1.501 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 1687205746 GCTBSJKBHNIPGR-IEBWSBKVSA-N 401.507 1.908 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(O)nc1=O 1687568210 SFJLIHJTAIIXDL-UHFFFAOYSA-N 411.466 1.002 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1689850783 HKXRPKHKDGJVHQ-DLBZAZTESA-N 421.567 1.431 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689984490 QEUDSZQAWZBZMW-HOCLYGCPSA-N 405.524 1.423 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](F)COC)CC1 1690113342 HFRQAHHGPQYGRS-PXNSSMCTSA-N 409.506 1.058 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1690345678 ANKGXAYBJNDFNE-QLFBSQMISA-N 401.964 1.852 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690360950 CHWOIPNWJJWFDQ-UGUYLWEFSA-N 400.907 1.995 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690667305 YWBROVDTSBYSDO-INIZCTEOSA-N 409.494 1.112 30 10 HDEE C=CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1690752553 LTUHHHRZDBOSGD-FQEVSTJZSA-N 421.567 1.660 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1692657132 DKPATPRRHVVJHP-HOCLYGCPSA-N 422.468 1.957 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(N(C)C)cc2)CC1 1705639307 LKCQMKGBKAVYIM-HXUWFJFHSA-N 408.550 1.846 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1705829290 MHSVDBFSPPKFCX-SFHVURJKSA-N 402.543 1.887 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705891616 NLEUGMRQDDZVSO-LSDHHAIUSA-N 402.524 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](COC)C1 1705896090 BLZQLEBDTZYLQY-AWEZNQCLSA-N 400.439 1.628 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)noc2C)C1 1705917267 VGFNXAYRTKQJIV-DZGCQCFKSA-N 424.527 1.323 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2occc2C)C1 1705925125 LKJKSKSJKHYPKM-HZPDHXFCSA-N 406.508 1.911 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H]1C 1710277245 APVNOPVMJPHTEL-OAHLLOKOSA-N 402.524 1.392 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCOc2ncccc2F)cc1 1712879545 DXJCSOQYIOQXTO-UHFFFAOYSA-N 407.409 1.366 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCOC2)cc1 1712879633 HZUUQFRJNKCVMR-KRWDZBQOSA-N 424.505 1.714 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722366377 IHAJURXOEQZLRC-INIZCTEOSA-N 420.539 1.428 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1722387883 QBLWYGCTLCZJBW-UHFFFAOYSA-N 424.549 1.816 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCSCC2)CC1 1722435869 WDMRAFWJKDGSQL-UHFFFAOYSA-N 414.554 1.888 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2ccnc2C)CC1 1722574780 RSXUHECQJNAJHZ-OAHLLOKOSA-N 421.571 1.886 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722598687 OAYNZOALZXXGGE-MSOLQXFVSA-N 404.559 1.930 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722604294 XMLQBYUPDUOISS-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1722639004 VUDHBZOBENMWAV-QFIPXVFZSA-N 424.505 1.839 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOCC1)C(C)C 1722665513 MWLONYKUCWCGFQ-QZTJIDSGSA-N 402.543 1.764 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1722674650 RWIQIFUELZJSQK-YWZLYKJASA-N 416.482 1.104 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncn(C)n1 1722681023 FMYKOSLVKQAENZ-QGZVFWFLSA-N 411.466 1.606 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1729636359 BFNLVWHWEHNZDY-SVMVAKDDSA-N 424.505 1.319 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCCO)C1 1731181829 QGKYHVVWFABKDH-IBGZPJMESA-N 403.414 1.515 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1740610318 WXAMXCSKSUMYGX-QGZVFWFLSA-N 401.536 1.558 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1740611385 BXUDEAVDTPOSAY-KRWDZBQOSA-N 404.465 1.689 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1nncn1-c1ccccc1 1740629255 HHLBVNMNFNQETJ-UHFFFAOYSA-N 402.462 1.118 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740648870 TWKIHIBSZOQGLM-GOSISDBHSA-N 409.490 1.804 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NC)c1 1740678785 SIQXIJFZCZXFQA-UHFFFAOYSA-N 424.505 1.008 30 10 HDEE C=C(Br)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740748269 CQWKUDJJMANYAF-BLLLJJGKSA-N 414.304 1.150 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1740758515 YKZNCZIQQGJFPW-JZXOWHBKSA-N 417.510 1.600 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1740817857 WFNXVJDZWSODQK-GJZGRUSLSA-N 412.922 1.606 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1740955786 GMBROSYSAXZXFC-KRWDZBQOSA-N 417.535 1.651 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1)S(C)(=O)=O 1746312461 WWOVRJIOHRKWCA-QGZVFWFLSA-N 424.571 1.931 30 10 HDEE CCS(=O)(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1747411363 OMJZUCGNQBPHIQ-YJBOKZPZSA-N 413.544 1.567 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C)(C#N)CC1 1748296615 ARHLIGHCJZKMDB-UHFFFAOYSA-N 423.568 1.313 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1748825911 IGNAELORUKKOMQ-AWEZNQCLSA-N 419.482 1.157 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncn(C)n1 1748892573 RMXDFILUFNXLIK-GOSISDBHSA-N 403.446 1.430 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)C(=O)NCC)CC1 1748980058 XREZKSICAXJWJB-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CC(N)=O 1749142064 OCZYVMHVJFKIKD-SMYFESCOSA-N 421.542 1.683 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749269320 PUSCJMXKKMEPPT-STQMWFEESA-N 417.919 1.210 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H]2C)CC1 1749329887 UXBWCUMTPTZORK-JKSUJKDBSA-N 410.588 1.775 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749650778 HEUDZLDEYFDWJA-DLBZAZTESA-N 417.558 1.676 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1749873137 AMXQBMPBXGXJEA-UHFFFAOYSA-N 420.521 1.675 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCCCC1 1750417675 HLYIRWMKKYDMIK-QFPXGYFVSA-N 400.483 1.689 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CCOCCS(C)(=O)=O 1751092049 WOJODLVJNLDQKB-CQSZACIVSA-N 409.487 1.884 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)N(C)C 1751121953 DTXWFSHLKHHGFC-UYAOXDASSA-N 423.565 1.925 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760190075 XYASOKBKSJBMKX-KURKYZTESA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1760201063 ZQIFLCWIWNXWOV-UHFFFAOYSA-N 414.473 1.088 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1760206126 RHPQYSIMHBZXTA-UXHICEINSA-N 423.517 1.830 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1760219824 PFOJBUVEASFPIL-ZWKOTPCHSA-N 424.526 1.819 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1760280139 NFWAIEWXCJLPJM-OAHLLOKOSA-N 424.530 1.784 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)CC1 1760396775 IQQSRNJKSUFKAF-NRRJATNASA-N 415.585 1.202 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1760432347 HZOPVPOXNBCKOH-HOCLYGCPSA-N 407.544 1.930 30 10 HDEE C=CCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760513418 XDDYFKFVFDDELV-SFTDATJTSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1 1760522634 XYSPCNZDFGAGLX-AWEZNQCLSA-N 423.564 1.489 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760523406 XHCOWAOSPZXBNP-GOSISDBHSA-N 422.493 1.437 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1760524981 PNDGALYARTZPNU-QFIPXVFZSA-N 410.522 1.442 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)C)C1 1767847158 HIWCWYBKVKJPEO-QGZVFWFLSA-N 402.524 1.848 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CCC2)CC1=O 1769070211 CJDFFIYSIQVXML-LJAQVGFWSA-N 412.519 1.396 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1770786531 LBEGFGYADNWINV-ZACQAIPSSA-N 414.441 1.736 30 10 HDEE CN(CC(=O)ON1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(Cl)cc1 1772786653 XDFCYLFONNHOBJ-UHFFFAOYSA-N 408.819 1.715 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCN(C)C1=O 1848777097 VFUUQRIQOSSGSQ-AWEZNQCLSA-N 403.863 1.003 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC(COc2ncccc2C#N)CC1 1849581617 AVKZMXAFTQNLKY-KRWDZBQOSA-N 406.508 1.385 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)cnc2c1C#N 1851754013 AXXMHHZKYSHFNO-UHFFFAOYSA-N 419.489 1.832 30 10 HDEE C#CCN(C(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)C(C)C 1852270299 RUWSWQOHFJTMLO-HXUWFJFHSA-N 401.532 1.680 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3cnn4ccc(C(F)(F)F)nc34)CO2)nc1 1852595279 VUKXYPXLNNMRHC-LLVKDONJSA-N 404.308 1.992 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(COc3cccc(C#N)n3)CC2)C1 1852982808 QYBPNEJMMVNWSG-INIZCTEOSA-N 406.508 1.242 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853948675 QUHUNFGKWKRXCJ-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C1 1853953245 UQHPYFLEEKOBKO-LLVKDONJSA-N 407.345 1.208 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(-n3cccc3)ccn2)C1=O)[C@@H]1CCN(C)C1=O 1854208948 BSWOCLZDTJYEJW-MOPGFXCFSA-N 407.474 1.332 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](N(C)CCC#N)C3=O)CC2=O)cc1 1854242581 PWOVAMWUICZUMG-VQIMIIECSA-N 412.490 1.801 30 10 HDEE Cc1ccn2c(=O)cc(CN3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)nc2c1 1854460743 IMCZFEFDIKXZKR-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1854464139 SABCTPMBOSWOAT-UHFFFAOYSA-N 411.430 1.742 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CC(=O)c3ccc4c(c3)OCCO4)CC2=O)c1 1854585036 UJDJXPOJICSKRZ-UHFFFAOYSA-N 405.410 1.497 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1 1854942118 WOQDVPQQRPFCAI-FUHWJXTLSA-N 414.506 1.755 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cn(C)nc3C(F)F)C(=O)C2)C1 1854957798 OALYYXVHLTUBET-KBPBESRZSA-N 408.453 1.409 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854957983 RMJSYEGRKRQFSH-KRWDZBQOSA-N 408.462 1.280 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856249169 JNQBAWXTHSOKMA-VQTJNVASSA-N 408.502 1.880 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)c2nccnc2N2CCOCC2)c2ccccc21 1856967971 XMEZKZIXRMJFBQ-UHFFFAOYSA-N 406.446 1.610 30 10 HDEE N#Cc1cccc(NC(=O)CNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 1873867477 YFAKGOQLTRMIPL-UHFFFAOYSA-N 421.457 1.753 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889391085 WUPKZGZPFMUKGI-CVEARBPZSA-N 411.487 1.789 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](CCO)NC(=O)OC(C)(C)C 1893341582 GJHBNMWIJZGPRC-AWEZNQCLSA-N 401.504 1.849 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(Br)cnc2NN)CCN1Cc1ccccc1 1914891712 LKJFMQQCFSODBT-OAHLLOKOSA-N 415.295 1.980 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1993309753 LGLVFZHXPKYNLE-LQZXRHCMSA-N 424.498 1.376 30 10 HDEE C#CCN(CC(=O)Nc1nc2ccc(Br)nn2n1)C(=O)OC(C)(C)C 2060536994 OCINRHQAYIRIAN-UHFFFAOYSA-N 409.244 1.696 30 10 HDEE C#CCN(C1CCNCC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089837097 DDKZFOJBLSYZLK-UHFFFAOYSA-N 417.531 1.470 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC[C@H](C#N)C1 2174781376 FKNNEDBKSMYZLI-RBSFLKMASA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CC(C#N)C2)CC[C@@H]1C(F)(F)F 2174782991 XDVLKQCKCUKQAW-RYUDHWBXSA-N 412.434 1.464 30 10 HDEE C[C@H](NC(=O)C1(S(C)(=O)=O)CC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186634041 GVWXEUSJDTUZCP-JTQLQIEISA-N 400.331 1.197 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@@H](O)C1 2243389558 VIQIUASRQKKVTQ-KBPBESRZSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@H]2C1 2243430481 RPCYWVDHOHPDRH-KFWWJZLASA-N 406.288 1.372 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)co2)OC1(C)C 2247778364 AROWAMFKNKMQCL-NWDGAFQWSA-N 414.189 1.566 30 10 HDEE COC(=O)C1(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247827829 DKEVIJZPDQTLGL-QWHCGFSZSA-N 424.303 1.747 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2248247322 QSKRLHZJTXJEDP-HJWRWDBZSA-N 418.303 1.587 30 10 HDEE CCc1nc(C(=O)N2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)s1 2267174475 FMEZRRFCNQTLFK-UHFFFAOYSA-N 408.329 1.984 30 10 HDEE Cc1nc(=NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)s[nH]1 2267363778 NZUOYZGBAURSAC-UHFFFAOYSA-N 401.344 1.738 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2267714614 MBMNOZDWLIKBIK-UHFFFAOYSA-N 409.313 1.513 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](N)[C@H](CO)C3)c2Cl)OC1(C)C 2281936544 OHEIYEJEQYLRNB-CMPLNLGQSA-N 400.737 1.482 30 10 HDEE CCc1nc(C(=O)NCC[C@H](C)[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282030830 KZHFYCKXRWUCHP-KPHLJTLVSA-N 400.375 1.892 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1(C)C 2282329099 HWXGYYDIWVVYEL-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C 2282330048 UYOAWTJDCAZGFS-BETUJISGSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCCC[C@H](N)C3)c2)OC1(C)C 2282346502 WQDVBTXWZSQYMW-AWEZNQCLSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)C3CC3)c(Cl)c2)OC1(C)C 2282499819 FZNFMFYNNUZIFP-CQSZACIVSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CCO)C2CC2)OC1(C)C 2282506959 ZULMOXUIIORHDZ-CQSZACIVSA-N 401.359 1.628 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC3(C2)OCCO3)n1 2282590327 ZTBGKHPOULYOEQ-AWEZNQCLSA-N 405.304 1.618 30 10 HDEE Cn1cc(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2282594132 AHVFJKHFAJNLIP-CQSZACIVSA-N 405.304 1.335 30 10 HDEE CN(C)C[C@H](O)CN(C)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642034 HZQYVLNLNIMCHY-NSHDSACASA-N 402.753 1.695 30 10 HDEE C[C@H](O)C(C)(C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846928 QXDFXNXFRUVRHB-NSHDSACASA-N 404.363 1.269 30 10 HDEE CS[C@@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853389 CCSKNECNYNDVTP-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CN(C(C)(C)C(N)=O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282873222 IJQLMHLLNNJONI-UHFFFAOYSA-N 402.347 1.073 30 10 HDEE C[C@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876011 WZQDIEIWJFZKKX-GXTWGEPZSA-N 400.375 1.689 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCCC[C@H]2N)OC1(C)C 2282883658 DFHQCYNCKFKKRW-KGLIPLIRSA-N 400.375 1.986 30 10 HDEE COC(=O)NC[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2286119319 FAEYCZJNPHVGLE-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE N#Cc1cc2c(n(C[C@H](O)CCCN3C(=O)c4ccccc4C3=O)c1=O)CCOC2 2294829452 YCJARHVFKORKFS-MRXNPFEDSA-N 407.426 1.230 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207865 ATFUFSSJROMJNT-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367792287 NEVYUNFDWOKDBF-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCOC1 2367807568 VBJQFXJJUFLXLS-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 2367826478 YUUPRLKZYBMYHH-OAGGEKHMSA-N 400.541 1.306 30 10 HDEE C#CCNC(=O)CCN[C@@]1(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2379458681 GPVYEZSTQGCYMB-AVRDEDQJSA-N 415.490 1.606 30 10 HDEE COc1cc(/C=N/Nc2nnc(SCc3nnc(C)o3)n2N)cc(OC)c1OC 20920233 DYJLRPCLERUKDP-CNHKJKLMSA-N 420.455 1.447 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C)CC1 27902496 WKGQJGBPWYDMHA-MRXNPFEDSA-N 402.495 1.028 30 10 HDEE C#CCN(CC(=O)N(CCC#N)c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 111191685 GNDILEORCUEKHB-GOSISDBHSA-N 403.504 1.454 30 10 HDEE CCN(CCC#N)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 410147065 GXXJSKTYHVHSRM-UHFFFAOYSA-N 413.301 1.804 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)c2nc[nH]n2)CC1 439457041 POKFIHGRGBUGTN-YLJYHZDGSA-N 421.530 1.954 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCSC[C@H]3CCO)n2)c(Cl)c1 442080863 IKSHIFBFCGWVBE-CYBMUJFWSA-N 419.894 1.662 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 446336684 KFESDIGUYRBVJX-ZESOOZHZSA-N 407.470 1.885 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(C)=O)cc(C(F)(F)F)c2)CC1 471477247 UUAQZFMGFFRWBF-UHFFFAOYSA-N 412.412 1.724 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc(OC)c1OC 474008945 KAHZPVLPXNKSGO-UHFFFAOYSA-N 418.538 1.738 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C 491599192 OXXBTJJXAXSCMZ-UHFFFAOYSA-N 412.540 1.784 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Cc3ccc(O)cc3)C(=O)OC)cc2C1=O 498548060 XKZDPCWOLKDMCS-MRXNPFEDSA-N 422.437 1.936 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(Cc3nccn3C)CC2)cc1 500239070 WAVLVGWVNOXZBW-UHFFFAOYSA-N 410.522 1.883 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 507299476 BROKVTYJZKFFJR-YVEFUNNKSA-N 416.521 1.261 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 508464476 MMZQOENZXBKSAF-LDDOYCOJSA-N 413.544 1.237 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(Cc3ccccc3)[C@@H](C#N)C1)C2=O 510117725 RISRDDLEXWGDGV-YZOUICBYSA-N 423.517 1.724 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1 513786181 BHZKGLQMKHCXJX-UHFFFAOYSA-N 419.528 1.338 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCC(=O)NCC(F)(F)F)CC2)c(F)c1 561502355 WFXRPTKVLTXIRG-UHFFFAOYSA-N 402.348 1.929 30 10 HDEE CCc1nc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 610808931 HHFJYYVXKSSBSE-BBRMVZONSA-N 417.491 1.924 30 10 HDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1OC 619569781 ORSFGTOMTWKGAV-QGZVFWFLSA-N 421.457 1.425 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 619736803 YGKXPMDUNPDQDI-UHFFFAOYSA-N 404.474 1.606 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCN)cc1 703978314 NNDJNVGMUBIOAP-OAHLLOKOSA-N 411.483 1.273 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2c(C)cc(C)nc2O)cn1 726114508 ZKCJONXPLNPPDJ-HNNXBMFYSA-N 416.507 1.888 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCN1C1CC1 732698648 CQOTVOCVKWLKHO-LJQANCHMSA-N 423.521 1.344 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1csc(N2CCCC2)n1 734233632 NEGOWYPELQWDAJ-UHFFFAOYSA-N 419.532 1.141 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCC[C@H]2O)CC1 745332655 VPFWURNAGDHQTL-UKRRQHHQSA-N 414.418 1.159 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccccn1 747642491 XBSKIQFMGPOCCO-IRXDYDNUSA-N 416.503 1.529 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(F)c2)c1=O 748065153 IMOFEEAITTVMMA-UHFFFAOYSA-N 404.438 1.707 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 754071273 OSCSFAJLNOSLKA-INIZCTEOSA-N 412.537 1.036 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCc2cnc(C3CC3)nc2)[C@H](C#N)C1 758604183 LNYSHWUVGDONKR-HZPDHXFCSA-N 400.483 1.955 30 10 HDEE N#Cc1cccc(N2CCN(C(=S)NCCc3ccc4c(c3)OCCO4)CC2)n1 760501361 HNXMPYZPKPYZSB-UHFFFAOYSA-N 409.515 1.964 30 10 HDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Cc1ccccc1 762002129 FUVLALVCMYMGAY-OAHLLOKOSA-N 413.499 1.822 30 10 HDEE C=CCNc1ncc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)s1 770106651 DTEBFJGSQILRNP-UHFFFAOYSA-N 420.516 1.944 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 774025437 LKLMXWDMOYOOTD-DLBZAZTESA-N 405.476 1.458 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1)[C@@H]1CCS(=O)(=O)C1 774239207 BUWCKBGQYWXCAT-DZGCQCFKSA-N 418.475 1.638 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776840304 YRWLFUJJTKKYIO-INIZCTEOSA-N 415.494 1.581 30 10 HDEE COc1ccc(F)cc1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777824414 FJZUSFCOQUWWNS-GFCCVEGCSA-N 405.451 1.968 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2SCC(N)=O)n1 788571037 JHJSOEWMDITZTJ-UHFFFAOYSA-N 401.492 1.774 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)ccc2F)n1 788695716 ZTFRXWUQUUHJRW-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)n1 788868470 GJUMAHQNWQLRKO-HNNXBMFYSA-N 401.433 1.559 30 10 HDEE C[C@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)n1cnc(C#N)n1 791290800 XNLLRCMHRXOKBB-SNVBAGLBSA-N 402.212 1.797 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1 791495477 ZGTDSJJWTYPLDZ-HNNXBMFYSA-N 422.453 1.457 30 10 HDEE C=CCN1CC[C@H](OC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)C1=O 798575679 CDENNTDMULLRFI-KRWDZBQOSA-N 410.492 1.426 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 800787406 BNPIZQOPHXSAHP-OAHLLOKOSA-N 410.500 1.038 30 10 HDEE COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802360285 VDBABGRDSVVHGD-QGZVFWFLSA-N 410.478 1.539 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 805230081 HTYJBCPVMNCCOZ-ZTFGCOKTSA-N 404.463 1.914 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 809896882 SZYRSONDTCJQGS-GJZGRUSLSA-N 422.530 1.591 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 809907209 BPCBZQBNDQEAIA-MRXNPFEDSA-N 412.494 1.948 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccoc3C(F)(F)F)CC2)o1 811442560 QYPXTQXFFDVCGS-UHFFFAOYSA-N 412.324 1.972 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1=O 816640121 VIAYFOCJDBTFGJ-MRXNPFEDSA-N 413.478 1.159 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCn2cnc3sccc3c2=O)cc1 916777728 QFEIASGBPJUPGX-UHFFFAOYSA-N 402.457 1.366 30 10 HDEE N#CCOc1ccc(CC(=O)N2CCn3ncc(I)c32)cc1 1129000846 GZMATUVUYDWNOM-UHFFFAOYSA-N 408.199 1.979 30 10 HDEE CN1CCC(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)(N2CCOCC2)CC1 1129847318 FLUUFUMOICLXGR-UHFFFAOYSA-N 400.523 1.628 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 1136630554 TYKFBYARZBTFKF-SJKOYZFVSA-N 407.879 1.994 30 10 HDEE Cc1nnnn1-c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1F 1143512025 CZADTAFYFJQGGA-UHFFFAOYSA-N 418.385 1.799 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)c1 1148289405 ZYKWTNTXGFOCRA-HXUWFJFHSA-N 406.504 1.935 30 10 HDEE C#Cc1ccc(C(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)cn1 1154771454 DOXIEWRICQUYJO-QGZVFWFLSA-N 401.463 1.981 30 10 HDEE CN(CC(=O)N[C@H]1CCCN(O)C1=O)c1cc(Br)ccc1[N+](=O)[O-] 1159642170 UOILRFHBJWXBOI-JTQLQIEISA-N 401.217 1.290 30 10 HDEE N#C[C@H](C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)c1ccccc1 1165471054 IAWUZSAFOVCZLP-HOTGVXAUSA-N 413.503 1.844 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1 1175210567 CDLBTCBJBOMEAA-SFHVURJKSA-N 411.428 1.418 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2)[C@]2(CO)CCOC2)nc1 1194278703 AGPPDECCVZBWEX-FQEVSTJZSA-N 401.488 1.381 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)c1[nH]cnc1CCN2CC(=O)NC1(C#N)CCC1 1196421669 ZUOQPWRGKGMFPK-NRFANRHFSA-N 414.510 1.666 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1 1213924521 YCWOITZADXNLCY-IAGOWNOFSA-N 421.519 1.985 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(CNC(=O)C(F)(F)F)o3)CC2)c1C#N 1269303384 OWTPODYBPVMTNY-UHFFFAOYSA-N 424.383 1.334 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1286298477 KDBWOQGFYSJOEN-FIKGOQFSSA-N 416.547 1.936 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1286409023 HSUNYLLDYFSKSJ-RBUKOAKNSA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2ccnc21 1286460789 JRCRYRGLRASKBG-KRWDZBQOSA-N 411.510 1.374 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)CC)CC1 1286490997 ACAKMCOZBQZPKU-QFIPXVFZSA-N 410.522 1.391 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1CC1(O)CCOCC1 1286763301 WQSVWCBNBFQLJP-UHFFFAOYSA-N 417.510 1.786 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286775330 CWCBMQGWEPWIQW-UHFFFAOYSA-N 422.493 1.507 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CN2CCOCC2)CC1 1286779516 UWHCIWAXGDNYDZ-OALUTQOASA-N 405.543 1.737 30 10 HDEE COc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)ccc1C#N 1297523379 BWIJBFCYZNNPAB-IEBWSBKVSA-N 411.433 1.527 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 1298552633 JFEQNZHATMAXIT-SJORKVTESA-N 417.491 1.181 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccccc2F)n1Cc1ccc(C#N)o1 1298741829 BSPCTAFNRUDPCV-UHFFFAOYSA-N 418.454 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300312400 ZLSKEIVAHDABGS-OAHLLOKOSA-N 410.522 1.588 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300407870 FFJNQUXALRJCCZ-KRWDZBQOSA-N 409.556 1.351 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300770797 ZIAXIGRODMIHSV-MRXNPFEDSA-N 424.530 1.762 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1301277929 DJYDRLBWQIBPQX-LJQANCHMSA-N 407.540 1.979 30 10 HDEE COCCOCCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1302237769 KYHGVACWHOABRA-HXUWFJFHSA-N 407.515 1.722 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(COc2ccccc2C#N)o1 1302831253 AMDGAOPACIQPGR-HNNXBMFYSA-N 400.387 1.765 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1)c1cc[nH]n1 1303319087 AYOOWASAALAWSD-CQSZACIVSA-N 416.482 1.946 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cccn2)CCOC1 1303504236 GELLJPZQJJARQB-YLJYHZDGSA-N 415.498 1.334 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cccc(O)n1 1304009595 ASVDOZILBFKOKU-MRXNPFEDSA-N 416.503 1.899 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1309541381 BCPFGRCJQGPQSB-IBGZPJMESA-N 407.536 1.520 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1313922468 WSJVYOQVXIJBLQ-GOSISDBHSA-N 423.569 1.206 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@H]1O 1315110123 UEMKEZMNFHANRC-ZTFGCOKTSA-N 412.494 1.127 30 10 HDEE COc1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1OC 1318514717 CLKVYLIAZLRZEH-FBMGVBCBSA-N 404.423 1.038 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(Br)c(O)c1 1321581903 BWITUTUKTJNPMS-UHFFFAOYSA-N 410.249 1.832 30 10 HDEE C[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN(C)C(=O)OC(C)(C)C 1322734278 HOQRZVFPLTZDRW-PVEMMZBWSA-N 409.487 1.315 30 10 HDEE COC(=O)c1ccnc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 1354818568 RDCMKTYKHFSKQD-XLNRJJMWSA-N 416.459 1.933 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(C)(=O)=O 1358991320 VTGMMELCWVZUOO-UHFFFAOYSA-N 409.515 1.944 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(C)(=O)=O)CC1 1359173117 VSKZXNULEDMOKE-UHFFFAOYSA-N 404.496 1.372 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1359238216 CKQIFHNIPZPBJQ-OYHNWAKOSA-N 424.505 1.837 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1)C1CC1 1359246541 DYYLUDYOYCEELA-NRFANRHFSA-N 419.526 1.332 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359299912 POCTYCVIJRHTNI-MSOLQXFVSA-N 420.558 1.021 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1443910058 JVHMLQWXNLWAIH-QWHCGFSZSA-N 409.936 1.563 30 10 HDEE CCO/C=C\[C@@](O)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1450334835 CMNKNXJIBBVKEV-ZQMJAJRESA-N 424.372 1.696 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 1450523325 GJOUAFMPAMMLOB-CQSZACIVSA-N 417.443 1.818 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 1453844313 XJYVXNOULFPMEP-CFINBHSISA-N 422.572 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCO[C@@](C)(C#N)C2)CC1 1456476124 BUYXQLDZGQQPTI-IBGZPJMESA-N 404.471 1.605 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 1459801481 KJRWGGVQFXWHBN-HXUWFJFHSA-N 415.534 1.898 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCc3ccc(C(N)=O)nc32)ccc1F 1461389580 MKLZFFMQBMERIQ-UHFFFAOYSA-N 418.450 1.377 30 10 HDEE CCOC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)on1 1464266218 GIDCOXAOYCJZPF-LTGZKZEYSA-N 420.447 1.916 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)n1 1466940860 FANBYOWMGITTNP-UHFFFAOYSA-N 415.475 1.437 30 10 HDEE C=CC1(CC(=O)NCc2ncccc2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1467776257 KVDFHSVBUNNQBM-UHFFFAOYSA-N 409.508 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1(C)C 1469007277 CPEKJYIMVSLPTF-CYBMUJFWSA-N 405.455 1.115 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1471266960 YIYKUHUCBGKPOI-GJZGRUSLSA-N 406.483 1.588 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)cc1 1478686137 QIWLYUMGYPINFJ-NDEPHWFRSA-N 406.504 1.684 30 10 HDEE CC(C)C#CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1490163242 NYTSYNDBXLFDDO-SIFVSHMBSA-N 400.519 1.583 30 10 HDEE COCCN(C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1504848132 OUCJTJVTBOAUMD-HNENSFHCSA-N 402.499 1.620 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)c1 1505314027 PSABOZVTDLPKOS-QZTJIDSGSA-N 410.478 1.324 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1507554008 KIROVRGPKWDOJO-UHFFFAOYSA-N 415.542 1.558 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1507613634 OIHNNLDXTMXCBT-HOTGVXAUSA-N 416.526 1.946 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1507613636 OIHNNLDXTMXCBT-JKSUJKDBSA-N 416.526 1.946 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634183 MACDYYTWYFZDRG-NQIIRXRSSA-N 416.547 1.765 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507688509 BZGJUPVOJRQFJX-HKUYNNGSSA-N 410.522 1.910 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)N(C)C)CC1 1507727102 NOSWPYJWINRRRF-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CCc1cnccn1 1508141393 MZFNWUZHPGOHPX-INIZCTEOSA-N 420.539 1.242 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1508663672 KEVSARLBVOEXNG-HOTGVXAUSA-N 420.514 1.816 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1519326678 JDGNQZWHVICFAX-QINHECLXSA-N 407.515 1.672 30 10 HDEE C=CCN(C(=O)CCN1CCCS1(=O)=O)[C@H](Cc1ccccc1)C(=O)OCC 1529014799 OCRSDVRBLVUUEO-GOSISDBHSA-N 408.520 1.601 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OC 1535347485 UOKURQJPHUHUIY-RVKKMQEKSA-N 424.519 1.722 30 10 HDEE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536419732 XONDJXJMEWHVTA-HOTGVXAUSA-N 411.462 1.136 30 10 HDEE N#C[C@@]12CN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1538539878 OCKGORQVDORTTJ-XPTSAGLGSA-N 403.338 1.624 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 1538844610 UBIXCKDERIZVJN-HXUWFJFHSA-N 405.520 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1539014241 LPIBPJOOMUECDL-CABCVRRESA-N 418.567 1.545 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1 1539021236 HMLLMXKEEKDUSZ-PMACEKPBSA-N 409.582 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1539037058 ATRSZVFJHGBNSL-BXWFABGCSA-N 413.526 1.826 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1539161627 JEFIEVYOESDSIC-UHFFFAOYSA-N 419.493 1.249 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1539216291 PYCQFNJHJSEDQT-INIZCTEOSA-N 411.487 1.654 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539218940 ALVYBBXJLKURDY-SZMVWBNQSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539219206 BLPYAGQHDYSVHX-ZACQAIPSSA-N 424.592 1.552 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1539259498 DBDQZGCBFSVVCI-SJORKVTESA-N 414.510 1.463 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1Cc1nnnn1CC1CC1 1539273278 NJYOHOGSFZLOEH-UHFFFAOYSA-N 400.490 1.581 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1539344221 XYNQZMDBWFTBJY-OAHLLOKOSA-N 412.519 1.944 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCCNC(C)=O 1539400609 IPGNCZUSNNIRRX-UHFFFAOYSA-N 423.315 1.648 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1539518431 ZPLHITWIKNTDFG-OAHLLOKOSA-N 410.565 1.306 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CC2)CC1 1539533818 VFYSOBXZHMRCML-OALUTQOASA-N 419.595 1.901 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539669025 JBHCLIJUGMGWBA-DLBZAZTESA-N 411.572 1.999 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1539891648 HWDYJAMGQYXHEJ-HXUWFJFHSA-N 417.535 1.216 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1CC 1540186380 BRMPOQGMWCUHOM-MRXNPFEDSA-N 410.482 1.717 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1540201222 QSQBHZFMCYCWNI-RCCFBDPRSA-N 424.567 1.800 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(=O)OC)C1 1540867802 IICFZUWOELFDGV-ZDUSSCGKSA-N 403.870 1.900 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2C)C1 1540883748 DPFVDZGQCCRREX-JXFKEZNVSA-N 417.514 1.277 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)C1 1541988614 WKAXSYDEDZVQOJ-UWJYYQICSA-N 416.526 1.840 30 10 HDEE N#CC1(CC(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)CCOCC1 1542663338 HJWOJZLLDAZRKG-UHFFFAOYSA-N 404.898 1.815 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1542724744 DMSOQTWYTZDPRF-MRXNPFEDSA-N 403.446 1.525 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2cc(C)on2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367937 XJYLWCDQUAOHFU-MRXNPFEDSA-N 421.379 1.951 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](C)n2ncnc21 1557480973 KUGVABIZPCRGGH-CFVMTHIKSA-N 416.507 1.554 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(C)c2Br)CC1 1558075518 WVRRNXFSXOZJEY-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE Cn1cc(-c2cc3c(nn2)CCN(C[C@H](O)COc2ccc(CC#N)cc2)C3)cn1 1560038114 GSIDMSAZIDYXBL-IBGZPJMESA-N 404.474 1.741 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@H](c3nc(C)c(C(=O)OCC)s3)C2)CC1 1560110977 DVTOWCFTSMSEQZ-INIZCTEOSA-N 404.536 1.195 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)CC)CC1)c1ccc(Br)cc1 1564999955 QUGQMDKMOQXMPT-HNNXBMFYSA-N 414.325 1.800 30 10 HDEE CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565629669 FRWMYWIOLJIZSC-DCOQFNDQSA-N 408.499 1.959 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CO)Cc3ccncc3)C2)C1 1567764050 ZJVBHWGSFJBDPH-IOANDJKRSA-N 414.506 1.888 30 10 HDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CC(=O)NC1=O 1583782464 BRWTUZVWPQWCML-AANAODBRSA-N 404.467 1.037 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1OC 1585387430 MDYSSMSKDLSVCA-INIZCTEOSA-N 403.460 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1587626287 JTNRXGOVEDZCKF-JKSUJKDBSA-N 421.505 1.773 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1587639450 LVHKHRADUHYQBP-IRXDYDNUSA-N 401.536 1.974 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(F)F)cc1 1587909477 LTOAPFSYBWFZRJ-LBPRGKRZSA-N 413.450 1.607 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1588985122 OLCCEDDCGYTIEU-BBWFWOEESA-N 421.567 1.616 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 1593752494 LVHKWNHIBOWILT-YDJIHCHBSA-N 409.421 1.939 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N(C)c3ccc(C#N)nc3)cc2[N+](=O)[O-])CC1 1616305021 NSDYHXMWMJTRFV-UHFFFAOYSA-N 408.418 1.807 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)CC1 1623498966 LEHFKFWLSNRPKH-VQHVLOKHSA-N 401.463 1.142 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCN(C4CCC4)C3=O)C2=O)cc1 1623759298 AVDKLXZMWQZHAL-DLBZAZTESA-N 409.446 1.033 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(=O)OC)cc(Cl)c2Cl)C1=O 1624333816 OXFJYQIQTIOSML-UHFFFAOYSA-N 414.201 1.695 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1624465704 SQLDFYRTOUKFAR-GJZGRUSLSA-N 416.544 1.361 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2=C3CCCN=C3NN2)n1 1626530203 OOPDYJNRGARFKD-UHFFFAOYSA-N 402.509 1.293 30 10 HDEE Cc1cc(C(=O)NCCCn2c(=O)ccn(C)c2=O)c(C)n1-c1ccc(C#N)cc1 1626755433 ZOFNOONDFNLQLY-UHFFFAOYSA-N 405.458 1.646 30 10 HDEE C#CCN(CC(=O)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1628676362 BXTGSWDXQRGLNJ-QGZVFWFLSA-N 421.519 1.468 30 10 HDEE CN1C[C@@H](N(C)C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCC1=O 1628809926 BZVNQSLVGCVYKU-HNNXBMFYSA-N 405.296 1.836 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2oc3ccc(F)cc3c2C)CC1 1631760885 XWXCLEZVXHTMKQ-UHFFFAOYSA-N 408.455 1.175 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)C(=O)OCC 1632067755 XCDRDYYZHFOUJY-SWLSCSKDSA-N 418.899 1.150 30 10 HDEE N#CC1(CC(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCOCC1 1632399327 QVTPJCFBRFQABN-SFHVURJKSA-N 404.898 1.721 30 10 HDEE COC(=O)C[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOC1 1632507409 ZFLAQOIKTWCHKR-HOBGOZEFSA-N 421.494 1.612 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccccc3CC#N)ncnc1-2 1632970828 BFLUEISNQRZDHG-UHFFFAOYSA-N 414.267 1.407 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 1635151833 VBXFYVJSXYAPLD-UHFFFAOYSA-N 408.476 1.021 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3csc(S(N)(=O)=O)c3)CC2=O)cc1Cl 1636049453 DTTYGBVWTVIHBY-SNVBAGLBSA-N 424.891 1.912 30 10 HDEE CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H](C)S1(=O)=O 1636136547 HPPQFIHRPVQIPN-RYUDHWBXSA-N 402.469 1.161 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1636632221 TVISDFMTZFPSNO-CVEARBPZSA-N 407.511 1.981 30 10 HDEE N#Cc1cccc(ONC(=O)c2cc(S(N)(=O)=O)c(Br)s2)c1 1642625815 ZUCNQLZGDSAFNY-UHFFFAOYSA-N 402.251 1.753 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 1643519876 JKYODZCVNNNWCF-CPCISQLKSA-N 402.266 1.992 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644909140 HAPFAAXYZZJJRA-AWEZNQCLSA-N 401.492 1.255 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1646304376 CPCPRKBLYRWHCY-YRGRVCCFSA-N 402.900 1.415 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(N2CCCOC2=O)CC1 1647998856 TUWVUZKXKRKFDA-CQSZACIVSA-N 420.491 1.058 30 10 HDEE C[C@@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125859 SLEKPDRSSIKUML-QYNIQEEDSA-N 418.306 1.554 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)cc1 1651707743 YRWQHJSPEIXVEX-SFHVURJKSA-N 420.531 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)[C@@]3(C#N)CCCOC3)n2)CC1 1654390335 SKVGEBUKTBVKHX-GOSISDBHSA-N 405.459 1.121 30 10 HDEE N#C[C@@]12CN(CC3CCN(C(=O)OCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1660309469 GALHVNIAIHFVIW-FPOVZHCZSA-N 417.531 1.905 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C1CCN(C)CC1 1668326300 ZWMNNVVVGWACIM-INIZCTEOSA-N 406.552 1.737 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)C2=O)cc1 1671576688 NRPTXCVPGOUKNH-FGTMMUONSA-N 416.503 1.415 30 10 HDEE C#CCOc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1674518988 OYGYWIRYEZIDCA-CZDRUDQFSA-N 420.487 1.719 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1682226037 AZRHWIPLJFTNLX-PDOICOKGSA-N 413.522 1.456 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689837617 JIJKEPNAXNVNLK-AWEZNQCLSA-N 420.473 1.568 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1690059387 PDEGUXIXRODIPB-BEFAXECRSA-N 411.572 1.679 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1690072823 VPEDOYHBLUALCI-INIZCTEOSA-N 404.474 1.997 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCC(=O)N(C)C)CC1 1690146651 SXTUVNXAJUJURP-UHFFFAOYSA-N 402.543 1.311 30 10 HDEE CCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1695891059 RMPJHDUHAKIICS-QBNCKDSPSA-N 415.542 1.533 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1695962380 GGRJVRHECDJKKM-QGZVFWFLSA-N 423.477 1.374 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1698238509 DJWBNTSYQSTZBM-NEWSRXKRSA-N 418.542 1.463 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705659688 CYBSJFRNAIGCEN-FQEVSTJZSA-N 416.551 1.727 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1705819077 CPGBKZGDQDWJMI-OAHLLOKOSA-N 413.544 1.192 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705825478 UWPUXMIDCNCUOH-HZPDHXFCSA-N 404.515 1.857 30 10 HDEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O)C1CC1 1705853641 CJJUJGSEWXQOCF-KRWDZBQOSA-N 419.507 1.495 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705898916 BXLIXEZWASHDSN-LJQANCHMSA-N 422.533 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2)C1 1705917142 VAMFNSPZXCSPLU-RHSMWYFYSA-N 423.514 1.857 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705947869 ZUTKGXBMSPQWRB-UHFFFAOYSA-N 423.546 1.840 30 10 HDEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1709693332 FDDQFSIJHLKNBA-UHFFFAOYSA-N 408.466 1.786 30 10 HDEE COCC1(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCC1 1712189697 DDQQAURQIGVHFB-MRXNPFEDSA-N 402.499 1.450 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(S(C)(=O)=O)CC2)c1 1722307630 RQDLPAFQTFMXRM-UHFFFAOYSA-N 415.519 1.474 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCC(=O)NC(C)(C)C)CC1 1722432250 XOFOFDQIWJYCIN-QGZVFWFLSA-N 420.558 1.062 30 10 HDEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722549976 CEJZOQCSAVUNBC-MRXNPFEDSA-N 424.977 1.961 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1722690036 DCNUVQOQKJWDOL-UHFFFAOYSA-N 411.510 1.129 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@H](C)CC#N 1722698247 CFSOTCRUFBZJAF-MRXNPFEDSA-N 423.525 1.493 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722868894 FEWDBRGTOFFPBI-QINHECLXSA-N 402.499 1.334 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1723887981 XBCQMQUVGJQSCV-CYBMUJFWSA-N 400.464 1.722 30 10 HDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)COCCO1 1724042312 AVAGWYREOQFIBC-NRFANRHFSA-N 413.478 1.761 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OCC)CCOC2)C1 1728940214 DZOYNIWWYVFADS-MUAOVLSHSA-N 407.515 1.599 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1740616557 CLSVHHPSOJALOA-LJQANCHMSA-N 413.547 1.666 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(N(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740617715 WEHQZIPOVWSCGI-QGZVFWFLSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(C)=O)cc1 1740644476 HRBNEQUWGDSKJV-UHFFFAOYSA-N 406.490 1.886 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1740644698 PWIZZNYTLLKPDF-INIZCTEOSA-N 424.471 1.763 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1740676496 DUXKWVFJOAWJBZ-QGZVFWFLSA-N 422.468 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCCC=C)CC1 1740709191 CGCJUXXVVYGLNO-GOSISDBHSA-N 401.511 1.688 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740886405 GFBQGXGGYFQMQZ-OAQYLSRUSA-N 416.526 1.638 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C#N)CC1 1741711258 GACAAWHBDVIUCI-UHFFFAOYSA-N 405.528 1.351 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1748688136 YPLJOLXDFJSIPN-HNNXBMFYSA-N 418.519 1.901 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1748747162 CUKXZBAQSWYQCH-CVEARBPZSA-N 400.527 1.774 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)Cc1ccccc1 1748766777 XUYXBOSUGPAVRA-DLBZAZTESA-N 418.567 1.478 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1748811743 KNPPUZAEISAVOJ-OAHLLOKOSA-N 407.565 1.663 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)COCCO1 1748829096 TWVBDMXHSLDWCY-GOSISDBHSA-N 418.295 1.914 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(-n2cncn2)nc1 1748842290 JTMBLSDSLMLGGM-UHFFFAOYSA-N 409.457 1.745 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccc(F)cc1 1748959080 MVIXEJBITMGNTA-OAQYLSRUSA-N 412.469 1.811 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2c(C)cccc2C)CC1 1748988811 BVFAKQZKDYZEEX-IBGZPJMESA-N 422.533 1.793 30 10 HDEE C=C(C)Cn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749207653 PIEPXNHZDKJWBN-OAQYLSRUSA-N 403.527 1.955 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749236042 ZQCNDVRUCBBMAO-IAGOWNOFSA-N 416.526 1.241 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749406222 DXUHPGDBSCMGBF-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1749489128 RMJFJBQMJIGTJU-HNNXBMFYSA-N 406.508 1.868 30 10 HDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCC(=O)N(C)C)o1 1751490681 WXXDXUSSLDBGLT-UHFFFAOYSA-N 421.461 1.860 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760188011 YVZYKXXHBRDNAV-QGZVFWFLSA-N 417.535 1.555 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1 1760321898 LJORBLMZVKTFAC-YVSFHVDLSA-N 410.540 1.387 30 10 HDEE CCc1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763042870 LVVSVTKDHPTJNS-DVSFIDLUSA-N 424.509 1.713 30 10 HDEE CC/C=C\Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765340980 FXZLASQVCBEWLW-CWIOURORSA-N 406.494 1.789 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(CC)C(C)C)CCOC1 1767481103 AMVPCOCFNXYYGH-XLIONFOSSA-N 406.531 1.389 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN2CC)CCOC1 1767481160 BHHQMKLERIZHQG-SQGPQFPESA-N 404.515 1.143 30 10 HDEE CN(C(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1768417312 BVWVHICLQJMGSF-QGZVFWFLSA-N 409.494 1.860 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1768543353 DDDDCVYOEXHYDZ-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1771353376 HYIANYPOICTDSE-UHFFFAOYSA-N 403.508 1.460 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772787086 VZWXYHSXEHJSPC-UHFFFAOYSA-N 403.435 1.730 30 10 HDEE COC(=O)C[C@@H](CC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 1772788758 GFNUTTRLTRUWAH-NSHDSACASA-N 406.391 1.587 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)ON1C(=O)c3ccccc3C1=O)C2=O 1772792351 LLCKKMCFKWZQMA-XUSGNXJCSA-N 413.430 1.878 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC(COc2cccc(C#N)n2)CC1 1849152478 DZMLSECFQJLKPJ-KRWDZBQOSA-N 406.508 1.385 30 10 HDEE N#CCOc1ccccc1C(=O)O[C@@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1850544608 IVRYRZWJHFIVAG-MJGOQNOKSA-N 419.437 1.758 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)Nc3cccc(Br)c3)CC2)n1 1851307220 PTNNSBDZGZSNSS-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1c(C#N)cnn1-c1ccc(Cl)cn1)CC2 1852860199 KRWZBSPSCVCPAT-LLVKDONJSA-N 409.837 1.630 30 10 HDEE Cn1cc(C(=O)N2C[C@@H](CN3CCC(C#N)(c4ccccc4)CC3)CCC2=O)nn1 1853814624 CISAJFRLHBOPHX-QGZVFWFLSA-N 406.490 1.751 30 10 HDEE Cc1cnc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)cn1 1854201465 AUVDQKQYFCGNLH-IBGZPJMESA-N 404.474 1.216 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C1=O 1854478402 ZIEWWSFRHFDNMC-IBGZPJMESA-N 407.474 1.497 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn([C@H]3CCOC3)c2)CCN1Cc1ccc(C#N)cc1F 1855015630 WXXYKCQVCUSVMM-KSSFIOAISA-N 411.437 1.728 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1=O 1855375708 SUNMRSDBRPEKEH-SJLPKXTDSA-N 400.479 1.613 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN(C)CCC#N)CC1=O)n1nc(-c2ccccc2)ccc1=O 1855713484 QLGZXZFSFZCFBD-IAGOWNOFSA-N 407.474 1.692 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1 1855745701 OOHIKYUQMNXFNR-HUUCEWRRSA-N 402.882 1.913 30 10 HDEE Cc1ncccc1C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855910224 AUNVALDPXOOKEJ-QGZVFWFLSA-N 404.474 1.468 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CCN1CCC#N 1855930129 NHDARRXOAAYCON-AWEZNQCLSA-N 412.446 1.131 30 10 HDEE COc1nn(C)cc1C(=O)N1CC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856463341 GPPKFHOWFDVCOU-KRWDZBQOSA-N 408.462 1.316 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2=O)CC1 1856571988 MTWMOVLHMAWTRH-LJQANCHMSA-N 413.522 1.877 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4ccncn4)C3=O)CC2)n1 1856971321 VIWYGLIWHQJGJB-SFHVURJKSA-N 406.446 1.275 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)Cn3c(=O)oc4ccccc43)C1)CC2 1857231125 RDIMZGRLCLDEQS-CVEARBPZSA-N 408.458 1.595 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)CCn3cnc4ccccc4c3=O)C2=O)CC1 1857379901 HLJXSKNXMDGAFG-LJQANCHMSA-N 407.474 1.540 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(CC)nn2C)[C@H]1c1cc(OC)c(O)c(OC)c1 1864959996 UCHVYPPHSHEJRQ-OAHLLOKOSA-N 414.462 1.702 30 10 HDEE N#Cc1cccc(NC(=O)CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 1868133219 XUBRPDLQPWIDCM-UHFFFAOYSA-N 412.471 1.857 30 10 HDEE N#Cc1cccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1F 1882497390 IYRXPYNYOJGSFW-MRXNPFEDSA-N 420.418 1.992 30 10 HDEE CCCn1c(C(=O)NCC#CCN(C(C)C)C(C)C)cc2c(=O)n(C)c(=O)n(C)c21 1889959869 ICIDHAXBJQLMJK-UHFFFAOYSA-N 415.538 1.301 30 10 HDEE COc1ccccc1OCC#CCNC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1891002263 JUCYXLFCSSZGTB-UHFFFAOYSA-N 423.381 1.398 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C 2118170463 QYCMKAYGPGZNRY-SHZVTRLKSA-N 408.546 1.431 30 10 HDEE C=C1CC(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2126535692 IFNGLAHSEZWKIU-UHFFFAOYSA-N 420.487 1.649 30 10 HDEE CCN([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174785189 WGQMKNFKQOXNMJ-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197739610 CMNSPDZBBINFRJ-KBPBESRZSA-N 401.529 1.807 30 10 HDEE Cc1cc(CN(C)C(=O)[C@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2202311890 LNDDBHVLTCBWSJ-LBPRGKRZSA-N 401.359 1.747 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2243421938 UDBDQBSHEFZQCP-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE C[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247816879 HAWXMEQUDBYDBS-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCc3ccn(Cc4ccccc4)n3)[nH]n2)OC1(C)C 2247825287 BDFHDZQJVPSUPD-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CC1(C)OB(c2cc(N(Cc3ccccc3)CC3(O)CNC3)ccc2N)OC1(C)C 2248036674 FJVURLFXIZGTOJ-UHFFFAOYSA-N 409.339 1.909 30 10 HDEE CN(Cc1nn(C)nc1Br)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266065283 IKZLCNKZJIDSKN-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE C[C@H]1NCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353744 MSYKDQUOYFHTTL-KOLCDFICSA-N 406.766 1.729 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371076 VEBOYBNASVSDMG-VXGBXAGGSA-N 405.372 1.456 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267469266 SJIHQASMUWDMJH-VIFPVBQESA-N 410.128 1.952 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712978 JLJJMXZTBVHVSO-QWRGUYRKSA-N 404.388 1.029 30 10 HDEE C[C@@H]1CNC[C@@H](C)C1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338979 VEXJUQFSJMQOHZ-VXGBXAGGSA-N 400.375 1.570 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H](CO)C2)OC1(C)C 2282493894 WCXDIQIXNYAKNG-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CC1(C)CNC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495228 JQTHLAQENXBIQZ-ZDUSSCGKSA-N 400.375 1.465 30 10 HDEE C=C(CS(=O)(=O)N=S1(=O)CCC2(CCN2)CC1)B1OC(C)(C)C(C)(C)O1 2282502695 OSYQXXIXLKSJDS-UHFFFAOYSA-N 404.363 1.498 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511976 QCXNOZAARNVHEG-RUZDIDTESA-N 422.765 1.902 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C3OCCO3)CC2)n1 2282550283 XCTURJPSDKQNND-UHFFFAOYSA-N 402.300 1.914 30 10 HDEE CO[C@@]1(CO)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282621830 XMCJMPRCTLEWGB-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(F)(F)C[C@@H]3CN)c2)OC1(C)C 2296499317 GBNIQLVEXPIXGQ-LLVKDONJSA-N 408.301 1.404 30 10 HDEE CC(=O)N1C(=O)C(=C2SC(=Nc3ccccc3C(N)=O)NC2=O)c2ccccc21 2314557069 LFVVFOOJQXOUCV-UHFFFAOYSA-N 406.423 1.940 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(O)c(OC)c1 2331260671 YRORQYNBZNBLGE-UHFFFAOYSA-N 407.496 1.682 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365203406 SRBHWVCAQHSAAO-XTDOFWJNSA-N 400.541 1.603 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(CCN(C)C)C(=O)OC(C)(C)C 2365212337 PUOGMMVMFIEFPB-INIZCTEOSA-N 403.589 1.590 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365255893 ZZNAUOFJRLLSGU-GOSISDBHSA-N 405.513 1.978 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](CNC(=O)OC(C)(C)C)OC 2367787637 LTRIHCGEPDMSDJ-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)[C@@H](C)C1=O 2372873782 VOXHYUHCVLCFRU-HTAPYJJXSA-N 415.490 1.961 30 10 HDEE CCCNC[C@H](O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 43414886 FTZHQMWELNLNFM-JTQLQIEISA-N 405.192 1.810 30 10 HDEE COc1ccccc1-c1cc(C(=O)NCC#CCOc2ccccc2C(N)=O)[nH]n1 90743870 MJERZVLWECKCCC-UHFFFAOYSA-N 404.426 1.996 30 10 HDEE C#CCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 251660879 KUGRXTLUWHTJPM-ZWOKBUDYSA-N 419.547 1.361 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)n1cnc(C#N)n1 409890636 YMSLSTDYOLWMAA-YGRLFVJLSA-N 403.240 1.173 30 10 HDEE Cn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431226817 XTRYJUDVLXLMFP-UHFFFAOYSA-N 401.557 1.931 30 10 HDEE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440304455 GTXDEGJYKFGNHN-HNNXBMFYSA-N 418.457 1.932 30 10 HDEE CCS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466434439 QIZVGTADVHGZOM-UHFFFAOYSA-N 419.528 1.863 30 10 HDEE CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1c(C)nn(C)c1C 482403261 SSLBLPCFXHJILT-SUMWQHHRSA-N 403.508 1.843 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 484934544 IXSCNLFZXAAJDI-IBGZPJMESA-N 400.456 1.779 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cc3ccnc(O)c3Br)CC2)n1 486139742 UXVKYEDADKPLDO-UHFFFAOYSA-N 402.252 1.708 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 487167070 UIHCYTNDCDRYOL-KBPBESRZSA-N 413.430 1.916 30 10 HDEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C(=O)CC#N)CC1 503647118 ZNIFRAVJLXSTAO-SNVBAGLBSA-N 413.297 1.213 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)CC1 522845020 WVDZSUUGKKYWLE-UHFFFAOYSA-N 411.462 1.984 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2OC)c1=O 523088901 RPXLSKLKTQFTKZ-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2)c1=O 523745122 PMGBMKDCBURWTD-UHFFFAOYSA-N 400.475 1.958 30 10 HDEE N#Cc1cccc(CC(=O)NCC2(NC(=O)Cc3cccc(C#N)c3)CCOCC2)c1 530908793 CZAKYRIZCWPTPF-UHFFFAOYSA-N 416.481 1.997 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 531945735 OTSZMRYFPVBILF-OAHLLOKOSA-N 415.471 1.427 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cc(C#N)ccn2)CC1 533244101 AGRUYTZAPHLLOR-DENIHFKCSA-N 418.545 1.854 30 10 HDEE Cn1cc(C#N)c(=O)n(CC(=O)N2Cc3ccccc3[C@@H](c3ccccc3)C2)c1=O 535693330 KEOSCGNTHYFJSW-HXUWFJFHSA-N 400.438 1.593 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCCS2)CC1 541480240 LNWXHEOOWSRIEK-MRXNPFEDSA-N 408.549 1.860 30 10 HDEE CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196763 RBOLTIJEVLBTFG-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)C1 558215201 PIWALRYFCDKVJX-LJQANCHMSA-N 417.535 1.628 30 10 HDEE CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558868469 SCDUIWYWMYIYLZ-AWEZNQCLSA-N 418.523 1.828 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 560429583 PXQANVVUNZZDTQ-OAHLLOKOSA-N 412.515 1.003 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 560717581 NYIOGYDGTWSQFC-HNNXBMFYSA-N 405.501 1.826 30 10 HDEE COCCn1c(N)c(N(Cc2ccccc2)Cc2nc(C#N)cs2)c(O)nc1=O 568455256 AXDCOPRUVYBNNB-UHFFFAOYSA-N 412.475 1.712 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3nnc(CO)c3C2)n(-c2cccc(F)c2)c1C 584568050 NHBPLLWLHBGWNI-UHFFFAOYSA-N 423.452 1.643 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 608908571 WHOMFXLLMLFDIK-KRWDZBQOSA-N 419.503 1.371 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2sccc2C#N)CC1 609724959 VVZIDRNKIRWVKO-UHFFFAOYSA-N 404.517 1.486 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1=O 611973755 LBZJDJWYMZQQLI-OALUTQOASA-N 406.490 1.568 30 10 HDEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1cccnc1 623014807 NQTAFJMVQSBOFV-ZDUSSCGKSA-N 400.508 1.744 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cc(C)c(OC)c(C)c3)c2=O)cn1 726962357 TXXHPBMWTRDUEY-UHFFFAOYSA-N 418.478 1.955 30 10 HDEE CSC[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732649044 OAQCUVODNOQSQS-MWDXBVQZSA-N 404.536 1.092 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1C[C@H]1CCCO1 755624243 IANGFGNDTYNCAK-UKRRQHHQSA-N 414.512 1.423 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 756658179 IYBXVWYOOPXNIF-HKWRFOASSA-N 420.451 1.876 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 757599184 XXUACZSNPSPAFM-HOCLYGCPSA-N 407.492 1.969 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758771247 ZWCDJXVJSQEOHC-OLZOCXBDSA-N 402.517 1.210 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 760387655 DRBLDTVBCQUHAX-ILXRZTDVSA-N 409.508 1.470 30 10 HDEE CNC(=O)c1cccc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767673035 BPLLNTGINANTBW-CYBMUJFWSA-N 401.444 1.328 30 10 HDEE C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)NCCN/C(O)=C1/N=CC=CC1=O 768686986 CIUVXHIIWWZTBF-WTIYMYMHSA-N 408.499 1.517 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=NNC3=NC(=O)C(=O)N3)c3ccccc3O2)C1 769588274 BOQUTSHMHHEWRA-FQEVSTJZSA-N 413.434 1.155 30 10 HDEE N#C[C@H]1CN(C(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 776918608 OPAUKADVEOIPCF-RXVVDRJESA-N 400.454 1.936 30 10 HDEE Cc1cc([C@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)nc(C)n1 777292217 GINPIXBFSAAOEG-GOEBONIOSA-N 401.467 1.785 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)cc2C)n1 779319290 YXQPMMITLXMPMV-UHFFFAOYSA-N 402.480 1.731 30 10 HDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783942574 OPOGIJPOWXURSR-UHFFFAOYSA-N 411.512 1.610 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)n1 788369868 NJEWDERHPFIJSV-UHFFFAOYSA-N 412.450 1.773 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)n1 788819228 VLMPHNXDSQLIAK-UHFFFAOYSA-N 410.883 1.106 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)n1 790106059 OJWJFXGYDKNMTK-NRFANRHFSA-N 414.481 1.704 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn1ccccc1=O 790684875 JJIUPPFMRCNBET-FOIQADDNSA-N 404.488 1.807 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 805783396 XDQBRVRDULYJLR-WOJBJXKFSA-N 421.563 1.703 30 10 HDEE N#Cc1ncccc1COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 813166488 XDBLRWUIKFAHGA-UHFFFAOYSA-N 415.471 1.650 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccc(F)cc1 839202956 KVPMSVOHHQJIKW-UHFFFAOYSA-N 414.425 1.645 30 10 HDEE CC(C)N1CC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@@H](c2cnn(C)c2)C1 849569225 SGYAWKOFVMMDBA-FUHWJXTLSA-N 412.542 1.502 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccco3)n2N)c(OC)c1 1084156918 GRRXHSHYMBHZNT-UHFFFAOYSA-N 417.451 1.779 30 10 HDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)NCc1ccccc1 1084528844 ZGKYGXYWJXENRO-UHFFFAOYSA-N 413.463 1.258 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c(F)c1 1125033379 XOGCFIOOJKJLBS-UHFFFAOYSA-N 409.377 1.830 30 10 HDEE CN1C(=O)C[C@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)[C@H]1c1cccnc1 1126630457 CEMNUTONKLIGSC-PKOBYXMFSA-N 401.430 1.751 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1128861180 GNUDDNTUFKRATM-UHFFFAOYSA-N 407.492 1.636 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1130824727 UBDHXYYOEARPBF-UHFFFAOYSA-N 418.494 1.063 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCC(O)CC2)c1 1137981731 HEFWTDJIYCOHPL-FMQUCBEESA-N 412.446 1.139 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)C2)C1 1139541954 YINSABRKOMDWGD-KZMFIGSESA-N 402.495 1.512 30 10 HDEE CCOC(=O)c1cn(CCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1139723103 ZPEOQVUJHOILNC-CQSZACIVSA-N 407.471 1.763 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C 1141495324 BBXXWFAZUYUVDK-OAHLLOKOSA-N 402.472 1.918 30 10 HDEE C#CCN(CC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1)C(=O)OC(C)(C)C 1144496624 AWIADPLLNSFYJV-QGZVFWFLSA-N 420.554 1.448 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)CC2)c1 1144762596 BNBFMHVLJBIYES-FQEVSTJZSA-N 411.433 1.858 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1146856390 RNAITAMXKHHCEE-UHFFFAOYSA-N 413.430 1.634 30 10 HDEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCCN(O)C1=O 1159641126 DCAMVWMDNGJAHD-GJZGRUSLSA-N 421.498 1.874 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)NCCNC(=O)c1ccc(Br)cn1 1166464452 RJAXWHPFOVSUBY-UHFFFAOYSA-N 416.231 1.471 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H](O)C[C@@]1(C)CO 1167396794 GSBWHAJPMVJQPU-SJCJKPOMSA-N 413.268 1.442 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1CCC[C@@H](OC)C1 1178226592 RLVGBYFUDOPVBO-ZBFHGGJFSA-N 408.524 1.426 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)nn1 1193475965 OSTNRXGYYWEPQE-UHFFFAOYSA-N 414.285 1.194 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCCC2)[C@H](O)C1 1193903966 HPHWELHBESOJRU-HUUCEWRRSA-N 401.529 1.750 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)C1 1255366135 ZZHIGSIAGKLWCH-KBPBESRZSA-N 406.284 1.104 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286277821 HVMUZTASUNJNFP-WCQYABFASA-N 410.569 1.662 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1286399127 ZGMJXYCMPZDMQP-OKZBNKHCSA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(C2CC2)C1 1286400633 JABBHRMSMSFFKC-WMZHIEFXSA-N 411.550 1.876 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1286405784 LELXXOBSNIZXQT-UHFFFAOYSA-N 400.446 1.064 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1286437978 PZHFHIAIMVTPLI-HXUWFJFHSA-N 418.519 1.614 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1NC(=O)CC1(C)C 1286469015 CEVPAMOKYFEDIX-BQFCYCMXSA-N 419.526 1.003 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1286504256 KNIMZJVLMDIFMS-KRWDZBQOSA-N 402.568 1.660 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCC(=O)NC 1286561332 BEFCTTYRLVDBOG-OXQOHEQNSA-N 418.542 1.344 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1286700889 ONDWKUMNSXNDFG-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1286714870 UUBUDYGSKPHCKB-CYBMUJFWSA-N 416.511 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(CO)CC1 1286821320 HGIQPZGFGWOIMG-UHFFFAOYSA-N 422.526 1.818 30 10 HDEE CC(=O)NCCCn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286954303 DTCABKTVWKQVIL-NHCUHLMSSA-N 418.542 1.975 30 10 HDEE COc1ccc(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC(F)F 1290568676 FAEAKNRFTUFZHW-UHFFFAOYSA-N 408.361 1.479 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2=O)cc1 1298572559 MNNNWLAMRMPZEG-OALUTQOASA-N 424.432 1.622 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1299675164 LQBAOFMPLRBMMV-HOCLYGCPSA-N 401.492 1.867 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(-n2cncn2)nc1 1300468223 VUSVWDBBSWMUEH-UHFFFAOYSA-N 405.491 1.727 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCN2CC)CC1 1300682352 GQUOIQKJDIGOLB-MOPGFXCFSA-N 404.559 1.242 30 10 HDEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1301008931 DLTXDXOPNVPWFP-GOSISDBHSA-N 419.551 1.871 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(O)cc3C2)cc1 1301318219 GZQGPMGHICVIER-UHFFFAOYSA-N 401.444 1.619 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1301373113 SIHAZEVTZFBMRU-RTWAWAEBSA-N 405.543 1.564 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301450065 MWMKMZMIGQQVSY-LPHOPBHVSA-N 410.526 1.300 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1301568813 KLIRJBPPVZCDDY-UHFFFAOYSA-N 412.537 1.227 30 10 HDEE CS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1302465851 FOACFUALMJKNKY-CYBMUJFWSA-N 400.464 1.200 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)C1 1303934310 QYXBIWRZIOGYNM-APWZRJJASA-N 409.556 1.863 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1312971739 BWOHIDYPVSNHHD-UHFFFAOYSA-N 404.414 1.367 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1313191144 QNFUSSQBTJKMQU-HRAATJIYSA-N 409.534 1.800 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1313551351 LFYXYZKPIHFXQU-UHFFFAOYSA-N 418.461 1.353 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1316012476 XNUFOMKEAJCWIL-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318371389 HQZMZVLQJNXLDD-UYAOXDASSA-N 404.470 1.727 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cccc4cccnc34)CC2=O)cc1 1318559141 ZHKJENNYZSKMKO-MRXNPFEDSA-N 420.450 1.964 30 10 HDEE C=C[C@H](COC)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1320310112 GHCOYKMUYSIITF-HIFRSBDPSA-N 417.325 1.919 30 10 HDEE C[C@H](c1ccncc1)N1CCC(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1322856134 CSTOXJKONMEXGR-FZFLATATSA-N 412.494 1.433 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1353198359 RMXRINHKGQULMB-CYBMUJFWSA-N 402.455 1.670 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCN(C)C(=O)c1ccncc1 1356276116 HGGMTTRVUMPTHL-MRXNPFEDSA-N 407.478 1.333 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1C1CC1)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1358760140 NFVZWRSBSKMTKG-OFOKGCAXSA-N 400.519 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358889435 BSEXOKLYZPJBIM-XHSDSOJGSA-N 415.460 1.893 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1358927620 DIXPDTZIKVXKLX-GOSISDBHSA-N 404.478 1.860 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1358978609 QJWZFXUYCPRDSQ-HNNXBMFYSA-N 403.533 1.261 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1359010404 OSBZDSLIOQIUAB-WMLDXEAASA-N 424.461 1.238 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)nc1OC 1359024261 JMCYLVLRMACFDT-INIZCTEOSA-N 401.467 1.329 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1359028465 SYQFEUTWDCHISY-REPLKXPHSA-N 414.554 1.473 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)[C@H](OC)C1 1359062843 VGPFBWOPNGLTRF-NXOAAHMSSA-N 410.540 1.219 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359130298 FMDLJRASBCCKQS-UHFFFAOYSA-N 422.555 1.348 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1359225947 QPXQSQFCUGEESD-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1359286586 CUTBNKILSYODMM-CABCVRRESA-N 414.514 1.805 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)c2ccccc2C1 1359291316 LWGZQUXQZJFIBY-UHFFFAOYSA-N 411.510 1.175 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359304392 XBGKMAXMFPPRKX-KRWDZBQOSA-N 424.505 1.279 30 10 HDEE C=CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359346210 FMVUXEZNTARCJQ-YLJYHZDGSA-N 423.583 1.370 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N[C@]3(C#N)CCc4ccccc4C3)CC2=O)cn1 1435936411 BJKUPPFDOIRGIO-PGRDOPGGSA-N 407.474 1.450 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)OCC 1438404491 PTJPGCCTOUDLKX-CABCVRRESA-N 410.833 1.436 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1443910039 JVHMLQWXNLWAIH-CHWSQXEVSA-N 409.936 1.563 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)s1 1444210327 OTPKQCBYDULMTE-KBPBESRZSA-N 413.565 1.518 30 10 HDEE Cc1ccc(C(=O)NC2CC(N3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1452084975 GJYQCYKRWPINLK-UHFFFAOYSA-N 400.328 1.887 30 10 HDEE COc1c(F)cc(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(N)(=O)=O 1454246218 LZTZLTPMYZMZAK-UHFFFAOYSA-N 418.450 1.219 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCCCCNC(=O)CC1 1454615763 AKNGPMRXWJCUFE-HNNXBMFYSA-N 406.508 1.134 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCC2(C#N)CCOCC2)ccc1[N+](=O)[O-] 1457113862 ZCTRUDCZLPNLCX-QGZVFWFLSA-N 400.435 1.944 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Cl)c(N)c([N+](=O)[O-])c3)CC2)c1C#N 1466922325 YLAMPYTZYXRLRB-UHFFFAOYSA-N 403.830 1.706 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)COc1cccc(Br)c1C#N)C2 1467702351 WQUUJZYUYLKBBP-KPZWWZAWSA-N 423.263 1.738 30 10 HDEE CCOC(=O)[C@@]1(F)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC12CCC2 1470045312 QFPOXJZAAXSLFX-IBGZPJMESA-N 423.466 1.120 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@@H]1CCCO1 1475216836 OLYKRHHPPZVCNQ-FHWLQOOXSA-N 422.503 1.124 30 10 HDEE C#CC1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1475427242 SEPCULZIKHSFPP-RTBURBONSA-N 406.504 1.697 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1 1476041860 QXOUEXBPGVSXBY-HNNXBMFYSA-N 406.508 1.643 30 10 HDEE C[C@@H]1CCCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@@H]1CCCNC(=O)C#CC1CC1 1489967639 INBSLEUTXVGUBN-XJESJRCUSA-N 402.535 1.975 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCN(CC)CC1 1499008925 YUBMEXRLNOHSAA-MRXNPFEDSA-N 424.553 1.401 30 10 HDEE CCn1cccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)c1=O 1502235098 CHZORITUAPTYMP-LJQANCHMSA-N 422.464 1.967 30 10 HDEE CN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1503528160 ICPALPVHBNAAJW-QBHGPPCGSA-N 400.483 1.892 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1505324843 GNSDBGCHWZMQRA-MRXNPFEDSA-N 402.499 1.542 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC1 1505325833 UJCUOZDKNHXWAI-UHFFFAOYSA-N 406.556 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1507536081 AEMISZOTFWIFSI-TWOQFEAHSA-N 408.568 1.969 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1507563310 DZNSKRKOLLQWGI-CEXWTWQISA-N 417.554 1.953 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1507686817 HTCYOIKUZFBIFP-UHFFFAOYSA-N 421.505 1.613 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNC(=O)C(C)(C)C)CC1 1507720977 KRTKEIUHAUWBEG-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1507726275 AOPYNHSXVHNCEJ-FQEVSTJZSA-N 400.571 1.343 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1507852959 FPMHXQZCVXVKED-SNVBAGLBSA-N 422.342 1.664 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507857360 LVDZVYNPJYPAQW-MGPQQGTHSA-N 402.879 1.115 30 10 HDEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507866425 DMMDKIZLNDEEIC-UHFFFAOYSA-N 410.950 1.210 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCSC1 1508079497 XNYIIPUORUUBFI-HNNXBMFYSA-N 415.519 1.960 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1509721870 HLSSYWREJJPKOL-WUKNDPDISA-N 417.514 1.063 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2OCC[C@H]2C)CCOC1 1509816614 NFLIBYFMDJTUJW-WOCWXWTJSA-N 405.499 1.472 30 10 HDEE CCOCc1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1516580522 GSEYEHZYWMONOF-YPWSZFOLSA-N 400.483 1.720 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)O1 1525781416 RNHSKXSMRWSTCS-OAZZHIDZSA-N 409.464 1.159 30 10 HDEE CCc1nn(C)c(C(N)=O)c1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1532511724 QVUVWFCAABBPFW-LLVKDONJSA-N 414.853 1.598 30 10 HDEE C=CCN(C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)[C@@H]1CCS(=O)(=O)C1 1537473750 GQYXGFVDHZDAPV-QGZVFWFLSA-N 418.475 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC 1538982720 JCTVSRPGPAQHNJ-CQSZACIVSA-N 403.508 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1538992590 UONURDUIDNKBGE-HNNXBMFYSA-N 415.461 1.831 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1539072161 MGANQIBQLQCIHU-IAGOWNOFSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1539149964 XYKXMCMWSYOJOO-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1539666233 RSZUVQYQIXYLCC-UHFFFAOYSA-N 419.493 1.771 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539913051 XWLCQGNFGIXLSM-KRWDZBQOSA-N 401.515 1.622 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540868682 NPSKMXDAYPTGCZ-CABCVRRESA-N 420.539 1.209 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC(F)(F)F 1540905404 WAFXOTWQDCEZSS-UHFFFAOYSA-N 403.430 1.863 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1543316098 XCPCUUWZEYDJGM-HDICACEKSA-N 424.553 1.679 30 10 HDEE CN(Cc1cscn1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1554195715 FYJPRMTZQSZNHU-UHFFFAOYSA-N 402.505 1.954 30 10 HDEE CO[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1554600734 FKQHFIZNBUNHRB-SJLPKXTDSA-N 411.510 1.800 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCNC(=O)c1ccco1 1555728937 NRISDAZVJCUOPG-VYDXJSESSA-N 416.482 1.763 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)[C@@H](O)c3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 1557486561 PNMCLPMBAWTMKU-UXPWSPDFSA-N 409.490 1.830 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NOc2cccc(C#N)c2)cc1OC 1557921321 VQEAYYPQNXQPLL-UHFFFAOYSA-N 405.432 1.354 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CC[C@H](CS(N)(=O)=O)C3)n[nH]2)c1C 1558846005 BMZPUSAZBGJLJY-UONOGXRCSA-N 406.512 1.263 30 10 HDEE Cn1c(NC[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c(C#N)c(=O)n(C)c1=O 1559279491 RUFXHOWTUPETLU-LLVKDONJSA-N 413.425 1.260 30 10 HDEE CO[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@](C)(CO)C1 1560062914 JOPIKHFMEXQQDW-QKNQBKEWSA-N 404.486 1.006 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N[C@H]2CCc3cc(C#N)ccc32)CC1 1561530526 FGICDCZPYWBPEH-KRWDZBQOSA-N 406.508 1.933 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)cc1 1570093211 GVVZZYWSGYWGFM-AWEZNQCLSA-N 402.476 1.611 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)C(C)C)c1 1587526654 SUFYLYHBEBFVBH-KRWDZBQOSA-N 408.545 1.866 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC1OCCO1)C(=O)OC 1587981728 RJLACKATEKWZKH-QWHCGFSZSA-N 420.890 1.833 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCC(C)CC1 1588139031 KHTAMSRKVYIXIC-WBTXTPOCSA-N 418.563 1.848 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)C(=O)NC)CC1 1588858182 YTBBGCDLMBVHBW-UHFFFAOYSA-N 408.550 1.591 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595744362 LLSPBWAQTFYYQG-IRXDYDNUSA-N 416.526 1.780 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 1595790419 LHQVZPVUVFARGH-BZSNNMDCSA-N 406.571 1.426 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1608227076 XZJYVNPEXDMACF-INIZCTEOSA-N 423.510 1.566 30 10 HDEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCC1 1611043928 LNAHPRXJZDORRB-HNNXBMFYSA-N 402.472 1.686 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)NC[C@H]2c2ccccc2)ccc1F 1611072287 DYRHKXZLZCPEEX-KRWDZBQOSA-N 417.462 1.603 30 10 HDEE C[C@H](O)C[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1611299050 BRZCRWFTANNXSS-LRDDRELGSA-N 408.296 1.755 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2c[nH]c3ccccc23)c1=O 1614781332 SUFHBUMEVNRKKH-UHFFFAOYSA-N 408.414 1.588 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c1 1615195029 KXHLOCOGCAHOCU-IBGZPJMESA-N 407.470 1.863 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CCC1 1615923117 FKIYKTPTXGSLLM-GJZGRUSLSA-N 422.555 1.082 30 10 HDEE CO[C@@]1(CNC(=O)Cc2ccc(Br)cc2C#N)CCS(=O)(=O)C1 1616868851 DHGQWZYXHDGMDN-OAHLLOKOSA-N 401.282 1.183 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C1CCN(C)CC1 1617454761 SYRXUILPRYEOBH-SFHVURJKSA-N 403.548 1.643 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCOC[C@@]34CCOC4)C2)C1 1617717248 PJNJGRDGQSCNPF-IUTMSDBMSA-N 405.495 1.791 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1619910720 SBQNMAGVAMYINT-LJQANCHMSA-N 410.478 1.989 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 1624572584 CWYPSYZWEAKXPM-UHFFFAOYSA-N 405.407 1.629 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1625082470 JTIJQEBMXYHAFR-IIBYNOLFSA-N 410.430 1.103 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)C1=O 1626210013 INZAQJHQWFYGDI-QGZVFWFLSA-N 406.508 1.473 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(C)cc2Br)CC1 1627015378 QGKGZUQRABELHG-UHFFFAOYSA-N 406.324 1.584 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N(CCC#N)CCN1CCOCC1 1627067874 HTGIKWIIUNFIKN-QZTJIDSGSA-N 408.543 1.954 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2Cc3ccc(C#N)cc3C2)c1 1627600899 XVVYHDQOWXCZNU-UHFFFAOYSA-N 412.471 1.081 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(CC(=O)NCC)CC3)n[nH]2)c1C 1629097523 JTHXYTMRFPASIW-UHFFFAOYSA-N 413.526 1.360 30 10 HDEE COCC(=O)NC1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1630153644 DCOIWDCUZYSFBW-UHFFFAOYSA-N 407.511 1.391 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)n2ncc(C#N)c2N)cc1 1630732860 NINRIFPSOXZYMT-INIZCTEOSA-N 401.448 1.423 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1632079268 XHUCVJGFWWLCGT-OAHLLOKOSA-N 420.535 1.130 30 10 HDEE COC(=O)c1cc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)ccn1 1634207813 FPTTVLLKJVIAIU-UHFFFAOYSA-N 401.444 1.876 30 10 HDEE Cc1cnc(C2(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCOCC2)[nH]1 1636055810 MSHHVMXCSCEVFZ-UHFFFAOYSA-N 406.439 1.590 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4OCCNC(=O)[C@H]43)CC2)c(F)c1 1636384333 IMVKLBUBCQYCIQ-MOPGFXCFSA-N 400.454 1.420 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 1636469607 QMEMIGZAHHWEOG-HNNXBMFYSA-N 413.430 1.116 30 10 HDEE C#CC[C@@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1636839136 UHJJAXPZZZQYNZ-INIZCTEOSA-N 420.465 1.483 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)CCCC)C1CCN(C(=O)OC(C)(C)C)CC1 1638331064 LHWHQZJIPZCTAM-UHFFFAOYSA-N 415.556 1.567 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1c1cccc(F)c1 1640541781 FYFJESPUTXUTFM-LIRRHRJNSA-N 417.462 1.964 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H](CO)NC(=O)c3ccc(F)cc3)cn2)cc1 1643072304 TXUDKNLOZKTLAY-IBGZPJMESA-N 407.405 1.672 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccsc2C#N)CC1 1643811070 HYLHCUDPEVBZME-QGZVFWFLSA-N 410.547 1.874 30 10 HDEE C#CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1644470054 PVBNEJMQLIEKKM-ROUUACIJSA-N 419.547 1.688 30 10 HDEE COc1nscc1CN(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1647844133 MCDGFHVEWZAFND-NSHDSACASA-N 408.505 1.627 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@H](C#N)CCc2ccccc2)cn1 1651776303 YRRDHKULOHEJIE-HKUYNNGSSA-N 400.504 1.881 30 10 HDEE Cc1cc(C)c(Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(OCc2ccccc2)n1 1652167158 NULIIDMLPHQYJJ-UHFFFAOYSA-N 420.469 1.822 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1655406609 PYPASVIQJYPNPC-KRWDZBQOSA-N 416.526 1.660 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1655606890 ZDPCQKHZLDFPNL-JTQLQIEISA-N 419.253 1.697 30 10 HDEE C=CCOCCCNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1656038856 JTQYUAIGVUZZLW-UHFFFAOYSA-N 405.270 1.651 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3nc[nH]c3[C@H]2c2ccnn2C)c1 1659169989 JRIQCWLTWMGVPF-HXUWFJFHSA-N 403.446 1.420 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 1662794088 SRSBXWYYAKQGCQ-KSZLIROESA-N 409.504 1.930 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1 1663033949 BQFFIXFJNFKMGD-MSOLQXFVSA-N 424.542 1.861 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(C(F)(F)F)nn2C)c1 1664089039 ZXKFFEVTEVBKEA-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)c1 1664763258 OZHABLYHMDRBHX-UYAOXDASSA-N 400.500 1.827 30 10 HDEE C#CCCN1CCN(S(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)CC1 1666721218 BKXCNMGXOASYLC-RUZDIDTESA-N 409.455 1.919 30 10 HDEE COc1ncc(NC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1C#N 1674322124 IDWWHFFUUKGIRG-UHFFFAOYSA-N 401.448 1.823 30 10 HDEE COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC#CCO)cc1 1675465134 MPWOAERBMXZUEA-SFHVURJKSA-N 403.479 1.994 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCn3ncc(I)c3C2)C1 1676035191 GNGTVCDPCULFEZ-GFCCVEGCSA-N 413.263 1.111 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)CC1 1677128810 VFJPWDATSASXTK-UHFFFAOYSA-N 421.567 1.077 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2cnc3c(Cl)cnn3c2)n1 1682619377 HMIYZEJYDLLLHM-UHFFFAOYSA-N 415.885 1.613 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1683479602 MHDJGVFSGWFQJY-JZXOWHBKSA-N 421.538 1.942 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1683735701 PLANBRKUHDYAMA-CQSZACIVSA-N 411.480 1.385 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1)C1CCOCC1 1684188257 MBPJJGKBSGSJOT-KZNAEPCWSA-N 409.527 1.986 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2cc(C(F)(F)F)cc(Cl)n2)c(=O)nc1O 1684994644 RTEHKUNOPAPYHM-UHFFFAOYSA-N 416.747 1.387 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1686393697 IDLPXTIBEJLJCU-OAHLLOKOSA-N 417.457 1.714 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1689965810 DJAYHYMYRKYNJM-ZDUSSCGKSA-N 411.434 1.294 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@](C)(O)CCOC 1689978082 LRDGVEACYGCQLH-MRUHUIDDSA-N 421.542 1.906 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1689986264 LXTMWDMBBFBYLH-KRWDZBQOSA-N 414.531 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1CC 1689998684 TULTXVYMHZBZGM-UHFFFAOYSA-N 407.522 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccnc(-n2cccn2)c1 1690042895 HRKYKKOAADCEHX-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690169453 CFBUXZXUBAGOHZ-HXUWFJFHSA-N 416.551 1.819 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690465323 XTAODGOXVGPDJB-MBOZVWFJSA-N 424.567 1.921 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1690675180 RCQBGNILDVQLEU-GOSISDBHSA-N 410.522 1.470 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690725225 IVXXYYKAAHCNFA-KRWDZBQOSA-N 423.583 1.669 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1705585400 RKXFHDBAISCJTN-UHFFFAOYSA-N 414.579 1.301 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)C1CC1 1705601530 MHRLWNZPZFQSJY-NRFANRHFSA-N 411.531 1.894 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1705612499 HUWSJUFTROFJAX-KRWDZBQOSA-N 404.492 1.685 30 10 HDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(N)=O)C1 1705689464 NGAHSEMLMHXFCS-LLVKDONJSA-N 411.329 1.854 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909451 XNVSVVHBDYNCJL-LEWJYISDSA-N 421.542 1.626 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1705924733 GBQXPUWRBKZGFO-HZPDHXFCSA-N 416.526 1.916 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnnn2C)cc1C 1707518152 DNQMJCHNTLFQCY-HXUWFJFHSA-N 423.456 1.766 30 10 HDEE C[C@H]1COCCN1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1708264390 HNBMXDZXLPJYRW-MSOLQXFVSA-N 422.537 1.976 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1709900602 DBIGNGVUTKVQDU-AWEZNQCLSA-N 418.523 1.164 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CCO1 1711360267 FGWHHTXGXGSGIZ-QZTJIDSGSA-N 424.505 1.583 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CCO1 1712884501 MYMRLGMXCHSIQU-HUUCEWRRSA-N 402.405 1.944 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722314630 BQWBLGDEAQNQML-FGTMMUONSA-N 400.527 1.190 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)c1occc1C 1722359827 WFFVNABAALDYCK-WMZOPIPTSA-N 415.494 1.793 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1722382681 JHAUMCIYKNQXIA-OALUTQOASA-N 423.542 1.768 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1722438217 OPBVLCGQXJFWQR-JOCHJYFZSA-N 403.490 1.398 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722537585 OMFSJKYSPMQWRZ-ROUUACIJSA-N 407.515 1.454 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722624963 MIKIPPFDJAJSFB-NRFANRHFSA-N 413.526 1.629 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)COC(=O)N2 1722625198 PWGFLSJFPSYCSD-UHFFFAOYSA-N 401.471 1.350 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1722629175 HHXNXIGWKCEGHY-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1722631785 WSFXLJRPJROJHJ-AWEZNQCLSA-N 421.523 1.524 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1)C1CC1 1722643997 JLVTVXUWLFTANT-NDEPHWFRSA-N 400.508 1.991 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCC2)C1 1722708881 FKISHAITCXZOKS-KRWDZBQOSA-N 418.542 1.600 30 10 HDEE C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)[C@@H]1COC[C@@H]12 1735798621 YQUAJSSEHLRFNI-FQBWVUSXSA-N 404.507 1.223 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1740622745 IBPDKAFRYYGNGN-DOTOQJQBSA-N 421.567 1.335 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1740675576 SAVCABYHRPLCTB-IAGOWNOFSA-N 409.556 1.478 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740709095 JITVSZQCOHRPOS-CQSZACIVSA-N 404.540 1.679 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1740730800 IOEJBYFQJKPEFC-FXAWDEMLSA-N 406.552 1.989 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2cnnn2)CC1 1740836592 PRCKSGFOHFIETI-LJQANCHMSA-N 402.503 1.409 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1740880956 RYJTYAMHFDBJQL-UHFFFAOYSA-N 414.514 1.126 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1741001526 WULLPFJOVBMIAH-OAHLLOKOSA-N 404.540 1.841 30 10 HDEE CC(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1741118474 XBFYOICCNKBVER-UHFFFAOYSA-N 406.494 1.783 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1741801289 AFQRNFOFGQPRED-OAHLLOKOSA-N 402.524 1.970 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1746428008 XEWCGSXZWOEGDC-RBUKOAKNSA-N 424.505 1.415 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1748680249 PDMNFFFPBWFFQA-MRXNPFEDSA-N 400.527 1.507 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748750669 MLAKSSQAWSEJFT-IBGZPJMESA-N 416.570 1.924 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1748847088 OSKHAYMRIPMGRX-CQSZACIVSA-N 414.516 1.011 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1748907715 ZWPDUGIOVFSFBJ-OAHLLOKOSA-N 412.485 1.232 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C1CCCCC1 1748959972 CEICEXDQQLAFAN-SFHVURJKSA-N 402.543 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C)CC2)CC1 1749005140 SIBGQNKLJVGXPH-MRXNPFEDSA-N 403.527 1.768 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1cnccn1 1749116044 ZBCYCUUMWBFISO-FUHWJXTLSA-N 413.526 1.866 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1749464833 GBIIPOPYFQLKFV-QMMMGPOBSA-N 402.265 1.498 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1749678153 XTRHTQBKMGVKOY-PBHICJAKSA-N 401.515 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2CCCO)C1 1749703669 MPVGDFLFBLJYCD-MOPGFXCFSA-N 412.538 1.968 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCCn2cnnn2)C1 1749714812 MYLLVVDPMFYPSG-KRWDZBQOSA-N 412.473 1.866 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1749761181 WXIHLDCTJOPYFE-HNNXBMFYSA-N 407.540 1.709 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)N(C)C 1751121952 DTXWFSHLKHHGFC-QUCCMNQESA-N 423.565 1.925 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C1 1751276663 KVAYEEKUEISLTN-WBMJQRKESA-N 400.405 1.938 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCN(C(C)C)CC1 1751912055 SPANFLOYKQDMNF-UHFFFAOYSA-N 411.510 1.357 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1760152809 ZVXJQMZZVHPILX-MRXNPFEDSA-N 417.473 1.817 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCCC1 1760174767 IBNJNWHTPAEMNE-MRXNPFEDSA-N 419.526 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC[C@@H]1COCCO1 1760211011 YXIZSIGYGOBEQM-HXUWFJFHSA-N 410.474 1.744 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2F)n1CCS(=O)(=O)NC 1760298021 SHETVJVXGUZHPK-LJQANCHMSA-N 421.498 1.538 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSCC1 1760519696 MEMJCWHCIGSGCG-UHFFFAOYSA-N 401.492 1.572 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@H]1C 1760520560 RTVFCONEHWQHLV-OAHLLOKOSA-N 412.494 1.313 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760529125 XPEAQWNDLCAONM-XGHQBKJUSA-N 421.542 1.625 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568456 JKKSMQOPCVLXDJ-OXQOHEQNSA-N 423.583 1.940 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1760688557 KUBZYLNEPWCGIE-ACJLOTCBSA-N 414.457 1.296 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1 1767687456 PRANIWUCXVHKDV-UHFFFAOYSA-N 412.494 1.442 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCOCC1 1768282061 XVYCCVLPWGWPMI-UHFFFAOYSA-N 418.523 1.373 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1769783623 FRYCUEBYIICMJO-MOPGFXCFSA-N 423.521 1.110 30 10 HDEE COC1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1770572816 KQYUBPWBLQXAAF-OFLPRAFFSA-N 402.499 1.448 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#Cc3cnn(C)c3)C2)cc1 1850090409 RFYXSOPXDARDDS-SFHVURJKSA-N 400.504 1.297 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2ccc(F)cc2)C1 1850794425 LDTDDKVEHVCUID-ZDUSSCGKSA-N 401.419 1.440 30 10 HDEE C=CCN1C[C@@H](C(=O)N[C@@](C)(C(=O)OC)c2cccc(Br)c2)CC1=O 1850959039 GFVHLNFVAHKHKP-KPZWWZAWSA-N 409.280 1.988 30 10 HDEE O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)NCC#CCN1CCOCC1 1852162011 NINFOBXGDUYEHJ-UHFFFAOYSA-N 404.466 1.804 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccccc4F)C3)CO2)nc1 1852469252 YXXNOCBODCFJOG-SJORKVTESA-N 410.405 1.804 30 10 HDEE N#CC1CCN(CCNC(=O)CS(=O)(=O)c2ncc(Cl)cc2Cl)CC1 1852709098 YSEFHTDXEMNFAJ-UHFFFAOYSA-N 405.307 1.514 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1852738431 GDSMRUXNXMTCSU-VXGBXAGGSA-N 400.870 1.520 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccc(F)cc2)C1=O 1854262058 GCWIGNCWBDFGFQ-RTBURBONSA-N 417.481 1.831 30 10 HDEE C=CCN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@H]1C 1854272087 BAXOWUIFWSEZHJ-IAGOWNOFSA-N 422.551 1.037 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccccc3F)C2)cc1 1854400684 BJDXGLMTTOIUST-KRWDZBQOSA-N 404.419 1.929 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC(Oc4ncccn4)CC3)CC2=O)c1 1854436484 JAOQZMXYDYFKED-KRWDZBQOSA-N 405.458 1.880 30 10 HDEE C[C@@H](C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854798398 GQQITRFNFCKHQS-MAUKXSAKSA-N 408.462 1.382 30 10 HDEE C=C(C)CN1CCN(C(=O)Cn2cnc(-c3ccc(OC)cc3)cc2=O)C(=O)[C@H]1C 1854822004 WUGAAMZTIPAOFH-MRXNPFEDSA-N 410.474 1.554 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CCCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885242 UFPUCLGWALZJPG-AEFFLSMTSA-N 416.501 1.761 30 10 HDEE Cc1cncnc1N1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855525671 HCXKPFSIKRLIRY-SFHVURJKSA-N 405.462 1.005 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1855873323 SXBXGKNOOSTINK-SFHVURJKSA-N 403.504 1.997 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(N(C)C)ccn2)CCN1CCOc1ccc(C#N)cc1 1855906391 FDVFVSCTHIIQLH-MRXNPFEDSA-N 407.474 1.771 30 10 HDEE CN(c1ncccn1)[C@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1856616844 DKEJKSHBAQTORE-MJGOQNOKSA-N 404.474 1.548 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)CC4CC(=O)C4)C3=O)CC2)n1 1856972656 XCLSEQQEBYOTBG-IBGZPJMESA-N 410.474 1.541 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1857489869 JVQKARJRMZBGPX-MJGOQNOKSA-N 419.547 1.723 30 10 HDEE COc1ccc2cc(C#N)c(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)nc2c1 1858204898 ZLHGPLROPPXNQU-CQSZACIVSA-N 405.501 1.853 30 10 HDEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CNc1ccc2c(c1)C(=O)N(C)C2=O 1870871334 FWDORZRPSBBDJR-UHFFFAOYSA-N 411.414 1.424 30 10 HDEE C#CCOc1cn(C[C@H](C)O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871008428 VSNWRXLFSYUSOW-SFHVURJKSA-N 410.518 1.605 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626767 WJNXSHDLSPQESR-UHFFFAOYSA-N 407.526 1.877 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@]2(C#N)CCOC2)N=C(c2ccccc2F)c2ccccc21 1887622373 IDKVBBNNXGSKKL-UGKGYDQZSA-N 421.432 1.947 30 10 HDEE CCOc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccn1 1889303285 GFCZFQNCPQNAKR-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE C#CC[C@H]1COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2057296143 UKTRBIFINQXXJZ-LIRRHRJNSA-N 408.451 1.065 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2C#N)[C@H]2CS(=O)(=O)C[C@@H]21 2162863300 QINLBPFSNVOLNS-RYUDHWBXSA-N 413.887 1.224 30 10 HDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(C#N)CC2)C1 2174780975 ANTVGUZWZAYEOD-LSDHHAIUSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCCNS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174785214 WMLIBRVXTGCXMI-CQSZACIVSA-N 402.517 1.082 30 10 HDEE C=CCn1ncc(NCCn2ncc(Br)n2)c(Br)c1=O 2179691656 NOZWPZDIIYEPQA-UHFFFAOYSA-N 404.066 1.658 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195292582 VKDBWKRBHFSDQC-PGGUUEOZSA-N 402.513 1.692 30 10 HDEE C=CCn1ncc(NCCn2cnc(I)c2)c(Cl)c1=O 2237127866 OLLWPXRLLJBASA-UHFFFAOYSA-N 405.627 1.996 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243385366 HIGOPIGJTYLRTH-CMDGGOBGSA-N 406.292 1.520 30 10 HDEE C[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243424766 XIZKMATUUSBJIX-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2247858561 OOOVPYBJUWYMSD-CQSZACIVSA-N 421.303 1.605 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2247859387 USHGRPUJMBWVRP-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248405397 UDVGWRXCFXBTIM-UHFFFAOYSA-N 421.303 1.861 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCCC#CBr)O[C@H]2C1 2250002281 JDWQVVRPXIJQSR-AVGNSLFASA-N 403.273 1.252 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(O)CCSC3)c2)OC1(C)C 2267710849 BSKWYPKSOZZLPT-HNNXBMFYSA-N 405.372 1.194 30 10 HDEE C[C@@H](CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(C)(=O)=O 2281806989 IDYUTNJIOZMAAC-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@](C)(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282321988 DUSCVJLOUHXODJ-KRWDZBQOSA-N 401.359 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CN 2282325363 DJXYMTKXPKUTEI-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE CC1(C)OC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)O1 2282331936 UBANCHXMRKARBQ-GFCCVEGCSA-N 403.331 1.477 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4[C@H](C3=O)C4(F)F)s2)OC1(C)C 2282347442 YGWTXPJCFLCVKU-GZMMTYOYSA-N 405.253 1.460 30 10 HDEE CC1(C)CC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N1 2282418369 IDUPHDFNADHPNR-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCCC[C@@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282497248 NNXRWPYFTDRTMH-KBPBESRZSA-N 407.363 1.449 30 10 HDEE CN(CC1CNC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502883 QXYXSVMKZJJPRU-UHFFFAOYSA-N 400.737 1.479 30 10 HDEE Cc1ccnc(C(=O)N2CCC[C@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2282625249 SHOSFURJXVKHCF-HNNXBMFYSA-N 402.300 1.914 30 10 HDEE CN(C[C@@H]1CCCO1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846150 FMORKCIVVBUZQW-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883120 WDQDRBAPNXZITI-TZMCWYRMSA-N 401.359 1.971 30 10 HDEE CC1(C)[C@H](C(=O)O)[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284398990 DYHIZWLGLVBHPB-NWDGAFQWSA-N 401.315 1.435 30 10 HDEE C[C@@H]1C[C@]1(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399144 GSUYVWNOKSPIJR-QLJPJBMISA-N 401.315 1.436 30 10 HDEE C[C@H](C#CC(=O)O)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2318652827 YJRPURLTVHVXKG-CQSZACIVSA-N 406.460 1.239 30 10 HDEE CC(=O)NCc1nnc(SCCCO)n1N=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330798630 YCGVEPMNDAYJHT-UHFFFAOYSA-N 412.859 1.833 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 2365208549 DBAHTHONQOSASG-ZTENYAIWSA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C1CCOCC1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367786169 HPDBHJKRYIMIAI-HOTGVXAUSA-N 401.525 1.495 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCCN1C(=O)OC(C)(C)C 2367803109 ICHZIKVNCMXDSR-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(Oc2ncnc(Cl)c2C#N)CCCS(=O)(=O)C1 2368365357 ROBCGYPCXWSGJA-MRXNPFEDSA-N 416.887 1.853 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372916899 MVALNXZDOVSOAC-KSSFIOAISA-N 404.529 1.762 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCc1ccc(F)cc1 20806451 APPZJTCPOAQFRN-LSHDLFTRSA-N 415.454 1.691 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)cc1 21324334 KPCJZXJQCRKGFT-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C=CCOc1ccc(-c2nnc(CCC(=O)NCCCOC)c(O)n2)cc1OC 34766214 TVEITJLSEVEUGG-UHFFFAOYSA-N 402.451 1.903 30 10 HDEE CN(C)c1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254495830 SESIRTZMCUHHLG-UHFFFAOYSA-N 412.498 1.057 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)CC1 460618074 IBMSEBRURBKXQW-UHFFFAOYSA-N 409.494 1.624 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 460791503 KMFWQOWJQMHYPJ-OAHLLOKOSA-N 405.528 1.819 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CC1 460860556 RMQGACBSJMTULX-FHWLQOOXSA-N 412.538 1.061 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)CC2)cc1 463885126 BZPBDBWBLBRSOM-HNBVOPMISA-N 409.442 1.090 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@H]32)C1=O 476794034 ZOOJVIBIFJEBMM-KFWWJZLASA-N 419.478 1.465 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 479890125 MWNBSVWSIYGFDQ-JKSUJKDBSA-N 410.565 1.643 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC1)C2 501045695 SDEXLYIJLJUMLY-ROUUACIJSA-N 406.527 1.770 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1 503454593 ODKIXEQAGOYUFU-BJIKSOGJSA-N 405.479 1.725 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 511060460 SPPPYKCGGMJLRU-KRWDZBQOSA-N 412.943 1.942 30 10 HDEE C[C@H](C#N)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 518421180 OOYLVFUMSPXZQM-RISCZKNCSA-N 400.298 1.878 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)CC1 524497959 ARDPIPVRPJKSMI-IBGZPJMESA-N 414.485 1.278 30 10 HDEE CC(C)OC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 540549600 QBQRAHSFQRNVTF-DLBZAZTESA-N 404.536 1.873 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546183390 FHBUZQNIKHJGGU-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 549495196 KDLATUMZTDDJTJ-LSDHHAIUSA-N 421.461 1.100 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)ccc1Cl 580169289 MHPLSDKBTAOQIJ-UHFFFAOYSA-N 403.913 1.400 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 583099922 CNMOULHQCSSOPT-SJLPKXTDSA-N 424.480 1.565 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@H](C)c3ccccc3)CC2)CC1 604821866 AGYJANRUCAOONF-LJQANCHMSA-N 413.566 1.841 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(OCC(F)(F)F)c1 732444015 GSONJRHTGQHIKE-FOCLMDBBSA-N 412.368 1.953 30 10 HDEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732647688 HXYSFPGFJBZCNG-INIZCTEOSA-N 404.536 1.884 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NC12CC3CC(CC(C3)C1)C2 741340822 HGGYZXLWYGCKBU-VXPUYCOJSA-N 401.463 1.531 30 10 HDEE CC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1F 741689129 AIOWUGWSPNQEAE-MJWGMMHASA-N 406.389 1.175 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)cc1C#N 757759966 CXSWFDUELCUZIR-UHFFFAOYSA-N 412.454 1.903 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCN1C1CC1 766551626 FFDGRXHGPWRDEZ-IUODEOHRSA-N 405.861 1.966 30 10 HDEE C#CCN(C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 774029213 LWTISYARWGGIQV-AWEZNQCLSA-N 412.895 1.833 30 10 HDEE COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cnc1Br 788346939 AAZQKHYALDZOQK-UHFFFAOYSA-N 410.249 1.984 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)n1 788814063 TVLMAEBINGJPQU-KRWDZBQOSA-N 410.474 1.696 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CC)c(S(C)(=O)=O)c2)n1 788815018 SWQXPWSKZLXQOI-UHFFFAOYSA-N 403.504 1.771 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 789810227 KECAFWXLQVTNAB-UHFFFAOYSA-N 411.437 1.694 30 10 HDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccccc2)c1=O 790356206 PSHYMEKOCSTASU-UHFFFAOYSA-N 405.483 1.549 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC2(C)OCCCO2)c1 792739786 XXGPPOGKSIUMGO-LTGZKZEYSA-N 410.496 1.774 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2cccnc2F)C1=O 794451476 WUBCNNDWGZGXDZ-CYBMUJFWSA-N 403.439 1.892 30 10 HDEE C[C@H](C(=O)O[C@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 798740002 HRPFJGIIVYIPAA-MFKMUULPSA-N 404.224 1.822 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)CCN1C1CC1 804997119 SVGZQVYOWPOMBB-GFCCVEGCSA-N 405.448 1.044 30 10 HDEE C#CCC(CC#C)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 807764508 WIHGZPTXMOXJMX-UHFFFAOYSA-N 411.321 1.815 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2ncccc2C#N)CC1 812468313 FZIZHLKKTDGELR-SNAWJCMRSA-N 400.483 1.866 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(CO)n1 819705946 LCYOAHMFCHQIAG-KRWDZBQOSA-N 416.503 1.344 30 10 HDEE CCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C)c2)c1=O 839285681 FPINLCLZKHAFBC-UHFFFAOYSA-N 422.510 1.838 30 10 HDEE CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)ccc1Cl 916178681 KGRCSUDEGXKWOQ-UHFFFAOYSA-N 412.876 1.875 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@](C(=O)NCCn2cnc(C#N)n2)(c2ccccc2)C1 1128812704 OCURPMJWHGMCLC-OQIWPSSASA-N 410.478 1.891 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1c(I)cnn1C)C(=O)OCC 1132192818 RBDWDSXFLQDYNG-SECBINFHSA-N 411.627 1.829 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CNC(N)=O)C3)C2)C1 1141699292 OQVWKVJTYTUKPV-SDMXJPDVSA-N 419.526 1.680 30 10 HDEE COC[C@@](C)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1150695703 PDDFYONHPNQYND-QGZVFWFLSA-N 410.268 1.451 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCSCC1 1158986347 KFXPSIVNTRNNSQ-CQSZACIVSA-N 414.574 1.788 30 10 HDEE CN1C[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1 1163014820 YRICENQVIXYMSR-QUCCMNQESA-N 412.515 1.298 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1 1167586750 UAAJWMMCQFUCJA-UHFFFAOYSA-N 403.508 1.696 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)c(F)c1 1180189296 LTYFFJOQGRDEAC-QTIQAUKSSA-N 415.400 1.820 30 10 HDEE N#CC1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1186123054 ANGHIUMCHRFPPT-SFHVURJKSA-N 407.492 1.589 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C(=O)OC 1193581643 MXTJKYWOWRKFOV-NSHDSACASA-N 411.402 1.103 30 10 HDEE C#CCNC(=O)CN1CCN(CCC2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 1194648414 KSLSZTAHEFUWFC-IHWFROFDSA-N 418.582 1.922 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](CC#N)C1 1196038943 HEKVVETZXKOVGS-IRXDYDNUSA-N 420.535 1.660 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)CC1 1197351602 KXTUBRHVJMAROD-UHFFFAOYSA-N 410.499 1.875 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1)C(=O)OC 1212123569 QEXBZFLHKDJUEU-SQNIBIBYSA-N 422.503 1.566 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1228477936 DONQZPLLBNQTCX-UHFFFAOYSA-N 413.503 1.420 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](CO)C1 1259108478 BXROVLORWUTYSN-CYBMUJFWSA-N 415.899 1.814 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1277406445 ONRXLRWTPBMRFZ-FHIRATQRSA-N 411.462 1.229 30 10 HDEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286333593 LTQUQNRETGWAHX-LJQANCHMSA-N 420.517 1.014 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1C[C@H](C)O[C@@H](C)C1 1286469354 SOXONIXEKYQSET-IRXDYDNUSA-N 403.527 1.690 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC(OCC)C2)CC1 1286474541 HEAIUEUFYCLRFB-UHFFFAOYSA-N 420.517 1.502 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)CC2)nnc1[C@]1(OCC)CCOC1 1286793029 PHVIBNXRGXFGQB-SFTDATJTSA-N 421.542 1.628 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nccs1 1288117160 OFHZHGZQWVFVJU-UHFFFAOYSA-N 424.490 1.456 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1288981352 ABVWNEQWPMDZEZ-GOSISDBHSA-N 407.540 1.300 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(=O)N(C)C[C@@H]2C(=O)OC)s1 1289517634 UEGLMZAMJKQQDV-LLVKDONJSA-N 417.940 1.681 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cs1 1290418172 QXBRZYOYNFZTNM-ROUUACIJSA-N 403.487 1.554 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1291827371 ADBXQVAPVKKWDO-RPWFAHAXSA-N 422.505 1.749 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(NC(=O)OC(C)(C)C)s2)CC1 1292889587 GXHOVPGUKKWBLM-UHFFFAOYSA-N 421.523 1.387 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(c3nc(N)ns3)CC2)cc1Br 1294502068 GYJJSWYHTCPMLE-UHFFFAOYSA-N 423.296 1.482 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1)c1cc[nH]n1 1296046561 ULFYEYRQGRZQNL-AWEZNQCLSA-N 408.455 1.274 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](C(N)=O)c3ccccn3)C2)C1 1298370411 BQLBVDXSNMDLEI-BNRUBQPISA-N 413.478 1.511 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1299210840 QWSSSVHSVPOOTE-PGRDOPGGSA-N 424.505 1.727 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)C[C@H]1O 1299421039 PCOXLNXXGMXARO-PAYONLEZSA-N 411.462 1.670 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)C[C@H]1O 1299421040 PCOXLNXXGMXARO-UNQWWWNPSA-N 411.462 1.670 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](C(C)C)N(C)C)CC1 1299464335 XFVWPNPJVJBDQX-BCRJPVCJSA-N 401.551 1.449 30 10 HDEE CN1CC[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1299745204 GNAFJSBWLBJPQQ-XAHBDIOTSA-N 404.511 1.758 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1300307293 DJPWZBWKGFISMD-UKRRQHHQSA-N 405.524 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1(OCCOC)CCOCC1 1300315439 XNMFLYTXXPUKSQ-GOSISDBHSA-N 413.522 1.934 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N(C)CC(=O)N1CCOCC1 1300418854 AZOJTIORERPHNM-UHFFFAOYSA-N 411.506 1.608 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300491973 KLRQRNBVXGTPRN-DLBZAZTESA-N 417.535 1.356 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F 1300586882 MOWIIHMZXKDCSC-UHFFFAOYSA-N 404.396 1.405 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1300622423 YJHVWVJKNMDEDG-MRXNPFEDSA-N 421.505 1.774 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CC(F)(F)CO2)CC1 1300683401 NNZLDTSCTVSTTK-JKSUJKDBSA-N 413.469 1.182 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)COc1ccc(C#N)cc1 1300933085 ZWKSUZHKRAXEEY-FQEVSTJZSA-N 405.451 1.052 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300944260 SBVJVSOIXYSHDO-VQIMIIECSA-N 410.526 1.300 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300944377 WCKIPPZXFBEFCL-UHFFFAOYSA-N 410.526 1.446 30 10 HDEE C=CCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301473599 FHSFODCKZTVNSU-APWZRJJASA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(F)(F)F)CC1 1301491108 LPJUOLXPEBJRMR-UHFFFAOYSA-N 411.432 1.650 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1301688906 YMNHITCTWRFMCG-OKZBNKHCSA-N 402.499 1.159 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301841411 UPYMLGAXWSCKRD-HNNXBMFYSA-N 414.466 1.652 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1301951487 ADPYQUOJMNRITI-MSOLQXFVSA-N 417.558 1.347 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1302292940 DVALGNAQBWFDPJ-TYFMXVJSSA-N 419.526 1.672 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1303642048 GBWJFHCWRCDCKE-SCLBCKFNSA-N 420.564 1.876 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1306533781 CTERPOYWHVYVDL-DJJJIMSYSA-N 402.455 1.286 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(Cc1ccc(Br)cc1C#N)C2 1308146571 DMLFYKUKFUTJSU-HNNXBMFYSA-N 403.284 1.693 30 10 HDEE COc1ccc([C@H](C)NS(=O)(=O)N2CCO[C@@H](C#N)C2)c(Br)c1 1309361292 DWGFXAYYQLKNNG-JQWIXIFHSA-N 404.286 1.577 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)OC 1309762306 SKYGGRPTYNZSHL-ZDUSSCGKSA-N 408.398 1.765 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)c(=O)nc1O 1312467733 BQYNYFCZHYROSQ-HZPDHXFCSA-N 401.398 1.179 30 10 HDEE CCN(CC)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1313710485 DWCOTUOLKUFFJV-INIZCTEOSA-N 412.498 1.386 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N(C)[C@H](C)CC#N 1314558047 HSISCANSOSDLKB-CQSZACIVSA-N 406.512 1.631 30 10 HDEE CN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1314641623 DRMIBWRYROYIFE-UHFFFAOYSA-N 411.485 1.656 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1314915815 TUFFYAOBGRWKBV-MSOLQXFVSA-N 413.526 1.249 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1315074114 GXRRNTPQNNCADD-INIZCTEOSA-N 417.491 1.251 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1)OC 1315803012 BZSGLRUIMYBFFX-OAHLLOKOSA-N 416.482 1.797 30 10 HDEE COCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316264446 YLGREAGRVMBPGA-KRWDZBQOSA-N 414.485 1.924 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C)cc1 1318641834 QEIOJADVGIFGMW-VQIMIIECSA-N 413.455 1.591 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)C[C@H](C)O1 1349090206 NKKSGUZBSRABNU-GJZGRUSLSA-N 414.487 1.932 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1358981613 QQNHPZRJXFZNOW-UHFFFAOYSA-N 417.473 1.184 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1358994192 HEIBTTKGNSATOA-IBGZPJMESA-N 417.473 1.923 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(=O)N(C)C 1359074994 ZWIPQVJINJTACK-DJPFJPOOSA-N 403.527 1.863 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359090139 VISPZRQSCKACRA-CHWSQXEVSA-N 411.304 1.594 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359122134 ZRXIWNURZVWJMO-QRWLVFNGSA-N 420.510 1.993 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359225626 FNFWCJYPDRPXHJ-HXUWFJFHSA-N 402.499 1.563 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1359240791 XKCXUBXPYNAUIU-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1359303268 IVLOXUQUECTZHZ-UHFFFAOYSA-N 404.515 1.447 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1359336671 YDCQOZLGPSMVCS-UHFFFAOYSA-N 407.540 1.823 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1359456281 URLGNFMDPQDTSB-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)Nc1ccn(CCC#N)n1 1444473611 AVSSMVDGBGKOPQ-INIZCTEOSA-N 406.487 1.791 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncccc3F)CC2)s1 1447323409 ZCJOTYPDHNIUAN-UHFFFAOYSA-N 424.523 1.638 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C3CCC3)CC2)c1C#N 1447777448 FWPUTAVEYSTAGZ-KRWDZBQOSA-N 416.526 1.942 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3cc(C)[nH]n3)CC2)s1 1447968382 QGDIMIXVFQRXSV-UHFFFAOYSA-N 423.564 1.572 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N[C@@H]1CCN(O)C1=O 1450155029 HOWXNGOCDALINQ-CYBMUJFWSA-N 403.439 1.167 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1452948430 UQWLVADPMJTPRW-IBGZPJMESA-N 401.488 1.727 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1456159662 FVPIHVRMZZIFSM-UHFFFAOYSA-N 400.460 1.744 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 1456955051 MBJBSIBJVJGLAK-WMZOPIPTSA-N 410.430 1.925 30 10 HDEE COC(=O)c1cccc(CN2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)c1C#N 1460721908 AIVDZMVSYBXMIV-UHFFFAOYSA-N 414.462 1.266 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(I)cn1 1466130412 MLSKFHOWJSAEKA-UHFFFAOYSA-N 410.219 1.568 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1470101526 CMJNJKQVDHNMAU-FUHWJXTLSA-N 403.479 1.532 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)C(=O)OCC 1471117928 HVVQWTAXYHXZBH-AWEZNQCLSA-N 400.884 1.627 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2O)c1 1472228149 GSRATWRPQDVNCZ-UHFFFAOYSA-N 420.443 1.904 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1OC 1472518626 WIOMHDYNYFPWHX-PGRDOPGGSA-N 416.522 1.493 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCOCC1 1473266089 RHSWDDMAOHNGAQ-QGZVFWFLSA-N 410.522 1.401 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1478853670 BGHXANBJOIHRCN-BBRMVZONSA-N 415.462 1.572 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1503890716 HWACIVGWHTVKDD-NRFANRHFSA-N 423.477 1.183 30 10 HDEE CSCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1505244720 DJIQZLVRYJNGCM-ZDUSSCGKSA-N 404.496 1.878 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1507523809 PUUFJVMJGROEON-VFCRVFHLSA-N 400.479 1.960 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1507612364 SRHFVTOQYOVLEO-UHFFFAOYSA-N 407.478 1.271 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C 1507643425 VKVAVWYWSSDWCR-MRXNPFEDSA-N 417.510 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1507647440 BVCWRLAMEIKKDD-LJQANCHMSA-N 402.502 1.858 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)CC1 1507897296 PDTYVSMTTISIBE-CQSZACIVSA-N 421.571 1.689 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507954095 KPPXIDQHKOGRMV-ZACQAIPSSA-N 410.540 1.531 30 10 HDEE C=CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508068244 VYTGXPWDKPXDHU-NRFANRHFSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1508079213 POBASEQTXKJGSL-GASCZTMLSA-N 415.494 1.878 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)CCC)CC1 1508081755 OOLDQYSWPFUAFR-UHFFFAOYSA-N 411.510 1.527 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCOC2)C1 1508087563 TYLSMYFIISWBLM-QFIPXVFZSA-N 411.506 1.797 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C1CC1)N(C)C 1516593266 YCIGKTSRSGXURL-IBGZPJMESA-N 424.553 1.748 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1521062817 JYZTVBRKYGTOMX-IFXJQAMLSA-N 402.430 1.637 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)cc1 1521095938 TUOLCFCXLNDXAL-QUCCMNQESA-N 422.489 1.989 30 10 HDEE CC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)N1CCOCC1 1531979344 CESORCVRQNYZII-HNNXBMFYSA-N 410.268 1.453 30 10 HDEE Cn1ccnc1[C@@H]1N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1(C)C 1533674486 ZSCYSSJDCXFWNT-INIZCTEOSA-N 401.492 1.835 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 1534260884 CIRMQYUGJRCAST-LLVKDONJSA-N 416.297 1.240 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1539086536 IACQRDNHALXFDN-RTWAWAEBSA-N 417.510 1.765 30 10 HDEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539094011 IYNPMSABCJJRQR-YJBOKZPZSA-N 415.469 1.922 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C(=O)NC 1539101937 NDOMRIFMDFTEKK-HNNXBMFYSA-N 417.535 1.580 30 10 HDEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1539142147 KZUQZQFVNGLPPO-AAEUAGOBSA-N 413.454 1.822 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@@H]1C 1539172058 SOAQQVZIQHYEGL-OYHNWAKOSA-N 406.490 1.813 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539221481 OOPRDWXMUXWMOP-ZWKOTPCHSA-N 420.535 1.146 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCOC[C@@H]1C 1539245898 LSJWCOLCMAWWBW-SFHVURJKSA-N 423.517 1.756 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC(=O)N1 1539406292 YAIJPVNTGLFONT-MRXNPFEDSA-N 411.462 1.081 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CN3CCCC4(CC4)S3(=O)=O)n2)cc1 1539479174 UGPWQYNQDAJLBO-UHFFFAOYSA-N 400.464 1.095 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCCS1(=O)=O 1539552176 JKQJROMHHJDQGM-QFBILLFUSA-N 402.524 1.638 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1539729875 MDCKXGTYMGFSIQ-KBPBESRZSA-N 403.574 1.423 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2n[nH]c(C)n2)CC1 1539889744 BRXRZMCRSBVRRD-HNNXBMFYSA-N 405.528 1.252 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540006128 QTLZSAJZSCKJGS-KRWDZBQOSA-N 404.515 1.322 30 10 HDEE C=CCCOCCn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1540040442 UANXQCYSSZBCSO-UHFFFAOYSA-N 420.535 1.993 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cn2)C1 1540881628 OHDHMZNWWZWADA-KRWDZBQOSA-N 400.458 1.878 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1COCCO1 1541364246 CXKUJDDDLRTWRG-CVEARBPZSA-N 412.498 1.194 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1541687004 CBEOJHDALGKCKI-SFHVURJKSA-N 421.505 1.542 30 10 HDEE COc1cccc2c1OC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1542875506 KBXGRMZDAMRQRP-ZDUSSCGKSA-N 404.419 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN(S(C)(=O)=O)CC1 1543145627 YIVNITGJYKXTLF-AWEZNQCLSA-N 402.517 1.114 30 10 HDEE C#CCN(CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1544645215 NCGNYZMDMJBIDT-JOCHJYFZSA-N 401.507 1.610 30 10 HDEE C=C[C@@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1557342181 PUCQAZAFNFGILQ-MRXNPFEDSA-N 409.508 1.230 30 10 HDEE CC(C)CC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1558643215 PNGFVLDVXJZOLS-ILZDJORESA-N 403.504 1.287 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1560004421 GBAUGICJXLFZNV-CZUORRHYSA-N 407.854 1.967 30 10 HDEE CO[C@@H]1CCOC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1560172589 ARLVAVVKUKKYNX-XFQXTVEOSA-N 416.522 1.750 30 10 HDEE CC(C)(C)c1ccc(CCNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1560193855 MFUANGJIUCMVLK-GHTZIAJQSA-N 403.548 1.513 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Cc3ccccc3)C2)CC1 1560215608 FSAQNBYWWCYDTA-QHAWAJNXSA-N 424.570 1.992 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531876 ZUWUVGQMVGSQBT-BHYGNILZSA-N 402.499 1.896 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1569719009 YVQUJEXIWZATMC-VIFPVBQESA-N 403.158 1.773 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1574482788 NOZPOTQFRGWYAK-KPLDXPABSA-N 404.511 1.066 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1cc(F)c(C#N)c(F)c1 1584766531 VIAIKEAHDUTSPL-LJQANCHMSA-N 411.405 1.565 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1586552730 SUXGOJOXILGGRS-VQTJNVASSA-N 416.547 1.248 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1CCCO 1588016822 WQFFLHSEILNEQH-QGZVFWFLSA-N 401.486 1.912 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(CC)CC)CC1 1588864522 FCOOHWJOOZYUGQ-HXUWFJFHSA-N 412.586 1.625 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1593740568 CFISGPUWUUTSON-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1595537493 RYHZLYVIWYNDGV-UHFFFAOYSA-N 423.521 1.273 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1595562352 VXVGSGPJOLBICJ-FQEVSTJZSA-N 423.565 1.878 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2C)C1 1595723029 QBZKQGKNPUQTJR-SJORKVTESA-N 417.535 1.713 30 10 HDEE N#Cc1cncc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1596861809 PGGHRTOLWZHDFE-UHFFFAOYSA-N 406.489 1.090 30 10 HDEE C=CCn1cc(CNC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)nn1 1598181798 LAGFWQDHHZIXGI-CYBMUJFWSA-N 401.471 1.730 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC(=O)NCc1ccco1 1612611382 OUAZKTXHHBIVIL-IBGZPJMESA-N 406.446 1.946 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NCCc3ccccn3)cc2)CC1 1615209898 WRWLQWMCLFDDDZ-UHFFFAOYSA-N 419.529 1.634 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(I)c3)C[C@H]1CS(=O)(=O)C2 1616336838 SHWQNCUXBDCETR-JOYOIKCWSA-N 422.269 1.363 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1617631576 BYMXMOORXNZAPN-MOPGFXCFSA-N 412.542 1.918 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@@H](O)c1cccc(C#N)c1 1618805451 ZWPXVBFCAYKHPE-QGZVFWFLSA-N 404.448 1.410 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1622130379 AVVZEZIFVMUXST-INIZCTEOSA-N 416.565 1.857 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)OC)CC1 1622372117 CVNQCYXTROEBJG-UHFFFAOYSA-N 402.266 1.385 30 10 HDEE C#CCN(CC(=O)N[C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1)C(=O)OC(C)(C)C 1623335520 UZSXNAUEBPYKFV-CYBMUJFWSA-N 417.470 1.928 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 1623669914 XHLZYPOGEMWLJQ-IERDGZPVSA-N 415.494 1.362 30 10 HDEE CC(=O)NC[C@@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1623688627 JNBCSWOMQXGPHJ-ZWKOTPCHSA-N 411.462 1.280 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NCCNc1ncccc1C#N 1626860963 KHWLMIJGDRIJHB-UHFFFAOYSA-N 403.446 1.568 30 10 HDEE C=CCN1CCC(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1628374929 DBVGXIKEHKBAJL-QGZVFWFLSA-N 408.543 1.516 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1628508213 MKBRYXXBGOTRAA-CQSZACIVSA-N 419.503 1.475 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@]34CCCC[C@@]3(COC4)C2)cc1 1630436518 GTJMZZAIXYEBNL-PMACEKPBSA-N 403.504 1.911 30 10 HDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CCN2CC(F)(F)C[C@H]2C1 1631039501 QPWIDAOOOQYQKE-QMMMGPOBSA-N 418.313 1.997 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OC)c1ccc(OC)c(O)c1)C(=O)OC(C)(C)C 1633328243 ZORZVICLCXJIBG-KRWDZBQOSA-N 406.435 1.601 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1633679440 MLQYOOFWBGSTRU-NSHDSACASA-N 409.414 1.426 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1633731311 JLRSVKJPMGLDAX-CXAGYDPISA-N 410.517 1.657 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 1633739293 RLAHBSCIFNRUIW-XUJVJEKNSA-N 419.425 1.793 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCc4c(nnn4CCOC)C3)n[nH]2)c1C 1636329800 ALQDRBBVVJWFRT-UHFFFAOYSA-N 410.482 1.512 30 10 HDEE N#Cc1ccnc(N2CCN(c3nc(N)nc(C(F)(F)C(F)(F)F)n3)CC2)c1 1639167900 XXJJRPFHWGTQET-UHFFFAOYSA-N 400.315 1.701 30 10 HDEE Cn1nccc1[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 1639619063 KGFIMWAFOTUPEN-GOSISDBHSA-N 402.495 1.971 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2(C#N)CCCCC2)c1 1640648783 HVVNMQPPHUMIIG-UHFFFAOYSA-N 406.508 1.257 30 10 HDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)CCOC1 1643889987 UTLUBIIRLWFJIN-LJQANCHMSA-N 406.870 1.100 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)c(C(=O)OC)n2)c1 1645139599 JMZFLXWLPAMIGS-UHFFFAOYSA-N 421.862 1.363 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCc1ccc2c(c1)OCO2 1645531831 NLXTUBFKSLDGPV-CQSZACIVSA-N 415.471 1.655 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2)[nH]n1 1647742943 MKDCCDGZGYVTNC-CYBMUJFWSA-N 405.455 1.709 30 10 HDEE C[C@@](O)(CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1F 1648501155 YGIUUHFNAXVNFL-IUIKQTSFSA-N 417.300 1.666 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)cc1 1648615213 PXLIBXIBOXDYPL-HHHXNRCGSA-N 419.528 1.961 30 10 HDEE CN(CCc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1649035777 LOKKCAFLBHQVIU-UHFFFAOYSA-N 401.444 1.266 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1c(F)cc(C#N)cc1F 1655408488 CTMXJXSAXAYIQF-LLVKDONJSA-N 405.423 1.343 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CC1 1659630839 WHDKKKOCKRUYFO-UHFFFAOYSA-N 406.489 1.936 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1663063007 SAHGBQDEOLNEBS-OAQYLSRUSA-N 410.315 1.042 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(CCOC)C2)c(C#N)cn1CCOC 1670018688 HSVJAIKCZZQPSV-HNNXBMFYSA-N 407.471 1.025 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1673759600 IFHWZOHCRJGSSB-MRXNPFEDSA-N 408.524 1.173 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(CC)CC2)nc1 1673964693 XMXMOEYPRLRAJD-UHFFFAOYSA-N 415.538 1.710 30 10 HDEE C#CC1(O)CN(C(=O)NCCc2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1 1677336334 VMEHPBZHLXTLQS-UHFFFAOYSA-N 407.470 1.945 30 10 HDEE C=CCN(C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H](C)COC 1679624770 BLZLABQDJXCLSE-YSIASYRMSA-N 400.523 1.818 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCC[C@@H]2CCOC2=O)CC1 1683839001 BNMYKKZUHINGMN-CQSZACIVSA-N 413.434 1.981 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 1684083151 PVLPLWUUBHSDJM-IAGOWNOFSA-N 419.323 1.729 30 10 HDEE C#CCN(C(=O)NCc1cccc(COC[C@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1684196485 JUGWPUSQYUKCFE-WOJBJXKFSA-N 420.531 1.714 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1684480861 SFLGFKBGHATTMT-INIZCTEOSA-N 419.551 1.498 30 10 HDEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCO[C@H]1c1ccncc1 1686171048 MHSLVNPSZZNOTA-RXYDEIHYSA-N 400.504 1.664 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1689853524 VBGCARDOHUUGLH-YESZJQIVSA-N 407.540 1.425 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1689892997 RPNVDMOUERXANG-KBAYOESNSA-N 406.552 1.987 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCCNC(=O)OC(C)(C)C 1689943701 ZXZFPYBMPHXUAF-UHFFFAOYSA-N 404.515 1.888 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689989701 HZNWQYDIWPKRBT-INIZCTEOSA-N 407.540 1.041 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690078702 DSAGIBAACLQLIE-UHFFFAOYSA-N 420.510 1.407 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1690497957 ZDSUCAGNWCGRER-OAHLLOKOSA-N 414.466 1.517 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1690624226 KCWLNIICVPHFRK-UHFFFAOYSA-N 408.506 1.958 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)(C)C)CC1 1690655208 KULYHIPAUNURKL-UHFFFAOYSA-N 417.558 1.127 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1692520673 CKKCHYOKOHIKES-IBGZPJMESA-N 400.462 1.368 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1C[C@@H]1C 1692538182 UXPOGWPBNNIZAG-RDJZCZTQSA-N 408.510 1.666 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1692666114 BBZUARPYDGEMDX-WFASDCNBSA-N 404.421 1.941 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695866842 AYXFOFYCHHLLMA-OXJNMPFZSA-N 415.521 1.147 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC(=O)N1 1698062820 IQSIFHYBFLOETM-JFIYKMOQSA-N 418.542 1.842 30 10 HDEE CS(=O)(=O)CCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1698304857 HPCPWSUBUCDCKI-UHFFFAOYSA-N 402.524 1.829 30 10 HDEE N#CCSCC(=O)N1CCC([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1705299252 FAGNGGQRHYISTR-SGTQZHETSA-N 403.548 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705491816 IKSQXRINGSHABP-DZGCQCFKSA-N 423.564 1.588 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1705567485 WWTGUISXTJAFHB-MJGOQNOKSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705570159 KNJQZSSRBBXTIP-KRWDZBQOSA-N 419.551 1.951 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C2CC2)C1=O 1705571939 LYKRKXPNVHKSTI-JOCHJYFZSA-N 410.522 1.280 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1705584908 CLFBDFZTVPRAJG-UHFFFAOYSA-N 401.474 1.289 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705639613 SDCFYBUNYNKIBK-JKSUJKDBSA-N 415.460 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCn2cc(C)cn2)CC1 1705652972 UNRHURKDHPRZGJ-GOSISDBHSA-N 411.510 1.301 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1705735257 MIIHTGMJPYZOIC-QGZVFWFLSA-N 407.515 1.060 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705830632 UIGDBUNVTCDEDA-ZACQAIPSSA-N 408.499 1.473 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CC(N)=O 1705907482 OIGRJTCZMYAFEP-HNNXBMFYSA-N 409.494 1.283 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1705928654 SOBHAHLSLNHFSI-HSALFYBXSA-N 418.586 1.937 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1706075176 KMXNWVAXIPBRFD-STQMWFEESA-N 405.471 1.448 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1709488507 CHRWZRLVLVMRES-JOUJLLDFSA-N 415.498 1.380 30 10 HDEE CN(CC1CCOCC1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711165131 NUZWZOFOVRNNGR-ZPHPHTNESA-N 400.483 1.545 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@H]21 1712653691 TWWMYWGJTHOPDZ-RCCFBDPRSA-N 415.519 1.580 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCN(CC)C1 1722350471 AWVCSPPAPAXJSU-GOSISDBHSA-N 408.554 1.863 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1722354067 YXSSKXNPTRXZGR-ZDUSSCGKSA-N 408.384 1.683 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(O)cc1 1722467909 XOWRGYBYTLDXOF-AUUYWEPGSA-N 403.508 1.634 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CC(=O)N1CCOCC1 1722475192 XFPCFCPZNMSRQP-HSZRJFAPSA-N 407.518 1.914 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722598690 OAYNZOALZXXGGE-ZWKOTPCHSA-N 404.559 1.930 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1scnc1C 1722702888 SUVHBZOQRDICAR-UHFFFAOYSA-N 414.539 1.843 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703460 AGQLOELMSHUUKH-FIKGOQFSSA-N 421.542 1.482 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1722707092 GHYQUWASKFRJLC-SJORKVTESA-N 408.462 1.571 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(C)C)C1 1722719675 YMXKAYWUHIYXGA-IRXDYDNUSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1722732579 MZFAYZSFQYMJGX-UONOGXRCSA-N 403.574 1.423 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722868344 FFXXRMANBFIAPZ-AWEZNQCLSA-N 409.494 1.090 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1723773089 OZFXMQPEHFUDMV-BFUOFWGJSA-N 402.455 1.550 30 10 HDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1729555912 QMOMAWMFZWVJIR-UHFFFAOYSA-N 424.505 1.538 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)c1 1730232205 FJMYANXFJDJDTA-CQGGRAHPSA-N 415.519 1.984 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1730763042 AHAQYAXCNITRMY-QGZVFWFLSA-N 418.523 1.065 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1cc(C)on1 1736554435 YIFMCXATZOLEDQ-GJNTUIEKSA-N 403.479 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1740531510 NCRUAFNXAHIZLW-GOSISDBHSA-N 424.553 1.411 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1740540021 TUOJUIRGFKCHHT-ZDUSSCGKSA-N 403.464 1.888 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1740580795 IPBOCASSIHCPQG-LBPRGKRZSA-N 413.935 1.325 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740626436 KQWIDWKFDKUMRH-RTBURBONSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1740629122 BIWXCWFRMSSRSA-UHFFFAOYSA-N 414.510 1.454 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccccc1 1740639224 TZWZKOVFZLMWDX-QHCPKHFHSA-N 417.469 1.986 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccn(C)n1 1740654287 HLOIWHPLHLZXGU-UHFFFAOYSA-N 412.501 1.956 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(C)C(C)(C)C2)CC1 1740691057 TVDCSQZZYNNTIP-IBGZPJMESA-N 401.603 1.573 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)CC1 1740752403 WHCXVPNHFGSCGC-ZACQAIPSSA-N 412.556 1.552 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740781635 RIUOFJXETDDWBQ-KRWDZBQOSA-N 408.506 1.829 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740808935 CVGPLQGDPXIASE-CHWSQXEVSA-N 409.874 1.998 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCOC2)CC1 1740835374 FIAVTKJQCPPMCV-LEWJYISDSA-N 406.527 1.873 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C 1740965334 NXTVZIYIJQLKPJ-MRXNPFEDSA-N 401.515 1.672 30 10 HDEE Cn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cn1 1748017128 FQIYEZQPBIYNPO-INIZCTEOSA-N 403.512 1.092 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1748170173 HXBMCJLSJOZVGT-PGRDOPGGSA-N 424.505 1.585 30 10 HDEE CO[C@H](C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748393572 CEOGPTDBRUVLGG-PLMTUMEDSA-N 418.542 1.530 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1 1748638001 HSCDZOMPZZAXJZ-DOTOQJQBSA-N 402.543 1.913 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1748714592 JKHGOEWQTJNYNA-KRWDZBQOSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748809194 KLDAVIPFGXOWEH-WBVHZDCISA-N 418.519 1.615 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749297446 GCARPRZOXONVIF-QGZVFWFLSA-N 410.478 1.298 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749456273 AHPDKUMMLVUMAN-WBVHZDCISA-N 404.515 1.415 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749664046 VTYAANUBBIBIOG-HNNXBMFYSA-N 405.453 1.852 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CC1(c2ccccc2)CC1 1749677762 JXWMAPYPDRRTGO-UHFFFAOYSA-N 422.533 1.871 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccco1 1750027512 MYBHFMFRCOXOIW-NVXWUHKLSA-N 400.483 1.820 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1760190038 XLIKHINKCMJENG-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1760461587 ZQTICYPTIZGPDD-YJBOKZPZSA-N 424.505 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760519822 QVQPEEIZZJVDGG-UHFFFAOYSA-N 408.506 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](COC(C)C)C1 1760520804 AAKCZLVXOUCXSR-KRWDZBQOSA-N 414.510 1.581 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760522210 NWAANFFJVHGIKO-MRXNPFEDSA-N 414.485 1.550 30 10 HDEE Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1761607291 FGUZFCIFLNDQBC-OCCSQVGLSA-N 408.532 1.149 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1 1762024404 HHEWHISDFXBXQD-IBGZPJMESA-N 414.510 1.473 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1771178917 KFMCMYDKPPZOGE-HOCLYGCPSA-N 411.528 1.177 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 1850214625 QSVIIWWHFBXMBG-SFHVURJKSA-N 411.506 1.313 30 10 HDEE C=C1C[C@@H]1COC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850609788 OLCBTMRWGIFZTH-CYBMUJFWSA-N 403.460 1.083 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)COCc3nc(-c4cccnc4)no3)CC2)cc1 1851095715 DTHLHURPZOUGQO-UHFFFAOYSA-N 404.430 1.869 30 10 HDEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2ccc(CC#N)cn2)CC1 1852047654 FVXNNOVYTRGPCM-UHFFFAOYSA-N 417.473 1.695 30 10 HDEE Cc1nn2c(C)c(C(=O)NCCN3CCOc4ccc(F)cc4C3)cnc2c1C#N 1852676659 JVUXKFJBKPCJFY-UHFFFAOYSA-N 408.437 1.981 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3CC(=O)N(C(C)(C)C)C3)c(C#N)cc2C#N)CC1 1852766528 CCRMIEJDQPBVLL-INIZCTEOSA-N 409.494 1.162 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCCO4)C(=O)C3)C2)c(F)c1 1854318953 LMKQCUZBIOIRMP-QUCCMNQESA-N 414.481 1.512 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1C 1854421439 PPLZQJOFSWOQOB-UHFFFAOYSA-N 419.503 1.844 30 10 HDEE C=CCC[C@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 1855301416 PCEKNNXSHRXVLP-GXTWGEPZSA-N 408.480 1.727 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)Cn2nnc3ccccc3c2=O)C1=O 1855832007 IFNVCESSHVMRIA-LPHOPBHVSA-N 409.490 1.740 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)c1 1856463179 CTVSYAHOTRVJEI-LJQANCHMSA-N 415.515 1.731 30 10 HDEE CCn1cc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c(C)n1 1857068765 NNOYHJCXSAXCEJ-SFHVURJKSA-N 407.478 1.041 30 10 HDEE CC1(C)C(=O)N(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1CCCC#N 1857079189 AYCWHGFLCNQGTI-UHFFFAOYSA-N 405.520 1.994 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857082294 MDXOAJDJVWDZRA-GOSISDBHSA-N 424.892 1.873 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857265253 TYLOBCRTFHFMTO-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCCS3)C2)CC1 1857378341 TXINTGVWQBKAQE-FUHWJXTLSA-N 413.547 1.736 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C[C@H]2CCCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857457056 DJOOKJQPWXDGBF-HUUCEWRRSA-N 405.476 1.957 30 10 HDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 1868189555 XTFFPWGNQHSKET-QGZVFWFLSA-N 418.544 1.989 30 10 HDEE C#CCOc1cn(CC)c(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1=O 1870560610 DJEXTNWGLKBWBT-UHFFFAOYSA-N 409.486 1.927 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)CC1=O 1872917952 OVOMNLSRXRYCOF-KRWDZBQOSA-N 412.490 1.857 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1984283070 HYYMTPZPDMQIKQ-VXGBXAGGSA-N 413.334 1.432 30 10 HDEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 1985101180 OXHINYCEAYTWNT-LBPRGKRZSA-N 406.292 1.970 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N=c1[nH]ccnc1I 2178137038 GQHMAFKMADLPSZ-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180120067 QRPNDVNOEWEWGZ-DEYYWGMASA-N 402.488 1.278 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2243413707 LVEHWDFJBCGUGT-UHFFFAOYSA-N 415.324 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247910977 RCHMSBOGZQLVNW-ZIAGYGMSSA-N 422.287 1.601 30 10 HDEE C=CCC1(C)CN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258138829 OVVYYKMYICQHKV-INIZCTEOSA-N 410.492 1.682 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C[S@@](C)=O 2267357245 VWIJQWAOIONBLR-CCGUKBGLSA-N 407.388 1.401 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCS(=O)CC3)s2)OC1(C)C 2267372508 PJZFHZDVLIJVER-UHFFFAOYSA-N 405.372 1.237 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2282027921 WWBFMNIBZYQIRH-MNOVXSKESA-N 400.331 1.138 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282028885 KPTKHILUDMNFCC-VXGBXAGGSA-N 401.359 1.941 30 10 HDEE CN([C@]1(C)CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282508731 AIWKLZSNWYUSJO-QGZVFWFLSA-N 401.359 1.988 30 10 HDEE Cc1nc(S(=O)(=O)NC[C@H]2CCSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282511783 OXGAKTBJLMHDJK-GFCCVEGCSA-N 401.363 1.059 30 10 HDEE CC1(C)[C@H](O)[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616296 ZKFUJIVCQYYSDL-ZYHUDNBSSA-N 401.721 1.657 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282619014 VRVUJLVJVWFYMV-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](N)(C(=O)O)C3)sc2Cl)OC1(C)C 2282620646 HYIAZPJTZARTJH-INIZCTEOSA-N 400.693 1.329 30 10 HDEE CN(CCS(=O)(=O)N(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282626692 DFZZPKBQAUVCET-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE CON(C)CCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829072 ZABQREXPRMCKGF-UHFFFAOYSA-N 424.781 1.862 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849944 IXIIBXJJOIAOKA-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CCC[C@@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282872545 YDRIGLHSBJXUNF-CYBMUJFWSA-N 403.375 1.875 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 2300229783 AVDKEXIOLKLOJP-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE C=CCN1CCN(C2(C(=O)O)CC(NC(=O)OCc3ccccc3)C2)[C@@H](C)C1=O 2345420826 WDSQLRDCARDRCB-NNDYNSRJSA-N 401.463 1.617 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2362507510 HRCUWWIOEGNWIK-RYUDHWBXSA-N 400.331 1.138 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365207978 BMVHYUULEQNMBB-NRTGNBEESA-N 400.541 1.161 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H](C)CNC(=O)OC(C)(C)C 2365214367 ZTMLEGKRRHQVNH-OAGGEKHMSA-N 404.573 1.703 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COCCN1C(=O)OC(C)(C)C 2367786702 ISDFDINSEKBJLT-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2367791673 ZANTVAYSSNFZQR-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369526506 LRVGCJZWZRIUAW-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE Cc1scc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369535964 HNCISPXUPBKHRA-NSHDSACASA-N 401.359 1.861 30 10 HDEE C#CCCN1CCC(=O)N([C@@]2(C(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)C1=O 2378465145 TUUUWTDPJBAUGF-IERDGZPVSA-N 413.430 1.576 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379823371 WOGKQSWBPULZMP-AWEZNQCLSA-N 413.565 1.815 30 10 HDEE COc1cccc(CN2/C(=N\C(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 102618303 PWFODRFQFCSELM-MELMHAELSA-N 410.517 1.471 30 10 HDEE Cc1ccc(O)c[n+]1/C(C(=O)c1ccccc1)=C(\S)NCCN1CCOCC1 139847366 GSFKDKXNXFZJLN-UHFFFAOYSA-O 400.524 1.849 30 10 HDEE Cn1ncc(C#N)c1NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 170550684 TZTOAQUIWHZAGC-UHFFFAOYSA-N 421.438 1.889 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(N3CCOCC3)ccn2)cc1 439466091 GOTQNYLUKFCDNV-LJQANCHMSA-N 423.498 1.944 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)cc1 442288590 DMTLFLMTWVXFHC-IBGZPJMESA-N 422.441 1.389 30 10 HDEE COC(=O)c1cc(Br)ccc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 471927564 OJRQQQBRCZLELT-CQSZACIVSA-N 403.254 1.539 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n1C 473567256 BATCUSKOCXBCFF-GOSISDBHSA-N 415.929 1.618 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nnc2ccccn12 481218868 AZBLQVBSUBECIU-CQSZACIVSA-N 412.475 1.017 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@H](C(N)=O)CC[C@@H]2C)c(C#N)cn1CCOC 481338470 BTRSKCVCZXOSGI-QWHCGFSZSA-N 405.455 1.301 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2C(=O)OC)OCO3)c1 486094708 MLQCYUZLGVQBRM-UHFFFAOYSA-N 418.427 1.919 30 10 HDEE COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 498044557 HNFWNQFXKXCTDK-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE Cn1nc(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c2ccccc2c1=O 505363487 CFNZGEDYXKYOSU-UHFFFAOYSA-N 405.433 1.836 30 10 HDEE CSC[C@H](C)C(=O)N1CCC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 507912873 IQXJZJGZLQVIQY-INIZCTEOSA-N 415.563 1.840 30 10 HDEE COc1ccnc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C)CC2)n1 508187353 BIAHCXTUFVQJCY-UHFFFAOYSA-N 406.450 1.391 30 10 HDEE CC1(C#N)CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 508446838 ASFQNHNRTIUVNL-KRWDZBQOSA-N 413.526 1.617 30 10 HDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(CC(=O)OC)CC1 508921588 LZKIHVZECJOERZ-UHFFFAOYSA-N 407.478 1.612 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1C 514522623 GKQLWXZCSOHUJX-UHFFFAOYSA-N 421.434 1.750 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)o1 537351634 LBBZLHMXISHQCK-UHFFFAOYSA-N 409.489 1.463 30 10 HDEE CSc1nc(O)c(C(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)cc1C#N 538623494 WCOCXSBTPHIYAH-UHFFFAOYSA-N 412.537 1.561 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 540702301 RIMOOHFMBYWZKT-GXFFZTMASA-N 406.240 1.894 30 10 HDEE CN1CCN(Cc2cccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)CC1 545491822 RTHFEZPCVQXPCW-UHFFFAOYSA-N 404.518 1.663 30 10 HDEE CCCCCC(=O)NC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 583292809 DZNYZQOEZXCSPX-UHFFFAOYSA-N 420.535 1.524 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 610596473 DVLVKPNUZRSYKE-GCJKJVERSA-N 424.505 1.106 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 670208303 UUYYCKYVPAUVQL-CQSZACIVSA-N 410.438 1.771 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 729335357 MINMXXKJJKTZJU-WCQYABFASA-N 400.840 1.664 30 10 HDEE CSc1cc2c(cc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)OCCO2 732430179 FHNFOKKBVOSUJQ-MSUUIHNZSA-N 404.448 1.828 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732650824 IEOWYEVZQMNSFY-GFCCVEGCSA-N 412.309 1.665 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1 732651037 RDBMTDXGXIDBPV-QFBILLFUSA-N 412.490 1.507 30 10 HDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(C#N)cc1 740212052 GKYODADJJUDVCJ-KRWDZBQOSA-N 403.416 1.079 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1 750046241 VFKAHCZMCQWSBG-IBGZPJMESA-N 411.487 1.373 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)c1 750432700 LOJHWGGMJYQCNV-LJQANCHMSA-N 410.451 1.988 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(C#N)cn2C)cc1 751727934 BNADSZZGMSJHJS-UHFFFAOYSA-N 418.475 1.723 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC1CCN(c2ccncn2)CC1 752582351 IVXVYDIMMVWEGK-CQSZACIVSA-N 415.475 1.227 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H](c2cccc(F)c2)N2CCOCC2)cc1 755580303 AQPADFDNJWPMPO-IBGZPJMESA-N 417.462 1.717 30 10 HDEE CN1/C(=C/C(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)C(C)(C)c2ccccc21 769838481 JWZDWRLZEFYRHM-VCHYOVAHSA-N 415.471 1.766 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@]2(C#N)CCSC2)C1=O 771404057 WJOCGDHRSJBQHG-MOPGFXCFSA-N 402.476 1.286 30 10 HDEE C#CCN(C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@H]1CCS(=O)(=O)C1 774035206 LIJLMQKXBICFAP-AWEZNQCLSA-N 409.895 1.886 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCc3ccccn3)c2=O)c(C)n1 781660097 CUKLTZWQSSGYRZ-UHFFFAOYSA-N 417.494 1.595 30 10 HDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956109 DNNLYZASGUBTFD-UHFFFAOYSA-N 422.535 1.908 30 10 HDEE N#C[C@H](C(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)NCc1ccc(F)cc1F 786564441 RKTPJNZKBYGZQA-CQSZACIVSA-N 412.352 1.406 30 10 HDEE COC(=O)c1cnccc1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 800230856 AVJDPECSPFSVRM-UHFFFAOYSA-N 405.370 1.721 30 10 HDEE CCc1oc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1C(=O)OC 800846442 MJYYAQRAYDXOBQ-UHFFFAOYSA-N 419.462 1.927 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 802553578 DFQOFVLHYKMYLV-MRXNPFEDSA-N 424.527 1.428 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 803195289 FBUIKRJNDVOPOK-SJORKVTESA-N 416.478 1.315 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC[S@](=O)CC 805606089 SRKCZDBGIMNPGS-XMMPIXPASA-N 419.316 1.988 30 10 HDEE C[C@H]1C[C@@H](C(=O)NS(=O)(=O)c2cncc(C#N)c2)CCN1C(=O)OC(C)(C)C 813984101 ODMRNEPOOUHZND-JSGCOSHPSA-N 408.480 1.794 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(CC(=O)NCc3ccc(C#N)cc3)CCO2)C1 814663529 KLJZCYVPUDCJFH-UHFFFAOYSA-N 400.479 1.496 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 880569512 GBFALZNMZMYPDV-DAXSKMNVSA-N 411.487 1.687 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 917243542 ZRCQXZKQHHVGQC-KUHUBIRLSA-N 406.483 1.569 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1131717948 MGOMVRTZNQUFIK-INIZCTEOSA-N 422.503 1.028 30 10 HDEE C#Cc1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1134903983 FWZPXMYKFMATGB-UHFFFAOYSA-N 400.456 1.950 30 10 HDEE Cn1cc(CNC(=O)Cc2nc(C3CCOCC3)n[nH]2)c(-c2ccc(C#N)cc2)n1 1138163881 VSGDHWAEEWMGIF-UHFFFAOYSA-N 405.462 1.830 30 10 HDEE CC(C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCO 1139145825 QVPYUIUYXHIXOY-OAQYLSRUSA-N 422.481 1.777 30 10 HDEE CN(C)[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COc2ccccc2C1 1139811094 DDMBEPAAWSVZRB-HYBUGGRVSA-N 418.497 1.711 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN(CCCF)CC3)C2=O)cc1 1142963382 HLZXWNAGKMOMSY-QGZVFWFLSA-N 401.442 1.267 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cc(C#N)ccc2F)c1 1144417588 CRVATDLWELAHEJ-LLVKDONJSA-N 404.423 1.362 30 10 HDEE C=CC1(CC(=O)N2CCC(O)(CN3CCOCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1152143526 CXWWLFADYHEZKF-UHFFFAOYSA-N 423.554 1.485 30 10 HDEE C#CCC1(O)CCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 1153262199 JRJIPIOYDPFKKG-UHFFFAOYSA-N 418.559 1.747 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)nc1 1167477037 CJDOUSSJLHXOQD-IBGZPJMESA-N 420.473 1.850 30 10 HDEE C#C[C@H]1CCCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1180235907 ZTXRYOZOSFWOHI-KRWDZBQOSA-N 405.520 1.461 30 10 HDEE C=CC[C@@H]1CCN1[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1198489610 CKIFJFAITAHXMG-SJLPKXTDSA-N 407.536 1.993 30 10 HDEE C#CC[C@H](CCOC)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1206992420 USBQXFGPBCEBJA-QGZVFWFLSA-N 407.536 1.816 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CC1 1221868606 RVVCKTIQXZFOKE-FQEVSTJZSA-N 414.550 1.997 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC#C[C@H]3CCCCO3)CC2=O)C1 1256125044 OTWGMVVVBQNJPR-NVXWUHKLSA-N 420.510 1.078 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1286291130 BPRPGHCNMPGHKB-DGCLKSJQSA-N 403.284 1.893 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1286387678 UAQJMEIQSHLWBJ-KRWDZBQOSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1286389855 RUHWBCMDCUKBIC-SFHVURJKSA-N 400.504 1.323 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286393293 JQZKEDDZPKTJTP-QZTJIDSGSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCCOC 1286430665 IQEKRDBLRMIVDN-IBGZPJMESA-N 409.490 1.713 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(-n2cncn2)c1 1286465848 SLXGUXMYBRFHTG-LJQANCHMSA-N 421.505 1.887 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286504667 VBTZRQMPLYJJRA-MRXNPFEDSA-N 411.535 1.693 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1 1286781338 QRITZBHMAWVPQV-SLTAFYQDSA-N 412.560 1.205 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](COC)C1 1286792150 NVXOMIUJBNSREC-OAHLLOKOSA-N 403.458 1.771 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@@H]2C)C1 1286803668 FTQBZCOLVDSYNC-FUHWJXTLSA-N 401.515 1.181 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1286817552 NRAVSYSXSLPGNU-OAHLLOKOSA-N 409.487 1.769 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1286969053 DABUVZKVPCRUMC-QGZVFWFLSA-N 423.521 1.703 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1290560904 UZQGHMPOYWIXER-UHFFFAOYSA-N 418.496 1.404 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CC1 1291689055 KQADKUZPZSDZTG-MLZLACJZSA-N 401.551 1.500 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](CC(N)=O)C3)C2)C1 1294431135 DQINTFSKUIBVPD-KHQOZGCUSA-N 404.511 1.887 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1297799741 PVOKCRGCBIAKLO-CQSZACIVSA-N 402.463 1.809 30 10 HDEE Cc1nc(SCC(=O)NCCS(=O)(=O)C2CCOCC2)c(C#N)c(C)c1C 1298151119 AAMVQDMHSSHSQQ-UHFFFAOYSA-N 411.549 1.681 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC2CCOCC2)cn1 1298810993 KFONFQFVARRIAJ-LJQANCHMSA-N 403.462 1.706 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1300271286 HFBHMJUMOMONPP-LSDHHAIUSA-N 421.523 1.434 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@@H]1CCOC1 1300455526 LXJDBFJRSWGYCI-MRXNPFEDSA-N 422.489 1.457 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1300547921 DQNWPENAYOKWGR-INIZCTEOSA-N 416.478 1.504 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2c(C)nn(C)c2C)CC1 1300712434 SECUUHRNPGIJTN-UHFFFAOYSA-N 411.554 1.940 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1300762430 PIBOWBUMKPJCNH-IBGZPJMESA-N 419.595 1.697 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300775936 CWWKOWOMWODKHD-UHFFFAOYSA-N 411.535 1.774 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1300809369 ZEIBGIZYMUEMME-JOCHJYFZSA-N 401.474 1.798 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300928681 LNKVUAGCRJTRFS-HZPDHXFCSA-N 410.588 1.775 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1301273132 OFKZXWFUEXJZCV-CQSZACIVSA-N 421.523 1.720 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1304910434 IJBNATWQVJCYIO-FUHWJXTLSA-N 424.505 1.822 30 10 HDEE CC(C)[C@@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1305222590 HIIJTBYQASYUNP-QRFRQXIXSA-N 418.563 1.946 30 10 HDEE CS(=O)(=O)c1nnc(CN2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)s1 1307735022 BGFZCBVCCHUFRH-AWEZNQCLSA-N 411.940 1.977 30 10 HDEE CN1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@@H]1CO 1307988955 ULYJUAZTXMJHRR-GOSISDBHSA-N 407.518 1.775 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)C1 1310318351 DSTGSWCGZFLILC-QGZVFWFLSA-N 420.535 1.699 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 1313042462 GVFCEDPEPMZOER-IBGZPJMESA-N 423.510 1.660 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2nc(O)c3c(n2)CCOC3)CC1 1313188092 KNTTWQOTCHUZCI-UHFFFAOYSA-N 400.464 1.220 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1314939328 LNVOOWKUWMEDEF-QFIPXVFZSA-N 421.505 1.305 30 10 HDEE Cc1nc(CN2CCC(CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)oc1C 1323376398 GJHZACLZPMVQDH-QZQOTICOSA-N 415.494 1.536 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1337721438 OAZHVQMSDWVSDG-INIZCTEOSA-N 423.535 1.191 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC(N)=O 1358922947 XMMZYBBRYHZACY-AWEZNQCLSA-N 403.508 1.462 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1358933753 DDWBDPQUHIRRMD-INIZCTEOSA-N 414.535 1.204 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358957490 VFLOJOURUAFSMW-MSOLQXFVSA-N 417.535 1.643 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1358961558 BFRVBIFXPKMUKW-KRWDZBQOSA-N 414.535 1.292 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)COCC2 1359018427 PAGFKHZTCAUTHN-UHFFFAOYSA-N 411.506 1.623 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1359038687 FYYBBEIAYFOVAU-UHFFFAOYSA-N 421.505 1.010 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359126800 ZJAXTXVEVQWNQI-QGZVFWFLSA-N 413.526 1.834 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCS2(=O)=O)CC1 1359158557 XQOKXWVGPVCRBP-UHFFFAOYSA-N 424.571 1.388 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)n2)CC1 1359173281 AYRHAFWJIBWIHV-AWEZNQCLSA-N 422.559 1.052 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359288217 MAYPOWZAQNEEIW-XLIONFOSSA-N 409.538 1.439 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359291326 MCIPWOWPKDNAHM-HOTGVXAUSA-N 406.531 1.818 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)Nc1ccccc1-n1cnc(C#N)n1 1436596402 FVHJUXJIDBDVSX-UHFFFAOYSA-N 410.459 1.950 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 1439130099 HENMOLHVFQFGAX-GWCFXTLKSA-N 405.398 1.341 30 10 HDEE COc1cc(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)ccc1C#N 1439147662 PFNAGGBHJUNNRM-UHFFFAOYSA-N 412.450 1.880 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)ccc1F 1439743125 OMUJFGMEJSWPSL-ZBFHGGJFSA-N 412.483 1.558 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1439792945 AVRIUJXSGCUALQ-MKVSYHDVSA-N 409.305 1.949 30 10 HDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n1 1453157755 GTESSZDKWIFBMD-DGCLKSJQSA-N 400.414 1.696 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1454679499 PIGIVGOGZVKWKQ-NRFANRHFSA-N 413.499 1.474 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)ccc1F 1454874034 CUWAVKBDVBAIEO-UHFFFAOYSA-N 420.441 1.707 30 10 HDEE C#CCN1CCN(C(=O)Cn2cnc3c(cnn3-c3cccc(Cl)c3)c2=O)CC1 1458983595 XBELTOCKUFXLHP-UHFFFAOYSA-N 410.865 1.013 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(Cc3ccncc3C#N)CC2)c([N+](=O)[O-])c1 1459714194 DLSDTZBPGLIPQT-UHFFFAOYSA-N 401.448 1.587 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2c(Cl)cccc2-n2ccnc2)C1=O 1460342878 HPGOZJNZZVLFKR-UHFFFAOYSA-N 401.810 1.119 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NC(=O)OC(C)(C)C)nn2C)n1 1467714549 BVZABMZYQKVNBI-UHFFFAOYSA-N 416.482 1.886 30 10 HDEE CC[C@@H](C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1468085747 BFIDAZKIXKUONX-QGZVFWFLSA-N 418.563 1.902 30 10 HDEE CCON(C)C(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1469800584 USKNVOWCGLLLEH-GOSISDBHSA-N 416.478 1.919 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCC[C@H]1C#N 1471051520 SLBVRGGVEKKHQK-SMDDNHRTSA-N 400.298 1.878 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2nc(O)c3c(n2)CCOC3)CCN1Cc1ccccc1 1471147528 CVDLHCZQBSFUMG-INIZCTEOSA-N 408.462 1.174 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)s1 1472227818 PJZYYDUDHKAYMS-YGRLFVJLSA-N 412.455 1.839 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CS(=O)(=O)CC(C)C)c(=O)c1C#N 1472554350 HWLIVSRHIMJPAT-UHFFFAOYSA-N 404.286 1.240 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1473347691 MPFOPWCFCCQVBV-DOTOQJQBSA-N 417.453 1.254 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)nn1 1478855563 QYHNKNKXAZWWBO-QGZVFWFLSA-N 404.496 1.580 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1502357983 HAWBBLZASGPHNG-HXUWFJFHSA-N 415.586 1.940 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCC1 1507652841 JNIMPOZRISSPSZ-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCNS(C)(=O)=O 1507702465 IVYGRGRYWFYPGW-QGZVFWFLSA-N 421.498 1.458 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1507731813 PQGSGOCPABRGAX-LJQANCHMSA-N 400.571 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1507771581 CJLMCLWGNCTLBA-DBXWQHBBSA-N 419.595 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1507792201 XKCDHTMDXPEFJF-BZSNNMDCSA-N 418.542 1.502 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507981308 HPUAZDUFXUKDBU-MOPGFXCFSA-N 410.522 1.925 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508063081 XGGAMJKDYPEFRY-UHFFFAOYSA-N 410.522 1.938 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1509522394 LLUHCRHTLANKKM-KRWDZBQOSA-N 424.509 1.104 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1516179093 ATYXOLUZTSMNSI-VQTJNVASSA-N 422.505 1.534 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1519162973 IPHOERPSNWMWRG-UZLBHIALSA-N 413.482 1.440 30 10 HDEE C=CCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)nn1 1521359834 YUFXJMCMOLYBEP-OCCSQVGLSA-N 401.389 1.152 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1521475764 IORXMKFHFRZWFI-GOSISDBHSA-N 413.522 1.032 30 10 HDEE C#C[C@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccccc1 1530143375 PWPBTXDEOPQGNM-LLGFUMIMSA-N 418.515 1.759 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCOCC1 1538243575 FZQGGZXQCBEUDX-LJQANCHMSA-N 404.532 1.917 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539072215 NHRCMXVWKOFTBL-KRWDZBQOSA-N 423.583 1.884 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539075675 DOXHKDXYPRCZSM-LJQANCHMSA-N 411.531 1.694 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1539259862 JEVMWRLFZKVUEK-CQSZACIVSA-N 405.355 1.907 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CN(CC(C)C)CCO2)s1 1539278066 MSWVWADMFHAQHS-OAHLLOKOSA-N 415.581 1.228 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)N(C)CC)CC1 1539459543 JEEBFUCTLKLOGY-UHFFFAOYSA-N 410.522 1.399 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2C2OCCO2)CC1 1539468829 JDOYOSXGVOQMKO-UHFFFAOYSA-N 409.490 1.646 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C)n(C)c2=O)CC1 1539477447 MYQFHKVQWNOAGM-UHFFFAOYSA-N 422.533 1.567 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(C)CCOCC2)CC1 1539477780 YJRQUTWKNDSZFO-UHFFFAOYSA-N 423.521 1.518 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CCOC)CC1 1539520157 OPLBDFMOLUUWPB-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE Cn1ccnc1C(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1nccn1C 1539571955 NNSINXJOKQPYCO-AWEZNQCLSA-N 415.498 1.946 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539751702 SHIJIKWBBFTGIO-CVEARBPZSA-N 400.545 1.634 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1539752088 BKJYIQISNJDIQT-UHFFFAOYSA-N 404.540 1.928 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1539823480 DJHWWZHAYUYJDA-HOCLYGCPSA-N 413.906 1.050 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540069759 XBZKIGQESUJWTM-WBVHZDCISA-N 411.510 1.520 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540897252 FHBGGZJYCANSGO-MRXNPFEDSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1540898510 MOBXKVVGCGMLOW-QGZVFWFLSA-N 417.491 1.283 30 10 HDEE CC(C)(C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541163213 AALVUBVTJREHMK-MSUUIHNZSA-N 414.510 1.719 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)C1 1541988613 WKAXSYDEDZVQOJ-UTKZUKDTSA-N 416.526 1.840 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@](C)(C#N)CN(C)C 1544117493 VNTCYOMGOLPFPA-WBMJQRKESA-N 416.341 1.819 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)N2CCC(C#N)(C(=O)OC)CC2)cs1)C(N)=O 1544636606 PBGASSGQCWSTGW-GFCCVEGCSA-N 410.521 1.347 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1546254500 MWLVWJGXJZJHLB-ZZEZOPTASA-N 400.435 1.225 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1548315864 AZTADNGLUFKZDN-ZDUSSCGKSA-N 410.887 1.157 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C[C@H]1O 1554545906 VXDNHUQRODTQCM-QZTJIDSGSA-N 413.478 1.340 30 10 HDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1=O 1555597052 GUHUEXQBDDMJDO-CRAIPNDOSA-N 410.478 1.605 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@](C)(C(=O)OCC)C2)CCCN1C(=O)OC(C)(C)C 1558003726 MDIBVELISVFKTP-SFTDATJTSA-N 408.495 1.960 30 10 HDEE CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 1558670309 YICFZRMAKZELKI-GJZGRUSLSA-N 417.491 1.808 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N(C)S(=O)(=O)CCNS(=O)(=O)c1ccccc1 1561678216 AQUZWAIRZPDAKY-HNNXBMFYSA-N 407.517 1.859 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)N3CCC(C(=O)NCCCN4CCOCC4)CC3)c12 1586690546 RYQWOSIPVOCEKW-UHFFFAOYSA-N 423.517 1.730 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1587898254 MFNUZPWGLDRTSW-FOIQADDNSA-N 400.483 1.358 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCC[C@H]1C 1588088863 BFWBZAXAUXWDMO-QIJUGHKUSA-N 400.523 1.943 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C(F)(F)F)cc2)CC1 1588199730 XDIWAKGPDVNDIC-ZDUSSCGKSA-N 419.425 1.085 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)NC 1588604928 SIALSNKSLITHAQ-UHFFFAOYSA-N 405.886 1.829 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588741637 GHGQKSDSYPDYOS-ROUUACIJSA-N 424.540 1.903 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCn1cncn1 1595243944 LMHSCSQGJSVDCR-UHFFFAOYSA-N 410.482 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N(C)[C@H]1CCCc2c1cnn2C 1595831163 MKOYWOMZYBHZON-INIZCTEOSA-N 422.555 1.663 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1596821777 FQLRHTOPTLQURB-WBVHZDCISA-N 409.494 1.484 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)C(C)C)CCOC1 1610334865 FPZNVUWIWPHNIF-UZLBHIALSA-N 406.531 1.829 30 10 HDEE CCCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1614856333 GDEXGXNVAPSNOU-ZWKOTPCHSA-N 415.542 1.507 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1615843092 KAWCZVGKOVCWQV-QRVBRYPASA-N 403.575 1.936 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCOC1 1617729877 YFBILCJBMHMJRH-KRWDZBQOSA-N 410.478 1.324 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1619539210 HILRJBSOPGYVQQ-NJNPRVFISA-N 424.505 1.570 30 10 HDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619846773 AVKZWTZYDMPMEW-ROUUACIJSA-N 410.478 1.715 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCCN2CCC(O)CC2)CCO1 1620356734 HMJSBTCFEJGFOX-IBGZPJMESA-N 402.543 1.586 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)c1 1621669055 JTKDEPAZQOCVSO-LSDHHAIUSA-N 404.410 1.978 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)OC 1622450449 RMDSOFRSBIFHBU-INIZCTEOSA-N 408.476 1.490 30 10 HDEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)n1cnc2c(N)ncnc21 1623494392 HXOITHVNEDHFRM-CZUORRHYSA-N 408.441 1.518 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)CNc1ccc(C#N)cn1 1625711234 WGRWHJCBVNWASW-UHFFFAOYSA-N 402.476 1.696 30 10 HDEE CN(C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1)S(C)(=O)=O 1626965142 HHXHBXFVMYPMSR-UHFFFAOYSA-N 414.325 1.746 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)S(=O)(=O)[C@H](CC)C2)s1 1627096399 IQUZCVIZTFAQDO-TZMCWYRMSA-N 420.578 1.179 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628154445 LJNLDKYMIAVALZ-CJNGLKHVSA-N 409.508 1.804 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1633366151 XWMVPFCQFRNHRT-KRWDZBQOSA-N 410.467 1.335 30 10 HDEE C[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)NCCF 1633922379 FANHWEAQWXLXIJ-SUMWQHHRSA-N 418.469 1.983 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 1634099721 JNAPLAWGSDHVSC-MRXNPFEDSA-N 411.414 1.246 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(NCc3nc(C)cs3)c2)CC1 1635992990 DTAFUGKWNKBUHV-UHFFFAOYSA-N 411.531 1.571 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)(F)Cl)cc2)CC1 1636479785 GZAMDEUMYDPEOB-UHFFFAOYSA-N 407.826 1.080 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)c1 1637799712 ZCAXSZABMVUHRR-OAHLLOKOSA-N 401.492 1.292 30 10 HDEE C#CCN(C)CCCNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1637963382 ULHWSLVOSOUARB-MRXNPFEDSA-N 404.515 1.535 30 10 HDEE C=CC1(CC(=O)N[C@@H](C)c2nc(C(=O)OCC)n[nH]2)CN(C(=O)OC(C)(C)C)C1 1640229533 GLMATYWKZGMNPL-LBPRGKRZSA-N 407.471 1.972 30 10 HDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(CCC#N)CC1 1642915797 KJWXWSGJCAZWDN-ZDUSSCGKSA-N 409.468 1.097 30 10 HDEE COC(=O)[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1c1ccc(O)cc1 1643186683 KRNQMNPOXWFZOF-LEWJYISDSA-N 418.449 1.880 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 1643299128 CVTKJPIQZMSNGZ-OWCLPIDISA-N 408.499 1.470 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1 1643888821 QBQLDHLWMOTFSK-INIZCTEOSA-N 402.451 1.696 30 10 HDEE C[C@@H]1C(=O)N(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C(=O)N1C 1645982023 UDCWTTGNJXRTSP-SECBINFHSA-N 406.240 1.071 30 10 HDEE CS(=O)(=O)[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(F)(F)F 1647746865 VQVXAXFKSYYFPU-ZIAGYGMSSA-N 410.439 1.239 30 10 HDEE C[C@H](CC(=O)Nc1cn(-c2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 1649039005 CGHWTGIKVBSVLQ-CYBMUJFWSA-N 410.459 1.723 30 10 HDEE N#Cc1cccc(CNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)c1 1651711127 DCIVIPNDMDMDFN-AWEZNQCLSA-N 406.489 1.327 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1653186849 YYJYCTDHLCPPNB-KGLIPLIRSA-N 403.464 1.234 30 10 HDEE C#CCNC(=O)C1CCN(C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1653407628 VBLZHISQPVHVGK-PGRDOPGGSA-N 405.539 1.864 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCC#C[C@H]2CCCCO2)C1 1653545208 XXYVRTCWJOJBSE-CVEARBPZSA-N 414.524 1.099 30 10 HDEE C[C@H](NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cc2ccccc2o1 1654885483 NPMORYRCCZXSLT-IDLUEMFASA-N 401.488 1.869 30 10 HDEE CCOc1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)nn1 1656124343 FYPSRTPFMUIRJA-UHFFFAOYSA-N 403.464 1.266 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2occc2Br)n1 1663144268 CBLZLWCVSAQGAB-UHFFFAOYSA-N 402.270 1.709 30 10 HDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1)C1CSC1 1668775970 BHNYYABSZXGPAA-UHFFFAOYSA-N 422.576 1.595 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cnn(C)c1Br)C(=O)OCC 1670887077 RNZIHJXEEUDZCR-MRVPVSSYSA-N 400.682 1.535 30 10 HDEE C#CCN1CCC(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 1676154152 QVPOQGMVSBCKTA-UHFFFAOYSA-N 407.559 1.326 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1680014293 RSBNLPPYSNFXRT-UHFFFAOYSA-N 416.507 1.182 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1682774241 CGRMJYRYKKTSIE-UHFFFAOYSA-N 412.468 1.203 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCCN2CC(F)(F)F)n1 1683953666 IXGFBOOMZXXFLF-MRXNPFEDSA-N 401.433 1.701 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@H]2CCCS2(=O)=O)CC1 1684996065 ZDRQAZSTHXTXFU-CQSZACIVSA-N 407.496 1.223 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)C1 1685240948 SAQXJSFFBMCMAH-UHFFFAOYSA-N 407.492 1.153 30 10 HDEE C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1685877469 SGPBGWQDEQQYEO-WQJJYIMCSA-N 400.479 1.152 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1687155915 ZZLOTJGORSLWKC-UHFFFAOYSA-N 420.517 1.946 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1689936725 AWKSPUPSVBRPAZ-QGZVFWFLSA-N 411.510 1.964 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1689946055 MHAOEVCRRVBWRH-CQSZACIVSA-N 419.507 1.167 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(OC)c1OC 1690011743 BISGJFCVPMEYMN-UHFFFAOYSA-N 418.457 1.882 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690017499 FRLMETHJPVXKSG-RTBURBONSA-N 423.492 1.728 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1690073995 OHMKRWXCLNQVJD-UHFFFAOYSA-N 409.494 1.632 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C 1690096012 KYVYYCCWKXMZJB-MRXNPFEDSA-N 419.551 1.385 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@]2(O)CCSC2)n1 1690109539 VPTRPOJOMUEAAA-FQEVSTJZSA-N 416.551 1.506 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1690313354 QWTAKWNZYFYVEG-OAHLLOKOSA-N 409.512 1.706 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690509981 OYVQYPJYUBBDPU-NRFANRHFSA-N 412.494 1.888 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690665886 SKJSTCTWMAPRIM-NRFANRHFSA-N 410.478 1.115 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690724346 MXJUHCSPAAMTAN-JQHSSLGASA-N 424.567 1.777 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1690819706 LYJCNBHAXSVFTF-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC(=O)N1C 1693784473 KSHXJAJXUJRKMN-CRAIPNDOSA-N 410.478 1.289 30 10 HDEE CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1696475700 AQNPKOXDEKNULN-UHFFFAOYSA-N 419.511 1.085 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1697971475 FMDZHWAZKGYBON-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COCCN(c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CC[C@H](C)C1 1698035220 BUKDMVYKOVHJQH-ZWEUNIGQSA-N 402.499 1.754 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)CCO1 1698492471 GPCMVTJAWCGDQD-OAHLLOKOSA-N 417.441 1.266 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705532957 STTPRALJVOZHCY-INIZCTEOSA-N 407.474 1.928 30 10 HDEE C#CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1705538871 BXPVSUWTLVLPNK-OAQYLSRUSA-N 411.510 1.460 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1705552022 UPJDZPJNAZIYMX-KRWDZBQOSA-N 407.434 1.013 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCOC1 1705600345 VYQQXABVTUBEOD-JOCHJYFZSA-N 404.474 1.131 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1705604414 LUZYEPZJLQDKGT-CYBMUJFWSA-N 408.528 1.682 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705754862 HETVPCZSDFHGEH-CVEARBPZSA-N 410.950 1.571 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1705840824 DBPFDQBQQMBFST-UHFFFAOYSA-N 409.494 1.683 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1)C1CC1 1705853188 SBRLLXVCARNJPM-HKUYNNGSSA-N 415.586 1.658 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705925466 PQHDOBYIWHOXLN-FUHWJXTLSA-N 423.583 1.999 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccnn2C)C2CC2)n1Cc1ccc(C#N)o1 1706590944 YSLNOWUYOKDBSH-UHFFFAOYSA-N 408.466 1.832 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1710447563 JAYYOJGIEDFFSY-XOBRGWDASA-N 415.450 1.442 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1710905278 DVVYOSKEBVTWRJ-ACSYHNTCSA-N 415.519 1.581 30 10 HDEE C=CCOCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](C(F)(F)F)C1 1719960241 JEQDXXAIGPNIFS-HKXJQTKSSA-N 416.440 1.898 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722344670 RRRZYYNYFSLYOW-IPJJNNNSSA-N 419.570 1.887 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1722386643 FVHPEPNLDYVIDB-SFHVURJKSA-N 414.535 1.037 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCc1cnn(C)n1 1722423659 LJGQNFICLQNEPF-UHFFFAOYSA-N 414.901 1.841 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722620432 NADRYXAFRXNFQT-QGZVFWFLSA-N 421.542 1.783 30 10 HDEE C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691291 RFZYADQPIHRDAA-NQIIRXRSSA-N 405.543 1.663 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OCC)CC1 1722694016 IQPIBQUIIOTMET-UHFFFAOYSA-N 423.477 1.397 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722699213 DMBUKJDSZZMXDD-CQSZACIVSA-N 402.465 1.852 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722707891 BZDNEHBBGMSKQU-QGZVFWFLSA-N 412.494 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)nc2)C1 1722718787 MYDVXTOJQNJDKX-MSOLQXFVSA-N 417.535 1.713 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@H](CC)C1 1722727101 IGNHDWTWDANNNH-CQSZACIVSA-N 408.553 1.668 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1728805211 OPRCWBARVMEVKB-QHAWAJNXSA-N 416.526 1.539 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccco1 1730946621 QDETYSGXILDFIC-JKTDJZPLSA-N 419.457 1.945 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(N4CCNC4=O)CC3)n2CCCCCO)cc1 1731180913 JFEWVNAMLBZXED-UHFFFAOYSA-N 423.521 1.973 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)C 1740558841 VOGMQUBQOYEVBQ-CQSZACIVSA-N 402.524 1.642 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740625845 ILGANBQZJQUTHG-BBWFWOEESA-N 424.592 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1CCOCC1 1740641972 RJHHXVDGTJQMQM-UHFFFAOYSA-N 407.518 1.673 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCOC1 1740689009 XWMXBGQWXCNVMO-HXUWFJFHSA-N 404.442 1.234 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(F)CCC2)CC1 1740693008 SFFYWZVUSGPTMI-NRFANRHFSA-N 405.518 1.968 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCOC2)CC1 1740706332 SEFFTVFKYGMSJY-IEBWSBKVSA-N 415.538 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1740758516 YKZNCZIQQGJFPW-NUJGCVRESA-N 417.510 1.600 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740864097 JNBNNYHOZZXMEP-RBUKOAKNSA-N 416.570 1.881 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CCO1 1741106454 ABQYLZGWNQJORH-MSOLQXFVSA-N 414.466 1.374 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H](C)O1 1744988005 BKIZJJHRIGCDDJ-PBHICJAKSA-N 418.523 1.370 30 10 HDEE CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1745686391 HEBYYGMBUINYEA-QZTJIDSGSA-N 420.583 1.652 30 10 HDEE CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1746405371 HYRHORROVBORDS-FOIQADDNSA-N 412.473 1.852 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1746683683 KMQKMNZRQGHHEN-SFTDATJTSA-N 416.526 1.539 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1748788519 QPZTWZMIACEPQE-IBGZPJMESA-N 422.533 1.590 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748817621 NFBIGTZEKACWKN-GUDVDZBRSA-N 421.611 1.835 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)N(C)C)CC1 1748999671 AZHKMTZYFWNVNU-UHFFFAOYSA-N 412.563 1.722 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC 1749056769 SMLGIIMRRUIGGX-HXUWFJFHSA-N 417.535 1.834 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CCCO2)CC1 1749245199 BQKRZBCJXZVQIR-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749650218 NVXPSZXFLXZJRR-INIZCTEOSA-N 417.558 1.029 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749709831 SJLMWFPOXAHHDJ-OWCLPIDISA-N 418.498 1.289 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C(N)=O)C1 1749736476 JVPILZXGMJFDNL-QGZVFWFLSA-N 417.535 1.090 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1749756140 SXFUUUALKUUYMG-QGZVFWFLSA-N 422.599 1.349 30 10 HDEE CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)cn1 1749901837 GCENQBYYZQJJFY-CQSZACIVSA-N 410.482 1.541 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccn(C)n1 1750138836 DHTCNERBPXAUHY-URLQWDBASA-N 403.462 1.420 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)nc2)CCO1 1750387430 YPCDILBMTJKDJB-CQSZACIVSA-N 424.852 1.751 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1751982955 NGMRDJKCEWCVIV-INIZCTEOSA-N 411.510 1.062 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760171702 HBLGGJKMEJQNNU-BZSNNMDCSA-N 415.517 1.935 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760195910 LPMOAFDHEVAEPC-IBGZPJMESA-N 418.906 1.221 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1760205815 KMEJOWONIAJLMG-LJQANCHMSA-N 419.510 1.850 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)Br 1760253040 LSOKOMFDMGGQDS-GJZGRUSLSA-N 413.316 1.997 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1760490069 OZZUTASCZBWGBW-MOPGFXCFSA-N 416.570 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(CC(N)=O)CC1 1760518297 PCRDYNADEOILCN-UHFFFAOYSA-N 412.494 1.348 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760520275 IOWFMZZPJZZQNS-OCCSQVGLSA-N 412.416 1.742 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCO[C@H]2CCOC2)C1 1760544941 KIKAVYLIOWKFDU-ROUUACIJSA-N 402.499 1.656 30 10 HDEE CC(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761111589 DVNVHVUCDKKLSQ-LSDHHAIUSA-N 409.498 1.262 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1761546091 NGRCBOQLBXHJBX-VFNWGFHPSA-N 413.526 1.445 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1767522369 ZCTHBMLJOOPJQR-OAHLLOKOSA-N 402.405 1.519 30 10 HDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1770600737 CLMXUIOQUBMDOU-UHFFFAOYSA-N 408.553 1.555 30 10 HDEE COC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770934859 ZDZUXAAZJNECTE-NFSBEEMKSA-N 416.482 1.129 30 10 HDEE COc1cc(C(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)ccc1OC(F)F 1772792887 QBYMKNORAZFICK-UHFFFAOYSA-N 420.324 1.781 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1C#N 1849902260 UXXWZCOXSGBQKH-UHFFFAOYSA-N 402.454 1.921 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Br)n1 1851241862 TTYNUHAJMFLTBJ-JTQLQIEISA-N 413.297 1.858 30 10 HDEE N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccccc2)c1NC(=O)C1CC2(CC2)C1 1851706853 XNMAZWJLJFHGMU-UHFFFAOYSA-N 401.430 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852235852 WNCDOBHRDKRANH-KRWDZBQOSA-N 415.494 1.628 30 10 HDEE N#Cc1ccc([C@@H](CC(=O)N2CCS(=O)(=O)CC2)N2Cc3ccccc3C2=O)cc1 1852870564 BXYCABLXEASZMB-HXUWFJFHSA-N 423.494 1.902 30 10 HDEE O=C1CC[C@H](C(=O)N2CSC[C@@H]2C(=O)OCC#Cc2ccc(Cl)cc2F)N1 1852892266 XGGYDNBQGFOQCW-HUUCEWRRSA-N 410.854 1.554 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1852983417 HCTCRASOMXMQFI-QGZVFWFLSA-N 406.508 1.385 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853958772 GAQPHZMYITXRTC-UHFFFAOYSA-N 418.862 1.588 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)cc1 1854305396 DPHAFNSHPFJMNG-GOSISDBHSA-N 405.520 1.774 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1854313891 YKUPVZRBMQNJGZ-CRAIPNDOSA-N 423.510 1.614 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)CC[C@H]3CCCO3)C2=O)C1 1854800035 ZOHLDVAOHWKWKS-APWZRJJASA-N 412.490 1.883 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)C2CC3(CC3)C2)C1=O 1854869774 LXNITVNRHLVPCP-GOSISDBHSA-N 408.506 1.567 30 10 HDEE C=CCC[C@@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1 1855297784 SKSMHGRXGWNVLC-OLZOCXBDSA-N 410.448 1.582 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCN(Cc3ccc(C#N)cc3)[C@H](C)C2=O)c1C 1855642231 FZWLMDIKPOBESQ-MRXNPFEDSA-N 407.474 1.834 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855894278 HSCICJSAISRFAS-MRXNPFEDSA-N 418.519 1.161 30 10 HDEE Cc1nc(C)n(CCC(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)n1 1855943306 ADQFGTKXARZJFI-OAHLLOKOSA-N 410.478 1.295 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3sccc3F)C2)C1 1856410997 VNAMVUSGJVBEHV-LBPRGKRZSA-N 400.435 1.906 30 10 HDEE CCN(CC(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1856932061 DHXKZDDLJKCJBP-UHFFFAOYSA-N 403.382 1.979 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1856939221 POZXFGILVHJRJU-QZTJIDSGSA-N 414.510 1.319 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@H]1CCN(C)C1=O 1857236201 AYMFEXJCMJLEIS-WMZOPIPTSA-N 402.495 1.318 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@H]1CCN(C)C1=O 1857269372 MHVJPESPKLBBRT-JSGCOSHPSA-N 409.437 1.065 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1884296536 DDPIFFVHGUDWSG-MAUKXSAKSA-N 410.499 1.587 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(C#CCN(C)C)CC2)c1 1890888035 RUMTXEIFXRHVBL-NRFANRHFSA-N 417.575 1.952 30 10 HDEE C=C(CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 1991971765 WJWVJFUCFMIVQJ-CABCVRRESA-N 410.320 1.908 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1 2054406252 SYEFIGYCDDQPLK-ROUUACIJSA-N 406.508 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2csc(C(=O)O)c2)[C@H](C#N)C1 2106308237 XMGUDKOWCAKDDN-SNVBAGLBSA-N 401.466 1.580 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 2195281817 FJQPWHSFLJTPNF-ASHKIFAZSA-N 404.529 1.916 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](CS)C(=O)O)[C@@H]2CCCO[C@H]2C1(C)C 2195311574 RHELZUDYPRJCMV-FLMCSSBNSA-N 402.513 1.584 30 10 HDEE CC1(C)OB(c2csc(CN3CCSC[C@H]3S(C)(=O)=O)c2)OC1(C)C 2227145217 BCPNSQSXUGNGGM-CQSZACIVSA-N 403.400 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243403568 ZJFOAMNRCUMQHO-TXEJJXNPSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cc(Br)ccc1C#N 2247173455 SIWDXVZKYAOUSM-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247865655 YLHRDNZOXABDQC-CQSZACIVSA-N 423.319 1.272 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247907971 LMONJTRSNYAXMG-FQEVSTJZSA-N 424.303 1.584 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2258167424 GCAFUQRMOSLBDI-CQSZACIVSA-N 404.404 1.075 30 10 HDEE COC[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316900 JKYLXSCXCNZQDL-OLZOCXBDSA-N 401.359 1.917 30 10 HDEE CO[C@H]1CC(=O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282320008 BWOXFVJQPPYSHU-NSHDSACASA-N 401.315 1.292 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](F)[C@@H]3CCOC3)s2)OC1(C)C 2282328909 FGSPNMBAFGBWRL-NEPJUHHUSA-N 405.322 1.700 30 10 HDEE CC(C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCCN1 2282335465 PVWFRLXVDJRTRG-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCP(C)(=O)CC3)c2)OC1(C)C 2282354784 VTYYAWULUVVBDO-UHFFFAOYSA-N 400.246 1.378 30 10 HDEE C=C(CS(=O)(=O)N[C@@]12CCC[C@H]1CS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282493521 UJUZFJMJXWXYDH-XJKSGUPXSA-N 405.347 1.061 30 10 HDEE COC[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)OC 2282504012 IPVUPTPFGPGIND-CYBMUJFWSA-N 405.347 1.128 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505034 XPVYOTJTWBSODZ-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE CN([C@H]1C[C@@H](O)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828411 NXAPIQVGNJBMSE-BETUJISGSA-N 401.721 1.783 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282831037 DKFJIVWHENYBIL-RUZDIDTESA-N 405.322 1.172 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842133 TWRXFQHOTBEIAS-MRXNPFEDSA-N 421.415 1.581 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@]34COC[C@@H]3C4(F)F)c2)OC1(C)C 2282860360 YXHWWVHTGINNAF-HZMBPMFUSA-N 407.269 1.360 30 10 HDEE CON(C1CCNCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883861 GVZLXORAJRZBAC-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405320 JCHGRHRPNLFBKZ-JQWIXIFHSA-N 403.331 1.825 30 10 HDEE COC(=O)NC[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2286131705 PSZZPKRDKIGYLJ-JTQLQIEISA-N 404.319 1.070 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccco1 2296144684 AWMHTYCXLRUADA-INIZCTEOSA-N 402.359 1.618 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 2296621144 BMEDSSZKFPFCGQ-QGZVFWFLSA-N 416.503 1.842 30 10 HDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2319754076 OFYNXLLTPZDXBL-SECBINFHSA-N 421.126 1.434 30 10 HDEE COc1cccc(C(=O)C=CC(=O)N[C@@H]2C(=O)N3[C@@H](C(=O)O)C(C)(C)S[C@H]23)c1 2320927439 JBKXRXZKNUILHN-HLLBOEOZSA-N 404.444 1.066 30 10 HDEE CN(C)c1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 2322614457 FYXDSAHGFHLMGO-AWEZNQCLSA-N 409.899 1.768 30 10 HDEE CCc1csc(C#C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2338637886 MFXPVHPWDIXKDG-ZFWWWQNUSA-N 400.522 1.356 30 10 HDEE CC1(C)C[C@H]([C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365173388 RTDZSVLNORUPRM-HIFRSBDPSA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211366 NNBOFTZIZBYFPK-LIRRHRJNSA-N 400.541 1.292 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2367793644 WMFHUJNERUINRH-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367810755 ATELNHNPKCUDPM-ZRGWGRIASA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367816951 JMSDTMXXVSWHSU-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE C=C(C)COc1cccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCC(C)C)c1 66063041 BAXVUDHPEJUWMB-LJQANCHMSA-N 417.506 1.970 30 10 HDEE N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cn1 170249055 YJDBZOKKURWLHS-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)cc1 219949189 LNHRDRDUXNFSFB-MRXNPFEDSA-N 414.487 1.753 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CCC=C(CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 252670767 LQQVURUBFJKELJ-XOYVVFADSA-N 422.474 1.605 30 10 HDEE COc1cc(CNC(=O)CS(=O)(=O)c2ccc(C(C)=O)c(F)c2)ccc1C#N 427228239 SXZGDVJANVJJLL-UHFFFAOYSA-N 404.419 1.999 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 443310203 IPGURPIMEQXHGI-UHFFFAOYSA-N 422.482 1.750 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccnc(N(C)C)n2)CC1 460785536 XQLMCNJDKXNKIU-UHFFFAOYSA-N 413.530 1.175 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](CO)Cc3ccc(OC)c(O)c3)cc2C1=O 475519258 GGGPKMRHBMVOLU-OAHLLOKOSA-N 424.453 1.764 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccccc1C(=O)c1ccccc1)C(=O)OC 481563611 OHCQLSRFWXTPAF-KRWDZBQOSA-N 403.456 1.940 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 487461860 BILFCZACFRTFHY-ICSRJNTNSA-N 421.505 1.361 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 489578887 FOPUFJMOHFKYOM-AWEZNQCLSA-N 403.446 1.943 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C(=O)NCc3ccco3)cc2C1=O 490885830 RPALZCRQRHAXOF-GOSISDBHSA-N 407.426 1.983 30 10 HDEE N#C[C@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 499423677 SOCFEQYRADREDY-HNNXBMFYSA-N 423.292 1.894 30 10 HDEE C=CCNC(=O)CN1CCN(c2ncccc2C(=O)N2CCc3ccccc32)CC1 510095649 PPIXOOXCRJZVMJ-UHFFFAOYSA-N 405.502 1.709 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(c3nccc(OC)n3)CC2)cc1 513417748 ZGSANLPDRRQEJL-UHFFFAOYSA-N 424.505 1.953 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(C)c2)c(=O)n1-c1ccc(F)cc1 521498207 BXIGAQDKHMVOFC-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 527509529 RNSAFTRNOBJCJS-UHFFFAOYSA-N 408.524 1.829 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 533120189 PAPBNVRINVAXRY-CQSZACIVSA-N 412.515 1.035 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCOC1 533544943 HQIFKRDIOGFLSC-CYBMUJFWSA-N 400.525 1.880 30 10 HDEE COc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cc1[C@@]1(C)NC(=O)NC1=O 533583305 FHWFTZXNXPAOKS-ADLMAVQZSA-N 406.464 1.063 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 545905812 PZRNUGNWCGELGK-UHFFFAOYSA-N 417.495 1.322 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(Cc4cccs4)CC3)CC2)n1 546210149 PIVNSXZBALBYSE-UHFFFAOYSA-N 410.547 1.481 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 549530508 OUQFHDXIEALTNZ-FUHWJXTLSA-N 421.519 1.176 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 558176276 UCSJOZOKQWGPFI-QGZVFWFLSA-N 420.535 1.925 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)c(O)n1 568888400 NLDBEZPWXSNFFC-UHFFFAOYSA-N 408.458 1.962 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4cccc(O)c43)CC2)cc1 582622122 JLRASTZLADIWJX-SFHVURJKSA-N 411.483 1.827 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(CCOc3ccccc3)CC2)c(F)c1 586862249 PEBWEIMNGIBGLF-UHFFFAOYSA-N 410.449 1.537 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 609311279 CIFLBTJCXWLXLJ-NSHDSACASA-N 401.444 1.482 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670221416 RLXQDFCDUJSPQA-RXVVDRJESA-N 423.565 1.829 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 729332301 MMNIPCBMLBCFBL-GFCCVEGCSA-N 409.407 1.243 30 10 HDEE CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730141181 NTKYODBHBPDBJK-MRXNPFEDSA-N 410.515 1.862 30 10 HDEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861038 GVYCNGSXFWOFHX-RDCVWBNRSA-N 420.491 1.020 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CS(C)(=O)=O)C1=O 733202771 XDBQSBGGIJSLIV-GXFFZTMASA-N 401.485 1.326 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)c1 750430066 IOBQAASRFJNIBP-SFHVURJKSA-N 404.488 1.602 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OC2CCN(c3ccncn3)CC2)cc1 752577585 FCPJBDOYGZBWGK-UHFFFAOYSA-N 400.460 1.214 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc2c(cc1OC(F)F)OCO2 757205924 FJCAYNUHZOZSMV-FOCLMDBBSA-N 424.360 1.342 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)CC1 758428769 CIZMOVJAGBHMFH-UHFFFAOYSA-N 405.520 1.232 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774183984 AAWARPDDXQJUMG-VQTJNVASSA-N 403.548 1.964 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 781006419 MGGKEASPNPUXHN-LJQANCHMSA-N 414.487 1.312 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 783547221 IVLURFFBEHSSKP-CYBMUJFWSA-N 406.551 1.008 30 10 HDEE CCOC(=O)C1=C(C(=O)C2CC2)[C@H](c2c(Br)cnn2C)NC(=S)N1 783805956 CGMBPTJNPCXZHL-SNVBAGLBSA-N 413.297 1.498 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1 789323909 WRRXGAXBMAHAKS-NRFANRHFSA-N 414.481 1.704 30 10 HDEE CCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)cn1 789968544 QSTNQIYEOIVGGU-HNNXBMFYSA-N 400.512 1.914 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)n1 790109265 SHZGTGMUBLSFJJ-INIZCTEOSA-N 404.511 1.994 30 10 HDEE Cc1ccncc1C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 794451909 ICMUVBYYZANNKK-UHFFFAOYSA-N 405.436 1.765 30 10 HDEE Cn1nncc1-c1csc(=NC[C@H]2CCCO2)n1N=Cc1cnn2ccccc12 794838808 LVXDUDPBSQJPAO-OAHLLOKOSA-N 408.491 1.955 30 10 HDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 795182754 GJAWTASNYFVHAZ-VQCVBKSZSA-N 417.579 1.791 30 10 HDEE CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1ccc(Br)c(S(N)(=O)=O)c1 797402341 ZBNIOLHXAHGNLJ-CHWSQXEVSA-N 414.329 1.681 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@](CO)(c2ccccc2)C1)c1cc[nH]n1 801474245 NFBYDKCCRFMOMG-NRFANRHFSA-N 414.462 1.246 30 10 HDEE COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802514591 DNQHQBVIXAKGOI-HNNXBMFYSA-N 415.523 1.093 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C#N)ccn2)c1 803846312 YMWPOVNPHXHYBH-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@@H]3Cc4ccc(Cl)cc4C3)CC2)nc1 804402076 QTMFDRJRQVGLAQ-LJQANCHMSA-N 423.904 1.975 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 805123756 AHPIZSHMEIDXMK-ZIAGYGMSSA-N 415.446 1.895 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1 811501732 UWBXVZBBFKZYKU-NRFANRHFSA-N 413.499 1.389 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC/C=C/CNC(=O)OC(C)(C)C 812471757 DPYJXOXNEDSFTP-NFAHFFEMSA-N 415.498 1.649 30 10 HDEE Cn1c(=O)ccn(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1=O 920807032 WDUWXFJJEZJWBE-SNVBAGLBSA-N 402.382 1.825 30 10 HDEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NC2CCCC2)n1N 1084210102 QESQQMPAOIAEOS-UHFFFAOYSA-N 419.559 1.983 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1OC 1124717166 XELIYJNHBBPGST-UHFFFAOYSA-N 411.462 1.721 30 10 HDEE CC(C)OC(=O)[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1128987808 ATXPMXDNMOHORO-AWEZNQCLSA-N 407.492 1.415 30 10 HDEE CSCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N(C)C 1129405464 HYLAOSWSHRDRLO-BBRMVZONSA-N 422.938 1.891 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 1130753384 GBUZKKAOBJOLTL-IYBDPMFKSA-N 406.446 1.702 30 10 HDEE COc1ccc(NC(=O)c2nc(O)c(C#N)cc2C)c(N2CCN(C(C)=O)CC2)n1 1136497221 BHJUHZIQBPBGMY-UHFFFAOYSA-N 410.434 1.292 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 1137130974 TVULNVDOBBXFTE-UHFFFAOYSA-N 408.520 1.601 30 10 HDEE C#CCN(CC(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)OC(C)(C)C 1138075528 RPKYDACNGAJLRT-FQEVSTJZSA-N 400.435 1.355 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1142444203 OEPBXGXVEONZFQ-KBPBESRZSA-N 422.482 1.520 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CC(=O)OC)C3CCOCC3)n[nH]2)c1C 1148211417 ZZARWDPYKXBOJT-UHFFFAOYSA-N 401.467 1.870 30 10 HDEE C#CCN(CC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1150248048 XOGBRBORCFLQIC-HNNXBMFYSA-N 413.515 1.543 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc2c(s1)COCC2 1157374323 CXEOTPVDTKECFU-GFCCVEGCSA-N 420.516 1.113 30 10 HDEE O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157813842 MDZMJEHBTVUNTL-XVMARJQXSA-N 416.290 1.308 30 10 HDEE COc1cnc([C@H]2CCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1O 1158516112 JYYDUFQRNYLDSD-OAHLLOKOSA-N 416.459 1.341 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)c3ccnn3C)ccc2c1=O 1161505637 JOGHHXZFIBHTBA-HNNXBMFYSA-N 413.459 1.249 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)C#Cc2ccc3c(c2)OCO3)C1 1165820192 GPPSYOUCAGXKPP-OAQYLSRUSA-N 413.430 1.410 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(CC(=O)NC)CCCCC2)cc1 1167646178 WTBJRPFBRAWGKW-UHFFFAOYSA-N 405.520 1.415 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)c1 1178597058 AVTMXRZWUPNACJ-QRQLOZEOSA-N 424.519 1.186 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1179405288 OSDOUPIBKAEBFS-YWZLYKJASA-N 424.482 1.697 30 10 HDEE Cc1nc(C)c(CCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c(O)n1 1183324310 DYEMLDTXKGZOIS-UHFFFAOYSA-N 420.267 1.915 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ccc3nnc(-c4cccc(F)c4)n3n2)CC1 1185282320 RGZWQPYVDRTSPX-UHFFFAOYSA-N 407.453 1.192 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C 1185675632 RVTBZUMGWVNJEF-NSHDSACASA-N 406.869 1.368 30 10 HDEE COC(=O)[C@@H](O)C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1188434658 FLXXUXMOVKTADG-AWEZNQCLSA-N 417.281 1.255 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 1214686579 BAKCORNHSRKHJD-HIFRSBDPSA-N 415.537 1.580 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)C(=O)OCc3ccccc3)cc2C1=O 1254715037 QUDYJMZISFRJHH-SFHVURJKSA-N 408.410 1.303 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1255375831 IYDSEOBVDHPYFB-DADMQRQGSA-N 419.503 1.817 30 10 HDEE N#Cc1ccc(CS(=O)(=O)Nc2nccnc2I)cc1 1260037989 JZMHPZSRFCZNFV-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE COC(=O)c1cc(C(=O)Oc2ccc(C#N)cc2I)n(C)n1 1270724259 OZKKKQJJVDZAGB-UHFFFAOYSA-N 411.155 1.902 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1286359565 YZOCYMUFGCFBQX-UHFFFAOYSA-N 411.510 1.230 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1286373398 MVEKKIISLGLWCP-UHFFFAOYSA-N 401.421 1.391 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286384701 JPTCXUJKUKOBLN-RTBURBONSA-N 419.526 1.655 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1286390715 BEHYYAKJFHSWMK-QGZVFWFLSA-N 421.611 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1286462559 MDZLSQIEQAPZLN-QFIPXVFZSA-N 424.505 1.439 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286781013 MCCHBRUWLOZMMP-CQSZACIVSA-N 420.539 1.549 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)OC)C1 1286784465 IFIXEVDLEVLXNT-OAHLLOKOSA-N 413.478 1.645 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1288999590 OZDDQDWHNKSWON-QZTJIDSGSA-N 424.505 1.543 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCN(C(=O)OC(C)(C)C)C1CC1)c1cc[nH]n1 1292761596 FWINUVUXZVTILT-UHFFFAOYSA-N 423.470 1.209 30 10 HDEE CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1295133195 VHPNSBSJJUWTQX-VLGSPTGOSA-N 413.482 1.029 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1297797412 XTTUVFYIZIADBV-HBIPHATFSA-N 404.452 1.351 30 10 HDEE CO[C@]1(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)CCOC1 1299820826 MEKGWZOTKFWBRP-NRFANRHFSA-N 412.494 1.916 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1300310738 ZCQJGGSHTBYLPU-RHSMWYFYSA-N 421.498 1.256 30 10 HDEE COc1ccc(OCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1300323929 RRCXVLDWRZEZLQ-QFBILLFUSA-N 413.478 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2CC)CC1 1300699795 HWXRZMSFWVQTRH-GBESFXJTSA-N 419.595 1.762 30 10 HDEE COCC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1301291226 RVAHJSWAGMYAJD-ZCXUNETKSA-N 416.526 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301594000 ZXCMQZHCJVTRBQ-OAHLLOKOSA-N 408.528 1.143 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1302842133 RKZVXQMZALMGTL-UHFFFAOYSA-N 404.540 1.924 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1303004708 SDOFUVISPONMCU-RTBURBONSA-N 424.505 1.607 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1 1303764756 GXBBXHZQRXKNBR-HNAYVOBHSA-N 407.492 1.502 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1304269981 AYPFWHAAKKBSPW-WBHUJUFNSA-N 407.879 1.090 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(-c4ccc(C=O)o4)ccc3O)C[C@H]1CS(=O)(=O)C2 1304270662 HGAQPDGRSDRXOR-ORAYPTAESA-N 400.412 1.475 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1305551044 RXIKVYCMDISBMK-OALUTQOASA-N 403.575 1.938 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1 1309643362 IIUZEBDHFGMPEZ-MRXNPFEDSA-N 419.425 1.292 30 10 HDEE C=C[C@H](COC)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1312558526 IQYUUFVSGUSROH-CABCVRRESA-N 411.499 1.819 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1313034649 MRSCVTVRQVXIOF-QGZVFWFLSA-N 406.527 1.552 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1=CCCOC1 1315652893 BROJLTOXCHEZGA-KRWDZBQOSA-N 411.462 1.941 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCC1(O)CCOCC1 1316100867 BTIYHBPYHXQAJD-KRWDZBQOSA-N 407.515 1.470 30 10 HDEE COC(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)n(-c2ccccc2)n1 1326288783 XIEIITMBZCWGKA-UHFFFAOYSA-N 416.441 1.888 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358966320 MOMNEIAKQIBKCY-GOSISDBHSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1358976708 NTMNSZKMFKMGLN-UHFFFAOYSA-N 416.485 1.570 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1([S@@](C)=O)CC1 1358982954 QAJWQCBILXIXLO-GDLZYMKVSA-N 412.515 1.850 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1359010364 NGWPRHCDULFAMX-HZPDHXFCSA-N 402.524 1.099 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC)CC1 1359033681 LSOHFYQXOWVKHW-UHFFFAOYSA-N 403.490 1.937 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1359063857 GFHHTBAFRQBNTL-SJKOYZFVSA-N 423.568 1.343 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359131867 HROCDCURIXQFCX-JKSUJKDBSA-N 400.545 1.982 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(O)cc1 1359281950 NQEORDCYUGEKDM-MRXNPFEDSA-N 406.508 1.573 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359297177 ICAKUCPSAQEZIV-HTAPYJJXSA-N 411.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359297359 NWUOGPAZQSLVNH-HTAPYJJXSA-N 411.506 1.940 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359310287 RYCDHDJCYJSIKZ-NVXWUHKLSA-N 424.505 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCSC(C)(C)C1 1359332834 ICCMKCPVALTSRJ-AWEZNQCLSA-N 400.570 1.715 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1359852025 QAOHARKECDAXRB-IBGZPJMESA-N 407.536 1.948 30 10 HDEE C#CCOc1ccccc1CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1360337199 HJZRORULXBPGEY-UHFFFAOYSA-N 421.515 1.852 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1360473973 DRMBFUMMWGVQSS-AEFFLSMTSA-N 412.542 1.954 30 10 HDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1449708569 WHOXSIVDJMCYSQ-SJCJKPOMSA-N 406.439 1.507 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CC3CC3)[C@H](C(N)=O)C3CC3)C2=O)cc1 1454960708 NSPYLZGFFOCXAL-MJGOQNOKSA-N 423.473 1.266 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N=S1(=O)CCOCC1 1456898613 VKYHRBCHMMRQSF-UHFFFAOYSA-N 413.521 1.310 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1460223786 VNHWGMPKDLRUTF-BMFZPTHFSA-N 404.463 1.915 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCO1 1461854914 ZMZSOTWJZUVYAE-GOSISDBHSA-N 407.536 1.947 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1462359123 YBNIFGGDWIMRFN-LJQANCHMSA-N 411.483 1.476 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1cccc(C)c1 1463163532 OIMLXIOUVSEIMY-GMLUQMLDSA-N 415.515 1.301 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(OC)(c3nccn3C)CC2)c1 1471677732 YVODORPBPOFXBS-UHFFFAOYSA-N 416.503 1.110 30 10 HDEE Cc1ccc(C(=O)N2CCN(C3CCCC3)[C@H](C)C2)cc1S(=O)(=O)NCC#N 1471825505 KRQPESNPSMTVDJ-MRXNPFEDSA-N 404.536 1.886 30 10 HDEE CCOC(=O)C1=C(CN(C)C[C@@H](O)c2cccc(C#N)c2)NC(=O)N[C@H]1c1ccco1 1473620600 MWOZTXIGMMJJQA-XLIONFOSSA-N 424.457 1.988 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H](C)c4ccccc4)CC3)CC2)o1 1473753918 DFINQKUTNYMFOD-GOSISDBHSA-N 422.533 1.882 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1478568244 NYSZMQPDPXRLQK-RBUKOAKNSA-N 411.506 1.605 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)nc1 1479029939 AMOPSHBLMCLFRU-UHFFFAOYSA-N 420.517 1.946 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)[C@@H]1C 1493919689 DFWPBRXAVGZBMB-HUUCEWRRSA-N 402.524 1.943 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)N1CCOCC1 1499247367 VZUDIOYHBHVHCD-MOPGFXCFSA-N 408.506 1.833 30 10 HDEE CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC[C@H]1C 1504510667 LZPVCCPLAFXIMA-CKEIUWERSA-N 419.507 1.554 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1507533189 KXMXOUVOJBOPSV-FPTDNZKUSA-N 419.489 1.128 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1507576906 XTUBPORZQLJNAF-IAGOWNOFSA-N 422.599 1.612 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC)C(=O)C1 1507796517 BASMFIBYYJUBAY-VQIMIIECSA-N 411.510 1.775 30 10 HDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1507848831 SXRDELDAZAMMQJ-UHFFFAOYSA-N 424.498 1.824 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507946411 RHPYHJVBWAICAT-INIZCTEOSA-N 412.498 1.411 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508159146 LBPBEGSWBGMUSD-JKSUJKDBSA-N 420.583 1.842 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)n1Cc1ccc(C#N)o1 1509585273 RGQHGTGWKSIXCH-OLZOCXBDSA-N 422.511 1.187 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1517906475 HCSDGVFSGJBOLL-UHFFFAOYSA-N 410.478 1.291 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1518749030 GFUIYRQBGZSTRP-OAGGEKHMSA-N 401.398 1.915 30 10 HDEE C#C[C@@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(Br)cc1 1525048593 IGIHHTLDEDBKJZ-OAHLLOKOSA-N 420.288 1.737 30 10 HDEE N#Cc1c(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cccc1OC(F)(F)F 1525108866 BGRMRCISXVIZIK-VDERGJSUSA-N 423.347 1.948 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCCC1 1530735247 MNPUOEPGZYKRSX-MRXNPFEDSA-N 407.536 1.695 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)ccc1C#N 1531448248 FSXUOPWDAZUBOK-UHFFFAOYSA-N 406.489 1.479 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1534146870 UJWCVXVDCFPCKH-MRXNPFEDSA-N 423.491 1.458 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CCC2(CCOCC2)CO1 1534675026 DQPLISJSJCOOSM-HNNXBMFYSA-N 421.519 1.207 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C(=O)OC)C1 1536539616 SXPJAVMORSLDDG-SWLSCSKDSA-N 423.263 1.816 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1539145056 CCQLKRRZWZQKDG-UHFFFAOYSA-N 410.478 1.075 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539203520 RKVCKYRWSBSEQW-HNNXBMFYSA-N 404.540 1.293 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539222577 WQUJQERAQZMPNV-IKGGRYGDSA-N 424.592 1.694 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1539361768 DMINIZYDAIIRHK-OAQYLSRUSA-N 408.462 1.859 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1539428222 NXLOPGOLENNUFT-RBUKOAKNSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1539432151 YMCPDHSTVWZJSI-JQVVWYNYSA-N 417.554 1.501 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cncn2)C1 1539518322 XRSJLFLQBJMVDL-IAGOWNOFSA-N 401.540 1.972 30 10 HDEE C[C@@H](CC#N)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1539544607 SBXRHAYEQMZSIG-IMJJTQAJSA-N 406.483 1.967 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540042831 RXESJCKHJBBOTN-MDKPJZGXSA-N 419.526 1.311 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1540916488 CEMOSAHZQBPFAW-AWEZNQCLSA-N 408.553 1.526 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1541296036 XTNOPUPOVQBUQL-RBUKOAKNSA-N 404.446 1.855 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)n1 1543066621 GTABSUWZBRHMNB-KRWDZBQOSA-N 400.531 1.456 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)C1(OC)CCOCC1 1548185095 KSGZQVSCFJBLPQ-AWEZNQCLSA-N 415.441 1.374 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)OC 1555248311 DOCNFUBQROEEBU-QRQLOZEOSA-N 424.505 1.441 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](n3cncn3)C2)C1 1556270521 VSMVWZBLHZRXRA-HNNXBMFYSA-N 401.268 1.822 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1556375848 UJDOEMJHVUNTCE-OXJNMPFZSA-N 408.426 1.598 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1568429654 WVGMXYSIILVCKC-CVEARBPZSA-N 413.540 1.320 30 10 HDEE C#CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CSC1 1584180466 NBAKRBFXWTYMJL-UHFFFAOYSA-N 420.560 1.333 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]12OCCC[C@H]1C2(F)F 1584800510 HKCIXBFYUGJDIK-PBHICJAKSA-N 413.446 1.436 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587852184 RVEQFSQIIWSISP-LJQANCHMSA-N 420.517 1.913 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1588310059 NXEXUCYAERALDW-UHFFFAOYSA-N 404.540 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC1 1588627856 AMJNPKQXNYUMLT-UHFFFAOYSA-N 422.489 1.286 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(-n3cncn3)nc2)CC1 1588741438 CFZXCNJPTNASFT-QGZVFWFLSA-N 405.510 1.571 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589381567 GAZQOVXAEZLTHP-LBPRGKRZSA-N 408.304 1.679 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 1593696364 ODIILXXSVHSZHI-UHFFFAOYSA-N 420.558 1.848 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1594937101 RYSRSOIXLHFGEK-UHFFFAOYSA-N 416.507 1.783 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCCC1 1595266587 IYLZIAQXOSCQFI-UHFFFAOYSA-N 400.483 1.869 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@H]1C 1595302899 GIVQQOPWPSOKFH-MDZRGWNJSA-N 412.556 1.370 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1595405114 CRXQTGRVOLYMCC-HUUCEWRRSA-N 406.512 1.517 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)OC1CCCC1 1595506708 JYNHEGIYVYALJD-UHFFFAOYSA-N 423.481 1.533 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1595845266 QJJBLBRGVXERMG-IHRRRGAJSA-N 401.558 1.175 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1597816007 PXSLLIKRTSVKEM-QFIPXVFZSA-N 424.505 1.606 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1611303673 RGBAYKGDXSAENN-ZBFHGGJFSA-N 420.468 1.829 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]2CCN1C2 1614685309 LYMDREZKESGUGY-MJGOQNOKSA-N 400.328 1.665 30 10 HDEE CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1619490396 ALUWJQPTDSMJOJ-YQVWRLOYSA-N 424.505 1.855 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@](C)(Cn1cccn1)C(N)=O 1620657386 QBVKVTZCOWCDRA-IFXJQAMLSA-N 400.508 1.750 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)co1 1623601309 HXTCJKRXQRLYSD-UHFFFAOYSA-N 407.423 1.914 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 1623669917 XHLZYPOGEMWLJQ-IIBYNOLFSA-N 415.494 1.362 30 10 HDEE CC(C)C[C@@H]1CN(C)CCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626655947 NXGNUBCAGOSHPH-RTBURBONSA-N 411.506 1.952 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1626888417 DESKGKPUMUXSLN-OAHLLOKOSA-N 405.451 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NC1(C#N)CCCC1 1627351916 PUYWBKJYDJFYTF-RRFJBIMHSA-N 411.524 1.609 30 10 HDEE CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@H]2C1 1629127484 DHPXDGXYYGBAHD-QANKJYHBSA-N 407.467 1.500 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(CC(F)(F)CO)CC1 1631476660 QJTPYWLYMXJKJL-UHFFFAOYSA-N 418.238 1.471 30 10 HDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1632288614 IYRNFNCTLFSMEX-UHFFFAOYSA-N 424.505 1.862 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)c1 1634131985 RZSHHAWVZKLMCX-AWEZNQCLSA-N 403.426 1.355 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634187511 AEIZBRZOMFHGPM-WMZOPIPTSA-N 412.494 1.499 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CNC(=O)c3ccccc3Cl)C2=O)cc1 1634583751 CNIVUFUYXOLMFW-SFHVURJKSA-N 410.861 1.859 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1 1635680185 OSXCOVVSNSLREX-HNAYVOBHSA-N 414.897 1.991 30 10 HDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 1635938717 RVRJTBUEUMQIOR-NRFANRHFSA-N 406.486 1.614 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(O)cc(Br)c1 1636559741 FNKKJRJPNPIVCK-UHFFFAOYSA-N 410.249 1.832 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CO 1636609563 PKAQYBPCZRJDNQ-JZKQVHKSSA-N 409.442 1.275 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1636714731 YFHUBODFKPYRHD-UHFFFAOYSA-N 402.501 1.865 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc2c(=O)[nH]ccn12 1638175129 SEHULCXEAPPFHM-QWRGUYRKSA-N 410.862 1.631 30 10 HDEE N#Cc1ccc(NC2CC2)c(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)c1 1639417805 HUPNKBFKEPQNLI-UHFFFAOYSA-N 403.439 1.970 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1640925361 GIRMQSCGIVKULZ-QZTJIDSGSA-N 419.503 1.991 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2ncns2)CC1 1641148725 GLKFUZFPLZUEPC-UHFFFAOYSA-N 408.281 1.900 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1641836785 JZEARFVOLFKANO-SFHVURJKSA-N 417.531 1.959 30 10 HDEE CN(CCN(C)C(=O)[C@H](O)c1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 1641857294 RUIXOOJFTVUUMN-HXUWFJFHSA-N 420.469 1.278 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1642431241 ZBUCFSQNCQVUKU-HOTGVXAUSA-N 403.483 1.714 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]4CCNC(=O)[C@H]43)CC2=O)cc1Cl 1643489010 VOTSGTAAJISIOH-DFHBCGBQSA-N 400.866 1.692 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1644059094 MOQMGHDJGQQCBT-YXMSTPNBSA-N 400.445 1.726 30 10 HDEE N#Cc1cc(F)cc(Cl)c1OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 1644070864 QXMXHBAQQHCECY-AWEZNQCLSA-N 415.874 1.061 30 10 HDEE C=CCC1(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCOCC1 1646408063 JBPLPVOPDDBVSF-OAHLLOKOSA-N 407.511 1.696 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C1CCN(C)CC1 1646421096 LCNDTJFVRMIDCD-SFHVURJKSA-N 420.554 1.306 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)C2)c1 1647932783 LDTGYUNKUNMSAL-SFHVURJKSA-N 406.446 1.371 30 10 HDEE C=CCCn1cc(C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nn1 1649389916 DGHIZYOTCZUUGV-UHFFFAOYSA-N 416.441 1.995 30 10 HDEE C#CCN1CCN(C(=O)Cn2cnc3c(F)ccc(Br)c3c2=O)CC1 1652935430 RKSMLEHIBRNYFX-UHFFFAOYSA-N 407.243 1.076 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)NCC3CCN(CC#N)CC3)c(Cl)cc21 1662193483 WKPWOFMCQULJFZ-UHFFFAOYSA-N 410.927 1.763 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CCc3ccncc3)CC2)c1 1664045188 KOOPGBRITDBMDI-UHFFFAOYSA-N 414.531 1.546 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OCC 1665221592 KVBUPJBRMWTELA-ZDUSSCGKSA-N 403.428 1.797 30 10 HDEE Cn1ncc(I)c1CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1675450732 QLHCEPUSEYFCHJ-CYBMUJFWSA-N 421.242 1.863 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCCS(=O)(=O)NCC2CCC2)CC1 1677109956 DIBSEZUWBQHBTK-UHFFFAOYSA-N 411.553 1.171 30 10 HDEE C#CC1(O)CCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1679136925 NPWSSDSZPBVJAM-UHFFFAOYSA-N 420.409 1.529 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 1679278694 ACGZXNXJZQOTBP-UHFFFAOYSA-N 405.929 1.240 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 1680778744 LPXCHEWLCSNVFP-PXNSSMCTSA-N 400.504 1.577 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1686493385 LAEYBEXQOJBGDU-UHFFFAOYSA-N 409.508 1.686 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)N(C)C 1689840086 SCKNSKSCCCEWBH-KXBFYZLASA-N 405.510 1.719 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1689982240 JYYPKHSDLGBJHJ-PXNSSMCTSA-N 422.551 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC(=O)NCC(F)(F)F 1690011493 RPGFHLKSHYDYOS-UHFFFAOYSA-N 405.380 1.705 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1690013591 VOCCGHWVYTYDBZ-KRWDZBQOSA-N 402.462 1.209 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690497112 HTMKLBOMSRALBB-OAHLLOKOSA-N 419.486 1.278 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(C)=O)CC1 1690672108 HXEHKMCTXJGEKS-UHFFFAOYSA-N 418.448 1.118 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnccc2OC)C1 1690709702 KDRJKLJWSGNLAV-KRWDZBQOSA-N 412.494 1.634 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690740083 IPTVOPAOPXVBJR-GOSISDBHSA-N 422.580 1.613 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1692659799 AHEDRYVYQBINPB-IFXJQAMLSA-N 417.539 1.075 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1694841729 DPQIQQRWSCAMQU-GQIGUUNPSA-N 403.506 1.936 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)[C@@H]1CCSC1 1696630622 GSQNHBCFZYRDGG-OAHLLOKOSA-N 406.537 1.308 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1O 1697450308 FOLMBELWQWNHAN-UKRRQHHQSA-N 419.507 1.539 30 10 HDEE COCCCN(C)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1697988896 NODCMDQDPNRHTG-KRWDZBQOSA-N 414.510 1.651 30 10 HDEE COCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1697990189 MVJIXGZCZUBXGL-RBUKOAKNSA-N 417.558 1.274 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1705495025 JSIPQOIECHCQQA-JKSUJKDBSA-N 418.519 1.726 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705612378 FXTFPWWLMFNMDK-FQEVSTJZSA-N 423.565 1.827 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2C2CC2)CC1 1705632425 PPYRPEBOYCVUIE-LJQANCHMSA-N 413.570 1.188 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705751938 CNVAWIILIAPZKS-ZDUSSCGKSA-N 411.919 1.253 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOc2ncccc2F)CC1 1705763561 XYFWNQAFQLXPIQ-CQSZACIVSA-N 424.502 1.658 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1705819318 JCWZERJUYYKUKY-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705828410 MWPYXHLFJJDKCE-PKOBYXMFSA-N 413.526 1.485 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705897354 LFVAOXVSLMPRQT-HNNXBMFYSA-N 416.530 1.498 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2CCOC2)CC1 1705902281 ASGDPEMYFZSXQI-ROUUACIJSA-N 403.527 1.727 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncn(C)n2)C1 1705920135 RDFQQTKNONRSCP-INIZCTEOSA-N 410.438 1.811 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cn[nH]c2)CCOC1 1706672347 MPKFBRYGHQNCQU-RBUKOAKNSA-N 403.462 1.726 30 10 HDEE CN(C)CCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1711016072 YUSNBKOVGKESCV-GOSISDBHSA-N 421.505 1.800 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1711943584 HRNPSSCZWOYUTF-KUHUBIRLSA-N 419.507 1.099 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1722276155 HJTJHWPVVWGPMV-KWCYVHTRSA-N 410.569 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722377829 KHGQHWTUCBCXKA-UHFFFAOYSA-N 416.478 1.097 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1722382088 WWLFPDMGFZVNRB-IBGZPJMESA-N 418.501 1.247 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1722405111 JFXBGAUPLVUFTH-WIYYLYMNSA-N 405.543 1.499 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](OC)C(C)C 1722446641 GTQRPCTZNPVQOA-KRWDZBQOSA-N 403.483 1.763 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOCCOC 1722474043 KAXVUXUDIZQLNI-YLJYHZDGSA-N 424.567 1.616 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722699032 QNOFOHNUFVHXOG-SJORKVTESA-N 413.526 1.592 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722702029 CTAVSMLHWGVQCZ-HUUCEWRRSA-N 401.471 1.507 30 10 HDEE CCO[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728947531 QDELRIMRSVGMSK-UHHPSXQGSA-N 402.499 1.933 30 10 HDEE CN(CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1729524858 WJUBDGDQDDVZSB-GJZGRUSLSA-N 416.448 1.785 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1730717357 DVNQGNOPWKDMME-QGZVFWFLSA-N 418.523 1.323 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1740625321 NHXLUHQCHWCCTR-DOTOQJQBSA-N 419.576 1.642 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740625417 FKSHYECCTMQDPR-SJORKVTESA-N 410.540 1.573 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740672364 DOXIRGCXUMOHBF-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1740674981 ZXUFKNBDBWKZAU-UHFFFAOYSA-N 401.492 1.623 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CN3CCCC3=O)n2[C@H]2C[C@H]2C)n1 1740689160 QHMGTZZPZKYKGP-AEFFLSMTSA-N 411.510 1.464 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740808244 CVMJAODEOBBQLM-UHFFFAOYSA-N 417.945 1.781 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1740848799 RLZBDIQWUGNIFD-HNNXBMFYSA-N 411.572 1.743 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740867362 GWPLAMRSXAEPLE-GOSISDBHSA-N 403.575 1.599 30 10 HDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1740876201 FDNDYHQYNFBROV-QGZVFWFLSA-N 404.492 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC(C)(OC)C1 1740953938 WMWWMPUGSBEWRE-UHFFFAOYSA-N 407.478 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740974001 AQAATSYXKXTKLI-HNAYVOBHSA-N 422.507 1.177 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1741992968 FFRTXWPFPNGKFZ-SFHVURJKSA-N 408.506 1.940 30 10 HDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1742984292 ONDJZWCCEVPROM-PLGXQAJASA-N 424.509 1.830 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 1746673938 CYTCFJKLEPQFCT-NRFANRHFSA-N 418.542 1.975 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1 1748035062 LFOSRTVOVJKMFG-OFOKGCAXSA-N 400.519 1.537 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1748887047 QXWHVLCBSCIPSJ-GOSISDBHSA-N 416.489 1.599 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1748953704 RWEXKGGTHIUZHX-QHCPKHFHSA-N 418.501 1.914 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCN2CC)CC1 1748990971 NOXNPRMPDDGNGZ-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1749475601 KOOMWLPEJUUVPH-UHFFFAOYSA-N 404.482 1.909 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCc2ccccc21 1749597946 QVHPKWMRCLCIOP-PGRDOPGGSA-N 411.506 1.702 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749627494 PPZFTXSXGUFTTI-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1749721790 UEWVKGRXBPSMSI-BEFAXECRSA-N 409.556 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CCOC(C)(C)C 1749734205 FSTOCXPNIFGWAD-OAHLLOKOSA-N 400.545 1.634 30 10 HDEE COCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1750090965 XZFWWYLBVLGSRZ-UHFFFAOYSA-N 413.482 1.718 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C 1752318026 DMQSPSHFDJDUNE-CZUORRHYSA-N 416.432 1.908 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1760143218 ZFKHUROGQFROSR-LAUBAEHRSA-N 403.527 1.696 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1760185716 BRTBRSKSQIFEJG-ROUUACIJSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNC(C)=O 1760220250 YHOSSBAEXZEJOX-HXUWFJFHSA-N 407.474 1.780 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1760272062 XDMDRWHZWZMJJW-OPAMFIHVSA-N 401.555 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCOCC1 1760290685 NAHWZXWUYPMWEH-CTNGQTDRSA-N 404.511 1.464 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1760293798 FKFMRKZXHMAFGY-YZVOILCLSA-N 405.524 1.046 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(N)=O)C1 1760322554 UKMAEVJEEBIUBX-TVFCKZIOSA-N 403.527 1.855 30 10 HDEE C[C@@H](Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1760695912 BTOZZPFRKOKATD-ROUUACIJSA-N 422.537 1.833 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CCCO2)CCOC1 1761292208 WFELBRFDCKPVJS-FFZOFVMBSA-N 405.499 1.617 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)CN(C)C1=O 1762597088 JDDQXQHOTHAXSN-QFIPXVFZSA-N 407.522 1.649 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CC=CCO2)cc1 1771534799 OZJCALFNKRHLTA-SFHVURJKSA-N 408.462 1.400 30 10 HDEE COCCNC(=O)c1oc2c(c1C)C(=NNS(=O)(=O)c1ccccc1)CCC2 1772746419 BRQCJYVYCMOHMS-UHFFFAOYSA-N 405.476 1.983 30 10 HDEE C[C@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)n1nc(C2CC2)ccc1=O 1852077526 DQKKXVLJSGXCJA-SECBINFHSA-N 406.386 1.552 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cccnc2OCC)C1=O)[C@@H]1CCN(C)C1=O 1854131227 FQRGHODFEZIILC-ZWKOTPCHSA-N 414.506 1.720 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2sc(C)nc2C)C1=O 1854263664 XIBZWWSVLRZUHP-IAGOWNOFSA-N 418.563 1.929 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(OC)ccn2)C1=O 1854301353 HQIGWIHFEPGLNV-ROUUACIJSA-N 400.479 1.330 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CC(Cn4cc(C)cn4)C3)C2=O)CC1=O 1854882010 YIWBQEMNVZMRMW-OALUTQOASA-N 413.522 1.066 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3cccnc3Cl)C(=O)C2)C1 1854936119 XZKLDNLLMGUMIZ-WBVHZDCISA-N 403.914 1.715 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)C1 1854957521 XYDDUHKDZUFDHS-CRAIPNDOSA-N 404.461 1.945 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)Cn2cnc3ncccc3c2=O)C1=O 1855854578 TWURQLXTKNDHKM-FUHWJXTLSA-N 409.490 1.740 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)ccn1 1856469992 JYZNPXUKIAIZJA-SFHVURJKSA-N 416.503 1.126 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)Cn3cnc4ccccc43)C(=O)C2)C1 1856856556 DKKOTVFPORKEQG-MOPGFXCFSA-N 409.534 1.994 30 10 HDEE CCOc1ccc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857110354 VDMBFVRPONEQRY-IBGZPJMESA-N 406.442 1.856 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3nccc(N4CCOCC4)n3)C2)CC1 1857241179 GQXYPGSFRLRPDM-GOSISDBHSA-N 413.522 1.590 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 1861615721 CYFHUMCNWYGNSA-FHWLQOOXSA-N 413.518 1.428 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCC(C(N)=O)CC2)cc1=O 1870384593 XZHVIRZKFCDOHG-UHFFFAOYSA-N 416.522 1.123 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1CCc2ccccc2C1 1870581773 BKRTVZBXDXWYHY-UHFFFAOYSA-N 423.513 1.830 30 10 HDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560848 OULPPEIWEABIQP-UHFFFAOYSA-N 415.494 1.415 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874449034 RBJLJUDBTARWMH-TVYFDWKESA-N 407.408 1.891 30 10 HDEE CC(C)N1C[C@@H](c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)CC1=O 1874564464 GAIAGNASKCQTNT-MJRCGYGRSA-N 406.424 1.493 30 10 HDEE C=CCNC(=O)N1CCN(c2ncnc3c2nnn3-c2ccc(OCC)cc2)CC1 1890112870 DWHQFNRWXBCKQD-UHFFFAOYSA-N 408.466 1.627 30 10 HDEE COC[C@H](C)NC(=NC[C@@H]1OCCOC1(C)C)N1CCN(c2cc(C)ccn2)CC1 2087917814 GFTVPQOTYZYGKS-OALUTQOASA-N 419.570 1.687 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2118165574 CLNRVFXWQQGHKA-WBVHZDCISA-N 416.459 1.315 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)CC2(C#N)CCCCC2)C1 2168120019 QVAYVDZIFQZAGC-HUUCEWRRSA-N 401.529 1.750 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1 2188810605 ZHSANVKNUPASBX-CMPLNLGQSA-N 415.493 1.751 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243370842 SYPOKYPXGRGNAD-CABCVRRESA-N 403.288 1.776 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(CC#N)Cc1ccccc1 2243412526 OPKPQPHHXRJHFG-UHFFFAOYSA-N 416.312 1.434 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247807887 ZFXANCCTQONGHJ-UHFFFAOYSA-N 421.347 1.727 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)o2)OC1(C)C 2247863740 VVFSCLXDFVKOTK-WDEREUQCSA-N 414.189 1.566 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]3(C)CCNC3)cc2Cl)OC1(C)C 2267356526 MFMCWOYPPQLLQI-OAHLLOKOSA-N 406.766 1.731 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC(C#N)CC2)C(F)(F)C1 2279126157 FPUFBSKLCJLWRQ-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](C3OCCO3)C2)n1 2281997311 ZTRAWNHFFBJROM-CQSZACIVSA-N 405.304 1.427 30 10 HDEE CCON(C1CNC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282320393 HYSATMBCJTVQSC-UHFFFAOYSA-N 402.347 1.270 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CN)C1 2282332321 ZDXOOHNTJWJQQE-STQMWFEESA-N 400.375 1.795 30 10 HDEE C[C@H]1CNC[C@H]1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332895 HTSFSAYZXIHWGL-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE C[C@@H]1CCC[C@@H](CN)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333223 LTSFLOOTOBHLMF-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@H](O)C2CC2)OC1(C)C 2282408009 DXBHHXCERNWALB-CYBMUJFWSA-N 402.347 1.023 30 10 HDEE CC[C@H]1NCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282420023 UDTZZAAJZHEDTR-KGLIPLIRSA-N 400.375 1.607 30 10 HDEE C[C@H]1CNCC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282497733 UMDXOARHOBRNRL-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCO1 2282500758 NGYSZSQCMKIIID-DGCLKSJQSA-N 402.347 1.429 30 10 HDEE CC1(C)[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282507816 MNOJQUQZDZFAJV-AWEZNQCLSA-N 401.721 1.783 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@H](O)C1 2282835422 UQQSLDISHCKUGU-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CNC(=O)C3)cc2Cl)OC1(C)C 2282835607 XGQXSRKYBICGRF-SECBINFHSA-N 420.749 1.115 30 10 HDEE CN([C@H]1CCCCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282864528 HFCQSTBTJRRKNQ-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282881861 DFXKMURBSGHKOZ-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284397353 LIAMBMXCZBNCAQ-ZDUSSCGKSA-N 403.331 1.777 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 2296611297 QLNTXUSIZMACOQ-SFHVURJKSA-N 414.462 1.764 30 10 HDEE COCc1nnc(SCCO)n1N=Cc1cc(Br)c(O)c(OC)c1 2331612959 BNCJRTUQWQMVCY-UHFFFAOYSA-N 417.285 1.868 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 2342043127 HHJPMSAHAHDBBH-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2C[C@@H]2CC(=O)O)OC1(C)C 2360937621 FIYNRYHPZZRRSV-MNOVXSKESA-N 401.315 1.436 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365210532 ISPGKNMOSRMNFW-KHYOSLBOSA-N 402.557 1.409 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCCNC(=O)OC(C)(C)C 2365213177 VQHCUNQUHCPDIL-KXBFYZLASA-N 404.573 1.847 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365241312 OLNKYLJGEWXLLW-KBPBESRZSA-N 405.513 1.834 30 10 HDEE Cn1cc(C#C[C@@H](N)[C@H](O)c2c(Br)cncc2Br)cn1 2366118172 JDDZZDVFONQZCY-YPMHNXCESA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](O)C#CC2(S(C)(=O)=O)CC2)OCC1(C)C 2367784376 BEZNNPUIRZVEGO-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(COC)CC(NC(=O)OC(C)(C)C)C1 2367791057 XLOBOJXHVXYVQH-SWKXRBFHSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367817016 JPMOJTQDVZTQRR-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2 2368659407 FFTOIRFDONXWBE-PMPSAXMXSA-N 400.545 1.395 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1c(N)nnc1SCC#N 40173480 CXOKWYDSHFISNP-MRVPVSSYSA-N 405.509 1.715 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C(=O)C1=O 64835471 DWHTXGAYCOFZTL-UHFFFAOYSA-N 405.520 1.313 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 96348686 IOSNYSWMHSHQFO-KRWDZBQOSA-N 405.454 1.576 30 10 HDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1C 102532188 HFIYSYXYQLMIOY-LXMVLSBBSA-N 415.446 1.994 30 10 HDEE NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc(S(=O)(=O)O)cc2)C1=O 105571807 YJOJISGEDIMHSB-XMHGGMMESA-N 403.445 1.191 30 10 HDEE COCCN(CC/C(N)=N/O)S(=O)(=O)c1cc(Br)sc1C 122333782 UQXUQDUYTRPYTC-UHFFFAOYSA-N 400.320 1.593 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](CO)c3ccccc3)C2=O)cc1 426904015 UZHVDFHTEMAKTL-MJGOQNOKSA-N 406.442 1.656 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)CC1 430374436 BJNYVYALNONNNF-UHFFFAOYSA-N 418.519 1.856 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)ccc1F 443735305 TXAUTOZBWPATBH-UHFFFAOYSA-N 423.900 1.669 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CC#N)CC1 446313156 QEMQLMULZKXGPQ-CYBMUJFWSA-N 414.325 1.527 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 460384704 FDIPUNWNXQWFOI-UONOGXRCSA-N 401.558 1.129 30 10 HDEE Cc1ncsc1-c1nc(CS(=O)(=O)CC(=O)NCc2cccc(C#N)c2)no1 471501438 YGNHAOLJRGPKEN-UHFFFAOYSA-N 417.472 1.604 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCC[C@@H]2COc3ccccc3O2)cc1 484679565 NCVQRYLQSYREFB-QGZVFWFLSA-N 409.442 1.887 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 486443947 GZMQXCIVCHGHGG-UHFFFAOYSA-N 418.454 1.355 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC2CCC(C#N)CC2)CC1 508349854 YWZWKTLCOZGISK-UHFFFAOYSA-N 407.540 1.873 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508467114 XEDYUQZIDDCHKC-HTAPYJJXSA-N 423.473 1.931 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@@H]3CCC(=O)NC3=O)c2)c1 512496036 GGFTTYOHEYLTFT-GOSISDBHSA-N 405.410 1.800 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 513113085 JHIIXIXQNYCBMD-UHFFFAOYSA-N 413.457 1.511 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccncc3OC[C@@H]3CCOC3)CC2)n1 514128206 FVEPUAAPHIBWFS-QGZVFWFLSA-N 422.489 1.795 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 515911233 IKUXHPCZTYLQBB-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 517784645 UDIQNGBWIZBOBZ-CABCVRRESA-N 415.585 1.519 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCO1 521575722 ZAUBHJFTSNEFLU-IBGZPJMESA-N 411.483 1.798 30 10 HDEE Cc1csc(NC2CCN(C(=O)C(=O)Nc3cc(C)nn3CCC#N)CC2)n1 525919540 KUUAGKJCUHYCPM-UHFFFAOYSA-N 401.496 1.912 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 532513425 XZAQQTNQXMJLME-HZPDHXFCSA-N 414.506 1.851 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540338383 QVALPCBVMKXHFF-QUCCMNQESA-N 405.587 1.551 30 10 HDEE C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C#N)n2)CC1 545502226 FGNZMENLJPHKKB-KRWDZBQOSA-N 421.501 1.594 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 549687453 DNWMXTYZTBNSIN-SFHVURJKSA-N 418.542 1.077 30 10 HDEE Cc1ccc(C(=O)NC2CCN(C(=O)C(C)C)CC2)cc1S(=O)(=O)NCC#N 555443082 FZEKXMRXARTYFV-UHFFFAOYSA-N 406.508 1.174 30 10 HDEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562189781 NJTBGVJVKLSRJP-SFHVURJKSA-N 412.515 1.964 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)cc1C#N 562333727 PZFYBZHTYOZISG-KRWDZBQOSA-N 405.549 1.590 30 10 HDEE C[C@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1n1ccnc1 587664403 IDGKXYLGKZXMPP-QFBILLFUSA-N 421.505 1.344 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccncc1 589163965 GSHJRPYEDPAPHV-WIYYLYMNSA-N 401.511 1.142 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 590973053 SVCSGROALWWEMC-UHFFFAOYSA-N 408.458 1.462 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 604524882 HRSYFAGRIVQOJB-KRWDZBQOSA-N 407.474 1.576 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 609459045 OVELYKFCLZYXQY-DLBZAZTESA-N 424.592 1.984 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3n(c2C#N)CCS3)cc1C 609814442 LEUNVVZOTDHNAJ-UHFFFAOYSA-N 405.505 1.737 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611552144 QGPLAEYABZGADC-KXBFYZLASA-N 401.486 1.133 30 10 HDEE C#CCNC(=O)CN1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 728572890 PCLRYLVAKGIMDO-CQSZACIVSA-N 400.306 1.100 30 10 HDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730139665 CDGBYEQENUKHAE-GOEBONIOSA-N 419.551 1.211 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 732465076 DPTMMIJWNHTALH-HNENSFHCSA-N 424.461 1.615 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCN1C1CC1 732650389 QAFVJHCEALKGMH-HOTGVXAUSA-N 408.549 1.490 30 10 HDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665357 YXNBXPBSZTULGH-RTBURBONSA-N 401.486 1.848 30 10 HDEE C=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OCC 734024617 NVOQIEHJSFJPGQ-UHFFFAOYSA-N 401.412 1.123 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 739047749 DIBHZJCWMOYITM-CZVDXFFWSA-N 421.523 1.665 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2n[nH]cc2C1 743901312 GAMCZSPJCRGUFL-INIZCTEOSA-N 401.492 1.592 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCCn2nc3ccccn3c2=O)cc1 748411654 XAPJXBAGRJUADR-UHFFFAOYSA-N 414.443 1.430 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 758772122 PNURREMQRBIQOV-IRXDYDNUSA-N 419.526 1.789 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772909776 KHXKMQSCIQXDSN-UHFFFAOYSA-N 404.495 1.821 30 10 HDEE C#CCN(C(=O)NCc1ccc(-n2ccnc2C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774197211 VNUSYTUXXJEBHU-MRXNPFEDSA-N 404.467 1.652 30 10 HDEE C[C@]1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCN1Cc1ccccc1 779570026 LEZCFWWTPSFONF-SHQVNNEXSA-N 411.506 1.867 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 780862699 OMJOVEHZPATXDC-KRWDZBQOSA-N 405.501 1.623 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC)c(F)c2)c1=O 782783549 MFSZIJBTHVKRAG-UHFFFAOYSA-N 410.470 1.953 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(C[C@H](O)COc1ccc(C#N)cc1)S2(=O)=O 790026523 MNYZXVMLMSBKLR-ZDUSSCGKSA-N 418.427 1.160 30 10 HDEE C[C@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)N(CCC#N)c1ccc(F)cc1 790682536 KTCGBZMQMMBHKW-YCRPNKLZSA-N 415.421 1.617 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790748209 LKGOQODMHCYNJW-OAHLLOKOSA-N 408.549 1.397 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796421008 TZYBEWSHVYGLGU-IDHHARJASA-N 417.510 1.660 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC(=O)N1C 800527157 WKVCQJBKMXMGHO-GJEKEPIOSA-N 407.496 1.194 30 10 HDEE COc1ccc(Br)c(CS(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1 802257509 MIHJOMNFFPHIRM-UHFFFAOYSA-N 410.249 1.984 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CCC1 804162366 IAEOXDNIOCFEPP-UHFFFAOYSA-N 404.442 1.877 30 10 HDEE C#CCOCCOC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 810631399 TTYPBCGRWJMRHP-YRYYUTHUSA-N 405.450 1.659 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)COC(=O)Cc1cncnc1)CCCC2 811328735 YZVJNJLTGJDDCW-MRXNPFEDSA-N 423.473 1.932 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 811493998 QBHKWZHIMSRRQN-DOZGXVTPSA-N 418.493 1.356 30 10 HDEE C#CCN(CC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1)C(=O)OC(C)(C)C 856617615 YORZQZSIOZSCQV-DLBZAZTESA-N 400.479 1.234 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 916694496 IYNXOZSPDQGFOP-MMOSJZJFSA-N 408.480 1.526 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCCc1nnnn1-c1ccccc1 919096575 CVWDPPLEFVJZRS-UHFFFAOYSA-N 416.445 1.912 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)cc2)c1N 919549220 LIKDBPOFCPBHHN-ZWKOTPCHSA-N 409.446 1.653 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccccn3)n2)o1 1084072898 QALMNVKXJGOCRX-UHFFFAOYSA-N 401.456 1.390 30 10 HDEE COc1ccccc1-c1noc([C@@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)n1 1116184132 BYSOPJNTQCSVGF-KRZJZYHWSA-N 411.418 1.839 30 10 HDEE CN1C[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@]2(C)C1 1134332620 QOEHCDNSOFWZLT-NQIIRXRSSA-N 416.547 1.369 30 10 HDEE Cn1cnc2cncc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)c21 1136183164 TWILWPOPZRGPMM-UHFFFAOYSA-N 400.446 1.970 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)Cc1ccsc1 1141973445 GWCCNXBJLLIDDV-HNNXBMFYSA-N 420.560 1.877 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2ns[nH]c2=O)CC1 1144758681 KZUSYGBBQRPGBB-LBPRGKRZSA-N 408.281 1.617 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1146248323 YDJYHNXXLIEBRY-UHFFFAOYSA-N 420.462 1.246 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(CC#N)CC2)C1 1147283699 PJIGUAZFQMCUAK-GHTZIAJQSA-N 400.479 1.470 30 10 HDEE C#CCN(C(=O)C1=NO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CCN(C)CC1 1156646343 FEHHGIOYKPZAEH-OAQYLSRUSA-N 404.511 1.698 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)nn1-c1cccc(C#N)c1 1168554390 DJNOOMKOYKMXPV-MSOLQXFVSA-N 411.462 1.762 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCOCCNC(=O)OC(C)(C)C 1175219803 MEACJUFLNVLGAQ-UHFFFAOYSA-N 415.490 1.759 30 10 HDEE Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1179651669 NIFADXXMPYBOKE-KPZWWZAWSA-N 404.423 1.036 30 10 HDEE C#CCN1CCC(NS(=O)(=O)Cc2c(Br)cccc2OC)CC1 1213772663 AMLVGCGAHMBAQG-UHFFFAOYSA-N 401.326 1.975 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1229531806 NTIISBGMVKKPAJ-JONQDZQNSA-N 406.483 1.622 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1286274242 NAIZLVYHYOZUKG-DYEKYZERSA-N 408.528 1.755 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1286374574 OHIJDKHZBVKZGK-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1286399802 OFCUBLAMHICYCX-SFHVURJKSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1286404541 VKFOQBOXJXMOFQ-UHFFFAOYSA-N 402.458 1.172 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286700386 GTRKWQKFHCWXHW-OAHLLOKOSA-N 410.544 1.104 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(C(N)=O)CCOCC1 1286717627 DNBHDLLQJSVQBB-UHFFFAOYSA-N 415.494 1.867 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286788365 VILWTEMGDOWCNP-IRXDYDNUSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(N(CCO)Cc2ccccc2OC)nnc1C(C)(C)C 1286793118 SKJFUGXUSBTSCD-UHFFFAOYSA-N 401.511 1.885 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)C1 1286808982 OUFBHJSVVIEVRJ-INIZCTEOSA-N 409.450 1.426 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCCC2=O)C1 1286809773 LCYQQOVNUKZZJO-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286817187 KJUBHLGEFZQAQO-IAGOWNOFSA-N 411.572 1.159 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1288517766 FXZANOLETBASKZ-INMHGKMJSA-N 412.498 1.368 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1288524749 GNDSSXKEDXMJSD-OWCLPIDISA-N 423.539 1.462 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289435966 HNZJGAQKUORXAF-SWLSCSKDSA-N 404.414 1.002 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(OC(F)F)c3)CC2)cc1 1290636766 WITPKEHNXBVJIP-UHFFFAOYSA-N 422.413 1.701 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1291224585 BKSKVLIUSMHRCK-OAHLLOKOSA-N 419.507 1.103 30 10 HDEE N#Cc1cn(CCC(=O)NCc2ccc(CN3CCCCCC3)cc2)c(=O)nc1O 1292203572 DEBKFGFORJPUMR-UHFFFAOYSA-N 409.490 1.903 30 10 HDEE Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 1298427364 USIVAACHMCYSRC-IUODEOHRSA-N 424.295 1.716 30 10 HDEE C#CCCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1300375969 DHLKZSVLNRZLLN-JOCHJYFZSA-N 415.538 1.840 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1300454979 CWNVMXDXEQOJDD-SSEXGKCCSA-N 424.530 1.655 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301198044 WCLKYZRCUNZWFY-ULQDDVLXSA-N 405.499 1.999 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301229175 IVSWKFKQLRTXRX-AWEZNQCLSA-N 402.524 1.903 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1301262502 VWHNHDPJPIXEKF-UHFFFAOYSA-N 412.538 1.919 30 10 HDEE COc1ncc(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1C#N 1303461161 WECDEGLPLSBECM-CQSZACIVSA-N 424.479 1.325 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1305248077 ALJWQOMQHKIUFE-ZHRRBRCNSA-N 424.505 1.448 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccnn1COC 1309853927 ILGWGUQKUKENOG-UHFFFAOYSA-N 412.512 1.510 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCOC)CCOC1 1314120157 JWVFVAAQXWTUPW-VQTJNVASSA-N 407.515 1.723 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC 1316187300 UNQIAMZTRBAWBS-CYBMUJFWSA-N 402.455 1.183 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(OC)CCC1 1316297275 JDTVYNWCHQRMCT-BBWFWOEESA-N 405.499 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1358891138 ZQDGZLAKSRGXOS-CVEARBPZSA-N 412.519 1.688 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358947784 KTVPUYANWYKTAM-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1359020570 ILVKNJLYBXJBBP-UHFFFAOYSA-N 418.457 1.812 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359075660 BGZIYCSCGUVQAY-RYUDHWBXSA-N 411.304 1.040 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359299998 RBGRGGRPUWQBJP-ROUUACIJSA-N 413.526 1.821 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1359342822 GALAQIFFCLPKGJ-CVEARBPZSA-N 414.597 1.962 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359662523 BJKXLOAZVBIHIK-FUHIMQAGSA-N 406.506 1.581 30 10 HDEE C#CCN(C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 1439605290 UGUBTHHZXVEBOQ-UHFFFAOYSA-N 419.547 1.186 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1443536242 KVXIPZMAKRFRGV-JMOCTVHBSA-N 418.494 1.666 30 10 HDEE COCCN(CC(=O)OC)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1443971396 UIVOVDNZWRUDOV-UHFFFAOYSA-N 410.268 1.405 30 10 HDEE Cc1nc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1-c1cnn(C)c1 1450065207 CYFQUPQNNFZSNE-UHFFFAOYSA-N 410.459 1.579 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](COC)C2CCOCC2)s1 1453315101 CFXKFLPHIWYAPC-HNNXBMFYSA-N 402.538 1.313 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CO1 1456678807 XKOQGILVGSIQPJ-AWEZNQCLSA-N 424.479 1.159 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1CCc1ccccc1 1459181525 BRAHNVGPBATVCY-UHFFFAOYSA-N 420.469 1.418 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2cccc(C#CCO)c2)cc1 1463729439 WRURAYQIWNGGAE-UHFFFAOYSA-N 400.500 1.991 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)NCC1CCN(CC#N)CC1 1465128008 LIQPGHQREIQFFX-SFHVURJKSA-N 401.511 1.869 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCS(=O)(=O)N2CCCC2)C1 1469546117 PNVBHEIRZMUNPJ-LJQANCHMSA-N 404.536 1.801 30 10 HDEE C#C[C@@H](NC(=O)N1CCOC[C@@H]1CNC(=O)NC)c1ccc(Br)cc1 1470663695 QSHQCHQUTQXPKA-LSDHHAIUSA-N 409.284 1.463 30 10 HDEE Cn1c(O)nnc1CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1471155384 BPOAQYRXEVKHHJ-OLQVQODUSA-N 423.264 1.833 30 10 HDEE C[C@@]1(C(F)(F)F)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1471271945 YNXDDZFZGSRLAI-HNNXBMFYSA-N 405.398 1.672 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CNS(C)(=O)=O)cc1 1471343203 XHNFSVGARVQUNX-UHFFFAOYSA-N 423.516 1.452 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CCO[C@@H](C#N)C3)c3nccn32)C1 1471474780 MTAAEXWZZWUOJR-UONOGXRCSA-N 402.455 1.208 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CCC(=O)OC)C2)s1 1471680880 KBNHRRPVAZIXLR-AWEZNQCLSA-N 414.549 1.947 30 10 HDEE CN1CCO[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1472182065 HBIMTRJIMVHCLK-PRJMDXOYSA-N 410.261 1.473 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)[C@H]1C[C@@H]1C 1476642066 UYWJADALLFKNLA-MLZJRGSSSA-N 416.503 1.850 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1503773323 RESIQLJBYYMWTQ-AEFFLSMTSA-N 410.478 1.195 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1507516336 KNCXIRJUMPMNQM-FTRWYGJKSA-N 419.551 1.644 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1507519558 SLAQAVGYKFQPAA-IERDGZPVSA-N 403.527 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1507669749 QYUXAZJJNGWMLN-FQEVSTJZSA-N 417.513 1.969 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CN(CC(C)C)CCO1 1507709347 VMULMSXEFYUWBK-FQEVSTJZSA-N 412.538 1.783 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1507731375 GYEXGMLCONWHAL-LEWJYISDSA-N 408.550 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC=C)CC1 1507735719 FWZLJQPILXRWMX-JOCHJYFZSA-N 415.538 1.862 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2cnnn2)CC1 1507880285 JORCCZCZXZFIFE-IBGZPJMESA-N 402.503 1.552 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1507971092 QKNZDLYBJOBLAC-HXUWFJFHSA-N 404.515 1.905 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507985471 FJUSEGQZHYBMKR-LJQANCHMSA-N 406.508 1.337 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508042476 LIBHJWAQOYTKFR-GDBMZVCRSA-N 414.897 1.762 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508080839 DXOGQESKNDUZGN-YCRPNKLZSA-N 415.469 1.771 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)C1 1508123578 NASVVRDAFLQFJJ-KBPBESRZSA-N 416.448 1.505 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1515311884 DIKUDYWFSIMUJJ-UHFFFAOYSA-N 410.526 1.647 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(F)c1 1519162278 CVIAOQRMGWTSEN-MRXNPFEDSA-N 404.421 1.922 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1529591803 COJMAPLSAVAAKM-APWZRJJASA-N 407.474 1.568 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539190815 RWIHECKTWPCDNX-FQEVSTJZSA-N 402.520 1.072 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1539201217 YQRDTJJQDNDACH-SJLPKXTDSA-N 403.527 1.515 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1539216341 QOSYNQZLGICIBG-OAHLLOKOSA-N 418.498 1.644 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1C1OCCO1 1539291637 UFGYWAXWHPIVDX-UHFFFAOYSA-N 421.501 1.973 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539453124 CVOMUNYRJBJHRR-IBGZPJMESA-N 423.565 1.572 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1539758298 JXORUJKXTXYEQS-INIZCTEOSA-N 404.515 1.050 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cn2ccsc2n1 1540189255 MZHYPBCGYNPJQS-UHFFFAOYSA-N 403.512 1.813 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 1540470874 HRLLCCYSRLWBHI-JOCHJYFZSA-N 407.518 1.843 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540865856 UWJIIDGNUXALQQ-OAQYLSRUSA-N 407.478 1.081 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1543554157 ZZXMFBOJTSQUPC-UHFFFAOYSA-N 420.878 1.247 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCSC1 1556092403 BZZIWLIMGUSWAU-VQTKLETLSA-N 423.535 1.938 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCCN2C 1556314483 LTELHYYBNNYOOI-ZDUSSCGKSA-N 400.460 1.692 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(c3nccs3)CC2)c1 1556383469 RNCCNPQTDHMOQG-UHFFFAOYSA-N 408.480 1.978 30 10 HDEE CCCN1CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557648854 HSVBRENEMCLAFQ-RDJZCZTQSA-N 406.552 1.740 30 10 HDEE N#Cc1cc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c([N+](=O)[O-])s1 1559170173 BIJXOFXKTSNRSV-UHFFFAOYSA-N 413.403 1.483 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 1563113733 RKCZRJMAYUCVND-AREMUKBSSA-N 416.525 1.124 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)(C)C 1565630416 ZUKFNGDAUDRXFJ-UVTIVQHFSA-N 408.499 1.959 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cc(C#N)ccc3F)ncnc1-2 1565641939 OJMKPYRWILHFCT-UHFFFAOYSA-N 418.230 1.352 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3nccn3C)CC2)c1 1566629967 TXOATXUJKDZYDM-IBGZPJMESA-N 415.515 1.803 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)C2)c1 1586078329 BPMPBPPNMGUBFG-UHFFFAOYSA-N 408.842 1.935 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1587759781 ZNQIUPLGQFYRMQ-IBGZPJMESA-N 414.554 1.581 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587889263 WVXSJLQQKFGYPW-UHFFFAOYSA-N 421.498 1.491 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN(C)CCOC)CC1 1588884603 GPDCLKDPDBFOMV-UHFFFAOYSA-N 404.559 1.120 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCC2)CC1 1588930205 PNQMXQDHYJIFCD-SFHVURJKSA-N 414.554 1.232 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589403524 AFKSBBBDPSPEDZ-RYUDHWBXSA-N 405.318 1.314 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1593689649 CCKZOTUCNHFAPM-UZLBHIALSA-N 407.515 1.393 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1593690091 IOBMUDSZROQIJO-UHFFFAOYSA-N 416.526 1.213 30 10 HDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NC(C)(C)CNS(N)(=O)=O)cc1 1593936774 ZXRQCIAANCIQQH-UHFFFAOYSA-N 402.476 1.961 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C2CC2)CC1 1594192752 KYPQTEFCHGIWKM-HUUCEWRRSA-N 410.588 1.773 30 10 HDEE CCO[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCOC1 1595533051 IKNBZIBUULAFBY-IFXJQAMLSA-N 415.469 1.956 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1595608775 XMLMMXGQKJQFJT-ZMMAXQRCSA-N 419.526 1.452 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cnnn2)C1 1595688808 OXGWFCRNYHGEDC-GOSISDBHSA-N 410.482 1.812 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)COCCO2)C1 1595745639 UQYXMXCEBNGYNF-GHTZIAJQSA-N 416.526 1.727 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)OC 1613623807 FGGNXRMYBKVSQB-SFHVURJKSA-N 412.494 1.537 30 10 HDEE C#CCCC1(CCC(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)N=N1 1615612214 DMMGVLUWMIHLQL-QGZVFWFLSA-N 410.540 1.080 30 10 HDEE CCCc1noc2nc(CC)cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c12 1616336141 LBWPFBABSNYIQA-HXPMCKFVSA-N 402.476 1.748 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)cc1Cl 1617125239 KQGLOXWFNPQCFY-LBPRGKRZSA-N 410.821 1.802 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1=O 1618479418 DZBKFFFIKIIUSQ-SFHVURJKSA-N 410.478 1.291 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1619989370 FPQYUCIKPKMMIV-QFBILLFUSA-N 410.494 1.166 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1620656215 GTYZHDNOZZLDTL-CABCVRRESA-N 403.545 1.776 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1 1623122850 HDXUERPXOVZVNG-QGZVFWFLSA-N 404.536 1.963 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1625885991 ZUGNCHAFJQVHOY-WCVJEAGWSA-N 413.540 1.665 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1628251516 KNGJIXSRIOHFLS-SZNDQCEHSA-N 416.478 1.997 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CC(=O)OCC)c1)c1cc[nH]n1 1628607891 IFSSVBBGNGUHCV-UHFFFAOYSA-N 402.407 1.438 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1629300833 BFMDDDQFCNJOMU-UHFFFAOYSA-N 415.500 1.119 30 10 HDEE Cc1ccc(N2N=C(Br)C[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034138 HIFDZVZSZRIZGP-HNNXBMFYSA-N 418.295 1.867 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1630127635 KMBCOHQTKRKIIT-RGYTYGDFSA-N 417.307 1.882 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1631921448 VEYUYJHZCMCRAQ-RHSMWYFYSA-N 411.384 1.066 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)C1 1634108659 NRWMXIXRXOIIDS-HRCADAONSA-N 419.526 1.692 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635416015 XXXQLPQHKWHIRU-DZGCQCFKSA-N 419.532 1.785 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(F)c3)CCCC2)CC1 1636479776 GXEBBDJZHMGEAV-UHFFFAOYSA-N 411.474 1.388 30 10 HDEE COC(=O)[C@H](CCF)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1639730815 SHXFGZKHNAEDPV-AWEZNQCLSA-N 413.471 1.303 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCCNC(=O)C4CC4)CC3)n[nH]2)cc1 1639986285 WHCFXZWSTGUSAM-UHFFFAOYSA-N 406.490 1.903 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1640187153 VBRYIRSJTNLTLP-INIZCTEOSA-N 421.494 1.164 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1640925363 GIRMQSCGIVKULZ-ZWKOTPCHSA-N 419.503 1.991 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1640953578 OBUYTBFCJHNZKP-HNNXBMFYSA-N 402.472 1.288 30 10 HDEE Cc1ccc(NC(=O)Cn2c(C(F)(F)F)ccc(C#N)c2=O)cc1S(N)(=O)=O 1641370847 DZKFWXDFQGIDIK-UHFFFAOYSA-N 414.365 1.333 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1643543458 SJOIPDDGEBTDOK-RHSMWYFYSA-N 411.480 1.581 30 10 HDEE C[C@H](C(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1645863784 SAIOZDHZHFYILU-HUUCEWRRSA-N 418.498 1.633 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1646117559 RAZPRBYODFBJNF-CQSZACIVSA-N 424.479 1.078 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(Br)c2I)C1 1648358548 YAOLEAXSPFPAPN-UHFFFAOYSA-N 406.017 1.874 30 10 HDEE COCCN(CC1CCN(C)CC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1648561275 SDKSYFXZKQVALV-UHFFFAOYSA-N 411.499 1.553 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CNC(=O)c3ccccc32)c(=O)c1C#N 1648750432 SECQMEVYJAUPJK-AWEZNQCLSA-N 415.247 1.697 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CC3)C(F)(F)C4(F)F)CC2)o1 1654127557 PQBFPKJTHXXRMB-UHFFFAOYSA-N 415.391 1.870 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC2(CCN(CC(=O)NC3(C#N)CCC3)CC2)CO1 1660428161 MMPVZLMCQCQIDX-INIZCTEOSA-N 406.527 1.945 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1660786355 IHIYBPARHKAWLL-HNNXBMFYSA-N 420.514 1.982 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)cc1 1662047729 UNEUQTSDWDPGSB-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cn1 1664953253 XMIWEVLCYJKLPH-UHFFFAOYSA-N 422.532 1.169 30 10 HDEE C#CC[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1677791340 MKQGUGJOUDWMSJ-ROUUACIJSA-N 405.520 1.699 30 10 HDEE C=CC[C@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccncc1 1679026503 KBZGRCJTJDDQLC-ASPXRTSYSA-N 421.519 1.897 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(CCO)(CCO)CC3)C2=O)cc1 1682021427 GLQBPEBZNZEUBK-IBGZPJMESA-N 414.506 1.216 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc4c(c3)OC(F)(F)O4)CC2)c1C#N 1682214312 OQSXQXGUZWBPCC-UHFFFAOYSA-N 418.404 1.954 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)NCc3ccc(C#N)cn3)O2)C1 1682910779 VPPVWHLSXLBYNO-INIZCTEOSA-N 401.467 1.921 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCCCC2)CC1 1690124377 KFBZWFBVRGTOQL-HXUWFJFHSA-N 400.571 1.803 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccco2)N(C)C)CC1 1690128730 IWAAYKKDWTVDSF-HXUWFJFHSA-N 419.533 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)CC 1690201246 BPPKCQIQESQSSY-HXUWFJFHSA-N 417.535 1.885 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1690247102 ZXIABBVGSBOEHG-INMHGKMJSA-N 418.498 1.099 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1690308184 DYFCDVFQLIEIJU-UHFFFAOYSA-N 413.526 1.863 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690449935 VFYRADBQXSUWOD-FQEVSTJZSA-N 402.499 1.901 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)cc(C)c2C1 1690659002 GRDPITCFHKDVPN-UHFFFAOYSA-N 414.485 1.729 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(C)c2)C1 1690714770 UQSIJIXZEBKERC-BZSNNMDCSA-N 402.499 1.565 30 10 HDEE C[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1693808259 QGXIEGRBXGXAIC-ORQRPPJRSA-N 400.483 1.686 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1697045003 IPLHQQIMSQNNRW-QFIPXVFZSA-N 422.489 1.684 30 10 HDEE COCCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1698220201 UBFXLPWNGIBSIU-LJQANCHMSA-N 405.478 1.635 30 10 HDEE C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1702946555 OKTMSNYHNYNEBD-ZBRFXRBCSA-N 403.523 1.794 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1705508004 HDOCCCOFFBLUQT-UHFFFAOYSA-N 413.526 1.838 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1705546346 IXHVPOFXZIURIH-UHFFFAOYSA-N 412.313 1.326 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1705547974 WBBGLMPVSBUBPA-UHFFFAOYSA-N 400.450 1.331 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705572129 RIQSWRQLBMINTH-SFHVURJKSA-N 420.510 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H](C)N1CCOCC1 1705575281 FIJYXWINDOLIHF-SFHVURJKSA-N 423.517 1.756 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705736761 BVCGRRPNUKRPQN-WOJBJXKFSA-N 418.586 1.591 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705751131 AVCJESAGHWDYDA-QGZVFWFLSA-N 415.929 1.835 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1712577440 UNASPJSUZIKRQB-HOTGVXAUSA-N 420.514 1.037 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cnnn2C)c1 1722307642 SABGHMSFOZOGCF-UHFFFAOYSA-N 408.466 1.048 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1722335287 ANPAADRGJGXYHV-AWEZNQCLSA-N 400.433 1.774 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1722344382 XANUYYSAXSFIBK-UHFFFAOYSA-N 421.299 1.354 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722371273 ILJLNOOPMPKLHV-FUHWJXTLSA-N 407.584 1.588 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1722405109 JFXBGAUPLVUFTH-RXVVDRJESA-N 405.543 1.499 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(N2CCCC2)CCOCC1 1722429028 MGIGNPHQERGDCJ-IBGZPJMESA-N 417.554 1.513 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ncccc2N(C)C)CC1 1722434943 BMACOZZXVULFSX-UHFFFAOYSA-N 402.506 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C)n(C)c2=O)CC1 1722445211 UJRFMTYOAFCYGE-INIZCTEOSA-N 424.549 1.813 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722492217 DMUGKJSRGIKFGO-POAQFYNOSA-N 404.559 1.604 30 10 HDEE C=CCCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722618504 JFNDVWLLYIJTKT-UHFFFAOYSA-N 402.543 1.178 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1722694169 MZYSNGQJWKDASB-GOSISDBHSA-N 417.477 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OC)C1 1722694760 HGPDIBXODKNKIT-MRXNPFEDSA-N 413.478 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722725684 QKMIDOHZYMSZSY-UHFFFAOYSA-N 416.507 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(F)(F)CC1 1722726648 DNDHQYVKAPVMJF-UHFFFAOYSA-N 400.455 1.515 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cs1 1725319890 PUSVVZNCAYLMSH-LJQANCHMSA-N 411.491 1.849 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)n1 1726137327 GUTKNTZTWZFING-GOSISDBHSA-N 409.498 1.235 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1729690229 MTKGLCTVEWGDQR-IBGZPJMESA-N 420.473 1.527 30 10 HDEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1730642011 HOHKADWMCYCRIB-SUMWQHHRSA-N 414.507 1.147 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)C[C@H]1OC 1730988656 FTMVBLGQANMHBS-KDURUIRLSA-N 407.478 1.757 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740586749 MAROCXMHHTVGMP-GOSISDBHSA-N 422.489 1.840 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1740590342 GXNBNPGCEKHVQU-IRXDYDNUSA-N 411.510 1.593 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N1CCOCC1 1740607099 DIDFFMNTQMKPSE-UHFFFAOYSA-N 419.489 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CC(=O)N1CCOCC1 1740645717 RKMOMUSCLDYOLB-UHFFFAOYSA-N 423.542 1.810 30 10 HDEE C#CCSCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1740717342 PUIQVFHPGVNEKR-CQSZACIVSA-N 411.528 1.951 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740735909 AQDKJAKDWUEMHE-UONOGXRCSA-N 411.348 1.998 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740745360 SKJPHZAYAQAMKR-ZDUSSCGKSA-N 421.361 1.779 30 10 HDEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740901208 KGRHDSPOGCXNNO-UHFFFAOYSA-N 408.499 1.570 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740959635 BHJSZBNMKMYZPU-HNNXBMFYSA-N 403.531 1.209 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1740962815 PMDOBRCYMMGCKY-CQSZACIVSA-N 414.514 1.107 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCC)nc1)[C@@H]1CCS(=O)(=O)C1 1748805776 WBBPGEZFRZNDRF-QGZVFWFLSA-N 403.508 1.445 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1748905260 AUWCQHSWTIQYKK-KRWDZBQOSA-N 410.588 1.470 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOCCN(C)C)CC1 1748986640 FGJRYNUSXSBOCN-UHFFFAOYSA-N 421.549 1.760 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749222200 CIBSUHAMZQKPNI-KRWDZBQOSA-N 401.515 1.624 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749500027 SRVWAZLAVJABBJ-INIZCTEOSA-N 407.544 1.043 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1749944589 YWTIIBPHNOFMBV-ROUUACIJSA-N 420.558 1.710 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1760180425 FFMMQXHFGHFEEC-CQSZACIVSA-N 413.425 1.675 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760185717 BRTBRSKSQIFEJG-ZWKOTPCHSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1760205948 NPNSYCQHXGOESQ-VQIMIIECSA-N 412.515 1.355 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1 1760210613 UQSCOVDYBSBPQA-MRXNPFEDSA-N 417.510 1.733 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@H]2CCCCO2)CC1 1760261994 XTLKKZANJRXZNJ-LJQANCHMSA-N 414.554 1.505 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](COC)OC)CC1 1760263524 FNLJWFBEPKTCHX-GUDVDZBRSA-N 419.570 1.613 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CCSC 1760521299 PCFNBSGCLOQJMG-CYBMUJFWSA-N 420.539 1.886 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)CC1 1761547045 QOMZOYVVOXZKJA-QGZVFWFLSA-N 416.526 1.726 30 10 HDEE C[C@@H]1CCCCN1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1762866779 VILCYWBXYVNREG-SQNIBIBYSA-N 415.542 1.613 30 10 HDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1767250708 OSAQIHXEYUQYFK-UHFFFAOYSA-N 407.482 1.756 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1)OC 1769237255 FUEQHXKNTZZAJS-ZWKOTPCHSA-N 410.478 1.289 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1772660549 QBVMZKVJYKVBNR-INIZCTEOSA-N 424.548 1.169 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC[C@@H]1CN(C)C(=O)CO1 1850225458 IQIWTXOYILIYLC-PMACEKPBSA-N 404.507 1.369 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)c1cn(CCN3C(=O)c4ccccc4C3=O)nn1)CC2 1850895760 VQEABBWKELTHAA-AWEZNQCLSA-N 404.430 1.340 30 10 HDEE COc1nc(C)c(I)c(C)c1C(=O)N1CCO[C@@H](C#N)C1 1850965226 QYFNCNMLMHFROO-JTQLQIEISA-N 401.204 1.676 30 10 HDEE C=CCN(C(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@@H]1CCN(C)C1=O 1852784181 HVKFSVFLCMNTQD-GOSISDBHSA-N 414.462 1.692 30 10 HDEE COc1ccc(N(C(=O)CCC(=O)N2CCN(C)CC2)C(=S)N=CN(C)C)cc1 1852800296 KDVOKTSTGILQGH-UHFFFAOYSA-N 419.551 1.457 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1snc(N2CCOCC2)c1C#N 1852804899 HBNCVLGMARDBFJ-CYBMUJFWSA-N 403.508 1.605 30 10 HDEE Cn1cc(C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)nn1 1853054653 BPFGRNXYPHXKIA-UHFFFAOYSA-N 415.457 1.901 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](N4CCC(C#N)CC4)C3=O)nn2)n1 1853789560 JZAUULGSNPRCEY-SFHVURJKSA-N 407.478 1.646 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(OC)c(OC)c2)C1=O 1854211969 YQUFTAZRLPXSOX-HOTGVXAUSA-N 401.463 1.164 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CCN([C@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854940351 BFWSJMGTLVWUKS-YJBOKZPZSA-N 401.511 1.661 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1855868339 ZCKSTIOJDYFZCV-SFHVURJKSA-N 417.531 1.851 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(CC(=O)N3CCCCC3)CC2=O)c1 1856298976 IBIVKIAKSZQUED-UHFFFAOYSA-N 402.882 1.703 30 10 HDEE Cc1cnn(CCN2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)c1 1856408626 OEKUQJPMRIJFCE-FQEVSTJZSA-N 406.490 1.122 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3CC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)c2c1 1856552861 LXDMWJFMLRQOGA-HZPDHXFCSA-N 408.458 1.656 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccnc(OCC)c2)C1=O 1856739179 AOVDOSHRHHSJCF-IRXDYDNUSA-N 400.479 1.330 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2nc(C)n3ccccc23)C1=O 1856739576 FEJGXBIEUAUKLD-ROUUACIJSA-N 409.490 1.493 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cnc4ccccn4c3=O)C1)CC2 1857207710 RTEIYTAGNDCABM-HOTGVXAUSA-N 405.458 1.309 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3ccccc3n2)C1)[C@H]1CCN(C)C1=O 1857236718 LFWLNGRHOIWTDL-UZLBHIALSA-N 406.486 1.942 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccnc2OCC)C1)[C@H]1CCN(C)C1=O 1857264491 NWBOGRVOMYRYOF-WBVHZDCISA-N 400.479 1.188 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)NCCN3CCOCC3)n3ccccc23)cc1 1858241796 FKKFRCDODCOKCY-UHFFFAOYSA-N 418.457 1.520 30 10 HDEE C=CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861507633 KHOYTMIVMWSZSK-CQSZACIVSA-N 421.453 1.912 30 10 HDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933414 GIPVSSIBEXYFEA-RDTXWAMCSA-N 420.535 1.269 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1C[C@H]1CCCO1 1870357973 SPGOCEAXYKOJCE-LJQANCHMSA-N 419.522 1.079 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN(C)CCO 1870651587 FWTZORLTMZRDGR-UHFFFAOYSA-N 401.463 1.485 30 10 HDEE COc1cc2c(cc1OC)N1CC(=O)C(c3nc(O)c4ccccc4n3)=C1NC2=O 1872730810 POURIAVBAOBHNB-UHFFFAOYSA-N 404.382 1.854 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1872952366 QWSLGKVYGMWNPJ-MRXNPFEDSA-N 413.474 1.352 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(C)nc3C(F)F)CC2)CC1 1889303294 GNCGOJOGNDVGGU-UHFFFAOYSA-N 423.508 1.620 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)cc2)CC1 1890281979 MRJFUTPXSAIQPY-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)C2)c1 1890594066 UDTDTZZJGWCZQB-MRXNPFEDSA-N 412.396 1.983 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCNC(=O)OC(C)(C)C 1900393183 HGQJNZDKDFYTOB-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE C#CCn1ncc(NCCNC(=O)OCc2ccccc2)c(Br)c1=O 1959294470 COHCZTXVUMEVRC-UHFFFAOYSA-N 405.252 1.977 30 10 HDEE CC(C)CN(CCC#N)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1964838815 FKJFYYXAKXRHMY-HNNXBMFYSA-N 401.529 1.809 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010406754 YNUKKVZTUOLWHF-UPJWGTAASA-N 423.319 1.306 30 10 HDEE C#CCN([C@H]1CCOC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023795 VQPKQZFZFKJCOE-LIRRHRJNSA-N 408.451 1.065 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2054409095 YNTQFCUHMLXOSK-SQNIBIBYSA-N 409.508 1.785 30 10 HDEE Cn1ncc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1Br 2074368309 RCLBLXGIFGVHAJ-DGCLKSJQSA-N 413.320 1.627 30 10 HDEE CN(Cc1sccc1C#CCN)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161951651 QEMGJMUNHAMJNF-UHFFFAOYSA-N 405.545 1.636 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174778967 DGFFVOCBFAHIJG-GJZGRUSLSA-N 401.529 1.920 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2174781088 BQYDBLHALYMPEK-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE C[C@@H](NC(=O)C(C)(C)S(C)(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186622979 FHYMHBSZHYNHDT-SNVBAGLBSA-N 402.347 1.443 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247828978 QLJCBXCAWKAHEW-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2247845457 RAISXUZLCFKNKR-KBPBESRZSA-N 420.319 1.505 30 10 HDEE Cn1cc(C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247916599 AQDSZRXLMXLIKS-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2COC[C@H]1CC(=NO)C2 2278842630 UXCFQJSJZIKNMC-HUUCEWRRSA-N 421.475 1.086 30 10 HDEE CO[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H]1O 2281973835 CDTOYDMKHCKQAM-ZMLRMANQSA-N 401.721 1.969 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CC2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282315497 OTODMGSRPUUOEE-GFCCVEGCSA-N 400.375 1.632 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2282325014 YEXPHRLFCHJVHX-INIZCTEOSA-N 423.340 1.820 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(Cl)CC1(C)C 2282335702 SXMLAOAWIMUIPW-MRXNPFEDSA-N 403.741 1.405 30 10 HDEE CN([C@@H](CO)CC1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282341816 XXORRSKXDBXXBZ-CQSZACIVSA-N 401.359 1.829 30 10 HDEE CCOC(C)(C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502324 JKVOPNBKTDNWJT-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H](F)C2CNC2)OC1(C)C 2282506312 QLABBFXRUNZZAU-CYBMUJFWSA-N 404.338 1.024 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CCO)CCC1 2282833524 IEHBFUKIQUFQOF-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE C[C@@H]1CNC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853399 CFVYBNQXHQOKGV-STQMWFEESA-N 400.375 1.571 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1CCNCC1 2282867391 YDRFJOWNNQVLGL-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2286864741 ZFPRDBHWUJMDLB-CHWSQXEVSA-N 400.375 1.775 30 10 HDEE CN(C)c1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 2322614458 FYXDSAHGFHLMGO-CQSZACIVSA-N 409.899 1.768 30 10 HDEE COC1(C#C[C@@H](N)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362769865 BPCXJLDKJUDKHY-CABCVRRESA-N 400.541 1.699 30 10 HDEE CCN[C@@H](C#CC1(OC)CCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363602283 TXNYPLXLSUUCOY-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200886 CGVLIZFRNMIRIH-IFXJQAMLSA-N 401.525 1.780 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2365203116 HRPXNZHVRXCQKA-JKSUJKDBSA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2365206953 KGMZPDUDWHSHKH-BEFAXECRSA-N 402.557 1.553 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCC(NC(=O)OC(C)(C)C)CC1 2367818604 NESGOUFQBLRAPF-XAUUPUKJSA-N 400.541 1.353 30 10 HDEE CCS(=O)(=O)[C@H]1CSCCN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368849412 NETNPWFVVIACTN-AWEZNQCLSA-N 418.415 1.752 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H](O)[C@@H]1C(F)(F)F)C(F)(F)F 2370262990 AGHYUADPDLHSLH-KCRUCZTKSA-N 404.229 1.900 30 10 HDEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2cn(C)nc2C)n1 20424053 JANFFOWRVVOLSI-AWQFTUOYSA-N 414.495 1.710 30 10 HDEE C=CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OC)c(CC)c2c(=O)[nH]1)C1CC1 36207322 WZLJWULLRWXDQT-ZDUSSCGKSA-N 421.519 1.862 30 10 HDEE N#Cc1cc(I)c(OC[C@H](O)CNC2CC2)c([N+](=O)[O-])c1 43414895 XYDINKDGBYEKMA-SNVBAGLBSA-N 403.176 1.563 30 10 HDEE COc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1OC 59310859 FEXJJZPVNNZDCO-CNHKJKLMSA-N 416.467 1.732 30 10 HDEE CCc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443865 LHNNLPYKBWJJPS-CVEARBPZSA-N 420.473 1.258 30 10 HDEE Cn1cccc1[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442199673 JRXIQKNZDCZXJN-LJQANCHMSA-N 417.473 2.229 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(-c3cccc(F)c3)no2)CC1 466449405 RCMYEMCNYPHZNA-CQSZACIVSA-N 416.457 1.566 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 469524894 GHDSJIPNFUXBDD-QGZVFWFLSA-N 415.519 1.552 30 10 HDEE N#Cc1ccc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cn2)cc1F 479020151 GPXSSIXFDDERJR-UHFFFAOYSA-N 409.464 1.851 30 10 HDEE Cc1ncc(S(=O)(=O)NCCNC(=O)c2cccc(Br)c2)cc1C#N 489298587 XSGVYNKORACZLR-UHFFFAOYSA-N 423.292 1.733 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C[C@H]3CCCCN3C)CC2)c1 500513748 NYFHPEBZQNVWPR-LJQANCHMSA-N 420.579 1.393 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2C)c1=O 502039766 KEBNZNPYCZBJNE-UHFFFAOYSA-N 421.526 1.216 30 10 HDEE CN(CCC#N)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 522780207 DUTQHKWYZXGOOW-CQSZACIVSA-N 400.298 1.974 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(c2cccnn2)CC1 524612783 DKFIIWORCXHOFV-UHFFFAOYSA-N 408.462 1.813 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 527009994 KWBKLSZYKYYZOI-HZPDHXFCSA-N 404.467 1.640 30 10 HDEE CN(CCN1CCCC1=O)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 527137502 PFQGHSQMVDACEF-UHFFFAOYSA-N 414.853 1.417 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 533125500 LPSSKCOEOZALTH-AWEZNQCLSA-N 413.521 1.020 30 10 HDEE Cc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cccc1N(C)C 538377104 GCPCFXDEBPFISJ-CQSZACIVSA-N 407.478 1.399 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)CC2)n1 546172460 RZWLSNXUVCBVCI-UHFFFAOYSA-N 401.430 1.200 30 10 HDEE CCOC(=O)C[C@@H](O)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 555559882 YRWDICMXDQARMM-JKSUJKDBSA-N 424.295 1.472 30 10 HDEE N#Cc1c(NC(=O)CCN2CCn3nnc(CO)c3C2)sc2c1CCCCC2 562477590 DTJONUIBSVQFSD-UHFFFAOYSA-N 400.508 1.817 30 10 HDEE N#Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C(F)(F)F)c1 571132058 VUBDUVKNDOSPJG-CVEARBPZSA-N 403.426 1.164 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCCSC)c1=O 611078495 YKPDNQBZQUWLOG-UHFFFAOYSA-N 416.572 1.752 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1 613344434 GYFHIKYGNFPKMB-AWEZNQCLSA-N 400.416 1.629 30 10 HDEE C#CCN(C(=O)COc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 729333033 IOWACJMVIDPDIJ-CYBMUJFWSA-N 405.394 1.655 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccccc1C 729671581 MNYVCRIXAYUCOB-UHFFFAOYSA-N 415.478 1.104 30 10 HDEE CCN(Cc1ccc(OC)cc1OC)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465162 DAEFTSNLJGYKQQ-VHEBQXMUSA-N 402.451 1.762 30 10 HDEE N#C[C@@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CCN1C1CC1 732647585 HNLUMKROBIKTEG-CQSZACIVSA-N 419.279 1.373 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732677329 YHUJDTORRMGFAM-KRWDZBQOSA-N 405.524 1.255 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c(C(F)(F)F)c1 740531876 GXWOOGBZYNVPKM-YOGCLGLASA-N 416.377 1.624 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 744384108 IJJFYHMAQYPWPI-GASCZTMLSA-N 408.907 1.847 30 10 HDEE COc1ccc(Br)cc1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 746183196 GMWZRKPAKKEOFH-WUKNDPDISA-N 408.252 1.990 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751686969 KWJORSRJFJDMSQ-MSOLQXFVSA-N 414.531 1.456 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccsc2)c1=O 758083173 KANPKMBULQQGOV-UHFFFAOYSA-N 406.488 1.999 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 759875705 WLGHWKQLDWIPCD-HNNXBMFYSA-N 421.519 1.838 30 10 HDEE C[C@@H](C#N)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 770940500 BUGICDWUJSRUHV-NSHDSACASA-N 417.281 1.786 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)cn1 772278712 UDEWVGJJUKVWSL-UHFFFAOYSA-N 419.510 1.283 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774245986 GDDHAIVXNHFWTC-DFQSSKMNSA-N 403.548 1.871 30 10 HDEE COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1C#N 779535701 DEPHXNHFNRQRGS-KUHUBIRLSA-N 417.487 1.219 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(N)cccc1I 780279990 ZCIYQWXBWWINFQ-MRVPVSSYSA-N 417.203 1.431 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(N3CCOCC3)n2)n1 789212320 HBRPFYZPVHJMMH-UHFFFAOYSA-N 412.494 1.106 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccsc2)C1 790741355 HEFWROYPYMOIDN-CHWSQXEVSA-N 409.537 1.620 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)CCCN1C(=O)OC(C)(C)C 790847502 XJRYBBZYICRNCO-BEFAXECRSA-N 415.556 1.872 30 10 HDEE Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 791029269 AJEGDSALNODZOR-RGEXLXHISA-N 400.446 1.595 30 10 HDEE COC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1OC(C)C 799252869 MRWUXJCKZIXKOP-OAHLLOKOSA-N 414.462 1.398 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 805104379 VNQZXCCAZNPJBG-MRXNPFEDSA-N 402.472 1.684 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 805784551 OPGSUQGVMVZGMR-PKOBYXMFSA-N 403.490 1.979 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccn3c(I)cnc23)CC1 807922477 RIKOXANTEAKMEB-UHFFFAOYSA-N 423.214 1.137 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(F)cc1 812749170 GEOAVYBCVVFNKI-GOSISDBHSA-N 418.446 1.771 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N[C@@H](C#N)c3ccc(F)cc3)cc2S1(=O)=O 918006586 YMSBPXCKXURMKZ-INIZCTEOSA-N 417.418 1.611 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cncc(Br)c1 920796911 VGRGSGBIJOCHPW-SNVBAGLBSA-N 410.249 1.988 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1125313851 KOWVYVHJOHBXFV-UHFFFAOYSA-N 405.867 1.368 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc3nc(C)oc23)C1=O 1128296754 CCMWFNZDCNXPST-UHFFFAOYSA-N 421.207 1.814 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 1130753383 GBUZKKAOBJOLTL-HZPDHXFCSA-N 406.446 1.702 30 10 HDEE C[C@]1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1131309382 LGJDADMOXYHDDE-IFXJQAMLSA-N 403.460 1.386 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1135599510 LIRJUBXMVUJBEL-QGZVFWFLSA-N 406.527 1.060 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1136392993 ALBBLKFCBVJUSY-UZLBHIALSA-N 411.568 1.617 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN(C)S(=O)(=O)CC 1141656963 UZBVRCFSHVBZFV-CYBMUJFWSA-N 411.952 1.810 30 10 HDEE CON=CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202312 DINSOOUGTWARMV-LSDHHAIUSA-N 409.487 1.013 30 10 HDEE N#Cc1cn(CCC(=O)NC2(c3cccc(OC(F)(F)F)c3)CC2)c(=O)nc1O 1143690413 AFCFCLBYIFDUCG-UHFFFAOYSA-N 408.336 1.915 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3c[nH]c4nccc-4c3)ccn2)CC1 1144026684 JTJOCDDPDUVWSY-UHFFFAOYSA-N 416.485 1.474 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(CN=[S@@](C)(=O)N(C)C)CC2)cc1C#N 1159049663 BYLWKBWWKCSSFT-HHHXNRCGSA-N 411.553 1.807 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]2C1 1159299403 XSGCXIGUNIZUJK-LFGUQSLTSA-N 423.517 1.952 30 10 HDEE C[C@@H]1COCCN1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1160158782 MECBRJPTJNUIEJ-CQSZACIVSA-N 409.483 1.448 30 10 HDEE N#Cc1cccc(C2(NC(=O)Cc3ccc(S(N)(=O)=O)s3)CCOCC2)c1 1167197304 RWGLEUPCCNMILC-UHFFFAOYSA-N 405.501 1.632 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1175931606 FYILYGARSTYWRV-QGZVFWFLSA-N 421.339 1.847 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](O)CC3(CCOCC3)C2)cc1 1214688142 WWMCVEAJHTWFCF-KRWDZBQOSA-N 423.535 1.888 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1230908208 VSBPLFSQHYSCRC-LSDHHAIUSA-N 424.523 1.529 30 10 HDEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 1251399246 HLEDMMCRAKODRQ-UHFFFAOYSA-N 423.473 1.823 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1251572505 AFXQJSLCPPNYNZ-SNAWJCMRSA-N 400.483 1.866 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)c2)NC(=O)NC1=O 1251585724 FWFVWRPZXOUNGB-XXBNENTESA-N 417.469 1.898 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1251830660 KNKCMHMQPFMHGV-SIKLNZKXSA-N 401.507 1.833 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286334903 CRUSWNALBQMJDM-UHFFFAOYSA-N 410.526 1.563 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1286343456 VGNLROIYWBXQSL-DOTOQJQBSA-N 409.556 1.555 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@H](C)CC 1286444164 QYPVQBWQPVFDIG-CQSZACIVSA-N 400.483 1.770 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@H]2COCCO2)CC1 1286472614 KFRNAXILMRMDJI-NHCUHLMSSA-N 409.534 1.991 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCC(C)C)CC1 1286492081 GJZSSXFOZOAKNN-UHFFFAOYSA-N 414.554 1.803 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1286687208 HIGBTAAOTIEWEG-JKSUJKDBSA-N 409.556 1.499 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1289066171 LSXFZMCLRXPCNB-WIYYLYMNSA-N 424.461 1.263 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NCc3cncs3)c2)CC1 1292889881 NOUCCKNMFIUMDR-UHFFFAOYSA-N 411.531 1.653 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CCO2)c1 1295937418 SHVZFFIMZOCVBF-FQEVSTJZSA-N 421.453 1.842 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300370990 KQIQLMBNFZCADB-QGZVFWFLSA-N 421.567 1.608 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1300430421 MJCGQNGLJGTKQT-PBHICJAKSA-N 419.576 1.988 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301566726 PWOBJWHWBZDVER-FXAWDEMLSA-N 424.567 1.342 30 10 HDEE COCCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C[C@H]1C 1301900080 WKGXEDAGOYBJEJ-OAHLLOKOSA-N 410.482 1.348 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H]2CCN2C(=O)OC(C)(C)C)c1 1304034181 NGGRDYPKPLCPNJ-INIZCTEOSA-N 421.519 1.680 30 10 HDEE O=C(Cn1c(O)nnc1O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252969 TYFGKNNAMDVPAY-RFZPGFLSSA-N 410.221 1.319 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N(C)C 1314740944 HFBDEURRHDWNBV-QGZVFWFLSA-N 418.523 1.529 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 1314853193 YEYOTHXMBMKNDN-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CO[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1315214804 MQYTULBJWGTTSD-KBXCAEBGSA-N 412.494 1.988 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1=O 1316115850 ILXXQKBMVFQLFD-ZACQAIPSSA-N 404.515 1.405 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCC(F)F)CCO1 1316537594 DTGSONJKWGTNJB-CQSZACIVSA-N 421.404 1.727 30 10 HDEE C[C@@](O)(C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)C(F)(F)F 1320568145 DFOOQTBZHYSVLT-OMACXJQVSA-N 404.389 1.248 30 10 HDEE COc1ccc([C@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)NC(C)=O)cc1 1349457167 PHBMZHQOUBFTOV-KRWDZBQOSA-N 412.450 1.333 30 10 HDEE Cc1c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCN(C)C)cnn1CCC#N 1354578150 VFIWQNHEFUVGLP-HXUWFJFHSA-N 408.506 1.350 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1358913601 RYOCFAFFSVUVMA-MSOLQXFVSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1358955331 KBBMQDNKOCJJOO-INIZCTEOSA-N 416.551 1.538 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1359062513 KFJFVUHGYHIARL-XMSQKQJNSA-N 415.586 1.434 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1359133027 KGOYVWNHFSVQKK-INIZCTEOSA-N 407.540 1.903 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1359226067 VOOMBEHKSNUVCS-QGZVFWFLSA-N 401.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1359296882 XOOVKVGTHBVEDU-SFHVURJKSA-N 410.522 1.988 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1440869316 ZXFBXQXIPFCWSB-XJKSGUPXSA-N 421.461 1.511 30 10 HDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1461896021 DSJZAGSOFVBNFL-LBPRGKRZSA-N 416.297 1.240 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H]4CCCCN34)CC2)cc1 1464031836 JLUMALVBUFJMOQ-MJGOQNOKSA-N 402.520 1.408 30 10 HDEE C[C@H]1CCCCN1Cc1ccccc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1464154326 CSBPPTWKOXPSDS-INIZCTEOSA-N 409.490 1.901 30 10 HDEE COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1465872765 XSEPXCRSEXCEIY-UONOGXRCSA-N 414.462 1.496 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](OCCOC)C[C@@H](CO)C3)n[nH]2)c1C 1467652533 QYBBKEIWWYBMFU-SJORKVTESA-N 417.510 1.562 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n1 1470034020 VPBZSEFEMYEQEA-ICSRJNTNSA-N 406.490 1.982 30 10 HDEE COc1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)sc1S(N)(=O)=O 1470616919 ZJKCRBVCLIUSMP-UHFFFAOYSA-N 420.516 1.992 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](c4ncon4)C3)C2=O)cc1 1471968545 VNYBXJHFLDCODW-HOCLYGCPSA-N 408.418 1.552 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1473788363 JEZNJOOGCZZXBM-GOSISDBHSA-N 415.559 1.353 30 10 HDEE Cc1cc(NC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ncc1C#N 1476943996 GHWOMBNGDFLPHT-UHFFFAOYSA-N 410.453 1.980 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H](C)O1 1499699773 HACYFBWRYPISIA-WMLDXEAASA-N 403.508 1.865 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1507564922 ZHUJYRZDYMFJAM-MSOLQXFVSA-N 421.567 1.651 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1507635941 WLNZLWKSZVQQQH-KRWDZBQOSA-N 415.519 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507669147 HRGDIKCAQCIXAW-RTBURBONSA-N 423.492 1.728 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1507712029 ASALEIWZCHHWGL-QGZVFWFLSA-N 410.540 1.431 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COC)C1 1507748621 LVQCMCWQGLQKAW-MRXNPFEDSA-N 424.534 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CC1)N(C)C 1507773798 WWOKEVDQLOXRQO-SQGPQFPESA-N 405.568 1.513 30 10 HDEE C=C(Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1507850883 CRWXTMNVQGZNLJ-SFHVURJKSA-N 417.535 1.577 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1507867708 AYHYZSWJLSWKRS-CQSZACIVSA-N 415.903 1.593 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(N(C)C)nc2)CC1 1507884207 FVPXITCEUOKTTR-KRWDZBQOSA-N 416.551 1.846 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1507936801 GYNJMZOOAVQJIR-UTKZUKDTSA-N 418.542 1.843 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1507961581 CJVNTRHAGRBLGY-SFHVURJKSA-N 424.509 1.738 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CC2)CC1 1508167495 LRQFVZZCBSZELY-UHFFFAOYSA-N 404.584 1.852 30 10 HDEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1508694842 SBXNSTIQIDVYFO-KRWDZBQOSA-N 409.494 1.846 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1509950817 FIMHEANNVWMDDP-CQSZACIVSA-N 417.539 1.892 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1512518998 ZSJCFIYXQWKRPW-UWXDHFKOSA-N 400.483 1.748 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1=O 1517415993 OEJLREXOURPBHE-GOSISDBHSA-N 410.478 1.291 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1517508156 ZUDNWUSWDDBUJF-HUUCEWRRSA-N 416.482 1.477 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1518870925 BDRZPWDGASMTSN-CQSZACIVSA-N 404.421 1.671 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C(=O)OC(C)(C)C)nn2C)n1 1525225558 QUFZHZRTCDRICC-UHFFFAOYSA-N 401.467 1.494 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1530219549 GQJKRMVOQOBICL-LJQANCHMSA-N 407.536 1.568 30 10 HDEE COCCCn1cc(C)c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 1533483566 BLVGGZUSHLJDSU-UHFFFAOYSA-N 405.480 1.672 30 10 HDEE C#CCC1(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCOCC1 1538243574 FZQGGZXQCBEUDX-IBGZPJMESA-N 404.532 1.917 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1539215422 BPIBZRCTGJQILN-HNNXBMFYSA-N 414.516 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCn1cncn1 1539305152 RJXZBFWNEAPILC-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)N1CCOCC1 1539406290 XZPAQSVUBJEFQK-SFHVURJKSA-N 413.522 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1539556359 BRGZUXQIBPESIR-QFBILLFUSA-N 421.567 1.793 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccs2)CC1 1539848200 NCVSDJCXHSPCJD-CQSZACIVSA-N 424.552 1.272 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1540171064 VELMLKKCAVCLIY-KRWDZBQOSA-N 423.583 1.469 30 10 HDEE COC[C@H]1CN(S(=O)(=O)N(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402428 IOLVSGPEXUIDJK-CQSZACIVSA-N 406.430 1.520 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1554528976 VXEWVKVLAMULSI-SFHVURJKSA-N 424.505 1.978 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OCC 1556644097 ZYNCBBAYKCDFNQ-ZDUSSCGKSA-N 423.516 1.926 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C1CCOCC1 1557576710 BLRJHNKBTGNGIB-CHUNWDLHSA-N 412.408 1.517 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)C1 1563413063 FKPASCSEQNYKGD-PZJWPPBQSA-N 400.523 1.465 30 10 HDEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1564622840 FUDADOPZMPOQHH-KXBFYZLASA-N 424.523 1.133 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCCN(O)C3=O)cc2)C1 1569676250 QIMMMEWJLOFUPI-JKIFEVAISA-N 409.508 1.463 30 10 HDEE C#CCN1CCC(C(=O)NCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C)CC1 1573998323 YDZACCKZLSWFDR-FWQIABLWSA-N 413.562 1.356 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O)C1CCOCC1 1586730815 WLUQRQSUKOWGIQ-ROUUACIJSA-N 400.500 1.949 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)c1 1587213084 KWMBWVNFUZIELX-CRAIPNDOSA-N 407.488 1.572 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1587305227 FNXRWBKHJFCCND-HUUCEWRRSA-N 411.499 1.516 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1587759782 ZNQIUPLGQFYRMQ-LJQANCHMSA-N 414.554 1.581 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1 1588119885 AQUGFNVZXHHWJN-UHFFFAOYSA-N 405.483 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN(C(C)=O)C1 1588660777 ZWQQQDLZGCSTFI-FQEVSTJZSA-N 410.522 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nccs2)CC1 1588750873 GNAGIJABMFMLAN-LJQANCHMSA-N 402.524 1.190 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCOC[C@@H]2CCCO2)CC1 1588801210 ZRZMRBQHMWNRNV-FQEVSTJZSA-N 410.522 1.681 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1588985124 OLCCEDDCGYTIEU-ULQDDVLXSA-N 421.567 1.616 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1594992497 JWYUGPAAFVPGNP-UHFFFAOYSA-N 411.554 1.401 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)(C)C)C1 1595665382 SXXCAIYKJJQQEM-INIZCTEOSA-N 418.542 1.458 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CC(N)=O)CC1 1595777529 PNRRVUMKTDYDAO-UHFFFAOYSA-N 417.535 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C#N)C1 1596359109 UOYWYXGAHCAFSS-VQHPVUNQSA-N 404.511 1.900 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1598020670 FOACIXLZCGEWGD-CHWSQXEVSA-N 411.462 1.711 30 10 HDEE CC(C)Cc1nnc(N2CCSC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1606689886 PDBYMORCIYYNRE-DNZUHHBVSA-N 404.540 1.945 30 10 HDEE C[C@@H](CC(=O)NCCCCc1ccnc(N)c1)/N=C1/NS(=O)(=O)c2ccccc21 1608285419 WLAIPZHADZZRSJ-AWEZNQCLSA-N 415.519 1.620 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)co1 1611528868 ZBUOHUCPLPSZCF-AWEZNQCLSA-N 402.432 1.016 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2=O)cc1C 1616337403 YFAHGKBMWAVCHN-XGHQBKJUSA-N 415.515 1.443 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC 1617267883 GWXAUGWVPBYDLZ-AWEZNQCLSA-N 418.523 1.212 30 10 HDEE COC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1619691456 CPRVFLJMGJHCKU-KBPBESRZSA-N 422.511 1.264 30 10 HDEE CN(C)C(=O)/C=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1626104319 SHBYUSKCIBGEJS-BUNAONMUSA-N 406.508 1.863 30 10 HDEE Cc1ccc(C(=O)N2CCC(S(N)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1626941542 CJDUYUULTFGRET-UHFFFAOYSA-N 408.329 1.187 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@](C)(CO)OC 1628095497 HIVHAWLMBGMUTE-MRXNPFEDSA-N 401.257 1.612 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 1629731425 OLEGHTHFIVURIQ-KSZLIROESA-N 403.479 1.503 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1631740791 MQKFMWBUJKCUJG-IUODEOHRSA-N 414.325 1.697 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1632862362 DBMGPLKZEYCVSH-SFHVURJKSA-N 422.570 1.906 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC3(NC(=O)OC(C)(C)C)CC3)CC2)c1C#N 1633055958 NEJGYASZOMFMGY-UHFFFAOYSA-N 402.499 1.696 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)nc1=N 1633936353 VYUJXNIUXYPZAC-CQSZACIVSA-N 405.503 1.521 30 10 HDEE COc1ccccc1[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)OC(C)C 1634497643 CCDCTKPPIFBOMH-CVAIRZPRSA-N 421.519 1.741 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)co1 1635697840 PRKPTLPLUDHNDX-UGSOOPFHSA-N 409.464 1.315 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 1635994221 ZAVBMROGPKOBER-UHFFFAOYSA-N 402.907 1.971 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1C[C@@H]1CCCO1 1636309012 NKFSDPIAEOTMKN-UAGQMJEPSA-N 407.492 1.022 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 1641575346 YWSHJKPLWHVUDQ-CYBMUJFWSA-N 403.416 1.428 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 1644129572 SNCLEWKYFFZMEE-IBPUIZCCSA-N 406.577 1.442 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1OCCO1)C(=O)OC 1644144809 AQLSTUHDCQPUSQ-VXGBXAGGSA-N 406.863 1.443 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 1651877763 IQUYPWMHPIQQEK-UHFFFAOYSA-N 401.536 1.849 30 10 HDEE C=CC[C@@H]1CCCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 1654177897 NWFMHNDREWIUJJ-MRXNPFEDSA-N 400.566 1.999 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(OC)c(S(=O)(=O)NCc3ccccn3)c2)C1 1654796067 PCXDVGAOXOJKFN-UHFFFAOYSA-N 403.435 1.366 30 10 HDEE C[C@](CO)(Cc1ccc(Br)cc1)NCC(=O)N(CCC#N)CCC#N 1655736657 QSUREFQGWKKOLP-GOSISDBHSA-N 407.312 1.988 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1665329850 RNHGADYWWXUAAQ-RBUKOAKNSA-N 408.520 1.993 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3nc(-c4ccncc4)cs3)C[C@H]1CS(=O)(=O)C2 1675773604 ISICOGRGPWXNJZ-GUYCJALGSA-N 403.489 1.285 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1681943145 BMTCQYLXZYEDIB-PKOBYXMFSA-N 407.536 1.702 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1684304893 UIBVSNQVSBHZBH-HOTGVXAUSA-N 423.510 1.466 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCOC(F)(F)C(F)(F)F)CC2)c1C#N 1684977830 YIMSLYZDENCDNV-UHFFFAOYSA-N 410.347 1.604 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1689847800 IJRRQZSWJAOMPU-CYBMUJFWSA-N 410.434 1.373 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689982658 ROLMUZPQBYLAKR-SFHVURJKSA-N 413.503 1.480 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1689991115 WCDPQJQQTDTJGR-HOTGVXAUSA-N 420.560 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)Nc1ccccc1 1690045527 MDYURLZOKAINLS-SFHVURJKSA-N 404.474 1.721 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)C(C)C 1690098090 VHAWNJQXNHJRMC-UHFFFAOYSA-N 404.902 1.852 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1nncn1-c1ccccc1 1690107915 HYRYAURBUPDKMW-GOSISDBHSA-N 407.478 1.845 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2c(F)cccc2F)CC1 1690120304 POPKUJLVAJSQEQ-UHFFFAOYSA-N 411.460 1.955 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1690159615 GYGGCTSXKHALLU-KRWDZBQOSA-N 415.519 1.271 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690169509 FIKLVRUOPNQYBP-GOSISDBHSA-N 405.549 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1690188988 RWSOXMRIFJRABD-IWMITWMQSA-N 410.478 1.457 30 10 HDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690227532 BFFAYYNIKOSFSA-CYBMUJFWSA-N 423.315 1.927 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1690299607 YZTJEWXPWJMGNK-MSOLQXFVSA-N 403.527 1.970 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690309616 FOKCMNWHBOMWAW-IERDGZPVSA-N 419.526 1.596 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1690527810 UAKXDIWLWITKQE-KXBFYZLASA-N 408.524 1.920 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1)C1CC1 1690536713 DEHDNIFZGFQLIC-HZPDHXFCSA-N 410.588 1.775 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690659567 WRJUWDKISKCVMP-KURKYZTESA-N 404.559 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690668232 XNEAHFKWUGCMSE-UHFFFAOYSA-N 422.493 1.261 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(N)=O)c2)C1 1690684627 JPVNQBRKAMMWTF-KRWDZBQOSA-N 412.494 1.345 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCCS1 1692774460 HASWMDMLNGRQFF-SUMWQHHRSA-N 412.585 1.914 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC(F)F 1692780039 BJVREUJKQOHOJW-WBMJQRKESA-N 420.486 1.648 30 10 HDEE CC/C=C/Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695004134 FJBJNZGGRVZCFN-ONEGZZNKSA-N 420.521 1.960 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCSC(F)(F)F 1698170694 MVVVGKUEMDYVII-NWDGAFQWSA-N 409.434 1.984 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1698485814 NEKDPPCDWVATHZ-ZWKOTPCHSA-N 410.478 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](C)N(C)C 1705572900 SEOVNSCZOYQXKC-INIZCTEOSA-N 412.925 1.884 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1705607974 YNHAWTAFRWSATJ-UHFFFAOYSA-N 400.508 1.606 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1COCCO1 1705624462 CAFPARKCERPSMQ-MRXNPFEDSA-N 400.435 1.175 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1705639743 VPUVMZGPQGXJOV-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)NCCC)CC1 1705642852 JOIPOAGHEYYGOW-UHFFFAOYSA-N 424.549 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(=O)NCC 1705667570 WGHZGVSRKPYCJW-IFXJQAMLSA-N 424.571 1.043 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1705705557 IWEORZDRTHXICH-VQIMIIECSA-N 419.551 1.726 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705726396 JUXFKTWEOPDMEF-GOSISDBHSA-N 409.494 1.434 30 10 HDEE C=CCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1705893691 OJWZCAMJXUUZGD-SFHVURJKSA-N 413.544 1.024 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cscn2)CC1 1705897035 DUZOKCKSCATYSH-HNNXBMFYSA-N 403.556 1.873 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705908090 HMNXVFRTGOXVLP-OAQYLSRUSA-N 416.526 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(Cn3ccnn3)CC2)nnc1C(C)(C)C 1705938584 CYYLKMLOPDMLIQ-UHFFFAOYSA-N 421.571 1.685 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708487264 SGYNIZYSGORKDX-QTTXMIHLSA-N 415.498 1.020 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1711316953 UTHWDHMJUJDBIB-OXJNMPFZSA-N 400.458 1.764 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)C[C@H]1O 1711459888 LEDJJBQXNPOYBA-FGTMMUONSA-N 411.462 1.356 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C)O1 1712286098 TVCDKFKBYGWLTE-FXCLAUTBSA-N 424.505 1.535 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CCO1 1712883987 DHVDYPDTNSPLAN-DZGCQCFKSA-N 423.445 1.235 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1722346486 XZOJYVSKPORQSK-CQSZACIVSA-N 415.523 1.316 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1722355215 HORZGLDATABBFQ-UHFFFAOYSA-N 413.503 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC(=O)N1CCOCC1 1722424380 KXXVLSFUEIITRZ-UHFFFAOYSA-N 401.442 1.029 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1722429460 MKTVUBPVXCUJPP-RBUKOAKNSA-N 416.570 1.623 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2cccs2)CC1 1722439554 GYLYJINXKKIWLD-JOCHJYFZSA-N 422.558 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2C[C@H]2C)CC1 1722440735 HYWHOHIMITXKIS-WBVHZDCISA-N 414.554 1.818 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@H](C)C1 1722453418 SGLQQYDCFIRLIZ-OAHLLOKOSA-N 400.508 1.907 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1722592653 XJNMLZGVGWTELC-GJZGRUSLSA-N 411.572 1.601 30 10 HDEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1722637914 YYWSDTMNPTWBKR-UHFFFAOYSA-N 402.524 1.998 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@H](C)C(=O)NC 1722693707 XZALRBBUOKKDNS-ZDUSSCGKSA-N 404.902 1.719 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1=O 1730785628 GLMANGOCUBPKAI-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1conc1COC 1730846342 ZQIMPSRCJFVRCT-ACJLOTCBSA-N 408.434 1.627 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCO2)CCO1 1731187733 XFFHLINQPHNBNO-HUUCEWRRSA-N 414.491 1.343 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1740539483 SXFOHGULJWJIMM-JQVVWYNYSA-N 419.570 1.745 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)(F)F 1740603914 KFYMNGKQZKNVDM-UHFFFAOYSA-N 411.384 1.710 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-c1cnn(C)c1 1740609070 HQFVFXKJKKPBTO-QGZVFWFLSA-N 424.530 1.698 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1740611094 UEWMMCDVXPFBKT-HNNXBMFYSA-N 409.537 1.099 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)cc2)CC1 1740694487 LCGZVULLBQLAKJ-FQEVSTJZSA-N 422.533 1.820 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCN(CC)S(C)(=O)=O)CC1 1740695003 ZTSOVCXHHYLAJT-UHFFFAOYSA-N 422.599 1.363 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN2CCOC(C)(C)C2)CC1 1740695428 QZULRWUCNJLUMA-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OC)C1 1740709237 DCZGQBVCDWALRN-OAHLLOKOSA-N 400.508 1.907 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740714932 OTFKKPCXWSEWPG-LSDHHAIUSA-N 407.565 1.964 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1740749793 FFPUHOOQVLMBEG-MAUKXSAKSA-N 416.526 1.209 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1740890754 IDMUGBFMJGOEFO-HNAYVOBHSA-N 407.540 1.808 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](OCC(C)C)C1 1740963325 HSAIUUJRFKMETQ-SFHVURJKSA-N 415.542 1.693 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CC(F)F)CC1 1740991050 MYAODEXHRNQNNW-UHFFFAOYSA-N 417.526 1.924 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)CC1COC(C)(C)OC1 1740991478 XLDPXEODLIUZQB-UHFFFAOYSA-N 412.556 1.982 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740995227 DUEMFPVFWHPLOV-KXBFYZLASA-N 409.556 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748662124 QGKZBSFIQZDGQZ-HIFRSBDPSA-N 409.416 1.456 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1748730201 JPRWEBINFICOQD-UHFFFAOYSA-N 402.543 1.552 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1748745128 LMZILOIAXPHMQS-UHFFFAOYSA-N 417.539 1.447 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1748747612 KPODXCDVBDGWDL-UHFFFAOYSA-N 419.489 1.415 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1748989688 BBOHOHXNQHSXAY-HPGBDJQBSA-N 407.584 1.475 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1748994465 IOGLMJFASGIFGU-FCHUYYIVSA-N 423.561 1.870 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749033657 LULDZGKWOHUSRM-UHFFFAOYSA-N 416.551 1.823 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1749118471 GPWUWVXDHJKOAG-HKUYNNGSSA-N 404.559 1.641 30 10 HDEE C=CCCOCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1749460742 GKBJSTJKUCIAOI-QGZVFWFLSA-N 418.586 1.957 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCc2ccco2)C1 1749714031 DPZFYFAYNKACRN-LJQANCHMSA-N 422.489 1.955 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1752322064 XRGQERKWTNRDSD-HUUCEWRRSA-N 418.523 1.322 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760143776 RCQQOTVWTMDNNO-UWJYYQICSA-N 401.511 1.702 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1760171489 MFFDAWNPTZAHFC-RTBURBONSA-N 408.506 1.372 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1760192180 FZCTZFDFSHSZQK-ZWKOTPCHSA-N 400.504 1.805 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CCCO1 1760198784 IYQUJVLSTAIPAC-OAQYLSRUSA-N 402.462 1.563 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1nc(C(F)(F)F)cs1 1760206804 NECOQAWJAKAOTL-UHFFFAOYSA-N 422.436 1.997 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)nc1OC 1760209160 WYJSDJBBOQNLLX-UHFFFAOYSA-N 410.478 1.340 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CC1(NC(=O)OC(C)(C)C)COC1 1760223667 YLVCQLHWVZBQCW-UHFFFAOYSA-N 417.510 1.571 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1760233026 HYQDGFXZVLEFRB-GOSISDBHSA-N 417.535 1.427 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1760233251 SMNCKDGXCDTBER-UHFFFAOYSA-N 402.462 1.433 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCOCC1 1760239044 USLCZTVXSGTFBY-FHWLQOOXSA-N 405.543 1.430 30 10 HDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760436324 POVJRFMXUIJNCO-UHFFFAOYSA-N 409.494 1.234 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760438186 ANWAKDRUOGNQNY-SJORKVTESA-N 417.558 1.232 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760509765 GUTVRJIOWILNIJ-SWLSCSKDSA-N 404.496 1.260 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccnc2)C1 1760534909 IPRUGMZGGXFIAP-RDJZCZTQSA-N 420.539 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@](O)(c2ccccc2F)C1 1760554395 CMSPKFKVSMBWKO-LJQANCHMSA-N 408.499 1.678 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)nn(C)c2C)n1 1762458016 DMTULJSXQSWFCT-KRWDZBQOSA-N 409.498 1.267 30 10 HDEE Cn1cc(-c2nnc(N3CCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1767457696 NOERVDYTFIZGJS-ZPHPHTNESA-N 410.482 1.585 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1767493123 GJYUBNMULJVENR-NRFANRHFSA-N 411.510 1.663 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CCC2)nnc1N1CCO[C@@H](C#N)C1 1768426887 ATXIWJKOVTWGOJ-ROUUACIJSA-N 415.542 1.217 30 10 HDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1770313222 QZHXGCHDWZZPIH-WMLDXEAASA-N 419.507 1.698 30 10 HDEE CS(=O)(=O)CCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770333487 PZIONVJICPQCSV-UHFFFAOYSA-N 416.507 1.200 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1=O 1771136215 MMHJKCDPBCHYSW-GOSISDBHSA-N 424.505 1.538 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2)C1 1772566437 GBSRTXXZOGTXMU-IAGOWNOFSA-N 410.478 1.109 30 10 HDEE CN(C(=O)c1cncc(I)c1)C1CN(c2nccnc2C#N)C1 1849828310 CFDKHHPYGRRPBU-UHFFFAOYSA-N 420.214 1.309 30 10 HDEE C=CCN1C[C@@H](C(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1=O 1850254153 REJZNYNIGIDWBJ-HNNXBMFYSA-N 424.436 1.460 30 10 HDEE N#CC1(COC(=O)C2CN(S(=O)(=O)C3CC3)C2)CC(OCc2ccccc2)C1 1850613664 OJHWWDJPJQSEEC-UHFFFAOYSA-N 404.488 1.843 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)CCCN3CCS(=O)(=O)CC3)CC2)n1 1850759732 ZDQOTFFACQJEHQ-UHFFFAOYSA-N 420.535 1.081 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)CCCN2CCS(=O)(=O)CC2)CC1 1850760465 SHIRLNDYEYOFHI-UHFFFAOYSA-N 420.535 1.081 30 10 HDEE CC(C)(C)[C@H](C(=O)Nc1c(C#N)cnn1CC(F)(F)F)N1CCS(=O)(=O)CC1 1851772236 KLBPYAWGEFPNDO-LBPRGKRZSA-N 421.445 1.401 30 10 HDEE Cc1cc(N(C(=O)CN2CCOCC2)c2n[nH]c(N=CN(C)C)c2C#N)ccc1F 1852017871 GFAJHAXQMPXIPJ-UHFFFAOYSA-N 413.457 1.947 30 10 HDEE Cc1[nH][nH]c(=NC(=O)c2cc3n(n2)CCN(Cc2ccccc2Cl)C3=O)c1C#N 1852169385 FFDWQHMGWUFFSE-UHFFFAOYSA-N 409.837 1.770 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1=O 1853828906 QHIDSGHZFWDFHB-ROUUACIJSA-N 419.909 1.955 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)[C@H]1C 1854311284 CMNPZZUCKHENPS-MRXNPFEDSA-N 405.520 1.333 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4cc(OC)ccc4C3)CC2=O)CC1=O 1854318881 KFXQZXVQPKEMMA-QFBILLFUSA-N 411.502 1.463 30 10 HDEE CCOCC(=O)N1CCCC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854371068 JABZSROBDJCNGI-IBGZPJMESA-N 414.506 1.988 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc3ncccc23)C(=O)C12CCCC2 1854402090 XODRZJKVMQHUIN-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)C4CC(=O)C4)C3=O)CC2)n1 1854422432 PEUMYAAUHPUASG-LJQANCHMSA-N 410.474 1.541 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3cnccn3)C2=O)CC1 1854743042 GPHBOVAYKOYKCB-SFHVURJKSA-N 405.462 1.087 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccccc3C(F)(F)F)CC2=O)CC1=O 1855917976 APUOZLANGAZXDP-OAHLLOKOSA-N 409.408 1.911 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCn1ccnc1 1856117945 ODQJPTFDILCGOC-UHFFFAOYSA-N 402.476 1.586 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235255 DSJFTKPLMNHDRK-RDJZCZTQSA-N 416.501 1.618 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2cccc(F)c2)C2(CCCCC2)C1=O 1856346883 ABQYKDWSJWIHAZ-UHFFFAOYSA-N 407.467 1.943 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1-c1cccnc1 1856519087 VSPZJDCZOJIEOU-FUHWJXTLSA-N 404.474 1.849 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857043816 YFWKMQVJRVTIOC-ZWKOTPCHSA-N 415.538 1.870 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C2CCN(C)CC2)C1=O 1857141179 BYLUKUZKFSONOS-AWEZNQCLSA-N 404.492 1.197 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)COC1(C)C 1857305033 BARURBRJCBGGIA-HOTGVXAUSA-N 420.510 1.721 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCC(N4CCCC4=O)CC3)C2=O)cc1 1857359647 NDXBXLCSNOKDCP-HXUWFJFHSA-N 408.502 1.705 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CSc2nccn2C)cc1=O 1870298855 NIPXSBPQVBYGPU-UHFFFAOYSA-N 400.504 1.899 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOC)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871620441 FQPVJRJAXVQBJK-UHFFFAOYSA-N 411.510 1.963 30 10 HDEE CN1C(=O)c2ccc(NC(=O)c3nonc3OCc3ccc(C#N)cc3)cc2C1=O 1872693125 NRVMDTSEJLHHGJ-UHFFFAOYSA-N 403.354 1.998 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(F)c2)CC1=O 1874273539 IHNCKTRLNXIPLJ-IKDHMPEHSA-N 418.498 1.991 30 10 HDEE C=C(Br)CS(=O)(=O)NC1(CN)CCN(Cc2ccccc2)CC1 1987442486 YRLWZWIOTYPIDP-UHFFFAOYSA-N 402.358 1.808 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010402037 LGOQYFGYGQBIBV-ZDUSSCGKSA-N 422.291 1.254 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)sc1C(=O)O 2162597263 BOTJXVOYCVMOHN-LLVKDONJSA-N 415.493 1.888 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174782082 MJSZZCHWKAQOPA-HNNXBMFYSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCOCC2)CC1(C)C 2174789128 MUKCRPPUJAEMHJ-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC(F)(F)C[C@@H]1CC(=O)O)C(F)(F)F 2200614478 KKGKSNWONZFSRD-CDUCUWFYSA-N 400.222 1.697 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247837229 PAULXMVIBZZTGJ-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2247933466 XOHSQMZJAHXXKN-BTYIYWSLSA-N 420.315 1.906 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250004050 GDFDBYQUDSWTRU-JKSUJKDBSA-N 422.331 1.888 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)c2)OC1(C)C 2255941632 ISXQYMSOTGOOSA-LBPRGKRZSA-N 415.342 1.431 30 10 HDEE C=CCC1(CN)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2259551694 LLZRMFHOXCEYIZ-UHFFFAOYSA-N 405.520 1.620 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2281998119 KQZOKUFNBJLQFE-NSHDSACASA-N 418.371 1.002 30 10 HDEE CCS(=O)(=O)[C@@H]1CCN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C1 2282061942 RCWRQJQHNVJFMC-LLVKDONJSA-N 400.331 1.092 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](C)N(C)C 2282305856 FDNFIGQOOGXEEF-GFCCVEGCSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315383 NAIITWRNULKPPE-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@@H]1CCSC1 2282334926 IBNUPHDSOOLSHM-VXGBXAGGSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)OC1(C)C 2282340669 IPNNUIFBALFBFE-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341474 SOEUCWANZALFHZ-SHZVTRLKSA-N 401.359 1.421 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2282399961 UICZCCOHWNFNNL-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)NCC[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282488460 BCFJKUNPTUPWKL-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502550 MVDQDAAHQBLOPT-JVLSTEMRSA-N 401.721 1.687 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CN(C)C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282825364 IXWLCYMLYBYKTP-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](N)CC(F)(F)C2)OC1(C)C 2282856294 QGZHKSYEHHGFAZ-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE CN(CCC1CNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877338 PZSLDSRYULZJKR-UHFFFAOYSA-N 400.375 1.418 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283101527 JENUFUBKVMETJS-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H]1C(=O)O 2284395935 RCLREKLJRVLNKX-MNOVXSKESA-N 401.315 1.497 30 10 HDEE COC(=O)NC[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2286118608 ACYSFMSLRNWVLK-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2342049294 SQTORJXVHLQGGS-CMKODMSKSA-N 421.515 1.744 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC[C@H]1NC(=O)OC(C)(C)C 2365213684 XWDHMNCYMHHRJT-CLCXKQKWSA-N 402.557 1.599 30 10 HDEE COc1[nH]c(=NCc2cnn(C)c2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365346342 RTBXEIUQKFMRLX-UHFFFAOYSA-N 423.120 1.919 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790199 GHRABZFPVORZJN-STQMWFEESA-N 415.537 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1 2367798536 RFKLCOZINJRPOU-RKVPGOIHSA-N 400.541 1.475 30 10 HDEE C#CCNC(=O)CN[C@@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376700688 AGYVEGRTPHVYFN-GFCCVEGCSA-N 424.114 1.912 30 10 HDEE C=CCOC(=O)C1=C(C)OC(=O)[C@]12C(C(=O)OCCOC)=C(N)Nc1ccccc12 20569122 XESLWQPLTPUKBO-NRFANRHFSA-N 414.414 1.270 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105285849 VFOUBFCTOPJCSO-UHFFFAOYSA-N 413.503 1.143 30 10 HDEE N/C(=N/O)[C@@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CCO1 236329838 CVVJYONRKSFCLD-JTQLQIEISA-N 407.062 1.799 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)c1 238866639 LXMDLHKGFQWPDQ-QGZVFWFLSA-N 424.482 1.631 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 410217274 GUWYRDGMSHUXNX-RDJZCZTQSA-N 423.514 1.247 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN[C@H]2CC3CCC2CC3)CC1 433055720 BKIUJBSTENIASP-TVPLGVNVSA-N 416.547 1.559 30 10 HDEE COC(=O)c1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1 460926783 HLKLPIYRBFNWKJ-UHFFFAOYSA-N 417.399 1.705 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCOCC2=O)CC1 468306869 FORRUMUVCFDTRU-MRXNPFEDSA-N 421.295 1.017 30 10 HDEE C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469065546 UWDJRWKBLHMQBE-OJRASUONSA-N 423.469 1.479 30 10 HDEE CNC(=O)Cn1cc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cn1 478447981 KVQSBBBKHNEOFZ-UHFFFAOYSA-N 400.414 1.715 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 487390321 KBANWYMELJAVBN-ZJUUUORDSA-N 421.397 1.312 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1nc(C(=O)OCC)cs1 501961633 OZYHCOLAYDCOGD-GOSISDBHSA-N 406.464 1.559 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 508999535 HEHGMFLKIKMODD-GOSISDBHSA-N 412.494 1.313 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 524382288 VQCOIBSOTDQWQZ-AWEZNQCLSA-N 415.475 1.766 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 533753527 QRZNXEABGIFKEP-HUUCEWRRSA-N 424.486 1.683 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 549692374 SEHQSWJXJYICBS-KRWDZBQOSA-N 423.525 1.654 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)Cc2ccc(C#N)cc2)CC3)CC1 555522619 XBTDHRZCTKRGSW-LJQANCHMSA-N 420.517 1.064 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 558167246 NCPYTNGIXAIFCN-SFHVURJKSA-N 408.524 1.530 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 559124581 WTAIEYPUYVUKFI-AZUAARDMSA-N 424.505 1.743 30 10 HDEE Cn1c(C(F)(F)F)nn(C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 585378682 PQBNNWPFCLVTPF-UHFFFAOYSA-N 415.397 1.498 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 604571599 LREZUPGMRWUNST-HNNXBMFYSA-N 422.507 1.866 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 610981657 FMHYQJUSCIFIEU-OAHLLOKOSA-N 421.519 1.807 30 10 HDEE Cc1c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cccc1S(N)(=O)=O 611080881 ZFAKQQAOFLSWTM-UHFFFAOYSA-N 415.475 1.342 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(Cc2ccccc2)c1=O 679755565 VXPOXJNCPHSBDJ-UHFFFAOYSA-N 418.522 1.954 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccc(F)cc1 726178613 NUYGICJVQQHXFM-UHFFFAOYSA-N 410.474 1.890 30 10 HDEE C=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730137412 FTORZERFTUSDEI-QGZVFWFLSA-N 417.535 1.830 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 731062136 ADENIYYUWCUZGX-LBPRGKRZSA-N 418.475 1.893 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 731233244 UQTMGBSGQIGOIY-LJQANCHMSA-N 417.494 1.360 30 10 HDEE CCCOc1ccc(C(=O)CCC(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908493 MYAYWDVJBURUDG-QGZVFWFLSA-N 420.487 1.404 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)ccc1OC 733276421 CYOWZPIXQGJQBF-DYLHUKMJSA-N 412.446 1.103 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H](C#N)c3ccc(F)cc3)C2=O)cc1 733622576 WBMMMTQVNHONME-DYESRHJHSA-N 410.405 1.982 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 740737185 DBIUUGAZBVWAJA-KRWDZBQOSA-N 422.551 1.296 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1Br 747250337 JJUBHOXDVSYSMQ-LLVKDONJSA-N 422.322 1.269 30 10 HDEE C=CC[C@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 756688137 YQPGEFWQUVJOML-DYVFJYSZSA-N 410.268 1.269 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC)cc1 766887241 AUAIRLVFBLABOT-UHFFFAOYSA-N 404.444 1.738 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]1CCCCS1(=O)=O 772403838 FLZYRFFCZWYZNC-RHSMWYFYSA-N 408.476 1.841 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 772931323 DQLCLBMYIISRAZ-GDBMZVCRSA-N 409.508 1.748 30 10 HDEE C#CCN(C(=O)N[C@@H](Cc1nccn1C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774236771 YQMPCHPPBZGUPB-ROUUACIJSA-N 400.504 1.536 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC)[C@H]1CCS(=O)(=O)C1 774248879 BOKSXMDIAUZOJR-DLBZAZTESA-N 406.504 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)C(=O)C1 777203047 FVMPUJWDLJQVJM-QGZVFWFLSA-N 413.478 1.637 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@H]2CCC(C)(C)O2)C1=O 777467533 MTBMQKVSAYWQRT-HUUCEWRRSA-N 418.519 1.811 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C)cc1 779319311 ZCXNXNQUQHVSMQ-AEFFLSMTSA-N 419.503 1.745 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 787402657 HHCXWESVCADBSI-HJIPDZNASA-N 416.450 1.733 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)c1 787743169 QSTYILPUAYQQBC-DJJJIMSYSA-N 416.455 1.179 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 788815603 QYRCWRFQSCPOOH-QGZVFWFLSA-N 410.474 1.553 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C[C@H]2CCCO2)C1=O 790747607 QGXDTNZMAGMMEB-CABCVRRESA-N 410.565 1.927 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccoc2)c1=O 794575932 CCIYXCOKRPOYKP-INIZCTEOSA-N 416.499 1.428 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)C1 797814655 AMUXKDBQHHTGTH-VHDGCEQUSA-N 421.523 1.702 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@@H](c4ccccn4)C3)n2)cc1 799279737 IYXUXAMJWUNLDQ-QGZVFWFLSA-N 401.430 1.548 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 812182194 DPAYRIPAVMQFSI-HNNXBMFYSA-N 420.514 1.489 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2CC(C)C)n1 812250584 OMUMYNBQZITNKN-GOSISDBHSA-N 402.499 1.505 30 10 HDEE N#Cc1ncccc1COC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 813167419 IWLPSHLIOZXODT-INIZCTEOSA-N 401.444 1.768 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)cc1 816694617 JSGMDLBCWVANNV-QGZVFWFLSA-N 403.460 1.540 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 920323079 ZGVRPMRAHFBCEO-LJQANCHMSA-N 411.483 1.738 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1 1125293609 ANAONKHJOFKYMU-QGZVFWFLSA-N 413.474 1.303 30 10 HDEE Cc1nsc(N2CCN(C(=O)/C=C/c3ccc(S(C)(=O)=O)o3)CC2)c1C#N 1129488627 VMYXZINOCHUZSK-HWKANZROSA-N 406.489 1.682 30 10 HDEE COc1ccc(CC(=O)N(C2CC2)[C@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 1130671340 GVRTZIWQSLCDBY-CQSZACIVSA-N 407.492 1.162 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CCO1 1134490132 LIRRZNXENLQEKX-CQSZACIVSA-N 405.245 1.746 30 10 HDEE C=CCc1cc(CNC(=O)CNC(=O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1136460584 HQMQAMGWZJMDMH-UHFFFAOYSA-N 421.494 1.689 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1136743364 PPNHVVFLHMFGPK-MOPGFXCFSA-N 424.586 1.759 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cs1 1139892529 SVGUKRFXGSNTSL-UHFFFAOYSA-N 415.500 1.951 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)CCCOC1 1141487184 VPSAZOJBRYHAEV-FQEVSTJZSA-N 403.483 1.803 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(C)C)C1=O 1148120574 RWRBTKOAMSQPID-CQSZACIVSA-N 422.482 1.067 30 10 HDEE N#C[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1157964213 UHYMDYCNGBHLJQ-CABCVRRESA-N 405.455 1.356 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C)N(CCO)C[C@@H]3C)ccc2c1=O 1162248501 KCLVMVLRKASJRK-KGLIPLIRSA-N 402.520 1.398 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3Cc4cccc(C#N)c4C3)CC2)cc1 1164209417 LBWAPFKQOCBGMF-UHFFFAOYSA-N 424.526 1.715 30 10 HDEE Cc1nc(=NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)n(-c2ccc(C#N)cc2)[nH]1 1182768203 FTSCIHPCCWJPCC-QGZVFWFLSA-N 419.367 1.382 30 10 HDEE COc1ccc(N2CCN(C[C@@H](O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1198242691 SBOJIXTZCVKVQR-NRFANRHFSA-N 415.534 1.516 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(Cn4cncn4)cc3)CC2)cn1 1229339771 ADVZTDJKPVVWGB-UHFFFAOYSA-N 402.462 1.625 30 10 HDEE CC(C)(CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1234023431 IEPHCALQADIEQV-INIZCTEOSA-N 406.508 1.566 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](CCN(C)C)c1cccnc1 1251170936 KDEDCIUMPDFGAI-FUHWJXTLSA-N 408.510 1.656 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286346983 FLVBXJDWKYXLOS-IAGOWNOFSA-N 414.510 1.700 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](C)N2CCOCC2)CC1 1286478994 NQUREDYXWIDFQY-NRFANRHFSA-N 422.577 1.653 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)COC1 1286581022 DGBWHZAYOMAYCD-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1286581256 HGIOWAMPKRZHMM-HOTGVXAUSA-N 411.572 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(F)(F)C1 1286784092 WFFRXVZSJNHIBC-UHFFFAOYSA-N 415.408 1.068 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccccc1 1286787027 APUCVKLFXBYJAL-WBVHZDCISA-N 417.535 1.680 30 10 HDEE Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1289609042 DIHOJMDRLPEKHY-HDRCJFCASA-N 412.450 1.598 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)s1 1290680858 CSICIMOCWLCOHT-JSGCOSHPSA-N 423.568 1.711 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)CCO1 1291224584 BKSKVLIUSMHRCK-HNNXBMFYSA-N 419.507 1.103 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1294180902 QCWOYJVVYQPAAH-MRXNPFEDSA-N 401.369 1.589 30 10 HDEE C=CCn1cc(C(=O)NC[C@H](CO)Cc2cc(Br)ccc2OC)nn1 1297953186 VLSJQXCAZYNGQM-GFCCVEGCSA-N 409.284 1.816 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1298857813 HCRAFQWVKSZTNO-HXUWFJFHSA-N 401.490 1.836 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1300008271 OKXVVSLKNRVAEC-YVWKXTFCSA-N 404.532 1.806 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCC)nc1 1300506212 PFRXOORICPEQFU-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCCC1 1300517259 ZNVULFOJHLMQBB-UHFFFAOYSA-N 406.446 1.972 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1300532562 XQJHHLGUTGIDPZ-FQEVSTJZSA-N 417.517 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCn1cnc2ccccc21 1300591556 SMQHCVWYYVDINL-UHFFFAOYSA-N 415.501 1.913 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)cc2OC)CC1 1300695818 KRAUYMOKGORFLJ-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1300699528 DXTXXPONVPMSDB-ROUUACIJSA-N 414.579 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccco2)CC1 1300716032 HWXRJNWKEMTWJV-MRXNPFEDSA-N 415.494 1.609 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)CC1 1301092237 SPOPTLRYDLNQRA-LJQANCHMSA-N 403.508 1.577 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CCO2)cc1 1301368320 AFRRGWVNRSKBIU-OALUTQOASA-N 400.456 1.595 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCN(C)C1 1301417911 YEVMIZUEJWDHJU-FQEVSTJZSA-N 416.482 1.559 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@@H](C)[C@@H]1C 1301589177 OQTSABCUGRVCET-SOUVJXGZSA-N 400.570 1.713 30 10 HDEE Cn1cc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c2cccnc21 1302608197 GENYRMAHOXQKEE-UHFFFAOYSA-N 411.487 1.361 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1303294559 NDNUQFRBDYRALC-SAABIXHNSA-N 419.547 1.755 30 10 HDEE Cc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1304552205 XDVKBAIWJULEJQ-LJQANCHMSA-N 420.514 1.559 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cccc(I)c2=O)c1 1307362578 TXYSLXRIEQJLMZ-UHFFFAOYSA-N 421.194 1.783 30 10 HDEE CS(=O)(=O)[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1309435463 AJDVHZXVAMXHDW-VIFPVBQESA-N 411.274 1.267 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 1312538951 NZNVAHKLOMVWMA-VEZWFGLTSA-N 418.519 1.719 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1313718726 CTZRZPBACAFLEL-JKIFEVAISA-N 415.539 1.061 30 10 HDEE COCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316041849 GMBHTYSLIDXJIA-HNNXBMFYSA-N 407.482 1.686 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CSCCS1 1316212755 XQMFPUGTLUTMLS-RBSFLKMASA-N 413.569 1.579 30 10 HDEE CSCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316456945 HXZODSVPSUKMDR-IRXDYDNUSA-N 417.583 1.939 30 10 HDEE C#CCCCCCC(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1345725595 OMQDMMNAWFZJSS-JRHPMUGDSA-N 402.535 1.805 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1358903793 JZKAFIDONZBDLK-INIZCTEOSA-N 407.540 1.331 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1358910983 HTVMSUQLZFPWKZ-GOSISDBHSA-N 418.505 1.626 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CC(F)(F)CO2)CC1 1359037590 PCJSRPQRXMQBKF-MRXNPFEDSA-N 422.505 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N(C)C)CC1 1359046043 BSGZIAUZVPYRFI-KRWDZBQOSA-N 409.538 1.180 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCOC2)CC1 1359055550 HIFDCOSHVMERBT-IRXDYDNUSA-N 403.552 1.849 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359151177 OMHOOJNXWCQXGX-BARDWOONSA-N 415.947 1.598 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359288216 MAYPOWZAQNEEIW-PXNSSMCTSA-N 409.538 1.439 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nnc(C)s2)C1 1359320402 QAVDDRIJPSXOGY-UONOGXRCSA-N 403.512 1.413 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)nc2)C1 1359323648 UFHMOIGQRJLTLQ-GOSISDBHSA-N 419.489 1.587 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359721779 FFAGKJYUHNPEJV-WBVHZDCISA-N 400.458 1.614 30 10 HDEE CN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCN(S(C)(=O)=O)C1 1436430278 IFMZDDZJPLAAKL-AWEZNQCLSA-N 400.298 1.356 30 10 HDEE CS(=O)(=O)CCN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 1443512160 BBRYVZBJZZPGJT-UHFFFAOYSA-N 414.325 1.560 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)C2(C#N)CCSCC2)CC1 1446610504 CTBWVELSKQQGDK-UHFFFAOYSA-N 402.520 1.815 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1447726566 FCIKIYKYFNVZMW-QZTJIDSGSA-N 423.535 1.091 30 10 HDEE C[C@@H](CN1CCOCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1448791622 FJKQOACOCJHINV-ZUHIPDPLSA-N 420.554 1.952 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1452755275 HZIDVWHOMZQRQH-OAHLLOKOSA-N 414.487 1.008 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1462661827 MRNCPBAEJSGANG-OAHLLOKOSA-N 422.507 1.618 30 10 HDEE Cc1cccc(NC(=O)CSCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1463165758 YSJHTSJJTRIKAM-KBXCAEBGSA-N 407.517 1.064 30 10 HDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@](O)(CC#N)C1 1469406354 SVEYYZSDAORQNJ-YJBOKZPZSA-N 406.464 1.323 30 10 HDEE COc1ccc(N2C[C@H](NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2=O)cc1 1470757255 GATBEQPNPSBVGO-VQIMIIECSA-N 421.457 1.930 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CCN(CCC#N)CC2)C1=O 1471237353 QSNDZJQENJDVGU-IBGZPJMESA-N 421.860 1.304 30 10 HDEE C=CCCn1cc(CN2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)nn1 1474416943 QKKKMHKLUUMILO-UHFFFAOYSA-N 418.523 1.352 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2ccc(F)cc2Cl)CC1 1475011837 SKOCZZAMBXAWSN-UHFFFAOYSA-N 401.891 1.066 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)OC)C(=O)OC 1475240325 TVTAGSMCFMTBMH-MRXNPFEDSA-N 407.444 1.649 30 10 HDEE C#CCCCCCC(=O)N(CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1490024812 BZEBFANGLVQJAV-YENHRIDLSA-N 402.535 1.805 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1507520012 WEHKMWURDAWZSX-AWEZNQCLSA-N 416.551 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1507679769 QKPISHZLAXSQQG-INIZCTEOSA-N 405.524 1.735 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1507698854 RTJNZUOUKOJJKH-INIZCTEOSA-N 418.519 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507732917 YXSCWEJNZHTSKB-ZWKOTPCHSA-N 402.543 1.090 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)CC 1507762651 XSAXKFIMWPQHRM-GDJIYFAZSA-N 400.508 1.686 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1nc(O)c2sccc2n1 1508136666 UMJQOTBYBSCGOW-UHFFFAOYSA-N 408.509 1.534 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1508167317 HPDKMWBSMCFTLI-XLIONFOSSA-N 423.583 1.954 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)c1 1519327971 RAGWPLMHNDRLOF-NVXWUHKLSA-N 403.487 1.097 30 10 HDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)nn1 1519444820 HBPCRYOYUAUYBK-HNNXBMFYSA-N 404.268 1.930 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2cnn(CCC#N)c2C)ccc1OC 1525138999 CRTJEUUBAIMPID-UHFFFAOYSA-N 421.479 1.291 30 10 HDEE COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)COc1cccc(Br)c1C#N 1534943700 DTCUMJCIUASYAD-BXUZGUMPSA-N 411.252 1.879 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c1 1536361492 SLRZZDQSSMHJFL-KRWDZBQOSA-N 417.512 1.872 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)CC2=O)cc1 1536867965 VNEUZVXQLUANLA-FUHWJXTLSA-N 401.488 1.337 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539097500 OVLXFYXWLQRIQO-CQSZACIVSA-N 421.299 1.400 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1539141304 FLARQDQBPMCOSH-NTLWEQJWSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1539223979 AVYPZSFNGSFFMG-DLBZAZTESA-N 412.531 1.622 30 10 HDEE C#CCSCC(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1539342282 OLZBEFCHGMSNTR-UHFFFAOYSA-N 403.476 1.666 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1539427300 ABGAGMPWXJZQAG-IEBWSBKVSA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@H](OC)C(F)(F)F)CC1 1539453179 GDRXYGCPROIEDZ-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[S@](=O)CC)CC1 1539473947 GATILXRCGANHGW-GDLZYMKVSA-N 413.547 1.680 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCCC)CC1 1539481347 LOTBRAATMNMWAW-IBGZPJMESA-N 417.554 1.955 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1539915494 BEPUZIMWYKGVJW-SJORKVTESA-N 423.583 1.887 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CCOC 1540072530 LYEILGHXSCIJAQ-OAQYLSRUSA-N 415.542 1.862 30 10 HDEE N#Cc1c(CCCNC(=O)C2=C3CCCN=C3NN2)nn(-c2ccc(F)cc2)c1N 1540832792 XPWHVOKQEFAHOM-UHFFFAOYSA-N 408.441 1.068 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCCC)C1 1540882163 CNZBXFGAWPWKQA-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1541800566 CAKGNWHPIUBHFH-CQSZACIVSA-N 421.498 1.762 30 10 HDEE Cn1cc(I)c(CNC(=O)c2ncc(C#N)cc2Cl)n1 1543617918 POSOOVJNPSNBDL-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccnn3-c3ccccn3)C2=O)cc1 1544186529 MVLQTUZYIDQTSK-MRXNPFEDSA-N 415.413 1.983 30 10 HDEE CCO[C@@]1(c2nnc(N3C[C@H](OC)[C@H](OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1547926773 BYAPAHQALIJHLR-QKLQHJQFSA-N 417.466 1.293 30 10 HDEE COCCNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CC1 1548371088 NJMRNSUDIDWBLT-QGZVFWFLSA-N 424.423 1.767 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCO[C@H](C)C1 1555556718 GWGFEWYPHFUZKQ-ZACQAIPSSA-N 404.515 1.801 30 10 HDEE C#C[C@@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556795928 LIZWQCWDGZLEGJ-HNNXBMFYSA-N 406.438 1.093 30 10 HDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cc2n(n1)CCCC2 1557277803 ZKGMDWMCOJPCNN-CQSZACIVSA-N 415.519 1.916 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1O 1557384560 RLGFOTZBLNJWLY-SFHVURJKSA-N 403.460 1.320 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2c3ccccc3OC[C@H]2CO)c1 1562006230 HIPTYNMYLILMTJ-DNVCBOLYSA-N 402.472 1.623 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1C#N 1565327642 YXSZPFLJSHCTAJ-UHFFFAOYSA-N 413.503 1.546 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2ccc(C(N)=O)cc2)CC1)C(=O)OC(C)(C)C 1565604221 VYNKUOQCVZGNJP-UHFFFAOYSA-N 414.506 1.300 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H]4CCC[C@H]4[C@H]3C(N)=O)C2)C1 1567686582 QBELXMLMSFTJQZ-DVNFVZLYSA-N 416.522 1.886 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1583612645 ZYUJJMIYTIAXQE-OAHLLOKOSA-N 416.411 1.837 30 10 HDEE N#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccn1 1585100678 ZLCSMBVHONPQBZ-UHFFFAOYSA-N 414.487 1.592 30 10 HDEE CCCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1Cc1ccccc1 1585295229 DJIRWQHEVYGDAK-UHFFFAOYSA-N 406.446 1.448 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1585972941 GWLMTRFZJZECQL-HUUCEWRRSA-N 400.541 1.917 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)N2CCCC2)CC1 1588848845 NWIZTRHZXQFQER-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCn2cc(C)cn2)CC1 1588913307 GXJBHAHFMBCTOR-UHFFFAOYSA-N 418.505 1.511 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1589096968 JFZWTKRVGQVCII-UHFFFAOYSA-N 405.568 1.672 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1)C1CC1 1595014394 ZHDTXEJFQYABIO-UHFFFAOYSA-N 407.540 1.494 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1596696216 UTKHFYBZWRKPND-DLBZAZTESA-N 410.434 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1611164890 FCRMPANJEPUYBB-HXUWFJFHSA-N 417.466 1.070 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1615448783 DWUPDNLIBAWSAR-DNVCBOLYSA-N 407.494 1.030 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCOC[C@H]3CCOC3)C2)C1 1615612482 KEKCJAJGPMRXHV-CLIJALBYSA-N 407.511 1.943 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1616185951 LYVGTSLVHOEZAQ-XLIONFOSSA-N 405.499 1.476 30 10 HDEE Cc1nn(C)c(N2CCN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)c1C#N 1617285397 VYUZBISQOJXPHE-UHFFFAOYSA-N 414.535 1.363 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC2CCC(C#N)CC2)C1 1617718278 VCEUYYNNFXWEGC-UYSNPLJNSA-N 413.540 1.857 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1618051868 IZAYKAMBQJKKGE-QOOYGPFJSA-N 418.473 1.840 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1618449600 POZYXUPZUBABGI-DLBZAZTESA-N 400.483 1.456 30 10 HDEE COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1619904272 CJXYEWYVUZOXHM-TZIWHRDSSA-N 416.522 1.533 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H]2COCCO2)CCO1 1620354959 FFINJEXOPQLDDE-ZWKOTPCHSA-N 401.442 1.542 30 10 HDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C 1624052974 KEMVBFPGIUIJPL-UHFFFAOYSA-N 409.508 1.260 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1625160622 KXVNIFRPOJYROX-MRXNPFEDSA-N 418.902 1.811 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 1626032935 OUJNWQIPRNHNLO-IBGZPJMESA-N 413.522 1.005 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OC)CCCCC2)s1 1626271357 ZCSBKUSRUIWVSG-UHFFFAOYSA-N 400.522 1.747 30 10 HDEE C[C@@H](Oc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626656163 SEMJXHPHNXTVSO-WQGACYEGSA-N 413.293 1.613 30 10 HDEE Cn1cc(CN2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)cn1 1627011844 AFAZDDKSYOIWNY-UHFFFAOYSA-N 402.296 1.941 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1627385803 QAOGRUICGGREKB-IBGZPJMESA-N 412.508 1.254 30 10 HDEE N#C[C@H]1COCCN1C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1629045340 AWSMTQNUTOLPAK-YCRPNKLZSA-N 421.453 1.637 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCN([C@@H](C)c2ccccc2)C1 1630869028 ONUCPDVTPKJREW-LPHOPBHVSA-N 409.490 1.895 30 10 HDEE C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCN1S(C)(=O)=O 1632908218 PRZYNGPEPVLCHR-LLVKDONJSA-N 416.297 1.192 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1636312562 BPUABNOMYYJNQU-KGYLQXTDSA-N 409.936 1.405 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@H]3CCCN(O)C3=O)o2)CC1 1637668048 UXVKMXOMMULREZ-ZDUSSCGKSA-N 408.455 1.899 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)CC)ccc1Br)C(=O)OC 1638832306 NELTZGNFFCVOAP-ZDUSSCGKSA-N 402.266 1.537 30 10 HDEE Cc1ccc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)cc1S(=O)(=O)NCC#N 1640137290 OLGFACIMMKTLRC-OAHLLOKOSA-N 403.464 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)NCCn2cnc(C#N)n2)C1 1640257435 SMSYTLIYZVQXSM-UHFFFAOYSA-N 412.450 1.709 30 10 HDEE C=CCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OCC 1640864106 PHJAOSYKNUYBIZ-QGZVFWFLSA-N 409.508 1.496 30 10 HDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1640954045 WKDLLTQXNGMYAF-UHFFFAOYSA-N 417.443 1.592 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)CC1 1641179433 WZZAXIFPMJTGOC-UHFFFAOYSA-N 404.492 1.456 30 10 HDEE CN1CCN(c2ccnc(NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)c2)CC1 1642532419 AXLQFQPWNWJDIX-UHFFFAOYSA-N 402.462 1.725 30 10 HDEE Cc1nn(C)c(N2CCN(Cc3ccc(S(=O)(=O)N(C)C)s3)CC2)c1C#N 1642751210 OUSXJMUIWRHDIZ-UHFFFAOYSA-N 408.553 1.234 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@H]2CNC(=O)NC)s1 1643283896 XVBZPKABUCAEFS-GFCCVEGCSA-N 418.972 1.995 30 10 HDEE N#CC1(C[C@H](O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)CCOCC1 1644297791 RFKUUJSWLUBQTB-NZQKXSOJSA-N 413.518 1.561 30 10 HDEE C=CC1(CC(=O)N2CCCN(CC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1644623205 VAPVWZAMBPBWKD-UHFFFAOYSA-N 408.543 1.422 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)cc1 1645850019 RRAHMCJBJSAISQ-OAHLLOKOSA-N 424.519 1.629 30 10 HDEE N#C[C@@]12CN(C[C@@H](O)c3ccc(F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1648415856 QHGNQKUEAKSUJF-GLQYFDAESA-N 403.273 1.492 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1650974747 OICWZNNGJFNPAA-WCVJEAGWSA-N 416.540 1.100 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ncnc3c2cnn3-c2ccccc2F)CC1 1651495878 QLRJDDOQMLXCDH-UHFFFAOYSA-N 407.453 1.216 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1652037439 OXFJLDIDPXBDJP-UHFFFAOYSA-N 413.503 1.719 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cccc(OCC(F)(F)F)c3)C2)c(=O)nc1O 1653759836 KBSVEWOBDFPWCZ-UHFFFAOYSA-N 408.336 1.388 30 10 HDEE CC(C)Oc1cncc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1655204335 BAKFNSDZBUVLIT-IBGZPJMESA-N 414.487 1.820 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1656206152 CPUUNGNWOFEYMW-GFCCVEGCSA-N 422.326 1.023 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)C1 1656883518 IUWCTDAYWNTJKI-ZJWNCGCPSA-N 409.455 1.965 30 10 HDEE CC[C@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)N1CCOCC1 1662562414 BUIRJQFBIKXCEY-HNNXBMFYSA-N 407.517 1.997 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1672902407 IABCCIDXAVSWJE-CVEARBPZSA-N 404.492 1.196 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 1682428383 LXYBKNREIHGQOM-FGTMMUONSA-N 401.511 1.551 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)C1 1684083660 XSDYGFYKSGVCLB-LJQANCHMSA-N 400.523 1.629 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1689936724 AWKSPUPSVBRPAZ-KRWDZBQOSA-N 411.510 1.964 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1689937359 XVCMQUIUIFRUQE-CABCVRRESA-N 412.519 1.398 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCC[C@@H]1C 1689950959 HYBPPPTUJGAHAE-MGPUTAFESA-N 402.520 1.969 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCN(C(C)=O)CC2)CC1 1690374819 ZISVBBXVONRDGU-IBGZPJMESA-N 402.543 1.840 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690669627 KMNICJOWHCFEIS-LJQANCHMSA-N 415.586 1.453 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)C1 1690684193 AMCSHJAIPKNTEC-MRXNPFEDSA-N 401.515 1.596 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1696021038 ALTKDNLIUJMZSA-DYESRHJHSA-N 420.558 1.637 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCOC1 1705575432 KKQGGBNZSKOOEN-QGZVFWFLSA-N 404.268 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(SC)CC1 1705577221 WHHVZTNOOOQMJZ-UHFFFAOYSA-N 404.503 1.889 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1ccnn1 1705597476 GSUOLUIIWQLDOI-FQEVSTJZSA-N 417.473 1.935 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1705599377 YGDUCYKMEUSLTQ-IBGZPJMESA-N 421.501 1.547 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1705599616 RKNCXYNDKSEKKB-SFHVURJKSA-N 422.464 1.459 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1705628341 DFUQZCYXQJEMAK-AWEZNQCLSA-N 400.570 1.408 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1705640877 JNNGHWMZCIBVAL-FCHUYYIVSA-N 423.561 1.984 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705816529 JMISCIQPPSXCOH-UHFFFAOYSA-N 410.526 1.446 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705832198 QEKBFTXCSUGAER-ROUUACIJSA-N 403.527 1.856 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)S[C@@H](C)C1 1705909345 ULVUCRRULXXVFO-JKQORVJESA-N 409.556 1.635 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)CC1 1705930829 WWZXAOMEPSOKAF-UHFFFAOYSA-N 418.523 1.763 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705942713 BFCSKDZUXGNYIR-AEFFLSMTSA-N 415.567 1.811 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)C1 1706932154 CMTWKMPKPPTHQJ-HXUWFJFHSA-N 415.498 1.486 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CO)c1 1712639636 JLCILUUTTRIRCK-WFXMLNOXSA-N 415.469 1.985 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1722320263 UXDZRQSNCCYQAS-UHFFFAOYSA-N 424.553 1.828 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722322448 SVUNAUTUQLKPMR-INIZCTEOSA-N 421.505 1.834 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722329541 CHMKUYDVQQAAGE-NQIIRXRSSA-N 421.549 1.742 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccc(OC)c1 1722354780 YOMDJSDBRATEGG-UHFFFAOYSA-N 404.474 1.772 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCC(=O)NC 1722376961 JXCXUXMTWJBVRK-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(OC)c1 1722417151 XGCSUZYPCHQHHD-UHFFFAOYSA-N 424.505 1.299 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCN2CC)CC1 1722440059 ZRAIZZRXKYABSE-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722627855 OWMRQSDTMKBPLP-DLBZAZTESA-N 418.542 1.563 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ncnn1C(C)(C)C 1722673950 KWACHYBMIYXYRP-UHFFFAOYSA-N 404.519 1.450 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC2(CCOCC2)C1 1722726109 ZUQSBUXAUGQOKQ-UHFFFAOYSA-N 419.551 1.891 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1csc(C)n1 1730762137 AOWHLABEASLZLS-HNNXBMFYSA-N 403.512 1.603 30 10 HDEE C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1731138317 BKJWCBXQLFMDGY-JVNIUBFMSA-N 416.526 1.600 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N(C)C 1740630411 CBVVYSHOXXZTKP-XMSQKQJNSA-N 411.506 1.899 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1740652902 RFIAFRAUJJOZJC-UHFFFAOYSA-N 424.530 1.781 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1740672161 XZNXUFGOTNCBEF-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C(C)(C)C)no1 1740684304 MMXNNEUQCXPXDX-OAHLLOKOSA-N 400.483 1.649 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(Cl)c2C)CC1 1740694296 FNDVWSPGFVUCLG-SFHVURJKSA-N 412.925 1.995 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C(C)(C)C1 1740951832 OSTAYEGLEANGKK-UONOGXRCSA-N 412.560 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1 1740990890 IYYUAWDLIMGVEO-INIZCTEOSA-N 403.508 1.466 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1741802962 MRCQZEGFQUMSHB-GOEBONIOSA-N 422.555 1.225 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(OCCO)c(OC)c1 1748665387 QEWVCLBSFFXUFY-HNNXBMFYSA-N 408.462 1.621 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCCN1S(C)(=O)=O 1748781022 UQMMSMPFHCAPBS-QGZVFWFLSA-N 424.530 1.987 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@](C)(O)CC)CC1 1748999405 UGXLMNLUTGWGHJ-JOCHJYFZSA-N 413.522 1.782 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749230351 XFMRTNHOEZTTKC-KRWDZBQOSA-N 418.542 1.759 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749396770 HKFNDFXWEHNIPM-UHFFFAOYSA-N 412.542 1.738 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749627584 RWXZZCSVSXLCCL-WDSOQIARSA-N 402.543 1.695 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749634017 VBNSNJAOLTYNHL-AWEZNQCLSA-N 423.477 1.655 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC1(S(C)(=O)=O)CC1 1760166088 PVIDZFXOYHGXSF-UHFFFAOYSA-N 410.503 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1 1760206878 POHOWPHLOYUMEN-UHFFFAOYSA-N 414.416 1.518 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1760262245 WFYNHSVQQZIHPK-OAQYLSRUSA-N 421.593 1.806 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1760324630 LEDYYHNCVYJBIQ-RXVVDRJESA-N 410.522 1.914 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1760411618 BOICDRDIDVJVIP-OAHLLOKOSA-N 424.571 1.244 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1760498838 GKBPBKSEOOESEL-SFHVURJKSA-N 410.522 1.943 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1760504909 FSDDMMUUKDCZRD-GOSISDBHSA-N 406.575 1.447 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)CC1 1760532715 CMFCENXRNCSBGR-GOSISDBHSA-N 424.505 1.511 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC(OCC)C2)C1 1760545404 UCKDMZNXGICCJN-ZRZPHAQCSA-N 402.499 1.390 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760569386 NDJFMWQIQTVWFN-HNNXBMFYSA-N 422.555 1.597 30 10 HDEE CC/C=C\Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1765339821 CCHRSXBIQIHTKI-JZIMQPMSSA-N 415.523 1.933 30 10 HDEE CN(CCC1CCOCC1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767306985 YWIOSBOXECZUMA-CZIZESTLSA-N 414.510 1.935 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1768145315 VQZHKGUNWXDJKS-HLIPFELVSA-N 407.515 1.718 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1771529581 QIBBCPQFXVJSNI-UZLBHIALSA-N 406.506 1.461 30 10 HDEE N#C[C@H](c1ccccc1)c1cccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n1 1853050237 ORXKMULXMMQMIR-GOSISDBHSA-N 410.499 1.987 30 10 HDEE CC(=O)Nc1ccc(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1853150352 AJSWKTHAMAQPKM-UHFFFAOYSA-N 407.474 1.820 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCc3ccccc3)CC2=O)cc1C#N 1854023080 HTHYAPPXOLZBHG-UHFFFAOYSA-N 411.483 1.724 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)[C@H](C)C1=O 1854182753 OXCQKVGEYFFVNJ-HUUCEWRRSA-N 400.458 1.963 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1=O 1854226218 GRSNBHUFTRXLQJ-IRXDYDNUSA-N 415.490 1.093 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCCc4nc(OC)ccc43)C2=O)CC1=O 1854299676 SORGDAHXDIAQBT-CRAIPNDOSA-N 412.490 1.395 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854718988 MQHJYHXYAFUMNK-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE CN(Cc1ncnn1C)C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1855991253 IZVNQBTXOKJGLZ-CQSZACIVSA-N 400.870 1.655 30 10 HDEE CCC[C@@H](F)C(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856097705 PNKZJQMDYWWIFT-RBUKOAKNSA-N 414.481 1.624 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)c1 1856954329 PCBRYVZQSYMPRN-RBUKOAKNSA-N 412.490 1.598 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)COc3ccccc3F)C2)CC1 1857053186 JIQCFPGMIGTOSB-HNNXBMFYSA-N 423.466 1.145 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@H]1CCN(C)C1=O 1857079048 AGDRSGNYNUTIPE-WMZOPIPTSA-N 414.506 1.578 30 10 HDEE C=CCCC(=O)N1CC[C@H](N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)C1=O 1857112191 SUVUCQFPJOJWAG-AWEZNQCLSA-N 410.396 1.843 30 10 HDEE CC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)CC1 1857286526 BVSOHRNJNMSYRO-MJGOQNOKSA-N 400.523 1.636 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1857356260 CZPRBJRBQHJSFF-VQIMIIECSA-N 412.465 1.932 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1861298446 FZZKLBIBMQYSQA-SJLPKXTDSA-N 415.877 1.428 30 10 HDEE CS(=O)(=O)CC[C@@H](C(=O)Nc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 1865987789 BTICTCIQKGVSMA-KRWDZBQOSA-N 411.439 1.596 30 10 HDEE C=CCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551085 IMUDQYFEEHJAKS-UHFFFAOYSA-N 405.300 1.781 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871695703 YLFLMYIIVXIQCO-UHFFFAOYSA-N 410.526 1.830 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)NCCc1ccc(OC)cc1 1872672030 DNOGACMNQYQOGR-UHFFFAOYSA-N 400.435 1.630 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874341486 LAKCCIKCMUIOKW-ANKPHQHTSA-N 419.507 1.770 30 10 HDEE C#CCOC1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)CC1 1890935161 LBJSOVJVSIFAHN-QGZVFWFLSA-N 407.536 1.433 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](CO)CNC(=O)OC(C)(C)C 1900166219 OBDCSBUVYCXDJN-CQSZACIVSA-N 401.504 1.707 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 1962321863 ZZJGXGFVHXHNMU-CWKPULSASA-N 417.347 1.990 30 10 HDEE N#CC1CN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2054406610 XJJSJXHDFXCGJI-BPQIPLTHSA-N 404.492 1.466 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2141609841 FSXLEAVACDNCOB-INIZCTEOSA-N 418.515 1.753 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@H]2CO 2239321554 VBNWWVURQICJSE-CBBWQLFWSA-N 401.529 1.319 30 10 HDEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243418355 AVFKHKJWGVWRFN-UHFFFAOYSA-N 406.292 1.520 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2247918444 LHZBRQRNDRCNER-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE C#CC[C@@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258955474 RPWFOUKNZYHMAR-SJORKVTESA-N 408.476 1.272 30 10 HDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)s1 2265845868 PYDXJXUJOQOIJG-UHFFFAOYSA-N 402.542 1.697 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](C2OCCO2)C1 2267121939 FFWYZCKLIHARNJ-CYBMUJFWSA-N 408.329 1.976 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[S@](=O)CC3)s2)OC1(C)C 2267379382 RCYSJPHDJSOEDY-DEOSSOPVSA-N 405.372 1.190 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469518 WXAZHTPNAXGEIP-RYUDHWBXSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@@H]3C(N)=O)c2Cl)OC1(C)C 2281939326 DIPFUTYKVCAEOM-SNVBAGLBSA-N 400.693 1.027 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)N(C)C 2282308496 RVOZXRLBHMVOBM-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC12OCCO2 2282320208 FKBQLLBCOFRXTM-KRWDZBQOSA-N 423.340 1.868 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322760 QJPZHUFVMCEDJM-STQMWFEESA-N 400.375 1.714 30 10 HDEE C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332561 DAEILSXWRRJVLM-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)s2)OC1(C)C 2282338363 MTXBSQDEJOMAEJ-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCSC(C)(C)C1 2282342500 IDKBXIUTIIERFR-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@@H](CO)CC2)OC1(C)C 2282348109 HLUHEHYLFXTEDG-BETUJISGSA-N 401.359 1.877 30 10 HDEE CC1(C)CN[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282489926 FWYXUBMZPPPDNS-CYBMUJFWSA-N 400.375 1.465 30 10 HDEE C[C@@H]1CC[C@@H](O)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282491557 LTOWWHUHGQRBIV-TZMCWYRMSA-N 401.359 1.722 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N=S2(=O)CCOCC2)OC1(C)C 2282506502 SYPJAPFJIUPOKZ-UHFFFAOYSA-N 421.371 1.375 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H]3CO)c(Cl)c2)OC1(C)C 2282507742 LWCWPJZVQXLOQZ-FZMZJTMJSA-N 401.721 1.688 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2282663912 WEBWTAQMWGONBE-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCCNC2)OC1(C)C 2282842710 BSRHBVALVCHMLO-AWEZNQCLSA-N 400.375 1.609 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CO 2282870179 OAZJDZKLTPSVPV-PXAZEXFGSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCc2nncs2)OC1(C)C 2282882456 LXDIFGZUOVKCJF-UHFFFAOYSA-N 415.371 1.561 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCC(F)(F)C(=O)O)OC1(C)C 2284407901 QDKMUUIJZGVFKJ-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE CC[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284414609 ITHDWGILFPOSHK-LLVKDONJSA-N 403.331 1.839 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284415636 YUCZGUNAHLLFFO-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCONC(=O)OC(C)(C)C 2300230366 JFBAOHAPANIALV-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(CC=Cc2ccccc2)CC1 2330589530 XDBSQLGQLDAMTH-UHFFFAOYSA-N 422.529 1.729 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2338685590 CACJXFNHNNOXSG-LURJTMIESA-N 415.107 1.837 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2C[C@@H]2CC(=O)O)OC1(C)C 2360943259 FIYNRYHPZZRRSV-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE C#C[C@H](C)N1CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 2362089197 SUYOBSZUHLSCPS-JXHRLWIKSA-N 413.518 1.969 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@@H](O)c1nn(C)cc1I 2363524771 FXEZBZVJQCASSE-GXFFZTMASA-N 402.261 1.544 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@H](O)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365191628 PSAWKMVRKXZGKL-HUUCEWRRSA-N 403.541 1.979 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2365206885 JWYVBNKQZWVHME-QMTMVMCOSA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCCOC)NC(=O)OC(C)(C)C 2367789223 QZPAPZXGGKKYLM-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE C[C@@H]1C[C@@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367798395 QKCQGCKJMRHXOX-CXAGYDPISA-N 401.481 1.436 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(COC)NC(=O)OC(C)(C)C 2367806583 LPSDTYOPFINYJK-CRAIPNDOSA-N 402.557 1.865 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(O)CCCSC2)OC1(C)C 2369683117 VWZZGGWFTKHLIR-MRXNPFEDSA-N 419.399 1.584 30 10 HDEE C[C@H]1[C@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2370678433 QBCFQOCFDCJCQZ-SGMGOOAPSA-N 401.359 1.827 30 10 HDEE C[C@H]1C[C@@H]1C(=O)NCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 31118099 HFTMFINOUXEYNJ-BBRMVZONSA-N 412.469 1.676 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)n[nH]2)cn1 59310877 ZKCCVLVAZRMBDM-KPSZGOFPSA-N 414.451 1.121 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N(CC#N)c2ccccc2)c1 104530311 ZQLOUPUWKQVRFY-UHFFFAOYSA-N 405.407 1.447 30 10 HDEE N#C[C@]1([C@H](O)c2ncc(Br)cc2Br)CCS(=O)(=O)C1 135404565 JEMCHDKNIWGTIS-GHMZBOCLSA-N 410.087 1.968 30 10 HDEE N/C(=N/O)[C@@H]1CN(C(=O)c2ccc(I)c(Cl)c2)CCO1 232346205 ATOUBBWCWMSIBP-JTQLQIEISA-N 409.611 1.532 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C#N 435830799 JWROEJWBGKPWLG-KRWDZBQOSA-N 414.462 1.180 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1ccc(C#N)c(Cl)c1 441193859 IGVORRLDKOYLHU-JOCBIADPSA-N 419.865 1.965 30 10 HDEE Cc1csc(NC2CCN(C(=O)C(=O)Nc3cc(C)n(CCC#N)n3)CC2)n1 442577719 SZSZMPOTOWFCPT-UHFFFAOYSA-N 401.496 1.912 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)CC1 448533718 YGOCCEUGLOSRJI-GOSISDBHSA-N 424.549 1.741 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc3cc[nH]c3n2)CC1 462525751 NATKWWJXMLRSRR-UHFFFAOYSA-N 424.486 1.651 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)CC#N)cc2)c(C)c1 476218956 OWJZXKWTEVXHQX-UHFFFAOYSA-N 408.457 1.880 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 479279051 IOJNZJYIROHOHX-UHFFFAOYSA-N 418.563 1.723 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 484205241 DPJJAWYGLBBPDQ-INIZCTEOSA-N 408.462 1.665 30 10 HDEE C=C(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 488894353 GCYCQPAPTWUEDE-QRVBRYPASA-N 404.532 1.926 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 506185868 DHDDBNCYUASHJU-VFNWGFHPSA-N 423.510 1.508 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 509001064 VMSQGAXGEJYROE-ROUUACIJSA-N 418.542 1.075 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 509010637 KAMVRFNWPJEERX-UZLBHIALSA-N 422.533 1.929 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)CC1 522832929 AKNIPPSAXIKKEV-AWEZNQCLSA-N 416.425 1.028 30 10 HDEE C[C@H]1CC[C@@H](C)N1CCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 533606567 DUTMBAPOBCXZPA-KDURUIRLSA-N 404.580 1.822 30 10 HDEE C[C@H]1CN(C)C[C@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534486446 DSNYCHXGDMWUSM-HOTGVXAUSA-N 404.536 1.510 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 540198261 HCBIKQWSCDXHMO-OAHLLOKOSA-N 423.498 1.942 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)CC2)n1 545506342 YJRXYKFFVGFZFX-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 546168887 QTKJLDRBQIKROE-HNNXBMFYSA-N 403.442 1.595 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)CC2 559474771 CUNBTIQCAYCPEU-OKZBNKHCSA-N 415.515 1.557 30 10 HDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1 570250917 WPSKGOMEYZZXGZ-UHFFFAOYSA-N 423.516 1.734 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC)CC1 577890578 NZMJFAWTZRFULD-UHFFFAOYSA-N 418.929 1.955 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 581466043 VZHNMKISDRYCHM-UHFFFAOYSA-N 422.493 1.563 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccoc4)[nH]n3)CC2)cc1 603788231 OUERCMBPSGCZIO-UHFFFAOYSA-N 411.443 1.688 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 619741718 XJUUYSNKXRYHMB-LAUBAEHRSA-N 419.533 1.992 30 10 HDEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669815751 JLMXJHLKUDILRX-OXJNMPFZSA-N 409.538 1.823 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734271209 GMHAQDAFBVZWLH-KRWDZBQOSA-N 423.558 1.263 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3ccc(C#N)nc3)CC2)nc(C(C)C)n1 734601482 UBUUCQGSBNFBQV-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCOC2)C1=O 751683443 UBCYOMYTZWSYAL-WBVHZDCISA-N 415.519 1.347 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 768752306 CWILMSQBLSGSQB-UHFFFAOYSA-N 416.409 1.910 30 10 HDEE N#Cc1ncn(CC(=O)NN2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 769074368 AQOCEVFIEJLWQY-UHFFFAOYSA-N 401.474 1.588 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 774998290 RGAPQPSBUCUJGV-OAHLLOKOSA-N 410.492 1.699 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 779659192 BABNNGOMSGMNAS-LSDHHAIUSA-N 423.514 1.024 30 10 HDEE CN1C[C@H](C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 786514613 YOGJOCNSRFNDCG-MSOLQXFVSA-N 406.398 1.789 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CCC2CS(=O)(=O)C2)C1=O 786681701 DMSJSZQMIVIDRX-MRXNPFEDSA-N 423.560 1.806 30 10 HDEE N#C[C@@H](C(=O)CCn1cc(Br)cn1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787054518 VVZTVYHNUCJQDK-AWEZNQCLSA-N 420.223 1.969 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)cc1C#N 787201820 JKMWCQZIXHBEDM-OAHLLOKOSA-N 423.473 1.120 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)OC)cc2OC)n1 788676520 NASLGCUECJGUIA-UHFFFAOYSA-N 400.435 1.992 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(O)c(OC)c1 789967707 HHTXTMVJMRLRKA-GFCCVEGCSA-N 402.480 1.877 30 10 HDEE CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1O 790407374 KWPOBRQTQOTLPS-UHFFFAOYSA-N 401.853 1.626 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)[C@@H]1Cc2ccccc21 795324889 MLTXBNGDDYWFAZ-QGZVFWFLSA-N 412.467 1.958 30 10 HDEE C=CCOCCCOC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 795470798 XKPFRNHFZQDRLX-OAHLLOKOSA-N 409.460 1.760 30 10 HDEE COc1ccc(Br)c(CS(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 800051449 LOFTYFHGYVRWCJ-AWEZNQCLSA-N 414.325 1.960 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 802010084 AKVDUQLXQZXRGE-QFIPXVFZSA-N 404.555 1.487 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 805114463 UKXYHOZIZDXVNJ-SJLPKXTDSA-N 408.524 1.933 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccc(F)cc1 812933474 DGMDEYAZMTUBOM-QGZVFWFLSA-N 406.439 1.345 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)=NO1 816837653 BPIBEMUPSIKCCU-HUUCEWRRSA-N 415.450 1.603 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849593059 ARFDZHSFIMOKMO-LEWJYISDSA-N 421.549 1.849 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 1125052927 NOKPDMIIGTXZBA-IBGZPJMESA-N 408.506 1.625 30 10 HDEE C#CCN(C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136354885 BVHWWGLJDYDUKK-ZIAGYGMSSA-N 404.554 1.282 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CC3)OCCCO4)C2=O)cc1 1141416786 VUBGACTYMXLJED-QGZVFWFLSA-N 412.446 1.519 30 10 HDEE C#Cc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1161803027 CJFICOFCIJHASR-UHFFFAOYSA-N 414.483 1.814 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3c[nH]nc3C(F)(F)F)C2=O)cc1 1189887640 AVYLZRKTTCAWAB-GFCCVEGCSA-N 413.381 1.380 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(C(=O)OC)CCOC2)cc1 1198252576 YACNLMBLFSIIGX-SFHVURJKSA-N 411.480 1.194 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1211463966 DWERIRKTGBJROU-JKSUJKDBSA-N 422.507 1.225 30 10 HDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1254337274 KBFAOWOTVAVKGV-UHFFFAOYSA-N 407.511 1.840 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286385711 ZELBJCOHWJIESM-ZIFCJYIRSA-N 407.584 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1286400168 YEURHTYWAXTCIS-IAGOWNOFSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc2c(c1)OCCO2 1286415861 RUWJEYFFTVGQKJ-UHFFFAOYSA-N 421.501 1.893 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCc1cnn(C)c1 1286426135 LGJDCLQOVQMZSZ-UHFFFAOYSA-N 419.489 1.835 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(=O)(=O)CC 1286441547 ZFPVCBRDAWJFBB-UHFFFAOYSA-N 410.931 1.782 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1286469713 JWCCLXGIIHGBDV-IAGOWNOFSA-N 411.485 1.819 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286592651 OTNWCJQSDHSDQN-OAHLLOKOSA-N 409.556 1.497 30 10 HDEE CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1295209243 OAYBAKLRXBIPLO-ZIAGYGMSSA-N 405.480 1.308 30 10 HDEE CCN(CCC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1295796937 DADPSICBELKFQD-IGGDJGDASA-N 414.510 1.935 30 10 HDEE CN(C)C(=O)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297983606 VOSJFONSYKIJDX-IAGOWNOFSA-N 401.515 1.175 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)Cc3cccc(F)c3)C2=O)cc1 1298572558 MNNNWLAMRMPZEG-MOPGFXCFSA-N 424.432 1.622 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)cc1 1300273682 XUDFKRARAWONGF-UHFFFAOYSA-N 413.459 1.920 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1300290747 OPNXMIAIXMZZTC-LBPRGKRZSA-N 423.395 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1300330610 ZUVHIAJLRUALBQ-ZMSDIMECSA-N 413.526 1.808 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1300512097 GOSWYQADQXCQFR-QHCPKHFHSA-N 421.501 1.411 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCOC 1300621975 STPHEBRISHRZMV-OAQYLSRUSA-N 410.478 1.841 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300989455 ONNFJXDHCPXPDH-MOPGFXCFSA-N 405.543 1.676 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1301040960 IMYBYXONRBEYKM-YOEHRIQHSA-N 400.932 1.940 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCOCC 1301045796 XXDDPDIMDVKCCA-AWEZNQCLSA-N 421.951 1.226 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1301079178 AXLYWVZDAWWGGS-IBGZPJMESA-N 424.553 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COCC)C1 1301578487 CBNGWVDCATULLL-HNNXBMFYSA-N 408.528 1.142 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCC[C@@H]1CO 1303367283 OGTSYIDZFIZZAQ-OXQOHEQNSA-N 421.521 1.095 30 10 HDEE CN(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1cccnc1 1303900133 RVXTZMWYFSVLGB-INIZCTEOSA-N 414.491 1.072 30 10 HDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1nc(C#N)cs1 1304187628 SDDRCGYJJHPYFZ-GXTWGEPZSA-N 407.540 1.857 30 10 HDEE CC(C)(NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1 1306890821 FMYMSNTXBYEFMC-UHFFFAOYSA-N 400.460 1.370 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)C1=O 1309446285 XLYXQCDWESMUSV-CYBMUJFWSA-N 405.398 1.595 30 10 HDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1309542012 GIWMAUBFRNOZHT-QWHCGFSZSA-N 421.397 1.620 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc1 1315537071 JNLJOQWPAMUBSI-RBUKOAKNSA-N 411.462 1.940 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CC3)n1CCSCCCO)C2 1316530653 JLLRQNJBQTUCNN-UHFFFAOYSA-N 400.508 1.806 30 10 HDEE C=CC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1320419714 HMSKNZQSQCUGOT-YCRPNKLZSA-N 417.462 1.395 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1349796814 OPSMMJPKJYXDRR-HXUWFJFHSA-N 419.547 1.479 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(S(C)(=O)=O)nc2)cc1 1355493033 LNXXAEFTDIFMSI-UHFFFAOYSA-N 409.489 1.544 30 10 HDEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358917489 RXTXUUVUEFYZDW-KRWDZBQOSA-N 424.505 1.883 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@]2(CCOC2)O1 1358952589 QUHCZXFCQDWJFZ-FOIQADDNSA-N 415.519 1.677 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1358964842 IJDMVVYNQBNZMU-KRWDZBQOSA-N 400.504 1.839 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1359018480 RORKNXQUUCZDKM-UHFFFAOYSA-N 421.542 1.955 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1359048032 CLHGLRPBJKHNCN-BGYRXZFFSA-N 403.552 1.790 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCN3C)CC2)nnc1C(C)(C)C 1359137461 QLENHDZNXNOJRF-GOSISDBHSA-N 418.586 1.911 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C)C1CC1 1359251115 CRFREBPHQLIIGW-MRXNPFEDSA-N 404.540 1.930 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1359785865 CAPKQOALBQFTDD-AMGRQBIBSA-N 402.499 1.618 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCOC2=O)CCOC1 1360318949 ALXGPCDCEUBWQC-JXFKEZNVSA-N 420.514 1.899 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCCCC1 1360680360 AFDSSAXWXDMHMB-BBRMVZONSA-N 414.507 1.025 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1435884026 JNWUMRUCRBRAQJ-IBGZPJMESA-N 404.474 1.624 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCO1 1439729127 DURVSJIXRFMETC-INIZCTEOSA-N 409.483 1.186 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H](COC2CCC2)C(=O)OC)c1 1446112947 WXEZUXXVMQOHNG-GOSISDBHSA-N 407.488 1.666 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCNC(=O)OC(C)(C)C)ccc1F 1450994711 QYYJEUXYDSEINM-UHFFFAOYSA-N 415.487 1.887 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)C1 1455703413 JYRDKVGKMBWWDB-INIZCTEOSA-N 409.577 1.679 30 10 HDEE COCc1nnc2n1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1461369320 LGPCAYUGEHRZII-CQSZACIVSA-N 406.487 1.744 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc4c(nc3O)CCC[C@H]4O)C2=O)cc1 1466821122 CIARDXSUZSTSNS-RBUKOAKNSA-N 406.442 1.954 30 10 HDEE C=CCn1cc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)nn1 1468670993 RJHHFGLPUKFYQW-UHFFFAOYSA-N 423.520 1.085 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCOCC1 1470866175 NMYOSYQRZOELCO-CQSZACIVSA-N 406.464 1.552 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)C(=O)N2CCCC2)s1 1470983538 BVBFRZBOQIBSAF-UHFFFAOYSA-N 413.565 1.520 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 1471338422 YNZBTPMGDKAPEL-SFHVURJKSA-N 422.526 1.376 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(CC1)C[C@@H](O)CNC2=O 1473852255 PWTUBBOCAZXEGJ-QWHCGFSZSA-N 402.520 1.398 30 10 HDEE C=CCC1(NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CCOCC1 1475473654 FDGIBTYSBSWUEQ-UHFFFAOYSA-N 403.298 1.952 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ncccc3C#N)CC1)CCO2 1479302251 CRELIZJLPZWRKI-BQIYRTECSA-N 413.478 1.286 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)CO1 1479468449 WVBQLYSUAPQBTJ-MRXNPFEDSA-N 401.467 1.941 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)[C@H](C)CC 1499140758 HOBVICRHLUKJHQ-QVKFZJNVSA-N 414.558 1.878 30 10 HDEE CN(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503405666 ZAPAFEIXORKNDP-RBUKOAKNSA-N 417.558 1.274 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1503943513 HGJAVPHRCQEQTK-WDYCEAGBSA-N 424.505 1.726 30 10 HDEE COC[C@H](F)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504605226 OTKKKVCAGDGHAB-DZGCQCFKSA-N 400.462 1.517 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1507727904 OBHNLOLOHBOHCB-LJQANCHMSA-N 419.595 1.591 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ncccc2N(C)C)CC1 1507733684 IALLKDJSPFYKEW-UHFFFAOYSA-N 409.538 1.877 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)OC)CC1 1507740354 RCVBAWSCCLZNTG-OAHLLOKOSA-N 401.536 1.931 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1507842706 CLIANDLBHMVAPJ-IRXDYDNUSA-N 418.542 1.707 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507858778 QYKYTXVOXXGSEL-AWEZNQCLSA-N 421.288 1.498 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1507958594 XJJRSZBACUJNGH-CABCVRRESA-N 401.533 1.096 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508089242 WOFCBXVPMOQVNH-ZFWWWQNUSA-N 404.515 1.807 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCC[C@@H]2C)CCOC1 1509818682 SOIDKZIKCVBNJB-KJNZLNQQSA-N 419.526 1.599 30 10 HDEE CCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1514426751 CUCSQPBAKWZKRM-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1519325514 GLXXUJKFKNQABW-APWZRJJASA-N 414.510 1.845 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 1535781338 OXULKPGUDDMNNU-AWEZNQCLSA-N 406.826 1.460 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1539026143 QYALAYUBDIDXGV-MRXNPFEDSA-N 412.494 1.580 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139258 CFETXCPPXNSDCV-HXUWFJFHSA-N 404.515 1.194 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1539179101 NEMYIPNYWZAMMN-MRXNPFEDSA-N 419.576 1.369 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)Cc1ccon1 1539187859 XWTOJBNSHIGFFS-UHFFFAOYSA-N 420.520 1.107 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539441422 OJACYGYGUYBCAQ-HXUWFJFHSA-N 406.534 1.959 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1539752430 NKZFHVUPICUORS-UHFFFAOYSA-N 411.553 1.461 30 10 HDEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 1540577479 VUSHUOJDXYDMFS-IRXDYDNUSA-N 400.385 1.249 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)c2ccccc2C1 1540861671 BDJVZSHUVNQNEO-UHFFFAOYSA-N 423.521 1.273 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1540866126 CUNUKSODKFLDFB-HXUWFJFHSA-N 417.897 1.896 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCOCC2)C1 1540890413 DUILDZHWMHJMIS-IPMKNSEASA-N 405.543 1.532 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1540890761 JONZLSJHNRYCJK-IAGOWNOFSA-N 416.526 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C[C@@H]1CC 1540906893 GBSBXAOMUHFLPC-CVEARBPZSA-N 409.556 1.626 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1543463728 VAAKVRDAMWYUEQ-SOLBZPMBSA-N 408.520 1.643 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1554596961 CSJBULVNXIEEEA-AWEZNQCLSA-N 403.508 1.865 30 10 HDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 1560098348 FTHQLTXUQZTIFS-JOCHJYFZSA-N 410.474 1.573 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 1561233233 GEKSELMEORNEKX-UHFFFAOYSA-N 412.515 1.322 30 10 HDEE N#CCc1cccc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1562816586 BKJPLYFVHDHAIZ-UHFFFAOYSA-N 413.503 1.937 30 10 HDEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1568249297 TUAMSIAGEWVUBI-HNNXBMFYSA-N 418.837 1.155 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C1=O 1568439846 GOEUMPRUJMYOCF-VLIAUNLRSA-N 418.498 1.475 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1c[nH]nc1C 1570611304 DJDGUHQMRVYZRY-INIZCTEOSA-N 403.508 1.974 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)CO 1570784039 FFQOFEQRPFYEDU-QGZVFWFLSA-N 404.492 1.083 30 10 HDEE C#CCC1(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CCOCC1 1584613187 PRJVMLVWOKWCOK-UHFFFAOYSA-N 414.462 1.566 30 10 HDEE CN1Cc2ccccc2[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1=O 1587626598 MVQKJPPSKBUHJS-GOSISDBHSA-N 412.471 1.322 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(OC)CCC1 1588180109 BDSHXNAZQVDWOO-MRXNPFEDSA-N 407.540 1.310 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[C@@H]2C)n1 1588722949 INGRLMITTIWNQI-IRXDYDNUSA-N 408.510 1.817 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1588806282 LVWFMCPEXVCHCR-QUCCMNQESA-N 421.549 1.509 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCN2CCCC2)CC1 1588871672 MMFMCXQVFWNZDJ-UHFFFAOYSA-N 412.513 1.847 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1593858005 BEEQRIQWJBVQOW-UHFFFAOYSA-N 412.947 1.896 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1594949019 PPINHYPFJZJBPN-MRXNPFEDSA-N 403.508 1.466 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 1598407696 NBHVDKVAAVWYRA-SJORKVTESA-N 410.559 1.502 30 10 HDEE CC(C)CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1607218355 SDJGSSHGUNHENU-HNNXBMFYSA-N 412.560 1.691 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1611308923 WGTMYZSLLBXTLC-MSOLQXFVSA-N 403.575 1.936 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1611314186 HYKSOHLJZXXPFJ-CVEARBPZSA-N 402.524 1.827 30 10 HDEE O=C(c1cnn(-c2ccc(F)cc2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648787 JISFRGTYKKICQJ-UHFFFAOYSA-N 409.377 1.924 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1612576098 SHLTXADOCINUCJ-GASCZTMLSA-N 411.510 1.621 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C)cc1 1619321901 AQBUOWLQPMMCRY-YJBOKZPZSA-N 400.483 1.545 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCN(C(C)=O)C1 1619967951 LMAKSNJHNNFDAH-JFIYKMOQSA-N 406.531 1.856 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1620052063 CPNFIAHMGROURI-LJQANCHMSA-N 424.505 1.585 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1622146353 YXZPLMWRVMBULI-CABCVRRESA-N 422.956 1.992 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1cc2ccccc2n1CC#N)C1CCCC1 1626234581 CORGNBOKOQUSHL-QGZVFWFLSA-N 417.535 1.849 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(C)cc2C)CC1 1627015606 XNLYZLFNAACAME-UHFFFAOYSA-N 406.324 1.963 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(C)cc1)N(C)C)c1cc[nH]n1 1627019076 AJGOKSUPNOASTJ-QGZVFWFLSA-N 401.467 1.421 30 10 HDEE C#C[C@H](NC(=O)[C@H]1C[C@H](O)CN1c1ccncn1)c1ccc(Br)cc1 1628542857 KTRYYBFMPBPREJ-HRCADAONSA-N 401.264 1.669 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1628903718 MPRRDSNEBVWKTR-LIRRHRJNSA-N 401.488 1.903 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccnc2-n2cccn2)s1 1629884403 ZBTROHHLHZWUSJ-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1629894436 AZNWHIJALCFWFP-AWEZNQCLSA-N 424.885 1.876 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2Cc2cccc(F)c2)CC1 1634876574 VADGSOZDDCUWNC-HXUWFJFHSA-N 400.498 1.074 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2=O)cc1 1635976626 LIHDUIHJQWCPLW-CRKNUFBFSA-N 411.389 1.915 30 10 HDEE CC(C)(C)n1ncc(C(=O)N[C@H]2CCCN(O)C2=O)c1I 1636545932 CEZYOZHNMZOAST-VIFPVBQESA-N 406.224 1.353 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1636967197 YMUCLCHQFFXKIW-UHFFFAOYSA-N 413.459 1.142 30 10 HDEE N#Cc1c[nH]nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1638655997 BGGIRXRPEBPNSB-LBPRGKRZSA-N 409.855 1.644 30 10 HDEE C#C[C@H]1COCCN1C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1638848344 NCYLLCRVIOQWQZ-NSHDSACASA-N 410.801 1.498 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)NCc4ccccc4)CC3)CC2)cc1 1639951603 UZJVWVWRKAUJFQ-UHFFFAOYSA-N 424.526 1.769 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCn2ccnc21 1641229100 FZPWAOOMLKOMJO-OAHLLOKOSA-N 401.492 1.743 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2O[C@H](C)CC)CC1 1643372268 DBJXAKQLSLCZRK-SXSDINLZSA-N 405.520 1.489 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cc(C#N)cs2)cc1OC 1645691525 JLICGTHDMKXCDA-UHFFFAOYSA-N 409.489 1.574 30 10 HDEE C#CCN(CC(=O)N1CCC(CN=[S@@](C)(=O)N(C)C)CC1)C(=O)OC(C)(C)C 1648613584 YXMRFERGAAHXCA-MUUNZHRXSA-N 414.572 1.670 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1648800061 YUTXAMATLOTXMQ-VMMWWAARSA-N 424.423 1.171 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4ccc(C#N)o4)C3)[C@@H]2C1 1650818624 DMPOTLLCXLXDAF-BJJXKVORSA-N 416.434 1.806 30 10 HDEE C#CC1(O)CCN(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)CC1 1655172894 RKAFKZDYDWRLQY-LJQANCHMSA-N 402.516 1.407 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1655293929 YTXCWZWBQHAMNK-QINHECLXSA-N 420.535 1.109 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)CC1 1660133247 JCNGXLKNAHUTDS-ZWKOTPCHSA-N 421.586 1.914 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1661950987 HIEFQCTUZFCTLD-IBGZPJMESA-N 418.563 1.675 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)nn1 1662631441 GZTFMMBEMCMEET-UHFFFAOYSA-N 400.233 1.716 30 10 HDEE C#CC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCCC1 1665164225 ZKAWBUFASRJPMA-QZTJIDSGSA-N 406.504 1.888 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)c1 1669726801 PXQSXXFVESHBTP-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)c(C#N)cn1CC 1672913474 IDDIHGLLXDTTDD-CYBMUJFWSA-N 411.484 1.102 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cc1C#N 1674772783 HFIGDHJMGSNKHM-RDJZCZTQSA-N 414.510 1.806 30 10 HDEE C[C@@H]1CC2(CO1)CC(NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1676348574 JXHMSLDXMAOEFD-XRTORIHISA-N 418.519 1.532 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(Cl)c2Cl)CC1 1679507378 JFTBQTWCATYUQZ-LBPRGKRZSA-N 419.334 1.849 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1681805562 SXVJYMSOZYVVBY-ODIFPOPNSA-N 421.523 1.224 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 1682794056 BNSMREOGPZQLPS-JONQDZQNSA-N 400.445 1.382 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)NCc1nc(C#N)cs1)C2 1685441670 VLXCZKQIFNAXLG-UHFFFAOYSA-N 405.505 1.533 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1689852809 KWRKWLXXIKZUPZ-KSSFIOAISA-N 421.461 1.402 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1689875470 SVYSQOCRYCLDIP-HNNXBMFYSA-N 418.523 1.598 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCCC 1690089498 CIQXKNIQIXASHT-UHFFFAOYSA-N 409.469 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2ccn(C)n2)CC1 1690150274 BFKZEDLMNJBBIC-UHFFFAOYSA-N 423.565 1.953 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1690189163 VCNWGQJUFBIAQA-JOCHJYFZSA-N 414.554 1.617 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1690622138 IQMMYFPPVFPHMJ-INIZCTEOSA-N 421.523 1.271 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690664111 KMWLGJSNMRNILO-FOIQADDNSA-N 401.467 1.533 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccncc2)CCOC1 1692595635 PJOVMKBOFNJSQH-WIYYLYMNSA-N 412.494 1.685 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1693845033 COZQGIDCUKTUJT-GQIGUUNPSA-N 419.505 1.172 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)CN(C)C1=O 1694120043 FWFIYAFANMSKIL-ZHRRBRCNSA-N 422.537 1.863 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CCOCC1 1694724375 BQUZBJNNHVCICH-UHFFFAOYSA-N 424.549 1.966 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC1(O)CCOCC1 1696688068 GXJFLMYRGIRBML-UHFFFAOYSA-N 405.462 1.785 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1705490615 NPBIDTUJQCPEAC-LSDHHAIUSA-N 410.478 1.311 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705524716 RDYCJNRPKXLXSQ-HOTGVXAUSA-N 424.571 1.044 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](OC)C1 1705531455 KMFXMGCMJFPPMZ-OAHLLOKOSA-N 402.524 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1705595707 CRVSQESAKMFZJA-UHFFFAOYSA-N 420.473 1.456 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705659414 VJJFJIUIVCMBDZ-OAHLLOKOSA-N 402.524 1.289 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2ccnn2)CC1 1705812272 VHKZPMXFASZKJE-OAHLLOKOSA-N 422.559 1.363 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705819593 PKQKZUBNMBWPEG-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1705842700 RQALIUVAAIZYPC-HXUWFJFHSA-N 415.567 1.942 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N(C)C)C1 1705914994 RFXHEBWCQYUEGQ-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1)N(C)C 1706852204 ANLUMKORJDBYPV-LSDHHAIUSA-N 419.555 1.346 30 10 HDEE CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1709914321 JJAYCELIHJHARA-FBMGVBCBSA-N 411.422 1.836 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)[C@H]1CCOC1 1711028282 QDKNNRXTQQXCAW-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1712700412 WRPZDWJHZKSJOU-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1722276157 HJTJHWPVVWGPMV-UBHSHLNASA-N 410.569 1.915 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722349581 SNOSJEQZORFQSG-HXUWFJFHSA-N 424.549 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCCC 1722392164 IOUHXEWDNAMLPH-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1722459718 PPDVGHPSBRYSMW-GJZGRUSLSA-N 412.581 1.550 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1722499894 NGWAIWMVCSRSSQ-UHFFFAOYSA-N 400.483 1.826 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1 1722506007 LGPYTDAXNJGQQB-FUHWJXTLSA-N 417.535 1.865 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1722625168 OPCJQJZCXJKQCJ-GOSISDBHSA-N 415.542 1.430 30 10 HDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1725654661 IGBCOOGOKAAEGA-DOTOQJQBSA-N 419.555 1.904 30 10 HDEE CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1727866217 YBPXTWAFBHXFEB-OGZRUICASA-N 422.555 1.707 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1729780409 YDMKNRLCBFDNTD-HNNXBMFYSA-N 409.450 1.652 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCOCC1 1730761619 AQUOTMXSQQIMEI-UHFFFAOYSA-N 416.482 1.462 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCc2nccn2C1 1730762265 CDAHWRIKZYNRBK-ZWKOTPCHSA-N 413.526 1.998 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccn(C)n1 1740647233 LLYAIBIRPSOYCU-UHFFFAOYSA-N 422.514 1.593 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnn(CC)c2)CC1 1740689122 PGNDZUCDNDWUGS-UHFFFAOYSA-N 412.542 1.216 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CC1 1740694897 XCBAMFBTKWNHJG-SFHVURJKSA-N 414.554 1.376 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)SC)CC1 1740694910 XOKQCGICENRHHE-CQSZACIVSA-N 402.524 1.513 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740718066 HFTNHBMYYPHZKO-QZTJIDSGSA-N 416.551 1.988 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740723509 QYPRFXJRGFNWDD-RBUKOAKNSA-N 418.611 1.712 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCCNS(C)(=O)=O 1740727342 IHYAAVKDOCGFKZ-HXUWFJFHSA-N 417.535 1.885 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1743515024 JOECKADUFQVMRS-SAGLZJIZSA-N 407.515 1.528 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1748639380 GFXUFEOYGIHGIZ-CABCVRRESA-N 405.524 1.793 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748715916 TVRHYCUDVIIYJH-CVEARBPZSA-N 412.498 1.117 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1748745772 XCOOGGGHIRFIHJ-MRXNPFEDSA-N 402.524 1.580 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sccc1C 1748863587 ALVWWLWFBRCSJQ-OAHLLOKOSA-N 405.549 1.769 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(O)CCC2)CC1 1748971264 JXLYOQHFGIJRNB-UHFFFAOYSA-N 422.533 1.817 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)COC)CC1 1748984154 HAECYZCPEJWCMK-QGZVFWFLSA-N 413.522 2.000 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CC1 1748989874 DEOFRXPBZAYNEN-IBGZPJMESA-N 414.554 1.581 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1749507265 WTFYSCTWJZAPGR-VWKPWSFCSA-N 420.558 1.738 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1749572947 IJZOEYGPQDMIIR-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cccs2)CC1 1749677295 VBYLJWURNWCZEC-UHFFFAOYSA-N 400.552 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCc2ccco2)C1 1749707044 TZPVJFPYAJHZRO-QGZVFWFLSA-N 411.466 1.369 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)c1 1751646603 FISPXCNQYVHNHZ-LEWJYISDSA-N 414.485 1.674 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)F 1760109734 DEFGOEAXTOSBMK-CQSZACIVSA-N 413.432 1.970 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCS(=O)(=O)c2ccccc2)CC1 1760262784 AKGVEPXHVDVZKL-UHFFFAOYSA-N 413.547 1.460 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760451247 CVOZDXDNHJREKS-ICSRJNTNSA-N 418.586 1.812 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(Cc2cccnc2)n1Cc1nnn(C)n1 1760501279 LXGUSQRFVWDHLI-UHFFFAOYSA-N 405.466 1.664 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1760520590 SONUQJNGUJEZIO-OAHLLOKOSA-N 410.457 1.819 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1760553453 CSZSEFWGXIAGCY-HXUWFJFHSA-N 420.510 1.993 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1766563338 QVSFADHZPJATLU-KKSFZXQISA-N 415.494 1.741 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCC(C#N)CC1 1768285810 LYPZTOMEYRLVIS-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1769283675 POFGEVRQCNJZSN-SJORKVTESA-N 421.498 1.673 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1770052310 ROOLMXCWYSMODB-ALKREAHSSA-N 421.523 1.700 30 10 HDEE CSC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1772790793 XDISVYDWTNASHX-SLEUVZQESA-N 416.455 1.648 30 10 HDEE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)ON1C(=O)c2ccccc2C1=O 1772791286 RCNUQBGGCLNSIG-JOCHJYFZSA-N 419.393 1.740 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2 1848744784 PCKBMNHWUGOMDC-CYBMUJFWSA-N 417.466 1.406 30 10 HDEE C=CCC[C@H](C)CNC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 1850555819 ZBZPCKOJJWSJQA-LSDHHAIUSA-N 400.541 1.987 30 10 HDEE C=CCN(C(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1)[C@@H]1CCN(C)C1=O 1850564551 RQRUCYMLYNWMGL-MRXNPFEDSA-N 414.535 1.450 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Br)n1 1851241863 TTYNUHAJMFLTBJ-SNVBAGLBSA-N 413.297 1.858 30 10 HDEE CCOC(=O)[C@H]1CCCN(CCCNC(=O)c2cnc3c(C#N)c(C)nn3c2C)C1 1851677593 OXGBWXADTZYXHN-INIZCTEOSA-N 412.494 1.613 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2cc(Br)cnc2OCC2CC2)NC1=O 1851694410 KVTKCBPUUBWVNP-UHFFFAOYSA-N 421.251 1.567 30 10 HDEE N#CC1CCN(C(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1851714236 USJYYONYGWHXGJ-FQEVSTJZSA-N 414.531 1.572 30 10 HDEE CN(C)c1ccc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1 1851758524 NYESBMFGQBMREM-GOSISDBHSA-N 411.462 1.351 30 10 HDEE CC(C)(C)[C@@H](C(=O)N1CCC(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852190242 LPNSJWQZPFWUKF-LJQANCHMSA-N 418.563 1.804 30 10 HDEE O=C(NCC#Cc1cccnc1)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1852937731 OVZVSSGJMFYCNK-FQEVSTJZSA-N 403.548 1.619 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853610996 LRJSHUULOIFYJT-IAGOWNOFSA-N 406.527 1.317 30 10 HDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc21 1853644377 ZZSBBMKNDOIPQY-QAPCUYQASA-N 418.519 1.873 30 10 HDEE Cn1cnc2cc(C(=O)N3CCN(CC(=O)c4ccc(C#N)cc4)CC3=O)ccc21 1853935816 QLGDHZYNSAKZKT-UHFFFAOYSA-N 401.426 1.612 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1C 1854032107 HIGRFXZHSLECFZ-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE Cc1nc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)cs1 1854203004 UGOXNJIPPIYAMT-SFHVURJKSA-N 409.515 1.882 30 10 HDEE COc1ncccc1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854292872 UUZDUGZDVRSPSS-KRWDZBQOSA-N 407.430 1.251 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cc(Br)cs3)C(=O)C2)C1 1855019555 QXSGKYGXFDXZNB-ZDUSSCGKSA-N 411.325 1.783 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1855079874 BAKVIGPIGXGBMU-HOCLYGCPSA-N 402.520 1.362 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)C4CC4)C3)CC2)cc1 1855634926 YKNPOCAPCUKMFU-KRWDZBQOSA-N 401.488 1.744 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3cccs3)C2)CC1 1855853174 MFJYAXAPKUWKRV-INIZCTEOSA-N 409.515 1.755 30 10 HDEE N#CCCCN1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856076438 VSYUVCIGDJMQDN-UHFFFAOYSA-N 416.503 1.484 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1856551665 RPDADDYWOKOYJJ-SFHVURJKSA-N 421.494 1.743 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1C 1856602670 IRIFESZHEFQAIU-KRWDZBQOSA-N 405.476 1.830 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3c(CC)nc4ccccc43)C(=O)C2)C1 1856832471 PYMGXHJCLLOEEP-GOSISDBHSA-N 409.534 1.920 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857076266 CWFGJKTWEWRAIR-AEFFLSMTSA-N 417.481 1.688 30 10 HDEE Cc1ccc(OCC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1857077420 FRWXIXDRBDVOEE-QGZVFWFLSA-N 402.428 1.793 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cnc3ccc(C)cn23)C1)[C@@H]1CCN(C)C1=O 1857269169 KHCMFYCQVFYZGS-IAGOWNOFSA-N 409.490 1.350 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C(C)C 1857347664 UIIPOAOHCPGPLK-QGZVFWFLSA-N 419.503 1.166 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C[C@H]2CCCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857457057 DJOOKJQPWXDGBF-LSDHHAIUSA-N 405.476 1.957 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1857489937 LFTJXHAQWCAHED-QZTJIDSGSA-N 423.510 1.614 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(CN=c3[nH]cc4c(c3C#N)CCC4)cc2)CC1 1859804317 NPMGXHKUDXCHJU-UHFFFAOYSA-N 411.531 1.412 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179446 OUTJPPIUPBSZOY-HOTGVXAUSA-N 413.474 1.531 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCNC(C)=O 1870530676 SUGLVHBCRJYFLL-QGZVFWFLSA-N 418.538 1.452 30 10 HDEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873591969 XWTUSFIEMBMQAJ-UHFFFAOYSA-N 400.527 1.914 30 10 HDEE Cn1cc(-c2cncc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)cn1 1891613895 ZXVJZRFOVAWNPE-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1982283938 USHYFEDUSAGSSV-NWDGAFQWSA-N 413.334 1.887 30 10 HDEE Cn1ncc(Br)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2102374395 USFSRBNFMWNKFB-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)CO1 2174778998 DPSVWWIUKXJWBF-CABCVRRESA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)O 2195346083 OHGIGTATNAMWBP-AWEZNQCLSA-N 400.428 1.980 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2243108534 MWWIAQQXRJNQAB-UHFFFAOYSA-N 407.320 1.704 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2247824002 UCXOHTFWOGQNAO-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2247836147 XIRJOMPGVANOPW-ZDUSSCGKSA-N 420.275 1.057 30 10 HDEE Cn1ncc(C(=O)N(OCc2ccccc2)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2247915883 LHUZJGFDZVQQRV-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2250001019 QOHVTHSKMBFGIN-HOTGVXAUSA-N 422.331 1.745 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277721426 MQMPDWKIRPHLNG-VIFPVBQESA-N 423.271 1.734 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282180906 YSEIRXFQEVBQCD-ZBFHGGJFSA-N 402.300 1.994 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C 2282329954 TWNGCCIUZKMBNL-VWLOTQADSA-N 405.351 1.304 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC[C@H]2CO)OC1(C)C 2282492531 RIWINQFAULSHQM-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@](C)(O)C2)OC1(C)C 2282503168 VYTXYSGYCFQYPX-KRWDZBQOSA-N 401.359 1.724 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1C1OCCO1 2282826936 VGKKNWXKOVOTSB-MRXNPFEDSA-N 423.340 1.820 30 10 HDEE CC(C)(CC(N)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829822 KSDAHHCZNWCABK-UHFFFAOYSA-N 422.765 1.633 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCNC1(C)C 2282833425 XHGCPOLUMBQFFS-CYBMUJFWSA-N 400.375 1.775 30 10 HDEE CO[C@@H](CCO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834608 LQJSFJKESDAPEC-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2COCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282838667 SEORSRQSBDVCHW-GFCCVEGCSA-N 403.331 1.049 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282843187 JNXFYBVOMJSONN-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE CCOC(=O)CN(CC)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847562 AQMJLSJLRULDHW-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCN=S(C)(C)=O)OC1(C)C 2282871483 HXDGUMLVLPEUAC-UHFFFAOYSA-N 422.403 1.194 30 10 HDEE C=C(CS(=O)(=O)NC[C@H]1CCS(=O)(=O)C1(C)C)B1OC(C)(C)C(C)(C)O1 2282871520 INPQHUFRWIJBPF-CYBMUJFWSA-N 407.363 1.307 30 10 HDEE CN(C[C@@H]1CCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883354 ZISQSBWLFLVMCF-CYBMUJFWSA-N 400.375 1.418 30 10 HDEE CCCSC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2284381423 KJDHSYQKOJPSLI-LLVKDONJSA-N 400.331 1.769 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284400649 XKPSMHXNGXUSQD-UHFFFAOYSA-N 407.294 1.141 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CC(=O)O)s2)OC1(C)C 2284400751 XVEVOBOIJGMPDV-NSHDSACASA-N 401.315 1.675 30 10 HDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1cccnc1 2296598840 WQCURNUVUUFQQP-LJQANCHMSA-N 409.442 1.836 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=Nn1c(S)nnc(C)c1=O 2321664198 XPYNMVABYMUWRK-UHFFFAOYSA-N 403.420 1.403 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(COC)CN(C(=O)OC(C)(C)C)C1 2367794237 YTQRWXQUJLZZQJ-OAHLLOKOSA-N 400.541 1.429 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2367806976 OWZZVKXSZGJLDX-GJZGRUSLSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C1(NC(=O)OC(C)(C)C)CC1 2367808162 AHKFZJCFZKQZIU-HUUCEWRRSA-N 400.541 1.353 30 10 HDEE CC1(C)OB(c2csc(CN3CCC[C@H](CS(C)(=O)=O)C3)n2)OC1(C)C 2368848926 HBQAVOASIQZXCA-ZDUSSCGKSA-N 400.375 1.699 30 10 HDEE COc1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 96345192 HQFHEKIALFIWAS-UHFFFAOYSA-N 414.483 1.498 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])nc43)cc21 96552430 TULQGSACPCUKIK-UHFFFAOYSA-N 424.369 1.510 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cccc(S(N)(=O)=O)c3C)CC2)c1C#N 461203420 VOHUVGQHOVUYTG-UHFFFAOYSA-N 405.505 1.241 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@H]2CCc3ccccc3NC2=O)CC1 483529342 YYLOQSSGPMFXQB-IBGZPJMESA-N 410.499 1.818 30 10 HDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 497572718 GFPFAAGEQMSNJH-MRXNPFEDSA-N 411.527 1.992 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505014230 PSSVZCXYJNHNFN-UHFFFAOYSA-N 421.523 1.094 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 505644634 BKPLTZZYHTZHPC-MRXNPFEDSA-N 419.489 1.919 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)CC1(C#N)CCCC1 511013177 HJYJKNJLAJFMPU-UHFFFAOYSA-N 419.956 1.930 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 522109746 UXAMCXFPMREFGG-UHFFFAOYSA-N 410.495 1.985 30 10 HDEE COc1cc2c(cc1F)CN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 537534302 WMNWUHKQOWUXAY-UHFFFAOYSA-N 413.453 1.709 30 10 HDEE C=CC[C@H](CO)NC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 545367693 FZJIZLOXFXIYFC-KZNAEPCWSA-N 417.506 1.907 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@H]1CCCO1)CC2 555388758 DOJCFJDZCSQTTN-GOSISDBHSA-N 417.473 1.652 30 10 HDEE CC(=O)c1ccc2c(c1)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 564510294 LRJKMBBXSLQMMM-UHFFFAOYSA-N 411.483 1.667 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)cc1 566813643 YNWHDPBSXYKKJO-UHFFFAOYSA-N 413.434 1.720 30 10 HDEE CCOc1ccccc1S(=O)(=O)NCC1CCN(c2nccnc2C#N)CC1 585227238 UQYGQPQRXVYYOC-UHFFFAOYSA-N 401.492 1.942 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 609004704 NFIHRIYASDBPOL-UHFFFAOYSA-N 410.430 1.828 30 10 HDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 618466013 RVRXYEHIULNRKY-YOEHRIQHSA-N 400.439 1.017 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 669753063 IHYGIVBSQLRBMU-DOTOQJQBSA-N 418.519 1.885 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 685546081 WKHGCBSGWRCDFZ-DZGCQCFKSA-N 403.508 1.625 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(C)C)cn1 730143716 CZVQCXPNFAXGRE-HNNXBMFYSA-N 407.540 1.746 30 10 HDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 730251235 FSHBFBWKXSOJHS-UHFFFAOYSA-N 414.443 1.280 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)[C@H]1CCS(=O)(=O)C1 731213247 YUYMUWOSBIZZKP-LBPRGKRZSA-N 410.517 1.084 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1ccc(Br)s1 732440634 DODWUGQTXDBLCZ-YPKPFQOOSA-N 413.297 1.879 30 10 HDEE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732464801 AQECRGQIELSJDB-FMQUCBEESA-N 413.478 1.191 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 749892353 AMAGVBYVEJXZJG-HIFRSBDPSA-N 421.276 1.860 30 10 HDEE O=C(O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 752814537 ILGMSPCZXAFXMR-UHFFFAOYSA-N 401.444 1.623 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 772361077 SOXYANYCRKVLFJ-JONQDZQNSA-N 401.467 1.558 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 772739097 BHXXTMPWEPPOGH-WTIFFKHKSA-N 406.483 1.807 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@@H]1CCCO1 773792549 DUDFEJDECYSWMD-KBPBESRZSA-N 409.236 1.471 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@H](O)c1ccc(C#N)cc1 780908036 NRTAPAOSWXHGFI-GOSISDBHSA-N 401.488 1.985 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CC[C@@H]2CCOC2)cn1 784123198 BNRNAGRUFUBJJW-CZUORRHYSA-N 405.524 1.930 30 10 HDEE C#CCN(Cc1ccc(C(=O)OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 793584570 PAPIPQVWBKTRIR-CQSZACIVSA-N 400.294 1.858 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 796991772 OTVTXIVCONQKNM-QWHCGFSZSA-N 404.471 1.357 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nc(O)n[nH]4)CC3)ccc2c1=O 798135239 CQKQRIWTCDRFCY-UHFFFAOYSA-N 412.475 1.715 30 10 HDEE COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798745778 VORIYAJNJYGUGZ-CHWSQXEVSA-N 401.423 1.318 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N(Cc1ccc(-n2cncn2)cc1)C1CC1 802267588 BUDJGVSUFOOUAU-QZQOTICOSA-N 406.446 1.675 30 10 HDEE CCOC(=O)N1CCC([C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804161150 BHNFUMYATYIEBG-ZDUSSCGKSA-N 404.442 1.687 30 10 HDEE CCOC(=O)c1cnn(C2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1C 804770063 RBLSUVUBYYAHER-UHFFFAOYSA-N 417.491 1.729 30 10 HDEE COc1cc(C#N)ccc1OCCOC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 805330916 YSQNMPQSICDZQO-UHFFFAOYSA-N 415.446 1.990 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(CN3CCOCC3)cn2)[C@H](C#N)C1 811042466 MVKCYXWGJHMLPG-SJLPKXTDSA-N 415.494 1.403 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)c1 916702759 JPGPWOYFFNANSK-LJQANCHMSA-N 411.483 1.576 30 10 HDEE CCCCCCC[C@H](C)CNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 918019641 QFVJJCUPYDUKDU-SFHVURJKSA-N 418.604 1.887 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1116572025 HGXJDRWDKRUSDI-SFHVURJKSA-N 408.520 1.899 30 10 HDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1127993928 DSTKTTYARPYBGY-IBGZPJMESA-N 403.446 1.810 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1135596661 GMDJQFYLBUGILQ-OAHLLOKOSA-N 416.950 1.691 30 10 HDEE CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCC1 1136671438 IFYBQPIHCUJIPH-WUKNDPDISA-N 418.494 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@H]1[C@@H]1CCCO1 1140193033 GKGMTSKBZVHUBK-JYJNAYRXSA-N 418.498 1.461 30 10 HDEE C[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C(N)=O)C1 1154942341 LPEZEZFHKOUVJJ-QAJKGHRQSA-N 404.511 1.886 30 10 HDEE Cc1c(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(=O)n(C2CCCCC2)n1C 1164378611 PROSPWJOVNXHGK-HNENSFHCSA-N 401.467 1.855 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)c1 1184548038 MICCAAAKJWURRZ-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1192848997 RASWUDOONOPKDZ-IYBDPMFKSA-N 402.513 1.959 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1193172308 UBSKBICRKALHTI-SECBINFHSA-N 407.261 1.394 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCOCCNC(=O)OC(C)(C)C)c1 1196798268 KCLSIUSWVLOEMR-UHFFFAOYSA-N 418.494 1.789 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1)C1CCOCC1 1207978581 RITXEFHZFNRLNR-YMGMXPECSA-N 406.508 1.951 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)nn1 1252077508 WPXFLPHQXZPDET-UHFFFAOYSA-N 416.482 1.522 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@]2(C#N)CC3CCC2CC3)CC1 1264743508 JJPHCQVDPHUXOF-BUNACBEFSA-N 404.511 1.902 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1286278687 PPWLCTYJESESEY-HZPDHXFCSA-N 415.469 1.874 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1286325358 XLVMPMVRBYHGFD-CVEARBPZSA-N 408.528 1.153 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1COCCO1 1286379345 OEYHLORVBAQXIZ-NRFANRHFSA-N 424.549 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(CC)CC 1286402273 BFXZWQVTIMJOAG-GOSISDBHSA-N 417.521 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cccc(C)c1 1286431772 RIOSOIUJXDUFBW-HXUWFJFHSA-N 405.502 1.983 30 10 HDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC#C 1286500034 NTSLJOJBOJGBHE-UHFFFAOYSA-N 417.560 1.631 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC2(C1)OCCO2 1286767677 DBDKXKWCNXNNFC-MRXNPFEDSA-N 400.483 1.917 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)c1nccs1 1286784987 ASHCUNZWEHJEHI-ZDUSSCGKSA-N 400.512 1.677 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286789692 VNRNYBCAUSQDBY-QFIPXVFZSA-N 424.505 1.039 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCCC2)C1 1286799217 UDEYVEZZNKWOII-MSOLQXFVSA-N 404.559 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)C1 1286808613 MFEIPNLOOLTHHV-BRWVUGGUSA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286820352 KBUSTHGJCLYMMM-VSZNYVQBSA-N 424.567 1.634 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2 1286828936 ATMCNCWXBFQVSY-CYBMUJFWSA-N 406.512 1.227 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1296621579 KYFJNRUOVLLTDV-SFTDATJTSA-N 420.558 1.638 30 10 HDEE CCOCCn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1297593201 CSFHWRJDISBARI-UHFFFAOYSA-N 400.531 1.852 30 10 HDEE CN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1298670338 BFAPBJUJHJFIAV-CVEARBPZSA-N 420.514 1.768 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1298775862 XYHDEKWHWYPVQL-LJQANCHMSA-N 419.507 1.103 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300424512 IVTDGVOHQSOPIX-NRFANRHFSA-N 418.542 1.584 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1300430732 PSDPKAAPIFXKOY-JKSUJKDBSA-N 410.588 1.468 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2c(C)cccc2C)CC1 1300698720 YXWVSJYUCUPKJW-LJQANCHMSA-N 422.533 1.680 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CC)nc1C 1300780890 YUBNSJHECHRXNZ-AUUYWEPGSA-N 420.539 1.788 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1Br 1300898407 FJTUDCVOILGQHV-UHFFFAOYSA-N 403.240 1.488 30 10 HDEE COC[C@@H](F)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1301060471 GITRCBQOYVKKNS-STQMWFEESA-N 413.413 1.307 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301175150 ZOUNPCFPEUDMSL-JKSUJKDBSA-N 421.571 1.972 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1301197399 SDSZYLUSGVRACZ-CYBMUJFWSA-N 400.549 1.205 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)N(C)C 1301302409 BUJSPYFMBWETGR-UHFFFAOYSA-N 403.512 1.030 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCOCC2)C1 1301567344 VOLXRHXIKCKCRS-HXUWFJFHSA-N 412.538 1.768 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1301576542 DGXCKIBOOWRPCR-CQSZACIVSA-N 423.926 1.511 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOCC(F)F)cc1 1302988937 FEYLQIBDOZJBBV-HNNXBMFYSA-N 404.421 1.800 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 1307978735 VJWGFQJHEWHNEY-DOTOQJQBSA-N 408.380 1.984 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)c1ccccc1 1309619489 VOZMZNQITYAGEW-UZLBHIALSA-N 413.455 1.403 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(OC)ccc1C(=O)OC)C(=O)OCC 1309762885 VMWJRYFKXYEOSQ-CYBMUJFWSA-N 405.856 1.834 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2)CCO1 1316535203 FTCSMEJCUFEAIC-HUUCEWRRSA-N 413.507 1.940 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359097570 QIZITRFLMIWQGB-ZOBUZTSGSA-N 422.555 1.529 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1359240064 FIKQBNNUTGWJPL-HNNXBMFYSA-N 411.553 1.537 30 10 HDEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1359242258 WKUDIKFBZCKJQV-UHFFFAOYSA-N 400.502 1.794 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1359286288 FYWFMKKRJUEOTP-UHFFFAOYSA-N 416.507 1.249 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359305265 XTMUGLROJWCZGB-UHFFFAOYSA-N 411.466 1.402 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cnc2ccccc21 1360206742 GNWHDDZZVALMEO-HXUWFJFHSA-N 410.457 1.908 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1443744693 OJDIIZLISBNQAB-RDJZCZTQSA-N 414.506 1.787 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 1448189669 VGFWKBZWYILQQZ-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 1452244544 KCRFBSYXZTWEBS-CYBMUJFWSA-N 401.160 1.690 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C 1452858538 KNGOOZUDBGEPPT-GOSISDBHSA-N 400.500 1.978 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)cn1 1455477641 YBRSVBXYIFUUHD-UHFFFAOYSA-N 419.272 1.734 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCN(C)CC1 1456169396 OEAQUDKQWBWGJW-IBGZPJMESA-N 419.547 1.314 30 10 HDEE C=CC[S@@](=O)(=NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1ccccc1 1456898000 UEANNULYFRRAMI-SANMLTNESA-N 410.521 1.637 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1457199672 VDQZNZHZKBWDRC-AWEZNQCLSA-N 419.482 1.364 30 10 HDEE Cn1cc([C@@H]2CN([C@@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1460273059 FXFRTXXUVNBERV-IPMKNSEASA-N 424.505 1.811 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1463852348 PABPRFMUFVRBSZ-DOTOQJQBSA-N 417.510 1.466 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1464127621 IGWYVTOWDFWPPQ-KBPBESRZSA-N 423.963 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)CC1 1467508804 OGXVNZKYSQGPIL-HNNXBMFYSA-N 403.483 1.867 30 10 HDEE COCC#CC(=O)N1CCN([C@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1467850896 CGRZKPJEZQRDHB-QHCPKHFHSA-N 405.498 1.838 30 10 HDEE CN1CCC2(CC1)CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1469762242 GHEIEAUWKOSGPK-LJQANCHMSA-N 411.506 1.560 30 10 HDEE N#C[C@]12CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1472191352 CBGAJLMVRZCBIJ-HZUKXOBISA-N 403.287 1.814 30 10 HDEE N#CC1(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CCOCC1 1472338742 FQEYRSUHSDNUSE-UHFFFAOYSA-N 417.853 1.873 30 10 HDEE CC(C)N(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)C1CCCC1 1473069335 OUKCJBHGMCKHLK-UHFFFAOYSA-N 418.494 1.403 30 10 HDEE CC(C)(C)C#CC(=O)N1CCC(OCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1487074591 XOTJVYLLDDPBQF-IYWGDAJJSA-N 402.535 1.973 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1496789878 DCDXCXHYJBGPTN-HNNXBMFYSA-N 422.555 1.371 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOCC(F)F)cn1 1503649628 BEXWNYHXWKJUGZ-INIZCTEOSA-N 420.468 1.527 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(OC)CCOC1 1503707887 GCGVAZVRVDRPKG-YCRPNKLZSA-N 412.494 1.441 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1504999687 OIIFHAVGINBHPG-AEFFLSMTSA-N 419.526 1.938 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507593389 ZTLHPDCVNLIUQE-ZWKOTPCHSA-N 414.554 1.375 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1507624558 BMTCAFUPFZDTQI-CVEARBPZSA-N 410.540 1.429 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1507626848 QEWIUHGEWBMUSX-QGZVFWFLSA-N 415.475 1.890 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1507675413 DEXCYQCKWPJMOG-QGZVKYPTSA-N 421.501 1.085 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCOCC)CC1 1507737876 CJXABDFFHMKOTI-IBGZPJMESA-N 417.554 1.955 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(O)CCC[C@H]2C)CC1 1507741532 WKLGYQUFVSRIFJ-IIBYNOLFSA-N 403.527 1.332 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1507751631 QHYXVYHQSFCMNL-HOTGVXAUSA-N 412.581 1.409 30 10 HDEE C=C(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507836549 OZDFPIGLMIRMNP-QINHECLXSA-N 408.499 1.255 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507840135 MRSGGUBXNZVMPF-INIZCTEOSA-N 420.539 1.403 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508081504 ZTFPHIODEURGRC-UHFFFAOYSA-N 410.457 1.436 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CCO1 1508378593 JAMKCQGPXBGWFR-IBGZPJMESA-N 421.461 1.118 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1517635901 CRCRPPCPMNGKTI-MRXNPFEDSA-N 406.450 1.383 30 10 HDEE CN(C)CCN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1=O 1530772170 SEFLJTPGFOQHED-UHFFFAOYSA-N 401.486 1.146 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)nn1 1532708091 XDKIQJFPRCYHPH-UHFFFAOYSA-N 415.397 1.028 30 10 HDEE CO[C@@]1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCS(=O)(=O)C1 1535382993 CUFLMIJLYOIPEF-LJQANCHMSA-N 401.444 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1538993479 LVLSMDJJFQIDTD-MRXNPFEDSA-N 424.530 1.987 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1539119108 SFHPMGDCTPZTKS-LAUBAEHRSA-N 409.467 1.949 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C2CCOCC2)C1 1539120390 UOGZDVAQZORRTR-QZTJIDSGSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1c(C)noc1C 1539162730 XXCYZZXPINJPBJ-UHFFFAOYSA-N 403.450 1.838 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1539221928 SQCGSGOMSKEBPO-GJZGRUSLSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@@H]1OC 1539232808 PSBMARXYKMOHMJ-IRXDYDNUSA-N 408.462 1.050 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539368967 FXGIAOSIIZEFII-HLIPFELVSA-N 422.551 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccnc(-n3cccn3)c2)CC1 1539482307 LBIHYAVAJRMRFU-UHFFFAOYSA-N 418.505 1.435 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1539916790 NWCVPAZYNQCQFY-HUUCEWRRSA-N 409.556 1.484 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1540853498 SRUCLAFJJVOQDO-HNNXBMFYSA-N 417.514 1.149 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1542111430 GDOPRKPXRXLTFI-JOCHJYFZSA-N 415.490 1.827 30 10 HDEE COCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1555565207 FOALQTNQQZFBTO-UHFFFAOYSA-N 404.478 1.504 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCOC[C@@H]1OC 1555728216 IRPUUAKNBXIFEW-ZBRFXRBCSA-N 407.515 1.792 30 10 HDEE Cc1cncc(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1557519797 IJQDQSJRRYDBNI-KRWDZBQOSA-N 415.519 1.597 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2C1 1561858296 YTVABDISUBABHB-KRWDZBQOSA-N 401.513 1.970 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1562811649 CLMQJHJAZVCZAR-LBPRGKRZSA-N 418.454 1.633 30 10 HDEE C#C[C@H](CO)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1569719008 YVQUJEXIWZATMC-SECBINFHSA-N 403.158 1.773 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1585417588 CNZDUFRVOBZVEI-KAIODVNGSA-N 419.570 1.525 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3CC[C@H]4C[C@H]3CO4)CC2)cc1 1585481722 XFZIXTUHWNQQDW-FHWLQOOXSA-N 417.531 1.890 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1586253912 FEPZAHNJPRGEOY-UHFFFAOYSA-N 421.454 1.705 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCOC[C@H]2OC)c1 1587692648 HMZQIFAHZXWFGE-PKOBYXMFSA-N 411.506 1.948 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793481 OBHSUWUTHZJITP-DENIHFKCSA-N 417.554 1.643 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1587909188 FZEBQLNESYLGGL-UGSOOPFHSA-N 423.564 1.507 30 10 HDEE Cc1cn2c(n1)C[C@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1588158164 QQNZIDGMBXWRPI-QGZVFWFLSA-N 413.503 1.159 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1conc1COC 1588186211 UZRLOTCTEKFUSA-NRFANRHFSA-N 413.478 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[S@@](=O)CC 1588251453 PDVVZOWFEJECNK-NDEPHWFRSA-N 417.560 1.501 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1588638316 RVJJMSFCSHFFFH-HNNXBMFYSA-N 420.514 1.182 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2)C1 1588969246 YYFQCBRLDBIKGG-SFHVURJKSA-N 416.595 1.945 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1588975224 FQFSSLWTXYIJIO-IBGZPJMESA-N 404.540 1.582 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1594803358 SPCXPYGZPGVPQG-IAGOWNOFSA-N 401.467 1.293 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1595302637 CMFTUMKTLVNWQW-HNNXBMFYSA-N 423.539 1.726 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1595475485 CUXUECUCHBBZRL-QGZVFWFLSA-N 401.515 1.422 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)C1 1595723014 PXAOBSUTRBGVCW-ROUUACIJSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1595760094 KHIWBVRBVKZRAS-UHFFFAOYSA-N 423.583 1.984 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(COCCO)CC1 1596593633 ZMUOQBWQFGXEIQ-CQSZACIVSA-N 406.907 1.385 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)/C=C/c3ccc(F)cc3)no2)cn1 1597272148 YQCJUGBFFHCQSQ-IEXSPKMKSA-N 411.393 1.792 30 10 HDEE COC[C@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1611072221 CDLMFQCBXXXWAK-HNNXBMFYSA-N 400.435 1.896 30 10 HDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1611083957 GGRRWDPRIIWTAT-KRWDZBQOSA-N 424.509 1.247 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)C1 1611246288 WVTXPSJJOCXFFT-REWJHTLYSA-N 421.416 1.846 30 10 HDEE CCc1nnc(N2CCC(OC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613981494 PZSNXWUQCARNPO-VHEBQXMUSA-N 402.499 1.761 30 10 HDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)c1=O 1615732719 SXMVXFMPSUUUJZ-SZMVWBNQSA-N 414.510 1.970 30 10 HDEE CN(C)c1cccnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1617671390 AKVZFHXUFFLEHR-UHFFFAOYSA-N 416.489 1.652 30 10 HDEE C#CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1618091382 UKXRCCIZAPEWOF-ILXRZTDVSA-N 416.565 1.139 30 10 HDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCC(F)F 1619406892 HJAFHHIUFQCVJK-CYBMUJFWSA-N 406.437 1.997 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1619770155 AONGKFCSZXSWQY-KDOFPFPSSA-N 406.874 1.510 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CS(C)(=O)=O)ccc2c1=O 1624550898 KCEASCGCVQHZHC-AWEZNQCLSA-N 421.544 1.911 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)c1 1625016292 QPJKSYRCJSRXED-SFHVURJKSA-N 400.504 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2[nH]c3ccccc3c2C#N)CC1 1625283143 TZXIOIZSAWZBHO-UHFFFAOYSA-N 411.462 1.849 30 10 HDEE N#Cc1c(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)[nH]c2ccccc12 1625655071 NHRIYUFOHAXOED-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE C#CC[C@H](NC(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1)C(=O)OC 1626187640 DIWBEEWAMOGVMS-INIZCTEOSA-N 413.499 1.870 30 10 HDEE CN(C)S(=O)(=O)N(C)CC(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1626783261 CAVGNPBLIPCLEC-UHFFFAOYSA-N 402.476 1.814 30 10 HDEE O=C(CCCS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CCN(O)C1=O 1628369779 BDAOJWYOCOZGIK-GFCCVEGCSA-N 405.270 1.109 30 10 HDEE C#CCSCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628385295 NFRICOLDBYCMJH-FUHWJXTLSA-N 410.561 1.417 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1630757452 DXYOBMNWDKECSJ-LSDHHAIUSA-N 408.499 1.731 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 1632394918 VKAXYXIWYIYFKQ-UHFFFAOYSA-N 408.263 1.187 30 10 HDEE C[C@H](C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)n1cnc(C#N)n1 1632865910 SPUXMACFQVSENI-PIGZYNQJSA-N 404.268 1.509 30 10 HDEE CCS(=O)(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1633156661 QQJLFPSCYICNJO-UHFFFAOYSA-N 414.325 1.794 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCC2)C1 1633495211 ZUICQLSKOSFPTO-INIZCTEOSA-N 404.536 1.592 30 10 HDEE N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1634921549 HFNMFOJWYDEMIW-UHFFFAOYSA-N 408.386 1.135 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1635495355 ZFPZFGXMKNZPKR-UHFFFAOYSA-N 413.499 1.915 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCN1S(C)(=O)=O 1636585812 ALNDUZIPZYTTDN-MRXNPFEDSA-N 419.551 1.198 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1636683351 CSNJHKXVERDWQU-SJORKVTESA-N 401.492 1.329 30 10 HDEE CC(=O)NCCNC(=O)CCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1638615990 AQPCSSAWHWFBAY-ZDUSSCGKSA-N 412.412 1.979 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1639240145 AGLIOJIUSLDWQG-RHSMWYFYSA-N 410.923 1.745 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)nn1 1639562179 WDDHYEYFVLTBFB-SFHVURJKSA-N 405.524 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@H](O)[C@@H](CO)C1 1642400404 DVCYWGDPZYSCRE-BPQIPLTHSA-N 401.463 1.204 30 10 HDEE C#CCN1CCC(C(=O)N2CCC(n3nnc(C(=O)OCC)c3C(F)F)CC2)CC1 1642441366 FAHIGQKSMSYWRS-UHFFFAOYSA-N 423.464 1.901 30 10 HDEE COC(=O)[C@@H](NC(=O)c1cccc(CNc2ncccc2C#N)c1)c1ccnn1C 1643544843 YGZCNGOXVVTZJV-SFHVURJKSA-N 404.430 1.943 30 10 HDEE COC(=O)[C@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1644839304 ULFCVGYGKDEKAU-OAHLLOKOSA-N 424.320 1.874 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC3(CCCC3)OC[C@@H]2CN(C)C)CC1 1647787805 NYFOKSXBICLFDO-VQTJNVASSA-N 405.587 1.254 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)C1(c3ccc(C#N)cc3)CCCC1)C2 1647805216 UJIVTWFLCUHXTB-SFHVURJKSA-N 406.490 1.769 30 10 HDEE COC(=O)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1648492261 OXSZFPVNVOUYCG-OAHLLOKOSA-N 421.519 1.601 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NC1CCN(CC#N)CC1)=NO2 1648544877 LEUMJENFECNXQK-UHFFFAOYSA-N 405.499 1.637 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(NC3CCOCC3)CC2)c1 1650838670 WDQBHHOVNWBNCA-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)c1 1656026681 MGMKFNVMPJBRBU-SFHVURJKSA-N 418.471 1.804 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1 1676030423 DHEVWUMZIOKTEY-KRWDZBQOSA-N 416.522 1.642 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1678736736 CEPPANLMWLJMPI-ZWKOTPCHSA-N 413.526 1.617 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 1684037339 XBKAGTBKDFRLPQ-SFHVURJKSA-N 406.527 1.361 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CCOC 1685845509 DTTOJHSVMOYFLG-HNNXBMFYSA-N 419.544 1.255 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1nccs1 1689959693 KEIFQYSYADIISX-UHFFFAOYSA-N 401.521 1.812 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCOc1ncccc1F 1690102039 ASRSGMSYLYDSOM-MRXNPFEDSA-N 403.458 1.871 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)CC1 1690364670 VIXDSTOCSKEZDJ-KBPBESRZSA-N 417.626 1.893 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690553687 CUVNMUMQCZEWAQ-IBGZPJMESA-N 406.508 1.337 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690670759 IJIBIFMSHMTUGM-OTWHNJEPSA-N 406.490 1.828 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1690725538 TZEVDUDUZLORDJ-UHFFFAOYSA-N 423.539 1.443 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1CCOC1 1692787348 YIBJIISUXXZPHK-HDMKZQKVSA-N 410.544 1.445 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1693547705 KDKLPCYNQIEZTD-YOEHRIQHSA-N 421.505 1.398 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1695692578 BUEMXJCJTCMYGA-HTXNQAPBSA-N 412.498 1.688 30 10 HDEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1=O 1695798496 KBODUIBMNVYNRG-YWZLYKJASA-N 418.473 1.674 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1697046272 ZWUOKQXIKLJTRV-QZTJIDSGSA-N 411.462 1.622 30 10 HDEE COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1697882948 KUIAEJYETXTXTF-YOEHRIQHSA-N 414.466 1.267 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)CCO1 1698492174 CCELGDHVZPFKQR-GJZGRUSLSA-N 416.507 1.425 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCn1cncn1 1705551651 CETWITSBSQEBAY-UHFFFAOYSA-N 414.514 1.754 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC1(O)CCOCC1 1705577130 VDIZBULSKRHUBC-UHFFFAOYSA-N 409.446 1.858 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCCCO2)CC1 1705631347 BDDIMIPDBBSUIO-GOSISDBHSA-N 400.527 1.229 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1705639997 AWVSXPPMRBFMRP-UGKGYDQZSA-N 401.555 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC=C)C1CC1 1705898650 SIXWHPOVMSBREG-UHFFFAOYSA-N 405.466 1.378 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N 1706970223 BITWURCDXIWGRR-AWEZNQCLSA-N 410.482 1.996 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1709902767 ZBNCWZVSZLKVIX-IRXDYDNUSA-N 407.478 1.010 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)C1 1711274020 MGKZJMLJOYCABN-ROUUACIJSA-N 405.865 1.502 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1712615562 LDEIWXGYYDRKDF-LJQANCHMSA-N 424.505 1.681 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1712845886 LHJLFFOGMHRUJU-VBQJREDUSA-N 423.477 1.419 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722287295 LSZBMWQGFZLLJT-MJGOQNOKSA-N 409.538 1.741 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@H]1OC 1722353503 PHIIYWMVELKKTB-WMLDXEAASA-N 408.462 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2n1 1722371026 QWRUZESNLNIPDW-UHFFFAOYSA-N 401.474 1.477 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1722381096 HRACVVLAGMXCOB-HXUWFJFHSA-N 416.529 1.401 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@H]1C(C)C 1722418847 FQYRBUJISLHVLM-ROUUACIJSA-N 405.543 1.954 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1ccc2c(c1)OCCO2 1722427950 AAQQJCIOVBWUFU-SFHVURJKSA-N 412.490 1.882 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC(C)(C)O)CC1 1722437582 GXDRLHCIAGOJEY-UHFFFAOYSA-N 421.505 1.510 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1722616936 DIHBMWAEPDAXAS-SJORKVTESA-N 412.556 1.777 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726890040 UVFIIUBGEUGJOP-LTDXQCTPSA-N 402.499 1.791 30 10 HDEE Cn1cc(CCCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1729576360 JUWCHFHGYYLMAW-SFHVURJKSA-N 422.449 1.948 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN2CCCO)CCO1 1731188380 FOLDKBGCERBJOJ-IRXDYDNUSA-N 414.485 1.660 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cccc(C)c1 1740609284 NEVFIZVCCNCBGR-UHFFFAOYSA-N 420.473 1.814 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740625603 RJLIWLXUHRERLN-RDJZCZTQSA-N 422.576 1.840 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(C)n(C)c1=O 1740686756 LVLKCEUAKNIPDF-UHFFFAOYSA-N 406.490 1.405 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)SC)CC1 1740704028 GEJNNIMXVLXWHA-CQSZACIVSA-N 401.540 1.396 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1740776720 YXNFQZGRAUKASA-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740849101 YQPCLLKJRMFDIG-SFHVURJKSA-N 418.586 1.985 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@@H]1C 1740963780 XBKLMKKDYHVPAR-ZDUSSCGKSA-N 420.564 1.514 30 10 HDEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1743857840 FCFPNGYUCQWXQY-VQIMIIECSA-N 422.537 1.761 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1748107688 XODNTBYFFWZRGP-QGZVFWFLSA-N 407.522 1.897 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1748639373 GDUWCVQESQMPJF-GJZGRUSLSA-N 405.524 1.712 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1748731652 IMXMJXXUFWRWGX-ZYSHUDEJSA-N 407.540 1.309 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1748809618 OUTBUSYFHSHTPX-SFHVURJKSA-N 410.503 1.354 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(SC)CCC2)CC1 1748971145 FEGIQWASOOSACC-UHFFFAOYSA-N 402.568 1.555 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)nc2)CCO1 1750387429 YPCDILBMTJKDJB-AWEZNQCLSA-N 424.852 1.751 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)n1 1760205050 NETXBKFWSYIXJY-UHFFFAOYSA-N 413.489 1.351 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1760225375 OMBTUSJEGDVQJH-HNNXBMFYSA-N 423.514 1.908 30 10 HDEE C=CCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760433977 XPFBNRWCFOWMEU-SFHVURJKSA-N 404.559 1.739 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760441872 XNHWZQPMVYLFSQ-GOSISDBHSA-N 418.567 1.996 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCOCC1 1760491377 FEXJQGFZRBJYRZ-UHFFFAOYSA-N 422.493 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ncnn1CC(F)F 1760523415 XJELCNSKMWSIIJ-UHFFFAOYSA-N 405.413 1.068 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@@H]21 1760526135 FODBAQYOOYVVKE-KGLIPLIRSA-N 400.508 1.561 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)CC2CC2)C1 1760545275 RECVMVILEOQGCC-INIZCTEOSA-N 405.524 1.879 30 10 HDEE C=CCSCCn1c(N2CCCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1760568844 UXXTUDBENPYUHJ-UHFFFAOYSA-N 401.602 1.967 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1760607048 LKSQDXNWKLNNKC-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1761217140 GUTFRPSQYDZZLB-IFXJQAMLSA-N 400.462 1.317 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1767943403 DNPMLUGSOGSHSU-UHFFFAOYSA-N 421.465 1.387 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(N2CC[C@@](F)(C#N)C2)nnc1C(C)(C)C 1768432155 HQGMQPYEMSMPGL-IIBYNOLFSA-N 419.549 1.960 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1770051777 PSSIWLXRBIGQDQ-YFHUEUNASA-N 407.515 1.934 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1772842528 KMBOGWOIMMUVLT-YASQENCXSA-N 404.496 1.513 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)CC1 1849679651 VAVLDVFLNZLGNP-UHFFFAOYSA-N 417.531 1.851 30 10 HDEE C[C@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)N1Cc2ccccc2C1=O 1851539685 MAPVRCHNJFHCIQ-QGZVFWFLSA-N 419.485 1.663 30 10 HDEE C[C@H](COC(=O)c1ccc(Cl)cc1N=CN(C)C)N1CCS(=O)(=O)CC1 1851560927 LIHVTBQBWNQAPQ-CYBMUJFWSA-N 401.916 1.837 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)cc1C 1852497595 RRWYFSXPTFJZEG-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE N#CCCn1nc2c(c1NC(=O)c1cc3n(n1)CCC[C@H]3N1CCOCC1)CCC2 1853156731 ZVHJONQMROQPKC-GOSISDBHSA-N 409.494 1.901 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1=O 1853827813 GCQIOMKYMBNJGV-QZTJIDSGSA-N 405.445 1.744 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cncc(Cl)c2)C1=O)[C@@H]1CCN(C)C1=O 1854224924 PTARCDUHIGPWQU-DLBZAZTESA-N 404.898 1.975 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C)nc2C(F)F)CCN1CC(=O)c1ccc(C#N)cc1 1855188819 AYUBAGUWRSTYDU-GFCCVEGCSA-N 415.400 1.785 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1855688937 VYTIEJJPUAPCEP-GOSISDBHSA-N 415.515 1.590 30 10 HDEE N#CCCN1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)C(=O)C1 1856068299 DDWOUPNGWLKJBG-UHFFFAOYSA-N 409.412 1.901 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)CN2CCCS2(=O)=O)c2ccccc2N1CCCC#N 1856318380 TXFQZPGIEBALMG-OAHLLOKOSA-N 404.492 1.484 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)C3CC4(CC(=O)C4)C3)C2)C1 1856389447 SSDZDIRHPVTFFN-CQSZACIVSA-N 408.458 1.151 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCN(C(=O)COc3cccnn3)C2=O)CC1 1856467888 AADVFTUGMZGZRP-KRWDZBQOSA-N 406.446 1.129 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ncccc3Br)C(=O)C2)C1 1856871646 APORHXAAIHQWMD-AWEZNQCLSA-N 407.312 1.779 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccnc2OCC)C1)[C@@H]1CCN(C)C1=O 1857055424 FDEVRRHGSJSRFQ-FUHWJXTLSA-N 414.506 1.578 30 10 HDEE Cc1ccc(OCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1857077337 FRWXIXDRBDVOEE-KRWDZBQOSA-N 402.428 1.793 30 10 HDEE Cc1cc2nc(C(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)cc(C3CC3)n2n1 1867171385 RLJHSKYDKSWFQH-QGZVFWFLSA-N 404.430 1.516 30 10 HDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929468 HTCAWPOIPLISFW-SFHVURJKSA-N 412.515 1.110 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cccnc3Cl)cc2C1=O 1870158268 YJWXVMNRMBFNFZ-UHFFFAOYSA-N 407.777 1.665 30 10 HDEE C=CCOc1cn(CCCCCO)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870385643 GUEXQRUPIHCJGZ-UHFFFAOYSA-N 407.511 1.850 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871260203 FEDPZFQOHNGJTI-UHFFFAOYSA-N 411.462 1.400 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)CC1=O 1874566027 GTCZIKBMVWXONJ-KBSHCFNASA-N 423.520 1.810 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3cccc(OC)c3)C(=O)O2)cs1 1891215522 MFCHNHXQSQWYNR-CQSZACIVSA-N 416.459 1.823 30 10 HDEE C#CCNC(=O)CNS(=O)(=O)c1cc(Br)c(C)cc1Br 1962765886 VVHANBWHYDHYPV-UHFFFAOYSA-N 424.114 1.548 30 10 HDEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985101489 SZPGENSTKZIODE-NSHDSACASA-N 408.264 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@H]2NC(=O)C#CBr)CC1 2006269369 RTSIAZRFTGDMIP-ZIAGYGMSSA-N 400.317 1.932 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)s2)CCO1 2118167502 BGRORAXRSJUUJF-VXGBXAGGSA-N 401.510 1.970 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2188791225 PRNIFNQNZZVEQH-HZSPNIEDSA-N 403.501 1.554 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(S(=O)(=O)CC2(C#N)CCC2)C1 2188796630 GIRZGROKFKKZAV-CHWSQXEVSA-N 401.485 1.452 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ncccc1B1OC(C)(C)C(C)(C)O1 2217468980 GUYHKEZADOODNT-CQSZACIVSA-N 422.287 1.826 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247834952 DICJOFIQINAGCG-UHFFFAOYSA-N 422.291 1.304 30 10 HDEE CC[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247838200 DXEZDSMXPZYJRC-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE Cn1ncc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255543997 RTIPTHHDNIWXNO-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE C=CC[C@]1(CN)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272085273 QIEPRUIFTATLPR-VQTJNVASSA-N 423.510 1.568 30 10 HDEE COC(=O)CCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282317201 NQJDAZVBTZEXMF-UHFFFAOYSA-N 403.331 1.587 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@]2(C)CO)OC1(C)C 2282336806 BUIKMCMHHLONJX-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CN(C)C1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCC1 2282419198 NPVVGKWQCXLRSX-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H]1OCCO[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282422596 DFJWQHWPIRBPJB-WCQYABFASA-N 403.331 1.130 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC(=O)N(C)C)c1B1OC(C)(C)C(C)(C)O1 2282498012 XUEIUTOMKVOIGI-UHFFFAOYSA-N 402.347 1.031 30 10 HDEE C[C@H]1[C@@H](C)NCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499375 CKELAGROAPTLNU-OLZOCXBDSA-N 400.375 1.559 30 10 HDEE CS[C@@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282508562 XXVOVSVUXPJNOV-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC(F)(F)C[C@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848461 NSKBTHSVOWZHKL-LLVKDONJSA-N 411.301 1.732 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCO)C(=O)[C@@]12C 2297591295 JMPDRRXDKWDBFQ-NRFANRHFSA-N 401.415 1.541 30 10 HDEE COc1cccc(C(=O)C=CC(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 2320934271 YTLPNUAXSGMPHN-UHFFFAOYSA-N 402.428 1.898 30 10 HDEE COC(=O)CSc1nnc([C@H]2CCCO2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330971233 JWKOCTHZCQVUAK-GFCCVEGCSA-N 422.463 2.000 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H]2C2OCCO2)n1C 2362565466 FGCGLJGAPJCIHI-CQSZACIVSA-N 405.304 1.395 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2363924511 ZZINZUAPHLKPMM-GJZGRUSLSA-N 415.581 1.973 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C12CCC2 2365197295 UWXNZMOMCHSXPO-KUHUBIRLSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365209786 HTKTYOFJTQYZJX-IFXJQAMLSA-N 401.525 1.828 30 10 HDEE COc1[nH]c(=NCc2nn(C)cc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365348357 PFQZSFPJOIXFQM-UHFFFAOYSA-N 423.120 1.919 30 10 HDEE CC(C)(C)OC(=O)NCCC1CC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367811179 FULQADUZOGDNTA-HVEKOLDVSA-N 400.541 1.340 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367812008 OJEYEOCUUADOED-YZVOILCLSA-N 400.541 1.306 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)CCN(C)C(=O)OC(C)(C)C 2367818576 VULYKERQLGXZIE-HOTGVXAUSA-N 402.557 1.553 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367833237 HSRGQMHFOZXJQD-JYJNAYRXSA-N 402.557 1.442 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2370681330 NHOLKZZPJTVZIE-RBSFLKMASA-N 400.541 1.291 30 10 HDEE CCOC(=O)c1ccc(C#N)c(S[C@@H](C)C(=O)NC(=O)NCC(F)(F)F)n1 43793725 CVFXJFDCGXGBNU-QMMMGPOBSA-N 404.370 1.999 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 71530390 SQKOBKIZXDWGGV-UHFFFAOYSA-N 412.508 1.860 30 10 HDEE CN[C@](C)(C#N)Cn1cnc(I)c1I 306427349 ZGHNAEWATPKZKN-MRVPVSSYSA-N 416.004 1.594 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 410213889 IDRYXQQTJUSOEZ-VQIMIIECSA-N 420.535 1.829 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(c4nc(C)ns4)CC3)cc2C1=O 464686901 NIWAUYHMPFCAIS-UHFFFAOYSA-N 411.487 1.981 30 10 HDEE CCc1cnc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 466326214 ORHUTOPGVPNZFS-UHFFFAOYSA-N 419.532 1.793 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2ncsc2c1 476406672 NZBTZWJSHRCAGW-LBPRGKRZSA-N 400.489 1.857 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 481785849 VCSRHZRUEBWWST-FUHWJXTLSA-N 404.536 1.702 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C#N 497674163 NOEOSSLHPIJQGQ-UHFFFAOYSA-N 418.500 1.803 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500926682 QUWNUTUABNTUDA-OAHLLOKOSA-N 411.483 1.929 30 10 HDEE COCCOc1ncccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504939460 PTYBGWHLAHTMMR-QGZVFWFLSA-N 423.429 1.822 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 524422058 XBGAWVYTJIVDCZ-GJZGRUSLSA-N 404.517 1.710 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 543075072 CFDJOFSBCDZPSB-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546918418 LNWQKECESASYSC-UHFFFAOYSA-N 421.440 1.137 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(Nc3nc(C)cc(C#N)n3)CC2)cc1OC 557598558 ZFEJBRDSYMCNSF-UHFFFAOYSA-N 417.491 1.939 30 10 HDEE CC(C)Cc1nnc(NC(=O)CN(C)C(=O)CNC(=O)c2ccc(C#N)cc2)s1 561319016 FOPASYYFEYFQOS-UHFFFAOYSA-N 414.491 1.435 30 10 HDEE COc1cccc(S(N)(=O)=O)c1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 582740186 IKWORQKXPJAMTR-UHFFFAOYSA-N 401.853 1.668 30 10 HDEE Cc1ccnc(N=c2ccc(=NCCNS(=O)(=O)c3ccc(C#N)cc3)[nH][nH]2)c1 585420321 STDAWAKKBZAMNQ-UHFFFAOYSA-N 409.475 1.030 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)c(F)c1 585710932 SSFFBWUBZFTYPK-UHFFFAOYSA-N 410.449 1.462 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 609091482 ZJDVGCWGHJSVLW-UHFFFAOYSA-N 411.506 1.160 30 10 HDEE CCN1C(=O)[C@H]2CN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CCN2C1=O 610616031 CTBSDUXYQNQKRQ-PKOBYXMFSA-N 411.506 1.907 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 611377079 ASVRANJWHNWJMU-QFBILLFUSA-N 406.552 1.433 30 10 HDEE CN1CCN([C@H]2CC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)CC1 613078189 KDBCYXSNQLONMA-BGYRXZFFSA-N 418.563 1.148 30 10 HDEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c(OC)c1 619569760 IZRCJCHVPVRYQF-SFHVURJKSA-N 421.457 1.425 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1cccc(Br)c1 727447912 BYWJFOJCRKLNBL-WGPYJDKQSA-N 418.334 1.872 30 10 HDEE C#CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCS(=O)(=O)C1 731213608 HQHAPQUCKVQBJF-INIZCTEOSA-N 424.569 1.836 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732468109 CEGHCAKLIGIOEW-PVEMMZBWSA-N 407.471 1.164 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 733200712 KBXHGGFEGLVKPS-HNNXBMFYSA-N 403.508 1.113 30 10 HDEE C[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 745044204 FXTQVYPZURWRPS-LBPRGKRZSA-N 404.398 1.334 30 10 HDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN(c2ccccc2F)C1=O 746253363 KMIAFMFATPNXBN-AMGRQBIBSA-N 400.410 1.306 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3CCN(C(=O)C(F)(F)F)CC3)cc2C1=O 746310962 FWQQKTKXVCWXFI-UHFFFAOYSA-N 423.391 1.999 30 10 HDEE C[C@@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 751399082 VJCPQUXOCIWZAU-ZDUSSCGKSA-N 401.492 1.633 30 10 HDEE C[C@H](OC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 751576550 NPKCVLPVKUEOCO-CABZTGNLSA-N 404.448 1.357 30 10 HDEE CC[C@H](C#N)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 753422619 XQLRJNLKEVMNLX-GFCCVEGCSA-N 403.254 1.648 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1 763925716 MMUJFYSSNXPYNA-HNNXBMFYSA-N 408.480 1.552 30 10 HDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 774821556 XTSPBTSKOMHLEY-LBPRGKRZSA-N 407.414 1.528 30 10 HDEE CN(CC(=O)Nc1nc2c(cc1C#N)CCCC2)C1=NS(=O)(=O)c2ccccc21 776349749 FUEUDOQOCIWBPC-UHFFFAOYSA-N 409.471 1.851 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3OC)c2=O)c1 776752652 IXCGNFNSFNMHOL-UHFFFAOYSA-N 404.451 1.646 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776910186 QSOZYRAJJSHQEI-INIZCTEOSA-N 410.515 1.442 30 10 HDEE Cc1cc(C(=O)OC[C@H]2CCCN(S(C)(=O)=O)C2)nn1-c1cccc(C#N)c1 786476550 HVZZHCWTPHKLJT-INIZCTEOSA-N 402.476 1.881 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@](O)(CN(C)C)C3)ccc2c1=O 788206723 BYPVBPTVKBARII-HXUWFJFHSA-N 402.520 1.400 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ncc(C(=O)N3CCOCC3)cc2Cl)n1 788558346 GEVGUQQTEASBBU-UHFFFAOYSA-N 417.897 1.690 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2)n1 788695192 GRANYAWECYTSCY-UHFFFAOYSA-N 421.475 1.149 30 10 HDEE Cc1cnn(CCOC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 791555118 RZPWWKZZQJRNGM-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)C(=O)C1 793860283 CULXDOHJHBZCMY-KRWDZBQOSA-N 413.478 1.637 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccc(F)cc1 794893945 SHNYFACYCRAMEC-GOSISDBHSA-N 417.462 1.414 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812263117 NVJDTFWWGOWOLU-JKSUJKDBSA-N 405.499 1.835 30 10 HDEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(F)cc1 812749433 OOJNIJKQOIVUMV-YVEFUNNKSA-N 403.435 1.082 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c1 914494804 UBERVODYLOFVLG-UHFFFAOYSA-N 405.520 1.319 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)Cn1cncn1 917255873 IIZZEKNCPIEQHS-HIFRSBDPSA-N 404.496 1.080 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1132491816 VXGWGXIGJUMLNR-VQTJNVASSA-N 409.483 1.670 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1141827695 RFJAJMGNAPWNBU-UHFFFAOYSA-N 412.396 1.538 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1 1141948823 CPNANNFSKSFSMQ-MJGOQNOKSA-N 406.360 1.534 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)C[C@H]1CS(=O)(=O)C2 1156670496 UNCBDPCQKZJMNP-HZMBPMFUSA-N 407.801 1.693 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C1CCN(OC)CC1 1161073265 FKFWTPPYROLFJT-KRWDZBQOSA-N 422.551 1.768 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCS(=O)(=O)C2(CCC2)C1 1178547274 FZXMOISCTVMFBK-INIZCTEOSA-N 415.519 1.767 30 10 HDEE CCN1CCN(C2CN(C(=O)COc3cccc(Br)c3C#N)C2)CC1 1178917047 IBXAFGSMJPIPBB-UHFFFAOYSA-N 407.312 1.548 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 1233851345 GOKSNFKWKAPXSV-GJZGRUSLSA-N 422.507 1.648 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1251416279 GNTOCDMMLUOCDL-SFHVURJKSA-N 411.483 1.772 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1286275643 SZWSCSKGJSWVOD-CYBMUJFWSA-N 402.886 1.408 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286338569 NCUCVQRYYZHNIP-SFHVURJKSA-N 424.505 1.512 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1286350070 UJIGQYZADWBLRQ-SJORKVTESA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1286376452 CUUHZDWDBJYFBZ-SFHVURJKSA-N 406.465 1.817 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1286483476 MDQFKIIEWIAGLW-QFIPXVFZSA-N 414.554 1.097 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccsc2)N(C)C)CC1 1286488935 YQNGKYRAGPKFPV-SFHVURJKSA-N 400.552 1.917 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286514541 KCTZCOPXHFRPRF-HUUCEWRRSA-N 404.496 1.765 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1286622060 BQGWAGVBPIPNDI-CQSZACIVSA-N 407.883 1.830 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286774464 PNCCKJPYRSXNBD-INIZCTEOSA-N 422.511 1.346 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC(C)(C)C1 1286778773 ATEUBOILAUDFAA-UHFFFAOYSA-N 423.315 1.953 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CNC(C)=O)CC1 1286789842 XWEDFTSCFUJXMO-UHFFFAOYSA-N 424.549 1.832 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(O)c2)C1 1286809012 GBGFXQZHKDFZAB-FUHWJXTLSA-N 418.519 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCSC2)C1 1286818422 ILIIWHXEAKNDCY-SFHVURJKSA-N 422.580 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccsc1 1286819102 ZXXCVAPSRRKOMQ-UHFFFAOYSA-N 406.537 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CC(C)C 1286820290 IWGMMKZJDVCYMZ-OAHLLOKOSA-N 418.585 1.263 30 10 HDEE CC/C=C/Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1293694512 KPUCJZXKXINVFP-NFBGWVBBSA-N 405.462 1.887 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)c1occc1C 1297157744 RQZDRNJXMNCEIE-LJQANCHMSA-N 404.446 1.978 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)cc1OC 1300077143 LVJGRZMFQOCARO-INIZCTEOSA-N 417.466 1.090 30 10 HDEE C#CCCCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300339561 OXMPJYNVSXOLHV-SFHVURJKSA-N 423.583 1.836 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300404290 WRLDJQLUZNTAIZ-QGZVFWFLSA-N 409.556 1.446 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300498093 GOWGOZJCLMUYBS-MJGOQNOKSA-N 416.547 1.839 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC=CCO1 1300569520 NHKUZMKOUOEYAI-HXUWFJFHSA-N 414.473 1.729 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1snnc1C 1300578715 GVDJXLAWAHTOSA-UHFFFAOYSA-N 409.475 1.677 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ncc(CC)s1 1300648720 INHDQEKBDISSCI-UHFFFAOYSA-N 416.551 1.862 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C(C)C)CC1 1300700587 SNPIGTYWXMVXQC-GOSISDBHSA-N 402.543 1.090 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)C1 1300889265 BMAGQQVVBWBZDA-KSSFIOAISA-N 402.524 1.551 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1301079179 AXLYWVZDAWWGGS-LJQANCHMSA-N 424.553 1.834 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(C)=O)CC1 1301422296 GDSBJBSTJPPYMT-KRWDZBQOSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Br)nnc1N1CCOCC1 1301492160 YWLHDVBCJBEBNW-UHFFFAOYSA-N 406.284 1.846 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1 1302925096 WKCYPCFAJJOTGF-UHFFFAOYSA-N 424.482 1.720 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c1 1303903442 OHWLAVJSTCYGLJ-CQSZACIVSA-N 410.467 1.517 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1304753765 GYSPFSYPBYAHBW-MAUKXSAKSA-N 421.502 1.016 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)C1 1306652580 UGSHHCHVHNKCRP-RBUKOAKNSA-N 400.479 1.376 30 10 HDEE C[C@]1(C#N)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 1308114468 OSRXTVIADCFHFK-IBGZPJMESA-N 406.508 1.414 30 10 HDEE N#C[C@]12CN(CCC(=O)Nc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1308128074 KKLGQUJDLPUOLE-BLLLJJGKSA-N 412.309 1.648 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccccc2OC)C1=O 1312280996 XOYPHKBNNZPSKB-HNNXBMFYSA-N 401.463 1.787 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1F 1312866957 XYNBNEKMHVMVSV-INIZCTEOSA-N 422.416 1.904 30 10 HDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1313491710 DDBIHDZDKUBRTG-AWEZNQCLSA-N 422.493 1.457 30 10 HDEE COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1315859760 CVOSEWGHJLVGGJ-CABCVRRESA-N 420.539 1.821 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1316112038 VHJOINHIAYOREE-HXUWFJFHSA-N 412.450 1.406 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC2)CCN1C1CC1 1332145241 PKALSRVKZXWKAS-NVXWUHKLSA-N 422.493 1.138 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc1Cl 1355509842 FLHRGCGXWRUALX-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1358935071 WDNAHMKGKVPKQM-UHFFFAOYSA-N 417.535 1.661 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@H]1C 1358948628 GWOLZTVRRAUNHM-GOSISDBHSA-N 424.553 1.242 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1OCCOC 1358975865 HJRWOVZVZLOMQM-UHFFFAOYSA-N 402.458 1.881 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359034249 JKMVMVMOZVEMLH-IBGZPJMESA-N 408.554 1.611 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCn2cc(Cl)cn2)CC1 1359037179 YVRDYSXXTLZFSW-UHFFFAOYSA-N 410.913 1.569 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@H]1CC 1359340988 IIOXZRDJTUGAKG-CQSZACIVSA-N 418.523 1.640 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1360475435 AQXPMIJLNZFALD-HOCLYGCPSA-N 403.508 1.867 30 10 HDEE C#CCO[C@@H](C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1441909106 ATZGTXRTSJXMMH-HNNXBMFYSA-N 404.463 1.959 30 10 HDEE Cc1ccc(C(=O)N2CCC(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1445453259 WKSAVWZKJORCAA-UHFFFAOYSA-N 407.341 1.943 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1445834040 RGJODAPJIZUSJY-ZBFHGGJFSA-N 420.462 1.578 30 10 HDEE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1453390104 KLWLRZNVOFOKPU-JLTOFOAXSA-N 418.519 1.718 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Cc3nc(C)no3)C2)c1 1456495538 OTFJFEVLOQPIJU-OAHLLOKOSA-N 402.476 1.384 30 10 HDEE C#CCC1(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CCOCC1 1462837748 CQZKVOUTZIXAQC-UHFFFAOYSA-N 404.264 1.848 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1464995491 XFWQZOFSMIFFDH-MRXNPFEDSA-N 407.492 1.736 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(OCC(N)=O)CC3)C2)C1 1465478462 PKGWSUNLNSJIRC-FAGJFJLWSA-N 420.510 1.266 30 10 HDEE C[C@H]1CS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466907562 DJNXJUXUIZLDGP-MLBPIDQTSA-N 411.524 1.419 30 10 HDEE N#Cc1cn(CCC(=O)NOCc2ccc(F)cc2Br)c(=O)nc1O 1466940685 WFDBWAHZRWNGKD-UHFFFAOYSA-N 411.187 1.360 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(O)C1=O 1468374749 WQZKWTJXVWYHDE-CWRNSKLLSA-N 407.467 1.591 30 10 HDEE CC1(C)C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(F)cc2O1 1469485266 AOEZWJMLDNSXAS-OAHLLOKOSA-N 413.409 1.828 30 10 HDEE C#C[C@@H](NC(=O)NCC1CN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1469908408 MNMSLBXGOOSFOV-CQSZACIVSA-N 400.298 1.314 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1 1471105214 KPLHDARGKLCMKP-HZUJVAHNSA-N 419.547 1.761 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)N(CC#CCN1C(=O)c3ccccc3C1=O)CC2 1473263387 UDTTVEPRIJFKAC-UHFFFAOYSA-N 423.494 1.599 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N(C)CC(=O)Nc1cccc(OC)c1 1473620907 SAPGHRYNAXGPDP-UHFFFAOYSA-N 403.479 1.369 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1475619829 RRALMTLBWLFOGC-CQSZACIVSA-N 405.476 1.948 30 10 HDEE CCCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1500642400 QHGKQIRWPVNHNR-HNNXBMFYSA-N 418.523 1.815 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCSC2)CCOC1 1502727911 DSRDYVAKPUCADW-FRQCXROJSA-N 407.540 1.802 30 10 HDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1503256667 JUPRRLPZTAYTQA-LBPRGKRZSA-N 408.484 1.179 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1504992939 BHAWLIPWBJNXGU-AEFFLSMTSA-N 420.558 1.994 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1507617279 RSYUATUYGFFAQK-SOKVYYICSA-N 420.560 1.176 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1507669872 UOTFZOWCBJVFTG-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCCn1cnnn1 1507677479 ZWALFMUXSPNACV-UHFFFAOYSA-N 408.441 1.536 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1507712185 SLLFVRHUFHFSOH-GOSISDBHSA-N 401.511 1.901 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnccc2OC)CC1 1507718427 DMPUTYZYHIGCNS-KRWDZBQOSA-N 414.510 1.209 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(OC)nc2OC)CC1 1507725417 VRMGUWOAVUZBKU-UHFFFAOYSA-N 419.489 1.556 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cnn(CCOC)c2)CC1 1507731112 ATHLVDPERCAEFX-LJQANCHMSA-N 413.526 1.166 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)C(C)C)CC1 1507738824 ZTVOBSZFNWJIIS-OAQYLSRUSA-N 411.510 1.108 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCOCCOC)CC1 1507884753 LYPQSKITNQFVMK-KRWDZBQOSA-N 412.556 1.780 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1507934999 LMNTZDKHDINWFF-OAHLLOKOSA-N 411.528 1.425 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1507980530 BJCHIGQNXKOKGW-QGZVFWFLSA-N 401.515 1.257 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1508039612 JRJPGKPRZKNYAA-LJQANCHMSA-N 424.498 1.273 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1508095573 YBUCTXPSYIPXQK-INIZCTEOSA-N 416.501 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC1CC(F)C1 1508143367 YDJURUOMOXFVFM-HWOWSKLDSA-N 400.520 1.957 30 10 HDEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1516960216 LUANIJVSDPESSJ-LJQANCHMSA-N 417.445 1.316 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1519486088 HHQJGNFIORMSFO-KRWDZBQOSA-N 416.507 1.077 30 10 HDEE CC(C)[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)N(C)Cc1nnc2n1CCC2 1524935127 XQJBBRBUJKERFA-INIZCTEOSA-N 415.885 1.557 30 10 HDEE N#C[C@]12CN(C(=O)CCCNC(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1537005362 DYJDHXXWJYHLGU-KBXCAEBGSA-N 409.895 1.247 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C 1538379511 GKQUSXASVSSEDU-UHFFFAOYSA-N 423.517 1.981 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1nnnn1CC1CC1 1539022637 QBNJYALHPXXTCK-OAHLLOKOSA-N 406.494 1.780 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1539217004 ZCESNWWCTMWIAN-IRXDYDNUSA-N 420.539 1.120 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539223166 ZIPOZJIMJIYBBF-WMZOPIPTSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1ccnc1 1539273283 NLLGLHBSBVXARY-UHFFFAOYSA-N 413.485 1.707 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(C)(C)n2ccc(NC(=O)OC(C)(C)C)n2)CC1 1539703000 UJVQGFXZVPIXLI-UHFFFAOYSA-N 417.510 1.953 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1541118523 BZXMAYJDZGKEBC-ZWKOTPCHSA-N 417.558 1.497 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1541236924 DTAJEJUVTGOPAF-SPYBWZPUSA-N 417.493 1.715 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1541261738 BWFALUUYWJVGIT-GOSISDBHSA-N 421.505 1.400 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1541638449 XHIUCFINSHOFMQ-OAQYLSRUSA-N 409.494 1.403 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1541694019 YDDJIOKCLLRNQG-GOSISDBHSA-N 412.494 1.583 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1541798275 GBGVKXAQLFJGFR-INIZCTEOSA-N 401.515 1.117 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1541803016 BGYIRJNYTFHQQT-QWQRMKEZSA-N 407.496 1.419 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCN2CCCS2(=O)=O)C1 1541991451 ADBGWIBOZXZPAZ-CRAIPNDOSA-N 408.528 1.295 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCC(=O)NCc1cccnc1 1546218757 QVWKJIRSTZEGEE-MRXNPFEDSA-N 403.483 1.791 30 10 HDEE Cn1cccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(N)=O 1548369313 YAUSHFOXNBILRS-MRXNPFEDSA-N 405.380 1.732 30 10 HDEE CS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1555805154 DDRAFRQQQRYWDL-UHFFFAOYSA-N 417.495 1.100 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3CCc4c(C#N)cccc43)cc2)[nH]1 1557102265 DGDVXQNJOMUSTR-UHFFFAOYSA-N 402.410 1.956 30 10 HDEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1c1ccncc1 1558130927 CHGVBGXHJVLCSC-AWEZNQCLSA-N 402.451 1.869 30 10 HDEE CS(=O)(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1565809601 PTWKYFGBTLNQDN-VXGBXAGGSA-N 402.469 1.209 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 1568141639 AROKJBOYVLNGCU-IEBWSBKVSA-N 405.516 1.781 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)cc1 1568585090 GKWLCWLQARQFDF-UHFFFAOYSA-N 405.414 1.821 30 10 HDEE CC[C@H](C#N)N(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1585342311 FOMYUCTWRLSONQ-CABCVRRESA-N 405.476 1.774 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587746599 ZJHXBKPBOBICML-UHFFFAOYSA-N 418.567 1.853 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1587803466 BTVOZMCIARJLKZ-INIZCTEOSA-N 415.498 1.879 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1587922289 YASJIVIDCPTGHW-OAQYLSRUSA-N 404.559 1.027 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588064445 IFTCSCWXRSAWIR-IBGZPJMESA-N 419.595 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1588149477 UJLSQJSVJLWWCJ-INIZCTEOSA-N 400.479 1.516 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1C 1588574688 PVSJGADIXNHEOG-AWEZNQCLSA-N 411.553 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H](C(C)C)N1CCOCC1 1588620588 YEZODFUVIZNYTG-LJQANCHMSA-N 400.527 1.716 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)c(Br)c2)nn1 1596216880 TZWPPZAPZFYDMZ-UHFFFAOYSA-N 411.237 1.532 30 10 HDEE Cn1ccn2c(CNC(=O)c3ccc(OCc4ccccc4C#N)cc3)nnc2c1=O 1596830147 ICPWLHLIBOUUTA-UHFFFAOYSA-N 414.425 1.809 30 10 HDEE Cc1cccc(N(CCC(N)=O)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1598120698 GNVJRCQESPCTSM-UHFFFAOYSA-N 403.435 1.954 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)nn1 1598174426 HAQKCSNCVCUQOI-JTQLQIEISA-N 418.251 1.528 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1606624359 FIXVQHOCYVUUTH-HNNXBMFYSA-N 400.458 1.774 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@H](C)OC)CCN2C1=O 1615674987 AUYFJIZTPPXJRK-WMLDXEAASA-N 423.477 1.324 30 10 HDEE C#CC[C@@]1(C(=O)NCCCN2CCCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1615925846 PKXMWEQDTSLZGN-QFIPXVFZSA-N 406.571 1.923 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(N3CCCC3)CCOCC2)c1 1616654568 QRCLWOXEXMFDLJ-UHFFFAOYSA-N 404.532 1.858 30 10 HDEE C=CCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1617224530 BDWWAFXWIHMXOX-RTWAWAEBSA-N 415.534 1.776 30 10 HDEE CC[S@](=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1617448201 WPUJKQNULFYNIV-LJAQVGFWSA-N 415.567 1.937 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1619825408 QSWMLHTWGCJVNL-OAQYLSRUSA-N 412.494 1.857 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 1619904963 MXENXGCYZJUBSB-DLBZAZTESA-N 402.491 1.950 30 10 HDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 1622395692 HDRQWIADKMIQTD-GOSISDBHSA-N 403.458 1.234 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1624981557 UEQOUPXYZXRYLN-HOTGVXAUSA-N 404.467 1.869 30 10 HDEE COC[C@]1(C(=O)NCc2ccc(OCC#N)cc2)CN(C(=O)OC(C)(C)C)CCO1 1626726359 LUUAOALJGMLQLN-NRFANRHFSA-N 419.478 1.858 30 10 HDEE CN(C)CCOc1ccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1629102337 GXZNSYIXDMUXQJ-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)c3ccccc3C2)c1 1634676992 HDCHVFHMKLBILX-UHFFFAOYSA-N 417.508 1.913 30 10 HDEE CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc21 1635597233 KDPQJBIOUVLXAC-VHEBQXMUSA-N 412.446 1.923 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)n1 1635721100 DXTJCELGBCCUGI-UTKZUKDTSA-N 420.510 1.252 30 10 HDEE CN(C)CCN(C)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1637214558 LTLYESURANOPTR-UHFFFAOYSA-N 422.371 1.757 30 10 HDEE C[C@@H](CC(=O)N1CCc2cc(Cl)nnc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1638989161 ILPPLAUSTUMGAT-NSHDSACASA-N 419.894 1.532 30 10 HDEE Cc1nc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)sc1C(N)=O 1640151599 HXLIKUJTYULVJM-UHFFFAOYSA-N 406.508 1.817 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 1641363321 AGPLQCLWESEJHX-UHFFFAOYSA-N 419.445 1.038 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3ncccn3)C2)s1 1644868027 HPTNAUWRWPHUIU-CQSZACIVSA-N 406.533 1.951 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1648904935 NUMDJEKQUUNFKP-GUYCJALGSA-N 405.451 1.556 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1653661807 BTOHJKXUJTWFGS-MSOLQXFVSA-N 402.495 1.871 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3nnc(-c4cnn(C)c4)cc3C2)c1 1654391327 ZKORMNCDPNKIPW-UHFFFAOYSA-N 415.457 1.565 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)C 1655637656 SBCPEYKRWJJASJ-UHFFFAOYSA-N 422.507 1.161 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CCCF)CC2)CC1 1659656322 MDVHPZMWHVFXRL-HXUWFJFHSA-N 405.493 1.512 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccnc(N2CCN(C)CC2)c1 1661418378 HAJQJWQHRVLVTA-UHFFFAOYSA-N 403.483 1.631 30 10 HDEE C#CC[C@@H](NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1663796307 GCJLDZCENFESMI-GOSISDBHSA-N 422.503 1.520 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1670588918 RWBYHKLVEJVEMB-IBGZPJMESA-N 408.520 1.947 30 10 HDEE CCOC(=O)[C@H]1CCCN(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1670759228 HDMJFBQQORXSJL-KRWDZBQOSA-N 420.535 1.637 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc(Br)cc1 1674030457 GXAXJHDXPBFUJY-INIZCTEOSA-N 407.312 1.539 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 1677238884 COAMSZWECNGUQP-KRWDZBQOSA-N 400.460 1.889 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)nn1 1683314939 CUXMNLXVGBILRG-NRFANRHFSA-N 409.538 1.566 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2cnccc2C#N)CC1 1685654139 KEFPOWXTUFCDPT-OAHLLOKOSA-N 409.450 1.303 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C(=O)Nc1cc(C)on1 1686164993 LKLMSHOONUTVNB-NMNMXBMNSA-N 402.451 1.151 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689835516 NXGWLAHAKOLNLN-AYAKEVCGSA-N 420.473 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC 1689851391 PXCGPRFCMSDQTK-DOTOQJQBSA-N 401.490 1.895 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1689873774 WJHNWZIYPHZVPP-KRWDZBQOSA-N 402.543 1.961 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1689910330 CYUWABOCMQGNBZ-FQEVSTJZSA-N 402.499 1.641 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1689985789 BLTBKYXBWRTHDD-QGZVFWFLSA-N 417.535 1.520 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCS(=O)(=O)C1 1690009080 VUKUXDLTMLCZAQ-AWEZNQCLSA-N 403.895 1.501 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N(C)C2CC2)CC1 1690128357 BLKGQYRVFHGBNU-MRXNPFEDSA-N 413.595 1.872 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)C1 1690675216 SEPYOCNFMWXAJQ-CYBMUJFWSA-N 420.564 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1C(C)(C)C 1690731268 GCWPELDXYFJOTM-SFHVURJKSA-N 411.528 1.207 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1696664783 DCJULZWITHTTIG-ZDUSSCGKSA-N 421.383 1.803 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705505058 GLLJSSPRPOHPCB-SOUVJXGZSA-N 414.514 1.684 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1705559703 FCMPDLSTJWXPRQ-GOSISDBHSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1705571262 XYRFFZCMXSHPCQ-NVXWUHKLSA-N 419.576 1.642 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1705639880 YOSVXYUETSMIOC-PMACEKPBSA-N 402.587 1.904 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCNS(C)(=O)=O 1705676107 MXGHCAVEIFMADR-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1705821207 OIKHLSQNYPHJLQ-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705898919 CAEODCXUCBUXEI-HNNXBMFYSA-N 405.524 1.425 30 10 HDEE CC1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1708139047 JVINSLBHNHMCHD-IBGZPJMESA-N 412.542 1.919 30 10 HDEE CCN(CC)C(=O)CN1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1710000289 XFKBZUOCEQHFPY-UHFFFAOYSA-N 413.526 1.905 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1712487427 WRVSWELZYBSMHX-JOCHJYFZSA-N 423.521 1.063 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722308102 GENISJFJTHZCKK-BBWFWOEESA-N 410.588 1.611 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1722325280 ICAJUBHHCMLNAH-UHFFFAOYSA-N 412.450 1.562 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722335724 YBLPXUOXPGHPOO-IBGZPJMESA-N 408.506 1.505 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1722625169 OPCJQJZCXJKQCJ-SFHVURJKSA-N 415.542 1.430 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CCN1CCN(C)C(C)(C)C1 1722678202 XAWNAJUQFBCYOF-UHFFFAOYSA-N 415.586 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccn2)CC1 1722725208 MAZRQKQXJCFRIX-UHFFFAOYSA-N 405.528 1.119 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1722730998 AHEGMCRZYPJNRL-ZWOKBUDYSA-N 424.567 1.910 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CCC2)CCOC1 1728778057 DQQCTALDFZLUEA-OLILMLBXSA-N 421.567 1.971 30 10 HDEE Cn1cc(Nc2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1729579967 SERUHJHZVAJHTA-HTXNQAPBSA-N 404.434 1.949 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCSCCCO)CCN1C1CC1 1731190334 PYVMMTGBOBNUCF-INIZCTEOSA-N 401.540 1.565 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1740532379 DXVRNHKSODNECY-ZNMIVQPWSA-N 405.528 1.120 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740576153 SEPSWOWOCWUVGW-OALUTQOASA-N 415.538 1.803 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCNC(=O)C1CCC1 1740589965 DPVDWXDUBRJYJV-KRWDZBQOSA-N 421.567 1.336 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740610331 XEROPVPOXQEPPA-LSDHHAIUSA-N 401.433 1.505 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1740670350 LDWCHBXEMONLHN-UHFFFAOYSA-N 420.510 1.407 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1740672889 YPRRETCREFZQMN-UHFFFAOYSA-N 408.553 1.129 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740742845 CZXYUIIIHYHRNY-OAHLLOKOSA-N 423.359 1.807 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1740869037 ZFAONYRFYZDBQU-IAGOWNOFSA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC(C)C)C1 1740954882 IFSMFKZJWGWFKC-IBGZPJMESA-N 424.505 1.749 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740993959 LARKCXFFBRXJPK-MRXNPFEDSA-N 408.528 1.490 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740995670 UESNPOVGDFEIEL-LJQANCHMSA-N 404.540 1.292 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1741296897 QVSJCWBOFOGFGC-AWEZNQCLSA-N 418.448 1.648 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1Cc1ccc(C#N)o1 1741946396 HLNAOXWSOCQREK-CYBMUJFWSA-N 420.495 1.018 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2CCN(C(C)=O)CC2)CC1 1748993620 FTFNNCXERCCPIO-UHFFFAOYSA-N 421.549 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1749015216 APRCQBTVKKLIAQ-OALUTQOASA-N 415.538 1.248 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1749831115 WEQYDPULDHYFGO-IAGOWNOFSA-N 405.499 1.692 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1760099323 DWYZPTLUAKNKMF-QRWLVFNGSA-N 403.483 1.959 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1760239194 ZJNCLTNPGLDRJR-ZCNNSNEGSA-N 419.570 1.818 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@@H]1C[C@@H]1C 1760247906 VEAYQBGWYUPOQI-GOEBONIOSA-N 402.524 1.905 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCCO2)CC1 1760256166 FFPQWEXALABYJJ-NQIIRXRSSA-N 403.527 1.255 30 10 HDEE C=C(Cl)Cn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760380383 AIOQFTFDGVNICH-BETUJISGSA-N 410.906 1.738 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1760514916 OLUNMLQDXVLZQP-GDBMZVCRSA-N 406.531 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760519278 YGHDFWUQBHWEFC-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760543364 RVGQKDNXERXXKJ-NVXWUHKLSA-N 409.556 1.608 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1c(C)noc1C 1760555935 QTYITIILHCLXPA-OAHLLOKOSA-N 409.512 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1760559954 WPBFBTKJTJGIKW-HZMVEIRTSA-N 424.567 1.695 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1OCCC1(C)C 1761473426 PVVHAIFLQRANCL-GDBMZVCRSA-N 424.571 1.833 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1763253907 XABXDQLOSQXWCV-AEFFLSMTSA-N 423.521 1.490 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1764378444 HMDOLQYGOAUJTJ-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1767552254 ALVNVIQIDPPBRX-KUHUBIRLSA-N 422.555 1.082 30 10 HDEE COC1CCN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1769073583 DYKOJGDRRIMATR-QZTJIDSGSA-N 418.542 1.748 30 10 HDEE COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1771276668 IAXSDYLAGWMICK-HXUWFJFHSA-N 401.515 1.933 30 10 HDEE COc1cccc(CN2C[C@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)c1 1850693807 VIBKWUKDWQLVLE-OAHLLOKOSA-N 401.426 1.919 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N([C@@H]3CCc4ccccc43)C2)c(C#N)cc1C#N 1850722377 AJBSQOSUAXSJDG-FUHWJXTLSA-N 401.426 1.730 30 10 HDEE COc1cccc(CN2C[C@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)c1 1850793625 BSBPBOGWBTXZMF-CQSZACIVSA-N 413.455 1.309 30 10 HDEE COc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nc2c(OC)cccc12 1851824413 JNXGPLGPQWZPJU-UHFFFAOYSA-N 404.430 1.876 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 1853613837 XIKFKSJBUGSEBA-HXUWFJFHSA-N 402.454 1.757 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)CCN3CCCCC3)C2=O)CC1=O 1854103751 IGYKKSKBDMHJLV-MOPGFXCFSA-N 404.555 1.346 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(Cc3ncnn3C)c3ccccc32)CC1=O 1854275902 FPKMCJBUBFSCKA-OAHLLOKOSA-N 408.462 1.120 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1854357341 XNJYEJQUZWHKSJ-SJORKVTESA-N 407.467 1.419 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(F)c3)C2)cc1 1854402028 WVECECLCUWVXQZ-SFHVURJKSA-N 404.419 1.929 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCCN(C(=O)[C@H]3COCCO3)C2=O)CC1 1854824799 NJTUDMSVNUJIIV-RTBURBONSA-N 412.490 1.456 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3ccncc23)CCN1CC(=O)c1ccc(C#N)cc1 1855140792 BBYXMFHUWWVNSS-CQSZACIVSA-N 402.414 1.157 30 10 HDEE C=CCC[C@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C1 1855301417 PCEKNNXSHRXVLP-JSGCOSHPSA-N 408.480 1.727 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC(S(=O)(=O)Cc3ccccc3)CC2)C1=O 1855786243 FFDFHMBSWCFZLM-IBGZPJMESA-N 417.531 1.887 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1C 1855982008 OJCFYUATDLYENZ-KRWDZBQOSA-N 405.476 1.965 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)CC2=O)cc1OC 1856197230 MMTLBTDLMNWFIC-LSDHHAIUSA-N 414.462 1.030 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)CC2CCCCC2)C1)C1CN(c2nccnc2C#N)C1 1856266431 IBRNKELUPJPVIG-KRWDZBQOSA-N 410.522 1.814 30 10 HDEE Cn1nccc1C(=O)N1C[C@@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1=O 1856623844 FNWLISATXFQZCW-QGZVFWFLSA-N 407.474 1.824 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3c(=O)sc4ccccc43)C(=O)C2)C1 1856872376 QNXVIZZHZKBMGV-MRXNPFEDSA-N 414.531 1.384 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc3ccccc3cn2)C1)[C@@H]1CCN(C)C1=O 1857263440 GNANGAPLJXECJQ-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)C2)c1 1858310250 UDRIRBZOPGQEFM-MRXNPFEDSA-N 422.407 1.690 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@H]2CO)=C(N)Oc2c1c(C)nn2C 1865227104 AWXWELWCOOQVHD-HNAYVOBHSA-N 424.501 1.971 30 10 HDEE N#CCCN(CC(=O)O)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1866340286 NYKWRZBPYRUHJL-UHFFFAOYSA-N 422.235 1.652 30 10 HDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870519178 HBQJQJDSOKFOKI-UHFFFAOYSA-N 424.545 1.519 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(OC)c1OC 1874445358 XCZDSVWEFGDECY-IDTCLIEOSA-N 421.479 1.615 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 1877496376 QSYZPCOFZYYREA-RNONLVERSA-N 406.530 1.088 30 10 HDEE N#Cc1cc(F)cc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882498561 YRSXYLQUVSHYCK-QGZVFWFLSA-N 420.418 1.992 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3c(C)noc3C)CC2)CC1 1889313309 FLOKXAYVNBJUKT-UHFFFAOYSA-N 402.539 1.482 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3ccnc3C3CC3)CC2)CC1 1889996979 PIUSITSDWSFTTQ-UHFFFAOYSA-N 413.566 1.409 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)CC1 1891295028 IYTFONZDJSMKCQ-AWEZNQCLSA-N 412.475 1.259 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC(CC#N)CC1 2046023649 UNBMXCYKDQICEO-LJQANCHMSA-N 407.467 1.966 30 10 HDEE Cn1cc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Br)n1 2074367878 OPGSEESALLPHAT-WCQYABFASA-N 413.320 1.627 30 10 HDEE C[C@H]1O[C@]2(C(=O)ON3C(=O)c4ccccc4C3=O)C[C@@]1(NC(=O)OC(C)(C)C)C2 2241400664 XSTOLQDDENAXAR-HDZZMESHSA-N 402.403 1.956 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247865157 QCCCVTFEKWFZOP-STQMWFEESA-N 422.287 1.601 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247914896 SGYPNEWYJTYMAT-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247937788 PKIYEECJEAJXSG-BTYIYWSLSA-N 420.315 1.763 30 10 HDEE Cn1ncc(C(=O)NCc2nccn2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2255829414 OSOPGQFUEVWUEP-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CSC[C@H]1CC(=NO)C2 2257973884 NJDZLZQHBKHATF-ZIAGYGMSSA-N 423.516 1.413 30 10 HDEE C#CC[C@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258950146 RPWFOUKNZYHMAR-DLBZAZTESA-N 408.476 1.272 30 10 HDEE CN1CCN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CC1 2279040045 ISKXRCCURCTDAH-UHFFFAOYSA-N 400.737 1.575 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282021614 AVNXDVQFXCPIMH-DZGCQCFKSA-N 403.288 1.389 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282147083 IYAODBDKJWLDQP-QDXKXIGTSA-N 400.375 1.965 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]4CNC[C@H]43)cc2Cl)OC1(C)C 2282305364 XXZOGTHTSHGDPO-CKYFFXLPSA-N 418.777 1.587 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345243 ZBJOQYOIONZJSS-IUODEOHRSA-N 401.359 1.377 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCCN2CCSC[C@@H]12)B1OC(C)(C)C(C)(C)O1 2282501041 RHJNNFUPKWIIBJ-CABCVRRESA-N 402.391 1.673 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@H](O)C2)OC1(C)C 2282501264 VEQHRPNCDWYEIK-NEPJUHHUSA-N 402.347 1.165 30 10 HDEE CC(C)(CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CS(C)(=O)=O 2282635369 WWUJCBQFQABGLY-UHFFFAOYSA-N 401.359 1.848 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(C)CC[S@](C)=O 2282838371 NMHAKJIBZYQFEH-VWLOTQADSA-N 401.359 1.293 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2282847893 GELURKHBOBLQRO-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCCc2nncs2)OC1(C)C 2282855494 FOGNJBHJHRGIMH-UHFFFAOYSA-N 415.371 1.810 30 10 HDEE CCSC1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CC1 2282857944 PCOOHJWCVMUZPT-UHFFFAOYSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@]2(=O)CC[C@@H](CN)C2)OC1(C)C 2282869765 IBMRLYWGUHVAKX-JPQMIFPKSA-N 420.387 1.183 30 10 HDEE C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395321 KDEXWCYHABBCOO-PWSUYJOCSA-N 401.315 1.531 30 10 HDEE C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs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c1cccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)c1 65115461 OVBQJFMCNWXEGS-UHFFFAOYSA-N 412.427 1.973 30 10 HDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 71530644 OMFRFDHSQYHEPV-ZDUSSCGKSA-N 409.489 1.810 30 10 HDEE C=CCn1c(SCC(=O)N2CCOCC2)nc(=O)c(Cc2ccccc2)c1O 103834077 AONWNJQJDYXLQD-UHFFFAOYSA-N 401.488 1.677 30 10 HDEE C#CCn1ncc(NC[C@@H]2CN(Cc3ccccc3)CCO2)c(Br)c1=O 311987185 DUNNTKFOILABLD-MRXNPFEDSA-N 417.307 1.952 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2sccc2S(=O)(=O)NCc2ccco2)C1=O 410106426 JSKUPXCJEFRGRJ-CQSZACIVSA-N 423.516 1.679 30 10 HDEE COc1ccc(NC(=O)c2cscc2C#N)cc1S(=O)(=O)N1CCOCC1 432040524 OFQXIPBKVVHRPK-UHFFFAOYSA-N 407.473 1.902 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)n(C)n1 446935719 HIMUHOUGIKMUBK-SFHVURJKSA-N 408.510 1.496 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@@H](C)OC)nnc12 461288026 ZWUOJHACZBVKRW-CHWSQXEVSA-N 401.492 1.862 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 471882594 CEJKUZPZSPXOFS-UHFFFAOYSA-N 402.886 1.977 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](c3nnc4ccccn34)C(C)C)CC2)c1C#N 472114690 GXKWDZNXWDDXJZ-GOSISDBHSA-N 421.509 1.872 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](c3nnc4ccccn34)C(C)C)CC2)c1C#N 472114691 GXKWDZNXWDDXJZ-SFHVURJKSA-N 421.509 1.872 30 10 HDEE CN(C)C(=O)CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)CC1 473198076 QKYMNWGXBXHULT-UHFFFAOYSA-N 417.579 1.923 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1 479890124 MWNBSVWSIYGFDQ-HZPDHXFCSA-N 410.565 1.643 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cnc21 499434448 UJIREUIQGUJABJ-CYBMUJFWSA-N 414.219 1.791 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cnn2C)c1=O 505664341 SOZFENCZFYNBAL-UHFFFAOYSA-N 419.510 1.031 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 506185325 AGLSEKDMIFLEEP-RTWAWAEBSA-N 414.462 1.619 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 508496572 ZSZNAAOSPZOVOC-HOTGVXAUSA-N 409.556 1.814 30 10 HDEE C[C@@H](CC#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 512047525 WQPJLTWFJGFTAK-JTQLQIEISA-N 402.270 1.221 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)CC1 538052534 UYJPUNNBYXNFGQ-UHFFFAOYSA-N 400.401 1.921 30 10 HDEE COc1ccc([C@@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c2nccn2C)cc1 538081759 LIGVTFUKGZCEOM-QGZVFWFLSA-N 421.461 1.922 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548883276 FJXLCWLVDHWNSX-UHFFFAOYSA-N 401.492 1.794 30 10 HDEE COc1ccc(-c2nnc(SCC(=O)N3CCN(C(=O)CC#N)CC3)o2)cc1 573238646 OWTYMGVSYJTOCV-UHFFFAOYSA-N 401.448 1.422 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(C)C 589188342 NPQSQHSCUSFROX-PMACEKPBSA-N 406.571 1.965 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 593279070 LKEACPGZBFCVFS-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE CCCC[C@@H](NC(=O)NCC)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610917874 GMLISCDCFKQFJJ-OAHLLOKOSA-N 402.499 1.950 30 10 HDEE C#CCN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 732062064 OVWJZHAXBHGJDC-RXVVDRJESA-N 402.560 1.979 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1 732155464 BRMKBFQGUQBOEO-DIGCTUSJSA-N 412.446 1.081 30 10 HDEE CCN1CCN(c2ccccc2NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732234017 PUUFATBQOBTCOK-VXPUYCOJSA-N 412.494 1.476 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCc3ccccc32)CC1 732286832 YRCSQBLWRYHQLH-XMMPIXPASA-N 416.525 1.684 30 10 HDEE CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665355 YXNBXPBSZTULGH-RBUKOAKNSA-N 401.486 1.848 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@H]2CCCO2)C1=O 734296041 MPSALTCXFLIXSR-WBVHZDCISA-N 416.503 1.821 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CCN1C1CC1 749240045 KUTUFATVMHMQLL-JKSUJKDBSA-N 418.523 1.324 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c1 751633704 GGFXLKVDIDTNJM-AWEZNQCLSA-N 423.447 1.629 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(SC(=O)N(C)C)cc2)c1=O 753063023 ZEGMLNBLVSAOCD-UHFFFAOYSA-N 402.476 1.366 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H]1CN(Cc2ccccc2)CCCO1 758133446 BLLGNAADNPGWHN-SFHVURJKSA-N 400.504 1.909 30 10 HDEE Cn1c(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nnc1-c1ccccc1 771310384 MNNXHGNXNQBMOH-UHFFFAOYSA-N 411.443 1.264 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)c(OC)c2)c1=O 772279968 SZBQDXXAKCOUGQ-UHFFFAOYSA-N 412.511 1.746 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 774228047 LNPAJYJYMDEMLB-GDBMZVCRSA-N 423.922 1.667 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 774262525 KEJZRFUENDFDSG-RCCFBDPRSA-N 409.939 1.917 30 10 HDEE C#C[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)[C@@H]1CCCO1 775334488 ZTCOFYFYYYESGB-HIFRSBDPSA-N 407.264 1.862 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1 776142299 KVIVGTRUUZOVAK-GFCCVEGCSA-N 401.510 1.036 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)OC(C)(C)C)cc2C1=O 784957580 DENKTKJKDHRTBL-UHFFFAOYSA-N 402.403 1.083 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(C2CCCCC2)C1=O 785871799 HFPJXMCXNYUNIF-HEWTWTGNSA-N 403.483 1.136 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cscc2Br)c(=O)n1C[C@H]1CCCO1 795186751 BQQAPWCWIHDQIP-GFCCVEGCSA-N 422.329 1.939 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)cc1 802585148 VCHIOLBNRAJUKA-MRXNPFEDSA-N 407.417 1.932 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(O)(c4ccc(F)cc4)C3)C2=O)cc1 802623908 STLKTOBVQLNPSU-SFHVURJKSA-N 422.416 1.632 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCCCSCC#N)C1=O 805509185 VLUAAVGVTMRZQD-IBGZPJMESA-N 405.476 1.961 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCn2cc(Br)cn2)n1 805838234 PXWLESYIKACMGA-UHFFFAOYSA-N 409.288 1.334 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)[C@H]1CCS(=O)(=O)C1 806460937 VXBROHICNQMMEI-HIFRSBDPSA-N 409.489 1.027 30 10 HDEE COCC[C@@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 810164167 ATVGFSSQGYUIHM-MUNYZGMTSA-N 412.512 1.672 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2ccccc2F)CC1 810268926 NWYUMNLSSHDXSS-UHFFFAOYSA-N 416.478 1.761 30 10 HDEE C#CCN(C(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 812561139 DSRSKAFFISTWLY-PKOBYXMFSA-N 402.516 1.913 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(C(=O)c3ccc(C)cc3)CC2)c1=O 917488040 BJELVOSGQOUYJL-UHFFFAOYSA-N 424.501 1.405 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1125382718 NZCBQXNEPXLYKF-UHFFFAOYSA-N 416.283 1.534 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(CF)CCOCC3)CC2)cc1 1129339886 NOUIQHHMHSVIBF-UHFFFAOYSA-N 409.483 1.594 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1130626948 PJOLKCXIUZZCDO-QGZVFWFLSA-N 420.531 1.891 30 10 HDEE N#C[C@]12CN(C(=O)Cc3c[nH]c4cccc(Br)c34)C[C@H]1CS(=O)(=O)C2 1134428936 HVEWZLCQERBYCM-YVEFUNNKSA-N 422.304 1.870 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1134547424 QXKQPIWPTVOFJQ-IBGZPJMESA-N 407.426 1.593 30 10 HDEE N#Cc1sccc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1141668848 CRZFVXXQFIGIBH-UHFFFAOYSA-N 417.472 1.348 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCCC)NC(=O)OC(C)(C)C)CC1 1144029126 ZDHLFBCVGUWVHM-KRWDZBQOSA-N 408.543 1.354 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1146248008 SILFXAPNARAOIA-UHFFFAOYSA-N 402.447 1.173 30 10 HDEE C=CCC[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1157761142 RDNAFRFKOAZYLY-WCVJEAGWSA-N 416.540 1.100 30 10 HDEE O=C(C1CS(=O)(=O)C1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157806895 GAISSVXZRJLDKT-BQBZGAKWSA-N 401.275 1.660 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)cc1 1164019312 RAGAEBZHVVCRQT-HNNXBMFYSA-N 400.456 1.460 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N(C)c3ccccc3S2(=O)=O)c1 1166321283 MKLNHVFNSHHCLX-UHFFFAOYSA-N 412.427 1.577 30 10 HDEE CN1CCC2(CC1)CN(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CCO2 1171480418 SJCSFAMEUQLKDM-SFHVURJKSA-N 417.579 1.254 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)n1 1175838332 OJIFJYDVFMAQOW-ZBFHGGJFSA-N 404.423 1.049 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)CC1 1222410981 PGMGDQRRWXDPRM-INIZCTEOSA-N 408.524 1.396 30 10 HDEE C=CCn1cc(CNC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 1225336259 XNSBKERWDMDGER-UHFFFAOYSA-N 418.523 1.364 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)NCC(=O)NCC(=O)NCc1ccccc1)C2 1255242780 QJPSATSTUBVVQI-UHFFFAOYSA-N 419.485 1.253 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1286383022 KWNJORQCOSVFII-INIZCTEOSA-N 416.503 1.924 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286399029 XBOZYOQNTIXEPR-BBWFWOEESA-N 422.551 1.571 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC[C@H]1CC 1286465712 RCXJBHRTJBHOFA-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCOC)CC1 1286485585 QTAWFAPYMQWMTH-RTBURBONSA-N 419.570 1.615 30 10 HDEE C=C(C)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286598470 LPJGBCXDCBVYIA-APWZRJJASA-N 412.556 1.908 30 10 HDEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286683512 SMHRTZQFIWNRLW-MRXNPFEDSA-N 403.531 1.767 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1286773484 OZBUUQZQQOCONW-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCOC1 1286791518 UWIDMCJBERMNJO-YJBOKZPZSA-N 413.478 1.566 30 10 HDEE CC(C)C(=O)N1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1287110330 PAPZJQZVPXEJSZ-MRXNPFEDSA-N 412.494 1.990 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1Cl 1288168786 AREGKVFBROIOPX-ZDUSSCGKSA-N 419.873 1.272 30 10 HDEE COC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1288916782 ZGLVURYNQFNVQT-JQHSSLGASA-N 414.462 1.321 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1289683483 MFIGARKZOLCKGS-UHFFFAOYSA-N 403.464 1.614 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccco1)N1CCCC1)c1cc[nH]n1 1290049501 BURANRSRRLYJJO-HNNXBMFYSA-N 403.439 1.240 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1290687805 UEPGKQAHUNIAIM-JEJOPICUSA-N 401.482 1.953 30 10 HDEE CN1CC[C@@](O)(Cn2c(N3CCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)C1 1298884403 BHCLPUVUGWNRAM-QHCPKHFHSA-N 423.565 1.840 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC[C@@H](F)C2)CCO1 1299137345 FDJIKBQPECLQSD-JQHSSLGASA-N 412.469 1.906 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300432633 MPCRDHWWVPEVMC-KKSFZXQISA-N 410.478 1.723 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)c1cc[nH]n1 1300439304 AJNUIFDWXVBUTO-UHFFFAOYSA-N 415.461 1.558 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H](c1cccs1)N1CCOCC1 1300458495 IPUHVXLXNDDFSL-IRXDYDNUSA-N 401.536 1.986 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCO[C@H]1C 1300475447 KCMJYVASTASUIS-HRAATJIYSA-N 400.479 1.865 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1nccc(C(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1300483455 JYWYFPKIKSJDFG-CYBMUJFWSA-N 424.477 1.804 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 1300671822 QMBMLDDOAXQMSM-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2c(C)nn(C)c2C)n1 1300681319 MTCMAIAWALGNKE-UHFFFAOYSA-N 410.526 1.722 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2CCCCCC2=O)CC1 1300696036 RLGCMJHLGOMEAU-UHFFFAOYSA-N 423.565 1.832 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCOC2)C1 1300741052 LDCSLKYHOSSPSV-LPHOPBHVSA-N 410.540 1.364 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CC1 1300882256 HOKIFZSAWTWVJQ-KRWDZBQOSA-N 424.505 1.538 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300949389 VYXVJOICUDBTOR-SFHVURJKSA-N 402.543 1.840 30 10 HDEE C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](CNC(=O)OC(C)(C)C)C1 1300968842 AUNTVXCBEMDDLE-HIFRSBDPSA-N 419.482 1.362 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)CC1 1301067000 VPFZLSIMWZTBPZ-JKSUJKDBSA-N 409.556 1.861 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@@H]1CC 1301245406 CRWIHZXZWATJEJ-INIZCTEOSA-N 413.478 1.981 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1301259397 LCLMSTVAJHOABV-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)(C)C)CC1 1301478730 PAXWEUCMJPRHED-UHFFFAOYSA-N 405.547 1.029 30 10 HDEE C=CCn1cc(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)nn1 1303808050 ZMVHDWBGYFGNJT-AWEZNQCLSA-N 419.482 1.527 30 10 HDEE N#CC1(C(=O)N[C@@H](CO)c2ccccc2I)CCOCC1 1304876382 NFCCHRKTDLFKSC-ZDUSSCGKSA-N 400.216 1.761 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3cc(F)cc(C)c3S2(=O)=O)c1 1307342165 QOMZYTQMDVUVIK-UHFFFAOYSA-N 415.402 1.608 30 10 HDEE C=CCN1CC[C@H](N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1=O 1308027939 IUWSEXUJBIUQOS-TWMKSMIVSA-N 420.510 1.288 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@]2(CCOC)CCOC2)c(C#N)cn1CCOC 1310523024 GEEXQMYATURRDX-LJQANCHMSA-N 408.455 1.500 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1313853356 HZIWXWYHSBTJKC-UHFFFAOYSA-N 407.482 1.437 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](C)SC 1314387928 CNULSCAPALCCDA-AWEZNQCLSA-N 418.571 1.806 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1315402235 GQMMDTPACAHPBK-FQEVSTJZSA-N 414.441 1.254 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1323782669 IMAGEQSCYPFHOH-AWEZNQCLSA-N 417.325 1.921 30 10 HDEE COc1ccc([C@@H](O)C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1324111236 AQTIIRUZEROCLR-JBCNATCCSA-N 413.474 1.884 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@]1(N(C)C)CCSC1 1359023050 XBSURVYEQGKNGN-IBGZPJMESA-N 401.540 1.258 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)COC)CC1 1359034046 ALGOJFNFYVTYSQ-HNNXBMFYSA-N 400.483 1.044 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359056787 LLRMCCFBSZOHDW-KRWDZBQOSA-N 418.567 1.486 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cnnn1 1359066862 SDRKKYYLLQYISR-LJQANCHMSA-N 407.438 1.922 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)CC)C1 1359311595 DKMPOYLRPOYJOE-WNNBVUDTSA-N 418.523 1.475 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCOCC2)C1 1359320231 NTHXTCPJJDEEAO-SLFFLAALSA-N 419.570 1.922 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@]12CCCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1435068221 FJLMKUIFEAXFLT-FTRWYGJKSA-N 410.536 1.673 30 10 HDEE N#Cc1c(CCCNC(=O)c2cn3c(n2)COCC3)nn(-c2ccc(F)cc2)c1N 1441247869 VEQIWCJEFOMNBY-UHFFFAOYSA-N 409.425 1.555 30 10 HDEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1443361557 MLZUPMIROYIFBB-HOTGVXAUSA-N 402.813 1.834 30 10 HDEE C#CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cn1 1448878190 ZJUHLBWCUPADHX-SFHVURJKSA-N 400.504 1.542 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2(CCO)CCOCC2)C1 1453088041 GSPPZRDIYVIYEN-UHFFFAOYSA-N 408.296 1.805 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1453496613 NAWIPYANXVNUOW-YRKBZEGTSA-N 409.442 1.930 30 10 HDEE N#Cc1ccc(CSCC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1455200012 BQYWFSWVNCYFBL-HXUWFJFHSA-N 402.564 1.704 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC[C@H]1CCOC1=O 1455454289 PGCZRLMPGRXNHS-HOCLYGCPSA-N 421.519 1.599 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)C2)c(F)c1 1456708995 BDFYFMDONADVSK-YHYVQYDKSA-N 401.482 1.897 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1457988190 ZNONJYGQVZISSM-QGZVFWFLSA-N 419.503 1.626 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCN1S(C)(=O)=O 1460413355 FOQXVSBSLFQQJG-CYBMUJFWSA-N 410.565 1.793 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](N3CCc4sc(S(N)(=O)=O)cc4C3)C2=O)cc1 1460468129 BWAGPAHAXIAXKV-MRXNPFEDSA-N 416.528 1.821 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1460943455 VKOZXVNXEYCSKW-IERDGZPVSA-N 407.559 1.666 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(CC#N)n2)cc1 1462419718 ACUSCDSHSMKVBD-UHFFFAOYSA-N 401.448 1.365 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)ccc1F 1463116883 BXXPWUKCQHELQN-HOTGVXAUSA-N 412.483 1.700 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)s1 1466250983 VIUYFIKNXHFQLV-CQSZACIVSA-N 419.528 1.997 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@@H]1CCN(O)C1=O 1468372411 GIYVCYFWDFUCBE-GDBMZVCRSA-N 402.451 1.710 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)c2cc(C#N)c(Br)cn2)C1 1472677704 DKEJQRIKNZVPCA-LBPRGKRZSA-N 409.284 1.954 30 10 HDEE Cn1cc(CNC(=O)N2CCC(O)(COCCO)CC2)c(-c2ccc(C#N)cc2)n1 1478418488 RCSJHBOARVRSGM-UHFFFAOYSA-N 413.478 1.004 30 10 HDEE COCCN(Cc1ccccc1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1504875806 AQNRUTLWVYVADK-VXPUYCOJSA-N 410.478 1.766 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@](C)(CC)O1 1507660109 MERCFQZPNBNNSY-ABSDTBQOSA-N 421.567 1.699 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1507694546 OANUTOZJKPPJPP-UHFFFAOYSA-N 424.530 1.785 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 1507711461 UYCMWUJCUHHMAU-QZTJIDSGSA-N 424.567 1.616 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCC[C@H]1C 1507713157 ZFNQGOQUVVUWQI-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCOCCN(C)C)CC1 1507721729 SUYFHWYZPFSMFL-UHFFFAOYSA-N 410.566 1.841 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2nccs2)CC1 1507736166 GMJVESCSQJMWCG-UHFFFAOYSA-N 423.546 1.949 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N2CCOCC2)CC1 1507890441 NHVXCMMXQOYSIT-WMZOPIPTSA-N 405.499 1.017 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1507965056 JYRRFUDLYIBWKM-KRWDZBQOSA-N 401.515 1.434 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccn2)CC1 1508092465 YRADKILHBRUEJE-QGZVFWFLSA-N 411.510 1.544 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1508092983 ABEFIKWERIBWJI-OKILXGFUSA-N 410.469 1.430 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CC 1508144839 HZUQFOILKPYIBO-CABCVRRESA-N 416.569 1.160 30 10 HDEE C=CCCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](C(F)(F)F)C1 1522391115 SWHXIOKREZVWRV-DEQQHWRFSA-N 404.429 1.900 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccnc(N4CCOCC4)n3)C2=O)cc1 1528683374 UGQYVCJUUPZUCD-SFHVURJKSA-N 406.446 1.110 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(C)(C)C 1529122865 CZLZNFDPCPIXNY-UHFFFAOYSA-N 407.536 1.966 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1533303786 BYNRSQMGKKXAFI-QGZVFWFLSA-N 401.492 1.186 30 10 HDEE CO[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)s1 1536179612 KTNSTOZCKKWIFU-BHYNMZESSA-N 419.322 1.595 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCO[C@H](c3ccc(C#N)cc3)C1)C2=O 1538556626 UWEUOQZCUZCOCW-FXCLAUTBSA-N 410.474 1.959 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1538761042 OJRGKQDVXWOYLN-OXJNMPFZSA-N 411.439 1.741 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539006369 XWDSREPPRAOWGG-RHSMWYFYSA-N 409.494 1.829 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@@H]1C 1539246762 XBTKIIQEPKAPID-WMZOPIPTSA-N 411.531 1.924 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1 1539263787 PDWVUAUHEQRWOJ-HXUWFJFHSA-N 405.502 1.847 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1539399276 JJZLOPNEBPVIFT-SFHVURJKSA-N 408.506 1.623 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539742853 MBDQCENYXLOFPX-LJQANCHMSA-N 418.523 1.343 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C)C1 1540864910 OQHCZCZHBZITKS-HNNXBMFYSA-N 417.535 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540902104 ARBGBJQNLKTZGQ-CYBMUJFWSA-N 408.446 1.914 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3nnc4n3CCCC4)C2=O)cc1 1540997910 RTLAAXMFYOEMTO-OAHLLOKOSA-N 407.434 1.007 30 10 HDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cnn1C 1542110337 GRWGKDXUHWYLCU-HNAYVOBHSA-N 417.539 1.401 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@@H](C)O1 1544746504 ACCNNDNAOMZFSP-HUUCEWRRSA-N 417.473 1.973 30 10 HDEE CCCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1547094115 JAXYKEQUUWKEPJ-HNENSFHCSA-N 412.498 1.512 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nc(C(F)(F)F)cs2)cn1 1554333087 CXQPCILTEOKQTJ-LLVKDONJSA-N 424.412 1.931 30 10 HDEE COc1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1OC 1555024842 IFVVGQQUMBUOKV-DLBZAZTESA-N 413.478 1.966 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)CC1 1555995493 QIZGHYDZCYTLBN-QGZVFWFLSA-N 402.499 1.450 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2ncc(C#N)cc2C)CC12CN(C(=O)OC(C)(C)C)C2 1558548237 UIPQELNCRGBHSX-OAHLLOKOSA-N 414.462 1.744 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1558697715 DNJYXFFWXSQAJG-STQMWFEESA-N 411.890 1.913 30 10 HDEE C=CCN(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)[C@@H](C)COC 1562600383 WWKFPQVXEMJWEI-AWEZNQCLSA-N 417.466 1.622 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncc(C)o1 1574252578 CEZSFMXPKXQDCY-WDHIOAMHSA-N 403.479 1.729 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1584886458 HBHSUDUCGYDVCS-MCIONIFRSA-N 423.963 1.999 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C(=O)OCc3ccccc3)[nH]2)CC1 1584999991 ITNFGUGUOBMHDZ-UHFFFAOYSA-N 422.485 1.269 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(Br)c1 1586467425 OIONXLRQMLRLQO-LLVKDONJSA-N 423.292 1.699 30 10 HDEE C[C@@]1(c2ccc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)cc2)NC(=O)NC1=O 1587187463 WLDVSHKLXBFQMN-FCHUYYIVSA-N 403.442 1.834 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1587661902 ITVNDZGXBCZDDE-QGZVFWFLSA-N 402.543 1.094 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1587990156 SZUKZNFOLGYJTC-HNNXBMFYSA-N 404.492 1.315 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3cccnc3)CC2)c1 1588044624 WSRYISIIQNCKIS-UHFFFAOYSA-N 402.451 1.476 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1588166139 HDNOSCKISBYXCP-KRWDZBQOSA-N 403.504 1.025 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(C)=O)CC1 1588181111 PCXMRLXJPIUGMX-SFHVURJKSA-N 415.538 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(C)CC(F)(F)F 1588245481 FYHWAMWWSHWLPI-UHFFFAOYSA-N 410.444 1.358 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1588619646 AFSPVRXKSGFMKH-MRXNPFEDSA-N 403.508 1.393 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@H]1C 1589558524 LLTJUBMSPVOAPO-POAQFYNOSA-N 410.522 1.912 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1)C1CC1 1595054496 KHSQFMFOZTYAJC-HNNXBMFYSA-N 411.597 1.384 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1595615111 QRXLAVRBFVSVJG-ZDUSSCGKSA-N 404.533 1.408 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)C1=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C1)C2 1595930592 RVWXHJAJIYSIDA-HXUWFJFHSA-N 405.433 1.897 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)C1 1598208736 QVJFZNXRDWKQRS-PKOBYXMFSA-N 416.449 1.194 30 10 HDEE C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cn1 1608226766 UMJXDKWXSXFHNN-SFHVURJKSA-N 412.490 1.747 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)N(C)C2CC2)CCOC1 1616205349 HFQLTENUDIAYJN-CDHQVMDDSA-N 406.506 1.855 30 10 HDEE O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCC#CCO 1617907575 MBUZCPSKJBTVPL-UHFFFAOYSA-N 412.471 1.702 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nnc2c(=O)[nH]ccn12 1620547010 AIDMINZJCLQJEM-ZDUSSCGKSA-N 411.491 1.882 30 10 HDEE C=CCN(C(=O)Nc1nc(CC(=O)NCCC)cs1)[C@@H]1CCS(=O)(=O)C1 1627052618 SWGMQBNKJLTTQK-CYBMUJFWSA-N 400.526 1.419 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCCC1 1627404007 MEPNAAOTFRFZNL-UHFFFAOYSA-N 406.504 1.921 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 1628680278 FRWKSBGBVJFMCS-UHFFFAOYSA-N 409.527 1.733 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2cc(Cl)ccc2F)cc1 1631216222 ATFZBCQCZRRCLY-UHFFFAOYSA-N 409.826 1.628 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2(C#N)CCCC2)o1 1631919491 JRUYXTBIEKCOOV-AWEZNQCLSA-N 423.491 1.810 30 10 HDEE C#CC1(O)CN(C(=O)N[C@@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 1634029799 JVCINPINVUKFCF-OAHLLOKOSA-N 406.280 1.642 30 10 HDEE C#CCN(C(=O)C1CN(C2CCOCC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817679 GOTWGDUVEBAFPM-UHFFFAOYSA-N 405.539 1.959 30 10 HDEE N#C[C@H](NC(=O)CCn1cnc2c(N)ncnc21)c1cccc(Br)c1 1636402776 ZYZPMRPWYOVZFY-LBPRGKRZSA-N 400.240 1.942 30 10 HDEE COC(=O)N1CCC([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1638946405 GNLUIPKFNQSZLL-GFCCVEGCSA-N 411.455 1.720 30 10 HDEE CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CC(=O)N(C)C1=O 1639351774 WGUFLDRXIHTOSZ-CABCVRRESA-N 408.499 1.960 30 10 HDEE N#Cc1ncccc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1643924322 CNCJBRDDTVDAFQ-UHFFFAOYSA-N 418.500 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1649539480 NVYHMTAVVMRNEU-MDKPJZGXSA-N 403.527 1.647 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1651763407 DYCNMPKTCAYSSC-AEFFLSMTSA-N 408.520 1.083 30 10 HDEE COC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1664242247 CROJBMVJAFMACT-GFCCVEGCSA-N 405.295 1.600 30 10 HDEE C#CC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1664365415 BMWQIDHGAZEICP-IRXDYDNUSA-N 408.476 1.272 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1669252427 IRMOQNFPHSYVRZ-UHFFFAOYSA-N 405.398 1.519 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1676830316 QMNRBZRCMCQGBH-SFHVURJKSA-N 401.507 1.956 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778690 KFJREUFQEQADHK-ZGXWSNOMSA-N 414.506 1.524 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc(OC)c1OC 1683367239 KSQSMTYSXASLNE-JQHSSLGASA-N 424.519 1.386 30 10 HDEE COc1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C#N 1683696693 YSQOUFGZBPJNBA-CVEARBPZSA-N 404.467 1.736 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2)CC1 1684970670 VUHUJADIKRZVQY-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1687044769 WHDWQXIZPGXTOY-UZLBHIALSA-N 414.554 1.505 30 10 HDEE N#C[C@@H]1CN(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CCN1C1CC1 1687062211 HAJUGWNGNONPCC-RTBURBONSA-N 403.914 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1689827061 ZDRKYOMCMLGYJL-HUUCEWRRSA-N 405.524 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1689852028 YRWNYXMPBZNUFP-XHSDSOJGSA-N 402.524 1.097 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCO[C@@H]1C 1689978295 ROSJWJYBELPMTF-PTDBIEIZSA-N 419.526 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1690039832 UMRCXCGPQRTYEI-UHFFFAOYSA-N 420.926 1.396 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690507343 KDJQGAIPXNXOTM-HZPDHXFCSA-N 402.499 1.023 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690674068 NUTAPALNVNNSJG-CQSZACIVSA-N 418.523 1.325 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1691003402 GSJAQULXDUHIEZ-HBUWYVDXSA-N 423.564 1.745 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1692519353 IPTUJKICHDBDIJ-DYESRHJHSA-N 416.526 1.884 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1696054969 KDVALPZKFGHMDJ-VHKYSDTDSA-N 420.489 1.287 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CCOC1 1697227697 CFJRCPHOOFEWST-LEWJYISDSA-N 410.478 1.324 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1698172703 XTTUOMYRPPCEPJ-DZGCQCFKSA-N 406.874 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1705489099 ZFVMPMLIPPPUDT-HNNXBMFYSA-N 405.524 1.739 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1705546159 CHLQCMVVGQGAHU-QFIPXVFZSA-N 424.505 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCOC[C@@H]1OC 1705584681 UBHGEWUAGWIKFE-QUCCMNQESA-N 418.501 1.641 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705611529 HEIAYRIGPVUIHI-AWEZNQCLSA-N 404.515 1.992 30 10 HDEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705812200 SUGKRFYYYTWSHH-MOPGFXCFSA-N 422.533 1.933 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705819530 NWPIATLAIMRKNA-AWEZNQCLSA-N 409.512 1.225 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](COC)C1 1705900460 DXOMMMJYHLNGRJ-KRWDZBQOSA-N 421.505 1.906 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](COc2ccccc2)C1 1705903116 QNFOXSHCMXDREO-ZWKOTPCHSA-N 411.506 1.990 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2cn[nH]c2)CCOC1 1706672345 MPKFBRYGHQNCQU-OALUTQOASA-N 403.462 1.726 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1706749124 PKGQPWIVYYZGDN-ZDUSSCGKSA-N 401.471 1.613 30 10 HDEE C[C@@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1706904244 FYGRTMGXKPFDLI-QAPCUYQASA-N 410.478 1.231 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCO1 1706955467 BGJBQYNVUGQFBE-DLBZAZTESA-N 404.515 1.012 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(C)(=O)=O)cc1OC 1711732091 HAJSSNLKKMEPLK-ZDUSSCGKSA-N 407.496 1.603 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712617080 RXSGGXHTEZPZPE-FQEVSTJZSA-N 421.505 1.656 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2ccc[nH]2)n1CCN1CCCS1(=O)=O 1712886827 HXVGORMUTALLDZ-UHFFFAOYSA-N 403.512 1.439 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OCC 1722344158 HKLFZYIWYPZWQN-HNNXBMFYSA-N 405.524 1.599 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1722382678 JHAUMCIYKNQXIA-MOPGFXCFSA-N 423.542 1.768 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc2c(c1)CCO2 1722425219 RDDFVTGWWDHZHT-UHFFFAOYSA-N 406.490 1.942 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2N2CCOCC2)CC1 1722440610 BZHRRZKBDSOZNR-UHFFFAOYSA-N 424.549 1.455 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC=C(Br)C1 1722699533 VPFUCNRMSCZADM-ZDUSSCGKSA-N 410.316 1.963 30 10 HDEE CC(C)(C)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1722912564 UMYXRYASNFRBAJ-UHFFFAOYSA-N 411.510 1.489 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cnn(C)n1 1740646635 GSXSQBIXDRKAKB-OAQYLSRUSA-N 411.510 1.154 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC=C(C)C)CC1 1740700778 HSAATZBQXXJWQI-UHFFFAOYSA-N 412.538 1.836 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740849822 YOOCJPSXSSGREY-QGZVFWFLSA-N 423.521 1.013 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12)C1CC1 1740907277 WAECTSPDNSMEDZ-AWEZNQCLSA-N 415.523 1.739 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1740932597 ROUFQLOJOMGXAU-PVPMGCCUSA-N 414.597 1.906 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1740958008 GXUGAOJQHWRIHJ-FQEVSTJZSA-N 424.549 1.703 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1740959528 YUPICDSAOGSRHP-UHFFFAOYSA-N 414.535 1.918 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740964545 QMRKGQOEMZKRFQ-INIZCTEOSA-N 402.503 1.167 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N(C)C(C)C)CC2)nnc1C(C)(C)C 1740965307 NTDGGQLXDBWGAB-UHFFFAOYSA-N 404.559 1.961 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1741891124 KQQVBBXZBCOHSU-BBRMVZONSA-N 407.496 1.902 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1748712874 LKLZLEXEHDRDKD-MRXNPFEDSA-N 417.473 1.724 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(SC)CCN(C)CC1 1748772465 WFYZDOKYRCTPMQ-HXUWFJFHSA-N 407.584 1.827 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1748798883 BLVJOLXDLPBWRJ-UHFFFAOYSA-N 414.485 1.230 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1748816299 YQWKEHHMDVFVNW-IKGGRYGDSA-N 408.524 1.325 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCOCC(F)(F)C(F)F)CC1 1748993635 GIVVFBUWLFYGPZ-UHFFFAOYSA-N 403.424 1.903 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCCO1 1749033541 IIKDOMBMEKXLSL-CQSZACIVSA-N 403.508 1.987 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1749268510 BWWDMRYNPPSJHR-LSDHHAIUSA-N 417.963 1.846 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749427869 VSKASJQZVJZMNZ-HZPDHXFCSA-N 421.567 1.641 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@]1(N(C)C)CCSC1 1749828403 AXWJIUDFIHKUKW-LJQANCHMSA-N 418.571 1.482 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1750506774 AIMFZVNFHDKAJT-XIKOKIGWSA-N 407.450 1.196 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760136676 AZGZCWUYDJJCIM-QGZVFWFLSA-N 411.510 1.562 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(N)=O)cc1 1760287018 CVYASSPLZLKZLQ-OAQYLSRUSA-N 409.494 1.947 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)CC1 1760402739 SWPHOXGGJTVDIN-KRWDZBQOSA-N 421.523 1.655 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCC)CC1 1760509566 PBGDULKDYXXKDP-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)nn(C)c2C)n1 1762458017 DMTULJSXQSWFCT-QGZVFWFLSA-N 409.498 1.267 30 10 HDEE CCC1(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1762516488 IZPMODFALDGZMJ-SJORKVTESA-N 407.515 1.938 30 10 HDEE CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1766069618 LFEWYVXJGWFTNY-NRFANRHFSA-N 411.510 1.933 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCc1n[nH]c(C)n1 1770190169 VWGRBNZXYLMSKI-RDJZCZTQSA-N 400.487 1.411 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(OC)CCOC1 1771293551 NLDZBVCDZYQSKM-WFXMLNOXSA-N 419.526 1.938 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1848882991 PZOCSHTWADTKJZ-UHFFFAOYSA-N 408.499 1.331 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)Cc3nc(-c4cccnc4)n[nH]3)CC2)CC1 1849538454 QMWHSXQIMBXDQT-UHFFFAOYSA-N 407.478 1.410 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1850056062 MLPMNSUXQJPHRS-KRWDZBQOSA-N 407.511 1.442 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NCCN3CCC(C#N)CC3)CC2=O)c(OC)c1 1850671018 HKBUESCQJRQJOS-MRXNPFEDSA-N 400.479 1.408 30 10 HDEE CC(C)N(CC#CCNC(=O)[C@@H]1CC(=O)CN1C(=O)c1ccc(F)cc1)C(C)C 1851411098 ATTDIYHNGUYMDS-FQEVSTJZSA-N 401.482 1.848 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(I)cc3)CC2)n1 1851513816 PYZOBNLPQWYZMS-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn3cccnc23)cc1 1851664461 AIQFAUYTXHGCPV-SFHVURJKSA-N 407.430 1.538 30 10 HDEE CCOC(=O)[C@H]1CCCN(CCNC(=O)c2cn3cc(C#N)cc(Cl)c3n2)C1 1851688212 UXADPHHAZXWKED-AWEZNQCLSA-N 403.870 1.864 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccc(C)cc4)n3[nH]2)CC1=O 1852330822 MFYFITBPPVJUQU-HOTGVXAUSA-N 420.473 1.968 30 10 HDEE C=CCN[C@H](C)[C@@H]1CCN(C(=O)c2cn(CCN3C(=O)c4ccccc4C3=O)nn2)C1 1853572326 JWWXHFOQNAFOOP-HZPDHXFCSA-N 422.489 1.201 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C1=O 1854660682 VQXKGNINUXYMOR-HZPDHXFCSA-N 404.536 1.923 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1855126892 KCJLISTUMDAVPC-QGZVFWFLSA-N 414.506 1.862 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)CCn4cncn4)C3=O)CC2)cc1 1855462188 DLTHIYDTIQZDMG-LJQANCHMSA-N 408.462 1.211 30 10 HDEE COCCOc1cncc(C(=O)N2CCC[C@@H](N3CCC(CC#N)CC3)C2=O)c1 1856543515 VEFGYXTTWOCVGG-LJQANCHMSA-N 400.479 1.864 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4cncnc4)C3=O)CC2)c1 1857010708 VHPYJMPBHUPPAY-SFHVURJKSA-N 406.446 1.275 30 10 HDEE Cc1cccc(C)c1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857065813 ATFOIBDASDFACN-QGZVFWFLSA-N 403.504 1.858 30 10 HDEE CC(C)n1nc(C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)ccc1=O 1857161647 BOSJEWBVFFITET-UHFFFAOYSA-N 407.474 1.959 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(Cc3ccccc3)C[C@]23CCOC3)CCC1=O 1857195902 KQHOISLKGYLZNE-REWPJTCUSA-N 410.518 1.642 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 1857489254 CRGBETLLXBCNGG-SFHVURJKSA-N 407.536 1.966 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(C(C)(C)C)c(O)n2)CC1 1859430397 ZSDSFNWNFWVVMR-AWEZNQCLSA-N 409.494 1.896 30 10 HDEE CN(C)c1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1860731754 FTJBGDSVOYTHJK-KPKJPENVSA-N 401.488 1.341 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 1867019837 OQLZYSLKBXKWDQ-GOSISDBHSA-N 417.462 1.798 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)N1CCC(C(N)=O)CC1 1871338242 CFMISWMJIDVKGK-UHFFFAOYSA-N 402.236 1.320 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491578 IFJKNJPUJLEKKS-UHFFFAOYSA-N 403.918 1.133 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc[nH]1 1874278521 VCPNUSLBRKIRHU-IDTCLIEOSA-N 404.496 1.868 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1 1874430246 ZNWYDXUSOPXHJH-SRZZPIQSSA-N 418.523 1.766 30 10 HDEE CCCN(CCC#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197740718 UUBZACOOUXHPTO-CQSZACIVSA-N 401.529 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N(CC#N)CCC(F)(F)F)C1 2197778443 QIPGBRZCYGHZOI-LLVKDONJSA-N 413.418 1.325 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(F)(F)C[C@@H]2CC#N)CCS(=O)(=O)C1 2233992618 PYULGLQCZFUQPY-XHDPSFHLSA-N 407.439 1.218 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243702881 TULXJJQHHONNKR-GJZGRUSLSA-N 408.304 1.667 30 10 HDEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247944681 QSYMZDDNWAGUHI-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248555800 OYGRHWNJJSTKDN-OAHLLOKOSA-N 415.255 1.109 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2255795584 HWEHYRCKRAVCPH-UHFFFAOYSA-N 415.342 1.479 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NOCC(F)(F)C(F)F)[C@@H](O)C(F)(F)F 2265329837 HTNMJTUPXXWVBQ-PHDIDXHHSA-N 402.263 1.751 30 10 HDEE N#Cc1cccc(Br)c1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2269701550 LPNYBFLJOHOZIF-ZJUUUORDSA-N 419.201 1.679 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282031483 SOIOIWXXHNJXLF-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE CC1(C2CCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)OCCO1 2282177791 BBPZGEOZHCWUKG-UHFFFAOYSA-N 402.300 1.996 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](CN)C(F)(F)F)OC1(C)C 2282339983 ZUMPFSDGXDBRQP-SECBINFHSA-N 414.280 1.463 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2282341190 PADUOUNQGPOQMH-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CN([C@H](CO)CC1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282341815 XXORRSKXDBXXBZ-AWEZNQCLSA-N 401.359 1.829 30 10 HDEE CCOC(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OCC 2282344439 LDOVXRHPTUAJFT-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCO[C@@H]2CCOC2)OC1(C)C 2282415995 OZPIJWVMEFSTTQ-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE CN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282499552 QDVOQOAOVNXEKB-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1C 2282505822 JPAGUJPOOFIFRD-STQMWFEESA-N 400.375 1.666 30 10 HDEE COCCN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C1CNC1 2282637607 AWZOHVJWEFWXDY-UHFFFAOYSA-N 400.737 1.761 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H](O)C3)c(Cl)c2)OC1(C)C 2282830230 QTAFBKDCGRYGAF-QWHCGFSZSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2CC(CO)C2)OC1(C)C 2282842085 SFXCKJKULRKDNC-UHFFFAOYSA-N 401.359 1.485 30 10 HDEE CC(C)[C@]1(O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282848370 MTDSPQZSCBXGAM-KRWDZBQOSA-N 401.359 1.829 30 10 HDEE CN1CCC(C)(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282849478 BUFRHIKPKRJECC-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCC1(N)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282852867 VJOPOJJNYKIQHI-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1C(=O)O 2284396631 DUBLUQAFXDCQEI-MNOVXSKESA-N 401.315 1.389 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284417758 PNLQVKKBAJIHLV-NSHDSACASA-N 403.331 1.578 30 10 HDEE CN([C@@H]1CNCC1(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2289913625 MCIULRCZNMHLAM-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 2365200659 ACZJBKZXPVARCD-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CCOCC1 2365202275 NKYSDWDZNHZOEZ-OAHLLOKOSA-N 402.557 1.865 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2365206759 IRTNJODUKPYGER-LSDHHAIUSA-N 404.573 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2(CC2)C1 2365208478 CNQQRMFCRUZWCN-AUUYWEPGSA-N 400.541 1.292 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](Cc1nccs1)NC(=O)OC(C)(C)C 2365210440 KEXODJWDSRTHFX-KGLIPLIRSA-N 415.581 1.994 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2365211006 KGRNTHTWOIOGMV-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCOC)NC(=O)OC(C)(C)C 2367789473 DKSMLYCHDIRKET-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367798356 QHLCOLNJCLVPLR-CVEARBPZSA-N 401.573 1.390 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367804244 RETXDJHBIQVVKQ-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 20527596 CLQMDTGPAZXTMQ-SRZZPIQSSA-N 411.495 1.630 30 10 HDEE C/C=C1/C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 33955037 ZOIAVVNLMDKOIV-WACPWFGXSA-N 407.463 1.580 30 10 HDEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1cccnc1 59879744 VKZJPRSWAWCBPQ-SRZZPIQSSA-N 415.483 1.951 30 10 HDEE Cc1ccc(S(=O)(=O)N=C2NCN(Cc3ccc4c(c3)OCCCO4)CN2)cc1 72460032 MAOAAQUZKBUOEB-UHFFFAOYSA-N 416.503 1.811 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 102753730 ALZLJKPIUUDION-VZCCSQPZSA-N 411.462 1.175 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(Cl)c1 110250559 RKROMUBBWDSYKQ-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CNC(=O)C[C@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 431117973 LFRJXJHUMHABLW-SFHVURJKSA-N 409.494 1.309 30 10 HDEE CN1C[C@H](Nc2cc(C#N)c([N+](=O)[O-])c(N[C@@H]3CCC(=O)N(C)C3)c2)CCC1=O 462876393 VYGFHVHBTJHIFS-ZIAGYGMSSA-N 400.439 1.532 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473451199 BXCWTOGCNUYLLO-AEFFLSMTSA-N 413.455 1.572 30 10 HDEE COc1cccc(C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482182705 TYMHHAMTIRNDQI-GJZGRUSLSA-N 401.488 1.981 30 10 HDEE COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)s1 484779614 WSJZUFICFFWAGB-UHFFFAOYSA-N 422.488 1.321 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2C)c1=O 502049360 MNITVSBHOADDLD-UHFFFAOYSA-N 419.510 1.066 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cccc(Cl)c1C#N 505275837 XPANHQCEUBNZOS-JTQLQIEISA-N 411.892 1.999 30 10 HDEE COCCOc1ccc(CNC(=O)CN2CCN(c3ncccc3C#N)CC2)cc1 506918015 QJMILXVVCOMYIE-UHFFFAOYSA-N 409.490 1.417 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccccc2Br)CC1 516205597 LGPPNHOZOHKKOH-UHFFFAOYSA-N 409.328 1.621 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 516765152 MIPYBOOHQIFTAM-MRXNPFEDSA-N 419.478 1.364 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@H](C)CO)nnc12 532686026 OPVUHQKMJVHTDQ-OLZOCXBDSA-N 401.492 1.455 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)Nc2cc(C)n(CCC#N)n2)c1OC 536658197 UCGRHNLZFAFFRF-UHFFFAOYSA-N 408.436 1.710 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3nc4ncc(Br)cn4n3)CC2)n1 546169590 BWVIEZMAWQONOH-UHFFFAOYSA-N 413.239 1.116 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)ccc1C#N 558483867 JVOLYQLZBYARRD-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE COc1cc(-c2noc(CN3CCN(C(=O)CC#N)CC3)n2)cc(OC)c1OC 558715449 UOZKSISYYNJYIO-UHFFFAOYSA-N 401.423 1.320 30 10 HDEE COC[C@]1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)OCCc2ccccc21 582214216 YQCCXFNVBJEOHI-QHCPKHFHSA-N 421.501 1.899 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)c(F)c1 585686046 YXEWFCLFOYOMJE-IBGZPJMESA-N 410.449 1.331 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 590914348 LGZRRRZWHURBNR-INIZCTEOSA-N 415.490 1.257 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 609457747 HQSCECATPAUWBO-LJQANCHMSA-N 408.506 1.765 30 10 HDEE COc1ccc(CCN2C(=O)C[C@@H](N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)cc1OC 732670035 UVVRDHZVSAAWCQ-ZWKOTPCHSA-N 412.490 1.046 30 10 HDEE COC(=O)[C@H](OC(=O)CNC(=O)c1cc(OC)cc(OC)c1)c1ccc(C#N)cc1 740207644 XCOKCZIKWXBMHH-LJQANCHMSA-N 412.398 1.763 30 10 HDEE C=CCn1c(CCN2CCCCC2)nn(CN2CCO[C@@H](C(=O)OCC)C2)c1=S 741243219 VASYNNDOBHRJEC-QGZVFWFLSA-N 423.583 1.850 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2C2CC2)C1=O 742215330 UZUDYRHBYUJKQA-CYBMUJFWSA-N 403.443 1.415 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CCN1C1CC1 748710290 BEOVZJIHAKDONR-AWEZNQCLSA-N 408.911 1.547 30 10 HDEE C#CCN1CCN(C(=O)CONC(=N)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 749874072 JYCIASUVCSXJFY-MRXNPFEDSA-N 409.531 1.202 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(C#N)cc1 754512746 BROCCYIBWZERBA-HRAATJIYSA-N 407.382 1.684 30 10 HDEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 774034035 CYIMHOVQXHVXSI-LNLFQRSKSA-N 419.547 1.950 30 10 HDEE C=C[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 781580255 IFQFVYGJWVOXIC-HNNXBMFYSA-N 410.492 1.426 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 785871797 HFPJXMCXNYUNIF-BQASMSSTSA-N 403.483 1.136 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 785931963 IEMRYLNYKNEECZ-GFCCVEGCSA-N 416.293 1.729 30 10 HDEE CO[C@H](CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 787340274 GGYGWDDKGXJPGR-ZWNOBZJWSA-N 407.414 1.587 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)CC(F)(F)C1 787825492 QTNVAANOKQFLSD-JSGCOSHPSA-N 415.462 1.368 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)n1 790105824 COGPSCAKBJGIQO-QGZVFWFLSA-N 416.428 1.823 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2sc(SC(F)F)nc2C)CC1 792892194 VCRINHHSJVYMRP-UHFFFAOYSA-N 404.508 1.755 30 10 HDEE Cc1cncn1C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 793847876 JTXUIAXVRSUDHN-AWEZNQCLSA-N 415.519 1.872 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCC(CNS(C)(=O)=O)CC2)cc1C 796254806 NEDHSWICMIMOCJ-UHFFFAOYSA-N 406.552 1.811 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cn1ccccc1=O)c1ccccc1 800706515 DSMSDPITZAGJGW-QBEKEKFNSA-N 421.457 1.415 30 10 HDEE N#C[C@H](C(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1)c1nc2ccccc2s1 801979261 XOGOOBCUADDDKB-OAHLLOKOSA-N 418.544 1.972 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)c2cc(C#N)ccn2)CC1 803847598 LQQMDHARBMDXHV-UHFFFAOYSA-N 406.442 1.840 30 10 HDEE Cc1nccc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])n1 814687546 KUUWQGBUFXRAED-UHFFFAOYSA-N 406.424 1.160 30 10 HDEE CC(C)N(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)C2)ccn1 856551740 YWQSGNANZZZBMQ-APWZRJJASA-N 409.556 1.854 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1116540387 PSWJXBZSDSTXEQ-ZWKOTPCHSA-N 423.535 1.630 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)n1 1127814871 FWYNVTAMLFCBKF-UHFFFAOYSA-N 402.823 1.843 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1134996720 QOXJSSDAWPUVBE-BBRMVZONSA-N 402.394 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1136107052 AUPIFRHVTYQVJZ-NRFANRHFSA-N 415.494 1.364 30 10 HDEE Cn1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(-c2cc(F)ccc2F)n1 1136671548 LFLWDUGXBWIYBV-ZPHPHTNESA-N 401.373 1.622 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)c1 1138758768 FLFNWPYDGMIQON-UHFFFAOYSA-N 407.398 1.634 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(c3ncns3)CC2)CCCN1C(=O)OC(C)(C)C 1141244351 KISRQIUIQAIGAE-LJQANCHMSA-N 405.524 1.980 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCCN(c4ccccc4C#N)CC3)CCC2=O)cn1 1143726944 IFRFEKUETQPKHT-SFHVURJKSA-N 406.490 1.774 30 10 HDEE C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCN1S(C)(=O)=O 1147371188 VJLIAUWIGWEEBB-OCCSQVGLSA-N 424.910 1.057 30 10 HDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)ncc1C#N 1157382481 PJQWLURMODVZGA-MRXNPFEDSA-N 400.460 1.659 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2ccnn2C)s1 1164149458 BMXOCOBAWWSBLF-OAHLLOKOSA-N 410.521 1.089 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2CCc3cc(Br)ccc32)c(=O)nc1O 1167527130 KMMZNPQOMZDIJH-AWEZNQCLSA-N 403.236 1.429 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179653455 YPMXIUXNEHBMLV-CKFHNAJUSA-N 411.524 1.419 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C1=Cc2cc(Br)ccc2OC1)C(=O)OC 1212123445 NAWMASRHGJPFKM-CYBMUJFWSA-N 400.250 1.667 30 10 HDEE N#CC1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCC1 1212204272 BIMOAFMVYAMKMS-UHFFFAOYSA-N 411.427 1.499 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1230269566 LHBGXQYEIGALNC-CVEARBPZSA-N 408.499 1.064 30 10 HDEE C=CCCSCCNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1230743537 LIUSRWVZDYQNPY-UHFFFAOYSA-N 408.549 1.772 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN4CCSC[C@@H]34)CC2)c1C#N 1255385683 KOKILQRSFHSXHF-HOTGVXAUSA-N 406.581 1.735 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC#C[C@H]3CCCCO3)CC2=O)C1 1256125043 OTWGMVVVBQNJPR-DOTOQJQBSA-N 420.510 1.078 30 10 HDEE Cc1nsc(N2CCN(C(=O)CCCN(C)C(=O)c3ccncc3)CC2)c1C#N 1274554512 CNOJKDHSZJFRQT-UHFFFAOYSA-N 412.519 1.919 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H](C)CN2CCOCC2)c1 1286310399 YEVJKVPUHWUVIB-KRWDZBQOSA-N 410.522 1.611 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286386257 XNIWQELGQYDUKT-LPHOPBHVSA-N 401.536 1.738 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1286390245 ZCPLJZIEXWZQJN-QGZVFWFLSA-N 400.504 1.839 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1286488246 LTYWSMQQHNPLDX-SFHVURJKSA-N 420.517 1.605 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1286598817 DZDZIWDXCDDWCR-BEFAXECRSA-N 404.471 1.776 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](CC)C1 1286783969 RRNZQNDKJRBERF-INIZCTEOSA-N 413.478 1.634 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1286810515 SEHAYXSPGSFDHN-KGLIPLIRSA-N 417.432 1.632 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CCOCC2)C1 1286820666 OVHUPUGHSFXGPE-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@@H]1CCOC1 1288098758 WVCCFPIHQOXBFI-QGZVFWFLSA-N 404.515 1.742 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@H]2C(=O)OC)ccc1F 1288343740 OJLVPQVNPWNOHB-LBPRGKRZSA-N 406.382 1.313 30 10 HDEE COc1ncc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1C#N 1289072592 YRNAPZDNSXVQLK-KKUMJFAQSA-N 402.476 1.807 30 10 HDEE CCCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1294743964 IETQKVZHKKIHNZ-JXFKEZNVSA-N 403.506 1.830 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)ccc1F 1298573506 ZGHDEZKOUAGOHF-INIZCTEOSA-N 410.442 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)COC1 1300528152 QXWNZKIBVDKLKI-UHFFFAOYSA-N 402.458 1.301 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1300875783 QMAQTPUDLXRRIZ-WBVHZDCISA-N 423.583 1.746 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1300900702 RLSWJZNAMOJXNA-OAHLLOKOSA-N 415.560 1.222 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1301001581 MIAOWYQEHCHQBK-NHCUHLMSSA-N 421.542 1.485 30 10 HDEE COC[C@H]1CCCN1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1301072304 DGSWQNGDDUQARW-OAHLLOKOSA-N 408.524 1.428 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnnn1 1301349264 MISWQHMWNJQBMW-KRWDZBQOSA-N 407.482 1.499 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](OCCOC)C1 1301491293 OJVMRKZIDKKZMF-MRXNPFEDSA-N 400.483 1.274 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1301552945 BAHWXTDYPSULCI-INIZCTEOSA-N 420.539 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301588967 MXSGOONGHBGDLI-HZPDHXFCSA-N 414.572 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N(C)[C@H]1CCOC1 1301593316 LTILACCGFPHAQY-INIZCTEOSA-N 424.498 1.822 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1301970014 BDSPJAXFBYAPGE-QWHCGFSZSA-N 401.496 1.144 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)[C@H]1c1nccn1C 1302361922 HYHOCYSGEACMQL-IPJJNNNSSA-N 422.489 1.187 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(OC)C1CC1 1306193952 IBXDLFXHQUBUIJ-OAQYLSRUSA-N 412.542 1.896 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(Cc3nc(-c4ccccc4)no3)CC2)CCOCC1 1307541952 MLMQGMRXATUPQE-IBGZPJMESA-N 411.506 1.926 30 10 HDEE C=CC[C@@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1310454910 AAVILMZZMUAVAA-OAHLLOKOSA-N 408.524 1.956 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccccc3C)n2Cc2ccc(C#N)o2)CCO1 1315008922 QBCBNYMILPHTLH-SFHVURJKSA-N 406.446 1.718 30 10 HDEE CNS(=O)(=O)CCn1c(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)nnc1C(C)(C)C 1315071262 PQPFGWSUOBNVAS-SJORKVTESA-N 416.551 1.868 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)c(OC)c1 1315427575 XGNMWFXXQHVMMY-AWEZNQCLSA-N 423.420 1.973 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1354647261 VAJWTPFCMQDHBE-UHFFFAOYSA-N 420.381 1.269 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1358870719 RRWRFYSRJUKWGV-MRXNPFEDSA-N 411.510 1.154 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CCC(=O)NC)c1 1358901228 DKWZVGHOTZFYMN-UHFFFAOYSA-N 417.473 1.532 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCN(C(=O)OC(C)(C)C)C1CC1 1358937005 FTACJGLTBCKAFY-UHFFFAOYSA-N 404.515 1.885 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1358961613 BXZLMBKGAVRIHF-QGZVFWFLSA-N 407.584 1.760 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1359106689 NOGLWXNWMGIPEQ-MGPUTAFESA-N 400.483 1.868 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC)CC1 1359177321 IPWRQWYAQHNDMO-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(F)(F)CO2)C1 1359310821 IAMUOBPDDQDIJZ-CABCVRRESA-N 411.453 1.720 30 10 HDEE CC(C)(O)CCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359601152 OLMXMCNCSJPMCK-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE CC(C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359603756 CJFLCHRHHMBNID-UHFFFAOYSA-N 405.462 1.570 30 10 HDEE C#CCOc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1436299901 ONVZJARCZGWJPH-UHFFFAOYSA-N 417.443 1.544 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnn2cccc(Br)c12 1446283464 YDORRKUKHQUHPC-UHFFFAOYSA-N 402.256 1.979 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)cc1 1450325658 NUCHRVNNMOTHTC-HGPCXVNDSA-N 422.425 1.724 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 1452856107 FDTXJFUJEBFYAM-NSHDSACASA-N 405.303 1.938 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2nccnc2C1 1454118006 MVHPGTOQXPWFQH-UHFFFAOYSA-N 413.503 1.660 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)[nH]1 1454156570 DNWSKEKVQJRLHM-UHFFFAOYSA-N 406.490 1.582 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 1469969324 VIEKQIAWNQKFOJ-DZKIICNBSA-N 407.536 1.759 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1471224187 CNGQUKCCDDCDGI-QGZVFWFLSA-N 421.538 1.962 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1471522086 RNKPLCYGOHFEGS-UHFFFAOYSA-N 408.520 1.762 30 10 HDEE N#Cc1cncc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1471966101 LMRDNBRZLXHYBI-UHFFFAOYSA-N 411.487 1.869 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3ncc[nH]3)CC2)CC1 1473437545 HOAFZEZFTDRGNP-IBGZPJMESA-N 411.485 1.080 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)Nc2cc(CC#N)ccn2)CC1 1476946841 FJVAOFJTSUJMMF-UHFFFAOYSA-N 419.429 1.968 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1492767029 DDMSOYITVRCUAK-GOSISDBHSA-N 418.502 1.635 30 10 HDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1503198566 DNEBJRWYBAGIAD-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CCO1 1505323401 YDEIPTWAUXOCAB-AEFFLSMTSA-N 416.526 1.740 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507596800 PQJJJMNXXDDJLD-NJNPRVFISA-N 415.538 1.789 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1507611653 NNOAZHDJSCNWQB-MRXNPFEDSA-N 422.489 1.550 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1507611884 QAUFBCIODMUKTA-UHFFFAOYSA-N 401.492 1.557 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)CCC)CC1 1507737114 ZNBCABPFXMREJK-JOCHJYFZSA-N 412.538 1.801 30 10 HDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1507754154 SWEPFKQJGIXTEN-GOSISDBHSA-N 413.547 1.495 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1507768325 OYOZIMOPIWCMED-QFBILLFUSA-N 410.540 1.573 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1507868240 GIBJDNWWJPBBJC-ZDUSSCGKSA-N 410.931 1.835 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507953161 CYGMTOFIIFQXGQ-HUUCEWRRSA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1507958596 XJJRSZBACUJNGH-GJZGRUSLSA-N 401.533 1.096 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1508092399 POMOYHCILAFYFB-KRWDZBQOSA-N 423.521 1.561 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1508153482 ZUFRBMZXNUAEAN-SFHVURJKSA-N 400.552 1.854 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1508159165 LMPKLAWTJNJBHY-INIZCTEOSA-N 408.572 1.943 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1COCCO1 1516537484 ARVMPCXIIYVOEW-MRXNPFEDSA-N 414.466 1.155 30 10 HDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1520740816 ZLRZEHVVHPMLQJ-OAGGEKHMSA-N 420.514 1.814 30 10 HDEE N#Cc1ccc(OC(=O)[C@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c(I)c1 1524881226 CIGRDDGEWRMACC-CVXDLRIPSA-N 408.195 1.983 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)n1 1538916740 LFQWHWWHDKBXRS-UHFFFAOYSA-N 414.418 1.875 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1539202410 IAZZNFVQHSTCIA-NVXWUHKLSA-N 417.535 1.870 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N(C)C 1539300539 CNEXKHZVPSWMKJ-UHFFFAOYSA-N 401.474 1.886 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C2CCCC2)CC1 1539453160 FMXHEUGSHIEYQK-UHFFFAOYSA-N 407.566 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@H]1C 1539632306 QNUOOIJBFNIACS-MTNOOBJLSA-N 403.527 1.820 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1539636504 KZOJYERTKRPCSX-ABSDTBQOSA-N 410.522 1.947 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539802874 BEKIUZJEGOJOJF-INIZCTEOSA-N 416.913 1.960 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539884279 HYNXZKHOPLUQHP-OAHLLOKOSA-N 407.540 1.599 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1540187556 QQFQDJGMNVYKMG-UWJYYQICSA-N 415.494 1.863 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540854078 FCCGYBJMBSTFNP-MRXNPFEDSA-N 407.515 1.263 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(OC)c(C)c1 1540861703 CUCBJEGCRZCFOG-UHFFFAOYSA-N 414.510 1.672 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540877460 VWCLWOCMGWOIQB-JKSUJKDBSA-N 404.515 1.125 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3nccn3)nc2)s1 1543221158 NGIOJPSIKSOUSU-UHFFFAOYSA-N 404.477 1.369 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ccccn3)C2)s1 1545869797 XQFBBICTDMFEMH-AWEZNQCLSA-N 406.533 1.545 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)cn1 1557698375 XMARZBGBEUVYBO-UHFFFAOYSA-N 418.501 1.649 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NCC23COCCN2CCOC3)cc1 1557741198 JPHZMVPFKMAYJO-UHFFFAOYSA-N 407.470 1.968 30 10 HDEE C[C@@H](C(=O)N[C@@H](CO)c1ccccc1I)n1cnc(C#N)n1 1558739172 CINNEHNVOFWJPN-CABZTGNLSA-N 411.203 1.165 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1=O 1559824179 CRXNGCLADIDGCG-CABCVRRESA-N 408.499 1.374 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1563028250 QJMGXRJKTPBYHU-INIZCTEOSA-N 409.508 1.430 30 10 HDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)CO1 1564690559 UBZLWELKCGVJAN-JHGBEIFQSA-N 412.490 1.685 30 10 HDEE Cc1cc(N2CCC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n[nH]1 1567780542 JMFRLHCTAAIKED-UHFFFAOYSA-N 405.455 1.553 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)c1 1586249605 YQXIKYSNHWUHSI-OAQYLSRUSA-N 421.501 1.739 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587766809 ZCTLGIIOIZLDQS-DLBZAZTESA-N 414.510 1.448 30 10 HDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC)[C@H]1CCS(=O)(=O)C1 1588064261 FASSHUOSXPUJLI-KRWDZBQOSA-N 412.519 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccnc(-n2cccn2)c1 1588149373 PLUIGKOXELODDA-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCCC1 1588149391 QGVDDZDZZYDHES-UHFFFAOYSA-N 411.531 1.694 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1588768342 FDNDDFSUNAFRPH-LJQANCHMSA-N 419.533 1.293 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CCc1nccs1 1589109632 HWGQZCSJZAENGW-UHFFFAOYSA-N 404.565 1.902 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1589143098 XXLHHIAUMOVTPZ-HXUWFJFHSA-N 410.478 1.459 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 1594013571 IDMQICNGVVEHHZ-CHWSQXEVSA-N 405.471 1.469 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](COCC)C1 1595789414 SEEZRGFCSXTQDJ-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595797435 GLUGFVBJFMKERS-IKGGRYGDSA-N 412.556 1.982 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cc3csc(N4CCOCC4)n3)C2)nc1 1596979065 WDRRITTYHINUFW-INIZCTEOSA-N 412.519 1.892 30 10 HDEE N#Cc1csc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 1611469558 BMYRIVBLUYXGBA-GFCCVEGCSA-N 408.480 1.871 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@]3(C2)CC(F)(F)C3(F)F)c1 1611645006 DCANLFIPJJCOHS-CQSZACIVSA-N 405.373 1.730 30 10 HDEE CC[C@H](C)c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613345621 OSMSRJFUKDNSOP-DCOQFNDQSA-N 402.499 1.933 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1616142093 JXGJMPXZWIXGST-XOBRGWDASA-N 416.482 1.261 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1620137621 BBJYZDDXABZVHG-SFHVURJKSA-N 410.478 1.291 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1620180607 DHLGEOASDCYLOU-JJCDCTGGSA-N 422.514 1.996 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(C[C@@H]2CCOC2)CC1 1626713161 GVUIHMHKTOXVAD-AWEZNQCLSA-N 408.296 1.880 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CSc2ccc(S(N)(=O)=O)cc2)c1OC 1627357392 VHBVXHSDGBQIIG-OAHLLOKOSA-N 421.500 1.824 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C2CCC2)C1 1628782625 NTIHHMVUSJIRRV-VHEBQXMUSA-N 418.494 1.903 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1 1628787847 JTYOHVWXDXQBPP-BLLLJJGKSA-N 417.307 1.884 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H]4CCCN(C)C4)CC3)n[nH]2)c1C 1629108761 DNMLCAZCCFRPON-SFHVURJKSA-N 411.554 1.928 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CC(=O)N(c3cccc(S(N)(=O)=O)c3)C1)C2 1631763537 IIQAICZHPJWTSN-OAHLLOKOSA-N 410.455 1.101 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccn(Cc3ccccc3)c2C)CC1 1632966400 PEVWSHQNWOQVBB-UHFFFAOYSA-N 400.504 1.070 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1ncc(C#N)cc1Cl 1636578853 HHBSADKRZPBYMT-UHFFFAOYSA-N 407.883 1.462 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CCCOc2ccc(C#N)cc2OC)C1 1637068384 UDAQEOWHFCUOAF-HZPDHXFCSA-N 405.451 1.291 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]c(C#N)c1 1641023901 JHJUJIRZAAKTTJ-QWHCGFSZSA-N 414.384 1.880 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)c1 1642376112 NQMFCDVJHYRCRU-UHFFFAOYSA-N 403.460 1.841 30 10 HDEE C=CCc1cc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc(OC)c1OC 1645841875 NXXLKQHZFYHXAG-QFIPXVFZSA-N 418.490 1.522 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1648415644 MUAZFDJPVDYGDE-BONVTDFDSA-N 416.272 1.397 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)c1C#N 1648430230 KKGDLOYMXASGLC-CQSZACIVSA-N 420.514 1.788 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccnc(N2CCCCC2)c1)c1cc[nH]n1 1652880213 XWWGBQMVHSFTES-UHFFFAOYSA-N 400.439 1.718 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c(=O)n1CCO 1653037288 VPGYNWUYQSRLFP-WKILWMFISA-N 420.510 1.514 30 10 HDEE C#CC1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1659142250 FYLTUIRSWIXRGZ-GOSISDBHSA-N 403.548 1.562 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)CC(=O)OC(C)(C)C)c1 1660146534 NMQBYTJFBIJGSU-UHFFFAOYSA-N 412.508 1.581 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1670709367 GSHUNFQKWLTEIR-CYBMUJFWSA-N 422.956 1.687 30 10 HDEE Cn1cc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(Cl)cc21 1671688401 XHLXTTOBXACGPO-IFXJQAMLSA-N 420.922 1.954 30 10 HDEE C#CCN(C)CCCNC(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1 1676370607 XZIBGTGMVGIXCH-UHFFFAOYSA-N 400.523 1.944 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(CCOC)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1689629059 ZPKUXZPUCBTZJB-MIDILNBFSA-N 418.534 1.467 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCCC 1690025442 QTHCWKXVMHFTOW-UHFFFAOYSA-N 406.490 1.705 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1690136837 KFIBNZQGYMHESP-QGZVFWFLSA-N 402.543 1.088 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690179102 MSTVXHKAPSGGDG-GOSISDBHSA-N 410.547 1.831 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1690307378 YTHMYMRXAUBQGR-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690653440 QWXPIYRWXMDBCE-BBTUJRGHSA-N 405.543 1.662 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690665518 GWXDLFBBKHRCLS-HNNXBMFYSA-N 412.494 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc2c(c1)OCO2 1690671608 ZWSFDRRKNHWEFO-MRXNPFEDSA-N 413.478 1.839 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(=O)NCC)C1 1690693563 CWUFROZKZZISGC-INIZCTEOSA-N 401.515 1.622 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690738494 OTHPUOCKDPAVKY-OAHLLOKOSA-N 422.580 1.777 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1690742370 ODZPHTAUNYTGMY-HNNXBMFYSA-N 406.556 1.453 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1692662240 HAIBMERCWHHFAH-SJORKVTESA-N 408.572 1.795 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693783957 WSPHJMHHNCTPKK-HMWBCQRISA-N 409.450 1.092 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1CCCn1cnnn1 1696688626 VACKEDDIMAINTL-UHFFFAOYSA-N 400.450 1.925 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1697922428 HAXUZOBPEMIVIK-QFBILLFUSA-N 416.438 1.370 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@H]1NC(=O)CC1(C)C 1698062537 CVTYXPHHFMFDSK-QGZVFWFLSA-N 411.510 1.545 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1698172726 XTTUOMYRPPCEPJ-ZFWWWQNUSA-N 406.874 1.828 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCn1cc(CO)nn1 1705498523 XOHVVAQTYIWJPK-CYBMUJFWSA-N 400.512 1.266 30 10 HDEE C#CCCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1705521384 AHQINKLAKFNNDG-RXVVDRJESA-N 419.526 1.075 30 10 HDEE C#CCN(c1nnc(C)n1CCOCC(F)(F)C(F)F)[C@H]1CCS(=O)(=O)C1 1705561578 RLQAIERHBPTJGX-LBPRGKRZSA-N 412.409 1.130 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705571094 WPQNEDLSUIJTLW-KNBMTAEXSA-N 408.568 1.654 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(OCC(N)=O)CC1 1705708474 CSPAERGLRVDYMF-HNAYVOBHSA-N 407.515 1.267 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1705833686 QAJABETZCILXIW-UHFFFAOYSA-N 400.874 1.661 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)C)C1 1705909486 YQYGCEPFFCFHLN-JZXOWHBKSA-N 407.515 1.166 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CO)CC2)n1Cc1ccc(C#N)o1 1708729329 JVVYJGSMSFLXSE-UHFFFAOYSA-N 400.483 1.918 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1709464527 GLOGSXGFAOLHIE-FUHWJXTLSA-N 411.510 1.545 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1712615617 MNCQSTLIUPLFFH-UHFFFAOYSA-N 424.505 1.586 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1722430701 IEEUOVPFRWOLPC-UHFFFAOYSA-N 407.478 1.130 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1722507298 HUSLQVHFMQBHJG-IAGOWNOFSA-N 411.572 1.902 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1722664985 DYNOMPMILNVXIW-YLJYHZDGSA-N 424.567 1.933 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N(C)[C@@H](C)CC#N)n2CCCn2cnnn2)cc1C 1724384900 SSPLUTPOZSUIDX-INIZCTEOSA-N 422.497 1.962 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1724576397 ABSCYJVNLFUTMG-SFHVURJKSA-N 406.487 1.587 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1729498545 PGEBLEBLECEUEK-UHFFFAOYSA-N 402.409 1.997 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1730478853 CYJKESDIIOARNA-MRXNPFEDSA-N 416.457 1.272 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccco1 1736553493 DVUPZFVHBKXFSM-LCEIHVTHSA-N 401.463 1.239 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1740534660 JCIYTVNWEWRTCU-CCQWQLPESA-N 406.527 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1740563967 YFUZZTLEJNTCKC-FYQPLNBISA-N 419.570 1.817 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1740580958 LSYWIRUDHQTWDK-UHFFFAOYSA-N 421.505 1.930 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740705020 ASVKUYJBHKDICF-VFNWGFHPSA-N 401.511 1.051 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC2(C)C)CC1 1740708087 BCKPXHIBUVDLAG-QGZVFWFLSA-N 412.538 1.412 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cc[nH]n1 1740734347 ZJWYWRWFCKORBG-OAQYLSRUSA-N 421.509 1.285 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1740940868 VIHWBDJGBKSTSX-AWEZNQCLSA-N 408.503 1.393 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1740952506 GVJYUGYDEHIXFV-CQSZACIVSA-N 402.503 1.278 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CC2)C1 1740975322 ATVUALHZHXZVCQ-INIZCTEOSA-N 403.508 1.699 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1741006532 LMPKPVUQWHNWBS-KNBMTAEXSA-N 421.567 1.780 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1741428142 CWZORUMLNKTZLJ-AKKLJKOSSA-N 410.522 1.880 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1746487207 OVUIJEOHNWPKBQ-OAHLLOKOSA-N 402.524 1.821 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(C)C 1748242481 CAWPRGCGMSKYAN-UHFFFAOYSA-N 411.510 1.648 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1 1748687165 DJISHXFYIDJOSJ-KKSFZXQISA-N 400.479 1.865 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1748757539 FYXMMPAHVVCMAA-OAHLLOKOSA-N 412.460 1.887 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1748814572 GQZOHRDBYAGYQX-QGZVFWFLSA-N 414.535 1.513 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1748925308 HAGSQTYGYLKKCB-MSOLQXFVSA-N 407.584 1.762 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 1749574800 FQYSSGUNGFKTMF-IAGOWNOFSA-N 423.539 1.135 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1751097141 FDKQCDKAOZVJFR-CQSZACIVSA-N 417.539 1.876 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC1(O)CCS(=O)(=O)CC1 1751940872 CMAHVCRRQGEDIT-MSOLQXFVSA-N 415.519 1.270 30 10 HDEE N#CCSCC(=O)N1CC[C@]2(CCCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1760001437 AKPUCBYZVGFKJL-DUXSEINCSA-N 403.548 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1760112055 ABTVAFZKVRGNDC-BCOMRZATSA-N 415.567 1.679 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760188806 DEVYNSOOJMHVDE-HNNXBMFYSA-N 405.549 1.557 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760190771 YSBOSQXAPFNYQA-SJORKVTESA-N 416.551 1.384 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2)CC1 1760265058 MOFIPEWRWXOVCG-UHFFFAOYSA-N 422.533 1.739 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760527241 PSOWTLGUNNKQBF-KRWDZBQOSA-N 423.583 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(F)c1 1760554237 WRPLYGVIBBEHBJ-MRXNPFEDSA-N 421.498 1.606 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1760688316 FUINGSNXHRTOJD-NWDGAFQWSA-N 422.540 1.242 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCOC2)CCOC1 1761287438 PSEXQFFOLVWNGR-UXHICEINSA-N 405.499 1.210 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1761544697 JFBOBAREMLMKEC-CXAGYDPISA-N 417.482 1.940 30 10 HDEE Cc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)sc1C 1761602571 ABHYSIJYGJXUEL-AWEZNQCLSA-N 424.490 1.776 30 10 HDEE COCC[C@](C)(O)Cn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769562541 CMZURBYMUMNZCX-NRFANRHFSA-N 412.494 1.553 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(F)c1 1770051325 MWKVOSVOODLHCC-HOCLYGCPSA-N 419.457 1.927 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1770746510 AVBAASJYZAMHRY-RNCFNFMXSA-N 424.358 1.563 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)cc1 1770756226 AGLSNHYKZMVPOD-UHFFFAOYSA-N 421.505 1.678 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)CCN3C(=O)CCCC3=O)CC2)cc1 1849476609 DLJXGDPQRIWOAJ-UHFFFAOYSA-N 405.476 1.270 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)N1CCN(CCC#N)CC1 1850851596 WHXZLYZOBXQEHF-QGZVFWFLSA-N 412.943 1.701 30 10 HDEE N#Cc1ccc(N2C[C@H](OCC(=O)N3CCN(c4ccc(F)cc4)CC3)CO2)nc1 1851211236 CXAZNAPIRAZZMD-IBGZPJMESA-N 411.437 1.578 30 10 HDEE C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851793601 QLQHADKAVNUWEY-PXAZEXFGSA-N 416.384 1.642 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)Cn3c(=O)sc4ccccc43)C(=O)C2)C1 1854408229 FENSCMNEPZZBRH-INIZCTEOSA-N 414.531 1.384 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854455091 LXRCWPRBGPJWEJ-HNNXBMFYSA-N 405.476 1.265 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC[C@H](Cn4nccn4)C3)CCC2=O)c1 1854722798 GONYCXYOZNXLHN-OALUTQOASA-N 406.490 1.941 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C(=O)[C@@H]1C 1854735882 RXAMDCURILQBAL-JKSUJKDBSA-N 413.474 1.446 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)[C@H]3CCCS3)C2=O)C1 1854881602 UEZZVSIQLZPTDC-FUHWJXTLSA-N 400.504 1.820 30 10 HDEE C=CCC[C@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 1854941255 BYSGVAKLIPTQHY-HNNXBMFYSA-N 405.520 1.641 30 10 HDEE CCCC[C@H](F)C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855838220 KQUCTEDEBKITHC-AEFFLSMTSA-N 401.486 1.979 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855984806 KHXKPGMAKUUYEF-QZTJIDSGSA-N 401.486 1.977 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1856867539 ZIYVDGNJFIFGOE-IAGOWNOFSA-N 415.490 1.504 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(C[C@H]3COCCO3)c3ccccc32)CC1=O 1856934942 XOLABQHMDKNKRX-IRXDYDNUSA-N 413.474 1.206 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1=O 1857206826 HJVGANXRSJXKME-LSDHHAIUSA-N 422.503 1.808 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)c3)C2=O)CC1 1857305384 GEBZPDKOZHPNOC-HXUWFJFHSA-N 404.470 1.873 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2C 1865226657 ZJSIMVFQXWEAEI-QGZVFWFLSA-N 410.474 1.445 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCN(CC)CC 1870531765 MHRDRWZZMORPNU-UHFFFAOYSA-N 404.555 1.879 30 10 HDEE C#CCOc1cn(Cc2ccco2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871008532 ZXUPGILEOFDDDB-UHFFFAOYSA-N 413.455 1.761 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccccc2C)[nH]1 1871482958 QAYFYVHNSWNDSH-UHFFFAOYSA-N 403.494 1.482 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3F)CC2)CC1 1889385041 VMVNRMGEPLHJCV-UHFFFAOYSA-N 403.498 1.463 30 10 HDEE Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)ncn2)n1 1890082802 VWWZTWSESJGFQJ-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2118169594 OHCLOIWEBZKZFQ-MNOVXSKESA-N 400.423 1.512 30 10 HDEE C#CCN(C(=O)c1cc(I)sn1)[C@@H]1CCS(=O)(=O)C1 2120026691 QYDSQRZKPWMMEZ-MRVPVSSYSA-N 410.258 1.010 30 10 HDEE CC(C)(C)OC(=O)NCCc1csc(NS(=O)(=O)N2CC[C@@H](C#N)C2)n1 2137271826 LDXCRSJGQRUYMH-NSHDSACASA-N 401.514 1.712 30 10 HDEE COC1CN(S(=O)(=O)N(C)Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2161947050 JCKVBTOYSPUTMI-UHFFFAOYSA-N 402.347 1.055 30 10 HDEE C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174785888 DDYROHPJSYDELC-CABCVRRESA-N 401.529 1.872 30 10 HDEE C#C[C@@]1(Oc2nc(Cl)nc3c2S(=O)(=O)CC3)CCN(C(=O)OC(C)(C)C)C1 2184477338 MZRRZGPHGWPYKA-QGZVFWFLSA-N 413.883 1.851 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)C(C)(C)C 2197741033 XCLAYWFTBGUGFL-UONOGXRCSA-N 400.541 1.963 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243394602 KCLQUKTWKHTSSG-OAHLLOKOSA-N 408.304 1.621 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2243402846 NZAQWSYCITXFOO-CVSAEHQPSA-N 410.320 1.955 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CNC2)n1 2247832273 MFBOAMGTIIYKPJ-UHFFFAOYSA-N 410.327 1.816 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2248405125 OYVHKNCEBFXWBR-HRCADAONSA-N 420.315 1.904 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269014964 BSAYUANBMZOGEK-MRVPVSSYSA-N 409.722 1.700 30 10 HDEE CCc1nn(C)c(C(=O)N2CCC3(CC2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2281985531 MHVUOTIGLKJELV-UHFFFAOYSA-N 405.304 1.261 30 10 HDEE CN(C(C)(C)C(N)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312119 RGRWOMZMYZQXFK-UHFFFAOYSA-N 422.765 1.585 30 10 HDEE CC1(C)C[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337622 INDPXDWWZPJAKZ-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282344817 DLXDHPOBEMWERR-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@H]2C(F)(F)F)OC1(C)C 2282414856 YNIKVJYHZNOXCW-IUCAKERBSA-N 412.264 1.813 30 10 HDEE CCN(C[C@@H](C)N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282495548 NUSQNIRVEZZGAO-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE CO[C@H]1C[C@@H]1CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282497028 KUPXCNUQCPLKNL-OLZOCXBDSA-N 401.359 1.977 30 10 HDEE CNC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502808 QBRLBUBVQMLFHH-UHFFFAOYSA-N 402.709 1.006 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCN[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282504753 TYILUGUWAREVNZ-GXFFZTMASA-N 400.375 1.693 30 10 HDEE CC(C)[C@@H](O)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282828584 QWDBOPWBEKTVND-AWEZNQCLSA-N 403.375 1.874 30 10 HDEE CN(C[C@H]1CCN1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282833051 UJYPMSCYTSOOKO-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1CN(C)C1 2282833760 JVCSBJGIFYOFOP-UHFFFAOYSA-N 400.375 1.586 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](CO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282835749 YJOKVJVPFWNFFA-ZDUSSCGKSA-N 401.359 1.653 30 10 HDEE COC[C@H]1C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282845357 QYYXSQQVMDRGOO-MQMHXKEQSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CC([C@H](F)CO)C2)OC1(C)C 2282852255 MYBCDTSDSFMSDG-GCZXYKMCSA-N 405.322 1.435 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C 2282876268 ARUSZWHXJOVVEF-STQMWFEESA-N 400.375 1.760 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H]1C(=O)O 2284395938 RCLREKLJRVLNKX-WDEREUQCSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)c2)OC1(C)C 2284406740 BTVSVNSXRGSFQK-NSHDSACASA-N 401.315 1.533 30 10 HDEE C[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](F)C(=O)O 2284408676 BAEIKSUHGBMPMH-GXSJLCMTSA-N 407.294 1.384 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CC(CC(=O)O)C3)c2)OC1(C)C 2284415014 VFPDLHNDBHDWKJ-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CCF)C(=O)O)OC1(C)C 2284416275 WFKRMMDGZAWMLG-LLVKDONJSA-N 407.294 1.280 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CC(N)=O)s2)OC1(C)C 2285737712 HPQHBGDFSJCFQA-NSHDSACASA-N 400.331 1.076 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(=O)O)Cc1ccccc1 2300271204 FUDFBSKXYCPBDA-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE COc1cccc(CN2C(=NC(=O)[C@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 2320450663 PWFODRFQFCSELM-ARFHVFGLSA-N 410.517 1.471 30 10 HDEE COc1ccccc1OCc1nnc(SCC(N)=O)n1N=Cc1cccn1C 2328261517 JUUCCJOUOMBEOI-UHFFFAOYSA-N 400.464 1.664 30 10 HDEE C=CC1(NCc2nc(Br)nn2CCOC)CN(C(=O)OC(C)(C)C)C1 2328497660 DDVKJSJRJIDXPN-UHFFFAOYSA-N 416.320 1.952 30 10 HDEE CN[C@@H](C#CC1(SC)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336207667 YYFKIRQMQKEZOC-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc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c1cnn(C2CN(C3(C(=O)O)CCN(C(=O)OCc4ccccc4)CC3)C2)c1 2371361201 FHGURWXTJVFNLD-UHFFFAOYSA-N 408.458 1.977 30 10 HDEE C=CCN1CCN(C2(C(=O)O)CCN(C(=O)OCc3ccccc3)CC2)[C@@H](C)C1=O 2371364999 JAASGCDHSLVELX-KRWDZBQOSA-N 415.490 1.961 30 10 HDEE COCCn1c(=O)/c(=C\c2ccc(OC)cc2)s/c1=C(/C#N)C(=O)C(C)(C)C 12528826 DQUQDOHODSVTCJ-ZOUWJBNWSA-N 400.500 1.683 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 28645379 MMLKWXIZTGUMPS-KXKDPZRNSA-N 424.457 1.284 30 10 HDEE C=CCN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 33929908 FBUXAVNQDAOKHL-AKCBPTIMSA-N 420.537 1.978 30 10 HDEE Cc1ccc(/N=C(\N)NC2=N[C@H](CC(=O)Nc3ccc4c(c3)OCO4)C(O)=N2)cc1 40376508 BOAYTKNRQHNMAL-CQSZACIVSA-N 408.418 1.983 30 10 HDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc3c(cc21)OCO3 44361113 KERZFSLJUPYMIZ-IEBXDZTQSA-N 409.489 1.469 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)ccc1Cl 47282333 PEQCOSWADYIXIM-UHFFFAOYSA-N 410.927 1.530 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccs1 101442792 VNVDDIWAOUOLSS-YPMHNXCESA-N 413.459 1.398 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 111046145 LVZMHNUYDHWWNH-CZUORRHYSA-N 413.337 1.749 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCCN3CCN)C3CC3)nc2)OC1(C)C 204875996 NVHRWOKSHKMLBV-SFHVURJKSA-N 401.364 1.558 30 10 HDEE N#Cc1cnc2c(Br)cccc2c1N1CCN2C(=O)C(=O)NC[C@H]2C1 440658315 ZDGXLDLTCIMRMD-NSHDSACASA-N 400.236 1.016 30 10 HDEE C=CCCCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 448029510 HTFMJQHBGGCLHG-UHFFFAOYSA-N 409.508 1.830 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](Cc1ccccc1)CN(C)C 465291879 ZFPXMFCIHQFVRK-IEBWSBKVSA-N 407.522 1.741 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 476466703 YMWDMOLTYMDTBG-CQSZACIVSA-N 412.519 1.716 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CC(O)(CC#N)C1 477548113 WKDYCAYTGIWYOA-UHFFFAOYSA-N 405.270 1.123 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H]3CCC(=O)N(C)C3)c(C#N)c2N)cc1 478511594 CEXREHSJBMCXQI-OAHLLOKOSA-N 409.494 1.487 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)CN(C)C 480563792 NNZXHYODDWHWHV-LPHOPBHVSA-N 414.531 1.514 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(OC)c1 491138952 DZXKYZASGKHRGR-UHFFFAOYSA-N 418.475 1.490 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)N(C)C)CC1 508893334 IYWAJJGFNFCCCK-GHTZIAJQSA-N 401.555 1.616 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)C[C@@H]1CCS(=O)(=O)C1 525411675 XVBLJEMYWNFFSL-INIZCTEOSA-N 410.540 1.318 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 539505888 MRWWRINKHSGRMM-ZIAGYGMSSA-N 404.496 1.619 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543051523 FBJZHGOMMOKJRS-LJQANCHMSA-N 424.505 1.641 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](C4CCCCC4)C3)CC2)o1 543590867 XLBNKRAGKOONEE-LJQANCHMSA-N 401.511 1.784 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)CC1(C#N)CCCC1 544719755 CPCWZVOEXJPXCP-SFHVURJKSA-N 406.552 1.279 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(Cc2ccccc2)nn1 549733595 MNQUMVAXOAYJKO-CQSZACIVSA-N 410.459 1.504 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 553156837 ZZBHKCANXJNNFB-YGRLFVJLSA-N 415.434 1.187 30 10 HDEE N#Cc1c(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n[nH]c1C1CC1 557929475 PKLIDRDPTLJQCS-SFHVURJKSA-N 404.430 1.573 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)cc1C#N 563665095 HTTPBKBDDCZWQP-JXFKEZNVSA-N 400.504 1.830 30 10 HDEE CCOC1CC(CNC(=O)NCc2ccc(C#N)c(OC)c2)(N2CCOCC2)C1 564592365 XSTRPRVESBIBTA-UHFFFAOYSA-N 402.495 1.636 30 10 HDEE COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2ccc(C#N)c(OC)c2)cc1 575840201 JBEJFGLXIKQATL-UHFFFAOYSA-N 410.430 1.720 30 10 HDEE COC(=O)c1ccc2c(=O)n(CCS(=O)(=O)c3ccc(C#N)cn3)c(C)nc2c1 589058552 FZUZVNBGTSWBDW-UHFFFAOYSA-N 412.427 1.232 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(C#N)c(C)nn1-c1ccccc1 611348220 SQXMOPKSVTZFNG-HNBVOPMISA-N 408.458 1.977 30 10 HDEE C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(F)cc1 612820055 OLMOSJFGXUURIV-CQSZACIVSA-N 402.451 1.603 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 731851012 CKYRWYJYDMUVIR-CCEZHUSRSA-N 404.275 1.939 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1C(N)=O 732619075 KZGMJOLAWYXLJP-SFHVURJKSA-N 415.471 1.874 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C3CC3)nc21 732647464 FTBDUAOGOASJDU-HNNXBMFYSA-N 422.489 1.597 30 10 HDEE Cc1c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nnn1-c1ccc(OC(F)F)cc1 732648220 PZYSFUULOYNECU-HNNXBMFYSA-N 402.405 1.990 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CCN1C1CC1 732648727 XKZRUGOXAHHTMI-IRXDYDNUSA-N 408.458 1.274 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733805828 OQBNEEHRJGWQFN-QZTJIDSGSA-N 422.441 1.622 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 734291591 VICVXFIPRBRWFH-JKIFEVAISA-N 422.532 1.397 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(OC)cc3)c2=O)cn1 735069355 UECUWNVJDFADCV-UHFFFAOYSA-N 419.510 1.794 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746195376 CRNXKTRIPNFVET-ZCXUNETKSA-N 406.483 1.666 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775709 WKAYCVREUNKUBC-AWEZNQCLSA-N 420.535 1.124 30 10 HDEE O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCC#Cc1ccc(C(F)(F)F)cc1 750889068 CAPPRZFYQPZVDW-SRABZTEZSA-N 407.344 1.763 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCN1C1CC1 752688450 HYZUQIGSYMCXIG-GFCCVEGCSA-N 417.944 1.062 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 753820831 VZTNANCUQRNPOY-ZJEMCRNISA-N 410.478 1.257 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 759953687 JNDNXUUYMNSJAD-AWEZNQCLSA-N 413.455 1.419 30 10 HDEE O=S1(=O)N/C(=N/Cc2nc(CCn3cnc4ccccc43)no2)c2ccccc21 761372319 RBANVYBIQDRFOV-UHFFFAOYSA-N 408.443 1.901 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 765190157 VAQJVZLPPSPWDE-ZFWWWQNUSA-N 404.410 1.374 30 10 HDEE COCCN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 767338884 MRZJCTPVRMBCRE-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 767699873 OEEDVQKNGDGWIT-MRXNPFEDSA-N 424.519 1.674 30 10 HDEE C#CCN(C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774170901 IXTNOLOJYFGIHZ-HXUWFJFHSA-N 418.563 1.031 30 10 HDEE C#CCN(C(=O)c1cn(C(C)(C)C)nc1Br)[C@H]1CCS(=O)(=O)C1 779926036 OELIYFIUTKKPDO-NSHDSACASA-N 402.314 1.663 30 10 HDEE N#Cc1ccc(COC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1F 791273981 IBFVGYFZKQYLBS-UHFFFAOYSA-N 419.434 1.538 30 10 HDEE C[C@@H](C(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)n1cnc(C#N)n1 799102215 VLRXMAMJCGTLNY-AWEZNQCLSA-N 415.413 1.238 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H]2CCCO2)CC1 802681470 CXPIXAMIHOBYJJ-FXAWDEMLSA-N 409.490 1.725 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCc3ccccc3C2)cc1C#N 803882584 CYMZXCLOYUGFGL-INIZCTEOSA-N 406.486 1.746 30 10 HDEE C[C@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N(C)CC(=O)NC1CC1 805591635 XEMWAXISOCRCTB-DZGCQCFKSA-N 416.453 1.192 30 10 HDEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 807922296 ONSGZIKWELOVHM-UHFFFAOYSA-N 414.491 1.217 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 813745830 MNNAFQJGCSPPIT-QPJJXVBHSA-N 412.471 1.650 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)n1 856588857 ICSNLIBARPIEKF-GOSISDBHSA-N 408.455 1.542 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)c1 914424608 ADNSPLXIXFYFSL-UHFFFAOYSA-N 421.519 1.051 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)cc1 1125316123 GJMRMMCRMXMPMG-INIZCTEOSA-N 411.462 1.437 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)cc3C#N)CC2)cc1 1126710020 CBOXFLSRJGUBNV-UHFFFAOYSA-N 415.475 1.534 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 1133394923 WXLYACSYOHHRKY-TZMCWYRMSA-N 405.398 1.718 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(CN2CCNC2=O)CC1 1134271235 TXGMZMVRICHAMI-MRXNPFEDSA-N 407.515 1.837 30 10 HDEE CN1CCC2(CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)CC1 1141427275 JVJVXNLZEQEEHD-UHFFFAOYSA-N 404.536 1.496 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC(c2nccn2C)c2nccn2C)cc1 1147853089 FAVIGIOMWSCKRI-UHFFFAOYSA-N 414.491 1.137 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cc2OC(F)F)CC1 1152968092 YQTQYBUWSDTZQN-UHFFFAOYSA-N 423.441 1.667 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cncc(-c3nncn3C)c2)s1 1153249491 MOYKLVJDZMDLBL-UHFFFAOYSA-N 418.504 1.584 30 10 HDEE Cn1nnnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1159012312 PEDZTMLBIUSPGW-BIWSTMPVSA-N 403.487 1.046 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)c2ccc(N3CCOC3=O)cc2)c1=O 1166220866 DYFWBNBKHCKXQP-UHFFFAOYSA-N 422.441 1.392 30 10 HDEE CN(CCN1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1)Cc1ccccc1 1167337084 GRTXYNMTZQDGRV-UHFFFAOYSA-N 405.506 1.556 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(N2CCC2)CC1 1167455347 MYGXUVWWAZNWNS-UHFFFAOYSA-N 418.563 1.982 30 10 HDEE C[S@](=O)[C@@H]1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1184407166 VUDCJLGJFYPDOD-RYOHUHIJSA-N 402.476 1.179 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2sc3ccccc3c2Cl)CC1 1191503272 RCDRDCYBBIRCNZ-UHFFFAOYSA-N 411.936 1.610 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2cc(C#N)c(SC)nc2O)cn1 1255773701 WJZCVUCTLKPXEE-PGGUUEOZSA-N 405.505 1.543 30 10 HDEE C#CCCCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286335435 QHNXNVPNYGLKAH-LEWJYISDSA-N 404.511 1.729 30 10 HDEE C#CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359299 BJHHTHLVFQPXCD-OAQYLSRUSA-N 411.510 1.460 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1286362945 LDYIMFUOSLKIMT-IBGZPJMESA-N 403.508 1.491 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1286383403 MJHWHHICXPTIPP-CQSZACIVSA-N 413.425 1.675 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286389772 QGNNDMCPDDXUCY-INIZCTEOSA-N 417.535 1.700 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286394732 KDZQIIXMUMXIGF-ABSDTBQOSA-N 424.567 1.789 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)Cc1ccccc1 1286407250 GQIOWOXJZHQMFI-AZUAARDMSA-N 404.518 1.823 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1286412440 AUJLGMKFGLGBBD-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCCOC 1286430669 IQEKRDBLRMIVDN-LJQANCHMSA-N 409.490 1.713 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286450332 FCHDPYMPUXVECI-LJQANCHMSA-N 422.482 1.005 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1 1286467936 XNOYDDLCVOUWMT-QGZVFWFLSA-N 420.510 1.762 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1286478580 DMSJTPPDBZQJCW-IBGZPJMESA-N 400.571 1.802 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286712245 UVSGLFSXRKCWIY-KZNAEPCWSA-N 423.583 1.446 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@@H](C)C1 1286784082 VXKXQAWKYGWRDR-GASCZTMLSA-N 407.482 1.315 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1286786180 ZJITWXKDRGBACR-HNNXBMFYSA-N 421.505 1.406 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1286863079 CLNFPEWIBXAYJT-UHFFFAOYSA-N 407.522 1.971 30 10 HDEE N#C[C@]12CN(C(=O)c3cn(-c4cccc(Cl)c4F)nn3)C[C@H]1CS(=O)(=O)C2 1289437434 WFYWZNYEAYEJIW-MGPLVRAMSA-N 409.830 1.070 30 10 HDEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cs1 1292694657 IDNUFIVHLFJJPI-AWEZNQCLSA-N 403.512 1.407 30 10 HDEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1292890957 FINMEMWKWVQCFW-SFHVURJKSA-N 417.535 1.800 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 1293033175 VHCKTWVEGGYXTL-SQFISAMPSA-N 417.365 1.236 30 10 HDEE COC[C@]1(C(=O)NCc2ccc(C#N)c(OC)c2)CN(C(=O)OC(C)(C)C)CCO1 1297520077 LMSUJBFHTUMSIP-NRFANRHFSA-N 419.478 1.836 30 10 HDEE CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297573391 YYJHLYZAUXPLED-SFHVURJKSA-N 411.510 1.802 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1ccnc1C 1300559530 RYLMVUGNJAGQSN-JOCHJYFZSA-N 410.522 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1300584537 VAFLGKRONHKRJU-QIJZPMMNSA-N 419.529 1.747 30 10 HDEE COC[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)OC 1301011357 CCIKVHGBTPQDHM-KGLIPLIRSA-N 411.466 1.994 30 10 HDEE COc1nsc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1Br 1301193145 YTZLUUZWFWFVBQ-OUKQBFOZSA-N 415.269 1.447 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301451834 CMDBICYHYXPASS-VQTJNVASSA-N 418.586 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C)C1 1301492271 COKUTGQNONKWAK-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301578481 BYGAIKJUCGEQCJ-GDBMZVCRSA-N 408.528 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301586439 SYCNLJKACBOQJT-JXFKEZNVSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1301622337 FLEARIKRFPMUEK-DNVCBOLYSA-N 409.556 1.564 30 10 HDEE CS(=O)(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1302496308 CFPHRNCPHXFXOX-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE CN(C)S(=O)(=O)CCN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1308124303 KYECLWUGVKGYEK-OCAPTIKFSA-N 404.323 1.981 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 1312468426 GCHRDPNWYZXEFM-BDAKNGLRSA-N 404.349 1.647 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1314964136 DUCUBOQMXVJXTG-JOCHJYFZSA-N 418.505 1.869 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1316125256 HIODYKYAFCMFDZ-UHFFFAOYSA-N 421.509 1.267 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 1320595073 GJORWXGRIRXQOG-ZCXUNETKSA-N 405.842 1.416 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)c2cn(CCO)nc2C2CCOCC2)c1OC 1328858240 OUNKAERPXFCVAV-QGZVFWFLSA-N 414.462 1.781 30 10 HDEE CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1352019095 MRYVICCBUXJZMQ-CABCVRRESA-N 401.529 1.999 30 10 HDEE CC(C)NS(=O)(=O)CCNC(=O)COc1cccc(Br)c1C#N 1356546184 BHDUTVWRPNVKAO-UHFFFAOYSA-N 404.286 1.144 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1358870273 JLCVTDFUVXHBKD-CQSZACIVSA-N 418.461 1.922 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1358961767 DZVODLGPHBYQPK-HOTGVXAUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1359007709 SJZZDMYBFCEXGH-OAHLLOKOSA-N 408.462 1.067 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C)nc2)CC1 1359030210 QPAIKQYKTVFCLQ-HSZRJFAPSA-N 424.549 1.826 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCN(CC)CC2)CC1 1359167731 SGRXUUMSTJMKJT-UHFFFAOYSA-N 415.586 1.585 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359226781 MJZXAUAXSHBNBH-ROUUACIJSA-N 418.542 1.123 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1359250537 NAUUXTMJYGIPLP-QGZVFWFLSA-N 415.519 1.836 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnc2C)C1 1359312059 MUTHEHZOTOKCFQ-SFHVURJKSA-N 413.526 1.891 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)C1 1359322310 SWUGBFIKDRIOHX-CABCVRRESA-N 412.581 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccco1 1359331970 LNKJQTAQZBFWMR-KGLIPLIRSA-N 407.496 1.620 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359721777 FFAGKJYUHNPEJV-NVXWUHKLSA-N 400.458 1.614 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC12COC2 1439087413 ISPIKQXEWHUGJS-HNNXBMFYSA-N 407.264 1.901 30 10 HDEE Cc1cc(C(=O)NC(C)C)ccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1442074544 HLKFLKVFDVQYRS-UHFFFAOYSA-N 414.487 1.922 30 10 HDEE COCCN1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1444213420 HIQHDFAOLQTRET-INIZCTEOSA-N 407.312 1.594 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CN(C)CC3CC3)C2)s1 1445291120 BIRVFWWFCPOKAO-MRXNPFEDSA-N 411.593 1.945 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1457963219 AFHAKZKBBKSEOL-KRWDZBQOSA-N 417.487 1.337 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(NC(=O)OCC(F)(F)F)ccc1O)C(=O)OC 1467516829 VVYLKALUPRIQSG-LBPRGKRZSA-N 420.340 1.977 30 10 HDEE C[C@]1(c2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)NC(=O)NC1=O 1471226250 GUCDZZFKMSDOCG-JOCHJYFZSA-N 421.432 1.714 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)c1 1471624923 YABWQANMHDYPLM-QGZVFWFLSA-N 406.504 1.304 30 10 HDEE Cc1nc(C(C)C)sc1C(=O)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1471659701 AZMBFAACRWNQOE-UHFFFAOYSA-N 420.516 1.613 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1475437402 NRCQPJCFUDAWDD-LBPRGKRZSA-N 410.439 1.561 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1478463146 UHERERGKQURILR-ICSRJNTNSA-N 402.495 1.647 30 10 HDEE CCN1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502354289 FULILDCLFHDELF-SFHVURJKSA-N 413.526 1.603 30 10 HDEE CCO[C@@H]1C[C@@H](N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1502939704 DRLNIWBIXMQIDM-NLZFIBQQSA-N 414.510 1.897 30 10 HDEE CO[C@]1(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1504049756 HIJFZDCCFACOSV-NRFANRHFSA-N 407.478 1.992 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507593846 VOASUESVTDQFBS-GOSISDBHSA-N 415.538 1.836 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC(C)(C)C 1507658846 HXAJNCCVTNNMAY-WMZOPIPTSA-N 401.511 1.380 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1COCCO1 1507762249 XMPQCKQZBHFWQP-DUXKGJEZSA-N 404.511 1.726 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1508089203 IZPIMZRNYOKGTP-IEBWSBKVSA-N 416.570 1.785 30 10 HDEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1515129625 LYFKRXUEKYUMCA-RIFZZMRRSA-N 404.515 1.658 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncc(CC)s2)CCOC1 1516219945 DTNLAZJPGHXOAQ-LIRRHRJNSA-N 418.523 1.726 30 10 HDEE CCSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1516926488 OUNGMNMRQNRZEQ-CYBMUJFWSA-N 400.574 1.771 30 10 HDEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1517165053 CDWAHVHQBULDCS-UHFFFAOYSA-N 414.491 1.938 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(F)(F)CO1 1519160592 CHRYNUNDTHOTLB-AWEZNQCLSA-N 412.441 1.305 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1519326401 MVMWGGORGLHOAK-CHWSQXEVSA-N 423.424 1.507 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)C1 1521062963 LODQPXHPTFGVHL-FUHIMQAGSA-N 406.506 1.461 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CCO1 1521128488 DCZAEICIUYQMGK-DLBZAZTESA-N 402.499 1.303 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1528304971 IEMFACWBKKWBHI-FQEVSTJZSA-N 415.538 1.306 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)Cc1ccc(Br)cc1C#N 1536220646 DQWFDNXXEFMQNC-SFHVURJKSA-N 410.312 1.669 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CCCOc1ccc(C#N)cc1OC 1536783055 OSVMVTHTQODLFH-HNNXBMFYSA-N 403.435 1.006 30 10 HDEE CO[C@@]1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCS(=O)(=O)C1 1538275209 ZOJNSPWCKDLGKH-LJQANCHMSA-N 407.492 1.033 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)O1 1538284232 IVEHXJMGPYKGSU-HRQSHJORSA-N 417.481 1.945 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3nc(C#N)cs3)n(C)c2)C1 1538824069 AKKPSMPYKBTNEO-LBPRGKRZSA-N 407.521 1.704 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1538970579 COMLTSVLXTYNER-ULQDDVLXSA-N 418.567 1.871 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539072196 MXINBXFHKPTLMV-IRXDYDNUSA-N 409.556 1.494 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539211249 JSQUKNBUJRVTOV-QGZVFWFLSA-N 400.504 1.487 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1Cc1cn(C2COC2)nn1 1539327937 IVCMXSUFNMYJRB-UHFFFAOYSA-N 415.501 1.851 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1539344646 FREANVPWMLEGMF-JOCHJYFZSA-N 411.506 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1539415825 HKGLWUHCZXZJOG-KRWDZBQOSA-N 418.519 1.342 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(C(=O)NC)c2)n1 1539424602 UNAUTHKGKSZXRY-UHFFFAOYSA-N 421.505 1.477 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1540051566 IEXIKIXTYBCOAP-UHFFFAOYSA-N 415.523 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC2(CC1)COC(=O)N2 1540867041 INIQHMHVYCLJJN-UHFFFAOYSA-N 410.478 1.635 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540867968 NSZWYFDVATYKIV-RBUKOAKNSA-N 411.506 1.940 30 10 HDEE C#CCN(C(=O)c1nc2ccc(Br)cn2c1F)[C@@H]1CCS(=O)(=O)C1 1542211409 WXPSXXMUJLXTLQ-LLVKDONJSA-N 414.256 1.498 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1545687305 FLKHRADAQDXSDN-CQSZACIVSA-N 413.530 1.132 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 1546069489 NNULXRYGIZKKJY-NVXWUHKLSA-N 421.471 1.050 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1CC2(CCOCC2)C1 1555556690 GNKSYRLGIBSCRW-QGZVFWFLSA-N 416.526 1.802 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1559668541 CVULRMVPNQYFOU-OAQYLSRUSA-N 415.515 1.997 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1560209689 VBEWIJMWIGTFSP-HXUWFJFHSA-N 415.559 1.496 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ncc(Br)cn3)CC2)nc1 1565440108 HRZKRSSTYRWSTN-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 1583545482 BTGMZLZPOJLDOI-BJZITVGISA-N 414.487 1.657 30 10 HDEE C=CCn1cc(CNC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)nn1 1585555640 NKOOVRXUPRDEGO-UHFFFAOYSA-N 421.498 1.901 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C1CCOCC1 1587810084 NVYNWLMSMSPXLH-VGSWGCGISA-N 413.474 1.315 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1588265750 GOGSMYQOTQHXOW-UZLBHIALSA-N 419.551 1.646 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CC1 1589216658 ULKHFJQMWIZDGU-YLJYHZDGSA-N 406.552 1.989 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1589481734 BWNLSMXKKIDMHE-STQMWFEESA-N 419.345 1.479 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594824641 OFVVMJVIUUVFRS-FGTMMUONSA-N 403.527 1.854 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](CC)C1 1595577075 IHLPBMZUPIGYEI-MRXNPFEDSA-N 403.556 1.774 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCN(CCC)C2)C1 1595714387 NOIYRGDDVODCHO-RCCFBDPRSA-N 402.543 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CCC 1595798907 VIKXYUGPRLJHGC-LSDHHAIUSA-N 418.585 1.406 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1597958688 FTDZNJTYBCPAGJ-UONOGXRCSA-N 402.517 1.114 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1608405205 GEVSSSJOMICYCN-JXFKEZNVSA-N 421.521 1.359 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1612878803 XSGUBFSVHOOVCX-QFBILLFUSA-N 424.505 1.679 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1615093974 DZVJFWLWHYFEFL-FQEVSTJZSA-N 416.457 1.883 30 10 HDEE CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1615865301 HXRWYVPPENJNKL-LSDHHAIUSA-N 418.523 1.224 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(OC)cc2C(C)C)CC1 1622257270 YZJXSHXKFDEFRM-UHFFFAOYSA-N 407.536 1.183 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)cc3F)CCO2)cc1 1622394155 HIYOWTATCQUOIA-KRWDZBQOSA-N 424.475 1.863 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CN(c3ccncn3)C2)cc1 1622886561 KKVHLBMCQCMSFV-UHFFFAOYSA-N 402.480 1.293 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1624565291 NMXTURLXAHFWBW-IAGOWNOFSA-N 403.435 1.328 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1626744057 FVDUQCJXFPLGAO-INIZCTEOSA-N 413.459 1.279 30 10 HDEE Cn1c(=O)oc2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c(F)cc21 1629535478 AJEIFWRDBUEIQK-UHFFFAOYSA-N 407.354 1.959 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1632067789 XQNUXJGKBIBHHN-CYBMUJFWSA-N 413.883 1.258 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1634640369 CPDCCJBMQQRLMX-XEDBTPMOSA-N 412.534 1.756 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)C1=O 1635210044 ROMSRUJQUFKUHV-KGVIQGDOSA-N 415.490 1.394 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 1635882234 QGRLJKJDUVHBLD-UHFFFAOYSA-N 421.432 1.712 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c(C(=O)OCC)c2C)s1 1636025318 XEFNYCDUXKXYKN-UHFFFAOYSA-N 412.493 1.602 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)[C@H](CO)C1CC1 1636117279 HNUWGWHYSLLDBC-VQIMIIECSA-N 405.520 1.419 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 1638075988 XGAZLBVDQORNDZ-RBUKOAKNSA-N 403.548 1.610 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cc3nn[nH]c3cc2F)c(=O)c1C#N 1638640310 DLSBSQSOSVLLJA-UHFFFAOYSA-N 405.187 1.894 30 10 HDEE Cn1ccnc1[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1638949195 OHDFSOBXRGWKJI-MLGOLLRUSA-N 406.439 1.507 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ccccc2[C@@H]1CO 1639190621 ZCJDPWXXXRZVRN-INIZCTEOSA-N 415.471 1.070 30 10 HDEE C[C@H](C(=O)N1CC[C@](O)(CC#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1639946810 SXIWIVOZAMLYQX-BMLIUANNSA-N 406.236 1.311 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1ccnc(C#N)c1 1640009983 XMYRYDCUGWZCQJ-AQNFWKISSA-N 406.364 1.555 30 10 HDEE Cn1ncnc1CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1640050680 DNIFEPLALIBBBI-UHFFFAOYSA-N 403.284 1.634 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC(F)(F)C2(O)CCCCC2)c1 1641920556 OEAJZLSJCAOOMT-UHFFFAOYSA-N 401.435 1.283 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC1CCN(S(N)(=O)=O)CC1 1642515125 NIBNTEKEFPACLC-UHFFFAOYSA-N 407.414 1.668 30 10 HDEE CCOC(=O)c1nnn(C2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c1C(F)F 1643355009 CDGUTFRWTZFUPE-GOSISDBHSA-N 411.409 1.876 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(CC3)COCCO4)C2=O)cc1 1643503746 IDOADSSWVYLODB-KRWDZBQOSA-N 412.446 1.171 30 10 HDEE N#Cc1cncc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 1645029677 BOWOUXADNDKFFB-QGZVFWFLSA-N 400.460 1.341 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C2CCOCC2)C2(CO)CCC2)CC1 1653975961 NEZSKDZCDQKZHJ-PZJWPPBQSA-N 406.571 1.226 30 10 HDEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1CC(O)(CC#N)C1 1654251737 UXDINOJTLPOEKO-UHFFFAOYSA-N 418.494 1.219 30 10 HDEE CNC(=O)NC[C@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1654268068 XNBRQWYPTZTRQC-KBPBESRZSA-N 419.551 1.845 30 10 HDEE Cc1oc(NC(=O)CN2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)c(C#N)c1C 1654697560 ZHSOIABZKBAEGA-UHFFFAOYSA-N 417.466 1.128 30 10 HDEE N#CC1(C[C@H](O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)CCOCC1 1655830541 YPICOPVGZPEOJO-SQWLQELKSA-N 410.458 1.499 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OC 1664237764 OPZYLEDYLWWHGO-BZQUYTCOSA-N 403.526 1.722 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCOC3=O)CC2)cc1 1667321705 DOBRKPMBSYCKIC-UHFFFAOYSA-N 422.507 1.942 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1682362340 YINADGJYVWHNOV-ZWKOTPCHSA-N 400.527 1.353 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)c1ccc(Cl)cc1F 1682366411 FTPZQAOYBBISFQ-QGZVFWFLSA-N 408.861 1.533 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)nn1 1682390119 SDEIWQBGVVMKPJ-KRWDZBQOSA-N 414.466 1.082 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CC1 1683180739 AZCFZCMQAPZVQB-LJQANCHMSA-N 409.494 1.658 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1686315515 QVQOUJLMGARMID-LPHOPBHVSA-N 422.551 1.408 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1689892694 LNHCHEDUNVHZEK-KRWDZBQOSA-N 411.572 1.897 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1689985813 CCZZENFOFNLONR-HOTGVXAUSA-N 417.560 1.720 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCCn1cnnn1 1690026748 KOGCLFGXIVFKFB-UHFFFAOYSA-N 404.478 1.624 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(=O)N1 1690031624 QWKFHSSGIGTBFW-LJQANCHMSA-N 418.501 1.889 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690174543 DZFVEBNCYNVAAP-RCCFBDPRSA-N 405.568 1.305 30 10 HDEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690344438 RLLYJPYGYROZMZ-UHFFFAOYSA-N 408.934 1.861 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690720550 LXYJACPTXSYUOD-MRXNPFEDSA-N 417.535 1.521 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1690752757 PUGORQUAHLWDLF-JYJNAYRXSA-N 410.540 1.921 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1690810321 XBDUOIMEXQVOJW-SQGPQFPESA-N 404.490 1.873 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCCC1 1692776429 RIXXHUDQKFMMJK-HNNXBMFYSA-N 424.571 1.978 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1695501417 WJLHCJMTYDMIFY-SFHVURJKSA-N 401.402 1.774 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1697980425 GTHODWNXNHMEAI-UHFFFAOYSA-N 407.482 1.734 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCS(=O)(=O)C1 1698227177 AFGIQSSGDITWLM-UGUYLWEFSA-N 411.528 1.175 30 10 HDEE C=CCCOCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701067063 DAZVXYHQACNZRZ-JBCKWKTNSA-N 418.534 1.515 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2C[C@H]2CF)CC1 1705644564 VJDRMHUNFZWRJT-DOTOQJQBSA-N 418.517 1.693 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCCOC)CC1 1705650585 URLONMQTZFAOHX-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1705705555 IWEORZDRTHXICH-LPHOPBHVSA-N 419.551 1.726 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705734628 VZTJTAIMDMBZJO-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1705736969 HKUYEIPMXNREPM-APWZRJJASA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 1705901754 VQSGXYVSFYUHJX-LBPRGKRZSA-N 400.405 1.310 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1705904577 SCSWKIQHAQSCAS-UHFFFAOYSA-N 400.483 1.443 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1705906035 PURJMUUKCYAZJK-BTYIYWSLSA-N 416.526 1.636 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707904624 FEABHNHXYFQVFB-QZQOTICOSA-N 421.505 1.830 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1710483697 OGMRBSWUFPHEEH-KXBFYZLASA-N 418.885 1.756 30 10 HDEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1711015596 HKDSLTIYBCGDHL-IBGZPJMESA-N 410.526 1.095 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncccc1N(C)C 1722387906 RBLRHMPAVAAAPY-PXNSSMCTSA-N 408.506 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1722392482 NBXYTJGQZPJJSU-UHFFFAOYSA-N 416.485 1.529 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](COC)OC)CC1 1722434022 KBUHZEGDCAHHIL-SFHVURJKSA-N 414.466 1.270 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CCN(CC)C2)CC1 1722434678 XKXHNYJKXXCZBT-GOSISDBHSA-N 423.521 1.950 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1722441041 FUXCNJPPMWGDFA-HSZRJFAPSA-N 420.517 1.645 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722452736 VXCQECITIKSAFO-HNNXBMFYSA-N 413.613 1.924 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1722554376 DSLOPOCOGXDIBT-RUXDESIVSA-N 421.926 1.548 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC)[C@H](C)C1 1722701156 HZAMOCFBBMIOBT-GOSISDBHSA-N 412.538 1.732 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)C1 1722714130 LABONIXYQZWLRJ-ZWKOTPCHSA-N 402.543 1.885 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1729414694 DXIQLVYCZJZJHH-OALUTQOASA-N 424.505 1.559 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CCO1 1729678417 CLLMESZUWACZQK-KRWDZBQOSA-N 407.434 1.113 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1740600501 LUDVUMRLVNNKOY-ZDUSSCGKSA-N 407.496 1.023 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnnn1CC1CC1 1740662785 QKUNXSLXHHJQLT-UHFFFAOYSA-N 422.493 1.867 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1740674232 YZQMQBZQWLITMU-UHFFFAOYSA-N 404.474 1.901 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCOCC)CC1 1740706883 HBNCNRWVACYJFU-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740990681 CWIGATODJMAXTI-QGZVFWFLSA-N 420.539 1.458 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1741113262 IOSGINKMTVVTQB-IBGZPJMESA-N 423.521 1.648 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCCCCC1=O 1741634752 HKDKQFLICKRMPK-INIZCTEOSA-N 403.531 1.947 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1OC 1748670036 QVASNPNUTXSIGJ-MRXNPFEDSA-N 414.466 1.217 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748821427 QKOICSXMHUKVIZ-QGZVFWFLSA-N 422.576 1.720 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1748831725 VMRPWFXGLGCIBU-UHFFFAOYSA-N 422.445 1.208 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1748879828 DKKZDGMYPPJWBG-UHFFFAOYSA-N 421.501 1.699 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1749001115 IXFWXLCSYURNHT-MSOLQXFVSA-N 417.554 1.593 30 10 HDEE C=C(C)COCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1749241370 KTVQXAZOYWAKBP-NRFANRHFSA-N 419.526 1.334 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1(=O)=O 1749601079 WTSZBGPCRHFJSW-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 1749754496 OBXPWOUUBSWASR-OAHLLOKOSA-N 414.539 1.265 30 10 HDEE COCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1749847439 BRUNJHXPOQPPAB-UHFFFAOYSA-N 404.478 1.504 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1749852893 WFWYORQKNOOFAV-NRFANRHFSA-N 410.478 1.291 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1750103108 ZVDMRMGFBGKADN-DVOMOZLQSA-N 407.496 1.900 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C1CC1)N(C)C 1750154136 GZHKAHXOLQMXEG-XSLAGTTESA-N 404.515 1.071 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC2(O)CCOCC2)c1 1750380918 BUIKBPFPPKVTCA-UHFFFAOYSA-N 424.505 1.450 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760136296 TYIHZPFSOCNQMF-SFHVURJKSA-N 421.549 1.933 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1760227885 OVUVDOVSOKOTDY-UGKGYDQZSA-N 418.586 1.416 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)OC(C)(C)C 1760247724 MIXSZCHWDCHXEQ-UHFFFAOYSA-N 403.487 1.289 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(C)o3)n2CC2(O)CC2)n1 1760252431 NPMSFXPUNDYIPR-UHFFFAOYSA-N 410.478 1.854 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccc(OC)cc2)CC1 1760260154 MOFZWVUFGFOUMR-FQEVSTJZSA-N 422.533 1.626 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@](C)(O)CCOC)CC1 1760263142 PGRZAUJJPVOZAA-HXUWFJFHSA-N 403.552 1.473 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOC(C)C)CC1 1760272017 VWELXHQCZKVEKT-UHFFFAOYSA-N 410.522 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1760293984 KGYYMMZBSQLEFY-HRAATJIYSA-N 412.538 1.870 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1760441141 YXBQVUCRKDQIMK-INIZCTEOSA-N 409.556 1.628 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760564991 LKVHFQZJEZOUME-UZLBHIALSA-N 420.583 1.449 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760821164 GSDRUOLRQKUSSN-MSOLQXFVSA-N 424.505 1.747 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2cnnn2C)CCOC1 1761281970 ZWKVBKMCVCGVGZ-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1=O 1766135462 PZVMFDCFSMLODB-GOSISDBHSA-N 421.505 1.544 30 10 HDEE CN(CCn1cccn1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767376394 PKZSMQPEVYVIEX-CZIZESTLSA-N 424.509 1.795 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1768669148 PGNDBKXRNAAOLM-IAGOWNOFSA-N 413.478 1.966 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1769285308 UVXQHMKTJFZLCX-ROUUACIJSA-N 414.485 1.965 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@@H]2CO)C1 1770730929 HOFXCWZYQVPQAS-MBOZVWFJSA-N 406.506 1.808 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C2=NN=C[C@H]2C1 1772789819 XZCITLTXUSQWNL-FZMZJTMJSA-N 412.402 1.664 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3nccc(-c4cccc(C#N)c4)n3)C2)cc1=O 1851374733 BBBCRRPMJNGSGP-KRWDZBQOSA-N 415.457 1.964 30 10 HDEE C[C@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCC#CCN1CCOCC1 1853187137 PZECENKTARRICT-KRWDZBQOSA-N 409.527 1.243 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccc(N(C)C)nc2)C1=O 1854082468 QSGKSWPNOZYWSE-ROUUACIJSA-N 413.522 1.388 30 10 HDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 1854086355 NKRXQMMFOBLZIK-FUHWJXTLSA-N 403.504 1.444 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@H](F)C2CCCC2)C1=O 1854283920 QEZSGZLYRVEKAF-QZTJIDSGSA-N 414.485 1.515 30 10 HDEE CCn1nc2c(c1C(=O)N1CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC1=O)CCC2 1854948837 AXNKYCKEBJIHCK-IAGOWNOFSA-N 412.538 1.443 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(Cc3ccccn3)CC(F)(F)F)C2=O)CC1=O 1854967606 NORMNIBLZDOSEH-GOEBONIOSA-N 424.423 1.608 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)cc1 1855724850 LWQHPNZMLUJJBL-OAHLLOKOSA-N 407.492 1.080 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)ccn1 1856163929 ICBXVPZLCKVULS-HNNXBMFYSA-N 424.482 1.771 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)c1 1856211498 CRUFCRZSIDFAKN-QGZVFWFLSA-N 405.476 1.798 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)n2)cc1 1856532808 ZQSSYYGMHHIUIQ-DOTOQJQBSA-N 405.462 1.338 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857228255 OBTTYPKBMXSTCH-RHSMWYFYSA-N 400.479 1.261 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)Cc3cccnc3)C2)C1 1857468950 LVNABNAGCIESRQ-QGZVFWFLSA-N 405.458 1.419 30 10 HDEE C=CCn1cc(OCCOc2ccc(Cl)cc2)c(=O)cc1CN(CCO)CCO 1870457121 YZJRNGFICCVGSX-UHFFFAOYSA-N 422.909 1.932 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1OC 1872597079 HEEMUUIHYCTLSL-KRWDZBQOSA-N 404.488 1.896 30 10 HDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2C)C1=O 1873101680 JAQLXGAHVHTYQP-UHFFFAOYSA-N 411.483 1.698 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873593699 UTADXVDPITTZNI-HZPDHXFCSA-N 400.527 1.912 30 10 HDEE O=C(O)[C@@H](CCS)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942094494 FUQCABCWQQRSEW-CQSZACIVSA-N 414.505 1.145 30 10 HDEE C=C(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCC)B1OC(C)(C)C(C)(C)O1 1991971712 VRQZLTWOHSHJGT-CYBMUJFWSA-N 412.292 1.747 30 10 HDEE N#Cc1cncc(C[S@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074701914 JZPIRSFAEIMTMT-YMGMXPECSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2118163782 NRTFXIVEEBRNIG-VWLOTQADSA-N 406.530 1.184 30 10 HDEE COCC1(CNS(=O)(=O)c2ccc(C#N)s2)CN(C(=O)OC(C)(C)C)C1 2121537675 NWGZQZUXHJCJSC-UHFFFAOYSA-N 401.510 1.782 30 10 HDEE C=CCC1(NS(=O)(=O)N(C)CCC(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2162441353 GVITYCGMJXUZCL-UHFFFAOYSA-N 405.517 1.573 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@@H](NS(C)(=O)=O)C2)OC1(C)C 2172711868 QOLWQYMMUIEVPG-GFCCVEGCSA-N 401.725 1.162 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)C1 2174786574 LASDIJHHHZEEJM-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446344 HCZQXVVFQKUADI-DAYGRLMNSA-N 403.545 1.710 30 10 HDEE Cn1nc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2243384746 VQZLUTWGDVQGSR-RYUDHWBXSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390661 ZAZPBGGPXTVCCL-UHFFFAOYSA-N 406.292 1.420 30 10 HDEE Cc1c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247774221 UWUPFMFCCBLXTF-STQMWFEESA-N 420.319 1.423 30 10 HDEE CC[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247823436 OUOOGJGWKWVWMX-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cn1nc(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2255840285 KIVMCYCBPMASSN-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE CN(CCN)S(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267720847 NZESCQGZPHZIST-UHFFFAOYSA-N 409.144 1.872 30 10 HDEE CNS(=O)(=O)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281979370 CUUOIKQBNRUXKD-UHFFFAOYSA-N 420.749 1.074 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCC12OCCO2 2282011991 PNXZXLSYUPSSCW-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2282189732 CDOYMIURLSXYFB-UHFFFAOYSA-N 413.248 1.712 30 10 HDEE Cc1ccc(S(=O)(=O)N=[S@](C)(=O)CCN)c(B2OC(C)(C)C(C)(C)O2)c1 2282307747 HSCZOIPANWLRTM-RUZDIDTESA-N 402.347 1.039 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CCN(C)C 2282315359 MTXRVDWYULLHJO-LBPRGKRZSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](C)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282328117 SOUGPBVYFSQNHN-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE CC1(C)[C@@H](N)C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330823 FUPXPPYVDSYJGV-YPMHNXCESA-N 400.375 1.699 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C 2282334125 XPUAJYWHMDNBRL-AGIUHOORSA-N 400.375 1.807 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282495015 GMEHZFSXWNYJKO-KWQFWETISA-N 415.264 1.637 30 10 HDEE C[C@@H]1CNC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282501262 VENKVOGYHJIRPG-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CCCN3)ccc2Cl)OC1(C)C 2282502638 OAPOAWLXNYIVKM-LBPRGKRZSA-N 400.737 1.670 30 10 HDEE Cc1nc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282520977 UWOJBNITUUHCNN-GILQPQBKSA-N 400.246 1.217 30 10 HDEE CC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(N)=O 2282827578 AGWNQAOXEMYLRV-LBPRGKRZSA-N 402.709 1.181 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H]1CCN(C)C1 2282829735 JJLVRYYAWQCYPB-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]1C(C)(C)O 2282831488 LFWCOIHKNKEESJ-CYBMUJFWSA-N 401.359 1.890 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC1(F)F 2282839455 DPFMVQCLIWQICS-NXEZZACHSA-N 408.301 1.905 30 10 HDEE C[C@H]1C[C@H](CN)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855202 AUHBLHHQFAXTAM-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)OC1(C)C 2282859858 RMLUQQCORBFXRT-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CN1 2282867221 VPQJGJFRWWPUQY-NWDGAFQWSA-N 400.737 1.668 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)OC1(C)C 2282876711 HTILBWWKJNTMOK-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(C(=O)O)CCCC2)OC1(C)C 2284396183 BHWOWQMEZBVBQA-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284404315 YFLNKUCHGFABFQ-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2sccc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c3ccccc3)C2)CCN1C1CC1 2372874836 CQBIPMKMWSLVLZ-UGKGYDQZSA-N 412.490 1.915 30 10 HDEE O=S(=O)(/N=C1\C=CC=CC1=C(N1CCOCC1)N1CCOCC1)c1ccccc1 18044880 PLKYKGDYPDCPKY-LSDHQDQOSA-N 415.515 1.818 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 111046628 CPEAVSQBYKPCIT-KRWDZBQOSA-N 404.467 1.381 30 10 HDEE CCNC(=S)NN=Cc1ccc(OCC(=O)N2C[C@H](C)O[C@H](C)C2)c(OC)c1 254443683 SGDGTFZNGVVNGZ-OKILXGFUSA-N 408.524 1.528 30 10 HDEE Cc1noc(C2CCC(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 440002851 FVONDCCINHILBD-UHFFFAOYSA-N 417.491 1.945 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)NCCOc1ccc(C#N)cc1 465466866 FLQLKVZFAWHUPS-UHFFFAOYSA-N 402.476 1.687 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)CN(C)C 480563794 NNZXHYODDWHWHV-QFBILLFUSA-N 414.531 1.514 30 10 HDEE CCOC(=O)c1c(NC(=O)NCc2cccc(OC)n2)c(C#N)cn1CCOC 481478502 OYQQVZGSIRBHFI-UHFFFAOYSA-N 401.423 1.908 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCCO4)C2=O)cc1 488645663 GBMRECHYSHFRGI-IBGZPJMESA-N 418.453 1.739 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 499203535 HMOZMJKZENFYCK-AWEZNQCLSA-N 422.888 1.278 30 10 HDEE N#Cc1ccc(NCC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 501416618 IMDOGXWVCVJCIY-LEWJYISDSA-N 403.486 1.685 30 10 HDEE Cn1cnc2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ccc21 509871745 UMADIQAZHJXEJY-UHFFFAOYSA-N 409.471 1.592 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 517985537 HWQRPAFPVKOQQT-UHFFFAOYSA-N 423.538 1.912 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 526110931 DGJQXKYHNUALRP-OFLPRAFFSA-N 421.523 1.366 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 531068703 BFEGUEXVTCFPEC-UHFFFAOYSA-N 400.460 1.899 30 10 HDEE CCNC(=O)COc1ccc(CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 545551376 ANEKGFPVRIFWGL-UHFFFAOYSA-N 409.490 1.799 30 10 HDEE CN1CCN(C(=O)CC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)CC1 553756462 ZDFLLKFSJRIRTD-HXUWFJFHSA-N 400.523 1.174 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2CCc2ccccc2)CC1 558933506 GMBDDZKTIVYFBU-UHFFFAOYSA-N 408.550 1.898 30 10 HDEE COCc1nc([C@H]2COCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)no1 561250632 XAWZNTPWOIBPCF-RHSMWYFYSA-N 415.425 1.653 30 10 HDEE COC(=O)[C@H](O)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 564024241 PPGKQYNIJFYOTR-QGZVFWFLSA-N 417.853 2.175 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 582194272 ZOZBYAIEYTUHIS-OAHLLOKOSA-N 404.492 1.924 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)c([N+](=O)[O-])c1 585227261 WFALEKGIPWMNLG-UHFFFAOYSA-N 423.433 1.536 30 10 HDEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 603444556 HATQGULNKNWERF-SWLSCSKDSA-N 415.391 1.785 30 10 HDEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670201122 JDVWCGJNBLXMHK-YLJYHZDGSA-N 409.538 1.905 30 10 HDEE COc1cc(S(=O)(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)sn1 717672725 PJUIVACYTGEWDV-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 726179111 ITZRSOHXRPFWRA-UHFFFAOYSA-N 417.494 1.622 30 10 HDEE CCc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCOC)cc1 730138479 MCINEQZYGVNQIR-KRWDZBQOSA-N 406.552 1.895 30 10 HDEE CN1CCN([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2cccs2)CC1 732699901 DLQCMITUNVLFTH-ZWKOTPCHSA-N 402.568 1.418 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC[C@H]2CCCO2)c1 732706956 SFZKNWRHORAZSB-ZWKOTPCHSA-N 412.490 1.690 30 10 HDEE C=C(COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OCC 734023318 RUQKGNCWGVXTTI-GJZGRUSLSA-N 411.476 1.761 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 748415687 ICLDLDFFPRXTKN-DLBZAZTESA-N 420.487 1.218 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 755131615 IQRJNVWLRRDILX-YLJYHZDGSA-N 406.889 1.118 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2ccsc2)C1 758710593 MNDWLNCFRIIAEV-OAHLLOKOSA-N 405.501 1.777 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760406587 RMOPHHPKGAGPMG-MRXNPFEDSA-N 406.508 1.756 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@@H](C)C1 760750660 SSQOIJJFYIFHCN-DLFJBECYSA-N 421.523 1.584 30 10 HDEE Cn1cc(-n2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2=O)cn1 761163802 OHEGJWUIUITCOI-UHFFFAOYSA-N 403.464 1.105 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772908568 FXNWWHIBPXZODX-UHFFFAOYSA-N 420.494 1.059 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2noc(-c3cccc(F)c3)n2)cc1 773208339 IPJHOUOLXSBKAW-UHFFFAOYSA-N 414.418 1.717 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)cn1 782730157 ZPOCHQAIAQVAPH-UHFFFAOYSA-N 421.388 1.479 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)cn1 783955762 QXAWSELQLIWOBX-UHFFFAOYSA-N 419.495 1.389 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)cc2C)n1 788695718 ZTKLYVIHTNEMRQ-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc(-c3ccc(OC)cc3)n[nH]2)n1 789039913 ZNKJXGYHACTUFS-UHFFFAOYSA-N 423.477 1.668 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n(C)c(S)nc3c2)n1 790103967 DTWRGFSXLXHDLL-UHFFFAOYSA-N 411.487 1.341 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(OC(F)F)c1 791317890 MVCUQTGKLIOZID-UHFFFAOYSA-N 410.402 1.428 30 10 HDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ncccc3-n3cccn3)no2)cc1 796096588 KVMLCHPKBAZUMO-UHFFFAOYSA-N 406.427 1.896 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 803850945 WOXSSVNQLHGEQN-LBPRGKRZSA-N 402.432 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)CC1 804761179 XXTJCRQLVSVWMF-RBUKOAKNSA-N 414.506 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCO3)n2Cc2ccccc2)CC1 812050270 VKSYGXGBHLVCEP-LJQANCHMSA-N 409.490 1.380 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccc(F)cc1 813067919 GFKUJQPDMJEYMU-GOSISDBHSA-N 419.478 1.612 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NCc1cccc(C(=O)OC)c1C#N 864033538 WBKQXPBRHQWVKJ-UHFFFAOYSA-N 411.414 1.868 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cnn(-c4ccccc4)n3)CC2)cc1 917063936 WXQADNRZMZVJOU-UHFFFAOYSA-N 408.487 1.645 30 10 HDEE CN(CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 921027811 HRGJORWQLFSZDS-UHFFFAOYSA-N 406.552 1.886 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)o1 1132583533 OTIXLKDSBORHHT-OAQYLSRUSA-N 411.414 1.088 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)NCCNc3ccc(C#N)cn3)CC2=O)cc1 1136174365 LRDVJWMVYJYLHR-MRXNPFEDSA-N 406.446 1.493 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCCN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1136309983 QBTDZWFFBFSBNW-UHFFFAOYSA-N 411.459 1.067 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)C2CCOCC2)c1 1137017046 SOTNXGJLCCAORY-UHFFFAOYSA-N 407.488 1.668 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O)c1cc[nH]n1 1139617290 NTLLBUJGRLOBLU-USXIJHARSA-N 406.483 1.626 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 1144392906 QTDYSXPRIXIQAM-SFHVURJKSA-N 412.490 1.540 30 10 HDEE C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1144428990 IZTDETYXDLAWGC-YJRDXKDFSA-N 418.494 1.688 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 1147283448 KBQNPAZINKONJP-HNNXBMFYSA-N 404.308 1.970 30 10 HDEE COc1ccc(Cl)cc1C[C@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1147517435 CWVPTDSNQIBCPU-CYBMUJFWSA-N 416.865 1.964 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2C(=O)CCCC2=O)C1 1147558847 FAPWBOXEZGYKET-UHFFFAOYSA-N 419.279 1.412 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 1152974912 XRQXVOQDRZASJU-UHFFFAOYSA-N 414.531 1.248 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1153263087 ZPSUGUYHNBMCBK-ZDUSSCGKSA-N 416.952 1.931 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1171532864 KZRFNSZUOGNASW-FXAWDEMLSA-N 405.520 1.520 30 10 HDEE CC(C)(C)NC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1176344083 ADBIEEBOCAQDNU-DLBZAZTESA-N 417.579 1.836 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCOCC1 1178168527 CALRTSQVJALLRW-SFHVURJKSA-N 410.474 1.225 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757157 KWFJFXXTFLGFBV-MDOVXXIYSA-N 423.535 1.563 30 10 HDEE COc1ccc(-c2cnc(CCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)o2)cc1 1180990490 TUSXPBZDBSGNSF-UHFFFAOYSA-N 421.413 1.500 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190985585 AHWIASQAGDGDCC-OLZOCXBDSA-N 401.872 1.470 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)cc1 1192941193 JCXGMZKTDAXXHH-IBGZPJMESA-N 405.497 1.834 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)C(=O)OC 1193582002 SEAXDMAZKKZRNO-AWEZNQCLSA-N 422.500 1.764 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1270654851 CEGLLPRVSHBWLT-PBHICJAKSA-N 415.533 1.216 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286303806 KFTJZKGFSGUFTG-IEBWSBKVSA-N 415.563 1.803 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1286361479 PPJBYIZTINECAR-LLVKDONJSA-N 415.441 1.618 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1286411422 SXSUNYQFGJZXBQ-UHFFFAOYSA-N 417.473 1.103 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1286422388 LWDQKWMGBPMRFL-VGOFRKELSA-N 413.522 1.308 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)OCCO2 1286459808 ULLGQQYQPRDTPQ-UHFFFAOYSA-N 408.462 1.584 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1286716965 PCBRUWLZFYHUOI-DENIHFKCSA-N 420.602 1.967 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1(=O)=O 1286768008 NIPROVWIMOXEOX-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(C)C)C1 1286778674 CTKQIODWPUHUMH-CABCVRRESA-N 412.560 1.063 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1289420965 UYFFTOGKZKOQCG-LJQANCHMSA-N 423.521 1.666 30 10 HDEE CC(=O)Nc1cccc(OCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1293082670 QRVVQAZCDVPJQK-UHFFFAOYSA-N 419.434 1.890 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299250482 HZXIZLRLODMYND-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1300271168 HFBHMJUMOMONPP-GJZGRUSLSA-N 421.523 1.434 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)NCC#C)CC1 1300381527 SZCXKJFBJSOHQV-UHFFFAOYSA-N 419.489 1.305 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1300381881 WSPPXBRFEPKKRC-UHFFFAOYSA-N 417.477 1.455 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCNC(=O)c1ccco1 1300587508 VQOLJSZAXFGGCQ-UHFFFAOYSA-N 402.458 1.750 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1300590473 CHHGSJXVUAIRCO-OAHLLOKOSA-N 410.503 1.011 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NCC)CC1 1300895734 BCMNVYHNWZATTN-YLJYHZDGSA-N 420.558 1.054 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300989456 ONNFJXDHCPXPDH-OALUTQOASA-N 405.543 1.676 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1301372367 KZNLXWSLKQKFQF-NHCUHLMSSA-N 403.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301503336 ZDPHBHIZNSMUEJ-MRXNPFEDSA-N 404.559 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]2CCC[C@@H]21 1301585037 GXZBIWFRRILBPR-PMPSAXMXSA-N 407.540 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301588393 YPDYOHAUWIDXNH-QAPCUYQASA-N 422.526 1.816 30 10 HDEE CN(C)CC#CCNC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1302295223 JNADWFAYKWQHCC-UHFFFAOYSA-N 417.556 1.790 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1303323807 CFGLOVYRFDJDFH-HZPDHXFCSA-N 413.530 1.557 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1305720629 GBEGQBUKSLOVMO-GOEBONIOSA-N 424.571 1.902 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 1308033061 JSLALBXDYYORJM-UHFFFAOYSA-N 401.532 1.664 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCSC[C@H]3C(F)(F)F)CC2)o1 1308147782 BJKVMQYPFUYKJQ-AWEZNQCLSA-N 417.457 1.873 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@H](F)C(N)=O)CC2)cc1 1310131915 VRQUABJXNBAPBR-INIZCTEOSA-N 412.487 1.560 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C(C)C 1311388754 QZMGZIGBILJOSG-QGZVFWFLSA-N 424.571 1.124 30 10 HDEE COc1ccc(CCc2nnc(N(C)[C@H](C)CC#N)n2CCS(C)(=O)=O)cc1 1315444349 DUPPKKFCWLXWIM-OAHLLOKOSA-N 405.524 1.855 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@@H]2CCOC2)CCO1 1316540431 VNYLJYBNMHXOCT-OKZBNKHCSA-N 405.499 1.344 30 10 HDEE Cc1ccc(O)c[n+]1/C(C(=S)N=C1C=CC(=C(N)O)C=C1)=C(/O)c1cnn(C)n1 1327629473 XHWQGVMVNAAWAF-UHFFFAOYSA-O 411.467 1.623 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1348742349 PHRGNUMLJDRFNU-HIFRSBDPSA-N 400.884 1.891 30 10 HDEE COc1ccc(C(=O)NCCCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1349457219 QLLOHAFLRYVQTR-UHFFFAOYSA-N 412.450 1.275 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 1357275266 LWQYWZXNMWJGJO-SFHVURJKSA-N 406.914 1.894 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1359013650 HHWFMELSSHQVMZ-UHFFFAOYSA-N 415.457 1.730 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C)C1=O 1359065181 KCIASUWPXNIRID-HBMCJLEFSA-N 401.511 1.401 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359137572 TVMRIFVKTFQBLL-HZPDHXFCSA-N 413.544 1.240 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1359188586 QPFMZJCYCHNMDG-HOTGVXAUSA-N 423.583 1.745 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1360369348 HXKRFWQBZIUMBR-JSGCOSHPSA-N 423.922 1.989 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)C1 1360780212 FPHQBRRKCFNWSQ-HXUWFJFHSA-N 416.526 1.576 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1437873661 KAFJAFIDVQMWEM-QGZVFWFLSA-N 410.467 1.005 30 10 HDEE NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)NCC#Cc1ccccc1 1440816465 HFRJMFAXOJBCBY-OAQYLSRUSA-N 405.498 1.928 30 10 HDEE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1452691426 HZXRQOFQHMXVAE-UHFFFAOYSA-N 416.503 1.810 30 10 HDEE C#CCN(CC(=O)NN1C(=O)N[C@@](CC)(c2ccccc2)C1=O)C(=O)OC(C)(C)C 1457482650 YIMOVRREVLIILE-NRFANRHFSA-N 414.462 1.745 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 1460858153 GESJKHHFTHSSQG-KURKYZTESA-N 406.552 1.795 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)OC)C(=O)OCC 1464254184 GFTQJYIAXZJEQJ-CQSZACIVSA-N 419.883 1.763 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(OCC2CC2)c1 1464870716 OHRULVAQTVOOJE-AWEZNQCLSA-N 414.487 1.725 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1468558744 WYTUVMMUIXGREO-GDBMZVCRSA-N 416.337 1.543 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C2=O 1469871884 HOFFGTYMISLZIV-WHZNHKCRSA-N 412.490 1.797 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc2c(c1)CCCO2)c1cc[nH]n1 1470354277 TUXSYGFJANOJBN-ZDUSSCGKSA-N 400.435 1.896 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)c1 1471857204 FXRLNKPDLOPOBS-MRXNPFEDSA-N 414.487 1.296 30 10 HDEE N#Cc1ccnnc1N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1472637622 HMUGKELVYGSRIT-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]23COCCN2C(=O)OC3)cc1 1476042087 ZLGSYDZYEXTVTH-NRFANRHFSA-N 414.462 1.844 30 10 HDEE CCn1cc(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 1478943232 TZIIYFKUNZVREC-UHFFFAOYSA-N 411.445 1.509 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1502965060 SESLSRVVKOEMNB-DPSCBSAHSA-N 421.542 1.845 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCc1ccco1 1505058360 XFTRYGZEIMWXHV-MPGHIAIKSA-N 416.482 1.650 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1507523799 PSEXTYOFWSHTCO-AWEZNQCLSA-N 423.477 1.631 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)N1CCOCC1 1507621246 RJRNGNIGHXWDNV-FQEVSTJZSA-N 422.533 1.543 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CC(OCC)C1 1507660868 FTUGQPLWVPGZFI-UDJZJCJKSA-N 416.522 1.323 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSCC)CC1 1507737575 CCJYEEPZYOMFBE-MRXNPFEDSA-N 418.567 1.338 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(OC)CCOC2)CC1 1507742983 UQIJAVAAMHTKEX-NRFANRHFSA-N 403.527 1.248 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1507888588 OGCVEQPFRMAAMC-JOCHJYFZSA-N 408.506 1.952 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1507962218 NZHUKEMKPZMMSB-KRWDZBQOSA-N 413.526 1.939 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2CCN2CCN(C(C)=O)CC2)C1 1508109976 QCVYOKGPSAIDPQ-MJGOQNOKSA-N 404.559 1.737 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CCO1 1521129184 ITJAUGCHEGRFSJ-LSDHHAIUSA-N 420.420 1.946 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1539072913 YUDOHDAIZMXAIN-MRXNPFEDSA-N 423.539 1.262 30 10 HDEE CC1(C)OC[C@@H]2C[C@@]21NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1539152144 SRATVRBRHDEIJK-OXJNMPFZSA-N 403.504 1.643 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539220023 GVKFFFVHMOTWIB-OXFYSEKESA-N 406.552 1.723 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCC[C@@H]1NC(=O)NC1=O 1539245646 JCTQFJKKDKTCNN-INIZCTEOSA-N 416.441 1.752 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(OCC)c2)CC1 1539446070 PKHAZRQPMVQYTB-HXUWFJFHSA-N 422.533 1.626 30 10 HDEE C=CC[S@](=O)(=NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)c1ccccc1 1539645332 HSNSKSUWBRKDLQ-MUUNZHRXSA-N 400.460 1.429 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1540885212 DLWCRTJSUSFQAV-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCSC1 1548138563 UQUYRMCJWZKORU-IBGZPJMESA-N 416.507 1.218 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1554947159 FAJCHYKTASGRRG-NRFANRHFSA-N 409.494 1.982 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCn2ccnc2C1 1555556577 DONAZVNOOJCKLM-HOTGVXAUSA-N 412.498 1.055 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CC2)CCO1 1555993398 NVJHTFSMMDYZAH-GFCCVEGCSA-N 404.268 1.961 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)N[C@H]1CCCN(O)C1=O 1556782742 RKDQPFQUELMEQF-KRWDZBQOSA-N 409.508 1.120 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1557091549 PJGKGKCARBQKKX-XOKHGSTOSA-N 407.492 1.500 30 10 HDEE C[C@@H]1CN(Cc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)C[C@@H](C)O1 1558805904 YCNNKUUUMWQSFD-HUUCEWRRSA-N 423.473 1.127 30 10 HDEE CCOC(=O)c1cc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 1559640625 ZVHBTGZCHGSFCR-UHFFFAOYSA-N 404.448 1.229 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)OC2CCCC2)c(=O)nc1O 1566355542 AWCMLECHTLZFED-SFHVURJKSA-N 424.457 1.424 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1cc(F)cc(F)c1)c1cc[nH]n1 1584634090 UISALCTYTNCPML-INIZCTEOSA-N 422.388 1.572 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1585393992 QEQHBXSIGMFLEK-UHFFFAOYSA-N 411.530 1.974 30 10 HDEE C#CCN(C(=O)CC[C@@H]1CCOC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585658507 QCEYXSLRWNFEBC-UCTAPSKPSA-N 400.519 1.679 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(C)c(Br)cc2CC)C1=O 1586113450 QQWDFCAROZQXBJ-UHFFFAOYSA-N 409.240 1.630 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NCCNC(=O)c2ccc(Br)cn2)c1 1587205871 IPOCUEJLRLWYDK-UHFFFAOYSA-N 416.279 1.942 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587999221 SPRSSMMVYFXLQM-SFHVURJKSA-N 417.521 1.834 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1588167411 VZHIWAQWBPAKBI-HOCLYGCPSA-N 402.472 1.496 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1589077919 DYHMURJRIFUYMU-UHFFFAOYSA-N 408.524 1.609 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1589216533 QTHRKIDTHOJIFC-MGPUTAFESA-N 419.551 1.231 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1594760722 NUYPPCWXUSSRPC-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1594963899 ZJHUVEKLWXCCEJ-ULQDDVLXSA-N 403.506 1.750 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnn(C)n1 1595127265 KYJNLIQNWKDULO-OAHLLOKOSA-N 411.445 1.133 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1595602609 OMSZSBUNPUHBEB-LAUBAEHRSA-N 421.542 1.485 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2CCCO)C1 1595753810 IORVUIDQCVHVJM-IPMKNSEASA-N 405.543 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595758583 ATJCLMMPBYFTPW-GJYPPUQNSA-N 412.556 1.777 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CCO1 1596632591 CXQNUBKGDORPDV-LJQANCHMSA-N 406.446 1.799 30 10 HDEE CS(C)(=O)=NCC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1596929690 BXPAWZNSVYQCRC-QGZVFWFLSA-N 402.520 1.877 30 10 HDEE C=CCn1cc2ccc(NC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)cc2n1 1597381292 QUBYASGXGDEFSN-UHFFFAOYSA-N 402.480 1.571 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CC=CCC1 1613558515 DRHHFQKMTYEZQE-HXUWFJFHSA-N 403.506 1.900 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1615093226 CYYQBHYOBUKMIH-AOMKIAJQSA-N 424.505 1.679 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1618181191 PEQPKZZKJCKPAS-UHFFFAOYSA-N 413.522 1.012 30 10 HDEE COC[C@@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1619614074 ZFJKKAQIMYOXRF-YOEHRIQHSA-N 405.430 1.676 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C3CCOCC3)CC2)CC1 1621331947 AEBZZDDPVGHPLR-UHFFFAOYSA-N 405.539 1.960 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccnc(-c3ccccc3)c2[N+](=O)[O-])CC1 1623498917 JGCYPJZLOPROPB-UHFFFAOYSA-N 407.430 1.164 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C(C)C)N2CCOCC2)s1 1623745503 GFYROHGRBKEQPI-MRXNPFEDSA-N 415.581 1.228 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C(=O)OC 1624256746 NFGKDGWFKBZDLB-OAHLLOKOSA-N 412.508 1.963 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 1624697315 LKCBTMTWSUPDNK-GOSISDBHSA-N 415.538 1.756 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)oc(=O)n3C)s1 1632283027 MQKHHHCZAOLWHX-UHFFFAOYSA-N 407.473 1.839 30 10 HDEE C=C(CCN(C)C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1634269888 SIUHIUGTGPGDMB-OAHLLOKOSA-N 403.545 1.035 30 10 HDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)[C@@H]1CCCO1 1634531469 UXCGQXLCWIMXFL-CABCVRRESA-N 412.533 1.052 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634589253 XLFOGOLNWHTOJW-GOSISDBHSA-N 400.442 1.885 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)C1=O 1635209839 PBWGLCBCZNZYMM-XOBRGWDASA-N 411.474 1.207 30 10 HDEE C=CC1(CC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1636299766 PLWXKCMSUQMIER-CQSZACIVSA-N 402.513 1.072 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CO)Cc1ccc(C)c(C)c1)c1cc[nH]n1 1637352843 SCPUXGVRLAWDGM-INIZCTEOSA-N 402.451 1.030 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC)C(=O)OC 1637696852 JWRCHOFTCSJVLR-KRWDZBQOSA-N 422.503 1.555 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)C(=O)OC 1637697498 UUEZBWJGKJDCQY-HUUCEWRRSA-N 407.264 1.621 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)cc1 1640097649 WBFMDWAQQDQXJA-SFHVURJKSA-N 406.504 1.256 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1641263195 JUSOYVAVWJXOBL-SFHVURJKSA-N 402.495 1.624 30 10 HDEE C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@H](C)CN1CCO 1643089937 MPHPWHAFWHRXKL-FMKPAKJESA-N 404.898 1.478 30 10 HDEE CCN(C(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O)c1cccc2ccccc12 1644184091 SYVRKNYLZBVGEQ-UHFFFAOYSA-N 406.442 1.389 30 10 HDEE C=CC[C@]1(C(=O)N2CCN3CCOC[C@]3(CO)C2)CCCN1C(=O)OC(C)(C)C 1645355381 OMTGJONCIWZTHG-NHCUHLMSSA-N 409.527 1.238 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)c1 1646419536 FQZAFZOEUKJGLE-IBGZPJMESA-N 404.492 1.320 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(N2CCCOC2=O)CC1 1647999053 XWVMVPIZSRPOIX-CQSZACIVSA-N 420.491 1.058 30 10 HDEE COC(=O)c1c(C)cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1C 1653533340 UIOBYQDCFDBPTG-UHFFFAOYSA-N 416.459 1.552 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccccc3CC#N)cc2)CC1 1654960406 KZLSUBPORAEEQV-UHFFFAOYSA-N 412.515 1.900 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 1655802627 QXOUMSPWJQZXOE-IBGZPJMESA-N 423.469 1.961 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 1660994021 DYBRIHIMIRTFSI-UHFFFAOYSA-N 419.528 1.838 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(C)=O 1662964952 LLKSQYRJXHBABE-AWEZNQCLSA-N 406.504 1.950 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)[C@H](C)C2)cc1 1667955980 HDSBPDUDKUBIEW-HIFRSBDPSA-N 415.537 1.580 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 1673203668 XXQGYHSMNWVNLZ-UHFFFAOYSA-N 408.543 1.753 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1C#N 1674772781 HFIGDHJMGSNKHM-NVXWUHKLSA-N 414.510 1.806 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1675861884 FGVPGTJLZRHMPJ-LJQANCHMSA-N 403.502 1.886 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 1676031135 SRZQCPCMWKQURX-UXHICEINSA-N 404.942 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1689853824 ZCNMIJPAAXHDFI-GJZGRUSLSA-N 420.514 1.133 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC[C@H]1COCCO1 1690028237 ORLODSHCTCXFLK-SFHVURJKSA-N 410.474 1.744 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)CC1 1690111464 CCGIVQIUENMVMI-IAGOWNOFSA-N 422.599 1.470 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690311100 CQYVISMAGNXQNW-ARFHVFGLSA-N 400.545 1.633 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690461374 YWYDCNJTQJZIEC-CQSZACIVSA-N 421.523 1.985 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CCOC)C1 1690674927 KUCMIZVBCBCSJM-QGZVFWFLSA-N 401.515 1.305 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(C#N)CC1 1690722700 SEWCDONLYSYALW-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE CCc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1694725832 IMLZJRBXVPSJKF-JVNIUBFMSA-N 400.483 1.372 30 10 HDEE COCCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1697989964 JGRIOYCEXOFEON-NRFANRHFSA-N 417.558 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1705491074 XNTGAJFVQJUQST-AWEZNQCLSA-N 407.478 1.221 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705533950 VEOUFFHULYDMDT-MJGOQNOKSA-N 414.554 1.722 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705567317 WKRHEKFJBMDCDE-JFIYKMOQSA-N 416.551 1.742 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1705592440 XDDIGCBRCVMFAK-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(C(C)(C)C)no1 1705630559 XQNRJNHKJSPROK-UHFFFAOYSA-N 414.510 1.820 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1705715381 CQXKIICGQSWDGD-MRXNPFEDSA-N 401.515 1.984 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(OC)c(C)cc2C1 1705901052 YVAIIDNOQNBRTG-UHFFFAOYSA-N 421.505 1.861 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cc[nH]n2)C1 1705918418 JDAUCZNUBWYQTH-MRXNPFEDSA-N 408.466 1.275 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705948940 JHSGBUZFIBBAMT-QGZVFWFLSA-N 422.599 1.477 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1706131112 HPBSHVNOXRBTHW-QGZVFWFLSA-N 401.508 1.370 30 10 HDEE CCc1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709126607 BUPNYKBWIFHICD-VHEBQXMUSA-N 401.515 1.287 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1709830647 UUMYHOYCOHYTLW-QZTJIDSGSA-N 421.505 1.448 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1710905281 DVVYOSKEBVTWRJ-AFJIDDCJSA-N 415.519 1.581 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCSCCCO)CCN1C1CC1 1712884352 KKJMGTKRBDIFEG-ZWKOTPCHSA-N 420.583 1.812 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CCO1 1712884499 MYMRLGMXCHSIQU-CABCVRRESA-N 402.405 1.944 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722277424 NITSHNZHICRQEK-KGLIPLIRSA-N 422.530 1.600 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H](N1CCOCC1)C(F)(F)F 1722378213 RHZOLUDQEKKUEG-KRWDZBQOSA-N 420.439 1.620 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cn2ccsc2n1 1722400994 HWSHDFBTPANYGM-UHFFFAOYSA-N 407.503 1.621 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1722411107 YFKMKENMABXSAE-INIZCTEOSA-N 401.492 1.163 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=C)Cl)CC1 1722434317 PDZCCNNKUYNUDO-UHFFFAOYSA-N 419.938 1.856 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722435431 IFITTZCQQNHTSV-UHFFFAOYSA-N 422.577 1.936 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1722476237 ZFLDUZSEYWCTFQ-CKEIUWERSA-N 414.478 1.597 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@H]1CCCO1 1722695033 PYABIDXYBTYSKW-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(CC2CC2)CC1 1722697293 ZIPNIKLHKDHSSM-UHFFFAOYSA-N 410.522 1.788 30 10 HDEE CC(C)(O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1723039383 LHJUUJVOHXVFPV-QGZVFWFLSA-N 411.510 1.536 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1730705095 KZBURWCODUJGOP-UHFFFAOYSA-N 408.466 1.685 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1O 1731136928 YEAQUXPNGKSNRM-FHLIZLRMSA-N 408.506 1.939 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1740608624 CCVWNYOSLXIFLC-IRXDYDNUSA-N 407.584 1.760 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740719962 NRBOLTIVUARVSX-DLBZAZTESA-N 419.551 1.151 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)CC1 1740759652 DMTUHTQCDICWTM-QYZOEREBSA-N 405.543 1.532 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)CC)CC1 1740839590 LPVQUBPADBGVCU-HNNXBMFYSA-N 416.569 1.017 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1740901093 HIVVYVMSCAAXAL-GOSISDBHSA-N 412.462 1.319 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748819425 OMCBIKMXIMRBTG-QZTJIDSGSA-N 413.547 1.937 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1748928964 CCMVDKYOWYANRG-OAHLLOKOSA-N 415.585 1.214 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1748930257 DPTQOFYWZSBXGC-UHFFFAOYSA-N 416.547 1.577 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1748984051 KBNPXWMEYIRIFJ-IBGZPJMESA-N 405.506 1.991 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(N)=O)CC1 1749133683 OYROMPGPFZKVST-QUCCMNQESA-N 410.522 1.947 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1749324104 PQHYEEOMZSLZSO-MRXNPFEDSA-N 424.571 1.100 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CSCCS1 1749601023 UYUWHESJGVSZJO-HNNXBMFYSA-N 411.597 1.888 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749676056 CELPXXXXMOPSBO-GOSISDBHSA-N 423.521 1.157 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C)(COC)CC1 1749740702 HXUYRUNSXOZZMZ-MRXNPFEDSA-N 412.556 1.983 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1749831114 WEQYDPULDHYFGO-DLBZAZTESA-N 405.499 1.692 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@@H]2CCOC2)CCO1 1750385891 CQZYVQFYAPPIOC-HZPDHXFCSA-N 418.885 1.918 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cs1 1751775816 GEKPBMKLEYNFOS-WOJBJXKFSA-N 415.567 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760117604 RAVOHQSCGZMZPW-NVXWUHKLSA-N 417.535 1.539 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1760118200 ZPKUVGBCQOBEAB-JKSUJKDBSA-N 402.524 1.535 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)Nc1ccc(F)cc1 1760170524 GIEKDDNSUFKVJV-UHFFFAOYSA-N 410.409 1.853 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760171706 HBLGGJKMEJQNNU-OKZBNKHCSA-N 415.517 1.935 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760187760 FYLXQOCHIXNPKK-CVEARBPZSA-N 403.508 1.327 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1760210844 XTOPCIXWVVUHBN-OXQOHEQNSA-N 421.567 1.292 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760519485 GBYXWXWGTPKONM-SFHVURJKSA-N 410.522 1.406 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CCC)C1 1760530459 PVVQDFRJAOAZMT-BQFCYCMXSA-N 407.515 1.310 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760540920 RDANVZAYGWILPE-YLJYHZDGSA-N 418.519 1.276 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(OC)C1 1760552288 JKEYMISPEMFGRC-LJQANCHMSA-N 405.524 1.946 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1760574292 HKACMGAFHRARER-UHFFFAOYSA-N 409.494 1.352 30 10 HDEE Cc1cnn(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1762194740 MQXQDTAYNVZNQQ-UXHICEINSA-N 417.489 1.966 30 10 HDEE CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1765376806 HLJITSFUGWIOKD-GOSISDBHSA-N 423.521 1.790 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 1767341307 DRBKTUBQOTVHSW-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE CNC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1767787408 AMSAIWAWFRQXDQ-AWEZNQCLSA-N 419.283 1.572 30 10 HDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770790311 UCAGPRPCENWFRY-MRXNPFEDSA-N 409.425 1.860 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1771537837 WGAHVFFPNFPODS-OALUTQOASA-N 424.505 1.260 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1772564699 WSPOVOVAEYBSLH-QGZVFWFLSA-N 417.535 1.600 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC=C)Cc1cccc(C#N)c1 1772566404 VOFJTXREEWEQOQ-SFHVURJKSA-N 419.489 1.596 30 10 HDEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)c1 1772790012 IMTONAFGCARZIF-MRXNPFEDSA-N 407.382 1.954 30 10 HDEE CN(C(=O)c1cccc(I)c1)C1CN(c2nccnc2C#N)C1 1849628984 ASUADIKJMYZIQQ-UHFFFAOYSA-N 419.226 1.914 30 10 HDEE N#Cc1cccc(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)c1F 1851316689 BRLLZKGAFOMUKG-UHFFFAOYSA-N 408.377 1.242 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cncc(Cl)c2)C1=O 1854224925 PTARCDUHIGPWQU-IAGOWNOFSA-N 404.898 1.975 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(OCC)nn2)C1=O 1854303316 XCGZXRLYMHHWDT-SJORKVTESA-N 415.494 1.115 30 10 HDEE Cc1ocnc1C(=O)N1CCCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854743390 KBTTUKSWRSBEST-QGZVFWFLSA-N 408.462 1.593 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)[C@@H]1C 1854751450 LOULYLFIOCGUCP-KRWDZBQOSA-N 419.547 1.723 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)[C@@H]3CCCCO3)C2=O)CC1 1854864554 XATRNWKYRUJYRN-OALUTQOASA-N 412.490 1.741 30 10 HDEE COc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1C 1855016785 GPOBJPUEEGXSOE-KRWDZBQOSA-N 416.455 1.966 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O)n1cncn1 1855747631 VJAGMYFDHKOBHX-JXFKEZNVSA-N 406.490 1.998 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](C2CCN(CCC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1856150220 JAZFMKWNLFVGKZ-YJBOKZPZSA-N 411.506 1.682 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CCCC[C@H](N(C)CCC#N)C3=O)CC2=O)c1 1856452049 PEWJIEQOKPVPDG-APWZRJJASA-N 412.490 1.801 30 10 HDEE COc1cccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1856899511 PQSFZRBHCGAGND-QGZVFWFLSA-N 402.428 1.657 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1C 1857120366 TUUIXPRKSKBADG-GOSISDBHSA-N 406.442 1.775 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CC(c4nnc5ccccn45)C3)C2=O)cc1 1857145831 GZUSFGLSJGTCOX-SFHVURJKSA-N 400.442 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857357242 XTCCAVXBFPGCAU-IAGOWNOFSA-N 404.511 1.997 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccon3)C2)C1 1857461840 AISPOZAUXCKXQJ-HNNXBMFYSA-N 409.446 1.402 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1857483629 VDIQVGQGNACUPA-CZUORRHYSA-N 402.520 1.404 30 10 HDEE CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1857496222 XBNLEDUJXGGBPS-IBGZPJMESA-N 417.531 1.928 30 10 HDEE CN1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1 1859116860 GCUJYJCAJACAIT-LJQANCHMSA-N 405.458 1.959 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O 1870103078 AAFRNDPEFKTADQ-UHFFFAOYSA-N 413.441 1.567 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCOCCO 1870518321 QUUOWIPPISUMDW-UHFFFAOYSA-N 421.538 1.326 30 10 HDEE C=CC1(N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1884980329 VJAYUOIZOXVQLU-LLVKDONJSA-N 401.451 1.574 30 10 HDEE CN([C@H](CC#N)C(F)(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2000606750 AWGYCYQRFMKJHD-CYBMUJFWSA-N 403.382 1.779 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1ncc(Br)n1 2010351572 NTGHYOPEAJPPNI-NSHDSACASA-N 400.277 1.464 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(O)nc(O)c1Br 2011206018 KGTKAJBKHUHFIL-ZETCQYMHSA-N 401.217 1.505 30 10 HDEE CC1(C)OB(CNC(=O)c2nc(S(C)(=O)=O)ncc2Br)OC1(C)C 2029359944 KMZASYNZKZZNHJ-UHFFFAOYSA-N 420.094 1.004 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C[C@@H]3CC[C@H](F)C3)s2)OC1(C)C 2150388940 JBCFAFVJGJCOFI-NEPJUHHUSA-N 404.338 2.000 30 10 HDEE CN(C)[S@](=O)(=NCC1(O)CC(C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2165187246 CXMQJOZMVZWPRN-KFMDJXLUSA-N 401.533 1.063 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784062 JWWRCOQTFJNTFY-BZUAXINKSA-N 400.545 1.949 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1S(=O)(=O)CC1(C#N)CCOCC1 2174790204 ZXCRGZADKPUERQ-GASCZTMLSA-N 401.529 1.966 30 10 HDEE CN(C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)[C@H](CC(=O)O)C(F)(F)F 2180575701 VRZHIWPIUSMZMN-SPGJFGJESA-N 406.201 1.850 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)NCC(F)(F)F)ccc2Cl)OC1(C)C 2241209322 URPVEHNGWTXMOW-UHFFFAOYSA-N 415.630 1.843 30 10 HDEE C=C(CS(=O)(=O)NC1CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2241482611 IQJJHHVDTQSUGQ-UHFFFAOYSA-N 402.322 1.713 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247779587 WMTCNDKLYKYNCE-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247944069 LFPIMZXBAUAHQE-CQSZACIVSA-N 420.315 1.601 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371089 VJWGUUHDMFVNKB-RYUDHWBXSA-N 405.372 1.456 30 10 HDEE CSC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269037474 JKEODKREEJWTTL-JTQLQIEISA-N 407.344 1.142 30 10 HDEE N#Cc1cccc(Br)c1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2269701547 LPNYBFLJOHOZIF-NXEZZACHSA-N 419.201 1.679 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCNC[C@H]3CO)c2Cl)OC1(C)C 2281936766 QYJTVGFARDYMMO-CMPLNLGQSA-N 400.737 1.401 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)sc2Cl)OC1(C)C 2281975440 MXAKQPCCHCKKAR-NQBHXWOUSA-N 401.721 1.705 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@](C)(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322325 KCDCJIODTFUKEG-SJCJKPOMSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]34COC[C@H]3C4(F)F)s2)OC1(C)C 2282332732 FZSGLFIJSFGLHP-YMTOWFKASA-N 407.269 1.360 30 10 HDEE C[C@H](CO)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282493168 SBQCEPVGXGQGLJ-LBPRGKRZSA-N 403.737 1.888 30 10 HDEE CC(C)[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2282501679 ADMSHINHDMAWSC-LBPRGKRZSA-N 403.331 1.576 30 10 HDEE CCC1(N)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282506926 ZLKZBHKWUAKSRL-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282633593 ALQGEVSMRVDULA-RYUDHWBXSA-N 401.359 1.941 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2(CCCO)CC2)OC1(C)C 2282833553 INHPTRLJVRJCNF-UHFFFAOYSA-N 402.347 1.167 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282867667 BWBGNMSZRBCBFM-NSHDSACASA-N 423.387 1.149 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1OC 2282869905 JXBYVGJDNKEIFO-STQMWFEESA-N 403.331 1.082 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](O)C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282870013 LIANFTUBSXXRSX-SNVBAGLBSA-N 411.301 1.568 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284396594 DMOKHTXUWYJYCR-LLVKDONJSA-N 403.331 1.969 30 10 HDEE C=CC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284407225 JAFDQFKAMAUXQH-GFCCVEGCSA-N 401.315 1.496 30 10 HDEE C[C@@H](CCC(=O)O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284414468 RASHEWVIAMMSEF-NSHDSACASA-N 403.331 1.827 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1nccn1Cc1ccccc1 2315532247 SLYQSDOXFPEDNA-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NCc1c(Br)c(Br)nn1C 2316991786 YXMVNGWBZLEXGQ-LURJTMIESA-N 400.096 1.667 30 10 HDEE CC1(C)C[C@H]([C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365171670 MURTUBDRPADMHH-RBSFLKMASA-N 402.557 1.537 30 10 HDEE CC[C@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203307 IRSYEIGNNCHUTO-BEFAXECRSA-N 402.557 1.409 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365211719 OZMQUJKHPRTIOY-BZUAXINKSA-N 402.557 1.802 30 10 HDEE Cn1cc(C#C[C@@H](N)[C@@H](O)c2ncc(Br)cc2Br)cn1 2366118388 LEGQGQINKIARFY-DGCLKSJQSA-N 400.074 1.753 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2367791565 ZANTVAYSSNFZQR-CABCVRRESA-N 400.541 1.570 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796499 QCUCBMZHCBVLKX-OWCLPIDISA-N 400.541 1.699 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367802385 ALVNBJPSNGBDAR-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372918176 YWDXEYZVKXEIEU-KDOFPFPSSA-N 402.513 1.209 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C(\C)c2ccccn2)n1N 21324706 DBDDYXDNYHWTCJ-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(OC(F)F)cc2)CC1 32490038 IYKOUUNCIZOFQL-UHFFFAOYSA-N 410.465 1.166 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCC3 96348534 NIAXWXVEVYDOIS-OAHLLOKOSA-N 422.510 1.296 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3ncccc3C#N)CC2)NC(C)=O)cc1 105473699 GQNDSUXJJCINSV-HXUWFJFHSA-N 407.474 1.878 30 10 HDEE CC1=CC=C/C(=C2\C=C(C(=O)N(Cc3ccco3)[C@H]3CCS(=O)(=O)C3)NN2)C1=O 138692328 RJMNDZZUPJVLSR-HYEKCJMVSA-N 415.471 1.126 30 10 HDEE O=C(O)CN(CC(=O)O)/N=C\c1cc(Br)c(O)c(Br)c1 169880736 NGDJYBFSLBIORW-BNNQUZSASA-N 410.018 1.722 30 10 HDEE CN(CCNC(=O)NCCOc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 437776438 QPLIJXWMYZAELV-UHFFFAOYSA-N 420.466 1.696 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2OCCc3ccccc32)CC1 441295357 KFOBYKXIDPNELU-HXUWFJFHSA-N 411.483 1.705 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 441663145 CFIOOFKCQIZCNO-UHFFFAOYSA-N 424.404 1.194 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 461496378 IBPLVEVBKZITGJ-INIZCTEOSA-N 423.564 1.899 30 10 HDEE Cn1nc2c(c1CNC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCCC2 462646390 VZXONFRDJLRVOV-GOSISDBHSA-N 420.473 1.692 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 462721144 LFTIYGGPTDTJDS-LBPRGKRZSA-N 404.414 1.765 30 10 HDEE C=CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 468386287 ZOBCBWAIEZFORF-UHFFFAOYSA-N 421.563 1.999 30 10 HDEE COC(=O)[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1OC 474704952 CHOWAWGSRSDOSI-IBGZPJMESA-N 411.414 1.336 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)CC1 481107331 JUTMHYYLSLEMOZ-KRWDZBQOSA-N 419.445 1.058 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cscn2)c1=O 497557976 GQBSUSILBWIXOZ-UHFFFAOYSA-N 424.551 1.939 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 504036092 LZFGJVBFEACIQE-QGZVFWFLSA-N 423.535 1.348 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C 508427026 NBNURBUQWBKNDG-UHFFFAOYSA-N 411.491 1.203 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)CC2)c(F)c1 509564746 PQTFFKBBTRRELM-UHFFFAOYSA-N 423.448 1.768 30 10 HDEE N#C[C@@H]1COCCN1C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 514894560 KDNNWELLVJMYDW-QZBQPBHFSA-N 417.465 1.217 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 517162967 KQQKEALMRAMAHB-XIRDDKMYSA-N 419.503 1.743 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 520152789 DHUFLAKFMYMIQC-LJQANCHMSA-N 401.426 1.819 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 531618512 RUDHBDBVMXZSAN-UHFFFAOYSA-N 410.474 1.966 30 10 HDEE C=CCNC(=O)CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 540757356 QCEYLTLGLMKVBE-LLVKDONJSA-N 405.808 1.934 30 10 HDEE CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 546208040 JBBLDBJPPCIJIR-LJQANCHMSA-N 405.458 1.806 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 555264871 AJOWJEUIVCFCRV-RCCFBDPRSA-N 423.583 1.303 30 10 HDEE CCN1CCC(N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)CC1 557465822 QYESYONAYBGRTL-UHFFFAOYSA-N 410.566 1.798 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C#N)C(C)C 561777596 FJPABBAUBFGZGW-KRWDZBQOSA-N 408.524 1.299 30 10 HDEE CCCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1OC 569533168 DQXLDRLYGJRZGX-UHFFFAOYSA-N 417.487 1.950 30 10 HDEE COC[C@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 575079725 LPKUTTFDMHQVSZ-UXHICEINSA-N 420.469 1.279 30 10 HDEE C[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)N1CCN(c2ccccc2)CC1 585722324 TVJADNLDDVQSMM-KRWDZBQOSA-N 423.492 1.640 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(I)cc2)cn1 585749698 ZGTDCYINQPHUIB-UHFFFAOYSA-N 406.183 1.926 30 10 HDEE COc1ccc(CC(=O)NC2(C#N)CCCC2)cc1S(=O)(=O)N1CCOCC1 604455696 UAKABSDBFNDUBV-UHFFFAOYSA-N 407.492 1.211 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 604529903 FZQBVFVIRDSZEI-NRFANRHFSA-N 417.469 1.800 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(-n3cccn3)c2)CC1 610035798 GHJOYQDGHFNHCQ-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE CCN1C(=O)[C@@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CCN2C1=O 610616044 FQJWVSJYSNSWJS-HNNXBMFYSA-N 415.519 1.795 30 10 HDEE COc1ccccc1N1CCN(c2c([N+](=O)[O-])cc(C(=O)NO)cc2[N+](=O)[O-])CC1 725341940 CKWHPFYWZNXVDW-UHFFFAOYSA-N 417.378 1.957 30 10 HDEE N#CCNC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 731245597 KZXGIQACXJDRDB-ZLIFDBKOSA-N 405.401 1.921 30 10 HDEE C[C@H](CC(=O)OCC(=O)Nc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 745494680 ALROXBKDXHSVIP-GFCCVEGCSA-N 419.434 1.825 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746195795 DREKQAGWLUIMFS-UDJKBAMHSA-N 414.487 1.752 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 756654258 JVCYFKMCMTVEHG-KBPBESRZSA-N 402.900 1.464 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(-n2ccnc2)c1 765310876 QBYMUXRCCASKBX-CQSZACIVSA-N 410.459 1.122 30 10 HDEE CCN(CC)CC#C[C@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 770807331 LWJPZJSFMCQESB-SFHVURJKSA-N 422.547 1.906 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCN1C1CC1 785993406 XDJRLNWYBZGBHM-LLVKDONJSA-N 413.222 1.865 30 10 HDEE CCN1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1=O 792255801 OLJARMTVGAERJN-HEHNFIMWSA-N 421.523 1.933 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 793197780 SGYBIOPGEXMVME-HNNXBMFYSA-N 407.467 1.357 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800781599 NIZXMIWCELTNNY-MRXNPFEDSA-N 416.489 1.555 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2C[C@@H]2CCCO2)cc1 802687854 YYTBBTHUOZZMQZ-WMZOPIPTSA-N 424.461 1.549 30 10 HDEE Cn1nccc1C1=CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 807109101 AOBZFNDCKKVTLQ-HZPDHXFCSA-N 400.483 1.978 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807248017 ICGHPGPAMSQDMB-ZDUSSCGKSA-N 419.528 1.794 30 10 HDEE COc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1Cc1cnn(C)n1 807934909 OMUVAEHMRPPMFF-MRXNPFEDSA-N 414.491 1.624 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 854500822 UWXJWTBVVOGQNJ-UONOGXRCSA-N 400.472 1.849 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 919319249 YJYPCDVCCSWKMV-ZWKOTPCHSA-N 420.487 1.186 30 10 HDEE C=CCN(C(=O)/C=C/c1cc2cnn(C(C)C)c2[nH]c1=O)[C@H]1CCS(=O)(=O)C1 919989753 SMNXWLMPZLXRPQ-JFDDCEBESA-N 404.492 1.520 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1125843050 WMEDWBXBURIIKF-IBGZPJMESA-N 422.551 1.422 30 10 HDEE Cc1cc(C#N)cc(N(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)C2CC2)n1 1130964976 LOXVNIOPYPGXEX-UHFFFAOYSA-N 413.478 1.836 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)n2)c1 1135185628 GNUGBXUQHDSGGP-UHFFFAOYSA-N 400.460 1.164 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1137714377 LFAZBQOLXOTACA-GHMZBOCLSA-N 418.338 1.893 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(S(C)(=O)=O)ncc3Cl)CC2)c1C#N 1138262317 COVCLFAHDXELGG-UHFFFAOYSA-N 422.898 1.015 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CC[C@@](O)(CC#N)C3)cnn2c1 1143189780 AUPAXJJRWHNIMT-FQEVSTJZSA-N 414.466 1.287 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](F)c2ccc(C(F)(F)F)cc2)CC1 1152967531 KLWCLYIWPZBRBV-CQSZACIVSA-N 407.389 1.328 30 10 HDEE Cn1cc(CNC(=O)c2cc(S(C)(=O)=O)ccc2N)c(-c2ccc(C#N)cc2)n1 1154063764 YTSVYNKLMCSXSL-UHFFFAOYSA-N 409.471 1.874 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1160097073 GATBWHVIAAWBKG-HKUYNNGSSA-N 408.520 1.042 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)CC1CCCCC1 1162444653 TUWGSWNRGNNNHY-MRXNPFEDSA-N 407.536 1.953 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)cc1 1164187966 SROKKYIYELTESF-UHFFFAOYSA-N 422.409 1.892 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 1194060959 ZMFQYQQYJFGFNF-UHFFFAOYSA-N 404.485 1.126 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1213278602 FNWAASCRVYSHGA-GTJPDFRWSA-N 409.327 1.779 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)on1 1227633214 VZSTUGZQJXMVRE-MRXNPFEDSA-N 411.418 1.323 30 10 HDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1255898232 NRLKMEGKBGUINA-GJZGRUSLSA-N 404.540 1.537 30 10 HDEE C[C@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)N1C(=O)NC2(CCCC2)C1=O 1277745840 JTRNRCPUTQNDBP-MRXNPFEDSA-N 423.517 1.892 30 10 HDEE C#CCCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286315558 AMSAFWBGQNIOGG-UHFFFAOYSA-N 424.505 1.577 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286321482 PQEOFHTYWPZDSE-GOSISDBHSA-N 409.494 1.366 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286382365 AHYXGGOGFCDNDQ-OAHLLOKOSA-N 406.512 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1286398247 VMDOKJSCQVFMOC-MSOLQXFVSA-N 403.552 1.679 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1286462558 MDZLSQIEQAPZLN-JOCHJYFZSA-N 424.505 1.439 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1286464669 DKOTZGWCGSPBCS-HXUWFJFHSA-N 423.517 1.940 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN(C)S(=O)(=O)CC)CC1 1286478429 FKRAPYRQECGDJT-UHFFFAOYSA-N 424.615 1.294 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCSC2(C)C)CC1 1286480237 SVFMFDGWQWBKEE-HZPDHXFCSA-N 402.568 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2C[C@H]2CF)CC1 1286495152 RTCDCKFGAJUQMO-FJIDUMEYSA-N 419.501 1.498 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286605383 MNPVPWQGZZNGKU-UHFFFAOYSA-N 420.539 1.451 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286781546 TXCQXLWRQQKKNO-MSOLQXFVSA-N 421.505 1.462 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)s2)CC1 1294723968 XWQCTQYUWYSDNK-UHFFFAOYSA-N 422.308 1.953 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 1296112678 HGQFHGGWMISOQN-WUQYLLKWSA-N 410.445 1.994 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1298544294 GRBWHCYZENVFGC-SFHVURJKSA-N 422.493 1.911 30 10 HDEE C#CC[C@@H](NC(=O)CCC(=O)c1ccc(I)cc1)C(=O)OC 1299179648 UTZIRNGPIYQOJJ-CYBMUJFWSA-N 413.211 1.935 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1299483677 GGJVMQCDYXVTTN-FZKQIMNGSA-N 415.519 1.769 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1300270099 BDGOGRSMGABZII-CABCVRRESA-N 419.551 1.622 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300422260 JBMFXQLRKSJPSK-PKOBYXMFSA-N 404.474 1.857 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1300512399 PMUFFQRSMNQDDV-HNNXBMFYSA-N 419.482 1.179 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1300700007 KMMRQAPETODMDD-FQEVSTJZSA-N 422.533 1.335 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1300755178 NKLFHWCSMVQATF-FTRWYGJKSA-N 414.535 1.874 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300918939 NDGUDCNMLWFVGB-GOSISDBHSA-N 418.567 1.948 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](F)COC 1301077799 SPWLYECPLIGVPL-MVJTYMMSSA-N 422.505 1.163 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1301496824 HTBIFKMJOZORES-CQSZACIVSA-N 409.494 1.547 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1301520814 PVRMSUBXFWQABK-UZLBHIALSA-N 407.515 1.094 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1301915975 GENDECCOYKJOMW-CQSZACIVSA-N 406.849 1.993 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCS(=O)(=O)C1 1301967213 BDTVPLSIWZGPEC-OAGGEKHMSA-N 413.544 1.565 30 10 HDEE C#CCN1CCC(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CC1 1302245063 IUUPDTKLYIPSRB-UHFFFAOYSA-N 418.335 1.965 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CC1 1302427972 NQRJEVOLGBZPRC-CQSZACIVSA-N 407.521 1.236 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CC2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1303635567 AUYCAPMYGSGFMG-CQSZACIVSA-N 402.524 1.859 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@H](CC#N)C(F)(F)F)CCCC1 1303848804 OBRDBJYHZJELPL-LLVKDONJSA-N 408.402 1.843 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1)C1CCN(C)CC1 1303995339 AWXJEPPWIBPOGM-UHFFFAOYSA-N 405.520 1.114 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CO1 1304391613 SMGUZXDDNSUHBK-CABCVRRESA-N 400.435 1.578 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1304490216 MPRWIGDNFOBTRA-ZDUSSCGKSA-N 408.480 1.543 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC#CCN1C(=O)c2ccccc2C1=O 1307584149 UIKFEUNNIDXKMN-INIZCTEOSA-N 400.442 1.158 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)CC1 1308155468 DRHKXRUBLRDUBU-CBISJHAASA-N 400.498 1.531 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCCO1 1314641553 BACYBWTUALDRAH-SFHVURJKSA-N 412.494 1.822 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1314805285 ARBDSSZLPGQPTE-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 1314960697 FDUXVHVURFOJJN-JOCHJYFZSA-N 418.505 1.869 30 10 HDEE COCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1316267821 YUDYYRUEQZTGPX-QAPCUYQASA-N 415.450 1.182 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@]2(O)CCSC2)cc1 1316529177 BNEYSSNKLPSTBP-GOSISDBHSA-N 403.533 1.253 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)C1 1320155622 AKSGSZQSMXIBDJ-ZDUSSCGKSA-N 409.508 1.808 30 10 HDEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1Cl 1353561454 LEJNCEAOXAMWSF-WBVHZDCISA-N 417.874 1.847 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1355812717 LIPUTTRUAGKIOE-KRWDZBQOSA-N 407.474 1.345 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1358881057 YGZKPQIRFAIAIS-OAHLLOKOSA-N 419.493 1.438 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1358913264 JOJZCFOAKPWANE-ZWKOTPCHSA-N 424.567 1.616 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358961427 YYBNTAXGNKCCHJ-OAHLLOKOSA-N 418.523 1.177 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cc2F)CC1 1359037938 DSTJTYSYDDAOPR-UHFFFAOYSA-N 414.460 1.482 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359123640 DNONCNLQRRRDLY-ZWKOTPCHSA-N 402.543 1.524 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCNS(=O)(=O)CC)CC1 1359179836 HYCQDIQJVCWIDV-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359218092 XGIRZQJQFZZMFN-KRWDZBQOSA-N 421.509 1.762 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@H](C)C1 1359294102 KMNCGKAJRWKJRR-CQSZACIVSA-N 400.439 1.771 30 10 HDEE Cc1nn(C)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1C#N 1437520416 DYXMENGZONOFSH-UHFFFAOYSA-N 406.468 1.244 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)NCc3nnc4n3CCNC4=O)cc2)cc1 1438914980 LFRGQLKLTNYDTJ-UHFFFAOYSA-N 402.414 1.810 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCCC=C)NC(=O)OC(C)(C)C)CC1 1443358231 NJJFFIZIWGGGSP-SFHVURJKSA-N 420.554 1.520 30 10 HDEE C[C@@H](CN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nn[nH]n1 1447358587 CFXPBEVXHIKLOC-JTQLQIEISA-N 404.272 1.532 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cc(C)cc(F)c3)c3c2CCC3)CC1 1449063181 RNNRFEPNMWDKND-UHFFFAOYSA-N 423.492 1.316 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1450343942 PKAASXNANGIDSA-MJGOQNOKSA-N 415.287 1.959 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)OC)c1 1453791355 TYBDRFAFFWPPJJ-KRWDZBQOSA-N 418.471 1.371 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)cc2)CC1 1454650077 FPSUYFMMCLNWFV-IEBWSBKVSA-N 418.519 1.304 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1nnc2n1CCN(C)C2=O 1455372199 AOJPDWJZNFZZNK-UHFFFAOYSA-N 407.434 1.044 30 10 HDEE Cc1c(S(=O)(=O)NCCC(=O)N2CCN(C)CC2)sc2ccc(C#N)cc12 1462851694 CVLLMQCCZOBWTO-UHFFFAOYSA-N 406.533 1.524 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1464019367 WLWOIWGXIDEFIY-AWEZNQCLSA-N 406.426 1.350 30 10 HDEE Cc1ccn([C@@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1464026860 FMSDOTNHDHRUJJ-INIZCTEOSA-N 401.492 1.547 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3c[nH]c4cccc(C#N)c34)CC2)CC1 1464848230 ZRJZYEMIOUGGLM-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H]2CC[C@H]1C2 1464920740 ASRUFWCLUULIQY-HZSCUPDESA-N 403.479 1.777 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c1 1466083788 YYWAFGSDKCMXKE-WIYYLYMNSA-N 417.575 1.582 30 10 HDEE CO[C@@H]1COCC[C@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1468358540 XHDQSBCOROJPGN-YVEFUNNKSA-N 408.296 1.925 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1468479987 WHPBEUZVEOVEOG-KRWDZBQOSA-N 402.495 1.786 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(C#N)c(OC)c2)CCO1 1470083931 UXXCXKRNCFKSKP-NRFANRHFSA-N 419.478 1.836 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1470213621 GXFSEVHDZVIFHI-RBUKOAKNSA-N 400.504 1.734 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(C)CCC2(CC1)OCCO2 1471498492 FYFDFNOYJKHKCP-MRXNPFEDSA-N 414.510 1.892 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccccc3C#N)CC2)CCC1 1473139928 MRBVHVKIZLWELU-IBGZPJMESA-N 420.579 1.682 30 10 HDEE C#CCN1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 1475209290 ILVFLYUGNKZIQL-UHFFFAOYSA-N 401.282 1.258 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCN2C1=O 1502213472 DWVLGDSWUQVOPZ-MRXNPFEDSA-N 423.477 1.060 30 10 HDEE CO[C@@]1(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1504057678 NDRXLNMQJBBUBN-ZWKOTPCHSA-N 406.487 1.881 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CCO1 1505322051 HQHCAHDVOQKFLQ-AWEZNQCLSA-N 409.849 1.865 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1507615670 ADZJXHHRLLNKNN-INIZCTEOSA-N 423.514 1.055 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1507626359 ACZHOEKUKFNQLF-KRWDZBQOSA-N 419.551 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1507646381 TZGLEFVIEOEJTD-UHFFFAOYSA-N 422.514 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507648244 XPUOLGUNOZPOKI-GOSISDBHSA-N 411.531 1.608 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(OC)CCOC1 1507659087 VTNKXFZVOXCZRX-OAQYLSRUSA-N 408.462 1.194 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2ccn(C)n2)CC1 1507731965 GWJDQQUXTXCUEE-UHFFFAOYSA-N 421.505 1.403 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)N[C@@H](C)CC)CC1 1507738660 ULRYISRTNDPNQN-HNNXBMFYSA-N 400.527 1.426 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507750245 NRSLNYSHFFKILI-UHFFFAOYSA-N 414.457 1.939 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507750353 RJVMMIYTTICKEM-INIZCTEOSA-N 413.507 1.919 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1507821351 ZGONPIUUQVLNPV-HUUCEWRRSA-N 401.533 1.048 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1507844987 UXVJXBCOEDYFGS-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)CC)CC1 1507888169 WUADVLGGAANMAJ-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507904028 WMUYXHQVDPVPRC-DLBZAZTESA-N 409.556 1.608 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1507941014 CLNIVMVDDMAXCM-OAHLLOKOSA-N 407.482 1.554 30 10 HDEE C=CCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507955649 NMAHVJKZGQXOOP-UHFFFAOYSA-N 400.527 1.468 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCOCC1 1507985851 PKZPZJAUZPVOML-UHFFFAOYSA-N 418.523 1.141 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1508017074 HZBGGHMCVZMHFA-OAHLLOKOSA-N 407.540 1.765 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](CNC(=O)c2ccccc2)C1 1508086644 NWXMIHXLAVYIHN-KRWDZBQOSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](COC)C1 1508088648 ZWFLAPPUQUQNCN-QGZVFWFLSA-N 415.494 1.031 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1508160499 USZZKAUFJSTKJB-LSDHHAIUSA-N 402.528 1.581 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508165121 QGUVROASMLMCQF-SFHVURJKSA-N 416.551 1.524 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515900450 DVXBOSVNOVNDPT-DYESRHJHSA-N 414.533 1.752 30 10 HDEE CCOCc1nnc(N2CCSC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1516622152 JOCWIYMSVDJKOF-WPCFGXOUSA-N 406.512 1.283 30 10 HDEE COc1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1518220887 DQHRSSVQGKUVIW-HOCLYGCPSA-N 414.441 1.348 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)C1 1521055436 DWZVWRYZKZBJOI-BDJLRTHQSA-N 422.262 1.756 30 10 HDEE COc1cc(C(=O)N2CCc3c(CC#N)cccc3C2)cc(OC)c1OCC(N)=O 1534519342 FBANCNVOFNUXKA-UHFFFAOYSA-N 409.442 1.832 30 10 HDEE CN(CC(=O)N1CCC2(CC1)CC(=O)C=CO2)C(=O)c1ccc(Br)o1 1536709633 USNUFNIXPXXZEO-UHFFFAOYSA-N 411.252 1.978 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539022190 NQIQKAMTEYMZGA-QUCCMNQESA-N 423.565 1.665 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539127327 HENWDOBLINUBFL-UHFFFAOYSA-N 406.469 1.933 30 10 HDEE C#CCSCC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1539198916 DNOGOOKMUDWLPR-CQSZACIVSA-N 414.268 1.657 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)c(F)c2)CC1 1539459532 IQZQHGZMGUFFNK-UHFFFAOYSA-N 414.460 1.482 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1540871360 KBMKTLRBDVNRBI-UHFFFAOYSA-N 406.575 1.716 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1540908215 RWBDIUAYVJJBCY-GJZGRUSLSA-N 404.540 1.148 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)Oc1ccccc1F 1541678718 HPOLOCBHPOKBLZ-GJZGRUSLSA-N 416.457 1.752 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1541703282 JKXBHWSNIYHRLB-UHFFFAOYSA-N 410.526 1.693 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1547496666 ZESCGGHRYILTIP-KRWDZBQOSA-N 403.531 1.328 30 10 HDEE COC[C@@H](Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1555252739 CDBNJEKPGDIGMG-GDBMZVCRSA-N 412.498 1.194 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)cc1 1558147281 DWLSDQQYEAJFAE-KRWDZBQOSA-N 408.520 1.857 30 10 HDEE C#CCN1CCC(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1558422752 IRSRAVFNYUKGPD-UHFFFAOYSA-N 418.291 1.649 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(C)C 1560164970 WIAHOUZTIQAXCH-CALCHBBNSA-N 407.536 1.767 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1563782152 ZBKRWSWGPNDYIR-ROUUACIJSA-N 405.520 1.841 30 10 HDEE C#C[C@@H](NC(=O)NC[C@]12COCCN1C(=O)COC2)c1ccc(Br)cc1 1565000195 UKRGUQSTLBZSDZ-CRAIPNDOSA-N 422.279 1.050 30 10 HDEE N#Cc1ccc(OCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 1565629665 FQNZFXOFKZZYBS-MSUUIHNZSA-N 419.235 1.342 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)Cc2ccc(Br)cc2)CC1 1568701196 IEPQOEIZPFMCNU-UHFFFAOYSA-N 420.351 1.911 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1584883407 VGZLHTJSFRACGK-VGOFRKELSA-N 416.497 1.256 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3cc(C#N)c[nH]3)CC2)CC1 1585029106 UYBQNDOFNDDIGO-UHFFFAOYSA-N 416.482 1.317 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1586253913 FFVJLNYQXSGOOO-IBGZPJMESA-N 400.439 1.114 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3ccc4c(c3)COB4O)c(C#N)c2N)cc1 1587342214 WXHOGXHUWCACPC-UHFFFAOYSA-N 415.262 1.215 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1587627617 VSGMQEDVSYDHRV-QFBILLFUSA-N 403.490 1.980 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(CNC(C)=O)CC1 1587804098 UWLZGONVJSRESR-UHFFFAOYSA-N 402.543 1.962 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588034189 BNIWWZQYHWIXIN-RDJZCZTQSA-N 418.519 1.689 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1588117190 BMVZKPHDFOJHHX-INIZCTEOSA-N 406.446 1.015 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588117380 FBKAJMQJSHMQDG-XUTLUUPISA-N 400.442 1.544 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1588639078 ZHMGCYZVEHEEPH-CEXWTWQISA-N 416.570 1.683 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)NCc2ccco2)CC1 1588923608 GKTWBNHNKCHKEE-UHFFFAOYSA-N 410.478 1.031 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1589060253 PLYLPLLWXWBZRI-HZPDHXFCSA-N 412.581 1.900 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1589070060 QHPPDPINSIVKQK-CVEARBPZSA-N 412.581 1.409 30 10 HDEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1593684097 SLTIVQWBAMIJBB-CMPLNLGQSA-N 401.443 1.985 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1594807594 TWZMGPCWVOXCSU-SFHVURJKSA-N 413.526 1.486 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCN(C)C1 1595205300 QVYGLOCOVGYIHU-FQEVSTJZSA-N 400.483 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC=C)C1 1595723423 WGNLTYCZSBJECY-SJORKVTESA-N 410.540 1.554 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(OCCN(C)C)c1 1598195626 BYVMIFOHBPBSLS-QGZVFWFLSA-N 404.511 1.945 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1617971609 OYFYFCALBFHFNW-CZIZESTLSA-N 424.509 1.832 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1621936215 DDDQWSQUWGVXSL-RTBURBONSA-N 406.504 1.697 30 10 HDEE C=CCN(C(=O)c1nscc1I)[C@@H]1CCS(=O)(=O)C1 1625390365 WCRXDDRSSSDWTD-MRVPVSSYSA-N 412.274 1.563 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1625790304 CREXFTMPPFMOJM-HZPDHXFCSA-N 416.540 1.345 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)C[C@@H](C)O1 1626926023 BOBPOOCAQJHSHG-CHWSQXEVSA-N 420.516 1.743 30 10 HDEE C[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1629761690 VOECQNHVHXOMGJ-BPLDGKMQSA-N 420.395 1.774 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1631269845 PAEUWLTYDHUGQD-QGZVFWFLSA-N 408.520 1.595 30 10 HDEE C=CCn1c(SCC(=O)N[C@]2(C(N)=O)CCOC2)nnc1-c1ccc(Cl)cc1 1631306378 RFIAVGXEBDFSTF-GOSISDBHSA-N 421.910 1.637 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 1631964173 JOMBYKDQHOTXTE-OAHLLOKOSA-N 411.413 1.806 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)COC1 1633447037 WFUWCCLKSUPBHA-SFHVURJKSA-N 414.506 1.907 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nnc(O)o2)C1 1633715322 JGLQQCWMQLCQJM-LBPRGKRZSA-N 419.463 1.000 30 10 HDEE CC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1634477762 UYYFPQOPNSLYBS-ZMZPIMSZSA-N 403.826 1.316 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 1636140052 YEGYTSNWCILULP-WZGPROSRSA-N 415.490 1.783 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)c1 1636336380 LPMQFKJQWGOSFS-QRWLVFNGSA-N 417.487 1.076 30 10 HDEE C=CC[S@@](=O)(=NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccccc1 1636977616 DZVHOPJNUSRJPP-SANMLTNESA-N 404.473 1.835 30 10 HDEE COc1ccc(CN(CCCO)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1637016476 HSWMXOFIWATGGL-UHFFFAOYSA-N 417.487 1.145 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)c1nc(O)c(C#N)cc1C 1638991691 XXEWDMNSYGDUCR-UHFFFAOYSA-N 416.459 1.463 30 10 HDEE C=CCOC[C@@H](NC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)C(=O)OC 1639559217 VENWWQKYNHRRHV-DGCLKSJQSA-N 411.252 1.735 30 10 HDEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1641029529 BHYUANREVGPZLP-KRWDZBQOSA-N 411.462 1.090 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)ccc2c1=O 1641131327 HSWJKSSYRQNCMI-MRXNPFEDSA-N 419.528 1.520 30 10 HDEE CC(C)c1ncc2c(n1)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1642050793 LRGVEBPBKFCQPD-CQSZACIVSA-N 413.503 1.723 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c(=O)nc1O 1642290907 GNRCUOBYFLQQPB-CYBMUJFWSA-N 405.817 1.398 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](NC3CCOCC3)C2)cc1 1644687166 VDDXCTMHTMBZSW-GOSISDBHSA-N 407.536 1.524 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cc(F)ccc1N(C)C)c1cc[nH]n1 1648245782 AXEHQTOMXKCWCP-GFCCVEGCSA-N 405.430 1.776 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N1CCN(CCC#N)CC1 1648963217 QCVXKJUGJBRAKN-BARDWOONSA-N 412.412 1.030 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(OC)cc1CC(=O)OC 1654180959 ZNBOMWDYKGMNSI-UHFFFAOYSA-N 403.456 1.901 30 10 HDEE C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(=O)OC(C)(C)C 1654657659 AGUNUYOFDBKETE-RHSMWYFYSA-N 421.519 1.663 30 10 HDEE C[C@@]1(C2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)COC(=O)N1 1654813282 ZCHHHXVGYGCKCE-NRFANRHFSA-N 408.462 1.893 30 10 HDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(C)c1OC 1654832254 KHVPETNKWMJCFI-UHFFFAOYSA-N 403.460 1.479 30 10 HDEE COc1cc(C#N)ccc1CN(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1654844651 KZXGHOORHVBWSS-UHFFFAOYSA-N 404.448 1.885 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1656322831 HQRHFBLXUSAAQX-CQSZACIVSA-N 404.533 1.159 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1656431676 DNMZGCNHZQAFEE-DJIMGWMZSA-N 418.437 1.739 30 10 HDEE C#CCNC(=O)CCN1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1659571199 NBUXXKUAEOVOOV-UHFFFAOYSA-N 424.505 1.550 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1 1664406295 GXXSSMIKDOBHLQ-UHFFFAOYSA-N 401.485 1.027 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])nn1 1664571050 RHKYFNOPLXRXIX-UHFFFAOYSA-N 402.230 1.613 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1665158784 FVANEBHNKJGXIR-UHFFFAOYSA-N 404.488 1.243 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 1665482105 GTIVBXWKUSGKLY-INIZCTEOSA-N 418.494 1.795 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)CC1 1665602994 KBVBXWGUZLMHFP-UHFFFAOYSA-N 417.528 1.352 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC[C@H]21 1671495274 PGQWSGOZROFBRP-ZVDSWSACSA-N 406.483 1.586 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)nn1 1673802655 JMFILVFBSRSBLC-UHFFFAOYSA-N 413.526 1.436 30 10 HDEE CO[C@H]1COCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682725933 QOMKGTSURWIXOD-BEFAXECRSA-N 412.494 1.609 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)O2)[C@H]1C 1685277364 REGZFSZRSJXELA-VLJBJNFASA-N 414.510 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689851936 YAPQFTOIYALXCI-GOEBONIOSA-N 403.508 1.130 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCSC1 1690022796 SFBCOEPGHYTFDS-NRFANRHFSA-N 406.515 1.457 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@H]1C 1690104828 JYBGBWSYOHBXEZ-YCRPNKLZSA-N 420.460 1.773 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[S@@](=O)C(C)(C)C 1690106030 HVGXQYGYXKIHJS-GDLZYMKVSA-N 420.583 1.773 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCC2)CC1 1690146847 ZCALLBLGPITEBQ-LJQANCHMSA-N 414.554 1.234 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1690309629 FVWZDVDPUXNRAD-HNNXBMFYSA-N 406.487 1.100 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690343660 ACEHBPBEGNIETH-AWEZNQCLSA-N 423.905 1.386 30 10 HDEE C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690531256 GGPHALYQJAOEIN-GOSISDBHSA-N 403.552 1.967 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1690725641 XGQUGXRTTNRGCM-WMZOPIPTSA-N 407.584 1.894 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1690733980 SCOOPTBBUMLLFL-UHFFFAOYSA-N 415.585 1.351 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1692664403 WSGMZXPUFJBAKX-LLVKDONJSA-N 418.303 1.961 30 10 HDEE COCCCN(C)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697990190 MVJIXGZCZUBXGL-RTBURBONSA-N 417.558 1.274 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)C2CC2)CCO1 1698493010 IAPXAOAAYOYCFO-CQSZACIVSA-N 416.432 1.402 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705524717 RDYCJNRPKXLXSQ-HZPDHXFCSA-N 424.571 1.044 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)CC)n1CCS(=O)(=O)N1CCSCC1 1705573343 FBKCLBBBMQJEJO-INIZCTEOSA-N 409.581 1.243 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccnc1C 1705589879 YSMWQHQJBAVALO-UHFFFAOYSA-N 414.473 1.729 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1705607334 ZIOGJLXFILNRPT-UHFFFAOYSA-N 415.494 1.955 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2cnn(C)c2)CC1 1705636613 QZCXCCGIFOITPO-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@H]2CCOC2)CC1 1705639335 MATVBPLIMNFCAG-UXHICEINSA-N 417.554 1.718 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1705847708 CMEPQXGRPFHEKB-OKILXGFUSA-N 413.544 1.716 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F)C1CC1 1705853398 ZPXXODHGLSYCQU-KRWDZBQOSA-N 412.469 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705899386 QNFDGHXGVIKBGY-OPAMFIHVSA-N 422.489 1.503 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)CC1 1706937275 HVFODOIQZZSWHE-HOTGVXAUSA-N 405.524 1.655 30 10 HDEE Cc1cnn(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1 1707705600 FTOWQIUQZRMIDJ-OAHLLOKOSA-N 420.543 1.224 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1708175971 PZRRCSCZQUWYRU-LPHOPBHVSA-N 423.521 1.062 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1710456444 BBXYVUAJVACMKP-FFZOFVMBSA-N 423.489 1.568 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1710483696 OGMRBSWUFPHEEH-HNAYVOBHSA-N 418.885 1.756 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1712704553 JAPKASWIGJBTDC-UHFFFAOYSA-N 418.523 1.061 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722333547 XBYWEIAJPWKVQL-JKSUJKDBSA-N 418.523 1.669 30 10 HDEE C#CCCCn1c(N2CCC(Cn3ccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722339082 POLJHTXICRKEFX-OAQYLSRUSA-N 413.526 1.852 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722362230 MTRXKOIBKQLQOY-HIFRSBDPSA-N 423.926 1.655 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1722400955 GNRDDTDDYRBUFF-UHFFFAOYSA-N 424.549 1.702 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1Cc1cnnn1C 1722427905 UBRKHQMZKNUXMU-UHFFFAOYSA-N 415.885 1.773 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1722432555 AYHUIMYJRHNOSY-KNKQGSTJSA-N 417.554 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(OC)CCOC2)CC1 1722445294 ONOFFLUSODBINY-QFIPXVFZSA-N 424.505 1.111 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1722448175 VBEDPRADFJNBDT-MJGOQNOKSA-N 401.555 1.994 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1 1722505993 SSONUTVAFMHUMA-PXNSSMCTSA-N 416.526 1.050 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1)C1CC1 1722647050 PTFYHORKMZLGIL-OAQYLSRUSA-N 419.526 1.367 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC2(C1)OCCO2 1722679860 OIUMDCOQNIIASK-HOTGVXAUSA-N 405.499 1.411 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@@H]1CCCCO1 1722862926 FUXRXCLHYGGLIY-PMPSAXMXSA-N 412.560 1.833 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2ccnc2C)cs1 1725412703 MXQGENFMJHRGAK-KRWDZBQOSA-N 412.523 1.958 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1726713755 DCOATVWARDHOBE-FZFLATATSA-N 414.510 1.762 30 10 HDEE N#CCC1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)CC1 1731190837 ZCNBFYJREINBBU-UHFFFAOYSA-N 410.526 1.978 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740615694 JDZDGYOKMSBXGQ-INIZCTEOSA-N 407.540 1.187 30 10 HDEE C#CCN(c1nnc(CC)n1CCCNc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1740626382 UHFRCFHNGWAICF-MRXNPFEDSA-N 402.524 1.364 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N(C)C 1740630404 CBVVYSHOXXZTKP-AVRDEDQJSA-N 411.506 1.899 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCOC(C)C)CC1 1740705502 HUROSHRVHWLNMG-IBGZPJMESA-N 417.554 1.953 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1740710065 PXINNRSDGVDXAW-YQVWRLOYSA-N 415.538 1.911 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740745359 SKJPHZAYAQAMKR-CYBMUJFWSA-N 421.361 1.779 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1740885437 GZESVGJGJIXWFV-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740922120 VHNNKIDVTQILRZ-SFHVURJKSA-N 408.549 1.959 30 10 HDEE CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1743580249 GLBMVANGLSZIHT-HMWBCQRISA-N 417.514 1.279 30 10 HDEE CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1743580250 GLBMVANGLSZIHT-RMYFCYLKSA-N 417.514 1.279 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1747411360 OMJZUCGNQBPHIQ-CRAIPNDOSA-N 413.544 1.567 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1748670921 DTRUZUHQQZXNGM-BQFCYCMXSA-N 405.568 1.655 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1748689398 BQHSRLHCWOFULZ-PVAVHDDUSA-N 410.540 1.285 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1noc(CC)n1 1748837801 NBRUVZSFZVRCOJ-UHFFFAOYSA-N 418.457 1.977 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749189372 HQLAGILNWYCVIJ-SFHVURJKSA-N 418.542 1.077 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCSC(CC)(CC)C1 1749650329 SIXKPZNZPRIEBB-UHFFFAOYSA-N 420.583 1.928 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC)C1 1749658874 XCZATRIMEUWQRN-MRXNPFEDSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCc2ccccc21 1749676842 FWMYWMLFTZUSAT-SFHVURJKSA-N 408.506 1.826 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749721884 WDMQCIVVSWLSJD-GJZGRUSLSA-N 418.585 1.406 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1750007395 KLKWSASRWBNQSG-QWRGUYRKSA-N 424.246 1.719 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1752418651 BFSYTAZNBQYJRP-NVXWUHKLSA-N 401.515 1.080 30 10 HDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N(C)CCNS(C)(=O)=O 1760154089 OBXMAUJTCAOMSQ-UHFFFAOYSA-N 409.943 1.921 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1760180983 NWGOTHLNDAWABM-YLJYHZDGSA-N 424.567 1.601 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1760187791 GSOIBFTZKJSLGG-QGZVFWFLSA-N 403.508 1.129 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1760191935 BVMIVXAWTIHPON-UHFFFAOYSA-N 400.483 1.112 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCOCC1 1760215375 YMGXOQYDDYYDMD-UHFFFAOYSA-N 416.489 1.810 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[S@](=O)C(C)(C)C)CC1 1760262263 KGDRLSAFLSRSBQ-LJAQVGFWSA-N 414.579 1.566 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1760292985 MBRPVJSXUCAWHP-RTWAWAEBSA-N 414.531 1.795 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760387455 NQRAZVLGLJBWAH-MRXNPFEDSA-N 410.540 1.268 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760504935 GMVGXTCEWXHRHB-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1760522091 LRKJPNPQYNXWFP-OAGGEKHMSA-N 409.556 1.497 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)C1 1760541582 FAFVFZWCNGWDJJ-IPMKNSEASA-N 405.543 1.674 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CCO1 1760667790 FZRDTZKBYNIFKP-LJQANCHMSA-N 406.446 1.799 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)C1 1761131010 AXZNCOYIRAJZPT-QZTJIDSGSA-N 415.542 1.326 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1766686758 FBGXVDCJUPZJDJ-HUUCEWRRSA-N 403.508 1.865 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1(C)C 1769092494 ZOQZQNZTPKFYJL-SFHVURJKSA-N 424.505 1.537 30 10 HDEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1770166642 OUKYMUJGAADKFV-UHFFFAOYSA-N 413.526 1.733 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)CC1 1770753126 CFFOARDUKYRKOU-QGZVFWFLSA-N 416.526 1.932 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)N1CCOCC1 1772788637 YJPYUECXTNCPNN-UHFFFAOYSA-N 422.440 1.137 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC2(CC1)C[C@H]2C#N 1849222296 MRBWEHDMAPOEIY-IRXDYDNUSA-N 404.536 1.944 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)c(C#N)c[nH]1 1851303181 PXNAAXVFBKMZSE-NSHDSACASA-N 400.236 1.833 30 10 HDEE Cc1nn(-c2ccccc2)c(NC(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)c1C#N 1852099634 JYXQUTOHOOGVTB-SFHVURJKSA-N 415.519 1.746 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)cc1 1853158207 PLZXMQOBEIDZEE-CYBMUJFWSA-N 404.430 1.590 30 10 HDEE CC(C)N1CC[C@@H](N2CC(=O)N(C(=O)c3ccnc(C#N)c3)c3ccccc32)C1=O 1854016866 JVNLRXGVOSGZNE-LJQANCHMSA-N 403.442 1.956 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C(C)(C)C2=O)cc1C#N 1854390737 DDGRCFMSEMXDBH-OAHLLOKOSA-N 403.504 1.364 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854401775 SJOIMIFNZNIXIX-OAHLLOKOSA-N 405.476 1.291 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@@H]3CCCO3)c3ccccc32)cc1 1854479712 KIDYXDAURAMLRQ-SFHVURJKSA-N 411.439 1.806 30 10 HDEE COCCCN1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1855005524 DCBYJMYRYJLQCR-KRWDZBQOSA-N 418.925 1.801 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855060653 QDQZROXTBGLVSJ-IAGOWNOFSA-N 416.547 1.628 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1=O)CC2 1855101185 WUYGKZQEWDPSIT-SJLPKXTDSA-N 405.462 1.419 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855252320 DUAARAXOUHOHBY-AEFFLSMTSA-N 411.568 1.606 30 10 HDEE C=CCN1C[C@@H](C)C(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1856031676 DVZGVLOEZOUQRH-OAHLLOKOSA-N 409.508 1.096 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@H]3Cc4ccccc43)C2)C1 1856379281 SGANTULBROTTCG-KXBFYZLASA-N 402.454 1.731 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CCOCC4)C(=O)C3)C2)s1 1856380155 MQXIEPXOIBRRBR-MRXNPFEDSA-N 402.520 1.291 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cncc(OCCOC)c3)C(=O)C2)C1 1856856496 DAAACQDUJTYETR-GOSISDBHSA-N 402.495 1.042 30 10 HDEE C[C@@H](CC(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1857071909 WBENHPJAVPRDCW-WMZOPIPTSA-N 407.478 1.051 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)C[C@H]3CCCCO3)C2)C1 1857460795 FEAZGUSOAHWKRW-DLBZAZTESA-N 412.490 1.741 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1857489936 LFTJXHAQWCAHED-MSOLQXFVSA-N 423.510 1.614 30 10 HDEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1858439209 SDCBPJXEHQMEDC-UHFFFAOYSA-N 411.487 1.813 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)n1 1858762574 DRTOXKWKUDGTTB-UHFFFAOYSA-N 423.473 1.887 30 10 HDEE CSc1ccc(Cl)cc1CC(=O)N1CS[C@@H](NCCCNC=O)[C@@H]1C=O 1860887068 NAISDAAIBDRECT-WMLDXEAASA-N 415.968 1.757 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861201580 JZGUBFLPUUKBLU-WBVHZDCISA-N 406.914 1.214 30 10 HDEE N#Cc1nnn(Cc2ccc(F)cc2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095589 QLQAKXVJGRFUDT-UHFFFAOYSA-N 414.378 1.985 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)Nc4ccccc4F)cnc32)cc1 1870100029 MFCZHUDFWOBONG-UHFFFAOYSA-N 403.377 1.686 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccnc(Cl)c3)cc2C1=O 1870152893 QFXBBHOLFKKDLI-UHFFFAOYSA-N 407.777 1.665 30 10 HDEE C#CCOc1cn(CCCOCCCC)c(CN2CCN(C(C)=O)CC2)cc1=O 1870559961 VNZLIFGFENZRJG-UHFFFAOYSA-N 403.523 1.731 30 10 HDEE COCc1nnc(SCCCO)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874503268 ZCBNELGVLNUBBO-RQZCQDPDSA-N 409.424 1.461 30 10 HDEE CCOc1cc(/C=N/n2c(S)nnc2CNC(C)=O)cc(Br)c1O 1874560046 DHHVFPCWTHSINP-UBKPWBPPSA-N 414.285 1.952 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCC3(CC1)OCCO3)n2CCOC 1875223319 GRIPYVXDCVYQIX-UHFFFAOYSA-N 401.467 1.655 30 10 HDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1880979484 DKWJRXMBNZJDCC-CQSZACIVSA-N 400.391 1.740 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCCS(=O)(=O)NCC#CBr 1895212577 REPCWCHKSYVBHT-UHFFFAOYSA-N 413.293 1.728 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CNS(=O)(=O)CC#N)C1 1904864660 FFEHBRRNMAETLP-QGZVFWFLSA-N 408.524 1.551 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908253894 CEYGFAPCECJQEK-ARKGTOAJSA-N 422.331 1.907 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1984836110 QRRAKUUTMARFIW-JOCHJYFZSA-N 415.490 1.702 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](C#N)CC1 2046027786 ZRPJKJCXBGTRDQ-AUUYWEPGSA-N 407.467 1.966 30 10 HDEE Cc1csc(CN(C)S(=O)(=O)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2157041821 OWQUNQXTOGQVFJ-UHFFFAOYSA-N 423.387 1.119 30 10 HDEE C=C(CNC(C)(C)C)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 2165101494 DXVXKTQJFCJARL-CVEARBPZSA-N 401.573 1.649 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C#N 2174782090 MLSDJPBWFQLWMA-ZBSNKRKSSA-N 414.509 1.715 30 10 HDEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1 2229034983 WBNOTPDMTRKILR-UHFFFAOYSA-N 414.439 1.077 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2243108067 FUEKPBCLJWXOLY-GFCCVEGCSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CC(CO)C1 2245258470 IVBFETZTRSAFDM-CMDGGOBGSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@H]21 2247811783 CCFPUUSBUDZUMU-ZIAGYGMSSA-N 418.303 1.543 30 10 HDEE Cn1nc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247817658 OXNCHYXJKLTOFY-STQMWFEESA-N 420.319 1.362 30 10 HDEE CCc1nn(C)c(C(=O)N(CCO)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247915597 GHCLDIZORVJAES-UHFFFAOYSA-N 413.327 1.916 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921423 OOOMOBKOOULPHN-VXGBXAGGSA-N 423.323 1.146 30 10 HDEE C[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247923251 VOQNHEFBCRBEJG-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)[C@H]21 2249998075 CVXVMCQFCOGMMF-ARFHVFGLSA-N 420.315 1.762 30 10 HDEE Cn1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1B1OC(C)(C)C(C)(C)O1 2255821463 FSXWICYUUWWMFD-DZFIZOCASA-N 422.338 1.580 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCNC[C@@H]3C#N)cc2Cl)OC1(C)C 2282305080 SXZCOCQOFVKABI-JTQLQIEISA-N 417.749 1.187 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282332361 ZQRMZGHNENVADM-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE CC[C@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282345821 RIRIGEZIZGXUNO-UONOGXRCSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CC[C@](C)(O)C2)OC1(C)C 2282417571 CRTNXLITFAUYFR-BZNIZROVSA-N 402.347 1.165 30 10 HDEE C[C@H]1[C@@H](C)OCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495464 MUSURPLPSVYMJB-QWHCGFSZSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCS(=O)(=O)C(C)(C)C2)OC1(C)C 2282522650 NIJMLNUQIOQHKV-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CC(C)(F)C1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282844153 YXFWPFDRVDJNRW-UHFFFAOYSA-N 404.338 1.952 30 10 HDEE C[C@H]1C[C@@H](O)[C@H](C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849544 COYFOFJQFYSYSA-MBNYWOFBSA-N 401.359 1.827 30 10 HDEE CCN(C)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866519 KXYOURJQOLOCAV-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCO)CC(F)(F)F)OC1(C)C 2282869086 XBAAIYLHTYKYTE-UHFFFAOYSA-N 415.264 1.593 30 10 HDEE C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876190 ZKTPSZRGVVDYPJ-WDMOLILDSA-N 401.721 1.687 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CN 2282876314 BEXXGSWSGZHDLH-YVEFUNNKSA-N 400.375 1.653 30 10 HDEE COC(=O)N(C)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877273 PFCVKKBYGPPPJK-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284404121 WKDVAPRDRJNFNN-LLVKDONJSA-N 403.331 1.887 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C(=O)O)CCC1 2284406803 CNPKEBYKYXLXMJ-UHFFFAOYSA-N 401.315 1.641 30 10 HDEE C[C@@H]1C[C@@]1(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284416566 ZPKWUZFNKRVNMI-GLEZIHRCSA-N 421.733 1.842 30 10 HDEE C=C(C)C(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COCC)=C31)O2 2333100234 UBMOPFJLLXVNIM-FCRQHZQGSA-N 408.447 1.661 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2OCCC[C@H]21 2365203402 SRBHWVCAQHSAAO-DEXNDLTESA-N 400.541 1.603 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)C1 2365254838 RNIBTNCIUYFDNR-UGSOOPFHSA-N 403.497 1.730 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367786063 UQEXJPJCQONQMA-LSDHHAIUSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2367790623 WMXQUCIGVCDXGP-CVEARBPZSA-N 400.541 1.571 30 10 HDEE C=CCN1CCN([C@@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)[C@H](C)C1=O 2372873785 VOXHYUHCVLCFRU-VGSWGCGISA-N 415.490 1.961 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2375784410 JODLCFWGJUDFJG-LBTNJELSSA-N 402.513 1.372 30 10 HDEE C=C(CS(=O)(=O)NC1C[C@@H](C)S(=O)(=O)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2380744647 LCEJFYMGDHKHBD-CHWSQXEVSA-N 407.363 1.448 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)c1 53298389 PALLYLPGUUYVRT-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(C)c(C#N)n2)CC1 302708575 KQBAXVMAKFIVHM-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE COS(=O)(=O)OC[C@H]1CO[C@@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 306146772 OCMWAKKCBQCYLK-BXUZGUMPSA-N 424.262 1.761 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c(F)c1 467152765 RRLUXHXAVJDOTL-AWEZNQCLSA-N 413.446 1.629 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)CC1 481280914 JIWUTDUBNQGNAY-UHFFFAOYSA-N 408.433 1.858 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(SC)c(OC)cc2[N+](=O)[O-])CC1 484880509 PAUGZQRCMPOAOJ-UHFFFAOYSA-N 408.480 1.385 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)S(=O)(=O)c1cccnc1 499409847 XJIAKADEOQILLA-HNNXBMFYSA-N 423.292 1.846 30 10 HDEE N#Cc1ccc(N2CCN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)c(F)c1 507161811 AYRCQFZYZIPGRM-MRXNPFEDSA-N 408.433 1.476 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 513877547 AHGXIYHUYYPMHB-UHFFFAOYSA-N 417.466 1.377 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 517784646 UDIQNGBWIZBOBZ-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)N(CC)CC)cc2)CC1 522308347 IWDJPTNTJFFBAC-UHFFFAOYSA-N 415.538 1.298 30 10 HDEE CN1CCN(C(=O)CC2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 532827366 MWUHPHODFFQMLI-UHFFFAOYSA-N 418.563 1.208 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1C 543909524 HQWZNBZCJHJSPW-UHFFFAOYSA-N 418.866 1.896 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccccc3OC(F)F)CC2)n1 546251156 GXFLYFOSXKGQCF-UHFFFAOYSA-N 415.400 1.633 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccc(OC)c(F)c2)c1 548595457 QLBFIOASNLQQIP-QGZVFWFLSA-N 422.434 1.854 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 553224752 PDJRZZWZJPZWET-UHFFFAOYSA-N 415.519 1.865 30 10 HDEE COCCn1nnc2c1CCN([C@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 559289309 AIVAGOUVKRFVRA-GFCCVEGCSA-N 400.508 1.732 30 10 HDEE C=C(C)Cn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 563733238 NPEGCUJXAJZFPG-INIZCTEOSA-N 412.560 1.067 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)ccc1C#N 570505322 STFIBVVCMBSLEV-UHFFFAOYSA-N 413.452 1.556 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2cc(F)ccc2F)CC1 585227168 OMPVTZFYQICUHI-UHFFFAOYSA-N 400.389 1.598 30 10 HDEE N#Cc1cc2c(nc1N1CCC[C@@H]1Cn1nc(-n3ccnc3)ccc1=O)CCOC2 585601335 BJBYPIRMPSFAEW-QGZVFWFLSA-N 403.446 1.437 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 604022896 IQBWSPMARKNARD-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE COc1cc(C#N)ccc1OCCN1CCN(c2ccccc2S(N)(=O)=O)CC1 615456163 FQEPVMBYOLCGPQ-UHFFFAOYSA-N 416.503 1.415 30 10 HDEE Cc1cccc(-n2c(=C(C#N)C(=O)N3CCOCC3)sc(=Cc3ccoc3)c2=O)c1 727414784 BOHGTRHOUSCXGN-UHFFFAOYSA-N 421.478 1.162 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1 730300276 WACUDRIGJJSJFT-SFHVURJKSA-N 409.467 1.933 30 10 HDEE C#CCN(CC(=O)N(CC)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731213240 YKMHNMVVNVBHFY-KRWDZBQOSA-N 408.520 1.175 30 10 HDEE C=C(COC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OCC 734028269 IFEXWFFDROQRJH-VGMNTSGFSA-N 400.431 1.452 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)cc1C#N 746679682 AXUDCEIJIGPKML-UHFFFAOYSA-N 403.460 1.690 30 10 HDEE COc1ccc(CNC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1C#N 746785634 RURMLRVGOQXFRX-UHFFFAOYSA-N 413.522 1.843 30 10 HDEE COc1ccc(CNC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)cc1C#N 746873259 UNLKNIRYVXXVBK-UHFFFAOYSA-N 419.459 1.886 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCNC(=O)c2ccccc2)ccc1F 749812506 OLNUDRHIIUXYKA-UHFFFAOYSA-N 419.478 1.840 30 10 HDEE C[C@H](CC(=O)N1CCC(c2cnc[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 751399081 VJCPQUXOCIWZAU-CYBMUJFWSA-N 401.492 1.633 30 10 HDEE C=C(C)[C@H](CC(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)OCC 756586587 XFEMPMRUBXSSJE-INIZCTEOSA-N 408.480 1.570 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 758193834 RMCAEMIEUJANHA-OAHLLOKOSA-N 418.906 1.655 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 760997358 QFRJISGLUPUJMZ-HXUWFJFHSA-N 418.501 1.976 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C 761963662 WSLOSUVPYILMHZ-LJQANCHMSA-N 417.473 1.498 30 10 HDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)c1cc(C(N)=O)n(C)c1 765232847 IMCIAAMANSKGOF-UHFFFAOYSA-N 414.237 1.534 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCOC[C@H]2CCO)CC1 765432421 ZHEBEHYYXXDLCP-OAHLLOKOSA-N 400.435 1.632 30 10 HDEE N#C[C@@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N1CCS(=O)(=O)CC1 766873094 JODVINOQMQYPFL-AWEZNQCLSA-N 402.394 1.604 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 770394747 LTSLTUFEKQHKNB-UHFFFAOYSA-N 410.503 1.900 30 10 HDEE COc1nc(O)cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)n1 770510553 BFDCIVOJEHAVLG-LBPRGKRZSA-N 400.391 1.692 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 775238762 VRHOHVYQTLCUDA-DLBZAZTESA-N 423.558 1.404 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](C2CC2)C1 777196903 COXYAQPLBMXXOS-KRWDZBQOSA-N 405.520 1.923 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 779411425 FBQIZLRSVMXSNJ-MISYRCLQSA-N 403.548 1.729 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1)[C@H]1CCS(=O)(=O)C1 782080669 CUBYYUIVULBMOX-IBGZPJMESA-N 418.519 1.009 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCn2c(S)nc3ccccc3c2=O)CC1 789891236 ROXOJALHEWCRQD-UHFFFAOYSA-N 420.498 1.691 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)CCNS(=O)(=O)c2ccc(C)cc2)CC1 790844239 OWQWCRAIVYRBLM-UHFFFAOYSA-N 410.492 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 803108450 WZTGARWTUNISFD-QGZVFWFLSA-N 415.494 1.628 30 10 HDEE N#Cc1cc(O)cc(C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 811188437 KGIYPIPIFPBVHA-UHFFFAOYSA-N 407.426 1.842 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 816994313 NYLUUICMSLEPLS-DAXSKMNVSA-N 411.487 1.687 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(c3nc(CCS(C)(=O)=O)no3)C2)C1 904879507 UEPHIVOBNJHFLO-XYEKJYRLSA-N 410.496 1.911 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)cc1 916777590 LXFRBOHHKCTJKT-UHFFFAOYSA-N 410.455 1.683 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1127181325 JJAJSXJRHLRBNQ-LJQANCHMSA-N 407.536 1.699 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@@H](C)C#N)C1=O 1130165922 SWFHYJUHVDLOME-LBPRGKRZSA-N 422.363 1.923 30 10 HDEE CCc1c(C(=O)N(C)[C@@H](C#N)C2(SC)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1132695497 WDQVQDZLSQZNEZ-ZDUSSCGKSA-N 401.492 1.054 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)n[nH]2)c1C 1137892389 NWHDKNNLMXANDR-RHSMWYFYSA-N 400.483 1.442 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(Br)cc1)C1CSC1 1146874810 WLKZUBHAFGANSU-UHFFFAOYSA-N 417.350 1.695 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CS(C)(=O)=O)s1 1158733682 LXWDDCGOEMJSJH-ZDUSSCGKSA-N 420.578 1.181 30 10 HDEE CC(C)(C)OC(=O)CCC1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1165934926 DMBBMFZNIGJFST-UHFFFAOYSA-N 404.467 1.571 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1171843335 IDMJCUJSLUFECV-MOPGFXCFSA-N 409.421 1.317 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(CC4CC4)nnc3C2)c1 1192143999 QVVBDPCVQGYPLK-UHFFFAOYSA-N 401.492 1.351 30 10 HDEE C#CCN(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1231362533 QJUBFUJRJTUDPL-HZPDHXFCSA-N 415.556 1.758 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1235202475 HHEMKXJVIAGPDE-LBPRGKRZSA-N 417.251 1.114 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(O)nc1=O 1255255326 BNCZWRZZHZILFL-UHFFFAOYSA-N 410.478 1.607 30 10 HDEE N#CCN1CCC(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1265010575 IXFWJMQXEMASEN-UHFFFAOYSA-N 414.325 1.717 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)C1=O 1270493842 OPLSTSQBDBIHOC-CQSZACIVSA-N 404.268 1.889 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286389417 JREIAVFRQGRIRR-DNVCBOLYSA-N 404.492 1.283 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1286408887 GGZOUDOZQCMNLT-ADKAHSJRSA-N 404.536 1.458 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(O)(CC)CC)CC1 1286489722 DNUNDLFTPHCIGX-UHFFFAOYSA-N 411.510 1.252 30 10 HDEE C=C(C)COCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286614153 MLGWZGSCKJGPRA-NRFANRHFSA-N 421.542 1.628 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1286759119 IUGPYJAOLZNAGT-JOCHJYFZSA-N 407.522 1.762 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286786647 IDHDPNXJRZBVIL-QGZVFWFLSA-N 410.526 1.350 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288282354 TUHDGJQEONFEGD-LJCCNALRSA-N 407.515 1.597 30 10 HDEE C[C@@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1291020255 CUNPOCJAQPEMHK-IAGOWNOFSA-N 424.505 1.870 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)c2nccn2c1 1293032257 KXIQYVKJJYTGJK-SSZFMOIBSA-N 404.224 1.353 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(OC)cc(OC)cc1OC 1293145727 AUKHCWSDPICKEU-HNNXBMFYSA-N 401.467 1.838 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)C(=O)OC 1299179285 OVUVGWJUAOWHGM-CRAIPNDOSA-N 406.504 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)CN1CCOCC1 1300267729 JDHWKJJVVATHTR-IAGOWNOFSA-N 404.559 1.623 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1300458494 IPUHVXLXNDDFSL-IAGOWNOFSA-N 401.536 1.986 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300497530 ZTMUWPCJSVNOQZ-BBWFWOEESA-N 409.556 1.097 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)C)CC1 1300873615 KQFCGCUQUOUCAK-ZWKOTPCHSA-N 404.559 1.928 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC(C)(C)C1 1301477609 CPTXIRLBHYOLKN-UHFFFAOYSA-N 415.523 1.559 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301484105 ASCYVNQPRGFQQP-AWEZNQCLSA-N 408.462 1.660 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1301507022 TZLDZGUAAUTZTR-SFHVURJKSA-N 408.506 1.291 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)C1 1301555819 DLDHBQXSBSBXBL-BRWVUGGUSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](COCC)C1 1301596034 FXUVIIXVUQBATG-DLBZAZTESA-N 412.556 1.983 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC(F)F)CCN1C1CC1 1303009193 GPMLUHNLWCOPGB-HNNXBMFYSA-N 423.468 1.206 30 10 HDEE CN(C)CCN(CCN(C)C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1306598964 QMYJEKDYVWMRMO-UHFFFAOYSA-N 422.371 1.709 30 10 HDEE C#CC[C@H](COC)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1313096403 ARSFKCRUSFTJCH-CABCVRRESA-N 403.483 1.611 30 10 HDEE CCN1CC[C@@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)C1 1313897732 XCXPEOKTOSZWAH-WBVHZDCISA-N 401.540 1.704 30 10 HDEE COC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1315125522 BIIWIFDBJQCDHF-UHFFFAOYSA-N 407.434 1.665 30 10 HDEE N#CC1CCN(c2nnc(CCOc3ccccc3)n2CCCn2cnnn2)CC1 1316535646 WUYZZOATGFUCST-UHFFFAOYSA-N 407.482 1.716 30 10 HDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C)[C@@H]1COCCO1 1319199726 HFNNZAMIZIQLKG-HNNXBMFYSA-N 400.457 1.829 30 10 HDEE CC(C)n1c(S)nnc1C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1322075378 CXUGCTVFNFUCCV-FBMGVBCBSA-N 418.523 1.770 30 10 HDEE CCOc1cc(C#N)cc(Cl)c1OC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1348457565 TVOMDBWXOBCBPO-UHFFFAOYSA-N 410.839 1.660 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1349455492 BLANBZVFGFBQNE-QAPCUYQASA-N 424.461 1.285 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCC2(O)CCC2)CC1 1359044509 IBQBBEQESSYRHF-SFHVURJKSA-N 415.538 1.791 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1359203850 XINQYNYXHQXSIK-SJORKVTESA-N 409.556 1.641 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1359241673 YPUYJBSYCWZNHU-AWEZNQCLSA-N 408.503 1.297 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359330473 SPRGQNJOMFVVMD-YJBOKZPZSA-N 417.535 1.945 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N3CCN(c4ccc(F)cc4C(N)=O)CC3)n2)c1 1438003268 ZFTWQZKYAROHRP-UHFFFAOYSA-N 418.432 1.944 30 10 HDEE COC[C@]1(C(=O)OC)CCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1438033031 QHFQEQNYORCSMG-FQEVSTJZSA-N 422.503 1.948 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1440045898 PFKQRBXGMQHRLB-UHFFFAOYSA-N 403.464 1.566 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)NCCN(C(C)C)C(C)C)CC1 1452159842 CICQMKFSMPRRLE-FQEVSTJZSA-N 408.587 1.931 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 1453388801 ICEOPXRFVVYEMY-QWRGUYRKSA-N 407.439 1.491 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1OC 1453509573 MMZVCZQQPBAUBN-FNORWQNLSA-N 411.462 1.827 30 10 HDEE Cc1nsc(N2CCN(C(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)CC2)c1C#N 1457838602 VIBRLZIXGIKTGU-HOCLYGCPSA-N 406.508 1.673 30 10 HDEE Cc1cc(C#N)nc(N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1458722278 ICFCGMSFAJHWJK-INIZCTEOSA-N 400.483 1.705 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)ccc1Br 1463959761 GMWGCOSVXSZHRX-LBPRGKRZSA-N 412.269 1.769 30 10 HDEE C=CC1(CC(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1466317688 NKJBRNRJQOOJRH-GJZGRUSLSA-N 424.494 1.753 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](Cn4ccnn4)C3)CC2=O)cc1Cl 1470304192 SKKHBADOUYPCSL-HOCLYGCPSA-N 414.853 1.084 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1478671402 DXTPRYGFXZLSPS-UHFFFAOYSA-N 418.441 1.328 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1493170195 RJKVOYISMPKDGY-APWZRJJASA-N 424.505 1.679 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccnc1 1503067945 NPEZPZPICIRJSE-UHFFFAOYSA-N 405.462 1.987 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1503639173 HMQFYZIDJZFPND-LJQANCHMSA-N 424.505 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1507528937 PPHWQSWLNZBREZ-CABCVRRESA-N 420.539 1.358 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1507531432 DZYAYJOGGQQPSE-MSOLQXFVSA-N 410.522 1.910 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(OC)CCOC1 1507811974 HKHHXITWOOVBPL-PBHICJAKSA-N 401.533 1.096 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCNS(C)(=O)=O 1507818730 YBLZMUDQUZVBQB-UHFFFAOYSA-N 424.527 1.348 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1508135096 JROKZTAOUPSYES-UHFFFAOYSA-N 413.450 1.540 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508160483 URRXKDDWXXJVBC-IRXDYDNUSA-N 420.583 1.307 30 10 HDEE CC(C)(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1508623136 JXISATAVWHWNGR-HNNXBMFYSA-N 402.524 1.964 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(O)c2)CCOC1 1509820968 YBICIZKUORXEBC-NQIIRXRSSA-N 413.478 1.801 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)C[C@H]1O 1517691221 VZJCYEZYEKCBNN-CEXWTWQISA-N 423.473 1.870 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCCC1 1519166945 ZAFGHVQRGQDFCN-INIZCTEOSA-N 404.515 1.584 30 10 HDEE CC(=O)N[C@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(Cl)cc1 1525459141 GGRKVQWJSSVXSY-MRXNPFEDSA-N 416.869 1.977 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCCNC(=O)c1ccc(F)cc1 1532115008 ZYGSGBDXXGGROH-UHFFFAOYSA-N 400.414 1.406 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccn(CC)c1=O 1539186584 IPKZGMWENIRAFX-UHFFFAOYSA-N 401.474 1.816 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539201442 ABJVWFXFIDOGHF-FVQBIDKESA-N 407.540 1.404 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1ccn(C)n1 1539415209 BGCMRFQWHLTAKP-HXUWFJFHSA-N 422.489 1.853 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC2(OCCOC)CCOCC2)CC1 1539429522 ACNCIRHMSUHOBP-LJQANCHMSA-N 419.570 1.759 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOC(F)F)CC1 1539475719 NFCYTTFRPHVQAO-UHFFFAOYSA-N 406.437 1.868 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539515194 ZSGQPIFVFIZNGY-HOTGVXAUSA-N 418.567 1.338 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539637222 OKPCGMVMYOEINT-HBFSDRIKSA-N 416.570 1.565 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540080869 QOCPSNXEJLIDBT-MRXNPFEDSA-N 419.551 1.781 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1)C1CC1 1540109901 WGLRGUNGBLKAOQ-MRXNPFEDSA-N 423.583 1.446 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(OC[C@@H]3CCOC3)CC2)nnc1C(C)(C)C 1540876304 NFHJGJAHUZENBM-MRXNPFEDSA-N 405.543 1.900 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)NCCC)CC1 1540901820 QGZQVSUQTMNSFU-UHFFFAOYSA-N 409.556 1.499 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 1544351607 HOYMSDCRLBEAFW-SFHVURJKSA-N 424.519 1.720 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1547250389 FDKGVUDWOIMCFL-ZWKOTPCHSA-N 421.505 1.400 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3N)C2=O)cc1 1556458065 YVGOQWCQODZXKG-LJQANCHMSA-N 400.442 1.857 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2cccnc2c1O 1557122861 KKCMRQXZXAASGJ-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1557239042 LYLJGJFQPMRZOM-FPMFFAJLSA-N 404.467 1.329 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cccc(CNc2ncccc2C#N)c1 1558043751 QXMMJYQXZIETOS-SFHVURJKSA-N 424.457 1.990 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H](C(F)(F)F)[C@H](CNC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1559274254 SMZYVYPGBHODDN-MWLCHTKSSA-N 417.388 1.085 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@@H]3OCC)c1 1565910846 HHFUABMNYFNKDY-OALUTQOASA-N 405.516 1.876 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1568888506 QSPAXUSWMVAUBD-JKSUJKDBSA-N 415.556 1.423 30 10 HDEE CS(=O)(=O)c1ccc(OCCCC(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1586254550 NTOUQMFSHVEUIV-UHFFFAOYSA-N 404.448 1.486 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)CCCN1C(=O)OC(C)(C)C 1587267323 PMKFNWNLFBHMHY-DNVFCKCGSA-N 420.598 1.977 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OC)CCC(CC)CC1)c1cc[nH]n1 1587521389 BAQZLQCWBRVINB-UHFFFAOYSA-N 408.455 1.322 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587856399 KTSAINKPCVWUQX-CVEARBPZSA-N 400.483 1.058 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1587921615 DACFSJFNADAIPG-UIFIKXQLSA-N 404.511 1.726 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cnccn2)CC1 1589571112 XTEJWVDPAQMSAN-PXNSSMCTSA-N 413.526 1.912 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1593809071 WXZWEZCYXBPDKE-CHWSQXEVSA-N 401.858 1.393 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCSC2(CCOCC2)C1 1595523529 XLGJNDXOBXBDMD-UHFFFAOYSA-N 414.535 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595784085 BXXLSSNFIIZTBZ-MRXNPFEDSA-N 405.524 1.802 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1598197554 YCGSJOFBZZALGE-QFBILLFUSA-N 400.439 1.989 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)n[nH]2)c1C 1598234882 LJOOVAMTSMRFBE-UHFFFAOYSA-N 420.539 1.620 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2O)cc1 1603058968 LXWPQORIMGRGOC-UHFFFAOYSA-N 418.427 1.351 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)c1 1613612195 XNMLXWVOKPEOCM-UHFFFAOYSA-N 419.191 1.849 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)ccc2CC)CC1 1615208834 ICIIKTVGIDLSCC-UHFFFAOYSA-N 406.324 1.909 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)c1 1617395043 FSGGYROXMYWARJ-IBGZPJMESA-N 403.548 1.336 30 10 HDEE COc1cccc(/C=C(/C(=O)N2CCC3(CC2)CC(=O)C=CO3)n2nnnc2C)c1 1617947166 LGIUVMDZCOJOCF-UYRXBGFRSA-N 409.446 1.853 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1619832755 ADRUBUXVIHCXDL-HXUWFJFHSA-N 401.467 1.353 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)CCC(C)C 1620111391 SYELMPNZWYWINL-RYLXDESZSA-N 421.542 1.918 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1620148877 IGDIHUSHHUTQEA-INIZCTEOSA-N 407.540 1.879 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC2CCOCC2)CCO1 1620354731 CBTZBBCDWQIRTP-LJQANCHMSA-N 412.494 1.578 30 10 HDEE CC[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 1621300193 WZVAWYFRIULCFS-KRWDZBQOSA-N 407.511 1.391 30 10 HDEE COC[C@](C)(C#N)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1622327912 FJNFBSALYUISQP-IBGZPJMESA-N 414.503 1.793 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1 1622886393 DOGAXSRWQAHYQJ-UHFFFAOYSA-N 413.521 1.001 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)C[C@@H](O)c1ccc(F)cc1)c1cc[nH]n1 1623629723 HMDOBWGIMVEUGR-MLGOLLRUSA-N 406.414 1.461 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1626328790 RRWAQXNVAAHZMS-ZCXUNETKSA-N 420.491 1.618 30 10 HDEE C#CCn1cc(CNC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)cn1 1626740407 KWSLLSHJDJTEGT-UHFFFAOYSA-N 401.471 1.343 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(N3CCCCC3)CCOCC2)c1 1627028076 HUZABEDAMXUGSJ-UHFFFAOYSA-N 423.510 1.888 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCCC2=O)C1 1628979014 ZXNAGDPEELNUSW-UHFFFAOYSA-N 405.296 1.886 30 10 HDEE Cc1ccc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1S(=O)(=O)NCC#N 1631432861 CBLXGECNAPZVGJ-GOSISDBHSA-N 421.519 1.094 30 10 HDEE C#CCOCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1631468776 DCBGMYQWGCGWSO-SFHVURJKSA-N 422.547 1.283 30 10 HDEE C#CC[C@@]1(C(=O)NCc2cn(C(C)C)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1632996517 AOQDMTKYXUHDOD-NRFANRHFSA-N 418.494 1.939 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCO1 1634592160 GOAKBRHJMKKTSA-OAHLLOKOSA-N 404.851 1.081 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1637185571 YHPOTMWNENUCOF-RXAIFQJESA-N 400.541 1.938 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1637696471 FLRFEUNIZIGJAZ-SMDDNHRTSA-N 416.293 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(Cc3cn[nH]c3)CC2)CC1 1639495757 KMTKVSFBLDHVFH-UHFFFAOYSA-N 401.511 1.704 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc3c[nH]nc3c2)s1 1640535326 SSBQKOJNSSEKNQ-UHFFFAOYSA-N 404.517 1.990 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc3c2OC(F)(F)O3)cc1 1641697706 CVJPLWNHXYOARA-UHFFFAOYSA-N 422.409 1.892 30 10 HDEE N#CCCCn1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c2ccccc21 1642373428 NGFMYGZCAFWASS-RBUKOAKNSA-N 401.488 1.973 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)c1 1642542871 FZQZHEGBBCCKLA-UHFFFAOYSA-N 402.501 1.621 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)COc1cccc(Br)c1C#N 1644145484 IYTMNURKKWMVHK-LBPRGKRZSA-N 413.224 1.120 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2csc(-c3ccn(C)n3)n2)cc1 1645384870 NXTJMSKQCHCSIK-UHFFFAOYSA-N 415.500 1.385 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)c1 1648169558 KRGIWYPHKCYJQZ-UHFFFAOYSA-N 404.410 1.375 30 10 HDEE Cn1cc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)nn1 1648646484 WSQCRXHBTZYCCH-INIZCTEOSA-N 401.492 1.912 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(C#N)c1=O 1651346295 ZSGYAJKMSWUVPL-JTQLQIEISA-N 407.352 1.249 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)COc3cccc(Br)c3C#N)C2)nn1 1653506870 QBQRFIXXMYEOBT-UHFFFAOYSA-N 404.224 1.577 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@H](CS(C)(=O)=O)C1 1654940349 LOLPCFFMTCUMGH-GJZGRUSLSA-N 411.549 1.622 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)CC(=O)OC(C)(C)C 1654984728 RZCGOANNTQFFRU-UHFFFAOYSA-N 412.494 1.803 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1668169193 JRSZFKYZHDYQHC-RELWKKBWSA-N 418.519 1.882 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 1671556898 FBGILLSDUAYIJI-DLBZAZTESA-N 400.541 1.985 30 10 HDEE C=CC(C)(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1675544204 MIDMCKLEYVRBCF-UHFFFAOYSA-N 409.556 1.435 30 10 HDEE Cc1ccc(-c2nc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)co2)cc1 1675932710 KORZJBOEHRWJDD-KXBFYZLASA-N 400.460 1.730 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 1677459363 SHPLKDGWAJTQGQ-HXUWFJFHSA-N 400.523 1.294 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 1684082752 HFUOJAAZSQYAPO-RTBURBONSA-N 419.570 1.421 30 10 HDEE CSc1ccc(CNC(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)cc1C#N 1685181224 WBRKFKZXXYSXPL-UHFFFAOYSA-N 408.491 1.998 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689916790 WYJNUCVYOZLFNY-SFHVURJKSA-N 417.535 1.885 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1689965956 HPYWBURFOYWQBG-HUUCEWRRSA-N 406.483 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC1 1690009111 WAYAYYAZDANSKY-UHFFFAOYSA-N 401.478 1.089 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nncn1CC 1690040665 KRPVJOPINOSASY-UHFFFAOYSA-N 403.446 1.796 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1690063892 SOBHWCHCODZVCK-INIZCTEOSA-N 416.478 1.846 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)c1c(C)noc1C 1690092800 WOXABDSNSGSPRT-AWEZNQCLSA-N 402.499 1.911 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nncn2CC)CC1 1690132620 UBRVIRWDXCNROT-UHFFFAOYSA-N 420.521 1.580 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690508186 CURHFNVZUVBFTL-QZTJIDSGSA-N 407.515 1.106 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1690609125 DTHBTBLGPDWGOX-KRWDZBQOSA-N 421.523 1.774 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1693709554 FXKLRAHFNOBELW-HNNXBMFYSA-N 415.519 1.603 30 10 HDEE CCn1cc(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1695773167 CSXWPNWBHLOPBT-ZPHPHTNESA-N 412.498 1.781 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1696808032 WUUCHHUGTQVASK-HXUWFJFHSA-N 417.535 1.849 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705560426 GUGCJSDTEKOAFK-WMLDXEAASA-N 406.483 1.820 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CC 1705593365 PCYAWBGOUROSHW-OAQYLSRUSA-N 404.478 1.545 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1C 1705622591 MUQMHOFRHNCTIQ-OAQYLSRUSA-N 416.526 1.495 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1705627594 LINQMCKQMUVQGJ-OAHLLOKOSA-N 418.885 1.443 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1705627631 MIHOEZSDBBLNMS-HZPDHXFCSA-N 411.462 1.155 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1705663202 ZIHIKNAPODASMO-KRWDZBQOSA-N 407.503 1.612 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cncn2)C1 1705664276 LXZDSIGCIWYNTC-MRXNPFEDSA-N 414.539 1.200 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705738970 QJQVEVHNPOVHRW-UHFFFAOYSA-N 422.537 1.917 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1705809833 DUKUMGPIFFTLPP-UHFFFAOYSA-N 408.457 1.973 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705810908 LCYSFSGAQILYBV-RVKKMQEKSA-N 413.544 1.239 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCN(C)C2)C1 1705926503 FLJNZEOBQWAXDV-OFNKIYASSA-N 411.550 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCC1CCOCC1 1705936354 PKJSPIXZBDACLA-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1709203336 DLGHBAKQFUUOHU-KMMVWKSPSA-N 422.493 1.886 30 10 HDEE CSc1cccc(F)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1712770583 GKOQVUZZVIQEGR-WFASDCNBSA-N 416.482 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1722297258 YSAHDWNYFBXPGN-HRCADAONSA-N 408.524 1.181 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722333546 XBYWEIAJPWKVQL-HZPDHXFCSA-N 418.523 1.669 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)c(OC)c2)CC1 1722430161 ZIODUPUOQLPKPR-UHFFFAOYSA-N 422.533 1.635 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)CC1 1722439937 VPHFKYQXLLOMRO-UHFFFAOYSA-N 421.530 1.228 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2C[C@@H]2C)CC1 1722440495 HYWHOHIMITXKIS-DOTOQJQBSA-N 414.554 1.818 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC)CC1 1722481623 FRTNAMXKNQMNIQ-UHFFFAOYSA-N 406.288 1.606 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1722535150 AGVXTKMTNOSONV-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1722602011 ZLKNCYPWSITYKP-HNNXBMFYSA-N 424.571 1.351 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1722630615 LFDCJCQEIPPJGC-UHFFFAOYSA-N 400.483 1.564 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1722631769 WIFQGBYQTKQXLI-JKSUJKDBSA-N 418.567 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722693878 CTKSFCDTCGMJDU-QFBILLFUSA-N 405.506 1.792 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722702136 FLCQIKAREQUMGQ-PNBKFKSVSA-N 405.499 1.060 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1722705621 FLVBQODQYMMQAU-UHFFFAOYSA-N 424.505 1.279 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722726245 ZTECHNAXSAAMOH-QFBILLFUSA-N 412.556 1.777 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CC=CCC1 1723940004 ALCBMULMQWRSIE-LPHOPBHVSA-N 421.571 1.280 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCn1cc(C)cn1 1729699136 HJVQSMDHXZLIFG-UHFFFAOYSA-N 406.494 1.984 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729830816 QBZAYQLADNWLDQ-QRWLVFNGSA-N 415.519 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555105 ARFMEKAJVLNRRZ-XJKSGUPXSA-N 422.580 1.516 30 10 HDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1740595127 MQNHPUUNNKCTHH-IBGZPJMESA-N 411.506 1.839 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1cnnn1C 1740687921 IRBSVSNVTYALMM-UHFFFAOYSA-N 404.478 1.544 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1740720211 SEVNJOWNMDQPNK-SFHVURJKSA-N 415.567 1.027 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2cnnn2C)CC1 1740819754 CMDXCBVBOBFKCS-UHFFFAOYSA-N 413.507 1.682 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1741518001 SXLHUUHQVRAWHW-HZPDHXFCSA-N 422.555 1.225 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1741636137 CKEIBOZKQIZREO-YCRPNKLZSA-N 412.494 1.464 30 10 HDEE CC[C@@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743461308 BRGUREHJBUSGOT-JOCHJYFZSA-N 419.489 1.960 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1748784470 NKDBOYHSYVWVIQ-QFIPXVFZSA-N 424.505 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCN1CC 1748824893 LXLZNTMZMYNQEV-GOSISDBHSA-N 405.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCOC 1748888052 MWFSYROMGVXNSO-IBGZPJMESA-N 421.501 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCCCC2)C1 1749734539 KFYIHFSAKAQZKH-ROUUACIJSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749736885 RKFORAMVVRNZRP-CALCHBBNSA-N 422.482 1.170 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1751984275 YLRYFYRLAVBMJV-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1760096072 FDNGXVQZAUUGSQ-CQSZACIVSA-N 413.482 1.908 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCC 1760193433 ZMRRJVCZMKMYGO-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCCO[C@H](C)C1 1760208754 IVMFRQONXWGMQX-LJQANCHMSA-N 414.554 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC1CC1 1760215181 QSVLBMQPVAIQJV-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1760259595 NXZBVBHXAHTEPS-IBGZPJMESA-N 400.571 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@](C)(O)C2CC2)CC1 1760266647 HMLOLPCJLPRUSM-JOCHJYFZSA-N 411.506 1.973 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760515682 FTTOWGDHHRLMGR-WBVHZDCISA-N 401.515 1.888 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC1 1762301639 DYCFVXKGKWWGGA-KRWDZBQOSA-N 403.531 1.411 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(N(C)C)CCSC1 1762606485 HAZSDQMLPNCUGR-HXUWFJFHSA-N 412.567 1.617 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1764765137 HXMIPYNODTYTLY-QAPCUYQASA-N 416.551 1.780 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)C[C@@H]1C 1767943376 CJHYJEISEOCUGS-HNNXBMFYSA-N 420.477 1.875 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1snnc1C 1770460306 FHUKTBHVISQKHA-HNNXBMFYSA-N 411.491 1.815 30 10 HDEE COC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1770776856 PZLLWMDPXHSARU-QZTJIDSGSA-N 416.551 1.768 30 10 HDEE COCCN(C)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1771085191 WBULTSZLSJCUII-VQTJNVASSA-N 424.521 1.339 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCS(C)(=O)=O 1771292689 SSKCKRGSEDMTSE-GJZGRUSLSA-N 411.528 1.177 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCC(=O)N3)n1CC(F)(F)F)C2 1771531958 KFMXLMZQKSICPG-GFCCVEGCSA-N 407.356 1.326 30 10 HDEE C[C@@H](C(=O)N1CCC(COc2cccc(C#N)n2)CC1)n1nnc2ccccc2c1=O 1849829543 DKWDHINSYUPZSL-HNNXBMFYSA-N 418.457 1.937 30 10 HDEE COc1cccc(CN2C[C@@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)c1 1850793624 BSBPBOGWBTXZMF-AWEZNQCLSA-N 413.455 1.309 30 10 HDEE C[C@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)N(C)C(=O)OC(C)(C)C 1851845506 JHHOIIGYVVANEZ-MRXNPFEDSA-N 417.510 1.874 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCCc4nc(OC)c(C)cc43)C2=O)CC1=O 1853689470 JJOAVNONBWIXIB-DOTOQJQBSA-N 412.490 1.313 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3nccc(Cl)c3F)C(=O)C2)cc1 1853845223 QSGHFBMAVIOACQ-UHFFFAOYSA-N 400.797 1.913 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1C#N 1854028678 IHCPNHYLJUMCSJ-UHFFFAOYSA-N 419.409 1.818 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1=O 1854242633 QUXOUYWITLEVSF-KRWDZBQOSA-N 404.417 1.400 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(C)CCOc3ccccc3OC)C2=O)CC1=O 1854532471 LCSMSZUWOGEWGG-IAGOWNOFSA-N 415.490 1.168 30 10 HDEE COc1ccc([C@@H]2CN([C@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)CCO2)cc1 1854717796 NOENTLJNNAVECT-PMACEKPBSA-N 406.442 1.776 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)c3nnn(-c4nccs4)c3C)C2)CC1 1855041796 NSIYUHXZJUOORA-OAHLLOKOSA-N 400.508 1.919 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C1 1855312278 PASIWKKZCXNUEZ-IAGOWNOFSA-N 409.490 1.792 30 10 HDEE CN1C[C@H](C(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)CC1=O 1855453014 SPMWGMDRBYAPLA-VQIMIIECSA-N 410.474 1.007 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)cc1 1855724397 DSPUUKPFJVIKPB-QGZVFWFLSA-N 405.520 1.770 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(COc4ccccc4)C3)CC2=O)CC1=O 1855793261 ULRXCSWECAZBAE-HKUYNNGSSA-N 411.502 1.407 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C(=O)[C@H]1C 1856289297 QUJMZSSPIKTMBK-HZPDHXFCSA-N 408.462 1.057 30 10 HDEE Cc1cccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856653617 YWDWFUHJNOCDIX-KRWDZBQOSA-N 405.476 1.450 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ncoc2C2CCC2)C1=O 1856756565 ODOOLLUEETVIML-CVEARBPZSA-N 400.479 1.792 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1857032722 JAANHUZXPPDQNR-KGLIPLIRSA-N 417.428 1.192 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)CC4CC4)C3)CC2)CC1 1857127748 WYQYUSJFLXARGF-SFHVURJKSA-N 400.523 1.636 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C2=O)CC1 1857197687 UBPCVZYKVLBHDS-GOSISDBHSA-N 414.485 1.585 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@@H](C)C1=O 1857206822 HJVGANXRSJXKME-GJZGRUSLSA-N 422.503 1.808 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1857225220 ZRPQEQGPQRKHEV-DLBZAZTESA-N 416.547 1.943 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(=O)O)cc1 1862597015 KVDJHFBYMMVUMX-GOSISDBHSA-N 424.409 1.805 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862739438 YHRUGWJRDCBQHG-INIZCTEOSA-N 412.354 1.864 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2CC 1865224539 PAKCEIHDGBYFCB-SFHVURJKSA-N 412.490 1.922 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCOCCO 1870334442 GRMKFKLVVGRIME-UHFFFAOYSA-N 408.495 1.363 30 10 HDEE C=CCN=c1nc(N2CCC(C)CC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632929 SCJOUXABIDGZTQ-UHFFFAOYSA-N 407.478 1.519 30 10 HDEE C=CC1(O)CN(S(=O)(=O)c2c(N)cc(Br)cc2Br)C1 1881934410 FPRGFWWMCSOVJW-UHFFFAOYSA-N 412.103 1.715 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Cl)cn3)CC2)CC1 1889240875 UMXUAVBRHFTGFQ-UHFFFAOYSA-N 404.942 1.997 30 10 HDEE CN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)c1cccc(C#N)c1 1890222385 HWNKWYXGJJSSEX-UHFFFAOYSA-N 409.475 1.383 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025894693 CFMWIYASPDAEAY-CQSZACIVSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CC1(C)C 2174779088 FKOWAOWUYYMLQQ-HNNXBMFYSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC1CC1)S(=O)(=O)CC1(C#N)CCOCC1 2174785322 XRTQCCJTSXLMBT-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(C#N)ccc1Cl 2187583803 MZHGTWHEDAHYQQ-OLZOCXBDSA-N 415.899 1.860 30 10 HDEE C[C@@H](NC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2203126429 PGYLOMYBUMKHKI-NSHDSACASA-N 402.347 1.579 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217439346 IIWBAMGTWUITSA-HOTGVXAUSA-N 419.331 1.845 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2221672943 IIWPLIFIZMTQJC-GJZGRUSLSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2248036855 AKUZQCJXIGADIC-IRXDYDNUSA-N 419.331 1.960 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255832903 UADOLOIURJKGGC-QFBILLFUSA-N 424.354 1.970 30 10 HDEE C#CC1CC(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2266563338 XZTLIJARGVJSPA-UHFFFAOYSA-N 418.471 1.095 30 10 HDEE CNC(C)(C)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267360007 QZSINJDUEAUPFG-UHFFFAOYSA-N 408.782 1.977 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCS[C@H](CO)C2)OC1(C)C 2267464073 FOSDHMAWJLCGCR-NSHDSACASA-N 405.372 1.146 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@@H](C2OCCO2)C1 2281809397 VHMCGDXJTAYFJO-CQSZACIVSA-N 403.284 1.829 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282026509 ZNNPGYHEBXVCSV-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@H]4CC[C@@H]43)cc2Cl)OC1(C)C 2282313653 NZFRQBZLSPGHSN-RYUDHWBXSA-N 418.777 1.826 30 10 HDEE CC(C)N1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282330934 HKSSDOWUXUMQNW-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CSCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282331878 SSXUTXMWYILGMB-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@H](CN)C2)OC1(C)C 2282491277 KINJZYULTQAVGH-STQMWFEESA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@H](F)C[C@@H]2CN)OC1(C)C 2282506701 WJLQTKQDBONWRQ-CHWSQXEVSA-N 404.338 1.248 30 10 HDEE CCN1CC(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282509798 PJVHXAJHFUKBAO-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282828596 REAZRMSCMPAFKJ-RUZDIDTESA-N 402.347 1.557 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828871 WKNBSWFYPILSGC-RUZDIDTESA-N 421.777 1.686 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](F)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282836185 GYADHDUAWIZGPW-GFCCVEGCSA-N 404.338 1.192 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282837533 FNPYCRIWLFMISH-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@]2(C#N)CCSC2)OC1(C)C 2282844601 GMJQQNMFLNLOQY-MRXNPFEDSA-N 414.383 1.866 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCC[C@H](O)C3)c2)OC1(C)C 2282852463 PKMIBQUWDMMLMV-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCC[C@H]2O)OC1(C)C 2282866644 MVWAUXKKLWXPGL-GXTWGEPZSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H](CN)C3CC3)ccc2Cl)OC1(C)C 2282871049 AUXWCLHRFFAHCK-HNNXBMFYSA-N 400.737 1.655 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1O 2282877374 QNXPEFAGORDHOT-JYAVWHMHSA-N 401.359 1.685 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406113 UHQNJYWNBWAQCE-GXFFZTMASA-N 403.331 1.825 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2329045504 PXDQFKZBKPJRMH-CQSZACIVSA-N 419.507 1.770 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(F)c1 2330710816 OSTAAWLEUQKWFG-UHFFFAOYSA-N 406.487 1.896 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351705737 YMHXLDTXIHQBPV-AWEZNQCLSA-N 402.582 1.898 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@H]1CC[C@@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2361580499 HDONTOFRZFFJRM-UONOGXRCSA-N 407.363 1.401 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2365212192 PLEJDZQQPMQXAF-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@@H]([C@H](N)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367791905 ZZMJUVGNXGCROB-SBUZTJRASA-N 404.479 1.833 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(NC(=O)OC(C)(C)C)C1 2367823908 JOXBDMHRJINDAH-XAUUPUKJSA-N 400.541 1.353 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 2367833550 KKDQVGYEBBUSOO-RKVPGOIHSA-N 402.557 1.599 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1C[C@H](C)S(=O)(=O)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2380744645 LCEJFYMGDHKHBD-BTTYYORXSA-N 407.363 1.448 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(I)c2)CC1 113424829 JOHKGPOTJCXTDF-UHFFFAOYSA-N 419.288 1.413 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)C1CCOCC1 404810919 GJHYNIQSPASUNB-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427119329 IATBFQHGEHNONN-UHFFFAOYSA-N 406.489 1.869 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)CN(CC(N)=O)CC4)cc2C1=O 433969891 BXHJMIOXAUJKPD-UHFFFAOYSA-N 418.453 1.564 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(OC)c1 442820987 CSSFYIVRKNDNGH-UHFFFAOYSA-N 413.415 1.735 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 467297230 FDUVYFSNEFTMSG-ZDUSSCGKSA-N 404.286 1.086 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@H](C)OC)nnc12 470216077 ZWUOJHACZBVKRW-STQMWFEESA-N 401.492 1.862 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 474835746 BKGXJKNTSKTNFS-HZPDHXFCSA-N 415.494 1.236 30 10 HDEE CCN(CC#N)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 492147565 FVHQJIGAYGCUOX-CQSZACIVSA-N 400.298 1.974 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500604638 RBQCCKZQIGQUHV-MRXNPFEDSA-N 420.517 1.354 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)CC1 503644809 UFUWSQFDEOAADI-INIZCTEOSA-N 402.882 1.777 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 508913517 OXBPTNCUKHCNIU-OAQYLSRUSA-N 422.493 1.881 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 508946769 UWUGKNUVYAIYMT-UHFFFAOYSA-N 412.498 1.215 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2)c1=O 523089459 BTKCEJTZTVHJNS-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CNC(=O)C2)CC1 537291856 YBSMAYQHQDKMBM-FGTMMUONSA-N 415.563 1.448 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(C)c1 548041688 LKIKWRKUEZLYIH-UHFFFAOYSA-N 405.436 1.014 30 10 HDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 552748816 JNKJFTYYUBDHDZ-XVAXZDLZSA-N 411.550 1.460 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)CC1 558576499 CIYMXJJHWBLRLR-UHFFFAOYSA-N 416.551 1.778 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCOC2)CC1 559239292 DCZARRCLJNAAGE-QGZVFWFLSA-N 414.510 1.307 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 560610052 PJBIVOIVRDGJIF-UHFFFAOYSA-N 409.483 1.239 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](C)S1(=O)=O 571605873 YBRMJQKHKODESV-TXEJJXNPSA-N 407.883 2.437 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(F)c1 586862298 RFLNECSJHAANDA-UHFFFAOYSA-N 409.396 1.673 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC(CN3CCOCC3)C2)c1 590589394 XJZNPVXEKSHXBD-UHFFFAOYSA-N 400.298 1.273 30 10 HDEE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732647630 HHBFTOBGGJIZEM-OPAMFIHVSA-N 407.474 1.184 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(=O)n(C)c1=O 733254524 XSTLANYJDWGODV-BMWLXYDHSA-N 403.236 1.241 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C(F)(F)F 737305367 HKRHXGVHJGLVMO-CCEZHUSRSA-N 410.352 1.595 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OCC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 742144066 RWAFPCUHJAQREC-INIZCTEOSA-N 417.437 1.759 30 10 HDEE C[C@H](OC(=O)[C@H]1CCCN1c1ccc(C#N)cc1)C(=O)NC(=O)NCC(F)(F)F 744947422 DANNGVADGIZDOB-SMDDNHRTSA-N 412.368 1.847 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cc(Br)c2c(c1)OCO2 746163539 BKMHZXQCFKALCV-ICFOKQHNSA-N 422.235 1.711 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 746327344 GKCMMXYBDPPUTO-WYPICGDSSA-N 408.458 1.176 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C(C)(C)C1 746611136 DTHJMLUEJTYVOJ-WUKNDPDISA-N 406.483 1.761 30 10 HDEE NS(=O)(=O)c1cnn(CCC(=O)OCC#Cc2ccc(C(F)(F)F)cc2)c1 750883356 GVINDVBGOVLTBG-UHFFFAOYSA-N 401.366 1.534 30 10 HDEE CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 757312988 QLYRITBXTCSCEW-KSKAUBAUSA-N 407.517 1.929 30 10 HDEE C[C@H](COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)CS(C)(=O)=O 757973261 SPDZFZSYPMJLMO-MRVPVSSYSA-N 412.411 1.994 30 10 HDEE C[C@@H]1Oc2ccccc2N(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1=O 760400992 HGNIIYBYRISLCI-AWEZNQCLSA-N 405.476 1.721 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 760992736 CEVPYCPRRLLQOH-UHFFFAOYSA-N 400.483 1.794 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1 763610233 GTCQZWKTASDTMS-HNNXBMFYSA-N 424.482 1.127 30 10 HDEE C=CCn1c(COc2ccccc2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 764991539 BGGXNJKXAIFHFC-HNNXBMFYSA-N 423.564 1.760 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1noc(C2CC2)n1 765262831 ZITRUCYORYCYMH-AWEZNQCLSA-N 417.491 1.717 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cncc3ccccc23)c1=O 772897582 JDUWOTQQTUXQLI-UHFFFAOYSA-N 418.522 1.919 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 774252136 RODQAQMHKNNTFS-RTBURBONSA-N 420.531 1.885 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)c1 783453225 NAHQFEHMCKTFEY-UHFFFAOYSA-N 420.469 1.540 30 10 HDEE C[C@@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(-n2cccn2)cc1 787787070 GSXFCRNZTXDQBX-OAHLLOKOSA-N 403.446 1.544 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)n1 788331111 LGLIZPXDTFBFLQ-HXUWFJFHSA-N 412.465 1.474 30 10 HDEE C=CCN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(Br)nn1C 789970481 PPOLZCGWYCGECD-UHFFFAOYSA-N 407.301 1.810 30 10 HDEE C[C@H](CC(=O)NC1CC(N2CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 794207917 VENPJQQFJMNNFI-QQFBHYJXSA-N 404.536 1.637 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1=S 795650216 GFVQFOYKHPDXFN-OAHLLOKOSA-N 422.580 1.975 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2)n1 798508023 YDRCABGYGNMACT-NRFANRHFSA-N 424.501 1.805 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOC)CC1 802399844 MASJDHPUBLHEAA-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 802833642 QUYBVCNSHJBIFL-UHFFFAOYSA-N 415.446 1.735 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 803698418 POWYPWIRRSXJHE-SFHVURJKSA-N 403.431 1.675 30 10 HDEE Nc1nc(Cl)cc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 807981177 IIHRUCFJCXYWKN-UHFFFAOYSA-N 405.665 1.568 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 813720575 VITABQZJHRHSDZ-PVAVHDDUSA-N 401.467 1.983 30 10 HDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(NN=Cc3cccc(O)c3)n2)o1 1083910210 GAVWFPNSAATJKS-UHFFFAOYSA-N 416.467 1.652 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)o1 1084366829 FNGFGPKXCAQHBC-UHFFFAOYSA-N 402.440 1.310 30 10 HDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1130225317 CTJWQMSFWIADKN-ICSRJNTNSA-N 402.454 1.611 30 10 HDEE C=CCN(C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1130889900 DPHYKGPWCWTJOG-INIZCTEOSA-N 410.536 1.933 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1133977746 CBQNXGUQLIUQBS-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 1135889428 HVUCHAJXKRWFSU-QHCPKHFHSA-N 403.486 1.693 30 10 HDEE N#Cc1ccc(OCC(=O)NCCC(=O)N=c2cc[nH]cc2)cc1Br 1143606836 GENFTCPHUOMENG-UHFFFAOYSA-N 403.236 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCC2(CS(C)(=O)=O)CC2)cc1 1147146716 LLUGJWKIAKVZNZ-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE CNS(=O)(=O)c1ccc(Cn2cc(C#N)c(I)n2)cc1 1166399318 BNJQDAYFHCGCQX-UHFFFAOYSA-N 402.217 1.316 30 10 HDEE CC(C)(C)N1C[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1167408902 ALMSLRDFPXOIPL-CQSZACIVSA-N 420.535 1.269 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2nnc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)CC1 1170614003 GAOQDTQSZDHVDW-UHFFFAOYSA-N 418.841 1.165 30 10 HDEE COc1cc(C#N)ccc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1177565094 DGDCCBPXLHRVKQ-HXUWFJFHSA-N 406.486 1.682 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cn1 1178460595 NDSDMDZJUCWVKX-MRXNPFEDSA-N 414.491 1.315 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1=O 1189700998 AKXCYIGOUFLSRL-OAHLLOKOSA-N 401.529 1.004 30 10 HDEE C=CCN(C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1207606203 NXFQUOAROXVXPP-OAHLLOKOSA-N 416.521 1.317 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)C1 1213680297 NZLCCHADCJHRGX-AWEZNQCLSA-N 413.927 1.426 30 10 HDEE C=CCc1cc(CNC(=O)NCCn2cc(C(=O)OC)nn2)cc(OC)c1OC 1221552122 GOKAVJKEUPRYAQ-UHFFFAOYSA-N 403.439 1.310 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1228691026 JESUUPUUGPAQMC-MOPGFXCFSA-N 421.519 1.639 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1248553277 RILWLGWKVBUYOL-SFHVURJKSA-N 415.490 1.365 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3c(F)cc(O)cc3F)CC2)c1C#N 1251236817 VXECTDZOIYHXQO-UHFFFAOYSA-N 404.421 1.658 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286384060 GUJMWHDLIMLJMG-MRXNPFEDSA-N 418.567 1.601 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286390690 DXUVHONCBXLGDC-MRXNPFEDSA-N 419.576 1.947 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286391554 DWPOEOLAGYGPOE-HZPDHXFCSA-N 419.507 1.062 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1286481080 RXFXFOHFPXHQAK-FHWLQOOXSA-N 403.527 1.326 30 10 HDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1286509361 ZKWAMLAEQHWCHD-UHFFFAOYSA-N 413.547 1.765 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286645629 FGTUVVXLMNRQNW-MOPGFXCFSA-N 416.570 1.881 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286774465 PNCCKJPYRSXNBD-MRXNPFEDSA-N 422.511 1.346 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C)CC1 1286785357 DLEHNCOEBVJFOT-AWEZNQCLSA-N 400.483 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CC(=O)NC(C)(C)C 1286816048 FAESHLDNNTUTAS-UHFFFAOYSA-N 419.551 1.897 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C1CCN(C)CC1 1289195290 IDTHZHNITZLUFB-QFIPXVFZSA-N 412.490 1.018 30 10 HDEE N#Cc1csc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 1289333740 QZZVFNXIZGNTIG-UHFFFAOYSA-N 410.452 1.105 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)CC1CC1 1290865070 KCCUSSXASRZLKW-UHFFFAOYSA-N 415.523 1.005 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(OCCOC)CCOCC1 1297156583 DBLPIKQKVSBESM-GOSISDBHSA-N 411.478 1.469 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(c2ccncc2)CC1 1297308630 BJSVTWBYOIZWRI-IBGZPJMESA-N 411.510 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1300271103 GVFWQEJHJMVTJV-ULQDDVLXSA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300432631 MPCRDHWWVPEVMC-IIBYNOLFSA-N 410.478 1.723 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1300455423 IVNGDRCICKFWGL-JOCHJYFZSA-N 422.489 1.457 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2c(C)noc2C)CC1 1300705843 DCCGSNRIXIVERH-UHFFFAOYSA-N 422.537 1.742 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1300883937 GGRMARDUXKGUEF-CVYDXHPNSA-N 416.526 1.173 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1 1301187392 CWEUHGHOHLKKJA-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1)C1CC1 1301327261 PBZIOOQGHITMEZ-SJORKVTESA-N 403.527 1.822 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C1CC1 1301498761 UBNJXBREDOJGGU-QGZVFWFLSA-N 412.469 1.840 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCCOC)C1 1301499784 GACDKNSPTRKALG-IAGOWNOFSA-N 407.515 1.106 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)[C@@H](C(C)C)C1 1302601108 UEXUQUWDYJAOPD-ZWKOTPCHSA-N 420.579 1.938 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)c1 1304633964 ZKACRHPEWIAAHE-FQEVSTJZSA-N 401.488 1.653 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1306043956 BFQIXNRHYRJZOY-LXZKKBNFSA-N 405.476 1.353 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCO[C@]3(CCS(=O)(=O)C3)C2)c1C 1307874574 QQNAVEWRVJUPFO-HXUWFJFHSA-N 405.520 1.440 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](N3CCOC3=O)C2)cc1 1310131925 WFBAPYDNIXTHPW-HNNXBMFYSA-N 408.480 1.552 30 10 HDEE CN(Cc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1314758717 YUDZSJCWDNVWQV-ZDUSSCGKSA-N 401.448 1.923 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 1314853194 YEYOTHXMBMKNDN-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1315158114 GIBGPMXPJMGYLL-QFBILLFUSA-N 424.505 1.679 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCOC2)C1 1316532638 RYHIHGSVGHLERN-OALUTQOASA-N 407.396 1.740 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1358875347 NZGIMNDZTWEUDE-KKSFZXQISA-N 403.527 1.647 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358935203 ARSQBGXORHXSAU-GOSISDBHSA-N 402.543 1.361 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358947183 UTFFBJMGKSTSGR-HUUCEWRRSA-N 404.515 1.802 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Br 1358984604 BRYUWOXXRJHNID-ZDUSSCGKSA-N 414.329 1.260 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H](C)C1 1358994500 OTDBDIQCRXJALZ-KZNAEPCWSA-N 404.536 1.458 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccncc2Cl)CC1 1359028182 JUBCFCHRLLMNEG-UHFFFAOYSA-N 413.913 1.366 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN2CCc3sccc3C2)CC1 1359042105 RMOBVYNFMOOBQL-UHFFFAOYSA-N 412.563 1.672 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1359121866 LWUVGSXXXFDWNP-UONOGXRCSA-N 419.498 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359297675 YFHNJLRXCUPWTG-MRXNPFEDSA-N 413.526 1.279 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](n2cncn2)C1 1359302157 YBSDZFDWDXESOH-QGZVFWFLSA-N 424.484 1.743 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CC1 1359384716 GQJJRAZJFAAKKG-UHFFFAOYSA-N 407.522 1.970 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452499032 NFPKLPZCLROWFG-INIZCTEOSA-N 414.487 1.565 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCCOc1cccc(C#N)c1 1453596497 NQLJRCYMLVFVRD-QFIPXVFZSA-N 401.507 1.839 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1456292967 PAHAXHVAYZEQCN-AWEZNQCLSA-N 410.467 1.364 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1 1459928258 GEHDBTVMEZFNPZ-VBKZILBWSA-N 403.435 1.253 30 10 HDEE C=CCN(Cc1cccs1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1463918214 VDJNPWIZHQNQQT-UHFFFAOYSA-N 413.503 1.997 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCCNc2ccc(C#N)cn2)C1 1464041510 HUTUJGJQOOVEGF-HRAATJIYSA-N 415.494 1.755 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc2c(cc1Br)OCO2 1464924975 LJRHQCUFONIZEI-JQIJEIRASA-N 408.208 1.434 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)C(F)(F)c2ccccc2C#N)c1 1465304417 KMHGPGAUXFDVNI-UHFFFAOYSA-N 423.441 1.891 30 10 HDEE C=C[C@@H](O)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1467498188 UPWAOTDGKGURCT-LSDHHAIUSA-N 400.260 1.919 30 10 HDEE C[C@H](NC(=O)NCCOCCS(N)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1469757060 SQBZXUCNSHEPJL-HNNXBMFYSA-N 416.503 1.891 30 10 HDEE N#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(F)(F)F 1471959665 FNUXMKPZEXFWQC-LLVKDONJSA-N 411.427 1.468 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)Cc2ccccc2)c1 1472255667 LMDMOFLGYZZLNN-GOSISDBHSA-N 414.483 1.502 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1 1475848252 MXQWMLUPAZJFHR-UHFFFAOYSA-N 407.492 1.518 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCCCCNC(=O)CC3)C2=O)cc1 1478569044 TXKHQGHGWAXOJX-IBGZPJMESA-N 411.506 1.751 30 10 HDEE Cc1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1492789933 NTSNPQUQRAGPHY-MSOLQXFVSA-N 406.556 1.921 30 10 HDEE C[C@@H]1C[C@H](CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCO1 1493294980 GTZPESNMRGKKMW-ZACQAIPSSA-N 402.499 1.334 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1503117045 GWXIVRPBUCLTEW-QGZVFWFLSA-N 416.457 1.041 30 10 HDEE CNc1cc(N2CCC[C@@H]2Cn2c(C(C)C)nnc2N2CCO[C@H](C#N)C2)ncn1 1503828963 DKCANHRUKMSHQD-HZPDHXFCSA-N 411.514 1.631 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](C)N(C)C)c1 1507550623 NJGLNKMCVYUWMX-WMZOPIPTSA-N 410.522 1.788 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1507611731 PQPGXTZUSSPKAC-UHFFFAOYSA-N 402.462 1.352 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507628206 HDKBPRZSXZYDHF-CABCVRRESA-N 405.549 1.718 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1507678152 DLUOQMISOIZHSL-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1507679188 SBFLQFRVFXMOBA-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCCCC1 1507703574 XDSMNVWLCBVMPD-UHFFFAOYSA-N 416.570 1.865 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC=CO2)CC1 1507732248 DLTWARHVAIHPJH-OTWHNJEPSA-N 401.511 1.450 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507832264 WWECKDNWLVENGW-LSDHHAIUSA-N 407.540 1.251 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507843153 ISINVDDEGTVBJR-UHFFFAOYSA-N 404.515 1.322 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1507870042 CAAAHITVHGFYIC-UHFFFAOYSA-N 423.949 1.737 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1507956883 HYHARYHBSGSZFB-KRWDZBQOSA-N 418.542 1.600 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1508079557 YSNVHMQWBYBAOC-UHFFFAOYSA-N 408.506 1.662 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1508085929 IPGYZJKMYSVBSI-MSOLQXFVSA-N 424.505 1.882 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1508111838 JQEQRJBJJISINT-INIZCTEOSA-N 417.535 1.946 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)cs1 1511507750 BAXBTKWGZIVDFY-ZDUSSCGKSA-N 403.512 1.089 30 10 HDEE COCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1519079814 DFDBUCTUMOPWJI-NQIIRXRSSA-N 418.542 1.532 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)c1 1526134423 VKRAQGTVGNBUAL-HXUWFJFHSA-N 421.453 1.760 30 10 HDEE C#CCN(C(=O)Cc1csc(COc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1528599699 CMOOSLPGRARKOI-INIZCTEOSA-N 404.513 1.914 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1530725074 PAEJINANVBZMLI-GJZGRUSLSA-N 404.463 1.610 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(CC#N)n1 1536665845 JILCXDGBSPFAJR-UHFFFAOYSA-N 400.460 1.729 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)N3Cc4cccc(C#N)c4C3)cnc21 1537887669 XAUUIEOARAHPKP-UHFFFAOYSA-N 413.235 1.307 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](F)COC)c1 1539043692 TUHGHTDYEYTOSR-SJORKVTESA-N 415.469 1.823 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539190142 AEIVCLVKSQZEPA-OAHLLOKOSA-N 404.515 1.631 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)cc1 1539258160 RSEIOPMAHQGYAY-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(N)=O)c1 1539311187 CDQZBOSTCPQETE-UHFFFAOYSA-N 416.485 1.659 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCN(C)C1 1539395230 AOZUAUDWMARPQG-REWPJTCUSA-N 411.550 1.973 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@@](C)=O)CC2)CC1 1539436403 RATMJZZVLXQFMU-GDLZYMKVSA-N 413.547 1.620 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1540676668 IZTQWAALHMNYRJ-RTBURBONSA-N 419.522 1.664 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540868170 USOBJAIOSSDIEN-LSDHHAIUSA-N 401.398 1.501 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]2CCC[C@@H]21 1540907212 ORHZUMJDOMIUTQ-SJORKVTESA-N 421.567 1.770 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1543664347 NZVFQCIKKSOUTF-YLQAJVPDSA-N 415.837 1.902 30 10 HDEE CN(C)C(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1544295645 KQBWRFMDHJEKKB-SFHVURJKSA-N 400.479 1.987 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@@H](C)C#N 1554507285 JOWHVBSCYXNJJT-LBPRGKRZSA-N 412.466 1.292 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)Nc4ccccc4C3)C2=O)cc1 1557209626 QEJFUQSSIPPKBH-GOSISDBHSA-N 417.425 1.744 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](c3cnccn3)C2)CC1 1560177195 PDAGXQZPWAGDRD-WIYYLYMNSA-N 408.481 1.814 30 10 HDEE C=CCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1565183978 NTFFCHNCLFJDRO-UHFFFAOYSA-N 412.512 1.387 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCO[C@@H]3CCCCO3)C2=O)cc1 1569857521 ODRFHYUTDFMRAX-SJLPKXTDSA-N 400.435 1.423 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cc1ccc(Br)cc1C#N 1584443247 MMPRBCKMOOLYMJ-QGZVFWFLSA-N 421.339 1.922 30 10 HDEE CCOCCCNC(=O)C1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 1585216213 BPGIFMADLIYGOD-UHFFFAOYSA-N 406.508 1.776 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)CC1 1588261549 HZUBVQKRYUPCSC-UHFFFAOYSA-N 422.283 1.545 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1588459379 UNHMAFGWLDBBIZ-UFYCRDLUSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3ncccc3c2)CC1 1588732458 AXRHZWDFAPZSMX-UHFFFAOYSA-N 417.517 1.768 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(CC#C)CCOC 1589052972 BOUJBEWKSWZDMS-UHFFFAOYSA-N 401.492 1.458 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1 1589581205 QIKLOEABSLLIDA-CAMMJAKZSA-N 419.526 1.262 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1 1589581208 QIKLOEABSLLIDA-JFRXWTBNSA-N 419.526 1.262 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594744464 QXMOZULUGUJIRR-LJQANCHMSA-N 423.521 1.997 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595545009 PKAGOSJQDLAJTM-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1596428355 FARUJBNNXXACAM-MCMMXHMISA-N 423.473 1.980 30 10 HDEE C[C@H](C(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1)n1cnc(C#N)n1 1606837055 MNHGBZYQVWKOQA-SSDOTTSWSA-N 418.177 1.731 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611165056 KUILYOAYRWOQIL-NKFCBESUSA-N 418.441 1.563 30 10 HDEE C[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)COCCO1 1611800766 JKNKSQOGIROXHL-HXUWFJFHSA-N 402.499 1.450 30 10 HDEE CCOC(=O)c1c(C)oc2ncn(CC#CCN3C(=O)c4ccccc4C3=O)c(=O)c12 1613388690 FLMGSYWZCIFLCC-UHFFFAOYSA-N 419.393 1.774 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc(F)c(C#N)c(F)c3)cn2)CC1 1616667450 AUEZQEPTJOZVQE-UHFFFAOYSA-N 421.429 1.565 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nnc(S)o1 1617080720 UDXRNVHPYQHSSI-GFCCVEGCSA-N 423.520 1.170 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1Cc2ccccc2C1=O 1618171772 LVOALMBNIVAVJY-XAUMDUMWSA-N 401.488 1.064 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 1623700575 FTJGUFABKWISQZ-KGLIPLIRSA-N 423.963 1.905 30 10 HDEE C=CC1(CC(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1625081812 QKJHTMIXFJWNAK-HYDGNGQDSA-N 422.551 1.865 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1625179145 KQQDSNIGYRLTGH-NRFANRHFSA-N 401.463 1.485 30 10 HDEE N#CCCn1cc(C(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 1625731013 NHJRQOWJBUOVGZ-HFTRVMKXSA-N 411.418 1.906 30 10 HDEE N#Cc1cn(CCC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)c(=O)nc1O 1630449884 GEVWTTVFGOWALB-UHFFFAOYSA-N 423.260 1.261 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1630895453 CYATUBROBJNJPN-MJGOQNOKSA-N 420.391 1.413 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]12C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 1631920740 FHIGJPFWGOZAJY-MRRFBWAASA-N 402.499 1.948 30 10 HDEE CC(C)(C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)N1CCOCC1 1632252617 ANNJXLZUYNMTHE-UHFFFAOYSA-N 408.506 1.708 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)c1 1632268084 KGQGOHYULHJZOC-GBESFXJTSA-N 418.515 1.792 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@](F)(C(=O)OCC)C2)cc1 1632678290 IIIKUWIAKKYVHW-HXUWFJFHSA-N 422.478 1.496 30 10 HDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1633239343 KYLGBTAKSQGANU-PCYKQNFTSA-N 403.410 1.333 30 10 HDEE C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H](C)N1C(=O)OC(C)(C)C 1633631052 CGUAMYWRUCQBGO-CHWSQXEVSA-N 405.455 1.067 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1633731312 JLRSVKJPMGLDAX-DYVFJYSZSA-N 410.517 1.657 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC 1634251339 NDSDSJCVZQMHBL-CABCVRRESA-N 414.462 1.623 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)n(C)n1 1634820247 ZSOAMWLWPVQJQG-SFHVURJKSA-N 408.510 1.496 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3sccc3Br)C2)c(=O)nc1O 1634853146 KQFUCMWBAQXOBH-UHFFFAOYSA-N 410.253 1.411 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCn3ncc(I)c3C2)cc1 1635680470 SHSZTMJYWDKMPN-CQSZACIVSA-N 408.199 1.435 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N[C@H]1CCN(O)C1=O 1636352459 IJFAEOJTVIMFNK-GJZGRUSLSA-N 403.435 1.975 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1 1636756171 ODYPEHGNZFSLAG-UGNPLGLKSA-N 409.490 1.826 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(C)(C)C(=O)OC)CC3)n[nH]2)c1C 1639120694 ADBKTWJABHGOMH-UHFFFAOYSA-N 414.510 1.785 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 1640218019 BSDBZUVEDQFKTF-LJQANCHMSA-N 407.430 1.934 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1641288215 IYWBKALZCKOXIW-PBHICJAKSA-N 410.923 1.745 30 10 HDEE CN(C)[C@@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1641449257 RUWPTYOKINVABP-IAGOWNOFSA-N 404.536 1.494 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ccc(C#N)c(Cl)c1 1641580089 RIODLMZUSKYINH-IBGZPJMESA-N 409.870 1.940 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)ccnc12 1642606974 MHTOJODEOIATTL-OAQYLSRUSA-N 404.430 1.999 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OC 1642698491 WXWDRLHXSGFQSU-GFCCVEGCSA-N 405.270 1.334 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H](O)C(=O)OCc3ccccc3)C2)c(F)c1 1644392289 VDBOPLCDLVCLQE-PXNSSMCTSA-N 411.433 1.744 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)s1 1644588164 YLGCLUIGDPSBPP-KRWDZBQOSA-N 419.528 1.819 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1(c2ncc(Br)cn2)CCC1 1645159466 PXYRGRXQHGQFOS-PFONDFGASA-N 420.267 1.651 30 10 HDEE Cn1c(NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)c(C#N)c(=O)n(C)c1=O 1651495482 WAPPWASNNCUULP-UHFFFAOYSA-N 408.380 1.393 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2)nc1 1652331602 CAWMTVPXQPUBEX-RDBSUJKOSA-N 416.425 1.579 30 10 HDEE C[C@@](O)(CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1657749465 FGHMZRITOCCYHI-HXUWFJFHSA-N 403.479 1.911 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 1658676689 BRYLZEPGWNPOSK-CABCVRRESA-N 407.515 1.109 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1668777196 YBFZQSXVFGBXEH-QGZVFWFLSA-N 410.540 1.461 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2 1670882653 SCPSFRGZETVDFA-KSSFIOAISA-N 401.529 1.676 30 10 HDEE C=CCCS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1671939040 JGCCLWCJRXMMBO-CYBMUJFWSA-N 420.272 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)NCCC#N)CC[C@@H]32)CC1 1682123222 ZZTKGGAPACUIMD-CVEARBPZSA-N 420.514 1.477 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 1682673398 ZYEKXNNHLOCVGN-GFCCVEGCSA-N 405.256 1.812 30 10 HDEE CC(C)(CC#N)CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1682991583 ABJSWIKYDQKWTF-UHFFFAOYSA-N 408.480 1.070 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689964733 WATHVXMLBWSDTF-IBGZPJMESA-N 409.538 1.437 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1689965922 GXNBZTVMQTWHJG-KRWDZBQOSA-N 410.540 1.083 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1689987972 GRQPTVSLUXUWRO-OAHLLOKOSA-N 424.477 1.351 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2noc(CC)n2)CC1 1690144087 LLSDRPRCCNNQLO-UHFFFAOYSA-N 411.510 1.700 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCOCC2(C)C)CC1 1690144342 VQXBIBAAZNTXMX-UHFFFAOYSA-N 414.554 1.232 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1690680028 GXCWRRRLMSJIKJ-VGOFRKELSA-N 424.505 1.544 30 10 HDEE Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1693097440 SOTSPBPDQKYLRT-OXQOHEQNSA-N 400.458 1.670 30 10 HDEE COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1698026477 DMQFVNOPLIQXHP-HXUWFJFHSA-N 403.531 1.222 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1705495024 JSIPQOIECHCQQA-HZPDHXFCSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1705564006 JHPHHJCHBPWBAM-HOTGVXAUSA-N 419.576 1.806 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569426 HDYGLGNIRAKMOB-MOPGFXCFSA-N 421.611 1.834 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705569667 FPDCTSSKQHCMLN-GOSISDBHSA-N 401.536 1.741 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C2CC2)C1=O 1705571940 LYKRKXPNVHKSTI-QFIPXVFZSA-N 410.522 1.280 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1705582942 NDEOZTDRDDHSAW-IBGZPJMESA-N 417.579 1.519 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(O)cc2)CC1 1705632611 WGUZAMFHZCBGAP-UHFFFAOYSA-N 417.473 1.435 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@H]2CCOC2)CC1 1705639337 MATVBPLIMNFCAG-WOJBJXKFSA-N 417.554 1.718 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CCCC2)CC1 1705641856 WQWOXNVKMWDPBQ-UHFFFAOYSA-N 409.534 1.960 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)CC1 1705704960 BACAXXLEWHCCHE-HKUYNNGSSA-N 417.535 1.480 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705903609 YUWGJLIHZBMKEJ-MRXNPFEDSA-N 402.543 1.931 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705930318 KTOLTCGIIBVZCM-UKRRQHHQSA-N 424.527 1.662 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1709279092 RGIFOCKHSSRCKE-MQINBFPNSA-N 413.482 1.134 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722329891 LUAAFMWDQQUODW-UHFFFAOYSA-N 416.551 1.828 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722406572 RNUIGPVAWCAKNE-MRXNPFEDSA-N 417.535 1.695 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722446702 JCZKPULBIPBBTJ-ROUUACIJSA-N 421.567 1.446 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1722471393 FZRGMWBOUWSBPO-FDDCHVKYSA-N 420.517 1.971 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCNS(C)(=O)=O)CC1 1722563942 CYXFVDPCSGLSMA-SFHVURJKSA-N 413.544 1.024 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722598334 DJFQGXLPVREFPB-INIZCTEOSA-N 424.509 1.838 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722698516 GONRWTUGQHPLME-LSDHHAIUSA-N 401.471 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1722723721 CYQTXZXSZCPVKA-DOTOQJQBSA-N 411.572 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722725275 HYBXPFAGOKVLTA-IRXDYDNUSA-N 418.567 1.860 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1 1728519274 GWDVAVCGRCKQGP-FQEVSTJZSA-N 417.535 1.849 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS[C@@H](C)C1 1729220468 BQZLQBDQJVFMRH-AWEZNQCLSA-N 420.564 1.698 30 10 HDEE CO[C@@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1729836307 HJPBQSNESZXMSW-WMLDXEAASA-N 403.508 1.723 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1740601235 YGNMFXDYRMONMQ-UGKGYDQZSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1740615324 AXVWAQYNZZWBGE-GOSISDBHSA-N 416.547 1.743 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740628914 WKILAZQQWROIPV-SFHVURJKSA-N 423.583 1.317 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)N(C)CC)CC1 1740697165 UQQWJKAUOOIWPD-UHFFFAOYSA-N 416.476 1.381 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)CN(C)C2=O)CC1 1740706131 RNWWHLPSICKGNK-JOCHJYFZSA-N 414.554 1.311 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1740764298 CNOLQEUDVFUKGY-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1C 1740929600 ACPKPCOVPKPFOI-UHFFFAOYSA-N 417.477 1.547 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1740930803 PXCBEQLTNJQGEF-SFHVURJKSA-N 423.521 1.688 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2nc(C)no2)CC1 1740957380 LVCQYLBICAZTIV-UHFFFAOYSA-N 409.454 1.113 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740958058 HRUZPRPMNYYNFW-UHFFFAOYSA-N 412.494 1.793 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H]1c1nncn1C 1740960978 IERCXNXJDPKADJ-KRWDZBQOSA-N 424.484 1.780 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccn2C(F)F)n1 1742712376 CHGZMBUDJHKYCO-AWEZNQCLSA-N 417.424 1.508 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)O1 1744211130 HTXRYFLBFYUTJT-OAFZBRQQSA-N 423.539 1.257 30 10 HDEE CCN(CC)CCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C#N)C1 1746186472 NPTOJAHIZGHTDE-KRWDZBQOSA-N 402.499 1.934 30 10 HDEE CCOCc1nnc(N(C)CCN2CCOC(C)(C)C2)n1Cc1ccc(C#N)o1 1747060676 AQEVRSIXAFYZPB-UHFFFAOYSA-N 402.499 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1748667373 SFYLZAUATOMJOO-YJBOKZPZSA-N 408.506 1.875 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1748672426 UHOYLYOEMCCTKL-QGZVFWFLSA-N 424.553 1.682 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748818992 IEXAHMIYQGRAIY-DOTOQJQBSA-N 419.576 1.642 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccn(C)n1 1748876744 RSIIYKROGJPRMM-UHFFFAOYSA-N 412.461 1.166 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1748905770 JIPHMZLXVJBGKO-DLBZAZTESA-N 424.615 1.858 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1748906601 ALVTUZUIWSVABG-WIYYLYMNSA-N 405.543 1.499 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)cc1F 1748948874 ZNBOAWRDRCKCDS-UHFFFAOYSA-N 415.469 1.796 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2ccccc2F)CC1 1748990662 ZLYINISTWNSSKS-UHFFFAOYSA-N 412.513 1.801 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOCC1 1749005090 GCVCAWOUJMAZRI-KRWDZBQOSA-N 412.494 1.405 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2cnn(CC)c2)CC1 1749663644 LOHMLWXJTLQLQX-UHFFFAOYSA-N 421.509 1.638 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749669889 OWTBCWSTGAHSAU-FUHWJXTLSA-N 415.469 1.801 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1749731289 ARWPXDZFXBHLOI-VVLHAWIVSA-N 421.567 1.845 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1749755448 ZOMBPBZHDHXZKN-HNNXBMFYSA-N 406.556 1.630 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1750076134 KVINCCMAJVTRQI-OAGGEKHMSA-N 417.539 1.235 30 10 HDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CC1 1751247841 FDBGULNWFHLTHK-BTYIYWSLSA-N 410.478 1.201 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1760119453 ACYDVRJOUNUNJG-INIZCTEOSA-N 404.478 1.487 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1760168829 QQZBHTBWEJKVBZ-UHFFFAOYSA-N 405.549 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC[S@](=O)C(C)(C)C 1760193800 RAMCFNPPGGLXTB-NDEPHWFRSA-N 405.568 1.817 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sc(C)nc1C 1760195009 VDXZXOGSQQOFJX-ZDUSSCGKSA-N 406.537 1.083 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1760202227 WSDBKZPUPSSTNC-FQEVSTJZSA-N 413.485 1.595 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC(F)F)c1 1760248400 KNTQNWPRPXDLAH-AWEZNQCLSA-N 420.420 1.360 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nnc(C)s2)CC1 1760262672 WCBGRNIEFVBUPI-UHFFFAOYSA-N 411.510 1.971 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1760289237 NETDDZMWFMPZJA-SUMWQHHRSA-N 408.553 1.694 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760335672 PKXDLTJUFSPOSR-IXAFZWLNSA-N 416.526 1.173 30 10 HDEE C=CCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1760444824 RMURJSKUYZDENA-FQEVSTJZSA-N 405.499 1.975 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760452617 OUBVCUQTWSJZMC-KRWDZBQOSA-N 424.505 1.988 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1760462184 SRCCEFBHLAJLEN-UHFFFAOYSA-N 403.393 1.597 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1760488950 LAGHDNFOKBTJOP-CVEARBPZSA-N 419.555 1.841 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccccc2)C1 1760545456 UXUIHDAZWODESB-HMFYCAOWSA-N 411.506 1.918 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)C1 1768293821 OZYODOGHTKXYRN-UHFFFAOYSA-N 420.514 1.940 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1768699653 CBJBEQIKGOOFGA-UHFFFAOYSA-N 413.507 1.621 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)c1 1770347149 NOLRTHNNVKFLKT-GOSISDBHSA-N 422.445 1.592 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccnc1S(=O)(=O)C(F)(F)F 1772785142 QVWWJMQJWVIEKF-UHFFFAOYSA-N 400.290 1.743 30 10 HDEE C=C1C[C@@H]1COC(=O)CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 1849531431 KKVMZKXUMRLKCL-MRXNPFEDSA-N 401.438 1.831 30 10 HDEE CC(C)[C@H](C(=O)N(C(=S)N=CN(C)C)c1ccccc1)N1CCS(=O)(=O)CC1 1851347771 NDLPQAAEGNWNLI-QGZVFWFLSA-N 424.592 1.649 30 10 HDEE N#Cc1cccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)c1F 1851770582 AUVQANREZQZSBX-UHFFFAOYSA-N 417.462 1.861 30 10 HDEE C=CCOC(=O)[C@@H](CC(=O)N=c1ccnc(N2CCN(C)CC2)[nH]1)c1ccccc1 1852454612 CAEDAQLXNDUQDJ-SFHVURJKSA-N 409.490 1.492 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCN(Cc4cccnc4)CC3)C2=O)cc1 1854079131 YEQPHCOPYJIMDR-NRFANRHFSA-N 403.486 1.902 30 10 HDEE COCCn1c(C)cc(C(=O)CN2CCN(C(=O)CC#N)C(=O)C23CCCC3)c1C 1854117054 BTOYDYLBARSWFX-UHFFFAOYSA-N 414.506 1.831 30 10 HDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854405006 XIBUYHNFJGKPPR-UHFFFAOYSA-N 405.476 1.211 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)c1 1854450078 WRWJTRLFPPRFEL-KRWDZBQOSA-N 415.515 1.590 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@H]1C 1854822013 WZUOUGUKMYJCBW-CVEARBPZSA-N 415.490 1.692 30 10 HDEE C=CCN1C[C@H](C)C(=O)N(C(=O)Cn2nnc3ccccc3c2=O)c2ccccc21 1856039722 TXQMDTPACDYAPZ-HNNXBMFYSA-N 403.442 1.993 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc21 1856429439 SINKZUZTJSHQRS-KRWDZBQOSA-N 403.442 1.958 30 10 HDEE C[C@@H](C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)c1ccccc1 1857042186 SZKJTQUYHBUUML-CRAIPNDOSA-N 403.504 1.731 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCCCC3=O)C3(CCCCC3)C2=O)CC1=O 1857117475 PRTAXSQMGCJNDV-ZWKOTPCHSA-N 415.534 1.906 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 1858336484 RZIXHJZVVNFVLC-KRWDZBQOSA-N 423.491 1.580 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931981 ONVXNSGAFMFQRV-KRWDZBQOSA-N 400.504 1.014 30 10 HDEE C=CCn1cc(OCCc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCO 1870605155 QYIZZKJJDBWILH-UHFFFAOYSA-N 402.491 1.451 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3nc(C)cc(N(C)C)n3)CC2)cs1 1889490997 VHXGRAWKVRPPFL-UHFFFAOYSA-N 415.523 1.186 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CC(COc4cccnc4C#N)C3)cc21 1891689104 XNGOICATWDQUIS-UHFFFAOYSA-N 400.416 1.098 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1960393371 DNJJFKVVYRPRHJ-ZJIFWQFVSA-N 410.515 1.848 30 10 HDEE N#Cc1cccnc1N1CCCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1968651947 NBATWKHZXBNSJK-QGZVFWFLSA-N 405.458 1.122 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](CN=c2[nH]cnc(N)c2C#N)C1 2025247193 JKSZWLXWUPCTKE-QGZVFWFLSA-N 423.521 1.886 30 10 HDEE C=CCC[C@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2046018792 KPUCNXGGIWNBFH-KSSFIOAISA-N 412.439 1.350 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)O 2151777382 YXUNNPJTAVQHBR-ZDUSSCGKSA-N 401.416 1.344 30 10 HDEE C#CCN(C(=O)C(C)(C)CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180117845 PIZYOUJZTDPDPH-HNNXBMFYSA-N 400.541 1.966 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NCC1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2200859146 ILCQBDWDVKIWPF-AWEZNQCLSA-N 400.545 1.397 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2217478614 NXIYZXBVHQBILV-UHFFFAOYSA-N 419.287 1.867 30 10 HDEE NC(=NO)c1ccc([C@@H](O)CNC[C@@H]2CC2(Br)Br)cc1 2233038450 GVZMNECUGVRAPS-QWRGUYRKSA-N 407.106 1.910 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2247907103 VVPDJKMOEQPLCR-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247930439 SNCKRTRXDAZWBT-INIZCTEOSA-N 414.315 1.528 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCSCCCO)OC1(C)C 2267420527 WBLLBSHNAFHZHO-UHFFFAOYSA-N 407.388 1.441 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269028290 ICJFXCVEHWZFIP-MRVPVSSYSA-N 409.722 1.842 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)CC[C@H]1C 2282306874 UBFVEYIKGLGIES-YPMHNXCESA-N 400.375 1.856 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)c1nn[nH]n1 2282309606 HZJMEOKEYKKYJS-SSDOTTSWSA-N 419.725 1.253 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](CN)C1 2282332319 ZDXOOHNTJWJQQE-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CCC[C@@H](CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503334 YOCOYQAPYBMWCR-LBPRGKRZSA-N 404.363 1.413 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCOCCO3)ccc2Cl)OC1(C)C 2282507465 HZWRQBQOMPOOJV-UHFFFAOYSA-N 403.693 1.592 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCOC(F)F)OC1(C)C 2282509529 LOIKJNYWGYBOOI-UHFFFAOYSA-N 412.289 1.491 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCOC3)c(Cl)c2)OC1(C)C 2282512847 WCJUEFXLEAOFRD-LBPRGKRZSA-N 401.721 1.954 30 10 HDEE C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1 2282842693 BMCUXJYJJFJZSX-NWDGAFQWSA-N 401.363 1.002 30 10 HDEE CC(C)[C@@](C)(CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842899 FHVIJFVKKMBQGA-QGZVFWFLSA-N 403.375 1.874 30 10 HDEE CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857566 JWMHODGUXKIPGN-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CN(C)CC(C)(C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282885217 ZGQJNVSIMNNOJH-UHFFFAOYSA-N 402.391 1.807 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2300228975 RBTKVMWLKHCDRO-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2302852677 PLZSGMYAIOYGJL-CQSZACIVSA-N 413.283 1.835 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2362770012 DPIBCKQLVJREFZ-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(OC)CCOCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2363644818 WKKVJLYBXVJHLT-NZQKXSOJSA-N 416.518 1.937 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2[C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365176588 RBEOFFSTEGZYNW-HOTGVXAUSA-N 400.541 1.258 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2365202891 GRSKYSNYUYAJGR-JYJNAYRXSA-N 402.557 1.816 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365242187 WWIGSGJZCPLPEM-FZKQIMNGSA-N 405.513 1.976 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367815694 FZLGGGTWUQJGPG-BEFAXECRSA-N 400.541 1.307 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1 9333679 NLOFWSDFWAEVKQ-INIZCTEOSA-N 421.519 1.938 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)Nc1cccc(C#N)c1)C2=O 10055355 ONXPKNVDYRJBAU-GJGORFQUSA-N 412.446 1.929 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3F)n2)o1 59879051 AVTBDZCCPRMZGI-FBCYGCLPSA-N 404.431 1.744 30 10 HDEE Cc1cc(C)n(C(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(CCO)c3C)n2)n1 59887876 WRJXFJHTXPVSBF-QGMBQPNBSA-N 417.499 1.302 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccn2)[C@@H](C#N)C(=O)N3)C1 72445715 KKAFLROMCPEWNH-UMVBOHGHSA-N 422.445 1.168 30 10 HDEE COCc1cc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 103099064 CLNWTLFHDMETPS-VZCCSQPZSA-N 417.414 1.562 30 10 HDEE C#CCN(CCS(=O)(=O)c1cc(Cl)ccc1Cl)[C@H]1CCS(=O)(=O)C1 111045815 FPNIETFEIWFOGX-ZDUSSCGKSA-N 410.344 1.889 30 10 HDEE Cc1ccc([C@@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)cc1 301340971 FPUPLNZKEMBEPH-HXUWFJFHSA-N 400.504 2.000 30 10 HDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(C)c1 409721231 GMQGBARYSOFMQX-SJORKVTESA-N 410.478 1.466 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 438898404 AAZPJFJVHMAHOY-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CC1 460860578 RMQGACBSJMTULX-QYZOEREBSA-N 412.538 1.061 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2nccn(C)c2=O)CC1 467167098 AHGDGTISGSXXIM-ZDUSSCGKSA-N 400.870 1.455 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 481448965 NZIRKBYFWQTBLE-YOEHRIQHSA-N 415.519 1.676 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC[C@](C)(O)C1CCCCC1 484405261 WJOUKBCYUJKETR-NRFANRHFSA-N 410.478 1.833 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 487372528 UKTSOABWKMBBCK-GAIHVZROSA-N 401.444 1.254 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)cc1 500947919 UFUZOAGYWLAYGT-UHFFFAOYSA-N 409.851 1.433 30 10 HDEE COCc1nc([C@H]2COCCN2C(=O)CCCOc2ccc(C#N)cc2OC)no1 501941692 CUVUGLCOFMQXLA-OAHLLOKOSA-N 416.434 1.855 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506638424 XTWXXOKHBQOCOD-LJQANCHMSA-N 416.570 1.266 30 10 HDEE Cc1nn2c(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c(C)nc2s1 506802294 BKMZOFCOURVSPY-UHFFFAOYSA-N 416.532 1.786 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508680436 SPLVAUXWCFVMFT-LJQANCHMSA-N 421.505 1.315 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 508938479 KDRVQQKCKVHPEH-QGZVFWFLSA-N 419.432 1.793 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCN(c2ncccc2C#N)CC1 522278932 DCYHVYMBJSXUNG-HNNXBMFYSA-N 413.503 1.506 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 522287723 CUCPAXQTSMGHNS-MRXNPFEDSA-N 416.522 1.538 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)n1 539137454 UMMBXZXSUIBRSP-UHFFFAOYSA-N 400.483 1.309 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)C1=O 542691167 CVHRHHPEVGRFKM-HNNXBMFYSA-N 407.492 1.451 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)[C@@H](C)O)cc1 543715466 NSPRCEDMXBIIKC-BVGQSLNGSA-N 405.451 1.543 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(F)cn2)CC1 549253059 MIYXGHLHLXMWDU-CQSZACIVSA-N 423.518 1.325 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 549261586 RXOWCDFIKSPLSD-GJYPPUQNSA-N 410.540 1.531 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 557140968 KLKYYDMIVASOQR-KRWDZBQOSA-N 422.526 1.844 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)n1 562877160 PNQFNDVQDUWRRD-UHFFFAOYSA-N 411.510 1.220 30 10 HDEE N#Cc1cncc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2Br)c1 564554866 QEAJFDNXHCYRGW-UHFFFAOYSA-N 410.249 1.991 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)ccc1C#N 582307590 SCUMEUWEJOIOOK-UHFFFAOYSA-N 413.499 1.992 30 10 HDEE N#Cc1ncn(CCNC(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)n1 582318214 FSMOONFLAOEXIJ-UHFFFAOYSA-N 402.484 1.584 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(C(=O)OC)cc3)N2N1 588225423 FBMPDGVVELVMBF-GOSISDBHSA-N 406.467 1.535 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(Br)cc2)CC1 605058112 AXSUEOYCHAYWOD-UHFFFAOYSA-N 409.328 1.621 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 608890088 ZYUNGKVZIFGISL-HZPDHXFCSA-N 407.474 1.613 30 10 HDEE N#Cc1ccc(N2CCC(OCCCO)CC2)nc1N1CCC(OCCCO)CC1 618155801 KWCUCZAUALJVMD-UHFFFAOYSA-N 418.538 1.689 30 10 HDEE N#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 727850356 UIFVILCRXDHCRX-QGZVFWFLSA-N 421.425 1.980 30 10 HDEE CC(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 730144953 UXBJOJNPHMFUSM-DVCONVQISA-N 405.568 1.648 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 732010740 DZSFIWLVGXIONJ-HNNXBMFYSA-N 422.507 1.618 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)CCN1C1CC1 732706505 ONYIMEVARGWTAR-LJQANCHMSA-N 405.458 1.798 30 10 HDEE CCOC(=O)CCc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 739597702 COYVXVIAGZFLKZ-UHFFFAOYSA-N 415.471 1.860 30 10 HDEE Cn1ccnc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)c1=O 745991293 NQDQBIGIIKRRLS-CQSZACIVSA-N 408.487 1.388 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750424757 AVVHQZPOVWIEJS-LLVKDONJSA-N 421.255 1.590 30 10 HDEE CCOC(=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 753244341 BTYFMDZXYYAWRW-DOTOQJQBSA-N 414.462 1.857 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 758611892 GZEYNANYGZRTGD-LBPRGKRZSA-N 403.298 1.573 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)cc1 760986526 CXHCPVANYNIWRH-HNNXBMFYSA-N 409.471 1.670 30 10 HDEE NC(=NOCC(=O)NC1CCN(C2CC2)CC1)c1cc(Br)cs1 762710788 PVLVYFAGROHTDG-UHFFFAOYSA-N 401.330 1.891 30 10 HDEE C=CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 773286725 SSKAVVLOTPFUNB-OQKWZONESA-N 406.508 1.910 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCCC(=O)OC)cc1)[C@@H]1CCS(=O)(=O)C1 774218184 IBCQICPZCSIGRG-QGZVFWFLSA-N 422.503 1.351 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OCC[C@H]3C2)CC1 776012435 ZFJKELBJUBOBJF-RBUKOAKNSA-N 415.469 1.061 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccn(C)n3)CC2)cc1 778588421 JGLOECQYEBRRDB-UHFFFAOYSA-N 405.480 1.736 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 780848096 JIKWSMDCWIUIMI-SFHVURJKSA-N 419.890 1.778 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 786469942 VPFJXFNHADNFHX-QEJZJMRPSA-N 423.491 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OCC)C2)n1 789217094 PFNLDAJMCMEBTN-ROUUACIJSA-N 419.526 1.931 30 10 HDEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 801760512 XNSITMKUIOWEFV-GOOCMWNKSA-N 413.503 1.396 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 801957024 UITDAKSFDSKBBD-GHTZIAJQSA-N 408.468 1.606 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1)[C@H]1CCS(=O)(=O)C1 802349880 YFLMVAXRVUENDE-LSDHHAIUSA-N 423.466 1.159 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCCn1cnc(C#N)n1)c1ccc(F)cc1 804621092 HPJXGWMTYUUWIB-OAHLLOKOSA-N 402.430 1.714 30 10 HDEE C#CCCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 804936255 MKZKIRHCXNVUTM-UHFFFAOYSA-N 424.466 1.755 30 10 HDEE Cn1nncc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 807934530 MIJGGICVPPTDJB-MRXNPFEDSA-N 409.475 1.487 30 10 HDEE COCc1nc(Cl)cc(NN=Cc2cc(OC)c(OCC(N)=O)c(OC)c2)n1 814976466 VMSPMNMKHLKGMH-UHFFFAOYSA-N 409.830 1.604 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 837868903 MAYCJSXQKOBPAW-SFHVURJKSA-N 403.467 1.301 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 849200039 VHAWASXJQFRHSX-INIZCTEOSA-N 420.535 1.365 30 10 HDEE NC(=S)N1N=C(c2ccccc2)C(=NNc2cccc3c(O)nnc(O)c23)C1=O 1084277712 BSCYZIINMCCPSP-UHFFFAOYSA-N 407.415 1.299 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)cc1 1084545172 CWTCNBZAVUQYJX-UHFFFAOYSA-N 412.479 1.250 30 10 HDEE CC(C)N1C(=O)CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125125119 CRFVVXVQOQYKEE-HGSNWSKYSA-N 406.508 1.837 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H]1c1cccnc1 1126036115 APOCVICPTKYREA-FCEUIQTBSA-N 419.485 1.216 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1133810199 DRESBYCBKWIFPR-AWEZNQCLSA-N 416.544 1.504 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 1138294636 JXWHMFZMOXBXAT-UTKZUKDTSA-N 421.515 1.960 30 10 HDEE COC[C@@]1(CO)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1140962155 YZUIKKXWDSKQEQ-FQEVSTJZSA-N 413.434 1.843 30 10 HDEE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H]1C 1144384568 FRSDZPNXPFISIA-SDDRHHMPSA-N 405.296 1.881 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1153516530 KHFCSWWQNXDLCF-HUUCEWRRSA-N 411.499 1.516 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2n1 1156691032 WUDIERXGFKKWEM-ZBFHGGJFSA-N 402.476 1.196 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 1158230087 MLEAOVIDISCXAX-GOSISDBHSA-N 412.533 1.192 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)CCOC1 1167320663 HEGIWFDKGLNNIB-QGZVFWFLSA-N 412.368 1.062 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(C4CCC4)no3)CC2)C1=O 1171357678 WKKRBPRWCOTDEZ-UHFFFAOYSA-N 415.450 1.095 30 10 HDEE COc1ncc(NC(=O)Cn2nc(Br)c(Br)n2)cc1C#N 1177479943 CHTBIAKVLLJELZ-UHFFFAOYSA-N 416.033 1.717 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)[nH]n1 1180253332 ZAXTUSAIKPXILM-UHFFFAOYSA-N 409.446 1.849 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1189623398 HLWOJHSKYYWZHK-MOPGFXCFSA-N 408.520 1.871 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(CC(N)=O)CCCCC2)CC1 1198533724 OVMFGROMQIPUFH-INIZCTEOSA-N 403.552 1.625 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)CCc3cccc(F)c3)C2=O)cc1 1211727144 CXYWWJNUTBRZOK-IBGZPJMESA-N 401.463 1.960 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1213276293 NJVHUSOIJFCZDP-SECBINFHSA-N 407.261 1.394 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC[C@H]3CSc4ccccc4O3)C2)c(=O)nc1O 1230335472 BQFJTDMZCHCTFK-AWEZNQCLSA-N 413.459 1.330 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1264351244 VCPUQBJQSXLODW-BMANGOCTSA-N 402.476 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1286271192 QWUYSGXFKBIQIY-INIZCTEOSA-N 411.510 1.154 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286336103 PCEITHFZVBSNNE-UHFFFAOYSA-N 406.494 1.423 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286379886 DJXAKLNFGBCMTP-MRXNPFEDSA-N 419.551 1.331 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1286448594 YUSDIHIELLLDKQ-INIZCTEOSA-N 412.519 1.690 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCOC2)CC1 1286482775 YSXZPSPIRVXJHH-QGZVFWFLSA-N 400.552 1.816 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286493464 BSEOEOYVNLTGLJ-KBPBESRZSA-N 415.585 1.041 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(F)F)C1 1286780877 KOQAXIKOBACFPO-CYBMUJFWSA-N 412.485 1.980 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1286786998 AEIGCSCVBJFHLN-MRXNPFEDSA-N 412.494 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286819799 WHZVPDDXVDNINF-MRXNPFEDSA-N 421.567 1.641 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCc2nn[nH]n2)CC1 1293136236 DQBYNYOKFWKAEE-OAHLLOKOSA-N 418.299 1.694 30 10 HDEE CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293519921 PMKXLCOFSCQEQY-UPTRSRDDSA-N 402.499 1.717 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1297322532 NVAVDXBZZOUJRO-KURKYZTESA-N 404.898 1.862 30 10 HDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1297592874 VGDBXMKUYUUOHG-LJQANCHMSA-N 424.505 1.887 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1298784017 JPNAMGALMORKQF-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1298937400 QIJZRQMULVDMOB-ROUUACIJSA-N 416.526 1.564 30 10 HDEE COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1299400276 QBHLYGLUWBSEIW-UHFFFAOYSA-N 412.450 1.303 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)C1 1300019237 STZSLINKXJOJOQ-HNNXBMFYSA-N 402.451 1.696 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300495197 FHESOPXOSAFOPV-UWVAXJGDSA-N 424.567 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc2c(c1)C(=O)NCC2 1300541446 UZKVQTVPRVIVJH-UHFFFAOYSA-N 410.481 1.671 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cccc(OC)c1 1300578263 KDVZMXVXZSDQFF-IBGZPJMESA-N 421.501 1.684 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1300579862 YMAQOOJNHQXWJR-ZWKOTPCHSA-N 405.506 1.775 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCn2ccnc2C1 1300649953 QEYWZGHZAFLETB-QGZVFWFLSA-N 411.510 1.059 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCOC2)CC1 1300725870 FNHAJDIETLPNOL-GOSISDBHSA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300768734 XAYXPNLHBVWBQW-UHFFFAOYSA-N 411.597 1.363 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCC(=O)NC1CC1 1300788634 GWIDQAOHIVQIRW-FGZHOGPDSA-N 415.538 1.981 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](CN2CCOCC2)C1 1300897124 OGSXKWRCBIAAEM-SBHAEUEKSA-N 419.570 1.954 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300948771 ADLCMAGWZCOFDO-LSDHHAIUSA-N 407.482 1.182 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1300963335 SSDGLMGVQKEBBQ-UHFFFAOYSA-N 416.501 1.830 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1301286777 KRLSWPFMABEHFZ-UHFFFAOYSA-N 419.555 1.729 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(OC)C1 1301508317 HVRLVUPXSBABDW-JOCHJYFZSA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1301508377 JGFRGUTYAOIRHX-GOEBONIOSA-N 418.542 1.882 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1301520493 ZAKXOGKTWKYSFD-UHFFFAOYSA-N 405.547 1.462 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCC(=O)N2CCCCC2)c1 1302982204 GIIAWBFUUZVVTO-GOSISDBHSA-N 421.505 1.531 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1303635668 IJCFSBFPHCYPRI-NARAOEGZSA-N 402.499 1.696 30 10 HDEE N#CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(F)(F)F 1303846293 GAYMFDJYFQWXPU-STQMWFEESA-N 400.357 1.508 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4cccn4C)n3CC(C)(C)O)CC2)c1C#N 1304730540 HOVHXJGSQHKXBX-UHFFFAOYSA-N 423.525 1.295 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1312950489 SCAXGGYSARZAMY-UHFFFAOYSA-N 418.313 1.973 30 10 HDEE C[C@@H](c1ccncc1)N1CCC(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1322856129 CSTOXJKONMEXGR-CVTQAYBASA-N 412.494 1.433 30 10 HDEE CCN1C(=O)C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@H]1c1cccc(C)c1 1349462670 HGXLILMHCIGRFP-QFBILLFUSA-N 422.489 1.975 30 10 HDEE CCN1CCOC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1355382084 FAYMXXRRUWKASH-HSDQKXRGSA-N 422.551 1.939 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1c2ccccc2CC[C@@H]1C(=O)N1CCN(C)CC1 1357526850 FNURPJPWNZDCFQ-HXUWFJFHSA-N 403.486 1.997 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1358917736 ZOSCAOWYSRZPIE-KRWDZBQOSA-N 408.510 1.995 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CC=CCC2)CC1 1359029841 IWIPQOVNEZLBFS-LJQANCHMSA-N 402.543 1.019 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2cnnn2C)CC1 1359032288 JBVLKRWEAWWGBM-UHFFFAOYSA-N 414.876 1.670 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359032557 SGTZXOPOSZRBIF-RBUKOAKNSA-N 415.925 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(N(C)C)CCC2)CC1 1359047812 USHCCOKQSKJJII-UHFFFAOYSA-N 402.543 1.265 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCOC2)C1 1359062413 HNQSROFDBPYOSB-ABSDTBQOSA-N 406.552 1.985 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359075915 KEHMUDBQSXNZNN-STQMWFEESA-N 423.315 1.138 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)CC1 1359179302 QXIQNWHYZKNYDO-KRWDZBQOSA-N 404.540 1.788 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359188278 KOHPFZZRKXRAAK-FOIQADDNSA-N 423.583 1.745 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1359239606 SFQWFPLRHIVMRA-ZDUSSCGKSA-N 408.304 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359330386 QDMQYXJYEVRWCK-GVDBMIGSSA-N 417.535 1.660 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1359332663 CXEJEGWRXAUMJL-IBGZPJMESA-N 411.572 1.430 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1359472360 KOJXLWARUSDMGY-VLXJIEOASA-N 402.455 1.142 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1360337794 WNUOFKORVCJDTR-INIZCTEOSA-N 415.490 1.783 30 10 HDEE COC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccnn1C 1437068195 PRWVAEKSTZTEBX-YVEFUNNKSA-N 415.837 1.329 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(-n2cc(Br)cn2)nn1 1437440243 HCBKCVCKWRXWFI-UHFFFAOYSA-N 420.267 1.842 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C1CCN(C)CC1 1439606087 YXFPLBUOHNGRSF-UHFFFAOYSA-N 404.536 1.038 30 10 HDEE COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1451930102 WSANZJYHEKLWSC-UHFFFAOYSA-N 413.455 1.786 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1 1455541549 HXYAPZOKUJWQMF-OAHLLOKOSA-N 403.426 1.616 30 10 HDEE C#CCN1CCC(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1455948958 XSDNIZDZTWUHAJ-UHFFFAOYSA-N 403.826 1.967 30 10 HDEE C#CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(C)CC1 1456169119 KKUPYUIZKJOKRC-OAHLLOKOSA-N 402.520 1.060 30 10 HDEE CC(=O)c1ccc(-c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)o2)cc1 1457205466 YIXGMTDFZCSTOX-UHFFFAOYSA-N 404.382 1.980 30 10 HDEE COc1ccc([C@@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C2CC2)cc1 1460877302 BWNKHQXFBQEGJC-FFZOFVMBSA-N 403.504 1.133 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C(=O)OC 1463853590 HCMPFADWVZSVFK-GFCCVEGCSA-N 418.265 1.469 30 10 HDEE C[C@@](O)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1464026969 GGIKVBUPRXPQLW-FQEVSTJZSA-N 417.462 1.438 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 1464348191 HBEYHTSIPIKXPJ-HNNXBMFYSA-N 419.445 1.462 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 1464588849 JKPVINXAXOLVPE-OAHLLOKOSA-N 419.544 1.014 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](CO)Cc1ccoc1 1471571130 UJLLUBHWNVYYDT-HNNXBMFYSA-N 405.476 1.066 30 10 HDEE Cc1ccc([C@@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCCC2)cc1 1477673496 FGBZKNKHWUXARX-GOSISDBHSA-N 410.478 1.265 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1479060231 KUSRNKZDHHPNAH-IBGZPJMESA-N 415.515 1.894 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)C1 1502463593 PORBRPYLPKDMRN-OAHLLOKOSA-N 406.512 1.607 30 10 HDEE CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503211619 MXHZVWSLPHVPRI-MRXNPFEDSA-N 414.514 1.059 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1507515949 AAMAOWSCZDORTL-UWJYYQICSA-N 405.543 1.499 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507589809 OYHRJOADFOPDSW-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CN(CC(C)C)CCO1 1507604993 KOZWSRUGSVLCLH-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H]1C(=C)C 1507612503 WHJAJNWLDGXNIN-HKUYNNGSSA-N 404.478 1.971 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1507621084 OZKNDNSPMOYBJS-OAHLLOKOSA-N 404.515 1.773 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@H]1C 1507675835 GGUDNIZYJLJTPA-AABGKKOBSA-N 415.538 1.186 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1507783616 DDHNZROPIQPZMJ-XQQFMLRXSA-N 419.345 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1507790954 GBWOJUKVJKXEFF-PMPSAXMXSA-N 405.499 1.397 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1507806523 AWAMBPCRAIHTIL-MDKPJZGXSA-N 419.526 1.190 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1507952435 UCOYNMUKRMYHCI-CQSZACIVSA-N 402.524 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508080865 SASJXPPGJPCLCY-QGZVFWFLSA-N 412.542 1.293 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@@H](C)O[C@H](C)C1 1509577560 GJICKWGOJIEIQU-BRWVUGGUSA-N 405.547 1.654 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1509947911 XFOKUSLJXGIZEG-QKKBWIMNSA-N 410.478 1.933 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1518752666 UVEYNGBILLCIKL-SFHVURJKSA-N 402.474 1.570 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1519169867 CDNLEAJTGOBXQH-IIBYNOLFSA-N 415.494 1.456 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@](C)(C#N)CN(C)C)c1 1525599342 KIDKCEXPPYGWIV-HNNXBMFYSA-N 402.314 1.816 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CS(=O)(=O)CCCC)c1 1528411272 BMEICEAEQAEGPN-UHFFFAOYSA-N 406.504 1.075 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(C#N)cn1CC 1528979201 GHEXINVVGTVSPZ-KBPBESRZSA-N 400.435 1.670 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1=O 1530768301 BENSDIZWZMHWSJ-LBPRGKRZSA-N 415.280 1.718 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1533048657 IRPKNNCHOLQZDS-UHFFFAOYSA-N 402.925 1.548 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1533780117 YQBKHBVPBHVAGK-UHFFFAOYSA-N 415.471 1.524 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)C)CC1 1539104680 OGJRICFTMPNAME-UHFFFAOYSA-N 405.510 1.865 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539216157 OCZYLFHLXSYHSM-SFHVURJKSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1OC 1539260189 LRFQVFHMIKSWNP-IAGOWNOFSA-N 407.474 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCC(=O)NC1CC1 1539333401 CPPNDJXQDWOSIN-UHFFFAOYSA-N 407.522 1.661 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1539357227 FMWOKBXZNQQCBE-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCN1CCOCC1(C)C 1539407834 QMNRRQBYOQCWEA-UHFFFAOYSA-N 400.527 1.480 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)COC)CC1 1539454200 ZWWUNYIQBMQSTG-GOSISDBHSA-N 407.522 1.554 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2ccn(C)n2)CC1 1539475429 FYYYLGLUFCPAOP-UHFFFAOYSA-N 420.521 1.226 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539481072 ICFACAFTCGHGII-AQOAWAETSA-N 417.554 1.545 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cnccn2)CC1 1540897293 GEOYPLJMRRRLJC-INIZCTEOSA-N 419.555 1.509 30 10 HDEE CN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(C#N)o2)CC1=O 1554363080 DJYLAYUETLXRAA-SJLPKXTDSA-N 412.494 1.988 30 10 HDEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1cccc(Cl)c1 1558805267 IVAVYCVQMDTXCX-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE Cc1noc([C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)C)n1 1558873883 SHLSLXAZYQQHOL-MRXNPFEDSA-N 405.480 1.710 30 10 HDEE Cn1c(=O)[nH]c(N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c1=O 1559201624 CQDFPCJXPVDKBV-WMZOPIPTSA-N 423.473 1.477 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)Cc1nnc2c(=O)[nH]ccn12 1560112348 AWNUXXYVFXLGPC-CYBMUJFWSA-N 411.491 1.740 30 10 HDEE COC(=O)[C@@H]1c2ccccc2OCCN1CCS(=O)(=O)c1ccc(C#N)cc1 1560198387 RLYAZKLGBREDJF-IBGZPJMESA-N 400.456 1.941 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCOC4=O)cc3)CC2)cn1 1564416833 FVSCQAQHAXDDFG-UHFFFAOYSA-N 406.446 1.942 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC[C@H]2c2ccccc2)CC1 1564827837 REQLYJJQZBTKQT-MOPGFXCFSA-N 404.536 1.365 30 10 HDEE C[C@@]1(C2CCN(C(=O)c3cccc(C#N)c3Br)CC2)NC(=O)NC1=O 1566044620 SLXYMWUABBEOQY-KRWDZBQOSA-N 405.252 1.771 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1583038911 XOVAFVTZZQZYGH-JKSUJKDBSA-N 413.540 1.999 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCC(=O)N(c4cnn(C)c4)C3)CC2)c1C#N 1584066828 HIFKOWFHQDJILS-AWEZNQCLSA-N 413.507 1.149 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1585911147 VOLACICIUWUTES-QFIPXVFZSA-N 423.561 1.166 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1587627614 VSGMQEDVSYDHRV-APWZRJJASA-N 403.490 1.980 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1587852144 RBORRRNIXJPCCR-HOTGVXAUSA-N 413.551 1.982 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1587975329 XQJCUZLZHWXJFL-SFHVURJKSA-N 405.506 1.602 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588028958 AZZQDRKTZATKCY-RDTXWAMCSA-N 412.581 1.070 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588075173 ZSUOQDWJFLOHRQ-IAGOWNOFSA-N 408.524 1.349 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)CC1 1594097244 ORWCEAXDRXFPQF-QWXGXRTQSA-N 412.581 1.638 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC2CCOCC2)CC1 1595543842 AMGUEVYETZBESJ-UHFFFAOYSA-N 416.570 1.787 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595776803 FUPQSKSAGILQEM-SJORKVTESA-N 415.519 1.261 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](O)Cc3ccccc3F)C2=O)cc1 1596274800 XQJCOWWDGBOWEO-MJGOQNOKSA-N 424.432 1.622 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)c2cccs2)c1 1611169755 LTYYTAHJHITQSV-UHFFFAOYSA-N 409.464 1.734 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(F)c(C(F)(F)F)cc2F)c1=O 1613380173 FRQBNZOJUGXWOX-UHFFFAOYSA-N 403.307 1.889 30 10 HDEE COC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCC1 1616555893 MEOLRGGLYCVVHF-KRWDZBQOSA-N 407.492 1.730 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C(=O)OC 1626205155 XWCCHPXIOSBOBD-SJORKVTESA-N 420.462 1.169 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1)C(=O)OC 1626208291 LERQNWIYCJFZJC-CKFHNAJUSA-N 400.472 1.309 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)C1CCCC1 1626235612 NQLQLSAJEFFSLY-GOSISDBHSA-N 406.552 1.907 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC(O)C1 1626502670 FIWLHBRSUHNHEP-UHFFFAOYSA-N 415.494 1.268 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCOC[C@@H]3C#N)cnn2c1 1627868091 ZKEZAWQEKVQUDQ-AWEZNQCLSA-N 400.439 1.161 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CNS(=O)(=O)c3ccccc3)CC2)c1 1628141762 GPVORNFTNKLMTN-UHFFFAOYSA-N 412.515 1.617 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2c[nH]c3cccc(C#N)c23)c1 1628423094 CXFPGTKNWWVLMB-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE C=CC[C@H](NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)OCC 1632656310 OXIUZVAVPUZRBK-VGWMRTNUSA-N 410.536 1.907 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3cc(C)ncc3C#N)CC2)cc1[N+](=O)[O-] 1639143806 VPJRDONOYJUDBC-UHFFFAOYSA-N 417.447 1.689 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1639625208 BXFIEBYPECCOMM-OAHLLOKOSA-N 403.464 1.009 30 10 HDEE C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821581 IJFPOAYIJCSZHI-FXZALKMXSA-N 423.535 1.442 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1ccc2c(C#N)c[nH]c2c1)C1CCCC1 1642454684 KNFPWMPHMYLALR-GOSISDBHSA-N 403.508 1.724 30 10 HDEE Cc1nn(C)c(N2CCN(C[C@H]3CN(C(=O)OC(C)(C)C)CCO3)CC2)c1C#N 1642752136 YHGFAABLVKQXRP-INIZCTEOSA-N 404.515 1.358 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 1642946069 BTESHRLMXHQSLL-UHFFFAOYSA-N 422.507 1.334 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(CC(=O)N(C)C)CC1 1644518413 HWESFXGISWXKEL-QGZVFWFLSA-N 403.502 1.557 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCC2(C#N)CCCCC2)s1 1645581161 JLQZSAIXUTUTJI-UHFFFAOYSA-N 412.537 1.253 30 10 HDEE CN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C[C@@H](O)c1cccc(C#N)c1 1647116399 NLYBGCKQNXMKFF-OAQYLSRUSA-N 406.486 1.967 30 10 HDEE O=C1Nc2ccc(F)cc2C2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)O1 1647769477 RLZAUTUKLYHKMS-WUKNDPDISA-N 400.366 1.342 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Nc2ccccc2C#N)CC1 1647923402 VDZBYPRYRPSSKH-UHFFFAOYSA-N 414.487 1.931 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nccc(Br)c1O 1648157355 VEOZMSPQFDEBSF-UHFFFAOYSA-N 411.237 1.227 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(c3ccncc3)CC2)cc1 1648862797 QJLLFKZXXFCECM-UHFFFAOYSA-N 400.504 1.898 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1652167624 UFRGBBACOUQOCM-UHFFFAOYSA-N 410.492 1.056 30 10 HDEE C#CC1(O)CN(C(=O)CSc2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)C1 1653284606 TYURJBMTAFUDSS-HUUCEWRRSA-N 412.515 1.542 30 10 HDEE C#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)CC1CC1 1653809042 YWWKILSMQVAVHL-UHFFFAOYSA-N 419.547 1.616 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3C#N)C2)ccn1 1655960282 DZIVRWFMUMHFTA-CQSZACIVSA-N 418.450 1.684 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1660578157 VFYZNMNOROUAPM-LJAQVGFWSA-N 416.547 1.572 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3)[C@@H](C)C2)c1 1665221687 OOECTLPVYSRWJY-INIZCTEOSA-N 400.504 1.897 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CCO1 1665441676 GGQYEXOOENIENL-AWEZNQCLSA-N 420.413 1.413 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)CC1 1667179761 RWQDFPVWXREVEW-UHFFFAOYSA-N 421.519 1.862 30 10 HDEE C#C[C@H](NC(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1)[C@@H]1CCCO1 1681594121 YMGQCAUEFGNZCP-MNEFBYGVSA-N 405.520 1.795 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)cc1 1685575580 WTBLJLUUDBRJOM-GOSISDBHSA-N 407.478 1.160 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1 1686016050 LXIDZPHRQJZKFS-WKULXVSPSA-N 402.539 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1689847776 HTSMSCJWQJIBLU-IVZQSRNASA-N 422.489 1.455 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1689907486 ABGAISOMOYTOAO-SFHVURJKSA-N 413.526 1.548 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@@H](O)C1 1689961297 RZAIRHATKYYVJE-HZPDHXFCSA-N 406.490 1.813 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1689966137 LJZLSVYRYWDETB-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689986508 RGISCWWTVSJCEQ-GVDBMIGSSA-N 417.535 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC(C)(C)C(=O)NC 1690009593 CFMHVRQGOCUVGJ-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](COC)OC 1690015418 MAAFSXFUQLJLRO-OAHLLOKOSA-N 406.446 1.328 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnn(C)n1 1690067590 CQNSQOVXNGXFEA-UHFFFAOYSA-N 410.482 1.774 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(C)=O)c1 1690092390 GPQVGIUQKIDGMQ-UHFFFAOYSA-N 412.494 1.509 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1nnc2n1CCCCC2 1690100078 WSLHGQDETMWPFJ-UHFFFAOYSA-N 406.494 1.792 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690165981 PPRKFVSXXXDTEF-UHFFFAOYSA-N 419.576 1.830 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690172660 LDLYCHMXJQSJFQ-IKGGRYGDSA-N 403.552 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690668271 YVCMFKHTCYCOMS-UHFFFAOYSA-N 418.523 1.046 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1696819432 NHUMKWGKNDVZDV-RBUKOAKNSA-N 407.478 1.690 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1Cc1ccc(C#N)o1 1698172826 XFWRMVOGZPYTSI-KBPBESRZSA-N 416.438 1.156 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705530083 NWZMKJFOWQYJBS-HNNXBMFYSA-N 405.466 1.001 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705532627 PNDRDUNPEICJLT-ROUUACIJSA-N 423.583 1.693 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@H]2COCCO2)n1 1705632088 VLFLRMPGMXEWCD-GOSISDBHSA-N 400.483 1.054 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccc(C(N)=O)c2)CC1 1705638102 YIMQIJATXOXZCK-UHFFFAOYSA-N 401.474 1.243 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCC=C)CC1 1705641063 OTUOEBWYZJLFFY-UHFFFAOYSA-N 419.533 1.865 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1705665255 OGTYKUVJCZDWQF-UZLBHIALSA-N 421.567 1.400 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705762099 MGSZAQJGSBKSMX-FHLIZLRMSA-N 422.961 1.871 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cscn2)CC1 1705900099 QEXWBRVLGYRLGU-UHFFFAOYSA-N 424.534 1.421 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1706659058 DGLHISUNETVCCI-VQIMIIECSA-N 424.571 1.630 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccccc1 1706863905 CWHISAILVDAKRZ-OAHLLOKOSA-N 418.523 1.707 30 10 HDEE CCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)C1 1710235050 OMXVSEAEHJOACW-FJIDUMEYSA-N 404.515 1.073 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1710874513 FBGXVDCJUPZJDJ-GASCZTMLSA-N 403.508 1.865 30 10 HDEE COC[C@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712137905 GLDDWHAJKPMQDZ-AEFFLSMTSA-N 411.510 1.658 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1712317941 DIHLSHYNVFPBAA-NHCUHLMSSA-N 412.494 1.306 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722331319 CQICCXFDEWODIG-NRFANRHFSA-N 407.478 1.568 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722363600 ARHOURIEKFHYAA-SJLPKXTDSA-N 417.535 1.173 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722365819 PMYJRYFZAKJTRA-ZFWWWQNUSA-N 422.580 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)[C@H](C)CC 1722376845 FIHYZWNYMPIKHZ-VGOFRKELSA-N 418.505 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)C1CC1 1722377084 OSACCLAFTGVJOH-IBGZPJMESA-N 402.462 1.419 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)[C@@H](C)CC 1722397817 VGOBFWNINYXCGW-QKLQHJQFSA-N 406.552 1.440 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1722522936 NJZFBOGOSZGQIF-GOSISDBHSA-N 412.542 1.603 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722526245 SXTMYUHJZYABCD-KRWDZBQOSA-N 409.538 1.629 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1722608788 LWZWKSYTIIRDBN-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1722620248 DHDMJPJRHLARTO-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE CC(C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723186292 GQKYDTKQZJEIJJ-ZZEZOPTASA-N 413.526 1.602 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC(F)(F)F 1726405562 AIPSBLWVVOYYMS-GFCCVEGCSA-N 410.404 1.890 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H](C)O1 1726666363 KJKCLRKRYMVWQL-ZQIUZPCESA-N 423.477 1.419 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1730893688 GZUBFWUVXOMMLO-QGZVFWFLSA-N 411.466 1.823 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC(F)(F)C(F)F)CCO1 1731187012 INJVZIXRJSCTHU-NWDGAFQWSA-N 407.368 1.775 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1740534661 JCIYTVNWEWRTCU-DPSCBSAHSA-N 406.527 1.707 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1740566285 FRUUPVKOUZJRDP-LPHOPBHVSA-N 409.556 1.699 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1740599968 HFLQVSRYEICNJA-CABCVRRESA-N 421.523 1.434 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[S@@](=O)C(C)(C)C 1740646454 ADWDUPIEALCHJE-ONOMSOESSA-N 420.579 1.940 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1740649629 YXFFUMSWASPCLM-HOTGVXAUSA-N 407.540 1.166 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCC[C@H]1C 1740681559 POEYGFCKNIICDF-VQIMIIECSA-N 422.493 1.432 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2ccccc2F)CC1 1740694636 PDSSGFLBFYAABE-UHFFFAOYSA-N 410.497 1.870 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740715237 FZZDFLGMHQEOKK-UHFFFAOYSA-N 415.567 1.740 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COC)C1 1740751223 ZMIFMJKPQZPFTH-ZACQAIPSSA-N 407.515 1.249 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1740781331 CBPGFZGMEGOFJX-QGZVFWFLSA-N 418.542 1.565 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C/CC)CC1 1740838859 ADYPMQKYUVUISP-DKRLNXSXSA-N 409.556 1.980 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1740876430 RWMIPYODSKYSAV-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1COCCO1 1740939448 XAYVLHMCCGAUPF-KRWDZBQOSA-N 403.439 1.908 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1COC(C)(C)OC1 1740945667 JYLVUBGMBZKPOC-UHFFFAOYSA-N 410.482 1.942 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1740946930 KKMLGOCWERYBNR-HXUWFJFHSA-N 424.549 1.797 30 10 HDEE CC1=C(Br)CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1742018586 KOTCQACZZDMXRL-FOCLMDBBSA-N 421.299 1.992 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1746362959 GSHJBUHOUCNGSA-KRWDZBQOSA-N 419.493 1.439 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1748105288 PHUHVVWKGDPOOO-JCGIZDLHSA-N 412.494 1.175 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1748684358 HQUFBEXJZBNSON-MVZUJROASA-N 422.493 1.124 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)CC1 1748741093 ZZZOJAHBOBQSOE-UHFFFAOYSA-N 411.506 1.898 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ccc2c(c1)OCO2 1748766415 PHTXZKPSMBUZSH-UHFFFAOYSA-N 420.429 1.803 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1CCS(=O)(=O)CC1 1748780622 FCCICECETQDGAP-UHFFFAOYSA-N 416.503 1.611 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1748846119 CWCAKCWXGJGKPD-IAGOWNOFSA-N 410.499 1.429 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1748905485 FNVOICXGZVKFHU-HUUCEWRRSA-N 405.528 1.122 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](C)OC)CC1 1748986686 GUSOCBBAICCNNV-SFHVURJKSA-N 405.506 1.921 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](OC)C2CC2)CC1 1749010714 VTAQFKUYMAFJNL-MOPGFXCFSA-N 415.538 1.911 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1749342276 XVSGLTSOMRHJFS-CVEARBPZSA-N 422.555 1.056 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1750506772 AIMFZVNFHDKAJT-KZULUSFZSA-N 407.450 1.196 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1751019057 SKRQGYDGHYOANB-MDASCCDHSA-N 406.462 1.039 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1760151771 NQLHCOWMVIOQDB-UHFFFAOYSA-N 421.509 1.607 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760157646 WQJLEWFXZKQFFB-UTKZUKDTSA-N 401.511 1.588 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1760238836 MBPJHCPSISMJBP-UFYCRDLUSA-N 418.586 1.488 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(C)COCCO1 1760244970 NDUQTMGWVSTVSK-OAQYLSRUSA-N 400.479 1.845 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)Br)CC1 1760252545 RKTPSQDKFKWNSR-UHFFFAOYSA-N 419.274 1.159 30 10 HDEE CC(C)NC(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1761264582 WQLPBAWSZNZIBB-UHFFFAOYSA-N 411.510 1.390 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(N(C)C)CCSC1 1762606484 HAZSDQMLPNCUGR-FQEVSTJZSA-N 412.567 1.617 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1767241487 CUGOHSTUOHIWHN-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1767611813 ANWBNSQXKCSCOZ-JOCHJYFZSA-N 418.505 1.755 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](F)COC 1767933497 YZJNFVHEDWYODG-INIZCTEOSA-N 403.462 1.392 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1768145318 VQZHKGUNWXDJKS-MBOZVWFJSA-N 407.515 1.718 30 10 HDEE COC1CCN(C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1770617297 GQVCKVUMZKEZLB-SFHVURJKSA-N 402.543 1.849 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1771535794 ZJQILFYSBXIBND-INIZCTEOSA-N 402.499 1.194 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1771537836 WGAHVFFPNFPODS-MOPGFXCFSA-N 424.505 1.260 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](C#N)CC2=O)c1C 1848781020 CTYSADVNFAAWFF-IRXDYDNUSA-N 403.504 1.972 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCN(CCC#N)CC2)c1 1850858815 QCDCWHZOMXNQKC-LJQANCHMSA-N 406.552 1.746 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCn3nnc4ccc(F)cc4c3=O)CC2)cc1 1851376379 AAUXJJGDHKKZHT-UHFFFAOYSA-N 420.448 1.835 30 10 HDEE C#CCOc1ccccc1C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 1852665591 SRBBEWZCNKNJGP-UHFFFAOYSA-N 414.483 1.650 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1 1852906395 KPIIKOSCTFTJAI-CYBMUJFWSA-N 405.418 1.478 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2ccc(OCC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1853789715 MWEOQSARAJKZEC-VQTJNVASSA-N 413.518 1.864 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)CCn3c(C)cc(C)nc3=O)C2)CC1 1855015370 SVEBHLHZKYOAGV-LJQANCHMSA-N 400.523 1.913 30 10 HDEE C=CCN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)C1 1855374294 NGLLABPBKGTDSD-UHFFFAOYSA-N 404.492 1.607 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(Cc4nncn4C)CC3)CC2=O)cc1C#N 1856060705 ZKDXDOCCDRQAII-IBGZPJMESA-N 406.490 1.896 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 1857138606 KZEHMOCZXRPKHA-CQSZACIVSA-N 409.467 1.919 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 1857233249 OGERSQNMIDNKJV-ZWKOTPCHSA-N 411.568 1.464 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487781 DTMJNVGRVYAVEL-ICSRJNTNSA-N 414.554 1.724 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858314014 GQXFABLPOPEBEL-HNNXBMFYSA-N 421.500 1.308 30 10 HDEE CNC(=S)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2C#N)cc1 1858679285 NDEWBDHOHIUJBL-UHFFFAOYSA-N 403.489 1.663 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2F)cc1 1858978104 WHPWVVMWMGILND-UHFFFAOYSA-N 419.478 1.901 30 10 HDEE CCOc1cc(/C=C/C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 1860728778 LHICVFKAUFSEKC-ONNFQVAWSA-N 404.444 1.962 30 10 HDEE COc1cc(Cl)c(OC)c2c(=O)cc(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)[nH]c12 1866522698 UEXPXVCUBMEKIC-UHFFFAOYSA-N 412.793 1.534 30 10 HDEE COCCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933744 ODKJFSRVZHNMAI-INIZCTEOSA-N 405.451 1.238 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN1CC(O)C1 1870647182 VAOWRBNRQWMIIF-UHFFFAOYSA-N 411.458 1.431 30 10 HDEE N#CCc1cccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 1882492211 HWBRYEAXVYQCSS-KRWDZBQOSA-N 417.443 1.442 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Br)nn2n1 2060539771 WLBPFIIKHRWBHM-SECBINFHSA-N 409.244 1.742 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2141609901 GRTCJBZZVZIAHI-MGPUTAFESA-N 422.478 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CN(CCO)S(=O)(=O)CC1(C#N)CCC1 2174785095 VEQAPAMYXKEBMK-OAHLLOKOSA-N 401.529 1.704 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)CC1(C#N)CCOCC1)C(F)(F)F 2174785577 AMZPGIXQEUDJHV-NSHDSACASA-N 415.434 1.682 30 10 HDEE C#CCN(C(=O)[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180137587 NGPYCDLLGKGQAP-LSDHHAIUSA-N 416.565 1.235 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N(CC#N)CCC(F)(F)F)CCS(=O)(=O)C1 2181106882 ARWAIQWJHFJRLB-CQSZACIVSA-N 413.418 1.373 30 10 HDEE CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)[C@H](CC#N)C(F)(F)F 2181107061 CJOPFSNQJHVTCK-QMTHXVAHSA-N 413.418 1.371 30 10 HDEE CN1CCC(CC(=O)N[C@H](C(=O)O)C(C)(C)S)(NC(=O)OC(C)(C)C)CC1 2195307979 KPOWDOIBCZRHHH-CYBMUJFWSA-N 403.545 1.643 30 10 HDEE CCCN[C@@H](C#CP(C)(C)=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2225388671 JSHNOFXWRAEAOD-LSDHHAIUSA-N 406.485 1.876 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379665 NLHJVNVLPJYLMN-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCOCc2ccccc2)n1 2243427472 WEFYYGSIQFUFEV-UHFFFAOYSA-N 421.328 1.214 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247824651 YZDJUMDWBYJLMS-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@](O)(CN)C3)sc2Cl)OC1(C)C 2281979846 GQJQHXRIQIJUKS-KRWDZBQOSA-N 400.737 1.627 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282309638 IRCUDUMOPJUDFZ-LLVKDONJSA-N 422.765 1.489 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282322171 HNHOZATZBSUHEL-RUZDIDTESA-N 406.310 1.388 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](F)[C@@H]2CCOC2)OC1(C)C 2282336547 FVQUBQBCWCRBDV-DGCLKSJQSA-N 405.322 1.700 30 10 HDEE C=C(CS(=O)(=O)N[C@]12CCC[C@H]1CS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282493516 UJUZFJMJXWXYDH-BBRMVZONSA-N 405.347 1.061 30 10 HDEE C[C@@H]1COC[C@@H](C)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282499029 MHHBEUIGRAYJDT-VXGBXAGGSA-N 402.347 1.381 30 10 HDEE COC[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282500794 NTPLRYRDCATFCA-GFCCVEGCSA-N 402.347 1.240 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1O 2282828643 RWYNUFPDCIQFSJ-PWSUYJOCSA-N 402.347 1.021 30 10 HDEE Cc1cc(S(=O)(=O)N2CCOC[C@H]2CF)sc1B1OC(C)(C)C(C)(C)O1 2282832586 BDYPTEZHMFPEMD-GFCCVEGCSA-N 405.322 1.715 30 10 HDEE CC[C@H](O)[C@H](CC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837733 GUSAMZJLPMOCNP-AAEUAGOBSA-N 404.363 1.411 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCCN2)OC1(C)C 2282841411 NYYYTKHTSCTGCB-LBPRGKRZSA-N 401.363 1.004 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1CN 2282853373 BYFPLHFNJDFRNI-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@@H](CN)C2)OC1(C)C 2282856236 PJWOHOYBVAHULB-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284405787 PKWUHXWWUMRSRG-ZYHUDNBSSA-N 401.315 1.282 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1 2330742711 AINAIYLFBLJHSE-UHFFFAOYSA-N 404.496 1.423 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2362723699 CPVLGSJMHXCQNK-BEFAXECRSA-N 400.541 1.619 30 10 HDEE COC1(C#C[C@H](O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363515292 YMLHSMZQUKUONP-HOTGVXAUSA-N 401.525 1.734 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2367792264 MZBGURVLRAAVTC-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)s1 2368344025 VRCMWVYWUHUOBT-JTQLQIEISA-N 402.307 1.353 30 10 HDEE O=C(O)CO[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)c1ncc(I)s1 2368477031 WATBPNHEVJSMPK-JXUBOQSCSA-N 405.213 1.786 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2375783035 YDKFYQUELRRGHU-RDTXWAMCSA-N 402.513 1.372 30 10 HDEE C#CCNC(=O)CN1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC 34793377 WOZOKLYLQYXETK-KRWDZBQOSA-N 421.284 1.925 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 40134743 ALCKHDJHCMJYML-RELWKKBWSA-N 412.475 1.883 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(=O)NCc2ccco2)cc1 48548844 CNSUZEHLDMVCKZ-UHFFFAOYSA-N 406.464 1.524 30 10 HDEE C=CCn1nc(C)c(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1C 59831155 WYZGRAMJFDXDPR-OMCISZLKSA-N 418.512 1.832 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](NS(C)(=O)=O)C2)c1=S 97506669 AYWXRWNWHVWQGC-HNNXBMFYSA-N 408.553 1.633 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2cc(B3OC(C)(C)C(C)(C)O3)c(C#N)cn2)C1 309736800 HLUGYKJTJVFFKE-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@@H]1CN(c2ccnc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)C[C@@H](C)O1 446416696 WCDLMBXCTFLQSW-IAGOWNOFSA-N 406.490 1.924 30 10 HDEE C[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[C@@H]1N1CCN(C)CC1 462086712 WFKLNCRHUALNFR-LPHOPBHVSA-N 408.510 1.629 30 10 HDEE COc1cccc(C[C@@H](C(=O)NCc2ccc(C#N)c(OC)c2)n2nnnc2C)c1 464706680 IWABXBUWBQLUKE-IBGZPJMESA-N 406.446 1.971 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](Cc3ccccc3)CN(C)C)CC2)c1C#N 472110223 IPHZMSSCNJFVKZ-LJQANCHMSA-N 409.538 1.605 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 476221575 KCXIIKDMLFFYJE-LJQANCHMSA-N 400.479 1.496 30 10 HDEE N#CC1(NC(=O)c2csc(S(N)(=O)=O)c2)CCN(Cc2ccccc2)CC1 482657789 LXVDETMVZUUNMV-UHFFFAOYSA-N 404.517 1.684 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(CCO)CCC3)CC2)cc1 493344499 LHLNFRGTVWUYEH-UHFFFAOYSA-N 405.520 1.628 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CC1 502997139 DOPWYPGZUCTINU-OAQYLSRUSA-N 420.517 1.858 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 504822294 RZTXCEBEXGTZCF-UHFFFAOYSA-N 410.455 1.100 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 507472326 ZMSAKBZKBBJNRP-YLJYHZDGSA-N 400.523 1.363 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 521516671 ZMGYTOZBUMSBJZ-HXUWFJFHSA-N 411.506 1.156 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1 522675641 IIYKYEFWUBEWQY-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE C[C@@H](C(=O)Nc1cc(Br)ccc1N1CCOCC1)n1cnc(C#N)n1 540602129 GIQIDHAQCHCDHH-NSHDSACASA-N 405.256 1.949 30 10 HDEE Cc1nc(CN2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n[nH]1 541798859 IKKODFWFSXHIOA-UHFFFAOYSA-N 409.429 1.659 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 544042993 JTGCUUCAAJWUIS-LBPRGKRZSA-N 406.468 1.387 30 10 HDEE COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 545497055 DCOGFDKNMXUBAG-HXUWFJFHSA-N 419.485 1.454 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)n1 546884116 VOOOOTOCHQKFFW-UHFFFAOYSA-N 420.878 1.889 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)c1 559258041 OXZAABMWXZZXDY-UHFFFAOYSA-N 409.414 1.691 30 10 HDEE COc1cc(CNC(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)ccc1C#N 567410168 CHJQSLWTEOEOSW-KRWDZBQOSA-N 408.506 1.972 30 10 HDEE CC(C)Oc1ccc(NC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1C#N 571092221 MQXPYOAZFXDBIF-UHFFFAOYSA-N 409.512 1.691 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CC(N)=O 571950694 HHSWBAFVJVAHSN-UHFFFAOYSA-N 421.522 1.146 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 579743057 NYTOOUFNUOQWQA-UHFFFAOYSA-N 421.526 1.028 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)ccc1C#N 589473396 SNNJTEBGOABMNO-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2ccccc2F)cn1 589488316 WYCRSXBXPAHEEZ-UHFFFAOYSA-N 400.395 1.195 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(-n3cnnn3)c2)cc1 604538334 CVQCMFOQLRSZIQ-QGZVFWFLSA-N 405.443 1.688 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 726574748 MCCHDJLUMNNJCG-HNNXBMFYSA-N 406.511 1.810 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732154079 SFPTVURUNKXGCN-GLEDVZQVSA-N 424.501 1.629 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)cc2C1=O 734294407 NOCGXCPDGLFNLM-UHFFFAOYSA-N 409.423 1.767 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N2C)cc1 734919622 MNDBDCCEFKQDIQ-BSIFCXSSSA-N 401.463 1.812 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 735257061 IEPWFRWLWDPERP-UHFFFAOYSA-N 408.418 1.558 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C(F)(F)F 739751041 KVKXQVIHYMIHEG-CYBMUJFWSA-N 405.398 1.295 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O)c1ccc(C#N)cc1 740198363 FGSRQZCNTALYML-QKAVXHIFSA-N 413.430 1.816 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCOc3ccc(C#N)cc3)C2=O)cc1 741970967 CDKKLRZPODLWID-QFIPXVFZSA-N 406.442 1.829 30 10 HDEE C[C@@H](C(=O)OCc1cc(Cl)ccc1OCC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443264 MWAZCAPUGLFXJR-SKPIDZIXSA-N 418.833 1.836 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757925365 GLPIARIVKMAWQQ-DGCLKSJQSA-N 406.443 1.477 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)ccc1F 760099143 CHIOUBSVXDRWPK-HNNXBMFYSA-N 417.462 1.909 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)COc3ccccc3)CC2)o1 761547426 YGDUNQARPISVEU-OAHLLOKOSA-N 412.446 1.762 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 767538659 KROOHSPWEKGYJW-SFHVURJKSA-N 402.407 1.499 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](c2nncn2C2CC2)C1)c1cc[nH]n1 772230596 MDIYHFPHDXHROP-CYBMUJFWSA-N 415.454 1.026 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 776136913 CZVQWPFWLUQRDS-HNENSFHCSA-N 416.453 1.431 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 777972076 PVECZHYJLGETJM-HNNXBMFYSA-N 420.512 1.609 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1C1CC1 781658331 SDDBTCUGOQMXNM-UHFFFAOYSA-N 410.499 1.070 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2=O)cc1 788113446 LDRAPADXIIPAHF-KRWDZBQOSA-N 406.490 1.610 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)cc1C#N 804310959 ATKKNIHRHAGREH-UHFFFAOYSA-N 416.478 1.699 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCCCSCC#N)C1 805378310 HQRAJSVBZIXREL-CQSZACIVSA-N 401.510 1.882 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816674057 PBSTUOKDYHSNCK-UKRRQHHQSA-N 415.309 1.103 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 914680269 WNQZEVLMFHNWMQ-LSDHHAIUSA-N 403.435 1.558 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccnc1-n1ccnc1 917082016 HLJVOCAMRZNWBF-UHFFFAOYSA-N 424.486 1.402 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)o1 1084127865 YPJTXMHNCVCMDM-UHFFFAOYSA-N 418.487 1.382 30 10 HDEE CN(C)[C@H](CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1133562653 QTYZIFATLHAHFV-CQSZACIVSA-N 406.430 1.491 30 10 HDEE CCCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134645956 ZWDXBAHRTAFGQX-MGPUTAFESA-N 414.487 1.671 30 10 HDEE C#CC[C@H](COC)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1149979476 OWUXLMIJCYTFBR-CYBMUJFWSA-N 403.298 1.272 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCN2C2CCCCCC2)cc1 1152052145 DQYJFQUMZKGUHG-GOSISDBHSA-N 404.536 1.750 30 10 HDEE COC(=O)[C@]1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H](C)c2ccccc21 1159568332 GLPKWIRHSUXRBW-LOMSANBZSA-N 411.458 1.985 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)c1ccc(Br)cc1 1159634255 KUOWRZFEWUPVHA-AWEZNQCLSA-N 408.277 1.857 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)c1 1171862702 PLGBXLZZDWNLID-AOMKIAJQSA-N 413.474 1.606 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCC(=O)Nc1cccc(C#N)c1 1174630288 GJVNKPTYQBMYHY-NRFANRHFSA-N 418.494 1.475 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1196163651 KRFYJWJKCZAXHL-UHFFFAOYSA-N 408.245 1.645 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1196787125 CABLWZZIANLORP-MRXNPFEDSA-N 421.519 1.983 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C1CCOCC1 1199588439 JYAXZHLRLCSQLP-IBGZPJMESA-N 411.506 1.690 30 10 HDEE CCOC(=O)c1c(NC(=O)NCC[C@]2(O)CCCOC2)c(C#N)cn1CCOC 1203101449 CCWBTSBKYUFHPE-LJQANCHMSA-N 408.455 1.236 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2scc(C(C)(C)C)c2C#N)CC1 1205531720 PFMKGEXBRFGOBX-UHFFFAOYSA-N 409.537 1.534 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CS1(=O)=O 1230717043 DDKYLBNZKPOWHC-KDOFPFPSSA-N 418.519 1.884 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC(=O)c2ccccc2O1 1254309747 URYKRWWNHNTPCC-HUUCEWRRSA-N 406.446 1.602 30 10 HDEE C#Cc1ccc([C@@H](OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)cc1 1272444883 WARQIGMCURIMLB-LYHPXFHOSA-N 407.344 1.977 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1286272841 DUJZJSPZFYXAFH-PBHICJAKSA-N 417.897 1.735 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1286385421 XICMIHBAGUXJIZ-MRXNPFEDSA-N 404.492 1.227 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286389513 LGEAHDORDNQVED-MRXNPFEDSA-N 414.535 1.942 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1286456411 QYDCNZYBYOCDAU-QZTJIDSGSA-N 413.453 1.424 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286561624 FONMQEXGQIDGQB-TWMKSMIVSA-N 410.540 1.734 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1286605693 SOWOVSOSJMDOKF-UHFFFAOYSA-N 413.526 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1286785947 VABJSGLOSKIFBC-HNNXBMFYSA-N 422.489 1.738 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CC(=O)NC)CC1 1286788224 SGSWBVSAPWFDMH-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)F)CC1 1286793498 GRGNYBUVNPBIRD-CYBMUJFWSA-N 402.421 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286819392 JFEPTJLOOWLLSG-HNNXBMFYSA-N 422.511 1.416 30 10 HDEE C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)N(C)C 1288624674 GLEGRNSVMIWVIU-HOTGVXAUSA-N 420.525 1.600 30 10 HDEE C[C@H]1COCCN1CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1291309879 OKEMEVMBSCUOLK-DOTOQJQBSA-N 402.524 1.380 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H](C)C#N 1297696208 HMHROBFMFQWTFH-AWEZNQCLSA-N 419.507 1.747 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1297981856 GMZVDCAVIPJBRV-AEFFLSMTSA-N 421.505 1.257 30 10 HDEE CN1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]21 1298201631 WZPZEQSITWAGOQ-WBVHZDCISA-N 404.536 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1300271713 JSQPBORVCUOBIL-GJZGRUSLSA-N 419.551 1.622 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1300466633 YUZLNOSMLNLWSZ-OAHLLOKOSA-N 405.499 1.692 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(O)CC(OCC)C1 1300474976 AEMXDJJGKOMXFQ-UHFFFAOYSA-N 400.479 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1300544827 GZSQNBSLIDERCY-UHFFFAOYSA-N 424.530 1.388 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1300634331 ZDVHGSNHLUYODH-UHFFFAOYSA-N 407.565 1.918 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1300895317 PDKQVTSPIKYKJL-INIZCTEOSA-N 409.556 1.884 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1301467162 MKZDODUNZIIVBL-UHFFFAOYSA-N 409.494 1.012 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(N)=O)c1 1301999933 KJOLVPMORFFUQA-HNNXBMFYSA-N 412.494 1.889 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(OC)CCOC1 1302055237 VZTAKGCTXSLCBY-AHRSYUTCSA-N 407.515 1.938 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1302456945 GQAAOHLEPFOQPS-JWTNVVGKSA-N 415.519 1.459 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302510863 KCWZZEMIPZHNIZ-AAZYKMFZSA-N 415.519 1.785 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1303633007 AYSLZPRKCLVBEE-AWEZNQCLSA-N 410.457 1.986 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)C[C@@H]3COc4ccccc4O3)C2)nc1 1309542030 GNVPVWPZZGHVKR-HOTGVXAUSA-N 401.444 1.576 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@@H](C)C(=O)NCCCC)CC1 1324408569 VJVYTLMUFWBQMZ-MLYQTUFZSA-N 401.551 1.641 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(CC(F)F)CC2)c1 1357767151 LNMVHQJKDAZHPW-UHFFFAOYSA-N 419.472 1.837 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1358937180 LKKAVMRQFCYEML-UHFFFAOYSA-N 413.478 1.012 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1358967293 HKSSRLLKSGEMFL-MRXNPFEDSA-N 408.549 1.860 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCCn1cnnn1 1358982346 SUEGCRHHBLRPKB-UHFFFAOYSA-N 404.478 1.624 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCOCC1 1358999351 OFENMDAQYMSAOJ-PMACEKPBSA-N 415.538 1.187 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC12CCOCC2 1359018066 BTEYJZDHUZWLOD-QGZVFWFLSA-N 424.505 1.828 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359055701 MXYPOAKUGQXTIF-INIZCTEOSA-N 416.551 1.679 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359121444 PNBVAFHWEZKIJE-GJZGRUSLSA-N 400.487 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCSC1 1359333974 PQXACVMJBSHLAV-INIZCTEOSA-N 407.565 1.806 30 10 HDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1360562988 HIGMBTMECXLPBI-IEBWSBKVSA-N 424.553 1.715 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)C[C@H]2C)C1=O 1450265748 QXBRTNJFYMCSHW-CYBMUJFWSA-N 404.854 1.354 30 10 HDEE C=CCC1(O)CN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)C1 1455682513 RIJAZBVJMFKBTE-UHFFFAOYSA-N 403.298 1.219 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(O)(COCCO)CC2)CCCN1C(=O)OC(C)(C)C 1455923344 DQOGOYJMCSIJKY-NRFANRHFSA-N 412.527 1.695 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@H]1C(=O)OC 1457150086 ZEQPZFGMVLYXKD-IAGOWNOFSA-N 415.446 1.134 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)C1=O 1457228856 LMPAMCCJHBSUFL-MHZLTWQESA-N 403.338 1.229 30 10 HDEE COC(=O)c1ccc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c(C#N)n1 1458313583 BOEJHPKQMXDDDB-ZDUSSCGKSA-N 406.398 1.241 30 10 HDEE CC(C)[C@H](NC(=O)c1sccc1CC#N)C(=O)N(C)Cc1nnc2n1CCC2 1459751586 GLBZBBVWFHZYMC-INIZCTEOSA-N 400.508 1.765 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC2)c(C)c1 1459880852 MPSOVLLSDAHOMU-HXUWFJFHSA-N 406.552 1.664 30 10 HDEE CC(C)N1CCC(NC(=O)CN2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1459930551 GTQMJYMFRSUTIY-NRFANRHFSA-N 401.530 1.997 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc4cncn4c3)CC2)cc1 1460744751 LPQLWWXJCRKPCX-UHFFFAOYSA-N 423.498 1.923 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460823130 GZOJGMCBFADFJW-DOXZYTNZSA-N 404.467 1.331 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(OC)cccc2OC(F)(F)F)CC1 1463596570 KQVDKPOFYYSTII-UHFFFAOYSA-N 420.409 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCCNc2ncccc2C#N)C1 1464507894 MDKRJPWVVNMOPV-FQEVSTJZSA-N 419.457 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCCNC(=O)CCn1cc(C#N)c(O)nc1=O 1468135728 LZNLBOAOMOHWPF-OAHLLOKOSA-N 419.482 1.507 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C1CCOCC1 1468209266 PICKGAUUCZXJMT-LJQANCHMSA-N 407.536 1.943 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(CCO)(CCO)CC3)C2=O)cc1 1469765557 WKVULWZRWMTACC-IBGZPJMESA-N 414.506 1.610 30 10 HDEE COCCN(C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1470982710 AXDUQSPCECOMDM-GOSISDBHSA-N 420.535 1.372 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)c1 1471763168 OXTJBEZONIZNRL-UHFFFAOYSA-N 421.500 1.115 30 10 HDEE COC(=O)C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 1471909157 LARBOOHBLBVXSC-HNNXBMFYSA-N 407.492 1.353 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1504801114 VFIKIXANOLYTHL-LJQANCHMSA-N 412.494 1.585 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCOCC1 1504885984 AMYSGCJJEQOCFW-UHFFFAOYSA-N 416.530 1.156 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(=O)NC1CC1 1507517748 JJFDMWONIGXPGI-IIBYNOLFSA-N 403.527 1.835 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1C 1507564576 SLLDQURAOGKFBL-ULQDDVLXSA-N 409.556 1.649 30 10 HDEE C#CCCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1507571425 ALUHZVFDSGDFIH-FGTMMUONSA-N 417.554 1.951 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507590164 WUBPPYMLNNXAQA-QFIPXVFZSA-N 405.506 1.892 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N1CCOCC1 1507596926 RIBOVKCESDXCJT-HXUWFJFHSA-N 422.533 1.657 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1507678274 FXDWVKKQKCJZRH-LPHOPBHVSA-N 410.540 1.213 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCCCC2=O)CC1 1507731536 KZQBSOIPYNMLPE-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@H]2C)CC1 1507736343 IYFILLZZGBVRKH-MJGOQNOKSA-N 422.533 1.979 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507794275 DXAIJYLJOREYLX-QRVBRYPASA-N 402.543 1.311 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS(=O)(=O)C1 1508040340 RNKGSXFEMDXCMS-OAHLLOKOSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508129244 AXLRKBUMEPGDTB-TXPKVOOTSA-N 412.556 1.775 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@H]1C 1508417217 YROCNTXOQHXXOQ-BIENJYKASA-N 400.439 1.989 30 10 HDEE COCCOCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C#N)C1 1519415847 UWIWHAVYVIQBIM-LJQANCHMSA-N 415.494 1.866 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1ncn(C)n1 1519427295 CCEUATPZACXXKS-RDJZCZTQSA-N 400.487 1.309 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCOCC(F)F)CCN1C1CC1 1521138132 ZEIWQNKCBIMKMP-QGZVFWFLSA-N 417.464 1.722 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2ccc(C(N)=O)nc2)c1 1525780925 HOVUPYLPUTZHOH-HAVVHWLPSA-N 415.475 1.175 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N(CC#N)c2ccccn2)C1=O 1530819456 AFDRQPNYMVCTPY-NRFANRHFSA-N 407.430 1.722 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1nccs1 1532068800 XFETULUOQQJAKP-UHFFFAOYSA-N 409.464 1.583 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@]2(C3CCCC3)CCNC2=O)c(C#N)cn1CCOC 1533738247 IHFNXQAHTWLDDB-NRFANRHFSA-N 416.478 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)CC(F)(F)F 1538972737 LJYVPIDAVTWYGF-QWHCGFSZSA-N 424.493 1.230 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1nnnn1CC1CC1 1539022635 QBNJYALHPXXTCK-HNNXBMFYSA-N 406.494 1.780 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCOCC1 1539024906 BDZAYOKKSLKTIW-QZTJIDSGSA-N 402.543 1.215 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539085861 SHMAKUAGKGUBIF-BMFAXAFESA-N 401.511 1.520 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@]34OCCC[C@H]3C4(F)F)C2=O)cc1 1539451402 WQKQCCNWJBWXNE-CLCXKQKWSA-N 418.400 1.694 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1539453180 GDRXYGCPROIEDZ-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C=CCCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1540012958 ZWNBAGXHUCNDNJ-SFHVURJKSA-N 423.583 1.828 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)C1 1540879837 PKRNFAGXWBOAHJ-UHFFFAOYSA-N 412.494 1.308 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1540907224 PEGTXVHSFZRATK-IAGOWNOFSA-N 418.567 1.975 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CCN1C1CC1 1544372041 ROWMESWEAFURCO-ZBFHGGJFSA-N 404.264 1.729 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1555269774 PUTPGENYVFKFRQ-YLJYHZDGSA-N 401.442 1.797 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1C[C@H](O)[C@H](O)C1 1558438500 VVIAUUCRLRWNIO-OWLYRPNTSA-N 401.463 1.393 30 10 HDEE N#Cc1ccc(CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c([N+](=O)[O-])c1 1560034960 ISPDKIVNEPKQKH-UHFFFAOYSA-N 401.448 1.436 30 10 HDEE C#C[C@H](NS(=O)(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 1561601329 KYFAKDPAWATDKA-HNNXBMFYSA-N 415.309 1.797 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@@H]1CCCO1 1562645993 HECYZUPPJKDZHV-WBVHZDCISA-N 407.492 1.232 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1565629929 MSHUKVCRHXUDPC-DCOQFNDQSA-N 406.483 1.666 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 1565815716 PAFAFDZALATTPL-PMACEKPBSA-N 406.486 1.746 30 10 HDEE C#CCC[C@H](O)CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1568081482 GKWQTBVXTRIYEN-HNNXBMFYSA-N 413.515 1.639 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc4cncn4c3)C2=O)cc1 1584524534 ZSJAMKUEHGSKTF-SFHVURJKSA-N 402.414 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1587549822 CMJXTAJGVRLRCA-INIZCTEOSA-N 404.478 1.601 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1587766738 YGQKMUGXVSNTAC-KRWDZBQOSA-N 404.540 1.837 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588029011 BYPHNARVIJDNBM-BEFAXECRSA-N 410.540 1.008 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1588079248 UJUJAXJIWWJNKL-UHFFFAOYSA-N 422.489 1.441 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@H]1COCCO1 1588258872 KMFWSHBWITVUJX-FHWLQOOXSA-N 402.495 1.271 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1588388221 YZYROESUNOJLDR-OAHLLOKOSA-N 415.585 1.214 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1588975575 HFWRICBRMQGHPI-OXJNMPFZSA-N 421.567 1.557 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cnccn2)CC1 1589571106 XTEJWVDPAQMSAN-FXAWDEMLSA-N 413.526 1.912 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1594096494 BYOLNPGWUABPCO-KGLIPLIRSA-N 402.467 1.761 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1594922847 CSIUTBVCHKBMOG-OAHLLOKOSA-N 405.524 1.857 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)CCCNC(=O)C1CCC1 1595387239 WLNJUMGBCBINGT-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1595545005 PJWDWHAZVOCCBT-MRXNPFEDSA-N 416.526 1.066 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)CC)C1 1595722670 MSYGIAISXPRBDS-CVEARBPZSA-N 413.544 1.240 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1595761077 XHDNKKAVXWXHEL-UHFFFAOYSA-N 407.544 1.510 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC(=O)N1C 1612912566 YFCUZVDMYZCHOD-RHSMWYFYSA-N 421.505 1.398 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1614079746 HJXLGUVIUORJLK-GOSISDBHSA-N 412.494 1.606 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)Cc1cccc(OCC#N)c1)CCS2(=O)=O 1616811023 QUKCWTLWPKBPRU-LFDOHDQPSA-N 420.487 1.147 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnn(C)c2)C1=O 1618455541 BGNVYIKOZUECME-OAQYLSRUSA-N 404.478 1.665 30 10 HDEE CS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1620164925 AIJVDZAGZVCCJM-UHFFFAOYSA-N 414.535 1.394 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1624379911 HBOFXVSQOPDMIR-IBGZPJMESA-N 412.469 1.985 30 10 HDEE CCOCCOC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1624871896 PFUSZZMVJLYLPO-HNNXBMFYSA-N 409.508 1.269 30 10 HDEE COCCCNC(=O)CN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1625786206 CXGKLBBUAQXNRN-UHFFFAOYSA-N 423.311 1.368 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1628508387 QIVJNTQQJQQJPB-LBPRGKRZSA-N 403.298 1.204 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1628632483 MUVNNJSHDUSMCO-HOTGVXAUSA-N 405.882 1.840 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)o1)S(C)(=O)=O 1628895105 LPOLPZWAKQFCBL-HNNXBMFYSA-N 417.491 1.372 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1 1629725806 DHCXVUDCTKMEQO-WBVHZDCISA-N 404.492 1.535 30 10 HDEE C[C@@H](CN1CCOCC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1630027354 UNDFLVBUYDYDIE-CLIJALBYSA-N 406.527 1.610 30 10 HDEE COC(CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)(OC)c1ccccc1 1630854655 RHCCHFMSBSTZCP-HNNXBMFYSA-N 417.487 1.487 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(Cl)nnc3C2)cc1 1630988788 DUPSIMYGWGMMJX-UHFFFAOYSA-N 405.867 1.520 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C(=O)NC)(C(F)(F)F)C1 1631935622 NBXUCXUIMVZCFX-SJCJKPOMSA-N 405.417 1.820 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(O)ncc(Br)c2C)n1 1634602100 WFLANSYCXJCUBW-UHFFFAOYSA-N 407.268 1.977 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(Br)c(N)c([N+](=O)[O-])c2)CC1 1635347260 YCAWIXREAZHSCO-UHFFFAOYSA-N 411.212 1.858 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1637390750 XPBYBTOVPIGCQG-YESZJQIVSA-N 405.499 1.461 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCC2(C#N)CCCC2)cc1OCC 1640673012 ZPJDYHITWRPABT-UHFFFAOYSA-N 409.508 1.962 30 10 HDEE C=CC[C@@]1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1643396960 RUSSPQVTKXKELD-HBMCJLEFSA-N 405.495 1.843 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1c(-c2ccc([N+](=O)[O-])cc2)noc1=O 1643675728 HMFKRVXNTAOOQX-UHFFFAOYSA-N 404.338 1.711 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1644153316 KLRWSTDKJJUQHN-LBPRGKRZSA-N 422.279 1.189 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCS(=O)(=O)C(F)(F)F 1645268486 QFBCVAJSAPGVFX-UHFFFAOYSA-N 415.187 1.750 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1650972099 IMHDPBVJWKHHRU-GJZGRUSLSA-N 416.927 1.854 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN[C@]2(CO)CCCN(Cc3ccccc3)C2)nc1 1655556909 GSLBRVZWISFNIM-OAQYLSRUSA-N 414.531 1.344 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 1662956897 DOMYWMOYARGXCM-VKJFTORMSA-N 400.545 1.949 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OCC 1663904942 GMKGVAUHXVSZCP-ZDUSSCGKSA-N 408.473 1.373 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1671562064 NYUNEAXDOXJSEZ-UHFFFAOYSA-N 401.492 1.725 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[C@H](Oc3ccc(C#N)cn3)C1)CCO2 1676004789 LPRNDMJUEZANQD-GWWPLSDWSA-N 414.462 1.617 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1681515011 FAAXBNQNCQWICQ-QWHCGFSZSA-N 420.338 1.911 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 1682226124 CMPOGUXBNCXBGM-NNIGNNQHSA-N 410.474 1.546 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)nn1 1686390339 ITBMBIANSLYZAQ-UHFFFAOYSA-N 417.413 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1689827062 ZDRKYOMCMLGYJL-LSDHHAIUSA-N 405.524 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1689848370 UECSRXZKTOFRJJ-HNNXBMFYSA-N 421.505 1.611 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCn1c(O)nc2ccccc21 1690082971 VLKCJGPAHBVOCJ-UHFFFAOYSA-N 407.478 1.616 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCN1CCN(C)C(C)(C)C1 1690097099 AQVCULQKNDMRNW-UHFFFAOYSA-N 414.554 1.959 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(O)CCN(C(C)C)CC1 1690103229 BECDPRHPQBYTNU-GOSISDBHSA-N 405.543 1.103 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690105160 VPCKASUVFPEWOY-IRXDYDNUSA-N 409.556 1.131 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690124110 FNJJRSSIJZDNNH-VQTJNVASSA-N 414.554 1.186 30 10 HDEE C#CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OCC)CCOC1 1690185615 BFYNSNWVEZPTSJ-LJQANCHMSA-N 417.539 1.217 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1690188990 RWSOXMRIFJRABD-RVHYNSKXSA-N 410.478 1.457 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1690484624 AIGUTAGIFBZXJE-SJORKVTESA-N 409.556 1.814 30 10 HDEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1690599142 NOZYFXDQXALJLC-OAQYLSRUSA-N 416.547 1.791 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690646489 SMMBBFZEGPPTRZ-SFHVURJKSA-N 409.538 1.583 30 10 HDEE C=CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@]1(OCC)CCOC1 1690653611 YOGPEIZXRQWNRD-NRFANRHFSA-N 409.494 1.709 30 10 HDEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1697139482 HHMWCACTMFEMOC-OLZOCXBDSA-N 402.421 1.964 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCn2cc(CO)nn2)c1 1705506598 CAGBSVDHSKGVKO-UHFFFAOYSA-N 422.493 1.071 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705524538 NZKPEURZFOXFRM-JKSUJKDBSA-N 424.571 1.187 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCOC[C@H]1OC 1705584682 UBHGEWUAGWIKFE-UYAOXDASSA-N 418.501 1.641 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)C(=O)C1 1705679444 OBKUIFXLPCBVHP-UHFFFAOYSA-N 423.315 1.234 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705693782 KILYWBSFZCOQBU-DTRVGAPLSA-N 417.554 1.995 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705728916 CHAUGBVXNWKBHG-BBTUJRGHSA-N 405.543 1.879 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705757966 FQPGIEXFCVGWKG-MRXNPFEDSA-N 419.917 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](OC)C1 1705900421 CRIGUGUBLFKHQZ-SFHVURJKSA-N 407.478 1.658 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@H]2C)C1 1705928878 IOCAHHVCARKWMN-FGTMMUONSA-N 403.527 1.854 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C1CCC1 1719835032 VIICQFSAJSTJTJ-WKULXVSPSA-N 402.539 1.935 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1722324457 SBQSXSTZXFASHP-RWMBFGLXSA-N 423.461 1.458 30 10 HDEE C#CCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722339134 QIXNFTSRKJCJNW-LEWJYISDSA-N 401.511 1.591 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722341535 YVTVHYABMDAYFG-UGKGYDQZSA-N 419.570 1.889 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-c1cnn(C)c1 1722357311 YALGINHIVYXSDH-UHFFFAOYSA-N 403.490 1.919 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CC1 1722373607 KTKRXPFALFDQOU-WTYVLRPYSA-N 404.536 1.303 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1722384954 WFGDICLHYFVHHS-GOSISDBHSA-N 403.446 1.533 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722391967 ACFYKTTZCFILPB-SFHVURJKSA-N 420.473 1.405 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC 1722396094 FTMCKHBWYSLOOX-SFHVURJKSA-N 405.568 1.375 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722537233 VSNSNWPTXKXWRN-UZLBHIALSA-N 407.515 1.190 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722542999 DAZXISWIVOTAQH-ZDUSSCGKSA-N 424.914 1.691 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1722564711 DIIFKGCXQCJMKW-CVEARBPZSA-N 424.496 1.742 30 10 HDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722578905 CIBLTANAONVGGX-OAHLLOKOSA-N 420.926 1.892 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722598335 DJFQGXLPVREFPB-MRXNPFEDSA-N 424.509 1.838 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722694068 KOCJCVDDOMMIOB-GCKMJXCFSA-N 415.494 1.921 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722709252 LQWHIKKEWCWMIW-DVEDPGPFSA-N 414.510 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCS[C@H](C(C)C)C1 1722731508 MNMNQTKPBLHAFW-HNNXBMFYSA-N 402.586 1.993 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1730953757 ALQZRNVTCVCEHT-QTMHVTGLSA-N 419.526 1.792 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1731183697 VGALHEGYDCJLIB-YRNRMSPPSA-N 403.433 1.990 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1740599061 ODKPXIUUCDDOJY-UHFFFAOYSA-N 416.507 1.352 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCCN1CCOCC1 1740655014 VLLVOGKLOOOSRE-UHFFFAOYSA-N 406.534 1.839 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCC[C@@H](C)C1 1740688734 UOWHPNVCFBZYRD-GOSISDBHSA-N 413.570 1.958 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740810669 DZHNPWMOYIANGR-WOPDTQHZSA-N 402.860 1.047 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740866566 HYAUFNSORPXEND-UHFFFAOYSA-N 406.531 1.745 30 10 HDEE C=CCCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740881801 QYKZEHBEPJGIEZ-GASCZTMLSA-N 404.515 1.951 30 10 HDEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1742469774 FZZKFDWCFZYRHQ-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1748698389 GVIHMSYALFMQFP-AHRSYUTCSA-N 421.567 1.699 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748710541 SQAIXFKTPALDPU-ROUUACIJSA-N 411.510 1.443 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748811646 JSVYNOIKSMPOJL-DLBZAZTESA-N 417.535 1.337 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)C 1748868651 CSNHDELQMJJMEN-UHFFFAOYSA-N 403.284 1.587 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1749115796 WCKFKPWREJWDBS-YESZJQIVSA-N 416.526 1.197 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749128480 WPCDGOMETDJTQO-PVAVHDDUSA-N 420.539 1.283 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1749595832 KPJPRTCVXSJSND-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1750387133 RIRMFSYHAUKLKG-UKRRQHHQSA-N 414.432 1.885 30 10 HDEE CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1750711727 XMWJPOOIWPVPEB-FMQUCBEESA-N 416.526 1.866 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2nc(C)no2)n1 1751844901 HHTZNNMTJJAEKE-IBGZPJMESA-N 413.461 1.906 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1760114947 VYOIMDORTYKFGP-HUUCEWRRSA-N 404.515 1.944 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1760124035 NUXSLSSHMRNITH-CYBMUJFWSA-N 411.915 1.518 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1760190036 XLIKHINKCMJENG-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1760233876 QFKQSHLZYGMBPM-AWEZNQCLSA-N 423.926 1.767 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760449581 OFRCRMDCNJXCSP-LAUBAEHRSA-N 418.542 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](COC(C)C)C2)nnc1C(C)(C)C 1760558376 NFZFFOCVYNZYHX-INIZCTEOSA-N 414.572 1.807 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760844042 OWMOQRBQEARFJQ-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1761237782 BFVKLEIYQZBVGQ-CQSZACIVSA-N 419.873 1.272 30 10 HDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1766300361 DSAPNSBPSOJXRB-UHFFFAOYSA-N 403.575 1.971 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1=CCCOC1 1766408571 GJFAYMICPOQWQW-INIZCTEOSA-N 424.509 1.538 30 10 HDEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1766551597 DPZHTYYQBGVSSN-UHFFFAOYSA-N 409.494 1.402 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1768634668 UMWAOIMFSUGJDV-KSZLIROESA-N 410.478 1.277 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1769463242 GGPHBEANZNNTKG-HNAYVOBHSA-N 406.462 1.702 30 10 HDEE CO[C@@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1769603835 DQSVNZFVXBEBGM-STQMWFEESA-N 400.405 1.937 30 10 HDEE COCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769666460 URRLJDHSSFONGE-UHFFFAOYSA-N 419.493 1.755 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1769982945 CAYOJWGSEIULBT-KUHUBIRLSA-N 419.507 1.099 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1770746512 AVBAASJYZAMHRY-ZANVPECISA-N 424.358 1.563 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1848720290 XPIGSZLKWARHGE-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCn3nc(-c4cccnc4)ccc3=O)CC2)c1 1848959016 LCDQQBAGYPDVQM-UHFFFAOYSA-N 414.469 1.916 30 10 HDEE Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NCC#Cc4cnn(C)c4)C3)nc2)n1 1850446771 IJFPWVVPLJLADI-SFHVURJKSA-N 405.462 1.558 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 1850463364 QBDOFFGOODEFMI-AWEZNQCLSA-N 416.421 1.218 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3COc4ccccc4O3)c(C#N)cc2C#N)CC1 1851526844 YNLDOOQHMUAGQI-SFHVURJKSA-N 404.430 1.355 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CO2)nc1 1851783179 SZHIDPMCTFRYQE-DYVFJYSZSA-N 414.368 1.948 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)CS(=O)(=O)c3ccc(Cl)cc3)CO2)nc1 1852706571 RJHWKLKQZORFAC-AWEZNQCLSA-N 407.835 1.744 30 10 HDEE CN1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2cccc(Cl)n2)CC1 1852944747 NGSWCFLETCNZCW-UHFFFAOYSA-N 401.858 1.285 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1F 1854400868 DIBGWIVRZOUULJ-UHFFFAOYSA-N 409.439 1.285 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2C[C@H](C3CCN(CCCC#N)CC3)CC2=O)C1 1855060977 SJDNYZOBKDELND-QZTJIDSGSA-N 404.511 1.856 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(Br)s3)C(=O)C2)C1 1855073320 YLQJFUWNXYBGBU-LBPRGKRZSA-N 411.325 1.783 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855666459 BJBSJTJPZYTILM-CHWSQXEVSA-N 421.391 1.446 30 10 HDEE COCC(=O)N1CCCC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1855772049 XSVGXMKDBAAQEH-SFHVURJKSA-N 404.511 1.015 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1856497270 ZNYNAKZBKAKPOX-KRWDZBQOSA-N 404.492 1.058 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@@H]3COCCO3)C(=O)C23CCCC3)cc1 1856608419 HWYYHOCRZSETKW-IBGZPJMESA-N 411.458 1.140 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cncn1 1857250667 RPGGVESRHZAAAS-HZPDHXFCSA-N 407.478 1.360 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1861536129 IPVGNUXVIJADQB-SFHVURJKSA-N 417.487 1.407 30 10 HDEE CSCC[C@@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866586099 IKAFDFUJGCMJRE-GDBMZVCRSA-N 409.533 1.559 30 10 HDEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCN(CCO)CC1 1870419016 KYDQTCXEGHYHLD-UHFFFAOYSA-N 421.538 1.256 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1984026674 UQFRFSZKSLZYQC-IJLUTSLNSA-N 411.318 1.449 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 1986342874 MBACJNKUWSZWNM-UHFFFAOYSA-N 410.320 1.955 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010401641 GLFNLWVKELQEFA-GJZGRUSLSA-N 423.363 1.994 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cnc(C#N)cn1 2050129521 YAHKONJXCMCIFI-QGZVFWFLSA-N 403.395 1.114 30 10 HDEE C=CC1(NC(=O)c2nc(S(C)(=O)=O)ncc2Cl)CN(C(=O)OC(C)(C)C)C1 2196122740 QOHKGVPQWDIKDV-UHFFFAOYSA-N 416.887 1.439 30 10 HDEE CC1(C)OB(c2nc(NC(=O)[C@H]3CCCS3(=O)=O)ccc2Cl)OC1(C)C 2241113477 OZIFJWVCSHTQPQ-LLVKDONJSA-N 400.693 1.550 30 10 HDEE CC[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247923066 RXULAQIZECJIKO-CQSZACIVSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[S@](=O)CC2)OC1(C)C 2267371948 HPQNPTMZANZUSG-DEOSSOPVSA-N 405.372 1.190 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)c3cnnc(Br)c3)nc2)OC1(C)C 2274073494 OLAGMHSPYVAPRW-UHFFFAOYSA-N 406.049 1.581 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282022116 RAAFDEJPUICHAO-UHFFFAOYSA-N 402.347 1.257 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282312748 ARAXZHBTFPQSMT-VWLOTQADSA-N 405.322 1.172 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(N(C)C)C1 2282326877 ZMAYUOPZSLXQBR-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE CN1CCC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282331970 UKOBYVDFDNOEED-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CN(C)C 2282416591 YAHLJIFCCZTAAR-ZDUSSCGKSA-N 402.391 1.664 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282420536 AQONESGWDRFHNX-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282503427 ZWELAVLLMZIGKV-OCCSQVGLSA-N 401.359 1.580 30 10 HDEE COCCC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282510074 UHBXVNCBPOXHQK-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282664828 HZLAPWUKVDGMAG-RYUDHWBXSA-N 401.359 1.941 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[S@](C)=O 2282835721 YEBIGWIOIDCRQC-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE COC[C@@H]1C=CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836675 NKUOEITWOYTJJG-LBPRGKRZSA-N 400.331 1.159 30 10 HDEE CC(C)(O)COCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848671 QJECUKPFJGUNOG-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE CS[C@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282856757 XQALHWQSCIKMMF-TXEJJXNPSA-N 401.363 1.139 30 10 HDEE CN(C(C)(C)CN)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869362 BRTHVSNPMPNQPC-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE Cn1ncc(C(=O)N2[C@H]3CSC[C@H]2CC(=NO)C3)c1I 2296343200 HGPLAUGDNKJXDJ-RKDXNWHRSA-N 406.249 1.575 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535128 SLHLBEWJZDDFGO-AEFFLSMTSA-N 424.354 1.970 30 10 HDEE Cn1c(C(=O)O)c(C=Nn2c(S)nnc(CCC(=O)O)c2=O)c2ccccc21 2321663868 FOJLTZSRELQIBW-UHFFFAOYSA-N 401.404 1.016 30 10 HDEE Cc1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)o1 2322659696 SLNVKCZJBGBZRR-SNVBAGLBSA-N 415.269 1.713 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2342068293 DBXQTRSJVPTZSL-OPYAIIAOSA-N 420.531 1.365 30 10 HDEE CCN[C@H](C#Cc1nccs1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363533338 JOBZQXFIHVBILC-HUUCEWRRSA-N 413.565 1.897 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365192174 ATFUFSSJROMJNT-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)CCOCCF)s1 2365573785 RHSLFOQYDVPVMQ-UHFFFAOYSA-N 407.338 1.761 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2367048292 JVPXPZVFMLEYQZ-CAOSSQGBSA-N 402.557 1.455 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2367790936 IFNRCGLKPJNMJL-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367795779 GEDQZMIPXVXZOZ-QGZVFWFLSA-N 403.497 1.730 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367818256 MIKGLCOLRPHDBK-BEFAXECRSA-N 400.541 1.307 30 10 HDEE Cc1ccc(I)c([C@H](C#CC2(S(C)(=O)=O)CC2)NN)c1 2367836121 HOLIBQSLFXPRHR-ZDUSSCGKSA-N 404.273 1.685 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)ccc21 13794948 PJQVHECABLRODH-IJYGLTAASA-N 407.517 1.586 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccsc3)CC2)cc1 46907383 BAKTUBGETLOETJ-UHFFFAOYSA-N 404.517 1.878 30 10 HDEE COCCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(C#N)cc1 54252594 IRDUNJUPWAOTOF-UHFFFAOYSA-N 403.460 1.843 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 238896513 RCGNMTHVPYZZCE-HNNXBMFYSA-N 419.441 1.794 30 10 HDEE Cc1ccc(C(=O)N2CCC3(C2)Oc2ccccc2O3)cc1S(=O)(=O)NCC#N 426468186 LVBXLBXPVCOVAM-UHFFFAOYSA-N 413.455 1.811 30 10 HDEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c2)CC1 427785669 QFBQCSHJXZESDX-UHFFFAOYSA-N 416.478 1.815 30 10 HDEE CC1(C)C(=O)NC(=O)N1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 467988862 AKIXMUSQZVFMMQ-UHFFFAOYSA-N 416.488 1.971 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473582764 MQPGSHOFVOOREM-NQIIRXRSSA-N 414.893 1.662 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)cc1 478138932 RMQAXORTLXJATK-UHFFFAOYSA-N 417.462 1.994 30 10 HDEE C=CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 480925816 JPSFEASMMSZWPZ-UHFFFAOYSA-N 412.455 1.918 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)c(F)c1 481064392 WVVUEUSZOGWJLO-QGZVFWFLSA-N 417.462 1.797 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc3c(s2)CCOC3)CC1 482019354 YPJIOZAIKNYWEF-UHFFFAOYSA-N 417.512 1.839 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@H](C3CC3)C2)CC1 485845409 QPYICDLTINOXDF-GOSISDBHSA-N 411.462 1.566 30 10 HDEE COC(=O)c1cc2c(cc1NC(=O)N1CCN(c3cccc(C#N)n3)CC1)OCO2 487020861 QMERGXWUXYXOIT-UHFFFAOYSA-N 409.402 1.823 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1C#N 489878666 JARZOFYGNOKQAP-UHFFFAOYSA-N 420.516 1.259 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cscn2)CC1 494962643 VZACOCHSVPMIPB-UHFFFAOYSA-N 405.505 1.273 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502034282 SPFAXBULTFSUBE-RBUKOAKNSA-N 410.499 1.435 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)ccn1 504833116 FGFPOMVMSDRQOY-NRFANRHFSA-N 403.486 1.902 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCCOc3ccc(C#N)cc3)no2)cn1 508330295 HEWOZJPIEPQZDX-KRWDZBQOSA-N 423.433 1.504 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508465527 QLFNDSVKDXZIMF-SFHVURJKSA-N 420.395 1.882 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)c1 513784272 OGDLKTSYKCHUES-NRFANRHFSA-N 409.467 1.811 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 516765151 MIPYBOOHQIFTAM-INIZCTEOSA-N 419.478 1.364 30 10 HDEE CCc1cnc(N2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)s1 538148725 CBHMOJHBHPHELL-GOSISDBHSA-N 404.584 1.520 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 541760842 UZAGWUHNKVXVDM-JTQLQIEISA-N 404.275 1.755 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 546925256 GJZVOICWLSTNKS-UHFFFAOYSA-N 400.464 1.263 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(Cl)c1 554911162 SZXRWNQJKMELOJ-UHFFFAOYSA-N 403.913 1.400 30 10 HDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)ccc1C#N 574805152 UMYBAPMMEVEYJI-QGZVFWFLSA-N 413.522 1.795 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c(F)c1 586863681 XHIJNPZFNBWZLW-UHFFFAOYSA-N 400.370 1.282 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccnc1C(F)(F)F 588119535 KMFUDGQYMVVBPP-NSHDSACASA-N 412.397 1.661 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 588901166 NYCRHNZWKNGSRN-MSOLQXFVSA-N 411.483 1.897 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C 603798692 DKLMJQXACXAGEQ-UHFFFAOYSA-N 409.467 1.066 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3cnccc23)c1=O 611916038 CIOMCWKXVCHVDB-UHFFFAOYSA-N 406.511 1.896 30 10 HDEE COCC(=O)N1CCc2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)ccc21 614611493 HMNSYZPBIIKFAL-UHFFFAOYSA-N 410.405 1.488 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H](CO)c2nc(-c3ccccc3)no2)c(F)c1 616419000 FVDQQLUWJIPSBW-INIZCTEOSA-N 402.407 1.900 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](COC)C1 685547071 LMDTZRMOGOKWAD-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cscn2)C1=O 726400840 MGSZICNMDVEMPH-CYBMUJFWSA-N 403.489 1.510 30 10 HDEE C#CCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)[C@@H]1CCS(=O)(=O)C1 729334157 JMLLEMRAETVSSP-QGZVFWFLSA-N 416.524 1.941 30 10 HDEE CCS(=O)(=O)NCCOC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 731694028 MYQVRLHUNKHRAL-UHFFFAOYSA-N 413.399 1.252 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCN1C1CC1 732707251 XUZRXYMJALPXII-OAHLLOKOSA-N 415.881 1.604 30 10 HDEE Cn1cc(S(=O)(=O)NCC(=O)NCc2cccc(-c3ccc(C#N)s3)c2)cn1 739749170 IFTZSNLFFJZLQF-UHFFFAOYSA-N 415.500 1.615 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 746276223 SSJWPVWPYNQSKZ-UHFFFAOYSA-N 410.474 1.344 30 10 HDEE COC(=O)[C@@H](OC(=O)COC1CN(C(=O)OC(C)(C)C)C1)c1ccc(C#N)cc1 750958166 QJGUNGBWXQKHPY-KRWDZBQOSA-N 404.419 1.951 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnc([C@H]3CCCO3)s2)c(=O)n1C[C@@H]1CCCO1 755624236 IANGFGNDTYNCAK-DZGCQCFKSA-N 414.512 1.423 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCC2CCC(C#N)CC2)c1 755977378 SEYOMZAVKXERJW-UHFFFAOYSA-N 409.508 1.752 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)OCC(F)(F)F)CC2)n1 760777996 PBWOCJBSSZSJNY-CQSZACIVSA-N 411.384 1.765 30 10 HDEE C[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)S(=O)(=O)C1CCOCC1 765662642 VQIPEHBICGCJCH-HNNXBMFYSA-N 405.520 1.626 30 10 HDEE CCN1CCN(c2cccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2)CC1 771270919 BTKOIPAMKJFAOE-VXPUYCOJSA-N 412.494 1.476 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccccc1-n1cccn1)c1cc[nH]n1 772376789 IOOALDMDAINLPX-CQSZACIVSA-N 410.434 1.757 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)cc1C#N 774859370 IVVQWHQSWLPFLB-FQEVSTJZSA-N 422.485 1.200 30 10 HDEE COC(=O)N1CCC([C@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 776921171 PNVJKPMMWVMECK-HNNXBMFYSA-N 400.483 1.652 30 10 HDEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)[C@@H](O)c3ccc(C#N)cc3)n21 780214581 MLHLTHOXLFJUOC-SFHVURJKSA-N 403.398 1.538 30 10 HDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783952602 DUCQAVPMMIGWMD-UHFFFAOYSA-N 413.553 1.937 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 784508836 ALESQTNSIZINJA-IRXDYDNUSA-N 417.487 1.113 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(CC(F)(F)F)c2)c1 787903355 WNKQCLHMXYRESB-UHFFFAOYSA-N 420.391 1.932 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 794984497 SCRMFDINENBTOY-NQIIRXRSSA-N 421.501 1.844 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc1F 802342644 LEBQAXJNPBGPCQ-HZPDHXFCSA-N 401.442 1.709 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 803522887 AULDNSMWNINJKP-IBGZPJMESA-N 400.500 1.976 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C 806468711 FUDFNYMRASSCJT-UKRRQHHQSA-N 404.496 1.952 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cnn(C)n2)C1=O 807938295 BBKHJAKGGPBSNM-CQSZACIVSA-N 421.552 1.076 30 10 HDEE NS(=O)(=O)c1ccc(C=Nn2cnc3ccccc3c2=O)cc1Br 807958337 UFZHCUJVENDULA-UHFFFAOYSA-N 407.249 1.689 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812058521 DQTHXMJSSPRVQW-LJQANCHMSA-N 424.530 1.548 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1ccc(F)c2ccccc12 814883532 QRDIMIAOVLVJJO-UHFFFAOYSA-N 404.423 1.079 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1CC1CCC1 819307326 UQWWUDZDJLDLAO-INIZCTEOSA-N 405.520 1.923 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1F 819464393 UBOVHCMDEBZGEV-UHFFFAOYSA-N 410.471 1.101 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)CC1 914753400 WBRADRFURTURDG-UHFFFAOYSA-N 415.475 1.293 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnc3n2CCCC3)C1=O 917701516 NWHBKIBUVMXSAZ-OAHLLOKOSA-N 423.502 1.754 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1)C(=O)OC 1139175458 FUKOGRJAMJWLGQ-AUUYWEPGSA-N 400.472 1.168 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)ccc12 1141827295 BWTCCXSUULATMS-UHFFFAOYSA-N 401.426 1.542 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)[C@H]4CCC[C@@H]43)ccc2c1=O 1158084530 OBFFLHSDDMZCBK-HOTGVXAUSA-N 419.528 1.663 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](c4cc(O)nc(O)n4)C3)n[nH]2)c1C 1164330806 RYJGZJFZTBXBHE-CYBMUJFWSA-N 409.450 1.907 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](Nc3ncccn3)C2)CC1 1176808967 XEIVPGHFKXCSPY-UXHICEINSA-N 423.496 1.511 30 10 HDEE C#CCC1(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1178169061 ICOGTRDVECIFGP-HNNXBMFYSA-N 414.524 1.099 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)c1 1179509841 LTTMJXKUTSSSTL-MRXNPFEDSA-N 414.480 1.162 30 10 HDEE CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1184973822 CIOGFIKRAJDMED-CYBMUJFWSA-N 421.338 1.909 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1195103010 CZPNIGAARXCIME-IPMKNSEASA-N 419.570 1.620 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1214056955 PRMBAMVCZYODSY-UKRRQHHQSA-N 407.435 1.798 30 10 HDEE C=CCOCCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1214258107 OAVSECHGESVIGL-UHFFFAOYSA-N 413.496 1.430 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](CCN(C)C)c1cccnc1 1251170938 KDEDCIUMPDFGAI-WMZOPIPTSA-N 408.510 1.656 30 10 HDEE C#CCOc1ccccc1CNC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1265224185 VGNJTUOXICQWFR-HNNXBMFYSA-N 404.513 1.916 30 10 HDEE CC(C)n1ncc(C(=O)NC2(C#N)CCN(C)CC2)c1I 1267212841 VAVFFLMMZPZYKR-UHFFFAOYSA-N 401.252 1.786 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 1278866265 PIZGPBCZFPVINA-GOSISDBHSA-N 402.458 1.854 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286356098 KNXGPCDVJCQFNE-LJQANCHMSA-N 408.510 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCSC1 1286419688 CTBJXTMWGILVPE-HZPDHXFCSA-N 409.581 1.494 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286757635 SIRMOEATZLPKKZ-IAGOWNOFSA-N 409.556 1.980 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1286792033 KNHFXRNTIFMYED-UHFFFAOYSA-N 419.445 1.582 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2noc(CC)n2)C1 1286798546 LEUAGWJJKYLTDK-HNNXBMFYSA-N 415.498 1.484 30 10 HDEE CN(C)CCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1298097532 VPEQFZXHNOXVFE-INIZCTEOSA-N 409.494 1.733 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 1300077910 BGPORBAWNQRYDP-SWLSCSKDSA-N 422.532 1.655 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300305500 WDTQAGLHNMKXDH-SZNDQCEHSA-N 408.462 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1300450216 RXDYPDFCVKLPSF-FQEVSTJZSA-N 411.487 1.112 30 10 HDEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(C)=O 1300510453 QQLLEOLBJZUKQO-SFHVURJKSA-N 423.521 1.656 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1300630009 LXABRORTGXJJQG-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2ccncc2)n1Cc1nnn(C)n1 1300649004 IYJMDXWHZXVMDA-UHFFFAOYSA-N 417.452 1.615 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1301197573 MEPAGDWHSUCGFK-INIZCTEOSA-N 424.571 1.387 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1301952149 HORMXQSWRWXEKE-HUUCEWRRSA-N 406.512 1.563 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1302910441 CPQOMZGADYBWRE-AWEZNQCLSA-N 403.508 1.865 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC#C[C@@H]2CCCCO2)cc1 1305003799 ZPBLQXVMIUSCFN-KRWDZBQOSA-N 407.492 1.002 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1305116150 PHNQWWZASFKWBR-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE CCOC(OCC)[C@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1306069551 QGEPIPZTWSHCIG-XJKSGUPXSA-N 402.451 1.667 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C1CC1 1316189124 MIMQHHFDDCBRTO-QRWLVFNGSA-N 404.515 1.658 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1316328981 PJJWNSPHRMBVOA-RXVVDRJESA-N 413.478 1.759 30 10 HDEE Cc1cc(C(=O)NC2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)no1 1320195804 ORNZDGFHWHYHJB-HXUWFJFHSA-N 404.467 1.966 30 10 HDEE COc1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(C)c1 1321747530 JKGYBVYDTDHYCD-HNNXBMFYSA-N 413.455 1.733 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)NCCN1CCOCC1 1356424191 IBIZQAQKTCFTDS-HNAYVOBHSA-N 402.495 1.160 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1358873161 FDGOHXGDVHXJQH-UZLBHIALSA-N 424.567 1.601 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1358939997 LXCZAPDSFVHFRM-OAQYLSRUSA-N 422.493 1.412 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCSC1 1358946300 PVUHVDVGDYLUBW-GOSISDBHSA-N 420.564 1.176 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1358949144 UBSVNUIISOFBFZ-QAETUUGQSA-N 407.540 1.117 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1358961469 ZVLFYLXQOZLDGH-SFHVURJKSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccccc1)OC 1358992404 KRAIWQYUQZHXHL-VQTJNVASSA-N 405.502 1.950 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1359033669 LHOSBRCELQCGSU-NRFANRHFSA-N 423.565 1.452 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1359074801 RTCGRRIKWMOISX-CRAIPNDOSA-N 408.524 1.061 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1359098707 FBFRMPJXBUYOAO-BBWFWOEESA-N 410.540 1.736 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1359183501 MSDQHEOVGLWPFD-ZIAGYGMSSA-N 412.560 1.205 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(-n2cccn2)c1 1359281065 NJYRSBDCKDMOLO-KRWDZBQOSA-N 422.493 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2F)CC1 1359331870 JQPKCTYZCCRWHR-UHFFFAOYSA-N 420.514 1.617 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1360206685 DVCYIHLFJRZGBK-IBGZPJMESA-N 421.521 1.094 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1360799434 YPRQHAYGNASOBL-SJORKVTESA-N 405.462 1.460 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1439441413 MKOJLCVWHQUYAC-SFHVURJKSA-N 419.441 1.786 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCS(=O)(=O)C1 1440685765 SRBZDCHDTSALGE-QXGUJMOYSA-N 411.524 1.419 30 10 HDEE Cc1cc(C(F)(F)F)n2nc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2n1 1443537115 PBLRJNORDXKUND-PEZBUJJGSA-N 408.340 1.313 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)n[nH]2)c1C 1445061625 KBBWSYKSJDGKOK-OAHLLOKOSA-N 422.493 1.653 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@@H](O)CN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1445365838 CNPKTTJTORTYJR-GOSISDBHSA-N 418.343 1.059 30 10 HDEE CN(C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446445869 WPUUVZFYYZBKRU-JEBQAFNWSA-N 409.483 1.447 30 10 HDEE Cn1nc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c2ccccc21 1447925784 RCSBDVCTZGMOCT-UHFFFAOYSA-N 400.435 1.982 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(n4cnnc4O)CC3)CC2=O)cc1Cl 1448783106 HCFVCYOTUGEGBU-CYBMUJFWSA-N 414.853 1.725 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1450275639 YUMURDFYYVESRP-OAHLLOKOSA-N 405.838 1.691 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 1450538439 CNMPQUZKADPQLF-UHFFFAOYSA-N 421.504 1.180 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN(CCC#N)CCN3CCOCC3)O2)C1 1459607433 IXVPYVMBTRKSFT-GOSISDBHSA-N 408.543 1.703 30 10 HDEE C#Cc1ccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 1468663926 SFLXNMRTZXAGPM-FQEVSTJZSA-N 420.517 1.763 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CC1 1470145643 ZWHDLJBTYPGDOL-HSZRJFAPSA-N 423.517 1.808 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C)c2S(C)(=O)=O)n1 1476744937 DXGDJNXQSGPVEO-UHFFFAOYSA-N 404.492 1.909 30 10 HDEE O=C(NC[C@]1(O)CCN(CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1484230897 MQOORKXOCXCSTF-MGKGBGQOSA-N 400.906 1.668 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCSC2)CCOC1 1502727912 DSRDYVAKPUCADW-GPMSIDNRSA-N 407.540 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507516725 MKXXXXHFRASROC-MHORFTMASA-N 424.615 1.714 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1507618030 DVYDLSARGWRWMT-UHFFFAOYSA-N 404.492 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@@H]1C 1507671788 PPZWGNWAQOVISN-JPYJTQIMSA-N 418.501 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1507740073 WUIQTKJJQPGVIN-UHOSZYNNSA-N 417.554 1.809 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507751394 NTBZUGVQYLTJIC-IKGGRYGDSA-N 403.552 1.501 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1507753360 MHVCTYYVDVJDJX-QGZVFWFLSA-N 416.551 1.896 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507755436 UOSSTNCQQOGBDH-HZPDHXFCSA-N 418.567 1.289 30 10 HDEE C=C(Cl)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507873650 DCFBFQPHRHFVHA-SFHVURJKSA-N 413.906 1.153 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508134355 RUPYRHVJBMNHLP-HNNXBMFYSA-N 421.523 1.539 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1508146655 AJEBXMIVLGWZRL-UHFFFAOYSA-N 420.583 1.880 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nn1 1516974708 DDVUJWZMFAEHSV-UHFFFAOYSA-N 403.870 1.871 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCCCO)c1 1521083648 ZDWJZMIJYZCOEA-GOSISDBHSA-N 410.478 1.027 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)o1 1521095037 IDBAIFYYTFDCQC-PXAZEXFGSA-N 404.427 1.135 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1525459187 HBWLWVMNOFNMNF-UHFFFAOYSA-N 410.434 1.796 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2ncc3c(n2)CCOC3)cc1Br 1527676435 RZXWAYZPXGXQPK-UHFFFAOYSA-N 403.236 1.879 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2nn(C)c(C)c2C#N)CC1 1537542265 RXGMKZFWXCANNT-UHFFFAOYSA-N 406.468 1.244 30 10 HDEE CO[C@]1(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCS(=O)(=O)C1 1538275228 ZWYLSODXBWCCBO-IBGZPJMESA-N 402.476 1.397 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1539213438 ZNHPJDGEMLDHOW-JXFKEZNVSA-N 420.535 1.880 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1539216543 USDGEGGUUDZCIZ-YESZJQIVSA-N 402.524 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cccn(CC)c1=O 1539251708 NZKIKVAXSAIEOD-UHFFFAOYSA-N 415.453 1.977 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1cccc(C(N)=O)c1 1539407651 JTHYZLLZSXTRIC-UHFFFAOYSA-N 406.490 1.711 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1539636505 KZOJYERTKRPCSX-FUHIMQAGSA-N 410.522 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)C[C@@H](C)C(=O)NC 1540868155 UJNISPYJAYVFNL-CYBMUJFWSA-N 404.902 1.719 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540870626 RKWYKGMLHNEOQN-SFHVURJKSA-N 402.543 1.539 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)NC(C)C)C1 1540887030 OGEQZNOIBODMLJ-INIZCTEOSA-N 423.539 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1540898729 SJVPDAIYXCNBHE-INIZCTEOSA-N 421.910 1.928 30 10 HDEE C#CCN(CC(=O)N1CCC(N(C)S(=O)(=O)CC)CC1)C(=O)OC(C)(C)C 1543231996 HOUGBQCJWNUKTB-UHFFFAOYSA-N 401.529 1.129 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1547885937 WTZYNEJXYZOHFG-VQTJNVASSA-N 405.499 1.476 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)OC 1555641335 XXHKDSVKCYFFAU-KBPBESRZSA-N 416.482 1.572 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccs2)CCO1 1555993370 NICZVIHRMXGXPB-HUUCEWRRSA-N 416.507 1.392 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1F 1557384276 LUPTWGQOIQHLPA-LJQANCHMSA-N 418.446 1.866 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1561248785 BCWRCUQNBAWSJU-HXUWFJFHSA-N 412.515 1.586 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F)C(=O)OC 1561511766 ATMRXWODERBJSI-NSHDSACASA-N 409.819 1.288 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1561718355 MSNTZAZEOMWPFA-LBPRGKRZSA-N 418.309 1.987 30 10 HDEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564615859 CJDKVUSFOYHEGX-MSOLQXFVSA-N 423.473 1.771 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2)cn1 1564814793 YYUGJBKQNSAWRA-UHFFFAOYSA-N 410.869 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OCC[C@@H]4C3)C2)C1 1566429786 SSFXUBITTVFULT-FMPZLKCCSA-N 418.494 1.826 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 1569815110 ICAXFHMMRBLHQP-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583408002 IDTMCTXYJIVLAQ-ZWNOBZJWSA-N 423.413 1.240 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CCCCC#N)CC2)cc1[N+](=O)[O-] 1586927929 IVGIVKDHFOAPFF-UHFFFAOYSA-N 410.452 1.520 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1587989476 KHWIQMULAGDSAQ-HUUCEWRRSA-N 411.478 1.640 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1588138288 BWAQEGZEVNKQFK-NTLWEQJWSA-N 416.547 1.194 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)CN(C2CC2)C1=O 1588159434 WPXUAGNHLAWASN-QFIPXVFZSA-N 405.506 1.223 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1588210131 BREASDFWIMWPAI-UHFFFAOYSA-N 412.515 1.994 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1 1589097518 RISQVAUHQZEYQA-QGZVFWFLSA-N 418.592 1.521 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1593689751 DUPWGBRXPPNTMI-VJANTYMQSA-N 405.543 1.735 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1593741692 VFYZATGEILDQGX-IRXDYDNUSA-N 404.515 1.127 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1595381552 IDTWYNQCDOHLCD-SFHVURJKSA-N 404.478 1.270 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595866586 PYZJNBMAHFXZFG-UHFFFAOYSA-N 415.523 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1607498601 VQFDOEJVYFVLHR-CYBMUJFWSA-N 417.466 1.241 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)C1 1611771037 QJWICJLDQNVTAX-BEFAXECRSA-N 402.499 1.542 30 10 HDEE Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1612082641 HLSWQQVSFPPFMH-GOSISDBHSA-N 405.462 1.048 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1615448784 DWUPDNLIBAWSAR-HNAYVOBHSA-N 407.494 1.030 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618731617 NZYILXAMPNEMCQ-GOSISDBHSA-N 400.442 1.885 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1619909642 FPRJRJXHSKDYAT-KRWDZBQOSA-N 419.530 1.041 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC2CCOCC2)CCO1 1620356012 QLHJBJUJIVCPFX-LJQANCHMSA-N 412.494 1.578 30 10 HDEE N#CCc1ccccc1S(=O)(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 1622002396 HWYNVYBPQOVXKO-UHFFFAOYSA-N 405.501 1.771 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 1622325308 QVAPRBYHXRBZPC-UHFFFAOYSA-N 420.484 1.163 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCN(C4CCC4)C3=O)C2=O)cc1 1623759301 AVDKLXZMWQZHAL-SJORKVTESA-N 409.446 1.033 30 10 HDEE COC(OC)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 1626030109 UGIFAXWHPBCWOT-KBXCAEBGSA-N 417.487 1.701 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cncnc1-n1cccn1 1627894722 OFUBKVXGVSWZKM-UHFFFAOYSA-N 411.447 1.120 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc[nH]c3C(F)(F)F)CC2)cc1 1629484783 DEAKTRCLOXEDRT-UHFFFAOYSA-N 413.381 1.447 30 10 HDEE COC(=O)CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1630113936 GZMULNVYXQSPEA-UHFFFAOYSA-N 408.495 1.818 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(-c3nc(C)no3)cc2)c1 1632443196 ILSFJBPSMFLJON-UHFFFAOYSA-N 410.455 1.887 30 10 HDEE COC(=O)CN(CCN1CCOCC1)C(=O)CCCC(=O)Nc1ccccc1C#N 1632649315 CQXOBHCZBNCYGM-UHFFFAOYSA-N 416.478 1.001 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1634126600 FSDRQNMWHOOULG-KBPBESRZSA-N 411.890 1.678 30 10 HDEE Cn1cc(CNC(=O)N2CCC[C@@H]2CN2CCOCC2)c(-c2ccc(C#N)cc2)n1 1634169603 HIJGKYOTKGMOOI-HXUWFJFHSA-N 408.506 1.965 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCn3c(=O)nc(O)c4ccccc43)C2)nc1 1635415833 RLWSBNJLMSDBGU-MRXNPFEDSA-N 418.457 1.862 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1636682645 MSNWSPOGCWXXTO-UHFFFAOYSA-N 400.298 1.403 30 10 HDEE C#CC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1640070677 YNHDEYUQVZTZRK-UHFFFAOYSA-N 410.801 1.234 30 10 HDEE CN(C)[C@@H]1C[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1641449256 RUWPTYOKINVABP-DLBZAZTESA-N 404.536 1.494 30 10 HDEE CCn1cc(C#N)c(=O)n(C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1=O 1643615387 IXANEKUTTZHKFU-MGPUTAFESA-N 404.467 1.318 30 10 HDEE N#Cc1ccc(N2CCN(CCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 1644193841 GWAUBUVGVSWEBO-UHFFFAOYSA-N 413.503 1.356 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H](C(=O)OCC)c2cccnc2)c1 1645220682 ORNBYBBDLVKFQD-GOSISDBHSA-N 415.471 1.370 30 10 HDEE CCOc1ccccc1-c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n[nH]1 1645991252 NUHGHKLGWAZQKU-ORAYPTAESA-N 400.460 1.486 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCC(=O)Nc1ccccc1C#N)C[C@H](O)CO 1646348181 DVULTMGICURZBE-INIZCTEOSA-N 406.483 1.067 30 10 HDEE C[C@@H]1O[C@H](C)[C@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C 1648013371 SHLCDWBNCGEZLP-XTDOFWJNSA-N 413.478 1.856 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1648935085 UTQBVYITEJDCPI-FOCLMDBBSA-N 411.384 1.771 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CC2(C1)OCCO2 1651533794 HQTBEJQFHZULST-MRXNPFEDSA-N 421.519 1.409 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(C(F)(F)F)ccc(C#N)c3=O)CC2)o1 1652170262 ATNWFGDHAFNPCP-UHFFFAOYSA-N 420.351 1.256 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1652897434 DXRWUHHEUJUGFP-UHFFFAOYSA-N 420.516 1.376 30 10 HDEE Cc1oc(NC(=O)CN2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)c(C#N)c1C 1654262492 VQFORRDKGYPDPM-FQEVSTJZSA-N 422.482 1.295 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1654503360 GUEJGFXHWZWKLF-MJGOQNOKSA-N 407.536 1.539 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](C)C[C@@H](O)C3)nnc12 1654642824 ABOMWSLPZNKOQX-UONOGXRCSA-N 413.503 1.552 30 10 HDEE C#CCC1(N[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 1654870840 KJKZYKDMPVZFOY-MRXNPFEDSA-N 405.520 1.570 30 10 HDEE COC(=O)[C@H](c1ccccc1Br)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656344147 UOHJNYQLCFYVAD-HZUKXOBISA-N 413.293 1.533 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 1661203477 HTBRXBLMKUGUNO-UHFFFAOYSA-N 416.385 1.676 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1663018674 FHTJTQYTWVHZRZ-GFCCVEGCSA-N 404.282 1.597 30 10 HDEE C#CCN(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1673905244 OJIQQXIDIHYAFF-QLFBSQMISA-N 401.529 1.510 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C)CC1 1675308904 LQUDXAKXCXKJFZ-NRFANRHFSA-N 402.514 1.938 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1683758608 OGNRDPFFHAZGFR-NRFANRHFSA-N 414.462 1.228 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)O2)C1 1684136402 YUTFJYNMFXTBSP-IAGOWNOFSA-N 419.526 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1689850901 JCOKSOKTROHMMR-DLBZAZTESA-N 417.535 1.609 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(OC)nc1OC 1690043384 ZJXMFLLUFWFVQW-UHFFFAOYSA-N 403.446 1.659 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N(C)C)CCSC1 1690099632 FXPBEKJCLZRVBX-LJQANCHMSA-N 403.556 1.202 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc([C@@H](C)OC)n1 1690102446 LDXJVZIENWGOFB-HIFRSBDPSA-N 418.523 1.527 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)C(=O)NC)CC1 1690142538 PVUFRFFLWAWWHJ-UHFFFAOYSA-N 423.521 1.078 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690744430 PAJVPNMJTCDZEQ-MRXNPFEDSA-N 420.583 1.102 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CCO1 1696965119 WMQDZJRYBPUPMJ-HNNXBMFYSA-N 420.420 1.050 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1697758277 YSPNDZKSHATMCP-DYESRHJHSA-N 410.478 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1705585708 YIQYILPEKPWFAN-UHFFFAOYSA-N 417.521 1.579 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1705627629 MIHOEZSDBBLNMS-CVEARBPZSA-N 411.462 1.155 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCCC)CC1 1705636934 CKRBWGHYKNVHLS-UHFFFAOYSA-N 400.914 1.880 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)CN2CCOCC2)CC1 1705639404 NJEVYMXHHPIOFZ-VQTJNVASSA-N 416.570 1.243 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CC1 1705641090 PRJJRFGHRSSCKD-QGZVFWFLSA-N 402.449 1.443 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1705673171 SAAIRNHOHVBTQW-AUUYWEPGSA-N 407.540 1.435 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1705704211 RHFKRKYKZGELKP-APWZRJJASA-N 414.510 1.549 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705724909 YIPVHAKMNMULRL-OAHLLOKOSA-N 410.544 1.056 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)CC1 1705769632 YKYLNLQQQHYQLV-INIZCTEOSA-N 407.496 1.409 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705906180 WDWQNVYYJOIFTK-MRXNPFEDSA-N 411.535 1.960 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCNS(C)(=O)=O)cs1 1707745276 SKGLKSZHHHSNHS-LBPRGKRZSA-N 411.557 1.169 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1712876882 WTHGQHHAASWGFV-AUUYWEPGSA-N 402.430 1.523 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CC(=O)N[C@@H](C)C(C)C)CC1 1716808182 MGGPSXPTDPSHJY-MZNRPPOFSA-N 401.551 1.497 30 10 HDEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722346291 OFNYCSDVXOSBPK-IBGZPJMESA-N 400.460 1.310 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1722374554 WWTOXZYDILOGGO-QHCPKHFHSA-N 421.501 1.345 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722629620 MTXQEKDHVJZAQH-FUHWJXTLSA-N 402.499 1.686 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1722658007 RPVDLRLFLVALGC-QFIPXVFZSA-N 407.522 1.938 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1722672990 DWAJITXPDFRKJF-SFHVURJKSA-N 410.522 1.989 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722687054 FXXDMBVRNDICFH-UHFFFAOYSA-N 417.539 1.394 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1722867238 FQGITYQMSJIZBY-ZBFHGGJFSA-N 405.528 1.142 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1722870564 QYFYODMJHZPHJA-VFNWGFHPSA-N 407.478 1.803 30 10 HDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1)N1CCOCC1 1723033358 CPAQEVXXUWUAHQ-GOSISDBHSA-N 423.521 1.239 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCCS1 1724039857 FKUCTZSXCSWZLU-XKQJLSEDSA-N 413.544 1.908 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1726729142 OUARHYIQMUHUHQ-MGTMEOADSA-N 416.482 1.270 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C[C@H]1OC 1730988519 DHANCJYIQZNUDK-LVCYWYKZSA-N 413.478 1.472 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCOCCCO)c1 1731179080 MDGDNJSIJLVGND-QGZVFWFLSA-N 412.494 1.308 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@@H]1COCCO1 1740630214 GUYNVVMWVNSYEE-GOSISDBHSA-N 410.474 1.841 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1740674043 QZCGGHUZDGAHKB-UHFFFAOYSA-N 400.527 1.653 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740718282 LJSWSBHMKFTBLQ-CVEARBPZSA-N 403.552 1.643 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)N1CCOCC1 1740846267 TYAJRSBYDPZEDF-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1740898943 BBITVUKLMDGUTP-QGZVFWFLSA-N 417.535 1.461 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@H](C)C1 1740963224 DSWIFCAYUAIYQH-ZIAGYGMSSA-N 402.524 1.664 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC3(CC2)NC(=O)N(C)C3=O)cc1 1740965584 BRGZFFCUDBOTKP-UHFFFAOYSA-N 410.478 1.720 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H]1c1cnn(C)c1 1740993958 LARKCXFFBRXJPK-INIZCTEOSA-N 408.528 1.490 30 10 HDEE Cc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742777181 DSLSJTARCYXBJM-HEWTWTGNSA-N 400.483 1.244 30 10 HDEE C[C@H]1CSCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1743373461 CGLAMUIYGMGEDJ-DEWUXSJSSA-N 418.523 1.598 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1746732994 CYPFNCZQRUIFJB-YLJYHZDGSA-N 404.515 1.145 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748757517 FQQGYDFLGGTKST-UHFFFAOYSA-N 424.549 1.523 30 10 HDEE C#CCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764512 QLBRJGNVVFZOSF-UGKGYDQZSA-N 412.538 1.909 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(-n2cncn2)c1 1748799857 WYVBPHCZEXVPEY-UHFFFAOYSA-N 401.478 1.838 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(C)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748818175 WTRYVFWOTJJSHD-QGZVFWFLSA-N 402.520 1.833 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1748905520 HBELOXMFMOFELC-INIZCTEOSA-N 404.540 1.484 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)OC)CC1 1749010159 OMCDIWYQMFUKIQ-KRWDZBQOSA-N 403.527 1.911 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749038957 NDIRRMWONUGKEF-DLBZAZTESA-N 402.524 1.250 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1749129952 ISUKNWYICDKFFY-VQHPVUNQSA-N 410.540 1.387 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749189475 LAJGFZLATCPKGG-KBPBESRZSA-N 401.471 1.890 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749198414 JPNLNRDHVAZOET-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1F 1749667285 XFCUFFNXERANBP-BBRMVZONSA-N 400.458 1.868 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749751879 CYVZHMPDLXWDFG-KGLIPLIRSA-N 412.585 1.856 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1750381736 CRVYVRGUWBZXLN-CZIZESTLSA-N 419.445 1.180 30 10 HDEE N#CC1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)CC1 1750386184 BCPLCXQZHDVLKT-UHFFFAOYSA-N 413.436 1.964 30 10 HDEE Cc1csc(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1751746001 PXSKWHAGWMARFG-GJZGRUSLSA-N 415.523 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCN1CCN(C)C(C)(C)C1 1760100655 XNOSNALDQDLKQX-ZWKOTPCHSA-N 406.575 1.486 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C(=O)NC 1760163028 XRCZXVULEJNWDI-QGZVFWFLSA-N 424.553 1.684 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1760258895 DOUCUDKIDJLYLQ-JKSUJKDBSA-N 416.551 1.749 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1 1760445487 LOISFUIHMXBZGI-KFWWJZLASA-N 417.601 1.811 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(=O)(=O)CC=C 1760458257 BDAPWCVNRISLGW-UHFFFAOYSA-N 414.495 1.144 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1snnc1C 1760505750 IHXWECZMOHTMCP-UHFFFAOYSA-N 402.528 1.987 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760520637 VFJODFBSISYWLW-UHFFFAOYSA-N 410.400 1.536 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1 1760522049 KQCNQLDXJZBDLZ-QGZVFWFLSA-N 417.535 1.509 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1760524213 RULQURFTMGTMOT-CQSZACIVSA-N 416.448 1.159 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2ccco2)C1 1760525477 HIEJFLBQOKUFII-GOSISDBHSA-N 408.462 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOCC2(CCC2)C1 1760554047 PUAZZJQBHZYLDV-UHFFFAOYSA-N 420.539 1.286 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H](C)O1 1765237188 JPXYGNPGKJSEAU-MAUKXSAKSA-N 407.482 1.897 30 10 HDEE CO[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1768008162 PFUAASZMLWJCHL-AAEUAGOBSA-N 409.288 1.810 30 10 HDEE CCOCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768065129 UPAOFPWRLOORHA-GOSISDBHSA-N 415.542 1.507 30 10 HDEE CNC(=O)CCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1769338987 GQSKUJDMLRTBBE-FQEVSTJZSA-N 404.515 1.585 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)CC2)nc1 1851720793 FMXDUYWECBKYDL-IBGZPJMESA-N 419.485 1.672 30 10 HDEE O=C(c1cc2n(n1)CC(F)(F)C2)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852011639 SYNVJFPSINXXBH-UHFFFAOYSA-N 400.329 1.949 30 10 HDEE Cc1nn(CC(=O)N[C@H]2CCc3c(C#N)cccc32)c(C)c1S(=O)(=O)N(C)C 1852382026 BWODUDAAEGRVGW-KRWDZBQOSA-N 401.492 1.426 30 10 HDEE C[C@H]1CC(=NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)NN1c1ccc(Cl)cn1 1852497279 ONIJISXMQLBYGE-STQMWFEESA-N 405.886 1.791 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)cc1 1852808295 KVXXWSKALHFLCG-AWEZNQCLSA-N 409.446 1.719 30 10 HDEE Cc1cc(F)ccc1N1C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853389550 JQNUAGCLNTZXAH-OAHLLOKOSA-N 408.437 1.498 30 10 HDEE C=CCC1(S(=O)(=O)NC(CN2CCSCC2)=NOCc2cccnc2)CC1 1853531189 XTVFHXYKWCBVHX-UHFFFAOYSA-N 410.565 1.989 30 10 HDEE C=CCC1(S(=O)(=O)N(CCCN2CCN(C)CC2)Cc2cnn(C)c2C)CC1 1853565985 IOLNKHARAKFITM-UHFFFAOYSA-N 409.600 1.607 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1=O 1853850485 POMKZUKFOHCZRL-AWEZNQCLSA-N 410.492 1.666 30 10 HDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854023916 KLEAKUDPTGPJGM-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE N#CCCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1855552406 DRCFSMQCVNLAAN-KRWDZBQOSA-N 418.519 1.062 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1855611229 QEYVAEHQSSJUSO-SFHVURJKSA-N 415.515 1.680 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3C[C@@H](C4CCN(CCC#N)CC4)CC3=O)cc2n1C 1856151446 ZQGRLZVQHQFGDE-KRWDZBQOSA-N 409.490 1.491 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1856254674 DPKGZYYOBPXYKT-DLBZAZTESA-N 405.520 1.992 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1=O 1856338360 QWLFGWOGVHIUSI-HZPDHXFCSA-N 408.499 1.375 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccn3ccnc23)C1)[C@H]1CCN(C)C1=O 1857062943 SUHMBVIBUYJGJW-AEFFLSMTSA-N 409.490 1.432 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857236199 AYMFEXJCMJLEIS-FUHWJXTLSA-N 402.495 1.318 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861364467 UVILKCXGWCRKNO-SKDRFNHKSA-N 403.262 1.888 30 10 HDEE C=CCNC(=O)[C@H](CC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861613491 VATMHSZBWUFICU-RDJZCZTQSA-N 401.463 1.413 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2ccccn2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004848 NVBZQEVXQJFRIG-CQSZACIVSA-N 402.480 1.463 30 10 HDEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N(CCOC)CCOC)ncnc21 1873562780 SORUBDHMMUEIJU-UHFFFAOYSA-N 403.483 1.189 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@]2(N)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914860182 GMCPEYHDBCGABA-VWNXMTODSA-N 403.530 1.826 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261027 KDKQVNVNXUFBGB-LRDNONRASA-N 410.320 1.957 30 10 HDEE C=CCNC(=O)COC(=O)C=Cc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl 2040426611 XZWCEVZLEXQXIV-LBPRGKRZSA-N 401.872 1.063 30 10 HDEE C[C@@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2046026325 QESVSCCIMVZHBG-XIKOKIGWSA-N 411.455 1.513 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](C#N)CC1 2046027789 ZRPJKJCXBGTRDQ-LIRRHRJNSA-N 407.467 1.966 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(C#CCN)cs1 2057536387 QDXNAHFVSXRVOH-CYBMUJFWSA-N 417.512 1.335 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)[S@](=O)CC1(O)CC(C#N)C1 2074691842 PRKCMCHBAYKYGT-RPMKHQKCSA-N 408.476 1.558 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1[C@H]2OCCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 2174781136 CEJCQIFPNRIUPZ-JKJDWNRSSA-N 401.529 1.772 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2212759170 JKEGGHKESBBKSM-CABCVRRESA-N 405.304 1.773 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCCOC1 2243686041 GPEOMUXATGQXHD-HXUWFJFHSA-N 408.304 1.811 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815387 ZTNCNMJUGIIWSI-MPBGBICISA-N 418.303 1.448 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)n1 2247825867 KJIQGBGTRXZNAZ-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE C[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247847774 BLMMNKLVUWCEOS-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247861884 QUWKHUPQOGXPJP-QGZVFWFLSA-N 415.221 1.597 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2247865332 STPRMZQSSMYRMB-HUUCEWRRSA-N 421.303 1.024 30 10 HDEE CC[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247919298 PZFSTPPWKLKTPD-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248444068 VKLVGRRMPMXEMC-CQSZACIVSA-N 421.303 1.595 30 10 HDEE C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707149 LWHZUANWJJMQOQ-NXEZZACHSA-N 406.766 1.811 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCC1 2270524003 FTVPDVIGMMUJEO-ZWKOTPCHSA-N 422.503 1.566 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCNC[C@@]3(C)CO)c2Cl)OC1(C)C 2281935137 WALNCPWCNXCKAG-KRWDZBQOSA-N 400.737 1.497 30 10 HDEE CN(C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H]1O 2281961825 QZYDIXNGJRHQHF-VXGBXAGGSA-N 400.737 1.448 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(C)(C)C 2282010365 XTDFUNSCSWFGFC-GWQKEKGPSA-N 400.375 1.965 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](O)CC(F)(F)F)c2)OC1(C)C 2282352614 PNQFFGBILNSPFS-JTQLQIEISA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2282504855 VORIRFKLLBZJRI-QGZVFWFLSA-N 423.340 1.653 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C(C)(C)C1 2282833889 MEOGRMCLUCOQAQ-CYBMUJFWSA-N 401.359 1.747 30 10 HDEE CC(=O)NCCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282845454 TXCBEKVEXXMQNP-UHFFFAOYSA-N 422.765 1.457 30 10 HDEE CN([C@@H]1CCOC[C@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848255 LECNJKXBUMNRKP-VXGBXAGGSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2O)OC1(C)C 2282854585 UCCYKGOGVQUIGW-BWJFDKCMSA-N 421.286 1.062 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282869959 KUFBWAHAMBRBCB-BETUJISGSA-N 401.359 1.713 30 10 HDEE CC1(N)CCC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282885004 WJGJIRDHBYCWRP-UHFFFAOYSA-N 400.375 1.986 30 10 HDEE CCC[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414553 IMCWATFSBDNLID-LLVKDONJSA-N 403.331 1.827 30 10 HDEE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)C=CC(=O)c2cccc(OC)c2)c1 2320941061 UVJLHCGXLATBDV-ZDUSSCGKSA-N 411.414 1.759 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccncc1 2327876437 HIUDKTDFCMMUOQ-AWEZNQCLSA-N 416.507 1.935 30 10 HDEE CC(=O)N(C)CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2364954460 VXKLNFJMDGVPOP-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2365201503 JDFXEYNEXVYVEM-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCC1 2365213621 VULFCOIQSJIULN-HNNXBMFYSA-N 402.557 1.683 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COC)NC(=O)OC(C)(C)C 2367797296 UHXTZTQHJGAMSK-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367816464 JTQDZVPVSVZJQZ-RKVPGOIHSA-N 400.541 1.306 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)NCc3ccco3)n2N)cn1 20921462 YQHGNYHLYYNDDL-DNTJNYDQSA-N 417.499 1.607 30 10 HDEE CC(=O)C1=C(OC(=O)CN2C(=O)CCC2=O)c2ccccc2S(=O)(=O)N1C(C)C 21149356 SUEUFGHNZDQOOP-UHFFFAOYSA-N 420.443 1.049 30 10 HDEE COc1cc(/C=C\C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)ccc1OCC#N 33696709 UMDVXFJBIVBCMW-OQFOIZHKSA-N 409.398 1.892 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 56017288 WVJUAPIIMSMXJZ-RHSMWYFYSA-N 418.519 1.071 30 10 HDEE Cc1ccc2[nH]nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2c1 97255135 XPPGNFAJBNQGCU-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE COc1cc([C@H]2/C(=C(/O)c3cccs3)C(=O)C(=O)N2CCOCCO)ccc1O 103127084 APCSXNCAMNJRKN-HMNTXPNISA-N 419.455 1.893 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 409574544 NDYWLSYIDIKXSN-GFCCVEGCSA-N 402.318 1.302 30 10 HDEE Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n(C2CCOCC2)n1 434548851 KKOCRMVWJZMQOB-UHFFFAOYSA-N 417.491 1.906 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2)C(C)(C)CO)CC1 437623785 LLOIGGZFQPMJRL-LJQANCHMSA-N 402.539 1.418 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)n2ncnc2n1 443052467 SJAFPSMUGGWPRZ-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE COc1ccc(CN2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(OC)c1OC 466985566 WNAPFOJOCNFSGE-CQSZACIVSA-N 414.466 1.081 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccnn3)CC2)cc1 480956905 JAEXDSVLROIXMD-AWEZNQCLSA-N 400.464 1.516 30 10 HDEE CC(C)CN1C[C@H]2CN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CCN2C1=O 488802245 WUWZXCGIMZVOHH-QGZVFWFLSA-N 408.466 1.749 30 10 HDEE CC[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCN1CC(F)F 498917985 ZHIBNCJNGJBLQK-OAHLLOKOSA-N 410.469 1.165 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)NC1CC1 505020207 ZPTQVAQYPAAWKK-UHFFFAOYSA-N 404.492 1.527 30 10 HDEE C[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)n1cnc(C#N)n1 507268735 DWMSKHRGTCLHDY-IEBWSBKVSA-N 408.506 1.756 30 10 HDEE CSC[C@@H](C)C(=O)N1CCC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 507912874 IQXJZJGZLQVIQY-MRXNPFEDSA-N 415.563 1.840 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@H]1CCCO1 526035908 SVMRNYOQNRPJTC-CQSZACIVSA-N 419.453 1.275 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(C2CCCC2)c1C 532576452 QMOKUJOGWZFVKO-OAHLLOKOSA-N 407.540 1.654 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(c3ccnc(N(C)C)n3)CC2)CC1 533530157 GHOUAXJSQAQSHR-DKTYTTGXSA-N 413.570 1.984 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)CC1 541406887 AQDRXWOTIKTXJG-NRFANRHFSA-N 405.502 1.800 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)CC2)n1 545502228 FIZFIERYGIQCGB-UHFFFAOYSA-N 419.445 1.359 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@H](CO)CC2CCCC2)n1 559028540 AEODRFUZFSOAPM-INIZCTEOSA-N 415.881 2.393 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 561947330 SRDGVAQTYCYXBZ-OAHLLOKOSA-N 423.514 1.343 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)ccc1Br 563321288 FWDZJHFJOWXNLZ-UHFFFAOYSA-N 420.267 1.275 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COc2ccc(F)cc2C1 565453726 PXGNANUQGSJORG-WBMJQRKESA-N 403.435 1.484 30 10 HDEE N#Cc1cccc(N2CCN(CCN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 580981581 FSDYCFAXKYYXKK-UHFFFAOYSA-N 402.506 1.164 30 10 HDEE COC(=O)[C@@H](NC(=O)COc1c(C#N)cnc2c(OC)cc(OC)cc12)C(C)C 583232056 STICZFANHFRVTG-KRWDZBQOSA-N 401.419 1.816 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OC2CCCC2)nc1C 586304329 ORAMALDPUUAWAG-HHHXNRCGSA-N 414.505 1.967 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCC(=O)Nc2ccc(Cl)cc2)CC1 604177464 DFYSCZCZGLHYTJ-UHFFFAOYSA-N 421.929 1.688 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 604532481 DAJSQLAHODLFIT-UHFFFAOYSA-N 415.519 1.473 30 10 HDEE CC(C)(C#N)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 614171279 OLBWLXQKEGWZQH-UHFFFAOYSA-N 416.503 1.686 30 10 HDEE COc1ccc(C)cc1N1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 619105661 GRBKRQXQRVBCNW-GOSISDBHSA-N 419.485 1.972 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 670220069 JKYSDSBCOLEIJG-GOSISDBHSA-N 410.522 1.915 30 10 HDEE CNS(=O)(=O)c1ccc(I)cc1B1OC(C)(C)C(C)(C)O1 694962861 GYFYEAZNRYFJLR-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CCN1C1CC1 732651532 BXJRMZGMLUEWKI-DBXWQHBBSA-N 414.506 1.915 30 10 HDEE CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732880536 CKZOKPSDOZJEHQ-ZCXUNETKSA-N 420.491 1.658 30 10 HDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1C#N 747054794 WPNHSIUECGNUHU-UHFFFAOYSA-N 402.428 1.619 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 749533759 OBWAZRDXRLZGQW-UHFFFAOYSA-N 414.487 1.370 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 756543051 KJBBVRZJUMTFQN-QGZVFWFLSA-N 406.504 1.270 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3c(S)nc4ccccc4c3=O)CC2)n1 761226335 OWNFEJYVOZLKNW-UHFFFAOYSA-N 406.471 1.301 30 10 HDEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 765730385 MRQXYSZWSAOQGD-SFHVURJKSA-N 402.476 1.070 30 10 HDEE C#CCN(C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 774034144 FOUUIMDQRMJZHT-NSHDSACASA-N 403.363 1.850 30 10 HDEE C#CCN(C(=O)NCCC(=O)Nc1cccc(Cl)c1C)[C@H]1CCS(=O)(=O)C1 774188940 MMFNUBNIQLVVKI-AWEZNQCLSA-N 411.911 1.809 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 780206312 QGLFBNSFOPFWNC-JNAXZKDPSA-N 410.426 1.822 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CCCCC1 784546799 MYGPVDOXZPHRHE-DLBZAZTESA-N 423.535 1.348 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1C#N 785224388 XYCSIZFSOXDPMZ-CQSZACIVSA-N 406.464 1.392 30 10 HDEE Cn1nc(CC(=O)[C@H](C#N)C(=O)NCc2ccc(F)cc2F)c2ccccc2c1=O 786555160 RMWPHRVTGUJIDL-INIZCTEOSA-N 410.380 1.779 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)n1 789323163 IERCKZJGXBZARA-UHFFFAOYSA-N 415.406 1.240 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 794580192 VTSBEVASIHPMLH-CVEARBPZSA-N 414.483 1.181 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)[C@@H]1c1cncn1C 796087868 KMBQSYOOXKKZPE-HDMKZQKVSA-N 415.494 1.604 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)cc1 804275747 UGXINMAXRVTVLE-IEBWSBKVSA-N 415.471 1.376 30 10 HDEE COC(=O)CCCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 921045535 WWSFGQIWVKRYBG-HNNXBMFYSA-N 409.508 1.599 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(Cl)cc3C#N)c2)NC(=O)NC1=O 1116357535 ZLJBSUXDBZOVIW-GOSISDBHSA-N 418.862 1.745 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1129471541 PPFPUYQNAKAREL-QWPVENPASA-N 418.247 1.810 30 10 HDEE N#Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1F 1129862679 FTZQKNPBGVTUGO-UHFFFAOYSA-N 423.491 1.639 30 10 HDEE CC(C)(NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C#N)c1 1130877112 VGAWFIVURDFZQI-OAHLLOKOSA-N 402.476 1.075 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1134332522 MBWJTCPLOPSLIU-ZXFUBFMLSA-N 410.517 1.602 30 10 HDEE C#CCCN1CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1136499424 YWZFMMHQZGRCCT-NRFANRHFSA-N 404.511 1.700 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 1137757674 PKDXOIBLIZNTKN-MRXNPFEDSA-N 410.492 1.698 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)NCCN1CCCCC1 1140743418 KXJQOLDSKBUWTL-UHFFFAOYSA-N 407.312 1.582 30 10 HDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(O)C1=O 1141380031 DJVAFBHPZIJNCE-VLIAUNLRSA-N 405.451 1.468 30 10 HDEE C#CC[C@@H](NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1141998973 XOBKFOOWWPOKCO-OAHLLOKOSA-N 404.467 1.290 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(N2CCN(C)CC2)CC1 1152061153 RSPRXAWWENXUFO-UHFFFAOYSA-N 400.523 1.964 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC(C)(C)C1=O 1159558740 JDFVQOZZGHDWLF-GFCCVEGCSA-N 416.906 1.859 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC[C@@H]2C=NNC2=O)CC1 1168406235 YMBCEQJLEMQDSX-CQSZACIVSA-N 410.434 1.651 30 10 HDEE COc1ccc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)c(OC)c1 1175524130 UDWYSAVFRYNZTE-UHFFFAOYSA-N 416.503 1.566 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)cc1 1180362628 GHGGXSWWAUYUFI-IBGZPJMESA-N 415.515 1.648 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)n2)C1 1182823993 WVOUVHAGSDINDA-ZDUSSCGKSA-N 403.284 1.995 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)n(C2CCCC2)c1C 1197992444 ZCJKNKHWYDKEKL-KRWDZBQOSA-N 422.551 1.512 30 10 HDEE N#Cc1cn(CCNC(=O)NC(Cc2ccccc2)Cc2ccccc2)c(=O)nc1O 1225123368 GNVJIHYMWZCOFZ-UHFFFAOYSA-N 417.469 1.974 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ccnc(F)c3)CC2)C1 1225935867 BJBLAWPYMITRNJ-HOCLYGCPSA-N 418.473 1.811 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1255364816 RTHDOSWYPJXHRW-QGZVFWFLSA-N 405.506 1.656 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cc(=O)n(C)cc1Br 1265897757 JOEPVJNEWNVYJU-UHFFFAOYSA-N 422.239 1.687 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1286360933 KVNXVHSSRVOPHA-PBHICJAKSA-N 422.530 1.400 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286368485 SVHSQJITEDZZTL-KRWDZBQOSA-N 412.874 1.357 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1286386947 KHIAYMYAUVMKSC-CQSZACIVSA-N 410.459 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCC1 1286461178 OEZNBVXHTGGGAC-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286693513 RQNKBOXTMZLWFI-HOTGVXAUSA-N 411.572 1.986 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCNC(=O)C1)C(C)C 1286750785 HCQFMVGGJDIFJK-SFHVURJKSA-N 410.526 1.370 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286757942 ZASQTOLYWWTXSL-MRXNPFEDSA-N 410.540 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286783668 YGENGHACHVSDJJ-INIZCTEOSA-N 410.522 1.867 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CCC 1286786932 MGYGEZRCTCPTGD-UHFFFAOYSA-N 409.494 1.731 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286816480 LSXFQBOMULERTP-HZPDHXFCSA-N 424.523 1.687 30 10 HDEE CC(C)(O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1287094184 JLDZCLLRVPDIOP-QGZVFWFLSA-N 405.462 1.740 30 10 HDEE C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C[C@]1(C)CS(=O)(=O)C2 1288575603 YMOIICVPVLPHCA-KDURUIRLSA-N 424.544 1.661 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H](C)NC(=O)OC(C)(C)C 1289205164 NMTMUTNUDNXUTQ-QZNHQWIBSA-N 413.540 1.569 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1291306778 GMBYDPUQECZPIO-JKSUJKDBSA-N 400.458 1.534 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1291993101 DQBGNRMJWNEESK-LSDHHAIUSA-N 424.571 1.617 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)c1 1294622583 DAOHMSJOUQUFFW-UHFFFAOYSA-N 408.432 1.705 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCCC1=O 1300472129 YYEQBWPJVGDLBH-UHFFFAOYSA-N 420.517 1.641 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CC(=O)N1CCN(c2ccccc2)CC1 1300547125 GIECHCDAUQLIMH-UHFFFAOYSA-N 420.517 1.236 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1300578701 GHTGVGRIBLHKRZ-SFHVURJKSA-N 404.474 1.100 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1300665202 YLXVDDDEANSNRQ-SFHVURJKSA-N 424.505 1.065 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300886363 XHKYQWBFJVAOCP-NRUGXNMXSA-N 420.510 1.123 30 10 HDEE C=C(Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1301008932 DLTXDXOPNVPWFP-SFHVURJKSA-N 419.551 1.871 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1301012952 JRBVSLUEORGFFJ-UHFFFAOYSA-N 412.922 1.148 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1301069793 FTYRMTXZGROESF-GHTZIAJQSA-N 405.543 1.807 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC)CC1 1301070988 SWAUNXSUPVNQFK-GOSISDBHSA-N 413.544 1.024 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1301390560 JUJFVHBZLBWSCR-QGZVFWFLSA-N 424.567 1.802 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN(C)C(C)C)CC1 1301499079 WZMBUZSBYNPCOG-QGZVFWFLSA-N 417.558 1.088 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(C)(C)O 1302312715 ZGSNFOAJFVWLKM-SZMVWBNQSA-N 418.542 1.340 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccncc2)CCO1 1303001502 BKGKGLVQTOLBJQ-INIZCTEOSA-N 404.434 1.292 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305324880 CZWBZMCVHUPNEJ-GMBSWORKSA-N 409.556 1.717 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1306244033 BJJYYKGSYYEREU-GOSISDBHSA-N 404.478 1.622 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1309654129 JNMDTZFDUCYNLX-HNNXBMFYSA-N 416.540 1.993 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(C)cc2C)CC1 1312770805 UBXIFDIKAFVFMX-UHFFFAOYSA-N 406.552 1.376 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1316033966 NETQWHSIUOMSEJ-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1C#N 1321487729 ILQMUDXIAIVJAI-UHFFFAOYSA-N 414.491 1.396 30 10 HDEE C=C[C@H](COC)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1324016457 PWZMBXZWIKUCMK-SECBINFHSA-N 400.425 1.139 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nnn(C(C)(C)C)n2)c1 1355669721 VILPQBCHQPWJBT-KGENOOAVSA-N 405.484 1.493 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1358890840 WFSQFXUUKUQRBO-WMLDXEAASA-N 421.498 1.256 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCn2cnnn2)c1 1358901982 BWMCTYUSAXATTD-UHFFFAOYSA-N 405.466 1.289 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358961265 VKSBRKAFTKCNFD-QGZVFWFLSA-N 413.503 1.314 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1COCCO1 1358976178 UEZJTGKDNLFGSX-HXUWFJFHSA-N 402.458 1.619 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cncn1 1359002601 GKWBGJBUNKFUDZ-UHFFFAOYSA-N 411.466 1.722 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](F)COC)CC1 1359033087 OWYHFBHRINPIBG-KRWDZBQOSA-N 415.469 1.456 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1359113417 INDOCHOZGUNNCX-OAHLLOKOSA-N 411.528 1.425 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359120903 KKGXIHFINPXPOM-CQSZACIVSA-N 421.523 1.985 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1359336425 PQFITBOEOOBWLZ-INIZCTEOSA-N 419.555 1.437 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 1442499127 VGIBKMMVMVMNMW-UHFFFAOYSA-N 416.413 1.608 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1 1443356972 MATGXJRQQBJQDF-UHFFFAOYSA-N 410.449 1.910 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CNC(=O)N3CCCC3)c(C#N)c2N)cc1 1445159070 REBOHOHGLCMZHJ-UHFFFAOYSA-N 409.494 1.489 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4ncnc(O)c4C3)C2)C1 1447938516 VPEVUFGLHSSFHK-YZGUTLMUSA-N 413.478 1.854 30 10 HDEE Cc1nc(SCC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c(C#N)c(C)c1C 1453596160 LJNACZOYHNKCCV-OAQYLSRUSA-N 418.563 1.703 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)c1 1455008464 JGZMAOWMUAVHFR-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1455950423 YUBIUPQIQDKDKB-IRXDYDNUSA-N 419.547 1.312 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCC#C[C@@H]2CCCCO2)cn1 1457025578 BIABGYFCFSFKJW-AWEZNQCLSA-N 408.505 1.585 30 10 HDEE CN1Cc2c(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cccc2C1=O 1460857935 RBPLSFRADJZWCT-GOSISDBHSA-N 417.425 1.988 30 10 HDEE C=CCn1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)nn1 1461056990 HKJACGVPEQKRBS-OAHLLOKOSA-N 402.842 1.639 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1 1464018042 XGYWXQHZFVQKPK-JSGCOSHPSA-N 400.298 1.802 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1464404589 JELJBHZCASXQCY-WBVHZDCISA-N 417.510 1.466 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn([C@H](C)c3ccccc3)n2)CC1 1465864954 SWUFRLCQDQPHTG-MRXNPFEDSA-N 416.507 1.110 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCOC(C)(C)C)C(=O)OCC)cc1 1466492140 VMGNUFKSJSWKMD-KRWDZBQOSA-N 424.519 1.465 30 10 HDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nncn1C 1467229591 PDDDFPKWAAWMAX-OVCBBOEUSA-N 402.499 1.822 30 10 HDEE Cc1ccc(Br)cc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1470823535 KZOYNTHNJVMXKI-UHFFFAOYSA-N 418.251 1.658 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n1 1470969241 DQRMLHQHEKWEAH-RBUKOAKNSA-N 410.478 1.997 30 10 HDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC#C[C@H]1CCCCO1 1472320970 WJPKMZTZFMEEJI-MRXNPFEDSA-N 422.503 1.205 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1475546082 GPDCNUDJLLCOSJ-IBGZPJMESA-N 408.520 1.993 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)n1 1476801405 PQWAMINIJZIIKI-OAQYLSRUSA-N 408.462 1.967 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(C)c1C 1479182287 VNOYLLVEPZCSDF-UHFFFAOYSA-N 413.482 1.066 30 10 HDEE CCCN1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1500939027 JTRJUOSCPYEHFC-IRXDYDNUSA-N 401.515 1.080 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1504575961 AMNGUFZRBHGPEX-HOTGVXAUSA-N 401.467 1.877 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1507634984 OVNNDWIDWRYTCR-ZWKOTPCHSA-N 417.535 1.316 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1509938220 FDOOYGFZLWXGBD-KGLIPLIRSA-N 410.482 1.578 30 10 HDEE CN(CCOC(C)(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1517339523 MPHMYAVZRARKLG-AWEZNQCLSA-N 421.523 1.944 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)C1 1517672352 UJSILOFNXLQGMU-GOSISDBHSA-N 424.505 1.978 30 10 HDEE COCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1518803040 HCUCVZYCZKIOGW-CRAIPNDOSA-N 417.535 1.971 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cnc(Br)c(Br)c2)n1 1525393875 IEYKCIFNBLQZEP-UHFFFAOYSA-N 400.034 1.500 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2cnc(-c3ccccc3)cc2=O)c1 1525998845 VDPGGGWCURIPIO-UHFFFAOYSA-N 400.438 1.989 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCC(=O)N(C)C1=O 1537025184 KAZSVXBTLAUSFU-LBPRGKRZSA-N 424.251 1.362 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1538961451 ACBNGGYKURSRGG-INIZCTEOSA-N 424.505 1.498 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@H]1CC 1539125402 LUHFNWSJUJCWEX-ZACQAIPSSA-N 409.556 1.649 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1539177736 BEFQHHUNUBAUDU-PBHICJAKSA-N 402.476 1.295 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1539179553 PSQRZCHSAUWSDK-ZWKOTPCHSA-N 401.536 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1539327825 FZUYRZPREOXTJY-UHFFFAOYSA-N 419.938 1.534 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1539360160 ZWRVKCZHFQCFKZ-UHFFFAOYSA-N 420.491 1.195 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1539361851 HFEWZSIYHQMEIL-INIZCTEOSA-N 401.492 1.141 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539525660 AEHWXBZOZUQWRQ-INIZCTEOSA-N 424.596 1.375 30 10 HDEE C=C(Br)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1539579700 BMCMSKMYEWIAES-UHFFFAOYSA-N 422.283 1.807 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1540020996 YOPPLVUWTMCFAP-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540868169 USOBJAIOSSDIEN-HUUCEWRRSA-N 401.398 1.501 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540901865 RRGRBEYTPDPIHQ-HNAYVOBHSA-N 410.540 1.531 30 10 HDEE CC(C)OCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1541748965 ZLEUUIVTWCWHOQ-RHSMWYFYSA-N 416.523 1.535 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](COC)c1ccc(F)c(F)c1)c1cc[nH]n1 1546312738 INBISQUGRGXCDZ-OAHLLOKOSA-N 410.377 1.476 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1555995449 HTPSEJAAQBYXEC-UHFFFAOYSA-N 415.523 1.506 30 10 HDEE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1556782447 IFJWLVCXKPONOA-HOTGVXAUSA-N 405.520 1.996 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C4(O)CC4)CC3)CC2)cc1 1557380780 ZJGNONMWHSDMDN-UHFFFAOYSA-N 417.531 1.722 30 10 HDEE C=C(C)[C@@H](CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)OCC 1557595913 WYGGKRIPNGVDFE-LJQANCHMSA-N 409.552 1.480 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Oc3ccc(Cl)cn3)CC2)C1=O 1558217447 XHLPPIBQAUDIJA-UHFFFAOYSA-N 406.826 1.082 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](O)[C@@H](F)C2)cc1[N+](=O)[O-] 1558744529 JAORUZLWWHBGCR-HOCLYGCPSA-N 417.397 1.925 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCC(=O)OCC 1561922586 QXCRTWILHICFAG-UHFFFAOYSA-N 402.513 1.604 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CCOCC1 1565104991 BAXIWYUOFNJSPH-NRFANRHFSA-N 424.545 1.721 30 10 HDEE C[C@@]1(C2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)NC(=O)NC1=O 1565167365 VQMGCOYJRRWXPW-QFIPXVFZSA-N 424.505 1.547 30 10 HDEE O=C(Cc1cc(Br)cc(I)c1)NCC#CCO 1568142445 UDPQETKNIZFBNY-UHFFFAOYSA-N 408.033 1.708 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1572165655 URMXWPXELYXKNH-FZWBFHRNSA-N 403.523 1.330 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1587632358 KWEHDRTYXJUEFP-HQHQBECKSA-N 417.554 1.510 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1587909564 NPQUKGHXNWGLGE-OAHLLOKOSA-N 417.535 1.698 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(NC(C)=O)c1)[C@H]1CCS(=O)(=O)C1 1588058981 GYDZUMRKDRVBMY-SFHVURJKSA-N 415.519 1.474 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCN(C(C)=O)C1 1588637662 IUSWLIVDIZEXKS-RTBURBONSA-N 403.527 1.864 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NCC=C)CC1 1588768421 FTFSYTHQYNBTOP-UHFFFAOYSA-N 404.474 1.749 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589493979 JSSWPANPFNUNSI-FUHWJXTLSA-N 411.572 1.818 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1596816556 CUBDBMLXUSZVPB-UHFFFAOYSA-N 403.479 1.473 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)c1 1596929886 HCIOHDOIDRBQKH-UHFFFAOYSA-N 411.549 1.178 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC#C[C@@H]2CCCCO2)C1=O 1606801503 LZUNBWJTTSQBJI-VBKZILBWSA-N 421.856 1.935 30 10 HDEE Cn1nccc1CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1607647029 RHIIGALJCQGMNO-UHFFFAOYSA-N 408.506 1.791 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(O)cc2)CCOC1 1610903779 OUAUDMQFUROJET-NQIIRXRSSA-N 413.478 1.801 30 10 HDEE CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@H]1C 1615813550 URGUBECARCAPRI-PRGGQFNCSA-N 417.458 1.513 30 10 HDEE biogenic C=C(Cl)C[C@H](NC(=O)c1ccc(CCNS(C)(=O)=O)cc1)C(=O)OCC 1624252356 XVWWDVXPTDIWAR-HNNXBMFYSA-N 402.900 1.582 30 10 HDEE CC(C)C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1ccnc1 1625121275 MOYFTAXTFXFZLE-LJQANCHMSA-N 415.519 1.875 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1628681053 SXSDEQSPYWJPAO-CRAIPNDOSA-N 401.381 1.601 30 10 HDEE C[C@H](CC(=O)N1CCCc2c(cnn2C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1629872753 HCPOHERRXYSHOD-CYBMUJFWSA-N 401.492 1.212 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 1631208964 RUWGJHQIUWGEPX-AEFFLSMTSA-N 420.531 1.487 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cncs2)C(=O)OC)c1 1633891768 FJQQTHHGDMXDHW-INIZCTEOSA-N 406.485 1.454 30 10 HDEE CCCN1C[C@@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1636295337 RVXHIOHGPSZRHA-MRXNPFEDSA-N 423.521 1.816 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(C(F)(F)F)n1 1637027217 BXQLUQTYXWQWBY-LLVKDONJSA-N 412.393 1.955 30 10 HDEE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1637393310 MSKQIUBRWMGUJF-PVARCSIZSA-N 419.503 1.825 30 10 HDEE NS(=O)(=O)C1(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1639783139 XESZYNIUGXSGOT-WDSKDSINSA-N 416.290 1.437 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1640186392 IWMUKAVQEFKEAA-GJZGRUSLSA-N 408.476 1.481 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(CCO)C3CCN(C)CC3)ccc2c1=O 1640275977 DEMQMLAWHAYSPY-UHFFFAOYSA-N 402.520 1.400 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1640636081 UCTXCAVWWIOAHH-JOCHJYFZSA-N 417.506 1.832 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)cc1 1644823738 ZUAXEWBWWICFKV-SFHVURJKSA-N 420.462 1.804 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(S(C)(=O)=O)[C@H](C)C2)c1 1647757428 MXOMKNBFOVQFKT-MSOLQXFVSA-N 406.552 1.904 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1(C)C 1648028745 MJXNSRSTHNAREU-UONOGXRCSA-N 417.466 1.143 30 10 HDEE CCOC(=O)[C@H](CSC)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1649374626 ORCUIRJNUHBQSJ-WFASDCNBSA-N 409.895 1.975 30 10 HDEE C=CC[C@]1(C(=O)NCc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1651252187 RWKXTHCMHXLMRO-HXUWFJFHSA-N 418.498 1.326 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 1653396867 NVFTWIJTVVVJDA-PGGUUEOZSA-N 424.548 1.943 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC 1655924817 YJJRYRSPYVXPND-UHFFFAOYSA-N 417.505 1.064 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1656149304 IBZKFWDSTQPBGM-YOEHRIQHSA-N 415.537 1.190 30 10 HDEE CN1C(=O)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)Cc2ccccc21 1659470993 MIIOWVNHFNOGKY-IBGZPJMESA-N 423.542 1.936 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C)C(=O)OC 1663617187 DBAJSPPYDNXYKI-SUMWQHHRSA-N 410.492 1.569 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(Br)ccc(OC)c2F)C1 1665457335 NRLLKVQWJAACKI-NSHDSACASA-N 405.289 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)C1 1679943937 DTXJBEVZPZENML-KPHUOKFYSA-N 421.498 1.666 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CC1 1681051622 FBSGZMTURDQWOS-OAQYLSRUSA-N 410.474 1.581 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)nn1 1683483331 VJXUOXPPTITOPA-UHFFFAOYSA-N 402.886 1.714 30 10 HDEE Cc1cccc2nc(CCNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cn12 1683648554 DSHIUOICOLSVJK-INIZCTEOSA-N 404.478 1.767 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H](C)C[C@@H](c3ccccc3)C2)CC1 1686773799 QRFWQGJFTIFWQS-MISYRCLQSA-N 418.563 1.754 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1689923705 ZIZOYRBJQLCXBH-SFHVURJKSA-N 411.554 1.734 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1690009849 MOWOLNOXLSQHMF-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N1CCCC1 1690015490 OAGWFRSALUGKHI-ZWKOTPCHSA-N 406.490 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1690034956 XGQWDQAKTKJFMT-KNKQGSTJSA-N 416.522 1.445 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1690058972 GBKRZJSHKNUWGT-HNNXBMFYSA-N 412.519 1.944 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOC(C)C)CC1 1690132360 OYJAVYDLUKKQMJ-UHFFFAOYSA-N 408.506 1.909 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](COC)OC)CC1 1690133556 LEHOMTDOTOJTRC-LJQANCHMSA-N 417.485 1.413 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)C2CC2)CC1 1690141759 BTPGFPKQCDKIFR-INIZCTEOSA-N 424.553 1.127 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690168062 VHGZGIJMCWFPMR-INIZCTEOSA-N 413.507 1.919 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1 1690234912 QXJFVCYEMDFLBF-SJLPKXTDSA-N 411.510 1.922 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690290385 FJLLBUGZLFTZFA-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690372376 LBZQHYJFUSAPRE-MOPGFXCFSA-N 415.586 1.659 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1690514066 SLGMMKJZLQGZNC-KRWDZBQOSA-N 412.542 1.574 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1694760794 SBAUVXQWDGVHPK-DLBZAZTESA-N 423.477 1.278 30 10 HDEE CCCNC(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695428542 CAAVKUIWHWLZQF-UHFFFAOYSA-N 424.553 1.986 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOC1=O 1698150608 ONBSXFMEIRYGOQ-OXQOHEQNSA-N 420.514 1.974 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1698299772 IDOQFLCWUVHLRG-YOEHRIQHSA-N 411.503 1.581 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1705475637 UEEQMOZGXMQJHV-YESZJQIVSA-N 410.588 1.467 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705523137 SIJHPPGKFLDRFS-MRXNPFEDSA-N 421.509 1.206 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1705531672 RODYVKPTGTXOKJ-AWEZNQCLSA-N 405.462 1.674 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(c2nccs2)CC1 1705538681 WYPSAVLWKPBJHF-UHFFFAOYSA-N 413.551 1.987 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1705566929 RRRNGCOUZPIHFA-LSDHHAIUSA-N 418.548 1.257 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705569411 CLKLYFCKHNJIQJ-QGZVFWFLSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCOC1 1705579536 XLHQAGBEEAYFQH-LJQANCHMSA-N 415.291 1.932 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCC1 1705936910 BAXDVWANPJMIJJ-UHFFFAOYSA-N 400.508 1.718 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CC1 1710698440 XPLLUWULJNEKAS-LJAQVGFWSA-N 416.507 1.261 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1711050828 KMKJODIKWSQFCX-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722278450 MKIKCHBDQBQTQY-OZIGNCPNSA-N 419.570 1.887 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722359996 YSYCUGPZSBPSNR-QGZVFWFLSA-N 401.536 1.840 30 10 HDEE C#CCN(c1nnc(CC)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1722369049 YAVFBQOLTVVHBT-GOSISDBHSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(-n2cncn2)c1 1722387316 JSQNPBFLOMHSOF-UHFFFAOYSA-N 416.489 1.508 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722397963 XVDYLWGBADKKPN-ROUUACIJSA-N 403.552 1.508 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1722430264 CHVWFGILLFRUKR-HXUWFJFHSA-N 416.551 1.903 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2O)C1 1722462638 PKCABAUVAITZIB-UHFFFAOYSA-N 412.519 1.430 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCOC1 1722468809 QBNLDZKGPJJEBI-NJYVYQBISA-N 404.511 1.462 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CC=CCC1 1722725515 PQGOGXXZHZSGEB-INIZCTEOSA-N 409.556 1.810 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC=CCC2)CC1 1722796339 RQZYQFGWHXGNHH-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1723652158 KPVSHGXMRHZVQU-RTWAWAEBSA-N 418.542 1.973 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1724017121 CCYNYGSUMKRKGA-KRWDZBQOSA-N 421.505 1.433 30 10 HDEE CCc1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1727537561 VWZQDPFDAOKTDI-IRXDYDNUSA-N 406.556 1.785 30 10 HDEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1728065277 CRVNWNOTIKCEEK-SJLPKXTDSA-N 413.478 1.889 30 10 HDEE CN(CCc1nccs1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1729505599 ABJWRHBXCZXQQM-UHFFFAOYSA-N 416.532 1.997 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1729724939 XZLQBDHAUQEOEO-YJBOKZPZSA-N 412.494 1.726 30 10 HDEE CS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1731019894 FHGUYKJHXIWRNL-GOSISDBHSA-N 406.487 1.054 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1740550569 IXJASUWXAGEBPH-SJLPKXTDSA-N 424.530 1.872 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740621220 UVSLPTKQRPWLJV-KRWDZBQOSA-N 402.520 1.733 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1740670507 QVSNGZYJSWEQQT-SFHVURJKSA-N 417.535 1.869 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740678378 LDVBPUXYUWPPAD-SPEDKVCISA-N 415.538 1.541 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)SC 1740681538 OVAPKSREYPHZKC-OAHLLOKOSA-N 412.523 1.758 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740756697 JUDZDZHZRWDILJ-PVAVHDDUSA-N 420.539 1.283 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(=O)(=O)CC 1740758559 ZEQGTAQWZMXIEN-NVXWUHKLSA-N 422.555 1.531 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1740884655 IFAQNKFAFYSBEL-IBGZPJMESA-N 415.542 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740986755 GQCPFZYLMSROGV-UKRRQHHQSA-N 424.527 1.662 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)CCOC1 1741724993 VJTPNDBYPFRFRU-RBUKOAKNSA-N 411.478 1.160 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)C1 1741985485 YOZDRLDVVOJSNS-CSODHUTKSA-N 416.526 1.945 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1742399240 GADQSBCHZKOURS-IRXDYDNUSA-N 415.519 1.950 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1748665136 NYNOFDJEZYGFGD-CQSZACIVSA-N 421.505 1.422 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N(C)C1CCCCC1 1748770527 AOWLZNFMPKOSBC-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCC 1748825538 YVWVOVKWAKDZOG-SFHVURJKSA-N 405.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)cc1 1748867286 DYIJFJXGQYVHCH-HSZRJFAPSA-N 421.501 1.540 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC 1748876452 GMEAZNXFPAEAFW-UHFFFAOYSA-N 406.899 1.006 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC)[C@H](C)C1 1749049966 UFIURQZXJPXHBI-SQNIBIBYSA-N 407.584 1.899 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1749131454 SIRFSCNMDRSDCM-IKGGRYGDSA-N 404.515 1.225 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749356320 NXHVCGGFVAFSHU-OAGGEKHMSA-N 401.398 1.915 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749356369 OOLGAXNIVLQVBZ-OKZBNKHCSA-N 412.469 1.858 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749363327 AVIUUEQXIRHFIL-MSOLQXFVSA-N 416.570 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749709832 SJLMWFPOXAHHDJ-PMPSAXMXSA-N 418.498 1.289 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C1 1749713820 ZAZJXSVGHZLYCF-PBHICJAKSA-N 421.498 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1749734728 LQVRGNWDDRHXOB-OAHLLOKOSA-N 419.555 1.363 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1750386055 GMCRZBXAVDACEO-CHWSQXEVSA-N 421.395 1.818 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1751089800 PJSJJFQGSIDQIP-GQIGUUNPSA-N 402.499 1.591 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)cc1 1751554850 DTMSJFUOXFLBAC-KRWDZBQOSA-N 412.494 1.620 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760135169 LJKSVRIAGFBBPP-INIZCTEOSA-N 408.466 1.011 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1760163667 YUTSEAHOSFGQPG-NSHDSACASA-N 414.438 1.002 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCN2CCC)CC1 1760259082 GLAYJSVMWFYVOP-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1760380673 KLBCEIFPRNMRQC-HOCLYGCPSA-N 413.906 1.050 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760439246 ZTJSGFKZCJDLMW-HOTGVXAUSA-N 421.509 1.572 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCCOC2)C1 1760526841 VDEZIMDQNSBTNL-OAQYLSRUSA-N 413.526 1.449 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2([S@](C)=O)CC2)C1 1760539272 ZMRLWPDXNAOPKW-YQCGKFSNSA-N 424.567 1.623 30 10 HDEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1764580202 GILJTAAADQXUNY-UHFFFAOYSA-N 408.510 1.350 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C(C)(C)C 1764909843 FNLMQRYHHNHYQG-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1770460142 CDCTZYQEDRJSIU-KKSFZXQISA-N 410.478 1.085 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCC1 1771218178 BJSWPTFLYASIJQ-WBVHZDCISA-N 404.515 1.094 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 1848715489 YCKVQRGMQLKATM-CQSZACIVSA-N 411.487 1.591 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1850062113 RCYGMPXTFBARAY-FQEVSTJZSA-N 421.538 1.974 30 10 HDEE C=CCN1C[C@H](C(=O)NCc2noc(C3CN(C(=O)OC(C)(C)C)C3)n2)CC1=O 1850791753 AXMPXRXBIPYETB-GFCCVEGCSA-N 405.455 1.055 30 10 HDEE Cc1ccc(=O)n(CC(=O)N2CCN(c3nc(-c4ccccc4)ccc3C#N)CC2)n1 1852434976 GRRDAIJDPGPBCC-UHFFFAOYSA-N 414.469 1.834 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1853676470 MBJHRUNTNGBDJZ-QGZVFWFLSA-N 423.579 1.750 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C(=O)C2)C1 1853741253 LAVDRFIDUPAHRY-LPHOPBHVSA-N 414.481 1.110 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(Cn4cccn4)CC3)C2=O)CC1=O 1854057565 SHKWLQOWEXHCMQ-RBUKOAKNSA-N 413.522 1.147 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCc2ccc(F)c(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854160975 PKHRBFQNBNHQKI-MSOLQXFVSA-N 417.481 1.613 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CCN1CCCC#N 1854270572 WNQFOGYVJWBGRD-HIFRSBDPSA-N 406.870 1.879 30 10 HDEE Cc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4ccnc(C#N)c4)C3=O)CC2)nn1 1854340356 SXMPZIQJNOWOHI-GOSISDBHSA-N 405.462 1.005 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)C[C@H]3COCCO3)ccc21 1854400879 IXNDTSWHLDXZAG-INIZCTEOSA-N 422.503 1.495 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854448192 GOPMRTAQYGKVCE-IAGOWNOFSA-N 424.567 1.476 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854484417 WCAXORONKOZELS-UHFFFAOYSA-N 419.503 1.601 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cncc(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638892 VCVOHPURSPLXKW-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE CCc1nccn1CC1CN([C@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854860215 PDUDKQWPQCFLEO-IBGZPJMESA-N 406.490 1.865 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)nc2n1 1855101063 UIXBZDUACMUTOF-HZPDHXFCSA-N 407.478 1.498 30 10 HDEE C=CCN1CCN(C(=O)CCn2nnc3ccccc3c2=O)C(=O)C12CCCCC2 1856261361 JTNIZNJWICMOGM-UHFFFAOYSA-N 409.490 1.741 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)CC2CCCCC2)C1)C1CN(c2nccnc2C#N)C1 1856266434 IBRNKELUPJPVIG-QGZVFWFLSA-N 410.522 1.814 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)Cn3cnc4c3CCCC4)C(=O)C2)C1 1856827711 DMWKTIHIJNZFLX-OALUTQOASA-N 413.566 1.719 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(CC(=O)C4CC4)CC3)CCC2=O)cc1 1856949066 WYODFALZZGSEGJ-GOSISDBHSA-N 408.502 1.534 30 10 HDEE C[C@]12CCC(=O)N1CCN2[C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1857117469 PRIIUELJBBNTRC-OXJNMPFZSA-N 400.866 1.801 30 10 HDEE COc1ccc(OCC(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)c(OC)n1 1857193341 DQHNXLVFRVHIQM-MRXNPFEDSA-N 416.478 1.478 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccnc2OCC)C1)[C@H]1CCN(C)C1=O 1857264490 NWBOGRVOMYRYOF-RDJZCZTQSA-N 400.479 1.188 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871034563 VEUHHMUHTLCJMI-UHFFFAOYSA-N 423.473 1.760 30 10 HDEE C=CCN=c1nc(Nc2ccc(OC(F)(F)F)cc2)[nH]c(N(CCO)CCO)n1 1871573394 IORXUANEEOVBLD-UHFFFAOYSA-N 414.388 1.325 30 10 HDEE CN(C(=O)[C@H](NC(=O)NC(C)(C)C)C(C)(C)C)C1CN(c2nccnc2C#N)C1 1890483776 KYQIJEIACFWGHR-HNNXBMFYSA-N 401.515 1.508 30 10 HDEE COc1cc(N2C[C@H](CNC(=O)c3ccnc(C#N)c3)OC2=O)cc(OC)c1OC 1890783499 WTMAJGZTXHMTNB-HNNXBMFYSA-N 412.402 1.734 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1c(Br)cnn1C 2020334052 CGCWDSZNDKAGIX-UHFFFAOYSA-N 423.333 1.932 30 10 HDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247830031 WWEGHRHFVDLZON-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2247865408 UTCKTQQCELKMRO-UHFFFAOYSA-N 421.303 1.026 30 10 HDEE C#CCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258171481 PJIYMJAHTRAXJX-KRWDZBQOSA-N 410.492 1.567 30 10 HDEE CC(C)(CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354010 ODGHMKNXGSPMTI-UHFFFAOYSA-N 409.766 1.998 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3CO)cc2Cl)OC1(C)C 2267706974 JCKSGCKNFMQPHE-JTQLQIEISA-N 407.750 1.846 30 10 HDEE CC(C)[C@H]1[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339807 XOLCIHYJXQEYGD-HIFRSBDPSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(CCO)C3)s2)OC1(C)C 2282423694 RYSXPXSBBIRBPT-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@@H]32)OC1(C)C 2282500576 ZABGRCUNDXLFOR-UHTWSYAYSA-N 400.331 1.039 30 10 HDEE CC(C)(NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282502832 QKRIEXSWWYZIAA-UHFFFAOYSA-N 402.709 1.181 30 10 HDEE COC[C@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCNC1 2282614083 OZERICSVRPJMPP-KRWDZBQOSA-N 400.737 1.809 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](C)NC2)sc1B1OC(C)(C)C(C)(C)O1 2282825715 LRGQKNVHEHEWTK-STQMWFEESA-N 400.375 1.775 30 10 HDEE CNCC1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282856473 SUBPUPQYWSENAS-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC(C)[C@](C)(O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876284 AVMDMZRNAIDGIZ-QGZVFWFLSA-N 403.375 1.874 30 10 HDEE CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878527 HIIXJIUYRXWLEV-LLVKDONJSA-N 402.347 1.239 30 10 HDEE CC1=C(C(N)=O)C(=O)N(C)C(=O)C1=Cc1c(C)c(C#N)c2nc3ccccc3n2c1O 2297532311 HITCAXLGEIPFGT-UHFFFAOYSA-N 415.409 1.557 30 10 HDEE COc1ccc(N=c2[nH]c3nonc3[nH]c2=NN=Cc2cccc([N+](=O)[O-])c2O)cc1 2297708391 CGWGFFXCOAMQMP-UHFFFAOYSA-N 422.361 1.669 30 10 HDEE Cc1csc(C#C[C@@H](O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338365632 SXBFOSKUBYFAQR-ZIAGYGMSSA-N 400.522 1.588 30 10 HDEE Cc1csc(C#C[C@H](O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2338397011 LFMXPJKFNDSOMV-KBPBESRZSA-N 400.522 1.588 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2365214269 YVTGVLIDTMIRSY-UGUYLWEFSA-N 400.541 1.568 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365248019 ISJLVWLPHVOEDM-ZDUSSCGKSA-N 405.513 1.976 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2366099850 NAQPRIAYOUMPNT-RZUBCFFCSA-N 412.490 1.289 30 10 HDEE CC(C)(C)OC(=O)N1CCC2CC1([C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2367227709 SUXYSLYYRLZGPL-UARSRXHTSA-N 400.541 1.291 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367794550 ICZBIIGZLJJGMS-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367807271 RRTRQCQHFUJKOW-CLCXKQKWSA-N 400.541 1.292 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCCC1 2367813331 CLXSNHLXWGLDMW-HUUCEWRRSA-N 400.541 1.353 30 10 HDEE Cc1cc([C@H](C#CC2(S(C)(=O)=O)CC2)NN)ccc1I 2367855019 DPGPQABIERTHKF-ZDUSSCGKSA-N 404.273 1.685 30 10 HDEE C[C@@H]1[C@@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2370678432 QBCFQOCFDCJCQZ-SCRDCRAPSA-N 401.359 1.827 30 10 HDEE CO[C@@H](C#C[C@H](O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379867641 XGWLHCLYLPBSSJ-HOTGVXAUSA-N 401.525 1.590 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1=O 410410610 WNPJVZCSDBHQSP-UHFFFAOYSA-N 405.398 1.446 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1C#N 427214108 VVFWIOSINRIEFH-UHFFFAOYSA-N 410.452 1.742 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ncc(C#N)cc3Cl)cc2)CC1 431566511 UNRVZJFMRHISJK-UHFFFAOYSA-N 419.894 1.795 30 10 HDEE COC(=O)[C@@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Cc1cccc(F)c1 443071712 OIEHSTBAOVGLAT-CYBMUJFWSA-N 421.406 1.916 30 10 HDEE COc1c(F)cc(CC(=O)NCCOc2ccc(C#N)cc2)cc1S(N)(=O)=O 461195478 PHCOTYGMOFDSMW-UHFFFAOYSA-N 407.423 1.091 30 10 HDEE N#Cc1c[nH]ccc1=NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 463946752 QHVUDEYSLOQQNT-PAADORIXSA-N 424.460 1.793 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)CC1 466071355 AKXNBVLKEGSPLV-PXNSSMCTSA-N 419.595 1.760 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4CC[C@@H](C3)N4C(C)C)CC2)o1 467205389 HIZQYSBIPJNTBK-MSOLQXFVSA-N 400.527 1.450 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2cccs2)C1 483087831 JXQDYDAPNGMSLU-BBRMVZONSA-N 405.501 1.887 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(CC(=O)Nc4nncs4)CC3)CC2)c1 512686934 KTLSVFFAXAWNDY-UHFFFAOYSA-N 414.466 1.363 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(I)c[nH]2)CC1 524522584 BGAQXZHHMFAION-UHFFFAOYSA-N 407.215 1.848 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccon1 531684444 HYIDINDGXBFCTB-UHFFFAOYSA-N 422.491 1.752 30 10 HDEE CC(=O)N[C@H]1CCCN(C(=O)CNc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542008702 JJEZJFFCQDAAOG-INIZCTEOSA-N 400.870 1.936 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 544888561 NJNZFBZYLCQUNX-UHFFFAOYSA-N 410.453 1.662 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 545284503 RVFDBFSYINDSPA-LSDHHAIUSA-N 418.519 1.644 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)n1cnc(C#N)n1 546673102 SAGFGSKVFQFOBF-NSHDSACASA-N 408.871 1.787 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cc(Br)c(O)c(OCC)c2)CC1 557888422 AMMWRACVFUWNRH-UHFFFAOYSA-N 412.328 1.973 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CO)c3ccc(Cl)cc3)CC2)o1 564464861 CKWKKYKWZJOLAT-KRWDZBQOSA-N 403.870 1.480 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 732141219 BSLVGZLAJJEKRT-HNNXBMFYSA-N 407.492 1.337 30 10 HDEE NC(=O)N=C1C=CC(=C(O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2cccc(O)c2)C=C1 732178136 YIZPLZURZQYMKC-MRXNPFEDSA-O 415.495 1.962 30 10 HDEE Cc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C(=O)N1CCCC1 732416766 AIOVXGLHPMRCGV-HNENSFHCSA-N 411.462 1.879 30 10 HDEE Cc1noc(COc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)n1 734073355 HVGGNRCYPRYZNJ-MRXNPFEDSA-N 410.434 1.094 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn(CCC)c2)c1=O 735069242 QDQUUFFAIPEYDL-UHFFFAOYSA-N 411.531 1.264 30 10 HDEE Cc1ccc(Br)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737305326 GUPKLJBEFSJPCN-PFONDFGASA-N 421.251 1.339 30 10 HDEE C#CCN(C(=O)c1ccc([N+](=O)[O-])cc1Br)[C@H]1CCS(=O)(=O)C1 739700388 HYQIWQFBRUKKLJ-NSHDSACASA-N 401.238 1.620 30 10 HDEE CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 743511241 DSFPKZFNZNZWFC-HEHGZKQESA-N 415.519 1.929 30 10 HDEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Br 746795776 HUMJVVAQTIQQHW-CYBMUJFWSA-N 407.268 1.595 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)c(F)cc1Br 750312733 FNLXYHXONKBBSM-SQFISAMPSA-N 400.179 1.984 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CC1 750617883 YTKDNXAYJJJXFF-MUUNZHRXSA-N 418.441 1.766 30 10 HDEE Cc1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC[C@H]2CCOC2)c1 755590146 QORVPKLRSYAPPE-XGNMISCSSA-N 413.474 1.943 30 10 HDEE COc1c(Br)cc(C=NNC2=NC(=O)C(=O)N2)cc1Br 765593034 ALBPLHLVOWKUOS-UHFFFAOYSA-N 404.018 1.156 30 10 HDEE COCCc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 768345113 YAMJMTPWIQGVHC-UHFFFAOYSA-N 405.480 1.066 30 10 HDEE COC(=O)c1n[nH]c2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc12 772306525 LTUFUEGZUBYQSJ-UHFFFAOYSA-N 405.418 1.970 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 772906308 SRIGEHCRVAAVIW-BZSIDJSBSA-N 424.379 1.997 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 780882347 HBKOBNJAPIOOPO-IBGZPJMESA-N 417.462 1.700 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCO[C@H](C(=O)NC)C2)cc1OC 782090262 WOTYQVTUGGLWNQ-SFHVURJKSA-N 407.467 1.198 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCn2cnc3c(C)cccc3c2=O)n1 788814831 IDYAELMLGIOZOZ-UHFFFAOYSA-N 407.474 1.600 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 797292648 SVPROTQWYYITRQ-YVEFUNNKSA-N 404.485 1.340 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 798846964 DDIOJRJBUNRRSP-ZWKOTPCHSA-N 402.476 1.759 30 10 HDEE Cc1ccncc1N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 799153663 DPRXHIHSSKYHJQ-UHFFFAOYSA-N 404.474 1.806 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)CC2(C#N)CCCCC2)C1 800958222 KODZBNIQOIAMMT-LSDHHAIUSA-N 401.529 1.608 30 10 HDEE CN(C)C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Cl)cc1 802142492 BCKXYNZQQLZXAG-HEWTWTGNSA-N 405.886 1.768 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CCCC1 810206018 XTEFFKYHWGALGG-UHFFFAOYSA-N 411.462 1.977 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812429707 UKZVPELUVMQIAP-DLBZAZTESA-N 415.519 1.312 30 10 HDEE CC[C@@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O 913708417 HXTADCSXILNSCP-IBJAEKGXSA-N 406.483 1.569 30 10 HDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917701206 WSFOFNPWYOYSLY-LRDDRELGSA-N 413.503 1.683 30 10 HDEE Cc1cc(C)n(C(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)n1 1084043001 QHXAADWCPMELBS-UHFFFAOYSA-N 402.488 1.461 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C1CCOCC1 1131468610 HLVJOJDWKRRNAA-MAUKXSAKSA-N 407.536 1.604 30 10 HDEE CC(C)OC(=O)[C@@H](C)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1137105761 IJBQEESYKGJYFZ-HNNXBMFYSA-N 423.535 1.989 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1139811220 GXOKPPUZMJJYPL-YLJYHZDGSA-N 420.444 1.968 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)cc1Cl 1148193503 BZKTZUGJQAPKKT-QAPCUYQASA-N 416.909 1.934 30 10 HDEE N#Cc1cn(CCNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)nc1O 1148392754 HGXQSAASYXXLRP-UHFFFAOYSA-N 410.430 1.220 30 10 HDEE CCn1ncc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1148636843 MNARKOOCWCWYLV-UHFFFAOYSA-N 404.496 1.213 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1cccc(Br)c1 1151049960 FKXDMOHJLNNYEC-DGCLKSJQSA-N 401.286 1.045 30 10 HDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1=O 1154223585 KSZJTPOQCLFKGD-QHCPKHFHSA-N 403.486 1.693 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 1174956404 HOGUEUMWOXRAHT-UHFFFAOYSA-N 411.510 1.149 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1192941043 DSNNLTSMXCTDFA-UHFFFAOYSA-N 402.538 1.644 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC(C)(C)CNS(N)(=O)=O 1206202904 JRXHQUDGBZZILX-UHFFFAOYSA-N 421.317 1.707 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CCN1Cc1ccccc1 1246567072 XUEVLOUCXOSZPN-SFHVURJKSA-N 408.462 1.203 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286350157 WEYHODJFKQMYPE-QGZVFWFLSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286388319 NIXVUUDFAJGUDU-FUHWJXTLSA-N 402.520 1.854 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1([S@](C)=O)CC1 1286403597 MJRRSRQWNZWINQ-LJAQVGFWSA-N 410.499 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC 1286408220 ANMHRCYQYWSQIF-SFHVURJKSA-N 412.515 1.700 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286452247 LZBQGFRSPKMUJX-OAHLLOKOSA-N 405.499 1.883 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1286494436 SZJSCBADNPAIAE-ZHRRBRCNSA-N 417.554 1.372 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCS(C)(=O)=O 1286561009 LKCBFNNERRMCFI-RDJZCZTQSA-N 420.539 1.587 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286606717 YWEBKZFAEJEPDV-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286670949 PUXXJYSHMPRFND-UHFFFAOYSA-N 419.555 1.855 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1286711088 IJGDHQXIGRGKOI-UHFFFAOYSA-N 423.477 1.883 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1289239167 FIDPFKNNTDRKMG-GFCCVEGCSA-N 408.491 1.692 30 10 HDEE Cc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1289840986 HIVILFPPLFQURR-IBGZPJMESA-N 424.505 1.907 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](c1ccccc1)c1nc[nH]n1 1299112386 AOJXNZPVGKLLFX-KBXCAEBGSA-N 424.486 1.591 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1)C(=O)OC 1299177597 BZIIUZZZMCGJHF-YYIAUSFCSA-N 408.495 1.862 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1300504853 USWQAVSRBNIBSO-GJZGRUSLSA-N 423.564 1.702 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301196677 HQWHIAAITCSHQC-MPGHIAIKSA-N 413.544 1.239 30 10 HDEE COCCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301636346 HJXOLDOUYXXXIZ-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1301967067 AIGRAFBHNASWSU-HYVNUMGLSA-N 415.519 1.780 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1302081335 ULGGCCZJQDIZMA-AWEZNQCLSA-N 402.455 1.184 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(C(C)C)C1 1302099275 UECPQCXXNPUUPL-GUDVDZBRSA-N 420.558 1.851 30 10 HDEE Cn1c(=O)[nH]c(NCc2ccc(Br)cc2N2CCOCC2)c(C#N)c1=O 1306999063 HKJXNNJBNRWMFQ-UHFFFAOYSA-N 420.267 1.156 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 1309618365 AFZMINNNMMRQIM-GOSISDBHSA-N 410.492 1.740 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1309733618 QAUGTLUPHGDTGE-RBUKOAKNSA-N 408.520 1.993 30 10 HDEE C=CC[C@H](CO)CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1312310882 RYXYFLPYXLOMCC-LBPRGKRZSA-N 410.414 1.843 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1)C(C)C 1312807982 IZBDQZGXDHELOP-MRXNPFEDSA-N 403.479 1.838 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC1 1316536095 LJNFZYQXEPRHFP-IRXDYDNUSA-N 407.540 1.737 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)ccc1OC 1353364138 KCFMFCDTJSDRFF-JKSUJKDBSA-N 417.462 1.404 30 10 HDEE COC(=O)c1ccnc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 1357484319 OHTVMONOEJDVCC-XLNRJJMWSA-N 416.459 1.933 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358936017 AEAVTQICNHEXBK-FQEVSTJZSA-N 405.499 1.621 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCN(CC)CC1 1358951361 STMRSWUQTAQOAA-MRXNPFEDSA-N 401.584 1.729 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1359023440 KTRPREBXHUVVLH-UTKZUKDTSA-N 415.494 1.433 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOCC2(C)C)C1 1359318727 KSRRPNNWFYSRQC-SFHVURJKSA-N 415.542 1.571 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359341073 KYCWLXIXSHUBIC-DLBZAZTESA-N 404.540 1.982 30 10 HDEE C=C1CC(C)(C(=O)N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1 1440785630 QYHBYNUKGJRTKJ-UHFFFAOYSA-N 420.535 1.107 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(F)cc(I)c2N)C1=O 1448524395 YSWVOSIOPIIZRB-GFCCVEGCSA-N 417.222 1.871 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1453341760 BOWCBALZUOJVSR-YOEHRIQHSA-N 414.549 1.620 30 10 HDEE Cn1ncnc1C1(O)CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 1455274084 LMOYBBQAYDYNDB-UHFFFAOYSA-N 414.897 1.677 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1461662017 NAJOALWTUVLJGL-PKOBYXMFSA-N 415.519 1.753 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1462162612 JIBXMXWACSYAJJ-QRWLVFNGSA-N 403.435 1.086 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c(N)c1 1466018163 RHVCVYMHFJLSRM-UHFFFAOYSA-N 414.487 1.757 30 10 HDEE COC[C@H](C)n1c(SCC(=O)N[C@@H]2CCN(O)C2=O)nnc1-c1ccccc1 1468373373 CEFQYDFPZXPXQP-GXTWGEPZSA-N 405.480 1.351 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)c1 1468374752 WRUGXNVBFIYCNV-MRXNPFEDSA-N 415.402 1.382 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1471409896 HKXHSROMONBKEZ-INIZCTEOSA-N 403.458 1.070 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CO1 1471486677 MUDNRFZARBHADK-HUUCEWRRSA-N 403.439 1.667 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CCCO2)cn1 1471520328 MHYCKUBIFUIFNN-OAQYLSRUSA-N 412.469 1.968 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC 1471585813 YDIRNEGTJXPAPN-CYBMUJFWSA-N 422.425 1.998 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 1472727888 PXDUBZWBFTUDPI-UHFFFAOYSA-N 420.304 1.948 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 1475215450 CEPOHAWAXJMIIX-UHFFFAOYSA-N 408.476 1.825 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 1478737336 VQTRTWNBGOIQFA-HXUWFJFHSA-N 414.550 1.880 30 10 HDEE Cc1c(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCC#CCO)CC2)c(C)c1C 1479162257 VYZVXLZESAZYNH-UHFFFAOYSA-N 407.536 1.240 30 10 HDEE COCC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1479218049 JQMSYTHYTCBIEW-UHFFFAOYSA-N 408.524 1.637 30 10 HDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)n[nH]1 1492691372 HBGNSGZBWBYDQL-MRXNPFEDSA-N 408.466 1.623 30 10 HDEE CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1503702930 XAIZQWZAMHZADE-GOSISDBHSA-N 405.503 1.848 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507554291 ONRUMFNINUZFRH-SFHVURJKSA-N 414.554 1.962 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CC1(O)CCS(=O)(=O)CC1 1507814463 ANWRRLSPBDUQGN-UHFFFAOYSA-N 406.512 1.077 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1507843991 ADBIINWFPCPXFN-QGZVFWFLSA-N 424.567 1.922 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507933652 ABUQZECIPOJSKB-GVDBMIGSSA-N 412.556 1.777 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1507955253 WYPUTVKVJHKBTG-QGZVFWFLSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC1CC(F)C1 1508143385 YDJURUOMOXFVFM-PCKAHOCUSA-N 400.520 1.957 30 10 HDEE CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1508715442 NPPKNBRGLYKNIO-VXGBXAGGSA-N 421.445 1.497 30 10 HDEE CCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1514828058 CCONVTSUIOXMSH-KRWDZBQOSA-N 420.525 1.927 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1517840665 GEEVRWUIUMOERD-IRXDYDNUSA-N 415.494 1.532 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCO)c(OC)c1 1538965046 ZRUPDHNNXSZSJK-OAHLLOKOSA-N 415.494 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1538975269 ZDEWVPZUUKOLGS-MSOLQXFVSA-N 424.615 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1539028971 FMMTWHRUGGHPEZ-SFHVURJKSA-N 411.506 1.791 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1539062447 AMURKFHSMKXYAL-UHFFFAOYSA-N 423.525 1.886 30 10 HDEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1539142149 KZUQZQFVNGLPPO-WCQYABFASA-N 413.454 1.822 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCOc1ncccc1F 1539194271 VZSJUHCHLLHZLG-UHFFFAOYSA-N 414.466 1.952 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1539206212 NMTHEURTBCBGBQ-SFHVURJKSA-N 404.540 1.422 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539437923 KACSWNSPTPYYSD-MBSDFSHPSA-N 409.534 1.803 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCc2ccco2)CC1 1539454095 IHXRUSRMQPHIDN-UHFFFAOYSA-N 424.530 1.595 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1539722387 NCZSCUHRHVKPHI-HNNXBMFYSA-N 402.503 1.479 30 10 HDEE CC1(C)CO[C@@H](CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1540648104 WICSLECVPGFZJA-KRWDZBQOSA-N 405.520 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC 1540868544 IXEQIMFOGYNTEX-UHFFFAOYSA-N 405.528 1.387 30 10 HDEE COc1ccccc1CN(CCO)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1545910344 RTKXPXDDEZTTEW-UHFFFAOYSA-N 406.435 1.766 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1546274759 UOFMQICEWSRTOW-INIZCTEOSA-N 413.540 1.177 30 10 HDEE CNC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1554486206 GOIQSBHXYKDVKZ-KXBFYZLASA-N 400.414 1.369 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC[C@H]1C 1555171745 KTSVEJMMPZSVDI-RHSMWYFYSA-N 418.523 1.227 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)ccn1 1556464800 GWEFHUYGIDPPBM-UHFFFAOYSA-N 401.379 1.379 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)C2)c1 1557718673 HKMSFYMMACHJRV-UHFFFAOYSA-N 401.426 1.452 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC#N)CCC(=O)OC 1557987343 GGSCVOISSCQQJX-OAHLLOKOSA-N 420.491 1.199 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3cncc(C#N)c3)c2)C[C@@H](C)O1 1558449486 GSDLXVNAZBCLLL-GASCZTMLSA-N 414.487 1.681 30 10 HDEE NC(=O)c1nccnc1C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633556 CZWYTIIMMPJVGB-PHDIDXHHSA-N 418.244 1.819 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(F)c3cccnc23)c1=O 1559448535 FQVASQJECYZAHZ-UHFFFAOYSA-N 410.405 1.959 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1ccc(Br)cc1C#N 1560058354 PQGFVDSDGRZLPQ-AWEZNQCLSA-N 401.282 1.483 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)[C@H](Cc3ccccc3)C2)CC1 1560215606 FSAQNBYWWCYDTA-NJDAHSKKSA-N 424.570 1.992 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3[nH]cnc3Br)C2=O)cc1 1561461838 COSVZOHRDXHZMF-GFCCVEGCSA-N 424.280 1.518 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1562032568 FYNCKBXQFYRUGJ-UHFFFAOYSA-N 408.245 1.645 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2csc3ccccc23)CC1 1563592157 QOBWWQXADOUJGJ-UHFFFAOYSA-N 406.533 1.239 30 10 HDEE CCc1nnc(O)c(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1CC 1566318155 UMSBGFYENSAPGT-UHFFFAOYSA-N 406.439 1.673 30 10 HDEE CN1CC[C@@](O)(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1567317761 WNUQPMGJFWPBLO-XMSQKQJNSA-N 414.506 1.575 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(O[C@H](C)C(F)(F)F)nc2C)CC1 1568701221 IYARNAISTZRVEE-CQSZACIVSA-N 412.412 1.227 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCO[C@@](C)(C#N)C3)c2)C[C@@H](C)O1 1585431289 BMJYCGCRNJNNKP-KHYOSLBOSA-N 407.492 1.239 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585675518 VTCSDMXPNXUXDJ-UVHUJADSSA-N 410.514 1.286 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1585972943 GWLMTRFZJZECQL-LSDHHAIUSA-N 400.541 1.917 30 10 HDEE C=CCCONC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1586066428 PVVDAJBTLXNQLD-UHFFFAOYSA-N 407.286 1.611 30 10 HDEE CC(=O)NC[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1586550980 QTXBTZRFBMQSAK-QGZVFWFLSA-N 402.300 1.271 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1587610943 GSPKDILUMAQNRG-APWZRJJASA-N 416.522 1.867 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588045007 FJENSHIEHCCTCP-HNNXBMFYSA-N 403.508 1.128 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1588049392 GEJLXWTVGKDIBX-HNNXBMFYSA-N 405.911 1.879 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588053322 CKENWZFJLMRIFI-SQNIBIBYSA-N 424.567 1.817 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1588105094 LBHZKGLLCLZPGS-GOSISDBHSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1 1588229277 SKRLNFVDFXLLRH-LJQANCHMSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1588314864 SPHWNQHQSCBQKH-MRXNPFEDSA-N 422.489 1.457 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCCC1 1588581181 JMFKFQLHTLBWNC-OAQYLSRUSA-N 406.527 1.710 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1588752769 VHDJJFWLAXPYOC-FHWLQOOXSA-N 419.570 1.961 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCS(C)(=O)=O)CC1 1588769253 QHZFJRHWRBVZGD-UHFFFAOYSA-N 413.503 1.491 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccncc2)CC1 1588885354 VXTYTUMNGWRJSL-UHFFFAOYSA-N 423.521 1.020 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1593729706 NQVGCRHXNAXQCL-OAQYLSRUSA-N 415.542 1.572 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593878259 FXFKMZWANQKGIS-UONOGXRCSA-N 420.905 1.457 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccnn2)CC1 1594492020 QWIJBLACZCYIQZ-MRXNPFEDSA-N 410.526 1.948 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1594534439 OUMNOFYDWFJRPT-JFIYKMOQSA-N 420.531 1.537 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1594819904 OLBHQPXOERIGDC-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CCC)C1 1595561873 FQXHVUFMYPHJLU-SFHVURJKSA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1595570150 YULPMEKUANNRTC-UHFFFAOYSA-N 424.549 1.718 30 10 HDEE Cc1nccn1CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1612443918 KKBADLUQXNJLIZ-HXUWFJFHSA-N 414.489 1.828 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4OC)n3)CO[C@H]12 1616132273 MBERMFJXRXLJMZ-QFHJOOASSA-N 411.462 1.584 30 10 HDEE CCOCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1617143684 XENDPCWHBFYIQE-UHHPSXQGSA-N 418.498 1.171 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 1618726991 DQSQYEWAQDYTJL-GJZGRUSLSA-N 403.483 1.338 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1619615055 VRJHVCYMTRPEDB-QZTJIDSGSA-N 400.458 1.906 30 10 HDEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1620222410 BOPAADWQUMDMHH-ZIAGYGMSSA-N 411.553 1.195 30 10 HDEE COC(=O)C[C@@]1(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 1624795253 XXVCPQGLXZKYSR-NRFANRHFSA-N 403.284 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCO[C@@H](C#N)C3)nn2)CC1 1626971183 GCHGOKRPULAZPF-GJZGRUSLSA-N 404.471 1.605 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1627302553 CQOKGKNRJZLRSH-JKSUJKDBSA-N 405.499 1.705 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 1629537089 PXYJLJIZLJZINL-GOSISDBHSA-N 403.548 1.888 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1629722051 FBKSGYNPBQMXJB-AZUAARDMSA-N 421.501 1.724 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 1631129872 LXTAAIAQWJCMTR-DYVFJYSZSA-N 422.434 1.681 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1633141347 WNGRWCSBTBIXIX-UHFFFAOYSA-N 404.410 1.361 30 10 HDEE CC(C)CC(=O)Nc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1F 1633549999 HNYNANFMILLHDB-UHFFFAOYSA-N 401.398 1.374 30 10 HDEE C#C[C@](C)(CC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1635827295 KETMEGQFBOMBSB-HXUWFJFHSA-N 406.504 1.792 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 1635833382 XRNVLBHWDXDAOM-QGZVFWFLSA-N 405.447 1.792 30 10 HDEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1636816827 QITSRLFOOYRERP-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)COc1cccc(Br)c1C#N 1637466598 IEMUQPFYOKLMEY-AWEZNQCLSA-N 407.268 1.900 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1638475895 ZTKSELSWJZVSBC-UHFFFAOYSA-N 418.862 1.178 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cn(-c3cccc(OC)c3)nn2)c1 1639128775 USIAKYHNPGGYPR-UHFFFAOYSA-N 411.443 1.440 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H](Cn2cncn2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1639509780 GXEXYBKMVPYLLH-KUHUBIRLSA-N 407.471 1.282 30 10 HDEE COc1cccc(-n2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)nn2)c1 1641858402 XXAGASURSJKYNH-UHFFFAOYSA-N 421.413 1.794 30 10 HDEE COC(=O)c1cc(OCC#CCN2C(=O)c3ccccc3C2=O)cc(C(=O)OC)c1 1643331103 RVJTVCMNUWEDCZ-UHFFFAOYSA-N 407.378 1.938 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1643925393 CHNMZRSOPQNRSO-HUUCEWRRSA-N 405.451 1.432 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1654374602 DBXYEPDTPBGVBC-SFHVURJKSA-N 416.588 1.042 30 10 HDEE C=CCCCS(=O)(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1662956919 FFQRDUCLPQBYQM-OAHLLOKOSA-N 400.541 1.937 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1672282331 OUCNMIGPYWNWTE-DAYGRLMNSA-N 422.526 1.487 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccccc1 1674020164 DYCBUSLHPYZLKX-GOSISDBHSA-N 407.499 1.958 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)cc1 1680555642 HQSPSEJVAGFQOF-MRXNPFEDSA-N 409.412 1.943 30 10 HDEE CC(C)(C)CCOc1cnccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1683103234 GKHNACLVNLIUJT-OXJNMPFZSA-N 420.535 1.976 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCc2ccc(Cl)s2)CC1 1686441171 DJYCHHFRENMNBC-UHFFFAOYSA-N 418.972 1.519 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C2)nc1 1687789516 CVSANQPPSIQYEV-HZPDHXFCSA-N 408.466 1.314 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1689923011 HZFIREDBZLKBIL-UHFFFAOYSA-N 416.489 1.574 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1689946020 MATGSRFGQNSWCG-INIZCTEOSA-N 404.540 1.484 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689989628 HKGZQWIMPQJSHU-SJORKVTESA-N 408.568 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H](C)C1 1690092349 FILNEVFDFOQIIP-SFHVURJKSA-N 402.543 1.332 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1690660269 CVJAUEMIGFADEY-INIZCTEOSA-N 404.540 1.460 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2cc(OC)cc(OC)c2)CC1 1690661172 WGJAHIVCPXJVNB-UHFFFAOYSA-N 414.510 1.228 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690664115 KMWLGJSNMRNILO-QRWLVFNGSA-N 401.467 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)(C(N)=O)C1 1690666998 NKRPPDCBXQATSI-LJQANCHMSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690671329 UBZYUODRXUKJAK-IRXDYDNUSA-N 418.542 1.515 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CC)C1 1690696797 JDIROUAYQNRZBX-VLIAUNLRSA-N 403.483 1.948 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1694995921 LQFKKGPTXAEXSS-YXVLKGNQSA-N 412.491 1.019 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1695769818 LWRKOLBLYFNUMS-AWEZNQCLSA-N 407.496 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1705501221 GQEPJILIECOBEW-HOTGVXAUSA-N 418.519 1.758 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705567639 XRMJSGWFJNSTQN-WBVHZDCISA-N 419.507 1.491 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCCC2)nc1 1705571836 JHWMCNZQWCOUEK-UHFFFAOYSA-N 417.517 1.630 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1c(C)nc2ccccc21 1705627778 PGVXLRIGLSNMDA-GOSISDBHSA-N 421.505 1.674 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2(OC)CCC2)CC1 1705632694 ZBTQZVDQAXMKHP-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCNS(C)(=O)=O)CC1 1705778511 YOFBNLFPVFCXLY-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705898996 FKTYQASHAIMFTI-HKUYNNGSSA-N 410.522 1.404 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705934244 GJIQGORPFQZBKT-WBVHZDCISA-N 418.523 1.341 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1710446932 BOVRCXORCREQCK-VQTJNVASSA-N 402.499 1.148 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1711073845 KAYCOVHNHPTUSB-IRXDYDNUSA-N 423.477 1.278 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnc(C)s1 1712648137 QZKPOIJLVJSLRX-LZWOXQAQSA-N 404.496 1.544 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1722284911 QNTIXXRSMNABMB-DOTOQJQBSA-N 409.494 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(=O)(=O)CC 1722299405 PFYZQUNCWAUHFT-KRWDZBQOSA-N 419.551 1.871 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1722301282 WVJUXQSWSNCZQI-QGZVFWFLSA-N 416.547 1.575 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722324008 KBLJQCSKTUMKKS-GDBMZVCRSA-N 419.555 1.549 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1722358645 JTYWZBIKBQVHNP-INIZCTEOSA-N 417.535 1.654 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1722367948 NRLPCDGHCFZXLV-INIZCTEOSA-N 412.581 1.288 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722369688 DQMGOPDFJLSJQO-ZWKOTPCHSA-N 423.583 1.316 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1722411182 AJBDMSAEMDZQNK-UHFFFAOYSA-N 418.542 1.988 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@](C)(O)CC)CC1 1722442003 QSDCYUWNFBCWMA-JOCHJYFZSA-N 413.522 1.782 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722526507 XMGBFKDZGTWCMH-XLIONFOSSA-N 402.499 1.818 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722554612 FOASUXLODQVJIX-MCIONIFRSA-N 404.920 1.173 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1723003663 SZNWEVGWEHOWQP-HUUCEWRRSA-N 406.487 1.426 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1729221111 SMOACKCJTMIYMK-MRXNPFEDSA-N 410.544 1.241 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1730761668 CTBXZODZIMGYPT-SFHVURJKSA-N 423.521 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1cc(OC)no1 1736552839 MGWSXGYPKSMPHZ-MMIUEUIISA-N 403.479 1.845 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740579079 LDRMBABJZVUZCK-NRFANRHFSA-N 401.511 1.702 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCN(C)CC1 1740616322 YVRJIBWPZNNDPG-IRXDYDNUSA-N 407.584 1.899 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625934 JFDXFEQYWXCSEL-IBGZPJMESA-N 421.611 1.978 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740674697 QEVTUWCACFOFTN-QGZVFWFLSA-N 413.503 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1740690999 RTXBOAKVXGBVRV-XLAORIBOSA-N 420.583 1.080 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1740698395 UMEQBSDJWSUHHR-UHFFFAOYSA-N 406.534 1.736 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccnc2C)C1 1740969755 ARVBXOXEFGXBRT-KRWDZBQOSA-N 401.515 1.793 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1741678472 FJKXVUNKEWYETK-ROUUACIJSA-N 417.558 1.656 30 10 HDEE C[C@@H]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1742996743 AMBDPRYTBKSWDX-WCXIOVBPSA-N 424.571 1.786 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1745791500 KCYRLKLMQSXWCY-NRFANRHFSA-N 407.478 1.059 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC(OC)CC1 1748634725 JLCSUXLRHMQFGU-MRXNPFEDSA-N 404.559 1.764 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1748672414 UFKJYEAWFLXISX-STQMWFEESA-N 423.461 1.411 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748753491 KQJBTEYYXRGURQ-UHFFFAOYSA-N 424.480 1.942 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748816926 BAYJVERBCCKJCJ-MSOLQXFVSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1c(C)noc1C 1748948618 UBNNKPHRSBCTDR-UHFFFAOYSA-N 423.477 1.859 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)CC1 1748990002 FKJUPTPGODQCMJ-IBGZPJMESA-N 424.553 1.338 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC=CCO1 1749593877 BGMHBFZMNGNQFN-LJQANCHMSA-N 422.493 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C[C@@H](C)C1 1749658951 ZMJHKUFTCQQUPZ-HZPDHXFCSA-N 421.509 1.705 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@@H](O)C2)C1 1749717384 KIJQOIASCOTATC-KZNAEPCWSA-N 403.527 1.733 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCN(C(C)=O)CC1 1749921230 RHDRCUNQMLUMFO-JKSUJKDBSA-N 406.531 1.999 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760146169 DXNBRGHKLLOBHJ-WIYYLYMNSA-N 405.543 1.717 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1760163272 QHNOOZROBROLBL-INIZCTEOSA-N 416.551 1.411 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1760183919 DZVKCLWDRGZTIC-QGZVFWFLSA-N 423.498 1.721 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 1760262432 ODKYZQNIXWYJHD-LJAQVGFWSA-N 414.579 1.566 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1760272695 SFVBMDHSJWBENB-UHFFFAOYSA-N 416.555 1.291 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760279026 OTCAGWGZGNMVQA-GJZGRUSLSA-N 407.565 1.964 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)CC1CC1 1760292949 LQGPPMPKRRWREM-LJQANCHMSA-N 402.524 1.496 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1760370834 GKPDEWZHGPQZRF-UHFFFAOYSA-N 400.874 1.882 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760432918 OKPWGCMYRUMYKN-RRFJBIMHSA-N 410.544 1.102 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1760450687 PPBRFYKXFNPJEY-VQIMIIECSA-N 412.556 1.778 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1760498837 GKBPBKSEOOESEL-GOSISDBHSA-N 410.522 1.943 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1761544698 JFBOBAREMLMKEC-DYVFJYSZSA-N 417.482 1.940 30 10 HDEE CN(CC(=O)ON1C(=O)c2ccccc2C1=O)S(=O)(=O)/C=C/c1ccccc1 1772789345 SVTJLMGPFJDWRL-VAWYXSNFSA-N 400.412 1.673 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc4n(n3)CC(F)(F)C4)CC2)nc1 1852012007 ZQCCUASQBAHFIT-UHFFFAOYSA-N 402.405 1.320 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C#N 1852172152 BXJACCKFGPPRFP-MRXNPFEDSA-N 401.492 1.722 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1852450243 JBDONPGXHLSUGU-UHFFFAOYSA-N 418.519 1.672 30 10 HDEE CSc1cccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1853391702 PDSZYSOXMPYAHD-OAHLLOKOSA-N 422.514 1.772 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1853789109 ABBXGWCRWWWGHJ-SFHVURJKSA-N 418.519 1.304 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1854310520 BGPCHHBJUMUUCT-HKUYNNGSSA-N 419.547 1.865 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(C)c(C)c3)[C@@H](C)C2=O)CC1=O 1854334018 CZGCNWAJXQVXEQ-PKOBYXMFSA-N 411.502 1.580 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1=O 1855423902 IDHUFHYGNYUAIB-VQIMIIECSA-N 410.478 1.599 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C1=O 1855435176 JZAYJTXOXDRSRY-YJBOKZPZSA-N 418.519 1.730 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856306496 JPVOHIGQZDIXIH-OAHLLOKOSA-N 412.519 1.221 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)[C@@H](C)C1=O 1857125722 SIQWIJUECZSJIQ-CABCVRRESA-N 406.504 1.972 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2=O)C1 1857136853 LUCJYDYIUNFCJB-MRXNPFEDSA-N 404.417 1.969 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)CN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)c1 1857236478 HCOAUHGGBWTYJV-MRXNPFEDSA-N 409.467 1.986 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc(OC)c2OC)C1)[C@@H]1CCN(C)C1=O 1857262756 AWWCBENQPOYWOA-DOTOQJQBSA-N 415.490 1.411 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861182312 OYDZCLQCYIFNNF-SFHVURJKSA-N 404.486 1.090 30 10 HDEE CSCC[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866588626 SHRSGDZWZLFJCM-ZBFHGGJFSA-N 409.533 1.559 30 10 HDEE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)ccc21 1867204545 QHQQSFAPYPPRCR-QGZVFWFLSA-N 406.442 1.542 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1Cl 1870151290 RCLRULIKLYFASF-LLVKDONJSA-N 402.842 1.996 30 10 HDEE N#Cc1ccnc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882804126 LNCBSZWQNNBLAU-QGZVFWFLSA-N 417.443 1.638 30 10 HDEE O=C(NCC#CCN1CCCCCC1)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2 1888961065 IYQZNMQTMZEFLY-KRWDZBQOSA-N 418.563 1.341 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3ccc(F)cc3F)C(=O)C2)cs1 1890532022 BVCFMEXVYLXKIL-UHFFFAOYSA-N 420.441 1.822 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 1903633867 JNBPICDLCPKKPY-LBPRGKRZSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N=c1[nH][nH]cc1C#N 1985140424 IRPCHQSYYAVKEC-HNNXBMFYSA-N 413.434 1.669 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N1CCN(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174771542 OHGONUGWUVSLHS-INIZCTEOSA-N 400.545 1.635 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N[C@@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174781820 JIRIKLYIECEQBR-OAGGEKHMSA-N 400.545 1.682 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174784798 RTLVPLHJPITKQJ-GRDNDAEWSA-N 404.508 1.699 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@H](C)N1C(=O)OC(C)(C)C 2174787850 YTBPOXLWZRPZJZ-GJZGRUSLSA-N 401.529 1.966 30 10 HDEE CC(C)[C@H](C#N)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818616 BUTCKGYGIJAYKJ-PGGUUEOZSA-N 401.533 1.721 30 10 HDEE C#CCN(CC(=O)N(C)Cc1nn(C)nc1Br)C(=O)OC(C)(C)C 2214381464 RXCGPNYXNONUGD-UHFFFAOYSA-N 400.277 1.406 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NC[C@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446166 FWAMRSUZELYNTF-YJBOKZPZSA-N 403.545 1.503 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2243387729 ZMPSJPUJRJMSGG-UHFFFAOYSA-N 406.292 1.402 30 10 HDEE Cn1cc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247822240 CYHGRIYYGMHTSB-UONOGXRCSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828757 PMNVELFTKABNPK-OSAQELSMSA-N 418.303 1.447 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371073 VEBOYBNASVSDMG-NEPJUHHUSA-N 405.372 1.456 30 10 HDEE CN(CCCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282015662 ZRBKAJCSQPMFAN-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282301945 SWEDWLHUMKMRJL-ZDUSSCGKSA-N 401.359 1.819 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1C 2282322482 MRDWNLUAUGFDJP-RUZDIDTESA-N 401.359 1.341 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)OC 2282323171 WTSVHGDHDGWCIQ-NSHDSACASA-N 403.331 1.586 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282333241 LXVFYGVIIDFMIJ-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2282339330 XGUMUVMTXCJYPW-MRXNPFEDSA-N 402.347 1.226 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@H]3CSCCS3)c2)OC1(C)C 2282351248 YGEWGSBDWIQHQD-ZDUSSCGKSA-N 416.399 1.508 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)C[C@H]1C 2282585701 OVJQPHQVUOIHAP-SNVBAGLBSA-N 400.331 1.010 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](CO)C1CC1 2282830357 SHNARFXHWBMRQE-CYBMUJFWSA-N 401.359 1.653 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282841819 QALXZMGOLGOWCS-GHMZBOCLSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C(F)F)c(Cl)c2)OC1(C)C 2282842542 ZVWMFOJZYOIAER-NSHDSACASA-N 411.663 1.544 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H](N)C(F)(F)F)c2)OC1(C)C 2282852721 STOLOACBTPSMSB-JTQLQIEISA-N 414.280 1.605 30 10 HDEE CC(C)SC[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854990 YDWBSYAIYWEXQH-GFCCVEGCSA-N 403.379 1.528 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H](CO)C2CC2)OC1(C)C 2282875109 KOXRMQHGSMLYAF-CQSZACIVSA-N 401.721 1.688 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284412621 DBDRRZAVSWLTHK-LLVKDONJSA-N 403.331 1.887 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)c1nc(Br)nn1CCOC 2307985075 VCCUFNUPYNKPOH-MNOVXSKESA-N 403.277 1.637 30 10 HDEE Cn1nc(Br)c(Br)c1[C@H](N)C#CC1(S(C)(=O)=O)CC1 2341990457 KHPIYYCJASAOTC-SSDOTTSWSA-N 411.119 1.526 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@@H](O)c1cc(I)nn1C 2361378062 FFKLTRUGHXGZQI-GXFFZTMASA-N 405.305 1.935 30 10 HDEE COC1(C#CC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCOCC1 2363809451 GMPQWCRWBMNELE-AWEZNQCLSA-N 403.497 1.083 30 10 HDEE CCc1csc(C#C[C@H](N)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363969844 DXYYYLLHQAXGRE-ZFWWWQNUSA-N 413.565 1.809 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367785846 GMABEHLSGOWFSI-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 16559692 IZLROZMZVWAYJM-CQSZACIVSA-N 418.446 1.771 30 10 HDEE C#CCN(C[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)NCC)C(=O)OC(C)(C)C 407671818 UTHMQCXCROLNQP-IAGOWNOFSA-N 401.573 1.897 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCC1CCN(C(=O)c2ccccc2)CC1 410197653 FRNXDYLDJGNCPG-UHFFFAOYSA-N 408.524 1.235 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4c(C#N)cccc4C#N)CC3)C2=O)n(C)n1 436360700 NLVVTCVZRFUHDP-IBGZPJMESA-N 403.490 1.789 30 10 HDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 462399058 BIBTXEHUALRQSI-UHFFFAOYSA-N 418.427 1.489 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c4c(c2)CC(=O)N4CCC3)CC1 462691495 LRODKNWIEAJRBH-UHFFFAOYSA-N 423.498 1.299 30 10 HDEE N#Cc1ccc(OCCNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 466098045 ABDZDWLYKXROBF-KRWDZBQOSA-N 424.457 1.561 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](OC(C)C)c2ccccc2OC)CC1 474141791 LAFYXOKQCIPJQC-HXUWFJFHSA-N 418.538 1.791 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 487126387 VAPYWKFPXOUUQW-UONOGXRCSA-N 413.430 1.916 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccn2)CC1 509724192 JXOWNYYSSYLHTF-FQEVSTJZSA-N 418.501 1.630 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@H]1n1cccn1 518248688 YXZHVWVFUIIXRZ-NLWGTHIKSA-N 407.478 1.882 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(C[C@H](C)C#N)C2CC2)CC1 532818827 UPECBMKRQLSPJB-GOSISDBHSA-N 411.550 1.956 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)COc2cccc(C(=O)NC)c2)cc1 534734913 GQTGHKFVOQTXRY-UHFFFAOYSA-N 417.487 1.870 30 10 HDEE Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1S(C)(=O)=O 536267518 CXZPQHOMJNYZAR-UHFFFAOYSA-N 421.500 1.843 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)[C@H]2C1 537244106 XHOUUIHBTFVZPA-HCXYKTFWSA-N 418.563 1.725 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1 539505885 MRWWRINKHSGRMM-KBPBESRZSA-N 404.496 1.619 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1=O 541190651 NXIDYMRQDNRGRN-HNNXBMFYSA-N 407.883 1.415 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543083709 BAQGZAIRKGMPCM-KRWDZBQOSA-N 410.478 1.249 30 10 HDEE CC(C)(C)n1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 543366664 AZICHLOQOBSNMS-UHFFFAOYSA-N 417.495 1.443 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 549657801 KFOHAXAKBUETHH-RDTXWAMCSA-N 413.544 1.239 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1c2ccccc2C[C@H]1C(N)=O 557811781 ISONFPCPJVGRNZ-AWEZNQCLSA-N 406.261 1.926 30 10 HDEE Cn1cc2c(n1)CCC[C@H]2NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 559022266 RWLMOYMHXCGPKQ-OAHLLOKOSA-N 423.864 2.263 30 10 HDEE CN1CCC[C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1c1cccs1 588128949 UOLPZFYSNLSOHV-QAPCUYQASA-N 403.552 1.351 30 10 HDEE Cc1noc(C2CCC(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 589446181 SQFPDSSNJFXZEA-UHFFFAOYSA-N 403.464 1.371 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OCCO 604128934 DEVZOIILRFGPCH-UHFFFAOYSA-N 411.462 1.365 30 10 HDEE Cc1nc(=NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 610112200 AJFXOKKTHHKOAM-UHFFFAOYSA-N 421.461 1.309 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C#N)nc2)c1 611111735 STVIFEFYWGSYGN-UHFFFAOYSA-N 415.475 1.292 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)O)cc1 611527250 WLWDJHZLMVIBCT-ACJLOTCBSA-N 405.451 1.350 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)c3cccc(S(N)(=O)=O)c3)cc2C1=O 622700987 HEBDOKRRMGDMHJ-GFCCVEGCSA-N 413.455 1.607 30 10 HDEE N#C[C@H]1CNCCN1C(=O)COc1ccc(Br)cc1Br 706116513 WAWGAXGGFXDMMO-JTQLQIEISA-N 403.074 1.914 30 10 HDEE CC1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732706856 QUSDMJCEZIBGSN-FQEVSTJZSA-N 423.517 1.696 30 10 HDEE C=C(COC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 734022681 HSVBBQPZZFHTSZ-HNNXBMFYSA-N 408.476 1.802 30 10 HDEE COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC3 735844077 AEQKDTQFNBWDEJ-MRCUWXFGSA-N 422.441 1.756 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccccc1F)c1ccc(C#N)cc1 740206785 UPQJMINCVTYKBA-QGZVFWFLSA-N 406.391 1.433 30 10 HDEE CC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1F 741689128 AIOWUGWSPNQEAE-IJYGLTAASA-N 406.389 1.175 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c1 742872305 UXIVHWVGWQRHHJ-MRXNPFEDSA-N 421.519 1.727 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1cccc(C#N)c1 751633230 SVUWUOPXPGUNRX-QGZVFWFLSA-N 413.430 1.912 30 10 HDEE Cn1nc(Br)c2c(NN=CCN3C(=O)c4ccccc4C3=O)ncnc21 755683936 WFYTZIFPLKQARQ-UHFFFAOYSA-N 414.223 1.820 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 757097097 XSRKGJGSCZYWID-UHFFFAOYSA-N 405.520 1.795 30 10 HDEE CN1CCOc2ccc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc21 762000928 BGDSATZNCFIHOY-FQEVSTJZSA-N 406.442 1.925 30 10 HDEE C#CCN(C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1)[C@H]1CCS(=O)(=O)C1 774058484 NNIQGSYRUILZGC-HNNXBMFYSA-N 418.475 1.319 30 10 HDEE COc1cc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 778745614 GKGHSOWUJCXCLA-UHFFFAOYSA-N 405.388 1.385 30 10 HDEE Cc1cc2c(N3CCN(c4ccc(S(N)(=O)=O)cc4C#N)CC3)ncnc2s1 780604337 PZBZQNXIJTURQI-UHFFFAOYSA-N 414.516 1.845 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 780932913 SVEBYIOKAKNBQN-NHCUHLMSSA-N 406.486 1.605 30 10 HDEE COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1 782603995 NWPYFIXOCPBWGL-UHFFFAOYSA-N 407.835 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NC[C@@H]3CCCN(CC#N)C3)c2C1 783901231 WTLGBAIJCWDAFE-AWEZNQCLSA-N 402.499 1.668 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=CCC[C@H]1CCOC1 786035316 ARZRLWWOPLJBFI-AWEZNQCLSA-N 412.468 1.830 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](O)Cc1cnn(C)c1 786859974 GOYDKTUIVPYHGG-BBRMVZONSA-N 402.476 1.757 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCCO2)n1 802680770 ZLRKIIJQXHQLRK-RTBURBONSA-N 410.526 1.495 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 803921942 JNCUZHDHKQOXLT-CQSZACIVSA-N 417.437 1.961 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 810164283 CIVSVFMFDVUQJF-BJTZIBPKSA-N 416.507 1.902 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@]3(F)CCN(C(C)(C)C)C3)CC2)o1 811447678 NFJIMJNKQSMCKE-HXUWFJFHSA-N 421.473 1.259 30 10 HDEE N#Cc1cc(S(=O)(=O)NC(=O)c2cnn3c2CCCC3)ccc1Br 821618458 HSIMJJOFTXBSDG-UHFFFAOYSA-N 409.265 1.972 30 10 HDEE CN1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849579223 ZSXKSSCJKBLSEJ-HBMCJLEFSA-N 420.517 1.639 30 10 HDEE COc1ccc(C=NNc2nc(SCC(N)=O)n[nH]2)cc1OCn1cccn1 1084329521 LTLQKUNNXNOMBB-UHFFFAOYSA-N 402.440 1.070 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC[C@@H]2C[C@H](C(=O)OC)CO2)cc1 1125155745 NVRMMNWSDXUUNM-GOEBONIOSA-N 410.492 1.790 30 10 HDEE C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)S(=O)(=O)C1CCOCC1 1132356069 DHCHNBAZCITJIO-OAHLLOKOSA-N 406.504 1.662 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)C1 1139541060 NKGURPCGYDEYHU-GOSISDBHSA-N 403.280 1.496 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1)c1cc[nH]n1 1140799651 PFTFPJUEPHIMGV-CZUORRHYSA-N 401.423 1.125 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 1154958900 MCSFXGKHBUTSAA-JQHMZKTJSA-N 402.539 1.727 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1157531994 SSXDLXBYSGZCJC-SFHVURJKSA-N 416.441 1.962 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 1167231721 IUTGZJLGFQPGCL-ACJLOTCBSA-N 412.471 1.055 30 10 HDEE C[C@@]1(c2cccc(Br)c2)C[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167526968 IDLZMKAISLWPRO-KDOFPFPSSA-N 417.263 1.677 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1170350665 DJZISBBRUWUXRF-SJORKVTESA-N 423.535 1.741 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)C(=O)OC 1193581970 QXLIYTZEIVKBCN-ZDUSSCGKSA-N 420.509 1.243 30 10 HDEE COc1ccc(N2C[C@@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC2=O)cc1 1230811355 DIAGHMBMUXFAKJ-KRWDZBQOSA-N 420.473 1.599 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1248595498 ORWCHDUCWSWYGX-UHFFFAOYSA-N 421.501 1.912 30 10 HDEE COc1cc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(Cl)c1OC 1251674977 ONJZLQKOFGADBS-UHFFFAOYSA-N 419.825 1.258 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392482 HHXPOERBXOCMQB-IAGOWNOFSA-N 408.568 1.918 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286393294 JQZKEDDZPKTJTP-ROUUACIJSA-N 407.584 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCn1cc([C@H]2CCOC2)cn1 1286459580 REEUIHTZPBRVTN-SFHVURJKSA-N 423.521 1.770 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1F 1286464501 CBCNEXXQOCYCDM-DOTOQJQBSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC(C)CC2)CC1 1286470460 ZMRVDCVZKZVDRN-UHFFFAOYSA-N 415.586 1.294 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)cn2)CC1 1286493312 NMFDDGKRHGLVCL-MRXNPFEDSA-N 412.469 1.330 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286560995 LFXDURVMZXIDDX-DZJNRPSUSA-N 402.499 1.510 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1)C1CC1 1286737489 MVLSDJRBIXDWBE-NVXWUHKLSA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286791413 SQYZSRHGJALEFS-HNNXBMFYSA-N 417.514 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286794016 SSBBQQRJLBYRHB-ZIAGYGMSSA-N 416.448 1.505 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286972039 MVMRUXCZHNQOCZ-RHSMWYFYSA-N 418.523 1.616 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1288774462 YOZNGFASMSTXHO-QWHCGFSZSA-N 423.543 1.960 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1293228877 PNBLOLPTWATNNI-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1297585224 AIDRDXVKYMFUBY-INIZCTEOSA-N 419.507 1.389 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1297785103 AISQKXKKKFELMQ-UHFFFAOYSA-N 420.514 1.687 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1298179095 XUIDXVXFXTXYKQ-MSOLQXFVSA-N 423.535 1.297 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1299210839 QWSSSVHSVPOOTE-GCJKJVERSA-N 424.505 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1300303482 KYUPPGOFFOJKQS-XLIONFOSSA-N 424.549 1.870 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Cc1cccc(F)c1)n1nnnc1C 1300396334 ONZVUHOOZGRIIH-QGZVFWFLSA-N 401.442 1.708 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300456171 WSTLUZWNKAPPNC-NRFANRHFSA-N 408.462 1.067 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300459818 XCBVQTRLFMOLBJ-OAHLLOKOSA-N 400.483 1.106 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CCOC 1300621973 STPHEBRISHRZMV-NRFANRHFSA-N 410.478 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC)nc2)CC1 1300684303 ZQJJSXPAILQKQL-QGZVFWFLSA-N 414.510 1.209 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2oc(CC)nc2C)CC1 1300706119 IUIQTPMNYFEHPS-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE C=C(Br)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)C 1300862821 GGXPIDHJZKWXBK-UHFFFAOYSA-N 400.321 1.779 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300984375 AZYAGMZQFZIOGB-AOMKIAJQSA-N 424.505 1.870 30 10 HDEE COC[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N)OC 1301011353 CCIKVHGBTPQDHM-KBPBESRZSA-N 411.466 1.994 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1CC 1301289420 FPYQXRCFBUJWSE-UHFFFAOYSA-N 419.493 1.957 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301578441 ASNUDTFBHRBVBA-RDJZCZTQSA-N 421.523 1.181 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C(N)=O)C1 1301601705 HVPHYDYCJBCPSL-AWEZNQCLSA-N 401.492 1.905 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1303384791 DGMILSJAVDDHDI-JXFKEZNVSA-N 403.531 1.267 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1OC)C(=O)OCC 1309761895 PSQREFBKRGWWSS-LBPRGKRZSA-N 405.856 1.834 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC)nc2)CCOC1 1314111472 DIDRSTMXIMNPPZ-VQTJNVASSA-N 416.457 1.824 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1349280470 ZSZKVVCIKHEPEA-CVEARBPZSA-N 414.462 1.150 30 10 HDEE COc1cc(OC)nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 1354750349 ROQSDJXDCQIMDV-HMAPJEAMSA-N 419.463 1.559 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1358887124 PWFJQPQSWQUISW-UKRRQHHQSA-N 407.478 1.631 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCNS(C)(=O)=O 1358896261 AHHDKGCBESPLNV-MRXNPFEDSA-N 405.524 1.481 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1358904584 HHKSDIZBFJFWBP-GVDBMIGSSA-N 409.556 1.840 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1358999159 HHUJFVIWSFZZJM-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCOC 1359007721 SVQGIGVZRZWUFE-UHFFFAOYSA-N 409.494 1.632 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1359235952 UJLVUZJEOOBTSV-UHFFFAOYSA-N 404.492 1.939 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CCOC 1359240043 DQYYMDKMOWCWGD-OAHLLOKOSA-N 415.560 1.296 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1C 1359282132 RLCDJHJAKQJQKH-UHFFFAOYSA-N 403.437 1.963 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1359336334 MIXYZIXJFPJFRK-UHFFFAOYSA-N 409.556 1.721 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1361016142 WQYZIQRLRGHGSC-LHSJRXKWSA-N 421.461 1.637 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1443580123 JLCRXFQNKUWACX-JQWIXIFHSA-N 409.288 1.009 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cnn(C(C)C)c1I)C(=O)OC 1448495454 NFGZHFGXPHHBNP-LLVKDONJSA-N 421.235 1.543 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1449511600 VQMRNPMRMWOCQZ-GJZGRUSLSA-N 418.560 1.410 30 10 HDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)CC1=O 1453387136 CRISJLMVJQQZGB-IRXDYDNUSA-N 415.563 1.601 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC(C)C)CC1CCN(C)CC1)c1cc[nH]n1 1455084857 JNIGMUSKMMNSRM-UHFFFAOYSA-N 407.515 1.520 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cc(F)c3O)C[C@H]1CS(=O)(=O)C2 1456611253 FRRNAYHCXDPVCU-RMLUDKJBSA-N 403.229 1.304 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1463162441 BOVSIWGTJZTLJY-BIENJYKASA-N 419.528 1.158 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1463611310 XKYUZYWSLARKBO-YMTOWFKASA-N 421.288 1.947 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 1464176538 GMDPETAKBURDIG-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE CN(CC1(O)CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466897090 CZFMJHSAHIZHES-LFDOHDQPSA-N 407.511 1.773 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1468537848 JKRYDNHLDVDLBX-SFHVURJKSA-N 423.477 1.817 30 10 HDEE C#CC[C@@H](NC(=O)CCOc1cccc(I)c1)C(=O)OC 1468874841 DGSPEPZMOQFZHT-CYBMUJFWSA-N 401.200 1.741 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1469814839 OAYFHKKXGYAZOE-CYBMUJFWSA-N 410.400 1.250 30 10 HDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CCC2(CC1)CC(=O)C=CO2 1472151193 VBHYQQRRFIOXID-UHFFFAOYSA-N 417.487 1.445 30 10 HDEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1472319712 RABRTIMLYBDQTE-IEBWSBKVSA-N 404.532 1.992 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OCC)CC1 1473808284 CXNHEYOIORZZPC-UHFFFAOYSA-N 409.508 1.674 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3sc(Cl)nc3c2)CC1 1475407028 APVUVMVBLQYSQS-UHFFFAOYSA-N 412.924 1.005 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(OC)c(Br)cc2OC)nn1 1475414663 WYSDXHQXHMGUPJ-UHFFFAOYSA-N 417.285 1.722 30 10 HDEE C=CCOc1ccc(CNC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1 1478614708 BPZLMEWHDXQEBT-OAQYLSRUSA-N 403.479 1.411 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1504953927 HQLWTFRFOPQBGO-CQSZACIVSA-N 413.482 1.284 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1507580919 IHDRCWYNBNGCSL-UHFFFAOYSA-N 423.443 1.987 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507581336 QPTBIGCASDVMAC-PXNSSMCTSA-N 409.538 1.675 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1507635662 UMRVWWZQXGPUMB-INIZCTEOSA-N 419.576 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507657721 YRPBRUWTACBUSR-NFBKMPQASA-N 422.533 1.941 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC(=O)NCC(F)F 1507670393 KEIDMMPDYUMJMO-UHFFFAOYSA-N 403.408 1.852 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1nnc2n1CCCCC2 1507713120 YJXURRKETRBOLS-KRWDZBQOSA-N 413.526 1.972 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2ccnn2)CC1 1507721566 QHKSQSPCPYNXQP-UHFFFAOYSA-N 411.901 1.431 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1507791179 ISUWXANWQLIHRS-BBWFWOEESA-N 400.483 1.224 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507928446 FILLOWDTEYCSQD-MRXNPFEDSA-N 424.571 1.388 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cccnn2)CC1 1508078847 KIIHYDOKNZDQRT-UHFFFAOYSA-N 404.478 1.364 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508086430 YWGXKYUDCRDADV-HZPDHXFCSA-N 416.551 1.799 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1508100245 HINHSYDVSHGTDJ-AEFFLSMTSA-N 424.505 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C 1508148526 ITJJOCMJEUGGER-OAHLLOKOSA-N 409.556 1.378 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(CC)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1513035327 GQEJOHYKWSGARU-XSAFGROZSA-N 415.542 1.848 30 10 HDEE C#CC[C@]1(C(=O)Nc2ccn(CC(=O)N(C)C)n2)CCCN1C(=O)OC(C)(C)C 1519967088 XSCWIINJQHFNDA-HXUWFJFHSA-N 403.483 1.703 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)[C@H]1c1nccn1C 1521589828 GSNAIDGCOMGZSV-XIRDDKMYSA-N 401.854 1.743 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CCC2=O)cn1 1530809137 XVLMBMUBXZQDJL-IBGZPJMESA-N 420.517 1.816 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)c1nccs1 1532067946 QTWXUWXQTNWHGS-UHFFFAOYSA-N 405.501 1.752 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1539238808 CJKYCCZIGIRPNL-QGZVFWFLSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)CC 1539311651 VMCDIOBNJPLTCL-UHFFFAOYSA-N 400.504 1.851 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCN(C)C1 1539395228 AOZUAUDWMARPQG-NZQKXSOJSA-N 411.550 1.973 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539819787 IWOYQVVDAMFVAE-OALUTQOASA-N 409.918 1.930 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540036740 TVAKYFPFARJVOU-LJQANCHMSA-N 423.521 1.968 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21)C1CC1 1540094483 GUPYAYJIJWPQAJ-GJZGRUSLSA-N 419.555 1.817 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC(O)CC2)C1 1540888937 BCYMZBWFJZMNMA-LJQANCHMSA-N 415.542 1.307 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nnc(C)s2)C1 1540890730 JEUPYMGOFCHIJN-CABCVRRESA-N 417.539 1.803 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1540916808 HISZDXFYFRADES-HNNXBMFYSA-N 410.569 1.432 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H](O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1544486161 BLHUVWQIOWZERJ-STQMWFEESA-N 409.439 1.279 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C)CC2)CC1 1544620228 FZTCJOXWTORTSN-LJQANCHMSA-N 406.571 1.968 30 10 HDEE CC(C)(C)N1C[C@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 1557577814 ISMQKROEGBFTAV-AWEZNQCLSA-N 406.508 1.255 30 10 HDEE Cc1cc(C#N)c(=O)n(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1 1559425657 IBAGSIGIKGSBKX-UHFFFAOYSA-N 408.867 1.571 30 10 HDEE C#CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C1CSC1 1559986260 NNMWEMCBUAIHSJ-UHFFFAOYSA-N 407.561 1.267 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@]3(C)C(=O)OC(C)(C)C)CC2)o1 1560025280 CSXDKHLIQKFRFH-NRFANRHFSA-N 417.510 1.700 30 10 HDEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1568501331 GWCRWVOZUZXXRS-MSOLQXFVSA-N 410.861 1.989 30 10 HDEE CC(C)(C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1)c1cc(F)cc(C#N)c1 1569602330 CFEQGPSWYHUKNJ-UHFFFAOYSA-N 401.485 1.245 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1587497035 WSHWRYPBMCQXKR-IBGZPJMESA-N 416.478 1.804 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1587783013 IEOIQBDCZVOITC-UHFFFAOYSA-N 408.506 1.939 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1587798394 JDUNURBOHVDPFE-UHFFFAOYSA-N 406.441 1.421 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1587904268 CMXANKZEMMACNX-VLIAUNLRSA-N 417.897 1.471 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1587975087 MSSIHQFNBNWBBC-UHFFFAOYSA-N 402.405 1.543 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1588055039 RSTJKNSFQPCBSO-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1588138290 BWAQEGZEVNKQFK-RYLXDESZSA-N 416.547 1.194 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1588170629 KUHBHCRNDQOHLY-RTBURBONSA-N 423.521 1.481 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCCC1 1588180764 KFFDQBUVNMNLEG-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCN(CC)C2)CC1 1588947930 ZBWMVAQWQOWHPC-SFHVURJKSA-N 400.571 1.784 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1589060720 XHHIZNFTFZYLHK-JKSUJKDBSA-N 413.551 1.713 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1593741785 XJYFFGMPJTWFSK-IAGYGMIVSA-N 419.526 1.595 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595545265 UDHADVWSUJKLAD-KRWDZBQOSA-N 418.542 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC1(C)C 1595799380 ZNPUIJPXVFORHX-CQSZACIVSA-N 416.569 1.160 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1 1597602069 QIZQNDOYBOTOIE-MRXNPFEDSA-N 406.508 1.355 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)nc1 1597692895 YIUGQFYKDSGJSU-UHFFFAOYSA-N 409.446 1.892 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H](C2CCOCC2)C1 1598094532 IEBMRYVQVNVCMP-INIZCTEOSA-N 405.520 1.780 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1602849410 IAEXLGWYRWJRAC-KKSFZXQISA-N 411.510 1.535 30 10 HDEE C#CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1611014389 XQXXWMBPBSGESP-UHFFFAOYSA-N 421.494 1.164 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)co1 1611528870 ZBUOHUCPLPSZCF-CQSZACIVSA-N 402.432 1.016 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1617180396 UPZNZYXSOLBJOY-IBGZPJMESA-N 424.505 1.681 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c(OC)c1 1617795454 ZIFPDEBLTAQWQT-MRXNPFEDSA-N 408.462 1.635 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1618029992 PEOGUHUNINRUKF-UHFFFAOYSA-N 417.575 1.872 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1620652506 QYSVVBVBEDCLRX-HNNXBMFYSA-N 411.474 1.285 30 10 HDEE COC(=O)C1=NOC2(CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1625051773 SFHJBFFJFMTBPP-CQSZACIVSA-N 422.482 1.884 30 10 HDEE COc1cc2nc(C(=O)N(CCC#N)Cc3cccnc3)c(=O)n(C)c2cc1OC 1625794537 LGOJRJDUTUFPMC-UHFFFAOYSA-N 407.430 1.902 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)C1 1627794883 BBUWYOCAXDYHQX-INIZCTEOSA-N 424.486 1.204 30 10 HDEE C#CCN(CC(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1)C(=O)OC(C)(C)C 1630072651 BXVSBQUODSWMCZ-UHFFFAOYSA-N 415.490 1.897 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cc2n(n1)CCCC2 1631548447 VKKWFYHJLVUQDA-AWEZNQCLSA-N 401.492 1.902 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1634640526 GGADMWQZGVQGOI-UHFFFAOYSA-N 411.572 1.096 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1634845805 WQLAPWOLMNIKII-SJLPKXTDSA-N 408.543 1.914 30 10 HDEE Nc1ccccc1S(=O)(=O)NCC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1635321777 NYNBYZLCRKRLLF-UHFFFAOYSA-N 411.405 1.734 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 1635488735 WZXKWXLQRAHIAK-HXUWFJFHSA-N 424.486 1.320 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 1637344733 GRHMFKDMNOELNF-IAGOWNOFSA-N 401.825 1.944 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)cc21 1639693937 TXJIPTJHBZAQGH-SFHVURJKSA-N 423.448 1.903 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CCO)c1ccccc1F 1639883613 KYWLHKXNVMWWBV-QGZVFWFLSA-N 419.478 1.884 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1cc(-c3cccc(C#N)c3)no1)C2 1640374182 FYDHSIQRQKDXHD-MRXNPFEDSA-N 405.418 1.226 30 10 HDEE C#CC[C@H](NC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1)C(=O)OC 1642411054 SLZXBBGZIIUZOC-ZDUSSCGKSA-N 400.387 1.844 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1)C(=O)OCC 1642684144 WWBQXXXTTCAFNW-IUODEOHRSA-N 418.899 1.150 30 10 HDEE COC(=O)[C@H]1Cc2c(Br)cccc2CN1CC(=O)NC1(C#N)CCC1 1643223747 AKHDEXZXAQEIEJ-OAHLLOKOSA-N 406.280 1.911 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1Br 1644072257 GWMWYQSRCALFRB-JTQLQIEISA-N 423.292 1.760 30 10 HDEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O)C1CSC1 1647549575 RSWCNIOKFZHDEB-HXUWFJFHSA-N 400.504 1.012 30 10 HDEE C=CC1(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CN(C(=O)OC(C)(C)C)C1 1648028688 KJMTVSAITGYHGG-UHFFFAOYSA-N 415.450 1.017 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(CC(=O)N(CCC#N)CCC#N)CCO2)cc1 1655161361 CKVMVJDBZODMIN-GOSISDBHSA-N 404.492 1.119 30 10 HDEE CCN(CCC#N)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1656559566 OTRDZLXQMSQSAX-BHQCHZOVSA-N 402.539 1.389 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(N(C)C)ccc2Br)CC1 1657038520 KHVGPIRRAMWBNZ-UHFFFAOYSA-N 400.342 1.891 30 10 HDEE CN(CC(=O)N1CCCC1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1664708817 FWHJLIZHZRDEKD-UHFFFAOYSA-N 404.261 1.703 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1673839432 VXSRZHYHBWZLHA-YOEHRIQHSA-N 404.492 1.109 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(Br)cnc2OC)CC1 1674492606 NGOSKWVEGXLOOR-UHFFFAOYSA-N 409.284 1.524 30 10 HDEE C#C[C@@H](NC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@@H]1CCCO1 1681816450 QFAZGYLIKXIGQX-SJORKVTESA-N 407.511 1.979 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@@H](C)O1 1682315937 AOYHSHUSKCPPIO-LUKYLMHMSA-N 401.515 1.066 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1683190024 KSTNKILZCUPMGT-SJORKVTESA-N 411.524 1.270 30 10 HDEE C#CCN(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)C1CCCCC1 1684589378 JVZMFNDECRPKOU-NGEICVOHSA-N 410.536 1.863 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1686939794 QVQAQHHKFNGUSP-TUVASFSCSA-N 410.471 1.717 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)CC 1689835169 HMQDDXKPRRPLHO-IYJVBRSBSA-N 408.549 1.575 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN2CCOCC2(C)C)c1 1689869062 ZRDNMLMUUNZTTE-UHFFFAOYSA-N 410.522 1.754 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nncn1C 1690039631 MYQKMAWECNLMRH-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCCCS(C)(=O)=O 1690043002 LGYIFZSOJWAQIR-UHFFFAOYSA-N 400.508 1.413 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCCC2)CC1 1690129295 UJHRVVBZOLSPHZ-UHFFFAOYSA-N 407.522 1.065 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCOC2)CC1 1690130813 NBHNVROZLGVNHX-HSZRJFAPSA-N 409.534 1.360 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690465325 XTAODGOXVGPDJB-SQGPQFPESA-N 424.567 1.921 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1690508248 DPZWKIWGTBENOI-CVEARBPZSA-N 412.556 1.634 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(-c2cnn(C)c2)n1Cc1nnn(C)n1 1690569025 BWHOYYCAOGWFEP-UHFFFAOYSA-N 408.445 1.582 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@H](CCC)C1 1690722883 ZAVHBHCGKGWVQX-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)(C)C 1690992965 CHOZZCAKNQSGEO-CQSZACIVSA-N 412.498 1.684 30 10 HDEE CC(C)C(=O)NCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1691490347 IZXKVAXVPJSFQP-KRWDZBQOSA-N 401.559 1.914 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705517155 POEDRLUFPNHWAM-CVEARBPZSA-N 408.524 1.373 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(C)(=O)=O)cc1 1705554144 MDALQSJVSYEAOU-UHFFFAOYSA-N 409.515 1.980 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccccn2)CC1 1705648843 AQUREJDRJNJZNR-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705658295 KZPZZDTZLNNZFB-UHFFFAOYSA-N 415.567 1.929 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1705875916 JUAGLVVPIDOMRH-MRXNPFEDSA-N 410.540 1.290 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(CC)C(=O)C1 1705902162 IHGICHKEKWYUNQ-UHFFFAOYSA-N 416.913 1.959 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705908893 XNCHBIWQUHRGGR-OXJNMPFZSA-N 407.515 1.094 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1705925013 JLVADMKJNVCIIT-CVEARBPZSA-N 413.544 1.240 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1711507525 JNSPYDRNAONTLS-CQSZACIVSA-N 423.477 1.372 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)C1 1712875164 MBJOEVTTYGLROZ-QGZVFWFLSA-N 423.355 1.677 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCc2nccs2)c1 1712878528 GNHOUWDFEGXYHP-UHFFFAOYSA-N 414.516 1.751 30 10 HDEE C#CCC1(C(=O)N2C[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C(C)(C)C2)CCOCC1 1718313651 OXIPZICMBSJRKG-SGYMCOKNSA-N 400.519 1.583 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722324654 VRVKLNPMZPADOC-JYJNAYRXSA-N 411.572 1.942 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCCO 1722350412 ZDTCWOSGWOLMJE-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1722375247 AJEDLXIKJGWAJE-UHFFFAOYSA-N 424.324 1.543 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1722408211 YQRQJBZGXYZOCT-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@H]2C)CC1 1722429486 MQMLCHHNRJDTTN-GOSISDBHSA-N 415.586 1.436 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722459526 LXDYUKJZFCJOOC-LSDHHAIUSA-N 404.496 1.418 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)c2ccco2)CC1 1722536445 OCGTZXUJZWUWGC-UHFFFAOYSA-N 403.483 1.963 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722870213 QQISAUFSTIQJJC-ZBFHGGJFSA-N 422.580 1.808 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1740562941 PINHLWILQZAKJV-MUGJNUQGSA-N 419.570 1.961 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1740578674 DCRMNDNPLIUJGN-UHFFFAOYSA-N 412.469 1.822 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1740581339 VORHBRFJJRRNQK-HNNXBMFYSA-N 419.555 1.419 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740717360 QGUSJSGCGLWORI-IXDOHACOSA-N 424.592 1.694 30 10 HDEE C=C(C)Cn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@]1(OCC)CCOC1 1740785240 QDXORZVJNZAMRV-SFHVURJKSA-N 411.457 1.999 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740881047 VRFYWDSOYWNNRM-ROUUACIJSA-N 403.527 1.970 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccn(CC)c2=O)CCOC1 1746645881 AUSJKAKVVLLOFI-IIBYNOLFSA-N 414.510 1.898 30 10 HDEE CO[C@H](C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1748393569 CEOGPTDBRUVLGG-BLIXFSHQSA-N 418.542 1.530 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccccc1S(=O)(=O)N(C)C 1748859907 PZCJXOCUXVMZDF-UHFFFAOYSA-N 415.519 1.186 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCc2ccco2)CC1 1748993552 BTTDVMBLLJWZCV-UHFFFAOYSA-N 410.522 1.675 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C(=O)NC 1749135886 JGYCQRXOVIUIKB-FCEWJHQRSA-N 418.542 1.200 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749275491 CXVSQIYHUMDNKX-QGZVFWFLSA-N 413.931 1.168 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCN(C(C)=O)CC2)CC1 1749292878 XQGNGOCEKIQKMP-SFHVURJKSA-N 420.558 1.323 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1749547877 YWAXCEBNNMEIRS-MRXNPFEDSA-N 421.498 1.606 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ncc(Cl)n1C 1749664538 RATKDWFOTGADFT-UHFFFAOYSA-N 402.890 1.609 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749707077 ACWOXLJXKPXANF-GVDBMIGSSA-N 410.540 1.736 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1750632625 FTUOCKMELTZGNO-UHFFFAOYSA-N 404.496 1.371 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1751007106 OTEGLONHBKEYTB-WOUAJJJCSA-N 407.515 1.597 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1760112934 NXOFEMIZKBPJMH-HOTGVXAUSA-N 418.542 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br 1760218175 ZLWUMULUPXIKDK-NSHDSACASA-N 400.227 1.680 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCOC2)CC1 1760252981 ZYTOVWQHQRJBRN-QGZVFWFLSA-N 402.543 1.378 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1760322099 NZPNHKTVSKTEPO-BZSNNMDCSA-N 424.567 1.370 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC2(CCOCC2)C1 1760449647 PYSOMNWOIAYWLE-INIZCTEOSA-N 421.567 1.924 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCSC2(CCOCC2)C1 1760449648 PYSOMNWOIAYWLE-MRXNPFEDSA-N 421.567 1.924 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(OC(C)C)CC1 1760527171 ZVAJDPNYYTZZHJ-UHFFFAOYSA-N 415.542 1.836 30 10 HDEE CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762370383 RXRAJZFCCYBCHW-ZWKOTPCHSA-N 411.510 1.800 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1csc(C)n1 1764187026 BGYFJBSAHQNLHL-MRXNPFEDSA-N 417.539 1.933 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCc2nccn2C1 1770049824 GKDKIBURNNGDQL-IXDOHACOSA-N 415.498 1.190 30 10 HDEE CC(=O)N1CCC2(CC1)NS(=O)(=O)c1ccccc1N2C(=O)c1cccc(C#N)c1 1848519920 PZVOOPMHCYQGNB-UHFFFAOYSA-N 424.482 1.836 30 10 HDEE O=C(NCC#Cc1cccnc1)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1850229564 ZSMDELCPNRXAFI-UHFFFAOYSA-N 401.463 1.789 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CCCCN3C(=O)c3cccnc3)CO2)nc1 1851793121 CYEOUYYNCMOAOR-QZTJIDSGSA-N 407.430 1.707 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(-c3cccnc3)on2)CC1 1852072203 QWBNOOBNQCOZFL-UHFFFAOYSA-N 404.430 1.982 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CN3C(=O)COc4ccccc43)CC2)nc1 1852094808 SDUDHQJRTSIDFR-UHFFFAOYSA-N 421.457 1.044 30 10 HDEE CC(C)[C@@H](C(=O)N1CCN(c2nccc(C#N)n2)CC1)N1Cc2ccccc2C1=O 1852127698 RLDUHZSPWKGEKN-IBGZPJMESA-N 404.474 1.677 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(CC(F)(F)F)C2=O)C2(CCCCC2)C1=O 1853945847 FIUBFKSIPACIAS-ZDUSSCGKSA-N 400.401 1.437 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCC2 1854187455 ISRIKIXUZTXLQN-LJQANCHMSA-N 408.502 1.705 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 1855227354 GUENNRWEVCNNSO-SJORKVTESA-N 416.547 1.713 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1855507166 HVSUZFPCOUTJID-INIZCTEOSA-N 409.483 1.226 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(c4nccn4C)CC3)C2=O)CC1=O 1855779156 TZLYQLPOHCGKCK-ZWKOTPCHSA-N 413.522 1.152 30 10 HDEE Cc1ncccc1C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855910223 AUNVALDPXOOKEJ-KRWDZBQOSA-N 404.474 1.468 30 10 HDEE C[C@@H](C(=O)N1C[C@H](C2CCN(CCC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1856150218 JAZFMKWNLFVGKZ-MAUKXSAKSA-N 411.506 1.682 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(C3C(=O)CCCC3=O)c3ccccc32)CC1=O 1856590294 RJZSURSTQBCMGA-CQSZACIVSA-N 409.442 1.091 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H]3Cc4ccccc43)C(=O)O2)CC1 1856635890 VYTSZNKYOGFSFB-DLBZAZTESA-N 403.460 1.239 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C(=O)C1(C)C 1856767404 HRADEIDDDCHKLD-GJZGRUSLSA-N 410.478 1.494 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(CCCC(C)=O)CC3)CC2=O)CC1=O 1857053305 LXOYMSPOGOZAFD-MOPGFXCFSA-N 403.523 1.477 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2sc(C)nc2C)C1)[C@H]1CCN(C)C1=O 1857104634 LYGDGAIVLHMECE-HOTGVXAUSA-N 404.536 1.857 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C2=O)C1 1857108539 WIWRACSYDBVCJR-BBRMVZONSA-N 404.417 1.969 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)[C@@H](C)C1=O 1857111285 ZDTGPPUIBSTNOA-AWEZNQCLSA-N 419.503 1.310 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1860735405 QXNLJHCQSMNLLB-RMKNXTFCSA-N 403.416 1.183 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)Cc3ccc(F)cc3)cc2C1=O 1870139303 JLZKZNRPYWBIPW-UHFFFAOYSA-N 404.361 1.685 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1-c1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1870142390 BIGSHZRSWWTUQZ-LLVKDONJSA-N 404.361 1.901 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN(CCO)CCCC)cc1=O 1870558826 NCFVJNFRHNFVHJ-UHFFFAOYSA-N 403.523 1.467 30 10 HDEE CN(CC1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)CC1)c1ncccc1C#N 1890156077 NYWBOMBXVSKWIG-QGZVFWFLSA-N 424.530 1.922 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1890870070 ULDAWMGYMPATRL-MAUKXSAKSA-N 414.487 1.788 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)cs1 1890894315 XLQRVJYUCCZDEA-UHFFFAOYSA-N 421.500 1.366 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)N2CC[C@H](O)C2)OC1(C)C 1914069010 PONYAKPIYSLCRD-LBPRGKRZSA-N 402.709 1.363 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010394952 GDGZXVXBZLBFPP-TZMCWYRMSA-N 418.303 1.970 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12 2053541010 XYPJAWWDSQFSQA-WTGUMLROSA-N 420.458 1.525 30 10 HDEE C=C1CC(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2077092746 RFCGCDRPNWELKD-UHFFFAOYSA-N 406.460 1.546 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(N)cc1C#N)C(F)(F)F 2162584971 RDROGXWKWJNVEP-GFCCVEGCSA-N 408.402 1.874 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174783245 ADOZUSORDIGRLE-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2185447327 VLDQSNAYJCZITB-CABCVRRESA-N 400.541 1.965 30 10 HDEE C[C@H](NC(=O)N[C@@H](C)S(C)(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2203125070 CVWLURXLTPIHIH-VHSXEESVSA-N 403.335 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2243385384 HRTYVVXIAXIBIW-UHFFFAOYSA-N 410.320 1.957 30 10 HDEE C[C@H](CCOCc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247824807 VPPZCZMEOWLVSG-OAHLLOKOSA-N 414.315 1.840 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838374 HCJUUCKGIQZVJT-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248064536 WRGUXKQDSSLUKG-CHWSQXEVSA-N 418.303 1.419 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258180232 YDJDDOOVUCBDNW-SJORKVTESA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3CN)cc2Cl)OC1(C)C 2267705870 NPOOXDSBWBYPHN-JTQLQIEISA-N 406.766 1.813 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2270526141 JFTNWENVBSDMSX-QGZVFWFLSA-N 417.443 1.768 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281796752 XXXYHJIDYQXWFX-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3NC[C@@H]4C[C@@H]43)cc2Cl)OC1(C)C 2282320398 HZLVHJYLRVVOQR-NHCYSSNCSA-N 418.777 1.587 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@]1(C)CN 2282334459 BMRWPIWKGCQYKO-SJCJKPOMSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCC[C@H](O)C3)s2)OC1(C)C 2282341575 UQGOUUCFRFRTCR-STQMWFEESA-N 401.359 1.877 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282352536 PJJIGEAPMZCHTN-STQMWFEESA-N 401.359 1.950 30 10 HDEE CC1(CN)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282498343 CAZTXCXCWHRSHL-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(N)CCC2)c1B1OC(C)(C)C(C)(C)O1 2282503305 YCTHHJPJHTWAQJ-UHFFFAOYSA-N 400.375 1.824 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282654785 LYIPRCHPBDBLGE-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC(C)(O)C(C)(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834455 UVHIVFXDDDEMLO-UHFFFAOYSA-N 404.363 1.411 30 10 HDEE CCN[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282848373 MUBRTLNYZISHHA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)[C@H](O)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849198 XRQZSMWBCDKASO-WCQYABFASA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(C)CCCCN2)OC1(C)C 2282851044 WRQJLECQQBJKBD-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)[C@@H]3CCNC3)s2)OC1(C)C 2282851449 BWVVZSBMBZZGSH-NDHGSNPTSA-N 420.387 1.196 30 10 HDEE CC(C)(N)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282861275 MBPMKSFBAKUVIB-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3CCCC4(C3)OCCO4)c2)OC1(C)C 2282864582 ICXVSUBHERLDFI-INIZCTEOSA-N 423.340 1.950 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C(=O)O 2284399762 ODXCQGVKAZWVMH-JTQLQIEISA-N 403.331 1.825 30 10 HDEE CC(C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284406697 BJHWIAMRVBLQEV-UHFFFAOYSA-N 403.693 1.781 30 10 HDEE CC1([C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(=O)O)CC1 2284409898 OTHGZUZBSJLVMC-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CC[C@@H]3N)ccc2Cl)OC1(C)C 2287581037 VWHXTJTYDGMFRQ-NHYWBVRUSA-N 400.737 1.655 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244836 ATFQOAWJGFGXNK-ZYHUDNBSSA-N 402.347 1.226 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCCC#CBr)(C(=O)O)C[C@]12CCOC2 2324749618 JYINHMSLTSRYPB-DLBZAZTESA-N 417.300 1.945 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc(N(C)C)cc2)cc1 2325511264 OOLNYJARAXQGAU-UHFFFAOYSA-N 415.471 1.798 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2342067795 XYJNYSFQYYVMTG-GOSISDBHSA-N 420.531 1.319 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H]2C[C@@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2358896668 VBNWWVURQICJSE-YJNKXOJESA-N 401.529 1.319 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808528 DBDQMSDEZDQEEZ-MPGHIAIKSA-N 402.557 1.599 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2367825883 TTXONAAGIKOWBQ-IFXJQAMLSA-N 400.541 1.163 30 10 HDEE CN(CCC#N)C(=O)COC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3296476 RHHOLTGPOVXMDC-LJQANCHMSA-N 419.437 1.809 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC)cc2)cc1 31170373 ZVZDOMJLQYJGBR-UHFFFAOYSA-N 423.516 1.701 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(-n3c(C)ccc3C)n2)CC1 49618299 IJIQXYSHOIJYGY-UHFFFAOYSA-N 401.536 1.540 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C[C@@H](C)O[C@H](C)C3)cc2)CC1 106032379 YBVJGZPTJWEJQJ-RTBURBONSA-N 414.550 1.356 30 10 HDEE COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C#N)c(B2OC(C)(C)C(C)(C)O2)c1 199595289 SXSUKEMXDPQJIV-UHFFFAOYSA-N 413.088 1.943 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 219950933 UGEDVSRWBYHBSE-AWEZNQCLSA-N 405.414 1.404 30 10 HDEE COc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 219964069 PFDNIPLXZDEKKC-KRWDZBQOSA-N 422.445 1.279 30 10 HDEE C#CCN(CC(=O)N[C@H](c1ccccc1)c1nccs1)[C@H]1CCS(=O)(=O)C1 250680728 YDYHSYNLXIVHJD-FUHWJXTLSA-N 403.529 1.471 30 10 HDEE C[C@H](C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)n1cnc(C#N)n1 409673171 MNPBKWVNKOPWIE-OAHLLOKOSA-N 401.902 1.693 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)cc2)c1N 428005432 KTOFSFMIEMFRHB-CBQFGZCFSA-N 401.470 1.565 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nccn2CCCc2ccccc2)CC1 435510049 FJLWRKZSVZRCLY-UHFFFAOYSA-N 424.549 1.645 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCc3cccnc32)CC1 435618751 UIZIMERWWOSMIO-SFHVURJKSA-N 410.499 1.906 30 10 HDEE COC(=O)c1scc(C)c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 442913776 PXAWKDJFLOBALY-UHFFFAOYSA-N 406.489 1.621 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN(c3nccn(C)c3=O)CC2)c1 467159978 RJSUUHPPOOOUJD-LJQANCHMSA-N 422.533 1.855 30 10 HDEE C=CCn1c(O)nnc1SCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 470834560 CIPPXTZSINKHEQ-UHFFFAOYSA-N 417.539 1.832 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nnc(-c3ccccc3)s2)CC1 471075873 KKUHCVWNDFUDCA-UHFFFAOYSA-N 400.508 1.335 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1C[C@@H]1CCCO1 471189441 XZOKVIOPRGGOCS-INIZCTEOSA-N 413.499 1.049 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCC1 477499712 CKQRJRKKSDBSNF-IBGZPJMESA-N 417.579 1.939 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)CN(C)C 480594196 UXZFXWUHPLPUBD-APWZRJJASA-N 414.531 1.514 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CC(N2CCCCC2)C1 485028248 CLWNLSTVHWVICH-UHFFFAOYSA-N 400.479 1.655 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 507532289 NHFDIZKAMQDKHX-GOSISDBHSA-N 407.492 1.674 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](CC)C1 508472274 JDTXQRWZFUVCNB-GOSISDBHSA-N 423.525 1.654 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 510139945 NTKAGNYPTMDZMI-NRFANRHFSA-N 406.534 1.869 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 515101356 OWZDJDYWZOPMDK-HNNXBMFYSA-N 417.556 1.426 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 521497399 IXEWJYMBWFJBRY-OAHLLOKOSA-N 407.474 1.739 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(Br)cn2)CC1 533223801 CWMXEUDVGNVIJM-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE COc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)ccc1S(=O)(=O)N1CCCC1 543997182 SFHQPNPHNBKDPJ-GFCCVEGCSA-N 404.452 1.143 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)on2)c1 549518825 UDDYRAYLHJRQFC-UHFFFAOYSA-N 400.460 1.853 30 10 HDEE O=C1NCCN(CC#CCN2CCNC(=O)[C@@H]2c2cccs2)[C@@H]1c1cccs1 551393903 UGDBKQRRTXARIP-HDICACEKSA-N 414.556 1.459 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCCO1 555369452 MYDGFXPUGDMGFT-KRWDZBQOSA-N 424.509 1.189 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2ccc(-c3csc(C)n3)cc2)C1=O 557211589 WMZJHNSUBPAPJU-GOSISDBHSA-N 412.515 1.980 30 10 HDEE N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@H](CNC(=O)CC(F)(F)F)C3)C2=O)cc1 560414931 JEFYTUBFVZGWER-ZBFHGGJFSA-N 422.407 1.971 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 560427397 XGOVGIMJEAPJRE-UHFFFAOYSA-N 416.572 1.577 30 10 HDEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 571959288 AWVPGLQXZBTNPY-QGZVFWFLSA-N 402.520 1.051 30 10 HDEE CN(C)C[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 572804387 AFCUSQRQCNQLKF-SFHVURJKSA-N 400.504 1.126 30 10 HDEE COc1cc(Br)ccc1CNC(=O)C(=O)NC1CCN(CC#N)CC1 586851089 LWYZMBUDEXNXBZ-UHFFFAOYSA-N 409.284 1.178 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CS(=O)(=O)CCCc2ccccc2)CC1 603639011 NCVBEGCZHNINEL-UHFFFAOYSA-N 412.515 1.649 30 10 HDEE Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609043120 ACHHNKSMRGCPTF-CQSZACIVSA-N 416.507 1.377 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C#N)cc2F)c1 609231182 NMOYWGBFPOBNDE-UHFFFAOYSA-N 405.451 1.861 30 10 HDEE CC1(C#N)CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 611668575 PNEKNYRQOVILFF-ZBFHGGJFSA-N 411.911 1.616 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCO3)CC1 619510022 CKLQBGFYBBXLFB-UHFFFAOYSA-N 410.390 1.351 30 10 HDEE CCCc1c(NC(=O)C(=O)N[C@H]2CCN(CC)C2=O)cnn1-c1cccc(C#N)c1 619843691 PFJLVHAJBWGQDT-INIZCTEOSA-N 408.462 1.372 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 679506590 WNSYVWLJFOMMIZ-UHFFFAOYSA-N 418.519 1.762 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 680439846 PLYFBDLZAAINJH-ZDUSSCGKSA-N 403.888 1.419 30 10 HDEE CN[C@@H](C#N)[C@@H](C)n1cnc(I)c1I 699335034 OCJKJQJEZLHDMR-RITPCOANSA-N 416.004 1.765 30 10 HDEE CC(C)C(=O)N1CCC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 727002456 QDZSHMSDAITTJM-QGZVFWFLSA-N 409.446 1.873 30 10 HDEE COc1cc(C)c([C@@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732449317 GZKJRHTVGPEGGW-LTFJSZEESA-N 402.451 1.899 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCN1C1CC1 732650872 KFUORJMOVLXLTP-SWLSCSKDSA-N 401.398 1.286 30 10 HDEE CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c(C)c2)CC1 732706433 JSDGLKJLJWXZGT-FQEVSTJZSA-N 424.549 1.274 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CSc2cccc[n+]2[O-])cc1 749621718 XOCUHDJKMBGGOY-HNNXBMFYSA-N 400.485 1.824 30 10 HDEE Cn1cc(/C=C\C(=O)OCc2cc(C#N)ccc2Br)c(=O)n(C)c1=O 755531082 OIPQDAIVFBFMTH-XQRVVYSFSA-N 404.220 1.475 30 10 HDEE C=CCNC(=O)COC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 756749208 KQQPBLKMLZQAFP-NSHDSACASA-N 404.282 1.704 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C2CCCCC2)C1 756841068 QLUMGHNKRFFYPD-QGZVFWFLSA-N 405.520 1.923 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@@H](C)C1 760750663 SSQOIJJFYIFHCN-IKRFMFEDSA-N 421.523 1.584 30 10 HDEE C#CCOCCOC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 762723181 LTMQGOCVHIMBAB-HNNXBMFYSA-N 416.293 1.795 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)c1 770094591 ZRBBFYBSBMSZBH-UHFFFAOYSA-N 406.221 1.482 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 772854207 DODWTTDJFLDFHS-NERIXLHVSA-N 406.483 1.759 30 10 HDEE Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 773364856 RGUWFCZRZMCHDD-BKBKCADHSA-N 424.501 1.941 30 10 HDEE C#CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 774037384 XIDWVXXOZVIXMU-BBWFWOEESA-N 405.520 1.954 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NC(=O)NC2CCCCC2)CC1 774526657 RAFGGGRCQRADKP-UHFFFAOYSA-N 405.524 1.806 30 10 HDEE Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 779367837 GUWVYHQXVSIGTH-KPKJPENVSA-N 424.486 1.080 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCN1CCO 779408164 CARYWJJBZFSEPL-BAOKRACBSA-N 423.539 1.030 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)C1 782995617 LWQOKHHSIRNUMF-ARFHVFGLSA-N 411.466 1.952 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 783303532 OTGMVBUEUSCFRL-MRXNPFEDSA-N 415.537 1.203 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc(NC(=O)OC(C)(C)C)cn2)n1 788812879 FNOPXLDKPBEZNU-UHFFFAOYSA-N 414.466 1.942 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C=NNC(=S)NCCN1CCOCC1 792891907 XVYTYPKHGFEBAG-ZDUSSCGKSA-N 421.514 1.413 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 794984515 SCRMFDINENBTOY-WIYYLYMNSA-N 421.501 1.844 30 10 HDEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(Br)cc2)ccn1 795393693 OVHSGYBHSPHCLK-UHFFFAOYSA-N 410.249 1.737 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc([N+](=O)[O-])ncc2Br)CC1 798154436 IGHMNSMPBHNFFK-UHFFFAOYSA-N 417.223 1.981 30 10 HDEE N#Cc1ccc(-c2cccc(CNC(=O)C(=O)N3CCN(C4CC4)C(=O)C3)c2)s1 807247607 CJDQYARQEISQOQ-UHFFFAOYSA-N 408.483 1.736 30 10 HDEE C[C@@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(NS(C)(=O)=O)c1 808745718 CSFWRMLVJIZDRB-CYBMUJFWSA-N 408.505 1.449 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)CC1(C#N)CC1 815414071 PJYKVILMNGPUNA-GFCCVEGCSA-N 409.464 1.510 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cc1Cl 856532754 DGMIKCJHPBAJMS-LSDHHAIUSA-N 404.879 1.751 30 10 HDEE CCCCN(C(=O)COC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914595280 XOQPZSXCWNEGKH-DOTOQJQBSA-N 422.503 1.685 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)c1 1134495531 KMBVVWFZIUIKKR-OAQYLSRUSA-N 401.463 1.697 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)nc2n1CCOC2 1134818361 XDZFEBOTKWEFND-ZDUSSCGKSA-N 417.219 1.768 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCO)C(C)(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1138273679 YCYJTTQREOHTST-UHFFFAOYSA-N 402.344 1.823 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811470 MXVFZHGHACBQKK-MRXNPFEDSA-N 423.473 1.778 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1143499743 NFGREHOVMKRXLL-ROUUACIJSA-N 406.504 1.038 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2=O)cc1Cl 1148193504 BZKTZUGJQAPKKT-YJBOKZPZSA-N 416.909 1.934 30 10 HDEE Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1150157183 DDXCYOQBPORCBP-HNNXBMFYSA-N 420.462 1.910 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1154224210 SRCATADHCBWUFY-VHRNVKJDSA-N 412.533 1.237 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1 1154958678 INQDAXHMNXPZFR-KBPBESRZSA-N 408.480 1.253 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)n1 1155603697 HBSIPKRPCMCWDH-UHFFFAOYSA-N 420.477 1.303 30 10 HDEE COC(=O)c1ccc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(C#N)n1 1184892575 FURBNUNTTJYUGX-UHFFFAOYSA-N 411.443 1.011 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1 1186094618 DHHFOGZNDGNNSE-UHFFFAOYSA-N 414.436 1.820 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1253779327 OIPCXNWAEVDKND-HNNXBMFYSA-N 415.462 1.409 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1254546279 QKRDOYZSJKRXJU-JZXOWHBKSA-N 408.520 1.902 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1276310080 COBFGGDNRMOFEX-YENHRIDLSA-N 401.551 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCOC1 1286418516 KOYJEICMXKUQRF-SFHVURJKSA-N 418.295 1.650 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ncn(-c3ccccc3)n2)CC1 1286478635 HSIVFWWDXRVCJK-UHFFFAOYSA-N 404.522 1.861 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286715275 FXIYQIFRKLQCNS-AWEZNQCLSA-N 412.560 1.100 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(=O)N(CCOC)C1 1286722610 NEFTVDYLJRJSOZ-AWEZNQCLSA-N 416.482 1.123 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286786810 IWVVRWDDHLBYMG-HNNXBMFYSA-N 406.450 1.090 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CC2)C1 1286803526 DBMKVEAXHDSZKP-OAHLLOKOSA-N 406.512 1.037 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1 1286827730 YFTBIIKODILEFQ-UHFFFAOYSA-N 422.532 1.828 30 10 HDEE C[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1289053377 VOGXCHIADZCDDD-VQIMIIECSA-N 414.422 1.388 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(C#N)c(OC)c2)CC1 1292669867 CVEYXPXEJQTJOG-UHFFFAOYSA-N 414.487 1.437 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OCC)CCOC1 1296250608 BWSFACPYAQQFCS-FOIQADDNSA-N 406.531 1.688 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1296567951 CQQFOXJEIARGJO-MAODMQOUSA-N 419.526 1.600 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1299659346 BGKMEGFKNZROPT-UHFFFAOYSA-N 415.475 1.522 30 10 HDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CCOC1 1299799678 BMSFFFIBIAWAPW-KNQAVFIVSA-N 424.505 1.727 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cnn(-c2ccc(F)cc2)c1C)c1cc[nH]n1 1300254323 WNXNXGFOPUBUDA-UHFFFAOYSA-N 414.397 1.965 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1300298460 DDEAXNMGTRINJJ-OAHLLOKOSA-N 421.505 1.782 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1300619379 WVDBGQSHOQMVFH-UHFFFAOYSA-N 416.489 1.916 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCS(C)(=O)=O)CC1 1300701147 IKFLYSJWBHCGHO-UHFFFAOYSA-N 419.526 1.198 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1301281610 RXKMSZJCHXFPEG-UHFFFAOYSA-N 404.482 1.942 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C)C1 1301593155 JWHQPFCSZCZFBJ-QGZVFWFLSA-N 420.535 1.991 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301609650 MPIMXAHSOJBKMZ-HRCADAONSA-N 407.540 1.533 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1302170067 ZEOTUVXBZQKUIP-IBGZPJMESA-N 424.505 1.585 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1302171859 HZJODDRYPRZFBR-KRWDZBQOSA-N 408.506 1.930 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCS(=O)(=O)CC2)C1 1302392942 CEUPNDQLXBIWON-SFHVURJKSA-N 415.519 1.867 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1303629988 ROWUEJSJHZLHPR-CYBMUJFWSA-N 417.424 1.941 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1OCCC1(C)C 1303835605 CGRUXLNXTDRLQC-GDZNZVCISA-N 414.507 1.145 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 1303920887 VVRIFYXCWSXXLJ-UWENYHRYSA-N 420.267 1.819 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1303946838 HRIITUUEOIEQJR-AVRDEDQJSA-N 424.505 1.714 30 10 HDEE CC1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1303973807 UTVPDVRKOVGPMY-ZPHPHTNESA-N 423.477 1.482 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1304002199 NIJPSVKHTYVSRF-YRNRMSPPSA-N 419.503 1.649 30 10 HDEE CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305591191 VRWNTXSRFKHVCB-FZMZJTMJSA-N 405.455 1.143 30 10 HDEE CC[C@]1(C)CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1305882354 MXVNKPYYEKSDQC-BONDDZEJSA-N 402.499 1.933 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N(O)Cc2cccc3ccccc23)n(C)c1=O 1306899805 CJGMYYMXMBJNBH-UHFFFAOYSA-N 407.430 1.395 30 10 HDEE CS(=O)(=O)c1ccc(-n2nnnc2CN2CCc3c(CC#N)cccc3C2)cc1 1307976395 SZFMXLNWYLMCIT-UHFFFAOYSA-N 408.487 1.690 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2c(C)nn3cc(Br)cnc23)CC1 1309160438 PVXXGQNUJPCLMJ-UHFFFAOYSA-N 414.329 1.729 30 10 HDEE COC(=O)c1cnc([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 1312897249 SWYMYLYDKSHQFS-LBPRGKRZSA-N 400.464 1.789 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1315550117 SHTAYMJCUDEUIW-CJNGLKHVSA-N 411.466 1.538 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC2CC2)CCO1 1316540688 YUESUYUNXYSDJC-CQSZACIVSA-N 401.858 1.248 30 10 HDEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1320458487 AVCFHYMBIJOUCR-VXPUYCOJSA-N 412.446 1.322 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1358872100 OPAICDUKJVKVII-CABCVRRESA-N 409.556 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC2(C1)OCCO2 1358968327 HOBCFEBOABSBNA-KRWDZBQOSA-N 413.522 1.813 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2csc(C)n2)CC1 1359304782 JGJIOXRLCCQFGC-UHFFFAOYSA-N 419.555 1.204 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1359330455 RZUQYEPKAWHBGD-JKSUJKDBSA-N 423.539 1.125 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1359474933 YYSXWEUSCPNKCC-ZACQAIPSSA-N 422.555 1.563 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1360298004 JAZYWUNJFKTAEV-QGZVFWFLSA-N 424.509 1.247 30 10 HDEE COc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)ccc1C#N 1435086294 DQXQGOJWZMMQDA-UHFFFAOYSA-N 415.475 1.296 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(NS(=O)(=O)NC)cc1 1448593083 PURBJBJPXSRVOF-OAHLLOKOSA-N 410.496 1.808 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 1452428076 AZJROSBBCALPRI-JCGIZDLHSA-N 421.519 1.051 30 10 HDEE CCC1(Cn2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)nn2)COC1 1452690200 CZALHOWZSZJXNK-UHFFFAOYSA-N 408.506 1.971 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)c2C1 1453580886 DWVLWVCLNFLZER-SFHVURJKSA-N 421.501 1.889 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1OC 1453884716 PJXFIERTWYPWJQ-SOLBZPMBSA-N 420.531 1.938 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 1454066996 WVOWTLSXLIHOSI-GOSISDBHSA-N 419.547 1.314 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)c1cc[nH]n1 1455014218 SUUDNJOFVOZKRO-KRWDZBQOSA-N 413.478 1.393 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cnc21 1455092313 KGQDMCXHKAKCNB-ZDUSSCGKSA-N 403.320 1.939 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3CCCS3(=O)=O)CC2=O)cc1Cl 1462012088 HVWPKUHIASRYFA-CQSZACIVSA-N 424.910 1.106 30 10 HDEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CC(=O)NC1=O 1464567412 CPFDFQNSQZRRME-CQSZACIVSA-N 405.252 1.021 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ncc(Br)cc1O 1466063560 BSLYELJTJIKIPK-JTQLQIEISA-N 403.240 1.562 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C)CC2)s1 1467392044 SZENQRXMMKTLMC-UHFFFAOYSA-N 421.548 1.202 30 10 HDEE CC1=NS(=O)(=O)N(C)C=C1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1469673984 FODKGQWPAZMRFL-UHFFFAOYSA-N 401.492 1.174 30 10 HDEE COCC1(CNc2[nH]c(=O)n(C)c(=O)c2C#N)CCN(C(=O)OC(C)(C)C)CC1 1472781029 FCHUWYUWOXXXCX-UHFFFAOYSA-N 407.471 1.021 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccccc2CC#N)c1 1475375402 HNNLSHNLLVOHNS-UHFFFAOYSA-N 407.517 1.918 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1478577816 NVWRCOVHYDDMKM-VHSXEESVSA-N 423.329 1.956 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1478685487 HAEZMOHWHDOJOO-FUHWJXTLSA-N 403.479 1.726 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CC1 1503821981 DRRQOTRZBAGUAX-UHFFFAOYSA-N 408.510 1.374 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507521498 NRMFFGHVUNAGEC-KRWDZBQOSA-N 410.522 1.576 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1507580521 AGLBOGVVPUFNRI-UHFFFAOYSA-N 405.510 1.825 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1507589834 PPPBSBWXMFPVPT-UHFFFAOYSA-N 421.505 1.225 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507623105 OTIFGLQVPHNDKO-HNNXBMFYSA-N 424.958 1.752 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1507632648 ORQVXBHXMKZNPN-ROUUACIJSA-N 423.583 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCC[C@@H](C)C1 1507713179 AECBLDDOIYYOFB-GOSISDBHSA-N 402.543 1.218 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1COCCO1 1507714858 YMVQDHDNPJQDOR-HXUWFJFHSA-N 414.506 1.975 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507750283 PHBBOLUWHMHCHZ-HNNXBMFYSA-N 403.533 1.266 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2cncn2)nc1 1507818792 NYSCBOKCHBWZJX-MRXNPFEDSA-N 407.482 1.656 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507843964 ZPRMFYSGEJBLAL-JYJNAYRXSA-N 402.499 1.069 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508087982 VDESUWNBMKMBJI-LJQANCHMSA-N 423.496 1.487 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1508090920 QBKQXXKKBOXCCI-UHFFFAOYSA-N 413.526 1.775 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCc2ccn(C)n2)CCOC1 1508410818 GKKGGMXAWVVSIV-OXQOHEQNSA-N 401.515 1.891 30 10 HDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508624674 CHEDCPJZXBCGLQ-JOCHJYFZSA-N 423.521 1.823 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cnnn1 1509025058 MDSPJISBZSEIBY-SFHVURJKSA-N 407.482 1.928 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccsc1 1510188004 BWNXKKIWRUUXQT-LRDDRELGSA-N 412.516 1.634 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1Cc1ccc(C#N)o1 1510232823 NIHAOLTZDXTLOI-CYBMUJFWSA-N 420.495 1.161 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cnc(Cl)cc3C#N)CC2)cn1C 1519996002 DUXUMUVWNRQXIQ-UHFFFAOYSA-N 422.898 1.688 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCn2cc(CO)nn2)c1 1521069290 HUAWLRAAAVWEMY-UHFFFAOYSA-N 417.477 1.731 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C1CCOCC1 1533501650 ZWNVLKVNZIFGSG-FTRWYGJKSA-N 420.531 1.643 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)s1 1535417353 JSNWLEHTDWJEOL-UHFFFAOYSA-N 413.521 1.380 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCS(C)(=O)=O 1539031075 WJRSEAPCJHELMG-CYBMUJFWSA-N 409.537 1.162 30 10 HDEE C#CCN(c1nnc(CC)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539221235 ZAIALAFEDBXCJB-AWEZNQCLSA-N 408.553 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1539290322 SBMGWFPHQYECHA-UHFFFAOYSA-N 412.457 1.388 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1539396963 VRUUOYHNOKJKQX-XSLAGTTESA-N 411.506 1.295 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2(O)CCC2)n1 1539424145 MDZMTXBAXCOJDA-UHFFFAOYSA-N 423.521 1.681 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)CC 1539563921 QYLUNTSMHJEXKB-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539639927 CVCOCKUQISRXJM-MXTNKPTQSA-N 419.526 1.223 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539884278 HYNXZKHOPLUQHP-HNNXBMFYSA-N 407.540 1.599 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cccs1 1540861994 NYDBTLQSSARVEB-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1540869986 BTXVWWRLGQDQKR-ROUUACIJSA-N 403.527 1.727 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1544117097 NQDIGAJOLLLJAG-AUUYWEPGSA-N 405.503 1.424 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CCO1 1554443146 FBDIPBOVQJUNGA-QGZVFWFLSA-N 407.434 1.113 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1554516321 CTYMAVWLDUJYBK-KRWDZBQOSA-N 406.450 1.498 30 10 HDEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1557338715 BSAWCCLIENRTNH-JTQLQIEISA-N 407.286 1.610 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 1557564063 ICOOJZKIXIUHMB-PEBVRCNWSA-N 401.435 1.496 30 10 HDEE N#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(F)(F)F 1558443611 ZZPZAZRNKFDHKC-OCCSQVGLSA-N 405.398 1.718 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OCC 1561574384 RIIDOPLSBQLSCX-AWEZNQCLSA-N 413.448 1.436 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1564723991 MLKLGXUHHVDGIF-LJQANCHMSA-N 414.506 1.202 30 10 HDEE COc1ccc(CS(C)(=O)=O)cc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1568900767 GNOAFNDOTGPUEV-ISLYRVAYSA-N 407.448 1.095 30 10 HDEE CC(C)CN(CCC#N)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1583569538 MUFROFJOGUDLRN-OAHLLOKOSA-N 401.529 1.809 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1583629262 ANMDZNXHAMCIBE-CGZBRXJRSA-N 403.504 1.631 30 10 HDEE COC(=O)C[C@H](C)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1587764105 XRGOCAJRZMMOPS-ZDUSSCGKSA-N 408.296 1.959 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1588259111 QTPITCKAYHAOCV-UHFFFAOYSA-N 418.505 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](COC(C)C)C1 1595785392 ZEBAWTKYENRNHW-MRXNPFEDSA-N 423.539 1.504 30 10 HDEE COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1596564402 DRTBNBVRCUMBMG-AWEZNQCLSA-N 400.403 1.787 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](O)C1 1622479160 SYBNZQUMMJTARY-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1623658721 BQBJYYJNXRYVQP-AWEZNQCLSA-N 400.447 1.520 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1625006018 JLTZEKNPCVWMJP-KBPBESRZSA-N 423.963 1.953 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(=O)N(C)C)C1 1626435850 AXJKMGUVWDBFHW-HOCLYGCPSA-N 420.535 1.077 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C2 1628184249 GBNHPPXOTILUES-UHFFFAOYSA-N 418.862 1.131 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCCNc3ccc(C#N)cn3)=NO2)C1 1629662518 QHKWOQLKMCHMDK-HXUWFJFHSA-N 414.466 1.637 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)c1 1635659954 YMVYRJJPBZJGBI-UHFFFAOYSA-N 413.499 1.262 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 1636502206 NSYJSONBHZFAID-NVXWUHKLSA-N 423.477 1.922 30 10 HDEE Cc1nsc(N2CCN(C(=O)CC3(O)CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1638053115 BEWGVHFFCGQLIP-UHFFFAOYSA-N 421.523 1.344 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)C3(C#N)CC(C)C3)CC2)cc1 1638322474 BZAWLBCPTKIAAP-UHFFFAOYSA-N 409.533 1.934 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)cc1 1642713937 HDFCSBHCCCKTFA-HXUWFJFHSA-N 411.527 1.911 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)c1 1645563759 JXLHOSNDFCKRKP-OAQYLSRUSA-N 418.494 1.352 30 10 HDEE CO[C@]1(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CCS(=O)(=O)C1 1652196987 RWTQOTVJGYKJCK-FQEVSTJZSA-N 401.488 1.899 30 10 HDEE C=CCC1(O)CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)CC1 1654837259 BJHLTGYUFADRDQ-UHFFFAOYSA-N 416.565 1.114 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 1655188477 AHIYZLINIPXJLK-OAHLLOKOSA-N 401.485 1.194 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 1655495439 FHDFZBRCNRUBFK-UHFFFAOYSA-N 400.302 1.034 30 10 HDEE C#CCC1(NCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CCCCC1 1655686448 BGHWQZVOKZZOIS-NRFANRHFSA-N 412.490 1.809 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)CC1 1656624114 CJFDNDSLZZWICG-UHFFFAOYSA-N 402.419 1.735 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1662926867 VFCNXTHJVWVIOJ-VQTJNVASSA-N 409.511 1.545 30 10 HDEE COC(=O)[C@H]1CN(C)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1663921128 FDDBAYVSRJLPDU-LBPRGKRZSA-N 416.297 1.046 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OC 1664237766 OPZYLEDYLWWHGO-ODCWNRFASA-N 403.526 1.722 30 10 HDEE C=C(C)CS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1665133537 GKUYINKGDGWASX-KFWWJZLASA-N 415.512 1.407 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@H]1CS(N)(=O)=O 1665530036 BCFSLODDQYJBFI-LBPRGKRZSA-N 422.326 1.152 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1670587858 FABCTOWAYLNLHI-UHFFFAOYSA-N 402.270 1.691 30 10 HDEE CCn1[nH]c(C)nc1=NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1673037104 BCLFBONMFSLDLB-UHFFFAOYSA-N 405.466 1.644 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 1675999718 UUGPXHDRUXPFBU-HNNXBMFYSA-N 404.515 1.803 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)nc1 1685094198 SGLIGRUWJOUQFU-KCBNDJSGSA-N 417.535 1.895 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccccn3)n2CC2(O)CC2)c1 1689871943 JOBSONIYHCTWDF-UHFFFAOYSA-N 416.485 1.845 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1690059429 PTXXVRGSPHZETD-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1690145895 AMXODQWZGOIEQR-UHFFFAOYSA-N 422.533 1.590 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(CS(C)(=O)=O)CC1 1690189172 VMCGGPJADLCESU-GOSISDBHSA-N 407.540 1.233 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(N)=O)CC1 1690249744 ABENZWTVJNJNKR-QUCCMNQESA-N 410.522 1.947 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690299098 FCBZXUZMAYCXRV-QGZVFWFLSA-N 417.514 1.320 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690342487 MMHXRQLBBTWVRP-NSHDSACASA-N 415.903 1.628 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CC1 1690411470 MVJIQXOKPMORSO-KRWDZBQOSA-N 424.567 1.514 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1690474121 SKFIFKDDRFEUPM-UHFFFAOYSA-N 405.524 1.887 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1690556396 VXMRYEKFFRAHJB-FQEVSTJZSA-N 420.535 1.591 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(c2nc(C)no2)CC1 1690726483 BRDOFLAMINNMOH-UHFFFAOYSA-N 420.539 1.907 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1692219299 SOEARZJITJIQAG-QGZVFWFLSA-N 411.510 1.563 30 10 HDEE CCc1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694656817 TYPGGFGWZGTXIT-VHEBQXMUSA-N 410.482 1.269 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1696061869 YHSAOIBXBPPFDZ-GBESFXJTSA-N 409.462 1.178 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705562312 ZSCPEZVSMDNGBR-HOTGVXAUSA-N 409.556 1.333 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](CC)OC)CC1 1705642499 WCBYECXGCLQEJL-INIZCTEOSA-N 416.551 1.450 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705811140 SJKWGFJXNPYKEF-GOEBONIOSA-N 412.560 1.159 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705901634 RIBPDSZWUSGKHN-UHFFFAOYSA-N 416.511 1.164 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1705920078 POVFVAALTXBYPG-LJQANCHMSA-N 422.489 1.457 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1COCCO1 1706316471 XNVLTTYMWGFQSX-SFHVURJKSA-N 411.510 1.800 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1711301235 MBULJHQCLUMDPU-JCGIZDLHSA-N 412.494 1.175 30 10 HDEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1712394820 KDYKHRAIDZLVQG-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CC1(O)CC1 1712452841 QSDKPMUPXJSPID-UHFFFAOYSA-N 409.288 1.927 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOCC1 1712526444 XEXJTIASAYLUDT-SFHVURJKSA-N 420.558 1.854 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1712882488 HWHCSAUPJCYUOB-IRXDYDNUSA-N 423.539 1.116 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(N)=O)CC1 1722328023 WFDHFJRGBIUYFH-UHFFFAOYSA-N 419.493 1.426 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C#N)o1 1722376991 LDWPJTTUFZNCJR-UHFFFAOYSA-N 409.413 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCCC1 1722380010 AMFFZWPZGYATMV-QGZVFWFLSA-N 408.506 1.811 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NC(C)C 1722427795 ZMXMSJXLOGZVOX-UHFFFAOYSA-N 405.449 1.758 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722439882 SYSJVXIGEWLAQR-UXHICEINSA-N 410.522 1.071 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722492626 GCJFJTJOERJUGT-IEZWGBDMSA-N 408.510 1.945 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1722743547 DGOXDKFBBLENHX-JYJNAYRXSA-N 422.555 1.135 30 10 HDEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722855741 OUPVXTJNUMXOLS-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE Cc1nnc(N2CCO[C@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726411791 KLSQZULDSTVBSP-NIQRWSHPSA-N 402.499 1.754 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1726723433 QACLJNXIDOKZKM-APWZRJJASA-N 413.478 1.759 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1726724254 GKZCKWASHCPWAU-HNNXBMFYSA-N 419.507 1.389 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1(O)CCC1 1729066357 BOLTXRMGLOKWGE-UHFFFAOYSA-N 411.510 1.713 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1730473254 XXHYAPHQSWDOKB-GHTZIAJQSA-N 413.478 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1 1740555585 LLIYOXWRBPWYHH-OAHLLOKOSA-N 402.568 1.939 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1740610268 VLHLSDKZXWNRSY-MRXNPFEDSA-N 412.519 1.690 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1740614566 WBQPFKAYHUFKNY-JOCHJYFZSA-N 409.490 1.946 30 10 HDEE C#CCN(c1nnc(COCC)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740628948 XAKUISCPNNADQL-QGZVFWFLSA-N 418.519 1.520 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CCC)OC 1740636451 ZLERVVUGIIIVRH-IBGZPJMESA-N 404.478 1.809 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740781933 MBTYQRFOOUCOQJ-OLZOCXBDSA-N 409.512 1.840 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1740783480 JEPIZIYCQLFVOV-SJORKVTESA-N 418.542 1.344 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@H](C)C1 1740882662 TWGZOQMMJYIVMS-OAHLLOKOSA-N 413.478 1.933 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1740932176 IOAKGCPZVHSJKV-MRXNPFEDSA-N 421.567 1.665 30 10 HDEE C=CCn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@@]1(OC(C)C)CCOC1 1740950181 UKRKQHVVYJKTTM-GOSISDBHSA-N 411.457 1.998 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740954496 ANMRSXNEBRDVFU-QAPCUYQASA-N 410.478 1.359 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC(C)C 1740959450 WCYKOINGLYCBPB-UHFFFAOYSA-N 423.521 1.977 30 10 HDEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1741838374 GAJOMOSPLGYIOO-QGZVFWFLSA-N 419.537 1.827 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1748730281 IDCVLZRGHQOTLD-IBGZPJMESA-N 416.570 1.911 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1748751111 CBGOUPBAGPILLQ-QZTJIDSGSA-N 406.552 1.847 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1748752455 XOAOZSIBJNLAOV-OKZBNKHCSA-N 403.527 1.563 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1cn[nH]c1 1748824878 LORZVPCCQDZMJP-UHFFFAOYSA-N 421.892 1.900 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1748830266 SHXQWVYDDJNUPM-NRFANRHFSA-N 411.462 1.026 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CCC(=O)N2CCOCC2)CC1 1749330080 XDXPPOLBPGULPU-KRWDZBQOSA-N 421.542 1.653 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1749525855 VZURZMBYCXSHEY-UHFFFAOYSA-N 407.540 1.523 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 1749719476 WDYBCWYCFNYFLN-WIYYLYMNSA-N 418.469 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@H](C(N)=O)C1 1749736475 JVPILZXGMJFDNL-KRWDZBQOSA-N 417.535 1.090 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1750059807 BWBPUOINHDHMOH-KGLIPLIRSA-N 424.502 1.702 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1O 1750335939 LLQZKDBRISVENZ-COXVUDFISA-N 423.477 1.012 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1751094134 FAKLNKCRBUYPBF-AWEZNQCLSA-N 411.466 1.731 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCCO1 1752389824 ZODRSMBPYUEHNB-KRWDZBQOSA-N 415.494 1.743 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1760137623 LLNVIZSAGHFNQE-MRXNPFEDSA-N 422.511 1.039 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1760149718 CIYSVBSDRVGFCV-UHFFFAOYSA-N 419.507 1.115 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760172086 MJAQQPPVVLBQMA-SQNIBIBYSA-N 415.517 1.588 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760181058 PAIMMHKZSAVDBO-QKPAOTATSA-N 414.503 1.159 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1OCC[C@H]1C 1760201880 LUCHWTZPIOFOJD-VQIMIIECSA-N 416.485 1.690 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)N(C)C)c1 1760247853 RXJIRVFYSFHANM-UHFFFAOYSA-N 421.505 1.515 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCS(=O)(=O)NC)CC1 1760385467 VBCOPZBTFNNNNU-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1760427880 KLTUOTKIUCFELS-OAHLLOKOSA-N 415.585 1.521 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(C)c2)CC1 1760521390 RFCOXYFLADYDOD-GOSISDBHSA-N 423.521 1.166 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1763583080 WKWOVJCKRSIEPN-GOSISDBHSA-N 412.494 1.870 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@](C)(C#N)C1 1768285570 JICRSRBENPURJF-GOSISDBHSA-N 405.528 1.733 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1770013987 DSOOHOMPOFHXNA-UXPWSPDFSA-N 406.531 1.199 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](N4CCCC4=O)C3)n2CCOCCCO)c1 1770745954 HOERVHWOIKSLPR-IBGZPJMESA-N 424.505 1.417 30 10 HDEE COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1)OC 1770755759 GUQFSXQTHMOUQW-ACJLOTCBSA-N 403.418 1.029 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772787279 CLRHPHDJJKWEJA-CQSZACIVSA-N 417.418 1.257 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CO2)nc1 1851682729 JJOYBSZMARSXMP-MSOLQXFVSA-N 424.388 1.240 30 10 HDEE CCCC(=NOCCCN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853551328 XCUPYPWXEIHFRN-UHFFFAOYSA-N 424.523 1.312 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCc2ccccc2F)C1=O 1853828698 OLYFMOAJKYOCSU-OALUTQOASA-N 401.482 1.995 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(-n3cccc3)ccn2)C1=O 1854208949 BSWOCLZDTJYEJW-OALUTQOASA-N 407.474 1.332 30 10 HDEE CCc1ocnc1C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854799796 VDKDTVWLZNJWPN-MRXNPFEDSA-N 409.446 1.788 30 10 HDEE Cc1cc(OCC(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)cc(C)c1Cl 1854872763 RFVHLLSZYDCTPB-ZDUSSCGKSA-N 413.883 1.248 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4c(c3)ncn4C)C(=O)C2)C1 1855005490 CSUYLRVLBFVGIW-AEFFLSMTSA-N 408.506 1.624 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1 1855235585 ANZOLTPWKZLYAY-MSOLQXFVSA-N 403.523 1.453 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H](F)C3CCCC3)C2)CC1 1855838249 KSDLUTNISFKNFN-OXJNMPFZSA-N 413.497 1.979 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1855861851 HUSNXNQZGUBWFT-ZDUSSCGKSA-N 411.384 1.642 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C1=O 1856041277 KSNVBYQTDJLBIG-VQIMIIECSA-N 409.490 1.934 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(OCCOC)cc3)C(=O)C2)C1 1856865852 BVCFVLJQOVNSOB-IBGZPJMESA-N 401.507 1.647 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC[C@@H]2CS(=O)(=O)c2ccccc2)CCC1=O 1856886745 XWNYWMDQQQRWND-DLBZAZTESA-N 403.504 1.604 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn(C(C)C)c2)C1)[C@H]1CCN(C)C1=O 1857053760 VJTKRLHSGCQMPZ-AEFFLSMTSA-N 401.511 1.562 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)CC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1857398129 ZORPFXTXNDKVRE-LBPRGKRZSA-N 410.400 1.186 30 10 HDEE COc1ccccc1CCNC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858422537 VBBKIWKYYKZFLN-GOSISDBHSA-N 413.499 1.936 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(C)(C)C)cc1 1865722569 UYYWYNLPKRQXOG-OAHLLOKOSA-N 424.501 1.378 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866341602 SRRTVELQVWEFKO-LLVKDONJSA-N 402.363 1.186 30 10 HDEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870562092 QZQJOABEAQLLFE-UHFFFAOYSA-N 410.518 1.740 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644219 QIKMWQVMLRWGNS-UHFFFAOYSA-N 417.470 1.373 30 10 HDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCO)ccc1OC(C)C 1874436352 XCQSFBNHEJTECA-KEBDBYFISA-N 407.496 1.677 30 10 HDEE N#Cc1cc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 1882497513 KEMHHKNIVZZAAG-KRWDZBQOSA-N 420.418 1.992 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c[nH]c4ncccc34)CC2)CC1 1889463293 AFDBVQOZLLSFPX-UHFFFAOYSA-N 409.534 1.825 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 1985007913 RXPQDVAUMLAXLN-WMZHIEFXSA-N 415.534 1.998 30 10 HDEE C=CCn1ncc(NCCn2cc(I)cn2)c(Cl)c1=O 2153473082 GRSXFUAOZFNCIS-UHFFFAOYSA-N 405.627 1.996 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174772801 LSTNSORMOFSQSA-HOTGVXAUSA-N 400.545 1.635 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 2174780849 ZAJJRXUTIFWXBB-HIFRSBDPSA-N 402.517 1.081 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2202905268 BGIDRXVFBZNTNV-UHFFFAOYSA-N 403.545 1.504 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C)cc1NS(=O)(=O)CS(C)(=O)=O 2203813447 WIJSQSPBZRHNER-UHFFFAOYSA-N 403.331 1.346 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243418739 KAWRXFFKARIPQE-RYUDHWBXSA-N 408.308 1.740 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247824140 UTQXVQHQBGXUEL-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE C#CC(CO)(CO)NC(=O)c1ccc(Br)cc1NC(=O)OC(C)(C)C 2261458460 BTIYVHFLESJXMQ-UHFFFAOYSA-N 413.268 1.883 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3ncncn3)cc2Cl)OC1(C)C 2267356557 MUAZRSVDYCTJLI-UHFFFAOYSA-N 402.694 1.687 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CN)C(F)(F)F)c2)OC1(C)C 2267370189 ICYYQLVXPFCKGW-VIFPVBQESA-N 400.253 1.215 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269033151 USTHYUAGLQNPNQ-QMMMGPOBSA-N 409.722 1.794 30 10 HDEE CN(CCCNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281798343 HCIQOFOHEHYSIX-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CO[C@@H]1C[C@@H](CN)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281970251 CMDCKJBYTISJOH-WDEREUQCSA-N 400.737 1.889 30 10 HDEE Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282110700 QKWXVSZPIYWGDS-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE CCOC(=O)CCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282344282 AWWNMQVNZRUNCX-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@@H](N)CC2)OC1(C)C 2282500464 KWVVCQANEAQGAQ-CHWSQXEVSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@]23CC3(F)F)OC1(C)C 2282831843 FLWXFAALOGRGMV-HZMBPMFUSA-N 406.285 1.659 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](N)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834970 ZGXLLDHQYPSXSC-STQMWFEESA-N 400.375 1.856 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282838827 VBNNHHMYDWACCJ-VDBVYFBLSA-N 421.415 1.743 30 10 HDEE C[C@@H](O)[C@@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845347 QVDXPHLHDAZDTA-OCCSQVGLSA-N 401.359 1.722 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CO 2282851269 ZQYVGOLXRVQFJN-PXAZEXFGSA-N 401.359 1.686 30 10 HDEE C[C@H]1CCNC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852543 QITMNRXPJSXEBW-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2283929581 LMNNYUJRAFYUEY-CYBMUJFWSA-N 406.379 1.351 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@]3(C)C(=O)O)s2)OC1(C)C 2284395878 QLCMUVHCNIXYNY-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CC(C)(CCC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284402160 GTYOFXVCXUETMG-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284408113 SEKBNKDRZINRKW-IUCAKERBSA-N 421.733 1.700 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@@H]2C(=O)O)OC1(C)C 2284409500 JYNINRDFBWRUFA-CMPLNLGQSA-N 401.315 1.579 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2288515861 AWPKMHUDRLZKRA-GFCCVEGCSA-N 411.471 1.319 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2296620567 ALZLJKPIUUDION-GOSISDBHSA-N 411.462 1.175 30 10 HDEE CCOC(=O)CCN(C)C(=O)C(=O)C=Cc1ccc(OCC(=O)N(CC)CC)cc1 2323178194 VUQWWFVRPPWQFM-UHFFFAOYSA-N 418.490 1.928 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4ccc(O)cc4)n3C)n(C)c2=O)cc1 2328607863 KGJMYFJROLOULY-UHFFFAOYSA-N 418.457 1.942 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(N)c1 2329485012 UBJVGXGEFIIBDT-VDZJLULYSA-N 412.471 1.828 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 2365206008 WJPYCJSSQIVMSZ-KHYOSLBOSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365207645 PVXYGZXRUFJWEX-GEVJBBTPSA-N 400.541 1.195 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367786523 VWJUAZGHUZMIPS-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367795118 KWOUGSDNUBGVIE-DYVFJYSZSA-N 403.497 1.730 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 32819717 ZYPDMAQSBCEMEC-LJQANCHMSA-N 421.432 1.238 30 10 HDEE Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@](C(=O)O)([C@@H](C)O)N[C@H]2c1ccc(C#N)cc1 248109889 NFZFLSNRRBHNCS-RXFDCNFWSA-N 419.437 1.521 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254705325 DOEPLKHAOBWGLS-KBPBESRZSA-N 410.473 1.355 30 10 HDEE CN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409478057 ZBHRUDZRRATIIA-RCBQFDQVSA-N 402.879 1.283 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 429459654 YRBIPZYNJPSXTP-CLCXKQKWSA-N 421.505 1.567 30 10 HDEE C=CCC[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 435112975 FUMFPUDEHHAXFF-FQEVSTJZSA-N 400.523 1.880 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(c2nccn(C)c2=O)CC1 466710288 LLCIOWHLSTYVBZ-KRWDZBQOSA-N 424.505 1.246 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 469297087 YYFQAJZLCCYWNY-MJGOQNOKSA-N 405.520 1.988 30 10 HDEE CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2cnc(C)c(C#N)c2)c2ccccc2O1 489044666 LJDYDIHJXQRFGT-SFHVURJKSA-N 400.460 1.744 30 10 HDEE N#Cc1cccc([C@@H]2CN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CCO2)c1 501477354 YLOUGPBQGCRGBV-FQEVSTJZSA-N 411.483 1.786 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(CC(=O)N4CCc5ccccc54)CC3)n2c1 509400234 FSSALMDFYQGEAH-UHFFFAOYSA-N 400.486 1.913 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n[nH]1 513940128 MLJKZEGDMQHHKW-OAHLLOKOSA-N 402.480 1.591 30 10 HDEE C[C@H](CC(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 517799317 ADQGWOGPWNBWRO-OAHLLOKOSA-N 416.478 1.993 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1ccccn1 523182347 HRKUWKYFGBSUGQ-UHFFFAOYSA-N 416.506 1.815 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)Cc2cccc(C#N)c2)c1 532420604 SOIAHMXASHWBPI-UHFFFAOYSA-N 402.476 1.706 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C[C@H](C)C#N)C2CC2)c1 533142191 KCUUXGSFLITCMQ-OAHLLOKOSA-N 420.535 1.598 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 544881258 AGDFBUGDEUSCMJ-MRXNPFEDSA-N 409.490 1.797 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 546925479 OVBBBASLXMEVQI-QGZVFWFLSA-N 420.473 1.599 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@@H](CC)C1 549247786 CONIQJMMZSVIBC-CVEARBPZSA-N 414.576 1.011 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@H](Oc3ccc(C#N)cn3)C1)C2=O 561099121 DKZCTXJBRHHDNM-PKAMJGAUSA-N 411.462 1.434 30 10 HDEE CN(C)[C@H]1CCOc2c(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cccc21 574682404 NSGFVYOUJJRNJI-SFHVURJKSA-N 414.487 1.860 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)cc(COC)c2)CC1 576434893 BKCKJXYUJVILPN-UHFFFAOYSA-N 401.916 1.095 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3C[C@@H]3CCCO3)CC2)c1C#N 583072227 JBXSEOVLZCWULH-KRWDZBQOSA-N 410.526 1.965 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(-c2cccc(C#N)c2)no1 583123455 POLBBORAAHXUKS-AHCXZYCDSA-N 409.398 1.778 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccco2)C1 585824408 QOUZXDMZGBONBI-WXVPVVBVSA-N 407.426 1.395 30 10 HDEE N#Cc1nnn(CC(=O)Nc2ccc(Br)cc2Br)c1N 713457703 KDWOGQRAAMAYDT-UHFFFAOYSA-N 400.034 1.896 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 727988374 CGVKFCMKUWSEGW-QOBDKFOYSA-N 424.548 1.749 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730139711 CFUPLDVKBUTYKY-HNNXBMFYSA-N 412.943 1.986 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 730145350 ZUBKOEPOALHIIK-INIZCTEOSA-N 417.922 1.844 30 10 HDEE CCOc1cc2c(cc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@@H](C)C2 732442965 CPCIDTVAFMHIMZ-UUPHZHHOSA-N 414.462 1.734 30 10 HDEE CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732705882 ILHCWXXFMLSGDZ-AWEZNQCLSA-N 409.412 1.909 30 10 HDEE C#CCNC(=O)c1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nc1 732921055 IGIAOEIEPUILEH-UHFFFAOYSA-N 412.877 1.826 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 733150269 GFUJPQQMIDWARN-UHFFFAOYSA-N 421.423 1.339 30 10 HDEE COc1cc(F)ccc1N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 734669125 QSSZLGJAMWKPRW-HNENSFHCSA-N 417.441 1.192 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2cccc(-n3cncn3)c2)cc1 734706355 DZWIVTGNDGWZKY-SFHVURJKSA-N 402.414 1.930 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 739001764 DMBOXDGULFEYLF-LZICOFPGSA-N 414.437 1.956 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc2c(c1)OC(F)(F)O2 741340067 BYKPUBRCOGRTEC-WUKNDPDISA-N 423.328 1.406 30 10 HDEE CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1 741460943 UNOBHARMSYSFJZ-CQSZACIVSA-N 409.493 1.642 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCCN(Cc2cscn2)CC1 743902881 AGCSUUSWKOYOQF-UHFFFAOYSA-N 416.478 1.967 30 10 HDEE CN1CCC[C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1cccs1 745813183 JIXDXSKUPJWNRR-ANADWABWSA-N 417.535 1.957 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 747254962 UJZQHISJJINRSP-WEVVVXLNSA-N 412.471 1.650 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](O)c1c(F)cccc1Cl 752963356 GBWUFDXOEMNJKN-FLMORQRZSA-N 410.833 1.727 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 753743678 NXSYCALFDVCQMU-SNAWJCMRSA-N 422.507 1.689 30 10 HDEE O=C(O)C#CCNC(=O)C[C@@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757470095 AKJUPFIIYVNAFD-OAHLLOKOSA-N 422.437 1.480 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@@H](C)C1 760750562 KPCMDCVDIZNGRW-IKRFMFEDSA-N 421.523 1.584 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccc(F)cc3OCC#N)nn2)cc1 761170311 AHQZOSYDKOLGHL-UHFFFAOYSA-N 424.392 1.572 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)c2nccn2C)C1 770868428 JPEWTGUUZLLVBR-KGLIPLIRSA-N 419.463 1.017 30 10 HDEE C=C(COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 771449829 ZHDDIUXOAPHBPX-HXUWFJFHSA-N 404.419 1.433 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 772378837 QEBYXZJBROBKJX-SJLPKXTDSA-N 420.473 1.936 30 10 HDEE CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780215241 QPJQPISBNCCTFM-LJQANCHMSA-N 415.471 1.361 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN/C(O)=C1/N=CC=CC1=O 782808316 CNMZTOYGPHAFGN-FXDIGPMBSA-N 418.494 1.903 30 10 HDEE N#CC1(NC(=O)COC(=O)c2ccc3c(c2N)C(=O)c2ccccc2C3=O)CCC1 784184733 FIIRQFNRVSIPNX-UHFFFAOYSA-N 403.394 1.763 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1c[nH]c(C(=O)OC)c1 789968465 OLEXJSVLCAKYQR-UHFFFAOYSA-N 403.468 1.279 30 10 HDEE CC(C)(C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 795326130 XJAGRPXBIHCCQK-UHFFFAOYSA-N 400.456 1.927 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)n1cnc(C#N)n1 798398904 CZMGYTNWSPLACN-DOTVFMQRSA-N 401.452 1.162 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)ccc1F 803564461 NDGBHTDAFMHLHV-CZUORRHYSA-N 402.488 1.178 30 10 HDEE COc1cccc(N2CC[C@H](NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)C2)c1 804118607 VVUNQALZYQDQRV-KRWDZBQOSA-N 408.458 1.587 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 812938276 LEZKQJZVRLCHTC-HNNXBMFYSA-N 420.422 1.686 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)OCc2cccnc2C#N)(S(C)(=O)=O)CC1 813309207 XBBCOIFBILHATF-UHFFFAOYSA-N 423.491 1.811 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 813719187 MCGKBDNOMAKEFR-DOTOQJQBSA-N 400.483 1.652 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 839379836 TZVSIEBIIMLNOC-UHFFFAOYSA-N 419.510 1.944 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCSC1 920003534 XHEFCGFMKQMTMB-KBPBESRZSA-N 409.533 1.238 30 10 HDEE CCOc1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 1084138013 FGLBMOFHFDGEEQ-UHFFFAOYSA-N 415.479 1.838 30 10 HDEE C#CCN(C(=O)NC1CCN(c2cccc(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 1116465177 QMJMLGAAEYBEKP-SFHVURJKSA-N 405.520 1.496 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@]2(CCCC(C)(C)C2)C1=O 1130825051 YMHQJKASOJWYOI-OAQYLSRUSA-N 405.495 1.681 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1133977747 CBQNXGUQLIUQBS-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCCN2C(=O)CNC2=O)n1 1136554273 XMCPXZCJBCAQDK-UHFFFAOYSA-N 421.508 1.071 30 10 HDEE CO[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1 1141145141 MACIGHUEKLYLEW-QGZVFWFLSA-N 415.515 1.879 30 10 HDEE C#CCN(CC(=O)NCc1ccncc1OC[C@@H]1CCOC1)C(=O)OC(C)(C)C 1141687571 QMHCZDHLPUATQS-MRXNPFEDSA-N 403.479 1.983 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CCOCC1 1148195544 XDFRVMSXYKXVNI-MJGOQNOKSA-N 410.474 1.081 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C#Cc2cccs2)CC3)CC1 1157375156 KWLSAAOMDRKIKJ-MRXNPFEDSA-N 411.531 1.063 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2)C1 1157463898 ZRZGMZKJEXMSPK-RRRFWMCOSA-N 416.522 1.887 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1F 1157531031 NLLNDRHMBDETAE-KRWDZBQOSA-N 403.435 1.819 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(c3nncn3C)CC2)CCCN1C(=O)OC(C)(C)C 1164123236 BNICFQNJUHVWLQ-FQEVSTJZSA-N 404.515 1.810 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n1C 1164186765 GMZLHRGZMOVTHO-HNNXBMFYSA-N 405.503 1.359 30 10 HDEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1166517774 GHFHQMVDXWLBFG-OTWHNJEPSA-N 417.531 1.327 30 10 HDEE Cc1nn(Cc2ccccc2)c(Cl)c1Cn1c(=O)c(C#N)c(C)n(CCO)c1=O 1166714171 OOYPFBWNENDLMD-UHFFFAOYSA-N 413.865 1.437 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1171219952 SYLAMUNTZYKOLX-KKSFZXQISA-N 423.498 1.704 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCN(C(C)(C)C)C2=O)c(C#N)cn1CCOC 1203101649 FOAYHDDUHXILIB-AWEZNQCLSA-N 419.482 1.704 30 10 HDEE CC(C)(CO)[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1224522720 OJEWGAHZXIODQX-QGZVFWFLSA-N 411.462 1.189 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1286297447 WQEYUPMRYUWIMI-GVDBMIGSSA-N 420.558 1.995 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1286379801 CFZZOGMVCMSJOC-MRXNPFEDSA-N 421.567 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](CC)N1CCCC1 1286407852 TUNZLAYGWYJENE-KRWDZBQOSA-N 408.506 1.953 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC 1286407871 UGYBIGPHYZCSOQ-SFHVURJKSA-N 407.474 1.562 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1286408881 GEBQTQJNRRCTTF-RTBURBONSA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(SC)CCOCC1 1286459941 WZYKUBAOMBBESX-UHFFFAOYSA-N 404.540 1.677 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](CC)OC)CC1 1286480906 QWLRAAWGAUKXGV-YLJYHZDGSA-N 411.506 1.971 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286607150 CATLPXHWYTVVED-IBGZPJMESA-N 418.586 1.812 30 10 HDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286697148 CSHLRCVKJXZEEV-UHFFFAOYSA-N 423.521 1.577 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1286951034 RGARURSPCKYRGT-UHFFFAOYSA-N 405.466 1.263 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1293731277 SVBXRPOQDARZOI-RBSFLKMASA-N 401.529 1.998 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1294530776 CVCXCVVYOQNWPD-MRXNPFEDSA-N 401.316 1.828 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1 1296135238 XMJHARMLBGGPOC-KRWDZBQOSA-N 413.526 1.752 30 10 HDEE CCO[C@]1(c2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)CCOC1 1296527255 PJIPMKMQOXZCQB-HXUWFJFHSA-N 416.482 1.404 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1297513090 WVASRXPCCRKIFX-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1300495392 GZARCHOHJUYHAV-LSDHHAIUSA-N 421.548 1.651 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300665981 QSKDDPVITATLPS-OPYAIIAOSA-N 404.511 1.596 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300884590 KVDMDZVMCYJRRZ-QZTJIDSGSA-N 423.583 1.902 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300919103 VICNIGVGIBEQOL-KRWDZBQOSA-N 418.567 1.948 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300991368 ROKHVTJGDDSIPV-SFHVURJKSA-N 418.542 1.836 30 10 HDEE CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCCn1cc(C#N)c(O)nc1=O)C2 1301213066 MBMWGMDISHPEDD-UHFFFAOYSA-N 417.466 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2CCCC[C@@H]2C1 1301579135 OACSESNSSPDOPF-GOSISDBHSA-N 416.551 1.615 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)C)CC1 1301579494 SRKUWSPSXVNRPX-UHFFFAOYSA-N 421.571 1.200 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1301967964 ICPYTJKMECYFCW-PMPSAXMXSA-N 415.519 1.952 30 10 HDEE CS[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1302590446 GUEZZKULNLKUBG-GJZGRUSLSA-N 406.556 1.907 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1303505517 YDCUFKNAGNCQLT-WMQCIHAUSA-N 419.526 1.864 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CCC[C@H](O)C1 1306193316 FTFPRCBIQPGFRV-SJORKVTESA-N 412.542 1.632 30 10 HDEE CCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1314233752 FRZRBWJSRMWNMG-GOSISDBHSA-N 405.462 1.835 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CCO1 1315014234 BXBIXCPTUCMRQF-IBGZPJMESA-N 424.505 1.870 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOCC1 1316169202 MZKCYRIMCHWRFH-KRWDZBQOSA-N 406.531 1.464 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 1343059747 ORVVHXQIUOWGEH-CVEARBPZSA-N 402.447 1.825 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCC)c1 1358977425 MEMPAFVLTJZTNG-SFHVURJKSA-N 404.474 1.100 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1snnc1C 1358980966 QMOISIMAHDBGCG-UHFFFAOYSA-N 402.487 1.798 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1359014140 YMOFFLIKBJLVGG-HRAATJIYSA-N 400.479 1.865 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCC(=O)NC1CCCCC1 1359024795 WEDLMRITHIUEMF-QGZVFWFLSA-N 403.527 1.707 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359054727 FEKCLFKWZTVIQJ-IAGOWNOFSA-N 400.508 1.486 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359203463 PKUXOPGSUAGHOC-KXBFYZLASA-N 407.540 1.253 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1359240468 OWXUPQRGNGSBNV-UHFFFAOYSA-N 410.526 1.601 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCNC(=O)C1)C(C)C 1359266320 YJAMNHAMTVOGMO-LJQANCHMSA-N 409.538 1.975 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(OC)c1 1359291436 PYBYOGBXDCDRIB-UHFFFAOYSA-N 412.494 1.461 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(N)=O)cc2)C1 1359319303 WVBHYFRFZOQTQT-QGZVFWFLSA-N 405.462 1.664 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CCC2=O)cn1 1435601941 ZKWABZJHARXZHJ-MUYFXNHWSA-N 422.489 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)CC1 1447487002 OMOQGOULCCFMGW-NRFANRHFSA-N 410.511 1.846 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1449427510 SIRGRSPXXRFWEB-GJZGRUSLSA-N 408.476 1.067 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1455908960 BEVRLPDGMZDSCB-LPHOPBHVSA-N 420.473 1.903 30 10 HDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)c(Br)s1)C1CCN(C)CC1 1456170283 SHTWXWCBUJVCMU-UHFFFAOYSA-N 420.354 1.328 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C#N)c1Br 1462079326 YFNNCGICKODCIO-NSHDSACASA-N 415.265 1.123 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1C(=O)OC 1463401770 VVWBPRFHLVXVKJ-IAGOWNOFSA-N 409.398 1.780 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1465060057 PPJNFRMMRXFMHP-YQQAZPJKSA-N 409.508 1.380 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1467990836 FHMDEFNUKDVMAF-LBPRGKRZSA-N 405.314 1.756 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)c1cccc(C#CCO)c1 1468517174 FBCGYVDVKJXHAE-UHFFFAOYSA-N 413.474 1.677 30 10 HDEE C#C[C@H](NC(=O)NCCCN1CCC[C@H]1C(N)=O)c1ccc(Br)cc1 1470664374 YYZAMMGEGSUFOF-HOTGVXAUSA-N 407.312 1.762 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cccc2c1OCCO2 1471431730 QMFVGRXTHISNEZ-OAHLLOKOSA-N 408.462 1.582 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCC(=O)c3ccc4c(c3)OCCO4)C2)c(=O)nc1O 1472370104 CPGQASDXIPJSER-UHFFFAOYSA-N 424.413 1.028 30 10 HDEE COC(=O)[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCOC1 1472399460 ILVPLOSMJLISCS-IRXDYDNUSA-N 408.495 1.579 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)c1 1472605533 UJORSKOYRDIKGR-UHFFFAOYSA-N 408.439 1.498 30 10 HDEE Cc1nc(O)c2c(n1)CN(S(=O)(=O)c1cc(Br)c(C#N)cc1F)C2 1475654411 DOMDOERATCEFRZ-UHFFFAOYSA-N 413.228 1.968 30 10 HDEE CCOCc1nnc(N2C[C@H](C)C[C@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1503028270 AYLBWBGTUMEJJQ-NOJWBWKLSA-N 402.499 1.966 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1503725454 MERZNWICZRXMKQ-YADHBBJMSA-N 421.505 1.257 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCCn2ccnc21 1504886205 DSROZXAYLHCBCV-INIZCTEOSA-N 407.482 1.876 30 10 HDEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(S(C)(=O)=O)CC1 1507582160 DAFJDKJOZDPEGP-UHFFFAOYSA-N 412.519 1.921 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507595503 QUFJCRGSTCNLOO-QGZVFWFLSA-N 424.505 1.835 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507622858 MNANLBUGCRLRNW-CABCVRRESA-N 420.539 1.606 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507634387 KFGFGAXZKGNCKU-AEFFLSMTSA-N 417.535 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(N)=O)CCCC1 1507661207 PEFPKCXUCINJRM-JOCHJYFZSA-N 413.522 1.439 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1COCCO1 1507711682 GWXLOLIAGFSXCC-HNNXBMFYSA-N 406.433 1.649 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC1 1507730534 SJLMFHCWBVNNSS-UGKGYDQZSA-N 411.506 1.707 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCCCC2=O)CC1 1507731535 KZQBSOIPYNMLPE-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C[C@H]2C)CC1 1507735925 JMGLEWQJXZXYGU-SOLBZPMBSA-N 403.527 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC(=O)NCCC)CC1 1507736474 PVCLYRQRSLEFBT-MRXNPFEDSA-N 402.543 1.674 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507845177 XQSJZBQTYGQERW-DLBZAZTESA-N 412.556 1.778 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cnnn1 1508580147 FSGZXQQCCPVJCT-UHFFFAOYSA-N 422.497 1.478 30 10 HDEE C[C@](O)(Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510233760 GSKOAUIGJZXKJK-KNQAVFIVSA-N 404.474 1.900 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)CC2=O)cc1Cl 1526828675 DKOLUNMRQIQFJA-QAPCUYQASA-N 410.861 1.777 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C)C[C@H]2CNC(=O)OC(C)(C)C)C1=O 1533043608 SUDIYJBSCXUFSE-KGLIPLIRSA-N 422.482 1.115 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1533634805 SLGYFVOZODWOLB-LLVKDONJSA-N 407.215 1.752 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@]23COCCN2C(=O)OC3)cc1Br 1535462148 WPKKGLQKZDYYOM-MRXNPFEDSA-N 410.224 1.037 30 10 HDEE CCOC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1537711420 DWDHYZINOBVHFH-ZIAGYGMSSA-N 404.854 1.912 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc3c2OCCO3)cc1 1538303373 MIUUNCQZAHFCRN-UHFFFAOYSA-N 415.471 1.622 30 10 HDEE CC(C)c1ncc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1538310306 UNAWUKSYWXIJGG-BONVTDFDSA-N 413.297 1.373 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1538983801 XUOGRCGEWOKVCZ-QKKBWIMNSA-N 416.478 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1539265006 BXSMDBQIXADOSM-GOSISDBHSA-N 412.515 1.504 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCn1cnc2ccccc21 1539397036 XFDSVVIOOZZMOK-UHFFFAOYSA-N 409.494 1.552 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)CC1 1539445888 JSONLXXBQSVSCR-GOSISDBHSA-N 423.521 1.217 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N(C)C)CC1 1539640726 JNJWOSLYEIZCML-PXNSSMCTSA-N 420.558 1.006 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1539669908 VUIAUZFFGKPLLB-PWECECGKSA-N 400.570 1.494 30 10 HDEE C=CCCn1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 1540746681 DWWJHTBQNSGUAV-UHFFFAOYSA-N 408.441 1.995 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1541137414 RWJOMVRNVISDMS-CALCHBBNSA-N 410.478 1.541 30 10 HDEE C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1541887212 FKDVSGULTRLECX-UHOSZYNNSA-N 424.505 1.811 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1546576732 BBRJECGFPSGIIJ-INIZCTEOSA-N 405.466 1.201 30 10 HDEE CO[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1554604694 CHFIRQYSVREAGB-QGZVFWFLSA-N 418.505 1.892 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1555709999 GZDRBBJXCVXUPR-IEBWSBKVSA-N 424.505 1.585 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C(=O)OCC 1557934848 PXGHBGOOWITMPW-NSHDSACASA-N 413.254 1.931 30 10 HDEE COc1cc(N2C[C@H](C(=O)NCC#C[C@@H]3CCCCO3)CC2=O)cc(OC)c1OC 1558750254 BEAVVCRPVQSRTB-WBVHZDCISA-N 416.474 1.754 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c(C#N)c1=O 1559200730 XBGSWSOGFJRNPP-LPHOPBHVSA-N 422.416 1.948 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 1565642640 MKTXFQKZSDQASN-ROUUACIJSA-N 400.523 1.422 30 10 HDEE C#CCOc1ccccc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1567740942 JUHXCTNGPLIUDM-MRXNPFEDSA-N 408.863 1.630 30 10 HDEE Cn1cc([C@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C2(CO)CCC2)cn1 1569506802 WJDXPLIQUPOUPJ-SFHVURJKSA-N 405.462 1.693 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 1584123927 KMMDQXKYAJCBGB-UHFFFAOYSA-N 424.476 1.866 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ncc3c(c2C#N)COCC3)c1 1584216244 DZSWRHJSMPRLTJ-UHFFFAOYSA-N 400.460 1.965 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)cc2S1(=O)=O 1584313757 KYFAKEDUIWRYAV-MRXNPFEDSA-N 401.492 1.809 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1585422229 XOKLDVRSESFWFJ-GOSISDBHSA-N 402.472 1.644 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588034459 GITCPUNLQQTRKB-QZTJIDSGSA-N 419.551 1.889 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1588044898 CNNRLPYAHRBWHD-HNNXBMFYSA-N 420.510 1.872 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)c2ccccc2OC(F)F)CC1 1588199638 VQLYXHYXHKVLAN-YPKPFQOOSA-N 413.446 1.303 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588224112 PPDTYGXGQZGXBE-OALUTQOASA-N 409.513 1.965 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](COC)OC)CC1 1588837021 PLRNAXLIDKBMRP-IBGZPJMESA-N 417.941 1.939 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1594661827 XQQVJVYTDWVOMK-BBWFWOEESA-N 407.515 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595796685 BJTMHXTUODVFSN-SOABOVLPSA-N 424.567 1.718 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1595844926 JZSLKJZEYQQPMN-STQMWFEESA-N 405.615 1.749 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCc3cc(C#N)ccc32)c1 1597093574 CDAQFRALKUFAPS-UHFFFAOYSA-N 414.487 1.340 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCCS(C)(=O)=O 1608402738 ZRZBFFAEDTYMAR-KRWDZBQOSA-N 414.507 1.073 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1609943521 RKFCUGZVHSVPTK-OAQYLSRUSA-N 409.494 1.256 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1611495737 AXYDSQYBTZSVDD-ZDUSSCGKSA-N 416.459 1.065 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCOCC2)cs1 1612412596 TVVPLYGZGCHWJO-INIZCTEOSA-N 418.523 1.294 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1613594236 DTCNJILGHGPQIK-YYFZDKIDSA-N 404.515 1.476 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)c1C#N 1616431278 YMSISTVKQLNGMC-SFHVURJKSA-N 406.490 1.298 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1617613361 DWCNNOIOYNXZGB-RBUKOAKNSA-N 424.505 1.710 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1619770157 AONGKFCSZXSWQY-RDTXWAMCSA-N 406.874 1.510 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1620532925 YPVZZRGPCMWBCB-QFIPXVFZSA-N 409.490 1.146 30 10 HDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1625165205 HCFCXIAMTLJCGF-LLVKDONJSA-N 421.338 1.022 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)C(=O)OC 1626204966 RWGCDOYGNJELTE-CABCVRRESA-N 410.471 1.189 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nccc(C(F)(F)F)n1 1626576494 DCSPINZRVLHVGP-SNVBAGLBSA-N 413.381 1.350 30 10 HDEE C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCN(C)CC1 1627147117 IFFBXJXTUUBXJF-GDBMZVCRSA-N 403.914 1.317 30 10 HDEE CS(=O)(=O)Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)oc2ccccc12 1627264681 GSOINOXXDNXZJP-FBMGVBCBSA-N 417.443 1.234 30 10 HDEE C#CCCN1CCC(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1629896067 LDTNXTFIFJGZRC-UHFFFAOYSA-N 403.548 1.763 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)N1C(=O)NC2(CCCC2)C1=O 1631330982 PCTWWIXXMDLOGC-YJBOKZPZSA-N 409.490 1.848 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C[C@H](C)O2)C1 1633522553 LGIISNPYUQKJGB-GHTZIAJQSA-N 421.563 1.662 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3cnc[nH]3)C(=O)OC)ccc2c1=O 1635960326 GGKPHPGMPAQKRJ-OAHLLOKOSA-N 413.459 1.108 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 1636929122 QAJDQGFAOXPCLU-UONOGXRCSA-N 404.467 1.928 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)C1 1640069651 ASELHTLQTCYSTD-UHFFFAOYSA-N 412.467 1.188 30 10 HDEE CO[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)s1 1641970467 JDQHZTNWHKEMEQ-NSHDSACASA-N 413.253 1.148 30 10 HDEE C=C(C)CN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)Cc1ccc(CO)o1 1643056266 BVHXCCJWNBMMCM-UHFFFAOYSA-N 406.504 1.870 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)Cc2nnc3c(=O)[nH]ccn23)n(C2CCCC2)c1C 1644355291 CRIJVWFKKHEFPB-UHFFFAOYSA-N 422.493 1.893 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCO[C@H](c3cccc(C#N)c3)C2)CCC1 1645160655 MPPQSMRBVIHXLB-RBUKOAKNSA-N 421.563 1.933 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(C3CN(C)C3)CC2)nnc1-c1ccco1 1645191285 XMRPCNICVCOQHC-UHFFFAOYSA-N 416.551 1.665 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)c2cc(C#N)c(SC)nc2O)C1 1647882781 DNBDCLNXSZZJCZ-JTQLQIEISA-N 401.448 1.910 30 10 HDEE CC(=O)N[C@H](C(=O)NC[C@@H]1CCCN(CC#N)C1)c1cccc(Br)c1 1650833645 BIKZWGGYVMENBK-YOEHRIQHSA-N 407.312 1.978 30 10 HDEE Cc1cc([C@H]2CCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 1652780111 DHVRSNKWSMZRMG-MRXNPFEDSA-N 401.492 1.901 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CCOCC1 1653178806 NECYIAYZGGFNJL-GOSISDBHSA-N 421.925 1.934 30 10 HDEE C[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N1CCC(Cc2ccccc2)CC1 1653759765 IWTBAOPVXFMWIY-INIZCTEOSA-N 421.501 1.547 30 10 HDEE COC(=O)[C@@H](c1ccc(C#N)cc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1654219900 PNPYHDIPGHEMHF-HSALFYBXSA-N 403.438 1.889 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1654577160 CTORUCMSMFRBBJ-SJORKVTESA-N 417.487 1.642 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](O)CC23CCC3)CC1 1654785958 RIAQPQNVFPHRIS-PMACEKPBSA-N 400.498 1.914 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)C1CCOCC1 1659670776 JIJNTXZMGDFLAU-NRFANRHFSA-N 412.534 1.943 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccccc1C(=O)NCc1ccccc1 1659844375 VLANLWKUSIGPFW-UHFFFAOYSA-N 408.458 1.944 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CC(=O)NCc3ccc(C#N)cc3)C2)C1 1660141572 JVBZGOVLNPTSEQ-JOCHJYFZSA-N 414.506 1.886 30 10 HDEE COc1cc(S(=O)(=O)N2CCN(CCC#N)CC2)c(OC)cc1Br 1671005442 GCNDQDFLJMLZLV-UHFFFAOYSA-N 418.313 1.686 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)c1 1673992319 FYKJJQIZTCJIAJ-UHFFFAOYSA-N 404.474 1.886 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCn3c(CC4CC4)nnc3C2)C1 1681226633 JHNFGFVFRCVPRS-LSDHHAIUSA-N 415.498 1.515 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1)c1ccc(Br)cc1 1683512028 FYBUDEQHESXBQY-CABCVRRESA-N 415.309 1.578 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC2(CCOCC2)CO1 1684668091 ZGABVIJGLLTWNK-JKSUJKDBSA-N 400.483 1.154 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1686525431 JQRVTSOGAZFFFQ-UHFFFAOYSA-N 402.476 1.489 30 10 HDEE C=CCOCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1687160062 PYLMJFDTBDNQTB-OAGGEKHMSA-N 424.498 1.413 30 10 HDEE N#CC1(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCOCC1 1687829704 CLSHYALCSNWRMU-UHFFFAOYSA-N 409.494 1.360 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CCOC)c1 1689825704 BPCJXYDCTXXKSI-OAHLLOKOSA-N 408.466 1.275 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1689985876 DKXDIMRBMGXJFN-GOSISDBHSA-N 417.535 1.784 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1689991752 BYWJYLKYJRRFLD-IBGZPJMESA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1689999939 NEPRAFKTJWSLMC-DZGCQCFKSA-N 420.564 1.530 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1690020010 WPGAHYIOPQALNF-HZPDHXFCSA-N 406.577 1.785 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1690060657 DNLQELGGNOQAFN-NRFANRHFSA-N 416.526 1.743 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C)no1 1690094183 VHXKFJCAZIDWJC-FQEVSTJZSA-N 403.483 1.749 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690115788 UEBVSJUIUHVRHX-LEWJYISDSA-N 409.534 1.803 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1690503899 RMFABOKRYKHGQK-UHFFFAOYSA-N 417.485 1.972 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1690619980 LESWTNNFACWDJR-CQSZACIVSA-N 423.477 1.511 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OCC)CC1 1690673817 FWBZZOHBQCZJFU-UHFFFAOYSA-N 418.523 1.511 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCOCC2)C1 1690699630 HGEUOXOGWGNFKC-ROUUACIJSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690715360 JPAKHKXQVASFFY-JKSUJKDBSA-N 409.556 1.594 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1695769819 LWRKOLBLYFNUMS-CQSZACIVSA-N 407.496 1.556 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705530330 MKZUGEMXYISEOX-UHFFFAOYSA-N 409.538 1.821 30 10 HDEE C#CCCCn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705539328 OZALHLQYWNSYBY-IYBDPMFKSA-N 416.526 1.789 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1705541951 VFBLFWWWRCSLOG-AWEZNQCLSA-N 402.524 1.280 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1705548703 QYFHLHTVMWKZIK-UHFFFAOYSA-N 405.480 1.073 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705564558 PDNYIINXJDNQGI-KRWDZBQOSA-N 414.535 1.063 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1705598896 SETNHDLTWVQXOS-HNNXBMFYSA-N 418.469 1.970 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1705612810 PKEKZYKCGBHMSX-IRXDYDNUSA-N 407.540 1.427 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)COC)CC1 1705643296 ZZAGMUYLVCQSQS-GOSISDBHSA-N 413.522 1.903 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1705843586 JICJNRPHRULEHG-INIZCTEOSA-N 403.508 1.144 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)C1 1705925263 NCTHKIABADSMGX-IXDOHACOSA-N 410.540 1.388 30 10 HDEE CCCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709671824 MGKCXKRGDQLZIG-QZTJIDSGSA-N 415.542 1.613 30 10 HDEE CCCNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1709826421 CNKUOUMSUQAXEZ-UHFFFAOYSA-N 410.482 1.582 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1711010308 BLJAVDHVXHYFDA-INIZCTEOSA-N 408.572 1.508 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1722360858 ABGOUIWNSXVTCW-UHFFFAOYSA-N 413.478 1.184 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1722382066 WPKSITONFONPBK-KRWDZBQOSA-N 404.474 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCOCC1 1722399313 MTOYDTQHDJNQLV-HXUWFJFHSA-N 406.534 1.695 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(N3CCOCC3)nc2)CC1 1722431438 LFCPVVKVQTZUAI-UHFFFAOYSA-N 423.565 1.611 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NCCC 1722432407 SFJRSOZEBMRBMW-UHFFFAOYSA-N 407.478 1.970 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCn2cncn2)CC1 1722442598 ZRICUTMEEUHTQN-UHFFFAOYSA-N 422.562 1.926 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1722467239 PALDTHKILPAVQL-IFXJQAMLSA-N 424.571 1.043 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1722629607 MMQVIIGNQOJITB-SFHVURJKSA-N 405.543 1.676 30 10 HDEE CCN(CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)C1CC1 1728498694 AZDZGKMVLGPVRL-INIZCTEOSA-N 407.522 1.968 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(C(OC)OC)c1 1729077018 DMSXPWDWGZIJCE-KRWDZBQOSA-N 401.467 1.883 30 10 HDEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1730479109 HDSVJNYMYYNNLJ-CHWSQXEVSA-N 402.496 1.003 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740588657 XTCBWLBCETXLKI-IBGZPJMESA-N 407.499 1.857 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740594516 OYQFFZAPQZKFCJ-OAQYLSRUSA-N 401.511 1.588 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN(C)CC(F)(F)F)CC1 1740693553 CHTWKTPPGXUXJF-UHFFFAOYSA-N 423.487 1.923 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC1 1740695983 IKUPCOQFQKRRLD-SFHVURJKSA-N 419.595 1.906 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC)CC1 1746510854 HKMJHVJBBUHJAK-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE CCOCc1nnc(N2CCS[C@H](C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1747238378 AREKEHNXPPYXGG-RUIRWZRLSA-N 420.539 1.671 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1748667015 LRVKVENOKPEFMS-HOTGVXAUSA-N 414.510 1.311 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748839540 XLILYGRLZZWHDO-MRXNPFEDSA-N 415.494 1.439 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749027721 STLDVUBCGAGRND-QZTJIDSGSA-N 406.515 1.898 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749038963 NDIRRMWONUGKEF-SJORKVTESA-N 402.524 1.250 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1749147974 VOUGGAYCDOZPAH-VQIMIIECSA-N 412.556 1.767 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CC)CC1 1749286730 QBFZPGQXQUGUBZ-IAGOWNOFSA-N 410.588 1.919 30 10 HDEE COCC1(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1749398047 WGKODVJTCABBKG-HZPDHXFCSA-N 402.499 1.555 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749672251 UULFEOWYZRDIRA-GOSISDBHSA-N 423.521 1.036 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1749727480 VPHDICYHMGNIQY-UHFFFAOYSA-N 409.899 1.136 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1749875327 CFIXJJQAQSAVPN-UHFFFAOYSA-N 410.478 1.312 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC[C@H](C3)C4O)n2CCOCCCO)c1 1750378886 OZOUOCRYKBANIK-YOFSQIOKSA-N 411.506 1.813 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1OC 1760171017 FCFAOHKUNUEHFK-UHFFFAOYSA-N 410.434 1.536 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1760171570 NKFWGBWDYYYYLS-SFHVURJKSA-N 410.547 1.900 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1760206098 QWRHFPUIDIEIAP-OAHLLOKOSA-N 403.533 1.375 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)c2ccccc2)CC1 1760257644 CLKUJLKJEJXYKH-FQEVSTJZSA-N 405.506 1.822 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCCNC(C)=O)CC1 1760258740 RAXKUCZBGORCCE-UHFFFAOYSA-N 417.517 1.775 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C=C)cc2)CC1 1760259992 KHUSDKGNXANPPH-FQEVSTJZSA-N 404.518 1.870 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCC(=O)NC 1760333955 IUHUGXJLNFAAGV-MAUKXSAKSA-N 401.515 1.622 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760355505 MUDDGDSUQLCPAT-UHFFFAOYSA-N 420.539 1.731 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)CC1 1760382595 URBNQGRXXXXIRW-QGZVFWFLSA-N 410.588 1.921 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1760464560 KBOCRKILXBMOIX-GOSISDBHSA-N 403.552 1.934 30 10 HDEE C=CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760469265 AZVYGMWDQFRDRC-UHFFFAOYSA-N 406.508 1.941 30 10 HDEE CC(C)Cc1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761032125 PXDXOPNUSZXDKS-IJYGLTAASA-N 402.499 1.618 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(C)nn2C)CCOC1 1765879343 GXIAHVGSBBFCSN-MOPGFXCFSA-N 403.462 1.462 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1768635067 YZUODRBHJSFECJ-MSOLQXFVSA-N 410.478 1.543 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)CCNS(=O)(=O)c1c(F)cccc1F 1848589297 CIDKAZUNEXDMON-UHFFFAOYSA-N 406.414 1.879 30 10 HDEE N#CC1CCN(C2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)CC1 1848745419 GOXJAUJKJYVPHO-UHFFFAOYSA-N 416.547 1.967 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)[C@@H]1CCN(C)C1=O 1848930574 BEFMAVPYMAXTFW-WBVHZDCISA-N 411.499 1.374 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 1849292209 BWUDTKQONJYZNX-GOEBONIOSA-N 410.467 1.557 30 10 HDEE C=CCN(C(=O)c1nnn(-c2cc(C)ccc2F)c1COC)[C@@H]1CCN(C)C1=O 1850862048 GYNNHWCISDZVKV-OAHLLOKOSA-N 401.442 1.720 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)CC1 1851410078 YDPPRXKDTDTTLC-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE COc1coc(CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)cc1=O 1852141498 ZOWMWRSNSLBSMS-IBGZPJMESA-N 400.431 1.816 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#Cc3cccnc3)CC2)cc1 1852505609 IGVQPSLABCIGFV-UHFFFAOYSA-N 413.499 1.659 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cccnc2O[C@@H]2CCOC2)CC1 1853184787 PCLDADOKNAQFRU-GOSISDBHSA-N 423.473 1.495 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2=O)cc1 1853631549 FMEOZJJWASYRRQ-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)C(=O)C2)C1 1853741831 RFYFVDAKHNPLCI-UYAOXDASSA-N 410.518 1.279 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3ccc(OC)nc3)CCC2=O)CC1=O 1853998551 YNJZVZXDEOKLSK-ZWKOTPCHSA-N 414.506 1.322 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC[C@@H](Cn4nccn4)C3)CCC2=O)cc1 1854691733 UTNSYZSUNCYEAQ-MOPGFXCFSA-N 406.490 1.941 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)[C@H]3CCCOC3)C2=O)CC1 1854743506 KKEMATKTNZXUAD-RBUKOAKNSA-N 411.506 1.410 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCN(Cc3ccccc3)C[C@]23CCOC3)C1=O 1854804128 JIBXLIDJVGAEEJ-REWPJTCUSA-N 410.518 1.785 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 1854814839 OLZQROWBDHVJMD-FQEVSTJZSA-N 408.502 1.563 30 10 HDEE CC(C)c1oncc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856386589 POQCQKORXCNACT-CQSZACIVSA-N 409.446 1.817 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1856540678 PHHKJIKCFMMACN-AEFFLSMTSA-N 415.515 1.604 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CCS(=O)(=O)C2)CCN1Cc1ccc(C#N)cc1F 1857405946 HKXMSVLPDGEIRY-HNNXBMFYSA-N 407.467 1.081 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1C(=O)O)c1cccc([N+](=O)[O-])c1 1862739439 YHRUGWJRDCBQHG-MRXNPFEDSA-N 412.354 1.864 30 10 HDEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCCN2CCCC2=O)C1=O 1863761268 DUUPXNAWTVPZFQ-UHFFFAOYSA-N 413.474 1.572 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872597324 OYQRLTHEQODYQJ-MRXNPFEDSA-N 401.444 1.725 30 10 HDEE COc1cc2c(/C=N/N=c3[nH]c4ccccc4[nH]c3=O)c(C(=O)O)n(C)c2cc1OC 1873793828 YSZQODPAFOLVIA-LSHDLFTRSA-N 421.413 1.998 30 10 HDEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccccn1 1874261859 WBOLCRHECDYIIX-GZIVZEMBSA-N 404.402 1.990 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3cccc(C)c3)ncnc21 1875228042 WXCRSSFQSVHPGU-UHFFFAOYSA-N 409.490 1.965 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714790 XMGBWNLKSNMOQW-MNOVXSKESA-N 403.526 1.857 30 10 HDEE C#C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1891726885 DIEKGKOKTNYWEQ-MJGOQNOKSA-N 403.504 1.812 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC(COc4cccnc4C#N)C3)ccc21 1891833564 LTXFFFBNQDOFTF-UHFFFAOYSA-N 412.471 1.562 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)C1 1891916440 DDVXWXPPPFVBJG-LSDHHAIUSA-N 401.467 1.975 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 1963348254 RERFYGTVECTZLC-UHFFFAOYSA-N 400.460 1.842 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)CCC1(F)F 2174780122 QJNYIRGDDUEKEL-QWHCGFSZSA-N 408.471 1.701 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)N[C@H](C)S(C)(=O)=O 2203124833 ANLHLDCEXABWNM-NSHDSACASA-N 402.347 1.546 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217439347 IIWBAMGTWUITSA-HZPDHXFCSA-N 419.331 1.845 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCc1ccccc1 2243412922 WGSSQQICIQJVFK-UHFFFAOYSA-N 421.328 1.214 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2247803124 BFHYBOKMYBLMRO-NRFANRHFSA-N 420.315 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@@H](N)C#Cc1ccc(Br)cc1 2264171289 AKBZMQMLGXKYTN-HDMKZQKVSA-N 411.296 1.783 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2282027920 WWBFMNIBZYQIRH-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]([C@H](C)N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312071 QMIQOJSQZVKNOZ-STQMWFEESA-N 400.375 1.714 30 10 HDEE CN1CCC[C@H]1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333715 RVVJSAFOVJWJAL-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CCO)CC(F)(F)F)c2)OC1(C)C 2282334398 AQUWOGFCZSSZHT-UHFFFAOYSA-N 415.264 1.593 30 10 HDEE CN([C@H]1CCC[C@H](N)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337389 LAAYUYIFGPSQOP-STQMWFEESA-N 400.375 1.938 30 10 HDEE C[C@@H](O)C1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282347077 SLZNFDGCHRISTH-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3CSC[C@H]3C2)OC1(C)C 2282490470 HQXLAQPBKXOIKE-TXEJJXNPSA-N 416.399 1.567 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCONC3)c(Cl)c2)OC1(C)C 2282495473 MWYJJTBYZLDOLF-GFCCVEGCSA-N 402.709 1.211 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3C[C@@H]3CO)ccc2Cl)OC1(C)C 2282495796 RDYIKCVSINUJKG-NWDGAFQWSA-N 401.721 1.546 30 10 HDEE C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501279 VHWNJLKFSDEEOR-YPMHNXCESA-N 402.347 1.381 30 10 HDEE CCOC(=O)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503297 XYVNEMBKKYAHTP-UHFFFAOYSA-N 403.693 1.481 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834733 MXCRGZJBASZPFO-UHFFFAOYSA-N 419.761 1.971 30 10 HDEE CCN[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848489 OAMJZDAZIWTXQO-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)N(C)C 2282848942 UQPPWLCHEXQCRW-GFCCVEGCSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CC[C@@H](N)CC2)OC1(C)C 2282867252 WDVNBJLKDHGWKH-BETUJISGSA-N 400.375 1.843 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CC1(C)COC1 2287051705 PLCOGYHLCHLING-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE COc1ccc(OC)c([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)c1 2296145110 RXFBEAVFCIRKOP-SFHVURJKSA-N 417.414 1.727 30 10 HDEE NC(=NO)c1ncn(Cc2ccc(I)c(Br)c2)n1 2325276195 LRBZHNWUTNTFGF-UHFFFAOYSA-N 422.024 1.788 30 10 HDEE COC1(C#CC2(OCC(=O)O)CN(C(=O)OCc3ccccc3)C2)CCOCC1 2338309835 CJGLCSWGUSQRQN-UHFFFAOYSA-N 403.431 1.678 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2339661812 IDXJIWVOARVNJF-KGLIPLIRSA-N 408.501 1.917 30 10 HDEE CN[C@H](C#CC1(OC)CCC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2362705769 UCSYPVOLSJRKPW-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2365212294 QZESGEJSUIOIKU-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2365214184 YEJMWYDQAQJMNX-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 2367786646 IJLNKYUKATYNIF-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(O)C#CC1(S(C)(=O)=O)CCC1 2367790174 VFLXHYLHFVCBRP-MAUKXSAKSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCCOC)NC(=O)OC(C)(C)C 2367805174 ZDUIOCFIADUMHT-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815501 LYFZJKKSIVDOHH-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE CSC1(C#N)CCN(C(=O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)CC1 2379886060 LGIXANYUHDTWEY-UHFFFAOYSA-N 417.553 1.268 30 10 HDEE C[C@H]1C[C@](CN)(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)S1(=O)=O 2380705483 QPBWAIWGHCLRPN-KRXQYRFLSA-N 400.545 1.114 30 10 HDEE CCn1ncc(I)c1NS(=O)(=O)N1CCC[C@H](C#N)C1 2382020371 MWKLYQINKIYEBD-SECBINFHSA-N 409.253 1.400 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)cc1 90743821 KRDXDRLRPBMEKV-KRWDZBQOSA-N 405.454 1.645 30 10 HDEE C/C=C(/C=C(C)/C=C/C=C/C=C(\C)C(=O)[C@]12O[C@@H]1[C@@](O)(CCO)NC2=O)C(=O)OC 107434466 OHWILISHWFHITP-ICGXCJMSSA-N 417.458 1.018 30 10 HDEE COC1=CC(=O)/C(=C2/C=C3NNC(=O)[C@@H]3[C@@H](c3ccc4c(c3)OCO4)C2)C(OC)=C1 136860242 VTJFDXQOHBMFHN-FAFGMYPJSA-N 408.410 1.977 30 10 HDEE N/C(=N/O)[C@@H]1CN(C(=O)c2cc(Br)sc2Br)CCO1 236329872 LIDNJTMCSLZKMB-LURJTMIESA-N 413.091 1.861 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 460800865 UPLYOVJZLQQVKO-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)s1 464680713 CJPDMZMNCBOJBL-UHFFFAOYSA-N 400.460 1.919 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCN(Cc2ccccc2)CC1 479270698 FEMJOYKVUXHEEH-JYAXBFRTSA-N 418.497 1.468 30 10 HDEE Cn1ccnc(N2CCN(C(=O)Nc3ccc(C#N)c(Br)c3)CC2)c1=O 487915487 KYETVCFTSXEDQX-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 488829683 SMAHKSQRGHDZLB-LBPRGKRZSA-N 411.480 1.987 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 498649678 MJUMLCIENYEFIW-AWEZNQCLSA-N 410.459 1.295 30 10 HDEE COCc1nc([C@@H]2COCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)no1 501916869 QPPXGCSXXWBZDU-INIZCTEOSA-N 413.434 1.797 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C(=O)OC)C[C@@H]3C(=O)OC)cc2C1=O 504885120 IUHOPSHOCIDVKB-CZUORRHYSA-N 414.414 1.035 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 508829645 ZKAHNVPDDMWWKY-KRWDZBQOSA-N 400.527 1.879 30 10 HDEE C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509029407 JQDPKXJOMUJQAX-OAHLLOKOSA-N 420.535 1.332 30 10 HDEE C=CCc1ccc(OCC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c(OC)c1 513565766 KUBIREBZCNIAIY-UHFFFAOYSA-N 408.520 1.875 30 10 HDEE Cc1cc(N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)n2ncnc2n1 523343522 GZTPKMWAPUNJGX-UHFFFAOYSA-N 407.503 1.886 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(CC=C)c(OC)c(OC)c2)CC1 524498371 MBQIZQJMNVUKHY-UHFFFAOYSA-N 416.522 1.562 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(CC)n(-c3ccccc3F)n2)CC1 525583944 BGHOOWREONMLRX-UHFFFAOYSA-N 400.458 1.029 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 537497031 IFKPRKWIMFFUCJ-ZDUSSCGKSA-N 417.462 1.958 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@H]3C2)n(Cc2ccccc2)c1C 544523875 KZFMKRVDAXOVPP-HXUWFJFHSA-N 407.518 1.980 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 549739079 DRXSQUAIESJNPJ-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1 561926278 ZIKYQAIPOZFEQR-CZUORRHYSA-N 404.492 1.319 30 10 HDEE COc1cc(F)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 564259296 DYLDOUUWNXNWRD-UHFFFAOYSA-N 406.439 1.620 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 568124733 IGTAGSPVWTZGII-MRXNPFEDSA-N 408.499 1.311 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 571196400 JQAXLAJXUPKDAR-MGPUTAFESA-N 421.519 1.827 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C 603924073 KQWPOKDGFOWNQX-UHFFFAOYSA-N 405.479 1.465 30 10 HDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(F)c1 609233814 ZGUCYHQCDPEVAS-UHFFFAOYSA-N 401.416 1.686 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)N(CC2CC2)C3=O)c(F)c1 609256254 ZILKIBVHJZRUAA-UHFFFAOYSA-N 420.400 1.958 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)nc4ccccc34)CC2)C[C@@H](C)O1 610245712 BLZYATVQHILROA-HZPDHXFCSA-N 415.519 1.582 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC(F)(F)C[C@@H]2CO)c(C#N)cn1CCOC 614932662 NCKUEEUEYWDSSU-GFCCVEGCSA-N 400.382 1.417 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 727879060 NBPSKUUVLSJIMB-KRWDZBQOSA-N 401.463 1.541 30 10 HDEE N#C[C@H](C(=O)CN1CCCC[C@@H]1CN1CCOCC1)c1nc(O)c2ccccc2n1 732210677 CQNPVJVWXDDSCC-SJLPKXTDSA-N 409.490 1.698 30 10 HDEE COc1ccc(OC)c(-n2nnn(CN3CCN(C4CC4)[C@H](C#N)C3)c2=S)c1 732666392 RLRKXLZWOCCUTQ-CQSZACIVSA-N 401.496 1.445 30 10 HDEE C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 732703814 LJSXTKOKFHYMDX-PBHICJAKSA-N 405.524 1.380 30 10 HDEE C=C(COC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 734023273 PQIPILRZOVAJKK-HIFRSBDPSA-N 417.867 1.126 30 10 HDEE CC(C)CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 746036478 ATHJJBFKWOVFMC-HNENSFHCSA-N 414.462 1.693 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 746781290 RRLBXMZOZFWSPS-ZFWWWQNUSA-N 417.491 1.022 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCN(CC(=O)OCC)C3)cc2C1=O 747758938 SOHNCFQHQRDPNA-OAHLLOKOSA-N 400.431 1.653 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@@H](C#N)C1 757898238 NPSAXLUKLJIQKA-JTQLQIEISA-N 402.454 1.790 30 10 HDEE Cc1nccc(N2CCN(CN3C(=O)N[C@@](C)(c4cccc(C#N)c4)C3=O)CC2)n1 758982024 YFGBIXUUILTBJE-NRFANRHFSA-N 405.462 1.203 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)CC1 761806640 RPSOVURBUJSPLJ-FQEVSTJZSA-N 418.501 1.976 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 763939654 BLYPNDUJLCZUJZ-UHFFFAOYSA-N 402.501 1.187 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C1CC1 770772879 BVJXPFWCEAKCPM-OCCSQVGLSA-N 402.455 1.111 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1[N+](=O)[O-] 771181442 PWQPTMXJWOKUTA-UHFFFAOYSA-N 403.439 1.982 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccccc2Cn2cccn2)cc1 780218440 QGIWNIOJJMVJAG-NRFANRHFSA-N 404.426 1.696 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)n1 790105823 COGPSCAKBJGIQO-KRWDZBQOSA-N 416.428 1.823 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 797815508 SNMCBUBWZGPZRI-FVQBIDKESA-N 406.556 1.701 30 10 HDEE CCOC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CCC2 798743280 DWUXKIVPIRRMSV-SNVBAGLBSA-N 417.447 1.620 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H](C(=O)OC)C1 800783119 NGMCSGPOYVMVNR-MRXNPFEDSA-N 415.450 1.269 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1F 801362337 HMIFTXRFPDLKHN-XEXOPBTESA-N 416.409 1.360 30 10 HDEE CCN1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 801668723 NTLGYYKUYKUEBN-UFPHYQGISA-N 407.496 1.242 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)cc1C#N 801693294 DDOJGNSJHJPKMO-UHFFFAOYSA-N 410.473 1.457 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(C)c1OC 806610246 MRGIWLAFHTWGKU-INIZCTEOSA-N 411.483 1.441 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@H]1CC1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 819306462 GMSYNKSYTDGVPQ-GDBMZVCRSA-N 405.520 1.921 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3cccnc3C#N)C2)ccn1 856543316 RRNLHVVXFQMFPJ-QGZVFWFLSA-N 401.492 1.642 30 10 HDEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 1083960314 OOFJJOZANPCUIY-UHFFFAOYSA-N 414.495 1.505 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nncn3CC2)cc1 1125137232 QKBPEJSMLNMVNL-OLIJMITPSA-N 416.507 1.682 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C1 1128703654 NRNZDTIMYLPIKG-QINHECLXSA-N 406.552 1.927 30 10 HDEE CN1CC[C@](Cc2ccccc2)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 1135889427 HVUCHAJXKRWFSU-HSZRJFAPSA-N 403.486 1.693 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1136704386 UUOJWKLGBCCDNC-HOTGVXAUSA-N 405.296 1.684 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(F)c([N+](=O)[O-])cc2NC(C)=O)n1 1139833150 BRGIEJHSIQBXGD-UHFFFAOYSA-N 417.397 1.811 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143652719 PRRKQWLUAXEKPI-RDJZCZTQSA-N 406.504 1.100 30 10 HDEE C=CCCn1cc(C(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)nn1 1144800199 PCMFLALWWYSXDT-UHFFFAOYSA-N 403.508 1.923 30 10 HDEE COCCN1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1147026154 FZFIYHYYMZLHOR-JWRWLIQVSA-N 406.527 1.610 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(c2ccc(F)cn2)CC1)c1cc[nH]n1 1149404330 YYDIBIJAMRUFQO-UHFFFAOYSA-N 403.414 1.634 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cs1 1163856373 CUKMURDHSHFVQE-CYBMUJFWSA-N 422.532 1.545 30 10 HDEE C=C[C@H](C)ONC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1164413646 GLUBMACTZVNNKR-LSDHHAIUSA-N 409.508 1.692 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2O)C(=O)OC)cc1 1167466352 VDMKVFVZYJYZKK-QGZVFWFLSA-N 418.471 1.371 30 10 HDEE CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1177474884 GODVTXPXOYGGFO-HZPDHXFCSA-N 423.491 1.028 30 10 HDEE CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179656952 YJDDEVRYMIWRNZ-NXEZDXNNSA-N 413.540 1.713 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC(=O)N(CCC(F)(F)F)C1 1194417502 FAHKJYHRARDZNG-UHFFFAOYSA-N 406.368 1.737 30 10 HDEE C=CCN(C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1207606202 NXFQUOAROXVXPP-HNNXBMFYSA-N 416.521 1.317 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)ccc2scnc12 1208449666 UNNXOUJLFBKQHB-SNVBAGLBSA-N 404.922 1.761 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1211153908 CPIOMEIAZNJUMA-HDICACEKSA-N 419.551 1.426 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(C)(C)C 1212037179 CGQLWMOTKIIJMA-KSZLIROESA-N 408.520 1.990 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1 1224764227 UNTNBNKVPFBSSQ-MRXNPFEDSA-N 419.341 1.643 30 10 HDEE CC(C)(O)CN1CC[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1226703611 REVFCXLXXOHOSF-ADKAHSJRSA-N 401.511 1.788 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)CC1 1246301410 GBRZHKYLCVKKRA-UHFFFAOYSA-N 410.526 1.390 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc[nH]n1 1255985641 QBVOJIVKDNJWQF-LPHOPBHVSA-N 417.441 1.394 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286320957 KFTRZLUTPFZBRX-UHFFFAOYSA-N 407.482 1.069 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390124 XNRWDOYEPIADPD-HZPDHXFCSA-N 405.524 1.212 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOC1=O 1286411672 ZWLQQSCHCDNFTC-UHFFFAOYSA-N 417.473 1.432 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ncnn1-c1ccccc1 1286412410 ALFQVRHDWUHRGS-SFHVURJKSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1ccnn1 1286419502 ZKSBNOBWCYBXTN-UHFFFAOYSA-N 403.450 1.070 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1286440235 QRKAPDKTOHPDJD-DLBZAZTESA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC1(S(C)(=O)=O)CCCC1 1286459434 PMPOMKMKCZGUIG-UHFFFAOYSA-N 405.524 1.717 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1nnc2n1CCCCC2 1286465854 SQMHSRKIASMJPL-KRWDZBQOSA-N 413.526 1.624 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)C)CC1 1286472852 LYBDGLPXECSITF-SIKLNZKXSA-N 419.570 1.745 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCO2)CC1 1286473129 PCQBIAQMSPYZKY-SIKLNZKXSA-N 417.554 1.643 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286782210 OGAPDFMOXSHYRM-CRAIPNDOSA-N 410.478 1.359 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(N)=O)c1 1286958977 CLORHZXPCYLSMP-OAHLLOKOSA-N 409.494 1.452 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1288999815 SNBBEPRZPULHIT-NVXWUHKLSA-N 412.469 1.651 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(OC(F)F)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1289206807 QLJLOLNHYXDCPH-BONVTDFDSA-N 401.347 1.207 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)CNS(=O)(=O)c2ccccc2N)c1 1293546072 JALZOLNCJORKEY-OAHLLOKOSA-N 402.476 1.544 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1Br 1295048131 PQKHCRZEKZGGEY-WCQYABFASA-N 400.298 1.768 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1297516826 LHMYZEOVHHINRO-NRFANRHFSA-N 408.546 1.182 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1300458924 NSWSGSMBZPBCMY-LJQANCHMSA-N 415.563 1.750 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1300460033 ZHQFKTIQULIUEU-AWEZNQCLSA-N 404.540 1.156 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1300475928 CIXPOFPCCQFNRA-HNNXBMFYSA-N 404.515 1.946 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300505995 LHUAJLVHMLAQBA-OKZBNKHCSA-N 421.567 1.098 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C)c1ccccc1 1300648041 DDTQXFKLTCCZGW-UHFFFAOYSA-N 410.522 1.737 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)F 1300654665 CLEKZDAGCPNMPS-UHFFFAOYSA-N 412.828 1.461 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1301018504 DSFMBFVKGYEPMA-OAHLLOKOSA-N 407.906 1.871 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)CCOCC(F)(F)F 1301037245 RMCHRRCEDSUWRW-LLVKDONJSA-N 411.812 1.359 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 1301511355 UTYLTGBNQANLNP-IERDGZPVSA-N 406.527 1.994 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(CC)CC 1301585870 GDKFIPLIXCCLGS-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cccs1 1301587265 XZKSMEQISZYYIC-HNNXBMFYSA-N 423.564 1.570 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1OCCC1(C)C 1303849490 MPHQLCNDDBEKAQ-KHYOSLBOSA-N 424.571 1.833 30 10 HDEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1304801485 AWLZZBAASQJGBH-LJQANCHMSA-N 401.492 1.177 30 10 HDEE Cc1nc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C2)no1 1308072372 VNMUORNOCUYBSA-PKOBYXMFSA-N 412.469 1.716 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3cccc(C)c3)c2C)CC1 1310914558 CTENKOPNZCFWTK-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE COCC1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1312746390 GPCQOSMWSMAODG-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)CCOC1 1314101559 URDAOPSCGLUMTJ-FQEVSTJZSA-N 406.531 1.248 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1315120249 FALMZPFXDWYBHI-NRFANRHFSA-N 410.478 1.866 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCn2ccnc21 1316098464 TUOOQBCRPPTCRJ-INIZCTEOSA-N 414.514 1.557 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1CCCCO1 1316296730 CHUYSRDWFLYEIA-XSLAGTTESA-N 405.499 1.690 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)C(=O)N(c3ccc(Br)cc3)C2=O)C1 1337637515 ZLEFPRKNJHKUNV-CQSZACIVSA-N 408.252 1.979 30 10 HDEE COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 1350909028 XXRZTLKLJJPLJN-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE CC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)(C)C 1354285489 JTZBRVOKEDKHEX-VULIGXMUSA-N 408.524 1.989 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1358393859 IRDUOOUCNQDYKZ-RDJZCZTQSA-N 404.492 1.377 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1358938686 HVPJXDJEDJFBGC-DNVCBOLYSA-N 405.524 1.256 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1358945253 ZLSKJMSNBJTATB-UHFFFAOYSA-N 408.911 1.608 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(COC(C)(C)C)on1)[C@H]1CCS(=O)(=O)C1 1358957664 YAZJZCCIMADVQA-INIZCTEOSA-N 421.523 1.565 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1359599059 XYVHMGWADPHYSC-SJORKVTESA-N 410.478 1.234 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CCOC[C@@H]2OCC)c1 1434892998 AVDMMXDMKVXVNG-FPOVZHCZSA-N 414.502 1.691 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 1441699827 BXNWQMZUJNVHJR-UHFFFAOYSA-N 417.466 1.680 30 10 HDEE CC(C)(C)OC(=O)N1CCn2nc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2C1 1456443871 QTRJBDAEIKYTBG-UHFFFAOYSA-N 424.461 1.874 30 10 HDEE Cn1nc(C(F)(F)F)cc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1459750566 TUGBQUUFNAFNSR-UHFFFAOYSA-N 413.425 1.817 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 1460544909 RQCFDBDTWKQCFX-AVRDEDQJSA-N 415.490 1.723 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)ccc1Cl 1460742108 IWHXKEZTVJMSBS-HNNXBMFYSA-N 412.943 1.766 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1464590112 YBGQGQSPXVFFMU-DQDDRIPDSA-N 409.202 1.997 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2csc(N(C)C)n2)ccc1F 1464727567 BBOFYZABBGJHEI-UHFFFAOYSA-N 412.512 1.785 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1466604892 UOIVWFFENNSHAD-IRXDYDNUSA-N 404.463 1.514 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](OCCOC)C2)s1 1467443813 YTZQNHPNIFSSJN-CQSZACIVSA-N 402.538 1.409 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)NC(=O)OC(C)(C)C)s1 1467778291 GJUSBRCAUOJJKT-LBPRGKRZSA-N 417.553 1.784 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3CS(N)(=O)=O)n[nH]2)c1C 1470819317 SXVNYDJNVMPBTP-AWEZNQCLSA-N 406.512 1.359 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)CC2)c1 1471182050 NEDZQLRCDNFLFF-IBGZPJMESA-N 409.490 1.929 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3c[nH]nc3I)C2)nc1 1471984535 ZAWLXZXUTQSXDC-NSHDSACASA-N 422.230 1.998 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)no1 1498328613 BYCIXFUFTDTPLG-AWEZNQCLSA-N 420.477 1.672 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1504915060 ZEBIDILFOTYQJX-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCOc2ncccc2F)c1 1505313622 BLPONKHCGNADGB-MRXNPFEDSA-N 421.436 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1507540784 DBDUVMAGSBNWGS-HNNXBMFYSA-N 417.477 1.631 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507581120 MCYUKLNCYUYQJZ-UHFFFAOYSA-N 424.553 1.227 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(CC)CC)no1 1507600627 IDOXZAPBTJBEAK-ZDUSSCGKSA-N 408.528 1.898 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1507602212 YUQWYWKDSNBUHW-AWEZNQCLSA-N 411.441 1.838 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)CC1 1507893286 GOWUOQVADSXUGE-UHFFFAOYSA-N 403.527 1.848 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1508039610 JRJPGKPRZKNYAA-IBGZPJMESA-N 424.498 1.273 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1510295963 UTYACTBZCWUNEC-QGZVFWFLSA-N 415.542 1.472 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)[C@@]3(C#N)CCCOC3)cn2)CC1 1522559742 WDXWJRWDVGDMNY-HXUWFJFHSA-N 416.482 1.793 30 10 HDEE Cn1ncc(Br)c1CC(=O)Nc1c(C#N)nnn1Cc1ccccc1 1531533781 GTCDKGQBLAMUSG-UHFFFAOYSA-N 400.240 1.875 30 10 HDEE N#Cc1ccc(NC(=O)[C@]2(F)CCS(=O)(=O)C2)c(I)c1 1538009478 JEULLWCQVWCARB-LBPRGKRZSA-N 408.192 1.628 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CC(c4cccc(Cl)c4F)=NO3)C[C@H]1CS(=O)(=O)C2 1538766332 VBVYMKJNGSQFMN-RMLVOYDJSA-N 411.842 1.369 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1539006372 XWDSREPPRAOWGG-YOEHRIQHSA-N 409.494 1.829 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539119764 MXWNAOIASQELES-ROUUACIJSA-N 402.543 1.232 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1539134505 VUSIJFHIVSFQHG-OAQYLSRUSA-N 406.534 1.993 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1539215740 HZJBVXJMJGXNKC-OAHLLOKOSA-N 404.496 1.106 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1539392527 SPGDHPFYCNVQNM-UHFFFAOYSA-N 422.468 1.356 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(C)(C)O)cc1 1539396179 LNAAWKMBANZONH-UHFFFAOYSA-N 413.522 1.778 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](CCC)OC)CC1 1539427779 ISXXENICCDLGGQ-KRWDZBQOSA-N 411.510 1.496 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1539496130 CJFKHFKTSYOJKR-CHWSQXEVSA-N 403.599 1.196 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539975012 JOSIBMKOQAVMMZ-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1539981168 DCQNUPVIBDUFBM-HIFRSBDPSA-N 423.543 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@@H](C)C(=O)NC 1540866215 HFSDPMSQZVSCON-GFCCVEGCSA-N 422.892 1.858 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2)C1 1540890318 CQIHFTHGIVZDMA-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(C)CC2)nnc1[C@@]1(OCC)CCOC1 1540908508 IFYWVQMGDIWVIQ-LJQANCHMSA-N 412.556 1.767 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CCn3nnc4ccccc4c3=O)c2C#N)C1 1540917956 HNPNQHSRWOGIAW-UHFFFAOYSA-N 422.470 1.658 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1541945030 ATTUNGMDMGAWNB-GVRJEKJASA-N 408.528 1.053 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 1541988906 BRNXUQVJVNFKAU-OAQYLSRUSA-N 410.526 1.978 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1552709202 IVQMYJPWOUUHJH-UHFFFAOYSA-N 411.510 1.646 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)C1 1554528974 VXEWVKVLAMULSI-GOSISDBHSA-N 424.505 1.978 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC1(O)CCC1 1557069022 XTQMXAFLUJFGHP-MRXNPFEDSA-N 407.536 1.951 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1557218697 ALAUXQYJJCBPCG-QZTJIDSGSA-N 406.504 1.038 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)c1 1557318891 YJOPHKWBWJFACR-OALUTQOASA-N 404.532 1.713 30 10 HDEE CC(C)(C)N1C[C@@H](CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1=O 1557577816 ISMQKROEGBFTAV-CQSZACIVSA-N 406.508 1.255 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CN(C(=O)OCC)C[C@H]3CO)n[nH]2)c1C 1558734110 JLNVWUBRNSAYTJ-YOEHRIQHSA-N 416.482 1.255 30 10 HDEE CN1CCN(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)CC1 1561845494 DONUOSQIOZHZKU-UHFFFAOYSA-N 416.469 1.978 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1565723227 VOWXGIUTNFMXRG-UHFFFAOYSA-N 406.386 1.259 30 10 HDEE C=CC1(CC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1566044755 WAEZAXNCIQEFHL-FQEVSTJZSA-N 420.510 1.636 30 10 HDEE COC(=O)CCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C 1566978719 OCJNUEMUFWQDAT-KRWDZBQOSA-N 421.538 1.733 30 10 HDEE CC(=O)[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1569257481 BLTWTYVUWAVOSP-LJQANCHMSA-N 403.504 1.929 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC(F)F)c(F)c1)c1cc[nH]n1 1569561224 QINLQNRTZJLQBH-UHFFFAOYSA-N 414.340 1.750 30 10 HDEE C#C[C@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1570817094 QBHMIIXKMBOIHC-INIZCTEOSA-N 406.504 1.778 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCc4c(C#N)cccc43)CC2)cn1C 1584286283 DXYAZNQUBKWNBL-UHFFFAOYSA-N 413.503 1.590 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1587626078 GQWVIANJQGRJJZ-RYUDHWBXSA-N 422.415 1.608 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1587646178 UGNFKRVPWYKEDK-AWEZNQCLSA-N 417.460 1.887 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br 1588170396 FXNYHFUKYREQKQ-UHFFFAOYSA-N 414.254 1.965 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589053451 NYOHMKZRSQLGRH-UHFFFAOYSA-N 404.540 1.096 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1595219251 SQFJPCNZGFDVDP-MRXNPFEDSA-N 407.496 1.431 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595544416 HVDLOUJWDONOBR-IAGOWNOFSA-N 412.494 1.875 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)CSc2ccc(C#N)cc2)cn1 1595731483 LKOHFKJXTDMYLS-KRWDZBQOSA-N 404.517 1.772 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC[C@H]1CCOC1 1608474126 NMDIRJZXTFSTTL-UTKZUKDTSA-N 418.542 1.990 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1612748336 BZUKVVBVLJGYPI-QRWLVFNGSA-N 415.519 1.603 30 10 HDEE CC[C@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)OC 1613147307 CKQVCONADCGROO-TXTZMMAHSA-N 407.515 1.792 30 10 HDEE C#CCN(CC#N)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1617396404 CAOYZXQAOAOKPZ-UHFFFAOYSA-N 415.449 1.968 30 10 HDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1624581092 OHRQSOGEOCZQJN-CQSZACIVSA-N 412.309 1.402 30 10 HDEE C=CCC[C@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OCC 1627751306 BKSFFBULOSPQQE-HNNXBMFYSA-N 400.435 1.975 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1C 1628796575 GVWRTZYZCFOHCO-KRWDZBQOSA-N 414.487 1.528 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)NC)cc1 1628924289 MBMOZOJCWBNEEW-QGZVFWFLSA-N 423.535 1.659 30 10 HDEE CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(C)(C)C 1631522808 AZUMSXDPQVIGIB-KRWDZBQOSA-N 406.552 1.694 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](O)c1cccnc1 1631958072 LMRBTDMEEMQOCJ-KBPBESRZSA-N 408.336 1.762 30 10 HDEE N#CCCN1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 1632349359 XGEDPYUWCJCWBI-MNDPQUGUSA-N 403.446 1.989 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OCC 1633297715 ZEYPXYMSNRYQOC-SECBINFHSA-N 401.349 1.340 30 10 HDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H](C)N1C(=O)OC(C)(C)C 1633631053 CGUAMYWRUCQBGO-STQMWFEESA-N 405.455 1.067 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(F)cc3)CCOCC2)cc1 1634564606 DNBHUFCSFBGHNU-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)COc3ccc(C#N)cc3OC)C2)CCC1 1636122590 IWBYOGWGHNCFHS-OAQYLSRUSA-N 402.447 1.642 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 1636469608 QMEMIGZAHHWEOG-OAHLLOKOSA-N 413.430 1.116 30 10 HDEE Cc1cccnc1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1636507289 SDDOEOHAYUKMKF-UHFFFAOYSA-N 400.504 1.958 30 10 HDEE C=CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1638410942 HDRAYTSMMSWAGI-KFWWJZLASA-N 418.581 1.692 30 10 HDEE C[C@@H]1CN(CCO)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1639023071 DITUCQFZRAQVDC-HRXNXTQESA-N 406.527 1.298 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](CO)C[C@@H](OCCOC)C2)CN(C(=O)OC(C)(C)C)C1 1639874206 SCCQKKUTSGJQMM-DLBZAZTESA-N 412.527 1.672 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NCC1(C#N)CCOCC1)=NO2 1640486911 DIMGDLBCGABAIQ-UHFFFAOYSA-N 406.483 1.969 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1642581786 MRBUUOKWOQYYOQ-QWHCGFSZSA-N 409.936 1.563 30 10 HDEE CNC(=O)NC[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 1643861975 YOHRRPDKKVDPTM-KBPBESRZSA-N 419.551 1.703 30 10 HDEE C#CC(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1653278917 FHPMPDUADHXDCU-UHFFFAOYSA-N 417.575 1.742 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2nc1O 1653955250 RBWBOCXHLYMEKI-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE C#C[C@@H]1CCCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1654037227 ZHJHKAZMBFHNIT-RTBURBONSA-N 403.548 1.562 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H](NC2CC2)C(F)(F)F)c1 1654849528 WPYZKKWZMXAMHH-HNNXBMFYSA-N 405.442 1.954 30 10 HDEE C=CCC1(NS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CCOCC1 1655946841 DZTFLXPNEVQSNS-UHFFFAOYSA-N 409.430 1.721 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1662998172 MWTOQQSFDNZSSK-ZDUSSCGKSA-N 418.309 1.987 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1663697337 UDCYKVVLBPBJRZ-UHFFFAOYSA-N 406.533 1.831 30 10 HDEE C=CCN1CCC(NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CC1 1668509663 JPASLZUJTLEFOY-UHFFFAOYSA-N 409.556 1.062 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc4c3OCCCO4)CC2)cn1 1671316474 FGHGQDHGQGZKRS-UHFFFAOYSA-N 400.460 1.625 30 10 HDEE CC1(C)CC[C@H](CNC(=O)NCCn2cnc(C#N)n2)N(C(=O)OC(C)(C)C)C1 1682197400 UJDXAXZOILHTRZ-CQSZACIVSA-N 405.503 1.875 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(-c2cccc(CNC(=O)NCC#CCO)c2)nn1 1683602777 QGXOTIVGHZRTGJ-UHFFFAOYSA-N 414.466 1.087 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC2(CCOCC2)CO1 1684668089 ZGABVIJGLLTWNK-HOTGVXAUSA-N 400.483 1.154 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(F)c3)CCC2)CC1 1685061932 LTWXPIHYJKXIIF-UHFFFAOYSA-N 408.499 1.042 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 1686055026 GIGITSADNCVTOK-GJZGRUSLSA-N 410.515 1.612 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(OC(F)F)c(F)c3)C2)c(=O)nc1O 1686586754 QKFVBUDFBLIUBO-UHFFFAOYSA-N 409.324 1.328 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(F)c1)N(C)C 1689998435 LYRBTRCBVLIEEI-LJQANCHMSA-N 410.497 1.931 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(O)CCN(C(C)C)CC1 1690045070 FUHSHHQSXBEFSE-FQEVSTJZSA-N 413.566 1.870 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690077185 KNDQXYOCROYSNG-RTWAWAEBSA-N 409.534 1.856 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnn(C)n1 1690093789 JUFFQZSCPHOVKY-CQSZACIVSA-N 414.445 1.215 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(N)=O)cc2)CC1 1690143892 GAVZQPVSUFMJGE-UHFFFAOYSA-N 420.517 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCCCO2)CC1 1690146218 IMGVZKRCKOCAKK-RTBURBONSA-N 415.538 1.707 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690225468 ACBRSMLHOHSFPX-ZDUSSCGKSA-N 406.288 1.398 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690316443 FQDTZDLBMNKFHH-LJQANCHMSA-N 405.543 1.945 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)CC1 1690397117 VQKKUZFOTLSPNY-CQSZACIVSA-N 424.571 1.336 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690439817 PPMQIXUHEUWKQO-UHFFFAOYSA-N 404.515 1.938 30 10 HDEE C=CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690496823 ZNVLJDIPDCRMKT-OAQYLSRUSA-N 420.558 1.107 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690524612 OZVTVASKSRTHLI-RBUKOAKNSA-N 410.522 1.466 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1690601817 CDNIMCPWHPCILD-JOCHJYFZSA-N 413.522 1.803 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1697536552 FCOTXPJMFZJNHY-GOEBONIOSA-N 403.508 1.833 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705483699 AEYZRKDPCKYZBL-INIZCTEOSA-N 416.547 1.905 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1705541952 VFBLFWWWRCSLOG-CQSZACIVSA-N 402.524 1.280 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1705560973 PDVPKVBQCRTQCT-QGZVFWFLSA-N 418.567 1.569 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1705602842 DEPKWVUEABDTST-UHFFFAOYSA-N 416.526 1.841 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705635515 ANUZSUDPKYYKDR-HSZRJFAPSA-N 408.550 1.329 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccccc2C2OCCO2)CC1 1705650701 XWBCOCQGZXXRIH-UHFFFAOYSA-N 423.517 1.900 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCNC(=O)C(C)C)CC1 1705763576 YKDZGAUDSQMJGY-HNNXBMFYSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705903278 SAVYFYATKBILCK-JYJNAYRXSA-N 402.499 1.069 30 10 HDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1710190068 HZXUERCCUXCXHA-IBGZPJMESA-N 415.457 1.775 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccn(Cc2ccccc2)n1 1710744825 MNOCNJPUONDHSA-LJQANCHMSA-N 407.478 1.836 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1712616125 UFAIVQGXOXHQAK-RBUKOAKNSA-N 424.505 1.727 30 10 HDEE COCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1712618855 GVNUSXRHKGHCJT-HXUWFJFHSA-N 403.458 1.982 30 10 HDEE C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@H](C)O2 1719938390 PVNNGYZOBPMHGR-UQZKUAJDSA-N 404.507 1.221 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1722344409 IYURQUGYODTWFX-CABCVRRESA-N 403.508 1.524 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369553 ATRUAXJYSJOOLH-ZACQAIPSSA-N 410.540 1.427 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1722383524 UFPIXSFTPNTNJA-QFIPXVFZSA-N 401.474 1.068 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN(C)C(C)C)CC1 1722446007 JARGOOFAJRDZHP-UHFFFAOYSA-N 409.538 1.646 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCSCC#C)CC1 1722448736 YFSXBFWEQOVISS-SFHVURJKSA-N 415.563 1.504 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCCN1CCC[C@@H]1CO 1722465735 AXUOZYHMWLPJQM-XMSQKQJNSA-N 416.570 1.645 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1722538871 ZEHGQYSBPHONQW-UHFFFAOYSA-N 420.558 1.342 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)COCCO2)C1 1722711783 WLHFREZZTOMAKS-QMMLZNLJSA-N 422.526 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722727508 OXRLUHWBJSDWRO-UHFFFAOYSA-N 419.507 1.312 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1722738395 IPWBEKLAGQQNOM-CQSZACIVSA-N 403.574 1.376 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722739935 MLYYMDIYAGMQMA-IBGZPJMESA-N 409.556 1.564 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1722868354 FIMVRMYTIJDPOY-BBRMVZONSA-N 413.457 1.592 30 10 HDEE CCc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cs1 1727459129 AVXCBPAVPZWQKA-UGSOOPFHSA-N 403.487 1.933 30 10 HDEE CCO[C@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1728754400 HPPRPPFZWGKWRX-UAMJFUFUSA-N 416.482 1.055 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1=O 1730787580 ZDMTUJQJJPFYAF-KRWDZBQOSA-N 416.457 1.096 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1740531146 GBCKALQMENEETB-INIZCTEOSA-N 411.510 1.494 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1740550158 HULODJGAPNVODX-AEFFLSMTSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740616766 GOTHACWOTPHEKF-FGTMMUONSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(F)c(F)c1 1740629584 RYVKGXLUTIEDDL-UHFFFAOYSA-N 401.417 1.846 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1740661227 VPWGZDCSUVLYAO-UHFFFAOYSA-N 418.448 1.988 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1740689070 YVPJKAMMCUYJPB-IFMALSPDSA-N 415.538 1.692 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(OCC(N)=O)c2)CC1 1740689804 IJPTXNBOACYOML-KRWDZBQOSA-N 410.522 1.459 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc3c(c2)OCCO3)CC1 1740702938 BKNJQLXPKXVYAK-UHFFFAOYSA-N 409.490 1.566 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1740724802 DGGYMWGIISPRKE-YPAWHYETSA-N 417.554 1.377 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1740889906 SYAGWWZQWWPDCV-ICSRJNTNSA-N 418.586 1.996 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)[C@H]1CCOC1 1740964232 LKQCQJUXGABZQT-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1748639386 GGBHYNCKDWETIR-GDZNZVCISA-N 411.553 1.315 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1748689399 BQHSRLHCWOFULZ-XIRDDKMYSA-N 410.540 1.285 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748729780 ALRLCEWABAUIQG-VXKWHMMOSA-N 415.538 1.981 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1748747529 JNCCQSMUJDBECT-GOSISDBHSA-N 422.537 1.883 30 10 HDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748755454 LVTPLQMSTJNJFO-UHFFFAOYSA-N 414.554 1.998 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748766398 OZSUDQKKZBXNGF-CALCHBBNSA-N 411.510 1.494 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748815421 QHBOLNBLQQWXSJ-SQNIBIBYSA-N 424.567 1.614 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC2CCN(C(=O)OC)CC2)CC1 1748990626 KMAAXBFMUWBTCV-UHFFFAOYSA-N 400.527 1.779 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1noc2c1CCCC2 1749598428 YGQUECYVVPOIHK-OAHLLOKOSA-N 400.483 1.783 30 10 HDEE C=CCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1749645930 HVAYKDQZPOUSOM-FQEVSTJZSA-N 406.531 1.700 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cnccn1 1749676346 NGESJBPVEXUKSQ-UHFFFAOYSA-N 407.478 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1760097714 JARXDCUQUQJWIG-VXGBXAGGSA-N 408.553 1.728 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1760118220 ZTAWUGHKINWZSO-GVDBMIGSSA-N 410.540 1.081 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760184216 HABYQNHPARSTIH-OKZBNKHCSA-N 413.478 1.974 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1760227676 KIEXEJYEFUZQGG-NRFANRHFSA-N 406.527 1.710 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1760259354 KYGAIZCNWVOHNG-INIZCTEOSA-N 417.460 1.894 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760280592 RVJOQJQJJFDEDJ-UHFFFAOYSA-N 411.535 1.550 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1760292778 IBBWSITYKBWUFY-JOCHJYFZSA-N 409.538 1.440 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1CC 1760298829 WPJFCIYYYKICMJ-HXUWFJFHSA-N 424.534 1.921 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(N)=O)CC1 1760407132 VDFQTTRIAZMHLI-ZDUSSCGKSA-N 412.560 1.192 30 10 HDEE C=CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760472293 CXCUPIIAIMZQSA-OAHLLOKOSA-N 402.524 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)OC 1760555291 BNCSYZAAYHBCBJ-UHFFFAOYSA-N 421.527 1.051 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cccn1 1761492098 AESYWBUMCHVWBD-YJBOKZPZSA-N 420.543 1.305 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCN(C)C)C2 1762480325 SQUSCYLMXQPTMI-UHFFFAOYSA-N 421.509 1.315 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cn1 1764934503 AZBBZRADJOAQKJ-SJORKVTESA-N 424.509 1.247 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1766386006 JBAMLNKMHAUFGT-NRFANRHFSA-N 418.542 1.927 30 10 HDEE COC[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1)OC 1770751444 HNNCPMQLHRWCET-SFHVURJKSA-N 412.494 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)Cc3ccccc3CC#N)CC2=O)C1 1774180832 GPXOITHCPGRBLW-QGZVFWFLSA-N 412.490 1.632 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1 1849702903 CFGNOTGKHVRJAS-OAHLLOKOSA-N 420.473 1.447 30 10 HDEE Cc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1cccc(C(F)(F)F)c1 1850692649 WCFRUPNCLQHBCH-UHFFFAOYSA-N 407.396 1.660 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CCNC(=O)c2cn3cc(C#N)cc(Cl)c3n2)C1 1851688213 UXADPHHAZXWKED-CQSZACIVSA-N 403.870 1.864 30 10 HDEE C[C@@H](C(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F)n1nc(C2CC2)ccc1=O 1852079534 XXVDJBTXAMBLQA-JTQLQIEISA-N 420.413 1.942 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(Cc4ccccc4F)C3)CO2)nc1 1852469251 YXXNOCBODCFJOG-IRXDYDNUSA-N 410.405 1.804 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2c(OC)nc(C)c(Br)c2C)NC1=O 1852993173 JJDIZNGKCJAKFE-UHFFFAOYSA-N 409.240 1.404 30 10 HDEE Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)n1 1853247802 PRCNXNNJWSWBCL-UHFFFAOYSA-N 404.478 1.572 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@H]4CCCCO4)C(=O)C3)C2)cc1 1854166939 BDMHJQIGXJYTNI-NHCUHLMSSA-N 410.518 1.763 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](N(C)CCC#N)C1=O)n1nc(-c2ccccc2)ccc1=O 1854270310 XESIUWXHZKYQDY-APWZRJJASA-N 407.474 1.834 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1 1854379971 IXMHZGZEWGCTIB-QGZVFWFLSA-N 402.428 1.657 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3C2)C(=O)C12CCCC2 1854400902 FCTZEVXQFJQXAJ-GOSISDBHSA-N 415.515 1.628 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)CC3CC(=O)C3)C2=O)CC1 1854745878 GHBTWCYYVGVCOI-IBGZPJMESA-N 409.490 1.352 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccnc4nccnc34)C(=O)C2)C1 1855045212 CLQJFTXMXLAXAI-JKSUJKDBSA-N 407.478 1.076 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855394738 YXAJNYWUHNXBHV-ZWKOTPCHSA-N 416.522 1.998 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(-n3cnnn3)cc2)CCN1Cc1ccc(C#N)cc1 1855636602 QXJPYPKVJMRSMG-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)cc1 1855639538 ZSNGNTVQCONHSU-FOIQADDNSA-N 403.438 1.899 30 10 HDEE CN(C)c1nccc2c1CCCN2C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1855686359 QVKYZPNZBXQBBY-OAHLLOKOSA-N 404.474 1.856 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)cc1 1856331592 XUJUDIOGFVAKFE-QGZVFWFLSA-N 415.515 1.448 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1=O 1856389045 KKPYTVSDNMUZCH-KRWDZBQOSA-N 409.483 1.743 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)C(=O)C1(C)C 1856767291 DIQZVZJKMLARAY-HNNXBMFYSA-N 411.466 1.183 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc3n(n2)CCCC3)C1)[C@H]1CCN(C)C1=O 1857076574 KXLOVZFQTVDOJV-APWZRJJASA-N 413.522 1.317 30 10 HDEE CN1CC2(CCN(C[C@@H]3CCC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)CC1=O 1857223363 HELSVGDLMCJLAA-SFHVURJKSA-N 408.502 1.881 30 10 HDEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870348747 KTMLIFQWGVMOLV-UHFFFAOYSA-N 424.501 1.643 30 10 HDEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN(CC)CCO 1870617447 NNQQEKCIUGPVIV-UHFFFAOYSA-N 400.475 1.971 30 10 HDEE C#CCOc1cn(CCNC(C)=O)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871010054 BLTAKSPQAIYTAQ-UHFFFAOYSA-N 414.418 1.525 30 10 HDEE COc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(S)nnc(CCC(=O)O)c3=O)c2c1 1873498246 YFTYARNGQCLTJO-CNHKJKLMSA-N 417.403 1.015 30 10 HDEE Cc1cc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)nc(N2CCOCC2)n1 1889492193 SGIJFNHWXMXGKN-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N[C@H](CC#N)C(F)(F)F 1965048571 IXRPZOMHHJSCDM-WDEREUQCSA-N 413.418 1.371 30 10 HDEE NCC#Cc1cnc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)s1 2029309639 HWZWYMITCWCDOY-UHFFFAOYSA-N 418.500 1.271 30 10 HDEE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174779500 JYLWJDHCCPTPCZ-WHDAMIPWSA-N 420.557 1.574 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2188397376 ZTPBRZVSIBCZNE-HUUCEWRRSA-N 400.541 1.965 30 10 HDEE NC(=NO)c1ccc([C@@H](O)CNC[C@H]2CC2(Br)Br)cc1 2233038449 GVZMNECUGVRAPS-MNOVXSKESA-N 407.106 1.910 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H](O)C3)cc2Cl)OC1(C)C 2267357510 AVWYNILCIACMCP-JTQLQIEISA-N 407.750 1.846 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](N)C(F)(F)F)OC1(C)C 2267419021 NAXPSURIYQUTAH-JTQLQIEISA-N 400.253 1.215 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282017712 NUCKJHOBNNIRJH-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CCn1cc(C(=O)NC[C@@H](C)CC2(C)OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282039196 RJLPOGNEJYSLJJ-AWEZNQCLSA-N 407.320 1.721 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NCC[C@@H]2CCCS2(=O)=O)OC1(C)C 2282061986 RRJZACYUQXMVNR-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2282186083 PMNQMMLGBYNHJV-UHFFFAOYSA-N 401.272 1.145 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@](C)(CO)C1CC1 2282314202 VZXHMUAORDAWKN-KRWDZBQOSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)N[C@H](C)C1 2282317525 SJIIUSPSYKGRPN-VXGBXAGGSA-N 400.375 1.727 30 10 HDEE C[C@H]1C[C@H](O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332765 GMUDOIWPQRBOTM-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CC[C@H]1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282336807 HETYXPCSRCGRSR-STQMWFEESA-N 400.375 1.856 30 10 HDEE COC[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282341202 PBACNCDCQIEGKQ-LBPRGKRZSA-N 405.347 1.377 30 10 HDEE COC(=O)[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282341544 UECRPXVHFOXIHX-NSHDSACASA-N 401.315 1.231 30 10 HDEE CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344426 LCIWEIAMIFIZJQ-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282419867 SGDRKFBGRAYDMB-LBPRGKRZSA-N 402.347 1.226 30 10 HDEE COC[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837561 VRDWRUAEQDVXJT-NEPJUHHUSA-N 402.347 1.144 30 10 HDEE CO[C@H]1C[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282843852 SXWOILOBWOGMDU-RISCZKNCSA-N 401.721 1.952 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCN(C)CC2)c1B1OC(C)(C)C(C)(C)O1 2282866772 OYABLGFKKPKZEX-UHFFFAOYSA-N 400.375 1.600 30 10 HDEE CC1(C)[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869922 KETKPJQUCJDZEX-ZDUSSCGKSA-N 401.359 1.722 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@@H]3C(=O)O)c2)OC1(C)C 2284398547 ZFRHYJYJLKBPON-RYUDHWBXSA-N 401.315 1.579 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](C(=O)O)C1 2284408924 CGOIILQQPJYMOQ-XYPYZODXSA-N 401.315 1.497 30 10 HDEE CC1(C(=O)O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2284409034 DRXRMSLTCBJXOD-UHFFFAOYSA-N 401.315 1.284 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288911645 LXBZGSRVIDLPQB-OLZOCXBDSA-N 402.347 1.117 30 10 HDEE Cn1nc(Br)c([C@@H](O)[C@H](N)C#Cc2ccc(Br)cc2)n1 2296278423 DHMXTBDDIIZGGW-PWSUYJOCSA-N 400.074 1.753 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)C2(O)CCC(NC(=O)OCc3ccccc3)CC2)CC1 2342062486 YSAVUSFTBZLQBK-IDYZSHNDSA-N 420.531 1.494 30 10 HDEE C=CC[C@@H](NC(=O)NCc1c(Br)c(Br)nn1C)C(=O)O 2364443929 RMTXOIRWIWKLLH-ZCFIWIBFSA-N 410.066 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365175591 IPXCKNSUSUOEMV-JONQDZQNSA-N 401.525 1.588 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367794165 GIAQPXSNWHCZCY-HUUCEWRRSA-N 414.549 1.911 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813841 HFBANHYVKHLRTE-HDMKZQKVSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CNC(=O)OC(C)(C)C)C(C)(C)C 2367815839 IDVPJPBTKCRUOA-AUUYWEPGSA-N 402.557 1.457 30 10 HDEE Cc1ccc(I)c([C@@H](C#CC2(S(C)(=O)=O)CC2)NN)c1 2367836120 HOLIBQSLFXPRHR-CYBMUJFWSA-N 404.273 1.685 30 10 HDEE C/C(Cl)=C/Cn1c(N/N=C/c2cccc(O)c2)nc2c1c(=O)n(C)c(=O)n2C 6157472 DDCSJKFZDVSXIK-KBNINJOHSA-N 402.842 1.728 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCC(F)(F)F)CC3)cc2C1=O 30481665 JCZXDJCJEHDGNA-UHFFFAOYSA-N 423.391 1.999 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccccc3O)n2)o1 59878678 BNKULSFVGVSZSA-FBCYGCLPSA-N 416.467 1.871 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCn2nc(O)c3ccccc3c2=O)CC1 96991941 KSSCNXXKMZJCAW-UHFFFAOYSA-N 404.430 1.108 30 10 HDEE C#CCNC[C@@H](C)n1cnc(I)c1I 379498151 DATKAWWENVHXEV-SSDOTTSWSA-N 415.016 1.876 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)c(C#N)c3)cc2)CC1 430886598 BPMYISVIGGDWJJ-UHFFFAOYSA-N 402.451 1.886 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1=O 439515484 DHCCLXURLSBFSM-HNNXBMFYSA-N 410.471 1.616 30 10 HDEE N#CC1CCC(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 441684257 DYPJXANYLZJEDN-UHFFFAOYSA-N 421.519 1.962 30 10 HDEE C[C@H]1CN(c2ccnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2)C[C@H](C)O1 445257532 ZCHMSNSUZBSREK-IRXDYDNUSA-N 406.490 1.924 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 460682054 ZKBDKWJJXAOSSY-QGZVFWFLSA-N 403.435 1.682 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 460811739 VSXCHUCIIGQQRP-SFHVURJKSA-N 417.535 1.750 30 10 HDEE COc1cc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1C#N 462477934 AOCIPLMISNEDJR-HXUWFJFHSA-N 422.485 1.836 30 10 HDEE C[C@H]1CCCN1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 472584585 VIWLJAMKTPKLCD-ZDUSSCGKSA-N 406.487 1.717 30 10 HDEE CS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C#N)cc1F)CCO2 480687387 GSKVXHLKGDHKBA-UHFFFAOYSA-N 410.448 1.830 30 10 HDEE C[C@@]1(c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cc2)NC(=O)NC1=O 481061915 RVAKGVRJGMDCQU-IBGZPJMESA-N 416.434 1.372 30 10 HDEE CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482498517 KISZEZBRQKOAGC-CYBMUJFWSA-N 400.460 1.846 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 483481556 YDXYRXGXDABHOD-ZBFHGGJFSA-N 414.491 1.953 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 494181652 DGVGDPDROMJKMF-OLZOCXBDSA-N 413.396 1.812 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cnn2C)c1=O 505666639 UJYGPJHDDFAEHT-UHFFFAOYSA-N 421.526 1.277 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 508890912 ZOVOHMSRUSVJID-KRWDZBQOSA-N 401.442 1.654 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 508930616 FRGCPSRHBDCMPG-UHFFFAOYSA-N 412.538 1.732 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1=CCN(C)CC1 511230001 DQFJIUXJKGJMDR-MRXNPFEDSA-N 417.535 1.225 30 10 HDEE CCc1c(C(=O)N(CCOC)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513944588 PFYIFHRFNGYXRZ-UHFFFAOYSA-N 421.457 1.359 30 10 HDEE N#Cc1ccncc1N1CCN(c2ncc(C(=O)N3CCOCC3)cc2Cl)CC1 515272420 YAQKHDZFUAUOGM-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C)cc1 523815446 GPPGOAMOIJNEEA-DENIHFKCSA-N 419.485 1.830 30 10 HDEE C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 532739006 MZJWMOOQNVTCFJ-WMZOPIPTSA-N 407.474 1.420 30 10 HDEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@@H](C)O 533281101 KCBVWBYMCYNNGG-OAHLLOKOSA-N 401.467 1.546 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1ccc(C2(C#N)CC2)cc1 540823409 MBKCJZNPIARYOR-UHFFFAOYSA-N 413.499 1.785 30 10 HDEE COc1cc(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 546178746 JUQPQPLALONHAE-UHFFFAOYSA-N 402.476 1.790 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C#N)ccn4)CC3)n2)cc1 550150690 WFRVVDDCDWNHHB-UHFFFAOYSA-N 404.430 1.970 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCCCO2)CC1 555502119 NVUPTXDDOSLOIA-IBGZPJMESA-N 418.586 1.860 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCO2)CC1 559113794 WMIUNIKUNKBWGK-IBGZPJMESA-N 416.570 1.614 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 585356198 ZDNKFAMVHUWMIG-UHFFFAOYSA-N 403.420 1.925 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 673848707 YTCMPBBCAQKTJI-SFHVURJKSA-N 410.474 1.947 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)C1=O 725773804 NGIDWUHPLVMEIY-IERDGZPVSA-N 422.445 1.617 30 10 HDEE COCCCNC(=O)[C@@H](C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727628597 VDWGQFWZMJONQJ-IBGZPJMESA-N 414.506 1.812 30 10 HDEE C#CCN(CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 731213835 VEIXIUCATKQZBH-OAHLLOKOSA-N 418.437 1.366 30 10 HDEE N#C[C@@H](C(=O)/C=C/c1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 732911223 YBUGPAFYJFYVNQ-VEPLAOFISA-N 401.238 1.021 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2C)cc1C#N 747499075 VHLHYDDYCRCADQ-UHFFFAOYSA-N 415.471 1.675 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)CC1 747733624 XLAWSFUYASNJGL-UHFFFAOYSA-N 400.498 1.569 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@H](C)Oc3ccccc3C#N)cn2)c1 749002919 LQAAELRMVHFUJY-AWEZNQCLSA-N 411.443 1.720 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1cc(Cl)ccc1OCC#N 756755954 OQVJRMYDZBKKGF-LLVKDONJSA-N 412.855 1.386 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 763783204 QIEYSMMAYIUFCP-SJLPKXTDSA-N 418.471 1.156 30 10 HDEE COC(=O)C(C)(C)[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 766983937 VEVPCJXPYRCGBC-HVESIFNPSA-N 414.462 1.753 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767874026 WGTLTGSPVSYPFY-ZDUSSCGKSA-N 403.529 1.664 30 10 HDEE C#CCN(C(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 772122681 YGGNWIHOXGFGEP-HUUCEWRRSA-N 416.565 1.378 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(=O)c1ccccc1 772450869 BHLMCKYINBBYLV-QGZVFWFLSA-N 417.508 1.729 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 774253259 SKXDDFCMRKEOGH-MJGOQNOKSA-N 420.531 1.742 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCn2ccnn2)C1=O 784125282 HGJXIJHNFMOWNF-OAHLLOKOSA-N 416.463 1.165 30 10 HDEE Cc1cc(C)c(N2CC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)c(C)c1 789895154 QSKFCYCIQRECPZ-BSBNDGSWSA-N 410.474 1.750 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 790104453 BJIKKUSUBSAHBL-PZJWPPBQSA-N 412.465 1.850 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CCCN1C(=O)OC(C)(C)C 790741310 GHXNXGGWVCNKNT-HNAYVOBHSA-N 415.556 1.872 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@H](S(=O)(=O)NCC)C2)CCCN1C(=O)OC(C)(C)C 790847505 XJRYBBZYICRNCO-KXBFYZLASA-N 415.556 1.872 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)C[C@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 791853781 TYBWMXDBASQQKH-KBXCAEBGSA-N 402.513 1.815 30 10 HDEE COC(=O)c1ccc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nc1 793388247 JFEFEVPFOCRRBP-KRWDZBQOSA-N 422.397 1.688 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 798019716 HOGRRRJEKPGEPI-KGLIPLIRSA-N 421.425 1.999 30 10 HDEE CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)C2)ncn1 806269127 FKQSCHUIZFLTTR-GOSISDBHSA-N 422.489 1.321 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCn2nc(C)nc2C1 809926129 HYPFTEDGDKAEFB-UHFFFAOYSA-N 408.466 1.811 30 10 HDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)cc1 812748634 RAJMSHKSLNNYLD-LJQANCHMSA-N 417.462 1.943 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc(Cn4ccccc4=O)no3)C2=O)cc1 1119495809 ARFDOTSMSYYAOR-HNNXBMFYSA-N 404.386 1.209 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1 1125186865 DIXUGFAWXIIOSR-UHFFFAOYSA-N 413.499 1.937 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 1125207153 WTBCCWTWRFABND-GOSISDBHSA-N 407.898 1.861 30 10 HDEE COC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCSC1 1127829485 FHXDPKSPQOZLDJ-XIKOKIGWSA-N 407.879 1.729 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@]34CCCC[C@@H]3NC(=O)C4)CC2=O)cc1Cl 1134949322 CLDDUFAITRCAQQ-JOTOCRJQSA-N 400.866 1.882 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCNc2ccc(C#N)cn2)CCS(=O)(=O)CC1 1136174468 PERXHMCGCSKYDJ-UHFFFAOYSA-N 422.507 1.018 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2[C@@H](NC(=O)OCc3ccccc3)[C@H]3C=C[C@H]2C3)CC1 1137371531 QLMPOROCTSXUGL-QIJZPMMNSA-N 422.485 1.688 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1139490444 TURATKFYPNELPG-VLIAUNLRSA-N 414.499 1.387 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CCC2)CC1 1140133189 VTCQVBBVGUALNX-UHFFFAOYSA-N 423.435 1.901 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1142636555 BSPLMXQRULSFTC-UHFFFAOYSA-N 401.448 1.132 30 10 HDEE CO[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCOC1 1146950582 MIGOQZNHDIFXMF-SJCJKPOMSA-N 408.296 1.925 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)COC1 1153867183 ZIAVICJBRNLSBQ-KBPBESRZSA-N 424.498 1.545 30 10 HDEE C#CC[C@]1(C(=O)NCc2ccc(S(C)(=O)=O)nc2)CCCN1C(=O)OC(C)(C)C 1154913300 MOXPIYLGCUEZNC-HXUWFJFHSA-N 421.519 1.894 30 10 HDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCN(C)CC1 1178738952 CFWDTUPHHICBQH-UHFFFAOYSA-N 414.325 1.266 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cccc(C#N)c2[N+](=O)[O-])CC1 1184672724 DCNGVRWBRQXTSN-UHFFFAOYSA-N 405.436 1.972 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)[C@H]1CCCO1 1189428506 ARYWIOYXWYUKOG-WJFTUGDTSA-N 422.503 1.123 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)cc1 1211427369 AIEIVFAGKDMVQZ-UHFFFAOYSA-N 419.528 1.550 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@@H](CN3CCCC3=O)C2)c1 1213175884 HSSIDYKBLBIQHA-LBPRGKRZSA-N 412.309 1.954 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@](C)(COCc2ccccc2)OC)CC1 1230817925 TXOQAXKQQZEBMF-QFIPXVFZSA-N 401.507 1.779 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)NCCS(=O)(=O)C2CCOCC2)CC1 1251238223 HYBHZBYRKNDQPS-UHFFFAOYSA-N 406.508 1.242 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1286296226 NEXLZTGUEOJVKR-IRXDYDNUSA-N 401.536 1.775 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1286408214 AKLZSMYVMRJHIL-LJQANCHMSA-N 406.490 1.135 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1286410707 HSTGOARJHYUOHI-UHFFFAOYSA-N 419.577 1.610 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1286437711 KQSPNPYWBXXDTO-QGZVFWFLSA-N 418.519 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2ncn(C)n2)CC1 1286475179 YMRUKGSFGZHWAR-UHFFFAOYSA-N 414.876 1.670 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCc2noc(CC)n2)CC1 1286481296 CNJSONUMASBURQ-UHFFFAOYSA-N 423.496 1.951 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2CCCO[C@H](C)C2)CC1 1286483673 TWLVFXRUFSZFJX-LJQANCHMSA-N 400.571 1.487 30 10 HDEE C=C(C)COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOCC1 1286606067 FSSXYHBFCQTVMS-UHFFFAOYSA-N 410.478 1.621 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1286727495 RKILEPOEAHCZNR-CQSZACIVSA-N 418.502 1.386 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1286789122 AYZRTLUKHWCDLE-UHFFFAOYSA-N 422.533 1.885 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286828781 QSYHHQXMVUTSDR-QGZVFWFLSA-N 417.583 1.756 30 10 HDEE Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@@H](C)CC#N)n[nH]1 1290460526 DNYITNIMUXBRCU-LBPRGKRZSA-N 413.511 1.677 30 10 HDEE CN1CCN(C(=O)N2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)CC1 1293003646 GFMIUOVCWKMZQO-UHFFFAOYSA-N 413.522 1.619 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCOC2=O)CC1 1293136189 DHOMBZNTHBUOGZ-OAHLLOKOSA-N 407.268 1.610 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1294637067 BGEIJHFQWPCUHT-RDJZCZTQSA-N 423.587 1.360 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCC(=O)OC)[C@H](C)C3)n[nH]2)c1C 1295738190 FEMAJOITPPXTGU-CQSZACIVSA-N 414.510 1.785 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1296946641 HXYMSNJAFGGPMK-UHFFFAOYSA-N 407.511 1.127 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1300381791 IRDNWAYYNOCLAS-UHFFFAOYSA-N 416.526 1.842 30 10 HDEE C#CCCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424666 KPJLKNXDFOOKCU-GHTZIAJQSA-N 403.527 1.837 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300489268 KZMZOGVGQFJLEO-GOSISDBHSA-N 402.520 1.734 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1300504347 MKXHWDIBDGIRBF-MSOLQXFVSA-N 424.567 1.791 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)CC1 1301065573 GJVIMXOZUMDLHK-CYBMUJFWSA-N 413.935 1.595 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCCS2(=O)=O)CC1 1301065856 KKNQPERJNDQYOG-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301509736 MRVSUKAYBNVQDG-KRWDZBQOSA-N 423.525 1.169 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1302444362 RNECOYZMDTUMSB-YWZLYKJASA-N 401.515 1.522 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CCCn2cnnn2)C1 1302982446 KHCQWSBOYSRTTH-LJQANCHMSA-N 411.445 1.418 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1303026922 UQKBETBENNXGGW-UHFFFAOYSA-N 415.515 1.224 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1304876410 FVCGHAONGKIRAN-CZUORRHYSA-N 413.482 1.538 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)C2=O)cc1 1306824910 VZHZKHWVIUMQNA-CEXWTWQISA-N 413.474 1.871 30 10 HDEE C=CCOC[C@H](N[C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1308721595 DJFSSBQJKZJEHZ-NZSAHSFTSA-N 406.479 1.746 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 1309661948 PFOMDGCSZHWYDY-BFUOFWGJSA-N 407.492 1.727 30 10 HDEE CCOC(=O)c1csc(N2CCN(C(=O)NCc3ccc(C#N)cn3)CC2)n1 1312809643 FRMAOAJUMPVGOW-UHFFFAOYSA-N 400.464 1.618 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1358912987 CNEHVPDDQWJGMK-INIZCTEOSA-N 409.556 1.793 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358961487 ZZJLAFCTUJTYDR-CQSZACIVSA-N 400.464 1.245 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1359056590 HVWKHEZBMNLELO-CQSZACIVSA-N 403.474 1.833 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359121669 BHJBYSGQNJOMTM-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359134259 QHWIQRIAEQFBNI-GOSISDBHSA-N 417.485 1.552 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359329574 NPQQECDGSZUHOW-HZPDHXFCSA-N 418.475 1.660 30 10 HDEE C#CCN(C(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C)[C@H]1CCS(=O)(=O)C1 1360054258 GXOBERADUGZQNL-OLZOCXBDSA-N 404.410 1.982 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 1443534832 HSZXPNVIFBUEEV-XCHVRBFASA-N 420.263 1.958 30 10 HDEE NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 1445488276 YGEUTILXXKDDED-VEGGFIAOSA-N 411.433 1.127 30 10 HDEE COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@H]2CCCN(O)C2=O)cc1OC 1450276576 ZZDIEJRPQRKAEG-LBPRGKRZSA-N 403.391 1.659 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)C(=O)NC(C)C 1451454059 AVGPPPXPHWQLSR-HIFRSBDPSA-N 408.524 1.169 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1454853781 AFFBAUWXHZTVIK-JYPZYLNESA-N 421.494 1.468 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 1455643239 ZOBUSPNRTZUADA-ICSRJNTNSA-N 419.547 1.219 30 10 HDEE CCN1CCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1456158029 RBHRDHLYCVLMLX-DOTOQJQBSA-N 406.552 1.740 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC(CO)(NCC4CC4)CC3)C2)c(F)c1 1457900064 AZKORQFQMUZESN-GOSISDBHSA-N 400.498 1.877 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCOCC1 1459881099 IWTUGXWFWIHMSQ-RTBURBONSA-N 420.941 1.555 30 10 HDEE COC(C)(C)[C@@H](C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1460833059 QVZQXGXXEGWKGB-CQSZACIVSA-N 401.467 1.858 30 10 HDEE C=CCn1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)nn1 1461056985 HKJACGVPEQKRBS-HNNXBMFYSA-N 402.842 1.639 30 10 HDEE N#CCCN(C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 1464851519 ACDIMSAQKKUPOR-UHFFFAOYSA-N 406.395 1.959 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1471698611 OBOAGNIMFGIOLD-DUQPFJRNSA-N 424.563 1.965 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1CS(N)(=O)=O 1473841017 SORSUDNVIHLVMF-OLZOCXBDSA-N 410.565 1.684 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCOC2(CCS(=O)(=O)CC2)C1 1473890795 NMFQZPXNNSASKK-CYBMUJFWSA-N 423.560 1.715 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1475545924 DOGBAKIGPMECFM-JTQLQIEISA-N 408.245 1.691 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1477916145 UDWDUDIYIZHKFS-MRXNPFEDSA-N 400.456 1.733 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1504748610 GZZOYNPIJYFHQH-WIYYLYMNSA-N 415.494 1.456 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOCC2CC2)cc1 1505319710 ICHUUTBXVXEHOK-UHFFFAOYSA-N 410.478 1.482 30 10 HDEE C#CCN(C(=O)COC1CCCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1506345174 QYXMMATVPVEEPX-JRHPMUGDSA-N 400.519 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CCCO 1507517304 GNUFMLOCIASHDW-JQVVWYNYSA-N 419.570 1.623 30 10 HDEE C#CCCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1507564094 MSBFDNNQPSYKFK-GOSISDBHSA-N 416.503 1.829 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1C 1507564577 SLLDQURAOGKFBL-ZACQAIPSSA-N 409.556 1.649 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507589375 WIZNDTSLGXTUFO-QGZVFWFLSA-N 421.567 1.288 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1507668883 DZXOTATZABGOSG-OAHLLOKOSA-N 403.533 1.456 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCNS(C)(=O)=O 1507670768 UZAXAORWRMZAMV-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1507687075 IUHJLDJMIIMXRZ-UHFFFAOYSA-N 401.272 1.739 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1507695562 ZGUCVYGEWAAGPS-KRWDZBQOSA-N 419.489 1.729 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1508218651 BNRMMTPGYHJKOE-JOCHJYFZSA-N 421.505 1.354 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(NC(N)=O)cc1 1511887263 NXUYQYOZAYRMQQ-UHFFFAOYSA-N 417.477 1.719 30 10 HDEE CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1513465274 GYKSMFJFNAYWNS-QGZVFWFLSA-N 419.493 1.753 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1519399488 UNVQXIKAYJAFNF-IBGZPJMESA-N 422.493 1.913 30 10 HDEE CC(C)[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)S(=O)(=O)C1CCCCC1 1523978802 AUDILRMURGETBW-MRXNPFEDSA-N 423.539 1.829 30 10 HDEE C#C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 1530132419 BNCVYMIRNGTCCP-QGZVFWFLSA-N 405.497 1.609 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)OCC 1535091303 ODLMRUUGQOBWCL-MGPUTAFESA-N 419.865 1.570 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1538970222 BAJSREJPIGMIMW-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC([C@H]4COC(=O)N4)CC3)CC2=O)cc1Cl 1539027418 SJSSOIQUKUVPGT-WMLDXEAASA-N 416.865 1.912 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1 1539295500 BJZXDWUILKULKU-GOSISDBHSA-N 413.547 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NC(C)C 1539301809 WVPDZGKHFIMDBK-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](CC(=O)OCC)c3ccccc32)C1=O 1539410819 IVBJXFVSSMHJDM-CQSZACIVSA-N 413.430 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[S@@](=O)CC)CC1 1539444443 OHSBDDIHFRRCFH-NDEPHWFRSA-N 401.536 1.478 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1539517491 OXOLYMKHIPNIOD-GJZGRUSLSA-N 412.581 1.408 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1539578951 FZACRJZDFDCPMK-WDEREUQCSA-N 408.322 1.022 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539978030 WDZNJQQMZMRRGK-UHFFFAOYSA-N 424.571 1.246 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS[C@H](C)C1 1540874271 ADIYPXLTCAYZRF-OAHLLOKOSA-N 412.519 1.973 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@@H](C)C2)C1 1540893116 XLFJKGGRSVPVAV-WNRNVDISSA-N 424.567 1.777 30 10 HDEE C[C@H]1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1543680310 GVZOUMLNDIYBPE-YYIAUSFCSA-N 402.499 1.333 30 10 HDEE COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1545755687 QLAPOLLNEBWYDK-OAHLLOKOSA-N 400.428 1.162 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@H]1C 1547637750 ARFBROMBLQRALC-CVEARBPZSA-N 405.510 1.912 30 10 HDEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1ncn(C)n1 1548133644 FJCZLOHOGGPJCB-UHFFFAOYSA-N 422.493 1.911 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C)C(=O)OC 1556375774 RZEJFMBVYFYZOX-BIENJYKASA-N 400.472 1.261 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@@H]2O)cc1 1556430639 GPEWTLDPFIYSJY-QRVBRYPASA-N 405.520 1.769 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](CO)c2cccc(Cl)c2Cl)C1=O 1557389461 FRPZZJDLKRDJNT-LBPRGKRZSA-N 414.245 1.462 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(I)c2)C1 1561913243 OBLNBIPZHCULPB-ZDUSSCGKSA-N 404.273 1.667 30 10 HDEE CN1CCC(N2CC[C@@H](NC(=O)N3CCN(c4ccsc4C#N)CC3)C2)CC1 1564076828 HUJJUAKMKJKDFD-MRXNPFEDSA-N 402.568 1.620 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(Br)sc2Cl)CC1 1565590133 OEDRKGAQXROKSD-UHFFFAOYSA-N 419.732 1.456 30 10 HDEE Cc1n[nH]c(C)c1CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1569048655 CNAVSKZXOUNHRA-UHFFFAOYSA-N 417.535 1.984 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C2 1583060424 CBTKOZZLEPKXHV-SFHVURJKSA-N 411.483 1.476 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1583907218 CQRQUSVOKKNNLF-KRWDZBQOSA-N 402.520 1.962 30 10 HDEE Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1585295162 CHKUGLWLQGPAGX-UHFFFAOYSA-N 419.441 1.400 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)NC 1588186415 XRMFCKDZHPRQII-LJQANCHMSA-N 413.547 1.832 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1ccco1 1588613293 VRVBKSZAECLJLP-UHFFFAOYSA-N 418.457 1.926 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589208142 VXUHISKZHFIZCQ-MBOZVWFJSA-N 421.567 1.446 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1595517150 QQRHJSPRBJEPLP-KRWDZBQOSA-N 407.478 1.081 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1595544977 OWSUDVQLQLDGRG-INIZCTEOSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1595601922 AKAQSSQZSDQBJE-UPJWGTAASA-N 403.405 1.588 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCS(=O)(=O)CC2)C1 1595713880 GVXWKCKLHHTUMT-INIZCTEOSA-N 405.524 1.879 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595866567 PFMILKNSJZOTPC-OAHLLOKOSA-N 410.569 1.611 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1596951182 DZWCCNUZERLTTH-QGZVFWFLSA-N 423.521 1.681 30 10 HDEE Cn1ccnc1[C@@](O)(CCNC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F 1597122180 NMLQBJGKZWGAHQ-LBPRGKRZSA-N 409.302 1.983 30 10 HDEE COc1nsc(C(=O)N(CCC#N)CCN2CCOCC2)c1Br 1598065499 JBNPFLOFNWNWHK-UHFFFAOYSA-N 403.302 1.602 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1614029375 IMLCMECCKGCVHV-FQEVSTJZSA-N 414.602 1.435 30 10 HDEE Cc1nc2sccn2c(=O)c1CCn1cc(C#N)c(I)n1 1614553308 YVQZBTPTTXFKTH-UHFFFAOYSA-N 411.228 1.980 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H](C)N(C)C2CC2)CCOC1 1616205358 HFQLTENUDIAYJN-UIAACRFSSA-N 406.506 1.855 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1616943836 VRUYYHHGQCXQJE-GDBMZVCRSA-N 402.394 1.905 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)C1CCN(C(=O)OCC)CC1)c1cc[nH]n1 1617289990 DTZRRTAYBRRISG-ZDUSSCGKSA-N 423.470 1.067 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)CC1 1617689541 JJWDMHXQZHGKEI-GOSISDBHSA-N 414.506 1.505 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1617971611 OYFYFCALBFHFNW-ZZEZOPTASA-N 424.509 1.832 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CCN(C)C3=O)CC2)s1 1618067910 LVPYGFZJRNHYFN-UHFFFAOYSA-N 411.549 1.226 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)CCO1 1618688546 BVXHCRLBTWSPDT-GOSISDBHSA-N 424.505 1.585 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C)N1CCCCC1 1620026416 YWZJEOZZOCWGCQ-IPMKNSEASA-N 420.558 1.995 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)c1 1621669054 JTKDEPAZQOCVSO-HUUCEWRRSA-N 404.410 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCCCCCS(N)(=O)=O)[C@H](C#N)C1 1621714775 CPBTZOABQXIAAE-CQSZACIVSA-N 402.517 1.197 30 10 HDEE C=CC[C@@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1624932145 WZLIRLIVJXCRTM-GOSISDBHSA-N 403.479 1.565 30 10 HDEE N#Cc1cccc(C(=O)NCCS(=O)(=O)C2CCOCC2)c1Br 1627964126 IHTIMZFHFWHJTO-UHFFFAOYSA-N 401.282 1.644 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2nn3c(c2Br)CCC3)CC1 1628786701 JGWZYAPCOXNAGW-UHFFFAOYSA-N 401.268 1.821 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N(CC#N)CCOC)CC2)cc1 1629261562 MBTDHHCUEUADJY-UHFFFAOYSA-N 409.508 1.485 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 1631390970 NJGYEPHPUQUDHD-LNSITVRQSA-N 419.425 1.841 30 10 HDEE C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1632888390 UPWMBADIOWACNT-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1634306710 QPXCZCVNPIZPKV-CABCVRRESA-N 403.545 1.776 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1635810760 USTUJFBHJDJSMU-SUMWQHHRSA-N 408.501 1.104 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(Br)no2)ccc1F 1636940631 HFVKBGSAVQGHOE-UHFFFAOYSA-N 418.244 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC3(C#N)CCCCC3)CC2=O)C1 1637012286 NEXRQLFNOOIRAO-OAHLLOKOSA-N 419.526 1.980 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1637185570 YHPOTMWNENUCOF-QZXCRCNTSA-N 400.541 1.938 30 10 HDEE C[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)c1ccc(Cl)cc1 1637513311 MUOQOQWLHWZZRR-LLVKDONJSA-N 400.822 1.766 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc(N4CCOCC4)ncn3)C2=O)cc1 1638428418 BYGWGIBQDSMOJS-QGZVFWFLSA-N 406.446 1.110 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C 1640916386 OPVDJXVNEMGCSZ-CKEIUWERSA-N 421.519 1.946 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](COC)c2cccc(OC)c2)cc1 1640970959 WSFZIISVTZGCKX-LJQANCHMSA-N 402.472 1.724 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)c1C#N 1641801441 AMUWTRXQQPUXKA-RYUDHWBXSA-N 422.454 1.195 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2ccnn2-c2ccccc2)c1 1641870686 JPRZDWHSKYFDHY-UHFFFAOYSA-N 409.471 1.381 30 10 HDEE C#CCN1CCN(C(=O)c2cnn(C(C)(C)C)c2I)CC1 1642208987 VCYZFPJIRGNNCO-UHFFFAOYSA-N 400.264 1.634 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(Cl)c(Cl)c2)CC1 1643372722 YPOZWGWOBBYPMD-UHFFFAOYSA-N 418.346 1.883 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)C(=O)OC 1643610337 GLUHVPMBROJPSG-HNNXBMFYSA-N 418.899 1.502 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 1644215787 QGEBNRUATNYBGU-WLRWDXFRSA-N 402.476 1.829 30 10 HDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)CCc1cccc(C#N)c1 1644228423 MPUPIHVOBFLVDQ-MRXNPFEDSA-N 414.531 1.427 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCC[C@H]3C(N)=O)CC2=O)cc1Cl 1645728317 HRRFBTXPNNJVOJ-YOEHRIQHSA-N 417.897 1.021 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1647863806 RPUQAOLBVKCROQ-GOSISDBHSA-N 417.575 1.906 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)NCC#CCN(C)C)cc1 1648647860 UKMXETPXIIRKGS-UHFFFAOYSA-N 405.520 1.606 30 10 HDEE C=CC[C@]1(C(=O)N2CCCN(CC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1651789722 ZRIIRDRYKQKCSR-JOCHJYFZSA-N 422.570 1.955 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 1652012783 GWKRDMWGMNVPBV-GDBMZVCRSA-N 402.447 1.825 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2c([nH]1)CCCC2 1652628675 IPRZSUVUMMXKSU-UHFFFAOYSA-N 401.492 1.424 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)c1 1653698324 XCHHGJFYNPGLPO-UHFFFAOYSA-N 420.418 1.519 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 1653747301 FSXNXQASYNHYGM-BPLDGKMQSA-N 422.507 1.397 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 1654834429 BFDWQRNVTCOYNF-OAHLLOKOSA-N 403.464 1.009 30 10 HDEE COC(=O)c1ccc(N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)c(C#N)n1 1655458018 FTOMDVRJSYEGHE-INIZCTEOSA-N 410.430 1.970 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOc3c(cccc3C(=O)OC)C2)c1 1656324069 INYYTYHAVYDDMX-UHFFFAOYSA-N 407.426 1.997 30 10 HDEE CCOC(=O)C1([C@@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCOCC1 1660421109 BCVKMWOHMFGFLJ-QZTJIDSGSA-N 408.543 1.017 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC 1663037806 OBHHKYQGQOAYCL-GFCCVEGCSA-N 421.244 1.482 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)c(=O)nc1O 1667542657 FMEIITDOORPLFK-NDEPHWFRSA-N 415.353 1.270 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 1670063092 RIMUYOVQBSJTNQ-ZFWWWQNUSA-N 404.492 1.037 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(OCCN2CCNC2=O)cc1C 1670645125 RPXGSBGHFVAEGW-UHFFFAOYSA-N 410.496 1.121 30 10 HDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1672150571 MJDDYUIKRWOOEO-IBGZPJMESA-N 414.487 1.797 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3ccc(C#N)s3)CC2=O)C1 1673780246 AZGXKMGLLIBCJM-LBPRGKRZSA-N 419.507 1.639 30 10 HDEE C=CCn1cc(CNC(=O)N2CC(n3cc(-c4ccc(OCC)cc4)nn3)C2)nn1 1673802705 PZMFTNXQDNLWCO-UHFFFAOYSA-N 408.466 1.888 30 10 HDEE C=CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H](C)COC 1679033684 XVNMPDHJEGGZCQ-LBPRGKRZSA-N 401.451 1.781 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCn3ncc(I)c3C2)nc1 1681739595 PNIBRBRKTDNCMN-UHFFFAOYSA-N 408.203 1.480 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1689999979 OKAIBQPMXBFMGF-ZDUSSCGKSA-N 406.899 1.058 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOc1ccc(OC)cc1 1690015690 VEPIGUTUHOQFPC-IBGZPJMESA-N 407.474 1.780 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1690063397 AYVYHMCKJFVFGD-UHFFFAOYSA-N 403.508 1.449 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690170827 REAUBNVYCKGQTH-SJORKVTESA-N 403.552 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690667895 LPEPUBHEBKBCEE-UHFFFAOYSA-N 411.510 1.383 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCS(=O)CC1 1690675351 YAUBMGNRTWVSMB-UHFFFAOYSA-N 401.536 1.324 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2OCCC2(C)C)CCOC1 1692591838 FIOLTQDAOSPGJI-XGHQBKJUSA-N 419.526 1.863 30 10 HDEE Cc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1693368770 LQZLNRUTDFGLPO-CYBMUJFWSA-N 414.420 1.545 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@H]1C 1693707133 HMSQPYWMWAIZKF-HUUCEWRRSA-N 402.524 1.848 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1 1696839505 ZYKFOSQAGVRIPA-HNNXBMFYSA-N 403.508 1.724 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C2CC2)cs1 1698060756 GLWATRPLVPJFPY-CQSZACIVSA-N 415.523 1.978 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1698172724 XTTUOMYRPPCEPJ-UKRRQHHQSA-N 406.874 1.828 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1705477365 NAINEZWOYCCCMZ-CABCVRRESA-N 412.519 1.943 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1705612832 PWDJJWGENJRODP-UHFFFAOYSA-N 405.510 1.693 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@@](=O)CC 1705628339 DEGULWJWJQRRKZ-YRVHBCJASA-N 418.519 1.645 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C)CC1 1705632719 AALJVIXRNGXTFN-LJQANCHMSA-N 424.549 1.878 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1705637597 DJHHQMZNBFYNFE-NRFANRHFSA-N 418.549 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NC(C)C)CC1 1705640287 MGHMOZLUYJZEMV-UHFFFAOYSA-N 416.476 1.427 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)C(C)C)CC1 1705648289 PYSAGSZFQOTLIV-QZTJIDSGSA-N 403.527 1.419 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 1705658543 SPDHDRYZCFPHIU-QGZVFWFLSA-N 404.540 1.677 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)CC1 1705767391 LIKPWWUCPVCBRC-LJQANCHMSA-N 415.586 1.659 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1705864402 AKYJUGNELGVIJO-UHFFFAOYSA-N 414.485 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CCC 1705900986 WVSOYLYVRAHUSL-UHFFFAOYSA-N 419.555 1.777 30 10 HDEE Cc1nccnc1CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1707794248 SFMHHAWRFAGWRH-ZDUSSCGKSA-N 408.466 1.943 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1708209233 HZOFHQGTFCNWJM-CHWSQXEVSA-N 407.521 1.635 30 10 HDEE CCOCc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1710642325 UXNYLWFKDKTKEQ-UHFFFAOYSA-N 422.511 1.188 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC(C#N)CC1 1710893287 UYITXDMIBJEPHV-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE CCS(=O)(=O)NCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(C#N)cc1 1710902865 DKQQXGGRJBVWCY-UHFFFAOYSA-N 400.468 1.233 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722274387 LZCPDOHPFUQOEQ-BZSNNMDCSA-N 416.570 1.860 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2nncn2CC)c1 1722307311 LNCQPLSDKWNHTA-UHFFFAOYSA-N 418.505 1.947 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722374417 YYDQETMMCUTNPP-OKZBNKHCSA-N 421.567 1.412 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1722381724 AXWVBLCDOIAHDP-IBGZPJMESA-N 417.579 1.375 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1722411440 GNFUXCYQLWYQJC-OAHLLOKOSA-N 412.581 1.552 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc2c(c1)C(=O)NCC2 1722424278 IJXOCMLQLWEKKG-UHFFFAOYSA-N 418.501 1.704 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2COCC)CC1 1722429498 MSMQLKRNFXAPGM-UHFFFAOYSA-N 424.549 1.756 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722509175 WPYCVPZJRUHYEY-BBWFWOEESA-N 409.556 1.655 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722728162 UWEHLVYPKLGQGI-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1722731725 PUSRJMAXGNWOBN-FCEWJHQRSA-N 410.540 1.520 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1723081499 GZHSQWZPEAZMDR-UHFFFAOYSA-N 423.521 1.551 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726740902 GMYFFWYLPUDTHO-BRSBDYLESA-N 404.515 1.358 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1729679440 HPNAHQPITLMXKR-SFHVURJKSA-N 408.462 1.115 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)n1 1730651132 XFNVAHRSNSTUQB-UHFFFAOYSA-N 409.450 1.550 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1731008262 HEYDLOSPARYREO-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN(C)S(=O)(=O)CC 1740611976 YSZSWAMZSSWIMO-UHFFFAOYSA-N 407.515 1.749 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740617201 NSTOTQSDQDVFHT-CQSZACIVSA-N 410.446 1.570 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622810 IWDZSOWIKDPTJW-JKSUJKDBSA-N 421.567 1.682 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740627871 TUBAOZWKFUIPAV-BRWVUGGUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1cn(C2COC2)nn1 1740643396 IGZJMRQIXKBWRV-UHFFFAOYSA-N 417.473 1.449 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1740650621 HOXCXPWIJQJWIQ-SBUREZEXSA-N 424.501 1.965 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740716442 RJXUDTIXUWXDNE-HNNXBMFYSA-N 402.524 1.385 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 1740979585 ALIGMDPZLWTPBA-WIYYLYMNSA-N 402.470 1.941 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1741000466 AUOIYXOQTBEJHX-CYBMUJFWSA-N 420.539 1.743 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1741803412 VAGFLMDOVUMXBZ-AWEZNQCLSA-N 408.503 1.686 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nnc(C)s2)n1 1742699511 GKVTVPZZTGDSEI-SFHVURJKSA-N 415.502 1.984 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1748712450 HSSIGZOSEWXTLV-INIZCTEOSA-N 402.524 1.942 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805014 MWHBVOCLZIWJLD-YLJYHZDGSA-N 415.563 1.734 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1748811802 LQSMDXNYBFHCBI-INIZCTEOSA-N 403.508 1.493 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1748814656 IIPAFCPUFXPICE-ZWKOTPCHSA-N 424.567 1.963 30 10 HDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1748820394 AZGXEWFLFPGUGM-GOSISDBHSA-N 414.531 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNC(C)=O 1748828344 CQPCHCFSQQXBAP-UHFFFAOYSA-N 403.284 1.635 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748847105 OWUGTVKQHLQLBT-GHTZIAJQSA-N 415.563 1.063 30 10 HDEE COc1ccc(OC)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1748857469 SIGMKYBTKDZIEW-CRAIPNDOSA-N 413.478 1.966 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC(C)CC2)CC1 1748989735 CNPSGNRGLSSPAU-FQEVSTJZSA-N 400.571 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2ncn(C)n2)CC1 1749010942 SNFLXRBCSDUAMY-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749033271 CKWZYFCIEYMWIJ-VQIMIIECSA-N 416.595 1.511 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCCO1 1749655685 OZYKDCPWCHVRHO-MRXNPFEDSA-N 400.439 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 1749663408 DCNGWTPFDPPQMH-UHFFFAOYSA-N 409.416 1.327 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(SC)c1 1750005650 CNYMYTQUNYKQSF-GOEBONIOSA-N 418.523 1.896 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760185014 NSKCWKLXTNZQPW-KRWDZBQOSA-N 415.519 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1760200311 CHXMQCPIOVQBHN-HSZRJFAPSA-N 416.485 1.426 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(CC)CC)N(C)C)CC1 1760259940 IOYDKXSQTBEBGN-HXUWFJFHSA-N 410.570 1.857 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1760430203 BQCVKGFCSLVDAH-UZLBHIALSA-N 404.515 1.500 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]2CCC[C@@H]21 1760522548 WEODYWXBGGNDKX-OAGGEKHMSA-N 407.540 1.251 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1761542089 BORZHGPYVMZQQS-BEFAXECRSA-N 417.539 1.827 30 10 HDEE CCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764372832 YCPZLPADKKDATR-CVEARBPZSA-N 414.514 1.789 30 10 HDEE CCOCCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768107138 PULMCDBUYYJANM-CZIZESTLSA-N 410.478 1.944 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCC2(C1)OCCO2 1769302964 VWJCWWJRYMZFDY-QGZVFWFLSA-N 424.505 1.932 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1771223165 RNEQBYHYLYHKHF-CABCVRRESA-N 424.502 1.256 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCSCC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1771531781 CMDBFBNWZYNBCA-HNNXBMFYSA-N 411.491 1.358 30 10 HDEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2c(C#N)cnn2CC(F)(F)F)CC1 1851236980 VEQOBIIXWHJQPM-UHFFFAOYSA-N 420.395 1.957 30 10 HDEE N#CC1(CNC(=O)[C@@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)CCOCC1 1853043147 ZKWABUYUPPYXLB-GOSISDBHSA-N 411.568 1.492 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@H](C)NCc3nc(-c4cnn(C)c4)no3)C2)CC1 1853573414 UPQJXXROJYNEDU-LSDHHAIUSA-N 420.539 1.709 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1853741911 QAMKRTPLFCAEFT-ROUUACIJSA-N 403.504 1.127 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1853784862 PTFMYOGQBMWBHO-DLBZAZTESA-N 400.479 1.406 30 10 HDEE COc1ccc(OC)c(CN2CCN([C@@H]3CCCN(C(=O)CC#N)C3=O)CC2)c1 1854006303 WJTMFZITZDNRQH-GOSISDBHSA-N 400.479 1.253 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1854032615 ZINHXOXSBDWUHQ-MOPGFXCFSA-N 417.531 1.517 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)c2cccc(C#N)c2)C1=O 1854096974 GMBRTBXSWQBXSQ-OALUTQOASA-N 417.531 1.977 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 1854395536 FIYKKOVNTZYCBE-UHFFFAOYSA-N 419.381 1.637 30 10 HDEE COC[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C1 1854591523 BFTNVIFLLCAFJM-CQSZACIVSA-N 405.476 1.453 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1855371463 ZCYKRUZCRBDNMG-WBVHZDCISA-N 412.490 1.541 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCCN(C(=O)CCCn3ncccc3=O)C1=O)CC2 1855408857 VGSBRVQLUBAREV-ROUUACIJSA-N 411.506 1.557 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCCCO2)CC1 1855839491 IFOUYWFMROCWIY-SFHVURJKSA-N 417.487 1.596 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1856049300 FXXGICRIBDLLNM-HNNXBMFYSA-N 422.407 1.784 30 10 HDEE CN1CCC(N2C[C@H](C(=O)N3C(=O)CN(CCC#N)c4ccccc43)CC2=O)CC1 1856132918 WFWVVUDXRZCPBP-MRXNPFEDSA-N 409.490 1.223 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(F)cc3)C(=O)O2)CC1 1856653646 ZKZIRMUIXWNFLQ-INIZCTEOSA-N 409.439 1.281 30 10 HDEE CN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4ccc(C#N)s4)CC3)CC2=O)CC1=O 1856901725 HBDYMDXFGMRDLT-HZPDHXFCSA-N 414.531 1.685 30 10 HDEE CCOc1ccc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1857101588 QXIVJUXPPWFUGO-KRWDZBQOSA-N 407.430 1.251 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CCC2CCCCC2)C1=O 1857149737 LUNHQJIMTIWKFJ-LJQANCHMSA-N 410.522 1.957 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)cc1 1857308590 KNNWWYMPPPXQFI-GOSISDBHSA-N 402.445 1.962 30 10 HDEE COc1ccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858336556 UBCHGBCAQZIECL-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE N#CCCN(CC(=O)O)C(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1866303683 HPQCGIVMERFCBD-UHFFFAOYSA-N 405.410 1.966 30 10 HDEE N#Cc1ccc(COc2cn(CCOCCO)c(CSCCO)cc2=O)cc1 1870233044 VBXPELRVBZGOPJ-UHFFFAOYSA-N 404.488 1.533 30 10 HDEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CSc1nnnn1C 1870296258 QVLHPACIMGFMGG-UHFFFAOYSA-N 417.447 1.809 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871632619 GDFOHMXDHACHTM-UHFFFAOYSA-N 410.482 1.513 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(F)c2)CC1=O 1874336649 CGSSGGZJTATTLQ-OOMAIKSQSA-N 404.471 1.601 30 10 HDEE CCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cc1 1874434143 PQMVJBOJYGBWBV-KEBDBYFISA-N 405.480 1.850 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 1882507888 AMGLAQJUXGUWEY-KRWDZBQOSA-N 420.418 1.992 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)CC1 1889262713 SVHCNVLPNNARMZ-UHFFFAOYSA-N 413.566 1.020 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)COC1 1985175649 AZELWXTWOUFPHS-SFHVURJKSA-N 414.506 1.859 30 10 HDEE N#Cc1cccc(C[S@@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074703099 UHSBYASDQRMKRE-UULLZXFKSA-N 401.444 1.972 30 10 HDEE COc1ccc(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)s1 2110100157 IXPPKRXHWHXLFI-UHFFFAOYSA-N 403.316 1.130 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2163570761 KGPBKRDUHYLJOY-HNNXBMFYSA-N 403.545 1.645 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CC[C@@H](C#N)C1 2174782583 RUEFFZPTCYNBIO-RRFJBIMHSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2243431418 IIHQKUCTSPSGQF-YRVVQQKDSA-N 406.288 1.562 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CC(O)C1 2245252654 DGDPRVHUSYQDFD-CMDGGOBGSA-N 410.320 1.956 30 10 HDEE Cc1cc(C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2247818645 ZQLXIAXNAAVHTD-ZDUSSCGKSA-N 424.303 1.503 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1 2247914741 PSUYNIZLUIYLGL-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE C#C[C@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258185378 QXQFJMUWYFXXHN-IAGOWNOFSA-N 408.476 1.430 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@@H]3C(N)=O)sc2Cl)OC1(C)C 2281964769 CGSHYEQIGCFEEC-SNVBAGLBSA-N 400.693 1.027 30 10 HDEE COc1cc(C(=O)N2CC[C@H](C3OCCO3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2281989978 HFRRSVDOWTXEIG-HNNXBMFYSA-N 403.284 1.829 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282030211 BZGQRTAQYCODKA-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE COC[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316902 JKYLXSCXCNZQDL-STQMWFEESA-N 401.359 1.917 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCS(=O)CC2)OC1(C)C 2282414380 RTHGGRXEQHWVLG-UHFFFAOYSA-N 419.761 1.392 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@@](C)(O)C2)OC1(C)C 2282417572 CRTNXLITFAUYFR-MEDUHNTESA-N 402.347 1.165 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282540057 DJUKDDNFGOGTEX-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2CC[C@H](N)C2)OC1(C)C 2282883709 DYLYUVQVFGTNOH-STQMWFEESA-N 400.375 1.843 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)F 2284399203 HMKYZWXXNMVRBR-QPUJVOFHSA-N 407.294 1.445 30 10 HDEE C[C@@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407078 GZUFVZYMUHNCBE-GXSJLCMTSA-N 419.355 1.584 30 10 HDEE CS[C@H](C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413555 LTZVZJDBFMKEOM-BXKDBHETSA-N 421.371 1.530 30 10 HDEE CCCN(CC(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284414335 GROBDOVPYKLBAP-UHFFFAOYSA-N 403.331 1.674 30 10 HDEE Cc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329013074 QOUBINQHKOAQRX-HNNXBMFYSA-N 400.508 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#Cc2nccs2)S(=O)(=O)C(C)(C)C1 2338221924 SAJWHVXRQNLLIU-CHWSQXEVSA-N 400.522 1.668 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2358803853 XNRYJPXCXWKDAT-DAYGRLMNSA-N 401.529 1.728 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(CCNC(=O)OC(C)(C)C)C1 2365204794 ZWXWDUCCLTWZNM-HVEKOLDVSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CO1 2367805106 YOGLIMVBLFMWIT-JYJNAYRXSA-N 401.525 1.638 30 10 HDEE C[C@](C#N)(NC(=O)Cn1ncc(Br)c(Br)c1=O)C1CC1 23558283 NVXUAIAUKMLEGK-GFCCVEGCSA-N 404.062 1.577 30 10 HDEE Cc1cc([C@@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc(C)n1 41574018 OYKJUCZZIFWFDO-GOSISDBHSA-N 414.487 1.913 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2nnc(-c3ccccc3)n2)cc1 109943327 TZSNVIZTUZZXKE-QGZVFWFLSA-N 419.470 1.752 30 10 HDEE C#CCN(C(=O)c1ccc(F)cc1I)[C@H]1CCS(=O)(=O)C1 221947214 XWMKNWIVENBIOH-NSHDSACASA-N 421.231 1.693 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1C(F)(F)F 409536206 QOTBSYOVGZYJRK-UHFFFAOYSA-N 419.406 1.703 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 409570801 ODTDSRGVOHDDAX-LBPRGKRZSA-N 405.446 1.995 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)C[C@@H](C)O1 433496467 KTIUGQJMPQQQGL-OKILXGFUSA-N 402.476 1.947 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 434058566 UUGTYRDCVGMRED-LNSITVRQSA-N 419.425 1.387 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(OCc3ccccc3)CCOCC2)CC1 435871669 ULJIGTPWIJQRFG-UHFFFAOYSA-N 401.507 1.199 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)nn2)cc1 445983848 SVSOXIKCWBICHT-UHFFFAOYSA-N 418.461 1.574 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1 446961432 YMKHSCJSJISOEX-AWEZNQCLSA-N 402.398 1.918 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 460923108 COZTXFBPRSUJNV-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C[C@@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[C@H]1N1CCN(C)CC1 462086714 WFKLNCRHUALNFR-VQIMIIECSA-N 408.510 1.629 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)cn1 466034106 AHEQDYNMPLAKOJ-UXHICEINSA-N 407.522 1.808 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c1 473451025 UEEYSYJORVSCQX-ZWKOTPCHSA-N 413.455 1.404 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCc4cnn(C(C)C)c4C3)CC2)c1C#N 480130796 AJIJWFINMXIIAB-QGZVFWFLSA-N 410.526 1.767 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2cccs2)C1 483094140 XDOULVFEPUFZFF-XJKSGUPXSA-N 405.501 1.887 30 10 HDEE CCc1nc(C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)n[nH]1 484710872 ZZLCGWYJOMZQOA-UHFFFAOYSA-N 412.498 1.063 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(C(=O)NC4CC4)c3)C2=O)cc1 486013660 WSPLAFSSDWWDNR-HXUWFJFHSA-N 402.454 1.981 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 497515013 CBEDTCSZZUMTOU-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE COC(=O)[C@@H](C)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 504912871 BLIFYBMGXUHBJI-SUMWQHHRSA-N 412.446 1.563 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](Cn2cccn2)C1 508507657 ISNHFIJBPWNIPF-HNNXBMFYSA-N 413.507 1.558 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508734912 UFBQVUPAPXRXSX-INIZCTEOSA-N 411.514 1.900 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 510176298 JSSWLJIKTHGHPK-SNVBAGLBSA-N 413.301 1.803 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3cc(Br)ccc3[nH]2)CC1 512705478 KQUXBWMZGPMVBG-UHFFFAOYSA-N 405.296 1.990 30 10 HDEE COc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C#N 533539341 MAWLZLJLHSPRFJ-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCCO1 533884150 AGXHGDPNKZDNKO-QGZVFWFLSA-N 409.511 1.746 30 10 HDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NCC1CCN(CC#N)CC1 536414010 JHSDDJZZDFZYOF-UHFFFAOYSA-N 406.508 1.558 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 540335918 SVNANLXCNTXSLY-UHFFFAOYSA-N 417.535 1.351 30 10 HDEE C=CCn1c(Cc2noc(-c3ccc4c(c3)nc(O)n4C)n2)nnc1N1CCOCC1 546352150 KTJYTYWDNMVXQU-UHFFFAOYSA-N 422.449 1.534 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2)o1 555165328 HSJBFAAHMAUQTG-AEFFLSMTSA-N 402.495 1.755 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC2)CC1 559235436 KVJNTJZRDJRKOG-MRXNPFEDSA-N 404.478 1.903 30 10 HDEE COC[C@@H](C(N)=O)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 559294465 ONHDABJAROXVJA-SFHVURJKSA-N 415.469 1.535 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561223696 DOHHEZJOBTWXCR-INIZCTEOSA-N 402.470 1.619 30 10 HDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1 576305435 YIOVBVUWWUHJMM-LJQANCHMSA-N 409.508 1.815 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(CC3CCN(S(C)(=O)=O)CC3)cc2)CC1 581805286 HMQNBSSLBDAASN-UHFFFAOYSA-N 405.564 1.845 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4cnccc34)c2C)CC1 595381156 WVSQNVWTWJLZAJ-UHFFFAOYSA-N 419.489 1.184 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)nc1 609005683 SSBLSNYBGOGSRG-UHFFFAOYSA-N 419.489 1.672 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609254140 BXLPMMQDRHADKX-HNNXBMFYSA-N 401.486 1.972 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 669811177 XCHCGOLFTDPDCU-AWEZNQCLSA-N 401.471 1.784 30 10 HDEE C=CCOCCNC(=O)C(=O)N1C[C@H](C(=O)N2CCCCC2)Oc2ccccc21 679532350 PMWQEDASSIOZQM-GOSISDBHSA-N 401.463 1.112 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2ccc(F)cc2C(=O)OC)c1 728991820 ULSFTOACRDEVEP-UHFFFAOYSA-N 405.403 1.881 30 10 HDEE C#CCN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 732062065 OVWJZHAXBHGJDC-WIYYLYMNSA-N 402.560 1.979 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1C1CC1 732649437 VMOMDJVWGLLQSM-WMZOPIPTSA-N 402.520 1.286 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 737968376 CFOJXAYIQWKGFZ-LZWOXQAQSA-N 420.535 1.300 30 10 HDEE Cc1ccc(F)cc1NC(=O)C=NOCC(=O)NC[C@H]1CN(CC(C)C)CCO1 749790577 DJSNZAOUXQCTRB-KRWDZBQOSA-N 408.474 1.548 30 10 HDEE CS(=O)(=O)[C@H]1CCCC1=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1 751134303 IPJFFXPRIOPOHF-ZDUSSCGKSA-N 415.522 1.704 30 10 HDEE N#Cc1ccc(C(=O)NS(=O)(=O)c2ccc(I)cc2)cn1 760314860 MERDMSGUVKYMDX-UHFFFAOYSA-N 413.196 1.677 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1C 780848919 SCZSPNBZBKTZMK-HXUWFJFHSA-N 413.499 1.742 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 780893691 CPPOXTQYCVLXPN-MRXNPFEDSA-N 406.508 1.518 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C/c1c(Br)cnn1C 782346843 FCANCLDTXNQJMI-AATRIKPKSA-N 415.313 1.937 30 10 HDEE C[C@@H](OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)NC1(C#N)CCC1 787606964 VPJQESRWWJEETF-CYBMUJFWSA-N 413.455 1.843 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(C)c2F)CC1 789935971 RUIDDVKSLGOHQL-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE CC(C)(C)OC(=O)NC1[C@H]2CCC[C@H]1CC(C(=O)NCCn1cnc(C#N)n1)C2 803550398 NEDPISUDNAQNTI-JPQBHMHHSA-N 402.499 1.986 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccc(F)cc1 812754911 HBAKZQOFWPVERS-QGZVFWFLSA-N 405.451 1.289 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 917925485 HJPTYEGOGMMEDI-HNNXBMFYSA-N 412.533 1.482 30 10 HDEE CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1c(C)oc(-n2cccc2)c1C#N 921240398 FCYFUQXAAJVCGM-AWEZNQCLSA-N 418.475 1.016 30 10 HDEE N#CCc1cccc(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 1132801413 QVMIUNBUGVJCNR-VEGGFIAOSA-N 403.442 1.889 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1133158196 ZDZVIWJIYPKZIY-MRXNPFEDSA-N 421.519 1.862 30 10 HDEE N#Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)nc2n1CCOC2 1134817671 FVTXOWKDVSDJST-UHFFFAOYSA-N 421.866 1.585 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588392 YUBULCBYHNWJSI-ZWKOTPCHSA-N 422.570 1.859 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cn1 1141576802 FCCSEHDYZLZKIK-UHFFFAOYSA-N 402.451 1.604 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)CC1 1144027603 ONMODYRAIFKSIJ-CQSZACIVSA-N 411.428 1.063 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)ccc1F 1153891616 ILHIGNVRLYGGCB-SFHVURJKSA-N 416.471 1.113 30 10 HDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1154157541 CZGVZUYSRBFIOZ-HDBFXVAESA-N 423.539 1.639 30 10 HDEE C#CCN1CCC(C(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1157912937 CCXYJCDIJCYXCQ-UHFFFAOYSA-N 405.539 1.960 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1163726051 IQRBBPOHDYNOHF-QXSJWSMHSA-N 422.551 1.118 30 10 HDEE N#Cc1cc(C(F)(F)F)cc(N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)n1 1164288431 QQALZWLDLQTMEY-QMJNDHNRSA-N 402.398 1.595 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1205520780 SMQDRDLBVCTNNI-CYBMUJFWSA-N 407.373 1.554 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1208034293 BKRJESHJHAVBQY-UHFFFAOYSA-N 420.512 1.167 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2nccn2C)C(C)(C)CO)c1 1211934191 RTCCWURFEWKAFF-MRXNPFEDSA-N 406.508 1.374 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@@H](C)N1S(=O)(=O)c1cc(Br)ccc1C#N 1213519321 FNSGFRHJOSRZHF-MXWKQRLJSA-N 400.298 1.949 30 10 HDEE C=CCN1CCC(NC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CC1 1221806273 AZDWESXZIUWZHD-UHFFFAOYSA-N 420.514 1.657 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1227631209 FREJPWBCMDHXSX-MSOLQXFVSA-N 410.478 1.042 30 10 HDEE COc1ccc(Br)c([C@@H](CO)N(C)C(=O)NCCn2cnc(C#N)n2)c1 1228007506 DZJGYBUEXXYNJS-CQSZACIVSA-N 423.271 1.296 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1)C1CCOCC1 1231333683 ZLHJEQPVNXLELX-NFBKMPQASA-N 411.502 1.628 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1)c1ccc(Br)cc1 1252457832 FZLHMBABMDENIL-KFWWJZLASA-N 423.263 1.727 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1277737185 JUYWMTDPDYPDFZ-JOCHJYFZSA-N 409.490 1.359 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CCOCC1 1280097622 ROPDQMRRHPJRKQ-DOTOQJQBSA-N 416.474 1.610 30 10 HDEE C#CCOCCC(=O)NCC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1282455874 UKGPRMPUHFASDK-IYWGDAJJSA-N 402.535 1.831 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1286314769 RGCHQRHZORNEAE-ROUUACIJSA-N 422.599 1.756 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286396584 WFLLZPJFDJRFAW-SJORKVTESA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@H]1OC 1286398850 RCIFBFOOFIXWBJ-FUHWJXTLSA-N 401.511 1.321 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(N2CCOCC2)CC1 1286403792 LWFUAQTTZNCIDK-UHFFFAOYSA-N 410.909 1.931 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccsc1 1286414841 DSSBUFARGGIGAX-NRFANRHFSA-N 411.531 1.946 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1286726838 JDUGMKQBQSGKIZ-KKUMJFAQSA-N 401.508 1.371 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286787420 FPFAPORNJYANNF-SJORKVTESA-N 402.543 1.395 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1286810146 NVQPOWPAHMCBOB-ZACQAIPSSA-N 403.527 1.868 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1288515290 YCTXPAJUSCUYNR-AWEZNQCLSA-N 401.496 1.494 30 10 HDEE COc1cc(C#N)ccc1C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1288654487 PBGFSLKYAKQYCG-UHFFFAOYSA-N 412.450 1.880 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@@H]1C 1295982326 DMRQKFWBWIFZIV-JKSUJKDBSA-N 405.510 1.912 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1296167093 KQMRLJJBTLFUQY-XGUBFFRZSA-N 424.498 1.544 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCOC)cc1 1297309807 LTVMYGFVWGXJJN-GOSISDBHSA-N 401.467 1.617 30 10 HDEE CN1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C1 1298877453 FPCAJXHLUHRIEF-RTWAWAEBSA-N 424.509 1.122 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C)CC1 1301492361 GRVSBRSBDYDCFK-MRXNPFEDSA-N 421.509 1.849 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)COCCO2)C1 1301536217 SFAYPSDKRQIBHW-LAUBAEHRSA-N 421.542 1.783 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)N(C)C)C1 1301565613 DYTIHRXOPJBUIC-MRXNPFEDSA-N 404.540 1.893 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)OC)C1 1301578022 XDHGVJRVAUXUPG-OAHLLOKOSA-N 422.507 1.837 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCCOC2)cc1 1302993305 CCVOJAIJMUTWIK-IAGOWNOFSA-N 410.478 1.467 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1304161930 VYJODRBIUGLXAD-LSDHHAIUSA-N 418.498 1.728 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1305205286 HJSKAKFATAEDMV-JTDSTZFVSA-N 413.478 1.758 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)OC 1305817068 DNZHPHGGJKFTDA-INIZCTEOSA-N 406.512 1.227 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1314861656 ZBWBKTMDBWHIFF-IAGOWNOFSA-N 401.515 1.222 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C(C)C 1316171414 ORIGEXIXWNYYKI-INIZCTEOSA-N 406.531 1.904 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1 1316297798 OQTGBQCUDURIIJ-WDSOQIARSA-N 413.478 1.788 30 10 HDEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)ncc1C(N)=O 1355668068 CVJUDGANGFGYQQ-HAVVHWLPSA-N 415.475 1.554 30 10 HDEE C#CCC1(C(=O)NC[C@]2(C)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1358827729 SDBVWQDDQIIEGP-WXUJMHNKSA-N 400.519 1.585 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358961146 SGTKWNMPUJIHCS-CVEARBPZSA-N 421.498 1.260 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1358963445 IESUYHDPTMQITA-UZLBHIALSA-N 420.535 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCSC1 1358986512 YHRBSIHETLNZHP-VQTJNVASSA-N 404.536 1.261 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1nncn1C 1359222086 XQVMDDGLHISYKW-INIZCTEOSA-N 414.514 1.577 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359226600 IUSUIWAFEZJUGJ-CVEARBPZSA-N 404.471 1.644 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1359235713 LCMNOUNTXNNQPI-UHFFFAOYSA-N 410.482 1.475 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCC2)C1 1359302717 REHYBDROOAKTSA-IBGZPJMESA-N 409.538 1.631 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCN1CCCO 1360203348 DFRIRAVLYALWJU-SFHVURJKSA-N 417.558 1.393 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)cc1 1436602807 ALHHEJCHRRRMKQ-INIZCTEOSA-N 404.426 1.901 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc3ncc(I)n3c2)nn1 1436932558 SOLUETNMTUPCGL-UHFFFAOYSA-N 408.203 1.646 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCO1 1439706460 FBOVTRHIPGRVJD-KRWDZBQOSA-N 406.236 1.576 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1445367436 GIAUXWXHBMJEIF-CABCVRRESA-N 405.923 1.174 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1449745758 KVALSHMGDOPGIA-PMPSAXMXSA-N 414.911 1.333 30 10 HDEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCOCC1 1453000462 ZOULEURNKIENMB-QGZVFWFLSA-N 408.520 1.999 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)OCC 1454716265 VRTQFCBZFWLOTA-OAHLLOKOSA-N 423.901 1.096 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C)c1OC 1456118487 ARFJKSATIISFML-CQSZACIVSA-N 417.487 1.867 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1461933303 ODFNWROEDILXKT-HNNXBMFYSA-N 420.535 1.301 30 10 HDEE CN(CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O 1463148381 GSOTWFQPEIFJDN-BQBZGAKWSA-N 418.306 1.507 30 10 HDEE Cn1c(=O)n(C)c2cc(OC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1467813878 ARZDVPURIUBNQO-UHFFFAOYSA-N 403.391 1.533 30 10 HDEE CC[C@@H](C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1469319193 FGQJYPSBPLZDEA-CRAIPNDOSA-N 407.536 1.872 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)cc1 1469689761 LVUMUCDOGUGXEW-UHFFFAOYSA-N 413.455 1.556 30 10 HDEE CCN1[C@@H](C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 1473599777 RPTZAMWHLAAVQP-LVCYWYKZSA-N 401.530 1.949 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1473627685 NFCHLWBPOSCGNC-KRWDZBQOSA-N 409.527 1.947 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504899625 GTYLMBIOIQWASA-FOIQADDNSA-N 413.457 1.277 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1nncn1C 1507656290 UWRJUMMIOSPGEA-UHFFFAOYSA-N 407.503 1.829 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)C2CCCCC2)CC1 1507732881 YQAMHJAJRUQCAI-LJQANCHMSA-N 400.571 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCCC1 1507765985 WXYAWRYDFGNNAO-FUHIMQAGSA-N 422.599 1.755 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507980056 AOEDFWCHTXDXFT-SFHVURJKSA-N 424.553 1.437 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1508006743 VNPPOHYLCHUEMX-FQEVSTJZSA-N 418.567 1.737 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1508111839 JQEQRJBJJISINT-MRXNPFEDSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccoc1C 1508143470 LDWLYMIBVZZQQS-UHFFFAOYSA-N 421.523 1.539 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CCCS1 1510187968 BFGPUSZHACNRRX-MAZHCROVSA-N 416.548 1.616 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1513495013 JUNHYNMBOOHRQV-VGSWGCGISA-N 424.505 1.870 30 10 HDEE CCn1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1515776059 HRVYKELNGBDIGQ-IBGZPJMESA-N 423.477 1.956 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N(C)C 1519319222 LPCXVFXGBQYJIX-LZLYRXPVSA-N 405.547 1.129 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1519466672 CDXDPBIJLOXTOQ-INIZCTEOSA-N 400.483 1.695 30 10 HDEE Cc1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1S(C)(=O)=O 1525532309 HJVLIXUDAXTFAN-UHFFFAOYSA-N 421.500 1.843 30 10 HDEE Cn1nc2c(c1C(=O)Nc1ccc(Br)c(C#N)n1)CS(=O)(=O)CC2 1526375177 PRWADKZVPYLJBC-UHFFFAOYSA-N 410.253 1.172 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 1527617330 XLONCSVCZWOKJB-KRWDZBQOSA-N 418.453 1.734 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCc2ccc(C#N)cc2)C1=O 1528527453 JQMWCWOVTAYAHH-JOCHJYFZSA-N 406.442 1.693 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCS(=O)(=O)C1 1538993333 JDSPZDVBXJSVGI-KGLIPLIRSA-N 402.476 1.566 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(=O)(=O)CC 1539190739 PLVPDNGVYWHTAC-UHFFFAOYSA-N 414.535 1.680 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539221068 YEJJLUOKGCWLFA-FXAWDEMLSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539278452 CVWHOZQQWNIIEH-KRWDZBQOSA-N 408.510 1.388 30 10 HDEE C=C(Br)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1 1539599356 DLTIBSJUVBENLO-CQSZACIVSA-N 420.267 1.635 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539752281 IENXFBPBFRKNES-SJLPKXTDSA-N 415.494 1.217 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(N3CCOCC3)c3ccncc23)c(=O)nc1O 1540592927 BRFVPTDVFAZJDY-UHFFFAOYSA-N 420.429 1.234 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540859371 XJEWCLRTDYDCAQ-GOSISDBHSA-N 409.538 1.583 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@H](C(N)=O)C1 1540874581 LUMWWZOPRNHMPZ-INIZCTEOSA-N 412.494 1.088 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)OC(C)(C)C 1543308355 BVZAZNIRVBRBII-UHFFFAOYSA-N 412.498 1.705 30 10 HDEE Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543311092 MVTGQIBBXDLSPL-FMQUCBEESA-N 423.477 1.145 30 10 HDEE CC(=O)NC[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1544160936 FADCRVHQQLBWNA-GWWPLSDWSA-N 420.510 1.137 30 10 HDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1552724599 HXWHDSUCPKTQLL-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1555190676 BUAPXUOZGYBOQH-OALUTQOASA-N 424.505 1.570 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1555269772 PUTPGENYVFKFRQ-PXNSSMCTSA-N 401.442 1.797 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1555672776 XJZMBIYSLMKRCG-GPMSIDNRSA-N 424.571 1.168 30 10 HDEE COCCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1555714765 IAWJIYIISWERPT-OXQOHEQNSA-N 404.515 1.802 30 10 HDEE C#CCN(CC(=O)N1CCc2ccc(S(=O)(=O)NC)cc21)C(=O)OC(C)(C)C 1566161671 NHVWGYZNTRIFOQ-UHFFFAOYSA-N 407.492 1.354 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nn(C)c3ccccc23)s1 1567416965 FFXAJUOQULWCHB-UHFFFAOYSA-N 404.517 1.958 30 10 HDEE COC1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H]1O 1570616700 VRNBKXPIDLKAFT-KMFGOTIKSA-N 423.510 1.356 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587614019 BITNUHULFSSCDB-YLJYHZDGSA-N 417.517 1.808 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1587852248 UBBIMBOOXNGLMJ-FGTMMUONSA-N 400.527 1.190 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1588035382 SXNDGFPXBWMGEJ-KRWDZBQOSA-N 406.483 1.547 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1588075090 XLVKXYAGPZKGGK-KRWDZBQOSA-N 403.508 1.079 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2(O)CCC2)n1 1588724213 VMDSKTYQPBTAOD-UHFFFAOYSA-N 421.505 1.738 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2c(C)nn(C)c2C)CC1 1588848364 DAKNPDMSDKFLOH-UHFFFAOYSA-N 404.522 1.418 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1589047566 AZODYPQEOQTBGM-SFHVURJKSA-N 414.579 1.951 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1 1589150513 GQMSQMFWHDVTKB-ZMYBRWDISA-N 421.523 1.381 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnccn1 1594455131 MFLZBXVEXCZGSG-CQSZACIVSA-N 407.544 1.917 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1595555776 GXAUEAGZWNWJPO-MRXNPFEDSA-N 407.482 1.036 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](OC)C(C)(C)C1 1595784084 BXXLSSNFIIZTBZ-INIZCTEOSA-N 405.524 1.802 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1618171735 JUGDBPVUOACTNP-MGPUTAFESA-N 416.478 1.568 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)CC1 1623163332 RRZYKZJBIRJRIK-OAHLLOKOSA-N 401.463 1.750 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1 1623968727 BURYKEYDWWHMQK-UHFFFAOYSA-N 405.476 1.294 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(N)c1 1626707704 FMWKZYMRSKAYBL-UHFFFAOYSA-N 413.503 1.728 30 10 HDEE COC(=O)C[C@@H]1COCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1629133200 YXTVLOFTSDBIOH-MRXNPFEDSA-N 403.284 1.698 30 10 HDEE C=CCC1(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CCOCC1 1629758107 SVDCZCLHQKTAQU-UHFFFAOYSA-N 407.555 1.436 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1630149521 YSQFBLMSENCYPT-LSDHHAIUSA-N 418.560 1.268 30 10 HDEE C=C[C@](C)(O)CC(=O)NC[C@@H](O)COc1ccc(I)cc1 1635846611 HEBQLGVJCHKGTO-DOMZBBRYSA-N 405.232 1.474 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1635904756 YFEBREAKXGRSCU-INIZCTEOSA-N 413.540 1.366 30 10 HDEE N#Cc1cc(NC(=O)CNS(=O)(=O)c2ccccc2N)ccc1Br 1635978975 KDLHPYNYNYMGAS-UHFFFAOYSA-N 409.265 1.820 30 10 HDEE Cc1ccc(Br)c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1636250260 UOHUYNGUTUPFFZ-BBRMVZONSA-N 412.309 1.837 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1637715314 MPULIGTYHLFIGV-AEFFLSMTSA-N 413.474 1.939 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1N)OCC 1637816978 LWKKMWNMEAMYOG-SFHVURJKSA-N 413.478 1.950 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1638975835 XWLLONBPUHBPCX-OCCSQVGLSA-N 406.426 1.917 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2nc(C#N)cs2)C1 1639619605 UGWVRSJQRSIMGQ-GFCCVEGCSA-N 414.509 1.055 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3cccc(C)c3)n2)CC1 1644281894 PMJMPSGICCUBHN-UHFFFAOYSA-N 418.544 1.273 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(CC)(N2CCCCC2)CC1)c1cc[nH]n1 1644543705 DEJPRINDBWMONB-UHFFFAOYSA-N 419.526 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 1654696057 IRXHLIRKPVJBBW-UHFFFAOYSA-N 424.461 1.530 30 10 HDEE Cc1nc2cc(O)nn2c(C)c1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811464 FOUHGXSWHIJOHD-UHFFFAOYSA-N 423.429 1.498 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1656235089 ZSWDXDFDZKODKO-SNVBAGLBSA-N 417.281 1.487 30 10 HDEE N#Cc1ccc(CN(CCO)[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)s1 1656774620 CBJLOUDXVSTMAP-GIRNWQOFSA-N 401.532 1.828 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 1663283721 KFCUHPMXIDDAEW-AWEZNQCLSA-N 414.471 1.906 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1663921121 FDDBAYVSRJLPDU-GFCCVEGCSA-N 416.297 1.046 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1667517817 WZSGGCHLPXYHLN-CVEARBPZSA-N 413.471 1.702 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 1668851773 VCFJCSGXTZSYBT-GOSISDBHSA-N 407.559 1.277 30 10 HDEE COc1ncc(NC(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)cc1C#N 1672970928 FYHBCWGKWYZPJH-UHFFFAOYSA-N 409.446 1.983 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1680388524 CHYSUCNKWKRHIG-FQEVSTJZSA-N 402.539 1.857 30 10 HDEE CC1(C)C[C@@H](NC(=O)NCCn2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)C1 1682197401 UKAIEGGOZSVXJI-AWEZNQCLSA-N 405.503 1.875 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccsc2C#N)CC1 1684567476 LSPRVWVNKHHEFD-ZDUSSCGKSA-N 414.491 1.970 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1689892390 DMHUIDWZEULSNS-SFHVURJKSA-N 407.584 1.904 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1689948284 UZIQUIQVOFQGMG-LJQANCHMSA-N 410.540 1.357 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@@H](C)C2)CC1 1690372428 MVMRXSLUNPDWGZ-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1690483526 RCNPPVBIQVOIMS-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690667347 ZYLJQGQMHTUWCE-CVEARBPZSA-N 419.551 1.814 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cnccn1 1690725358 NJSBOABEETVPNE-UHFFFAOYSA-N 413.507 1.291 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692554257 SNEDFJCJGQUOEB-FUHWJXTLSA-N 415.542 1.263 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1698149958 NHXVCOGTZIZPOO-UIAACRFSSA-N 404.515 1.610 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1705551048 FOTWAQIUZYLGQN-HRAATJIYSA-N 419.526 1.817 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1705571286 YFKJMERXEGJFEF-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)CN(C)C 1705574745 MDVWHAYREAXIBA-QFIPXVFZSA-N 401.555 1.979 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC 1705616774 NGYFVGMSVRBGLE-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705630506 VKCSBWLCSVGZDM-SFHVURJKSA-N 423.583 1.378 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CC1 1705638439 LDTXCDFNLWVFHW-LJQANCHMSA-N 414.554 1.724 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(O)c2)CC1 1705644347 NSBWOIATNGGPKZ-UHFFFAOYSA-N 424.505 1.136 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@H]2CCCCO2)CC1 1705652829 OXAFTCSYKZSIPF-GOSISDBHSA-N 403.527 1.740 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1705751974 DIZKMTBVNMXWTQ-UHFFFAOYSA-N 403.853 1.687 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@@H]32)n1Cc1ccc(C#N)o1 1706593974 ZUZRBFRDIHAGKX-CVEARBPZSA-N 411.466 1.177 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1706681303 XSDWCLLWPOIRND-NQIIRXRSSA-N 420.558 1.778 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC(=O)N1C 1708177322 OWFZEZMLCHCGKW-ZDUSSCGKSA-N 404.421 1.765 30 10 HDEE C[C@@H]1COCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1708259286 CJLYZKISNWUCLB-YESIBHTGSA-N 416.482 1.271 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1OC 1711843473 CPTQQHPKCGIBBA-VLIAUNLRSA-N 414.441 1.737 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N(C)C 1712453238 GVFHPDKGHBWRKM-UHFFFAOYSA-N 400.439 1.128 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1NC(=O)CC1(C)C 1712625154 RXIBWIHWCLMCRW-DLTWYDFYSA-N 404.515 1.513 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cn(C2COC2)nn1 1722277830 BFYHBFUNWSKDES-CYBMUJFWSA-N 408.422 1.522 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722322449 SVUNAUTUQLKPMR-MRXNPFEDSA-N 421.505 1.834 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1722336959 SBYYPMWXHZEITM-CQSZACIVSA-N 405.462 1.674 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1 1722343934 FTYJQIHLYJUBEP-HNNXBMFYSA-N 407.565 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCC(OC)CC2)CC1 1722431294 NRPNDPGHJZQKBM-XEVCZEQESA-N 419.570 1.963 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722451533 KWOFIVLLAAPDFE-DNVCBOLYSA-N 423.539 1.399 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722453210 PJCJSDIUYSUWGT-HUUCEWRRSA-N 421.523 1.677 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)CC1 1722565836 CHSCRYBPIPLCAG-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)CC1 1722581692 KRGJDFHTPOKUQW-INIZCTEOSA-N 404.540 1.559 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC[C@@H]1C 1729220609 CHLCDJKAEZPGIE-AWEZNQCLSA-N 420.564 1.698 30 10 HDEE COCCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730706968 PQXYAXGYZDWWCZ-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1740591114 MXLMYGAKQZBAFJ-HNNXBMFYSA-N 402.524 1.496 30 10 HDEE C#CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740597196 KHFKESMBBATSHS-VQIMIIECSA-N 410.540 1.355 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740622927 LBHXIQPAXDQMQZ-QWXGXRTQSA-N 410.565 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C(C)C 1740629772 ZGIPMJPDVURTQO-UHFFFAOYSA-N 420.517 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)noc1C 1740678131 BFPHFOFZKNTDKR-UHFFFAOYSA-N 409.450 1.665 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CC 1740681407 KEPWDZHFCNEUDG-OAQYLSRUSA-N 400.479 1.963 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2cccn2)CC1 1740697123 SHOODILTGFEMRX-UHFFFAOYSA-N 419.533 1.920 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1cnnn1C 1740897491 JCNFQJAQSOTYLY-UHFFFAOYSA-N 419.493 1.864 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1743209892 VVXOWTXAMWJKNJ-MRXNPFEDSA-N 422.489 1.742 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748196523 NRXIEFHINIZDQM-RBUKOAKNSA-N 424.505 1.319 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCCN(CC)S(C)(=O)=O 1748837621 KSZWLOJZKDQZLK-UHFFFAOYSA-N 413.547 1.998 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[S@](=O)CC 1748855710 IGVAZJABAQSVLX-HHHXNRCGSA-N 403.533 1.111 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1748892725 WBNIKKWQNWZFFI-LJQANCHMSA-N 420.517 1.525 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2noc(CC)n2)CC1 1749014926 PVCOHBBWRHXPAQ-UHFFFAOYSA-N 413.526 1.631 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749228724 CBYMZAKVQABZGW-MRXNPFEDSA-N 414.510 1.421 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749659644 HGFWAJRMDOYFLV-UHFFFAOYSA-N 408.506 1.742 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749664465 OHVLMEXMDKHRIQ-CQSZACIVSA-N 423.443 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1749664600 TZORWKATCOKUPB-QGZVFWFLSA-N 423.521 1.385 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749761584 CFOLRUNCOZNIAH-FQEVSTJZSA-N 418.567 1.964 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C)o3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1749883967 DVFMHJNYEIQABI-HXUWFJFHSA-N 415.473 1.453 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1752476591 INNAWGPYNKGBAX-LJQANCHMSA-N 423.521 1.838 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1760123125 YLORTFZUEORILB-ROUUACIJSA-N 408.506 1.907 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C)n(C)c2=O)CC1 1760265232 SQJAUYLINSGQDS-UHFFFAOYSA-N 410.522 1.423 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCOC2)CC1 1760268783 YIQWQMRBMJYFMP-QHCPKHFHSA-N 423.517 1.371 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1760286287 GZPLWODEXDIODR-UZLBHIALSA-N 421.567 1.259 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760524171 QPMCGAJEUIXROV-AEFFLSMTSA-N 413.526 1.939 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760526456 ACNQTMOPMZZFAO-GOSISDBHSA-N 413.526 1.415 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)CC1 1760532716 CMFCENXRNCSBGR-SFHVURJKSA-N 424.505 1.511 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2O)C1 1760564734 GDPBNVBBWMIHES-HNNXBMFYSA-N 400.508 1.812 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1cnc2c(Cl)cnn2c1 1767958724 AHOXVWHBBIFUAE-CQSZACIVSA-N 416.873 1.482 30 10 HDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCOCC1 1768870557 AUHLUSLIXRAVBD-UHFFFAOYSA-N 410.478 1.552 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(C(=O)c4cnn5ccccc45)CC3)cnc21 1851631940 NHZUDVMKYPGBNE-UHFFFAOYSA-N 413.441 1.691 30 10 HDEE N#CCC1CCN(C(=O)Cn2ncn(-c3ccc(Br)cc3)c2=O)CC1 1852588911 VQNPLWDWPICPFK-UHFFFAOYSA-N 404.268 1.949 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(CCN4CCCC4=O)CC3)CC2=O)c1 1853842723 NOGAAFCOAJTGED-FQEVSTJZSA-N 408.502 1.881 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COCc2ccccc2)C(=O)C1 1853953144 QYZWLXZBSSPABH-UHFFFAOYSA-N 413.455 1.135 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1854195124 DPTLPDHMOXXHQD-LPHOPBHVSA-N 419.472 1.991 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638194 IUNPDTOCQNJIBV-GUYCJALGSA-N 407.467 1.835 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1854831659 PKMIMVYOCTVWKP-SFHVURJKSA-N 408.462 1.593 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)c3ccc(C#N)cc3)CO2)cc1F 1855420936 MZLFEOVQXQQBPJ-AWEZNQCLSA-N 406.391 1.867 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855516503 VECPXKCIEZYGGQ-RTBURBONSA-N 400.523 1.778 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1855552280 CCVNXKRQJYKERN-KRWDZBQOSA-N 409.483 1.226 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)CN3C(=O)COc4ccccc43)C2=O)CC1 1855604664 NNBPYJIYIHBABL-GOSISDBHSA-N 410.474 1.555 30 10 HDEE CC(=O)[C@H](C(=O)N(C)C)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)[C@@H]1C 1855860340 NDANWRJYAQYKGD-YVEFUNNKSA-N 418.881 1.125 30 10 HDEE C=CCN1C[C@@H](C)C(=O)N(C(=O)Cn2cnc3ncccc3c2=O)c2ccccc21 1856084191 HAYHMZFKQDKTGX-OAHLLOKOSA-N 403.442 1.993 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C(=O)C2)C1 1856867378 XNBBJVLSNIYDAB-GOSISDBHSA-N 419.547 1.090 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cccc1 1856897358 XDYWYCDBTDBAAD-UHFFFAOYSA-N 400.460 1.528 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)C1 1857110944 SVQPQPGIDWAIFJ-YPMHNXCESA-N 400.332 1.434 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@H](CN4CCC5(CC4)C[C@H]5C#N)CC3=O)nc2n1 1857220373 QEKQJPAWNGOMJL-HOTGVXAUSA-N 407.478 1.356 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2=O)CC1 1857274412 NALQTLUWNJJBET-LJQANCHMSA-N 405.458 1.268 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccccc2OC)C1)[C@@H]1CCN(C)C1=O 1857282135 RNTUGWCHYBECGN-DLBZAZTESA-N 415.490 1.168 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccccc2OC)C1)[C@@H]1CCN(C)C1=O 1857282136 RNTUGWCHYBECGN-IAGOWNOFSA-N 415.490 1.168 30 10 HDEE CC(C)n1cc(CN(C)[C@H]2CCN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487562 AJFXPVKOTXHYDN-HKUYNNGSSA-N 400.527 1.649 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CCO)CCCC)cc1=O 1870562444 GSLFXIGWNHRMSA-UHFFFAOYSA-N 421.519 1.150 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccccc2Cl)CC1 1870666419 LOSWVKWKOCHLKK-UHFFFAOYSA-N 416.909 1.874 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593597 RSWVOPOQFMRMPC-UHFFFAOYSA-N 413.526 1.001 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)CC1=O 1874273502 HJGDRYJSYZDGNH-FCQRQVBFSA-N 416.507 1.558 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 1888175193 MOWXONUKLNMJKQ-UHFFFAOYSA-N 413.135 1.977 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1902514574 XBLHYKQBWREMPM-QWHCGFSZSA-N 411.308 1.450 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1988011872 CKCJFPIOPGCFSS-LPHOPBHVSA-N 417.506 1.741 30 10 HDEE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](C)CC1=NO 2032025588 SNHIWKDVNRGKPP-UONOGXRCSA-N 407.492 1.953 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2037964746 JAUDMZLUZROZRA-UHFFFAOYSA-N 408.476 1.601 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)cc1C#N 2054402927 JRMGSYFWKMKKRL-MSOLQXFVSA-N 400.460 1.997 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCS)C(=O)O)C[C@H]2COCC[C@H]21 2180629026 IRYHJSLQHDTJOM-XJFOESAGSA-N 402.513 1.538 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243418553 GLLJICKIMKSNGE-UHFFFAOYSA-N 410.280 1.237 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2247278571 JTRFMKKNNOXTJF-ZIAGYGMSSA-N 423.294 1.912 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827757 JOFYIYFDGZWGBL-OLZOCXBDSA-N 418.303 1.543 30 10 HDEE Cn1nc(C(=O)NCC=CCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247922239 DZNDXQMWQCGQAO-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2255615063 IYYSRFKWPUAXAN-KRWDZBQOSA-N 421.310 1.559 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@@H]4CCO[C@H]43)cc2Cl)OC1(C)C 2267355698 HYISSTKSSCOAPL-XXILOJSOSA-N 405.734 1.766 30 10 HDEE Cn1ncc(NS(=O)(=O)CC2(C#N)CCOCC2)c1I 2280048334 DBFWCAHYCCTXFL-UHFFFAOYSA-N 410.237 1.087 30 10 HDEE COC[C@]1(O)CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281947046 RSRLVFNJODAERR-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282063553 NJHXSLOBEGZGLD-KPHLJTLVSA-N 400.375 1.965 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC(Cl)=C(Cl)C1 2282318027 XPMDRRUYVPEVMI-UHFFFAOYSA-N 423.131 1.198 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282338673 PAIMVNFCVKNSBE-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@@H](CN)C2)OC1(C)C 2282491263 KINJZYULTQAVGH-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282493678 XPVFEOFEAOWQEA-SMDDNHRTSA-N 401.721 1.641 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@@]3(O)CCNC3)sc2Cl)OC1(C)C 2282619616 UAYIJMKDUFKCRA-KRWDZBQOSA-N 400.737 1.545 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@]3(C)CNCCO3)c2Cl)OC1(C)C 2282640626 QALMBSIWADJNGM-KRWDZBQOSA-N 400.737 1.809 30 10 HDEE CCOC1CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282831036 DJURBPCXEHGJKP-UHFFFAOYSA-N 402.347 1.429 30 10 HDEE C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834950 OFHXBAOBGREPGD-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](CO)C[C@@H]1C 2282836997 RJGMTZAQXYXKIX-WCQYABFASA-N 401.359 1.747 30 10 HDEE CC(C)[C@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839160 ZSPIWJXYGRUNOX-LBPRGKRZSA-N 404.363 1.126 30 10 HDEE CC(C)[C@@](C)(CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839169 ZVBAFDIMNZTLJH-MRXNPFEDSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(OCC(F)F)C3)c2)OC1(C)C 2282849984 JOHRGODLTDLYEH-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858124 RXVAZUNEQUOMKT-NSHDSACASA-N 402.347 1.050 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284394308 WXQQNSGONRUEIW-LLVKDONJSA-N 403.331 1.825 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1C[C@H]1C(=O)O 2284404092 WHJOUVMHXULSGN-MVWJERBFSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC(F)F)C(=O)O)OC1(C)C 2284408173 SVAUNXZBXXQGLH-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2cccc3c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c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2365628023 IFATYSFEZQMGEL-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2367786992 JMBRKOIAGKYHDY-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CN(C(=O)OC(C)(C)C)[C@@H]1CCOC1 2367794800 JCEXOQPRPCPZCW-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796497 QCUCBMZHCBVLKX-BZUAXINKSA-N 400.541 1.699 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815505 LYFZJKKSIVDOHH-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)CO2 2368927284 BYIULKJMIAWYHH-UARSRXHTSA-N 401.525 1.494 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)C[C@@H]2CC[C@H](C1)S2(=O)=O 2377791735 BDPYZBYIGYZDBO-UUVAVEHKSA-N 402.513 1.610 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1 24709831 BAWLXLPEFGJGPP-UHFFFAOYSA-N 422.551 1.280 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21 33268685 CMCKRNWRSQKTDC-UHFFFAOYSA-N 410.518 1.826 30 10 HDEE C=CCN1C(=O)N[C@H](c2cccc(F)c2)C2=C1CN(CC(=O)NCC(C)C)C2=O 35969026 GFQAJUFDNMXPJF-LJQANCHMSA-N 400.454 1.947 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)c1ccccc1 53559958 DCIXZINLRGSMII-UHFFFAOYSA-N 411.487 1.741 30 10 HDEE CC/C(C)=N/Nc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 59889447 CFZMFSJKQVRNES-OMCISZLKSA-N 415.530 1.162 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)cc1 96352773 SUCVRBCATAFFRQ-UHFFFAOYSA-N 414.439 1.760 30 10 HDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)NC(=O)OCC)[nH]2)c1C 253564650 GTHOMSUVLKGOKQ-CAOOACKPSA-N 406.472 1.615 30 10 HDEE CCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 409480467 WACSFGQMLPGCJW-GOEBONIOSA-N 402.879 1.821 30 10 HDEE CCOC(=O)c1csc(C2CCN(S(=O)(=O)N(CC)CCC#N)CC2)n1 410387099 FXZLVNJCESICAA-UHFFFAOYSA-N 400.526 1.980 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)cc2)c1N 428005434 KTOFSFMIEMFRHB-HEEFCDRUSA-N 401.470 1.565 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NCCOc2ccc(C#N)cc2)c1 434241129 ZLQBKULXSXOGMB-UHFFFAOYSA-N 415.471 1.624 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c1 467534018 ZIPXYKXTOXKHHQ-UHFFFAOYSA-N 417.535 1.777 30 10 HDEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)n1 473794951 OBYOXDPSWOABSU-SFHVURJKSA-N 405.458 1.869 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cc(C#N)ccc1Cl 475540993 NHGZORGTNYGCMW-JTQLQIEISA-N 411.892 1.999 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)c(F)c1 476237099 LVWBMANWFOFNSV-SFHVURJKSA-N 415.469 1.309 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccncc4OC)CC3)cc2C1=O 478476461 ABCYYIZNHCKVFV-UHFFFAOYSA-N 406.442 1.835 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489116830 NBWWTIKXGWNMQD-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 506067272 RIVCQTKAIYFXIU-INIZCTEOSA-N 422.551 1.171 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 507564454 GLCPMHRFIQBMLE-UHFFFAOYSA-N 401.492 1.892 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(C(F)(F)F)nc3ccccc32)CC1 512572909 JNVILZPJBALHSW-UHFFFAOYSA-N 409.412 1.502 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1Cc1ccon1 531684569 SXEBHYKFIYVNKH-UHFFFAOYSA-N 409.442 1.957 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCCN(C)C 535359706 REVWRMFSTTXWQA-INIZCTEOSA-N 400.932 1.582 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn2cc(Br)cnc12 538740655 KFNJWRZPPPGEOL-UHFFFAOYSA-N 407.272 1.180 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 543349809 OJVXMQFSXFSWQL-KRWDZBQOSA-N 416.478 1.686 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 546696942 XUADIJUOHLNWOC-INIZCTEOSA-N 409.552 1.984 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)c2ccc(OC)c(F)c2)c1 548595312 QLBFIOASNLQQIP-KRWDZBQOSA-N 422.434 1.854 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCC[C@@H](CS(N)(=O)=O)C3)cc2)nc1 554296980 XFEYDAUFIVSXFJ-OAHLLOKOSA-N 400.460 1.886 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@H]1CCCO1 562311351 LIHDVESJYKQFJD-LLVKDONJSA-N 409.920 1.053 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(C#N)c(OC)c2)C1 563614659 WFLCPOXUVFDNQF-QGZVFWFLSA-N 416.478 1.510 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3C(=O)N3CCOCC3)cc2C1=O 589397933 LNQUPXBTNOJGGH-GOSISDBHSA-N 411.458 1.322 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 604178080 ICWBQJZENJAXDS-QUCCMNQESA-N 404.486 1.675 30 10 HDEE CN1C(=O)C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(F)c1 611104094 NLJUMRBSVFMRKO-DZGCQCFKSA-N 405.817 1.132 30 10 HDEE COc1ccc(COC[C@H](O)CN2CCN(c3ncccc3C#N)CC2)cc1OC 619558667 SGOQQHNIMNMPHQ-LJQANCHMSA-N 412.490 1.670 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 673848706 YTCMPBBCAQKTJI-GOSISDBHSA-N 410.474 1.947 30 10 HDEE CC1(C)OB(c2ccc(S(N)(=O)=O)cc2I)OC1(C)C 694966384 HAYLQDDBDUEXRA-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 727416682 XLPLXZHAORYCHA-UHFFFAOYSA-N 405.479 1.677 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730142432 OUWDVDAHDJEBOY-KRWDZBQOSA-N 406.552 1.949 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCN1C1CC1 732652408 ZWNUNUWFCLYVIZ-HNNXBMFYSA-N 422.938 1.937 30 10 HDEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732766140 PCWXGANHUFAGBE-RTBURBONSA-N 400.548 1.666 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=S)Nc3ccccc3C#N)CC2)cn1 741170136 PVWYMLAQLOSZLK-UHFFFAOYSA-N 404.521 1.431 30 10 HDEE C[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 749587552 PCIJMYUOJDBEPI-JTQLQIEISA-N 402.270 1.112 30 10 HDEE O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCCN/C(O)=C1/N=CC=CC1=O 755359994 FLAIMBFKCMLTED-NXVVXOECSA-N 423.223 1.542 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)NCc2cn(-c3ccc(OC)cc3)nn2)cc1 756206792 VZZBWIBWMHULHB-UHFFFAOYSA-N 405.414 1.543 30 10 HDEE C[C@@H](O)[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470330 GCGBVQWQAUYYDS-SZNDQCEHSA-N 422.437 1.479 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)cn1 758534842 KFPZXBVXKDEQET-HLLBOEOZSA-N 417.514 1.447 30 10 HDEE CCC1(CC)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@]1=O 769633582 WLAXRHHMZJIMKD-AREMUKBSSA-N 411.549 1.265 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774169647 DFQYAFQZRWYSNM-DZGCQCFKSA-N 410.492 1.605 30 10 HDEE COC(=O)C1CCN(C(=O)[C@@H](C)OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780180033 NFWCFWCYZAZCGW-ZUOKHONESA-N 410.467 1.591 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)cc1C#N 786651450 UWTJYNLLDPYWAT-UHFFFAOYSA-N 410.430 1.197 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C3CC3)nc3c2c(O)nn3C)n1 790105807 BZCNNKHXGVPIAO-UHFFFAOYSA-N 408.462 1.670 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(=NOCCC3CS(=O)(=O)C3)CC2)cc1 790431478 LACFMRWUWAGXMP-UHFFFAOYSA-N 400.522 1.587 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC 796097158 PTIXNMZVHBEIQR-KRWDZBQOSA-N 406.529 1.898 30 10 HDEE COc1cc(C)c([C@@H](C)NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798742030 YYLHJPFMQAHBDC-OLZOCXBDSA-N 401.423 1.457 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800772695 MLVKHUDEPHDULF-UHFFFAOYSA-N 419.555 1.159 30 10 HDEE COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802431616 WLJPCWWGGKDWRE-VQIMIIECSA-N 410.478 1.614 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3COCCO3)n2Cc2cccs2)CCN1C1CC1 802698695 RMLXXMQEVCVWJO-NVXWUHKLSA-N 400.508 1.652 30 10 HDEE N#Cc1ccc2ncc(CNc3ccc(C(=O)NCCN4CCOCC4)cc3)n2c1 809659549 REQYZQBXWLVATL-UHFFFAOYSA-N 404.474 1.880 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 809926664 OQJUFEONGIEHKV-ZIAGYGMSSA-N 406.487 1.084 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812384310 JUSRPQQYQJELIE-IRXDYDNUSA-N 418.519 1.818 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OC)c2ccncc2)c1 1143875436 PGIMLIQFIOMKJF-GOSISDBHSA-N 400.456 1.913 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1144922631 KAGAHLMBBVYQOY-AWEZNQCLSA-N 416.902 1.770 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C 1147411433 XPKBMVNIRSBPPU-SFHVURJKSA-N 415.538 1.579 30 10 HDEE C=CCn1cc(C(=O)N2CCN([C@@H](C(=O)OC)c3cccc(Cl)c3)CC2)nn1 1149755738 BAWCOXDVSWLEGD-QGZVFWFLSA-N 403.870 1.790 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2)CC1 1162785779 BALCPYZPJDZPFC-UHFFFAOYSA-N 402.314 1.809 30 10 HDEE C=CCC1(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCOCC1 1165727444 FERGJMBYODRFOH-SFHVURJKSA-N 412.490 1.778 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCCCCO)CC2)CC1 1174994992 ZNFRMPHHEWJZJT-LJQANCHMSA-N 419.595 1.237 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)C[C@H]3CCCO3)C2)C1 1177981817 QBIJKUSCSFLFES-KVQOCUKLSA-N 407.511 1.819 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC 1195260229 IUIQINAAESQOOM-UHFFFAOYSA-N 414.911 1.853 30 10 HDEE C#CCN(C(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C1CCN(C)CC1 1211141646 GUHDLFHUTXWPLO-UHFFFAOYSA-N 401.530 1.687 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@H](S(=O)(=O)NCC)C1)c1ccc(Br)cc1 1230499551 YSWHLTQOEHKWEF-LSDHHAIUSA-N 414.325 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1cccc(OCC#N)c1 1254697650 RZQQFDYPACZQES-KRWDZBQOSA-N 416.478 1.721 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C1CCOCC1 1280094894 DELNRFUZFWZODB-RBUKOAKNSA-N 400.475 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1286284427 CEXSPUAEGAXXPJ-INIZCTEOSA-N 412.519 1.752 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1286300593 VDAMPRTYJGZNGJ-RISCZKNCSA-N 401.496 1.080 30 10 HDEE C#CCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359875 LSJJVLQKCXEFPD-DENIHFKCSA-N 417.554 1.645 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1286377323 VBQHRUHTUQDQSD-IBGZPJMESA-N 407.522 1.433 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286380062 BHEYOWCMWNLDGP-MRXNPFEDSA-N 415.469 1.561 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383605 YFZGZNWGVSJFHC-YQQAZPJKSA-N 421.567 1.479 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1286404933 ZXRUEMQECMZACE-UHFFFAOYSA-N 403.446 1.238 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1286435711 HBXLZZDNBUDUIR-UHFFFAOYSA-N 405.462 1.615 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286438053 UZVUJRSNNORUJS-XQBPLPMBSA-N 419.570 1.889 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1286521670 BPDAHFXUPJUAGJ-OXQOHEQNSA-N 414.535 1.513 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(N)=O)CC1 1286564647 YHWUADXZDKDZEH-QFBILLFUSA-N 411.510 1.808 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1286755985 FOCBDIPNIYKIBL-JLTOFOAXSA-N 401.467 1.724 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286775601 PUOGJCJTEHFGIK-AWEZNQCLSA-N 415.567 1.609 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2cncn2)C1 1286786636 IBXYVIJCHOIQCS-INIZCTEOSA-N 407.482 1.384 30 10 HDEE C#CC[C@]1(C(=O)NCCS(=O)(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1289287409 ASMQRJPTAKJEOC-LJQANCHMSA-N 413.540 1.321 30 10 HDEE CC1=CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1290263227 AIBKKTWBDTULPL-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc(CN3CCOCC3)cs2)c1 1291738795 PAZCHNMDQUNRBT-UHFFFAOYSA-N 424.479 1.664 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@H](C)N2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C 1292986395 KVHFGEJISOPDNZ-AVRDEDQJSA-N 406.571 1.922 30 10 HDEE CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294280218 IUNHIMWRQJSFKU-CYBMUJFWSA-N 416.507 1.515 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1296066648 DXTGQKITVREAPQ-HLIPFELVSA-N 420.583 1.795 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1298915374 AFGRATFPAKZEPH-INIZCTEOSA-N 423.477 1.230 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1300401123 NGZSTEUFJPGGID-UHFFFAOYSA-N 418.567 1.947 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)COCCO1 1300433010 VWFHSBIOVXBLHV-FQEVSTJZSA-N 417.897 1.736 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1300509484 MOFJMUOFBWAAHF-ZWKOTPCHSA-N 420.583 1.226 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@H]2OC)CC1 1300681879 DPNOPGNBFWAIRU-IEBWSBKVSA-N 416.570 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)COC)CC1 1300892987 XDDVYFOXPGFTNJ-UWJYYQICSA-N 417.554 1.943 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301222895 IUJHJAGVVASCEO-GDBMZVCRSA-N 422.555 1.187 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCO)c(OC)c1 1301262007 NWLPYKMKIJKNRH-UHFFFAOYSA-N 415.494 1.564 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1301270177 DULUACVKMGBMSO-FQEVSTJZSA-N 404.467 1.745 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301491749 XQCNRANWQRCCSE-MRXNPFEDSA-N 401.515 1.765 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCSc2nccs2)CCO1 1303005002 VTVXURWANLCMIH-QWHCGFSZSA-N 419.536 1.597 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1312354092 SILIJDBTRIOYKU-AWEZNQCLSA-N 403.545 1.922 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)NCCN3CCC4(C3)OCCO4)CC2)nc1 1313324837 FHCLCRALWFIBGT-UHFFFAOYSA-N 415.494 1.391 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN(CC)C2CC2)CCOC1 1314110742 AJGOISBABKSNKN-WOJBJXKFSA-N 406.506 1.856 30 10 HDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315817727 WWHUPIRRVZIVAO-QGZVFWFLSA-N 422.468 1.918 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1 1318074136 NORPEFWZVDDFHL-IRXDYDNUSA-N 408.433 1.511 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1358885430 KBWNNDIUPAOFPZ-JLTOFOAXSA-N 413.503 1.434 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1358962933 ZGKMSHZBRBUCGD-QGZVFWFLSA-N 418.494 1.978 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358963118 CDGYSYMDFGJVDG-GOSISDBHSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358988478 QOJRQJTYVBGXKF-QGZVFWFLSA-N 415.519 1.591 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2cncn2)CC1 1359032192 GGLYSHHTSIHGQP-UHFFFAOYSA-N 414.876 1.785 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC[C@H](F)C2)CC1 1359044812 PDNBNAYBLPRWKM-JQHSSLGASA-N 403.502 1.886 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1359055696 MUXCAXNCHAJJNJ-ZDUSSCGKSA-N 416.473 1.280 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359197270 JNWRQJZDQWFFSI-FQEVSTJZSA-N 421.567 1.885 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@H]1C 1359300885 MAOYGNCVWRPPSS-DLBZAZTESA-N 424.553 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2ccc(O)cc2C1 1359336072 DWARQHCABUJHPF-GOSISDBHSA-N 418.519 1.999 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cn2)C1=O 1359870908 FLQJCCVRHDPCRW-UHFFFAOYSA-N 404.386 1.540 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1360784599 IBSQTIGFNIAHDL-YJBOKZPZSA-N 407.540 1.615 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)OCC 1454708179 CPKKJTAAPKXFHC-AWEZNQCLSA-N 424.853 1.824 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCC)cc2OCCC)CC1 1455114987 JSXNTNYNGDNLDT-UHFFFAOYSA-N 423.535 1.490 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(O)(COCCO)CC1 1455932942 LAFBQJUJHCCDOA-UHFFFAOYSA-N 401.463 1.413 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C[C@@H](O)COc2ccccc2C#N)CCO1 1460561802 XDTCAXNVOVIIHP-DYESRHJHSA-N 406.479 1.357 30 10 HDEE Cn1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnc1C1CC1 1461506037 SOBNHEBCODERGS-UHFFFAOYSA-N 414.491 1.604 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 1462498852 CMIXDTFDRFMLHF-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCC1 1464606663 BGWMYNDWLRCIAX-GOSISDBHSA-N 406.504 1.889 30 10 HDEE C#C[C@@H](NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1467986128 KDCPYEHRBPKKRF-JOCHJYFZSA-N 414.550 1.935 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1 1469377568 WHISQFGLZLDQPY-MSOLQXFVSA-N 400.523 1.927 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)s1 1469690179 QULJFCCAMAQFEX-UHFFFAOYSA-N 418.500 1.077 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)C(O)[C@H](C)C1 1469967294 DTGLEOALWLPOFG-SDUBRBAJSA-N 407.536 1.615 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)c1 1471528845 ZFYABUXBJGMDJO-HXUWFJFHSA-N 408.483 1.966 30 10 HDEE CC1(C)C[S@@](=O)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1473387852 CTWMJNNWFWJDLV-WRHNGFHOSA-N 406.527 1.377 30 10 HDEE N#Cc1ccc(N2CC[C@@H](N3CCN(c4ccc(F)cc4C(N)=O)CC3)C2=O)cc1 1473665258 AGWJQRHYKAUPFL-HXUWFJFHSA-N 407.449 1.724 30 10 HDEE C#CC1(O)CN(CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OC(C)(C)C)C1 1473860897 JDNXDSNAJCBSQY-UHFFFAOYSA-N 422.503 1.807 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)Cc3cccc(C#N)c3)C2)ccn1 1475477540 BRDGFOWWYGCYBR-GOSISDBHSA-N 414.487 1.686 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2cc(-c3ccccc3)nn2)c1 1475796488 OOZKVBJEULURLH-UHFFFAOYSA-N 411.487 1.839 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCC1(C#N)CCCCC1)CCS2(=O)=O 1478988328 MWPFMEZFHKUWPG-HVEKOLDVSA-N 411.524 1.659 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCN3CC=CCC3)CC2)c1C#N 1492726963 CLRQKIFJEDESHV-UHFFFAOYSA-N 423.569 1.904 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCOC(C)C 1505082594 RJVDBKUXVFZBDF-BZSNNMDCSA-N 407.515 1.936 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1507617159 RLCJHACCBKITHN-CABCVRRESA-N 407.565 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(C)(=O)=O 1507664856 QACBDNZZYOXMOQ-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC(C)CC2)CC1 1507731513 KLIIWMOONWSYEF-VQTJNVASSA-N 400.571 1.658 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1508047367 GRROVUNIASOROV-UHFFFAOYSA-N 424.505 1.411 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CCOCC2)CC1 1508082752 WTUOZOPUXXUBHR-UHFFFAOYSA-N 424.549 1.857 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1509805850 NJOFRTHGMCJZLY-PMACEKPBSA-N 422.505 1.629 30 10 HDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)n1 1511150737 POXGEOJNZZKRNA-UHFFFAOYSA-N 405.462 1.954 30 10 HDEE CN(C)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517016303 PSICDEXJIUNGIP-UHFFFAOYSA-N 422.493 1.386 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)C[C@H]1O 1517689706 NWRCRAFDGTUZQW-KBRIMQKVSA-N 415.519 1.928 30 10 HDEE COc1ccc(OC)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1518316005 ASRBCOYKMUDPQK-HXUWFJFHSA-N 416.457 1.924 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCn2ccnc21 1519329939 XILZTDWJQQQZDA-BRWVUGGUSA-N 415.498 1.505 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)ccc1OC 1521517074 GCEOEYHXNYHKQI-JKSUJKDBSA-N 409.508 1.664 30 10 HDEE Cc1c(C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)cnn1CCC#N 1524028207 ASQGJXCWRQRLES-UHFFFAOYSA-N 403.455 1.237 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1530083937 HTDLGZYCEITLSF-GOSISDBHSA-N 417.531 1.415 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1535416934 APBOCTTUKOTHJE-UHFFFAOYSA-N 417.462 1.471 30 10 HDEE N#Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)nc2n1CCOC2 1537680666 ZRVXQGAIKFDHEY-UHFFFAOYSA-N 419.438 1.461 30 10 HDEE N#CC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1538301486 ADHFKZKHJYYPQX-CQSZACIVSA-N 406.382 1.972 30 10 HDEE N#C[C@@]12CN(C(=O)C3(c4ccccc4Br)CC3)C[C@H]1CS(=O)(=O)C2 1538540098 RFFBPOPBPPLKBP-LRDDRELGSA-N 409.305 1.877 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1539153918 KQFBBVSCPWYNDQ-NRFANRHFSA-N 413.526 1.754 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCN(C)CCOC 1539170703 BCFJAIKTTWSEEU-UHFFFAOYSA-N 423.521 1.323 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539215632 HIXDJKFBQWMDMI-HZPDHXFCSA-N 403.508 1.310 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1539230191 CLNKCHNUFNTQES-GVDBMIGSSA-N 424.592 1.900 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(N(C)C)nc2)n1 1539423742 FDWRLMNFMQHYNK-UHFFFAOYSA-N 408.510 1.579 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1539517469 OEYPPLLBHKPGDV-BRWVUGGUSA-N 424.592 1.409 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCN(CC)S(C)(=O)=O 1539552535 TUVSWNKGHQQACB-LJQANCHMSA-N 419.555 1.342 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)CC2)c1 1540001843 WHJOZEBKUVLPLT-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCOC1 1540194385 MKDWNWPCTMCVIK-KRWDZBQOSA-N 424.509 1.986 30 10 HDEE CC(C)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541242960 ZZNDIIGRWNVAHY-QGZVFWFLSA-N 416.551 1.770 30 10 HDEE COC[C@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1544646218 YYBAYBNBLMPKJX-LAUBAEHRSA-N 403.479 1.906 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1545096079 HAGFEAZCVDUPEQ-YRNRMSPPSA-N 416.505 1.620 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F 1545776527 GPGRDYXPMIKSSP-OLZOCXBDSA-N 424.452 1.934 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1548128049 HBBHVXGHMFYWIJ-SFHVURJKSA-N 422.486 1.213 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 1556346726 HQXZZEXDTKGSPI-HRAATJIYSA-N 405.495 1.000 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN(CC(F)F)C2)s1 1558088843 FUUNYMRWBWLKCX-LBPRGKRZSA-N 407.508 1.458 30 10 HDEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564510197 ZYEGNUYYFKYVES-AWEZNQCLSA-N 409.446 1.516 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)NCCNc1ccc(C#N)cn1)C(F)(F)F 1565252645 SVBZJGPUIQZWMJ-LBPRGKRZSA-N 419.429 1.892 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1565429367 SBPMXGKFWDOSJE-RLLQIKCJSA-N 419.533 1.914 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1OC 1584308810 XIXPMZHFQGNVPW-CQSZACIVSA-N 405.451 1.480 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1584687349 TXNKOJKZZYFJAU-OAHLLOKOSA-N 419.445 1.576 30 10 HDEE C#C[C@H]1COCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1584771544 XYQGOPUTESRCGC-IBGZPJMESA-N 401.507 1.874 30 10 HDEE Cn1cc(-c2cccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)c2)nn1 1585149258 YPWDICDUFRMEEE-UHFFFAOYSA-N 424.486 1.940 30 10 HDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CN1CCOCC1 1586802989 STIVPOLKMGNFPU-KYMGHPBBSA-N 420.554 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1587550450 MWNIOSVCBICFOO-INIZCTEOSA-N 400.527 1.621 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC)[C@@H]1CCS(=O)(=O)C1 1588064424 HZGSEJVNLJWWQX-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1588751135 IUJJCWAOYHPRGT-GCJKJVERSA-N 417.554 1.501 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589559534 SSPKBKZKEUJLKZ-TVKQPGBESA-N 404.511 1.572 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N2CCNC2=O)CC1 1589567156 AWEIFDNMEJUAHL-QFBILLFUSA-N 418.542 1.790 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1OC 1594961722 FAAVRYLRXUVIPI-KRWDZBQOSA-N 421.523 1.290 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1595303564 VGTPAVNTVDKKSX-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1595785361 YBUMCUXGPSMQRP-ZWKOTPCHSA-N 417.535 1.946 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccnn2)CC1 1595866487 MPSMHSMVQSWBRV-UHFFFAOYSA-N 411.539 1.714 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCOC(=O)N2)c1 1596612549 WAZFNCQAZWZDAL-MOLDEKSUSA-N 408.480 1.717 30 10 HDEE C[C@@H](CC(=O)NC1CC2(COC(C)(C)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1603287208 ZCWKTHIESGFFSS-LTQQYIGLSA-N 405.520 1.968 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1613558406 ATHAOSOPJDOMRH-LDLUVENISA-N 424.546 1.940 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 1615208516 BUPUJZOPKOMKDY-HXUWFJFHSA-N 416.953 1.588 30 10 HDEE CNC(=O)CCCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1618751146 BMIWMWHIIBWHIC-UHFFFAOYSA-N 410.482 1.615 30 10 HDEE C[C@]1(NC(=O)C(F)(F)F)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1620522274 FSKNAFCIQORLQI-SFHVURJKSA-N 420.395 1.825 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)cc1 1622162130 HKRJHEWHQRMBHI-UHFFFAOYSA-N 408.501 1.917 30 10 HDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CCC1 1623269741 USHZZCHKASQDQX-UHFFFAOYSA-N 420.535 1.841 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2cccc(F)c2Br)CC1 1627015401 QOBKBAOOYNDLTI-UHFFFAOYSA-N 424.314 1.805 30 10 HDEE COC(=O)CC1(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1628991839 JKLPUMQZFFXIOR-UHFFFAOYSA-N 408.495 1.865 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 1629637514 USZSEHUYBDSQHK-MRXNPFEDSA-N 404.422 1.971 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1Br 1629947428 BRERAOBXRWPACN-PIGZYNQJSA-N 421.251 1.194 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1630276435 LIYPLWNDKVZGCL-WBVHZDCISA-N 409.508 1.724 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC(F)(F)CNC(=O)OC(C)(C)C 1631744562 HBKGJQKRXORNBF-ZDUSSCGKSA-N 424.452 1.935 30 10 HDEE C=CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@H](C)COC 1632751690 FZSISWXEEDRJTR-QAPCUYQASA-N 400.479 1.586 30 10 HDEE CCOC(=O)CON=C(C(=O)Oc1cccc(NC(=O)C(C)C)c1)c1cc[nH]n1 1633364972 GNVLIGBAKDZXSB-UHFFFAOYSA-N 402.407 1.894 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)c1 1634990116 WRAKOGTVLBLBPP-UHFFFAOYSA-N 402.394 1.330 30 10 HDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)c1cc(C#N)cc(N(C)C)c1 1637079966 FVWVZWOXNPMBAR-UHFFFAOYSA-N 402.476 1.934 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(CC#N)C1 1638967550 BOKXFKGTELLEAU-PGRDOPGGSA-N 416.522 1.889 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1F 1639274217 HYEMEVATWFTRMP-KUHUBIRLSA-N 417.387 1.796 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)C2)C1 1643563080 YTGTXIRIRJEXBW-JBLFJGJOSA-N 416.522 1.900 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cc(F)c(N3CCOCC3)c(F)c2)c1C#N 1648430271 LWFLQALNRAZVFW-UHFFFAOYSA-N 404.421 1.800 30 10 HDEE CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)CCn1cc(C#N)c(O)nc1=O 1648540360 UCNUAXKGQAAZNU-UHFFFAOYSA-N 417.466 1.259 30 10 HDEE COC(=O)[C@@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCOC1 1648881091 YOLWTZDZZJECPM-SJORKVTESA-N 403.454 1.856 30 10 HDEE COc1ccc(CNC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)cc1C#N 1650989591 HNAHXKVWBUXYDO-UHFFFAOYSA-N 408.414 1.761 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@H](O)[C@@H]3C)nnc12 1651217704 ABSJWHDZARDKCQ-BBRMVZONSA-N 413.503 1.694 30 10 HDEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCC#C[C@@H]2CCCCO2)c1 1653540677 QHTACOMPFHNARR-KRWDZBQOSA-N 413.503 1.848 30 10 HDEE CN(C[C@H](O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)OC(C)(C)C 1653622824 HVFODZLJDZDJPS-HNNXBMFYSA-N 405.499 1.773 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc2ccccc2nc1O 1653955249 RBWBOCXHLYMEKI-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC#Cc2ccc(F)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1656358994 STWLRQCZFAPFPI-MSOLQXFVSA-N 408.495 1.896 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C[C@@H](O)COc3ccccc3C#N)CCO2)cc1 1659555073 GJVOTOGORIVGHE-WIYYLYMNSA-N 416.499 1.775 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CC1 1661038846 IASONLJVDBMIKA-UHFFFAOYSA-N 417.528 1.307 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 1667673262 YTVASALOVDZCON-UHFFFAOYSA-N 407.370 1.759 30 10 HDEE N#Cc1cc(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)c(F)cc1F 1673966801 AWNJIJXEAYXOMC-JTQLQIEISA-N 401.416 1.854 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2)c1 1682384391 CZUFQFDSOSTYDW-YADHBBJMSA-N 411.550 1.763 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1686083883 FFAQWAWZLJBCBC-LJCCNALRSA-N 413.522 1.851 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 1687617076 ONXVJJSLFIOZIJ-UHFFFAOYSA-N 406.508 1.535 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1689907602 DTHPKVGJTJUJNL-RBUKOAKNSA-N 414.554 1.475 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1689945564 GAJMPKCWMVWNHP-JKSUJKDBSA-N 420.539 1.388 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(F)c2)CC1 1690142528 PRWYLXJZLYCTPC-UHFFFAOYSA-N 419.464 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690244128 UAKDLSJIYLNDRB-NUJGCVRESA-N 417.535 1.945 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690464778 KJPOFMXEGQRRRB-KXBFYZLASA-N 409.556 1.499 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690486788 UEPOXWUDTDZYPY-QGZVFWFLSA-N 418.567 1.996 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690524216 BLOCAYLYPLGQQS-CQSZACIVSA-N 415.498 1.106 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCCC2)CC1 1690672924 IGESPDRVZKXUTK-UHFFFAOYSA-N 409.538 1.631 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1693822585 LLUYLVNARYCHTO-SKRHAUIRSA-N 421.505 1.883 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1696442824 NIKGLOCOCQIEBC-IBGZPJMESA-N 416.501 1.960 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1698486845 SVGKZQNXVCNAEJ-KRWDZBQOSA-N 418.461 1.545 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[C@@H]2COCCO2)CC1 1705645712 BJDZYIDNSAVZFU-HXUWFJFHSA-N 423.517 1.716 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1705653773 PPOVSWGMQXMIRF-UHFFFAOYSA-N 416.526 1.853 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1cnn(C)c1 1705699100 CHIANSRVENSCEU-LNLFQRSKSA-N 413.526 1.970 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1705873439 ITQXHDZXFBXWAW-AWEZNQCLSA-N 400.508 1.899 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705900894 SNHNIYDEPVVSQZ-MRXNPFEDSA-N 412.542 1.291 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCC(=O)N1 1705909353 UUJQKYHMIUOXRV-NEPJUHHUSA-N 406.397 1.052 30 10 HDEE CC(=O)Nc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1706006937 LCVSOVKVQSLXCD-UHFFFAOYSA-N 417.477 1.582 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1712875500 DEDJNRHUOUDQPO-RVKKMQEKSA-N 411.503 1.786 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)OC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1722167382 AMQYKUORMJRVOR-WMDQAZIPSA-N 402.535 1.924 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1722367147 KPSJWGFWCRFRPW-IBGZPJMESA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722399714 RNXMMFAVDWBCBN-HSZRJFAPSA-N 402.502 1.738 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1722416665 OQAWZHUOVYIVQQ-UHFFFAOYSA-N 414.535 1.680 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[C@@H]2COCCO2)CC1 1722439504 FCJIGDDAWXFBNZ-GOSISDBHSA-N 401.536 1.491 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)c2ccccc2)CC1 1722441472 RFVOPCAPEPXHJX-UHFFFAOYSA-N 421.549 1.292 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722530444 UCMPAWPJCCWWES-LJQANCHMSA-N 421.505 1.965 30 10 HDEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1722605557 LLFWEFZCMBWGFR-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nnc(C)s2)C1 1722711252 SYBNOZQLDCIGKV-KXBFYZLASA-N 420.539 1.920 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1726636879 BJYROVGVCMDKOE-QGZVFWFLSA-N 405.506 1.746 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1730537750 XAVQSKAOJOOCPD-HXUWFJFHSA-N 413.482 1.827 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCN2CCCCC2=O)cc1 1731184524 COFSNXDDMATTRX-UHFFFAOYSA-N 424.505 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1740545809 QCGAUQCXKFFZDZ-OAHLLOKOSA-N 414.491 1.511 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740571631 QUMPMPBSNXGCOI-RTBURBONSA-N 414.554 1.581 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1740616243 WOXWTOCGAJOIIS-WMZOPIPTSA-N 408.466 1.096 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740623596 XITBXKJNACLMCD-LJQANCHMSA-N 414.531 1.999 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@H]1C 1740636763 BZOMLCPBJMXQDL-FDDCHVKYSA-N 416.485 1.744 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H](C)OC)CC1 1740692174 FPVCJDIISNWIMR-CYBMUJFWSA-N 407.316 1.826 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1740732500 FLYNWQPVNMGULO-HSZRJFAPSA-N 421.549 1.420 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1740896826 KCWASQKDDZWZRJ-UHFFFAOYSA-N 417.477 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1740958776 HDBXDMWLOUXWOB-CQSZACIVSA-N 407.478 1.430 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)C1 1740973239 STUJQNHLSQBBBX-ZIAGYGMSSA-N 401.533 1.095 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1Cc1ccc(C#N)o1 1747181320 MGYZGFBGDUFGQB-UHFFFAOYSA-N 415.498 1.958 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnn(C)c1 1748950965 RVIQPJJFDBGBTB-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC1 1748972405 HZSUXVMZUPZVHL-KLAILNCOSA-N 422.599 1.641 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749103541 AWOGSCZBMLEEJR-UHFFFAOYSA-N 419.331 1.989 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749246857 HXTMWYGEIYFXOY-ZDUSSCGKSA-N 407.862 1.536 30 10 HDEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1)c1ccccc1 1749382922 QBDFLJXGGQNHLS-LJQANCHMSA-N 422.533 1.874 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 1749670956 WXPZZQAMZBFHRO-UHFFFAOYSA-N 404.559 1.470 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1749721428 JQMGARFFWDBFII-UHFFFAOYSA-N 419.551 1.998 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749740784 JZGMPQQFSIMGTP-GOSISDBHSA-N 408.528 1.366 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1=O 1749874806 WUJYJBJPXGQQIB-IBGZPJMESA-N 422.489 1.457 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(CC(F)F)CC3)n2CCOCCCO)c1 1750381688 AUSTXTQTMBKNHT-UHFFFAOYSA-N 420.464 1.603 30 10 HDEE CC1(C)SCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1751301122 GTOHXVHYDRREQI-LSDHHAIUSA-N 404.540 1.661 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760137407 JLEFCNGJUOAOSZ-SFHVURJKSA-N 423.583 1.741 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSc2ccccc2)CC1 1760259675 FVIUENXVBRIRMO-SFHVURJKSA-N 410.547 1.777 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760272572 OVFNZRBXMUXXHG-MRXNPFEDSA-N 411.597 1.772 30 10 HDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1760376132 GGARGFPFIYWGCS-UHFFFAOYSA-N 419.885 1.885 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760451083 ZFLBULCIRLNTBO-BRWVUGGUSA-N 408.499 1.125 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760520494 PMJHBHVIZTVYRG-HOTGVXAUSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1760527105 YXLKUPZKLZPXEP-MRXNPFEDSA-N 412.494 1.135 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC)[C@H](C)C1 1760555888 PYOFVODDVMVJCC-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCC[C@H]1CO 1761211158 IIRQBMQFSLWZLE-SFHVURJKSA-N 417.558 1.393 30 10 HDEE CCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764372835 YCPZLPADKKDATR-JKSUJKDBSA-N 414.514 1.789 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767491160 TVAYNBTVTFGZPW-CZIZESTLSA-N 420.477 1.550 30 10 HDEE CCOCc1nnc(N2CC[C@@](C)(CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767819420 XECWSUPUDPXRCH-CECJQHFESA-N 402.499 1.967 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)SC)CCO1 1769241426 BJDFMUJHMGCXFP-MRXNPFEDSA-N 414.535 1.910 30 10 HDEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772789044 NBASLWKICOYMAL-UHFFFAOYSA-N 400.391 1.813 30 10 HDEE CCN(CC)CC#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1850103554 YNZZCVNLMKRJHY-UHFFFAOYSA-N 409.527 1.688 30 10 HDEE C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1850523152 LYJKRQLCGPLDON-INIZCTEOSA-N 424.501 1.801 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@H](c1ccccc1)N1Cc2ccccc2C1=O 1851542805 FBAWNMLAZYAGGU-QFIPXVFZSA-N 403.482 1.836 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1853687045 FLGBNEUGZIUJPH-AWEZNQCLSA-N 411.384 1.784 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1=O 1854186762 UUNVHHIYQRVWAU-JKSUJKDBSA-N 405.882 1.808 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(Cc4ccccn4)CC3)C2=O)c1 1854204632 UGADCAJBGATDIF-NRFANRHFSA-N 403.486 1.902 30 10 HDEE CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)C(C)(C)C2=O)CC1 1854458527 VFVMPPDSYSQKMM-UHFFFAOYSA-N 418.519 1.038 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)[C@H]2CCCS2)C1=O 1854880987 MSBZILCZJVHFEG-IAGOWNOFSA-N 414.535 1.272 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CC[C@@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1855107164 BIORGTISHVFCHS-UTKZUKDTSA-N 400.454 1.500 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(-c3ccncc3)nn2)CCN1Cc1ccc(C#N)cc1 1855601209 ZPPDLZLITPJXBA-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4cc(C)on4)CC3)CC2=O)CC1=O 1855752553 ADCKFAONPXTAAH-ROUUACIJSA-N 414.506 1.605 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(Cc3nnc(C)o3)c3ccccc32)CC1=O 1855900681 UCNHBGHQTGWKHD-HNNXBMFYSA-N 409.446 1.682 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)c1 1855907118 VJONRVOZPMVDOZ-RTBURBONSA-N 408.502 1.959 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1856095746 MNZHGOPODBHCTQ-QGZVFWFLSA-N 419.547 1.968 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)s1 1858323829 QUZUHOXPTVELOP-CQSZACIVSA-N 411.530 1.670 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 1862557977 OCJOWGRAZZRKME-SFHVURJKSA-N 424.413 1.891 30 10 HDEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCC(C(N)=O)CC1 1870667635 IWGQYYNUUUKPGQ-UHFFFAOYSA-N 420.554 1.770 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1 1891267832 INIBLNGIGFWOPO-KRWDZBQOSA-N 403.442 1.981 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 2118171731 XNABKNFEZSOWAS-UHFFFAOYSA-N 400.526 1.451 30 10 HDEE N#CC1CN(S(=O)(=O)Nc2cc(C(=O)O)ccc2I)C1 2164589390 NCMJSASNCOHJAT-UHFFFAOYSA-N 407.189 1.101 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C[S@@](C)(=O)=NS(=O)(=O)N1CC(C#N)C1)C(C)(C)C 2174781070 BNHJMVWYROKJQN-WHDAMIPWSA-N 422.573 1.724 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC(O)(CCNC(=O)OC(C)(C)C)CC1 2174783199 ZIXFWJDILJNEHK-HNNXBMFYSA-N 403.545 1.854 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C[C@@]12CCOC2 2174784556 PIVFFGGHVMEFHL-RVKKMQEKSA-N 401.529 1.870 30 10 HDEE COC[C@@H]1CC[C@@H](n2ccnc2CCN2C(=O)c3ccccc3C2=O)C[C@]1(N)C#N 2183615892 IIKSQMQCQMELFB-DMPWYTOCSA-N 407.474 1.930 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F 2186675942 LBDAFPXQKOBXDS-NEPJUHHUSA-N 412.434 1.560 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)CC2(C#N)CCCCC2)C1 2190121995 SKGSPTLLTRYNEN-SFHVURJKSA-N 401.529 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](N2CCN(C(=O)C#CBr)CC2)C1 2213739184 LCTDVOJOUTYPIE-UONOGXRCSA-N 400.317 1.932 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243399102 WQPZTNZJQKCMCM-CHWSQXEVSA-N 404.276 1.171 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2244597459 HLMPYQGKKFPEFB-KBPBESRZSA-N 410.320 1.909 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826158 PEWDKHNMZFDSSD-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE C[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)C(=O)OC(C)(C)C 2247912297 DZMZAJPEFRYMJK-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247917950 MRCAMMRZUTVHJQ-KGLIPLIRSA-N 420.319 1.598 30 10 HDEE Cc1c(C(=O)N2CCCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282053710 JVGKKMOYFZWSSZ-CQSZACIVSA-N 405.304 1.395 30 10 HDEE COC1(C(N)=O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282065270 AFFFXUNWCGFXRJ-UHFFFAOYSA-N 400.693 1.027 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](O)C1CC1 2282322410 LSCWZWKZLMZCGD-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](O)C1(C)C 2282323345 ZFWCUXKOVMWTPN-STQMWFEESA-N 401.359 1.793 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CN 2282418088 GKKUROMBYASBFY-PXAZEXFGSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3CC(CN)C3)ccc2Cl)OC1(C)C 2282491300 KLCNTPGRCUWXQE-UHFFFAOYSA-N 400.737 1.655 30 10 HDEE C[C@H]1CNC[C@H](C)C1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494780 CHYRBOOGGWAWTF-RYUDHWBXSA-N 400.375 1.570 30 10 HDEE CN(C)[C@H]1CC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506569 UIMREPXOCVTLAD-KGLIPLIRSA-N 400.375 1.559 30 10 HDEE CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC(O)C1 2282506716 WMJGWAZXQJWDFZ-UHFFFAOYSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@]23CCOC3)OC1(C)C 2282835632 XMNWFNXQNQCIQQ-LRDDRELGSA-N 400.331 1.041 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@]3(C)CO)c(Cl)c2)OC1(C)C 2282842001 RGNNOJLDPQZXIO-KRWDZBQOSA-N 401.721 1.785 30 10 HDEE C[C@H]1CNC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854685 UZDQKWKNCWEYRH-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284395572 MWBJNTMJEXKWPM-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284416760 BQBZGOHAUFNDJB-JTQLQIEISA-N 401.315 1.674 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3COC[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284417948 RZMQSLQLHSJJFR-SCZZXKLOSA-N 401.677 1.530 30 10 HDEE COc1cc([C@@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)ccc1O 2296944616 APCSXNCAMNJRKN-QGZVFWFLSA-N 419.455 1.893 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CC[C@H](C#N)C1)[C@H]2F 2358233475 GPGPMCRUWRBDIP-NIFZNCRKSA-N 402.492 1.545 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2C[C@@H]2CC(=O)O)OC1(C)C 2360944397 RNTNKBQXMKBNSC-MNOVXSKESA-N 401.315 1.436 30 10 HDEE CC[C@@]1(C)[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2361945935 DOBGLZPFYACHIU-DYVFJYSZSA-N 401.359 1.971 30 10 HDEE CC1(C)C[C@H]([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365173389 RTDZSVLNORUPRM-UKRRQHHQSA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367812598 VKJJTXYYEYIZKL-HRCADAONSA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 2367823970 SBAZQPPSPDGHSO-HNAYVOBHSA-N 400.541 1.307 30 10 HDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc3c(cc21)OCO3 13789731 WCBGAUOPNZPFTA-VHEBQXMUSA-N 421.500 1.164 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3cccc(C#N)c3)cc2)CC1 14867898 JYELJUYWKKIDIU-UHFFFAOYSA-N 420.516 1.295 30 10 HDEE Cc1nc(N/C(N)=N/C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)nc2ccccc12 103818820 RXRJTYOKXBFRRR-GJZGRUSLSA-N 408.462 1.757 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2ncc(I)cc2=O)cc1 158594612 DJGISLPVBABDSM-UHFFFAOYSA-N 415.212 1.193 30 10 HDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2cc(OC)ccc2OC)[nH]1 253571062 OLTIZNHQTHDXHD-CAOOACKPSA-N 408.440 1.633 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2nc3cccnc3s2)CC1 410428571 ZBNPEPJYXYXLDP-UHFFFAOYSA-N 413.484 1.710 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 435644195 GWTQURXDIPNDGX-KGLIPLIRSA-N 406.464 1.926 30 10 HDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 461744675 GBKBVYZBKSCEGB-WMZOPIPTSA-N 407.478 1.410 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(C)c(C(=O)OCC)s2)CC1 465370959 IPHRATRFQDNDFU-AWEZNQCLSA-N 423.539 1.319 30 10 HDEE CN(Cc1nnnn1C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 467040005 GAMGBEVPMQPYBL-UHFFFAOYSA-N 401.481 1.889 30 10 HDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2ccc(C#N)s2)c1=O 484426965 DFZBDSIYEBHLBH-UHFFFAOYSA-N 415.540 1.346 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486014064 BOJHVLFOOZFMLZ-LJQANCHMSA-N 406.442 1.214 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)nc1 492170945 YHLYULSWKIXLIT-UHFFFAOYSA-N 404.879 1.729 30 10 HDEE C[C@@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[S@@](C)=O 493926136 APXDYRWRGJCNIP-RMKBEBRYSA-N 411.549 1.232 30 10 HDEE N#CCC(=O)N1CCN(C(=O)COc2ccc(I)cc2)CC1 503623571 DRNZBIIPQWUXAR-UHFFFAOYSA-N 413.215 1.254 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(=O)OC)C1 508508632 XJIJOMPYCAAPDJ-HNNXBMFYSA-N 404.492 1.924 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 508799578 ABMCIQOXAZSGND-MRXNPFEDSA-N 409.494 1.950 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2CC(F)F)CC1 513382623 YBACCVDTBGAJDU-ROUUACIJSA-N 410.440 1.891 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 518302578 GVTPUGQJLSMDHI-SFHVURJKSA-N 412.471 1.414 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 524497041 HOMVNVDXFNQJEW-NRFANRHFSA-N 416.522 1.784 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@@H]3CN3CCOCC3)CC2)o1 530490575 VLCAWICGFRDFSY-GOSISDBHSA-N 401.511 1.784 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCOc1ccc(NS(C)(=O)=O)cc1 538052159 QBIRNGPOMHVSND-CQSZACIVSA-N 403.460 1.892 30 10 HDEE CCOC(=O)CN(C(=O)CN1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 546919786 SHWSBSRBSDVCMO-UHFFFAOYSA-N 407.474 1.672 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 549294025 HQWXGHQYTQRGAU-UHFFFAOYSA-N 405.418 2.445 30 10 HDEE COCCN(Cc1ccnn1C)S(=O)(=O)c1cccc(Br)c1C#N 553875872 RZFPPNSHMJQUPV-UHFFFAOYSA-N 413.297 1.892 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1CCN(c2ccccc2)CC1 558435457 OXAAICHKUSFWLK-UHFFFAOYSA-N 423.521 1.287 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 559003686 DTVVRELWBUHUCO-AWEZNQCLSA-N 402.503 1.567 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 559241293 LJMMHZSVXWTYQF-SJORKVTESA-N 415.519 1.724 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 572684909 YLTFLTPWGMHPND-OAHLLOKOSA-N 413.544 1.192 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c(C)s1 572888537 FXOPEIWLSRUCED-UHFFFAOYSA-N 417.578 1.695 30 10 HDEE CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 585473346 UUZKMWKNEMTMCN-UHFFFAOYSA-N 400.508 1.705 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)c(F)c1 585688035 PDZFMNZEJDXZDR-UHFFFAOYSA-N 423.492 1.248 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)C1 588193320 YLYJFSKLULNVPO-LLVKDONJSA-N 405.307 1.866 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 598683352 GBRTXHZXEOHEGL-BBRMVZONSA-N 402.520 1.759 30 10 HDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669813817 DHQQTSCQILGVHN-GOSISDBHSA-N 424.505 1.731 30 10 HDEE C#CCN(C(=O)c1nc(C)n(-c2ccccc2C(C)C)n1)[C@@H]1CCS(=O)(=O)C1 729335864 VYRWOVFWSBZMGC-MRXNPFEDSA-N 400.504 1.962 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 730103525 BKVVKXSEMJAHAW-UHFFFAOYSA-N 405.462 1.036 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1)C1CC1 737010227 BYFCTEPSIYCTEJ-VXPUYCOJSA-N 411.462 1.845 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)c1ccc(C#N)cc1 740203767 LILCOLPIKWVWDY-KRWDZBQOSA-N 418.427 1.811 30 10 HDEE COC(=O)CCN(Cc1cccc(F)c1F)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746330446 YAXWIQMKTMDTMB-VXPUYCOJSA-N 421.400 1.773 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 748064121 KFWIGZBWFYUMMC-UHFFFAOYSA-N 402.545 1.269 30 10 HDEE CC[C@@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 748787483 ORJKTEWBNOXDAD-LJQANCHMSA-N 409.508 1.743 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2c(F)cccc2F)C1 756021780 CKPKFKFBZQNVKJ-UFZXGQNFSA-N 405.405 1.369 30 10 HDEE C#CCn1c(=C(C#N)C(=O)Nc2ccccc2OCC)sc(=Cc2ccoc2)c1=O 758079472 KOEZUFZWRWLXOU-UHFFFAOYSA-N 419.462 1.676 30 10 HDEE CCN1C(=O)CCc2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc21 759294199 RZCDRHXRRYWXDB-UHFFFAOYSA-N 412.471 1.663 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760405031 JQASSGUMYOXQII-KUHUBIRLSA-N 424.523 1.407 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC1(COC(=O)c2cc(C#N)cn2C)CCOCC1 763141005 LECGSGHRTCTCNP-UHFFFAOYSA-N 410.430 1.918 30 10 HDEE CCN(C[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)CC(F)(F)F 776137359 FQGNRKUZFXDUMD-ZGTROFRASA-N 417.432 1.429 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(C(=O)O)CCC1 776641010 OINGTEYCWKZACP-UHFFFAOYSA-N 407.492 1.657 30 10 HDEE N#CC1(NC(=O)CS[C@@H]2CCS(=O)(=O)C2)CCN(Cc2ccccc2)CC1 778447451 ULGQTZPCAVRQIJ-QGZVFWFLSA-N 407.561 1.581 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 780764558 NWTKQZYQRGFKBC-UHFFFAOYSA-N 416.507 1.020 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)Oc3cccnc3C#N)c(Br)cc21 795285740 YKQSYUKKHLGFIM-UHFFFAOYSA-N 423.248 1.674 30 10 HDEE N#Cc1cc(C(=O)NS(=O)(=O)c2ccccc2I)ccn1 796692185 VVKWGEUPOFAQDC-UHFFFAOYSA-N 413.196 1.677 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@]2(C)CCN(Cc3ccccc3)C2)CC1 798482419 VIPJOJALHUROSB-QHCPKHFHSA-N 413.566 1.528 30 10 HDEE CCN1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 801668720 NTLGYYKUYKUEBN-JJTVEENBSA-N 407.496 1.242 30 10 HDEE CCN(C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803922752 OUQWBZWFRADOLK-MRXNPFEDSA-N 408.451 1.308 30 10 HDEE COCCN(CCOC)C1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 805223529 JWTDZKVRHBLEQO-UHFFFAOYSA-N 404.511 1.836 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 811153102 FMEDZSFPGZAJLB-LBPRGKRZSA-N 403.416 1.055 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N1CCC[C@@H](C(N)=O)C1 914678791 RYNQZEAWMVNPGS-LESCRADOSA-N 401.463 1.617 30 10 HDEE COCCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 1125188331 CCDPRXOESGPJSL-RELWKKBWSA-N 419.507 1.985 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 1129748428 CNDJSLUWDZDVSZ-QGZVFWFLSA-N 414.483 1.995 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)Oc2c(F)cc(C#N)cc2Br)C1=O 1131600557 OUEAVCZBVHOVBM-JTQLQIEISA-N 413.199 1.777 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cccc(C#CCO)c3)CC2)cc1 1135992751 BNLDQNQKWIOOAS-UHFFFAOYSA-N 412.511 1.922 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)ccc12 1136573686 WYZHNBKIPOTCBE-UHFFFAOYSA-N 403.446 1.298 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1152468186 UJJCOCNXGJOTFS-SJCJKPOMSA-N 405.417 1.963 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1159764646 VZDZJWFVMYNJSI-HKUYNNGSSA-N 412.490 1.478 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC4(CCN(C)CC4)C3)ccc2c1=O 1161505520 FRVSZTWIDRQGCT-UHFFFAOYSA-N 414.531 1.808 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H]1C 1164262775 WLBCBBKRADIBLG-WOKLPGJTSA-N 404.511 1.897 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1171117123 KXRRHHXNAHCZCB-QZTJIDSGSA-N 415.471 1.061 30 10 HDEE C#CCN1CCC(NC(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)CC1 1178207308 HXXSZIGGPREHGE-UHFFFAOYSA-N 406.442 1.820 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1OC 1187790131 GQJIBPNZIYOPKA-CYBMUJFWSA-N 411.480 1.837 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)C1CCOCC1 1199588440 JYAXZHLRLCSQLP-LJQANCHMSA-N 411.506 1.690 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)c1 1230534341 DTTLDNTVMGZZFK-RBUKOAKNSA-N 416.547 1.599 30 10 HDEE N#CC1(CNC(=O)N2CCC(n3nncc3I)CC2)CC1 1246582704 IIPCANQLUGWETJ-UHFFFAOYSA-N 400.224 1.533 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](Oc2ncc(Br)cn2)C1 1258238235 LSMUXUVRKDDZCN-ZDUSSCGKSA-N 409.265 1.953 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C1CCOCC1 1280094887 DELNRFUZFWZODB-MOPGFXCFSA-N 400.475 1.853 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286335456 KEMVJCGYWVLQDO-UHFFFAOYSA-N 407.540 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1286406148 QJTBELQFEXONGA-UHFFFAOYSA-N 405.483 1.865 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1286447915 PEGYBFSQHDIDFW-SFHVURJKSA-N 402.520 1.857 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(C)CC1 1286464894 GVAGJSLXEAVOHK-GOSISDBHSA-N 402.543 1.437 30 10 HDEE C=CCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286777531 FAOSOGZCEXNNMA-FQEVSTJZSA-N 417.514 1.520 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1286785711 QNKDRJAMUJZTSV-IERDGZPVSA-N 412.494 1.417 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CC2)c1 1290527016 POKNGLWYJVWEMA-IBGZPJMESA-N 404.474 1.758 30 10 HDEE C[C@@H]1C[C@@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291041616 DPDRCBWBSVUHFV-PBHICJAKSA-N 416.507 1.391 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=O 1297274344 UZDNDEQXLYXRSA-YJYMSZOUSA-N 414.503 1.574 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1297529256 JVYHSCFEDCGMTH-NRFANRHFSA-N 414.510 1.268 30 10 HDEE CN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1298155978 NVNMONZDHZBMEQ-CJNGLKHVSA-N 405.480 1.656 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cnn(C)c1)c1noc(C)n1 1298587984 DKJNMEFSXHKZNV-CABCVRRESA-N 402.455 1.624 30 10 HDEE CN(CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1298670345 BFAPBJUJHJFIAV-JKSUJKDBSA-N 420.514 1.768 30 10 HDEE C#C[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1299870091 WVOFMRCJGBTPTQ-DLBZAZTESA-N 406.504 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1300267411 GPVQLMDJUHOOFI-SFHVURJKSA-N 422.533 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCNC(=O)Cc1cccc(F)c1 1300300386 ZBWWMFVOCIEZTD-HNNXBMFYSA-N 407.453 1.691 30 10 HDEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300349340 YDJOROFEJPNKPC-QGZVFWFLSA-N 424.505 1.980 30 10 HDEE C#CCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1300425255 RWSINWBHQMZDEG-QFIPXVFZSA-N 417.554 1.645 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)OC(C)(C)C 1300455942 QTMOLDVCIPOXDE-UHFFFAOYSA-N 416.482 1.990 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1300457430 CYSZNWZZGPRRRL-QZTJIDSGSA-N 422.489 1.464 30 10 HDEE C#CCN(c1nnc(CC)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1300499518 TUEPHBHGYNREMF-GOSISDBHSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)NC(C)C 1300587473 PYUIVAOBTGFURP-UHFFFAOYSA-N 419.576 1.721 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1300681960 FXPAZDJYXIVAEI-UHFFFAOYSA-N 407.584 1.688 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCCC2)CC1 1300710508 DKICNCQVRHWSKL-UHFFFAOYSA-N 400.527 1.572 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCn1cncn1 1301349925 PTIDEEFAEGTXEZ-UHFFFAOYSA-N 406.494 1.885 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1301405567 SXCKOYPRCOFPPJ-MRXNPFEDSA-N 407.496 1.431 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC)[C@H](C)C1 1301508153 FHUNJANGVDYEME-QGZVFWFLSA-N 422.537 1.349 30 10 HDEE C[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1304161928 VYJODRBIUGLXAD-GJZGRUSLSA-N 418.498 1.728 30 10 HDEE C[C@@H](C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1)n1cnc(C#N)n1 1304264270 MSZUIQCAOBZDST-YVEFUNNKSA-N 404.268 1.983 30 10 HDEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2CCS(=O)(=O)c1cccc(C#N)c1 1308072169 OYEZCIDZPOPTEM-YRWFTTLQSA-N 400.504 1.580 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)ccc1Cl 1308120106 VXTKRRMVRHZJAP-CABCVRRESA-N 412.943 1.752 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CCCN2CC(F)F)C1 1312467903 CUPIKGMICTUOOR-MJBXVCDLSA-N 401.458 1.774 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cn1 1312612509 LHYYVOURSOAADU-IUODEOHRSA-N 411.300 1.854 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1326589777 AVKNQKICDKRHAT-GJNTUIEKSA-N 400.523 1.096 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358923952 HNBXTJRZMIVRJU-HUUCEWRRSA-N 403.870 1.767 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358941616 QTDJJLLXDHHBLE-AWEZNQCLSA-N 418.479 1.204 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1OC 1359026590 DOHRNSWOAPYGAX-UHFFFAOYSA-N 415.469 1.683 30 10 HDEE Cc1cccc(O[C@H](C)c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncn(C)n2)c1C 1360879126 GRZHLDRPXRTRPK-SJORKVTESA-N 422.493 1.941 30 10 HDEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccnn1C 1437068193 PRWVAEKSTZTEBX-SJKOYZFVSA-N 415.837 1.329 30 10 HDEE N#CCOc1cccc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1443906507 BHMMAPIKYOOKHB-QGZVFWFLSA-N 423.878 1.198 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1445522803 HVSKKYSGHLNCAI-PBFVBANWSA-N 420.469 1.590 30 10 HDEE CCC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1CCOC 1446355239 XWNFWJDYJIAPDZ-OAHLLOKOSA-N 411.499 1.696 30 10 HDEE CS(=O)(=O)Nc1cccc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1456066430 UKTZJINADKHHDN-SFHVURJKSA-N 413.503 1.970 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1462580790 YJHXXVHKTAJYAB-UHFFFAOYSA-N 419.214 1.850 30 10 HDEE N#Cc1ccc(NCCNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)nc1 1464044384 XHVQCMAKMGAPTB-ZDUSSCGKSA-N 405.505 1.083 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1464354844 IWQXIMDPEWOXLN-UHFFFAOYSA-N 401.257 1.999 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)NC)cc2)s1 1464453620 RHFACFXHHXNXBJ-UHFFFAOYSA-N 407.517 1.431 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)c1 1472252282 PPFXTWSLYZYGPR-GOSISDBHSA-N 408.520 1.809 30 10 HDEE C#C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)cc1 1477790036 PVCITRXQNYBZBH-VUAZUDAXSA-N 417.263 1.949 30 10 HDEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCCNS(C)(=O)=O 1498772008 XCMKYYBMNRCUHJ-UHFFFAOYSA-N 402.524 1.820 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1507532663 MLNVNFULGRIDQX-YJBOKZPZSA-N 402.520 1.833 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507630402 YGGCZKYBWPHLDP-HUUCEWRRSA-N 407.565 1.662 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507767865 ILAROJKTWWCYQR-HSZRJFAPSA-N 420.517 1.801 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1507768326 OYOZIMOPIWCMED-VQIMIIECSA-N 410.540 1.573 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1)C1CC1 1507993360 PRMZJAUFGXWMFF-LIRRHRJNSA-N 406.508 1.836 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 1519275202 DSXJDSXMJUVPPK-KDOFPFPSSA-N 406.466 1.205 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1519329236 PGUWMVGJSKYJGK-QTQZEZTPSA-N 419.526 1.936 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)c(F)c2)CCO1 1521136129 CANTUVRJJAMHAY-HNNXBMFYSA-N 416.432 1.650 30 10 HDEE Cc1c(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cnn1CCC#N 1524709763 LITDWEPQMMFUQC-UHFFFAOYSA-N 409.899 1.857 30 10 HDEE C=CCN(C(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1528599771 FZTNSCUYVRVKQO-GFCCVEGCSA-N 415.537 1.983 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O 1535781339 OXULKPGUDDMNNU-CQSZACIVSA-N 406.826 1.460 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC(=O)N2C(C)(C)C)cn1 1538588632 GWUZEADDAXSZQO-HKUYNNGSSA-N 414.506 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1539004442 SZPJPXYZQOGSDB-AWEZNQCLSA-N 402.462 1.616 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539062883 GJDAJQUYUTTXAV-FQEVSTJZSA-N 423.565 1.830 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539115636 AIPYAMSLHBJSEG-IRXDYDNUSA-N 400.527 1.775 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1539215424 BQAWPYUULQZREL-HNNXBMFYSA-N 418.523 1.177 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539224363 GAJLRAZDWOKGLT-CZUORRHYSA-N 423.564 1.295 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cnn(Cc2ccccc2)c1 1539231012 NKMVZZYGSFLNIQ-UHFFFAOYSA-N 415.501 1.782 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOCC1(C)C 1539273437 RXMKSFGHEWTSCZ-UHFFFAOYSA-N 409.538 1.323 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1539318785 XZOHBMPBHITTBQ-SFHVURJKSA-N 418.501 1.948 30 10 HDEE COCCOC[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1539493857 IEUNSNAXKVPLNJ-SJLPKXTDSA-N 414.462 1.275 30 10 HDEE C#CCO[C@H](C)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1539593656 BQQLRQKTOVEXQB-KGLIPLIRSA-N 407.433 1.625 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1539626257 BZZIIZIJRLPHAP-QZTJIDSGSA-N 411.510 1.783 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1539836426 RHQUUVAVRRRTQV-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)CC1 1539847706 OFQFHWMEAHMTNF-KRWDZBQOSA-N 402.543 1.621 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539919148 WGXANYLMKGJKLW-VBKZILBWSA-N 402.499 1.862 30 10 HDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1540856798 TWSHHDZYIYDMMO-UHFFFAOYSA-N 401.496 1.302 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(OCCOC)CC1 1540869426 MOYWGRZMSNFRCJ-UHFFFAOYSA-N 414.510 1.583 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@H]2C)C1 1540881975 YLJSUEPWELIRGU-MSOLQXFVSA-N 418.542 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540902737 OZYWAIJNLNJTIP-XMTFNYHQSA-N 424.567 1.492 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540912819 IWJJHCFJEQGABT-OAHLLOKOSA-N 401.540 1.759 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1541066399 YLHMPXXQNRBXML-YOEHRIQHSA-N 420.491 1.083 30 10 HDEE C#CC[C@]1(C(=O)NCC(C)(C)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1542930781 QOVQVTMQLUQNFG-JOCHJYFZSA-N 406.571 1.922 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1545718326 CQJCSOMABKXTDN-KRWDZBQOSA-N 418.494 1.734 30 10 HDEE CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1547358455 BDWYGUAYZYWMHT-CQSZACIVSA-N 414.491 1.810 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1554608559 SVNQVOHLMYKCDG-HRAATJIYSA-N 413.478 1.759 30 10 HDEE COC[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1555239873 AAMURKGGGUJGNA-UONOGXRCSA-N 404.496 1.281 30 10 HDEE CS(=O)(=O)[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1556344660 HHDOZBOPVVRYLC-AWEZNQCLSA-N 412.309 1.402 30 10 HDEE CC(C)(O)[C@H](Oc1ccccc1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457313 BRMCZQQJYACWDF-WOJBJXKFSA-N 407.470 1.994 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(Cc3ccccc3)CCN(C)C2=O)n1 1556461212 SJGRWIFVISZJHP-QHCPKHFHSA-N 408.502 1.583 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H](OC3CCOCC3)c3ccccc3)C2)c(=O)nc1O 1558806180 HFYMSVDLUMXRCK-SFHVURJKSA-N 410.430 1.141 30 10 HDEE C#CCC1(O)CCN(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)CC1 1560098449 IIRYRJRMQYAJGE-FQEVSTJZSA-N 416.543 1.797 30 10 HDEE C#CC[C@@H]1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1560136044 ITXJKVMDOMKXKY-RTBURBONSA-N 403.548 1.562 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C(CC)CC)CC1 1563448644 GMLZHBMLIJZOIX-IBGZPJMESA-N 406.552 1.959 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1564480988 OQWKMZIHUREEJO-INIZCTEOSA-N 409.483 1.413 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1564675151 LSOPBLBMGIWINP-PBHICJAKSA-N 420.514 1.850 30 10 HDEE Cc1nnc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1C1CC1 1567187107 BBAWCVLKHXGURM-INIZCTEOSA-N 407.434 1.315 30 10 HDEE C=CCc1cc(CNC(=O)CNS(=O)(=O)c2ccccc2N)cc(OC)c1OC 1583798584 XLSSZQLUCHJVKQ-UHFFFAOYSA-N 419.503 1.609 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCC[C@@H]3C)c2)nn1 1584318953 BNXROIANSIUFCN-HNNXBMFYSA-N 403.508 1.957 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1 1587613550 LWEVWDZHQJCOBT-QGZVFWFLSA-N 405.520 1.742 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1587683123 BXXHBFOLFMFDOM-NJAFHUGGSA-N 419.526 1.938 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588065039 RTJZHOVZMVXKEJ-SJLPKXTDSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(OC)cc1 1588173681 GZTKTXMJKIZDQL-UHFFFAOYSA-N 409.490 1.967 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1 1588199706 WGUNVWPCNVQXAK-UHFFFAOYSA-N 409.817 1.584 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCC1 1589149919 AXXAVPWONIAOEZ-FUHIMQAGSA-N 422.599 1.612 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1594753807 GCDQJEYODRVUOO-UTKZUKDTSA-N 415.494 1.362 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1594825003 UAVQPGZCCHVUTP-SFHVURJKSA-N 407.478 1.838 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@](C)(CC)C1 1595561747 ANVYDVBEWPSFCZ-IBGZPJMESA-N 404.540 1.941 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1595926813 BPKGVDQRLJRNQB-ZHACJKMWSA-N 413.499 1.730 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)C1 1611767146 IDHSESPLQNRMRO-FRQCXROJSA-N 407.540 1.737 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c(C#N)cc2C1 1617371868 YKOVVBRUEUUTHJ-LLVKDONJSA-N 406.446 1.219 30 10 HDEE C#C[C@H](NC(=O)c1ccc(OC)c(I)n1)C1CCOCC1 1618321779 HTPFCPBYYRLRSO-NSHDSACASA-N 400.216 1.853 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCc1ccncc1 1618778878 GEMQTWOZTUIZHJ-UHFFFAOYSA-N 419.489 1.939 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1620452069 WAONURAAOCLZKB-MRXNPFEDSA-N 411.506 1.830 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1622015749 TYFBBMHYLLOGIL-LLVKDONJSA-N 423.260 1.473 30 10 HDEE C#CCN(CC(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)OC(C)(C)C 1625567355 CRGGQBNAETYTRY-HXUWFJFHSA-N 400.435 1.550 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c(OC)c1 1628213906 VNJLPRWRCQFDOL-UHFFFAOYSA-N 418.490 1.815 30 10 HDEE COc1ccc(C(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882302 DYOFHJGMALZDOW-HOTGVXAUSA-N 407.492 1.480 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@](C)(CO)Cc1ccc(Cl)cc1)c1cc[nH]n1 1632450006 FFTIGLOXHXLJJM-IBGZPJMESA-N 422.869 1.457 30 10 HDEE Cc1cc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)nn1-c1cccc(C#N)c1 1633704141 APJOQUDTDZIHHV-UHFFFAOYSA-N 411.462 1.764 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(n2nncc2I)CC1 1635347850 UFFCOVYOYQLPCA-NEPJUHHUSA-N 417.251 1.573 30 10 HDEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C#N)CO 1635475104 BLPPMCJGEGVARG-GWCFXTLKSA-N 400.298 1.301 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1nnc2ccc(Br)cn12 1635800575 VMQIWPQATYOSPH-YPKPFQOOSA-N 405.212 1.347 30 10 HDEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nnn1Cc1ccncc1 1637491660 GDKFYUHHKPJDLX-UHFFFAOYSA-N 414.422 1.719 30 10 HDEE C=CCN(C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)[C@H](C)COC 1638897084 FKVBEFLQIDSDAK-XYSPPFBYSA-N 402.513 1.118 30 10 HDEE C=CCn1cc(CNC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 1639562210 XBCYAAURYIYZKH-CYBMUJFWSA-N 401.471 1.842 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc21 1639674358 OZLIKLTYILIGIY-DLBZAZTESA-N 424.457 1.897 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3cnc(C(F)(F)F)c3C2)cc1 1643688069 KVQCIDSEBBULJE-UHFFFAOYSA-N 412.393 1.469 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 1643991208 ANSURNJKRXKZKO-FQEVSTJZSA-N 423.517 1.804 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 1644438669 SVWCRFJBYUFCTR-GMSGAONNSA-N 402.266 1.992 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1644587582 NYFHOSBBHLTOAN-IEBWSBKVSA-N 421.453 1.874 30 10 HDEE C#CCO[C@@H](C)C(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645523570 ZEAPNASFRUAXLQ-IRXDYDNUSA-N 409.527 1.731 30 10 HDEE C#C[C@@H]1CCCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1646455340 JIWPDOAGASOCCJ-QGZVFWFLSA-N 416.547 1.922 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CC2CCCC2)C(=O)OC)c1 1647351808 YBQLSLXCLLLSTJ-KRWDZBQOSA-N 406.504 1.697 30 10 HDEE O=C(CN1CCC(Cc2nn[nH]n2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1648207997 DRWMXLCMXIXIMI-UHFFFAOYSA-N 406.412 1.641 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncc(C)[nH]3)CCOCC2)cc1 1652771996 HBMXQHSHSWJKNX-UHFFFAOYSA-N 404.492 1.618 30 10 HDEE CN1CCN(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1654836965 QDWVLTSDKBSZNE-NXEZZACHSA-N 409.321 1.863 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1654909809 VYYBFPZYUFXRLR-HNNXBMFYSA-N 408.499 1.090 30 10 HDEE N#Cc1cccc([C@H](NCC(=O)NCc2ccc(OCC(N)=O)cc2)C(F)(F)F)c1 1659908593 PGMYWSCGAROMMY-IBGZPJMESA-N 420.391 1.932 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1671150331 FMANFPQKENMTOK-CYBMUJFWSA-N 424.972 1.976 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2=O)c(OC)c1 1672547580 CWWVREZPNVVEST-GOSISDBHSA-N 415.494 1.046 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCO1 1673400618 KXBZPPPUZAAIEC-FQEVSTJZSA-N 411.462 1.880 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)[C@H]1COCC12OCCO2 1673533249 FVGNXHJGOVWBPB-LJQANCHMSA-N 414.506 1.806 30 10 HDEE C=CCN(CC=C)C(=O)CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C1 1674023448 NNMLPRYDXXNWOQ-UTJFUGJHSA-N 401.551 1.827 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)s1 1682135702 ALWRPFQAYTWIQG-UHFFFAOYSA-N 405.505 1.299 30 10 HDEE C=C(C)CONC(=O)NC[C@@H](O)COc1ccc(I)cc1 1683729224 ZREDZLFABPUPKN-GFCCVEGCSA-N 406.220 1.838 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1685148332 GLIPNTAHYGUWRR-UHFFFAOYSA-N 418.498 1.130 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2 1685843947 DPVOCPDKEHSYBL-SFHVURJKSA-N 417.528 1.009 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1686675923 SQFTUWPJUHEWBU-IRXDYDNUSA-N 406.527 1.899 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)NC)c1 1689998333 JOXZACMXVXXWOI-UHFFFAOYSA-N 406.490 1.091 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)CC)CC1 1690145890 AJXZBTQMRJCJIX-UWJYYQICSA-N 403.527 1.299 30 10 HDEE C=CCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690653442 QWXPIYRWXMDBCE-WAOWUJCRSA-N 405.543 1.662 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1690679375 SGLFMGVMQPXMBA-KRWDZBQOSA-N 421.505 1.993 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCOC2)CCOC1 1692633439 LRMAHDHUXRTMPO-LEWJYISDSA-N 419.526 1.600 30 10 HDEE C[C@H]1C[C@@H](C)CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1693566853 DEAZDESYRZFJKJ-SCTDSRPQSA-N 412.542 1.775 30 10 HDEE CN(C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1696571754 ZMUIIOKBHXBQFY-SJLPKXTDSA-N 416.526 1.692 30 10 HDEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705511622 AJASVLIYCBEQTP-LJQANCHMSA-N 420.517 1.458 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N[C@@H](C)CC 1705556827 VLBHSEIFVJNKSH-AWEZNQCLSA-N 402.524 1.644 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](C)N1CCN(CC)CC1 1705584622 RNQWMRIBLACYTA-HXUWFJFHSA-N 405.550 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCOC[C@H]2C)CC1 1705644441 QVMFSMZXQWVLLB-QZTJIDSGSA-N 416.570 1.478 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1705685884 KWVMIMNUKBTICY-CYBMUJFWSA-N 421.361 1.952 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705694498 RNKIWMNDCRTJOW-SJORKVTESA-N 411.572 1.854 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 1705763086 OAVALRWWPQHGRA-CQSZACIVSA-N 419.507 1.822 30 10 HDEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705821251 PYCCNECLTHKZNO-OAHLLOKOSA-N 400.508 1.044 30 10 HDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705845393 QNYYMONFHYQESV-FQEVSTJZSA-N 420.535 1.244 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1)C1CC1 1705853191 SBRLLXVCARNJPM-PKOBYXMFSA-N 415.586 1.658 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1705933081 TWUZUVKVBIBDQB-UHFFFAOYSA-N 417.535 1.605 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Cn2ccnn2)CC1 1705934379 KHXWUHVLQFKCBT-UHFFFAOYSA-N 405.528 1.264 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1708663969 DCGRKCKEGWIUIR-RBUKOAKNSA-N 424.505 1.408 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1708919020 BPVRAPSNFAOXIC-WMZOPIPTSA-N 415.519 1.671 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1709010988 FEHXNCUGGATCSJ-AWEZNQCLSA-N 414.514 1.605 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCNC(=O)C1CC1 1711085294 BTSUQHKHVRWTBX-UHFFFAOYSA-N 402.462 1.769 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cn1 1711248557 DWBFDDDGTSSGIP-LJQANCHMSA-N 417.539 1.633 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCC[C@@H]1NC(=O)NC1=O 1722361914 KGNGEPTUENJHHK-INIZCTEOSA-N 410.478 1.477 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1722528392 FQDKJBFTLQDFPH-MRXNPFEDSA-N 414.576 1.011 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C1CCC1 1722699789 YINWHGAAQUUNBT-HZPDHXFCSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722703522 AXXTURYJCZGKAS-HRAATJIYSA-N 421.542 1.625 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1722868356 FIMVRMYTIJDPOY-CJNGLKHVSA-N 413.457 1.592 30 10 HDEE CC(C)COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1723520785 CYHAXJOJDOQZCR-HNNXBMFYSA-N 412.560 1.691 30 10 HDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)n1 1729581572 GNSXOCHZQRSJSX-QGZVFWFLSA-N 404.478 1.495 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1c(C)nn(C)c1C 1730838491 CSNGENIRKRMWHB-KXBFYZLASA-N 405.478 1.843 30 10 HDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1730900151 ALVZAUJDKYESLO-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2)nnc1N1CCC(CO)CC1 1731216069 DMQDGJFBUFQFBH-XUTLUUPISA-N 422.489 1.680 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@H](C)C(=O)NCC(C)C)CC1 1733370401 HZYBJNCPDVGUGG-RTJUMIHMSA-N 401.551 1.497 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)C1CCCC1 1740291663 RQWAKCWQMFNZGF-NSOKGPEJSA-N 403.523 1.522 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(COC)CCCC1 1740532396 FNDXEJBKQQSONS-HZPDHXFCSA-N 411.572 1.943 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC1CC1 1740603447 SNBXLTPVJKENCV-UHFFFAOYSA-N 403.464 1.748 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)(C)C 1740612899 MBWCLLISPRULBW-UHFFFAOYSA-N 402.524 1.644 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1741000611 UOOLTIHREJCMBJ-GOSISDBHSA-N 401.496 1.685 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1741130911 OXUWDNXRGYBKSX-QWHCGFSZSA-N 406.450 1.468 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCCC2)C1 1747540635 GMGAXEAVTICICI-IBGZPJMESA-N 407.522 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1OC 1748667122 NOBPPMMWEGBQJG-VBQJREDUSA-N 401.467 1.515 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1748747899 NUNWGJKWFZCQAT-HNNXBMFYSA-N 408.462 1.859 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1748826274 QELYWYGOYBBJNA-INIZCTEOSA-N 415.519 1.212 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1749211493 YZQXKFNQYWJQDW-UHFFFAOYSA-N 400.483 1.727 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1749228494 APIDJBWYZJUSPV-QGZVFWFLSA-N 407.540 1.903 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749235584 UXHRRNXGMGCXCU-SJORKVTESA-N 407.515 1.233 30 10 HDEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1749456216 YSGJEBQIBXAUCD-UHFFFAOYSA-N 401.471 1.729 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1749507016 PUOOTGHXRFZYAS-ROUUACIJSA-N 406.575 1.650 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H](C)C(=O)NC)nnc1C1(c2ccccc2)CCC1 1749682321 RLWIXUXSZQOEHY-QGZVFWFLSA-N 424.549 1.869 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749721886 WDMQCIVVSWLSJD-LSDHHAIUSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749725412 TXMGUQQNISRDRV-IYBDPMFKSA-N 410.496 1.297 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1749959096 GRJBEYBFXOFMQF-JOCHJYFZSA-N 424.505 1.727 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C)no1 1750031522 WQIJEZPMXQWIDT-WBVHZDCISA-N 415.498 1.523 30 10 HDEE CSCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1750309138 ZJRJGEDILUFSLV-CZUORRHYSA-N 418.564 1.864 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1760175764 QUVXOHRDSMNWPF-KRWDZBQOSA-N 418.519 1.475 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760437833 PBKYCCYMWUKERF-HXUWFJFHSA-N 400.483 1.934 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760853813 ZMGVZUUUUSRKTJ-SJORKVTESA-N 424.461 1.703 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCSC1 1761492315 BUELGGGMSWUMKU-GRDNDAEWSA-N 412.585 1.771 30 10 HDEE CCc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)s1 1764512371 FFSQXSUKYUJHMS-AWEZNQCLSA-N 400.508 1.801 30 10 HDEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1769061533 CZQRDDBANDIVPZ-VQTJNVASSA-N 420.439 1.656 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1770157720 SRWAYPKBYADGAO-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE CN(CC#CCNC(=O)CN1C(=O)c2ccccc2S1(=O)=O)Cc1ccccc1 1850304328 VMBWLBRNULOAJG-UHFFFAOYSA-N 411.483 1.083 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCCN3CCS(=O)(=O)CC3)CC2)cc1 1850990627 BEOUBCRITWIHCI-UHFFFAOYSA-N 405.520 1.439 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1 1851416124 WAULDTUIEAANMV-KBPBESRZSA-N 411.384 1.697 30 10 HDEE Cc1nn(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C#N 1851654839 JTYHOSIAFYBQBB-UHFFFAOYSA-N 405.455 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)C1 1851793509 OFYBHWMEBHDFBM-HUUCEWRRSA-N 404.423 1.253 30 10 HDEE Cc1nn(-c2ccccc2)c(NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1852569937 UZJBUYXRCQDQLA-INIZCTEOSA-N 406.490 1.934 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CC(=O)N(CCc3c[nH]c4ccccc34)C1)CC2 1853007922 GOKVZBZBSIMNSZ-HNNXBMFYSA-N 402.458 1.739 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(N[C@H]3CCc4nn(C)c(=O)cc4C3)CC2)CC1 1853599176 GBKHLJBEUPUJDL-KRWDZBQOSA-N 406.552 1.130 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](N2CCC(C#N)CC2)C1=O)n1nnc2ccccc2c1=O 1853765124 DQQHRTISRJYJME-RDTXWAMCSA-N 408.462 1.106 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(OC)ccn2)C1=O 1854301351 HQIGWIHFEPGLNV-MSOLQXFVSA-N 400.479 1.330 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC(Oc4ncccn4)CC3)CC2=O)ccn1 1854447029 CBWHELZKKMEBGR-OAHLLOKOSA-N 406.446 1.275 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc3c(c2)CCCC3)CCN1S(=O)(=O)CC#N 1854693635 FOYAXKDTUQHLBE-HNNXBMFYSA-N 403.504 1.411 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)[C@H](C2CCOCC2)C1 1855104231 MJBGGPJNYNEFEA-UXHICEINSA-N 411.506 1.127 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855718537 VKVJNZIAKCIZEL-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)CC2)nn1 1855866286 BFHSRKKRWDMRNJ-SFHVURJKSA-N 410.522 1.612 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855870055 MANGGOLKGPJMKL-INIZCTEOSA-N 421.494 1.600 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1856156673 AJULQRCCONCHBM-ZWKOTPCHSA-N 416.522 1.015 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@@H]3C(F)(F)F)ccc21 1856259502 JFOSAPUGSGMXQX-CYBMUJFWSA-N 401.366 1.731 30 10 HDEE Cc1ccc(CC(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cc1 1856390547 DBKBVKNFEOLHST-SFHVURJKSA-N 404.470 1.943 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC[C@@H]2CS(=O)(=O)c2ccccc2)CCC1=O 1856886746 XWNYWMDQQQRWND-IAGOWNOFSA-N 403.504 1.604 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@@H](Cc3nc(-c4ccncc4)no3)C2)C1=O 1856909020 UHXYFUIYKUQBLW-DOTOQJQBSA-N 408.462 1.817 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)COCc3ccccc3)C2)CC1 1857067244 XJSZSNVPJBMKAK-SFHVURJKSA-N 419.503 1.144 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@@H]1CCN(C)C1=O 1857252478 FZLAELIBEBEUSY-DOTOQJQBSA-N 400.479 1.106 30 10 HDEE COc1cc2cc(C#N)c(SCC(=O)N3CCN(C(C)=O)CC3)nc2cc1OC 1858203020 HOOWHXVVUQBECY-UHFFFAOYSA-N 414.487 1.906 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874337219 KVWBVQZNVWBYTI-VDLQQMNMSA-N 404.496 1.488 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(O)c1 1874430937 FQWMIKOJXURXIX-KEBDBYFISA-N 404.496 1.463 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1CC2=NO 1876017130 FHYWLFCVBSFVFX-NQCMUKECSA-N 423.466 1.655 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1890081714 GGXPEMCAISLACO-UHFFFAOYSA-N 400.479 1.467 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)C1 2054407179 CFSZGNVTBFLGKV-MRXNPFEDSA-N 404.492 1.467 30 10 HDEE N#Cc1ncccc1S(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2118169278 WGUOLOHHBJYKCT-MRXNPFEDSA-N 416.459 1.269 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2180137183 IUGDTXMSRBUWAQ-LJQANCHMSA-N 400.541 1.966 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195328625 SSPXXZKJSRAJJR-OLZOCXBDSA-N 404.529 1.832 30 10 HDEE Cc1csc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2243388421 AVJFJWJQOFMJRK-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N(Cc1ccccc1)C1CC1 2243410565 DIHOAEHTSHIKGA-UHFFFAOYSA-N 418.328 1.468 30 10 HDEE CCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2247826918 BLCQZJOBEWQTGK-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2247829928 NUTATOGGTREAEF-CHWSQXEVSA-N 423.319 1.402 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2247901376 JOWSUNKNHLCOSW-UHFFFAOYSA-N 401.315 1.185 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248058546 ZSESFFATNCNCNU-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE CC1(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)OCCO1 2267704241 KMTPVFXJDFZDCK-UHFFFAOYSA-N 415.292 1.556 30 10 HDEE C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267705090 VGCFRRPTWANPAO-ZJUUUORDSA-N 407.750 1.845 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@@H]3N)c(Cl)c2)OC1(C)C 2267725106 TUTQBCSKZMFBEX-NWDGAFQWSA-N 407.128 1.671 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270541064 VZBUJVJAOARMTQ-SFHVURJKSA-N 424.519 1.766 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2281809690 JANHNDGHHXIZIC-UHFFFAOYSA-N 410.273 1.200 30 10 HDEE CO[C@@](C)(CO)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325827 JZWSYAZLGAIIRC-MRXNPFEDSA-N 405.347 1.031 30 10 HDEE CN(C)C[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329748 QSBPNBYLGNDYJZ-CQSZACIVSA-N 400.375 1.762 30 10 HDEE C[C@@H]1SCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@H]1C 2282335671 SPCXLGJMKQKPAT-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CCCN(CC(=O)NC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338414 RFFYRLOMPCBHKV-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC[C@@H](C)[C@@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282413685 ILEJXXGEXWUXGJ-YPMHNXCESA-N 404.363 1.269 30 10 HDEE C[C@H]1CN(C)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498784 JMMDMLQZTAQLIR-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)CC(C)C 2282834901 YWGPLCMKMQLUBX-UHFFFAOYSA-N 403.375 1.995 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](O)C(F)F)c(Cl)c2)OC1(C)C 2282842541 ZVWMFOJZYOIAER-LLVKDONJSA-N 411.663 1.544 30 10 HDEE COCC(COC)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850915 VCVMNWMVWHSYJU-UHFFFAOYSA-N 405.347 1.329 30 10 HDEE CNC1CCC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282852404 ONKPILWTJYMIAD-UHFFFAOYSA-N 400.375 1.856 30 10 HDEE C[C@@H]1CN(C)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883136 WHRKXGAXGLEHPZ-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC1([C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(=O)O)CC1 2284415525 YEJDUXBVEFMDJY-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CO[C@@H]1[C@@H](O)C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2286749994 SKPGXTRPDINXIZ-NHCYSSNCSA-N 423.749 1.127 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244833 ATFQOAWJGFGXNK-CMPLNLGQSA-N 402.347 1.226 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs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c3ccccc3)C2)CCN1C1CC1 2372874834 CQBIPMKMWSLVLZ-KNQAVFIVSA-N 412.490 1.915 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)c1 20293146 UQAKRINTQKPSLB-AWQFTUOYSA-N 401.452 1.448 30 10 HDEE COc1cccc2cc(C(=O)NCC#CCOc3ccccc3C(N)=O)c(=O)oc12 90743864 HIYOQSSIGKLBFE-UHFFFAOYSA-N 406.394 1.713 30 10 HDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CO)(C(=O)O)N[C@H]2c1ccc(Oc2ccccc2)cc1 248033262 YGYJBZQCXBLQAU-YWNPBTLJSA-N 420.421 1.173 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1=O 429469984 LXNFOFUQFBYDMK-OXFYSEKESA-N 418.501 1.947 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@]3(CNC(=O)C3)C2)nnc1-c1ccco1 433959479 UPRYUTCNYOVIFU-IBGZPJMESA-N 401.492 1.945 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447267932 RXJAXCQDMIBACH-UHFFFAOYSA-N 414.437 1.424 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 460930300 HMEKGKDQTLHNGX-AWEZNQCLSA-N 403.574 1.376 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ncccc1OCCCC#N 466607757 MOARZQDCIBQGIC-RRCSTGOVSA-N 416.434 1.721 30 10 HDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CC[C@@H](NC(N)=O)C1 476631499 HRXARZPGFPJXNG-OAHLLOKOSA-N 407.430 1.867 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 488276465 ZKFGNOQFZJDZEJ-LSDHHAIUSA-N 411.462 1.650 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 498720789 SKVZKPZNYLSMPV-FPOVZHCZSA-N 413.566 1.526 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 503425894 IXUHMOATWUOSDF-AFPWNCAFSA-N 401.463 1.171 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1[C@]1(C)NC(=O)NC1=O 503834895 WYTPEMXGFOQJHE-SFHVURJKSA-N 406.464 1.064 30 10 HDEE COCC[C@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 508085963 QSKMIAKTKIKDJB-MRXNPFEDSA-N 401.510 1.068 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NCC)CC1 508881428 QJKDSZNQPBQGON-UHFFFAOYSA-N 400.483 2.000 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 508955106 ZVBHXAVMCJHNIW-FUHWJXTLSA-N 414.558 1.855 30 10 HDEE COc1cc(F)ccc1N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512408411 GURCBUYBFXUCSW-FQEVSTJZSA-N 417.529 1.649 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 526035907 SVMRNYOQNRPJTC-AWEZNQCLSA-N 419.453 1.275 30 10 HDEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546904370 WWEFUJCGXBQDNJ-HNNXBMFYSA-N 412.454 1.443 30 10 HDEE N#Cc1ncn(CCNC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)n1 558225186 AEBNZQDPNUIDLG-UHFFFAOYSA-N 404.456 2.254 30 10 HDEE COC(=O)c1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 566537991 NAGRNVJZKMXLKK-LJQANCHMSA-N 406.442 1.945 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 589642162 BDJABDQVAWINEC-HNAYVOBHSA-N 410.478 1.644 30 10 HDEE NCC#Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)s1 703977549 HJBPSCKVQCYGDH-UHFFFAOYSA-N 417.512 1.164 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOC(C)(C)C)C1=O 726401414 PMYQKOYRWQOCSN-AWEZNQCLSA-N 406.508 1.668 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CCN1C1CC1 732697548 HCEVINNWVYBARW-HNNXBMFYSA-N 407.471 1.570 30 10 HDEE C#CCN(C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 733135747 JPTYAXMCZWIWOF-RYUDHWBXSA-N 417.314 1.761 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 734690577 VMBNLWZXRWOAMQ-INIZCTEOSA-N 411.547 1.165 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 740731017 FVHVBOQGPJHVEW-AWEZNQCLSA-N 401.492 1.176 30 10 HDEE CC[S@@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741421936 RYECOGHHUQLDLG-IBOHTEHESA-N 400.526 1.390 30 10 HDEE N#Cc1cccc(C(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 748261078 BXCILZRTABKKTD-OAQYLSRUSA-N 417.421 1.760 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1=O 757597853 UHYWIPBGOWHCLZ-YOEHRIQHSA-N 424.457 1.957 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760770602 DQPJIKQCMRCLKX-SFHVURJKSA-N 417.487 1.807 30 10 HDEE C[C@@H](CC(=O)Nc1cn(C)nc1-c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 762556924 WHDKURDREJURJQ-ZDUSSCGKSA-N 424.486 1.938 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 764668179 XQEFRTYGLKOCNL-ZDUSSCGKSA-N 412.471 1.756 30 10 HDEE Cn1ccnc1[C@@H](O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 764739729 GTGNWDPDVWGVRR-KRWDZBQOSA-N 406.450 1.850 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2nnnn2C)C1=O 771540581 GQBXDNFXPSOORL-GFCCVEGCSA-N 407.887 1.174 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774194890 JOZDWPSIDFQQRQ-YJBOKZPZSA-N 403.504 1.706 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 774195774 MPQRMQSIQIGAFY-MSOLQXFVSA-N 419.503 1.136 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 780204114 FUYJFICDIVKWTM-FQEVSTJZSA-N 424.413 1.392 30 10 HDEE N#C[C@@H](C(=O)CN1C(=O)CCc2ccccc21)C(=O)NCc1ccc([N+](=O)[O-])cc1 787056002 IYQOZXGCGSKJTK-KRWDZBQOSA-N 406.398 1.899 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(CC(C)(C)OC3(C)C)C2=O)n1 788366955 RXNJKTATLQJHDJ-OAQYLSRUSA-N 417.510 1.190 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1c[nH]c(C(=O)OC)c1 789968805 QFTPYEOUPNTDEU-LLVKDONJSA-N 403.468 1.278 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN(CC(F)F)C2)cc1 791324548 AEURUZOCCWFAHI-LTGZKZEYSA-N 400.451 1.635 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C(=O)[C@H](C)n2cnc(C#N)n2)ccc1Br 798824204 BKGPATYQIJCHIS-JTQLQIEISA-N 412.269 1.629 30 10 HDEE C[C@@H](C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1)n1cnc(C#N)n1 798850042 HZLWLFLRCRGEAD-JTQLQIEISA-N 416.239 1.926 30 10 HDEE C#Cc1cc(F)c(NC(=O)C(=O)NCCc2nc(C(=O)OCC)cs2)c(F)c1 802573324 YWJJLNRMCZHOKW-UHFFFAOYSA-N 407.398 1.877 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncnn1C(C)C 819581009 RZNCDYKIXPLJEZ-HNNXBMFYSA-N 418.523 1.629 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1132904742 YZLQYTCFCFTRQM-MRXNPFEDSA-N 409.533 1.567 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@H](C#N)CCc3ccccc3)CC2)c(C(N)=O)c1C 1136694864 CLZRWWWDUCJVNX-SFHVURJKSA-N 406.490 1.614 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](NC(=O)N(C)C)C2)s1 1142056679 YMTCKSBBUKKGBM-ZDUSSCGKSA-N 414.553 1.017 30 10 HDEE N#Cc1cn(CCNC(=O)c2cccc(COc3cccc(C=O)c3)c2)c(=O)nc1O 1148392589 AMKXDHAITRCPBP-UHFFFAOYSA-N 418.409 1.642 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CCN1C1CC1 1151624641 BBXOINASZCGGSX-SFHVURJKSA-N 417.941 1.896 30 10 HDEE CC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc(F)cc(Br)c1 1154565569 FXOTYPDAFFAWRL-ZDUSSCGKSA-N 409.215 1.990 30 10 HDEE C=CCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC 1158281673 ZFIMSYGRVNJNTR-OAHLLOKOSA-N 411.476 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)C#Cc2ccc3c(c2)OCO3)C1 1165820191 GPPSYOUCAGXKPP-NRFANRHFSA-N 413.430 1.410 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](C)c2nc(C(=O)OCC)n[nH]2)CCCN1C(=O)OC(C)(C)C 1166125854 FCXDMKWJQSPPHO-RBZFPXEDSA-N 419.482 1.952 30 10 HDEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1167523514 HCURIQHIIYLUPD-CYBMUJFWSA-N 415.475 1.006 30 10 HDEE COc1nscc1CN(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1179121934 FBMLMDMNTAFRNT-HNNXBMFYSA-N 413.459 1.887 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)c1 1192493500 OUVXQWJEUHKFOI-MRXNPFEDSA-N 410.492 1.334 30 10 HDEE CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2cccnc21 1233853714 QVHNIXXHNDGXIH-CVEARBPZSA-N 400.483 1.802 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1251158380 VZCCENYDFVPEFH-GJZGRUSLSA-N 409.483 1.003 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1251644849 BRXPNYPJZPNWOP-NSHDSACASA-N 420.354 1.938 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1254635528 DHVLSTHUIUGZMB-GDBMZVCRSA-N 404.463 1.869 30 10 HDEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)nn1C 1277346688 KSJYIBVPLDLUMY-UHFFFAOYSA-N 423.445 1.918 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C2OCCO2)c1 1286415887 SFDKFQMPBUSYTI-UHFFFAOYSA-N 421.501 1.973 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(C)(C)O)c1 1286461433 SMMZVCIISNGTNG-UHFFFAOYSA-N 413.522 1.778 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCC(=C)C)CC1 1286491837 ADMUWMVFPFMZQL-LJQANCHMSA-N 415.538 1.731 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286509132 MXEIJFSJDVQSLL-FQEVSTJZSA-N 418.567 1.658 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1286710121 NFTFFLVCQAMAQH-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1286756349 LABFRYSOAZASDK-UHFFFAOYSA-N 421.505 1.895 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(OCC(N)=O)CC2)no1 1289390140 DAAZMJWNKCQJDI-UHFFFAOYSA-N 421.461 1.632 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)cs1 1290408978 OTFBTZIJMMIRSQ-DJJJIMSYSA-N 402.524 1.914 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1296971454 ACPMECIPWHZVPX-SIKLNZKXSA-N 410.522 1.889 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 1298552632 JFEQNZHATMAXIT-IRXDYDNUSA-N 417.491 1.181 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C[C@H]1O 1299412318 IGXDMWVCSIOZKR-RTBURBONSA-N 423.473 1.524 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1300299539 RBARLGBAIAMLMB-AWEZNQCLSA-N 402.524 1.733 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1300428385 FSDFFCRVXABHRJ-UHFFFAOYSA-N 401.492 1.035 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300502483 VPYXENRIRFCHON-NVXWUHKLSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(-n2cncn2)c1 1300536295 UJXLAURBRGSALB-LJQANCHMSA-N 401.474 1.874 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1301187752 BMZMOLGPJUVZSV-IAGOWNOFSA-N 409.556 1.057 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1302167630 ZGLQJYBWBSQVBC-SFHVURJKSA-N 412.494 1.583 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1302405313 FBKWRWUYAMNNKO-UHFFFAOYSA-N 406.450 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1302436093 AMUSPSCTTKKEOP-ZBFHGGJFSA-N 414.510 1.946 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cccc(NC(=O)OC(C)(C)C)c2)C1=O 1302669077 ZJVSZCSPKXPVJG-UHFFFAOYSA-N 403.391 1.916 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1302954192 HTQGAUNLUJSBKA-JOCHJYFZSA-N 422.537 1.548 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2CCOCC2)CCOC1 1303503641 CWSBXOAUDKOEJS-WIYYLYMNSA-N 419.526 1.864 30 10 HDEE C=CCn1cc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)nn1 1303560365 KUFXGXSMOWAUHU-DMAKZNTKSA-N 404.467 1.447 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1304201205 WWQLFDWECHCHEU-PMPSAXMXSA-N 421.519 1.300 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304272309 REIFRHDQMZWNSB-CFGMGRTJSA-N 409.508 1.173 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@H]1C 1304846896 FXTZWMJHDNEWDR-HTAPYJJXSA-N 410.522 1.710 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCC(=O)NC 1306193157 DKCHEPYBJQPILF-UHFFFAOYSA-N 418.505 1.723 30 10 HDEE CCOCCn1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cn1 1306834091 MVSZKVWEPKGQIU-UHFFFAOYSA-N 408.256 1.716 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cccn2)CCOC1 1314111688 DVQSUOOEQIMOJH-RBUKOAKNSA-N 403.462 1.659 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1314139308 GSCSGVIAZXKAID-FXAWDEMLSA-N 404.515 1.145 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1314571835 PZTRAWASOBRIOH-GDLZYMKVSA-N 418.523 1.904 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCCO)C1 1316527008 GVEHUZWCHTZJKS-LJQANCHMSA-N 411.445 1.525 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1323730886 ULSUTSLSTQPPQJ-GOSISDBHSA-N 423.535 1.231 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1329535460 ZPNXDROJRVCUCR-YJYMSZOUSA-N 422.489 1.861 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358962540 RPCHVBQSKVMZBX-DLBZAZTESA-N 424.567 1.819 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1359076871 NUXSYHQGQFKMGK-QWRGUYRKSA-N 408.322 1.022 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccn(CC)c2=O)CC1 1359159387 VFNPEORXQAVNDZ-HNNXBMFYSA-N 420.539 1.275 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)CC1 1359172396 USHCKAYRIZQFQM-UHFFFAOYSA-N 402.499 1.759 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359300882 LYAQBZCEXLGAQY-JTSKRJEESA-N 411.506 1.491 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1359302156 YBSDZFDWDXESOH-KRWDZBQOSA-N 424.484 1.743 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1360790668 GSLBTGQRPKIEDE-INIZCTEOSA-N 422.493 1.382 30 10 HDEE Cc1c(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)cnn1C 1360965749 IBHGDFQAUISRNU-SFHVURJKSA-N 404.478 1.828 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CC12COC2 1439087421 ISPIKQXEWHUGJS-OAHLLOKOSA-N 407.264 1.901 30 10 HDEE COc1ccc(-c2cnc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)o2)cc1 1439797197 PVOPCGBCOPEBME-MGPUTAFESA-N 415.471 1.680 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1447485322 MXYVJNZQCKTFAO-OTJKEOIZSA-N 406.483 1.729 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cn1 1448878174 ZJUHLBWCUPADHX-GOSISDBHSA-N 400.504 1.542 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3cn(CC)c(=O)nc3O)ccc2c1=O 1458043001 DKJFAMGFGKTYLO-UHFFFAOYSA-N 413.459 1.083 30 10 HDEE C=CCN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@H](Cc1ccccc1)C(=O)OCC 1458996546 IZBPWSNHDRXRSN-XLIONFOSSA-N 408.520 1.647 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 1460570777 AQRDVYDPQJDENX-IEBWSBKVSA-N 406.324 1.334 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)Cc1ccc(OCC#N)cc1 1462700374 RRDKFBZRGURHBE-UHFFFAOYSA-N 408.458 1.022 30 10 HDEE CCN(C(=O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 1462775026 CFDQZRJYBKQJIA-UHFFFAOYSA-N 414.487 1.661 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(O)n(C)n2)cc1 1464338770 HQYNXODDJGFFKT-PGMHBOJBSA-N 405.480 1.971 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1464772459 OSYLQOUDCKOIHH-MOPGFXCFSA-N 406.504 1.842 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1466800761 IDJSPYGZJBSITD-GJZGRUSLSA-N 403.446 1.594 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C#N 1467269420 IAAIVMPUTSRNTD-UHFFFAOYSA-N 412.425 1.889 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)c1 1472038084 CHVWYGVLFXHBQA-SFHVURJKSA-N 400.456 1.166 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1473789006 YBMOXPGYHWIOCT-MRXNPFEDSA-N 415.538 1.952 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(C)(=O)=O 1499152157 FTIDPWKWMDMVFD-UHFFFAOYSA-N 406.487 1.222 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOC2=O)cc1 1503116393 CFETYJASHJZCRG-KRWDZBQOSA-N 412.450 1.548 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CC(=O)N(CCOC)C1 1507621907 YOPXGUHVRPCXOV-SFHVURJKSA-N 420.517 1.845 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507637081 GYSKRVOEUXGJGV-LSDHHAIUSA-N 421.548 1.570 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1 1507659020 KOGVNFNHQQHEHI-OALUTQOASA-N 416.522 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(OC)CCOC1 1507659086 VTNKXFZVOXCZRX-NRFANRHFSA-N 408.462 1.194 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1507691117 YBLHFJHRHDCHOK-SFHVURJKSA-N 417.535 1.936 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCC(=O)NC 1507791666 PLBKDJRIIJNZDN-NVXWUHKLSA-N 406.531 1.360 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)CC1 1507884610 KKEVHLICUJUBSF-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)N(C)C)CC1 1507902089 SYQXQVIEXBDDPZ-UHFFFAOYSA-N 404.540 1.558 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCS(=O)(=O)CC 1507910445 RUQGRPFMPROSHH-UHFFFAOYSA-N 411.572 1.987 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccn(CC)c2=O)C1 1508126223 TYZOIGGMPOYNEI-IRXDYDNUSA-N 412.494 1.240 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1515940691 ZQTLQIOXAZHNSJ-ROUUACIJSA-N 416.574 1.385 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N(C)CC)CCOC1 1516179243 GXECOKPSVHVZAV-FQEVSTJZSA-N 404.515 1.539 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1516865117 WJGBATHLXFZQKE-YPOBSOSXSA-N 415.475 1.699 30 10 HDEE COC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1517714371 IAXSXNBXPAXTTC-MRXNPFEDSA-N 400.439 1.921 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)cc1 1534003120 OCMNVMJVJWZJBG-UHFFFAOYSA-N 415.471 1.868 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C(=O)OC 1535347483 UOKURQJPHUHUIY-MPGHIAIKSA-N 424.519 1.722 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(-n2cccn2)c1 1539024880 AKZPATAWRWYMAL-MRXNPFEDSA-N 404.478 1.487 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1539178838 KNHDFZQMKIPTNH-QGZVFWFLSA-N 419.507 1.189 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1539340778 QZJZLTMEGJTZQB-UHFFFAOYSA-N 413.482 1.910 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1539399275 JJZLOPNEBPVIFT-GOSISDBHSA-N 408.506 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[C@@H]2CCOC2)CC1 1539480906 GGBUGLNJLHQQOO-MJGOQNOKSA-N 415.538 1.912 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1539557351 REJYOZYWNFLSAP-DNVCBOLYSA-N 407.540 1.041 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CCOCC2)nnc1[C@]1(OCC)CCOC1 1540876558 VHJBLVXHTDXYSH-FQEVSTJZSA-N 407.515 1.095 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](C(F)(F)F)[C@H]2C(F)(F)F)C1=O 1544971540 BYFPOKHZLZCPOY-SCZZXKLOSA-N 415.290 1.695 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1555328534 SROJHADMSHXXLP-CQSZACIVSA-N 415.841 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H](CC#N)C(F)(F)F)C1 1558441909 CMCPYFMTHNVDGB-MNOVXSKESA-N 413.418 1.371 30 10 HDEE COC(=O)C[C@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1584519594 AFBHMFDQOSDQSD-BFUOFWGJSA-N 405.838 1.403 30 10 HDEE CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H](O)c1cccnc1 1587181274 TXPVQOVMAQUPHR-DBVUQKKJSA-N 422.441 1.088 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588064529 JUEUAUVZXIWGOE-AWEZNQCLSA-N 406.537 1.066 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1588124998 YAQBTHWGOIAUNZ-UHFFFAOYSA-N 410.503 1.439 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1588170389 FRPPRCWUDSSZPZ-IYBDPMFKSA-N 414.510 1.258 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(SC)CCN(C)CC1 1588214329 QCSHODHFZNZNKA-UHFFFAOYSA-N 411.579 1.969 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[S@@](=O)CC 1588481298 HHKCCUFQTCRENE-JWRCQZCYSA-N 417.510 1.777 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(O)(CC)CC)CC1 1588749829 AJPMZJDFDPVHHK-QFIPXVFZSA-N 419.570 1.625 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1588766184 RLPWQECZAKNHQV-UHFFFAOYSA-N 420.409 1.240 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1589070407 SRTBNYRLGGLHFZ-CVEARBPZSA-N 412.581 1.409 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NC(=O)COC)CC1 1589528693 IFQLTLZMSNYZIH-QFBILLFUSA-N 403.527 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1589545674 ONNREVBHYBXWBK-ULQDDVLXSA-N 412.556 1.634 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1593717760 KABBVJLGNOSGCI-SFHVURJKSA-N 415.494 1.498 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1595302953 IKQTZPNFZBVGPN-INIZCTEOSA-N 405.524 1.457 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)C1 1595665261 QYAHGAWWJZUJHN-WWMYMODYSA-N 419.526 1.536 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2)C1 1595673571 IAVMFVVKWFPPAI-SOUVJXGZSA-N 415.585 1.423 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595784405 FNMLGHDRULRRMP-BYICEURKSA-N 417.535 1.538 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)Cc3ccccc3F)C2=O)cc1 1596274798 XQJCOWWDGBOWEO-HKUYNNGSSA-N 424.432 1.622 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597138118 IVZUYGQCHQQNTG-CVEARBPZSA-N 400.541 1.917 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1608138106 JTOGKGLIDNRZOM-DNZUHHBVSA-N 418.494 1.809 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(O)cc2)CCOC1 1610903778 OUAUDMQFUROJET-GHTZIAJQSA-N 413.478 1.801 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1613343371 OMRZVOVSYDGNNR-JYJNAYRXSA-N 412.485 1.876 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[S@@](=O)C(C)(C)C 1613987741 YSOGBZJBGUNCQP-MUUNZHRXSA-N 402.524 1.923 30 10 HDEE N#Cc1cccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NCc4ccccc4)[C@H]32)c1 1616175290 SSKQLJOSPMSUGJ-OUUBHVDSSA-N 422.510 1.048 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1618589405 LDEKSQLZZLGESX-KWGJUECJSA-N 418.515 1.752 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)CCC1 1620483636 XADDOBYHMMUKRW-UYAOXDASSA-N 420.579 1.940 30 10 HDEE COC(=O)C(C)(C)N(CC(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1624958987 BFEINCDOIXXWHJ-UHFFFAOYSA-N 409.508 1.928 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](O)C[C@H]1c1ccccc1 1626291747 DTIWPBMIWXMCTP-AEFFLSMTSA-N 413.499 1.840 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1627294377 AOGXMPJTBOOGFF-POZUXBRTSA-N 414.487 1.657 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 1631784621 SZFPFGHLJCKGDX-GBESFXJTSA-N 406.571 1.778 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C1CCOCC1 1633418143 MFJHHBPGSDYMHW-PKOBYXMFSA-N 406.504 1.302 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)CC1CCN(C(=O)OC(C)(C)C)CC1 1633522430 IUMLMJIDXFSQHA-UHFFFAOYSA-N 403.545 1.876 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)OC 1634884601 KRRXFDVIIMFVCR-BBWFWOEESA-N 408.495 1.983 30 10 HDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1 1634976424 YNAFWYPYUINLLS-UHFFFAOYSA-N 403.460 1.694 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(CCC(=O)OC)CCCCC1)c1cc[nH]n1 1635739712 UTHSXAPPPLGMRT-UHFFFAOYSA-N 408.455 1.466 30 10 HDEE COC(=O)c1cc(C)cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1636349245 BTEAUYUZHCJBLT-ZDUSSCGKSA-N 401.444 1.959 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C[C@H](C)O)C3CC3)nnc12 1638860201 LOFWGKHEOVSWQP-ZDUSSCGKSA-N 413.503 1.694 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)C(=O)OC 1639558582 LVYWEVGPXJKRBU-BBRMVZONSA-N 422.482 1.608 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1640794149 KCSNKHYRQVRYPD-HZPDHXFCSA-N 403.284 1.290 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1641574138 GDEKFXSRTBUUMJ-KRWDZBQOSA-N 402.472 1.240 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1643150856 MTVPBYGPVHGNFG-CABCVRRESA-N 401.916 1.852 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)s1 1643188326 KRHLGXSNYSRGPR-QGZVFWFLSA-N 421.500 1.618 30 10 HDEE N#Cc1ccc(CN2CCN(S(=O)(=O)c3[nH]cnc3Br)CC2)cc1 1653386405 FHIFIFFVYDOEKF-UHFFFAOYSA-N 410.297 1.550 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 1654510776 RYOUQYYXIWKKKH-RNIPGJKVSA-N 400.500 1.891 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1663414638 SREFXTABARYJHM-LLVKDONJSA-N 424.338 1.559 30 10 HDEE C#CCN(C(C)C)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1664376647 SGKGYJPFGRVCRS-UHFFFAOYSA-N 400.522 1.048 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(C(=O)OC)ccc1Br 1665019725 KUUPSLSXIVOZBA-UHFFFAOYSA-N 404.307 1.975 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 1666970382 BUJKVIIACSRGNH-UHFFFAOYSA-N 409.508 1.718 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)CC1 1667179194 CIJYOOKQYAUJBC-UHFFFAOYSA-N 420.535 1.699 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1670753794 ZMGYNXMPVVQLCL-UHFFFAOYSA-N 415.537 1.355 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)Cc2ccc(Cl)cc2)CC1 1677551394 MKPVOHXRXPUMBV-KRWDZBQOSA-N 412.943 1.456 30 10 HDEE CO[C@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1 1682631666 VSBKZWWCCHLLCF-WMLDXEAASA-N 415.450 1.689 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1686368821 VYTKRNDUEKKTSH-SFHVURJKSA-N 417.481 1.013 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1689855472 WGZCJEUCZZQKLO-OAHLLOKOSA-N 407.515 1.794 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCSC1 1690026849 NYNVWHOOYPALMC-HXUWFJFHSA-N 400.479 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1690046302 AKMSNXGYXONCCO-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC(C)CC1 1690102392 KCAWSTMRCHNYRL-ROUUACIJSA-N 402.543 1.436 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690167759 ORLBTFJWWGHEQH-LJQANCHMSA-N 417.560 1.722 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1690246578 VQXFRNMZKWEUPM-XHSDSOJGSA-N 410.540 1.387 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1690527241 LWABZWHNWZNVBO-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccn2)CC1 1690671594 ZRJFIOMOOIBVAJ-QGZVFWFLSA-N 411.510 1.196 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1690676137 QPUHFUPDAWNGAQ-HUUCEWRRSA-N 403.458 1.912 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1691811441 PDHBHKNJRCXENG-UHFFFAOYSA-N 421.461 1.959 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1692870513 ICZGVFYFQFLTCR-RDTXWAMCSA-N 404.858 1.528 30 10 HDEE CNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696999255 CPHYEHRCWLFDRO-KRWDZBQOSA-N 424.465 1.166 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC2(O)CCOCC2)c1 1705505090 IFTCPMYMLXROPI-UHFFFAOYSA-N 409.490 1.753 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(C(F)(F)F)c1 1705551419 NJAIYUNAZMPSHW-CYBMUJFWSA-N 413.425 1.712 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1ccnn1 1705630877 KAZPVVNVXRCROP-QZTJIDSGSA-N 415.542 1.965 30 10 HDEE C=C(C)COCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705740111 BQFSIBYGIZKEAH-FUHIMQAGSA-N 408.499 1.473 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705828470 OROPIPOEJYXFFJ-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=CCCOCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1705832977 PUYNKRMKJJNELH-XLIONFOSSA-N 405.499 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSC[C@@H]1C 1705899045 GRNFZFOMFBUWDZ-ZDUSSCGKSA-N 401.492 1.918 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1705924162 TXIHVPNMFAGUMC-LSDHHAIUSA-N 403.449 1.885 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1706603072 ICFNOQUATMHXFB-IBGZPJMESA-N 417.420 1.636 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1706745501 BQKGCXVRWWMMBI-KRWDZBQOSA-N 413.574 1.691 30 10 HDEE Cn1nnc(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)n1 1711283378 IFYWMMPTQZYKDM-KRWDZBQOSA-N 401.381 1.010 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC[C@H]1C 1712090668 YUQCFPYKGVNDLT-VQIMIIECSA-N 422.493 1.882 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@H]1C 1712521860 NIUOOXZURRYEBN-SJORKVTESA-N 406.531 1.463 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSCCCO 1722279173 AFRUDXKVDWLBJG-OAHLLOKOSA-N 412.523 1.494 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722353323 NUXWATABHFLCLU-HXUWFJFHSA-N 422.533 1.556 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN(C)C)c1 1722386030 SYXWWVMBUQURED-UHFFFAOYSA-N 404.518 1.583 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(NC(C)=O)cc1 1722386229 XKINSFKRFINICX-UHFFFAOYSA-N 418.501 1.674 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(SC)CCN(C)CC1 1722429977 XYAGRWOIPVVIQG-KRWDZBQOSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1722433979 JTTXJOOANXCUHW-UHFFFAOYSA-N 401.518 1.834 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCOC[C@@H]2C)CC1 1722439989 XSVIRUKTJBLEBJ-SFHVURJKSA-N 414.579 1.406 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2N(C)CCCC2(C)C)CC1 1722447182 IUQZRZLQNAWCCY-GOSISDBHSA-N 400.571 1.927 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722510739 UNEQTRJVEHABOI-VYDXJSESSA-N 414.514 1.354 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1722517962 QQBOOOFXLZPZOM-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722537584 OMFSJKYSPMQWRZ-QZTJIDSGSA-N 407.515 1.454 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1722863739 MIBLUWLRVBLZBH-CABCVRRESA-N 424.571 1.691 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1723893758 NMDWNIUGKMBGGD-CQSZACIVSA-N 414.491 1.646 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1726418650 APBQFOTYUVVKJH-BZPMIXESSA-N 423.543 1.893 30 10 HDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1730151667 BZAANGFXFGLGFY-ZDUSSCGKSA-N 419.511 1.080 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1740530982 CMTYKTLHKNJNJM-CVEARBPZSA-N 404.478 1.842 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1740609979 QYVYRWRFPCLUQR-HZPDHXFCSA-N 418.519 1.726 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCN(C)C(=O)OC(C)(C)C 1740613247 YZOXMSSOFLROHI-UHFFFAOYSA-N 404.515 1.727 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740617665 VBKPYDRLQXJDIA-SQNIBIBYSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740626811 NHIIECXDKUFTIO-SJORKVTESA-N 424.567 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCC[C@H]2CC)CC1 1740695246 KDENXURSKUIFRO-HXUWFJFHSA-N 410.570 1.698 30 10 HDEE C=C(C)Cn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@@]1(OCC)CCOC1 1740785239 QDXORZVJNZAMRV-GOSISDBHSA-N 411.457 1.999 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740947989 OFPHGSKCNQAQHN-QGZVFWFLSA-N 406.494 1.848 30 10 HDEE C=CCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740949833 ULYRHBPOVVQMJB-KKSFZXQISA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740955929 ISALQSQCTPRUDS-GXTWGEPZSA-N 410.400 1.798 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCSCC1 1740988254 YLIWJPKIZDIROY-UHFFFAOYSA-N 403.533 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1740990459 AJHQOZKSBMQYHN-UHFFFAOYSA-N 419.555 1.207 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740995225 DUEMFPVFWHPLOV-DNVCBOLYSA-N 409.556 1.720 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(F)cc1 1741925062 GGIPVEOTHXQDAS-SCLBCKFNSA-N 424.477 1.712 30 10 HDEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1742885853 ANOLXZNBZHKOBQ-UHFFFAOYSA-N 421.461 1.708 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1743358923 OYZSWPWSYWDJQO-ZJYNUGOYSA-N 408.462 1.697 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1748756726 TUWPDJXFNWUNMM-LJQANCHMSA-N 423.565 1.714 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1749666155 IEBPDUDCIRVFSP-RYQLBKOJSA-N 424.505 1.498 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1749666157 IEBPDUDCIRVFSP-SZMVWBNQSA-N 424.505 1.498 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(OC)cc1 1749671099 ZAEZYONKHDNRKN-MSOLQXFVSA-N 424.505 1.882 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC=CCO1 1749831387 ZTAOOVMUZJQMAK-OAHLLOKOSA-N 414.466 1.717 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750380396 QHISRPTULDMZOM-BONDDZEJSA-N 413.457 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccc(C)cc1 1760219161 WZASYOCBRGQPSB-FQEVSTJZSA-N 405.502 1.983 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760359092 GSMFDQDLQKMQRY-INIZCTEOSA-N 414.514 1.355 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760449504 LZQRDZHUJHRCNZ-NRFANRHFSA-N 416.526 1.953 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1760450723 QOWMIPDXWUWLPU-KRWDZBQOSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760514294 ANYPQZXMYWNGCX-QGZVFWFLSA-N 416.526 1.069 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765258423 YNSXZSPLBUGNJI-RMYFCYLKSA-N 411.466 1.415 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1770349384 ZFQSZIJOKLECHK-IAGOWNOFSA-N 410.478 1.597 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)ON2C(=O)c3ccccc3C2=O)ccc1Cl 1772789021 MEPKSFVVHALDMC-UHFFFAOYSA-N 424.818 1.890 30 10 HDEE COCCN1C(=O)COC[C@H]2CN(C(=O)c3cc(CC#N)ccc3Cl)CC[C@H]21 1848944305 WXOJCLOLZUGWMC-CRAIPNDOSA-N 405.882 1.742 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCC(COc4ncccc4C#N)CC3)C2)no1 1849780694 GXJYSAYIOCYPKJ-UHFFFAOYSA-N 409.446 1.639 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)C1 1851793510 OFYBHWMEBHDFBM-LSDHHAIUSA-N 404.423 1.253 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)COC1(C)C 1852095792 SGKAFHHZQSQZPP-GJZGRUSLSA-N 418.450 1.989 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)cc2)c1C(F)(F)F 1852142038 QJHXYNKCZARXBG-NSHDSACASA-N 412.393 1.927 30 10 HDEE CN(CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)C(=O)c1ccccc1 1852234613 GMZZAOXTTOHTMX-UHFFFAOYSA-N 407.474 1.391 30 10 HDEE C#CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1852292928 IUKSSAOCTDRDRF-UHFFFAOYSA-N 400.456 1.972 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)N=c1[nH]n(-c2ccccc2)cc1C#N 1853134786 AQFHOJJOICZWML-UHFFFAOYSA-N 419.445 1.191 30 10 HDEE N#Cc1cnn(-c2cccc(C(F)(F)F)c2)c1NC(=O)CN1CCCS1(=O)=O 1853373144 YVRYYYPJBNRYGR-UHFFFAOYSA-N 413.381 1.737 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@H]1CCS(=O)(=O)C1 1853850445 OXHJTMUQXGUBJV-PBHICJAKSA-N 424.482 1.912 30 10 HDEE CCc1ocnc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854202852 SEBLGMZJLDISCV-SFHVURJKSA-N 407.474 1.668 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)C1=O 1854226200 GLDQUZOFTKAUAI-DLBZAZTESA-N 405.495 1.764 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CCCOC3)C2=O)CC1 1854743508 KKEMATKTNZXUAD-RTBURBONSA-N 411.506 1.410 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)C[C@@H]3CCCCO3)C2=O)C1 1854871525 ZOIKZBMSYAGNLT-QFBILLFUSA-N 412.490 1.883 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cccc(F)c2)C1)C1CN(c2nccnc2C#N)C1 1856228151 KAXOWASQLSGSQK-AWEZNQCLSA-N 408.437 1.297 30 10 HDEE CN1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)[C@@H](C2CCOCC2)C1 1856359403 VYDNZDPHHQCYCX-WIYYLYMNSA-N 410.518 1.590 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(Cc4ccncc4)CC3)CC2=O)ccn1 1856643123 CWSIDJSYYFYVNB-SFHVURJKSA-N 404.474 1.155 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2=O)CC1 1857069988 FNUHHJXMFBPUJB-GOEBONIOSA-N 403.433 1.638 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2c(C)nn(C)c2C)C1)[C@@H]1CCN(C)C1=O 1857076643 MMFCFTLCNMQUJB-DLBZAZTESA-N 401.511 1.134 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N=C3CCN(C)C(=O)N3)CC2=O)cc1OC 1865922887 VVCZSDILWDOTJN-CQSZACIVSA-N 402.451 1.065 30 10 HDEE CSCC[C@@H](C(=O)N(CCC#N)[C@@H](C)C(=O)O)N1C(=O)c2ccccc2C1=O 1866331289 HSHOQUIAWZFUCG-WFASDCNBSA-N 403.460 1.620 30 10 HDEE Cn1nnnc1SCc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCCO 1870233228 ZRCXMYVUJIOALS-UHFFFAOYSA-N 412.475 1.497 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C#N)(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 1884184016 GMGGSDBBSYPDAB-LHSJRXKWSA-N 415.446 1.563 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cnn(-c4ccccc4)n3)CC2)CC1 1889517156 ZLKAYBPOPYZBDZ-UHFFFAOYSA-N 422.533 1.139 30 10 HDEE C#CCN1CC[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2083729281 QUNGTWPNURXRDT-MRXNPFEDSA-N 403.504 1.080 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@H]1CS(N)(=O)=O 2181131159 QQWUWSUIPCQSLP-UONOGXRCSA-N 402.517 1.243 30 10 HDEE CO[C@@H]1CC[C@H]1CS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2239423546 REWGHFMWNVSSNM-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C[C@H]3CCC3=O)n2)OC1(C)C 2241156392 BYNALGIKTDMFKI-SNVBAGLBSA-N 400.693 1.755 30 10 HDEE C[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247816643 FBFXOLUUDZJDHS-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE Cn1nc(C(=O)NOCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823977 SZCPEDRJMCIFOH-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248439505 AIECFKZAVIPPQD-CYBMUJFWSA-N 421.303 1.595 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267377509 FJCCQPJNJYMRTI-DEOSSOPVSA-N 409.360 1.480 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)s1 2267721800 RLKLKBCGXMXQGV-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C#CCCN(C1CCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270528407 DHLPWBDZNHSZTL-GOSISDBHSA-N 422.503 1.662 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277739177 XFPGPKOYSLYPNG-SECBINFHSA-N 423.271 1.734 30 10 HDEE CC1(C)OB([C@H]2C[C@@H]2C(=O)NCCCNS(=O)(=O)C(F)(F)F)OC1(C)C 2281931235 SKSVOCQKFBUQAV-UWVGGRQHSA-N 400.228 1.414 30 10 HDEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2282019752 QERKTWRUJXYXSW-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331541 OWDYVFFQUINOPG-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE CC[C@@H]1CNCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336346 BQJBTKRYAXWYOY-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336538 FRBKMVBHILDVDF-LLVKDONJSA-N 402.347 1.192 30 10 HDEE C[C@@H]1CNC[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282339374 XSQJOMILKQVURF-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CN)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282408557 JALBYXCQPMESJD-SECBINFHSA-N 414.280 1.524 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC2(CO)CC2)OC1(C)C 2282503296 XXDMQSYUAUNTAQ-UHFFFAOYSA-N 402.347 1.024 30 10 HDEE CCSC1CN(S(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282509930 RHFHXYSJNQPDNE-UHFFFAOYSA-N 401.363 1.154 30 10 HDEE CC1(C)[C@H](O)[C@H](O)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282651580 CDBHRTBQSLYLLP-ZWNOBZJWSA-N 401.721 1.657 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)C[C@@H](C)N 2282832060 IWTDEVXNJZZBCM-JUTIIYIPSA-N 422.403 1.489 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(C)CCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282833589 JAGHZRPZWPBUAJ-SJKOYZFVSA-N 401.359 1.938 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H]2[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282842959 GBLBIAZRMJAYIF-GWCFXTLKSA-N 401.359 1.808 30 10 HDEE C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854302 PUUZTDZADOIMQR-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC(C)SC1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282855466 FESMNKRGYSUBPY-UHFFFAOYSA-N 401.363 1.234 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1C 2282856552 USFILMOKKYLVFK-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282862037 XWEVKZOAWQVMGV-YMXBGEKHSA-N 401.359 1.373 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)OC1(C)C 2284401245 GDZVIRIHYHANEY-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE C=CC[C@@H](N)[C@@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314268123 VHDUTBKDFRFDML-SJORKVTESA-N 405.520 1.616 30 10 HDEE Cc1csc2nc(Cl)c(C=NNC(=S)NCCCN3CCOCC3)n12 2330418949 NIUCGKXJVUIACP-UHFFFAOYSA-N 400.961 1.878 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2339054211 SCBISMBIJYYTHE-SSDOTTSWSA-N 414.123 1.866 30 10 HDEE CCc1csc(C#C[C@H](N)[C@H](O)c2cc(I)nn2C)n1 2363991001 ZIYSGAYMHCBCFA-ZANVPECISA-N 402.261 1.456 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 2365200897 CJBNGGVCTMTNTO-KHYOSLBOSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C 2365210144 JLDIIDZOSRVHPM-PMPSAXMXSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365214328 ZJQRTNZCSMTCQK-HUUCEWRRSA-N 402.557 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367801101 OYFYDFNRLQJKHI-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367802772 DWPASEKLSCPSSC-GJZGRUSLSA-N 402.557 1.993 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@@H](S(=O)(=O)C(F)F)C2)C1 2368508143 NQRWOERUVPHRAR-VMBJYNEYSA-N 406.451 1.531 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)[C@H](CC)NC(=O)OC(C)(C)C 2372803642 IABZVGUVIVSZTC-QWQRMKEZSA-N 404.529 1.808 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 20292983 NJZRLZJOTWCNOC-AWQFTUOYSA-N 401.452 1.448 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccccc2)c2cccs2)CC1 22849274 YJXZUTLKNRDEKI-JOCHJYFZSA-N 412.559 1.874 30 10 HDEE CC1CCN(c2nc(-c3ccc(S(=O)(=O)N(C)C)cc3)c(C#N)c(=O)[nH]2)CC1 223968135 OXMHCEOWARNFEJ-UHFFFAOYSA-N 401.492 1.795 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)C1=O 410115337 KNUXENIZXHTRGF-GPMSIDNRSA-N 401.511 1.355 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443319842 MXAQMNWWXPWPEB-UHFFFAOYSA-N 417.281 1.399 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)n(C)n1 446941482 KWVIBALNCSEOEK-IAGOWNOFSA-N 423.525 1.279 30 10 HDEE N#Cc1cccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 466708358 YAPGJVSDYLWJIE-UHFFFAOYSA-N 423.498 1.689 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nccn(C)c2=O)CC1 466745761 LHTOWZWQNOIQJZ-INIZCTEOSA-N 412.469 1.377 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473442596 JGRGORCPXVUQAI-DOTOQJQBSA-N 417.418 1.402 30 10 HDEE N#Cc1ccnc(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1 473757833 WEPSCFRRCLBPLB-UHFFFAOYSA-N 406.489 1.929 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 473854044 NOQRQCBRUVMHFO-UHFFFAOYSA-N 405.520 1.489 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](OC)C[C@H]3CC(=O)OCC)cc2C1=O 479039575 GSNGZYIVZGJZCA-GJZGRUSLSA-N 400.431 1.651 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 481759348 WDTLOPXCNNMGMX-XIRDDKMYSA-N 423.560 1.738 30 10 HDEE N#C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccc(Br)cc1 499404364 IRLBTFJVSWCOOP-ZDUSSCGKSA-N 412.269 1.064 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCN2C(=O)c3ccccc3C2=O)CC1 516166433 NEIMNUNYTYRESB-UHFFFAOYSA-N 404.430 1.081 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)cc1C 518720264 LMXURCFTJCKRON-UHFFFAOYSA-N 409.511 1.652 30 10 HDEE CCOc1ccc(C(=O)N2CCC(Nc3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc1 520025397 AIQPXBHDYZZOJJ-UHFFFAOYSA-N 411.462 1.071 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H](C)CN3CCOCC3)c(C#N)c2N)cc1 541248774 IDOIFYGMUXVIAL-KRWDZBQOSA-N 410.522 1.652 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 553079537 VCKBPVKWFVSDGZ-PMUMKWKESA-N 401.529 1.472 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)ccc1C#N 554970370 HMLWFIIYEWUVFH-UHFFFAOYSA-N 413.452 1.556 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 590913940 BLYAXHJAZPCVBB-INIZCTEOSA-N 415.490 1.257 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 609743944 SWHDHTUSKYNGEF-HNNXBMFYSA-N 401.448 1.901 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 610358136 HDNLQJUQBCNKID-UHFFFAOYSA-N 418.478 1.452 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2F)c(=O)n1-c1ccccc1C 619695364 XHHJXBXDPMQFQO-UHFFFAOYSA-N 423.469 1.604 30 10 HDEE C=C[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 717552919 UQFPCOUFHFQQBH-SSDOTTSWSA-N 400.092 1.619 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc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c2ccccc21)C(=O)OCC 734025205 GGSMETKKTXWDTK-HNNXBMFYSA-N 406.460 1.653 30 10 HDEE C[C@@H](CC(=O)NCc1cccnc1-n1ccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742521322 LGHSOECFUVGOAG-AWEZNQCLSA-N 424.486 1.401 30 10 HDEE C[C@H](CC(=O)NCc1cccnc1N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742538980 RLDAKRUUJROZBA-CYBMUJFWSA-N 401.492 1.281 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 743493470 UZSONNLIADMJLV-HNNXBMFYSA-N 422.507 1.643 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 746120731 UMKVFJROVMTKTJ-HMWBCQRISA-N 400.460 1.443 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CCN1C1CC1 758456521 RFBOSWXOMFTNMC-AWEZNQCLSA-N 412.309 1.745 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 758644565 MQZNARZEGJTIKV-GOEBONIOSA-N 406.508 1.716 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C1 761690094 XPMJZSWBOFGAMK-HOTGVXAUSA-N 403.483 1.979 30 10 HDEE COc1cc(C=NNc2ccc(C(=O)O)cn2)ccc1OCC(=O)N1CCOCC1 763370174 MLHUMRXDAKNWOK-UHFFFAOYSA-N 414.418 1.472 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)c2C)nn1 771074949 WLVCKYAERVFFPC-UHFFFAOYSA-N 404.452 1.123 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@H]1CCOC1)c1cc[nH]n1 772518039 MVQPNCIZTFYPAD-MAUKXSAKSA-N 400.435 1.588 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774018205 SBDZAYDTJUMWAY-LBPRGKRZSA-N 406.432 1.337 30 10 HDEE C#CCN(C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 774228304 RZDOXEBFKRGRBL-UYSNPLJNSA-N 413.540 1.654 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774233170 GTAYYJOEVWHDHD-MSOLQXFVSA-N 403.504 1.322 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCC(C)(C)O)C1=O 774252011 NMWXWJKSXVXEKK-INIZCTEOSA-N 424.542 1.986 30 10 HDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 774271825 KBXNIAFQRQIKNI-OAHLLOKOSA-N 406.483 1.904 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c(C)s1 780914100 FLPSLVKXFKKZSA-GOSISDBHSA-N 419.528 1.803 30 10 HDEE CCCC(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787050749 FCNSLUMITHSODM-NVXWUHKLSA-N 400.435 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)n1 790109331 WMNMCIXOLZDQBY-UHFFFAOYSA-N 411.462 1.722 30 10 HDEE N#Cc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1F 791313310 BZASFOLWKHJFCW-UHFFFAOYSA-N 417.418 1.175 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(CS(C)(=O)=O)cc2)cc1C#N 793484800 XFOGVNCRVYMBDV-UHFFFAOYSA-N 415.471 1.044 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccnc(C#N)c2)cc1 795972060 OPUUGHHLDWOHBH-CYBMUJFWSA-N 416.459 1.824 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CCC3)c2=O)cn1 814252837 LCMSGWCPLJINAU-UHFFFAOYSA-N 413.547 1.517 30 10 HDEE COC(=O)c1cc(NC(=O)COC(=O)c2cscc2C#N)cc(C(=O)OC)c1 814615351 VLLLSHJCFGCKMM-UHFFFAOYSA-N 402.384 1.988 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)C2)ccn1 856542927 MHTPFQKSZBXUCY-APWZRJJASA-N 409.556 1.713 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nc1 858077327 BJRIBEKGCQZMQJ-MRXNPFEDSA-N 400.460 1.220 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CCOC[C@@H]1C(F)(F)F)NC(=O)OC(C)(C)C 883979588 QDCQXJYVSBXSNU-NWDGAFQWSA-N 410.389 1.789 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(CCCC)cc3)C2=O)CC1 913099675 LKHYFJIEDPMQAA-FQEVSTJZSA-N 412.534 1.581 30 10 HDEE Cn1nc(CC(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 916967189 WVLQHVGZCZZIHK-INIZCTEOSA-N 418.409 1.595 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CCN2CCCC2)CC1 1135693381 FKMZVOKAYBLBBY-SFHVURJKSA-N 407.559 1.814 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)CC2(C#N)CCOCC2)C1 1142597956 ZQEIXJWAXQEBIR-INIZCTEOSA-N 422.526 1.576 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C/CN2CCOCC2)n1 1143259031 DPBZRYXERLDZKU-ONEGZZNKSA-N 406.537 1.627 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1S(=O)(=O)NCC#N 1149508617 YINNRWPZYYPVTQ-UHFFFAOYSA-N 423.498 1.631 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)cc1 1154283023 BUMDBPNEPLRJQH-OAQYLSRUSA-N 418.515 1.883 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)CCCN1C(=O)OC(C)(C)C 1158853225 UAGMZCZNBLBNMA-BTYIYWSLSA-N 415.494 1.990 30 10 HDEE C#CCOCCN(C)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1160098295 ZPGUBIJFPPTSAJ-UHFFFAOYSA-N 403.298 1.226 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1163725711 AJYHRGKDEHKBPT-HRCADAONSA-N 422.551 1.119 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C)(N3CCOCC3)CC2)c1 1213339054 OVNZOACIFIGEEP-UHFFFAOYSA-N 407.536 1.478 30 10 HDEE C=CCN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H](C)COC 1221821742 UDQDAXDQMDPGDI-ZWKOTPCHSA-N 418.542 1.515 30 10 HDEE Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N(C)C 1227975683 PNWBIAFUGXUGAB-DUPRYPCISA-N 404.536 1.566 30 10 HDEE COc1cc(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1C#N 1266367412 XUKHIDHQKJPLHR-MRXNPFEDSA-N 405.410 1.704 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1286273971 LSNFYCRJZOSJSX-LZWOXQAQSA-N 403.508 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1286408239 BPDOMNLIAXQGLJ-UHFFFAOYSA-N 418.523 1.047 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@H]1C 1286460859 KRRVRPNZNIJXIY-IIBYNOLFSA-N 412.494 1.563 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2OCC=C)CC1 1286469935 OYIMCLMSUQITPP-UHFFFAOYSA-N 422.533 1.785 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC(C)C)N(C)C 1286517986 XRPZZQWVXIFSTB-ABSDTBQOSA-N 424.615 1.857 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)C(=O)C1 1286634091 QFSFODIXVAIGMS-HOCLYGCPSA-N 413.906 1.050 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286712219 UNXHDQCIXVEAMI-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCC2)C1 1286790088 ZNXLGNPZYJMNGY-IBGZPJMESA-N 409.538 1.631 30 10 HDEE COc1ccccc1-c1ccnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 1288071843 ZHQAQKUTXQXGGF-UHFFFAOYSA-N 423.454 1.829 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1288976821 FQHXOZOPOKZNKQ-SUMWQHHRSA-N 414.432 1.981 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C(F)(F)c2ccccc2C#N)C1 1292496496 KYNLDTINQDMAGH-HNNXBMFYSA-N 407.417 1.910 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1300468350 ZTSWELUGBYHBMR-UHFFFAOYSA-N 412.494 1.627 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc2c(c1)OCO2 1300635456 MWZYLRUFTBXOLD-UHFFFAOYSA-N 411.462 1.668 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)C2CC2)CC1 1300726266 JPZOVLOBFZRGJR-FQEVSTJZSA-N 422.533 1.655 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1300988615 HSUQGHCZUHNZNG-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301196505 CQVVXRGUOGFTAC-GJZGRUSLSA-N 424.571 1.350 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2noc3ccc(Br)cc23)c(=O)nc1O 1301214079 ZHRZTPJJXAURGB-UHFFFAOYSA-N 418.207 1.083 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1301425629 WNQGSRSICWANDY-MRXNPFEDSA-N 408.528 1.024 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(F)cc2C1 1301475293 PALAUBDYVHJELT-UHFFFAOYSA-N 412.469 1.518 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301491400 QNPGEHTTWVNHAT-OAHLLOKOSA-N 413.482 1.357 30 10 HDEE COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301835044 KCXBRGFTVCYSOF-JKSUJKDBSA-N 412.498 1.195 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)n(C)c1 1304491048 NNKHSXOTNGDSHG-UHFFFAOYSA-N 421.548 1.769 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(Cl)ccc3ccccc23)CC1 1309229446 WJJHAZPHLVLBSB-UHFFFAOYSA-N 419.934 1.939 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CS1(=O)=O 1312469089 IYHCABBJUBYYBS-RFGFWPKPSA-N 400.501 1.010 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1312788964 NYFDAKYPDNJRRJ-UHFFFAOYSA-N 401.555 1.414 30 10 HDEE COc1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(C)c1 1321747531 JKGYBVYDTDHYCD-OAHLLOKOSA-N 413.455 1.733 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1358885878 SRZFFNDUADBXOC-HNNXBMFYSA-N 422.489 1.191 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1358929787 IDJVWHHXTWTKBR-LJCCNALRSA-N 422.551 1.366 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1358962509 QUAHBWKXXHEZQI-WMZOPIPTSA-N 405.568 1.514 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964301 XCRJOMZTYZSHFM-YLJYHZDGSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1ccn(C)n1 1358976572 JCUWMCPVMJTLHG-UHFFFAOYSA-N 412.457 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1359026526 ATWXLVDZHKUINV-UHFFFAOYSA-N 416.873 1.168 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](COC)OC)CC1 1359045068 VSTNZSNJMWYPNH-ZWKOTPCHSA-N 419.526 1.147 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1359215224 XNODGPFZRDKGDZ-SFHVURJKSA-N 402.543 1.744 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1359292577 SLVHBRYUHJTGMN-UHFFFAOYSA-N 410.522 1.975 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1359306450 GUPYBACNTBBXAM-XMSQKQJNSA-N 411.506 1.838 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C2CCC2)C1 1359318572 HVJDEIWRAOUVEJ-GOSISDBHSA-N 413.526 1.766 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1 1438602751 PPSMXZBQNRQMTK-UHFFFAOYSA-N 413.521 1.698 30 10 HDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1440211366 JGVNSBHLPFCTCM-UAGQMJEPSA-N 412.446 1.611 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1440615395 BVKDPHNVSIJFDY-KRWDZBQOSA-N 421.542 1.340 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 1443356728 KBGYHVKBWDRFDF-UHFFFAOYSA-N 420.513 1.804 30 10 HDEE C=CCN(C(=O)C1=CN(C)S(=O)(=O)N=C1C)[C@@H](Cc1ccccc1)C(=O)OCC 1447730017 MRQUONJABJWDAU-SFHVURJKSA-N 419.503 1.710 30 10 HDEE COC(=O)/C=C/[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1457274784 ASQXXXYPVRXZEG-SMDADKPZSA-N 405.476 1.193 30 10 HDEE COC(=O)[C@@H](Cn1ccnc1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1457772618 GNDNQNCJGPGOSB-LSDHHAIUSA-N 407.471 1.518 30 10 HDEE N#Cc1ccc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1Br 1458274611 CVSDPQJSVNATOF-HNNXBMFYSA-N 414.325 1.952 30 10 HDEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1462108736 JUFBTZLKLBLYJR-DNVCBOLYSA-N 408.476 1.557 30 10 HDEE COc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1462310136 AEVVWEITRMBUJK-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE C=CC1(CC(=O)NCCNS(=O)(=O)c2cccnc2)CN(C(=O)OC(C)(C)C)C1 1466242066 DRGCSGJRLUFNLH-UHFFFAOYSA-N 424.523 1.289 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@H]2c2cccn2C)cc1S(=O)(=O)NCC#N 1466770447 NUGAWJICCSSFOS-KRWDZBQOSA-N 402.476 1.349 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1468720898 HUGATGXLXLUJAJ-UHFFFAOYSA-N 404.286 1.312 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](CO)c2ccc(F)cc2)s1 1469012129 GRATZJBGKIFJBV-CQSZACIVSA-N 412.508 1.786 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCO)c2cc(Cl)cc(Cl)c2)C1=O 1470861126 RBEXJLMDHKNBFC-CYBMUJFWSA-N 414.245 1.510 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NS(=O)(=O)c3cnn4c3OCCC4)C2=O)cc1 1475187881 BULDFTLCNXIOAO-OAHLLOKOSA-N 401.448 1.011 30 10 HDEE C#C[C@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)c1ccc(Br)cc1 1475334600 UCSCZWJBVJAKGR-HNNXBMFYSA-N 415.309 1.843 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1 1476041481 GUHAYCAVFMAUKQ-UHFFFAOYSA-N 411.462 1.707 30 10 HDEE COc1ccc(CNC(=O)N(C)CCc2cccc(C#N)c2)cc1S(N)(=O)=O 1478755957 RWHIDDCFIDSRCH-UHFFFAOYSA-N 402.476 1.598 30 10 HDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504488972 CUWZAFJPOCYZNE-NZKCYVOASA-N 416.482 1.271 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1505320591 OFRSWDYJHIQOED-DLBZAZTESA-N 424.496 1.878 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1507516733 MMABITYPQSDLJQ-QWHCGFSZSA-N 409.487 1.542 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1507583734 WACYGBVWAZHJBP-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507591103 JCRGWBFPYZXJRW-KRWDZBQOSA-N 416.526 1.106 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1507594242 BEMSDFLGPLSBMY-MRXNPFEDSA-N 412.469 1.966 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)CN1CCOCC1 1507612641 YECVALJNGBQIEQ-KRWDZBQOSA-N 413.522 2.000 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(C)=O 1507653232 PNNAWNZVIDZAFK-UHFFFAOYSA-N 403.446 1.193 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507653567 OPSYMVGPOMRQDB-KRWDZBQOSA-N 424.505 1.110 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H]1C 1507667526 NWCSCBFQGLOCJG-KRWDZBQOSA-N 408.506 1.953 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1ncn(C)n1 1507703385 WBGBEVPTKVUGGY-OAHLLOKOSA-N 413.457 1.820 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCO[C@@H]2CCOC2)CC1 1507724115 HJBUOQJVQQOIHK-HXUWFJFHSA-N 410.522 1.215 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1507752534 AFJQPBMAKGBVJY-NVXWUHKLSA-N 403.552 1.771 30 10 HDEE C=C(Br)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1C(C)(C)C 1507792034 DCAQHQPMKXPXLI-UHFFFAOYSA-N 400.321 1.955 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507803582 HTPORHIYXPUCKX-GOEBONIOSA-N 402.499 1.342 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507842835 MYDXFIFBPOWNTH-MRXNPFEDSA-N 413.482 1.339 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCO1 1508090885 KKUOOKYQOGPYJL-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@@]1(OC(C)C)CCOC1 1508093749 JNNFGCFYJVAZTE-WHSLLNHNSA-N 403.527 1.856 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508112720 RCNDDUUBTSNLDQ-IRXDYDNUSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508133316 HBXGTPSJJQHNDO-CABCVRRESA-N 419.507 1.162 30 10 HDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1513502068 VHIAYEGMJWHQHL-SFHVURJKSA-N 424.505 1.965 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CCO1 1517533623 FBHGMYASVLRXMY-ZWKOTPCHSA-N 408.462 1.113 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1520582718 GMCQTWLSLZAONL-CZUORRHYSA-N 413.293 1.787 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1520658915 AEFXCIRNZUHAKY-YYAJDYIMSA-N 407.540 1.735 30 10 HDEE CC(C)(C)C#CC(=O)N1CCC(OC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1522037911 JVYRILFJEWXUQT-IYWGDAJJSA-N 400.519 1.678 30 10 HDEE C#CCN(C(=O)NCc1cc(Cl)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1528205592 KSEQJOSUSIWOLI-ZDUSSCGKSA-N 400.884 1.689 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)C1=O 1530490333 IOPKWDDHAFVIDT-QZTJIDSGSA-N 401.463 1.269 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)n(C)c1 1536352592 MOMXOBNRINUKMZ-KRWDZBQOSA-N 400.504 1.824 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)ccc1F 1538753946 PFKRGEFKBMCFBZ-INIZCTEOSA-N 417.462 1.608 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(CS(C)(=O)=O)CC1 1539155448 VXMOQXMJQPUFIX-UHFFFAOYSA-N 403.464 1.748 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2(O)CCCC2)CC1 1539453416 KQMBYAKONPDARI-UHFFFAOYSA-N 409.534 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CC(=C)C 1540866039 AVWFAMPFGWDLNL-UHFFFAOYSA-N 407.482 1.625 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(c2cnn(C)c2)CC1 1540867777 HKOMPLGIQKGCKI-UHFFFAOYSA-N 408.510 1.703 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1540868551 JCRFJYSQUDTVLU-KRWDZBQOSA-N 424.509 1.294 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1540875973 CZAPLBKNDBHZOB-KXBFYZLASA-N 409.556 1.564 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1540907712 FZFAGKIEIFZZCG-UHFFFAOYSA-N 420.583 1.786 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1540907763 HUDDDVCGDHHNPN-AWEZNQCLSA-N 404.544 1.806 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1541604712 FHYWVPHLTDAWHL-SFHVURJKSA-N 409.494 1.798 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(O)CCCC1(C)C 1543317644 ANQXTHFOKIRKKH-VFNWGFHPSA-N 410.526 1.905 30 10 HDEE C#CCN(C(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1543462531 NRLWLFCIWAHAGU-CQSZACIVSA-N 410.492 1.875 30 10 HDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccnn1C 1548369237 OYKAROHMTORVLM-MRXNPFEDSA-N 420.395 1.388 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)cn1 1554329250 CZRBUNNPCNRADY-FQEVSTJZSA-N 414.489 1.913 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)CN3CCCC3)C2)C1 1556855390 ZXOSYNLZTMAVPH-GWWPLSDWSA-N 406.527 1.346 30 10 HDEE N#C[C@@]12CN(C(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)C[C@H]1CS(=O)(=O)C2 1558511754 YKRJLKZADRPYSO-SGTLLEGYSA-N 422.413 1.688 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1558775940 MQBLMQLOIMQSJG-SREVYHEPSA-N 412.490 1.337 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 1561718615 POWSZYXWITVVKG-LBPRGKRZSA-N 403.298 1.769 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C 1584136760 CDGGHIONBBURNO-CQSZACIVSA-N 404.939 1.501 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)cc1 1585693740 QFWQCFUIIZQJPX-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)[C@H](O)c3ccccn3)ccc2c1=O 1587169547 QDMTYAKIBGHZJC-DLBZAZTESA-N 412.471 1.091 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1587567840 KVVVHODQORWVSL-USNOLKROSA-N 404.511 1.726 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1587599906 SPMCFCIPMJFRTC-PDSXEYIOSA-N 400.479 1.960 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)NC)C1 1587848149 YANJLHIREHKTDW-OAHLLOKOSA-N 419.489 1.970 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588029014 BYPHNARVIJDNBM-KXBFYZLASA-N 410.540 1.008 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588224382 XQGKKEGJTRYVNX-RBUKOAKNSA-N 415.563 1.823 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1596891695 KHIDVVTZLCTXRW-MGPQQGTHSA-N 407.496 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@]3(C#N)CCCOC3)c3nccn32)C1 1597511418 XWABQVAMZRBRTQ-KUHUBIRLSA-N 401.467 1.710 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CC[C@@H](C(F)(F)F)O3)C2=O)cc1 1597562957 KTFADMXKHRUPAE-ZNMIVQPWSA-N 424.379 1.989 30 10 HDEE CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1611159731 PBEUMDGHSFFEPF-IAISJRAMSA-N 407.517 1.522 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CO1 1616345881 CQLOVYRNIHIWNX-OTSFIGDKSA-N 407.467 1.156 30 10 HDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1619575639 BPIRXKIAKIUQJO-PBHICJAKSA-N 403.508 1.723 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1)OC 1619596279 GURVBMWQTNLGDR-LJQANCHMSA-N 414.510 1.247 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1620314080 PTODFBXDYPUCOQ-GASCZTMLSA-N 418.523 1.370 30 10 HDEE C=CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@H](C)COC 1620413567 AYLBZIHNBOSBGK-JLTOFOAXSA-N 404.467 1.016 30 10 HDEE C=CCOc1c(Br)cc(CNCC(=O)N2CCN(C)CC2)cc1OC 1620751385 LABNAMXAHYCNSJ-UHFFFAOYSA-N 412.328 1.886 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@@H](C)OC[C@H]2C)cc1 1622886511 IULYJLAGRNODRM-HZPDHXFCSA-N 410.540 1.724 30 10 HDEE N#CCn1cc(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cn1 1625844902 BEEJJZGNIYACHM-UHFFFAOYSA-N 403.342 1.222 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)C1=O 1626598334 QTXIGCMRGLQPFR-OXJNMPFZSA-N 418.498 1.924 30 10 HDEE O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCN(O)C1=O 1628370367 PREYVGYWBQLJEK-VXGBXAGGSA-N 415.233 1.305 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1629566850 LABQHZATVOLCJU-CRAIPNDOSA-N 408.476 1.140 30 10 HDEE Cc1c(C(=O)Nc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cnn1CCC#N 1629787835 ZDTSDBMHZVUJJP-UHFFFAOYSA-N 408.462 1.695 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccccc2)cc(OC)c1OC 1631576524 NIULMEUJUSSCEW-OAHLLOKOSA-N 419.459 1.372 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(OCC(C)C)cc2)CC1 1632965848 DWZMQHNZLNBLGL-UHFFFAOYSA-N 421.563 1.611 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)Cc1ccccc1C(F)(F)F 1633523081 YARVYKKIIJNALJ-CYBMUJFWSA-N 408.442 1.756 30 10 HDEE C=CCOC[C@@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)OC 1634063840 RJGUIMYSMQCVPN-MRXNPFEDSA-N 403.431 1.903 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OCC)c1 1634288303 PJGGKDCKTPVNJF-NVXWUHKLSA-N 410.492 1.382 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 1635396665 FRUMLIUQHFMVST-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)n1 1638007027 AMQWTIIHXHDRJB-UHFFFAOYSA-N 424.549 1.626 30 10 HDEE C#C[C@H](CO)NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1641574563 OVJHNYAQFHHKGH-ZWKOTPCHSA-N 410.474 1.660 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1642352217 WKEAVJGWBXTSKO-FQEVSTJZSA-N 408.502 1.878 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1643240726 AAEZBYLATQMJNA-HOTGVXAUSA-N 409.527 1.726 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)c1 1643678402 RRXCYODBLPUQLD-HXUWFJFHSA-N 413.455 1.805 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)C[C@H]2CCCO2)C1 1644831088 MEQXRCDQKVQCAS-JKSUJKDBSA-N 408.296 1.803 30 10 HDEE N#C[C@]12CN(C(=O)c3ccoc3COc3ccc(C=O)cc3)C[C@H]1CS(=O)(=O)C2 1645990958 HLZPGXRNMIESNJ-MGPUTAFESA-N 414.439 1.681 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cn2c(=O)oc3ccccc32)c(=O)c1C#N 1648749764 BQLOLUUYFALSAB-UHFFFAOYSA-N 417.219 1.778 30 10 HDEE C[C@@H]1NC(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)=NN(c2ccccc2)C1=O 1652920274 XQWWZIAFMVYAHY-HNAYVOBHSA-N 403.442 1.797 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)CC1 1653801974 WIQFPLYBOIKBDX-UHFFFAOYSA-N 404.410 1.822 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CCOC3(CCS(=O)(=O)CC3)C2)cc1Cl 1656530076 NUFXKUKBOHBTCQ-UHFFFAOYSA-N 411.911 1.820 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1 1661380216 NPDREDKQLDPZMT-UHFFFAOYSA-N 402.447 1.719 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)C(=O)OCC 1664947501 ODHZVMCPTPMOFO-MRXNPFEDSA-N 402.900 1.718 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1682166984 JEGRYVAUQANXOB-KSZLIROESA-N 408.543 1.914 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 1682559846 HFBZKOZDOVRMAC-UHFFFAOYSA-N 412.534 1.928 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1683074086 KBCXLTXBTLQJLG-SJORKVTESA-N 406.527 1.898 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)CC1 1686850252 AAPSRUCVAJOLHF-UHFFFAOYSA-N 420.517 1.924 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)C1 1687593030 GSQFXNVISNBZSO-SJORKVTESA-N 404.515 1.092 30 10 HDEE N#Cc1csc(CNC(=O)N2CCn3ncc(I)c3C2)n1 1687729438 FBYQSFXVIJCULY-UHFFFAOYSA-N 414.232 1.541 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690077481 PNQZYQWCYSSIAV-HUUCEWRRSA-N 401.433 1.505 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)N(C)C2CC2)CC1 1690110284 FTCHSSBTUMWLSS-KRWDZBQOSA-N 415.586 1.434 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1690300671 HXJCBMVXVCGWQP-HRCADAONSA-N 415.560 1.485 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1690452008 VARSJUDQXPTVQM-LSDHHAIUSA-N 413.544 1.634 30 10 HDEE C=CCCCCn1c(C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1690453381 BMUMRYSCFNNRDL-UHFFFAOYSA-N 412.542 1.896 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690548956 UUGPENRUQIDNAP-KRWDZBQOSA-N 416.551 1.700 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1690997048 BXXVFAOLXSCYKB-AWEZNQCLSA-N 401.496 1.352 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1693830895 UHXBUUZCTGTECJ-HLAUDOPJSA-N 400.483 1.372 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1698117782 LJLPNHCXDMDNPQ-HRAATJIYSA-N 415.494 1.662 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705530038 RNYVHCJNZWAAAS-LJQANCHMSA-N 421.549 1.886 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1nc2cc(OC)ccc2n1C 1705579594 NRBHDVFIYHRACK-UHFFFAOYSA-N 414.473 1.695 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(O)CCC[C@@H]2C)n1 1705632213 YCXJWXWWHZTHNG-UWJYYQICSA-N 400.527 1.874 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705639882 YOSVXYUETSMIOC-VQTJNVASSA-N 402.587 1.904 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1705670263 NNMZFNVMLYWDSA-OAQYLSRUSA-N 424.530 1.844 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705693567 IBHFJLZWLVRWSH-MJGOQNOKSA-N 404.559 1.593 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C(N)=O)nc1 1705838567 UBUTVBDPXHOLKD-UHFFFAOYSA-N 416.449 1.085 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)C1 1705926248 ZZWLKFDHCCTNFI-YESZJQIVSA-N 410.540 1.531 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1706326270 BOZPSZFXAZWXIL-MRXNPFEDSA-N 418.523 1.429 30 10 HDEE CCCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1709710707 WROWETVKPRTJAO-MRXNPFEDSA-N 422.511 1.360 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1712699116 KLDAZAJIYBIWKK-UHFFFAOYSA-N 401.492 1.478 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccc3)n1CCOCCCO)C2 1712879324 WCAWQFKNBXOVHQ-UHFFFAOYSA-N 420.473 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1722297266 YSESEVYSOQFLEC-ZIAGYGMSSA-N 421.548 1.130 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1722311304 DZQFHFXMRSJBNU-UHFFFAOYSA-N 410.507 1.293 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCc1ccccc1 1722333881 ZROKEHRDDOKKJT-IBGZPJMESA-N 416.547 1.635 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722389625 KXBJHDXJOCTQGT-MHORFTMASA-N 421.567 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1722397966 PWDNFLVJAYTXMI-INIZCTEOSA-N 424.471 1.966 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1CC 1722426161 AYJAZMJIBOVPJW-UHFFFAOYSA-N 415.448 1.893 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1722536742 QRJMYWPXRYCALQ-OAHLLOKOSA-N 403.458 1.901 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722602829 CESCZEVHVBJXCN-HOTGVXAUSA-N 422.555 1.093 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722626911 HOAKMUVATFFFLL-OAHLLOKOSA-N 400.487 1.280 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)c1nccs1 1722692430 LTZTZEKZFKOBQF-ZDUSSCGKSA-N 405.528 1.415 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCC2)n1 1724504064 GFPBHFKSGAKPPN-QGZVFWFLSA-N 409.494 1.780 30 10 HDEE Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1725008104 IMIWCAPXPIGVSH-ZDUSSCGKSA-N 406.512 1.886 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1729339610 MLWVHWSBLCMKLL-KRWDZBQOSA-N 404.902 1.905 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCO1 1729678012 AVQVSNWNOWVGLM-SFHVURJKSA-N 424.505 1.463 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1730875763 MGZXCSYQYJYRJC-ZWKOTPCHSA-N 420.558 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1740555709 ARMMXZOMMWTTHW-OAHLLOKOSA-N 417.897 1.827 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740592668 DTPNUUWKORXXJP-HXUWFJFHSA-N 421.549 1.420 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(C)(=O)=O 1740603099 GOSOLQRFWLAMMU-UHFFFAOYSA-N 403.327 1.883 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCCC)c1 1740612739 HELHIEBJJOPPTR-UHFFFAOYSA-N 408.506 1.658 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1740661723 IMTBWUPWGICIQV-HNNXBMFYSA-N 410.482 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nncn1C 1740688017 KOGXENYGTAMSMC-UHFFFAOYSA-N 415.885 1.773 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1740731122 PDUWXTWWQKRMGZ-BBXQPJIDSA-N 424.592 1.474 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1740889954 OAGGJBHFBYZEPL-UHFFFAOYSA-N 410.482 1.900 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1740946234 CCONFEGAJXUBHW-QGZVFWFLSA-N 409.494 1.176 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740957587 SZWMBYMUPLTRHC-INIZCTEOSA-N 424.509 1.736 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](C2CCOCC2)C1 1740961544 DWOFXJFYZASLJS-IBGZPJMESA-N 410.522 1.819 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccon1 1740963597 PTKJVTZAARYCGR-UHFFFAOYSA-N 415.479 1.196 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1740991382 VPNLQDKNBMXASI-MRXNPFEDSA-N 411.572 1.303 30 10 HDEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1741539598 HXJGJZBYCGHYAS-IBGZPJMESA-N 403.508 1.459 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1748829689 HESWTAYBHKYFHA-LBVMUVSTSA-N 412.534 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(N)=O)cc1 1748875664 SQQACNSGJUIVKJ-UHFFFAOYSA-N 420.517 1.807 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1748906166 QCHMDQRFWIBFAD-OAHLLOKOSA-N 416.507 1.210 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1748990522 HYQXORKWCZWMSW-PGRDOPGGSA-N 401.555 1.869 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1749506817 ORJXTINSVHBFCP-OKILXGFUSA-N 402.503 1.848 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1749560133 GRKBDFOEFUBPQF-AWEZNQCLSA-N 407.544 1.465 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2([S@@](C)=O)CC2)C1 1749715491 SQEMAJOQKUNDIM-JYRCXFKTSA-N 401.536 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCC 1749734476 JGYIZVHVYHKLJW-CQSZACIVSA-N 404.558 1.017 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1749971464 LCKPQRTXPGLGRM-GJJHYRHESA-N 407.515 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1760103743 LFWHXYJEEZTKOM-AWEZNQCLSA-N 418.479 1.347 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cccn2)C1 1760141474 WCILAJKESGPEBO-SFHVURJKSA-N 411.510 1.306 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1760154190 BFQPGOWPVUUVMK-KOHRHEQBSA-N 407.540 1.546 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760181198 QXSNMHLGHZWPJJ-OXQOHEQNSA-N 422.551 1.357 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760185715 BRTBRSKSQIFEJG-QZTJIDSGSA-N 421.611 1.978 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760186336 MIKJCFLCDBYWRW-IAGOWNOFSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)CC=C 1760206807 NGJDDXHBNGUKCH-UHFFFAOYSA-N 421.526 1.955 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](C)N2CCCCC2)CC1 1760260123 WCAHQLDNPOIJEB-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)C2CC2)CC1 1760264140 CRJLYWQQTRNTLS-QFIPXVFZSA-N 413.497 1.912 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1760404728 KLMMDTRAXQIPJD-QGZVFWFLSA-N 421.567 1.770 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760520930 DSUHSHQCUHKZFA-UHFFFAOYSA-N 402.528 1.198 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 1760525161 WQVSEJNRAUGROL-HNNXBMFYSA-N 406.531 1.978 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](Oc2ncccc2F)C1 1760527964 OHQCGVWPKFQKFF-OAHLLOKOSA-N 418.473 1.699 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCC2)C1 1760541368 AWFMMVSHMOVBHQ-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1760560387 ULYRDUSRZLWJTB-GJZGRUSLSA-N 416.617 1.338 30 10 HDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)c1ccco1 1761509059 FFTUODABPBDPQA-FQEVSTJZSA-N 411.487 1.886 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCN(C)C1 1767983867 IMLOCTMLYJMVRL-XQBPLPMBSA-N 410.522 1.625 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1769275200 GPFILZDRSBSKHX-CVEARBPZSA-N 407.471 1.425 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)c1nccs1 1770052738 UQCRNXYKIVCLQP-RBSFLKMASA-N 406.512 1.991 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C1CC1 1772843468 GRRKUNQISLZYEM-UHFFFAOYSA-N 422.537 1.596 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)CC1 1848521334 ZZGKTXMKKRDVSS-HXUWFJFHSA-N 403.504 1.930 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@@H]1CCN(C)C1=O 1849168264 YALVIPLRYWSCTN-IEBWSBKVSA-N 419.547 1.641 30 10 HDEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C)no2)cn1)[C@@H]1CCN(C)C1=O 1850379231 AIOOUQLSMRLOKV-MRXNPFEDSA-N 407.434 1.485 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccccc2C#N)CC1 1851284529 HQERNQMWAPZINZ-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE C=CCN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ncccn1 1851319438 HYVAFLDZXOAZCA-OAHLLOKOSA-N 408.867 1.876 30 10 HDEE N#Cc1ccccc1N1CCC(C(=O)NCCn2nnc3ccc(F)cc3c2=O)CC1 1852701704 ZSNTVQKAIMKBRG-UHFFFAOYSA-N 420.448 1.835 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3COCCO3)C2)CC1 1853814929 JRSCOKQAJVEAER-QUCCMNQESA-N 411.502 1.724 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(OC)cc(OC)c2)C1=O 1854168146 LBMOOPZVYHMBKR-QZTJIDSGSA-N 401.463 1.164 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ncccn4)C(=O)C3)C2)c(F)c1 1854181001 YMIZFWOWWJPVTK-KRWDZBQOSA-N 408.437 1.046 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1854599864 UTZRAQQFJXCJAQ-KRWDZBQOSA-N 409.483 1.226 30 10 HDEE Cc1ccc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)c2c1 1854815297 UJTNQRDHQSPYDD-CQSZACIVSA-N 400.460 1.378 30 10 HDEE C[C@@H]1CCN(C)c2c(C(=O)N3CCN([C@@H]4CCN(CCC#N)C4)CC3=O)cccc21 1855008008 TULSUTMYLKFVQH-QZTJIDSGSA-N 409.534 1.902 30 10 HDEE COc1ccc2c(c1)CC[C@H](C(=O)N1CCN([C@H]3CCN(CCC#N)C3)CC1=O)C2 1855029435 SUMRRUJZUFDZHR-PMACEKPBSA-N 410.518 1.459 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cncc1-n1cccc1 1855073047 SQCPNNPWQUUUGD-GOSISDBHSA-N 406.490 1.453 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CC(=O)N(C)C1 1855156113 JARCISUPGJZPNN-DZGCQCFKSA-N 402.882 1.557 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1 1855682583 MTLBSAWKRHAVQM-ZFWWWQNUSA-N 406.870 1.737 30 10 HDEE CCS(=O)(=O)C1CN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1856145204 VFYCFQFWDFVDJM-GOSISDBHSA-N 403.504 1.127 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cncc(Br)c3)C(=O)C2)C1 1856832489 QISRCJGMOHTLJA-MRXNPFEDSA-N 407.312 1.779 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857099101 RDFPRMQKBLMOSP-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE CC(=O)CCC(=O)N1C[C@@H](CN2CCC(COc3cccc(C#N)n3)CC2)CC1=O 1857110293 KWWLOVSGJWKYBX-GOSISDBHSA-N 412.490 1.788 30 10 HDEE Cc1cnn(C)c1C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O 1857251398 GOIRHYQKVOPUDA-INIZCTEOSA-N 406.490 1.864 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)C3CC(F)(F)C3)C2)CC1 1857412703 QOROCQRMAMIISR-OAHLLOKOSA-N 417.460 1.886 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 1885923285 JVOBSSRRKYTFJD-KBPBESRZSA-N 401.504 1.848 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1890523013 GBUCHXNBVAYYRL-WBVHZDCISA-N 420.425 1.715 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1cccc(Br)c1 1890779241 SAFRWOYIAXHKLM-UHFFFAOYSA-N 408.281 1.620 30 10 HDEE COc1cc(CC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc(OC)c1OC 1891460940 YYDWIUJBANJXPQ-OAHLLOKOSA-N 412.446 1.987 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2118170693 RZIFXMZJWZAQJM-OCDDVZBJSA-N 406.530 1.089 30 10 HDEE N#CCc1ccc(S(=O)(=O)Nc2ncc(I)cn2)cc1 2189862083 ZJTDTTUBAOAVKZ-UHFFFAOYSA-N 400.201 1.948 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)(CCO1)C2 2195311717 ZYRRFLRKNRVXBG-NVWNAPEYSA-N 402.513 1.728 30 10 HDEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)C1CSC1 2197739495 MEGOMNHFYJGZAJ-CQSZACIVSA-N 416.565 1.376 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2241806886 YCHPXPYWGWHUGB-BFUOFWGJSA-N 401.504 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@@H]2C[C@@H]21 2247811781 CCFPUUSBUDZUMU-KGLIPLIRSA-N 418.303 1.543 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NCc2ccn(Cc3ccccc3)n2)OC1(C)C 2255878874 GSJRXJFNUFXYBQ-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE C=CCCC1(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 2281015154 SJFWRYNPSRZYFU-CQSZACIVSA-N 401.529 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC1CN(C)C1 2282322658 PDXCEQGGXSPKIC-UHFFFAOYSA-N 400.375 1.538 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCNCC3)c2)OC1(C)C 2282338099 OUGDTZMBBOLBRI-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC[C@H]1CC(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282407880 DOVCQLXZMWHPPP-NSHDSACASA-N 400.331 1.531 30 10 HDEE CN(C1(CN)CCC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282492704 QAOFKFXENDMCIL-UHFFFAOYSA-N 401.363 1.085 30 10 HDEE COCCC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499624 QVLPMHRZMPYLEZ-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@](C)(N)C2)OC1(C)C 2282505221 ALJGZIISSCXURF-MRXNPFEDSA-N 401.363 1.085 30 10 HDEE CN1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H]1CO 2282642856 SPQUSPWFVYIUAV-LLVKDONJSA-N 400.737 1.449 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282834972 ZHCHTGKDMZRDTI-UHFFFAOYSA-N 401.721 1.808 30 10 HDEE C[C@H]1CCN[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845107 NDTIOCNLGRHNAO-GXTWGEPZSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CCC(CN)CC2)OC1(C)C 2282851792 HELHRIVWVMBCMH-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCCC(=O)O 2284396953 ZUBINGWGZNYKQL-UHFFFAOYSA-N 403.331 1.841 30 10 HDEE CC#CCN(CC(=O)NCc1nnc(Br)n1C)C(=O)OC(C)(C)C 2300612050 DYYIDQLUNGRDIJ-UHFFFAOYSA-N 400.277 1.454 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@@]2(O)CC[C@H]2NC(=O)OCc2ccccc2)CCC1 2319414593 DKRABOUALMYMJW-OXQOHEQNSA-N 405.472 1.346 30 10 HDEE COc1cccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329056287 ZQCQHGFQUPVZLJ-HNNXBMFYSA-N 403.508 1.978 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365202855 GNUDHLCCWDUEEE-CLCXKQKWSA-N 402.557 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367807939 YDTHZDKPMIABRP-DNVCBOLYSA-N 400.541 1.437 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367808334 BWHKAMDPXLSNMH-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE Cc1scc(C(=O)N(C)CCCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369501055 YEIISWQGOMCDHO-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 6028497 TXSGQMUTHAALRT-UHFFFAOYSA-N 407.835 1.915 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)OC(C)(C)C)n2N)cc1 20913727 DPIVQDAWISVFQB-DJKKODMXSA-N 406.468 1.658 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CCOCCOc3ccccc3)CC2)cc1 52077382 ZDQTVAHNOQEUPV-UHFFFAOYSA-N 415.515 1.960 30 10 HDEE C=CCOc1ccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCC(C)C)cc1 66227222 CJLQTTWRQWFHOI-GOSISDBHSA-N 403.479 1.580 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCNC(C)=O)C2=O)cc1 96567204 HMVDZLRCEOUWIN-NRFANRHFSA-N 416.478 1.051 30 10 HDEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccccn2)cc1 102584964 SCZNUAJCCFDMJO-LAFOYAEKSA-N 412.442 1.911 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C(=O)C12CCCCC2 105721656 NJKKWGBTILNOQI-UHFFFAOYSA-N 410.478 1.199 30 10 HDEE C#CCN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 111046671 HZLKDDJFWTYFAW-ZDUSSCGKSA-N 412.512 1.452 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)C1 219953587 ZUOOGRFZCUQPQC-LSDHHAIUSA-N 401.467 1.975 30 10 HDEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)C(=O)C2 238857187 KBNMTAOGKUIAFR-BXTJHSDWSA-N 418.519 1.917 30 10 HDEE Cc1ccccc1N1C(=O)C(=NNc2ccc(S(=O)(=O)O)cc2)C(=O)NC1=S 254353275 WKHMNSNUCATYOO-UHFFFAOYSA-N 418.456 1.458 30 10 HDEE COc1ccc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OCC(N)=O 254617916 DGCVKDUUJPSCSM-UHFFFAOYSA-N 422.419 1.088 30 10 HDEE C[C@H](C(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1)n1cnc(C#N)n1 410016832 WALZTMCZCPKQKR-LLVKDONJSA-N 415.255 1.713 30 10 HDEE COC(=O)CC1(NCC(=O)N(CCC#N)c2ccccc2)CCS(=O)(=O)CC1 439272061 YRJOUNYTTFHTSS-UHFFFAOYSA-N 407.492 1.033 30 10 HDEE CCO[C@H]1C[C@@](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(C(=O)OC)C1(C)C 444555421 SCLUWAQYEFMTGK-OXJNMPFZSA-N 422.503 1.336 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)CC1 475771181 LAOIWGIUXRPECV-KRWDZBQOSA-N 410.584 1.855 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481233810 NGEBIXCIOJZBKK-OAHLLOKOSA-N 420.535 1.332 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1C#N 489063105 WMGPJWORGQTUBM-HZPDHXFCSA-N 419.551 1.073 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1C#N 489245806 AVPYDBBDGMFNIN-UHFFFAOYSA-N 401.492 1.032 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508734915 UFBQVUPAPXRXSX-MRXNPFEDSA-N 411.514 1.900 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 508910660 DOVJQVTYVBESSP-KRWDZBQOSA-N 423.514 1.881 30 10 HDEE C[C@@]1(c2ccccc2F)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 514627451 JVMLFSWQABMXFL-SFHVURJKSA-N 402.407 1.333 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccccc1 525266080 LIJKBVABSBPUBP-UHFFFAOYSA-N 405.479 1.665 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1 533177962 OSFLCWCXJCWXTB-UHFFFAOYSA-N 419.528 1.962 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 534494696 SMCYZDTVXNEOSY-LSDHHAIUSA-N 424.486 1.683 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1 541964819 HNLXFWRPUPZCRC-IBGZPJMESA-N 420.535 1.973 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3-n3cncn3)CC2)n1 544879655 CPOLUWMLOBIKDT-UHFFFAOYSA-N 422.880 1.948 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(Cc4ccccc4)CC3)CC2)n1 544881973 OXRDPJKVAODZPS-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 555268110 GESJVDHCUYQBQT-ZWKOTPCHSA-N 402.543 1.637 30 10 HDEE CC(=O)N[C@H](CC(=O)N1CCN(C(=O)CC#N)CC1)c1ccc(Br)cc1 558350484 FWJATTUAIORLAU-MRXNPFEDSA-N 421.295 1.601 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2=O)cc1 561727343 VSNYSXHHGZWCEF-HNNXBMFYSA-N 423.395 1.075 30 10 HDEE CCCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc21 586308766 OYMCKQHMKUYMHS-ONSXPEOJSA-N 419.503 1.514 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2C[C@H](O)CC(F)(F)C2)cc1N1C[C@H](O)CC(F)(F)C1 588029127 MWYLIKSVEIMWKR-VXGBXAGGSA-N 418.347 1.879 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(CC)cc1 727416514 UCCDIJAMPCVJOQ-UHFFFAOYSA-N 405.479 1.860 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2F)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 729334853 WUQBOKZONMGZKY-AWEZNQCLSA-N 401.463 1.763 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732699530 AWHMTNOJZSIJHW-FQEVSTJZSA-N 410.522 1.237 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 733649901 FLZGEBYXAXLCKH-HYEKCJMVSA-N 421.498 1.602 30 10 HDEE C=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OCC 734030243 WFCDMIUGBKGWFU-AWEZNQCLSA-N 423.443 1.286 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 734293274 PYCYRUSVMVCZKB-AWEZNQCLSA-N 413.455 1.876 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C 745541532 PGODWRPMZKJDNR-UHFFFAOYSA-N 400.439 1.571 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 750625350 YOZXWGSYNYOEMS-OHOVLYHNSA-N 416.381 1.962 30 10 HDEE CCOC(=O)[C@@H](CC1CC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 752382678 MCBGDSTUGHKRAI-DLBZAZTESA-N 412.446 1.611 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291369 HYJHLYJMCGJERK-RTBURBONSA-N 408.458 1.701 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)c1ccc(S(C)(=O)=O)cc1 753407695 HMQPJNYNHSXJPO-CYBMUJFWSA-N 406.485 1.879 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cn(Cc3cccc(F)c3)nn2)CCCCC1 760399956 DOUDVFSYBDEGSS-UHFFFAOYSA-N 405.455 1.999 30 10 HDEE Cc1nc2ncnn2c(C)c1CCC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760409722 PLZXAXQZVFHEGW-UHFFFAOYSA-N 404.496 1.594 30 10 HDEE COc1ccc(Cn2nccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 761959401 HEHCKXMSGGLLPF-QGZVFWFLSA-N 408.462 1.077 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@]2(CCO)CCOC2)cc1 762214574 QDWCJVHBWSVSRZ-WDUNQMNWSA-N 424.523 1.410 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 762532737 YZILLMAORXNGCX-KRWDZBQOSA-N 420.510 1.857 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)c1cnn2cc(Br)cnc12 769896249 VMWLVRKPUMRAQE-UHFFFAOYSA-N 405.212 1.305 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771444570 FNGSVJLAQZKJFS-RNODOKPDSA-N 403.435 1.005 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1 777312880 GVMQULGBHHIDCA-UHFFFAOYSA-N 423.491 1.530 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)[C@H](O)c1ccc(C#N)cc1 780862657 OCVAAJOQGHTBQQ-LJQANCHMSA-N 401.488 1.736 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OC[C@H]1CCCN(S(C)(=O)=O)C1 786483475 AHDRMINELMBBQQ-HNNXBMFYSA-N 419.507 1.365 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)n1 788854718 OLCYGILGZCLIOM-QZTJIDSGSA-N 405.543 1.562 30 10 HDEE CN(CCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 799848062 BGVFSLHMIZELOR-HEHNFIMWSA-N 424.523 1.059 30 10 HDEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCNc2ncccc2C#N)C1=O 804144843 QZYVYADNLDKGNW-IBGZPJMESA-N 413.459 1.236 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccccc2)c(F)c1 804157991 JMUYLXGXSMLDBM-UYAOXDASSA-N 411.433 1.665 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCc3cc(Br)cnc32)C1=O 809293758 RLLMJNIVEGRJIF-LLVKDONJSA-N 408.208 1.351 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 810019012 WHUNFOOTVMYDRN-KRWDZBQOSA-N 403.458 1.807 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 813779416 GPXKSMBTIKUCPF-JKSUJKDBSA-N 415.556 1.902 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)c1 814351361 WPQVROMTRRCKFS-NSHDSACASA-N 423.292 1.642 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)n1 856587752 RHDMWIMOLMSQCE-KRWDZBQOSA-N 410.883 1.915 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1136752146 GTRYYKUGAOQLIJ-HNNXBMFYSA-N 408.329 1.058 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(c3ncns3)CC2)CCCN1C(=O)OC(C)(C)C 1141244349 KISRQIUIQAIGAE-IBGZPJMESA-N 405.524 1.980 30 10 HDEE C=CCNc1ncc(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)s1 1141656165 YCZLZJGMUXCTKO-UHFFFAOYSA-N 423.539 1.988 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N(CC#N)CCC(=O)OC 1152127868 BPRSBHHIOFRLDG-OAQYLSRUSA-N 412.446 1.291 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c1 1159182272 LSHQJCXNQIZYLZ-OAHLLOKOSA-N 420.512 1.452 30 10 HDEE COC(=O)C[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1160599141 FVSZFLJITPIXCV-FMPZLKCCSA-N 421.494 1.564 30 10 HDEE CNCCCc1[nH]nc(NC(=O)Cc2ccccc2S(=O)(=O)C(F)F)c1C#N 1182252794 IFQBAXIHHPWANX-UHFFFAOYSA-N 411.434 1.611 30 10 HDEE CN1CCn2nc(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)cc2S1(=O)=O 1184247333 YQHRIQBPGQDVRB-UHFFFAOYSA-N 405.263 1.856 30 10 HDEE C#Cc1cccc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)c1 1217241230 YNAPWKQWOGOLRA-UHFFFAOYSA-N 417.487 1.923 30 10 HDEE C[C@H]1[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN1Cc1ccccc1 1251671260 DTICRAXAFJYUGH-KSSFIOAISA-N 408.462 1.050 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)n1 1251792449 PVTWPZJANCHTKG-SFHVURJKSA-N 420.510 1.090 30 10 HDEE Cn1cc(C#N)c(NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)n1 1265616515 HKLYDHXEGBEBOQ-UHFFFAOYSA-N 401.217 1.849 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C(F)(F)F)no2)cc1 1268879844 SUGUSSZFGOSMLI-UHFFFAOYSA-N 403.342 1.210 30 10 HDEE C=CC[C@@]1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCCN1C(=O)OC(C)(C)C 1275712396 LEBXXBORYFPTSV-FQEVSTJZSA-N 420.514 1.619 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1277406448 ONRXLRWTPBMRFZ-XJIUQZFPSA-N 411.462 1.229 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1286273505 HWGKQRDSTYFBFW-LLVKDONJSA-N 404.276 1.570 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CCCOC)c1 1286311925 OEOJKLGVUFWRNW-UHFFFAOYSA-N 424.505 1.493 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC[C@@H](C)C1 1286464650 DASUUVWABKBXCC-SQNIBIBYSA-N 402.543 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2([S@](C)=O)CC2)CC1 1286495075 XIFMKTABBYGWTF-NDEPHWFRSA-N 405.568 1.354 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1286509497 RMGYNHNKFLLMAC-CYBMUJFWSA-N 411.578 1.640 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC)C1 1286562816 TWKYKWUZTMPVSK-NXHRZFHOSA-N 402.499 1.511 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1286619414 AHQDCNVBRBQHPQ-ZFWWWQNUSA-N 417.963 1.894 30 10 HDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1286686383 FJWYYVBYEZOVLH-UHFFFAOYSA-N 407.478 1.485 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286700299 LLZAHKATZGGWJB-KFWWJZLASA-N 409.512 1.081 30 10 HDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286713100 UNKRAEUVGJUTQZ-INIZCTEOSA-N 402.524 1.737 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCOC1 1286961100 RNUMHVUGLVBMFO-IAGOWNOFSA-N 404.515 1.553 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CN3CCCCC(=O)C3=O)c(C#N)c2N)cc1 1294274547 XKPLCNAJZVXHRT-UHFFFAOYSA-N 422.489 1.265 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F 1299371941 GGCFVONTRVMTDG-BRWVUGGUSA-N 421.494 1.423 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C1 1299778129 AZMBGLWPWSIJTC-UHFFFAOYSA-N 406.450 1.195 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@@H]2C1 1300381347 CJEOMGNFNIHFOR-FHWLQOOXSA-N 403.527 1.326 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1300409813 JZZISMCUHPGSQZ-FUHWJXTLSA-N 416.551 1.396 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1300635802 WQBMSWYYMSHRBT-UHFFFAOYSA-N 400.527 1.653 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301001787 NIQLIVKSIIEIRN-DFEOGRTESA-N 419.526 1.310 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)CCOC)CC1 1301107990 KZVGYLKPZQXZHU-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1301259039 FHVUUCLILZJUMO-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1301435608 GRFHLVLVBVGIHS-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)COCCO2)C1 1301536219 SFAYPSDKRQIBHW-UTKZUKDTSA-N 421.542 1.783 30 10 HDEE CC(C)Cc1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1302831882 APMYQLIEODFYCX-OAHLLOKOSA-N 414.601 1.594 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1O 1302843101 YWRIHOGSBAJTAH-QRFQSNJMSA-N 424.505 1.414 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@@H]2CCCO2)CCO1 1303005328 YNFLWTFWOJUSKQ-OKZBNKHCSA-N 405.499 1.487 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)cc1 1303314876 REFLUDZXJCQORJ-INIZCTEOSA-N 416.459 1.072 30 10 HDEE CO[C@]12CCC[C@@]1(NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1303445831 JFPRHHITRVYIGY-ZNOIYHFQSA-N 407.492 1.306 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[C@H]2CCCS2(=O)=O)C1 1312469788 QXTRJHJWENUVJQ-BFHYXJOUSA-N 400.501 1.012 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CC2(C(N)=O)CCOCC2)c1 1316530138 FXRVFNILACULBF-UHFFFAOYSA-N 410.478 1.326 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCS(=O)(=O)Cc1ccccc1 1318851803 DSOWTOZSWAIGDE-HNENSFHCSA-N 405.476 1.024 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1328684218 DNGYKRMUJDDJRK-JTQLQIEISA-N 415.411 1.766 30 10 HDEE N#CCOc1cccc(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)c1 1350553177 MOXPNLOIIHSSSS-UHFFFAOYSA-N 424.276 1.929 30 10 HDEE N#C[C@@]1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCSC1 1355868389 PQUZEZGGOFELHU-UZLBHIALSA-N 402.520 1.275 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358887454 XQLRCOOPIVCBRS-BQFCYCMXSA-N 423.521 1.356 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1358937614 BJTWJBDPRAJAAJ-KGLIPLIRSA-N 410.569 1.322 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CCOc1ccc(S(C)(=O)=O)cc1 1358945463 HUYPIMWNCYXFNF-UHFFFAOYSA-N 413.503 1.836 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1358970840 YXBQPCLDKWXHGL-JTSKRJEESA-N 411.481 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(S(C)(=O)=O)cc1 1358975522 UTTGQQRGAJOMGA-UHFFFAOYSA-N 407.499 1.808 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1359039232 AILMGWXDTMXDRT-GHTZIAJQSA-N 403.527 1.298 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@H]2CF)CC1 1359040518 YFRHBFHMTKNPBB-JKSUJKDBSA-N 402.474 1.010 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2conc2COC)CC1 1359181007 BBSQFERZBQJZPL-UHFFFAOYSA-N 400.483 1.986 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1359241410 PRPQRCSOQGPBPP-MRXNPFEDSA-N 417.514 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@H](C)C1 1359294204 NRIISGGOZGPMCL-TXEJJXNPSA-N 423.315 1.952 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccc(F)cc1 1359298580 FAOYGPBQWLZGGG-MRXNPFEDSA-N 416.457 1.186 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359298860 NXKZRPCBAXLUPN-UHFFFAOYSA-N 401.515 1.186 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1359322394 VBHPOEGGMFVUDB-MOPGFXCFSA-N 411.506 1.971 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1360553887 DWJFGEWZIWAZHB-WBVHZDCISA-N 401.515 1.080 30 10 HDEE Cc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C 1439126606 DTTBUVJEGMKZID-UHFFFAOYSA-N 415.519 1.360 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1448230891 VIGGYFRQJAIFLG-CABCVRRESA-N 403.545 1.763 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1454997647 BMBUOTKETNYYQV-UHFFFAOYSA-N 403.435 1.511 30 10 HDEE C#CCCN1CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1459900825 OFGFDANZUXRMIV-UHFFFAOYSA-N 418.563 1.441 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)CC1 1460120164 BACVXACOPUKFHR-LJQANCHMSA-N 417.941 1.651 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(N2CCCS2(=O)=O)CC1 1460868269 GCILEYGZQJYUSO-UHFFFAOYSA-N 421.519 1.752 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 1462270578 GWUUSJCYBNUBCQ-LAUBAEHRSA-N 417.462 1.718 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(I)cc1OC 1462272803 PKDTVSFCBPWPCC-UHFFFAOYSA-N 402.188 1.829 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)s1 1466483803 UHTGBNFPWZSQND-SUMWQHHRSA-N 400.522 1.209 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)C(=O)N1CCOCC1 1470614013 KDUQPTQWMXRKBV-SFHVURJKSA-N 414.510 1.058 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H](CCc2ccccc2)c2ccccn2)c(=O)nc1O 1471083185 MYSKWYZNDQMCBD-IBGZPJMESA-N 418.457 1.889 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1C1CCCC1 1471825918 LZIDKFVDWYMNRE-JKSUJKDBSA-N 404.536 1.700 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C(C)C)cc1 1472328764 RHLWPGXCCAPFJT-ICSRJNTNSA-N 403.548 1.933 30 10 HDEE C#CCN1CCN(C(=O)CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@H]2C)CC1 1473574547 RYAMIZWFKZJKCH-LJQANCHMSA-N 418.582 1.875 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1475545502 YRLJFUASTBWGEP-RBUKOAKNSA-N 424.519 1.372 30 10 HDEE CNC(=O)[C@@H](CNC(=O)NCC#C[C@@H]1CCCCO1)Cc1ccc(OC)c(F)c1 1478874940 HADCXXQHYDKBFX-SJORKVTESA-N 405.470 1.611 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOC2=O)cc1 1503116395 CFETYJASHJZCRG-QGZVFWFLSA-N 412.450 1.548 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1507533423 KZNAKCHATZONTK-VQIMIIECSA-N 406.534 1.786 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)C)c1 1507550620 NJGLNKMCVYUWMX-AEFFLSMTSA-N 410.522 1.788 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507562832 OHSTZFWHTURFMZ-OAQYLSRUSA-N 419.493 1.426 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507580756 GIWRYMMXFRQNSA-UHFFFAOYSA-N 415.457 1.881 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630207 USNQSFVUCVFWPQ-IEBWSBKVSA-N 414.531 1.998 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1507643824 ZLGXAGJVZMLWKS-MRXNPFEDSA-N 420.477 1.461 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC 1507654977 WSDKFNVJHGOPLU-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1507673209 PEJAPHNLUDBZNL-SFHVURJKSA-N 419.485 1.703 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1507694583 OBJMSYBEDALNJN-UHFFFAOYSA-N 413.570 1.835 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C(C)=O)CC1)C1CC1 1507987567 GKNKSMGNUDSFSL-CQSZACIVSA-N 424.571 1.302 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC3(CC2)OC(=O)NC32CCC2)nnc1C(C)(C)C 1508099437 XJACQEUCGWTZDA-UHFFFAOYSA-N 416.526 1.879 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(OC)CCOC2)C1 1508126209 GUMGHHREEABEEU-NYUBLWNDSA-N 422.526 1.589 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(N)=O)C1 1508159873 ZXNGGOJQARNFJE-HNNXBMFYSA-N 415.519 1.947 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1508211559 CLOBYNAQHMWACW-PVAVHDDUSA-N 422.555 1.035 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(O)cc1 1510147204 AJMGDMYYKRMXGX-KGLIPLIRSA-N 406.512 1.575 30 10 HDEE CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)OC 1513280878 IEAINHVCEJFLDX-ULQDDVLXSA-N 407.515 1.936 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC=CCO1 1516591599 CLTKYBDMGVEYMV-SJORKVTESA-N 424.509 1.536 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1516732801 KHCJDHHBHICMNR-SFHVURJKSA-N 409.494 1.894 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1528147961 RAXNMCQKQGGBKG-QGZVFWFLSA-N 416.524 1.969 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1533501179 QIWUJIVYXYPQQW-HNNXBMFYSA-N 405.248 1.590 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1539260823 VKAJQAZSMRUARR-FQEVSTJZSA-N 418.501 1.187 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539311768 ZWVILFYDAIKFNA-QGZVFWFLSA-N 412.519 1.085 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1539362396 ZVXRHLDPJMKSTB-UHFFFAOYSA-N 410.478 1.051 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1539952956 MQCQJINESGMFFZ-CQSZACIVSA-N 410.544 1.056 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540019739 CXJJNXMDLDCRIL-INIZCTEOSA-N 401.515 1.971 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540859372 XJEWCLRTDYDCAQ-SFHVURJKSA-N 409.538 1.583 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C1CCC2(CC1)OCCO2 1540868300 ZOWQUIWFFMAUFN-UHFFFAOYSA-N 412.494 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)OC 1540897209 DCBNHVMSVIAISV-UHFFFAOYSA-N 407.496 1.746 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540904757 OJBGDNFUSWUODO-MRXNPFEDSA-N 419.555 1.337 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1541088412 HKAZEGFLDPSNAE-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1541112071 DVSIMCNAAOEXTO-APWZRJJASA-N 421.549 1.924 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1541619895 NQAFNHBCHQQISP-XLIONFOSSA-N 420.533 1.849 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccccc2Sc2ccccc2C#N)C1 1543557401 GSWDMKZOPNEGQF-UHFFFAOYSA-N 416.528 1.930 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1)N(C)C 1544713972 LTXIUDGMYLPGEK-LQWHRVPQSA-N 423.565 1.924 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1545095961 FMOOBTJEFNPCEZ-IHSNIMORSA-N 419.505 1.170 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1545718327 CQJCSOMABKXTDN-QGZVFWFLSA-N 418.494 1.734 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCC(=O)N1 1555557087 RHIJGAAQAMZBIU-OAHLLOKOSA-N 412.450 1.319 30 10 HDEE COCCn1cc(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cn1 1555568877 GQNQDOQLDLVHPT-INIZCTEOSA-N 411.441 1.704 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)C1 1555986652 POGCCFFKAJWBDP-SFHVURJKSA-N 406.487 1.874 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)COc2ccc(C#N)c(Br)c2)nc1=N 1556316306 WGHLISYFRXXNAU-CYBMUJFWSA-N 405.256 1.604 30 10 HDEE C=CCC[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1558672286 OAZANYBJODPJNU-AWEZNQCLSA-N 400.522 1.326 30 10 HDEE C=CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1558738823 XGMIGROPGOCZRP-UHFFFAOYSA-N 411.499 1.520 30 10 HDEE COC(=O)[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCO2 1559822850 RXXTZQNOAPEIJD-HXUWFJFHSA-N 404.422 1.725 30 10 HDEE C#C[C@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(Br)cc1 1564998837 CWXGHWAKVPIMCL-HNNXBMFYSA-N 414.325 1.834 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1c[nH]nc1C 1570611305 DJDGUHQMRVYZRY-MRXNPFEDSA-N 403.508 1.974 30 10 HDEE COC(=O)c1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1586019925 LMNMYWJAQNBYAZ-UHFFFAOYSA-N 416.459 1.003 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccsc3)nc2C)CC1 1588199217 JJXZIYPTAKUZQP-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1588620015 LQNZPUHCMVMSNX-UHFFFAOYSA-N 405.524 1.639 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1589053657 ROTDWHQKUIZEIX-UHFFFAOYSA-N 416.595 1.656 30 10 HDEE CC(=O)N[C@](C)(C(=O)Nc1cccc(CC#N)n1)c1ccc(S(C)(=O)=O)cc1 1596328197 MYFGGDDCRGHPOE-IBGZPJMESA-N 400.460 1.541 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)nn1 1598174633 YYXDICFDSBYXHC-CYBMUJFWSA-N 415.450 1.159 30 10 HDEE Cc1nnc(N2CCN(c3ncc(Br)cc3C#N)CC2)c(C(N)=O)c1C 1611950084 FKPLKSSUQWBWIH-UHFFFAOYSA-N 416.283 1.548 30 10 HDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1620166353 SRSDBSVHWYIGCC-KURKYZTESA-N 415.519 1.570 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cn1 1620657009 FELNSSJBHNYUIW-MRXNPFEDSA-N 424.523 1.295 30 10 HDEE CN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623354714 AEWONKFUAQHKCS-INIZCTEOSA-N 403.914 1.318 30 10 HDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1625694102 YEHGZHGFJDSKMG-DNZUHHBVSA-N 406.483 1.665 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccsc2C#N)C1 1625807552 CVEHHUGQLNQANS-LBPRGKRZSA-N 413.521 1.774 30 10 HDEE CC[C@](COC)(NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC 1625900223 KBZLVMAIRVYSPM-OAQYLSRUSA-N 405.300 1.992 30 10 HDEE COc1ncc(NC(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 1627431285 CKGLLIFESSSRMD-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(C[C@H]3CCCOC3)c2C)CC1 1628146972 UHRAUCLBONJCSG-HXUWFJFHSA-N 414.550 1.429 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1631073155 WEMURHDYFREIEK-GOSISDBHSA-N 402.491 1.913 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Cc2csc(N3CCOCC3)n2)CC1 1632328310 AEAPOOFWQDDTDC-UHFFFAOYSA-N 415.494 1.882 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 1634318632 FQAKFCSULCYHNM-UHFFFAOYSA-N 401.492 1.674 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634362116 KBVIOZBWUSVEEM-QZTJIDSGSA-N 410.511 1.574 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CN(C)CCO1 1635760240 FAHOKXBIABQMPC-AOSSAHENSA-N 406.527 1.609 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1635887911 OXZRWSAMUJFGHQ-UHFFFAOYSA-N 418.469 1.442 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1636289324 QYWXGAZAOOKXRD-FQEVSTJZSA-N 409.467 1.683 30 10 HDEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1C 1636473060 ZKUKKBNJWFHKPJ-CYBMUJFWSA-N 401.515 1.941 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)c2ncc(C=O)n2c1 1637033394 SEQXHGVHZWSUKK-UHFFFAOYSA-N 400.254 1.240 30 10 HDEE CC(C)(C)OC(=O)C1CC2(CC[C@@H](CNC(=O)N3CCN(CCC#N)CC3)O2)C1 1638224359 XLGLVKYRANIJBJ-BATSVXPKSA-N 406.527 1.897 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639174882 CWWMUOZHHWFFTG-RAKLQZGLSA-N 409.508 1.030 30 10 HDEE COC[C@]1(CO)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1643116671 AFCVQAQNIGLSFG-OAQYLSRUSA-N 400.479 1.887 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C1 1643691419 DWTTWULBRUXVEH-MCIONIFRSA-N 405.520 1.929 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1644943411 XLSCBTHIEHYJKP-VQFGERMISA-N 411.502 1.719 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1644947545 FFZLHSQJWMCIQF-GOSISDBHSA-N 416.547 1.498 30 10 HDEE COc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 1646039241 OZSCQFFXXRAXQF-CYBMUJFWSA-N 405.480 1.521 30 10 HDEE COc1cc(Br)ccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648787125 HYARKKZUDGJXCE-UHFFFAOYSA-N 405.208 1.289 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](O)CCC)nnc12 1649093187 TUYICADCSDRDKD-AWEZNQCLSA-N 415.519 1.990 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1649128114 GCJYAGPLRXXUAW-GJZGRUSLSA-N 411.499 1.343 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(C(F)(F)F)nc1)c1cc[nH]n1 1651382343 VINVIFQXNDOEEI-JTQLQIEISA-N 413.356 1.985 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1653072548 DNYSCTQAXOSDDE-XKGZKEIXSA-N 405.495 1.577 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1654151987 KLDQPJRISJQHDJ-HXUWFJFHSA-N 417.550 1.455 30 10 HDEE N#C[C@]12CN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1656343882 QWTOTXJJNOEIFY-YSVLISHTSA-N 413.421 1.681 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCOc3ccccc32)c1 1665499606 VDVANYISVBEWLD-UHFFFAOYSA-N 415.471 1.306 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1 1669471289 ONINIIHZLFNEEH-KRWDZBQOSA-N 415.490 1.653 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1670852476 UQBLJAXZQQYZDJ-BBRMVZONSA-N 403.464 1.990 30 10 HDEE C#CCOCCNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1670936035 WRUWWWSWCCIUPH-UHFFFAOYSA-N 400.523 1.307 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)cc1 1673393344 NTNLWQCFEIUBFU-JKSUJKDBSA-N 421.479 1.836 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1680684752 HAJQKBUDJPZJKU-CABCVRRESA-N 401.529 1.771 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1 1681446771 PCBIJJMVVJNIFW-LBPRGKRZSA-N 402.879 1.335 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1682162880 HTVKICJZUQLCCG-YOEHRIQHSA-N 424.479 1.202 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@H]2Cc3cc(Br)ccc3[C@H]21)[C@@H]1CCS(=O)(=O)C1 1684577058 DOGHKNSUQUIFGW-XLNGHYISSA-N 423.332 1.919 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)NCC1(C#N)CCOCC1 1685656838 FDGCEBKKTZPUGP-UHFFFAOYSA-N 409.508 1.821 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1689926408 OYZLEHUFTOUXJS-OAHLLOKOSA-N 403.446 1.334 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC)[C@H](C)C1 1690236784 RDESEBJHACKBDL-SQNIBIBYSA-N 404.559 1.928 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690677996 HLZOJCWBLAIAFN-SJLPKXTDSA-N 419.526 1.454 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690994238 YNLVNFHEEVTICU-QINHECLXSA-N 402.499 1.448 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1691940795 VLLFTXOGKREJGN-MXLIYFDZSA-N 422.493 1.886 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1696634146 XLXKMIWANYRLRE-QAPCUYQASA-N 410.544 1.194 30 10 HDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1696767756 CPTZCYHFYMLNHA-UHFFFAOYSA-N 407.482 1.756 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1696918717 FWVLDURVSMCLEU-HXUWFJFHSA-N 405.466 1.071 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1OCC=C)[C@@H]1CCS(=O)(=O)C1 1705562155 YAXPQSFAQULELI-GOSISDBHSA-N 400.504 1.826 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1705570119 MVZCMVDSJSITRO-XLIONFOSSA-N 408.568 1.799 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1705610364 LXBKASQDSMVLNI-HNNXBMFYSA-N 411.432 1.401 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1705704214 RHFKRKYKZGELKP-VQIMIIECSA-N 414.510 1.549 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1705799284 RNBJPMMRIXSOOH-JKSUJKDBSA-N 409.556 1.847 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1705902414 DKBUJSZMOYXOIT-VQTJNVASSA-N 424.549 1.795 30 10 HDEE C[C@@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1706904242 FYGRTMGXKPFDLI-CRAIPNDOSA-N 410.478 1.231 30 10 HDEE Cc1nnsc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1707031979 BETNVHIHGCQCOT-QZTJIDSGSA-N 421.502 1.969 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709140078 PKWPZYUKQPWVSF-MRCUWXFGSA-N 421.505 1.694 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1709747065 BRRZKXDORHSLSD-UHFFFAOYSA-N 409.494 1.400 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1711173040 PWNGEZJWHJCQTE-FBMGVBCBSA-N 417.420 1.958 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc([C@H](C)O)cc1 1722426615 FEGVWSKUMKBPQT-KRWDZBQOSA-N 411.506 1.588 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H](OCC)C(C)C)CC1 1722429182 IFSNYLVRPIAJIF-LJQANCHMSA-N 416.570 1.721 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCCOC 1722474295 NINLVSXMUCHOGB-VQIMIIECSA-N 410.540 1.225 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1722535231 BVQKDUZUEHUPBT-CQSZACIVSA-N 418.523 1.174 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1722537984 SDTBXCVICVGZKQ-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722551934 HOXHRLNCFJXTRW-UHFFFAOYSA-N 415.929 1.417 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1722640342 LTCYIUZEKMMARX-KRWDZBQOSA-N 423.514 1.615 30 10 HDEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722646421 OXZNBMJMZSMLFP-SFHVURJKSA-N 423.926 1.698 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC(=O)N2)C1 1722709555 SLIKBPXULDAPGT-CVEARBPZSA-N 404.515 1.256 30 10 HDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1726756422 AYEQRMVXNGOFLM-AWEZNQCLSA-N 421.548 1.715 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)(F)F)CC1 1729308459 HTXBVJVVYJHKHL-UHFFFAOYSA-N 421.427 1.589 30 10 HDEE COC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1729801724 NSNLFZSNOXSYBU-UHFFFAOYSA-N 407.434 1.665 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1740538509 NBOOERMBKASJLT-JQVVWYNYSA-N 419.570 1.889 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1740614369 OUFVYXRTTCCDEM-MRXNPFEDSA-N 418.519 1.760 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1740637976 JIAIGEGESMAWDV-AWEZNQCLSA-N 404.396 1.906 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCC(F)(F)F)CC1 1740695060 BZLANHSYBXQDMB-UHFFFAOYSA-N 421.427 1.082 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2cccn2)CC1 1740832284 BIZPSBZEXATYDR-OAHLLOKOSA-N 407.544 1.578 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1740891184 UTAULJVBCLNVNK-CQSZACIVSA-N 416.617 1.338 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(OC)cc1 1740950834 JLHXBOPYKFMYGW-UHFFFAOYSA-N 412.494 1.461 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1741016221 FWLDVNQGNPEQPP-QGZVFWFLSA-N 419.493 1.298 30 10 HDEE C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1741838364 GAJOMOSPLGYIOO-KRWDZBQOSA-N 419.537 1.827 30 10 HDEE CCOC1CC(O)(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1746952100 CCZAMMOZBCRYCU-KOHRHEQBSA-N 403.508 1.589 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748766399 OZSUDQKKZBXNGF-IAGOWNOFSA-N 411.510 1.494 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748811134 CEABSDFHNGLKQV-OXJNMPFZSA-N 417.535 1.479 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cccc(C)c1 1748847979 ZXYKMPWARKFSRJ-FQEVSTJZSA-N 405.502 1.983 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1 1748956532 GGUNFKRAIWTQDQ-MUUNZHRXSA-N 402.520 1.951 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1748993821 NMIXCTTXOBDWKC-UHFFFAOYSA-N 406.534 1.784 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@@H]1C 1749482203 CZSRBTPTROAOSB-KUHUBIRLSA-N 420.539 1.400 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1749602519 HYOIHSGQAQUZTI-LAUBAEHRSA-N 412.494 1.306 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749664684 WSUWMSWNICEKLE-QGZVFWFLSA-N 421.505 1.432 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749761586 CFOLRUNCOZNIAH-HXUWFJFHSA-N 418.567 1.964 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCOCC1 1750207975 BHZVLBIXAIHQNT-QGZVFWFLSA-N 416.507 1.077 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1760098772 WVCGCTGVLSUMDR-GJZGRUSLSA-N 423.514 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760103651 JSCPTTLJTGOECC-DSGGYQJVSA-N 415.457 1.801 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1760118004 WQLQZOYRAKHMJD-YTQUADARSA-N 415.563 1.941 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCCO3)n2CCC(=O)NC)c1 1760128632 OAHRIHFZHGTKOP-GOSISDBHSA-N 424.505 1.712 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1760208565 FYOUJIHJANSCNY-UHFFFAOYSA-N 424.471 1.861 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1 1760210612 UQSCOVDYBSBPQA-INIZCTEOSA-N 417.510 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N(C)CC 1760219641 JSAZIXDURSQDOC-IBGZPJMESA-N 407.474 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCOC1 1760223497 ULLWCSIYODFGQY-QFIPXVFZSA-N 410.474 1.480 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760334669 KSJKUABRHMRMNO-SCTDSRPQSA-N 414.510 1.596 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)N(C)C)CC1 1760518820 IQTGICBWWMWJEJ-UHFFFAOYSA-N 414.510 1.843 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1761211278 LYHLNQNTOBNYRL-OXJNMPFZSA-N 402.499 1.494 30 10 HDEE CCOCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1766265369 SDMXFSSFUSXYEI-FXDIGPMBSA-N 402.499 1.966 30 10 HDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1766915775 DLPSHUOIOBSJEX-RIFZZMRRSA-N 406.506 1.928 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1768250925 CWQGCNQVRSJNPL-WMLDXEAASA-N 419.507 1.821 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1770349385 ZFQSZIJOKLECHK-IRXDYDNUSA-N 410.478 1.597 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC[C@H]1C 1770632283 KLLZORVZPFNYRG-APWZRJJASA-N 424.505 1.537 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C)O1 1770940291 FSHARXUUGHRBSS-YJBOKZPZSA-N 412.494 1.535 30 10 HDEE COCCN(C)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1771084609 GWYSSADFNDRNCZ-INIZCTEOSA-N 418.473 1.303 30 10 HDEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)c1 1772790010 IMTONAFGCARZIF-INIZCTEOSA-N 407.382 1.954 30 10 HDEE Cc1cccc(-n2cnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2)n1 1851316443 TWQRTBSRGKQBHJ-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2c3c(nn2CCC#N)CCC3)CC1 1851791036 JZPLBVBZTVPSEY-UHFFFAOYSA-N 401.467 1.416 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)cc1F 1852494378 VERSXXQYDYVTTH-UHFFFAOYSA-N 406.425 1.647 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)COc3ccc4c(c3)OCO4)CC2)nc1 1852804408 MLEAJHPBOARUSZ-UHFFFAOYSA-N 410.430 1.426 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1852895756 IVAPMAIECIXLMI-AWEZNQCLSA-N 416.956 1.826 30 10 HDEE CCOc1ncc(Br)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1853129072 QNYMDKCEDCKWAS-UHFFFAOYSA-N 417.267 1.867 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1CC(=O)N1CCC[C@@H](C)C1 1853830851 KQLKDWNUNYVJJQ-MSOLQXFVSA-N 410.518 1.809 30 10 HDEE C[C@H]1CCCN(C(=O)CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)C1 1853830854 KQLKDWNUNYVJJQ-ROUUACIJSA-N 410.518 1.809 30 10 HDEE Cn1cnnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1853988674 VGLANAVGQQSLNA-HNNXBMFYSA-N 407.478 1.340 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3cccc(Cl)n3)C2=O)C1 1854293097 XCJMGBLOWJMUBL-MRXNPFEDSA-N 411.849 1.896 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854449639 NWMIILSMOWXQQP-CVEARBPZSA-N 410.540 1.086 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CC(Cn4ccnc4C)C3)C2=O)CC1=O 1854827773 TXEAAOJXEVPHBM-RBUKOAKNSA-N 413.522 1.066 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1 1854987489 ZVEDCGPNDIFVHK-RTWAWAEBSA-N 410.518 1.415 30 10 HDEE CC[C@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1855046842 PLJQKVBFBZDZIR-HIFRSBDPSA-N 405.476 1.594 30 10 HDEE CN(C)C(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1855329045 JQWOVIMHJSHSKE-LJQANCHMSA-N 410.518 1.666 30 10 HDEE CC(=O)[C@@H](C(=O)N(C)C)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)[C@@H]1C 1855860338 NDANWRJYAQYKGD-SJCJKPOMSA-N 418.881 1.125 30 10 HDEE COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1855998821 FJVALNYGNSSWOU-LSDHHAIUSA-N 405.476 1.101 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1856149563 AWJQEFNXAOEHRU-HNNXBMFYSA-N 400.458 1.053 30 10 HDEE N#CCCN1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C12CCCC2 1856630659 YTCUGYYLYDGUFE-UHFFFAOYSA-N 402.886 1.463 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CC(c4nnc5ccccn45)C3)CC2=O)c1 1856689548 LNNRLWFUYMNAFP-MRXNPFEDSA-N 400.442 1.689 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@H]2CCc3ccccc3O2)CO1 1856903499 OTJATORKLXUPLW-FUHWJXTLSA-N 414.439 1.800 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C[C@H]2CCCCO2)C1=O 1857038213 RXIQUQURESSMRV-LSDHHAIUSA-N 405.476 1.815 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)CN2CCCCC2)c2ccccc2N1S(=O)(=O)CC#N 1857457751 VALITJBAQZHHNE-OAHLLOKOSA-N 404.492 1.484 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1=O 1857507743 CJWQLKFXKFGWSZ-UHFFFAOYSA-N 401.419 1.766 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1 1859009873 JYBUDOQFBTYTEL-UHFFFAOYSA-N 418.446 1.775 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)cc1 1866885724 QZEHVQUFZVAYHE-INIZCTEOSA-N 421.862 1.101 30 10 HDEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CSc1nnnn1C 1870253982 KVKZYONTUSUANT-UHFFFAOYSA-N 407.496 1.962 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccn1 1874433755 WVJVABZNNARHEN-DNTJNYDQSA-N 416.492 1.379 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(Nc3cc(OC)ncn3)CC2)cs1 1889544473 PEKMSEYCNYQIBS-UHFFFAOYSA-N 402.480 1.574 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)C1 1891577851 KEEHVUVVJMLBHA-UHFFFAOYSA-N 412.405 1.992 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](OC)C[C@H]1CNC(=O)OC(C)(C)C 1982284020 VTHNIUODGXEFPP-NWDGAFQWSA-N 413.334 1.839 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2118163053 NNQPTNCDODDCGS-SSINHNECSA-N 400.482 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNS(=O)(=O)N1CC[C@@H](C#N)C1 2174784177 LDXUUJMBHMYEHF-WFASDCNBSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C)CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174788439 FKTUNYQOCFDMGY-QGZVFWFLSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1C(F)F 2174789512 RGWRLNXKVIEBHG-STQMWFEESA-N 402.423 1.732 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2243384823 XAYAKGHQJMOMLT-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243677129 RIEIXJHQQZWCRL-HUUCEWRRSA-N 408.304 1.619 30 10 HDEE Cn1nc(C(=O)NC[C@H]2CCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2247918612 LNKXBEWPLXTFSJ-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247928222 YVJYZPBLPRCMNM-UHFFFAOYSA-N 409.295 1.769 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2248034472 YASLNKNENPZSGW-UHFFFAOYSA-N 419.331 1.644 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248058487 YYWMRSSSVAGWIH-UHFFFAOYSA-N 418.303 1.515 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258182429 BHIWHGRBBOKKET-DOTOQJQBSA-N 408.476 1.431 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H]3CCO)c2)OC1(C)C 2282332877 HNONIGVVJSRQAD-CQSZACIVSA-N 401.359 1.973 30 10 HDEE COC(=O)[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341492 SSYFKVWPSPUNME-NSHDSACASA-N 401.315 1.231 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282540063 DMVPXURYFCPJAQ-GFCCVEGCSA-N 401.359 1.989 30 10 HDEE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282834753 XPBVSEZWMIANNM-LLVKDONJSA-N 402.347 1.159 30 10 HDEE COC[C@@H](CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2282836820 POXKOLRUIXSHHP-GFCCVEGCSA-N 405.347 1.295 30 10 HDEE C[C@H]1CSCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282855982 LVWTXSPDEZNUEI-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CCSCC1 2282856926 AGPGZFFJAXVDCH-UHFFFAOYSA-N 401.363 1.141 30 10 HDEE C[C@H]1C[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869446 CUMBQONEPNIXEZ-JSGCOSHPSA-N 401.359 1.722 30 10 HDEE C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284417468 LPPYPIOPJULYKB-SNVBAGLBSA-N 401.315 1.674 30 10 HDEE C=CC[C@@H](O)[C@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314225022 IKCXZDQSWKVNGS-IAGOWNOFSA-N 406.504 1.650 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(CNC(=O)OC(C)(C)C)C1 2365206923 KBQORTNZRSRNNL-XAUUPUKJSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccc(C(F)F)nc1 2365824366 QSCBYYMXHVXSRY-GXTWGEPZSA-N 403.451 1.636 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367812830 XJLAUDJWSXNCGM-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)[C@@H]1C 2367815650 FPIOTVOBNCCSGS-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)NCc1ccccc1Cl 10063406 IRNLLWTZZYTLNI-UHFFFAOYSA-N 408.911 1.740 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 10751520 WKLFYLVPINPKHQ-UHFFFAOYSA-N 408.483 1.896 30 10 HDEE Cn1c(Sc2c(C#N)c(=O)n(C)c(=O)n2C)nc2sc3c(c2c1=O)CCCC3 14222452 ATFRXTCWKLGNCY-UHFFFAOYSA-N 415.500 1.294 30 10 HDEE C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 49447155 ZJQMZRLWQWTYSE-UHFFFAOYSA-N 406.504 1.210 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3cccnc3)n2)o1 59878518 LFWHAXCAMHIUHZ-FBCYGCLPSA-N 401.456 1.561 30 10 HDEE C/C=C1/C[C@@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 103287942 ZOIAVVNLMDKOIV-PTMLDYBRSA-N 407.463 1.580 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254391838 ZKZHDSBLWYBIHH-CABCVRRESA-N 424.500 1.746 30 10 HDEE COc1cc(C=NNc2nc(=O)[nH]nc2C)ccc1OCC(=O)Nc1ccccc1 254825387 YEPHVLIWZLFTJT-UHFFFAOYSA-N 408.418 1.945 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 427135161 ASTSGIQJROUFQC-UHFFFAOYSA-N 422.488 1.083 30 10 HDEE CCc1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 437881958 GDUMBEYBWXPWQM-UHFFFAOYSA-N 400.464 1.449 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447672518 UTOKZJJXNOEOTP-NRFANRHFSA-N 400.479 1.730 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(-c2cccc(C#N)c2)n1 467175713 LFAUDVOLEPJQJI-UHFFFAOYSA-N 407.455 1.855 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)ccc21 471071540 YUEVEBBETKONFK-AWEZNQCLSA-N 412.368 1.247 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 490521085 QYEQHOAWUIZEFN-UHFFFAOYSA-N 415.519 1.714 30 10 HDEE C=CCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508461337 LEMSRTQCUKAYAK-IBGZPJMESA-N 413.570 1.701 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1-n1cccn1 510238457 RDBAHGSPILZZKV-HNNXBMFYSA-N 409.471 1.727 30 10 HDEE CS(=O)(=O)CCCS(=O)(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 511367709 SMQBWFMWOYFZAP-UHFFFAOYSA-N 404.485 1.305 30 10 HDEE CC(C)(C)c1nc(CN2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)no1 533606016 FJKSSGINHCUMMC-UHFFFAOYSA-N 417.535 1.830 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCOC1 555511156 JZVHUJTYYSFCDJ-QGZVFWFLSA-N 418.505 1.913 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c3c(nc4ccccc24)CCN(C)C3)CC1 560867484 TVCXLENKLQDLSB-UHFFFAOYSA-N 407.518 1.283 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 565503352 RQGYSVITCXRMJB-NSHDSACASA-N 402.361 1.814 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 580057981 ZOZRYGAMNXMXLH-YQQAZPJKSA-N 408.499 1.358 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 583462312 DJORLDHHYKROQC-IRXDYDNUSA-N 411.483 1.950 30 10 HDEE CC(C)Oc1cc(N2CCN(C)[C@@H](CCOS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 584655996 NWTHTBKNOCRGDF-HNNXBMFYSA-N 401.485 1.869 30 10 HDEE C[C@@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@@H](C)O1 586861911 CVZFBBJHHDXLLF-IIDMSEBBSA-N 402.470 1.414 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(C4CCN(C)CC4)C3)cc2C1=O 601472682 OMUUCMGNUVHVIC-GOSISDBHSA-N 410.518 1.709 30 10 HDEE Cn1c(N2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C#N)c(=O)n(C)c1=O 608974814 AZIHUHGOWPCBII-MRXNPFEDSA-N 413.865 1.561 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C#N)cc2F)C1 609231746 LDNSONLLEDZFRT-MRXNPFEDSA-N 419.482 1.754 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610531464 ROYMSNMTPBKBHY-UHFFFAOYSA-N 404.423 1.714 30 10 HDEE C=CC[C@H](CO)NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 685843515 FUHHEEJYGJHZIN-ZSXPZZPQSA-N 406.482 1.519 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](C[C@H]1CCN(S(C)(=O)=O)C1)NCCC 691252377 AXMTXLYFHOOFRT-IKGGRYGDSA-N 401.573 1.943 30 10 HDEE CC1(C)OB(c2cccc(I)c2S(N)(=O)=O)OC1(C)C 694985418 OHYCNGNWXDPVEA-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415484 RAHIZERAEUHYAA-UHFFFAOYSA-N 413.405 1.552 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC(N(C(=O)[C@@H]2CCCN2CC#C)C(C)C)CC1 732065542 NFALINNXVSPQJB-VXKWHMMOSA-N 412.578 1.410 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C)cc3)C2=O)CC1 745879503 AARAWHRLDBKYNO-LJQANCHMSA-N 413.522 1.120 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)ccc1SC 746483651 KSBGFKBULMSDIH-OAHLLOKOSA-N 413.524 1.846 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)Cc2cccc(C#N)c2)ccc1C 750433517 ALOBNACYYWIAHG-UHFFFAOYSA-N 401.444 1.499 30 10 HDEE Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C#N)cn2C)c(=O)n(-c2ccccc2)n1C 751734934 ZPRMALGOMRFRJO-AWEZNQCLSA-N 407.430 1.879 30 10 HDEE COC(=O)COc1c(C)cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1C 752156793 GQSYNAWUHBLABN-UHFFFAOYSA-N 416.455 1.987 30 10 HDEE N#Cc1cccn(CN2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)c1=O 758178745 PHOUWFZMOYVEQF-UHFFFAOYSA-N 419.407 1.953 30 10 HDEE CC[C@@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 758949964 XCEGJRNBKDLSNV-NSHDSACASA-N 416.297 1.502 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=Cc2cnn(-c3ccccc3)n2)C1 764566819 RJBKRXRVZSWMFN-IBGZPJMESA-N 400.483 1.091 30 10 HDEE N#CCOc1cccc(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 767148582 IJAMQTDLBBXNSK-LEWJYISDSA-N 418.497 1.847 30 10 HDEE CNC(=O)c1cccc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767633378 ACQVFILAZHTPOR-CYBMUJFWSA-N 401.444 1.328 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC2=O)cc1 771079721 XVDNVKOZXQDVJM-CYBMUJFWSA-N 407.517 1.901 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1 773832361 PGSHGLGCVRMZLD-AWEZNQCLSA-N 400.382 1.365 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774173207 VREPLCJYVXZGIS-KBXCAEBGSA-N 418.519 1.863 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2cccs2)CC1)[C@H]1CCS(=O)(=O)C1 774188276 UGQQYTUAGGVPPC-KRWDZBQOSA-N 409.577 1.792 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)c(Cl)c1 782806927 GXWQGMPBFCQOHQ-OAHLLOKOSA-N 423.864 1.535 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)n1 790105563 PVVYKAXKZGOYQB-LJQANCHMSA-N 410.474 1.502 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccnc3c(C(=O)OCC)cnn23)n1 790107842 MWIKARLPOVPNCJ-UHFFFAOYSA-N 410.434 1.025 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 790687025 XOHWOMYADLYHRP-JOCHJYFZSA-N 407.426 1.894 30 10 HDEE Cc1ccnc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 795798068 XGUSJSLKAUPBRD-UHFFFAOYSA-N 422.401 1.410 30 10 HDEE C=CCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 795956561 OXWYASOPWAQPAJ-INIZCTEOSA-N 415.556 1.131 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1)n1cnc(C#N)n1 800334478 DQQCFAGTNPLYAS-HOCLYGCPSA-N 411.466 1.926 30 10 HDEE C#CCC(CC#C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 806763707 TWXNYZZFSPWNTM-OAHLLOKOSA-N 411.239 1.810 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 917243543 ZRCQXZKQHHVGQC-LIRRHRJNSA-N 406.483 1.569 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 921018938 CJPDVMOAHNUPQW-ZBQKJFDRSA-N 410.521 1.359 30 10 HDEE C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1116189119 CASGNWPRWBXNBV-DXZXOIORSA-N 404.492 1.653 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CO1 1124724229 MNDAXEBBDWHDAG-UONOGXRCSA-N 419.482 1.583 30 10 HDEE C=CCN(C(=O)CCC(=O)N1CCC(O)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1138239401 ZVVFGHZQQVDUPH-HXUWFJFHSA-N 416.518 1.939 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C(C)(C)c2ccc(C#N)cc2)c1 1141635862 JFBKZXBEKRMXSU-UHFFFAOYSA-N 415.471 1.926 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccc(C#N)cc1 1142426910 VUCSQNKNAWHSPR-UHFFFAOYSA-N 402.432 1.446 30 10 HDEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCN(C)C1 1147111338 OSIYXEQAHRYERW-SFHVURJKSA-N 404.536 1.512 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)ccc1F 1153891615 ILHIGNVRLYGGCB-GOSISDBHSA-N 416.471 1.113 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1157759497 AHVXFTFTZKMFFG-KRWDZBQOSA-N 410.536 1.929 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)Cc1ccccc1 1163407646 CYAQCSSPQMXMQR-HNNXBMFYSA-N 413.478 1.835 30 10 HDEE N#Cc1cccc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1[N+](=O)[O-] 1185461138 VRBCHFUIKFKFHZ-UHFFFAOYSA-N 401.467 1.521 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2ccccc2)Cc2ccco2)c(=O)n1CCO 1189977356 MHZLTJWNCKOGCP-UHFFFAOYSA-N 422.441 1.004 30 10 HDEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1193304949 BKRSZDXYFAWUNI-UHFFFAOYSA-N 412.471 1.836 30 10 HDEE C=CCOc1c(Cl)cc(CNCCS(=O)(=O)N2CCOCC2)cc1OC 1200269106 SQSGYIDGUDFLHR-UHFFFAOYSA-N 404.916 1.665 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)NCCS(=O)(=O)N3CCCC3)CC2)nc1 1224126010 ABXARKCYUMELET-UHFFFAOYSA-N 421.523 1.368 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)c(F)c1 1251270302 HZWJPGQDIVVAGB-UHFFFAOYSA-N 424.498 1.676 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 1253348959 VVPDNEIJEMZWEN-RBUKOAKNSA-N 420.554 1.751 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cc1 1254382816 NHOZJPIURDMXSS-QAPCUYQASA-N 400.460 1.664 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2cc(=O)n(CC(C)C)[nH]2)cc1 1264609010 GILNGTYPZRZJQJ-UHFFFAOYSA-N 406.508 1.820 30 10 HDEE Cc1csc([C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)n1 1274401640 IDKQSGRNLOETGY-GFCCVEGCSA-N 418.422 1.910 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286303828 DVPNATKMFBVSFK-FPCVCCKLSA-N 416.526 1.785 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1286356789 VJYPXXYYUASTBF-CQSZACIVSA-N 400.508 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)CN1CCOCC1 1286402572 YQLCEBLRNURFFK-SFHVURJKSA-N 422.489 1.894 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)NC(C)C 1286425469 MBEYRXVAGSJKHW-UHFFFAOYSA-N 400.508 1.131 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1286441381 XAXOPHOGNKMZRQ-LJQANCHMSA-N 422.493 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1286461960 AMJRPKICAYSUGY-UHFFFAOYSA-N 422.489 1.371 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286788371 VKOPKQNDJQWMKY-DYESRHJHSA-N 418.542 1.123 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CC1 1288986454 URMDEJYDFJTDDR-HOTGVXAUSA-N 423.539 1.116 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1290865590 UINOEJKCZWJGSJ-CQSZACIVSA-N 406.416 1.815 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cnc(I)c(O)c2)c1 1291814309 GMHQXSQGOQOSLB-UHFFFAOYSA-N 421.194 1.742 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(N)c1 1293349358 HOXUODNKJOEJKR-QGZVFWFLSA-N 412.515 1.913 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1F 1296838240 YVQPWBRKKAPDDK-UHFFFAOYSA-N 400.297 1.657 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1300429821 CTMHUANMQIHMAA-OAHLLOKOSA-N 419.555 1.247 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1Cc1ccc(C(N)=O)nc1 1300545838 WSUVQSPPKDHYLW-UHFFFAOYSA-N 423.480 1.896 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCOC[C@@H]1CCCO1 1300813189 DLMKAXFBWXGEBW-PGRDOPGGSA-N 415.538 1.978 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCSC2)C1 1301482374 WBUDDMDLEPCJLL-DNVCBOLYSA-N 409.556 1.638 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1304638610 IKCQGJVLXAQBEO-HNNXBMFYSA-N 406.446 1.941 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1nnc2n1CCN(C)C2=O 1308067372 CXRDAFJZCWJGNK-CQSZACIVSA-N 402.524 1.460 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)CC1 1310343857 ZWDNXKTYFXKENK-UHFFFAOYSA-N 422.551 1.991 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)C1CCOCC1 1311719317 SDIOABULUWTTQD-QGZVFWFLSA-N 407.536 1.991 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H](NC(=O)NCC#CCO)c2ccccc2)c(C)c1 1313191477 QVKITGWCGZSHDB-LJQANCHMSA-N 415.515 1.618 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1314699784 VKDGGQJMYWIRIC-VXPUYCOJSA-N 407.478 1.779 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nn1 1354786180 JBHYQVKRJULHDA-UHFFFAOYSA-N 411.487 1.764 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1358964353 XRJWWAMMLTXFIH-ZWKOTPCHSA-N 424.567 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1358974888 VOZPVSVLLVJLGP-ZWKOTPCHSA-N 408.458 1.329 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1358984756 GFFVPOBQMMSBDV-IAGOWNOFSA-N 419.551 1.168 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N2CCOCC2)CC1 1359174962 VJKVELSGRFSZDE-NRFANRHFSA-N 419.526 1.191 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1359187230 GJDHVGIOMYDUBC-SJORKVTESA-N 404.559 1.988 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1359269999 XSFYFIDWRGGGLG-UHFFFAOYSA-N 403.508 1.458 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(O)cc1 1359281949 NQEORDCYUGEKDM-INIZCTEOSA-N 406.508 1.573 30 10 HDEE CC(C)(O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1359599949 CVJHDNFPCMZDAK-UHFFFAOYSA-N 419.493 1.489 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1360288769 FZHKRLUXOXPCMI-SFHVURJKSA-N 419.493 1.774 30 10 HDEE C#CCOCCNC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1435662219 FDWXOZVCKNZGJH-GFCCVEGCSA-N 413.425 1.777 30 10 HDEE CCCN(C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1)c1snc(C)c1C#N 1439479120 GVZPXHWIYDVOGT-AWEZNQCLSA-N 416.507 1.962 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1OC 1453509564 MMZVCZQQPBAUBN-ALCCZGGFSA-N 411.462 1.827 30 10 HDEE COCc1ccc([C@H]2COCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)o1 1462920702 AMLQDGQEYYUGDG-OAHLLOKOSA-N 419.459 1.065 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1C 1462988440 DTWAHUIHXRLUNF-UHFFFAOYSA-N 407.423 1.896 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)C1 1463091126 WIOPMKSTKKNEKO-QGZVFWFLSA-N 418.515 1.952 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 1464110309 JCALHAPROMXMNC-QGZVFWFLSA-N 410.923 1.735 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1466787951 ZROFKEQPFGLVKR-UHFFFAOYSA-N 424.523 1.913 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1469581236 AKARRLHULSZAJZ-UICBKRPASA-N 418.494 1.855 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470025923 ISWYABKROJOYEK-RDJZCZTQSA-N 419.957 1.953 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C2)nn1 1470584340 OONGZESESZICAF-MRXNPFEDSA-N 408.503 1.368 30 10 HDEE C=C[C@H](C)ONC(=O)NC[C@H](O)COc1ccc(I)cc1 1470680518 WJQIEOSKXYEMLR-JQWIXIFHSA-N 406.220 1.836 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1478655714 JDKMPUBQMOKDMW-XHSDSOJGSA-N 423.510 1.962 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 1479134714 FPYMVJPMYDMIOA-UHFFFAOYSA-N 409.527 1.779 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](Cc3cccnc3)C3CCCC3)C2)c(=O)nc1O 1479165975 BIFPNSOLWMCVGV-SFHVURJKSA-N 408.462 1.583 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1503725448 MERZNWICZRXMKQ-FCHUYYIVSA-N 421.505 1.257 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1504525665 BJFVVTPYABRVHH-CEXWTWQISA-N 424.505 1.789 30 10 HDEE COC[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1504574071 XEHKSABOTBDGPI-INIZCTEOSA-N 421.509 1.554 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)C1 1505314391 CFGXFQFOUNGQTM-KBXCAEBGSA-N 407.446 1.810 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1505322136 JJPCREFXSARDPS-HZPDHXFCSA-N 400.870 1.530 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507589322 JMLSYKMOBNYYSE-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507621447 ANFYZMKNMPATDJ-TZMCWYRMSA-N 408.553 1.627 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1507665916 WYHWFPBNGNHTIN-UHFFFAOYSA-N 424.530 1.449 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC)CC1 1507798672 HKHSKGZKFXADIY-WMZOPIPTSA-N 411.510 1.679 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCNS(=O)(=O)CC)CC1 1507901311 IREXMVCSBZFDGN-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1508068236 VRQFVRNRXKJMDF-HOCLYGCPSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC2CC2)CC1 1508085316 TZDXKWYSFUKFDB-UHFFFAOYSA-N 415.567 1.468 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099451 XSAIABSXSGTZKE-NHCUHLMSSA-N 421.542 1.626 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@H](F)C2)C1 1508116604 RXLBKBSZABUANU-ZJIFWQFVSA-N 415.535 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCS[C@@H](C)C1 1508142189 RFLUSQUAPSPFFB-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1509805037 KLRRAQNYCKVGQB-XFWGSAIBSA-N 423.489 1.301 30 10 HDEE Cc1csc([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)n1 1511438853 APNBICJEZVMSTC-ZFWWWQNUSA-N 415.523 1.812 30 10 HDEE COc1ccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)cc1 1517004120 DTRMUXZEHPXULP-OAHLLOKOSA-N 412.450 1.861 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1519162080 BZYUSPKRXGFUFB-MRXNPFEDSA-N 418.523 1.531 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)[C@@H]2C[C@@H]4O[C@H]2[C@H]2C[C@@H]42)C3)CCOCC1 1524621007 DJGJPJNAGNYCTQ-FLIUJYPFSA-N 400.519 1.985 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@H]2C)C1=O 1531152373 VSRQRVYKVIDINO-GVDBMIGSSA-N 412.490 1.473 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OCC 1535091718 QUNGFJGHCBUZFI-OAHLLOKOSA-N 421.885 1.568 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 1536951581 ZNLMMFNXLLNVTD-UAPYVXQJSA-N 417.531 1.461 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)Cc1ccc(Br)cc1C#N 1537508867 FYFRBISCYSYREC-QGZVFWFLSA-N 405.252 1.808 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2S1(=O)=O 1538122954 NHVCRNSPIKPGDQ-GFCCVEGCSA-N 405.354 1.052 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1538972079 JERWZTGUDHSHAI-CABCVRRESA-N 415.523 1.396 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1539003357 CHSYJMKXRGNJOV-LBPRGKRZSA-N 403.450 1.721 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1539012225 FHSQHPSEPAFKHP-WOJBJXKFSA-N 423.565 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1539015056 NRZFYUMJMIRZSA-AEFFLSMTSA-N 417.535 1.426 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1539396961 VRUUOYHNOKJKQX-WNRNVDISSA-N 411.506 1.295 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539701425 FYWYZRYYAXETON-QGZVFWFLSA-N 404.515 1.670 30 10 HDEE C=C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539846520 RYPRYTFPBUMYAC-UHFFFAOYSA-N 410.522 1.896 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2COc3ccccc3O2)s1 1540603423 HSKPJIIKILEZBM-CYBMUJFWSA-N 408.501 1.711 30 10 HDEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1nccs1 1540728441 HQCCKDXLXGOGIB-UHFFFAOYSA-N 404.517 1.825 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1540853713 KLXZBAIHUPNNLK-HNAYVOBHSA-N 405.524 1.481 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](OCCOC)C1 1540866581 SBTUSMQNTYBTLN-HNNXBMFYSA-N 420.901 1.537 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1540870358 LMBDULLDLRXYGQ-HNNXBMFYSA-N 421.509 1.225 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540872222 HJAYCPSYEKIANI-PKOBYXMFSA-N 424.549 1.853 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC(=O)N1C 1544754771 HSPMQYANUMXARO-APWZRJJASA-N 424.505 1.679 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1545818617 KIMHDMBWNKHMHR-JKSUJKDBSA-N 414.462 1.682 30 10 HDEE CO[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1554600732 FKQHFIZNBUNHRB-FUHWJXTLSA-N 411.510 1.800 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C(=O)OC 1556971029 OYOYLWQRVRAMEL-MOPGFXCFSA-N 416.499 1.824 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1560182700 OECFNIJMPDAYFH-AUUYWEPGSA-N 414.487 1.606 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 1565156681 NWZQWXRBLFLAOV-MSOLQXFVSA-N 407.898 1.920 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(Cl)cccc2Br)CC1 1565590059 LEGJNIXCCARCRJ-UHFFFAOYSA-N 412.715 2.000 30 10 HDEE C=C(C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1569368790 TWSNPZVMOLXUTH-CQSZACIVSA-N 421.441 1.700 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC3(CCOCC3)CO2)s1 1587520618 NYPQAYOGZXIXOI-AWEZNQCLSA-N 414.549 1.457 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1587842057 JRFMTKMHPQOIIB-QGZVFWFLSA-N 407.478 1.520 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1588074946 USEANHBJTGXLEF-MRXNPFEDSA-N 423.564 1.449 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1588450111 VIHCPKBIZLCBSU-UHFFFAOYSA-N 417.491 1.987 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1588741595 FPVDJDCNHKEQBS-IBGZPJMESA-N 423.565 1.827 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1593740572 CFISGPUWUUTSON-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1593741895 ZQPPUWMQICNMSJ-QGZVFWFLSA-N 407.515 1.060 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(n2c(O)nc3cccnc32)CC1 1595713702 MRLFCILKXYYSJN-ZPHPHTNESA-N 410.434 1.217 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CCCO)C1 1595715269 UOPSMANCMUGIPS-QZTJIDSGSA-N 413.526 1.363 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C)C1 1595776453 AFOXPMKHESQNFP-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1596702915 ITWJOYRBVRCPLH-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1615094844 HTRJJPIMVMJDQC-MRXNPFEDSA-N 409.494 1.387 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1619909600 DBWPEMZTJKJREX-IRXDYDNUSA-N 410.544 1.157 30 10 HDEE N#Cc1cnc(C(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(Cl)c1 1622505089 DHIHBKSHLXFEGE-ZDUSSCGKSA-N 400.822 1.661 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNC(=O)c2cccnc2)CC1 1624599068 COOQPVHZWFCTAH-UHFFFAOYSA-N 400.479 1.578 30 10 HDEE C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1625185217 LCNRNGXVWJLITH-CABCVRRESA-N 401.529 1.857 30 10 HDEE N#C[C@]1(C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)CCCOC1 1626443189 HCVXKSYZLUTEIP-LJQANCHMSA-N 405.476 1.954 30 10 HDEE CN(CCN1CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1627937712 COKIPPNUURCDJH-UHFFFAOYSA-N 407.312 1.548 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](n3ccnn3)CC2)ccc1F 1630656176 HJTBKKXGVSYLDW-OAHLLOKOSA-N 407.471 1.749 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3nc2O)CC1 1634876241 IQSNUVRTOGZQND-UHFFFAOYSA-N 420.391 1.466 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCCCC1 1636612913 JQGNXUMPZXGUKU-OAHLLOKOSA-N 416.950 1.741 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCO[C@H]([C@@H](C)O)C1 1638993350 VRCRZEMPRLJBNW-ABAIWWIYSA-N 413.268 1.706 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1641632458 GVLAMRWTMQJSBS-AWEZNQCLSA-N 414.487 1.524 30 10 HDEE C=CCN1CC[C@H](N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)C1=O 1647859945 AEAZREAFXQAVNR-KKSFZXQISA-N 401.511 1.891 30 10 HDEE COC[C@H]1COCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1648403931 GQAVHLMYVMSSEG-IRXDYDNUSA-N 416.522 1.703 30 10 HDEE COC(=O)c1ccc(CC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cn1 1654530728 GYFNVVNTASGZGV-UHFFFAOYSA-N 419.235 1.594 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(O)(c2ncnn2C)CC1 1654685915 TUYFDWLJMCMFEY-GFCCVEGCSA-N 400.508 1.548 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nc(C3CCOCC3)n[nH]2)c1 1656326554 GKZNQXHRKUAPLC-UHFFFAOYSA-N 405.480 1.093 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1657840068 HNWGHEFNPSYNHW-BFYDXBDKSA-N 411.524 1.933 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)CC1 1658847021 LJQPGVQNSOPOTP-AWEZNQCLSA-N 422.507 1.026 30 10 HDEE C[C@H](O)[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1658969998 IDOSGZHKFBHONA-FTRWYGJKSA-N 416.522 1.438 30 10 HDEE C#C[C@H]1CCCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1659178454 UNNNDMOGWXVMJI-IBGZPJMESA-N 419.547 1.616 30 10 HDEE COC(=O)c1cccc(CN2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)c1C#N 1659462367 PAFYKRFBMNRHKT-OAQYLSRUSA-N 419.478 1.433 30 10 HDEE C=CCc1cc(CNS(=O)(=O)C[C@@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1659833964 RRPPDJAJIHVELP-CQSZACIVSA-N 417.549 1.677 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H](C)C(=O)OC 1665507571 VAGPQOIVOPHELD-CQSZACIVSA-N 402.513 1.460 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(CSC)n[nH]2)cc1 1667956169 KCBDXDYDPHTVIU-UHFFFAOYSA-N 410.525 1.796 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H](CC(N)=O)c3ccccc3)C2=O)cc1 1671576014 AZTAOGSGRRSPFC-RBUKOAKNSA-N 405.458 1.970 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc(CS(=O)(=O)NC)cc2)cc1 1676053774 MPTXSWZUHQPURF-UHFFFAOYSA-N 401.488 1.747 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCc1ccc(C#N)s1 1683288024 HCJJHZLBNKRVQX-UHFFFAOYSA-N 412.468 1.627 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1689944250 NNJMZSKKGYXSOM-UHFFFAOYSA-N 415.457 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@@H]1COCCO1 1690005109 SBESRTSHSJKPGR-OAHLLOKOSA-N 418.295 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1690047545 SXXXIWVOQATUOW-SFHVURJKSA-N 412.515 1.591 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690077184 KNDQXYOCROYSNG-NHCUHLMSSA-N 409.534 1.856 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1690299610 YZTJEWXPWJMGNK-ZWKOTPCHSA-N 403.527 1.970 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690666885 JIYMORPYLZRGLQ-QFBILLFUSA-N 405.506 1.792 30 10 HDEE CC(C)C(=O)NCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1C(C)(C)C 1691490348 IZXKVAXVPJSFQP-QGZVFWFLSA-N 401.559 1.914 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2nncn2CC)CCOC1 1696046457 HCMZNUWCFVWERL-FQEVSTJZSA-N 414.514 1.720 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1Cc1ccn(C)n1 1698062436 BGXXIIYGSZZOMM-UHFFFAOYSA-N 400.512 1.782 30 10 HDEE CSCCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1698428852 KUAXOCJHBJBTFO-ZMMDAZFZSA-N 420.539 1.845 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705532625 PNDRDUNPEICJLT-MSOLQXFVSA-N 423.583 1.693 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705566704 PNNGZWDWFJOBOD-DLBZAZTESA-N 420.560 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1705580541 MDZUQDPCCDJOFF-UHFFFAOYSA-N 413.441 1.610 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)CC1 1705769194 LTIBAFVACAJHBZ-HNNXBMFYSA-N 419.555 1.731 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](CC)C1 1705909360 UXTMAYCQMAIBEF-UXLLHSPISA-N 409.556 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CC2)C1 1705925018 JPRGEEHLJUVVFD-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2OCCC2(C)C)C1 1705929748 WXHLFDNMODNEAW-SJORKVTESA-N 403.527 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1705934840 YOGOVCHLNPAQHY-UHFFFAOYSA-N 423.583 1.841 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1706611517 IEXQEPQGMRUMPC-GOSISDBHSA-N 422.555 1.514 30 10 HDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1711207178 DSXNZXDMAUZMQN-SFHVURJKSA-N 415.542 1.507 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1712263697 CPYPCRFRZJHKQF-KRWDZBQOSA-N 417.473 1.832 30 10 HDEE COCC[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712352876 RXAXDABPFVRYQH-QBNCKDSPSA-N 416.526 1.866 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)CC1 1712885797 YKOBJRSMGBVRSP-QZTJIDSGSA-N 416.526 1.802 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CC(=O)N1CCOCC1 1722346328 OVEYYIGXQMYUHX-UHFFFAOYSA-N 424.324 1.697 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1722362952 XJLGOLIHFKGRIZ-INIZCTEOSA-N 405.524 1.717 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@H]1OC 1722386293 SOFYCWQZWTURDD-GHTZIAJQSA-N 424.501 1.990 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1722413176 IWYZUXZBCPOFEM-CYBMUJFWSA-N 407.462 1.134 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1722415487 AMHKZGUIWMIPEW-AWEZNQCLSA-N 415.502 1.381 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@@H]2CCOC2)cn1 1722416695 PGUOMYCQYYKPKU-LJQANCHMSA-N 422.537 2.000 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCCC2)CC1 1722430183 ZZGAOJCCZNCSAN-UHFFFAOYSA-N 402.543 1.257 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722462756 RUBTULATLIZUFE-KRWDZBQOSA-N 417.579 1.898 30 10 HDEE C#CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1722464977 VMYYFKKGXPCZFL-CQSZACIVSA-N 404.540 1.415 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1722555395 KERACYZWBUWYAT-ZDUSSCGKSA-N 403.936 1.742 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1722917668 FUDMDUMUJKPOSD-QGZVFWFLSA-N 411.510 1.584 30 10 HDEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1728201957 BBIYEPJDPRSVDL-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1728794273 HFKHVANNAAZAIK-UXHICEINSA-N 417.489 1.771 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)S[C@H](C)C1 1729738815 AMMNWRRVXJCJEI-ZIAGYGMSSA-N 420.564 1.696 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1740599846 GJWPISMFGHTHMZ-CYBMUJFWSA-N 407.496 1.023 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1740601987 OCEDTELIZYJNMK-OAHLLOKOSA-N 418.523 1.031 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1740620031 BNTHZPXOTUJVSL-HNNXBMFYSA-N 420.564 1.201 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCNS(=O)(=O)CC 1740631496 UPBSXVLOKHNJOF-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1740633018 SKOYNJJIYYZREH-JOCHJYFZSA-N 415.538 1.114 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740810292 AXFWANQYXNQRCO-DJJJIMSYSA-N 422.917 1.739 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1740941165 DDYRIOCTQMLYAC-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1740953593 LMIRDCSZXNORED-NRFANRHFSA-N 413.478 1.252 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1740959460 WHSGDSAPEDQWOZ-ZDUSSCGKSA-N 409.450 1.121 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1740961065 KHQAMOFMPHUBLF-UHFFFAOYSA-N 403.556 1.870 30 10 HDEE Cc1nn(C)c(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1742657860 FQEQEYHOQPZMFT-MRXNPFEDSA-N 417.539 1.319 30 10 HDEE C#CCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764510 QLBRJGNVVFZOSF-KNQAVFIVSA-N 412.538 1.909 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1748817134 FUZDJMGQIWHCPI-CVEARBPZSA-N 400.504 1.643 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1748823947 FXVLGQCOILAZKT-IBGZPJMESA-N 416.547 1.992 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749096960 ZDWPPQKSVYSRAQ-INIZCTEOSA-N 422.287 1.618 30 10 HDEE C=CC1CCN(c2nnc(C(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1749329565 PDGOPJUACXCCHT-UHFFFAOYSA-N 408.528 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749664396 MLNJQEVFVXIMII-CQSZACIVSA-N 421.498 1.400 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1749756216 UUQHZLJOYBWLMQ-JKSUJKDBSA-N 414.597 1.961 30 10 HDEE CC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1749907410 FAYNFYUNJYWCRX-MJGOQNOKSA-N 410.478 1.908 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1749971465 LCKPQRTXPGLGRM-SMOSDQRPSA-N 407.515 1.672 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1750008696 PKXIWOJCJWRDRO-ZIAGYGMSSA-N 420.436 1.225 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CCO1 1750013635 HPTXUPNJGOMGDH-FQEVSTJZSA-N 423.521 1.254 30 10 HDEE CSC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CCOCC1 1750257753 CIGCXNRPWFPYSE-UHFFFAOYSA-N 412.519 1.665 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc(-c3ccc[nH]3)n2CCOCCCO)CC1 1750384600 GYFZGMUTEBSICU-UHFFFAOYSA-N 421.505 1.870 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1751089272 DTWSUGHEMHDBPQ-INIZCTEOSA-N 403.531 1.363 30 10 HDEE Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1751499427 CXDIJWXXIDSJMI-HNAYVOBHSA-N 420.514 1.881 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cc[nH]n1 1760103381 DTIGUAHHYKTKQC-CYBMUJFWSA-N 408.422 1.464 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1760110382 CVYNRRPDLKZVLM-DBDZUICISA-N 403.508 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1760111652 QIYORZRQHSUYQB-CQSZACIVSA-N 400.508 1.824 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)CC 1760121599 WWWXUOWXFXPDON-MRXNPFEDSA-N 404.536 1.965 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1760182528 KAFIPIOSSMDRBD-CYBMUJFWSA-N 417.482 1.088 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760279027 OTCAGWGZGNMVQA-HUUCEWRRSA-N 407.565 1.964 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760284477 NBDAZNWRJDXNBN-KRWDZBQOSA-N 411.535 1.186 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)CC1 1760323106 AQUOIZJVNDPSEH-KXBFYZLASA-N 416.551 1.941 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760440529 LUBIFESYZRSCNN-OXQOHEQNSA-N 424.567 1.921 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760451084 ZFLBULCIRLNTBO-GVDBMIGSSA-N 408.499 1.125 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CCO1 1760667755 FJODGJGCQCSPSL-KRWDZBQOSA-N 410.434 1.701 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1761544927 NGCJWRVKYLPGGH-IIBYNOLFSA-N 409.494 1.844 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1769285309 UVXQHMKTJFZLCX-ZWKOTPCHSA-N 414.485 1.965 30 10 HDEE COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1770964507 XHMJOFDIBAJCME-YOEHRIQHSA-N 414.466 1.154 30 10 HDEE COCCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1771157311 QUNWJAUKRJLINF-UHFFFAOYSA-N 400.483 1.893 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(N3CCC(C#N)CC3)CC1)CS2 1849890605 JWNOQYOIIJMATE-INIZCTEOSA-N 401.536 1.500 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c1 1851540500 JBUYQHRUHVBZLR-HXUWFJFHSA-N 413.499 1.869 30 10 HDEE O=C(c1ccccc1-n1cnnn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852109189 VPINHNCPNLXGGV-UHFFFAOYSA-N 402.358 1.537 30 10 HDEE Cc1nc(Cl)cc(N2CCC(C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2)n1 1852424235 QPKOMLLEZZOPLQ-UHFFFAOYSA-N 419.894 1.920 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cn1 1852742015 QDAAGZDCPCPRBQ-OAQYLSRUSA-N 422.510 1.824 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)CCc3scnc3C)CCC2=O)CC1=O 1854862038 FMHLHSWFPKVVGX-SJORKVTESA-N 418.563 1.726 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3c4ccccc4nn3C)C(=O)C2)C1 1854957092 WCRWTZKVRBVMNB-DLBZAZTESA-N 408.506 1.624 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)C1 1855868341 ZCNICNFSKXGWTG-IAGOWNOFSA-N 404.511 1.854 30 10 HDEE COc1cc(C(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)ncn1 1856455930 CZDXLEHMTFBRKC-KRWDZBQOSA-N 406.446 1.373 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccccc3)C2)CC1 1857026393 LDILNHWLGYAAGP-SFHVURJKSA-N 403.504 1.560 30 10 HDEE CCN(CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O)C(=O)OC(C)(C)C 1857388695 NYMKARNYWDIKHT-UHFFFAOYSA-N 400.479 1.986 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1C(=O)O 1862598155 RQZRCPPCLLBNRO-SFHVURJKSA-N 424.409 1.805 30 10 HDEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870097936 FHTZASWQSCMGKS-UHFFFAOYSA-N 410.375 1.724 30 10 HDEE C#CCOc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871007583 IYVIPQAAINHZMO-UHFFFAOYSA-N 417.418 1.398 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 1872897827 FZJMRUBLTNZFIK-KRWDZBQOSA-N 412.490 1.539 30 10 HDEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)ncn1 1889365746 SQFYHIBGEKYTIZ-UHFFFAOYSA-N 415.538 1.136 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@H]1C#CCN(C)C 1889871346 HKCNTKOFVTVYCV-RTBURBONSA-N 420.579 1.348 30 10 HDEE CN(C)c1nc(CNC(=O)c2ccc(C3(C#N)CC3)cc2)nc(N2CCOCC2)n1 1889952011 MITCFTHFECNCQA-UHFFFAOYSA-N 407.478 1.259 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCS(=O)(=O)CC2)[C@@H]1c1ccc(C#N)cc1 1892067096 YUECNPYNTURCMB-ROUUACIJSA-N 421.544 1.209 30 10 HDEE N#C[C@@H]1CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)CCN1Cc1ccccc1 1914873591 ONMPMXJLEGMACQ-CQSZACIVSA-N 403.895 1.674 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cnc(C#N)cn1 2050129520 YAHKONJXCMCIFI-KRWDZBQOSA-N 403.395 1.114 30 10 HDEE Cn1nc(CNS(=O)(=O)CC(C)(C)C#N)c(I)c1Cl 2117759129 SOKOXWHHCFZBBD-UHFFFAOYSA-N 416.672 1.647 30 10 HDEE N#CC1CCN(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 2118168814 UQBYCKYHQJJSBQ-SFHVURJKSA-N 422.507 1.094 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C)C(=O)OC(C)(C)C 2247822936 KIHFHQVBPPLVDR-UHFFFAOYSA-N 422.335 1.799 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247917952 MRCAMMRZUTVHJQ-ZIAGYGMSSA-N 420.319 1.598 30 10 HDEE N#Cc1ccsc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249427534 HVVQJXXXXUZGHC-ZDUSSCGKSA-N 409.445 1.741 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3[C@@H]4CNC[C@@H]34)cc2Cl)OC1(C)C 2267702494 HRAKIDKLEHHESO-RKDXNWHRSA-N 404.750 1.197 30 10 HDEE CS[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707594 UEIITEDSEDPXRO-JQWIXIFHSA-N 404.388 1.756 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277729175 XFPGPKOYSLYPNG-SECBINFHSA-N 423.271 1.734 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(C)CCS(=O)(=O)C(C)(C)C)C1 2281270963 RGEDFPKSVWXOKB-UHFFFAOYSA-N 400.541 1.965 30 10 HDEE C[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCS1(=O)=O 2281947242 ZZVFAGZJGUDIMY-JTQLQIEISA-N 419.761 1.960 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282053552 IWCWKFBDDMBHQL-NSHDSACASA-N 402.347 1.057 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)C[C@]3(C)CO)c2Cl)OC1(C)C 2282056644 VOWNOZGJRHSCBM-BMLIUANNSA-N 401.721 1.659 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNC(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282318352 DTLVZLVRWCODDH-LBPRGKRZSA-N 400.375 1.775 30 10 HDEE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282328683 BAWZHRUKLJYDRJ-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE Cc1nnc(CCNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)s1 2282332487 BPQDIPZVGDIRDF-UHFFFAOYSA-N 415.371 1.728 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC[C@H]2CN)OC1(C)C 2282340595 HYDCYYOVGXQFNS-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282498947 LMXUKJMQVGGRJR-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@H](N)C2)OC1(C)C 2282506897 YZVBFLIJSKVZMX-KBPBESRZSA-N 400.375 1.737 30 10 HDEE CC[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282508154 RWBBNFPBUCZBCL-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCS1(=O)=O 2282603547 IEOQASBZGYXVJG-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)C[C@H](C)N 2282832062 IWTDEVXNJZZBCM-UXMMLNGASA-N 422.403 1.489 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2282835600 XDIVHRQLMFRVFD-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC1(C)NCC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850372 ODXHKBIMKOAZST-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE COC[C@](C)(CCO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852956 WSMXSZRSQJQZCN-INIZCTEOSA-N 405.347 1.113 30 10 HDEE CCN1CC(CN(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282857095 CORHKECZENIXMJ-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CO[C@@H]1COC[C@@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858865 DLIBDDYIDDOOCT-QWHCGFSZSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(C(N)=O)CCCC2)OC1(C)C 2282869579 FCVGJJQVDUMBGU-UHFFFAOYSA-N 400.331 1.124 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284393488 LMWQCLYNDDQMPX-PWSUYJOCSA-N 401.677 1.391 30 10 HDEE O=C(C=Cc1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCN(c2ncccn2)CC1 2323208258 ZBGLQZKEGTWFQH-UHFFFAOYSA-N 401.810 1.969 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2327904408 URDDGUYFLXHVMT-ZDUSSCGKSA-N 419.507 1.770 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365175897 LHJYJJHYQWVCOJ-XLPNERPQSA-N 401.525 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365196185 JTBUYNBUSZKWMD-AUUYWEPGSA-N 402.557 1.681 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2365198855 JHDCDRSBESQUAU-HRCADAONSA-N 402.557 1.816 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365214097 ZQOUQEFUGHRSCF-OWCLPIDISA-N 404.573 1.703 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC 2367791485 YNZCXDDZTVZQBD-OAGGEKHMSA-N 400.541 1.427 30 10 HDEE CC(C)(C[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O)NC(=O)OC(C)(C)C 2367792098 LKKYMGAMLICYBB-CYBMUJFWSA-N 403.497 1.730 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367821017 IJXATHYYTROAEC-KFWWJZLASA-N 400.541 1.148 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372916897 MVALNXZDOVSOAC-KBXCAEBGSA-N 404.529 1.762 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OC)cc1OC 10063375 YAWXQYZFJMGYEJ-UHFFFAOYSA-N 420.491 1.426 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2nc3ccc(F)cc3s2)CC1 27900599 KWLZIHWKLWXRQA-CYBMUJFWSA-N 405.499 1.682 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CC2)c1 43483802 FSMVEUFPBRMSDZ-GOSISDBHSA-N 407.499 1.817 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2)CC1 53530332 GDLWSQPDOSMHFE-UHFFFAOYSA-N 414.487 1.653 30 10 HDEE C#CCN(CC(=O)O)S(=O)(=O)c1ccc(Br)cc1Br 98032034 OEHVLNPOEYNHHH-UHFFFAOYSA-N 411.071 1.920 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccn2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102559001 XRXOCKPTTVOCLB-FXBHHXAOSA-N 413.386 1.420 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c(C)n1 102753758 MFPRPHKWIPSGBG-HQMFNGAOSA-N 423.473 1.242 30 10 HDEE C#CCN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 111046635 KXUKZNVETLPWKH-INIZCTEOSA-N 420.922 1.646 30 10 HDEE C[C@H](/C(N)=N/O)N1CCN(C(=O)c2csc(I)c2)CC1 124458420 PHXPCQFWMUYTOM-MRVPVSSYSA-N 408.265 1.245 30 10 HDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409824857 QOZZBOKIODGRPA-SUMWQHHRSA-N 416.869 1.423 30 10 HDEE COC1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 429318689 OMGSCJRRJCQCGX-UHFFFAOYSA-N 420.535 1.779 30 10 HDEE CN(C)c1ncn(-c2cccc(NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2)n1 441800129 VFUWPVXCNWVTTH-UHFFFAOYSA-N 417.477 1.954 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O 442278386 UAOOUAZIKGXMNA-UKRRQHHQSA-N 404.492 1.119 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)CC1 447704655 RYADHNVDWOPCOE-OAQYLSRUSA-N 409.446 1.761 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)ccc1F 460918345 SJEDGOVWVQCFAL-UHFFFAOYSA-N 409.464 1.716 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cn1 462097182 OEYBUFVBHWEYKS-HNNXBMFYSA-N 407.409 1.744 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1COc2ccccc2O1 474590811 AKHXVHBWTMYTFV-HIFRSBDPSA-N 401.444 1.181 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 486017419 PHSJJRTUXFLPGZ-GFCCVEGCSA-N 408.457 1.960 30 10 HDEE CNC(=O)CCOC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 494982177 WNGGXKOSNRYBNT-UHFFFAOYSA-N 410.478 1.300 30 10 HDEE N#CCCCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 505041114 JJJXPYQNYIZYQG-UHFFFAOYSA-N 416.297 1.612 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508481376 QEVMRZUIELSSOA-MOPGFXCFSA-N 404.559 1.199 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCCCCC#N)CC3)C2=O)n(C)n1 508501475 CKLOWFKFHLNTNX-QGZVFWFLSA-N 401.515 1.245 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508887372 IGRQUTWHBMOYJC-UHFFFAOYSA-N 402.462 1.423 30 10 HDEE COc1ccc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 513786254 CLXXRBYICDBNMA-UHFFFAOYSA-N 413.499 1.799 30 10 HDEE Cc1ccc(F)cc1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 514155575 ISCHXGGYEWSNSX-UHFFFAOYSA-N 415.446 1.722 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cc1 514523257 CZPJKJZAEAKFQI-UHFFFAOYSA-N 406.463 1.850 30 10 HDEE COC[C@@H](NC(=O)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1)c1ccccc1 518231538 IKUSEANINULQFZ-OAQYLSRUSA-N 408.502 1.952 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CCN3CCOCC3)cc21 526895792 HVSPEFHZNBODIA-WQIZZMQYSA-N 406.504 1.250 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(N)c3c4c(sc3n2)C[C@H](C)CC4)CC1 540067551 HEXPJDMCDOQASA-CQSZACIVSA-N 414.579 1.818 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)NCCCOCC)CC1 549290034 GOVHXOUYAVWPRX-GOSISDBHSA-N 421.542 1.701 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCO1 549911863 UOLQSAMIGZCHIC-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](c3cnn(C)c3)C3(CO)CCC3)CC2)o1 560659028 OGBCHKWHYNRKMF-GOSISDBHSA-N 412.494 1.825 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC(OCCCOc3ccccc3)C2)nc1 565268606 GFAFKXXYEPIJDT-UHFFFAOYSA-N 401.488 1.897 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)cc1Br 582463937 GXGJOXXUSBSYDV-TVQRCGJNSA-N 403.254 1.479 30 10 HDEE CCOC(=O)c1c(NC(=O)c2ccc(C#N)nc2)sc2c1CCS(=O)(=O)C2 609641223 CKJSXAVYCFQGIQ-UHFFFAOYSA-N 405.457 1.915 30 10 HDEE N#CC(C(=O)c1ccc2c(c1)OCO2)=c1sc(=Cc2ccoc2)c(=O)n1C1CC1 727416606 UYNAOAYWUJHDAY-UHFFFAOYSA-N 406.419 1.952 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)c2ccc(-n3cnnn3)cc2Cl)cc1Cl 730404166 RPPOGMQMAIBPPN-UHFFFAOYSA-N 423.241 1.959 30 10 HDEE NS(=O)(=O)c1cccc(NC(=O)C[C@H]2S/C(=N/C3CCCCC3)NC2=O)c1 743277930 WPYPVDUXOXRPBD-CQSZACIVSA-N 410.521 1.583 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ccn(-c2ccc(F)cc2)n1 744496099 WMBGKQGJBDKBFU-UHFFFAOYSA-N 414.418 1.793 30 10 HDEE C=C(C)[C@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 756015024 QLDPFRZCDOUJAS-HNNXBMFYSA-N 412.483 1.947 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](N3CC(=O)Nc4ccccc43)C2)c1 759896015 WBAMESHJWZTLPR-QGZVFWFLSA-N 410.499 1.865 30 10 HDEE N#Cc1ccc2ncc(CNC[C@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)n2c1 767157667 VJJOBAISXNAWNX-FPOVZHCZSA-N 400.486 1.894 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)n(CCC#N)n2)C1=O 767933515 LZKWQXRBARPCCO-OAQYLSRUSA-N 424.461 1.828 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2ncn(C)n2)C1=O 768422494 SXGNPTXGBLRKAA-HNNXBMFYSA-N 415.523 1.015 30 10 HDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)cc1 769104671 JCZGKUAIKAGPDU-NFICGAQRSA-N 416.865 1.645 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C)cc1 779319313 ZCXNXNQUQHVSMQ-FUHWJXTLSA-N 419.503 1.745 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 780206537 QYZUZADUOFZHDN-NRFANRHFSA-N 408.454 1.999 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(C)cc2)s1)[C@H]1CCS(=O)(=O)C1 780302109 FCAGIBYQBPYQEX-HNNXBMFYSA-N 404.517 1.721 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 780895384 ZQMWGLLPVFKGBO-JOCHJYFZSA-N 402.454 1.986 30 10 HDEE C=CCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)cc2OC)c1=O 781647896 ATCWBSMUBRQNAB-UHFFFAOYSA-N 402.273 1.894 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2CS(C)(=O)=O)n1 788589192 QBUGYWASEUNHJY-UHFFFAOYSA-N 404.492 1.741 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 792657622 DZFNVMMQQDRJCI-OVKVCFKUSA-N 403.442 1.243 30 10 HDEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)OC(=O)[C@H](C)n1cnc(C#N)n1 798745167 PSNMJTQAGJBTJW-UONOGXRCSA-N 412.450 1.302 30 10 HDEE C[C@@H](C(=O)O[C@H](C)C(=O)Nc1c(F)c(F)c(F)c(F)c1F)n1cnc(C#N)n1 798748046 RJPVSCKLTQCLGK-NTSWFWBYSA-N 403.267 1.977 30 10 HDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 800786585 HYAUKXNXLTYHQR-UHFFFAOYSA-N 402.930 1.919 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(C(N)=O)CC1 802599815 HIAHMRWCJDQDSH-UHFFFAOYSA-N 412.494 1.982 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 802625187 DHIQNXBTBVFXTA-VKJFTORMSA-N 401.463 1.600 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)[C@H](C)Oc3ccccc3C#N)C2=O)c1 813547415 QAIXLZGKULVCGO-YEJXKQKISA-N 408.414 1.833 30 10 HDEE CCc1noc(C[C@]2(O)CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 856676878 LIBGIBHPFNRHAS-AUUYWEPGSA-N 401.492 1.740 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1127702593 CUXMWZFDSBSSLN-OAHLLOKOSA-N 417.514 1.568 30 10 HDEE C=C(Br)CNC(=O)Cn1nc(Br)c(Br)n1 1136479885 WUGYMDPAWDQQRV-UHFFFAOYSA-N 402.872 1.828 30 10 HDEE C=CCOC[C@H](NC(=O)CCc1c(C)nc(-c2cccnc2)nc1O)C(=O)OC 1139175536 HMMYKNSMLRZBLA-INIZCTEOSA-N 400.435 1.346 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1cc(C#N)[nH]c1C)c1ccc(S(C)(=O)=O)cc1 1139288877 YLPASZMFGFJCTA-IBGZPJMESA-N 403.460 1.807 30 10 HDEE C#CCSCC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1142692553 AIJDGMSHEDYIDU-UHFFFAOYSA-N 410.517 1.047 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1146622803 VCEXJKCHBXGCAI-UHFFFAOYSA-N 409.468 1.245 30 10 HDEE C#CCN(C(=O)c1cn(C(F)(F)CO)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367490 QREAZYLLVAIMND-UHFFFAOYSA-N 413.425 1.295 30 10 HDEE N#CCCn1cc(C(=O)NCCN2CCC(O)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1158274115 QWHIPQFUAXKBCA-UHFFFAOYSA-N 412.450 1.558 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(OC)(c3nccn3C)CC2)cc1 1176846530 MKTKWQWKTNHBDI-UHFFFAOYSA-N 416.503 1.110 30 10 HDEE CCOC(=O)[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ccc(C#N)n1C 1177635081 XUBUDKHZSCMCRM-OAHLLOKOSA-N 404.467 1.815 30 10 HDEE N#C[C@]12CN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)C[C@H]1CS(=O)(=O)C2 1187782723 KIBROYQZUGNUPB-BLLLJJGKSA-N 409.393 1.932 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(Cl)cc2)c1=O 1189869279 SYVKEUPVUIWTSO-UHFFFAOYSA-N 403.822 1.760 30 10 HDEE CS(C)(=O)=NS(=O)(=O)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 1194349098 YQFAFXXSLURYJF-UHFFFAOYSA-N 423.482 1.647 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)cn1 1212445372 LMYQDLKAVVBWIB-UHFFFAOYSA-N 412.265 1.529 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1213278604 FNWAASCRVYSHGA-QKVFXAPYSA-N 409.327 1.779 30 10 HDEE COC(=O)CNC(=O)CNC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1217730076 BBBTYIUHSXZELV-UHFFFAOYSA-N 412.450 1.452 30 10 HDEE CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC1 1251174467 KWSBIEVGVGJGDJ-ICSRJNTNSA-N 416.547 1.621 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1252563859 ZNAFHKCMXFVRCP-UHFFFAOYSA-N 401.434 1.232 30 10 HDEE C#CCN(C(=O)N[C@@H](Cc1ccccc1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 1252584525 JSYVZVBICBIEQU-ROUUACIJSA-N 400.504 1.536 30 10 HDEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)c1 1274999383 BUPXLVMFSSPYPQ-AWEZNQCLSA-N 420.425 1.914 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1279748700 XKRAHXSHONZUFP-UHFFFAOYSA-N 415.490 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1286297424 BLYZUVOIRLSOHO-WMZOPIPTSA-N 424.530 1.872 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1286398768 OSBJDNXSJRIDNO-UHFFFAOYSA-N 410.522 1.426 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C)c1 1286419956 IVABKZVEUJFCTD-SFHVURJKSA-N 413.547 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCOC1 1286434437 KLPRNNFZCVOOQT-QFIPXVFZSA-N 410.474 1.480 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CC1CCN(CCN(C)C)CC1 1286448064 WTGIYXLNIFUBIV-UHFFFAOYSA-N 409.582 1.997 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2nc(C)no2)CC1 1286478780 FZXCZNAICLFUBK-UHFFFAOYSA-N 406.494 1.728 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286504203 NXMJKAZVZHHJFG-HNNXBMFYSA-N 400.508 1.983 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CCOC 1286552747 ATUSAXJOZWNTSS-BQFCYCMXSA-N 402.499 1.577 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O 1286562808 TUSHYVBTCQYUCE-HOCLYGCPSA-N 408.528 1.240 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286690849 WVVDNGYBAIRGQJ-QGZVFWFLSA-N 417.558 1.125 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CCCOC2)C1 1286824764 IIRDMBRLARMIOY-VQIMIIECSA-N 410.540 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OCC)CCOC1 1286825552 SMUAMLYYOGAUHM-IBGZPJMESA-N 423.539 1.271 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)C1 1288976744 DFLWLLWRLWVTAF-GQIGUUNPSA-N 402.499 1.555 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 1293033128 SZSIUZVKHGJKCB-RJCBAWPRSA-N 402.882 1.947 30 10 HDEE CN(C[C@@H](O)c1cccc(Br)c1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1299320510 AOGYZRJMZAAHLJ-ZDBRSUKYSA-N 422.279 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1300275619 XDGGFZLZIOEQQB-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCNS(C)(=O)=O 1300292419 YNJCVRIICWFABF-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC(=O)NCC(F)F)c1 1300333974 HCHHVQFBPPRDMO-UHFFFAOYSA-N 404.421 1.278 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1300348807 QGQONSVNTIKFDS-UHFFFAOYSA-N 406.494 1.933 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C(C)C 1300460210 ONSOINIETUGGTC-LJQANCHMSA-N 404.540 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1300587692 SYJVLRGKFROQKE-UHFFFAOYSA-N 421.592 1.072 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 1300671823 QMBMLDDOAXQMSM-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccccn2)CC1 1300719859 SURDCOOIYHJYAN-UHFFFAOYSA-N 416.489 1.339 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCN(C)C1 1300807718 NMYWBQGYMFHHLZ-WOJBJXKFSA-N 400.552 1.693 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300848024 ACRPRKLJWPULIF-QWHCGFSZSA-N 419.345 1.704 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301002124 UNWKABGILJESCL-QZTJIDSGSA-N 402.499 1.824 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301059139 PMTCXWRKJPSOLW-OAHLLOKOSA-N 410.906 1.456 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C)CC1 1301249428 UREOKFBTILPYBW-UHFFFAOYSA-N 421.509 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1301554189 YQZSOVWOHOBSNG-HZPDHXFCSA-N 420.539 1.336 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301586924 VTOYSZNOBSKNGG-OAHLLOKOSA-N 416.569 1.160 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301951493 AEJNGRCLTKAXIN-JXXFODFXSA-N 404.515 1.740 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(C(F)(F)F)cc2)CC1 1302924327 KOBWUJBVHBJVCB-UHFFFAOYSA-N 417.453 1.595 30 10 HDEE Cc1ccc([C@H](NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c2cccs2)cc1 1307371281 AZJUKKUBIOWLIM-IBGZPJMESA-N 424.482 1.150 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 1308914609 OIAJMYRSYHACIL-IRXDYDNUSA-N 414.572 1.107 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C1CCOCC1 1309704108 XOAQRINKVZSHIF-CQSZACIVSA-N 416.293 1.942 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CC(O)(c2ncnn2C)C1 1310863411 KORNXSKRIZGYPQ-UHFFFAOYSA-N 408.256 1.878 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC1 1313036908 XQHHTCIGCPJSLI-UHFFFAOYSA-N 412.487 1.358 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1314656852 PFWLFUILIJFCCN-VQIMIIECSA-N 406.506 1.725 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)[C@H]1C 1315066588 CEYSGSPSRPBKRT-CQSZACIVSA-N 418.523 1.370 30 10 HDEE COCCN(C)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1316072920 FRITTYSBMPVJDV-UHFFFAOYSA-N 424.553 1.402 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CC1=O 1316115327 HBKYEBYNMABXMC-BRWVUGGUSA-N 404.515 1.263 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)[C@H](C#N)C1 1355540196 HRQAQMKCULXEAS-CYBMUJFWSA-N 409.468 1.038 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C\c2ccc(C(=O)OC)o2)c1 1357767447 UCXOWVHAWBECSK-NTMALXAHSA-N 422.437 1.953 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358935204 ARSQBGXORHXSAU-SFHVURJKSA-N 402.543 1.361 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1358960455 FDAQMIZFFYFLNV-SFHVURJKSA-N 415.519 1.560 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H](O)C1 1358974289 YAZJBNAPGVREGN-PXNSSMCTSA-N 416.489 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1358987484 IICXLYLRRNZQMY-HSZRJFAPSA-N 421.501 1.904 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1359013028 IIKVQZPSWGUXIO-UHFFFAOYSA-N 422.533 1.745 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359057417 YZFGWGBIRYHTQS-HNNXBMFYSA-N 417.514 1.404 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359121443 PNBVAFHWEZKIJE-CABCVRRESA-N 400.487 1.628 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1359240142 GXTIHFPNBQUTEE-CQSZACIVSA-N 406.508 1.868 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCCC2)CCOC1 1360339172 RROOJJRFGAZSRR-PMACEKPBSA-N 406.506 1.856 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1438202941 JTFOBZUCNSTTEE-PJSUUKDQSA-N 411.499 1.515 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C(=O)OCC)C(=O)OCC 1441030595 JRGWGBLTAJNQJQ-NSHDSACASA-N 406.863 1.633 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1451865125 UQYAALHSNLKYQT-UHFFFAOYSA-N 400.416 1.724 30 10 HDEE COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 1454980752 AYUYFJRFIWVQLP-UHFFFAOYSA-N 416.459 1.832 30 10 HDEE Cc1cc(C#N)cc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)n1 1460428168 OEVUAXYHORQUGA-AUUYWEPGSA-N 420.491 1.482 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)F)cc2F)CC1 1466346057 SCEPEXSQFGECAE-UHFFFAOYSA-N 406.386 1.044 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C(C)C 1470397769 KDHKNYWTGCRXLK-MSOLQXFVSA-N 400.527 1.209 30 10 HDEE Cc1ccc2c(c1Br)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1470450336 PSZUJQDHCDBBNY-UHFFFAOYSA-N 403.236 1.824 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)c2)CC1 1471051974 XVOBTJBBLXWOQR-PKOBYXMFSA-N 418.519 1.304 30 10 HDEE Cc1nc(SCC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)c(C#N)c(C)c1C 1472408817 DOLVJFTYMFVAGY-OXJNMPFZSA-N 404.536 1.313 30 10 HDEE C#CC1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1475427239 SEPCULZIKHSFPP-OALUTQOASA-N 406.504 1.697 30 10 HDEE N#C[C@@]12CN(C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1478520094 NMFUFYQNKADEJE-PXNSSMCTSA-N 408.568 1.612 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1478878921 VRBXMORDVGTZEX-UHFFFAOYSA-N 417.491 1.574 30 10 HDEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1502927985 GDPPRILEIQDUAY-UHFFFAOYSA-N 417.473 1.937 30 10 HDEE CN1CCN(c2nnc(COc3ccccc3F)n2Cc2ccc(C#N)o2)CC1=O 1503684850 JTJXATVHRFPCBQ-UHFFFAOYSA-N 410.409 1.788 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1505046291 AXQYHTVZZHXPBZ-QZTJIDSGSA-N 410.478 1.195 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1OC 1505114231 JNHISBOMCSCLLG-LLGFUMIMSA-N 410.478 1.145 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCOCCCO)CCO1 1505321298 MUZDVOWSGKMLPI-QGZVFWFLSA-N 423.477 1.463 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507637877 NDPHJPDZEYAVPC-TXTZMMAHSA-N 422.551 1.285 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1507848622 MATLHIGAZLFRID-JXFKEZNVSA-N 421.498 1.164 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1507867705 AYHYZSWJLSWKRS-AWEZNQCLSA-N 415.903 1.593 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1507984384 VNLUUNUUJKPDCL-KRWDZBQOSA-N 401.515 1.736 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1508058704 DOOULHUYRLEZBI-AWEZNQCLSA-N 408.553 1.145 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)C(=O)C1 1508084406 NVUMCNPBUSUCAU-UHFFFAOYSA-N 416.551 1.537 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCC2)CCO1 1521122014 RPFHIVNWZOSNCQ-QGZVFWFLSA-N 402.499 1.592 30 10 HDEE N#Cc1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c1Br 1525187422 MFRDQDBXZQUYKM-GVARAGBVSA-N 414.259 1.858 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nc(C(F)(F)F)no1 1529357333 QQOAZOUTSNOZPQ-VIFPVBQESA-N 417.369 1.771 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(C(F)(F)F)cn2)cc1 1533626085 ROQHVPTWZATRFH-UHFFFAOYSA-N 413.381 1.617 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)CC2)C1 1538886867 FPPRGZJMCDZHOZ-HNNXBMFYSA-N 410.517 1.766 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539112036 GOXYGLOSAAXULK-KRWDZBQOSA-N 420.539 1.122 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1539199732 SOPUNEFSPSPYNE-FZMZJTMJSA-N 412.227 1.329 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539226250 WGPXZMZHYGLACX-QGZVFWFLSA-N 406.552 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2OC)CC1 1539466759 FWTKBEGKMYPNRI-UHFFFAOYSA-N 410.522 1.993 30 10 HDEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861292 KHWRVGVNJGDBQV-UWJYYQICSA-N 419.526 1.332 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1540865081 UVZSVMPLNKAREM-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC3(CCCC3)C2)nnc1[C@@]1(OCC)CCOC1 1540875881 AOZCISZOISXBBC-OAQYLSRUSA-N 419.526 1.382 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540897413 IKZWAMVLECKHHD-HZPDHXFCSA-N 423.583 1.887 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccncc2Cl)n1 1543067001 MEGRUSSTVDOMAG-MRXNPFEDSA-N 412.885 1.965 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC4(CC3)NC(=O)N(C)C4=O)n[nH]2)c1C 1544283833 QPHBWLMXMWUOCF-UHFFFAOYSA-N 411.466 1.232 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1545123942 XSZDBOYIUZRKHN-GOEBONIOSA-N 417.901 1.443 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)OC 1555252248 XLFGQLQLDGWZGD-YESZJQIVSA-N 413.434 1.592 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1555990202 ADIPFHLPKLNJCV-RBUKOAKNSA-N 413.478 1.495 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)cc1 1556430636 GPEWTLDPFIYSJY-GUDVDZBRSA-N 405.520 1.769 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC(=O)c1cncc(Br)c1 1557913850 QKBIASWNXJMPDU-FOCLMDBBSA-N 407.224 1.060 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1558421276 AABYELSUUTWDME-UHFFFAOYSA-N 424.519 1.259 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1558423836 ZXEVQWSXTQGWMZ-LJQANCHMSA-N 401.532 1.814 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CCCN1C(=O)OC(C)(C)C 1558701691 COJXHHOSLAAONX-NPPFBWRTSA-N 405.539 1.837 30 10 HDEE C#CC1(O)CCN(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 1560026770 GEAWRBYBLHNIQZ-IAGOWNOFSA-N 403.498 1.516 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C 1560164971 WIAHOUZTIQAXCH-IAGOWNOFSA-N 407.536 1.767 30 10 HDEE C=CCOCCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1565082752 YTRQOWUDJLTDTH-GOSISDBHSA-N 418.542 1.144 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cn2c3c(c4cc(OC)ccc42)CCCC3)CC1 1568701742 VWDPPVSMXOPJKX-UHFFFAOYSA-N 422.529 1.422 30 10 HDEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1584489709 GXNRGMLIQLTAED-OAHLLOKOSA-N 412.439 1.306 30 10 HDEE N#C[C@]12CN(C(=O)c3cnn4cccc(Br)c34)C[C@H]1CS(=O)(=O)C2 1585660396 LXDHXJCHUSMLCE-ZUZCIYMTSA-N 409.265 1.107 30 10 HDEE C=CC[S@@](=O)(=NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 1586027958 UQTHJKBLRBTCRU-SUMNFNSASA-N 423.516 1.392 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CCN1C1CC1 1587316780 CZLNBSZRJLDLLU-ZDUSSCGKSA-N 402.252 1.722 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)Cc3ccc(S(N)(=O)=O)s3)cn2)cc1 1587769846 NGOLHNZGTQKDEX-UHFFFAOYSA-N 401.473 1.693 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587831941 WVAWSJKZNRQAPD-INIZCTEOSA-N 417.535 1.837 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588055377 VTLCQCFMFGJIEF-MSOLQXFVSA-N 422.551 1.739 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588074349 MAIIYFKFHOHYSP-XWTMOSNGSA-N 422.551 1.571 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 1588766061 QJLSWSVMKTYBKY-MRXNPFEDSA-N 410.561 1.834 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H]1OC 1589151341 XNZUAXMUGLHUPL-WFXMFSGNSA-N 409.556 1.696 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1593624857 BEKWLPFKPDWFMJ-OAHLLOKOSA-N 410.544 1.056 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594511055 JUOJEQAQDPPNPN-QGZVFWFLSA-N 423.521 1.013 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1594895845 PIRASDVXACUFPG-UHFFFAOYSA-N 405.524 1.854 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@@H]1CCOC1 1595530255 YICOQEBXNWRBHS-KRWDZBQOSA-N 421.505 1.906 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1595593518 FOXDGYZUBGUYEB-OAQYLSRUSA-N 415.469 1.915 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N(C)C)C1 1595723071 QPGHJZQAZMWWDI-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cnn(C)c1C 1595831781 WCUNNMWDLMACLE-MRXNPFEDSA-N 408.528 1.409 30 10 HDEE COC(=O)C1(CCCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCC1 1603228922 OTOLGPPCRQXDRQ-OAHLLOKOSA-N 421.519 1.855 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1607586888 XYDDPROEOOCJKN-BBRMVZONSA-N 401.410 1.938 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)cs1 1612399137 WPWIXNOMDLFIEN-LJQANCHMSA-N 401.540 1.440 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1617631653 BYMXMOORXNZAPN-RBUKOAKNSA-N 412.542 1.918 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)C1=O 1618458956 PLJUPPPDCCJOQM-YJYMSZOUSA-N 400.870 1.806 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(O)(COCCO)CC2)c1 1620594514 SROLQQRWSBIVOL-IBGZPJMESA-N 403.523 1.774 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1620652507 QYSVVBVBEDCLRX-OAHLLOKOSA-N 411.474 1.285 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 1623669891 XHLZYPOGEMWLJQ-HRAATJIYSA-N 415.494 1.362 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cc(N)c2N)CC1 1624728032 NIGOWMGFLZUJQL-UHFFFAOYSA-N 401.268 1.843 30 10 HDEE Cn1cc(C(=O)N2CCN(c3cnccc3C#N)CC2)c(I)n1 1625327358 OQANIAMIJBUXNS-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE NC(=O)Cn1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1627107364 BWDROOUOCQJUGV-WDSKDSINSA-N 421.248 1.006 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H]2C[C@H]1C[S@@]2=O 1628318371 LGRPMPKIQKEYCR-CTRJTCCGSA-N 413.293 1.830 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1628681054 SXSDEQSPYWJPAO-MAUKXSAKSA-N 401.381 1.601 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1629185494 LUVMOKSGPMZHGM-CQSZACIVSA-N 411.890 1.631 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1629296680 JJQNHZBDFKGRSC-OAHLLOKOSA-N 417.466 1.945 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(C(=O)C(OC)OC)CC2)cc(OC)c1OC 1630469273 QIDVOVWBIPSNNQ-UHFFFAOYSA-N 421.494 1.405 30 10 HDEE COC(=O)N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1632161475 CMKBOMFYFBPYJE-UONOGXRCSA-N 404.854 1.912 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2ccccc2OC(C)C)CC1 1632624213 PNFUNBJKSBJRTA-UHFFFAOYSA-N 407.461 1.849 30 10 HDEE C=CC1(CC(=O)N2CCN(c3cnc(O)nc3N)CC2)CN(C(=O)OC(C)(C)C)C1 1633109396 HFKKPSAHEFCQPB-UHFFFAOYSA-N 418.498 1.226 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1634492847 VWOPBKPSNGRTEQ-INIZCTEOSA-N 409.464 1.287 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OC 1634885879 ZKZIPUGXZLCJSI-KSFYIVLOSA-N 413.474 2.000 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1 1634909263 VRQDNVUVCKMPJE-KRWDZBQOSA-N 405.451 1.351 30 10 HDEE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N1CCN(C(=O)CC#N)CC1 1635737142 GWOXVZMHMIPXBK-OAHLLOKOSA-N 423.560 1.935 30 10 HDEE N#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 1635905566 CZBJYROQFAYSHA-UHFFFAOYSA-N 410.927 1.796 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 1637077439 WPSFVTHNFGNHOS-RDJZCZTQSA-N 402.451 1.232 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 1637344732 GRHMFKDMNOELNF-DLBZAZTESA-N 401.825 1.944 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cncc3nc(C(F)(F)F)n(C)c23)c1C#N 1638116322 AQCDUNVABDYZRE-UHFFFAOYSA-N 406.372 1.986 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(C(F)(F)F)nc1 1638148878 OVCCGYSWJKEMGG-SECBINFHSA-N 408.340 1.562 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CCNC(C)=O)C2)s1 1638336593 QNKUSXNJBZBKEF-OAHLLOKOSA-N 413.565 1.520 30 10 HDEE C#CC[C@H](NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21)C(=O)OC 1638832231 MIQJSUOOTODWOL-HNNXBMFYSA-N 414.462 1.742 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1639092707 QUXAIKOOVZVECR-MRXNPFEDSA-N 404.448 1.042 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(Cc3ccnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1640704168 KNZGJAZIOGMNNH-JOCHJYFZSA-N 415.538 1.857 30 10 HDEE N#Cc1cnccc1SCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 1641268739 HIQHUCBUTFPZBU-UHFFFAOYSA-N 413.478 1.967 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc([C@@H]4CCOC4)n[nH]3)ccc2c1=O 1641745464 SMBVGZVEAOAHAQ-GFCCVEGCSA-N 412.475 1.423 30 10 HDEE Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)cc1S(=O)(=O)NCC#N 1642318892 WKYSZOPDHOYZJX-SFHVURJKSA-N 424.486 1.777 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 1643878231 QKGAPWDXESRIBP-VBKZILBWSA-N 400.410 1.444 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](O)c2ccc(Cl)c(Cl)c2)C1=O 1646247091 NQPVRKKJWKTGMF-GFCCVEGCSA-N 400.218 1.120 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N=[S@@](C)(=O)c2ccc(N(C)C)cc2)cc1 1648615214 PXLIBXIBOXDYPL-MHZLTWQESA-N 419.528 1.961 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1cnc(I)nc1 1651644080 ACWWVJQKZHKWPL-SNVBAGLBSA-N 407.219 1.458 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)C1 1651805195 CSWDOJYUMMGAAI-QGZVFWFLSA-N 402.454 1.919 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCn3c(=O)nc(O)c4ccccc43)CCO2)cc1 1652920010 UGSFZZYJVFMTRO-LJQANCHMSA-N 404.426 1.964 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1C#N 1654181612 HIKJOCSRAFRHPM-BJJXKVORSA-N 402.499 1.875 30 10 HDEE C#CC[C@@H]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1654762665 SDNYKMGYCPRFOV-LLVKDONJSA-N 403.460 1.332 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)OC)cc2Br)nn1 1655732401 LTCZQZXMCBVXKH-UHFFFAOYSA-N 415.269 1.492 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(I)s2)cn1 1655958643 PNRNODKNZBORJR-UHFFFAOYSA-N 407.258 1.661 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1658187635 AFVJMZVUMJHMKW-MRXNPFEDSA-N 421.519 1.983 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(C(=O)OC)co2)cc1 1667956903 TVINIUYCXCTKKZ-UHFFFAOYSA-N 408.436 1.589 30 10 HDEE CCN1C[C@@H](CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1674195845 BFBQBXNGDCFDBO-QGZVFWFLSA-N 421.505 1.648 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(Cl)s1 1679279659 UKGBWFJPWVXBME-LBPRGKRZSA-N 405.929 1.552 30 10 HDEE CCN(OC)C(=O)CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1682253159 UGPDCPXXNKOCMN-UHFFFAOYSA-N 417.445 1.107 30 10 HDEE C=CCn1cc(CNC(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)nn1 1683482808 BJJZZNKKUYBQJW-OAHLLOKOSA-N 418.523 1.592 30 10 HDEE C=CCn1cc(CNC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1683483290 SISOFXQIGCDOOW-QGZVFWFLSA-N 419.530 1.301 30 10 HDEE Cn1ccnc1C(NC(=O)N1CCN(c2ncccc2C#N)CC1)c1nccn1C 1684130503 HNRLIPGDVGAZBA-UHFFFAOYSA-N 405.466 1.041 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1689924875 XILIXOJFHXKZFP-SFHVURJKSA-N 422.537 1.281 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)C1CC1 1689950878 FFSUZJJLKMQJJE-HXUWFJFHSA-N 417.535 1.426 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCCNC(=O)c1cccc(O)c1 1689968743 DXVJKKCUGJFUKL-UHFFFAOYSA-N 404.474 1.859 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1690028130 LJKGQSSZWWXVSY-UHFFFAOYSA-N 416.478 1.646 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1690246601 WBLKRCZXUTZWAP-LNLFQRSKSA-N 416.526 1.269 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690488703 SGTDFSQYODYZIE-QGZVFWFLSA-N 409.494 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC2)nnc1[C@@]1(OC(C)C)CCOC1 1690732121 WKRWSPXMNHOXRA-LJQANCHMSA-N 412.556 1.908 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccc(C#N)o1 1692881657 WVQSVNRMMIKBHW-CHWSQXEVSA-N 422.511 1.405 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1693178381 MSLGWMSEEDBPFO-ZJYNUGOYSA-N 420.477 1.913 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)C1 1693709485 DTKXRAINDJLHBB-OAHLLOKOSA-N 402.524 1.991 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)cn1 1696854163 GTDXPWGHMXAFNT-GOSISDBHSA-N 407.478 1.683 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1698149962 NHXVCOGTZIZPOO-YSGRDPCXSA-N 404.515 1.610 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705552122 IMEIGLAYKWXYHQ-INIZCTEOSA-N 414.514 1.754 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccs1 1705628518 JQKSDWWVNIDPIH-HNNXBMFYSA-N 408.549 1.570 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC[C@@H]2CCCCO2)CC1 1705632520 SOQCTLOXWRYKMW-SFHVURJKSA-N 402.543 1.521 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1cnn(C)c1 1705699101 CHIANSRVENSCEU-SCTDSRPQSA-N 413.526 1.970 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1705752879 JWJHPZQRFJWZSN-KKUMJFAQSA-N 424.933 1.349 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705896919 BRFHRHSFRFCJLV-IERDGZPVSA-N 423.558 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(Nc2cccnn2)CC1 1705930258 JSBWEGNFSDCNRV-UHFFFAOYSA-N 419.555 1.873 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCC(=O)NC 1722323633 GNZYNFCHQKGMMB-UHFFFAOYSA-N 416.913 1.847 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@H]1C 1722382241 KSNBLDNXGJVXHZ-HTAPYJJXSA-N 404.474 1.129 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1722413339 LJLLVZKCCZIDAL-MRXNPFEDSA-N 407.540 1.042 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1722414170 WYGBAKYTXAZHFD-KRWDZBQOSA-N 419.507 1.142 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CC1 1722434530 UPHJYYGLKYQIKP-UHFFFAOYSA-N 401.478 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(CC)CCC)CC1 1722446373 UJJDMOZCQXDHQZ-UHFFFAOYSA-N 424.553 1.433 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1722459446 KHRZRYTVZLMMMP-QAPCUYQASA-N 407.565 1.677 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)C)CC1 1722502972 BRUSBTBMBGDAKC-LMMKCTJWSA-N 402.543 1.741 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722534649 UYBJPPOVUIAIGO-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722617715 LVLRLUJDCLDXSK-MSOLQXFVSA-N 416.570 1.927 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC2(C1)OCCO2 1722679859 OIUMDCOQNIIASK-CVEARBPZSA-N 405.499 1.411 30 10 HDEE CCO[C@]1(c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1728780263 OWHRGRFCOJTVRZ-JLTOFOAXSA-N 414.466 1.110 30 10 HDEE COCc1nc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cs1 1730538328 CKZKXXGUBNQWMO-INIZCTEOSA-N 411.491 1.644 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 1730850828 JYTARTWKFOEXSB-APWZRJJASA-N 407.515 1.674 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1740574954 PDMZKKAWUBPSEK-INIZCTEOSA-N 404.540 1.662 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OCCN(C)C)cc1 1740598252 JQHQOMNPZYAREN-UHFFFAOYSA-N 424.549 1.767 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740610329 XEROPVPOXQEPPA-GJZGRUSLSA-N 401.433 1.505 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1740639279 RYDNZTZMMPARKU-INIZCTEOSA-N 414.510 1.607 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@@H]1C 1740641848 PVLMKIGXTUYWSQ-KRWDZBQOSA-N 413.472 1.941 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCn1c(C)nc2ccccc21 1740641996 QAVRZMUDCPGQLH-UHFFFAOYSA-N 415.501 1.832 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740666839 FOZXILRGVSDOJI-UHFFFAOYSA-N 417.473 1.063 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1740668695 VXQCSXZPCHDXOW-QGZVFWFLSA-N 412.469 1.187 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H](C(C)C)N1CCOCC1 1740684199 YFIDERCLJXFUIP-LJQANCHMSA-N 415.542 1.121 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740787104 AJAIFKSNRIVURW-HOTGVXAUSA-N 404.515 1.857 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740793252 QDCCELRLGSVSIM-GOSISDBHSA-N 403.527 1.966 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC)C1 1740795939 IYJVOEBDHHKQCB-SFHVURJKSA-N 404.515 1.584 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(N(C)C)nc1 1742837315 OPZPBIQYPMLQTL-UHFFFAOYSA-N 403.494 1.689 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1746669480 XFYPDRZUPPXKLG-OXQOHEQNSA-N 402.499 1.339 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1748302843 DHZWORQOYYCCHJ-SFHVURJKSA-N 422.489 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCC1 1748638154 JTSGNKXLAKVQIR-AWEZNQCLSA-N 409.556 1.622 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1748835431 BRMFLYLBKFBSOV-OPAMFIHVSA-N 410.474 1.575 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCO2 1748969231 RBRAPHYZVGLBIV-UHFFFAOYSA-N 411.462 1.264 30 10 HDEE C#CCSCCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749049099 XIFIDKHCUKOAEE-WOJBJXKFSA-N 406.552 1.913 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1749533355 HSTFLNOUIGGGRG-KRWDZBQOSA-N 412.494 1.726 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@H](C)C1 1749659555 GYQZAZHCIWMPKM-OAHLLOKOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCSC[C@H]1C 1749666064 FVODTNGPTCSJJO-GFCCVEGCSA-N 404.496 1.250 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC)C1 1749681053 WDHBOFVFEPMCQF-GOSISDBHSA-N 415.494 1.783 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCC1 1750256054 FCFZTLKORTZJGZ-QWHCGFSZSA-N 400.574 1.770 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)c1 1750381165 KKFLLOCBTLZKCC-PKOBYXMFSA-N 424.505 1.572 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1760179509 HZIFLLHCCXIMGP-HNNXBMFYSA-N 404.492 1.370 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1760272649 QUGCHJHBARSZRZ-UHFFFAOYSA-N 419.551 1.266 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760391037 YDHQUHOYRXGPCF-SFHVURJKSA-N 423.564 1.340 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1760529119 XNXIDRKTTAEYGG-BFYDXBDKSA-N 420.558 1.317 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)nc2)C1 1760545928 FDLUAGKXMXLVAB-SFHVURJKSA-N 419.489 1.587 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760568187 BHHPTOCAMSMKDK-UHFFFAOYSA-N 405.528 1.321 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1764396948 PFKXFGKMTQPCKF-KRWDZBQOSA-N 423.477 1.611 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1764996274 LVGATGDOAJIWLD-JKSUJKDBSA-N 416.432 1.956 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1 1766715326 SAINLEFVPJYJQC-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)c1 1767643254 AIFGFFLJFAYEDP-HNNXBMFYSA-N 409.494 1.547 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)C[C@H]1O 1767920566 RJPIEYWIIBMLOH-CZUORRHYSA-N 411.418 1.720 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCOC2)CC1=O 1769070554 JJCOYPUMKIGEML-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1769202994 XPBNRAYDDBKRCU-OAHLLOKOSA-N 405.524 1.970 30 10 HDEE COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1771082781 DOXWMKZAULZKRK-GOSISDBHSA-N 414.510 1.184 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccccc1F)C(C)C)[C@@H]1CCN(C)C1=O 1848930572 BEFMAVPYMAXTFW-NVXWUHKLSA-N 411.499 1.374 30 10 HDEE Cn1nc(OCC(=O)NCC#CCN2CCCC2)c2cc(Br)ccc21 1850995215 GVNLKGXCASNQQM-UHFFFAOYSA-N 405.296 1.930 30 10 HDEE COc1ccc(N(C(=O)CN2CCN(C(C)=O)CC2)C(=S)N=CN(C)C)cc1 1851192111 LBMGWRDXAIIHEW-UHFFFAOYSA-N 405.524 1.067 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1851347303 HOHHNBUSBQVQJK-CYBMUJFWSA-N 416.956 1.826 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1F 1851981135 JPRIKHGAMZAXKP-UHFFFAOYSA-N 414.528 1.705 30 10 HDEE CCOc1ccccc1-n1nnc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)c1C 1852492719 HSMNAUSAYMERTR-UHFFFAOYSA-N 418.461 1.599 30 10 HDEE CC(=O)N1CCO[C@H](COCCCc2cn3ncc(C#N)c3nc2C(F)(F)F)C1 1852536802 RTULZZXFONLSOJ-HNNXBMFYSA-N 411.384 1.816 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)C(=O)C2)C1 1853716480 VUIKSCBWQXAOQI-MOPGFXCFSA-N 410.518 1.279 30 10 HDEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854035423 MLEKKRUSGGLMLT-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854456025 CRXCBHIJYHOPSH-QGZVFWFLSA-N 401.488 1.343 30 10 HDEE Cc1ccc(-c2cc(C(=O)N3CCN([C@H]4CCN(CCC#N)C4)CC3=O)no2)cc1 1855098247 PDDKVJQFCPOYNH-SFHVURJKSA-N 407.474 1.922 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCSc4ncccc43)C2=O)CC1=O 1855349084 GCKZJABRJHPSGO-WBVHZDCISA-N 414.531 1.936 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734079 GXLJAJHSRFAZRM-CQSZACIVSA-N 415.446 1.688 30 10 HDEE CCS(=O)(=O)C1CN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)C1 1856170176 SHPAUIRPQGLUTP-HNNXBMFYSA-N 403.504 1.364 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)c1ccccc1 1856652881 HQHVNXASMXWNLD-PBHICJAKSA-N 405.476 1.703 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CSCc3ccc(OC)cc3)OCC2=O)CC1=O 1857047330 ZBZAXFQZCUPZFI-SJLPKXTDSA-N 418.515 1.717 30 10 HDEE Cn1nc(C(=O)N2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)ccc1=O 1857300902 YQOUFKUHUKDERI-SFHVURJKSA-N 405.458 1.079 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858337338 ZOGNIMTUUXCVOX-QGZVFWFLSA-N 419.528 1.917 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc(C#N)cc1 1867019040 FNUYSLTXNVKMEF-SFHVURJKSA-N 415.471 1.365 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCCc4ccccc4)cnc32)cc1 1870104448 WQUHCTDYWRVENL-UHFFFAOYSA-N 413.441 1.267 30 10 HDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(C)CC2)nc1C(F)(F)F 1872799122 DGSCWAKZLCVOEZ-JTQLQIEISA-N 404.414 1.762 30 10 HDEE Cn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)nc1CNC(=O)OC(C)(C)C 1880980469 RXVUQAGQMYZLON-UHFFFAOYSA-N 400.391 1.813 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H](O)C1(C)C 1881239224 VDZGASLCMOIJDC-ZUOKHONESA-N 404.419 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C=O)(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1881628209 AFLNLPIQDCZTRZ-SPLOXXLWSA-N 402.447 1.860 30 10 HDEE C[C@@H]1CCC(=NO)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2027058480 UVPVZSFEWVYKTQ-CYBMUJFWSA-N 407.492 1.953 30 10 HDEE O=C(N[C@H]1COCC[C@@H]1N=C1NS(=O)(=O)c2ccccc21)OCc1ccccc1 2106034425 HCNXHSGNCYGPKW-IRXDYDNUSA-N 415.471 1.809 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1CO 2122390983 NPMUJADDCZLISW-YPMHNXCESA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)S(=O)(=O)N1CC[C@H](C#N)C1 2174782571 RRQPAZGFBPHRDM-GFCCVEGCSA-N 414.450 1.856 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 2174784469 OBDQSMJLRHKHPN-GDBMZVCRSA-N 400.545 1.949 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174789517 RHOMECMTSLDRBB-ZNMIVQPWSA-N 402.517 1.127 30 10 HDEE CC(C)(C)OC(=O)NCCCOC1CCN(S(=O)(=O)N2CC(C#N)C2)CC1 2174789838 WFGWJWBRULSITH-UHFFFAOYSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 2181112192 XSKYHQVGBAPMLB-KBPBESRZSA-N 402.517 1.101 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)Nc1ncc(I)cn1 2189861538 VEZCAMQZZBSXMO-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1nc(S(C)(=O)=O)ncc1Cl 2197001629 AASPXZZPMUNDJD-UHFFFAOYSA-N 418.903 1.734 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2nn(C)nc2Br)C1 2214370843 VEBWIADQAACAIA-UHFFFAOYSA-N 400.277 1.807 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390614 YBQCEWINHYRKOK-STQMWFEESA-N 404.276 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 2243667985 LTKTWNKBBKHVDU-UHFFFAOYSA-N 423.344 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247829788 VWJQKWFEBOTJRK-ZDUSSCGKSA-N 418.303 1.614 30 10 HDEE C[C@@H](CN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247837019 LQNKIJITKYIERX-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247837046 MCSRYBFZFAXEAK-UHFFFAOYSA-N 422.291 1.352 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2247895916 VXSULVDXCKRDJV-UHFFFAOYSA-N 403.331 1.315 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247915012 UWNRJOHYIGJTGD-QWHCGFSZSA-N 420.319 1.362 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2OCc2ccccc2)n1 2247922001 ZIKLJJJNJHBQDA-JKSUJKDBSA-N 412.299 1.592 30 10 HDEE Cn1nc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247922473 IDUIOQCJZNTCEQ-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE Cn1cc(C(=O)N(CCC(=O)O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2248592440 BMBDNKWSSIHUAH-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE C=CCCSCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249438661 SXUFULLKZRRNQM-OAHLLOKOSA-N 416.521 1.595 30 10 HDEE CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CS(=O)(=O)C1 2267138141 RZHVKWKKDUXDOS-UHFFFAOYSA-N 405.734 1.618 30 10 HDEE CC1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC(O)C1 2267355589 ZURIFXSZQZXFKP-UHFFFAOYSA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@@H](O)C3)cc2Cl)OC1(C)C 2267356467 YJKVZFIGTWFAPG-NXEZZACHSA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSC[C@H]2CO)OC1(C)C 2267720096 ICPHREBDRHZLOS-LLVKDONJSA-N 405.372 1.146 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCN[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282317991 BRAQPBYXUVQSQD-QWHCGFSZSA-N 400.375 1.775 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)[C@H]2C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282318569 HSLLEVPTSDGXGT-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE C[C@@H]1CNCC[C@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333732 SAMMPZOWBWJMLX-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CC1CC(CO)(N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282350565 OVHXEVBMCGHKIH-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CC[C@@](C)(O)C2)OC1(C)C 2282417570 CRTNXLITFAUYFR-BDJLRTHQSA-N 402.347 1.165 30 10 HDEE C=C(CS(=O)(=O)N=S1(=O)CCC2(CC1)CNC2)B1OC(C)(C)C(C)(C)O1 2282499047 MPAAGHZJHYUFCY-UHFFFAOYSA-N 404.363 1.355 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@]2(CF)CCNC2)OC1(C)C 2282500662 ZQEBUZVIIXXBKB-INIZCTEOSA-N 404.338 1.168 30 10 HDEE Cn1nc(C(=O)N2CCP(C)(=O)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282542886 LWVLRNSXQSSVAA-UHFFFAOYSA-N 401.640 1.821 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCS(=O)(=O)N3)sc2Cl)OC1(C)C 2282621043 NDPPQYZTRGZTGN-SECBINFHSA-N 420.749 1.122 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@@H](O)[C@H]3C4)cc2Cl)OC1(C)C 2282829119 ZYMHBQIQOAHWCB-YUSALJHKSA-N 419.761 1.845 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C[C@@H](C)O 2282838121 JHGFDZRWZJNUGA-NWDGAFQWSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CN)s2)OC1(C)C 2282867857 FHSWQHOVQJPDJN-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE CSC[C@H](C)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282869901 JWNMDFZSDCQFLV-LLVKDONJSA-N 403.379 1.305 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284396676 XVSNLCSEPFVERE-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE C[C@H](CCC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284398304 WJRAFFHAKJEMLQ-LLVKDONJSA-N 403.331 1.720 30 10 HDEE CN(C[C@@]1(O)CCCN(S(=O)(=O)CC2(C#N)CCC2)C1)C(=O)OC(C)(C)C 2286344434 GQWUPHPILWAVSK-SFHVURJKSA-N 401.529 1.704 30 10 HDEE CN(CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1cccs1 2289421148 LXEXFJCATYTLMP-VQHVLOKHSA-N 400.331 1.672 30 10 HDEE CCOc1cc(C=Nn2cnnc2SCC(N)=O)cc(Br)c1O 2321270138 MWZRWVPTVNWWRP-UHFFFAOYSA-N 400.258 1.605 30 10 HDEE C=C[C@]12C[C@H](CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc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c2csc(CN3CC(CS(=O)(=O)C(F)F)C3)n2)OC1(C)C 2368852291 GNAJGPIKJYMNDK-UHFFFAOYSA-N 408.301 1.512 30 10 HDEE C[C@@H](CN(C)C)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2379904503 YUEFDSBCURVPQK-ZDUSSCGKSA-N 402.391 1.759 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 5362918 UAGMGCNSEBJELM-UHFFFAOYSA-N 409.398 1.982 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 25565325 LQQLPFPUWWJRPI-INIZCTEOSA-N 424.523 1.714 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(F)cc3)n2)o1 59879017 GJRJZRNYSOACDT-FBCYGCLPSA-N 404.431 1.744 30 10 HDEE C[C@H](C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)n1cnc(C#N)n1 409951869 WNYYEYAMYYPTNN-DGCLKSJQSA-N 406.368 1.647 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CCO1 410149595 WTCBSRQJJJJMAN-CABCVRRESA-N 405.398 1.548 30 10 HDEE CCO[C@@H]1C[C@]2(NC(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)C1(C)C 431598032 ALBQUZNBUPQLNR-DRSNIGMVSA-N 410.474 1.785 30 10 HDEE C=CCN(CC(=O)N1CCN([C@H](C)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 440299043 XJZZPIYSAUKOON-UYAOXDASSA-N 405.564 1.567 30 10 HDEE CCOC(=O)c1cnc(N2CCN(CC(=O)NC3(C#N)CCCCC3)CC2)s1 464766577 UMHPRSMSBMODKY-UHFFFAOYSA-N 405.524 1.784 30 10 HDEE Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)n2)cc1 467076746 WLORTKQNWNKRPU-CVEARBPZSA-N 420.477 1.975 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)CC1 474206777 AJFRVVVRAOBVTG-SJKSJLCJSA-N 423.538 1.785 30 10 HDEE CC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCOC1 485122191 QHKUMTANOMRGHJ-SFHVURJKSA-N 405.520 1.985 30 10 HDEE CN1C(=O)C[C@@H](NCC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 493983120 CYYJAZAHIWVHQO-VQIMIIECSA-N 405.861 1.996 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 504033320 DLOKCLNHXXDCMF-UHFFFAOYSA-N 412.534 1.804 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCO[C@@]3(CCCOC3)C2)c1 509623803 FUFKLMFTALXYPE-HNNXBMFYSA-N 401.282 1.891 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 510090561 XHWWIZKINJVFLB-PXNSSMCTSA-N 408.502 1.731 30 10 HDEE COc1cccc(N2C[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 510286407 KSUXJGRZPAPJDO-QGZVFWFLSA-N 420.473 1.599 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2cc(Br)ccc2F)CC1 535371490 GBJSKRKQKQYVDV-UHFFFAOYSA-N 412.303 1.967 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 540604390 TYNKDUQEQIPYLY-AWEZNQCLSA-N 402.480 1.833 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4c(F)cccc4F)C3)CC2)n1 546168591 PVNODCBEGVXRLE-CQSZACIVSA-N 411.412 1.933 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@]2(CCOC2)C1 549666871 HVVIHPKXUOTWIK-QFIPXVFZSA-N 422.489 1.764 30 10 HDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 555248148 KWESBKAXKOIGKR-LJQANCHMSA-N 410.522 1.789 30 10 HDEE Cc1nc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cs1 586862150 LLDAWQIDOPVOIN-UHFFFAOYSA-N 401.467 1.423 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 611541096 PEBILKHZXUEATF-SPLOXXLWSA-N 400.479 1.742 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C)N2CCN(c3ncccc3C#N)CC2)cc1OC 619510197 ALCVTRPSXJRSRA-MRXNPFEDSA-N 409.490 1.797 30 10 HDEE C#CCn1ncc(NC[C@]2(O)CCN(Cc3ccccc3)C2)c(Br)c1=O 702602862 PMLPFLMAEDNZJO-LJQANCHMSA-N 417.307 1.688 30 10 HDEE NCC#Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 703980566 XKKOUQVXNVASSI-UHFFFAOYSA-N 411.483 1.103 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 731129107 HGACIURTYXEPHU-UHFFFAOYSA-N 400.456 1.498 30 10 HDEE N#C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1C1CC1 732650777 GEKHHRPVIUBJDO-IBGZPJMESA-N 416.547 1.602 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C1CC1 732705848 HVDAIUZTGZCJER-GFCCVEGCSA-N 409.349 1.333 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)OCC)C2)cc1 741391626 OSWPNQIXPBRZSL-MRXNPFEDSA-N 411.480 1.289 30 10 HDEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746331258 HHFPHGQVJUODAQ-SFJAUFLASA-N 403.479 1.873 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1C#N 746680838 RDJOUAAZNSTNOM-UHFFFAOYSA-N 421.500 1.486 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)c1 747952535 AXXOHDVXAAMXJP-QFBILLFUSA-N 413.478 1.191 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N(CCC#N)CCN2CCOCC2)cc1 749370196 GPDPUUAVYKYABC-VMPITWQZSA-N 406.508 1.146 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 752586357 DDSPOJLIOXJTPB-WDEREUQCSA-N 407.473 1.690 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)ccc1F 765288338 PPGYJCZAYGHTGF-ZBFHGGJFSA-N 409.483 1.421 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)N2C[C@H](C)O[C@H](C)C2)C1=O 767530457 BJAPOXIMNRLJCP-VBQJREDUSA-N 404.533 1.516 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCC(=O)OCc1ccccc1 770809412 NXGUDPGVNMQCDF-OAHLLOKOSA-N 416.455 1.905 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CCc2nnnn2C)C1=O 771539839 SFQSCOYQLIBFJR-AWEZNQCLSA-N 401.496 1.137 30 10 HDEE C#CCN(C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774053020 MOCDBRSFBZNECT-CQSZACIVSA-N 407.448 1.306 30 10 HDEE CCN(C[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)CC(F)(F)F 776137349 FQGNRKUZFXDUMD-PVEMMZBWSA-N 417.432 1.429 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2nnc(C(F)(F)F)s2)CC1 776838988 KFSHOOUCFWKENX-UHFFFAOYSA-N 418.426 1.403 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1=O 783064377 GYIKCOBZPMAISG-OAHLLOKOSA-N 400.414 1.774 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)c3cnn4cc(Br)cnc34)nc12 784493560 KQGHVQKSUONYKR-UHFFFAOYSA-N 414.179 1.469 30 10 HDEE Cn1cc(C[C@@H](O)C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 786871148 PKJCFMFNMADZPA-MRXNPFEDSA-N 409.364 1.053 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)n1 788364826 AAYMDSAIZJYGFI-QFIPXVFZSA-N 409.490 1.780 30 10 HDEE CCOc1cccc(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 797914330 ZZHQCBNLPSFWNW-UHFFFAOYSA-N 413.434 1.083 30 10 HDEE Cc1ccc(CNC(=O)c2nnc(COC(=O)[C@@H](C)n3cnc(C#N)n3)s2)cc1 798745813 MHVZCPFRVMIHST-GFCCVEGCSA-N 411.447 1.544 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(C)C 809801964 KSROFLZDLGHNGP-GOSISDBHSA-N 407.536 1.409 30 10 HDEE N#CCCC[C@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 817320020 VTWGHWYMFLWYLU-IRXDYDNUSA-N 416.503 1.703 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccncc2)c1=O 838178295 RFEPNQDMIPCODJ-UHFFFAOYSA-N 421.478 1.346 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c(=O)[nH]c21 900872872 AYGOYUZVAGJFQX-ONEGZZNKSA-N 417.473 1.934 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](/C=C\c3ccc([N+](=O)[O-])o3)N2N1 1082989786 FTPSXGYHAMNYSW-VIHMKRCTSA-N 409.427 1.591 30 10 HDEE CCn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 1083920155 ULGIGUGLILITQW-UHFFFAOYSA-N 414.451 1.927 30 10 HDEE C=CCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1125953148 AEFVMUOCVZLTMQ-RRFJBIMHSA-N 404.504 1.783 30 10 HDEE C=CCN(C(=O)c1ccc(-n2cnnn2)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 1128003071 HBLMYRVSNAGURE-IBGZPJMESA-N 406.446 1.860 30 10 HDEE N#Cc1c(NC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)nc2n1CCOC2 1134818347 XDZFEBOTKWEFND-CYBMUJFWSA-N 417.219 1.768 30 10 HDEE Cn1c(S)nnc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1136683996 XMGKYRUZVNJILD-UHFFFAOYSA-N 407.297 1.491 30 10 HDEE CN1CCO[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1136704062 JSVVTYYICWGBSF-CVEARBPZSA-N 421.295 1.015 30 10 HDEE C=CCNC(=O)CNC(=O)c1cnn(-c2ccccc2)c1I 1137840849 HJRZZOYTQOHETB-UHFFFAOYSA-N 410.215 1.509 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)C3CC3)C2)C1 1142256062 ZCJFGWNMAMAPKP-BIWSTMPVSA-N 411.524 1.467 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1144923723 UVBUKKTYGXSWKL-RHSMWYFYSA-N 409.464 1.029 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1Br 1158515964 HMBMLVKDIIDIJI-DLBZAZTESA-N 408.296 1.757 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OCC)c2ccncc2)cc1 1162045911 JNIIWUGPVHKXQC-SFHVURJKSA-N 417.487 1.970 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1162831530 SLINJSQJYMWYRP-INIZCTEOSA-N 416.503 1.697 30 10 HDEE N#Cc1cn(CCNC(=O)c2nc(Br)sc2Cl)c(=O)nc1O 1167526951 HKWPNYSEGUAHML-UHFFFAOYSA-N 404.633 1.123 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccno4)CC3)CC2=O)cc1Cl 1175562511 RLRMJENKVZUDGY-HNNXBMFYSA-N 413.865 1.897 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)cn1 1192327701 JARJQCREUHIWKW-UHFFFAOYSA-N 402.810 1.885 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)n1 1211730513 BLXLWPNPWAQNNC-SANMLTNESA-N 416.569 1.640 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CCOC1 1224537928 PISVHNUAXHGQGS-GHTZIAJQSA-N 400.479 1.691 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1230563183 ZXEKBNPAQIRNDY-LBPRGKRZSA-N 418.313 1.971 30 10 HDEE CSCc1n[nH]c(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1255508793 FHQPABMFXJLQLB-UHFFFAOYSA-N 402.484 1.437 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC2CC3(CC(NC(=O)OC(C)(C)C)C3)C2)CC1 1256487526 JKOATVMFVWAQQF-UHFFFAOYSA-N 418.538 1.993 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383529 XKEOQUNSZLUJSV-YESZJQIVSA-N 421.567 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2cc(C)nc21 1286461050 MEFPBUVVCXBLSB-QGZVFWFLSA-N 413.526 1.585 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)N2CCCC2)CC1 1286480339 LPFQFNNHRMFZKC-UXHICEINSA-N 400.571 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)CC)CC1 1286490996 ACAKMCOZBQZPKU-JOCHJYFZSA-N 410.522 1.391 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1286816260 DQOBSARJDUPDFZ-LJQANCHMSA-N 403.552 1.898 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1286959503 HBBFLMKSWAFVOZ-NEPJUHHUSA-N 412.466 1.811 30 10 HDEE CC(C)OCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1288389874 PYVTYGMIZNUISG-FXAWDEMLSA-N 407.515 1.863 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1290725108 FXGVCXDTNUMATM-UHFFFAOYSA-N 401.529 1.149 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C2)C1 1294492597 JVJUELQLUVAOJT-IYOTWJRTSA-N 402.495 1.653 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1296347294 ANXIJZSTHSGAFQ-JKSUJKDBSA-N 420.495 1.161 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CC#N 1299315467 RCSRXDMMKYOPBK-LBPRGKRZSA-N 412.466 1.435 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](CO)C[C@@H](C)C1 1299633509 BVCGQCMZUVRPFM-VYDXJSESSA-N 407.536 1.761 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cn1 1300207945 BYDCQVJNDQQZHQ-UKRRQHHQSA-N 404.496 1.228 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1300305495 WDTQAGLHNMKXDH-LHSJRXKWSA-N 408.462 1.857 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@@H]2C)c1 1300332709 LJNYIOKRPIOBJC-LESCRADOSA-N 406.490 1.941 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300381109 OAWFVDZAABWBNP-GOSISDBHSA-N 423.521 1.640 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1300402743 BIRKMTJWZFTZSP-UHFFFAOYSA-N 424.553 1.227 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1NC(=O)CC1(C)C 1300516914 VEALKPHLQQNBDR-KRWDZBQOSA-N 406.446 1.841 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N(C)C 1300604518 LLOKADWYIYELLF-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1nncn1C 1300657282 JVXUXNBJXXJXEM-UHFFFAOYSA-N 417.420 1.809 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC2CC2)CC1 1300691057 WDIBNJVGHJHYQT-UHFFFAOYSA-N 417.535 1.427 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1300695976 QFUBCYWBGWLXHR-QUCCMNQESA-N 410.522 1.455 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300734004 PGSQRQSBFUZELF-HNNXBMFYSA-N 401.540 1.745 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1301160750 WXNWIBOPXJLNJL-INIZCTEOSA-N 400.527 1.814 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1301399914 XAAINSFORDNDBY-UHFFFAOYSA-N 420.521 1.926 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1301450822 MLAXOPUYSAISAN-BFUOFWGJSA-N 404.471 1.532 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301610348 WSPKPFNAAMPMPS-DOTOQJQBSA-N 415.567 1.951 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1301953102 QEQGFKUVKIDFMF-HZPDHXFCSA-N 419.493 1.980 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1301958893 AYPQMGIAIXKYHR-CYBMUJFWSA-N 420.495 1.209 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 1302286425 ICQSYNDSBWSRRF-QDEZUTFSSA-N 415.416 1.868 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1307929645 OFORZOCUWDSVPI-FCHUYYIVSA-N 418.497 1.901 30 10 HDEE C[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)C[C@H]1CNC(=O)OC(C)(C)C 1308130303 MIMOTJAKMHPNHD-GDBMZVCRSA-N 408.524 1.820 30 10 HDEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1313493278 RAMQALWNBKPYHQ-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1315042033 DAGDCHFVFNUOMG-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1315156169 KZOZESRBWOKMNJ-INIZCTEOSA-N 424.509 1.142 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CCN1CCOCC1(C)C 1316101000 FIKPLGNRYLADRU-QGZVFWFLSA-N 406.531 1.259 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1358927373 WFHCSOJRLOQPIT-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358956088 AEYVHWHSKVGTTE-AEFFLSMTSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963798 OFJGNPBKTUPDMN-BRSBDYLESA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1358979188 FRJILVPXPHOEOP-KURKYZTESA-N 419.551 1.120 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN(C(C)=O)C1 1358986567 ZMDWKPOITHJTHY-ICSRJNTNSA-N 415.538 1.724 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN(C)C(C)C)CC1 1359031343 YONPEJQKZMATNQ-QFIPXVFZSA-N 418.586 1.416 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CCS(C)(=O)=O)C1CC1 1359057193 UWVBKPYWIBMPJK-MRXNPFEDSA-N 412.581 1.900 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359215830 KAZHVLMOSDQTKA-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C)C1 1359293918 DKPAZOVTOJFIBS-CQSZACIVSA-N 401.467 1.490 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)NCCn1cnc(C#N)n1 1436180891 TYJNZSDCTSNZIO-QGZVFWFLSA-N 423.477 1.883 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC3(C(=O)OC)CCOCC3)ccc2c1=O 1449601262 QXKXWAGPBVMBQX-UHFFFAOYSA-N 403.460 1.323 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC[C@]3(O)CCCOC3)C2)C1 1452756009 LUDQJCLSOFQEBW-HESSTHLMSA-N 407.511 1.821 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)n1ncc(C#N)c1N 1454247850 PKBJZGNXABHBAW-OAHLLOKOSA-N 415.251 1.968 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1454716224 VOOGQRKBBNFBHE-UGSOOPFHSA-N 404.891 1.939 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](c3nc(CC)no3)C2)cc1 1456719415 FKTLWOLFWUVKKV-GJZGRUSLSA-N 402.476 1.610 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC[C@@H]3CCCS3(=O)=O)ccc2c1=O 1457991789 NCEZMLOTGABZQS-ZDUSSCGKSA-N 407.517 1.568 30 10 HDEE COC(=O)c1cccc(CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1C#N 1460780263 KYAVZVVKBYRBEK-SFHVURJKSA-N 402.476 1.440 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1460861496 RNKLYCDHILYBMS-PXNSSMCTSA-N 406.490 1.459 30 10 HDEE C#CC1(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CCCC1 1462441510 QFBSYHVQCWCXRW-UHFFFAOYSA-N 419.547 1.697 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1465708988 KWGFXRVUQSLBIA-CHWSQXEVSA-N 414.890 1.517 30 10 HDEE N#Cc1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)s1 1469152728 PXTBZMJCOWPAPS-UHFFFAOYSA-N 411.530 1.696 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(=O)nc1O 1469390582 XVJUNNJQZZUFHE-UKRRQHHQSA-N 406.446 1.930 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1469815277 RIOBZRIUQGAZOK-KRWDZBQOSA-N 408.520 1.377 30 10 HDEE N#CC1(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CCCCC1 1470194459 SYANQDAZIMBQTL-UHFFFAOYSA-N 406.508 1.374 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(C)COc3ccccc3O2)c1 1470465208 KQCXIAYNKXMDSV-HXUWFJFHSA-N 400.456 1.558 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1471110092 KJONBJXWHBPENT-UXHICEINSA-N 419.547 1.028 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 1473689433 VSRRTRPOEZDERL-ROUUACIJSA-N 406.552 1.891 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H](Cc2cccc3ccccc23)C(=O)OCC)CC1 1473699338 HDLWDVHQPYKPAY-QFIPXVFZSA-N 407.514 1.681 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC1(C#N)CCOCC1 1478595200 AUGVLQICYUPBDG-UHFFFAOYSA-N 414.915 1.546 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1479500309 VOGBFMMSPVJBAZ-HNNXBMFYSA-N 422.526 1.319 30 10 HDEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)s1 1492766029 ZIDWEQFPOWNVGK-UHFFFAOYSA-N 422.518 1.888 30 10 HDEE COCc1nocc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1504659795 KZCUPUYCPCHBES-KRWDZBQOSA-N 421.461 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1507646917 ZWBGNLLZRCXNQS-QGZVFWFLSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@](C)(CC)O1 1507653289 MJCQGJDBXQDMHJ-FUHIMQAGSA-N 404.536 1.601 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507751088 DJAQMLPSSIMZDM-UHFFFAOYSA-N 404.584 1.512 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1507844988 UXVJXBCOEDYFGS-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507874863 XEMHQFGGSMXVFX-HUUCEWRRSA-N 418.947 1.912 30 10 HDEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507955161 CTPVCNFXJFGUKK-QGZVFWFLSA-N 424.505 1.013 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1)C1CC1 1507993964 WGBGZDXKHIHJGT-MRXNPFEDSA-N 423.583 1.446 30 10 HDEE Cc1c(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1510506735 PHKOKYVWGCYIKC-SFHVURJKSA-N 409.498 1.617 30 10 HDEE CCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1515656034 IUTQRURULFAVPN-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1517606988 DSNIDVBTOPOPJW-UHFFFAOYSA-N 424.509 1.050 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518748762 JBVVESJVBLQWNU-IUODEOHRSA-N 402.430 1.301 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](C)CCCOC)CC1 1536642190 VKFAQWHWEVFJPU-RTJUMIHMSA-N 402.535 1.925 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3ccnn3-c3ccc(C#N)cc3)CC2=O)cn1 1538192939 HNTYGAYUQXUWEM-MRXNPFEDSA-N 419.445 1.578 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1539003122 AFZJAGPXTZZLSE-GDBMZVCRSA-N 413.478 1.115 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1539014244 LPIBPJOOMUECDL-LSDHHAIUSA-N 418.567 1.545 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1539216339 QOSYNQZLGICIBG-HNNXBMFYSA-N 418.498 1.644 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CCC)CC1 1539428072 MSQMIRKCIOPUGZ-IBGZPJMESA-N 415.586 1.436 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1539496132 CJFKHFKTSYOJKR-QWHCGFSZSA-N 403.599 1.196 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)CC1(c2ccccc2)CC1 1540861894 KLOPJAQEXGZFQV-UHFFFAOYSA-N 410.522 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC(C)(C)C1 1540869579 QJXXAGOLKKYRCU-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(F)F)CC1 1540906847 DMAFCBKKVBLCEU-UHFFFAOYSA-N 403.499 1.219 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCCn1cnc2c(N)ncnc21 1544447359 ZUSSEGDCCPRYHH-UHFFFAOYSA-N 406.494 1.651 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CCO1 1555994741 YWUBNIPRWJSMTF-BFUOFWGJSA-N 421.473 1.744 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc1C#N 1556709258 TVKGDLYTBGZGHO-HNNXBMFYSA-N 400.410 1.999 30 10 HDEE COc1cccnc1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557039632 CHQOVYYLZKVIJG-HNNXBMFYSA-N 416.503 1.860 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c(F)c1 1558698096 PJHRHKZJSSPMAJ-MRXNPFEDSA-N 410.453 1.804 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)C1 1564530730 HXLQBJWPDYVTQN-AHEZYBDSSA-N 416.478 1.787 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 1565156683 NWZQWXRBLFLAOV-ROUUACIJSA-N 407.898 1.920 30 10 HDEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 1569703169 MUCOUQJYIIAOIW-VXPUYCOJSA-N 410.474 1.553 30 10 HDEE CNC(=O)N(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1583570067 UWOFVXMDMCELDN-UHFFFAOYSA-N 415.475 1.906 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1587568385 PRTJLWIICIQKIB-IPJJNNNSSA-N 419.570 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1587640735 UXOSFMFUZMSHIY-HZPDHXFCSA-N 407.540 1.041 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1587888993 QWAGXPPLKSSUIG-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1587965585 KXZUWVQCFGWQDR-INIZCTEOSA-N 403.494 1.910 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1587979018 GMEGZPDOEOAJAZ-CQSZACIVSA-N 422.411 1.877 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1588073827 FLIZCHGPAKHNLE-AKSSPNHOSA-N 422.551 1.595 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1588200044 AMFFOJHHWPTDJD-UHFFFAOYSA-N 412.515 1.994 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1588433955 UOXNZBAFRZQXAU-FQEVSTJZSA-N 413.570 1.956 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(N)=O)cc1 1588628165 FJUUYDWGTNMFKJ-UHFFFAOYSA-N 408.466 1.304 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C)N1CCCCC1 1588637300 CMUGOEDFDLHYQO-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(-n3cncn3)nc2)CC1 1588741434 CFZXCNJPTNASFT-KRWDZBQOSA-N 405.510 1.571 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1588812186 QOGUIZIFEBGLAA-PMACEKPBSA-N 400.571 1.658 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)c1 1588915039 ZQDOVGVZYVXQOV-UHFFFAOYSA-N 414.487 1.611 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1589069141 IWHDSXCOLBSDGJ-GJZGRUSLSA-N 400.570 1.408 30 10 HDEE C#CCN(CC(=O)Nc1cc(OC)c(OC)cc1C(=O)NC)C(=O)OC(C)(C)C 1595548409 UFCDUBQUJDCJGW-UHFFFAOYSA-N 405.451 1.872 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1595816054 AWQINTBVOFEOSP-LBPRGKRZSA-N 403.298 1.468 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595878096 IJFBKBORXZAXQG-JKSUJKDBSA-N 406.556 1.501 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CCO1 1596642578 YMVNUYXVZPKUPV-WOJBJXKFSA-N 422.489 1.503 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1611761686 OACRIGWITLMBJQ-PMPSAXMXSA-N 417.441 1.701 30 10 HDEE Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CCO[C@H](C#N)C2)s1 1612156671 GHLURPSSSPHZER-CQSZACIVSA-N 424.552 1.479 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnnn1-c1cc(Cl)ccc1Cl 1616346238 GMWOICBANGVMRB-ICFOKQHNSA-N 421.244 1.830 30 10 HDEE CCCc1c(NC(=O)[C@]2(OC)CCS(=O)(=O)C2)cnn1-c1cccc(C#N)c1 1616798134 CZODBTOVOKJRAA-IBGZPJMESA-N 402.476 1.839 30 10 HDEE CN(c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1617741893 KWASIHXSJSRDCQ-VDMFXUGISA-N 413.507 1.741 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1618500501 OUFBJAHLLVIBGF-MGPUTAFESA-N 406.531 1.904 30 10 HDEE CO[C@]1(Cn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1619062867 MJIVJDLGUVGBHB-SFTDATJTSA-N 419.526 1.864 30 10 HDEE COCC(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1619551019 BDFBHAJSSDDDHH-UHFFFAOYSA-N 412.494 1.819 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1619723786 SWGRHTDBENWTLP-VGSWGCGISA-N 424.505 1.680 30 10 HDEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1619834231 FPVKQOUGMRSZMH-NRFANRHFSA-N 417.558 1.612 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1619844007 HWJIXSAEJFXMNM-HNNXBMFYSA-N 418.523 1.323 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)C1 1620347914 GSNKRMIGHYCPRA-SCLBCKFNSA-N 420.470 1.127 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC2(CC1)C[C@@H](O)CNC2=O 1620636692 HYGCICLDYFFRRE-IAGOWNOFSA-N 414.506 1.293 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC([C@@H](O)C(=O)OC)CC2)CCCN1C(=O)OC(C)(C)C 1623549304 NEDSAHZTRXTUMS-IERDGZPVSA-N 408.495 1.552 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1625082882 VSKZKCYHZMMDPI-ZJUUUORDSA-N 407.901 1.051 30 10 HDEE N#Cc1cn(CCC(=O)NCCCc2nc(-c3ccncc3)cs2)c(=O)nc1O 1626930047 SVYIRGLGJSQMGM-UHFFFAOYSA-N 410.459 1.478 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CCCn3cnc4c(N)ncnc43)CC2)cc1 1628324634 LZLJKNPZFXPSEO-UHFFFAOYSA-N 404.478 1.405 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1630986787 FVFBVIWTFOGYHU-KBPBESRZSA-N 424.910 1.105 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)SCC(=O)N2 1632543450 LMQPPVAXWDMXHF-NSHDSACASA-N 416.484 1.908 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)CC1 1632623970 LOYHAVQBQHSYCA-UHFFFAOYSA-N 411.893 1.694 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@](C)(C(=O)OCC)c1ccc(S(C)(=O)=O)cc1 1634151881 UGIOCCCTTNDAGE-IBGZPJMESA-N 411.476 1.494 30 10 HDEE C#CCC1(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CCOCC1 1635116913 PNOUDHWSKLCYNN-KRWDZBQOSA-N 401.463 1.236 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@@](O)(CN(C)C)C2)nnc1-c1ccco1 1636278995 SMGRIHIPWMJBFJ-LJQANCHMSA-N 405.524 1.731 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1636288226 FZBTWISRZIVUMQ-FOIQADDNSA-N 424.482 1.697 30 10 HDEE C#C[C@@H](NC(=O)N(CCO)CCN1CCOCC1)c1ccc(Br)cc1 1636561385 AWVUIZVTDNPRCY-QGZVFWFLSA-N 410.312 1.460 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@H](CNC(=O)NC)C1)c1ccc(Br)cc1 1636562297 JREBIOWAJHERAZ-HUUCEWRRSA-N 409.284 1.463 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1637579851 SMIDTBABRQFPOS-UHFFFAOYSA-N 419.503 1.473 30 10 HDEE C[C@H](CN1CCOCC1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639919854 IRVXOFXKOJANRK-CQSZACIVSA-N 421.339 1.936 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccccc2S(N)(=O)=O)c1 1641411284 KWGICNVPASNKEU-UHFFFAOYSA-N 420.512 1.403 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)CC3(C#N)CCOCC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1643350405 GFOAXDQKOXPTPC-DLBZAZTESA-N 417.510 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC(CO)(CO)C1 1644443308 DIGBDUNLJGWBTO-KRWDZBQOSA-N 401.463 1.206 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)c4cccc(C(N)=O)n4)CC3)n[nH]2)cc1 1644614491 GVGXRQDNTUDNLE-UHFFFAOYSA-N 401.430 1.405 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCOc2ccccc21 1645316845 YTFAQKOSNQYXDG-HNNXBMFYSA-N 401.463 1.835 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc2c1CCN2C(=O)C(F)(F)F 1645905964 NCUAREOFXUHAQK-WUKNDPDISA-N 422.363 1.993 30 10 HDEE C[C@H](CC(=O)NCC1CCN(CC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1646590819 CQDZDGJOCUWFSC-OAHLLOKOSA-N 418.563 1.742 30 10 HDEE Cc1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1S(=O)(=O)NCC#N 1651351437 KXFWRGFEXDMMOF-UHFFFAOYSA-N 403.435 1.280 30 10 HDEE C=CCN1C(=O)C(=O)N(C[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)C1=O 1651573154 CVSRGTIITSANEX-CQSZACIVSA-N 407.467 1.769 30 10 HDEE CN(C)CCN(CCN(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1654334949 FHFLDAZXQNSHOM-INIZCTEOSA-N 405.930 1.516 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)o1 1659322124 KUQOOFLXWBQGFI-IBGZPJMESA-N 408.462 1.040 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1661322812 AMDFLBJGULUURA-STQMWFEESA-N 400.526 1.673 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1665329188 DJJNFNZTMBYDIP-NSHDSACASA-N 416.286 1.856 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2 1670747445 BSXDNJMXVONGCD-UHFFFAOYSA-N 401.444 1.897 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 1670882684 SUOHUWIDWKTHHM-FQUUOJAGSA-N 423.457 1.028 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 1684077920 OTDYCSKJPFAJJP-HXUWFJFHSA-N 411.550 1.667 30 10 HDEE C=CC(C)(C)CCCNC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1684994648 RWLOAACWHSRXEY-UHFFFAOYSA-N 405.503 1.455 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 1686785960 BWRVCZFYBISULP-UHFFFAOYSA-N 416.503 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1689850904 JCOKSOKTROHMMR-SJORKVTESA-N 417.535 1.609 30 10 HDEE C#CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1689913156 ITTVTOXPEDKZPJ-CRAIPNDOSA-N 415.469 1.922 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689964842 ZIMNZKLAGIELML-HNNXBMFYSA-N 405.499 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCN(CC)CC1 1690042777 BURDYWCXWSGJOV-HXUWFJFHSA-N 422.581 1.415 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1690283026 KZBAVQFMKFLOLK-UHFFFAOYSA-N 405.528 1.562 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690299108 FLZSBIHULKWUQU-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690345848 FFFAJNZLYDFTQL-KGLIPLIRSA-N 413.931 1.134 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690511964 HTBPHYQASXVABA-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1690520233 OHXHQPFROGAGCA-UHFFFAOYSA-N 421.523 1.620 30 10 HDEE C=CCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690653063 AQBNCDMJKJELPZ-HXUWFJFHSA-N 415.498 1.091 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690998993 ABDDMCZFXQEOHO-ZBFHGGJFSA-N 424.484 1.758 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1692847909 JLTDXHIBRJLBBC-CVEARBPZSA-N 407.540 1.737 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1696630855 GZJUQCGLQVVTLO-QGZVFWFLSA-N 415.519 1.745 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CC=CCC1 1698246038 MPXXKRDHHRAWHW-ABSDTBQOSA-N 404.490 1.706 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492855 GISVTSRYFVAFCK-WMZOPIPTSA-N 412.469 1.758 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1705497776 HZMKBDWHZATFNR-CYBMUJFWSA-N 407.565 1.917 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1705544747 CLEJASZIVIQPLD-MRXNPFEDSA-N 417.535 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)NC 1705624802 PPYLCQGLWUMIHS-UHFFFAOYSA-N 411.915 1.234 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccnc2)CC1 1705642403 SLUPQFMTVILZOG-UHFFFAOYSA-N 404.522 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccn(CC)c2=O)CC1 1705647189 BXXRBLWGCKZVSX-UHFFFAOYSA-N 408.506 1.351 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1705730981 QFENNUUFEQZNHD-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1705889692 WKGAOVIKRSOAAG-UHFFFAOYSA-N 409.450 1.251 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(F)cc(F)cc2C1 1705903554 YAILSUBGCWGAMK-CYBMUJFWSA-N 403.433 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1705937630 ZOPASKNJJFOZQT-KRWDZBQOSA-N 409.512 1.973 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1706075175 KMXNWVAXIPBRFD-QWHCGFSZSA-N 405.471 1.448 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)NCc1ccco1 1707909698 CUVKBYUUKZCPEZ-UHFFFAOYSA-N 423.452 1.833 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(OC)CCOC1 1709136852 AARJYNQQEFUCFH-OAQYLSRUSA-N 414.485 1.983 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)C1 1710345953 HHYAKZHWBIEWCN-RHSMWYFYSA-N 418.523 1.370 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1711073994 PGGFJFKNWLHPQP-IBGZPJMESA-N 424.505 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1722275519 DYCDNOYTDVKIRV-AVRDEDQJSA-N 419.570 1.887 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(CCOC)c1 1722275997 CEXFOEAMRKIUCL-OXQOHEQNSA-N 402.499 1.279 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1722389640 JUHPPUJWAOEDKC-UZUQRXQVSA-N 424.501 1.965 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCN2CC)CC1 1722439707 MOBXZSAHKBRRDG-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1722671139 JVRIATRSKLRFOA-ROUUACIJSA-N 402.543 1.764 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1722692818 XUKYATBPYOKULX-LSDHHAIUSA-N 408.572 1.829 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N[C@@H](C)CC)C1 1722713359 GMCRYUGTQLTWFO-XHSDSOJGSA-N 404.515 1.315 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N(C)CC)C1 1722720049 FRUOPEJUIOVAFI-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC=C(COC)CC1 1722726932 KIRCSJGNCQDRPC-QGZVFWFLSA-N 410.540 1.556 30 10 HDEE C[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1723829691 WYLXWPZHEUBNOT-INIZCTEOSA-N 405.510 1.817 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(F)cn1 1729066404 DBJFXFISQLJEDY-UHFFFAOYSA-N 422.468 1.990 30 10 HDEE CCOCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCC1 1729123233 BUJSGTNFFVGXKH-KRWDZBQOSA-N 416.526 1.726 30 10 HDEE CN(C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1729339813 RQMQAIJLDVHXSL-KRWDZBQOSA-N 415.454 1.160 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1729713253 GKGITBPQGKGIIV-NRFANRHFSA-N 412.494 1.870 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2CCCn2cnnn2)cc1 1731181578 CNMZFCXLDVPOPH-UHFFFAOYSA-N 415.408 1.651 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740624804 LVRNKOIDNRPSDM-QZTJIDSGSA-N 405.568 1.199 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625356 FFZIOOQNRSSXQS-ROUUACIJSA-N 421.567 1.242 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NC)c1 1740683882 QMPMTDLRGABJRO-UHFFFAOYSA-N 407.478 1.173 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1740717207 MHEGBYCIRXAULC-INIZCTEOSA-N 423.608 1.221 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1740717256 NKKDQDMCGFYFPA-RHSMWYFYSA-N 413.503 1.469 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCCN(C)S(=O)(=O)CC 1740730827 JDMZPJCKICFIMW-QFBILLFUSA-N 409.556 1.446 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O)C1CC1 1740910688 IJJOLJJUQSMMKD-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1740938117 ZCUCRLNRCSUBPX-HNNXBMFYSA-N 421.523 1.097 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)CCOCC1 1740940175 WIZCANCAWFJWDG-UHFFFAOYSA-N 403.531 1.428 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)(F)C(F)F 1741679039 NRSBWTRRLMRDSM-NSHDSACASA-N 422.383 1.062 30 10 HDEE Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1742784353 CQZRUYKGVZZZDX-VHEBQXMUSA-N 410.482 1.230 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(=O)N(C)C)c1 1748692854 QJRJYDYZJSGYPV-KRWDZBQOSA-N 424.505 1.317 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1748771052 GVHIPOIFFFXZBQ-SIKLNZKXSA-N 418.586 1.273 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN(C(C)=O)C1 1748959050 MAPUCHSCSGNWOM-IBGZPJMESA-N 410.522 1.993 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749038023 MTIIZLSPYQJYDT-KRWDZBQOSA-N 418.567 1.610 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N(C)C)CC1 1749336647 QNTQCWNZWMRLJC-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749450993 ZZLFXJWIBYWEJI-AWEZNQCLSA-N 417.432 1.874 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1749686586 ZMQTTYORNYVHEC-UHFFFAOYSA-N 405.462 1.832 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1749896285 UJXHFGZWLRAENH-KRWDZBQOSA-N 421.505 1.934 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750387238 RYZSEHCGHGUOPL-QFPXGYFVSA-N 411.466 1.191 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)n1 1751838417 GHLDYXWSHNNHQF-AWEZNQCLSA-N 410.482 1.645 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1760162739 FPACTPIGCNWQBO-WMZOPIPTSA-N 422.599 1.755 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181523 WVYYAUSPFYCJHU-IEBWSBKVSA-N 407.584 1.868 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760192927 ZRGBFVHUXGJFMZ-PKOBYXMFSA-N 416.547 1.725 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760201468 CMZYPHPMENOUEA-UHFFFAOYSA-N 402.502 1.577 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1760211877 NECAXWNRWBOEBO-UHFFFAOYSA-N 419.938 1.953 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(NC(C)=O)nc2)n1 1760253039 UYKUMQIMFATWEG-UHFFFAOYSA-N 422.493 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](F)COC)CC1 1760271794 MFZGVAHXOWICAL-SFHVURJKSA-N 414.485 1.214 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1760528840 OMMKRHJXDTWFQT-JOCHJYFZSA-N 422.533 1.752 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC)[C@@H](C)C1 1760555887 PYOFVODDVMVJCC-DLBZAZTESA-N 411.572 1.303 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1762058697 RPTVWLSZTUCOAC-KBAYOESNSA-N 415.542 1.611 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)C1 1766160094 OUNXYHCAVVKVLK-OCVAZVNDSA-N 423.489 1.374 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H](C)C#N 1768250923 CWQGCNQVRSJNPL-PBHICJAKSA-N 419.507 1.821 30 10 HDEE CN(CCOCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768970867 WXCPONYACIZDOY-OAHLLOKOSA-N 419.507 1.556 30 10 HDEE CN1CC[C@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1769061534 CZQRDDBANDIVPZ-WOJBJXKFSA-N 420.439 1.656 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 1770202310 ORQWBZKTIAQVID-PFRQMTDMSA-N 423.489 1.640 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCO3)n1CCOCC(F)F)C2 1770735858 PZCVKVLXLMLZAO-OAHLLOKOSA-N 420.420 1.946 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2CCCn2cc(CO)nn2)cc1 1771533178 BSABYUMZTACWAW-UHFFFAOYSA-N 410.507 1.544 30 10 HDEE N#CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1771535970 FGVDNPYMTAGEPV-UHFFFAOYSA-N 421.505 1.234 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCCC2)nnc1N1CCC(CO)CC1 1771564501 LRTHRBXZCHVRAJ-CZIZESTLSA-N 414.510 1.671 30 10 HDEE Cn1cc(I)cc1C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851305040 LLMLJVBCUKUEKJ-GFCCVEGCSA-N 424.198 1.874 30 10 HDEE N#Cc1ccc(N2CCN(CCOCCS(=O)(=O)c3ccccc3)CC2)nc1 1851558301 CKRPIOMNQHWYHA-UHFFFAOYSA-N 400.504 1.566 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)Nc3ccnc4c(C#N)c(C)nn34)CC2=O)cc1 1851592358 AUHXGTMQGQPEMG-HNNXBMFYSA-N 404.430 1.905 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 1851996804 KEQKPRDQNUBJPM-BEFAXECRSA-N 403.414 1.464 30 10 HDEE Cn1cc(I)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1852115485 VNRGJRBSXCQKGQ-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)C2 1852304578 SZKMKNOCJDWTFG-KRWDZBQOSA-N 413.430 1.966 30 10 HDEE Cc1nccn1-c1cc(N2CCN(C(=O)COc3ccccc3C#N)CC2)ncn1 1852385758 LYKKTLRDKFFPLK-UHFFFAOYSA-N 403.446 1.570 30 10 HDEE C=C(C)CN1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)C12CCCCC2 1853677809 VWBRQBQNBQCHJF-QGZVFWFLSA-N 401.511 1.878 30 10 HDEE CCn1nc2c(c1C(=O)N1CCN(CC(=O)c3ccc(C#N)cc3)CC1=O)CCC2 1853860652 JFHZYAHDOWDMTB-UHFFFAOYSA-N 405.458 1.431 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C1=O)[C@@H]1CCN(C)C1=O 1854156690 CTTHPVICTPQIHB-MSOLQXFVSA-N 409.490 1.031 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3cn(C4CCSCC4)nn3)C(=O)C2)C1 1854163669 BRRNMPWCANBPSX-QGZVFWFLSA-N 418.567 1.281 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccn(CC)c(=O)c2)C1=O 1854225050 RPNVTTGVZGHYTM-MSOLQXFVSA-N 414.506 1.108 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N(C)CCC#N)C2=O)cc1 1854305397 DPHAFNSHPFJMNG-SFHVURJKSA-N 405.520 1.774 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CCOCC4)C(=O)C3)C2)c(F)c1 1854354083 DVZOKDCNJBPBMP-LJQANCHMSA-N 414.481 1.369 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854354396 KKMSOWZYWQMEIR-IEBWSBKVSA-N 400.454 1.121 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cc(-c4ccccc4F)on3)C2)CC1=O 1854817911 KPLLHJDGCFQECJ-INIZCTEOSA-N 411.437 1.639 30 10 HDEE COc1cc(C)ccc1O[C@H](C)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855010372 OPWCPTZVKGTZLS-MSOLQXFVSA-N 414.506 1.430 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1=O 1855129231 IQJJZQXWCYLMTJ-KGLIPLIRSA-N 408.476 1.766 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2ccc3c(c2)OCO3)CCN1Cc1ccc(C#N)cc1 1855599900 JZOXPPKFQWTFRO-OAHLLOKOSA-N 407.426 1.925 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)c1 1855907115 VJONRVOZPMVDOZ-MOPGFXCFSA-N 408.502 1.959 30 10 HDEE COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1855998819 FJVALNYGNSSWOU-GJZGRUSLSA-N 405.476 1.101 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C1=O 1856041274 KSNVBYQTDJLBIG-APWZRJJASA-N 409.490 1.934 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1=O 1856348246 BCGQWISQFRNQIX-LJQANCHMSA-N 407.474 1.658 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1856496114 AMJYZOZYGCTHOO-FUHWJXTLSA-N 418.519 1.060 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2sc(C)nc2C)C1)[C@@H]1CCN(C)C1=O 1857104637 LYGDGAIVLHMECE-JKSUJKDBSA-N 404.536 1.857 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)C3CCN(C)CC3)ccc21 1857153995 UATLBXVEZDJIDU-UHFFFAOYSA-N 405.520 1.783 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@H]1CCN(C)C1=O 1857225316 BJPSHWOPEUTDMU-ZBFHGGJFSA-N 415.519 1.032 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2cccc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857236542 HXECCHAZFZZMJU-VQIMIIECSA-N 415.490 1.168 30 10 HDEE CN(C[C@H](O)CNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1 1858030637 ZYAZMLCFZDEDSN-MRXNPFEDSA-N 407.879 1.623 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C(=O)Nc3cccc(C#N)c3)C2)CC1 1858384444 HZGBVNDZFLOMII-INIZCTEOSA-N 404.492 1.017 30 10 HDEE CSCC[C@H](NC(=O)CC[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866928208 AMRIQEFONXVHQP-PBHICJAKSA-N 423.560 1.950 30 10 HDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1cnccn1 1870112908 DRXGWRACWKMYDV-UHFFFAOYSA-N 408.334 1.015 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC(=O)OCC)cn1CCNC(C)=O 1870372949 VMRADUYGEDCUQQ-UHFFFAOYSA-N 419.522 1.881 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCOCCO 1870765256 NLMVRCDIKLWTBL-UHFFFAOYSA-N 422.522 1.753 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1891344476 LCJFKNXPJYMLGH-INIZCTEOSA-N 414.487 1.754 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)NCC1CN(C(=O)OCc2ccccc2)C1 2044242719 ZIYCHWOOJRWKOW-UHFFFAOYSA-N 400.460 1.687 30 10 HDEE Cn1cc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2074370674 JJEITERUTJSCMR-WCQYABFASA-N 413.320 1.627 30 10 HDEE N#Cc1ccnc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074676049 ISWUTKMQPAMEBF-INIZCTEOSA-N 403.416 1.248 30 10 HDEE CN(CCn1cnnc1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116140921 SECWKOIKHBHYLD-UHFFFAOYSA-N 408.109 1.871 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCN(S(=O)(=O)CC2(C#N)CCOCC2)CC1 2174778418 WTVXPQJOQWPWCR-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174779999 PCNCLSNUUXXODZ-AREMUKBSSA-N 421.541 1.354 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCS)C(=O)O)C[C@H]2COCC[C@@H]21 2180629024 IRYHJSLQHDTJOM-RQJABVFESA-N 402.513 1.538 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(N)=O 2212760544 XTIIRUDDULMCGG-ZDUSSCGKSA-N 407.276 1.138 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NC(=O)C(C)(C)S(C)(=O)=O)n2)OC1(C)C 2241110566 GXSQCJSLCITGDY-UHFFFAOYSA-N 402.709 1.796 30 10 HDEE CN(CC1(O)CCN(Cc2ccccc2)CC1)C(=O)C#CCNC(=O)OC(C)(C)C 2244387035 NBJBMGCNHRQTOT-UHFFFAOYSA-N 415.534 2.000 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]21 2247826495 VDIFSLYUTSIFKM-JYAVWHMHSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@H]1CO 2247841850 XZNQPBQOVVDTFY-HRCADAONSA-N 420.315 1.307 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2247931147 DYPYMLHTNQQBKZ-YCRPNKLZSA-N 420.315 1.906 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1sccc1C#N)NC(=O)OCc1ccccc1 2258165223 DAYFNBRZVZLJMD-CQSZACIVSA-N 423.472 1.829 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2267357041 QGJFWQWMXCDUFG-MWLCHTKSSA-N 407.750 1.702 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2267364342 XXSOZEPSEAZPEC-UHFFFAOYSA-N 409.313 1.432 30 10 HDEE CN(Cc1csnn1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267367079 ONJRCAYCRMMQMY-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE N#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 2270537668 OBOKPNBBFIEXFF-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCO[C@@H]3C(N)=O)c2Cl)OC1(C)C 2281945009 RAEKXHPCKDACAJ-ONGXEEELSA-N 400.693 1.073 30 10 HDEE Cc1cc(S(=O)(=O)NCCCCN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282309462 FXIHHLCPVYTCIH-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CCNC[C@@H]3C4)cc2Cl)OC1(C)C 2282311118 DGYAUQZYOKFEFF-QFYYESIMSA-N 418.777 1.731 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314713 DHIVSCSAMYKHJK-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CCC(=O)NCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345208 GBXXJAXNLVRGCZ-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2(CO)CC2)OC1(C)C 2282500834 OGGBMSLBQULHSL-UHFFFAOYSA-N 401.721 1.690 30 10 HDEE C[C@H](CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1)S(N)(=O)=O 2282563500 GMULULQRYAOEBI-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CN(C[C@@H]1CCNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830515 VMUWFSZOXRVZMO-LLVKDONJSA-N 420.793 1.931 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]2[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282842960 GBLBIAZRMJAYIF-GXFFZTMASA-N 401.359 1.808 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848525 OKGZBVXKGZVLKW-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCSCC1 2282851872 IJINXVIKNGYJGF-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H]3CCN)c2)OC1(C)C 2282854216 OVCQACARQQNIKN-AWEZNQCLSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCS(=O)CC3)ccc2Cl)OC1(C)C 2282866004 BTSIPQHZBYEEAN-UHFFFAOYSA-N 419.761 1.392 30 10 HDEE CCN(CC)C1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282884634 QQMKIGKOQZATMB-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CC[C@H]3N)ccc2Cl)OC1(C)C 2287581036 VWHXTJTYDGMFRQ-IAQYHMDHSA-N 400.737 1.655 30 10 HDEE CC(C)(CN)OCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2295774793 AMBWRAIYANUMAN-UHFFFAOYSA-N 404.363 1.080 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(NCC#CBr)(C(=O)O)C2 2305996953 YGLAZIILKCATIM-VXGBXAGGSA-N 403.273 1.554 30 10 HDEE COCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc(O)cc1O 2331569507 JINNXRJXGBYZBI-UHFFFAOYSA-N 417.447 1.719 30 10 HDEE C[C@@H](C#N)N1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364019694 PAAOWQDGYLQAOV-QMMMGPOBSA-N 405.094 1.615 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2367786397 HSZMHGSPGQDOPT-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C 2367804891 XJYZPSUSLZKGQI-CABCVRRESA-N 413.565 1.748 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](N)C#CC1(S(C)(=O)=O)CCC1)C[C@H]1CCCO1 2367805200 ZGQRXUDOLZCRIZ-HZPDHXFCSA-N 400.541 1.701 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367811724 LEVFWWGDBNYUQI-JYJNAYRXSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2367820520 VTWOYPBHLCJTHX-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CC(C)[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2370742533 CQBWCMRGGHHJGM-UONOGXRCSA-N 401.359 1.827 30 10 HDEE Cc1ccc(CN(C)CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 7696547 UHGHLKQNXSFMMS-UHFFFAOYSA-N 416.503 1.425 30 10 HDEE COc1ccc(C#N)cc1NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 64533336 IVFLTFLSIPUGEI-FQEVSTJZSA-N 404.426 1.981 30 10 HDEE C=CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 169681659 WRDHXXQTBVFOMS-AEFFLSMTSA-N 410.430 1.993 30 10 HDEE Cn1ncc(C#N)c1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 170496879 UECFTWKTPDISRU-UHFFFAOYSA-N 410.390 1.995 30 10 HDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1C 248063895 FDHMNFFVQPFIFF-CMCWBKRRSA-N 402.450 1.940 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(N3CCNC3=O)CC2)ccc1C(F)(F)F 409546256 CKIPJLGYQFMRJD-UHFFFAOYSA-N 402.398 1.755 30 10 HDEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443315969 DAJNWOBSJJMYSY-UHFFFAOYSA-N 418.519 1.854 30 10 HDEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 464522872 ITPSYIKKLWKXBR-HIFRSBDPSA-N 400.522 1.693 30 10 HDEE CO[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[C@H]1C 467295918 WDLSADAMBFMYBJ-CRAIPNDOSA-N 413.478 1.812 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)[nH]c2c1 484007044 QPWNNXVJLHSCCG-UHFFFAOYSA-N 403.446 1.103 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2Oc2ccccc2)CC1 484759061 XWFPDDQXVZUWFD-SBHAEUEKSA-N 416.522 1.241 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 488273865 RFTCCEQHEPAGQV-WOJBJXKFSA-N 423.517 1.703 30 10 HDEE COc1cccc(OCCN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489723587 JNRPQQDDQBLTNO-UHFFFAOYSA-N 416.503 1.656 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 505965551 JGLBPUJJTXAOSK-SJORKVTESA-N 402.495 1.011 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(=O)(=O)CC)CC1 508816138 GMFFJZMBQPJIHH-UHFFFAOYSA-N 421.523 1.620 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@@H]2C1 509001406 MXIWWXJQONVHJY-INIZCTEOSA-N 403.508 1.055 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](S(=O)(=O)N(C)C)C1 511141389 WGVWEUBNENXTLK-STQMWFEESA-N 410.565 1.791 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)cc1 514307099 RUJFKVVXYRBUJY-GOSISDBHSA-N 423.538 1.523 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)c(C#N)c1 516332418 BFJYKESWABKNJE-UHFFFAOYSA-N 411.892 1.871 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cn2)c1=O 522241499 HYVYWVKOSGMPCL-UHFFFAOYSA-N 404.289 1.477 30 10 HDEE Cc1nnc(N(C)S(=O)(=O)c2cccc(S(=O)(=O)NC[C@@H](C)C#N)c2)s1 552423334 DQDPZRHWSNUWEW-JTQLQIEISA-N 415.522 1.110 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@H](CC)C1 555252361 LBMPHBWVMQOEJY-UONOGXRCSA-N 420.530 1.630 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CCC)C1 558964623 JYBAQKWBCPQNKJ-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE CSC[C@@](C)(C#N)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 569504255 UKSOCUFMTFVAIL-XJKSGUPXSA-N 400.526 1.454 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 583112578 WHDZFHUDPZXDMR-QAPCUYQASA-N 417.535 1.921 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCC[C@H](NC(=O)CC)C2)cc1 606062839 UFWHDIHVZXDTKU-INIZCTEOSA-N 401.467 1.450 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](c2ccccc2)N2CCOC2=O)CC1 728267172 XZKNEZOHCPULMB-SFHVURJKSA-N 400.479 1.016 30 10 HDEE C#CCN(C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)[C@H]1CCS(=O)(=O)C1 729334743 USEYYAWWGCSWTO-INIZCTEOSA-N 422.503 1.673 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C#N)c(Cl)c1 730145353 ZUBKOEPOALHIIK-MRXNPFEDSA-N 417.922 1.844 30 10 HDEE N#CCCN(C(=O)CCC(=O)OCCn1nc2ccccn2c1=O)c1ccccc1 731255113 SETUTTRADUBLLZ-UHFFFAOYSA-N 407.430 1.766 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@H]1CCCO1 732561266 JPVFUZNBNWPFKV-GOEBONIOSA-N 414.531 1.423 30 10 HDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 732649364 TXZJLVUCJQMEAB-BBRMVZONSA-N 402.882 1.900 30 10 HDEE N#C[C@@H]1CN(Cn2ncc(Br)c(Br)c2=O)CCN1C1CC1 732666616 ZYSCUACCDKFERF-SNVBAGLBSA-N 417.105 1.398 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CCN1C1CC1 732706166 HNPYECCFKFHEQK-OAHLLOKOSA-N 415.881 1.369 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CCN1C1CC1 732766058 MKUPJOCBOOHMER-LBPRGKRZSA-N 402.398 1.760 30 10 HDEE Cc1c(F)cccc1-c1ccc(C=c2sc(=C(C#N)C#N)n(CC(N)=O)c2=O)o1 734475790 QSKTXILSONIRHC-UHFFFAOYSA-N 408.414 1.129 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1c[nH]c2ccc(F)cc12 735062077 URFNNAHHIMFCOG-UHFFFAOYSA-N 400.435 1.704 30 10 HDEE COC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)c1ccc(C#N)cc1 740203768 LILCOLPIKWVWDY-QGZVFWFLSA-N 418.427 1.811 30 10 HDEE CC[C@H](C)NC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 743511244 DSFPKZFNZNZWFC-XEZPLFJOSA-N 415.519 1.929 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 743729383 ZCPWSXLFURCHEH-ZDUSSCGKSA-N 403.529 1.582 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 752302301 NUBBRVRNLBHMAQ-UHFFFAOYSA-N 417.531 1.767 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757596218 VDMDAOUDYGPGJN-GBJTYRQASA-N 410.540 1.809 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(OC)c1 760539019 RHCIKFCMUUFGTE-LBPRGKRZSA-N 422.322 1.269 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OC)c(O[C@H](C#N)CC)c2)C1 761690079 XPMJZSWBOFGAMK-CVEARBPZSA-N 403.483 1.979 30 10 HDEE C[C@H](CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[S@@](C)=O 765951188 IAPFWLVJNIHMLD-PHTGKAQKSA-N 414.553 1.778 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767745803 LWQFRSLARMDCBB-MQVJKMGUSA-N 421.494 1.754 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 773214610 YOCBSDIKJHHZRO-QUCCMNQESA-N 419.547 1.664 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl 779878054 YIAFTSNMVOCXEV-LLVKDONJSA-N 406.869 1.368 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 787062358 ZYDJCIGNWBHYFV-IEBWSBKVSA-N 420.425 1.969 30 10 HDEE COc1ccccc1C[C@H]1CCCN1C(=O)C(=O)NCCNc1ncccc1C#N 787759864 PNSOVZKWDKJZOP-GOSISDBHSA-N 407.474 1.724 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1 788819692 IXEHLXWDTRIJOO-UHFFFAOYSA-N 404.492 1.055 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)n1 790106008 LUMJZQFNPYDZRO-UHFFFAOYSA-N 413.869 1.498 30 10 HDEE C=CC[C@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CCCN1C(=O)OC(C)(C)C 790738843 KISPDWJZKPQPRH-YCRPNKLZSA-N 420.510 1.827 30 10 HDEE Cc1cc(C)nc(-n2cc(C(=O)NS(=O)(=O)CC3(C#N)CC3)c(C(C)C)n2)n1 793202682 AHIYGPKESAJBKJ-UHFFFAOYSA-N 402.480 1.766 30 10 HDEE CS(=O)(=O)CCOc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 799836966 LBJHFWYCLFLQEP-UHFFFAOYSA-N 407.492 1.495 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](CC(N)=O)C1 800775234 JKMRQGBIXDIZRC-QGZVFWFLSA-N 412.494 1.982 30 10 HDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)n1 807929604 LCNJGBHEEVIGDP-OAHLLOKOSA-N 402.455 1.755 30 10 HDEE C[C@]1(c2cccnc2Cl)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 808025099 BCYREYKEPNILSO-QGZVFWFLSA-N 419.850 1.243 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 811140989 YYRXVDOKJXWTAG-UHFFFAOYSA-N 418.475 1.723 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812267375 DSIBOHRCEUOBAY-SJLPKXTDSA-N 418.519 1.462 30 10 HDEE COCC1(c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)CCOCC1 815716712 JLCIYOGNLSAAOD-UHFFFAOYSA-N 420.491 1.436 30 10 HDEE Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@H]1CCN(O)C1=O 816693670 PPNJFAMPFVDHKE-KRWDZBQOSA-N 403.460 1.193 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)=NO1 816837654 BPIBEMUPSIKCCU-LSDHHAIUSA-N 415.450 1.603 30 10 HDEE CCOc1ccc(N2C(=O)c3ccc(C(=O)N[C@@H]4CCN(O)C4=O)cc3C2=O)cc1 820185236 KUTKTYWGYURXIN-QGZVFWFLSA-N 409.398 1.606 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856588601 ASJBRNXSYMWBQU-OAQYLSRUSA-N 423.517 1.792 30 10 HDEE C=CCc1cc(CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cc(OC)c1OC 1125544051 AITZKONTWOKCIF-UHFFFAOYSA-N 419.522 1.858 30 10 HDEE COC(=O)[C@@H](NC(=O)COc1cccc(Br)c1C#N)c1ccnn1C 1130105536 GRIBVOGEJLERDV-HNNXBMFYSA-N 407.224 1.464 30 10 HDEE N#Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)co1 1136476937 OZVMBXIAGVVTQM-UHFFFAOYSA-N 417.443 1.459 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN3C(=O)CCCC3=O)CC2=O)cc1Cl 1136911015 LEJHZANUJUTVEZ-CYBMUJFWSA-N 402.838 1.220 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1138748102 RLCFPBDHLRXXTC-QLFBSQMISA-N 416.544 1.408 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2cccnc2)cc1 1140070489 SJFLPOLBXONZFV-QGZVFWFLSA-N 401.488 1.740 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 1140626085 ASCPMCLXEQQRPG-LLVKDONJSA-N 413.219 1.324 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1OC 1141255736 YMHINIYIGVZJQW-UHFFFAOYSA-N 424.519 1.728 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(NS(=O)(=O)CC)CC2)c1 1141645851 SIZYPKXPPBHUBQ-UHFFFAOYSA-N 412.533 1.028 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCOC[C@H]3C#N)nn2)CC1 1146516429 CXHXFFUODNOSLF-HUUCEWRRSA-N 404.471 1.605 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1152166865 TXMOVNXPFJCGJJ-OAQYLSRUSA-N 419.478 1.557 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1cccc(Cl)c1 1154068806 CZCONKDOTNRBQH-GUYCJALGSA-N 421.906 1.598 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1155872697 CYNKZNFIZZAJDZ-UHFFFAOYSA-N 424.954 1.350 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H](NC1CC1)C(F)(F)F 1161891529 WFYKOFPDSSIMEV-NHYWBVRUSA-N 418.441 1.414 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](O)C[C@@]1(C)CO 1167396792 GSBWHAJPMVJQPU-PXAZEXFGSA-N 413.268 1.442 30 10 HDEE C#Cc1cncc(C(=O)N2CCC[C@H](n3nncc3I)C2)c1 1175732007 GSPKDXKTOIHBFF-ZDUSSCGKSA-N 407.215 1.736 30 10 HDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)OCC 1176173552 VEHOUBSFCGAHRC-HNNXBMFYSA-N 404.435 1.647 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2c(Br)cccc2C#N)CC1 1185290814 NOHPZSGLIZBPEB-CQSZACIVSA-N 409.328 1.984 30 10 HDEE CN(C)S(=O)(=O)c1ccc(OCCn2cc3c(c(C#N)c2=O)CCCC3)cc1 1189432506 HESICJLPOUUTMV-UHFFFAOYSA-N 401.488 1.928 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1207882185 JNMIGPDEQPHSEN-UHFFFAOYSA-N 408.476 1.502 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1255069507 GAFRVVVJHSKUKJ-IAGOWNOFSA-N 404.511 1.270 30 10 HDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1256489272 UFPXNVAFEQLARW-LSDHHAIUSA-N 401.467 1.987 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2ncc(Cl)n2C)CC1 1270326531 ZPMLYXPCWQNNFR-SUFIHLRJSA-N 402.926 1.923 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1286290650 UIZUVVLVSXIPLB-ZDUSSCGKSA-N 403.450 1.712 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(C)nc1-c1ccccc1 1286375920 AECWCFNIUNWXCP-QGZVFWFLSA-N 424.530 1.698 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286391254 CAEOLQJMDNDIBV-QZTJIDSGSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)NC 1286404063 QGEBFEVKZPYWER-UHFFFAOYSA-N 408.487 1.115 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1286478771 KNCVISPUYXGSPR-NRFANRHFSA-N 408.550 1.497 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1286496366 CHUYDTWJPQBRNN-PKOBYXMFSA-N 418.611 1.770 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)C[C@@H](C)C(=O)NC 1286784440 HMZGDHWQWBOAQV-OAHLLOKOSA-N 421.505 1.614 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1286960585 HRKBSVMBZCCAEJ-VWKPWSFCSA-N 418.542 1.829 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1288999589 OZDDQDWHNKSWON-MSOLQXFVSA-N 424.505 1.543 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1289742349 QHDJUPAWMXNQKE-VFCRVFHLSA-N 424.494 1.753 30 10 HDEE CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1292842279 JOSJTIAYCATCIV-CZIZESTLSA-N 424.509 1.917 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)c1 1299737554 XEPIHHYCLNVSHE-SECBINFHSA-N 402.354 1.491 30 10 HDEE C#CCCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OCC)CCOC1 1300375972 DHLKZSVLNRZLLN-QFIPXVFZSA-N 415.538 1.840 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1300409815 JZZISMCUHPGSQZ-SJLPKXTDSA-N 416.551 1.396 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1300643053 GHUQEYZEPAXRMZ-KKSFZXQISA-N 400.479 1.865 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)NC(C)C)CC1 1300701478 VJAYUSWTEPTJHZ-UHFFFAOYSA-N 408.550 1.847 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCC(C)CC2)CC1 1300719779 PTIURYBPTPQJKR-UHFFFAOYSA-N 423.565 1.971 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301223638 ZXLBGPKVTGSKGH-HRCADAONSA-N 407.540 1.203 30 10 HDEE Cc1ccc(C(=O)N2CCOc3cc(F)ccc3C2)cc1S(=O)(=O)NCC#N 1301831766 YEVZIIWVWGPNSA-UHFFFAOYSA-N 403.435 1.971 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1302193066 GNMMFEXSXFZAPQ-OAHLLOKOSA-N 416.482 1.419 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1303686473 JHLFUCPGWNRQNH-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1310260776 YINXPVWGLIUATF-QGZVFWFLSA-N 404.536 1.890 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1313191146 QNFUSSQBTJKMQU-IIBYNOLFSA-N 409.534 1.800 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CCOc3cccc(OC)c3)CC2)C1 1313293368 ZDEFDJFRAQJTGH-IBGZPJMESA-N 400.523 1.499 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1314966833 VIGGFPGELQBFRO-FGZHOGPDSA-N 424.505 1.585 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCC1(O)CCOCC1 1316100868 BTIYHBPYHXQAJD-QGZVFWFLSA-N 407.515 1.470 30 10 HDEE C=CCO[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1325227019 BSJUDGHOXUNOJS-WMZOPIPTSA-N 423.535 1.311 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1 1354819257 WAVIQRCOXRWZOZ-VDWHKPSJSA-N 401.492 1.975 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ncccc2S(C)(=O)=O)cc1 1355506507 GCTPFIROVBMLPN-UHFFFAOYSA-N 409.489 1.544 30 10 HDEE CC(C)NC(=O)CN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1355755594 ZWBPRQKXJVYNCC-KRWDZBQOSA-N 423.558 1.632 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358885852 SGGXOXICZCJYNY-HOCLYGCPSA-N 423.443 1.846 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358931724 KSSWPCSDVYMUKD-INIZCTEOSA-N 419.526 1.892 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)(C)C 1358938649 HEOZOIOCXJYVEN-ARFHVFGLSA-N 411.572 1.799 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1OC(F)F)[C@H]1CCS(=O)(=O)C1 1358956452 GFSVBNJRNXBSMX-HNNXBMFYSA-N 410.446 1.863 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359031410 ANKQCCDBWUUPAA-HTAPYJJXSA-N 411.506 1.249 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359054729 FEKCLFKWZTVIQJ-SJORKVTESA-N 400.508 1.486 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1359072355 ZISRJYQRCMSSLK-OAQYLSRUSA-N 404.478 1.409 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1359107737 UGFXVOOCLYLWRG-QWHCGFSZSA-N 407.487 1.715 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359229152 ABRMMGICLLBARU-UWJYYQICSA-N 421.542 1.580 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1359280332 MVLHQLZGZRAFGT-OAQYLSRUSA-N 401.511 1.659 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N(C)C 1359281574 DMSCMGQXIYJRMU-QGZVFWFLSA-N 401.467 1.518 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCOC2)C1 1359302528 KJJLLKWCFOSLLE-LJQANCHMSA-N 402.524 1.553 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1359303153 FVJBWYMBJIABJR-UHFFFAOYSA-N 407.478 1.211 30 10 HDEE C[C@@H]1CC2(CCOCC2)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1452149771 DKWHCTQFPVWDMB-OAHLLOKOSA-N 405.520 1.923 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 1452248393 NZZAVIPVLMOBGJ-SFHVURJKSA-N 420.263 1.702 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2CSCc3ccc(Br)cc32)c(=O)nc1O 1452980431 ZJHBCQIXEKHCRS-ZDUSSCGKSA-N 421.276 1.687 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccccc2NC(=O)c2ccsc2)c(=O)nc1O 1453826160 FMTAWEGOWOSQPO-UHFFFAOYSA-N 409.427 1.564 30 10 HDEE CN(C)C(=O)Cn1nc2n(c1=O)CCN(c1cc(C(F)(F)F)c(F)cc1C#N)C2 1458322281 ZAHIUOUCMWBEPM-UHFFFAOYSA-N 412.347 1.183 30 10 HDEE Nc1nc(N2CCCC[C@H]2C(=O)NCC(F)F)nc(C(F)(F)C(F)(F)F)n1 1458376868 BSIUZMFOZSLTPT-LURJTMIESA-N 404.290 1.848 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc(C#N)cn3)cc2)C[C@H](C)O1 1459040266 KJVSDPUWHZDUNH-KBPBESRZSA-N 403.464 1.191 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 1464776156 MKMOFDJXJLOZRU-HNAYVOBHSA-N 419.445 1.138 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NN2CCc3ccccc3C2=O)s1 1466336201 RAUPSKJOQFQKKZ-UHFFFAOYSA-N 405.501 1.485 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](OCCO)C3)C2)C1 1466896963 COIGACFUGBOKJR-GWWPLSDWSA-N 407.511 1.773 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 1470956658 LLKYWTUQSZEMSW-AEFFLSMTSA-N 404.486 1.908 30 10 HDEE N#Cc1cccc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 1474315053 AGAYNZIXIYYICP-UHFFFAOYSA-N 400.460 1.231 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C1CCOCC1 1475515200 PCIMHWZAOVGKLT-OAHLLOKOSA-N 416.293 1.942 30 10 HDEE C#CC1(O)CN(C(=O)NCC(C)(C)S(=O)(=O)c2ccc(Br)cc2)C1 1477900992 GUKDZRDFAGJDKT-UHFFFAOYSA-N 415.309 1.391 30 10 HDEE C[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1494170475 LIISXOIIXSBYPH-VUAZUDAXSA-N 402.499 1.717 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(C)(C)N1CCOCC1 1499145042 BRFCLQANMYYVOW-UHFFFAOYSA-N 424.553 1.545 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCCCCO)CCO1 1505321635 CZNKORKFHDXJLJ-CQSZACIVSA-N 402.455 1.287 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CC 1507523605 NNELLVGOQZPFEO-LPHOPBHVSA-N 405.510 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1507523801 PSEXTYOFWSHTCO-CQSZACIVSA-N 423.477 1.631 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CC(=O)NCC=C)c1 1507551731 YNLBVOXTWSILFL-UHFFFAOYSA-N 408.506 1.835 30 10 HDEE C#CCCCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507554587 USFJLOBGYUBWNZ-UHFFFAOYSA-N 400.527 1.476 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1507617023 QIUCVKAKNMLZLL-AUUYWEPGSA-N 422.938 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCCS1 1507668878 DWKUXIRGDHBVFO-QFBILLFUSA-N 406.577 1.929 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1507710761 KLCVNOKTBOIGSF-HUUCEWRRSA-N 423.564 1.526 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(CCOC)C(=O)C1 1507748487 PIZAIZONLJETPW-UHFFFAOYSA-N 413.547 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nc(C)no1 1507765346 RWBXTLBHRWXAJL-SCLBCKFNSA-N 421.527 1.205 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1507966715 BIOWYJCCAXSAKR-BBWFWOEESA-N 405.499 1.206 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1508018414 DVOAKNHHHWLZAU-AWEZNQCLSA-N 406.512 1.547 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)COCCO1 1510343154 BPAINBAJHJHKLX-JTSKRJEESA-N 424.505 1.714 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C)nn2CC(=O)OCC)ccc1F 1527082258 OQQCULIBSBJHTP-UHFFFAOYSA-N 424.454 1.610 30 10 HDEE CCOC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538539789 MHLLXAUHOWDLMG-GTNSWQLSSA-N 411.867 1.919 30 10 HDEE CCc1nc(COc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)no1 1538760776 GDXXJNDAKBYAKD-IFXJQAMLSA-N 416.459 1.221 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539090167 YHYRDWBTPGIVNI-HNNXBMFYSA-N 404.515 1.887 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1539186876 KVLLEZCJIPKBGQ-UHFFFAOYSA-N 412.519 1.411 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539368974 GCVGXMYCVLSZEP-BZSNNMDCSA-N 415.517 1.588 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CC(=O)N1CCOCC1 1539382697 OJDBJRZFOMBIBJ-UHFFFAOYSA-N 401.442 1.315 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1539533213 MCKOVXLRUJBQOT-ZWKOTPCHSA-N 416.551 1.906 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539630236 DIZOJZPSXVPZJU-MTNOOBJLSA-N 404.511 1.887 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1539633590 ZNWWWYOBMBULNL-KURKYZTESA-N 403.527 1.855 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1540875972 CZAPLBKNDBHZOB-HNAYVOBHSA-N 409.556 1.564 30 10 HDEE Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)n[nH]1 1542161965 YONWXDZUSLACJD-QJOMJCCJSA-N 404.496 1.887 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1554577216 GJLQFPKZGKKFET-AEFFLSMTSA-N 424.505 1.869 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1555386762 OGGZNSVGAQKRMJ-RTBURBONSA-N 413.478 1.474 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1555798554 GJRIIKLLNMANFY-SFHVURJKSA-N 413.503 1.787 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)cn1 1556465588 NLUBYZWYDYTVKN-LUKYLMHMSA-N 416.478 1.320 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1557721517 POCFUYDCXVWTHB-AWEZNQCLSA-N 414.487 1.154 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2sc(Br)cc2C)CC1 1561505289 DESBDEFQBSPIFE-UHFFFAOYSA-N 405.339 1.969 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)[C@H](C#N)C1 1564530732 HXLQBJWPDYVTQN-GZOSKZMVSA-N 416.478 1.787 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[C@@H]1CCCO1 1567814335 GRYCZXRXUSIXLP-RYUDHWBXSA-N 421.700 1.661 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 1568932420 DQOBTIVCKLXQET-HNNXBMFYSA-N 409.483 1.450 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 1570300486 PGPYNVWYOLHNEE-SGTLLEGYSA-N 414.443 1.089 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 1584578531 RRHSKJWAMGSDAP-CABCVRRESA-N 403.545 1.728 30 10 HDEE C=CCCn1cc(C(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)nn1 1586143895 YPEDGDJRBRZSNO-HNNXBMFYSA-N 403.508 1.912 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1586367741 DISSBUPUMRYONS-VFCRVFHLSA-N 422.478 1.200 30 10 HDEE CCc1nnc(S)n1CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1586429785 RVJUPMRUKXGGNN-UHFFFAOYSA-N 407.540 1.896 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587856805 RYUNALOFWHNAGZ-MOPGFXCFSA-N 414.554 1.328 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1587861181 HTAIIPGLYGFRJE-QFBILLFUSA-N 409.556 1.651 30 10 HDEE C#CCCCn1c(N2CCCN(CCC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1587893735 HQIMPEYHDLZFKI-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1588314829 RWRLLRUKOIRQKD-UHFFFAOYSA-N 400.464 1.098 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1594144029 VPCBSYFMKKRBES-ULQDDVLXSA-N 410.540 1.593 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1595523285 RYJQOUMMCDOTAL-GOSISDBHSA-N 406.494 1.989 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1596063707 GPSWRAWXBOXOEP-HNAYVOBHSA-N 400.462 1.379 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1596830516 CDIUFBBCIMERJO-PBHICJAKSA-N 419.507 1.821 30 10 HDEE C[C@@H]1CN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1610963013 IORSENVYVGUNLR-BAQZJKQNSA-N 406.527 1.610 30 10 HDEE CN(C)[C@H]1C[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1611306083 AONWUGGZQARMMR-MAEOIBBWSA-N 404.536 1.415 30 10 HDEE Cc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612571783 KXUIWVMOXYQTJP-YPKPFQOOSA-N 414.388 1.007 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1619210779 IXVXSIBOSPFQMC-RTBURBONSA-N 413.478 1.878 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@]2(O)CCSC2)c1 1620347774 CGSPQQHDMQPGGO-HXUWFJFHSA-N 412.519 1.386 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](CNS(C)(=O)=O)C3)c2C#N)C1 1620561551 ACSDCOCKEWGAGZ-KGLIPLIRSA-N 424.592 1.944 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC2(CC1)C[C@H](O)CNC2=O 1620636693 HYGCICLDYFFRRE-IRXDYDNUSA-N 414.506 1.293 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)CC1 1622067125 BDYSNYGUNSJMKP-HNNXBMFYSA-N 417.531 1.697 30 10 HDEE COc1ccccc1[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1624290690 CRXPPKCASDFVBI-KRWDZBQOSA-N 415.471 1.334 30 10 HDEE CO[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCOC1 1624381570 WHLIYSWVGDMYMW-FZKQIMNGSA-N 401.442 1.566 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2ccc(C#N)cc2)C1 1625807736 KHDXDXGQGPKPIO-KRWDZBQOSA-N 421.519 1.641 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1626046815 OJBKBMYNKHKOKF-KRWDZBQOSA-N 402.495 1.643 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1626245758 ANTWGRUYMWDWCN-DOTOQJQBSA-N 424.542 1.287 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 1629060403 LZDAIFXAHXDYRO-UHFFFAOYSA-N 405.451 1.046 30 10 HDEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 1630034130 HDIVEAIXIUAJQI-UHFFFAOYSA-N 407.492 1.224 30 10 HDEE C[C@@H](O)c1cn(C2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)nn1 1633580584 FNAHGMGAAMXFTJ-HIFRSBDPSA-N 406.487 1.692 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1637389319 GABGLCIIIZFOQC-QNOZYLDQSA-N 422.522 1.967 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cs1)C(N)=O 1637909094 MNUBHBWIHMIUOF-LBPRGKRZSA-N 416.532 1.267 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1639839914 GLRHRNCCHJVMNF-GOSISDBHSA-N 418.540 1.999 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cs1)C(N)=O 1639961535 DKNGWPDWTNATTL-ABAIWWIYSA-N 404.517 1.715 30 10 HDEE N#Cc1cc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)ccn1 1640005774 PGMSWDZDRFTOSB-UHFFFAOYSA-N 416.459 1.099 30 10 HDEE COc1cc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)ccc1C#N 1640206723 RJZVTUOLYFOKJJ-INIZCTEOSA-N 423.878 1.176 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645269763 DWPOFHQWIMRBFZ-AHIWAGSCSA-N 417.915 1.419 30 10 HDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nc(C(F)(F)F)n[nH]1 1645532757 ASHXDJMNPNDBSS-ZETCQYMHSA-N 405.333 1.751 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1648119584 PANJYWYNDAFOKU-OAQYLSRUSA-N 416.478 1.166 30 10 HDEE COc1cc2ncn(CCCC(=O)NCC#C[C@H]3CCCCO3)c(=O)c2cc1OC 1648586319 JABCDSVDGIGNQU-MRXNPFEDSA-N 413.474 1.883 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC2(CCNC(=O)O2)C1 1653007986 KWQQTAGIHAAGJF-UHFFFAOYSA-N 424.251 1.809 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)c1 1654643144 DUAMDBLFDIIFJS-SFHVURJKSA-N 418.519 1.134 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OC)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1660152019 MBTUAZGKJZOYCH-SFHVURJKSA-N 409.527 1.635 30 10 HDEE COC(=O)c1c[nH]nc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1670068241 CZOUCZYBVYXPOB-UHFFFAOYSA-N 403.464 1.011 30 10 HDEE C=CCN(C(=O)Nc1ccc2cnn(CC(=O)OC)c2c1)[C@@H]1CCS(=O)(=O)C1 1674668025 UXOCOFMRAJJXMU-OAHLLOKOSA-N 406.464 1.416 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCO2)c1 1683847653 XSOGPQUXFMHEEH-CQSZACIVSA-N 405.398 1.618 30 10 HDEE C=C(C)CCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1686527330 CZRFWGMLGJUFSP-UHFFFAOYSA-N 401.510 1.517 30 10 HDEE C#C[C@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(Cl)cc1F 1686922747 OYSKKZHQMDUPJL-WFASDCNBSA-N 403.863 1.113 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1687321641 JMHVJJMKQZNIKH-FZWBFHRNSA-N 403.523 1.236 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)OC2=O 1687665821 SRJVXJYJBNRUCP-XOBRGWDASA-N 424.473 1.966 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)Nc1ccc(F)cc1 1689947800 LTCDINSSCUEDGR-FQEVSTJZSA-N 401.442 1.777 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1689959937 RQNGJSRPXZLDGF-UHFFFAOYSA-N 413.507 1.140 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)CCCO2)CC1 1690113451 KAIRWGHSOKUPAE-LEWJYISDSA-N 403.527 1.255 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)OCC(C)C)CC1 1690725715 ZMHNEJLSBSQHGU-UHFFFAOYSA-N 413.544 1.356 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1691008680 KUUBQTPDKRRZHF-DJJJIMSYSA-N 415.523 1.344 30 10 HDEE CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1696607747 NJNWEYZRWRHDGP-HNNXBMFYSA-N 408.441 1.717 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ccnn1C 1702983616 VJERYUVCRFYCQO-RFSOPEBBSA-N 402.495 1.166 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1705568936 AZGJFMTXNWWODB-SFHVURJKSA-N 416.551 1.419 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCCCC2)CC1 1705637793 LXZXLHQGZYLUBX-UHFFFAOYSA-N 410.570 1.698 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705736736 BALBONGRNXIFPD-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 1705889959 NYICKKWCNCKSSB-HOTGVXAUSA-N 409.494 1.974 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705890772 HXAUJMNYRJGRDY-MJBXVCDLSA-N 419.498 1.525 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCSCC2)C1 1705914436 MVRWMOKOUQNIGT-INIZCTEOSA-N 408.572 1.246 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1706069634 AZTRYEOLPSENRP-VIFPVBQESA-N 422.316 1.937 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1706463399 UIRVZTDPALVUAT-HXUWFJFHSA-N 403.531 1.661 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1708487263 SGYNIZYSGORKDX-LMPADWOJSA-N 415.498 1.020 30 10 HDEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)cn1 1710179564 OVLDDUJTMNLWKT-GOSISDBHSA-N 404.478 1.948 30 10 HDEE CNC(=O)c1cccc(CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)c1 1711330647 GTGIJKYSCMUJBK-KRWDZBQOSA-N 405.462 1.604 30 10 HDEE COCCOc1ncccc1Cn1c(N2CCO[C@H](C#N)C2)nnc1C(C)(C)C 1712584484 YFTNFFSXETZSCX-MRXNPFEDSA-N 400.483 1.773 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H]4C[C@H]3CO4)n2CCOCCCO)cc1 1712881041 VLPFAEPJLHATMF-HKUYNNGSSA-N 413.478 1.495 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1722288873 IXEYEUUCODDODI-MRXNPFEDSA-N 406.494 1.416 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1722374422 VGBZKCAKYHHXHN-QFIPXVFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1722381581 DTYZGYFGFIDATQ-MRXNPFEDSA-N 417.560 1.531 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1722429445 RCMRIBDLVXGPOC-RCCFBDPRSA-N 422.551 1.247 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722523142 CMZYLOPRFGSHFQ-KRWDZBQOSA-N 411.510 1.569 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1722705553 DOSZGZLRBSLZHD-OAHLLOKOSA-N 406.531 1.248 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1722728710 XIHUBIZXWBEMLH-INIZCTEOSA-N 423.583 1.887 30 10 HDEE C[C@H]1COCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1726749346 SQPLSWUKCCCDTM-DNZUHHBVSA-N 402.499 1.618 30 10 HDEE CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729724810 YMJFNVNVLGHFAQ-IXDOHACOSA-N 407.478 1.109 30 10 HDEE CO[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1729826019 GWVOUZSGAYHZNT-INIZCTEOSA-N 411.510 1.649 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740575568 OXFQPRSPNLOHBF-LJQANCHMSA-N 414.554 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)[C@H](C)CC 1740645882 MYXRYAREEDPPGS-JTDSTZFVSA-N 409.556 1.148 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@]1(C)CN(C2CC2)C1=O 1740683588 AZGMIIXUABOHQE-QFIPXVFZSA-N 408.506 1.745 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740759764 DSZMYZGZKYEVBQ-TWMKSMIVSA-N 410.540 1.387 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1740774317 QLCIJBPFTMZSTD-HUUCEWRRSA-N 417.601 1.765 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740801018 MQSRPMAKUOFRDG-CVEARBPZSA-N 410.950 1.716 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)CC1 1740825720 SJXORFMYUGZLIM-OAHLLOKOSA-N 409.556 1.499 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1740894134 JUUIAUYDZTWISN-UHFFFAOYSA-N 412.537 1.406 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OCC)CC1 1740958025 HFAFRIVZBNQUPI-HNNXBMFYSA-N 406.487 1.100 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@H](COC)C1 1740989145 BEJBVNOCMQPBIL-KRWDZBQOSA-N 406.508 1.398 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCOC2(CCC2)C1 1740990938 KFRGLCNGKIFKLW-INIZCTEOSA-N 410.540 1.880 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1746683681 KMQKMNZRQGHHEN-NHCUHLMSSA-N 416.526 1.539 30 10 HDEE CN(Cc1nccs1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747805184 GMYHJINKGJOINE-ISLYRVAYSA-N 413.507 1.850 30 10 HDEE Cn1cc(-c2nnc(N3C[C@@H](C#N)[C@H](c4ccccc4)C3)n2CCOCCCO)cn1 1748012788 JAJVXJRGXVDDJV-QUCCMNQESA-N 421.505 1.821 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1748667605 XAVSJQZASCFVDA-RXSFTSLZSA-N 408.462 1.592 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2CC)CC1 1749019109 LILZPAVCALRONM-SFHVURJKSA-N 402.543 1.265 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1749038880 MKSKXWOLZSUPFH-IRXDYDNUSA-N 405.568 1.889 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C)C1CC1 1749508508 SKIFIQNCLZBUOM-ZBSNKRKSSA-N 417.601 1.590 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1F 1749650000 GQCHDORHQLTWCV-UHFFFAOYSA-N 400.458 1.592 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@@H]2CO)C1 1750380684 WZDARMLLEDGEPO-OXQOHEQNSA-N 414.489 1.414 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CC2CCS(=O)(=O)CC2)CC1 1750386496 HLQFPIJPYYGRBH-UHFFFAOYSA-N 414.535 1.829 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1750904873 QTWATZMAYHCGBO-JOCHJYFZSA-N 407.522 1.825 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)NC(C)C 1751940846 BJBHWNHFCGGGGV-MSOLQXFVSA-N 402.524 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN(C)CC(F)(F)F 1760208833 KQOMKCSLBVCSHT-UHFFFAOYSA-N 410.444 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCC2CC2)CC1 1760266805 MUTJMKQLDZOFDL-UHFFFAOYSA-N 424.505 1.339 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccn2)CC1 1760279450 DLNVAMVYQSGWIT-UHFFFAOYSA-N 407.507 1.218 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1 1760324305 JLTNRAOKVDCSPL-VQIMIIECSA-N 416.526 1.083 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760346443 ZYTDQJNFESOWSB-ZIAGYGMSSA-N 408.484 1.026 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1760368464 CMPZJWUKKOARER-CYBMUJFWSA-N 423.926 1.768 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(=O)(=O)CC)CC1 1760392423 PLLDIRFUCQWRCA-UHFFFAOYSA-N 423.564 1.861 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1760464474 IFFUYIPBJYLDMX-CQSZACIVSA-N 401.508 1.516 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760510470 ZRWRSDONAPHETM-KBPBESRZSA-N 422.511 1.451 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1760543762 VKYAELHUWMZAAI-WMZOPIPTSA-N 417.514 1.128 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](OCC(C)C)C1 1760555540 HVLCXOPWERENOM-DLBZAZTESA-N 412.556 1.634 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1760609744 QKXXADAIAJENRO-FQEVSTJZSA-N 424.505 1.681 30 10 HDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1766869626 DIRNFSIFXAFBRD-JKSUJKDBSA-N 412.560 1.440 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1769322353 GCVRCHSAKJUTFE-UONOGXRCSA-N 418.523 1.211 30 10 HDEE COCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771053608 DLXJZYYAOGZTBV-KRWDZBQOSA-N 401.540 1.847 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1771350682 XRDGXURDIHSIDI-QGZVFWFLSA-N 412.475 1.400 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccco2)CCO1 1771538893 JFBVMECLVMOIBU-HNNXBMFYSA-N 412.475 1.682 30 10 HDEE CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789897 GZKLANJELXCMQM-QGZVFWFLSA-N 407.382 1.939 30 10 HDEE Cn1cc(C#CCNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)cn1 1850447066 JYQSPWMCHPXYOE-UHFFFAOYSA-N 414.429 1.710 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(c2ccc(-c3nc(C)no3)cn2)C1)[C@H]1CCN(C)C1=O 1850971427 CKPRKIGUWBFBPU-MSOLQXFVSA-N 424.505 1.902 30 10 HDEE C#Cc1cc(C(F)(F)F)cnc1NC(=O)[C@H](C(C)C)N1CCS(=O)(=O)CC1 1851739357 RQAITHPGMQIGSH-AWEZNQCLSA-N 403.426 1.775 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CNC(=O)c2ccc(F)cc2)CC1 1852129316 MKFGANZVHSJMAK-UHFFFAOYSA-N 411.437 1.188 30 10 HDEE COc1cccc(C(=NOCCF)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 1853491281 HVZHNBCHPJUZLB-UHFFFAOYSA-N 407.423 1.816 30 10 HDEE C=C(C)CN1CCN(C(=O)Cn2nnc3ccccc3c2=O)C(=O)C12CCCCC2 1853695215 LWBJSGMSQJSFQN-UHFFFAOYSA-N 409.490 1.741 30 10 HDEE COc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c(OC)c1 1853869202 XNZRXCBNDOLIJG-UHFFFAOYSA-N 407.426 1.743 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854453723 FETKBQOEYVGXAI-MRXNPFEDSA-N 419.503 1.656 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@@H]1C 1854725874 KQJJTEADLIUBCI-MAUKXSAKSA-N 423.510 1.614 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccnc(-c4cccnc4)c3)C(=O)C2)C1 1855028227 TVWZDFYRSOHRBQ-IBGZPJMESA-N 404.474 1.416 30 10 HDEE Cc1ccc(N2CCN([C@@H]3CCN(C(=O)c4ccc(C)c(C#N)c4)C3=O)CC2)nn1 1855396898 MQZHDDFFEYJQKP-LJQANCHMSA-N 404.474 1.528 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CC(F)(F)OC(F)(F)C3)C2=O)ccn1 1855662425 WHAJUEJNDJDCDQ-CYBMUJFWSA-N 400.332 1.992 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN4C(=O)CC[C@@]43C)ccc21 1855877493 LCMCXIXOLQWYIQ-FQEVSTJZSA-N 417.487 1.411 30 10 HDEE CN(C)C(=O)[C@H](c1ccccc1)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1856013561 WBLDWLUPECWGAO-QFIPXVFZSA-N 404.470 1.601 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccccc2Cl)C1)C1CN(c2nccnc2C#N)C1 1856231856 JTYQHCGJDLKIOJ-AWEZNQCLSA-N 424.892 1.811 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCCC2 1856298763 MMFKYNGJVRDSCJ-QGZVFWFLSA-N 403.523 1.574 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCC(Cc4ccccn4)CC3)C2=O)CC1=O 1856878167 FZXSJGOABYQLIZ-QUCCMNQESA-N 410.518 1.498 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccnc2OCC)C1)[C@@H]1CCN(C)C1=O 1857055427 FDEVRRHGSJSRFQ-SJLPKXTDSA-N 414.506 1.578 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1857071908 WBENHPJAVPRDCW-SJLPKXTDSA-N 407.478 1.051 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1857237067 UFTZVQUNJDWTRF-CRAIPNDOSA-N 419.909 1.813 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)CC2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1857386561 OPQIPDXGBGYNBB-QGZVFWFLSA-N 410.522 1.814 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(CC)nn2C 1864323360 JGSHMMYVMZMNJW-CXAGYDPISA-N 412.490 1.739 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2CCC 1873549385 KCHMMINUUGXDAE-UHFFFAOYSA-N 412.538 1.770 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2F)CC1=O 1874338533 UEHBIMILKGWPBI-OOMAIKSQSA-N 404.471 1.601 30 10 HDEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 1874432727 UKZJSOIASHLSAQ-ZVBGSRNCSA-N 420.495 1.171 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc([C@@H]3CCCO3)n2N)nc1C 1874544626 FRCKKGXFICZNGU-JTQLQIEISA-N 424.508 1.682 30 10 HDEE C#CCN(CC(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2016653953 OZUVFDAZIDDPQT-QGZVFWFLSA-N 402.394 1.541 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)CC2(C#N)CCCCC2)C1 2168120017 QVAYVDZIFQZAGC-CABCVRRESA-N 401.529 1.750 30 10 HDEE COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCCC1 2174778934 CUTJZDZTAPVCPO-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CC1 2174789110 MOUBSINNRXPCGB-OCCSQVGLSA-N 415.537 1.906 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C(=O)O 2251468248 KHHLRRXRVADFJH-CQSZACIVSA-N 424.303 1.886 30 10 HDEE C=CCN(CC1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258164786 XSCJJQYXBJEYBP-QGZVFWFLSA-N 410.492 1.682 30 10 HDEE CCNCCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356161 XHOLITXDBYLBER-UHFFFAOYSA-N 408.782 1.931 30 10 HDEE Cn1ccc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282304945 REICBIKUNLBVMD-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@H]1CCSCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334763 GFTOLKYSOKTVIR-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](C(F)F)CC2=O)OC1(C)C 2282334899 HYEUWXBEFRIVMI-SECBINFHSA-N 407.269 1.850 30 10 HDEE CO[C@@H]1CC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495291 KKJJTZBPXFIXHO-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE C[C@@H]1CCNC[C@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502859 QPKJJPDEIBSDFD-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE Cc1nc(C(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282520976 UWOJBNITUUHCNN-FAXRNKGOSA-N 400.246 1.217 30 10 HDEE Cc1c(C(=O)N2CCCC[C@@H]2C2OCCO2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282563372 DQFDIULUCTXYKM-CQSZACIVSA-N 405.304 1.395 30 10 HDEE C[C@H]1CNC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854686 UZDQKWKNCWEYRH-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE C[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282874264 YBFHRGUQWDRJOB-ABAIWWIYSA-N 401.721 1.783 30 10 HDEE C=CC12CC(CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2326729508 RNWNVQGXMORPGP-KOHRHEQBSA-N 408.476 1.736 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2342044247 MAXSJPOEDUQBFD-ZIAGYGMSSA-N 406.485 1.671 30 10 HDEE CN[C@H](C#CC1(OC)CCCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363621526 RRMUIYMSFGJCEI-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2([C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365187707 CTEICZHZBZOTSL-CLCXKQKWSA-N 401.525 1.448 30 10 HDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365195731 DZJDUJGYIXKZMT-SPYBWZPUSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365196187 JTBUYNBUSZKWMD-KUHUBIRLSA-N 402.557 1.681 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2365199952 UBBPGAVIEFQWKK-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367789003 QZJHWWOGXWLNSN-ARFHVFGLSA-N 401.525 1.780 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2367804370 SBFAEXCCOKZNAZ-HRCADAONSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367820359 QWPYIZXHCJTOLB-PMPSAXMXSA-N 400.541 1.163 30 10 HDEE CCOC(=O)NS(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369955977 BJDFWYRDWDOLJZ-UHFFFAOYSA-N 424.737 1.781 30 10 HDEE N#Cc1ccc(OCCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 16519776 HKNHTIXQSQIIEZ-UHFFFAOYSA-N 416.459 1.852 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)n1 20827731 YMGFAAWRXAWPAQ-HAVNEIBRSA-N 420.528 1.711 30 10 HDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 71530646 VELHCACSCCPQPC-NSHDSACASA-N 415.518 1.872 30 10 HDEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 96965949 GQNBZNAZKPBGEJ-KRWDZBQOSA-N 418.563 1.632 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)CC1 111224035 LEFFIQPIYKXAOT-AQDCRGGLSA-N 416.547 1.932 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1Br)C(=O)O 161260287 XYRDYHJVSGGLKO-SECBINFHSA-N 411.071 1.966 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1C#N 170493456 YGIVMRAGTPBTOP-LLVKDONJSA-N 411.370 1.967 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 238896514 RCGNMTHVPYZZCE-OAHLLOKOSA-N 419.441 1.794 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 409519379 GAIRYMHOEGGBEB-UHFFFAOYSA-N 420.457 1.934 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N 428075427 KCUKZDORICDSKG-GHMZBOCLSA-N 404.492 1.739 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnc(O)n(C)c3=O)c2)c1 435142818 JYZPEIJIRDIINJ-UHFFFAOYSA-N 403.394 1.925 30 10 HDEE N#Cc1ccc(OCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 460264617 PINGQMFOCMJRHL-IBGZPJMESA-N 417.425 1.830 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 460799344 ZLKVLVPPOZLCQV-SFHVURJKSA-N 418.542 1.077 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 464046322 JSVWCEBANDRQGS-GVDBMIGSSA-N 421.494 1.423 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4cc(C#N)ccc4[N+](=O)[O-])CC3)C2=O)n(C)n1 466543476 UWSAMGHWGHNOSJ-GOSISDBHSA-N 423.477 1.826 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(OC)cc1OC 472620073 HCQBCKYGHBZESR-QGZVFWFLSA-N 408.407 1.907 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 481008723 ZPQPELSWLMKSTB-OAHLLOKOSA-N 424.486 1.993 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ccc(F)cn4)CC3)C2=O)cc1 487179405 IGPUVQQYIFJWDE-LJQANCHMSA-N 422.464 1.725 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 487346399 OIYSLFGRYIVBRU-NXEZZACHSA-N 421.397 1.312 30 10 HDEE N#Cc1ccc(CN2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CC2)cc1 501880654 LFKYLYCEDSOIEC-UHFFFAOYSA-N 424.526 1.530 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(N2CCN(C)CC2)n1 502076416 HNNBCHNMXOROGW-UHFFFAOYSA-N 406.534 1.909 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCC3CCS(=O)(=O)CC3)C2=O)cc1 504395273 HIZNJCLWKHBEIA-GOSISDBHSA-N 418.519 1.568 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCN(CCOc2ccc(Cl)cc2)CC1 505587153 YNOFLFYZKMYVEP-UHFFFAOYSA-N 403.914 1.992 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512698878 MBUIFIBUXYXYLR-OAHLLOKOSA-N 414.528 1.130 30 10 HDEE N#Cc1cccc(NC2=C(Cl)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)c1 526675266 XDTHIHGVVBSDBU-UHFFFAOYSA-N 402.819 1.641 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1 532817396 BSNFXQTYVMZLCV-HNNXBMFYSA-N 408.499 1.283 30 10 HDEE C=CCN(CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 533065795 CZZPDXURZLGXNX-IBGZPJMESA-N 416.547 1.780 30 10 HDEE CCN(C)S(=O)(=O)c1c(C)nn(CCS(=O)(=O)c2cccc(C#N)c2)c1C 533675340 QVIJFSYFPKYHJZ-UHFFFAOYSA-N 410.521 1.486 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(Cc4nccn4C)C3=O)cc2C1=O 542156635 GWWULSAWFSNWAV-KRWDZBQOSA-N 421.457 1.123 30 10 HDEE C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 570879682 XLCBVHVYKKBLJR-SFHVURJKSA-N 418.862 1.848 30 10 HDEE COc1ccc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)c2ncccc12 571014478 DEDLTHDZNBWTAB-UHFFFAOYSA-N 411.462 1.256 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2nc(C#N)cs2)CC1 578584735 ATMYUKXVOSZCSH-UHFFFAOYSA-N 424.504 1.518 30 10 HDEE COc1ccc(CN(CCO)C(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC)c1 586864316 RAMXOVFQYFKRMD-UHFFFAOYSA-N 415.421 1.352 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3C#N)c2=O)cc1 604002106 LHGMQAIVDPPONB-UHFFFAOYSA-N 414.490 1.582 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)CC1 604189716 GHECWTDORTXDMN-GOSISDBHSA-N 415.538 1.151 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F 703978218 ACQQTTQAJLLEOM-UHFFFAOYSA-N 415.446 1.564 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C2CC2)cc1 728757099 GDNMECGJJCVVDX-RTAFMGCNSA-N 418.519 1.839 30 10 HDEE COc1ccc(C[C@@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 730190191 DNJMLJXVBLFBIN-CYBMUJFWSA-N 417.487 1.490 30 10 HDEE C#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 731639982 XHYZNXKVSUXCJE-QXAKKESOSA-N 418.515 1.747 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCc3ccccc32)CC1 732286831 YRCSQBLWRYHQLH-DEOSSOPVSA-N 416.525 1.684 30 10 HDEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2=O 732664304 MXNGCIFNMWYATI-WIVVBHTDSA-N 415.538 1.712 30 10 HDEE N#C[C@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCN1C1CC1 732702430 SLMPSZOEKSTISB-INIZCTEOSA-N 420.311 1.561 30 10 HDEE C#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 733247692 XCCCNPJYIAWNBE-UHFFFAOYSA-N 401.282 1.223 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCO1 741250657 XSTCVYBCBGPXJZ-KRWDZBQOSA-N 406.483 1.216 30 10 HDEE CCOc1ccccc1NC(=O)[C@@H](C)OC(=O)CCN/C(O)=C1/N=CC=CC1=O 741340559 FYKXSPVAPLLGEO-MYXCPXAOSA-N 401.419 1.872 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 741971350 IJPTWFNAHIUHSR-UHFFFAOYSA-N 403.435 1.947 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 742393008 BYBOTFKCNFGGTL-UHFFFAOYSA-N 418.906 1.750 30 10 HDEE CC(C)CN(C(=O)CON=C(N)c1ccc(CN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 747839084 XKPFYJIXQFUTQW-GOSISDBHSA-N 424.567 1.057 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(F)cc1OCC#N 748622189 ALBOMVHQVBBLCI-RRCSTGOVSA-N 405.382 1.685 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 749532351 ZHJQLRHZRHGDJQ-LATRNWQMSA-N 404.470 1.450 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4ccnc(C)n4)CC3)ccc2c1=O 760094141 FHAGNGQVCJWREJ-UHFFFAOYSA-N 422.514 1.932 30 10 HDEE Cc1cccn2c(=O)c(C(=O)NS(=O)(=O)c3ccc(C#N)c(Cl)c3)cnc12 773800008 ZNXILUMRVVHMQE-UHFFFAOYSA-N 402.819 1.647 30 10 HDEE C#CCN(C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 774016699 IQSWQYLOAGQRAX-MRXNPFEDSA-N 403.504 1.967 30 10 HDEE C#CCN(C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 774195696 KSFCKVLUZGGBLS-FXAWDEMLSA-N 419.547 1.239 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 782103710 SYJXJKPVZUKJKT-UHFFFAOYSA-N 418.523 1.463 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(Oc3cnccn3)CC2)C1=O 782894860 KJTKFSSIDIVUKK-OAQYLSRUSA-N 406.446 1.616 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 788810176 DXWYIGJIUABOMX-KRWDZBQOSA-N 406.483 1.127 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)n1 788815285 OGWAYBQIVYAARC-LJQANCHMSA-N 424.501 1.549 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 789111653 CLCJFHVPNVFORU-UXHICEINSA-N 403.527 1.052 30 10 HDEE C#CCN(C(=O)c1c(C)nc2ccc(Br)cn12)[C@H]1CCS(=O)(=O)C1 793155408 XENNJGOEPGIWHO-ZDUSSCGKSA-N 410.293 1.668 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)CC1 795811132 GMCFXLJCNMONNO-UHFFFAOYSA-N 416.858 1.416 30 10 HDEE COc1cc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)c(C)c1OC 797679211 GRERPYRYDCBZHP-OBGWFSINSA-N 404.423 1.669 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 802557653 CPGKJWIQCYGHES-MRXNPFEDSA-N 412.494 1.948 30 10 HDEE COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 802723018 WDBRSAOVSVHUAN-UHFFFAOYSA-N 416.466 1.030 30 10 HDEE CCN(C(=O)[C@@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803923754 YOFHGTNBLNLFSD-DYVFJYSZSA-N 422.478 1.696 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 807574804 XXPGHADNYXCUNA-KGLIPLIRSA-N 423.457 1.152 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)c1cccc(C#N)c1)C(F)(F)F 810520864 LGWDXPMOXZWGFF-NSHDSACASA-N 407.370 1.819 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCC(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 1116829336 KAJZSEQTWKXSKX-CYBMUJFWSA-N 405.398 1.355 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1126629981 VXHLIAMLNJKSGG-GOSISDBHSA-N 419.522 1.828 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@]2(CCCC(C)(C)C2)C1=O 1130825048 YMHQJKASOJWYOI-NRFANRHFSA-N 405.495 1.681 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c(F)c1 1132713717 AGKTXUCTFCNWCI-HXUWFJFHSA-N 402.426 1.251 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(CC)CC)c1 1135844225 RGXMHEVXYCKSGQ-KRWDZBQOSA-N 408.545 1.867 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)CC1 1136575166 MTNBMTMVIYKIFZ-ZBFHGGJFSA-N 410.565 1.280 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3cc(OC)c(OC)cc3c2)CC1 1136632663 GFGWZIMOYDNEFV-UHFFFAOYSA-N 409.486 1.754 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(O)n(C)n2)c1 1141878152 OMLLWZVRVQIKBL-LTGZKZEYSA-N 405.480 1.971 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1142008206 SEJMYIMGAGNQFZ-XMSQKQJNSA-N 417.465 1.361 30 10 HDEE CNC(=O)CCN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1143765285 FUWLUQLUQWUXAD-GOSISDBHSA-N 400.479 1.987 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)CCOC1 1148015274 MOTJNRHERHCLKX-SIKLNZKXSA-N 412.490 1.003 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1151432173 QFVFJWGGNFXALQ-HYVNUMGLSA-N 405.476 1.078 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)CC2)nc1 1160700398 NFMYISUXOFMLAF-ZWKOTPCHSA-N 400.479 1.739 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(=O)OC 1161364654 GFGXVHJHAMNTHE-GOSISDBHSA-N 400.456 1.806 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@]23CCCC[C@]2(COC3)C1 1168015535 JNBSPQIFAYZAID-YSGRDPCXSA-N 403.504 1.644 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1170364455 FJEKVLXWHHSPOS-RBSBEOHCSA-N 417.531 1.830 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1171755346 IMQNTIIWFLWEED-KOMQPUFPSA-N 421.519 1.631 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1181823861 PDSWBMAIJVCMAS-FLTUCWPJSA-N 419.503 1.446 30 10 HDEE N#Cc1ccc(NC(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1184772225 QKVAUWXSTOFDKR-UHFFFAOYSA-N 400.460 1.901 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 1195755971 AUBUEUWWBWBQLM-INIZCTEOSA-N 403.552 1.725 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 1208448847 BFPXTXDMJSNASX-GFCCVEGCSA-N 411.423 1.525 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc2c(C(=O)OC)nccc12 1212416060 WPRWRGXNCOMMTR-UHFFFAOYSA-N 418.471 1.987 30 10 HDEE CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1234532986 PMSXHHXRUBQUKD-RASHJEQFSA-N 411.911 1.996 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1286365584 YYIXUKFNGUXAQA-NSHDSACASA-N 420.271 1.093 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1286408879 GEBQTQJNRRCTTF-RBUKOAKNSA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1cccc(C(=O)NC)c1 1286466210 FCNQCFLTXSPOAO-IBGZPJMESA-N 411.506 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2F)CC1 1286472144 QTCIJKLUMZICRX-QGZVFWFLSA-N 401.486 1.945 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)c2ccccc2)CC1 1286479539 MPGNDOCXDKZAMG-LJQANCHMSA-N 407.522 1.121 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCOC2)CC1 1286492222 DVYPFPDPOBMPTA-SJLPKXTDSA-N 401.511 1.174 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1286495902 HYNVURRNWXVGCZ-RHSMWYFYSA-N 415.585 1.260 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCOC1 1286501130 NFVZLOQNXKJVFP-KRWDZBQOSA-N 410.507 1.512 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(=O)NC2CCCCC2)CC1 1286638042 SKLDMCVITABGBS-OAHLLOKOSA-N 424.571 1.494 30 10 HDEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286694337 BLPMAYYNJRSMFZ-HNNXBMFYSA-N 420.514 1.489 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1286758165 FXDSISKUHXPSDZ-KRWDZBQOSA-N 423.583 1.205 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1286758428 NFNNSCJBWQIBIF-HUUCEWRRSA-N 407.540 1.273 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C(C)C 1286787249 DIJLXKRBGMAGMK-UHFFFAOYSA-N 412.542 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286818786 ODPHWCUNCVLMCH-PBHICJAKSA-N 405.524 1.878 30 10 HDEE CC(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)N1CCCC1 1287155888 FYINPCARIIBZKA-IBGZPJMESA-N 407.522 1.873 30 10 HDEE Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)[C@H](C)CC#N)n[nH]1 1290460525 DNYITNIMUXBRCU-GFCCVEGCSA-N 413.511 1.677 30 10 HDEE CCc1nnc(N2CCC(Cn3cccn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1292964966 YSWLDVSEWGNXAI-FMQUCBEESA-N 424.509 1.480 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OCC 1298021235 QMTNUGOGFLIKPW-ZDUSSCGKSA-N 400.435 1.539 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1300320727 IVURMVYCKOKMFW-INIZCTEOSA-N 422.489 1.469 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1300404355 XTUQMUZIPNOCJU-CQSZACIVSA-N 407.478 1.306 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@]1(C)CCCO1 1300440325 UFTPPRHHFIYMIB-HXUWFJFHSA-N 417.535 1.834 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1300496739 UMGXXTFSGBQJTG-SQNIBIBYSA-N 424.567 1.962 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1300630935 JWYHDFYGARNLPL-PMPSAXMXSA-N 413.519 1.209 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccn(CC)c2=O)CC1 1300695582 DMTTTWCMCSFONV-UHFFFAOYSA-N 403.490 1.325 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(CC)CCS(C)(=O)=O 1300755194 NYJXDZPXBUBEEW-UHFFFAOYSA-N 407.565 1.886 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)C)CC1 1300873612 KQFCGCUQUOUCAK-MSOLQXFVSA-N 404.559 1.928 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1301483459 PAJQKFLJRPYSOZ-INIZCTEOSA-N 412.494 1.218 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1301969603 ZGTKPGDTXNTBDQ-HRCADAONSA-N 410.544 1.192 30 10 HDEE C=C(CN(C)C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1302898082 PQTBLGZIARYWOV-OAGGEKHMSA-N 408.499 1.145 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CC2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1303635565 AUYCAPMYGSGFMG-AWEZNQCLSA-N 402.524 1.859 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)Nc1ccc(OC(C)C)cc1)C1CCN(C)CC1 1303995938 HUKDSNPFFQRKDV-UHFFFAOYSA-N 407.536 1.772 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)n1 1304750307 BVBAAXYKYOSISG-UWJYYQICSA-N 413.526 1.810 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NC1CCCCC1 1306152733 AJTMVABRSYBWDX-UHFFFAOYSA-N 409.494 1.824 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C1CCOCC1 1309703773 XJEZZHYVQAQCPQ-CQSZACIVSA-N 400.884 1.415 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 1314682108 LKBPBORFYXLMKP-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1316045143 KOGCFHLRZCKHTK-MRXNPFEDSA-N 412.450 1.406 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1358889680 FNKZXSPGQFVAQK-AEFFLSMTSA-N 402.520 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1358892000 QNICOHWCVJKCIE-HNNXBMFYSA-N 417.460 1.854 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)C)c1 1358902251 IPBSFYHUFPLAIW-MRXNPFEDSA-N 420.521 1.685 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](COC)C1 1358927272 SLXGBPCTQGZHMA-INIZCTEOSA-N 422.489 1.457 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COc2ccccc2)C1 1358927774 JGNSNACIFHRJAN-RBUKOAKNSA-N 409.490 1.927 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1358929466 AOICDYKXNSRKPI-APWZRJJASA-N 420.539 1.154 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358933617 ZKURGIGJAUUDIP-IEBWSBKVSA-N 412.490 1.673 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1358946277 OYDKRGYTPGPRII-INIZCTEOSA-N 422.489 1.721 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1358952868 AWONYMBTRLEKFQ-GOSISDBHSA-N 408.506 1.766 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358962887 YQWKEHHMDVFVNW-BRWVUGGUSA-N 408.524 1.325 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCc3nccn3C2)CC1 1359041255 RAVDOLXLYWOBEB-KRWDZBQOSA-N 409.538 1.826 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1359060355 SRAVAALPOBZEDX-GOSISDBHSA-N 415.567 1.611 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359132895 HSQWDCRZTBSROW-OAHLLOKOSA-N 400.483 1.031 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359287744 STWWYNBVIZSICH-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE CC(C)(C)c1nnc(N(CCCCO)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359501371 DLGAWSHLDHANTP-ZCXUNETKSA-N 416.526 1.843 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(OC)c(OC)cc2I)CC1 1453845576 ZUYAYUIWUXVPNC-UHFFFAOYSA-N 415.227 1.909 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1458034429 MBMBCZBYRHTDLX-QGZVFWFLSA-N 405.520 1.461 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cccnc2C(N)=O)n1 1464711780 JTTBIIAZBDWKOP-UHFFFAOYSA-N 401.477 1.546 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)NC[C@H]4C3)C2)C1 1465612783 VSINMFOECWKYTP-LTWWHTJUSA-N 403.483 1.009 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCC)c2ccc(F)cc2F)CC1 1469377546 LHENREDHDORTRX-QGZVFWFLSA-N 414.478 1.601 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(Cn4cnnc4)CC3)C2=O)cc1 1469762773 QYVTYNIZULQWNE-LJQANCHMSA-N 407.478 1.767 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 1471938887 ZERNMSNMWSDUHS-FQEVSTJZSA-N 405.564 1.902 30 10 HDEE COc1cc2c(cc1OC)S(=O)(=O)N(CC(=O)Cc1ccc(C#N)cc1)C2=O 1472985706 SUJAHTUUYLCLFN-UHFFFAOYSA-N 400.412 1.532 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1478736329 MRSCVMPDDWJHSD-MRXNPFEDSA-N 412.456 1.864 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1504661213 YSDGNRGXTUNAMW-UHFFFAOYSA-N 413.482 1.827 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1507531489 ASAOMINEABLMBZ-KGLIPLIRSA-N 419.507 1.289 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507623047 QDJBTRTUFAZXHC-HZPDHXFCSA-N 419.551 1.187 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(OC)CCOC1 1507655520 JPWMDFYBCBCYOB-QFIPXVFZSA-N 410.474 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507741533 WKLGYQUFVSRIFJ-KKSFZXQISA-N 403.527 1.332 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507756962 SIMLNVWYWJPJII-LJQANCHMSA-N 416.576 1.859 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1507972446 WCJJUFYNTCHQFX-UHFFFAOYSA-N 420.539 1.709 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508163418 CCFBSFUSBGILOR-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1508405341 FVNIHKUBSJIUIE-AWEZNQCLSA-N 410.482 1.649 30 10 HDEE CCOCc1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516573314 RZWKIORHIQTGOU-ISLYRVAYSA-N 400.483 1.721 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCO2 1519161815 AYYRWVGZGDXZRL-SFHVURJKSA-N 424.505 1.969 30 10 HDEE COCCOCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519397135 ZXHPPRAOMONAEI-QZTJIDSGSA-N 404.515 1.359 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1 1535780375 HGHPLEIMBKFUAM-UHFFFAOYSA-N 421.519 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCCO)c(OC)c1 1538965044 ZRUPDHNNXSZSJK-HNNXBMFYSA-N 415.494 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1538993335 JDSPZDVBXJSVGI-ZIAGYGMSSA-N 402.476 1.566 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1539025580 KESNTWYAZZDZPC-QUCCMNQESA-N 413.570 1.954 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1539149743 ZUBLNTDCGVEEGQ-MRXNPFEDSA-N 403.405 1.067 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1CCC 1539414825 ZKSSLMDJYDLEAJ-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@H]2C1 1539519214 FLNJOTVBJJYHTG-LJQANCHMSA-N 415.538 1.895 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1539612297 KLTCXYAALGGTFS-BBWFWOEESA-N 418.542 1.360 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1540034264 ZAMUFFQSDIACOA-XGHQBKJUSA-N 419.526 1.596 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1540169486 FBIPVQVLANQZLT-HAWMADMCSA-N 412.581 1.660 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)NCC#Cc2cccc(C(F)(F)F)c2)[C@H]1c1cnn(C)c1 1540568277 VZJYOGNNQSLSOA-BRWVUGGUSA-N 420.391 1.097 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540873981 QVTXNEIPHPEBPK-SJORKVTESA-N 400.527 1.275 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cc(C)on1 1540903255 AFMIJIVCELBXPW-UHFFFAOYSA-N 416.507 1.798 30 10 HDEE C=CC1(CC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CN(C(=O)OC(C)(C)C)C1 1543231329 RRDWIKNZYPAOCB-UHFFFAOYSA-N 403.483 1.913 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CCCS(C)(=O)=O 1554150041 FMMTVOFWCJYVPP-UHFFFAOYSA-N 411.491 1.678 30 10 HDEE COC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555352392 PEJODYYLPCTOHU-HUUCEWRRSA-N 419.507 1.556 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(C)COC1 1555557044 NHQWSNMCLHVJGK-UHFFFAOYSA-N 402.455 1.409 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)nc1 1555752999 JPBLUUFROWXOBY-UXLLHSPISA-N 418.885 1.828 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@@H](C#N)CO)ccc1Br 1556608086 ZGEPMQWFUXVDFM-JTQLQIEISA-N 404.286 1.140 30 10 HDEE C=CCn1cc(CNC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)nn1 1557105804 WWBFNYBKEUAFMY-CYBMUJFWSA-N 401.471 1.842 30 10 HDEE C[C@H](COc1c(F)cccc1F)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557443016 MZDJKSGZZOCFFM-GFCCVEGCSA-N 423.441 1.977 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2c(Br)cnn2C)c1 1557917885 PBRPAXQZQWKKJA-UHFFFAOYSA-N 413.297 1.577 30 10 HDEE N#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(F)(F)F 1558443610 ZZPZAZRNKFDHKC-JSGCOSHPSA-N 405.398 1.718 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)C[C@@H]1CN(c2ccccc2)C(=O)O1 1560117124 RXBSLZVVPXKEGT-QGZVFWFLSA-N 400.460 1.684 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O 1564669695 WNDKMFXCDJIDAN-INIZCTEOSA-N 407.312 1.809 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1569909678 HMQQYEVLQZYINT-FYBBSVAYSA-N 400.523 1.237 30 10 HDEE Cc1cc(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)ncc1C#N 1569932228 LKEFBLAVDDTYLZ-UHFFFAOYSA-N 405.458 1.562 30 10 HDEE C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C(=O)OC(C)(C)C 1570510201 FPDPXDVOHXAGRA-KBXCAEBGSA-N 421.519 1.805 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1587620181 AZSWUDCROZVVGE-OAHLLOKOSA-N 410.478 1.049 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)COCCO1 1588205119 DEHJKLLKJZREQY-JOCHJYFZSA-N 408.458 1.942 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595879392 WBOHFZMYJJPGIF-UONOGXRCSA-N 419.511 1.418 30 10 HDEE CC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](c1ccc(C)cc1)n1cncn1 1596452082 DUHHPIOBBMJZPS-MJGOQNOKSA-N 421.461 1.295 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1596696155 SCGHUJUBLTUXLJ-WOJBJXKFSA-N 424.505 1.727 30 10 HDEE CSCC[C@@H](C(=O)NCc1cncc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1596855930 MLIVUKPVCGUAMR-BBWFWOEESA-N 400.504 1.866 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1C 1611156587 AAOXIWYNEYGZBJ-STQMWFEESA-N 417.491 1.650 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1611765338 JWGPBZVQEKFOEG-YRNRMSPPSA-N 402.499 1.184 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C1 1611767402 MAVGEXFXQALTHR-GOSISDBHSA-N 403.512 1.409 30 10 HDEE CN1C[C@@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)NC1=O 1616675190 MPNUJRDWNBVMKC-GJZGRUSLSA-N 406.284 1.182 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCC(F)F 1620083075 QHLPBKYCUXVFPP-HUBLWGQQSA-N 400.430 1.122 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccccc2F)CCO1 1620355037 GDBVASSOIWMPCY-HNNXBMFYSA-N 421.436 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H](CO)C1 1620573167 CMRHRSWLJNQRKW-ROUUACIJSA-N 405.495 1.406 30 10 HDEE CS(=O)(=O)N1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1623983770 HSYABDJEFNDMHX-UHFFFAOYSA-N 416.297 1.193 30 10 HDEE COC(=O)COc1ccc(N(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1625004883 VUDSOQFWIFDZDQ-UHFFFAOYSA-N 420.418 1.951 30 10 HDEE Cc1cc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)nn1-c1cccc(C#N)c1 1628217451 RZSHNOOFVIWCBG-UHFFFAOYSA-N 423.473 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCCN(O)C2=O)(n2cccn2)CC1 1628547666 HPHKFLDZHPOPJA-CQSZACIVSA-N 407.471 1.106 30 10 HDEE CN(C(=O)OC(C)(C)C)c1ccc(OC(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1629147005 MSSMVAADUAHJQT-UHFFFAOYSA-N 400.391 1.797 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 1630869030 ONUCPDVTPKJREW-QFBILLFUSA-N 409.490 1.895 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC#CCO 1634026572 ANWCBEDXHWSGNE-IBGZPJMESA-N 412.490 1.479 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1 1634835181 MOFORAWYTHEMPY-LBPRGKRZSA-N 419.334 1.849 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1636299757 PEIRZNANFIJOTQ-GJZGRUSLSA-N 404.529 1.508 30 10 HDEE Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)NCC#CCO)cc([N+](=O)[O-])c1C 1639533894 MGPVWAHOAFQKEY-UHFFFAOYSA-N 417.443 1.738 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C)C[C@@H]1CO 1641533371 CQCZVDWKMRMVOX-CYBMUJFWSA-N 412.284 1.233 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)CC1 1641976792 VMUPTZGUCZUWTE-UHFFFAOYSA-N 401.488 1.322 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1643533664 YAFUOZGPHQXHMF-IEBWSBKVSA-N 419.547 1.478 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)c1 1644993042 YSUCFWQPOKGYAF-UKRRQHHQSA-N 404.410 1.828 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(NC(=O)c4cccs4)cc3)C2)c(=O)nc1O 1648786920 CTKBQPNHBDMFTK-UHFFFAOYSA-N 421.438 1.831 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CC(C)(C)O)nnc12 1648791782 GYJIIKCVLWMHFK-CYBMUJFWSA-N 415.519 1.988 30 10 HDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1Cc1nncn1C 1649680490 BJACDRULDNKGSL-UHFFFAOYSA-N 408.466 1.782 30 10 HDEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 1652173438 SDWMLUVHMAMTAC-UHFFFAOYSA-N 413.590 1.313 30 10 HDEE N#Cc1cn(CCC(=O)N2CCc3cc(Br)c(F)cc3C2)c(=O)nc1O 1653036404 NXVHRXUEVBCPOI-UHFFFAOYSA-N 421.226 1.697 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(F)c(Br)c1F)C(=O)OC 1655131320 ABBNRQNAMIBVEY-VIFPVBQESA-N 414.224 1.750 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)C[C@]2(C)CO)n(-c2cccc(F)c2)c1C 1659506005 CJRCRHKEVIVRAX-DYESRHJHSA-N 400.454 1.861 30 10 HDEE C=CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 1663000690 WKSWKHQCMIVIHS-UHFFFAOYSA-N 414.549 1.875 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 1667119418 GWGGMFBZIGRPBY-UHFFFAOYSA-N 413.478 1.385 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)N2CCN(S(N)(=O)=O)CC2)cc1F 1668939198 CBXQNWQBPPOJLX-UHFFFAOYSA-N 419.438 1.843 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)CC1 1671635126 OTJAAFKBGYHZJT-UHFFFAOYSA-N 404.410 1.868 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccs3)CCCCC2)CC1 1679469396 JOXHSQSFRXYHFA-UHFFFAOYSA-N 424.592 1.745 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1681515009 FAAXBNQNCQWICQ-OLZOCXBDSA-N 420.338 1.911 30 10 HDEE COC(OC)[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1683594154 IHKYEJJPKPOIHU-LBPRGKRZSA-N 404.446 1.704 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1683930718 JKMJXLYHSLTDJY-SFHVURJKSA-N 408.543 1.753 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 1689684648 HDTFDZACVWBDLG-MZSWFSNMSA-N 400.519 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cnnn1 1690040944 ULGDDDMPONRDOP-UHFFFAOYSA-N 418.461 1.256 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1690059189 KUSAPVLLPRYMEF-MRXNPFEDSA-N 416.551 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc([C@@H](C)O)cc1 1690092758 VAMXWHZNKTYFNB-QGZVFWFLSA-N 411.506 1.702 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCOC)CC1 1690114820 IHWLYUQQNBBONP-UHFFFAOYSA-N 417.535 1.140 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nccn2C(F)F)CC1 1690124286 ILMWKJCWAZCATE-OAHLLOKOSA-N 405.453 1.567 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)CC1 1690477095 ZONMDMLDTXKOKW-UHFFFAOYSA-N 423.481 1.775 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1690530368 MJIOXJIDSJWIPE-MRXNPFEDSA-N 414.535 1.964 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690643594 JINVJACCGABFBY-ZDUSSCGKSA-N 421.483 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)CC[C@@H]1C 1690729004 CVQPKUDERNIJGU-HOTGVXAUSA-N 409.556 1.626 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1692666113 BBZUARPYDGEMDX-SWLSCSKDSA-N 404.421 1.941 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(F)CCC1 1692782269 JLTRGZNOZMSMNB-MLGOLLRUSA-N 402.471 1.613 30 10 HDEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCC(=O)N(C)C)CCO2 1693878670 GJPHNRQDICHXLA-OPAMFIHVSA-N 424.505 1.679 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696843527 RKZHHJBTXMIDIV-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1705557177 PSSVXWADPZZFGY-UHFFFAOYSA-N 407.478 1.414 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@@H]1C 1705584934 DMFFGUASKIWPDG-WZONZLPQSA-N 403.486 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1C 1705622590 MUQMHOFRHNCTIQ-NRFANRHFSA-N 416.526 1.495 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)COCCO1 1705624821 QDVXHGQTHCCADN-OAQYLSRUSA-N 400.479 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705696966 RIXGSXBOVKKHKB-NXHRZFHOSA-N 415.494 1.779 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1)C1CC1 1705850581 ZJDDLTWZXGTIAP-FQEVSTJZSA-N 418.519 1.655 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1705856029 CPHTWRXGIGWKFJ-UHFFFAOYSA-N 424.509 1.794 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705899353 QAMJLWGSLKMCSR-FQEVSTJZSA-N 415.519 1.262 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705902995 OAMQUCIIQRXAKF-OAHLLOKOSA-N 401.467 1.435 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705928953 XDDUDAAWZFVINW-HZPDHXFCSA-N 413.544 1.020 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@]2(O)CCO[C@H]2C)c1 1722304756 GCENKWVFLRTUED-KSFYIVLOSA-N 411.506 1.998 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722368967 UTMJPHDIAFTHLL-SFHVURJKSA-N 416.551 1.768 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCN1CC 1722380137 FLPRQPUUSLWWJE-QGZVFWFLSA-N 408.506 1.953 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC1CCCCC1 1722387050 FCPUUNLFFULJBA-UHFFFAOYSA-N 410.522 1.426 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@H](C)C1 1722461174 PBTXULVKIVGPQR-MRXNPFEDSA-N 413.547 1.911 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCSCCCO)CC1 1722559681 FBTZEURLQGTMKQ-CQSZACIVSA-N 403.574 1.160 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1723078275 UKMLTMJMQBSMAB-SFHVURJKSA-N 423.521 1.900 30 10 HDEE CC1(C)CN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)CCO1 1724030822 DESLAQYFMZKEHX-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCCO1 1726673463 YOSPSQSJPAQOQT-YOEHRIQHSA-N 423.477 1.420 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1726729144 OUARHYIQMUHUHQ-ULBJJONDSA-N 416.482 1.270 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1730876206 NDYCJQMHCTULKJ-ROUUACIJSA-N 420.558 1.853 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1731017570 XUXZQSNMWDLHTK-QGZVFWFLSA-N 410.450 1.465 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCOCC2)CC1 1740841695 XBYKARSCLZQQPU-UHFFFAOYSA-N 416.526 1.052 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740888370 MDKXIAGLXNBNAM-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1740890961 NBQTYIUACFGSRP-CQSZACIVSA-N 405.524 1.688 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C 1740924489 UAFKYJHEDZYQGP-LJQANCHMSA-N 424.615 1.757 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740973989 AQAATSYXKXTKLI-BEFAXECRSA-N 422.507 1.177 30 10 HDEE CCc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744595563 UMTOIQAWILCOFC-RAJOGRCSSA-N 414.510 1.498 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1748648868 FYRYKPIXGGKNGJ-OPAMFIHVSA-N 405.506 1.860 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)COCCO1 1748888913 AOASRLPUTIXYAR-QHCPKHFHSA-N 422.485 1.985 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748925493 JMYFXBNWTHXXFS-SFHVURJKSA-N 402.520 1.857 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1748990514 HYQXORKWCZWMSW-AVRDEDQJSA-N 401.555 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSC(C)C)CC1 1749010585 SVUXZZOXCQEEBC-MRXNPFEDSA-N 418.567 1.337 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1749230326 XAAHYCCCXRRUHV-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749487812 RGILCUYKCZSODB-KRWDZBQOSA-N 412.494 1.058 30 10 HDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1749646175 NTUNQRPQXPPRFH-HRAATJIYSA-N 424.509 1.493 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1749709197 OGEVLCKXIIAZQU-MSOLQXFVSA-N 417.514 1.475 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCOCCCO)cc1 1750383073 OLZKWRQGVXDVJK-QGZVFWFLSA-N 412.494 1.308 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2ncn(C)n2)CCOC1 1751017155 CPUBBGGXGKWZFE-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1760126661 FNDIVFKQQIPHPY-QYZOEREBSA-N 419.570 1.695 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1760183182 OULBCSAPIVWPNB-RDJZCZTQSA-N 421.567 1.477 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1760259347 AHYZFBAFQFOIAO-MRXNPFEDSA-N 412.460 1.174 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1760288548 GFIAZXHQNPAOFN-HNAYVOBHSA-N 409.556 1.697 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1)C1CC1 1760470419 QWYOUHBDBRMXTB-ZDUSSCGKSA-N 406.512 1.495 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](C2CCOCC2)C1 1760525326 BHEKYZKNILFMQU-IBGZPJMESA-N 410.522 1.819 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC=CO1 1761221800 SZBUWTBKJFRSMR-MRXNPFEDSA-N 423.477 1.644 30 10 HDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1766692634 UQNBSOIWQUHMHD-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)n1 1767497490 FPSPWJYOXHZUJR-UHFFFAOYSA-N 406.494 1.982 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCCn1cnnn1 1768633456 GROLZMNRURTHAV-GOSISDBHSA-N 407.482 1.757 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1769586162 GCZACQPKJZSTRU-DOTOQJQBSA-N 412.494 1.855 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1770629659 RGBDHZXHFAQLNP-RHSMWYFYSA-N 418.523 1.227 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C(C)C)N1CCCC1 1771222481 IQUXUQFORSUJBP-CEXWTWQISA-N 420.558 1.851 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)Nc2nc3n(c2C#N)CCCC3)CC1 1850612316 DZJHOHTZMHVCCL-UHFFFAOYSA-N 420.473 1.648 30 10 HDEE C=CCN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ncccn1 1851319437 HYVAFLDZXOAZCA-HNNXBMFYSA-N 408.867 1.876 30 10 HDEE CC(C)(C)[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)N1CCS(=O)(=O)CC1 1851614161 WVNHONXPSBVVRS-KRWDZBQOSA-N 415.519 1.828 30 10 HDEE N#Cc1cc(CNC(=O)c2cc(Br)cnc2N2CCOCC2)ccn1 1852018378 RJFMONQABNTXNJ-UHFFFAOYSA-N 402.252 1.877 30 10 HDEE Cc1nc(C)n(CCC(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852192164 FUIAQHKITAMUSB-FQEVSTJZSA-N 413.478 1.480 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1=O 1853682583 NCSIREIDSJMQOS-QZTJIDSGSA-N 403.454 1.441 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1CC(=O)N(C)Cc1ccccc1 1853821952 HQMCMQUZOWKRPK-KRWDZBQOSA-N 404.470 1.890 30 10 HDEE C[C@H](CCC#N)N1CCC([C@H]2CC(=O)N(C(=O)CCCn3ncccc3=O)C2)CC1 1853889411 ZCETZWRZZBVACN-MJGOQNOKSA-N 413.522 1.803 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccccn3)C3(CCCCC3)C2=O)CC1=O 1853974025 YFSFFZDCOAZHKN-SFHVURJKSA-N 410.518 1.990 30 10 HDEE CCc1cc(CN2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)on1 1854441039 JVVJSMHPDYFBBG-SFHVURJKSA-N 408.462 1.063 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)CCc3scnc3C)CCC2=O)CC1=O 1854862037 FMHLHSWFPKVVGX-IRXDYDNUSA-N 418.563 1.726 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCN(Cc4ccncc4)CC3)C2=O)cc1 1855641781 VISDEKIDRZIVMK-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE N#Cc1ccc(OCCN2CC[C@H](N3CCN(C(=O)C4CCCC4)C(=O)C3)C2)cc1 1856729067 WCSUFQXDDOTNHT-FQEVSTJZSA-N 410.518 1.872 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3COc4ccccc43)C2)CC1 1857020280 VLIGUWRZQFAQLU-NVXWUHKLSA-N 417.487 1.103 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857056422 NANKFWWJBPFPDY-LPHOPBHVSA-N 401.482 1.852 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@@H]1CCN(C)C1=O 1857069033 UEUANOJOJRFPAC-UKRRQHHQSA-N 423.464 1.455 30 10 HDEE CN(CC(=O)N1C[C@H](CN2CCC3(CC2)C[C@@H]3C#N)CC1=O)C(=O)OC(C)(C)C 1857213604 QFAAWZDHUVWZLG-JKSUJKDBSA-N 404.511 1.854 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC[C@H]2CCCO2)c(C(=O)OCC)c1C 1860760818 DKLYLGQUKPHFHQ-GFCCVEGCSA-N 424.475 1.810 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889092728 TWPGBUKNKIHHPC-UXHICEINSA-N 401.532 1.524 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)CC1 1891295029 IYTFONZDJSMKCQ-CQSZACIVSA-N 412.475 1.259 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCC(COc4nccnc4C#N)CC3)n2)cc1 1891907808 RPEOXUYZBIWRDQ-UHFFFAOYSA-N 404.434 1.564 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@@H](C)N1C(=O)OCc1ccccc1 2054406800 YWTNJFQCHFVKQI-JZXOWHBKSA-N 406.508 1.808 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N)NC(=O)OC(C)(C)C 2162924078 DQYXYAGXQRSOGZ-KPHLJTLVSA-N 416.525 1.840 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)C[C@@H]3C[C@@H]3C(F)(F)F)s[nH]2)OC1(C)C 2166426052 XGPPVMCKGDAVDD-YUMQZZPRSA-N 413.252 1.199 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC[C@@H](O)C2)CCN(C(=O)OC(C)(C)C)CC1 2174805243 RHNOLGJGPWEYJJ-OAHLLOKOSA-N 403.545 1.623 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177630624 GQFDEEASOBZAMG-GHMZBOCLSA-N 403.331 1.589 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2195306994 LWEXJHNPDPWFFH-OAVHHTNSSA-N 402.513 1.538 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)NCCNC(=O)OCc3ccccc3)c2)OC1(C)C 2241487122 YLIDAZKIYAQEJU-UHFFFAOYSA-N 413.283 1.970 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(=O)NCc1ccccc1 2243418937 NWVTXYSLTMDHBT-UHFFFAOYSA-N 415.324 1.797 30 10 HDEE C[C@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674483 KAIPUUFOWXSYFE-YPMLDQLKSA-N 424.332 1.501 30 10 HDEE CC(C)(C)OC(=O)N1CCn2cnc(C(=O)NCB3OC(C)(C)C(C)(C)O3)c2C1 2244397254 RUCNGCZNKLFNNM-UHFFFAOYSA-N 406.292 1.995 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247828294 NEFCEAYLSFYCTQ-AOMKIAJQSA-N 408.311 1.713 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCc3cnn(Cc4ccccc4)c3)[nH]n2)OC1(C)C 2247843985 UUMXTCLWGVKJQM-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CON(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2247922179 CVWICACQNRFHQE-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CSCC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267703293 UILQPNVJOZSEAM-UHFFFAOYSA-N 404.388 1.567 30 10 HDEE CON(CC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269029509 HQSLBRVWSOOFGU-UHFFFAOYSA-N 411.694 1.337 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2281803414 WPQOENQWZRUMEY-VXGBXAGGSA-N 400.331 1.138 30 10 HDEE CC(C)(N)[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282345103 YEJGHPNPRLOWFQ-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282522660 NKBLFZQBWPPCRY-LLVKDONJSA-N 402.347 1.384 30 10 HDEE Cn1nc(C(=O)N2CCCC[C@@H]2C2(C)OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2282609127 DUOJIFATWINVNG-OAHLLOKOSA-N 405.304 1.477 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C)C[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834160 QBPPDFADAKJZPO-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE CC[S@@](C)(=O)=NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848459 NRQCCJHLKGVVQF-RUZDIDTESA-N 422.403 1.443 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCC[C@@H]2CO)OC1(C)C 2282857640 KVRPFXIBXWWVHK-CHWSQXEVSA-N 401.359 1.734 30 10 HDEE COC(C)(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282870824 XZVUQIKAJGZQHV-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2COCCC2(F)F)OC1(C)C 2282874244 XTAWRMWBIFFLIU-LBPRGKRZSA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3CN(CC(=O)O)C3)sc2Cl)OC1(C)C 2284431704 NTUQWGPHGZZKPN-UHFFFAOYSA-N 400.693 1.199 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@@H]2OCCC[C@@H]21 2288367931 YTHUIPCPEKHDCC-FNNWNWGMSA-N 402.513 1.727 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2301662423 OOTQGJXICJKPFB-CQSZACIVSA-N 423.319 1.583 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)(CO1)C2 2365196874 QUEQXGPDVOFZAL-JVPBZIDWSA-N 401.525 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365252692 FLAWPBVDARMFLL-UONOGXRCSA-N 403.497 1.540 30 10 HDEE COCCCN/C(=N\c1cccc(C(=O)O)c1)N1CCN(CC(=O)NC(C)C)CC1 46021907 MAFKGHDSLPHESQ-UHFFFAOYSA-N 419.526 1.141 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(C)c(F)c3)no2)CC1 57444953 AOHHJFLCHNWEJN-UHFFFAOYSA-N 415.469 1.563 30 10 HDEE CCn1cc(C(=O)NCC#Cc2ccccc2C(=O)NC)c(=O)c2ccc(C)nc21 96348717 DKBLAADLOBSSDQ-UHFFFAOYSA-N 402.454 1.866 30 10 HDEE COc1ccc(C=N/N=c2\[nH]c3c(c(=O)n(C)c(=O)n3C)n2C/C=C(\C)Cl)cc1 254591763 BDDNCRVEJRQCHM-XYOPEGKRSA-N 416.869 1.453 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 409477105 VJUXINRRQZBIQJ-SJORKVTESA-N 418.922 1.921 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(C(F)(F)F)cs2)CC1 426640815 VJVBHRSLACRNBU-NSHDSACASA-N 405.446 1.852 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cscc3C#N)CC2)c1 432033407 SOANTHATKUXCAY-UHFFFAOYSA-N 421.500 1.784 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 465266620 JTJNYJGZWVQROU-CYBMUJFWSA-N 421.461 1.616 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](CO)Cc3ccc(OC)c(O)c3)cc2C1=O 475519257 GGGPKMRHBMVOLU-HNNXBMFYSA-N 424.453 1.764 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C#N)ccn1 477446573 VZUDEBDYIYTIAA-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE CS(=O)(=O)Nc1cccc2c1CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2 488792263 GMUCUMQDGFRMSZ-UHFFFAOYSA-N 409.464 1.816 30 10 HDEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1cnccn1 488905887 FUTRGXIZRFUEQP-GFCCVEGCSA-N 401.496 1.139 30 10 HDEE Cn1c(=O)c(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc2ccccc21 494398406 PQDSQGLTIAWNHT-UHFFFAOYSA-N 402.458 1.837 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)Nc2ccc(C(N)=O)nc2)CC1 499896021 MJKQBRXOMBVVBR-UHFFFAOYSA-N 401.430 1.954 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508904784 VZJJDTCZEXYRBL-QAPCUYQASA-N 417.535 1.906 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCN1Cc1ccccc1 512534381 PXLWGQQKECHGNK-SFHVURJKSA-N 413.503 1.254 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 514916263 ANLLISCMIGJNEI-AWEZNQCLSA-N 403.529 1.180 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(Cc3ccncc3)CC2)CC1 515784159 YXKNTRRJEQOMLH-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)cc2C1=O 521592823 XPODUBMKUKJASD-IBGZPJMESA-N 403.438 2.000 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 526011698 YZWRUUPOVDNUBV-UHFFFAOYSA-N 403.483 1.167 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 532828986 RHKQMPKUMYTNDH-CYBMUJFWSA-N 403.501 1.400 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](Nc2nc3c(c(C#N)c2C#N)CCCCCC3)C1 553705460 HIIZEJRLQLVQMV-OAHLLOKOSA-N 416.551 2.167 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 559010989 RQLSMCKOFHWZAX-OAHLLOKOSA-N 401.471 1.067 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cccs2)CC1 565057358 DZLKVZWBNSRJJH-INIZCTEOSA-N 423.564 1.877 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN(C)S(=O)(=O)c1ccccc1 566032482 ICLMEPMDTYSUAW-UHFFFAOYSA-N 401.488 1.854 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1ccc(OC)cc1OC 572766726 HDIRTQYKFCTMPY-SFHVURJKSA-N 404.467 1.568 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)s3)CC2)cc1C#N 573991031 ARJOSNDLMPEFEK-UHFFFAOYSA-N 406.489 1.528 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)NCC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 578461184 SUIVBZGRUGVPGK-RHSMWYFYSA-N 409.849 1.468 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CC1 580575874 LOZXRFKBFJBEGH-HNNXBMFYSA-N 412.416 1.048 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)/C=C/c2ccco2)C1 585824409 QOUZXDMZGBONBI-YMEIAPRGSA-N 407.426 1.395 30 10 HDEE Cc1ccc(C#CCCO)c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 707407907 AIXQHTREJTZFIM-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE COC(=O)[C@H]1CN2CCC[C@H]2CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725403052 SEMZUCSAWTZUQJ-RBUKOAKNSA-N 400.328 1.807 30 10 HDEE C#CCN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 731212988 QACICPGVXUBFHJ-HNNXBMFYSA-N 400.447 1.369 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 732416063 CHQPTAMWRNLQBI-BUHFOSPRSA-N 414.390 1.331 30 10 HDEE CC(=O)[C@H]1CC(C(=O)NS(=O)(=O)Cc2ccccc2C#N)=NN1c1ccccc1 733675928 OOAZDCNYNONYEP-LJQANCHMSA-N 410.455 1.728 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2csc(N3CCCC3)n2)cc1 734233728 TYWHRJDPTSULGA-UHFFFAOYSA-N 418.544 1.627 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 734272382 QUEYQHRWVMRUAT-SFHVURJKSA-N 415.538 1.214 30 10 HDEE C#CCN(C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 735040531 QAKGZZGUJMEBHB-QQABJKMWSA-N 406.548 1.358 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2=O)n(C)n1 744828513 NJFBZTZAVJVKQE-INIZCTEOSA-N 405.418 1.330 30 10 HDEE CN1CCC[C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1cccs1 745813187 JIXDXSKUPJWNRR-HYAAMLEESA-N 417.535 1.957 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 748400872 LQHQVDUEULJQJM-UHFFFAOYSA-N 407.835 1.963 30 10 HDEE C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 750432617 IMGZRQPVHLDYSG-AWEZNQCLSA-N 415.471 1.921 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@@H](OC)C[C@H]32)ccc1F 755154547 AEUMSIAXKYLPSU-DJIMGWMZSA-N 412.483 1.699 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)cc1 760832619 FBJSGOJVBGCJJF-SASZOBLLSA-N 417.897 1.911 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2cccc(OC)c2)C1)c1cc[nH]n1 772389029 QMDWKMNNCITNDN-QGZVFWFLSA-N 416.434 1.302 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC(C)(C)C 787864260 JZXJGBYFXTTZOA-OAHLLOKOSA-N 422.551 1.513 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 788810956 LYRHRHXCNAVGCM-NRFANRHFSA-N 422.529 1.973 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1sccc1C#N)S2(=O)=O 790027498 SZEJFMXCECQWHM-UHFFFAOYSA-N 407.429 1.420 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCc1ccc(OC)c(C#N)c1)C2 790783722 YIYHLRGSNWXUKH-UHFFFAOYSA-N 414.487 1.743 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 793211443 CFYOYXWIQJVMRF-ZWKOTPCHSA-N 414.487 1.759 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1cc(F)c(F)c(Br)c1)n1cnc(C#N)n1 798853785 STSBWIMAYZVCAF-LURJTMIESA-N 420.195 1.257 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)c1 802666809 AIGYHLZYCWJLQO-UHFFFAOYSA-N 404.875 1.595 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CSC2(C)C)C1=O 802720405 HAUQZPUDMFYOFX-STQMWFEESA-N 406.533 1.747 30 10 HDEE C#CCONC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 812781686 DGQMLXCWCSFNFY-ZDUSSCGKSA-N 421.338 1.530 30 10 HDEE C[C@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 813636051 LSGRLDGZNWGDQY-CEOWJGBQSA-N 416.400 1.207 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2c(C)cnn2C)CCCN1C(=O)OC(C)(C)C 813988685 NWYZSKSYYRRBTO-GOSISDBHSA-N 412.512 1.879 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CC1 856599399 IHRWWKKPAMYOIK-QFIPXVFZSA-N 413.566 1.152 30 10 HDEE C[C@@H](C(=O)NCCc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1130907124 BROGGUOKARUNHB-HNNXBMFYSA-N 400.479 1.685 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cn3c(=O)cnc4ccccc43)c2C#N)C1 1131403082 BZNVWERKWUYIOG-UHFFFAOYSA-N 407.455 1.873 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](C)[C@H]2C(F)(F)F)s1 1148107483 PWSREAVVUFVYAZ-HZMBPMFUSA-N 412.455 1.933 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC)C2)c1 1150496835 NZNDMGSACYRLGZ-LJQANCHMSA-N 412.467 1.511 30 10 HDEE CN1C[C@@H](CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1155629121 LTMOLRRTGWISGH-HNNXBMFYSA-N 420.535 1.270 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 1168858105 XFDVOEHDPSFFIV-ACJLOTCBSA-N 412.471 1.815 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)NCC34COCCN3CCOC4)c2)cc1 1168938424 GBSHURABCUCBAZ-UHFFFAOYSA-N 407.470 1.968 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2ccc(Br)c3cccnc23)c(=O)n1CCO 1189977321 KYTPVIHVZXLJMR-UHFFFAOYSA-N 415.247 1.541 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC(=O)Nc3ccccc3C2)CC1 1195546459 CXSWCFBOALIMRW-NRFANRHFSA-N 421.476 1.989 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 1214196291 FAYXRBANIGMQDX-HNNXBMFYSA-N 410.540 1.679 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1229842116 JRPPGDRRNJNZCC-UHFFFAOYSA-N 421.519 1.921 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)nn1 1230271584 IHSDYHCZVMXRGG-GDBMZVCRSA-N 408.503 1.535 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1251120191 BWOHGRMIGZRVTH-HZPDHXFCSA-N 412.537 1.525 30 10 HDEE N#Cc1csc(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)n1 1251295866 MXTZSHLLGXUUNM-UHFFFAOYSA-N 413.507 1.731 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)C1 1255362697 GLRVBIZPLPQZET-PKOBYXMFSA-N 418.563 1.712 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)n2)cc1 1265539637 OUVNHOORAWOTGN-UHFFFAOYSA-N 407.434 1.391 30 10 HDEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1266151114 WWHZYGMTAKQDKC-QGZVFWFLSA-N 423.491 1.061 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1286274863 PHVLBSOROZJVJI-ZIAGYGMSSA-N 421.523 1.412 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1286299875 ZOTJMQCFKABBKO-DZGCQCFKSA-N 405.549 1.803 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286321629 SQQXXRPNQCIEQA-UHFFFAOYSA-N 404.540 1.937 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCOCC1 1286358073 HAIGZMWYNQMKBJ-UHFFFAOYSA-N 422.533 1.464 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286393059 JJFSODDSJLJBTL-MSOLQXFVSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1286426160 MDZIAVCUCVDLNY-GOSISDBHSA-N 411.531 1.936 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286446069 CVNFOEFNLMXXFJ-MRXNPFEDSA-N 414.510 1.496 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286495534 YOUZNFORIYNXJQ-KRWDZBQOSA-N 418.567 1.233 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286507146 DNQNMPGUJZVBOI-UHFFFAOYSA-N 412.563 1.935 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286706423 OCEADLDATHQVSD-SFHVURJKSA-N 418.542 1.459 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1288214378 YKQAVAUKASMDAQ-KRWDZBQOSA-N 423.521 1.692 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1288321826 MFDAGDCXNKRYDF-PXNSSMCTSA-N 412.450 1.560 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(C#N)cc3F)ncnc1-2 1293079585 NSIJDSVHSPZJGA-UHFFFAOYSA-N 418.230 1.352 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)c1 1296626272 WYYRRYUHKLLLBU-UHFFFAOYSA-N 405.520 1.750 30 10 HDEE CCOCc1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297209189 QXTUHELUAHUQMI-ISLYRVAYSA-N 402.499 1.967 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300356282 BDJZOMCPGVBWCW-IAGOWNOFSA-N 401.511 1.807 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300496072 NMTODBICLKCOJD-HOTGVXAUSA-N 410.565 1.328 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1300621039 JWSKBDFOVDYPGK-IBGZPJMESA-N 422.533 1.882 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300734585 YFQDSKGQRWNCIT-HNNXBMFYSA-N 418.567 1.085 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301149948 IVQPHJOLBUQAGY-UHFFFAOYSA-N 421.571 1.753 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301248449 DQAYKHHIWZRCSH-GOSISDBHSA-N 412.498 1.583 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1301425127 RNLIOOSRLGKDLP-KRWDZBQOSA-N 415.542 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301492251 BVTHYHDUMWNRTB-JOCHJYFZSA-N 419.489 1.497 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CCCO2)C1 1301539972 YBFCFXHKZVZLRV-HDMKZQKVSA-N 413.544 1.239 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)C1 1301556286 GRRCZYPKTKVYEF-RDJZCZTQSA-N 415.498 1.454 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1303534106 BHPACRYDFSXCCF-UHFFFAOYSA-N 400.884 1.124 30 10 HDEE Cc1cc(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c(C)n1-c1ccc(C#N)cc1 1304199580 IUUPEGNUBDKIFL-DYVFJYSZSA-N 400.504 1.962 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@H](O)COc1ccccc1C#N 1308146943 QXTASFZYBYCQFY-MSOLQXFVSA-N 405.495 1.866 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1313218909 KSNOOUCCDSVIOO-KRWDZBQOSA-N 420.535 1.892 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)NCc3nc(C#N)cs3)CCO2)cc1 1313349940 CKEKGTWHBIQKHV-HNNXBMFYSA-N 406.489 1.701 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358960735 KSWMDYULSCQLNZ-UZLBHIALSA-N 417.535 1.518 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963636 LLJMISUDTCKLMD-GOSISDBHSA-N 408.568 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C 1359018557 URSKCVNLPFJNOT-GOSISDBHSA-N 416.570 1.721 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)c2nccs2)CC1 1359028338 OMHOTTUAYYKVRP-MRXNPFEDSA-N 413.551 1.530 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1359073602 XRYPXOGRKMURTL-JOCHJYFZSA-N 408.506 1.448 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359121986 QZQAMQQWZQYWSE-IRXDYDNUSA-N 420.539 1.167 30 10 HDEE C=C(Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1359140904 PYYJEEWZDOTCGA-GOSISDBHSA-N 417.535 1.925 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1440921998 FIZVUDGCJMPOIG-FLIBITNWSA-N 402.447 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)OC)CCCCC2)s1 1447601146 SVZOEAKSSCLMDR-UHFFFAOYSA-N 414.549 1.995 30 10 HDEE C#Cc1ccccc1CC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1447983319 SPWFUNDEEGBPBZ-UHFFFAOYSA-N 403.426 1.188 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1449431604 ZWUBZBOIGUXBGP-OAHLLOKOSA-N 421.494 1.708 30 10 HDEE Cc1ccc(C(=O)N[C@H]2Cc3cccnc3NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1455343662 VYFLLMNYZSVIAV-KRWDZBQOSA-N 407.279 1.982 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1455493497 JAYOROXFNNLYQZ-LSDHHAIUSA-N 403.545 1.634 30 10 HDEE CN(C)CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1465564758 POXNUZPXOAZYOD-UHFFFAOYSA-N 418.450 1.875 30 10 HDEE CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)C(=O)OCC 1467577614 FRWDBJIBAHQRHQ-AWEZNQCLSA-N 409.508 1.696 30 10 HDEE CC[C@@H](COCC(F)(F)F)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1468350783 DGSROWYDRZDKRF-NSHDSACASA-N 407.414 1.589 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1469871929 IPKDOIJVHDGBCG-MOPGFXCFSA-N 421.453 1.874 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1 1470281767 PQBGXEODEWJMBA-FUHWJXTLSA-N 423.473 1.234 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)CC2)cc1 1470637089 DCGVZNABSRIFCV-GOSISDBHSA-N 409.494 1.945 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1471717805 GCSNBCFAOPAYOV-QAPCUYQASA-N 417.510 1.466 30 10 HDEE C=CCN1CC[C@@H](N2CCC[C@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1=O 1473528653 YFZHFLZXRLKTOE-DLBZAZTESA-N 404.515 1.727 30 10 HDEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)cc2C1 1475491155 AOQQBMXTQSMQCI-UHFFFAOYSA-N 416.528 1.993 30 10 HDEE CCN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N(CCC#N)CCOC 1475806869 FBOBCVNZWBMHSC-INIZCTEOSA-N 418.560 1.815 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cnc4ccnn4c3)CC2)cc1 1476917165 HPXLAHIXEWUIGA-UHFFFAOYSA-N 411.447 1.139 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ccnc(-n4cncn4)c3)CC2)c1 1478901965 ONCFSSRWHOITHF-UHFFFAOYSA-N 416.489 1.998 30 10 HDEE C[C@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1493829255 IRXYOPOCELRWBJ-DNTCVELPSA-N 407.478 1.779 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1502056677 CPGNKPBWQVFUOR-CZIZESTLSA-N 424.509 1.832 30 10 HDEE CCN1CCN(CCCn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1502356034 HGEWEZKKXICJEB-NRFANRHFSA-N 412.517 1.810 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1503366569 BOSCQUUGLBGYFR-JKSUJKDBSA-N 410.434 1.409 30 10 HDEE COC[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504701479 XGKSYZBJOQIUCQ-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)c1 1504962796 AEOWVONHAXAVMS-DNVCBOLYSA-N 405.478 1.810 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1507667620 QFPRHWQKLPLEKC-IBGZPJMESA-N 416.485 1.026 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507755652 GQKUWYBSXOJSFL-INIZCTEOSA-N 414.535 1.907 30 10 HDEE C=C(Cl)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1507853038 BOCAOFJONANPHU-UHFFFAOYSA-N 409.277 1.550 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCC)CC1 1508097818 KZXSLZHMPNVFRM-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1513461141 HGVUCRDFNMVQLU-IRXDYDNUSA-N 424.509 1.247 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)[C@H]1CCCO1 1517658178 UUSFRUWUOHTFIJ-RWMBFGLXSA-N 402.925 1.852 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)cc1 1518131419 SGHGCIPXQCEQNI-FQEVSTJZSA-N 402.474 1.974 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)c1Br 1528813972 OLXZHOSWOQZSLQ-UHFFFAOYSA-N 412.309 1.961 30 10 HDEE Cc1nn(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)c1C#N 1531925010 GHTUMJKXDPKJRU-GFCCVEGCSA-N 404.496 1.612 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C 1539029940 MZOHRXJRGDTFIT-CKFHNAJUSA-N 403.508 1.267 30 10 HDEE Cc1ccc(OCc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)cn1 1539118082 HAVSMARQQMOOFG-GHTZIAJQSA-N 411.483 1.979 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539118695 DKZDDROXIBJYEA-KRWDZBQOSA-N 423.583 1.836 30 10 HDEE C#C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1539316454 IVJHIWYDHBJERB-KRWDZBQOSA-N 418.515 1.873 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1 1539340762 QJIBDTXWHDPCLX-QGZVFWFLSA-N 411.510 1.353 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1539360034 XTVIOMBHVSSKIE-UHFFFAOYSA-N 411.462 1.415 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCC(C)(C)COC)CC1 1539428501 SGIMMSICGCIUAQ-UHFFFAOYSA-N 404.559 1.624 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCC(=O)N(CC)CC)CC1 1539446239 ABIAPZIRAWCOSO-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC 1539517068 HWEPGHBEQDIKCM-HNNXBMFYSA-N 415.585 1.214 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1539981166 DCQNUPVIBDUFBM-DZGCQCFKSA-N 423.543 1.930 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540033256 CFRZVUNCOLVUPD-UHFFFAOYSA-N 413.526 1.766 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)C3CC3)CC2)s1 1540673157 RFBDDMRXZJXMIX-UHFFFAOYSA-N 411.549 1.272 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC=C(C)C1 1540864829 LZKKBGHWKFMCRW-UHFFFAOYSA-N 415.519 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(=O)NC)CC1 1540864900 OMIYFBPVHGCGJT-UHFFFAOYSA-N 416.913 1.863 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(C(C)(C)C)CC1 1540873266 SINFWGJTRDHHPK-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CN(C)C2=O)C1 1540895428 RXHSJAFRJDRXEJ-UTKZUKDTSA-N 413.526 1.399 30 10 HDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1544249063 BVJWFECTAFORLJ-QGZVFWFLSA-N 423.521 1.491 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O 1545893466 AMAGIPXFFUAHLQ-LJQANCHMSA-N 424.571 1.761 30 10 HDEE CC1(C#N)CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1546141446 IFGVNEWYAIMURF-AUUYWEPGSA-N 411.524 1.420 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1552754333 CPNQKABBBPCMOG-IAGOWNOFSA-N 412.523 1.772 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C(=O)C(C)(C)C)CC3)n2Cc2ccc(C#N)o2)cn1 1554332904 WFVATPXILWFZIP-UHFFFAOYSA-N 422.493 1.886 30 10 HDEE COCC[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555454161 VRUUELRSMIFZJZ-MEUCICPISA-N 414.510 1.935 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1555511392 AEGHILLFWCGNFG-UHFFFAOYSA-N 415.461 1.923 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CC1 1558072889 HCQXKAFFRYFNRN-UHFFFAOYSA-N 424.482 1.576 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 1563652465 PONYSOITYMHPJS-OAHLLOKOSA-N 412.512 1.157 30 10 HDEE N#Cc1cccc(OCC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 1585928415 IGYVRWQNGQKGCS-UHFFFAOYSA-N 407.474 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1587626213 IXIOKPZOFGUQEE-ZDUSSCGKSA-N 414.491 1.487 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Br)sc(C)c2C)CC1 1588199369 NEZHDEQYVVYFKK-UHFFFAOYSA-N 420.354 1.353 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccnc2OC)CC1 1588806111 GYYZAVJLAMFTGC-UHFFFAOYSA-N 403.490 1.856 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1589089546 SRZDTVRNCXRKFF-HOCLYGCPSA-N 416.576 1.715 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OCC)c1 1595345083 AHVFARJZTTWMKE-SJLPKXTDSA-N 407.488 1.714 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)c(C#N)cn1CC 1597857344 QYTCDURITPVWLU-CYBMUJFWSA-N 412.450 1.672 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@@H]1CCCOC1 1603346008 LZVUTCPTXZKGOY-UKRRQHHQSA-N 403.464 1.412 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1610445493 GDNNZFWZTYTDSR-WOJBJXKFSA-N 422.505 1.533 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc3c(s2)COCC3)cc1 1611043680 IMNZFADHTCFTNL-UHFFFAOYSA-N 406.489 1.338 30 10 HDEE Cc1ccc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1611460838 HMXYQHXHGALAMW-HNNXBMFYSA-N 400.479 1.951 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCc2noc(CC)n2)CCOC1 1616139829 BQHJOOQTOCAOJV-LIRRHRJNSA-N 403.487 1.714 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC1 1620161003 WDFHHADSLSRJQX-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@H]32)n(-c2ccccc2)c1C 1620526657 PPQMDVCKONXNFD-FPOVZHCZSA-N 421.501 1.884 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3nc(-c4cccs4)cs3)C[C@H]1CS(=O)(=O)C2 1620611150 LSFDWVQTJLKJDK-ZBEGNZNMSA-N 408.530 1.680 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN4CCOC[C@@]4(CO)C3)c2C#N)C1 1620619124 VTNOFXFKAKGYEZ-BTYIYWSLSA-N 418.563 1.452 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CC(=O)NCc2ccc(C#N)cc2)C1 1620633366 OONSPMUZFRGRPU-OAQYLSRUSA-N 402.495 1.526 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccnn1Cc1c(OC)cc(OC)cc1OC 1624047386 GTVPWFASDQSVEY-CQSZACIVSA-N 402.451 1.853 30 10 HDEE N#CCCn1cc(C(=O)N[C@@H](CO)CN2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 1625505774 QTBWGCQOOZOFMS-MRXNPFEDSA-N 412.450 1.558 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(=O)OC 1626208155 KJECYKLDIQFTSW-ILXRZTDVSA-N 413.268 1.782 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(CC#N)CC3)CS(=O)(=O)[C@@H]2C1 1626551111 RKUFPBVWTFAPBH-RBSFLKMASA-N 411.524 1.467 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)c1 1627461867 SIQLCGMVAZIMAB-MRXNPFEDSA-N 413.434 1.803 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CN(C)CCN1C 1628389912 FULVEWWZRLRMQI-DHSIGJKJSA-N 403.914 1.315 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cn2ccc(Br)cc2n1 1631845810 HPSXXOPWLLUXFD-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1ccc(Cl)c(Cl)c1 1632885134 QSDHWIXKGNRSBN-GFCCVEGCSA-N 415.258 1.543 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(O)(c2ccc(Br)cc2)C1 1633073665 LIYYJDFNLDSQEL-WUKNDPDISA-N 420.263 1.395 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nn(C)c(C(F)(F)F)c1Br)C(=O)OC 1635158480 BRCNMIIEPWMETP-SSDOTTSWSA-N 414.178 1.675 30 10 HDEE C#CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CCN(C)CC1 1635683251 HWFDSGAXYOKKPC-LJQANCHMSA-N 422.570 1.598 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)C(=O)OC 1637696455 FHQJOLVTNQLTGD-CQSZACIVSA-N 400.884 1.712 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C#N 1638398421 VIQWTBFTSPBIJP-KRWDZBQOSA-N 401.536 1.728 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCOC4(CCS(=O)(=O)CC4)C3)c2c1 1640536227 PZMLTRXLIHNWFI-UHFFFAOYSA-N 417.487 1.908 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C[C@H]23)c1C#N 1641127972 UIHMXRZATPFZMB-RSUWNVLCSA-N 402.499 1.921 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1641583133 QAELTTRRHDBWEG-DLBZAZTESA-N 422.551 1.954 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 1643675574 ZYBCNHPPKFZIPN-UAGQMJEPSA-N 421.519 1.889 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCCCN2Cc2ccccc2)C1=O 1644173169 XKHPQEKUCZLUSZ-GOSISDBHSA-N 412.490 1.476 30 10 HDEE C=CCC1(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CCOCC1 1645061250 LEGNCQJYJFIFQJ-MRXNPFEDSA-N 409.527 1.991 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1645274657 SOHSNEPHXSLSBU-SJORKVTESA-N 406.527 1.106 30 10 HDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1645738091 WZEBDVZQXRZKAD-UHFFFAOYSA-N 403.826 1.802 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)CC2=O)cc1Cl 1645897546 RDIHIZJTJDIBCK-MAUKXSAKSA-N 416.909 1.622 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2c(C)cc(C#N)cc2C)c1 1648544793 DLWZDWIQWOEFMN-CQSZACIVSA-N 414.487 1.840 30 10 HDEE Cn1c(N[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(C#N)c(=O)n(C)c1=O 1652097919 CYFOKODARDAPNJ-CFVMTHIKSA-N 417.510 1.792 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)OC)C[C@@H](C(F)(F)F)C2)c1 1654222824 GVODDLAGZXGJFB-UONOGXRCSA-N 411.380 1.989 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H](C)N1CCOCC1 1660119575 CLRKQEJIEUDIOG-GHMZBOCLSA-N 420.304 1.847 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 1664135094 JAFDVGJWFRURJI-VQTJNVASSA-N 419.547 1.805 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)nn1 1669875130 HCWZIWSAUBZLJB-UHFFFAOYSA-N 403.386 1.235 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1670678447 GBVGBELYLGYXDL-TXJVSEOTSA-N 403.504 1.734 30 10 HDEE N#Cc1sc(NC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)nc1Cl 1670814224 CNKKPMMBXBRGTM-ZETCQYMHSA-N 406.898 1.686 30 10 HDEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1678441011 BNFFBDNPBJTVQG-QGZVFWFLSA-N 421.505 1.790 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCOc2ccc(I)cc2)CCO1 1680488686 NESGXJBAWSNJQG-OAHLLOKOSA-N 415.231 1.994 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1689851818 VWAPQXKKDXZZSL-WNRNVDISSA-N 421.567 1.444 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC=C 1689862566 CATADEMDGBYKMD-MRXNPFEDSA-N 413.503 1.787 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1689907859 OCHOJTCIJZQLKA-QGZVFWFLSA-N 400.527 1.811 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689998900 ZYYWOXCPTBWPTC-FUHWJXTLSA-N 415.519 1.508 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1690047096 LJEOHLACRMYGQM-OALUTQOASA-N 408.506 1.646 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCOCC1 1690254766 IPHYPZVSXVSMSD-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690481799 PWNPXPSNPPLFEM-QGZVFWFLSA-N 423.525 1.436 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1692847826 GSLDDISETYDMNE-HTXNQAPBSA-N 420.477 1.930 30 10 HDEE CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696431661 QBGMFWDBBOFKJF-UHFFFAOYSA-N 407.482 1.308 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1697833390 RIBZEFJZHLGCID-UHFFFAOYSA-N 423.477 1.960 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(C(C)=O)CC1 1698115662 NJXOQXCKNXUNAA-CVEARBPZSA-N 406.531 1.856 30 10 HDEE C=CCn1cc(C(=O)N[C@H](CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)nn1 1701261429 JENGIHGTODUZBQ-GZXFCSGKSA-N 401.511 1.490 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Cl)cn1 1705547344 FFWDCODLWYPTCN-UHFFFAOYSA-N 408.857 1.540 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](C)N(C)C 1705557514 WEPSFDRODHIKJQ-HXUWFJFHSA-N 409.582 1.662 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705560047 HZARAFMMLXJLJH-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCC1 1705589054 MUQFJCSAKIUEAM-ROUUACIJSA-N 420.583 1.083 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1705611657 LLJSFFQYJCEZBM-CQSZACIVSA-N 419.507 1.433 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccsc1 1705627906 RWRDOJJJSSFFEQ-DNVCBOLYSA-N 403.508 1.284 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C 1705630885 KDDAAYBMOFDTLI-IIBYNOLFSA-N 418.469 1.622 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705644718 AALCULXPFARTQC-OAHLLOKOSA-N 418.542 1.808 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705688379 QTXPPVFDLMUKKS-LRDDRELGSA-N 412.288 1.722 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705693756 KDZGBEMRMKAGSV-UXLLHSPISA-N 404.515 1.064 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1705884870 ZMNARGKDVDVFFP-HOTGVXAUSA-N 414.597 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)(C)C)CC1 1705897958 XWYGRMAFIRWKMJ-INIZCTEOSA-N 408.547 1.225 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCSC[C@@H]1C 1705937448 UGBHCMQACOSXOV-HNNXBMFYSA-N 407.565 1.806 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711148495 USGNPPJUTALEFK-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCOCC(F)F)cc1 1712878508 GFZGKGDOSGSSPN-HZPDHXFCSA-N 416.432 1.813 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722332973 FUWFNHSRLSQFOT-ROUUACIJSA-N 421.567 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[S@@](=O)C(C)(C)C 1722387624 NPZPWBSUOSDECW-MUUNZHRXSA-N 403.552 1.524 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1722405490 DBDPHGDAVNOROM-BTYIYWSLSA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722430045 ZNYCQWWFMPEYEO-MRXNPFEDSA-N 409.556 1.303 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(=O)NCCc2ccccc2)CC1 1722439826 QVZOCPIGFITTBC-UHFFFAOYSA-N 406.534 1.345 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCC2)CC1 1722448729 GGWKSZYNPQIFSK-UHFFFAOYSA-N 408.506 1.145 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722451532 KWOFIVLLAAPDFE-BEFAXECRSA-N 423.539 1.399 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1722671440 STVSFLVGWWMDNG-QZTJIDSGSA-N 401.559 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)CC1 1722737260 YLCAQKUYLRHZJP-QGZVFWFLSA-N 411.572 1.508 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCOCC1 1730871721 WLRIQQLMILUDSY-APWZRJJASA-N 418.542 1.605 30 10 HDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CC(=O)N1CCOCC1 1740643082 FRDJRCDIIKYVBO-UHFFFAOYSA-N 405.502 1.385 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CC1 1740658692 PGVSWAAIUQIGKM-UHFFFAOYSA-N 414.535 1.180 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC)C1 1740751220 ZMIFMJKPQZPFTH-IKGGRYGDSA-N 407.515 1.249 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1740887201 FDKNHWPCLCLWLR-MRXNPFEDSA-N 411.514 1.586 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)C1 1740976235 IGLHKPVRXSIXRF-CQSZACIVSA-N 410.400 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CC=CCC1 1740990771 FNBMXRMIPGTASV-HZPDHXFCSA-N 407.540 1.623 30 10 HDEE CCc1nnc(N2CCC[C@@H]2c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1744669403 BCGZIEQHTHSAIZ-RAJOGRCSSA-N 410.482 1.442 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCC(F)F 1748686737 VONLGGZYDGPFLJ-ZDUSSCGKSA-N 407.421 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1748891691 DJBQKZABVJHTGY-MSOLQXFVSA-N 403.552 1.127 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749020452 SYNGKAGVKUZDPT-JXFKEZNVSA-N 419.551 1.265 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@@H]1C 1749038899 YPWJKWUNLFUTKT-RRFJBIMHSA-N 414.622 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1749067160 QBSBLUDYUPETQT-OXQOHEQNSA-N 401.511 1.446 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(CCOC)C1 1749155973 OGJKOCGTHCVAKB-CVEARBPZSA-N 404.515 1.127 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749210325 HLDCBCDLJZNDSV-JKSUJKDBSA-N 404.515 1.256 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749630033 MOKJXLWWQHMQKR-SJORKVTESA-N 420.539 1.085 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[C@H]1CC 1749721353 HXIPOLLLTMVCPU-JKSUJKDBSA-N 409.556 1.740 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2CCOC[C@H]2C1 1749762118 POMAOIQPWQBFCK-GOSISDBHSA-N 400.552 1.704 30 10 HDEE CC(C)(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1750471726 MFWICXCKTUAILL-UHFFFAOYSA-N 420.539 1.851 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1751572605 HBZLGEKATUNHCD-LJQANCHMSA-N 422.493 1.656 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760098051 NUBMIEVZDKRTDO-CABCVRRESA-N 420.539 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(N(C)C)cc1 1760206795 MPEKQDHMKNRSCS-UHFFFAOYSA-N 404.518 1.782 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760287010 CPSVIXSPKGNPCJ-KNBMTAEXSA-N 419.551 1.085 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760365522 AYHIRYZOCGIBMC-GFCCVEGCSA-N 410.887 1.301 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)nc2)C1 1760545927 FDLUAGKXMXLVAB-GOSISDBHSA-N 419.489 1.587 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1763033951 AFVDNTYQPXICNC-JCGIZDLHSA-N 410.478 1.024 30 10 HDEE CCn1cccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)c1=O 1766960682 HENGBLLOIYDFSN-OAHLLOKOSA-N 419.493 1.193 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CC#N 1769393634 IOVVDHHORAEMAC-ZQIUZPCESA-N 404.471 1.923 30 10 HDEE COc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1770085482 YKOSWWPOUUIGOG-UHFFFAOYSA-N 408.418 1.411 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(C)cc1 1850311939 MPPOFCUEJAWIPD-NRFANRHFSA-N 424.522 1.726 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)cn1 1850809768 GFDHMORTPLYOJQ-SFHVURJKSA-N 422.407 1.860 30 10 HDEE C[C@H](CCC#N)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1851937458 NVWCTAIKLCBPEF-OAHLLOKOSA-N 400.504 1.745 30 10 HDEE N#Cc1cc(Br)ccc1NC(=O)CCCN1CCS(=O)(=O)CC1 1853176336 VRAGYQMOPQSXHJ-UHFFFAOYSA-N 400.298 1.770 30 10 HDEE CCOC(=O)C(=NS(=O)(=O)c1ccc(C)cc1C)NOCCN1CCCCC1 1853495192 PXAPWDAMRJJPDN-UHFFFAOYSA-N 411.524 1.961 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1853746819 NTQZVTJSKXLTDY-SFHVURJKSA-N 421.494 1.743 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC[C@H](S(C)(=O)=O)C3)C2=O)cc1C#N 1854106704 BMRVKQNSCFBYOZ-ROUUACIJSA-N 403.504 1.507 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCCO4)C(=O)C3)C2)c(F)c1 1854318952 LMKQCUZBIOIRMP-ICSRJNTNSA-N 414.481 1.512 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1=O 1854331055 SRHQZZNMLSDAJE-QZTJIDSGSA-N 405.445 1.744 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CCC(COc4ncccc4C#N)CC3)C2=O)no1 1854865084 RVHWUCOIHWWJDQ-GOSISDBHSA-N 409.446 1.782 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(CC(F)(F)F)c3cccnc3)C2=O)CC1=O 1854993912 CEDQLHKZJQJYOX-ZFWWWQNUSA-N 410.396 1.612 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1 1855552425 DYHAIGRPUKZFQI-UHFFFAOYSA-N 405.520 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)C1 1855837304 JDKRDELRUMWNEH-IRXDYDNUSA-N 420.510 1.233 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(F)c3)C2)CC1 1855853149 LRCJNHDGJUTTDQ-MRXNPFEDSA-N 407.449 1.903 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)CCC(F)(F)F)C2)CC1 1855873058 OODUSGSOWLZADS-CQSZACIVSA-N 409.412 1.793 30 10 HDEE Cc1noc(C)c1C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855888986 LIBGXNAHJAVTDS-INIZCTEOSA-N 408.462 1.369 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C(=O)[C@H]1C 1856289298 QUJMZSSPIKTMBK-JKSUJKDBSA-N 408.462 1.057 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCc1ccccc1 1856331637 YYTLPGZMUINCAC-INIZCTEOSA-N 411.483 1.804 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3ncccc3n2)C1=O 1856728405 HITPJZCIVRYXFX-RTBURBONSA-N 407.474 1.480 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)CC1=O 1856816944 VCVWBSFBVURCLF-WMLDXEAASA-N 407.467 1.276 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 1856871407 VYUZTFIBQFJGMS-INIZCTEOSA-N 411.483 1.690 30 10 HDEE CC(=O)CCC(=O)N1C[C@@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CC1=O 1856928817 LAHSHEKTPPTCBM-LJQANCHMSA-N 412.490 1.788 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ncoc2C(C)(C)C)C1)[C@@H]1CCN(C)C1=O 1857228179 NGEJYRPHWYUUER-LSDHHAIUSA-N 402.495 1.680 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(O)c5ccccc5n4)cnc32)cc1 1870100794 IIZPYDDZHNPJLO-UHFFFAOYSA-N 410.397 1.605 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)COc3ccccc3)cc2C1=O 1870147780 HEZCUUHJAQZFIT-UHFFFAOYSA-N 402.370 1.382 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nnc(C)s2)cn1CCO 1870571588 HBVDYFAZNFFMTK-UHFFFAOYSA-N 419.507 1.192 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871535145 NGJVHMPNWGVVIZ-UHFFFAOYSA-N 410.526 1.569 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc(OCC(=O)NCCN(CC)CC)cc1 1872726876 RRZTYNBBKHLXBW-UHFFFAOYSA-N 409.552 1.886 30 10 HDEE O=C(N[C@@H](CS(=O)(=O)CC#CBr)C(=O)O)OCc1ccccc1 1883383027 DQPIOAQUHMOLNV-LBPRGKRZSA-N 404.238 1.137 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc4cc(C)nn4c3)CC2)CC1 1889421676 PIYZMYOSUAMDNW-UHFFFAOYSA-N 424.549 1.300 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1925825528 UZJYTLCNYQJNGH-HUUCEWRRSA-N 403.545 1.852 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985101594 UZORZBUIWNVXLU-TTZDDIAXSA-N 410.320 1.813 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@H]1CCNC(=O)OC(C)(C)C 2174782070 MGBJQOWISNHBPZ-OWCLPIDISA-N 400.545 1.949 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174784589 PQNRHILFCNQSKQ-CEXHIMGSSA-N 423.561 1.031 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNS(=O)(=O)c2ccc(C#N)s2)C1 2230128283 XFNNAZSZOGAASA-MRXNPFEDSA-N 401.510 1.660 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNS(=O)(=O)N1CC[C@@H](C#N)C1 2234595477 XRQRHPDEXWHLAN-QWHCGFSZSA-N 408.471 1.701 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2243431702 NAICDNAHIHRRPU-UHFFFAOYSA-N 401.194 1.064 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2OCc2ccccc2)n1 2247921998 ZIKLJJJNJHBQDA-CVEARBPZSA-N 412.299 1.592 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H](C)CC[C@H]1C1OCCO1)B1OC(C)(C)C(C)(C)O1 2255954020 RRCLDIUTCUAKFB-HIFRSBDPSA-N 401.334 1.977 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258132341 GYZMNDHKBATFMZ-RDJZCZTQSA-N 408.476 1.129 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C(C)(C)C 2258133497 IBBUZYWMQFHRIT-JKSUJKDBSA-N 410.492 1.422 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282060132 RZDXQMHDUHANDI-NSHDSACASA-N 402.347 1.384 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333527 PXFDWBMZKXOLSY-YMXBGEKHSA-N 401.359 1.421 30 10 HDEE CC1(C)[C@@H](CN)C[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339217 WZUZYYCRZFLHAS-YPMHNXCESA-N 400.375 1.699 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)CN1C 2282344659 COUXVOGQBKIQEN-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCOCC(F)(F)F)OC1(C)C 2282424505 CRYJOPYVAKMHDT-UHFFFAOYSA-N 415.264 1.905 30 10 HDEE C[C@H]1CCC[C@@H](CN)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493796 VPPNVYFOMFFDLL-STQMWFEESA-N 400.375 1.938 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282610821 BXDCBYNXKRFCIY-MNOVXSKESA-N 402.347 1.336 30 10 HDEE CC(C)(CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)NS(C)(=O)=O 2282622412 FRMGWHPHTXVABB-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE C[C@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833390 HRYDXBWQHIWMCO-NWDGAFQWSA-N 401.363 1.084 30 10 HDEE CC[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282838282 MAAQPFVVINWNHR-GFCCVEGCSA-N 403.379 1.202 30 10 HDEE CN(C[C@@H]1CCSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282855691 IITVRWMXFYLWCA-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE C[C@@H](CO)CC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282863878 XNZVAJRGFFDAOY-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE C[C@@H](N)[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282870454 SGIVLSXKWWTSGT-OLZOCXBDSA-N 400.375 1.546 30 10 HDEE CC(C)C(=O)NCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878250 CUXSUDNZNGSXNG-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CN(CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)CC(=O)O 2284464062 FFUFQDRNWAYBJP-UHFFFAOYSA-N 402.709 1.447 30 10 HDEE C[S@](=O)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl)C1 2285976836 WNNQRRWOOIKCQA-SANMLTNESA-N 401.696 1.981 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOC[C@@H](F)C1 2361993258 WTDWEUSGVTZNCX-LBPRGKRZSA-N 405.322 1.715 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCc2nnc(Br)n2C)[nH]1 2362160212 PIHFOSBLKSDVTP-UHFFFAOYSA-N 422.136 1.657 30 10 HDEE CC[C@@H]1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365195993 HTMZECOGOLQLJT-CLCXKQKWSA-N 402.557 1.681 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCNC(=O)OC(C)(C)C 2365202560 OGFONSOFEZRUAC-KXBFYZLASA-N 404.573 1.847 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2365214185 YEJMWYDQAQJMNX-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C 2367797611 WCPBHMHSFJJLMZ-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367812597 VKJJTXYYEYIZKL-ARFHVFGLSA-N 400.541 1.292 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813198 AOSBNUSZJPOARD-ZRGWGRIASA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367813385 CWNWPLGANKNASL-JJXSEGSLSA-N 400.541 1.339 30 10 HDEE O=C(NCc1cccnc1)c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1 2958827 DFAVFIYIQYBIOY-HZPDHXFCSA-N 402.501 1.501 30 10 HDEE N#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 7067518 ORRBBTLZIYQWAV-SFHVURJKSA-N 403.435 1.841 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2Br)CC1 31350680 KVVOGMDIUUEWSN-UHFFFAOYSA-N 402.314 1.058 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2CCC)CC1 49618434 HUWMIIWFEIKTBX-UHFFFAOYSA-N 409.534 1.944 30 10 HDEE N/C(=N/O)[C@@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 161135684 VPLVRIJGYBRRCW-JTQLQIEISA-N 407.062 1.799 30 10 HDEE COC(=O)c1cc(OC)c(OC)c(OC)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 427114051 MVOHRXMQGVHVOO-UHFFFAOYSA-N 421.431 1.875 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)n1 427444987 WQTSLHRPOAIEFB-CQSZACIVSA-N 400.420 1.837 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccc(OC(C)C)c(C#N)c2)CC1 441669298 MKTYIZNOLGPEGZ-UHFFFAOYSA-N 416.478 1.380 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 461193740 STIBPXZSEVWUMU-SWLSCSKDSA-N 407.565 1.919 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(F)c1 467152766 RRLUXHXAVJDOTL-CQSZACIVSA-N 413.446 1.629 30 10 HDEE N#CC1(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCN(Cc2ccccc2)CC1 479249529 RMWMKGMRFJPRAU-UHFFFAOYSA-N 423.517 1.916 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C[C@@H](C)O1 480619436 ZZZJRUIPCZKIQM-RKVPGOIHSA-N 412.943 1.876 30 10 HDEE Cc1c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cnn1-c1ccc(O)nn1 482636256 IJPCILUUNZEMJM-UHFFFAOYSA-N 417.473 1.965 30 10 HDEE Cc1nc(=NS(=O)(=O)c2ccccc2Cn2ccnc2)n(-c2ccc(C#N)cc2)[nH]1 494092653 QGKQMEKHDUUONW-UHFFFAOYSA-N 419.470 1.915 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N(CCC#N)Cc2ccccn2)c1 505213164 IEVAXQUYSPLWKI-UHFFFAOYSA-N 402.476 1.562 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(Cc2ccco2)c1C 510657160 IIVZRAOOQJRHFJ-OAHLLOKOSA-N 419.507 1.309 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 540068926 KHCGYBGNROGNIN-GOSISDBHSA-N 418.519 1.715 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)c1=O 544889117 WHPFBCJHSABHDS-UHFFFAOYSA-N 404.434 1.192 30 10 HDEE CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 564484093 FSLORHXFFCMGEA-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE C[C@@H](C#N)CN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CC1 564513603 LRPZXBDOPOZNJK-NSHDSACASA-N 400.298 1.878 30 10 HDEE N#CCc1ccnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 565867861 NIFHUUHSFPECAR-HRCADAONSA-N 404.492 1.196 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 568785294 BKVCUMDNZMWTFM-QGZVFWFLSA-N 401.442 1.934 30 10 HDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1nnnn1C 568785392 GEGGLJOWBPLMLB-UHFFFAOYSA-N 415.889 1.598 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCCN(c3ccccc3F)CC2)c1 570892669 BLVQFPJHHBHDJD-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 576370244 KWLATIYUXJBZTK-LJQANCHMSA-N 407.470 1.957 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)o1 603797349 CFRVAFZJNYJOLY-OAHLLOKOSA-N 401.488 1.018 30 10 HDEE CC(C)OC(=O)[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 609889257 HLHZCUALFJTGMO-IRXDYDNUSA-N 412.446 1.706 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC[C@@H]3C(F)(F)F)C2=O)cc1 610047416 FBZXUKCNDIIJEW-UONOGXRCSA-N 410.352 1.553 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 611351531 SKGZBJRSDPFTKR-OAQYLSRUSA-N 404.470 1.969 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619107110 XTRUYASPTKPKTA-UHFFFAOYSA-N 413.503 1.007 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(CCC#N)c1ccc(F)cc1 619435675 BXIZXUCBRSFPKK-LJQANCHMSA-N 402.426 1.688 30 10 HDEE C=CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)NC(CC)CC)Oc2ccccc21 679532156 JEJSAQUYHFCHRN-SFHVURJKSA-N 403.479 1.404 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCO)c(F)c1 703981926 VUAIVXNISQYJDX-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(C)ccc1I 726059609 GFQIRKQSYAXHGG-UHFFFAOYSA-N 402.188 1.768 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O 730713714 PTXXCBZOPWPZCR-INIZCTEOSA-N 401.492 1.874 30 10 HDEE C#CCN(CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731213893 YWAOQVCYFKFQNQ-HNNXBMFYSA-N 410.492 1.163 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1 731860974 CQZXXVCAIJFSTO-UZYVYHOESA-N 424.482 1.934 30 10 HDEE COc1ccc(CCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732456739 TWCZTVKBIMWKRF-VHEBQXMUSA-N 402.451 1.462 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)s1 746428793 NRUAJXJVUMJZJZ-LLVKDONJSA-N 407.473 1.528 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cn1c(C)nnc1-c1cccc(C#N)c1 747822335 ARXUVOQCGHTPAV-TVFCKZIOSA-N 409.446 1.508 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](Nc3ccc(S(N)(=O)=O)cc3C#N)C2)c1 748284262 XRUZWFAPVMEGMR-AWEZNQCLSA-N 402.476 1.914 30 10 HDEE C#CCN1CCN(C(=O)CON=C(N)c2ccc(COc3ccccc3F)cc2)CC1 749873930 JBDFZAJCUHFUNR-UHFFFAOYSA-N 424.476 1.819 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 756874922 FIYUHWCEJUNIGS-ZHRRBRCNSA-N 419.489 1.674 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 759009566 CKCUPHMFBJVIGK-JOCHJYFZSA-N 413.518 1.207 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)CCN1C1CC1 767774075 KAXYCILRTMRULN-GOEBONIOSA-N 409.483 1.602 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CC3)CC(C(=O)OC)=NO4)cc2C1=O 771460711 WCNXYQQTVXFBPE-UHFFFAOYSA-N 411.414 1.393 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)[C@@H]1CCS(=O)(=O)C1 774040017 OVRBPIDGGLBOMI-OAHLLOKOSA-N 408.476 1.915 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780204994 LGTSZVIWTFWUFW-GOSISDBHSA-N 417.443 1.024 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1OC 780863839 SKPZAJDUCDRXAE-HXUWFJFHSA-N 409.442 1.593 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(CO)Cc3ccccc3C2)ccc1F 781098471 QHTYXRYTEAKUPS-UHFFFAOYSA-N 404.463 1.550 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CCC1 784551172 PXHRZDGHFAPHPW-XHSDSOJGSA-N 403.508 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 788820970 VPBLGYSOGNBSSD-SFHVURJKSA-N 420.510 1.517 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cnccc3C#N)CC2)C1=O 793672105 GGWORXJCDGPWKY-QFIPXVFZSA-N 404.474 1.890 30 10 HDEE C[C@@H]1OCC[C@@H]1N(CCO)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 797615757 DHUGEURZPHUBTI-GTDBQLIHSA-N 424.523 1.503 30 10 HDEE C=CCN1CC[C@@H](OC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)C1=O 798571257 ZLLSYIQCETXSTM-MRXNPFEDSA-N 407.430 1.784 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(OC)c1 798744040 HEMNJYWBNDASJK-CJNGLKHVSA-N 413.434 1.635 30 10 HDEE CSc1ccccc1NC(=O)CN(C)C(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798746546 VYSVAYKYYDLYOF-LBPRGKRZSA-N 416.463 1.073 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 800970658 CGPFODOWQGTYTO-CQSZACIVSA-N 403.435 1.656 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)Nc3ccccc3)C2)n1 801078086 UMBINMPMBDRYGP-IBGZPJMESA-N 424.505 1.981 30 10 HDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCC2CS(=O)(=O)C2)c1 803195881 OKEBNFPVENIJNK-UHFFFAOYSA-N 413.528 1.994 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812265028 ZTQZUPWOSVTAAI-SJORKVTESA-N 418.519 1.961 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 814398774 MRTGOQSSGOIGIO-UHFFFAOYSA-N 407.492 1.877 30 10 HDEE CCOC(=O)[C@H]1CCCc2sc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)nc21 817495192 HAMHLKYJNCSCQY-JCNXWTJJSA-N 418.475 1.981 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)cc2)c1N 856609432 ZSTMIOYHIYDERS-RBUKOAKNSA-N 415.457 1.317 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)Cc2ccccc2C#N)NC(C)=O)cc1 916178475 ZLZMBTNWIBDNTK-IBGZPJMESA-N 415.471 1.780 30 10 HDEE Cn1nc(CC(=O)[C@@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2c1=O 916967194 WVLQHVGZCZZIHK-MRXNPFEDSA-N 418.409 1.595 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1128108976 FVIJPDSKWKBZDD-HOTGVXAUSA-N 413.268 1.636 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)CC1 1135889507 LNIHAUMARUDNID-QHCPKHFHSA-N 405.502 1.629 30 10 HDEE C=CC[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1)C(=O)OCC 1138146894 COIUFLZQNKLFHX-XGHQBKJUSA-N 404.463 1.773 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1144923537 QKVCFIVLIHFKIW-XYJFISCASA-N 422.547 1.866 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1149468753 GXWJHZKJUJCFLO-UWJYYQICSA-N 400.479 1.941 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N(CC#N)CCC(=O)OC 1152127867 BPRSBHHIOFRLDG-NRFANRHFSA-N 412.446 1.291 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1153320096 VPWWGYBDFOFTFB-GFCCVEGCSA-N 405.314 1.756 30 10 HDEE COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176710002 MSQQQBKXAGHIEX-SQWLQELKSA-N 402.394 1.790 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)C1(C#N)CCOCC1)OC2=O 1178241178 MGZXINOTJLGCFY-OAHLLOKOSA-N 421.494 1.756 30 10 HDEE CCN1CCN(CC(C)(C)NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1226375880 HTRWLUJAMSUNQO-UHFFFAOYSA-N 413.570 1.637 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3c4ccccc4OC[C@H]3CO)C2=O)cc1 1227632885 QYWQWGXMRFHNOQ-YFVAEKQCSA-N 420.469 1.701 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCC4(CCOCC4)O3)C2=O)cc1 1248374483 AXPNISAWJMTYJX-OALUTQOASA-N 412.490 1.687 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC(F)(F)c3ccc(Cl)cc3)C2)c(=O)nc1O 1248547198 CNIDBYOKLJXLCQ-UHFFFAOYSA-N 409.780 1.832 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1270235013 IDLZWQGWJWGYIZ-INIZCTEOSA-N 412.877 1.553 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOC1=O 1286365134 TVRYGBWRQZFOOH-UHFFFAOYSA-N 407.272 1.947 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1286382361 AHYXGGOGFCDNDQ-HNNXBMFYSA-N 406.512 1.352 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@H]1C 1286409439 LOCDMBIBOSTDSK-XWFZLUIHSA-N 408.458 1.403 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1286409488 MNUXSTLNOJAIJB-MRXNPFEDSA-N 416.478 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1286416606 PZFCCNMRFUHOIP-VGOFRKELSA-N 405.458 1.341 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCN1CCOCC1(C)C 1286428563 NKETUJSEONCEJD-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C 1286436454 JBVKSWPWZYFVOJ-UHFFFAOYSA-N 411.466 1.607 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCOCC2)CC1 1286492520 HQSJYQAHEMZIAP-IBGZPJMESA-N 415.538 1.912 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286712171 SXNUXVLLBRNEPN-UHFFFAOYSA-N 420.558 1.644 30 10 HDEE C#Cc1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1 1298093228 PWKWJKBVYCGELB-UHFFFAOYSA-N 404.513 1.744 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(Cc2ccccc2)c1 1300428807 OOHUZISFJCMFAN-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1300430622 OYHYMMMOXHSKQB-HNNXBMFYSA-N 401.442 1.485 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)NC 1300563450 JSHORSSDZQWXMZ-UHFFFAOYSA-N 411.487 1.703 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O 1300591444 QRTJAASGQSHHQN-QFIPXVFZSA-N 409.465 1.937 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300622446 ZFCOMDCPXWWDRB-KRWDZBQOSA-N 415.519 1.282 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nncn1C 1300664125 MYCSWTZCZDZOGJ-UHFFFAOYSA-N 404.478 1.700 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCSCC)CC1 1300684798 ACUPSORJIZTFMO-HXUWFJFHSA-N 407.584 1.829 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1300696355 ZHWMYCJEAHNCBI-UHFFFAOYSA-N 414.535 1.063 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300751711 OUEJNTLYYRBMLM-SFHVURJKSA-N 413.547 1.961 30 10 HDEE COCCOC1(Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1302124446 SPPQQFTUSOQGGN-INIZCTEOSA-N 415.498 1.543 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3ccccc3F)CCOCC2)cc1 1302374614 PWPPQLHKWCRZMA-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCCO1 1303627997 RLSIASYNLJXGMF-IRXDYDNUSA-N 404.515 1.838 30 10 HDEE C#CC1(O)CN(C(=O)c2nnn(-c3ccc(Br)cc3)c2C(F)(F)F)C1 1304597048 ZMWFTOQSQZUSNI-UHFFFAOYSA-N 415.169 1.869 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1304753767 GYSPFSYPBYAHBW-YJBOKZPZSA-N 421.502 1.016 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1 1312036469 OUUFAXOTUMFOKB-LJQANCHMSA-N 405.520 1.633 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)NCc3nc(C#N)cs3)C2)CC1 1313349949 CWEFIKKTFPRHAJ-OAHLLOKOSA-N 420.539 1.851 30 10 HDEE CNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1315047314 ZIQQWJSDFIINRM-UHFFFAOYSA-N 421.461 1.650 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1315964218 PMSDRZIDGCZOIJ-YADHBBJMSA-N 424.505 1.463 30 10 HDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1316385821 CYJDVCDTZBVGOR-CQSZACIVSA-N 400.508 1.759 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)c1ccc(N2CCOC2=O)cc1 1330154144 BUJPUPWBBWUJCM-HNENSFHCSA-N 413.386 1.286 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC2=O)cn1 1355540393 KSDFEWBKTISCMG-GJZGRUSLSA-N 416.482 1.135 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358926527 RXBPCNVRHYKTCY-INIZCTEOSA-N 404.540 1.463 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1358933776 FGFNGRYLYQUACZ-AWEZNQCLSA-N 400.508 1.385 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1358967843 UHAGBQOAABADCO-SCTDSRPQSA-N 422.551 1.423 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cccs1 1359027112 WGUCVXYICNJQJD-HXUWFJFHSA-N 417.535 1.456 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1359063826 FGNVCBKRCBQISC-OXQOHEQNSA-N 422.599 1.755 30 10 HDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1359210297 OSDJYOFRDGVUDG-UHFFFAOYSA-N 405.524 1.998 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H](C)C2)C1 1359324871 TZFPAOUYVUYRGT-OALUTQOASA-N 416.570 1.914 30 10 HDEE CS(=O)(=O)CCCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1435961852 GATWSGALQOIOBJ-MRXNPFEDSA-N 420.491 1.094 30 10 HDEE CC(C)Oc1cc(C(N)=O)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1436921032 DXBAAJQHVLTXMQ-UHFFFAOYSA-N 416.459 1.250 30 10 HDEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1437769560 JWXWJZKJUHPANK-UHFFFAOYSA-N 424.519 1.567 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1 1438601088 IYTOANNIXYTOBZ-KRWDZBQOSA-N 401.463 1.609 30 10 HDEE CCOC(=O)N1[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC[C@@H]1c1ccc(C)o1 1445692551 SDJVWZZSHJJGAH-HZPDHXFCSA-N 402.451 1.835 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCOc1cccc(F)c1 1456897169 CGCUDFNCOCHRSL-UHFFFAOYSA-N 405.451 1.840 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1468503857 ISXMOIDVZCWTJU-QGZVFWFLSA-N 406.914 1.716 30 10 HDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@](O)(CC#N)C1 1469406352 SVEYYZSDAORQNJ-MAUKXSAKSA-N 406.464 1.323 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1469545395 MBDQAWUHGZESTB-HXUWFJFHSA-N 422.510 1.821 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@@](CO)(C(F)(F)F)C2)C1 1469727754 BQUNYMZPNNMQJX-HWWQOWPSSA-N 406.405 1.702 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 1469756094 JUQSSFCIGUNSSA-SJLPKXTDSA-N 413.503 1.535 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)C1 1472246708 PFKVOYBSXKXOAR-UHFFFAOYSA-N 402.516 1.173 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@](C)(C(=O)OC(C)(C)C)C3)CC2)o1 1473528793 GAYCXICGMGZYIS-OAQYLSRUSA-N 417.510 1.557 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](O)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1475783777 AMHGGLWSRFXQQN-AWEZNQCLSA-N 413.297 1.683 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1 1479312038 DLNHCLBZWJUWMA-SFHVURJKSA-N 414.506 1.269 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507604310 JEYLUSCQTSFECB-OAQYLSRUSA-N 412.494 1.790 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1507667148 LLCWEDJOFHUQMH-MRXNPFEDSA-N 401.536 1.604 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507943187 XBROBFFVJFDLQF-CVEARBPZSA-N 402.499 1.692 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C 1507998792 DYCXXKGVLXSJCF-QGZVFWFLSA-N 407.478 1.382 30 10 HDEE CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509014505 OTMALFGZZZIVTP-ZZEZOPTASA-N 413.526 1.460 30 10 HDEE C[C@H](Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510107965 JBSQCTVVDLBVMP-OAHLLOKOSA-N 418.505 1.749 30 10 HDEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)C[C@H]1c1cnn(C)c1 1515185846 QUQZOPCXQSTTHL-MVBLQPKNSA-N 400.523 1.860 30 10 HDEE COCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1519079813 DFDBUCTUMOPWJI-GHTZIAJQSA-N 418.542 1.532 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)CC1 1533085048 IFADHZWPFOIXOO-HNNXBMFYSA-N 409.533 1.408 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)c(OC)c1 1538582395 CNHBUVVOOZTOMC-OAHLLOKOSA-N 414.458 1.921 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1539012337 FSJWZQMTRWNTHN-HUUCEWRRSA-N 412.581 1.550 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1539015370 PLKVVYQJKYPTIF-UKRRQHHQSA-N 406.483 1.834 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539202137 GHCDWDSCYSKWOX-CQSZACIVSA-N 408.553 1.431 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1539340073 DLPWBIUHGPRMAI-UHFFFAOYSA-N 410.526 1.534 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1539362358 YFTBEEMPGJPMQS-UHFFFAOYSA-N 421.461 1.867 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2OCCC2(C)C)CC1 1539430791 OEOMHSIRJDEKDO-QZTJIDSGSA-N 405.543 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](COC)C1 1540904216 JZENUQNEFYPWLY-SFHVURJKSA-N 419.551 1.728 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)F 1541800735 GGOLKPRFSRBNTO-LLVKDONJSA-N 406.393 1.793 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1544568842 NXVUTXLMPYWIPO-CABCVRRESA-N 401.529 1.223 30 10 HDEE COC[C@@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1555239871 AAMURKGGGUJGNA-KBPBESRZSA-N 404.496 1.281 30 10 HDEE C[S@](=O)C1(C(=O)NCC#C[C@@H]2CCCCO2)CCN(C(=O)OC(C)(C)C)CC1 1558750593 HMMRHZSXZACOSL-OLRZCDJHSA-N 412.552 1.823 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1569721357 FXASMBXUGXZFES-ZNMIVQPWSA-N 400.504 1.446 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)C(=O)OC 1570221689 SHXVDGNLBLUXAA-OAHLLOKOSA-N 400.884 1.664 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](c3ccccc3)C2)s1 1570353631 VCHWVCDCYYCTOF-KRWDZBQOSA-N 405.545 1.928 30 10 HDEE CS(=O)(=O)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1583112220 UGRVXLAXVRWTBI-UHFFFAOYSA-N 400.298 1.308 30 10 HDEE N#C[C@]1(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CCSC1 1584461119 SDOHBFOVVDWSBA-GFCCVEGCSA-N 424.729 1.879 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCOC3=O)C2)C1 1584792518 KMZFVGLZAKJGMG-RDYUPDBUSA-N 406.483 1.732 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 1586080024 BMTGNZNWWSVDKA-NRFANRHFSA-N 407.430 1.713 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)C(=O)OCC 1587286316 YVNHCYQOCOEAQI-HNNXBMFYSA-N 402.900 1.718 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)NC)cc1)C(=O)OCC 1587286317 YVNHCYQOCOEAQI-OAHLLOKOSA-N 402.900 1.718 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCNS(C)(=O)=O 1587580976 UBNOPLBBJCCDAZ-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1587626796 OVOYRFFKHKXNIU-SOUVJXGZSA-N 404.515 1.943 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1587804207 VAQHLUNVOLJCLX-SFHVURJKSA-N 412.542 1.955 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588035647 WMJLATSMSPDVGA-OALUTQOASA-N 402.520 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(OC)CCOC1 1588113279 JJCKRQJXOKQZSN-JOCHJYFZSA-N 410.474 1.841 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1589036733 NUKFKOUEVAZUBW-UHFFFAOYSA-N 419.576 1.783 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)COC)CC1 1589568296 IVQUSLNMJFUCMB-UZLBHIALSA-N 421.542 1.527 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@@H]2C1 1593763884 SFJKFIMJJJNDEQ-GOSISDBHSA-N 402.543 1.668 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)CC1 1594097137 MOXBLYJSHAUNPZ-INIZCTEOSA-N 409.556 1.958 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1595720731 BBRHRDYGHLIXNQ-HOTGVXAUSA-N 410.540 1.531 30 10 HDEE CC(C)OCCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1611109143 KLCHXYOOJAVUHD-UHFFFAOYSA-N 422.493 1.795 30 10 HDEE CCc1nnc(N2CCC(OC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613981493 PZSNXWUQCARNPO-HNENSFHCSA-N 402.499 1.761 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)NCCN/C(O)=C2\N=CC=CC2=O)o1 1616348127 VAMJEPZONJBJNI-UUPYSRSKSA-N 401.419 1.891 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(NCc4nccn4C)cc3)CC2)c1C#N 1616430141 CHQMZTWOOAIERL-UHFFFAOYSA-N 418.505 1.908 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N1CC[C@](F)(C#N)C1 1617572493 FFAYGECEZDEYAD-JXFKEZNVSA-N 403.506 1.540 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(Cl)ccc2s1 1621673523 RQAMHUQAAUNLCD-SNVBAGLBSA-N 404.922 1.761 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cccc(I)c2)cn1 1622335228 WVHLKPDPJXFELF-UHFFFAOYSA-N 401.229 1.599 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1622394281 KYBHTWOGEQEMKF-UHFFFAOYSA-N 417.285 1.161 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1623029060 FMGQMQQPHMPYQY-UHFFFAOYSA-N 405.365 1.719 30 10 HDEE C=C(CO)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1623590260 AGSAGQWMFSAWGA-UHFFFAOYSA-N 409.327 1.282 30 10 HDEE C#CCN(CC(=O)N1CCC(NS(=O)(=O)CCC)CC1)C(=O)OC(C)(C)C 1625443376 RAEJNTXULBJUTL-UHFFFAOYSA-N 401.529 1.177 30 10 HDEE C=CCOC[C@@H](NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1626208531 PCIAHQQAIFYSQC-KUHUBIRLSA-N 411.455 1.003 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nc(C)no3)CC2)s1 1626402581 VCGVZUMSLQLSMD-UHFFFAOYSA-N 410.521 1.853 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3CC[C@H]2C3)cc1[N+](=O)[O-] 1627891367 INGDVOSJVDSVIU-HNNXBMFYSA-N 410.434 1.911 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1628086081 JHJXJDUVHRRCPS-INIZCTEOSA-N 401.463 1.393 30 10 HDEE CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1632880504 RIDMMZAOSKQIOQ-FBMGVBCBSA-N 404.467 1.586 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nncn2C2CC2)C1 1632998102 SRKIBYONKVBFFS-UHFFFAOYSA-N 401.268 2.000 30 10 HDEE Cc1cc(NCCNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n2ncnc2n1 1634906505 VSWGKLLNCWTUAE-UHFFFAOYSA-N 422.468 1.888 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1636838536 CTDARHNMEKTTCO-CABCVRRESA-N 416.503 1.091 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 1637077438 WPSFVTHNFGNHOS-NVXWUHKLSA-N 402.451 1.232 30 10 HDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1(CNC(=O)OC(C)(C)C)CCC1 1637201886 BHLKPAJFKSBWRK-WUKNDPDISA-N 406.483 1.809 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCN(O)C1=O 1637464799 JVUKMPINBADRFJ-SNVBAGLBSA-N 405.148 1.228 30 10 HDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1637744335 QZWJUJKDJSBTHV-CYBMUJFWSA-N 420.409 1.096 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(O)(C1CC1)C1CC1 1641438061 HWDQFOLPHRGRSX-KRWDZBQOSA-N 419.547 1.951 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1643281687 XSWKUCOFCAAYDS-IBGZPJMESA-N 408.458 1.907 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1643324169 WLGDMZNTKPMBGK-XCLFUZPHSA-N 403.483 1.467 30 10 HDEE C[C@](O)(CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1F 1648416346 YGIUUHFNAXVNFL-UVBJJODRSA-N 417.300 1.666 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCC#C[C@@H]2CCCCO2)nn1 1648586260 HLYNOCGZWRUGQF-INIZCTEOSA-N 405.499 1.885 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)s1 1652928841 MCBHTNYBFWGOCI-LSDHHAIUSA-N 414.549 1.409 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1655176067 ZLLNZLPTKPGJRB-INIZCTEOSA-N 422.507 1.326 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1656234849 WTEWQLHANWYADF-HNNXBMFYSA-N 400.522 1.178 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)C(C)(C)C)cc2)CC1 1659569331 GELLYVVLZTZFTL-UHFFFAOYSA-N 406.508 1.533 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@H](O)[C@H](F)C1)CCCC2 1660563172 QEMVHJFNLWNDCO-POZUXBRTSA-N 404.486 1.761 30 10 HDEE CN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)c1 1665020178 FLTKBFQQYVDCGV-UHFFFAOYSA-N 404.517 1.832 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC 1666339440 BXKJUOAJLROXPK-UHFFFAOYSA-N 414.505 1.039 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 1676030894 LJXLJGWICXQZRU-IBGZPJMESA-N 402.926 1.834 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)NCc1ccc(OCC#N)cc1)C1CCCC1 1678175000 FENNDQJCTWCFKR-GOSISDBHSA-N 423.539 1.343 30 10 HDEE C=CCN1CCC(NC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CC1 1678390676 KJPRWYRJQBRZEO-CZUORRHYSA-N 409.474 1.788 30 10 HDEE C#CCC1(NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1682059466 HTMHEELTPVSOHZ-UHFFFAOYSA-N 408.543 1.801 30 10 HDEE CON(C)C(=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682122712 RSEJNVNHBUKSMA-RNFRBKRXSA-N 413.265 1.819 30 10 HDEE C#C[C@H](CC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1683074538 TXKZISXMSXURPQ-ZIAGYGMSSA-N 411.243 1.886 30 10 HDEE N#C[C@@H]1CN(C(=O)NCC[S@@](=O)CC(F)(F)F)CCN1Cc1ccccc1 1683793894 ZPCUYDACTRNSJE-YVORESIASA-N 402.442 1.717 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1686083703 DESWJNXFMZWBPR-ROUUACIJSA-N 412.494 1.547 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689883902 BNYYEFPREPSDFF-UHFFFAOYSA-N 409.494 1.608 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689996559 JVRLQVZZWRGLNY-GOSISDBHSA-N 423.583 1.317 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1689999978 OKAIBQPMXBFMGF-CYBMUJFWSA-N 406.899 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1690025358 NXKRWNNHLIVVOF-FQEVSTJZSA-N 413.503 1.148 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nnn(C)n1 1690032453 BQCDNDRCDTYVLA-OAHLLOKOSA-N 408.441 1.592 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC2CCOCC2)CC1 1690124322 IXTRCNSXKILIDB-FQEVSTJZSA-N 417.554 1.371 30 10 HDEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1690976572 XYRDZZLWZSRSDB-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)N(C)C 1692699085 QFFKCKWXGYXGBP-WDYCEAGBSA-N 407.522 1.729 30 10 HDEE CN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1696640110 OBJKCIVHRLNVCQ-KRGDBVFUSA-N 418.523 1.250 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1705553572 SDYDPHWFMZQOLA-FXAWDEMLSA-N 405.568 1.797 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C(C)C)C(C)C 1705668575 PGYMQGYIHKCLNW-FXAWDEMLSA-N 424.615 1.999 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnccn1 1705704914 AMQNFUXXQIPBHG-OXQOHEQNSA-N 411.510 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccs1 1705902347 CIYHKDMPLXKWEF-AWEZNQCLSA-N 423.564 1.223 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(C)=O)CC2)cc1 1705911276 DHSKXDSVCKTEJH-LJQANCHMSA-N 424.505 1.511 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[C@@H]1COCCO1 1709137445 VCRITSKFNONMRH-MRXNPFEDSA-N 414.485 1.983 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)CC1 1712885798 YKOBJRSMGBVRSP-ROUUACIJSA-N 416.526 1.802 30 10 HDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCNS(C)(=O)=O 1722346911 UPHGSKZLGFZWRK-CYBMUJFWSA-N 407.565 1.750 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCO2 1722401146 NBQAQQKSVLIYPG-UHFFFAOYSA-N 419.485 1.683 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)CCC)CC1 1722446359 TXNFBUXZKHHIIX-QFIPXVFZSA-N 410.522 1.857 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1O 1722450604 AGJSHQVYBGLZFY-CQSZACIVSA-N 423.564 1.597 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1722457652 IUQDSXYMIHJREQ-UHFFFAOYSA-N 424.534 1.720 30 10 HDEE C=CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722622215 HSGLZQRWAJTVIK-QFBILLFUSA-N 412.556 1.910 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N(C)C)C1 1722710783 OJGVVSRVSFGDSG-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722726786 FJULMXQXQYDSSO-JKSUJKDBSA-N 420.539 1.142 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722733576 YPPNPLDQZUATNO-UHFFFAOYSA-N 424.549 1.944 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1729160616 BSRYXWSSICJKCB-DLBZAZTESA-N 413.434 1.879 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1731188561 HWGJLKQMLISUHH-RDJZCZTQSA-N 401.492 1.499 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1740545544 AVMNYVUFIAIDSA-HUUCEWRRSA-N 418.523 1.112 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740553125 UGCWAPJJBSWBDH-IWKHNONTSA-N 422.464 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740553897 NDJQXSRINMAZDU-OTWHNJEPSA-N 416.570 1.920 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740576001 XISWXQVPNHCFNN-QGZVFWFLSA-N 411.510 1.711 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625019 CKWBNLIEDHZUKK-KRWDZBQOSA-N 407.584 1.732 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1740625575 GSTUTHQCGIDSMY-ZJPYXAASSA-N 424.542 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(N)=O)c1 1740644755 SLNWHGBCSMNNLY-UHFFFAOYSA-N 406.490 1.221 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(OC)CCOC1 1740660985 LPIKJSQDBSILBK-WFXMLNOXSA-N 402.495 1.271 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1740672078 WHYGALYYBPCQNJ-WMZOPIPTSA-N 405.568 1.657 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)c2ccccc2)CC1 1740688946 MDFFQELMVUIHHR-UHFFFAOYSA-N 423.565 1.698 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cnn(CC)c1 1740990779 ZMPHRZPAMQGGLR-UHFFFAOYSA-N 416.511 1.189 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1741005156 SYIGKDZCURILAT-UZLBHIALSA-N 421.567 1.660 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1747371879 YNJAZVHGNGGMSH-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1748671840 NFVLOCOTUNGPQM-YOEHRIQHSA-N 415.519 1.046 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1748790538 IXIUAXHHGPIXLU-ZDUSSCGKSA-N 407.462 1.134 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1748987306 SRSFKIJEEBSDRN-LJQANCHMSA-N 418.549 1.959 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749022073 DQUDNKNIIFJSJR-KRWDZBQOSA-N 420.583 1.732 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)CC1 1749323600 HXUXDENQBAPEPJ-UHFFFAOYSA-N 416.570 1.763 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H]2C)CC1 1749329885 UXBWCUMTPTZORK-HOTGVXAUSA-N 410.588 1.775 30 10 HDEE COC[C@@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1749351063 NKRKDUDTVZLFHJ-BBRMVZONSA-N 424.502 1.381 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)COC1 1749597818 NDPWSSMAXFNMCD-UHFFFAOYSA-N 424.505 1.867 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1749669196 DBUKUJMYWJRSLW-CYBMUJFWSA-N 424.456 1.315 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](COCC)C1 1749677864 MVEILSUGJQQKBJ-SFHVURJKSA-N 415.542 1.695 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1749736682 NBQOSGMBWTYHBD-WMZOPIPTSA-N 419.551 1.868 30 10 HDEE Cc1c(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cnn1C 1751375306 JDLUGPLTGMILES-PMACEKPBSA-N 417.489 1.851 30 10 HDEE Cc1nccn1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1751813561 REPWRAVUPRJYFJ-YLJYHZDGSA-N 415.498 1.253 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1760182586 KWKIZSFVJOSXFM-OAHLLOKOSA-N 423.564 1.679 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760263351 YEDFZYQVHSZYCH-KDURUIRLSA-N 400.571 1.485 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1760316037 LMRVDIHCLRGRDG-JONQDZQNSA-N 410.544 1.465 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1760450684 PPBRFYKXFNPJEY-APWZRJJASA-N 412.556 1.778 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1760491861 WYRSAIWVFQSIKB-NRFANRHFSA-N 419.493 1.578 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760525338 BPQCWEBEJDBZOK-KRWDZBQOSA-N 420.521 1.684 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1760527648 DITYENXZHQSGQW-UHFFFAOYSA-N 413.404 1.352 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 1760542765 JYWNMYUJDHBZCR-OKZBNKHCSA-N 417.533 1.968 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C)cs2)C1 1760549698 KPSBCHQJKDQFGT-OAHLLOKOSA-N 402.524 1.995 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1761286256 SDJOOIJFJMWPEG-WOJBJXKFSA-N 414.514 1.626 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1767828726 ZGBSOALWVFNVGL-UHFFFAOYSA-N 419.436 1.560 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)[C@H]1CCN(C)C1=O 1849198133 QLPILZRPMQOSBR-JKSUJKDBSA-N 409.483 1.224 30 10 HDEE Cc1cc(C)c(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c(C)c1 1849778809 KLLZVPPZTHWOJV-QGZVFWFLSA-N 418.501 1.974 30 10 HDEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(C)no2)cn1)[C@H]1CCN(C)C1=O 1850379230 AIOOUQLSMRLOKV-INIZCTEOSA-N 407.434 1.485 30 10 HDEE N#CCc1ccc(C(=O)OC[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)nc1 1851772815 CXICVXOZQJINLF-IBGZPJMESA-N 413.499 1.646 30 10 HDEE N#CC1CCN(C(=O)C2CCN(CCNC(=O)NCCc3ccccn3)CC2)CC1 1852373140 ITQLBJNPJZNOLL-UHFFFAOYSA-N 412.538 1.397 30 10 HDEE Cc1nc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1852374814 ZELVIOCWALOLFX-UHFFFAOYSA-N 401.286 1.050 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853610998 LRJSHUULOIFYJT-SJORKVTESA-N 406.527 1.317 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853884833 VPIBTWNLSIVDGB-OALUTQOASA-N 415.515 1.446 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cscn4)C(=O)C3)C2)c(F)c1 1854196613 UCEHAHFUZVBQSQ-INIZCTEOSA-N 413.478 1.713 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638170 IIKBLQXESRKBLZ-ZWNOBZJWSA-N 421.372 1.597 30 10 HDEE COc1cccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1OC 1854955966 HQIHMLUPZPFTDL-IRXDYDNUSA-N 414.506 1.755 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)C1 1855022716 GYFHBWXDXISIDU-YOEHRIQHSA-N 416.453 1.735 30 10 HDEE COCCOc1cncc(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c1 1855075604 OZHZIHCLSFYYHZ-IEBWSBKVSA-N 412.490 1.864 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)cc1 1855109891 ZNPWJGWNVPISAZ-QGZVFWFLSA-N 403.460 1.723 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2nccnc2N2CCOCC2)C1 1855424289 NVWKWYFHYUETHA-ZWKOTPCHSA-N 413.522 1.733 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1=O 1855552271 BXSHCKINYLWOHF-CYBMUJFWSA-N 411.430 1.654 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1C[C@@H]1c1ccccn1 1855961973 YXOFTOPIYATHIU-IRXDYDNUSA-N 424.482 1.835 30 10 HDEE C[C@@H](CC(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1cccn1 1856410943 TYAXOTROSZSOGC-HOTGVXAUSA-N 408.462 1.239 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)c3ccc(N4CCCCC4)nn3)C1=O)CC2 1856556965 QHDVQESCRTXQJP-AEFFLSMTSA-N 408.506 1.834 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cn2ccnc2C2CC2)C1)[C@H]1CCN(C)C1=O 1857053545 QTIGGZPREMHTGL-AEFFLSMTSA-N 413.522 1.244 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cccc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857068976 SHLOQMMCWXAOBL-ICSRJNTNSA-N 413.518 1.722 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c(C)c1 1857150480 PQLXJRMDJASKID-LJQANCHMSA-N 404.474 1.527 30 10 HDEE Cc1cc(C)n(CCC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c(=O)n1 1857198524 LBLJHSGRPWWEII-MSOLQXFVSA-N 411.506 1.251 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cnc(-c4ccccc4F)o3)C2)CC1=O 1857306355 RAWHDGDIKGTNLI-HNNXBMFYSA-N 411.437 1.639 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1857321503 XNRMKCKEIVEBRF-QZTJIDSGSA-N 414.506 1.796 30 10 HDEE C=CCCC(=O)N1CC[C@H](N2CCN(Cc3cc(OC)ccc3OC)CC2)C1=O 1857439358 KSSYXVYKIOQLNL-IBGZPJMESA-N 401.507 1.915 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1=O 1857489253 CRGBETLLXBCNGG-GOSISDBHSA-N 407.536 1.966 30 10 HDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)C(F)(F)F)cc1 1870136649 CQXJIJNDXVBROD-UHFFFAOYSA-N 423.399 1.711 30 10 HDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622685 ZKEUOWCMTCXCGJ-UHFFFAOYSA-N 410.526 1.466 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CCOC 1873590182 JBBQPKDJHQZZPA-UHFFFAOYSA-N 422.493 1.110 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3cc(C)ccc3nc21 1875236396 AHCZKRRYDAVZTE-UHFFFAOYSA-N 407.474 1.886 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(C#N)cc4F)C3)n2)n1 1889736139 GMPFQJZUKWJFJO-UHFFFAOYSA-N 406.421 1.829 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)CCCNC(=O)c2cccnc2)CC1 1891479871 JPFDWCVEDOICMS-UHFFFAOYSA-N 408.462 1.571 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 1901479297 BIASTQZWWCHCHC-ZIAGYGMSSA-N 401.504 1.848 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1965775449 IAFZGYMUTDXIGK-GOSISDBHSA-N 401.529 1.968 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2060558603 CJTHVGASZISJCH-NSHDSACASA-N 414.304 1.983 30 10 HDEE C#CCNC(=O)[C@@H](C)[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074680442 KYLPITKUDKYJGI-JRJBARMQSA-N 408.476 1.031 30 10 HDEE C=CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074692930 UIYOIXPKOFVGCX-SNARRRGMSA-N 410.492 1.584 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2141609842 FSXLEAVACDNCOB-MRXNPFEDSA-N 418.515 1.753 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CS)C(=O)O)[C@H]2CCCO[C@H]2C1(C)C 2180248513 RHELZUDYPRJCMV-NEDIDLKZSA-N 402.513 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2csc(NS(=O)(=O)N3CC[C@@H](C#N)C3)n2)C1 2201913636 SZCBIMVWWOPEDO-NSHDSACASA-N 413.525 1.980 30 10 HDEE Cc1csc(CNC(=O)N[C@@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2203126171 MRGSXVOGGDMGJC-LLVKDONJSA-N 402.347 1.546 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221688304 LWWAJGDLVMOCMX-ZFWWWQNUSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243403600 ZWDUQYXBHPKYNL-QWHCGFSZSA-N 406.292 1.494 30 10 HDEE Cn1ncc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247782691 WZMWFMDMPFPZPQ-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cc1c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825356 CGMCNSMXZFPUFQ-OLZOCXBDSA-N 420.319 1.423 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258178792 CVPDCTWFACMLNB-IRXDYDNUSA-N 410.492 1.422 30 10 HDEE CN(CCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2282193820 RAWULUWLLPVTMY-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE Cc1nc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)no1 2282310730 YAKWZWHYYOQLMG-UHFFFAOYSA-N 419.721 1.871 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282315694 RENAJWQASXSURC-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCSC1 2282329693 QBADLUCSIONMHJ-GFCCVEGCSA-N 401.363 1.141 30 10 HDEE C[C@H]1CC[C@](CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335013 JKPNHYSBURMUFS-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)C[C@@H]1O 2282335631 RZGZNPXOLJLKKF-BZPMIXESSA-N 401.359 1.827 30 10 HDEE C[C@@H]1CN[C@H](C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338318 QJZOERDTPYFYAW-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)C1CCC1 2282426235 ZVCOAJREJFTQGS-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE COC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494706 BDUFWRINVGTTEK-XHDPSFHLSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@@H](O)C2)OC1(C)C 2282500189 WEULXEMXOPHNMC-CQSZACIVSA-N 401.359 1.724 30 10 HDEE CS[C@@H]1CCN(S(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282501418 WXCBEURTTKPLMG-GFCCVEGCSA-N 401.363 1.154 30 10 HDEE CSCC[C@@H](C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282509257 IPASWZITFHGYGI-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CC(S(C)(=O)=O)C1 2282629542 XAZIFIIIZGQLOL-UHFFFAOYSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(O)CCCC2)OC1(C)C 2282831359 JEADRCGLVACKTF-UHFFFAOYSA-N 402.347 1.167 30 10 HDEE CCN1CC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853436 CWGCFYHADDEJEO-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE C[C@H](CN1CCCC1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856123 NZKQYXHTHUGARG-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(CCO)C2)c1B1OC(C)(C)C(C)(C)O1 2282872562 YKATUWQLRGVHGW-UHFFFAOYSA-N 401.359 1.667 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284395095 HPEKMEKAHNVWNJ-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CCC[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284410181 SECVRLPSLZXYJF-LBPRGKRZSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CC(P(C)(C)=O)C3)c2)OC1(C)C 2286178980 HCFGFKRYVMLJOJ-UHFFFAOYSA-N 400.246 1.376 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@H]2COC[C@H]2S(C)(=O)=O)OC1(C)C 2364908114 RJHDICDVBWVITF-QWHCGFSZSA-N 402.709 1.258 30 10 HDEE COCC[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367786104 GRRBETRWKHUGLN-BEFAXECRSA-N 400.541 1.701 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2367786704 ISDFDINSEKBJLT-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2367825885 TTXONAAGIKOWBQ-LIRRHRJNSA-N 400.541 1.163 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C(\C)c2ccncc2)n1N 21324342 CAASTUUTCZIRDC-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 22613083 POTLCCHISQYJAI-ZDUSSCGKSA-N 419.434 1.396 30 10 HDEE CC(C)Cn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2n2c(=O)n(CC#N)nc12 45943543 XWAPRFJDXOBHDG-UHFFFAOYSA-N 408.462 1.663 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 56099466 RNWDEQXAVVIFJA-INIZCTEOSA-N 401.492 1.340 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 102754073 BMEDSSZKFPFCGQ-HMNTXPNISA-N 416.503 1.842 30 10 HDEE CCn1cc(C(=O)N2CC[C@H](Oc3nccnc3C#N)C2)c(=O)c2ccc(C)nc21 219947037 YZNXGMOWTITGOO-AWEZNQCLSA-N 404.430 1.680 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc3c(c2)CCO3)CC1 238849657 JDYMDZXEIIBJLB-SHTZXODSSA-N 400.460 1.952 30 10 HDEE C#CCn1ncc(NCCn2cc(Br)cn2)c(Br)c1=O 380235451 MNBIATSPAVRBEX-UHFFFAOYSA-N 401.062 1.710 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 430417905 XTMZYLOOJVOIHF-FPOVZHCZSA-N 413.518 1.306 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)cs1 440981205 HMPACZFVRYEXDC-UHFFFAOYSA-N 411.553 1.797 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(C)c(C(=O)OCC)s2)CC1 465370960 IPHRATRFQDNDFU-CQSZACIVSA-N 423.539 1.319 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1 466103885 DLHGRWHIQABNAN-UHFFFAOYSA-N 413.522 1.667 30 10 HDEE C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)NCCOc1ccc(C#N)cc1 466107763 NVRWFCOUJZSPIF-CQSZACIVSA-N 402.476 1.987 30 10 HDEE CCn1nccc1S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 472668316 SETBMIBKCHAGBL-UHFFFAOYSA-N 402.436 1.534 30 10 HDEE N#CC1(NC(=O)CSCC(=O)N2CCOCC2)CCN(Cc2ccccc2)CC1 482555648 PYCOMPARZBYUPY-UHFFFAOYSA-N 416.547 1.253 30 10 HDEE CCC[C@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 502530711 OETZANREVXXPLT-AEFFLSMTSA-N 405.520 1.986 30 10 HDEE CCN(CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 510780827 SCIKJPUSOSZXTN-HNNXBMFYSA-N 417.528 1.217 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCOCC3(CC3)C2)CC1 543914253 XAFCMIBLJKLKHT-UHFFFAOYSA-N 411.462 1.567 30 10 HDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCCc1ccccc1F 585673616 LAANQLIJNXIZSL-BCBJWTNWSA-N 410.405 1.558 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)cc1S(=O)(=O)NCC#N 609528343 YKYVYXXUHXLTBE-SFHVURJKSA-N 420.535 1.124 30 10 HDEE CN(C(=O)c1ccc(C#N)nc1)c1nc(CNC(=O)c2ccc(C#N)nc2)cs1 609662426 HFQBYSIZGFJRLY-UHFFFAOYSA-N 403.427 1.883 30 10 HDEE Cn1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(-c2ccccn2)n1 610775114 VLMFDOFPUOFPBQ-UHFFFAOYSA-N 410.459 1.926 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 730144117 XRSRDLDTMLJHEA-IRXDYDNUSA-N 404.536 1.865 30 10 HDEE C[S@](=O)Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl 734693488 NIFPVBDVGVOGJB-QZXCRCNTSA-N 408.911 1.356 30 10 HDEE C#CCCNC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 746261058 RHYYSVJBHCDXTB-UHFFFAOYSA-N 419.272 1.362 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 746781288 RRLBXMZOZFWSPS-UKRRQHHQSA-N 417.491 1.022 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=Cc2ccc(N3CCOCC3)cc2)C1 749779198 QELJDMCCTSBQAS-NRFANRHFSA-N 418.538 1.347 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 759621636 NGCOLULKQYYLMN-IBGZPJMESA-N 419.547 1.315 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 765708266 MSKZDOIRAMHWDM-XHDPSFHLSA-N 419.425 1.277 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cncs2)c1=O 767879149 DHAPJOIUFPQPEV-UHFFFAOYSA-N 424.551 1.939 30 10 HDEE C#CCN(C(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774028496 KDWRLYJMFDHONU-LJQANCHMSA-N 405.520 1.216 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@@H]1CCS(=O)(=O)C1 774162457 LBJMBDUCGDHKMI-GOSISDBHSA-N 404.536 1.650 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N(C)Cc1ccccc1)C2=O 787071668 DRQHZVCSWOBLTD-WIVVBHTDSA-N 410.474 1.855 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 788599600 GEKBCMJVYRDNHK-GFCCVEGCSA-N 417.306 1.132 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)n1 788815768 XIHZYYOEYMCJIW-UHFFFAOYSA-N 418.519 1.492 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3cccc(C)c3)CC2)n1 789326302 RXMOZVRSLVYKJT-UHFFFAOYSA-N 423.561 1.618 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)n1 790106018 MNTRCWRGPSPSLB-QGZVFWFLSA-N 413.400 1.065 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790290491 NVVVXTQWYOVAKD-DNVCBOLYSA-N 415.556 1.872 30 10 HDEE CC(=NNc1cc(Cl)nc(N)n1)c1ccc(Br)c(S(N)(=O)=O)c1 797403487 OBNKPGQHRGEWGY-UHFFFAOYSA-N 419.692 1.958 30 10 HDEE CS(=O)(=O)N1CC[C@@H](COC(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 801261074 LWQYBWRFBUMGAH-MRXNPFEDSA-N 407.492 1.538 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@H](C(F)F)C2)c1 801618806 ZVRROVWBBOCYCP-OOJJEUIESA-N 416.450 1.997 30 10 HDEE CCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 801669013 UGYZJKWJUFQFSE-JJTVEENBSA-N 407.496 1.242 30 10 HDEE C#Cc1cc(F)c(NC(=O)C(=O)N2CCC(COC)(C(=O)OCC)CC2)c(F)c1 802578341 QBQQNTXKCPJGJM-UHFFFAOYSA-N 408.401 1.703 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2=O)n(C)n1 805588144 PODNKHRBIDMNOK-MAUKXSAKSA-N 411.437 1.914 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 809886466 ZWRHESXLCRMRAU-HUUCEWRRSA-N 421.498 1.772 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccccc1S(C)(=O)=O 810942254 BDJMQTWMDNSWKC-ZDUSSCGKSA-N 422.484 1.372 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNCc2nccn2S(=O)(=O)N(C)C)ccc1OC 811479534 HDFKSRFBJFIARB-HNNXBMFYSA-N 407.496 1.517 30 10 HDEE COCc1cnc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)s1 814746392 WOYYOFQLDJWABR-UHFFFAOYSA-N 410.525 1.067 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1-c1cccc(Cl)c1 814751009 DNPOMPYFEKRKAU-UHFFFAOYSA-N 411.900 1.620 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 1117626135 KJEXXEBGICFWGR-JAXLGGSGSA-N 401.530 1.853 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)C1 1118924685 SMEIPNGMQOHKFE-XHPSBEMXSA-N 411.476 1.856 30 10 HDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1134709046 WHFQDCVRQRBRQM-UHFFFAOYSA-N 400.456 1.950 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1141594004 QOSSWJQWYHTDAT-FPOVZHCZSA-N 412.511 1.611 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(F)(F)c2ccccc2C#N)CC1 1142002808 ZMWSUZDSURBTDM-UHFFFAOYSA-N 422.432 1.846 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143652720 PRRKQWLUAXEKPI-WBVHZDCISA-N 406.504 1.100 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1)c1cc[nH]n1 1148489113 BJNAXPYQOPASJL-GHMZBOCLSA-N 406.361 1.262 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2nn[nH]n2)ccc1F 1149500377 LJYZZNMXXIEXKW-INIZCTEOSA-N 416.438 1.323 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1150300309 FVAGCIGEZPRQJS-UHFFFAOYSA-N 410.478 1.374 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)C1 1153859134 MSKBIHBMXWPGRN-LRDNONRASA-N 409.483 1.753 30 10 HDEE CN(Cc1ncc(Br)cn1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1154918365 FVEYKUTWDDNLEG-UHFFFAOYSA-N 423.292 1.684 30 10 HDEE C=CCCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)OC 1155466981 OQGDYWYTBNWCPP-ZDUSSCGKSA-N 416.521 1.397 30 10 HDEE CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1158622970 STHYBYBYPQXJSY-OAHLLOKOSA-N 408.480 1.181 30 10 HDEE COC(=O)[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[C@H]1CCOC1 1159772545 OSSQGUCNJZAEFN-AAEUAGOBSA-N 411.252 1.641 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccc(Br)cc2)C1 1179982626 PBPYBZPFQQPYEB-HNNXBMFYSA-N 407.264 1.757 30 10 HDEE COC(=O)[C@H](O)C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1188434659 FLXXUXMOVKTADG-CQSZACIVSA-N 417.281 1.255 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br)C(=O)OC 1191201667 OTYZAPIZTIFAKV-LLVKDONJSA-N 422.228 1.218 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2CCC(c3ccccc3)CC2)CC1 1227237802 BIUNLHFDYAVEEO-UHFFFAOYSA-N 418.563 1.755 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 1229292363 RRQSCMQJNHLIDU-IBGZPJMESA-N 400.523 1.571 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1252548470 HUIARXQRLZZTEX-NSHDSACASA-N 403.482 1.057 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)C1 1254630374 MVFFVFRWEKUEGY-VQTJNVASSA-N 400.523 1.870 30 10 HDEE C#CCN(C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1264995811 SWCMFWSRNZIXFQ-CQSZACIVSA-N 402.394 1.379 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@]1(O)CCOC1 1286372938 AHTGHAADTZKPLE-OAQYLSRUSA-N 419.526 1.613 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389585 MTJDBPXTURSHNU-PKOBYXMFSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286393951 MMTZPOXJBDUPIT-QGZVFWFLSA-N 404.540 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCOC2)CC1 1286490795 SKADOISZWXYMFD-NRFANRHFSA-N 401.511 1.053 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1286711810 SVQFPKYSQAOECP-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1286764529 RQNCECWISMWXJB-HYDGNGQDSA-N 417.535 1.968 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1286789827 XIEHJOICNVTLQA-UHFFFAOYSA-N 423.926 1.059 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286794092 WLZRYYLETDOPFW-DYESRHJHSA-N 415.469 1.669 30 10 HDEE CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1F 1289205087 MGWLNNREEDMSRC-LIRRHRJNSA-N 407.467 1.821 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 1290465440 JSDSYPCWOMAENS-UHFFFAOYSA-N 402.451 1.645 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)s1 1290680859 CSICIMOCWLCOHT-OCCSQVGLSA-N 423.568 1.711 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1290880547 IOFIEOAVAHUZRK-NXOAAHMSSA-N 418.498 1.340 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(=O)(=O)CC 1300286138 DUDHECITQQMDGU-CYBMUJFWSA-N 410.931 1.781 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1300307116 BORJDIIVXAMNJR-IRXDYDNUSA-N 407.584 1.903 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(C)cc1 1300430610 OQVNRUIRRCUCNV-CVEARBPZSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCN1CCCO 1300526565 JXWPAKLRDKSSRT-IBGZPJMESA-N 407.518 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](COC)OC)CC1 1300718437 OIWRCNRVXZRSJO-QGZVFWFLSA-N 415.494 1.474 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCNC(=O)CC1)C(C)C 1301368097 XJZIIGDVGXLWAP-IBGZPJMESA-N 424.553 1.760 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1303687959 UNFAFXZXZKUDCB-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C(C)C)[C@H](O)c3ccccc3)CC2)o1 1307752796 BMAUZSACGJIUCV-LEWJYISDSA-N 411.506 1.851 30 10 HDEE C[C@H](OCCCNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1308127743 HDXLSVRHEGZZIP-XKGZKEIXSA-N 405.520 1.141 30 10 HDEE C#C[C@H](NS(=O)(=O)CCn1nc(C)oc1=O)c1ccc(Br)cc1 1309531202 HDROPQCXCWGMNK-ZDUSSCGKSA-N 400.254 1.201 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2)c1 1312947912 ULMTYICYIKSYBB-HDICACEKSA-N 402.520 1.209 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1358889649 FGLLXUAZIZDJEF-HOTGVXAUSA-N 409.556 1.505 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1358926045 ABTXIBFNEXVDTB-IBGZPJMESA-N 423.565 1.830 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1358937398 UALSOASJBLVJDJ-BMFAXAFESA-N 401.511 1.663 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)cc1 1358938561 DVNKCWCRAMVYEL-HNNXBMFYSA-N 405.524 1.599 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1358955435 LVZJRDHUHIFVLD-KJPDOMRESA-N 405.524 1.107 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1358963857 OZMIQKQXDOSLOW-NVXWUHKLSA-N 420.560 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCCC 1358968317 HGCRRUSFRMICNW-UHFFFAOYSA-N 406.490 1.746 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC[S@](=O)C(C)(C)C)CC1 1359033629 JILDJDPZIRHMBK-NDEPHWFRSA-N 400.552 1.643 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCCS(C)(=O)=O 1359104409 AWIMTXXQEAXRQE-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnnn1CC1CC1 1359115524 CCIIBEJSIKMOBC-UHFFFAOYSA-N 410.530 1.987 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1359121709 FJZYOIMTWUUJLI-KGLIPLIRSA-N 424.527 1.873 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1359277488 NMKIMPKGROLQAE-UZLBHIALSA-N 401.467 1.209 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)C2CC2)C1 1359327285 XOIVELSFTKDAPY-DBSRCYSRSA-N 406.527 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CC(=C)C 1359333137 OTXDMLJWUKRFGS-HNNXBMFYSA-N 416.569 1.183 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1439566684 JPFUDSYWMAEDIM-JSGCOSHPSA-N 409.895 1.600 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1443918122 LDYUIPAOYAGZFX-UHFFFAOYSA-N 410.312 1.617 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1455207167 ZBOYHCDYSGUWBV-HKUYNNGSSA-N 408.520 1.876 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)NCc3ccc(F)cc3)C2)nc1 1456059434 HLGODBGGWRNQSA-SFHVURJKSA-N 410.453 1.995 30 10 HDEE CC1(N2CCCC2)CCC(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1462821504 LKUQWJYHPAOHJL-UHFFFAOYSA-N 404.536 1.638 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)c(=O)nc1O 1465933073 GVYADQQZKOYYRY-LBPRGKRZSA-N 409.229 1.807 30 10 HDEE Cc1ccc(C(=O)NCc2cc(Br)no2)cc1S(=O)(=O)NCC#N 1468176271 SXDZKVIQACCRGK-UHFFFAOYSA-N 413.253 1.477 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1c(I)cnn1C 1470008372 SWWNVELSXKNYFU-GXFFZTMASA-N 404.252 1.805 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ccnc(-n4cncn4)c3)C2=O)cc1 1478423110 XTFYBPKHUJIRSK-SFHVURJKSA-N 416.445 1.529 30 10 HDEE CCN1CCN(CCCn2c(-c3ccc(C)o3)nnc2N2CCO[C@H](C#N)C2)CC1 1502354288 FULILDCLFHDELF-GOSISDBHSA-N 413.526 1.603 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1503213863 NHRYZEBZUBGBPG-UHFFFAOYSA-N 412.494 1.857 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1503259051 QYUACFALQQCXJJ-UHFFFAOYSA-N 412.475 1.802 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1503942866 FQOJAJKONMIHRV-QGPMSJSTSA-N 410.478 1.478 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(=O)NC1CC1 1507517749 JJFDMWONIGXPGI-KKSFZXQISA-N 403.527 1.835 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1507632322 ZCSWPPUTZIBHDY-GOSISDBHSA-N 417.535 1.784 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1507654372 ZXDQFKJEJPKOJH-INIZCTEOSA-N 416.478 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1nnc(C)s1 1507657410 XXJABNAZGYWUCN-UHFFFAOYSA-N 416.514 1.992 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507830210 XCGOQGNQQMKDRV-OAGGEKHMSA-N 404.515 1.173 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2nccs2)CC1 1508090636 JRHPAUUTQICCLY-HNNXBMFYSA-N 417.539 1.257 30 10 HDEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516545457 YAKUCYOPFFYUFX-CECJQHFESA-N 413.482 1.471 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1517068975 AZLSGTFIFIWKIM-UHFFFAOYSA-N 407.434 1.148 30 10 HDEE CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@H](C)O2 1522349309 NTKUCFQSSYIAIT-SIFVSHMBSA-N 400.519 1.678 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1529660544 PDZDSGFYQMWZKH-JJRVBVJISA-N 406.464 1.946 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@@H](CC#N)C(F)(F)F)CC2)c1 1538123314 YPXOCTOENBVKBU-HNNXBMFYSA-N 418.441 1.408 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539140681 AUUJTMCFVMBBLU-IAGOWNOFSA-N 407.540 1.547 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSCCCO 1539154924 OHKUHKCJWPCUBV-UHFFFAOYSA-N 408.549 1.534 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(CC(C)C)C1 1539231137 OZTFHCADSKCYJJ-HXUWFJFHSA-N 410.566 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2cc(C)nc21 1539331009 GLFYEGOYOXNNLD-LJQANCHMSA-N 419.533 1.946 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1539369320 JMPRGLOITQKTLK-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCOC1 1539417802 VAWIKHOBTDQJPU-HXUWFJFHSA-N 406.433 1.385 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1539447103 OCFJHTFPLIPEAJ-GOSISDBHSA-N 411.506 1.603 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1540873924 OMJRBKUJQAOWON-QFIPXVFZSA-N 424.505 1.396 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1541678717 HPOLOCBHPOKBLZ-CABCVRRESA-N 416.457 1.752 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(OC)c1 1542122128 NNWMSIVGXVTTJZ-FVGNFYTDSA-N 415.446 1.722 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1 1542338030 ZAIDTJFQXDYGHK-UHFFFAOYSA-N 403.460 1.912 30 10 HDEE C#CCN(CC(=O)N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1)C(=O)OC(C)(C)C 1542741169 CJEUKRMPTIGANW-KDURUIRLSA-N 406.571 1.874 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CC1 1544079070 OFXBBZDJADDDTJ-SFHVURJKSA-N 412.490 1.622 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)C(=O)OCC 1544344950 NSTYYDZAYFIHPO-AWEZNQCLSA-N 412.870 1.994 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554693980 CLCKDXUEQHASTG-CILBIJLJSA-N 414.510 1.762 30 10 HDEE C[S@](=O)C1(C(=O)NCC#C[C@H]2CCCCO2)CCN(C(=O)OC(C)(C)C)CC1 1558750592 HMMRHZSXZACOSL-HJWYETAXSA-N 412.552 1.823 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccc(Cl)cc1 1558806594 UXIIOQVYDSPQFB-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE C#CCCN(CCOC)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1560023999 UHHFGQXAORUTEZ-UHFFFAOYSA-N 406.508 1.067 30 10 HDEE C#C[C@H](NC(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC)C1CCOCC1 1562591004 GBOJTRHHPJOGMY-INIZCTEOSA-N 402.451 1.733 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1565008898 GAZCELSUVJCKIG-NSHDSACASA-N 415.468 1.205 30 10 HDEE N#Cc1ccc(OCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 1565629666 FQNZFXOFKZZYBS-WUKNDPDISA-N 419.235 1.342 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OCC[C@@H]4C3)C2)C1 1566429787 SSFXUBITTVFULT-KXSVDRQTSA-N 418.494 1.826 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC(O)(c2cccc3ccccc23)C1)c1cc[nH]n1 1583131370 WDKIVFYKCUBBLI-UHFFFAOYSA-N 422.441 1.577 30 10 HDEE C#CCSCC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1584586939 XRQQWGWVNSOJCQ-UHFFFAOYSA-N 403.548 1.255 30 10 HDEE Cc1nc(CC(F)(F)F)sc1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1585296185 QOPXBBLZJBNPAT-UHFFFAOYSA-N 401.370 1.049 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1587909369 JPGNWPFPKVUREZ-HNNXBMFYSA-N 404.540 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588229114 RCDFGOKKZCTACO-RTBURBONSA-N 413.522 1.130 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N(C)C 1588574915 WHVVXTDPZQPPHT-OAHLLOKOSA-N 403.458 1.731 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1N(C)CCCC1(C)C 1588638808 XBMLGSOOXVLTOF-SJORKVTESA-N 402.543 1.436 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1589070062 QHPPDPINSIVKQK-HOTGVXAUSA-N 412.581 1.409 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589589405 HUWDHFVKTHNLJC-HNNXBMFYSA-N 412.560 1.100 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1594894816 AAICKTMWARGSAS-UHFFFAOYSA-N 406.508 1.516 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595602619 OPWOMSWLUXQSBH-QGZVFWFLSA-N 418.542 1.515 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1595673610 IJFOUGGYPSYCIM-HNNXBMFYSA-N 412.556 1.297 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595838477 UOWNMSKADLXYPN-KBPBESRZSA-N 407.496 1.547 30 10 HDEE C#CCN1CCC(NC(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1596609684 CUZYBIGLWVYPBX-UHFFFAOYSA-N 413.518 1.583 30 10 HDEE CC(=O)N(C)C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1597894572 DJHMGJUDMMAVOR-GOSISDBHSA-N 411.462 1.233 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1nncn1-c1ccccc1 1608351204 AMGVPMQKYPSWHQ-UHFFFAOYSA-N 419.493 1.785 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1611301914 CLHBRZICHCOYSD-CXAGYDPISA-N 407.478 1.302 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(OC)CCC2)CCO1 1618692892 GVXDNMAXXQWUDB-GOSISDBHSA-N 424.505 1.727 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C[C@@H]1O 1620299835 JOXRWFBAASTSNP-BEFAXECRSA-N 420.473 1.933 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1623599267 MAQNHWLARDVUOC-OAHLLOKOSA-N 403.439 1.016 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)CC1 1624594959 HBANAZKBEGOFDA-UHFFFAOYSA-N 410.492 1.497 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)C[C@H]2C(=O)OC)s1 1625753727 OEWRIWMXTHTFML-OCCSQVGLSA-N 400.522 1.555 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)C2(C#N)CCSCC2)c1 1628375373 JYMPXTZPFAQRFM-GFCCVEGCSA-N 410.521 1.075 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1628511233 VLEFHOJNXFGMSU-HXUWFJFHSA-N 418.559 1.857 30 10 HDEE COc1cc(CN(C)C)ccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1629508191 AEKXYHOOOVFWCM-AWEZNQCLSA-N 416.503 1.934 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)C[C@H]2C=C[C@H]1C2 1632365619 YBJQMYKGEAQAIT-BJMYLWLSSA-N 417.531 1.583 30 10 HDEE C#CCN1CCC(C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CC1 1633427940 VAXVSZSQZABGCE-UHFFFAOYSA-N 403.483 1.168 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCS(=O)(=O)C[C@H]2CCO)s1 1635345593 GVKWAMXYWQCSHS-GFCCVEGCSA-N 424.997 1.847 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1635548867 HJXVDIZEHZMWHJ-IDHHARJASA-N 414.487 1.657 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2sc(CS(C)(=O)=O)nc2C)n1 1635721904 UGHCCTKGZZDWGC-UHFFFAOYSA-N 424.548 1.044 30 10 HDEE C=CCn1cc(CNC(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1 1636330563 HXRFJGSFRRNFSL-IBGZPJMESA-N 406.487 1.386 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N[C@H]1CCN(O)C1=O 1636352464 IJFAEOJTVIMFNK-LSDHHAIUSA-N 403.435 1.975 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC[C@H]4OCCNC(=O)[C@@H]43)CC2)c(F)c1 1636384336 IMVKLBUBCQYCIQ-RTBURBONSA-N 400.454 1.420 30 10 HDEE C=CC1(CC(=O)NCC2(N3CCOCC3)CCOCC2)CN(C(=O)OC(C)(C)C)C1 1637597589 PXBDCKRDSDBAJQ-UHFFFAOYSA-N 423.554 1.797 30 10 HDEE N#C[C@H]1CN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CCN1Cc1ccccc1 1638172410 SUNHFKOBENSCCI-SEBOWIOWSA-N 416.547 1.762 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)ccn2)c1 1638756853 XZXDELSVSPQODK-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE C=CC[C@]1(C(=O)N2CCCN(CC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 1638876771 CZXRQNMQVIGWIO-OAQYLSRUSA-N 408.543 1.613 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 1644638558 ULWMGQKOOSTBRH-HNNXBMFYSA-N 420.307 1.778 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)cc1S(=O)(=O)NCC#N 1645744159 YWSFXKTVOSDDTM-DLBZAZTESA-N 407.492 1.207 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1648572212 QGDVSFHPDFDNTE-KRWDZBQOSA-N 424.542 1.433 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C(=O)OC 1648791058 DYVFYNPIHHQJPV-GFCCVEGCSA-N 419.297 1.643 30 10 HDEE CC1(C)CC2(CO1)CC(NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1653310994 WNEYJPKQTWUCFI-UHFFFAOYSA-N 405.520 1.969 30 10 HDEE N#Cc1cn(CC(=O)Nc2cc(-c3ccccc3Br)no2)c(=O)nc1O 1654323827 FVEZJYSXSILCKP-UHFFFAOYSA-N 416.191 1.877 30 10 HDEE CCC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1654791542 RQMFSDMLZNSMJV-FQEVSTJZSA-N 415.513 1.525 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC[C@H](O)COc2ccc(CC#N)cc2)C1 1660169711 AGPIZSRKPSPSRJ-PGRDOPGGSA-N 419.522 1.844 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1665970777 DIXCOJFOUZYQJW-GOSISDBHSA-N 405.520 1.652 30 10 HDEE C#C[C@H](NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 1668698003 GCTINUHVVYWKBI-OKHZJLECSA-N 421.338 1.921 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 1671950315 QAYIYDDBOZFHNV-UHFFFAOYSA-N 411.499 1.978 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N[C@@H](C)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1676787977 BCOCTKPGQXYWLT-MAUKXSAKSA-N 405.520 1.547 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCN3C3CCOCC3)C2=O)cc1 1680778881 OBMJHGUBWRLZTM-VQTJNVASSA-N 411.506 1.212 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1)C(=O)N1CCOCC1 1683557867 SMSFRQAWKXFGBS-PMACEKPBSA-N 414.506 1.915 30 10 HDEE N#C[C@@H]1CN(C(=O)NCC[S@](=O)CC(F)(F)F)CCN1Cc1ccccc1 1683793893 ZPCUYDACTRNSJE-RXAIFQJESA-N 402.442 1.717 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1 1684082408 ASRRLVBWRDNRKY-HZPDHXFCSA-N 408.424 1.903 30 10 HDEE C#CCN(C(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1)[C@@H]1CCS(=O)(=O)C1 1684576106 OUEVVVMXIODFPV-QRHJNKNDSA-N 414.549 1.036 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)nc1 1685470164 GSDBPVUNVIMYIA-XYTVBORESA-N 403.508 1.647 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(NC(N)=O)CCCCC1 1686159316 GLAFFANOZOZMOK-MTSZKFMLSA-N 404.511 1.197 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1689883910 BWTSOPCECJGPRT-UHFFFAOYSA-N 418.567 1.947 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](CC)OC 1690017629 HYTHAFVPOJIKFW-LJQANCHMSA-N 407.522 1.950 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)c(F)c1 1690025621 XXPZOSQBPOUJIO-UHFFFAOYSA-N 408.481 1.727 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1690074288 XEQFCTQGYAYSSK-KRWDZBQOSA-N 415.519 1.335 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 1690236051 HUXCAKBIGUTTQI-IRXDYDNUSA-N 418.542 1.360 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690236207 JQVMLABIAOOAGJ-CKJXQJPGSA-N 418.542 1.360 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690487676 BFGCRDWMJKDVSY-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CC(=O)N(C)C)CC1 1690671067 OKIRZTZIUWOEPH-KRWDZBQOSA-N 418.542 1.517 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1693927169 CDYJTKXQPCHIIB-DYESRHJHSA-N 411.510 1.884 30 10 HDEE CCN(C)C(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1695495098 BLGDIZFFIHJIOU-GJZGRUSLSA-N 416.457 1.764 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(OC)CCOC2)CCOC1 1696045420 CANMPLYHLJMXSI-LEWJYISDSA-N 419.526 1.866 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696090594 TVPVKFGBSLQRPZ-XLIONFOSSA-N 417.466 1.295 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697041868 CIQXEGNFDAWNGV-JFVSRZABSA-N 416.482 1.101 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSC(F)(F)F 1698170695 MVVVGKUEMDYVII-RYUDHWBXSA-N 409.434 1.984 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705515791 MMAPAUWAILCJQL-SJORKVTESA-N 414.510 1.796 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCC(=O)N1CCOCC1 1705578736 DKHHAOHFEFUZSB-UHFFFAOYSA-N 411.893 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1705612174 BHVOECIUGTWHIN-GOSISDBHSA-N 424.530 1.874 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H](C)N2CCOCC2)CC1 1705637323 RUSJZFWICXPOGK-GOSISDBHSA-N 412.513 1.560 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1705706469 VJAHDBOEKZDSJK-UQASEVPWSA-N 416.526 1.083 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)C1 1705708941 IVWQISTVRNYKPL-MGPUTAFESA-N 415.469 1.914 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705709926 UAFWKCWIMFIMCB-AOIWGVFYSA-N 407.515 1.137 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705904279 LAYSGKIXGVFQTN-UHFFFAOYSA-N 417.558 1.505 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)CC(F)(F)F 1705935133 IDTXMHFVMKHDDX-UHFFFAOYSA-N 403.430 1.863 30 10 HDEE C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1706902605 CZFSRAOJFAFOKD-KUHUBIRLSA-N 416.507 1.098 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1706965103 KXJWUNVZYQGCAJ-LHUKNYEISA-N 419.526 1.731 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCN(C)C 1709148140 DAHPOGBMUSTYGY-UHFFFAOYSA-N 411.554 1.613 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCOCC(F)F)cc1 1712878511 GFZGKGDOSGSSPN-JKSUJKDBSA-N 416.432 1.813 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc(C4CCC4)n3CCOCCCO)CC2)c1 1712882105 WSGTUNOLLUZYAE-UHFFFAOYSA-N 411.510 1.538 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1722344410 IYURQUGYODTWFX-GJZGRUSLSA-N 403.508 1.524 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C1OCCO1 1722385553 KPCFQOGSRXFMQT-UHFFFAOYSA-N 419.485 1.567 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1722592997 FAKSXSSVTGFHQC-IIBYNOLFSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCCOC)CC1 1722694150 MPUOTJDUDWKMJN-UHFFFAOYSA-N 424.505 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722694749 GOYLJNXKQLTDGI-SFHVURJKSA-N 421.505 1.614 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC[C@H](C)C1 1730762246 BYEPOBMTFRWTFL-KSZLIROESA-N 417.558 1.716 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1730872490 WRUTZUTZPOGQDE-QRQLOZEOSA-N 416.526 1.524 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1730973951 ZAZNRYUPJTTYES-HNNXBMFYSA-N 420.495 1.008 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740557119 LJVIYDLTQLQZBP-HOTGVXAUSA-N 418.519 1.758 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1740616469 BNRJVTOXPCOCOQ-MRXNPFEDSA-N 402.524 1.369 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS2)CC1 1740710060 PVKJSEFGXOXCFN-DLBZAZTESA-N 403.552 1.991 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740816695 KXUSSKOUYWGSNC-RTBURBONSA-N 409.918 1.788 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCN2C(=O)NC[C@H]2C1)C(C)C 1740925964 FKMFDQVNORCFDU-ZWKOTPCHSA-N 401.559 1.753 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCSC1 1740928777 VBBGDDTZMXGNCE-HXUWFJFHSA-N 424.534 1.967 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740951246 DNFUWKPPPFUCNB-DLBZAZTESA-N 401.515 1.504 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOCC)CC2)nnc1C(C)(C)C 1740995723 VRGJTJOVPMENEI-UHFFFAOYSA-N 413.588 1.335 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1741652828 DLFMDYZLWBMAKQ-HRAATJIYSA-N 416.526 1.884 30 10 HDEE C#CCCCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748727843 XFNHOFJNFCMBGY-NRFANRHFSA-N 403.527 1.824 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1748747308 GFDWJCOOSTWSAQ-IBGZPJMESA-N 422.533 1.973 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1748798793 AHSRELVYLNYWNY-UHFFFAOYSA-N 413.522 1.782 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](F)COC 1748965310 RLTDXPCIMZNYJO-MAUKXSAKSA-N 404.442 1.861 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@@H]2C[C@H]2C)CC1 1749003427 JNJQUWCZLDDQDM-CDMIOBSGSA-N 415.538 1.865 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749027720 STLDVUBCGAGRND-MSOLQXFVSA-N 406.515 1.898 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@H]1C 1749055330 HPBQPSOYQKVATR-ZXNZYJFHSA-N 404.511 1.462 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N(C)C 1749071547 IGVKJBAZNKIEFE-JOCHJYFZSA-N 405.506 1.987 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749627114 DLTSTOLUVZQVBU-PMACEKPBSA-N 418.586 1.589 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2snnc2C)C1 1749721804 ULWNRRKQGYSOFL-ZOBUZTSGSA-N 420.539 1.992 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1749729424 JFOCFPMPVPEAQL-OAHLLOKOSA-N 417.491 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCCOC1 1749729745 QMXMSTHEZZFGDG-INIZCTEOSA-N 407.540 1.747 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCSC[C@H]1C 1749735290 RCQVZFUWWBXRAV-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749761973 KCESOGXWERIALM-QGZVFWFLSA-N 405.568 1.977 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1750791985 GWMBFZGNDNDIHW-UHFFFAOYSA-N 411.510 1.965 30 10 HDEE C[C@H](Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1751124116 AQCFTEIAVVMHLF-QGZVFWFLSA-N 417.521 1.883 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760154811 JILYGWARALFKEM-QGZVFWFLSA-N 419.551 1.042 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C2CC2)C1=O 1760224568 PJDUEFZFULSDDX-OAQYLSRUSA-N 400.527 1.667 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C 1760233233 RXZGLAFQPMHSNP-UHFFFAOYSA-N 405.480 1.066 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC(C)(C)O)n1 1760252560 PNTZUUQFTRHKDZ-UHFFFAOYSA-N 409.494 1.594 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCn2ccnc2C)CC1 1760262293 KTDBEQQBPDXMLZ-UHFFFAOYSA-N 407.497 1.968 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)C2CC2)CC1 1760268668 VKXNFEPIPCWSOH-JOCHJYFZSA-N 410.522 1.410 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760280869 JJRMVWBOLDRACV-OXQOHEQNSA-N 406.552 1.923 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1760451304 FGURORGVRNSIML-IBGZPJMESA-N 410.522 1.984 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1)C1CC1 1760471350 SXGPPMKICDUWDP-HUUCEWRRSA-N 419.555 1.502 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1760528911 QPSSWDDSXHFJMX-IIBYNOLFSA-N 415.494 1.819 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CC=CCC1 1764187000 AVALGVLZMVVNMM-QGZVFWFLSA-N 401.515 1.187 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1764378443 HMDOLQYGOAUJTJ-IBGZPJMESA-N 407.522 1.970 30 10 HDEE COc1ccc(COCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1768694714 WQMLDDKYHQBNKP-IBGZPJMESA-N 423.477 1.633 30 10 HDEE N#Cc1cc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)ccn1 1850370760 QQYICQSRBKAVTI-UHFFFAOYSA-N 419.420 1.708 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn3cccnc23)cc1 1851664460 AIQFAUYTXHGCPV-GOSISDBHSA-N 407.430 1.538 30 10 HDEE CC(C)(C)[C@@H](C(=O)Nc1c2c(nn1CCC#N)CCC2)N1CCS(=O)(=O)CC1 1851786512 XVDGIGPIZYSNCL-MRXNPFEDSA-N 407.540 1.369 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1nccc(N2CCOCC2)n1 1852048765 AUBHEYLXDOZUKK-LBPRGKRZSA-N 401.858 1.561 30 10 HDEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)n2)cc1 1852259739 BCAAFFJIJKUBCK-UHFFFAOYSA-N 418.461 1.216 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 1852688752 MMIVOPYCIZAXAT-SFHVURJKSA-N 411.955 1.810 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(Cc3nnc(C4CC4)o3)C2)CC1=O 1853679140 DYQFQVMPDWNINZ-RDJZCZTQSA-N 401.511 1.794 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cn2ccnc2C2CC2)C1=O 1854189322 HELKMDFESIEYBY-QZTJIDSGSA-N 413.522 1.387 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccncc4)C(=O)C3)C2)c(F)c1 1854195579 GWWODVBXFSCFHU-IBGZPJMESA-N 407.449 1.651 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854354398 KKMSOWZYWQMEIR-PKOBYXMFSA-N 400.454 1.121 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)C1 1854600009 YAIFVKZPTDWUKK-UHFFFAOYSA-N 411.549 1.396 30 10 HDEE C[C@@H](CC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O)n1cnc2c1CCCC2 1855009351 ZAXZLAHGAUMPLS-ROUUACIJSA-N 412.538 1.372 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)cc1 1855119078 TVMXXBCMKVLRKI-SFHVURJKSA-N 417.487 1.652 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)c2cn(C[C@H]3CCOC3)nn2)C1=O 1855402316 MUPIBWOAOOPRAZ-HZPDHXFCSA-N 408.462 1.858 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)Cn2nnc3ccccc3c2=O)C1 1855406931 BOJGFIFGABITBE-IAGOWNOFSA-N 409.490 1.597 30 10 HDEE Cc1cnc(C(=O)N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cn1 1855961426 NENAURMLCVFBPT-GOSISDBHSA-N 405.462 1.005 30 10 HDEE Cc1ccc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)c2c1 1856118561 JWCOPOZMWOAYRV-UHFFFAOYSA-N 414.487 1.768 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2cccc(F)c2)C1)C1CN(c2nccnc2C#N)C1 1856228152 KAXOWASQLSGSQK-CQSZACIVSA-N 408.437 1.297 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1(C)C 1856395344 OQBZMEFXJGZFLH-QGZVFWFLSA-N 423.510 1.614 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)C(=O)C2)C1 1856840306 VIZCRFOHSYIEIG-ZWKOTPCHSA-N 414.506 1.184 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCCc3ccccc3)C2)CC1 1857042132 SCTOVIXCAYIPBD-IBGZPJMESA-N 417.531 1.950 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)C3CC4(C3)CC(F)(F)C4)C2=O)C1 1857107718 XJOCYTOWKNVAMT-MRXNPFEDSA-N 416.428 1.969 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3ncoc3C3CCC3)C2=O)C1 1857120636 ZUKONYLXYVASFG-INIZCTEOSA-N 407.430 1.713 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)CCn3ccnc3)C2)CC1 1857269165 KGWCGESIFVXCOC-QGZVFWFLSA-N 406.490 1.795 30 10 HDEE C#CCOc1cn(CCN(CC)CC)c(CN2CCC3(CC2)OCCO3)cc1=O 1870561885 HRVLGUUORYUNPZ-UHFFFAOYSA-N 403.523 1.541 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(C(C)=O)c2)c(=O)cc1CN(C)CCO 1870646763 HGQGRZAVZJOWOT-UHFFFAOYSA-N 413.474 1.679 30 10 HDEE C=C[C@@H](O)Cn1c(C)nc(I)c1I 1883341120 XIXAGUHVKBEWLW-ZCFIWIBFSA-N 403.989 1.948 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(=O)c4ccccc4o3)CC2)CC1 1890228067 SOHIYLWLRCYWKW-UHFFFAOYSA-N 423.513 1.665 30 10 HDEE C#CCN(C(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123517059 BVHWWGLJDYDUKK-KGLIPLIRSA-N 404.554 1.282 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139217214 XMLZKYSZEKOQCM-YWZLYKJASA-N 421.494 1.028 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2174779880 NYMIHECUDVZKPW-ZIAGYGMSSA-N 400.545 1.948 30 10 HDEE C[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NS(=O)(=O)CC1(C#N)CCOCC1 2174788871 JXRDDSAGVZBPKR-CQSZACIVSA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 2180113130 NGVBYCPBSGYFAN-XHDPSFHLSA-N 412.430 1.481 30 10 HDEE C=CCC1(C(=O)N2C[C@@H](CS(N)(=O)=O)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2181118457 ACUAJPIBYNLJCK-KBPBESRZSA-N 401.529 1.183 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C1(C)C 2184351894 HXFWPJXTVLSXIZ-QLFBSQMISA-N 400.545 1.996 30 10 HDEE C#CC(CO)(CO)NC(=O)[C@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2242273633 ULRYGXPFVZIIEQ-HNNXBMFYSA-N 408.454 1.386 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 2243686202 JCXHIKPXPQUWDM-UHFFFAOYSA-N 423.344 1.925 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247837954 AIZMIGWRVPGNPV-KBPBESRZSA-N 422.287 1.601 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247839386 WRILQVORHNGYIS-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE Cc1c(C(=O)NCCN(C)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247917824 LFESMKIHMUKAJS-UHFFFAOYSA-N 412.343 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](CO)CC1 2247929833 AEMAIPSYKYUHAF-HOTGVXAUSA-N 422.331 1.745 30 10 HDEE C[C@H](CC(N)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355055 RVJTZRAUVZMKDT-MRVPVSSYSA-N 408.738 1.243 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](O)C3CC3)cc2Cl)OC1(C)C 2267358282 DWPDBCPBWWNXGA-LLVKDONJSA-N 407.750 1.750 30 10 HDEE COC1(C(N)=O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281958647 IAQATCWGTCILQJ-UHFFFAOYSA-N 400.693 1.027 30 10 HDEE CON1CCC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282332537 CMFIYIYMUUSPLH-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@H](CN)C2)OC1(C)C 2282491271 KINJZYULTQAVGH-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@@H]3CN)c(Cl)c2)OC1(C)C 2282496898 JDAAGUXADIKPNT-NOZJJQNGSA-N 421.155 1.918 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCC[S@@](C)=O 2282507714 LQPJDGPGJQBFHR-RUZDIDTESA-N 401.359 1.341 30 10 HDEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282646754 SGCHZGHJVIAFKV-KOLCDFICSA-N 419.761 1.864 30 10 HDEE COCC[C@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848982 VDKBDCFRNGRZDF-INIZCTEOSA-N 405.347 1.113 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](C)C1O 2282850362 OCLSQSGFCZTVME-RYUDHWBXSA-N 401.359 1.685 30 10 HDEE CC1(C)CNCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852195 LZDFFNTUULYHGG-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CN(C1(CO)CCCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855586 GYFFDYBNPOXEBE-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(F)CCCNC3)c2)OC1(C)C 2282858243 UFPDWZXOCDCJIB-MRXNPFEDSA-N 404.338 1.417 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](C)CS(=O)(=O)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282872824 BUFMNKCHEGSUGA-ZDUSSCGKSA-N 409.379 1.695 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@H]3C(=O)O)ccc2Cl)OC1(C)C 2284393482 LLCXPDIKFSJWKQ-MFKMUULPSA-N 401.677 1.391 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284395733 OUAKKCQIMIYKHO-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C(=O)O 2284397521 MRSNYIMLWAAMDV-GFCCVEGCSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H]2C(=O)O)OC1(C)C 2284406415 YBRLLHZTJRBZRJ-GFCCVEGCSA-N 401.315 1.426 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413569 LUXDGNQNFIKZND-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC(=O)NCCNC=C1C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 2297378552 ULUTUHGSSKVFKX-UHFFFAOYSA-N 423.491 1.987 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2325704630 FAYOXAUXBTWNKO-UHFFFAOYSA-N 403.416 1.183 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccnc1 2331273446 HPFFZAIONGRRSR-UHFFFAOYSA-N 403.493 1.932 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367786168 HPDBHJKRYIMIAI-CVEARBPZSA-N 401.525 1.495 30 10 HDEE Cn1c(=O)c2ccccc2n2c(CN3CCN(c4ncccc4C#N)CC3)nnc12 96993229 CQEVOCNUKNLMCS-UHFFFAOYSA-N 400.446 1.170 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 409557692 LWPFGWLSIKENNR-UHFFFAOYSA-N 418.922 1.704 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CCC3)c2=O)c1 430974989 HEVMAWQZECBTAN-UHFFFAOYSA-N 410.499 1.129 30 10 HDEE COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 433623706 WJCCQHIRPHAYAR-KSFYIVLOSA-N 407.426 1.700 30 10 HDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCCOc1ccc(C#N)cc1 443530020 NZCKMCHSXNDXAU-CQSZACIVSA-N 402.476 1.987 30 10 HDEE COc1cc(N2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)ncn1 461348908 BSJOWCHYYLRWEP-BATSVXPKSA-N 400.527 1.927 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1c(F)cc(C#N)cc1F 466323900 FNFAPGBOESGCDI-SECBINFHSA-N 413.427 1.624 30 10 HDEE COCc1nc([C@@H]2COCCN2C(=O)Nc2ncccc2OCCCC#N)no1 466614055 NQHOOIDMYYYLTH-ZDUSSCGKSA-N 402.411 1.899 30 10 HDEE Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)n2)cc1 467076752 WLORTKQNWNKRPU-JKSUJKDBSA-N 420.477 1.975 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CCC1 477478287 KVCDAQZMPMWLCF-UHFFFAOYSA-N 410.927 1.920 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2cccs2)C1 483094138 XDOULVFEPUFZFF-CZUORRHYSA-N 405.501 1.887 30 10 HDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1ccnn1C 489851473 OUSVHLFXMMDKKD-SFHVURJKSA-N 416.551 1.339 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(CCOc4ccccc4C#N)CC3)C2=O)n(C)n1 506651142 HDWJRHYCEMLTOI-HXUWFJFHSA-N 422.533 1.792 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 508890878 ZJJXTZOKPIRRAD-MRXNPFEDSA-N 403.508 1.640 30 10 HDEE CS(=O)(=O)C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 538065785 HCPZKORGLZFQCJ-GOSISDBHSA-N 413.503 1.571 30 10 HDEE Cc1ccc(C(=O)NCCCc2c(C)nn(C)c2C)cc1S(=O)(=O)NCC#N 540478211 DUDJPOHEQNKPIT-UHFFFAOYSA-N 403.508 1.510 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 542453341 YSILHOFURAPXSH-DOTOQJQBSA-N 420.477 1.159 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc([N+](=O)[O-])c1 544833963 PECJLZLJBQSIHH-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE N#Cc1cccc(N2CCN(c3ccc(C(=O)N4CCOCC4)cc3[N+](=O)[O-])CC2)n1 546178001 FPKRPLBKCLMRBL-UHFFFAOYSA-N 422.445 1.660 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 549234170 HYBDNYAJAZCBIN-SJLPKXTDSA-N 408.520 1.448 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 555254636 RYZHBCKVPURMOT-HNNXBMFYSA-N 410.500 1.120 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COc2ccc(F)cc2C1 565453724 PXGNANUQGSJORG-LRDDRELGSA-N 403.435 1.484 30 10 HDEE CCCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc21 586308763 OYMCKQHMKUYMHS-IZPCHGGPSA-N 419.503 1.514 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N[C@@H](C)CC)cc21 586314401 PAVSLJVBOLKKOU-NEDKSNMVSA-N 406.504 1.833 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CN3CCCCC3)cs2)CC1 588767715 BHVKTAUEPWAXSU-UHFFFAOYSA-N 406.556 1.581 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1 604186914 ZVMKMOBXXCKCFK-UHFFFAOYSA-N 400.416 1.462 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)NCCc3nnnn3C)c2)c1 611316735 WTLPFBIPFYCYAF-UHFFFAOYSA-N 404.430 1.761 30 10 HDEE COc1ccc(CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)cc1OC 619510048 GLESERCBODVCPE-UHFFFAOYSA-N 409.490 1.751 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619751157 QLNYXMQUYJAMQA-HOCLYGCPSA-N 400.526 1.371 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCc3cc(C)no3)nnc12 672293291 KAICCVRWVPZSQD-UHFFFAOYSA-N 424.486 1.978 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1 679524162 BRCNFDAMWVFHFY-UHFFFAOYSA-N 402.472 1.918 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCCC 729670204 LUMPHDBRUVAQDO-UHFFFAOYSA-N 407.499 1.163 30 10 HDEE C#CCN(Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCS(=O)(=O)C1 731213609 HQHAPQUCKVQBJF-MRXNPFEDSA-N 424.569 1.836 30 10 HDEE C[C@@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 731728586 OGUIRQVTKYHMOJ-CYBMUJFWSA-N 413.471 1.722 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 732155763 FCUZKJBQEBZNPQ-CZIZESTLSA-N 417.487 1.659 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n([C@@H]3CCOc4ccccc43)c2=O)cn1 742144322 FWROZDPEYOLNEA-GOSISDBHSA-N 417.494 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 749022047 HDZPKSRIHNTURR-GOSISDBHSA-N 411.455 1.853 30 10 HDEE N#CCN1CCC(CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749540155 KWYPJRWKHQSLNS-UHFFFAOYSA-N 404.272 1.390 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760400559 APNCWAOUGFWJNE-UHFFFAOYSA-N 424.523 1.407 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cc(C#N)ccc1OC(F)F 763874533 OWWSWAQFWSYJQS-UHFFFAOYSA-N 403.407 1.380 30 10 HDEE CON=Cc1ccc(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 767150634 XAOUFSKFPTYLRY-SFTDATJTSA-N 406.486 1.996 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCn2c(CCC)nc3ccccc32)CC1 769776005 BGKAOYRQTAVYLN-UHFFFAOYSA-N 409.534 1.663 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2nn(CC)c3ccccc23)c1=O 769885295 KEDWIPQCDIXFPB-UHFFFAOYSA-N 416.506 1.785 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 772920391 YSAZPJXDGYXLRV-FMKPAKJESA-N 422.507 1.208 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cc2)CC1 777314874 UPPXEOKIZXGVCS-UHFFFAOYSA-N 412.515 1.960 30 10 HDEE C#CCN(C(=O)c1cnn(Cc2ccc(OC)c(OC)c2)c1)[C@H]1CCS(=O)(=O)C1 777654905 WCABJYCMWDGBFW-KRWDZBQOSA-N 417.487 1.211 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(Oc3cnccn3)CC2)ccc1F 785345636 VWTORYQUTYNKKG-UHFFFAOYSA-N 420.466 1.764 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)Cc2scnc2C)cc1 787688161 ZKTKMADHTJSYIO-UHFFFAOYSA-N 407.517 1.652 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc(-c3ccccc3)nc2)n1 788695429 NDWOJVJRAAWBOI-UHFFFAOYSA-N 411.487 1.811 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)COc3ccc(Cl)cc32)n1 788814545 ZTDCYWLXXSPTDB-UHFFFAOYSA-N 416.865 1.570 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cn(C)nc1OC 789861960 IPFSITRLKYKCAD-CYBMUJFWSA-N 405.480 1.665 30 10 HDEE CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCc2ccc(C#N)c(F)c2)c1 791272839 BPDHOVOTWWDDFW-UHFFFAOYSA-N 421.450 1.709 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 792747697 MXYLRTNMBVYKNC-KQELZWPXSA-N 415.563 1.404 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)OC[C@@H]1CCN(S(C)(=O)=O)C1 801208817 OUVFTZCKXYFWTJ-OAHLLOKOSA-N 405.476 1.875 30 10 HDEE C#CCN(C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1C[C@H]1CCCO1 802696076 QFLNJYZLJLVCPQ-HXUWFJFHSA-N 422.533 1.485 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)C[C@H]21 814615032 HNOXHWJANAEUTO-JEWVTPJXSA-N 420.491 1.382 30 10 HDEE C#CCNC(=O)CCN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 815010155 UAXHWRCGPJILTD-UHFFFAOYSA-N 403.426 1.151 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CC[C@@](O)(C(F)(F)F)C1)NC(=O)OC(C)(C)C 883979721 UYKIKFYBWUYJPY-ZBEGNZNMSA-N 410.389 1.525 30 10 HDEE C#CC[C@@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)OC 1141995655 WEQFBCBYHHGFNR-QGZVFWFLSA-N 407.492 1.100 30 10 HDEE N#CCc1ccsc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1153447186 BWCHOFUVSXSLNO-UHFFFAOYSA-N 407.473 1.793 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1175935114 GOXWEEBHSUGNGA-ULQDDVLXSA-N 405.520 1.697 30 10 HDEE C#CC[C@@H](CCOC)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187207185 HAPSMYGFNVDRQT-HNNXBMFYSA-N 410.496 1.371 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1S(=O)(=O)c1cccc(Br)c1C#N 1194076197 IBLIJHNJFWMQKS-VWYCJHECSA-N 400.298 1.949 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1S(=O)(=O)c1cc(Br)ccc1C#N 1213519322 FNSGFRHJOSRZHF-OUAUKWLOSA-N 400.298 1.949 30 10 HDEE Cn1nccc1[C@@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCO1 1213873449 HADOZVBDANRMRJ-HNNXBMFYSA-N 411.281 1.816 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCc2nc(O)c3c(n2)CCOC3)CC1 1235546842 TYZYEFVLIBWATA-UHFFFAOYSA-N 408.462 1.548 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1286408758 LDAYNNKRRYQVQM-INIZCTEOSA-N 407.499 1.934 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1286436273 XZSKUVKNJYOXKG-OAHLLOKOSA-N 409.556 1.481 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCC)C1 1286495707 CRSFWBRRZKHAPU-CABCVRRESA-N 415.585 1.260 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1286592323 ZLGOMSOPKYBJKU-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1286612929 ZMLYVHCLJXWYIX-SFHVURJKSA-N 421.542 1.844 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286790168 OIHUFLMEYIYEKI-PBHICJAKSA-N 415.567 1.609 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)CC1 1286819501 MSNGXCKIGCUPRQ-UHFFFAOYSA-N 423.583 1.447 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccccc1 1288099454 BWLUGUPUNPXGGB-PMACEKPBSA-N 400.458 1.766 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1294851236 IXSFBYFXEJJPRP-IBGZPJMESA-N 417.445 1.364 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC([C@H](O)C(=O)OC)CC3)n[nH]2)c1C 1295337596 LFEIYWIKGSSPJP-SFHVURJKSA-N 401.467 1.462 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1 1298075650 LAODXUPODVVEJE-OXJNMPFZSA-N 416.499 1.351 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](C(N)=O)c3ccccn3)C2)C1 1298370416 BQLBVDXSNMDLEI-SWYKZNPTSA-N 413.478 1.511 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C[C@H]1O 1299412707 DABACAUVPUYGEB-GUDVDZBRSA-N 423.473 1.522 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300315467 YAYQHCVRUWXTFT-RDJZCZTQSA-N 422.455 1.985 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300654059 RWJCSZRFPITNIV-ROUUACIJSA-N 417.533 1.834 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2-n2ccnc2)CC1 1300716479 MHNMXWITCVSWKS-UHFFFAOYSA-N 403.490 1.786 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1301040956 IMYBYXONRBEYKM-RHSMWYFYSA-N 400.932 1.940 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1)C1CC1 1301314067 MEUQBNPFOFFEIP-UGSOOPFHSA-N 409.512 1.544 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N(C)C)C1CC1 1301331817 VYQXZXGLBLNZLR-UHFFFAOYSA-N 402.524 1.903 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1301554990 QUIYFRIJGBIOLA-HOTGVXAUSA-N 402.499 1.705 30 10 HDEE COCCn1cc(Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)cn1 1301852197 BEKWZGFUOHWHTK-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1 1302619214 ZATLBIIUVFDFAA-CYBMUJFWSA-N 405.455 1.663 30 10 HDEE C#CC1(F)CN(C(=O)c2cccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c2)C1 1303142008 KVNREIMHRPDWOM-UHFFFAOYSA-N 416.430 1.691 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1Cc1ccc(C#N)o1 1303828300 UFRUQGIFUFEHCD-NILFDRSVSA-N 404.496 1.493 30 10 HDEE N#C[C@]12CN(C(=O)c3nc(Br)sc3Cl)C[C@H]1CS(=O)(=O)C2 1304270747 IKSVIYLGFQVZMG-UPONEAKYSA-N 410.702 1.569 30 10 HDEE C#CCOCCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307844820 QTVFDNKUHHVVRR-QZTJIDSGSA-N 406.527 1.504 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)CC1 1310341539 BVPHLLSJZUWBFX-UHFFFAOYSA-N 419.551 1.540 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1cc(C(=O)OCC)ccc1I 1311113711 CPSVEOIVAZQMFU-SNVBAGLBSA-N 402.188 1.584 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)C)c1 1358902250 IPBSFYHUFPLAIW-INIZCTEOSA-N 420.521 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1 1358969331 NEUMIYRWAONDCB-OAHLLOKOSA-N 403.483 1.457 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ncccc2N(C)C)CC1 1359037391 HSEGDXRBXFYPGE-UHFFFAOYSA-N 416.533 1.528 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359298200 QRQINUWFCWGJMK-HRAATJIYSA-N 412.494 1.417 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1359396634 GYQCGYZROLPJCB-IBGZPJMESA-N 424.505 1.824 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1435884089 JNWUMRUCRBRAQJ-LJQANCHMSA-N 404.474 1.624 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1437999187 NKCWYVAFRPABAS-UHFFFAOYSA-N 414.474 1.864 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 1447564159 PSFCKPDASXRMBS-GFCCVEGCSA-N 410.517 1.914 30 10 HDEE COC(=O)C[C@]1(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCCOC1 1448031144 YDBNWUOGIZQFQM-OAQYLSRUSA-N 408.495 1.865 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449164097 LDKABBNBFLRYCE-QZTJIDSGSA-N 403.479 1.392 30 10 HDEE Cc1c(I)cc(Br)cc1C(=O)N[C@@H](C#N)CO 1449521501 SFHIKFRHTQWFQD-QMMMGPOBSA-N 409.021 1.976 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 1455705178 OHNGXKLDULIVPQ-IRXDYDNUSA-N 409.577 1.671 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1nc(C#N)cs1 1456479553 OSLXVJCQMKSHFV-MWKLQFHZSA-N 412.393 1.617 30 10 HDEE Cc1nc(=NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)n(-c2ccc(C#N)cc2)[nH]1 1457647986 CPVLZTUBXFBMKD-UHFFFAOYSA-N 415.413 1.173 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)n1 1460048702 RQNSHKRSRXZRRJ-GHTZIAJQSA-N 406.527 1.725 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1460861503 RNKLYCDHILYBMS-XLIONFOSSA-N 406.490 1.459 30 10 HDEE C=CCOCCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1461629904 ICVVDYAOOZPHFQ-UHFFFAOYSA-N 405.314 1.779 30 10 HDEE CC(C)Cn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2c1=O 1463164596 UJPMJJLEHIFGQU-VBKZILBWSA-N 414.487 1.063 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(C(C)(C)C)c(F)c2)CC1 1463169681 YMVUNQPINORAJU-UHFFFAOYSA-N 409.527 1.569 30 10 HDEE N#Cc1ccccc1OCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1463457536 YCKSXJRCPNBGLY-CZUORRHYSA-N 402.394 1.905 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1465606379 XFMNSKGPZZXOBH-UHFFFAOYSA-N 401.444 1.876 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3nc(C(=O)OCC)cs3)CC2)C1 1471338162 WJKFNVNPOGBDRU-HNNXBMFYSA-N 405.524 1.249 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)C1 1471832994 NCZKFPCKTPNYID-SFHVURJKSA-N 419.547 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191887 MUNZMUWPSSMARM-QMTMVMCOSA-N 411.524 1.563 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c(=O)nc1O 1475508738 DWYGIYZFFAZVBT-UHFFFAOYSA-N 422.772 1.471 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1493171622 WNYMEMMCJBRLPM-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503553867 UDANYFRPKDNTPT-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1503727624 OTZAUMFYHLHSRP-FCHUYYIVSA-N 421.505 1.257 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1504853553 FJMBJPDZDSUAHA-UHFFFAOYSA-N 411.510 1.097 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1504964340 HMBZYUVOZRKASN-LIRRHRJNSA-N 410.494 1.749 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1504972214 FKSBQJVCLQIBPI-ZIAGYGMSSA-N 402.455 1.217 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1507562535 LDPVOMBQUDQCAG-KRWDZBQOSA-N 420.477 1.724 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507629749 PEFPELRNJHAYND-SJORKVTESA-N 402.520 1.915 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1507631147 BOYDXILPCIPYRF-IAGOWNOFSA-N 418.519 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)CN2CCCC2)CC1 1507739889 LOVMUJOXHNHTGX-GOSISDBHSA-N 412.582 1.928 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507755446 FLIGYMSXDUXBID-SFHVURJKSA-N 414.579 1.787 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CC)C1 1507954419 NIXBMVRJEACZJT-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508081415 ZADNWUQFQLPQEP-UHFFFAOYSA-N 414.514 1.206 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1508087697 PFVBUSCMHWGKBK-SOUVJXGZSA-N 404.515 1.171 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)CN(C)C1=O 1509001242 JRRYGLYKRCLLGH-QVKFZJNVSA-N 423.525 1.257 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3nc4n(c3=O)CCCC4)CC2)c(Cl)c1 1519767789 HOLMMICBZNZRSQ-UHFFFAOYSA-N 400.870 1.255 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1531947055 QYHJDFOFIILJQS-UHFFFAOYSA-N 421.479 1.136 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1533420581 XOGUOQGEOIBIFS-QGZVFWFLSA-N 401.463 1.393 30 10 HDEE CCOC(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1538765651 MHLLXAUHOWDLMG-APPDUMDISA-N 411.867 1.919 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NCCC 1538991865 FYMKAWLDDCPFLJ-OAHLLOKOSA-N 407.482 1.295 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N(C)CC 1539241983 LLKCHPWIARKAHT-UHFFFAOYSA-N 401.474 1.886 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1539377817 MXGCDSNLDIMHJB-UHFFFAOYSA-N 423.502 1.271 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)N(C)CC)CC1 1539484482 QLJOXKZZBZFALW-UHFFFAOYSA-N 414.554 1.455 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1539495958 CGZWPKKZLCZNFB-BXWFABGCSA-N 406.508 1.844 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539517042 HFLVYDKCZFPGQF-KURKYZTESA-N 406.552 1.923 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539698119 JGYFWUUTFONIED-UHFFFAOYSA-N 424.553 1.836 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539802875 BEKIUZJEGOJOJF-MRXNPFEDSA-N 416.913 1.960 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OC)C1 1540028442 NTVJFDRJNGAQHG-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(O)CC1 1540128129 JDLGNNKFIQYZTI-UHFFFAOYSA-N 406.490 1.990 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1540197983 AZNZRLKADAWNHH-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1540403272 SYIZKYPYSYBDTC-QGZVFWFLSA-N 401.385 1.605 30 10 HDEE CC(C)(C)[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1541167597 IXMHFIPTXHZNPD-NCJSADBTSA-N 414.510 1.933 30 10 HDEE CC(C)CN(CCC#N)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1542370993 MNXIXRLMORCFCK-UHFFFAOYSA-N 409.508 1.915 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1543922369 DTFKCPFHUWCFGM-UAOJZALGSA-N 413.457 1.918 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c(C#N)c2N)cc1 1545163900 SHFJPPYYHSTNRT-CABCVRRESA-N 417.535 1.753 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1546884522 KTLGNDUHMUWOAM-RMYFCYLKSA-N 412.498 1.830 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1546884524 KTLGNDUHMUWOAM-UFOSLELVSA-N 412.498 1.830 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1554586069 AFDPJWSNYGQNIA-NFAWXSAZSA-N 404.496 1.723 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC[C@H]1C 1555171742 KTSVEJMMPZSVDI-PBHICJAKSA-N 418.523 1.227 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)CCO1 1555994084 UJGZLWMEVRZGQS-RBUKOAKNSA-N 424.505 1.607 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CO)CN3CCCC3)C2)C1 1556855389 ZXOSYNLZTMAVPH-CXIVCQEWSA-N 406.527 1.346 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1557479314 OJXUTJKESTYSJI-WUKNDPDISA-N 422.363 1.946 30 10 HDEE CCS(=O)(=O)NCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633528 COPNOPZAHVQQQL-KNVOCYPGSA-N 418.306 1.555 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)c(O)nc1=O 1560056440 ITEJBCJCXBPTCJ-OAQYLSRUSA-N 410.478 1.322 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2C(F)(F)F)CC1 1562325058 NMFFEIZQDBHYHL-UHFFFAOYSA-N 408.377 1.462 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1564964858 OVBUNKXVMJTOAD-SJORKVTESA-N 415.471 1.468 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1565362442 QNLOWXYVTWVQIQ-UHFFFAOYSA-N 409.508 1.093 30 10 HDEE Cn1c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnc1C1CC1 1567054738 BHOSGGUTOVZEAP-OAHLLOKOSA-N 407.434 1.086 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)cc1 1584853913 USPYBCWFACMICF-MJGOQNOKSA-N 400.504 1.473 30 10 HDEE C#CC[C@H]1CCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1585656132 KDSCRNMBSMJWRJ-KRWDZBQOSA-N 414.531 1.941 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1587793749 SFEXSRYVEKEVQN-NHCUHLMSSA-N 401.511 1.450 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1587837422 CWVOGYFVLVBLNU-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1588613181 URDBRZAFMUGOPL-MRXNPFEDSA-N 418.519 1.474 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCC3(C2)OCCO3)n1 1588724024 SRLIAXJBXOTXTE-GOSISDBHSA-N 414.510 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cnnn2C)CC1 1588908319 OSDXWLDBHLFLJQ-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1 1589482244 ICPONUXHZSQDDD-IAGOWNOFSA-N 401.515 1.767 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1593703657 LUYAYJSNVZMSEE-UHFFFAOYSA-N 418.586 1.950 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1593747420 VWKNHKKXHVPPCQ-QGZVFWFLSA-N 407.515 1.060 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1594485102 ZJHQVACCPCLNMU-UHFFFAOYSA-N 407.544 1.363 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594692884 JSPRJMZFSJHIBA-HNNXBMFYSA-N 417.535 1.982 30 10 HDEE C=CCCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1594720225 FZDDHKBXTXULBP-KRWDZBQOSA-N 409.556 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cncn2)C1 1595738958 WFMQNGMUSZEIIU-GOSISDBHSA-N 409.494 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CC(=O)NC(C)(C)C 1595784954 OSNYOUHLFXFFJZ-UHFFFAOYSA-N 422.555 1.235 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CCO1 1596642570 YMVNUYXVZPKUPV-PMACEKPBSA-N 422.489 1.503 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1597054143 ZFUYERHPFHVIGG-CYBMUJFWSA-N 408.384 1.220 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)N(C)C 1611600552 ALKFTMROAUGAFN-MRXNPFEDSA-N 423.521 1.490 30 10 HDEE CCCN1CCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1614864692 HDGGUMSZTTUVQW-ROUUACIJSA-N 415.542 1.394 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1616901818 LCVXMBUPBXEZJE-IBGZPJMESA-N 401.492 1.915 30 10 HDEE N#CC1(CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCCC1 1617977344 MFERNSXOQYYSFE-UHFFFAOYSA-N 404.492 1.011 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618729813 CZNAUOUKRYFFBR-SJORKVTESA-N 416.478 1.051 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1620346436 AWXFQXUAEDGCQL-CXAGYDPISA-N 405.459 1.002 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCn3c(nnc3-c3cn(C)cn3)C2)CC1 1620507362 JGXDVSZVBBBNTB-TZQQIIETSA-N 410.526 1.814 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 1622241875 XFIGNSGBENIIRE-NRFANRHFSA-N 413.499 1.420 30 10 HDEE C#CCN(CC(=O)N1CCN(c2cccc(OCC)n2)CC1)C(=O)OC(C)(C)C 1628485009 KSKWSXZSPOZRME-UHFFFAOYSA-N 402.495 1.999 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 1630585967 ZXGNRXGUWGURPZ-KFWWJZLASA-N 401.529 1.127 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1631719883 OAZYTKWPFRAGFU-CQSZACIVSA-N 415.968 1.722 30 10 HDEE C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O 1632873124 AOOGCOMWVUUVBQ-HNWGMOHISA-N 402.476 1.133 30 10 HDEE COc1cc2c(cc1CNC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)O[C@H](C)C2 1633364520 RZRQLXBIELPUDT-XFHNUULXSA-N 405.476 1.098 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1636377429 DMGCXFNGCPNRCB-QGZVFWFLSA-N 419.503 1.371 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)CC)CC2)c1 1637700411 XLOSPAMQCLAKSA-UHFFFAOYSA-N 412.533 1.028 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc2ccccc2nc1O 1637807096 CFOMZXFHZBFIEH-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE C#CC[C@@H](NC(=O)CCn1c(S)nnc1-c1ccc(OCC)cc1)C(=O)OC 1638831728 CWUHJEIKPBCJIJ-OAHLLOKOSA-N 402.476 1.704 30 10 HDEE Cc1ccc(C)n1-c1nc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cs1 1640637081 SNMJWNVLKQMWQL-UHFFFAOYSA-N 410.459 1.311 30 10 HDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nccn1C 1641566563 DXBVADRRLVBWSC-CQSZACIVSA-N 403.508 1.896 30 10 HDEE C[C@H]1CN(CCO)CCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1642573905 FFYHSUSKDGICJP-HNNXBMFYSA-N 413.478 1.548 30 10 HDEE Cn1cnnc1N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1644145584 IZKPOMPKBPXUMG-UHFFFAOYSA-N 402.499 1.114 30 10 HDEE N#CCc1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 1644420685 WPQDQUGZCTVPDU-UHFFFAOYSA-N 416.459 1.616 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2nc3c(s2)C(C)(C)CC(C)(C)C3)CC1 1645163219 LHADKVFVOCMNPJ-UHFFFAOYSA-N 410.609 1.978 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1648260400 CSTUXQPDDXRUOZ-UHFFFAOYSA-N 404.532 1.684 30 10 HDEE COc1cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)sc1S(N)(=O)=O 1648719725 WAUCUJCTLKHYHS-KRWDZBQOSA-N 406.489 1.497 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC3(C(=O)OC(C)(C)C)CCC3)CC2)c1C#N 1649427424 SXQHRXUFWGLPAB-UHFFFAOYSA-N 416.526 1.944 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)CC1 1650846370 UGXQPYZZBLYJAD-UHFFFAOYSA-N 408.480 1.118 30 10 HDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NC(C)(C)c3cccc(C#N)c3)ccc21 1651143140 DGLHOXQHHJXJPU-UHFFFAOYSA-N 420.473 1.914 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1=O 1655136276 AOMAXCJUXRLHOH-CQSZACIVSA-N 401.872 1.926 30 10 HDEE N#C[C@H]1C(CN(CCC(F)(F)F)C[C@H](O)CO)=CC(=O)n2c1nc1ccccc12 1657732384 DEJNEFFYOPJXBI-KBPBESRZSA-N 408.380 1.831 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)CCCC)cc2)CC1 1668419952 LWFBDAUTGJQPTJ-UHFFFAOYSA-N 407.540 1.540 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)CC1 1668807361 FSYVCIAFVDSZAJ-UHFFFAOYSA-N 416.858 1.416 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)nn1 1669870402 XKTYSLPZZKAIFG-UHFFFAOYSA-N 415.269 1.492 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1670589489 WRLZDRINLLCMQK-UHFFFAOYSA-N 400.522 1.132 30 10 HDEE COCn1nc(C)c(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)c1C 1670758866 DFGMNDXWRRXHLA-UHFFFAOYSA-N 403.508 1.923 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1671150090 ACTMOPPIGUOQOE-VIFPVBQESA-N 405.270 1.385 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1CCN(c2ccncc2)CC1 1677644449 BMXQZAASMJVASZ-UHFFFAOYSA-N 415.538 1.580 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1684426472 YEPQDXBMWNZJFH-GOSISDBHSA-N 421.519 1.334 30 10 HDEE C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CN(C)CCN1C 1684806017 XHBSJLSDXTTZPT-UZLBHIALSA-N 424.553 1.192 30 10 HDEE COCCC[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686355640 DZSBQLGCOGBJEZ-NSHGMRRFSA-N 405.520 1.604 30 10 HDEE Cc1ccc(Br)c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1686822204 UOHUYNGUTUPFFZ-XJKSGUPXSA-N 412.309 1.837 30 10 HDEE COc1ncc(Br)cc1CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N 1687082997 WQKLEKTUVAJYAP-UHFFFAOYSA-N 422.287 1.804 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1689924446 HMCPCQJTUAYDAM-QGZVFWFLSA-N 421.509 1.490 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccnc(-n2cccn2)c1 1689947689 KCEMCDRWNSUFAP-OAQYLSRUSA-N 407.478 1.629 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1 1690093759 JDROPXQKVFQDAR-HXUWFJFHSA-N 402.499 1.187 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1ccnn1 1690098921 WYXVZBVJJNQSOU-UHFFFAOYSA-N 423.477 1.484 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(OC)C1CC1 1690103631 FFPJYAHRKZSIMW-DNVCBOLYSA-N 410.540 1.081 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccn(CC)c1=O 1690105092 SMZLYCJAVHDYIA-UHFFFAOYSA-N 406.490 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)C(C)C)CC1 1690137449 ZCFIPGYLEQMESD-MRXNPFEDSA-N 402.543 1.530 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCCOC)CC1 1690150467 IVGSEZMUZPOPJA-UHFFFAOYSA-N 416.551 1.636 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690245697 LVCBSJBMHMUAQW-VXNCWWDNSA-N 416.526 1.315 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690309900 NECYAUFKLIWJGA-ROUUACIJSA-N 418.542 1.123 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1690995722 MOCIGCKVODCCHA-OXQOHEQNSA-N 420.514 1.757 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1691001424 IKMLRNLTVRDPEO-DICRZQGBSA-N 402.499 1.553 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1691204207 DFMVULCEDWMGBM-KRWDZBQOSA-N 417.477 1.940 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1696573804 DPNYNSSLPKNHNG-INIZCTEOSA-N 409.494 1.717 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1698316361 WAOSIRQSNVUXLJ-AWEZNQCLSA-N 418.523 1.824 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC=C 1705547383 FQOAIIPZGZVTOH-UHFFFAOYSA-N 404.492 1.633 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1705565706 JKJRYQBZBAUJJS-MRXNPFEDSA-N 417.535 1.717 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705695486 XLYSVTPHGRFJTG-LDBYXDLTSA-N 416.526 1.256 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1705717358 ILZGNLVYNGUOPT-KIJUOZEOSA-N 400.483 1.711 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1705752909 KQDFMBPSOOIRIK-GFCCVEGCSA-N 406.874 1.721 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOCC)CC1 1705761788 AHJBFNGXXXOOIC-IRXDYDNUSA-N 413.950 1.913 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1705823894 ZBAGADRBLKECLO-INIZCTEOSA-N 411.514 1.934 30 10 HDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1705830629 UHVQMXONNNALSG-INIZCTEOSA-N 413.544 1.192 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1705884354 MLMDTJFWHBVIED-MRXNPFEDSA-N 405.524 1.571 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1705903080 PLEZJGCVZPABPW-KRWDZBQOSA-N 419.526 1.944 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1706058462 BWHYTIBXWRVLSX-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE CN(C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1710966351 AJPJAHJQLQCTRJ-FOIQADDNSA-N 417.489 1.462 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1722361418 MZYCTMGOLFXARV-HNNXBMFYSA-N 412.475 1.312 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCS2)CC1 1722433451 VTWRDDHKJCBGQI-RXVVDRJESA-N 419.595 1.971 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1 1722499374 AYHREWWDNSLLNS-KBXCAEBGSA-N 411.528 1.791 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1722529460 TZJKNYCWXNQMAO-MAUKXSAKSA-N 415.560 1.486 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722533656 CBURZUPZBSHPHC-ZWKOTPCHSA-N 402.499 1.656 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1722622415 MTGRFRMUCAGXRL-WOYTXXSLSA-N 409.556 1.716 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722625115 NYKTZFMJGALAIF-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br 1722679724 KBWRNAUNXYSUOX-JTQLQIEISA-N 408.247 1.856 30 10 HDEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1722706537 VFXJSAJBNQNQKQ-IBGZPJMESA-N 422.489 1.838 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722712000 KNGLEJCQJMHRCX-MSOLQXFVSA-N 411.510 1.775 30 10 HDEE CCc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1727600575 HNEKMEZCKLQIAA-FQEVSTJZSA-N 419.489 1.702 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1727615068 ZWWZVRSGEJDEPT-VQTJNVASSA-N 410.522 1.574 30 10 HDEE CCNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c1 1728661764 BNTMSHRGQPZSTK-MRXNPFEDSA-N 423.521 1.794 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC1(O)CCOCC1 1730845837 XMLOGHTVEFIRSX-MAUKXSAKSA-N 411.478 1.376 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1730890253 GXRFMGFSBGPQPI-GOSISDBHSA-N 412.494 1.537 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740590614 IKERYIFOIZNJKA-IAGOWNOFSA-N 406.552 1.725 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCn1cc(Br)cn1 1740685097 JAZSBWGFTKNSBZ-CQSZACIVSA-N 423.315 1.527 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](C)N(C)C)CC1 1740692199 HQFSYNDHIBGGKM-QGZVFWFLSA-N 412.538 1.668 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nncn2CC)CC1 1740697013 ODBUBYAWAQLCLJ-UHFFFAOYSA-N 424.940 1.937 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCOCC2(CCC2)C1 1740719237 BYZOROQICHVUDA-UHFFFAOYSA-N 403.552 1.774 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740802061 IFQXEZPBMBYWRJ-MELADBBJSA-N 402.952 1.314 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1740862553 XLWXFSQWEROKCD-MRXNPFEDSA-N 404.515 1.317 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1740895185 UIZZCRDXISYYQU-UHFFFAOYSA-N 410.482 1.473 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCO[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964636 FXTFXDPTMZHTPM-OXJNMPFZSA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966377 YBDLKQWEXNSNEZ-HNAYVOBHSA-N 409.556 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@H]1CCCOC1 1740991357 UWMIRXXKYTWFAL-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N(C)C)CCOCC1 1744009155 HOHODCNBNMUBEI-INIZCTEOSA-N 419.574 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1748640445 VDOHCXJTUFNDET-JKSUJKDBSA-N 411.572 1.943 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748801501 BEFQHHHUKPKUCS-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1749132134 YWWWYKFKKHTFGO-PXNSSMCTSA-N 405.543 1.753 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCCN2CC)CC1 1749286731 QBFZPGQXQUGUBZ-IRXDYDNUSA-N 410.588 1.919 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750386024 FYPMBCKRZPUATO-LSDHHAIUSA-N 414.432 1.537 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@@H]1OC 1760196829 MGZIPFZTGIISRU-HKUYNNGSSA-N 409.446 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)N2CCOCC2)CC1 1760266208 SFFWOEKDQHDSNJ-QZTJIDSGSA-N 416.570 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)CCC)CC1 1760273234 MESJXTFXYJJXHA-LJQANCHMSA-N 416.570 1.827 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccn1 1760288569 GMVOJRIQEQASNO-DNVCBOLYSA-N 402.524 1.518 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1760465162 YFJYLYRZGQEGII-JKSUJKDBSA-N 419.555 1.205 30 10 HDEE CCCN(CC)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1764308670 WVICRJVACXKWSO-HNNXBMFYSA-N 415.498 1.466 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766376397 VYWSUZWEKSJUPP-UHFFFAOYSA-N 420.477 1.297 30 10 HDEE CO[C@](C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C1CC1 1767991198 AUWMLQKQACCPRF-MORSLUCNSA-N 411.503 1.437 30 10 HDEE Cn1cccc1-c1nnc(N2CCCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1769041193 UZXXILXTRZZBSI-ZPHPHTNESA-N 411.466 1.037 30 10 HDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1770733940 FOIWJDAZZVFWRM-INIZCTEOSA-N 412.494 1.394 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@@H]2CCCO2)CCO1 1770751644 JAKVFJIIHXEFCU-OALUTQOASA-N 412.494 1.578 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(N2CCCCS2(=O)=O)c1 1772789178 AHAFUYVJFFAPLT-UHFFFAOYSA-N 400.412 1.985 30 10 HDEE C[C@@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)n1nc(C2CC2)ccc1=O 1848620647 UEGIINYKGWEHNT-HNNXBMFYSA-N 411.506 1.682 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)c1 1848682560 VZYUFULPWILXCO-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE C#CCCN(C)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850396000 CCZJYLUMLWKDFP-UHFFFAOYSA-N 409.402 1.274 30 10 HDEE CCOc1cc(C(=O)NCC#CCN2CCOCC2)nc2cc(OC)c(OC)cc12 1850691084 IOPVYMDFLZVXDP-UHFFFAOYSA-N 413.474 1.716 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)cc1 1850692826 BLWCUBARFHITFT-HNNXBMFYSA-N 401.426 1.919 30 10 HDEE O=C(NCC#Cc1cccnc1)c1ccc(N2CCC(N3CCOCC3)CC2)nc1 1850834087 MUBNXKUOHWZEHS-UHFFFAOYSA-N 405.502 1.559 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c2ccccc21 1852158092 WIWIPCRGWICSJS-UHFFFAOYSA-N 418.397 1.601 30 10 HDEE COc1cc(Br)c2c(c1)N(CCn1cc(C#N)c(O)nc1=O)CCO2 1852385827 OURGXDDSZBIQRP-UHFFFAOYSA-N 407.224 1.491 30 10 HDEE O=C(c1ccc(-n2cncn2)nc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852435703 GLBNYIGBSULCLD-UHFFFAOYSA-N 402.358 1.537 30 10 HDEE N#C[C@@H]1CN(CCCS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 1852444622 UKSDJVYBAVAWAH-HXUWFJFHSA-N 406.552 1.185 30 10 HDEE CC(C)[C@H](C(=O)N1CCC(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852735638 UBIBEZGNQIVPDB-LJQANCHMSA-N 404.536 1.414 30 10 HDEE COc1ccc(Cn2c(C3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)nn(C)c2=O)cc1 1852947090 GFYXDNPJSWXJCV-UHFFFAOYSA-N 420.473 1.858 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@H]4CCCOC4)C3=O)CC2)CC1 1853675756 PPSJPMDQFBOVKT-RBUKOAKNSA-N 416.522 1.015 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)C2CC3(CC(=O)C3)C2)C1=O 1854224792 NJBPIWPVCLPSSY-MSOLQXFVSA-N 401.507 1.372 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CC(F)(F)C4)C(=O)C3)C2)cc1 1854239587 VDQVLDRVMYQMDW-GOSISDBHSA-N 402.445 1.849 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)[C@H]2CC=CCC2)C1=O 1854881767 WEXDVJPTLOKWLW-LPHOPBHVSA-N 408.506 1.733 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)C(=O)O2)CC1 1856596888 KDUXVLPFZSGPJO-KGLIPLIRSA-N 419.450 1.725 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cnc3ccc(C)cn23)C1=O)[C@@H]1CCN(C)C1=O 1856755818 GJWKDWPTVRXZTD-DLBZAZTESA-N 409.490 1.493 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)[C@@H]4COCCO4)C3)CC2)s1 1856901937 JNZWMKKNVFURSD-YJBOKZPZSA-N 403.504 1.622 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@H]1CCN(C)C1=O 1857068442 NWZADPDVOYFHPB-SJORKVTESA-N 416.522 1.971 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3noc4c3CCCC4)C2=O)C1 1857119913 KJYMDXAGRVNUDV-INIZCTEOSA-N 407.430 1.324 30 10 HDEE Cc1cnc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)cn1 1857465195 LMFLFNUKFZJGEU-HNNXBMFYSA-N 406.446 1.194 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 1872637568 OEUOZQQJUBBVCK-UHFFFAOYSA-N 401.379 1.738 30 10 HDEE CCc1nc([C@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)sc1C(=O)OC 1872795857 APDCNOHCROHRIP-CYBMUJFWSA-N 414.491 1.281 30 10 HDEE CCCCCCCCCCN1C[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)CC1=O 1872993507 QKEYPWHMGMQOFO-QZTJIDSGSA-N 423.554 1.866 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc2cc(Br)ccc2oc1=O 1890513630 ACCUAYOBQYJVRQ-UHFFFAOYSA-N 405.248 1.621 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 1917107480 UNNDNWBLYRMIDE-UHFFFAOYSA-N 410.087 1.162 30 10 HDEE C#CCN(C(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1968919651 DYVGNXZZPNXUHD-LBPRGKRZSA-N 412.430 1.435 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985102196 CVJNMFPMZOQLPW-CABCVRRESA-N 410.320 1.907 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2012309167 IRXZBUUCTDBJJZ-NKRRBHNESA-N 422.331 1.955 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 2118169361 XDTQHYRCCKKSRX-GFCCVEGCSA-N 401.510 1.924 30 10 HDEE N#C[C@H]1CN(c2snc(N)c2S(=O)(=O)C2CC2)CCN1Cc1ccccc1 2186561773 JMKAGFPAXMXKQE-AWEZNQCLSA-N 403.533 1.876 30 10 HDEE COCCNS(=O)(=O)N(C)[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2186588930 ARLVPYSUNIWVCJ-LBPRGKRZSA-N 404.363 1.521 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N(CC#N)CCC(F)(F)F)C1CS(=O)(=O)C1 2197503320 GUKWLSXCMIWNEX-LLVKDONJSA-N 413.418 1.229 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2243406506 ZYPPMVPPLZYWJD-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(N)=O)C1 2247657501 BISUIWWTEBFHIF-UHFFFAOYSA-N 419.287 1.234 30 10 HDEE CON(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2247918316 JBHMOAZHKKEZMB-UHFFFAOYSA-N 422.291 1.304 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248054133 HEXWTHXAJRYWOK-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CCO4)C3)cc2Cl)OC1(C)C 2267702535 IEZUWEHEJNEYOA-UHFFFAOYSA-N 405.734 1.864 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270524947 PJAAGTMLJKDRRR-QGZVFWFLSA-N 417.443 1.357 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)N1CCCC1 2282329880 SJMQYCSEANLJMU-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)COCCO2)OC1(C)C 2282331022 IPAURPDQGJRYRD-INIZCTEOSA-N 403.331 1.131 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345242 ZBJOQYOIONZJSS-DOMZBBRYSA-N 401.359 1.377 30 10 HDEE CN[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282488464 BEZYOVXPCVYUSH-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(F)(CO)CC2)OC1(C)C 2282497900 WLHPRXXKSLBFKK-UHFFFAOYSA-N 405.322 1.532 30 10 HDEE CS[C@H]1CCN(S(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282501419 WXCBEURTTKPLMG-LBPRGKRZSA-N 401.363 1.154 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2282501678 ADMSHINHDMAWSC-GFCCVEGCSA-N 403.331 1.576 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837053 AWFMFKAXLFRZRN-LBPRGKRZSA-N 402.347 1.046 30 10 HDEE CCC(CC)(CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842547 ZWXCGHDOBXOKDU-UHFFFAOYSA-N 403.379 1.379 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282854169 OGHVZXZBGVRXKC-AAEUAGOBSA-N 400.375 1.699 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCC[C@H]2CO)OC1(C)C 2282857641 KVRPFXIBXWWVHK-OLZOCXBDSA-N 401.359 1.734 30 10 HDEE CC(C)(C)N(CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415989 SHEFOHNFSNSTHP-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CN(CC1COC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2285339848 WOYWUNLSBQIVDB-UHFFFAOYSA-N 401.721 1.906 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](CCO)COCc3ccccc3)[nH]n2)OC1(C)C 2303621930 GYLKHOMBXHORON-MRXNPFEDSA-N 415.299 1.407 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC[C@H](S(C)(=O)=O)C1 2361671419 WDLSXDQDUGLXQC-STQMWFEESA-N 400.375 1.840 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N3CCCC4(C3)OCCO4)cc2F)OC1(C)C 2364906139 UEZVRRKUAKEORK-UHFFFAOYSA-N 407.247 1.810 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2365198678 HZWBJVSDLLVFRC-HRCADAONSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365208487 SGSLCKYBXUSUDA-VGWMRTNUSA-N 400.541 1.555 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2365209395 VLAUNFSHVOPLIZ-GJZGRUSLSA-N 404.573 1.845 30 10 HDEE COCC[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367784204 NZYDMNXBDITJMC-QAPCUYQASA-N 400.541 1.558 30 10 HDEE CC(C)[C@](C#CC1(S(C)(=O)=O)CC1)(CNC(=O)OC(C)(C)C)OCC(=O)O 2367784586 BCKRFNPZAUEEPW-SFHVURJKSA-N 403.497 1.588 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367785788 FQFWRYGHGMLJHF-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788783 QJLUAXREXMNDST-ZIAGYGMSSA-N 403.497 1.730 30 10 HDEE C[C@@H]1CC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CN1C(=O)OC(C)(C)C 2367820893 SDCWLIFPBUZCME-CLCXKQKWSA-N 400.541 1.435 30 10 HDEE CCn1ncc(I)c1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2382020372 MWKLYQINKIYEBD-VIFPVBQESA-N 409.253 1.400 30 10 HDEE C[C@@H](OC(=O)CCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 26505308 GUTCOYQTZNHLJL-SNVBAGLBSA-N 418.475 1.699 30 10 HDEE COc1cc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCNC(C)=O)ccc1O 103114490 SDSQVMOJDYZDBZ-HQMFNGAOSA-N 410.426 1.959 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1 238843512 HZPXPTBQLYVBRO-CRAIPNDOSA-N 421.457 1.780 30 10 HDEE COc1ccc(CN2C(=NC(=O)CC#N)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254592886 KSSVIMBTFJSSEH-SWLSCSKDSA-N 409.489 1.214 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 409566766 CSWJRBMUMCYMNZ-QGZVFWFLSA-N 406.552 1.926 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440385920 YJVOVBSOJIUYNU-UHFFFAOYSA-N 418.478 1.701 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 443339481 CPITXKZVLFMEIU-UHFFFAOYSA-N 406.382 1.656 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1 466101766 JILAKDZFTXNGQS-UHFFFAOYSA-N 400.464 1.849 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 487518072 LAIOSWCKXVTYRJ-CJNGLKHVSA-N 412.450 1.591 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 501987533 KLFJDTGOSWUANJ-UHFFFAOYSA-N 403.485 1.324 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(F)ccc2I)CC1 503643344 OYPPBLCQBGAJCU-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 508498900 WDEPERFCLSATJE-CHWSQXEVSA-N 423.461 1.576 30 10 HDEE C=CCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 508918944 GPAAGFVSYUTMGF-UHFFFAOYSA-N 418.479 1.761 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)CC1 546047562 RPYIGYLRXYEVFV-RBUKOAKNSA-N 404.486 1.675 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)NCCC1CCS(=O)(=O)CC1 561540804 PMFPQIYYXIITQS-UHFFFAOYSA-N 421.338 1.814 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(OC)c(C(=O)N(C)C)c2)ccc1C#N 568332787 RGNANDCNSONKNM-UHFFFAOYSA-N 403.460 1.756 30 10 HDEE COc1cc(F)c(F)cc1NC(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 572707127 AYHGLMAGUUQIEO-LBPRGKRZSA-N 402.357 1.858 30 10 HDEE COc1cc(-n2cnnn2)ccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2 586268315 KCZBRKIZHSCDBS-UHFFFAOYSA-N 424.442 1.888 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)[C@H](C)C(=O)OCCOC)cc21 586315660 YDJONWXUXNSNMT-QYSRSOONSA-N 409.460 1.108 30 10 HDEE N#Cc1c(CCCNC(=O)NC2COCCOC2)nn(-c2ccc(F)cc2)c1N 589940141 USDNIVWGTJPPJW-UHFFFAOYSA-N 402.430 1.112 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CC3)CC2)cc1[N+](=O)[O-] 590130262 NQQJHUJZJGBBLV-UHFFFAOYSA-N 408.436 1.130 30 10 HDEE NCC#Cc1cccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703978729 DQOKVVNBFRHGQD-UHFFFAOYSA-N 411.483 1.103 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 717731837 AFPQPHIMPGGIEJ-QMMMGPOBSA-N 412.103 1.456 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 731877830 UXPUUHOTTWANHJ-HNNXBMFYSA-N 410.386 1.529 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 732152710 GXQSPGWWSPDEMM-GWOGKKTRSA-N 414.462 1.895 30 10 HDEE C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCOCC2)cc1 732455003 ABAMOJUKZMCRJQ-MVZUJROASA-N 413.478 1.410 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CCN1C1CC1 732700367 RFQQYYJDZAABER-ZWKOTPCHSA-N 418.519 1.843 30 10 HDEE CN(C)CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 735195625 SQXGKDQRFAOKLJ-MRXNPFEDSA-N 419.913 1.418 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)C1CC1 737200187 YWIMRDBNMAAJDG-FQEVSTJZSA-N 409.490 1.335 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 739537247 VZOXFHZMNRLGNQ-YQQQUEKLSA-N 410.470 1.101 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)c1 748572487 HBSIRHFMVQYEPB-WBOBJJNYSA-N 414.462 1.315 30 10 HDEE C[C@@H](CC(=O)NC1CCC(CN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 749936195 VSRWFEITJXPRNR-FHERZECASA-N 406.552 1.740 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCNc1ccccc1F 753246202 AZEDBLVOYADNTG-UHFFFAOYSA-N 404.467 1.873 30 10 HDEE Cc1ccc(Cn2cccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2=O)cc1 754464200 CXYNWXMUAIXDLG-VXPUYCOJSA-N 421.457 1.853 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3ccn(C)n3)nnc12 754734241 DWWIJKBKOKXQCB-UHFFFAOYSA-N 410.459 1.799 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(Cc4ccon4)c3=O)cc2s1 755046988 DBXUVDUXTAYAPK-UHFFFAOYSA-N 405.464 1.891 30 10 HDEE CC(C)CN(C(=O)COC(=O)c1c(F)cc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 756588581 GIZYHHXWWUEILX-ZDUSSCGKSA-N 414.430 1.665 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no2)c1 756884344 VNOBDDBBOKCFSH-BBRMVZONSA-N 400.439 1.717 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 760792306 KLNRGLODEBYWIQ-UHFFFAOYSA-N 417.466 1.305 30 10 HDEE CNC(=O)[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)C 772420847 MMZAYNCJQIYBLE-PZBNQXIHSA-N 409.512 1.392 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774261907 DFVLLHCSVIQPHM-RDJZCZTQSA-N 408.520 1.714 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 775234140 SYDZTMQBQHHPRI-BZUAXINKSA-N 413.540 1.606 30 10 HDEE CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)CC1 780213867 IZZGAEYQBXVRGH-QFIPXVFZSA-N 422.485 1.915 30 10 HDEE CC(=O)[C@H](C)CCCCC(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 783219373 GFUVMOIUOUWTMH-CQSZACIVSA-N 404.467 1.832 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2nnc(-c3ccc(F)cc3)o2)C1=O 783354486 JGQFMFRRPUMQBK-SNVBAGLBSA-N 402.338 1.457 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(Cc3ccccc3)c2Cl)CC1 794878789 UAJSNSWNEQMPFC-UHFFFAOYSA-N 401.898 1.645 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 799078934 LYPZOJIFSYPUCN-FQEVSTJZSA-N 412.511 1.938 30 10 HDEE C#CCN(Cc1cc(Br)ccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 801522734 BFSULZKMXICDMX-AWEZNQCLSA-N 400.294 1.858 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCCn1cnc(C#N)n1)c1ccc(F)cc1 804621091 HPJXGWMTYUUWIB-HNNXBMFYSA-N 402.430 1.714 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 804880600 JOHUVUPNRNUJIK-IRXDYDNUSA-N 417.462 1.603 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 812090334 IKRJUGRAPUJIBR-AUUYWEPGSA-N 424.477 1.675 30 10 HDEE CN(C)CCCNC(=S)NN=CC1(CNC(=O)OC(C)(C)C)CCOCC1 814221845 OXWVFCFNOVKRDR-UHFFFAOYSA-N 401.577 1.710 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2)c1=O 838164871 WICZLUWWVYIDIM-UHFFFAOYSA-N 420.490 1.951 30 10 HDEE C[C@]1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1131309381 LGJDADMOXYHDDE-AUUYWEPGSA-N 403.460 1.386 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C[C@H]3C(=O)OC)s1 1136822827 OGJVCNFPFNMSHL-AWEZNQCLSA-N 412.533 1.557 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccncc2)C(=O)OCC)c1 1137192192 XFYSOQFHAXKBSF-LJQANCHMSA-N 414.483 1.783 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](c3nnc4n3CCC4)C2)c1 1144592852 UOUQARKVQSIDQZ-CYBMUJFWSA-N 417.466 1.680 30 10 HDEE C#CCCN1CCC(NC(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1147842875 CRJQWRXBQUXRGB-UHFFFAOYSA-N 405.539 1.742 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1151432171 QFVFJWGGNFXALQ-BHYGNILZSA-N 405.476 1.078 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)c2)CC1 1152967756 OKBXSYHBHRRDFJ-UHFFFAOYSA-N 417.453 1.595 30 10 HDEE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156670789 YRIDCNFOLRMMDX-ZWOKBUDYSA-N 419.503 1.334 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2c1ccc(F)c2F 1162772852 ICUALEPDJMVUAA-UHFFFAOYSA-N 407.398 1.819 30 10 HDEE N#Cc1ccnc(NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c1[N+](=O)[O-] 1163545115 IJAJIHUILRCHNE-UHFFFAOYSA-N 401.448 1.704 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1185458104 GLBBMTKHVDVMAU-SFHVURJKSA-N 413.565 1.076 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2=O)c(C#N)c1=O 1186372420 FWFVQSWXYSZBOA-GFCCVEGCSA-N 408.245 1.860 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)[C@@H]1CCCO1 1189432111 ULNDWPQYJLYGKI-NEPJUHHUSA-N 402.266 1.695 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCCN1C(=O)c2ccccc2C1=O 1195376230 HJTXWIAESHNEJN-UHFFFAOYSA-N 415.449 1.904 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC[C@H](C(N)=O)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1230269568 LHBGXQYEIGALNC-HZPDHXFCSA-N 408.499 1.064 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1286293148 MICAOFQIICFVQF-KBPBESRZSA-N 400.449 1.961 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286443410 GHFWWLVSRUHLJU-JKSUJKDBSA-N 423.525 1.189 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cn2ccc(C)cc2n1 1286462158 DPDRVKONVIMEJI-UHFFFAOYSA-N 402.462 1.826 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286540489 BJXSTUPSORTCEP-FRRDWIJNSA-N 421.361 1.948 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1286727638 VZQXDRVLRNMHQM-MRXNPFEDSA-N 409.556 1.814 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1286773718 QPOXXGJXALRGKL-QGZVFWFLSA-N 412.494 1.276 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cnccn2)CC1 1286784511 KDHBZYVMLYQMDL-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1286787536 GZUYGZAHRCWDDV-OAHLLOKOSA-N 400.439 1.629 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1286821234 DZXWVAFTXNOTBN-QGZVFWFLSA-N 419.482 1.338 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnnn2C)c1 1289342777 CDKSUYJBQYJQKT-GOSISDBHSA-N 408.466 1.380 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1293700044 IVTHJCXBBLQSAC-IDOMTICXSA-N 406.494 1.789 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1298173526 BHYYJFIPQLSDRH-FMQUCBEESA-N 407.478 1.779 30 10 HDEE C#C[C@@H](CO)NC(=O)c1csc(I)c1Br 1298581579 JOCNNPRADWNWFY-YFKPBYRVSA-N 400.035 1.839 30 10 HDEE Cc1nc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c2cnn(C)c2)no1 1298587759 BOPQZXFZABHUKP-KSSFIOAISA-N 405.418 1.242 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1300408932 DFSJTFAILFKZNR-STQMWFEESA-N 406.430 1.361 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCN2CCN(C)C(C)(C)C2)CC1 1300698388 RRMZYKCOFMWDRL-UHFFFAOYSA-N 413.614 1.717 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCOC[C@H]2C)CC1 1300731504 QKXAXKPSQNXULJ-SJLPKXTDSA-N 403.527 1.453 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2nnn(C)n2)CC1 1301113660 BICISGULEQXXRU-UHFFFAOYSA-N 410.482 1.937 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCC)CC1 1301149542 ADPLAPXCEKBAOA-UHFFFAOYSA-N 412.542 1.596 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C 1301172805 NOYQUFISGZZSPL-VBKZILBWSA-N 421.519 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC(C)(C)C1 1301568455 SPIHLBUJOGHKKC-AWEZNQCLSA-N 413.544 1.021 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H]1c1nncn1C 1301569254 UKIADUBWKHJORY-GJZGRUSLSA-N 407.544 1.862 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1301649226 GYVMJKQLQVRBPO-PKOBYXMFSA-N 421.505 1.400 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)c1 1307290009 YEOXAGOHYCWZFN-CQSZACIVSA-N 418.409 1.868 30 10 HDEE CCn1cnnc1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1313854908 FQQFZONKKRTHLP-HNAYVOBHSA-N 402.503 1.574 30 10 HDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1315679691 BEMJKDHAPKKJRI-QVOMUQBLSA-N 412.560 1.689 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C 1356353728 VQFBGIXVTCWFKT-RTWAWAEBSA-N 407.474 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1358875975 ZSOUZZAJGJQQJN-LBPRGKRZSA-N 421.299 1.352 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(OC)OC)c1)[C@@H]1CCS(=O)(=O)C1 1358957576 WMENNZIAMRDJKF-GOSISDBHSA-N 418.519 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1358971510 YLIHCHVJRVDMDE-UHFFFAOYSA-N 417.311 1.597 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1358973717 CFCSTEMCHPMKDU-UHFFFAOYSA-N 405.462 1.704 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1358978259 HLSIIMRYUIXBSD-IBGZPJMESA-N 423.492 1.743 30 10 HDEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC 1359000854 GFBHFBDKEYHHIE-UHFFFAOYSA-N 401.536 1.757 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCN(CC)C2)CC1 1359028994 LNIWKVODWPYFPO-SFHVURJKSA-N 422.537 1.022 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)N2CCCC2)CC1 1359034197 HMRCAAMRRZDZCX-HXUWFJFHSA-N 410.570 1.554 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N(C)C)CC1 1359038822 MIYAMEJXVPEJOH-QGZVFWFLSA-N 400.502 1.702 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359125428 CRFSQQYEUTZDNF-GOSISDBHSA-N 418.542 1.411 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359131409 SNXSNIVVTGXLET-MRXNPFEDSA-N 413.526 1.766 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359132387 WMQJZDHMNQBMGG-QWHCGFSZSA-N 403.405 1.589 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1359214835 MYFMPOFASCHGCC-QGZVFWFLSA-N 406.494 1.789 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1359238897 ZKEUQUJOMMFOAY-UHFFFAOYSA-N 423.477 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359297752 ARFNLZIHPGHZPH-HNNXBMFYSA-N 421.505 1.406 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(S(C)(=O)=O)CC1 1360184107 ANTQKVSJPGBFTI-UHFFFAOYSA-N 408.528 1.124 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCN(Cc2ccccc2)c2ccccn2)C1=O 1439110907 MQJJNFYEVJIDMA-UHFFFAOYSA-N 421.457 1.181 30 10 HDEE Cn1nc(C(F)F)c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)sc21 1439617301 TZXYQDKOKKZLCC-AYVTZFPOSA-N 400.432 1.583 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1447480890 HAMLQXUALNNVLN-MCIONIFRSA-N 412.487 1.401 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)CN(C(=O)OC(C)(C)C)C1 1455751422 FYPJGLKNYQKLNS-HNNXBMFYSA-N 417.510 1.999 30 10 HDEE Cc1c(S(=O)(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)sc2ccc(C#N)cc12 1463423414 IFDLPNLVTCIVEX-NSHDSACASA-N 413.546 1.736 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCn3ncc(I)c3C2)cc1 1464620700 XEGBBFOVWRUMCX-UHFFFAOYSA-N 413.240 1.674 30 10 HDEE Cc1cccc(-c2nnc3n2C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC3)c1 1464923416 JBKQQLJIWMGTTG-UFIXSJTLSA-N 420.473 1.459 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1468801905 IRBXNNDUVPYKIL-MGPWXQLLSA-N 422.482 1.045 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H](CC(N)=O)c3ccccc3)C2=O)cc1 1469762081 AZTAOGSGRRSPFC-OALUTQOASA-N 405.458 1.970 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1470583851 BYVWFTRPWDSVCJ-JSGCOSHPSA-N 407.471 1.597 30 10 HDEE C=C[C@@H](C)ONC(=O)NC[C@H](O)COc1ccc(I)cc1 1470680519 WJQIEOSKXYEMLR-PWSUYJOCSA-N 406.220 1.836 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CC(=O)NCc2ccc(C#N)cc2)CCO1 1473682788 IFNXRUWMEAPTAO-OAQYLSRUSA-N 403.479 1.234 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(C2CCCC2)c1C 1473832508 KTGPOFKTPDCSBZ-JOCHJYFZSA-N 415.538 1.409 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1478350717 IFJOWYQJMYJWSP-MRXNPFEDSA-N 411.499 1.442 30 10 HDEE COc1ccc(CCNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 1478566938 BMDXJSUXDYDVPE-GOSISDBHSA-N 408.458 1.915 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccco1)N(C)C 1507610158 IMEIZFKNZPFNLP-SFHVURJKSA-N 417.477 1.886 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNC(=O)Cc1cccc(F)c1 1507645902 HTHSPYNOXQNZSL-UHFFFAOYSA-N 418.476 1.854 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(C)(=O)=O 1507680682 KQSAECDOYDLJCT-UHFFFAOYSA-N 406.468 1.252 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1507950357 DGXVGACRHZHOPO-UHFFFAOYSA-N 423.521 1.778 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nncn2C)C1 1508116476 NYHUSNGZMKULJG-AWEZNQCLSA-N 400.874 1.952 30 10 HDEE COc1ccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)cc1 1517004115 DTRMUXZEHPXULP-HNNXBMFYSA-N 412.450 1.861 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1517085179 FRXJPWSRAYVTDL-UHFFFAOYSA-N 416.429 1.755 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1517238883 CPMKJQUTYSWWIK-QGZVFWFLSA-N 410.478 1.148 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)C1=O 1517401700 LJMSUDJNJPRJJI-QFIPXVFZSA-N 421.505 1.387 30 10 HDEE COCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1519402604 YKLIKFOLODAICL-MRXNPFEDSA-N 423.420 1.938 30 10 HDEE C[C@H]1CN(CCN(C)c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1520831442 BUWAROUGVYWTCA-IYBDPMFKSA-N 422.493 1.793 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1521115535 XQTNPRPSYSOZAF-MSOLQXFVSA-N 415.542 1.206 30 10 HDEE CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCS(=O)(=O)C1 1524605510 ALUZGGFYMFYCNI-NSHDSACASA-N 401.282 1.735 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3nn(C)cc3Br)cc2C1=O 1533533986 IKQKESZBKYIBMG-UHFFFAOYSA-N 403.236 1.895 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCO[C@](C)(C#N)C3)nn2)CC1 1538538459 XWCVCZZUCKMBOO-LJQANCHMSA-N 404.471 1.605 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1539013203 IERXORADAYHUIG-HOTGVXAUSA-N 410.540 1.224 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1539124068 BUPZHICFUMIGQU-MRXNPFEDSA-N 400.504 1.862 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1539141311 FLARQDQBPMCOSH-RYLXDESZSA-N 404.511 1.800 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1539146136 ZBTIDXUMCBQGKV-SFHVURJKSA-N 424.553 1.268 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1539257706 NNVCXNZKCBEBJH-UHFFFAOYSA-N 416.485 1.781 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1540007807 YVFYBGBRMPHZBC-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1540164218 KBDSXZRDUYBJGE-UHFFFAOYSA-N 408.409 1.566 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1540403271 SYIZKYPYSYBDTC-KRWDZBQOSA-N 401.385 1.605 30 10 HDEE N#Cc1ccc(OCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)cc1Br 1540505725 RUDQYYSOQQGRGL-UHFFFAOYSA-N 421.251 1.985 30 10 HDEE COc1ccccc1[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728348 CWWNWOKYVBLWTH-LJQANCHMSA-N 415.471 1.133 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540868010 OWNCGFULRZWCJA-JKSUJKDBSA-N 415.494 1.496 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@](O)(Cc2cccc(Cl)c2)C1 1540872491 QYQLLPPBYIKABM-FQEVSTJZSA-N 403.914 1.980 30 10 HDEE CC(C)(C)c1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541162204 ADDDELHWUOJNOZ-WUKNDPDISA-N 414.510 1.861 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(=O)NC 1547744019 GAOILGAVBZXCMV-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1 1555670647 VSLLRPGAAXFUSL-QZTJIDSGSA-N 406.531 1.607 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)c1 1557061562 YESPSVZISXGJAR-AWEZNQCLSA-N 406.504 1.933 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CCOCC1 1558417687 IBPGUJNQRFXEQY-UHFFFAOYSA-N 404.410 1.672 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1ccc(C)c(Br)c1 1561575483 FGAHKHFZFODJFS-OAHLLOKOSA-N 418.357 1.979 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1570226603 ACMAEWLBGPTERR-LSDHHAIUSA-N 412.895 1.272 30 10 HDEE CNC(=O)c1ccccc1N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584257873 XNOPOLWWRWZKEU-QGZVFWFLSA-N 419.441 1.786 30 10 HDEE CS(=O)(=O)C1(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCCCC1 1584701763 COUDMKJLSBHVPN-UHFFFAOYSA-N 401.492 1.803 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587614324 ICHBYYYEAKBVQT-HOCLYGCPSA-N 409.469 1.620 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588054461 NQLWPEVMTDQTQB-BSDSXHPESA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C2OCCO2)c1 1588119906 BFMKQGZCTFCKSO-UHFFFAOYSA-N 402.458 1.845 30 10 HDEE C#CCSCCn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@@]1(OCC)CCOC1 1589125141 GRLKUTLTDXZIJN-HXUWFJFHSA-N 423.583 1.648 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 1593752487 LVHKWNHIBOWILT-GOBJLOIFSA-N 409.421 1.939 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)S(=O)(=O)CC)CC1 1594237030 LYHKTFRHKTWQCA-QGZVFWFLSA-N 411.572 1.856 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1594971646 IUWNXCXWJDOMDZ-UHFFFAOYSA-N 411.478 1.805 30 10 HDEE CC(C)n1cc(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567653 NLPGJAJWTCSRJM-XHDPSFHLSA-N 400.298 1.842 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1 1610951493 AUDOLAMCJZTPOI-LBPRGKRZSA-N 407.377 1.385 30 10 HDEE CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1617667193 STVYUWOBEYRXJI-INIZCTEOSA-N 410.457 1.661 30 10 HDEE CN(CC1CC(F)(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1618037649 LPYTVGJGNOIWAT-UHFFFAOYSA-N 424.477 1.847 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1619614252 GIPQRTLZNGTBRO-ROUUACIJSA-N 416.457 1.143 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1619615365 BIZOBYDZSUIHDZ-LSDHHAIUSA-N 403.414 1.430 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN(C(C)=O)C1 1619967954 LMAKSNJHNNFDAH-NUJGCVRESA-N 406.531 1.856 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1620175824 ANECAQYYRGRGEA-SFHVURJKSA-N 424.477 1.389 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1623036075 WFBWJLATWYDXBL-QGZVFWFLSA-N 410.540 1.461 30 10 HDEE C[C@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1626688800 GGHYDJDMODFPHO-JSGCOSHPSA-N 405.455 1.115 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)CC2)cn1 1633929915 OZQXWYMAYXUYFM-QHCPKHFHSA-N 405.502 1.629 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](CO)c1ccc(Cl)cc1 1636176867 DWIIGFWGGUBKLY-KRWDZBQOSA-N 407.879 1.682 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(N)c1 1636270363 DYIPQIUOSZKQIU-CYBMUJFWSA-N 414.491 1.075 30 10 HDEE CN1CCN(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1636464083 RWWVVURRMCJTMY-IUCAKERBSA-N 423.304 1.390 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNc3ccc(C(=O)OCC)cn3)cc2C1=O 1637415385 FMEHFMQKYSTUAF-UHFFFAOYSA-N 422.441 1.882 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC[C@@H]3[C@H](C)Nc4ccnn4[C@H]3C)CC2)c1C#N 1638689809 LNXCKJBPATUQHQ-BHYGNILZSA-N 410.526 1.917 30 10 HDEE C[C@@H](C(=O)N1CC[C@@](O)(CC#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1639946811 SXIWIVOZAMLYQX-BTDLBPIBSA-N 406.236 1.311 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)NCCOC)c1 1640923848 BMJYIBOAQQEVGU-UHFFFAOYSA-N 410.492 1.028 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCCOC(C)(C)C)CC2)c1 1644500544 WFOJUSCRNIGTFQ-UHFFFAOYSA-N 421.563 1.561 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1648780412 YTJVTTPQCOKILO-CYBMUJFWSA-N 413.883 1.306 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(c3nnccc3C#N)CC2)cc1OCC 1651456323 ABCIXAYHHAZMFE-UHFFFAOYSA-N 417.491 1.657 30 10 HDEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1C#N 1651926253 HYUWZTIRKFIZFO-ZDUSSCGKSA-N 419.528 1.869 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(F)c2)c1=O 1652998137 LUJBRNULINMFLV-UHFFFAOYSA-N 402.382 1.001 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OCC 1655359014 QREPCVHJMGQZHU-OAHLLOKOSA-N 413.448 1.436 30 10 HDEE CC(C)(CCS(=O)(=O)N1CCN(c2ccsc2C#N)CC1)S(C)(=O)=O 1656002935 IDOSTGZMKVBGAH-UHFFFAOYSA-N 405.567 1.285 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cn(CCCCCC)c(=O)nc1O 1657129029 MSCSRYSDTQYPMI-UHFFFAOYSA-N 410.540 1.247 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1 1658659438 ZENUHVNKDRUSIR-SJORKVTESA-N 407.492 1.434 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)nc2F)CC1 1662993899 LXBVCMZEFGPOER-UHFFFAOYSA-N 404.261 1.133 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OCC 1665796982 IXILMBSOOOFRIQ-CQSZACIVSA-N 408.473 1.373 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1667239577 CIIHUVNVWKQCIP-GFCCVEGCSA-N 422.326 1.023 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)n1 1672542953 XRWOMPUDTDUVMC-MRXNPFEDSA-N 413.457 1.417 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C 1672645711 ZPMIPQJVCQBMNA-UHFFFAOYSA-N 400.435 1.860 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@@H]12 1676809667 NBOZYDNSXKFXHS-YVRPSHTOSA-N 400.523 1.285 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCc1ccc(OCC#N)cc1)C1CCCC1 1678175001 FENNDQJCTWCFKR-SFHVURJKSA-N 423.539 1.343 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1678520245 RNPFWJIAIZHYRM-UONOGXRCSA-N 410.462 1.150 30 10 HDEE Cn1cc(CNC(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)c(-c2ccc(C#N)cc2)n1 1680013834 GXHSAOBYBWQMGQ-KRWDZBQOSA-N 418.461 1.532 30 10 HDEE CN(Cc1ccccc1)C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 1682444091 YKDJZMZGGMDNEQ-UHFFFAOYSA-N 422.489 1.442 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1cc(=O)n2ccccc2n1 1683540833 DOVKLZMOFSDPTP-UHFFFAOYSA-N 404.474 1.840 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H]2C)CC1 1684436314 KDSOAMOJOXEPLE-ZTFGCOKTSA-N 424.954 1.832 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c(Cl)c1 1684701128 DWPSQKCSUMJJRJ-LJQANCHMSA-N 419.869 1.264 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1687568241 SZKHCNGCMTVLDJ-UHFFFAOYSA-N 413.478 1.934 30 10 HDEE C#CCN(C(=O)NCCN1CCNC1=O)[C@@H]1CCOc2ccc(Br)cc21 1687629336 UWKICQUBAWGKAG-OAHLLOKOSA-N 421.295 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCN(CC)C2)CC1 1690111543 DNTAGLQRJLVMCH-RBUKOAKNSA-N 404.559 1.099 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC(F)F 1690188760 ONPKDANAJANYAI-LJQANCHMSA-N 410.469 1.570 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1690300615 GSZRXGIXMBWITC-UYAOXDASSA-N 418.586 1.996 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1690309712 IKBUFEMOAJWNDB-UHFFFAOYSA-N 404.471 1.171 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCCc2ccccc2)CC1 1690380086 BGOTZOFCUZWOHF-UHFFFAOYSA-N 422.533 1.916 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690488254 MFWWBCLBTOVCGM-UHFFFAOYSA-N 409.494 1.751 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690605852 ZMIMOAVRARUKKB-IBGZPJMESA-N 408.524 1.779 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@H]1CCOC1 1693510569 KSYOCRVYDZXUPM-LJQANCHMSA-N 411.510 1.623 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C#N 1696498761 VDPDDAKKDFOEPV-OAHLLOKOSA-N 415.523 1.742 30 10 HDEE COc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1697377174 JMVDXTZEFBQDNJ-UHFFFAOYSA-N 422.445 1.754 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cc1O 1697457927 CJEHPWWZGCABRQ-UHFFFAOYSA-N 410.478 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1705480434 USWZMZGBOXFPGT-JQVVWYNYSA-N 419.570 1.745 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1705615910 MWRARIYWAVVBKK-HNNXBMFYSA-N 407.565 1.918 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCOC)CC1 1705638499 MQRMWAJRRLFCKG-UHFFFAOYSA-N 421.505 1.776 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705655864 NOHQWQBWXSOWIC-AWEZNQCLSA-N 417.926 1.574 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)C(=O)NC 1705662493 ACRFSBXMVDXVNY-ZDUSSCGKSA-N 406.581 1.819 30 10 HDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1705664215 XWXKXCXQSOSPFN-KRWDZBQOSA-N 413.547 1.750 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1705762118 MYGBDKRYQZXHCR-QGZVFWFLSA-N 412.542 1.975 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)CC)CC1 1705767146 CHONBPXUQRDVEC-UHFFFAOYSA-N 421.505 1.827 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705830024 IDOQIRLSGMPVOW-FXAWDEMLSA-N 424.567 1.780 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccccc1F 1706870646 GCRRTEGNZPCBFV-ACJLOTCBSA-N 424.477 1.712 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1F 1706870648 GCRRTEGNZPCBFV-SCLBCKFNSA-N 424.477 1.712 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1706935206 NNHLBUDPEITYPF-YJBOKZPZSA-N 407.540 1.879 30 10 HDEE CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1708774885 UFCAVMFCNLFDGC-KURKYZTESA-N 406.531 1.605 30 10 HDEE CCN1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1=O 1710261997 DAJWSHCGCXYWJN-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1712103553 HMXQMRGBHTYLSB-UHFFFAOYSA-N 407.434 1.148 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2[nH]1 1722373077 IOLQCUFPJXMVEJ-MRXNPFEDSA-N 424.530 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CC(=O)NCC(F)(F)F 1722383547 LFJDUFJHMUVRQR-UHFFFAOYSA-N 403.408 1.929 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)C 1722391892 XWZPLYUKAKKLQJ-QFIPXVFZSA-N 415.538 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cl)nc1 1722428214 YEDXACZPUVTOCU-UHFFFAOYSA-N 402.886 1.583 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722428849 KXSAKCPPKJNYIX-IBGZPJMESA-N 423.517 1.592 30 10 HDEE C#CCSCCn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722452930 UEMKGQVETVZYSB-LPHOPBHVSA-N 404.584 1.332 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H](C)CC(N)=O 1722453671 BSEULAPAJMBZJU-ZDUSSCGKSA-N 402.480 1.920 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC#C)CC#CC 1722453996 GVZMGCPEUCWTKH-UHFFFAOYSA-N 416.514 1.750 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1S(C)(=O)=O 1722638579 GWJPSMJWMOXSAL-CYBMUJFWSA-N 422.511 1.052 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722687418 YAHMTTWDRGEGIT-LJQANCHMSA-N 415.523 1.634 30 10 HDEE CC(C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1723161811 VPYIDCMWRRDCOC-ZPHPHTNESA-N 415.498 1.020 30 10 HDEE C#CCCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cnn(C)c1 1736126415 OCCFCXOWBHCSCE-OSFNYYGPSA-N 410.518 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1740531522 NPXMZEJCJHQTPE-KRWDZBQOSA-N 424.505 1.464 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1740602837 XGGHGWMLRRUHQC-HNNXBMFYSA-N 404.540 1.215 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740640031 YQSMPKWGSAJCBA-YADHBBJMSA-N 419.529 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(=O)NC1CCCCC1 1740657930 CNDUVLRXARPTRK-UHFFFAOYSA-N 410.522 1.312 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740792968 NSDXFSMEPOJFHB-KRWDZBQOSA-N 418.542 1.517 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1740876089 OALUWNSMRJYUFK-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCS(=O)(=O)CC1 1740895653 PFNIBSIRACDJKK-UHFFFAOYSA-N 420.491 1.236 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1740899018 CYZPZUCJGLQJHW-QZTJIDSGSA-N 424.615 1.076 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1740919477 HKYVJYDPAXYPAJ-OAQYLSRUSA-N 417.485 1.899 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)=O)CC1 1740963775 WXWGUPNKOXSILS-UHFFFAOYSA-N 412.494 1.136 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1741130691 ZWCYAGKQSMZQRF-UFOSLELVSA-N 408.466 1.406 30 10 HDEE CC[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1743821236 HATWYKLUFJVGCT-MGPUTAFESA-N 417.535 1.849 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1748681494 DJNUGIFLHPQVEH-MOPGFXCFSA-N 421.549 1.943 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1748751994 PRVMJMWYRNZMFM-AWEZNQCLSA-N 424.552 1.117 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1748979324 YIOQYBUSBWJGSL-ZCNNSNEGSA-N 417.554 1.739 30 10 HDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749514405 AJAHSRROGRKJDN-FQEVSTJZSA-N 413.503 1.521 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1)C1CC1 1749525719 ULHNCFWGYMEKRJ-HXUWFJFHSA-N 404.584 1.993 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749617664 CXBOXGJNJJSCFV-KRWDZBQOSA-N 410.478 1.906 30 10 HDEE C=CCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@@]1(OCC)CCOC1 1749646318 OHIJXAUSFHULPM-HXUWFJFHSA-N 402.499 1.735 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(C(=O)NCC)CCC2)C1 1749705561 JIILLZYYQLBPJQ-INIZCTEOSA-N 411.510 1.823 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCC2)C1 1749705844 KRNWEXOJWHSWEG-KRWDZBQOSA-N 411.510 1.919 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1749878247 DFETUVHAQDQHKV-UHFFFAOYSA-N 424.534 1.793 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1750379307 DUNIYXCDFAKMTK-IBGZPJMESA-N 418.498 1.878 30 10 HDEE Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1751518744 IEFFXSVFMSBXMY-QGZVFWFLSA-N 409.494 1.415 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1752270305 CKAFNGXGCMLPLC-IZPCHGGPSA-N 412.519 1.395 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1760151643 JIPVSWDUNVSXRE-SFHVURJKSA-N 405.510 1.987 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1760155111 QBFAVEBUSIRYOI-QGZVFWFLSA-N 420.539 1.154 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760189213 SMROOZKJZQGEEB-FUHIMQAGSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1760262813 BYYPSSVJRVDIIH-FQEVSTJZSA-N 414.598 1.734 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSCC#C)CC1 1760270172 SUTDIKHAMUFWKT-KRWDZBQOSA-N 401.536 1.114 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760322712 WONDAAXOBMDOMX-MTSZKFMLSA-N 412.531 1.956 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760338646 NXMIPCJTZCPEPV-HXUWFJFHSA-N 422.526 1.960 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760345084 FWNSAEKJBHCSEV-ZDUSSCGKSA-N 416.511 1.512 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1760464782 PAEKILSTENTQSU-INIZCTEOSA-N 415.519 1.137 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccsc2)n1CC(=O)N1CCOCC1 1760504929 GJOLHENBUPJLMY-UHFFFAOYSA-N 405.524 1.428 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760519745 NOWKMCMQSKIIRC-PBHICJAKSA-N 415.494 1.472 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)CC1 1760606122 CNJSFLZMIWCUIT-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)C1 1761546455 WWKQTQRNFAYAAS-LAUBAEHRSA-N 416.526 1.726 30 10 HDEE C[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)COCCO1 1761570017 DWTHQCVWOSPFRS-JLTOFOAXSA-N 419.432 1.681 30 10 HDEE Cc1nnc(N2CCN(CC(=O)NCc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1762616913 AKPQPHHPJFHXQJ-UHFFFAOYSA-N 419.489 1.538 30 10 HDEE CC(C)c1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763060193 PRAKHGLZGNJFGX-HFUDNHEJSA-N 402.499 1.932 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C)s1 1764992110 CCZGKEUJDIFSDA-OAHLLOKOSA-N 408.491 1.740 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1768446961 GACAFSIMYNCMHI-UHFFFAOYSA-N 419.493 1.345 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)CC#N)c1 1769365429 YRFRYPUQHPKYDV-WMLDXEAASA-N 418.523 1.824 30 10 HDEE CO[C@@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1769769183 CBQXIOFWDFKFRG-DYESRHJHSA-N 410.478 1.543 30 10 HDEE C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCN(CCC#N)CC1 1850871878 CJTFRQSYIFOXFU-LBPRGKRZSA-N 419.334 1.718 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CC(=O)Nc2ccc(F)cc2)CC1 1851155403 XEGDXOAMOCPAMF-UHFFFAOYSA-N 411.437 1.786 30 10 HDEE N#Cc1cnn(-c2cccc(Cl)n2)c1NC(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1852098220 BQCMQDHQFIZTBR-GFCCVEGCSA-N 414.853 1.758 30 10 HDEE CN(C)c1ccnc(N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc2F)c1C#N 1852598488 TZQWMMUEKFZPGX-UHFFFAOYSA-N 417.466 1.714 30 10 HDEE O=C1C[C@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1 1853006097 YBCUNMBHSDOATK-ZDUSSCGKSA-N 417.409 1.906 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1=O 1853828148 IHIVTHLLOCKJJH-OALUTQOASA-N 413.518 1.919 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3Cl)C(=O)C2)cc1 1854023961 LXNNHUGLZNBHDB-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)C1=O)[C@@H]1CCN(C)C1=O 1854179231 NWMFHLWZBINBOC-MOPGFXCFSA-N 401.482 1.913 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(Br)cc2F)CCN1S(=O)(=O)CC#N 1854872307 GYSNRSHJBFWKNR-VIFPVBQESA-N 418.244 1.114 30 10 HDEE CCOc1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)ccn1 1855128065 KORHAAAGESLPFV-HNNXBMFYSA-N 406.442 1.908 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1 1855546966 WHMWXACYPIUSDI-AWEZNQCLSA-N 402.520 1.406 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC(F)(F)F)CC1 1855838599 AVEYYOUOALGBKH-UHFFFAOYSA-N 415.393 1.979 30 10 HDEE COc1cccc(COc2coc(CN3CCN(C(=O)CC#N)C(=O)C3)cc2=O)c1 1856490206 UOSOPDDIZDPCEP-UHFFFAOYSA-N 411.414 1.312 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCN(CCC#N)C4(CCCCC4)C3=O)n2)cc1 1856629193 VCRXGQPVFJLCAB-UHFFFAOYSA-N 407.478 1.872 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3ocnc3c2)C1)[C@H]1CCN(C)C1=O 1857057685 YFVISZBNDTXGTB-YJBOKZPZSA-N 410.474 1.925 30 10 HDEE COc1cccc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c1 1857071308 IZUVVDSMYJFCGT-LJQANCHMSA-N 405.458 1.525 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857076267 CWFGJKTWEWRAIR-FUHWJXTLSA-N 417.481 1.688 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3C[C@H](CN4CCC(CC#N)CC4)CC3=O)cc2n1C 1857208820 UEUPINUYSKNYSB-INIZCTEOSA-N 409.490 1.491 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(C)c(C)c2)C1)[C@@H]1CCN(C)C1=O 1857317235 WSCPNJYEYUEBBK-UYAOXDASSA-N 413.518 1.776 30 10 HDEE CCC[C@@H](F)C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857397779 PZLGOZPUGKQUJU-FUHWJXTLSA-N 401.486 1.979 30 10 HDEE CCc1ocnc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857464791 GUBYPXYOJVEQBT-AWEZNQCLSA-N 409.446 1.646 30 10 HDEE CCOC(=O)CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 1857955676 ADJKTTLLVRWDHB-UHFFFAOYSA-N 419.503 1.986 30 10 HDEE CCc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858335504 ODRLRHSQMOJBBD-KRWDZBQOSA-N 419.528 1.862 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CSCCO 1870179287 BEZDBRRIPIXPGY-UHFFFAOYSA-N 418.515 1.964 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)cc1O 1874435445 HHMSSNIZUZBFLR-UFWORHAWSA-N 407.452 1.253 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874473231 UDXXLLMPZMBQAQ-GIJQJNRQSA-N 410.452 1.337 30 10 HDEE CC(=O)Nc1ccn2ncc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)c2c1 1891545608 WOFLGCAUCOYXIN-HNNXBMFYSA-N 405.418 1.638 30 10 HDEE N#Cc1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)c(F)c1 1892299433 LRYWNFGZNWNZLS-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE N#Cc1cc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 2074668082 ZNJSQGALBKPTRB-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1cc(Br)ccc1C#N 2124720320 VJRNXMYMOAHBLJ-ZDUSSCGKSA-N 423.267 1.995 30 10 HDEE COC1CN(S(=O)(=O)NCc2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2202309689 QVIINXHQYPSFBQ-UHFFFAOYSA-N 402.347 1.021 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243418725 JUNQXEDXZSKEDT-UHFFFAOYSA-N 406.292 1.306 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@](C)(C#N)C1)NC(=O)OCc1ccccc1 2258158361 KKGCUUSCTQGPAO-CRAIPNDOSA-N 409.464 1.020 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CCS3(=O)=O)c2Cl)OC1(C)C 2267103497 JQEHKRIIZXGRRA-VIFPVBQESA-N 405.734 1.618 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1nncs1 2267705758 LQCOEDUARYHPOK-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSC[C@@H]2CO)OC1(C)C 2267720097 ICPHREBDRHZLOS-NSHDSACASA-N 405.372 1.146 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCNC[C@@H]3F)cc2Cl)OC1(C)C 2282305422 YOPSBNQRBSIVHH-QWRGUYRKSA-N 424.756 1.679 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282316215 ZCWBGFJPTPPPFD-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC1(C)CNCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282346159 UCMLWLVBZDTQRV-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE COC[C@H](CF)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282420929 HAHMJLAXDBMGPR-NSHDSACASA-N 407.700 1.902 30 10 HDEE C[C@@H]1[C@@H](N)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282491175 KQMSWJKLVMZUMG-RISCZKNCSA-N 400.737 1.749 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505473 DZORQWBSGQPSLA-VWLOTQADSA-N 423.387 1.621 30 10 HDEE Cn1nc(C(=O)NC2CSCCSC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282551104 HGBSFNUYTOFXLJ-UHFFFAOYSA-N 417.793 1.951 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282828457 OOJGQGGKYTTWNG-VWLOTQADSA-N 405.322 1.172 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3[C@H]4CC[C@H]3CNC4)cc2Cl)OC1(C)C 2282836701 NXRLWZQCKFWEAG-QWRGUYRKSA-N 418.777 1.826 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1N(C)C 2282856584 VHKJYUHUNROFCE-OCCSQVGLSA-N 400.375 1.618 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)c2)OC1(C)C 2282865665 XERZZNYBMZJOPA-RUZDIDTESA-N 402.347 1.966 30 10 HDEE CN(C[C@H]1C[C@@H](O)C1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866190 FTPGWWFKVSVWEI-XBXGTLAGSA-N 401.359 1.580 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@@H](C(=O)O)C(C)(C)S 2283451002 OJUZNUOMAJFOME-ZDUSSCGKSA-N 408.517 1.212 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@]4(CN)C3)cc2Cl)OC1(C)C 2288265873 CEQSPOHXQMMFHC-MGPLVRAMSA-N 418.777 1.670 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c(C)n1 2296624963 POFLKRURLQXJGH-GOSISDBHSA-N 412.446 1.440 30 10 HDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CN(C(=O)OC(C)(C)C)C1 2300228353 NKZPLBOPNCTFSL-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](NCCC#CBr)(C(=O)O)C1 2305883544 OFWYBXKISGCURM-LRDDRELGSA-N 405.289 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@](NCC#CBr)(C(=O)O)CO2 2305997062 ZHKVEWRKKNKIHI-JKSUJKDBSA-N 403.273 1.555 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315532246 SLHLBEWJZDDFGO-SJLPKXTDSA-N 424.354 1.970 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CO[C@@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2365211864 PJJFOAMIQZMMFU-NXEZDXNNSA-N 400.541 1.473 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCCN1C(=O)OC(C)(C)C 2367800902 NNVUYQUWOGOYCU-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CCN1CCN(c2ncc3c(n2)c(=O)c(C#N)c2[nH]c4ccccc4c(=O)n23)CC1 3187105 QZTGTZUOHYXLAV-UHFFFAOYSA-N 401.430 1.098 30 10 HDEE C=CCN1CCN(S(=O)(=O)[C@@H]2CON(C)[C@@H]2/C=C/c2ccc(OC)cc2)CC1 34739550 ASOJJEWXHUCXRW-DSJULSIBSA-N 407.536 1.456 30 10 HDEE CCOC(=O)N1CCN(c2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])CC1 40618214 FHHFDWQAVNCJLY-UHFFFAOYSA-N 402.415 1.297 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1 46618586 LQYOKWVLSFHHEZ-UHFFFAOYSA-N 400.504 1.945 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 55118420 LIVXTUXSXYSLAK-FQEVSTJZSA-N 406.486 1.392 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)CC(C)C)c2ccccc2)CC1 110586878 VDSOMOVJMSFBCI-NRFANRHFSA-N 400.523 1.336 30 10 HDEE N/C(=N\O)[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCO1 148394901 NAGABYCWGWEICO-LURJTMIESA-N 404.695 1.300 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)CC1 247716932 NYBFGFBPNAVQCQ-UHFFFAOYSA-N 410.453 1.123 30 10 HDEE C#CCNCCn1cnc(I)c1I 379367048 LTWOQVJXBMZDSZ-UHFFFAOYSA-N 400.989 1.315 30 10 HDEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409503838 ZIBQSKQLHMBDJJ-FFZOFVMBSA-N 421.567 1.392 30 10 HDEE CC(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460640967 UPHKQZWLIXQKFS-WBVHZDCISA-N 412.498 1.399 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 460800867 UPLYOVJZLQQVKO-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 465193789 JWBGAFQHVURGCT-BEFAXECRSA-N 420.473 1.817 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@@](O)(C(F)(F)F)C1 471189597 ACYUZFHQZSSSDH-KRWDZBQOSA-N 402.417 1.951 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(-n3ccc(C(F)(F)F)n3)c2)CC1 471477444 WHEILHVMCYFIJI-UHFFFAOYSA-N 421.423 1.951 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NCC3CCN(CC#N)CC3)CC(=O)N2C(C)(C)C)cn1 480116522 YZOLAUHGWWBBIQ-IEBWSBKVSA-N 400.527 1.460 30 10 HDEE C[C@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1(S(C)(=O)=O)CC1 500887653 IMIPDDZUBRFVCX-JEYLPNPQSA-N 406.508 1.908 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@H]2CCCO2)c1=O 502007375 WVFZVKDVFXQKHK-QGZVFWFLSA-N 420.494 1.208 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 506932318 QLYPOSCVBMOJNI-FQEVSTJZSA-N 409.465 1.814 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2C)o1 508442159 NJBNCFIJGAEZAI-UHFFFAOYSA-N 412.475 1.766 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 508471747 HIROIIJECRFRDF-LJQANCHMSA-N 410.522 1.787 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 510166537 MFEAOCIFGFUYDG-UHFFFAOYSA-N 412.515 1.749 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CCC(=O)NCC2CCCCC2)CC1 520194768 DYEMHAGWWSDOFC-UHFFFAOYSA-N 418.563 1.951 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 522531905 SDMMSIPBXLFMIG-TZMCWYRMSA-N 403.529 1.664 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 549637174 CWFLJPNRKUGSPR-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 555331388 QTVQPOMKTKPFQA-APWZRJJASA-N 415.490 1.992 30 10 HDEE Cc1nc(Cn2nnc(NC(=O)N(C)CCOCc3ccc(C#N)cc3)c2C)no1 561813800 QUEOPPZPBYJTIF-UHFFFAOYSA-N 410.438 1.878 30 10 HDEE CN(C)c1ccc2nnc(C3CCN(c4nc5c(cc4C#N)COCC5)CC3)n2n1 585583624 PNUWRZGODMGIHO-UHFFFAOYSA-N 404.478 1.914 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)N2CCN(c3ncccc3C#N)CC2)C[C@H](C)O1 590943622 KCSUWXJRQPLILR-IRXDYDNUSA-N 400.527 1.673 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604002738 WONHAXVFMAFRLG-UHFFFAOYSA-N 418.503 1.637 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 609439364 MKEPAXHSBYBLFB-CQSZACIVSA-N 424.548 1.561 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)ccc1I 611548164 HSVIUYJWFCTJRZ-UHFFFAOYSA-N 404.204 1.557 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(C)(C#N)CC2)c(C)c1 611668464 LKFIBRXNQNWYIG-MSOLQXFVSA-N 419.547 1.888 30 10 HDEE C=CCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(C)c(C)cc(C)c1C 679648478 KONWYAHFMRQRTL-MSOLQXFVSA-N 410.536 1.363 30 10 HDEE CCN(CC)CCN(C(=O)OC(C)(C)C)C1(C#N)CCN(S(C)(=O)=O)CC1 698376079 OKXFDRHEJHERPB-UHFFFAOYSA-N 402.561 1.883 30 10 HDEE NCC#Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1Cl 707433026 CISPEJSMWKSSHL-UHFFFAOYSA-N 417.874 1.688 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc(Cl)nc1 729673252 VGRDYXANXRCVAG-UHFFFAOYSA-N 404.842 1.622 30 10 HDEE N#CCNC(=O)COC(=O)c1cccn1-c1cccc(I)c1 731244101 IXGYEPXXTLLMMA-UHFFFAOYSA-N 409.183 1.878 30 10 HDEE N#C[C@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCN1C1CC1 732672092 CSXBJCXNFYZFIL-NZQKXSOJSA-N 422.533 1.203 30 10 HDEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 734602730 WYHUPFOMZHOBJC-VIFPVBQESA-N 406.320 1.671 30 10 HDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)c1 752395199 XQJLSYQLWUILDJ-INIZCTEOSA-N 406.471 1.819 30 10 HDEE CC(C)Cn1c(CCC(N)=O)nnc1SCCS(=O)(=O)c1cccc(C#N)c1 753910557 KTVUAVBJVBMJPR-UHFFFAOYSA-N 421.548 1.790 30 10 HDEE O=C1N=C(NN=CC2=C(N3CCOCC3)/C(=C\c3ccc(Cl)cc3)CC2)NC1=O 765591550 OOGZACLFXKQTIJ-QNKGQHBXSA-N 413.865 1.691 30 10 HDEE C#CCN(C(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 766481973 NEOSPDBKTVORHG-MRXNPFEDSA-N 407.492 1.369 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767871998 LJBYXJMMRLXRKZ-CHWSQXEVSA-N 403.529 1.664 30 10 HDEE C[C@@H](OC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC(=O)NCC(F)(F)F 780178128 QZZFKOWTXBUHNL-RFAUZJTJSA-N 409.361 1.568 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cc(N2CCNC2=O)ccc1F 781596910 ALDUSQAXLZOJAX-UHFFFAOYSA-N 406.370 1.485 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790652220 XRFMECUGDYBQSY-KDOFPFPSSA-N 401.529 1.482 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1 796096354 MAKSWOKOEWJXNL-QGZVFWFLSA-N 406.529 1.850 30 10 HDEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798745773 VKIVDYHFKFHKIS-MRXNPFEDSA-N 421.461 1.432 30 10 HDEE COc1cc(N2CCC(OC(=O)[C@H](C)n3cnc(C#N)n3)CC2)ccc1[N+](=O)[O-] 798832556 ORRNZJDKNHKBFH-LBPRGKRZSA-N 400.395 1.840 30 10 HDEE CSC[C@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 799599639 BTYKMPXCFKRBEJ-AWEZNQCLSA-N 423.560 1.742 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(F)F)C2)cc1 801617363 NDDQLCDAZNQNLQ-YRHWPSCSSA-N 416.450 1.997 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)CCN1C1CC1 802555429 OFJPJFAMPAGFAV-OAHLLOKOSA-N 423.395 1.715 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 802626839 QLYDLAJDXOVFIY-RDTXWAMCSA-N 404.438 1.460 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCO2)CCN1C1CC1 802692941 NENCFWVYGLXJIN-IRXDYDNUSA-N 422.493 1.281 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cn1 803921766 QWEGAOWACMJMML-UHFFFAOYSA-N 402.403 1.954 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 812183669 GTFSWOFDJJNWML-KRWDZBQOSA-N 421.523 1.529 30 10 HDEE O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@H]1CCN(O)C1=O 820186198 WAGBIZCMDCKMOW-QMMMGPOBSA-N 401.242 1.600 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(F)c1 856532577 PPWNMKSUBXAYRT-DLBZAZTESA-N 402.451 1.378 30 10 HDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1 1083916397 ZLTAABPCRBLQRL-UHFFFAOYSA-N 411.491 1.860 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 1130815082 MSTVEHUSIOPUGF-CQSZACIVSA-N 401.467 1.976 30 10 HDEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1F 1141646452 BPLIZDWTIDGISS-VIFPVBQESA-N 409.215 1.990 30 10 HDEE CCOCn1nc(C)c(C[C@@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 1144429641 XIKSXGOTDCVKQD-MYXCPXAOSA-N 403.483 1.315 30 10 HDEE N#Cc1ccc(NCC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc1 1151314941 UEJSGJRWIBVHIY-RBUKOAKNSA-N 404.474 1.080 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2cc(Cl)ccn2)CC1)c1cc[nH]n1 1156072854 MXCJEYQEPWASFU-UHFFFAOYSA-N 420.857 1.091 30 10 HDEE COc1cc(N2C[C@H](C(=O)NCc3cncc(C#N)c3)CC2=O)cc(OC)c1OC 1156108020 LICXXCLGVZHFSW-OAHLLOKOSA-N 410.430 1.648 30 10 HDEE N#CCCn1cc(C(=O)NC2CC(N3CCOCC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1162873018 JQVNOYIYKPZNNV-UHFFFAOYSA-N 424.461 1.965 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 1175854754 WKHQFYCUUDPUDH-OAQYLSRUSA-N 413.474 1.147 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)OC1(C)C 1176611677 NXNRIVZXEWAFND-ZCXUNETKSA-N 403.288 1.988 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1176837339 MCFFLEGIQYBVPR-LQKXBSAESA-N 409.474 1.871 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1F 1180160693 HJISXSOOAXTXET-VGVBMJIYSA-N 415.400 1.820 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)C1CC1 1205784238 OICIDPRJIMYXME-IFXJQAMLSA-N 402.476 1.604 30 10 HDEE C=CCCSCCNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1252771108 CDAOOHXSLMMMEH-UHFFFAOYSA-N 412.581 1.736 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1 1255363211 JHILJVRUCHVSLB-SFHVURJKSA-N 419.533 1.964 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286384312 HPXWDPMFJXBZAE-OAHLLOKOSA-N 409.556 1.117 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(OC)c1)N(C)C 1286398727 NLCXLIQMTPBJIH-HXUWFJFHSA-N 422.533 1.801 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286505191 ZKRWWGHQZAOCFL-SFHVURJKSA-N 413.595 1.856 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1286701190 WLOBEOMAYLEGJD-CQSZACIVSA-N 403.499 1.534 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1286706505 OTKKHAVDHCNQPO-QLFBSQMISA-N 401.533 1.095 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1286710939 GSDVZPZMSSSYSC-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1286785710 QNKDRJAMUJZTSV-HRAATJIYSA-N 412.494 1.417 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1286787900 LMCACPRPAHAVER-INIZCTEOSA-N 422.493 1.301 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCc2sccc2C1 1286819069 YQKCFOPKFRVTPK-UHFFFAOYSA-N 418.548 1.904 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCC1 1286819244 FAHCXJHBGZYRBB-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1287136636 CNGATRUWHZEVLZ-UHFFFAOYSA-N 423.521 1.681 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnn(C)c2)CCOC1 1288304654 GYFHQYWMMABZQO-RBUKOAKNSA-N 403.462 1.542 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCO 1288513244 CRXFYPBKLKFEEQ-HNNXBMFYSA-N 401.467 1.854 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1293215366 DOWWKHPMKHBQQO-KRWDZBQOSA-N 409.494 1.446 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1294723431 PXJYBIFANZGKDE-OXQOHEQNSA-N 416.478 1.301 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(C(=O)NCCCO)CC2)cc1Br 1294906724 CXPZYGKCGBVFER-UHFFFAOYSA-N 424.295 1.437 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300548555 KMXCMQXKRRSWQX-KRWDZBQOSA-N 424.436 1.057 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(C)C)nc1 1300579811 XCOJDYGDEKAUOM-GOSISDBHSA-N 406.490 1.923 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1301287427 RFOVSOGRYHUBDH-UHFFFAOYSA-N 400.512 1.826 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCSC2)C1 1301557981 YLIBURLLHGHVCX-YLJYHZDGSA-N 401.536 1.913 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 1302500290 ULSCKTVCJCGKCU-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)CC1 1302878716 PIIILENNQGMANJ-SJLPKXTDSA-N 405.495 1.143 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CCN(C)C)c1cccnc1 1303873479 CYYQVRYTOGJSOY-DNVCBOLYSA-N 415.519 1.429 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(C(=O)OC)c(C)n2C)c1 1309803899 XVUKMQCRMMWOMY-UHFFFAOYSA-N 405.476 1.514 30 10 HDEE N#C[C@@]12CN(C(=O)NCCOc3cccc(C(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1312418555 QHORBWPVRZINJU-NHYWBVRUSA-N 418.397 1.059 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)NCC3(C#N)CCOCC3)O2)C1 1313033048 AYTLKYZWIKDGRT-OAHLLOKOSA-N 408.499 1.774 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1316172710 UXBWALAQTCAMGH-MSOLQXFVSA-N 420.558 1.853 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1337193849 VAIJSJVZJVFNQH-QZTJIDSGSA-N 403.504 1.123 30 10 HDEE Cc1c(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cnn1CCC#N 1353004490 BNWIIEUZXKJZRN-UHFFFAOYSA-N 403.508 1.863 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1358936292 JUXJTVFWWKINSS-VGOFRKELSA-N 415.538 1.839 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1358950663 SYWBABMUMHJBCT-UHFFFAOYSA-N 414.941 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(C)(C)O)cc1 1358967092 DFWWVMOFTUORHB-UHFFFAOYSA-N 405.502 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccco1 1358984171 LJTSSKGBVLVMDD-WMZOPIPTSA-N 411.462 1.098 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O 1359002906 RGNVMVRSTGZNTC-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 1359041108 NSKKHTPVZVFCIC-NRFANRHFSA-N 424.549 1.864 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1359301009 OZTQARJREFXBDT-JLAWEPINSA-N 416.570 1.785 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCO[C@H](C)C1 1359305285 YJRFOTPGNHQAQI-OAHLLOKOSA-N 403.458 1.914 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1359854427 YELHPPQHLSCJCD-RTWAWAEBSA-N 400.523 1.328 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1360169688 OLXDXJBEWCCSKE-NRFANRHFSA-N 412.494 1.730 30 10 HDEE N#Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cn1 1435263129 HVTLSYZEYZSODY-UHFFFAOYSA-N 404.423 1.294 30 10 HDEE COC(=O)C[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1435996748 CMPMCARWAJJWNH-VLIAUNLRSA-N 419.865 1.793 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1440735965 CUFHXNKVKKPWMG-LJQANCHMSA-N 416.522 1.868 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)CC1 1440742447 FYIYRGSSBTWQSK-CQSZACIVSA-N 413.400 1.335 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCNc2ccc(C#N)cn2)CC1 1441102744 MXUSDZQANSXOER-UHFFFAOYSA-N 402.499 1.470 30 10 HDEE N#Cc1cncc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1456021010 SXDXVLMAYJWFLN-UHFFFAOYSA-N 401.444 1.595 30 10 HDEE COc1cc(Br)c(N)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1456615476 ZVANIOSPJMAORE-BJOHPYRUSA-N 414.281 1.050 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)COc1cccc(Br)c1C#N 1464553457 CCKPDBSZMZBZKK-UHFFFAOYSA-N 421.295 1.774 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 1465709592 GBUFOVDFDTUXTH-UHFFFAOYSA-N 410.540 1.849 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1ccc(C#N)cn1 1468690270 DTLBOVZYLXEAAY-QGZVFWFLSA-N 403.483 1.625 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)n1 1469756627 SSJGSPPFKUBFQP-FUHWJXTLSA-N 407.434 1.980 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)c(=O)nc1O 1470360664 JDNVWCDFGQMUPH-UHFFFAOYSA-N 401.732 1.247 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 1470618240 IJQIKYQBJCKFBW-UHFFFAOYSA-N 405.370 1.385 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(C)OCCc2ccccc21 1471553047 MDCMJWKATJHXMJ-VFNWGFHPSA-N 413.499 1.829 30 10 HDEE C#CC1(F)CN(C(=O)CSCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1471607341 XLFGJSMVNXVYST-UHFFFAOYSA-N 416.478 1.340 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 1471832612 GVWFPXAKUCTAKR-NYXAKURHSA-N 415.559 1.913 30 10 HDEE C#CCN(CC#CC)C(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1477757816 IZLXMEQWJRTQNE-UHFFFAOYSA-N 416.566 1.932 30 10 HDEE COc1ccc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1OC 1478742665 SPZZOIZELZXPAH-CKFHNAJUSA-N 407.492 1.653 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)C1 1479312861 KHXSRIXIHDJVLJ-IBGZPJMESA-N 400.523 1.629 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(C#N)o1 1504941474 LMNRKYLHXGWWQY-AWEZNQCLSA-N 418.498 1.866 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1507617151 RHDSPYHXMASACQ-HNNXBMFYSA-N 423.539 1.117 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1507678040 QGRZRWOXCRYGKN-UHFFFAOYSA-N 422.533 1.918 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1507679002 PLHHASXIVCGVSW-OAHLLOKOSA-N 417.583 1.956 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507722771 ICZUUQQEVAUBSE-RTWAWAEBSA-N 420.517 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cnn3ccccc23)CC1 1507741129 MGEBUMSUHYDXQX-UHFFFAOYSA-N 421.505 1.476 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1507746907 GKCDEKAGAXKGSS-SFHVURJKSA-N 414.556 1.938 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1507841408 ZCJGLZNFPLWBAN-UHFFFAOYSA-N 400.483 1.404 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCS(C)(=O)=O)CC1 1507888256 MABJJYWDSVHJIK-UHFFFAOYSA-N 423.564 1.861 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCOCC2)CC1 1507906453 IVCNHNVSHUDYOE-FUHWJXTLSA-N 402.543 1.600 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507951216 DAFJXQNFWRVNHP-OALUTQOASA-N 416.570 1.914 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1509660954 QDOGJTGKSLVSGE-SFTDATJTSA-N 413.526 1.557 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1511142896 VOKLKTDUNUPOFN-ZJYNUGOYSA-N 423.477 1.400 30 10 HDEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1516749617 ZRZSFZYISJDOTM-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1518643894 HXAUFBVVLLYTSR-QFIPXVFZSA-N 424.505 1.273 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)N1C(=O)NC2(CCCC2)C1=O 1529893268 OVSWQUKCFQHDRI-SECBINFHSA-N 406.240 1.907 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OCC 1536578794 MCEDAWBGOHGLHN-ZHRRBRCNSA-N 413.474 2.000 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H]4CSC[C@H]4C3)CC2)cc1 1537976854 LBGHOFUBLWFOMX-CALCHBBNSA-N 405.545 1.780 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539087234 SQOISXOMCWAZHP-KRWDZBQOSA-N 409.556 1.622 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNC(=O)C1CC1 1539155769 XXBCSOZAKZMLKZ-UHFFFAOYSA-N 405.300 1.642 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(N(C)C)CCC1 1539172347 XLWRWRFYKHKVGK-UHFFFAOYSA-N 405.506 1.746 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCC1 1539323991 NSCWVCQQNSGOII-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1539357680 MPRFXYATUJAZEK-KRWDZBQOSA-N 417.473 1.941 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539446983 MKXSASQFHMSDMU-VAMGGRTRSA-N 400.571 1.658 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1539656605 ZNQMHKNYNLOQGH-UHFFFAOYSA-N 415.523 1.928 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1539966136 FLVDVTOJORVPGY-ULQDDVLXSA-N 409.556 1.956 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540036370 MMGXTSQNCYHQKS-IEBWSBKVSA-N 400.527 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540897412 IKZWAMVLECKHHD-HOTGVXAUSA-N 423.583 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCN(C(C)(C)C)CC1 1540908457 HAAPIFWAYNBFTD-UHFFFAOYSA-N 413.588 1.726 30 10 HDEE COC[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555369379 GIDUZPAEWUCQQB-MJWGMMHASA-N 402.499 1.476 30 10 HDEE COCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1555723835 FNVGEEWLEYOQOR-LJQANCHMSA-N 415.494 1.866 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1556822790 CTFMJJUECDXWSE-SFHVURJKSA-N 414.510 1.153 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)s1 1557082939 ASKMOKRUCWMIIX-WBMJQRKESA-N 409.464 1.199 30 10 HDEE C=CCN(C(=O)Nc1cc(=O)n(C)cc1Br)[C@@H]1CCS(=O)(=O)C1 1563347991 BTOXRIRSHFJIMR-SNVBAGLBSA-N 404.286 1.355 30 10 HDEE C#CCN(CC(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1)C(=O)OC(C)(C)C 1566315480 GNMRYHPOLYBXOM-INIZCTEOSA-N 406.479 1.538 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1587766413 TVWRCZHLLAGYBP-MRXNPFEDSA-N 409.556 1.494 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1587905051 TYFSBTBVIYICMV-UHFFFAOYSA-N 412.469 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1588174222 TWMITQKLJGCUEB-SFHVURJKSA-N 407.522 1.962 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc3ccc(Br)cc3c(=O)o2)CC1 1588261732 JSZIEXBXZXUVHO-UHFFFAOYSA-N 404.220 1.754 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN2CCC)CC1 1588848673 KNPGHUSEJUHYCA-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2c(C)nn(C)c2C)CC1 1588848826 NTLSRGJGVKZCOB-UHFFFAOYSA-N 404.522 1.418 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1593873545 ZPMMSQPNTIUZDM-AWEZNQCLSA-N 420.861 1.928 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(N)=O)C1 1594798026 MJTJXQJGJDSCIL-INIZCTEOSA-N 413.478 1.621 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc(OC)cc2C1 1595530214 WZLXMDKASSKQQN-UHFFFAOYSA-N 407.478 1.552 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602859 SRHKLBXSEROGSW-UTKZUKDTSA-N 403.527 1.857 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1597054144 ZFUYERHPFHVIGG-ZDUSSCGKSA-N 408.384 1.220 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2=O)n1 1598185092 IAPUFBKUDMWYIX-GOSISDBHSA-N 404.430 1.658 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)COCCO1 1611804179 MIRFIKNBVYDDNP-APWZRJJASA-N 423.539 1.116 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1614955963 GBKPHQIXFYTRIC-KRWDZBQOSA-N 423.477 1.374 30 10 HDEE CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C 1615865298 HXRWYVPPENJNKL-HUUCEWRRSA-N 418.523 1.224 30 10 HDEE C[C@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CN1CCN(C)CC1 1615912290 SAJQOSGRVUXYOB-GOSISDBHSA-N 406.571 1.637 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cc1 1617895832 UKQFSXLCWGHUOA-HXUWFJFHSA-N 419.503 1.431 30 10 HDEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1620072689 MKMQPFMZLIQAJR-IBGZPJMESA-N 420.445 1.501 30 10 HDEE C=C[C@H](C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 1623741114 HTPUFYXWTYOHOY-QUCCMNQESA-N 421.545 1.919 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccco3)C2)C1 1625112993 ZPHQAXOOHOIUQF-DBWCEAHUSA-N 416.478 1.912 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC)c1 1625144502 RKNMCVDULZLQIG-SFHVURJKSA-N 401.488 1.238 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1 1630175330 PCHALTKRQHOVAS-UHFFFAOYSA-N 411.462 1.846 30 10 HDEE C#CC1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 1630856604 MFXKWBNVXVQUNE-UHFFFAOYSA-N 407.215 1.752 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1630988096 PMRXWTDFZCWQSM-QWHCGFSZSA-N 409.936 1.563 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC1(c2ccc(C#N)cc2)CCC1 1631228382 UTXGBHAWFWLLCX-AWEZNQCLSA-N 415.519 1.771 30 10 HDEE Cc1oc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1S(=O)(=O)N(C)C 1632328406 FMJXQCHNTLYQDA-UHFFFAOYSA-N 420.466 1.812 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 1633739289 RLAHBSCIFNRUIW-LALPHHSUSA-N 419.425 1.793 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OCC)c1 1634288302 PJGGKDCKTPVNJF-DOTOQJQBSA-N 410.492 1.382 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634987174 YUOKQODBWOCAKX-UTKZUKDTSA-N 402.470 1.788 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cn(C)c2ncccc12 1635927553 XALOXIHFECFDKS-CQSZACIVSA-N 411.487 1.471 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCCC2(C(=O)OC)CCC2)c1 1636825141 YPLGSRFFRRMUJT-UHFFFAOYSA-N 406.504 1.842 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)cc1 1636957856 IZMNHBVUJZTVON-KOMQPUFPSA-N 421.519 1.631 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(F)c(Br)cc3N)C2)c(=O)nc1O 1637513335 NNXKGXWDEZIXRM-UHFFFAOYSA-N 408.187 1.001 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)n[nH]2)c1C 1639950473 QWCCFQZVEFFPGK-LJQANCHMSA-N 419.507 1.106 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1644942964 NFUZJJWBXPOXPL-UHFFFAOYSA-N 400.522 1.646 30 10 HDEE COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1 1645561260 LFBUXWYFILDKHQ-GUYCJALGSA-N 407.492 1.463 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1645781645 OCVDZULBLULTNS-INIZCTEOSA-N 407.511 1.440 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc[nH]c3C(=O)OCC)ccc2c1=O 1647896014 HCOXKPJUFYOVKT-UHFFFAOYSA-N 413.459 1.701 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1CN(C)C 1648764388 OSROQESMGSTZHA-HUUCEWRRSA-N 423.355 1.897 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OC 1648791268 MPIBCELYRQUGQN-MRXNPFEDSA-N 401.419 1.119 30 10 HDEE Cc1nc(=NC(=O)CN2CC[C@@H](c3ccccc3)NC2=O)n(-c2ccc(C#N)cc2)[nH]1 1650820972 YXSFTGBTUBQVPV-IBGZPJMESA-N 415.457 1.964 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1650972113 IWACQPAYZHLQJY-LLVKDONJSA-N 413.219 1.324 30 10 HDEE Cc1ncc(I)c(N2CCN(c3cc(C#N)ccn3)CC2)n1 1651295781 OARUAZQCYHICJA-UHFFFAOYSA-N 406.231 1.983 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccccc1C#N 1652921660 FKVWZUJTETYYAJ-OAQYLSRUSA-N 424.501 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(F)cc2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1654986558 IOXCWTABWIBXRR-SJORKVTESA-N 409.483 1.916 30 10 HDEE Cc1c(Br)cccc1C[C@H](CO)CNc1c(C#N)c(=O)n(C)c(=O)n1C 1655477610 HBILQRMRMWQPAF-LBPRGKRZSA-N 421.295 1.290 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC=C(Cl)Cl)CC2)cc1 1661280487 AIAODYNTWIKOEQ-UHFFFAOYSA-N 424.331 1.513 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1 1666080664 QVHYDCVMJSNGJJ-UHFFFAOYSA-N 400.435 1.894 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2-n2cc(C)cn2)CC1 1668138318 MIZUJPJZKYIVBB-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OCC 1669266438 DKKNSJFMRUYEHP-LLVKDONJSA-N 402.856 1.847 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(C4(O)CCOCC4)CC3)C2=O)cc1 1672352196 DUHMZDPOCDFWBF-GOSISDBHSA-N 412.490 1.280 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1 1672906473 BYMCZVIUSZLRBB-SJORKVTESA-N 402.561 1.414 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 1673878856 OIIFZPCQNVBMNG-UHFFFAOYSA-N 408.377 1.462 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1680708773 GBVGBELYLGYXDL-CAIZAGQASA-N 403.504 1.734 30 10 HDEE N#Cc1c(CCCNC(=O)NCCOC2CCOCC2)nn(-c2ccccc2)c1N 1685367441 DMHOOEFJFQXGSG-UHFFFAOYSA-N 412.494 1.754 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCc1nc(CC)no1 1686259948 YELLDCNWKGUHJG-MTSZKFMLSA-N 402.495 1.794 30 10 HDEE C=C[C@H](C)ONC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1686939795 QVQAQHHKFNGUSP-XQLPTFJDSA-N 410.471 1.717 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1689873333 FEKONVVTCBOWQR-MWTRTKDXSA-N 423.517 1.827 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1689907887 PBSPQQSMCPBMTN-UHFFFAOYSA-N 404.515 1.887 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1690063747 NZNXXQABDPDHDB-UHFFFAOYSA-N 424.548 1.243 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@H]2C)CC1 1690153999 GSFVZJMNLYYATG-NZSAHSFTSA-N 415.538 1.768 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)CC1 1690169940 TXKAVBFTIFLDOX-UHFFFAOYSA-N 400.552 1.941 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1690299458 RZVOHMRKUQPKMJ-GOSISDBHSA-N 420.558 1.310 30 10 HDEE C=CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1690545279 NDVZPSCQSRUIBE-HKUYNNGSSA-N 416.570 1.880 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1692662567 IBAPWLAEMXRPLB-NWDGAFQWSA-N 409.434 1.845 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)n1 1693428963 ZBUQSAUEFHQUAT-OAHLLOKOSA-N 408.466 1.320 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694823734 STXOQGTZGSLCFA-WBLQZWKMSA-N 414.510 1.933 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NC(C)C 1695765044 GNRDTTCJZUAKEP-UHFFFAOYSA-N 418.523 1.212 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1697588355 WIZBCNPPCBEGTM-WMZOPIPTSA-N 424.505 1.521 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1697669582 JIMGRTMYECNJQW-FWWJWKNHSA-N 402.499 1.789 30 10 HDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 1705528924 XCZLIZGXUSJCKY-UHFFFAOYSA-N 424.549 1.552 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705553218 NJBNCJOMPJSZEX-IRXDYDNUSA-N 412.494 1.274 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1705566096 XQXGCNGCXFSLNW-QGZVFWFLSA-N 403.508 1.393 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1705566317 NCSKSTFDSCDNRC-HOTGVXAUSA-N 407.540 1.292 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570837 SBOCMCIAWPCHPT-INIZCTEOSA-N 423.583 1.266 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)CC 1705584316 GITGLYXAOCTEJJ-UHFFFAOYSA-N 400.504 1.385 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(=C)C 1705593112 GQYPJRHJBZOVAU-UHFFFAOYSA-N 416.489 1.976 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nncn1CC 1705630534 WNQUWYYAFYIBFM-UHFFFAOYSA-N 400.512 1.380 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@@H](COC)OC)CC1 1705637016 GMCSAVQJLGTBOS-IBGZPJMESA-N 420.517 1.910 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705673482 AKUAUBLTQYQRAX-OXJNMPFZSA-N 416.551 1.557 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)C)CC1 1705782446 XDBCFUVHNFNMBB-INIZCTEOSA-N 409.556 1.355 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC)C1CC1 1705854216 IYADCELWDPXWTI-HUUCEWRRSA-N 409.556 1.640 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1705867700 TYXKSJDWZBSJQC-MOPGFXCFSA-N 401.559 1.841 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705898439 LWOPSIDDUDYNSP-MRXNPFEDSA-N 413.478 1.645 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C)C1 1705937726 COKLDUKXMICPOL-KRWDZBQOSA-N 420.535 1.991 30 10 HDEE CCc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709082036 NODVPWSMFYCILV-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE CO[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CC1 1711551516 GSQZKUVTVSATCK-MSOLQXFVSA-N 415.519 1.865 30 10 HDEE COCCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1712379999 WSLLMOXKUYJCCE-HXUWFJFHSA-N 405.547 1.515 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC1 1712452135 BEPUUBHMSFXVSP-UHFFFAOYSA-N 419.507 1.240 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCO[C@@H](C)C2)CC1 1722435530 PHKLXHWKLHSJLM-FQEVSTJZSA-N 423.565 1.596 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(S(C)(=O)=O)CC1 1722501870 QSDSJQOLQKTYPV-YJBOKZPZSA-N 412.556 1.809 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCNS(C)(=O)=O 1722659336 UFLLBXBQIMNLFS-QGZVFWFLSA-N 405.524 1.524 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722694070 KOCJCVDDOMMIOB-QYWGDWMGSA-N 415.494 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCc2oncc2C1 1722726087 ZEWREMRWVGPSQK-UHFFFAOYSA-N 400.464 1.492 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccco1 1730946622 QDETYSGXILDFIC-QHERXFFYSA-N 419.457 1.945 30 10 HDEE C=CCC(CC=C)C(=O)N1CCC[C@@H](N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1740024190 PNSWBJRDILTFDJ-YQPXSLGVSA-N 402.535 1.990 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCCO 1740608448 FOQMEIVKYDILDC-UHFFFAOYSA-N 410.478 1.143 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1740609527 KJYUASWARDWQIZ-OAHLLOKOSA-N 406.483 1.583 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625205 OVNYRBKSPCWZCU-LJQANCHMSA-N 419.595 1.733 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628338 PMYWXSZHKVELMH-ZACQAIPSSA-N 424.567 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1740652563 FBZFXEZUFSVZIL-SFHVURJKSA-N 418.505 1.542 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740661212 VDNCIFJGOJMCBD-HXUWFJFHSA-N 424.549 1.491 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC2CC2)CC1 1740691420 CKCOVOJIURCJGR-UHFFFAOYSA-N 412.925 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1740955370 SHMLLDZRGGMKMR-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CCOC)C1 1740959139 LLGWVJFSJCZCRR-AWEZNQCLSA-N 416.482 1.171 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1740959681 CMSBAXYMFJCQLO-KBPBESRZSA-N 404.496 1.119 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)C1 1740973097 RBTLLCIYIGZMPT-OXQOHEQNSA-N 417.514 1.277 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)C1 1741985487 YOZDRLDVVOJSNS-XGHQBKJUSA-N 416.526 1.945 30 10 HDEE CCOC1CC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)C1 1746957006 JKOOZVWOYFPKRH-WCGZIJFHSA-N 416.482 1.674 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1748930048 WOUAXCOEMWPNNC-HNNXBMFYSA-N 423.395 1.929 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCN2CC)CC1 1748990967 NOXNPRMPDDGNGZ-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCOCC2)CC1 1749015522 XYIYKMFMTJQGAR-IBGZPJMESA-N 415.538 1.565 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1749219694 PNZDALSTJQHIJL-OAHLLOKOSA-N 413.478 1.933 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749230232 VLFVIMYNFMLBEK-BBWFWOEESA-N 405.499 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749664094 GHXYNXUYCVKIKN-INIZCTEOSA-N 414.485 1.691 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(C)C)CC1 1749676115 FBVYIIUWIYWTKG-UHFFFAOYSA-N 417.583 1.714 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H]1COCCO1 1750139264 KYYBWOLEMFPVPM-IUVQAAGXSA-N 409.462 1.250 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCC(=O)N(C)C)CCOC1 1751006805 KJJHDVKWYBRYLZ-UZLBHIALSA-N 406.531 1.925 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1752561191 CZLXCWPIIVCIMK-DBSRCYSRSA-N 418.542 1.340 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN1CCc2sccc2C1 1760095036 DMJQHACIOHSHQL-OAHLLOKOSA-N 400.552 1.994 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760113402 UMYQLCQEGPBYAJ-GOEBONIOSA-N 403.508 1.196 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CCOC 1760114612 PTRIAOJPCNFECH-QKKBWIMNSA-N 410.478 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)N1CCOCC1 1760199095 OZPDOULLARWEGE-UHFFFAOYSA-N 421.501 1.857 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1760222278 FAJTXUSJPPSXHL-UHFFFAOYSA-N 408.506 1.632 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC2CCCCC2)CC1 1760252167 MQBYWAQZTAJXDR-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C/C=C\CC)CC1 1760268608 MLYGIJPEPAPBLH-WAYWQWQTSA-N 424.505 1.938 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760387454 NQRAZVLGLJBWAH-INIZCTEOSA-N 410.540 1.268 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(NC(C)=O)CC1 1760524561 BALZLRISRMLULC-UHFFFAOYSA-N 414.485 1.415 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCCCC[C@H]21 1760527425 WSBHFSIMXVTWOW-IAGOWNOFSA-N 400.527 1.862 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)nc2)C1 1760544785 HDVXLCJJSIUONR-INIZCTEOSA-N 408.466 1.002 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)C1 1760590609 HGXHFFUPOWJNNT-YJBOKZPZSA-N 423.521 1.775 30 10 HDEE CC(C)NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1761267320 BRYQTQOFKFWLGJ-UHFFFAOYSA-N 424.553 1.985 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)CN1CCOCC1 1764908868 AAYWGUDZDILCTN-SFHVURJKSA-N 424.553 1.402 30 10 HDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1766527922 HNNCPKVXYIQVOF-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCCC1 1768969438 GXSIMVMKLRFGMM-UHFFFAOYSA-N 416.551 1.783 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1770054325 YNWCOKRWUAQHOX-KZNAEPCWSA-N 420.558 1.851 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770727133 CEZAWZBGULSPCK-BONDDZEJSA-N 422.424 1.308 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)cc1 1770733336 YIFVQUNZBQHCJA-RTBURBONSA-N 424.505 1.714 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](COC)C2)n1Cc1ccc(C#N)o1 1771243568 ZGFUTSPVVYSZHP-PBHICJAKSA-N 405.455 1.367 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1C[C@@H]3CN(Cc4ccccc4)C[C@H](C1)O3)OCO2 1851282843 YUAJPZBXLGRGFC-BGYRXZFFSA-N 405.454 1.941 30 10 HDEE COc1ccc(-n2nc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)nc2C)cc1 1852625485 WTYSPUHCMYPVNM-KRWDZBQOSA-N 406.402 1.828 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)NC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1 1852713509 XGJVASNLEFNBBO-CXAGYDPISA-N 410.879 1.390 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccnc3nccnc23)cc1 1853079310 KRTKUIKKUXYRBP-GOSISDBHSA-N 419.441 1.833 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)OCO2 1853223641 ZUXCYEMYVDVTKW-UHFFFAOYSA-N 403.338 1.700 30 10 HDEE Cc1nc(C2CN(C(=O)CCON=C(N)c3ccc(Br)cc3)C2)no1 1853441163 YZTXLGFRNHMOLN-UHFFFAOYSA-N 408.256 1.794 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN([C@H]3CCS(=O)(=O)C3)c3ccccc32)ccn1 1853672839 WZYKLJGQEJNNNZ-INIZCTEOSA-N 410.455 1.524 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(C[C@H]2CN(C(C)=O)CCO2)C2(CCCC2)C1=O 1854211363 VCYBSOFFWZGKTA-PKOBYXMFSA-N 405.539 1.820 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1854693966 LRALOFVHYLGKQP-VIFPVBQESA-N 423.800 1.885 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCN([C@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854997814 HTXKXHLVWFQGRF-AEFFLSMTSA-N 408.506 1.694 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1855063583 HCDBELAAPMUOLN-SFHVURJKSA-N 423.579 1.464 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(c4ccccn4)CC3)CC2=O)cc1 1855157527 MTQBMDNMIBFCTG-HXUWFJFHSA-N 403.486 1.693 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2=O)CC1 1855163243 LGVHAGVXUSLBEL-IBGZPJMESA-N 410.478 1.601 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)n(C)n1 1856347592 PPGUIHSPEPYOMN-HNNXBMFYSA-N 412.519 1.221 30 10 HDEE N#CCCCN1CCN(C(=O)C2CN(c3ncc(F)cn3)C2)C(=O)C12CCCC2 1856530804 AYANPAVEQDMMAA-UHFFFAOYSA-N 400.458 1.339 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCC#N)C2(CCCCC2)C1=O 1856621129 KIAXFYMRIILQOH-MRXNPFEDSA-N 410.540 1.088 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1=O 1856820189 OSLVNTMKNWQCJH-INIZCTEOSA-N 423.510 1.534 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccccn4)nn3C)C(=O)C2)C1 1856843129 BQLLVBTVTVNIHG-QGZVFWFLSA-N 408.506 1.417 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CC(=O)N3CCCC3)C3(CCCC3)C2=O)cc1 1856890332 XETYMKBDNGLGRS-UHFFFAOYSA-N 408.502 1.707 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CC1=O 1856932419 GYMBGXUSTBAEAR-SFHVURJKSA-N 400.479 1.456 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cn1cncn1 1856994251 JEJGASGFSUIQKW-HNNXBMFYSA-N 415.475 1.123 30 10 HDEE COc1ccc(C#CCSCCOC(=O)C2CCN(S(C)(=O)=O)CC2)cc1 1857365876 XGZAIUXHCUCVAU-UHFFFAOYSA-N 411.545 1.995 30 10 HDEE N#Cc1c(Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)ncc2c1CCC2 1859861109 YSOVFSXUSLNMMY-SFHVURJKSA-N 401.426 1.947 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2C(=O)COc3ccccc3C2=O)nc1C 1866041374 MDNUXQCKAZTPOV-UHFFFAOYSA-N 415.427 1.794 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689057 QAAGCVYXKZAGAK-OKILXGFUSA-N 400.483 1.688 30 10 HDEE C=CCn1c(C(=O)NCc2ccccc2F)cc2c(N(CCO)CCO)ncnc21 1873595674 MVYMOHUJVWTRAT-UHFFFAOYSA-N 413.453 1.477 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccncc2)o1 1874433766 XGOTURJVQMDFLR-ZVBGSRNCSA-N 414.447 1.863 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2034577526 LHENEWQGUSXORN-CABCVRRESA-N 406.504 1.938 30 10 HDEE O=C(CSC1=NNC(=C2C=c3ccccc3=CC2=O)O1)Nc1ccc([N+](=O)[O-])cc1 2069371664 YDANVJHQQNWAQY-UHFFFAOYSA-N 422.422 1.213 30 10 HDEE C#CC[C@](C)(CO)CNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2140708862 KUWPHZATRQZDQT-NYVOZVTQSA-N 402.491 1.941 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](NS(=O)(=O)CC2(C#N)CCC2)(C(=O)O)C1 2166304151 NGZJQVJLWRYQNP-QGZVFWFLSA-N 401.485 1.454 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](F)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174782975 XAUFCFYMNBJMEP-ZIAGYGMSSA-N 405.492 1.574 30 10 HDEE CC1(C[S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2192674751 VBSLCASFAUNOBY-WHDAMIPWSA-N 420.557 1.431 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCn2cnc(I)c2)s1 2228834166 HWKBALGDZYRRSK-UHFFFAOYSA-N 408.246 1.399 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CCCN1C(=O)OC(C)(C)C 2233087793 QJWWBEQPYMLNQY-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(=O)O 2243057460 VRSLNKRHIVQMDE-ZDUSSCGKSA-N 408.260 1.738 30 10 HDEE Cn1ncc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)c1I 2245256695 HLEFPHFAQIYKNQ-VOTSOKGWSA-N 417.056 1.942 30 10 HDEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)F 2258177168 ZDSATQUWPQRNSI-CXAGYDPISA-N 420.434 1.885 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]4C3=O)cc2Cl)OC1(C)C 2267353494 DRJBSCPAMKBOGG-DTWKUNHWSA-N 403.718 1.868 30 10 HDEE CN(CCO)S(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267467397 CKCWMFRBKSAAPO-UHFFFAOYSA-N 410.128 1.905 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H]1CO 2282318856 LSKRJEFHRYGNRO-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE C[C@H]1[C@H](N)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282491179 KQMSWJKLVMZUMG-SMDDNHRTSA-N 400.737 1.749 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282493114 RVWFRXAGNUVXJO-UHFFFAOYSA-N 414.383 1.323 30 10 HDEE CC(C)[C@@H](N)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282496316 YSPVXWZDNIEQRU-AWEZNQCLSA-N 402.391 1.840 30 10 HDEE C[C@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282511628 NWCILFFDQLQGMF-SSINHNECSA-N 421.777 1.685 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H](CN)C1 2282832642 QMXHLZQEBMKEKK-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@H](N)C2)OC1(C)C 2282833056 ULWGTOBDQXZWAO-LBPRGKRZSA-N 401.363 1.085 30 10 HDEE CC1(N)CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282839875 BSEHKFBBFGSRTH-UHFFFAOYSA-N 400.737 1.797 30 10 HDEE C[C@H]1CC[C@@H](CN)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852755 TUVHFJAQEIHBGF-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1N 2282853848 KCZBTWCCYWIMPH-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC(F)(F)C2=O)OC1(C)C 2282871829 MJTPWNWLSKOAGB-UHFFFAOYSA-N 407.269 1.745 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@](C)(C(=O)O)C2CC2)OC1(C)C 2284399585 MBUNNOZCCOQIMB-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](CC(=O)O)C3)s2)OC1(C)C 2284403438 QMPRYMIQZFUPFZ-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCO[C@H](P(C)(C)=O)C2)OC1(C)C 2289231010 CQZSJMSJHQIGAE-LLVKDONJSA-N 400.246 1.864 30 10 HDEE C=C1CC(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2338848620 YLZZGBVIPIPJKG-UHFFFAOYSA-N 420.487 1.936 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2339672186 OLMLLPMQWODKIX-RXVVDRJESA-N 422.547 1.565 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2362501355 RDMRMBGTPMMYAF-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE COC1(C#C[C@H](N)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCCCC1 2363724910 IULIIWWHMSRJQK-HOTGVXAUSA-N 402.557 1.994 30 10 HDEE C#C[C@H](C)N1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364057261 ZCSFIOQNDPBIHI-VIFPVBQESA-N 404.106 1.725 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2365203114 HRPXNZHVRXCQKA-HOTGVXAUSA-N 402.557 1.409 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365205208 SNHJMODVHJOAAJ-OWCLPIDISA-N 404.573 1.688 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365210915 ZXUCJKBYSVNVLH-INIZCTEOSA-N 401.573 1.377 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2366094205 KICKSZZZKYXWSZ-IRLDBZIGSA-N 412.490 1.243 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367800472 JXHWEPIWCGXSJY-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC[C@H]1C 2367827298 GONSTQBFUHDNDW-SPYBWZPUSA-N 400.541 1.163 30 10 HDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1 14028897 BZGZZFDMDPBQMF-UHFFFAOYSA-N 411.553 1.822 30 10 HDEE Cc1cc(C)nc(N/C(=N\C(=S)NCc2ccco2)NCCN2CCOCC2)n1 14158251 JCYLOLNIZXITKE-UHFFFAOYSA-N 417.539 1.451 30 10 HDEE COc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 30980628 HFBWQMDONPUXFT-UHFFFAOYSA-N 414.487 1.783 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)[C@H]1CC(=O)N(c2cccc(OC)c2)C1 96348684 OKVGRLLZIBUETQ-KRWDZBQOSA-N 405.454 1.576 30 10 HDEE CCOc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1Br 169884324 KLGLDIFXWWFNIZ-XDHOZWIPSA-N 415.357 1.978 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1 238843515 HZPXPTBQLYVBRO-YJBOKZPZSA-N 421.457 1.780 30 10 HDEE N#Cc1cncc(-n2cnc(I)c2I)n1 401286582 ONLDHVLHARXRHH-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC1CCN(C(=O)c2ccc(OC)cc2OC)CC1 409569442 FLVUVKMWISNQCJ-UHFFFAOYSA-N 424.523 1.378 30 10 HDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409824852 QOZZBOKIODGRPA-CXAGYDPISA-N 416.869 1.423 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N 427786528 RMPMFMDYNXVKNG-UHFFFAOYSA-N 406.489 1.847 30 10 HDEE CC(C)CN(C(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCS(=O)(=O)C1 428810123 XMPHZCFMSOOLRV-ZWKOTPCHSA-N 420.535 1.078 30 10 HDEE N#CCCC[C@@H](NCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 433015089 VGAXARVEKMDOQO-VQTJNVASSA-N 418.563 1.342 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 437475183 BIQWDLUJLNBQLO-ZACQAIPSSA-N 411.524 1.790 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)n1 439018823 FDFFFTCIDASWPP-HNNXBMFYSA-N 410.482 1.956 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 461137125 ASFWJCFVLSZMDM-SZVBFZGTSA-N 424.505 1.998 30 10 HDEE CC1(C)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCS1(=O)=O 464864057 FKOFJHYHFBTZFP-UHFFFAOYSA-N 402.438 1.682 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 467287129 DQJKYWYOKPQTTR-WWNBULGVSA-N 416.547 1.730 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 472867040 BBLXSSOHRJWCJB-OAHLLOKOSA-N 409.471 1.931 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCc3nnc4n3CCC4)CC2)c1 478118735 RBTCFXQKLOLZGS-UHFFFAOYSA-N 407.478 1.699 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 484923457 FNYVAGURBFWZSV-AUUYWEPGSA-N 415.471 1.531 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cnc4ccccc4c3=O)C2=O)cc1 485994642 SCQSVVVZOCZYEZ-IBGZPJMESA-N 401.426 1.185 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 491323372 OFXZBSUACHQOPV-UHFFFAOYSA-N 418.475 1.490 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1 510097259 CRHPSQILDLWOOW-IBGZPJMESA-N 411.483 1.785 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 513537317 WYKLYXWQSPFXIR-UHFFFAOYSA-N 401.275 1.912 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 517696158 XQTBOOCVEICGCC-GOSISDBHSA-N 403.504 1.334 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-n3ccnc3)nn2)cc1 522584061 IRMZVWVZJKAEHL-INIZCTEOSA-N 405.443 1.688 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 523838262 XMDLROVPEGWNNL-DENIHFKCSA-N 419.485 1.830 30 10 HDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 533147872 BSJMIBAEFZBIMS-CQSZACIVSA-N 407.517 1.672 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c1C#N 534795170 CIFWWNFLYJMXNS-CQSZACIVSA-N 422.536 1.287 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](O)C2CCOCC2)CC1 536608932 QYICRYRKMQCVQH-MSOLQXFVSA-N 422.323 1.945 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 541244933 FNOIKMOILIRAMH-GOSISDBHSA-N 422.489 1.708 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C1=O 542690803 LDROHQQWSTVYGO-KRWDZBQOSA-N 403.504 1.319 30 10 HDEE CN(CC(=O)Nc1cccc(F)c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 549821005 KVHODTCGSMZLFC-UHFFFAOYSA-N 404.423 1.073 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 558806067 VUSKTRMSHIBZQQ-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE Cc1cc(N2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)n2ncnc2n1 559000956 MMKIFVVIOODRCR-UHFFFAOYSA-N 416.367 1.681 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC1 562086530 NJRLTGIFIYZJHR-UHFFFAOYSA-N 419.429 1.923 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H]3CCCO3)CC2)n1 564351407 SWHQVRMEJTYZJE-WMZOPIPTSA-N 409.494 1.554 30 10 HDEE CC(C)[C@@](C)(CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 574322903 TUOHALMORQRVPY-HXUWFJFHSA-N 401.467 1.451 30 10 HDEE Cc1nc2ccc(S(=O)(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc2s1 579105288 BVLREHFHQWQYHV-UHFFFAOYSA-N 404.477 1.837 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 612193602 VPPVGLHPTRIMQV-SFHVURJKSA-N 417.490 1.870 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2CCC2)cn1 730144927 USUVJDJARIZDON-INIZCTEOSA-N 406.556 1.703 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1nc(CN2CCCCC2)cs1 732233266 AOBIJGRDRQDCCU-FOCLMDBBSA-N 404.496 1.777 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 743178295 FMTAJMMYLIFJEA-OAHLLOKOSA-N 421.523 1.540 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2cccnc2c1C 743916890 AMFNXOWTURIPRG-VHEBQXMUSA-N 407.430 1.433 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 764419809 WIYFJHJBSGULAF-SZGQWAQFSA-N 421.498 1.458 30 10 HDEE CN1C(=O)C[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H]1c1ccc(Cl)cc1 768760799 ZPXOADYMOOMJBX-AOIWGVFYSA-N 401.898 1.994 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc2c(=O)c3ccccc3[nH]c12 770472836 YIBRMTNUJZNXFW-ZBJSNUHESA-N 402.410 1.938 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C)cc1 771082132 XVAQRRZXPHNPSI-NVXWUHKLSA-N 405.476 1.354 30 10 HDEE Cc1cc(Br)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)c1 772279962 XHLZKLWZVUORNM-UHFFFAOYSA-N 418.316 1.299 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2cccc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774221624 RYIBHBFDJXAPKF-SJLPKXTDSA-N 405.520 1.496 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 787062309 ZYDJCIGNWBHYFV-HKUYNNGSSA-N 420.425 1.969 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nc(N)nc(Nc3ccccc3C)n2)n1 789320693 AQJNAHKYUWPHMC-UHFFFAOYSA-N 406.494 1.984 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CCCN1C(=O)OC(C)(C)C 790741306 GHXNXGGWVCNKNT-BEFAXECRSA-N 415.556 1.872 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1C 790834550 DOFCCXLAMAUMEI-NSHDSACASA-N 424.313 1.708 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCn2cnc(C#N)n2)C1=O 795176654 JVKVQAZLIUZABS-CYBMUJFWSA-N 401.427 1.057 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 798036680 MUHSZDVKXXQRER-OHEPNIRZSA-N 415.490 1.868 30 10 HDEE C=CCN1CC[C@H](OC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1=O 798595585 OJAVBUDRZFQLSC-AWEZNQCLSA-N 423.263 1.895 30 10 HDEE C=CCCCCCCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 811927051 HNKWULMDFSJFHQ-UHFFFAOYSA-N 402.561 1.417 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812026799 OPBKHEOXKDCMMN-OAHLLOKOSA-N 404.492 1.609 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ncc(Br)cn1 814349045 BMDLDTYPRAQIHL-VIFPVBQESA-N 424.280 1.155 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 916711192 RDEXXUWWZNPTMB-MMOSJZJFSA-N 408.480 1.526 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1125306798 OVCSDNYTIJXQLW-UHFFFAOYSA-N 415.500 1.837 30 10 HDEE COC(=O)[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCSC1 1127829483 FHXDPKSPQOZLDJ-KZULUSFZSA-N 407.879 1.729 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)nn1 1130121858 CGYRYLJAPAPVJY-CQSZACIVSA-N 409.537 1.551 30 10 HDEE CSc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 1133501317 UZYGHQVZELKYNL-UHFFFAOYSA-N 400.485 1.635 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1141883064 HVVJBBNZAOGKLG-UHFFFAOYSA-N 410.496 1.098 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2I)CC1 1147283226 FGQCXEIWNWCNQT-UHFFFAOYSA-N 413.215 1.981 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1154247069 NDCNLKWQQLSUIH-ZMYBRWDISA-N 413.540 1.857 30 10 HDEE C=CCOC[C@H](NC(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1155780009 WUPJPQOMNCEVQS-AWEZNQCLSA-N 400.472 1.263 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)C(=O)OC 1161365246 QKFXBMFVQIUCRT-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE CC#CC[C@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 1164673481 QSLDOUTVEJGWAQ-MRXNPFEDSA-N 411.487 1.964 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1cc([N+](=O)[O-])cc(Br)c1=O 1165850555 LCGMHRUCVDATOJ-UHFFFAOYSA-N 416.187 1.819 30 10 HDEE C=C(CO)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1167640973 XXOLNUXTSMCGDR-INIZCTEOSA-N 419.526 1.721 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(C)C 1198027429 POGQPGRLPRWCHQ-UHFFFAOYSA-N 403.548 1.352 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(C(CC)CC)c2CC)CC1 1204610481 LSBWELOHBWEQKW-UHFFFAOYSA-N 410.544 1.424 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)c1 1212126221 MPSKSTBBPPGNNR-KRWDZBQOSA-N 424.519 1.296 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1213427582 GPKRFVQAOTYOQE-UHFFFAOYSA-N 417.556 1.910 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 1225939201 WSQBKJDQOKHAQP-CHWSQXEVSA-N 400.501 1.012 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1254564214 DIFHEKITTQGJLS-MRXNPFEDSA-N 414.549 1.827 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1276638498 WRGBWESNGBHJMR-ICSRJNTNSA-N 420.531 1.997 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1286430706 IUDKBASCYAMGRR-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1286434414 ZCNGTKBAAYFZFV-MBSDFSHPSA-N 419.485 1.732 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1286479923 QLRSWDPVVYVUNZ-UHFFFAOYSA-N 413.547 1.753 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1286509407 PVQDDMCSOLBSPY-QZTJIDSGSA-N 405.568 1.307 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286783466 RTHXZWXEIPSKKG-OAHLLOKOSA-N 416.913 1.863 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1287779867 YVXSYKTYRJCTTC-HNNXBMFYSA-N 414.455 1.084 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2cnnn2C)CCOC1 1288311811 FWALUYLCPNIBFM-UXHICEINSA-N 414.514 1.626 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C 1288606478 DSIJUAZYSUYHJJ-QAPCUYQASA-N 416.551 1.780 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)s1 1290681699 NTEJKJVCNVSWPU-GXTWGEPZSA-N 423.568 1.569 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1291596135 MRNGTDZELDDXFS-IEBWSBKVSA-N 423.535 1.231 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C=NOC)c1 1293325302 QOYVHUGDYCPSBI-UHFFFAOYSA-N 411.528 1.040 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1295930189 TUEDZGUGWFLBCB-SJORKVTESA-N 419.478 1.794 30 10 HDEE COc1ccc(CN2CC[C@H]2C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1296471871 JSEBHGGBVAQHQT-FQEVSTJZSA-N 408.506 1.532 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1300429775 CCVHJAVZRKIFRZ-ZDUSSCGKSA-N 411.915 1.690 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCOCC1 1300456118 UZIFCPZEAVPNKE-QGZVFWFLSA-N 414.510 1.432 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1300499618 VPDSRJMHHDWCKH-MRXNPFEDSA-N 418.519 1.555 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1 1300538612 SUSFLVOYBLYELQ-MSOLQXFVSA-N 412.515 1.721 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1300572662 ZJZZMBVJELNDRV-FQEVSTJZSA-N 416.478 1.097 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCCC 1300591644 UFPMEWQBPSUSIT-UHFFFAOYSA-N 412.519 1.259 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@@](=O)CC)CC1 1300696037 RMHJDYXQWQORQY-PMERELPUSA-N 424.574 1.961 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OCC=C)CC1 1300698099 NDZYMFNUGBLJTM-IBGZPJMESA-N 420.517 1.598 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300839474 IDDXIADMFSGIDW-NWDGAFQWSA-N 409.244 1.701 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc[nH]n1 1300971071 CRKDXUOSMSBREN-UONOGXRCSA-N 422.482 1.520 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300996329 DCRMNGVUHBSLGO-IRXDYDNUSA-N 416.482 1.847 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301196760 JHUKMZIFVDHDFA-HZPDHXFCSA-N 424.571 1.446 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1sc(C)nc1C 1302311208 JGQGLMLKAXMILI-UXLLHSPISA-N 418.523 1.853 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(OC(F)F)cc2F)cc1 1302517536 OJTZMLNWVAERAR-UHFFFAOYSA-N 413.377 1.893 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(COc2ccccc2C#N)o1 1302831254 AMDGAOPACIQPGR-OAHLLOKOSA-N 400.387 1.765 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCOCCCO)c1 1302982244 HMAVQXHMOJKEAQ-OALUTQOASA-N 424.505 1.463 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1303066369 CWKKAGPASLYSHM-MRXNPFEDSA-N 424.571 1.471 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)c1 1304034182 NGGRDYPKPLCPNJ-MRXNPFEDSA-N 421.519 1.680 30 10 HDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1=O 1304489700 GAYNLCDYUAHYHZ-KBPBESRZSA-N 401.536 1.419 30 10 HDEE C[C@@H]1CC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1304931496 CXZJUDHSOLEKBR-BFYDXBDKSA-N 402.499 1.446 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1305630949 GRXCEJYCEDBIKH-OAHLLOKOSA-N 414.535 1.690 30 10 HDEE CCc1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306144642 VCGAEXWGOBEIAP-VHEBQXMUSA-N 401.515 1.334 30 10 HDEE CN1CCn2c(CN(C)c3nc4c(c(C#N)c3C#N)CCCCCC4)nnc2C1=O 1307207994 CCCKHXJHYHNMEC-UHFFFAOYSA-N 404.478 1.797 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 1309888263 RAALNPZXFLXMEU-RVWIWJKTSA-N 400.500 1.973 30 10 HDEE C#CCOc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1310304343 ZPOPKWXICNVYLL-SHBDPFAUSA-N 405.476 1.031 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H](O)Cc2ccccc2F)C1 1312468965 JECZPCVRHAENMW-ZMSDIMECSA-N 406.458 1.787 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3ncc4c(n3)CCOC4)CC2)c1 1312946874 QQZAMEIUWLANRA-UHFFFAOYSA-N 406.490 1.885 30 10 HDEE CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1315182768 PDYJUJWRZQTMKV-HFAKWTLXSA-N 404.368 1.639 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Cc1ccc(Br)cc1C#N 1356127033 ZTQWLUNIVCRNLO-HNNXBMFYSA-N 414.325 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@H]1C 1358871409 FCGZITNFKVXRLC-QZWWFDLISA-N 411.572 1.942 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1358887125 PWFJQPQSWQUISW-ZFWWWQNUSA-N 407.478 1.631 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)C2CC2)c1 1358902715 XCORTNLRHYCRKA-GAJHUEQPSA-N 423.517 1.999 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 1358930634 ZHTFWSZAGOJIMT-KURKYZTESA-N 421.567 1.793 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1358948391 BJYABDHXPNQWOZ-SJLPKXTDSA-N 413.547 1.701 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1358957494 VGIARTTYVJLJIS-FQEVSTJZSA-N 424.530 1.642 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1nc(C)cc1C 1358970044 DBQCASQPQFRGEU-JOCHJYFZSA-N 410.522 1.907 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1conc1COC 1358992194 CZVCCVMBLAAPDE-UHFFFAOYSA-N 422.445 1.651 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1359013227 PUDIMLSJZONOHX-UHFFFAOYSA-N 412.586 1.627 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCC[C@H]1C 1359023188 CNKJWRSEGNMGEF-QVKFZJNVSA-N 415.494 1.643 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1359024200 HGPHUZNPQUPCKN-ADKAHSJRSA-N 424.567 1.471 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](COC)OC)CC1 1359038759 JODSOPDYAMMKLT-HXUWFJFHSA-N 424.505 1.145 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)C(=O)NC)CC1 1359043766 HTQJAVCKTSNLII-UHFFFAOYSA-N 411.510 1.011 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(OC)C2CC2)CC1 1359047667 OPTRAVQHCCOLNM-GCJKJVERSA-N 415.538 1.911 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1359225793 LBOKJYMUBRKKIB-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359289178 HYERSBGVNKPAJM-AWEZNQCLSA-N 401.471 1.671 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCOCC1 1359333519 ZZQXBEJQUUPILC-QGZVFWFLSA-N 420.491 1.228 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359872328 BIVQJKAZLKJAIY-FFCCVRBZSA-N 402.499 1.210 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(C(N)=O)c2ccccc2)s1 1445652493 DXBBOWJQVRLXEW-GOSISDBHSA-N 407.517 1.272 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1-c1ncc[nH]1 1451202486 GVXPGANMPLOJKS-AWEZNQCLSA-N 409.471 1.932 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 1451873547 LICWAZWGIXZGOW-INYNLVPPSA-N 405.357 1.232 30 10 HDEE CCOC(=O)[C@@H](CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(C)=O 1452948838 BAPBOXPGESKJDO-SFHVURJKSA-N 423.473 1.755 30 10 HDEE N#C[C@]12CN(c3ncnc4cc(F)c(Br)cc34)C[C@H]1CS(=O)(=O)C2 1458664383 JBHTXHWQOFVQRM-BJOHPYRUSA-N 411.256 1.906 30 10 HDEE N#Cc1ccc(-c2nnc(CN3CCN(C[C@@H]4CCCS4(=O)=O)CC3)o2)cc1 1460635184 FDJHEKUZRYUFSF-KRWDZBQOSA-N 401.492 1.303 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1ccc(Br)cc1 1460786185 OOWBULHXCKVGJY-KSSFIOAISA-N 404.264 1.960 30 10 HDEE N#Cc1c(NC(=O)CN2CCC3(CC2)C[C@H](O)CNC3=O)sc2c1CCCCC2 1460882700 YYBKOLQDXZPPFD-AWEZNQCLSA-N 416.547 1.790 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1463102641 UJIFJVUKKGDRNV-HXUWFJFHSA-N 413.499 1.864 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)c1 1464256871 BMXBXWGILDCUQM-LUHTUZHSSA-N 401.492 1.966 30 10 HDEE COc1ccccc1CC(=O)N1CCC(NC(=O)c2nc(O)c(C#N)cc2C)CC1 1464744939 MREPCMYXWLGERM-UHFFFAOYSA-N 408.458 1.939 30 10 HDEE Cc1cc(S(N)(=O)=O)oc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1467576293 HSOMCFIKLCWSOF-UHFFFAOYSA-N 408.867 1.723 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1468580805 VNAMAOYIXPTDCM-GXTWGEPZSA-N 418.441 1.956 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(C#N)c(OC)c2)CCO1 1470083944 UXXCXKRNCFKSKP-OAQYLSRUSA-N 419.478 1.836 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1470863579 MKNWOKQIQRHXLU-AWEZNQCLSA-N 400.357 1.593 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1471912295 WKYVYLROMAJWAG-OAHLLOKOSA-N 403.483 1.446 30 10 HDEE Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1492974568 FXFWPFDCEUFLMW-NPIURYIMSA-N 404.381 1.633 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1503808011 IBSSZQQJWCUEGZ-NSHDSACASA-N 408.304 1.778 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1507689504 KYVWYJHTBNMSLR-CYBMUJFWSA-N 404.521 1.397 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](C)N(C)C)CC1 1507729636 JAVFFLIMMOPXKV-MRXNPFEDSA-N 402.493 1.852 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)OC 1507821349 ZGONPIUUQVLNPV-CABCVRRESA-N 401.533 1.048 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507913914 BBDHNFGFZGQCEI-ROUUACIJSA-N 416.570 1.990 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507971701 BSAQRPLUWSTTQL-IBGZPJMESA-N 422.507 1.134 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)N(C)CC)C1 1508113402 XRWNUEDGIAUDAO-MRXNPFEDSA-N 413.478 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1CSC 1508142315 SDPJWAJKZAPGEI-ZIAGYGMSSA-N 413.569 1.162 30 10 HDEE C#CCOCCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1508247169 VHAHMEMALUIGCS-TYZHSBRISA-N 404.507 1.106 30 10 HDEE CN(C)CCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1517028227 RMLWVXCJNWIGIH-GOSISDBHSA-N 423.521 1.657 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1517028655 DSHUVQXCOUOBCG-UHFFFAOYSA-N 420.514 1.639 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1517402508 SKZMJRLKDDIOIG-RTBURBONSA-N 413.413 1.774 30 10 HDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1519374116 MJLAUUZXMSWHIP-UHFFFAOYSA-N 422.493 1.740 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1520658911 AEFXCIRNZUHAKY-NNFUDEMPSA-N 407.540 1.735 30 10 HDEE CS(=O)(=O)CCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1523814901 RAPDUVSEPJBRDQ-CQSZACIVSA-N 411.911 1.896 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)nn1 1526050102 ZVHJGPRZWJILLK-LBPRGKRZSA-N 404.268 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1539012810 KRUVOKGSTSNJDH-INIZCTEOSA-N 410.526 1.436 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@H]2C1 1539086125 XRHIOTLMEYTRQN-ULQDDVLXSA-N 402.499 1.019 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCCC1=O 1539201320 ZZBAJBRIOSODJL-HKUYNNGSSA-N 403.527 1.864 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539237290 BYHGIVWXQPRSTB-QFIPXVFZSA-N 422.489 1.542 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1539517472 OEYPPLLBHKPGDV-YESZJQIVSA-N 424.592 1.409 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1539525344 YAUVMUHOEAFDDB-QGZVFWFLSA-N 413.547 1.968 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOCC(F)F)CC1 1539829484 ZGCXVXRYFVFZST-CYBMUJFWSA-N 407.487 1.717 30 10 HDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)cnn1C 1542103219 GLENHHNMFIXRID-UHFFFAOYSA-N 404.478 1.609 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1542805375 PFIVCEGEIOAYKS-DLBZAZTESA-N 407.511 1.533 30 10 HDEE COc1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)ccc1C#N 1546061329 XXXUASARDRYSPU-UHFFFAOYSA-N 408.458 1.972 30 10 HDEE C=CCOc1ccc(CC(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 1547445185 BRPKDOXJEGANFP-UHFFFAOYSA-N 416.499 1.992 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)NCc2ccco2)cn1 1554331134 VEXPEGQRFUDNQW-HXUWFJFHSA-N 408.466 1.718 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1555269773 PUTPGENYVFKFRQ-XLIONFOSSA-N 401.442 1.797 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CC1([S@@](C)=O)CCC1 1555556660 GIPCXTPITNVJPG-MUUNZHRXSA-N 403.512 1.403 30 10 HDEE CNS(=O)(=O)NC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1556444535 SPRKWOINEQYTBN-UHFFFAOYSA-N 415.475 1.404 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C23CC(CN2C(=O)OC(C)(C)C)C3)n1 1556460906 IGEINICEIDYPRM-UHFFFAOYSA-N 402.495 1.891 30 10 HDEE C#CCOc1ccc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1557740299 IAIXQIFXMBIZHL-UHFFFAOYSA-N 413.474 1.650 30 10 HDEE N#Cc1cn(CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c(=O)c2ccccc12 1559442464 HMTMBVQTNRUNEX-QGZVFWFLSA-N 413.499 1.831 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OCC 1561875882 JKONATIULNAMQW-LJQANCHMSA-N 408.520 1.810 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1)C1CCN(C)CC1 1564639149 NVSIISAACUFNSB-KRWDZBQOSA-N 406.552 1.483 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cnn1CCC#N 1565697934 QTHUJPHEJHYUGV-AEFFLSMTSA-N 400.527 1.558 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1565815124 WLKLORRCQWDXMX-MRXNPFEDSA-N 415.490 1.233 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)c1 1566050729 BQAPOFZCXUGDTO-KRWDZBQOSA-N 414.487 1.143 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)n2)c(Cl)c1 1566763991 HVUKKVXWQLVHHG-GFCCVEGCSA-N 408.871 1.251 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(=O)cc[nH]c3c2)s1 1568302722 VYMXNCDGUIXEQZ-UHFFFAOYSA-N 417.512 1.913 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 1583848587 QCRQVYXBEVSVSL-OAHLLOKOSA-N 418.560 1.187 30 10 HDEE N#Cc1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)n1 1584681349 GARJIBSNAVIKTP-CQSZACIVSA-N 412.427 1.529 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1584836412 DFEZCKQVVLRDNT-KRWDZBQOSA-N 421.542 1.340 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2[nH]c3ccccc3c2CC(=O)OCC)CC1 1585000192 QUQYTRRSCWSDAT-UHFFFAOYSA-N 424.501 1.171 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCc1ccc(C#N)s1)c1ccc(S(C)(=O)=O)cc1 1585418613 BKUJFMUHEGIPRU-GOSISDBHSA-N 405.501 1.691 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 1585593849 POCBWSFNPQZJCS-INIZCTEOSA-N 413.474 1.801 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1587626076 GQWVIANJQGRJJZ-NEPJUHHUSA-N 422.415 1.608 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)N(C)C 1587915135 DFKMZQMALZWBIY-UHFFFAOYSA-N 401.536 1.709 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1n[nH]c(C)n1 1588185546 IQHGSVZNEPOSNM-OAQYLSRUSA-N 411.510 1.451 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)CC1 1588768681 JLVQSGFZBDHVDG-UHFFFAOYSA-N 424.530 1.149 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccnn2)CC1 1594492019 QWIJBLACZCYIQZ-INIZCTEOSA-N 410.526 1.948 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1594949229 UPLDKBRIMDPCHJ-INIZCTEOSA-N 415.542 1.654 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 1595557381 LFFKXGRROODJGC-UHFFFAOYSA-N 421.519 1.601 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1595595120 SIBMKFWDNRNVIL-HNNXBMFYSA-N 422.530 1.562 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN2CCCC[C@@H]2C1 1595798408 PAMFASVVUKSPJV-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE CN(C)C(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1596924517 CJTVCRCXTJSDMB-SQWDPEPJSA-N 406.508 1.863 30 10 HDEE N#Cc1ccc(CN(C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C2CC2)cc1 1597476699 FEFRZZDFEMEKAU-UHFFFAOYSA-N 414.443 1.936 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)n1 1612198085 RSYFIHXGHDJZNN-UHFFFAOYSA-N 417.539 1.718 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1620656218 GTYZHDNOZZLDTL-LSDHHAIUSA-N 403.545 1.776 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc3nc(O)n(CC(C)(C)C)c23)CC1 1623498914 JDPPBAPHZQQZCE-UHFFFAOYSA-N 411.506 1.295 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2cccs2)s1 1626160250 HXEUCOSZLYLTHZ-HNNXBMFYSA-N 414.530 1.847 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCO 1626174068 JHACJMBUWWCCLX-VFNWGFHPSA-N 408.454 1.386 30 10 HDEE CC[C@H](Sc1nc(CC(=O)NCc2ccc(C(=O)NO)cc2)cs1)C(N)=O 1626242930 UXLZOYUEBKTFKM-ZDUSSCGKSA-N 408.505 1.477 30 10 HDEE C#CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 1627335077 RYPUWOHNVJTLOL-OLZOCXBDSA-N 423.482 1.367 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c(C#N)cc2C1 1627762288 HTLVWFATFQTSGV-LLVKDONJSA-N 404.430 1.276 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 1628661739 AGWDGSZCRYFJPT-SFHVURJKSA-N 405.462 1.404 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2sccc2C)s1 1632546151 YCIVNAMITQEWPC-CYBMUJFWSA-N 400.547 1.975 30 10 HDEE N#Cc1cn(CCNC(=O)Cn2c(-c3ccccc3)nc3ccccc32)c(=O)nc1O 1633549962 GMQVZAGIGUHVFZ-UHFFFAOYSA-N 414.425 1.654 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN([S@](C)(=N)=O)CC1 1633981671 NPBDHPXUEWJULQ-ASHKIFAZSA-N 401.533 1.699 30 10 HDEE C=CCCC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1634883926 FIQKRSJETDLWDF-DLBZAZTESA-N 412.446 1.777 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(C)C)[C@H](O)c1ccccc1)c1cc[nH]n1 1635463847 GGZZRGXNSIHJLH-IEBWSBKVSA-N 402.451 1.568 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1637184638 JUJBWRCHCOGMEG-LSDHHAIUSA-N 402.513 1.214 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)C1 1639599128 UIAMJPZUXHWEFL-SBTCKYBLSA-N 418.494 1.730 30 10 HDEE Cc1onc(CC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)c1C#N 1640503867 SARBIQYDJSTBLQ-KWQFWETISA-N 412.290 1.998 30 10 HDEE CC1(C)[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H]1N1CCOCC1 1640588113 FMOOZLMJMLGMMD-IRXDYDNUSA-N 409.483 1.352 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 1643372392 JKQVWTNNXGDWEW-UHFFFAOYSA-N 407.826 1.167 30 10 HDEE C=CCC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCOCC1 1645061479 NYJQUFIYSOEUKE-UHFFFAOYSA-N 424.519 1.758 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCC2(C#N)CCOCC2)nn1 1647904170 MKQIHLFPDAUWAW-UHFFFAOYSA-N 406.487 1.633 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCNC3=O)CC2)cc1 1647991181 NTWZFOYBIKOWKT-UHFFFAOYSA-N 406.508 1.028 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1653170306 OYYIQQGZRCFNBE-AWEZNQCLSA-N 404.515 1.896 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 1654489891 VRGWGPIOQPMICR-SRKDIHCLSA-N 418.538 1.520 30 10 HDEE N#Cc1c(NC(=O)CCN2CCOC3(CCS(=O)(=O)CC3)C2)sc2c1CCC2 1655891058 OBTPXGCEDQWCBC-UHFFFAOYSA-N 423.560 1.717 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1662998171 MWTOQQSFDNZSSK-CYBMUJFWSA-N 418.309 1.987 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1666613111 DZDIWQDKVKNDKV-LJQANCHMSA-N 400.504 1.663 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OCC 1669268374 YSBVDLJJGRQFLB-RDJZCZTQSA-N 411.476 1.729 30 10 HDEE CC#CCN(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1672849250 NJLAJLDPGOVYQC-HNNXBMFYSA-N 407.492 1.747 30 10 HDEE Cn1nc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(F)(F)F 1682226603 NBKLNJZNLOZEJI-HNNXBMFYSA-N 420.395 1.911 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2CCC(=O)N2)c1 1689873467 KCNDWTDIGODOBA-GOSISDBHSA-N 406.490 1.565 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689993706 JSFLDHRWZQKZFV-WMZOPIPTSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)NC1CC1 1690015334 IRRSQHRXGWBMPJ-UHFFFAOYSA-N 408.462 1.137 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@@H]1C(C)C 1690019333 GFYAULGTHLBYEP-GUDVDZBRSA-N 418.563 1.704 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccccc1F 1690042789 BYNZAVWTDYWIGE-UHFFFAOYSA-N 417.448 1.767 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC[C@H]1COCCO1 1690098764 UQGIEQILVSSWGZ-KRWDZBQOSA-N 400.479 1.845 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1690125921 QGWZMXAVMGPLLK-UHFFFAOYSA-N 416.614 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc3c[nH]nc3c2)CC1 1690148894 YYGGAISEMWKCLD-UHFFFAOYSA-N 405.506 1.925 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1690577741 MAICUFOIHLTIBU-AWEZNQCLSA-N 424.552 1.033 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690646103 GWGBPWBEPCODEJ-RXVVDRJESA-N 423.565 1.829 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCCOC2)C1 1690678099 KWZLNVTZQMSKRE-MDKPJZGXSA-N 419.526 1.311 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694175877 LPZBTLQFNIVKQK-PFANNTFUSA-N 402.499 1.791 30 10 HDEE COCCn1cc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)cn1 1698073507 MDAWNVMFESHISU-QGZVFWFLSA-N 413.507 1.550 30 10 HDEE CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1698292730 BTAXLEUIBMDNMJ-UHFFFAOYSA-N 420.539 1.221 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)C1 1698482615 FTSSOZTUWCWPON-KUHUBIRLSA-N 415.429 1.173 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCOC2)cc1 1698489277 RGVJPZUHHOLGSK-PKOBYXMFSA-N 408.462 1.884 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1705494832 GOPHAWGKDITNHF-WMLDXEAASA-N 412.519 1.757 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCN(CC)CC1 1705500816 TVABRPUVZJZAHK-LJQANCHMSA-N 415.586 1.276 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1705547918 VGPFUVHOZGXXQF-KRWDZBQOSA-N 419.493 1.249 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559550 CJZZRDNUEQPYIG-JKSUJKDBSA-N 423.583 1.581 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1705637850 OJOQYEDFOGDAQJ-AZUAARDMSA-N 409.538 1.942 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCOc2ncccc2F)CC1 1705637901 QLDAUCXUGLAENF-UHFFFAOYSA-N 409.469 1.652 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCO[C@H]2CCOC2)CC1 1705650292 ONSURDRQEQCUMT-IBGZPJMESA-N 415.538 1.392 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2CCCC[C@H]2C1 1705686345 WMGOQQQHMFCOOE-KBPBESRZSA-N 409.332 1.812 30 10 HDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705827688 NXWVBMPKXCRJOX-UHFFFAOYSA-N 405.524 1.619 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1cccnc1 1706877524 BNFAXODVDVHANI-BEFAXECRSA-N 417.539 1.656 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCCc2ccccc2)o1 1707385493 HVNULAIKMWEVAQ-SFHVURJKSA-N 420.473 1.934 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1711073848 KDXQFZDRUPPXAP-QGZVFWFLSA-N 407.478 1.187 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C1 1711317264 ACXNOSVLKLAPLB-JXFKEZNVSA-N 400.458 1.764 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C[C@H]1O 1711460890 XTJKCRVTBBWZBZ-ZTFGCOKTSA-N 412.494 1.127 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1712473314 TYCSWNXQQVSNEF-CLCXKQKWSA-N 406.462 1.066 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1722358101 DKVSHHIBXMQVKF-MRXNPFEDSA-N 404.540 1.407 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1722369982 FCLLQPKJMDQFOY-UHFFFAOYSA-N 421.505 1.109 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(C)=O 1722398190 RSRININZSYDDNJ-UHFFFAOYSA-N 417.473 1.583 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722535080 YOWKCCYQXBNKRX-SFHVURJKSA-N 410.482 1.639 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C(F)(F)F)C1 1722689754 YVOOJOBGHXAPIB-OLZOCXBDSA-N 421.420 1.072 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1723652160 KPVSHGXMRHZVQU-SFTDATJTSA-N 418.542 1.973 30 10 HDEE COCCCN(C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1730690631 FERIVQNARQBUAY-INIZCTEOSA-N 402.474 1.781 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)CCO1 1731190751 TVIVYSYONTYNGY-NSHDSACASA-N 410.381 1.016 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740532068 XKBIHESOFSIPHJ-DLBZAZTESA-N 408.506 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1740532666 KDMCYWWDOGFKRC-CVEARBPZSA-N 424.571 1.139 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1740542866 CXXHDVNSFKUIQO-ZDUSSCGKSA-N 405.480 1.023 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1740660267 LVHUGHSODNIYHY-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(C)COCCO1 1740686255 GSORNZSRHVIOIC-NRFANRHFSA-N 402.470 1.900 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@@H]1C 1740688893 WNILGOZFUSEFSL-JPYJTQIMSA-N 423.517 1.907 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2conc2COC)CC1 1740691709 MANQPBPUHMKRBD-UHFFFAOYSA-N 417.473 1.755 30 10 HDEE C=CCCOCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1740887578 AUHAVGKCCPKLQF-INIZCTEOSA-N 413.588 1.934 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1740955660 BTNHVPUFOQZWAE-QGZVFWFLSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740961757 YRFXQVZQZWWVDL-KRWDZBQOSA-N 417.535 1.103 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740963816 XYKNCTKNKOAYFJ-LPHOPBHVSA-N 424.505 1.892 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964674 GIKWIVXBVWVBHS-RTBURBONSA-N 406.462 1.063 30 10 HDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1741207833 HUYWFSAPFFYGFG-UHFFFAOYSA-N 423.521 1.823 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@H](C)O1 1743320185 SNIBVLUPXKYTCT-HOTGVXAUSA-N 424.505 1.869 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@@H](C)O1 1744988006 BKIZJJHRIGCDDJ-RHSMWYFYSA-N 418.523 1.370 30 10 HDEE CCOC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1747293143 IIWUAMLNMDOLPZ-KGLIPLIRSA-N 422.511 1.264 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1748710289 LVOJYQMQPBBNIC-QZTJIDSGSA-N 412.538 1.775 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1748760741 FAZPGQCQXQGYHG-QFIPXVFZSA-N 409.490 1.996 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)C1CCC1 1748771762 NXCFLQYBBCEVPT-OAQYLSRUSA-N 403.527 1.695 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1748826316 RDFAFNHFHDKPDR-CQSZACIVSA-N 421.473 1.482 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(OC)cc1 1748844070 NSPVEAFPOGARPH-APWZRJJASA-N 407.474 1.778 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@H](O)C1 1748949442 ANKITYROQSVVLO-LQWHRVPQSA-N 406.527 1.567 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1749004487 JYMVARWWBFNLCA-OAHLLOKOSA-N 418.542 1.713 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccncc2)CC1 1749008838 HHTMFEMNETZOLS-UHFFFAOYSA-N 418.505 1.282 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1 1749269698 UULVUPIPSAGCRG-LSDHHAIUSA-N 418.947 1.422 30 10 HDEE C=CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749396954 LFVQCKRAAJVQFE-UHFFFAOYSA-N 411.510 1.557 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1749462390 UVDAAOFHTVPFML-UHFFFAOYSA-N 417.535 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749655060 BUMMUXHSUNBFDC-CRAIPNDOSA-N 415.494 1.496 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1749669201 DBUKUJMYWJRSLW-ZDUSSCGKSA-N 424.456 1.315 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1749712801 LTTLYVBOVMQFOV-CVEARBPZSA-N 412.556 1.777 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C#N)CC1 1750214523 FUMKZJRKXWGVFN-UHFFFAOYSA-N 413.507 1.496 30 10 HDEE CC(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1750983144 CKFSRPWTHVWAOI-UHFFFAOYSA-N 423.521 1.823 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1760185209 SCEWVPXOOJHPTF-OAHLLOKOSA-N 416.503 1.105 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1760195544 DUPFFXXZYLHGAN-OAQYLSRUSA-N 412.494 1.580 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCC1 1760210571 TYVHEQKZINHQPE-MRXNPFEDSA-N 407.540 1.168 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1760229779 FKSCSBKGBWVISL-PMERELPUSA-N 424.534 1.682 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nc(C)cs2)CC1 1760273147 JQPOMDFAAAAEJA-MRXNPFEDSA-N 414.535 1.909 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760316197 NPDMBJDTEMTNMJ-BBWFWOEESA-N 402.499 1.334 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760440166 CSLZSXNZMGKTRS-FRQCXROJSA-N 410.540 1.531 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1760456785 XGCGIUJBWIIWSH-JKSUJKDBSA-N 418.567 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(C)=O)C1 1760520069 BHILUSMFQXXJBW-HNNXBMFYSA-N 400.458 1.491 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1760525082 SXKNTTILXYACPA-INIZCTEOSA-N 416.913 1.539 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCCC2)C1 1760534415 XYTXBWKPTBFHGD-INIZCTEOSA-N 416.526 1.341 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(C)(=O)=O)C1 1760539105 KGMKIPIVPJXAIA-KRWDZBQOSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760551224 XTQRGRXWSYNOGC-KSSFIOAISA-N 411.528 1.291 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760552804 BBIAOYIEXRDLQA-FQEVSTJZSA-N 417.535 1.508 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1760559211 KNWIPLLYNHCTRV-HNNXBMFYSA-N 406.556 1.537 30 10 HDEE COC[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769466842 FUBVVQHAALENOF-IJYGLTAASA-N 416.526 1.866 30 10 HDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1770559774 GDKYUXBTAOJVQA-UHFFFAOYSA-N 424.486 1.503 30 10 HDEE CC(C)N(CC#CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)C(C)C 1849409393 DDECWPUWYVXYHO-UHFFFAOYSA-N 403.548 1.922 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N[C@H](C(=O)N2CCN(CCC#N)CC2)C(C)C)c1 1850894489 CIUZHVBTFBQSPP-IBGZPJMESA-N 406.552 1.664 30 10 HDEE Cc1nc(C2CN(C(=O)CCON=C(N)c3ccc(OC(F)(F)F)cc3)C2)no1 1853463311 GTQQXABPHALEMQ-UHFFFAOYSA-N 413.356 1.930 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCOCC2)c2cccnc2)c(C)c1 1853490345 MRZYWBQGSSUZBG-UHFFFAOYSA-N 418.519 1.687 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1853746117 GQTXWRQFQVFISN-INIZCTEOSA-N 421.494 1.600 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COc2ccc(F)cc2)C1=O 1854262054 GCWIGNCWBDFGFQ-OALUTQOASA-N 417.481 1.831 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cnc(C)s2)C1=O 1854303141 VKZVOXXQVPMXQU-IAGOWNOFSA-N 404.536 1.620 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3ccccn3)C2=O)CC1 1854862498 OKMSQQFLGUERSO-IBGZPJMESA-N 405.458 1.880 30 10 HDEE Cc1nnc(CN2CCC(=O)N(C(=O)c3ccnc(C#N)c3)c3ccccc32)n1C 1856148850 BEDGRCDTVGKGMK-UHFFFAOYSA-N 401.430 1.974 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1CCC#N 1856197963 CERLQQFQRBZHGT-OAHLLOKOSA-N 404.492 1.058 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)C12CCCC2 1856216512 KUSWRVLQRCTZDI-MRXNPFEDSA-N 407.511 1.792 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CC(Cn4ccnc4C(C)C)C3)C2=O)CC1=O 1856515255 BJMFGMDGGLHNDZ-QZTJIDSGSA-N 413.522 1.100 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCCC#N)C2(CCCCC2)C1=O 1856517569 DYXMMWYOHOZAPI-QGZVFWFLSA-N 424.567 1.478 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)CC1 1857211972 DXZXSDWYSVDHKZ-HKUYNNGSSA-N 412.490 1.864 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)C[C@@H]1COCCO1 1857225372 CNLVOHPKXBUVBO-HZPDHXFCSA-N 405.882 1.742 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3ccccc3n2)C1)[C@H]1CCN(C)C1=O 1857236715 LFWLNGRHOIWTDL-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1ccc(C(=O)OCCC)cc1 1872651515 UWVLMDKPVHGOQU-UHFFFAOYSA-N 402.407 1.499 30 10 HDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc[nH]1 1874338102 MWSUFUKGRMOBAC-KHAGQWAKSA-N 417.539 1.831 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cc(=O)n(C)c(=O)n3C)cc21 1889544878 JMHYJGWNQJKFIM-UHFFFAOYSA-N 412.446 1.274 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H]2C#CCN(C)C)c1 1890870050 SSWCPEATHZOBTG-UYAOXDASSA-N 403.548 1.704 30 10 HDEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@]2(O[C@@H]1O)[C@@H]1O[C@H]1[C@H](O)[C@H]1O[C@H]12 2058696792 NDLASBSIMFTZFG-FKHRIQFBSA-N 421.534 1.967 30 10 HDEE Cn1nnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2074368943 WGJIAHCJOJQKSO-WDEREUQCSA-N 414.308 1.022 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118169715 JJFLTBPQMDZONY-FUIYZNBFSA-N 406.530 1.232 30 10 HDEE CC#CC[C@H](NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123800488 XRCIBDBVJBUQDH-LLGFUMIMSA-N 402.447 1.785 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C)C[C@@H]2C#N)C1 2124737712 WEEZNRUKJQLRLL-BBTUJRGHSA-N 400.479 1.469 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)CC1(C#N)CCCC1 2174783247 ADRZQNNTWMOFCH-HNNXBMFYSA-N 400.545 1.541 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C 2174785729 BXDPMEKFVIWVBK-ZBSNKRKSSA-N 423.557 1.648 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2185706806 RJHLPJKEMLXSIV-CABCVRRESA-N 401.529 1.870 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nn(C)nc1Br 2214381860 YCHRNYPJMXDHFA-JTQLQIEISA-N 400.277 1.453 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243386650 FCMOBCLUNBUMLA-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826489 VBZMOMOEJAIOPK-CRAIPNDOSA-N 410.327 1.959 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247827196 AVJKRNJIHVMIFW-UONOGXRCSA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247927972 TYRAOUOMTNNQSM-JSGCOSHPSA-N 418.303 1.419 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281801137 BSWLNXRHNMSIPG-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CNCC[C@@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282310813 ZDWMMDIIYPDKMW-GFCCVEGCSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282315018 IJHSDUYAWXRRBH-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE C[C@H]1[C@H](O)C[C@@H](C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282329560 ODTOFPICDWXUTD-MBNYWOFBSA-N 401.359 1.827 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCC1 2282330362 YQFNVBVFQXMSMB-RUZDIDTESA-N 419.399 1.627 30 10 HDEE CO[C@@H]1COC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338688 PCUPSLWEVQTLCF-CHWSQXEVSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NC[C@@H]3CSCCS3)c2)OC1(C)C 2282351247 YGEWGSBDWIQHQD-CYBMUJFWSA-N 416.399 1.508 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282831424 KBLVLICSJDDUFG-RUZDIDTESA-N 421.777 1.638 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(CO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282833791 KFHATPHGAIVVLH-UHFFFAOYSA-N 401.359 1.797 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CC([C@@H](F)CO)C3)c2)OC1(C)C 2282853158 ZBKSOTQORMTYSZ-GDKBPFBDSA-N 405.322 1.435 30 10 HDEE C[C@@H]([C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2282856488 TWHUCFYILMHVOT-MNOVXSKESA-N 423.387 1.147 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282857018 BHHGNTBEUXZONC-MRXNPFEDSA-N 402.347 1.226 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@]2(C)CO)c1B1OC(C)(C)C(C)(C)O1 2282869985 KZGYHEDCDSMDLA-KRWDZBQOSA-N 401.359 1.810 30 10 HDEE C#CCOCCONS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877541 SMWIAKBULXUIDN-UHFFFAOYSA-N 401.315 1.048 30 10 HDEE CC1(C)C[C@@H](N)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883096 VVAYZFNRFPTXEK-CYBMUJFWSA-N 400.375 1.689 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCNC(=O)OC(C)(C)C)n1C 2300338076 RACMJXUARKDWOL-UHFFFAOYSA-N 422.335 1.672 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(OC)ccc1OC 2331565626 CFTSFAUGHGDUCQ-UHFFFAOYSA-N 407.496 1.942 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2339666834 DRMVXCYGECVIBK-OPYAIIAOSA-N 422.547 1.611 30 10 HDEE C#CCNC(=O)CN[C@@]1(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2351389871 RCCFDECEYQCAJQ-UTKZUKDTSA-N 401.463 1.216 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2365213895 YVTGVLIDTMIRSY-QXSJWSMHSA-N 400.541 1.568 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)C1(C)C 2365254254 MVOOARQXMSNBNY-SFHVURJKSA-N 403.497 1.682 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)COCCNC(=O)OC(C)(C)C 2367782718 ARLQIDXUDMSRAH-MRXNPFEDSA-N 402.557 1.867 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367797162 TZTONZPQCILNJP-JKSUJKDBSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812925 YISCJXBTXAMBHM-JYJNAYRXSA-N 400.541 1.435 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367833238 HSRGQMHFOZXJQD-XHSDSOJGSA-N 402.557 1.442 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 11399979 IVYZPWPFEQBTTP-HNNXBMFYSA-N 415.471 1.985 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 22074488 BZXDPKSHRDSYFM-CYBMUJFWSA-N 412.895 1.422 30 10 HDEE CCOCC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)/N=C(/C)O)cc2)CC1 59748362 GGDYPEARXNGACO-UHFFFAOYSA-N 411.480 1.565 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1 96348740 VIRYHFRRSVBYJY-UHFFFAOYSA-N 412.511 1.939 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 227170174 KIJVPHQMUYAIMG-IDPGXWOASA-N 404.555 1.877 30 10 HDEE C[C@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)n1cnc(C#N)n1 410004693 RXLRFPPZFMGYLU-SECBINFHSA-N 402.212 1.840 30 10 HDEE Cn1cc(C#N)cc1C(=O)[C@@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 435452442 ONWYMXPTLIOZJW-QGZVFWFLSA-N 401.430 1.804 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1=O 439523545 OUZXDKOPLACKHS-SJLPKXTDSA-N 421.519 1.890 30 10 HDEE C=CCNC(=O)Cc1noc(CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)n1 445343770 RJQIZPDPTARPDB-HXUWFJFHSA-N 413.434 1.199 30 10 HDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)ccc1C#N 462476089 RJFPZOXZDXLAPG-UHFFFAOYSA-N 424.523 1.149 30 10 HDEE N#Cc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 462931600 GMZQQKGCKNTAKC-UHFFFAOYSA-N 416.434 1.492 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)s1 477433898 QIJSPAOHFKZTIA-ZDUSSCGKSA-N 418.540 1.887 30 10 HDEE CCNC(=O)COc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 481046824 ZHCFORDBDKITKR-UHFFFAOYSA-N 405.451 1.832 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C#N 489230176 JKNRLOIWWPOBQX-UHFFFAOYSA-N 419.551 1.263 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccs2)CC1 492318550 AEEYIQPDJRBYNQ-INIZCTEOSA-N 404.536 1.189 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 503606225 APACLMUKRALLCR-CYBMUJFWSA-N 409.273 1.931 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 505697402 HQNJTAQPPJUGER-XKGZKEIXSA-N 413.547 1.933 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC[S@@](=O)c2ccccc2)CC1 517094444 URVIQIXCTBEVQL-AREMUKBSSA-N 403.529 1.672 30 10 HDEE CCN(CC)C(=O)CN1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 532828184 HJNOQACSJAJKMD-UHFFFAOYSA-N 406.552 1.208 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 544819575 QOJFDCXOZCVMSG-HXUWFJFHSA-N 419.547 1.683 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 563273941 AEINVCMACREQGU-KRWDZBQOSA-N 415.513 1.583 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 563652203 UHUWQDFRZIEQTK-UHFFFAOYSA-N 412.515 1.930 30 10 HDEE COc1cc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3C)ccc1C#N 574585645 OZJDZIIRDVIRTL-UHFFFAOYSA-N 405.414 1.722 30 10 HDEE N#Cc1cc(I)c(OCCC2CS(=O)(=O)C2)c([N+](=O)[O-])c1 578833089 AWRWZCOXNCEOFD-UHFFFAOYSA-N 422.200 1.885 30 10 HDEE COc1cccc(/C=C/C(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585828287 QTJYIVDLVCVHCH-XYURJSSKSA-N 421.497 1.944 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)cc2C1=O 601492220 NQLYZRXTXUYUQK-OAHLLOKOSA-N 418.453 1.576 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nnn(C2CC2)c1C(F)(F)F 610704848 SYCABOJSMCBKRF-SNVBAGLBSA-N 406.372 1.644 30 10 HDEE CN[C@H](C#N)[C@@H](C)n1cnc(I)c1I 699335031 OCJKJQJEZLHDMR-PHDIDXHHSA-N 416.004 1.765 30 10 HDEE C=CCC1(C(=O)O)CN(S(=O)(=O)c2ccc(I)cc2)C1 722908941 SZLBBVOPPVSWSF-UHFFFAOYSA-N 407.229 1.943 30 10 HDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CNC(=O)c1ccc(C#N)cc1 727008612 PKOJHAMBPTXZJQ-UHFFFAOYSA-N 420.425 1.595 30 10 HDEE C#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 731638431 IKXWXCCBADWQRQ-QRQLOZEOSA-N 418.515 1.747 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCN1C1CC1 732708485 QJTXIWUMGJWARH-LJQANCHMSA-N 409.490 1.450 30 10 HDEE C#CCN(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)[C@H]1CCS(=O)(=O)C1 735463329 IBRQAZVEDDPRGN-INIZCTEOSA-N 404.467 1.792 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N 747591597 YZVAZMCYKJRDMC-ZDUSSCGKSA-N 421.523 1.662 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCc2ccnc(C#N)c2)C1 754726814 BGHAYGUWWWUWMN-HNNXBMFYSA-N 404.448 1.702 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C3=NN(Cc4ccc(F)cc4)C(=O)CC3)CC2)n1 760776297 ICSLTTOKEHNSBO-UHFFFAOYSA-N 420.448 1.920 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncs2)c(=O)n1CCc1ccccn1 767883563 LESFZUCMGWESFZ-UHFFFAOYSA-N 422.535 1.876 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCN1C1CC1 779622662 OIMLNSGKRNSSEH-MOPGFXCFSA-N 402.520 1.293 30 10 HDEE CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)c1 784127182 VMRNWYOFSXBQAU-MRXNPFEDSA-N 416.507 1.835 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)CC1=O 785653624 QUENHISRBHMICD-GGPKGHCWSA-N 413.474 1.648 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC(C)(C)N2C[C@@H](C)O[C@H](C)C2)cc1C#N 785866392 RDZFACDCDSACQH-HUUCEWRRSA-N 402.495 1.187 30 10 HDEE C#C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)c1ccc(F)cc1 794893732 BAUPTDPXDIULCH-GOSISDBHSA-N 402.447 1.951 30 10 HDEE N#CCC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 797562631 ADVVTYQURLROLK-CQSZACIVSA-N 403.460 1.434 30 10 HDEE C#C[C@@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C(C)C 799045384 CCQMPZYTSVAKBL-CQSZACIVSA-N 415.309 1.576 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2cnn(CCOC)c2)C1=O 799859152 MOXSGFQDZDUJND-MRXNPFEDSA-N 419.482 1.936 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807940247 GKVGDBMKENWMNN-CQSZACIVSA-N 422.898 1.745 30 10 HDEE COCC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 810166094 LEPVXLUMSIDNSO-OVFHLDOESA-N 412.512 1.672 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 812386070 LCHJZGKYAYSASX-IAGOWNOFSA-N 418.519 1.320 30 10 HDEE N#Cc1ncccc1COC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 813308849 LEOCAVBEUAQKFI-UHFFFAOYSA-N 400.441 1.922 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)CCc1c(C)nn(CCC#N)c1C 916180999 UGHXZBFTHBCFOM-UHFFFAOYSA-N 424.504 1.699 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCOC2)C1 1123085972 YWXXBZOQWZLUSN-QFBILLFUSA-N 422.493 1.739 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)CC2=O)cc1Cl 1133054776 MFCOPMASIBFDPL-GJZGRUSLSA-N 400.866 1.692 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]2CC[C@H]1C2 1135347433 FDLQBHNQHPMESC-DOXZYTNZSA-N 418.475 1.758 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNC(=O)N2CCCC2)c1 1136281976 VJKHPUBJUKFVSA-PGMHBOJBSA-N 407.496 1.243 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1143652677 OMUUVEIKOBAQJZ-HNNXBMFYSA-N 422.503 1.210 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 1147719824 FEFVDJDKGDNGFR-STQMWFEESA-N 404.895 1.179 30 10 HDEE C#CC[C@@H]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1148872714 YZJMKSNZDODRPW-MRXNPFEDSA-N 405.520 1.319 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC([C@]4(C)COC(=O)N4)CC3)CC2)o1 1155592639 ZOGBOGHFOVZUFD-FQEVSTJZSA-N 401.467 1.808 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)cc1 1156734762 HADSSYYBQFKTCE-UHFFFAOYSA-N 414.487 1.489 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCc1nc(C#N)cs1 1157493035 WZUAKRMEFJBBKR-ZDUSSCGKSA-N 407.496 1.537 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1158560348 VWOGCJWSRWEWBE-CQSZACIVSA-N 401.220 1.774 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1159634659 PKRAGOQZYNSENW-OAHLLOKOSA-N 408.277 1.613 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(c3nccnn3)CC2)CCCN1C(=O)OC(C)(C)C 1167738491 IWSPMVCRHANWHL-FQEVSTJZSA-N 400.483 1.313 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 1169292174 NPWYPHMLBLUWLA-ZDUSSCGKSA-N 403.298 1.272 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1213137760 GKGJKGDDPXYWNF-AAEUAGOBSA-N 400.840 1.327 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)C1 1221867962 IBBCXVAONYAECK-SFTDATJTSA-N 411.550 1.281 30 10 HDEE C#CCN(C(=O)N[C@H]1CCC[C@H]1C(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1 1230546879 WCYMOINBKBEHPN-SJORKVTESA-N 406.527 1.945 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H]2C1 1251336653 GHMPOVJDPIULKV-RDGWLKQMSA-N 406.483 1.632 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl 1259114403 ZFDCUPMVAXXNPO-QWHCGFSZSA-N 401.872 1.782 30 10 HDEE CCOC(=O)c1sc(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)c(C#N)c1C 1264025875 AITTVVVLTORGIF-NSHDSACASA-N 401.448 1.830 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)CC2)c1C#N 1269302896 FTRNYPQRNXMSMM-UHFFFAOYSA-N 423.452 1.571 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1286277693 GLCNCUCTQSXERB-CABCVRRESA-N 424.571 1.185 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1286290138 PWUXCDVFQONEQC-AWEZNQCLSA-N 407.478 1.269 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286299073 ATAOGGISDNZECT-DOTOQJQBSA-N 422.455 1.985 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1286386629 FASSFEIMNDPLOP-SFHVURJKSA-N 417.535 1.520 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1286388785 BRMMLZHYLFJBQV-MRXNPFEDSA-N 416.532 1.415 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286395706 UABQOOKBVHRJMN-MSOLQXFVSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC(C)CC1 1286416776 XSPOHJBTPUPDPT-UHFFFAOYSA-N 410.566 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1286428644 DVSPUBFSDHOOIQ-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1286435526 CIMXPGNAKPEIJQ-MRXNPFEDSA-N 424.571 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2nc(C)no2)CC1 1286489896 HHLDQTKPJXGAPS-UHFFFAOYSA-N 422.493 1.563 30 10 HDEE C#CCSCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)C1 1286508211 JZNZNGFEYPVLBC-UHFFFAOYSA-N 408.531 1.995 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1286522457 MHBFIDVRPZEAOO-QVKFZJNVSA-N 410.478 1.682 30 10 HDEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286715074 VUAHINADMKWFNZ-XLIONFOSSA-N 404.536 1.992 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286757941 ZASQTOLYWWTXSL-INIZCTEOSA-N 410.540 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286787708 YYHBJKAAAFLQEE-AWEZNQCLSA-N 407.478 1.396 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(CC)CC 1286791573 WMANMIBCZGNADR-OAHLLOKOSA-N 422.530 1.735 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286793637 IEYMPRGHWXPQJB-MRXNPFEDSA-N 419.530 1.016 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CCN(C(C)C)CC1 1286959062 DKWRNCGWDWYGGS-MRXNPFEDSA-N 405.547 1.247 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1289909484 MNJAGFKDVVCJRJ-MEUCICPISA-N 423.477 1.400 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)NC(C)C)n1 1290589170 DCQQQLXROZDELT-HNNXBMFYSA-N 422.559 1.206 30 10 HDEE Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290817096 ZKIYBCFVXQAAKI-ZCXUNETKSA-N 413.869 1.724 30 10 HDEE C[C@H]1C[C@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1291020254 CUNPOCJAQPEMHK-DLBZAZTESA-N 424.505 1.870 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1291188803 QWXQEIAWZAVMIH-ZDUSSCGKSA-N 420.433 1.105 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1291702360 DHQPDLFZGGBDIQ-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](CCC(N)=O)C3)C2=O)cc1 1292742354 BIPDIYGHYRAZJR-NVXWUHKLSA-N 411.462 1.267 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3CCO)c1 1295982360 GXACDFYCSAJEMF-SFHVURJKSA-N 401.488 1.480 30 10 HDEE CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1300002664 ZNYNWOMQDPEPSS-HOCLYGCPSA-N 411.455 1.242 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N(C)CC(=O)N1CCOCC1 1300422543 RELNJSUIJIJKMS-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1300459489 DGHSVSFJRIOWAL-FQEVSTJZSA-N 405.506 1.649 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1300630481 CKCJMYURHGFTSI-HNNXBMFYSA-N 402.476 1.417 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300850771 DDPLCRPUHPUNLW-CQSZACIVSA-N 413.364 1.786 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301060192 CELLHVWGTZFOFA-CJNGLKHVSA-N 404.920 1.306 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1)C1CC1 1301323956 XXYTUMCFCIFBQM-HZPDHXFCSA-N 424.496 1.740 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CCO1 1301358780 DLKBVMUOFKSRSN-LJQANCHMSA-N 407.478 1.759 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2OC)CC1 1301508854 WISALGZGSBYURB-UHFFFAOYSA-N 410.522 1.868 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1 1302921562 KKMDWFXBIIZOSK-ONEGZZNKSA-N 402.303 1.618 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1309853616 XMQKHXJKUMGSIZ-NZSAHSFTSA-N 406.504 1.697 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1Br)NS(=O)(=O)N(C)CCC#N 1309921200 IASQRMVDSJLGSW-CYBMUJFWSA-N 404.286 1.213 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H]1CS(=O)(=O)NC)c1ccc(Br)cc1 1312936104 GAECRMZHXRTIRM-CABCVRRESA-N 414.325 1.847 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1313775384 GNEZAXDFMBSXID-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1358999902 GSGJUYUDBTVCAR-CYBMUJFWSA-N 408.553 1.513 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@](=O)CC)CC1 1359043600 AMWMCGDACPWLAM-MUUNZHRXSA-N 402.524 1.008 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1359048631 XCAMLJCTDAIKJV-UHFFFAOYSA-N 418.567 1.374 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359058099 SOCLERFOBYHKQO-AEFFLSMTSA-N 404.584 1.196 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)CC1 1359062692 PUJYVPFRLLXUKZ-GOSISDBHSA-N 405.568 1.797 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359105673 SOCNIFAYZGLZTB-BQFCYCMXSA-N 404.515 1.352 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359107640 RLUBTNNWOJKHSU-AWEZNQCLSA-N 424.575 1.686 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1359113876 SIMCWADFKMEBSE-RHSMWYFYSA-N 400.570 1.451 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@H]1C 1359296841 WKLOVHXQTVORGQ-CQSZACIVSA-N 413.478 1.980 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)[C@H](C)C#N)CC2)c1 1436530165 FVFLCYIUWYPRER-QGZVFWFLSA-N 420.535 1.287 30 10 HDEE C#CCC(C)(C)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1437853896 IWUXXWBMHVLPNG-UHFFFAOYSA-N 406.527 1.853 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1439610063 DEMSRTDDVWYXHF-UWVAXJGDSA-N 417.487 1.042 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)[C@H]1c1ccnn1C 1439737040 FQNSRHOXQGGLPC-TYPHKJRUSA-N 423.473 1.180 30 10 HDEE COc1ccc([C@H](CO)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1451108766 LOBTWACLZJMUNP-KRWDZBQOSA-N 417.487 1.393 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cc(C)c2C)CC1 1455115938 VDZAVOZOEPFJNE-UHFFFAOYSA-N 414.325 1.291 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1460536251 YSPYJSXZHSVYQK-OAHLLOKOSA-N 406.442 1.675 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460882463 OIDNACLRWXBMLH-OXJNMPFZSA-N 413.503 1.298 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCOCC1 1461710891 KHGKNIRTTAMHNS-RBUKOAKNSA-N 414.502 1.639 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@H]3CCCOC3)CC2)cc1 1461777556 JSJMZVDJXXQKHC-QGZVFWFLSA-N 405.520 1.892 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3C(=O)CCC3=O)C2)C1 1465199876 UQCNQENDVYSMOP-LQZXRHCMSA-N 404.467 1.038 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccccc1OCC(=O)N1CCOCC1)C1CCOCC1 1465792442 ZDFJBOADMVCEDM-QGZVFWFLSA-N 401.463 1.474 30 10 HDEE CN1CCC2(CC1)CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CCO2 1469762241 GHEIEAUWKOSGPK-IBGZPJMESA-N 411.506 1.560 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1471583347 BNSNLVHPDZBTOJ-HUUCEWRRSA-N 409.870 1.328 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)C1 1471833313 UUGMZALZIFPWNK-OAHLLOKOSA-N 406.442 1.820 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2c(C#N)cccc2[N+](=O)[O-])C1 1473769118 LDNWXISTPMUKMM-UHFFFAOYSA-N 401.423 1.388 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@]3(CCOC3)O2)CCOC1 1502628409 QURIQLWSEBJENA-DEPWHIHDSA-N 419.526 1.864 30 10 HDEE CN(Cc1ccccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1503490856 QPYTVRPQBACJGZ-CZIZESTLSA-N 418.461 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1507532573 FSJYRKXQXJEWJI-QAPCUYQASA-N 424.505 1.688 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1507572865 ZKMGFZUWEWKXEJ-UHFFFAOYSA-N 409.494 1.821 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507611818 PUJYHBOOQPVMBJ-LSDHHAIUSA-N 401.433 1.852 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507623617 UTVKSMKOFQOBCT-JKSUJKDBSA-N 409.556 1.191 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCC3CC3)nc2)CC1 1507736453 PJBQIOMYVFIJBA-UHFFFAOYSA-N 408.506 1.784 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1507844909 SGEKYHZMDPLDSK-AWEZNQCLSA-N 411.553 1.866 30 10 HDEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CC1 1507884690 KULQMRMDFDFNIM-QGZVFWFLSA-N 419.507 1.496 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1507992325 BMSZNAJWYFUDEU-DZGCQCFKSA-N 407.540 1.250 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1508006524 GRGGKBWESSQLQC-HOCLYGCPSA-N 403.508 1.899 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CCN(C(=O)OC)CC1 1508039210 GXDQVWJXWRTEPF-UHFFFAOYSA-N 415.498 1.852 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccnn2)CC1 1508087141 NSCIPXGSELBXNI-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CCC 1508090419 NILLFVYHKJNWCA-UHFFFAOYSA-N 412.542 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508143708 JLARESJIGZPUOF-YRNRMSPPSA-N 424.567 1.604 30 10 HDEE CC[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1513469536 OTONDUBOZGIANK-SFHVURJKSA-N 421.509 1.697 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1517411994 GGTPCVHREDUSGS-QFIPXVFZSA-N 403.490 1.915 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1ccnn1 1519294754 KSTXWVOKNSKMIK-LPHOPBHVSA-N 402.503 1.814 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C(=O)NCCc3ccccc3)cc2C1=O 1528081830 UMXNURBEPGEGJW-OAHLLOKOSA-N 405.454 1.946 30 10 HDEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C 1529921097 ZCGRDRLKIJGAAN-UHFFFAOYSA-N 412.475 1.511 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539203035 MZBSAEQNQUVFGB-QGZVFWFLSA-N 409.600 1.933 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539216715 WIJCMUFIQOFEPM-LJQANCHMSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1539266468 QVJLOINKEZZRQQ-GOSISDBHSA-N 414.487 1.298 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1539292090 ZWWUQWFDCQITAY-UHFFFAOYSA-N 414.510 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(N)=O)nc1 1539332257 JPQUOFMMKLNSAB-UHFFFAOYSA-N 419.514 1.639 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN(C)C2CCCC2)CC1 1539453377 JAAMIBFZGKRCDI-UHFFFAOYSA-N 407.566 1.894 30 10 HDEE C#CCSCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCOCC1 1539511369 WDVLVTNGLKKUQP-UHFFFAOYSA-N 424.530 1.878 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccs1 1540862061 PTXLEMIIVDXFPF-UHFFFAOYSA-N 411.491 1.926 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1541159108 BKBPWCWWAIDOJR-ZWKOTPCHSA-N 402.543 1.948 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1541803015 BGYIRJNYTFHQQT-LBTNJELSSA-N 407.496 1.419 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)COCCO1 1543311142 NTOCTAGXUAWYEC-FQEVSTJZSA-N 400.458 1.729 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1544554228 PNKYVMSDWOHBFS-RHSMWYFYSA-N 421.505 1.398 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1554528334 NLJXRLDKEFHCJG-HRAATJIYSA-N 408.462 1.294 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1556585305 SQGBALRLONXOQB-INIZCTEOSA-N 424.519 1.317 30 10 HDEE CCOC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1557388572 YAYZKJKLLSQWEU-LBPRGKRZSA-N 410.345 1.737 30 10 HDEE CCOC(=O)[C@]1(C)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 1560083943 DPBZSGORNZCJAJ-IBGZPJMESA-N 412.408 1.827 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)C2)cc1 1564964091 RWNKXDYTYDMNLF-INIZCTEOSA-N 413.455 1.566 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)OC 1568154265 FGSQABKZOPSRDL-CABCVRRESA-N 407.858 1.805 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1587661452 BQACVCHPNXEPRA-MRXNPFEDSA-N 414.535 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC 1587678458 SMSRTTIWFMBPTR-ARFHVFGLSA-N 411.572 1.594 30 10 HDEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1587758573 CIMAZIRSVQBRLR-UHFFFAOYSA-N 411.514 1.075 30 10 HDEE C#CCN(c1nnc(COCC)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1588074048 IAFHYGPVSRVOTE-CYBMUJFWSA-N 417.329 1.350 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1C 1588083234 CQCHHYSOUTXCDB-SFHVURJKSA-N 413.547 1.821 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1588138253 BDOASQNBXCELHH-DLBZAZTESA-N 402.520 1.070 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1589233976 OHGRVXKDHZAFIS-HXUWFJFHSA-N 419.551 1.217 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589495557 RZEUUNOAVLOFDF-UYAOXDASSA-N 404.559 1.558 30 10 HDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1594986026 MLZFCYCYZFOQER-UHFFFAOYSA-N 409.494 1.905 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1595021320 XLCUPLPJGFJHCE-OAHLLOKOSA-N 409.494 1.995 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1595536896 IDRRMSRGPBKURT-SFHVURJKSA-N 419.489 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1595689677 WQQPPDVDSOKDBV-MRXNPFEDSA-N 416.432 1.979 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1595830580 DIXPEJRERUMYFL-IXDOHACOSA-N 410.540 1.736 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OC 1596233150 HDBRLBDOAJBNJD-GOSISDBHSA-N 424.519 1.644 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)NO1 1602917332 AUMLQGAXPRMQPQ-CWTRNNRKSA-N 413.471 1.573 30 10 HDEE CC(C)CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1607305154 KDIQGZWXTXQBLB-VXPUYCOJSA-N 409.494 1.883 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1608138107 JTOGKGLIDNRZOM-IAFNSTAXSA-N 418.494 1.809 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1C 1611286089 DFZYCWABKAMENA-JTQLQIEISA-N 404.276 1.951 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@H](C)C#N)n2CCCn2cnnn2)cc1C 1612100269 WINWQNPEYPBTOX-CQSZACIVSA-N 422.497 1.820 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1619538863 CKWFTVCLUOTFFV-ZTFGCOKTSA-N 412.494 1.568 30 10 HDEE C=C(C)COCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1622717066 GNWDJOXIQQATHN-OAGGEKHMSA-N 416.540 1.366 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)C1=O 1623409091 BDEHRVWCPPNTRY-SFHVURJKSA-N 424.501 1.382 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCSC[C@@H]3c3nn[nH]n3)CC2=O)cc1Cl 1625611331 GJQKJAKZYSCEHK-SMDDNHRTSA-N 417.882 1.394 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H]2CS(=O)(=O)NC)c(C#N)cn1CC 1625717815 DBBKFXKWEUEMDJ-CYBMUJFWSA-N 411.484 1.102 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CCC2(C)C)CC1 1627014898 FKNRUQBOTUZAFR-GOSISDBHSA-N 420.554 1.306 30 10 HDEE N#Cc1ccc(CCNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 1629243209 ZNEYUYYBHYQZGK-GOSISDBHSA-N 404.426 1.147 30 10 HDEE C#CCN1CCCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1629542366 KUYSDLBDYOPYGR-OAQYLSRUSA-N 404.511 1.700 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](O)c1cccnc1 1631958074 LMRBTDMEEMQOCJ-UONOGXRCSA-N 408.336 1.762 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCc4c(cccc4C(N)=O)C3)C2=O)cc1 1634919350 YWWWIDBTYSGTBY-FQEVSTJZSA-N 417.469 1.526 30 10 HDEE C=CCC[C@H](CO)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1634986124 BFPPHABGOWVPTO-PKOBYXMFSA-N 407.486 1.470 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1635343145 NAASYVTVYADOFW-MRVPVSSYSA-N 411.705 1.807 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)C2)CC1 1636135896 VTKZBFKWYDVGPS-IMJJTQAJSA-N 400.435 1.413 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1637884786 BGZILGAEEOYHFQ-RTBURBONSA-N 420.535 1.107 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1639491286 QXERMLPVPZAMGW-SECBINFHSA-N 401.370 1.226 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)c1 1640145318 MTQOHLOYKYEADU-LJQANCHMSA-N 422.547 1.839 30 10 HDEE C#Cc1cncc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1 1641462191 KIABXDBOKZBGOK-UHFFFAOYSA-N 417.513 1.759 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1cncc(C#N)c1 1645983333 FXKJKTVVHZNGBZ-INIZCTEOSA-N 422.507 1.809 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4ncccn4)CC3)C2=O)cc1 1645983385 HWRZICWNCUEXNH-SFHVURJKSA-N 418.457 1.959 30 10 HDEE N#Cc1csc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 1647980231 SEPMDAWMBFRNCW-CQSZACIVSA-N 406.489 1.402 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1648010911 CWBFJEKRIXIKKL-VCBZYWHSSA-N 413.540 1.162 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)c1 1648070842 CEPZPRBHJMCJFM-OAHLLOKOSA-N 424.519 1.629 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)Cn2cc(C#N)c(I)n2)cn1 1652916583 SPFHWJGDWKXROI-UHFFFAOYSA-N 416.200 1.041 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)COc3ccc(C#N)c(Br)c3)C2)nn1 1653506657 LZEXXDZZIQPASJ-UHFFFAOYSA-N 404.224 1.577 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1663332868 AQRGGGVBCSWRPD-QWRGUYRKSA-N 405.373 1.729 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1663413826 JGOZNBCTEPSWSC-OAHLLOKOSA-N 403.545 1.581 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1666148074 ABXKROBRJNSGFX-INIZCTEOSA-N 404.467 1.450 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1667480156 CEFKIEDGQLWYNY-LJQANCHMSA-N 418.563 1.758 30 10 HDEE C=C(C)CONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1667570324 JCQLKKNBUCYTJJ-UHFFFAOYSA-N 424.523 1.937 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(C)c(C#N)c3)C2)cc1 1672518606 RVLZHKDUUPOYEV-UHFFFAOYSA-N 414.487 1.748 30 10 HDEE C#CCN1CCC(NC(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)CC1 1673192107 CVAGEJMOHCXAFE-UHFFFAOYSA-N 404.515 1.972 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ccccc2OC[C@@H]2CCCCO2)c(=O)nc1O 1673774355 HUWWEUXCZGVVDC-HNNXBMFYSA-N 413.434 1.590 30 10 HDEE CCOC(=O)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 1679053064 GGGALXSCVBQZOR-WOPDTQHZSA-N 422.404 1.929 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(OCCOCCOC)c2)CC1 1680813945 BHJJYGUZAKVPFR-UHFFFAOYSA-N 403.479 1.722 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2=O)cc1 1682021505 HKRNTFGYYRGNRS-ROUUACIJSA-N 405.462 1.345 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCCN3CC(F)(F)F)CC2)c1C#N 1685076318 GVUNQPBVLABNBR-CQSZACIVSA-N 413.448 1.459 30 10 HDEE CC1(C#N)CCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1685561921 LVOQNIHKZHMJRP-CQSZACIVSA-N 405.499 1.542 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1685771904 ABSYLGKKVZEKRD-ZDUSSCGKSA-N 400.292 1.603 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C2)nc1 1687789517 CVSANQPPSIQYEV-JKSUJKDBSA-N 408.466 1.314 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1689910622 LVZCKOFWGALUMO-QGZVFWFLSA-N 409.494 1.691 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCCN1CCC(O)CC1 1689974931 CVBFZYIFFFVGTP-UHFFFAOYSA-N 401.486 1.912 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1690326905 HFRGTSDCDCUXJE-UHFFFAOYSA-N 406.918 1.715 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1690484629 AJNBDDMSGLRWHT-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1692218699 KJIGAPKQLODNNH-QFIPXVFZSA-N 424.553 1.136 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1692847910 JLTDXHIBRJLBBC-HOTGVXAUSA-N 407.540 1.737 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1696990397 DDQLUNGOEGMVHV-GOSISDBHSA-N 412.494 1.585 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)cc1 1698489462 RBFBTOKPARWHRN-FQEVSTJZSA-N 414.441 1.570 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1705497950 KTMWZZUYFKTJLK-FZFLATATSA-N 405.462 1.248 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1705659832 HMLGQJHLNUEZOA-UHFFFAOYSA-N 418.611 1.902 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1705947167 CCFDJUXBXHMVKO-UHFFFAOYSA-N 401.540 1.645 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)C2)n1Cc1ccc(C#N)o1 1706892682 RJKHYUAXSDKLPN-GFCCVEGCSA-N 408.484 1.016 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCN(C)C1 1709128152 FEVKFJHYXIDHLK-QHCPKHFHSA-N 423.565 1.491 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1709943033 MRFZJUGJVMMEHX-DLBZAZTESA-N 421.498 1.815 30 10 HDEE CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C(C)C 1709957218 BZLQXPUQKCMQID-INIZCTEOSA-N 422.511 1.359 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)CC1 1710264104 HASJAAPZRLHLBD-QGZVFWFLSA-N 416.574 1.182 30 10 HDEE COCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCC1 1712341143 DRQZKGHMAFIRGD-QGZVFWFLSA-N 416.526 1.726 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1712879673 JCKPLJJYPLBEOV-YWZLYKJASA-N 422.424 1.247 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722277426 NITSHNZHICRQEK-ZIAGYGMSSA-N 422.530 1.600 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722322574 UQQAGWXORDTPOF-INIZCTEOSA-N 422.493 1.379 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1722404388 BHIJMWQWHRDRQQ-KRWDZBQOSA-N 405.300 1.974 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)CCC)CC1 1722432581 BHEBNQILUHRQLV-NHCUHLMSSA-N 405.543 1.237 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1722507299 HUSLQVHFMQBHJG-IRXDYDNUSA-N 411.572 1.902 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722536857 RGEYRMUYNVWPBJ-RTWAWAEBSA-N 421.542 1.613 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722629031 KXEFAMXWSPDYEZ-AWEZNQCLSA-N 404.540 1.893 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N(C)C 1722869291 HQMMLOBANKLHBS-ZDUSSCGKSA-N 403.512 1.344 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCn1cncn1 1722936905 BYARROCWDGEZEZ-UHFFFAOYSA-N 407.482 1.693 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1730481501 QCDVUHARNPSLSF-FXAWDEMLSA-N 401.442 1.797 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1cc(C)no1 1736483763 JDGMVPCMZJGFLS-VTRWRZSMSA-N 403.479 1.729 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1740629218 FUHPGXYUOJBRGP-UHFFFAOYSA-N 414.473 1.216 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CCOC 1740750698 TWESVMMYMSLFPO-ROUUACIJSA-N 416.526 1.862 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(N)=O)C1 1740789481 FGWXETGRXNESBI-MRXNPFEDSA-N 413.478 1.621 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1740823768 NWCKMUVQCWXPQI-ROUUACIJSA-N 402.543 1.742 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccsc1 1740960481 SNRTUDYMNLWWOW-CQSZACIVSA-N 409.537 1.180 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1ccc(F)cc1 1740963717 UXVXDOXGQFEAAZ-UHFFFAOYSA-N 414.485 1.868 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741571804 HFJHGKMZFAQSSM-FUHIMQAGSA-N 406.506 1.581 30 10 HDEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1741751577 YNUWILRFHQYMHU-BBRMVZONSA-N 402.496 1.145 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1747534612 FCBWPUVOMURKIJ-ROUUACIJSA-N 421.505 1.542 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748757906 OUILJCTYYBXDST-UHFFFAOYSA-N 415.563 1.948 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1748888919 BBBVBABSPJEWEN-UHFFFAOYSA-N 407.474 1.275 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sccc1C 1748962658 NLTPRQGESKQMCW-HNNXBMFYSA-N 408.549 1.684 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN(C)C(=O)OC(C)(C)C)CC1 1748999966 IKXUORAYEFWZEJ-UHFFFAOYSA-N 420.558 1.827 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1749043213 BHLMOQYLBRSGSE-UHFFFAOYSA-N 411.578 1.235 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1749353493 UPOGMFMTYKKGRV-GJZGRUSLSA-N 423.470 1.062 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1749427041 KFMDXEVDYUATTN-QGZVFWFLSA-N 423.583 1.889 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1749486977 AEQVBWXQJANJSQ-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)C(C)(C)C 1749597633 KBAQQCJAKMSWEQ-UHFFFAOYSA-N 408.528 1.587 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1749600349 WNLJYYDYTXXEQK-MRXNPFEDSA-N 423.539 1.667 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)C)C1 1749716849 DHHVDCUCGKDKKC-GOSISDBHSA-N 415.542 1.836 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)(C)C)C1 1749717671 OIAZGQHJHAPGQH-INIZCTEOSA-N 418.542 1.487 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@@H]1NC(=O)CC1(C)C 1749832437 HXGCTGDWOBBBEE-KRWDZBQOSA-N 411.510 1.545 30 10 HDEE CC(C)(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1750453548 IBWZBGBDQGDOCZ-SJORKVTESA-N 416.551 1.868 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1750969761 DYDJOYODMCWIOS-KGLIPLIRSA-N 421.502 1.058 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)n1 1751836889 ACFDDOBCJBPTNV-AWEZNQCLSA-N 421.571 1.949 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC=C 1760106893 IMPFJHQKPJMSMI-CQSZACIVSA-N 402.476 1.733 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)CC 1760121598 WWWXUOWXFXPDON-INIZCTEOSA-N 404.536 1.965 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1760140348 KNXLWWLOUUXUNJ-UHFFFAOYSA-N 409.538 1.326 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCn1cncn1 1760249873 UPEOZMSDBOKBNY-SFHVURJKSA-N 409.450 1.168 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C=C)cc2)CC1 1760259993 KHUSDKGNXANPPH-HXUWFJFHSA-N 404.518 1.870 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCO2)CC1 1760268803 PKMXLKLJTZYPLM-QGZVFWFLSA-N 409.494 1.270 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COC)C1 1760272681 RVBXKEJXRMBHSQ-OAHLLOKOSA-N 400.508 1.765 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1760406669 JGRGCYNXVRCOOZ-UONOGXRCSA-N 412.560 1.158 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)c(F)c1 1760515554 XSKAHJHOOKTZSY-UHFFFAOYSA-N 406.437 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 1760555797 NRDUVGRDBSOWHB-MRXNPFEDSA-N 411.572 1.303 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)CCOC 1767574001 CQTQMNKZEOJCEX-QVKFZJNVSA-N 414.510 1.423 30 10 HDEE CO[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1768018820 RITZPPAISHLJPO-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE CN(C)C(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1768438696 CAIDDEBBUICNFJ-AWEZNQCLSA-N 418.448 1.744 30 10 HDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768470019 BNMRHCWDXRYOLT-RBUKOAKNSA-N 423.521 1.546 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1770349386 ZFQSZIJOKLECHK-SJORKVTESA-N 410.478 1.597 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1772793308 XHVBWSKUJPLIME-GFCCVEGCSA-N 408.366 1.565 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1848717088 JBFWHRJZQCUTRX-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE CON=C(CN1CC[C@H](N2CCNC(=O)C2)C1)c1sc(-c2ccccc2)nc1C 1852498244 AKSMIQCCDQJHAU-KRWDZBQOSA-N 413.547 1.975 30 10 HDEE CS(=O)(=O)N1C[C@H](C(=O)NCC#Cc2cccnc2)Oc2ccc(Cl)cc21 1853100234 QWKNEZWXRSATEU-QGZVFWFLSA-N 405.863 1.430 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1C#N 1853332358 SGPKQOBEBNFTQO-NSHDSACASA-N 419.429 1.768 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccn3)C(=O)C2)cc1 1854037402 JUXAAQYUPMYXEU-IRXDYDNUSA-N 410.455 1.116 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@H]2CCOC2)c2ccccc21 1854056375 SLOUOAIMZPOSHI-HNNXBMFYSA-N 411.439 1.663 30 10 HDEE CCOCCN1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1854097404 BIFIRIYALCWNKH-KRWDZBQOSA-N 418.925 1.801 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(Cl)c(Cl)c2)CCN1S(=O)(=O)CC#N 1854783772 MBMNZAZOAIQCAN-NSHDSACASA-N 418.302 1.839 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCCC[C@H](N4CCC(C#N)CC4)C3=O)C2)no1 1855597574 GBQIEYHYOMZHHE-SFHVURJKSA-N 413.478 1.198 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(Cl)ccn2)CCN1S(=O)(=O)c1ccccc1C#N 1855722683 DGGDETSZQPLFMH-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C(=O)C1(C)C 1856116334 XNHBRMFVGBBGAW-OAHLLOKOSA-N 413.474 1.794 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856496143 AVIDIOUVYBAXFH-QWHCGFSZSA-N 400.426 1.604 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)Cc3nc(C(C)C)no3)CCC2=O)CC1=O 1856652592 AODXGCWXNSCKMZ-HZPDHXFCSA-N 417.510 1.425 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nn(C)c3c2CCC3)C1)[C@H]1CCN(C)C1=O 1857050568 MBQPWXBRZSSCTB-QAPCUYQASA-N 413.522 1.006 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)c4ccno4)C3)CC2)n1 1857116096 CRSGLFZUFATVBJ-MRXNPFEDSA-N 409.446 1.721 30 10 HDEE COc1ccccc1OCC(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857175462 LPLNTFBGSHAYDX-KRWDZBQOSA-N 400.479 1.123 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(Cc4cn(C)nn4)CC3)CC2=O)cc1C#N 1857241872 USGSBJDFQJPGCF-LJQANCHMSA-N 406.490 1.896 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ncoc3C(C)C)C(C)(C)C2=O)CC1=O 1857446028 ARZIIYMXRZQCOT-HNNXBMFYSA-N 402.495 1.782 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccn23)cc1 1858241749 BZHQTSWSGVCMGL-OAHLLOKOSA-N 423.454 1.375 30 10 HDEE COCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C#N)c2)cc1 1858671403 KPMIDQBNBFAVME-UHFFFAOYSA-N 402.432 1.331 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCN(CC)CC3)ncnc21 1873562028 KCKODILFCZUWQU-UHFFFAOYSA-N 414.554 1.994 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010397460 LNGZVXCHSKFORU-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2229464333 OMCATASHQAZTHY-VBKZILBWSA-N 417.487 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243703375 WNHKJQDDTZLJLU-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCNC(=O)OC(C)(C)C 2247824705 ZRSJUHKIDBUMGX-UHFFFAOYSA-N 422.335 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247828224 MNLZTOQXIPHYJW-FKIZINRSSA-N 418.303 1.448 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856905 OQCRGYDEGUSGPY-OCCSQVGLSA-N 418.303 1.419 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)o2)OC1(C)C 2247862005 SSKUHZFSXAEFSW-UHFFFAOYSA-N 412.295 1.556 30 10 HDEE C[C@@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247917958 MUYMLJBKUABPSJ-OCCSQVGLSA-N 420.319 1.837 30 10 HDEE Cn1cc(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2255666797 ZGLUXEFBDQGDMW-SBUREZEXSA-N 422.338 1.724 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822015 IXZIKGPFSZDJRV-GOSISDBHSA-N 424.354 1.971 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258168434 CVPDCTWFACMLNB-IRXDYDNUSA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H](O)C(F)F)cc2Cl)OC1(C)C 2267356767 NRHTXSWHLQLTRH-MRVPVSSYSA-N 417.692 1.605 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCc2nncs2)OC1(C)C 2267368288 GXZFDAYVJAOAQL-UHFFFAOYSA-N 401.344 1.420 30 10 HDEE COCCSCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469259 SFIFLHHWYRKPDQ-UHFFFAOYSA-N 407.388 1.705 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCN[C@@H](CCO)C3)sc2Cl)OC1(C)C 2281973220 RWMCNPPLBKPOMO-NSHDSACASA-N 400.737 1.497 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)[C@@H]1CCS(=O)(=O)C1 2281977089 KLUNWRQBDYEWOE-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](C)[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315501 OVSUIJLLONOLCJ-UOXLDJKESA-N 421.415 1.791 30 10 HDEE CN(C)CC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282315655 QQJYISBBWSXWCI-UHFFFAOYSA-N 420.793 1.883 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCO[C@H]3CC3(F)F)c2)OC1(C)C 2282336418 CTTXGCAPNLVZEG-NSHDSACASA-N 409.285 1.750 30 10 HDEE CNC[C@@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336857 HKHIKKBGGVAYTK-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN1CCC[C@@H]1CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341183 OXJLWCAGHSXQDT-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H]1CC[C@@](CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282346529 OOKDFBXORORHHJ-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CCC1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCNCC1 2282491631 OIBWFUYBWMFMMC-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE C[C@H]1NCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512791 VUFPHLACGMZOPD-BXUZGUMPSA-N 400.737 1.668 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@](C)=O 2282828145 JKMLWSNVWQZPDA-FTJNGKRUSA-N 421.777 1.685 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H]2N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282834134 PTQZBMYHUMNNCL-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](CO)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839573 FZPWFHWFXRAOKU-OLZOCXBDSA-N 401.359 1.747 30 10 HDEE CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848526 OKGZBVXKGZVLKW-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccccc1O 2328465539 PGVMZIBQHQWBCH-UHFFFAOYSA-N 412.431 1.942 30 10 HDEE COc1cc(OC)c(OC)cc1C=Nn1c(CNC(C)=O)nnc1SCCCO 2330784250 ZGWSTNDZBZRDGN-UHFFFAOYSA-N 423.495 1.297 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2365195851 GFEBIZDCWXREBQ-CVEARBPZSA-N 402.557 1.673 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2365196427 LYUDOSVZJZXJJT-ZMYBRWDISA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365208067 BUAHXQDEBBCJEY-LVQVYYBASA-N 400.541 1.555 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367804090 PPYYADFIVIOFMF-OWCLPIDISA-N 400.541 1.617 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367806913 OJEYEOCUUADOED-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367825151 OPJRUASOFNZWNI-CLCXKQKWSA-N 400.541 1.292 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)c1ccc(F)c(C#N)c1 2382021995 XVXATANVQFCADX-UHFFFAOYSA-N 406.180 1.836 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCCC(=O)Nc3ccccn3)n2N)cn1 20921339 FBXOQYCARJTNPX-AWQFTUOYSA-N 414.499 1.731 30 10 HDEE C#CCN(CC(=O)N[C@@H](c1ccccc1)c1nccs1)[C@H]1CCS(=O)(=O)C1 250680731 YDYHSYNLXIVHJD-WMZOPIPTSA-N 403.529 1.471 30 10 HDEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 448238554 JBQMXQNUWATCKF-UHFFFAOYSA-N 401.510 1.517 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460187861 HDORVDPTQDLPAU-UHFFFAOYSA-N 418.523 1.514 30 10 HDEE Cc1c(F)cccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 462444327 JWVYAIUMSDYGOS-UHFFFAOYSA-N 423.491 1.701 30 10 HDEE COc1ccc(CN2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(OC)c1OC 466985565 WNAPFOJOCNFSGE-AWEZNQCLSA-N 414.466 1.081 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(N4CCCC4=O)ccc3F)CC2)c1C#N 471711320 HVIDKQHWNUTZQK-UHFFFAOYSA-N 410.453 1.829 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1C#N 489016593 ULENUGNGBLZPAW-UHFFFAOYSA-N 420.516 1.098 30 10 HDEE CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1cnc(C)c(C#N)c1 489633513 YCIFNHJBLQBKHD-CYBMUJFWSA-N 410.496 1.119 30 10 HDEE CN(C)[C@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 489759335 IJXUQDVJCNEGCO-MSOLQXFVSA-N 419.551 1.447 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)o1 498112160 RDXMHJYRYKINSB-CYBMUJFWSA-N 405.457 1.709 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCC(=O)N2CCOCC2)cc1 502469157 RKZBPKUSDHGRDN-INIZCTEOSA-N 402.476 1.037 30 10 HDEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503640624 BOEJQFJLLVJQPV-UHFFFAOYSA-N 406.508 1.270 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3c4ccccc4C[C@H]3C(N)=O)C2=O)cc1 504903029 NOGXJEHSWMGKCT-WMZOPIPTSA-N 417.425 1.206 30 10 HDEE Cc1c(NC(=O)CSCC(=O)N[C@H](C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 505929015 YFBTWQRMSBVJIF-MRXNPFEDSA-N 413.503 1.575 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1 506185866 DHDDBNCYUASHJU-BTYIYWSLSA-N 423.510 1.508 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(OC)c1 511073672 QFWPOYWIFZQKAD-QZTJIDSGSA-N 412.552 1.519 30 10 HDEE O=C(CN1CCN(CC(F)(F)F)C(=O)C1)NCC#Cc1cccc(C(F)(F)F)c1 513406108 MYEHEODBUIBBCS-UHFFFAOYSA-N 421.341 1.880 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1C 524917780 BEPLOMDZABURLH-UHFFFAOYSA-N 424.465 1.024 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(Cc4ccsc4)CC3)CC2)n1 544876701 FWPIBVDGFBQLQH-UHFFFAOYSA-N 410.547 1.481 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@@H]1CCOC1 555488934 PGXHYOMIYPZEDO-INIZCTEOSA-N 424.509 1.046 30 10 HDEE CCOC(=O)C[C@@H](O)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 555559881 YRWDICMXDQARMM-HZPDHXFCSA-N 424.295 1.472 30 10 HDEE N#Cc1ccc(N2CCO[C@]3(CCCOC3)C2)nc1N1CCO[C@]2(CCCOC2)C1 557700800 XHWZOQJRSONNRU-FGZHOGPDSA-N 414.506 1.725 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNc3nc(C)cc(C#N)n3)cc2)CC1 561179073 ZCPMUSXBIRHWJS-UHFFFAOYSA-N 408.506 1.854 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 566750117 CPYBPIMZKXVDNU-QGZVFWFLSA-N 423.514 1.963 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 567101042 MVJVZTIXGJICON-MRXNPFEDSA-N 401.444 1.511 30 10 HDEE Cc1nc(O)nc(O)c1CCc1nnc(SCC(=O)Nc2cccc(C#N)c2)o1 585191224 JJVGNUNHTPEMML-UHFFFAOYSA-N 412.431 1.967 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(F)cc3C)C2)CC1 605061849 XAIIBAJIRCRQNJ-IBGZPJMESA-N 417.529 1.732 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)c(F)c1 609255992 QQFHMIUQZRBLSE-UHFFFAOYSA-N 400.385 1.928 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804567 JTKHIQJEFATLPE-XLIONFOSSA-N 409.538 1.905 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCC2)[C@@H]1CCS(=O)(=O)C1 731213246 YUYMUWOSBIZZKP-GFCCVEGCSA-N 410.517 1.084 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 732152709 GXQSPGWWSPDEMM-CWFNNOHCSA-N 414.462 1.895 30 10 HDEE COC(=O)[C@H](OC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1 740200442 JSMWTTGNRLQSJU-GOSISDBHSA-N 402.428 1.596 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(C#N)cc1 740201532 WJPCJIFBFYTTAJ-SFHVURJKSA-N 407.382 1.681 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)c1cc(C)n(C)n1 744982430 JMAWJKJHCRKSBM-UHFFFAOYSA-N 409.402 1.265 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 750302350 LMDKBUIHQRYODP-QWHCGFSZSA-N 419.434 1.935 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)CCN1C1CC1 765301543 BWZSUWUQMINXAD-GOSISDBHSA-N 403.508 1.108 30 10 HDEE COc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C#N 767823561 MIUJLOCAXYYMKE-UHFFFAOYSA-N 413.455 1.673 30 10 HDEE O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 776591908 RGRGUOWPMIYXHA-BPUTZDHNSA-N 419.503 1.750 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2cccc(C#N)c2)[C@H](C)O)cc1C 777289631 AMHBREGVDLIVIS-KXBFYZLASA-N 402.472 1.946 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c(OC)c1 780905550 SDLWZDCHYOMHBB-HXUWFJFHSA-N 409.442 1.593 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CCO1 800021460 JWPZMOGYRKCFMV-HZPDHXFCSA-N 414.325 1.925 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 801551478 PDKBINQDRPLOFB-INIZCTEOSA-N 401.435 1.109 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1C#N 803299611 MORJSRBJKKVOQT-INIZCTEOSA-N 422.485 1.897 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1 914595852 QMLSZOYQXIHREE-ZDUSSCGKSA-N 402.428 1.911 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@@H](C#N)C(=O)Nc3cccc4ccccc34)cnc21 916916600 XHEDKHVYBQHXSF-OAHLLOKOSA-N 400.398 1.631 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1115913762 WNJVVFFZESSKBX-GOSISDBHSA-N 400.442 1.527 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125188310 BKMLIGXUBDAUKY-SFAXUQRRSA-N 408.524 1.989 30 10 HDEE COC(=O)[C@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCC(C)(C)C1 1131384122 NWOXNGZLCBZJRG-IBGZPJMESA-N 407.492 1.353 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1134295507 QTXKTNQHPXIGOJ-HNAYVOBHSA-N 414.524 1.051 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3nc4c(cc3C#N)C[C@H](C)CC4)CC2=O)cn1 1135108484 LEDJIMWTGVJUFK-RHSMWYFYSA-N 422.489 1.913 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1N)[C@H]1CCS(=O)(=O)C1 1136355538 ZPTFJWYDLDGUEA-JTQLQIEISA-N 418.256 1.136 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1142008204 SEJMYIMGAGNQFZ-GCJKJVERSA-N 417.465 1.361 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(C)(=O)=O)nc3)n[nH]2)c1C 1154913109 DQZIXLANZHYLRI-UHFFFAOYSA-N 414.491 1.805 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)c1C 1155846922 KNVUSELDLOELRF-UHFFFAOYSA-N 419.503 1.634 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1156248051 XBHDONOLXHQHJJ-INIZCTEOSA-N 413.503 1.887 30 10 HDEE C#CCN(C(=O)[C@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C1CCN(C)CC1 1156646593 JEVJJPYWBCQHJC-AWEZNQCLSA-N 401.536 1.618 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)CCOC1 1167320636 GKDWQBFHCGYVEJ-OAQYLSRUSA-N 412.446 1.340 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1CCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 1171499118 NBVSOOXAJNGNNJ-OAHLLOKOSA-N 402.499 1.898 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1185754439 VGJCYEKTIMMXOR-CABCVRRESA-N 422.569 1.391 30 10 HDEE CNS(=O)(=O)c1ccc([C@H](C)NCC#CCN2C(=O)c3ccccc3C2=O)cc1 1192890883 QNWIXRCRNNOKRX-HNNXBMFYSA-N 411.483 1.545 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1194088532 SMGAIRGOAUWQRE-SECBINFHSA-N 410.261 1.980 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(F)cc1 1195963285 JMPJMCKZDUZYHR-PKOBYXMFSA-N 414.437 1.964 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)c1 1196245373 RBYAUQATXNRJLU-FQEVSTJZSA-N 417.487 1.754 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2nc3cc(S(=O)(=O)CC)ccc3o2)C1=O 1210619249 HSNMMRUDGGQHEA-AWEZNQCLSA-N 406.464 1.872 30 10 HDEE COC(=O)c1cc(Br)cc(NC(=O)NCCn2cnc(C#N)n2)c1C 1219184933 AVTMKCBKVQHKNQ-UHFFFAOYSA-N 407.228 1.829 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1225030571 GESCXPARXPLYOP-SJLPKXTDSA-N 405.520 1.699 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1225936891 GPLXGUWPTWPJBJ-RBZJEDDUSA-N 421.498 1.664 30 10 HDEE C#CC1(O)CN(C(=O)NC2CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC2)C1 1231275292 ODXGMJOCQGEUSI-UHFFFAOYSA-N 422.526 1.014 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1253353900 CXRFHPCPVXBSSE-IRXDYDNUSA-N 407.511 1.437 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCOC 1286288576 HYWQICAQROARKH-HNNXBMFYSA-N 410.478 1.313 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1286355146 ZWLYKICTJFYKJZ-UHFFFAOYSA-N 401.540 1.899 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1286363211 KXIBWIWZNJRLEH-QFIPXVFZSA-N 411.506 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1nnn(C)n1 1286432735 VOTGLEZJKHMBLP-UHFFFAOYSA-N 404.478 1.107 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1286711931 RITWSBJRHRPLNM-CVEARBPZSA-N 412.556 1.777 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)[C@@H](C)C1 1286875141 AUNNDAGWNVACEP-OYHNWAKOSA-N 421.505 1.352 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1288233109 BVMPLUNEFHALIQ-UHFFFAOYSA-N 407.522 1.873 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1288507119 HNYBJGKHXCMXFR-NSHDSACASA-N 424.387 1.342 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1288537060 AUPMCQFWFACMND-NSHDSACASA-N 423.399 1.195 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1CN1CCCC1)c1cc[nH]n1 1290363829 YTWWCBXMWDBAOX-UHFFFAOYSA-N 413.478 1.606 30 10 HDEE CN1CC[C@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1298877451 FPCAJXHLUHRIEF-LEWJYISDSA-N 424.509 1.122 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1300008267 OKXVVSLKNRVAEC-KPFFTGBYSA-N 404.532 1.806 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1300457787 APYZTNNLNUXZNC-MRXNPFEDSA-N 418.542 1.940 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1300602441 RFLFTIFUQVXBBR-IAGOWNOFSA-N 410.588 1.612 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(C)c(OC)c2)CC1 1300681570 UFUROWSDMPEPCS-UHFFFAOYSA-N 424.549 1.731 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1300899597 GYWSPDVBEJYREU-OAHLLOKOSA-N 407.540 1.831 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C#N)C1 1301054735 VLDFADVISNYCLU-DZGCQCFKSA-N 405.430 1.676 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1301262498 VTDDJAJOMRQFNV-UHFFFAOYSA-N 405.524 1.903 30 10 HDEE COCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1301601280 ARGLMWZVMFVBLW-UHHPSXQGSA-N 418.498 1.171 30 10 HDEE COCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301636114 CQTOMTRVWFTTMU-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCC=CO1 1302096151 XKPRKWGWDKECIM-NZSAHSFTSA-N 416.526 1.871 30 10 HDEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307451029 OGZIIJKPLIVBPR-WOJBJXKFSA-N 408.546 1.776 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)C1 1309662050 PFOMDGCSZHWYDY-ORAYPTAESA-N 407.492 1.727 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 1312482633 YPRUXEMLJLUKTF-NRFANRHFSA-N 411.462 1.822 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc(CC4CC4)n3CCOCCCO)CC2)nc1 1316533800 DWELGISDPACMKL-UHFFFAOYSA-N 411.510 1.223 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OCC 1323847128 VLHWWNGHCSEPQB-INIZCTEOSA-N 416.521 1.257 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1358872879 ZROKUXSTXBEHDL-GJZGRUSLSA-N 420.539 1.578 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1358889385 BDFMXGQIABHHBG-HIFRSBDPSA-N 402.476 1.415 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H]1CCOC1 1358927015 JVYMYJCXLMDQJL-HNNXBMFYSA-N 402.524 1.877 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1358966230 KEUUBRFPLPAPIO-KRWDZBQOSA-N 406.552 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@@](=O)CC 1358968173 AYFPDJMACFPPKH-LJAQVGFWSA-N 411.531 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1358978955 YYJDKIRDTQZJEV-SFHVURJKSA-N 402.462 1.269 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCN1CCN(C(C)=O)CC1 1358988273 JRKZYCKBAJQWHX-UHFFFAOYSA-N 408.506 1.474 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359014213 AQPSNGPJFPGYGU-CABCVRRESA-N 401.433 1.852 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(C)c2C)CC1 1359031714 NCXZGPJBJDCVGV-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1 1359331484 ANXQCQVPQFZYJJ-QGZVFWFLSA-N 417.535 1.857 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2cccc(C#N)c2Br)C(=O)N1c1cnn(C)c1 1361060503 YIBIPJNOCSVIJS-HZMBPMFUSA-N 402.252 1.978 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1439979560 IVDZBFVMANDGDJ-MRXNPFEDSA-N 422.503 1.871 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1454244057 HDWCFVBVUVNHQM-UHFFFAOYSA-N 423.477 1.878 30 10 HDEE C#CCN(CC(=O)NN1C(=O)N[C@](CC)(c2ccccc2)C1=O)C(=O)OC(C)(C)C 1457482653 YIMOVRREVLIILE-OAQYLSRUSA-N 414.462 1.745 30 10 HDEE COc1c(Br)ccc(F)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463165661 XRHQPHDHXNQAGZ-BJOHPYRUSA-N 417.256 1.607 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1463691783 SKLFKUYCTJGLII-MRXNPFEDSA-N 416.565 1.775 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1 1464509208 YLEQVYKUUQCFOO-UHFFFAOYSA-N 401.511 1.524 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nccs3)c2)CC1 1465364888 IUORVRDXAXWVDZ-UHFFFAOYSA-N 405.505 1.427 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1466821413 GTLQGFDILGWUTC-GOSISDBHSA-N 412.471 1.469 30 10 HDEE Cc1[nH]nc(Br)c1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706008 FFAGMYDMYHPLCA-CYBMUJFWSA-N 402.252 1.883 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1468576897 BFHJIVAZMHSXFO-ZWKOTPCHSA-N 421.906 1.923 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cc1 1470229018 HYNRJLNUQDIYCT-UHFFFAOYSA-N 423.498 1.760 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)C1CCOCC1 1470866628 URXHZSFJTGLQCK-LAUBAEHRSA-N 407.511 1.836 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H]3CCC[C@@H]3C#N)c2)CC1 1471051972 XVOBTJBBLXWOQR-IEBWSBKVSA-N 418.519 1.304 30 10 HDEE CC(C)(CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(=O)OC(C)(C)C 1472370108 CSVIAQPOLYEAIM-UHFFFAOYSA-N 405.455 1.287 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1473286180 FWAFKZOEOAKVDH-LJQANCHMSA-N 417.465 1.994 30 10 HDEE C[C@]1(C#N)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)C1 1473664249 YFVGVSRJYBXQLR-OAQYLSRUSA-N 416.547 1.986 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)nn1 1478854302 BONCPNBBIHGGSN-UHFFFAOYSA-N 411.510 1.547 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499657487 AERBUZMPSKSXHF-LTDXQCTPSA-N 402.499 1.933 30 10 HDEE CC/C=C\Cn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1499817551 JSYGAVCQNAJCAH-WAYWQWQTSA-N 418.509 1.942 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](F)(C#N)C1 1503275134 WGHFTHYPJZSYHQ-QGZVFWFLSA-N 410.475 1.618 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1507538821 PDNSZECIIOPMMJ-YJBOKZPZSA-N 414.531 1.816 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccnc1)C(C)C 1507600690 JZPQBPATYRUTPQ-NVXWUHKLSA-N 404.540 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCCCS(C)(=O)=O 1507669853 TXRPLGYMRXCKSB-SFHVURJKSA-N 406.552 1.850 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507840303 PFTLXKBHIAVITJ-UHFFFAOYSA-N 413.526 1.143 30 10 HDEE C=C1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCS(=O)(=O)NC)CC1 1507884644 KULQMRMDFDFNIM-KRWDZBQOSA-N 419.507 1.496 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1508112722 RCNDDUUBTSNLDQ-SJORKVTESA-N 417.535 1.946 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1508147894 MLKNRUYHMMXEGR-UHFFFAOYSA-N 422.555 1.712 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508153226 IWXSWENXTGQJJI-UHFFFAOYSA-N 422.580 1.777 30 10 HDEE Cc1cnn(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1511424684 RGZXAKBLYGDNRV-PXNSSMCTSA-N 415.498 1.253 30 10 HDEE CCC1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1514099863 WZQFEEJHVSKPLQ-ZZEZOPTASA-N 424.509 1.831 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OCC)CCOC1 1515123348 HLMRWCSJQZUMTF-HXUWFJFHSA-N 404.515 1.586 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(C3CC3)nnc2N2CC[C@](F)(C#N)C2)c1 1517619519 BGIPWBZRTJYAJP-SFHVURJKSA-N 404.471 1.554 30 10 HDEE C#CCN(C(=O)NCc1cc(Cl)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1528205589 KSEQJOSUSIWOLI-CYBMUJFWSA-N 400.884 1.689 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1538974128 RBANVUWCSGNIKL-JJRVBVJISA-N 423.514 1.873 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1539022979 SOOCPNSLUVCNQA-MRXNPFEDSA-N 424.530 1.612 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1539342918 BYYWZQJHEPCIFT-AWEZNQCLSA-N 422.530 1.601 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1539369673 NZBMUYNKMIFYMD-QGZVFWFLSA-N 421.567 1.651 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(F)(F)C1 1539416475 ONJKLHKPRDXAMH-LSDHHAIUSA-N 416.494 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCC[C@@H]2CC)CC1 1539446782 IPEJYMOEAFONIQ-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNC(=O)C(C)C 1539628274 OVUCCSWSMNEZKO-JZXOWHBKSA-N 418.542 1.419 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539723047 WJTRVKUEDXNCHX-HXUWFJFHSA-N 404.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](COC)C1 1540864594 FRKIYACLFPPMQJ-MRXNPFEDSA-N 405.886 1.752 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1 1540869485 OPRIVQHNXRFMJT-LBPRGKRZSA-N 408.915 1.883 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541806199 GUJBWGKCOHDPAM-AWEZNQCLSA-N 417.495 1.016 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cnnn1 1555071297 WYGBBFNIUOCPJN-LJQANCHMSA-N 411.445 1.396 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1555271190 BHVOSDGNCXFBHU-SFHVURJKSA-N 424.484 1.861 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)CC3)n2CC(=O)N2CCOCC2)c1 1555986852 DCRKXVDWQUGIKV-UHFFFAOYSA-N 416.432 1.911 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1558707433 PFSJRDMCTZPCII-KXSVDRQTSA-N 421.494 1.564 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@@H]2CCO)CC1 1559959595 HNMWFFJMHVESGV-HKUYNNGSSA-N 404.486 1.468 30 10 HDEE N#Cc1ncn(CCNC(=O)N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 1564723747 GMPWMUABNRCFGA-ZDUSSCGKSA-N 412.404 1.606 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1)C1CCOCC1 1565105730 LGTVKQFPEWPPRR-SFHVURJKSA-N 414.506 1.389 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(SC(F)(F)F)nc2)CC1 1565589963 HAZTUHQQPVWNPL-UHFFFAOYSA-N 400.426 1.591 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)C1 1567388471 XTPYCSDFLBFPCT-VKDHPCIHSA-N 412.446 1.906 30 10 HDEE CNC(=O)N[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1567390727 ZYFIQKNMJCKDNV-AWEZNQCLSA-N 406.284 1.287 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ncccc2S(C)(=O)=O)c1 1568632402 NBODKPWMEZANFZ-UHFFFAOYSA-N 406.485 1.212 30 10 HDEE COc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)sc1S(N)(=O)=O 1570831785 WEIOGNVRGOGWPB-AWEZNQCLSA-N 420.516 1.627 30 10 HDEE C#C[C@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)c1ccc(Br)cc1 1583565235 FQNURRITWCPGBL-AWEZNQCLSA-N 400.294 1.833 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1584315329 QBSCESBMBYGVBJ-HKUYNNGSSA-N 403.504 1.666 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 1584964423 ANYRAOFOJIFKOV-RDJZCZTQSA-N 404.536 1.748 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1585708044 RIBICFZEJLISCD-ZACQAIPSSA-N 409.527 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1587568386 PRTJLWIICIQKIB-XQBPLPMBSA-N 419.570 1.745 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2)o1 1587966841 MGMZHMUDNRRTOJ-MRXNPFEDSA-N 400.483 1.477 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)cc1 1588018487 WPDGXMYHAWOZPD-PMACEKPBSA-N 419.547 1.872 30 10 HDEE C=CC1(CC(=O)NCc2nc(O)c3c(n2)CCOC3)CN(C(=O)OC(C)(C)C)C1 1588032307 GCBCTUGEXGAGMN-UHFFFAOYSA-N 404.467 1.684 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(C)cn1 1588174649 YYQHLNPNARUBSX-UHFFFAOYSA-N 402.462 1.593 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C)c2)CC1 1588924248 YAYDZVOJMCACAX-LJQANCHMSA-N 420.517 1.552 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593722516 SLAZCHZOASMFKR-QZTJIDSGSA-N 400.479 1.898 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCOC 1594963290 REGXRIHAEQNUEY-INIZCTEOSA-N 421.523 1.271 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1595765566 CXTUKMPVGPHTIA-UHFFFAOYSA-N 421.498 1.175 30 10 HDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1595850396 MLQZNZONMFBIAO-KRWDZBQOSA-N 409.519 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(CC#N)cc2)C1 1597576442 IVRIRTHFBVMXMW-QGZVFWFLSA-N 421.519 1.907 30 10 HDEE CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1597765608 CVCKKTDZABBDFJ-IRXDYDNUSA-N 404.515 1.012 30 10 HDEE C=CC[S@@](=O)(=NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 1618589354 KPFGQHONHFXMDX-LJAQVGFWSA-N 411.491 1.975 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCNC(=O)C2CCC2)CCO1 1620356445 YUQOOENMPPUOTI-GOSISDBHSA-N 409.494 1.299 30 10 HDEE C[C@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCN1c1cnccn1 1620685690 NWOYOCJQCWUDFD-INIZCTEOSA-N 402.462 1.683 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1NC(=O)CCn1cc(C#N)c(O)nc1=O 1622057944 CSFMPFSOPGNTCK-HOTGVXAUSA-N 409.490 1.483 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Br)c2F)CC1 1622067638 UNKUPKDUGAGIRY-UHFFFAOYSA-N 421.263 1.877 30 10 HDEE CS(=O)(=O)CCn1ccc(NC(=O)N2CCN(c3ccsc3C#N)CC2)n1 1623112096 HQBNUPAXMSVCNQ-UHFFFAOYSA-N 408.509 1.215 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C)c1cc[nH]n1 1625652282 YCUVUVGFHCMBBE-IFXJQAMLSA-N 401.467 1.501 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C#Cc2cccs2)C1 1625990173 RLKDEVZVLNLAOD-HNNXBMFYSA-N 405.520 1.979 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1626806990 ADEMGTMLOLUUTG-CABCVRRESA-N 404.410 1.756 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 1631764167 WAONBJONNFQDGU-HIFRSBDPSA-N 417.462 1.562 30 10 HDEE COc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)ccc1C#N 1633344164 KEOFJCXCIAKFRX-UHFFFAOYSA-N 417.443 1.546 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(O)nc(C3CCC3)n2)c1 1634465351 XMHNDDJANVRNFH-UHFFFAOYSA-N 402.476 1.844 30 10 HDEE Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)c1Br 1637516000 XZINHRRGKWBNRS-UHFFFAOYSA-N 403.236 1.897 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 1639083444 ZBAHQJSNVXXLIU-UHFFFAOYSA-N 409.370 1.715 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1=O 1639594965 WVFIDLLFGIOAKB-ZWKOTPCHSA-N 417.531 1.846 30 10 HDEE COc1ccc(C(=O)CCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1639821702 KKCQDQOGFLZYKF-OXJNMPFZSA-N 404.488 1.835 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)cn1 1640012721 IRZAUHGWYMXQIC-IXDOHACOSA-N 402.520 1.429 30 10 HDEE CN(C)C[C@]1(O)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1643208884 SXPKQLNBPVHVLF-HXUWFJFHSA-N 412.450 1.511 30 10 HDEE C#CCN(C(=O)CCN1CCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454946 SQAUHIIHPRJNFS-UHFFFAOYSA-N 413.540 1.273 30 10 HDEE Cc1ccc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)c(C)c1 1646270638 BAOUMXMCTBBNTE-UHFFFAOYSA-N 412.515 1.691 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1648014055 LOAKVZINDJBXRY-ILXRZTDVSA-N 403.545 1.619 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(Cc3ccc(O)c(Cl)c3)CC2)nc1 1648076112 BJKXGPIVCPWBEY-UHFFFAOYSA-N 420.922 1.904 30 10 HDEE CCc1ccc(C#CC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1648459024 SMSIINZQLDZQBM-IDYZSHNDSA-N 403.500 1.616 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H](NC1CC1)C(F)(F)F 1651257424 CPLNETTWBZRUMD-ABAIWWIYSA-N 418.441 1.414 30 10 HDEE N#Cc1nn(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] 1652117850 QOFOTHUSHLBGKT-UHFFFAOYSA-N 410.434 1.403 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(Cl)cc(Cl)cc2N(C)C)CC1 1653017167 ROGDKZOZRWYUAR-UHFFFAOYSA-N 405.351 1.645 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)c1cc(Br)cc(Br)c1 1654758869 OCDMWZYWFVWYJY-UHFFFAOYSA-N 412.103 1.792 30 10 HDEE CCOC(=O)C1([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCOCC1 1660421108 BCVKMWOHMFGFLJ-MSOLQXFVSA-N 408.543 1.017 30 10 HDEE C#C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OCC)c1ccc(Br)cc1 1662181617 PWRCWUWRLHHMJJ-GJZGRUSLSA-N 415.309 1.985 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1 1666657549 CWTYVTVOUASVHO-KRWDZBQOSA-N 403.508 1.366 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1671445759 AAPOFJAPTVXGPE-CQSZACIVSA-N 410.316 1.492 30 10 HDEE N#Cc1cc(CNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)ccn1 1672205067 CLBXBBCBRNRMIA-UHFFFAOYSA-N 408.237 1.776 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1674403232 IBHCRTCZRWMYIR-GOSISDBHSA-N 406.552 1.614 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1679908583 RWZWQFDHADGUES-UHFFFAOYSA-N 406.458 1.544 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCCN3CCSC[C@@H]23)C1 1681228446 ZCKNBHWGEZFKQK-JONQDZQNSA-N 409.556 1.624 30 10 HDEE Cc1noc(C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2)n1 1681328989 BUKLYRHDQQAJOC-TXPKVOOTSA-N 415.475 1.242 30 10 HDEE C#C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 1683513147 XYXLYZSTJNKGEH-XJKSGUPXSA-N 407.312 1.885 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1690528929 HFBJWKBCIXXWRP-UHFFFAOYSA-N 401.421 1.922 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1690642601 XPDHNPMGYZCPAL-GOSISDBHSA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCC=C)C1 1690659383 QXZDBLVXFPCYBO-OAHLLOKOSA-N 411.466 1.009 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)NCC)CC1 1690715554 OCUPWWCFADZVAT-OAHLLOKOSA-N 412.560 1.244 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1692664918 UJQIKIWGZZBHDS-MRXNPFEDSA-N 404.515 1.725 30 10 HDEE Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1693097439 SOTSPBPDQKYLRT-OXJNMPFZSA-N 400.458 1.670 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1696954499 JMPYNCGGAPHSIZ-QGZVFWFLSA-N 407.478 1.058 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1697788217 XWNUGWCPLQPYCO-GOEBONIOSA-N 416.457 1.380 30 10 HDEE COCCOCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698225543 BHUCYCGILXCZRC-UHFFFAOYSA-N 413.526 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1cn(C2COC2)nn1 1705575919 CKLOUVKFSPLTER-UHFFFAOYSA-N 403.446 1.238 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CC 1705593364 PCYAWBGOUROSHW-NRFANRHFSA-N 404.478 1.545 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1705612779 OWXVANMZVZZGCJ-KRWDZBQOSA-N 406.552 1.847 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705805859 QAKSYRIFGNKXIC-CABCVRRESA-N 416.569 1.160 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705822977 XIKNOEOMWURLFV-SFHVURJKSA-N 401.515 1.447 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1705835149 AYIGNIFVJXMXEM-UHFFFAOYSA-N 414.539 1.951 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705835620 PIMKWGWHZGAMKS-NIQRWSHPSA-N 416.482 1.079 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1710976115 HXNJKSRTIZFBRM-UHFFFAOYSA-N 421.505 1.496 30 10 HDEE COc1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1711664160 YZOXWUHLMFTRBD-CQSZACIVSA-N 418.885 1.855 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2c2cncn2C)CC1 1722167294 XUVZXNWZBXGGDD-UOICAXPBSA-N 422.529 1.400 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1722413550 NZNXYDOSQMOGOY-MRXNPFEDSA-N 407.496 1.020 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)CN2CCOCC2)CC1 1722435711 SFVJSTYCTXRYSN-HXUWFJFHSA-N 422.577 1.977 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)C)CC1 1722574270 JAVRTTVYXRPSOO-AWEZNQCLSA-N 412.560 1.205 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722620346 LMSWJLLVYVYYDC-DLBZAZTESA-N 416.526 1.164 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722693014 BFNVGBUMPLZHSJ-AWEZNQCLSA-N 403.870 1.900 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1722697653 OBNBKDLTFOBBKF-UHFFFAOYSA-N 400.527 1.687 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1722732755 OGPQIOMRBGPOLY-UHFFFAOYSA-N 408.572 1.895 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1722861638 AHIUBACMFRXYLU-KSFYIVLOSA-N 420.521 1.998 30 10 HDEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1726607499 XMOYQOKQYZEOOZ-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CCc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727578640 PBGMQEYQPMTBRJ-CVTQAYBASA-N 424.509 1.484 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1730065319 ZQVQVFFFNKPVMF-KRWDZBQOSA-N 423.477 1.682 30 10 HDEE COc1ccc2c(c1)nc(Cn1c([C@@H]3CCC(=O)N3)nnc1N(C)[C@H](C)CC#N)n2C 1730207542 AASOKNHXFSJWIW-HIFRSBDPSA-N 422.493 1.911 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCCC2=O)CCO1 1731187501 RCOZGFDKKFODOZ-IAGOWNOFSA-N 402.499 1.651 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1740531828 UZUNMSOSNFHDRL-CYBMUJFWSA-N 412.885 1.496 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1740616558 CNNIJQBJYNIYPS-GXTWGEPZSA-N 408.553 1.627 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1740620679 GYLCQCPZCWGBKG-OAHLLOKOSA-N 406.483 1.747 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740626804 NHIIECXDKUFTIO-DLBZAZTESA-N 424.567 1.471 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1740675061 CYJLXUXDHUCZLN-HNNXBMFYSA-N 414.514 1.986 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1740720477 ZYRIZPMWOINSRK-KRWDZBQOSA-N 413.551 1.842 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CNC(C)=O)CC1 1740720703 JUSUZOQBSOCOHH-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740791948 CHBVDUVSXCLVQZ-UHFFFAOYSA-N 401.515 1.656 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2CCCC[C@@H]2C1 1740962664 KTSTWGPNXJBBRY-LJQANCHMSA-N 424.549 1.876 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1nncn1C 1740995521 OJDWSZHWKJAXQB-HUUCEWRRSA-N 421.527 1.200 30 10 HDEE C[C@@H]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)C1 1742996741 AMBDPRYTBKSWDX-NCOADZHNSA-N 424.571 1.786 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C#N)C1 1747425195 CRXBWKYCWHEEJI-OAHLLOKOSA-N 422.511 1.247 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC(F)(F)CO2)CC1 1748987664 ZXGLETFYPCZFBJ-MRXNPFEDSA-N 402.449 1.828 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749426877 JFQRLRWKQBTIIK-RTBURBONSA-N 416.570 1.881 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1749465691 WCAZGRMHLKNOAM-KUHUBIRLSA-N 405.524 1.345 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC 1749538233 FTGZHTMKQCBZNN-UHFFFAOYSA-N 413.507 1.477 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1749597775 MLACUDFCQWNMJW-OXQOHEQNSA-N 400.483 1.712 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)C1 1750379237 CXCYZZVVNTVRGX-NRFANRHFSA-N 420.452 1.884 30 10 HDEE CC(C)(O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1750534673 KNFMZYZPGDTCSL-UHFFFAOYSA-N 418.505 1.628 30 10 HDEE C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1751148377 CCRRBXYEVRARLC-FZKQIMNGSA-N 405.503 1.662 30 10 HDEE Cc1nccn1CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1751809582 IAPVLXFTPQXXJJ-UHFFFAOYSA-N 409.519 1.981 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1\N=CC=CC1=O 1752740771 GKBBAHRYNXJFRG-NXOOQTOKSA-N 400.483 1.686 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1760099285 ZUVKLGBYDRZLKO-XHSDSOJGSA-N 419.555 1.429 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760138104 REQUTAZNKGOOIP-KZNAEPCWSA-N 407.584 1.903 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccn(Cc2ccccc2)n1 1760160902 SEXOLUARDOTNIR-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1760188281 OHJKFXNOFNHMAS-MSOLQXFVSA-N 424.567 1.616 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1ccc(F)cc1 1760208548 FJQJLYHUACTXOG-QFIPXVFZSA-N 411.481 1.926 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCOC)cc1 1760217767 LVTXHRGOOGHMOC-FQEVSTJZSA-N 421.501 1.766 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(C)c1 1760241007 LMPYPIOQTYQDHC-SFHVURJKSA-N 407.453 1.790 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[C@H]2COCCO2)CC1 1760270287 NZFUNOUBKFYOEB-SFHVURJKSA-N 417.554 1.638 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760286420 KXHSGDFABPCYAW-GOSISDBHSA-N 418.567 1.900 30 10 HDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760508753 JFJSXORIXSFFMX-HUUCEWRRSA-N 402.451 1.509 30 10 HDEE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1766683839 HTJXXGVRGJRPFU-YJBOKZPZSA-N 412.535 1.354 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1769304209 GLCKUFKUUULFGD-INIZCTEOSA-N 409.494 1.304 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(Cl)nc2)cc1 1771534685 KSBGUPHFYGRDGZ-UHFFFAOYSA-N 423.864 1.762 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOc2ccccc2)CCO1 1771539226 QVKCJFCQDLHLTO-GOSISDBHSA-N 410.478 1.598 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1772564681 RTLOBAYMLUBGBQ-OAHLLOKOSA-N 404.496 1.204 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1850297704 FTSGPBZRGOHWNG-LJQANCHMSA-N 407.511 1.584 30 10 HDEE O=C1C=C(NC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCC1 1851148861 OLGYAWQOXGOFBT-UHFFFAOYSA-N 405.495 1.961 30 10 HDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)C1CS(=O)C1 1851285505 PGAMIGLFOOGJFH-UHFFFAOYSA-N 412.212 1.423 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1)[C@@H]1CCN(C)C1=O 1851342456 GMTQKTKXJLFGMI-QGZVFWFLSA-N 423.560 1.283 30 10 HDEE Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)n1 1852915762 DPOQJEVGINUVFE-UHFFFAOYSA-N 419.493 1.345 30 10 HDEE C=CCN1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1853341491 OJINJLPCJWHHAF-UHFFFAOYSA-N 402.314 1.058 30 10 HDEE NC(=NOCCC(=O)N1CCC2(CC1)OCCO2)c1ccc(OC(F)(F)F)cc1 1853476058 JSCONVXHKLQSRT-UHFFFAOYSA-N 417.384 1.978 30 10 HDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c(C)c1C 1853952925 LOFXPVHIJNHCEA-UHFFFAOYSA-N 412.471 1.552 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1=O 1854026662 GZDILWUFBCMSEC-MRXNPFEDSA-N 416.503 1.834 30 10 HDEE CC(C)(CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O)C(F)(F)F 1854037369 JSGSMIHXPWKHQT-UHFFFAOYSA-N 417.409 1.896 30 10 HDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854068698 KYIBIANWLYUYOM-SJLPKXTDSA-N 403.504 1.444 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccn3ccnc23)C1=O 1854140549 QNTVLPZEHBIPNM-QZTJIDSGSA-N 409.490 1.574 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@@H](C(=O)c4cccnc4)C3)C2=O)ccn1 1854145734 QYWSLOVJSSAGEO-MJGOQNOKSA-N 403.442 1.684 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc32)C(=O)C12CCCCC2 1854415906 QZJDPSYNZKMECJ-QGZVFWFLSA-N 401.488 1.553 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1855036648 NPUDNFBDSPCXHL-AVRDEDQJSA-N 414.481 1.511 30 10 HDEE COc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1855188631 XTYBQNUCYDGZCI-KRWDZBQOSA-N 402.428 1.657 30 10 HDEE CON(C)C(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1855845546 VULHNHKOOLGNJQ-QGZVFWFLSA-N 412.490 1.669 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1855861902 IWEQLFRLVYVHEL-AWEZNQCLSA-N 402.886 1.177 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1=O 1856035033 GFAWMUXRXWULTI-MRXNPFEDSA-N 421.519 1.095 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CCN([C@H](C)CCC#N)CC3=O)ccc2=O)cc1 1856386968 AKANLIFHYVXJLR-QGZVFWFLSA-N 407.474 1.577 30 10 HDEE COc1cccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1856791740 HVMBOPNTUPVFTI-KRWDZBQOSA-N 402.428 1.657 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(F)cc3F)C2)CC1 1857026324 JTWNXTFYKULUQN-CYBMUJFWSA-N 411.430 1.519 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C[C@H](CN4CCC(CC#N)CC4)CC3=O)C2)no1 1857206541 FRQVDUGYQDFYLF-INIZCTEOSA-N 413.478 1.056 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c1 1857231742 GLNVHMKVJIWAQN-AEFFLSMTSA-N 412.490 1.721 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4nc(C)sc4C3)CCC2=O)CC1=O 1857436183 USKKQGBOHYDGKM-CVEARBPZSA-N 416.547 1.609 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C1=O 1857483619 VBSKMIJTTSJSAD-PBHICJAKSA-N 416.547 1.794 30 10 HDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1C 1870141688 FYNPVXSZCRNQOV-UHFFFAOYSA-N 400.398 1.991 30 10 HDEE N#CCc1cccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 1882492212 HWBRYEAXVYQCSS-QGZVFWFLSA-N 417.443 1.442 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccc(O[C@H]3CCOC3)nc2)CC1 1891369304 BDOHOSUTZJDSGU-KRWDZBQOSA-N 409.446 1.842 30 10 HDEE C=CCC[C@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2046018790 KPUCNXGGIWNBFH-KBXCAEBGSA-N 412.439 1.350 30 10 HDEE C=C1CC(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2062874590 SYCTZXJQUJCCAK-UHFFFAOYSA-N 406.460 1.403 30 10 HDEE O=C(OCc1ccccc1)N1CCc2nn([C@@H]3CCS(=O)(=O)C3)c(C=NO)c2C1 2069970512 QIWAAXMRVBIEFH-OAHLLOKOSA-N 418.475 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2174782107 MSMRRRAIBZEQLG-AREMUKBSSA-N 414.509 1.607 30 10 HDEE CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174783409 BWQDTXWCMKNGNU-YOEHRIQHSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)[C@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180116852 FPBRLYHNOBWOSV-GJZGRUSLSA-N 418.581 1.670 30 10 HDEE C#CCN(C(=O)[C@@H](CSCCC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180120772 ZDDHCIADBLEYFQ-LSDHHAIUSA-N 418.581 1.672 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@](C)(CNS(=O)(=O)CC2(C#N)CCC2)C1 2199842843 MQIPUICZWUKBSV-QGZVFWFLSA-N 401.529 1.873 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2241672853 WKFKCJOTRCJQHX-ZIAGYGMSSA-N 401.504 1.800 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2243493229 RGEGISBIMRMRRB-UHFFFAOYSA-N 404.276 1.125 30 10 HDEE Cn1nc(C(=O)NCCCONC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823067 KZAZDUOLGLYSSX-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2247846012 YOTLOLLEXSXYFZ-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE Cn1cc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247918212 NPXMLJGLYQMKIQ-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C(N)[C@H]4C3)cc2Cl)OC1(C)C 2267415538 CHBBKROXTDXSKU-IUCAKERBSA-N 404.750 1.278 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[S@@](=O)CC2)OC1(C)C 2267464470 IFMTVUBQTBNCPN-XMMPIXPASA-N 405.372 1.190 30 10 HDEE C[C@H](ONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269028076 GUFHAYJOZLFKLO-ZETCQYMHSA-N 411.694 1.384 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](OCCO)C3)sc2Cl)OC1(C)C 2281974872 YYBSBGVOAOQBCT-NSHDSACASA-N 401.721 1.924 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@]2(C)CN)sc1B1OC(C)(C)C(C)(C)O1 2282300374 FDBSQLWOJUTAHH-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282305992 HBVCWJSUTAJAJC-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](CCO)C1 2282317810 AJLWYCWHYYGCEJ-BETUJISGSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNC(C)(C)C1 2282325410 DUYMYYJITMTLKR-GFCCVEGCSA-N 400.375 1.775 30 10 HDEE C[C@H]1CCSCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282332162 XBRTXOMYRUAWMI-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282353639 WPAVUVGOXZYEHL-CQSZACIVSA-N 400.375 1.762 30 10 HDEE C[C@H]1CNC[C@H]1CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282413175 AAERLBSKIQAWOT-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@H]2C(F)(F)F)OC1(C)C 2282414854 YNIKVJYHZNOXCW-BDAKNGLRSA-N 412.264 1.813 30 10 HDEE COC[C@H]1C[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501669 ACDOIJZNUXTTAI-UONOGXRCSA-N 401.359 1.749 30 10 HDEE CC[C@H](C)[C@@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506540 UDBRIBAKRINVKX-GXTWGEPZSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@@H](N)C2)OC1(C)C 2282506900 YZVBFLIJSKVZMX-ZIAGYGMSSA-N 400.375 1.737 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(O)C2CCOCC2)OC1(C)C 2282511017 IFYWIMIOHMVZES-UHFFFAOYSA-N 403.331 1.747 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282851496 CUPMOYHQMSEXOL-KRWDZBQOSA-N 401.359 1.900 30 10 HDEE CN(C)c1nnc(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)s1 2282871517 IMEGKAGDBPNGLH-UHFFFAOYSA-N 416.359 1.766 30 10 HDEE CN1CC(CN(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282880656 LVTHHUNRMAHJCC-UHFFFAOYSA-N 400.375 1.371 30 10 HDEE CC(C)(C)[C@@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882731 PWVIOTCJGPLLRC-CYBMUJFWSA-N 403.375 1.874 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284394594 AEMKBPFKARWXHK-SNVBAGLBSA-N 419.717 1.456 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@]2(C(=O)O)CC2(C)C)OC1(C)C 2284403129 NVGMLWILPNUKBU-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@@]2(O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2319413206 HXXMQAKZSATIEL-HXUWFJFHSA-N 405.472 1.300 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2)CC1=O 2329013025 DSLMARHUZHAFQC-CYBMUJFWSA-N 404.471 1.601 30 10 HDEE Cc1cc(S(=O)(=O)N2CCOC[C@H](F)C2)sc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c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2381310138 PLRVIMGRFSKXKU-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NCCC23CC(I)(C2)C3)C1 2381621068 STAPNZRBNWQWAW-HIFPTAJRSA-N 409.293 1.804 30 10 HDEE Cc1ccc(C(=O)NCc2ccccn2)cc1/N=C1/N[C@@H]2CS(=O)(=O)C[C@@H]2S1 4193526 NZVMROQWFHNFIG-SJORKVTESA-N 416.528 1.810 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(OC)cc1 16893829 FLCLIUFDNGUJNH-OAHLLOKOSA-N 419.463 1.071 30 10 HDEE CCc1nnc(CNC(=O)CSc2nc(N/N=C/c3ccc(OC)cc3)n[nH]2)o1 59878587 MCEUJLDQZUXUPM-UFWORHAWSA-N 416.467 1.613 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 65949928 WPHGFMIHBHSBBD-QGZVFWFLSA-N 422.489 1.253 30 10 HDEE COCCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2Br)c1=O 254817037 VZUADALOVOIQIR-UHFFFAOYSA-N 404.289 1.735 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1=O 410116222 OKIFRNCHEOORNE-CYBMUJFWSA-N 405.256 1.284 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCN1CCO 427422376 VKDDJLUHYIUIDX-HNNXBMFYSA-N 409.446 1.209 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 434389237 HFWMPGGLBCGVAV-HIFRSBDPSA-N 419.425 1.572 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 448372196 BJHPVZOFWNNVSR-UHFFFAOYSA-N 422.551 1.948 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 480717544 UBIGWRLUBFPSRC-NQIIRXRSSA-N 417.506 2.000 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1C#N 489799625 UWWICTQKEPBOKZ-UHFFFAOYSA-N 400.526 1.133 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N 489852320 ZXRCKMOHZPHOOR-INIZCTEOSA-N 400.460 1.220 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1 505273097 JPTBUJZJTFRDRH-UHFFFAOYSA-N 418.881 1.903 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1cccs1 505646763 JJVRJBQKWOBXDF-UHFFFAOYSA-N 407.517 1.900 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 508473249 NSUOWCXBEMSUSL-QGZVFWFLSA-N 419.507 1.063 30 10 HDEE CNC(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 525152190 KWZKTJNUPNKEPV-UHFFFAOYSA-N 412.471 1.065 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)ccc1Cl 536702884 OIRQBITUFWWSBT-OAHLLOKOSA-N 404.835 1.763 30 10 HDEE CN(C)CCOc1ccc(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)cc1 538080105 BRLGTMFMFWZZDU-UHFFFAOYSA-N 412.494 1.705 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](CO)CC3CCCC3)n2)c(Cl)c1 549322959 YXQYRXOXPSVHCS-OAHLLOKOSA-N 415.881 2.393 30 10 HDEE Cc1nnc(N(C)S(=O)(=O)c2cccc(S(=O)(=O)NC[C@H](C)C#N)c2)s1 552423335 DQDPZRHWSNUWEW-SNVBAGLBSA-N 415.522 1.110 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)N(C)C)cn1C 574940087 TVWBWYWSVYQOHV-UHFFFAOYSA-N 404.492 1.436 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@@H]2CCOC2)CCO1 575106973 KQFOMPVHBFHQFG-HKUYNNGSSA-N 408.506 1.996 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)NCC(=O)NCC#N)[C@H]1c1ccc(Cl)c(F)c1 578461185 SUIVBZGRUGVPGK-WMLDXEAASA-N 409.849 1.468 30 10 HDEE COc1cc(F)c(F)cc1NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 589399192 DXGVZTIFXJFQGD-UHFFFAOYSA-N 415.400 1.964 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 610987331 CIEFFQVGPQYTGI-RYUDHWBXSA-N 419.411 1.932 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nncn2C2CC2)C1 731879224 GTOAEUCMESPNDI-CYBMUJFWSA-N 414.491 1.058 30 10 HDEE N#C[C@H]1CN(C(=O)CCc2ccc(S(=O)(=O)NC3CC3)cc2)CCN1C1CC1 732664796 OMWMXOHYKAKSIO-SFHVURJKSA-N 402.520 1.259 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCN1C1CC1 732703711 JHBVNRMBLURIJN-PZJWPPBQSA-N 424.549 1.266 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 746214426 BXWHRVQMHOFESY-HMWBCQRISA-N 418.450 1.582 30 10 HDEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1C#N 746879014 ZUFQUUYUBREYMS-UHFFFAOYSA-N 415.471 1.754 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCOC3)c2=O)cn1 749862386 QMIIMBZSEKWFIX-OAHLLOKOSA-N 414.531 1.281 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)no2)c1 756884350 VNOBDDBBOKCFSH-CZUORRHYSA-N 400.439 1.717 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCO[C@@H]2CCOC2)C1=O 757369138 CGRFKTJQXNHFEQ-NVXWUHKLSA-N 416.503 1.821 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760416414 ZBUNFLSASAYCQA-UHFFFAOYSA-N 415.567 1.715 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 768613563 FAZCAEFOLSKGRA-CYBMUJFWSA-N 405.417 1.916 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCc2ccnc(C#N)c2)C1=O 771620984 JVPNDADHSCNXFW-NRFANRHFSA-N 408.414 1.781 30 10 HDEE COc1cccc2c1nc(NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)n2C 771646448 GJZGTGCILPLQDH-UHFFFAOYSA-N 413.459 1.649 30 10 HDEE C#CCN(C(=O)Nc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 774014908 HENZQNZGRMYSLE-CYBMUJFWSA-N 418.256 1.945 30 10 HDEE C#CCN(C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 774035719 KATZVGWRVLSMSN-APWZRJJASA-N 405.520 1.734 30 10 HDEE C#CCN(C(=O)NCCOc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 774194448 FQYKMKRKVWFDRF-AWEZNQCLSA-N 415.309 1.660 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cnn(CC(F)F)c3)cc2C1=O 778917017 JEKKQWSSMXYXRJ-UHFFFAOYSA-N 424.385 1.049 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCNC(=O)c2cccc(Br)c2)cc1 780918970 DDMNZRCJSVDCRI-INIZCTEOSA-N 402.248 1.900 30 10 HDEE O=C(C[C@H]1SC(=Nc2ccccc2)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 786689595 UAIBBTPHEDBTIF-MRXNPFEDSA-N 421.544 1.722 30 10 HDEE C[C@@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787676409 BRGLDZYETBZRIF-OLZOCXBDSA-N 411.505 1.395 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2c(F)cccc2F)n1 789003456 QAESLJHFNGUGHC-UHFFFAOYSA-N 419.432 1.383 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 789916973 UXDMYDKROCKWCN-FQEVSTJZSA-N 411.439 1.612 30 10 HDEE C=CC[C@]1(C(=O)NCC(C)(C)NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790620559 RSIMWCRMJRDVGT-GOSISDBHSA-N 403.545 1.776 30 10 HDEE CCN(CC)[C@H](C)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 792555215 MHSYTUWZSDWNQC-WBVHZDCISA-N 408.568 1.986 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(C(=O)OC)c2ccc(F)cc2)c1 794713815 YJZGQOTYPVXUJP-FQEVSTJZSA-N 418.446 1.555 30 10 HDEE CCCn1cc(C=Nn2c(-c3cnnn3C)csc2=NC[C@H]2CCCO2)cn1 794839540 SRLXRPQXDBULCY-OAHLLOKOSA-N 400.512 1.914 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796416754 MTKYLLLXVNLGSM-VQIMIIECSA-N 402.495 1.852 30 10 HDEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 796488952 GOZPERINXFRABB-HOCLYGCPSA-N 402.499 1.659 30 10 HDEE C[C@@H]1OCC[C@H]1N(CCO)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 797615699 GPNYIHBXWAOFLH-OYSJTAOWSA-N 424.523 1.503 30 10 HDEE N#CC1(NC(=O)c2cc(S(N)(=O)=O)ccc2F)CCN(Cc2ccccc2)CC1 798337502 QCMDOKYSTUARIT-UHFFFAOYSA-N 416.478 1.761 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3cccc(C#N)n3)CC2)nc(C(C)C)n1 811251207 DQGHZYVQGAXARJ-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)c3cccc(OC)c3)n2N)cn1 1083977321 UPDKLGWERKCSQW-UHFFFAOYSA-N 412.479 1.804 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)cn2)C1 1133630410 LEHFSNOALJMVOY-AWEZNQCLSA-N 408.480 1.107 30 10 HDEE CCn1c(S)nnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1136658211 RISWJQDMQPTNGP-LLVKDONJSA-N 404.883 1.781 30 10 HDEE COC(=O)Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1F 1142471091 CFOQTXXZGICPNU-UHFFFAOYSA-N 404.419 1.966 30 10 HDEE Cc1ccc(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1151219819 XLTSMULBWNVKAQ-SZPZYZBQSA-N 412.295 1.419 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1152143635 GSRDWGZVWJSABI-KRWDZBQOSA-N 424.542 1.259 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)c3ccccc23)CC1 1152967688 NMWBPDNKTNPMKF-UHFFFAOYSA-N 421.906 1.484 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2cccc(CC#N)n2)C1 1153246330 WXYOPFCACFOELM-AWEZNQCLSA-N 408.480 1.510 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(C3CS(=O)(=O)C3)C2)C1 1158898720 WBEKNOUGPZNGGL-UHFFFAOYSA-N 424.320 1.260 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)CC1 1175515001 NFUXGDLVMPJLQN-LBPRGKRZSA-N 420.318 1.373 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1182637373 PBVZXPDIFRWTLL-GOSISDBHSA-N 402.495 1.314 30 10 HDEE C=CCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1182637374 PBVZXPDIFRWTLL-SFHVURJKSA-N 402.495 1.314 30 10 HDEE CS(=O)(=O)Cc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1184272295 FGQYYEWTJLCMGX-UHFFFAOYSA-N 416.455 1.749 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1195534452 DEKVJEONQXAROV-NHAYFPRASA-N 415.513 1.474 30 10 HDEE C=CCn1cc(CNC(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)nn1 1252076379 FAHTXDLFRLUGIR-UHFFFAOYSA-N 407.496 1.478 30 10 HDEE C#C[C@@H](NC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CCOCC1 1253349239 ZVDHYBFEBIVVAQ-WISAJEAXSA-N 414.487 1.846 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1254488138 GYZUAAMXYLQCEB-RCCFBDPRSA-N 400.479 1.552 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1 1256047130 AMLBYHYNILIEAB-GOEBONIOSA-N 408.549 1.858 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N(C)C 1286272826 DPPZRRGBLNHVFM-CQSZACIVSA-N 415.494 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CN(C)C 1286283601 SWVVOSPIPCLIJU-MRXNPFEDSA-N 407.526 1.967 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1286306187 RUPXEXKWGFKVJY-OAHLLOKOSA-N 423.477 1.477 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286358212 SZKIKSSSUXZFCS-UHFFFAOYSA-N 404.492 1.514 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CCN1CCN(C(C)=O)CC1 1286368054 PIYPAVGHWUJIIE-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286393950 MMTZPOXJBDUPIT-KRWDZBQOSA-N 404.540 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCc2nccn2C1 1286400668 JDBHGYGKZFXEKA-GCJKJVERSA-N 408.506 1.462 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1286454429 WYHGQTDQSDJRLS-STQMWFEESA-N 403.599 1.196 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286467931 XMWBDFXGYMBPIX-HOTGVXAUSA-N 415.460 1.752 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C)n(C)c2=O)CC1 1286481874 JWUHMCQCLSXJLJ-UHFFFAOYSA-N 417.517 1.075 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286494434 SZJSCBADNPAIAE-OPAMFIHVSA-N 417.554 1.372 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CC1 1286514936 SDUUDHCBYZNCSP-GOSISDBHSA-N 405.524 1.083 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](CC)C1 1286784087 WCEKSJYSOPARKA-HNNXBMFYSA-N 407.482 1.459 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286969344 FTSLZJNBEDKFNL-OXQOHEQNSA-N 417.535 1.209 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2COCCO2)CCOC1 1288303782 ZJNZTSUMYYDZEV-DYESRHJHSA-N 419.526 1.864 30 10 HDEE CN(OC1CCCC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1298789558 BXZGXBKRRGZOQE-UHFFFAOYSA-N 404.496 1.676 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)s1 1299565417 TYHAZEAAGUNJSZ-KRWDZBQOSA-N 409.471 1.786 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1300308903 DZPUJIFSPXRLSL-HUUCEWRRSA-N 407.515 1.815 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1300422580 SYBIXNJESGIDPC-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1cc(F)ccc1N1CCOCC1 1300459773 IKTVZTYBBVAPKR-UHFFFAOYSA-N 407.453 1.829 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301041501 LWYNLQUCHDEJRV-IAGOWNOFSA-N 422.961 1.667 30 10 HDEE C=CCN(c1nnc(Cn2ccc3ccccc32)n1CCNS(C)(=O)=O)C1CC1 1301330360 XJWQZSIJNKDUPL-UHFFFAOYSA-N 414.535 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301491971 TUTWMQRLIGORJT-NRFANRHFSA-N 410.478 1.587 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1301520368 FKZOAXSGVQFTKM-UTKZUKDTSA-N 415.469 1.669 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)CC)C1 1301566772 BYIAGIAKCGTTBU-JZXOWHBKSA-N 407.515 1.262 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CC(Nc2cccc(C#N)c2)C1 1301634077 ORWCOHFCKKRHOU-UHFFFAOYSA-N 401.430 1.685 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1301958902 AYPQMGIAIXKYHR-ZDUSSCGKSA-N 420.495 1.209 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OC 1302428497 KDALZTMXBMBNNV-HNNXBMFYSA-N 417.491 1.784 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1304846897 FXTZWMJHDNEWDR-JTSKRJEESA-N 410.522 1.710 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2c(CNC(=O)OC(C)(C)C)cnn2C)n1 1308731679 LUMSIDIENSVWKL-UHFFFAOYSA-N 416.526 1.923 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)n1 1309464829 OMVARCBCXMMSEW-UHFFFAOYSA-N 416.459 1.012 30 10 HDEE CN(Cc1cnccn1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1314762831 HAGOOQHLIUTRAP-UHFFFAOYSA-N 415.417 1.865 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1348036695 PYTRCOPGHGYPAY-KHYOSLBOSA-N 423.535 1.894 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)ncc1C#N 1349939559 VYHOLOUZBOLHGV-UHFFFAOYSA-N 405.524 1.529 30 10 HDEE C=CCn1cc(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)nn1 1354083294 KKCNGEPQQMQBBP-UHFFFAOYSA-N 413.459 1.985 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(COCCOC)cc1 1358886660 INNDTTYBRGCPPF-QFBILLFUSA-N 411.506 1.898 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1358925347 BKCSDWCGCOAXQK-QGZVFWFLSA-N 417.535 1.784 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358963475 IVPMRBSEJLTRLS-QGZVFWFLSA-N 404.540 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C1CC1 1359019619 AGIMVRHDBXBSGG-UHFFFAOYSA-N 403.508 1.616 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCOCC1 1359024308 KIQNIHVOPHSIIQ-RTBURBONSA-N 405.543 1.574 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@@H]1C 1359062473 JDHXBWPGHUWKDE-LAUBAEHRSA-N 400.527 1.227 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359101662 QRKDMIRSVYAGTE-MMOPVJDHSA-N 410.522 1.912 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359130659 SATLENYFMHEDLP-UHFFFAOYSA-N 413.482 1.387 30 10 HDEE C=CCCCCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359201901 CRZSIJBALDQKTP-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359212986 FFSVGLFFDIAHLL-UHFFFAOYSA-N 421.571 1.943 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359602987 BLYDQRXASFIXQD-INIZCTEOSA-N 403.508 1.601 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1359745122 ANNSKKBIRQFVSQ-MRXNPFEDSA-N 407.482 1.783 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@]12COCC[C@H]1CN(C(=O)OC(C)(C)C)C2)C(=O)OC 1448499419 WNSNPMSOSAHXDD-BXTJHSDWSA-N 412.483 1.120 30 10 HDEE Cn1cc(I)c(C(=O)Nc2nc3n(c2C#N)CCS3)n1 1456167274 XROZRWWVEQCTHF-UHFFFAOYSA-N 400.205 1.451 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3CSC3)nnc12 1457802504 DMHFKHJJRADXCO-UHFFFAOYSA-N 401.517 1.802 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC(C(=O)NCCCN3CCCCC3)CC2)CCOCC1 1459803024 NZWBZDVEMVSKQY-OAQYLSRUSA-N 420.598 1.762 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCc2sc(S(N)(=O)=O)cc2C1 1460470873 LAPDVLQTNQCOEK-UHFFFAOYSA-N 410.908 1.917 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(NC2CCOCC2)CC1 1460778955 YODZCWOIYXEDIA-UHFFFAOYSA-N 408.506 1.915 30 10 HDEE C[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)n1cnc(C#N)n1 1462721758 LOHWTBULIDPZKN-HUUCEWRRSA-N 418.498 1.633 30 10 HDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1465138475 DKMAFKBGDDTNQA-UHFFFAOYSA-N 410.496 1.547 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1467728339 GKDWFVCJWBDFHY-UHFFFAOYSA-N 409.552 1.412 30 10 HDEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1F 1468716761 BPLIZDWTIDGISS-SECBINFHSA-N 409.215 1.990 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 1469145631 IAIZMLCFMHVBCV-OAHLLOKOSA-N 404.854 1.934 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC2CC2)cc1 1470444451 JHULBHVLQWYADX-UHFFFAOYSA-N 420.535 1.063 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](c4n[nH]cc4C(=O)OCC)C3)cc2C1=O 1470595269 XSRNMTQWNXVKKZ-AWEZNQCLSA-N 422.441 1.998 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1471901491 ZXKJIUKHOPXSIG-KRWDZBQOSA-N 405.451 1.269 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@]23CCCC[C@@]2(CN(C)C3)C1 1472416664 DPYNAQWGASNRSC-ZLGUVYLKSA-N 416.547 1.559 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CCO2)c1 1479218829 WMHKZJKIMBGUGI-ZCTYVAAUSA-N 403.504 1.997 30 10 HDEE O=C(NC[C@@]1(O)CCN(CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1484230885 MQOORKXOCXCSTF-HVSHRVNHSA-N 400.906 1.668 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(C(N)=O)c1 1507515423 UPNZTSOBLGKBSW-HNNXBMFYSA-N 410.522 1.996 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507539105 RAJPJVVYBGXRAQ-ZBFHGGJFSA-N 423.539 1.117 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1507546371 GBBLGJVXVLSEBC-MELADBBJSA-N 415.502 1.079 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629176 ZXKIPVHHEFAGDG-JZXOWHBKSA-N 423.583 1.101 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(O)(CCC)CCC 1507654128 WFWUWTCDBHMGSC-KRWDZBQOSA-N 406.552 1.584 30 10 HDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1507754162 SWEPFKQJGIXTEN-SFHVURJKSA-N 413.547 1.495 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCNC(=O)C(C)C 1507800762 PBLKBVUFTGPOSU-SJLPKXTDSA-N 413.526 1.925 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507824547 CNLXCGABYZVXKF-FQEVSTJZSA-N 415.519 1.784 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507843922 YMSOWKVLRZVBIL-CVEARBPZSA-N 415.498 1.897 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCO[C@H](C)C1 1508093724 VQIHTIJDVLRIGP-QAPCUYQASA-N 413.478 1.708 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)COCC3)cc1 1525818614 BJHGYJKCOSGEHM-LTGZKZEYSA-N 403.464 1.478 30 10 HDEE Cc1c(C(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)cnn1CCC#N 1525827838 DVXQOJBGRPNPKB-MHWRWJLKSA-N 410.459 1.967 30 10 HDEE CN1CCn2nc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cc2S1(=O)=O 1531516509 UTFYECCDRBAAEV-UHFFFAOYSA-N 415.475 1.072 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1531945260 DTORLFUECYPPEK-QVKFZJNVSA-N 417.462 1.395 30 10 HDEE C#C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCOCC1 1532933957 HDUJZRHLPWZKKJ-HNNXBMFYSA-N 404.264 1.704 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CC(=O)N(c4cnn(C)c4)C3)c2C#N)C1 1533853017 HXRFKZFPGLOIBZ-GFCCVEGCSA-N 412.475 1.249 30 10 HDEE COC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1538858874 OBNAKYMPSOANDF-MSOLQXFVSA-N 414.462 1.321 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCN(CC)CC1 1539272289 YFESEDTZVNJGSX-UHFFFAOYSA-N 405.550 1.364 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2C[C@H]2C)CC1 1539470057 XNRHUWVZMYMPRO-NRJQMVOHSA-N 415.538 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1539538514 JQHLWPNLRDAKDS-GPMSIDNRSA-N 421.567 1.697 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539823661 HNWJSXOFDNUHRE-IHRRRGAJSA-N 404.920 1.378 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H](C)CC(N)=O 1540863942 KFKZEDMIDHSELZ-SNVBAGLBSA-N 424.303 1.038 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1540875460 MYFMFRRTYFMWFS-UHFFFAOYSA-N 418.458 1.063 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1540889820 UQCGNMFVVGVOKY-MJGOQNOKSA-N 413.526 1.718 30 10 HDEE C[C@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)C1CC1 1541958470 GUWVIVRAMOAZAC-QRWLVFNGSA-N 401.442 1.886 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1541991743 JZHOWRYNBCGQTA-FRQCXROJSA-N 422.555 1.541 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1542686772 WGWYEJFPHXKNNQ-IPMKNSEASA-N 413.478 1.434 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCCNc2ncccc2C#N)C1 1544055286 IHWMHTIZYAJZCW-FQEVSTJZSA-N 403.483 1.633 30 10 HDEE O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1)c1cccc(C#CCO)c1 1546199441 SGNGEQRVNNDTDN-UHFFFAOYSA-N 404.470 1.736 30 10 HDEE CNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NCCOC)C1 1548368021 HUIBQIMLKJGCMB-OAHLLOKOSA-N 413.400 1.170 30 10 HDEE CCSCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1552618577 LSSKESKZRHODNT-CYBMUJFWSA-N 404.496 1.878 30 10 HDEE COCCOC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1555704353 ZXJHUNGWYLPVGY-QGZVFWFLSA-N 414.466 1.374 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(COC)CCC1 1555752927 HORWOUKDVSKYBI-KSZLIROESA-N 419.526 1.938 30 10 HDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)CC1 1555820380 CYYCYFIKKLJORD-SANMLTNESA-N 403.533 1.297 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1557362372 ISARJYIMHUWHET-OAHLLOKOSA-N 405.499 1.663 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(C(=O)NCCCO)CC1 1566369294 ZFUDOKUVWAULMX-UHFFFAOYSA-N 408.296 1.600 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccc(C2(C#N)CC2)cc1 1584124193 VWCBFWRYIWMGJG-UHFFFAOYSA-N 404.470 1.746 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3c(C)c(=O)n(C)c4ccccc34)CC2)c1C#N 1585100756 ILOLUJGOWWQQOL-UHFFFAOYSA-N 404.474 1.723 30 10 HDEE C#CCN(C(=O)[C@H](OCC)C1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585666984 CHMPBBUQZGHMRQ-WMDQAZIPSA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587593021 HKRVISQFHUOUKX-KBPBESRZSA-N 422.942 1.733 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)c1 1588018830 YSTFIJXCNLSXBB-PMACEKPBSA-N 404.532 1.591 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCc2ccccc21 1588171138 VHNPTJWTAWWFGI-DEOSSOPVSA-N 417.513 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCN(CC)CC1 1588228616 HUERMHMASFPICH-LEWJYISDSA-N 412.582 1.661 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1588412238 BJXJERDYMMROGU-UHFFFAOYSA-N 408.550 1.801 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1588751016 HVLVSFFTEAHYKQ-NQIIRXRSSA-N 403.527 1.110 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1588929546 CQTYKFJFOSZPFS-HKUYNNGSSA-N 414.554 1.090 30 10 HDEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594858335 YQJPZUDZZKESRI-LIRRHRJNSA-N 424.498 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595529996 PBXJVBCRMDDRPC-KRWDZBQOSA-N 406.494 1.127 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS2)C1 1595673960 LTECPUKIGAIBKJ-ZNMIVQPWSA-N 415.585 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1595806063 ZXNRRMWDFMYIBY-OAHLLOKOSA-N 412.556 1.857 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCCCC1 1597381321 RZEPIJDGPFVDQC-UHFFFAOYSA-N 411.911 1.560 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)o1 1612042779 IJLDZNZAXYRNRN-KRWDZBQOSA-N 400.483 1.422 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1614024097 UTUCFNHJZHKBAJ-JKSUJKDBSA-N 414.485 1.718 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1617969438 JVKKGQJKRDTOAD-IBGZPJMESA-N 407.478 1.992 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1619210348 BWTAHHXUGDGSGU-QFBILLFUSA-N 412.494 1.403 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC1 1619911072 GNFZYUAMIQXKJT-UHFFFAOYSA-N 413.526 1.515 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OCC 1622506340 JTMDOCDPIKCGQA-CQSZACIVSA-N 400.522 1.829 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n1CCOC2 1623340049 CNUJIGKJNAFMKI-CQSZACIVSA-N 415.475 1.324 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCCc2ccc(Br)cc2)CC1 1623499178 SMCWFDGTWVDRGE-UHFFFAOYSA-N 406.324 1.665 30 10 HDEE Cc1cc(NC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c(C#N)cc1N(C)C 1625391409 BVXMOHSBLQBLHP-IBGZPJMESA-N 414.554 1.851 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1632797031 OATQUMYLUJDMST-LJQANCHMSA-N 400.479 1.206 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 1634640976 RDXGQGDDDPJARF-UHFFFAOYSA-N 411.553 1.862 30 10 HDEE C#CCN(CC1CC1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1636500040 WHMIHPUHXOFHJJ-ZACQAIPSSA-N 410.536 1.528 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)C1 1636818224 AXDVCZYWFFVULK-HXUWFJFHSA-N 406.438 1.093 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1636958650 CMUICKFDIDKFJY-SFHVURJKSA-N 420.477 1.433 30 10 HDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1639829692 PKSKZLCGTWHOJC-MSUUIHNZSA-N 406.483 1.714 30 10 HDEE CCn1c(=O)c(=O)n(CC2CCC(C#N)CC2)c2cc(S(=O)(=O)N(C)C)ccc21 1640742212 HJVFOXAJPOMGRY-UHFFFAOYSA-N 418.519 1.763 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCO[C@@H]1CC1(F)F 1641000921 GFIGWHDMGVOYIA-DZGCQCFKSA-N 415.462 1.824 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)nc1 1641926709 CQLWSUSRTLNQTF-HXUWFJFHSA-N 408.458 1.947 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2S(C)(=O)=O)cc1 1642872240 HZSGTDKJBRAQDI-UHFFFAOYSA-N 408.501 1.484 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1643304117 DAXGGMJJDXXTOM-QMTHXVAHSA-N 415.397 1.378 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2ccc(OC)cc2)c1 1643524852 MYUFYWFGKPBMJJ-UHFFFAOYSA-N 402.472 1.241 30 10 HDEE Cc1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)n1 1644001392 AYZNFKNKMWVZAU-KRWDZBQOSA-N 419.407 1.980 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)c2cc3ccccc3n2CC#N)cn1 1645239672 NOOYVPGPGGKSEE-IBGZPJMESA-N 411.487 1.900 30 10 HDEE COC(=O)CC1(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCC1 1648291387 CXRTYAJKZFHKIQ-CQSZACIVSA-N 407.492 1.465 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1CC1CCOCC1 1648372600 PZICQEOAKLDCQT-YJBOKZPZSA-N 421.519 1.269 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2cccc(C#N)c2)cn1 1655596614 XVTYIOBSLBESPX-GOSISDBHSA-N 401.492 1.482 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(C(=O)OC)c2Br)CC1 1656624054 AGEZNJMRMHOLNQ-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE CCN(C(=O)COc1cc(C#N)ccc1Br)[C@@H]1CCS(=O)(=O)C1 1656797759 GIXSPNYTTXMVNY-GFCCVEGCSA-N 401.282 1.735 30 10 HDEE C[C@@H]([C@@H](C)NS(=O)(=O)c1cc(Br)c(C#N)cc1F)N1CCOCC1 1660119576 CLRKQEJIEUDIOG-MNOVXSKESA-N 420.304 1.847 30 10 HDEE C#CCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1664329814 DAJVTAMXBKMTEI-NEPJUHHUSA-N 412.430 1.193 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1664651208 AYMJPAFIWNUMTA-UHFFFAOYSA-N 415.309 1.994 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(OC)c(OC)cc2Br)C1 1665457274 MFJTYFPFDPOBMZ-LBPRGKRZSA-N 417.325 1.842 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1665489242 NKBGVXGQVKWIFI-MSOLQXFVSA-N 405.495 1.415 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1670015007 HQSQAOWFRDIUGZ-INIZCTEOSA-N 412.533 1.050 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2sc(C(=O)OC)cc2Br)C1 1671459410 QPIPXTHJDQWQOP-SNVBAGLBSA-N 421.338 1.673 30 10 HDEE Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N(C)C 1672525670 MTQWQVXXLCAISL-KSSFIOAISA-N 410.478 1.387 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC(N3CCCNC3=O)CC2)c(C#N)cn1CC 1672913250 CTIVWTHRHYGBPH-UHFFFAOYSA-N 416.482 1.968 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1686083886 FFAQWAWZLJBCBC-WWNBULGVSA-N 413.522 1.851 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1csc(COC)n1 1690029720 ICRVQMAVOJYWJD-YJBOKZPZSA-N 415.519 1.726 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCOC[C@H]1CCOC1 1690204964 XGSOYLDOYNRHLL-CBGDNZLLSA-N 401.511 1.665 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690297743 FHUPULVNZCKKMW-JXFKEZNVSA-N 404.515 1.451 30 10 HDEE CC(C)(O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1691352952 OJOOPRSAVMPSPZ-SFHVURJKSA-N 424.505 1.405 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705559942 CBDZQHBYINASJN-YLJYHZDGSA-N 422.551 1.357 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570224 LTKGKXKZFHKIKO-HOTGVXAUSA-N 421.592 1.832 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705630051 DMCNSKADSKFMAI-UHFFFAOYSA-N 419.526 1.610 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2([S@](C)=O)CCC2)CC1 1705635659 FYVJUIKIEAELMT-NDEPHWFRSA-N 401.536 1.903 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1705730003 FHMMGVBTQWWUSH-HOTGVXAUSA-N 414.576 1.011 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2c(F)ccc(F)c2C1 1705900657 LODDRNXWLNWKOS-UHFFFAOYSA-N 411.416 1.878 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705943786 KOEAZVRPCGAWIC-CABCVRRESA-N 419.555 1.189 30 10 HDEE COCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712121571 VWZHBVNAMHTLIF-UHFFFAOYSA-N 420.477 1.943 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1722324751 XOIVKBLXRBXWQN-UHFFFAOYSA-N 414.897 1.553 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1722329941 MSRHMXAWXKSADF-OAHLLOKOSA-N 421.505 1.424 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(C)c1 1722342785 YHRVGIVIOHWFRG-HOTGVXAUSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN(C(C)=O)C1 1722373710 LUXMHDJGAFVTOO-MJGOQNOKSA-N 401.511 1.333 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOC1=O 1722383788 JGUOTUCYXCPBPU-LJQANCHMSA-N 421.457 1.706 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1722417806 UJKJFOZCFKJWHR-IRXDYDNUSA-N 424.567 1.819 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2)CC1 1722428773 AKKFCWBIVSJMAH-KRWDZBQOSA-N 402.568 1.555 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](OC)C2CC2)CC1 1722431346 OAHODJSDMXPIBJ-SIKLNZKXSA-N 417.554 1.499 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722510738 UNEQTRJVEHABOI-UXLLHSPISA-N 414.514 1.354 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722519207 ORHOZYJIYYDXNF-OXJNMPFZSA-N 419.551 1.871 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722532489 NVAAEXIMFUSCRV-FUHWJXTLSA-N 413.526 1.624 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1722628993 FEQGFXMVDINQFY-SJORKVTESA-N 412.556 1.636 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cn(C2COC2)nn1 1722643328 JIJFJVNIVHESIN-UHFFFAOYSA-N 414.495 1.103 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722673822 FSILUEWQZCJBFL-JXFKEZNVSA-N 407.515 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2snnc2C)C1 1722709593 TUWRAOYPGMQBRW-AWEZNQCLSA-N 403.512 1.504 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(N)=O)nc2)C1 1722711477 DSHFMNKIPMIURV-INIZCTEOSA-N 407.478 1.607 30 10 HDEE CCN(CC)C[C@H]1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728408961 KHTSWAYIEQSYLK-VRTBNJGNSA-N 401.515 1.281 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCCNS(C)(=O)=O 1730256435 PQZSHDPTFYQIKH-CQSZACIVSA-N 406.512 1.631 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(C)=O 1730324806 CGHCTCKCDBGRLK-INIZCTEOSA-N 414.466 1.121 30 10 HDEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1730692996 PXUMMAPJZBQGHD-MRXNPFEDSA-N 403.531 1.328 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCSCCCO 1740538586 IJQHHLIHQNEBMD-HNNXBMFYSA-N 422.576 1.922 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740553135 UGCWAPJJBSWBDH-WGLILOHCSA-N 422.464 1.992 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1740624222 GMNATGVKKAZYIX-QGZVFWFLSA-N 408.568 1.920 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C2CCC2)CC1 1740696178 NTEVJJWYAYETKN-IBGZPJMESA-N 414.554 1.234 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccc(CO)c2)CC1 1740697744 FKYYXAQPHHTOAU-UHFFFAOYSA-N 402.502 1.560 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCS2)CC1 1740705142 BRXUDFMCUQPSLX-IRXDYDNUSA-N 403.552 1.643 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1740759944 FYHSOZZEJVKDSQ-VXNCWWDNSA-N 419.526 1.452 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2sccc2C1 1740963361 IOGPUMUODYYUMY-UHFFFAOYSA-N 400.508 1.327 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741394412 CWLZCIQMHDGVBF-ZJYNUGOYSA-N 424.509 1.687 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1743153714 QKXNYKLCQOSEMU-MYDZZUQKSA-N 422.493 1.744 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1743272365 VAEMKLGYFWCMFN-CICGVWCYSA-N 410.482 1.297 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1744695939 DBFPXUXKPCWXBJ-DLBZAZTESA-N 423.512 1.373 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOCC2CC2)CC1=O 1748063127 PILMXIPNMKEFMP-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1748664402 GGDFRCAAIPAVFE-MRXNPFEDSA-N 423.521 1.228 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)C(=O)C1 1748697421 HUWGVFPBTWBEBI-UHFFFAOYSA-N 400.527 1.811 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1748719387 ZSIJTADVUHMBGJ-UHFFFAOYSA-N 403.490 1.724 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1748784959 JPCUHVKOWKXULU-YQQAZPJKSA-N 416.526 1.973 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC1(O)CC1 1748843054 YXINNIAQBLKBAA-UHFFFAOYSA-N 416.485 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1748846883 LTQLGRIVVDRVLI-QZTJIDSGSA-N 424.526 1.819 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cc(C)nn1C 1748957141 WJINRPMJOTVSDM-UHFFFAOYSA-N 408.462 1.850 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCc2ccccc21 1748961023 VAFNMCSCSNHAHG-IBGZPJMESA-N 422.533 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC(=O)N2CCCCCC2)CC1 1749014029 BZQFSFYIOKEPRP-UHFFFAOYSA-N 414.554 1.599 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1749064929 OLCYJTQQTQGOQZ-LAUBAEHRSA-N 400.527 1.068 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749228510 AXSDGSWWFORRLL-SFHVURJKSA-N 416.526 1.993 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1749283766 BPCFYQUIZVZQDA-MSOLQXFVSA-N 411.890 1.714 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749671131 YSPNENYHVCAUNN-RKVPGOIHSA-N 413.478 1.706 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1749721228 DEHBUJCZZUZAEQ-LJQANCHMSA-N 411.572 1.303 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749767556 YMHBFNIQGHDWAQ-JZXOWHBKSA-N 421.567 1.732 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)OC(C)(C)C 1760207964 DLGOZHUYGZAIBU-IRXDYDNUSA-N 417.510 1.600 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1760251881 KPRXNYZJENNAQI-QZTJIDSGSA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)CC1 1760284360 LAFXEXFZCOIVAS-UHFFFAOYSA-N 417.583 1.275 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1760352776 XYQXVVZPGKJTFV-CABCVRRESA-N 417.601 1.813 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1762922967 HVVQWLVRCYINCP-GPMSIDNRSA-N 424.546 1.354 30 10 HDEE CCOCc1nnc(N2CC[C@@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767829856 VSYOPXMAAPXXOY-AMGRQBIBSA-N 400.483 1.577 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1772564669 QVVIWHNRNSJAPJ-CQSZACIVSA-N 400.570 1.715 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1772567106 MTAFAVJUTGKHIR-INIZCTEOSA-N 404.515 1.127 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(C)C)[C@H]1CCN(C)C1=O 1848802619 ULVDLPCIVMAMJO-PKOBYXMFSA-N 421.563 1.852 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@@H](C#N)C2)cc1 1851054352 ABEKQTGHPCKOSH-WMZOPIPTSA-N 405.520 1.888 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)CC2)n1 1852388486 DQDZLEHQQKAKKC-OAHLLOKOSA-N 414.853 1.527 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)n1 1853388514 JYIYVXYYFFYKQH-SFHVURJKSA-N 416.485 1.539 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2cccc(C)c2)CC1 1853500435 UCDLOHMKJGSUDQ-UHFFFAOYSA-N 421.519 1.560 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3sc(-c4ncccn4)nc3C)C(=O)C2)C1 1853696218 TYAPSVARNLKQTK-HNNXBMFYSA-N 412.519 1.453 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN(C(C)C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1C#N 1854106620 ZKTSIZKTLLOTDG-QFBILLFUSA-N 417.531 1.753 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccccn4)C(=O)C3)C2)c(F)c1 1854196529 RQOJGVWBTVZTEZ-SFHVURJKSA-N 407.449 1.651 30 10 HDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854402087 XNIZTNGDRKVEGM-UHFFFAOYSA-N 419.503 1.465 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2=O)CC1 1854638727 SSLZSDQULWALLV-SJORKVTESA-N 407.511 1.792 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3nccc(Cl)c3F)C(=O)C2)C1 1854940698 HOZXYCJAQVOBDZ-KGLIPLIRSA-N 407.877 1.925 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)COc3ccc(F)cc3)C(=O)C2)C1 1855005357 AFFHRUASPMCXQQ-FUHWJXTLSA-N 402.470 1.642 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1855596697 OGSFSMJQYJFBGP-QGZVFWFLSA-N 423.579 1.608 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC(Cn4nccn4)CC3)CC2=O)cc1 1856162058 RZFPEHXNHXJDJX-FQEVSTJZSA-N 406.490 1.480 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccccc3Cl)C(=O)O2)CC1 1856603563 OCPGIAGSGCNRGG-HNNXBMFYSA-N 411.867 1.866 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)O2)CC1 1856672092 QSSJODAHVKVVME-QWRGUYRKSA-N 415.365 1.190 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(C[C@@H]3COCCO3)c3ccccc32)CC1=O 1856934940 XOLABQHMDKNKRX-DLBZAZTESA-N 413.474 1.206 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(c4cnco4)CC3)CC2=O)CC1=O 1856962131 AKXCARKHWKYXFA-DOTOQJQBSA-N 400.479 1.264 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)C[C@@H]4CCCO4)C3=O)CC2)n1 1856970160 QPNUKXGFTXMFLM-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccc(C)cc2)C1)[C@H]1CCN(C)C1=O 1857105226 UKZQXWZAEGJJCE-QUCCMNQESA-N 413.518 1.858 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1857242345 DVKGHZVIPUISQE-SFHVURJKSA-N 411.568 1.321 30 10 HDEE C=CCN=c1nc(Nc2ccc(Br)c(C)c2)[nH]c(N(CCO)CCO)n1 1871579055 IYZJOLLMWMYPPO-UHFFFAOYSA-N 423.315 1.497 30 10 HDEE Cc1nc(C2=C(N)N(CCc3nc4ccccc4[nH]3)CC2=O)sc1C(=O)N(C)C 1872724273 AJFNAGZVLNEBFS-UHFFFAOYSA-N 410.503 1.784 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OCC)c1 1874432545 LGJJTSTZBUBAOF-SSDVNMTOSA-N 418.523 1.813 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 1890190304 ZNSGQHNDMYSXJK-LJQANCHMSA-N 414.550 1.441 30 10 HDEE N#Cc1ccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 1890923620 FURRVTBPYMDQCE-UHFFFAOYSA-N 402.451 1.923 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CC(Oc4cccnc4C#N)C3)ccc2=O)cc1 1891247000 JYPNDUKQCHETAO-UHFFFAOYSA-N 401.426 1.770 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)c3)CC2)c([N+](=O)[O-])c1 1891950531 ILINZVMDGVUVQG-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE C#CCNC(=O)CNC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1962765966 YTJOAHQBNSMXBB-OAHLLOKOSA-N 405.454 1.779 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985102403 GMBZTCNMXNAJKS-UHFFFAOYSA-N 402.260 1.242 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985179295 OHBXNQIQWASCKG-ZWKOTPCHSA-N 416.522 1.887 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H](C)C1NC(=O)OC(C)(C)C 2174779879 NYMIHECUDVZKPW-KBPBESRZSA-N 400.545 1.948 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@@H](C(F)(F)F)C1 2186676179 NMBPDWYNORKSTB-VXGBXAGGSA-N 412.434 1.560 30 10 HDEE CO[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195307123 ODNHTUWWRQZDQX-STQMWFEESA-N 404.529 1.926 30 10 HDEE C=CCS(=O)(=O)Nc1cc(C)c(S(N)(=O)=O)cc1I 2231935952 XPXZFEZOTVCLOB-UHFFFAOYSA-N 416.262 1.175 30 10 HDEE Cn1cc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247818255 VQPMSWJGQYIASX-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE CCn1cc(C(=O)NCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247846034 YWKXVAWYSZFZDG-UHFFFAOYSA-N 422.335 1.847 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248403926 HISVKDIIGXOAFM-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2256058862 JSVXKGYGTDKOKE-UHFFFAOYSA-N 420.322 1.734 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2ccns2)OC1(C)C 2267710003 LTHIRBQFJLYJJZ-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282311433 IJHSDUYAWXRRBH-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE Cc1ncnc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282316931 JVTWUMFYMTYMFX-UHFFFAOYSA-N 416.721 1.995 30 10 HDEE CC[C@H]1NCC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282327609 KYNYONWCGFWAIZ-CHWSQXEVSA-N 400.375 1.775 30 10 HDEE CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340216 CPWAMOIWKOEAQE-CHWSQXEVSA-N 403.331 1.130 30 10 HDEE C[C@@H]1OCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282495465 MUSURPLPSVYMJB-STQMWFEESA-N 401.359 1.986 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCCSC(F)F)n1 2282506579 UNWXBCVJXCDOOF-UHFFFAOYSA-N 411.305 1.344 30 10 HDEE C[C@@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@@](C)=O 2282607236 VPHZKWXGASHHTE-KPHLJTLVSA-N 400.737 1.921 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCN(C)C1 2282829199 BDDQYDBNDJQOOP-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H](O)[C@H](F)C2)OC1(C)C 2282846464 KGAGXTPCJLENNA-OLZOCXBDSA-N 405.322 1.282 30 10 HDEE C[C@H]1CC[C@@](O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861347 MUEVISRYXKLHNM-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CCNCCN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282867463 ZKNUQABYIQYCRX-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE C[C@@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2295336913 CMOAUCZYEWPKAN-CQSZACIVSA-N 423.340 1.872 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)OCCNS(=O)(=O)N1CCC[C@@H](C#N)C1 2295846388 SLNKDMNVCSAPHY-AWEZNQCLSA-N 404.533 1.376 30 10 HDEE CN[C@@H](C#CC1(OC)CCC1)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2362710991 OLEPPQDAGDEGJE-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE Cn1nc(Br)c(Br)c1CNC(=O)[C@@H](N)CCCCC#N 2364417010 FOTZUHAOQDDEQI-QMMMGPOBSA-N 407.110 1.973 30 10 HDEE CC[C@H]1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365170033 GGZGYQKAFYSXSF-IFXJQAMLSA-N 401.525 1.923 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2365206304 YLAABKGOESGAPE-PMPSAXMXSA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OC)C1 2367794179 GKGXVAUGKFNZLY-CLCXKQKWSA-N 400.541 1.617 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2cc(OC)ccc2OC)n1 22628864 PKFFJHQOWJPLNO-UHFFFAOYSA-N 418.475 1.363 30 10 HDEE Cc1ccc(S(=O)(=O)NNc2ncnc(N(CCC#N)CCC#N)c2N)cc1 40737276 WHBIFQGDQRUTRM-UHFFFAOYSA-N 400.468 1.306 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cc(C)on3)o2)c1=O 101351007 FPWFMOISKBVAKF-UHFFFAOYSA-N 418.435 1.032 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)c1C#N 170571701 FCJRZDWOEDSNEP-UHFFFAOYSA-N 424.369 1.759 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccccc2)C1 203567392 PKEWNMSTNDYWJW-OWCLPIDISA-N 421.457 1.773 30 10 HDEE C=CCNC(=O)CCSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253561711 CKGLMKSDQRRVGU-RQZCQDPDSA-N 420.411 1.852 30 10 HDEE CCC1(CC)CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CCS1(=O)=O 429539884 LXNUIHLZBSHIRY-UHFFFAOYSA-N 402.480 1.960 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)c1 435941527 LUZZCLVKWIHWGG-SFHVURJKSA-N 401.488 1.758 30 10 HDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C1CCN(c2cnccn2)CC1 447666267 SWRBAMXHBLJLDV-UHFFFAOYSA-N 413.503 1.390 30 10 HDEE COC(=O)[C@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(F)cc1 463439118 ZKOOXIVHSYDLSP-WIYYLYMNSA-N 404.486 1.496 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 481750843 ZLTUYZSOWOZQJJ-QZTJIDSGSA-N 411.462 1.725 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(Cl)c(C#N)c2)CC1 485089690 STCGZEPNJGBKPR-UHFFFAOYSA-N 407.854 1.968 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 488270979 YZVZHERGUZSSAB-FQEVSTJZSA-N 423.517 1.703 30 10 HDEE CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)CC(=O)OC 494998959 NNVRJTPZYWJKRG-OAHLLOKOSA-N 402.495 1.851 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 501196599 JATFNRUBGUQGTL-RYQLBKOJSA-N 402.495 1.511 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 504702786 IZOBTLJTZWGDBU-KRWDZBQOSA-N 405.520 1.990 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCCN3CCN(c4ncccn4)CC3)CC2)c1 505098814 OBTGZTLBVRHMNE-UHFFFAOYSA-N 408.481 1.847 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 505657722 IDIKODXNYINYAW-HXUWFJFHSA-N 420.517 1.816 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cc(OC)n(C)n1 548189817 VOJKHJQLXAKQNY-UHFFFAOYSA-N 409.240 2.479 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCCCO2)CC1 549649730 BVWVQRVKOKWUIP-SFHVURJKSA-N 402.543 1.539 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(O)n1 555575842 GWNCZFWQUYAMEQ-UHFFFAOYSA-N 407.474 1.236 30 10 HDEE COc1cnccc1N1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 559050474 SEEYBQSWIUMXPH-UHFFFAOYSA-N 410.478 1.824 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](C(=O)O)c3ccccc3)CC2)cc1C#N 559204560 HVPHORMJEUSZLZ-GOSISDBHSA-N 400.460 1.394 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O)n1 567570428 YZSKFPBAMYXDJC-GOSISDBHSA-N 407.474 1.257 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2cc(OC)ncn2)CC1 571899467 WQQCEZGKPFXRIV-OAHLLOKOSA-N 401.471 1.067 30 10 HDEE COc1cc(CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)ccc1C#N 572805522 VPHCXTZWAGWCTN-CYBMUJFWSA-N 408.402 1.188 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1nc(S(C)(=O)=O)n2ccccc12 574720690 AFLOISDBXDAONU-UHFFFAOYSA-N 412.471 1.898 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(-n3nc(C)cc3C)cc2)CC1 604171515 QZNASFQPCZXYTG-UHFFFAOYSA-N 424.549 1.661 30 10 HDEE Cn1cc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)ccc1=O 604454470 BZWVWAMQPGTXRW-UHFFFAOYSA-N 409.425 1.918 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)CC1 605406705 GJUGIBFPVRZYTA-UHFFFAOYSA-N 401.511 1.667 30 10 HDEE COc1cnccc1N1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 619425283 UNFOEBJPGCHKBO-UHFFFAOYSA-N 421.505 1.857 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619481936 XLEJRFHNYWDBGE-MRXNPFEDSA-N 404.536 1.506 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 679494872 BRSDDIAOTJDCBO-UHFFFAOYSA-N 410.492 1.177 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669340 LLOVZNQXLIZBOL-UHFFFAOYSA-N 407.499 1.168 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)OCCCC)cc1)[C@H]1CCS(=O)(=O)C1 731213217 XBRHFTWTIXSCNC-SFHVURJKSA-N 406.504 1.704 30 10 HDEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732649633 MGCZYOKJBIISPX-AWEZNQCLSA-N 421.427 1.891 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734293228 PBQMTNIQRLNBMH-UHFFFAOYSA-N 423.472 1.167 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295013 MPZDQTBHLNODOT-UHFFFAOYSA-N 408.435 1.949 30 10 HDEE COc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1C#N 746730331 FQNAXKBSSOUFGO-UHFFFAOYSA-N 416.450 1.630 30 10 HDEE C#CCN(CC#C)C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 752151860 YZGDEULWWSEPHH-UHFFFAOYSA-N 404.488 1.392 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCOC[C@@H]1C[C@@H](O)c1ccccc1 756685769 HLLZXKJACFAYGM-LPRIJTINSA-N 414.462 1.047 30 10 HDEE C#CCn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccoc2)c1=O 758060349 YPTIHVAXCQJUBW-UHFFFAOYSA-N 421.400 1.192 30 10 HDEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 774034037 CYIMHOVQXHVXSI-SCTDSRPQSA-N 419.547 1.950 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 780206313 QGLFBNSFOPFWNC-NQYLQCIDSA-N 410.426 1.822 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784125819 TWEPAWCTFUZSKI-SFHVURJKSA-N 422.514 1.950 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(F)(F)F 790194439 GKRPHAJOKYGHRM-GFCCVEGCSA-N 417.409 1.853 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC#Cc2ccccc2)[C@H](C)O)cc1C 791243868 XMNFFQJKZZSKRN-FXAWDEMLSA-N 401.484 1.926 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)NCCNc3ncccc3C#N)CC(=O)N2C(C)(C)C)cn1 795032518 ROWWVABAWPRSSD-WMZOPIPTSA-N 409.494 1.603 30 10 HDEE Cc1cc(COCC(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)on1 802107324 PZGKVLSBLHNSEE-UHFFFAOYSA-N 414.237 1.639 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 803520302 LCNMZJUZFOZCBD-SFHVURJKSA-N 414.473 1.615 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)cc1C#N 804570650 HFMOOLQGDJWQSJ-ZDUSSCGKSA-N 406.442 1.579 30 10 HDEE C[C@@H](OCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1nccn1C 808274583 VPLGTKSHWHVZBH-CHOFAJOMSA-N 419.507 1.949 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Cl)cc1 810472013 ASTXXFVBOHGEEV-KRWDZBQOSA-N 424.844 1.821 30 10 HDEE C#CCOCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 810674761 JGLURIWMPURCHG-BUAHTRFOSA-N 404.466 1.232 30 10 HDEE COCCn1c(NN=C(C)c2cccc([N+](=O)[O-])c2)nc2c1c(O)nc(=O)n2C 1081159496 BHCWPCDXZCYNQE-UHFFFAOYSA-N 401.383 1.226 30 10 HDEE C=C(CN(C)C)C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1136575706 HJHBPSHPRQCXCU-UHFFFAOYSA-N 402.539 1.006 30 10 HDEE C=CCN1CCC(NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1136669606 ITFRVRBKJZCGEP-MUUNZHRXSA-N 413.584 1.901 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(C)C 1144204455 PRNZDEFVXUIUSR-ROUUACIJSA-N 422.570 1.879 30 10 HDEE O=C(Cc1csc(CCC(F)(F)F)n1)NCCN/C(O)=C1\N=CC=CC1=O 1144429156 MZTNCMSJJWIWJH-CCEZHUSRSA-N 402.398 1.823 30 10 HDEE N#Cc1cc(CNC(=O)Cn2nc(Br)c(Br)n2)ccn1 1156661880 NABJKSLDUSOTJY-UHFFFAOYSA-N 400.034 1.386 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCC(F)(F)C(F)F 1156948678 RTFASQMJHTZNCL-BZNPZCIMSA-N 404.282 1.989 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1 1167345630 KMXMRCATAYMAPK-MRXNPFEDSA-N 403.504 1.849 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(C#N)s2)CCOCC1 1192602575 YWYYPMDWKAFKHK-UHFFFAOYSA-N 401.510 1.972 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C(=O)N[C@H]4CCC[C@@H](O)C4)C3)C2=O)cc1 1197600386 DCHHWLVOBITOMU-JYRKZWEQSA-N 410.518 1.795 30 10 HDEE COCCOC1(CNC(=O)N2CCN(c3ccsc3C#N)CC2)CCOCC1 1228691452 RWHATIQYNMTYNR-UHFFFAOYSA-N 408.524 1.664 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)CC2)c1 1230534342 DTTLDNTVMGZZFK-RTBURBONSA-N 416.547 1.599 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)[nH]n1 1234023393 HHIKDSYYDWRPRO-INIZCTEOSA-N 422.445 1.372 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1 1248531596 RTAGTWVZIUSGRV-UHFFFAOYSA-N 413.499 1.913 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(Cl)cc1 1252449450 QKGLCRTWDCPKAW-OAHLLOKOSA-N 407.883 1.454 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253780148 WIUVQJGUFHBNMP-DLBZAZTESA-N 421.538 1.779 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](O)C1 1259114510 YPQQPDYXQSIAQS-QWHCGFSZSA-N 401.872 1.470 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1286283524 SGBQMHDMSJKMIJ-IAGOWNOFSA-N 421.509 1.099 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1286297451 WQEYUPMRYUWIMI-ULQDDVLXSA-N 420.558 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)NCCC)c1 1286398614 LWUFIYDRBPRIDG-UHFFFAOYSA-N 420.517 1.677 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286780214 RCELAYIBYWKKFT-MRXNPFEDSA-N 414.897 1.712 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1286789276 DEBSJIPQHGJPOD-QGZVFWFLSA-N 415.542 1.115 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1287137250 YFXGSXNEPDIUTR-IRXDYDNUSA-N 424.461 1.703 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)CC1 1288214588 CUFVNFGIHKKXNC-FGSPNWDHSA-N 401.551 1.402 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C/c2ccc(C(=O)OC(C)(C)C)o2)CC1 1292889590 HCXYXVWRUXNSGR-CSKARUKUSA-N 415.490 1.532 30 10 HDEE C=C[C@](C)(O)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1293461233 OEKLURHYSJLENU-IBGZPJMESA-N 412.508 1.158 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1293721442 ONAIPUVDMJCKCR-SNAWJCMRSA-N 424.505 1.990 30 10 HDEE N#CC1(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCSCC1 1295114526 JAEMLCUSCZRFKA-UHFFFAOYSA-N 418.338 1.633 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2ccc(F)cc2)cn1 1296136612 LPQVUQKAVBPCIO-UHFFFAOYSA-N 400.395 1.195 30 10 HDEE CON1CCC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1299508054 MANLLBHZSJQNNE-UHFFFAOYSA-N 408.524 1.428 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCS(C)(=O)=O 1300438078 FJTLLIJVEOVIHM-UHFFFAOYSA-N 414.329 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1COCCO1 1300569864 UVWGZXCTGQAESB-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC[C@H]2C)CC1 1300698073 MPQBYBGTIJXAHS-RTBURBONSA-N 413.570 1.249 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300731852 IFTBADOKEDQSOH-ZBFHGGJFSA-N 418.567 1.278 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1302469000 GSJAHJUNVWUQEH-QGZVFWFLSA-N 422.493 1.018 30 10 HDEE Cc1nc(=NC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n(-c2ccc(C#N)cc2)[nH]1 1306607475 PVGFUSUGGNFRMC-UHFFFAOYSA-N 410.459 1.802 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)c(Cl)s2)CC1 1308914272 MPZRDKUBGDQWHF-UHFFFAOYSA-N 412.762 1.749 30 10 HDEE CCn1cccc(Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CCOC)c1=O 1313850628 SVVSANGVFILBMB-GOSISDBHSA-N 414.510 1.768 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1)C1CC1 1314647760 DPAVDAFDZBCWGC-IBGZPJMESA-N 407.522 1.859 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1315630537 AFGKZTCDMHIVMN-QLVMHMETSA-N 413.478 1.146 30 10 HDEE CS(=O)(=O)c1ccc(OCCn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316335018 FFKXOPILZGJGIL-INIZCTEOSA-N 417.491 1.367 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC(=O)CCCCN1C(=O)c2ccccc2C1=O 1338988655 NYZXTQUMZIGGKG-UHFFFAOYSA-N 411.439 1.830 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@H](C1)C2O 1339282886 HFSYEGIPUHSPPZ-JNUZOFDASA-N 419.547 1.759 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1357506371 MWJIBBPIEYDIBW-UHFFFAOYSA-N 414.487 1.772 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCc1nnc2n1CCCCC2 1358937066 HCXKOIGJMAZPRR-UHFFFAOYSA-N 412.542 1.827 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1358956761 KKMLMCHGKLMNOI-RKVPGOIHSA-N 412.581 1.286 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ncn(C)n1 1358989570 HTGACSVIBNQSFY-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCn1cncn1 1358997858 HIGYQFGULKALJD-UHFFFAOYSA-N 405.462 1.620 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NC(C)C 1359026125 LNTULFZZQLQLQD-UHFFFAOYSA-N 408.506 1.892 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(OC)cc2)CC1 1359035342 RBPUISPNNKJYEZ-IBGZPJMESA-N 424.505 1.072 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CC1 1359035573 XYPGPHQKLQQNLE-LJQANCHMSA-N 413.570 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCCC2)CC1 1359045172 YXYOWXLKSYXQLA-GOSISDBHSA-N 415.538 1.791 30 10 HDEE C#CCSCCn1c(N2CC[C@@H](C)[C@@H](O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359062418 HQBCYLSGWKSTOO-UWVAXJGDSA-N 408.568 1.892 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1359122096 XRUJHIMXKIMZDR-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359172961 PCKSJLQIAWXLKJ-BTYIYWSLSA-N 412.494 1.868 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359297476 RQXMBBSMXGDMTC-FUHWJXTLSA-N 408.506 1.613 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1360487762 RFGAMKLAAKSTFN-NVXWUHKLSA-N 418.505 1.976 30 10 HDEE Cc1cc(F)ccc1N(CC#N)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1438214743 ADYCJHGSSMZPEM-CQSZACIVSA-N 406.439 1.156 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](CC#N)c1ccccc1)CCS2(=O)=O 1439953563 QMXNVNLBOPDRAP-MUZJZNNISA-N 404.488 1.699 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1440687827 XFSOBOPJXYBJJP-GOSISDBHSA-N 413.522 1.205 30 10 HDEE CCS(=O)(=O)C1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1449492738 DOEMVQWTZLUFSX-BIWSTMPVSA-N 411.524 1.419 30 10 HDEE CC(C)NC(=O)[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1451462919 LHWFGOJDDHMELF-AWEZNQCLSA-N 408.524 1.315 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCCC1=O 1452909226 FUHAWLUVGBNOQV-HNNXBMFYSA-N 406.508 1.023 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C1 1455706480 UMYQHJUZRUDQPF-MRXNPFEDSA-N 408.479 1.891 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1 1455776344 BUADGIHNMWZLDR-CYBMUJFWSA-N 421.500 1.117 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1458023584 DXFFOJHBJISNOW-INIZCTEOSA-N 419.489 1.791 30 10 HDEE Cn1ncc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1I 1460699221 SBQRBQISPLZDTP-UHFFFAOYSA-N 407.171 1.495 30 10 HDEE C#CCN(CCCS(=O)(=O)CCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1460778217 MTORGPOGQITTCS-UHFFFAOYSA-N 402.557 1.772 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)s1 1465093334 OYENMKVSQJVERR-NEPJUHHUSA-N 408.567 1.035 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1466018192 SIVLXXASJLSQER-UHFFFAOYSA-N 420.516 1.789 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)c1ccccn1 1468413102 HUICJKVAYQSJSZ-DLBZAZTESA-N 416.503 1.385 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)n1 1470481332 KVVGPXRTGQLIOW-FUHWJXTLSA-N 400.483 1.328 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(c3ccncc3)CC2)c1 1472362868 JIDBDKDDOOHLKT-UHFFFAOYSA-N 402.451 1.917 30 10 HDEE C[C@@H]1[C@H](CO)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1473541613 GATGVLCSVWDJSE-CVEARBPZSA-N 413.478 1.548 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1Cl 1475319749 BOSYFAWJTJEERW-GFCCVEGCSA-N 403.888 1.718 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1 1475974043 QKLUOAVSBBUZMZ-KDURUIRLSA-N 420.491 1.010 30 10 HDEE C#CCN(C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1)C1CCN(C)CC1 1477687287 QAOMEMXQOIMZQF-UHFFFAOYSA-N 412.943 1.357 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1478736327 MRSCVMPDDWJHSD-INIZCTEOSA-N 412.456 1.864 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1)[C@@H]1CCOC1 1503412219 IGUZNQJLKIRVMC-GOSISDBHSA-N 408.466 1.216 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1504887808 DUQMNDUAONMIES-YVSFHVDLSA-N 404.515 1.799 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1505117132 UKEAPLXAGMHHBY-ZWKOTPCHSA-N 424.505 1.869 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507593279 YJPKJYIRNCYOBO-QZTJIDSGSA-N 406.552 1.847 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CCCC)CC1 1507716017 LFCLVBXEBHDJGO-UHFFFAOYSA-N 401.559 1.001 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCC2(O)CCOCC2)n1 1507717179 QAFHFXMFCBQWFV-UHFFFAOYSA-N 402.499 1.001 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCOCC2)CC1 1507873428 KJBCOJXJJORMIE-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1508161680 HKOGTNAFBNHEBQ-UHFFFAOYSA-N 423.546 1.840 30 10 HDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1519369473 LNWUAVWWGUGSPL-UHFFFAOYSA-N 422.493 1.740 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@H](C)[C@@H]2C)C1=O 1531152370 VSRQRVYKVIDINO-BBWFWOEESA-N 412.490 1.473 30 10 HDEE Cn1c(C(F)(F)F)nc2cncc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c21 1532114927 YNAMMJMROIUXSU-UHFFFAOYSA-N 420.355 1.671 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3cn(C[C@@H]4CCOC4)nn3)c2C#N)C1 1533469482 AYADTNNDMQYJTA-LBPRGKRZSA-N 400.464 1.405 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(COc3ccccc3C#N)c2)C1 1534503975 YOMUIPMLTCRBLG-UHFFFAOYSA-N 414.487 1.358 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)cn1C 1534584489 BSVGLACZACTSET-ZWKOTPCHSA-N 413.503 1.237 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1535786696 WQOMVFDWUKSNNP-MBSDFSHPSA-N 418.453 1.617 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539221188 NYFLEVDDAGXHLS-IKGGRYGDSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc(CC)s1 1539237229 ALUOIGBFCISPPW-HXUWFJFHSA-N 414.535 1.854 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539428632 VEHOCHIGGBVLOR-RBUKOAKNSA-N 415.586 1.292 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1539517848 SSEUVGZZZUWKLX-KRWDZBQOSA-N 401.540 1.657 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](OCCOC)C1 1539626901 HAWADMGUJUVEHT-SCTDSRPQSA-N 414.510 1.958 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(C)(=O)=O 1539651718 JQARLXNPSZESIL-GOSISDBHSA-N 400.545 1.766 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540035719 HQHRSLQGMODJGJ-QGZVFWFLSA-N 416.526 1.905 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1540040207 OWPFWTCGFCVEAH-UWJYYQICSA-N 419.526 1.377 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540858069 GGIFXCLEEWVZFT-OAHLLOKOSA-N 422.555 1.093 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1540869398 LIWLPULRJNOKRD-UHFFFAOYSA-N 412.469 1.559 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1540870433 NDTGPHXUDQLEOC-HNNXBMFYSA-N 404.515 1.951 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540872262 IJPUQEBGEHQVNV-UHFFFAOYSA-N 419.489 1.301 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2C[C@H](F)C2)C1 1540883761 DWXBSCFDVZTYRE-KLHDSHLOSA-N 415.535 1.808 30 10 HDEE CC(C)OCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1541748966 ZLEUUIVTWCWHOQ-WMLDXEAASA-N 416.523 1.535 30 10 HDEE COCCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 1542369079 FZOASNYHNXIMFW-QGZVFWFLSA-N 421.519 1.719 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@]2(C#N)CC3CCC2CC3)cc1 1543061304 PXBNZQTZKPRDFH-LAGYLCCXSA-N 405.520 1.948 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cc1 1543099450 JMZSAQQBCRYFNF-UHFFFAOYSA-N 407.474 1.557 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1544554233 PNKYVMSDWOHBFS-YOEHRIQHSA-N 421.505 1.398 30 10 HDEE Cn1cc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c2cccnc21 1544736978 BQZOGFMTVRBAPR-UHFFFAOYSA-N 411.487 1.738 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 1545493674 HKPFOGPKZFFSQE-MRXNPFEDSA-N 417.510 1.506 30 10 HDEE CCN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547320161 ICFUTYOGMGLXHL-QGZVFWFLSA-N 413.551 1.585 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C 1547600008 CTSIQYHWXAAAFK-HNNXBMFYSA-N 404.540 1.638 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1555792154 GRXUBDBZYSYIOR-PBHICJAKSA-N 411.503 1.929 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCCn2cc(CO)nn2)cc1 1555991398 OIYLSVIDDKAZDO-UHFFFAOYSA-N 420.477 1.669 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1556737423 DPEJWEQPLNQPIN-LSDHHAIUSA-N 403.545 1.728 30 10 HDEE C#CC1(O)CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1557603624 PWRMUCSHUUULBS-UHFFFAOYSA-N 418.437 1.751 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN1CC(F)(F)F 1558261121 GJDSKNFRHXZDGA-LBPRGKRZSA-N 418.441 1.258 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c(F)c1 1558698095 PJHRHKZJSSPMAJ-INIZCTEOSA-N 410.453 1.804 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)cc1 1561506510 ULWHSXMBGRFRBA-UHFFFAOYSA-N 406.476 1.348 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1562442010 BMPKSSRWFZODKC-GBRVTDDUSA-N 423.466 1.171 30 10 HDEE COc1cc(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(F)cc1C#N 1563098778 DKLIJUSKSJFPJJ-LBPRGKRZSA-N 412.365 1.650 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1 1564067397 GRVMGVKVIMSQTF-UHFFFAOYSA-N 410.449 1.968 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@@H]3CCN3C3CCOCC3)C2=O)cc1 1564547324 LEACPMFIDLAYJZ-VQTJNVASSA-N 411.506 1.606 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1564547947 YYMZCHPITWJCRS-ONQFOCNCSA-N 416.503 1.461 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565629938 NBIKKYRIYHZCFY-WUKNDPDISA-N 419.235 1.342 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1568992328 DYRGSWIKZBVSQR-PBHICJAKSA-N 411.480 1.581 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)c1 1587439529 RLBPLBJFXWVUAI-QGZVFWFLSA-N 412.471 1.804 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1589663772 QRWWFVNMKPHIMQ-OAHLLOKOSA-N 411.572 1.887 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1593757606 JXKJKIHLIUUVPK-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(CC)Cc1cnn(C)c1 1595798555 QGXVOZMOOARKTI-QGZVFWFLSA-N 422.555 1.881 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1595866517 NWHXAAHVNRJNOG-UHFFFAOYSA-N 424.534 1.846 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)COc3cccc(C#N)c3)CC2)cc1 1596666362 BDFMVJUCECNWPA-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE CC(C)(C)N1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1597409352 CTVLECNSOBRENU-UHFFFAOYSA-N 411.510 1.834 30 10 HDEE COC[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1597546079 CXOSYHWAPJKGQJ-IRXDYDNUSA-N 417.462 1.697 30 10 HDEE CC1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCC2(CC1)OCCO2 1602837532 DBJCIZMZXMVXPK-UHFFFAOYSA-N 406.504 1.913 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1611287810 ZQOWQLNUFAOYAC-AWEZNQCLSA-N 418.523 1.459 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](O)[C@@H](F)C3)nnc12 1611695581 KYTQEKGTJRULAJ-DZGCQCFKSA-N 417.466 1.254 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H](C)N(C)C)cs1 1612410620 MWCGFEDTMPDDMF-KSSFIOAISA-N 414.583 1.761 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1615901925 MVOLMBNQLJTAAK-IFXJQAMLSA-N 410.494 1.606 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1=O 1618550435 DUQMPXACNOVOHC-IRXDYDNUSA-N 402.517 1.161 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCn1ccnn1 1620094772 FPHLKLUVQRZDRN-IRXDYDNUSA-N 400.487 1.424 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1627895197 FBAOJQHNXLKWBV-MSOLQXFVSA-N 402.495 1.871 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1627905586 KCFPYFFUZIUXNA-IAGOWNOFSA-N 422.526 1.813 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1nc(C)[nH]n1CC 1628058587 AORUAOYVBVTJFI-AWEZNQCLSA-N 404.496 1.264 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2cccn2C)ccc1F 1632620740 UCCCZUWLTGTCNG-QGZVFWFLSA-N 407.467 1.842 30 10 HDEE CN(C)C[C@]1(O)CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1634602318 ZKBXDXAMKPHVJP-LJQANCHMSA-N 421.339 1.672 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(=O)N(CC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1636713192 ZOOCSOLNRFVJGX-MRXNPFEDSA-N 406.527 1.899 30 10 HDEE CNC(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1638015852 COTHBBKZUCIGMD-FAGJFJLWSA-N 419.526 1.693 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(C#N)s2)C1 1639430236 CAAYNZMRIBPBIU-AWEZNQCLSA-N 413.521 1.660 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(C)cc3)c2)C1 1640069919 IQDDINVIUGMOBP-UHFFFAOYSA-N 400.456 1.625 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(=O)OC 1642412081 ZYPIGVXYBGYEPH-QGZVFWFLSA-N 416.455 1.165 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN(CC(F)F)C1 1643437001 KGMZNSWPYBWOLP-CYBMUJFWSA-N 414.478 1.209 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 1644215788 QGEBNRUATNYBGU-WYRIXSBYSA-N 402.476 1.829 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCC#C[Si](C)(C)C)CC1 1645184675 WPHUCJSMRAJWTM-UHFFFAOYSA-N 410.616 1.814 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCCc3nnc4n3CCNC4=O)cc2)nc1 1645382188 PVWPEVYDVKNKAH-UHFFFAOYSA-N 403.402 1.053 30 10 HDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 1645453209 HFILOLUSSOUDJX-UHFFFAOYSA-N 400.567 1.705 30 10 HDEE Cc1nc(S(=O)(=O)NCCC(=O)NC(C)(C)Cc2ccc(C#N)cc2)cn1C 1646016181 BAHSRXKRGGPNDL-UHFFFAOYSA-N 403.508 1.406 30 10 HDEE CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028433 BATLHWPUVUFTDL-DOMZBBRYSA-N 419.482 1.533 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2ccccc2NC1=O 1648602739 DEYRTWQPFRIFDG-MRXNPFEDSA-N 412.471 1.185 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1 1653120525 KVSCPHYKFLBODG-DLBZAZTESA-N 421.519 1.985 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653199807 JCJAQWYZPZNBSS-WMULWQEYSA-N 404.488 1.061 30 10 HDEE N#Cc1ccc(CC(=O)CSc2nnc(CCC(N)=O)n2C[C@H]2CCCO2)cc1 1656198016 ZPSLULFRULEVNZ-QGZVFWFLSA-N 413.503 1.651 30 10 HDEE CC1(C)C[C@@H](O)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1659811644 QHSQWMAIZAHVCJ-OAHLLOKOSA-N 413.478 1.548 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1667896130 JJYACHGTDKCAGR-QGZVFWFLSA-N 402.495 1.633 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c(Br)ccc(OC)c1F 1668200224 WBMGGIKIRDTLCL-UHFFFAOYSA-N 416.290 1.476 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)CC1 1669908070 IAUYOZYAXGKFQG-UHFFFAOYSA-N 406.870 1.150 30 10 HDEE C=CCn1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)nn1 1672055149 KRPSZQKHQIIPSB-UHFFFAOYSA-N 416.866 1.034 30 10 HDEE CCc1c(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1ccccc1C 1677184583 FRNVKRXRXOVKTI-UHFFFAOYSA-N 407.434 1.699 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)[C@H]1CCS(=O)(=O)C1 1682609442 SBYZNFQMOOQVFK-VVLHAWIVSA-N 408.524 1.212 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCCc4c(F)cc(F)cc43)C2)c(=O)nc1O 1682924116 BRCVDGCRHAOWLT-INIZCTEOSA-N 401.373 1.743 30 10 HDEE C=CCN(Cc1ccc(Cl)s1)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1685411420 GBFKIOJOAXTHMF-UHFFFAOYSA-N 403.917 1.962 30 10 HDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1689895566 YNWFBHTXEVUYEO-UHFFFAOYSA-N 414.554 1.551 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]1(C)C#C 1689930781 ZFXHGSHWBNYXJH-QFBILLFUSA-N 405.524 1.017 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689998901 ZYYWOXCPTBWPTC-SJLPKXTDSA-N 415.519 1.508 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@]1(N(C)C)CCSC1 1690099892 PHDRPMWUEOPAHA-FQEVSTJZSA-N 402.568 1.807 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1690109298 MWLWXCTWYPNYKQ-OALUTQOASA-N 414.554 1.330 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CCOCC2)CC1 1690110508 PBDIDLCHBVFYIC-UHFFFAOYSA-N 409.494 1.107 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1690173099 WAGZBBRAAZIYJV-HNNXBMFYSA-N 405.524 1.617 30 10 HDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1690347919 UXKGHLFMAAZDCH-OAHLLOKOSA-N 411.840 1.851 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnnn2C)C1 1690684480 GPPLKFUAAZSJNR-INIZCTEOSA-N 402.503 1.155 30 10 HDEE CCSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696568743 LFKCKDOGTFBIPG-KRWDZBQOSA-N 417.583 1.720 30 10 HDEE C[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1698441349 KHBUMVXDNYJBBO-WAANLJNLSA-N 400.483 1.279 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705538005 XNSNLKNMXQIYKU-QFIPXVFZSA-N 409.490 1.996 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705566312 MHSXVYLKHIJSNT-SQNIBIBYSA-N 422.551 1.716 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705566907 RPHDCRYWLHHVRU-HOTGVXAUSA-N 401.492 1.593 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1705628818 QBLLIMXVUUYZSL-INIZCTEOSA-N 407.515 1.735 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCC)CC1 1705638395 JMBDOHOSKSBWDV-OAQYLSRUSA-N 414.510 1.312 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1705893957 WYEHDMDNOPUVDB-NQIIRXRSSA-N 416.526 1.835 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NCC)C1 1705915568 WAPXFIQIUMGXKY-INIZCTEOSA-N 418.542 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C(C)C)C1 1705917738 ZCRLXWDPRAJNEO-RKVPGOIHSA-N 415.560 1.077 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705938506 APSRERHKZKUJAC-BRWVUGGUSA-N 410.540 1.593 30 10 HDEE CCc1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709162792 KLTUTHLNDSFYRC-HNENSFHCSA-N 414.510 1.906 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1710483694 OGMRBSWUFPHEEH-BEFAXECRSA-N 418.885 1.756 30 10 HDEE CO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1711531087 YVLNBZDFLOALCY-VXGBXAGGSA-N 404.393 1.112 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)C1 1712876937 XUKKOPMVHWWEHQ-HXUWFJFHSA-N 409.425 1.615 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1712880408 INXYPWYCGURTIP-QRWLVFNGSA-N 409.425 1.449 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@H](C)C(=O)N(C)C(C)C)CC1 1716807989 FACDNVBQLUHWSP-RTJUMIHMSA-N 401.551 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1722295865 VWMBPAAXHURQQI-HNNXBMFYSA-N 411.597 1.772 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1722339799 FNFSKIVMTGMHKK-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(N(C)C)c2)CC1 1722451006 VLZBEWKTPPGREN-UHFFFAOYSA-N 424.549 1.895 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1722600256 NIULATPDDFYPNN-GJZGRUSLSA-N 410.544 1.056 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1722632600 ZQVLOUBBNGROST-UHFFFAOYSA-N 407.478 1.816 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1722644552 GDVRMPIOSUNRCS-OKILXGFUSA-N 402.503 1.848 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1722658364 DBUFNIWUVDITQC-UHFFFAOYSA-N 414.485 1.982 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCOC2)CCOC1 1723679054 SYNDEKJKGBGIIL-NHCUHLMSSA-N 419.526 1.600 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1726666121 FQGLXNQUTMXBNE-HUUCEWRRSA-N 418.523 1.322 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)F)CCN1C1CC1 1731188447 FSTDTUQMXIETPQ-HOCLYGCPSA-N 410.469 1.630 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1740639739 FMCLJKKTADSRLN-QGZVFWFLSA-N 412.519 1.150 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1oc(CC)nc1C 1740678141 BTTUYTSLWKBOBX-UHFFFAOYSA-N 400.483 1.507 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(C)(C)C(=O)NC)CC1 1740698429 FIQZAHWUGBEVDV-UHFFFAOYSA-N 424.549 1.427 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](F)COC)CC1 1740698859 NXEUZJHMLWQALC-HNNXBMFYSA-N 420.514 1.009 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740896864 LKQIWCZURWJGDR-KRWDZBQOSA-N 400.531 1.244 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741698701 IADSALLEOKRGJS-UHFFFAOYSA-N 406.450 1.333 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1746695307 CLFIKTFPTCFDCQ-UXHICEINSA-N 408.522 1.960 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccnc1OC 1747131682 ZAKPYRKFHKFXAS-UHFFFAOYSA-N 421.461 1.801 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1748715443 PAZYEHZEMXZBMA-MRXNPFEDSA-N 402.524 1.453 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748817939 SYVUTSGNEKUCOF-OPYAIIAOSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(OC)cc1 1748844073 NSPVEAFPOGARPH-VQIMIIECSA-N 407.474 1.778 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1748860459 ZYQIMVCGURLNPI-UHFFFAOYSA-N 418.432 1.611 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748887167 WFSXYMKNVWWXFM-RTBURBONSA-N 407.522 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC 1748889455 KKXLCEFSYGQWMX-UHFFFAOYSA-N 414.487 1.571 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCO1 1748959951 BIPIXINIFOHWQB-OAHLLOKOSA-N 408.462 1.859 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1749199226 JYFNBLNNVLGATL-UHFFFAOYSA-N 410.526 1.710 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(CC)C[C@@H]1CCCO1 1749676034 BIHQFPRMDWBDOS-INIZCTEOSA-N 404.540 1.941 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1750389942 AXVVOOPGGDVPKE-HNNXBMFYSA-N 418.498 1.893 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO 1751089364 GDDFBJSHEUMIKO-IRXDYDNUSA-N 403.531 1.099 30 10 HDEE Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)sc1C 1751336334 HCBWXDXJQYAAPY-PWSUYJOCSA-N 411.557 1.748 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cs1 1751777007 IVLMKSOAXVZKLE-ROUUACIJSA-N 406.487 1.881 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CN(C)C2=O)n1 1751840605 AGJLPLIYNMTBAR-NRFANRHFSA-N 410.526 1.748 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760172309 YFRXIHIZNWPXFU-HXUWFJFHSA-N 422.533 1.304 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1760192483 JJVDJSRWBNENHR-HNNXBMFYSA-N 421.523 1.348 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCSCC#C)CC1 1760273171 KHDQIQIUTXJXMI-QGZVFWFLSA-N 401.536 1.462 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760364863 DUAGHUOJLHAPKE-STQMWFEESA-N 403.936 1.524 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1760520070 BHILUSMFQXXJBW-OAHLLOKOSA-N 400.458 1.491 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1760691861 TYGVEMHKKXYLKJ-CABCVRRESA-N 415.498 1.322 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCOCCS(C)(=O)=O)C1 1761542072 BFTSVQXMAGPMLE-LJQANCHMSA-N 418.523 1.531 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1771074079 NGHZXNDGLWVULK-KRWDZBQOSA-N 412.494 1.726 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1 1850007026 QWIJFMBYUFZXDQ-GFCCVEGCSA-N 420.413 1.636 30 10 HDEE N#Cc1cc2c(cc1CC(=O)NCC(=O)N1CCN(c3ccccc3F)CC1)OCO2 1851187107 VZPFSIHCUUOQLJ-UHFFFAOYSA-N 424.432 1.434 30 10 HDEE C=CCSc1ncccc1C(=O)N1CCC(Cn2ccc(=O)n(C)c2=O)CC1 1851499740 TWIRXFHRCBKGOH-UHFFFAOYSA-N 400.504 1.773 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)NC1=O 1851648624 IXPDMIMJGUCBCV-NSHDSACASA-N 402.838 1.322 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)COc3cccnn3)C(=O)C23CCCC3)cc1 1853810004 YOLCVZCRLWOQTK-UHFFFAOYSA-N 405.458 1.911 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccn2)C(=O)C1 1853952711 GHZOMVWOUUCPDQ-JKSUJKDBSA-N 410.455 1.116 30 10 HDEE N#CCC(=O)N1CCN(Cc2noc(C3CCOCC3)n2)C2(CCCCC2)C1=O 1854347220 BCTUCRUNQONHSG-UHFFFAOYSA-N 401.467 1.751 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(Br)cc1 1854866107 UMNAFYRHECEZFZ-SNVBAGLBSA-N 400.254 1.111 30 10 HDEE CC(C)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855453404 ZJGLELMBBXBXOI-KRWDZBQOSA-N 403.504 1.990 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3C[C@@H](C4CCN(CCC#N)CC4)CC3=O)n2)cc1 1856150682 NCYWKHZURZCRNI-KRWDZBQOSA-N 407.478 1.585 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)[C@H](C)C2=O)cc1 1856197720 WWLFTUTVYFPITQ-MRXNPFEDSA-N 420.535 1.694 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@@H]3COc4ccccc4C3)C(=O)C2)cc1 1856369503 YDVQMZGMTBFGLK-IBGZPJMESA-N 405.454 1.859 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1856452780 UVKSPBOMUQTCIX-RBUKOAKNSA-N 417.531 1.375 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)C2(CCCCC2)C1=O 1856553251 MLBLPGXBCCAELG-UHFFFAOYSA-N 411.430 1.941 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccnc(Cl)c2)C1)[C@@H]1CCN(C)C1=O 1857066966 BOALFETZNWGQIJ-GDBMZVCRSA-N 404.898 1.833 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN([C@H]3CCCCC3=O)C3(CCCCC3)C2=O)CC1=O 1857117472 PRTAXSQMGCJNDV-MSOLQXFVSA-N 415.534 1.906 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)CC1 1857224209 ZXOPIJKOJQHUKO-NVXWUHKLSA-N 402.495 1.466 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N2CCC(CC#N)CC2)C1=O)n1nnc2ccccc2c1=O 1857380470 SHYCMJNMGJLCCT-KSSFIOAISA-N 408.462 1.106 30 10 HDEE Cc1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)n(C)n1 1857481753 HWCOSCPBNUWWNQ-HNNXBMFYSA-N 408.462 1.137 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)s1 1857506211 NHIBSBKYKMNAOW-UGSOOPFHSA-N 409.467 1.961 30 10 HDEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCN(c4ncccn4)CC3)n2)c1 1860580558 CPJJACBLTZJNDL-UHFFFAOYSA-N 413.441 1.958 30 10 HDEE C#Cc1cccc(NC(=O)[C@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 1865988278 IVTUWIXCFSBLED-SFHVURJKSA-N 410.451 1.706 30 10 HDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCOC(C)C 1869933864 QEWSNJQONLATAY-OAHLLOKOSA-N 413.565 1.778 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653390 DSXWEQVCEGXYCS-UHFFFAOYSA-N 405.865 1.551 30 10 HDEE COCCc1nnc(S)n1/N=C/c1c(C(=O)O)n(C)c2cc(OC)c(OC)cc12 1873502898 XZGZEVMNGOZEMO-DJKKODMXSA-N 419.463 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H](O)C1(C)C 1877222901 VDZGASLCMOIJDC-RBZFPXEDSA-N 404.419 1.795 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3cccc(Cl)c3)CC2)CC1 1889406752 GGYSMHSJKDTKRD-UHFFFAOYSA-N 419.953 1.977 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C#CC(=O)O 1993924690 WSUMRXOLGUVOON-KRWDZBQOSA-N 417.506 1.995 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1C 2010384763 RGICRKIXSXSSJB-JTQLQIEISA-N 400.277 1.501 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2139216393 NXXOVUSAFGWMKQ-KRWDZBQOSA-N 417.531 1.470 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)N1CCOCC1 2157013350 AUEIWROCGYVXEX-UHFFFAOYSA-N 402.347 1.022 30 10 HDEE C=C(CNC(=O)[C@H](CCSC)NS(=O)(=O)CC)B1OC(C)(C)C(C)(C)O1 2197722723 KDVYJANPKZTEGJ-ZDUSSCGKSA-N 406.379 1.351 30 10 HDEE CC1(C)OB(c2cscc2CN2CCC[C@H](NS(C)(=O)=O)C2)OC1(C)C 2235516448 OQNMJBLWJQZEJL-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2ccc(C#N)nc2)s[nH]1 2238244483 LJCBVFYMNANEMN-UHFFFAOYSA-N 410.481 1.095 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243480271 WAMVPMBCMRYFOB-CQSZACIVSA-N 407.320 1.866 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2243675699 ZTSFRWKLRSOVRK-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247910712 NYUZGICPYOPHLO-FQEVSTJZSA-N 424.303 1.584 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2247927703 ORZRSPLRRLDNPB-ZDUSSCGKSA-N 419.287 1.662 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055915 OPIHUKHIOGZCFG-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[S@@]1=O 2267711180 HNGFNSORNLQQQB-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](CO)[C@H](N)C3)c2Cl)OC1(C)C 2281937219 WYXRIGDOLWIELG-ZYHUDNBSSA-N 400.737 1.482 30 10 HDEE Cc1sc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282054261 OIEJJBCNJKKZPM-NSHDSACASA-N 401.359 1.861 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]4C[C@]4(O)C3)cc2Cl)OC1(C)C 2282312003 PRWHZONHPFPBEG-QFYYESIMSA-N 419.761 1.846 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](N)C[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314325 XVNKFKUDVNJATD-YPMHNXCESA-N 400.375 1.714 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282338674 PAIMVNFCVKNSBE-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@H]1OCCO[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282422597 DFJWQHWPIRBPJB-YPMHNXCESA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H](N)C3)ccc2Cl)OC1(C)C 2282496682 FZFGMQFAEOULLI-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE CN(C1(CN)CCC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843855 TUNAWCUCMNYNQR-UHFFFAOYSA-N 400.375 1.690 30 10 HDEE CN(C[C@H]1CCSC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856758 XQALNLWOXRHRAG-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283073223 ZLMBZUJTRULJHR-KGLIPLIRSA-N 403.288 1.389 30 10 HDEE CC1(C)[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C(=O)O 2284398992 DYHIZWLGLVBHPB-VXGBXAGGSA-N 401.315 1.435 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](C)C(=O)O 2284399768 OGEWLCDHBSCXTR-SNVBAGLBSA-N 403.331 1.745 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)CC1(F)F 2361787143 BBQLLQRNJKGIOH-HNNXBMFYSA-N 402.423 1.876 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2365200876 CFTJLQFABHKHEN-NRTGNBEESA-N 400.541 1.161 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365208102 BHFZYQVOQKFGGP-ARFHVFGLSA-N 402.557 1.673 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](CO)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2367029792 JCINSWQBZIMGKY-CYBMUJFWSA-N 403.375 1.993 30 10 HDEE COCC1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CC(NC(=O)OC(C)(C)C)C1 2367783922 MCLIQFCRUFNZQJ-CSLYMUCUSA-N 401.525 1.638 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367795318 DLMDOQUIENQMLK-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1O)n2C[C@H](O)c1ccccc1 38169080 LQXXIZHXQMDZKN-RSFOSLOZSA-N 420.429 1.309 30 10 HDEE C=CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)Cc1cccc([N+](=O)[O-])c1 63288347 HOIQKSYLNYXEBL-UHFFFAOYSA-N 404.448 1.869 30 10 HDEE CCOc1ccc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1[N+](=O)[O-] 169907800 QBSJDYQCKVZAKW-RQZCQDPDSA-N 406.376 1.740 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 429304063 XNXQRKLZWLKFAW-GRDNDAEWSA-N 402.451 1.097 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Nc2ccn(CCC#N)n2)C1 438325951 NXMWWUONFOVNOI-ZDUSSCGKSA-N 400.405 2.451 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 461925534 IKNYRFPGSIYPRU-AWEZNQCLSA-N 407.883 2.438 30 10 HDEE COc1cc(CNC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)ccc1C#N 462473389 KDMQQJLSIUPEPM-UHFFFAOYSA-N 410.478 1.652 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1 483450913 XJTLDSHZTRMZNF-AWEZNQCLSA-N 400.460 1.924 30 10 HDEE Cc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)nc2c1c(=O)n(C)c(=O)n2C 484161298 MILCRSRFMLEUBF-UHFFFAOYSA-N 404.430 1.338 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508951030 LFUGTFSKZDSOOS-WMLDXEAASA-N 403.508 1.610 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCn3cc(Br)cn3)CC2)n1 513619464 MUKRLSUDHZSDNO-UHFFFAOYSA-N 418.299 1.834 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N(C)CCC)cc2C1=O 522898905 WOLMHPPYSBSNOJ-INIZCTEOSA-N 401.488 1.852 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4ccnc(N(C)C)n4)CC3)CC2)o1 530285230 MYBZTWXIKXKABW-UHFFFAOYSA-N 424.509 1.276 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4c(cccc4[N+](=O)[O-])C3)CC2)o1 535246833 KPHNJUOOHBFSNQ-UHFFFAOYSA-N 410.434 1.470 30 10 HDEE CCCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)n1 537885058 YLRSCZMSPDCGFD-UHFFFAOYSA-N 416.507 1.783 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 554743254 KPUUHLNEKOOBSP-MRXNPFEDSA-N 411.549 1.126 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnn(-c2ccncc2)c1C(F)F 555617082 MZJZVLFFLBCITM-UHFFFAOYSA-N 400.393 2.087 30 10 HDEE C=CCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 562615870 XQAVQQZPKCLJKO-CQSZACIVSA-N 401.510 1.240 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@](C)(C#N)C(C)C 567483639 LOFPBRJAAWASMO-HXUWFJFHSA-N 422.551 1.689 30 10 HDEE C=CCOCCNC(=O)NC[C@@H](O)COc1ccc(I)cc1 611564444 GHZMYHFRBKUHIG-CYBMUJFWSA-N 420.247 1.533 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 708106756 DIHZYMRSCJTMLP-UHFFFAOYSA-N 404.488 1.099 30 10 HDEE COCCNC(=O)[C@H](C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727628575 UUTKWBIIXVAXMC-GOSISDBHSA-N 400.479 1.422 30 10 HDEE CCc1nc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cs1 732464940 AGNNIVPHGLHAHI-ISLYRVAYSA-N 418.523 1.059 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)Cc1ccccc1 734291281 LYTZBNJSORORCA-GOSISDBHSA-N 411.483 1.905 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 734919416 LYWNGEICEQJUFH-XGWLTEMNSA-N 403.435 1.158 30 10 HDEE CCCn1cc(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cn1 734976960 WPONFOAHOTZYFP-UHFFFAOYSA-N 422.467 1.668 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(CC(C)C)c2=O)cn1 735068865 GZTWHUCOINHRKX-UHFFFAOYSA-N 415.563 1.448 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 738169593 KDPKYUOFNCAZPS-REWPJTCUSA-N 424.549 1.385 30 10 HDEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CCO1 741250659 XSTCVYBCBGPXJZ-QGZVFWFLSA-N 406.483 1.216 30 10 HDEE CCc1c(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)[nH]c(C)c1C(C)=O 741341383 BAWIWTXBKCEMSL-VXPUYCOJSA-N 401.419 1.731 30 10 HDEE CC(C)Cn1ccnc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742701201 DQBUXUOKWPDEPY-AWEZNQCLSA-N 403.508 1.673 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 751021366 RAIMONNPPWIKRR-CYBMUJFWSA-N 406.407 1.388 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1 755335830 IGCFLBQTYXCNQU-UHFFFAOYSA-N 421.498 1.712 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cc(C(N)=O)cn2C)nc1C 755349865 PWVQYSKKVGCKHL-UHFFFAOYSA-N 403.493 1.874 30 10 HDEE C#CCn1c(=C(C#N)C(=O)CC(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 758068098 QTDMKJHCGRACIZ-UHFFFAOYSA-N 404.495 1.699 30 10 HDEE CCn1c(=O)n(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c2ccccc21 760409689 RZNSWCIRKHEUST-UHFFFAOYSA-N 404.492 1.743 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)cc1 767126834 BJDJJYKKZOYWGK-QGZVFWFLSA-N 400.456 1.271 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 767318718 GQXPIJFMHQYQBZ-RTBURBONSA-N 420.531 1.976 30 10 HDEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)s1 772896149 BMPIBHOFBNIABG-AWEZNQCLSA-N 400.529 1.770 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[C@H]1CCS(=O)(=O)C1 773313581 HSWRFZMNJUBQQL-SFHVURJKSA-N 404.536 1.401 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CCS(=O)(=O)C1 774023476 PYGRYEWEBYBCMK-IBGZPJMESA-N 404.536 1.483 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CCN1C1CC1 779622663 OIMLNSGKRNSSEH-OALUTQOASA-N 402.520 1.293 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O 780207316 VBOCJQLKXGLZLL-SJCJKPOMSA-N 402.428 1.566 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@H](C)O1 780293133 RHCKKFHFCYFSRT-GJZGRUSLSA-N 414.487 1.827 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 780854719 NVLICYBXUXGOSD-GOSISDBHSA-N 419.434 1.390 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3c(F)cc(C#N)cc3F)nc2)CC1 782152722 XRQFRLFTGQJRMT-UHFFFAOYSA-N 420.445 1.614 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782418857 SSRDRFTXXKVACK-FQEVSTJZSA-N 419.482 1.914 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1CC(C)C 783347712 MGOVJQHOGHYICQ-UHFFFAOYSA-N 418.519 1.862 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)[C@@H]2CC(c3cccnc3)=NO2)cc1 790549207 LUTBGBYGLZVCIZ-MSOLQXFVSA-N 407.455 1.986 30 10 HDEE N#CC1(c2ccc(C(=O)OCCN3CCN(S(=O)(=O)C4CC4)CC3)cc2)CC1 797261484 RAQQMBICNWYUKI-UHFFFAOYSA-N 403.504 1.508 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)c1cccc(Br)c1 800706305 BCLCHNIZAGSVNI-DQHOPXMZSA-N 423.267 1.308 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 803522692 ITSAHEKLTKJDML-KRWDZBQOSA-N 415.471 1.966 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 804819816 LXHKSPNUEYZSSM-UHFFFAOYSA-N 407.883 1.904 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cnn(C)n2)C1=O 807938005 RPPRKNHWVGVNFP-MRXNPFEDSA-N 416.507 1.870 30 10 HDEE COC[C@H](C#N)OC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 811363136 NBZPDKXYKMJKNX-PQVAXVBXSA-N 406.438 1.548 30 10 HDEE COc1cc(I)c(Cl)cc1C(=O)N[C@H]1CCN(O)C1=O 816691374 PWOALTCRNAHRMX-VIFPVBQESA-N 410.595 1.673 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 858059193 LMYXWSXENMTADY-NVXWUHKLSA-N 414.487 1.608 30 10 HDEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1OC 916196722 GDHJYVJGQCHHCA-INIZCTEOSA-N 411.483 1.523 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 1124745559 PSDOUPMABHLJMM-UHFFFAOYSA-N 411.424 1.983 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1147764648 QEWNTRSMYVSXJU-KSSFIOAISA-N 404.467 1.998 30 10 HDEE COC(CN(CCCO)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)OC 1154768938 BTEYRGMVIYBERM-AWEZNQCLSA-N 409.870 1.394 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1159038622 PEEKRDOCVVXWBX-KBPBESRZSA-N 424.523 1.910 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(C#N)nc2)CC1 1159434037 VWIUBYBAOGUFHE-NRFANRHFSA-N 405.502 1.387 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 1159456011 PYNJPNDKDLDXEE-SHTZXODSSA-N 409.508 1.936 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 1164661526 XHPDFXPQWJYOLO-ZFWWWQNUSA-N 402.513 1.116 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1170450434 BJSGLXCGLFHUHX-FQEVSTJZSA-N 405.520 1.114 30 10 HDEE COC(=O)CCN(CC#N)[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 1175486659 XNQVVGCACMDFAE-HNNXBMFYSA-N 412.446 1.925 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1176837341 MCFFLEGIQYBVPR-RRCSTGOVSA-N 409.474 1.871 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 1177758520 BXRRLCYOSVBQNP-SJLPKXTDSA-N 408.543 1.256 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 1198572983 KNLUAJCAAPXVJQ-INIZCTEOSA-N 415.885 1.413 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H](C)c2cc(F)ccc2N2CCN(C)CC2)nn1 1221676281 NMDKXRQLFVIHMT-OAHLLOKOSA-N 401.490 1.915 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@]12CCN(C(=O)OC(C)(C)C)C2 1224763592 QVPAVXDTHHFTBH-SFHVURJKSA-N 401.529 1.772 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1265510486 XCAGFDVFLRTQBL-ZDUSSCGKSA-N 401.435 1.338 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cccnc2-n2cc(Br)cn2)C1=O 1270493840 OPLSTSQBDBIHOC-AWEZNQCLSA-N 404.268 1.889 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1277406446 ONRXLRWTPBMRFZ-OEUWWYETSA-N 411.462 1.229 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CCOCC1 1280097626 ROPDQMRRHPJRKQ-WBVHZDCISA-N 416.474 1.610 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(F)c(F)c1 1286466471 YZCIFIODWDMFCU-KRWDZBQOSA-N 419.432 1.672 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc3c2OCCCO3)CC1 1286488449 NXADEEKGKJUSEY-UHFFFAOYSA-N 409.490 1.762 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286504262 PJAZCNGMIKOHSE-HNAYVOBHSA-N 400.508 1.486 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccc(O)cc2C1 1286820347 JZQOWQXZAJMLEB-INIZCTEOSA-N 418.519 1.651 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](OC)C1 1286823436 NGCCICSYSAIHIN-GOSISDBHSA-N 420.535 1.991 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1288418382 MXXIBPHWZMRSNZ-FZWBFHRNSA-N 401.507 1.156 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OCC#N)cc2)s1 1292738216 YUQYDXMHUITHFB-UHFFFAOYSA-N 405.501 1.974 30 10 HDEE CCN(CCCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1295809618 DOFIYNUDFJMZEY-HNNXBMFYSA-N 405.528 1.750 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1296597149 AUKOENWTUCYQKP-OAQYLSRUSA-N 418.542 1.929 30 10 HDEE CCOc1cc(C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1296709571 GSQQTWXTASOAOQ-GOSISDBHSA-N 424.505 1.885 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)nc(C)n2C(CO)CO 1297876831 BYKVWFLFAWPNJG-UHFFFAOYSA-N 410.430 1.768 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1 1298877482 GGHYITDAOFJLIH-LIRRHRJNSA-N 402.886 1.394 30 10 HDEE CO[C@]1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1299813853 BTJXNYMHIVRQOL-YJBOKZPZSA-N 404.496 1.168 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1300303204 HAQLFDJJHUQUSE-AWEZNQCLSA-N 417.477 1.310 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCCCC2)CC1 1300682675 IORKNFLSWKCYDJ-GOSISDBHSA-N 405.543 1.453 30 10 HDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)CC1 1300756838 VAFLISADVSNFLK-UHFFFAOYSA-N 423.502 1.287 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301498242 LWPRPOWIGWWXEG-HUUCEWRRSA-N 404.515 1.315 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)COCCO1 1302052687 NZTJUOUQZKLGIB-NSISKUIASA-N 407.515 1.938 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Oc1ccccc1 1303165466 LVGUBEZMCOZCHV-QGZVFWFLSA-N 420.418 1.473 30 10 HDEE CCn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nnc1N1CCOCC1 1307275090 BGTKVIZCFMUEEI-UHFFFAOYSA-N 411.487 1.526 30 10 HDEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1315810595 JWKCEWKHXUEQJV-ZENOOKHLSA-N 402.496 1.003 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCOC2)C1 1316532637 RYHIHGSVGHLERN-MOPGFXCFSA-N 407.396 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1358886272 ARXQBQLGCXRNJV-VLIAUNLRSA-N 416.551 1.901 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1358927618 DIPWPVVILBAAAL-GOSISDBHSA-N 420.517 1.666 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCCC1(C)C 1359018310 LOFGFTHDJHKYPW-OAQYLSRUSA-N 403.527 1.541 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ncn(C)n2)CC1 1359039586 ODKUCACWLQHEOP-SJLPKXTDSA-N 412.542 1.129 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359048975 FMYGAKXHUZFDOF-SJORKVTESA-N 405.568 1.986 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359223708 UAZFFVFYDHAZHQ-SFHVURJKSA-N 407.478 1.623 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1n[nH]c(C)n1 1359238057 XSIJXDJESSRESJ-UHFFFAOYSA-N 415.527 1.530 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359286978 DIUSXTLOSDLRIR-SFHVURJKSA-N 402.543 1.840 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359299913 POCTYCVIJRHTNI-QZTJIDSGSA-N 420.558 1.021 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCOC2)C1 1359332288 UKZWEOQIGIHRAM-QFBILLFUSA-N 410.540 1.390 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1436603482 JIBTUXQOSRFATA-OAQYLSRUSA-N 409.446 1.734 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC#N)CC1 1444345871 BDHLDJJEUUFCRI-IBGZPJMESA-N 415.538 1.679 30 10 HDEE CCOC(=O)c1cn(CCNC(=O)COc2cccc(Br)c2C#N)cn1 1448763788 CQUNSDZFBJUSDD-UHFFFAOYSA-N 421.251 1.889 30 10 HDEE C[C@@H](CC(=O)N[C@H]1c2ccccc2CC[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 1456263383 CEWDZCXYPVJTCN-ZLXGRDSLSA-N 413.499 1.668 30 10 HDEE CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456587810 KVGDWTIVJBZMPG-RNFRBKRXSA-N 418.306 1.507 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)Cc2ccc(OCC#N)cc2)cc1 1462702937 VCKAPENFBHVEET-UHFFFAOYSA-N 401.488 1.839 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCc2cc(C(N)=O)no2)cc1Br 1463314336 AAWGDGDAZLEGRY-UHFFFAOYSA-N 403.189 1.025 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 1465350977 XLCFTEPDXXUQTA-UHFFFAOYSA-N 402.470 1.388 30 10 HDEE CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C)C1 1465797902 AYTZTMBGJSKPJU-PYXVISIKSA-N 404.511 1.852 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](CO)C[C@@H](OCCOC)C3)n[nH]2)c1C 1467652527 QYBBKEIWWYBMFU-DLBZAZTESA-N 417.510 1.562 30 10 HDEE Cc1c(C#N)cccc1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1469383939 QXXUKQIRDRKCPZ-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1469386662 HFIBNAGFOGTFKB-INIZCTEOSA-N 405.863 1.208 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1469877446 OKUACSLRTBHVAH-OAHLLOKOSA-N 421.881 1.117 30 10 HDEE Cc1ccc(C2=NO[C@@H](CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cc1C 1469930326 SSIHQCIWISBKRA-QGZVFWFLSA-N 422.445 1.197 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1470377076 AZFHOHINEXLVKS-CYBMUJFWSA-N 410.471 1.019 30 10 HDEE Cn1nc(O)c2c1CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1470753499 MCQVCZPHPNJXCC-GJGORFQUSA-N 415.494 1.797 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCN2C[C@H]3CCCCN3C2=O)CC1 1470898264 NPGWWXYBQQGNEO-MRXNPFEDSA-N 414.485 1.819 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(Br)cn1)c1cc[nH]n1 1471238559 VGUKBDGGFWQBEG-UHFFFAOYSA-N 410.228 1.167 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCO[C@H]1C1CC1 1471773096 CGLLFWRQDFSBGC-RYRKJORJSA-N 405.520 1.824 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1471777425 NXSUSZAEQZDPJQ-AWEZNQCLSA-N 418.512 1.036 30 10 HDEE N#Cc1csc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)n1 1472146680 SNBFVBWNOCMSCD-UHFFFAOYSA-N 407.296 1.416 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCOc2ccc(Cl)cc2)c(=O)n1C1CC1 1473073135 OOLLZPPIHULCEV-UHFFFAOYSA-N 402.838 1.374 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 1478511427 NKTVRPSAJDKDBJ-UHFFFAOYSA-N 417.890 1.317 30 10 HDEE CC[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1)OC 1497170841 BQBJKYRCLZOUSQ-PBHICJAKSA-N 420.539 1.821 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1503701635 DDNUFGOXHNQDDK-OAHLLOKOSA-N 412.494 1.726 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)CC(F)(F)F 1507612654 YIEZPWHAWXSZCC-UHFFFAOYSA-N 419.415 1.484 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1507795515 DPNWZIBBMKLFKF-ZWKOTPCHSA-N 423.583 1.999 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507948713 UIFRLHTVYBWTMJ-JKSUJKDBSA-N 402.499 1.023 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(Cn2cncn2)CC1 1507961889 IMOKBMMRXYHXFZ-UHFFFAOYSA-N 409.498 1.836 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508087280 OKVLBNYRWNNDLW-CJNGLKHVSA-N 423.477 1.103 30 10 HDEE COc1ccc(OC)c(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)c1 1518316002 ASRBCOYKMUDPQK-FQEVSTJZSA-N 416.457 1.924 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1518765201 MAWHFUIFBMTFTQ-FUHWJXTLSA-N 419.457 1.565 30 10 HDEE Cc1c(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cnn1CCC#N 1525827841 DVXQOJBGRPNPKB-YBEGLDIGSA-N 410.459 1.967 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2nc3cc(C#N)ccc3n2CC)[C@H]1c1nccn1C 1535719507 ODGKVVCQSWXFKB-ROUUACIJSA-N 421.461 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCO[C@](C)(C#N)C3)nn2)C1 1536619950 VQQLARHYNHCLDM-IFXJQAMLSA-N 404.471 1.605 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1538977272 VFWFQAKCOBGJHP-QRWLVFNGSA-N 401.467 1.411 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1539161461 FITSWXVYWYQTKN-UHFFFAOYSA-N 422.493 1.433 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCCN1CCCO[C@H](C)C1 1539407624 JDRWYXOQBUBDOX-LJQANCHMSA-N 412.538 1.927 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(COCC)cc2)CC1 1539428025 LVBADSOBIVMUBU-UHFFFAOYSA-N 424.549 1.756 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539665803 FGHGXHDEDXOALH-IBGZPJMESA-N 405.524 1.601 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1540870334 KTLKRIPRXNKDFD-IAGOWNOFSA-N 407.515 1.452 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC(=O)N1C 1545061545 UAQPWUXOGKKJCK-SJLPKXTDSA-N 424.505 1.822 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(-c3ccccc3)n2)s1 1545833346 UPQCEAYIWYSKHM-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1OC 1546579200 HGKNRRNFFNHNLA-GUDVDZBRSA-N 424.505 1.583 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@](C)(C#N)C1 1548330953 VOBZYTBDWXILBS-VQIMIIECSA-N 424.571 1.931 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1557095411 KTXXSWXFCAIBNM-STQMWFEESA-N 417.890 1.303 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1557300988 UQVRPNLOTDSNTH-DQRAZIAOSA-N 407.474 1.555 30 10 HDEE CC1(C)[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1N1CCOCC1 1557316783 PXVMVDSKLJXGCA-QZTJIDSGSA-N 420.535 1.108 30 10 HDEE Cc1cc2c(NC(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)n[nH]c2cc1C#N 1557351799 HQGLZDSGCHWJAL-UHFFFAOYSA-N 411.443 1.690 30 10 HDEE COC(=O)CSCCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1557389898 JQVHHPYMURMQBL-UHFFFAOYSA-N 413.503 1.893 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCSC[C@H]1C#N)N2C(=O)OC(C)(C)C 1558959216 JLYYUVJFMRVNEW-CAEXGNQWSA-N 409.508 1.641 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)C2)nc1 1559037315 RJXIAWHORZPCPE-HSALFYBXSA-N 423.517 1.797 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@H]1C(=O)NCC(F)F 1559842118 FYSLZZXOHNPZJX-INIZCTEOSA-N 416.432 1.918 30 10 HDEE C#C[C@@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCOCC1 1563963771 BFEVVMNPOOACQS-LJQANCHMSA-N 400.527 1.106 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 1565156416 JGHNUBORFIFRSG-MOPGFXCFSA-N 401.507 1.963 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1 1570873219 FBARWFOIAUWZCP-SFHVURJKSA-N 408.520 1.448 30 10 HDEE N#Cc1ccc(NC(=O)Cn2ncn3nccc3c2=O)c(I)c1 1584666888 IADNMXYQCLWWQN-UHFFFAOYSA-N 420.170 1.006 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1588069595 QZHLKHJHWAZKTA-INIZCTEOSA-N 422.942 1.519 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC[S@](=O)CC 1588094209 UVYOOGZOABJKGD-RUZDIDTESA-N 422.352 1.888 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1588865370 VTCQMGMNHPIYHR-WOJBJXKFSA-N 411.554 1.446 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H]1OC 1589151339 XNZUAXMUGLHUPL-CYJAXWMASA-N 409.556 1.696 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 1594090229 FGVHBCUHOGWMDC-SFHVURJKSA-N 401.559 1.413 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCOC(F)(F)C(F)(F)F)c1 1594654286 YCLVBUJKXFOSJA-UHFFFAOYSA-N 400.325 1.500 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1608399401 BEPWEFKTCXVWIU-WOJBJXKFSA-N 418.448 1.905 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cn2ccsc2n1 1608399704 FTDLUABNWKPLBF-KRWDZBQOSA-N 402.459 1.616 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1611315343 WJPHLJDJNPMRGF-DYVFJYSZSA-N 409.537 1.218 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)cs1 1612403107 NQZNCQMOUQNLIY-UUWFMWQGSA-N 406.487 1.616 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OC 1622571297 ARJBOTRKEVVMEZ-WBVHZDCISA-N 411.476 1.729 30 10 HDEE CS(=O)(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1622866561 AHHVFMBUSCOCSW-OAHLLOKOSA-N 401.448 1.901 30 10 HDEE N#C[C@]12CN(C(=O)c3nc(Br)c4ccccn34)C[C@H]1CS(=O)(=O)C2 1627136985 PPDCAGXUJFEUPK-ZUZCIYMTSA-N 409.265 1.107 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2sc(C)cc2Br)CC1 1628147196 ZFBLWXVDMIOFAZ-UHFFFAOYSA-N 412.353 1.645 30 10 HDEE Cn1c(S)nnc1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1628422575 WMUKWQVTTJGWPN-UHFFFAOYSA-N 423.495 1.560 30 10 HDEE C[C@H]1CN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)CO1 1629043450 VCOULKRQKOGKAZ-KGLIPLIRSA-N 421.339 1.982 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)c1 1629080129 ABZHKDVGDQJYBS-UHFFFAOYSA-N 411.443 1.720 30 10 HDEE COc1ccc([C@H](CN2CCCC2)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1630884018 FHUIIQRGVUCXQC-SFHVURJKSA-N 411.462 1.173 30 10 HDEE CC(C)[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1632491221 QLOZIVNVTXDPGX-AQZMIJIOSA-N 404.511 1.756 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1633300969 GLTYMCKCKJUBNW-GOSISDBHSA-N 424.519 1.460 30 10 HDEE C#C[C@H]1COCCN1C(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1634071597 OGOHMGBZBCLCGU-XJKSGUPXSA-N 406.280 1.906 30 10 HDEE C#CCN(C(=O)Cn1cc([N+](=O)[O-])nc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1634818029 MKTIBSTYEOZKPE-UHFFFAOYSA-N 405.455 1.961 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nc(Br)sc2Cl)CC1 1634876383 NIKYNNKCKFTDJI-UHFFFAOYSA-N 405.705 1.066 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1636289179 PNUIIWZWRNZTNM-PPSBMQLTSA-N 405.520 1.956 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cnn(C)c2I)c1C#N 1638117461 WFNWTOZWJLLZOH-UHFFFAOYSA-N 413.223 1.024 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1c(C#N)nnc2ccccc12 1640018279 HQHHZQPGZCVXSG-UHFFFAOYSA-N 401.423 1.803 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)c1 1641569878 LWSFJVWQZDGDDN-DZZUKKPASA-N 420.409 1.172 30 10 HDEE C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1C(=O)OC(C)(C)C 1641787485 HIOFTXGLKORQFA-CJNGLKHVSA-N 422.507 1.351 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1644428829 MBAIRAOECPAVOI-BARDWOONSA-N 412.408 1.349 30 10 HDEE Cn1cc(C(=O)NCc2cncc(C#N)c2)c(CN2C(=O)c3ccccc3C2=O)n1 1645032421 SQPXFGAWZWKLNS-UHFFFAOYSA-N 400.398 1.413 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1645462657 BQURXGFNTCUIRO-INIZCTEOSA-N 418.461 1.500 30 10 HDEE N#C[C@]12CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1648503751 UITDHXZLWVLRBG-XGWLTEMNSA-N 424.320 1.425 30 10 HDEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCOC2(CCS(=O)(=O)CC2)C1 1655109453 LONVATYDUPLZGW-CYBMUJFWSA-N 411.911 1.818 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC(=O)Nc3ccccc3C2)CC1 1659173284 FFVLTPQKMHSZCL-GOSISDBHSA-N 409.515 1.911 30 10 HDEE CN(C)c1ncc(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)n1C 1667089442 HRERLOCAEDGSSH-UHFFFAOYSA-N 416.276 1.738 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1670709368 GSHUNFQKWLTEIR-ZDUSSCGKSA-N 422.956 1.687 30 10 HDEE CC#CC[C@H](CO)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1676430017 VYJPJKWLMIFIOR-CABCVRRESA-N 403.483 1.347 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1682352987 YJLGVUTVPHUEPO-HXUWFJFHSA-N 408.483 1.949 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1685557902 QMRXSGBDKSHLPJ-WYGUVQOISA-N 424.523 1.107 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CC1 1685575215 SHXRPLADNOLJIT-KRWDZBQOSA-N 407.478 1.554 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1686368820 VYTKRNDUEKKTSH-GOSISDBHSA-N 417.481 1.013 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CCOC 1689835438 MSVCQAUXLAJPQO-MRXNPFEDSA-N 419.551 1.385 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1689847777 HTSMSCJWQJIBLU-NYHFZMIOSA-N 422.489 1.455 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCNS(C)(=O)=O 1689865672 ZPKLRCONWQRXCM-AWEZNQCLSA-N 409.487 1.393 30 10 HDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCS(=O)(=O)CC1 1689939808 DEDPGVXFZHLAIK-UHFFFAOYSA-N 418.519 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690075789 UXWHQTOWNRVZID-KRWDZBQOSA-N 417.535 1.522 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCC2(C)C)CC1 1690111463 CCGIVQIUENMVMI-DLBZAZTESA-N 422.599 1.470 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1690655067 GBZSZQGCSANXFG-RDBSUJKOSA-N 417.432 1.693 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690667265 XERHIMAVSYXSMT-LSDHHAIUSA-N 403.458 1.627 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1690677298 UACYBLGKKLAHTG-WOJBJXKFSA-N 402.499 1.362 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1698058829 NHKCRCFFHHLMAR-OAQYLSRUSA-N 410.478 1.989 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC[C@@H](CC(N)=O)C2)o1 1698488549 QFWAAYZZNFCLFX-INIZCTEOSA-N 405.462 1.869 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1705569317 BJPGLTLFWYNKGP-KRWDZBQOSA-N 418.567 1.780 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1705584851 ZVBUBAIEYSNEAM-UHFFFAOYSA-N 417.473 1.161 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1705598463 KFAFMKZXIAABIQ-INIZCTEOSA-N 417.560 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(C)=O)c1 1705600851 NYOQAKSQHWFJTR-UHFFFAOYSA-N 418.501 1.870 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@H](C)C1 1705621756 NGDXSYQZSXARIN-SJORKVTESA-N 412.494 1.827 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](COC(C)C)C1 1705658451 PZELUXSPAAMSIC-QGZVFWFLSA-N 404.540 1.675 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1705671884 AZEDZZBEPPUVKT-YJCBXQLOSA-N 418.461 1.254 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nncn2C)C1 1705928652 GZLIEQRLEJQYSD-QGZVFWFLSA-N 413.457 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)C[C@@H](C)C1 1705937785 FBLVZSHMCLZOFV-HZPDHXFCSA-N 409.556 1.484 30 10 HDEE CCCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1709676842 ZTIAKJRJVOOYPN-AWEZNQCLSA-N 402.455 1.551 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2sc(C)nc2C)CCOC1 1710482618 HTWXPLLVCODOGC-HNAYVOBHSA-N 418.523 1.781 30 10 HDEE COCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1712389216 KLDFMEQNRYHLNL-OAHLLOKOSA-N 417.466 1.736 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722371368 VSMSWHZVUOYFNO-DLBZAZTESA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(C)(C)O)cc1 1722385328 FPZVSIXRSSYQDA-UHFFFAOYSA-N 405.502 1.749 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@H]1C 1722389680 KVULATAXSQVWLM-HRAATJIYSA-N 409.446 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccnc1-n1cccn1 1722424352 KHUOIOMLHKSNOX-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1722435937 XGPXCTHRERIMSW-FQEVSTJZSA-N 423.565 1.452 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722454670 CNUAMNOVKZUPIW-HUUCEWRRSA-N 404.492 1.573 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722458904 WVAYZLAWBQTJOQ-DOTOQJQBSA-N 413.551 1.398 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1722471394 FZRGMWBOUWSBPO-WZONZLPQSA-N 420.517 1.971 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C 1722475586 VTICDXGBQNIXNS-OXQOHEQNSA-N 421.567 1.335 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722532102 BSXOVUSKFOSIGL-SJORKVTESA-N 418.542 1.563 30 10 HDEE C=C(Cl)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)CC1 1722550000 DPMCZZSHFPJOPG-UHFFFAOYSA-N 404.883 1.915 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722690342 IHSUFXJPDIYQEE-UHFFFAOYSA-N 414.470 1.334 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCOCC(F)F)CC2)c1C#N 1725869794 ZGCVWEGYYFPRAE-UHFFFAOYSA-N 420.468 1.677 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1726401841 FABKALOPXNFJAO-OAHLLOKOSA-N 418.498 1.359 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1728420920 AJZPCVJSMXWGEY-QGZVFWFLSA-N 401.515 1.371 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)S[C@H](C)C1 1729738814 AMMNWRRVXJCJEI-OKILXGFUSA-N 420.564 1.696 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730366622 BNHQEMZUGPTDBT-HMWBCQRISA-N 411.466 1.415 30 10 HDEE COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NC(=O)C#CC2CC2)cc1 1740126807 GFZYNAIFHFXGPH-CJIGKZKRSA-N 420.509 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1740540006 XEXNKYOXZIMBNK-HNNXBMFYSA-N 412.519 1.809 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1740547493 VZVWXISZBVEXEB-OAHLLOKOSA-N 416.489 1.915 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1740575854 WIROGTNXVSEEFD-BZSNNMDCSA-N 421.567 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)c1ccccc1 1740607598 WYTZYOYCBLFVKG-UHFFFAOYSA-N 410.503 1.696 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCO[C@@H]1CCOC1 1740659451 ZDVUSYCGXFWFRX-HXUWFJFHSA-N 410.522 1.798 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1740660028 CSTUWKHECFSWHV-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2Cc2cnnn2C)n1 1740688186 BIJSGRJYSSPWEA-UHFFFAOYSA-N 423.525 1.595 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCOC1 1740775821 GMSRPTOVYDACMX-IBGZPJMESA-N 405.524 1.823 30 10 HDEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1740843649 MWYMTYUNIOFMKZ-UHFFFAOYSA-N 401.519 1.339 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740885312 DECHGPBMTFAYEG-LSDHHAIUSA-N 417.470 1.091 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740965784 SMYWZPKTYXPOPA-XGHQBKJUSA-N 403.527 2.000 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1741131696 HCJCNVFMNBVMRW-PKOBYXMFSA-N 403.575 1.651 30 10 HDEE CC(C)OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1741753898 CIRCRBSAEIYSHO-OAHLLOKOSA-N 418.523 1.813 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(Cl)c2c(c1)OCCO2 1748799688 VLNLXTVFXWAFAD-UHFFFAOYSA-N 415.881 1.943 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1748926923 YGPVKDMLBRNZNS-UHFFFAOYSA-N 410.526 1.436 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1749147971 VOUGGAYCDOZPAH-APWZRJJASA-N 412.556 1.767 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1749425043 SPBWBXXACGRYMH-UHFFFAOYSA-N 416.482 1.267 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1C 1749676118 FDVBNORPLUMABC-UHFFFAOYSA-N 414.539 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749731667 HYAKJYFKHCFMJV-UHFFFAOYSA-N 422.555 1.140 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1750387759 AEMUJUBANNAQMB-ZBFHGGJFSA-N 419.482 1.171 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1751495604 FDXRFNLDCBKYHV-STGLLQLASA-N 412.450 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1760110910 ULLLFSCSSDEZRZ-AWEZNQCLSA-N 400.508 1.444 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)OCCc2sccc21 1760201987 PSWQBGUBPGHUOO-IERDGZPVSA-N 409.515 1.852 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1760225428 PMKSSTPRDDBKPO-GFCCVEGCSA-N 419.536 1.401 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1760236501 YEMNBJNPAGGDKJ-QZQOTICOSA-N 422.464 1.994 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1760263221 SKZJRSHHILEKIR-SFHVURJKSA-N 405.568 1.201 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1760281626 PCYUYNNRLZTFAH-CRAIPNDOSA-N 410.565 1.163 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760359037 BCKJKLIJLYQGEK-QZTJIDSGSA-N 402.543 1.666 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760522159 MRYNGEYRJZPUER-VKJFTORMSA-N 413.478 1.300 30 10 HDEE CC1=CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1762179543 SWUZKKCFIAQNLV-RJCBAWPRSA-N 412.494 1.855 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1763128043 LCOHXXNGMFVUQB-GVOGQVFTSA-N 400.483 1.401 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1763253910 XABXDQLOSQXWCV-WMZOPIPTSA-N 423.521 1.490 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1764820293 VGGKNZZIOKHWEL-DAYGRLMNSA-N 410.519 1.487 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1769974495 HIFMZSGHRJEDRT-BBRMVZONSA-N 411.466 1.680 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1770778994 GETFFLTZLXUPNH-OALUTQOASA-N 415.494 1.864 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1771281973 ZNWPSUKTJYSATP-XNXCGYLDSA-N 419.526 1.936 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CC=CCO2)cc1 1771532473 BJWCTSNWOBXVSO-LJQANCHMSA-N 422.489 1.633 30 10 HDEE CN(C(=O)CCCN1C(=O)c2ccccc2C1=O)C1CN(c2nccnc2C#N)C1 1849631892 BFQYFUUWYKIELT-UHFFFAOYSA-N 404.430 1.072 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N([C@H]3CCc4ccccc43)C2)c(C#N)cc1C#N 1850722376 AJBSQOSUAXSJDG-AEFFLSMTSA-N 401.426 1.730 30 10 HDEE CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ncccc1C#N 1851486868 CWYRELYLFZTMIX-HNNXBMFYSA-N 406.851 1.797 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)c2ccc(N3CCOCC3)nn2)c1C#N 1852425025 HDLUIYRRGIRXQU-UHFFFAOYSA-N 403.446 1.990 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4cc(OC)ccc4C3)CC2=O)CC1=O 1854318880 KFXQZXVQPKEMMA-LPHOPBHVSA-N 411.502 1.463 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc3n(n2)CCCO3)CCN1CC(=O)c1ccc(C#N)cc1 1855142156 KGTMUBUXUNGMFQ-CQSZACIVSA-N 407.430 1.093 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1=O 1855411757 JNGKRHYMMMFWDH-QFBILLFUSA-N 409.490 1.740 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1855598082 PNMKQWIRCHRIGE-KRWDZBQOSA-N 416.913 1.709 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855607267 JGMGPCYTQZJJNR-MSOLQXFVSA-N 403.523 1.431 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@H]2OCCc3ccccc32)c2ccccc21 1855757883 NSEWWXQHYFXXDE-IBGZPJMESA-N 411.439 1.534 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1 1856218408 NKVPHQYKKFDVGK-QGZVFWFLSA-N 405.476 1.911 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CN(C(=O)C3CC3)C(=O)O2)CC1 1856349924 GOMIKEMXLGPRPG-MRXNPFEDSA-N 403.460 1.716 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856573786 WTHIBQUBORWICD-XJKSGUPXSA-N 409.895 1.266 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1856998527 FJSGTEPTYLEFAX-KGLIPLIRSA-N 401.492 1.489 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1F 1857112265 VEFRFJMBJZLPFS-KRWDZBQOSA-N 410.405 1.605 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2nc3ccccc3o2)C1)[C@@H]1CCN(C)C1=O 1857262323 JYOXMBBMSZQYFT-DOTOQJQBSA-N 410.474 1.464 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857264734 OQFWTSYMEDXDEK-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)cc1 1857387579 ROTCKUBRQRTNNL-IBGZPJMESA-N 408.502 1.910 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)CCC1=O 1857465223 MCINHOZGAMQIIU-ZDUSSCGKSA-N 423.395 1.428 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(Cc2ccccc2Cl)CC1 1861176896 MYODCJPZTLCGQP-MJGOQNOKSA-N 405.926 1.816 30 10 HDEE C=CCn1cc(OCCCOc2ccc(C)cc2)c(=O)cc1CN(CCO)CCO 1870776914 ZJTPJLCGRKQBLA-UHFFFAOYSA-N 416.518 1.977 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCC(C)CC3)ncnc21 1873561092 FJSUCXANXGBVLI-UHFFFAOYSA-N 412.538 1.604 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)CS2 1891999409 NTERAXRUYDOYMQ-KGLIPLIRSA-N 412.475 1.005 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCC#N)CCN1C(=O)OC(C)(C)C 1957295080 ZYWZVVQGIWFIMU-UHFFFAOYSA-N 418.516 1.935 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1[C@@H](OCC)C[C@H]1NC(=O)OC(C)(C)C 1982302439 IXDAIKSRLBUDSX-GRYCIOLGSA-N 413.334 1.885 30 10 HDEE C#CCn1ncc(NC[C@H]2CCCCN2C(=O)C(F)(F)F)c(Br)c1=O 2106082108 YBXALPCBEKKVGQ-SNVBAGLBSA-N 421.217 1.994 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118153958 DPZVJSMOOPOICO-CANCMXDXSA-N 408.546 1.431 30 10 HDEE C#CCOCCOCCNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2189866498 WWEYQVSHMLCKPE-UGKGYDQZSA-N 418.490 1.585 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](O)CN2C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379282 HWXUKEKHRIZZIN-AWEZNQCLSA-N 406.288 1.204 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2243383745 CFGHXOJWPNARJG-UHFFFAOYSA-N 406.292 1.400 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243665760 VHCIJMMZMGROAA-SFHVURJKSA-N 424.332 1.597 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247823324 NSHXCAPDFPGDNO-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)[nH]n2)OC1(C)C 2247827053 DPNMCIGLYIITQP-HZPDHXFCSA-N 408.311 1.569 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247830127 OTDHNDAITRFRHI-AWEZNQCLSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]2[C@H]1CO 2247841849 XZNQPBQOVVDTFY-ARFHVFGLSA-N 420.315 1.307 30 10 HDEE C[C@H]1CNCCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354607 CDDUSUQZNWBIBX-JTQLQIEISA-N 406.766 1.683 30 10 HDEE CN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2281971232 IQCPWEBKYBHQBN-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282321058 RENAJWQASXSURC-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE CN(C)[C@H]1CCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335266 NFEMJVNXUMMFBJ-KGLIPLIRSA-N 400.375 1.808 30 10 HDEE CC[C@H](C)N1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342926 BACYTCXBAVSKIC-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506495 STWTVHFSEXPZQQ-VDBVYFBLSA-N 421.415 1.576 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@]1(C)CN 2282851172 YMLSGCUUFHGWON-SJKOYZFVSA-N 400.375 1.653 30 10 HDEE CC1(C)CC[C@H](CO)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858889 FBRIRWLVWGSFFN-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3COCCO3)s2)OC1(C)C 2282861958 WUVAOSOYLGKAEW-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)c2)OC1(C)C 2284408856 BTVSVNSXRGSFQK-LLVKDONJSA-N 401.315 1.533 30 10 HDEE C[C@H](CC(=O)O)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284410312 SMGYUHZOASKFQH-SNVBAGLBSA-N 404.319 1.067 30 10 HDEE CN(C1(C(=O)O)CC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284414865 UESSVWACSWJQIW-UHFFFAOYSA-N 421.733 1.938 30 10 HDEE C[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300277076 TTWZUVNDOUSCBW-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE COc1ccc(-c2nnc(=NN=Cc3cc([N+](=O)[O-])cc(OC)c3O)[nH]c2O)cc1 2323288672 GPSGEYVGCQPMGF-UHFFFAOYSA-N 412.362 1.743 30 10 HDEE COc1[nH]c(=Nc2nn(C)nc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2343011201 BJARBMYRYXJIOQ-UHFFFAOYSA-N 410.081 1.446 30 10 HDEE Cn1nc(I)cc1[C@H](C#Cc1nccs1)OCC(=O)O 2363662158 GZTBLAVPVQTWDJ-VIFPVBQESA-N 403.201 1.675 30 10 HDEE C#CCCN1CC[C@H](NC(=O)c2c(Br)c(Br)nn2C)C1 2364056996 WXEFJFMAFXIEPA-VIFPVBQESA-N 404.106 1.773 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CCO[C@]2(C#N)C1 2364274179 ORMUIQKVHPDSMX-JMCQJSRRSA-N 404.062 1.700 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365209788 HTKTYOFJTQYZJX-LIRRHRJNSA-N 401.525 1.828 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2365211358 LPXXMAHEQOHKPL-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367808358 CADKATHLKDTSKP-HNAYVOBHSA-N 402.557 1.457 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2367808690 FTDPGDWYHZPHJY-KUHUBIRLSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367814570 JPMOJTQDVZTQRR-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)c1 20293152 BQXGVKUEAAHCEL-CNHKJKLMSA-N 418.508 1.942 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2C)nn1 23571683 FOBLVOMNWOKERS-VBKZILBWSA-N 414.466 1.969 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 23702334 QDYWEMWMSMIEQF-UHFFFAOYSA-N 410.496 1.326 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 43760690 DGNPPLIANBBADV-INIZCTEOSA-N 403.446 1.650 30 10 HDEE N#C/C(C(=O)N1CCCC1)=c1/s/c(=C/c2ccc(O)cc2)c(=O)n1-c1ccccc1 105828190 FJRKVIITJRRCRK-PLZCPHGYSA-N 417.490 1.730 30 10 HDEE COc1ccc(C)cc1N1C(=NC(=O)CCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 254866451 IRLJJDBCLKVADP-TZMCWYRMSA-N 412.489 1.470 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)c1 257178722 BYXHTJQLBMNCLU-PMACEKPBSA-N 406.442 1.474 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)NCC 407674126 VGXDPYAVIJIJNC-YESZJQIVSA-N 401.573 1.943 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 409477103 VJUXINRRQZBIQJ-IAGOWNOFSA-N 418.922 1.921 30 10 HDEE CNC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 435954887 RMOUMVWRDKUJED-KSSFIOAISA-N 414.487 1.219 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)cc2OC[C@@H]2CCOC2)C1=O 445951930 HBGFLIBDIVLJMU-OAHLLOKOSA-N 415.446 1.003 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@H](C)OC)nnc12 461288027 ZWUOJHACZBVKRW-OLZOCXBDSA-N 401.492 1.862 30 10 HDEE COc1c(F)cc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1S(N)(=O)=O 461738411 SNSJJLRXTWLZGV-UHFFFAOYSA-N 419.434 1.186 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 476569934 AEDJEJFPPSHHOW-KRWDZBQOSA-N 421.457 1.653 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)C(C)C 480542526 PJXJWTSLFVUMRJ-MSOLQXFVSA-N 400.589 1.750 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 483541833 IMBBWAPZSCTZLO-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](C)Oc2ccccc2C#N)C1 485896262 GLOCZJFVUCEKAZ-WBVHZDCISA-N 409.508 1.225 30 10 HDEE CC1CCC(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 488765126 VTODDCSGOACWAY-UHFFFAOYSA-N 422.526 1.699 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)c1 500512718 IMVRNKNDICZWLK-UHFFFAOYSA-N 402.414 1.525 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 504362923 RIZBKYHNEYEJON-NRFANRHFSA-N 403.486 1.902 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CCC)CC1 508880952 NQQCESQGKVXSSZ-UHFFFAOYSA-N 418.567 1.913 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccccc1C#N 531655714 OWRAMBPYDDKHTH-UHFFFAOYSA-N 422.491 1.090 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc(C)cc2C(=O)OCC)CC1 532740633 UFIAQRQQEKEXMU-UHFFFAOYSA-N 408.524 1.092 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 533753528 QRZNXEABGIFKEP-LSDHHAIUSA-N 424.486 1.683 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 539452340 BZPOYAJWPBYRFH-MSOLQXFVSA-N 417.579 1.790 30 10 HDEE COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544838381 TVCWCCOXDYAYLK-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3F)n2CC)CC1 549068968 UFPPFGGTRSQOJE-UHFFFAOYSA-N 402.474 1.440 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCCC[C@H]2c2nnc(CC(F)(F)F)o2)CCO1 553886945 PGXNSARMNJCVHG-QWRGUYRKSA-N 409.390 1.171 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 555331391 QTVQPOMKTKPFQA-VQIMIIECSA-N 415.490 1.992 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CCCC1 557849486 RVPYUPVEAXRLPY-CVEARBPZSA-N 403.504 1.909 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)NCCCc2ccc(OC)c(OC)c2)CC1 560702924 UBAOENPDIJJUHF-UHFFFAOYSA-N 403.523 1.909 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCCc3ccccc32)C(=O)O)cc1F 562374785 CYEJIMRXVZMVTF-QGZVFWFLSA-N 403.435 1.882 30 10 HDEE Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 578536724 DUGHOADFMVMZNL-CYBMUJFWSA-N 401.467 1.988 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)c(F)c1 585719408 ROKLQAPFJWPAND-IBGZPJMESA-N 408.433 1.793 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCCCN1CCCS1(=O)=O)c1ccccc1 609421377 NSMUIKQWZUWTFT-UHFFFAOYSA-N 406.508 1.255 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 619753649 ZWXJGLHRLHCMNU-RKVPGOIHSA-N 412.943 1.876 30 10 HDEE NCC#Cc1cc(Cl)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703972844 VUUFKQCZNGMQPZ-UHFFFAOYSA-N 417.874 1.688 30 10 HDEE COC(=O)c1coc(C(=O)/C(=C(/S)NC[C@H]2CCCO2)[n+]2cccc(O)c2)c1 729667330 CTWRJJYFRYWDSE-CQSZACIVSA-O 405.452 1.767 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 731862593 HZNKZTADDGFXOQ-ZZEZOPTASA-N 413.434 1.454 30 10 HDEE COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 732669540 CCAFMWYXOYFFIE-CYBMUJFWSA-N 417.409 1.853 30 10 HDEE CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706046 CNUYNLYWXWEOSS-CQSZACIVSA-N 403.870 1.179 30 10 HDEE CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732708015 KKDNPPXNSRGDHK-OAHLLOKOSA-N 417.897 1.615 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccccc1C 732795625 PZAKFKRDZMYYPH-UHFFFAOYSA-N 407.499 1.234 30 10 HDEE C[C@@H](CC(=O)NCCCNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742636354 JUQIKKSEFOQPJW-ZDUSSCGKSA-N 424.523 1.535 30 10 HDEE C[C@H](OC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745700543 BISUPCZOMXVZSN-PGUXBMHVSA-N 421.519 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746195373 CRNXKTRIPNFVET-ISLYRVAYSA-N 406.483 1.666 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)c1 750432699 LOJHWGGMJYQCNV-IBGZPJMESA-N 410.451 1.988 30 10 HDEE COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 756150634 GRSULQYINYZHQT-UHFFFAOYSA-N 421.866 1.299 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)C1=O 771242340 GJBGGWAZRLUZFJ-HRAATJIYSA-N 410.405 1.982 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771444565 FNGSVJLAQZKJFS-RBZFPXEDSA-N 403.435 1.005 30 10 HDEE C#CCN(C(=O)NCc1cc2c(cc1OCC)C[C@H](C)O2)[C@@H]1CCS(=O)(=O)C1 774147971 KFGFGBRLFNYXGM-WMLDXEAASA-N 406.504 1.741 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cn2)C[C@@H](C)O1 780293776 XGYRULMTINXYJZ-HUUCEWRRSA-N 414.487 1.827 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 780749982 IYGCUUPOKGEDMO-QPJJXVBHSA-N 417.447 1.105 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780861032 PVWWWFIZEGZKLR-QFIPXVFZSA-N 422.485 1.915 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCCC3)sc(=Cc3ccoc3)c2=O)cn1 781662477 SJLQTCAMJZLCQG-UHFFFAOYSA-N 408.483 1.971 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)n1 790114696 BYEUEKYHPLNFOI-QFIPXVFZSA-N 410.474 1.950 30 10 HDEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1ccc(C#N)c(F)c1 790260714 RKYHJSDYBRMRBE-UHFFFAOYSA-N 413.390 1.564 30 10 HDEE C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 804369757 AXKBSECVADOLLB-UHIISALHSA-N 419.425 1.682 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)c3ccc(Br)cc3C#N)C2=O)n(C)n1 1126625632 CRSPSRJVYRAFLI-AWEZNQCLSA-N 402.252 1.898 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1127988668 GXUSEBSMRQKFAL-UHFFFAOYSA-N 400.395 1.637 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3C[C@H]3C3CCOCC3)C2=O)cc1 1132634740 LSXNGXHNOWOYPI-WDSOQIARSA-N 410.474 1.942 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1132695430 VCWRLTBEWNEIRL-AWEZNQCLSA-N 415.562 1.963 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(F)(F)F 1134050306 FXJTZBVEWBOTFH-PYMSSDGJSA-N 408.380 1.750 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 1136198198 JGQOCIAPNJUHBA-QGZVFWFLSA-N 400.479 1.868 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1136411469 NYQOVHOMTBBVOZ-UHFFFAOYSA-N 414.553 1.410 30 10 HDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1139659119 ZVBVSLOEDAAYNU-BBWFWOEESA-N 413.515 1.446 30 10 HDEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)ccn1 1156655871 LWXBOCGTHNAVHZ-UHFFFAOYSA-N 419.894 1.719 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H](NC1CC1)C(F)(F)F 1161891527 WFYKOFPDSSIMEV-ABAIWWIYSA-N 418.441 1.414 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC[C@H]2C=NNC2=O)CC1 1168406226 YMBCEQJLEMQDSX-AWEZNQCLSA-N 410.434 1.651 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1179649893 BWIURIMVSUJRHK-WBHUJUFNSA-N 407.879 1.090 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 1208442969 PIFUWBHTTSHLDF-UHFFFAOYSA-N 407.492 1.393 30 10 HDEE C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCN1C(=O)c1cscn1 1275030334 SQRZRAJMUUHHDE-GOEBONIOSA-N 423.498 1.741 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCOCC1 1286304376 HZKMFTDQDISPOG-RDGPPVDQSA-N 405.543 1.428 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286347249 JAJSZYOUHZWZPI-HRCADAONSA-N 416.526 1.992 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCCC2)CC1 1286471785 QRMWVSLAFVHCSY-UHFFFAOYSA-N 413.570 1.145 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1286484997 UEUKFBCKNMCMLD-HXUWFJFHSA-N 420.517 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2Cn2cccn2)CC1 1286488621 PERFOJKWPCLEAH-UHFFFAOYSA-N 417.517 1.845 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1286618433 AXJHWONMSJGJQT-LBPRGKRZSA-N 412.903 1.547 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286950106 BTCOTXZRNQAILL-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1288997880 VDYCDBFHVMYDAU-GOSISDBHSA-N 408.506 1.940 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1288998694 FALMCJFHRLRJJM-HUUCEWRRSA-N 400.508 1.574 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291004183 CFUXLQIUUNDGHF-DMIMOZFVSA-N 424.509 1.687 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCCO1 1291278807 CJOQNKMSFWGIQQ-KSFYIVLOSA-N 424.505 1.822 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1291323070 FVAKBVBAAVAMQK-XPIZARPCSA-N 413.478 1.494 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 1293033126 SZSIUZVKHGJKCB-MXLIYFDZSA-N 402.882 1.947 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1294975609 AAJMORPTCOFVOG-LJQANCHMSA-N 420.535 1.564 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)CC1 1297800904 FHUCECMGVVYHRQ-UHFFFAOYSA-N 409.446 1.378 30 10 HDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1299563465 LXUPLIFKGHLZEK-KGLIPLIRSA-N 421.339 1.670 30 10 HDEE N#Cc1c[nH]nc1NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1299776467 YUAPPUPDIMMOOB-UHFFFAOYSA-N 401.224 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccccc1)OC 1300270817 FKWZTFFCJXZKPO-XYJFISCASA-N 419.551 1.604 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(c2ccncc2)CC1 1300428971 VZUCXDPUJFWRHL-UHFFFAOYSA-N 407.522 1.895 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCCC1 1300664784 FUHHGVJUJPDRBV-QGZVFWFLSA-N 424.567 1.963 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCC)C1 1300780499 RNTBTLNDCGSOKF-FUHIMQAGSA-N 422.599 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCNS(C)(=O)=O 1300789911 DMNMGYCWEMLQMF-QGZVFWFLSA-N 408.915 1.535 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(C)(=O)=O 1300887390 BWTFAYABEFABTL-HKUYNNGSSA-N 419.551 1.726 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301033747 NLWTVHCIDOQSBI-AWEZNQCLSA-N 416.873 1.254 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)C1CCOCC1 1301132842 MHFZKXOEUNFXEA-QGZVFWFLSA-N 414.911 1.423 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1301273670 IOAMHADXDVPNRO-UFOSLELVSA-N 400.483 1.545 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCC(=O)N1 1301809827 UGGAPFCWXHWGKN-CQSZACIVSA-N 403.512 1.279 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC)C2)cc1 1302008007 NXINLHCSZOOOHT-IBGZPJMESA-N 412.467 1.511 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CCO1 1303003499 HTBCPVFUBGOAIV-OALUTQOASA-N 415.469 1.932 30 10 HDEE CC(C)N(C)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1303274287 BRUPCPXLFJSGEX-INIZCTEOSA-N 409.542 1.872 30 10 HDEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1306776502 AGCXCQLWTPUZNX-UHFFFAOYSA-N 412.494 1.857 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c1 1312946153 MUUZXMAXZMNGEP-IBGZPJMESA-N 421.505 1.596 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N(C)C)c1 1316100827 ASIAZABAUGVMJR-SFHVURJKSA-N 411.510 1.710 30 10 HDEE CSCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1316455819 LLWWIJIAOUBFAV-HUUCEWRRSA-N 413.569 1.442 30 10 HDEE CCOC(=O)c1ccn(-c2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)n1 1323389888 GXOMXSXQDSYGLT-FMQUCBEESA-N 423.429 1.904 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1337636419 NVUPWIBBJOUIRG-WMZOPIPTSA-N 423.491 1.942 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)ccc1OC 1353366448 SANBKYRABNVJPI-NSHGMRRFSA-N 417.506 1.872 30 10 HDEE N#C[C@]1(NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCSC1 1355868387 PQUZEZGGOFELHU-OXJNMPFZSA-N 402.520 1.275 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1358870718 RRWRFYSRJUKWGV-INIZCTEOSA-N 411.510 1.154 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358967534 MESCBCTXLMUVIN-ZWKOTPCHSA-N 421.567 1.242 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1358968083 ZBMCGRLXDLWUEO-QGZVFWFLSA-N 403.508 1.079 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCC2)CC1 1359046120 FWJJRTZIPUXAPZ-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359056852 MLJVGWYTIKTTDH-SOUVJXGZSA-N 400.570 1.406 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359132527 ZQCKJFDZKDOWFU-HNNXBMFYSA-N 421.461 1.915 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359291989 GGBZDHWLNQKSAT-OALUTQOASA-N 417.602 1.699 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](OCC=C)C1 1359294114 KWPGEPMVAACJCU-KRWDZBQOSA-N 412.450 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359295626 ILVPIZPFNHDRFQ-OAHLLOKOSA-N 415.885 1.115 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1360197659 ZDWTZYDELYMAMZ-AWEZNQCLSA-N 401.515 1.461 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1360295938 SNRSMAUFBANIHV-QAPCUYQASA-N 412.494 1.460 30 10 HDEE C#C[C@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1439979552 IVDZBFVMANDGDJ-INIZCTEOSA-N 422.503 1.871 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 1451870604 RCJSIGXQYVSUBA-LRDDRELGSA-N 402.900 1.586 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1OC 1452858301 BDWJLCJBTDBNNJ-IRXDYDNUSA-N 422.478 1.607 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)n1ncc(C#N)c1N 1454247842 PKBJZGNXABHBAW-HNNXBMFYSA-N 415.251 1.968 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccc(C(F)(F)F)cn1)c1cc[nH]n1 1456200071 QQDOQDIXBMMHOY-UHFFFAOYSA-N 413.356 1.466 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)n1 1460048705 RQNSHKRSRXZRRJ-NQIIRXRSSA-N 406.527 1.725 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CS[C@@]2(c3ccc(F)cc3)CCC(=O)N12 1462273357 RIAGAOZDIBZWLU-DNVCBOLYSA-N 405.451 1.632 30 10 HDEE CN(C)c1ccc(-c2cncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)cc1 1463162270 AOIZYGLDNHVCIO-GHTZIAJQSA-N 410.499 1.825 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3COc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1463166398 ZUAWENDSHOGNKJ-OWRWGESLSA-N 411.277 1.322 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1B1OC(C)(C)C(C)(C)O1 1465292952 DUJHWXGPDSFDBD-VQIMIIECSA-N 401.360 1.658 30 10 HDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 1468538609 MNHBSDJGNMSVHC-KRWDZBQOSA-N 417.510 1.920 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1 1470253492 OCGYHJCVHRGZAI-GOSISDBHSA-N 412.534 1.973 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c3cccnc3)cc2C1=O 1471076529 TYZKDUQDUKZQLR-ZWKOTPCHSA-N 423.425 1.259 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1ccccc1F 1471897457 GIDLLWFMUQXUHS-XJKSGUPXSA-N 405.451 1.084 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 1478734223 AQLGZYHCCYVOBE-QGZVFWFLSA-N 406.552 1.884 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCC[C@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1479620963 QGNZRMBRRUMGER-CVEARBPZSA-N 402.461 1.916 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1494642739 HRIHDOGCIRFRLW-YSSFQJQWSA-N 402.499 1.184 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1503397850 GSWJDPRKRKRIAA-OXQOHEQNSA-N 422.599 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnnn1C 1507645991 OOTAOIKVPCNKMX-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCn1cccn1 1507809000 RZQHQMJEEREAEQ-XLIONFOSSA-N 413.526 1.715 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1507967629 MBESIHDSEJNTMK-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1508018961 BZBKSGDBUNAICL-UHFFFAOYSA-N 409.538 1.606 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COCCO1 1508019712 DMXUMRINZDTEOP-HNNXBMFYSA-N 403.508 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508077633 ZIOTYQKBKIVIMO-SJLPKXTDSA-N 410.522 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1508136973 XMYDYLDTHOKLGC-OAHLLOKOSA-N 422.507 1.258 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1524673080 YKBQLYMSVXNESK-CHWSQXEVSA-N 409.446 1.590 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1527797672 LFHHUQLWNIGZHI-HNNXBMFYSA-N 416.544 1.361 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1530459965 NNEQZGSEIUGWMF-UHFFFAOYSA-N 407.492 1.239 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1snnc1C 1539028980 FNVAKAJSIQLTAI-LLVKDONJSA-N 401.521 1.936 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C1CC1 1539172222 VQPZNQHKWQSJQW-OAHLLOKOSA-N 405.506 1.744 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1539195079 LNGZLUFZYRLJRA-IBGZPJMESA-N 408.506 1.645 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539220852 MEOAIUVYVPAKIS-SQNIBIBYSA-N 422.551 1.368 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC(C)(C)O)n1 1539424558 SROXMCCLCWDGCI-UHFFFAOYSA-N 409.494 1.594 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2([S@@](C)=O)CCC2)n1 1539424961 ZVTNEBMEAKHTPX-MUUNZHRXSA-N 404.540 1.370 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCC[C@H]2C)CC1 1539875700 ZLUOXTVWRNHMIF-ZRGWGRIASA-N 411.572 1.842 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2ccc(Br)cc2C#N)C1=O 1540145568 YOAZEEJSYQIFER-APPDUMDISA-N 405.252 1.771 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1541116496 PVUNECHFJAUTDL-HUUCEWRRSA-N 422.530 1.953 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1541764032 UGBLVDYKFPXTJG-MJGOQNOKSA-N 424.505 1.869 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@@](C)(C#N)C2CCCCC2)cc1OC 1543863643 KYFDETLJDPOEJZ-IBGZPJMESA-N 409.508 1.961 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1555568727 BZEIYMJEJXDQOX-IBGZPJMESA-N 418.461 1.437 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@H]3NC(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1555625095 QXFOBCIIEIZLCI-CKEIUWERSA-N 414.466 1.230 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@](O)(C3CC3)C2)CC1 1559987081 DBQNQFXLFPHRTN-IRLDBZIGSA-N 400.498 1.771 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#CCO)c2)cc1 1567097413 PJFQDGNEMKSRRY-UHFFFAOYSA-N 400.500 1.895 30 10 HDEE COC(=O)CCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@H](C)C1 1583697184 QPZBBFPQJMRIIU-CYBMUJFWSA-N 408.296 1.959 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588262770 KZAMMKLPLHLMLV-UWJYYQICSA-N 403.527 1.994 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1588751021 HVLVSFFTEAHYKQ-WIYYLYMNSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1588791114 MTJIXUVKMYCPOC-GOSISDBHSA-N 413.547 1.443 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)[C@H](C)CCC)CC1 1588801113 VMOSBXICZHDLSH-GOSISDBHSA-N 409.538 1.648 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1593746374 COZYZCFSGGGHKO-SFHVURJKSA-N 420.558 1.959 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@H](C)CC)CC1 1594014762 VTLOQBDKRCEOHL-HUUCEWRRSA-N 412.560 1.350 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)CC1 1594193955 UBRLRUDSJWRNMC-KBXCAEBGSA-N 413.544 1.096 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1 1594825356 YCVREZNKZWYNIF-SFHVURJKSA-N 418.567 1.747 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 1595476119 ICUQAKAUKIOUIA-UHFFFAOYSA-N 414.485 1.561 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](OC)C(C)(C)C1 1595784384 FDNCYAHFDURBTB-INIZCTEOSA-N 405.524 1.802 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1606803477 XZQPXWAWPTUPOE-APWZRJJASA-N 410.474 1.225 30 10 HDEE COC(=O)[C@@H]1CN[C@H]2CC[C@@H](C2)N1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1614685339 MNXJBXCYHHYPDF-FHWLQOOXSA-N 400.328 1.854 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 1615744335 RCTQFPPIBSFFAW-UHFFFAOYSA-N 407.536 1.369 30 10 HDEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617488273 WGUOKGYXRLMJRV-SGTLLEGYSA-N 419.484 1.912 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617600732 MRJUJZLBHFCRRI-UHFFFAOYSA-N 418.461 1.353 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCc1ccccc1OC 1618521917 UECLSXGMIGJQQX-QGZVFWFLSA-N 417.506 1.777 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1620351276 ZEJNLGHLDVRNMR-HZPDHXFCSA-N 416.432 1.943 30 10 HDEE C[C@@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1624771894 QEIIUGZSJWDBPC-CJNGLKHVSA-N 414.466 1.941 30 10 HDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1625121673 YXSHAIUOLPMONI-UHFFFAOYSA-N 414.487 1.428 30 10 HDEE COCCN(CC#N)C(=O)c1cc(OC)c(OC)cc1I 1625826324 KNVUHQRAJWNSIV-UHFFFAOYSA-N 404.204 1.921 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1629894215 DIVIOASVJBFFHS-IEBWSBKVSA-N 420.598 1.816 30 10 HDEE COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1631208950 RPAKAKUGSWCRTM-ZACQAIPSSA-N 424.542 1.963 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 1632218944 OUSXRFRDPCNUGU-GOSISDBHSA-N 405.451 1.558 30 10 HDEE C#CC1(O)CN(C(=O)N[C@H]2CCCN(c3ccc(Br)c(C)c3)C2=O)C1 1634029798 JVCINPINVUKFCF-HNNXBMFYSA-N 406.280 1.642 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn(C)nc2-c2cnn(C)c2)s1 1635941084 BGNDPWRQAPEEHS-UHFFFAOYSA-N 420.520 1.528 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@H](O)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1 1638813794 DFAOTQBFVZDIMY-HIFRSBDPSA-N 408.911 1.688 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(F)(F)F)C1 1642023567 OCPGMSQADVVFGX-WCQYABFASA-N 405.398 1.405 30 10 HDEE COC(=O)C1(C#N)CCN(CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 1643110171 KJOGKQZZBDUCMG-UHFFFAOYSA-N 400.479 1.631 30 10 HDEE CN(C)C[C@@]1(O)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1643208883 SXPKQLNBPVHVLF-FQEVSTJZSA-N 412.450 1.511 30 10 HDEE C[C@@H](CC(=O)NCCCN(C)c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 1643447721 FCKJTNIEDBTBJY-HNNXBMFYSA-N 415.519 1.541 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2cccc(F)c2)s1 1644976632 CXFZURODJCSAGV-SFHVURJKSA-N 412.508 1.918 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 1647922897 IUIQYCKCGKUEBL-UHFFFAOYSA-N 411.487 1.459 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)n[nH]1 1648081913 KCZUEJBWFYTDTL-QAPCUYQASA-N 412.469 1.929 30 10 HDEE C#CCC1(O)CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1648149040 UIFCEBWTRVCQFU-UHFFFAOYSA-N 419.547 1.650 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCc1cccc(C#N)c1 1659860793 BEPAQXFOYAEWOW-HNNXBMFYSA-N 412.515 1.658 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1664764179 FHBSHJZMNKQRJP-INIZCTEOSA-N 414.549 1.568 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1665745361 UUQHWZBPYNTOJG-JTQLQIEISA-N 412.327 1.458 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 1668169637 UJKJDGJHDFDALW-XLNRJJMWSA-N 417.495 1.599 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)[C@H]1CCS(=O)(=O)C1 1673188523 HBJZAPZDZDLXSS-HNNXBMFYSA-N 419.503 1.722 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1 1673820051 QWUPBQGRWDXTBG-MRXNPFEDSA-N 420.535 1.998 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1676930890 XTQRUWCAPUKRHR-AWEZNQCLSA-N 400.292 1.603 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](O)COc2ccccc2Br)nn1 1683482785 AMKFFXQYYJCVLO-CYBMUJFWSA-N 410.272 1.466 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)NCCCN(CC)CC)CC2)C1 1685265006 YQNHSAIZKNKJTN-FQEVSTJZSA-N 405.587 1.354 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)[C@H](C#N)C1 1686055680 MTJROUKIZSFNEX-FRRDWIJNSA-N 424.420 1.063 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCCS1(=O)=O 1690033215 SRIGKLPOOYMQER-MSOLQXFVSA-N 422.551 1.432 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1690066896 OQPCWQWYMGODKH-HNNXBMFYSA-N 416.913 1.948 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1690183232 QLUUCTWVICKIBU-INIZCTEOSA-N 401.540 1.173 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1690238531 KOQSWUGZAWFUMP-UGUYLWEFSA-N 413.544 1.095 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690659108 JXLNLNIBASPTQC-UHFFFAOYSA-N 403.531 1.430 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1690672270 NDBBJIWRIZEEMO-OAHLLOKOSA-N 406.531 1.882 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1690677031 LBZVTQDHONPFSL-UHFFFAOYSA-N 419.555 1.204 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[S@@](=O)C(C)(C)C)C1 1690697388 ULYGHARXQXDJDC-COEMCCDRSA-N 409.556 1.558 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1694781301 PQOUIBCWOFLQNG-IIBYNOLFSA-N 407.478 1.010 30 10 HDEE CO[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697658264 CIVAWYGHZYIDOK-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1697794872 HLTXHKNLSWAITM-INIZCTEOSA-N 404.515 1.742 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(O)CCOC1 1698117784 LJLPNHCXDMDNPQ-IIBYNOLFSA-N 415.494 1.662 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1705515823 NQICBNPIPABWGC-QGZVFWFLSA-N 400.527 1.918 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705538757 ZLQDPTWVZCILOZ-GOSISDBHSA-N 411.510 1.608 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC1CCN(CC)CC1 1705621360 YDXPNKMQSKCDJJ-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NCCC)CC1 1705637871 PGBYKMLPBDPMNH-UHFFFAOYSA-N 419.533 1.718 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N[C@H](C)CC 1705668923 XCIAXHFKAXLSHG-SPYBWZPUSA-N 424.571 1.185 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705757964 FQICSUABOXHPNU-HUUCEWRRSA-N 408.890 1.252 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(Cn2ccnn2)CC1 1705828812 ZMVHXIPUYQDMJK-UHFFFAOYSA-N 409.498 1.836 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1705836850 ICEKKDMYUGCSNK-IBGZPJMESA-N 408.524 1.758 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1711159497 MLPYBVRRTSXOFO-AMGRQBIBSA-N 416.526 1.866 30 10 HDEE CN1CCN(CCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1711282149 XHGAFDPIIYNXRB-UZLBHIALSA-N 405.522 1.598 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1712229027 XHSKRWGKWSMGJT-QGZVFWFLSA-N 410.434 1.865 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1712596610 VHTUBDYYESNHGI-GOSISDBHSA-N 408.466 1.235 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(C)(C)N1CCOCC1 1712625158 SBCQPRBVVADCRI-SQNIBIBYSA-N 420.558 1.709 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)c1 1712878461 MLRRHICLTCMGSX-OALUTQOASA-N 424.505 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722277662 OGBYDULWAICVAK-HOTGVXAUSA-N 405.524 1.734 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722318350 NXNANVTUNJZJKT-PGRDOPGGSA-N 415.538 1.978 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1722347749 NZFPRMRZRHKKDF-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1722353117 RVVQBVFSCHREIB-JXFKEZNVSA-N 402.520 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1722380544 PKCWQKWRPZERED-UHFFFAOYSA-N 417.473 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1722395651 NBWLHILWMVWMPQ-UHFFFAOYSA-N 414.535 1.499 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1722403001 KAGCOZJNTUZGOJ-UHFFFAOYSA-N 410.522 1.761 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1(CS(C)(=O)=O)CC1 1722419784 CVPFVOBKAIRKGS-UHFFFAOYSA-N 406.508 1.757 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722459170 DXBYMBCKIRSQKF-YLJYHZDGSA-N 405.568 1.449 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)C1CCCC1 1722695739 OLERVOIMIMWDHO-UHFFFAOYSA-N 421.509 1.992 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@H](C(N)=O)C1 1722725152 HJAMPFOLXSIDDP-HNNXBMFYSA-N 403.508 1.166 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1722936416 VQCPJAFEHNDAIX-UAMJFUFUSA-N 415.473 1.835 30 10 HDEE CNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1729678757 ACLQPUFXLAMUBI-UHFFFAOYSA-N 405.462 1.739 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CCO1 1731188771 IODJWFZKQOQGPU-KBPBESRZSA-N 422.898 1.006 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)noc1C 1740641371 IITHSTXFUJCYQL-UHFFFAOYSA-N 408.487 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1740645381 DVURPKMKONDUDB-AWEZNQCLSA-N 420.926 1.448 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)[C@H](C)CC 1740645880 MYXRYAREEDPPGS-GJYPPUQNSA-N 409.556 1.148 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCSC1 1740687144 SJBKSDODPJYFTB-FQEVSTJZSA-N 404.511 1.962 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OCC)CCOC1 1740966075 VWMURPGSYYOHNW-FQEVSTJZSA-N 402.499 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CCN1CCOCC1 1740987891 NZJUFBKKRNFZTG-UHFFFAOYSA-N 423.539 1.216 30 10 HDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1741400853 BBZVCIGLNRBEIC-LJQANCHMSA-N 424.505 1.537 30 10 HDEE CC(C)N1CCC(O)(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1741620233 DKNDYGIZWAOMHQ-IBGZPJMESA-N 414.489 1.412 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 1747942575 XETXLYPLXALLOE-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1748671625 LZDMREKZDHOYNQ-CABCVRRESA-N 418.519 1.704 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(=O)NC(C)C 1748750970 SECGJGOEDFKWAO-UHFFFAOYSA-N 424.553 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1cccnc1N1CCOCC1 1748948229 IZIDUQHBDBISPC-UHFFFAOYSA-N 412.538 1.942 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1749120099 AEMLJOFMNHTVSI-QAPCUYQASA-N 412.450 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749663510 IEMSFAXHAZNXCY-UHFFFAOYSA-N 410.400 1.536 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cncn2)C1 1749696022 NODDZPMETDXUAX-QGZVFWFLSA-N 410.438 1.926 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nnn(C)n2)C1 1749718548 FIKLZRZJLLJVKV-MRXNPFEDSA-N 414.445 1.349 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749751878 CYVZHMPDLXWDFG-KBPBESRZSA-N 412.585 1.856 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCCC2=O)CCO1 1750385971 FDZGOOYYLFHVEA-ROUUACIJSA-N 416.526 1.694 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1760160999 TXUMQUSQFRIHNX-UHFFFAOYSA-N 408.462 1.588 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1760228072 USTFUJOJMAQZAR-KNQAVFIVSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)C(C)(C)C)CC1 1760259956 IYHHWUYWDZKSMI-UHFFFAOYSA-N 409.538 1.566 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCCC2)CC1 1760263223 SLHOMYNTUCWHQY-UHFFFAOYSA-N 413.595 1.875 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760351642 IUYUMJYAOMMRDN-OAHLLOKOSA-N 419.486 1.278 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)n(C)c2=O)CC1 1760382637 VJTYTXPATUDOCV-OAHLLOKOSA-N 420.539 1.100 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760504289 NODFRUMGLKPUBB-KRWDZBQOSA-N 419.551 1.865 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCCn2cnnn2)C1 1760546452 OQXMICZKKYZZHG-MRXNPFEDSA-N 400.512 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C1CC1 1760554259 XEFPOFRSROMLMA-UHFFFAOYSA-N 414.491 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](OCC2CC2)C1 1760555483 GORSYSCTXIFJSM-ROUUACIJSA-N 424.567 1.778 30 10 HDEE CNC(=O)CCn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767802746 VQUNZQDPAHNSHY-UHFFFAOYSA-N 421.436 1.755 30 10 HDEE CNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1767806050 SAAXFSMSVRJBAE-UHFFFAOYSA-N 421.461 1.650 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768812434 WLSVTXLXQQRMHM-QQMHEVNUSA-N 422.489 1.944 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1769221973 KSGVMQIKOASONV-QFIPXVFZSA-N 424.505 1.585 30 10 HDEE COCCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1769706352 YTFOAFBDCSBXTE-UHFFFAOYSA-N 403.531 1.109 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1769736437 WGDMDCVWSAGWME-IAGOWNOFSA-N 413.434 1.879 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1770251056 FIAQORKCZBPYEL-UHFFFAOYSA-N 400.439 1.008 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1771029591 IVGWFGHOVNMHEL-INIZCTEOSA-N 412.494 1.822 30 10 HDEE O=C(CN1C(=O)Cn2c(cc3ccccc32)C1=O)ON1C(=O)c2ccccc2C1=O 1772791023 XCCRUSYQZYDQSU-UHFFFAOYSA-N 403.350 1.378 30 10 HDEE COc1cccc(C#CCNC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)c1 1851073124 MDKBOALQBCYVDR-UHFFFAOYSA-N 404.470 1.941 30 10 HDEE Cc1cccc(C)c1N1C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1851295283 MLGCDIPNJHOJBO-QGZVFWFLSA-N 404.474 1.667 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)c2ccc(N3CCOCC3)nn2)c1 1851423129 LLJNEJCBNVWTJM-UHFFFAOYSA-N 405.418 1.631 30 10 HDEE C=CCN(C(=O)C1CN(S(C)(=O)=O)C1)c1cc(C(F)(F)F)nc(SC)n1 1852558418 IEGSIGVICMRRCU-UHFFFAOYSA-N 410.443 1.628 30 10 HDEE N#C[C@@H]1CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CCO1 1852596684 LUVDKGRZXXMWBC-QGZVFWFLSA-N 403.435 1.772 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2c(S(C)(=O)=O)c(C)c(C)n2CCCN(C)C)CC1=O 1853335555 DAZNJAKSBRUWSE-MRXNPFEDSA-N 424.567 1.433 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccnc3O[C@H]3CCOC3)C2)CC1 1853680406 GOODCEYRTNFNFK-MSOLQXFVSA-N 412.490 1.864 30 10 HDEE COc1coc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)cc1=O 1853703307 GDNSGQAPNVBRLA-UHFFFAOYSA-N 415.833 1.852 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(C)nn2C(C)C)C1=O 1853789802 OJKMYWUWWQPZFG-SJORKVTESA-N 401.511 1.622 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCOC3)C3(CCCCC3)C2=O)CC1=O 1854104490 XQJLAPLUEJEWTE-QZTJIDSGSA-N 403.523 1.431 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CC(c4nnc5ccccn45)C3)C2=O)cc1 1854263375 SVZMZGHIYUTYFD-GOSISDBHSA-N 400.442 1.832 30 10 HDEE COc1nn(C)cc1C(=O)N1CCN(CCOc2ccc(C#N)cc2)C(C)(C)C1=O 1854498464 NCJVLGVFIIYTAX-UHFFFAOYSA-N 411.462 1.442 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cncc4ncccc34)C(=O)C2)C1 1855047148 SCUSHTUSJGRQLJ-DLBZAZTESA-N 406.490 1.681 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c1C 1855176245 IKVYZOKTUXCQBS-MSOLQXFVSA-N 411.506 1.846 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCN(C)CC34CCCC4)CCC2=O)CC1=O 1855412759 XEIYOKWPPRUKOR-MOPGFXCFSA-N 416.566 1.346 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3C[C@H](CN(C)CCC#N)CC3=O)nc12 1855724794 KPEJKPFSMTWNJF-AWEZNQCLSA-N 415.519 1.962 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)C[C@H]3CCCCO3)C2)CC1 1855858724 ZWLRWATVSDYGJM-IEBWSBKVSA-N 411.506 1.410 30 10 HDEE Cc1cccc(C(=O)N2C[C@@H](CN(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1856232431 KIBFMYJOIFOZSI-MRXNPFEDSA-N 404.474 1.466 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H](C)n2nc(-c3ccccc3)ccc2=O)C(=O)C1 1856387675 KIEWUIMQQDMGSN-IRXDYDNUSA-N 407.474 1.834 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCC[C@@H](N2CCC(CC#N)CC2)C1=O 1856521783 SXIOSHVFJUQIRX-GOSISDBHSA-N 407.478 1.634 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C(=O)C2)C1 1856867045 SRLMWJTWFDTKFH-GOSISDBHSA-N 401.511 1.024 30 10 HDEE Cc1ccccc1CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857027495 ZNTNNXILIJIYLP-LJQANCHMSA-N 417.531 1.868 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@@H]1CCN(C)C1=O 1857042868 GLCDELHZABZJHI-FUHWJXTLSA-N 418.563 1.868 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C(=O)Cc4cccs4)CC3)C2=O)cc1 1857414444 VRZVMYIJKMVYDN-LJQANCHMSA-N 422.510 1.748 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCn1ccnn1 1857444517 QJWJMGXYEQRXCX-UHFFFAOYSA-N 400.870 1.761 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1858298744 XZMYDXKLRCALDJ-OAHLLOKOSA-N 400.416 1.659 30 10 HDEE CSCC[C@H](C(=O)N=c1[nH][nH]c(CC#N)c1C#N)N1C(=O)c2ccccc2C1=O 1865987043 GQQIBSAZVIOOIO-OAHLLOKOSA-N 408.443 1.126 30 10 HDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1nc(C)c(C(=O)OCC=C)s1 1872706572 FQJJYGSGWXEEAB-UHFFFAOYSA-N 407.408 1.111 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874341332 HQORYFDOYQATHU-IXJMWADBSA-N 417.491 1.667 30 10 HDEE CCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)cc(OC)c1O 1874525055 ULTRQBCHNYFLAL-UBKPWBPPSA-N 414.285 1.777 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C2CC2)cc1 1889092730 TWPGBUKNKIHHPC-WOJBJXKFSA-N 401.532 1.524 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](Oc3ncnc(CC)c3F)C2)cs1 1891414069 FOTDYHBWRIBNEH-LLVKDONJSA-N 405.455 1.844 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 1894181726 SSMMDTUXNQHECF-LSDHHAIUSA-N 408.304 1.961 30 10 HDEE C[C@@H](C#CC(=O)O)NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1901970251 BWRQDLGZOBVXNF-AOMKIAJQSA-N 415.490 1.749 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 1982282770 FCAGRUROFWWUJA-AWEZNQCLSA-N 413.334 1.840 30 10 HDEE NC(=NO)c1cc(Br)cn(C[C@@]2(Br)CC2(F)F)c1=O 2137777475 SVWZSVSUJUFUCO-VIFPVBQESA-N 401.005 1.878 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1(C)C 2174785753 CCFYFJGFXLESJS-KBPBESRZSA-N 401.529 1.918 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217477461 XJKVMAGXRMCFQF-JKSUJKDBSA-N 419.331 1.967 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2235430282 VARQNJWHRXATMS-GJZGRUSLSA-N 401.359 1.291 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)NCCC#CBr 2244550559 SKFFZFSFEPEWCQ-SNVBAGLBSA-N 403.302 1.836 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247814104 OCPHSXCMOQARJX-STQMWFEESA-N 418.303 1.304 30 10 HDEE Cc1nn(C)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247826462 UTAIYOHJDVCADJ-OLZOCXBDSA-N 420.319 1.423 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247915013 UWNRJOHYIGJTGD-STQMWFEESA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248474101 NDSIDJMGSITZOP-ZDUSSCGKSA-N 421.303 1.595 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2267717950 LRVXADHZDXVLEB-XMMPIXPASA-N 405.372 1.237 30 10 HDEE Cc1ccc(C#CCO)cc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2278716981 VWVIDTKSQRLWHT-UHFFFAOYSA-N 412.467 1.054 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCCCS(N)(=O)=O)c2Cl)OC1(C)C 2281945182 GMQQPETTYMZMCI-UHFFFAOYSA-N 422.765 1.499 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCN[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282303946 CVBZEUDWYCMACO-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CN1C[C@@H]2C[C@H](C1)N2S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306687 QOUSKKMAYHBFGA-PHIMTYICSA-N 418.777 1.778 30 10 HDEE CN1CCC[C@]1(C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334858 HMPMQMWKWXROGR-QGZVFWFLSA-N 400.375 1.810 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1N 2282343640 RAOHZVFUDKVSNC-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE Cc1noc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282421770 SIPDJEVUYGPKKS-UHFFFAOYSA-N 419.721 1.871 30 10 HDEE CCCSCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282499821 FZPBXVAXLZBOFD-UHFFFAOYSA-N 403.379 1.449 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@@H]2C2(C)OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282553321 QQIQWQKYGMGPBR-OAHLLOKOSA-N 405.304 1.477 30 10 HDEE C[C@H]1[C@H](N)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833261 WGUJPHIRQAAKRT-NWDGAFQWSA-N 401.363 1.084 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282837536 FNPYCRIWLFMISH-WCQYABFASA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3CCCCN3)c2)OC1(C)C 2282847900 GIMQMDZJONWXDN-CQSZACIVSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCOCCN3)ccc2Cl)OC1(C)C 2282872231 SMWANHZFIBPWBD-UHFFFAOYSA-N 402.709 1.165 30 10 HDEE CCCS(=O)(=O)N[C@H](C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283929748 MVLKWUHOWXDAJF-SNVBAGLBSA-N 403.335 1.099 30 10 HDEE Cc1nc(O)sc1S(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284064628 ZQYFUIQBYFXLFD-UHFFFAOYSA-N 416.355 1.996 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1C[C@@H]1C(=O)O 2284406085 UCAWUXAJFYSKEC-AXFHLTTASA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC(F)(F)C(=O)O)s2)OC1(C)C 2284410939 XQJMELCUKYBBPV-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@]3(C(=O)O)CCOC3)c2Cl)OC1(C)C 2284449100 KOBRUMMLDSRULZ-MRXNPFEDSA-N 401.677 1.674 30 10 HDEE COC(=O)c1ccc([C@@H]2C(=C(O)c3ccc(OC)cc3)C(=O)C(=O)N2CCO)cc1 2296560826 OMMLTKZFOMCMBB-GOSISDBHSA-N 411.410 1.896 30 10 HDEE COCCN(CC#N)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316861755 WDAMSDWBKOBLQQ-UHFFFAOYSA-N 407.492 1.645 30 10 HDEE CCc1csc(C#CC(=O)[C@@H](O)c2cc(I)nn2C)n1 2363987722 MRJOZKPJJKYRDI-ZDUSSCGKSA-N 401.229 1.698 30 10 HDEE COC[C@@H](C)N=C(NN)N(C)Cc1c(Br)c(Br)nn1C 2364340144 HQJZSYFFZIQJBX-SSDOTTSWSA-N 412.130 1.231 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365210536 ISPGKNMOSRMNFW-QMTMVMCOSA-N 402.557 1.409 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245029 WZOJHWJYUFEUTQ-ACJLOTCBSA-N 405.513 1.976 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2367818593 VULYKERQLGXZIE-JKSUJKDBSA-N 402.557 1.553 30 10 HDEE CC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2370840795 BEQFKEOJPFIPIH-OCCSQVGLSA-N 401.359 1.827 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CNC(=O)OC(C)(C)C)OC 2380178217 ACMASCSCLCNVFR-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE N#Cc1cc(C#N)c(SCC(=O)N2CCN(C(=O)c3cccs3)CC2)nc1N 22111815 LVOYPOXUJSZPRC-UHFFFAOYSA-N 412.500 1.545 30 10 HDEE Cc1cccc(NC(=O)C2=C(OS(C)(=O)=O)c3ccccc3S(=O)(=O)N2C)n1 39295574 TYNBNURGBLGJBI-UHFFFAOYSA-N 423.472 1.308 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O 101767416 CAQUNYJYSMLJTO-CYBMUJFWSA-N 416.434 1.235 30 10 HDEE COc1cccc([C@@H]2[C@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CCN2C2CC2)c1 409487897 WWMBGWPYUQQZJN-IPMKNSEASA-N 406.508 1.032 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)cc1C#N 427212919 ODOBQEZBNBEVJZ-UHFFFAOYSA-N 406.489 1.845 30 10 HDEE CCOC(=O)c1csc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 432922299 LRSMYAFKUKFSJY-UHFFFAOYSA-N 420.516 1.698 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1c1nccn2cnnc12 433475580 SSMSRGHILCQHIV-GFCCVEGCSA-N 401.427 1.034 30 10 HDEE Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440239243 JANHMXPFLNMASK-GOSISDBHSA-N 421.436 2.309 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@]3(CNC(=O)C3)C2)CC1 447704654 RYADHNVDWOPCOE-NRFANRHFSA-N 409.446 1.761 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCO1 461137123 ASFWJCFVLSZMDM-HHXXYDBFSA-N 424.505 1.998 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(C(=O)c2ccccc2)CC1 465121243 MLHKJCXAHGXINS-KRWDZBQOSA-N 418.501 1.938 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1 465794480 XETBCNCKMHRPMC-UHFFFAOYSA-N 407.474 1.585 30 10 HDEE CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 467056337 FCNWKWXGSBLYSA-UHFFFAOYSA-N 413.459 1.392 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)Cc1cnccn1 471172715 LLMZTXVXERSKBS-UHFFFAOYSA-N 407.434 1.377 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(N2CCOCC2)n1 478891388 DBVWBOQDVLGICK-UHFFFAOYSA-N 403.420 1.177 30 10 HDEE COC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 482493313 FTUCXINUJWUFLV-SCLBCKFNSA-N 405.451 1.868 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 504710997 FQAKNDYDOVZLIW-UHFFFAOYSA-N 405.520 1.990 30 10 HDEE CN1CCN(C(=O)C2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 505775302 BDVQLJQQFFZBBB-NRFANRHFSA-N 406.527 1.261 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508473142 NLHAXBSNRWMGCH-ZDUSSCGKSA-N 414.491 1.651 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)nc1 531884485 UDJHAPMOHICPOX-KRWDZBQOSA-N 409.511 1.665 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 533592197 CQQHAELGEKHOJP-UHFFFAOYSA-N 408.462 1.724 30 10 HDEE CCOC(=O)CC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 534071924 GMPNKZURBJLGJY-CJNGLKHVSA-N 400.435 1.611 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546172315 MCAIAAXUICAGMT-KRWDZBQOSA-N 405.524 1.196 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2 557138303 GVYVSNDTRWKLBR-HXUWFJFHSA-N 421.519 1.741 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 578330908 QJESPLBMTZDCKL-INIZCTEOSA-N 415.454 1.572 30 10 HDEE CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 619849195 CZCGIKQAZIDDPF-MAUKXSAKSA-N 410.544 1.397 30 10 HDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccco1 670477677 PDNNBJVIIUIPBU-UHFFFAOYSA-N 405.480 1.133 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 718798459 UQADERWDAVUUPJ-LBPRGKRZSA-N 401.363 1.509 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730140226 VFYAXERQCKGUJW-HNNXBMFYSA-N 412.943 1.986 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COc1ccc(N2CCCC2=O)cc1 734291286 MBSWJQATTXYILO-UHFFFAOYSA-N 413.455 1.877 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2n[nH]cc2C1 743901289 CPUCRPWUQNGOPZ-MRXNPFEDSA-N 401.492 1.448 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 745045822 PYXSDYQDGGBCOY-CQSZACIVSA-N 400.435 1.504 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc(CC#N)cc1 750297805 PJRKHMXLIBAGFL-ZDUSSCGKSA-N 419.434 1.740 30 10 HDEE COC[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472325 WVGPHUVJVHTEKP-FQEVSTJZSA-N 422.437 1.744 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760405035 JQASSGUMYOXQII-LIRRHRJNSA-N 424.523 1.407 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)C1 761758831 BHEOXYVHYIZXKT-LEWJYISDSA-N 400.523 1.405 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)c1 766898696 FRCJNPNLEHCARH-MRXNPFEDSA-N 414.483 1.961 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@H]1CCCO1 767953426 QNLVWHKZGPXZIO-MRXNPFEDSA-N 413.499 1.104 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771541458 HEYGVXFRRJZRMM-MRXNPFEDSA-N 423.502 1.034 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 774856013 CUCCSVAZPYPCLX-BKJYESAMSA-N 421.498 1.600 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780856777 YPDQBXZZAJEJJU-NRFANRHFSA-N 408.458 1.525 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)n1 788695395 LGDOYBHDUWAOGK-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 788820967 VPBLGYSOGNBSSD-GOSISDBHSA-N 420.510 1.517 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C\c2cocn2)C(=O)/C(=C/c2cocn2)C1 790216292 QNVYLNMFQWLCQP-NPJRDEIVSA-N 415.431 1.743 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2cocn2)C1=O 790759145 QHYDUXKMVOUWFY-CQSZACIVSA-N 407.521 1.936 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NCC#CCN[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)C1 792880012 NODVUJSGPQXFCQ-LWYYNNOASA-N 422.570 1.903 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 793412910 LXWQECCKYSLNLD-WCQYABFASA-N 400.298 1.737 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 800787662 KVBJWCMPIOPBEN-MRXNPFEDSA-N 412.450 1.531 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 802603323 KFGYPQIFCGRTAF-AWEZNQCLSA-N 417.432 1.837 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191678 DSSWGLJCQQXNRZ-UHFFFAOYSA-N 424.939 1.846 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3cc(C#N)ccn3)CC2)cc1 816640577 OILRRFIPOSXGCD-UHFFFAOYSA-N 418.500 1.574 30 10 HDEE COc1cc(CN/C(=N/CCCN2CCOCC2)NC(C)(C)C)cc(OC)c1O 912505642 BPWQMKKIKZFRGQ-UHFFFAOYSA-N 408.543 1.965 30 10 HDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1116067038 DULDSKNYTWYRIM-MVZUJROASA-N 402.495 1.400 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCN(C4CCC4)C3=O)CC2=O)cc1Cl 1132028044 ODYLWSDEONTMIT-GUYCJALGSA-N 400.866 1.834 30 10 HDEE C[C@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)N1C(=O)NC2(CCCC2)C1=O 1132575640 IEULJLAEPANHQI-CQSZACIVSA-N 406.446 1.995 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1135877511 NAKCVQKLQOBGQA-UHFFFAOYSA-N 411.524 1.045 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCc3ccco3)C2)C1 1136284881 GOUWZNOSQHDYMR-DBWCEAHUSA-N 416.478 1.799 30 10 HDEE C#CCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cn1 1139861180 PYALROVXLBYPOV-UHFFFAOYSA-N 403.460 1.158 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)c1 1141949700 GAPZPUAEQVPUGP-UHFFFAOYSA-N 403.391 1.434 30 10 HDEE C=CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1146894717 CPBFWYIXQGZUAV-OAHLLOKOSA-N 404.488 1.841 30 10 HDEE CON(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H](C)C(=O)OC(C)(C)C 1152143025 WNOCZGXHNZSULW-ZDUSSCGKSA-N 411.480 1.612 30 10 HDEE CNC(=O)N(C)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1153547708 FDXKVZGRMWUYFO-UHFFFAOYSA-N 415.475 1.530 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1158010716 ZNPDWOYFCAQIMJ-SJORKVTESA-N 404.488 1.526 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCCC1 1164479955 MXQVNBKTALXNHN-MRXNPFEDSA-N 421.519 1.428 30 10 HDEE C=CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1165745163 SVFVTASWYQVERN-SFHVURJKSA-N 419.547 1.968 30 10 HDEE N#Cc1cc2c(n(CC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c1=O)CCC2 1166891181 IKODNRCFRXVUBK-UHFFFAOYSA-N 407.430 1.466 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1168357567 AURUTRUGPQMTPN-UHFFFAOYSA-N 420.517 1.890 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CC(Nc2cccc(C#N)c2)C1 1168642620 LJYPJGRHSYCGQL-UHFFFAOYSA-N 422.489 1.454 30 10 HDEE COc1ccc([C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CCO2)cc1OC 1176946262 PBYQPUHUUDFPFC-IBGZPJMESA-N 417.487 1.818 30 10 HDEE C=CC[C@]1(C(=O)N(C)Cc2nnc3n2CCNC3=O)CCCN1C(=O)OC(C)(C)C 1177894265 OIELEAKPASIKLK-HXUWFJFHSA-N 418.498 1.326 30 10 HDEE C=CCN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@H](C)COC 1221821740 UDQDAXDQMDPGDI-QZTJIDSGSA-N 418.542 1.515 30 10 HDEE COCCOC1(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOCC1 1228684578 ZUCDSSQDJDSMBE-HXUWFJFHSA-N 416.522 1.618 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1 1264600837 FCGXLZBTWOMTGC-UHFFFAOYSA-N 415.247 1.466 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)nn1 1267906134 YFFSDFVFWTVZEG-UHFFFAOYSA-N 401.467 1.842 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1286387221 OWILUHTXXWLXCO-MRXNPFEDSA-N 424.473 1.854 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1286768699 DJGLBDHORRGNLL-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC=C(C)CC2)nnc1[C@]1(OCC)CCOC1 1286825033 LATOFZHWVVDQTR-IBGZPJMESA-N 410.540 1.687 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(OCCOC)CC2)nnc1C(C)(C)C 1286825832 YGDCDHZEKHVTNP-UHFFFAOYSA-N 414.572 1.808 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286968056 IUFUCMBVGWFOJX-JEWRLFTDSA-N 423.539 1.114 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1287137251 YFXGSXNEPDIUTR-SJORKVTESA-N 424.461 1.703 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1cccc(Cl)c1 1289206784 QHRKRLWQRJNIRL-KOJWFEOWSA-N 421.906 1.256 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(Br)cc2-n2cnnn2)C1=O 1297062557 RNRZQROMPWOBEY-ZDUSSCGKSA-N 405.256 1.284 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OCC 1300274894 ZUTCGOONEJVPDF-HZPDHXFCSA-N 419.551 1.988 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1C 1300277322 ZMOBXACKQQCDPT-ZDUSSCGKSA-N 411.466 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300295977 PRBRHICOISNDKA-HKUYNNGSSA-N 411.554 1.684 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300487186 HOPBTLXZFVMBED-QGZVFWFLSA-N 416.551 1.384 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1300800241 OOMCEOWUWDJPBJ-OXQOHEQNSA-N 414.535 1.756 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300879745 FLILXWCRQDOOSE-SQNIBIBYSA-N 417.535 1.945 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1300971579 CUUNNOUIFQIAQT-KBPBESRZSA-N 403.574 1.423 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301227873 WWNOVQHSHACISV-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1301452421 MKXJLAUMKFSMMV-KRWDZBQOSA-N 412.469 1.907 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1301491183 MNKWNAMTYMQBSJ-FQEVSTJZSA-N 410.482 1.061 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCCC[C@H]2C1 1301492554 JZICDMCMPKGDHF-INIZCTEOSA-N 415.929 1.970 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CCC2)C1 1301566022 JAHAQMZFRMBMJM-GUNSETOZSA-N 421.567 1.483 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C)[C@@H](C(C)C)C1 1302601107 UEXUQUWDYJAOPD-QZTJIDSGSA-N 420.579 1.938 30 10 HDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1303200152 BORTYQINUGVPHI-UHFFFAOYSA-N 400.288 1.958 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N(Cc2ccccc2)c2ccccc2)c1=O 1307372684 XKTSVGBJXZUIRE-UHFFFAOYSA-N 404.426 1.107 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1 1311903061 MPVMJBMUTUPDJC-QGZVFWFLSA-N 401.511 1.994 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1315953908 YYUHKTMWJMXSKL-QGTPRVQTSA-N 417.466 1.367 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)C1 1316527503 MEIZRDAESCQOTB-QGZVFWFLSA-N 406.849 1.977 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1337651464 YSDCMHOTJNDLCK-INIZCTEOSA-N 414.549 1.827 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1358894936 ZQLUVBCANFCVEE-UKRRQHHQSA-N 407.565 1.917 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358934655 JDKJKLLVHZVVEP-UHFFFAOYSA-N 424.549 1.789 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1358955683 QXMLMJMGDXZBJI-IRXDYDNUSA-N 422.551 1.571 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1359009613 USXXGLHDHPERCN-NQIIRXRSSA-N 419.595 1.840 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359132528 ZQCKJFDZKDOWFU-OAHLLOKOSA-N 421.461 1.915 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359148102 DPKRCPPNHGXCBY-AWEZNQCLSA-N 418.889 1.198 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359153722 PNDZXQCHTAHRGJ-CQSZACIVSA-N 407.931 1.942 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359228067 SPUZTHMVTQGUCF-GVDBMIGSSA-N 412.556 1.777 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1359295675 KKUNVLRAZFEGRJ-UHFFFAOYSA-N 402.886 1.569 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H](COC)C1 1359330612 XKDKHZIJQFCMJQ-MRXNPFEDSA-N 407.540 1.747 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1F 1360480508 AZVMYXGPSFICDZ-CQSZACIVSA-N 401.446 1.752 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1456481237 XCDCYYNLNGHGFL-UHFFFAOYSA-N 408.461 1.855 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(CCO)(CCO)CC3)C2=O)cc1 1469765558 WKVULWZRWMTACC-LJQANCHMSA-N 414.506 1.610 30 10 HDEE C#CCN1CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1470908745 PIBDIKRWUJZARC-UHFFFAOYSA-N 417.307 1.297 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)C2=O)cc1 1472554830 GYDTVTGVVFJRJE-GBESFXJTSA-N 413.474 1.476 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1473706678 BIHATODVOPIRTB-QTJFZDIUSA-N 400.504 1.861 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(NS(C)(=O)=O)c1 1476208289 OGOMFHZHXREHQE-UHFFFAOYSA-N 411.480 1.876 30 10 HDEE C#CCN(C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1479290733 DXCOCDKNXNTWOQ-HNNXBMFYSA-N 401.529 1.464 30 10 HDEE Cc1nnc(CCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)s1 1492767491 TZEMLENVFZUMOP-INIZCTEOSA-N 410.507 1.785 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1503213263 FJPDZPDNFFEBFZ-PKOBYXMFSA-N 424.505 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1507520769 QUXUOCKPLUZKQS-YVEFUNNKSA-N 408.300 1.655 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507590167 AKNSKPNGMNESSE-INIZCTEOSA-N 416.432 1.996 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1507612510 WHJAJNWLDGXNIN-PKOBYXMFSA-N 404.478 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1507711189 PVFYWGHLUCHWFB-KRWDZBQOSA-N 424.567 1.352 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCn2ccnc2C)CC1 1507726722 LAOMRNVDINDARL-UHFFFAOYSA-N 424.553 1.141 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507745299 WYGIXGBIOUKMGP-INIZCTEOSA-N 420.560 1.943 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507848742 RJNFJEXNSCQPKS-KDURUIRLSA-N 411.462 1.883 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507966438 RHZHSTLYVKFRRV-FQEVSTJZSA-N 407.515 1.190 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1508036482 PFYZTIJVGRJSBT-UHFFFAOYSA-N 420.558 1.264 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CCC)C1 1508137749 QTNFMAHNBGIIGI-INIZCTEOSA-N 405.524 1.946 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1516129672 HWSOZBWSLBLKPM-DNVCBOLYSA-N 402.503 1.287 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2ccc(Br)cc2=O)c1 1516762583 SAHSNDJZBHOFKR-UHFFFAOYSA-N 402.248 1.689 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1518731280 UIPDSQBCDBRRNW-UWJYYQICSA-N 410.478 1.195 30 10 HDEE C=CCOCCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1529053602 FWQUUKLYJGOWDP-OAHLLOKOSA-N 408.476 1.333 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1nn(C)cc1C#N)n2C 1533607789 HCYGOCLSYKGLGD-UHFFFAOYSA-N 415.479 1.000 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 1534421928 LJLLVPRENNXMAA-SFHVURJKSA-N 407.445 1.953 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1535722836 ZNBHTMFTGFNRFL-IRXDYDNUSA-N 403.504 1.456 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(C)=O)c1 1539231446 SGJKDDQSWAXEAF-UHFFFAOYSA-N 404.474 1.594 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2ccnc2C)CC1 1539436635 XVEBFAHTXPBFKG-UHFFFAOYSA-N 410.913 1.954 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539513726 QQVVXRZBIONKSV-MRXNPFEDSA-N 415.567 1.788 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)C1=O 1540090098 RLTCFMGZFZAJPD-KRWDZBQOSA-N 406.442 1.501 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CCS(=O)(=O)CC 1540868287 ZBUXVVDWUGYAMX-UHFFFAOYSA-N 409.487 1.257 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)C1 1540893077 WNBNDFTZVIHZCZ-BZUAXINKSA-N 412.581 1.857 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540922313 KJEWGVVYYBFSFT-CQSZACIVSA-N 420.539 1.569 30 10 HDEE Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1542786327 GFZWQNCOTOBJIF-BEFAXECRSA-N 417.539 1.770 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCc1n[nH]c(C)n1 1555631960 HTQYXWCKWCFNGO-CQSZACIVSA-N 402.503 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CC1 1555640518 TVBWBUKTFFSUFT-CYBMUJFWSA-N 414.466 1.062 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1562149768 MDKJUOBYIBIZRK-MRXNPFEDSA-N 420.535 1.793 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2sc(SCC(C)C)nc2C)CC1 1568701891 YEKZOFRFYSHGOC-UHFFFAOYSA-N 408.593 1.636 30 10 HDEE CN(C)C(=O)[C@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1570318674 WIZOUQPUANKRJR-HNNXBMFYSA-N 410.434 1.922 30 10 HDEE Cn1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c(I)n1 1585476810 PQIHJZNRBVTTQV-UHFFFAOYSA-N 401.204 1.503 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccnc1-n1cccn1 1588149510 VDZVQXJQHBNUTM-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1588271716 NUIAGJLLKISLAM-DENIHFKCSA-N 419.570 1.891 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588733470 UQPVNTKPIXFFSS-MOPGFXCFSA-N 414.554 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccn(CC)c2=O)CC1 1588813774 ZYNAJHLLZJDZTP-IBGZPJMESA-N 410.522 1.157 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2c(C)nn(C)c2C)CC1 1588848322 CREJIHXMARQJEX-UHFFFAOYSA-N 404.522 1.418 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589547213 SVVQFOYTQFARKF-XLSPSMHOSA-N 406.527 1.818 30 10 HDEE C=CCCC[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OC 1596245257 WWVDIXBOJYMGNK-QMMMGPOBSA-N 424.093 1.817 30 10 HDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)NCc1ccccc1 1597565653 PJIYHOFYUYTEMO-ZDUSSCGKSA-N 403.435 1.558 30 10 HDEE CC(C)OCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1611003302 JABYFMQQSXHAHD-OAHLLOKOSA-N 412.560 1.833 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cccc(OCc4cccnc4)c3)C[C@H]1CS(=O)(=O)C2 1616336536 PQIOLKDDNVPKAC-GHTZIAJQSA-N 411.483 1.600 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1617734576 CSZLRQPRLDZGNF-GOSISDBHSA-N 413.503 1.787 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1617824353 XLRNSQOSKVFSSN-VDMFXUGISA-N 415.498 1.238 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCc2ccco2)cn1 1618384333 OUKQAJXFEOXSHY-UHFFFAOYSA-N 408.466 1.718 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1618825985 SBKCNSLIDNNJGL-LSDHHAIUSA-N 408.476 1.481 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1619911403 SIBKOWGDORPALM-OAQYLSRUSA-N 409.494 1.717 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](Cn3ccnn3)C2)n(-c2ccccc2)c1C 1620436441 WOJZSYSEENTRKQ-IBGZPJMESA-N 419.489 1.897 30 10 HDEE C#CCN(CC(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)OC(C)(C)C 1623847615 MSCGVIJRVSBORJ-UHFFFAOYSA-N 400.435 1.547 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1[C@H](O)c1ccccn1)c1cc[nH]n1 1626811685 TXKWPDJPQJWJPB-FQEVSTJZSA-N 423.429 1.809 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C#N 1627867741 TUQSTHGGKNNSHP-QZTJIDSGSA-N 402.495 1.763 30 10 HDEE CN1CCC(C#N)(NC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1628127132 WVJFWQFIJYBAGT-FQEVSTJZSA-N 405.499 1.637 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1629695246 FAJOWDSMHNPJCP-GFCCVEGCSA-N 414.890 1.565 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4CCOC[C@H]4C3)C2)C1 1632568532 PJXJQNREAXFBMO-JWRWLIQVSA-N 404.511 1.316 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 1632880019 CEBLOSJTSDRXNO-MYXCPXAOSA-N 400.410 1.211 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](CO)c2ccc(OC)cc2)s1 1632895160 RYNPCFPPOLGYAA-QGZVFWFLSA-N 424.544 1.956 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1)C(=O)OC 1634063394 JKVNLVCQMOCPRV-BRWVUGGUSA-N 408.426 1.596 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1634109391 ZZVKVJZZFBHDJN-NWDGAFQWSA-N 409.516 1.187 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3cccc(C(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1635561307 IIIIIGXVULIYSO-NHYWBVRUSA-N 402.398 1.223 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3ncccc3F)C2)c1 1635603325 FPGUPVBPDYCXGG-GFCCVEGCSA-N 406.414 1.666 30 10 HDEE COC[C@@]1(C(=O)NCc2ccc(C#N)c(F)c2)CN(C(=O)OC(C)(C)C)CCO1 1638048053 FCNLYNJINFJVFT-HXUWFJFHSA-N 407.442 1.966 30 10 HDEE CSc1ccc2cc(Cn3c(=O)c(C#N)cn(CCO)c3=O)c(Cl)nc2c1 1641282751 TVFIDJJGSPPNLP-UHFFFAOYSA-N 402.863 1.846 30 10 HDEE CS(=O)(=O)CC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1641343656 HCTFAAVBJJLQHD-UHFFFAOYSA-N 402.469 1.020 30 10 HDEE O=C1C(=O)N(Cc2ccccc2)C(=O)N1CC#CCN1C(=O)c2ccccc2C1=O 1643491864 UWMYRECSUWPXKR-UHFFFAOYSA-N 401.378 1.277 30 10 HDEE CO[C@@]1(C(F)(F)F)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1643571986 JFGJDUSRDBFNCZ-NHYWBVRUSA-N 405.398 1.405 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 1644198530 FXMAEMDMTHTPIG-APWZRJJASA-N 405.476 1.355 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 1644604751 XITBHQRQXRZLLA-LJQANCHMSA-N 401.488 1.824 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@@](C)(C#N)C2)(n2cccn2)CC1 1647991734 UZWLVRPMZJXKCM-IBGZPJMESA-N 403.483 1.750 30 10 HDEE COC(=O)[C@@H]1CSCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1655605289 WHFAXMIGIVUURA-HNNXBMFYSA-N 400.422 1.764 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1656233813 FWANSVQRWJAYIY-VIFPVBQESA-N 408.245 1.691 30 10 HDEE COc1cc(OC)c(CNC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)c(OC)c1 1659322176 LXWICQJEBHUBKH-LJQANCHMSA-N 413.474 1.866 30 10 HDEE C#CCN(CC(=O)N=[S@@](C)(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1660151412 BFFSFZQZGWOPQJ-HHHXNRCGSA-N 400.545 1.422 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)cc1 1663693539 VICYEHBGUIXRSC-UHFFFAOYSA-N 402.541 1.711 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1668852641 VXMBARILJZVWGC-KBPBESRZSA-N 406.501 1.050 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc([C@@H]3C[C@H]4CC[C@H]3C4)cs2)CC1 1670723374 QBGJAFIUHINWNR-SOUVJXGZSA-N 423.564 1.664 30 10 HDEE COc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1C#N 1675570841 HCPTWUADZPYHLX-IAGOWNOFSA-N 406.508 1.759 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1(=O)=O 1680025274 YCBDEUZSAWXWKZ-KMFMINBZSA-N 404.492 1.319 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc2n1 1680698527 QEFGGOYGXNQFLI-UHFFFAOYSA-N 424.461 1.047 30 10 HDEE C=CCN(C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@H](C)COC 1684330596 OOPLDRQYIZYZNX-QGZVFWFLSA-N 424.567 1.355 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)O2)[C@@H]1C 1685277362 REGZFSZRSJXELA-OVNJDOEUSA-N 414.510 1.541 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CO1 1687766164 YLYOHLDKJJGDRO-SFHVURJKSA-N 415.494 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1689824374 NZGSGLYVUDHBMR-HTAPYJJXSA-N 410.522 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1689826596 RBPIBUMCYLRDEH-YNEHKIRRSA-N 401.483 1.782 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689885619 OQWQMWSFJISUTD-UHFFFAOYSA-N 412.542 1.129 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1689912769 AJTJQWJSVGKEGM-HNNXBMFYSA-N 422.580 1.690 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1689947627 JJQUZIPMRPNMCD-HXUWFJFHSA-N 417.535 1.880 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)C1CCC1)[C@@H]1CCS(=O)(=O)C1 1689979633 FLORYJHIPCBGHW-QGZVFWFLSA-N 421.567 1.335 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689987792 CIWHMBLKBWGIFK-QGZVFWFLSA-N 418.567 1.632 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1689990185 MLQNUIRONFJUMH-INIZCTEOSA-N 407.540 1.041 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1cccc(OC)c1 1689998192 DYFIHMGOTCVTSJ-QGZVFWFLSA-N 409.490 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690019895 UHGWDDAAQGRYGV-LJQANCHMSA-N 421.501 1.370 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1690041977 PCUQCWVSLZWKQE-UHFFFAOYSA-N 414.469 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc([C@H](C)O)cc1 1690052098 ADSAPVVTXGISME-SFHVURJKSA-N 405.502 1.965 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)CCOC)CC1 1690142138 JBCKEBYNWPUMDW-OAQYLSRUSA-N 414.510 1.027 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1690309684 HLERFSRYBMGOGZ-CALCHBBNSA-N 419.482 1.449 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC2(CCC2)C[C@H]1CC 1690671411 VLWMCAJJSFVMGV-JKSUJKDBSA-N 421.567 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(C(N)=O)CCOCC2)C1 1690694460 ORJRGNTZLLXOLL-MRXNPFEDSA-N 414.510 1.347 30 10 HDEE C=CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1690748708 DWSAXZIRUHELGM-KRWDZBQOSA-N 419.526 1.878 30 10 HDEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695175904 PUSFUBYYRZFHCH-ZBFHGGJFSA-N 409.560 1.255 30 10 HDEE CCOCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1696260700 UFJUTYNDDGTAMJ-DNZUHHBVSA-N 418.498 1.345 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1698021913 AGGHZVRNTKAHJB-LJQANCHMSA-N 403.508 1.679 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1705564750 PVGDATPVVOOQNV-INIZCTEOSA-N 417.560 1.886 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1705566703 PNIQKASWQZSSED-LSDHHAIUSA-N 416.494 1.844 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1705570981 TXQOQJGMWJSBIG-INIZCTEOSA-N 418.519 1.533 30 10 HDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1705741833 APLYECJBBJWQGL-GOSISDBHSA-N 424.505 1.238 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705816334 BSAAJCMUZQTFRT-INIZCTEOSA-N 421.571 1.753 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1705894596 DMPCZPXVPFRGPF-HXUWFJFHSA-N 408.466 1.358 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1705900273 XGMWQHWOTAEIOI-UHFFFAOYSA-N 407.482 1.150 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C=C)CC1 1705907289 HCELRSRUSDROIN-UHFFFAOYSA-N 414.535 1.974 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705936927 BKNHOGYOLOBESW-HXUWFJFHSA-N 424.567 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](COC)C1 1705937038 GROUHGNLLDTGLM-QGZVFWFLSA-N 405.524 1.337 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1nnc2n1CCC2 1712522029 OLXSDPJHFXAKOW-AWEZNQCLSA-N 400.487 1.328 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1722307507 XSXFHNOIUFQSNB-UHFFFAOYSA-N 414.489 1.476 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1722323141 RGKKZRXJMMACGA-UTKZUKDTSA-N 416.526 1.290 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722325718 BMQVJZQQRNDYQU-OAHLLOKOSA-N 410.478 1.950 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C)COC2)CC1 1722447047 CEKMDDOTKZULPG-QGZVFWFLSA-N 401.511 1.522 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)on2)CC1 1722566658 WOLCXGHEFAJULN-INIZCTEOSA-N 422.511 1.112 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722682547 ROAMYPYFFXBXMK-ZDUSSCGKSA-N 420.315 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722696333 JFKXUOWSHVHDBC-UHFFFAOYSA-N 421.505 1.582 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722730388 QIUSUGPUKZWABA-HXUWFJFHSA-N 421.567 1.328 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CC3)C2)nnc1[C@]1(OCC)CCOC1 1722731489 MDCORIRRFBJDLE-PXNSSMCTSA-N 424.567 1.767 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](C)N(C)C)CC2)c1C#N 1725860531 FDGVTQMTECNYAZ-OAHLLOKOSA-N 413.574 1.766 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1728696583 ABFAAYAALFKIQU-UHFFFAOYSA-N 421.465 1.272 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740544887 LIUYYGJWRBQSBJ-WBVHZDCISA-N 420.525 1.637 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1740591583 PGSBOXUIMZHKOF-IRXDYDNUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCOC1=O 1740651083 YFJIOTYSTIMXSH-UHFFFAOYSA-N 421.457 1.979 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccccc2C)CC1 1740695020 ABRLXGYGLBJUAO-UHFFFAOYSA-N 403.490 1.878 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCCC2)CC1 1740698260 CEXZAIZHLHHIEN-UHFFFAOYSA-N 413.570 1.030 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCN(C)Cc2ccc(F)cc2)CC1 1740700048 DIXHQJUDSDFYFD-UHFFFAOYSA-N 414.529 1.841 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1740744589 CCLPRDFXERNLAE-LBPRGKRZSA-N 419.345 1.704 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740835764 ONARYQDNAFJCPB-IBGZPJMESA-N 406.508 1.799 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)C(C)(C)C1 1740951025 AOTCSUCESVBJBT-AWEZNQCLSA-N 413.482 1.089 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1740978010 MVJONPBAVZQBNI-SIKLNZKXSA-N 413.522 1.802 30 10 HDEE Cc1ccoc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1742082007 AWAJSSCKEOIKTO-AWEZNQCLSA-N 412.475 1.948 30 10 HDEE CCc1noc(C)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1744746080 ZSCVNHTUJTUXAT-DAYGRLMNSA-N 416.482 1.638 30 10 HDEE CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1745066754 NHSNPTKWGHYRSA-SCYHOBCLSA-N 416.482 1.271 30 10 HDEE CN1CC[C@](O)(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1748053540 DDKVCDYVYIGCKL-HSZRJFAPSA-N 417.517 1.839 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1748254535 MGJOBHDYDURFCO-KRWDZBQOSA-N 418.505 1.848 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1=O 1748875936 ZSJAUMWHLVFBNR-ICSRJNTNSA-N 413.522 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1748890150 JYIYITRBXPYCBH-ZWKOTPCHSA-N 419.551 1.059 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1748912718 HORWZMXRRMELKL-NRFANRHFSA-N 422.493 1.414 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCCn2cc(Br)cn2)CC1 1748991462 XTBBFMHWCZRUTE-UHFFFAOYSA-N 418.343 1.960 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749232323 JZKAMSNLUDJODX-KRWDZBQOSA-N 423.521 1.776 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCS(C)(=O)=O 1749484641 DODBEEWTNSGENS-UHFFFAOYSA-N 416.507 1.249 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2ccco2)C1 1749670123 ROGSCQRQWDHTCT-RDJZCZTQSA-N 401.467 1.645 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1749831706 GEANLMRKPMITHI-UHFFFAOYSA-N 405.466 1.052 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760160488 DVQURQQDRALBSX-QGZVFWFLSA-N 422.537 1.532 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1760170644 KNYPRQMVHGKSEH-LJQANCHMSA-N 418.523 1.113 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760172119 MWDSBXSZBZCGPM-NHCUHLMSSA-N 409.534 1.856 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCc2ccccc21 1760217398 ABQLWBYGQSGWDJ-CVDCTZTESA-N 403.486 1.526 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(COC)c2)CC1 1760259714 GGQQIQCDQQYUTO-IBGZPJMESA-N 408.506 1.179 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CC1 1760262048 GYXZHXGQXGIPIL-GOSISDBHSA-N 412.925 1.556 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1 1760310499 HNNKBWSWSALDSY-UHFFFAOYSA-N 408.304 1.679 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1760525389 DHKLXPWAGXCTKT-OAHLLOKOSA-N 421.505 1.319 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1760528168 UJXLXZGLWSLFCO-KRWDZBQOSA-N 401.515 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1760548192 ACOQYAKPRXXSDH-MRXNPFEDSA-N 411.572 1.887 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOC1CCCCCC1 1761237869 CWCMIHCQFUFPDG-QGZVFWFLSA-N 404.515 1.884 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1Cc1ccc(C#N)o1 1761878382 QTXLTDUTTZYDBX-CQSZACIVSA-N 408.466 1.891 30 10 HDEE CC/C=C\Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765342773 OIFBWGIJCSSPKC-CWIOURORSA-N 406.494 1.789 30 10 HDEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCCC1 1769320833 DUDHQZJRTUGSBC-KRWDZBQOSA-N 416.526 1.840 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1770788775 PWTVHUBCVIKTPR-QGZVFWFLSA-N 423.452 1.458 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 1772786107 PIFACFCIQQZMIU-CYBMUJFWSA-N 406.441 1.656 30 10 HDEE C[C@H]1C[C@@H]2[C@@H]3CC(=O)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1848437861 NBDQTCDZBJJKSK-WBFWHHICSA-N 406.450 1.075 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@@H]1C 1854332011 RXZCWIDKQVFZDK-HOCLYGCPSA-N 424.523 1.080 30 10 HDEE COc1cccc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)CC3=O)cc2)c1 1854461261 PCNPOCFQDGHPLY-UHFFFAOYSA-N 413.455 1.500 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1=O 1854742125 UTKKOALSSISCKE-INIZCTEOSA-N 400.504 1.997 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CCOC3)C2=O)CC1 1855592102 BASYUFOYNYTTOP-MOPGFXCFSA-N 412.490 1.598 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855860641 UTTHRULYFADWFV-SFHVURJKSA-N 417.531 1.633 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc3n(n2)CCCO3)CCN1CCOc1ccc(C#N)cc1 1855944929 WWJBWGROMVEODP-HNNXBMFYSA-N 409.446 1.289 30 10 HDEE C[C@@H]1CN(CCCC#N)c2ccccc2N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1=O 1856033798 DPHDMXLJZCYVMN-QAPCUYQASA-N 418.519 1.730 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(CCCC#N)C2(CCCCC2)C1=O 1856522112 QNMNJQFCAKGUKB-MRXNPFEDSA-N 410.540 1.088 30 10 HDEE Cc1ccc(CC(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 1857073800 VJDQPHFVEDAAKX-HXUWFJFHSA-N 403.486 1.754 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1860731025 SQBGGWRVJDYCEZ-IZZDOVSWSA-N 417.399 1.641 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc([N+](=O)[O-])c2)[C@H]1c1ccc(O)c(O)c1 1862741504 UHUNKRLBKVQBLD-BMLIUANNSA-N 414.370 1.965 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868794222 ABLRXHRJWHSBIA-IRXDYDNUSA-N 404.536 1.778 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870144028 LGLWVAXFRKIEST-UHFFFAOYSA-N 402.370 1.382 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N[C@H](C(=O)O)C(C)(C)S 1882714016 QRNQAJWDIIRKOJ-GXSJLCMTSA-N 403.526 1.857 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CN(S(C)(=O)=O)C3)cc21 1890787939 ODTUHVKBTOSGKD-UHFFFAOYSA-N 407.492 1.454 30 10 HDEE C#CCN(C)C1CN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1989115339 LAGXJGLWPXQNFI-UHFFFAOYSA-N 414.550 1.789 30 10 HDEE COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174785237 WSPIGPUYXBHTDK-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@H]1NC(=O)OC(C)(C)C 2174787437 UCVQTSIAJBFMRL-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE C#CCn1ncc(NCCn2cc(Br)nn2)c(Br)c1=O 2192982880 CRQXSGJOUVKBLU-UHFFFAOYSA-N 402.050 1.105 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CNS(=O)(=O)N1CC[C@@H](C#N)C1 2194714990 QDBNOGROYQQKFH-KBPBESRZSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@H](C(=O)O)C(C)(C)S)=NO2)C1 2195311713 ZRJQARDQWPDAFP-DIFFPNOSSA-N 401.485 1.420 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2243424676 VTBRCPPHBHFIKM-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243714657 NBEJAIPWRNWJOS-GJZGRUSLSA-N 408.304 1.498 30 10 HDEE Cc1c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247781699 QYMPGZQBZHAHAW-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CC1(C)OB(C#CC(=O)N2C[C@H](CNC(=O)C(F)(F)F)C3(CCC3)C2)OC1(C)C 2247801650 FKZKZPURPXPGFM-ZDUSSCGKSA-N 414.233 1.928 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)nn1 2251299314 QBWQDSWPWPLMNL-CMDGGOBGSA-N 421.307 1.720 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2255947608 BNQANPVTABPLOM-LBPRGKRZSA-N 415.342 1.431 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CS1 2267411079 SYMFAOTVWAXPNV-MNOVXSKESA-N 404.388 1.756 30 10 HDEE CC[C@@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CCNC1 2282307951 KKKXUTNPLBTQGM-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE CO[C@@H]1CC(=O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282320007 BWOXFVJQPPYSHU-LLVKDONJSA-N 401.315 1.292 30 10 HDEE C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329028 GZDNSHINMQIPFU-STQMWFEESA-N 400.375 1.760 30 10 HDEE C[C@H]1CN(C)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331125 JVFMLPPFERJWAY-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340327 DQZRPOKZMJFXBU-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CN1CCC(N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282423428 OHVYHIFKPUAZDJ-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC4(CNC4)C3)cc2Cl)OC1(C)C 2282423920 VHJQMKINHOQGLX-UHFFFAOYSA-N 418.777 1.685 30 10 HDEE CSC[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282498396 CSQPLQHFXXDDGF-HAQNSBGRSA-N 401.363 1.139 30 10 HDEE C[C@H]1CNC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282501260 VENKVOGYHJIRPG-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512529 UDPVMDVYUGQNNP-JPQMIFPKSA-N 421.777 1.685 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282533213 INTUDXINWDPRKM-ZDUSSCGKSA-N 417.383 1.607 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H]2C2OCCO2)c1 2282555111 NUFLOFCVFRWVFZ-KRWDZBQOSA-N 403.284 1.972 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)[C@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282833349 HDZQUHYGFRSWHD-OLZOCXBDSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCCNC2)OC1(C)C 2282853678 HEDWGMSPOACQJC-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(F)CCCNC3)c2)OC1(C)C 2282858242 UFPDWZXOCDCJIB-INIZCTEOSA-N 404.338 1.417 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282877548 SQWQNJGDSGNHDZ-CQSZACIVSA-N 400.375 1.808 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883254 XUABXQCFWNGALV-NSHDSACASA-N 423.387 1.101 30 10 HDEE C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284394111 UUUHWTAHOWFAEH-SNVBAGLBSA-N 403.693 1.733 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC/C=C/C(=O)O)OC1(C)C 2284402033 GHVRUTPDUXRZKE-RMKNXTFCSA-N 401.677 1.558 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284403628 RTNZEPVLQMCCLF-JTQLQIEISA-N 403.331 1.745 30 10 HDEE C[C@@H](CCC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284404119 WJRAFFHAKJEMLQ-NSHDSACASA-N 403.331 1.720 30 10 HDEE CCC[C@@](C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284405255 IIBWFGMWBDRURA-MRXNPFEDSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC(CF)(CF)C(=O)O)s2)OC1(C)C 2295324464 QFEOQOAOEREFJZ-UHFFFAOYSA-N 411.257 1.088 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)Cc1ccccc1 2300225748 OOJAKVLSOAGXAT-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC#CCN(CC(=O)NCc1c(Br)nnn1CC)C(=O)OC(C)(C)C 2316116827 NDNGYRWWDOQJMZ-UHFFFAOYSA-N 414.304 1.937 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(Br)c(C#N)c1 2320979714 MVGKNQNWMPFLJM-UHFFFAOYSA-N 414.256 1.507 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367809850 QZUWEYWHIVJOKS-OWCLPIDISA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367819611 YISCJXBTXAMBHM-XHSDSOJGSA-N 400.541 1.435 30 10 HDEE Cn1nc(Br)nc1[C@@H](O)[C@H](N)C#Cc1cccc(Br)c1 2382077464 GHJRHCBZASWQAV-MNOVXSKESA-N 400.074 1.753 30 10 HDEE C=CCNC(=O)NC(=O)CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 4600963 LABWIIOKNIETLU-QFIPXVFZSA-N 406.442 1.688 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1 9388709 YHRCLKFVLOBDIK-UHFFFAOYSA-N 416.434 1.206 30 10 HDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 102756119 CZEAPCSDMKNVFX-LCPUNJGISA-N 424.501 1.791 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)NCC(C)C)[C@H]1CCS(=O)(=O)C1 111192275 KEGDCZNKPVMXLY-INIZCTEOSA-N 405.520 1.133 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 144635522 XAXZGSQENWEDGP-GDBMZVCRSA-N 402.470 1.480 30 10 HDEE C=CCn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)nc(O)n2C 253531933 MGEKJGAJAFREEP-UHFFFAOYSA-N 419.239 1.936 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccc(O)cc2)c(=O)n1-c1ccccc1 254762085 FJRKVIITJRRCRK-UHFFFAOYSA-N 417.490 1.730 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409481743 BLFKRTKPBMRAOU-RRQGHBQHSA-N 416.906 1.673 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@H](C)c3ccncc3)CC2)CC1 440186232 KSOGFOPWLOILIO-GOSISDBHSA-N 414.554 1.236 30 10 HDEE CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447282155 FXWMLGRIUCBBMO-UHFFFAOYSA-N 423.336 1.544 30 10 HDEE N#CCN(CC#N)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 463872784 QYDUFAPZUAQSCI-JPDRSCFKSA-N 400.438 1.342 30 10 HDEE CC1(C)CN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CCS1(=O)=O 464389586 ZCRAXVWWXDKYFR-UHFFFAOYSA-N 406.508 1.862 30 10 HDEE COc1cccc2c1CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 470551710 NRPQUFQKYXYGPH-HNNXBMFYSA-N 413.499 1.861 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3OC)CC2)cc1 478492590 QTYOODFUDHRKBC-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 478746926 MZOQQMQVYFMYDZ-HNNXBMFYSA-N 414.531 1.331 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)c(F)c1 480727067 CRMVRHLGORAQJZ-CYBMUJFWSA-N 418.493 1.013 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2S(=O)(=O)Cc2ccc(C#N)cc2F)cn1 486648201 CULKISZOKAFMCQ-WGDIFIGCSA-N 410.496 1.549 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 492433531 BSNVIVUNEKUUJT-HNNXBMFYSA-N 404.898 1.139 30 10 HDEE CCn1c(CCC(=O)N[C@@H](C#N)C2CC2)nc2cc(S(=O)(=O)N(C)C)ccc21 505913913 XQZQGVQTGLRCKF-INIZCTEOSA-N 403.508 1.657 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)cc1 518461767 CXLNTZRGEWQEKY-OAHLLOKOSA-N 420.516 1.851 30 10 HDEE C=CCN(C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 531208789 HGNXETFGMXQAIE-HOCLYGCPSA-N 414.549 1.242 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1C#N 535503651 KHGTXSJPJMHEER-UHFFFAOYSA-N 418.523 1.309 30 10 HDEE CC[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 542133741 BDRFLUGQJXNUBH-SFHVURJKSA-N 407.517 1.720 30 10 HDEE C[C@@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(F)cc1 546875542 CBQQBEHPGXRWGQ-HNNXBMFYSA-N 416.478 1.993 30 10 HDEE Cn1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(Br)c1=O 546927857 VNBCYEMFEUTFRU-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(OCCC(=O)NC)CC1 548912840 GJNFYLQYVGZVFP-UHFFFAOYSA-N 413.478 1.981 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC1CC1 549641717 WWKFRTJPLCJRQM-INIZCTEOSA-N 413.544 1.050 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)c1 553251627 CMUXZGDQPZQPJY-UHFFFAOYSA-N 403.464 1.185 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 557721925 LKGMKSQXWHQSBU-JQFCIGGWSA-N 402.882 1.869 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(OC)c(OCC)c(OC)c2)CC1 563974751 OLKKUCRWLCLWRO-UHFFFAOYSA-N 420.510 1.232 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 571212487 OHMVYUPWZWMPHW-QGZVFWFLSA-N 413.455 1.929 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCCN(CCOC)C(=O)C1 579293678 QJHMRLVJHUDERC-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(-n2cccc2)n1 585481007 YMDLLSKTZKQNGM-UHFFFAOYSA-N 408.487 1.958 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1C#N 589906546 MJYXPPSLCMMBNN-KRWDZBQOSA-N 420.516 1.857 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 609460092 RFTVOCHVFWWWCX-BBWFWOEESA-N 421.494 1.423 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784790 HSNJPLJCQDGKQJ-INIZCTEOSA-N 416.547 1.794 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 669818485 UPXSNAXUSSDNFW-ZBFHGGJFSA-N 407.496 1.384 30 10 HDEE Cc1cc(C#CCO)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703984926 VVMFNJULNMNCDD-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE COc1ccc(CNC(=O)CON=C(N)c2ccc(CN3CCOCC3)cc2)cc1 725792358 IRMALLCKKOCPHT-UHFFFAOYSA-N 412.490 1.481 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 726575091 PUHXPQFRIJHCFA-OCCSQVGLSA-N 417.556 1.972 30 10 HDEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCS(=O)(=O)C1 729333976 DZDKYPWPHIOQOM-MRXNPFEDSA-N 422.304 1.897 30 10 HDEE C#CCN(CC(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 731213832 VDXBAZJHJKCDRT-HNNXBMFYSA-N 418.437 1.366 30 10 HDEE COC(=O)CCCOc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 734174651 IVHROUNOJNTMEN-GOSISDBHSA-N 400.479 1.900 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 752703600 ZRSCZSQPBWCWLR-UHFFFAOYSA-N 401.444 1.469 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1ccc(OCC#N)cc1 755234454 CRXRJMBMQJQQIQ-QGZVFWFLSA-N 416.478 1.721 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(-n2ccnc2)c1 757196187 SHNLVSKHBVMPBD-HNNXBMFYSA-N 403.450 1.349 30 10 HDEE C=CC[C@@]1(C(=O)NCCNS(=O)(=O)NC(C)C)CCCN1C(=O)OC(C)(C)C 760622341 BEJHGCKYKQBXOC-SFHVURJKSA-N 418.560 1.281 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)c1ccccn1 764960331 AHUIZPWVHNCLHT-QGZVFWFLSA-N 416.503 1.530 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774200567 NZGYPWVFHQQGIO-SFHVURJKSA-N 407.536 1.349 30 10 HDEE C#CCCN1CCN(c2nc(N3CCN(CCC#C)CC3)c([N+](=O)[O-])s2)CC1 774528639 IVDOXSYKDDAZSJ-UHFFFAOYSA-N 402.524 1.342 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2ccccc2)OC[C@H]1C)c1cc[nH]n1 789971591 RTMKYNNITXDULK-RHSMWYFYSA-N 400.435 1.682 30 10 HDEE C#CC[C@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 795334223 QZPMBSCILXHHIS-FXAWDEMLSA-N 413.543 1.605 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 801795818 DQWARBBEAOEDHV-NVXWUHKLSA-N 405.524 1.125 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2)CCN1C1CC1 802289955 PPSRJMQOWISSDK-FQEVSTJZSA-N 419.533 1.933 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 804458164 BOQVIKAZRNIUCS-CRAIPNDOSA-N 402.520 1.455 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCCCSCC#N)CC1 805373672 YKRYXQCIDPNPHR-UHFFFAOYSA-N 400.526 1.617 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C(OC)OC)nnc12 816615266 RSGMRGBHORMMDG-GFCCVEGCSA-N 417.491 1.446 30 10 HDEE CC(C)N1CC[C@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H](c2cnn(C)c2)C1 849569227 SGYAWKOFVMMDBA-WMZOPIPTSA-N 412.542 1.502 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 858004753 MMLKWXIZTGUMPS-CLOOOTJHSA-N 424.457 1.284 30 10 HDEE CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921191638 BXLDWDKMKFGMNO-UHFFFAOYSA-N 415.494 1.508 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1 1124730455 BUCGXFFLYMBCOT-GOSISDBHSA-N 422.463 1.057 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(C)(=O)=O)ccc1Br 1132451823 JOZPWSAZNVKXRA-UHFFFAOYSA-N 403.254 1.381 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)nc1 1136367168 KBXYWPBVENYUDU-UHFFFAOYSA-N 413.459 1.908 30 10 HDEE CCOC(=O)CON=C(C(=O)N1Cc2cccnc2N2CCC[C@H]2C1)c1cc[nH]n1 1152377264 GRCIUYQYBHYGRM-HNNXBMFYSA-N 412.450 1.100 30 10 HDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1154157543 CZGVZUYSRBFIOZ-YPOBSOSXSA-N 423.539 1.639 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 1154958554 GONRJUFMZUNNTE-IBGZPJMESA-N 403.548 1.997 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)ccc1C#N 1157017919 YPCUIWSAOAZBQB-CYBMUJFWSA-N 403.460 1.156 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 1158229640 DLNIMEGVBRNUCQ-QAPCUYQASA-N 404.492 1.535 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(C#N)CC(C)C3)CC2)cc1 1165629103 LYJRKYSIERWQFZ-UHFFFAOYSA-N 420.535 1.203 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)ccc2COC)c1 1185655158 QWPQTQCKKUUILM-UHFFFAOYSA-N 416.455 1.518 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](C)C(=O)NCc2ccco2)c(C#N)cn1CC 1206508436 IBTNJBZQSJFOJT-GFCCVEGCSA-N 401.423 1.976 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(Cc3ccccc3)s2)CC1 1214340061 KPKJRBRQJXKKNU-UHFFFAOYSA-N 419.532 1.351 30 10 HDEE C=CC[C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1230736242 ABSRFYUVBRQCSU-INIZCTEOSA-N 410.540 1.411 30 10 HDEE CN(CCCNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)S(C)(=O)=O 1233990339 GJTLRHQQAKGQFQ-UHFFFAOYSA-N 404.496 1.039 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)[C@@H]2C1 1251337289 MSNHQMQLTGRHKK-DLTWYDFYSA-N 400.483 1.020 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(c2ncc(I)cn2)CC1 1252549512 NJZKBBHMGDYWTA-JTQLQIEISA-N 403.224 1.419 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nnc(-c3cccc(C)c3)n2C1)[C@H]1CCS(=O)(=O)C1 1264995451 GZTGITHZTVJGOA-ROUUACIJSA-N 412.515 1.465 30 10 HDEE C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2cccc(F)c2)C1 1281733698 RWHORXNUMRHESK-OSFNYYGPSA-N 414.477 1.862 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1286270528 LOCZFLOQZKXJLR-OAHLLOKOSA-N 417.535 1.520 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1286299986 KTWOQDCMTSIWTD-CYBMUJFWSA-N 401.421 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1286309704 UKAQACGRKNIRLS-QSFXBCCZSA-N 423.517 1.794 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1286377264 TUEBHHSBDYQGLH-UHFFFAOYSA-N 403.446 1.495 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1286386812 HXJYQPXKKVPUDS-KRWDZBQOSA-N 419.551 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@H]1C 1286408195 BDZFYMYPLJXRAK-YCRPNKLZSA-N 400.429 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCOCC1 1286457157 HWVLSAPTFNHAEG-NRFANRHFSA-N 406.527 1.831 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCOCC3)cc2)CC1 1286484565 QWNNUGZNOBTADH-UHFFFAOYSA-N 424.549 1.455 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1286495724 CZMQANZJJSJHDW-CHWSQXEVSA-N 403.599 1.196 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1 1286562389 RKJYHRWHTWLVDS-SJORKVTESA-N 403.508 1.556 30 10 HDEE C=C(C)CN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1286583150 JSVSOSSXVZVTNY-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286695300 TZJCEHNKWKSRGQ-QFBILLFUSA-N 412.556 1.983 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286699406 BYCCADLHBCRUNZ-WBVHZDCISA-N 404.540 1.323 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286716299 JOOQICYHCNQQGG-ZWKOTPCHSA-N 402.499 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286819479 MABCNUVLZUGKGF-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C[C@H]2CCCO2)c2ccnnc2)ccc1F 1287484758 MIRFWNOVVZUSKI-MRXNPFEDSA-N 420.466 1.906 30 10 HDEE C=CCc1cc(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)cc(OC)c1OC 1292305291 URFQSZXLBKKKKQ-INIZCTEOSA-N 417.437 1.374 30 10 HDEE CC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1293519203 UITGXAIJSYJUSE-LTDXQCTPSA-N 402.499 1.932 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CC[C@H](OCCN2CCOCC2)C1 1294691327 SVNBPNULUMNPLG-SFHVURJKSA-N 422.323 1.813 30 10 HDEE Cn1c(S)nnc1CCCNC(=O)COc1ccc(C#N)c(Br)c1 1298535946 ZDEKWMNXDWRGTN-UHFFFAOYSA-N 410.297 1.866 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C 1300663793 IVINPKJVGWPZJD-IBGZPJMESA-N 422.533 1.746 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1300754917 YKKZKAPIWUXKNI-HKUYNNGSSA-N 412.563 1.863 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCOCC 1300831000 PMERNAUEWKWBOO-LLVKDONJSA-N 410.338 1.270 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300948903 HPGGURZVNGKYIT-JKSUJKDBSA-N 402.499 1.862 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1300989545 PKQFSFJSPSGDGJ-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301041505 LWYNLQUCHDEJRV-SJORKVTESA-N 422.961 1.667 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc3c(F)cc(Br)cc3[nH]2)c(=O)nc1O 1301210871 GJHLOQMURYTCJC-UHFFFAOYSA-N 420.198 1.633 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1301355431 VNRBVTDLFIQYKT-UHFFFAOYSA-N 423.564 1.813 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1301458592 CSEKQEPMMHELAE-KGLIPLIRSA-N 409.537 1.709 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1301480874 FSCYORXVDBZGNW-ULQDDVLXSA-N 407.515 1.310 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C1 1301555351 VRAPSIOHHRXOTG-HUUCEWRRSA-N 402.499 1.056 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC2CCCCC2)CCO1 1303009067 DKZINSOKYPUYEM-IAGOWNOFSA-N 402.499 1.697 30 10 HDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cs1 1306037057 TZLWUGUHTDZJJU-NEPJUHHUSA-N 411.557 1.694 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1314018591 BVDFWULOEYGJEW-UHFFFAOYSA-N 411.466 1.183 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1314633570 LRKCKPVWWAYSJG-IBGZPJMESA-N 407.522 1.970 30 10 HDEE N#CCc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 1319924978 ZFAFVPTVWXBUNS-UHFFFAOYSA-N 417.512 1.518 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC2=O)cn1 1355540394 KSDFEWBKTISCMG-HUUCEWRRSA-N 416.482 1.135 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1358889326 AGFOLCWLNVLULO-QAPCUYQASA-N 402.520 1.833 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2cc(C)cn2)CC1 1359032833 FILJHCSWODKDTD-UHFFFAOYSA-N 405.506 1.914 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)[C@H](C)CC)CC1 1359038097 KNVHUWMVXKAFSU-QZTJIDSGSA-N 402.543 1.217 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359216298 UABUUWWUKRJSFK-CVEARBPZSA-N 407.540 1.348 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CCC2)CC1 1359294382 RUCOGFRDRZINRE-UHFFFAOYSA-N 410.522 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CCC)C1 1359334191 WNEKIGJAPWZUHG-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359334511 ILSWKYCYLYPENO-LJQANCHMSA-N 409.556 1.313 30 10 HDEE CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1=O 1360025852 NUCHRGVFFIDXIH-MRXNPFEDSA-N 411.466 1.047 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1360809513 CEZGKVSJEUUMSY-RBUKOAKNSA-N 404.478 1.277 30 10 HDEE Cc1c(I)cc(Br)cc1C(=O)N[C@H](C#N)CO 1449521485 SFHIKFRHTQWFQD-MRVPVSSYSA-N 409.021 1.976 30 10 HDEE C[C@@H](CC(=O)Nc1cccc2ncnc(O)c12)/N=C1/NS(=O)(=O)c2ccccc21 1455606762 HCXNUFJPQCYTHW-NSHDSACASA-N 411.443 1.791 30 10 HDEE CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457199836 LPZOJGCUENICCY-HNNXBMFYSA-N 419.482 1.533 30 10 HDEE Cn1ncc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1Br 1458002137 LIUPFWLSHVTJLR-UHFFFAOYSA-N 407.224 1.700 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(S(=O)(=O)NC2CC2)cc1 1459767603 GCFNAYLOQUUONN-HNNXBMFYSA-N 412.519 1.500 30 10 HDEE N#C[C@]12CN(CCC(=O)Nc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1460884223 SUFDMLUPHCWEHQ-BLLLJJGKSA-N 412.309 1.648 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1=O 1463342474 IISRWEKRWMEOPL-QYZOEREBSA-N 424.501 1.380 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)[C@H]1CCCO1 1463558728 IQSJUXNCQIWSQK-VXGBXAGGSA-N 405.245 1.146 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)c3c[nH]nc3I)CC2)nc1 1464760804 NWUZTJQRSJINJR-UHFFFAOYSA-N 422.230 1.680 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1 1465340568 QNKVSLUCAFSDDW-UHFFFAOYSA-N 406.508 1.634 30 10 HDEE CN1CC[C@@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1469261124 GIAJDVZGZQCEJV-CQSZACIVSA-N 410.434 1.970 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN2CCC3(C2)OCCO3)cc1C(F)(F)F 1475706246 DAZOYEIPQIUXQX-UHFFFAOYSA-N 405.398 1.304 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC(C)(C)C(=O)N2CCCC2)C1 1478404362 RHOFQEMFCXFSNE-CABCVRRESA-N 407.515 1.693 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1503861678 ADTMUVLCBOATFO-JXFKEZNVSA-N 413.503 1.684 30 10 HDEE C#CCCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1507565822 FLFXIALDIZXMGY-UHFFFAOYSA-N 419.526 1.893 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507592742 UEBVYMJJVVEMMS-GOSISDBHSA-N 402.543 1.186 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507628211 HDKBPRZSXZYDHF-HUUCEWRRSA-N 405.549 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1C 1507671503 LTUSIUOEBSEOEZ-GOSISDBHSA-N 403.446 1.430 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1507677803 KIWIBIVYHNXDQN-UHFFFAOYSA-N 412.885 1.613 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCC(=O)NC)CC1 1507716605 SIHZFHUDOLJJJW-UHFFFAOYSA-N 423.521 1.039 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507784557 LLRYGFCLNCCVLZ-QGZVFWFLSA-N 403.284 1.965 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)OC)CC1 1507884631 KQELHTFWBLFCQK-CVEARBPZSA-N 413.544 1.192 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1509762145 ZHILPFPLMMMEIX-HZPDHXFCSA-N 412.494 1.867 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1F 1510638330 HSMFGDPNTGEMGN-DZGCQCFKSA-N 422.486 1.113 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517221964 FQODWZXISYWVRJ-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)Nc1cnn(CC(=O)NC2CC2)c1 1517442845 HPNUPAUJFIOGKI-UHFFFAOYSA-N 418.251 1.813 30 10 HDEE CO[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517759034 BSJSHUNNPJSHCA-MRXNPFEDSA-N 406.494 1.912 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1519044010 SKJFZCWGTRNOHW-UHFFFAOYSA-N 408.466 1.443 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCSC1 1519167602 DOEVNAGQUSRKDJ-MRXNPFEDSA-N 406.556 1.910 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C)c(C#N)cn1 1521296047 ONCBDWDTJOUCDB-UHFFFAOYSA-N 416.459 1.544 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)cc1 1536910089 FWUSAHWXESWXDW-MRXNPFEDSA-N 407.492 1.337 30 10 HDEE COc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)ccc1C#N 1538923790 GJUKNTJCEQJXJM-UHFFFAOYSA-N 408.462 1.156 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539211499 MSHIAYVMURZILZ-XLIONFOSSA-N 402.520 1.733 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1539220539 KMGYMQFSFIJTBE-CVEARBPZSA-N 419.551 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1539315113 DRGPJHREHDIDAW-QGZVFWFLSA-N 417.517 1.605 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1539447301 QERUSPYNVSHIJS-UTKZUKDTSA-N 415.563 1.897 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539505954 OECBXFBXVYTVEP-HNNXBMFYSA-N 407.565 1.663 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN4CC(F)(F)C[C@H]4C3)C2=O)cc1 1539957652 GJQCHVHMERUSCK-HOTGVXAUSA-N 417.416 1.315 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2cnn(C)c2)CC1 1540870594 QVBFMTIMEJADRY-QGZVFWFLSA-N 413.526 1.592 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1540871671 QLFUHPAVSVAMJL-JTSKRJEESA-N 411.506 1.836 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1540915910 PEVFWJUJTQMYDB-MRXNPFEDSA-N 409.556 1.386 30 10 HDEE CC(C)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1541507565 KHHLOMDPSRXTRB-RMYFCYLKSA-N 415.498 1.238 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1541801908 GXIDUWIUMGACTL-MAUKXSAKSA-N 423.521 1.912 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 1544462347 BRBWKQUSFWRGGL-HNNXBMFYSA-N 405.499 1.194 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1=O 1544858385 AXYWPSYYVFPTSG-WFTWPBCJSA-N 400.866 1.690 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1 1545512924 RNSWAASINJTJNL-IBGZPJMESA-N 420.531 1.047 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@]1(COC)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1556375800 SMEBOWOXPWLHIJ-AUUYWEPGSA-N 400.472 1.120 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1557344504 YTWPUXSVTMJINB-SECBINFHSA-N 424.260 1.777 30 10 HDEE COC(=O)c1cnc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1558388985 JAWXOMAAKZBBAD-UHFFFAOYSA-N 408.461 1.052 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CC1 1561866909 XQUANLKOZYANOZ-UHFFFAOYSA-N 404.410 1.518 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3ncc4c(c3C#N)COCC4)C2=O)cc1 1584216812 SRJHVAIYQWLFGB-JOCHJYFZSA-N 419.441 1.740 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1584661690 VKNNWCQHIBJMAB-SFHVURJKSA-N 405.520 1.371 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCn2cncn2)c1 1587692254 AXHVBZFVGITDOY-KRWDZBQOSA-N 420.477 1.130 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCCCO)c1 1587693482 TTYGLUNTOHFBNL-GOSISDBHSA-N 424.505 1.448 30 10 HDEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1587746472 VFHRSNYBOVOBAA-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C#CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1587755294 XTZNUBLNKPWDAE-UHFFFAOYSA-N 419.489 1.415 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1587981182 LTMBHDJTTIJSGQ-GOEBONIOSA-N 405.426 1.335 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588045260 IEBPNWZJHSOWCD-QGZVFWFLSA-N 417.535 1.337 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588049451 GQUMPEHKHBJPJZ-HOTGVXAUSA-N 405.524 1.715 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCS(C)(=O)=O 1588595426 TXSXYZLXSIFPGU-UHFFFAOYSA-N 402.476 1.822 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2csc(CC)n2)CC1 1588806291 MAOFVFDYESYBNB-MRXNPFEDSA-N 413.551 1.246 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CC 1589149948 BHPOWINIDMXWBR-JTDSTZFVSA-N 408.572 1.365 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1595681510 SBKXAYNABQOWBB-MRXNPFEDSA-N 402.499 1.623 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595744368 LLSPBWAQTFYYQG-SJORKVTESA-N 416.526 1.780 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1598129673 SYNOKLVRUOWVFV-UHFFFAOYSA-N 420.477 1.580 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCC1 1598278375 DJGRDAXEIHHKMU-TWOQFEAHSA-N 403.506 1.792 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@@H]1CCCO1 1608405074 CIBHZDDZFIMLJB-HNAYVOBHSA-N 408.478 1.444 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1612652888 DYZDJXJGSCAUMT-QGZVFWFLSA-N 407.522 1.970 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1614069959 JCQHTQFONYNNRY-RTBURBONSA-N 424.505 1.727 30 10 HDEE CNC(=O)[C@H](C)NC1=CC(=O)[C@@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@@H](C)C1 1615245706 ARTHRGRJHFKZCT-VUPYVKPUSA-N 422.865 1.888 30 10 HDEE N#C[C@]12CN(C(=O)C3(Cc4ccc(F)cc4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1616335518 DDKJQHMRGFDMDP-OXJNMPFZSA-N 406.479 1.562 30 10 HDEE C[C@@H]1Cc2cc(C(=O)Nc3nc4n(c3C#N)CCOC4)ccc2N1S(C)(=O)=O 1617126979 XUQBDZMMQXOTHW-LLVKDONJSA-N 401.448 1.248 30 10 HDEE N#CC1(C[C@H](O)CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCOCC1 1617845412 FNBPDYUGLUBMNM-GOTSBHOMSA-N 412.578 1.950 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1618180303 GRFSCGUKGSLVDE-FFZOFVMBSA-N 408.502 1.766 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1619879982 JLRJMNIQIGCUQP-AWEZNQCLSA-N 403.487 1.180 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nnc(C)s1 1619989212 DAUZQFJKVDHORZ-SJCJKPOMSA-N 409.491 1.847 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CN3CCO[C@](C)(C#N)C3)cc2F)C[C@@H](C)O1 1620623163 NGIHMLOKQGPONT-VWKPWSFCSA-N 404.486 1.670 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1624172155 QNXICDRSFVJMQT-OLZOCXBDSA-N 409.936 1.563 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c1 1625574842 YIRDPPDGSXYVFG-UHFFFAOYSA-N 404.473 1.356 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NCc1ccc(C(=O)NO)cc1 1626239592 VRPDXTWIZSEERL-UHFFFAOYSA-N 409.439 1.320 30 10 HDEE C[C@H](O)[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1629766945 YFXLYDIXGGVBOL-GUYCJALGSA-N 400.435 1.631 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 1630290607 ALPWXJSMHTUOSU-UHFFFAOYSA-N 404.496 1.248 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C)nnn1CC 1631089668 MWSGSODLMXUYJF-OAHLLOKOSA-N 418.523 1.520 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)OCC)C2)cc1 1632678289 IIIKUWIAKKYVHW-FQEVSTJZSA-N 422.478 1.496 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1636288228 FZBTWISRZIVUMQ-QRWLVFNGSA-N 424.482 1.697 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1638935129 JRRPZZFHURMHNI-XFQAVAEZSA-N 423.510 1.745 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1640487238 CWMBOYYARKKWHO-UHFFFAOYSA-N 406.512 1.513 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CCSC)c2nn[nH]n2)CCCN1C(=O)OC(C)(C)C 1640964050 SEHZWGLAMFNWHS-SCLBCKFNSA-N 408.528 1.903 30 10 HDEE Cc1ccc2nc(CSCC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cn2c1 1642499085 AYNWDWYIYBWRLP-UHFFFAOYSA-N 411.491 1.946 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1S(=O)(=O)NCC#N 1644196740 DDGHUXDBAGQBSX-CQSZACIVSA-N 417.462 1.747 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)COc2ccccc2)CC1 1644429711 ZOZKNWWRJJGUTR-SFHVURJKSA-N 404.532 1.680 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1)C(C)(C)C 1644574562 KRYQKCJNJAOOCH-UHFFFAOYSA-N 413.490 1.531 30 10 HDEE C[C@@H](CC(=O)NCc1ccc2oc(O)nc2c1)/N=C1/NS(=O)(=O)c2ccccc21 1644963893 ATJVWZZNSWMTDS-NSHDSACASA-N 414.443 1.667 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 1648533455 UJSSJPRYEIMBQL-HOCLYGCPSA-N 421.519 1.726 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1648718162 CFNYOOPYCPGESE-KKUMJFAQSA-N 412.483 1.657 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F 1651796522 SMRRHCDVMCTZDC-ULFGMLNVSA-N 403.435 1.813 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CC(=O)OC)c2cccnc2)cc1 1654052142 XHPHCQRZMBIHGD-HXUWFJFHSA-N 415.471 1.201 30 10 HDEE CNC(=O)NC[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1654268071 XNBRQWYPTZTRQC-ZIAGYGMSSA-N 419.551 1.845 30 10 HDEE C#CCNC(=O)CN1CCN(c2ccnc(-c3ccc(Br)cc3)n2)CC1 1655534092 BAXOFTGJLKIXSV-UHFFFAOYSA-N 414.307 1.778 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 1659436915 DFNVBGGJIMIFHJ-UHFFFAOYSA-N 401.872 1.514 30 10 HDEE C=CCOC[C@H](NC[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(=O)OC 1659598418 HWZXIUKSIGGMIM-HOTGVXAUSA-N 413.515 1.084 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1nn(C)cc1[N+](=O)[O-] 1661408214 PYQNSSJRRAWAAG-OAHLLOKOSA-N 422.463 1.679 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCCn1cc(Br)ccc1=O 1669447097 BQTONYYOZVNMBU-UHFFFAOYSA-N 414.256 1.909 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c1 1669673384 QXRZJVBXSDZMNP-RDJZCZTQSA-N 404.492 1.535 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)c1ccc(Br)cc1 1674030749 KGNTZWHXDIALJB-MJVIPROJSA-N 410.268 1.489 30 10 HDEE C#CC1(F)CN(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)C1 1679140238 LXGLWHFQLUYVPD-UHFFFAOYSA-N 409.259 1.917 30 10 HDEE C=CCCOCCNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1679687869 ZYDMQLPQFDCTTP-MRXNPFEDSA-N 409.527 1.943 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)n1 1679703329 OSOLUOYZVFQAKM-GOSISDBHSA-N 419.526 1.978 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1680700560 QXODXMLDPSQUHP-DYVFJYSZSA-N 421.498 1.987 30 10 HDEE CC(C)[C@H]1CCc2nc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)sc2C1 1681050594 CLEJMKHHFJTCHX-NSHDSACASA-N 402.480 1.860 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1682416822 RWHXORPYVICHFM-NSHDSACASA-N 410.323 1.898 30 10 HDEE C=CCCC1(CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CCCC1 1683823415 LRSAWEFKLDCJON-UHFFFAOYSA-N 404.511 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)O2)C1 1684136401 YUTFJYNMFXTBSP-DLBZAZTESA-N 419.526 1.537 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H]2C)CC1 1684436311 KDSOAMOJOXEPLE-BMGDILEWSA-N 424.954 1.832 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)NCCNc1ncccc1C#N)C(F)(F)F 1684894055 SCLXSJSYJFOEAM-GFCCVEGCSA-N 419.429 1.892 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(-c3nc(C(=O)OCC)n[nH]3)c2)C1 1687593436 QFVLFPOIATYJCL-KRWDZBQOSA-N 410.478 1.545 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1689937178 RBJVHMLALVIXOP-UHFFFAOYSA-N 407.526 1.613 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)c(OC)c1 1689946088 MPKSQBVQLCEDJK-AWEZNQCLSA-N 421.523 1.413 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC1CCOCC1 1690001976 WMZHKTYUXZIBAD-MRXNPFEDSA-N 407.540 1.168 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1690013151 CZNOLWHIFOZLKO-UHFFFAOYSA-N 424.530 1.829 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1690029624 FTRFSPLWVCHWAI-GOSISDBHSA-N 413.503 1.181 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CC1CCS(=O)(=O)CC1 1690098698 RNMOYYCPYMDKCE-UHFFFAOYSA-N 402.520 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[S@](=O)C(C)(C)C 1690106031 HVGXQYGYXKIHJS-LJAQVGFWSA-N 420.583 1.773 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690188976 ROWCJDLGTHXZCC-DQLDELGASA-N 401.511 1.747 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)CC 1690198558 SVQZVZPLXLJCAO-PRAQEBQASA-N 424.534 1.682 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCNS(C)(=O)=O 1690210848 LWECYFZZKZARNM-HXUWFJFHSA-N 417.535 1.441 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](COC)C1 1690220314 WIEPQICBLGXASJ-UONOGXRCSA-N 419.320 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)CC1 1690245007 BMPMSJAWFQFWEQ-QYZOEREBSA-N 403.527 1.822 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690320591 XNESLKLYCZJABI-QGZVFWFLSA-N 407.515 1.235 30 10 HDEE C[C@@H]1N(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCOC1(C)C 1692881662 WVQSVNRMMIKBHW-OLZOCXBDSA-N 422.511 1.405 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)no1 1692996181 DGSDFDMCPUGACS-UHFFFAOYSA-N 412.475 1.642 30 10 HDEE Cc1nc(CCn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1693370384 KEXXWVFFZIQBKI-KUHUBIRLSA-N 402.503 1.726 30 10 HDEE Cc1nnc(N2CCO[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693517576 ZJOVQOONIMDPCU-NQKFGRBQSA-N 408.462 1.691 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 1693831185 SOYAZYXFHWLSTD-MCFFVMPBSA-N 424.505 1.821 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705534136 AEZZADVJHFTYMU-IXDOHACOSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705566413 NWFIDLOREKZYJQ-OXQOHEQNSA-N 417.535 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1705587183 KRXMNIDDBSKPAU-NRFANRHFSA-N 407.518 1.788 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCCCC2 1705589094 KISNQYJMZJUNHP-UHFFFAOYSA-N 408.510 1.245 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1705610937 KJKXFLUETQNAND-UHFFFAOYSA-N 421.505 1.613 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1705653436 HIPBWLXVSTYJAP-AWEZNQCLSA-N 413.569 1.014 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1705661746 ILNFPGDMTJTSIM-OAHLLOKOSA-N 410.565 1.163 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(N)=O)CC1 1705693307 DYLKTBKSXMCVRW-WMZOPIPTSA-N 418.542 1.489 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705696364 GLLXOEVMLAQVCP-CTNGQTDRSA-N 416.570 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(N)=O)C1 1705706468 VJAHDBOEKZDSJK-FYINFDKHSA-N 416.526 1.083 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705741331 MSLWBAULMJAXTQ-QAETUUGQSA-N 422.482 1.709 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC(N)=O)c2)C1 1705918134 DANDVMQCMFEQGJ-SFHVURJKSA-N 422.489 1.967 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1706677970 BHIQCJSRZBXQTP-XLIONFOSSA-N 416.457 1.630 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](COC)OC 1708476829 ATHIKORBHZWHMW-CZUORRHYSA-N 400.483 1.988 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCS(C)(=O)=O 1709101669 FCKRTRUVGBGPHH-UHFFFAOYSA-N 418.523 1.590 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1712317943 DIHLSHYNVFPBAA-SFTDATJTSA-N 412.494 1.306 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CC1=O 1712478695 FMQAEVBJLZNANB-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1=O 1712486446 NFVAFEJOTXHQFI-QGZVFWFLSA-N 424.505 1.538 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722305660 CIEDSXMWNWXKNZ-SFHVURJKSA-N 400.527 1.670 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722365205 CVWHGKLCRMSIOB-QGZVFWFLSA-N 402.520 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@H](C)CC 1722397816 VGOBFWNINYXCGW-MBOZVWFJSA-N 406.552 1.440 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCS(C)(=O)=O)CC1 1722434704 YCHCWQQTIJBSPR-UHFFFAOYSA-N 417.535 1.144 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N2CCOCC2)CC1 1722439410 AQYXVTWDEXCMLR-IBGZPJMESA-N 400.571 1.487 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nnc(CC)s2)CC1 1722450592 NGGLTXKMEGOYPK-UHFFFAOYSA-N 417.539 1.243 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1722618596 SKSBBPNGEDTIIC-CQSZACIVSA-N 404.558 1.017 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722701013 CFOSKPVDOSWLET-IRXDYDNUSA-N 417.535 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCn2cncn2)C1 1722710157 DUODYPBHHNCYFP-XLIONFOSSA-N 417.514 1.392 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)n1 1723191769 NJNAATQZVQDQQO-UHFFFAOYSA-N 420.525 1.756 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1723771424 FQSXNXLWPFWNSO-HNNXBMFYSA-N 422.493 1.943 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1729722799 AMDFUAKSARAXCO-MJGOQNOKSA-N 424.505 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1740538589 IKSMGSHMWMMAJP-OAHLLOKOSA-N 417.535 1.568 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740543993 ACGIQWRBAOKHJA-MRXNPFEDSA-N 421.505 1.652 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1740609984 WXRRJEUQOPNJOG-UHFFFAOYSA-N 400.483 1.186 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)cc2C)CC1 1740688261 CHDULEQEXNVANC-UHFFFAOYSA-N 423.565 1.594 30 10 HDEE C=CCCOCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1740888173 QEEOVZIHCMPDHN-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2F)CC1 1740985779 LSNGATXRLHMMRY-UHFFFAOYSA-N 422.530 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(CC)C[C@H]1CCCO1 1740989404 MDXGEDWAAFVGIH-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCC[C@H]21 1740994292 MLXFXYRETHXARA-HZPDHXFCSA-N 407.540 1.380 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1745883168 ADAOLFXZBYBHGN-KRWDZBQOSA-N 410.478 1.684 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1746369495 SHWXLEVENUUVJI-RIFZZMRRSA-N 414.514 1.792 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1748709998 CWRAUXZVDZRWGP-CQSZACIVSA-N 419.507 1.433 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748814284 CLRCYYSZBLMFNW-SFHVURJKSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1748814844 KBBGEYPGZKHZNY-LSDHHAIUSA-N 423.514 1.138 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC(F)(F)F 1748831790 XVAQEIBOAJTLOH-UHFFFAOYSA-N 405.380 1.705 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1748840488 CEYSRGLHIZBUSO-UHFFFAOYSA-N 400.508 1.109 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2ccc(F)cc2)CC1 1748991201 SKAGDEBBKGZAIV-LPHOPBHVSA-N 410.497 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2conc2COC)CC1 1749015815 OLIISIGXKBEBHU-UHFFFAOYSA-N 412.494 1.379 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1749225821 KFLUQQILXVNDHQ-MRXNPFEDSA-N 407.515 1.657 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749488089 IPIPLYVHFJYUPX-BRWVUGGUSA-N 409.556 1.608 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1749590827 GPWKEJHWMYUKIO-MRXNPFEDSA-N 400.483 1.536 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1noc2c1CCCC2 1749598424 YGQUECYVVPOIHK-HNNXBMFYSA-N 400.483 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1c(C)noc1C 1749740353 DBWWHADPIZCEON-MRXNPFEDSA-N 409.512 1.972 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1750215818 HUATWAGPXCAIAB-MRXNPFEDSA-N 412.516 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1760117608 RBSWDOGUWDJACB-MAUKXSAKSA-N 414.531 1.759 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(F)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760185671 BAJGEKAZUZBEQJ-MRXNPFEDSA-N 406.483 1.663 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@H]2CCCCO2)CC1 1760251812 HYTIEAKSBZKPFX-LJQANCHMSA-N 414.554 1.619 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(OC)nc2OC)CC1 1760268819 PXVRIMFDPJVPJY-UHFFFAOYSA-N 424.505 1.582 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCCC2)CC1 1760271748 KCFBDHPAYBXOLV-UHFFFAOYSA-N 422.533 1.535 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCn1cccn1 1760313996 SFDKWLYZCXFBLB-IRXDYDNUSA-N 401.515 1.730 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1760352779 XYQXVVZPGKJTFV-LSDHHAIUSA-N 417.601 1.813 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1760592195 ZZZKTNOLWXDYCP-GOSISDBHSA-N 408.510 1.438 30 10 HDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760804517 GIAJYNILIWSCNB-ZYWUZIHQSA-N 415.519 1.925 30 10 HDEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1761311663 PRNFXMYGUDMOHB-QAPCUYQASA-N 412.560 1.833 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1761948239 FWFBWBFQDVCHSQ-OHTQGHCMSA-N 417.514 1.425 30 10 HDEE CCCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765955843 RYIQLLIGGSQGGW-VLGSPTGOSA-N 415.498 1.277 30 10 HDEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1769061528 CZQRDDBANDIVPZ-PMACEKPBSA-N 420.439 1.656 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCOCC2)CCO1 1770746424 FSKIHEPQPQESGR-INIZCTEOSA-N 403.870 1.869 30 10 HDEE COC[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1)OC 1770751443 HNNCPMQLHRWCET-GOSISDBHSA-N 412.494 1.684 30 10 HDEE CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)ON1C(=O)c2ccccc2C1=O 1772790154 KMOOHOPKHJVKIZ-JOCHJYFZSA-N 419.393 1.740 30 10 HDEE N#CC1CCN(C2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)CC1 1848739506 COARRBUNPZNKKJ-UHFFFAOYSA-N 406.490 1.532 30 10 HDEE CS(=O)(=O)N1CCN(c2ccccc2OCC(=O)Nc2ccc(C#N)cc2)CC1 1851897527 SZYMQKMDXAZPMJ-UHFFFAOYSA-N 414.487 1.657 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccccc4)n3[nH]2)CC1=O 1852330488 IIIBVDXDKFFZPF-GJZGRUSLSA-N 406.446 1.659 30 10 HDEE COc1ccc(N2C[C@H](CNC(=O)Cc3cc4c(cc3C#N)OCO4)OC2=O)cc1 1852758004 QXTBJHSEFHOXAN-KRWDZBQOSA-N 409.398 1.980 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](N(Cc1ccc(F)cc1)C(=O)c1cnc(C#N)nc1)CC2 1853426534 QTYOAEITNJRUAY-GOSISDBHSA-N 418.432 1.781 30 10 HDEE C=CCN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)c1cn(C[C@H]2CCOC2)nn1 1853577887 KBNYJZYUKUJBRU-QGZVFWFLSA-N 418.519 1.937 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854555314 QYDVXLDLVBBEJZ-NVXWUHKLSA-N 411.458 1.570 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(Cn4ccnc4)CC3)CC2=O)CC1=O 1854562463 JVJRHDRJOZDLCA-RBUKOAKNSA-N 413.522 1.005 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1854599865 UTZRAQQFJXCJAQ-QGZVFWFLSA-N 409.483 1.226 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1854751594 OGTTVIRMYZPPOF-HKUYNNGSSA-N 419.547 1.865 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)nn1 1854825029 SUCXWEJAUXLPTQ-GOSISDBHSA-N 407.478 1.483 30 10 HDEE Cc1cc2ncc3c(n2n1)CCN([C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1=O)C3 1855482075 GKXSXQLBQRRJJL-GOSISDBHSA-N 401.430 1.104 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855597027 UUYJRSVEYTWXAQ-SJORKVTESA-N 409.490 1.770 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1856108221 UWGHNIPINBSPLT-UHFFFAOYSA-N 417.409 1.551 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccccc2F)C1)C1CN(c2nccnc2C#N)C1 1856231418 HEZAQRSOZDBYBZ-AWEZNQCLSA-N 408.437 1.297 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1856254675 DPKGZYYOBPXYKT-IAGOWNOFSA-N 405.520 1.992 30 10 HDEE CN1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)[C@@H](C2CCOCC2)C1 1856359400 VYDNZDPHHQCYCX-GHTZIAJQSA-N 410.518 1.590 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@@H](F)CC3CCC3)C2)C1 1856386213 LZYHCHSTVGQDNN-WBVHZDCISA-N 400.454 1.920 30 10 HDEE Cn1ccnc1[C@H]1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857082000 HQTUQEIHWUUSGX-WMZOPIPTSA-N 406.490 1.945 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857153288 HVRYHBLSENFIBQ-INIZCTEOSA-N 400.479 1.366 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c(C)nc3ccccn23)C1)[C@@H]1CCN(C)C1=O 1857282126 RIQANJNOFPJOMT-IAGOWNOFSA-N 409.490 1.350 30 10 HDEE C[C@H]1CN(C[C@@H]2COCCO2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1857327931 DPVIBVZYSQVJMU-MAUKXSAKSA-N 406.442 1.998 30 10 HDEE COc1cc(/C=N/N[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccccc1 1873471079 VUHXENUUBOLYGX-RHLNUJDMSA-N 417.487 1.823 30 10 HDEE COC(=O)c1cccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)c1 1873920445 OEXIROIEWHPYKQ-UHFFFAOYSA-N 400.460 1.657 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874470369 AZEVQBYFDBCWPZ-YBFXNURJSA-N 406.468 1.876 30 10 HDEE CN(CC1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)CC1)c1ncccc1C#N 1891382845 MKFHDWPYDIUGQO-KRWDZBQOSA-N 424.530 1.607 30 10 HDEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 1891457668 JGJPQYSKXTXFRT-GOSISDBHSA-N 414.549 1.022 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985097074 AFFGOGJBJXRJKB-AHDPXTMNSA-N 410.320 1.811 30 10 HDEE C#CC[C@H]1COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2057296141 UKTRBIFINQXXJZ-IFXJQAMLSA-N 408.451 1.065 30 10 HDEE C#CCO[C@@H]1CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108232599 ZJLZVSMWJVGLMN-QRWLVFNGSA-N 422.478 1.455 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)O 2151777142 XCRAUFWYEDNABB-GFCCVEGCSA-N 417.871 1.858 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174781049 BJKPAHBDPJDTIO-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2188400494 ZTPBRZVSIBCZNE-HUUCEWRRSA-N 400.541 1.965 30 10 HDEE CN[C@@](C#N)(Cn1ccnc1CCN1C(=O)c2ccccc2C1=O)C1CCOCC1 2208071707 IXYGNZHWZHBTHO-QFIPXVFZSA-N 407.474 1.630 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](S(N)(=O)=O)CC12CCC2 2239525153 JCAXRAWRCFYQIM-KBPBESRZSA-N 401.529 1.658 30 10 HDEE CCN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2247816478 CUZPVFRMLQQHQU-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 2247920830 DQMCSFGFKZYSEP-UHFFFAOYSA-N 423.323 1.147 30 10 HDEE C#CCN(C1CCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167449 GLQUJXWWQSWVSV-QGZVFWFLSA-N 408.476 1.272 30 10 HDEE CN[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282312386 WCWIJFUOILHGCC-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE C[C@@H]1CCC[C@H](CN)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333222 LTSFLOOTOBHLMF-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CN 2282347737 BSPJBABEZBEONB-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@]3(=O)CC[C@H](CN)C3)s2)OC1(C)C 2282352437 OOSIXNPRMLAWIH-NDHGSNPTSA-N 420.387 1.183 30 10 HDEE COC[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282500795 NTPLRYRDCATFCA-LBPRGKRZSA-N 402.347 1.240 30 10 HDEE C[C@H](O)[C@@H]1CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503337 YOYHLDPVJSJVEW-NHYWBVRUSA-N 401.721 1.783 30 10 HDEE CCOC1(CO)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282623650 HCUDIWRNJZUIPV-UHFFFAOYSA-N 401.721 1.924 30 10 HDEE C[C@@H](CO)CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836854 PXOVFMFWGTYXII-GFCCVEGCSA-N 404.363 1.270 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282840553 HSCSCSRKLQUJLW-STQMWFEESA-N 400.375 1.761 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1O 2282854817 WJMLAYSAFDMARL-VXGBXAGGSA-N 401.359 1.685 30 10 HDEE CC(C)(NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)[C@H](O)C(=O)O 2284378050 KLPATPRYROHBDB-LLVKDONJSA-N 403.693 1.655 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC([C@@H](F)C(=O)O)C2)OC1(C)C 2284396630 XGHYKBBQPDOTQU-GFCCVEGCSA-N 405.278 1.091 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H]2CC(=O)O)OC1(C)C 2284400585 XACVNJZJGFDJQG-NSHDSACASA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](CC(=O)O)C3)s2)OC1(C)C 2284415840 QMPRYMIQZFUPFZ-LLVKDONJSA-N 401.315 1.533 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCCNC(=O)OC(C)(C)C 2300233544 RNXFYASYQDEUBD-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2342049181 ROHYFENSFKFJTP-UONOGXRCSA-N 406.485 1.800 30 10 HDEE CCN[C@@H](C#CC(C)(C)OC)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363595345 HXXBKAXQXYWGPQ-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365207654 PVXYGZXRUFJWEX-WCHVHBCKSA-N 400.541 1.195 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240224 CHJAPCLGIKIEDG-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367811680 KUOFDMIQCJYTCQ-JTOWHCCKSA-N 400.541 1.339 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@H]1CNC(=O)OC(C)(C)C 2375783542 CEGLQNFZCFJDLK-IYOUNJFTSA-N 402.513 1.420 30 10 HDEE CCOC(=O)c1sc2ncn([C@H](C)C(=O)Nc3c(C#N)cnn3C)c(=O)c2c1C 16893130 LHAXVJAPGIMJOT-SNVBAGLBSA-N 414.447 1.748 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 24378909 JRNNTXKFEKFVHT-IBGZPJMESA-N 416.478 1.756 30 10 HDEE O=C(N[C@@H]1CCS[C@@H]2CCC[C@H](C(=O)O)N2C1=O)[C@H](S)Cc1ccccc1 34240370 LVRLSYPNFFBYCZ-KLHDSHLOSA-N 408.545 1.941 30 10 HDEE O=C1CNC(/N=C(\O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)=N1 50222911 GFRVGERLAMBJGF-UHFFFAOYSA-N 416.415 1.049 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 52305232 HXSUJMDWEFQBED-QGZVFWFLSA-N 418.538 1.109 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc(OC)c1O 63585460 WWNKRJJTACCRKC-UHFFFAOYSA-N 419.459 1.531 30 10 HDEE CCc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443866 LHNNLPYKBWJJPS-HZPDHXFCSA-N 420.473 1.258 30 10 HDEE C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)NC(C)C)CC2)cc1)C(C)=O 96210603 BJYFAEMVGQGIJD-UHFFFAOYSA-N 401.511 1.900 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)c3)CC2)n1 432483368 AKNXWIKVLJLFQC-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)n1 445129653 DRSVNMCCCXCZID-UHFFFAOYSA-N 412.450 1.821 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1C[C@H]1CCCO1 460926958 RGRFLRNHHLCPBH-NVXWUHKLSA-N 408.510 1.786 30 10 HDEE COc1cc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1C#N 462472320 HTDQMXRTFBYGHX-KRWDZBQOSA-N 424.457 1.691 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)Cc2ccc(O)cc2)cc1 462930528 CKLXXHRGPYXSGJ-GOSISDBHSA-N 424.482 1.463 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CC(=O)N(c4ccccc4F)C3)CC2)n1 463537711 WUPOBQBGGOEQPF-MRXNPFEDSA-N 408.437 1.729 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2noc(-c3cccc(F)c3)n2)cc1 476930088 FRQHIPHBANBKJA-UHFFFAOYSA-N 414.418 1.979 30 10 HDEE C=C(C)[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(F)c(F)c1 477755956 RGOJMULSOHNPQA-FQEVSTJZSA-N 422.476 1.768 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccsc2)C1 482806170 ZGGJECBPZZDODP-DYVFJYSZSA-N 405.501 1.887 30 10 HDEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)S(=O)(=O)c1cnc(C)c(C#N)c1 489095663 CKOUYABNRHRDRN-UHFFFAOYSA-N 419.459 1.643 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1 490646445 FFVKKRPAZMHSEC-PKOBYXMFSA-N 415.538 1.942 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCOc2ccc(C)cc2Br)CC1 492336121 MFIWOQZBSAPJRS-UHFFFAOYSA-N 424.339 1.973 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)o1 502411030 SHNAEJBHDXTJAE-CYBMUJFWSA-N 420.472 1.213 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1-c1cccc(Br)c1 503625916 HLXYDUALJYMPGT-UHFFFAOYSA-N 417.267 1.536 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)nn1-c1cccc(C#N)c1 506572565 ORGNGWQXICMPNL-DOTOQJQBSA-N 401.492 1.500 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 508847756 LKAKKZVVKLEOBB-CZUORRHYSA-N 422.559 1.199 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508856281 KODHVCXHXMKQMF-QGZVFWFLSA-N 423.525 1.723 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(CC)c1=O 512762104 NMTBHBXZTWWNKT-UHFFFAOYSA-N 408.483 1.541 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3nnc4ccccn34)CC2)c(Cl)c1 519716212 XCJVSWZCKRTWLN-UHFFFAOYSA-N 423.864 1.219 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(F)c1 530531216 WLNVBNVHQUEQFQ-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 540006367 BXPIDCVCVCNBAY-CVEARBPZSA-N 408.524 1.344 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3nc(C(F)(F)F)cs3)CC2)n1 551754607 JILNVNXRMHAZIW-UHFFFAOYSA-N 410.381 1.716 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCCOc1ccc(C#N)cc1)C2 556447224 WZDFXIABUNYBFW-UHFFFAOYSA-N 414.487 1.613 30 10 HDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2nccn(C)c2=O)CC1 559007142 ICMIDLVWWQQVMC-UHFFFAOYSA-N 406.494 1.645 30 10 HDEE Cc1c(C#N)cccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 559036816 BRTSSKJXAXNBSO-KRWDZBQOSA-N 406.442 1.601 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cnc3ccc(Br)cc3c2=O)nc1 569049837 CRBKKBMRKNXZEC-UHFFFAOYSA-N 419.260 1.900 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCCO2)CCO1 573333076 YALHXMRZSDUEHH-KGLIPLIRSA-N 407.434 1.502 30 10 HDEE N#Cc1cncc(S(=O)(=O)NCc2nc(-c3ccc(Br)cc3)n[nH]2)c1 581160779 UWBWMVHXIOILKM-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc21 586315799 PUMXHAYOGDBVKE-ONSXPEOJSA-N 417.487 1.290 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cc(OC)ccn4)CC3)cc2C1=O 591276188 VXQWZMWVPKIQMJ-UHFFFAOYSA-N 406.442 1.835 30 10 HDEE N#Cc1cccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1 611644435 FUSAXPCSPVGEMI-SFHVURJKSA-N 412.471 1.930 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619105745 LDMGHSITPRDQJA-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE C=CCOCCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 679555253 YHGFVTCGLZWAIS-UHFFFAOYSA-N 413.496 1.430 30 10 HDEE Cc1nc(I)c(I)n1C[C@@](C)(N)C#N 725538087 MNJYKNSSTURYSP-QMMMGPOBSA-N 416.004 1.642 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOC1=O 728276419 MJGDSRMHAVLMJP-HNNXBMFYSA-N 422.507 1.098 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 745478761 NKZSRFBXUMVUEX-MUIFIZLQSA-N 404.806 1.448 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 756654261 JVCYFKMCMTVEHG-UONOGXRCSA-N 402.900 1.464 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758750502 FYQRINYAPJJOAD-HZPDHXFCSA-N 417.514 1.006 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cnn1-c1cc(C)ccn1 761056992 ILBIAOLAVGMBRP-QGZVFWFLSA-N 421.505 1.666 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCC1 771077238 UEGIAFYFRSMMJP-MRXNPFEDSA-N 421.494 1.747 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)N1CC(=O)C(=C2N(C)c3ccccc3N2C)C1=N 779753038 UOGKHTNPJBEACC-CHWSQXEVSA-N 413.478 1.102 30 10 HDEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 790008727 LTMWWJNJXQEBLC-UHFFFAOYSA-N 418.493 1.704 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2C)n1 790109320 VZPVTOSNHNXKML-UHFFFAOYSA-N 401.379 1.930 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 791181798 PPXFRFZTDAGSBE-UHFFFAOYSA-N 412.251 1.969 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 793149504 UGDULVSROQIKPX-HNNXBMFYSA-N 404.469 1.633 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 809897336 ZFAXQXZPLYRVRI-CQSZACIVSA-N 406.487 1.051 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 811494001 QBHKWZHIMSRRQN-RTKOGAAISA-N 418.493 1.356 30 10 HDEE N#Cc1ncccc1COC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 813166704 GVWIFVYMJCWBSD-QPGLYAHGSA-N 404.426 1.800 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 816691512 SRFVNUXTEFHOQC-SMDDNHRTSA-N 400.262 1.952 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCN(O)C1=O 816692182 IIROSVMJOMCRFR-INIZCTEOSA-N 409.398 1.211 30 10 HDEE CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 917760648 CRQFNZFGWHLWQI-UHFFFAOYSA-N 407.499 1.629 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccncc1 1084070872 OBRBAVHPPBQVCP-UHFFFAOYSA-N 410.507 1.940 30 10 HDEE CCN(CCN(C)C)/C(=N/[C@H]1CCCC[C@@H]1N)Nc1ccc(S(N)(=O)=O)cc1 1088685013 BNYBOIRAVKKUQN-ROUUACIJSA-N 410.588 1.255 30 10 HDEE COc1c(F)cc(CC(=O)NCc2cccc(OCC#N)c2)cc1S(N)(=O)=O 1116053611 RBPVORBXMZVJCT-UHFFFAOYSA-N 407.423 1.243 30 10 HDEE C#CCN(C(=O)CC(C)(C)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1125953413 FUWDVGACESSWSU-QGZVFWFLSA-N 406.504 1.730 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N(c3cc(C#N)cc(C)n3)C3CC3)CC2=O)cn1 1130965114 PXNABGLELWZDLX-MRXNPFEDSA-N 408.462 1.653 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CC2)cc1 1132099352 ZGHWRGOJAAXTMT-UHFFFAOYSA-N 419.397 1.411 30 10 HDEE CCc1c(C(=O)NCc2ccc(SC)c(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 1133725773 UYMCILZRZMGZIE-UHFFFAOYSA-N 423.498 1.718 30 10 HDEE C=CCNc1ncc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)s1 1136639080 ZBHPTFWNIQNLNO-UHFFFAOYSA-N 420.583 1.051 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1137919807 WHPOCUQZVAPOLP-CABCVRRESA-N 416.565 1.588 30 10 HDEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(F)cc1 1140044234 XYQKVHVFYHLDMT-MRXNPFEDSA-N 422.409 1.949 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCN3CCCO)C2)C1 1141312007 VTKAYTPYIUJUGE-IOANDJKRSA-N 420.554 1.736 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCC2(C1)OCCO2 1152652433 QDOHGSQWNUWZHR-HNNXBMFYSA-N 421.519 1.697 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1154931061 JTFCNFBFVXIVBK-QGZVFWFLSA-N 423.558 1.586 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1158230088 MLEAOVIDISCXAX-SFHVURJKSA-N 412.533 1.192 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2=O)C1 1158428145 ZUAZQAQMCDVCBO-YTQUADARSA-N 424.501 1.998 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1161909773 IDBNWSPAGDJNCP-SFHVURJKSA-N 415.446 1.534 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1164413645 GLUBMACTZVNNKR-HUUCEWRRSA-N 409.508 1.692 30 10 HDEE CCCCCC[C@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166615562 WYIVKLJOLRLDJH-HNNXBMFYSA-N 420.510 1.698 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@@H](c2cc(O)nc(O)n2)C1 1171666531 NMXQHXSCRQGPTO-CYBMUJFWSA-N 405.418 1.373 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1179365847 ADZJTFDWWCFJPT-YJBOKZPZSA-N 401.463 1.922 30 10 HDEE Cc1ccc(F)c(-n2cc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)c1 1179651139 JNHWMUPADPJFNG-KPZWWZAWSA-N 404.423 1.036 30 10 HDEE COc1cc([C@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1S(C)(=O)=O 1181315349 SNFJUTPCVRJTTK-OUIWWDRTSA-N 421.475 1.192 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1205520781 SMQDRDLBVCTNNI-ZDUSSCGKSA-N 407.373 1.554 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CCOCC1 1213765610 MLFZNBGFAPNATM-UHFFFAOYSA-N 407.414 1.168 30 10 HDEE N#Cc1ccc(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)nc1 1229560043 HHPKHUCJJBHBKS-JOCHJYFZSA-N 405.458 1.666 30 10 HDEE C#CCN(C(=O)N[C@@H](C)Cc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1251214167 CBMRURQQSNHGOB-GJZGRUSLSA-N 424.519 1.475 30 10 HDEE Cn1nnc2cc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc21 1277156335 KSKQMSPKUOTVKE-HNNXBMFYSA-N 403.402 1.684 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1286277862 ILFKSRILPXQXLJ-HOTGVXAUSA-N 419.551 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(N2CCOCC2)CC1 1286415282 GCWRBXRKEWKAEA-UHFFFAOYSA-N 423.492 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286429184 HIVCWOTZAKTCIS-OTWHNJEPSA-N 412.538 1.191 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCSCC(F)(F)F 1286465221 KCUXNSHOEDLWKT-GFCCVEGCSA-N 405.446 1.611 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nccnc2C)CC1 1286474291 BUQUXDSAQLXWRV-UHFFFAOYSA-N 412.501 1.913 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286601660 NVLYFJRCEXZGGN-FGTMMUONSA-N 403.527 1.968 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286609823 RLFYBVVYUFPPCM-NRFANRHFSA-N 412.494 1.888 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1286619410 AHQDCNVBRBQHPQ-HIFRSBDPSA-N 417.963 1.894 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286709859 GWQDDGBIHYNMBN-ABHNRTSZSA-N 418.542 1.705 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(C)C)C1 1286778676 CTKQIODWPUHUMH-HUUCEWRRSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2ccc(OCC)cc2C1 1286787349 SLUNDOVUVBVWLM-UHFFFAOYSA-N 419.489 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CC(C)C)C1 1286787998 OCQCNVRAXHPIOH-HZPDHXFCSA-N 409.556 1.355 30 10 HDEE CC(C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287204073 NEDBBBBTLCZOGD-BONDDZEJSA-N 400.483 1.545 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)c1 1291749059 NYKVVWKDXZFBMY-UHFFFAOYSA-N 404.448 1.041 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)cc1 1297054276 KOMZQQYWEMYJDF-SFHVURJKSA-N 413.430 1.459 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1300411775 XDKOLWOOFMOYAH-BFHYXJOUSA-N 420.457 1.750 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1300527026 UGTBJEQDFGVNFH-UHFFFAOYSA-N 422.514 1.335 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1300601336 GDLOZOXLYQUHFE-URLQWDBASA-N 409.556 1.553 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCc3ccccc3-n3ccnc32)cc1 1301116334 LMNPKFWKIDEBNM-SFHVURJKSA-N 421.482 1.826 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301258524 VCOMBCPYHKJMPU-RBUKOAKNSA-N 405.543 1.533 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CCO1 1301361263 OVFGZUOLGAQPFT-MRXNPFEDSA-N 407.421 1.950 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1301519974 ALUKWLLXUKHCAV-MRXNPFEDSA-N 412.494 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1301586686 IAUBMZHUXDQMOE-KRWDZBQOSA-N 422.555 1.179 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)cc1 1302529539 DGUJKDMJZDVPDO-UHFFFAOYSA-N 412.393 1.853 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cnnn2)C1 1302979641 SGGZTMDSGLXWKB-INIZCTEOSA-N 402.825 1.512 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1 1303775206 JIVNMMGGDHPHFY-KCEQMILTSA-N 421.519 1.314 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)C1 1303932894 BHUAHANISZOCAL-KFKAGJAMSA-N 407.540 1.879 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCCC(=O)N(C)C)C2 1304774165 DVUFKWYUGLFNSK-UHFFFAOYSA-N 419.493 1.605 30 10 HDEE CCc1noc(C)c1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1306231879 AQVLJEIQZUERML-LSDHHAIUSA-N 404.471 1.638 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1306478627 BVKFJRKHFSCZAX-NSWPXQNRSA-N 404.540 1.323 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(N=c3cc(C)[nH]cc3C#N)CC2)cc1OC 1306973274 HCANEINPRMGKOB-UHFFFAOYSA-N 416.503 1.966 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(Cl)c(C#N)s1 1307143991 UJZXBWGFGOIRQK-UHFFFAOYSA-N 401.857 1.991 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3cccc4nc(O)[nH]c34)CC2)c1 1308096532 OLFLPBXDZXLLRX-UHFFFAOYSA-N 411.487 1.736 30 10 HDEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1315226319 CNFUKVYZIOZTOW-QRVBRYPASA-N 413.478 1.961 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315780981 NWVOMDDPHDGQCB-BLLLJJGKSA-N 411.466 1.047 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1316537650 FESAZQRAKVJYOV-INIZCTEOSA-N 400.508 1.905 30 10 HDEE C=CCCn1cc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)nn1 1352706219 IQYFCYIVWWAMDY-UHFFFAOYSA-N 403.487 1.658 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cc(CC#N)ccn2)C1 1355712737 PVFQTHAROWBMBU-AUUYWEPGSA-N 420.491 1.368 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1358912300 NZJZSLNMNDQAJB-KRWDZBQOSA-N 407.584 1.951 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962597 SJQDYOJHPZLREG-QGZVFWFLSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(OCCO)c(OC)c1 1358975716 BWFRUMPQWBRIAD-UHFFFAOYSA-N 418.457 1.236 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359054492 XLVHZRHMQBPFHX-UHFFFAOYSA-N 413.507 1.160 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359298202 QRQINUWFCWGJMK-IIBYNOLFSA-N 412.494 1.417 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cnn(CC)c1 1359330147 IUOMGZLYDJDVHE-UHFFFAOYSA-N 417.539 1.737 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)C1 1360784024 XBLNWMXPDRIUPE-KRWDZBQOSA-N 423.930 1.673 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCS(=O)(=O)C3)C2)C1 1444082088 OFFBUAILUQKNNK-LPRCSBTHSA-N 411.524 1.467 30 10 HDEE CCCc1c(C(=O)N[C@H]2CCN(O)C2=O)nnn1Cc1cccc(Br)c1 1450160908 XFSCULDFTYALIJ-ZDUSSCGKSA-N 422.283 1.761 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ccc(C2(C#N)CC2)cc1 1453544394 DGVGMZWQVNXNMQ-JOCHJYFZSA-N 415.490 1.970 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1454216489 AFPQLXOMCGVZQY-KYJSFNMBSA-N 418.469 1.620 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1454932680 BLBCTVRDHKFOFH-RDYUPDBUSA-N 404.467 1.689 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC(CO)(NCC4CC4)CC3)C2)c(F)c1 1457900086 AZKORQFQMUZESN-SFHVURJKSA-N 400.498 1.877 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN3CCOC[C@]3(CO)C2)c1 1460851871 WLOTXTZFXVWZNY-DENIHFKCSA-N 400.523 1.318 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 1466307732 VPWNFMQQECPWCX-LBPRGKRZSA-N 400.428 1.663 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc2c(c1)nc(C1CC1)n2C)c1cc[nH]n1 1467496513 KIRUTBAVNCMIKG-UHFFFAOYSA-N 424.461 1.774 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 1470365026 LVLOJCADYPTNJG-CYBMUJFWSA-N 414.321 1.846 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)C(=O)OC 1475240177 OGDWXYCQBFXJGJ-ZDUSSCGKSA-N 410.261 1.752 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OC 1475577736 AFCHKFNXGOVTIJ-OAHLLOKOSA-N 422.500 1.762 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1475725863 VLPNVVMOWUGEST-VIFPVBQESA-N 403.386 1.779 30 10 HDEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@H]1CCCO1 1476427868 KBJJUBATUJGVTH-JKSUJKDBSA-N 401.448 1.580 30 10 HDEE C#CCC1(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)CCOCC1 1477811989 HINTYVAVTPHOHR-UHFFFAOYSA-N 400.527 1.251 30 10 HDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1503285345 QPGWUXPJLBLOCF-CRAIPNDOSA-N 410.544 1.241 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1503690004 KXALYMPWVMPVQW-QFIPXVFZSA-N 421.505 1.448 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1507654341 ZCPJWNDTGOZNNV-OALUTQOASA-N 417.579 1.373 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1507712617 KCUYYMVLVLUGEC-ZDUSSCGKSA-N 417.539 1.513 30 10 HDEE C#CCSCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507758595 QFKKRJPGVKHWFP-QKLQHJQFSA-N 424.567 1.535 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1507844081 BSSXJLIURGONQJ-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1507875059 ZFCAKCLJLNRMKA-ULQDDVLXSA-N 422.917 1.857 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C(C)=O)CC2)CC1 1507878642 CEEZXKDSSORWEL-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCOCC2)CC1 1507888589 AJIRYJFTMNCMLW-OALUTQOASA-N 405.543 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1508080532 PJYPNTFDECXEJY-HDICACEKSA-N 410.478 1.579 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1508092558 RGESKEMKQXVIOM-QGZVFWFLSA-N 415.542 1.963 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508131806 QGQHBTRGCXQYCJ-IXDOHACOSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508139961 FLXLUQGAOWGGSD-SFHVURJKSA-N 423.583 1.447 30 10 HDEE CCN(CC)CCOCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1515592590 NSABSRPHVVOHOZ-UHFFFAOYSA-N 412.542 1.538 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccccc2)n1Cc1ccc(C#N)o1 1517329722 UXTMCOUHKDTDGJ-UHFFFAOYSA-N 400.464 1.443 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C)c(C)s1 1519449154 LBYBMMKJGVTXQD-ZOBUZTSGSA-N 418.523 1.853 30 10 HDEE COC(=O)c1ccn(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1527920853 HGQVNNMHTWLAQA-UHFFFAOYSA-N 404.430 1.438 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F 1528148326 BXTQDIRVZKYRIW-QGZVFWFLSA-N 410.400 1.676 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1535447052 SPXRJSZIXBVLKC-IUODEOHRSA-N 402.252 1.917 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)nn1 1536917776 AUEGOZPSFVBSQQ-SFHVURJKSA-N 420.832 1.340 30 10 HDEE CCOC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1538385485 QQLSCHXJHVTNSR-ZDUSSCGKSA-N 421.397 1.492 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1539145704 PIDXPBWVHJXELH-UHFFFAOYSA-N 402.886 1.409 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539222650 WYYUQNDVOQDGMW-ROUUACIJSA-N 415.519 1.046 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCCCCC2=O)s1 1540525642 BEMHIPVPKIIASC-UHFFFAOYSA-N 413.565 1.664 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1540868984 YRKHIZYPWORBGZ-APWZRJJASA-N 421.505 1.947 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC(O)CC2)C1 1540888936 BCYMZBWFJZMNMA-IBGZPJMESA-N 415.542 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N(C)C(C)=O)CC1 1540897792 SLVPELXSONDXJY-OAHLLOKOSA-N 411.572 1.840 30 10 HDEE Cc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1542491380 POUNOWAYVFGJAS-ROUUACIJSA-N 410.478 1.736 30 10 HDEE CCc1nnc(S)n1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543983050 ZSRSFSYMBAMJDF-LBPRGKRZSA-N 418.910 1.824 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1545797617 SINCDHPKQGTTFI-GJZGRUSLSA-N 403.545 1.634 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 1552903134 YCVUHJLHWYBJAE-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1555416858 AWQIEWTUSIQONK-RBUKOAKNSA-N 417.445 1.155 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3ccccc3[C@H]2CO)ccc1F 1558512955 LWKOBMXWGSLOFT-QGZVFWFLSA-N 420.462 1.858 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)c1 1559032028 HFBRPRBMKWPEBY-KRWDZBQOSA-N 421.519 1.319 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531418 SBAVYEWTTIBSJZ-QLFBSQMISA-N 408.503 1.239 30 10 HDEE Cn1nc(I)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1568181333 QUKSQIIHBPSXME-UHFFFAOYSA-N 400.176 1.074 30 10 HDEE C#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)cc1 1569258117 RMQOMZWFYRBSGY-UHFFFAOYSA-N 404.513 1.805 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nccc(C(F)(F)F)n2)c1 1570364973 GVYANBMTGLWZJU-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 1583821110 UUFJNPCYBZZIFC-YCRPNKLZSA-N 408.495 1.816 30 10 HDEE C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H](C)COC 1584372441 SSTRPNKXNQPMPZ-GOSISDBHSA-N 409.552 1.351 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N(c2ccccc2C#N)C2CCC2)n(C)c1=O 1586217600 HKMGGCIFQIYIQE-UHFFFAOYSA-N 406.446 1.281 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1588049984 OSZYTZZZKLHDPK-KRWDZBQOSA-N 414.535 1.162 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588053320 CKENWZFJLMRIFI-FGTMMUONSA-N 424.567 1.817 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)c2S1(=O)=O 1588106478 UMLQXVFOPRCFMC-CYBMUJFWSA-N 413.381 1.422 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCOCC1 1588155666 TYXNEBGKNOUVMW-QGZVFWFLSA-N 412.563 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1588200601 XCZRDBOZQFRVOY-UHFFFAOYSA-N 414.469 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CC1(C(N)=O)CCOCC1 1588210846 PNZZDWGIRVNEHD-UHFFFAOYSA-N 409.465 1.829 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1594949369 YTSCRURTKWJYGQ-DLBZAZTESA-N 414.510 1.826 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595556304 QULVYHGWFZOMQC-QFBILLFUSA-N 412.513 1.983 30 10 HDEE C=CCn1c(SCC(=O)N[C@H]2C[C@H](O)[C@H](O)C2)nnc1-c1ccc(Cl)cc1 1596717380 NATWQDXFAVDPGF-QKDCVEJESA-N 408.911 1.877 30 10 HDEE CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1596979017 VCYLBNBNXJJAOI-KRWDZBQOSA-N 413.503 1.968 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1598062060 CFBGSXNRLGRKGL-SFHVURJKSA-N 423.521 1.681 30 10 HDEE C=CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1616934815 ZYZVFVRQXSCPNB-UHFFFAOYSA-N 424.519 1.571 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1619289558 HRSYVORRZAEQIX-AWEZNQCLSA-N 413.482 1.457 30 10 HDEE COc1cc(Br)c(N)c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1 1623197382 MSBHEUTWBSUCCP-UHFFFAOYSA-N 407.272 1.922 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NC3(C#N)CCCC3)CS(=O)(=O)[C@H]2C1 1627351917 PUYWBKJYDJFYTF-ZNMIVQPWSA-N 411.524 1.609 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1628849722 MVDUOTKNLMRYRR-CYBMUJFWSA-N 414.243 1.242 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](O)C12CCC2 1629400348 ITYLMNNCFMVJCY-UAGQMJEPSA-N 405.520 1.560 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](OC)c1cccc(Cl)c1)c1cc[nH]n1 1629954353 QYUYIIWPFZEMQZ-OAHLLOKOSA-N 408.842 1.851 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1631262717 XPYVUXYLXXHBSK-JKSUJKDBSA-N 408.499 1.470 30 10 HDEE CCN1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc2S1(=O)=O 1632218863 MHEHIGRFJLVQRL-QGZVFWFLSA-N 413.455 1.528 30 10 HDEE C[C@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCS(=O)(=O)C1 1632938745 DCISRXMJZPKGCO-NSHDSACASA-N 401.282 1.593 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(CO)C[C@@H](OCC)C2(C)C)s1 1633086525 DULUGTQCNBALLT-KDOFPFPSSA-N 416.565 1.437 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)cc1 1635174631 LUFBQQJGVQBVSD-HXUWFJFHSA-N 415.515 1.946 30 10 HDEE C#CCC1(NC(=O)NCc2nn(C)cc2I)CCOCC1 1635211730 PGEWTZPOZDBCFY-UHFFFAOYSA-N 402.236 1.396 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635472678 XUHMWSHHPNESCL-VQIMIIECSA-N 421.563 1.689 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 1635904757 YFEBREAKXGRSCU-MRXNPFEDSA-N 413.540 1.366 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccn3c(I)cnc23)C1 1638075397 QRRHCFHGBWGUKA-LBPRGKRZSA-N 408.243 1.766 30 10 HDEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1638164859 PICZGKJNPHGTAA-CALCHBBNSA-N 416.588 1.660 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CC1 1638655792 DCCJTSDCTMISML-HXUWFJFHSA-N 401.463 1.392 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)NCC2(C#N)CCOCC2)cc1Br 1640486943 FQGNIWNQOHIUND-UHFFFAOYSA-N 401.282 1.903 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1641041005 QJWKCLLMVDIQJU-NSHDSACASA-N 405.248 1.420 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)c1 1642022777 GRRAAGZUSCEXML-GXTWGEPZSA-N 404.410 1.780 30 10 HDEE COC(=O)c1ccc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c(C#N)n1 1642257669 ASGOGCMNVHIHGV-UHFFFAOYSA-N 419.485 1.841 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(C(=O)OCC)no2)ccc1F 1642950442 DSEJGVUVEISLCH-UHFFFAOYSA-N 411.411 1.385 30 10 HDEE COc1ccc(CN(CCO)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1643524462 DHGUYPBKSDDPDS-UHFFFAOYSA-N 417.487 1.522 30 10 HDEE C#CCSCC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1647846777 CZTNKVRKMOTOGG-UHFFFAOYSA-N 400.548 1.435 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1648020949 LUDWMIXJNXYQKP-IYBDPMFKSA-N 407.492 1.645 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOc3ccccc3[C@@H]2C(=O)OC)c1 1648519928 IPQRHFSNMGXHIA-HXUWFJFHSA-N 407.426 1.925 30 10 HDEE Cn1c(N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(C#N)c(=O)n(C)c1=O 1652214532 FDGFDTUDDBQCFJ-UHFFFAOYSA-N 409.368 1.417 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1 1653585271 TZXVSGCOIIAFOS-OAQYLSRUSA-N 400.500 1.986 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@](O)(C3(C(=O)OC)CCC3)C2)c1 1655701264 DOZLKGQEABACQO-QFIPXVFZSA-N 413.474 1.486 30 10 HDEE CN(C)C(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1655709542 UFURLNJBTMMLHE-AZUAARDMSA-N 415.513 1.335 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1665180432 YAJUDHNMADZMEB-UHFFFAOYSA-N 413.565 1.003 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 1670200858 TVRGPVBRMORCED-UHFFFAOYSA-N 418.515 1.951 30 10 HDEE N#CCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1671592346 XMVLZMHCPUOKKP-CYBMUJFWSA-N 412.231 1.777 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCN([C@@]4(C(=O)OC)CCOC4)CC3)cc2n1 1680704455 VRQHWKGNKIVYQI-NRFANRHFSA-N 413.478 1.704 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1684698727 UOEZRJDYCCFDAN-JCNLHEQBSA-N 406.504 1.978 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)C1 1685176951 HRIAWVNATYJSJD-QGZVFWFLSA-N 415.494 1.923 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CCNC(=O)c1cc(C#N)c[nH]1 1685835335 NBDWYULBYCMYOF-TZQYPOLLSA-N 400.479 1.152 30 10 HDEE COCCC[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686355639 DZSBQLGCOGBJEZ-BJLQDIEVSA-N 405.520 1.604 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CC[C@](F)(C#N)C2)C1 1687572269 MNDBWKUVWLFGSU-GUYCJALGSA-N 418.491 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1689843243 ROTQZUTYKVQPLB-JSGCOSHPSA-N 410.434 1.120 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCCOC 1689848249 RHILPIIHGXSBEG-MRXNPFEDSA-N 424.505 1.703 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1689946355 PSBQHGZAOXGLDP-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1 1690047755 YEZBWAUXQPHREH-OALUTQOASA-N 418.563 1.992 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)cc2OC)CC1 1690120065 FEOKXPYMNMDFCA-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2CCN(CC)CC2)CC1 1690125852 PRDNRLBNBCTKMX-UHFFFAOYSA-N 401.603 1.259 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(OC)cc2)CC1 1690134922 LBISUPUMYPIIFH-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1690265966 WTIMQTLBBRUTEV-PVPMGCCUSA-N 414.597 1.884 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1690287702 QAWGLWLFJCRNOJ-GFCCVEGCSA-N 415.470 1.249 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 1690299532 WASKXESHLGMGHH-INIZCTEOSA-N 400.483 1.991 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1690622239 LBFOHRICIZNIFV-LJQANCHMSA-N 420.602 1.837 30 10 HDEE Cc1nccn1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1693390608 BRTKPYKKOYXWOW-QGZVFWFLSA-N 417.539 1.515 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)noc2C)CCOC1 1696084559 BWXVIDAKXQNPFL-DNVCBOLYSA-N 402.455 1.312 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1696622964 HSGMJJKOLFPXME-UHFFFAOYSA-N 424.477 1.944 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697922920 DWSNFALPSVEDGF-OAQYLSRUSA-N 413.526 1.782 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2)CCO1 1698492242 ABMWJYFPRGHMAE-IRXDYDNUSA-N 412.519 1.891 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1705551782 QYVPTHTYQVGZAZ-KRWDZBQOSA-N 418.567 1.993 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705553549 ZCFBAMMHGPHNSB-ROUUACIJSA-N 402.543 1.532 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705565077 SEFVLHIWRJSJGZ-LJQANCHMSA-N 415.563 1.912 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC=C 1705624801 POMFUEYFQOXYIN-UHFFFAOYSA-N 411.462 1.105 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1705628385 FIXMEJOYBCJCCP-IBGZPJMESA-N 418.586 1.284 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ncn(C)n2)CC1 1705633112 JDQDPSCAZLLFKY-MRXNPFEDSA-N 424.484 1.489 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705733753 YCGFQACUUWRRCJ-OAHLLOKOSA-N 400.458 1.891 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705829028 FKVKIOQIGBNEOO-HZPDHXFCSA-N 404.515 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](COC)C1 1705932160 NNFICGWFJWRORD-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC1CCOCC1 1711267352 NFXUIAISPZHEIJ-QGZVFWFLSA-N 400.483 1.598 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1712416253 GLYYHTOKIOWMMX-GOSISDBHSA-N 401.467 1.617 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1722333724 YSHIJBBHEJADKU-IAGOWNOFSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCN1CC 1722350404 YTGAOAQBEKRNPA-MRXNPFEDSA-N 405.506 1.746 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722362285 SIRMSIFCYDZWGI-SJORKVTESA-N 417.535 1.337 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722397961 XVDYLWGBADKKPN-QZTJIDSGSA-N 403.552 1.508 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cccc(C(N)=O)c1 1722424890 DBQUWYWLWMZFDQ-UHFFFAOYSA-N 405.462 1.163 30 10 HDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1722540072 ARZOHGFMVRXGDY-ROUUACIJSA-N 408.506 1.905 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1 1722540252 AZDIOAYGXBPHJC-UHFFFAOYSA-N 401.920 1.280 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722652091 BYODSPZXKOYNKD-INIZCTEOSA-N 416.551 1.700 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@H]2C)C1 1722720619 NBDUTOSHCVCURQ-CBGDNZLLSA-N 403.527 1.733 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(CC)Cc1cnn(C)c1 1722729076 WRAFOHWGALVIAV-INIZCTEOSA-N 408.528 1.143 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722731744 QOFPQIRFOCWJRD-APWZRJJASA-N 412.556 1.908 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)CCOC1 1722863281 JCROOCRSRANHJD-UIAACRFSSA-N 404.515 1.393 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1723645020 SFFBJAOGNITQLZ-UHFFFAOYSA-N 418.523 1.212 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1726612570 AHHRWQPYPXONIW-NEIYXTIMSA-N 400.483 1.543 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H](C)CC#N 1729226308 MNGAOWTVLNHSDG-LBPRGKRZSA-N 411.557 1.312 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)C1 1731179685 FIGNWNBBKJPFOS-WAOWUJCRSA-N 420.533 1.851 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1740609988 RCNLSMGPOBGQQQ-KRWDZBQOSA-N 416.551 1.539 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CC1 1740691671 APSDWFHJAAGCBO-UHFFFAOYSA-N 412.519 1.007 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CCC2)CC1 1740691823 AAAJNNOTCWFHLY-OAQYLSRUSA-N 419.595 1.971 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C)n(C)c2=O)CC1 1740693654 GWFIJJQIGPUTKR-UHFFFAOYSA-N 420.492 1.895 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(C)cn1 1740724664 GSHOPYPTGWSCRY-CRAIPNDOSA-N 405.528 1.086 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740786991 VYQNLZULHHSVIJ-UHFFFAOYSA-N 406.531 1.568 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1740951461 GHTBIHCZPDFKKY-UHFFFAOYSA-N 412.494 1.372 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1740958301 MTTKNDMEGWYDCN-QGZVFWFLSA-N 401.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(CN(C)C(C)C)CC1 1740960636 WQKZAJJCKWTTAO-GOSISDBHSA-N 404.559 1.641 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)NC)C1 1740978592 YPHVYTIYBRTRBC-INIZCTEOSA-N 415.494 1.880 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1741700042 FTSMGLGBIJSFEZ-GOSISDBHSA-N 421.505 1.794 30 10 HDEE CC1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1743122991 BUWNSHFOKLTIHY-JXXFODFXSA-N 403.506 1.792 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748715918 TVRHYCUDVIIYJH-HOTGVXAUSA-N 412.498 1.117 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1748730513 MPBLUKLOVDDIIQ-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748809300 RNULITVWYYQWKZ-QGZVFWFLSA-N 416.503 1.820 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748811136 CEABSDFHNGLKQV-UZLBHIALSA-N 417.535 1.479 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748814953 MAMCDAJYLGDAKN-INIZCTEOSA-N 415.519 1.190 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1748817961 UCSOTUYGWINSKC-LJQANCHMSA-N 416.547 1.644 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1748830267 SHXQWVYDDJNUPM-OAQYLSRUSA-N 411.462 1.026 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)CC1 1748990658 YZHAMJSGSBSMDI-MRXNPFEDSA-N 414.535 1.029 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C2CCCCC2)CC1 1748991189 SESRZARGVGGINF-IBGZPJMESA-N 413.570 1.249 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H]1CCOC1 1749024368 ONFUDWSZUNPPOZ-INIZCTEOSA-N 420.560 1.940 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cncn2)CC1 1749032486 JCMQRTHQJXDBRW-UHFFFAOYSA-N 411.539 1.553 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749033450 GBULAOFXPLSTIE-MRXNPFEDSA-N 423.502 1.131 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1749085436 BKPUYCIBSQOZJV-OLZOCXBDSA-N 400.277 1.639 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749335785 TUYLNSFCIXMEBS-UHFFFAOYSA-N 419.551 1.626 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749450776 SWRSAUORBULPTO-INIZCTEOSA-N 404.515 1.164 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C 1760102588 MZNZFBMTTYDSGT-CQSZACIVSA-N 403.508 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCOC 1760114611 PTRIAOJPCNFECH-LHSJRXKWSA-N 410.478 1.839 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc(C)o3)n2CC(=O)N(C)C)c1 1760124642 AAUGUCOZADRCPL-UHFFFAOYSA-N 420.473 1.991 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1760183095 MCKNAECLWJGBOS-CQSZACIVSA-N 423.926 1.391 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCn3ccnc3C2)CC1 1760265123 OKGNTAUWZVNUQV-QGZVFWFLSA-N 409.538 1.826 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCSC1 1760330256 WSLOPTHCTSXSRX-XJKSGUPXSA-N 403.574 1.159 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760352089 ODPVXXLNVFIPSO-UYAOXDASSA-N 418.586 1.983 30 10 HDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1760452103 FBBRMQFRIYJIAB-UHFFFAOYSA-N 418.523 1.141 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760517487 NTKYZFGBUMQWKQ-IYBDPMFKSA-N 405.886 1.751 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](COC)C1 1760526813 ULFZUDBGCOZXBG-GOSISDBHSA-N 415.494 1.319 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC(C)(OC)C1 1760552051 AFLLMFQUKNNAJZ-UHFFFAOYSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)CC(C)(C)C1 1760553463 CZZJSJPQHFQKBC-CABCVRRESA-N 409.556 1.702 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760677115 ATKYMDGXZAYOSQ-NRFANRHFSA-N 423.477 1.374 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1766229050 GXTNCXRCJFCOPH-ZDUSSCGKSA-N 401.471 1.660 30 10 HDEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CCC1 1767188830 JPDCJWBOBWLELG-JKSUJKDBSA-N 420.514 1.037 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(C)CCC1 1767389854 OPLSWMMFWRZIPJ-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1767526447 AZHZSKHHUQGBKU-LJQANCHMSA-N 424.553 1.019 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1767575502 MEBVWUFFKAQANB-YCRPNKLZSA-N 412.494 1.441 30 10 HDEE COCCN1C(=O)COC[C@@H]2CN(C(=O)c3cc(CC#N)ccc3Cl)CC[C@@H]21 1848944310 WXOJCLOLZUGWMC-YJBOKZPZSA-N 405.882 1.742 30 10 HDEE CN(C)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1850298491 NVNWHRXLMWITMT-MRXNPFEDSA-N 417.453 1.540 30 10 HDEE Cc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)cc1 1851620291 QBKQQOYFBMQZBX-MRXNPFEDSA-N 406.490 1.934 30 10 HDEE N#Cc1cnc(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c(Cl)c1 1853014786 JLKYWDPCOGCJRW-UHFFFAOYSA-N 404.879 1.725 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1=O 1853682357 KIDSJCBCUJAESC-SJORKVTESA-N 409.490 1.493 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C3CC3)on2)C1=O 1854098650 HYEOSEDNYDSDFE-SJORKVTESA-N 400.479 1.792 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CC(c4nc(C5CC5)no4)C3)C2=O)ccn1 1854108267 FQTVSMONUVEGCL-KRWDZBQOSA-N 406.446 1.834 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@@H]1C 1854725876 KQJJTEADLIUBCI-YJBOKZPZSA-N 423.510 1.614 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCSc4ncccc43)CC2=O)CC1=O 1854921880 CIZWIHLSJIWMCS-CABCVRRESA-N 400.504 1.403 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)C1 1855022715 GYFHBWXDXISIDU-WMLDXEAASA-N 416.453 1.735 30 10 HDEE Cc1noc(C)c1CN1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1855105289 YTDYPOKCPBPKIR-HXUWFJFHSA-N 407.474 1.722 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)COc3ccc4ccccc4c3)C(=O)C2)C1 1855121186 QCLQDAGAZJKKMM-HXUWFJFHSA-N 406.486 1.877 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1 1855546225 OJKFVDLOODAMLH-MRXNPFEDSA-N 423.510 1.473 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CC(COc4ccccc4)C3)CC2=O)CC1=O 1855793263 ULRXCSWECAZBAE-MJGOQNOKSA-N 411.502 1.407 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCN1CCC#N 1856178916 PYIVKWBLSWCHRO-LBPRGKRZSA-N 406.368 1.873 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccccc3F)C2)CC1 1857026153 IDOSDSXLUXIBDR-QGZVFWFLSA-N 421.494 1.699 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC)c(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857268749 DDCUESMZZNZRBD-NVXWUHKLSA-N 415.490 1.411 30 10 HDEE CN(Cc1cnn(C)c1)[C@H]1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1857275611 JOYFJLMNVPOIPT-VQTJNVASSA-N 406.490 1.239 30 10 HDEE C#CCN(CC(=O)N(C)Cc1c(Br)nnn1C)C(=O)OC(C)(C)C 2010380502 FCNLXNGNWKXJFB-UHFFFAOYSA-N 400.277 1.406 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)C1 2054405912 QACLRRODAWAIGZ-QGZVFWFLSA-N 406.508 1.858 30 10 HDEE CC(C)(C#CC(=O)Nc1nc(O)nc(O)c1Br)NC(=O)OC(C)(C)C 2082804437 NFMIJZDMYQCORN-UHFFFAOYSA-N 415.244 1.896 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC2(CC1)COCCN2C(=O)OC(C)(C)C 2174773094 RBOLVZMLRYDGAT-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174786351 JBUHAOGZKREOPZ-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 2180103980 KCLQUFKUXQLOBY-NEPJUHHUSA-N 412.430 1.481 30 10 HDEE CC[C@](NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(C(=O)O)C(F)(F)F 2180572312 MPKVAEMIOCOZSL-SFYZADRCSA-N 406.201 1.898 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2201843894 JKLIXHFIGZYMFI-KBPBESRZSA-N 404.529 1.100 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br 2237185994 BDKCSNCDVRTJKU-VIFPVBQESA-N 424.114 1.817 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)CCS(C)(=O)=O)s1 2237649566 GFAHXPFKCBQJOC-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE C=C(Br)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2241754266 ATSUYQJILKKAOA-LBPRGKRZSA-N 421.269 1.194 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684961 KFMJLAXHZOGPFU-LLVKDONJSA-N 424.332 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2247863724 VPTLQYPXOCLVRA-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE CC[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247908548 WKAPNZMAVCHQGF-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C=CCCC1(C(=O)Nc2nnc(S(N)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 2280945051 WCVLJEQVTVOVCI-UHFFFAOYSA-N 417.513 1.327 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(S(C)(=O)=O)CC1 2281967204 WFWCDPKXANCDHW-UHFFFAOYSA-N 400.331 1.058 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282311434 IJHSDUYAWXRRBH-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CNCCN(C(C)C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282316190 YWLJIUPJIKGDEX-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCCS1 2282335539 QTLCCEGOKLWZSA-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCN2CCC2)OC1(C)C 2282408929 LFRYRADSZOTPOB-UHFFFAOYSA-N 400.375 1.563 30 10 HDEE C[C@H]1CN[C@@H](C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496480 BMOIBTSNJZYZCA-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@H](CO)C2)OC1(C)C 2282497427 PMSOMYWVANAPPQ-GFCCVEGCSA-N 401.721 1.642 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@H](N)CC2)OC1(C)C 2282506039 MKSRROWRBOIDIA-HDJSIYSDSA-N 400.375 1.737 30 10 HDEE CC[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506650 VNWIOVAZOIPRQD-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE C[C@H]1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282852495 PZCLGUCAUYZFEB-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2CC[C@H](N)C2)OC1(C)C 2282883707 DYLYUVQVFGTNOH-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(CC(=O)O)C2)OC1(C)C 2284395676 OFJHJBLIXWXHEX-UHFFFAOYSA-N 401.315 1.284 30 10 HDEE CCCN(CC(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284399720 NOHPMENSPOQOBA-UHFFFAOYSA-N 404.319 1.069 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284406028 SRKXBXKEFUZFDQ-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC2CC2)C(=O)O)OC1(C)C 2284409186 GDZVIRIHYHANEY-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284416215 VOKOQNFCUDCOLJ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2342049295 SQTORJXVHLQGGS-NLWGTHIKSA-N 421.515 1.744 30 10 HDEE C=CC[C@H](NC(=O)NCc1c(Br)c(Br)nn1C)C(=O)O 2364436419 RMTXOIRWIWKLLH-LURJTMIESA-N 410.066 1.774 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365198837 JDASXSKYQGHBST-UPJWGTAASA-N 410.483 1.146 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365204847 OZIJOJXICWFJTH-JYJNAYRXSA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207577 PPHUMCFMVFEJGE-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2)C1 2365408065 MKLADIAPSFWTLJ-IFXJQAMLSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367801664 VCWUYKRDEQXYRV-HZPDHXFCSA-N 401.525 1.592 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2367815478 GUUMQDGHZYEVGN-LIRRHRJNSA-N 400.541 1.306 30 10 HDEE Cc1ccc([C@@H](C#CC2(S(C)(=O)=O)CC2)NN)cc1I 2367856008 NHQMLGRSJBSQFI-CYBMUJFWSA-N 404.273 1.685 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](C)(C[C@@H]1CCCS1(=O)=O)C(=O)O 2377814708 HIJFXLWPHUDDGE-KSSFIOAISA-N 404.529 1.858 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(-n2cncn2)cc1 25693167 OBJYHBVFCIOKTI-OAHLLOKOSA-N 424.486 1.950 30 10 HDEE C#CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C(C)C 36207230 IMTFQNMRBXJVDP-AWEZNQCLSA-N 421.519 1.691 30 10 HDEE C=CCn1nnnc1SCC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 52911508 DBGNFJURFXVXBG-UHFFFAOYSA-N 402.528 1.522 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)NCC#Cc3ccc(C(N)=O)cc3)[nH]n2)c1 96347924 UITUWOFLXXBJRU-UHFFFAOYSA-N 404.426 1.974 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 96348685 IOSNYSWMHSHQFO-QGZVFWFLSA-N 405.454 1.576 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(-c3cccnc3)no2)CC1 97000517 RURYCBYZCONVLB-UHFFFAOYSA-N 410.459 1.510 30 10 HDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccn1 103119895 GIZRRFKBHAEGOL-HQMFNGAOSA-N 409.442 1.836 30 10 HDEE C#CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)[C@@H]1CCS(=O)(=O)C1 111047705 PZKQQJQKTRCRDE-MRXNPFEDSA-N 418.471 1.984 30 10 HDEE N#CCC(=O)Nc1ccccc1CNC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219699602 XFXQYTZVPDFDCS-UHFFFAOYSA-N 421.369 1.359 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)C[C@@H](C)C#N)CC2)cc1 409562564 MQUHVMICKFVVTC-HNNXBMFYSA-N 408.524 1.616 30 10 HDEE Cc1csc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 435616692 MKOSQEZVFYZUTB-UHFFFAOYSA-N 404.517 1.789 30 10 HDEE CNC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 435948369 OWBKWKFOTJJKHC-QGZVFWFLSA-N 414.487 1.404 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CCN1Cc1ccccc1 440066577 XJHFGXMWBZZISS-HXUWFJFHSA-N 417.469 1.598 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 440383825 NXPVNCWJKIGAPD-AWEZNQCLSA-N 401.488 1.018 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-c3cccc(OC)c3)cc2)C1=O 460474215 FALJOABPZAEPMX-UHFFFAOYSA-N 407.426 1.955 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)cc2C1=O 461325290 USVWMLNOOBFUIA-UHFFFAOYSA-N 412.409 2.482 30 10 HDEE CS(=O)(=O)Nc1ccc(F)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461755672 MEAZHVNARAQFKI-UHFFFAOYSA-N 400.395 1.902 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4ccc([N+](=O)[O-])c(C#N)c4)CC3)C2=O)n(C)n1 472477459 MGXYWFBBVVHSMV-IBGZPJMESA-N 423.477 1.826 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4cccs4)C3)CC2)o1 472832639 RXUSFLATCMCUCR-INIZCTEOSA-N 401.492 1.638 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1cc(C#N)ccc1Cl 479521734 JBGCDLXXLSGPMN-UHFFFAOYSA-N 411.892 1.871 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CCC(=O)Nc1sc3c(c1C#N)CCC3)C2 483074532 FBSYDIMKKHEMMG-RNODOKPDSA-N 403.504 1.949 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 489914779 BBEIFRIJMWDKQA-QAPCUYQASA-N 418.457 1.915 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506581112 XFBNPAXVYWNKFB-IBGZPJMESA-N 414.554 1.042 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 507299474 BROKVTYJZKFFJR-SJCJKPOMSA-N 416.521 1.261 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@](C)(CO)c1ccc(Br)cc1 511253426 SLOKSJFEMJVXAC-SWLSCSKDSA-N 404.330 1.973 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)cc2C1=O 531551739 STTKVZHUSFNWRS-UHFFFAOYSA-N 410.451 1.728 30 10 HDEE C=CCN(CC(=O)N1CCC(NC(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 532718492 QPPYZRMAGWPRBX-IBGZPJMESA-N 419.547 1.083 30 10 HDEE COc1cc2c(cc1CN1CCN(S(=O)(=O)c3ccccc3C#N)CC1)OCO2 545561213 HRFCWVMCDDXLNE-UHFFFAOYSA-N 415.471 1.802 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 549657595 FWHVMCMTTNHWEL-SJORKVTESA-N 405.499 1.017 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 555238433 RFLFNKUXGQVTFB-HNNXBMFYSA-N 404.492 1.924 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CCO1 555409144 DSODCJNTNLYQSG-QZTJIDSGSA-N 411.462 1.764 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)CC2)n1 562149320 BNIUZGPYHUPDRL-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE N#Cc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(F)c1 609253102 UJVRNTSVKWZSML-UHFFFAOYSA-N 410.453 1.630 30 10 HDEE O[C@@H]1CN(c2cc(C(F)(F)F)nc(N3C[C@@H](O)CC(F)(F)C3)n2)CC(F)(F)C1 682475863 DPBCHPMTOXNAOB-IUCAKERBSA-N 418.313 1.908 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C3CCC(=O)CC3)s2)OC1(C)C 714637773 METVVYKZJMBYNG-UHFFFAOYSA-N 400.331 1.373 30 10 HDEE C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 726981291 PPUPPAKOOOTJBK-ZDUSSCGKSA-N 400.460 1.537 30 10 HDEE C#CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 729334309 MCMHVSJVMOWWER-AWEZNQCLSA-N 412.489 1.486 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1cccc2ncccc12 732155885 HUFIXCZNRQBQDP-VZCXRCSSSA-N 417.429 1.380 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCN1C1CC1 732648813 IIHXZBAYCUMBKL-GOSISDBHSA-N 402.520 1.720 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1F 732649202 QQMGFEFGYRBXAL-INIZCTEOSA-N 408.499 1.669 30 10 HDEE CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 737305132 FMNXNAKCSHLPQQ-NXVVXOECSA-N 406.826 1.320 30 10 HDEE CCCCN(C)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 737305178 HIJAKUWUPBFQGA-VHEBQXMUSA-N 413.478 1.504 30 10 HDEE COC(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 742465193 IFBISXFJONKJSF-ZDUSSCGKSA-N 415.471 1.607 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 744839679 KHBBHALVRWXHRH-ZVZYQTTQSA-N 401.463 1.617 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3ccnc(C#N)c3)C2)CC1 749528377 GCTMBKDFCXKQEB-UHFFFAOYSA-N 421.523 1.020 30 10 HDEE CCc1c(C(=O)OCC(=O)c2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754350691 MIQFGKHWZSSXGH-UHFFFAOYSA-N 406.398 1.106 30 10 HDEE COc1cccc(-c2nsc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)c1 757960345 NZVZRMLSYVRMMX-JQIJEIRASA-N 414.447 1.862 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767829217 BOGYKHCDLMYJNX-JTQLQIEISA-N 402.266 1.456 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=NOC[C@@H](O)COC(C)C)CC2)cc1 768303079 SSCQVKVCIYXXQZ-INIZCTEOSA-N 400.497 1.638 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 773880256 YORKBGPUGAJMKT-OAHLLOKOSA-N 409.446 1.464 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 774250422 MBSVKOAGKHIYRQ-MOPGFXCFSA-N 417.531 1.052 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 778329146 FHWFREQAXXFINU-SJORKVTESA-N 408.543 1.468 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 780204705 IBJVDZMWRBMXQW-HKUYNNGSSA-N 420.487 1.093 30 10 HDEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 781393929 AVMQSZQQFKEGCJ-UHFFFAOYSA-N 407.426 1.711 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884387 NPMFUOYUCWDSIX-NSHDSACASA-N 420.388 1.572 30 10 HDEE N#CC1(NC(=O)COC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCC1 784208582 FFHJMBUKHLFILI-CYBMUJFWSA-N 411.505 1.397 30 10 HDEE C[C@@]1(C#N)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 784450819 AKDAZROIIJDLIP-OMKLEDIQSA-N 416.547 1.757 30 10 HDEE C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1(C#N)CCC1 787554428 GQTRCCIDCVRHKS-HNNXBMFYSA-N 419.503 1.581 30 10 HDEE CCC[C@H](CCCS(C)(=O)=O)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 789436549 SQXHGRBRVWMEPE-OAHLLOKOSA-N 400.522 1.913 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2)CCN1C1CC1 802124379 LNZJXROXERCBCC-LJQANCHMSA-N 405.506 1.739 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 805123753 AHPIZSHMEIDXMK-KBPBESRZSA-N 415.446 1.895 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(F)cc3)n2)o1 1084136553 GJRJZRNYSOACDT-UHFFFAOYSA-N 404.431 1.744 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1128015403 GUDLEZJKBDBSLP-NRSFXHEJSA-N 401.488 1.526 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2sccc2C#N)C1 1133630313 JGQFCNKXSQIGCG-CYBMUJFWSA-N 413.521 1.774 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)O1 1133996710 LPUZLUAFRYTFCL-GSEOLPGOSA-N 413.474 1.333 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(I)c3)C[C@H]1CS(=O)(=O)C2 1134056602 SHWQNCUXBDCETR-CABZTGNLSA-N 422.269 1.363 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)n[nH]2)c1C 1137892392 NWHDKNNLMXANDR-WMLDXEAASA-N 400.483 1.442 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1141778505 BOTRJRFSDGHXME-MRXNPFEDSA-N 410.492 1.270 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(N4CCCC4=O)CC3)C2=O)cc1 1144814137 AINANRNBHJGXCZ-SFHVURJKSA-N 423.473 1.377 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NOc3cccc(C#N)c3)CC2)cc1 1151431500 ASDVTIXMUKJKIP-UHFFFAOYSA-N 414.487 1.283 30 10 HDEE CO[C@@H]1COCC[C@@H]1N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1175750429 UEHISNCZTIETAH-XUVXKRRUSA-N 404.486 1.270 30 10 HDEE C=CCC1(O)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1 1177699291 UMWDRSCAJFSSDO-AWEZNQCLSA-N 414.549 1.437 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1CN(C)CCN1C 1213799315 AXURGYYQTNCKOV-NHYWBVRUSA-N 401.330 1.233 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1214150864 PUXJZOSCDGHGDY-AWEZNQCLSA-N 417.915 1.810 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(Br)cc1 1230498672 HSAADAYAJPGXDO-INIZCTEOSA-N 416.279 1.915 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCC(C#N)(C(=O)OC)CC1)Cc1ccc(F)cc1C 1252285928 BXHFYNULFVSFFA-MRXNPFEDSA-N 418.469 1.527 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286271042 QEHKWPDEXHCQRE-GJZGRUSLSA-N 412.460 1.856 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286292757 JFVKLRAMLYNEKE-KGLIPLIRSA-N 404.515 1.990 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1286390120 XNGYXUUQJJAEEU-AWEZNQCLSA-N 414.516 1.472 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOC 1286407832 SFKPXEOOAHYEJQ-LJQANCHMSA-N 421.501 1.684 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCN1CCN(CC)CC1 1286429021 QHLDMYQNAWEHRP-UHFFFAOYSA-N 419.577 1.754 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C 1286750483 BDTZTOGCQJJSGX-GOSISDBHSA-N 410.588 1.367 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1286753706 GYXLXBOHCFTIOP-STQMWFEESA-N 405.471 1.491 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCO[C@H]2C)cs1 1290408981 OTFBTZIJMMIRSQ-ORAYPTAESA-N 402.524 1.914 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)CCC2=O)cn1 1294976277 MVHPIMVJFKHSAE-OAHLLOKOSA-N 422.489 1.635 30 10 HDEE C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nncn1C 1296585143 NGPFVRIMXDVNQV-LLVKDONJSA-N 403.284 1.805 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)NCc2cc(F)c(C#N)c(F)c2)CC1 1296837905 MXFFZRHDXIJPJR-UHFFFAOYSA-N 409.433 1.791 30 10 HDEE CN(C[C@@H](O)c1cccc(Br)c1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1299320503 AOGYZRJMZAAHLJ-BQASMSSTSA-N 422.279 1.857 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncn(C)n2)cc1OC 1300040864 FLOJJBMBZWCWSG-IBGZPJMESA-N 412.429 1.581 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 1300392697 HJWRXQGZEVLTNE-LJQANCHMSA-N 419.478 1.948 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300400783 LABXFTMZXONZQQ-UHFFFAOYSA-N 402.524 1.519 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1300411396 HUUXAJTVJGGPLO-SFHVURJKSA-N 423.583 1.521 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1300508818 ABESHLLPSVCEKO-CYBMUJFWSA-N 406.899 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cnnn1 1300511356 HTAXQQDBADMIMC-UHFFFAOYSA-N 412.461 1.485 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnnn1CC1CC1 1300590395 AVEYBIPCRVDXRG-UHFFFAOYSA-N 418.509 1.047 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1300608658 BAPYLIVATZMRSU-UHFFFAOYSA-N 407.482 1.153 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1300648884 QMLIFXGXHQJMAZ-SJORKVTESA-N 410.453 1.287 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@]2(O)CCOC2)CC1 1300708591 VVSPGRREOYPUGH-JOCHJYFZSA-N 411.506 1.072 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301257690 CTCHPZBJQDQKQH-CVEARBPZSA-N 404.471 1.644 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1)C1CC1 1301322340 GYMAUXVWHXELIO-SFHVURJKSA-N 408.506 1.743 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CC1 1302231691 IYMPPAMVZJXHCO-CABCVRRESA-N 418.498 1.604 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cs1 1304665598 FMFPBYHZBUNRPI-KUHUBIRLSA-N 419.530 1.797 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1305635505 FWDGPXQNXCSYSU-BXTJHSDWSA-N 401.515 1.664 30 10 HDEE C#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 1312567004 ZWTVDJZBLFTQEI-UHFFFAOYSA-N 416.906 1.154 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCc1cnn(C)n1 1314949802 COACEHASVBCGGB-OAHLLOKOSA-N 421.509 1.396 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1315730609 FGFMGNPOTKZEME-ROUUACIJSA-N 416.526 1.696 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CC[C@@H](OC)C2)C1=O 1326177794 QXLFVBPFZOBYRF-KFWWJZLASA-N 404.492 1.421 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(C#N)cc2)C1 1350460658 UMAGRBVFXFVPER-AUUYWEPGSA-N 405.476 1.778 30 10 HDEE CCOC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)OCC 1355156716 DKLXMXLOJQHGAN-GFCCVEGCSA-N 421.837 1.176 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1358922291 AFCPORCPAFRONR-GOSISDBHSA-N 411.506 1.897 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358965037 MTEYCEWDNTVMJX-QZTJIDSGSA-N 415.519 1.070 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1358968810 AAMHWSVTKRSAGE-AEFFLSMTSA-N 415.519 1.349 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCS(=O)(=O)C1 1359020541 HCZAXOHPUFTPEH-MRXNPFEDSA-N 406.508 1.757 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)C 1359090298 YLLZHLGDXNVQQF-DOTOQJQBSA-N 406.531 1.358 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1359292346 NJHQFGGSCBRCTJ-UHFFFAOYSA-N 412.542 1.944 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1451885226 XTFUSLWZEVTHJY-DBWOOVFOSA-N 400.397 1.679 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)cc2)CC1 1454650081 FPSUYFMMCLNWFV-MJGOQNOKSA-N 418.519 1.304 30 10 HDEE Cc1ccc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1455355382 MJSPXBGVSHPLDF-UHFFFAOYSA-N 411.315 1.902 30 10 HDEE COC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCOCC1 1460409556 KUZNBNKVQBAPSP-NHCUHLMSSA-N 418.513 1.566 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462357662 RFKWHCYNHVQACR-XXBNENTESA-N 402.454 1.917 30 10 HDEE CCOC(=O)[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1466166217 HLIKIEYRZJINCL-IRXDYDNUSA-N 417.462 1.433 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OCC)c2ccncc2)cc1 1469085019 YQYAYAFCADTPCB-GOSISDBHSA-N 415.471 1.417 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)cc1 1470254637 OKWZNCOLGKJQCS-UHFFFAOYSA-N 406.464 1.508 30 10 HDEE C#CCN(C(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C1CCN(C)CC1 1471264594 MQPWRKPEHORDIF-OAQYLSRUSA-N 408.543 1.751 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN(CCN(C)C)C(=O)C3)c2C#N)C1 1473607607 YGABAMLMFOUYPR-HNNXBMFYSA-N 417.579 1.779 30 10 HDEE C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1473685730 OLTZBFXUTMXTGQ-FHKHNKIZSA-N 400.498 1.768 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1nnc2c(=O)n(C)ccn12 1473788017 AQGFWIOVRIHPMQ-CQSZACIVSA-N 411.441 1.334 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)cc1 1475431125 ZQAIWODIALFABH-INIZCTEOSA-N 404.463 1.699 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1503689998 KXALYMPWVMPVQW-JOCHJYFZSA-N 421.505 1.448 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507637079 GYSKRVOEUXGJGV-HUUCEWRRSA-N 421.548 1.570 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@H]1C 1507671789 PPZWGNWAQOVISN-MBSDFSHPSA-N 418.501 1.519 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1507684495 CMLHLWNXTBLTIE-INIZCTEOSA-N 421.509 1.685 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C(=O)NC 1507744442 RVZWRZUQDYWWRR-AWEZNQCLSA-N 415.523 1.110 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508095738 SAPVGZUWICMCBO-LJQANCHMSA-N 424.549 1.861 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(C)c(C#N)cn4)CC3)C2=O)n(C)n1 1515294450 ZQQRXFQBGQRPCP-LJQANCHMSA-N 421.505 1.257 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CC(=O)NCc2ccco2)c1 1521076049 SOYWKVPQHTVAPE-UHFFFAOYSA-N 406.446 1.953 30 10 HDEE C#C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(Br)cc1 1528082022 SPKHYMDSSKBRGL-HNNXBMFYSA-N 420.288 1.737 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)nn1 1529544166 PTPVXRYQWKHTEL-GASCZTMLSA-N 419.507 1.192 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1535272914 HQZDZVMKIBRXHA-XHSDSOJGSA-N 410.515 1.716 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1538992591 UONURDUIDNKBGE-OAHLLOKOSA-N 415.461 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539014602 RRIVADBFZPLNEN-WMZOPIPTSA-N 411.506 1.755 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539067291 CHFVGRUDAOFEAK-UHFFFAOYSA-N 424.553 1.529 30 10 HDEE C#CCCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1539139353 DHKWASICALQVJV-RXVVDRJESA-N 403.527 1.648 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1539179765 RPANIPLZTONPCY-FOIQADDNSA-N 407.515 1.817 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539205354 GZWBAMSWRYEBTB-WMZOPIPTSA-N 402.520 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1539251685 NELNTUJBTJPXNB-QHCPKHFHSA-N 423.517 1.492 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1539369318 JMPRGLOITQKTLK-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCc2cccc(C(N)=O)c2)CC1 1539444630 RREMQYINPXAAKS-UHFFFAOYSA-N 415.501 1.437 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCO[C@H](C)C2)CC1 1539446589 GUDRHWOORSOEKT-UXHICEINSA-N 416.570 1.038 30 10 HDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1539519176 DMJXOHYONCLRKP-SFHVURJKSA-N 410.547 1.758 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1539803758 NAIBBBCXPVFMQH-UUCFBXCCSA-N 415.947 1.885 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539881645 FCEYQSBXBDFBOQ-INIZCTEOSA-N 404.540 1.957 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1541991745 JZHOWRYNBCGQTA-MDZRGWNJSA-N 422.555 1.541 30 10 HDEE C=CCN(C(=O)CCc1c(C)[nH]c(-c2ccncc2)nc1=O)[C@@H]1CCS(=O)(=O)C1 1542217265 VVXLTMJRKMYCAG-MRXNPFEDSA-N 416.503 1.275 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)N(CC)CC)c1cc[nH]n1 1542282067 KPRLNDUZEXDTSE-UHFFFAOYSA-N 415.450 1.814 30 10 HDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1543263735 GSEKLOHWMMYEJJ-OALUTQOASA-N 421.505 1.906 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)s1 1544268260 KBUFOKKGFIQMRQ-UHFFFAOYSA-N 421.500 1.749 30 10 HDEE COC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1544867898 WOLLJYLAUSYROZ-UHFFFAOYSA-N 407.268 1.668 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1545628375 KZVIQZHBHFAMDR-NFPAXOPASA-N 415.498 1.238 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1546713891 PXLOFELSKLDKIT-MELADBBJSA-N 422.511 1.405 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(O)c2)CCO1 1555994309 HGMNHPJULGEVEP-INIZCTEOSA-N 424.486 1.752 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](C(=O)Nc4cn[nH]c4)C3)ccc2c1=O 1556699568 VSJISGNDNVFQEI-ZDUSSCGKSA-N 424.486 1.695 30 10 HDEE Cc1ccc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1556915652 RRSDOMOKEOUABD-FQEVSTJZSA-N 421.519 1.991 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1558199104 HCCUZQWDWXWTFB-ZCXUNETKSA-N 418.494 1.762 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](C3OCCO3)C2)C1 1558402892 SZUWMSPKDVZYRO-LBPRGKRZSA-N 406.280 1.978 30 10 HDEE CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032791 INMWAMYBAWMJAX-MRXNPFEDSA-N 401.463 1.928 30 10 HDEE CCOC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560054716 HOAORGHZJCJXNW-VQTJNVASSA-N 404.486 1.272 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(OC)ccn3)CC2)c1 1565652486 ISEBYJVAVUWULE-UHFFFAOYSA-N 413.499 1.850 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 1568918981 ZNBVYIAXLMHXGM-SFHVURJKSA-N 417.531 1.894 30 10 HDEE N#Cc1cn(CCC(=O)NCC2(c3ccc(F)cc3)CCOCC2)c(=O)nc1O 1583359268 DDWHDPJYURABIP-UHFFFAOYSA-N 400.410 1.214 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@]4(CCS(=O)(=O)C4)C3)o2)cc1 1585986738 CKDGXNQNJMBCCV-HXUWFJFHSA-N 416.455 1.760 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)NC3CCN(S(N)(=O)=O)CC3)cc2)cc1 1586034429 DNKNDOBXCLMEMJ-UHFFFAOYSA-N 414.487 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1587556725 SLHRQERVHKCHNQ-INIZCTEOSA-N 411.510 1.494 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CCN(c2ccccc2C#N)CC1 1587600981 MZICZIPYKDZBLA-UHFFFAOYSA-N 414.506 1.739 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)C(C)(C)C 1587958395 QVYFAWYAENVNMH-UHFFFAOYSA-N 404.492 1.957 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCOc1ccc(S(C)(=O)=O)cc1 1587969826 HJVOBSWZFQIWRX-UHFFFAOYSA-N 412.475 1.287 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588029040 CNAZPXSPOMTXAH-LSDHHAIUSA-N 405.528 1.078 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1cccc(OC)c1 1588128580 PGOSQPCOLPKMDP-LPHOPBHVSA-N 407.474 1.778 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1588262480 FHWRXXZVFPFDDW-AWEZNQCLSA-N 416.448 1.139 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1588733451 SXJBGBAZWMKSGR-ROUUACIJSA-N 402.543 1.377 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1593884668 JCLNVQMAWQJUBH-CQSZACIVSA-N 401.920 1.520 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCOC)CC1 1594182098 SHHPBTWPJOHCHB-RDTXWAMCSA-N 415.560 1.078 30 10 HDEE Cc1nc(Cc2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1612387745 XCHJYQWHBXYMSJ-ZCXUNETKSA-N 413.507 1.759 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C)on1 1619452722 FCACYTJQFKXOCV-INIZCTEOSA-N 410.434 1.939 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC(C)(C)CN2CCN(CC)CC2)c1 1622249770 QUCPPGCXQOCEBG-UHFFFAOYSA-N 408.568 1.297 30 10 HDEE Cn1ncc2c(O)nc(NC(=O)COc3cccc(Br)c3C#N)nc21 1623489784 CDKUNRVMKDOJJP-UHFFFAOYSA-N 403.196 1.721 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H](COC)[C@@H]2CCCO2)c(C#N)cn1CCOC 1623540672 GXSADDLZVOPCHX-GJZGRUSLSA-N 408.455 1.498 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@H](C)CC(=O)OC)CC2)c(C#N)cn1CC 1625717737 AULBKVQOTRSGQK-CQSZACIVSA-N 419.482 1.657 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCc2nc(C#N)cs2)cc1OC 1626926131 GUXYFAWSDTUDHB-LJQANCHMSA-N 402.476 1.786 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCN(C)C)Cc2ccsc2)cc1 1629582955 YMMYRHLBJXTFNM-UHFFFAOYSA-N 405.545 1.864 30 10 HDEE CCNc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1636231497 DXOOSLMXIZMWDL-UHFFFAOYSA-N 418.475 1.924 30 10 HDEE C=CCC[C@H](NC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1636821902 JDMHDFCTEAXXKK-MGPUTAFESA-N 414.499 1.653 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCOC2(CCC2)C1 1637075637 VIDMSVYPJFEURM-OAHLLOKOSA-N 405.520 1.971 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1639240144 AGLIOJIUSLDWQG-PBHICJAKSA-N 410.923 1.745 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1641702766 ZCZKESAKXKQSMM-HHXXYDBFSA-N 421.375 1.744 30 10 HDEE N#Cc1c(N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc([N+](=O)[O-])c1N 1642135268 XRKAUWXSFGSNSP-UHFFFAOYSA-N 401.448 1.950 30 10 HDEE C#CC[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1642246056 WNANURMGPSLVSG-AWEZNQCLSA-N 408.480 1.565 30 10 HDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C)COC 1643803308 QOKXWYPMAMDFHX-MRXNPFEDSA-N 411.524 1.169 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636542 FVBVARWOZOZZAE-MKBNYLNASA-N 412.309 1.646 30 10 HDEE Cc1nc([C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[nH]c1C 1645370140 ADTXZBHAUGFAKB-WMLDXEAASA-N 401.492 1.929 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC(C)(C)CC(=O)c2ccccc2)CC1 1650846156 LTRWMGFBYZXFQT-UHFFFAOYSA-N 405.520 1.288 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCc2c(sc(N)c2C#N)C1 1653213192 YYKFROSZLWBTKR-GFCCVEGCSA-N 402.567 1.148 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)n(Cc2ccccc2)c1C 1653808631 DYZCWXIQOUBFCF-WOJBJXKFSA-N 421.501 1.553 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCCN1C(=O)OC(C)(C)C 1653896349 NMHZTFQVTXSSON-WTOYTKOKSA-N 421.538 1.121 30 10 HDEE CN1C[C@]2(C)CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@]2(C)C1 1654415333 STCZFCDPDZKJSH-DUXKGJEZSA-N 401.580 1.731 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)C1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1656553691 OXZXYGHZVYKMTP-GJZGRUSLSA-N 406.508 1.524 30 10 HDEE C=CC[C@@H]1CCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1668508779 DSUAOCXPGQVLQI-LLVKDONJSA-N 408.304 1.519 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1681378826 NAMWODDCMZSGFD-ZDUSSCGKSA-N 424.295 1.621 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC4(CCOCC4)CO3)CC2)c1C#N 1683499287 XOQSFTIMKBIGTN-MRXNPFEDSA-N 402.499 1.018 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CO1 1684471013 SSAHGDQHAVSYIK-OAHLLOKOSA-N 402.455 1.336 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3sccc3Br)C[C@H]1CS(=O)(=O)C2 1686318568 JOUMGGVRNXVEAH-ZANVPECISA-N 404.311 1.590 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccco3)cc2F)CC1 1686353133 JEABUWDBNKEOJN-UHFFFAOYSA-N 420.466 1.381 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)C1CCN(C)CC1 1686399255 NZCUGCZAKBTCNA-UONOGXRCSA-N 406.556 1.803 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1686920012 RABGZHZMPCUHDT-UONOGXRCSA-N 400.298 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1689849590 OFXQTOTVQMMRHD-HRCADAONSA-N 404.515 1.848 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCS(C)(=O)=O 1689944114 KXKQITRIYGMKOJ-UHFFFAOYSA-N 403.508 1.651 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689990906 SZIYYENBSGKOOR-KRWDZBQOSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1690019701 PJIYIRBQFIWFSG-GOSISDBHSA-N 412.515 1.504 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N(C)C 1690039837 URKQMWYLSPYFAZ-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccccc2C)CC1 1690109403 QCKIPBXDAHXZDV-IBGZPJMESA-N 424.549 1.947 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690428268 KRBYGFPQXHUCLH-OAHLLOKOSA-N 419.555 1.855 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690644770 LRHWKTGHWXOXBR-UHFFFAOYSA-N 413.432 1.920 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)C1 1690685763 CQIVMHBXRBCUNM-CZUORRHYSA-N 424.502 1.252 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCc2ccccc21 1690729111 GURSUEOKNKYYMN-UHFFFAOYSA-N 415.519 1.696 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1692662233 HAIBMERCWHHFAH-DLBZAZTESA-N 408.572 1.795 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1692664412 WSGMZXPUFJBAKX-NSHDSACASA-N 418.303 1.961 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1694127328 XYJDBBDHFXVUSF-KRWDZBQOSA-N 413.526 1.784 30 10 HDEE CCc1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694699410 KOWQFUAQTWQVEM-ZPHPHTNESA-N 409.450 1.030 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1694739642 HPDVGEMSTVMGCV-GDBMZVCRSA-N 403.531 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1705478421 BCXRQUJLKGSLIF-AVRDEDQJSA-N 419.570 1.887 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1705583365 WRNBBZYRFNXSAV-LSDHHAIUSA-N 410.590 1.102 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCC(N)=O)c1 1705594750 PWVAQFZWPYKFQA-UHFFFAOYSA-N 402.458 1.649 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)C(C)C)CC1 1705634890 LLSPAANMSVPSGO-OAQYLSRUSA-N 404.559 1.026 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(N(C)C)CCSC2)CC1 1705637573 CQOFJXCXNHHSML-NRFANRHFSA-N 411.579 1.533 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[S@@](=O)CC)CC1 1705641426 FHMUYCWIYPDJJB-LJAQVGFWSA-N 415.563 1.423 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1705656067 QBIRYKKVYMQJBE-UHFFFAOYSA-N 424.534 1.496 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705700005 NUOOOMHBVFHIDM-ZKXLYKBJSA-N 424.567 1.775 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCCOC)CC1 1705729287 RKRRVYKHIDURBA-ROUUACIJSA-N 421.542 1.557 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705753871 KQPLBDHEHXZMGO-UONOGXRCSA-N 408.890 1.397 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1705855670 PIRIIEBTUYEHSX-GOSISDBHSA-N 416.551 1.843 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1705884495 PUEUBUDKJQNZGZ-IBGZPJMESA-N 420.558 1.323 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H](C)C1 1705884883 ZQAIDAFVNHFBNQ-IXDOHACOSA-N 412.556 1.634 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCCNS(C)(=O)=O)C1 1705918288 GLIQCICMMPDKAP-QGZVFWFLSA-N 419.551 1.974 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1705930598 QSHSAPBMEWUHJT-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705938852 LCJKGUKTKXGBCC-IXDOHACOSA-N 410.540 1.878 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1706076658 BLFHSXIVMLQOBA-INIZCTEOSA-N 419.493 1.625 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cc1 1707550664 DRRLAVKUFOBCHN-SFHVURJKSA-N 412.494 1.763 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1708620986 BRODGYSYUHFJKX-YJBOKZPZSA-N 407.478 1.850 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNC(C)=O 1710866023 BIZOZLVMEKBTHL-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCO1 1711361053 VWMMRTDYCWNHJB-SZMVWBNQSA-N 412.469 1.906 30 10 HDEE COC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1711439178 LFUSTUCPDKRMRY-UHFFFAOYSA-N 412.450 1.416 30 10 HDEE O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCO[C@@H](CNCC#Cc2ccccc2Cl)C1 1717175559 JBJWVOUKPYWNKX-FJEWGBTGSA-N 400.906 1.932 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1722342356 XCIJECVKZAJTMX-UHFFFAOYSA-N 407.482 1.290 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC(F)(F)F)nc1 1722354066 YXSSKXNPTRXZGR-CYBMUJFWSA-N 408.384 1.683 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1722430873 KMOCQUDJEHGDPA-UHFFFAOYSA-N 403.450 1.723 30 10 HDEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722606812 IDLYUGRGYRMEIQ-GOSISDBHSA-N 415.494 1.880 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722615141 IRSHKWPBWUVOED-HNNXBMFYSA-N 412.498 1.321 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1722631053 BBQLHJCKSRZRHA-HNNXBMFYSA-N 406.556 1.819 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C 1722655180 HYKYXYZQKBRLNI-UHFFFAOYSA-N 404.478 1.831 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1723772761 APNKPPABERXJRE-RMYFCYLKSA-N 406.450 1.605 30 10 HDEE COC[C@H](C)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730454023 AMIJCIWJPUXOJW-OAHLLOKOSA-N 412.542 1.753 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1740554304 XLVFYHDOCSXPNA-UKRRQHHQSA-N 409.537 1.179 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740590618 IKERYIFOIZNJKA-SJORKVTESA-N 406.552 1.725 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1CCS(C)(=O)=O 1740604227 UTPUXQAGADJUTL-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCO[C@@H]1C(=C)C 1740678174 DJXVVEZFCYQYOK-QZTJIDSGSA-N 401.511 1.581 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCC2)CC1 1740689286 AAEHQMFRTJLVES-UHFFFAOYSA-N 401.559 1.048 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C(C)C)CC1 1740707167 RITDJECBBNLYSH-HSZRJFAPSA-N 424.549 1.637 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC#C)CC#C 1740713432 LGYZKBWJLCQRTO-UHFFFAOYSA-N 402.487 1.360 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740888817 WQQLRXXDZRCVGA-KURKYZTESA-N 424.567 1.778 30 10 HDEE CCN(CC)[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1746058696 FPONBULROLCTCY-LSDHHAIUSA-N 411.576 1.359 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1747382547 BHWUIESAEHWHOV-WBVHZDCISA-N 401.467 1.927 30 10 HDEE CN(CCc1nccs1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1747904390 HOCIRWCLTPKZPT-UHFFFAOYSA-N 416.532 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1748684138 CYDLVQLYJAXMKO-HOTGVXAUSA-N 424.496 1.214 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1748684140 CYDLVQLYJAXMKO-JKSUJKDBSA-N 424.496 1.214 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1748729976 AJUXCAKKDBPWPS-UHFFFAOYSA-N 401.515 1.168 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1748791617 XWOSLNYCNLGQMR-MRXNPFEDSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748811468 HPBJTWCBSRETQZ-DLBZAZTESA-N 417.560 1.862 30 10 HDEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748907266 INQSLEBBFZODIB-GHTZIAJQSA-N 416.547 1.829 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1748956756 ZIAUPIIBFVVFKQ-UHFFFAOYSA-N 416.485 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCc2ccccc21 1748961024 VAFNMCSCSNHAHG-LJQANCHMSA-N 422.533 1.768 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749452078 NIMPDEOKRCAMMM-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1749575521 SKNWFZVJQQJOGX-INIZCTEOSA-N 409.556 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)[C@H]1CCOC1 1749725444 UTUXDMFAOGDWGJ-INIZCTEOSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC2(CCOCC2)C1 1749733705 ABJDLOYQQPOYEC-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2ncn(C)n2)CCOC1 1751014629 YOECSSXQLHHCFH-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)cs1 1751777009 IVLMKSOAXVZKLE-ZWKOTPCHSA-N 406.487 1.881 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOC1=O 1760199314 TYFWZXQOVHAJQN-UHFFFAOYSA-N 421.457 1.631 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1760227910 POBAFUYRCAQVCN-OAQYLSRUSA-N 403.527 1.696 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760304891 KTEYJFFMJHNCFA-KRWDZBQOSA-N 403.284 1.965 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1760527426 WSBHFSIMXVTWOW-IRXDYDNUSA-N 400.527 1.862 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOC[C@@H]2C)C1 1760541580 FAFVFZWCNGWDJJ-GBESFXJTSA-N 405.543 1.674 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1760642556 JEZQBWUHPDOMGF-KRWDZBQOSA-N 405.462 1.882 30 10 HDEE CC1=C(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1761595086 NYDIXPZYCUQGNQ-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1763297625 UZMGXNPGAARGTB-QZTJIDSGSA-N 421.505 1.590 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)CC(F)(F)F 1764845170 QQKBGTMDMKHGMK-UHFFFAOYSA-N 409.416 1.870 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1nc(C)no1 1766336463 ZXULPMHIIWZUEW-UHFFFAOYSA-N 424.465 1.674 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1767059062 RLAKASNNAGKWPY-FJIDUMEYSA-N 404.515 1.215 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCSC)CCOC1 1767472789 IMTHOPTWNVOXAI-PXNSSMCTSA-N 420.583 1.860 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O)[C@@H]1CCOC1 1768579004 WXKPXABENSPEAI-MRXNPFEDSA-N 419.507 1.389 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769914403 HMVWOXQEIVBAAW-JKSUJKDBSA-N 400.483 1.452 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CCO1 1770749107 UMCJGMPFDDGDDQ-IAGOWNOFSA-N 405.524 1.799 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1771262880 IOLHRHIWTXHAJV-KRWDZBQOSA-N 422.493 1.483 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)Cn3nc(-c4ccco4)ccc3=O)CC2)CC1 1849758749 XIOQFUDXXUGXNR-UHFFFAOYSA-N 423.473 1.504 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCCN2CCC(C#N)CC2)c1 1850005893 QUFJHSPVORJBQC-LJQANCHMSA-N 404.536 1.500 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(Cn3cnnn3)cc2)CC1 1851537042 DGBAJGBVBZODPR-UHFFFAOYSA-N 402.462 1.634 30 10 HDEE C[C@@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)N1Cc2ccccc2C1=O 1851597312 XLBZAXZZBBGYON-KRWDZBQOSA-N 419.485 1.663 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)[C@H]2CCC(=O)N2Cc2ccc(Cl)cc2)NC1=O 1852019155 OUORIFJWNSPXGA-CQSZACIVSA-N 402.838 1.152 30 10 HDEE Cc1cc(C)n2nc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2n1 1852038736 MIBICUPDXIQOIY-UHFFFAOYSA-N 405.462 1.592 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCC2CCS(=O)(=O)CC2)cc1 1852102896 PESYUHUSEOHHHM-HXUWFJFHSA-N 408.520 1.479 30 10 HDEE N#Cc1cccc(C#N)c1N(C[C@H]1CCCO1)C(=O)c1cn(C[C@H]2CCOC2)nn1 1852302793 MCBDODHPSVXJQC-CRAIPNDOSA-N 406.446 1.884 30 10 HDEE N#Cc1cccc(C(=O)O[C@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)c1 1852605916 WPGWMTLUZNCEIG-NRFANRHFSA-N 423.469 1.523 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)C3CCN(c4ccccc4C#N)CC3)C2)c1=O 1853052764 WDGGGTCOCHBHGF-IBGZPJMESA-N 421.501 1.499 30 10 HDEE Cc1ccc(S(=O)(=O)N=C(NOCC(=O)N2CCCC2)c2ccncc2)c(C)c1 1853453083 WQYWAWDRXZVXOM-UHFFFAOYSA-N 416.503 1.978 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cncc(Br)c3C)C(=O)C2)C1 1853741988 SEBKAYMWSQSXIW-AWEZNQCLSA-N 407.312 1.697 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(CCc4ccccc4)C3)CC2=O)ccn1 1854237769 DWHAWWQBDSEAMT-NRFANRHFSA-N 403.486 1.555 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)C[C@H]2CSc3ncc(C)c(=O)n32)C1 1854658570 IXTFSDSUJBRYLI-CVEARBPZSA-N 404.536 1.862 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3ccccn3)C2=O)CC1 1854862499 OKMSQQFLGUERSO-LJQANCHMSA-N 405.458 1.880 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)[C@@H](C2CCOCC2)C1 1855034971 XOJKLVNRRCATKA-LEWJYISDSA-N 410.518 1.732 30 10 HDEE Cc1cncnc1N1CCN([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1855418872 PQMZTVLAYWQDRY-IBGZPJMESA-N 404.474 1.149 30 10 HDEE Cc1cncnc1N1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855525670 HCXKPFSIKRLIRY-GOSISDBHSA-N 405.462 1.005 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1 1855682580 MTLBSAWKRHAVQM-DZGCQCFKSA-N 406.870 1.737 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC[C@@H](Oc4ncccn4)C3)CC2=O)c1 1855729162 DTWMPEBBPZPMRG-PKOBYXMFSA-N 405.458 1.880 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN(CCn4ccnn4)CC3)CC2=O)cc1 1855956069 BBUKAZMFJVTTNR-FQEVSTJZSA-N 406.490 1.480 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855988429 YDUUNIDJPGXXQT-INIZCTEOSA-N 424.910 1.078 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855997015 JHQXGERTSJXWIY-SJORKVTESA-N 416.547 1.855 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(CCn3cnc4cc(F)ccc43)CC2)CC1=O 1856103929 AQFUKVPKEKAEMD-MRXNPFEDSA-N 412.469 1.082 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)Cn4cncn4)C3)CC2)c(F)c1 1856165312 NRYUPUJXHSLZBX-GOSISDBHSA-N 410.453 1.576 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857079902 IDRKEQIGUUHAMY-AWEZNQCLSA-N 415.446 1.900 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc(OC)c2OC)C1)[C@H]1CCN(C)C1=O 1857262758 AWWCBENQPOYWOA-RDJZCZTQSA-N 415.490 1.411 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(C(C)=O)s2)C1)[C@H]1CCN(C)C1=O 1857263818 JIYLKANNRLXCQW-GJZGRUSLSA-N 403.504 1.658 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)s1 1858323828 QUZUHOXPTVELOP-AWEZNQCLSA-N 411.530 1.670 30 10 HDEE CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859014067 XEJNFDQZPVLJJQ-UHFFFAOYSA-N 401.444 1.966 30 10 HDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099524 KDEINUDFWSWMOS-UHFFFAOYSA-N 422.386 1.663 30 10 HDEE C=CCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870385297 RDQGAVTVPXGUFW-UHFFFAOYSA-N 415.509 1.905 30 10 HDEE O=c1c(Br)c(N/N=C/c2cccs2)cnn1[C@@H]1CCS(=O)(=O)C1 1873526877 AZFVWNZRERUICW-UXWFALKESA-N 417.310 1.873 30 10 HDEE COc1cc(/C=N/n2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc([N+](=O)[O-])c1O 1874564629 MKRDIOOAQZXMOF-MBCCIFHSSA-N 420.451 1.796 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)N2CC[C@@H](O)C2)OC1(C)C 1914069009 PONYAKPIYSLCRD-GFCCVEGCSA-N 402.709 1.363 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1925839957 OQPWHXSWLBZCBB-DYVFJYSZSA-N 403.501 1.556 30 10 HDEE CN(OCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 1985101450 SLYZGUSQMHGODV-UHFFFAOYSA-N 408.264 1.513 30 10 HDEE CC1(C)OB(c2cnc(OCCS(C)(=O)=O)c(Br)c2)OC1(C)C 2015767643 YTNPACZKFCQRCJ-UHFFFAOYSA-N 406.107 1.567 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2csc(C(=O)O)c2)[C@@H](C#N)C1 2106308236 XMGUDKOWCAKDDN-JTQLQIEISA-N 401.466 1.580 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@@H]1C(F)F 2174788396 FBEMCDWAFZBINZ-STQMWFEESA-N 402.423 1.732 30 10 HDEE CC1CCC(C#N)(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2181054659 ABUSSXBTZYKFDE-FVRSWCFKSA-N 401.529 1.903 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)C1 2186720531 JIILGHQTDIFGNP-JKSUJKDBSA-N 402.442 1.825 30 10 HDEE N#C[C@H]1CN(CC(=O)CCN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 2209549995 RCEXNOJGINVGGL-IBGZPJMESA-N 416.481 1.952 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C[C@@H]3CCCO3)n2)OC1(C)C 2241207166 LDRHHROJLMWYQF-NSHDSACASA-N 402.709 1.955 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2247813437 WOVOBUHONMFORD-JOCQHMNTSA-N 423.319 1.450 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247819184 DVVQBUZYRILMNQ-BETUJISGSA-N 420.319 1.742 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247859879 YGYKBRYNCWDRQY-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2247865250 RSNIHXBEOAJBCW-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247916417 XCPHATDJLXKMJT-UHFFFAOYSA-N 420.319 1.910 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2248406145 YYNSBDICBLBDKN-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE CC(C)[C@@H](N)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356381 LYZZMDUUMHUOOT-NSHDSACASA-N 408.782 1.962 30 10 HDEE COCC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267705301 GXTKYNNDGLNRCI-UHFFFAOYSA-N 407.750 1.968 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccccc1C#N)NC(=O)OCc1ccccc1 2270515908 DPEAIHLMTDRXEF-KRWDZBQOSA-N 417.443 1.768 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(C)CC(N)C1 2282312412 WJRUGDXCAWFUTJ-UHFFFAOYSA-N 400.375 1.761 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282318893 MFJIOKHOGPFSRX-NSHDSACASA-N 423.387 1.067 30 10 HDEE CC[S@@](=O)(=NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282414100 NXDZLCLPNQTFPD-VWLOTQADSA-N 405.351 1.304 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CCN1 2282416031 PMBUUDDIEBCSHI-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)S(N)(=O)=O)c1C 2282570049 BDJFYWPAUBXXBP-SECBINFHSA-N 402.347 1.071 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](O)C(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282832568 AVUPEVHTDCDBKQ-LBPRGKRZSA-N 401.359 1.747 30 10 HDEE CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282840107 DFOSFIDQAMAKFQ-SNVBAGLBSA-N 403.331 1.586 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(F)C[C@H](CN)C3)c2)OC1(C)C 2282848204 KMLMHZIIFXJIRG-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1OC 2282869903 JXBYVGJDNKEIFO-BETUJISGSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@@H]3CC(=O)O)c2)OC1(C)C 2284404051 VVJBONYFBUUJQB-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405718 OUAKKCQIMIYKHO-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cc(OC)c(O)c(OC)c1 2331566206 VCRWQTSWGODFIU-UHFFFAOYSA-N 423.495 1.648 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCC[C@@H]1NC(=O)OC(C)(C)C 2365213114 VDGMPAXKAKSZHA-ZRGWGRIASA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365245580 IQMZYDFRJANQKU-ACJLOTCBSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)NC[C@](O)([C@H](N)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367805524 CCSBTWZJNOKEPM-KUHUBIRLSA-N 402.557 1.586 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-n4cnnn4)cc3)CC2)cc1 6746831 MXRZMCTUCNPCKR-UHFFFAOYSA-N 410.459 1.766 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)CC1 45341420 PHEQQPDZRQISLS-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2C1=O 54827459 OBKNUXTWFDHYFB-MRXNPFEDSA-N 411.458 1.180 30 10 HDEE Cc1ccc(N=C2SCC(=O)N2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 254736305 KPXXNENZWUPRQO-UHFFFAOYSA-N 408.439 1.885 30 10 HDEE N#Cc1nccnc1-n1cnc(I)c1I 307512775 YIMIGDLUZPPTSA-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE C=C(C)CS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 435443944 UBAXWGIVPSDWJO-UHFFFAOYSA-N 412.455 1.918 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)cnn1-c1cccc(C#N)c1 443685065 MPDZNBNWZZRGNE-OAHLLOKOSA-N 422.489 1.714 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(OCc3ccccc3)n2)CC1 462436676 LIHICJMHSOKSCF-UHFFFAOYSA-N 411.462 1.993 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2nccn(C)c2=O)CC1 467183341 WWUDTDNWRRACQR-CYBMUJFWSA-N 412.519 1.351 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC2CCC(C(N)=O)CC2)CC1 476032119 ZBCPJHOKLZDEEA-UHFFFAOYSA-N 406.490 1.982 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)s1 477433897 QIJSPAOHFKZTIA-CYBMUJFWSA-N 418.540 1.887 30 10 HDEE COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505018186 GWOOEXPWLDKMRQ-UHFFFAOYSA-N 407.492 1.588 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@@H]1CCCO1 505698978 FNFHNJNQTMDOHS-ZFWWWQNUSA-N 414.531 1.249 30 10 HDEE CN1CCN(c2cc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)ccn2)CC1 505778801 UJZHJSSKMWJWRX-OAQYLSRUSA-N 401.511 1.711 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508932532 UISKDPZNGQLHEX-HNNXBMFYSA-N 401.414 1.959 30 10 HDEE N#Cc1ccccc1N1C(=O)C(Cl)=C(Nc2ccc(S(N)(=O)=O)cc2)C1=O 526656278 FXGLIMNFSURMJQ-UHFFFAOYSA-N 402.819 1.641 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC1)C2 536068105 QHZFCPPWLJNWRA-OALUTQOASA-N 402.564 1.575 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2cccc(C#N)n2)CC1 546919888 YXBYFXOWLMCEDV-KRWDZBQOSA-N 422.489 1.041 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555267683 ACXQVOCBKAWFQC-HNNXBMFYSA-N 403.443 1.888 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCO2)CC1 559113796 WMIUNIKUNKBWGK-LJQANCHMSA-N 416.570 1.614 30 10 HDEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)ccc1C#N 565984555 XFIUFJUYWGRGMA-UHFFFAOYSA-N 402.476 1.653 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)c1 584552386 YPJABRREIWNJQT-SQNIBIBYSA-N 404.492 1.496 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](CC)C(=O)OCC)nc1C 586304322 OMHBDXQWEXGKIO-RPHGYIDUSA-N 402.494 1.823 30 10 HDEE COc1cc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccn1 590421376 XYLIAYAUGXYLFW-UHFFFAOYSA-N 400.460 1.037 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccn3)n2)CC1 609906476 WAEZZSKOXIFGRS-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@H](C)Oc3ccccc3C#N)cn2)C[C@@H](C)O1 610206252 ZZMILGRQADSWGI-XHSDSOJGSA-N 411.462 1.797 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 614562011 JDZXAXHQYXVAGN-MRXNPFEDSA-N 424.423 1.257 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 615074399 BLVBRJKFDQZCKV-UHFFFAOYSA-N 421.523 1.320 30 10 HDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CC[C@@](F)(C#N)C3)ccc21 615823657 UFLGHURNDVBTPC-LJQANCHMSA-N 402.430 1.421 30 10 HDEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669816732 UMAOVURMOYPGPH-UHFFFAOYSA-N 408.503 1.507 30 10 HDEE CCc1cc(C#CCO)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703971587 WJLMRDKSEWUAFO-UHFFFAOYSA-N 412.467 1.631 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CCN1C1CC1 732707278 YZNYMKJQVWVCFF-MSOLQXFVSA-N 412.490 1.772 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)c1 734770586 MUSYYKTYNXRLHN-SIKLNZKXSA-N 405.454 1.951 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCO2)c1=O 743729002 UTDRTZVMUAVUFE-AWEZNQCLSA-N 415.540 1.726 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)nn1CCC#N 755705519 UFNSIXGKNISELI-CQSZACIVSA-N 404.471 1.559 30 10 HDEE CCn1nc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)c2ccccc21 757579129 QIKYNPZLNNCCFI-HIFRSBDPSA-N 411.462 1.905 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758327277 XGMMSRXQCVKENS-HOCLYGCPSA-N 407.515 1.692 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 758487440 ZCKXGKUMJGDDDZ-KLIGIEKFSA-N 423.395 1.551 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 760961211 DQQVICGGNPOMMI-VLIAUNLRSA-N 407.536 1.809 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1OC 766015653 IVNPHYCYWLPQJY-MRXNPFEDSA-N 421.494 1.276 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 767679178 FIGCCKHIUFNQEE-KRWDZBQOSA-N 408.520 1.806 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1-c1ccccc1C 772279961 SXMBBKPVXMILGJ-UHFFFAOYSA-N 417.494 1.310 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774193890 ASVYIUGLIFPDDB-WMLDXEAASA-N 405.476 1.536 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780257441 YRLYMLNBPOYVMY-VLIAUNLRSA-N 419.434 1.015 30 10 HDEE CCCCN(C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 781395329 WYNAGOFQBCBSCI-SFHVURJKSA-N 418.515 1.949 30 10 HDEE COC(=O)CC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 792535467 RSSVOPDWVYMRNK-UHFFFAOYSA-N 407.492 1.497 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 796096379 MIGBJVPTEZEDTC-QGZVFWFLSA-N 406.529 1.850 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)C1=O 799267078 BRKBSIKVDIIHFV-MDZRGWNJSA-N 414.506 1.484 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800777798 RTVIWMSNTRDLSS-UHFFFAOYSA-N 411.553 1.715 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1ccc2c(c1)OC(F)(F)O2 803268249 UFCIBXNBPMSDEF-UHFFFAOYSA-N 410.354 1.901 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 803848584 FXXFWUQSGFBHHW-VIFPVBQESA-N 406.320 1.671 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 803850944 WOXSSVNQLHGEQN-GFCCVEGCSA-N 402.432 1.388 30 10 HDEE CCN(CC)CC#C[C@H](C)OC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 805899016 ZMVDNBGIAWBVFZ-SFHVURJKSA-N 406.548 1.808 30 10 HDEE Cc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1NS(=O)(=O)C(F)(F)F 807923956 UVVYLOLRVUXWDW-UHFFFAOYSA-N 418.397 1.455 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(N3CCOCC3)c2)n1 814469515 MIODCMWGPFDLGQ-UHFFFAOYSA-N 411.506 1.711 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2CN(C)C[C@@H]21 816950420 RLZPUIVUOGSXEE-PVAVHDDUSA-N 404.536 1.302 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 917925740 LRVSTUOSALTFJE-GFCCVEGCSA-N 416.908 1.036 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1127464696 XXIJQHBZHHXDDW-PXNSSMCTSA-N 406.504 1.752 30 10 HDEE CC(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCOCC1 1130322594 QOSMFVAMLRSRAH-HKUYNNGSSA-N 412.490 1.301 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1131243323 ZIFZVDSQBRVIFI-OXJNMPFZSA-N 405.462 1.794 30 10 HDEE N#C[C@@]12CN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)C[C@H]1CS(=O)(=O)C2 1134055955 HZVUDPXQSUODGB-ZBEGNZNMSA-N 416.425 1.177 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 1137537381 MZHDCKQLPCYWIV-FUHWJXTLSA-N 404.474 1.434 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC 1139432177 UFLYMWPFTBEBOQ-AVGNSLFASA-N 419.906 1.595 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1141167956 DSBOFWYDURYBJE-GFCCVEGCSA-N 402.469 1.162 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN(C)S(=O)(=O)CC 1141656964 UZBVRCFSHVBZFV-ZDUSSCGKSA-N 411.952 1.810 30 10 HDEE Cn1nccc1[C@H]1c2[nH]cnc2CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1143354305 BALQWSQIFPFARJ-FQEVSTJZSA-N 424.486 1.104 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)[nH]1 1146464478 IKTUBZCLOKOWFI-YPMHNXCESA-N 414.384 1.880 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1156247179 HYOVCJPZDCZFHB-KRWDZBQOSA-N 423.473 1.803 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](OC(=O)N(C)C)C2)ccc1F 1158621690 NJHOOIRGLJFQLM-CQSZACIVSA-N 413.471 1.593 30 10 HDEE CC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)c1ccccc1 1177243520 AIKPARBSUZOFLO-LPHOPBHVSA-N 401.488 1.744 30 10 HDEE COc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCCC2)cc1OC 1178756840 GQZJFSYWWWMBRJ-JXFKEZNVSA-N 418.515 1.912 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)cc1 1181149083 ILQIKZUXGJGQDE-UHFFFAOYSA-N 409.508 1.890 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1181747170 MABHOJBWXMHTBR-IBGZPJMESA-N 406.504 1.541 30 10 HDEE Cc1nn2cccnc2c1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1212343542 DYFXQQFKJYVVCL-UHFFFAOYSA-N 410.503 1.852 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@]12COCCN1C(=O)OC2)c1ccc(Br)cc1 1230499618 ZSWDGXXYONDWSY-PBHICJAKSA-N 408.252 1.644 30 10 HDEE N#C[C@]12CN(C(=O)NCCCOCCOCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1230764622 PGWSWKIQIZWKBL-AZUAARDMSA-N 421.519 1.190 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1255898233 NRLKMEGKBGUINA-HUUCEWRRSA-N 404.540 1.537 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1286401351 QCRLEVQJRKUDAP-UGKGYDQZSA-N 413.522 1.262 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC(C)C)N(C)C 1286517987 XRPZZQWVXIFSTB-FUHIMQAGSA-N 424.615 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1286817469 SXQLLIMNCZJINC-AWEZNQCLSA-N 422.482 1.684 30 10 HDEE CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1287340360 FHDDVSOBDHTLOZ-CABCVRRESA-N 410.544 1.443 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)o1 1287894267 JAURJSYQYKIETE-UHFFFAOYSA-N 422.489 1.913 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CC(=O)N(C)C 1288067504 IDJGDKOXQSYOCG-UHFFFAOYSA-N 409.494 1.545 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C 1288606566 GADFDGXNMYGKHA-WMLDXEAASA-N 402.524 1.390 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970301 DMIGGSCMHYPLBE-INIZCTEOSA-N 417.466 1.058 30 10 HDEE CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1300002665 ZNYNWOMQDPEPSS-ZBFHGGJFSA-N 411.455 1.242 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1300324424 FAMSOBDWHNMFTN-MRXNPFEDSA-N 415.469 1.703 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300491315 GWKLOLLQHUXRMZ-WMZOPIPTSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C1CC1)N(C)C 1300554410 CHHRYGNFSJZHII-SFHVURJKSA-N 405.506 1.729 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300664019 MZQWLASUOZEBDL-NRFANRHFSA-N 409.534 1.856 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300769374 FMLDRFJRTUUMDV-INIZCTEOSA-N 415.523 1.147 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCC[C@H]1CO 1300800861 ASWHCRCJYCTVCG-NJNPRVFISA-N 414.554 1.458 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1 1300863156 JMVKKGBQWBHQBN-JKSUJKDBSA-N 407.540 1.064 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccccc2)CC1 1301064571 XOVIFVSNTLPOEX-UZLBHIALSA-N 419.551 1.952 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H]1C 1301497166 QMRLDNLGWJYYGJ-CABCVRRESA-N 421.505 1.729 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)cc1F 1301498685 SGGMTEGWQYYMPL-HNNXBMFYSA-N 404.421 1.446 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)Cc1cnn(C)c1 1301509455 HQTCLHJRWFRHDQ-UHFFFAOYSA-N 418.505 1.953 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1302193845 HALNEMHXEVIBBO-SFHVURJKSA-N 422.493 1.598 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1302293356 LCFZZXBCIQGLJX-RIFZZMRRSA-N 414.514 1.801 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NCc2cncc(C#N)c2)ccc1Br 1303864061 ODAWBDJHECBEON-UHFFFAOYSA-N 423.292 1.896 30 10 HDEE C#CCNC(=O)CN1CCN([C@@H](C(=O)OC)c2ccccc2Br)CC1 1307796085 XZMXSZCUCZUMEG-QGZVFWFLSA-N 408.296 1.030 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1312839450 ABQIGBMQIDLYJM-UHFFFAOYSA-N 404.496 1.519 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)CCS2 1313384802 GBZLBQJBGOHSDC-SHYRYGCCSA-N 409.508 1.692 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCO1 1315934616 IZGAWUMYXUFYLU-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1358894398 NVLNDERKAALYGE-INIZCTEOSA-N 406.490 1.667 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1358978103 DCOZXNLXYCJJLJ-QGZVFWFLSA-N 419.551 1.264 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CC1 1359034514 UCZHOHDUUZHDMN-UHFFFAOYSA-N 412.242 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N(C)C2CC2)CC1 1359043618 AZEOVMZDNVURPX-INIZCTEOSA-N 422.537 1.184 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnnn1C 1359115780 MWVPIPORSQNGEZ-UHFFFAOYSA-N 400.512 1.849 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC)n1CC1(O)CCS(=O)(=O)CC1 1359277142 CYSYVFNTKSRBNI-UHFFFAOYSA-N 408.524 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359297348 NFLHQXGJGHZSDW-QGZVFWFLSA-N 406.494 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359335367 JMHQDYMTRKCIAC-QGZVFWFLSA-N 422.555 1.762 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359343901 FGNAIUKTMUNRBK-UHFFFAOYSA-N 403.556 1.983 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CCO1 1359448758 WCDMBQJZVORKBP-QGZVFWFLSA-N 407.434 1.194 30 10 HDEE C#CCN(C(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)[C@@H]1CCS(=O)(=O)C1 1435070267 YOQLHTNRWWPWEP-MRXNPFEDSA-N 417.483 1.692 30 10 HDEE CCN(CC)CC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1448589627 OAFYOIOFVVTRLY-HZPDHXFCSA-N 406.914 1.774 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1453966805 VHVRTWBIXSYVOC-WMZOPIPTSA-N 404.511 1.999 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1455205672 SPBWZLLWFDKBSP-INIZCTEOSA-N 424.519 1.317 30 10 HDEE CN(C)c1nc2c(s1)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1455340389 NTARHQJAEWZLOE-UHFFFAOYSA-N 419.532 1.600 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1456475251 IAHSKPKOHFUBMK-HNNXBMFYSA-N 413.908 1.571 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1463689229 BJTHKNOVVUAILS-QWHCGFSZSA-N 419.322 1.661 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[C@H]1c1cccnc1 1463796278 PMOAYZKSQFIWLF-FCEUIQTBSA-N 419.485 1.389 30 10 HDEE CNC(=O)Cn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1464308587 CXTPURVHZOFTDU-DMAKZNTKSA-N 416.482 1.354 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2cccc(C(=O)OC)c2=O)C1=O 1467662251 UZRQOOBSBSCVCI-HXUWFJFHSA-N 420.466 1.337 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1468358539 XHDQSBCOROJPGN-SJKOYZFVSA-N 408.296 1.925 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCCc3ccc(C#N)cc3)cc2)[nH]1 1470074288 BBGZMSIQWOCYKB-UHFFFAOYSA-N 404.426 1.725 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1470095747 HJBFDUUVUGTZSD-HNNXBMFYSA-N 406.508 1.904 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 1471894061 UHPRSIIZMYWHFP-YWZLYKJASA-N 405.426 1.607 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC3(CC2)CN(C(=O)OC(C)(C)C)CCO3)C1 1479312598 IYHKODVIBYGEQH-GOSISDBHSA-N 420.554 1.896 30 10 HDEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1494072603 CWRUSFHJBGPUPI-HZPDHXFCSA-N 411.576 1.359 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1507537536 IOHSLYFZGUYTRA-HZPDHXFCSA-N 403.508 1.218 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1507630546 BQYXHWLMPRQLAW-CYBMUJFWSA-N 410.450 1.422 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1507664113 GZTFUCPSMLGVGB-SBUREZEXSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCC 1507664853 PYAWNZSKMPVJSX-JOCHJYFZSA-N 418.505 1.935 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCOC(C)(C)C)CC1 1507716326 QAFLQSGOPGLELQ-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccnc(OCC3CC3)c2)CC1 1507735477 AQJBDEAIRDRPSN-UHFFFAOYSA-N 408.506 1.784 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C)C1CC1 1507992719 IAGMOIAZDBWIMV-INIZCTEOSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508097713 KGGJWSKFZWCEOU-GASCZTMLSA-N 404.515 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1508140161 KWQLAHXWJHHIDY-UHFFFAOYSA-N 420.539 1.375 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508160094 SICFZDZWUSBAOJ-HOCLYGCPSA-N 418.567 1.643 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508160723 HZEKZKLEPUBMIR-QAPCUYQASA-N 412.581 1.716 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1([S@@](C)=O)CC1 1513930906 FMKVMOSEPZWPJG-GDLZYMKVSA-N 412.563 1.945 30 10 HDEE CN(C)C(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516973575 XDFIEDPRJKAJAL-MSOLQXFVSA-N 421.505 1.232 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1 1517328952 CPJAVHMGDHDCNU-HNNXBMFYSA-N 418.523 1.229 30 10 HDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)C 1517808307 DPNLWEFESQREAC-GDBMZVCRSA-N 412.560 1.689 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2COCCO2)cc1OC 1518163850 AVBWJCJKCNNRHH-HOTGVXAUSA-N 415.450 1.106 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1519398712 MQJQWJSSFQIOSG-UHFFFAOYSA-N 408.466 1.400 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1530092913 JLHJVYHVALLMSA-CQSZACIVSA-N 405.879 1.345 30 10 HDEE C#CCN(C(=O)CN1C(=O)C(F)(F)c2cc([N+](=O)[O-])ccc21)C1CCN(C)CC1 1536122212 FBUBWKQKQRCQPO-UHFFFAOYSA-N 406.389 1.589 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2=O)cc1Cl 1538587597 WPQBUEORMFFOOP-QAPCUYQASA-N 416.909 1.934 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1 1538610059 HOICXZMEUXMDMW-UHFFFAOYSA-N 410.459 1.701 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCCS(C)(=O)=O 1539031136 FBLSZWTYBUUEJV-HNNXBMFYSA-N 406.508 1.758 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1539205611 IZSKHLHHJWHVJR-GOSISDBHSA-N 418.519 1.287 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1539361725 CKGOIJXJDJZQDC-UHFFFAOYSA-N 420.473 1.873 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1539743212 YTDCCKVOQRIYHE-UHFFFAOYSA-N 401.515 1.753 30 10 HDEE Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1I 1540384008 MNXDQRPDJAEFHL-UHFFFAOYSA-N 424.198 1.762 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1540905579 XMSAYKIYFOEIRQ-QGZVFWFLSA-N 418.567 1.634 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(F)c(F)c1 1541920959 HXVDVXHSTIBIGQ-GFCCVEGCSA-N 424.477 1.955 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1542012731 DTMAGMMHEOQVSW-MRXNPFEDSA-N 401.515 1.080 30 10 HDEE CC1CCN(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1544527025 FUGACHXAZGVXAV-UHFFFAOYSA-N 423.521 1.397 30 10 HDEE CCOC(=O)Cc1csc(N(CCN(C)C)C(=O)CC2(C#N)CCOCC2)n1 1544764997 MGPMXYYGKFGXSX-UHFFFAOYSA-N 408.524 1.854 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1545147779 CMTZWIAPFVAGDE-PNHOKKKMSA-N 419.432 1.978 30 10 HDEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1547011148 HHYFNICTUOQZMW-HXUWFJFHSA-N 417.535 1.993 30 10 HDEE CCCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1547249339 WVZBZBATSFTVFJ-MRXNPFEDSA-N 410.526 1.911 30 10 HDEE CNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)c1 1554414953 APCCYPFWKYLKJY-GOSISDBHSA-N 417.473 1.785 30 10 HDEE CO[C@@]1(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1554716041 FQJFCLHQFCPDIW-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1554873507 UDLJTEXXBKAACA-IBGZPJMESA-N 424.505 1.989 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C(=O)OC)C[C@H]2[C@@H]2CCCO2)c1 1560165245 GGQIEDVHFAFZBZ-WDSOQIARSA-N 413.474 1.749 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CCC1 1561951677 BTPHLDKTKNCHQT-UHFFFAOYSA-N 412.309 1.864 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 1564721531 VOUNLHTZNDIWEK-UHFFFAOYSA-N 421.501 1.733 30 10 HDEE COCCN(CC#N)C(=O)c1c[nH]c2ccc(I)cc2c1=O 1570082969 KIZGPVMSRALADP-UHFFFAOYSA-N 411.199 1.745 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)c2snc(C)c2C#N)C1=O 1584665321 LXSUQPGOWFPLHM-IBGZPJMESA-N 413.459 1.762 30 10 HDEE CCOc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(C(N)=O)c1 1586515349 VFGPJXZREZSUQT-UHFFFAOYSA-N 405.407 1.873 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1587614018 BITNUHULFSSCDB-XLIONFOSSA-N 417.517 1.808 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1588059786 VBYZQRFSHYBJAS-INIZCTEOSA-N 421.567 1.020 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCCOC)CC1 1588750408 DCWTXGNGRMENFQ-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1589060240 PIGGHFPYIFICSU-INIZCTEOSA-N 416.551 1.091 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1593741037 IPHSPAOLGYJOMP-JKSUJKDBSA-N 400.487 1.255 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1593908724 OQILUAMHNUUSPK-HOCLYGCPSA-N 408.934 1.310 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1594802784 HFCQGPFPRJGBKM-INIZCTEOSA-N 413.526 1.766 30 10 HDEE C=CCCOCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1594829371 INWWMGKVIIFYFW-SFTDATJTSA-N 422.526 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595766336 PDCWHIGESXZTAI-UHFFFAOYSA-N 424.615 1.182 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCC2)CC1 1595798654 RRTMUAFTSSURNX-MRXNPFEDSA-N 409.556 1.057 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3nc(C#N)cs3)CC2)cc1 1598154418 BVZYYGLPZVUAGN-SREVYHEPSA-N 411.487 1.545 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)cn1 1611189424 PQQBGYKPKRMBEF-QAPCUYQASA-N 417.347 1.888 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCOCC1 1611286036 CBYCGEZPPPBSQN-MRXNPFEDSA-N 404.515 1.838 30 10 HDEE COCCOCc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1611620079 AXRGNGVZSLKFTA-UHFFFAOYSA-N 403.460 1.638 30 10 HDEE CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1613663080 WTUZPLPXLYXDPJ-WNHJNPCNSA-N 418.542 1.604 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1617594816 FHJOPRZQQQTJNG-MRXNPFEDSA-N 409.494 1.387 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)cc1 1619233904 CQLJAIIZJMLCAP-HXUWFJFHSA-N 400.458 1.602 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C)OC 1619598603 OYDQWKDZUWLBAR-QGZVFWFLSA-N 414.510 1.829 30 10 HDEE Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1C#N 1625735808 ACHYDXNPJWTZNN-UHFFFAOYSA-N 402.476 1.156 30 10 HDEE C#CCn1cc(CNC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)cn1 1626745178 SDRXYYRVQXXOPN-INIZCTEOSA-N 413.482 1.610 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(c3cc(OC)cc(OC)c3)CCCC2)CC1 1626966555 HFOAKRBCNIBCCU-UHFFFAOYSA-N 413.518 1.409 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 1627256378 VJTGUMPKEVULKH-OAQYLSRUSA-N 411.543 1.796 30 10 HDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1627357848 UPNQNSHUUAAQTK-QGZVFWFLSA-N 410.923 1.745 30 10 HDEE COC(=O)Cc1nc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)n[nH]1 1629780009 IGENVVFXVNAHLQ-UHFFFAOYSA-N 400.244 1.380 30 10 HDEE C#CCN(CC(=O)NCc1c(F)cccc1NS(C)(=O)=O)C(=O)OC(C)(C)C 1629804743 MYNUZPCSKBHRIC-UHFFFAOYSA-N 413.471 1.684 30 10 HDEE CCS(=O)(=O)NC1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1629999875 LYQPFCBXEJVMTR-OAHLLOKOSA-N 416.544 1.504 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCC[C@@H]1C#N 1631882389 IAGONHJQQVMWIP-GDBMZVCRSA-N 407.492 1.667 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417845 JORTZZMQDAZPPR-ZWKOTPCHSA-N 410.561 1.631 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@]3(C2)C(=O)Nc2ccccc23)c1 1633479708 HJEWANJKTFREPM-HXUWFJFHSA-N 413.430 1.859 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)CC1 1634558979 DWSOOEIHZBVTBI-FRIYVGAWSA-N 418.534 1.701 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1634594020 SLFWVMQONCYFMZ-AEFFLSMTSA-N 419.551 1.544 30 10 HDEE Cc1c(Br)cncc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1636222918 AFPPTOJYZVVCOI-UHFFFAOYSA-N 409.265 1.830 30 10 HDEE N#CC1(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CCOCC1 1637326550 CYVJHHYWPPJGNI-UHFFFAOYSA-N 411.549 1.902 30 10 HDEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 1637744849 TVVCVUHAOIAHDC-OAHLLOKOSA-N 420.535 1.130 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C(=O)OC(C)(C)C)CCCO3)CC2)c1C#N 1638690833 OLRCNAJUWNEMKO-FQEVSTJZSA-N 403.483 1.140 30 10 HDEE C=CCn1c(SCC(=O)N[C@@](C)(CO)C(=O)OC)nnc1-c1ccc(Cl)cc1 1638857469 KWIWOSHKLMEXAX-SFHVURJKSA-N 424.910 1.917 30 10 HDEE CNC(=O)NC1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1639151650 LHAHSXDGGGBGDV-UHFFFAOYSA-N 401.316 1.828 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cnc(C(F)(F)F)c(C#N)c2)cn1 1640674935 JIPJTYVGHQSNTB-CQSZACIVSA-N 406.368 1.740 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 1643499553 UMKIELBRMLUROQ-LJQANCHMSA-N 400.460 1.192 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)N3CCN(CC)CC3)ccc2Cl)C1 1644618598 CEUYVNQKZKLVRM-UHFFFAOYSA-N 413.902 1.464 30 10 HDEE C=CCc1cc(C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc(OC)c1OC 1651261294 CEHLVQCFSPSSSY-HNAYVOBHSA-N 411.476 1.138 30 10 HDEE Cc1oc(NC(=O)CN2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)c(C#N)c1C 1654262509 VQFORRDKGYPDPM-HXUWFJFHSA-N 422.482 1.295 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@](C#N)(c2ccccn2)C1 1655280283 DXLZBCKFFAUZJN-VOMPUTFMSA-N 400.504 1.919 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCN(CC(F)F)CC2)c1 1655846114 PSMVPKWQADZSHE-UHFFFAOYSA-N 401.479 1.858 30 10 HDEE CN1CCCC[C@@H](N(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1=O 1659694439 JDARBDOFEDETRV-WOJBJXKFSA-N 415.513 1.477 30 10 HDEE N#C[C@]12CN(CC(=O)NCC3(c4ccccc4)CCCCC3)C[C@H]1CS(=O)(=O)C2 1660453054 YLDQFRFRJLDLKP-SIKLNZKXSA-N 415.559 1.875 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 1662927448 GVSDEPYNYGOESC-CMPLNLGQSA-N 400.254 1.440 30 10 HDEE COc1cc(C)c(Br)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1676075721 CYAADKNTRWZWCE-UHFFFAOYSA-N 422.239 1.722 30 10 HDEE C#Cc1cccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 1677815027 ZUVQVIYBCTXIRL-UHFFFAOYSA-N 405.520 1.440 30 10 HDEE COc1cc(CNC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)ccc1C#N 1680912951 NCDOLBPCYDTDJJ-UHFFFAOYSA-N 402.476 1.646 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(-n2cccn2)c(F)c1 1681441405 MERHHRRLIPWGFQ-LBPRGKRZSA-N 423.408 1.473 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2nn(C)cc2I)CC1 1682306338 QYIXXGWIDRHCKF-UHFFFAOYSA-N 402.236 1.085 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1685052445 YHIATLJQNGZJSV-SJORKVTESA-N 409.527 1.866 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 1685465903 BMQZXBILJXDYMS-ZDUSSCGKSA-N 419.532 1.860 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1689850587 DXFKTZHZWKTJHY-DOMZBBRYSA-N 407.565 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690099864 OHGVRAJBDSPYIO-FXAWDEMLSA-N 400.483 1.103 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1 1690328105 FBSBYGYDLAQTGS-LBPRGKRZSA-N 401.924 1.401 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1690655391 RPFQNDCSLDDJFP-HOTGVXAUSA-N 420.583 1.927 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1690675224 SMKJYLQNCQSPIO-OAQYLSRUSA-N 418.542 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1690726621 GTXRULGVEWIEAS-TZMCWYRMSA-N 422.473 1.987 30 10 HDEE CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CC1 1695873070 GEUIGWCUHBTRAT-QZTJIDSGSA-N 416.574 1.165 30 10 HDEE COCC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697877343 PCKBRFQNVAXEGE-VXPUYCOJSA-N 416.526 1.866 30 10 HDEE C=CCOCCCC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1701333205 SYOPFSJAVOHAEF-JIPVWKOYSA-N 404.507 1.223 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)C(=O)OC(C)(C)C 1705540261 RYVKFSGVMBKXAI-UHFFFAOYSA-N 404.515 1.841 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1705611180 SOWLOJICZKQYOS-JOCHJYFZSA-N 424.505 1.439 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OC)c1OC 1705628053 WOOICIBVKUNPIH-INIZCTEOSA-N 413.478 1.381 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cccs1 1705628391 FMZQPMAWIDATKI-MRXNPFEDSA-N 417.535 1.750 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705658534 SIRWGPZZQABKPJ-MRXNPFEDSA-N 411.491 1.976 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1 1705695524 BREIUGWVCFZBLD-FPCVCCKLSA-N 413.544 1.095 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1705899199 KVCDEBUKCJMGFO-UHFFFAOYSA-N 403.450 1.039 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC)c2)C1 1705915790 WLZIZBUCMPOTCZ-KRWDZBQOSA-N 422.493 1.971 30 10 HDEE Cc1nnc(N2CCC(Cn3cccn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1707883914 SPCJLWBQEPQZSJ-VHEBQXMUSA-N 410.482 1.226 30 10 HDEE CCn1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1710189253 FVHZIDLDEANKKE-XLIONFOSSA-N 415.498 1.312 30 10 HDEE CN(C)CCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1711016073 YUSNBKOVGKESCV-SFHVURJKSA-N 421.505 1.800 30 10 HDEE CN(CCN1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1711221237 YBRCDOBGIYWJCF-SFHVURJKSA-N 400.483 1.801 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1711275057 AQUVZXFAGARFPF-UXHICEINSA-N 418.448 1.505 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1711520884 GGTRZOPKCDDAJI-RDJZCZTQSA-N 410.478 1.575 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722564714 DIIFKGCXQCJMKW-JKSUJKDBSA-N 424.496 1.742 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722647572 MFEFNNHMDYSCSY-LJQANCHMSA-N 406.508 1.071 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCOC2)C1 1722710922 QGVBYAMCAGTRHJ-UIFIKXQLSA-N 422.526 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCOCC2)C1 1722720296 AROBVOLKEDOPAL-FQEVSTJZSA-N 412.538 1.768 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1722814853 NAAYVLNHKZFKEO-UXHICEINSA-N 424.505 1.727 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1723190863 DNIQQVQOWAMGFY-UHFFFAOYSA-N 424.509 1.837 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1729309438 MGLXUGZDERYYLS-GFCCVEGCSA-N 419.283 1.525 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1730274758 BPVAWYKGJMBYRJ-OAHLLOKOSA-N 410.478 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccoc1 1736553336 BIJMPCWWPIBDBY-BCDMZGRMSA-N 401.463 1.239 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1740546828 LKYSQFAQDDLSEX-CVEARBPZSA-N 404.474 1.995 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC2(O)CCC2)c1 1740564333 JWEJXLYFLAKSIC-KRWDZBQOSA-N 409.490 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 1740657120 PYNMBPILMOVIMX-SJORKVTESA-N 406.577 1.929 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740718216 KBACGJXPXBVKIL-RDJZCZTQSA-N 418.567 1.579 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)[C@H](C)CC 1740724705 HSPJKGDNLREMQJ-WTLGNFPFSA-N 411.572 1.678 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740784425 SRYCYJVDZHKRSM-UHFFFAOYSA-N 423.521 1.111 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740864017 ITTBYGYHNGVJIE-HOTGVXAUSA-N 407.540 1.348 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](n2cncn2)C1 1740956632 WGTCXNJGIXRKDA-MRXNPFEDSA-N 422.493 1.689 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2cncn2)CC1 1740958315 NBEIWTMBVCODHK-QGZVFWFLSA-N 414.514 1.330 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740959788 DYTRIXRCCALLOI-HZPDHXFCSA-N 418.542 1.215 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1741800031 SSTXHBSPYWWQQR-KRWDZBQOSA-N 418.509 1.921 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(F)cc1 1741925061 GGIPVEOTHXQDAS-FZKQIMNGSA-N 424.477 1.712 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1743880598 AFMURDJJNODING-KKSFZXQISA-N 415.542 1.949 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC1CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1748814837 JVNKRVJGVFXTNH-IIIMJFFVSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCO[C@H](C)C1 1748855914 LSWHLVIKHFXRGI-OAQYLSRUSA-N 423.565 1.713 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1748913423 VILQHHWLWBDAGD-WIYYLYMNSA-N 403.527 1.648 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cnccc2OC)CC1 1748993958 RSITUSKKHXAEKQ-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC[C@H]1C 1749196722 XEPAAYJXRVSNRO-XJKCOSOUSA-N 422.511 1.262 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1749533356 HSTFLNOUIGGGRG-QGZVFWFLSA-N 412.494 1.726 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749657886 FAGIMNHMUHVKIO-OPAMFIHVSA-N 422.489 1.503 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749932564 DUFFEZXSGFQVAE-YOMUGFJLSA-N 424.505 1.462 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1751283618 QVBODALZBAENNU-QFIPXVFZSA-N 422.489 1.777 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1751922417 BFXHWPRJUICCDQ-UHFFFAOYSA-N 417.464 1.552 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1760097446 FDWWHGLRJNSXSR-TWMKSMIVSA-N 410.588 1.467 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1760102771 QHICLRCRDHXIBB-DOTOQJQBSA-N 418.519 1.612 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760137636 LOMFNVYXAGZWEZ-SQNIBIBYSA-N 406.552 1.989 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1760157468 QCISSKCMQSCXBJ-LJQANCHMSA-N 400.508 1.385 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nncn1CC 1760250990 PJOZFOGDBWQFQH-UHFFFAOYSA-N 419.493 1.262 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCn1ccnc1C 1760251394 ZKZAVQPIXKVLQQ-UHFFFAOYSA-N 418.505 1.808 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760305425 FWIHGWKXFBWOBV-CHWSQXEVSA-N 409.288 1.884 30 10 HDEE C[C@@H]1CCCCN1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1762866776 VILCYWBXYVNREG-FGTMMUONSA-N 415.542 1.613 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1766870047 GMEMWFFXMNANBD-KRWDZBQOSA-N 418.505 1.707 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1767693810 DVAOGYUEQCICOW-LPBNZCGVSA-N 424.505 1.448 30 10 HDEE CO[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769552172 JWQBMFZFTXRWFV-ZDUSSCGKSA-N 411.466 1.084 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1769675939 CFZJASALIAYVSY-INIZCTEOSA-N 412.494 1.822 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCN(C(C)=O)C1 1770177892 VCGVOHKBEQLKOC-BVBHFADKSA-N 418.542 1.856 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCO[C@@H]2CCOC2)CCO1 1771539250 RPEGTRIZPSQRNM-UXHICEINSA-N 411.506 1.988 30 10 HDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCN(C)C1=O 1848761408 SDUAUZMZKGOXHK-IAQYHMDHSA-N 417.890 1.391 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccccc2F)CC1 1850775937 KBJWNHSAOCEEAD-GOSISDBHSA-N 409.527 1.686 30 10 HDEE COc1nc(=NC(=O)c2ccccc2C(=O)N2CCN(C(C)C)CC2)c(C#N)c(C)[nH]1 1851112629 WXKCJGKDBRSJEO-UHFFFAOYSA-N 422.489 1.506 30 10 HDEE Cn1[nH]c(=NC(=O)c2ccc(CC#N)cn2)nc1N1CCN(c2ccc(F)cc2)CC1 1852030825 SAVRGRAGRLXSMK-UHFFFAOYSA-N 420.452 1.416 30 10 HDEE CN1C[C@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)CC1=O 1852036029 VURFMHCRCTVXDB-SNVBAGLBSA-N 421.198 1.523 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)nc1 1852489390 RHUVUJPQGAIECN-SFHVURJKSA-N 411.506 1.410 30 10 HDEE COc1ccc(-c2cc(CC(=O)N3CCN(c4nccc(C#N)n4)CC3)no2)cc1 1853080810 UTBGTPGPXJFSIM-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE Cc1nc(C(=O)N2CCN(CCn3cccn3)CC2)c(C#N)c(C)c1Br 1853356717 ONLXZORVPNBZSV-UHFFFAOYSA-N 417.311 1.987 30 10 HDEE COCC(=NOCCc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853436650 YSENRZOUCMJURG-UHFFFAOYSA-N 403.460 1.679 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1853681749 CWBISHMMOHZHAD-IBGZPJMESA-N 417.531 1.776 30 10 HDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853948063 IODBXTCEBFNGAC-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cncc(N3CCCC3)c2)C1=O 1854194886 WWWHPOSLXNHGQA-RTBURBONSA-N 411.506 1.142 30 10 HDEE Cc1oncc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854354172 GIFQOLNKNYSEBT-QGZVFWFLSA-N 411.437 1.553 30 10 HDEE Cc1noc(C)c1CN1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1855120614 CJILRRRWXFYPKL-FQEVSTJZSA-N 407.474 1.722 30 10 HDEE COCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(CCC#N)c3ccccc3)ccc21 1855124404 HUUVDFKFKFWRGW-UHFFFAOYSA-N 413.455 1.858 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3cccnc3)C2)CC1 1855836727 AZIKESBSVAVYLA-SFHVURJKSA-N 404.474 1.088 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(N(C)C)nn2)CCN1CCOc1ccc(C#N)cc1 1855908247 HFPXANGWPMEOQH-HNNXBMFYSA-N 408.462 1.166 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)C3CC4(COC4)C3)C2=O)CC1 1855909826 QZTIADIFGZATBR-GOSISDBHSA-N 409.490 1.019 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@H]3OCCc4ccccc43)C(=O)C2)cc1 1856350539 WFPWPKIHPKQGEG-QFIPXVFZSA-N 405.454 1.922 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2nc3nccnc3cc2Br)C1=O 1856553054 OEBQNYMXHLAHDM-GFCCVEGCSA-N 403.240 1.374 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3COc4c(cccc4OC)C3)C(=O)C2)C1 1856857617 LCTQCZVKRPVJLX-RTBURBONSA-N 413.518 1.568 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(Cc4ccccc4)C3)CCC2=O)CC1=O 1857068062 LRTAUWIILVXIFS-TZIWHRDSSA-N 409.530 1.961 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2snnc2CC)C1)[C@@H]1CCN(C)C1=O 1857068653 PVECJAAAPMUYJU-UKRRQHHQSA-N 405.524 1.198 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857076763 OMXVKSAMUIIHPD-QFBILLFUSA-N 409.490 1.432 30 10 HDEE Cc1ncn(CC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)c(=O)c1C 1857291717 PCMUVTYIWJZNJL-MSOLQXFVSA-N 411.506 1.251 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(=O)cc1C(=O)O 1857889968 CDGJLVLNMCTFIJ-UHFFFAOYSA-N 403.347 1.667 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)NCCN3CCOCC3)n3ccccc23)c1 1858241757 CJXBPVPVHKVYCA-UHFFFAOYSA-N 418.457 1.520 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858337336 ZOGNIMTUUXCVOX-KRWDZBQOSA-N 419.528 1.917 30 10 HDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614154 VMRIISGILFRCCY-ZFWWWQNUSA-N 405.882 1.995 30 10 HDEE N#Cc1cc(Br)c(NC(=O)[C@@H](N)CCC(N)=O)c(Br)c1 1866105622 ONKSWKOVXBSOHV-VIFPVBQESA-N 404.062 1.615 30 10 HDEE C=CCOc1ccc(C=CC(=O)OCC(=O)c2c(O)nc(=O)n(CCC)c2N)cc1 2040420021 QGZIKUMSJBWXMH-UHFFFAOYSA-N 413.430 1.945 30 10 HDEE Cn1nc(CN=C2N[C@H]3COC[C@H]3CS2)c(I)c1Cl 2117762991 HNIHLVQSYMAEAH-XPUUQOCRSA-N 412.684 1.886 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)c2ccc(C#N)s2)C1 2124804978 ZYASQXVTPYYCQP-GFCCVEGCSA-N 401.510 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CF)(NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783933 ILZLQLVPEABCMN-QGZVFWFLSA-N 405.492 1.575 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N(CCO)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2174784821 RXDIKFGEPVECMI-CVEARBPZSA-N 403.545 1.806 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](C(F)(F)C(=O)O)C1)C(F)(F)F 2184078102 KOXBTKNHWRSAOP-ANLVUFKYSA-N 400.222 1.554 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](CN)C(C)(C)S(C)(=O)=O 2194761069 KWCXIFXYZSAORC-MRXNPFEDSA-N 401.573 1.472 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402748 MORVDGGCWCTDKV-UHFFFAOYSA-N 410.280 1.285 30 10 HDEE CN1CCC(CNC(=O)OC(C)(C)C)(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247931510 FUKSDPAIBWZCAK-UHFFFAOYSA-N 421.347 1.727 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2263329861 CWMLEZUGPMLTJZ-QMMMGPOBSA-N 411.260 1.897 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC=C[C@@H](O)C3)cc2Cl)OC1(C)C 2267354174 AIKDMBUXGMHFOQ-SNVBAGLBSA-N 405.734 1.622 30 10 HDEE C[C@@H](CN)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267464481 IFXJNXZNMFVXOU-VIFPVBQESA-N 409.144 1.918 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOC1CCOCC1 2282317290 OZZBADSCSUZRML-UHFFFAOYSA-N 403.331 1.745 30 10 HDEE CNC(=O)CCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282326099 NTPHZEDZJPEPSR-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C 2282333184 LHXGVMZKXYKWOO-QWHCGFSZSA-N 400.375 1.760 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CCNCC1 2282333506 PQRGXAIZIADXSP-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@H]1CC[C@](CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282346527 OOKDFBXORORHHJ-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2CC(O)C2)c1B1OC(C)(C)C(C)(C)O1 2282417890 KUFBWAHAMBRBCB-UHFFFAOYSA-N 401.359 1.713 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC([N+](=O)[O-])C3)c(Cl)c2)OC1(C)C 2282502929 RPKFGFYTVHLSQT-UHFFFAOYSA-N 402.665 1.289 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@H](N)[C@@H](O)C3)sc2Cl)OC1(C)C 2282612494 UBDLTBIXNDOWCH-USWWRNFRSA-N 400.737 1.529 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H](O)C(F)F)OC1(C)C 2282828571 QQZJFQGMXYLBMP-LLVKDONJSA-N 411.663 1.544 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)N(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2282828597 REAZRMSCMPAFKJ-VWLOTQADSA-N 402.347 1.557 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282857812 NFBWHHRVDWSQAM-CQSZACIVSA-N 402.391 1.912 30 10 HDEE CCN1CCC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860445 AIAYOZVYDCUCIA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1N 2282866741 OHAVYRWIUYQZDM-XHDPSFHLSA-N 400.737 1.607 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2C[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284411360 JGEVSFZSKJCPSK-QWRGUYRKSA-N 401.315 1.355 30 10 HDEE CO[C@@H]1[C@H](O)C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2286749989 SKPGXTRPDINXIZ-FOGDFJRCSA-N 423.749 1.127 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@](NCCC#CBr)(C(=O)O)C1 2306023062 OFWYBXKISGCURM-MLGOLLRUSA-N 405.289 1.801 30 10 HDEE CCCOc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 2323028644 MLAKWILTDUFOFT-UHFFFAOYSA-N 407.408 1.523 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H]3CC(=O)O)s2)OC1(C)C 2360944428 RVKYPSHYGHLIEA-WDEREUQCSA-N 401.315 1.436 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2365201232 GRSKYSNYUYAJGR-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1 2367794797 JCEXOQPRPCPZCW-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 2367798343 QGPIURXYPXGENP-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2367802326 ACNSZMXKCGTPEH-RVKKMQEKSA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COCC)NC(=O)OC(C)(C)C 2367802616 CTNIHGNHFHFLTN-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2367808972 IORHUTJHMCSPKG-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367810939 CNSNFVKTQGRACT-ARFHVFGLSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367847717 HIRCNGZUGOUMOH-WCQYABFASA-N 407.435 1.142 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@@H]1CNC(=O)OC(C)(C)C 2375783543 CEGLQNFZCFJDLK-LBTNJELSSA-N 402.513 1.420 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2375785802 TWWPHWQLSRUJEB-IYOUNJFTSA-N 402.513 1.514 30 10 HDEE CNC(=O)CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(C#N)cc1 31449237 RKEMAROSOMIQLT-UHFFFAOYSA-N 404.430 1.055 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3c(OC)cc(OC)c(OC)c3[nH]2)CC1 57194357 KEOSXTKEJKVGFC-UHFFFAOYSA-N 416.478 1.254 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CCC=C(CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 252670766 LQQVURUBFJKELJ-NITNELKASA-N 422.474 1.605 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCCc3c2cccc3S(N)(=O)=O)cc1 440382425 KCCPHRKGSFFMKL-UHFFFAOYSA-N 405.501 1.432 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446621975 BWXMAFBJJLAOMD-UHFFFAOYSA-N 423.521 1.904 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462085596 SRBYJYIXIUBZEF-OAHLLOKOSA-N 410.482 1.203 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(Br)c2)CC1 462463235 GOLUHMOAUZZIIY-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]nc2-c2cccc(OC(F)F)c2)CC1 463350836 LTYBECKMZDBFIK-UHFFFAOYSA-N 419.432 1.738 30 10 HDEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 471921895 KKDKEDKRHDQPQF-AWEZNQCLSA-N 403.254 1.523 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)c4ccnc(C#N)c4)CC3)n2)cc1 474428010 CQKXTJLRBFXTHE-UHFFFAOYSA-N 404.430 1.970 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 484205245 DPJJAWYGLBBPDQ-MRXNPFEDSA-N 408.462 1.665 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@](C)(C(N)=O)c2cccc(C(F)(F)F)c2)cc1C#N 489518270 GDUDNLBHWHWNOY-INIZCTEOSA-N 412.393 1.960 30 10 HDEE CCc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)ncn1 495419215 ABTMQZWKZJXWBW-IBGZPJMESA-N 420.521 1.806 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 505948490 WGCCLWBMHNJFIT-RBZFPXEDSA-N 406.435 1.533 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cnc(C)s2)CC1 508497055 IPTNTBILONXABX-OAHLLOKOSA-N 422.580 1.453 30 10 HDEE COc1ccc(C(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 533141734 HOWUNDORNGWAMF-AWEZNQCLSA-N 407.492 1.480 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(SCCC(=O)OC)c2)CC1 535979165 WDLXWVBTEBYWKL-UHFFFAOYSA-N 420.535 1.794 30 10 HDEE COC(=O)c1cccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C#N 535982085 YAZYOIXVJMVXCV-UHFFFAOYSA-N 424.482 1.723 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 549687452 DNWMXTYZTBNSIN-GOSISDBHSA-N 418.542 1.077 30 10 HDEE C[C@@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)n1cnc(C#N)n1 552296154 MEYNIECTHVKVKK-VIFPVBQESA-N 417.278 1.112 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 558676009 APHDXAODCFXQRE-OAHLLOKOSA-N 424.505 1.649 30 10 HDEE Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 559022262 RWLMOYMHXCGPKQ-HNNXBMFYSA-N 423.864 2.263 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)CC3(C#N)CCCC3)no2)cn1 584690087 UPBTWNYFSQTGRM-AWEZNQCLSA-N 406.468 1.257 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 588289012 HUNRZLQIWKDPQI-AWEZNQCLSA-N 422.507 1.521 30 10 HDEE Cc1nc(NC(=O)c2cn(CCCC#N)c3ccccc23)c(C(=O)NCCO)n1C 590334042 WYPUBPVXRJAFBT-UHFFFAOYSA-N 408.462 1.961 30 10 HDEE COC(=O)CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 591729831 FCSSFKNFGJDYEO-UHFFFAOYSA-N 415.471 1.428 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccccc1C#N 604001430 PEDRYYYRHBAUQH-UHFFFAOYSA-N 414.490 1.637 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2nnc3ccccc3c2=O)cc1 604545629 YYCHWGKIUYKEEO-QGZVFWFLSA-N 420.454 1.203 30 10 HDEE N#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 609601537 VYKWHEWHDMSGRZ-MRXNPFEDSA-N 423.491 1.832 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)ccc(C)c2Cl)CC1 614603878 SUASXZYSQWOINN-UHFFFAOYSA-N 406.335 1.910 30 10 HDEE N#Cc1ccc(CCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 619584943 OFJIBMMDCMQFCO-UHFFFAOYSA-N 415.471 1.856 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727417933 LJPYWTNHUHHSTO-UHFFFAOYSA-N 421.478 1.709 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 730312468 PYHZKFNTPNCSMG-OAHLLOKOSA-N 413.459 1.537 30 10 HDEE COc1ccc(Br)cc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 746183194 GMWZRKPAKKEOFH-MSUUIHNZSA-N 408.252 1.990 30 10 HDEE CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746189257 MNBVMSOWUUVENL-MGPWXQLLSA-N 418.475 1.056 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)s1 748066752 URNZBXHJTHDFNC-AWEZNQCLSA-N 415.540 1.726 30 10 HDEE COC(=O)[C@H](OC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(C#N)cc1 756219111 HITUWQIKYQHBBF-IERDGZPVSA-N 407.382 1.684 30 10 HDEE C[C@@H](OC(=O)c1ccc(CC#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 758688521 GDTQLKIEPLXHSY-ZIAGYGMSSA-N 415.471 1.823 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 762733753 MANWHXLWBQDCHR-ZDUSSCGKSA-N 403.416 1.922 30 10 HDEE C#CCN(C(=O)NCCc1ccc(F)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774181352 UNKVAPKPYPBLIY-CYBMUJFWSA-N 417.300 1.963 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 787062375 ZYDJCIGNWBHYFV-PKOBYXMFSA-N 420.425 1.969 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C(C)C)c1=O 794581824 QOLWWZCBRBQCRS-UHFFFAOYSA-N 400.504 1.206 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCC(CNS(C)(=O)=O)CC2)c1=S 795672746 XUFTXGIGRJRQKM-UHFFFAOYSA-N 423.568 1.276 30 10 HDEE COc1ccc(CN2CCCN(C(=O)COC(=O)c3cc(C#N)ccn3)CC2)cc1 803846202 XDWSPWMXKQBSEM-UHFFFAOYSA-N 408.458 1.853 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)c1 803849709 QFJVGSCZMJWXIO-CQSZACIVSA-N 419.484 1.387 30 10 HDEE N#CC1(OCCOC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCOCC1 809081202 DGMBQLMFNRXAEC-CQSZACIVSA-N 414.505 1.534 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](CNC(=O)C(F)(F)F)C3)cc2C1=O 810905717 ZGNRSAJRONSAQD-GFCCVEGCSA-N 423.391 1.999 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856532649 TYVNLCMINIZMGE-DLBZAZTESA-N 402.451 1.378 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 856599942 UVNLKIFLRAFCBN-LPHOPBHVSA-N 403.527 1.775 30 10 HDEE N#Cc1ccccc1/C=C\C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 915598205 MQEZKFLMNCBRTK-YVMONPNESA-N 413.455 1.937 30 10 HDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nnc2n1CCCCC2 917504736 CPWFPSQTCHFFFX-RMRKRWHISA-N 402.524 1.907 30 10 HDEE N#Cc1c(Cl)nsc1N1CCNC(=O)CCN(C(=O)C2=COCCC2)CC1 952879673 KNTDMIQKIPVXAU-UHFFFAOYSA-N 409.899 1.517 30 10 HDEE CCC(C)=NNc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084255179 MIQZSIPMDAPOCH-UHFFFAOYSA-N 411.513 1.771 30 10 HDEE C#CCN(C(=O)c1ccc(-c2ccccc2OC)nc1O)[C@H]1CCS(=O)(=O)C1 1125883269 JMCBDTBJJXHVPX-AWEZNQCLSA-N 400.456 1.725 30 10 HDEE COC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1132307752 SQASENDFBZHBAF-LAUBAEHRSA-N 401.463 1.892 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccnn2C1 1133019984 YUGMUYLAFGWATF-HNNXBMFYSA-N 413.503 1.838 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1134547425 QXKQPIWPTVOFJQ-LJQANCHMSA-N 407.426 1.593 30 10 HDEE C=C[C@H](COC)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1138582748 KQPOTIDIBHXMOD-KGLIPLIRSA-N 402.538 1.605 30 10 HDEE CC1(C)OC[C@H](/C=C\C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1141411960 SXDUKWASOQFJIK-SBSDFTTDSA-N 405.476 1.099 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 1141496261 NXGQSUPBLMSWMP-INIZCTEOSA-N 423.498 1.930 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2c(Cl)cccc2Cl)CC1 1152967824 REXPVCBWDBMHCZ-LBPRGKRZSA-N 404.319 1.709 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2ccc(Cl)cc2)CC1 1175514943 LCBPHJDEXHATGI-UHFFFAOYSA-N 401.941 1.185 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCOc2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1176743189 BBGJJKMOHVKPPS-MSOLQXFVSA-N 421.519 1.655 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1 1177366892 DPOIFUZZNIKEGU-KRWDZBQOSA-N 406.442 1.524 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)n1 1206088112 GMMFKYCYGATPRB-UHFFFAOYSA-N 424.461 1.561 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnnn3-c3ccccc3)C2=O)cc1 1211727191 DRJKSBACOPTKLK-GOSISDBHSA-N 422.470 1.218 30 10 HDEE CN(C)CC#CCNC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1255092266 QVPKGPAJLJUAIN-UHFFFAOYSA-N 409.575 1.574 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1275548845 ALBZLMRJUOQWFW-QGZVFWFLSA-N 406.504 1.734 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1286274253 NCLWDXSPBQYPEG-OAHLLOKOSA-N 419.493 1.750 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1286276400 REOYWLKCFRUUIF-JHVJFLLYSA-N 401.511 1.399 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCC1(O)CCOCC1 1286383111 XKYJJRCLDFCRQG-UHFFFAOYSA-N 400.479 1.867 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCC[C@H]2C)CC1 1286471131 HAHBYDLXGHCGQQ-LVCYWYKZSA-N 405.543 1.308 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCn2cnnn2)CC1 1286475266 VFMQBUGVLIIEEB-UHFFFAOYSA-N 411.901 1.431 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OCC)c2)CC1 1286476802 GBJNZDZEZDCYDH-UHFFFAOYSA-N 405.506 1.881 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286608265 OYZFZRSVSKGHPV-XMTFNYHQSA-N 424.567 1.492 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286783534 UTFXMPXZVHSTKV-HXUWFJFHSA-N 416.913 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286820613 OJOUMBCOMVXWBT-GOSISDBHSA-N 418.567 1.713 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1286828226 JQCQUEHYVZGERT-UHFFFAOYSA-N 402.524 1.730 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)C1 1288976747 DFLWLLWRLWVTAF-TWOQFEAHSA-N 402.499 1.555 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)S1 1291204979 CGCYFQBSDZDPPC-JHJVBQTASA-N 424.552 1.731 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1294530775 CVCXCVVYOQNWPD-INIZCTEOSA-N 401.316 1.828 30 10 HDEE CCCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1294634388 SWGRYDBAVJYZEN-QGZVFWFLSA-N 403.531 1.267 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCOC)CCOC1 1296591708 LYSAYGFKWKFWRN-HXUWFJFHSA-N 407.515 1.723 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1297372764 CYBNLKUOYMYCNI-LJQANCHMSA-N 413.522 1.503 30 10 HDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1297480777 ZYDBJYYSKGWVJQ-GOSISDBHSA-N 409.494 1.799 30 10 HDEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(C)(C)C 1299634144 GISLCJXYWZFVIW-ZFWWWQNUSA-N 412.560 1.689 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1299960856 IWDACTAJSDRISD-MSOLQXFVSA-N 408.520 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1300270101 BDGOGRSMGABZII-GJZGRUSLSA-N 419.551 1.622 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1300309526 UMEOXZMRFYDNSB-FUHWJXTLSA-N 411.510 1.325 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC(=O)N2CCCCC2)CC1 1300726758 PRSJAVFWEYZLMM-UHFFFAOYSA-N 400.527 1.209 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301155294 LOHQSCJNSBPILY-HZPDHXFCSA-N 400.527 1.718 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1301261069 ATXONXDWJGHOTQ-GUDVDZBRSA-N 405.543 1.879 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccc2c(c1)OCCCO2)c1cc[nH]n1 1303742229 YVYBSSFYVKBKNM-UHFFFAOYSA-N 416.434 1.214 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1303847596 JOUXSYPGICQWSZ-XQHKEYJVSA-N 409.430 1.057 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@H]1CCCO1 1304200706 OQMCAEAXPQUVLX-JKSUJKDBSA-N 421.519 1.302 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)cc1 1305589900 AGSIITNRDFWOAY-UHFFFAOYSA-N 411.439 1.504 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1306198710 PREMIXUPAIYRLB-QGZVFWFLSA-N 410.526 1.154 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1306854207 AMMKWUFOBQUTRZ-ZWNOBZJWSA-N 406.382 1.053 30 10 HDEE COC(=O)C1=NO[C@]2(CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)C1 1308014080 CRNGXWYVODYAIK-VBKZILBWSA-N 402.426 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCC2(CC#N)CC2)CC1 1312616436 YSSGJDMLXYOUHP-INIZCTEOSA-N 419.526 1.934 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 1312990284 QTVGPFBULJVDMB-UHFFFAOYSA-N 412.519 1.991 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1313191705 YOVZLKMLCGYZRU-HPGBDJQBSA-N 403.504 1.511 30 10 HDEE C#CCC1(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)CCCCC1 1313390147 IIGBTEOWOMATOR-LFDOHDQPSA-N 410.536 1.911 30 10 HDEE CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1314680173 HHSPZNGTPDSHDE-ZPHPHTNESA-N 423.433 1.978 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1316033389 IZPKRBALGLDGHA-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(F)F)CCO1 1316538683 AERKLQAMWIFVGA-BBRMVZONSA-N 421.404 1.801 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)CCO1 1316539078 BPDWORJZLFSDOF-KGLIPLIRSA-N 402.480 1.002 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNC(=O)c2ccccc2I)C1 1320964136 RMKSGCVIWKIWPU-LBPRGKRZSA-N 414.243 1.825 30 10 HDEE C[C@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)n1cnc(C#N)n1 1339843652 BSLGDCZPDWORMS-SECBINFHSA-N 411.285 1.440 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1357677047 AEVLSQKYLFTFFX-IBGZPJMESA-N 405.476 1.042 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358885850 SGGXOXICZCJYNY-GDBMZVCRSA-N 423.443 1.846 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1358930577 YATGCCKLQABGQJ-OWCLPIDISA-N 407.540 1.117 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCCC1 1358946087 IGETYSILKDPFKI-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1358980115 JRFBTSHAQCFASC-UHFFFAOYSA-N 421.473 1.111 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1359010409 OVRCJIHWZZGSOM-QGZVFWFLSA-N 407.540 1.571 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2=CCCCC2)CC1 1359040465 WATGQTUZDAGALV-UHFFFAOYSA-N 412.538 1.883 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359157311 FSEJEWMQVXQMNT-IHRRRGAJSA-N 404.920 1.378 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1359320743 UYXJVBQPZTXTNY-ICSRJNTNSA-N 419.570 1.800 30 10 HDEE C=CCSCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1359346896 ZAXJJYXGEWHURA-UHFFFAOYSA-N 403.508 1.721 30 10 HDEE C#CCN(C(=O)Cn1nc(C)n(C)c1=O)[C@@H]1CCOc2ccc(Br)cc21 1360557231 RHJIQJGWAVAHFD-OAHLLOKOSA-N 419.279 1.638 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(F)ncn3)CC2)cc1 1449984125 OBPVZZJYJQKEDS-UHFFFAOYSA-N 417.466 1.656 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)C(=O)OC 1451177538 FAKGCFXMTQMFLX-SFHVURJKSA-N 412.467 1.733 30 10 HDEE O=C(CN1C(=O)CNC1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456583799 GHSIOOMCXJUYRJ-OLQVQODUSA-N 409.233 1.168 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1463630276 CDHROCCEHHHMNZ-LJQANCHMSA-N 415.519 1.167 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1463912693 GTYOJOBWVAYAHP-WBVHZDCISA-N 417.510 1.466 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)C1 1466377443 TYEIXYQKHJQIJC-QMIVOQANSA-N 400.397 1.776 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)CCNC2=O 1470043110 DUGGPTXPNSBNKZ-UHFFFAOYSA-N 412.471 1.430 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1 1471959643 DVXVENIHRPQECP-HNNXBMFYSA-N 418.441 1.262 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COC[C@@H]1C1CC1 1472305079 FYHOWTRZNGRZLL-IAGOWNOFSA-N 405.520 1.827 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473824396 HVGXJWWUWMLQCR-SOZUMNATSA-N 404.517 1.306 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1475380091 XFXCFJBDEKZLKX-GFCCVEGCSA-N 413.293 1.747 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(OC)C1CC1 1505082003 LKELTKHUJITFMD-DZIWXPPMSA-N 405.499 1.546 30 10 HDEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1507593597 CUZBFUSMEWFXRZ-UHFFFAOYSA-N 414.535 1.749 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@H]1C 1507602509 BEIMSZGYBHUGFM-YVEFUNNKSA-N 408.300 1.655 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1507631526 FEJILSWQSZJCJS-HUUCEWRRSA-N 410.565 1.304 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1 1507712018 AGYCYLLTLRRZOF-KRWDZBQOSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCC(=O)NC)CC1 1507719180 YYKYPFFIDMXYQM-UHFFFAOYSA-N 418.448 1.438 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2CCN(C(C)=O)CC2)CC1 1507738074 JIALIOCVALQIKM-UHFFFAOYSA-N 412.538 1.380 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507785354 QAULVFNMRWHXBX-STQMWFEESA-N 419.345 1.704 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1507829564 CNWIHJQLCFSIAS-CQSZACIVSA-N 402.528 1.682 30 10 HDEE C=C(C)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507835122 LTLOCPOOGNFMSP-PMACEKPBSA-N 424.567 1.910 30 10 HDEE C=CCCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1507961784 GGDAMLJLSCPQKU-IBGZPJMESA-N 424.505 1.970 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508132631 XFYPIQCZCCZOQE-QBNCKDSPSA-N 412.494 1.538 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCOC[C@H]1C 1513923100 FEUBFKZCZSAFTB-IXDOHACOSA-N 410.526 1.890 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccc(C#N)o1 1516586002 MOBYAJAXXQXKEA-UHFFFAOYSA-N 418.461 1.921 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1517561586 CQROHEAFZNDSGH-YCRPNKLZSA-N 412.494 1.319 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 1519627972 IFEYZGKHFGOQEL-KXBFYZLASA-N 407.536 1.902 30 10 HDEE N#Cc1ccc(F)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 1535455435 LSHXTUKHOSXZTN-UHFFFAOYSA-N 409.464 1.961 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1539162471 SWSQSLKZJSQFGA-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2nc3cc(OC)ccc3n2C)CC1 1539469690 UNLMSSMZCNNYMN-UHFFFAOYSA-N 421.505 1.496 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnn(C)n1 1539540961 WXXPVKHRKHEAJK-HXUWFJFHSA-N 408.466 1.526 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539868338 JOKUATOWJBOEKY-INIZCTEOSA-N 407.540 1.351 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)c1 1540661020 JSZOELYSLQHGAK-UHFFFAOYSA-N 420.404 1.103 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](c2ccccc2)C1 1540868986 YRKHIZYPWORBGZ-QFBILLFUSA-N 421.505 1.947 30 10 HDEE CN(CC1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1)C(=O)OC(C)(C)C 1543157230 FEUXMRPONBBSIK-UHFFFAOYSA-N 419.482 1.316 30 10 HDEE Cc1c(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cnn1CCC#N 1544331510 NIMIZRQSVYTCBX-UHFFFAOYSA-N 415.519 1.936 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1 1544420146 BFOPIKQYJQYGJT-LIRRHRJNSA-N 406.508 1.902 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(C#N)c2N)cc1 1545163903 SHFJPPYYHSTNRT-LSDHHAIUSA-N 417.535 1.753 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)OC)C[C@H]1C(=O)OC 1546069335 KCKHJJHJPMMWEH-ILXRZTDVSA-N 410.467 1.246 30 10 HDEE CCCN1CCC(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CC1 1547168278 KAKQXISMDDUHDF-MJGOQNOKSA-N 420.558 1.853 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1547526849 WOROZBQCYNFTRE-GOSISDBHSA-N 404.478 1.855 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1552431723 QDUMXZYDACSAIF-PMERELPUSA-N 424.534 1.635 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1555777388 PJJWNSPHRMBVOA-NQIIRXRSSA-N 413.478 1.759 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C 1557252062 GIFAACQUHFNRPA-WMLDXEAASA-N 409.508 1.708 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1558110810 QFGZNDVEJBHMAF-GFCCVEGCSA-N 405.314 1.756 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3ccn(C)n3)CC2)s1 1558420346 VDSQMHBRVMRRLH-UHFFFAOYSA-N 408.549 1.895 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1558422183 VMXBIVMHNUZSEE-KRWDZBQOSA-N 408.520 1.687 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3(C#N)CCOCC3)C2)s1 1558775725 CQDLNWUWOPURMD-OAHLLOKOSA-N 411.549 1.894 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)cc1S(=O)(=O)NCC#N 1558784939 CZNHHEDZVAMPJR-QGZVFWFLSA-N 416.507 1.473 30 10 HDEE C#CC1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 1559938777 WNJKEGKKSFZMNW-UHFFFAOYSA-N 403.527 1.521 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1565004968 HCKWTEFIYAXLQI-WOJBJXKFSA-N 402.539 1.980 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3ccnn3-c3ccccc3)CC2)c1C#N 1565367557 UNTLCXOFTYGSNZ-UHFFFAOYSA-N 418.505 1.860 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(N)=O)Cc3ccccc32)s1 1565564935 PTNGISDMSMMBNM-AWEZNQCLSA-N 419.528 1.446 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC 1567242751 PCAOIJQUPYIZKZ-OLZOCXBDSA-N 400.863 1.646 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[C@@]2(O)CCOC2)s1 1570645171 SSZGDZSYJPLJOV-QGZVFWFLSA-N 402.538 1.049 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)c(OC)c1 1583197292 ANAOVQULBVDSGR-AWEZNQCLSA-N 420.425 1.914 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 1583820519 FITNIGTVTOQZQH-UHFFFAOYSA-N 423.429 1.505 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587646164 UCGODZJJKXVBRN-CVEARBPZSA-N 419.526 1.747 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(OCCN(C)C)cc1 1587970470 YSKNWWRFKWPXGP-UHFFFAOYSA-N 407.522 1.931 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1588261999 BDWSWWIHHCWEGP-SFHVURJKSA-N 424.553 1.411 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1588385498 IDGAHLZBARCRLI-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1593650313 VOUVCUIPQBALOE-UHFFFAOYSA-N 423.521 1.111 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1595555592 DNCWHTZCPFPKQE-QZTJIDSGSA-N 403.575 1.138 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)C1 1595791332 ZWBSTTCHVQQNOB-GAJHUEQPSA-N 408.502 1.589 30 10 HDEE C[C@@H](CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)S(C)(=O)=O 1596604251 FOQJXICKHNHGOV-SUMWQHHRSA-N 421.519 1.942 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)cc(OC)c1OC 1598244884 GRXWWTVZJBXFTD-COPLHBTASA-N 415.368 1.850 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)c(=O)nc1O 1611187773 FFXJEFUNNRNGRC-UHFFFAOYSA-N 405.867 1.666 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)cs1 1612403105 NQZNCQMOUQNLIY-IGNZVWTISA-N 406.487 1.616 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1613920688 UZTJNKCERZDLJI-VXPUYCOJSA-N 405.462 1.875 30 10 HDEE COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccc(OC)c1 1617811030 LNTNGYLUORYSPO-JXFKEZNVSA-N 407.426 1.950 30 10 HDEE COCCCNC(=O)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1617834144 JJIPDPNMBHXQMH-QGZVFWFLSA-N 424.542 1.965 30 10 HDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[C@](C)(C#N)C2)c1OC 1618436850 HPJSGNIHOBBRCE-LJQANCHMSA-N 423.491 1.100 30 10 HDEE COC[C@@H](Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C)OC 1619608081 CGVUWGYTVOOGSP-OAHLLOKOSA-N 400.483 1.772 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2ccsc2C#N)CC1 1621730793 BTMKWIGGQGCJQC-UHFFFAOYSA-N 404.517 1.767 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)c2cc3ccccc3[nH]2)CC1 1624728986 VCNZILLKWCRVOY-UHFFFAOYSA-N 402.458 1.903 30 10 HDEE CN1CCC(C#N)(NC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1628127133 WVJFWQFIJYBAGT-HXUWFJFHSA-N 405.499 1.637 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCC(=O)NC3CC3)C2)C1 1632913398 KUKQYQFOLDBXHB-FAGJFJLWSA-N 404.511 1.948 30 10 HDEE C#CCC1(O)CCN(C(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)CC1 1633140941 PLJABSHDHVREJZ-UHFFFAOYSA-N 416.522 1.986 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1639973913 PRBMRHAAFHRYKD-HZPDHXFCSA-N 422.407 1.576 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1640187154 VBRYIRSJTNLTLP-MRXNPFEDSA-N 421.494 1.164 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1CCOCC1 1640925781 QTVSEGNIVLIFFR-BPQIPLTHSA-N 407.555 1.757 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)c(OC)c1 1641760629 QJBJQDFWJMEHAD-QFIPXVFZSA-N 418.490 1.279 30 10 HDEE N#Cc1cn(CCNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c(=O)nc1O 1641967532 DHKXCUFGHQUKIZ-UHFFFAOYSA-N 417.425 1.034 30 10 HDEE CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@H]1C#N 1643438829 PYDMPPOLCNUHFP-PKOBYXMFSA-N 405.520 1.791 30 10 HDEE N#C[C@@]12CN(CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1644637453 YYYUNCFQJUYQNA-JBACZVJFSA-N 401.532 1.904 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)s1 1644829383 XTANXIQDCMYUFX-JOCQHMNTSA-N 414.549 1.991 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 1645781796 RPIFLFVDGLHNIC-UHFFFAOYSA-N 414.325 1.232 30 10 HDEE COc1cc(C#N)ccc1OCCN1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1647787953 QUYXLUQXGVWMEQ-OAQYLSRUSA-N 421.494 1.534 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)C1(c3ccc(C#N)cc3)CCCC1)C2 1647805215 UJIVTWFLCUHXTB-GOSISDBHSA-N 406.490 1.769 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 1652760926 GYYRFBNQXRGBNJ-OAHLLOKOSA-N 405.414 1.776 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC(CNC(=O)C(F)(F)F)CC1 1654323268 LVZFIFMSVKQFAB-UHFFFAOYSA-N 407.392 1.677 30 10 HDEE Cn1c(=O)c2c(ncn2CCN[C@H](c2cccc(C#N)c2)C(F)(F)F)n(C)c1=O 1654601130 NBGSJVJELSFHEN-CQSZACIVSA-N 406.368 1.199 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 1654985167 ZHAQIWQRNAHMKK-LJQANCHMSA-N 409.425 1.585 30 10 HDEE C#CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1664943018 BQBLZUUMKQSCTR-INIZCTEOSA-N 413.540 1.273 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@H]2CS(N)(=O)=O)n1 1670163870 BPNXRNOTJISDNF-LBPRGKRZSA-N 406.443 1.558 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)CC1 1671635296 UYONWGXZGIYCLA-UHFFFAOYSA-N 403.478 1.413 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCCN3CC(F)(F)F)CC2)c1C#N 1685076317 GVUNQPBVLABNBR-AWEZNQCLSA-N 413.448 1.459 30 10 HDEE C=CCN(C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@@H](C)COC 1687536233 WNYYPLVLXXQGDT-AWEZNQCLSA-N 408.503 1.802 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 1687765376 OPZLXUXPNYBJQP-KBPBESRZSA-N 417.470 1.119 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1689852670 IWXAOESVIHBGPB-KGLIPLIRSA-N 415.585 1.211 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1689976459 KNRQECQSWFBARF-IDYZSHNDSA-N 403.527 1.469 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989270 CPISCTDOKGEUQG-UONOGXRCSA-N 420.457 1.751 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690155048 DHYCUMNGXPVOGE-QGZVFWFLSA-N 406.600 1.805 30 10 HDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCC 1690174985 NOWHINOZDNPGNZ-HNNXBMFYSA-N 415.585 1.214 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)CC1 1690179164 PCRSVOZAAMZJAN-UHFFFAOYSA-N 420.608 1.769 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCS(=O)CC1 1690682540 ROTSBIAKBVSQSW-UHFFFAOYSA-N 410.503 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CC)C1 1690725157 HOGQQZQIFQGZQU-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1692672227 FDIAEUBRFUSKRM-NVXWUHKLSA-N 412.494 1.855 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCN1CCOC 1694941192 FCMAXZSSRSIOIX-MRXNPFEDSA-N 422.493 1.795 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1698489998 GQAVWYINPDCLRL-KRWDZBQOSA-N 404.540 1.182 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705496118 ZYAHCHBHXJBPTD-RYUDHWBXSA-N 410.450 1.414 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1705517174 QALUKDOLIFKVNL-SFHVURJKSA-N 423.583 1.142 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705534135 AEZZADVJHFTYMU-BBWFWOEESA-N 409.556 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCn1cc([C@H]2CCOC2)cn1 1705579371 KIQLESLBYIGIMT-IBGZPJMESA-N 401.474 1.814 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1705628922 SNYRDKKFOXYEDJ-QGZVFWFLSA-N 424.567 1.616 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(=O)OC)C1 1705662797 LSMVSPGEAIGXLX-MRXNPFEDSA-N 424.530 1.882 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705810762 HIBZDOYWQPUYJQ-HUUCEWRRSA-N 414.466 1.252 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1705825354 RGZKAZSNKQXWDP-MAUKXSAKSA-N 413.544 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(CO)CC1 1705901742 VJNKSDRZBGMSAG-UHFFFAOYSA-N 423.477 1.105 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1705924284 BROQLBJHZDWSLN-IPMKNSEASA-N 403.527 1.822 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1710066541 YKXDQQHVCBTZLZ-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1ccnn1 1712641065 ARSBZRIQTDWZLX-ZWOKBUDYSA-N 414.514 1.814 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)CCO1 1712883079 KIQZEWOHWQSYCZ-QAPCUYQASA-N 416.463 1.450 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1722306318 IITGWGPUSHSTGI-MRXNPFEDSA-N 402.499 1.641 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722523546 YQMSEBQTOMIZQI-IRXDYDNUSA-N 411.572 1.856 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1722529485 UFEQNGTVCOFCFK-HUUCEWRRSA-N 415.560 1.342 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1722532261 GWTIAJDIOPKPLF-QGZVFWFLSA-N 404.515 1.174 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1722652453 GMMFTJVHYWYLCE-BQFCYCMXSA-N 424.567 1.982 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC2(CC2)C1 1722683708 WOPJPTRTNLQFMF-UHFFFAOYSA-N 417.535 1.998 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722691612 SATIWHJPXBLKQL-GJZGRUSLSA-N 416.530 1.668 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722693668 WRIUDIDNXXEKFB-OAHLLOKOSA-N 416.913 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1C1CCC1 1722699790 YINWHGAAQUUNBT-JKSUJKDBSA-N 407.540 1.251 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1723887997 XBCQMQUVGJQSCV-ZDUSSCGKSA-N 400.464 1.722 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1724056556 XGAULQXHDFERCS-KRWDZBQOSA-N 421.461 1.790 30 10 HDEE Cc1nccn1CCCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1725660051 NIMNDEXXFQQPOW-LJQANCHMSA-N 406.494 1.978 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1727000671 FBYXDQVZPPWBFO-QGZVFWFLSA-N 413.526 1.784 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1727925083 CHMCBXSSXSRFGV-WBVHZDCISA-N 415.542 1.912 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CCC2)c1 1730232206 FJMYANXFJDJDTA-JWRCQZCYSA-N 415.519 1.984 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1730459432 KFHGQDHXLQTWBB-INIZCTEOSA-N 424.505 1.822 30 10 HDEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1730963000 VFTKJMQCDVEKAG-GOSISDBHSA-N 411.510 1.757 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740571491 QMBYHHGFJZZHIM-QGZVFWFLSA-N 404.540 1.886 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1740625433 NQVNZQZQHOJYRM-GOSISDBHSA-N 417.535 1.053 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(C)CN(C)C1=O 1740637235 VILLJSCLDVISFL-HSZRJFAPSA-N 413.485 1.682 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1740640430 MYYNRFBZDIIAOS-OAHLLOKOSA-N 403.533 1.375 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H]1C 1740665953 XFPJMAIMFYOUQI-QGZVFWFLSA-N 405.510 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CN(CC(C)C)CCO1 1740684172 XPJSGCSMGMKQSG-IBGZPJMESA-N 414.554 1.726 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1740686140 OVXSVXPPSULAFP-HNNXBMFYSA-N 423.564 1.274 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCc2ccc(OC)c(OC)c2OC)CC1 1740696842 ICLQPQAHRDPWIQ-UHFFFAOYSA-N 413.522 1.864 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCC)CC1 1740701149 WFJOLVMTHKSKPH-UHFFFAOYSA-N 400.527 1.670 30 10 HDEE C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740821144 BADDVSZONAKEOC-FQEVSTJZSA-N 418.519 1.660 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C)C1=O 1740936445 UYYRFOLPFSTAKY-OAQYLSRUSA-N 409.494 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCSC[C@H]1C 1740955466 VHBANBDURTUOSN-CQSZACIVSA-N 415.519 1.960 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(COC)CCOCC2)C1 1740975973 FULMXAZNYNIOPD-QGZVFWFLSA-N 414.510 1.960 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1741394410 CWLZCIQMHDGVBF-MEUCICPISA-N 424.509 1.687 30 10 HDEE CCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)o1 1744447274 BFZGXYRRNJNNJZ-YPMHNXCESA-N 409.516 1.534 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748817349 JMOAALWZWZDPTC-LSDHHAIUSA-N 421.548 1.304 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cc(OC)c(OC)c(OC)c1 1748846903 MCRGWOTWGMNLKV-QGZVFWFLSA-N 410.474 1.929 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1749226041 MTXORHNXCBONBY-IAGOWNOFSA-N 407.515 1.452 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C#N 1749727074 MJCHVYYTIAAPIL-CQSZACIVSA-N 417.491 1.870 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749756385 XVMKZOMJEAWJKW-CQSZACIVSA-N 402.524 1.358 30 10 HDEE C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1750347967 OZQRYUWQUYNKTC-ZIAGYGMSSA-N 401.471 1.915 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1751283617 QVBODALZBAENNU-JOCHJYFZSA-N 422.489 1.777 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1CCCO 1760220764 CIFHUOHWSIFIAY-OAQYLSRUSA-N 406.534 1.574 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760401081 ZMYOOMICXXSXBK-FQEVSTJZSA-N 417.535 1.601 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760853811 ZMGVZUUUUSRKTJ-IAGOWNOFSA-N 424.461 1.703 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCOC(C)C)CC2)c1C#N 1762402829 HOYYYHXIDQVEMU-UHFFFAOYSA-N 412.542 1.896 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1764144720 LHUOFMBUDDCMHV-CSODHUTKSA-N 418.542 1.866 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767043104 SDWYPMURDLOVRS-QORHXFOUSA-N 414.388 1.307 30 10 HDEE CCOCc1nnc(N2CCC[C@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767885151 LQJROINVWJPAFX-MJWGMMHASA-N 402.499 1.967 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1769498476 UYIMKKKINDYRCC-WMLDXEAASA-N 423.477 1.372 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)CC1 1770308547 FZXISCJJHQZGQX-UHFFFAOYSA-N 415.519 1.603 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)c1 1848905394 NBHISXQLZDKBAL-GOSISDBHSA-N 412.490 1.598 30 10 HDEE O=C(NCC#CCN1CCCCCC1)C1CN(C(=O)COc2ccccc2F)C1 1850334436 JQDOSDGHYLZBMY-UHFFFAOYSA-N 401.482 1.659 30 10 HDEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(C)no3)ccn2)cn1)[C@@H]1CCN(C)C1=O 1850380247 UKHOWKYTCGRKLZ-MRXNPFEDSA-N 407.434 1.485 30 10 HDEE Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1C#N 1851320579 JWLSQQVEYVFTDU-GFCCVEGCSA-N 404.414 1.914 30 10 HDEE N#Cc1c[nH]c(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)c1 1852312673 KJOZIKZULVWMNR-UHFFFAOYSA-N 407.409 1.641 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(-n4cccn4)ccn3)CC2)nc1 1852638053 QYQUZWNJQLPXGQ-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE COc1cccc(O[C@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1 1852692553 FAQQREYSUBKBQY-OAHLLOKOSA-N 420.473 1.991 30 10 HDEE CC[C@@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 1852724457 IZWNWMQCUZHFKM-FUHWJXTLSA-N 401.467 1.662 30 10 HDEE COc1cccc(N2C[C@H](CNC(=O)Cc3cc4c(cc3C#N)OCO4)OC2=O)c1 1852757522 DZBGRWLDSJHGCD-KRWDZBQOSA-N 409.398 1.980 30 10 HDEE Cn1cnnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1853988675 VGLANAVGQQSLNA-OAHLLOKOSA-N 407.478 1.340 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O 1854023475 UCQNMFIMSXYKQW-CQSZACIVSA-N 407.467 1.353 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cn2ccnc2C2CC2)C1=O)[C@@H]1CCN(C)C1=O 1854189328 HELKMDFESIEYBY-ZWKOTPCHSA-N 413.522 1.387 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cncc(Cl)c2)C1=O 1854224927 PTARCDUHIGPWQU-SJORKVTESA-N 404.898 1.975 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)[C@@H]4CCCO4)C3=O)CC2)c1 1854419990 VVJPLKIHASPVGI-OALUTQOASA-N 412.490 1.741 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854438585 XHAUUZVLDRPEFS-UHFFFAOYSA-N 424.910 1.884 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCC(Oc4ncccn4)CC3)C2=O)cc1C#N 1854590158 RUEZTHGSONNIMT-LJQANCHMSA-N 405.458 1.941 30 10 HDEE CCCCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)C1 1855022945 MBRCLCOOEFPZTN-GOSISDBHSA-N 418.519 1.047 30 10 HDEE COc1ccccc1-c1noc(C2CN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)C2)n1 1855699436 CSYNSIGWRARIOT-AWEZNQCLSA-N 409.446 1.823 30 10 HDEE N#CCCN1CC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)c2ccccc21 1856130742 WWZYEKWFSATAEN-UHFFFAOYSA-N 402.414 1.475 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1856456595 IMNLEPDICNBAIL-NVXWUHKLSA-N 411.849 1.896 30 10 HDEE N#Cc1ccc(OCCN2CC[C@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)cc1 1856701047 VKSWAKDWBLPUEK-INIZCTEOSA-N 424.423 1.635 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 1856934524 WIWYCTIKDGDPRN-UHFFFAOYSA-N 417.409 1.898 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1857188060 DTZJDHQSSBDSOC-LJQANCHMSA-N 417.531 1.517 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)nn1 1857307947 XRGVNDMAKKVOFL-SFHVURJKSA-N 405.458 1.784 30 10 HDEE CN(C(=O)N1CCOCC1)c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1 1858272180 LSKOYNJDQFFYLQ-UHFFFAOYSA-N 401.448 1.642 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858325023 VPFWMCNTTSMHED-SFHVURJKSA-N 419.528 1.749 30 10 HDEE N#Cc1cccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)c1 1858415471 FKAOOUFEOYDPMS-AWEZNQCLSA-N 410.455 1.702 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870107250 ZYXIOBSRGMPZQX-LBPRGKRZSA-N 418.388 1.960 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(N(C)C)cc2)cc1=O 1871004393 CGARCFPJWORJHE-UHFFFAOYSA-N 410.518 1.871 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)s3)C2)C1 1891681399 NVKLYHGXOCBJFY-GFCCVEGCSA-N 402.925 1.663 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1960393364 DNJJFKVVYRPRHJ-CAOSSQGBSA-N 410.515 1.848 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 1984874512 PAIIVKFSKGLSAZ-ROUUACIJSA-N 417.506 1.995 30 10 HDEE C#CCN(C(=O)[C@@H](CSCC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123549340 BWDVQWMKCMUOQY-ZIAGYGMSSA-N 404.554 1.282 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cc(C#CCO)cs1 2177660123 JOEUVGIKBVPYJF-OAHLLOKOSA-N 406.529 1.888 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC1(C(=O)O)CC(C(F)F)C1)C(F)(F)F 2180574955 PCJBSJMFCKOFPQ-UGSUGNJUSA-N 400.222 1.601 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COCC[C@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2195308009 LWEXJHNPDPWFFH-IUUKEHGRSA-N 402.513 1.538 30 10 HDEE C#CCN(C(=O)[C@@H](F)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2199073288 HNMUDGDPOSEQNF-BARDWOONSA-N 402.488 1.277 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2243675765 AHNBMPOOPBWEDS-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247916812 FFSTZWOSXYDMIW-UHFFFAOYSA-N 420.319 1.885 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258163155 ZPRQBNDSUFLUTI-HOCLYGCPSA-N 411.480 1.266 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258182308 ZQCXARHEOBHBGV-NVXWUHKLSA-N 408.476 1.431 30 10 HDEE N#Cc1cc(F)cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270495124 XMOPRBZZWDUZSZ-INIZCTEOSA-N 421.406 1.819 30 10 HDEE CCc1nc(C(=O)NCC[C@@H](C)[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282030833 KZHFYCKXRWUCHP-RPHGYIDUSA-N 400.375 1.892 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NCC[C@H]2CCCS2(=O)=O)OC1(C)C 2282140278 RXZDBWMSAPIWPV-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304438 KMGDRRZCIKQEBK-SECBINFHSA-N 422.765 1.504 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(OC(F)F)C1 2282310199 QLQUOROGFMBKES-UHFFFAOYSA-N 409.285 1.968 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282319852 ABGAKXLIGMXTOG-OLZOCXBDSA-N 400.375 1.904 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@](C)(O)C2)OC1(C)C 2282417574 CRTNXLITFAUYFR-ZBEGNZNMSA-N 402.347 1.165 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCCNC3)ccc2Cl)OC1(C)C 2282488720 DLAGLMZRBJOSNK-GFCCVEGCSA-N 400.737 1.670 30 10 HDEE CON(C1CCOCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494538 ZABVUKYAJHRLBR-UHFFFAOYSA-N 403.331 1.778 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3nncs3)c(Cl)c2)OC1(C)C 2282502882 QWKJKSQLQMOPOX-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC1(C)[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282507817 MNOJQUQZDZFAJV-CQSZACIVSA-N 401.721 1.783 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282533891 PQFQLBDHVZTURM-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@H](CO)C3)c2Cl)OC1(C)C 2282641996 HPEYBZMLSWSKQR-JQWIXIFHSA-N 401.721 1.516 30 10 HDEE CON1CC[C@H](NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282837528 VIVQKRADNMVTSH-LBPRGKRZSA-N 402.347 1.270 30 10 HDEE C[C@@H](O)C(C)(C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846927 QXDFXNXFRUVRHB-LLVKDONJSA-N 404.363 1.269 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](CN)C1 2282847775 DVRLEJFFEZUSFD-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877173 NWFSVLMQPHBKQS-JSGCOSHPSA-N 400.375 1.760 30 10 HDEE COC[C@](C)(CO)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882075 GZTURNBGMQUDGO-INIZCTEOSA-N 405.347 1.065 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(C)COCCO2)OC1(C)C 2282884465 OJABARPQPOOHRP-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)O)s2)OC1(C)C 2284403032 QLZMMUGIBWBXTF-MRVPVSSYSA-N 411.257 1.434 30 10 HDEE C[C@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284406835 DCBFPOGBCOJAGO-KOLCDFICSA-N 419.355 1.584 30 10 HDEE Cn1nc(Br)c(Br)c1CNS(=O)(=O)CC1(C#N)CC1 2339052427 JXBKOZLHWOYCTE-UHFFFAOYSA-N 412.107 1.668 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CSCCN1C(=O)OC(C)(C)C 2342042348 FGEOLQSFYBDKJE-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](C[C@@H]1CCCO1)NC(=O)OC(C)(C)C 2365201553 ACEQWZOSMUPYCW-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2365201703 KGRNTHTWOIOGMV-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2367802149 YQPGPUPTZMYOLH-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367829984 FGCKCNJDCFUQON-OWCLPIDISA-N 402.557 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831183 OWYSMMKFXXHITD-DAYGRLMNSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831730 UDCZNXZGUGHEMD-MAUKXSAKSA-N 402.557 1.730 30 10 HDEE N#CCSc1ccccc1NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 54887170 ORGNAGQKHONEMM-INIZCTEOSA-N 402.520 1.812 30 10 HDEE C=C(C)COc1ccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)cc1 66062113 LLPBXYAIGRLMJD-IBGZPJMESA-N 417.506 1.970 30 10 HDEE C#CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 111045960 XIMOZWAQGORSTL-GFCCVEGCSA-N 400.884 1.418 30 10 HDEE Cc1ncc(S(=O)(=O)N=c2cc[nH]cc2I)cc1C#N 427763522 SQEOPMKZDZNUEI-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 437646396 OPIIOKCLEJBRGB-QGZVFWFLSA-N 402.538 1.614 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461753832 XXLIBDYJAFFWGV-UHFFFAOYSA-N 408.443 1.856 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 465469573 KWBVRNLAYPXSFG-MAUKXSAKSA-N 424.530 1.681 30 10 HDEE N#C[C@@H]1CN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CCN1Cc1ccccc1 474292092 ICQYOFBTFWMKDX-QGZVFWFLSA-N 408.462 1.902 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3cc(-c4ccccc4)nn3)C2=O)cc1 485990962 PQVPRFIQUJWXDI-IBGZPJMESA-N 400.442 1.734 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCCN(c2ccccc2C#N)CC1 486539968 YMCOENQQWOQLBW-UHFFFAOYSA-N 404.517 1.928 30 10 HDEE COCc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 487572188 KZCBAJCIJBKTHG-UHFFFAOYSA-N 413.499 1.780 30 10 HDEE CN(C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1Cc2ccccc2C1 492509266 GJYQHDBJYRUSAA-UHFFFAOYSA-N 400.442 1.762 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3c(O)nc4ccccc4c3=O)CC2)c(F)c1 504915320 SHWRIBNYKZSFAJ-UHFFFAOYSA-N 407.405 1.462 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507298147 DIGRWOKQWGWWHG-FQEVSTJZSA-N 409.483 1.166 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CSc3ccccc3OC)n2C)CC1 508594957 WNCZYUJSWZADBN-UHFFFAOYSA-N 416.551 1.540 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2CCOC[C@@H]2C1 508854459 CQSXVMNPCDFYAU-SFHVURJKSA-N 410.526 1.159 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 509002065 YSZUOHIJGQDMAI-TZMCWYRMSA-N 421.527 1.719 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 511125822 XGRLXZQVIWZHBK-ZDUSSCGKSA-N 410.565 1.793 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)c(F)c1 517997942 HPWNNQBJUBYHFM-AWEZNQCLSA-N 415.512 1.321 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccccc1C#N 520969603 KILIAZKAIQKNLA-UHFFFAOYSA-N 418.453 1.467 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccon1 531938764 OCYSDISFRBAUPZ-UHFFFAOYSA-N 406.423 1.283 30 10 HDEE N#Cc1ccc2ncc(CNc3ccc(NC(=O)CCN4C(=O)CNC4=O)cc3)n2c1 539935390 ITBMKFNROZXGFE-UHFFFAOYSA-N 417.429 1.698 30 10 HDEE CN1CC(=O)N(c2cccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)C1=O 545505382 HMGCBPPAHBYQSV-UHFFFAOYSA-N 419.445 1.706 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)C1 555266176 WVCHUXUGEVREFL-CRAIPNDOSA-N 413.544 1.192 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)O)CC2)cc1Br 562416841 JSFGIPUJVXVCFJ-UHFFFAOYSA-N 402.270 1.148 30 10 HDEE N#Cc1cc2c(nc1NC1CCC(n3nc4c(cc3=O)COCC4)CC1)CCOC2 585619134 KFFRCAPKYCDQLQ-UHFFFAOYSA-N 407.474 2.251 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)CC1 590543345 GIVZERDKFXXISV-UHFFFAOYSA-N 404.478 1.910 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 604031048 NAYLBKBVBOAOKR-CQSZACIVSA-N 420.514 1.964 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)s2)cc1 609169130 RRCXTKRJOZWSCJ-GFCCVEGCSA-N 422.513 1.421 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(C#N)cc2F)c1 609229794 SNUUVNWPIDHWDT-UHFFFAOYSA-N 420.466 1.206 30 10 HDEE CC(=NO)c1csc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)n1 704000833 GMPSCFOOZJNQBS-UHFFFAOYSA-N 408.461 1.769 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1OCCOC)[C@H]1CCS(=O)(=O)C1 729333332 WGCGCMROCLUJCU-KRWDZBQOSA-N 417.487 1.160 30 10 HDEE CCCS(=O)(=O)Nc1ccccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732153084 FJEYAADBICJQMF-FBMGVBCBSA-N 406.464 1.095 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)NC3CCCCC3)C2=O)cc1 733761895 YOWJABSZGMMBMQ-KRWDZBQOSA-N 412.446 1.755 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(OC)c1 747249480 BVTKYZTUJDDMBH-NSHDSACASA-N 422.322 1.269 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 748611319 JWHFBZVSQQJZDU-NXNVCVFFSA-N 404.394 1.795 30 10 HDEE COCCCOC1CN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 754355101 NJTVPUMDAOCORP-KRWDZBQOSA-N 423.535 1.404 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 755367489 RNEKLQBHSJMPOD-SZMVWBNQSA-N 419.570 1.411 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCN1C1CC1 757167463 YDRKZGCSGHPWPU-SFHVURJKSA-N 416.485 1.739 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)C1 758481505 UBKVQZVIMBBXLA-UAGQMJEPSA-N 413.478 1.850 30 10 HDEE Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760777965 OTRNFVNWMBERDD-CPNJWEJPSA-N 418.436 1.734 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cnn(CCC(F)(F)F)c1 766987044 PMPKYLBKMDRGKU-UHFFFAOYSA-N 402.354 1.834 30 10 HDEE CC(C)N(C[C@H](O)COc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 770566199 BRUHHEBGBJBDDX-QBNCKDSPSA-N 416.478 1.373 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCCC2)C1=O 771582455 LWNUKRLSVMTXRS-SZNDQCEHSA-N 412.446 1.102 30 10 HDEE CC(C)CN(C(=O)COC(=O)/C=C\c1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 775075667 QDLYIXASRPJVIK-ZEVQVBBLSA-N 404.488 1.786 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)o1 777173205 DIHNMRNNQOCGLB-UHFFFAOYSA-N 419.441 1.915 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)n1 790104620 GSLKDWCXQMABPU-JOCHJYFZSA-N 410.518 1.689 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1 790839289 AKQWNHAWVMUYPS-UHFFFAOYSA-N 402.513 1.815 30 10 HDEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 795971283 WKNOKSVTGUMTAV-SECBINFHSA-N 406.320 1.671 30 10 HDEE C[C@H](C(=O)OCC(=O)NCCc1ccc(OC(F)(F)F)cc1)n1cnc(C#N)n1 798742853 VMWIZECYGLRWES-LLVKDONJSA-N 411.340 1.511 30 10 HDEE C[C@@H](CC(=O)Nc1ccc(N2CCC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 799039450 HADHDDSLLJEUDQ-ZDUSSCGKSA-N 412.471 1.879 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1S[C@H](C)C(N)=O 802086051 QFOSBIGWHYOPRW-GFCCVEGCSA-N 403.485 1.951 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(C)c(C)c2)=NO1)[C@H]1CCS(=O)(=O)C1 802381782 PUPYKEZYNARUKI-ROUUACIJSA-N 403.504 1.628 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802578430 RCRHUQDNUKZIDY-LAUBAEHRSA-N 414.510 1.732 30 10 HDEE CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 803786072 BJWYNMPNQBKEAB-CBHXRGPZSA-N 419.503 1.614 30 10 HDEE C#CCN1CCC(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 805230896 CYOHMQPZPIPBFX-INIZCTEOSA-N 415.490 1.278 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cc1C#N 806215198 ZEFDYOAQHSPIFD-INIZCTEOSA-N 410.405 1.244 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1 811075642 LBDNBOLGQYNXBD-HZPDHXFCSA-N 401.506 1.664 30 10 HDEE CC(C)Oc1ccc(NC(=S)NN=Cc2nccn2S(=O)(=O)N(C)C)cc1 814830616 OXBCNSAUSZMGOI-UHFFFAOYSA-N 410.525 1.645 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 854500814 UWXJWTBVVOGQNJ-KBPBESRZSA-N 400.472 1.849 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1-c1ccccc1C#N 917798730 DKRGDJWEVAEHRP-UHFFFAOYSA-N 420.457 1.983 30 10 HDEE C=C1C(=O)O[C@@H]2CC(C)=CCCC(COC(C)=O)=C[C@H](OC(=O)[C@@](C)(O)CO)[C@H]12 1084659775 SQQDHMIYFXZFNM-IIMDRIAPSA-N 408.447 1.359 30 10 HDEE N#C[C@]12CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)C[C@H]1CS(=O)(=O)C2 1134428835 CMBCMGIMGWROBD-IFXJQAMLSA-N 418.450 1.595 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]nc2I)n1 1139833984 UFOFBQCDTJVDHK-UHFFFAOYSA-N 413.219 1.133 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)COc1cccc(Br)c1C#N)CC2 1142797612 DJFQPDWAVCEBBH-UHFFFAOYSA-N 407.268 1.716 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccccc1 1143126374 BFPQDBBVTUWFHL-GOSISDBHSA-N 400.456 1.632 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1146352970 HHOJWNZWHSQCSQ-RTWAWAEBSA-N 422.485 1.510 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2cc(Cl)nnc2C1 1163188575 FWYKTBKNTHNROI-NSHDSACASA-N 405.867 1.253 30 10 HDEE O=C1NCCCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]1Cc1ccccc1 1170661742 QGYDGLOZFMZHFS-NRFANRHFSA-N 401.466 1.719 30 10 HDEE COC(=O)CCN(CC#N)[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 1175486661 XNQVVGCACMDFAE-OAHLLOKOSA-N 412.446 1.925 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1188625290 UTLUYFZEUUZPHN-SJORKVTESA-N 409.508 1.303 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCCC2)[C@@H](O)C1 1193903964 HPHWELHBESOJRU-CABCVRRESA-N 401.529 1.750 30 10 HDEE C[C@H](NC(=O)CNC(=O)CN(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1 1195877074 QPNMPBVZVZBUNM-YWZLYKJASA-N 412.465 1.656 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)OC)C3)CC1 1206609780 WHBJIMAJLDWXLY-ZDUSSCGKSA-N 404.492 1.414 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c3ncccc23)CC1 1215032019 HPEXAXDQSSRCLZ-UHFFFAOYSA-N 407.883 1.505 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 1265187350 PVTRERXSOLZJMQ-ROUUACIJSA-N 422.503 1.291 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(OC)c1 1286271637 UOOKLMNTTGIAKB-HNNXBMFYSA-N 412.494 1.313 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286299810 IKYGUYIQOXBKOQ-GDBMZVCRSA-N 416.551 1.587 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1286349759 NNMHTPOYMHNDIN-QGZVFWFLSA-N 421.523 1.562 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccs1 1286431251 NLGVUGOPPFIBKS-MRXNPFEDSA-N 402.545 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CCCC 1286432175 ZVKNSSRCBJMUBP-GOSISDBHSA-N 405.568 1.375 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1286438357 YBSZTFOZIGTAEO-VQIMIIECSA-N 410.540 1.357 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286509172 WCHADFZIDRDFGK-IRXDYDNUSA-N 403.552 1.772 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1286509526 RZYDBAQGAHHCKX-UHFFFAOYSA-N 413.613 1.751 30 10 HDEE C#CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286513523 WRDBTQINUQRALE-FQEVSTJZSA-N 421.567 1.387 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1286736416 BPKNIDSUPJHAHD-UHFFFAOYSA-N 416.570 1.791 30 10 HDEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)N1CCCCC1 1290635734 AAJVUFIYQUWYKF-UHFFFAOYSA-N 404.536 1.656 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1297892016 KHHDFZFAOYBQHD-HZPDHXFCSA-N 419.478 1.822 30 10 HDEE CC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1299832960 ZIYQEZWNKPUGHI-AWEZNQCLSA-N 409.508 1.742 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1300274706 YQFWUQKKZXYLPG-ARFHVFGLSA-N 417.535 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1300308888 QZGKYNIWEOZWLZ-KBPBESRZSA-N 406.483 1.834 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1300391739 SMEWNFORCSQNHK-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1300431776 KVGAHZISNTXBLV-OAQYLSRUSA-N 403.527 1.648 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300459334 BAPABQKGYWCMNV-FQEVSTJZSA-N 405.506 1.363 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300485414 WABISHWQNQIVHU-IRXDYDNUSA-N 419.551 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCOC[C@@H]1C 1300547634 OYIZSERQHKZLCR-SFHVURJKSA-N 411.481 1.790 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1300601934 MDFLOEKRHICAJZ-INIZCTEOSA-N 410.588 1.470 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@H]1C 1300733443 JWMLCPLIRJYJNE-BFHYXJOUSA-N 417.626 1.585 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300918940 NDGUDCNMLWFVGB-SFHVURJKSA-N 418.567 1.948 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300992080 TUZGSUNTPACWMY-GJZGRUSLSA-N 417.470 1.091 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301508388 JLWCDFLLCMHPSC-KRWDZBQOSA-N 414.554 1.808 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301557857 RTGQRAPSKXGXRX-IRXDYDNUSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1301577141 FOMMVMSNTOYZIC-CQSZACIVSA-N 421.498 1.352 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1301985732 BQMOHVNFWWHRQU-LSDHHAIUSA-N 417.535 1.990 30 10 HDEE COCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1302235970 ZOGQKCAGEYGJGG-PXNSSMCTSA-N 417.441 1.896 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1302403761 OZRPNYRHUXBURV-UHFFFAOYSA-N 424.505 1.558 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1303026112 KDJNYMHXXQQJAA-UHFFFAOYSA-N 404.410 1.361 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 1303535596 UVUMZDRIJGQIAO-UHFFFAOYSA-N 409.689 1.513 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC[C@@H](O)C1 1306193306 FTFPRCBIQPGFRV-DLBZAZTESA-N 412.542 1.632 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](c1nccn1C)C(F)(F)F 1313434395 PVEGQLZADGMXPL-WCQYABFASA-N 408.388 1.605 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 1347360765 HPCBKZKUOQSEFG-CYBMUJFWSA-N 403.298 1.531 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1358872321 SJTRVFHSVAPIRT-XNIRIUNOSA-N 411.572 1.942 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962911 ZAPBCODSSVMSRX-RLFYNMQTSA-N 406.552 1.986 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1358963858 OZMIQKQXDOSLOW-RDJZCZTQSA-N 420.560 1.827 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1359010782 ZBZHNJSUVIICKU-CVEARBPZSA-N 402.524 1.414 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H]2COCCO2)CC1 1359038584 BFJYETUTRNHOFC-HXUWFJFHSA-N 411.506 1.336 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1359067831 DHLVKPIXNQODOC-HXUWFJFHSA-N 412.519 1.748 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359342537 ZWPIAXPVKPDTID-IRXDYDNUSA-N 409.556 1.780 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1359468145 GFAPZAYBYFTFMU-CQSZACIVSA-N 403.450 1.624 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1435069502 PFXQQLNOWRHCAF-GFCCVEGCSA-N 411.423 1.795 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2ccc(C#N)c(Cl)n2)C1=O 1435439210 CJULFJVDOUBUAV-LBPRGKRZSA-N 404.835 1.990 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)cc(Br)c1F 1443533985 FCHDXEZCLXURNX-SQFISAMPSA-N 400.179 1.984 30 10 HDEE COc1ccccc1[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CC#N)CC1 1445689006 LSIBUXCIJHEBLW-SFHVURJKSA-N 416.478 1.845 30 10 HDEE C[C@H](CC(=O)N1CC[S@@](=O)C(C)(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1449599550 DCNGMVURKGARRL-ZBSNKRKSSA-N 411.549 1.263 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)cn1 1455692986 LNGSDDNXDIGLCY-UHFFFAOYSA-N 414.487 1.828 30 10 HDEE Cc1ccc(C(=O)N2CCS[C@H](C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1455843198 XVUPYDKQEIIBSY-ZDUSSCGKSA-N 407.439 1.917 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(I)cc1-n1cnnn1 1460071235 CTVOFJJQMZETON-YPMHNXCESA-N 411.203 1.340 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 1464893569 LVFCALVPFYBGDD-UHFFFAOYSA-N 405.458 1.926 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(C(=O)NCCCN2CCCCC2)CC1 1465517538 CESPWCLUOXODHF-FQEVSTJZSA-N 406.571 1.688 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1468880725 DAYWRDOMJDJPBK-INIZCTEOSA-N 400.456 1.970 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1 1470331851 PYSFWXZOBMFGQI-VXPUYCOJSA-N 408.418 1.439 30 10 HDEE N#Cc1c(CCCNC(=O)NCC[C@@H]2CNC(=O)C2)nn(-c2ccc(F)cc2)c1N 1471268320 PTZSMDJISDFFRD-ZDUSSCGKSA-N 413.457 1.223 30 10 HDEE COc1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc(NS(C)(=O)=O)c1OC 1471355965 BBRKCVIHMNZUCW-INIZCTEOSA-N 415.471 1.844 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1473630299 QXGVAFVNKROFKJ-UHFFFAOYSA-N 420.535 1.590 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)cc1 1477744813 IUARLJQRVZVPCU-QFIPXVFZSA-N 406.442 1.753 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1494105838 DUSNEASOICEFMW-IZPCHGGPSA-N 412.519 1.395 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC(=O)N1C 1494236967 VUDHYVFTJFYSKX-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE CCc1nc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)cs1 1498488214 PWVUULKOTAVZPT-QRTARXTBSA-N 418.523 1.798 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1503374237 LSMKNEKQUUUZNE-GOSISDBHSA-N 423.521 1.459 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CCC(C#N)CC1 1505014705 IZJIJIKIAIPDDR-SFHVURJKSA-N 412.494 1.990 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1507529474 ZGNQQVBQNRVXHQ-CQSZACIVSA-N 419.507 1.460 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1507532827 JCMZQMMZFXHOFL-NSHDSACASA-N 415.404 1.433 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCCS(C)(=O)=O 1507544245 ZGAMUSCRDKMKJR-MRXNPFEDSA-N 406.556 1.813 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507629925 QUOGGVYBZIJERS-MRXNPFEDSA-N 417.535 1.782 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1507688673 BMRVJTIAQHOCFM-AWEZNQCLSA-N 420.315 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1CCCO[C@@H](C)C1 1507709875 CWRBCGZBKITQQT-SFHVURJKSA-N 413.526 1.322 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCCCCC2)CC1 1507724890 LKSXSBIUETWRAV-UHFFFAOYSA-N 409.538 1.821 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507751117 JWEYXDPLZZQONP-QGZVFWFLSA-N 416.551 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1507809726 XHFPLQISPZCHJI-SCTDSRPQSA-N 419.526 1.406 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1507952398 SJEVVDNMWDFCSS-UHFFFAOYSA-N 420.521 1.960 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)C2)cc1 1508099978 AIVBOYOOWYVSQQ-UHFFFAOYSA-N 407.478 1.570 30 10 HDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1509531317 UQVUHBWGWRZNCR-KDURUIRLSA-N 412.494 1.630 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)s1 1511741132 DFFFRXFAIDXDOY-UHFFFAOYSA-N 408.491 1.498 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1518832679 IEURZWQFUHVZAT-INIZCTEOSA-N 422.445 1.999 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1536180326 QWYKGQHBAVRCQC-KLIPKNLMSA-N 406.460 1.645 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1536709695 XEKCMAHJLDYNEQ-HUUCEWRRSA-N 403.479 1.597 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1538577822 RWMHYWYBFCICQS-CABCVRRESA-N 417.528 1.236 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C1CC1 1539200776 OCXAGHCPXMGGRI-IYBDPMFKSA-N 416.526 1.644 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCNS(C)(=O)=O 1539300699 XADBZALPFHEHKM-IBGZPJMESA-N 413.547 1.832 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@H]1CCC(=O)N1 1539395805 IYFGXSJXHVUGAJ-HZPDHXFCSA-N 415.469 1.922 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(CC)C1 1539517279 LDZVWVONALUXDJ-QAPCUYQASA-N 412.581 1.552 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1539700024 KYWVYCGLNYBJHU-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE CCCNC(=O)c1ccccc1NC(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1540655152 BKETUEMJESOWEO-UHFFFAOYSA-N 401.423 1.472 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)NC)C1 1540893745 JMLFVWHHKMAIAX-QGZVFWFLSA-N 423.514 1.339 30 10 HDEE C[C@H]1CN(CCCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CCCO1 1541118522 BZXMAYJDZGKEBC-ROUUACIJSA-N 417.558 1.497 30 10 HDEE CN1CCC(N2CC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1543235068 RCDRNLRMWOUXAX-FUHWJXTLSA-N 407.559 1.858 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1545461630 YMTBEILILQPPBH-ZDUSSCGKSA-N 418.523 1.761 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1552900691 JOABBUSKEQSGOH-QZTJIDSGSA-N 413.503 1.785 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CCO1 1555388358 FLDWICZUDWRVQS-GOSISDBHSA-N 410.478 1.195 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)COCCO1 1555630393 ZJDNTAJCOADFAE-OXJNMPFZSA-N 407.515 1.938 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(OC)CCOC1 1555746123 BQXYQCWCBSQVGA-PZBISTMVSA-N 419.526 1.938 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1556750295 GGPWTSHXSXRCBR-HNNXBMFYSA-N 409.851 1.861 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 1559964627 ASXRFOYBCSLYGK-CQSZACIVSA-N 406.552 1.923 30 10 HDEE COc1ccc(C[C@@](C)(CO)NCC#CCN2C(=O)c3ccccc3C2=O)cc1OC 1560185291 UHFXZORVLBCWMX-DEOSSOPVSA-N 422.481 1.887 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OCC 1561828496 PPGJFEGKRHRLRQ-LBPRGKRZSA-N 423.846 1.974 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(S(C)(=O)=O)c1 1564753806 FBEOYQWLTKFHKL-AWEZNQCLSA-N 414.491 1.172 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1564772115 JERCVCQLHJLCHH-RTWAWAEBSA-N 414.550 2.000 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1565316657 XQTSKZNGAULNDW-GOSISDBHSA-N 410.559 1.783 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)c(F)c1 1568752710 SOHIRZXSNLCSCS-UHFFFAOYSA-N 414.441 1.650 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 1570419440 CJEGUODJQFZSTH-LEWJYISDSA-N 410.518 1.765 30 10 HDEE CCC[C@H](C)[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1583571560 JQMFUMZEHIHDNY-HNAYVOBHSA-N 407.536 1.872 30 10 HDEE C[C@H](CC(=O)N[C@]1(CO)CCCC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1584863462 RYTHVGIZHHPPAM-JLTOFOAXSA-N 407.536 1.951 30 10 HDEE CC(=O)Nc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(C(F)(F)F)c1 1585660807 WHKNBJYRTGPSRR-XJKSGUPXSA-N 415.393 1.674 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)OC(C)(C)C 1587635313 HUYXZUGRJMRYPD-OAHLLOKOSA-N 406.483 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1587673819 SIEQVYODOHMREY-HNNXBMFYSA-N 423.477 1.477 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@@H]1C 1588266754 VCPKKUPWQBIOLK-YESZJQIVSA-N 411.572 1.943 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1588314725 OSBKRBGEDKBTIB-UHFFFAOYSA-N 412.494 1.724 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC 1588558923 BPYHKAXEZBRJQE-UHFFFAOYSA-N 412.494 1.442 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCCCC2)CC1 1588805825 CAPKUFYBVOFWBR-GOSISDBHSA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2C)CC1 1588811446 JIAOSXGEPBBVGT-LJQANCHMSA-N 413.547 1.292 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1589568848 MXDPLLJYVLHWKG-ZOBUZTSGSA-N 400.545 1.665 30 10 HDEE CC1(C(=O)N2CC3(C[C@H](O)CNC3=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1595699432 NMCGKYXIDGGLQX-INIZCTEOSA-N 416.909 1.528 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595737477 BNAAZHXFFWUGGR-ZWKOTPCHSA-N 417.535 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCCC3=O)CC2)nnc1C(C)(C)C 1595831804 WONUFKAJSUBQCJ-UHFFFAOYSA-N 423.583 1.768 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1595866471 MDWBHNJCSFXPOD-UHFFFAOYSA-N 417.583 1.461 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)[C@@H]1CCCc2ccccc21 1597627729 QEIGSHOPTKDWHR-LJQANCHMSA-N 414.531 1.936 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1611740693 KMSKGNMRPOUMLX-YSVLISHTSA-N 414.441 1.565 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)s1 1612518644 JGDUMAPNGXFMOY-LSDHHAIUSA-N 403.512 1.694 30 10 HDEE C=CCn1c(SC[C@@]2(C)NC(=O)NC2=O)nnc1[C@H]1COc2ccccc2O1 1613299582 XDXYREPDIYVTDE-FZKQIMNGSA-N 401.448 1.667 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CC1 1615889014 QNPUHMPJRUACBP-QZTJIDSGSA-N 416.574 1.243 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCOCC1 1619390740 FZYUBVOAEWOYRV-IBGZPJMESA-N 401.442 1.937 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1620042975 PSGKIXQXLMWORQ-MRXNPFEDSA-N 416.482 1.561 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2nccn2C(F)F)cc1 1620350094 BVUZSKBMLSJHHQ-UHFFFAOYSA-N 412.404 1.783 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1622996599 FOKUZSJRFCLRBW-SFHVURJKSA-N 400.479 1.949 30 10 HDEE CN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1623354727 AEWONKFUAQHKCS-MRXNPFEDSA-N 403.914 1.318 30 10 HDEE CC[C@H](CO)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1623377048 JFFOHMUIDRYUGT-YHHIVYBXSA-N 420.554 1.688 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@H]32)CC1 1623499261 VTCUWMFQOCGNAG-BHIYHBOVSA-N 416.319 1.228 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)CC1 1628146971 UHRAUCLBONJCSG-FQEVSTJZSA-N 414.550 1.429 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1629537381 YBPWIINXMLITSD-LJQANCHMSA-N 423.604 1.563 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1 1629727691 UMUAZFURJCAJPG-SJLPKXTDSA-N 401.488 1.867 30 10 HDEE NC(=O)c1ccc(N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)nc1 1630843340 LLZZZKMNNVWQLT-UHFFFAOYSA-N 402.376 1.900 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 1631331020 PROFYJIMGGWODN-WMZHIEFXSA-N 417.469 1.964 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H]3c3ncccn3)C2=O)cc1 1633395300 BYHBXSJTETXIGQ-SJORKVTESA-N 404.430 1.917 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)C1=O 1635209836 PBWGLCBCZNZYMM-JLTOFOAXSA-N 411.474 1.207 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccncc1OC[C@@H]1CCOC1 1635894801 RTOLICYCKRJZQG-MRXNPFEDSA-N 403.479 1.983 30 10 HDEE CCn1c(CCC(=O)Nc2n[nH]cc2C#N)nc2cc(S(=O)(=O)N(C)C)ccc21 1639697591 DIWUZAXOXJMUKJ-UHFFFAOYSA-N 415.479 1.473 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1c1cccc(C)c1 1640636886 OORWPSGBNPMFOM-HKUYNNGSSA-N 421.457 1.122 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccnc(N(C)C)c3C2)cc1 1640693875 LOFTTWKQFYWCKV-UHFFFAOYSA-N 400.504 1.810 30 10 HDEE CON(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)C(=O)OC(C)(C)C 1643867006 QHJJEJDQNGCFTF-STQMWFEESA-N 411.480 1.345 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1644428186 AKSLQXGLUCQFQS-IAGOWNOFSA-N 420.531 1.475 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(COCCO)CC3)n[nH]2)c1C 1644940851 HKDIVTHLWPMANP-UHFFFAOYSA-N 403.483 1.052 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C(C)C)c1cc[nH]n1 1647875894 FEPMDUFCYAAYRP-NVXWUHKLSA-N 405.499 1.415 30 10 HDEE COc1ccccc1[C@H](CNc1[nH]c(=O)n(C)c(=O)c1C#N)NC(=O)OC(C)(C)C 1651399208 ARJXCELXDBQWGU-AWEZNQCLSA-N 415.450 1.632 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cc2ncon2)CC1 1652277151 RVXJDAYVACEMGX-UHFFFAOYSA-N 417.491 1.370 30 10 HDEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1655337454 DQWRVVZDPZFPAO-RHSMWYFYSA-N 424.954 1.733 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCn2ncc(I)c2C1 1655683789 NRFWKERJMISTDO-ZDUSSCGKSA-N 424.242 1.615 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)cn1 1655958708 SCBUHUJSJMGSTP-UHFFFAOYSA-N 411.281 1.716 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1665329523 IYCBRHNNABTERH-SNVBAGLBSA-N 421.269 1.991 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 1679365919 RMAHXDPPVMICTR-GJZGRUSLSA-N 403.545 1.780 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 1682438985 WMKMGJIGZWSKJC-UHFFFAOYSA-N 406.552 1.616 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1682697503 IKBWTWIMKNSUGS-MSOLQXFVSA-N 421.519 1.291 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c1 1683191837 DQPWLUSWYRZTJI-GOSISDBHSA-N 408.437 1.729 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 1684425284 KQGHZWDJMXSASG-IBGZPJMESA-N 401.507 1.910 30 10 HDEE C#CCN(C(=O)NCCC(=O)N1CCN(C(C)=O)CC1)[C@H]1CCCc2ccccc21 1684782551 KQSGZRHKKAGCPP-NRFANRHFSA-N 410.518 1.790 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3nc4c(s3)COCC4)CC2)c1C#N 1685348216 QEVJHGSPIPIKMZ-UHFFFAOYSA-N 404.521 1.884 30 10 HDEE C#CCN(C(=O)NCc1ccccc1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1687187585 BDEFNEQZHJNHAL-INIZCTEOSA-N 406.504 1.974 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1687889500 ZWHNLQNRERJWKQ-KRWDZBQOSA-N 419.530 1.214 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1689984491 QEUDSZQAWZBZMW-ZBFHGGJFSA-N 405.524 1.423 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)NCC)CCC1 1690000152 TTZGDYCCBGFAAA-UHFFFAOYSA-N 419.489 1.305 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C 1690005078 QXRVOVJMQOBBSS-UHFFFAOYSA-N 421.461 1.221 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1690080209 KFWRQJTWUWIYGN-FMQUCBEESA-N 405.462 1.250 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1690086903 CJSYUHONVXFLJC-XLIONFOSSA-N 405.568 1.797 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1690372379 LBZQHYJFUSAPRE-RTBURBONSA-N 415.586 1.659 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1690419794 BLMXJVWGOGBQOP-OAHLLOKOSA-N 400.545 1.839 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CC)C2)C1 1690710902 YNYLASDXLRIDQG-QZTJIDSGSA-N 402.543 1.524 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1691002065 VCNSVBGXFVWBSB-WMZOPIPTSA-N 400.531 1.511 30 10 HDEE Cc1nnc(N(C)CCOCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693464089 MXZPRDKPZDDAMF-VXPUYCOJSA-N 410.478 1.766 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1705520205 LNXSSDDFEKSEPM-OAHLLOKOSA-N 414.535 1.740 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC 1705582725 IITXBARVIMIUIX-QGZVFWFLSA-N 417.510 1.696 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCC=C)CC1 1705636397 INQRCKLWOYGVNK-UHFFFAOYSA-N 403.494 1.642 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)CC(F)(F)F)CC1 1705638824 YAJGBSYPLQKEQQ-UHFFFAOYSA-N 421.471 1.898 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1705886665 CKWIEVNEPQZBDS-AWEZNQCLSA-N 412.560 1.158 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCOCC2)C1 1705928241 CDRUPCZPNJMUAS-GOSISDBHSA-N 403.527 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1C 1705934370 KDDUPCHTJPXCLI-QGZVFWFLSA-N 417.535 1.775 30 10 HDEE Cc1coc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1707716142 BHAWFYHYMLQEAA-LSDHHAIUSA-N 405.480 1.167 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)n(C)n1 1707804102 DCCJUUSTRGHYIV-NRFANRHFSA-N 404.478 1.609 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCC(F)F)cn1 1711250563 CDOQXHRAQLGDCE-OAHLLOKOSA-N 406.441 1.137 30 10 HDEE COC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)OC 1712149857 HDYRFZVSMMLDBT-CVEARBPZSA-N 423.420 1.937 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CC1 1712505779 VNPXLOWXDKCYJK-VQIMIIECSA-N 423.521 1.282 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722366441 RQUCIYCVDXHRIZ-LJQANCHMSA-N 401.536 1.740 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCNS(C)(=O)=O 1722422244 NXBCLBBDNPTCKC-UHFFFAOYSA-N 407.515 1.805 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(COC)CCOCC2)CC1 1722434991 CTRAFVAQGOMKJS-UHFFFAOYSA-N 410.522 1.539 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1722441917 UPEOZPCLIDKNDL-QHCPKHFHSA-N 422.533 1.133 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC(C)(F)F)CC1 1722446003 IRCDPOJOTCANFF-UHFFFAOYSA-N 403.437 1.746 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C)COC2)CC1 1722447046 CEKMDDOTKZULPG-KRWDZBQOSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722452169 RTRRUOJOSWUADC-GOSISDBHSA-N 418.611 1.902 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1722457757 MRVMCCUQRQNZGE-KRWDZBQOSA-N 415.567 1.649 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1722563853 BNRSLKRXGYPXCL-SFTDATJTSA-N 403.527 1.953 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1722628981 FCYQJSDNPOBCHY-MRXNPFEDSA-N 407.540 1.903 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN2CCCS2(=O)=O)C1 1722718827 NVGHEINKEPWRPE-INIZCTEOSA-N 411.572 1.684 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccnn2)CC1 1722737594 LSVPKHSBDWYPOU-UHFFFAOYSA-N 409.523 1.771 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1723662907 HSNIOXIVKRIGON-CKJXQJPGSA-N 418.542 1.972 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1727835105 ILKMIXMNSHLUKS-HTAPYJJXSA-N 424.505 1.822 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1727861787 MMMWMISUCBCUNN-APHBUQMISA-N 408.528 1.317 30 10 HDEE CCN(CC)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1728419429 NYPJDWCIGMKLTE-HXUWFJFHSA-N 423.521 1.904 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1740625787 PLBNPKQHMGYDHS-HNNXBMFYSA-N 407.565 1.783 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCN(C)C1 1740643527 NQHPWPURNJFMKI-HSZRJFAPSA-N 402.502 1.421 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCOCC1 1740685399 MYKXIWCZYXNCCX-MOPGFXCFSA-N 405.543 1.226 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1740693089 TTWAMSCNKMXAEP-COPCDDAFSA-N 419.570 1.483 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1740863775 GBTSVJOGVUMHAO-HNNXBMFYSA-N 407.540 1.348 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1748073357 AIOSXKXTINVDOT-UHFFFAOYSA-N 412.498 1.422 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748710540 SQAIXFKTPALDPU-QZTJIDSGSA-N 411.510 1.443 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748788006 LHJIGBYPCGWXOF-BZSNNMDCSA-N 421.567 1.793 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1748804433 HRKPZYLEPVLEHT-APWZRJJASA-N 416.547 1.959 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1748812396 VANQAEAMSFTVNA-KRWDZBQOSA-N 420.539 1.122 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1748818272 YNMUORUTZXKJSK-ABSDTBQOSA-N 422.551 1.195 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749366701 KACQITOSVGENJY-QGZVFWFLSA-N 416.570 1.785 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749456514 HBNIFYRMRGPDRN-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1749712129 FEPFTOJLEIEWRF-KURKYZTESA-N 423.583 1.826 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCOCCCO)c1 1750382348 TXSPDQSSJRCVJZ-NRFANRHFSA-N 413.478 1.211 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1ccnn1 1750441473 GMCQYPSAUHBJOS-UHFFFAOYSA-N 407.482 1.792 30 10 HDEE Cc1nccn1CCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1751805756 KCJHMVMXPUKJOO-LJQANCHMSA-N 406.494 1.978 30 10 HDEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1751863673 COSNRLHYJJROFD-MRXNPFEDSA-N 422.518 1.921 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@@H]1C 1760170417 BOKKSOZNYVFCHB-YWZLYKJASA-N 416.551 1.859 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC[S@@](=O)C(C)(C)C 1760193799 RAMCFNPPGGLXTB-MUUNZHRXSA-N 405.568 1.817 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 1760254469 XVYGLQNNGZIYGT-IBGZPJMESA-N 423.565 1.825 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760279958 GGEXLPFBDMXJDC-VXGBXAGGSA-N 403.430 1.363 30 10 HDEE C=C(Br)Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)C1 1760308990 YIHNNTBBNGWBLQ-UHFFFAOYSA-N 412.238 1.992 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760358600 XHEVXWXWUXIJKT-LJQANCHMSA-N 423.521 1.968 30 10 HDEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1760416515 GGSBLHIHVIQVLK-MOPGFXCFSA-N 422.533 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCOCC1 1760515352 MFCQZNSISMBDCQ-UHFFFAOYSA-N 409.288 1.565 30 10 HDEE C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1761514198 APVVKWMFWKCMDH-YCRPNKLZSA-N 412.469 1.944 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1762225291 BSSUHHWZSXLARG-VBKZILBWSA-N 404.515 1.476 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N2CCCCC2)cc1 1770739922 CNLOPTZYVSWOAX-LJQANCHMSA-N 419.489 1.948 30 10 HDEE COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1771083606 BJHMYTYJGYQSOI-FQEVSTJZSA-N 403.531 1.109 30 10 HDEE C[C@H]1CCc2nn3ccnc(N4CCN(C(=O)c5cnc(C#N)nc5)CC4)c3c2C1 1848520836 JUHFNHQSPHDAQF-AWEZNQCLSA-N 402.462 1.478 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3[nH]nnc3-c3ccc(F)cc3)CC2)nc1 1851956633 SLBKOTWMVVTJDJ-UHFFFAOYSA-N 421.436 1.856 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc(CON)cc2)cc1 1852000857 YBHJOVUPVWFYSV-OAQYLSRUSA-N 411.458 1.885 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)NCC#Cc4cnn(C)c4)cc3C2=O)cc1 1853170001 YNMXGDHKYYJSNE-UHFFFAOYSA-N 418.457 1.063 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)CC1=O 1853679139 DYQFQVMPDWNINZ-NVXWUHKLSA-N 401.511 1.794 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC[C@H]4CCCO4)C(=O)C3)C2)cc1 1854201602 DAIAYHXLFMBKAW-LEWJYISDSA-N 410.518 1.763 30 10 HDEE Cc1noc(C)c1CN1CCN([C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855096859 SLFVTFCDJXQZOI-IBGZPJMESA-N 408.462 1.117 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](n4cnc5ccccc54)C3)C2=O)ccn1 1856592404 KKUCPTYZNVDYHK-XLIONFOSSA-N 400.442 1.991 30 10 HDEE CC(=O)CCC(=O)N1CCN([C@@H]2CCN(CCOc3ccc(C#N)cc3)C2)CC1=O 1856642050 CKAOGCNGJIOYQQ-LJQANCHMSA-N 412.490 1.051 30 10 HDEE CSc1ccc(CC(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)cc1 1857175818 PIJOJVQMSDERNN-GOSISDBHSA-N 400.548 2.000 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857236200 AYMFEXJCMJLEIS-SJLPKXTDSA-N 402.495 1.318 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)CC1 1857295279 KZAOGTWCJVMLGK-FUHWJXTLSA-N 416.522 1.856 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1857321505 XNRMKCKEIVEBRF-ZWKOTPCHSA-N 414.506 1.796 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868598469 LBOMPJVAZXMBIH-IEBWSBKVSA-N 422.522 1.878 30 10 HDEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870419532 XOEHQCPFNNQJNX-UHFFFAOYSA-N 419.522 1.844 30 10 HDEE CCN(CC)C(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872637247 SVOXDQJRRSLPGV-UHFFFAOYSA-N 403.464 1.920 30 10 HDEE CN1CCN(c2ccc(N3CC(=O)C(c4nc(O)c5ccccc5n4)=C3N)cc2)CC1 1873531279 JZZSWWHPRZUMSJ-UHFFFAOYSA-N 416.485 1.804 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCOCC)ncnc21 1875228134 BGUMXPSBYIWJJK-UHFFFAOYSA-N 414.510 1.760 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 2174782429 QJLSAYPIIQGUNQ-ZGKBOVNRSA-N 413.521 1.969 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC(F)(F)C[C@@H]1CC(=O)O)C(F)(F)F 2200614483 KKGKSNWONZFSRD-SSDLBLMSSA-N 400.222 1.697 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCN(S(C)(=O)=O)C1 2235414476 KJDFWXXDYOEJFT-CQSZACIVSA-N 400.375 1.513 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)C1 2243272217 ZKRIFLWGRFMBGU-NKXNIHSHSA-N 415.412 1.667 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N(CCN)Cc3ccccc3)c2)OC1(C)C 2243437920 FBBUZSUTDVMGMD-UHFFFAOYSA-N 417.340 1.530 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 2247915428 BYEJGEWMDYGVIE-CYBMUJFWSA-N 424.303 1.503 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2247919093 PHYPJYWPOKATOW-QGZVFWFLSA-N 410.327 1.961 30 10 HDEE CC(=O)NCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267706699 DCRGWQKOOSDYKO-UHFFFAOYSA-N 408.738 1.115 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320661 LOYVZPZFXAGIAL-RYUDHWBXSA-N 405.322 1.307 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282328878 DUYRSPGRXIOHCA-UHFFFAOYSA-N 400.331 1.598 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCO[C@@H](CCF)C3)s2)OC1(C)C 2282333907 UZJIRDHLJPXIJP-LBPRGKRZSA-N 405.322 1.796 30 10 HDEE C[C@H]1CNC[C@H](C)C1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338978 VEXJUQFSJMQOHZ-RYUDHWBXSA-N 400.375 1.570 30 10 HDEE COCOCCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282415755 LUKAZPBONNUACA-UHFFFAOYSA-N 405.347 1.645 30 10 HDEE CCCN1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282493607 URYUXUIGRXCLRH-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282496397 ACGIBMMXXNUTGH-CHWSQXEVSA-N 401.359 1.571 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282505412 CZFJREBTTFSFLD-GXTWGEPZSA-N 401.359 1.986 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282506376 RGRWCIYLBVODLQ-OCCSQVGLSA-N 401.359 1.437 30 10 HDEE C[C@@H]1CC[C@H](N)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836037 DVFFYPUNAJWZNK-NEPJUHHUSA-N 401.363 1.084 30 10 HDEE C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848357 MPVQETGSWMDZFQ-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCCC[C@H]2N)OC1(C)C 2282849791 GZANBHPTJHMZCQ-KGLIPLIRSA-N 400.375 1.986 30 10 HDEE CN([C@@H]1CCC[C@@H](N)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851428 BOGVJZTZIFTRKE-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE CN(C)C1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282863342 QLBMWEWOGJEIGY-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282864204 CKCNSNBGVQPPDI-JOCQHMNTSA-N 401.359 1.971 30 10 HDEE CC[C@]1(N)CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282865329 SGJKQENHKWHAHN-KRWDZBQOSA-N 400.375 1.939 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N(C)C 2282877366 QKNDETJEVQMQNW-GXTWGEPZSA-N 400.375 1.618 30 10 HDEE CC[C@@H](C(=O)O)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284414103 DQKCTLCSZNKHDF-NSHDSACASA-N 404.319 1.067 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338222301 WDOXMLSTMQWIGX-KGLIPLIRSA-N 401.554 1.801 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2338335662 KKMRFJPBAOBTLY-LJQANCHMSA-N 402.491 1.547 30 10 HDEE CCc1csc(C#C[C@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338636974 CLTKYUBNOQASRJ-UONOGXRCSA-N 400.522 1.452 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2362567881 PBDHSAIYPZHAMN-MNOVXSKESA-N 400.331 1.090 30 10 HDEE CN(CC(=O)N(C)CCC#N)Cc1c(Br)c(Br)nn1C 2364323462 FQJLDARKHHSMPT-UHFFFAOYSA-N 407.110 1.749 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](O)C#CC(C)(C)S(C)(=O)=O)OCC12CC2 2365191419 NVUXXVWSEFRVTA-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@@H]21 2365208432 CFTJLQFABHKHEN-ZTENYAIWSA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCCC1 2367136139 BEYRMXNGNNMXES-GJZGRUSLSA-N 402.557 1.729 30 10 HDEE CC(C)(C)OC(=O)NC[C@@](C)(C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367784270 ALRLZDASRHTZAK-QGZVFWFLSA-N 403.497 1.732 30 10 HDEE CN(C[C@]1(O)C[C@@H]1C(F)(F)F)C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F 2370376575 FZPNADSNFHHGMA-LQQYEPNUSA-N 404.229 1.758 30 10 HDEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 20527617 UKZJYCFMCKZHEA-YDZHTSKRSA-N 424.534 1.912 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)cc2C1=O 27262153 LHTUMOHOXSMKME-UHFFFAOYSA-N 405.414 1.052 30 10 HDEE N#Cc1cc(C#N)c(SCC(=O)N2CCN(C(=O)c3ccccc3)CC2)nc1N 59499085 QTRVKBRUTNLYRM-UHFFFAOYSA-N 406.471 1.484 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)CCCN1C(=O)c2ccccc2C1=O 96348762 XZSWQBPWWOETTP-UHFFFAOYSA-N 403.438 1.590 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CC)CCC(=O)O)C2=O)cc1 96573482 TZYIDMQKZNVMJS-OAQYLSRUSA-N 417.462 1.732 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCN1CCO 427418121 ZWMIJEIKDLPKIR-INIZCTEOSA-N 408.458 1.814 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1Cl 441970266 RGQDVJQJDMGYDG-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1Cl 441981018 UOFKKWLIQNZMPC-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE N#Cc1ccc(Cl)c(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 447149690 BBYGZUIVJPIGJJ-UHFFFAOYSA-N 417.897 1.211 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(-n2cncn2)cc1 464818312 LLFCASXXKNZGSK-HZPDHXFCSA-N 417.477 1.910 30 10 HDEE COC(=O)c1cc(NC(=O)NCCOc2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 468171970 SULCGXGIOVCISJ-UHFFFAOYSA-N 417.443 1.949 30 10 HDEE CSc1nsc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 476646059 DVVBRZFZYJXJKE-UHFFFAOYSA-N 424.533 1.670 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 478742314 CSHMEGHUVXBYNK-ZWKOTPCHSA-N 424.522 1.588 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(F)c(C#N)c2)CC1 481664868 YEKGZLVGMGTQKW-UHFFFAOYSA-N 417.466 1.960 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)cc2)c1N 482573675 BWUZTEPNPHNAES-IBGZPJMESA-N 418.432 1.996 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 501993958 KVAATHROYYMRDN-MRXNPFEDSA-N 416.507 1.932 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 508922437 QKBUOYIHXCFHEC-QGZVFWFLSA-N 405.524 1.742 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C)c2=O)cc1[N+](=O)[O-] 518034178 GMKYDIUAUVDDNH-UHFFFAOYSA-N 401.444 1.482 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)c(F)c1 523967625 BBCXSDWINDYAQZ-UHFFFAOYSA-N 422.464 1.980 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 541900859 DMXMFDUYQJCBCL-GFCCVEGCSA-N 402.890 1.765 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)no2)CC1 549036687 YHHXBBXZTSRLEF-UHFFFAOYSA-N 408.466 1.762 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 554244833 KIUHWWIZCSANFM-UHFFFAOYSA-N 410.565 1.762 30 10 HDEE N#CC1(c2ccccn2)CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 554543012 REZJLOLJDOVHGA-UHFFFAOYSA-N 417.512 1.657 30 10 HDEE CN(C)S(=O)(=O)N(CC#N)CCCOc1cccc(I)c1 571690642 KCOVPCKFPUWDEF-UHFFFAOYSA-N 423.276 1.692 30 10 HDEE COCC(=O)Nc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 603557180 ZIAVNDQJDRTVBE-UHFFFAOYSA-N 408.462 1.570 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 603798411 KZFUWGCMLAFULH-MRXNPFEDSA-N 413.474 1.010 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 609439362 MKEPAXHSBYBLFB-AWEZNQCLSA-N 424.548 1.561 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)CC1 609491338 ICLXGLXWTLWWDL-UHFFFAOYSA-N 418.501 1.760 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619751158 QLNYXMQUYJAMQA-ZBFHGGJFSA-N 400.526 1.371 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 679525152 HJDNXSOBXIJFKD-UHFFFAOYSA-N 406.435 1.916 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)[C@H]1CCS(=O)(=O)C1 729332665 UEKVPXQYEVYUGI-INIZCTEOSA-N 417.487 1.717 30 10 HDEE COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732669541 CCAFMWYXOYFFIE-ZDUSSCGKSA-N 417.409 1.853 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)c1 734770584 MUSYYKTYNXRLHN-KNQAVFIVSA-N 405.454 1.951 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccc(C#N)cc1 740247463 DTDNUCVUACXBOM-GOSISDBHSA-N 404.382 1.914 30 10 HDEE COc1ccc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1C#N 746867357 DOQIPOXJMYWYCR-UHFFFAOYSA-N 413.430 1.639 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2csc(C)n2)c1=O 758078501 ODTLGPKLGQOQGF-UHFFFAOYSA-N 421.503 1.703 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2C)n1 764563447 ZWZZDRHJFRUCBK-UHFFFAOYSA-N 410.459 1.719 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2ccn(C)n2)C1=O 765546296 BNYMBJRASOGIBX-HNNXBMFYSA-N 401.448 1.417 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1cc(F)cc(F)c1 767630338 ZIMGGYDMWVGERS-LLVKDONJSA-N 423.397 1.685 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767873892 VXSKBSKWNAASRI-GFCCVEGCSA-N 403.529 1.664 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@H]1CCCO1 773790980 BGJCISNIYHSPSC-QZTJIDSGSA-N 407.474 1.907 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@@H]1CCS(=O)(=O)C1 774214048 SEMUVBLBIFEDOM-GOSISDBHSA-N 422.551 1.335 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 788695417 MTDFDQTVZQLHFD-UHFFFAOYSA-N 405.476 1.515 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)n1 790107460 DDOPTFGFXKPDDT-LJQANCHMSA-N 402.401 1.963 30 10 HDEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)NC(C)C)CCCN1C(=O)OC(C)(C)C 790536129 ZDUYCWPCMUOWNA-SFHVURJKSA-N 403.545 1.776 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1F 801362335 HMIFTXRFPDLKHN-UUPHZHHOSA-N 416.409 1.360 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H]1CCN(c3ccc(C#N)cc3)C1=O)C2=O 812515871 QFGGXSZBTJOWLB-XKZIZAOGSA-N 424.457 1.707 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cscc1C#N 814611523 SDDJHUDZWNAMRJ-JTQLQIEISA-N 405.457 1.402 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 921042852 DNCSYMAILHHYFL-GFCCVEGCSA-N 406.302 1.717 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(F)cc1 1116382791 RNEMNTSZKXEBRP-SASZOBLLSA-N 401.442 1.397 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)S(C)(=O)=O 1119009089 ZEUNJDKZXSTSJG-ZDUSSCGKSA-N 404.558 1.016 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1126396517 GEKACBXZKHOIBS-UHFFFAOYSA-N 423.517 1.769 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 1126774352 IZIRLYIXEYKWJQ-KRWDZBQOSA-N 402.455 1.109 30 10 HDEE N#Cc1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)ccc1Br 1130039284 DYLTYVVOMILPNR-LBPRGKRZSA-N 414.219 1.795 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1144027902 RKVGAVCIJJRQFN-GOSISDBHSA-N 422.570 1.600 30 10 HDEE CCn1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1146542893 FPJVCWXJCKYFEE-UHFFFAOYSA-N 404.496 1.213 30 10 HDEE COc1ccccc1[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1151655768 BKQBALIAUHOODP-LJQANCHMSA-N 415.471 1.445 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c1 1164438355 SOIIFZXXBAPAJH-HSZRJFAPSA-N 416.437 1.796 30 10 HDEE N#Cc1ccc2nc(NC(=O)CCC(=O)N3CCN(c4ccccn4)CC3)[nH]c2c1 1169189316 CHJCZROKDVQROV-UHFFFAOYSA-N 403.446 1.897 30 10 HDEE Cn1c(SCC(=O)Cc2ccc(C#N)cc2)nc2cc(S(N)(=O)=O)ccc21 1188242770 BPISWOFLNXHORO-UHFFFAOYSA-N 400.485 1.996 30 10 HDEE CO[C@H](CS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 1189272086 GJZNKPBJEOIWJS-GOSISDBHSA-N 403.508 1.440 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c(Cl)c1 1193289368 GAPGAFCJQAQTQY-UHFFFAOYSA-N 407.835 1.900 30 10 HDEE C[C@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H](C)C(=O)Nc1ncccc1O 1213424182 GMCRJWQCDCMOHY-NEPJUHHUSA-N 406.439 1.881 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC3(CCN(C)CC3)C2)cc1 1214687088 MMYFQTZZHPAUSN-UHFFFAOYSA-N 422.551 1.822 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1227206694 HROZSBWLRMBCFD-WOJBJXKFSA-N 400.523 1.612 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1286271609 UFKNXAFKIMQGJA-MRXNPFEDSA-N 408.506 1.770 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1286297754 YHVXODNMNJJMMW-YOEHRIQHSA-N 419.507 1.188 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1286443446 HEFDSTLVBLQLAF-GOSISDBHSA-N 408.506 1.633 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C(C)(C)C 1286565228 ZIVCEUWFMRGFOU-LHHMISFZSA-N 406.527 1.917 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(CC)c2)CC1 1286651454 FGVSWLNRAAAQLS-CQSZACIVSA-N 407.544 1.555 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)OCC 1287778050 QSSZQHGUHCZGGL-MRVPVSSYSA-N 401.798 1.518 30 10 HDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1290521865 BZLLQUZDQDHJNK-SFHVURJKSA-N 404.478 1.724 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cccc(O)c1 1294870798 MVSIHZSTRVEFQW-QGZVFWFLSA-N 420.418 1.863 30 10 HDEE C[C@H](CCN1CCN(C)CC1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1296695112 DCOFIQVTCVOBHZ-GOSISDBHSA-N 406.571 1.779 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1300321790 NRDYZRGNYQZPSS-CQSZACIVSA-N 418.448 1.946 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ncc3c(n2)CCOC3)CC1 1300326892 URWHSYHGZGKTEU-UHFFFAOYSA-N 400.479 1.816 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300485584 XFLBYZRSKUTITG-HZPDHXFCSA-N 407.565 1.578 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCCN(C)S(=O)(=O)CC 1300618963 PNLJPVPMHXSXKM-UHFFFAOYSA-N 404.540 1.780 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1300649739 NVZOITLTBBTJMI-UHFFFAOYSA-N 412.469 1.268 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1nnc2n1CCCCC2 1301423876 CNNKEJZQVDOQKT-MRXNPFEDSA-N 401.515 1.787 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1301509560 JAMFXVOFEUHCGW-ULQDDVLXSA-N 400.527 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301584925 GGNWHJHYBWNWFU-GJZGRUSLSA-N 410.496 1.651 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NOc2cccc(C#N)c2)C1=O 1302373747 MVPUJPHDIHSXOA-MRXNPFEDSA-N 402.451 1.732 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1 1303761555 GAKLSKZENWGMAE-JXFKEZNVSA-N 404.488 1.834 30 10 HDEE CC[C@]1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1305890024 CJHWVSIGGKGWCH-IFXJQAMLSA-N 419.507 1.698 30 10 HDEE C#CCN(C(=O)NCCCc1nnnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1313405319 ZQPGYXQPPFHOJL-UHFFFAOYSA-N 405.503 1.187 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1314403061 FGWGDRRIYSBPAE-HPGBDJQBSA-N 403.508 1.470 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1315042034 DAGDCHFVFNUOMG-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE COC1(C)CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315259093 YMSWJBPBHUADBA-VLGSPTGOSA-N 411.466 1.035 30 10 HDEE COCCOCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1316257175 LBNDNJRNHXIDNK-INIZCTEOSA-N 415.450 1.456 30 10 HDEE Cc1c(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cccc1C(=O)N1CCOCC1 1318851331 AESWMZYBIRUVAM-VXPUYCOJSA-N 412.446 1.322 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1325858116 PSDDNIXLWLDDNK-ZIAGYGMSSA-N 420.543 1.385 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)n2)cc1 1354673552 FHDUOJZACCBBTD-IAGOWNOFSA-N 406.446 1.702 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCN2CCOC[C@H]2C)c1 1358903340 SXCWSQIQVUHRTD-QGZVFWFLSA-N 410.522 1.617 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@@](=O)CC 1358937713 FMPGVSQBQDXVQV-MHZLTWQESA-N 407.927 1.700 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1358937890 KMAKJOKAFHMFCR-ZDUSSCGKSA-N 419.507 1.513 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2OC)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1358964843 IJDMVVYNQBNZMU-QGZVFWFLSA-N 400.504 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C)n(C)c1=O 1358971616 BRYGVUPPUVNKIX-UHFFFAOYSA-N 416.441 1.982 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1359002451 ZSHKJIIUVUJGAD-NRFANRHFSA-N 403.527 1.648 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1359034959 HQWGURSXNYZPCK-ZWKOTPCHSA-N 402.543 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359043964 PFGTUHXLSPRCGQ-AOMKIAJQSA-N 410.522 1.790 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OC)C1 1359099994 VSDGPLWTWHJMNY-NXOAAHMSSA-N 410.540 1.387 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NCC)CC1 1359104854 GNGVGEYIIXOZCZ-RCCFBDPRSA-N 418.542 1.962 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](CNC(C)=O)C1 1359143080 UIABOGUQXLGWSS-DZGCQCFKSA-N 401.895 1.096 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccc(F)c(Br)c3C2)C1=O 1437930199 REPMVNDOAXGNCU-UHFFFAOYSA-N 424.226 1.450 30 10 HDEE C#CCN(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1442020406 VYLVSKCBOJXLEY-AFYXXPPBSA-N 410.536 1.839 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@@H](C)CC#N)c1 1443878545 HFSUEGFUDCWPLD-INIZCTEOSA-N 421.567 1.957 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1455706941 WIQIYXVPAVFRRZ-WMZOPIPTSA-N 407.511 1.440 30 10 HDEE Cn1cccc1[C@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1466771059 UXRCWUSKCIJLCB-IEBWSBKVSA-N 421.457 1.702 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1467456952 ZANWOMSECGSBDL-QPJJXVBHSA-N 418.437 1.926 30 10 HDEE O=C1CC2(CCCCC2)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)N1 1467829383 SESMVJLFYNGKIH-UHFFFAOYSA-N 404.492 1.472 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1467992249 QUAOAPKUQAJNSS-AOIWGVFYSA-N 410.536 1.377 30 10 HDEE C[C@H](CC(=O)N(C)[C@@H](CO)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1468341284 AGFFFSAJUCPRQP-PBHICJAKSA-N 401.488 1.696 30 10 HDEE CC(=O)Nc1cccc2c1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1471080827 FDJCXOPCHJLRBN-UHFFFAOYSA-N 412.471 1.380 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1471125641 SUEGTZMXZRLXHW-ORAYPTAESA-N 400.447 1.586 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 1471832837 KGNULAYLMHYHEL-UNERYHBUSA-N 408.502 1.004 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1F 1472224311 JBLNCXICFCNBKB-UHFFFAOYSA-N 421.475 1.902 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1478656280 WFIFUEAOZFJMMS-KFWWJZLASA-N 403.483 1.917 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CCO2)c1 1479036323 IKAFSRKBQLZYTR-QGZVFWFLSA-N 418.450 1.628 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)cs1 1492675441 YQYBTFPGMKZXJU-YJBOKZPZSA-N 406.487 1.881 30 10 HDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1501092904 GMGPXTUMIIRKBQ-GOSISDBHSA-N 423.521 1.648 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1507529185 QNEBJLPWJBYZMQ-OAHLLOKOSA-N 414.535 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1507652924 KHFSHOLRGUSSBT-IAGOWNOFSA-N 407.465 1.211 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCn2ccnc21 1507659224 NZQSTRIQGJBLIU-FHWLQOOXSA-N 408.506 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOCC1(C)C 1507700068 MQEDZZOPDAUROS-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCC[C@@H](O)C2)n1 1507717212 RFVLXKAUMCAKMW-IEBWSBKVSA-N 400.527 1.874 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)CCOC)CC1 1507728374 RVTVBGCETOLDDR-HXUWFJFHSA-N 418.567 1.177 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1507840064 IXUYSPXLUDELKP-UHFFFAOYSA-N 403.508 1.890 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1507842702 CLIANDLBHMVAPJ-IAGOWNOFSA-N 418.542 1.707 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507930159 ZUPDSNRYMQPUHC-APWZRJJASA-N 412.556 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CC 1508144840 HZUQFOILKPYIBO-GJZGRUSLSA-N 416.569 1.160 30 10 HDEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1515126142 UKPAOMZBORONPI-WMZOPIPTSA-N 404.515 1.658 30 10 HDEE CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1517593102 GLMTYDVUROZVEG-UHFFFAOYSA-N 405.466 1.003 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1519269618 GAXOXHFAFDANTB-MGPUTAFESA-N 404.515 1.610 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1521627842 DSSVUXCXSHPKNG-IBGZPJMESA-N 408.520 1.447 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1539003264 BOIFJZYTWWJGLJ-GJZGRUSLSA-N 404.515 1.944 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCCN(CC)S(C)(=O)=O 1539004458 TWCFLDLLMJEEIL-MRXNPFEDSA-N 404.540 1.778 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ncc(C#N)cc1Cl)CCS2(=O)=O 1539175586 BLGASHUVTXUGSX-JKGQDXBKSA-N 411.867 1.235 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1539193988 ONKBBDLFIXRCPI-UHFFFAOYSA-N 403.508 1.269 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(N)=O)c1 1539237267 BSNWUCVNPGHDAW-QFIPXVFZSA-N 407.474 1.150 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1539265032 CKGKHLWPUWHABS-LJQANCHMSA-N 412.515 1.448 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H]1C(C)C 1539296123 MGJUXEMULNNXOD-OKZBNKHCSA-N 421.567 1.412 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2F)CC1 1539445968 MDGKKAGBBHTXBS-SFHVURJKSA-N 412.469 1.180 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539621821 TUVMFSZNAAVWAP-SQNIBIBYSA-N 412.556 1.598 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCS(=O)(=O)CC2)CC1 1539884883 SGTNPGPTRVPCNR-UHFFFAOYSA-N 404.540 1.906 30 10 HDEE C[C@@H]1CN(C(C)(C)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1540533428 XPYUPWGTENOJSA-ZIAGYGMSSA-N 411.499 1.741 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(F)(F)F 1540874474 HWJUEBBGZMGSPG-UHFFFAOYSA-N 416.429 1.570 30 10 HDEE CC(C)C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1541411865 FEIOIWANBGVQDW-OXJNMPFZSA-N 405.522 1.932 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)cc2S1(=O)=O 1543288553 NJVTYLIQXGMASQ-CYBMUJFWSA-N 424.280 1.274 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1544780309 SLIHYLOEQWAIFS-KRWDZBQOSA-N 400.479 1.539 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1552681780 RITDQZXIJGPXAO-QFIPXVFZSA-N 421.505 1.402 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCOC[C@@H]1OC 1555728211 IRPUUAKNBXIFEW-FPSMNIFISA-N 407.515 1.792 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(I)cc([N+](=O)[O-])c1)C(=O)OC 1556970928 MLWSUFINLGOMGF-LLVKDONJSA-N 402.144 1.494 30 10 HDEE C#CCN(CC(=O)N[C@@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1557453312 CKWOLYQPHBIQMN-HNNXBMFYSA-N 423.510 1.751 30 10 HDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@@H](C#N)CO)C[C@@H](C)O1 1569055239 NWZGFFQAEYQIIZ-MJBXVCDLSA-N 401.492 1.336 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 1569718084 RZUSURRIGPVSPH-AWEZNQCLSA-N 417.443 1.736 30 10 HDEE C#CCN(CC(=O)N1CCCN(C2CCN(CC)CC2)CC1)C(=O)OC(C)(C)C 1570442505 WESOYCQZENCXGQ-UHFFFAOYSA-N 406.571 1.875 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589060575 UABGIQQZUGQVMG-HNNXBMFYSA-N 411.597 1.772 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1589088841 KNECPDUNMAJAFP-CVEARBPZSA-N 421.592 1.888 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(N)=O)C1 1589560343 ZDEWZFNXVDFQNG-WSTZPKSXSA-N 410.522 1.947 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1589580212 NGPIBKSMQJYUTD-HOTGVXAUSA-N 411.572 1.638 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1594784223 URBKWMRSVKZIFZ-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1C 1595506978 SDUSDMNAKIRPSH-UHFFFAOYSA-N 414.901 1.974 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595551559 RSTJLBAJAXUJFY-IAGOWNOFSA-N 404.559 1.326 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3OCC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1595602847 SHZDNPOXZYCMBA-WWMYMODYSA-N 419.526 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]2CC[C@@H]21 1595838147 MEPRWUBBSLMDKI-OWSLCNJRSA-N 424.567 1.982 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1596930536 JGKOKINAAISIJR-HNNXBMFYSA-N 412.490 1.685 30 10 HDEE Cc1cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)nn1-c1cccc(C#N)c1 1611111729 MENVAQRJCJQAMC-LJQANCHMSA-N 400.460 1.082 30 10 HDEE CSCC[C@@H](C(=O)NCc1nc(C#N)cs1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1611469885 LTKNRXAFPISWFO-MJBXVCDLSA-N 406.533 1.928 30 10 HDEE CCc1cnc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)s1 1613845721 NIOBDFPJIMQMLH-KBPBESRZSA-N 406.512 1.798 30 10 HDEE C=CCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1617224531 BDWWAFXWIHMXOX-SFTDATJTSA-N 415.534 1.776 30 10 HDEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1618279321 ZLHSHKDWWBIJEH-KBPBESRZSA-N 402.421 1.395 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCCC2)CCO1 1620354949 FANGTDJKCLUHBR-OAHLLOKOSA-N 400.508 1.705 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCCN3S(C)(=O)=O)n[nH]2)c1C 1623329668 IXQINFQQRKTSEB-CQSZACIVSA-N 406.512 1.230 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CC1 1635181525 GTRXGSZHEQDPLM-QFIPXVFZSA-N 424.501 1.971 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636622589 KLINZVMVHSSDNV-QWRGUYRKSA-N 421.338 1.164 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1636839329 ZKIXHECPESSHAA-NWDGAFQWSA-N 413.425 1.512 30 10 HDEE C[C@@H](Sc1nc2ccccc2s1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637513841 QLTSHMQNAOYOAQ-SNVBAGLBSA-N 413.484 1.994 30 10 HDEE C#CC[C@@]1(C(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CCCN1C(=O)OC(C)(C)C 1637651978 VCRCVUQDARJSNW-IBGZPJMESA-N 423.491 1.771 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1638015291 LJSQZOYOTXOUJX-HUUCEWRRSA-N 419.482 1.535 30 10 HDEE C=CCOc1cccnc1C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1640908241 XNTFJRDNDKCVHC-UHFFFAOYSA-N 416.503 1.439 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](O)C(F)(F)C1 1641047458 YSKCONDYGLQSMP-ZFWWWQNUSA-N 415.462 1.368 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CCO2)cc1 1645728457 YCILGEBIFPSAEV-LJQANCHMSA-N 417.462 1.966 30 10 HDEE COCC(=O)NCCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125404 FFUWORRKXILMGE-HTQZYQBOSA-N 412.277 1.769 30 10 HDEE CO[C@H]1CCCN(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1652178219 FLAPWYKCCCKEBR-KRWDZBQOSA-N 406.508 1.101 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C)CCC2(CC1)OCCO2 1653137416 RJSSJHGZHNHTLA-HNNXBMFYSA-N 421.519 1.665 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1653604201 ZZTJYYRNABNZET-LSDHHAIUSA-N 415.437 1.675 30 10 HDEE N#C[C@@]12CN(CCC(=O)Nc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1654889208 SUFDMLUPHCWEHQ-LRDDRELGSA-N 412.309 1.648 30 10 HDEE C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660310315 YESUFFOOTBJERM-GDLVEWKHSA-N 412.855 1.445 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cc(S(N)(=O)=O)ccc1F 1662923023 DQELGXJPODTXIE-UHFFFAOYSA-N 401.416 1.271 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1670465391 DXPPFBLSWDCXAT-SFHVURJKSA-N 406.504 1.578 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NCCOCCS(N)(=O)=O 1670845376 OQOIFYNRVVMUOX-UHFFFAOYSA-N 422.301 1.441 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1)C1CCN(C)CC1 1672658652 WODNUKOHGDXMPE-SFHVURJKSA-N 408.543 1.751 30 10 HDEE C#C[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(Cl)cc1 1683676530 ORPHDXRCEHPAAH-SFHVURJKSA-N 412.877 1.746 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1685717292 HWIBQXPWSFTTGM-LJQANCHMSA-N 416.503 1.513 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CN(C(=O)OCC)C[C@@H]1CO)c1ccc(Br)cc1 1686921824 TXLMJZNIVDIDOV-KBMXLJTQSA-N 424.295 1.872 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1689823955 DJILXRNPFIGHRJ-QGZVFWFLSA-N 408.506 1.710 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689986743 WEQQQVBRVKHMIM-LJQANCHMSA-N 424.530 1.777 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)=O)C1 1690049812 IRCVBEQQUJCYNL-NRFANRHFSA-N 404.518 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1690052619 NATJHMPPCRMWAJ-XMMPIXPASA-N 421.545 1.601 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1690060751 HBLAWJOELYRBJI-IIBYNOLFSA-N 403.527 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1690092357 FQVSPCPIZGTBFP-FQEVSTJZSA-N 420.583 1.037 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690181224 QRVSSQYAIUAOOX-HZPDHXFCSA-N 407.540 1.007 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690236209 JQVMLABIAOOAGJ-VWKPWSFCSA-N 418.542 1.360 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1690597478 VBVFMADDHJFDRM-GVDBMIGSSA-N 410.540 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@H]1C 1690661643 CBDQGKPHROCRDU-GFCCVEGCSA-N 423.315 1.573 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Cl)cn2)C1 1690685080 VASKIRHSDZFXOA-HNNXBMFYSA-N 407.906 1.748 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1690715358 JPAKHKXQVASFFY-HOTGVXAUSA-N 409.556 1.594 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1698239535 YYRYAHBQNOVQNN-OKYOBFRVSA-N 419.526 1.794 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701522243 QGZKKWRXNUSREV-XUFBONQXSA-N 403.523 1.330 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1705485225 GLPNRMVRCHQLLZ-VFNWGFHPSA-N 400.479 1.962 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1705542094 YFTCSVZUMMDFAV-HZPDHXFCSA-N 416.551 1.409 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1705612343 FFHDRUJPESCNMC-CQSZACIVSA-N 421.548 1.131 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2)N(C)C)CC1 1705637598 DJHHQMZNBFYNFE-OAQYLSRUSA-N 418.549 1.737 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1705684891 GJYDJWAKMGBLBN-INIZCTEOSA-N 407.272 1.639 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@H]1OC 1705879558 CZFOISXKHIGTNH-DLBZAZTESA-N 407.515 1.204 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCCC(=O)NC 1705896773 XOMQRKDSJHCEJX-UHFFFAOYSA-N 410.478 1.956 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705905369 SQCJQZBPTVTHKM-JOCHJYFZSA-N 424.505 1.510 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)C1 1705914297 KVRAQDKNVQCMOG-SFHVURJKSA-N 400.527 1.557 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1712328834 CNRMSFHMJNAWGR-FQEVSTJZSA-N 415.494 1.741 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)CC1 1712883269 WGWGRKVOICZYJP-JTQLQIEISA-N 403.231 1.957 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722335569 FPRVAQFTLLEPKI-CABCVRRESA-N 400.508 1.985 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(OC)c1)N(C)C 1722356210 CVIWUZWLFUZMIU-LJQANCHMSA-N 410.522 1.781 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1722371715 XSZMWROJNFQUKO-GVDBMIGSSA-N 408.524 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@@H]1C 1722382247 KSNBLDNXGJVXHZ-VGSWGCGISA-N 404.474 1.129 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC[C@@H]1C 1722529772 BXFCAHQWFIATBF-INIZCTEOSA-N 410.482 1.739 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1722632896 LLORCWRIXMSWTF-UHFFFAOYSA-N 405.528 1.305 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CC(N)=O)CC1 1722701300 MAOLWWTYFLEUMJ-UHFFFAOYSA-N 402.524 1.324 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739161854 VLGCCJVGSQVDQJ-ADWMHYPASA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1740557939 BFSJGNKQKVRXBT-GJZGRUSLSA-N 414.514 1.985 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCOC1 1740630423 IYMIDWWVWSYLFM-QGZVFWFLSA-N 412.515 1.848 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1740673987 PCFFIXHLHKMDIN-UHFFFAOYSA-N 404.478 1.489 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)C(C)(C)C 1740688751 UQVLGULZOZDHHY-UHFFFAOYSA-N 415.542 1.388 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1740689321 ARAKWDJXFJJRLR-UHFFFAOYSA-N 414.598 1.976 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1740719959 NLGNIZGBOAMWTG-INIZCTEOSA-N 401.540 1.173 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)NC)C1 1740982327 UXVMHWIQVPDNJH-MRXNPFEDSA-N 423.514 1.339 30 10 HDEE CC(C)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741357303 WLJZVCWWINJFIS-UITZCYDRSA-N 414.510 1.935 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1743272367 VAEMKLGYFWCMFN-MQINBFPNSA-N 410.482 1.297 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCOC1 1747660077 HRRVXXKUDIIHHG-QGZVFWFLSA-N 424.505 2.000 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNc2ccccn2)CC1=O 1748062162 ZXKVUTAMARGKIN-UHFFFAOYSA-N 416.489 1.992 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC(=O)N(C)C)c1 1748692855 QJRJYDYZJSGYPV-QGZVFWFLSA-N 424.505 1.317 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1 1748903365 YHEIBPSQNKFGLF-UHFFFAOYSA-N 424.501 1.870 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749225939 LUDXRXCIOKSBLP-IAGOWNOFSA-N 404.515 1.174 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1749391877 UQJGCIJDHGTRTK-HOTGVXAUSA-N 424.571 1.446 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1749487984 HOYUKTUMUSJOJQ-LJQANCHMSA-N 411.554 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCn2nc(C)nc2C1 1749732445 WTFRNSNTPUQHHR-OAHLLOKOSA-N 421.527 1.041 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749754035 FEILQZVDHCSEIU-MCIONIFRSA-N 415.585 1.406 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(O)cc1 1751211357 FUIYATYVQLQWQP-AWEZNQCLSA-N 418.523 1.772 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCC(F)F 1751217287 BXCUFXDJRBIOQD-BLLLJJGKSA-N 420.486 1.300 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](COC)OC 1760200862 VGYKMVGAZVBHSL-HXUWFJFHSA-N 404.474 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCN(C)C1 1760213203 UAWXCZHXIYTKPX-OAQYLSRUSA-N 408.462 1.383 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760236565 AUKFPZQOFAABPS-FMQUCBEESA-N 405.462 1.250 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1760245602 JIKDAVAPLAKJTP-RBUKOAKNSA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(C)cc2)CC1 1760252324 PFZMNYVQOWJQQP-UHFFFAOYSA-N 406.534 1.820 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1760316038 LMRVDIHCLRGRDG-QXSJWSMHSA-N 410.544 1.465 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760316977 YZOBTXKXUJMQTE-ULQDDVLXSA-N 411.572 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760520223 GOODOVTXDJQFIE-NRFANRHFSA-N 410.478 1.115 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760524021 NFSAXSDIBFGOGJ-UHFFFAOYSA-N 420.521 1.831 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C1 1760549664 JMUVHIYEJQDXQF-SFHVURJKSA-N 410.478 1.646 30 10 HDEE CCc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)s1 1764512372 FFSQXSUKYUJHMS-CQSZACIVSA-N 400.508 1.801 30 10 HDEE CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1766721906 IGCWQJHEHVBANJ-SFHVURJKSA-N 412.535 1.782 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1766975214 HABKWNZQFZXYBB-UHFFFAOYSA-N 421.509 1.245 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)C[C@H]1O 1767920754 VLVCORPIRSTVMP-GUDVDZBRSA-N 423.473 1.870 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1(C)C 1769089497 CJGBYABKMMXKFJ-GCJKJVERSA-N 410.522 1.745 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCO1 1769243643 MDTLECGREYWTFR-IBGZPJMESA-N 421.505 1.030 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1770728053 MQMVKFFIRJFLFN-FCEWJHQRSA-N 416.413 1.835 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)C[C@H](C)C(=O)NC 1772660529 DEZVORYTVNPAPJ-HNNXBMFYSA-N 405.524 1.364 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1772665868 XNPNMAMAKFJALH-KFWWJZLASA-N 417.528 1.053 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1772788431 STEQMMZBWBNYCQ-MRXNPFEDSA-N 400.412 1.594 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1850004085 GLUBUOJROUGCPB-KRWDZBQOSA-N 422.526 1.578 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cn1 1850090370 PPNPPCNEUQXBCX-GOSISDBHSA-N 420.922 1.785 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(Cc2ccccc2F)C1 1850794876 PKSCNEIPTZWONK-CYBMUJFWSA-N 401.419 1.440 30 10 HDEE N#Cc1ccccc1N1CCC(C(=O)NCCS(=O)(=O)N2CCCCC2)CC1 1851767881 JGKKNTPIKKQYOX-UHFFFAOYSA-N 404.536 1.707 30 10 HDEE CNC(=O)c1cc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)ccn1 1852173362 OJVMTTITITVGQB-LJQANCHMSA-N 424.457 1.249 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)NN1c1ccc(Cl)cn1 1852495788 VODSTDYEIZMYPN-KGLIPLIRSA-N 418.929 1.706 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2c(F)c(F)nc(F)c2F)CC1 1852683125 BCGIYQIFCNOQDO-UHFFFAOYSA-N 409.343 1.884 30 10 HDEE CN(C)c1cncc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1 1852788972 VDCMTQKMFSZRCH-NRFANRHFSA-N 410.474 1.956 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1853687364 LXDFBOZCBHKGPM-OAHLLOKOSA-N 400.458 1.053 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)CCc2c(C)noc2C)C1=O 1854059404 JXUKRRVVYNHLBJ-OALUTQOASA-N 416.522 1.850 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3csc(-c4ccccc4)n3)C2)CC1=O 1854202679 NCHIGTSTYFOLOZ-SFHVURJKSA-N 409.515 1.969 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)C1 1854274968 RCRUQVSMBQPBRL-INIZCTEOSA-N 402.426 1.347 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCCC#N)[C@H](C)C2=O)cc1 1854281504 NZLMPHWDPORVRY-QGZVFWFLSA-N 405.520 1.912 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3c(=O)oc4ccccc43)C(=O)C2)c(F)c1 1854337404 HNUDNTZFHOIWME-UHFFFAOYSA-N 408.389 1.476 30 10 HDEE Cn1nncc1C(=O)N1CCCC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1854855537 ZKYXVQUNQVDTLG-KRWDZBQOSA-N 407.478 1.483 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCOC3)C2=O)CC1 1854861669 WZEYDHJGKHLPPN-PKOBYXMFSA-N 412.490 1.598 30 10 HDEE Cc1nc(C)c(CC(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)s1 1855008941 ZMMCSBDBDAUDPI-YOEHRIQHSA-N 403.552 1.740 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855622204 WBNBOWDZGBMKLN-KRWDZBQOSA-N 403.504 1.938 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856551426 MTUWLTQNJBPCFR-MJGOQNOKSA-N 416.522 1.157 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@@H]1CCN(C)C1=O 1857079047 AGDRSGNYNUTIPE-SJLPKXTDSA-N 414.506 1.578 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cnn([C@@H]3CCOC3)c2)CCN1Cc1ccc(C#N)cc1 1857166805 ZVQMMYADFXXVKF-LJQANCHMSA-N 407.474 1.979 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)c2ccccc2C#N)c(OC)c1 1858019011 WVRRBDYBVDCFHW-UHFFFAOYSA-N 403.460 1.907 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(F)c(F)c3)cc2C1=O 1870148410 LZNVCHFJYFPTEQ-UHFFFAOYSA-N 408.324 1.895 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](N=c2[nH]ccc(C#N)c2Cl)C1 1877659354 NMHPYBQMDIRDAN-NEPJUHHUSA-N 400.888 1.473 30 10 HDEE CS(=O)(=O)c1ncc(Br)c(C(=O)N(CC#N)Cc2ccccc2)n1 1942214480 SGVWKJHULFNPJW-UHFFFAOYSA-N 409.265 1.809 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)C(F)(F)F)C2 1982281961 RUHQJFJSGSHWGA-AEJSXWLSSA-N 405.236 1.756 30 10 HDEE C=C(CNC(=O)C1=C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991968679 XMMAEKJUAZMSON-LSDHHAIUSA-N 408.304 1.875 30 10 HDEE C#CCOCCOCCNCCOCCOCCOCCC(=O)OC(C)(C)C 2080489138 ZJFHNHCTHVLHTD-UHFFFAOYSA-N 403.516 1.024 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2118172494 WBOHLGUVRKANBY-AKHDSKFASA-N 418.519 1.856 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)OC(C)(C)C1 2174787767 XVIINTYOPNFJKE-UONOGXRCSA-N 402.517 1.081 30 10 HDEE C[C@H](NS(=O)(=O)CC1(C#N)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2174789741 USGJNEQFPOKLFR-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CN(Cc1c(Br)nnn1C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232245557 IVUOMCZKALZPRG-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE C[C@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243380810 FNKRXHIPXVJQPU-STQMWFEESA-N 402.222 1.927 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2247916782 DNASFHPQJXDIJP-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE C[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247928149 XUXHCEXJIFGNOH-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NCCc2cnn(Cc3ccccc3)c2)OC1(C)C 2255830085 ZXJYVRCZFMJSDD-UHFFFAOYSA-N 421.310 1.926 30 10 HDEE C[C@H](O)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267358102 ZQQKFDIJZOYBGR-VIFPVBQESA-N 407.750 1.702 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)c2)OC1(C)C 2267718629 WANBUKCDNCURIR-MRXNPFEDSA-N 409.313 1.512 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282200692 OAVSBIPJCGCMNJ-RYUDHWBXSA-N 401.359 1.941 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(N4CC(F)C4)C3)c2)OC1(C)C 2282332780 GPQAPNCJIZMVNF-UHFFFAOYSA-N 402.322 1.074 30 10 HDEE C[C@H]1SCCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334621 DTLFNOXFKGZXRY-DGCLKSJQSA-N 401.363 1.282 30 10 HDEE C[C@H]1CNC[C@H](C)C1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345968 SGURBNOAQUGWTB-RYUDHWBXSA-N 400.375 1.570 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CN)C1 2282414685 WLGUYUSQKKBKLF-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]23CCOC[C@H]2C3)OC1(C)C 2282504269 MIPBRLOAPKLRCC-BDJLRTHQSA-N 400.331 1.041 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC([C@H](F)CO)C1 2282832087 JIHMZBCEAGXHJA-GFCCVEGCSA-N 405.322 1.307 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H](N)C2)OC1(C)C 2282838089 ZNUWHTXOZUUVHF-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CO 2282851272 ZQYVGOLXRVQFJN-YVEFUNNKSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2csc(=N)[nH]2)OC1(C)C 2282865986 BLOXTOFZXZPSJP-UHFFFAOYSA-N 415.371 1.536 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284392718 APQHRSNCNNSLOP-NSHDSACASA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)OC1(C)C 2284398695 ATPNBTRUMNFHNS-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404332 YIUKBZRTMBRJCQ-NSHDSACASA-N 403.331 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC(F)(F)C[C@@H]1C#N 2286065404 NWOIONNNFRYACG-NWDGAFQWSA-N 407.439 1.170 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCO[C@H](P(C)(C)=O)C2)OC1(C)C 2289240230 PVHFFCMIGSVELS-GFCCVEGCSA-N 400.246 1.864 30 10 HDEE CN(CC(F)(F)C(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2295352128 XMBAOMDMHAVMCB-UHFFFAOYSA-N 411.257 1.388 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccnc2)C1=C(O)c1ccc(F)cc1 2296924040 ODZIGACSOZZZTR-LJQANCHMSA-N 411.433 1.975 30 10 HDEE C[C@@H](C#CC(=O)N(C)Cc1nn(C)nc1Br)NC(=O)OC(C)(C)C 2302422456 CEUNILYJGIDYRQ-JTQLQIEISA-N 400.277 1.453 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367786435 ICMOBTXBTIYLSC-RBSFLKMASA-N 401.525 1.779 30 10 HDEE Cc1scc(C(=O)NCCCNS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369538753 UVLRMHXFBWYMTC-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](C(=O)O)C[C@H](P(C)(C)=O)C1)C(=O)OC(C)(C)C 2370208263 UOYMXYJWFFPPMN-KBPBESRZSA-N 400.412 1.781 30 10 HDEE CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445509 GWKLYIKXGGMHCB-HXUWFJFHSA-N 412.515 1.694 30 10 HDEE Cn1nc(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)c2ccccc2c1=O 16150932 SBWTWLWRXNJADD-OAQYLSRUSA-N 401.470 1.885 30 10 HDEE CCc1nnc(NC(=O)CSc2nnc(N/N=C/c3ccc(C)cc3)n2N)s1 20917388 RVNTXRIUNDYYDE-QGMBQPNBSA-N 417.524 1.891 30 10 HDEE CC(=O)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O 30690802 IRCLZBUBOWPFCH-ONJZCGHCSA-N 411.410 1.265 30 10 HDEE biogenic,in-man CN(C/C(N)=N/O)S(=O)(=O)c1cc(Br)ccc1Br 45061854 PAULLJHUGMIJLV-UHFFFAOYSA-N 401.080 1.579 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)NCc1ccc2c(c1)OCO2 59015934 RORWUKJDFVBAFJ-ZVBGSRNCSA-N 411.447 1.783 30 10 HDEE NC(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 96348078 PFPCJPFKLJKWGG-UHFFFAOYSA-N 411.483 1.352 30 10 HDEE Cc1nn(-c2ccccc2)c(COC(=O)Cn2cnc3c(cnn3C)c2=O)c1C#N 105518311 GRFVGHJGHWKWOC-UHFFFAOYSA-N 403.402 1.239 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 111017628 KYYYIEQOOPEFCA-MRXNPFEDSA-N 410.430 1.197 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2ncc(C#N)cc2B2OC(C)(C)C(C)(C)O2)C1 379482264 ZTIYUAREMCMAOG-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 409499022 ITEQNCHFCXVTNS-JKSUJKDBSA-N 410.540 1.846 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CCO1 410149598 WTCBSRQJJJJMAN-LSDHHAIUSA-N 405.398 1.548 30 10 HDEE CNC(=O)C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 431091173 PKGJJIWPROVVDS-NVXWUHKLSA-N 407.478 1.446 30 10 HDEE CCOc1ccc(NC(=O)c2cc(C#N)cn2C)cc1S(=O)(=O)N1CCOCC1 433495361 FCUJWXIABVHOQU-UHFFFAOYSA-N 418.475 1.569 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 440383826 NXPVNCWJKIGAPD-CQSZACIVSA-N 401.488 1.018 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)n1 443112975 BKMKCQADQBZAMP-UHFFFAOYSA-N 400.527 2.437 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 469928393 PBZLUQKYJJANHA-LJQANCHMSA-N 421.563 1.868 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482363805 POJSVLVUJZWXSJ-TZMCWYRMSA-N 403.508 1.323 30 10 HDEE Cc1ccc([C@H](CN2CCOCC2)NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489073618 ASQPAUYUAAUSDZ-FQEVSTJZSA-N 400.504 1.922 30 10 HDEE C=CCc1cc(CNS(=O)(=O)C2CCS(=O)(=O)CC2)cc(OC)c1OC 507992123 NIBKYULGKYWWFJ-UHFFFAOYSA-N 403.522 1.429 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cc1 537851359 JUJPYMYNPYYHTQ-LJQANCHMSA-N 408.502 1.929 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)CC1 539456289 OWRPFQKSTQGKNT-XJKSGUPXSA-N 402.442 1.456 30 10 HDEE C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)n1cnc(C#N)n1 539503541 DHHXQHBGYVDMRU-LLVKDONJSA-N 424.870 1.024 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)c3cc(C#N)c(SC)nc3O)C2)nc1 544238537 JRBWQCRFCBXCJB-UHFFFAOYSA-N 413.459 1.571 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(C(=O)c4ccco4)CC3)CC2)n1 546923699 LQPQOCCVVOUMJB-UHFFFAOYSA-N 408.462 1.683 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)n1 554016583 JPAXXZJTTIBEEI-UHFFFAOYSA-N 409.368 1.645 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3nnc(CO)c3C2)n(Cc2ccco2)c1C 559638486 DONSHWBYIFBXDD-UHFFFAOYSA-N 409.450 1.156 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)CC1 604195002 ALLTXFJAFGTFFM-INIZCTEOSA-N 419.913 1.075 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 608782641 IZCQQSDKEJTSNN-HNNXBMFYSA-N 413.503 1.798 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)NC2(C#N)CCCCC2)CC1 609040783 ZIMKOIGXIGZLDQ-UHFFFAOYSA-N 419.551 1.059 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(CCC(=O)OC)s2)c1 609888324 CWXINWGFJKOZDG-UHFFFAOYSA-N 410.477 1.360 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(=O)(=O)NC)s3)cc2C1=O 641877474 OMNBBESHNZVQAU-UHFFFAOYSA-N 419.484 1.368 30 10 HDEE C[C@@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 686165690 FANIYLSHTISTAB-PBFPGSCMSA-N 405.476 1.706 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2c(C)nn(C)c2C)cn1 726109887 DOZRTEVVFYCXBR-INIZCTEOSA-N 417.539 1.564 30 10 HDEE C[C@H]1Oc2ccc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)cc2NC1=O 727977227 UWVPFMZFKOFBCJ-IPQOISQHSA-N 418.409 1.928 30 10 HDEE C#CCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@@H]1CCS(=O)(=O)C1 729331611 DMVGPRNMEVYTHE-OAHLLOKOSA-N 406.485 1.145 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665078 WWAIENHDRFEEHC-WMZOPIPTSA-N 416.547 1.745 30 10 HDEE CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732708171 OZPKCSGKUWBINA-HNNXBMFYSA-N 420.897 1.893 30 10 HDEE CCO[C@H](C)c1nc(CN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cs1 742736354 OVQZCPBTBHQKCX-GFCCVEGCSA-N 422.532 1.938 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 754190037 FWGXACSCMLGSIP-FOCLMDBBSA-N 424.379 1.763 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 758630885 PVGVTTFDHLBTJC-DLBZAZTESA-N 403.545 1.611 30 10 HDEE COc1ccc(CNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)cc1C#N 760795863 SAOOZBKUYOTDBS-UHFFFAOYSA-N 404.448 1.095 30 10 HDEE C#CCN(C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774048292 LMHNJNVHSWMBGM-QFBILLFUSA-N 405.520 1.734 30 10 HDEE CN(Cc1ccccc1)C(=O)[C@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 787069649 AQQPRWKHWGUZPV-QGZVFWFLSA-N 410.474 1.951 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NS(C)(=O)=O)cc2)n1 788614644 SJIFBOUXFPWEHZ-UHFFFAOYSA-N 405.480 1.568 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC1(C#N)CCC1 790044528 ZDNNCFFFZNEHDQ-UHFFFAOYSA-N 406.508 1.417 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 790687076 XOHWOMYADLYHRP-QFIPXVFZSA-N 407.426 1.894 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 791718667 YHPHCFISBXJZLX-VLIAUNLRSA-N 411.499 1.468 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@H]1CCC(=O)NC1=O 798594501 CELXDZUEYZYFET-NSHDSACASA-N 411.208 1.447 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOC)CC1 802424358 KTYKULPCPXNJDD-UHFFFAOYSA-N 424.505 1.762 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)c1 803847429 FECUQXQBZDNPRS-INIZCTEOSA-N 415.402 1.593 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 810515826 VWEPUIMUKRURSU-BBRMVZONSA-N 418.473 1.590 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C#N 812103321 LPDZWTFCUISIHX-GJZGRUSLSA-N 408.503 1.829 30 10 HDEE C=CC[C@]1(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 816814271 MOLOSDZDDCOYBJ-DNVCBOLYSA-N 415.556 1.825 30 10 HDEE Cn1cc(-c2noc(CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2)nn1 904815743 YAKHHRMRKFCOFL-UHFFFAOYSA-N 401.452 1.317 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)Cc2ccccc2C#N)NC(C)=O)cc1 916178476 ZLZMBTNWIBDNTK-LJQANCHMSA-N 415.471 1.780 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc2c1OCCO2 916263053 FMQYCXJGQSTMLV-UHFFFAOYSA-N 407.404 1.995 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192983 TZOKOHRNUNULQK-IERDGZPVSA-N 423.558 1.440 30 10 HDEE COc1ccc(C(C)=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 1084145461 FNHUGKIYIUTVFS-UHFFFAOYSA-N 415.479 1.838 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)cc1 1116380223 KZOFXCSCVDUWGA-VQTJNVASSA-N 415.490 1.912 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1 1132452652 VLFFPZDUEWGQRU-UHFFFAOYSA-N 407.492 1.745 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC[C@H]3CCCS3(=O)=O)CC2=O)cc1Cl 1133181082 WRMHLRRFDBBQBY-DZGCQCFKSA-N 409.895 1.648 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)cc1 1135836387 LMARECNUHJBJHO-UXHICEINSA-N 406.490 1.022 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@](C)=O)CC1 1136900231 TZNQMVBPRATXHM-PTFIGZPYSA-N 407.964 1.545 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccnc1Br 1137537880 YXXDKKQFKDMLMC-LBPRGKRZSA-N 401.268 1.786 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)CC1 1144027601 ONMODYRAIFKSIJ-AWEZNQCLSA-N 411.428 1.063 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CC2)cn1 1154223572 KGAJMHQNUOKLPB-HXUWFJFHSA-N 404.474 1.758 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1 1156667538 CAHLTIJDGFILRV-UHFFFAOYSA-N 400.479 1.461 30 10 HDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1noc(C(F)F)n1 1161195432 MOKLLHBZAYXNNN-VIFPVBQESA-N 413.406 1.703 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)c1 1171782133 HTRPXBSUKCRKAJ-OAHLLOKOSA-N 400.456 1.915 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccc(F)cc3Br)C2)c(=O)nc1O 1180990201 OTPCVRCJUBNNJC-UHFFFAOYSA-N 423.198 1.184 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1nc(C#N)c(Cl)s1 1186740324 XGPXEAZDIIVRGR-UHFFFAOYSA-N 401.857 1.991 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1194088536 SMGAIRGOAUWQRE-VIFPVBQESA-N 410.261 1.980 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(OCCS(C)(=O)=O)cc1 1207605252 CEIQFAHIDWWINK-UHFFFAOYSA-N 410.492 1.919 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 1213680566 UQLWLUGMKLLLPK-LBPRGKRZSA-N 410.439 1.356 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 1220901633 FZLMOMBTNZUZEF-INIZCTEOSA-N 402.495 1.793 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)C1 1255362694 GLRVBIZPLPQZET-HKUYNNGSSA-N 418.563 1.712 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nn1 1264228472 PLHPTBQEZNNXED-UHFFFAOYSA-N 409.443 1.267 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc([N+](=O)[O-])cc(I)c1C 1275550181 YTQYVOCJEQCRKD-SNVBAGLBSA-N 400.172 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1286303783 SPIKOLGSKIYCBS-HRCADAONSA-N 417.535 1.779 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286347889 RHCZQKUBAAOISI-QGZVFWFLSA-N 410.453 1.635 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1286359995 AYXXTLLNJGMBMY-JKSUJKDBSA-N 404.540 1.483 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388985 DJILIHPATDECGJ-ROUUACIJSA-N 407.584 1.759 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCCN1CCC(O)CC1 1286406248 UEQPAAJEZVNICY-UHFFFAOYSA-N 407.518 1.873 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1286447861 OBNUTRJDDRWPRC-MRXNPFEDSA-N 419.526 1.893 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2CC)CC1 1286470683 BGKDKVWRFGKGBT-BZSNNMDCSA-N 422.599 1.470 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCCC)CC1 1286483668 SVSGLAFWGQQILA-UHFFFAOYSA-N 419.533 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1286491511 VCYHKHPMBYCVEQ-XMSQKQJNSA-N 415.538 1.535 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1286619412 AHQDCNVBRBQHPQ-UKRRQHHQSA-N 417.963 1.894 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1286703607 OZUSGRGYQKMFIV-UHFFFAOYSA-N 423.521 1.724 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C 1286760177 KNLUDGVDTOGULD-FOIQADDNSA-N 417.535 1.988 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1288406793 HNPRNQSAQJBREK-UHFFFAOYSA-N 419.507 1.389 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1)N(C)C 1288606479 DSIJUAZYSUYHJJ-YJBOKZPZSA-N 416.551 1.780 30 10 HDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1295069831 JMKIEMCKSKCAKM-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)nn(CC(=O)OC)c1C 1295908274 RABUAFRRRWVJEA-MRXNPFEDSA-N 406.483 1.596 30 10 HDEE CN1CCN(C2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)CC1 1297228760 FJJUAPCVSJVAIE-UHFFFAOYSA-N 418.339 1.215 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCOCCS(C)(=O)=O 1300313484 JEKBNLUIQWLCTI-OAHLLOKOSA-N 408.499 1.527 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1300323276 YKRJMYWBKOYKNY-AWEZNQCLSA-N 408.437 1.996 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H](C)C1 1300519881 CNCZYNBMGZHBBK-ROUUACIJSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1300580446 CVFHQMAQKQVMCW-GOSISDBHSA-N 418.563 1.992 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1300603283 YIMVADLEPOOBHJ-HNNXBMFYSA-N 405.524 1.795 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1NC(=O)CC1(C)C 1300655400 WJTOUZISIPZUEW-HNNXBMFYSA-N 416.913 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)C(C)(C)C)CC1 1300693279 WGNXUEHLOVZZQT-UHFFFAOYSA-N 416.551 1.309 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(CC)n1 1300780537 SFKSIQFEQQXOHG-FZKQIMNGSA-N 422.580 1.948 30 10 HDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1301089457 VGPIOKMAVUHKOL-UHFFFAOYSA-N 411.506 1.915 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2ccccc2-n2ccnc21)c1cc[nH]n1 1301117756 VFNAISREZDXZNW-INIZCTEOSA-N 422.445 1.683 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1 1301501301 UXXZSXVNROWTMZ-MRXNPFEDSA-N 409.556 1.355 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@H]1CCOC1 1304853714 PGCNKCXWKQSRLH-LJQANCHMSA-N 411.510 1.623 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1313990009 FRXBETMYBNIZOW-UHFFFAOYSA-N 408.466 1.044 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1315558870 KTKUZVPNSJPPLT-QKLQHJQFSA-N 401.442 1.936 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358967368 JCJJIBAVASXPKP-IAGOWNOFSA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1358980673 FVCNRBQAVMHESD-OAHLLOKOSA-N 403.533 1.141 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCC(=O)N(C)C)CC1 1359038018 HOAKIWTVVHYYAE-UHFFFAOYSA-N 424.549 1.305 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359133434 RSHJYLGBMCOVFO-QZTJIDSGSA-N 419.526 1.202 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCC)CC1 1359158891 HMCKGBDCAKCOIK-IRXDYDNUSA-N 410.588 1.919 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CC1 1359159281 RUNQISWDORXPRS-OAHLLOKOSA-N 414.601 1.094 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC(C)(C)C1 1359304857 LQRXXIWNWWXCKU-UHFFFAOYSA-N 415.494 1.783 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)(F)C2)nnc1[C@@]1(OCC)CCOC1 1359305751 LUOFHTRMOPGDLO-GOSISDBHSA-N 413.469 1.714 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1359328195 WMBPWYOLHDTUDJ-CQSZACIVSA-N 413.544 1.633 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1359470852 GYERXTCLEUQBBH-INIZCTEOSA-N 419.493 1.611 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359661171 DYGBQJDTDPDBSX-GQIGUUNPSA-N 419.505 1.028 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nn(C)cc2C#N)cc1Br 1435358506 CVVHMTNYCYVJDA-UHFFFAOYSA-N 412.269 1.557 30 10 HDEE CCN(C(=O)Cc1ccc(C#N)nc1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 1435620446 MUSIEXNTWCNTFO-UHFFFAOYSA-N 406.490 1.608 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1442881546 PVSNTUBYUFIBHF-JOCHJYFZSA-N 414.506 1.969 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c1 1443338131 CEUPYXUEHHEHNL-UHFFFAOYSA-N 402.476 1.133 30 10 HDEE N#Cc1cc(NC(=O)c2ccc(S(N)(=O)=O)cc2F)ccc1N1CCC(O)CC1 1446019572 ALLGXPKTMHCYLH-UHFFFAOYSA-N 418.450 1.558 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C1(c2ccc(C#N)cc2)CC1 1451293699 ULKPOXCLGGMOFH-UHFFFAOYSA-N 417.462 1.914 30 10 HDEE N#CCCN1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1454907052 LIKDOADMCHNWKN-UHFFFAOYSA-N 417.535 1.343 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1455584181 NZLBVTXWHRZONC-OAHLLOKOSA-N 405.398 1.184 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1457929366 VWAIJRBHSWGJCA-IBGZPJMESA-N 417.487 1.427 30 10 HDEE O=C(CCCS(=O)(=O)N1CCCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1457998922 FLCGAHMWYUAICT-UHFFFAOYSA-N 423.491 1.096 30 10 HDEE C=CCn1cc(C(=O)Nc2ccccc2C(=O)NCCNC(=O)OC(C)(C)C)nn1 1459593755 CYOMTFKZYHXGMX-UHFFFAOYSA-N 414.466 1.971 30 10 HDEE N#Cc1ccc(OC(=O)[C@]2(F)CCS(=O)(=O)C2)c(I)c1 1459655514 YZISTLFVWQOABE-LBPRGKRZSA-N 409.176 1.595 30 10 HDEE Cn1c(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc2ccc(Br)cc21 1460833227 MTUAURLYFXRTSP-ZBEGNZNMSA-N 409.309 1.706 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN(C)C(=O)c1ccc(Br)s1 1462273632 VBVOFMAQGLDORZ-UHFFFAOYSA-N 402.270 1.498 30 10 HDEE C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)CO1 1462814531 CUQHYYFBCNRCKK-OGWOLHLISA-N 407.492 1.335 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1OCCOCC 1463858151 GVBWCLVYHULIBK-CQSZACIVSA-N 418.309 1.887 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 1463877462 BFMJEFJLQATZFE-UHFFFAOYSA-N 403.504 1.457 30 10 HDEE CN(CC(=O)NCc1ccco1)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1464856376 HYSFSYWFODVITJ-AWEZNQCLSA-N 414.849 1.932 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1470411030 ULQTVPUWKYKHEP-GFCCVEGCSA-N 417.325 1.900 30 10 HDEE C#CCCN(CCOC)C(=O)CNC(=O)c1ccccc1I 1470462648 VYHHHUWVPLDQJW-UHFFFAOYSA-N 414.243 1.519 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 1471488575 ZKVGTYUTYAMCRQ-MSOLQXFVSA-N 415.494 1.957 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CC(F)(F)C(F)F)CC2)c1 1473168827 RUUGHGMASOYQPI-UHFFFAOYSA-N 400.376 1.834 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCC1(F)F 1473684158 HQCRSMCECFMCPO-HOTGVXAUSA-N 400.470 1.199 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(Cc1cc(C#N)ccc1Br)C2 1473872009 DLPNBWWJEGDJNP-HNNXBMFYSA-N 403.284 1.693 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1494658273 DXKHMXAYCZYLLV-OPAMFIHVSA-N 424.505 1.448 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1503810112 BOQIQGDGCDUPTN-QGZVFWFLSA-N 409.494 1.305 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1505146268 SXOUADPCNDHAKH-GOSISDBHSA-N 414.535 1.536 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1507602054 LPZYQDPRFSPWLX-HNNXBMFYSA-N 423.514 1.365 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1507721280 RGTQGPAGIHADFF-OAQYLSRUSA-N 403.534 1.912 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1507783266 UPOSBAMGEYMXND-WCQYABFASA-N 406.288 1.302 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1508012822 JYEXDCKCCMCZIZ-INIZCTEOSA-N 407.540 1.517 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508066935 JDGZPBZGNDXKHU-BEFAXECRSA-N 404.471 1.774 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cnnn2)C1 1508115131 ICDAFMNCSFBVTK-HNNXBMFYSA-N 415.889 1.852 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1508322587 QVDCMTPFWZNAHY-UGKGYDQZSA-N 424.505 1.727 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1509665918 OJOJAPZUFWLKNU-UHFFFAOYSA-N 423.521 1.530 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1518731275 UIPDSQBCDBRRNW-UTKZUKDTSA-N 410.478 1.195 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1518913174 JGKZQZLIXHGEGZ-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOC[C@@H]1C 1519448300 GRJQJTNCCSVQHH-TXTZMMAHSA-N 405.499 1.403 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCOC1 1521815090 JPVRYFUBCZRWLG-NRFANRHFSA-N 413.499 1.993 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4cc(C#N)ccc43)C2=O)cc1 1525149333 GOKOGRYYWBLZAL-QFIPXVFZSA-N 404.426 1.923 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3nn(C)c(C)c3C#N)C2)cc1 1526702958 WLYZAFGWEAUQRC-OAHLLOKOSA-N 401.492 1.948 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1Cc2ccc(C#N)cc2C1 1530403248 HYRPYHBNOWWUKI-UHFFFAOYSA-N 418.496 1.533 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Br 1533244021 VTBGMALYWQEMKN-HUUCEWRRSA-N 407.268 1.257 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539205347 GZDYDUWRFLMRFA-MOPGFXCFSA-N 407.584 1.724 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1539445623 BFNASNTYBXYJRQ-AZUAARDMSA-N 422.533 1.760 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1539446649 HUBUHNQAQSBLJD-UHFFFAOYSA-N 414.598 1.926 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539516731 BEBGMNDGFIOMDZ-LVYZTWJOSA-N 424.592 1.144 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCSC2)C1 1540874448 HDBXKZFPUTWUGF-FQEVSTJZSA-N 415.567 1.775 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCNS(C)(=O)=O)C1 1540894057 PPNSTVAOWNEQJQ-SFHVURJKSA-N 419.551 1.508 30 10 HDEE CC(C)(C)n1ncnc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1541195214 GJRHGECJPILBHK-OAHLLOKOSA-N 411.514 1.754 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1541804879 FLPXQGWUMDTSOE-GOSISDBHSA-N 422.537 1.977 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1541991166 UZCRGBDTLKFXKF-SIFCLUCFSA-N 415.498 1.290 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)C#CC3CC3)CC2)cc1OC 1543565821 VMZRUSHOJRFQPV-UHFFFAOYSA-N 406.504 1.634 30 10 HDEE CC[C@]1(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1546082844 DRWOHFHVFQYODH-FZKQIMNGSA-N 422.511 1.407 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1547312352 XCRQXSLSAAVXMV-ZWKOTPCHSA-N 421.505 1.352 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CCO1 1555993027 GTKIRKHKRXNKSN-ZBFHGGJFSA-N 400.870 1.854 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCCOCC1 1556023197 WAEZNTUHMHCWAI-ZPHPHTNESA-N 409.450 1.093 30 10 HDEE CC(C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1556864383 KDILFBVNBOEPLH-ZGOJQLDESA-N 404.511 1.852 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1557596428 JQRORBRJRZPWKO-UHFFFAOYSA-N 401.467 1.300 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2nc(C)cc(O)n2)C1 1558349513 IUPMPIDZBJHIBA-GJZGRUSLSA-N 403.483 1.492 30 10 HDEE COc1cc(OC)c(C2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c(OC)c1 1559243436 BQEDJKZHYNLRSD-UHFFFAOYSA-N 400.435 1.355 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@](O)(CN(C)C)C2)n(Cc2ccco2)c1C 1559945647 AEVSHWQNFQGWMT-QFIPXVFZSA-N 413.522 1.945 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](N3CCOC4(CCS(=O)(=O)CC4)C3)C2=O)cc1 1560230255 SLBOHMPUZUDFTG-GOSISDBHSA-N 403.504 1.333 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)CS(C)(=O)=O)cc1 1562197295 HXWDIKGAXHUHKS-UHFFFAOYSA-N 417.553 1.685 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2cccc(F)c2)c1 1566328350 SGUNLEUXOHCITI-QGZVFWFLSA-N 405.447 1.792 30 10 HDEE COc1ccc(CN2CC[C@@H]2C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1566409505 GIYJYZBEJLMMSG-OXJNMPFZSA-N 406.490 1.668 30 10 HDEE Cc1c(C#N)c(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)nn1C 1584807831 PSTZNKWRIOXOKM-UHFFFAOYSA-N 401.224 1.711 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1585296910 NRPISNIJIOYFSB-NSERTSAKSA-N 406.483 1.568 30 10 HDEE CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660387 LOUBSRXANONUCH-YZVOILCLSA-N 413.540 1.713 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)c1 1587213088 KWMBWVNFUZIELX-YJBOKZPZSA-N 407.488 1.572 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1593654582 DEGMQZOSPJYUAA-UHFFFAOYSA-N 403.556 1.468 30 10 HDEE C=CCC(C)(C)Cn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1594456139 YYEGRPPLVRZECV-QGZVFWFLSA-N 411.572 1.820 30 10 HDEE CC(C)(O)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1594545694 CCJFBFFTHGZHOZ-KRWDZBQOSA-N 405.520 1.578 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N(C)C)C1CC1 1595065058 HVJLETQZZANPDT-UHFFFAOYSA-N 407.544 1.186 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1595476096 HVHUHSVIGOXZBM-CABCVRRESA-N 424.571 1.207 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1595602284 IWJPHTPGZKYHPL-JXFKEZNVSA-N 407.515 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1595766626 UYOKJGWHYUZZET-UHFFFAOYSA-N 423.514 1.662 30 10 HDEE CC(=O)NC1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1596507226 KWLAPFJSIXBWBU-UHFFFAOYSA-N 405.462 1.882 30 10 HDEE CN(C)c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(C(F)(F)F)c1 1611165283 NADUNQFTZRPJHJ-BBRMVZONSA-N 401.410 1.782 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1611243768 AYSXBJGVTGINSZ-UKRRQHHQSA-N 405.455 1.325 30 10 HDEE C=CCN(C(=O)C1=C(C)N(C)c2nnnn2C1)[C@H](Cc1ccccc1)C(=O)OCC 1616305874 QJLOGHSUCAVYAV-GOSISDBHSA-N 410.478 1.586 30 10 HDEE C[C@@H](C(=O)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1)n1cnc(C#N)n1 1617127281 RONHOMFKYFYENU-AWEZNQCLSA-N 416.463 1.358 30 10 HDEE Cc1c(S(N)(=O)=O)sc(C(=O)NCc2ccc(C(=O)NO)cc2)c1Cl 1618008616 YXLUVFSHYFTTNC-UHFFFAOYSA-N 403.869 1.406 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1618125735 AZNAWMZYFPSPRK-KRWDZBQOSA-N 422.493 1.464 30 10 HDEE N#C[C@@]1(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)C[C@H]2CC[C@H]1C2 1618368588 JGYZBNKLOQRKPJ-JLMWRMLUSA-N 402.539 1.393 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)O2)C1 1620610924 GXDYQZVUXMRYOH-DAYGRLMNSA-N 411.524 1.025 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 1622062276 VKUBIHZNFGSGMP-UHFFFAOYSA-N 416.883 1.717 30 10 HDEE CC(C)(C)OC(=O)COCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1624277045 HFSRFSSULBGNEV-UHFFFAOYSA-N 413.478 1.733 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CNc2ccc(C#N)cc2)cc1 1627145081 CMNAZIWBUBIHRV-OAHLLOKOSA-N 424.457 1.917 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(OCC(F)(F)C(F)F)nc2)c(=O)nc1O 1627360793 SHVGLUCTSDGCTF-UHFFFAOYSA-N 415.303 1.524 30 10 HDEE C#C[C@@](C)(CC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1627870815 PETYLJNLZBGGHM-IBGZPJMESA-N 409.483 1.210 30 10 HDEE CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1630030311 BPCMZYKDUZIHMX-UHFFFAOYSA-N 406.446 1.734 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1630974939 MZTHWTCURVSHSH-GUTXKFCHSA-N 409.508 1.598 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Cn3ccnn3)C2)s1 1631138398 NOJJBXLOXVUOJT-AWEZNQCLSA-N 409.537 1.285 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1Br 1631230838 ACXURNULQAKSJR-UHFFFAOYSA-N 414.281 1.051 30 10 HDEE CC(C)COC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1632044586 PRZVPXAXWPIVDY-UHFFFAOYSA-N 411.455 1.673 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CCN1C1CC1 1632095705 ZUQWBFGROUOJIE-CYBMUJFWSA-N 416.825 1.952 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CNS(C)(=O)=O)c1 1632676143 ZXJBVHCMCCBNHP-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H](c2ccccc2)[C@H](O)c2ccccc2)c(=O)nc1O 1636966806 FXDYWOIDTZJJDP-VQTJNVASSA-N 404.426 1.802 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1637247420 BZMFPHYLDCQOPP-RTBURBONSA-N 413.499 1.473 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)C(=O)OC 1637697497 UUEZBWJGKJDCQY-GJZGRUSLSA-N 407.264 1.621 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)C2)nc1 1638906407 RUFRQVJJSKBTRH-SQNIBIBYSA-N 409.490 1.921 30 10 HDEE Cc1cc(OCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1640636727 MQDHAGIRKZGUOT-UHFFFAOYSA-N 419.235 1.354 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)CCCN1C(=O)OC(C)(C)C 1641797821 QFHNZHGBBYXHKK-GCJKJVERSA-N 405.539 1.837 30 10 HDEE CCC1(N(C)C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1643102224 DIJZRPLVSSTJIK-UHFFFAOYSA-N 406.552 1.838 30 10 HDEE COC(=O)CCN1CCC[C@H](N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 1644823525 PRSLEQVSSAZEJM-INIZCTEOSA-N 401.467 1.100 30 10 HDEE Cn1nccc1CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1648844875 HONGSWFGPXLORR-UHFFFAOYSA-N 410.497 1.992 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 1651560437 DEASKPOQUQNVIB-OUKQBFOZSA-N 407.470 1.625 30 10 HDEE C#CCOc1ccc(CNC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 1652509514 PKTUMLGQCKVTFX-UHFFFAOYSA-N 402.520 1.981 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)[C@@H]2CCN3CCO[C@H]2C3)n(Cc2ccco2)c1C 1653688068 XTYAQRCRTPHSAS-UXHICEINSA-N 411.506 1.961 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 1653917255 DOTLJSHUIXQIDA-XQQFMLRXSA-N 409.936 1.596 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)c1 1657274957 QRXDABNMBQWFQB-LJQANCHMSA-N 404.492 1.320 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1672547804 HXCVMAHSYIEVBD-MJGOQNOKSA-N 414.506 1.202 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)n1 1672935017 NSOHPHOHOPUAGZ-UHFFFAOYSA-N 419.507 1.461 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1674234242 XGXLROHLPPKDTC-KRWDZBQOSA-N 408.524 1.173 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 1675497153 XMDWLQHRMCKYNX-RBUKOAKNSA-N 418.519 1.389 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nn(C)cc1Br 1681261090 QAWFHTWWQGSJOV-NSHDSACASA-N 419.287 1.265 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCO2)cn1 1681434444 OFOHSORKJWFRNO-YYFZDKIDSA-N 418.498 1.484 30 10 HDEE COc1cc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)ccc1C#N 1682153981 NQLAUFMWUHCZJH-HNNXBMFYSA-N 401.444 1.601 30 10 HDEE CCOC(=O)c1nnn(C2CCN(C(=O)NCC#CCN(C)C)CC2)c1C(F)F 1685776483 SEQPRPLFPQHPGU-UHFFFAOYSA-N 412.441 1.304 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC(C)C)CC1 1688928514 JAISQMPNFJNMNU-ZJKGHYPUSA-N 401.551 1.402 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1689823919 COXGUPQAERSBRG-CQSZACIVSA-N 413.469 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1689835162 HHQCZFXHWJGCEF-MGPUTAFESA-N 420.535 1.594 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689844912 LECWSRXEZXTIMH-HNNXBMFYSA-N 417.473 1.061 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1689877058 PGVBEVRHHYVMME-JKSUJKDBSA-N 411.572 1.943 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCCS1(=O)=O 1689974935 DBTDWGDWXXSGQI-SFHVURJKSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689988837 XFXLBPIFSFUONJ-ROUUACIJSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cnn(C)c1 1690056309 NAEMMXVMDRSZKO-PMACEKPBSA-N 410.522 1.831 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690122696 ZVBAXHSNBBLVQA-OALUTQOASA-N 415.586 1.351 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690172610 KAWXLENZICBYDV-RTBURBONSA-N 419.595 1.697 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690674192 SEYNVJVEBCLEES-MRXNPFEDSA-N 416.551 1.728 30 10 HDEE Cc1nc(CCn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1693370383 KEXXWVFFZIQBKI-IFXJQAMLSA-N 402.503 1.726 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1695046568 CLUPIXLJSHTSED-HOTGVXAUSA-N 403.531 1.805 30 10 HDEE CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1695551917 METOVBXHAHWLRJ-GJZGRUSLSA-N 419.507 1.698 30 10 HDEE CCNC(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1695920440 FSVIVSQXLAOGKZ-KRWDZBQOSA-N 409.494 1.299 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1=O 1696886956 XFSWTZLNGSABIG-OPAMFIHVSA-N 421.505 1.387 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C(C)C 1698241575 KMJSMDVGIMZHBG-IRXDYDNUSA-N 418.542 1.904 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C2CC2)CCO1 1698492297 AYIKTIWZWJAKDD-AWEZNQCLSA-N 400.870 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1705479911 QCHUCKIQSAYUBT-ZDUSSCGKSA-N 402.524 1.529 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1705559443 ARPMXDDUIVNWGK-LSWWBPAMSA-N 424.567 1.132 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@@H]1C 1705580087 DAMPROIRLQHARV-HKUYNNGSSA-N 402.502 1.753 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1705582491 CDCGMKCJRSYFEZ-IBGZPJMESA-N 412.515 1.470 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1705628921 SNYRDKKFOXYEDJ-KRWDZBQOSA-N 424.567 1.616 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1705638313 GJMZDHFACJKVJB-AOIWGVFYSA-N 400.527 1.046 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCCC2)C1 1705664377 NHWUQVUQAMQFSO-UHFFFAOYSA-N 403.552 1.916 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCSC2)C1 1705925786 UKEQYRQENISKSZ-OWCLPIDISA-N 412.581 1.715 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1705973352 HJVDQGDAVVHQJS-PKOBYXMFSA-N 409.494 1.251 30 10 HDEE CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1706058464 BXGNACBHQFCVFF-KRWDZBQOSA-N 411.485 1.787 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCCNS(C)(=O)=O)C1 1706934113 SCBMKOBTYDEXTD-GOSISDBHSA-N 422.580 2.000 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)cs1 1707753276 ONFKUBSCNOMDQO-UHFFFAOYSA-N 409.466 1.755 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1708234070 GUUABTQLXHEKLN-MRXNPFEDSA-N 413.478 1.495 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1709829792 BSZJGTFLFRIMOU-UHFFFAOYSA-N 409.494 1.435 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1711426374 SLHHQIIEIZCMIW-AWEZNQCLSA-N 412.450 1.416 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1ccnn1 1712641064 ARSBZRIQTDWZLX-ABSDTBQOSA-N 414.514 1.814 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1722274238 HLSTUPUGILGZBI-SFHVURJKSA-N 422.533 1.857 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722368427 RIZDDLVNRGXBNH-SJORKVTESA-N 424.567 1.299 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1722439384 ZWFSWHMDFYVDBX-UHFFFAOYSA-N 424.524 1.822 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCS(=O)(=O)c2ccccc2)CC1 1722444511 ZMJRUIDXPFRYFP-UHFFFAOYSA-N 415.519 1.026 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCSCC#C)CC1 1722446078 LZXRRJRLZGSKOF-UHFFFAOYSA-N 422.558 1.981 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722461868 IFNBDJDSTUXSHG-ZWKOTPCHSA-N 418.567 1.746 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722510594 SZWHEDULRLHVDG-NQIIRXRSSA-N 418.586 1.812 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1722529483 UFEQNGTVCOFCFK-CABCVRRESA-N 415.560 1.342 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCOCC2)CC1 1722579061 HWYQUOQSRGDGJO-KRWDZBQOSA-N 402.543 1.524 30 10 HDEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722620166 NZXXGUWRQCMYQZ-UHFFFAOYSA-N 419.551 1.947 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1722631092 COUDTEBITXXEDH-AWEZNQCLSA-N 405.524 1.884 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1722740708 RLGLCKYESGSZRS-MRXNPFEDSA-N 409.556 1.734 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722742910 KNBCKOLZORUEDE-FQEVSTJZSA-N 415.567 1.775 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1723878886 OEAVUZJLIAXWNT-FUHIMQAGSA-N 406.506 1.582 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H](F)COC)CCOC1 1728819968 ZIXAJYHVMHNYHM-XAUMDUMWSA-N 422.505 1.091 30 10 HDEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1729157014 KOWJALHGYXUODS-CQSZACIVSA-N 405.528 1.871 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCS(C)(=O)=O 1730267146 AUMXPAUIQYDZQM-SFHVURJKSA-N 407.471 1.830 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)CCO1 1731187091 XJTGMHVUUIJPDO-DLBZAZTESA-N 414.422 1.388 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCOCCCO)C[C@H]1c1ccccc1 1731192941 XJIXIVXPVZLBBR-ZCNNSNEGSA-N 411.506 1.925 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740618901 CYIKDJVSDJMTOG-MJGOQNOKSA-N 414.531 1.998 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740623277 QTPREABALUAQQV-HZPDHXFCSA-N 414.491 1.055 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1740633800 TXQNYLQEUNTMNI-UHFFFAOYSA-N 402.458 1.138 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC1 1740645595 IQTHKKUTJVGZFF-UHFFFAOYSA-N 411.893 1.849 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCC1(C)C 1740990088 IFNBYDKHTWMCOQ-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1743263136 RZYQSIKLARVMHD-RMYFCYLKSA-N 409.450 1.092 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1748747413 HNXLNJAKDSXSGO-UHFFFAOYSA-N 413.482 1.271 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1748908177 VIMHLWBQNKFEKN-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn(CC)c2)CC1 1748977025 CDYYZTJJTVJOIV-KRWDZBQOSA-N 401.515 1.022 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CCCC 1749067358 RFHCIULWOIBLKV-FXAWDEMLSA-N 407.584 1.904 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1749427272 OACSENZDEDVTBB-CVEARBPZSA-N 405.528 1.579 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(F)c1 1749668640 BXSHKNMCNHKSQK-HNNXBMFYSA-N 421.498 1.258 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1749677711 IMLZXLWTCFDXCM-SFHVURJKSA-N 410.478 1.505 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)COCCO1 1750133369 RTMOFOAQOANHSH-BBTUJRGHSA-N 419.526 1.938 30 10 HDEE CSCc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1750286120 AEHLTTYCDVDZEH-SJORKVTESA-N 412.519 1.869 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1760116894 KYLJPAAJWLMJAA-KGLIPLIRSA-N 407.471 1.251 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760187590 KHOQUOIHVAZTGG-RIFZZMRRSA-N 422.551 1.102 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC(C)C 1760198370 HBVCBNXQYNVGNW-UHFFFAOYSA-N 420.926 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CCC(C)C 1760205651 GYDAEETUVMLSHI-PXNSSMCTSA-N 406.552 1.440 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2)CC1 1760268990 UMGNCKTWVDXJGJ-IBGZPJMESA-N 420.517 1.552 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1760275262 TXDDEJIOUJAINP-LBPRGKRZSA-N 407.512 1.490 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760282007 UIGMIWIZRDGMTP-KRWDZBQOSA-N 413.551 1.573 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@](C)=O)CC2)CC1 1760381296 HJGLFNOLFHZWKV-NDEPHWFRSA-N 400.508 1.993 30 10 HDEE CC(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1761111588 DVNVHVUCDKKLSQ-HUUCEWRRSA-N 409.498 1.262 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)CC(=O)N1C 1763179372 UXRJSCVBHZLVHS-MRXNPFEDSA-N 412.494 1.558 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1766862777 VYMHFSUENWVORH-ZWKOTPCHSA-N 421.505 1.352 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1770580062 GTPMBWSYJUZDCY-VMUDFCTBSA-N 414.507 1.145 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCOCC2CCOCC2)CCO1 1771538455 COUJPNGEVNGABQ-QZTJIDSGSA-N 405.499 1.692 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)c1 1848839320 CMHLKGXEWICCRJ-UHFFFAOYSA-N 406.442 1.996 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CO2)nc1 1851780466 BBQVQYIVYDKTSN-HIFRSBDPSA-N 414.368 1.948 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(c3nc(O)c4c(n3)CCCC4)CC2)cc1 1852386925 VSBQPLPDYCYWQV-UHFFFAOYSA-N 421.505 1.876 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)OCC#Cc1ncc(C(F)(F)F)cc1Cl 1852915627 CWRUQYQJHKQBHB-CYBMUJFWSA-N 424.784 1.252 30 10 HDEE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1853053946 HPXNLUDKEMBFBF-IFXJQAMLSA-N 418.457 1.744 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)n1 1853233064 QOUBRNSNOYZXBE-UHFFFAOYSA-N 401.352 1.905 30 10 HDEE NC(=NOCCC(=O)N1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1ccncc1 1853559525 RPWVIFGWMYTZTL-UHFFFAOYSA-N 423.399 1.266 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)CCc2ncc(C)o2)C1=O)[C@@H]1CCN(C)C1=O 1854083059 YRKXYCJYAAGDJG-DLBZAZTESA-N 402.495 1.542 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1854314480 YRJXRUZDCYQCJR-YOEHRIQHSA-N 409.483 1.224 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C)CC2=O)[C@@H]1c1ccc(C#N)cc1 1854522114 YGGUWKMUHOCKPZ-OALUTQOASA-N 400.504 1.252 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1F 1854957033 UYIXBFGAMMKIHQ-WBVHZDCISA-N 402.470 1.885 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCC(F)(F)C3)C2)CC1 1855915423 JSEYCRBFNMCAJE-HZPDHXFCSA-N 417.460 1.886 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855984807 KHXKPGMAKUUYEF-ROUUACIJSA-N 401.486 1.977 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(OC(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1856107987 NTALCDDFALFLAY-UHFFFAOYSA-N 419.381 1.502 30 10 HDEE Cc1ccccc1OCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857054053 YWNJKAWJXCIEHA-QGZVFWFLSA-N 419.503 1.314 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(Cc3ccccc3)C[C@@]23CCOC3)CCC1=O 1857195900 KQHOISLKGYLZNE-NZQKXSOJSA-N 410.518 1.642 30 10 HDEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccn(CCC)c1=O 1861281213 KEYXLFLNQQATTA-KRWDZBQOSA-N 406.527 1.709 30 10 HDEE C=CCOc1cn(CCN2CCOCC2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870386563 UZFKLUJJRIIICF-UHFFFAOYSA-N 419.522 1.084 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618427 UFRGYSOVOALCEM-UHFFFAOYSA-N 413.526 1.124 30 10 HDEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593070 DGXNWASHFQRECC-CQSZACIVSA-N 416.482 1.006 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(C(F)(F)F)cc1 1874432452 GTKAYNZMOIHXNJ-AERZKKPOSA-N 400.386 1.393 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc1 1891243535 OKLDBTMJEFDHQT-UHFFFAOYSA-N 405.437 1.560 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)cc1 1891266510 XAWILPUMOFUDMN-UHFFFAOYSA-N 423.427 1.699 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@@]1(=O)CC[C@H](NC(=O)OC(C)(C)C)C1 1962321862 ZZJGXGFVHXHNMU-CHNSCGDPSA-N 417.347 1.990 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(OCc2ccccc2)S(=O)(=O)N2CC(C#N)C2)C1 1974703026 GZACEOWNBFPWHX-UHFFFAOYSA-N 422.507 1.740 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2060604596 GDJCBPLJMHYKNM-LLVKDONJSA-N 414.304 1.983 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CC(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174784795 RTLVPLHJPITKQJ-CBCUQQMYSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]2CCOC2)C1 2247805903 RBKYGCMYJFYFAM-HNNXBMFYSA-N 420.315 1.858 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826995 CQZFSNLRAOKTBJ-CHWSQXEVSA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247831436 ZLQSIZPPCRCXGU-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2255796163 MMUQMSXKMDWMDI-ZDUSSCGKSA-N 415.342 1.573 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2SCCS2)OC1(C)C 2267466531 CCEQILZFSBRKBK-UHFFFAOYSA-N 422.428 1.668 30 10 HDEE C[C@H]1C[C@H](N)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707150 LWHZUANWJJMQOQ-UWVGGRQHSA-N 406.766 1.811 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282319571 VQLFZTCEGAYFPO-VWLOTQADSA-N 423.387 1.789 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC1CC(O)C1 2282322389 LJGVFIWOPYUNHL-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCC[C@@H]3CO)c2)OC1(C)C 2282333836 UAHHNLIELLYHIM-QWHCGFSZSA-N 401.359 1.734 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282485623 LROIPZXVVZXQSR-SNVBAGLBSA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3CSC[C@H]3C2)OC1(C)C 2282490473 HQXLAQPBKXOIKE-VXGBXAGGSA-N 416.399 1.567 30 10 HDEE CN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502752 PJGZLQVDEHJNBI-UHFFFAOYSA-N 402.709 1.006 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC[C@H]3O)c(Cl)c2)OC1(C)C 2282507607 JXFBDXRICAVQTH-SMDDNHRTSA-N 401.721 1.688 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282507956 ONSOBCLNLMXQQU-TZMCWYRMSA-N 400.375 1.546 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1 2282582850 ZWGTXTYIPONHII-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@@H]3COC[C@@H]3O)c2Cl)OC1(C)C 2282647056 XHBQXFUPQHKUIG-PWSUYJOCSA-N 401.721 1.828 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1([S@](C)=O)CC1 2282834787 NDGIQBMVVFWGON-VWLOTQADSA-N 419.399 1.545 30 10 HDEE CS[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282849195 XRCPMMFDNIDPEQ-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@](C)(CO)C2)OC1(C)C 2282850765 SSKTUXSKQBDSBM-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855308 CAWXBLZTHZVPTP-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CCCNC(=O)[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858055 RFICYZYTVZHLLW-NSHDSACASA-N 402.347 1.240 30 10 HDEE C[C@H]1COC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282869450 CUPFDOBZLDGCKR-FZMZJTMJSA-N 401.721 1.952 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N(C)C 2282877367 QKNDETJEVQMQNW-JSGCOSHPSA-N 400.375 1.618 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC(=O)O)C(F)F)OC1(C)C 2284412269 TYEBQQKQCYVMDM-SECBINFHSA-N 411.257 1.434 30 10 HDEE C[C@H](CCC(=O)O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284413762 NHSMUVKFPSHNPQ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CCC[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414554 IMCWATFSBDNLID-NSHDSACASA-N 403.331 1.827 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4ccccc4O)n3C)n(C)c2=O)cc1 2328607878 MXHAJQARJRXUPP-UHFFFAOYSA-N 418.457 1.942 30 10 HDEE C#C[C@@H](C)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2336958921 HPNCCYJITXFQRC-QGZVFWFLSA-N 417.531 1.422 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2362766719 DRSXSBKGTZKYNL-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN(CCCNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2364845554 AFIFHBCWOUVSNI-UHFFFAOYSA-N 403.741 1.728 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CC2 2365203963 WFXULCVVMRIUHQ-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 2367808816 HCHQLRNFAAXBHP-QAPCUYQASA-N 402.557 1.553 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)Cc1nnn(C)n1 2377296622 ZTGQLABGAADOOH-UHFFFAOYSA-N 422.136 1.904 30 10 HDEE Cc1ccc(S(=O)(=O)N=C2NCN(CCOC(=O)Nc3ccccc3)CN2)cc1 20368259 AZPZWTWYHZLTHU-UHFFFAOYSA-N 417.491 1.698 30 10 HDEE Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20527790 JUSBWOXSUZFLOH-CAOOACKPSA-N 402.396 1.670 30 10 HDEE Cc1nnc(/N=C2/S/C(=C3\C(=O)N(CC(=O)O)c4ccccc43)C(=O)N2C)s1 39866158 CJSIYDJDPUJYAC-BUPGLXBZSA-N 415.456 1.882 30 10 HDEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)/N=C1\N=C(O)CN1 50222434 BBFGVNQUAXSNQD-LLVKDONJSA-N 413.297 1.743 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c(C)n1 102750952 CLLCIRNLWCRLED-GOBJLOIFSA-N 422.485 1.847 30 10 HDEE COc1cc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC 169905652 YZOVMAQCKAQJGO-CXUHLZMHSA-N 410.364 1.833 30 10 HDEE C[C@H](C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)n1cnc(C#N)n1 409631163 JDHILLNBGXJAGF-CQSZACIVSA-N 404.434 1.744 30 10 HDEE N#Cc1nc(N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)ccc1C(F)(F)F 409731272 JVVWOXHXDBMMRQ-AWEZNQCLSA-N 405.380 1.987 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCCCS2(=O)=O)CC1 446630409 FQBXIFURIBWXSR-OFLPRAFFSA-N 406.508 1.910 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2n[nH]c3c2CCCCC3)CC1 473392204 YBNSTUZEHRMHPR-UHFFFAOYSA-N 413.503 1.697 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2cnn(C)c2)CC1 483334214 AKZBOEWYCQDZPG-HXUWFJFHSA-N 414.485 1.278 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)C1=O 489574891 SRGRGPBNOVTPML-AWEZNQCLSA-N 420.472 1.194 30 10 HDEE COCc1nc([C@@H]2COCCN2C(=O)CCCOc2ccc(C#N)cc2OC)no1 501941691 CUVUGLCOFMQXLA-HNNXBMFYSA-N 416.434 1.855 30 10 HDEE COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 511055853 FJDKAYNOJNQFIQ-UHFFFAOYSA-N 416.459 1.016 30 10 HDEE CCOC(=O)CN(C(=O)CN1CCN(c2ncccc2C#N)CC1)c1ccccc1 514760161 ZRKYFWWHURYGOE-UHFFFAOYSA-N 407.474 1.672 30 10 HDEE CCc1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cs1 517988706 MFQICYNGBWUCFK-CQSZACIVSA-N 417.556 1.836 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)nc1 533545109 SBAYXGDTFUCXJV-HNNXBMFYSA-N 409.511 1.522 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541653040 SNODWBIKRGTPMM-CYBMUJFWSA-N 403.416 1.824 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)nc1 542463137 UTWJDWXSHWYEEH-OAQYLSRUSA-N 416.478 1.825 30 10 HDEE CCc1c(C(=O)Nc2cc(C#N)ccc2NC2CC2)cnc2c1c(=O)n(C)c(=O)n2C 552239057 DLQHWXSAMUJRHG-UHFFFAOYSA-N 418.457 1.893 30 10 HDEE C=CCN1C(=O)N(C[C@H]2CCCCN2S(C)(=O)=O)C(=O)[C@@H]1Cc1ccccc1 553156402 FKNCZENYMMETCP-MSOLQXFVSA-N 405.520 1.862 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)nc1 569181538 QXGHTHCEUBNBSR-INIZCTEOSA-N 411.527 1.911 30 10 HDEE Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ncn1 585475367 LAYLIYDEBLPKBR-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 610151263 HAFFSYSDRVUTGG-SFHVURJKSA-N 403.442 1.121 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)C1 619853353 HELUKGTTYBRWSE-QFBILLFUSA-N 409.429 1.542 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(F)cc2C(=O)OC)cc1 728991649 WYGNUXBMRFCINL-UHFFFAOYSA-N 405.403 1.881 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H](N2CCCC2)C1 730792835 DAJZUSUFXGVAAZ-MRXNPFEDSA-N 404.536 1.592 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 731213790 SKYFASSQXIYCCB-DZGCQCFKSA-N 418.437 1.885 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)ccc1OC 733228668 NMLCEUGVMTYDKQ-AWEZNQCLSA-N 410.434 1.136 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNCc1cc(Br)c2c(c1)OCCO2 733332843 DEAXDAGSHDIGLY-ICFOKQHNSA-N 408.252 1.836 30 10 HDEE COC(=O)[C@@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(C#N)cc1 740178131 INKLXZKZUSKBGX-IBBFCSCYSA-N 413.430 1.816 30 10 HDEE CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(N2CCCS2(=O)=O)cc1 741160226 VFYGNLYBQFEDIS-UHFFFAOYSA-N 408.505 1.710 30 10 HDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCN(c2ccccc2F)C1=O 746253377 KMIAFMFATPNXBN-RAJOGRCSSA-N 400.410 1.306 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(OC)c(C#N)c3)C2=O)cc1 746876144 BBLLGRVVSDFKBY-JOCHJYFZSA-N 422.441 1.659 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)ccc1Br 747250339 JJUBHOXDVSYSMQ-NSHDSACASA-N 422.322 1.269 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C)CC2)cn1 751924692 CWMNDGXZVLIIMT-HNNXBMFYSA-N 419.551 1.890 30 10 HDEE O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 752997521 CLDIMBGRIWJGSF-DVSFIDLUSA-N 418.494 1.953 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 754352722 XTVIIMVZIDOQEA-CRAIPNDOSA-N 423.535 1.946 30 10 HDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NCCNc1ncccc1C#N 761261822 QSVCQQBSBLIKTF-UHFFFAOYSA-N 415.475 1.701 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccn(C)c2)c1=O 763438237 VKDNYOCTLJYUSQ-UHFFFAOYSA-N 404.495 1.328 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 772854208 DODWTTDJFLDFHS-RUIRWZRLSA-N 406.483 1.759 30 10 HDEE Cc1cc(C(=O)NS(=O)(=O)CC(C)(C)C#N)ccc1NC(=O)C1=S=CC=C1 776144440 OTXDHANBOIESNN-UHFFFAOYSA-N 405.501 1.821 30 10 HDEE COCCCOC1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 777569147 GGUVMUJSLJKPAQ-DYTRJAOYSA-N 424.523 1.769 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 781598513 YUINTUGQXSYJFZ-SNVBAGLBSA-N 423.372 1.834 30 10 HDEE COc1cc(S(=O)(=O)NC(=O)CSCC#N)c(OC)cc1Br 781702491 YMJOYMBUJURKGO-UHFFFAOYSA-N 409.283 1.528 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cncc(Br)c2)n1 788695581 VSQOWKUZLJHHFX-UHFFFAOYSA-N 413.297 1.511 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 789809233 DVASMEICZHRBOR-OAHLLOKOSA-N 408.462 1.833 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)C[C@@H]2CCCO2)CCCN1C(=O)OC(C)(C)C 791870615 NFOFALGQKNHCHU-KBXCAEBGSA-N 402.513 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]([C@H](NCCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 796819287 WIDONOSUFDICEF-POSVEHLBSA-N 420.510 1.517 30 10 HDEE CC(=NNCCN1CCCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 797401410 DVUJKUFKUSOKLA-UHFFFAOYSA-N 403.346 1.896 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 802507467 GGRXTACYYQTJIN-UHFFFAOYSA-N 420.477 1.588 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 804454784 SVXCMDZCCJTGOK-KRWDZBQOSA-N 419.485 1.742 30 10 HDEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 804674573 UCLGEPHNVWHYJX-AMGRQBIBSA-N 406.483 1.762 30 10 HDEE C[C@H](OCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1nccn1C 805177909 RQMGJWNFCFVROP-AEWZPABSSA-N 419.507 1.949 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C2(C#N)CCOCC2)cc1 805231743 MBRGDKUVUXFGLV-AWEZNQCLSA-N 403.435 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 807511232 IHPZQEMMERRDBR-HZPDHXFCSA-N 417.514 1.971 30 10 HDEE CC#CCS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 810775509 IXEHUDNNEXVCOF-NJAFHUGGSA-N 418.515 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812051508 REQFUTANIIRUNI-RDJZCZTQSA-N 403.508 1.117 30 10 HDEE COc1cc(C)c(CN2CCN(C(=O)COC(=O)CC3(C#N)CC3)CC2)cc1OC 815412620 KSZHHWLTXRDSNX-UHFFFAOYSA-N 415.490 1.894 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1Cc1ccccc1 839227347 FJLMBLRQISGFQZ-UHFFFAOYSA-N 410.462 1.565 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)s1 1084179753 GRDZQEOINAGNBS-UHFFFAOYSA-N 420.528 1.746 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NC(=O)c4cc(C)on4)CC3)cc2C1=O 1115915694 KAAWBTFFQFQPRW-UHFFFAOYSA-N 422.441 1.800 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)c(C#N)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1129471538 PPFPUYQNAKAREL-CELJHQOASA-N 418.247 1.810 30 10 HDEE N#C[C@]12CN(C(=O)COc3ccccc3OCC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1134645288 FQUZBCMYJPRRDY-BLLLJJGKSA-N 418.393 1.403 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCc3nncn3CC2)nn(-c2ccccc2)c1N 1141514984 KPJXYOGQMIUCJC-OAHLLOKOSA-N 404.478 1.619 30 10 HDEE COc1cc(O)ncc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141569307 GCNCOPREICPXIC-UHFFFAOYSA-N 410.409 1.937 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 1150543904 NOSUBABNUIJUIM-QMHWVQJVSA-N 401.429 1.715 30 10 HDEE C=CCc1cc(C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc(OC)c1OC 1153324289 AOOBUTZYBFXBTF-FQEVSTJZSA-N 417.550 1.959 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc1C#N 1154576116 HXAQBHPERXMCRV-HOTGVXAUSA-N 400.435 1.882 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 1158447405 HGXIRAFGPJIRQF-IBGZPJMESA-N 408.376 1.947 30 10 HDEE C=C(CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1161803015 CAWWYNYZPFGESH-CQSZACIVSA-N 421.441 1.700 30 10 HDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(C#N)cc1 1167076853 DPAKJVNUHHLHAP-UHFFFAOYSA-N 418.494 1.630 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)cc1OC 1177865546 CRTPMDYHNTZXNW-VQHVLOKHSA-N 409.446 1.673 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1186705092 FXVMSQOPVOSMCB-UHFFFAOYSA-N 401.444 1.972 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)ccc1Br 1188688144 DURWZYSUYTZENX-DOMZBBRYSA-N 401.282 1.937 30 10 HDEE C#CCOc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1215273468 KWFNTDXFLVABHM-BTUGKURYSA-N 405.476 1.031 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)C3CCOCC3)CC2)cc1 1228673406 MNKPXOJVCSDUCF-UHFFFAOYSA-N 421.519 1.705 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1264537154 YAXWFTFJRVFWAZ-QGZVFWFLSA-N 410.515 1.091 30 10 HDEE C#CCCCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1286333729 AXPMYOFXIIPUNA-OAQYLSRUSA-N 403.527 1.696 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1286363830 SDJAGXSUHFNKEQ-FQEVSTJZSA-N 418.519 1.451 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCC1 1286424970 SKEGBQLFTFYYKT-UHFFFAOYSA-N 416.489 1.689 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3ccccc32)CC1 1286470306 XDZAOEGCSTVRJX-IBGZPJMESA-N 406.534 1.902 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286716646 JMUDZTVBJCPRNZ-HXUWFJFHSA-N 410.482 1.576 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1286727658 WROATANNEPANTB-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)CNC(=O)C2 1286784806 UKOPHACRALPNEW-UHFFFAOYSA-N 424.505 1.362 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)C1 1300021490 YIJNHJGDAMYVKB-ZWKOTPCHSA-N 402.495 1.871 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1300307330 FAAHTLIKZFVIAB-KGLIPLIRSA-N 407.565 1.900 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300488629 FRRPJXRIVGIIRB-IRXDYDNUSA-N 420.510 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1300578624 NPFJQEYDAVAVRC-MRXNPFEDSA-N 417.922 1.740 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1CC 1300630924 JTMWSJKVAOORFZ-KSZLIROESA-N 423.583 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC1(C(N)=O)CCOCC1 1300675174 NINXNKZFPAGNGP-UHFFFAOYSA-N 403.527 1.379 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2ccn(C)n2)CC1 1300703243 CLTBGUPOGHVEOW-UHFFFAOYSA-N 410.551 1.365 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300755528 VOBQGQWQJXAVDZ-AWEZNQCLSA-N 408.553 1.110 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1300756949 WXRIYRUHMKRETA-ZDUSSCGKSA-N 418.523 1.191 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1301271495 UOHLLXZZXCEYAO-IBGZPJMESA-N 412.556 1.908 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1C1CCCC1 1303540708 SWKSZIUKPXFXCD-MRXNPFEDSA-N 404.536 1.967 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)N2 1304124917 BNKQLJDXJIHQRD-SFHVURJKSA-N 420.425 1.144 30 10 HDEE CCc1nnc(N2CC[C@@H](CN(CC)CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306132346 GTNVYAUULMGBEO-JVMRMLDLSA-N 415.542 1.535 30 10 HDEE Cn1nccc1[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 1308111907 BAWHICIYOXCRIU-GOSISDBHSA-N 406.408 1.980 30 10 HDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1314692078 IHLZKWDGLKYTAF-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@H]1CCOC1 1314702222 VDUQRADOOYMYPI-KRWDZBQOSA-N 413.478 1.495 30 10 HDEE C=CCO[C@@H]1CCN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)C1 1320887776 HLEMHLKYRVHYCA-IAGOWNOFSA-N 409.556 1.664 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1nn(C)cc1I 1352021559 RLWBXZKUZCDXAA-UHFFFAOYSA-N 408.199 1.640 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1358905268 WDVXSFCLWPINTI-YESZJQIVSA-N 409.556 1.697 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358917987 HOXAAUNWAWMZFT-PKOBYXMFSA-N 414.554 1.722 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@H]1C 1358989401 ASXHLGWSEBQQMI-KSFYIVLOSA-N 408.458 1.677 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1359163832 UVULWBAECCDFDI-UHFFFAOYSA-N 405.462 1.804 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1359183499 MSDQHEOVGLWPFD-KGLIPLIRSA-N 412.560 1.205 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1)C1CC1 1359246843 MYQTXVMGGBYBQO-OAHLLOKOSA-N 422.599 1.918 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F)C1CC1 1359251469 LUAXPFNJAGOJOF-AWEZNQCLSA-N 419.498 1.811 30 10 HDEE Cc1c(Br)cnn1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1435456479 VCYZKJOWTXNVDI-LBPRGKRZSA-N 412.288 1.926 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1436172089 CGDLZKQBWKKCEV-LJQANCHMSA-N 405.503 1.424 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)nn1 1451878854 LGXRMOKYOKCTPW-HNNXBMFYSA-N 404.268 1.896 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCS(=O)(=O)C(F)(F)F 1453241417 FYMSWAHAKMOXCP-SNVBAGLBSA-N 401.407 1.624 30 10 HDEE CCc1nnc(N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c(C#N)c1CC 1458680910 JJCKUAHHOHFWRU-MLZJXEJWSA-N 406.508 1.784 30 10 HDEE CSc1ccc(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C#N 1462748306 GEAUQLRMKBSXQA-AWEZNQCLSA-N 420.516 1.062 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)nn1 1464249453 LLRVYHXYVVDUHI-HNNXBMFYSA-N 400.458 1.778 30 10 HDEE CN(CC1(O)CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466897091 CZFMJHSAHIZHES-NGEICVOHSA-N 407.511 1.773 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C2CC2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1469236364 PKKQMEHPJRGVSV-OAHLLOKOSA-N 404.511 1.794 30 10 HDEE C[C@@H](CC(=O)Nc1ccc2c(c1)CCNC2=O)/N=C1/NS(=O)(=O)c2ccccc21 1470041142 HBJKOBSIOHQDPU-LBPRGKRZSA-N 412.471 1.428 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472192682 WBHRBKILMOHBNX-MGPUTAFESA-N 412.471 1.447 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1503525394 YMSUGEBNUDQCKK-UHFFFAOYSA-N 412.469 1.860 30 10 HDEE CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1503812541 CSKNLPHVZQLCFH-UHFFFAOYSA-N 422.468 1.747 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507559268 PSIOECDLYMCXHA-QFIPXVFZSA-N 423.521 1.902 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1507592582 BJCSIKDGTJFRKL-UHFFFAOYSA-N 419.555 1.071 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(=O)NCC)CCC2)CC1 1507731229 DFRMKYFBXZZLDH-GOSISDBHSA-N 414.554 1.581 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1507833172 ZIEDDLCBBXIKHW-HNNXBMFYSA-N 402.524 1.962 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](SC)C2)nnc1[C@@]1(OCC)CCOC1 1508096886 CSMGEYKVRPVYNN-OXJNMPFZSA-N 423.583 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CCn1cccn1 1508134996 CHJBJKQNZLKHOT-UHFFFAOYSA-N 400.508 1.879 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCC[C@@H]1CO 1511886504 PTUGHIZFKFJVPJ-HXUWFJFHSA-N 424.553 1.417 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)cn1 1515777681 FYWCELAIQKGZMV-HNNXBMFYSA-N 404.478 1.748 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1517410109 PESNVBJYZJZXEZ-WOJBJXKFSA-N 416.432 1.916 30 10 HDEE CNC(=O)CCn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517602091 MMORQRXVIKODPA-UHFFFAOYSA-N 409.494 1.682 30 10 HDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1520740820 ZLRZEHVVHPMLQJ-PMPSAXMXSA-N 420.514 1.814 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1521149117 PILRDFJPRXTBFA-KRWDZBQOSA-N 402.499 1.450 30 10 HDEE C=CCn1cc(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])nn1 1529264977 OKHJHIZSHNLEOB-UHFFFAOYSA-N 409.244 1.887 30 10 HDEE CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c2C#N)C1 1529882483 HFATZOSESZZKNW-MFKMUULPSA-N 409.533 1.622 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](c3cccc(Br)c3)C2)C1=O 1533582825 WZXXPMURSLFVBR-ZDUSSCGKSA-N 420.263 1.742 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OCC)cc2C(=O)OCC)C1=O 1536975405 MVJBHIGMJWNGQG-UHFFFAOYSA-N 403.391 1.177 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2sc(-c3ccn(C)n3)nc2C)n1 1538916584 GTBCNCBFYSSARY-UHFFFAOYSA-N 412.519 1.899 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1538970324 BYIAPIMZKNTIMZ-CVEARBPZSA-N 416.551 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1539012026 DNJQVRGZPHFQPL-SJLPKXTDSA-N 424.530 1.872 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1539078937 JEYPXGDKGYHFMK-UHFFFAOYSA-N 405.549 1.642 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OC)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1539230132 KMIAFLRWVOWTJC-MRXNPFEDSA-N 416.503 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(N2CCCC2)CCOCC1 1539271764 KDLZMKFMSGTBPX-UHFFFAOYSA-N 418.545 1.982 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530659 LKAMBCLEPUTLPU-OXJNMPFZSA-N 421.567 1.352 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H]1COCCO1 1539541773 LGUZLPBIDZGGQY-UIFIKXQLSA-N 404.511 1.728 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1539752152 DNAXTVDLXWFKHO-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1540872904 FKENIHXKWTYJAV-WMZOPIPTSA-N 423.521 1.680 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1542977908 ATJVVNQUYYKQFK-ODLWAUGFSA-N 404.467 1.276 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1555047330 LTRTVAWDJKISEG-BXTJHSDWSA-N 401.442 1.936 30 10 HDEE COCCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1555595245 KVZZTQPURMWZMY-UHFFFAOYSA-N 424.509 1.421 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc3c2OCCO3)cc1 1558506801 BASKOAZCNWKXPI-UHFFFAOYSA-N 402.472 1.895 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)cc1 1558573224 LPUMPIFDZGXRSY-VIFPVBQESA-N 403.386 1.779 30 10 HDEE N#Cc1ccc(C2=CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)cc1 1567154880 PBXIQSBHGTULFX-UHFFFAOYSA-N 407.455 1.783 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1584786951 FUQNSEYYCBUKHW-HNNXBMFYSA-N 416.279 1.909 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)c1 1586497143 NYMPSOIDKCUNNQ-UHFFFAOYSA-N 413.499 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1587549706 BOSANFGETYRMNL-ROUUACIJSA-N 403.575 1.148 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064439 IFFOEIOWDPLSMT-GOSISDBHSA-N 420.579 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCCC1=O 1588245516 HKJULIWANRBNKK-UHFFFAOYSA-N 410.522 1.266 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C)N1CCCCC1 1588637298 CMUGOEDFDLHYQO-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC(F)(F)C2)CC1 1588732797 GGTDVLWEAKPCFW-MRXNPFEDSA-N 406.481 1.705 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1588766186 RLWOBKAVMDDUOY-MRXNPFEDSA-N 407.511 1.127 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2CC)CC1 1588913555 MVQIVZRETIOIBP-IBGZPJMESA-N 423.565 1.734 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1593741691 VFYZATGEILDQGX-IAGOWNOFSA-N 404.515 1.127 30 10 HDEE C#CCN(CC(=O)N1Cc2c(OC)ccc(OC)c2[C@H](O)C1)C(=O)OC(C)(C)C 1594573462 ITBAAZTXHWUUHZ-OAHLLOKOSA-N 404.463 1.950 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1595219884 ZKRFOJSBORHURX-CQSZACIVSA-N 410.931 1.909 30 10 HDEE COc1cc(CCC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc(OC)c1O 1596094494 ZOODUUKPDXTZCZ-CQSZACIVSA-N 411.462 1.741 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1596979221 XNZGNWCLZCKGLD-QGZVFWFLSA-N 413.503 1.920 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)c(OC)c1 1597259534 ANRHHLFDMQTFJD-UHFFFAOYSA-N 409.446 1.367 30 10 HDEE CCc1cnc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)s1 1613845724 NIOBDFPJIMQMLH-ZIAGYGMSSA-N 406.512 1.798 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[S@@](=O)Cc2ccccc2)c1 1615179999 GLDFEGRSONRONV-AREMUKBSSA-N 408.476 1.802 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H]1C 1615760885 GNXRRHOBOXFPJO-IAGOWNOFSA-N 420.525 1.812 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1617409864 CNZSYWSWYMJGFE-LJAQVGFWSA-N 416.551 1.936 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CCOC)CC2)CCO1 1618688547 BVXHCRLBTWSPDT-SFHVURJKSA-N 424.505 1.585 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1618794201 AYMUGLVHDWLDIN-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)c1 1620111513 WSBPOTSOHYVNRG-KSZLIROESA-N 415.498 1.097 30 10 HDEE COCC[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1626088111 WIWOJNSGJZOTAX-SJLPKXTDSA-N 403.479 1.906 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3nnnc3-c3ccccc3)C2=O)cc1 1626699740 BUAMHTRFHPCYQQ-GOSISDBHSA-N 401.430 1.129 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@@](C)(C#N)C3)cc2[N+](=O)[O-])CC1 1626947966 DXOBYIZOTXHUSO-IBGZPJMESA-N 401.423 1.018 30 10 HDEE Cc1cc([N+](=O)[O-])cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1629485936 STULBHGQZQEYMJ-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE C[C@H]1CN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1632004447 QPIZHLFDAYJDRI-ZDUSSCGKSA-N 407.312 1.594 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1634011918 YWPRUZDIFWZXQS-UHFFFAOYSA-N 403.548 1.951 30 10 HDEE N#C[C@]12CN(C(=O)CCOc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1636512617 NARLUCVUTZSDRJ-BLLLJJGKSA-N 413.293 1.615 30 10 HDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1637449889 SNALCNSIOLKJFT-XLIONFOSSA-N 416.522 1.582 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638555318 KWAKQDRHNUSYDC-JKSUJKDBSA-N 423.510 1.393 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1 1638575386 UUTPONVTPJAAGD-BEFAXECRSA-N 407.492 1.502 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1638979006 YRAFBZKUPFTPDU-IYBDPMFKSA-N 422.551 1.073 30 10 HDEE CC(C)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CC=CC1 1639381768 PGZWJKRBWVSMLW-IBGZPJMESA-N 419.547 1.975 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@H]1CC(=O)N1 1639527893 MFKULNIPUAWHGB-XIKOKIGWSA-N 414.443 1.089 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](CS(C)(=O)=O)c2ccccc2)n1 1639991777 FMXQFRKNMSWUSH-LJQANCHMSA-N 403.504 1.320 30 10 HDEE CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1640179055 MOQNLGJXCBHREJ-NHYWBVRUSA-N 400.403 1.486 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2csc(CCC(F)(F)F)n2)c(=O)nc1O 1641970670 OSBNBNIOXSIKSZ-UHFFFAOYSA-N 401.370 1.131 30 10 HDEE Cc1csc([C@@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644139840 FPNSDZXNSAXAMQ-CYBMUJFWSA-N 404.517 1.896 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)c1 1646546999 XXNLTFFTBMNYMA-INIZCTEOSA-N 412.389 1.479 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 1647924271 WBTBSPIBRVAOCQ-CVEARBPZSA-N 410.515 1.722 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1648633064 FWXNNRMSYBKSKE-QHAWAJNXSA-N 403.479 1.291 30 10 HDEE CCCn1c(CCC(=O)N2CCC[C@@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 1649030821 CLENUQIWOJKAEZ-AWEZNQCLSA-N 403.508 1.788 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC2(C#N)CCOCC2)CC1 1653634011 DKJRYVCHSBJEMF-UHFFFAOYSA-N 410.496 1.129 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1654867698 HFTMGGZGXKVTGI-GOSISDBHSA-N 417.531 1.067 30 10 HDEE Cc1cc([C@@]2(C)NC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)o1 1656255890 NJEICDFXFASKEX-JOCHJYFZSA-N 405.410 1.963 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1)C(C)C 1665701356 LOWMVSCRLGNYQU-SFHVURJKSA-N 412.542 1.902 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 1672711702 WFCNCPFFABOQBH-MRXNPFEDSA-N 409.508 1.982 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1F 1674036589 QVMAJGNOIRJOCK-PXNSSMCTSA-N 423.872 1.813 30 10 HDEE CC(C)CCO[C@H]1CC[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1674404332 OWHYZQDOXCFNJE-JCNLHEQBSA-N 403.483 1.761 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccs1)N1CCN(C)CC1)C1CCN(C)CC1 1675213314 ZIKMCNZJYPWYOA-IBGZPJMESA-N 403.596 1.776 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 1681955159 UYHJHIJKRFOIPG-HNNXBMFYSA-N 404.851 1.081 30 10 HDEE CNC(=O)[C@@H](CNC(=O)NCC1(C#N)CCOCC1)Cc1ccc(OC)c(F)c1 1683578878 LBJZGKBGTIGGJW-OAHLLOKOSA-N 406.458 1.359 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)CC2)CC1 1685427586 CSGMBVQUULTJJD-UXHICEINSA-N 418.563 1.898 30 10 HDEE N#C[C@@H]1CN(C(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)CCN1C1CC1 1687062208 HAJUGWNGNONPCC-MOPGFXCFSA-N 403.914 1.927 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@]2(O)CCSC2)n1 1690109540 VPTRPOJOMUEAAA-HXUWFJFHSA-N 416.551 1.506 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690524610 OZVTVASKSRTHLI-MOPGFXCFSA-N 410.522 1.466 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccc(C)cc1 1690668706 FZRVCHVNFPUYMM-UHFFFAOYSA-N 407.478 1.861 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1690674380 ZAIDZLZYDPUARF-QGZVFWFLSA-N 416.570 1.912 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690676411 ZEFSFBNXUPNJOH-QGZVFWFLSA-N 424.505 1.279 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC(F)F 1692780036 BJVREUJKQOHOJW-LRDDRELGSA-N 420.486 1.648 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1705494831 GOPHAWGKDITNHF-RHSMWYFYSA-N 412.519 1.757 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 1705569529 DRLQJGYYOBUFQQ-KRWDZBQOSA-N 408.474 1.988 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705572128 RIQSWRQLBMINTH-GOSISDBHSA-N 420.510 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C1CC1 1705584745 WAIILGRZDGUNHY-UHFFFAOYSA-N 401.474 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCN(CC)S(C)(=O)=O 1705596769 NGBUDACTVJDPTE-SFHVURJKSA-N 421.567 1.654 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)SC)CC1 1705648678 WFXAHPCXVVDYDV-MRXNPFEDSA-N 405.568 1.889 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)CC(=O)NC(C)(C)C 1705662777 KZBPGWLLNUUQTI-UHFFFAOYSA-N 400.552 1.981 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@H]1OC 1705667235 KUJDHEDJGPOJLB-CBGDNZLLSA-N 401.511 1.558 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705674121 AHVSZFMIHARSEV-FRQCXROJSA-N 407.540 1.056 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1705695382 WDXBLFVMFNVQNG-YJBOKZPZSA-N 418.542 1.456 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705819880 WJVDNPDTGLLUEM-HUUCEWRRSA-N 422.511 1.416 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705905108 KAFYJLIJLBFYNB-SFHVURJKSA-N 410.522 1.698 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccccc2F)C1 1705908352 OQJDJGJDRBFJEG-KRWDZBQOSA-N 403.458 1.834 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705915949 MOHNIKMRVQIROI-GVDBMIGSSA-N 411.572 1.997 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1705922918 VNOPZYJGTOTATK-RTBURBONSA-N 416.570 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(CNC(C)=O)CC2)nnc1C(C)(C)C 1705939400 WVKRZHXWDBIVJM-UHFFFAOYSA-N 411.572 1.529 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1706748571 WOWHRLRDAVJARC-NVXWUHKLSA-N 412.494 1.823 30 10 HDEE CCNC(=O)C1(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)CCC1 1710317391 DGCPAECSSVYQTK-HNNXBMFYSA-N 423.525 1.270 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCOCC(F)F)CCN1C1CC1 1712884333 KDZMLPZDTBYORM-AWEZNQCLSA-N 404.425 1.193 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1722275722 BDBZYOSPISHCSB-ZHRRBRCNSA-N 411.506 1.730 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](COC)OC 1722284818 POWRIUAMZJDBGI-WMLDXEAASA-N 419.913 1.981 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)C(C)(C)C 1722349085 FRTQCUFZVBRXFS-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722436678 KQSZYNXIIAKQQY-RBUKOAKNSA-N 413.570 1.105 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1 1722446239 BVTTXCCVJTYQHV-GOSISDBHSA-N 411.506 1.591 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722453507 VLOSRWGHMGWECL-INIZCTEOSA-N 418.567 1.376 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1722688480 CTNIKOLXGVIZJU-ROUUACIJSA-N 410.522 1.837 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)C1 1722714420 MXNWRIIZGUDUON-MSOLQXFVSA-N 416.526 1.269 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1722728557 XCJJHEMKSPTNJZ-RDJZCZTQSA-N 420.539 1.285 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1722732580 MZFAYZSFQYMJGX-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1723691906 MEEDGDRXYPHACD-UTKZUKDTSA-N 419.526 1.864 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1729189127 QKLAXRXOJYEZTC-CQSZACIVSA-N 403.508 1.601 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)O 1730759891 HUINWUUGNKIKRU-UHFFFAOYSA-N 421.523 1.486 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC(F)F)cc1 1731184746 IKAHIWAISLUEFJ-UHFFFAOYSA-N 406.393 1.294 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1740531388 KXCCLTXSESBEPE-XLIONFOSSA-N 424.549 1.489 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740570228 CPOSMJUFIXVYHR-CEXWTWQISA-N 414.554 1.580 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OC 1740687569 BJPDTPFBFZAMSV-UHFFFAOYSA-N 411.506 1.852 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740786895 RUATZHALORSVOE-JYJNAYRXSA-N 413.544 1.048 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1740810830 HGCPCSMFINWKQA-SCRDCRAPSA-N 403.936 1.456 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCn2cnnn2)CC1 1740835275 DELPELCHVZQNJE-FQEVSTJZSA-N 416.530 1.798 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1740876143 DJGYJRRNSVEHFA-ILXRZTDVSA-N 401.508 1.371 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1743381129 APEXCTGIZBYQCT-YCRPNKLZSA-N 407.478 1.727 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCSC2)CCOC1 1746668571 HSHFBSOBVWFPDG-PMACEKPBSA-N 421.567 1.928 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1748651003 HCNGXARFIVLGEM-CQSZACIVSA-N 412.519 1.897 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1748673735 KQBGHBACSMALRD-AWEZNQCLSA-N 409.943 1.872 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1748846882 LTQLGRIVVDRVLI-MSOLQXFVSA-N 424.526 1.819 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1748928894 AIUIUTGNXMVSTG-LBPRGKRZSA-N 410.487 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)OC 1748962916 UJOIQPNZICCOSH-QGZVFWFLSA-N 413.526 1.573 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCSC2)CC1 1749016581 GKDSRNCDXYNOMO-QGZVFWFLSA-N 424.574 1.983 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749037123 BDNRXMNYJVQBKA-GDBMZVCRSA-N 404.540 1.189 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1749461834 JMMVUPZPOSXIBW-MRXNPFEDSA-N 422.493 1.948 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1749634823 KHVVWSASDZQAOA-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749664004 DGFOCUFVVPMMJM-FQEVSTJZSA-N 414.897 1.617 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCN(C(C)=O)CC1 1749921227 RHDRCUNQMLUMFO-CVEARBPZSA-N 406.531 1.999 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1750069605 MDLSTMTZJJHPIA-RHSMWYFYSA-N 410.478 1.919 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(=O)N2)CC1 1751277566 XKBDKMJRYGSTLK-CQSZACIVSA-N 408.466 1.334 30 10 HDEE C#CCCCC(=O)N1C[C@H](C)OC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1757835473 ZOZOWEQNBJVCRY-SIFVSHMBSA-N 400.519 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760113383 UHXUTRYXYUKLPL-BBWFWOEESA-N 411.497 1.986 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1760207764 WCQVGGWXXNEDHS-JOCHJYFZSA-N 402.458 1.280 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCOC)cc1 1760217768 LVTXHRGOOGHMOC-HXUWFJFHSA-N 421.501 1.766 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1760237981 DANGEJRGNOUBLW-UHFFFAOYSA-N 420.561 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC(=C)Cl)n1 1760252570 PQIAFKWJRNHLTP-MRXNPFEDSA-N 417.901 1.464 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccsc2)N(C)C)CC1 1760260547 WTFVQZBLSLIVAV-LJQANCHMSA-N 422.562 1.855 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1760283860 BEFUBCPNXOGCSI-UHFFFAOYSA-N 404.584 1.687 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)CCCNC(=O)C1CCC1 1760379384 QWVMZTQJLJHACZ-UHFFFAOYSA-N 408.934 1.896 30 10 HDEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCOCC1 1762513461 FQIMRRNODIEOTQ-CABCVRRESA-N 412.560 1.691 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1764186951 ACVUNQXZYMVSKV-MHTXLSKPSA-N 422.555 1.226 30 10 HDEE CCc1nc(C)c(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)o1 1764606698 XRRDUFTZLQPZKZ-LSDHHAIUSA-N 404.471 1.638 30 10 HDEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1766101224 HYASEXVUWPDIEZ-QGZVFWFLSA-N 417.473 1.970 30 10 HDEE CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cccc(C#N)c1 1769343778 JXDMFNUTTAJGOH-HKUYNNGSSA-N 412.494 1.646 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1770740889 XUDOMPQUEDARFZ-RBUKOAKNSA-N 408.462 1.741 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCNC(=O)OC(C)(C)C 1771111217 CPYOIUGLTSJJGB-UHFFFAOYSA-N 418.502 1.570 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)CC2)CC1 1848973512 INDAVROHGAJRNF-LJQANCHMSA-N 412.490 1.864 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1849812612 MZZVXXPOXRPJGO-CYBMUJFWSA-N 410.865 1.702 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)n1 1853297909 XHFRQMUFSFLKLS-UHFFFAOYSA-N 408.315 1.699 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)cc1Cl 1853830015 FEOHVDTYKLJCAJ-UHFFFAOYSA-N 418.862 1.588 30 10 HDEE CC(C)(C)N1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)CC1=O 1854011537 FWKYNBGNMJGYGX-QGZVFWFLSA-N 410.474 1.059 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1 1854024513 CSEDRCLHZFLKHQ-UHFFFAOYSA-N 411.483 1.723 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)c1 1854141173 FPIMKKRIFOSCMJ-OAHLLOKOSA-N 412.471 1.465 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)CCc3ccccc3)C2)cc1 1854346404 XZQKHHWBYOQWTE-IBGZPJMESA-N 400.456 1.832 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(COc3cccc(C#N)n3)CC2)CCC1=O 1854426472 XPOZJGXBAATAQG-GOSISDBHSA-N 414.506 1.846 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638771 TYAJRQIRVPUITD-GUYCJALGSA-N 407.467 1.835 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)[C@@H]1C 1854820016 APNOLBHXXRLPME-INIZCTEOSA-N 407.536 1.966 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc3nccnc23)CCN1Cc1ccc(C#N)cc1F 1855046622 XSBZPOBTWVLGRK-CYBMUJFWSA-N 404.405 1.909 30 10 HDEE CCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1855298353 YUBAWVCBIWTXLM-WOJBJXKFSA-N 414.531 1.642 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2=O)CC1=O 1856030780 FYILDKILTYQGRZ-CQSZACIVSA-N 415.881 1.193 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1c(C)cnn1C 1856098458 HVVKLOIIGFNNBB-UHFFFAOYSA-N 402.476 1.655 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC4CC(=O)C4)C(=O)C3)C2)s1 1856292559 YJESDTUKVOZCKA-OAHLLOKOSA-N 400.504 1.234 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1=O 1856353152 AVGKAJIKHZRDII-GOSISDBHSA-N 405.520 1.776 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC(=O)C1 1857020565 IHMLIHHVNOBYSP-HNNXBMFYSA-N 402.472 1.811 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@@H]1CCN(C)C1=O 1857046242 RADQQNFJMGPBKM-DZGCQCFKSA-N 422.888 1.972 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(COC)cn2C)C1)[C@H]1CCN(C)C1=O 1857052889 COAPVUVBRZBRRZ-AEFFLSMTSA-N 416.522 1.269 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3ccc(F)c(F)c3F)C2=O)C1 1857111973 OCGAQSTZKPPKOS-OAHLLOKOSA-N 416.359 1.875 30 10 HDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857156083 LWGCHTYQFBDFMN-SJLPKXTDSA-N 402.470 1.642 30 10 HDEE COc1ccc(SCC(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)cc1 1857161318 LIRCZDFPRCQBNU-QGZVFWFLSA-N 416.547 1.836 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3CCN(S(=O)(=O)CC)CC3)cc21 1858635926 FKIZWOXLZMSNNK-HNNXBMFYSA-N 421.519 1.137 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)c(O)c1 1862626468 CEZITZFFEDIRQQ-MGNBDDOMSA-N 413.382 1.786 30 10 HDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2C[C@H](C)O)c(C#N)c(C)c1C 1870185610 YUCWWMCVLUHRDT-NSHDSACASA-N 416.503 1.577 30 10 HDEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(CO)CC1 1870349493 PNNZAGNHXINWEH-QGZVFWFLSA-N 411.502 1.884 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc2c(c1)OCO2 1871260176 CFSJFZAEMONRMK-UHFFFAOYSA-N 415.446 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1993238473 CJENYGVWBUJTNB-KFWWJZLASA-N 424.498 1.328 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CC(NC(=O)OCc3ccccc3)C2)cc1C#N 2054402233 BNOHEVHHSNNBJV-UHFFFAOYSA-N 400.460 1.997 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCOCCC#N 2074665977 UICDTJAKAIQAEN-HNNXBMFYSA-N 412.464 1.490 30 10 HDEE COC1CN(S(=O)(=O)Nc2ccc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2161946173 BUXVCCLLQMKSGW-UHFFFAOYSA-N 402.709 1.627 30 10 HDEE Cc1c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)nn(C)c1Br 2168202068 IOGXCYQXLSMOJZ-UHFFFAOYSA-N 422.092 1.833 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186628475 QCGHZLMZPFEGRO-QWRGUYRKSA-N 403.331 1.589 30 10 HDEE CC1(C)OB(c2csc(CN3CCO[C@H](CS(C)(=O)=O)C3)c2)OC1(C)C 2235420364 GKYWFXPWPLAPCM-AWEZNQCLSA-N 401.359 1.293 30 10 HDEE CC1(C(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)CS(=O)(=O)C1 2241112440 PFBPZYUHVIHCRY-UHFFFAOYSA-N 400.693 1.407 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243405300 DDHYAXIWWCBEIK-HUUCEWRRSA-N 403.288 1.776 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247663245 UZMFBQLRZQKRBZ-CYBMUJFWSA-N 422.287 1.826 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NCc2nccn2Cc2ccccc2)OC1(C)C 2247827222 GAVYSXKJVDSYMK-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247845847 WLNGEEFZHIHLEV-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)s2)OC1(C)C 2255947755 DARCHOINCJVQRP-LBPRGKRZSA-N 415.342 1.431 30 10 HDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270515092 VJGLQLMMUHDWCV-GOSISDBHSA-N 416.455 1.814 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270522566 PJAAGTMLJKDRRR-KRWDZBQOSA-N 417.443 1.357 30 10 HDEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C#CCO 2273863124 XBXRBJXCERSRTL-UHFFFAOYSA-N 412.467 1.054 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(S(=O)(=O)C(F)(F)F)C2)C1 2281226678 SRHLCBSDRLVNDU-UHFFFAOYSA-N 410.414 1.439 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCCN1 2282317365 PWZBNSRGDXLUME-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322576 OAOXUSYZQSTMPK-JTQLQIEISA-N 402.347 1.159 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H](CN)C3)c2)OC1(C)C 2282337247 KCYQHEAFIDKVMC-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282346057 SUPQZJAFIFERNA-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CO)CC2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282426205 ZJOQNQZKVUBPIR-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282526689 UEMNFQIRVKOPPG-JTQLQIEISA-N 402.709 1.046 30 10 HDEE COC[C@H]1C=CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836674 NKUOEITWOYTJJG-GFCCVEGCSA-N 400.331 1.159 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282841922 ZCPWQPPIVUVQDO-QWHCGFSZSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(CC(F)F)C2)OC1(C)C 2282842409 XYHBQBBMWKIDRT-UHFFFAOYSA-N 408.301 1.859 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@@H]1O 2282844844 JMWWJPFVZSGAFH-STQMWFEESA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](CO)C3CCC3)s2)OC1(C)C 2282862471 CXFIRDASEQCCGS-CYBMUJFWSA-N 401.359 1.734 30 10 HDEE CCN(CCCC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284405208 HWWHIWIKVHIAKG-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286907221 HMAJNWXBRBREAE-GXTWGEPZSA-N 400.375 1.607 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CC[C@H]2N)c1B1OC(C)(C)C(C)(C)O1 2287577715 BEZWYRASERYTMQ-QWHCGFSZSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]23COC[C@H](C2)C3)OC1(C)C 2288825736 IHWRJMPJEUXNNX-SXUIPJSXSA-N 400.331 1.041 30 10 HDEE CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@H]1CCCN(c2nccc(C#N)n2)C1 2296588054 ZPPGZMUZPPLZPX-AWEZNQCLSA-N 413.507 1.526 30 10 HDEE COCCc1nnc(SCCO)n1N=Cc1cc(Br)ccc1O 2331311172 ZTCQNSPSYXBEDO-UHFFFAOYSA-N 401.286 1.902 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4CN[C@@H]3C4)cc2Cl)OC1(C)C 2359273306 NVHXNZIPPMZSQT-MVWJERBFSA-N 418.777 1.729 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365187710 CTEICZHZBZOTSL-ZRGWGRIASA-N 401.525 1.448 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C 2365210443 KEXODJWDSRTHFX-UONOGXRCSA-N 415.581 1.994 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC 2365212309 RCMXQNTTZQEYJH-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(CNC(=O)OC(C)(C)C)CCOCC1 2367785201 DFQVOIKZNAUVGM-HNNXBMFYSA-N 400.541 1.477 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1 2367795445 DWNQSPLLLSHVSV-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367819182 ONQIGEUMMBFEHU-HUUCEWRRSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CN(C(=O)OC(C)(C)C)C1 2367834437 RMFMGEDDGNIJBJ-OAHLLOKOSA-N 400.541 1.307 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)[C@@H]2CCS(=O)(=O)C2)OC1(C)C 2369889223 KWQSOUVNNWXQDV-SNVBAGLBSA-N 419.761 1.752 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 96997284 PGIVFWZBPZJQNB-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 146458959 BZQDHZDSIXPDSS-LAQJBZHXSA-N 422.430 1.187 30 10 HDEE N/C(=N/O)[C@H]1CN(C(=O)c2cc(Br)ccc2Br)CCO1 161135820 VPLVRIJGYBRRCW-SNVBAGLBSA-N 407.062 1.799 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 410205137 GVTQSMROECCRCR-WMLDXEAASA-N 423.514 1.247 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@]3(C(=O)OC)C[C@H](OCC)C3(C)C)cc2C1=O 444559579 AYPJYVVXMIZUSN-KSFYIVLOSA-N 414.458 1.945 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)CC1 466108123 PTPBCEUUECPYBJ-UHFFFAOYSA-N 413.522 1.523 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c(C(F)(F)F)c1 474208482 VELZDBSILUZZIO-AWEZNQCLSA-N 417.409 1.635 30 10 HDEE Cc1ccc(C(=O)N2CCC(n3cncc3C)CC2)cc1S(=O)(=O)NCC#N 476778963 OATLVJULAKMKCO-UHFFFAOYSA-N 401.492 1.779 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 480255587 BEFCUNCGORMFMM-ZDUSSCGKSA-N 420.470 1.819 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2occc2CN2C(=O)Cc3ccccc32)CC1 484879947 OXODOCRGJLTTOF-UHFFFAOYSA-N 422.485 1.429 30 10 HDEE O=C(CN1CCN(c2cccnn2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 507230294 JWRIQINATXVHFF-UHFFFAOYSA-N 403.408 1.785 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 524422059 XBGAWVYTJIVDCZ-HUUCEWRRSA-N 404.517 1.710 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CC1 532817400 BSNFXQTYVMZLCV-OAHLLOKOSA-N 408.499 1.283 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541801359 NGNZTTDEBVWBEW-UHFFFAOYSA-N 424.482 1.438 30 10 HDEE C[C@@H]1CN(C(C)(C)CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@@H](C)O1 546216265 BEIZHHLPCPWMSX-IAGOWNOFSA-N 400.527 1.673 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 553571297 CCVULNHLGXAXRA-KRWDZBQOSA-N 405.501 1.441 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 555289240 LDCOHQOGWQXRNR-CQSZACIVSA-N 405.528 1.683 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 557746952 IUQJKHLCRDVFHT-SFHVURJKSA-N 409.515 1.897 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 559140371 LNLJBLNQBKAVMF-QUCCMNQESA-N 420.579 1.841 30 10 HDEE Cc1oc(C#N)cc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 559240465 OUBIQETYZMABDH-HNNXBMFYSA-N 410.478 1.036 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)ccc1C#N 568072128 QLLJUSHQTCPQMD-UHFFFAOYSA-N 403.460 1.110 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(-n2cccn2)n1 585476579 GTWHJNLBHJUPJP-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE COc1ccccc1N1CC[C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586850481 IUHSGQRNWZXKAM-INIZCTEOSA-N 410.449 1.965 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCCC2)cc1 603887554 GLLHTJJGQJYSIG-UHFFFAOYSA-N 409.508 1.536 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2OC(F)(F)F)CC1 604164607 KAUVKYQKVXMCFP-UHFFFAOYSA-N 400.401 1.715 30 10 HDEE CCc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 609827123 JMQJAKLZHSHFKY-UHFFFAOYSA-N 414.491 1.517 30 10 HDEE C[C@@H](C#N)CN(C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)C1CC1 611097871 GVMWVWDOVFCODK-LBPRGKRZSA-N 412.450 1.335 30 10 HDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 618466011 RVRXYEHIULNRKY-RHSMWYFYSA-N 400.439 1.017 30 10 HDEE N#Cc1c(N2CCOCC2)ncnc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 675017927 JQDJCTPUJFBGTJ-UHFFFAOYSA-N 408.462 1.236 30 10 HDEE NCC#Cc1ccccc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980156 VOGIQLIPJIHHTR-UHFFFAOYSA-N 411.483 1.103 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(F)cc1C#CCO 703985556 WQAJXTXNCMGXFK-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE N#CCCCOc1cccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1 726783998 XOMBYYJNFXBQIB-LJQANCHMSA-N 420.494 1.798 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 727988372 CGVKFCMKUWSEGW-MPUISCFQSA-N 424.548 1.749 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc(-c2ccoc2)no1 729867418 UOHUHGKUKNKZAI-UHFFFAOYSA-N 416.415 1.892 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1C1CC1 732665059 UGEKUHFNWNWNTE-SFTDATJTSA-N 403.486 1.621 30 10 HDEE Cn1cc(C(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c(=O)n(C)c1=O 735209705 DXYWBQIUJADOEL-SECBINFHSA-N 402.382 1.976 30 10 HDEE Cc1c(NC(=S)NN=C2CCC[C@@H]2S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 741459089 YVECEWOTHCIPPS-HNNXBMFYSA-N 421.548 1.724 30 10 HDEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 742213409 IHWLEZORKRVFHA-SFHVURJKSA-N 411.531 1.971 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 751330320 GMIYCBFDXSSWHN-GOSISDBHSA-N 412.519 1.605 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754048191 UDQOHULYAKFCNA-UHFFFAOYSA-N 410.405 1.598 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 758750631 GNOKHRZGJVIMDJ-IRXDYDNUSA-N 400.479 1.909 30 10 HDEE Cc1nccn1-c1ncccc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 760657534 QDGPOVPHTDTBJU-UHFFFAOYSA-N 402.462 1.874 30 10 HDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](C#N)C2CC2)C1=O 771472631 BBHUZZXCXLDYHZ-SUMWQHHRSA-N 405.252 1.634 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(O)(C(=O)OCC)CC2)CCCN1C(=O)OC(C)(C)C 773987675 MXGYGQFEBIABRB-FQEVSTJZSA-N 408.495 1.696 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 774231229 UNCHYXQZQHCRHB-LZLYRXPVSA-N 409.577 1.963 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)cc1C#N 787174260 HXEYBULOPNSDCA-UHFFFAOYSA-N 410.474 1.440 30 10 HDEE C[C@H](OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F)C(=O)NC1(C#N)CCC1 787677520 JCYLLSQPAKNCOK-VIFPVBQESA-N 405.354 1.483 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@H](N2CCN(c3ncccc3C#N)CC2)C1 787685582 FJRIFCBDDWKKRX-UTKZUKDTSA-N 401.511 1.836 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)n1 788367641 USUSMDHZHWMFKE-UHFFFAOYSA-N 412.406 1.347 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OCC)ccc2C)n1 788695538 SFDXRAJTELBWAZ-UHFFFAOYSA-N 419.503 1.839 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)n1 790105825 CPUUXKOXVUNVAY-UHFFFAOYSA-N 423.433 1.602 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)n1 790106024 MSLHJZVYEJRWBD-UHFFFAOYSA-N 409.421 1.490 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1C 801376342 HQIFMLKVFNAHNR-WGLILOHCSA-N 412.446 1.529 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCCN(S(=O)(=O)C2CC2)CC1 802745999 XTJUHQRPHVNUAA-UHFFFAOYSA-N 400.508 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 807511230 IHPZQEMMERRDBR-CVEARBPZSA-N 417.514 1.971 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2cnn(C)n2)C1=O 807937742 LRWFYGLDWVPECF-HNNXBMFYSA-N 418.479 1.100 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc(OC)n2)ccc1F 811075146 RRBLFUFKPDNTHE-UHFFFAOYSA-N 408.407 1.733 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1C[C@H]1CCCO1 916197225 OWJIQSXEYVSIOO-CYBMUJFWSA-N 416.846 1.677 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1134120329 LVVYKZKUYWPDLX-MRXNPFEDSA-N 416.503 1.161 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1140132430 GAMFSOMDNCUDSL-MSOLQXFVSA-N 418.538 1.058 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NOCCN3CCCC3=O)C2)C1 1149452708 XYUPDBIMZZNMLW-CHWWFWEZSA-N 406.483 1.443 30 10 HDEE N#Cc1cncc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 1156107989 KETNQKUFQQBLHV-INIZCTEOSA-N 402.451 1.809 30 10 HDEE Cc1ccc(C(=O)NC(C)(C)CNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1156177705 NKCIHHKZRVJMTO-UHFFFAOYSA-N 410.345 1.352 30 10 HDEE N#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1157962360 BCOYUQSAJMZQNW-GFCCVEGCSA-N 405.398 1.107 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1158851133 PQABAPOBAUFBLA-UHFFFAOYSA-N 403.460 1.658 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(C)c(C(N)=O)s3)ccc2c1=O 1163531401 MBFKZQIVXFCWIS-UHFFFAOYSA-N 415.500 1.665 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@@H](O)c1cnc[nH]1 1177837008 HLEYLEZVLAYJLW-MSOLQXFVSA-N 411.462 1.965 30 10 HDEE Cc1cc(C(F)(F)F)nn1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1177947830 AJWFHKWIKBDDEY-UHFFFAOYSA-N 414.409 1.813 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1S(=O)(=O)c1cc(Br)ccc1C#N 1209890538 CDKMWYSVJFYDJR-UWVGGRQHSA-N 407.311 1.517 30 10 HDEE C=CC[C@@H](CO)CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1210542563 BCIBOSCKUAMJTQ-CQSZACIVSA-N 422.530 1.658 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1212123415 LUCSBRXLNJLIOG-DLBZAZTESA-N 408.476 1.129 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1CN(C)C 1225936074 CYSHBPMLVLLUMJ-TVFCKZIOSA-N 422.574 1.126 30 10 HDEE CN1CCC2(CC1)CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1248376281 VPURUANGCYJDPR-LJQANCHMSA-N 411.506 1.165 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1255459197 CMCNBRVBZQZFCV-ARWYELJZSA-N 406.508 1.719 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286322956 IAZITTSQIDTQDA-MRXNPFEDSA-N 409.556 1.446 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286410253 ZVWABPLAVCMVNL-KRWDZBQOSA-N 400.479 1.516 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COc2ccccc2O1 1286460607 HFJXLOMFVIOQED-MRXNPFEDSA-N 413.478 1.342 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cc(OC)ccc1OC 1286466412 GNBBTBTZVRBMEA-MRXNPFEDSA-N 400.479 1.934 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[C@@H]2C)n1 1286472646 ZWCUKEPVLODFAK-BQFCYCMXSA-N 411.510 1.368 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccnc2-n2cccn2)CC1 1286478255 AQMOLWBGZZFEAJ-UHFFFAOYSA-N 404.522 1.861 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286493466 BSEOEOYVNLTGLJ-KGLIPLIRSA-N 415.585 1.041 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1286612166 WJBBODBKFUJUNR-IBGZPJMESA-N 404.540 1.928 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1)c1ccccc1 1286615778 UFMBLDMZPPRQBA-UHFFFAOYSA-N 408.506 1.941 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1286790455 FJHDAJZSXOTSPL-UHFFFAOYSA-N 406.531 1.836 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1286809832 LQHSXUXXEKJBSF-IAGOWNOFSA-N 415.494 1.976 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NC(C)C 1287475550 WEVAYHIXTFOJMT-UHFFFAOYSA-N 424.553 1.985 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291165528 MEQAXSMTTSRXDK-IHCANNCPSA-N 414.510 1.933 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)Cc1ccc(Br)cc1C#N 1295740238 PFIYHDXGPWYNHG-HNNXBMFYSA-N 424.295 1.683 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1300489092 IPFQDDGVUKFJEP-INIZCTEOSA-N 416.503 1.105 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300495198 FHESOPXOSAFOPV-ZWOKBUDYSA-N 424.567 1.553 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300499119 PKMIQZNGKFKVBX-GOSISDBHSA-N 401.536 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)CC 1300521367 WBSHYDDBUURTJH-UHFFFAOYSA-N 406.899 1.006 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1300538082 NHFLLJPHPANRQC-RXVVDRJESA-N 421.501 1.584 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(C)C)CC1 1300723326 RXROGAFRAIXGTC-QGZVFWFLSA-N 400.527 1.631 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1300890792 HUVRMXGUSVEVQB-PKOBYXMFSA-N 418.567 1.690 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1300894817 KCQDKIVRDYUDBW-SFHVURJKSA-N 412.446 1.980 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1300988270 ALCUIMDJBPJUKM-KTGAGVNESA-N 424.567 1.370 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300989460 ONNFJXDHCPXPDH-RTBURBONSA-N 405.543 1.676 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301050623 CEEQIPPMTKTLEX-INIZCTEOSA-N 422.961 1.843 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301251548 GBIHZSBVADCZOE-CVEARBPZSA-N 415.498 1.897 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301584456 ANAYMRCLGCPILU-IAGOWNOFSA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301594910 LOARJHHLRXENEG-FQEVSTJZSA-N 420.583 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596725 XGGFMTZEEPDWCJ-QFBILLFUSA-N 412.556 1.766 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1nnc2n1CCC2 1302240996 FSZUKSOAGJEHLF-ZQIUZPCESA-N 400.487 1.326 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)c1 1303504835 HVGGMFAADXCSLM-GOSISDBHSA-N 420.531 1.694 30 10 HDEE C=CCOc1ccc(C(=O)N[C@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc1OC 1304148783 QNQFCRVIWKFCLJ-AWEZNQCLSA-N 400.435 1.068 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)CC1 1309870217 MKVRALNOUCZNLP-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE CSc1ccc(CNC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1C#N 1312864107 ZAPABWUTZGLRBQ-UHFFFAOYSA-N 417.579 1.876 30 10 HDEE CCS(=O)(=O)NCCCn1c(Nc2ccn(C)n2)nnc1-c1ccc(C#N)cc1 1314552186 JUGRUDHUJLNPSJ-UHFFFAOYSA-N 414.495 1.623 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1315815876 OTHYSDRQUBARAI-SFHVURJKSA-N 422.468 1.918 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@H]1C 1316128129 DHELZXFCNQJVFD-QGZVFWFLSA-N 421.509 1.265 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCSCC1 1316271531 GIFFAVMGHAMLMC-ULQDDVLXSA-N 408.572 1.789 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1358872352 SVRLYDAYNNYEIR-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358931450 BPLHHYRITLTJOG-UHFFFAOYSA-N 402.524 1.195 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1358948604 GHPUJXGIXURZIZ-JKSUJKDBSA-N 400.504 1.816 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC1(OCCOC)CCOCC1 1358950906 BORRFVMMCJRGJL-UHFFFAOYSA-N 419.551 1.915 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358956671 JGQZTPYNGBSXAD-IKGGRYGDSA-N 423.583 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@@H]1C 1358978145 DXWLUGUAPVEZIY-IPMKNSEASA-N 418.563 1.848 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358978380 LAPCYOQPPLPTQG-FQEVSTJZSA-N 420.517 1.525 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCSC1 1358986513 YHRBSIHETLNZHP-WOJBJXKFSA-N 404.536 1.261 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1358997010 AXODCTKWTFGWFX-YDHSSHFGSA-N 409.534 1.805 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCS(=O)(=O)C1 1359020540 HCZAXOHPUFTPEH-INIZCTEOSA-N 406.508 1.757 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359061592 GWWVEJWQFZLLAT-IBGZPJMESA-N 404.540 1.667 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359101660 QRKDMIRSVYAGTE-CDXJDZJCSA-N 410.522 1.912 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359123221 SEVFVBVPONNUOB-KRWDZBQOSA-N 404.540 1.606 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1359163480 GSYIYZLJHGNJKI-UHFFFAOYSA-N 407.544 1.507 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359221324 XZKSFUVZKFQBPC-FQEVSTJZSA-N 406.531 1.746 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1359282238 VKIBKTDWFIGHAN-DLBZAZTESA-N 424.567 1.636 30 10 HDEE C=CCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359290312 VCZIDOPEEWCANC-RXVVDRJESA-N 405.543 1.663 30 10 HDEE C=CCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290400 ZNUQDCMVSBHDCQ-NRFANRHFSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359304008 IEVLFKSLCJGQDF-MSOLQXFVSA-N 413.526 1.447 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H](Cc1ccccc1)C(=O)OCC 1435899995 MNGBTEWOVKAWFB-AZUAARDMSA-N 424.501 1.962 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1441918196 UNUWQAHMZUNIJF-MLGOLLRUSA-N 423.516 1.330 30 10 HDEE N#C[C@]12CN(C(=O)Cc3c[nH]c4ccc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1456613828 NWMNTFZTMRNJEO-YVEFUNNKSA-N 422.304 1.870 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OCC 1463733245 WHRKOYGVZVYKFI-CYBMUJFWSA-N 403.428 1.797 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)no1 1463864296 UOQDQTUWWGAWDW-QPJJXVBHSA-N 400.410 1.487 30 10 HDEE C=C(C)CONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1469742521 ZHVGBCKRZDOUFO-ZDUSSCGKSA-N 423.413 1.242 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 1472571062 AAIMVDSKEGARQX-GOSISDBHSA-N 414.487 1.042 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1499308210 SAOCZSFMVNRJSH-UWJYYQICSA-N 410.478 1.337 30 10 HDEE CN(C)CCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCOCC2)CC1 1503397965 DMEPHPSRIFJHOT-UHFFFAOYSA-N 423.565 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C1CC1 1507522054 ANKHHVCMRFAUQR-CVEARBPZSA-N 405.510 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1507539562 WOPJKANRGQDWJQ-HOTGVXAUSA-N 410.540 1.081 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507576788 ZNASGSMECBSXCH-UHFFFAOYSA-N 411.510 1.439 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1c[nH]nc1C 1507609663 DNEMTZJALILQQX-UHFFFAOYSA-N 402.466 1.655 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507647421 DUGOVPMGODOBES-QGZVFWFLSA-N 412.519 1.003 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(F)c1 1507712384 FVZMZHIDPWNFNA-KRWDZBQOSA-N 401.442 1.533 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(Cl)nc2)CC1 1507720039 RISAQVQJHKBSCI-MRXNPFEDSA-N 418.929 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)OC)CC1 1507742546 LOQDMYQPLBAHQT-IBGZPJMESA-N 410.522 1.655 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC#C)CC1 1507753431 NEYGXKCTTKQLQQ-UHFFFAOYSA-N 420.542 1.850 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507832930 PTKHABYLHYBHBZ-INIZCTEOSA-N 407.482 1.372 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1508017073 HZBGGHMCVZMHFA-HNNXBMFYSA-N 407.540 1.765 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnnn1C 1508037327 AZOVSMUJEAVWOY-GOSISDBHSA-N 411.466 1.606 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@]1(OCC)CCOC1 1508098373 ORBRWZAHCXYSFI-UXHICEINSA-N 407.515 1.238 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508389215 GOULDWKLKMLULE-NRFANRHFSA-N 407.478 1.059 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508816126 NHFXOOGKQQOFHH-ROUUACIJSA-N 421.505 1.304 30 10 HDEE Cc1c(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1510506726 PHKOKYVWGCYIKC-GOSISDBHSA-N 409.498 1.617 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1516964303 UYWRUJGZRKUTGT-UFRUDQCGSA-N 408.506 1.892 30 10 HDEE CN(C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1517021625 KWAFXJUYNKGJFS-QGZVFWFLSA-N 410.478 1.998 30 10 HDEE COC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1517944539 HOOGTDQQNTYFJT-MRXNPFEDSA-N 402.499 1.479 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCNC2=O)c1 1525957138 WUKVNSIOJLWOIT-CHOFAJOMSA-N 406.508 1.744 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(C)(C)C 1529123100 KBGUYJOBKHPABX-UHFFFAOYSA-N 407.536 1.966 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCS(=O)(=O)N1CCCC1 1536483192 XMYSJAYNEJUBFL-AWEZNQCLSA-N 402.517 1.115 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCO2)cc1 1536663123 HZZDCSRSCVXHRH-IBGZPJMESA-N 422.397 1.792 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1539014228 LLMLYFQEHBRLPN-KGLIPLIRSA-N 407.565 1.900 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539097484 OKLCMVJBTWQTCW-GOSISDBHSA-N 412.515 1.994 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1539345566 VCXQOICJRBBNBH-FQEVSTJZSA-N 405.499 1.621 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCc2cnn(C)n2)CC1 1539480967 HSLAQLLIDDTOLH-UHFFFAOYSA-N 410.526 1.273 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539758169 IBHODBUTRRCZJM-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1540047242 FRRBXFYNPULOIV-LLVKDONJSA-N 418.445 1.973 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540917270 RERUZYLICNMHNN-UHFFFAOYSA-N 422.599 1.970 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1541115858 GDVVLQIZFSINKM-FYINFDKHSA-N 412.494 1.453 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@]3(CCCC(C)(C)C3)C2=O)CC1 1544630964 XVTHJBHZSXKPCM-HXUWFJFHSA-N 404.467 1.183 30 10 HDEE COc1ccc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1544961903 HUQRNFHCTREYDS-CYBMUJFWSA-N 402.451 1.973 30 10 HDEE COCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1555223405 KPSQKHSENPEFSR-HDICACEKSA-N 413.478 1.963 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(F)c1 1555556421 BCDXZBRVUMTSSW-KRWDZBQOSA-N 400.458 1.977 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H]1O 1555940904 RIKVKGHJKPLYHF-APWZRJJASA-N 424.505 1.273 30 10 HDEE CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H]1N1CCCC1 1556104220 MZKGMANNMDWIIZ-DLBZAZTESA-N 411.524 1.775 30 10 HDEE COC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1557657829 ZDCSPUFEUDWPJZ-INIZCTEOSA-N 413.434 1.110 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNc1ncc(C#N)cc1Br 1559276066 HVQOHTFUTVTEGE-UHFFFAOYSA-N 416.279 1.902 30 10 HDEE COc1ccc([C@@H](OC)[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1564448891 ZUSIZNZDPBTQOR-UJNZZBMASA-N 407.492 1.351 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)cc1 1568181273 NZSZQYQGNYBCAR-UHFFFAOYSA-N 422.310 1.881 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1572165656 URMXWPXELYXKNH-XUFBONQXSA-N 403.523 1.330 30 10 HDEE C#CCN(C(=O)c1ccc(C#C)cn1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585675520 VTZXBBMEPZGHOG-NGVUMRSOSA-N 403.482 1.553 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1585708043 RIBICFZEJLISCD-BBWFWOEESA-N 409.527 1.990 30 10 HDEE C=C(C)C[C@H](NC(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C)C(=O)OC 1588127701 ZPXWELYFRWJUMX-KRWDZBQOSA-N 402.451 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588166683 NCFFYBXBCNEARZ-QZTJIDSGSA-N 419.551 1.092 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588628600 LQEZBKKEYOUMLO-UTKZUKDTSA-N 412.494 1.549 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCO[C@H]2C)CC1 1588849116 ZNPMGLXECRIABD-JTSKRJEESA-N 413.497 1.303 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1589207766 QGVRRWHHMVGIHA-ABSDTBQOSA-N 406.552 1.989 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1589516309 ZILGLKFBUCZHRS-DNVCBOLYSA-N 414.510 1.725 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595776801 FUPQSKSAGILQEM-IRXDYDNUSA-N 415.519 1.261 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1597100295 FETRTCTVRQQPOV-OAHLLOKOSA-N 412.533 1.381 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)Cc2cccc(C#N)c2)C1 1597576986 PAOCCBGUWOPIAG-QGZVFWFLSA-N 421.519 1.641 30 10 HDEE C=CC[C@H](CO)CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1598058374 SCRHFJGMBUFRQD-ZDUSSCGKSA-N 408.296 1.821 30 10 HDEE CCOc1ccccc1-c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n[nH]1 1607488606 IOOKEYZGWRTLBQ-UHFFFAOYSA-N 406.402 1.306 30 10 HDEE CCCc1nnc(S)n1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611649188 ZPHVKXBGSKSKML-UHFFFAOYSA-N 403.464 1.423 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN(C)CC(F)(F)F 1612599075 ATQNADCJNNJABO-ZDUSSCGKSA-N 423.447 1.457 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)CN1CCOCC1 1613987456 OFUNRRHQIKWMOI-HNNXBMFYSA-N 411.510 1.344 30 10 HDEE CC[S@@](=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617438399 IGBFUISDYVGLNE-GDLZYMKVSA-N 413.551 1.592 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(c3nc[nH]n3)CC2)n(-c2ccc(F)cc2)c1C 1619269629 CMUPDBQGJYCWRJ-UHFFFAOYSA-N 422.468 1.984 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)C[C@H]1COc2ccccc2O1 1619904968 MXENXGCYZJUBSB-SJORKVTESA-N 402.491 1.950 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(C2CC2)C1 1619990403 SFZMVEFUAOBICZ-QINHECLXSA-N 406.506 1.928 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)CCOCC1 1622332461 JWIBLRVYKYWHHA-UHFFFAOYSA-N 416.565 1.920 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)c2)cc1 1624462691 YBSQFMHEYPMYAN-QHCPKHFHSA-N 421.453 1.495 30 10 HDEE COC(=O)[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624970473 WKJIEXAIUSSPHI-CVEARBPZSA-N 403.435 1.043 30 10 HDEE C#Cc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)c1 1626489552 UUVMKSUPCLYNQZ-UHFFFAOYSA-N 400.456 1.439 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1628666934 MVPTVLGBEORRSZ-SFHVURJKSA-N 411.458 1.867 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1628754232 LTGPIZAASJMDDK-QGZVFWFLSA-N 407.474 1.595 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1 1630104443 ZPZIKURLEUIPKK-JSGCOSHPSA-N 404.410 1.780 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 1632227380 CXHHHBSSSSZQLN-UHFFFAOYSA-N 412.483 1.688 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 1633522970 VPVSXLZKAARLMN-UHFFFAOYSA-N 409.508 1.688 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(C4CS(=O)(=O)C4)C3)CC2=O)cc1Cl 1636074775 NDOZZOCTGCHLRF-GFCCVEGCSA-N 407.879 1.068 30 10 HDEE O=C(CSc1nnnn1CC(F)(F)F)NC[C@@H](O)C(F)(F)C(F)(F)F 1636671299 RWOQQNHJEYQONX-SCSAIBSYSA-N 403.255 1.002 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1637576241 XEEBXDZBLOIDOP-XHDPSFHLSA-N 403.382 1.549 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1637802025 CVIRYUSHTCMUGE-AWEZNQCLSA-N 410.496 1.349 30 10 HDEE Cc1cc(C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)c(C)n1-c1ccc(C#N)cc1 1639376917 NEXMTGCUSCITLY-UHFFFAOYSA-N 412.475 1.559 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCC(=O)N3CCN(c4ccccn4)CC3)CC2)C1 1639646200 MMJLHTDQTPETGQ-UHFFFAOYSA-N 412.490 1.375 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1642527015 CFBQKUNPSNRPKY-UXHICEINSA-N 405.458 1.932 30 10 HDEE Cc1cc(C(F)(F)F)c(=O)n(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)n1 1644001393 AYZNFKNKMWVZAU-QGZVFWFLSA-N 419.407 1.980 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[C@H]3N3CCC(O)CC3)CC2)o1 1644149643 ILMMQFCKDYXVHI-PKOBYXMFSA-N 401.511 1.565 30 10 HDEE Cn1nccc1C1(O)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1644370973 VWINHMBAPWPULL-UHFFFAOYSA-N 420.435 1.890 30 10 HDEE C#CCC1(NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCOCC1 1644566981 MILICWLVJMNVLC-UHFFFAOYSA-N 423.473 1.617 30 10 HDEE O=C1C[C@@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)NC(=O)N1 1648125830 ROHKWUSFLPIUBP-ZLUOBGJFSA-N 409.233 1.214 30 10 HDEE C[C@H](NS(C)(=O)=O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125857 SLEKPDRSSIKUML-ACZMJKKPSA-N 418.306 1.554 30 10 HDEE C#CCC1(N[C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1648399374 FRRJDBYLAHGDRZ-KRWDZBQOSA-N 419.547 1.879 30 10 HDEE CON=Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1648458879 QWFKMMULLNAGPI-KOHRHEQBSA-N 408.476 1.296 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 1648937557 GHXVMVURQDCKAM-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1649539482 NVYHMTAVVMRNEU-YRISNDGFSA-N 403.527 1.647 30 10 HDEE Cn1c(=O)[nH]c(N(Cc2ccccc2)C[C@@]2(O)CCc3ccccc32)c(C#N)c1=O 1650893123 ARJJZOMRKGBRNC-QHCPKHFHSA-N 402.454 1.786 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccccc3C#N)CC2)CC1 1653282613 KGEKZCSWNGJOGC-WWAKMMQFSA-N 415.534 1.916 30 10 HDEE O=C(CN1CCC([C@@H]2COC(=O)N2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1655760619 MHAQOONXYIYYEP-KRWDZBQOSA-N 409.408 1.994 30 10 HDEE C=CCN1CC[C@@H](N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1655943088 LMJFQABWXALVFI-DLBZAZTESA-N 406.527 1.317 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)nn1 1663554439 CNAXDNKDGVFHCR-UHFFFAOYSA-N 403.508 1.280 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CC1 1668808131 PAHIFARWFXSCKP-UHFFFAOYSA-N 417.300 1.879 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 1671751143 KXDQWEIZGLNULD-HXUWFJFHSA-N 403.548 1.650 30 10 HDEE Cc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1C 1672054110 CECAFOBSTTYTRR-QKLQHJQFSA-N 416.503 1.376 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1677073411 QDNDYFVQUVIKHV-OAHLLOKOSA-N 423.535 1.984 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1681226259 DJIBCXBDVYTRDF-ZBFHGGJFSA-N 404.467 1.793 30 10 HDEE CC(C)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CS(N)(=O)=O 1684709499 MHYZPYOWLCVSPI-UHFFFAOYSA-N 407.540 1.090 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C1 1686055681 MTJROUKIZSFNEX-RWMBFGLXSA-N 424.420 1.063 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1687789111 UOGPAMKUUXPOKW-QRWLVFNGSA-N 410.482 1.008 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1689853825 ZCNMIJPAAXHDFI-HUUCEWRRSA-N 420.514 1.133 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](N2CCCC2=O)C1 1689907858 OCHOJTCIJZQLKA-KRWDZBQOSA-N 400.527 1.811 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1689986093 IMPYCZQYMVYAAQ-SFHVURJKSA-N 416.551 1.307 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689991120 WDKHXEKDQOSTPR-RBUKOAKNSA-N 414.531 1.847 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCn1ccnc1C 1690098226 AIKNNRAUPNMDNL-UHFFFAOYSA-N 408.462 1.965 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CCCC1 1690100170 ZMKPMKPDCWBJED-UHFFFAOYSA-N 417.535 1.784 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCCCC1 1690102760 UPNNEEVNQGAHAR-GOSISDBHSA-N 403.527 1.661 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1690126036 SJZHZNZTVXXERS-QFIPXVFZSA-N 422.577 1.978 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1690328961 ROXNLRCPGVAVAI-IAOVAPTHSA-N 415.947 1.648 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690461069 TXEOROGEYPGXOY-QGZVFWFLSA-N 424.553 1.881 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690497099 HHIBXRWPNOXKMD-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1690508249 DPZWKIWGTBENOI-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1691003026 AUGADJMZRPDRIX-JKSUJKDBSA-N 403.508 1.852 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1692662391 KUIOTBBYIMTFNP-VPZZIHKRSA-N 402.455 1.284 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1696045671 GFLRNAZGTXDIHS-KKSFZXQISA-N 416.526 1.585 30 10 HDEE COc1ccncc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1697633378 GPGZEVSXCFKJQW-KRWDZBQOSA-N 408.466 1.320 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1noc(CC)n1 1705549921 NIJKWCSRYKZJSC-UHFFFAOYSA-N 418.461 1.450 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1705567335 WTYFZUUXWDFEKU-GOSISDBHSA-N 405.568 1.658 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1705639883 YOSVXYUETSMIOC-WOJBJXKFSA-N 402.587 1.904 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1705832553 BCMUFSNSHRIXJW-SFHVURJKSA-N 403.575 1.410 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706060798 DDQIQRPFYOCNGW-VQTJNVASSA-N 424.505 1.758 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1708262530 FDVLNPHZIPABAM-SJORKVTESA-N 423.521 1.204 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1708264400 HNBMXDZXLPJYRW-ZWKOTPCHSA-N 422.537 1.976 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCCn1cc(CO)nn1 1722383104 HWZJOZNNMITQEC-UHFFFAOYSA-N 407.453 1.255 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC(C)(C)C(=O)NC 1722386103 VTIMJRDCCLYJHK-UHFFFAOYSA-N 407.518 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(CCOC)c1 1722401077 KLMSRBQLGAEVQF-UHFFFAOYSA-N 420.521 1.494 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1722419105 NZSLZSNPWCJTKF-IBGZPJMESA-N 404.603 1.935 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)c2ccccc2)CC1 1722438709 YSHOCDRADAPKAQ-HXUWFJFHSA-N 403.490 1.878 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722438814 CXMIXNCDBQINPW-QUCCMNQESA-N 410.522 1.071 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCc1cnccn1 1722463283 ZWTQAAJCTUFPLR-UHFFFAOYSA-N 410.551 1.975 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722471119 SFZFVLYRIWFDLB-WOJBJXKFSA-N 400.504 1.487 30 10 HDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1722523988 FPJXFVJYFCHKKM-GOSISDBHSA-N 413.478 1.837 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C)C1CC1 1722650724 JKHCZVPKGMZYRK-HNNXBMFYSA-N 409.556 1.497 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1726805763 FOLHHCCNISMIOS-HXUWFJFHSA-N 408.466 1.375 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCCC2)CCO1 1731187321 NDYZXGKWGPWNRS-GOSISDBHSA-N 416.526 1.869 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CCOC)C(=O)C1 1740596640 IZNFGLVGNMGLMZ-IEBWSBKVSA-N 417.554 1.905 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740623003 MPEXCPYEAHORIN-KRWDZBQOSA-N 422.551 1.368 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1740822432 PRJRKFGNWUGXRV-ZPHPHTNESA-N 408.466 1.361 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1740886907 WWYXRABNWINXRS-INIZCTEOSA-N 420.539 1.178 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2ccccc2)C1 1740951478 ZQDZSGWAFOASEQ-SFHVURJKSA-N 424.505 1.394 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCCn1cnnn1 1748774998 BIBMSYBCCSTXTP-UHFFFAOYSA-N 407.301 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCOCC1 1748848333 BKDQPUQRXXJCLR-LJQANCHMSA-N 407.518 1.671 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1749045193 XLIVEHXDHPJQAA-UHFFFAOYSA-N 419.576 1.592 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(OC)cc1 1749671100 ZAEZYONKHDNRKN-QZTJIDSGSA-N 424.505 1.882 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC2)C1 1749699153 ZYLDESZBLSIJEL-RXVVDRJESA-N 405.543 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749721929 WSQRUQFEKQNHCR-KRWDZBQOSA-N 411.572 1.161 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1752389036 UMSIRHQJMIZACX-IERDGZPVSA-N 413.478 1.759 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760148801 MNLJBWWCFSXLEY-GOSISDBHSA-N 413.478 1.327 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760184490 IWOQOACQCUZSIN-LJQANCHMSA-N 413.547 1.668 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1760204641 XVLSSBXWBAUYFF-UHFFFAOYSA-N 402.433 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2csc(CC)n2)CC1 1760259302 KBBXYUVQTAGEIN-INIZCTEOSA-N 400.552 1.799 30 10 HDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(N)=O)C1 1760412177 WUIJRKDZCAWOJF-ZDUSSCGKSA-N 400.483 1.920 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760426172 IAGKCAOVLPJAMN-UHFFFAOYSA-N 412.542 1.436 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCC2(C)C)nnc1[C@]1(OCC)CCOC1 1760558172 IFTYJDPDOWFXFX-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1760692868 FDPHKKYUFSFTLP-CYBMUJFWSA-N 420.477 1.716 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)o1 1761755166 VFVOGCURVMUHRO-GOSISDBHSA-N 406.512 1.916 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1763089312 JFWRZHPXUZJDFV-CQSZACIVSA-N 401.430 1.997 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCOC 1763657137 UOGZIQBWTYBUNQ-AWEZNQCLSA-N 400.483 1.990 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(=O)NC)c1 1764844840 KMUFPROGPWRUPR-UHFFFAOYSA-N 417.473 1.783 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1c(C)nn(C)c1C 1764909108 FDRJZCPYDGARSC-UHFFFAOYSA-N 422.541 1.479 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1766724907 ICCAMFZTNTZTGZ-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1767804349 GWBAGXHAWHXPOX-SFHVURJKSA-N 420.477 1.264 30 10 HDEE COCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769732418 IACSQYQWMUBMKY-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN(C(C)=O)C1 1770177894 VCGVOHKBEQLKOC-WNHJNPCNSA-N 418.542 1.856 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1770599114 BHQMODNVKYPKEW-SJORKVTESA-N 423.477 1.420 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C[C@@H]1F 1770634656 GDOBKFZJTUDIIV-QAPCUYQASA-N 412.469 1.860 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1772566894 YZVUVBWALRFOBE-UHFFFAOYSA-N 424.505 1.516 30 10 HDEE CC(=O)N1CCC2(CC1)NS(=O)(=O)c1ccccc1N2C(=O)c1ccc(C#N)cc1 1848461207 URCRYDXTYMSDKL-UHFFFAOYSA-N 424.482 1.836 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(-c4ccncc4)nn3)CC2)cc1 1848623812 BNFFFCCINSYPGY-UHFFFAOYSA-N 406.471 1.921 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)CC1 1852177658 ZCLGCIULXVVGER-LJQANCHMSA-N 407.518 1.911 30 10 HDEE COc1cccc(C#N)c1OCC(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1852228067 AQHILFXZWWYERA-HNNXBMFYSA-N 405.451 1.698 30 10 HDEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852463187 PCGLEDOFFGWRCJ-HXUWFJFHSA-N 418.563 1.373 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)c(C#N)c(C)[nH]1 1852886224 ZKZUHFUQEJJKPZ-JTQLQIEISA-N 403.801 1.871 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)[C@H]1CCN(C)C1=O 1852959849 KHZPDKRIXMSTOP-DLBZAZTESA-N 411.499 1.374 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)Cn3c(=O)sc4ccccc43)C(=O)C2)C1 1854408230 FENSCMNEPZZBRH-MRXNPFEDSA-N 414.531 1.384 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)c2cccnc2)C1=O 1854870029 NDRZKRLAGNSVTC-GOSISDBHSA-N 405.462 1.085 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN([C@H]3CCCN(C(=O)CC#N)C3=O)C2)cn1 1854996300 OGJXKNVDFGUPCD-MOPGFXCFSA-N 400.527 1.476 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@H](C3CCN(CCCC#N)CC3)CC2=O)CC1 1855059993 JBZWHRXXDKYAED-GOSISDBHSA-N 424.567 1.049 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855738017 OIXORRHOXNHAFM-SUMWQHHRSA-N 407.467 1.835 30 10 HDEE Cc1ccc(N2CCN(C[C@@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)nn1 1855890554 VNPVWYDHMLMJCK-SFHVURJKSA-N 404.474 1.468 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)OC1=O 1856125880 HJRIWMLRAUEZIV-CQSZACIVSA-N 413.402 1.627 30 10 HDEE C[C@]12CCC(=O)N1CCN2[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1857117470 PRIIUELJBBNTRC-OXQOHEQNSA-N 400.866 1.801 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)C2=O)CC1 1857275093 YULNQELBQYZFGZ-LJQANCHMSA-N 405.458 1.268 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)ccn1 1857323483 AWPZCIPYEUXDAL-QGZVFWFLSA-N 403.433 1.357 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871558038 PCAPHQUESBCGGA-UHFFFAOYSA-N 423.565 1.944 30 10 HDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 1872707602 YYFCVGSOJLWXLC-UHFFFAOYSA-N 405.436 1.042 30 10 HDEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593031 BWDODYOXPQGVGH-CQSZACIVSA-N 401.467 1.071 30 10 HDEE CC(C)(C)OC(=O)N1CC(C#N)(c2ncnc(O)c2I)C1 1884968591 SRATZOJQJOTIIY-UHFFFAOYSA-N 402.192 1.799 30 10 HDEE CN(CC1CCN(C(=O)[C@@H]2CSC(C)(C)C(=O)N2)CC1)c1ncccc1C#N 1891036814 RFTCFTMTDDCBDA-INIZCTEOSA-N 401.536 1.638 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1951334093 DVHAWIHCWLDFBW-MPBGBICISA-N 402.403 1.767 30 10 HDEE CC1(C)OB(C2=CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)OC1(C)C 1963796187 BSPRAVWIXCSEBR-CQSZACIVSA-N 401.359 1.697 30 10 HDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(C#N)s2)C1 1965825696 OOFRSBOIQZADIY-NWDGAFQWSA-N 401.510 1.922 30 10 HDEE C#CCN1CC[C@H](NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1994286533 HYOCSJYPUKFNSB-PMACEKPBSA-N 414.550 1.835 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1 2066583444 VYTLBAIDEJIREC-GOSISDBHSA-N 406.442 1.598 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC[C@H](C#N)C1 2140653969 JMXJXBVKNUQEGC-MGPQQGTHSA-N 404.558 1.407 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C(F)(F)F)CCCN1S(=O)(=O)N1CC(C#N)C1 2174780556 WADGUWWRFCLQBB-CQSZACIVSA-N 412.434 1.608 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174789005 LKTRFAOKMUILCB-RXBISOJRSA-N 420.557 1.479 30 10 HDEE COCCC1(C(=O)N[C@H](CCS)C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2180373741 PZUNWSFELGIBAK-CYBMUJFWSA-N 404.529 1.930 30 10 HDEE C#CCNC(=O)CNC(=O)COc1ccc(Br)cc1Br 2188583146 XDWCTDARDWFXTR-UHFFFAOYSA-N 404.058 1.456 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2cc(Cl)nc(S(C)(=O)=O)[nH]2)C1 2197747664 FTRUTQBHKKPNKB-UHFFFAOYSA-N 416.887 1.507 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813309 KBRMJTMXPMLZPD-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE C#CC[C@@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258950149 RPWFOUKNZYHMAR-SJORKVTESA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2267481372 OBMRSLUXTQYSFD-UHFFFAOYSA-N 406.313 1.812 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@](O)(CN)C3)c2Cl)OC1(C)C 2281937886 GDEBBKCCCQNWFY-KRWDZBQOSA-N 400.737 1.627 30 10 HDEE CCCC1(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2282310241 RBYMHNFBDSHLAS-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE C#CCOCCONS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325484 FVFSSFHNBYOFKJ-UHFFFAOYSA-N 401.315 1.215 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=[S@](C)(=O)C(C)(C)C 2282329953 TWNGCCIUZKMBNL-RUZDIDTESA-N 405.351 1.304 30 10 HDEE C[C@H]1CC[C@@](O)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282335937 WJEJGXXCERAEDR-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@H]3CN)c(Cl)c2)OC1(C)C 2282496900 JDAAGUXADIKPNT-TVQRCGJNSA-N 421.155 1.918 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(=O)O)C(C)C 2282841831 QDRNKDXXDBVVJV-ZDUSSCGKSA-N 403.331 1.743 30 10 HDEE CCN(CC)C(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848285 LPMXOUNULCGQBZ-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)CNC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852174 LSDASGHEBYEJCB-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)[C@H]1N 2282855206 AVQSSRSTXIOZNU-JMSVASOKSA-N 400.375 1.794 30 10 HDEE C[C@H]1CSCCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867681 BZWATLKXIDWPEL-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CCC1(O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282878735 KEKAYHBKTCNZKO-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282883514 BKONQILWLDKHEB-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@](C)(=O)CC2CNC2)OC1(C)C 2282884673 REMDYPSDWWVKGQ-RUZDIDTESA-N 420.387 1.053 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSC[C@@H]3C(=O)O)c2)OC1(C)C 2284407511 LXHPNTWVYGVXLO-LLVKDONJSA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCO[C@H]3C(=O)O)c2Cl)OC1(C)C 2284446102 SBKBNFSNHLDJRK-GXSJLCMTSA-N 401.677 1.673 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCO[C@@H](P(C)(C)=O)C2)OC1(C)C 2289231013 CQZSJMSJHQIGAE-NSHDSACASA-N 400.246 1.864 30 10 HDEE Cc1nc(C(=O)NCCS(=O)(=O)C2CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2290138375 ZFHRLILLCCPZPJ-UHFFFAOYSA-N 400.331 1.058 30 10 HDEE O=C(NCCNC(O)=C1N=CC=CC1=O)NCc1cc(F)ccc1Br 2297608724 BMQOKHWATWMMHE-UHFFFAOYSA-N 411.231 1.914 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339653099 GAXJSTNAATWHAL-QWHCGFSZSA-N 402.538 1.766 30 10 HDEE CN(CCN1CCC(C(=O)N[C@@H](CCS)C(=O)O)CC1)C(=O)OC(C)(C)C 2365138783 PKRSHLFCDOJEQC-AWEZNQCLSA-N 403.545 1.455 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H](CC)CNC(=O)OC(C)(C)C 2365208863 FAXQWCPRTVEMOU-ARFHVFGLSA-N 404.573 1.703 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1C 2365211316 NIPNLUGSVNPMHQ-SPYBWZPUSA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367798942 VXGSYSDCTRMDLK-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367807408 SSYXISWCUUPGIX-VCBZYWHSSA-N 400.541 1.292 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H](O)[C@@H]1C(F)(F)F)C(F)(F)F 2370251210 AGHYUADPDLHSLH-MYINAIGISA-N 404.229 1.900 30 10 HDEE CCOC(=O)c1ccsc1NC(=O)C[C@H]1S/C(=N\c2ncccn2)NC1=O 72435645 UOOPBGAKHIZOHN-SNVBAGLBSA-N 405.461 1.963 30 10 HDEE Oc1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1 254381162 VTKMKUNXUMLCNH-UHFFFAOYSA-N 400.439 1.007 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 429385729 LOIHDGZXPCAUIS-KRWDZBQOSA-N 419.913 1.075 30 10 HDEE N#CC1CCC(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 442723592 SLRVZXDVULFWFF-DQPZFDDXSA-N 400.479 1.940 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCCC1 443102985 QLBQHUFUGFOACZ-UHFFFAOYSA-N 423.919 1.761 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(c3nccn(C)c3=O)CC2)CC1 467178149 ZXZXLWXMBNXQNX-BQIYRTECSA-N 400.527 1.222 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H](CO)c2cccc(Br)c2)cc1 483136507 QGKSWXPPHXUNLC-INIZCTEOSA-N 402.248 1.900 30 10 HDEE CCN(C(=O)CN1CCC(C)(C#N)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 506030912 JGXVWHAMMBGRSB-UHFFFAOYSA-N 424.505 1.558 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 508947063 VVRHODOINCASBG-KRWDZBQOSA-N 401.467 1.724 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 523579845 JBZCJPSQATUERJ-CQSZACIVSA-N 403.529 1.664 30 10 HDEE Cc1sc(=O)n(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1C 523671468 MFPWWHBODDTFFP-HNNXBMFYSA-N 402.501 1.939 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)C1=O 525557185 CHWVXBGGGBHQFK-CZUORRHYSA-N 404.492 1.224 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](NS(C)(=O)=O)C3)c2C#N)C1 532978592 YHRUVIUAWKOYDE-CHWSQXEVSA-N 410.565 1.697 30 10 HDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 573172946 NGQKSHGRMPTRSZ-INIZCTEOSA-N 418.475 1.259 30 10 HDEE COC(=O)CCCc1nnc(NC(=O)N2CCN(c3ncccc3C#N)CC2)s1 581696051 QNYOWDOJEBLVFS-UHFFFAOYSA-N 415.479 1.655 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)N(C)C)CC1 604161326 YWCHSLIJEKKWJA-FQEVSTJZSA-N 401.555 1.481 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 609459047 OVELYKFCLZYXQY-IRXDYDNUSA-N 424.592 1.984 30 10 HDEE Cc1ccc(C(=O)Nc2cn(C)nc2-c2ccccn2)cc1S(=O)(=O)NCC#N 610777347 KQIUHWCWDSJUMP-UHFFFAOYSA-N 410.459 1.845 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 611541097 PEBILKHZXUEATF-SZNDQCEHSA-N 400.479 1.742 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 617057330 JJPXSDNJILIRHK-IBGZPJMESA-N 420.473 1.004 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669812736 WSQOGAFKPRLCEA-UHFFFAOYSA-N 424.509 1.838 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2F)c1=O 730803095 MEVLFAJSNKOYHL-UHFFFAOYSA-N 404.438 1.707 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 732503135 ADSXQOQKFBCJQQ-DJWKRKHSSA-N 404.835 1.485 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732696547 IUQUNAJRPAMDAP-KRWDZBQOSA-N 405.524 1.920 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@H](C)O)CC1 735832670 VKKJNWYMQFXJBC-YOEHRIQHSA-N 407.536 1.903 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 746195924 GAOOIWPMEJYTJO-MRCUWXFGSA-N 402.495 1.544 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](COC)Cc1ccccc1 746529625 DNLSTBAKDVAWLQ-QGZVFWFLSA-N 415.515 1.831 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)C(F)(F)F 748411756 FKZJVCSWUKSXSX-ZDUSSCGKSA-N 407.414 1.325 30 10 HDEE Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 769255696 WQPXCDUFGSUWBG-KRWDZBQOSA-N 410.453 1.516 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(c2nccn3cnnc23)[C@H](C)C1 771170310 GNPFQARQUZDNRF-OAHLLOKOSA-N 414.477 1.731 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCc2nnnn2C)C1=O 771549867 WHCDBTXOIRMHRR-HNNXBMFYSA-N 413.507 1.009 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774018202 SBDZAYDTJUMWAY-GFCCVEGCSA-N 406.432 1.337 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774040685 VKLMMPIRADAHQV-FCEWJHQRSA-N 405.520 1.954 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 774265262 XWXQQXQPJKTPBD-HOCLYGCPSA-N 407.467 1.153 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2)CC1 777294134 BEPNFMKOOZUWRU-UHFFFAOYSA-N 412.515 1.960 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(-c3ccc(F)c(F)c3)s2)CC1 780479003 AONUNOHFYHFVBM-UHFFFAOYSA-N 418.469 1.986 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 780946132 VPPOMTWVLHBWAI-HXUWFJFHSA-N 413.499 1.702 30 10 HDEE CCN1CCN(c2ccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)cc2F)CC1 783803037 BOIRYZPWMDTYGE-UHFFFAOYSA-N 424.436 1.945 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)COC(=O)CNC(=O)c2ccc(C#N)cc2)c1 791837374 BJLABMDZSFWCRT-UHFFFAOYSA-N 400.412 1.118 30 10 HDEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 795977126 RONKHZQCAHYMGQ-GFCCVEGCSA-N 402.432 1.388 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@H]43)CC2)o1 796281096 XJCLWHIGIDFXPJ-QZTJIDSGSA-N 416.478 1.784 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@](C)(O)CO)cc1 797617357 UWZTXWRRFDFDEN-TVJQZGFISA-N 412.512 1.144 30 10 HDEE C=CCN1CC[C@@H](OC(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)C1=O 798655082 XFABRMCSNRMKNH-WTXIUTQJSA-N 406.479 1.779 30 10 HDEE CC[C@H](NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)c1nnc2n1CCCCC2 804102501 ZXBDAJQHGSLYLP-INIZCTEOSA-N 410.478 1.768 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@H]1CCS(=O)(=O)C1 806460939 VXBROHICNQMMEI-ZFWWWQNUSA-N 409.489 1.027 30 10 HDEE C[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 808759572 SGHIYZOAGLORLA-HUBLWGQQSA-N 418.441 1.504 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=S)NCc1ccc(S(N)(=O)=O)cc1 809163748 FGMUFBCQSUAXCS-UHFFFAOYSA-N 418.544 1.729 30 10 HDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812028397 IKUOHNIHDOAWGK-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COCCO3)n2CC(=C)C)n1 812187743 DRRUJVGCCAVJMW-GOSISDBHSA-N 400.483 1.425 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2nccs2)n[nH]1 1084560087 QIAIRXWJDVZSTE-UHFFFAOYSA-N 421.512 1.244 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(C)(C)C 1133977173 OPQNSCFYBARXIJ-OAHLLOKOSA-N 404.488 1.884 30 10 HDEE CCOC(=O)C1([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1134595184 MGTCRKJCEBMLKB-DOTOQJQBSA-N 413.474 1.776 30 10 HDEE C[C@@H]1C[C@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CN2C1 1136149677 UPTUZJYMGJTNLX-NZSAHSFTSA-N 416.547 1.512 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O)c1cc[nH]n1 1139617288 NTLLBUJGRLOBLU-OIISXLGYSA-N 406.483 1.626 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CNS(=O)(=O)c2ccccc2N)cc1 1143799551 OFCQGIHAJSHGIE-UHFFFAOYSA-N 402.476 1.893 30 10 HDEE COc1cc(CCCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1O 1149002233 UPSGPOOMNWZYQF-CZIZESTLSA-N 403.435 1.375 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@]3(CCOC3)C2)C1 1154959216 SNPAAWLTUSHKLT-GOSISDBHSA-N 406.280 1.775 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)C(=O)OC 1155779481 MZMMNSJBKXBGHA-OAHLLOKOSA-N 405.378 1.832 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)cc1 1158447040 CPBXBNUWGOCNMM-UHFFFAOYSA-N 400.500 1.964 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CCN3[C@@H](C)CC[C@@H]3C)CC2)c1 1167298697 YADSNJCOSTWEJI-OALUTQOASA-N 411.550 1.806 30 10 HDEE COc1cc([C@@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1S(C)(=O)=O 1181315350 SNFJUTPCVRJTTK-ROHOOWMXSA-N 421.475 1.192 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1190264156 IACHLGRKTBPQJK-CYBMUJFWSA-N 406.298 1.770 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCN3CCO[C@H]2C3)cc1 1214686797 HUGDNNUVAJOUKL-ROUUACIJSA-N 408.524 1.430 30 10 HDEE C#C[C@H](NC(=O)NC[C@@]12COCCN1C(=O)OC2)c1ccc(Br)cc1 1230499621 ZSWDGXXYONDWSY-YOEHRIQHSA-N 408.252 1.644 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1248374567 CJSIAQUTTXQDOD-MSOLQXFVSA-N 412.494 1.056 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)OC)CC[C@@H]3C(=O)OC)cc2C1=O 1279587498 HKVYEWNCMXNULD-XJKSGUPXSA-N 414.414 1.035 30 10 HDEE N#C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1Br 1280361914 GPWNFXOPLLVCQF-CQSZACIVSA-N 421.276 1.628 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286305262 LFFRFUSYTQOKQT-AWEZNQCLSA-N 411.441 1.665 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(C)nn(C)c1C 1286423754 VZYUCNQQFTVAHZ-QFIPXVFZSA-N 410.522 1.792 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1286446047 CNKLYHWGOFVZSQ-AWEZNQCLSA-N 407.565 1.901 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)c(OC)c2)CC1 1286479130 KHFCMHQIQAODAY-IBGZPJMESA-N 422.533 1.544 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1286515372 XOXKKJSQNNYVQW-HXUWFJFHSA-N 402.568 1.555 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2 1286828938 ATMCNCWXBFQVSY-ZDUSSCGKSA-N 406.512 1.227 30 10 HDEE N#C[C@@]1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]2CC[C@H]1C2 1290861324 QYPNPXUDWJZRFJ-NJSLBKSFSA-N 402.476 1.076 30 10 HDEE C#CC[C@]1(C(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)CCCN1C(=O)OC(C)(C)C 1292514202 FTIZSPTZKICAOF-NPPFBWRTSA-N 405.539 1.837 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c1OC 1293084824 YXRQBPWGHZGUDT-INIZCTEOSA-N 418.494 1.937 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1296603911 APOVROGDLAYGNW-RTBURBONSA-N 408.478 1.241 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CCO1 1299157279 XPWCKSODDGMVRW-UAGQMJEPSA-N 414.441 1.210 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nccs2)CC1 1300722352 JCFKPOVRGIBLOF-MRXNPFEDSA-N 414.535 1.990 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1301213272 MFJWOZYHSGLHJV-GOSISDBHSA-N 407.474 1.239 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301228924 APRCCAJBURYLRS-CQSZACIVSA-N 402.524 1.903 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301491395 QNPGEHTTWVNHAT-HNNXBMFYSA-N 413.482 1.357 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CCC2)CC1 1301492071 WSIKBDRLFUEZAM-UHFFFAOYSA-N 405.506 1.793 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1301717084 QWAOJBCGAAERNE-QZTJIDSGSA-N 420.535 1.718 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([C@@]3(C)COC(=O)N3)c2)cc1 1303124875 JRWQDZPJEFVAPX-HXUWFJFHSA-N 413.455 1.805 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2)c(F)c1 1304660180 JKJFPMGBJNFWDM-NHCUHLMSSA-N 400.498 1.971 30 10 HDEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1306460834 FCVQFTLZUPGIED-WAYWQWQTSA-N 408.510 1.976 30 10 HDEE N#Cc1cc(F)c(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1Br 1306938043 WGVGAFSVRGMOIW-UHFFFAOYSA-N 423.242 1.257 30 10 HDEE N#C[C@@]12CN(Cc3nnc(C(=O)Nc4ccc(F)cc4)s3)C[C@H]1CS(=O)(=O)C2 1308100383 NPXBVSUNXUYSLK-GTNSWQLSSA-N 421.479 1.300 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1312354292 WHIAFBUIQRILCS-ZDUSSCGKSA-N 419.425 1.407 30 10 HDEE COCCOCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1316263137 VJCAUBFGEBFJHY-KRWDZBQOSA-N 403.458 1.790 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2CCCCCO)cc1 1316533424 PGHQAOROXALNPQ-UHFFFAOYSA-N 419.507 1.126 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@H]2CO)CCO1 1316540080 UBIGWQGQBXBALA-VQTJNVASSA-N 410.522 1.911 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)C1 1320906175 ZCQBCMANORLYKI-OAHLLOKOSA-N 402.538 1.949 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 1325205992 MJPJTPHTPULFPF-DNVCBOLYSA-N 407.492 1.092 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)co1 1347726882 FMNDCYZBHSGZGI-UHFFFAOYSA-N 403.445 1.303 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1352904943 MDQZSVDFUQKFKL-FUHWJXTLSA-N 408.495 1.418 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 1356278156 PHCXSVZIPIUCHX-KQIUPUNMSA-N 404.430 1.430 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@]2(C3CCCC3)CCNC2=O)c1 1357767387 RTAPRDXEXKYKOM-DEOSSOPVSA-N 423.513 1.556 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358911681 ARCSTWCFEJMNLW-KRWDZBQOSA-N 423.521 1.406 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358950932 CIZPGWVCALQYEJ-GOSISDBHSA-N 406.465 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1359044324 CAXTVZGRUXESLU-VGOFRKELSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359057445 ZLGJSWIKYOZAGE-MSOLQXFVSA-N 405.568 1.891 30 10 HDEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359180448 GBZVZMZRWDWAPW-HXUWFJFHSA-N 408.568 1.963 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCn2ccnc2C1 1359278182 KQWCOLLFSQIRHO-MRXNPFEDSA-N 401.515 1.514 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1359281677 GXNJVHRDJCOEFK-IAGOWNOFSA-N 423.583 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(O)(CC)CC)C1 1359322061 PCICFKBNFNVHDY-HOTGVXAUSA-N 412.556 1.513 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1435602808 RTVAVSKKBHBTAH-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE Cn1c(C#N)ccc1C(=O)NCC(=O)Nc1ccc(I)cc1 1436229954 OULWOSFDXAZQCI-UHFFFAOYSA-N 408.199 1.870 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1436252004 IJJMRLSIOQBKFK-MOPGFXCFSA-N 406.504 1.750 30 10 HDEE C#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CCCC1 1438848409 LCOVJUHOGAEFPS-UHFFFAOYSA-N 418.515 1.936 30 10 HDEE COCCNC(=O)Cn1cc(NC(=O)Cc2ccc(Br)cc2C#N)cn1 1444995832 APVTZPPKHGFBBT-UHFFFAOYSA-N 420.267 1.461 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1N 1449227438 JCZFSJSALWWJDY-GJZGRUSLSA-N 406.446 1.830 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@@H](O)C(C)C)c1cc[nH]n1 1454028739 KYENUPNBROHDME-MJGOQNOKSA-N 402.451 1.568 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)ccc1Br 1464012531 HCMUGWRWZXKDGE-TVQRCGJNSA-N 400.254 1.440 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464925615 OLDLABQDXZHZRG-ZLUHGAPXSA-N 412.874 1.665 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1N=c1cc[nH]cc1)c1cc[nH]n1 1467661452 BQNWBPMNDKKBIV-UHFFFAOYSA-N 408.418 1.893 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1469217283 ZPBXZKPJQDZHDZ-HOCLYGCPSA-N 410.492 1.224 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)NCCCC#N)C3)[C@@H]2C1 1469770317 YDTSBIAPLACUMG-ZNMIVQPWSA-N 407.471 1.514 30 10 HDEE Cc1ccc(C(=O)N2C[C@]34CCCC[C@]3(COC4)C2)cc1S(=O)(=O)NCC#N 1470500221 CPFWSKKPHYQHKA-BGYRXZFFSA-N 403.504 1.830 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3ncc4c(n3)CCOC4)CC2)cc1 1470711530 SLENFSSLGTVHDA-UHFFFAOYSA-N 406.490 1.838 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)NCCc3nnc4n3CCNC4=O)o2)cc1 1471861622 FPHRDCSLGQBNDB-UHFFFAOYSA-N 406.402 1.038 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OC 1475687981 IBQLSKIOIDLGGQ-CYBMUJFWSA-N 419.297 1.724 30 10 HDEE C#CCN(C(=O)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21)[C@H]1CCS(=O)(=O)C1 1479168213 VYAZJDFBCOFNRK-RKTXRCNFSA-N 423.332 1.919 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)C(C)C 1503110289 ZPLUIWPRUARGGZ-UHFFFAOYSA-N 412.542 1.748 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1503368663 SQBOBPKREZSYLQ-NRFANRHFSA-N 410.478 1.291 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1507638457 FRAOYPDNEMZGFH-QGZVFWFLSA-N 402.524 1.176 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1507678056 QMVQCKUSRODCDX-GOSISDBHSA-N 402.543 1.330 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1507691632 FNZVHIHLXLQTNC-UHFFFAOYSA-N 400.552 1.554 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=C)Br)CC1 1507716403 QJBZSSNSJDPVER-UHFFFAOYSA-N 423.359 1.860 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507788488 PVCOVHDKJLBOPV-GOSISDBHSA-N 417.311 1.889 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1507812253 KVKJNKAXCIWADH-LBPRGKRZSA-N 413.573 1.753 30 10 HDEE C=CC1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1507903211 AXYDLSVEBQYEJO-UHFFFAOYSA-N 420.539 1.741 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1507968678 XROFFSRYECTFLH-DOTOQJQBSA-N 406.556 1.813 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507981312 HPUAZDUFXUKDBU-OALUTQOASA-N 410.522 1.925 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1508091640 WEBILPBKFGCWCW-UHFFFAOYSA-N 406.494 1.441 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)noc2C)C1 1508109630 ULLQYHPIYOBKAM-MRXNPFEDSA-N 400.483 1.949 30 10 HDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1513461149 HGVUCRDFNMVQLU-SJORKVTESA-N 424.509 1.247 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)c1 1518827455 QXVJJKBBPXDHPM-HBMCJLEFSA-N 423.513 1.555 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC1=CCCOC1 1519160302 AZBZKTAKDMYASS-UHFFFAOYSA-N 411.466 1.639 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cn2)CCO1 1521128314 ATTQXBHNLBOEPW-CQSZACIVSA-N 412.841 1.591 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cncc(I)c1 1532113902 NOMSBFDRZIRMSL-UHFFFAOYSA-N 424.202 1.370 30 10 HDEE CCOC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Cl)c1 1538540434 WSCMSOOXBWBIOU-GTNSWQLSSA-N 411.867 1.919 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539053142 LIXLMDBKSLOTKT-ZACQAIPSSA-N 405.499 1.740 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539075674 DOXHKDXYPRCZSM-IBGZPJMESA-N 411.531 1.694 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1539148653 MDPZKCFBISRUIO-OAHLLOKOSA-N 413.507 1.192 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1539171713 NYIMBNHHKQKOFH-UHFFFAOYSA-N 417.477 1.414 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1539305679 LCSKHLITXMYOMI-VZCXRCSSSA-N 418.457 1.836 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)SC)CC1 1539484066 AYOLXFYVZOZFBG-MRXNPFEDSA-N 412.563 1.981 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1540033492 JWRZMGCHSQZIGT-GOSISDBHSA-N 416.570 1.881 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COCc2ccnc(O)c2)CC1 1540410694 GHCPTJOSHUTJSY-UHFFFAOYSA-N 409.402 1.772 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1540739069 PIGGTBKOWJIWJP-UHFFFAOYSA-N 413.459 1.791 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1540858166 KIVZLLNJGHIINU-HOTGVXAUSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1OC 1540869288 ICMWWNLEYUZCJS-INIZCTEOSA-N 412.494 1.219 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cnn(C)c2)C1 1540882881 QDKBDMQFCHRJMB-QGZVFWFLSA-N 401.515 1.564 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N[C@@H](C#N)c2cccc(OC)c2OC)c1 1543063276 KUTGYRJQOBFPNS-AWEZNQCLSA-N 405.432 1.593 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 1544078782 MGBSICUAHURWDY-OAHLLOKOSA-N 404.308 1.970 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 1544079935 ZNEBTNUDZTWOTP-UHFFFAOYSA-N 403.548 1.888 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1nnc2n1CCC2 1555557995 IZRRGKRGYVBGLI-HNNXBMFYSA-N 400.487 1.125 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCC1 1555753316 NRTPBRSAXUJUNZ-BBWFWOEESA-N 404.515 1.215 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1F 1555946363 ZRWAPTQVKGOZTL-CJNGLKHVSA-N 406.487 1.550 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](N3CCOCC3)C2)CC1 1556667525 CVIYCBUAHHADCO-IBGZPJMESA-N 405.539 1.960 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3(C#N)CCOCC3)C2)s1 1558775724 CQDLNWUWOPURMD-HNNXBMFYSA-N 411.549 1.894 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 1563533109 JSFLEZKQOMUNCN-UHFFFAOYSA-N 422.404 1.139 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1583238400 HTAYXLDHVXKIOA-MRXNPFEDSA-N 403.508 1.576 30 10 HDEE COc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1583745345 GPJYRYNRYUZTRN-UHFFFAOYSA-N 415.471 1.965 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC)ccc1Cl 1583821106 UPTJZCHJFCDLGQ-UHFFFAOYSA-N 400.884 1.665 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C2CC2)[C@@H](C)C#N)c1 1583902887 GYWWRIUUESEJHY-AWEZNQCLSA-N 406.508 1.350 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)CCOC1 1585020610 CXYMVLHVAHPEQQ-SFHVURJKSA-N 422.279 1.411 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCNS(C)(=O)=O 1587599901 SOJHEBABRZOUPN-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1587847012 ANRFZOSETGZBPQ-JOCHJYFZSA-N 419.489 1.970 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1594829085 CDULVCGKADZUBW-OXJNMPFZSA-N 421.498 1.164 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1594895666 MNULYQULBHUFMI-SFHVURJKSA-N 408.549 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595500644 AEXPVTOTJMONBG-RDJZCZTQSA-N 414.510 1.306 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595569924 RDVVYQTYLFYUJR-UHFFFAOYSA-N 403.531 1.117 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C2)nc1 1596977950 KPTKLFAYHNQWOW-OFNKIYASSA-N 405.502 1.993 30 10 HDEE N#CC1(c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)cc2)CC1 1602996742 QUCZKGSNFLHLDO-CZDRUDQFSA-N 401.488 1.183 30 10 HDEE C[C@@H](C(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1)n1cnc(C#N)n1 1606837068 MNHGBZYQVWKOQA-ZETCQYMHSA-N 418.177 1.731 30 10 HDEE C[C@H](C(=O)NCc1ccc(CC#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1611128956 VLCLRYUSDWYHIA-OAHLLOKOSA-N 400.479 1.837 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Cl)ncc3Br)C[C@H]1CS(=O)(=O)C2 1611164072 AMIYFAPIAOKXMJ-SDBXPKJASA-N 404.673 1.508 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)n1 1612493517 XPVLXHIWYHIGCQ-RTBURBONSA-N 400.462 1.060 30 10 HDEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NC(=O)c3ccco3)n2)c1 1616131077 DDEMLBVZHRWBRV-LFGUQSLTSA-N 417.425 1.985 30 10 HDEE O=C(NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1cccc(C#CCO)c1 1617226139 QKDQFNHXARTMGV-UHFFFAOYSA-N 404.410 1.322 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@@H]1C 1619984229 ZJSLBEDJQQVSOG-ZWKOTPCHSA-N 420.558 1.853 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1620052129 DVVLBZLNXLILPO-GCJKJVERSA-N 424.505 1.537 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1622295050 JDFCPIFAPZFUGE-MSOLQXFVSA-N 420.554 1.448 30 10 HDEE COc1cccc([C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)c1 1622395790 JMNSHCDORFNJKL-GOSISDBHSA-N 416.478 1.845 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)nc1 1625335524 HEOQXBODUIBMMN-AWEZNQCLSA-N 418.500 1.373 30 10 HDEE C=CCOC[C@H](NC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1626205046 VBTVQRBJXFMXJH-HNNXBMFYSA-N 400.472 1.263 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C(C)(C)c1ccc(C#N)cc1)CCS2(=O)=O 1627430115 MONAGEDRJNWQRD-LBKMDBTOSA-N 418.515 1.851 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2COC(C)(C)C)CC1 1627494278 VFNKGUSDNCIUON-UHFFFAOYSA-N 408.524 1.619 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1629537350 WYTGWMHFPHFDGO-UHFFFAOYSA-N 424.954 1.303 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1629732151 QYYJNMXBYYTRPC-QRVBRYPASA-N 417.506 1.893 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1630757451 DXYOBMNWDKECSJ-HUUCEWRRSA-N 408.499 1.731 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(N)=O)c1 1631311015 LKBBZNRSOZLHNM-UHFFFAOYSA-N 416.455 1.852 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)nn1 1632031467 JNZCGPCMOJJQRE-KRWDZBQOSA-N 417.535 1.993 30 10 HDEE COCC(=O)N1CCCc2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc21 1636211840 COEIHQZGARFODV-UHFFFAOYSA-N 406.442 1.852 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 1636660470 CYCNFNTUPYMFAW-UHFFFAOYSA-N 421.338 1.166 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1637390021 PSZDHCOLBRBRCA-JORMNFRLSA-N 402.476 1.846 30 10 HDEE COc1ccc(C[C@@](C)(CO)NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1OC 1637532977 BFYKGXDJXLMHLO-QFIPXVFZSA-N 411.458 1.415 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1638803717 KEGPBJFTHPKDBU-OAHLLOKOSA-N 401.486 1.492 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1640186393 IWMUKAVQEFKEAA-HUUCEWRRSA-N 408.476 1.481 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)/C=C\c1ccccc1C#N 1643560555 IICYTMKYGLAMAQ-KHPPLWFESA-N 414.443 1.917 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1 1644298294 FWPDLLJMNAVESF-CQSZACIVSA-N 405.442 1.907 30 10 HDEE COC(=O)[C@@H]1CN(C[C@H](O)c2cccc(C#N)c2)CC12CN(C(=O)OC(C)(C)C)C2 1644662177 PHQQWNPNEYRTKI-ROUUACIJSA-N 415.490 1.934 30 10 HDEE CN1C[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 1646255795 RDFAYZAZIHVRSH-CYBMUJFWSA-N 419.507 1.164 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CC(CCO)C3)nnc12 1649120788 LXZTUWRXJUSNBE-UHFFFAOYSA-N 413.503 1.600 30 10 HDEE N#Cc1cnc(N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 1651701789 DOCUENHXOIWUET-INIZCTEOSA-N 400.826 1.863 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2c(CC#N)cccc2C1 1654412856 YNNWNUFUTQIAPR-OAHLLOKOSA-N 424.526 1.736 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1655802329 LMKUYHFTXPOEMF-QGZVFWFLSA-N 415.494 1.346 30 10 HDEE CN(CCC#N)C(=O)CCN1CCN(Cc2ccc(Br)cc2)C(=O)C1 1659732843 OOHHIBFSTOFAJK-UHFFFAOYSA-N 407.312 1.855 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)nc1C(=O)OC 1664904348 YKTMYAULZHXXMO-UHFFFAOYSA-N 402.856 1.487 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1665175432 SZHPFGKTQXMMFY-ZDUSSCGKSA-N 406.298 1.770 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1666782652 PVTGXUNWJCYLCA-MSOLQXFVSA-N 408.524 1.478 30 10 HDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1674228088 HTYHNHVLVPSMNP-UHFFFAOYSA-N 412.581 1.658 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)C[C@H](CC)CC3)CC1 1676849016 AIQRBJCZEFUKHJ-CYBMUJFWSA-N 411.553 1.275 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCO[C@]4(CCSC4)C3)C2=O)cc1 1680025100 UBBMCZSNMSEILM-YLJYHZDGSA-N 400.504 1.971 30 10 HDEE CC(C)(C)OC(=O)C1CCC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1680692273 HRWFUFSNOVCRMO-UHFFFAOYSA-N 417.466 1.287 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3Cc4ccccc4NC3=O)C2=O)cc1 1681515102 FQLXHOHEFHZWLM-MOPGFXCFSA-N 403.442 1.916 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 1684425285 KQGHZWDJMXSASG-LJQANCHMSA-N 401.507 1.910 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@H](CNS(=O)(=O)C3CC3)C1)C2 1684754060 WPIGVVYIPMCORA-QAPCUYQASA-N 402.520 1.529 30 10 HDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 1685166000 IICDLRYOKWIRMT-UHFFFAOYSA-N 410.496 1.141 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)C1 1687593027 GSQFXNVISNBZSO-DLBZAZTESA-N 404.515 1.092 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1689839019 BRIQJBONUPXSTH-CZUORRHYSA-N 414.420 1.803 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1689937004 LOBOHMNFTYYERG-MOPGFXCFSA-N 414.554 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCOCC1 1689998193 DYOGBODDHQBIJI-UHFFFAOYSA-N 401.536 1.499 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1690003731 VXDIYILVZLLHJW-VGSWGCGISA-N 413.522 1.306 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1690497941 YVSKRWCJIMHZOA-QGZVFWFLSA-N 404.559 1.749 30 10 HDEE CC(C)Cc1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1692091335 SYBWXTLCCSTVHB-FMQUCBEESA-N 424.509 1.472 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1692659804 AHEDRYVYQBINPB-LIRRHRJNSA-N 417.539 1.075 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1696689586 SQPVOQLSOXWRPE-JOCHJYFZSA-N 424.505 1.714 30 10 HDEE CN(CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1696818601 FFRUFDDEOPSQRZ-MRXNPFEDSA-N 417.411 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnn(C)n1 1705577432 ZURAZSXDPQHDAG-UHFFFAOYSA-N 420.477 1.386 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1705653969 UNFOKSNBLHRZPM-IBGZPJMESA-N 406.600 1.184 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1705706031 OMTJUFPEPDVLPG-YLJYHZDGSA-N 413.526 1.447 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1705730002 FHMMGVBTQWWUSH-CVEARBPZSA-N 414.576 1.011 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705899385 QNFDGHXGVIKBGY-KSFYIVLOSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1705900254 WRUJQWLUDVOULD-UHFFFAOYSA-N 408.466 1.176 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCCOCC1 1705938372 WSMNWFLFDFHPJN-UHFFFAOYSA-N 420.535 1.993 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1706929886 OACRIGWITLMBJQ-BZUAXINKSA-N 417.441 1.701 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1708634257 HCWIJPKLCLETSL-HNNXBMFYSA-N 411.510 1.705 30 10 HDEE CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1710879208 AILQXFJTHZYBHY-LJQANCHMSA-N 419.555 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CCNS(=O)(=O)c1ccc(C)s1 1722303951 UXXQTUJFHRFHIS-ZDUSSCGKSA-N 411.553 1.621 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nccs1 1722396546 JMQRFNSYVVJBFH-MRXNPFEDSA-N 417.560 1.732 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccco2)n1 1722428550 XJILHQYNLNVHNE-UHFFFAOYSA-N 418.461 1.859 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1722429462 MKTVUBPVXCUJPP-RTBURBONSA-N 416.570 1.623 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1722451826 ORINUSKXEFAJAR-HUUCEWRRSA-N 415.585 1.116 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722453074 OHKMKJQMHNJTBR-AWEZNQCLSA-N 419.511 1.052 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722457926 SUUICKZQCQDCPF-UHFFFAOYSA-N 418.486 1.636 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722471720 OLVXNOJTIWKILX-UXHICEINSA-N 415.519 1.190 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1722554420 FOASUXLODQVJIX-BFHYXJOUSA-N 404.920 1.173 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)CC1 1722583661 SRWMEJMUHGRXQL-INIZCTEOSA-N 420.539 1.907 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC(F)(F)C1 1723933988 ICQJTAKHXNCRNY-YWPYICTPSA-N 420.461 1.766 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1729639485 PLNHVUJKEGCEGO-SVMVAKDDSA-N 424.505 1.319 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1740550167 HULODJGAPNVODX-WMZOPIPTSA-N 424.567 1.471 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OCCOC)C1 1740580504 AFBJQUDRTLOWRT-KRWDZBQOSA-N 412.494 1.971 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1740590311 CKNSUANZLOLOOG-KRWDZBQOSA-N 403.433 1.512 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1740605291 UHLGVGPXLGWHHZ-UHFFFAOYSA-N 409.537 1.295 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1740645385 DVURPKMKONDUDB-CQSZACIVSA-N 420.926 1.448 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC 1740733911 OEMMQKOXJBKQJH-LJQANCHMSA-N 400.508 1.398 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1740773642 ABCAOCAREIZQFB-AWEZNQCLSA-N 410.569 1.985 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1740887491 IRXYPQYEHVQPDB-VQIMIIECSA-N 407.540 1.903 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1740903632 FZHRHDMLCSRJBE-UHFFFAOYSA-N 401.559 1.997 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC)C1CC1 1740910169 KXQLLGPHYWCODT-HIFRSBDPSA-N 415.585 1.517 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)(C)C 1740941848 UWWSDXKVYJCNQB-HOTGVXAUSA-N 414.572 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1740987058 OKPPWPCYQFBXGG-IBGZPJMESA-N 403.552 1.898 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1741876178 CLWONMDBZTXWBA-GOSISDBHSA-N 424.549 1.994 30 10 HDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCOC2)cs1 1742572016 WYCFYNVCFDWRSE-IBGZPJMESA-N 402.524 1.915 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1745792853 ZONMRUNQQHAPMK-SFHVURJKSA-N 401.402 1.821 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1748677108 CPXFLIAIQKDINY-INIZCTEOSA-N 411.506 1.618 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCc1ccco1 1748779646 RRNGDBPLFFEKIB-UHFFFAOYSA-N 409.446 1.941 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1OCCN(C)C 1748841069 RQNWPQCOEHRLOS-UHFFFAOYSA-N 417.517 1.740 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1748855638 FTEVKCXDNABMCM-MUUNZHRXSA-N 415.544 1.254 30 10 HDEE COCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1749430744 COKHXGHNIPMGHQ-GJZGRUSLSA-N 420.539 1.679 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(CO)c1 1750060057 DAJAPZFTMDKAGV-KBPBESRZSA-N 406.512 1.025 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760121290 ANMCYDKKAHJAFG-WBVHZDCISA-N 413.503 1.621 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1760124636 UJJZHDOEFDJAHM-AWEZNQCLSA-N 409.487 1.346 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1760170954 SXCVBFVRVYOEAV-UHFFFAOYSA-N 421.505 1.613 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1760175985 WQLKLAFHBOYAMG-KRWDZBQOSA-N 422.537 1.436 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](F)COC)CC1 1760257910 BZDPXLHWKRZILQ-INIZCTEOSA-N 417.485 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760313122 JTCVNXYZFQOIHI-RYRKJORJSA-N 416.526 1.162 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCS(C)(=O)=O 1760319503 OALLQFTUNCKZKE-RDJZCZTQSA-N 405.524 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)s1 1760553945 MQSLBZGTNFCKFE-OAHLLOKOSA-N 423.564 1.836 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1760560389 ULYRDUSRZLWJTB-LSDHHAIUSA-N 416.617 1.338 30 10 HDEE CCC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1765628841 VEKTVBJBWANQBD-HIFRSBDPSA-N 422.511 1.407 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCN1CCOC(C)(C)C1 1769843348 HBVJKGHMRKRFCL-UHFFFAOYSA-N 413.526 1.817 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1770251305 KMGUREGIPKHUMD-MRXNPFEDSA-N 405.480 1.694 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCCCCO)CCO1 1770751361 HFEZSNFAXHPTIA-SFHVURJKSA-N 409.494 1.798 30 10 HDEE Cc1c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)nnn1-c1ccc(Cl)cc1 1849183520 VLOQDTJAPJIRTG-UHFFFAOYSA-N 408.853 1.852 30 10 HDEE N#CCCn1nc2c(c1NC(=O)c1ccccc1N1CCS(=O)(=O)CC1)CCC2 1852004882 REOHWVJBPNWMTH-UHFFFAOYSA-N 413.503 1.773 30 10 HDEE Cc1nc2c(c(N3CCC(N(Cc4cnnn4C)C(=O)CC#N)CC3)n1)CCCC2 1853477924 HDSCGAIGWALHQU-UHFFFAOYSA-N 408.510 1.704 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@@H]3CCc4ccccc4O3)C(=O)C2)cc1 1853878394 PBRIGZLVNJZVEN-NRFANRHFSA-N 403.438 1.806 30 10 HDEE CON(C)C(=O)C1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1853971774 OUQVFFHGARXXAN-LJQANCHMSA-N 412.490 1.350 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN(C)[C@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1853996699 APCCGAHUVWENAG-QAPCUYQASA-N 403.504 1.364 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855162313 FARVHFCAHYLILJ-HKUYNNGSSA-N 423.579 1.750 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855666462 BJBSJTJPZYTILM-STQMWFEESA-N 421.391 1.446 30 10 HDEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CCN(CCC#N)[C@H](C)C2=O)CC1=O 1856198222 GUHCLBKCWCBVSG-CABCVRRESA-N 402.882 1.974 30 10 HDEE COc1ccnc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c1 1856413406 GSGKXROCXQAEOE-AWEZNQCLSA-N 407.430 1.109 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@H](C)CCC#N)C(C)(C)C2=O)c(OC)n1 1856720654 WWFQUQXPWYFBPX-CQSZACIVSA-N 404.467 1.619 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@H]1CCN(C)C1=O 1857226246 WXOHVQLNGGSGBH-IRXDYDNUSA-N 401.511 1.480 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)C1CCN(Cc2ccccc2Cl)CC1 1861176895 MYODCJPZTLCGQP-IEBWSBKVSA-N 405.926 1.816 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)c1 1890119875 LAUNPZMFIJEXEE-GOSISDBHSA-N 419.533 1.818 30 10 HDEE COCCn1c(C(=O)N2CCC[C@@H]2C#CCN(C)C)cc2c(=O)n3ccccc3nc21 1890292614 RAPKSAXIOBLULT-KRWDZBQOSA-N 421.501 1.465 30 10 HDEE CC(C)(C)OC(=O)N1CCCCN(S(=O)(=O)N2CC(C#N)C2)CC(F)(F)C1 2174771879 SRQQSBNABXRRMT-UHFFFAOYSA-N 408.471 1.655 30 10 HDEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H]1CCS(=O)(=O)C1 2180092791 NZEWZRTYVXHSGC-CHWSQXEVSA-N 406.451 1.138 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@]1(C)COCCN(C(=O)OC(C)(C)C)C1 2199844856 WFDOGVPTANBJMZ-CRAIPNDOSA-N 403.545 1.975 30 10 HDEE N#CC1(CS(=O)(=O)NCCn2cnc(I)c2)CCCC1 2237125330 FGXVUZGIEQRNGQ-UHFFFAOYSA-N 408.265 1.491 30 10 HDEE C#CCN(CC1(CO)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 2238233343 ACODOMXGBQQVIQ-MRXNPFEDSA-N 400.541 1.118 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2243384189 LSRZZZIZZPRWPY-CHWSQXEVSA-N 406.292 1.115 30 10 HDEE Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247837421 RTPHAWHSUYIFII-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE Cn1nc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2248244189 DZNDXQMWQCGQAO-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2248406223 ZVUNDDVYOPZNNK-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248413268 UVNBRQOTEKJSTM-INIZCTEOSA-N 421.347 1.727 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@H](N)C#Cc1ccc(Br)cc1 2264171296 AKBZMQMLGXKYTN-RKVPGOIHSA-N 411.296 1.783 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267363985 RRYWXTROOMDOAZ-DEOSSOPVSA-N 408.376 1.619 30 10 HDEE CC1(CCNS(=O)(=O)Cc2ccccc2B2OC(C)(C)C(C)(C)O2)OCCO1 2267463656 BMANCHLQQBGSGN-UHFFFAOYSA-N 411.329 1.558 30 10 HDEE CN(C)S(=O)(=O)C1CCN(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2279225845 UFRUZWYOVRTMSY-UHFFFAOYSA-N 401.363 1.303 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282205944 YGRBMEIOBBKCJK-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CC1(C)C[C@@H](N)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343298 DHFCPNFECWLPMM-ZDUSSCGKSA-N 400.375 1.938 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1CO 2282419473 PLBIANKVDFJZPX-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE COC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282497641 SRLZDLQIKMQXBJ-SMDDNHRTSA-N 401.721 1.952 30 10 HDEE CC1(C)[C@@H](O)CC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498593 GVGSQQMQCLNYSF-KBPBESRZSA-N 401.359 1.875 30 10 HDEE CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502179 HMAWZAPTOPXDPW-AWEZNQCLSA-N 401.359 1.971 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2282502217 HXQMXBURDTWGPB-TZMCWYRMSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCO)CC(F)F)OC1(C)C 2282503892 HGXCGDWGERDJLA-UHFFFAOYSA-N 411.301 1.437 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H](O)C(F)F)OC1(C)C 2282828572 QQZJFQGMXYLBMP-NSHDSACASA-N 411.663 1.544 30 10 HDEE Cc1cc(S(=O)(=O)N(CCN)CC2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282837279 CYEODJFOVWMXJV-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE Cc1cc(S(=O)(=O)N2CCNC[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838745 UGQBTOJMIXYBPP-GFCCVEGCSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS[C@@H](CCO)C3)s2)OC1(C)C 2282849092 WIIIGWTUJIHRGH-LBPRGKRZSA-N 419.399 1.536 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)C[C@H]1O 2282868455 NJJFUUWZNWDHCL-JHJVBQTASA-N 401.359 1.827 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415767 QDYCDBFBGOXOHL-NSHDSACASA-N 401.315 1.745 30 10 HDEE C[C@@H](ONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284416069 TZEOYNMRUKVJSR-SECBINFHSA-N 405.665 1.322 30 10 HDEE CCN[C@H](C#Cc1nccs1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363541565 KDJSUFYCFDMQNF-HUUCEWRRSA-N 413.565 1.897 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2365206149 FVUGQWCYRKEDHL-HRCADAONSA-N 402.557 1.721 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2375785801 TWWPHWQLSRUJEB-HBUWYVDXSA-N 402.513 1.514 30 10 HDEE N#Cc1ccc(NS(=O)(=O)c2ccc3onc(C(=O)N4CCOCC4)c3c2)cc1 65115452 UVSPJZWABLOVHA-UHFFFAOYSA-N 412.427 1.973 30 10 HDEE CC(=O)NCCN/C=C1\C(=O)c2sccc2N(Cc2cccc(F)c2)S1(=O)=O 105338074 ULUTUHGSSKVFKX-MHWRWJLKSA-N 423.491 1.987 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)CCS(C)(=O)=O 404846380 LWYBOGHTCUMNJY-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 436621819 FEVWACPFIDYSAP-QGZVFWFLSA-N 416.441 2.396 30 10 HDEE CN(C(=O)CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 441158787 SJNNELYWJOJJIL-UHFFFAOYSA-N 412.515 1.918 30 10 HDEE N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)ccc1Cl 441540274 AYXJJTIEPVQTHX-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)n1 446189716 WIIMCNAXIZSJJF-UHFFFAOYSA-N 411.466 1.745 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 447217110 LCOXSEOUZRQKKC-UHFFFAOYSA-N 420.429 1.801 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)NCCOc2ccc(C#N)cc2)c1 461192711 GJGIRTCVTMGWBC-UHFFFAOYSA-N 403.460 1.292 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(-n2cncn2)cc1 464818310 LLFCASXXKNZGSK-CVEARBPZSA-N 417.477 1.910 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNc3ccc(C)c(C#N)n3)cc2)CC1 468710341 DZPPBWKOXVQKSK-UHFFFAOYSA-N 407.518 2.459 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 475783648 WBQMXSBZFGANRT-UHFFFAOYSA-N 410.927 1.434 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1CC(N2CCCCC2)C1 485002407 NJCQTKYJRQTJNA-UHFFFAOYSA-N 407.478 1.519 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)ccc1F 488756618 DTPHEXCUJZLMMO-AWEZNQCLSA-N 412.240 1.965 30 10 HDEE COC(=O)C1(CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCCC1 489618074 NFBDCKRFSQZBET-UHFFFAOYSA-N 406.508 1.529 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN([C@H]4CCCC[C@@H]4O)CC3)cc2C1=O 491866257 OKJRIXRCDSESTH-PMACEKPBSA-N 411.502 1.966 30 10 HDEE COc1ccc(CN2CCN(CC(=O)N3CCOCC3)CC2)cc1OCCCC#N 506005422 VYUCVCKENFCQGS-UHFFFAOYSA-N 416.522 1.354 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508883583 BQRDJGMQZBWBMQ-UHFFFAOYSA-N 415.461 1.705 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)CC1 510337141 ZFWAJYMYLQTHTL-GOSISDBHSA-N 411.510 1.465 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1CC 516828948 WTONSJBFGOZDOZ-UHFFFAOYSA-N 413.543 1.975 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 517507452 YUCGEWWHYICWPK-UHFFFAOYSA-N 414.487 1.677 30 10 HDEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(c2ncccc2C#N)CC1 522870831 IYHYXEDSQMCIAE-OAHLLOKOSA-N 412.454 1.443 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 525096051 NUKZLRSLDAUHBT-MRXNPFEDSA-N 403.508 1.283 30 10 HDEE C=CCNC(=O)CN1CCN(CCN2c3cccc4cccc(c34)S2(=O)=O)CC1 532741352 YNGZCUWGVBJSCD-UHFFFAOYSA-N 414.531 1.268 30 10 HDEE COc1ccc(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1C#N 533468385 NMQPNCKDUZFMIO-HXUWFJFHSA-N 413.455 1.938 30 10 HDEE Cc1c(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1C 534758350 WFIWUGQGIJXNMM-UHFFFAOYSA-N 401.492 1.066 30 10 HDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C[C@@H](C)C#N)C1CC1 536375751 VNLMMWAZAANVDU-LBPRGKRZSA-N 401.510 1.770 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4nccnc34)CC2)cc1 544471661 YCBRDOPKMLDGNT-UHFFFAOYSA-N 407.455 1.648 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N3CCN(S(=O)(=O)Cc4ccon4)CC3)CC2)c1 556874570 PPHCTVSGZBSDDG-UHFFFAOYSA-N 418.450 1.391 30 10 HDEE COc1ccccc1CC(=O)N1CCC(NS(=O)(=O)CC2(C#N)CCC2)CC1 569651007 ZMKRPNJGKWFCCN-UHFFFAOYSA-N 405.520 1.842 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)c1 584552384 YPJABRREIWNJQT-KURKYZTESA-N 404.492 1.496 30 10 HDEE CC(C)n1nc(N2CCCC[C@@H]2C/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 585611162 RVYLKGNWOUEFGS-OAHLLOKOSA-N 415.519 1.922 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 586004978 OQYJJEKZAGQSIX-KRWDZBQOSA-N 416.437 1.575 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1Cc1ccccc1 610955173 VHNBVGNSSXZLDB-UHFFFAOYSA-N 415.474 1.953 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 610987332 CIEFFQVGPQYTGI-VXGBXAGGSA-N 419.411 1.932 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cn3ncc4ccccc43)CC2)o1 730637591 DZNNREKMCRYSFI-UHFFFAOYSA-N 408.418 1.096 30 10 HDEE Cc1sc2ncn(CCC(=O)NCCN/C(O)=C3/N=CC=CC3=O)c(=O)c2c1C 732153768 OZJIDJIWOYCSDS-MSUUIHNZSA-N 415.475 1.108 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 732217973 TUHAKRNTRZIOFX-ZDUSSCGKSA-N 411.423 1.537 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCN1C1CC1 732650871 KFUORJMOVLXLTP-IUODEOHRSA-N 401.398 1.286 30 10 HDEE C=C(COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(=O)OCC 734028270 IFEXWFFDROQRJH-YRYLYKBFSA-N 400.431 1.452 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 734293020 CUIGJZOIHQAQDF-HUUCEWRRSA-N 403.460 1.237 30 10 HDEE Cc1ccc(N2CC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 745850638 AMBXGASOPUQRCF-IBGZPJMESA-N 404.474 1.899 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 748611635 QHSXMXXPAHRCLS-NXNVCVFFSA-N 404.394 1.795 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CCCCC1 760387736 GXWNZRIQHHNFHV-UHFFFAOYSA-N 414.487 1.876 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)cn1 764434771 YGIDCBMTDGDDNC-JKSUJKDBSA-N 406.427 1.782 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C#N)ccc2O)C1=O 771594079 IBUGFPVSYVCWSO-OAQYLSRUSA-N 408.414 1.987 30 10 HDEE CCN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 773468088 MCTFKEPYVWMLPT-OAQYLSRUSA-N 410.426 1.955 30 10 HDEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)c2)o1 779195042 QSFRXVQPMGGPDJ-UHFFFAOYSA-N 412.427 1.916 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCC#N)C1=O 784125383 OWFYSNQIZVDDKP-KRWDZBQOSA-N 412.519 1.861 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1C#N 787480004 AWBCKDSSKUMLKE-UHFFFAOYSA-N 404.430 1.389 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCC2(N3CCCCC3)CCN(C)CC2)n1 789038163 HSGQLNXFFLUATH-UHFFFAOYSA-N 400.571 1.998 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CSc2nnnn2C2CCCC2)n1 790108937 IXSGXBHFSBNQDN-UHFFFAOYSA-N 403.512 1.385 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2ccnc(C#N)c2)NC(=O)N[C@H]1c1ccccc1 795967664 PDOJFEQOUCDVFS-SFHVURJKSA-N 406.398 1.981 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)c(F)c1 804161048 KDCOCWLPTKXXGP-UHFFFAOYSA-N 414.359 1.231 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)cc1)C(F)(F)F 810517194 LJQSUCVBVVYPJA-LLVKDONJSA-N 407.370 1.819 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1 914595851 QMLSZOYQXIHREE-CYBMUJFWSA-N 402.428 1.911 30 10 HDEE N#Cc1ccc(OCC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 918840938 MWGUAFHEPJOVST-UHFFFAOYSA-N 421.453 1.901 30 10 HDEE N#Cc1cccnc1N1CCN(Cn2ncc3cn(-c4ccccc4)nc3c2=O)CC1 919938735 YZXPDGJQSAIZBB-UHFFFAOYSA-N 412.457 1.629 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)c1 1084326853 VOIKBZGIAUXZJC-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(CC#N)cc2)C1 1124552912 SDJUPRXAWGOVIX-FOIQADDNSA-N 419.503 1.973 30 10 HDEE C=CCC1(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CCOCC1 1126003312 LZJNCDXDCGADOL-UHFFFAOYSA-N 408.524 1.475 30 10 HDEE N#CCc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 1130161256 DUZWFSPCECTMBI-UHFFFAOYSA-N 417.462 1.843 30 10 HDEE COC(=O)C1=CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1131196193 WWTKSERXBLOIFM-KRWDZBQOSA-N 417.487 1.337 30 10 HDEE C[C@@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)N1C(=O)NC2(CCCC2)C1=O 1132575633 IEULJLAEPANHQI-AWEZNQCLSA-N 406.446 1.995 30 10 HDEE COC(=O)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cc1cccc2ccccc12 1136746695 FMSBBQUHROHWES-MRXNPFEDSA-N 420.425 1.122 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1[nH]c2ccccc2c1C#N 1142077761 IFESKLCKERWERG-HNNXBMFYSA-N 403.460 1.620 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(N)(=O)=O)CC1 1151090781 FEAQGNBHIIESKD-CQSZACIVSA-N 404.533 1.020 30 10 HDEE Cc1ccc(C(=O)NCCS(=O)(=O)N2CCCC2)cc1B1OC(C)(C)C(C)(C)O1 1157404686 AJIAZYZJWYGVBI-UHFFFAOYSA-N 422.356 1.450 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)c1 1157557994 VDKBTGAPGUVQSW-MRXNPFEDSA-N 416.503 1.509 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncn(C(C)C)n1 1164503999 PRAVXDJWQAUELD-AWEZNQCLSA-N 404.496 1.951 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1165588701 XFBFXEFASCQRCI-CYBMUJFWSA-N 412.471 1.492 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@@H](O)C1 1190945328 GOMUWRWRPJPHRG-ZDUSSCGKSA-N 415.899 1.814 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)c1 1191075898 DJNALZVCSRDYRS-QGZVFWFLSA-N 405.520 1.293 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)N(CC)CC)CC3)cc21 1209773519 GTPNZRYDBLWJFI-UHFFFAOYSA-N 420.539 1.958 30 10 HDEE C#CCN(C(=O)NCC1(S(C)(=O)=O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1227695923 KFJNCNAVZINCOJ-UHFFFAOYSA-N 413.540 1.608 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234023392 HHDIWLIEODPFGO-ZWKOTPCHSA-N 418.519 1.662 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1nnc2n1CCC2 1286307034 ZBFGZSQWQWQKGS-HNNXBMFYSA-N 407.478 1.910 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC1(O)CCC1 1286370687 PTDOMOVJFKCCQB-UHFFFAOYSA-N 402.524 1.613 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCN(CC)CC1 1286405843 ITCDOXHGRBEWMX-HXUWFJFHSA-N 407.566 1.630 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1286438398 YWVXPQUSYMODRA-OAQYLSRUSA-N 406.527 1.833 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCOC1 1286458980 GCDJBDMCUZAKDU-QFIPXVFZSA-N 422.489 1.573 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OCC)CC1 1286469888 NSMIGDBGNACEFN-UHFFFAOYSA-N 411.510 1.014 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1 1286475511 AVJJWVMFVYGSAX-UHFFFAOYSA-N 420.517 1.504 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)CC1 1286638002 RMGBITZSUHSPKE-JKSUJKDBSA-N 419.555 1.504 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CCC(=O)NC 1286741729 QDQCZTSTXZEOGW-UHFFFAOYSA-N 421.505 1.601 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2ccccc2)C1 1286768959 IQOPWHABYBBFQL-WBVHZDCISA-N 405.524 1.870 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1286773753 RHHFOKFTCNVDAS-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286787023 AOAIAFGYBGHGEW-OFJJUDJNSA-N 417.535 1.458 30 10 HDEE CO[C@H]1CC[C@@H](C)N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1287763649 VEYSPKFIUNRHGS-QAPCUYQASA-N 405.520 1.985 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1288321819 MFDAGDCXNKRYDF-FXAWDEMLSA-N 412.450 1.560 30 10 HDEE CO[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1C(F)(F)F 1289207430 TXZGWDHXYHHIIX-PEYYIBSZSA-N 402.394 1.790 30 10 HDEE CCN1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1292984993 AYXBGZHUIMMQBI-WUZYXKQASA-N 419.570 1.527 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1293093915 OABFTWPJKZVBJD-AWEZNQCLSA-N 420.355 1.509 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(O)(c3nn[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1296956510 ZFWLUXRWRKVKCR-SFHVURJKSA-N 406.487 1.356 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCC[C@@H]1C 1297188453 LVHUKZKEGKZXNR-QKKBWIMNSA-N 412.494 1.901 30 10 HDEE CN1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1298881418 FGJRXHZRVZMJHF-FGZHOGPDSA-N 412.513 1.962 30 10 HDEE C#CC[C@H](NC(=O)CCC(=O)c1ccc(I)cc1)C(=O)OC 1299179649 UTZIRNGPIYQOJJ-ZDUSSCGKSA-N 413.211 1.935 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1 1299737557 XEPIHHYCLNVSHE-VIFPVBQESA-N 402.354 1.491 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300382477 VURARPWLYFJJAQ-LJQANCHMSA-N 416.570 1.924 30 10 HDEE COc1ncc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c(C)c1Br 1300575119 CSXHYPSIVRSZTN-UHFFFAOYSA-N 408.212 1.324 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C)cc(C)c2)CC1 1300698095 NBCHIYSMOJTNAU-FQEVSTJZSA-N 406.534 1.844 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1C 1300780764 WJDUVWJKHXLSBW-YIOZNXECSA-N 409.556 1.553 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1)C1CC1 1301322712 LSWVVVOKKIDMPS-FUHWJXTLSA-N 402.543 1.885 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1302023531 JJHSAXZUUQQSNY-RYQLBKOJSA-N 407.515 1.672 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C3CCC2(CNC(=O)OC(C)(C)C)CC3)C1=O 1302198845 XHGBLHITIDVFQD-UHFFFAOYSA-N 420.466 1.012 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1 1303761557 GAKLSKZENWGMAE-OXQOHEQNSA-N 404.488 1.834 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3cncc(C#N)c3)n(C)c2)C1 1303861077 IRIVITPINMQLME-AWEZNQCLSA-N 401.492 1.642 30 10 HDEE C#CCC1(NCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CCOCC1 1308090800 WVQOAKBLAARFNS-UHFFFAOYSA-N 401.532 1.976 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1ccccc1S(=O)(=O)N(C)C 1309032108 HIYHMSRCGFDEOG-UHFFFAOYSA-N 411.480 1.735 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1314529845 CWEURPJGGHMQOD-INIZCTEOSA-N 405.480 1.117 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1314940486 ZYVAJEIYRDFRIX-IRXDYDNUSA-N 421.505 1.304 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@@H]1C 1316128128 DHELZXFCNQJVFD-KRWDZBQOSA-N 421.509 1.265 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1358960616 INLXRGDBXBHQRJ-KRWDZBQOSA-N 417.535 1.717 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1359010657 VVRADCIWXBUQIR-SFHVURJKSA-N 407.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@@H](C)C2)CC1 1359038506 YQPFYXIBLGTXJI-LJQANCHMSA-N 424.597 1.627 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1359049331 MTCWJDNIDMMLMU-UVPYHEFZSA-N 409.581 1.489 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359121363 KONBLMNEELQZFQ-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359226243 ANGCTBABEQMXSD-SJLPKXTDSA-N 413.526 1.624 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1359289833 OMJFILPBLWZKMU-UHFFFAOYSA-N 414.485 1.583 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1359303278 IZWVUAOBRJLBJZ-HOTGVXAUSA-N 420.583 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccco1 1359334919 UUQBIUSYNGXLDV-OAHLLOKOSA-N 421.523 1.792 30 10 HDEE C=C(CO)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1441943714 DWKNYVRQENKURT-UHFFFAOYSA-N 400.216 1.124 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)[C@H]2CCC[C@@H](OC)C2)s1 1453280099 HCHYLLGZOLPZSG-SQWLQELKSA-N 416.565 1.437 30 10 HDEE C=CCNc1ncc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)s1 1453531974 DVWDVKBODUEBDY-GOSISDBHSA-N 412.512 1.469 30 10 HDEE C=CCC(F)(F)C(=O)N1CCN(c2ncc(I)cn2)CC1 1454553794 MLBQSFXCLPRCSH-UHFFFAOYSA-N 408.190 1.941 30 10 HDEE N#CC1(CNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CCOCC1 1457105493 DBQQGLFDFZLMBM-UHFFFAOYSA-N 400.460 1.354 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(CC)CC1 1457842049 WURSUBUONXIPFV-AWEZNQCLSA-N 402.923 1.303 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCSC[C@@H]1c1nn[nH]n1 1467284299 KWTDNZXOFBOMGX-QWHCGFSZSA-N 409.516 1.793 30 10 HDEE C=CCCOCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1469634649 WPELZORGIUHAFL-CABCVRRESA-N 417.528 1.007 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cc(O)nc(S)n3)C2)C1 1469723860 WSWARYLJQNKHJU-DKXWOSEQSA-N 419.507 1.874 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)C1 1469729473 MYWDXVSCXWJIAL-FZKCQIBNSA-N 424.498 1.307 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](O)C(F)(F)C1 1469932054 LAIOLKFOEMWSTR-DZGCQCFKSA-N 415.462 1.512 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1470634091 QEGQUTRFMLUSSF-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1475399915 BMIGWILQNKWVTB-JKSUJKDBSA-N 416.544 1.425 30 10 HDEE Cc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1478516782 POEGEHVYOBDXHP-TXPKVOOTSA-N 402.476 1.068 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NC[C@H](O)COc1ccc3c(c1)CCC(=O)N3)C2 1479158449 HVOGMTBHFYWYIR-MOPGFXCFSA-N 420.469 1.649 30 10 HDEE CCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNS(C)(=O)=O)CC1 1497777597 GWXZAOFLDNUWDP-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1504962855 SSRFVXYYWBWLMM-MSOLQXFVSA-N 420.558 1.853 30 10 HDEE CSCCCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1505256102 ZHZUJUBHNOWCOP-HFUDNHEJSA-N 420.539 1.498 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507592874 ZPVYBKNZKGHWOZ-QGZVFWFLSA-N 404.478 1.236 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507630228 VGZXIYPESVPAFE-INIZCTEOSA-N 417.535 1.639 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCn1cc(CO)nn1 1507644270 DUIOGSSGHCNBJH-UHFFFAOYSA-N 415.457 1.938 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1(=O)=O 1507671736 OPDNAARIWMPRKY-LJQANCHMSA-N 411.531 1.694 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1507853047 GHVWFIADKHFUKX-LLVKDONJSA-N 405.908 1.030 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1507955024 USEOWFVBLSQAHY-MRXNPFEDSA-N 417.539 1.263 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1508079795 DHCKFMUUGWYEAO-INIZCTEOSA-N 407.482 1.285 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncn(C)n1 1513033577 ZAWABJRPVQIUHG-HNNXBMFYSA-N 406.498 1.562 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1525975360 YLCAMNBELXVTPI-IKGGRYGDSA-N 409.464 1.598 30 10 HDEE C=CCn1cc(CNC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)nn1 1529264847 LLBQOBNJGWXEGD-RXVVDRJESA-N 413.478 1.897 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC1 1529311908 CGPAIPKXORKXLQ-HIFRSBDPSA-N 401.529 1.998 30 10 HDEE C#C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1529521140 BASWGDVXZMGSEB-MRXNPFEDSA-N 419.275 1.980 30 10 HDEE Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2C)ncc1C#N 1529875510 IEKDKELLNUZETO-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(OCc3ccccc3C#N)c2)C1 1530851460 LJPRWLCPSUPHCZ-UHFFFAOYSA-N 414.487 1.358 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)c(Cl)c1)CCS2(=O)=O 1537446864 DJTHBFBWCXARGD-TXKKKEFDSA-N 410.879 1.840 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1539362114 PHMJXXKLECJTIR-IBGZPJMESA-N 420.517 1.859 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCOCC1(C)C 1539415716 GERZFGWGCHAPGM-GOSISDBHSA-N 405.543 1.369 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCOCCOC)CC1 1539444659 SLXQSPNWADKDJY-UHFFFAOYSA-N 401.486 1.893 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539512327 BTFCPGHMVTYDTP-QGZVFWFLSA-N 413.551 1.260 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1539954870 HLSTZMAEHWPLIG-SFHVURJKSA-N 421.509 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@](C)(CC)C1 1540869176 DVNMPBAVZYIJDX-FQEVSTJZSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1540871760 SVZNETKQPPROTM-MRXNPFEDSA-N 416.526 1.066 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1540900282 QDFATYGDHZQIFN-MRXNPFEDSA-N 417.535 1.603 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1541726176 VBMLMCRJUJKCII-QUCCMNQESA-N 423.489 1.302 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCOC 1546577158 GUDWAODFEFCWIV-GOSISDBHSA-N 411.510 1.110 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1554481080 DINSFMHFVMWRNM-QZTJIDSGSA-N 410.478 1.337 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1555047335 LTRTVAWDJKISEG-MDOVXXIYSA-N 401.442 1.936 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1555992821 CILBNQYISZARJN-MRXNPFEDSA-N 401.492 1.748 30 10 HDEE CN(C[C@@](C)(O)c1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557113141 AVBGMDRRMJTKLG-HXUWFJFHSA-N 401.488 1.481 30 10 HDEE Cc1ccc(C(=O)N2CCOc3ccc(O)cc3C2)cc1S(=O)(=O)NCC#N 1557628683 IDRIIEAGKCNCPN-UHFFFAOYSA-N 401.444 1.537 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)NC(=O)CO2)C1CCN(C(=O)OC(C)(C)C)CC1 1558369993 FJGCDKFVFYDAJM-UHFFFAOYSA-N 414.462 1.887 30 10 HDEE O=C(C1=CCS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633767 JLLPWGNMCOLGDF-OCAPTIKFSA-N 413.286 1.971 30 10 HDEE Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)n1C[C@H]1CCCOC1 1565630153 SWRRJTAJJWEJAP-BSBNDGSWSA-N 400.479 1.788 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1565815904 WUHHXWWJMPXJAG-KLHDSHLOSA-N 411.424 1.140 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1565889229 FXTWZKWDHARJPA-AWEZNQCLSA-N 408.499 1.779 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OC)C(=O)OC 1568616175 QBZNPNJYTVDWBM-VXGBXAGGSA-N 406.863 1.633 30 10 HDEE COC(=O)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(F)c1 1585573818 JXXKMTUUXXFIBQ-UHFFFAOYSA-N 405.407 1.079 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1587975296 WLPHOJRJLNVGIL-UHFFFAOYSA-N 407.478 1.034 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](F)COC 1587989474 KHWIQMULAGDSAQ-CABCVRRESA-N 411.478 1.640 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN(C)CCOC 1588205357 JJGWXGWBQDVOHH-UHFFFAOYSA-N 409.490 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1588228617 HUERMHMASFPICH-NHCUHLMSSA-N 412.582 1.661 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C2CC2)N(C)C)CC1 1588732865 IFECJYWXPPIWPT-LJQANCHMSA-N 415.586 1.292 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC(=O)NC2CCCCC2)CC1 1588946910 IOZIBHPSMUBAHR-UHFFFAOYSA-N 414.554 1.645 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1589197992 NJHUPPBKOGFEOS-GOSISDBHSA-N 402.524 1.638 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C(F)(F)F)O1 1594204820 UCKXNPXRPKJFOI-BXUZGUMPSA-N 419.425 1.684 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccoc1C 1595550710 HXEGNJQIMRZTAE-OAHLLOKOSA-N 407.496 1.020 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CC)CC1 1595835544 WIQGMPZDPLUVAJ-HNNXBMFYSA-N 401.529 1.223 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](CNC(N)=O)C2)C1 1596033020 YJTVUNPCZNFMTD-GFCCVEGCSA-N 420.311 1.664 30 10 HDEE N#CCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 1596320641 SQKIZLIFRRCLRE-UHFFFAOYSA-N 404.423 1.560 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1n[nH]c(C)c1I 1603299821 BUBYAQGVGBLQKL-UHFFFAOYSA-N 408.199 1.938 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@H]1CC[C@@H](C2OCCO2)O1 1611039190 CJFKMDLFARJISL-INMHGKMJSA-N 401.467 1.086 30 10 HDEE Cc1ccc(S(=O)(=O)NCCn2c(C(C)C)nnc2N2CCO[C@@H](C#N)C2)s1 1612156670 GHLURPSSSPHZER-AWEZNQCLSA-N 424.552 1.479 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1616346306 HILJTQSREJLIND-ALTPTNCPSA-N 404.467 1.417 30 10 HDEE C#CCNC(=O)CN1CCN(C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 1618171022 IMGVQJNTAKOEBS-MRXNPFEDSA-N 400.306 1.100 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1622328437 YLPQTGPDQVFJTJ-LIRRHRJNSA-N 406.487 1.899 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)cn1 1622334792 FPQGUEUWIPIVPT-UHFFFAOYSA-N 410.253 1.339 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1622652015 VZSZOKDUZAXHDT-AWEZNQCLSA-N 406.261 1.667 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)[C@]1(C#N)CCCOC1 1623493183 VVFZQXJVDWXOTA-FQEVSTJZSA-N 418.498 1.610 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1626047091 YPASCHGBDIZIJL-OALUTQOASA-N 403.523 1.902 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)cc1C#N 1629106791 SZGGKLOTILFXQO-GFCCVEGCSA-N 420.491 1.889 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)COc1cccc(C#N)c1 1629539976 MCGBISCRWBDFGW-FQEVSTJZSA-N 405.451 1.052 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCC(CO)(CO)C1 1630552876 DZAVJEOERXFHPM-SFHVURJKSA-N 415.490 1.596 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1631730129 KTIFBKNQSVKIBJ-XJKSGUPXSA-N 409.508 1.804 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(CC(N)=O)C1 1637733238 SPCCFTITTNDGQF-PIMMBPRGSA-N 406.508 1.054 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ncnc(O)c3Br)C2)nc1 1638910672 DRVNKJKXAHMZTA-NSHDSACASA-N 403.240 1.928 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1638993712 SUTYXIFLYAAZRE-INIZCTEOSA-N 410.517 1.089 30 10 HDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1639493598 POZRJBJKKNUOAV-ZDUSSCGKSA-N 412.361 1.135 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 1639963334 VZLCZUWMBXQRSG-XMSQKQJNSA-N 406.442 1.517 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN2CCCC[C@H]12 1640445731 SFCGRXSMVOFEOZ-IAGOWNOFSA-N 404.536 1.638 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c(=O)nc1O 1641033414 AUKQIACSQIDEJK-UHFFFAOYSA-N 418.335 1.455 30 10 HDEE C=C[C@H](O)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123424 LNSHMPIDAZGXHG-RDJZCZTQSA-N 419.526 1.720 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)c2ccc([N+](=O)[O-])cc2F)c1=O 1641145841 PMNTUBUOVFBCBZ-UHFFFAOYSA-N 400.366 1.482 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)c1 1641569879 LWSFJVWQZDGDDN-SIJIIQCFSA-N 420.409 1.172 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1642992825 TZLBKKDZSKJZCN-IBGZPJMESA-N 401.426 1.609 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1643516829 SYHZALXHSFKZKV-RTBURBONSA-N 400.475 1.789 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 1644080697 AHCHZLNZTJJSGZ-MRXNPFEDSA-N 418.475 1.625 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc3cc(OC)ccc3c2)CC1 1644284662 BFEMMITTYNWTJZ-UITAMQMPSA-N 413.499 1.473 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1648014057 LOAKVZINDJBXRY-QLFBSQMISA-N 403.545 1.619 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C(C)(C)C 1648369434 JFUUZVYOMBSORH-UHFFFAOYSA-N 405.564 1.870 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNc2cc(C#N)nc(C3CC3)n2)CC1 1651513889 FCDGRQBJMRYZFC-UHFFFAOYSA-N 412.519 1.774 30 10 HDEE N#CCc1ccccc1S(=O)(=O)NCc1ccccc1OCCN1CCOCC1 1653807350 HWTXDVKAODPBCG-UHFFFAOYSA-N 415.515 1.942 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1654036852 NIDQJERTYROEDW-INIZCTEOSA-N 415.538 1.952 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OC 1655603217 YUNQMJAQDOZJGC-MRVPVSSYSA-N 410.267 1.140 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCN(CCC#N)CC1 1657634153 FORXLTUULWDQAC-UHFFFAOYSA-N 408.528 1.066 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nnc(O)o3)CC2)CC1 1658631192 HQLXALIIKAPTQP-OAHLLOKOSA-N 416.507 1.425 30 10 HDEE C#CCN1CCC(NS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1664311955 WPXJKRDPBXGPSV-HXUWFJFHSA-N 419.547 1.805 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1669405339 ZFWPSWOIWJOHEY-INIZCTEOSA-N 417.487 1.851 30 10 HDEE C=CCCSCCNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1682532552 PVXHZULCYZJTRK-AWEZNQCLSA-N 412.556 1.815 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)CC1 1683822758 BNUWIUFHMWEZPE-QAQDUYKDSA-N 404.536 1.618 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 1683841930 CZDPPVGTAKMETR-LJQANCHMSA-N 404.536 1.126 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1689826553 QGLPRXCNOOPMRF-KSMMKXTCSA-N 423.514 1.393 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1689854534 CBAZDUDGYXGYNT-QGZVFWFLSA-N 412.513 1.630 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1F 1690104325 SZWIJWRFRVWHHV-KRWDZBQOSA-N 420.510 1.762 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC(C)(C)C)CC1 1690124672 QWMUIONDXZHKQF-QGZVFWFLSA-N 402.543 1.232 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690248278 MDEGCUMTXNZBNF-LNLFQRSKSA-N 403.527 1.649 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1690265297 MCAGMVLJWNQVTK-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1690451754 OMYYFWGCILPTSQ-CQSZACIVSA-N 413.544 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690727284 ZJJWWFJFTHYYKM-IRXDYDNUSA-N 401.536 1.957 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1694120039 FWFIYAFANMSKIL-OPAMFIHVSA-N 422.537 1.863 30 10 HDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)C1 1695009718 FDJFKJPXAIWREC-SFHVURJKSA-N 423.521 1.838 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC)C1 1695956206 IJXTUAXLBYQBMM-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1696022571 DDGPQRXLIJKPRW-FOIQADDNSA-N 416.482 1.435 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1696634147 XLXKMIWANYRLRE-YJBOKZPZSA-N 410.544 1.194 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCCCO)CCN1C1CC1 1698492525 HKRWNHCFABSFJW-SFHVURJKSA-N 415.542 1.130 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCN(C)C 1705552350 KFWCVPKGPPKTAY-UHFFFAOYSA-N 412.542 1.100 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@H]1C 1705580089 DAMPROIRLQHARV-MJGOQNOKSA-N 402.502 1.753 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](COC)C1 1705733143 JSXUPSHFVMDFDS-KRWDZBQOSA-N 424.509 1.986 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705806253 ABMJBLLKSGAPQR-INIZCTEOSA-N 424.571 1.494 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1705821878 LCHAHTDQGUBADO-UHFFFAOYSA-N 400.531 1.957 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705889776 CYNNRGAKLJWBOY-SFHVURJKSA-N 408.506 1.615 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N2CCOCC2)C1 1705925808 UTFHFSLUMNDADY-SJORKVTESA-N 405.499 1.160 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCCC2)C1 1705929805 YGAVNBIZIZESTI-RBUKOAKNSA-N 416.570 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(F)F)C1 1705931933 GBDDXIOBZAKIMQ-ZDUSSCGKSA-N 414.482 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C)C1 1705937727 COKLDUKXMICPOL-QGZVFWFLSA-N 420.535 1.991 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1706076550 FTIUYXKINWTYJH-RDTXWAMCSA-N 410.478 1.913 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(F)(F)Br 1706625482 NEISZANAGZYMHO-VIFPVBQESA-N 407.219 1.133 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1 1706656224 ONNJBPGLWOSOMC-KRWDZBQOSA-N 418.523 1.370 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711085439 HNXWOVCWDNPOKZ-QGZVFWFLSA-N 414.535 1.945 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1712228895 UDCUMQQGLSJVEG-ZDUSSCGKSA-N 409.450 1.700 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(O)CCOC2)c1 1722304924 AWZPCYWWIVQIJE-JOCHJYFZSA-N 411.506 1.783 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722306317 IITGWGPUSHSTGI-INIZCTEOSA-N 402.499 1.641 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722363273 ZTRNIOGHTGQNQP-HNAYVOBHSA-N 403.508 1.469 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722364143 JFVFYAARWUCSML-LPHOPBHVSA-N 413.547 1.664 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722371457 WOQJZKLRQPVDRN-HRCADAONSA-N 410.565 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)COC 1722379815 ZGOZVWRWPCZUQG-INIZCTEOSA-N 414.535 1.594 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CCCO1 1722427694 RRWJFPSSYNDJIZ-HXUWFJFHSA-N 417.535 1.925 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2ccn(C)n2)CC1 1722434204 MVMSNVHEBKVFSG-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2C)CC1 1722441945 UZQOPTKNLCLPQJ-UHFFFAOYSA-N 406.534 1.821 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722699683 MFSAUUUGTYQISJ-MRXNPFEDSA-N 415.469 1.700 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)F 1730832396 SSTDQYPLNXJJCA-CYBMUJFWSA-N 414.457 1.513 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)CCO1 1731186804 SJWCSZNRPLFIFM-MRXNPFEDSA-N 411.422 1.108 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)SC 1740681537 OVAPKSREYPHZKC-HNNXBMFYSA-N 412.523 1.758 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC[C@@H]1C 1740734357 ZONAUKACAWILME-SIKLNZKXSA-N 411.554 1.853 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740799554 OWIYUQTXFBUWGZ-UWJYYQICSA-N 421.542 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2csc(C)n2)CC1 1740992156 BURSXDXIEGELFL-UHFFFAOYSA-N 424.596 1.528 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1741046251 ZIAMRKLSONXLLN-LJQANCHMSA-N 410.478 1.291 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1748744613 BXIZSWYVXATYQI-UHFFFAOYSA-N 403.512 1.009 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCN(C)S(=O)(=O)CC 1748794378 URBWTQKOSIXBDL-UHFFFAOYSA-N 407.515 1.749 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C(C)C 1748838174 XUNYSBOZWTXHMW-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(O)(CCC)CCC)CC1 1748971514 SUWOUXKVOZBNIJ-UHFFFAOYSA-N 404.559 1.503 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCN2CCC(O)CC2)CC1 1748991176 RSJIDGPNOYZINQ-UHFFFAOYSA-N 400.571 1.538 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCOC(C)(C)C)CC1 1749001687 YQRYOCPEXXCDFJ-UHFFFAOYSA-N 418.542 1.197 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(OC)CCOC2)CC1 1749005364 VKNYIEFQWNBJRS-IERDGZPVSA-N 403.527 1.563 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749126645 FJZDEPZQNBEECC-INMHGKMJSA-N 405.524 1.878 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1749228493 APIDJBWYZJUSPV-KRWDZBQOSA-N 407.540 1.903 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1749599364 CQSLQYHLFGLBEL-OAHLLOKOSA-N 409.512 1.472 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1749668597 ASBAFOVXDAFGPV-RBUKOAKNSA-N 413.522 1.953 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(=O)N(C)C)o1 1751495255 VSEDBJAVAJDAMA-UHFFFAOYSA-N 420.477 1.528 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CC1CCS(=O)(=O)CC1 1760176677 QHLBICSSTAWSQO-UHFFFAOYSA-N 402.520 1.794 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1760181274 RPXFKYKFAXFZBK-NCPUXXIWSA-N 422.551 1.523 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1760185509 YMCPODDLVRDEBQ-SFHVURJKSA-N 413.503 1.480 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1760188591 PLAPHEKZAFSDFI-JKSUJKDBSA-N 420.560 1.827 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H](C)N2CCN(c3ccccc3)CC2)CC1 1760256896 LHGGKLPXAUJAKQ-HXUWFJFHSA-N 407.566 1.552 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760316978 YZOBTXKXUJMQTE-YESZJQIVSA-N 411.572 1.853 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760357504 JZGMEQMQRQMZSF-VAMGGRTRSA-N 419.570 1.922 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760936544 ZIILTMHTDMGWBD-GJZGRUSLSA-N 416.448 1.783 30 10 HDEE CCCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1764562670 GANKXNXKAPNZAI-FQEVSTJZSA-N 416.457 1.930 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1770058346 HKRAPGGHMASRQB-FOIQADDNSA-N 417.466 1.511 30 10 HDEE COCCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1771113472 ABVMPWUNNXDTPK-UHFFFAOYSA-N 402.455 1.126 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cccc(F)c1)C(C)C)[C@H]1CCN(C)C1=O 1849206122 YXFUGNPTKNCJQZ-IRXDYDNUSA-N 411.499 1.374 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1849305693 MAEOWLDAKLFTFY-UHFFFAOYSA-N 403.435 1.936 30 10 HDEE Cn1ncc(C#N)c1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1852705620 IMDCSUCONKYSMD-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE Cc1ccc(OCCN2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)nn1 1852722444 XPQZGZAHDIRFFT-UHFFFAOYSA-N 405.462 1.380 30 10 HDEE Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3[nH]ncc3C#N)CC2)c(C)c1 1853031942 DVULYMYLXJLZIM-IBGZPJMESA-N 406.490 1.852 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1C 1853177033 CELRPXOTTNWKEP-UHFFFAOYSA-N 410.478 1.335 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@@](C)(c2nc(C3CC3)no2)C1 1853544909 IDBIIXWXTBPUGM-HXUWFJFHSA-N 400.483 1.893 30 10 HDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)c2cc(=O)n(C)c(=O)n2C)c2ccccc21 1853637516 PBBLSUJIYXJORM-CQSZACIVSA-N 409.446 1.160 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853821327 GCNWEQNSLHOADE-SJORKVTESA-N 400.479 1.074 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1CC(=O)c1ccc2c(c1)OCO2 1854236665 OVXWTAUHOHFNSZ-AWEZNQCLSA-N 405.410 1.843 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(CCCC#N)[C@@H](C)C2=O)cc1 1854281885 WTGHMDWVYKZCRR-INIZCTEOSA-N 405.520 1.774 30 10 HDEE CC(C)c1oncc1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854337151 RFNJIGXKUJGIDR-KRWDZBQOSA-N 409.446 1.959 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854555315 QYDVXLDLVBBEJZ-RDJZCZTQSA-N 411.458 1.570 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4ncccc4n3)C(=O)C2)C1 1854940523 DWNJPFLAPMMINW-IRXDYDNUSA-N 406.490 1.681 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)[C@H]3CCCO3)C2=O)CC1 1855592138 BNFKINKSUOFWHZ-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)Cn2nnc3ccccc3c2=O)C1=O 1855832009 IFNVCESSHVMRIA-VQIMIIECSA-N 409.490 1.740 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2=O)CC1 1855909114 HGBGUJCXDCQYDX-MOPGFXCFSA-N 411.506 1.552 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1Cc1cn2cccnc2n1 1856267658 YPJNYSZZCHTXAV-MRXNPFEDSA-N 402.458 1.793 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@H]4CCOC4)C(=O)C3)C2)s1 1856310074 ZWAAFLCMTFLSHF-CVEARBPZSA-N 402.520 1.291 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)C1=O 1856451427 IPLZKGGEGTVZKA-MAUKXSAKSA-N 400.454 1.932 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CCCC[C@@H](N(C)CCC#N)C3=O)CC2=O)c1 1856452052 PEWJIEQOKPVPDG-VQIMIIECSA-N 412.490 1.801 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CN3C(=O)COc4ccccc43)C1=O)CC2 1856533954 UDYHPINMFUWCKH-DOTOQJQBSA-N 408.458 1.165 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccnc(OCC)c2)C1=O 1856739180 AOVDOSHRHHSJCF-SJORKVTESA-N 400.479 1.330 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857143049 BFCMBHHIRHDDBV-AEFFLSMTSA-N 402.470 1.642 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 1857220748 WTBPJTNJQGSJAK-RDJZCZTQSA-N 405.462 1.277 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1857491201 ZLGWPLWQPZTHFZ-MOPGFXCFSA-N 419.547 1.865 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2cc(OC)ccc2OC)C1=O 1863717231 DFCSAPJUQYSXHS-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3cccnc3C2=O)nc1C 1866244008 FRHHJJGZGTXUNT-UHFFFAOYSA-N 400.416 1.814 30 10 HDEE N#Cc1nnn(-c2ccccc2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1870155587 VAMCYVPNHWMQAI-UHFFFAOYSA-N 417.341 1.282 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871497309 IUVYEKZAZPQNTJ-UHFFFAOYSA-N 421.427 1.744 30 10 HDEE C=CC1(NS(=O)(=O)c2ccc(CC(=O)O)s2)CN(C(=O)OC(C)(C)C)C1 1885018792 SCEOONYICKLKLJ-UHFFFAOYSA-N 402.494 1.829 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)CCCC(F)(F)F)s[nH]2)OC1(C)C 2110093317 DVNBGNVVTBYDGB-UHFFFAOYSA-N 401.241 1.343 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)[C@@H]21 2243686028 GKCOJJLECHWHST-SOUVJXGZSA-N 408.304 1.925 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819635 IPHFSEDXYAYDRQ-STQMWFEESA-N 418.303 1.543 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247822311 HKGIAQIYJJGZFC-GFCCVEGCSA-N 423.323 1.005 30 10 HDEE CN1CCN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)[C@@H](CNC(=O)C(F)(F)F)C1 2247915243 XYWSLYOGTYRJHJ-LBPRGKRZSA-N 419.253 1.434 30 10 HDEE C[C@H](NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2247921421 OOOMOBKOOULPHN-NWDGAFQWSA-N 423.323 1.146 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247923351 XFQPGBWKCSRCJP-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C(=O)C1 2251308500 ZLQNCOZLGLSUEH-CMDGGOBGSA-N 423.319 1.370 30 10 HDEE C#C[C@]12C[C@H](CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2260229647 OGETZJOZHYNNHA-TXPKVOOTSA-N 406.460 1.184 30 10 HDEE CN([C@@H]1CCNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267706362 WVWBDJORDKQJOM-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE COC[C@@H](CF)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709576 DQONOMFUNRQJQY-SECBINFHSA-N 413.729 1.964 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282321112 RYADUCVIEWZKMY-RUZDIDTESA-N 422.403 1.362 30 10 HDEE C[C@@H]1C[C@@H](O)[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282329561 ODTOFPICDWXUTD-YRGRVCCFSA-N 401.359 1.827 30 10 HDEE CCCN1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341448 SFRSWQSEHZGIHU-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN(C[C@H]1COCCO1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282492424 QYDCQEUYPQMASQ-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE CC(C)SC[C@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502656 OGXILMDYDKJGLS-LBPRGKRZSA-N 403.379 1.528 30 10 HDEE CC(C)C[C@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504551 QSEQKCKFMRMJOA-AWEZNQCLSA-N 403.375 1.874 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282525007 HYBRSRLFJRVBEV-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282626900 FHSJLUFCICFACH-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CON(C)CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830833 AJLOLRJGAWXOBH-UHFFFAOYSA-N 404.363 1.517 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@](C)(CO)C(F)(F)F)s2)OC1(C)C 2282848992 VFYDNCMOOPSTOV-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE CC1(C)C[C@H](O)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870222 OVFVFNNFTZULIX-ZDUSSCGKSA-N 401.359 1.722 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CN[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282871327 FGJLASRYBODKPM-GXFFZTMASA-N 400.375 1.693 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284393812 PTFIMMBCPDKJPN-JTQLQIEISA-N 403.693 1.733 30 10 HDEE CSC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404380 XNQYNRKZBMNVRQ-NSHDSACASA-N 421.371 1.283 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@@H]1C(=O)O 2284405086 GKKHPJINTCLWOG-AXFHLTTASA-N 401.315 1.435 30 10 HDEE COCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)ccc1F 2331265903 AZLVIXPMUCRAAQ-UHFFFAOYSA-N 416.276 1.828 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362564542 SLCWLJYSVQXPNH-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)N2CC[C@@H](O)C2)OC1(C)C 2369893693 ACVMZCBVYVLRNY-SNVBAGLBSA-N 422.765 1.102 30 10 HDEE COc1ccc(/N=C2/S[C@H](C(=O)O)CC(=O)N2NC(=O)c2ccncc2)cc1 5675726 ORQNQJCRLFMISZ-AOMYARPXSA-N 400.416 1.841 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 27900981 FNQLUFYKJNPLQS-UHFFFAOYSA-N 422.451 1.093 30 10 HDEE CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 56057202 QMSPHWWVWAOFKU-UHFFFAOYSA-N 405.929 1.694 30 10 HDEE COC1=C(OC)C(=O)C([C@@H]2COc3c(cc(OC)c(OC)c3OC)C2)=C(OC)C1=O 67913387 WMZRGAYGZBGMMG-NSHDSACASA-N 420.414 1.820 30 10 HDEE biogenic NC(=S)NN=C1C[C@@H](n2nnn(-c3cccc(Cl)c3)c2=S)[C@H]2CO[C@H]1O2 254566097 CVYJFYQUCKADBU-UTUOFQBUSA-N 411.900 1.327 30 10 HDEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)NCC2(CC#N)CC2)c1 430374833 IDPQSDRFQKPNLM-CQSZACIVSA-N 406.508 1.653 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cn(CCC#N)nc1-c1ccncc1 435123004 DETGKODWUOCVJL-YRXWBPOGSA-N 423.473 1.784 30 10 HDEE Cn1c(O)ncc(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)c1=O 435228395 ZCALSAXLJQAWHP-UHFFFAOYSA-N 400.445 1.754 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1ccc(C#N)c(Cl)c1 441193860 IGVORRLDKOYLHU-LMSBXDPUSA-N 419.865 1.965 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 466240546 DHBSBUDMIGBDEY-LJQANCHMSA-N 422.489 1.959 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)CC1 468396605 XLGDDGATAQSGTI-LJQANCHMSA-N 416.522 1.292 30 10 HDEE CCN(CC)CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481244848 CSZCZOUEQMVJDO-INIZCTEOSA-N 406.552 1.805 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 487341128 WOTKQZVJXBYIMM-NXEZZACHSA-N 421.397 1.312 30 10 HDEE CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)nc1 488857364 LYZFYVWQQWTBES-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491717462 FZWWJLBYAZBJER-UHFFFAOYSA-N 422.535 1.796 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1=O 501329150 FZRQWAUAZNFKLL-WPGHFRTFSA-N 409.471 1.746 30 10 HDEE CCN(CC)CCNC(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505263784 HHNSXOSUQUUHPN-UHFFFAOYSA-N 413.522 1.849 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3OCC)n2C)CC1 508970278 PRSBYHCTOOYKSI-UHFFFAOYSA-N 414.510 1.217 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCOC2)CC1 514826716 HCIURFUFACMWFT-KRWDZBQOSA-N 416.489 1.970 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 521516670 ZMGYTOZBUMSBJZ-FQEVSTJZSA-N 411.506 1.156 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C3CCN(c4oc(C)nc4C#N)CC3)nn2)cc1 530299696 HVMGRUBHAHEXFW-UHFFFAOYSA-N 421.461 1.977 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC1CCC(CN(C)C)CC1 544218870 JBPJCDAIVLTXCD-UHFFFAOYSA-N 402.495 1.759 30 10 HDEE COc1ccc(Br)cc1[C@H](NS(=O)(=O)N(C)CCC#N)C(=O)O 548238410 HINWFVXPZHLFOB-LBPRGKRZSA-N 406.258 1.263 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)C)CC1 549422550 AIMPTDXQHBQSBI-UHFFFAOYSA-N 414.558 1.220 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 549495194 KDLATUMZTDDJTJ-GJZGRUSLSA-N 421.461 1.100 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 562163096 DJRWHURQYUTLRD-QGZVFWFLSA-N 418.519 1.134 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NC3CCC(C(=O)NC(N)=O)CC3)CC2)c(F)c1 577898391 PQHMXNFSZVNOMS-UHFFFAOYSA-N 415.469 1.784 30 10 HDEE CN1C[C@H]2CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)[C@H]2C1 590010445 ITEXTEQQQKXFAK-WBVHZDCISA-N 410.478 1.091 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)NCCSCc3ccccc3C#N)CCN2C1=O 610706158 FRKFCSFOXFYMEY-INIZCTEOSA-N 401.492 1.469 30 10 HDEE Cc1sc2ncn(CC(=O)N3CCN(c4ncccc4C#N)CC3)c(=O)c2c1C 619105658 GCYLFNLMQJVGTF-UHFFFAOYSA-N 408.487 1.690 30 10 HDEE C#CCN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 729332870 ASDRLQPRPJQXCN-GFCCVEGCSA-N 408.373 1.623 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 731213793 SKYFASSQXIYCCB-ZFWWWQNUSA-N 418.437 1.885 30 10 HDEE O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 731862682 JVFSQZIGCDKBBP-LNVKXUELSA-N 418.453 1.726 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732697189 VRKLAEACDZIBEB-QGZVFWFLSA-N 405.524 1.921 30 10 HDEE CC[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 732702657 VXRZTHQGZZQHKN-HKUYNNGSSA-N 413.522 1.986 30 10 HDEE Cc1c(NC(=O)[C@H](C)OC(=O)c2ccc(C#N)nc2)c(=O)n(-c2ccccc2)n1C 734600591 FGWPFUJVETTYSY-AWEZNQCLSA-N 405.414 1.935 30 10 HDEE CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 735945590 UWJOCTBUMUPHCW-UHFFFAOYSA-N 418.475 1.701 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@@H]2CCC[C@@H]2O)CC1 745332654 VPFWURNAGDHQTL-HIFRSBDPSA-N 414.418 1.159 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN([C@H](C)C(=O)N2CCCC2)CC1 755935619 DWKBACBBDQVDPE-QGZVFWFLSA-N 407.522 1.711 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758641753 MJZNNWPAKDBMBV-GOEBONIOSA-N 423.491 1.439 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 758759727 BRLLCUNRLHESED-UPJWGTAASA-N 408.459 1.677 30 10 HDEE CC(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 763683480 IIUQUQOEAUIGEC-OAHLLOKOSA-N 420.535 1.365 30 10 HDEE CCNC(=O)C1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 764064553 PBILIDBVMDGWIT-PGMHBOJBSA-N 407.496 1.099 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)OCO4)cc2C1=O 775314095 OJMPGRBDGCTNBP-UHFFFAOYSA-N 414.395 1.316 30 10 HDEE N#C[C@H](C(=O)CN1CCN(c2ccc(F)cn2)CC1)c1nc(O)c2ccccc2n1 775559379 DVYJTNVTPQMDDC-MRXNPFEDSA-N 406.421 1.868 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)[C@H]2CCCCN2S(=O)(=O)CCC)CC1 790841438 QCCGBFCJFRUOEZ-MRXNPFEDSA-N 402.513 1.911 30 10 HDEE C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCN(CC(F)(F)F)CC1 792445846 QYIGZFPEFWKPJF-QIVXWBPLSA-N 402.417 1.682 30 10 HDEE C#CC[C@H](Cc1ccccc1)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 795334234 QZPMBSCILXHHIS-YLJYHZDGSA-N 413.543 1.605 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)CC1 798229234 KCSRDWFDHLBURT-UHFFFAOYSA-N 404.430 1.024 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)n1cnc(C#N)n1 798746720 ZHMYJTORLQWWOR-ZDUSSCGKSA-N 405.418 1.956 30 10 HDEE N#Cc1cc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)ccc1Cl 1136925102 JNAIUWRJEAIQIY-UHFFFAOYSA-N 418.925 1.902 30 10 HDEE CCNC(=O)CN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1141467982 OZFRJVDQMJLUJA-MRXNPFEDSA-N 409.531 1.244 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 1142655541 INSYRTBEDZECGQ-UAGQMJEPSA-N 405.520 1.991 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C3CCOCC3)nn2C)c1 1150640540 FPYUJPPWCJBNHU-UHFFFAOYSA-N 402.476 1.478 30 10 HDEE CC#CCNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1152939706 WMECFKQRVMHNMI-FQEVSTJZSA-N 405.454 1.909 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccncc3)[C@@H](C)C2)s1 1153510298 PKKAJHHGZQEYET-HNNXBMFYSA-N 420.560 1.887 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCSCC2)cc1 1186675058 WKNIMGROMGFLGG-UHFFFAOYSA-N 404.579 1.462 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2 1192215108 NBKFESYYHKMMMP-UHFFFAOYSA-N 412.420 1.332 30 10 HDEE CCN(CCC#N)C(=O)CN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1193693031 CMGZCMVRHWLRKF-KRWDZBQOSA-N 423.558 1.634 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)C1 1201996440 HJPQGOHXZHDSQL-OAHLLOKOSA-N 419.913 1.377 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1233928310 OOYAXOICICHISP-IBGZPJMESA-N 401.507 1.910 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286321015 KGZGFNNLCDFXOH-IBGZPJMESA-N 408.554 1.755 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1286379260 LRBAIYJVOLYPQG-IBGZPJMESA-N 423.517 1.994 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1286393985 SMOTXUPVLDMYGT-QGZVFWFLSA-N 403.483 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN(C)S(=O)(=O)CC 1286425521 NDSCBXMDCLALGX-UHFFFAOYSA-N 416.551 1.418 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCN1CCC(O)CC1 1286427869 GQZMZXBFYUENGW-UHFFFAOYSA-N 406.534 1.574 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286437112 IAFAJVOSELOCJH-UIFIKXQLSA-N 404.511 1.728 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1nnc2n1CCCCC2 1286465856 SQMHSRKIASMJPL-QGZVFWFLSA-N 413.526 1.624 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1286479079 JYWUJMOQIHSKRB-AZUAARDMSA-N 422.533 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](CC)OC)CC1 1286480904 QWLRAAWGAUKXGV-PXNSSMCTSA-N 411.506 1.971 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C)COC2)CC1 1286490937 XVNJDEDSONSHGQ-UHFFFAOYSA-N 408.506 1.651 30 10 HDEE C#CCSCCn1c(N(C)Cc2cnccn2)nnc1[C@]1(OCC)CCOC1 1286510207 LOAQSVSNELUDLL-IBGZPJMESA-N 402.524 1.723 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)CC1 1286660659 OWSWMJMYIVNVHP-INIZCTEOSA-N 409.556 1.847 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1286706350 NGUBMJMFIKEEHK-ZDUSSCGKSA-N 405.421 1.777 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@H](OC)C1 1286782873 BVMOTKRSAZNCKB-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286788521 XZACVRYQRPJHHG-KRWDZBQOSA-N 412.494 1.080 30 10 HDEE C=CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286834431 DXKUQNCULVVFIO-HXUWFJFHSA-N 423.583 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1300300224 XRTCXYNSCRIPDV-OAHLLOKOSA-N 415.519 1.946 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1300345634 NNGJDEFBSZXCID-AWEZNQCLSA-N 408.466 1.761 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1300472556 DRXVUDXBRKSMOW-UHFFFAOYSA-N 404.565 1.388 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[S@](=O)C(C)(C)C 1300512920 NSYHFGZHQCBIFS-PBBNMVCDSA-N 420.579 1.939 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1300602879 VDUAKWLWLUSOBN-HNNXBMFYSA-N 405.524 1.543 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)[C@@H](C)CC 1300665174 YISUQJKZTMUXGD-BTYIYWSLSA-N 417.510 1.889 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1300755161 MSAOBGUFWBHFLZ-UHFFFAOYSA-N 408.553 1.058 30 10 HDEE C#CCSCCn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1300777107 QYNMGNIYBWXHKW-UHFFFAOYSA-N 413.613 1.802 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(C)CC1CN(C(=O)OCc2ccccc2)C1 1301481720 OEJAGAAWMFJELN-UHFFFAOYSA-N 412.494 1.594 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1301587334 YPTWMFJGVLEGLM-CQSZACIVSA-N 418.585 1.406 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)o1 1301613837 AUWBWIZFAGBTRY-UHFFFAOYSA-N 404.448 1.128 30 10 HDEE COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301843566 RMXLEFNMBNPLEK-YLJYHZDGSA-N 404.515 1.142 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCNc2ccccn2)CCO1 1303005085 WSIFBSSAZZDDHV-GOSISDBHSA-N 404.478 1.890 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC[C@@H]2COCCO2)CCOC1 1303475463 GFRHADLRPOZCJF-MBOZVWFJSA-N 407.515 1.863 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1303558954 PRGBVXHJZCWCDD-INIZCTEOSA-N 406.504 1.226 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1)c1cc[nH]n1 1303720625 HHMZVRYRZSLWBM-ZBEGNZNMSA-N 402.373 1.885 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)c3ncc[nH]3)nnc12 1306846686 BBZFMRJIDDDCLN-LBPRGKRZSA-N 409.475 1.923 30 10 HDEE C[C@H](C#N)CN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CC1 1307644305 QCUHQJWFQZKITI-IREQLNLFSA-N 413.503 1.858 30 10 HDEE CO[C@@](C)(C1CC1)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1312860817 HXRORTXSHIIINF-MGPUTAFESA-N 420.535 1.778 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1314305258 XANLOKNEWVPZEJ-RCMKLKEOSA-N 412.494 1.218 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cnnn1C 1316163008 YAYYDQNUWGYZBV-OAHLLOKOSA-N 410.482 1.687 30 10 HDEE C#CCCCCCC(=O)N1CCC[C@H](N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1344974441 GGDIPTUTODKESM-NHHWGVFUSA-N 402.535 1.805 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1358881936 PPSYBGZPRFIMIP-AWEZNQCLSA-N 420.491 1.193 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1358896985 QIAMWVSKERKOPG-QGZVFWFLSA-N 419.551 1.823 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1cnnn1C 1358946479 WHIGPTDHOWBKHO-UHFFFAOYSA-N 417.477 1.482 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1358994274 JAJLKIQISSFVFB-QGZVFWFLSA-N 419.551 1.264 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1359014143 YMOFFLIKBJLVGG-KKSFZXQISA-N 400.479 1.865 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NC(C)C)CC1 1359033908 VTIOTNMWPVZEMM-UHFFFAOYSA-N 400.914 1.878 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1359142285 DQTVKSFLJBQFHR-ZIAGYGMSSA-N 405.952 1.894 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359226782 MJZXAUAXSHBNBH-ZWKOTPCHSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)C1 1359292653 VCJOGVFQGWKHGO-INIZCTEOSA-N 412.494 1.273 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC(O)CC2)C1 1359318182 YMHBKHDLMZFOCX-IBGZPJMESA-N 412.538 1.968 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1441918194 UNUWQAHMZUNIJF-LRDDRELGSA-N 423.516 1.330 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)cc1S(=O)(=O)NCC#N 1456502727 DGCWWWCKHNLRCL-NVXWUHKLSA-N 407.492 1.065 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1456686321 MVZOQWXIFIOMCZ-HZPDHXFCSA-N 418.498 1.619 30 10 HDEE C=CC[C@H](C(=O)OC)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1460680847 XWEKTAWQURAPDH-JJXSEGSLSA-N 409.483 1.619 30 10 HDEE Cc1cc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 1462930157 JMKRSRJNKUUJAI-UHFFFAOYSA-N 405.458 1.563 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(I)nn2C)CC1 1464750151 NSCVWVCYMDNIIT-LBPRGKRZSA-N 401.252 1.331 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1=O 1467531513 HHJBALXTHZIBEI-IKGGRYGDSA-N 422.570 1.458 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C 1469560188 HAGXZRRJINHTBS-PBHICJAKSA-N 409.508 1.708 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3ccsc3C#N)CC2)COC1 1470097372 ZHBQIWXQCBRPSR-UHFFFAOYSA-N 406.508 1.952 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1470604991 KHHDFZFAOYBQHD-CVEARBPZSA-N 419.478 1.822 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1nnc2n1CCN(C)C2=O 1471670988 HXVQNYVNJGLIBA-UHFFFAOYSA-N 423.395 1.920 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1473586822 AXSLPAOFCSGZGM-MRXNPFEDSA-N 409.490 1.278 30 10 HDEE CC(C)[C@@H](NC(=O)Nc1sccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1476828780 CGLSATODHMUHOY-OAHLLOKOSA-N 401.496 1.962 30 10 HDEE CCCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)[C@@H]1CCN(CC(=O)N(CC)CCC#N)C1 1481402799 DZKZJVHFHOFIRE-KKEPMVJESA-N 402.539 1.485 30 10 HDEE CC1CCN(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1494072599 CWRUSFHJBGPUPI-CVEARBPZSA-N 411.576 1.359 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1503404073 XZBROGAQXJMHGE-OALUTQOASA-N 423.521 1.110 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1504969490 DIFNUSXNUXPORN-XJKSGUPXSA-N 423.495 1.138 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cc[nH]n2)C1 1505319030 ULIALQSGYDEMOF-SFHVURJKSA-N 414.470 1.525 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1507581930 ASQNZAGATSOIOG-QGZVFWFLSA-N 419.489 1.320 30 10 HDEE C#CCCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1507600393 YSGFSGWWOUKMOL-UWJYYQICSA-N 403.527 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCn1cc([C@@H]2CCOC2)cn1 1507646806 TVTXKDKATMIZGU-GOSISDBHSA-N 403.490 1.757 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCOCC1 1507678432 XNPILVDMJGXORH-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H](C)N1CCOCC1 1507713425 JNSGWWHPOXGCRN-QGZVFWFLSA-N 403.552 1.737 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2noc3c2CCCC3)n1 1507717528 VSQFKTWKXOMNGO-UHFFFAOYSA-N 409.494 1.984 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCCOC)CC1 1507723277 BXRVWBCYMVILCN-UHFFFAOYSA-N 405.506 1.923 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1507735258 PTTCOLLIMWDSGF-QHCPKHFHSA-N 420.517 1.389 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1507751435 OBYWKYOZNGRYKY-MRXNPFEDSA-N 424.592 1.554 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1507765647 SUCIQUHITJDVQG-LJQANCHMSA-N 400.508 1.368 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507885657 JNNRRPGFNVFERE-NRFANRHFSA-N 416.547 1.883 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1507987747 KORWHPHDXSGVCI-UZLBHIALSA-N 424.567 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1508141818 OVCBFPTXWNSROX-BBWFWOEESA-N 421.567 1.847 30 10 HDEE CC(C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509351249 JTNRUNNVQALDIY-FBMGVBCBSA-N 415.498 1.133 30 10 HDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 1515939810 FHYOUUQMFDDXSV-KRWDZBQOSA-N 404.563 1.040 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1517668310 HUBSNROGOXQBMJ-SFHVURJKSA-N 412.494 1.394 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(NC(=O)OCc2ccccc2)CC1 1519179541 PCVPTQYJXICCFI-MRXNPFEDSA-N 420.473 1.844 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCCN1CCOCC1 1525348646 GWAMFLPEPHGYFZ-KBXCAEBGSA-N 406.914 1.805 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1528571374 IPKSMBORTQLADH-JFIYKMOQSA-N 420.531 1.836 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1)[C@H]1CCS(=O)(=O)C1 1528599857 JGRPYLRIAYSEAU-QAPCUYQASA-N 419.503 1.200 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCSC[C@H]1S(C)(=O)=O 1534632614 CADIJVJPWXDSGG-CHWSQXEVSA-N 405.542 1.520 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1538574598 JZPNWYGKFYOCGJ-UHFFFAOYSA-N 419.547 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1539343976 ULKXHBRSJPRWJN-MRXNPFEDSA-N 410.588 1.470 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539430378 IUJHEIIKLJBGJQ-KDURUIRLSA-N 402.587 1.830 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O 1539644241 GDEVJBUTNPBWFX-XHSDSOJGSA-N 413.544 1.096 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(C)(=O)=O 1539651719 JQARLXNPSZESIL-SFHVURJKSA-N 400.545 1.766 30 10 HDEE Cn1nc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1Br 1540510606 BLGBYOAWUIGKNF-UHFFFAOYSA-N 405.256 1.882 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC[C@@H]21 1540865165 WZFFSJDJQPMFMZ-WBVHZDCISA-N 415.519 1.640 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCSC2)C1 1540891694 YGPJTXNYNMKZPK-GQIGUUNPSA-N 420.583 1.448 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C(=O)CC[C@@H]3C2)C1 1545816224 DAKRCVDJVZSSTP-OAHLLOKOSA-N 403.280 1.590 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1555151448 VPUAQFJFEJIIDP-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@H]3C2)n1Cc1ccc(C#N)o1 1555625103 QXFOBCIIEIZLCI-KEYYUXOJSA-N 414.466 1.230 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCC1 1555753600 SOIGCRABEZCNLH-UHOSZYNNSA-N 418.542 1.605 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC[C@H]2CCOC2)cc1 1555991621 RUBAHUCPRRHLFV-IRXDYDNUSA-N 410.478 1.467 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C(=O)OCc2ccccc2)c1 1556070300 SVULICTYYVRIPQ-LJQANCHMSA-N 415.467 1.318 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 1556797408 XMVPHSCEVBYABO-KRWDZBQOSA-N 407.492 1.450 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)c1 1557105105 JRIMIVTXRVPDRZ-LLVKDONJSA-N 407.473 1.332 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC([C@@H](C)C(=O)OCC)C2)s1 1558238104 CKQAZHBIPQYPOU-GFCCVEGCSA-N 400.522 1.413 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)C(=O)OCC 1561828585 SLENCIBYLVPAPH-VIFPVBQESA-N 415.839 1.305 30 10 HDEE C#CC[C@H](COC)NC(=O)NCC(=O)Nc1ccc(I)cc1 1564744925 KXNJLCWIXJQNEE-CYBMUJFWSA-N 415.231 1.567 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3ccccc3c([N+](=O)[O-])c2N)CC1 1565590325 XIYQVAPNMITMQC-UHFFFAOYSA-N 409.446 1.228 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)c1cc[nH]n1 1565713505 JNYFRSXWMKVCRJ-CYBMUJFWSA-N 418.450 1.897 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(CCC(N)=O)CC3)C2=O)cc1 1567178588 AJONRXUYSFOKJS-KRWDZBQOSA-N 411.462 1.267 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1584359317 PTABVCDURJMZTF-CQSZACIVSA-N 401.488 1.882 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1584624840 DHTRAESEJPVPGY-CABCVRRESA-N 413.482 1.126 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1584876248 IDSYVMGWBKFZNM-UHFFFAOYSA-N 400.460 1.345 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(COc4ccccc4F)on3)C[C@H]1CS(=O)(=O)C2 1585660213 HDKNLQIVQWCDSK-KPZWWZAWSA-N 405.407 1.403 30 10 HDEE CC(C)(CNC(=O)COc1cccc(Br)c1C#N)CS(N)(=O)=O 1587419284 KYJKSTUEFNGSSD-UHFFFAOYSA-N 404.286 1.130 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1587569027 UPFLMYGVSKEYEB-BTYIYWSLSA-N 416.526 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1587640187 PSGKCQSPZCQXKC-ZSOFBXJNSA-N 420.535 1.756 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1587921605 CUXGFNOCZUUQSI-OAQYLSRUSA-N 415.469 1.569 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCOCC1 1588659773 NSIRQGRBFQGIQY-UHFFFAOYSA-N 420.460 1.775 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC(C)C)nc2)CC1 1588813297 WTRUBMLCNRTQQO-LJQANCHMSA-N 410.522 1.768 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1593691108 QYRQJCRRGZOSRQ-SJORKVTESA-N 416.526 1.069 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1595517201 SPUUYNVTSKIXPW-NRFANRHFSA-N 408.462 1.115 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC1CCOCC1 1595811769 ABAOBLOMORTSIT-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567352 JPNMGIUGWVEWNI-XTDOFWJNSA-N 411.524 1.467 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1611250426 ALQRLFOHNUSPOP-DNVCBOLYSA-N 413.540 1.177 30 10 HDEE C[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1612704341 AFXFRXYKFGHEAS-CRAIPNDOSA-N 410.478 1.605 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCCS(=O)(=O)CC(F)(F)F)c1ccccc1 1616823312 JFVYFTFPENMSES-UHFFFAOYSA-N 419.425 1.807 30 10 HDEE C[S@@](=O)C1(C(=O)Nc2ccn(CCC#N)n2)CCN(C(=O)OC(C)(C)C)CC1 1618199138 HCWUPGVTDVFPSO-MUUNZHRXSA-N 409.512 1.883 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccnc(N3CCOCC3)n2)C1=O 1618550573 JLDAPBGWQPBQLI-FQEVSTJZSA-N 418.498 1.629 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H]1C 1618895374 NKWIHAPIJCFFIO-AWEZNQCLSA-N 421.465 1.270 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CCO1 1620354957 FFINJEXOPQLDDE-QZTJIDSGSA-N 401.442 1.542 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)n(C2CCCC2)c1C 1620484933 OWFDKBBJONTXCA-UHFFFAOYSA-N 422.555 1.288 30 10 HDEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[S@](=O)C1 1625221158 QKHYPFWWPUAMND-YYUOZPCZSA-N 410.337 1.984 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 1626561441 QYVTZWPAIDHIQQ-GOSISDBHSA-N 415.446 1.273 30 10 HDEE C#CCSCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628385297 NFRICOLDBYCMJH-WMZOPIPTSA-N 410.561 1.417 30 10 HDEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1628604165 ASTNHNHGQMRHEV-UHFFFAOYSA-N 404.470 1.938 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCN2CCCC2)cc1)c1cc[nH]n1 1631073925 GKIOTZRMZOPJED-UHFFFAOYSA-N 413.478 1.971 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1632083985 XBCZIWAPBBATOD-CQSZACIVSA-N 402.310 1.894 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCc2nnc3n2CCCC3)c1 1632098402 KRDTVFRQSQUXMJ-UHFFFAOYSA-N 405.455 1.413 30 10 HDEE COC(=O)N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1632161474 CMKBOMFYFBPYJE-KGLIPLIRSA-N 404.854 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCO[C@@H](C#N)C3)ccn2)CC1 1632583965 ZHUIDMNRTBTLGQ-INIZCTEOSA-N 401.467 1.503 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc2c(c1)OCCN(C(=O)NCC(=O)NCC#N)C2 1635082127 GYLOXDXNGXUXNX-UHFFFAOYSA-N 403.439 1.577 30 10 HDEE N#C[C@@H](CO)NC(=O)c1c(I)ccc(Br)c1F 1635480395 CZXLTZSWANWYKE-YFKPBYRVSA-N 412.984 1.807 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccnc(C#N)c1 1635744960 JPZREVNUOUKANO-KRWDZBQOSA-N 404.517 1.670 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCOC)C2CCOCC2)s1 1636422930 GGDKIMJICUQMIE-UHFFFAOYSA-N 402.538 1.409 30 10 HDEE CN(CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 1636576311 KDDVTXKQVBGAJM-UHFFFAOYSA-N 415.519 1.543 30 10 HDEE COc1ccc([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)c(Br)c1 1637255024 CXWOCIYTASLWTO-SECBINFHSA-N 407.224 1.469 30 10 HDEE Cc1cc(Br)c(N)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1637513785 PAHPEKHTXUNCFQ-UHFFFAOYSA-N 404.224 1.171 30 10 HDEE CC(C)(CO)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1639145593 FHHZSHDVRXEOLL-GOSISDBHSA-N 402.476 1.108 30 10 HDEE CC1(C)CNC(=O)c2c(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)coc2C1 1639973874 OQKNSDPQIIECQS-QGZVFWFLSA-N 420.469 1.994 30 10 HDEE C#CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)cn1 1640012987 UJPRQHPGIGUDCM-IBGZPJMESA-N 417.828 1.392 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1641836667 JLYCWCQSUNSTBF-HNNXBMFYSA-N 401.492 1.704 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)c1cc2ccccc2n1CC#N 1642211106 DKTDMJYTNMYCQA-DYVFJYSZSA-N 414.487 1.748 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1642431243 ZBUCFSQNCQVUKU-HZPDHXFCSA-N 403.483 1.714 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCN1C1CCCCCC1)c1cc[nH]n1 1642911937 BBLLGGUJRSEQJK-INIZCTEOSA-N 405.499 1.607 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2Cc1c(I)cnn1C 1643810559 ZWRDEGIAUQTJBZ-UHFFFAOYSA-N 405.199 1.963 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1644944326 QUDWRTVNHKGWSX-JKSUJKDBSA-N 402.499 1.495 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1649685710 UUGHHKRIFSFNEO-VLIAUNLRSA-N 414.441 1.586 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1655034522 GKYKYABWICDSNY-ZHALLVOQSA-N 419.547 1.911 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1662820800 HJNUSFLEKIKBDC-ZDUSSCGKSA-N 410.462 1.732 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 1664571120 UMKFHKWXHJTDJK-WFASDCNBSA-N 404.510 1.326 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(S(C)(=O)=O)ccc2F)n1 1672074632 ICGOYPSIZHKATO-UHFFFAOYSA-N 422.482 1.417 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCCc2ccc(S(=O)(=O)NC)cc2)n1 1683441214 NIGSOUDNOCFUHR-UHFFFAOYSA-N 403.508 1.199 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)C2)nc1 1683727754 OODSMSFCXFSMBW-HNNXBMFYSA-N 409.450 1.337 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C1CCOCC1 1684036845 RUUAPOYPTITZHJ-FQEVSTJZSA-N 415.490 1.600 30 10 HDEE COC(=O)CC1CC(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1684113198 JIIBBZMYRRYVET-UHFFFAOYSA-N 410.478 1.900 30 10 HDEE C#CCN(CC1CC1)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685226874 IQNMEHZUADNKNK-MRXNPFEDSA-N 413.540 1.465 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1685503549 DKKRPSVSUZSEMF-KZNAEPCWSA-N 418.494 1.867 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@]2(O)CCO[C@H]2C)c1 1689873334 FEKONVVTCBOWQR-QMHKHESXSA-N 423.517 1.827 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1689923408 RJPYCDRMUMUEJZ-UHFFFAOYSA-N 423.565 1.832 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1cccs1 1689998042 AHBFBCFCSFRFSC-NRFANRHFSA-N 420.498 1.967 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)CC1 1690119369 CFMPTRBFMLVWEL-UHFFFAOYSA-N 406.534 1.971 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690328021 COWLNCKMICSYRY-WWGRRREGSA-N 419.935 1.025 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1690699506 GBPHZIFGEIHMHQ-ROUUACIJSA-N 421.567 1.223 30 10 HDEE CN1C[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)CCN2C1=O 1696876375 JFJZNJURBNENSG-LJQANCHMSA-N 423.521 1.925 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1697988043 LEZHZUKJSYEEES-GOSISDBHSA-N 411.510 1.097 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705548583 MIJNHGVMBXPEFR-AWEZNQCLSA-N 407.927 1.949 30 10 HDEE C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCS(=O)(=O)C1 1705692232 CUGBIMIFDALGRU-SNVBAGLBSA-N 401.290 1.566 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728660 ROGRPOZWNVJYMB-UTKZUKDTSA-N 418.542 1.935 30 10 HDEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC)C1CC1 1705855176 XBSDQKLAUDSZMY-QGZVFWFLSA-N 419.507 1.495 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(F)cc1 1705901448 LUEDTSINHOIDON-XJKSGUPXSA-N 400.458 1.868 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1706820351 DAHOLPGCYBCEQX-QGZVFWFLSA-N 423.521 1.063 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1712604778 VGDUPGZSPAALDU-QGZVFWFLSA-N 422.493 1.483 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CSC)cc1 1722344182 HSRNWMWYROPROG-AWEZNQCLSA-N 407.565 1.869 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1([S@](C)=O)CCC1 1722373926 OILGUGXKCAFGLZ-MMTVBGGISA-N 404.536 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ncnn1-c1ccccc1 1722396016 UTSDTXJPZTWSHH-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCN1CCN(C(C)=O)CC1 1722423114 WRKUEARRVHVPAR-UHFFFAOYSA-N 412.513 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccco2)N(C)C)CC1 1722435262 JEUQOAOGCKFJPA-IBGZPJMESA-N 407.522 1.935 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC[S@@](=O)C(C)(C)C)CC1 1722435434 MSTZPYPNVFMVOE-MUUNZHRXSA-N 400.552 1.643 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)CCC)CC1 1722445248 NDMQIYMGDNQHON-QFIPXVFZSA-N 410.522 1.857 30 10 HDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722578910 COMXLDXUNMYZAM-KBXCAEBGSA-N 406.962 1.972 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722672239 MTKWJWTZJWBPME-IAGOWNOFSA-N 409.556 1.775 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703757 GVOFWFGCUKMAIR-LAUBAEHRSA-N 421.542 1.626 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CCS(=O)(=O)C(C)(C)C)C1 1722722965 TTWDTGZEVKJLAL-HNNXBMFYSA-N 400.545 1.809 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccnc(-n2cccn2)c1 1722865000 CLLGBDZPDOSZEE-HNNXBMFYSA-N 400.450 1.960 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1727925079 CHMCBXSSXSRFGV-NVXWUHKLSA-N 415.542 1.912 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1=O 1730785629 GLMANGOCUBPKAI-SFHVURJKSA-N 424.505 1.538 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1740589198 RAYVSHBDMDITFR-HUUCEWRRSA-N 402.499 1.746 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740622422 XZSHOOISGUPIRI-ZWKOTPCHSA-N 417.535 1.638 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740626167 JXYRFIATHPAEGN-HOTGVXAUSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740627831 SQSQLDCDRGVCOG-QZTJIDSGSA-N 421.611 1.834 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740629317 JCPNOKYABBFFLS-YYIAUSFCSA-N 408.524 1.181 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnc2n1CCC2 1740631480 ULEQUNZYIVZURM-UHFFFAOYSA-N 417.473 1.621 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c(F)cccc2F)CC1 1740689178 QRMLZCCHYWKGSM-UHFFFAOYSA-N 416.476 1.692 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2COC)CC1 1740695531 VNZNDHNILFMQJZ-UHFFFAOYSA-N 405.506 1.629 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOCC(C)C)CC1 1740698572 INUDWDHIINNPRQ-UHFFFAOYSA-N 413.570 1.958 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740780636 GETSMVHEPJQSLE-HNNXBMFYSA-N 405.524 2.000 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740886523 KCPFAGSGCLRLQT-OAQYLSRUSA-N 412.494 1.888 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1740887857 DVGBFNGAQABFGK-UWJYYQICSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(F)(F)F)CC1 1740950901 MEMPZKFQYUTDDS-UHFFFAOYSA-N 402.421 1.497 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCCCC2)CC1 1740960048 JVORTMFKJWPFNG-QGZVFWFLSA-N 402.543 1.539 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1741005694 OHHLHXTVYOCQAB-HNNXBMFYSA-N 404.540 1.131 30 10 HDEE CC(C)c1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1741368434 VKNDOKDXDKAOPU-UHFFFAOYSA-N 413.482 1.489 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1741517393 BOZHZDLIPAKASO-HNAYVOBHSA-N 406.556 1.863 30 10 HDEE C#CCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1748750934 RTSGPMXGHANOMF-UHFFFAOYSA-N 416.526 1.742 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1748760740 FAZPGQCQXQGYHG-JOCHJYFZSA-N 409.490 1.996 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN1CC 1748776560 KHZROZYVPVGUQL-KRWDZBQOSA-N 401.536 1.902 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1748802376 OPDUVLWCTUQCDG-TWFHAPMSSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748808142 ACJQKHOSBZBKRM-JKSUJKDBSA-N 419.526 1.661 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748814952 MAAIQQGZAZZCBM-ZIFCJYIRSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN(C)CC(F)(F)F 1748900969 NXUUAFMXGPZQOQ-UHFFFAOYSA-N 424.471 1.748 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1749038528 KSXUOCALVXPABI-KRWDZBQOSA-N 418.567 1.880 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCn1ccnn1 1749051926 RBZJBIGSCVVHJQ-HXUWFJFHSA-N 405.466 1.599 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C)CC1 1749084768 VIYZKEREXSWEMF-LBPRGKRZSA-N 404.334 1.953 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749126305 AQBWVVYKKRWIPE-LFEHRJTNSA-N 415.494 1.615 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1749189477 LAJGFZLATCPKGG-KGLIPLIRSA-N 401.471 1.890 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749253046 XJMHYTRYHPMSSL-KBPBESRZSA-N 421.951 1.225 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCOC2)C1 1749373786 UTMHXWNLXNFLKR-NRFANRHFSA-N 403.527 1.999 30 10 HDEE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749608577 BIMDJPVYPJKQHV-OAQYLSRUSA-N 411.510 1.536 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC1CCOCC1 1749659536 GOAMNJFGZIQBRH-UHFFFAOYSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1749664760 YZBUQYLKXDRDEA-UHFFFAOYSA-N 405.462 1.378 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CC1=O 1749857341 AQMWZIHDCLMLSE-QGZVFWFLSA-N 424.505 1.537 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1751928202 IRSIKDDOUUHHAS-SFHVURJKSA-N 411.485 1.839 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1ccnc1C 1760105303 NOBJOFCGBNRPBK-OAHLLOKOSA-N 402.466 1.584 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760153529 UHRKTMWIVOVFEJ-QZTJIDSGSA-N 410.526 1.768 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760185133 QFFIWCVHPPMKNB-LSDHHAIUSA-N 424.473 1.695 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1760188584 PLAPHEKZAFSDFI-CVEARBPZSA-N 420.560 1.827 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1cnnn1C 1760242820 PLLHRAZNNFMSLV-OAHLLOKOSA-N 413.457 1.820 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(C(=O)NC)c1 1760250810 QPPUKIPPIZMLLL-UHFFFAOYSA-N 418.501 1.758 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)CN2CCCC2)CC1 1760262602 SJJCFXRIKQIBKK-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1760272349 HLKAYBKMWBAENV-MRXNPFEDSA-N 406.556 1.135 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760277291 GEBUKZGONPOPET-QGZVFWFLSA-N 415.544 1.806 30 10 HDEE C=CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1760430643 PAGLUHRHPQEPQE-OXQOHEQNSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760558268 KVVNQEBTWPQRGU-GFCCVEGCSA-N 412.434 1.183 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CCc1nccs1 1760558538 ROLFIZJQKWKOIK-CQSZACIVSA-N 411.553 1.866 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@@H]1CCN(C)C1=O 1849168266 YALVIPLRYWSCTN-PKOBYXMFSA-N 419.547 1.641 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3nncc(-c4ccccc4)c3C#N)CC2=O)CC1 1851856520 NXLUFXQJICOCLQ-MRXNPFEDSA-N 404.474 1.896 30 10 HDEE Cc1cc(N2CCC(N(Cc3cnn(C)c3C)C(=O)c3cnc(C#N)nc3)CC2)n[nH]1 1853461306 AKWLCWMEIXOUMR-UHFFFAOYSA-N 419.493 1.733 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O)n1cncn1 1853774128 VJMHUDQAVGAICS-IEBWSBKVSA-N 406.490 1.914 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2ccccc2F)C1=O 1854132014 WSIPQHSCQOECAB-OALUTQOASA-N 401.482 1.995 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854292252 UTXANNMCNAECOV-NVXWUHKLSA-N 419.913 1.020 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638767 TYAJRQIRVPUITD-CXAGYDPISA-N 407.467 1.835 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)nn1C 1855446718 AMVVNNNLOOQGCM-FQEVSTJZSA-N 407.474 1.885 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(Cc3nnc(C)o3)c3ccccc32)CC1=O 1855900682 UCNHBGHQTGWKHD-OAHLLOKOSA-N 409.446 1.682 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCOCC4)ccc32)c1 1855985033 QNTOJFGPBNSZEM-UHFFFAOYSA-N 411.439 1.309 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2nc(-c3ccncc3)ccc2=O)CCN1[C@H](C)CCC#N 1856289295 QUJMZSSPIKTMBK-CVEARBPZSA-N 408.462 1.057 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC[C@H]2CS(=O)(=O)c2ccccc2)CCC1=O 1856886748 XWNYWMDQQQRWND-SJORKVTESA-N 403.504 1.604 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1856975305 LFNFMIHJUBMOFW-JKSUJKDBSA-N 409.895 1.543 30 10 HDEE Cc1ccc(C)c(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857035021 XECYRTJYQFNLQC-KRWDZBQOSA-N 403.504 1.858 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cnc3ccccc3c2)C1)[C@H]1CCN(C)C1=O 1857273802 AMBLFPNZMCPMFJ-UZLBHIALSA-N 406.486 1.942 30 10 HDEE COc1cccc2c1OC[C@H](C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1=O)C2 1857381513 PFIAAEVQXRHMSK-LJQANCHMSA-N 405.454 1.989 30 10 HDEE C=CCN(CC=C)C(=O)N1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1858623554 KDWVVSKDOXAURF-UHFFFAOYSA-N 406.508 1.745 30 10 HDEE COc1ccc(-n2nc(C(=O)N3CCn4c(C#N)ccc4[C@@H]3C)c(O)cc2=O)cc1 1866396827 IPLDRINYERBVOI-ZDUSSCGKSA-N 405.414 1.837 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OC)cc1C 1871260782 ZJQYNDFRZWLJRW-UHFFFAOYSA-N 415.490 1.841 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)COc2cc(=O)oc3ccccc23)C1 1892100871 LBQATYVTLYFLKU-CQSZACIVSA-N 406.398 1.903 30 10 HDEE Cn1nc(Br)cc1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2074364474 MZKUXUUXWIPXHK-YPMHNXCESA-N 413.320 1.627 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)C1 2086045276 VJGXYSWYWQTTKH-FXQQTDPRSA-N 404.492 1.514 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2118166185 HWPXMGDTYPPVLY-WDEREUQCSA-N 400.423 1.512 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2174789763 UXQFUDWYAUDKGC-HNNXBMFYSA-N 400.545 1.349 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](CCS)C(=O)O)C1(C)C 2180235634 GCLDFEQVELZVKD-SEDUGSJDSA-N 404.529 1.974 30 10 HDEE COCCCS(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186600541 UAYCCRQBARHVNP-GFCCVEGCSA-N 404.363 1.801 30 10 HDEE CC(C)CNS(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186600817 WVYWGCUBQMDSKQ-LBPRGKRZSA-N 403.379 1.926 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](C)S(C)(=O)=O 2186603141 YEGADUXSWOATEH-WDEREUQCSA-N 402.347 1.395 30 10 HDEE CC(C)CN(CC#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2233092769 QDUVMFBKXPVMSI-CQSZACIVSA-N 401.529 1.807 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248401021 DWKWRGMWZHVLSN-UHFFFAOYSA-N 421.303 1.549 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2249998707 MFPCAJACMCSTIG-UHFFFAOYSA-N 422.331 1.793 30 10 HDEE Cn1ncc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255543863 PORZXHYNSOLPKC-SFHVURJKSA-N 424.354 1.971 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[nH]n2)OC1(C)C 2255630875 PZRJFEHUTQQKGE-KRWDZBQOSA-N 421.310 1.559 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCC(=O)O)c(Cl)c2)OC1(C)C 2267467786 FZYRDRHEAWAAPT-UHFFFAOYSA-N 410.084 1.656 30 10 HDEE CN(CC1CNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703690 ZMIHKPBMPUUESI-UHFFFAOYSA-N 406.766 1.541 30 10 HDEE N#C[C@]1(C2CC2)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270496162 KFIMPRVTJGOQCU-QFBILLFUSA-N 421.475 1.321 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281970625 FZZHRWCSRYAIOE-ZFWWWQNUSA-N 405.304 1.333 30 10 HDEE CN1C(=O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1=O 2282305311 XATPPMXNABAIRD-UHFFFAOYSA-N 420.705 1.283 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(F)C[C@@H](CN)C3)s2)OC1(C)C 2282333401 NYHSKNDQVKOXDD-AITUWYQGSA-N 404.338 1.403 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@H]3CCO)c2)OC1(C)C 2282340347 DTOGQRATDSKENL-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CN(C)CC1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282344416 LBOALTRLEQGSDH-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)c1B1OC(C)(C)C(C)(C)O1 2282415314 GFVOBZUBHUAAEW-VXGBXAGGSA-N 405.322 1.367 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2282416146 RFVUHPVMRZSVBT-SNVBAGLBSA-N 400.375 1.550 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282495559 NYJYTXVMSZYSHD-VWLOTQADSA-N 401.359 1.126 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282601917 LMJQXLPJUNEHMF-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3[C@H]4CS(=O)(=O)C[C@H]43)sc2Cl)OC1(C)C 2282617434 KDTKZVAFNJXBJD-GDGBQDQQSA-N 417.745 1.474 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282830321 RWBBNFPBUCZBCL-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN(C)C[C@@H]1C 2282837348 UFMBAMBGZXFOIM-AAEUAGOBSA-N 400.375 1.584 30 10 HDEE COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850962 VOCGOSUWWBCVNK-NSHDSACASA-N 403.331 1.477 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCSC1 2282856958 APTFIZHFGHEMMA-LBPRGKRZSA-N 401.363 1.141 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCC[C@H]3N)ccc2Cl)OC1(C)C 2282872379 VSIIGXYBIIYJAU-HUUCEWRRSA-N 400.737 1.797 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CC[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282875873 VSBOQSQUSOJIJD-RUZDIDTESA-N 421.415 1.663 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@H]2CCC(=O)O)OC1(C)C 2284414541 IIJVPQJYCMCLHS-NSHDSACASA-N 401.315 1.675 30 10 HDEE COC[C@]1(C)C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284686292 XRMJVTHUZVKQDS-SJCJKPOMSA-N 401.359 1.998 30 10 HDEE CC#CCN(CC(=O)O)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2315976971 JPICKSPCLSTEIC-UHFFFAOYSA-N 406.460 1.049 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)NCCSCCO)c2)OC1(C)C 2360813848 CHKKFMFROAFADY-UHFFFAOYSA-N 401.359 1.131 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2365197582 WITVINSBJAQTFG-HNAYVOBHSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2365200130 VUEJQNONYZIYMZ-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 2365202109 MJMRWECJAYSILK-SPYBWZPUSA-N 404.573 1.845 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2365207192 MBKUYOGGRMAHCJ-SPYBWZPUSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CCC2 2365209313 FREIZRCMNHBASS-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 2365210787 LLEKOEOAEIMRCM-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(CCN(C)C)C(=O)OC(C)(C)C 2365212338 PUOGMMVMFIEFPB-MRXNPFEDSA-N 403.589 1.590 30 10 HDEE CC(C)(C)OC(=O)N1CCC2CC1([C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2367227708 SUXYSLYYRLZGPL-QXGUJMOYSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@](C)(O)C#CC1(S(C)(=O)=O)CCC1 2367790168 VFLXHYLHFVCBRP-CRAIPNDOSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367811850 MRMNPSONYFFPBW-MPGHIAIKSA-N 400.541 1.292 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2367821471 BUAHVUDAHPQHDS-SPYBWZPUSA-N 400.541 1.353 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 14789386 SFXDRNFNGDLPTG-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)cc1 21324695 HKCVWXPRMOJZQB-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C#CCOC[C@H](O)CN(CC)Cc1nc2sc(C(=O)OC(C)C)c(C)c2c(=O)[nH]1 36207431 VPAQDZPFCWWAOK-CQSZACIVSA-N 421.519 1.691 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 254791120 KDVULXDLSRONME-UHFFFAOYSA-N 410.364 1.838 30 10 HDEE COc1ncc(S(=O)(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 405049151 UMBPMXXHEBQTRH-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE COC(=O)c1cccc2c1N(S(=O)(=O)c1cnc(C)c(C#N)c1)[C@@H](C)C(=O)N2 427779166 CYXQNVZEGPVGII-NSHDSACASA-N 400.416 1.584 30 10 HDEE CC(C)NS(=O)(=O)NCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 428975409 JKDCQGNSPIPGKU-UHFFFAOYSA-N 415.519 1.857 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 479873152 JVVBQHJRMCHDSA-MOPGFXCFSA-N 400.498 1.959 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 482155650 VUFQYOIMMWUZRW-WBVHZDCISA-N 418.519 1.086 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3ccnc(O)c3C2)CC1 494138102 WYBCTGMULYOKHW-FQEVSTJZSA-N 409.465 1.693 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCc1cc(Cl)ccc1N1CCOCC1 499707366 OGKLGRNGVIEBCK-UHFFFAOYSA-N 416.931 1.373 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504446850 UPJIUVSJLYZPFH-UHFFFAOYSA-N 422.489 1.266 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CC=C)CC1 508846516 RPZPNZIOJAODHO-IBGZPJMESA-N 408.506 1.565 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 511375116 BLWFFZGKIRIZES-HXUWFJFHSA-N 420.469 1.409 30 10 HDEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 514977509 PUKIDXYZZLEEJS-GOSISDBHSA-N 412.515 1.964 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)(C)C 518442810 AGTNCVKPLCNHKN-UHFFFAOYSA-N 405.524 1.886 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[C@@H]4CC(=O)NC4=O)cc3)cc2C1=O 523513531 JIDWJVGITAANMK-OAHLLOKOSA-N 417.421 1.926 30 10 HDEE CN(C)c1nccc(N2CCN(CC(=O)Nc3ccccc3SCC#N)CC2)n1 532731678 QGHJJUQNCMABJG-UHFFFAOYSA-N 411.535 1.919 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)CC1 538149289 RZWDZJGMZWMPNX-NRFANRHFSA-N 417.598 1.840 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(CN4C(=O)CCC4=O)cc3)CC2)n1 545502749 KVTIUGNBJGDSJL-UHFFFAOYSA-N 418.457 1.956 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 549273958 JEDZSXVOWCAYIM-KXBFYZLASA-N 410.540 1.531 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4COCCO4)n3CC(C)C)CC2)c1C#N 549440056 JQFBNHAPGNXKFN-KRWDZBQOSA-N 414.514 1.262 30 10 HDEE COc1ccc([C@@H](NC(=O)C(=O)NCc2cccc(C#N)c2)c2nccn2C)cc1 550642979 SQWGUURDDOIMEC-LJQANCHMSA-N 403.442 1.822 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 554927546 CAMFASSOACJFMI-KRWDZBQOSA-N 424.505 1.603 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 564089381 MOUWLMQPXFKECH-AWEZNQCLSA-N 419.511 1.649 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(CCO)Cc1ccc(OC)cc1OC 572766725 HDIRTQYKFCTMPY-GOSISDBHSA-N 404.467 1.568 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1 581519240 QGFFSZXESYJKFV-GOSISDBHSA-N 412.471 1.148 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCC1 589228212 SBCBTRRSUXXPOB-ZWKOTPCHSA-N 402.520 1.199 30 10 HDEE N#Cc1ccc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c(F)c1 609231774 MQTHJWJHVAHAIY-FQEVSTJZSA-N 406.417 1.789 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 609444441 FLXMMJWXUWGFCV-LJQANCHMSA-N 413.499 1.289 30 10 HDEE N#Cc1ccc(OC[C@@H](O)CS(=O)(=O)Cc2noc(Cc3ccccc3)n2)cc1 609468843 SVGJCDWSGHTXGL-QGZVFWFLSA-N 413.455 1.887 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C#N)c1ccc(F)cc1 612607056 VYKMEUDGFSPJKD-INIZCTEOSA-N 406.439 1.180 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)N3CCCCC3)CC2)cn1 613152381 MFIQNPPDOPKJPM-UHFFFAOYSA-N 408.466 1.894 30 10 HDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669813818 DHQQTSCQILGVHN-SFHVURJKSA-N 424.505 1.731 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(Br)cc2OC)C1=O 672005077 SQOFPHIXISINEG-AWEZNQCLSA-N 424.295 1.319 30 10 HDEE C=CCOCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 679821165 ICRVGLQECVUKLB-NHYWBVRUSA-N 423.318 1.436 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 685531961 SNMXWMGAZFBYQQ-HNNXBMFYSA-N 405.503 1.592 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)cc(B3OC(C)(C)C(C)(C)O3)c2)CC1 725447530 ZXQOGWPKDYILRI-UHFFFAOYSA-N 400.737 1.575 30 10 HDEE C#CCN(C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 729332403 YILIDSNHUYJPKW-SFHVURJKSA-N 404.532 1.753 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731213469 DAUIRGNMASMEQX-MSOLQXFVSA-N 420.531 1.490 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(C#N)cc1 745109759 RZVGWJZYFJGEDY-IEBWSBKVSA-N 406.394 1.835 30 10 HDEE CN(CC(=O)NC1CCN(c2ccccc2C#N)CC1)S(=O)(=O)c1ccccc1 747337800 UWHMZDNWJSTEOV-UHFFFAOYSA-N 412.515 1.964 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 755668686 DZQPIHQROPISPC-GDBMZVCRSA-N 421.519 1.553 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 762509444 LHIBXZYEIMEGMI-INIZCTEOSA-N 408.474 1.988 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771444576 FNGSVJLAQZKJFS-ZUOKHONESA-N 403.435 1.005 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(CCc2nnnn2C)C1=O 771536318 FYAWZIPIDGUNOD-CQSZACIVSA-N 401.496 1.137 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 771630827 ALTVSYZDLFCKKL-XMSQKQJNSA-N 422.489 1.707 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774183945 AAWARPDDXQJUMG-PMACEKPBSA-N 403.548 1.964 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1ccc(I)c(C(=O)OC)c1 778629984 BZODQCWBHCIBGL-UHFFFAOYSA-N 417.224 1.335 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)OCC3(C#N)CCOCC3)cc2[N+](=O)[O-])CC1 780548439 ZYXWPOFNZHIBQT-UHFFFAOYSA-N 416.434 1.740 30 10 HDEE N#C[C@H](C(=O)CSCC(=O)N1CCCCC1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787058575 GHGWBIVHOMPMCA-MRXNPFEDSA-N 418.475 1.666 30 10 HDEE C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)NC1(C#N)CCC1 787554435 GQTRCCIDCVRHKS-OAHLLOKOSA-N 419.503 1.581 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)C1 793152292 GWXZORLZHYYYHB-BXTJHSDWSA-N 408.499 1.725 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 795183399 BKNLMHWVEKUZOV-HNNXBMFYSA-N 419.482 1.612 30 10 HDEE COc1cc(N2CCC(OC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)ccc1[N+](=O)[O-] 798832555 ORRNZJDKNHKBFH-GFCCVEGCSA-N 400.395 1.840 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCCO2)n1 802680769 ZLRKIIJQXHQLRK-RBUKOAKNSA-N 410.526 1.495 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)CCN1C1CC1 802696118 GGEXHAQBXDVYCT-MRXNPFEDSA-N 411.535 1.800 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)c1 816695543 FIFIDWBBVPFRMI-MRXNPFEDSA-N 404.444 1.791 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N 849494031 OWVOYYLARNCHIX-FUHWJXTLSA-N 412.542 1.619 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)C2)ccn1 856542930 MHTPFQKSZBXUCY-VQIMIIECSA-N 409.556 1.713 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)C1=O 858032105 RJVYSZQVONXXAQ-MRXNPFEDSA-N 412.446 1.306 30 10 HDEE CCCN1CCN(c2ccccc2C=NNC(=S)NCCN2CCOCC2)CC1 915940931 LMKKBSRMRCYXDQ-UHFFFAOYSA-N 418.611 1.349 30 10 HDEE C[C@@H](Cn1cncn1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 917255811 FHPVWISVPABUDY-AWEZNQCLSA-N 404.496 1.082 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2ccc(OC)cc2)o1)[C@H]1CCS(=O)(=O)C1 918756761 YNEPBLXESALEOZ-AWEZNQCLSA-N 421.500 1.486 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@H](C)O)C(=O)[C@]12C 1075982081 MKWRJUDSHLVUAW-WFENMJSKSA-N 401.415 1.539 30 10 HDEE O=C(c1ccccc1)N1C[C@@H](C/N=C2/NS(=O)(=O)c3ccccc32)N2CC[C@H]1C2 1116482839 MBUBFUDXDUKWGK-DLBZAZTESA-N 410.499 1.324 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)CC3(C#N)CCOCC3)C2=O)c1 1126909687 SPYNNOWOJIXDCJ-GOSISDBHSA-N 401.463 1.978 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(C(=O)OCC)CCCOC3)cc2C1=O 1131632232 LYNLQFOWYKSZRE-NRFANRHFSA-N 400.431 1.558 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3c[nH]c4cccc(Br)c34)C[C@H]1CS(=O)(=O)C2 1134275153 HVEWZLCQERBYCM-SJCJKPOMSA-N 422.304 1.870 30 10 HDEE CCNC(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1135775826 NHZXYNOZUQPWRY-UHFFFAOYSA-N 401.316 1.782 30 10 HDEE N#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1cccc(Cl)c1Cl 1136668347 NFCOCVAMAGRRBR-NSHDSACASA-N 408.249 1.592 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1140626745 JJVGYIYUXXRTBN-HNNXBMFYSA-N 403.483 1.853 30 10 HDEE N#Cc1cccc(ONC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1 1151432213 SASIQGCVPLCPOX-SCEWNMGZSA-N 404.426 1.772 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2ccc(OC)cc2)c1 1152902657 YROIKMGDWNBCTQ-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC=CC1 1163849718 MQXUDQNYQHVODJ-CRAIPNDOSA-N 405.520 1.695 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)c3c(Cl)cccc3S2(=O)=O)cc1 1166688274 GYEHVTREOSZRST-UHFFFAOYSA-N 410.860 1.830 30 10 HDEE CCS(=O)(=O)NC1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 1176808257 HFUXDQHFTFPRHZ-MRXNPFEDSA-N 422.551 1.734 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)[C@H]1CCCO1 1189432114 ULNDWPQYJLYGKI-VXGBXAGGSA-N 402.266 1.695 30 10 HDEE CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1189745465 IHGXNOVKLQIJRP-IBGZPJMESA-N 424.501 1.535 30 10 HDEE C#C[C@H](NS(=O)(=O)N(CCOC)CCOC)c1ccc(Br)cc1 1190716814 XBTOARKOJGHPQS-HNNXBMFYSA-N 405.314 1.553 30 10 HDEE N#C[C@@]12CN(Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1CS(=O)(=O)C2 1198084066 FSJUWGQAIAHPHD-FZMZJTMJSA-N 400.254 1.727 30 10 HDEE COc1ccc(C(=O)N(C)C)cc1S(=O)(=O)NCc1cccc(OCC#N)c1 1209593261 BOJBKNWHDRFGQR-UHFFFAOYSA-N 403.460 1.778 30 10 HDEE N#C[C@]12CN(C(=O)NCC3(c4c(F)cccc4F)CCC3)C[C@H]1CS(=O)(=O)C2 1230121034 ZOOMEWQRYCJTNV-ORAYPTAESA-N 409.458 1.966 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1286300432 UBQZLHCHKAKSRY-INIZCTEOSA-N 424.530 1.678 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286324469 QOVOXEUHEUJMII-DLRJPAPCSA-N 401.511 1.805 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286337998 BRDDNYUCPXJABW-IAGOWNOFSA-N 410.478 1.723 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1286348548 LPZLCUQAKUUVJG-HXUWFJFHSA-N 400.571 1.800 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1286460486 NVRZMLOSWSXNMC-GOSISDBHSA-N 408.506 1.623 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCCO1 1286500990 JHECTDOAIHTHTE-GOSISDBHSA-N 424.534 1.902 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC(F)F)CC1 1286651776 LDWRROWBIMDYLM-LBPRGKRZSA-N 407.487 1.920 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793837 NIJIKLAXXDSTNW-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286819841 XJVQXIZDMJEVSV-YRNRMSPPSA-N 424.567 1.919 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1290932254 SDEPGEPSZUGGOG-UHFFFAOYSA-N 413.499 1.699 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC(=O)N1C 1291223942 PBTKKLVSJQAIJH-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C(=O)OC(C)(C)C)CC=CCC2)CC1 1292889596 HGJXNUSHPVAUHD-QFIPXVFZSA-N 403.523 1.338 30 10 HDEE CCn1cnnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1295976219 GPXZDNANLDANQX-BFYDXBDKSA-N 414.514 1.585 30 10 HDEE CCOCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1297534504 SOYZRLHMPKPMGU-FWWJWKNHSA-N 404.471 1.129 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C[C@H]1O 1299412706 DABACAUVPUYGEB-CEXWTWQISA-N 423.473 1.522 30 10 HDEE CN1CC[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1299745197 GNAFJSBWLBJPQQ-ANZKDXPISA-N 404.511 1.758 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300391877 HNCBGFLEBCLUJH-INIZCTEOSA-N 402.886 1.748 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300458299 GSYFGTGIUZHLDD-INIZCTEOSA-N 414.510 1.496 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1300534666 CUBNOVBVKNJCGA-UHFFFAOYSA-N 411.531 1.987 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCC(C)C)CC1 1300710569 GYFFBRDCSGOOTD-UHFFFAOYSA-N 402.543 1.818 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1C 1300780765 WJDUVWJKHXLSBW-YYAJDYIMSA-N 409.556 1.553 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301041058 JLFMBDLDJDBGHP-CYBMUJFWSA-N 408.890 1.793 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1301287459 SMDMMUHQNPVPLH-UHFFFAOYSA-N 403.487 1.595 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1)C1CC1 1301314652 ZNTDXVWIYRGFPK-INIZCTEOSA-N 410.588 1.919 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCc2ccccc21 1301412644 GRBPWGDUFGPFBR-QFIPXVFZSA-N 413.522 1.889 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCCOC)C1 1301499786 GACDKNSPTRKALG-SJORKVTESA-N 407.515 1.106 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1301505850 BKKNDCYBDQSOQZ-SFHVURJKSA-N 411.506 1.869 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1C(C)(C)C 1301519603 PXCGOUDDDNBDPW-UHFFFAOYSA-N 403.531 1.262 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2)C1 1301543683 OOEFPQWICBYORZ-YLJYHZDGSA-N 402.499 1.493 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1302848410 GVDILCZNHAUFSM-VHEBQXMUSA-N 410.482 1.429 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC[C@@H]2CO)C1 1302979274 PNFNDFWTTYIBJF-SQGPQFPESA-N 406.506 1.461 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)CCO1 1303009316 IFKSHNGNEUBOQV-JTQLQIEISA-N 419.230 1.117 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1 1307928709 FTTFSMSDFKOZJR-FCHUYYIVSA-N 411.527 1.917 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCCC1 1314393990 UEKVOBYJUCTKLP-UHFFFAOYSA-N 411.510 1.713 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1314827169 HPHKOVKSKJEUTB-IBGZPJMESA-N 407.421 1.972 30 10 HDEE COC1(c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)CCOCC1 1321239586 ZQPQZPFZYJAWIT-OAHLLOKOSA-N 411.418 1.651 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1358896273 AMHRPSJASRSBDG-ZDUSSCGKSA-N 420.315 1.518 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358936018 AEAVTQICNHEXBK-HXUWFJFHSA-N 405.499 1.621 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(OC)c1 1358938621 GKCCPBPBVVAMQT-AWEZNQCLSA-N 421.523 1.218 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1 1358949007 QSKGBBYMHSBYIK-KRWDZBQOSA-N 401.536 1.776 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358970639 UHWXFKGDZSLNDP-BBTUJRGHSA-N 402.495 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1([S@@](C)=O)CC1 1359019787 GUVBEQUTLGURKL-MUUNZHRXSA-N 402.520 1.951 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1359022446 AEQIDHBSQWDWNP-IBGZPJMESA-N 415.542 1.121 30 10 HDEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1359080885 HMSLKAPEVIOUAL-CQSZACIVSA-N 424.274 1.944 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359149202 QZSYUOJEWCIBSY-LBPRGKRZSA-N 406.874 1.815 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1360486539 FQPJGWCGQYHBIJ-AOMYARPXSA-N 423.477 1.172 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1442589890 FJWLJOZQLIBCOK-LBPRGKRZSA-N 404.305 1.775 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)cc1S(=O)(=O)NCC#N 1449452465 IKFDUIHSXPFCQH-GOSISDBHSA-N 414.443 1.274 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H](C)CC[C@@H]2C(=O)OC(C)(C)C)cc1 1452945948 FKEAWXCKDXCLKJ-RHSMWYFYSA-N 406.504 1.933 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCOCC2)cc1 1454685173 ZSCFUVJKIRCOHH-UHFFFAOYSA-N 424.482 1.530 30 10 HDEE Cc1cc(C(=O)NCCc2nnc3c(=O)n(C)ccn23)c(C)n1-c1ccc(C#N)cc1 1455875211 XNDNBQVGBYLKMQ-UHFFFAOYSA-N 415.457 1.680 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 1469729428 MJQZEAFBENNIHI-LPEHRKFASA-N 416.347 1.603 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)cc1 1471314321 BLXOYMMVUKAJMF-UHFFFAOYSA-N 405.520 1.319 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)cc2C1=O 1471332589 UZTYGNDIIKSRMS-GOSISDBHSA-N 409.364 1.752 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(C(F)(F)F)n(C)n1 1471557188 MJIIYDYJBBGRAY-LLVKDONJSA-N 408.388 1.521 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H](NC2CC2)C(F)(F)F)cc1 1472631254 WHBIHYKMULROCU-HNNXBMFYSA-N 403.426 1.401 30 10 HDEE C=CCCCS(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1475655440 HUKDTXASGPLIDA-UHFFFAOYSA-N 420.579 1.838 30 10 HDEE C#CCOCCC(=O)N1CCC2(CC1)C[C@H](C)N(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1489910653 ARDDZZGNLHZSDV-SIFVSHMBSA-N 400.519 1.679 30 10 HDEE CNS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503839081 BPVJUPCEMBIRJX-MSOLQXFVSA-N 416.551 1.769 30 10 HDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CCN(C)CC1 1505195334 DOXNLVVGJNNVGQ-INIZCTEOSA-N 419.599 1.966 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1507518787 CQURAOUDBNMVJP-JTQLQIEISA-N 400.302 1.538 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCOC2)CC1 1507593278 YJPKJYIRNCYOBO-MSOLQXFVSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)c1 1507609745 BEYLPKKXQQOBNU-UHFFFAOYSA-N 419.537 1.888 30 10 HDEE C#CCN(c1nnc(C)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1507627657 SYBVBYZKZBAGJL-QGZVFWFLSA-N 407.540 1.006 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1 1507846085 BZYVSMFVWSXBCV-SFHVURJKSA-N 418.567 1.747 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1507852958 FPMHXQZCVXVKED-JTQLQIEISA-N 422.342 1.664 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507865581 DGCFZSYIYJTPMQ-LSDHHAIUSA-N 421.933 1.799 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507895805 DAKCQQYFKYXNIL-DOTOQJQBSA-N 412.556 1.839 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C)C1CC1 1507993628 HFFLQXUGRRDNOH-UHFFFAOYSA-N 407.478 1.435 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1508161900 NZSFMSSNLSCLSA-MRXNPFEDSA-N 413.613 1.630 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CC1 1508407448 QWNXGCGPJDTVQV-CYBMUJFWSA-N 402.886 1.982 30 10 HDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1516809004 WVOKDWKODPDAIO-LBPRGKRZSA-N 408.484 1.036 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1521062670 HAGPAENJXQGXIH-HNAYVOBHSA-N 421.473 1.885 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N(Cc2ccc(C#N)cc2)CC(F)(F)F)C1=O 1525428675 OOPLSAJVQGPZEE-OAHLLOKOSA-N 411.380 1.861 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1528550099 GPTHYMDZWDPMGU-PCCBWWKXSA-N 412.449 1.884 30 10 HDEE Cc1c(C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cnn1CCC#N 1528622057 UWYCNEQEPSJRNU-UHFFFAOYSA-N 408.506 1.733 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1529533725 HUFLANUSWKJUQH-RRIFGTCXSA-N 408.520 1.805 30 10 HDEE COC(=O)[C@H]1CSCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535048190 BDBWRIRHARPCTI-SWLSCSKDSA-N 407.879 1.682 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnc4ncc(Br)cc4c3)C[C@H]1CS(=O)(=O)C2 1536180445 STPGIZWTRHPQMJ-LRDDRELGSA-N 421.276 1.403 30 10 HDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537829910 KKTOFTXKUWWTQJ-RDJZCZTQSA-N 423.491 1.109 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539116968 OVKAXXCNHRHIHS-CVEARBPZSA-N 419.493 1.019 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539517526 PGGXEGTZNIEYRZ-UZLBHIALSA-N 416.551 1.634 30 10 HDEE C=CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nnn(C)n1 1540189419 SRDSAVAWYSMVNT-UHFFFAOYSA-N 408.510 1.959 30 10 HDEE Cn1cnnc1[C@@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1540836685 GBHIYUMKSHSJGY-NVXWUHKLSA-N 421.461 1.298 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540870230 HVCGCMCVRYHDPZ-HZPDHXFCSA-N 404.515 1.317 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1540871515 NGINJRDKAOHTQW-UHFFFAOYSA-N 405.547 1.409 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2[C@@H]1C 1540902763 POWPLTADQZFDPM-YOEHRIQHSA-N 415.519 1.911 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1541801889 GODSMLTVZWYYEZ-GFCCVEGCSA-N 408.484 1.179 30 10 HDEE C=CC[C@@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1557162682 YQQXYYDMWFJNCO-KKSFZXQISA-N 408.543 1.911 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 1558073131 MIZVXUSNRBHTFJ-CQSZACIVSA-N 417.453 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(C#N)cc2[N+](=O)[O-])[C@@H]2CS(=O)(=O)C[C@@H]21 1559294472 LTJWZLXTDOIJHM-CVEARBPZSA-N 422.463 1.689 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@H]2CCO)CC1 1559959597 HNMWFFJMHVESGV-MJGOQNOKSA-N 404.486 1.468 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1562329911 LPOQNCJSZSMHMO-SFHVURJKSA-N 403.527 1.345 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1568773618 CCMYHQWIRXEMOP-IBGZPJMESA-N 423.517 1.862 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1588020173 HSPLOMMPSLCRRM-UHFFFAOYSA-N 404.492 1.512 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1588079078 QXZCVPTYBYGICN-AWEZNQCLSA-N 400.389 1.422 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1588233426 IVQMRDICQLKLJE-WMZHIEFXSA-N 419.485 1.732 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1OCCC1(C)C 1588580960 AXHSNIPTZQOOAB-UTKZUKDTSA-N 406.527 1.831 30 10 HDEE C#Cc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1595319669 BOZDSHMJBNSRJE-KRWDZBQOSA-N 406.504 1.822 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1595550879 JDBYTDBZPUTYIK-MRXNPFEDSA-N 404.559 1.912 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCn2nncc2C1 1596349988 PENBMYCOMWRRDI-INIZCTEOSA-N 416.507 1.164 30 10 HDEE CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1597765609 CVCKKTDZABBDFJ-SJORKVTESA-N 404.515 1.012 30 10 HDEE N#C[C@]12CN(C(=O)c3cn4c(Br)cnc4s3)C[C@H]1CS(=O)(=O)C2 1616337111 WGHQPQKWWBSJDI-ISVAXAHUSA-N 415.294 1.169 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CO1 1616345879 CQLOVYRNIHIWNX-NFPAXOPASA-N 407.467 1.156 30 10 HDEE Cc1nn(C)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)c1C#N 1617080066 ZTNHLGQVNDJTRX-GOSISDBHSA-N 418.816 1.798 30 10 HDEE C=CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H](C)COC 1617419511 CDWRZCFLBPSERY-HNNXBMFYSA-N 405.520 1.897 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1620610729 BPJSCTCIUJXDTA-UWVAXJGDSA-N 400.504 1.500 30 10 HDEE C#CCN(CC(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1)C(=O)OC(C)(C)C 1626618483 BZSODKCGZNORMT-UHFFFAOYSA-N 421.519 1.730 30 10 HDEE C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C(=O)OC(C)(C)C 1627434583 WQRSOAWJBCRBST-UKRRQHHQSA-N 421.519 1.551 30 10 HDEE Cc1nc(CN2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n[nH]1 1628646979 PEGQHPHVEQIKSC-UHFFFAOYSA-N 416.526 1.408 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 1628958591 KCFDTNPKROWPGT-MRXNPFEDSA-N 417.462 1.835 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1631607225 DAAVZSJSTUYXDD-IRXDYDNUSA-N 419.503 1.693 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OC 1635630648 OQHFGIFCHWFLSB-CYBMUJFWSA-N 411.411 1.420 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 1635790211 KUMYIIMWAGPXKT-UHFFFAOYSA-N 409.471 1.625 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1636429961 KPHBHVRHFNGMLB-GOSISDBHSA-N 415.490 1.932 30 10 HDEE N#C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636605250 OPRKWZGWYPWBDK-ZJUUUORDSA-N 422.326 1.054 30 10 HDEE CN(CCN(C)C(=O)Cc1cccc(C#N)c1)CCN1C(=O)c2ccccc2C1=O 1638122161 IOAPMRIVBOTLFM-UHFFFAOYSA-N 404.470 1.787 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c(C)n1-c1ccc(C#N)cc1 1638773493 SMTWTAAHBOOOSY-UXHICEINSA-N 413.499 1.994 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1641820651 XPTIIYUUXTVCMY-CYBMUJFWSA-N 418.437 1.749 30 10 HDEE CN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@H]1C#N 1642535829 BOYSSCHJWPJIEA-HOCLYGCPSA-N 407.492 1.667 30 10 HDEE N#Cc1cccc(-c2nnc(CN3CCc4sc(S(N)(=O)=O)cc4C3)o2)c1 1643897837 HWIKOUQPRCIXJA-UHFFFAOYSA-N 401.473 1.875 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOCC(F)(F)C(F)F)c1=O 1644133524 ATPOZYIEFIGJTK-UHFFFAOYSA-N 409.336 1.140 30 10 HDEE Cc1nc(N2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n[nH]1 1644242031 YHIPHVHTXHYXLG-OAHLLOKOSA-N 405.503 1.739 30 10 HDEE N#Cc1cncc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1645989723 JENXOTWOEKZBJI-UHFFFAOYSA-N 420.878 1.558 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1648535712 YINKSWUKONQCBR-WFASDCNBSA-N 418.519 1.389 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CCO)(CCO)CC3)ccc2c1=O 1648968366 PMTSIFFFPUPEON-UHFFFAOYSA-N 417.531 1.858 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] 1653725188 FJLDAILEYSDEKJ-LBPRGKRZSA-N 411.461 1.507 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](c4nnc(N)o4)C3)ccc2c1=O 1654756443 DQWKXLRMVLRWOF-LBPRGKRZSA-N 412.475 1.856 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1656040521 AUAPMTBQSLPMDE-WCQYABFASA-N 400.840 1.327 30 10 HDEE Cc1c(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cccc1OCC(F)(F)F 1668765532 CXAJGBLCLBSABH-UHFFFAOYSA-N 411.340 1.892 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 1671197392 POULCGQZVVJEJM-UHFFFAOYSA-N 406.552 1.518 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1671561170 CYLTVBTZSKVRNV-UHFFFAOYSA-N 411.510 1.120 30 10 HDEE Cn1cc(CNC(=O)NCc2nc(O)c3c(n2)CCOC3)c(-c2ccc(C#N)cc2)n1 1671561695 ISFISCXDQVYSIA-UHFFFAOYSA-N 419.445 1.526 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CC1 1672489140 CUPHVOBVKFMARP-UHFFFAOYSA-N 404.410 1.779 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 1676035226 HRZWOBLYAHLGSX-LAUBAEHRSA-N 406.527 1.505 30 10 HDEE C[C@@H]1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)O1 1682087498 AIQURAXGCNELFB-INMHGKMJSA-N 406.508 1.388 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NC[C@]12COCCN1C(=O)COC2 1684745507 FPEBQWKBLFJIIQ-OAQYLSRUSA-N 400.479 1.354 30 10 HDEE CN(C)Cc1csc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1686054715 CELMCTLQDGDAMU-JSGCOSHPSA-N 408.528 1.763 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1689908201 ZLXHJLDXSDTBNZ-WDSOQIARSA-N 403.527 1.863 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1690124860 VXWHAUVDFOCUIU-IBGZPJMESA-N 408.506 1.075 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2scnc2C)CC1 1690130190 BGOBPMAZANKBFX-UHFFFAOYSA-N 413.551 1.163 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1690137434 YRWLTLBBKDEAEM-QGZVFWFLSA-N 421.567 1.335 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690299261 LDIHPUYUEBOBCQ-SFHVURJKSA-N 420.558 1.168 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690530527 QAAPOSVBPCRTSG-LJQANCHMSA-N 411.554 1.829 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1690669613 JYPKMHSMGVWAHQ-UHFFFAOYSA-N 402.543 1.931 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1692855067 UVYFEKFBNXJEDA-LAUBAEHRSA-N 416.526 1.551 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1693916431 GAJILSMSBOUQJG-NRFANRHFSA-N 421.509 1.433 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1696579992 HVWYBEOXBDZAIB-JOCHJYFZSA-N 421.505 1.544 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1697778794 OORDUTRBFPRPMB-INIZCTEOSA-N 410.457 1.851 30 10 HDEE C=CCOCCCC(=O)N1CCO[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1701334079 ZKNKNXWENWSCIM-UQTLAFAOSA-N 404.507 1.223 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1705485006 AXWDABAPRLABBS-LPHOPBHVSA-N 422.493 1.574 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCOCC1 1705584984 GCVJIIKMDIZVGI-UHFFFAOYSA-N 409.538 1.323 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1705626215 MRPTYFGYHXRLEH-INIZCTEOSA-N 414.441 1.158 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1705641447 GDOWIAHDTPMIDQ-LJQANCHMSA-N 419.595 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 1705644958 HRAAIQXKPOKTMD-FQEVSTJZSA-N 412.513 1.994 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705666004 KPOGHBWAWDGSKC-CALCHBBNSA-N 404.467 1.924 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705727912 IRZMMFSRKZHFTI-GOSISDBHSA-N 402.543 1.525 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1705822288 ZISGREYIRIQXDL-UHFFFAOYSA-N 414.489 1.622 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOCC)CC1 1705902159 IAXADCCBOHHDIL-UHFFFAOYSA-N 402.499 1.307 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1705904501 QRHHDCCJWZVVKY-UHFFFAOYSA-N 420.602 1.964 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705932674 XVXCMLKXFFJGKD-CVEARBPZSA-N 421.571 1.198 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1709829762 AEUOZELRINCCHD-QFIPXVFZSA-N 421.505 1.592 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1710840822 GWFWEVDOVVZJGO-UHFFFAOYSA-N 410.482 1.350 30 10 HDEE CN(CCn1cccn1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1711215613 PBODJBDRBPGFJA-UHFFFAOYSA-N 417.433 1.771 30 10 HDEE COc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c1 1711918821 WALPIJIHRLEEPB-UHFFFAOYSA-N 413.459 1.701 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1712454221 BMSUIFOBEWRJFJ-FQEVSTJZSA-N 412.498 1.056 30 10 HDEE COCCN1C[C@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1712471346 DMHIGAPUIJZUHH-QZTJIDSGSA-N 416.526 1.234 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCN2CCCC2)c1 1712878283 BQPLHDHCOFGDTF-UHFFFAOYSA-N 414.535 1.537 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1712885407 KFCUVPUTFNYNAQ-SFHVURJKSA-N 418.567 1.572 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCS2)CC1 1722433440 VMUOMPQWKIMJMP-XLIONFOSSA-N 405.568 1.581 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1722433572 AHIXPGYKXSMLNE-HXUWFJFHSA-N 406.490 1.377 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722868346 FFXXRMANBFIAPZ-CQSZACIVSA-N 409.494 1.090 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740585704 AAGHXAVXQSJPCH-GOSISDBHSA-N 409.538 1.790 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCOC 1740616116 SUARSFCQOOYJMJ-IYBDPMFKSA-N 407.515 1.781 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740627830 SQSQLDCDRGVCOG-MSOLQXFVSA-N 421.611 1.834 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[S@](=O)C(C)(C)C 1740646453 ADWDUPIEALCHJE-LGGPFLRQSA-N 420.579 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOC(C)C)CC1 1740692572 LXWAWICXVGDXIQ-OAQYLSRUSA-N 405.543 1.499 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC[C@H](C2CCC2)C1 1740716097 LOKCENMFAMDGDQ-SJORKVTESA-N 403.552 1.849 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1740750150 MOBKNBJHKQSUOK-MSOLQXFVSA-N 403.527 1.704 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2)C1CC1 1740906842 RXACUWLHZYFQRK-CYBMUJFWSA-N 419.507 1.820 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740959333 SEBXCUHFPGNAPG-GOSISDBHSA-N 401.559 1.062 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@@H](C)C1 1740986542 ZZFDKSHFSBJVIF-HZPDHXFCSA-N 409.556 1.597 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCCC2)C1 1748731498 FFUUJAIZTYNRAL-MRXNPFEDSA-N 409.556 1.841 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1748803285 QTGFWNBSUUXQHP-GASCZTMLSA-N 404.515 1.597 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748818770 GBNMVLXHZZSQMB-INIZCTEOSA-N 418.494 1.160 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1748887717 GEDVZJFWOKJSRD-SFHVURJKSA-N 419.485 1.902 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnn(C)c2)CC1 1748992845 HVCOPZCJAJZPMU-UHFFFAOYSA-N 405.506 1.415 30 10 HDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1749242739 REGLZZAYYJGJFQ-WBVHZDCISA-N 405.524 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1749659762 JCIKIIPCEZVYQY-UHFFFAOYSA-N 409.494 1.470 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCN(Cc2ccccc2)C1 1749670402 SQVSDZIPKCIAOI-VQTJNVASSA-N 424.549 1.795 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2snnc2C)C1 1749721803 ULWNRRKQGYSOFL-UXLLHSPISA-N 420.539 1.992 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749740779 JXVAXVQUZMBYPF-AWEZNQCLSA-N 415.523 1.512 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CCC2)C1 1750215665 ANGNOKBWCJKATB-UHFFFAOYSA-N 400.508 1.746 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCC[C@@H]32)n1Cc1ccc(C#N)o1 1751221666 KTVZWVHZCGTSJK-ZENOOKHLSA-N 404.496 1.780 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)COCCO1 1751306428 WWHOYCCHQRTYHC-LPHOPBHVSA-N 423.539 1.116 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CCS1 1752387524 HUXDTLYJAQGSPE-HNNXBMFYSA-N 410.507 1.962 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760135957 OPKCZMCLSSZJKV-QFIPXVFZSA-N 421.505 1.958 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1760170568 IDOSJLLXIJPLGO-UHFFFAOYSA-N 407.478 1.441 30 10 HDEE C#CCN(c1nnc(C)n1CCN(C)Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760180865 MGWZGLNQVSJUME-LJQANCHMSA-N 419.526 1.484 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(C)COCCO1 1760209229 ALGUXVFUJRSCHP-QFIPXVFZSA-N 410.474 1.744 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1760237703 RXMXRWREZIUVSA-KRWDZBQOSA-N 404.540 1.567 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760518520 BASHPPPHUUITTC-NVXWUHKLSA-N 401.467 1.533 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(C)C)C1 1760534350 WLLYBVSVHKKEJM-MRXNPFEDSA-N 404.515 1.164 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1761551844 QMBFYDAOEJBUEK-DLBZAZTESA-N 405.462 1.460 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1766618867 OILQSGORHPHSAE-HDICACEKSA-N 401.467 1.615 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1769044140 OZVRPNVAHYANEH-VBKZILBWSA-N 410.482 1.402 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1770268832 MPADQAHJHQKTEE-MOPGFXCFSA-N 413.478 1.759 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1771189604 WLNCRKGKLVKVGJ-FRQCXROJSA-N 410.494 1.165 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1nc(C)cc1C 1771222457 IJUSNJHGCQROKT-MSOLQXFVSA-N 417.514 1.635 30 10 HDEE C[C@H](C(=O)NCC#CCN1CCc2ccccc2C1)n1nnc2ccccc2c1=O 1850211687 GPSWWFJHTMEWOQ-QGZVFWFLSA-N 401.470 1.530 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)n1 1851779806 KKSYWQYDIJBFFA-AWEZNQCLSA-N 410.865 1.703 30 10 HDEE CN1C[C@@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)CC1=O 1852036028 VURFMHCRCTVXDB-JTQLQIEISA-N 421.198 1.523 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1 1852615113 UWEKSIZNCQFQQE-QZTJIDSGSA-N 400.479 1.598 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 1853291270 LOLGEKLYGHEEFC-IBGZPJMESA-N 423.473 1.495 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCc2ccccc2F)C1=O)[C@@H]1CCN(C)C1=O 1853828699 OLYFMOAJKYOCSU-RBUKOAKNSA-N 401.482 1.995 30 10 HDEE C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@H]1CCS(=O)(=O)C1 1853850448 OXHJTMUQXGUBJV-YOEHRIQHSA-N 424.482 1.912 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853949095 XIURFGCYRGSSON-OAHLLOKOSA-N 413.455 1.385 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638193 IUNPDTOCQNJIBV-DYVFJYSZSA-N 407.467 1.835 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cncc4cccnc34)C(=O)C2)C1 1855045807 HLSZJNSMYQCVEY-AEFFLSMTSA-N 406.490 1.681 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)cc1 1855745907 RGEZINVTDXFNEQ-MRXNPFEDSA-N 420.535 1.551 30 10 HDEE Cn1cc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)nn1 1855997634 LZGLVEFPRIQAOA-UHFFFAOYSA-N 400.870 1.798 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnc(C)cn1 1856080071 BCDCTOSTVJMUTN-UHFFFAOYSA-N 400.460 1.711 30 10 HDEE CC(=O)N1CCC[C@H](CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)C1 1856094698 HNNJYNHKJGXPGQ-FQEVSTJZSA-N 410.518 1.809 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(c4ncccn4)CC3)CC2=O)cc1 1856240938 YGYZNRKRSCAELH-IBGZPJMESA-N 404.474 1.088 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)C1=O 1856911347 DFMBZGULHZMYOC-IBGZPJMESA-N 411.506 1.654 30 10 HDEE CCC[C@@H](F)C(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857126531 ZZXMPZFZNROCQH-PKOBYXMFSA-N 420.529 1.974 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c(C)nc3ccccn23)C1)[C@H]1CCN(C)C1=O 1857282127 RIQANJNOFPJOMT-IRXDYDNUSA-N 409.490 1.350 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1866634539 ZBNQQBLMRSGXJO-AWEZNQCLSA-N 414.487 1.874 30 10 HDEE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2ccc(C#N)cc2)cc(S(N)(=O)=O)c1 1867235913 YKYAOZVCZBVELW-UHFFFAOYSA-N 400.460 1.661 30 10 HDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC(CO)CC2)CC1 1868782229 FLVWAMBNNQFJKJ-QGZVFWFLSA-N 404.536 1.372 30 10 HDEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870508200 ORGLNWNGIOKLJY-UHFFFAOYSA-N 424.545 1.819 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCCN(C)C 1870511715 GBTURTVGTFTCLD-UHFFFAOYSA-N 404.555 1.877 30 10 HDEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873594939 IXHDBXNJXRMZIC-UHFFFAOYSA-N 419.489 1.611 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1890847044 GJGYQFBKFBSWKV-AEFFLSMTSA-N 407.511 1.535 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 1900405573 VKSTWNBBMUZNNX-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE C=CCn1ncc(N(Cc2ccccc2)CC2(O)CNC2)c(Br)c1=O 1915507122 DRCITNMWIRULMT-UHFFFAOYSA-N 405.296 1.533 30 10 HDEE C=C(CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)B1OC(C)(C)C(C)(C)O1 1991968776 ZBQWXSLSZQRPML-HNNXBMFYSA-N 409.336 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2010395322 IGRDFBOPBWNBBB-CQSZACIVSA-N 423.319 1.273 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 2054408899 WULRJQLZTJCDGZ-GOSISDBHSA-N 406.508 1.858 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2054409092 YNTQFCUHMLXOSK-FGTMMUONSA-N 409.508 1.785 30 10 HDEE C=CCC(C[C@H](O)CN1C(=O)c2ccccc2C1=O)(C(=O)OCC)C(=O)OCC 2140902665 WEQYUWCVVGCMJW-AWEZNQCLSA-N 403.431 1.722 30 10 HDEE C=C(CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)CNCCC 2165100462 RRYJZLNBOISDDE-MHZLTWQESA-N 403.593 1.955 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1 2174780536 VUYJIVPBKMBUKR-AWEZNQCLSA-N 404.508 1.796 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCCC(C)(C)[C@H]1C#N 2184352764 DMVZLFAILNQHKB-ZIAGYGMSSA-N 401.529 1.855 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@@]1(CO)C[C@H]1C(F)(F)F)C(F)(F)F 2192586650 ZYPUARYWDVPIIO-HFHMMWAZSA-N 404.229 1.663 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2243423460 ZLTZWJGEHRNDSL-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCOC1 2243676106 FRPZJCVIAPYPAT-FQEVSTJZSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C1COC1 2244548974 WUWBRYKHDOLGJR-HNNXBMFYSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247284766 CFIMYBPERIZSTL-HOTGVXAUSA-N 419.331 1.845 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[S@]1=O 2267711179 HNGFNSORNLQQQB-APXPCNQMSA-N 405.372 1.189 30 10 HDEE CN1CC[C@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281968239 VPCVMPAPEUKWLQ-KRWDZBQOSA-N 400.737 1.497 30 10 HDEE Cc1nn[nH]c1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306764 RQUDAMVQRVLQLH-UHFFFAOYSA-N 418.737 1.606 30 10 HDEE COC(=O)C[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282310129 PPUWZTBEOYHTKW-NSHDSACASA-N 403.331 1.586 30 10 HDEE Cc1cc(S(=O)(=O)NCC2([S@](C)=O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282325198 AZNZHZSWFOCNJX-VWLOTQADSA-N 419.399 1.545 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@H]3O)c(Cl)c2)OC1(C)C 2282507604 JXFBDXRICAVQTH-BXUZGUMPSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)[C@](C)(O)C3)sc2Cl)OC1(C)C 2282617894 NAEDOIQHMCTRDN-YVEFUNNKSA-N 401.721 1.659 30 10 HDEE CNC(=O)OC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282623347 DWDOSTICAFVEGU-UHFFFAOYSA-N 400.693 1.881 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCC[C@@H](O)[C@@H]3O)c2Cl)OC1(C)C 2282664028 XXXDFUPJHRMIBO-NQBHXWOUSA-N 401.721 1.705 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCN(C)C1 2282830560 WLKKEQNGPLQJJK-CYBMUJFWSA-N 400.375 1.586 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@](C)(O)C1CC1 2282841733 XQHPRWOKICIRIN-QGZVFWFLSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCC[C@@H](O)C3)c2)OC1(C)C 2282852462 PKMIBQUWDMMLMV-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(C)CCCNC3)s2)OC1(C)C 2282868360 MHVGBOGHGPGFQO-KRWDZBQOSA-N 400.375 1.715 30 10 HDEE C[C@H]1COC[C@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881875 DIQSVGANONZFQK-GXTWGEPZSA-N 401.359 1.844 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284395853 QDYCDBFBGOXOHL-LLVKDONJSA-N 401.315 1.745 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284398863 CSKXDDUUKYPNJQ-MNOVXSKESA-N 401.315 1.435 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410583 CQCUWLUQODHPHQ-LLVKDONJSA-N 421.371 1.532 30 10 HDEE COc1ccc([C@H]2C(=C(C)O)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 2295993340 OZQQBGGVKZDDPX-IBGZPJMESA-N 404.463 1.711 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(OC)c1 2330772703 DWCOVQAJJMYZGY-UHFFFAOYSA-N 407.452 1.079 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(OC)c1O 2330939122 IJEZSHVLNWAKBE-NSHDSACASA-N 407.452 1.312 30 10 HDEE C=CC12CC(CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2351702102 DBNAWPHJKCJZOR-GNZRSQJKSA-N 422.503 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)C[C@@]2(CCCO2)C1 2365255605 YAJOGYSSTODMIH-MOPGFXCFSA-N 400.541 1.701 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367784512 PCFCOFLKWZLJML-OWCLPIDISA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(NC(=O)OC(C)(C)C)CC(OC)C1 2367790262 GKGXVAUGKFNZLY-XAUUPUKJSA-N 400.541 1.617 30 10 HDEE C[C@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 409630886 MMYHUASICVZNKE-LLVKDONJSA-N 405.256 1.410 30 10 HDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)n[nH]1 440753417 PBYIDIQZDGUXFJ-UHFFFAOYSA-N 411.466 1.079 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2ccccc2OC)c1 443377720 BAODPGAHRBVTBO-UHFFFAOYSA-N 404.488 1.794 30 10 HDEE COC(=O)[C@H](O)C1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446622569 DRSMVZCPZMDEPQ-DAWZGUTISA-N 416.478 1.599 30 10 HDEE COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 462121905 IKXUAHDCUPBCBL-QMTHXVAHSA-N 406.240 1.846 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)n1 462450456 YOTBELALKYXCLR-UHFFFAOYSA-N 414.491 1.276 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 468310642 YTJFXKOBXHNCPY-JOCHJYFZSA-N 408.458 1.348 30 10 HDEE C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 472945484 AIGIOBQOBXOKPA-BXUZGUMPSA-N 406.368 1.936 30 10 HDEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477586621 CMTGVEGTKCHWCD-KRWDZBQOSA-N 405.520 1.930 30 10 HDEE COc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H](NC(C)=O)C1 479938881 IPFFWRDJJPFOKN-CYBMUJFWSA-N 410.268 1.835 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)c(F)c1 480702288 WHPFXGFJOVZOIS-UHFFFAOYSA-N 408.430 1.688 30 10 HDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 483468244 DMIUNZUSTHFLSI-PZJWPPBQSA-N 418.925 1.980 30 10 HDEE CCOC(=O)COc1ccc(CCNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489523948 SUBUWTOUPMTBEW-UHFFFAOYSA-N 403.460 1.725 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C#N 489575657 WRXQWWMSDLMRRV-INIZCTEOSA-N 400.460 1.220 30 10 HDEE CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCOc1ccc(C#N)cc1 491589079 NRUDUEMACVDWSI-UHFFFAOYSA-N 409.489 1.214 30 10 HDEE N#Cc1ccc(NCC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 501416619 IMDOGXWVCVJCIY-SFTDATJTSA-N 403.486 1.685 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1CCN1CCOCC1 515451098 BNORHYIRQBHXOT-UHFFFAOYSA-N 417.556 1.032 30 10 HDEE CC(C)Cn1ccnc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 524650403 YNPBMCXFDCJHAA-KRWDZBQOSA-N 408.462 1.932 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 532894544 IAILIPSCTQFWLO-KRWDZBQOSA-N 415.563 1.797 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 537894990 ROAXAOZDYFEQPP-JXFKEZNVSA-N 404.511 1.401 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 544750715 VVKAOGGCTUSQNR-UHFFFAOYSA-N 422.532 1.278 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(c3nc(O)n[nH]3)CC2)c1 549947999 LCCNVQBGQRLQAW-UHFFFAOYSA-N 412.269 1.713 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(Nc2cccnn2)CC1 559004462 NSIBZBOOHBHISJ-INIZCTEOSA-N 401.515 2.449 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604000766 AOQFNSDXGJQKJA-UHFFFAOYSA-N 414.490 1.800 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C)c2=O)cc1[N+](=O)[O-] 609311298 GOCSXCSTZNIBIY-UHFFFAOYSA-N 401.444 1.482 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC)c1 611548434 WRAASNRGNXBAGZ-QGZVFWFLSA-N 417.462 1.112 30 10 HDEE CN(C(=O)CN1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1(C#N)CCCCC1 613784850 LWJCWLCGYRGYLG-UHFFFAOYSA-N 416.547 1.748 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727815067 VNLPVFKMRRATJV-UHFFFAOYSA-N 413.524 1.836 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCCO1 729671029 BGCKDRIXQYZGFT-MRXNPFEDSA-N 422.510 1.465 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CCN1C1CC1 732649401 VEUFDXXKWNHAEP-INIZCTEOSA-N 421.478 1.876 30 10 HDEE N#C[C@@H]1CN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CCN1C1CC1 732650676 BKFFOGMYUIAYEK-OAHLLOKOSA-N 411.531 1.926 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732673875 AHZUJWYAZSKUOE-QGZVFWFLSA-N 419.551 1.645 30 10 HDEE COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N(C)C)cc1OC 732701156 PUZIBUZMNDSXSE-ZWKOTPCHSA-N 401.511 1.688 30 10 HDEE CC(=O)[C@@H]1CC(C(=O)NS(=O)(=O)Cc2ccccc2C#N)=NN1c1ccccc1 733675927 OOAZDCNYNONYEP-IBGZPJMESA-N 410.455 1.728 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N=c3cc[nH]n3[C@@H](C)C3CC3)cc2C1=O 741825779 LEVKTHVXAVKMKV-ZDUSSCGKSA-N 422.441 1.854 30 10 HDEE C[C@H](CC(=O)Nc1cccc(-c2nc[nH]n2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742672768 KDNLFLXITULHKN-GFCCVEGCSA-N 410.459 1.928 30 10 HDEE C[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1Cc1ccccc1 745812892 FSNAEOOHXWRANM-UAFUQJIBSA-N 411.506 1.819 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CC1 747336608 GWWGGQQVCWKWQN-UHFFFAOYSA-N 406.442 1.802 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(F)c(C(=O)OC)c1C)c1cc[nH]n1 753009436 QMMXTTFFGKHSHW-UHFFFAOYSA-N 406.370 1.566 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 756072555 LSKXUIDODFJYRC-JIQGDJCJSA-N 421.523 1.048 30 10 HDEE C=CC[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 756688134 YQPGEFWQUVJOML-CXAGYDPISA-N 410.268 1.269 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)CC2=O)cc1 760387173 AFQRSVVJBKHLOI-HNNXBMFYSA-N 419.503 1.968 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCC(=O)N3CCOc4ccccc43)CC2)n1 760776100 HBKMTKCSMKHDLS-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE CCN(CC#N)C(=O)C[C@@]1(C(=O)N(CC)CC#N)CCN(C(=O)OC(C)(C)C)C1 764876002 NWTXSLFPFAIVOY-FQEVSTJZSA-N 405.499 1.748 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 774163022 LNHXMOHSWVGDSN-SOLBZPMBSA-N 420.535 1.027 30 10 HDEE C#CCN(C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774211496 WNCARFLGABVEGJ-INIZCTEOSA-N 408.520 1.813 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)[C@@H](O)c1ccc(C#N)cc1 780205142 LMIFPBVIDDRBBI-QRWLVFNGSA-N 409.442 1.895 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780257445 YRLYMLNBPOYVMY-XOBRGWDASA-N 419.434 1.015 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)cc1C#N 780821982 NKETVVOXBHYSNC-UHFFFAOYSA-N 421.500 1.486 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)cc(C(=O)OCC)c2)n1 788695113 DQFFPWKWHBJSII-UHFFFAOYSA-N 423.466 1.669 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)n1 788811403 SYDQZRBFQQDXCA-JOCHJYFZSA-N 421.501 1.720 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 794894286 HULQDPWBCDJQHG-MANSERQUSA-N 420.506 1.726 30 10 HDEE Cc1ccccc1-c1nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 795323750 JHPWILIIJLSCSM-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCN(c2ncccc2C#N)CC1 797942982 AUBMVBZDKDMQMO-UHFFFAOYSA-N 402.524 1.133 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 801617845 REFLYQFWRAPSLN-QCZMXMRRSA-N 408.480 1.131 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c(F)c1 804161702 VQXQKINEERXSDT-LJQANCHMSA-N 408.433 1.621 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)NC3CCN(C4CC4)CC3)C2)c(F)c1 805585742 PUAVKOIUINMDLL-MRXNPFEDSA-N 414.481 1.810 30 10 HDEE O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N[C@H]1CCN(O)C1=O 816696203 UDZYBHGODHOGHA-LBPRGKRZSA-N 422.235 1.943 30 10 HDEE COC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 913108718 GERLKSQREVKJIU-UHFFFAOYSA-N 415.471 1.608 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)(C)C)c2)c(=O)n1-c1ccccc1C 917771809 LMRZNHNNUWAICA-UHFFFAOYSA-N 421.526 1.408 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1118797093 HMXJAOFZZCQYPA-OPAMFIHVSA-N 423.473 1.453 30 10 HDEE C=C1CCC(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1124552828 CFIHRTAEWZLBSV-INIZCTEOSA-N 412.533 1.837 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CCCS2(=O)=O)nn(-c2ccc(F)cc2)c1N 1136199739 ICRBWLMKMOPARX-MRXNPFEDSA-N 405.455 1.091 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 1137694074 GEEWTFWWMHCJRM-QGZVFWFLSA-N 403.481 1.742 30 10 HDEE COc1ccc(-n2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)cc1 1138110031 LNLLUZFOBICVNZ-CZUORRHYSA-N 412.450 1.765 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1143458202 MXQXPYWAIOWDEP-IRXDYDNUSA-N 406.527 1.259 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1148168903 COORWBPDNFJFBV-UZLBHIALSA-N 403.483 1.299 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H]4CCNC(=O)[C@@H]43)C2)C1 1153207158 CAGOPHHGDZHTRG-IDHAIZOVSA-N 416.522 1.900 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1 1157759537 BBJBSPYZFDNDEW-HOTGVXAUSA-N 419.478 1.274 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)nn1 1162480300 HLHSAIHWXMJRHB-UHFFFAOYSA-N 422.470 1.955 30 10 HDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)[C@@H](C)N1Cc1ccccc1 1164478269 CGVCURWUBNEZCA-GVDBMIGSSA-N 409.490 1.721 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCCC1 1164479954 MXQVNBKTALXNHN-INIZCTEOSA-N 421.519 1.428 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)C1CSC1 1166131877 MOVSKRIYBZGKST-UHFFFAOYSA-N 402.925 1.456 30 10 HDEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1166517773 GHFHQMVDXWLBFG-IPMKNSEASA-N 417.531 1.327 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@H]2CCNS(C)(=O)=O)c1 1190399013 GKPMPYWDILESFY-KRWDZBQOSA-N 406.508 1.110 30 10 HDEE C=CCC[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1190403124 PYMNBNMFUDVPAK-GJZGRUSLSA-N 420.528 1.440 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1196330404 XRQYOLFEPSNURZ-KDURUIRLSA-N 419.547 1.507 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)s1 1230238623 ZHVHYWMOPPFJBS-UHFFFAOYSA-N 413.507 1.278 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1286288110 GHNBAFQBYNBBAS-ZDUSSCGKSA-N 421.523 1.677 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286299075 ATAOGGISDNZECT-NVXWUHKLSA-N 422.455 1.985 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1OCC[C@H]1C 1286400477 AMPIOXMZBALUSD-VQIMIIECSA-N 412.515 1.846 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCOC1=O 1286403694 OLQIVKKJAWBDKA-UHFFFAOYSA-N 423.473 1.877 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1286405357 BATURGSUYJVRKW-UHFFFAOYSA-N 414.469 1.852 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)nc1 1286416337 YLQDJCULHGSRQS-UHFFFAOYSA-N 405.506 1.486 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccnc(SC)c2)CC1 1286477176 QLMFMVMRKATYFA-UHFFFAOYSA-N 406.519 1.656 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCC(=O)NC 1286561331 BEFCTTYRLVDBOG-OXJNMPFZSA-N 418.542 1.344 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286591639 OBKQYTFRFJVDGD-PXNSSMCTSA-N 424.553 1.690 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1286598806 DODHVKQPTNJPIO-UGKGYDQZSA-N 418.586 1.723 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC[C@@H]21 1286814675 VNQBIOBFIRNJQD-ZBFHGGJFSA-N 409.556 1.786 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCOC1 1286961095 RNUMHVUGLVBMFO-DLBZAZTESA-N 404.515 1.553 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCO[C@H]1CCOC1 1288098757 WVCCFPIHQOXBFI-KRWDZBQOSA-N 404.515 1.742 30 10 HDEE COCCC1(NC(=O)C#CC(C)(C)C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1288595384 AFMRFLHASCLDIC-GJNTUIEKSA-N 402.535 1.973 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)C 1288624666 GLEGRNSVMIWVIU-CVEARBPZSA-N 420.525 1.600 30 10 HDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1290521864 BZLLQUZDQDHJNK-GOSISDBHSA-N 404.478 1.724 30 10 HDEE C[C@@H]1C[C@@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1291040361 OYZOSSOROOLYJR-LVQVYYBASA-N 418.498 1.896 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCCO1 1291278806 CJOQNKMSFWGIQQ-AOMKIAJQSA-N 424.505 1.822 30 10 HDEE CS(=O)(=O)N1CCN(CCNC(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1292106829 YKCCVOGLMJFJLY-UHFFFAOYSA-N 404.536 1.063 30 10 HDEE C=C[C@H](COC)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1296764664 ANSQWSHIQDBGSR-JLTOFOAXSA-N 414.499 1.651 30 10 HDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1300002662 ZNYNWOMQDPEPSS-GDBMZVCRSA-N 411.455 1.242 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1300336906 PZOHRTHOIGMMRU-UHFFFAOYSA-N 422.537 1.743 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCO[C@@H]1C 1300475448 KCMJYVASTASUIS-IERDGZPVSA-N 400.479 1.865 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@]2(OCCO)CCOC2)cc1C 1300571132 TYDMXMFEGMEGJU-JOCHJYFZSA-N 412.490 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(OC)CCOC1 1300675931 WYUJAHQMSDQHHZ-HXUWFJFHSA-N 402.499 1.031 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300851441 UMFBIPICLRAGCQ-ZFWWWQNUSA-N 417.311 1.887 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@H](CNC(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1300950436 IGESOEYSQOWNCJ-FOIQADDNSA-N 410.515 1.489 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300989914 HHIYTYREUGCFBG-GOSISDBHSA-N 405.543 1.897 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301249715 XMNCRXSVVLJSQQ-IBGZPJMESA-N 418.523 1.343 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301259013 DXCIJTSDAJAIFV-MSOLQXFVSA-N 402.543 1.666 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC)C1 1301497463 XOQNUQGYBRIRJJ-CQSZACIVSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2)CC1 1301497816 FFQITFVOSKZCRN-SFHVURJKSA-N 423.521 1.248 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301596029 FRTTXDGSRUMBEU-HUUCEWRRSA-N 406.556 1.583 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)C1 1302979521 RCVKUIASGLNDBS-YZVOILCLSA-N 406.462 1.257 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1nccs1 1303847691 FHNNMTPZEBYYMU-SUMWQHHRSA-N 423.568 1.718 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)cc1 1304130928 FDRZXQLPJZAGRD-VIFPVBQESA-N 401.370 1.226 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 1307639784 KCQZXWHQEUQHKQ-CYBMUJFWSA-N 400.460 1.314 30 10 HDEE Cc1ccc(N(C(=O)CN2CCO[C@](C)(C#N)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C 1308113676 GIPGOMAXABPPTG-UYAOXDASSA-N 403.504 1.562 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 1312354178 UTLZLOROEAJNTC-LBPRGKRZSA-N 404.510 1.060 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2)nc1 1312370009 CHXNVVMDSCNDGU-IAGOWNOFSA-N 401.467 1.461 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)c1 1315560536 BGCJTBUCLXTIAC-DOTOQJQBSA-N 412.494 1.816 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1316351166 JMSVNIQXVFIVPW-WMLDXEAASA-N 415.491 1.023 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1358887059 PDJAVFUSTSLTIV-CQSZACIVSA-N 407.478 1.920 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1358954187 YAIGFTILMMDIGJ-UHFFFAOYSA-N 414.485 1.230 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1 1358978714 SKXDDDBSFXDHMQ-MRXNPFEDSA-N 402.907 1.955 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCCCS(C)(=O)=O)CC1 1359033505 FAWHSROCJFQYAI-UHFFFAOYSA-N 416.551 1.310 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OCC)c2)CC1 1359038471 XLPAQDUEJBLJRK-UHFFFAOYSA-N 422.533 1.603 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCC)CC1 1359054650 CEWDGUOPJOOCMI-UHFFFAOYSA-N 413.551 1.844 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359075929 KWZTXUCLFDLSNC-KRWDZBQOSA-N 423.315 1.139 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1359177192 DQJZFHXCQQSUFA-MRXNPFEDSA-N 419.555 1.363 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359177237 GAIGMVCZVNORHP-MRXNPFEDSA-N 404.540 1.906 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1359208047 DNELWLJDOGRMRY-CABCVRRESA-N 408.532 1.288 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359299129 WCANPBURTJHASM-DOTOQJQBSA-N 409.494 1.008 30 10 HDEE CC(C)(C)c1nnc(N(CCCCO)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359501370 DLGAWSHLDHANTP-ISLYRVAYSA-N 416.526 1.843 30 10 HDEE CC(C)c1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359683647 HFKPAXXCLXWHEN-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE CC(C)(C)n1nnc(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1435002039 FZWNKGGWONRROX-UHFFFAOYSA-N 404.478 1.739 30 10 HDEE C=CCC1(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CCOCC1 1435213659 QMRJOALPCLQKHD-UHFFFAOYSA-N 400.541 1.449 30 10 HDEE Cn1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)n1 1435358349 AKMHESCYPVOHTD-UHFFFAOYSA-N 409.418 1.609 30 10 HDEE C=CC[C@@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1447547732 DECLVZPZZYBSJT-GMYLUUGSSA-N 416.540 1.759 30 10 HDEE C[C@@H](CC(=O)NC1(C(=O)N(C)C)CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1449830842 HDZLJTGRHOVLLI-AWEZNQCLSA-N 420.535 1.411 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1450472779 YZYVXSOBPQMKIC-UAGQMJEPSA-N 418.494 1.797 30 10 HDEE CCOC(=O)[C@H](CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(C)=O 1452948826 BAPBOXPGESKJDO-GOSISDBHSA-N 423.473 1.755 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCN1S(C)(=O)=O 1453448472 UBOOFKIDDNEIPF-CQSZACIVSA-N 403.460 1.836 30 10 HDEE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1454630667 COCQFHCVKJHDSM-AWEZNQCLSA-N 406.487 1.996 30 10 HDEE C=CCC1(O)CN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1455690814 XPDAYCGMWZHOFB-UHFFFAOYSA-N 424.519 1.446 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)C1 1455706476 UMYQHJUZRUDQPF-INIZCTEOSA-N 408.479 1.891 30 10 HDEE C[C@](O)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(F)c1 1455957466 PCYHUFDQZOBZMY-IBGZPJMESA-N 405.451 1.655 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 1458929978 BHXTYKFYDYODQM-OAQYLSRUSA-N 424.482 1.966 30 10 HDEE C=CCN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@H](Cc1ccccc1)C(=O)OCC 1458996548 IZBPWSNHDRXRSN-YLJYHZDGSA-N 408.520 1.647 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1463088488 YGZGPCDGJSGYNN-UHFFFAOYSA-N 415.500 1.604 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1463750489 WIFTVJKVZZBAHW-HNNXBMFYSA-N 414.934 1.445 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)nn1 1464228140 KDHIPELLPHMMIV-SFHVURJKSA-N 403.508 1.578 30 10 HDEE C#CCN1CCC(NS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 1464588991 HAVFXLZZOFMKEZ-IBGZPJMESA-N 423.966 1.962 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc3nc(O)n(CC(F)(F)F)c3c2)CC1 1467453505 XCOZMFXINIUTKE-UHFFFAOYSA-N 408.380 1.906 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3C(F)F)C2)cc1 1467639357 OLWUHNHAJBYFFK-UHFFFAOYSA-N 409.418 1.949 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)C(C)C 1467660643 VZFFBIUMKVCIBY-SJLPKXTDSA-N 404.515 1.720 30 10 HDEE C#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 1470091632 VQNPMZCKSQPIII-UHFFFAOYSA-N 412.943 1.324 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)nc1 1470130119 YHEVUDNLRIZCEK-QWRGUYRKSA-N 423.317 1.966 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)cc1 1470598971 OZVZJZDJTMMJDP-UHFFFAOYSA-N 400.504 1.556 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1471125009 PKFMCJLYNGIEOS-SMDDNHRTSA-N 422.425 1.996 30 10 HDEE COC(=O)CC[C@H]1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1471681408 RJWSIFUXIJRSQC-OAHLLOKOSA-N 407.492 1.602 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](c4ncon4)C3)C2=O)cc1 1471968546 VNYBXJHFLDCODW-ZBFHGGJFSA-N 408.418 1.552 30 10 HDEE C#Cc1ccc(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1477192994 YVBRINCDOJYGAB-UHFFFAOYSA-N 413.455 1.634 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCC(n2nncc2I)CC1 1478493849 NULUQGSALYOTMB-SNVBAGLBSA-N 405.240 1.430 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCCO 1507611083 JFBUBSLTBXYMRZ-UHFFFAOYSA-N 404.540 1.860 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1507616865 OMYASSQPSVOSBT-KRWDZBQOSA-N 419.507 1.188 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507622866 MNANLBUGCRLRNW-LSDHHAIUSA-N 420.539 1.606 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507632438 LIZJXTDKWKOIGU-CVEARBPZSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507641626 BPUPTFWXMJCBOY-IPJJNNNSSA-N 416.522 1.803 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1507684785 IEFJUVMLCGQSNV-UHFFFAOYSA-N 416.503 1.753 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnnn1 1507700600 RRXZWYFZJQFLGE-QGZVFWFLSA-N 423.456 1.085 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[C@H]2CCOC2)CC1 1507737123 ZTJAJOWROKPXHL-KRWDZBQOSA-N 410.522 1.676 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507831806 FWPAHBKPIUQGKB-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccsc1 1508041957 WQEUSYXFWVHYRW-HNAYVOBHSA-N 405.524 1.837 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1508097825 KZYDKJLAOPWASO-UZLBHIALSA-N 423.583 1.810 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)OC(C)(C)C1 1508140216 KZRFASDYZFPTTR-AWEZNQCLSA-N 406.512 1.340 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1508161020 KHRXHZZCCBSEQD-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CC1 1519132664 UDWCXMXGAMRGFY-UHFFFAOYSA-N 424.505 1.564 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1525263603 RHKBRYAASLFHJA-UHFFFAOYSA-N 417.447 1.171 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3c(C#N)c(C)c4ccccn34)CC2=O)cn1 1526090469 MREGGRCOJZDAQH-OAHLLOKOSA-N 406.446 1.954 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO[C@H]3CC3(F)F)CC2)cc1 1531372580 ALFICWRIXCUAMX-INIZCTEOSA-N 413.446 1.499 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1532325512 WRRAQMQNJUHZEO-QAPCUYQASA-N 405.520 1.672 30 10 HDEE Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1C#N 1537451180 KPEZEHDFEKGKDX-UHFFFAOYSA-N 420.512 1.615 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cc(F)ccc1N(C)C 1538166147 ATMWEOQCXSQQPZ-LBPRGKRZSA-N 404.467 1.808 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1539139478 ITBJNSBQUNCWDN-MJGOQNOKSA-N 402.543 1.217 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539507254 VDCVYZFHHWCGSI-KRWDZBQOSA-N 410.503 1.134 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1539539752 YBYZEJARTWSYFO-IFXJQAMLSA-N 419.555 1.279 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539973727 CEUAZADMOHMFGI-QZTJIDSGSA-N 416.526 1.856 30 10 HDEE COc1cccc2c1OC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1542875505 KBXGRMZDAMRQRP-CYBMUJFWSA-N 404.419 1.865 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 1544116855 IQEYMOSKJZPKKP-NRFANRHFSA-N 406.398 1.944 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)c1 1545752692 BHSFVJBCKUKDBO-ZDUSSCGKSA-N 407.467 1.786 30 10 HDEE CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547018624 CUHKUQWCIRYCNF-LBPRGKRZSA-N 419.511 1.223 30 10 HDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555468981 GMNBJNPFKSXTIL-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE N#CCCn1cc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1556503269 NWXFVFVHEIMYOK-ROUUACIJSA-N 424.461 1.653 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1556504380 WCBRGLFHSKPODK-UHFFFAOYSA-N 406.486 1.414 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(F)(F)F 1557387969 MSBLFRDIPYXYJP-CYBMUJFWSA-N 421.397 1.411 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@@H](C)O)CC1 1557999047 XZMSWGVHGXRTIR-RHSMWYFYSA-N 407.536 1.759 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(CC(=O)NC3(C#N)CCC3)CC2)C1 1559973185 GOGZKSNSQGMZFS-HNNXBMFYSA-N 404.511 1.203 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1561550238 GIBIVZVJFJUNBX-MRXNPFEDSA-N 414.572 1.883 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC(C)(C)CNS(N)(=O)=O)cc1 1562264954 KOARCMBFHUINKN-UHFFFAOYSA-N 409.512 1.194 30 10 HDEE O=C(NCCCNS(=O)(=O)c1ccccc1Cl)c1cccc(C#CCO)c1 1568150864 HDHUJFOHLMKLOF-UHFFFAOYSA-N 406.891 1.782 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](N2CCNC2=O)C1 1584075334 PIUKDCSFHBFWAN-CVEARBPZSA-N 407.515 1.980 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)nn1 1585555325 IKPKSOZBJMABGQ-UHFFFAOYSA-N 407.496 1.433 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN(C)S(=O)(=O)CC 1587662969 SBYCHDQXVCMHEP-MRXNPFEDSA-N 421.571 1.269 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588075073 WWPORKCXYVCCJT-BQFCYCMXSA-N 424.567 1.645 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1588433949 UJTYICHMAAULFV-UHFFFAOYSA-N 416.489 1.894 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1595281983 BOIVKIIOQFOVBZ-KRWDZBQOSA-N 415.519 1.890 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N(C)CCNS(C)(=O)=O 1595330141 KIFARWUIKIIDAT-UHFFFAOYSA-N 417.333 1.218 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595561740 AKMLVHFAMMAGLL-CYBMUJFWSA-N 411.553 1.102 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CC=CCC2)C1 1595680367 JGIGHGAWKJQWCV-SIKLNZKXSA-N 417.554 1.973 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cnc(OC)c(C#N)c2)C1=O 1598433081 AGZQGDKPAHYJLU-HXUWFJFHSA-N 409.402 1.376 30 10 HDEE Cn1nnc(Br)c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648623 CMRBPOIHNXZUMV-UHFFFAOYSA-N 408.212 1.095 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccc(Oc3[nH]c(=O)n(C)c(=O)c3C#N)cc2)cc1 1611707959 DZLGWBSXKYRJBE-UHFFFAOYSA-N 412.427 1.847 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1611767515 OKOUHHQDGSKGJY-MAUKXSAKSA-N 410.544 1.589 30 10 HDEE COc1ccc(-c2nc(SCC(=O)N=[S@](C)(=O)N(C)C)nc(O)c2C#N)cc1 1613307739 HEJVKPHVKDRAND-NDEPHWFRSA-N 421.504 1.923 30 10 HDEE CC(C)(CS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1624936434 RTJULXSUSGRMSD-BIWSTMPVSA-N 413.540 1.713 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1626086765 BQZOWLJOOFFEJK-OAQYLSRUSA-N 416.526 1.727 30 10 HDEE CCN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1cccc(C)c1 1627265859 ULGYXQHSWAMTPO-YEDOZMOBSA-N 410.474 1.547 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1627412854 UVHLAXLQJOKWIP-GJZGRUSLSA-N 416.565 1.731 30 10 HDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C 1627433833 NGNFZTFRTUMEIF-YOEHRIQHSA-N 421.519 1.663 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2ccc(CC#N)cc2)C1 1627487406 JIUFUBVECFAZRV-QGZVFWFLSA-N 421.519 1.793 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 1627696551 JXIPMYKRFRGMGD-IBGZPJMESA-N 420.531 1.286 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1 1628355553 XFTGDYIDZOVYQO-QGZVFWFLSA-N 416.421 1.624 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1=O 1628787397 ZCKSLSOORZKKGY-UHFFFAOYSA-N 423.473 1.419 30 10 HDEE C#CCN(C(=O)Cn1c(O)nnc1O)[C@@H]1CCOc2ccc(Br)cc21 1629238472 KTWRWBHWNWCLER-GFCCVEGCSA-N 407.224 1.437 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(=O)n3ccccc3n2)s1 1631868126 WMGXTHVFXBKRSU-UHFFFAOYSA-N 418.500 1.079 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1632079003 UZMQBFDKWBZGKS-AWEZNQCLSA-N 400.479 1.781 30 10 HDEE CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1633523194 ADKBYHCAPSYTND-FQEVSTJZSA-N 403.442 1.947 30 10 HDEE CC(C)c1ncc2c(n1)CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1633668551 ZQHLUVUASPUDGS-AWEZNQCLSA-N 413.503 1.723 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CCNC4=O)CC3)C2)C1 1633848919 AJTRTVIRJYZEOA-JXORXQGFSA-N 416.522 1.902 30 10 HDEE C[C@]1(C#N)CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634987161 YUOKQODBWOCAKX-DYESRHJHSA-N 402.470 1.788 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](CC#N)C(F)(F)F)c1 1635288193 IYRURCARAFGLSF-LBPRGKRZSA-N 413.805 1.839 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)Cc1cccc(OCC#N)c1)C1CCCC1 1637752741 HKENYBJUKZOYEY-SFHVURJKSA-N 408.524 1.202 30 10 HDEE C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN(C2CC2)C1 1637865955 UQOCUHUFPDSMBO-KXBFYZLASA-N 409.490 1.706 30 10 HDEE CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639179783 YJDDEVRYMIWRNZ-QZNHQWIBSA-N 413.540 1.713 30 10 HDEE Cc1ccc(C(=O)Nc2ccnn2[C@H]2CCCOC2)cc1S(=O)(=O)NCC#N 1640137289 OLGFACIMMKTLRC-HNNXBMFYSA-N 403.464 1.597 30 10 HDEE CN1CCC(N(CCO)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1640279649 DQUDMTCWZHCBIX-HNNXBMFYSA-N 404.898 1.480 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1641300675 OZEBZBGXYHNQIA-AWEZNQCLSA-N 406.368 1.609 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1 1643524850 MWNJFBVTHXREAQ-JTQLQIEISA-N 404.288 1.411 30 10 HDEE C#CC(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1645271734 AEZPQYIXJYAANA-UHFFFAOYSA-N 415.918 1.656 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@](C)(Cn2cccn2)C(=O)OC)c1 1648492172 MQUJDQNAWUALFJ-LJQANCHMSA-N 403.460 1.042 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](c3nccc(O)n3)CC2)cc1 1653447639 NQQMILKVCRBPAZ-KOMQPUFPSA-N 414.487 1.550 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3c(nnn3-c3ccccc3)C2)c1 1653684849 SYCKFAUSMOIGNG-UHFFFAOYSA-N 400.442 1.955 30 10 HDEE N#Cc1cnn2c(O)cc(CN3C[C@@H]4CCCS(=O)(=O)[C@@]4(C(F)(F)F)C3)nc12 1656529986 NBKNITGQRWSFJT-NHYWBVRUSA-N 415.397 1.248 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)c1 1657284855 IKFDKLHBJMHMDG-OAHLLOKOSA-N 418.475 1.632 30 10 HDEE CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1665919735 HZPJIDZTIATEOL-FQEVSTJZSA-N 400.504 1.663 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1669870396 XFANTCVNODDVJV-ZFWWWQNUSA-N 418.537 1.716 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2CC[C@]21CNC(=O)OC(C)(C)C 1670882052 BPQKIHFJILHLBJ-KSSFIOAISA-N 401.529 1.676 30 10 HDEE C#CCOc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1674518989 OYGYWIRYEZIDCA-FXUPRZHBSA-N 420.487 1.719 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@@H]1n1cccn1)[C@@H]1CCS(=O)(=O)C1 1682609444 SBYZNFQMOOQVFK-WCXIOVBPSA-N 408.524 1.212 30 10 HDEE CCOC1CC2(C1)C[C@@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1683899501 XKLPJJADPUXPJU-IPCDKGFNSA-N 418.519 1.532 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1689847754 HGUXUBMYXJVKLG-HOCLYGCPSA-N 412.494 1.722 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1 1690045515 LUCIJJLQGFWLIW-HXUWFJFHSA-N 422.508 1.963 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1690057542 BGJFSFDBOKXSFH-UHFFFAOYSA-N 416.507 1.210 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C)n(C)c2=O)CC1 1690130855 ORQFASGQBZXNAO-UHFFFAOYSA-N 408.550 1.821 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690167404 HZTRHJIPLJCNOJ-HNNXBMFYSA-N 405.549 1.720 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cnccn1 1690245256 GFGBVKXRIKVERJ-SUMDDJOVSA-N 411.510 1.679 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)CC1 1690253149 NFTRMRYQALQBJN-FXAWDEMLSA-N 415.542 1.856 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1690359309 YCOBFADYFQPELZ-KBXCAEBGSA-N 413.906 1.960 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOCC(F)F)CC1 1690397133 WMULPXFBERWNQN-GFCCVEGCSA-N 407.487 1.572 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCC(C)C)C1 1690655375 RBPMARDNHSDAFY-MRXNPFEDSA-N 404.515 1.068 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1690659072 JASZBZGHFRKUPC-AWEZNQCLSA-N 402.503 1.278 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2CCC[C@@H]21 1690731880 SFRZQVUTNKIERS-XSLAGTTESA-N 424.567 1.982 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCC1CC1 1691098895 DBUNOLXLALHONZ-UHFFFAOYSA-N 422.537 1.695 30 10 HDEE C[C@H]1CCCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1693685218 HXQFDOWIUZSAAG-ROUUACIJSA-N 410.526 1.976 30 10 HDEE CCCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1695268068 NYJDSIBZPRTMAP-OAHLLOKOSA-N 412.560 1.835 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1705566700 PNIQKASWQZSSED-CABCVRRESA-N 416.494 1.844 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1705581019 REIKSCIRSYZTKQ-GOSISDBHSA-N 418.457 1.307 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2COc3ccccc3O2)n1 1705631893 RVQPNURIEJYTQY-IBGZPJMESA-N 422.489 1.909 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1705670477 WBQWHADYXOMKKX-JOCHJYFZSA-N 414.473 1.962 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1705764092 NPMVWBMGNVDHQJ-NRFANRHFSA-N 412.494 1.629 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1705806192 YOFGOKLPQQLLJD-ILXRZTDVSA-N 410.496 1.651 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1705906540 ILDOPNCZQBMSCX-SFHVURJKSA-N 424.505 1.892 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1706743897 GSAADYBJNXLASJ-HNAYVOBHSA-N 405.572 1.690 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1722346464 XXJYTJINFRDGBV-CQSZACIVSA-N 419.507 1.051 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NCC=C)CC1 1722435973 UBFYGHGESUQBPU-UHFFFAOYSA-N 415.501 1.551 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOC[C@@H]2CCCO2)CC1 1722438655 WZAFEIQNJNKNHF-SFHVURJKSA-N 411.510 1.076 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnccn1 1722457903 RSJOWRMOPTWXFZ-UHFFFAOYSA-N 411.491 1.799 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCS(C)(=O)=O 1722509532 XRKUJRYFLZDRBK-IAGOWNOFSA-N 405.524 1.802 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)OC)C1 1722624894 KVHIXBMMYOTNFD-AWEZNQCLSA-N 417.466 1.598 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CC(F)C1 1722689994 CFISWTFPNGNLSB-UHFFFAOYSA-N 401.446 1.412 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@@H]1CCOC1 1722697903 QKWAMAPULZATOI-GOSISDBHSA-N 407.478 1.658 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)C1 1724003719 DCFLQLILKDZTCT-SFHVURJKSA-N 409.441 1.025 30 10 HDEE CN(CCC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729513820 KBMMHHHEUBRVIE-QFPXGYFVSA-N 400.483 1.545 30 10 HDEE CO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730976527 QXFWRBQJMQKOLJ-ZBBYCGENSA-N 423.477 1.015 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740582104 KCENFPPJZUFNCZ-UHFFFAOYSA-N 424.505 1.531 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1740671279 CPLKKOJWYGAIQB-HNNXBMFYSA-N 423.564 1.590 30 10 HDEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740822083 HOONJHRAMFQOHP-INIZCTEOSA-N 402.524 1.778 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1740891035 PBIVIFGTJKKBOO-HOTGVXAUSA-N 414.576 1.011 30 10 HDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC 1740952642 JZMIQLCMIJRQCK-UHFFFAOYSA-N 405.528 1.305 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740987568 WKFMQQXHROIKMH-CQSZACIVSA-N 423.926 1.511 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1741003603 YBZCSBUDRNSRGV-XHSDSOJGSA-N 414.597 1.961 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1748054840 BXORRCVXWMZZSG-JYJNAYRXSA-N 401.515 1.078 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748716201 WCARQLABXWPWLY-GOSISDBHSA-N 402.543 1.232 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1748725322 ZKGOMWVZEYCLDJ-QGZVFWFLSA-N 406.556 1.813 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1748801540 CKKXWYIJIBRUSJ-OAHLLOKOSA-N 405.524 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(C)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1748949494 BRVSHQXRKUUNSN-FGTMMUONSA-N 419.526 1.697 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCc2cn[nH]c2)CC1 1749017226 XOBJKBYLTBEPSV-UHFFFAOYSA-N 418.505 1.196 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1ccnc1C 1749053262 FCMSEJPIDOGKBD-HNAYVOBHSA-N 419.555 1.476 30 10 HDEE C=C(C)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1749207057 AYDZEYDONADSAH-LJQANCHMSA-N 412.556 1.910 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1749597855 NVLNBXYKDDILIR-INIZCTEOSA-N 405.524 1.722 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1749667235 VFBBLRBDKSLCRU-IIBYNOLFSA-N 412.494 1.335 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1C(C)(C)C 1749682617 WUENZVOJECMFBU-UHFFFAOYSA-N 405.547 1.508 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 1749726174 YXNRIGAGRWDZLA-BGYRXZFFSA-N 415.563 1.756 30 10 HDEE COCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1750033669 KUSNHBMIASQWKK-PKOBYXMFSA-N 413.478 1.584 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H]1COCCO1 1750139265 KYYBWOLEMFPVPM-RCJHGTSTSA-N 409.462 1.250 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1751276565 CJYASIYBAKFWKF-QFBILLFUSA-N 407.540 1.737 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760156091 UNDFPLCDJNBZDY-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnc(C)s1 1760248216 FAYKOBNWAMHLOE-UHFFFAOYSA-N 414.491 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@H](F)C2)CC1 1760264790 FOVKOUDDOYZCBC-DOTOQJQBSA-N 418.517 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@]2(N(C)C)CCSC2)CC1 1760270674 VRMCKBMVKLGIBH-HXUWFJFHSA-N 404.584 1.244 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCC(=O)NC 1760275610 BXTUYTHHRQZSBQ-UHFFFAOYSA-N 402.480 1.792 30 10 HDEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760443398 SWAIIGOEFLSBNA-SFHVURJKSA-N 408.506 1.177 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncccc2N(C)C)n1 1762457964 CBBUQFBJZBVEDZ-QGZVFWFLSA-N 421.509 1.378 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC2([S@](C)=O)CC2)CCOC1 1767449937 HSYXKRFKVHCSDO-HWUKHBRESA-N 421.567 1.971 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1769322354 GCVRCHSAKJUTFE-ZIAGYGMSSA-N 418.523 1.211 30 10 HDEE COC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1769508682 FYRBIFCARWMBOW-AWEZNQCLSA-N 420.539 1.821 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(N)=O)c2)CCO1 1770750941 AQZWTQQXGSLXBK-GOSISDBHSA-N 403.446 1.140 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1771305052 RCNAHGDAUKHQHT-IMJJTQAJSA-N 421.889 1.281 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(N(c3cc(N(C)C)ncn3)C3CC3)CC2)CC1=O 1848638432 UUFVVIFTHFBGID-INIZCTEOSA-N 412.538 1.537 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCCN3CCC(C#N)CC3)C2)cc1 1850279085 ULBLIIGWMRCYLP-LJQANCHMSA-N 418.563 1.748 30 10 HDEE CCOc1cc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)[nH]n1 1851215245 HYRVVWAMOWQESH-QGZVFWFLSA-N 400.435 1.617 30 10 HDEE COc1ccc(OCCC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1851261864 FVFLQPAAXLLVER-UHFFFAOYSA-N 420.473 1.993 30 10 HDEE CC(C)(C)[C@H](C(=O)Nc1c2c(nn1CCC#N)CCC2)N1CCS(=O)(=O)CC1 1851786511 XVDGIGPIZYSNCL-INIZCTEOSA-N 407.540 1.369 30 10 HDEE Cc1nc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c2ccccn12 1853861063 NIAKHKRQVVSIPP-UHFFFAOYSA-N 401.426 1.682 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c(OC)c1 1854957377 XMLZUVSSNBKNMC-IRXDYDNUSA-N 414.506 1.755 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)c3cccc(-n4cnnn4)c3)C1=O)CC2 1855101077 UMXBRODSFXJXDG-AEFFLSMTSA-N 405.462 1.419 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cccn1 1855447820 MMBLEBRRFJQBQF-OXQOHEQNSA-N 407.474 1.987 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(CC(=O)N2CCOCC2)C2(CCCCC2)C1=O 1856254459 ZNGCCHXDNDTMNV-SFHVURJKSA-N 405.539 1.821 30 10 HDEE Cc1csc(CN2CCN([C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)n1 1856576570 XYTKVTSAXCVPCL-GOSISDBHSA-N 409.515 1.882 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1=O 1856723807 XBQTXLWLSOJGHS-HZPDHXFCSA-N 415.519 1.175 30 10 HDEE CCc1noc(CN2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)n1 1856849847 HTPAXDCRXHJRPW-QGZVFWFLSA-N 408.462 1.063 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1857024023 PZLIWWLKXYFLQR-AEFFLSMTSA-N 423.579 1.606 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C2)CC1 1857205548 LCXFCHBEMLPUCF-PKOBYXMFSA-N 412.490 1.864 30 10 HDEE N#Cc1ccc(CC(=O)N2C(=O)CN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1857219839 SXFIPKDXTGBZSB-SFHVURJKSA-N 423.494 1.915 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4ccc(C#N)cc4)C3)ccc21 1858415722 HKMOBSWKHXTLMG-HNNXBMFYSA-N 424.482 1.726 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H]2CCCO2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711916 WBJZOOONBHZWLG-QGZVFWFLSA-N 424.505 2.000 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(NCCOCCO)ncnc2n1CCCOC 1875223620 UDLABPQRQGLRGA-UHFFFAOYSA-N 417.510 1.703 30 10 HDEE CC(C)CN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 1964838816 FKJFYYXAKXRHMY-OAHLLOKOSA-N 401.529 1.809 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010401277 CEYGFAPCECJQEK-CBBWQLFWSA-N 422.331 1.907 30 10 HDEE C[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2046026322 QESVSCCIMVZHBG-KPZWWZAWSA-N 411.455 1.513 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](C)(C#N)C1 2051632797 MTFNKNSYFMHIMA-RBUKOAKNSA-N 407.467 1.966 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@@H]1CO 2178918127 CSHVPAQRRHQLLC-HUUCEWRRSA-N 401.529 1.608 30 10 HDEE C#CCN(C(=O)OC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 2180139419 HKUWIHKVUZOCTD-CQSZACIVSA-N 400.497 1.645 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)N[C@@H](C(=O)O)C(C)(C)S)(CO1)C2 2195307016 MOIFLMGBRCOPQY-NBHSMZAVSA-N 402.513 1.728 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c1 2205554598 ISCBLPDCOPALFT-KRWDZBQOSA-N 404.923 1.964 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2236960175 QKHCKBJPTDNANA-PZROIBLQSA-N 402.513 1.680 30 10 HDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243393984 BLXQNVUMZGPSLZ-HUUCEWRRSA-N 408.304 1.762 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825443 DSWNZQYALNHBEV-AWEZNQCLSA-N 422.335 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826116 OILPBYOJOBBGSI-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2247838003 BBVHIVLBKHODSK-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE C=C[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258158305 JNCDUNGWEDOVAM-NVXWUHKLSA-N 410.492 1.682 30 10 HDEE C=C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258171639 WBGRKLGHFQLZTP-IAGOWNOFSA-N 410.492 1.729 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cnns1 2267357917 CFASQARWVNJHHW-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CN)C(F)(F)F)s2)OC1(C)C 2267714210 VQWIWRDDSLACSI-MRVPVSSYSA-N 400.253 1.215 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2269017336 UKVTZRCQEKDPIE-UHFFFAOYSA-N 409.360 1.374 30 10 HDEE CO[C@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282306732 RFMPHWIKPPYICJ-INIZCTEOSA-N 405.347 1.031 30 10 HDEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282329441 MFDOIRNWPPRUAT-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CC(C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2282334889 HUYUGHOJFUPRLJ-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE CC1(C)COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282500963 QKAZQHSGVZWANS-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE C[C@@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282541873 AIMZBOBURFKDRQ-ZHZWEUQESA-N 403.741 1.260 30 10 HDEE CN1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@H](CO)C1 2282643356 ZRXKKOOBJOBYRL-NSHDSACASA-N 400.737 1.449 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4CC3(CN)C4)cc2Cl)OC1(C)C 2282830579 WRJOKGLDVRTNMO-UHFFFAOYSA-N 418.777 1.813 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2282835598 XDIVHRQLMFRVFD-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](N)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282845877 ACNYARGRERGOKN-CYBMUJFWSA-N 400.375 1.761 30 10 HDEE CC1(C)[C@H](N)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282847751 DJWUVTXUNGEWFI-WCQYABFASA-N 400.375 1.699 30 10 HDEE CN1CCC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282860798 GNODRRBQKFWRRW-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE Cc1nnc(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)s1 2282872773 BGZROWBSXISUEP-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(O)CSC3)c(Cl)c2)OC1(C)C 2282908089 XAGHSBZHSIDNLS-UHFFFAOYSA-N 419.761 1.395 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@](NCC#CBr)(C(=O)O)CO2 2305997059 ZHKVEWRKKNKIHI-CVEARBPZSA-N 403.273 1.555 30 10 HDEE CCCSc1nnc(CNC(C)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330776879 GXAMHHROQBTVQA-UHFFFAOYSA-N 420.451 1.978 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)c2ccc(C#N)nc2)CC1(F)F 2361787145 BBQLLQRNJKGIOH-OAHLLOKOSA-N 402.423 1.876 30 10 HDEE CCN[C@@H](C#CC(C)(C)OC)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363516270 DZYDDWQOBHKVKD-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367785842 GMABEHLSGOWFSI-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788492 PRCUGAVUEJIIFH-KBPBESRZSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367792688 RETXDJHBIQVVKQ-HRCADAONSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2367802083 XZLHNJYYDUAALM-CRAIPNDOSA-N 400.541 1.571 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367821018 IJXATHYYTROAEC-NXEZDXNNSA-N 400.541 1.148 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367832322 ZJCJTCUEFCJFPF-GJZGRUSLSA-N 402.557 1.599 30 10 HDEE C#CCCN1CCC(=O)N([C@@]2(C(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)C1=O 2378465147 TUUUWTDPJBAUGF-KKSFZXQISA-N 413.430 1.576 30 10 HDEE COc1cc(NC(=O)CSc2nnc(N/N=C/c3ccco3)n2N)cc(OC)c1 20527780 UMCRLILVQMAMBE-DJKKODMXSA-N 417.451 1.779 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1 62898000 LIHNLEYCSXDSPZ-UHFFFAOYSA-N 409.402 1.369 30 10 HDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 71530843 ZOSVHSRVHURMHE-ZDUSSCGKSA-N 424.504 1.514 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc(N(C)C)cc3)C2)c1=O 101764768 KOIBPJDUHZLQJS-INIZCTEOSA-N 411.462 1.582 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)C1 238828530 FINCRGVHYVLUID-QGZVFWFLSA-N 424.436 1.799 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254697051 JSHANEVQVKNTMY-KGLIPLIRSA-N 410.473 1.355 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 410148772 SHKNWEORSDKNKE-SNVBAGLBSA-N 413.301 1.660 30 10 HDEE Cn1c(Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)c(C#N)c(=O)n(C)c1=O 436423906 BUIAZJZMDZESFO-UHFFFAOYSA-N 407.352 1.541 30 10 HDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)o2)c1=O 440386343 CFWHUKTVWFPRPZ-UHFFFAOYSA-N 405.435 1.789 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@H]1CCCO1 440390302 ZXPANEOTEQMNLC-OAHLLOKOSA-N 415.515 1.410 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 460269428 RHYMILIWMKVWRA-MRXNPFEDSA-N 407.426 1.878 30 10 HDEE C[C@@H](C(=O)Nc1cnc(N2CCOCC2)c(Br)c1)n1cnc(C#N)n1 466875267 WPPADNIYAAYMIX-JTQLQIEISA-N 406.244 1.344 30 10 HDEE COc1ccc(CN2CCN([C@@H](C)C(=O)NC3(C#N)CCC3)CC2)c(OC)c1OC 468981398 MNZGWHXOQPVAPF-INIZCTEOSA-N 416.522 1.781 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnn(Cc3ccccc3)c2)CC1 477186430 LIPLCHLKLXQMCK-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccccn1 488899479 OSDLRSRSGDLVAJ-ZDUSSCGKSA-N 400.508 1.744 30 10 HDEE Cn1cc(OCC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cn1 503289063 YEANEUVSTOUAAV-QGZVFWFLSA-N 418.295 1.970 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 506152391 XCRCNOYYSTWLMO-UHFFFAOYSA-N 400.464 1.317 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccc(F)cc1 514647013 SWPGTXONYIYTQA-UHFFFAOYSA-N 423.444 1.959 30 10 HDEE Cc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1S(=O)(=O)NCC#N 519459356 HBYIQFFEYXREGA-SJORKVTESA-N 423.560 1.924 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)CC1 523299678 YXAJMCQTDIIVTI-HNNXBMFYSA-N 401.463 1.586 30 10 HDEE COc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cc1[C@]1(C)NC(=O)NC1=O 533583309 FHWFTZXNXPAOKS-VOJFVSQTSA-N 406.464 1.063 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](C(N)=O)c3ccccc32)CC1 537272564 DOOMRZFILKQIRP-IEBWSBKVSA-N 423.542 1.936 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3nnc(-c4ccc(Cl)cc4)n3)CC2)n1 544863849 FENDPYSPNLNNHS-UHFFFAOYSA-N 408.853 1.609 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2nc(C)no2)CC1 555268488 MIGLGLXIFZUWHX-UHFFFAOYSA-N 400.487 1.104 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cc1S(=O)(=O)NCC#N 573048740 RDJIJTOSTBLBAL-QGZVFWFLSA-N 415.519 1.862 30 10 HDEE C=CCOc1cc(NCC(=O)Nc2nnc(COC)s2)ccc1-n1cnnn1 586322576 JWLPOWKVLVJAJC-UHFFFAOYSA-N 402.440 1.276 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 604484585 RJGDFXPJNVSJBS-ZDUSSCGKSA-N 403.460 1.731 30 10 HDEE C=CCN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@H](Cc1ccccc1)C(=O)OCC 619583948 NOZCNKBSRBGHNR-GOSISDBHSA-N 417.487 1.532 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)s1 732647367 GZOLXWAKLXXXHX-NVXWUHKLSA-N 422.576 1.656 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C4CC4)[C@H](C#N)C3)nc12 732672877 OUHAOTGGSNGNGO-MRXNPFEDSA-N 421.530 1.996 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CCN1C1CC1 732708032 KSYFCZIXEKDTGP-IAGOWNOFSA-N 416.453 1.521 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)cc1C 745046010 VKKRWULMFVNSFG-UHFFFAOYSA-N 400.435 1.424 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)[C@@H](C)Oc3ccccc3C#N)cn2)c1 749002921 LQAAELRMVHFUJY-CQSZACIVSA-N 411.443 1.720 30 10 HDEE COC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760621649 VPRFBWBPDFVWQP-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C[C@@H]1NC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)=NN(c2ccccc2)C1=O 764430137 BPYCODKELBKMJW-ZDUSSCGKSA-N 400.402 1.416 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCC(OCCC(=O)NC)CC2)c1=S 765059764 MVOOHPMCIYASNN-UHFFFAOYSA-N 417.539 1.632 30 10 HDEE C#CCN(C(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774166025 DOBKUEUKXSWSOL-ICSRJNTNSA-N 418.563 1.029 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/c2ccc(NS(C)(=O)=O)cc2)n1 788813806 JQICNKXWHGKVGV-JXMROGBWSA-N 416.503 1.576 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)n1 789122744 IDQXKHAKEPZQSG-HNNXBMFYSA-N 415.416 1.228 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1C#N 789659206 JBEOZINDMLLFLK-FQEVSTJZSA-N 406.486 1.964 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 790017122 YZDLIMBROPKQGQ-SWECJTRISA-N 403.552 1.400 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360609 LBDLDUILQWDYAD-UHFFFAOYSA-N 402.479 1.457 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@](C)(c3ccc(F)cc3)C2)c1=O 794891806 IXZIYJWDVIFRAP-OAQYLSRUSA-N 400.454 1.304 30 10 HDEE CCN1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 801668721 NTLGYYKUYKUEBN-MOLDEKSUSA-N 407.496 1.242 30 10 HDEE COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802475745 NJGFJFBNKJESER-QGZVFWFLSA-N 412.494 1.689 30 10 HDEE C#CC[C@@]1(C(=O)N(C)CCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 809705012 LOWREYLPZQEKRJ-IBGZPJMESA-N 413.540 1.273 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@H]4CCN(CC)C[C@@H]43)ccc2c1=O 818038602 GUCDCWBOARHQJP-ZWKOTPCHSA-N 414.531 1.806 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856674042 HBJBRUJWAGKHTR-IBGZPJMESA-N 404.492 1.347 30 10 HDEE N#CC1(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCOCC1 1125011976 XSMXXMUTZIIBOL-UHFFFAOYSA-N 421.519 1.175 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129022065 ZRSNACXLFZMOIU-KSSFIOAISA-N 401.529 1.223 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2 1130821365 RBMLFHVKJUTSBV-UHFFFAOYSA-N 423.487 1.425 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)CC#Cc2ccccc2)C1 1133629750 CJAXUMZFKTWUIS-SFHVURJKSA-N 420.531 1.969 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)CC(=O)OC)c1 1137270005 JGDYCMUATYNJGZ-UHFFFAOYSA-N 408.398 1.719 30 10 HDEE C[C@H](CC(=O)NCCOc1cncc(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 1140552069 BZZYNRFHQOYPPK-GFCCVEGCSA-N 422.894 1.747 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1 1141948822 CPNANNFSKSFSMQ-IEBWSBKVSA-N 406.360 1.534 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)cc1C 1154867759 WDVKUBSLIVLAND-QGZVFWFLSA-N 407.474 1.404 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2Br)C1 1158398853 ZVPDFMQNHVERSU-AWEZNQCLSA-N 411.321 1.507 30 10 HDEE COc1ccc(-c2ncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)s2)cc1 1159491098 UZORIGLLUMFNGI-UHFFFAOYSA-N 409.427 1.650 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1162475246 QEGGRCRJQKKKFL-HZMBPMFUSA-N 403.298 1.678 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179656957 YJDDEVRYMIWRNZ-XTDOFWJNSA-N 413.540 1.713 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1185754441 VGJCYEKTIMMXOR-HUUCEWRRSA-N 422.569 1.391 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1235202474 HHEMKXJVIAGPDE-GFCCVEGCSA-N 417.251 1.114 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 1275548903 CEWDCIZATXWEDY-GOSISDBHSA-N 406.442 1.971 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCn1cc(CO)nn1 1286294393 AGRWFZOBZJMZHQ-MRXNPFEDSA-N 409.494 1.510 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286383470 DGHWHRHMJXMPEQ-IAGOWNOFSA-N 407.584 1.543 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc2c(c1)CCO2)[C@@H]1CCS(=O)(=O)C1 1286393347 KHZRUPUXWKHMSI-GOSISDBHSA-N 414.531 1.645 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nc(C)cs1 1286410125 SETGWONCMLTYBX-HOCLYGCPSA-N 417.560 1.822 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1286424015 QRKVYQYEROMSDT-GOSISDBHSA-N 407.499 1.714 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C)C1 1286823666 PEMDPVZYCGRCQZ-OAHLLOKOSA-N 406.556 1.977 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1 1286875772 KBUZBERNZFQZKX-QGZVFWFLSA-N 416.432 1.909 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1287090074 WFVXPTKYISDJSK-IGKNDFSCSA-N 419.526 1.465 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(N)=O)c1 1290817040 VRXWEBINEPUPME-UHFFFAOYSA-N 403.446 1.463 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1291877422 PPJZIAFFIJDCPW-MDZDMXLPSA-N 415.490 1.929 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1300308307 AEDUHQVXVGFLDQ-KUHUBIRLSA-N 418.457 1.791 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1300491527 IBDNNMGYVYPJJY-INIZCTEOSA-N 422.942 1.722 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(C)(=O)=O 1300887392 BWTFAYABEFABTL-MJGOQNOKSA-N 419.551 1.726 30 10 HDEE CC[C@@H]1[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 1300995607 ZPDGNIFJKCWXAS-LKXWOGMASA-N 406.483 1.807 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1301040089 BZDBFYSWLVKACI-AWEZNQCLSA-N 423.930 1.049 30 10 HDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1301241246 PUHDHLLGUXUZEW-UHFFFAOYSA-N 421.479 1.681 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccc2OC)n1CC(=O)N1CCOCC1 1301394118 JVHAUHUGQFZCEV-UHFFFAOYSA-N 411.506 1.915 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCOC1 1301509192 BYZPSOWGNLRNSS-KRWDZBQOSA-N 401.515 1.305 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302367817 AXISWLKBWKBXAL-KIJUOZEOSA-N 409.450 1.092 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1303633008 AYSLZPRKCLVBEE-CQSZACIVSA-N 410.457 1.986 30 10 HDEE Cc1nnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)s1 1304779821 CDPZFTSNYSINGK-WCQYABFASA-N 409.541 1.321 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccccc2C#N)CC1 1313387843 GZGNEDGSKXILEH-INIZCTEOSA-N 408.462 1.908 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(C#N)cn1CCOC 1355035640 FVCOPWNKCLGLKK-XMQYKBBCSA-N 423.491 1.477 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(OCCOC)CCOCC1 1358884868 YKVFZHPCYQYKIF-INIZCTEOSA-N 402.499 1.349 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1358927772 JGNSNACIFHRJAN-MOPGFXCFSA-N 409.490 1.927 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1358931674 JBTKBHIVWPYJLJ-QGZVFWFLSA-N 407.478 1.150 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCC2)CC1 1359036495 XWBLCBPTJIMPQU-QZTJIDSGSA-N 403.552 1.292 30 10 HDEE CC(C)N1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CC1 1359476562 GYMKFNVOOFNVNG-KRWDZBQOSA-N 417.558 1.232 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCCS(=O)(=O)N3CCCC3)CCOCC2)cc1 1438377034 SWDBMESRILCXHB-UHFFFAOYSA-N 405.520 1.886 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1450208578 AYENBUVMQURACH-SFHVURJKSA-N 415.471 1.673 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(CC(=O)NCc2cccc(C#N)c2)CCCO1 1460213115 GNGQWLJJEAHAHZ-SFHVURJKSA-N 402.495 1.790 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1460865365 ZESFQZUNJVWJDC-QFBILLFUSA-N 400.479 1.621 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1ccc(Br)cc1-n1cnnn1 1464504859 HLBYEAOTIHRUQU-UHFFFAOYSA-N 413.239 1.533 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1465334156 YFAMMCMIVQIFJU-VSGPLIKPSA-N 417.535 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@@H](C#N)C2CCCCC2)C1 1465505281 RIAFISYDJCDEIH-CVEARBPZSA-N 413.540 1.999 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(C)(=O)=O)ccc1OCCOC)C1CCOCC1 1466482365 BFPCNEDMNJKKMI-INIZCTEOSA-N 410.492 1.665 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1468880585 BJPPJPHJIQYSSS-INIZCTEOSA-N 400.456 1.345 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CC3(n4cnnn4)CCOCC3)CC2)c1 1469673734 CJDMEFOVJHOSIX-UHFFFAOYSA-N 409.494 1.221 30 10 HDEE C#C[C@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(F)cc1 1470658022 TVUXOIBIENZHRA-ROUUACIJSA-N 410.515 1.754 30 10 HDEE C[C@@H]1Cn2nc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cc2CN1C(=O)OC(C)(C)C 1472518663 XOKYDTPWGRFFTL-CVEARBPZSA-N 416.526 1.988 30 10 HDEE O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618075 LOHHCDJBTBGIDX-OAHLLOKOSA-N 407.426 1.944 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@](C)(=O)c2ccccc2)n1 1475261963 RHZCLLQAXHZZDQ-AREMUKBSSA-N 410.521 1.366 30 10 HDEE N#Cc1cccc(NC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)n1 1476792258 HYHPXDXRHKNTNJ-MRXNPFEDSA-N 411.437 1.932 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1502256162 VJSPHMHOKJRAJH-TUPYQCFKSA-N 413.526 1.601 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC(C)CC2)CCOC1 1502727431 AAOPMNMKXFDAFR-RXVVDRJESA-N 418.542 1.391 30 10 HDEE COCCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1504818401 ZOTAZRURAPAPPG-SFHVURJKSA-N 416.501 1.705 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507554559 TVGIFCPLQIPIOR-IBGZPJMESA-N 416.570 1.768 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507631358 CVTZVJSLWPZBJR-MSOLQXFVSA-N 420.535 1.493 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1507633651 UHLHIFSVADCDSI-CABCVRRESA-N 407.540 1.292 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CC)CCC2)CC1 1507738033 IFQBELHYTWQVCG-QGZVFWFLSA-N 412.538 1.775 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507757266 WQOHACXYLDSEQK-MSOLQXFVSA-N 410.547 1.878 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](COC)C1 1508083737 BLENOBCBXHQFFG-MRXNPFEDSA-N 409.494 1.292 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1508092779 RDISHQIRFASHNU-KRWDZBQOSA-N 410.478 1.504 30 10 HDEE CC(=O)N1CCN(CCn2c(C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1 1508275717 KGCMPAONEVCZOB-RTWAWAEBSA-N 407.522 1.494 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1508393565 UTIDWRQIWKHOTD-FQEVSTJZSA-N 424.440 1.562 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1510127661 AMKRRXJKZOKVLE-LBPRGKRZSA-N 401.452 1.117 30 10 HDEE CCOC(=O)c1c(NC(=O)c2cccc3c2NC(=O)CO3)c(C#N)cn1CCOC 1515223210 XZUDXGUFLIPTNU-UHFFFAOYSA-N 412.402 1.766 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1519306872 QHAKIMXGQVZWME-OAHLLOKOSA-N 416.482 1.574 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 1523978895 BFPSCKQQWPWYMS-GFCCVEGCSA-N 414.853 1.763 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1525838340 PQNFTTGNQFOWCP-KFWWJZLASA-N 421.519 1.199 30 10 HDEE CS(=O)(=O)c1ccc(/C=C\C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)o1 1529708424 SZSNKKUIGNRGFZ-UTCJRWHESA-N 400.460 1.748 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(CNC(=O)C(F)(F)F)o1 1535349914 RTSLDWXFCNJVRO-LLVKDONJSA-N 422.367 1.471 30 10 HDEE CO[C@@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCSC1 1535585925 MNBVVYGACCFLKY-DNVCBOLYSA-N 402.476 1.402 30 10 HDEE C#CCN(C(=O)[C@H](C)OCC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536626128 PIHKXJPXKCLMSC-ADWMHYPASA-N 400.519 1.678 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCN1CCCO 1539245279 CRNPXVOBIQJGRC-FQEVSTJZSA-N 422.489 1.773 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](CC(C)C)NC(=O)OCC 1539258594 YMWRUVVLFBPYEM-KRWDZBQOSA-N 409.494 1.969 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(N(C)C)cc1 1539412987 GGLWOTZCEXOTFF-LJQANCHMSA-N 410.522 1.624 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1540033862 RRYBJFCQSYPARU-UHFFFAOYSA-N 414.510 1.536 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540899797 AGTSKWSAKMETSB-QGZVFWFLSA-N 418.519 1.935 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1541816102 WDETUVLHUVSPBU-QGZVFWFLSA-N 423.521 1.691 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1545097299 ZLTUTARVKIEMAA-CEXWTWQISA-N 418.542 1.402 30 10 HDEE CCN(CC)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1547406748 HPCVSZNHGLVGKR-FQEVSTJZSA-N 419.505 1.605 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)coc2C)CCOC1 1547919392 NNPDVXQFZWVTMH-UZLBHIALSA-N 401.467 1.917 30 10 HDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)n1 1554341509 FPVCHBUTIHNBTB-KRWDZBQOSA-N 418.505 1.885 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1555781219 FHXWEAHOEQCMAK-FQEVSTJZSA-N 410.522 1.889 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555992241 LJFOYRSSTIHPCR-CWFNNOHCSA-N 411.466 1.396 30 10 HDEE COc1c(Br)ccc(C)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1557600973 OHGKFKMICJMKRT-UHFFFAOYSA-N 407.224 1.330 30 10 HDEE CN(CCO)CCN(C)C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1557694751 MTKSHUDOXFZAQF-UHFFFAOYSA-N 401.467 1.405 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)C2)nc1 1558464822 OTFFPWGTGLUECG-GOSISDBHSA-N 418.457 1.722 30 10 HDEE C=CCOc1c(Cl)cc(CN2CCN(S(=O)(=O)N(C)C)CC2)cc1OC 1560921760 XJQPBXINEYYEPY-UHFFFAOYSA-N 403.932 1.837 30 10 HDEE Cn1nc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(F)(F)F 1564530474 CXHFYKSRAYXKAH-PWSUYJOCSA-N 416.404 1.997 30 10 HDEE C#C[C@H](NC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@H]1CCCO1 1564603008 JVTPSLMFRNIMOJ-RXXRIIIHSA-N 400.460 1.598 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 1564848010 YCLVQJLYXPQNIQ-UHFFFAOYSA-N 406.914 1.528 30 10 HDEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)N(C)C 1567429041 RKVBFSOJAHTKOP-GUYCJALGSA-N 400.479 1.985 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)c1ccccc1Br 1570316779 AZELDAZBZGJEGI-UVTIVQHFSA-N 408.252 1.515 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 1584792332 HROKLVDQLNYFGI-UHFFFAOYSA-N 413.503 1.158 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1587626794 OVOYRFFKHKXNIU-KKUMJFAQSA-N 404.515 1.943 30 10 HDEE C[C@H](CC(=O)Nc1nnc([C@@H]2CCCO2)s1)/N=C1/NS(=O)(=O)c2ccccc21 1587743829 CFKOZBJEKQLPPB-PWSUYJOCSA-N 421.504 1.845 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1587856871 TUMUZFUAWKNBGQ-QGZVFWFLSA-N 415.519 1.329 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN1CCCC1 1587921902 MDIYDROERZJUCA-UHFFFAOYSA-N 415.567 1.712 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN1S(C)(=O)=O 1587975091 MYOFSHMLNHBFAW-OAHLLOKOSA-N 412.519 1.920 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587998577 CWTOWSDBOJJSFO-QGZVFWFLSA-N 401.536 1.528 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCNC(=O)C(C)C 1588025190 VFIAPNSMFJIIOT-IYBDPMFKSA-N 418.542 1.890 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(OCC2CC2)c1)[C@H]1CCS(=O)(=O)C1 1588034395 FJTBDKVZYMFPMU-SFHVURJKSA-N 415.519 1.445 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1c(CC)nn(C)c1OC 1588619741 DFNXYUJXSVOIHP-UHFFFAOYSA-N 411.510 1.722 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(C)COCCO2)CC1 1588857195 KIRKZRUQGSDZRM-HXUWFJFHSA-N 401.536 1.491 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1589060494 SHSQKVAVZFPAGD-MRXNPFEDSA-N 416.595 1.701 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589069142 IWHDSXCOLBSDGJ-HUUCEWRRSA-N 400.570 1.408 30 10 HDEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H](C)NS(C)(=O)=O 1593684098 SLTIVQWBAMIJBB-JQWIXIFHSA-N 401.443 1.985 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595461560 ZIYZEHCNCJDZIZ-ROUUACIJSA-N 413.526 1.922 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)C1 1595665259 QYAHGAWWJZUJHN-LZJOCLMNSA-N 419.526 1.536 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1595766566 TWXAFYXJQVGLHM-UHFFFAOYSA-N 413.544 1.681 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1598219443 BLCOXPKBAFFNEA-QFBILLFUSA-N 409.556 1.717 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(c3n[nH]c4c3COCC4)C2)cc1 1607639967 NQTRVMPHYFGKRK-UHFFFAOYSA-N 402.476 1.186 30 10 HDEE CCCN(CCC)C(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1611164430 FRABRVDJPWSISD-RXVVDRJESA-N 417.531 1.959 30 10 HDEE Cc1ccc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1611460839 HMXYQHXHGALAMW-OAHLLOKOSA-N 400.479 1.951 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1617895190 LBQRDIMOZLURIO-LJQANCHMSA-N 406.508 1.292 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1618453519 RRIKAGWVACRHGI-CABCVRRESA-N 415.918 1.872 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1618502763 WDGKMCCAARYZLI-IAGOWNOFSA-N 421.505 1.304 30 10 HDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1619836210 DOLFEYCYUZIWCT-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1Cc1ccc(C#N)o1 1620023401 RGJUHJMFJKNZRB-CABCVRRESA-N 414.466 1.326 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1620075898 RTEMVHHDWVSITN-LJQANCHMSA-N 412.494 1.001 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1620129633 FOILPBCUKIDYOZ-CQSZACIVSA-N 408.384 1.720 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1620351274 ZEJNLGHLDVRNMR-CVEARBPZSA-N 416.432 1.943 30 10 HDEE COCC#CC(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1628140771 RYYRCDQEJMNNEA-UHFFFAOYSA-N 400.504 1.570 30 10 HDEE COC(=O)[C@H](CCF)NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1628379367 LEPNVBVKSRRWKL-UONOGXRCSA-N 413.471 1.157 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C(F)(F)c1ncccc1Br 1628385805 FCGULMQUSKRXPD-QBFSEMIESA-N 415.194 1.579 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1629236021 QCGJDUFBWGWHOA-ZWKOTPCHSA-N 408.543 1.611 30 10 HDEE C#CCN(CC(=O)N1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C 1629841681 UOEPWBSGGKCNTC-AWEZNQCLSA-N 403.439 1.873 30 10 HDEE CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1632294366 MRIKLOFHEYLBED-BEFAXECRSA-N 424.505 1.283 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)C1 1634554533 CJZKLCGQHKDCBA-GOSISDBHSA-N 402.454 1.705 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](N3CCOCC3)C2)ccc1F 1635845011 LSTZCGYNBXDEPV-INIZCTEOSA-N 411.499 1.227 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](O)(C(F)F)C1 1637042448 QUTUMJHWUBMZHI-UGSOOPFHSA-N 415.462 1.368 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)CCCOC)c1ccc(Br)cc1 1637662210 BBPXESCZGJRGHN-CQSZACIVSA-N 403.298 1.196 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1cncc(C#N)c1 1638835494 OAEBYEBTYUAPKK-QGZVFWFLSA-N 403.483 1.625 30 10 HDEE C=CCN(C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)COC 1641334435 ITCYFTSTWXAENO-LENZSSGSSA-N 401.507 1.950 30 10 HDEE C#CC[C@H](NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1642415650 WCEGYKUYLJTLNY-LLGFUMIMSA-N 402.447 1.484 30 10 HDEE N#Cc1ccc(C2(NC(=O)CSCC(=O)N3CCOCC3)CCOCC2)cc1 1643524309 YNYGMWIJYBCMPU-UHFFFAOYSA-N 403.504 1.272 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CP(=O)(OCC)OCC)c1 1643677437 HODQCLUQHUJQDH-UHFFFAOYSA-N 402.409 1.894 30 10 HDEE CC(C)CN(CC1CCN(C)CC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1644184522 PAPHBUKJDZCTJB-UHFFFAOYSA-N 406.552 1.663 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)c3ncc(C#N)cc3Cl)C2)nn1 1644425273 RUQVWAVXMBEDDU-UHFFFAOYSA-N 417.857 1.920 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3Cc4cnccc4NC3=O)ccc2c1=O 1644732078 JKDXOOYZJOYEKF-MRXNPFEDSA-N 407.455 1.559 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCO[C@](C)(C#N)C1)N2C(=O)OC(C)(C)C 1645722035 NZMSFXDMYUWNGC-AUQLDDPISA-N 407.467 1.315 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)s1 1647877727 HUAXQAMDPJBICR-QMMMGPOBSA-N 423.442 1.769 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CC(=O)NC1(C#N)CCC1)C2 1648315413 FOEPSCWIZJIBOM-LRAJWGHMSA-N 420.510 1.327 30 10 HDEE CC(C)(C)n1cc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)c(O)nc1=O 1651573828 DTONAVLUXBHMER-CQSZACIVSA-N 413.453 1.857 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](C(=O)N(CCC)CC(F)(F)F)C2)CC1 1652617549 QOUCPJOLYRUZDG-QGZVFWFLSA-N 416.488 1.277 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3NC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 1654089071 HALJGVSWDQREBU-ZWKOTPCHSA-N 417.425 1.768 30 10 HDEE CN(CCC#N)C(=O)CCN1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1654550175 RGRPLFSBQUTWJN-IRXDYDNUSA-N 403.527 1.929 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)CC1 1656298615 MILLABUQDMHMPV-IBGZPJMESA-N 402.926 1.312 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(Cc1ccc(C#N)cc1Br)C2 1660567340 GPLMBJVFTBULGR-HNNXBMFYSA-N 403.284 1.693 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2)[C@@H]1CCS(=O)(=O)C1 1673188524 HBJZAPZDZDLXSS-OAHLLOKOSA-N 419.503 1.722 30 10 HDEE N#Cc1ccc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1 1673351273 LHODFTIATFLGGB-IUODEOHRSA-N 402.398 1.604 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@H]1CS(N)(=O)=O 1674054967 CWAHKMNUFQOILM-QAPCUYQASA-N 419.551 1.089 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CCN(c2ncccc2C#N)CC1 1676378835 VTKWCRZOPOPFFQ-UHFFFAOYSA-N 404.471 1.631 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCN(C)CC1 1678592057 LOWFVZKPQFVQPL-HXUWFJFHSA-N 414.506 1.548 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778688 KFJREUFQEQADHK-NMLBUPMWSA-N 414.506 1.524 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCO1 1681955160 UYHJHIJKRFOIPG-OAHLLOKOSA-N 404.851 1.081 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689893515 ZIHGHMAOIRQCSL-LJQANCHMSA-N 415.538 1.661 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1689980624 VKJSYPXVJONNLV-MSOLQXFVSA-N 407.584 1.903 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1690077707 VCIBJEKRHNUWPV-FOIQADDNSA-N 420.510 1.687 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC(=O)N(C)C)CC1 1690114942 MJKPDWPGGAQXFN-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C/C=C/CC)CC1 1690117375 FKLULMIWCRLCMA-AATRIKPKSA-N 403.494 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCOC[C@H]2CCOC2)CC1 1690137372 WLWXGWUBFSYXJE-GOSISDBHSA-N 417.554 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N(C)C)CC1 1690139929 FPMQGQYRKSLTHF-KRWDZBQOSA-N 424.549 1.870 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@H]1C 1690220329 WNFQVBLPWSIAIK-CHWSQXEVSA-N 416.320 1.578 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN2CCN(C(C)=O)CC2)C1 1690699547 GLTQVYJGGBUYMS-HXUWFJFHSA-N 416.570 1.881 30 10 HDEE CC(C)[C@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1691940796 VLLFTXOGKREJGN-OSCRUYLVSA-N 422.493 1.886 30 10 HDEE CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692393472 MFIXCDKBFNENTG-LJQANCHMSA-N 412.542 1.918 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1692850750 AJTYUWXEBHCEBL-DYVFJYSZSA-N 417.482 1.592 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)c1 1697498108 ABWZLAFOZRFFKQ-DOTOQJQBSA-N 412.494 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1705486649 JBGXMGGQPHDNMV-NSHDSACASA-N 409.368 1.810 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705565413 IEEBEECAWDDYRZ-MSOLQXFVSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1ccnn1 1705575766 WMEMZLPUJUTBJO-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccn(C)n1 1705626595 CBZWSGOJEWVEBM-UHFFFAOYSA-N 418.461 1.462 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1705632368 NSMFWALOKCNTBA-LJQANCHMSA-N 424.549 1.947 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705693784 KILYWBSFZCOQBU-NJEOMLKJSA-N 417.554 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1705693804 KPKWVDADMBYPNX-ZACQAIPSSA-N 417.510 1.495 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1705861300 AYNFIXQCJDEKEU-SFHVURJKSA-N 419.551 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1705900497 FZYZPLJMLBEWRE-UHFFFAOYSA-N 422.449 1.624 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)C1 1705914907 GGXCWCXYGPLIKP-GOEBONIOSA-N 409.556 1.860 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)C1 1706935823 ZHTVSXREIVUXRH-GOSISDBHSA-N 403.512 1.409 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1709784251 AZPIACMHQPTCOE-IXDOHACOSA-N 401.515 1.222 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1O 1712832841 APSILJMSSUBMCY-PBHICJAKSA-N 415.519 1.601 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCOC2)cc1 1712879634 HZUUQFRJNKCVMR-QGZVFWFLSA-N 424.505 1.714 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnn2)CCO1 1712884718 QWNJQPJWSFBAST-CQSZACIVSA-N 414.420 1.558 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1722288531 BGYKAIXRKLYQCN-OXJNMPFZSA-N 400.552 1.939 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722313692 XKJXVTVRMFOFJF-INIZCTEOSA-N 419.493 1.676 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722359064 IEYOQIBZYOSRBF-MRXNPFEDSA-N 418.519 1.351 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1nc(C2CC2)cs1)[C@@H]1CCS(=O)(=O)C1 1722365090 CPGRELYVTNXUMA-CQSZACIVSA-N 405.549 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1722413732 QRTHRFKWTZJTAB-XSLAGTTESA-N 421.567 1.507 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1722413918 SOCGHQJKYBZIDR-MRXNPFEDSA-N 416.507 1.041 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1722426410 HUIVBPAKNQCPQP-MRXNPFEDSA-N 411.572 1.377 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCC2(O)CCOCC2)CC1 1722435067 FLNZCRPHMMFEPH-UHFFFAOYSA-N 413.497 1.771 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2OCC[C@H]2C)CC1 1722440201 ATQOZXBEXQZWFW-HCXYKTFWSA-N 403.527 1.182 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1729108450 GSDFPBGNVBPCSW-GCJKJVERSA-N 410.522 1.746 30 10 HDEE CCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729158444 BAGIZPKXWKLICD-JKSUJKDBSA-N 412.498 1.195 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCC#N)CC1CC1 1729308101 AJNDMEIIRJXRAQ-UHFFFAOYSA-N 420.481 1.139 30 10 HDEE COc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1730129818 BCCAMTBXWSWSIX-GOSISDBHSA-N 423.477 1.667 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740622179 VWILGMULOWBSLA-HOTGVXAUSA-N 401.536 1.956 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740627874 TUBAOZWKFUIPAV-ZACQAIPSSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN(CC)C1CC1 1740645486 GOASFNOIDKBCLA-UHFFFAOYSA-N 405.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCC(=O)Nc1ccccc1 1740657929 CMHGJUQCRMASAV-UHFFFAOYSA-N 418.501 1.892 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1740661115 RBDVUWUPADKPFI-UHFFFAOYSA-N 413.469 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@H]2COCCO2)CC1 1740701750 CKBLJLQHDOHGOE-KRWDZBQOSA-N 403.527 1.347 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740787621 JZPSUFWVHUYAHX-OWCLPIDISA-N 415.560 1.342 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1740887856 DVGBFNGAQABFGK-UTKZUKDTSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1740957055 AASYTQRCDNAHML-NRFANRHFSA-N 410.453 1.812 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1740959383 TVERISSTZDURRA-UHFFFAOYSA-N 411.466 1.693 30 10 HDEE CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1744301071 GACCAUPIWDUKGE-JKSUJKDBSA-N 407.540 1.879 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1745781027 IAQXDCRQCKBDOZ-OAHLLOKOSA-N 411.510 1.551 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1748665495 ROWYAFQCAWBCBP-LSDHHAIUSA-N 403.556 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1748666468 BCYUCXNVZHLOHX-PBHICJAKSA-N 415.519 1.333 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1748732086 SFASIDSNYJAEAQ-JHJVBQTASA-N 407.462 1.936 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1748752325 VFLIZAYJTOHITA-SFHVURJKSA-N 409.490 1.863 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@H]1CCOC1 1748824634 FTVFXJBOCAADNB-KRWDZBQOSA-N 408.462 1.194 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1snnc1C 1748970810 SZWITMBYPDHNKC-HOCLYGCPSA-N 406.512 1.296 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749114966 JPNCTQIDNORPEW-FRRDWIJNSA-N 412.288 1.973 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1749131037 PRSHJCUYLKXWSO-UFYCRDLUSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1749494327 LULNGUYDOZAXRB-QGZVFWFLSA-N 419.551 1.924 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1749873213 CKSVCKNYQULTNP-UHFFFAOYSA-N 424.534 1.793 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760138423 YIFZAHQIYJQCJA-IXDOHACOSA-N 409.556 1.507 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1760173734 BCQHQRIGXLGNDW-KRWDZBQOSA-N 418.519 1.323 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1760210845 XTOPCIXWVVUHBN-UZLBHIALSA-N 421.567 1.292 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1760294958 KCTWOTIGWWTJOS-TWOQFEAHSA-N 406.552 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C(N)=O)C1 1760322553 UKMAEVJEEBIUBX-BDXSIMOUSA-N 403.527 1.855 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760348907 QOMITEOHQNAMKZ-PMPSAXMXSA-N 400.545 1.838 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760553466 CZZJSJPQHFQKBC-LSDHHAIUSA-N 409.556 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCOC 1760554630 ISSMWYKHUVPITH-KRWDZBQOSA-N 422.507 1.474 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1761362009 UQTSJNCXPJBSSX-CVTQAYBASA-N 420.477 1.529 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)cs1 1762296819 ORKNFADLTWRLLC-HYVNUMGLSA-N 402.524 1.914 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 1764932512 WGIHYFBIBCLHED-HXUWFJFHSA-N 410.522 1.840 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCn1ccnc1C 1767932058 HVHPEMSMTOUUGI-UHFFFAOYSA-N 421.509 1.613 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1768145321 VQZHKGUNWXDJKS-SQGPQFPESA-N 407.515 1.718 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1769878740 ALVZXWLWCSOPJL-RDJZCZTQSA-N 411.510 1.739 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1771535288 HTOYLZMFMMWZQZ-GOSISDBHSA-N 414.535 1.971 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccncc2)nnc1N1CC=CCC1 1771564905 YSXSSBRMIULIOX-VXPUYCOJSA-N 405.462 1.557 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(c2cc(-n3ccc(C)n3)ncn2)CC1 1852897981 IXZOWJGXODVWDK-UHFFFAOYSA-N 402.458 1.945 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN2CCC(C#N)CC2)CCC1=O)n1nc(C2CC2)ccc1=O 1853686985 DHRVJDYGUTVHSU-RDJZCZTQSA-N 411.506 1.682 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2noc3c2CCCC3)C1=O 1854101723 XVJXPZABZKOBBM-SJORKVTESA-N 414.506 1.793 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccccc2OC)C1=O 1854131811 SCEWRPQZBIQVIZ-RTBURBONSA-N 413.518 1.864 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@H]1C 1854331592 KETHJPKPBKTGOG-IEBWSBKVSA-N 419.547 1.784 30 10 HDEE Cc1ncsc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854353779 WAEKXOWUPSICAT-SFHVURJKSA-N 409.515 1.882 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)COc3ccc4c(c3)OCO4)C1=O)CC2 1855022441 AMDGULAHNOHBBY-WBVHZDCISA-N 411.458 1.937 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855224554 IPMHREYJEPBMIP-HOTGVXAUSA-N 404.536 1.689 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnc([C@@H]4CCOC4)o3)[C@@H](C)C2=O)cc1C#N 1856252412 MOUBGRGNJFIJEP-GOEBONIOSA-N 409.446 1.627 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856327695 ZZKJLRRAUWQZOW-OAHLLOKOSA-N 412.519 1.221 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1C 1856392355 LFXDVLQCPCLNRJ-UHFFFAOYSA-N 405.476 1.590 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)C1 1856409948 XPMRFOVWATYZBH-OAHLLOKOSA-N 416.453 1.026 30 10 HDEE COc1c2ccc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)cc2nn1C 1856549449 YVOASTKZTWZJDJ-CRAIPNDOSA-N 407.474 1.949 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN([C@H]4CCCCC4=O)C3)CC2=O)cc1 1856560500 WWHKVBLRKTZDJS-UXHICEINSA-N 408.502 1.358 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cc(Cl)ccn3)C2)CC1 1857055820 INJLEXLENSPGCB-ZDUSSCGKSA-N 410.883 1.289 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(C(=O)OCC)CC2)n1 1858762550 CVVQSNYMZICPMG-UHFFFAOYSA-N 418.450 1.444 30 10 HDEE CCOc1ccc(/C=C/C(=O)C(=O)NCCN2C(=O)CSC2=O)cc1OCC 1860735435 SEXJQBNMNCZZPF-FNORWQNLSA-N 406.460 1.878 30 10 HDEE CSc1ccc(Cl)cc1CC(=O)N1CS[C@H](NCCCNC=O)[C@H]1C=O 1860887066 NAISDAAIBDRECT-PBHICJAKSA-N 415.968 1.757 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CSc1nccn1C 1870310167 XSIOERJSGRRPDX-UHFFFAOYSA-N 404.492 1.298 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(N(C)C)cc1 1870962076 PHHXMJDGWFYROZ-UHFFFAOYSA-N 414.506 1.854 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619356 JPJHVMMOJDWJFL-UHFFFAOYSA-N 413.482 1.736 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc[nH]1 1874434575 MFINCUKBNJFGDL-SRZZPIQSSA-N 405.528 1.865 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC[C@H]1CC2=NO 1876041145 IXTWJGDKPNJBTP-KGLIPLIRSA-N 419.503 1.953 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1880980463 RVTWFQVWOCYAAN-FKIZINRSSA-N 402.403 1.624 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)n1 1889393670 MNHABUAGPDAYIA-UHFFFAOYSA-N 406.490 1.764 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)CC1 1890090345 NJQOQTYGUDWRNA-MRXNPFEDSA-N 410.503 1.674 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cn(C[C@@H]3CCOC3)nn2)c1 1890238975 HHEMNOZYUADBHY-SFHVURJKSA-N 411.506 1.973 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)OC(C)(C)C)C1 1900397676 RCLVAABZUJOOPX-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1CC2(CCC(=NO)CC2)C1 1923296720 LDFUSEPUUSALGO-UHFFFAOYSA-N 405.476 1.709 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2010402099 MIGNBCMVPZBFKO-FICVDOATSA-N 422.331 1.766 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CC#N)C1 2046024208 YPKDKDWGNLFDGI-IFXJQAMLSA-N 407.467 1.966 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(C#CCO)cc1 2089699702 ZSKLIFHZAQYRED-UHFFFAOYSA-N 412.467 1.849 30 10 HDEE Cc1csc(C(=O)O)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2162597060 AJOWSWLNQZOOKX-LLVKDONJSA-N 415.493 1.888 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(C#N)s2)(C(N)=O)CC1 2174785802 CNVAJKSVYBFIKK-UHFFFAOYSA-N 414.509 1.153 30 10 HDEE CN([C@@H](CNC(=O)OC(C)(C)C)C1CC1)S(=O)(=O)CC1(C#N)CCOCC1 2174786022 FPNRSYXIPXCHSR-HNNXBMFYSA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F)[C@H]1CCS(=O)(=O)C1 2180092794 NZEWZRTYVXHSGC-STQMWFEESA-N 406.451 1.138 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)N[C@@H](CCS)C(=O)O)no1 2180221662 RZGSDHKSHRKINU-VHSXEESVSA-N 400.457 1.645 30 10 HDEE CCS(=O)(=O)CNC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2233879199 MKUAVTGKUUUHSI-UHFFFAOYSA-N 402.347 1.581 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNC(=O)OC(C)(C)C 2243387256 QLFZNYKEGRIBEK-UHFFFAOYSA-N 408.308 1.282 30 10 HDEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247858000 KIDJOWYTQDVGRE-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC4(C3)OCCO4)c2)OC1(C)C 2247950403 AXPJWERARQBFAY-UHFFFAOYSA-N 401.315 1.185 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2248968739 RGVCWSSZYQLZLM-UHFFFAOYSA-N 413.205 1.192 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1nccn1Cc1ccccc1 2255873126 IBWKWKZJEYYKTI-UHFFFAOYSA-N 422.298 1.289 30 10 HDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258177847 QKOYFHSUYPSKAQ-ZDUSSCGKSA-N 422.381 1.193 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267132854 VIEZKALCFSADCL-QMMMGPOBSA-N 408.738 1.108 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)N(C)C 2267355621 HJBQDASTTCYGKT-DEOSSOPVSA-N 408.376 1.619 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@](C)(O)C3)cc2Cl)OC1(C)C 2267707290 OCONJFNUXOFORQ-HNNXBMFYSA-N 407.750 1.846 30 10 HDEE C[C@H]1CNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709888 JSHJNAQNYFAUJW-ONGXEEELSA-N 406.766 1.587 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1nncs1 2267715589 ZOGCXUVAOJIBDA-SECBINFHSA-N 401.344 1.938 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 2267717419 CWSSTZYXTWODKT-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCCCO)c(Cl)c2)OC1(C)C 2267722956 ZXWZROPODLMKSL-UHFFFAOYSA-N 410.128 1.953 30 10 HDEE C=CC[C@@]1(CN)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272085270 QIEPRUIFTATLPR-UXHICEINSA-N 423.510 1.568 30 10 HDEE Cc1sc(C(=O)NCCS(=O)(=O)C(F)F)cc1B1OC(C)(C)C(C)(C)O1 2281948950 CUVQTZGYDHYLSP-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE Cc1nn(C)c(C(=O)N2CCC[C@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2281980622 VNWLGYHSKXBZBB-AWEZNQCLSA-N 405.304 1.253 30 10 HDEE C=CCC1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2282312625 ZCKSHOPJSVDNHG-UHFFFAOYSA-N 418.777 1.897 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282321172 TVXROEPEDJXJGD-NEPJUHHUSA-N 404.338 1.416 30 10 HDEE CN([C@H]1CCC[C@@H](N)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333561 QDGIYJZUJSINBV-KGLIPLIRSA-N 400.375 1.938 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C 2282336880 HQTWFRIKCDEPOE-RWMBFGLXSA-N 400.375 1.807 30 10 HDEE CN1CC[C@](C)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343868 HYRGZESZBNRTGD-QGZVFWFLSA-N 400.375 1.667 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(F)(F)F 2282351787 GISOBAXVLRRLDU-KCJUWKMLSA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(C(=O)NCCCS(C)(=O)=O)c2)OC1(C)C 2282399914 BAABRBXIEWMAPL-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282420535 AQONESGWDRFHNX-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@@H]3CO)c(Cl)c2)OC1(C)C 2282496903 JDCXMZRJBJFNED-NWDGAFQWSA-N 401.721 1.546 30 10 HDEE COC(OC)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504977 XDNAFCDYOLDWQW-LLVKDONJSA-N 405.347 1.474 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282618280 PULPNLPANWTDPS-SANMLTNESA-N 421.777 1.826 30 10 HDEE COC[C@H]1C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282843686 QYYXSQQVMDRGOO-XBXGTLAGSA-N 401.359 1.892 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](C)N1C 2282848311 MCJQBKPGYKFXMS-STQMWFEESA-N 400.375 1.760 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H](C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284396267 CBYGYNMIRNZMQM-XYPYZODXSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@](C)(C(=O)O)C(F)F)s2)OC1(C)C 2284408649 AWKHSYOGHFMHPO-CQSZACIVSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284420042 WGZGSMHGEUBSMY-PSASIEDQSA-N 401.677 1.361 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccccc1[N+](=O)[O-] 2331260146 KCAWGIWJHRGVMZ-UHFFFAOYSA-N 406.468 1.876 30 10 HDEE CC[C@@]1(C)[C@@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2361993185 WELFCUXREUVNEX-YOEHRIQHSA-N 401.359 1.971 30 10 HDEE CN(Cc1c(Br)c(Br)nn1C)c1ncnc(N)c1C#N 2364338362 GDNGLZQXWWCHAF-UHFFFAOYSA-N 401.066 1.825 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367798589 RUICQNKEUPZTHP-MRXNPFEDSA-N 400.541 1.558 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372916898 MVALNXZDOVSOAC-KDOFPFPSSA-N 404.529 1.762 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCC(C(=O)N(CC#N)CC#N)CC3)CC2=O)cc1 8246731 WTXZPIMHMDUBLO-GOSISDBHSA-N 407.474 1.462 30 10 HDEE CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1=O 9388530 DOOORGQRZCOKEA-UHFFFAOYSA-N 418.475 1.701 30 10 HDEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 72144470 NUGJFBYLLLGUIC-QGZVFWFLSA-N 416.474 1.932 30 10 HDEE CN1CC(=O)N2[C@H](C[C@]34O[C@]3(Nc3ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 77313172 KHIZOIVUANRQQJ-BDRMCPCVSA-N 405.410 1.577 30 10 HDEE in-vitro O=S(=O)(/N=C1\C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccc(F)cc1 100918907 XBSIFSAFRVJCRF-WDWWVRLLSA-N 418.446 1.371 30 10 HDEE CN1C(=O)/C(=C/Nc2cccc(Cl)c2Cl)C(=O)c2c1n(C)c(=O)n(C)c2=O 108943242 YXTUDRHZDXVSBC-BQYQJAHWSA-N 409.229 1.546 30 10 HDEE C#CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 109377142 BMZRALKMPZEMCG-UHFFFAOYSA-N 404.463 1.817 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)O)C[C@H](OCC)C2(C)C)cc1 439713970 APWQYHVQNHJRID-KXBFYZLASA-N 410.492 1.539 30 10 HDEE COc1ccccc1N1CCN(C(=O)Cc2noc(-c3ccc(C#N)nc3)n2)CC1 445497176 AETZRAHAOANUMX-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CC[C@](O)(C(F)(F)F)C1 471189598 ACYUZFHQZSSSDH-QGZVFWFLSA-N 402.417 1.951 30 10 HDEE N#Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)ccn1 474896747 RKVPDPOAXDARAF-QGZVFWFLSA-N 400.460 1.341 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 486366871 NHMLPXAHBDZWBW-SJKOYZFVSA-N 418.437 1.918 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 487461862 BILFCZACFRTFHY-UYAOXDASSA-N 421.505 1.361 30 10 HDEE CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)F 498847424 XRXZKKHKIRISLA-HIFRSBDPSA-N 414.478 1.413 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)Cc1cc(C#N)ccc1F 501164646 PKDQFKCIDBHTST-CYBMUJFWSA-N 400.435 1.915 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 511402922 YRJUCHBCWRWOBX-IBGZPJMESA-N 421.567 1.446 30 10 HDEE CN1C(=O)C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 514814770 XDOQIBJCWJMAMI-VQIMIIECSA-N 418.906 1.942 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2)CC1 522940183 YPFPSLDCFKDLQE-UHFFFAOYSA-N 401.492 1.615 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544838860 DZTJMQYGOQYIFE-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 546219856 MCAFKXXLQNYMIX-LPHOPBHVSA-N 404.474 1.979 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc3c(c2)CCS3(=O)=O)cn1 546612837 QDWFWCOANCPDMF-UHFFFAOYSA-N 408.443 1.790 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC)CC1 549071748 NBYBMQBHSXUTJY-UHFFFAOYSA-N 407.522 1.794 30 10 HDEE N#C[C@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(Br)cc1 570750347 SJLHQWHXMPSVQI-NSHDSACASA-N 402.212 1.931 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 572382398 VCLNZWHLPJDABB-KGLIPLIRSA-N 401.558 1.129 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 604196562 QKQMSDKXCUZFNA-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C(C1CC1)C1CC1 609703749 HJKXVPIGQRNNEP-UHFFFAOYSA-N 423.538 1.537 30 10 HDEE Cc1nnc(O)c2c(NC(=O)CN3CCN(c4cccc(C#N)n4)CC3)oc(C)c12 612831053 DOTGMUJOESQXBI-UHFFFAOYSA-N 407.434 1.573 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(C4CCOCC4)C3)CC2)cc1 619730185 MHLWUPDZRMQILR-UHFFFAOYSA-N 417.531 1.844 30 10 HDEE Cc1noc(CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 726271682 YBWHPHYYGQOPAY-JCMHNJIXSA-N 406.468 1.555 30 10 HDEE COc1ccc(OC)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC2)c1 730144846 SBPHZPDNGHPWDW-QGZVFWFLSA-N 420.535 1.866 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O 734292771 VOZMEDPJLXWTTN-MRXNPFEDSA-N 401.419 1.864 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 735177866 GSXTULBJXISWGB-CPRQQSDPSA-N 420.491 1.230 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCCc1c[nH]c2ccccc12 741342169 FUKIVSWWWKDZNX-KHESLQRKSA-N 424.457 1.675 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c1 742346026 CWUNRNWZAKRNRW-TXPKVOOTSA-N 400.504 1.448 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C#N 756894492 NTHSIFBCCUAOED-DGCLKSJQSA-N 403.464 1.870 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCF)C1=O 767735191 RDJKSDWBSRQDOE-MRXNPFEDSA-N 424.498 1.774 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)ccc1[N+](=O)[O-] 770649825 GSHSKQIGAUMCQA-UHFFFAOYSA-N 418.434 1.902 30 10 HDEE Cn1cc(S(=O)(=O)NN=C(Cc2ccccc2)C2CCCCC2)c(=O)n(C)c1=O 771893157 XKOMAILPAONSTI-UHFFFAOYSA-N 418.519 1.541 30 10 HDEE COc1c(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(C)nn1C 778846995 FVTQBYIFWOTFBD-OAHLLOKOSA-N 406.464 1.517 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 780204627 HBDRSQDPSVBUEI-GOSISDBHSA-N 413.455 1.181 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 780830128 XLMFCFQWXBEVCG-JXLCAQNNSA-N 421.461 1.845 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC1 782403214 ZXPCGOGFRBADOH-QGZVFWFLSA-N 422.235 1.745 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 784321297 VLEBBXBCPVZBLH-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(C)cc3)C2=O)n1 789043270 ZZFXCUDHMNTMDV-HXUWFJFHSA-N 409.490 1.788 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N=c2cc[nH]n2Cc2cccc(C)c2)n1 789320872 KAZILDKTFYRFTG-UHFFFAOYSA-N 420.517 1.579 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)CC(F)(F)F)cc2)CCN1C1CC1 802555428 OFJPJFAMPAGFAV-HNNXBMFYSA-N 423.395 1.715 30 10 HDEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780814 GPVRFVGMGOFWFQ-DVEDPGPFSA-N 421.498 1.555 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)n1 812932360 SPCQZAVCVPKUBN-KRWDZBQOSA-N 413.453 1.619 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 916775246 MWMFOSCRRMCFPC-HZPDHXFCSA-N 403.460 1.070 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1 918342861 VJVJRSFBCKQBHN-ZDUSSCGKSA-N 403.435 1.229 30 10 HDEE N#Cc1csc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 1134256177 LUSJRVOXOCAZNQ-OAHLLOKOSA-N 404.517 1.873 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1138180899 FEXJPOORJNUSEW-RDJZCZTQSA-N 412.446 1.656 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)OCCc2ccccc21 1153380034 BLGMSPHUGLPGTL-VFNWGFHPSA-N 413.499 1.829 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3(c4nn[nH]n4)CCC3)C2)C1 1153874739 LNCRGNSPCFYLJD-YNAXMUEKSA-N 401.471 1.482 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc2c(s1)COCC2 1156402675 TTXFSAWNZBROPV-NSHDSACASA-N 406.489 1.071 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1OC 1175204678 QNUDNZFCUVSUTA-XTKXOIQPSA-N 400.475 1.763 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C1 1177758995 JLRGTDHDZFOOSM-CQSZACIVSA-N 403.426 1.904 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1 1197984159 XFRFDBGZQNIYIJ-UHFFFAOYSA-N 417.462 1.327 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)cn1 1212445325 KZJAKHRSUMLDFP-UHFFFAOYSA-N 412.265 1.544 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(OCCN3CCNC3=O)cc2C)CC1 1216872907 PSGWGWMUBLNWSW-UHFFFAOYSA-N 400.479 1.781 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 1221119586 DIFGEFPNFSRYJG-SFHVURJKSA-N 402.476 1.164 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1286272612 BJOOFGAXOWMNTM-IIBYNOLFSA-N 419.526 1.059 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC)c1 1286311529 NHGVWNNQBVNGAS-MRXNPFEDSA-N 415.519 1.646 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286338307 LFIIIDASZWDQTP-QZTJIDSGSA-N 423.521 1.496 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1286374672 OSZSNCWMBKGCKM-IERDGZPVSA-N 411.510 1.061 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1286399958 SAXRYMIWYUDVHE-QGZVFWFLSA-N 420.583 1.083 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1286452694 KDMWVBWIYZCMER-RBUKOAKNSA-N 400.479 1.865 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1286509386 POIGKOBFPSMDCQ-HZPDHXFCSA-N 424.592 1.552 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1286578365 HRWDDTGBHHKOSM-MSOLQXFVSA-N 404.559 1.988 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1286722040 OWPWWYAJLMXLLS-UHFFFAOYSA-N 401.496 1.302 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286782211 OGAPDFMOXSHYRM-MAUKXSAKSA-N 410.478 1.359 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C(C)(C)C)C1 1286813138 SJWKQQCHCDZHQF-INIZCTEOSA-N 418.542 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286819853 YAKXFFSGNVMUEP-QGZVFWFLSA-N 421.567 1.738 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)CCOC1 1288322344 PLIUAQNQDFQIHM-RXVVDRJESA-N 416.526 1.309 30 10 HDEE CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1294249985 QSPNISZKJBEALM-ZDUSSCGKSA-N 402.354 1.801 30 10 HDEE Cn1cnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)n1 1298863692 ADMCMAJVYASWOD-IBGZPJMESA-N 406.454 1.232 30 10 HDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCS(=O)(=O)NC 1300441553 RJISZSBKYLAFAT-CYBMUJFWSA-N 407.565 1.750 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1cn(C2COC2)nn1 1300527255 VNNZIIIYYHKSNP-UHFFFAOYSA-N 403.446 1.238 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCC[C@@H]1C 1300558807 CKHCQLFAQJXUKW-NYVOZVTQSA-N 400.523 1.944 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCCC1 1300664333 QTZGZYVBIQJNBT-QZTJIDSGSA-N 402.543 1.436 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2COCCO2)CC1 1300706365 KULBNUKJGMMFNQ-NRFANRHFSA-N 409.534 1.624 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ncnn1CC(F)F 1300760764 GTAZUWPEBIZGPY-CYBMUJFWSA-N 411.482 1.641 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300767870 GWCGFZKIKXUUIO-SJORKVTESA-N 413.551 1.221 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)COCCO1 1300786162 DNOVNUOSTFIINK-NJYVYQBISA-N 404.511 1.728 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cnn(CCC#N)c1-c1ccccc1 1300986045 JUQZKPZBHVCWGD-HSZRJFAPSA-N 423.517 1.809 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)CC1 1301064568 XOVIFVSNTLPOEX-OXQOHEQNSA-N 419.551 1.952 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301257693 CTCHPZBJQDQKQH-JKSUJKDBSA-N 404.471 1.644 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C[C@@H](C)O1 1301358483 CCDLUVNCHWKPJM-BEFAXECRSA-N 412.494 1.583 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C 1301485098 QUMHCTXRPUZYNB-CQSZACIVSA-N 403.508 1.640 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C(C)C)C1 1301520758 OCNSCWMTAKNQMX-BQFCYCMXSA-N 423.583 1.882 30 10 HDEE COCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1302237728 JZXRGAHRVBQGNA-ZWOKBUDYSA-N 407.515 1.795 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)cs1 1304665242 CNEFQBXCIMJKCU-HXUWFJFHSA-N 415.567 1.831 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCN1CCCCC1 1304855697 HMOCXDHIIDZDSC-QGZVFWFLSA-N 409.542 1.839 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2c(I)cnn2C)c1C#N 1306286724 VPASFLFWHJLBBR-UHFFFAOYSA-N 413.223 1.024 30 10 HDEE C=CCOc1c(Br)cc(CNCc2nnc3n2CCNC3=O)cc1OC 1308504284 QWWPXNBCQIRWJR-UHFFFAOYSA-N 422.283 1.647 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1309655713 AIAHSGJWXYABPM-UHFFFAOYSA-N 403.508 1.825 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCS(=O)(=O)C[C@H]2C)cc1 1310130471 CYZCPFNJUOKARA-CQSZACIVSA-N 415.537 1.534 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1 1310130714 HPNGYVCQMQOMJA-OAHLLOKOSA-N 404.496 1.639 30 10 HDEE C#CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 1313424676 GXBOOSRFCARGQO-PKOBYXMFSA-N 421.586 1.665 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cccn2)CCOC1 1314111687 DVQSUOOEQIMOJH-OALUTQOASA-N 403.462 1.659 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(N(C)C)nc1 1315032192 BNDRJDWECKDCBP-UHFFFAOYSA-N 418.505 1.898 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1316336589 LVZMHVBUNKCMIM-OAHLLOKOSA-N 421.548 1.626 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2=O)cn1 1357528700 FTFFQSRBRZYXMK-GOSISDBHSA-N 407.474 1.945 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358965953 FJIRIOMALVLEKP-OALUTQOASA-N 419.595 1.732 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1csc(C)c1)[C@H]1CCS(=O)(=O)C1 1358967292 HKSSRLLKSGEMFL-INIZCTEOSA-N 408.549 1.860 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1358968813 AAMHWSVTKRSAGE-WMZOPIPTSA-N 415.519 1.349 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(N)=O)c1 1358997220 KFQTUSYLIUSHOW-UHFFFAOYSA-N 404.474 1.011 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1359011862 OVALOYCCCAEYTD-IBGZPJMESA-N 421.549 1.944 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359052012 RDALCYUENURIEC-AWEZNQCLSA-N 423.564 1.683 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1359113549 KZMQVWUDPPVZPK-HUUCEWRRSA-N 409.556 1.497 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359221723 LOXVJMYFFVMAMR-KRWDZBQOSA-N 401.515 1.186 30 10 HDEE C=CCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)C1 1359225491 AQRHUVYBSHWDFX-UHFFFAOYSA-N 407.478 1.660 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1359271798 DRRJXYJLFLWPQK-QGZVFWFLSA-N 415.519 1.506 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1359278389 SEESNWYIYAANLS-UHFFFAOYSA-N 420.558 1.264 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359297395 OXSNHXANGQKNPD-KRWDZBQOSA-N 408.510 1.932 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc(O)n2C)cc1 1441890803 JJAJXBCOFHLDMT-LTGZKZEYSA-N 405.480 1.971 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccsc2)s1 1448158730 FBODJDIVWJHJAD-OAHLLOKOSA-N 414.530 1.847 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 1450599160 GCZVQDDPRKATQV-GOSISDBHSA-N 400.460 1.263 30 10 HDEE C[C@@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1452473834 GCKWZKLGKFCVHU-QWHCGFSZSA-N 409.508 1.598 30 10 HDEE COc1cccc(C(=O)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1455128027 WXSGTLHACMFSPD-UHFFFAOYSA-N 401.444 1.500 30 10 HDEE COCCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1460204514 NZDAVDOVSZFXEV-UHFFFAOYSA-N 408.524 1.580 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 1460486347 DYDOAGPADJLSTL-QINHECLXSA-N 420.535 1.659 30 10 HDEE C=CCC[C@@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OCC 1468126770 YGRRNIAZNLPKOG-MRXNPFEDSA-N 406.483 1.274 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1468963887 OVFAAIRQQDLOJN-OAHLLOKOSA-N 403.460 1.461 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)COCC(=O)NCc3cccnc3)CC2)c1 1469673986 FRJNKFHSMXPOGH-UHFFFAOYSA-N 421.501 1.367 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1469678939 MTRNIURECCXUCG-AWEZNQCLSA-N 409.508 1.694 30 10 HDEE C#C[C@H](NC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1)[C@H]1CCCO1 1469867831 LKHFFTIDXQYIMU-ZWKOTPCHSA-N 405.520 1.806 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C1 1470574419 WDMVRCSAOBKNHX-HOTGVXAUSA-N 403.552 1.951 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(C#N)cc2)CC1 1472363981 HFVUPGIEOJHENR-QFIPXVFZSA-N 420.513 1.829 30 10 HDEE COC(=O)c1ccc2[nH]cc(C3CCN(c4c(C#N)c(=O)n(C)c(=O)n4C)CC3)c2c1 1472882086 HHVGRHDCVMKXNU-UHFFFAOYSA-N 421.457 1.608 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CC[C@@]2(C1)CC(F)(F)C2(F)F 1473789211 CIJQVQCRUSLRSM-LBPRGKRZSA-N 407.330 1.832 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 1478826611 HWQFXTATCNPBIT-UHFFFAOYSA-N 408.499 1.744 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCN(CC)CC1 1503056919 GFNQLMJFKSOBGC-FQEVSTJZSA-N 407.538 1.674 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)C1 1505314392 CFGXFQFOUNGQTM-KDOFPFPSSA-N 407.446 1.810 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1507602222 YXQPDHGZEFNZBD-HNNXBMFYSA-N 413.507 1.192 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507620927 KYHMVPCJDUYFRS-UHFFFAOYSA-N 422.514 1.263 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCN(CC)S(C)(=O)=O 1507645891 HGYCUGQUNQDOIE-UHFFFAOYSA-N 402.524 1.028 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NC(C)C 1507664245 IOGXVUOJIDQQEX-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1CCN(C(C)=O)CC1 1507712065 BTXGVXAUXMHSJJ-LJQANCHMSA-N 403.527 1.864 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N(C)C 1507713872 ZOVZQGUDYPEBIP-UHFFFAOYSA-N 408.506 1.915 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507807460 VRWCJSBRXYKMPK-APWZRJJASA-N 413.526 1.947 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N2CCN(CC)CC2)C1 1508122081 HRMVDOLLJHRSRO-SLFFLAALSA-N 418.586 1.589 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(c4nccnc4C#N)C[C@H]3C)n2CC(C)(C)O)o1 1510816952 DYTQOWSMODYGQK-CQSZACIVSA-N 422.493 1.994 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1516160439 CMZWLSLVUNFSQG-OAQYLSRUSA-N 418.542 1.832 30 10 HDEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516545465 YAKUCYOPFFYUFX-ZGAGMJPPSA-N 413.482 1.471 30 10 HDEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccc(F)cc1 1517311059 AVBGINFMQHJMJP-IBGZPJMESA-N 424.484 1.678 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1517561180 HUBGPZVOWYNIBQ-UHFFFAOYSA-N 412.494 1.321 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1518745280 DRKMINNYWOTCJS-RCCFBDPRSA-N 412.469 1.858 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1528571375 IPKSMBORTQLADH-JZXOWHBKSA-N 420.531 1.836 30 10 HDEE N#C[C@]12CN(C(=O)CSc3ccc(C(F)(F)F)cn3)C[C@H]1CS(=O)(=O)C2 1537005336 COGWKJVXJOBXQT-SMDDNHRTSA-N 405.423 1.589 30 10 HDEE N#CC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F 1538302183 YNSHZEDWXHKOBR-OAHLLOKOSA-N 419.425 1.601 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1Cc1ccccc1 1539259849 IQFGPZCNCKYUNZ-SFTDATJTSA-N 416.529 1.967 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C 1539318635 UQNLYVOPATXYSS-LJQANCHMSA-N 407.522 1.901 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1540865164 WZFFSJDJQPMFMZ-RDJZCZTQSA-N 415.519 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@H](COC)C1 1540897635 OERZFAPFHWLXLK-PMPSAXMXSA-N 400.545 1.633 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1541088410 HKAZEGFLDPSNAE-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE CC(=O)NC[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1544160938 FADCRVHQQLBWNA-NHUHVJRWSA-N 420.510 1.137 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CCN1C1CC1 1544372031 ROWMESWEAFURCO-GDBMZVCRSA-N 404.264 1.729 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(C)CN(C2CC2)C1=O 1545826525 PAOSKJOZWDDTEK-QKKBWIMNSA-N 415.542 1.946 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2ccnc(C#N)c2)C1=O 1556464671 AKSLDMGVZRNCIT-IBGZPJMESA-N 415.812 1.829 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C(=O)OC 1556971030 OYOYLWQRVRAMEL-OALUTQOASA-N 416.499 1.824 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1557240254 FHZFLHAWVUWALW-LYZGCBJASA-N 420.388 1.475 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 1557534177 AASWMJGPXMLDLX-YJLNNSPDSA-N 415.519 1.486 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)n1cnc(C#N)n1 1558402383 NVHMNAGYQNILNY-HBNTYKKESA-N 402.377 1.625 30 10 HDEE C=C[C@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1563728939 PXOFOLGVWVOXHH-MRXNPFEDSA-N 400.458 1.288 30 10 HDEE Cn1ccc(NC(=O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1568384178 BPIGUULAIILCSX-LQZXRHCMSA-N 416.482 1.262 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CCC1 1585010609 ZMANRWDUDMYZIM-UHFFFAOYSA-N 419.547 1.697 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CCNS(C)(=O)=O 1587915870 UXPPHHDCCFRHHP-MRXNPFEDSA-N 405.524 1.654 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1593763203 DHSYBBLVDVWHDM-SFHVURJKSA-N 415.542 1.789 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1594096544 CXSSKIOFSZGXND-KRWDZBQOSA-N 421.567 1.643 30 10 HDEE Cc1nccc(NCc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)n1 1598567879 OSALLQOOQMVDSA-FXAWDEMLSA-N 411.487 1.408 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(CCCOCC(F)(F)F)CC1 1615252155 TVWKSINXYMNCCA-KRWDZBQOSA-N 401.429 1.885 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1619210346 BWTAHHXUGDGSGU-APWZRJJASA-N 412.494 1.403 30 10 HDEE C#CCN(CC(=O)NCC(=O)N[C@H](C)c1ccc(F)cc1)CC(=O)OC(C)(C)C 1619904627 IKBIHDGMPRXTOW-OAHLLOKOSA-N 405.470 1.396 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@@H]1C 1619913491 FKPQXULPPVPXAS-OXJNMPFZSA-N 404.515 1.318 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OC 1622571295 ARJBOTRKEVVMEZ-NVXWUHKLSA-N 411.476 1.729 30 10 HDEE Cn1cncc1C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1623604877 OCPQGYMHEJPZQW-GOSISDBHSA-N 420.473 1.903 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)C1 1630246378 CQMFPGACIWRPJH-HUUCEWRRSA-N 405.296 1.917 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1631611356 UKMJHPDOZHULGL-MAUKXSAKSA-N 401.463 1.816 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 1631764168 WAONBJONNFQDGU-UKRRQHHQSA-N 417.462 1.562 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)CC2)c(F)c1 1633089644 AHKXSFJIQGCSAU-UHFFFAOYSA-N 420.510 1.550 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCSC1 1633418887 OCHWSIPGSHLYRD-QGZVFWFLSA-N 424.320 1.922 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1cc(C)cc(C)c1)c1cc[nH]n1 1633608272 UEMQKABEKJEICA-KRWDZBQOSA-N 416.434 1.341 30 10 HDEE CN(CCO)CCN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1634110604 GIUUUPVVURUUDH-IBGZPJMESA-N 416.522 1.775 30 10 HDEE C=CCn1cc(CNC(=O)N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)nn1 1636330564 HXRFJGSFRRNFSL-LJQANCHMSA-N 406.487 1.386 30 10 HDEE COc1ccccc1[C@H](C)N(OC)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1640101007 AIOASUXOUGXONE-ZDUSSCGKSA-N 403.460 1.885 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 1641521381 NQQRHJBUQGUKAK-QGZVFWFLSA-N 415.471 1.548 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C(=O)OCC)c2cccnc2)cc1 1645220895 SRQPAKSCTJSGCD-GOSISDBHSA-N 415.471 1.370 30 10 HDEE C=C1CN(C(=O)c2cc(S(=O)(=O)NC[C@H]3CCCO3)ccc2Br)C1 1645280872 VYFFOLLQMVBSLL-GFCCVEGCSA-N 415.309 1.918 30 10 HDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC(c2ccccc2Cl)=NO1 1645997550 DBNJCWRQHHJQDF-UYHISHBKSA-N 407.879 1.620 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccs3)C2)nc1 1646095504 IYBVFNKJBCYXMK-AWEZNQCLSA-N 405.505 1.396 30 10 HDEE C#CCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1648317974 JGRKOSDSJAUQSM-KRWDZBQOSA-N 407.471 1.487 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)C1 1651805939 XTBUQCWUXUUZIJ-CQSZACIVSA-N 406.439 1.010 30 10 HDEE Cc1nccc(NCc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)n1 1652521350 OSALLQOOQMVDSA-PXNSSMCTSA-N 411.487 1.408 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCCN(CC#N)C1 1654363270 QPISJPDJMSXJTB-MOPGFXCFSA-N 402.495 1.670 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCC[C@@H]3C#N)CC2)cc1C 1655296744 MCBMPBZLISPVDB-QUCCMNQESA-N 418.563 1.760 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1655341223 NBLXWSLUPZBWBR-INIZCTEOSA-N 411.524 1.492 30 10 HDEE CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1661088767 GPPOSGUSFJJPCZ-NSHDSACASA-N 418.288 1.997 30 10 HDEE C#CC[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OC 1664368432 XAGCWIAJWRPJKR-LLVKDONJSA-N 404.238 1.162 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1669081246 FXCOJRIHCMYEGQ-HZPDHXFCSA-N 405.499 1.454 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C(N)=O)c2ccccn2)cc1 1673398545 MHTVCLBNLPCPRW-MRXNPFEDSA-N 403.464 1.236 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3cccnc3)ccc2C)CC1 1677244168 SDCOGKPNLGBXDO-UHFFFAOYSA-N 413.503 1.674 30 10 HDEE C#C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@@H]1CCCO1 1680314300 MSTHGQUXXZHHTL-FZKCQIBNSA-N 417.428 1.425 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H](CC)CNS(C)(=O)=O)c1ccc(Br)cc1 1681242103 XQUZEONAWBKWPM-UONOGXRCSA-N 402.314 1.750 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689935633 NOZPYLYEJVUDNI-QGZVFWFLSA-N 402.520 1.936 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1689956933 KQGQJHJXCHDSKC-CZIZESTLSA-N 401.430 1.413 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(C)(=O)=O 1690051305 VKQAKVDERNEDEE-UHFFFAOYSA-N 409.515 1.858 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnnn1C 1690089429 AQHQFBKMAUPDKC-QGZVFWFLSA-N 408.441 1.185 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(C)nn(C)c2C)CC1 1690111654 GXPGKVBCQFDHRP-SFHVURJKSA-N 415.542 1.156 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H](c2cccc(C)c2)N2CCOCC2)CC1 1690113608 ORGWYTPZJSHWDA-QFIPXVFZSA-N 408.550 1.724 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1690497488 RCTPJDQFWCWVSR-HUUCEWRRSA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CCC)C2)nnc1[C@]1(OCC)CCOC1 1690678352 TXQAXEPCNSBVAG-UZLBHIALSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690715359 JPAKHKXQVASFFY-HZPDHXFCSA-N 409.556 1.594 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1=O 1692423600 GPWUYADMJTVLKU-UHFFFAOYSA-N 423.521 1.646 30 10 HDEE CCc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694679030 IPMGZKPUCWCHEE-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695898393 BDJJPHLWIUNWHC-NQIIRXRSSA-N 419.549 1.989 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(OC)CCOC2)CCOC1 1696045424 CANMPLYHLJMXSI-SFTDATJTSA-N 419.526 1.866 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)C1CCC1 1696630019 UPSXRSXEDAPUFO-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1705560727 MWPPYRZZLOYIJK-MRXNPFEDSA-N 401.536 1.954 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705567044 SRRZTYALLIOSEE-SFHVURJKSA-N 406.552 1.989 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCOCC2(C)C)CC1 1705644409 PWMARGBOARUKRL-UHFFFAOYSA-N 416.570 1.478 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 1705781435 ZMAOILAVVWMTDG-CXAGYDPISA-N 415.585 1.159 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CC(=O)NC)CC1 1705902715 MBXFZROTPCTGEW-UHFFFAOYSA-N 400.483 1.501 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCOC2)C1 1705920645 BUMMFILKMPEMOF-BEFAXECRSA-N 405.886 1.926 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccs2)C1 1705925561 QRCCJQTZDIQJPA-HUUCEWRRSA-N 423.564 1.661 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2C[C@H]1CO2 1705934574 QAIVUJBRPSMBTD-HOTGVXAUSA-N 403.508 1.617 30 10 HDEE CC[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1710916005 ODLXEYRWBMDOJS-QYSRSOONSA-N 409.462 1.644 30 10 HDEE COC(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1711449899 WGNOCRNQEJGOLZ-FBMGVBCBSA-N 414.466 1.071 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1722278430 QKTQKBVFHNKUFH-QWHCGFSZSA-N 409.487 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1722295580 ULZASSBLZXMJRA-OAHLLOKOSA-N 418.542 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(=O)(=O)CC 1722301095 VEGMHZJNYKMGNJ-OAHLLOKOSA-N 407.515 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1722347102 ZFIICTCLDGYMLJ-NRFANRHFSA-N 416.478 1.846 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1722424371 KTCRWCIAHJRHGY-INIZCTEOSA-N 403.508 1.251 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCN1CCCO[C@@H](C)C1 1722427820 ONNKLATZGFWUHS-RBUKOAKNSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(C)C2CCCCC2)CC1 1722438473 SULCQMSRCZCDSD-UHFFFAOYSA-N 408.554 1.755 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722459076 BTCSBJLZWQYBOW-ZWKOTPCHSA-N 419.595 1.838 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCC(=O)NC 1722493317 HDFDTLNIORZGOW-JSGCOSHPSA-N 416.320 1.483 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1722618731 MMSQUEBGRHTCSB-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722699026 QNOFOHNUFVHXOG-DLBZAZTESA-N 413.526 1.592 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@H](C(=O)OC)C1 1722700425 JGVGIEQAIQUQHW-INIZCTEOSA-N 413.478 1.179 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722701012 CFOSKPVDOSWLET-IAGOWNOFSA-N 417.535 1.617 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1 1728604853 CUWCJSFLBRLMBO-MOPGFXCFSA-N 410.570 1.886 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CCC2)CCOC1 1728778058 DQQCTALDFZLUEA-WRONEBCDSA-N 421.567 1.971 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1729068813 JYRQUWFJYOWOAQ-GOSISDBHSA-N 415.542 1.298 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1729706867 QRPUCGJIOPKILH-AVRDEDQJSA-N 424.505 1.727 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC1(O)CC1 1730749788 BWZDEWUWUFPPJE-UHFFFAOYSA-N 405.462 1.785 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@]1(C)CN(C)C1=O 1730760856 CUYVRGDVLRALRE-NRFANRHFSA-N 412.494 1.798 30 10 HDEE C#CCCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1740579715 NPANDCYYPKCUGV-OAQYLSRUSA-N 419.526 1.029 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740600068 IKIJSEKRHRQABX-CJNGLKHVSA-N 414.441 1.615 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1740622925 LBHXIQPAXDQMQZ-HAWMADMCSA-N 410.565 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1COCCO1 1740659157 KKGPEWCZGZHRSP-GOSISDBHSA-N 410.474 1.744 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1740685670 JWMDTCMUIYSAQM-CYBMUJFWSA-N 417.329 1.175 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCC)cc2)CC1 1740694236 CUEAOUBQAPUETD-IBGZPJMESA-N 408.506 1.431 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCCC2=O)CC1 1740715245 GLHZWOUQLMHWNZ-UHFFFAOYSA-N 413.551 1.636 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(OCC(N)=O)CC1 1740760311 HXKIQONDJMVYMA-VQIMIIECSA-N 403.527 1.998 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1740775972 JPVYMZPAROYMNA-QGZVFWFLSA-N 406.556 1.977 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1740791327 BSLSLVPVFWPLKB-UHFFFAOYSA-N 415.542 1.875 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1740795210 PQKGOZZNMCZUQZ-INIZCTEOSA-N 413.544 1.192 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(O)c1 1740940429 FTFBRUAOXIGMJC-OAHLLOKOSA-N 401.467 1.631 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCCN(CCC)C(=O)C1 1740986871 JVUUNMRKNPSMRU-INIZCTEOSA-N 411.572 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740990367 SCYFLHGGGWALKG-INIZCTEOSA-N 420.539 1.227 30 10 HDEE CC(C)(C)c1csc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1741156631 DPIIMVXVNVJCNW-STQMWFEESA-N 415.523 1.760 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1741636136 CKEIBOZKQIZREO-VFNWGFHPSA-N 412.494 1.464 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)OC)CCN2C1=O 1746339938 PNNPNCMNMFNJRC-PBHICJAKSA-N 423.477 1.324 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1748717716 GXVQDZJMFQARPP-NVXWUHKLSA-N 407.540 1.041 30 10 HDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1748761757 AUUMLESWGNCYDJ-CNNODRBYSA-N 417.554 1.501 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)c1cc[nH]n1 1748784364 LFMKXVGXDHBYRU-UHFFFAOYSA-N 415.461 1.353 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1748846306 FWRMCBSBPVFXSE-QZTJIDSGSA-N 410.499 1.257 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC(=O)N1CCOCC1 1748880044 LBEBJWPAXGZPFG-UHFFFAOYSA-N 407.474 1.275 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1748922844 NUBRROCWDUVUTH-UHFFFAOYSA-N 419.507 1.290 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748926562 FTRSWCXJQYHSML-PMACEKPBSA-N 422.533 1.304 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC2(C)COC2)n1 1748971598 WLEYAVGNDYTYMT-GOSISDBHSA-N 414.510 1.649 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H](C)N(C)C)CC1 1748984800 ROVUXPGTBORMPX-KRWDZBQOSA-N 412.538 1.668 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](N1CCOCC1)C(F)(F)F 1749498723 GUXFRHMPIKAZDL-CQSZACIVSA-N 416.448 1.286 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@]1(N(C)C)CCSC1 1749596512 ZOXRQBUKCOVZAS-IBGZPJMESA-N 403.556 1.811 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1760145201 KBFNUROKAYTWEQ-HNNXBMFYSA-N 400.508 1.810 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760148244 SZDJJPGRNPXYLU-QGZVFWFLSA-N 424.505 1.932 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1760163417 VEIBPMXWHITQRP-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1760185812 DWGVRMLARDZOKF-HNNXBMFYSA-N 407.565 1.783 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187342 CVZADDNNPUBMQT-MRXNPFEDSA-N 414.535 1.942 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760280440 FKWJCEXNOOGXON-SFHVURJKSA-N 423.546 1.742 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760350132 VUFIVIRUYDKNCF-UHFFFAOYSA-N 410.569 1.682 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760527367 UKBLJQUPSKURCP-IRXDYDNUSA-N 413.522 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](C)C1 1760548796 PLEMVPMJMDKKON-INIZCTEOSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCOCC1 1760552860 DBNFQESNHNFOIB-UHFFFAOYSA-N 422.507 1.400 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760565849 FYIWRONSTVXVNZ-GJZGRUSLSA-N 415.585 1.219 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1762389451 CCUWSBRHTKNRQI-ZDUSSCGKSA-N 406.494 1.916 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1763200977 DENMJOABTMYRIU-RBUKOAKNSA-N 407.522 1.872 30 10 HDEE CCOc1ccccc1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1766061905 FAEKPVMKLUZYFU-SJORKVTESA-N 410.478 1.599 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1770251301 KMGUREGIPKHUMD-INIZCTEOSA-N 405.480 1.694 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1770727196 DCVPKCMUVMIMDU-WBMJQRKESA-N 421.445 1.294 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CC1 1771539940 PANUHUSWGVUDNQ-DLBZAZTESA-N 423.539 1.116 30 10 HDEE CC(C)N(CC#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)C 1850120629 DMESPWXALXYWTK-UHFFFAOYSA-N 421.563 1.560 30 10 HDEE COc1ccc(N(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=S)N=CN(C)C)cc1 1851233993 JRMWEYGZSXTQHH-AWEZNQCLSA-N 416.507 1.845 30 10 HDEE CN(C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)c1ccc(C#N)cn1 1851614002 VKGVFKIUAQLXIA-GOSISDBHSA-N 404.536 1.985 30 10 HDEE O=C1Cc2cc(S(=O)(=O)NC(=NOCCCN3CCCC3)C3CC3)ccc2N1 1853500615 RNFGJGFZUSQFTB-UHFFFAOYSA-N 406.508 1.686 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@H]43)ccc21 1853966452 GTJODCLBDMNYDZ-QZTJIDSGSA-N 417.487 1.738 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)COc2ccc(F)cc2)CO1 1854012824 NJKDVXDAQMHFNF-MRXNPFEDSA-N 406.391 1.624 30 10 HDEE Cn1ccc(CC(=O)N2CCC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)n1 1855009563 JSTDAWODYCKMOC-LJQANCHMSA-N 406.490 1.626 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2=O)CC1 1855161466 GRVGEQATKAYYEQ-CVEARBPZSA-N 402.520 1.840 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1C[C@@H](OC(=O)c2cccc(C#N)c2)CO1 1855182431 NTYGGPHNIOHILP-OAHLLOKOSA-N 406.391 1.867 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855725405 YQTPUURWVNEQCP-LSDHHAIUSA-N 408.499 1.579 30 10 HDEE Cn1nc2c(c1CN1CCN(C(=O)c3ccnc(C#N)c3)C(=O)C1(C)C)CCCC2 1855831244 OYUYRKOAMUQNCJ-UHFFFAOYSA-N 406.490 1.829 30 10 HDEE C[C@H](C(=O)N1C(=O)CN(CCC#N)c2ccccc21)n1nnc2ccccc2c1=O 1856132437 IXMBDKJAMJZAJM-CQSZACIVSA-N 402.414 1.646 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnc3ncc(Br)cc3c2)CCN1CCC#N 1856182699 KVGHNVIACQVUKT-LLVKDONJSA-N 402.252 1.979 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nc(-c4cccnc4)no3)CC2=O)cc1C#N 1856343767 NLRXOSMNFVXDSM-UHFFFAOYSA-N 402.414 1.796 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CSc3ccc(OC)cc3)OCC2=O)CC1=O 1856585303 SKWCRXINNKENMT-GDBMZVCRSA-N 404.488 1.576 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(c4cncn4C)CC3)CC2=O)CC1=O 1856818674 BBDLMWYKEKNGTA-AEFFLSMTSA-N 413.522 1.009 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3ccc(-n4cccn4)nn3)C1)CC2 1857229778 DIJRSFZBXIYTIN-HZPDHXFCSA-N 405.462 1.277 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)ccn1 1889736510 FXXDCXPQBLYOSB-LLVKDONJSA-N 417.351 1.951 30 10 HDEE CN(C)CC#CC1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1890366991 DXRBNYWXISRRDJ-UHFFFAOYSA-N 403.504 1.306 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2SCC(=O)N(C3CC3)[C@H]2c2ccc(OC)cc2)C1 1890895008 AIUZMSDGSLVYQP-PMACEKPBSA-N 400.500 1.703 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc([N+](=O)[O-])ccc3F)CC2)CC1 1891176138 FAFBRYFBRZHIIB-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C1(O)CN(C(=O)OC(C)(C)C)C1 1918784507 GTEPABOLDXGUGI-NSHDSACASA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2010406389 UGFUESYSVMMUSN-KBPBESRZSA-N 422.331 1.909 30 10 HDEE CC1(C)OB(c2cnc(N3CC(N4CC(F)C4)C3)c(Br)c2)OC1(C)C 2116143185 WZCGAYKHWKKKOD-UHFFFAOYSA-N 412.112 1.986 30 10 HDEE CN1CCN(C[C@](C)(O)C(F)(F)C(F)(F)F)[C@H](CNC(=O)C(F)(F)F)C1 2162904550 PADBJOHWUZCFOC-SCZZXKLOSA-N 401.298 1.230 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783161 YUQDFIGGJJNTEE-HNNXBMFYSA-N 401.529 1.873 30 10 HDEE CC1(C)OB(c2cc3c(s2)CCN(C(=O)NCS(C)(=O)=O)C3)OC1(C)C 2206353519 JPAJFWMAZYSSMQ-UHFFFAOYSA-N 400.331 1.117 30 10 HDEE C[C@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243380809 FNKRXHIPXVJQPU-QWHCGFSZSA-N 402.222 1.927 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243394655 KTXOOJLDGRLCGA-UONOGXRCSA-N 410.320 1.814 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243483673 RSPACHOQHFEGRM-AWEZNQCLSA-N 407.320 1.866 30 10 HDEE CN(CCN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2247844786 HWWKNUIDNYASJZ-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)(C(N)=O)C1 2247914210 HQGHZVMAVBARRL-UHFFFAOYSA-N 423.319 1.451 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247916788 DQSUIYZBWHHBIH-UHFFFAOYSA-N 418.303 1.544 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2247934013 WEUYYOPSMXPKIY-XHSDSOJGSA-N 420.315 1.904 30 10 HDEE CC(C)(C)C#CCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258154711 KENLVWBEXBVEPZ-MRXNPFEDSA-N 410.492 1.725 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258176732 XPULIPNIGLAZDM-IAGOWNOFSA-N 408.476 1.477 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713544 CBCZRDTZUVQRQU-OAHLLOKOSA-N 407.388 1.440 30 10 HDEE COC[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338483 RKDHONMIQXYJTI-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H](N)C3)c(Cl)c2)OC1(C)C 2282494474 ZGRBPJSFQLEYNK-OLZOCXBDSA-N 400.737 1.797 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCCNCC2)OC1(C)C 2282498982 LUTWJCUCQPPJRA-UHFFFAOYSA-N 400.737 1.623 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCSC)cc1B1OC(C)(C)C(C)(C)O1 2282502575 NCLLVLOUHQBFAR-UHFFFAOYSA-N 401.359 1.978 30 10 HDEE CNC[C@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507338 GHIVXYTZNHNEOU-CQSZACIVSA-N 400.375 1.561 30 10 HDEE Cc1nc(C(=O)N[C@@H]2CCS(=O)(=O)[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282519491 LJBKRPMIGDEDJC-GXSJLCMTSA-N 400.331 1.056 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)CC1(C)OCCO1 2282582354 VNPLMGBRJSSLTD-ZDUSSCGKSA-N 407.320 1.547 30 10 HDEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(N)(=O)=O 2282813570 DHOUYCXJCHLSFQ-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H](CN)C2)OC1(C)C 2282847649 BUPFCRNNZZLVMA-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE CSCC[C@@H](O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282863411 RIVISWLTRUMHDC-LBPRGKRZSA-N 421.415 1.830 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)c2cncc(C#N)c2)cs1 2286720738 HYNGRBDRVXTAKS-UHFFFAOYSA-N 409.493 1.913 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H](CP(C)(C)=O)C(=O)O)c2)OC1(C)C 2360621124 SRUNRCWOZRCOBO-LLVKDONJSA-N 401.230 1.853 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367791460 JKBDLKKBUUSLAS-GJZGRUSLSA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CC1(NC(=O)OC(C)(C)C)CCOCC1 2367794965 KEZSDUPWYKJTRM-OAHLLOKOSA-N 400.541 1.619 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367805262 ZSFZDFAPAMTSHX-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3nnc4ccccn34)CC2)cc1 16500217 ATGNNLQDVDTCBS-UHFFFAOYSA-N 424.486 1.318 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(-c3csc(C)n3)c2)CC1 45606579 DUMCYRMMPOZAIJ-UHFFFAOYSA-N 413.547 1.977 30 10 HDEE N#CC(C#N)=c1s/c(=C/c2ccccc2F)c(=O)n1-c1ccc2c(c1)OCCO2 96930530 ZWUUIHMQXAONRW-DJKKODMXSA-N 405.410 1.836 30 10 HDEE COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(F)(F)F 254372543 OOKPZKSDHRRHNT-RYUDHWBXSA-N 408.423 1.953 30 10 HDEE Cn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 254791835 SJWNHNFXXFQFTJ-UHFFFAOYSA-N 404.430 1.634 30 10 HDEE CCO[C@@H]1C[C@@]2(NC(=O)N([C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)C1(C)C 431598039 ALBQUZNBUPQLNR-YVHKJVDXSA-N 410.474 1.785 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@]2(CNC(=O)C2)C1 433971235 WQNWYPBEIHMIRP-SFHVURJKSA-N 422.279 1.837 30 10 HDEE COC(=O)CC1(NCc2ccc(C#N)cc2OC(F)F)CCS(=O)(=O)CC1 439254558 BDAVKTSBEXWIGX-UHFFFAOYSA-N 402.419 1.760 30 10 HDEE CCCc1c(NC(=O)N[C@@H]2CCCN(CCO)C2=O)cnn1-c1cccc(C#N)c1 439669224 CXMAITNYCCDWMK-QGZVFWFLSA-N 410.478 1.801 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(C)(C)Oc1ccc(C#N)cc1 439892702 IDKJDGHZQWRSOE-NCOADZHNSA-N 400.431 1.667 30 10 HDEE COc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(NC(C)=O)c1OC 463352079 XZHHVGDOOKAQJX-UHFFFAOYSA-N 409.446 1.891 30 10 HDEE COC[C@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 464506502 FHAPWEPAXQXPFZ-DYVFJYSZSA-N 412.368 1.847 30 10 HDEE Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)n2)cc1 467076748 WLORTKQNWNKRPU-HOTGVXAUSA-N 420.477 1.975 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(-c2ccccc2)c1C 467153848 XGNSSKYDVILESX-QGZVFWFLSA-N 415.519 1.657 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 474795198 VULFHGOXAXRBFV-OAHLLOKOSA-N 406.508 1.389 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475391228 DZCNZLCVWCIMDA-OAQYLSRUSA-N 412.490 1.911 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)CCC1 477525351 MWHAWXYBQPSMLE-HNNXBMFYSA-N 415.512 1.592 30 10 HDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2c(F)cccc2CC)c1=O 479590726 OERBZMZAWXUIMR-UHFFFAOYSA-N 414.502 1.502 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](O)CCc2ccccc2)CC1 493002775 IHTVTIWCEORXMQ-LJQANCHMSA-N 413.499 1.385 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 498357035 WORLCFIBIXTFIW-OAHLLOKOSA-N 423.920 1.687 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 508038134 MXEGATYCXFVXOX-UHFFFAOYSA-N 405.501 1.473 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](CC(=O)OC)C1 508815047 XSNBVEQAMFNKNZ-HNNXBMFYSA-N 402.451 1.917 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 509001052 LRPAMTJHHSAHFR-UHFFFAOYSA-N 410.478 1.606 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1 518019754 NDFMEIFGQAPBIJ-OAHLLOKOSA-N 423.441 1.082 30 10 HDEE Cc1nc([N+](=O)[O-])cn1CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 522210711 XGVBMGZRJXQOQZ-HNNXBMFYSA-N 414.447 1.902 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 525405733 MZUYKGRWCKLASM-RBBKRZOGSA-N 403.486 1.817 30 10 HDEE COC(=O)[C@]1(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCSC1 535372226 DPYQUIKFMIFWSD-ZDUSSCGKSA-N 405.295 1.648 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](S(N)(=O)=O)C2)n1 546110883 UGFWYDXIJGVXRD-ZDUSSCGKSA-N 408.871 1.682 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CN1CCN(c3cccc(C#N)n3)CC1)CC2 546211663 YTMYJTDPOZQKCO-UHFFFAOYSA-N 421.501 1.677 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CCC4)CC2)n1 546878321 OWWQOTMALPOEOL-UHFFFAOYSA-N 424.526 1.955 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 564441168 PCMOKOBQSAUWBK-AWEZNQCLSA-N 401.448 1.901 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)c(F)c1 586863017 HEIZPDDJVPTJRB-LJQANCHMSA-N 410.449 1.197 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586863661 WOMKZJIETCADPL-IBGZPJMESA-N 424.432 1.239 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2oc3ccccc3c2CS(C)(=O)=O)CC1 588080607 QIOUWECQDWSTSS-UHFFFAOYSA-N 419.503 1.037 30 10 HDEE C[C@@H]1CCC[C@@H](OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609575871 KJVBWDOZNDTECA-SJLPKXTDSA-N 405.520 1.986 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3cnccc23)c1=O 611917512 NWGGDSUVGDAJBN-UHFFFAOYSA-N 418.522 1.919 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc(-c2ccoc2)no1 729866772 GVWCPGQXKPOZPN-UHFFFAOYSA-N 402.388 1.502 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 732066655 VRXBVCYYTGNXPT-OGZRUICASA-N 410.430 1.861 30 10 HDEE C[C@H](Sc1ncccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCCC1 732649326 FSCRMDFQJQOBCN-RDJZCZTQSA-N 413.547 1.997 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)nc1 733254134 VDKIYEGOQADKOD-FQEVSTJZSA-N 414.469 1.918 30 10 HDEE CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224296 ACYYNDBRKHCUDT-MRXNPFEDSA-N 406.508 1.825 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 745100082 MCBOPPSONIYHLD-HYEKCJMVSA-N 407.423 1.025 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1C#N 747496052 YOIULPXGXYLFTB-UHFFFAOYSA-N 423.397 1.818 30 10 HDEE C#CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@H]1CCS(=O)(=O)C1 757906250 UJEVEAQGEBEFSO-LBPRGKRZSA-N 424.931 1.933 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1=O 763711882 BSUVNGYGHMLFQA-UHFFFAOYSA-N 415.413 1.274 30 10 HDEE C[C@H]1CC(=NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)NO1 765385517 UVSJJBPUKZIFIR-VIFPVBQESA-N 418.269 1.041 30 10 HDEE C=CCS(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 772717681 GKGCXVZCNZHDQV-UHFFFAOYSA-N 420.512 1.679 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 781001118 YDBOXSSAKHVWKR-LJQANCHMSA-N 401.488 1.842 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 781384408 CICUEYDTAFWCHT-MRCUWXFGSA-N 409.421 1.813 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)CCCC1 786297354 PUCLEFNDHYKWNR-FQEVSTJZSA-N 415.494 1.431 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 787057743 XKDXNHDOMDEFOU-CRAIPNDOSA-N 406.398 1.973 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc(C(=O)OCC)cs2)c1 787343879 XNFUZAXDPMFYBB-UHFFFAOYSA-N 421.500 1.204 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2oc(C)c3c(C)nnc(O)c23)n1 789324045 GHDNZVBGKQOIAB-UHFFFAOYSA-N 412.450 1.462 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nc(O)c3ccc(C(=O)OC)cc3n2)n1 789324301 ILADVPFGXQOETH-UHFFFAOYSA-N 409.446 1.600 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)cc1C 790678830 NADGWJKLYPHSNG-JOCHJYFZSA-N 411.458 1.706 30 10 HDEE C[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 793931256 HLTSARPHNIMFDD-CQSZACIVSA-N 406.508 1.023 30 10 HDEE COc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c(C)c1OC 794391911 SQDPCDVAMQCSIR-UHFFFAOYSA-N 419.459 1.698 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncnn1C(C)C 798134896 HEGJXBABXLUHRB-HNNXBMFYSA-N 418.523 1.773 30 10 HDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 807933967 HHILGXCFKILTDS-MRXNPFEDSA-N 409.475 1.487 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(Cl)cc1 810472014 ASTXXFVBOHGEEV-QGZVFWFLSA-N 424.844 1.821 30 10 HDEE COc1cc(CNC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)ccc1C#N 811868102 WKRNDFOQTRAMOV-KRWDZBQOSA-N 411.384 1.940 30 10 HDEE C#C[C@@H](NC(=O)NCC(=O)Nc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1 812933408 BRKKQTQIYROKBU-QGZVFWFLSA-N 418.450 1.346 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(CN4CCOCC4)C3)ccc2c1=O 816713119 BUTNQDUKMHWYLH-UHFFFAOYSA-N 400.504 1.275 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1nccs1)C(F)(F)F 818320828 BICFQTSVQNHDJR-GFCCVEGCSA-N 418.422 1.992 30 10 HDEE CCc1nnc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)o1 819462870 BXSWRLAQDPKASU-CYBMUJFWSA-N 405.480 1.402 30 10 HDEE CN(C)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 919965993 RIPSOMMHKYFCEV-UHFFFAOYSA-N 406.552 1.838 30 10 HDEE CNC(=S)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1084216798 IPJAKJICSFJWFA-UHFFFAOYSA-N 407.455 1.127 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1135762449 KCAKYHXPYZCDFB-SFHVURJKSA-N 420.510 1.493 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1137093083 QSAGBNGAIODHHR-UTCJRWHESA-N 407.423 1.070 30 10 HDEE N#CC1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCSCC1 1137574082 RTADZNZDNJQOAE-UHFFFAOYSA-N 411.505 1.032 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)nc1=N 1139043151 ZQMQWTARZLIPPK-UHFFFAOYSA-N 416.507 1.325 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1141594008 QQGHAZUYRHPVBW-QVKFZJNVSA-N 408.454 1.386 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1142593002 FIJMXTFGGUYIDB-GJZGRUSLSA-N 411.499 1.516 30 10 HDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)N1CC(Nc2cccc(C#N)c2)C1 1149469410 UZBNLJYSULRQKK-UHFFFAOYSA-N 423.498 1.775 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)o1)S(C)(=O)=O 1149512670 DQVGIHXXWBOVAX-UHFFFAOYSA-N 403.464 1.183 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc2n1 1156691029 WUDIERXGFKKWEM-GOEBONIOSA-N 402.476 1.196 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c1 1159734123 MQQSIDRRWFWAKN-UHFFFAOYSA-N 421.519 1.986 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1184168761 WOBSOSSDEXPWLO-UXHICEINSA-N 420.469 1.702 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNc2cc(C#N)nc(C3CC3)n2)cc1 1185766156 GUAWGCNPHHHBCW-UHFFFAOYSA-N 400.460 1.926 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)nn1 1191583478 XOXYFWYAFPDFQU-UHFFFAOYSA-N 413.525 1.239 30 10 HDEE C#CCCCS(=O)(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1195311615 XYGCXXOETFLINR-CQSZACIVSA-N 400.497 1.072 30 10 HDEE C=CCN(C(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1)[C@@H]1CCS(=O)(=O)C1 1207457943 TWESVXSEFLEWCD-CABCVRRESA-N 412.512 1.994 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1225936675 GAXAVMYUBHCZTH-MSOLQXFVSA-N 415.494 1.881 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1)C1CCOCC1 1231332884 UWAPJFQTVJWQAK-RDJZCZTQSA-N 405.499 1.423 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1252076263 CFZWFMWTRIBSFC-JYJNAYRXSA-N 423.510 1.629 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 1256584536 GCZGGNMGGSBDGT-GOSISDBHSA-N 401.511 1.950 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1286335853 MVTLLIRAUOJEJP-UHFFFAOYSA-N 400.462 1.085 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1286407168 QJFCINXZDXYOAA-HXUWFJFHSA-N 419.533 1.356 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1286413826 NVBFZEARCLQZAJ-HXUWFJFHSA-N 420.517 1.872 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1286464649 DASUUVWABKBXCC-KURKYZTESA-N 402.543 1.436 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(OCCO)c(OC)c2)CC1 1286470308 XEUGVIIAWCXBET-UHFFFAOYSA-N 413.522 1.585 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1C 1286574011 SGDLJJSKWLNNQN-UHFFFAOYSA-N 419.493 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1286820141 FRSRAEOUGGHBIV-HNNXBMFYSA-N 411.572 1.559 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCNS(C)(=O)=O 1288530276 DPMUOVFIXDPWTH-CYBMUJFWSA-N 410.475 1.284 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1OCCC1(C)C 1288814220 CAVBMPBEDSVXBD-HUUCEWRRSA-N 424.571 1.833 30 10 HDEE CC1(C)CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1289003412 GUXFLPNFDNMWFJ-ARFHVFGLSA-N 407.540 1.735 30 10 HDEE C=CCOC[C@@H](NC(=O)CCn1c(S)nnc1-c1ccc(C)cc1)C(=O)OC 1297029051 BTZNOXLHYPWJBJ-OAHLLOKOSA-N 404.492 1.793 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)F 1298862370 RESSBOYHISFVRY-OAHLLOKOSA-N 405.453 1.742 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1300076397 FYVXRTLIMBVPDO-IAGOWNOFSA-N 410.478 1.597 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300313033 AAJDYQBEOJMFCH-CRAIPNDOSA-N 419.526 1.890 30 10 HDEE C#CCCCn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCNC(=O)C1 1300408024 GXTUWLHQROHRKI-INIZCTEOSA-N 416.526 1.742 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC[S@](=O)C(C)(C)C 1300673612 RSCJNYWARCAXKE-NDEPHWFRSA-N 403.552 1.897 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS[C@@H](C)[C@@H]1C 1301479108 TZZPDGNVZWHCRT-KBPBESRZSA-N 408.572 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCCCCC1 1301584626 CHMVXAJRRJNQAI-UHFFFAOYSA-N 421.523 1.987 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1303635159 ATERGTPJPOGPFW-LKBUQDJMSA-N 423.477 1.872 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cs1 1304665599 FMFPBYHZBUNRPI-LIRRHRJNSA-N 419.530 1.797 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1304741910 BHTWIHVHSQCLIF-VXPUYCOJSA-N 424.509 1.512 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]3[C@@H](O)c3ccccc3)CC2)o1 1307987252 GZUPMKNFMFDTAD-CTNGQTDRSA-N 409.490 1.701 30 10 HDEE COc1ccc([C@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)cc1 1308006900 RRAIHYPZYBFSBN-NHCUHLMSSA-N 400.523 1.761 30 10 HDEE CS(=O)(=O)c1cccc([C@@H](NC(=O)NCC#CCO)c2ccc(F)c(F)c2)c1 1313191464 QSEARWYMMIVEOO-GOSISDBHSA-N 408.426 1.753 30 10 HDEE COCCCN(C)CCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1316029644 AIJHROYFXZSGDN-FQEVSTJZSA-N 401.490 1.674 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1355355186 XYPVSDNNCDXLEH-SFHVURJKSA-N 403.479 1.459 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1358881596 JHKKNFYSBLKCBQ-INIZCTEOSA-N 414.535 1.946 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1358904250 ALMASSWSTVLUKG-HNNXBMFYSA-N 424.571 1.139 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1358912078 IQXVJPXNLOKYEL-ZACQAIPSSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1358955179 GELARUIJFZIAAK-INIZCTEOSA-N 418.519 1.791 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358962305 NNOCLBMYLGYRJK-CQSZACIVSA-N 406.537 1.381 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358963280 FKZGMGXTZREUAU-DLBZAZTESA-N 418.519 1.667 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC2(O)CCOCC2)CC1 1359043053 FJHJQENIYBYBLW-UHFFFAOYSA-N 423.517 1.452 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359286786 RSLGROWEXDJQBI-AWEZNQCLSA-N 400.483 1.885 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)N(C)C)C1 1359317321 GPBINFAKPHCXQR-QGZVFWFLSA-N 419.551 1.926 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359326471 AXUPITUVFHGQEQ-KGLIPLIRSA-N 404.558 1.016 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359341932 LABVPGHSENEYLF-GJZGRUSLSA-N 402.586 1.961 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1359465437 CDZHDHSVFBYMKX-OAHLLOKOSA-N 407.482 1.641 30 10 HDEE C#CCN(C(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 1359871245 KEKAUAJMNZOGOO-JTQLQIEISA-N 424.327 1.659 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@H]1CCOC1 1360206847 JUHKECVXJDCINI-DNVCBOLYSA-N 408.478 1.301 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1360466773 IBNFVVAGOZBNAL-CQSZACIVSA-N 405.503 1.777 30 10 HDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1cnn(CCC#N)c1C 1434914268 UNXBFOYLRSWNFY-UHFFFAOYSA-N 410.478 1.754 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3c2ccc(F)c3Br)C1=O 1436332288 YIYCBCHUKSEDDF-GFCCVEGCSA-N 424.226 1.669 30 10 HDEE CN(C)CCNC(=O)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1444931939 RHGPZFVXBRRTHS-KRWDZBQOSA-N 423.558 1.490 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1453594194 HCWAUWFGSFYTPH-JOCHJYFZSA-N 417.506 1.458 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])cn1 1464042219 LLUKGONBYDKJAA-UHFFFAOYSA-N 417.216 1.805 30 10 HDEE COC(=O)c1ccc(OCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1465009795 HQNWPEGQHALOFF-UHFFFAOYSA-N 420.418 1.718 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 1466320131 QIDZSZDYFCAOEN-UHFFFAOYSA-N 422.507 1.690 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1S(C)(=O)=O 1466852576 CDYYOAOOGGOPSW-UHFFFAOYSA-N 415.475 1.719 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 1467503755 LISNDBDTMSVUQZ-CXAGYDPISA-N 410.467 1.420 30 10 HDEE C#CCOCCNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1469535340 YJRDMTIDJVCHRF-MRXNPFEDSA-N 410.515 1.231 30 10 HDEE C[C@H](Oc1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360295 FYBNIFUVBVOYCO-JTQLQIEISA-N 407.224 1.167 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1OCCc2sccc21 1470390677 JVJMENWBVNAUPB-MEBBXXQBSA-N 401.448 1.151 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccnc3c(Br)cccc23)CC1 1474682134 SDRGYCNEYWEYSP-UHFFFAOYSA-N 423.336 1.583 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1478553059 SHVBOYXPIFXNBM-RBUKOAKNSA-N 422.551 1.329 30 10 HDEE C[C@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1nnc(O)n1C 1479375419 IDKYOEODZHFHPO-ZDUSSCGKSA-N 406.450 1.533 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H](C)O1 1499781143 DJVCFXYDWZQVNV-QAPCUYQASA-N 422.493 1.909 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSCC1 1505144719 VHWZSCOJYQDPBE-UHFFFAOYSA-N 406.537 1.309 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cc(CO)nn1 1507609820 GKGBDTRAKZRTOJ-UHFFFAOYSA-N 411.466 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@](C)(CC)O1 1507660112 MERCFQZPNBNNSY-ZWOKBUDYSA-N 421.567 1.699 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1507664110 GZTFUCPSMLGVGB-GAJHUEQPSA-N 424.501 1.965 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCO[C@@H]2CCOC2)CC1 1507742975 UHQZLVMZLCJMQU-LJQANCHMSA-N 417.554 1.638 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507757222 VSCCQKJRUOQLSH-MRXNPFEDSA-N 422.551 1.998 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1507959469 CTARNQULOJGBEI-UHFFFAOYSA-N 405.524 1.946 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1508062185 UMANQQPWKCLAEE-LBPRGKRZSA-N 400.405 1.091 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC(N)=O 1508154585 BPYYMFLDUHFFIH-LBPRGKRZSA-N 406.512 1.625 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccsc1 1510188005 BWNXKKIWRUUXQT-MLGOLLRUSA-N 412.516 1.634 30 10 HDEE CCc1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1513805416 LEJAFJYWGAQYBW-WUKNDPDISA-N 401.496 1.502 30 10 HDEE N#Cc1ccc(OCC(=O)Nc2[nH]nnc2C(=O)N2CCCC2)cc1Br 1526929043 FLCHIWZBOXSICI-UHFFFAOYSA-N 419.239 1.692 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 1529086395 CVMNTXCZGCSOEG-AWEZNQCLSA-N 423.922 1.896 30 10 HDEE CSc1nc(O)c(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)cc1C#N 1533200522 UWKWLBNKNQSUII-UHFFFAOYSA-N 410.496 1.994 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1538983803 XUOGRCGEWOKVCZ-SZNDQCEHSA-N 416.478 1.580 30 10 HDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539124417 FYFXEJFWRSYWFR-UHFFFAOYSA-N 402.543 1.854 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCOCC1 1539332103 GCDGENGCVIFJDU-HXUWFJFHSA-N 406.534 1.695 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@H]1C 1539337116 DUYPHNUWTNRTRB-NTLWEQJWSA-N 402.495 1.005 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-n3cccn3)cc2)CC1 1539470219 ZJQZFSYMKJJOFO-UHFFFAOYSA-N 403.490 1.786 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1539538517 JQHLWPNLRDAKDS-TXPKVOOTSA-N 421.567 1.697 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1540058136 AEHIARCSUBOYGS-UHFFFAOYSA-N 405.480 1.332 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2C[C@H](F)C2)C1 1540883763 DWXBSCFDVZTYRE-YHUYYLMFSA-N 415.535 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1540901748 NSWAYNULBNWQDR-MRXNPFEDSA-N 409.556 1.641 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1540930163 SUKQSVRCSSNIHN-UHFFFAOYSA-N 413.927 1.634 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1541106372 VRIYDPPCSFRGGK-LBPRGKRZSA-N 418.303 1.934 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc2nc(O)oc2c1 1543385930 GGPJKLMRDAMRHE-SNVBAGLBSA-N 400.416 1.449 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)[C@@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1546110234 UHDYIKKEVOJYEK-YJBOKZPZSA-N 401.488 1.691 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1(C)C 1555187237 OMFWRLSYGSMTSC-KRWDZBQOSA-N 422.493 1.767 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1556317909 QUDAFSXHZWAMNN-UHFFFAOYSA-N 418.425 1.972 30 10 HDEE CCOC(=O)[C@@H](F)C1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556778208 XNHUIKHICHPLMC-WBVHZDCISA-N 416.409 1.123 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 1557252802 WIIQGFFYVQHGAH-GXTWGEPZSA-N 405.398 1.453 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1C[C@H](O)[C@H](O)C1 1558438498 VVIAUUCRLRWNIO-NRSFXHEJSA-N 401.463 1.393 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(N[C@@H]2CCOC2)C1 1558548394 BOOFVEHDGYJRSU-CYBMUJFWSA-N 424.295 1.688 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CN(C(=O)OCC)C[C@H]3CO)n[nH]2)c1C 1558734109 JLNVWUBRNSAYTJ-WMLDXEAASA-N 416.482 1.255 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1561671339 AYLRGHHGOUZMSL-CQSZACIVSA-N 421.500 1.524 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 1563679827 XBZRQUVZLZRQPZ-FHWLQOOXSA-N 417.506 1.751 30 10 HDEE C#CCC1(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCC1 1564891291 OKBRGIBHKWLOIV-UHFFFAOYSA-N 405.476 1.076 30 10 HDEE C=CC1(CC(=O)N(CCC(=O)OC)CC(OC)OC)CN(C(=O)OC(C)(C)C)C1 1567464707 DPQAXGGLDIPCEW-UHFFFAOYSA-N 414.499 1.810 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1)C(=O)OC(C)(C)C 1569764143 BKUJXCUPDPUFJQ-UHFFFAOYSA-N 402.451 1.101 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN=S3(=O)CCCC3)ccc2c1=O 1583039339 YSYQLWHJYCFQPV-UHFFFAOYSA-N 406.533 1.863 30 10 HDEE CC(C)(CCN1CCOCC1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1585292745 WPQFUZIXFJJFNF-UHFFFAOYSA-N 408.524 1.109 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@H](CN3CCOCC3)C2)cc1OC 1586248560 NEMDLGUALZQMOI-WPGJWXSHSA-N 402.491 1.833 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCCN2CCC[C@@H]2CO)c1 1587689912 SOABNAWGWLYKJF-OAQYLSRUSA-N 424.549 1.880 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588059793 VHPQRXXJVDCVLJ-UZLBHIALSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cccc(OC)c1 1588140044 SNFNAKPGYKAUII-GOSISDBHSA-N 407.474 1.293 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCO[C@@H]1C 1589615028 ITPLJOSCTCVTCO-IIBYNOLFSA-N 424.509 1.863 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1593752365 HNRFCBADZGYEIH-GOSISDBHSA-N 411.510 1.413 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1594566396 GXQFSKQEBSNPCJ-MAUKXSAKSA-N 413.544 1.240 30 10 HDEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594766624 ASAKQLLRQXPPEV-GOSISDBHSA-N 415.494 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CCOC)CC1 1595507193 ZFUHBRHJRNANSC-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1595926812 BPKGVDQRLJRNQB-KHPPLWFESA-N 413.499 1.730 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CC[C@H](C(F)(F)F)O3)C2=O)cc1 1597562955 KTFADMXKHRUPAE-RBSFLKMASA-N 424.379 1.989 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C[C@H]2CCCN12 1614671361 SXRFPUQFPXRZQZ-MOPGFXCFSA-N 400.328 1.807 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1620026286 XASYGGBRXVLLHH-IKGGRYGDSA-N 421.498 1.274 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1620354765 CLWKSQMKHCRPQR-MOPGFXCFSA-N 411.510 1.306 30 10 HDEE CS(=O)(=O)c1ccc([C@@H](O)CN2CCN(c3ccc(F)cc3C#N)CC2)cc1 1620507226 DNBYFFKHAFTEEF-FQEVSTJZSA-N 403.479 1.956 30 10 HDEE O[C@H](CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCOCC1 1620633643 WZVNIBQTBTUXFK-KXUCPTDWSA-N 413.305 1.992 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2C)CC1 1622897818 PJEGKNRTXGQNRZ-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1627356544 ALRGWZOQYCHJQJ-GOSISDBHSA-N 406.504 1.588 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)OCC1CC1 1627492293 FNSYEBOARFLCBE-UHFFFAOYSA-N 407.492 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1628385797 FAXLEBCAURJYSE-PLOGBLAWSA-N 410.446 1.224 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC[S@](C)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1628486964 WFTZDHBSUMVANJ-LJAQVGFWSA-N 420.384 1.431 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1630127633 KMBCOHQTKRKIIT-JGFGOQIWSA-N 417.307 1.882 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N(C)CCCO)CC2)s1 1631969699 MWXIRIPXZORSFG-UHFFFAOYSA-N 415.581 1.060 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1633578644 VIBIFSDNVAWXEQ-QGZVFWFLSA-N 410.559 1.906 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)ccc12 1633982901 WMNPCBADTQWFAU-UHFFFAOYSA-N 416.503 1.743 30 10 HDEE N#CCNC(=O)CNC(=O)c1cc(S(=O)(=O)Nc2ccccc2)ccc1Cl 1636040622 ONFKFGWJCNDFDC-UHFFFAOYSA-N 406.851 1.510 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1636327967 SZJWRWJNRPKNQC-BBRMVZONSA-N 412.468 1.106 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 1637389528 IQBYNFWPIRIILF-NPJQDHAYSA-N 401.429 1.856 30 10 HDEE C=CCCC[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1638395140 NPPIWLBMMHVBSB-OAHLLOKOSA-N 402.900 1.975 30 10 HDEE C#CCN(CC(=O)N1CCOc2ccccc2[C@@H]1C(=O)OC)C(=O)OC(C)(C)C 1639895972 FJKWYYZRQIBQGN-GOSISDBHSA-N 402.447 1.992 30 10 HDEE CSCC[C@@H](C(=O)NCc1ccnc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1640009900 VTVJLMOIVWQIKJ-BBWFWOEESA-N 400.504 1.866 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H]2C[C@@H](N(C)C)CC[C@H]2C1 1640537087 GRFZELUOMZNYQX-OWLYRPNTSA-N 404.536 1.414 30 10 HDEE CC1(C(=O)N2C[C@H]3C(=O)NC(=O)[C@H]3C2)CCN(c2ccc(Cl)cc2C#N)CC1 1641114548 MBCLNPMWWBEWSN-GASCZTMLSA-N 400.866 1.549 30 10 HDEE CN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@@H]1C#N 1642535827 BOYSSCHJWPJIEA-GDBMZVCRSA-N 407.492 1.667 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2cnn(C)c2)C3)cc1 1644389290 QRBMKMCOEBKMCW-OALUTQOASA-N 412.515 1.882 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1644828602 SDTXBSRVSFUUSO-UHFFFAOYSA-N 401.492 1.659 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1644943389 WTYYUHPNBPCXQF-UHFFFAOYSA-N 417.325 1.657 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)CC(C)(C)O)nnc12 1648791783 GYJIIKCVLWMHFK-ZDUSSCGKSA-N 415.519 1.988 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1655061530 SOBSAHIXKHYGFI-LJQANCHMSA-N 412.408 1.827 30 10 HDEE C#CC[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1655563112 XXXTZFAELJMHMT-IAGOWNOFSA-N 405.520 1.380 30 10 HDEE CCc1nnc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c(C#N)c1CC 1655644082 HKBRNALTAYAIDW-UHFFFAOYSA-N 414.535 1.630 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](c2ccc(F)cc2F)c2nccn2C)CC1 1676637753 RKGULLOWYCDWOP-GOSISDBHSA-N 415.444 1.959 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 1681187712 FJJHQBNBMQTFDE-OAGGEKHMSA-N 403.483 1.869 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1683130306 ISXVBQVMJNQGQU-AWEZNQCLSA-N 406.487 1.298 30 10 HDEE CCN(OC)C(=O)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1683562872 FIOZGAXOUPGBEJ-UHFFFAOYSA-N 413.482 1.276 30 10 HDEE C#C[C@@H](CCC)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683684685 DERULSWUSJOBCU-LSDHHAIUSA-N 401.529 1.512 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 1684134892 CHUDSCHVYQEMGW-IRXDYDNUSA-N 407.511 1.883 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1684965613 UKPGWKRGQYSOQL-QAQDUYKDSA-N 408.524 1.889 30 10 HDEE COC(=O)[C@H]1CN(C(=O)NCC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1686827515 CCWILLXIXGLMDB-CQSZACIVSA-N 406.483 1.732 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(CC(C)C)CCO1 1689861257 RGLVUEUQKNZMOY-QZTJIDSGSA-N 402.543 1.215 30 10 HDEE C#CCN(c1nnc(CCOc2ccccc2)n1CCC)[C@H]1CCS(=O)(=O)C1 1689994099 RDEULVKZTODTHN-KRWDZBQOSA-N 402.520 1.936 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690120089 GAJIMTSLDVMWEG-LJQANCHMSA-N 410.570 1.054 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1690130814 NBHNVROZLGVNHX-QHCPKHFHSA-N 409.534 1.360 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](CC)C1 1690676871 GZTOBYRORDBIFM-INIZCTEOSA-N 415.494 1.783 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cccn1 1696298693 JBORGGGGDSOKTC-UHFFFAOYSA-N 408.466 1.636 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1705493574 KYASFQANNWKNFJ-AEFFLSMTSA-N 408.506 1.572 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705556591 DXMPDDDUDBUYOT-HNNXBMFYSA-N 421.498 1.347 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1705574726 LSNQWNGFQZBJKM-NRFANRHFSA-N 415.494 1.234 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCS(=O)(=O)N1CCSCC1 1705597124 WWPGLTRYRGEPDT-UHFFFAOYSA-N 421.592 1.387 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCOCC1 1705630762 FWEDSEZKYLFTCQ-UHFFFAOYSA-N 418.469 1.624 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2CCCC[C@@H]2C1 1705686346 WMGOQQQHMFCOOE-KGLIPLIRSA-N 409.332 1.812 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1705706195 QREYHIWDEGAAAY-YRNRMSPPSA-N 416.526 1.049 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1705852790 FDTHVJSUCAMYOE-CQSZACIVSA-N 403.512 1.171 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1705886038 MXWBOIMVPGHBCK-MRXNPFEDSA-N 400.527 1.735 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1705893959 WYEHDMDNOPUVDB-WIYYLYMNSA-N 416.526 1.835 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N2CCOCC2)C1 1705923236 BQLJXHFSCRWPTL-QGZVFWFLSA-N 405.543 1.897 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1706204325 FDGGRBGOFOJDHZ-OAHLLOKOSA-N 412.450 1.140 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)C1 1706935820 ZHARKJRDDFZXLC-TXPKVOOTSA-N 405.524 1.655 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](CC(C)C)N(C)C 1712647809 KTGDYSIGXUXYPP-RDGPPVDQSA-N 420.558 1.707 30 10 HDEE O=C(N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CC#Cc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1719852831 WOLLECFHJSEINU-IKHCIZMXSA-N 408.498 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722276473 HNXBRYBQTUENJA-CQSZACIVSA-N 418.519 1.997 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1722299574 IXNBZMYXNPXLJO-HZPDHXFCSA-N 402.520 1.770 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1722316658 KWUKBHQFGVQVOV-ROUUACIJSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(=C)C 1722429442 RCMRIBDLVXGPOC-KURKYZTESA-N 422.551 1.247 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCC2)CC1 1722450046 VEIIOVRLBAPMMX-UHFFFAOYSA-N 421.545 1.944 30 10 HDEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCS(=O)(=O)NC)CC1 1722568222 DMQBJKJBOFLBIN-UHFFFAOYSA-N 405.524 1.871 30 10 HDEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722609985 JOWKPHJJLCRIKD-MRXNPFEDSA-N 414.897 1.712 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1722631489 OKLZJPDSLURYGO-ZDUSSCGKSA-N 409.512 1.576 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1722868705 DFSZGURVQYRNDK-CQSZACIVSA-N 405.503 1.521 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCC(=O)NC(C)(C)C 1730762777 LYVFQMYBADDWPZ-INIZCTEOSA-N 406.531 1.843 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1730878866 XDSNCGOJOZTPJI-ZBFHGGJFSA-N 415.450 1.508 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1731187855 ASOONMFKIBFIRH-INIZCTEOSA-N 400.508 1.905 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740571952 WSXVHECMNBAVRV-HKUYNNGSSA-N 414.554 1.722 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740634829 GKOMFHNUEFRQHF-IBGZPJMESA-N 416.460 1.896 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1740657275 WQFGXKLEJXOYFZ-GOSISDBHSA-N 404.536 1.460 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCO1 1740681858 XAVZTQIOKDIZMI-GOSISDBHSA-N 408.466 1.186 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)cc2F)CC1 1740689461 WZTBVPIVSFCONZ-UHFFFAOYSA-N 414.485 1.368 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740784220 OPUMJJKERONFBL-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCNS(C)(=O)=O)CC1 1740821464 JXYOLXSIFOOHSD-UHFFFAOYSA-N 419.507 1.422 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740891162 UCTOWYQUNJPQMS-PBHICJAKSA-N 424.546 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1740957233 GRZHQPWEFMWVPJ-UHFFFAOYSA-N 424.509 1.019 30 10 HDEE CC(C)c1nnc(N2CC[C@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741357302 WLJZVCWWINJFIS-GAJRUTHPSA-N 414.510 1.935 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCCO)CCOC1 1741724992 VJTPNDBYPFRFRU-OALUTQOASA-N 411.478 1.160 30 10 HDEE CC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1745019488 HFTYJWAFQOHJHM-LXXYJFLHSA-N 400.483 1.686 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C[C@H]1C 1746372778 DNHDWHGKXQLJHD-HUUCEWRRSA-N 406.498 1.307 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1748646757 DHRBVYDYJYTTBU-DNVCBOLYSA-N 412.556 1.601 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1748752035 QQOLDBCAGTUELT-ZDUSSCGKSA-N 410.931 1.617 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1748783427 MCICLPZTLJOEFK-UHFFFAOYSA-N 418.549 1.938 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1748785294 QRNZBXFFJXVECP-MRXNPFEDSA-N 414.510 1.312 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ncnn2C(C)(C)C)CC1 1748993588 DKCGYTUTFAKZEA-UHFFFAOYSA-N 419.537 1.414 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749232916 XJODIOZBNQJCKU-MJGOQNOKSA-N 410.522 1.819 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1749678741 BKMWPESLOVXWQY-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 1749704986 DTERPTVJFDMJDL-MRXNPFEDSA-N 417.514 1.985 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(C)cn2)C1 1749721455 KIYRZMKVICGDKQ-OTWHNJEPSA-N 416.526 1.989 30 10 HDEE CSCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1750318506 OVVALCWHDGDYGZ-XJKSGUPXSA-N 401.533 1.765 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760161637 MIDMMDYSVSCASA-NCOADZHNSA-N 412.556 1.673 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCC1 1760205952 NVNBRAKVNRLHHY-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1760234585 YQXQCSOMHWRBOM-KRWDZBQOSA-N 405.568 1.514 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOCc2ccccc2)CC1 1760251677 GKEPAYJSGLMDJU-UHFFFAOYSA-N 410.522 1.388 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C/C=C/CC)CC1 1760266172 RGEUNZIEBIHQAZ-DORXLWPQSA-N 415.538 1.862 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760274274 HXBVZIPPNPSDNB-INIZCTEOSA-N 404.584 1.559 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1760322623 VLRHYIIIJBFCPA-BQFCYCMXSA-N 405.543 1.799 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)NC)CC1 1760434851 OSGLEZGGHUUIJJ-UHFFFAOYSA-N 422.497 1.348 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1)C1CC1 1760471442 WAXNKJMECIALIS-NRFANRHFSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](c2ccco2)C1 1760514686 KYZSBDFTDWJOKM-OAHLLOKOSA-N 421.461 1.815 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)c2ccccc2C1 1760523831 IXWXBPZHUCLGHK-SFHVURJKSA-N 410.522 1.931 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760525758 QEKAGYBCXYQFPF-AWEZNQCLSA-N 402.524 1.290 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3c(ccnc3O)C2)n1Cc1ccc(C#N)o1 1761222448 LRXSKUKWTOMTQE-UHFFFAOYSA-N 407.434 1.593 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1761544555 GWBBWJZHRBKNFO-FXAWDEMLSA-N 414.535 1.829 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCOCC2)cs1 1762263539 YGHVFCXBXWWPCK-ZDUSSCGKSA-N 417.539 1.512 30 10 HDEE CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1764290297 XORRFEFVFFNPJM-VJANTYMQSA-N 418.542 1.605 30 10 HDEE CCCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1766240589 HNOMQEHISRJIMH-QGZVFWFLSA-N 414.466 1.217 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF 1768947450 COHPAJOBHXSXLX-GOEBONIOSA-N 422.486 1.245 30 10 HDEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C1CC1 1769679560 AZXRVEQJKGSQOD-SFHVURJKSA-N 410.478 1.480 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCOCC2)CCO1 1770747037 DXYJOBOPONLASY-ZWKOTPCHSA-N 404.515 1.361 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCCO[C@H]2CCOC2)CCO1 1771536796 BZTNQWKVULBKBV-ROUUACIJSA-N 415.469 1.932 30 10 HDEE C[C@@H]1C[C@@H]2[C@@H]3CC(=O)C4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 1775963342 NBDQTCDZBJJKSK-QYTQNGKLSA-N 406.450 1.075 30 10 HDEE C=CC(C)(C)NC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850669712 PTGOMEZBKGBQBB-UHFFFAOYSA-N 404.492 1.044 30 10 HDEE CN1CCN(c2nc(Br)ccc2NC(=O)c2cnc(C#N)nc2)CC1 1850896709 IFCBRGLZWRGIMD-UHFFFAOYSA-N 402.256 1.510 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OC[C@@H]2CNC(=O)CO2)CC1 1851008405 ATMCLOAIZZINEL-INIZCTEOSA-N 412.421 1.520 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCN(c4ncc(F)cn4)C(=O)C3)CC2)cc1 1851731380 KNHCJJRMKNKTMU-UHFFFAOYSA-N 408.437 1.579 30 10 HDEE Cc1ncn(CC(=O)N2CCN([C@@H](C)CCC#N)C3(CCCCC3)C2=O)c(=O)c1C 1854503446 ZWVVNFWJWILZMC-INIZCTEOSA-N 413.522 1.926 30 10 HDEE CC1(C)C(=O)N(C(=O)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854524807 SWWJUTMCRGQMBI-UHFFFAOYSA-N 403.382 1.649 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2cccnc2)CCN1CCOc1ccc(C#N)cc1 1854551191 ZGQBQBOCXDYOMP-UHFFFAOYSA-N 408.458 1.860 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3cncnc3)C2=O)CC1 1854865366 GMJSQVLNITUZAM-GOSISDBHSA-N 406.446 1.275 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855321953 PJSVWRHSMBUBPD-RHSMWYFYSA-N 402.428 1.873 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(Cc3nccn3CC)c3ccccc32)CC1=O 1855777376 ZBTDARNABPHEHP-MRXNPFEDSA-N 407.474 1.817 30 10 HDEE Cn1cc(CC(=O)N2C[C@@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)cn1 1855842495 GETUAOGHBHZWSW-LJQANCHMSA-N 405.502 1.895 30 10 HDEE CC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855845710 ZFHGELLGISEHOG-NVXWUHKLSA-N 418.519 1.038 30 10 HDEE CON(C)C(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1855872373 DPJSUKNOQWZNNE-KRWDZBQOSA-N 412.490 1.669 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1Cc2ccccc21 1855961720 SICFSCBOUWPRPN-GOSISDBHSA-N 409.467 1.976 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cncc(F)c4)C(=O)C3)C2)s1 1856309925 VEKOTMIBMRSPSB-MRXNPFEDSA-N 413.478 1.713 30 10 HDEE CCCc1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)no1 1856410705 NDRFYHUIYHSLLC-AWEZNQCLSA-N 409.446 1.646 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cnn4ccccc34)C2=O)C1 1857114325 LCWYPIPOPOOYIT-SFHVURJKSA-N 402.414 1.105 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@@H]4[C@H](C3)C4(F)F)ccc21 1857461359 QWNXBOIUUJRHIY-KGLIPLIRSA-N 409.414 1.682 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OCC)s2)c(=O)cc1C(=O)O 1857890461 XOHGTCHLWIIFNQ-UHFFFAOYSA-N 421.431 1.692 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(C(C)(C)C)c2)[nH]1 1871639836 IYBGKQVVIGFXGY-UHFFFAOYSA-N 411.554 1.469 30 10 HDEE Cc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874338843 ZNIXQIGGUZPNJF-MNPVBQOISA-N 400.508 1.770 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874341487 LAKCCIKCMUIOKW-DGURAOSJSA-N 419.507 1.770 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(Br)cnc1Br 1890694310 QBWRBZMWECBNOM-UHFFFAOYSA-N 417.101 1.672 30 10 HDEE C#CCOC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1891618300 HGUCZWGSVVRRQX-MRXNPFEDSA-N 408.495 1.867 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985101592 UZORZBUIWNVXLU-NYTXWWLZSA-N 410.320 1.813 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1ccc(C#N)c[nH]1 2046023961 WPSYHBUGIDBPGC-SFHVURJKSA-N 402.407 1.141 30 10 HDEE COC(=O)C1(C(=O)N[C@H](CCS)C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2180703947 YOZYMSPVPANWHQ-LLVKDONJSA-N 404.485 1.066 30 10 HDEE C[C@@H](NS(=O)(=O)C1CCOCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186632979 YMSVSPRUXOISJS-LLVKDONJSA-N 402.347 1.602 30 10 HDEE C[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247819428 GPORNDQTSONUMB-GFCCVEGCSA-N 420.319 1.694 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2247823443 OZAPZGURURICEH-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247823962 SQNUGTVIWPAHSP-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C[C@@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247834462 WFGRZSFHDVJUBV-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(CO1)C2 2248433402 KHHZZBLZIRZGCZ-UHFFFAOYSA-N 420.315 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)NCC#CBr)C2)CC1 2249827144 FTCOPQWNONAXHX-UHFFFAOYSA-N 400.317 1.790 30 10 HDEE C#CCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258164274 PJIYMJAHTRAXJX-QGZVFWFLSA-N 410.492 1.567 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[S@@](C)=O 2267371621 CSJZNWMNAPWSAN-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCS(N)(=O)=O)sc2Cl)OC1(C)C 2267546389 WBBXMBAHJZETCQ-UHFFFAOYSA-N 408.738 1.109 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CSC[C@H]2C(=O)O)OC1(C)C 2269040084 XTEYSEWPCUNDKK-JTQLQIEISA-N 405.328 1.196 30 10 HDEE C[C@@H](CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2281831243 VTLRUSNAYDTSGZ-JTQLQIEISA-N 402.709 1.046 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccsc1Cl 2282300051 ZZDPJVVBUYOVQC-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1[C@H](C)O 2282322091 GGUBERQOUIEWSG-WCQYABFASA-N 401.359 1.890 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2282329237 KCLGFFJFCYYRFM-ZDUSSCGKSA-N 403.331 1.083 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CCNCC1 2282341294 QCCYETDZJJLEBU-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE COC(=O)CCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346116 LRAHVJCEKVCDOR-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282419264 NYXNMOGBTBHVIE-QWHCGFSZSA-N 403.331 1.130 30 10 HDEE CN([C@@H]1CC[C@H]1N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282496325 YTNDPDSXWRKXQC-ZIAGYGMSSA-N 400.737 1.749 30 10 HDEE CC[C@](C)(CN)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506493 STQUGHHBWFGQAZ-QGZVFWFLSA-N 402.391 1.936 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCC[C@@H]2N)OC1(C)C 2282842653 AYEUISCVYXJSSS-RYUDHWBXSA-N 401.363 1.132 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)[C@@H]1O 2282850361 OCLSQSGFCZTVME-JYAVWHMHSA-N 401.359 1.685 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@](C)(N)C3CCC3)s2)OC1(C)C 2282859778 QNFANQJXIRZKTJ-QGZVFWFLSA-N 400.375 1.843 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282869960 KUFBWAHAMBRBCB-JOCQHMNTSA-N 401.359 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC(F)(F)C[C@H]1C#N 2286067911 NWOIONNNFRYACG-NEPJUHHUSA-N 407.439 1.170 30 10 HDEE C[C@@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl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c2ccc(C(=O)OCC(=O)N3CCC(C(=O)OC)CC3)cc2C1=O 4789470 TVMFWYHKDXZQHB-UHFFFAOYSA-N 414.414 1.037 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C 6030555 MPKJVOULXZBGDT-ATNJLCLCSA-N 406.475 1.822 30 10 HDEE in-vitro CC(C)[C@](C)(C#N)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9362670 ZHDRNWPGVMZMIO-FQEVSTJZSA-N 421.519 1.685 30 10 HDEE Cc1cc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2ccccc2)c(C)n1C 22694528 PGIBVPSWAJMXIX-UHFFFAOYSA-O 401.556 1.790 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c2C)nn1 23571272 HEIFFGBJKXJRCD-LJQANCHMSA-N 400.439 1.581 30 10 HDEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sccc2c1=O 42183896 MSVFFJFEPWEBFE-NSHDSACASA-N 406.533 1.862 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472633 FZAZLRQJFFAXBT-CZUORRHYSA-N 419.397 1.970 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96395179 UXAPCOKUNMQSMJ-ZDUSSCGKSA-N 419.405 1.692 30 10 HDEE Cn1c(N/N=C\c2ccc(O)cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 102629621 RSJMMVQXSLKXJP-UUYOSTAYSA-N 404.430 1.634 30 10 HDEE CNC(=O)c1c(O)n(N=Cc2ccc(OC)cc2)n[n+]1CC(=O)c1ccc(C)cc1 254874205 LOFLPSYHBOVAEO-UHFFFAOYSA-O 408.438 1.318 30 10 HDEE C[C@H](C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)n1cnc(C#N)n1 409653118 PKADJRWMDLGAKR-OAHLLOKOSA-N 403.446 1.841 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 410188176 KSPMVHGMGZHBBZ-QZTJIDSGSA-N 408.524 1.434 30 10 HDEE COCCn1c(NC(=O)c2cc(C#N)cn2C)c(NCc2ccccc2)c(O)nc1=O 433941152 OXJMUGDWIINUJP-UHFFFAOYSA-N 422.445 1.670 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)cn1 462093876 SUGKLYPCGKQJDA-ZDUSSCGKSA-N 407.356 1.814 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN(c3nccn(C)c3=O)CC2)c(OC)c1 465031196 FSJRKOIQRMTFQG-GOSISDBHSA-N 414.506 1.079 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4ccsc4)C3)CC2)o1 468115927 BMPMMJRDEGIQAU-KRWDZBQOSA-N 401.492 1.638 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc3n[nH]cc3c2)CC1 474206742 AAUNEGIKEDXUNL-UHFFFAOYSA-N 409.471 1.510 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476221568 KCXIIKDMLFFYJE-IBGZPJMESA-N 400.479 1.496 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CCN(Cc2ccccc2)CC1 479270689 FEMJOYKVUXHEEH-FMWKFLBASA-N 418.497 1.468 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2ccsc2)C1 482806169 ZGGJECBPZZDODP-CXAGYDPISA-N 405.501 1.887 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503402124 GNTYJNZWOFARCT-VGOFRKELSA-N 415.538 1.970 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1C 507513620 WXRQRMYCLBINAU-UHFFFAOYSA-N 402.476 1.488 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1 507822154 CFNAVKRXZIAKPF-UHFFFAOYSA-N 423.535 1.736 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508638203 NXYFUHOKAMBYJK-DOTOQJQBSA-N 404.492 1.130 30 10 HDEE Cc1cc(NC(=O)C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)n(CCC#N)n1 526382948 OHMIUBSNEOMFCR-MRXNPFEDSA-N 412.425 1.447 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3ccccn3)cc21 526898665 SUJAZZSYOCBTHO-LJAQVGFWSA-N 413.455 1.563 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 532894545 IAILIPSCTQFWLO-QGZVFWFLSA-N 415.563 1.797 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](CO)c2cccc(Br)c2)CC1 541985401 WGMROZQQLPMIKJ-ZWKOTPCHSA-N 423.355 1.764 30 10 HDEE Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 546176796 HDOYOWAPQHGWEQ-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 546219855 MCAFKXXLQNYMIX-APWZRJJASA-N 404.474 1.979 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCCN2CCCC2=O)CC1 555586038 PWNXUJWBAGDMKW-UHFFFAOYSA-N 406.490 1.951 30 10 HDEE COC[C@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 575079724 LPKUTTFDMHQVSZ-PMACEKPBSA-N 420.469 1.279 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCc2ccc(C#N)c(OC)c2)cn1 583854355 MUKZJAOCMGWALT-HPGBDJQBSA-N 401.492 1.798 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)O[C@H](C)CC)nc1C 586300867 BOZJBFFFNZQHOG-AFNXNYLOSA-N 402.494 1.823 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCC(C)C)nc1C 586300994 DIDKMOWVGMGJND-SANMLTNESA-N 402.494 1.681 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 609537608 BXLSCDJMYDMETG-OAQYLSRUSA-N 411.550 1.573 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)/C(=C\c2ccco2)NC(=O)c2ccccc2)CC1 732953181 AOGLVFOLOFJOSY-CAPFRKAQSA-N 422.485 1.497 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1C 734569817 LLBYPGZCRZBWGQ-LJQANCHMSA-N 415.471 1.565 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1F 735080096 FCOCVFXPCSWUQB-BUHFOSPRSA-N 407.345 1.649 30 10 HDEE CC(C)CNC(=O)N1CCC[C@H](CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 741430551 HCSMYRDGHPWLHQ-GOSISDBHSA-N 420.535 1.972 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccnc(C#N)c2)[C@H](C)O)cc1C 746954816 RSGWCWKFZDWTAO-KSSFIOAISA-N 403.460 1.341 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 748419704 LTDYDPQMLTYNDV-UHFFFAOYSA-N 401.444 1.030 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755189942 MKEZRCIGFPAASE-VBKZILBWSA-N 424.498 1.100 30 10 HDEE Cn1nnc2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)cc21 755583043 RTQSKURCDQPKTI-UHFFFAOYSA-N 409.349 1.977 30 10 HDEE CN(c1nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)cs1)C1CC1 758403462 YLVDUJSHNJNVIK-UHFFFAOYSA-N 406.489 1.635 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1 758662053 JUVXNIFCFVBAFG-HJWRWDBZSA-N 424.545 1.385 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)cc1 763610235 GTCQZWKTASDTMS-OAHLLOKOSA-N 424.482 1.127 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)C2CN(C(=O)OC(C)(C)C)C2)c1 764384278 ISPLMDYWMAPJJR-UHFFFAOYSA-N 421.519 1.680 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2Cl)N(CCc2nnnn2C)C1=O 771545978 VWYAZDUCCOMGFM-LBPRGKRZSA-N 407.887 1.174 30 10 HDEE COc1ccc(F)cc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 777824418 FJZUSFCOQUWWNS-LBPRGKRZSA-N 405.451 1.968 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(-c2nnc(CCOC)o2)c1 778927902 VXHXUHQMXRVMMR-GFCCVEGCSA-N 402.407 1.483 30 10 HDEE CCn1c(S)nc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2c1=O 789892884 WMQZOEQVIUYQLG-UHFFFAOYSA-N 420.498 1.934 30 10 HDEE CCN(CC)[C@H](C)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 792555210 MHSYTUWZSDWNQC-NVXWUHKLSA-N 408.568 1.986 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 802562935 DQJAEXQCEJEZND-UHFFFAOYSA-N 419.507 1.515 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N(C2CCCCC2)[C@@H]2CCS(=O)(=O)C2)c1 803848120 GZMZIGAUKIRMMI-MRXNPFEDSA-N 405.476 1.458 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CO[C@@H](C)c2nccn2C)c1 808319175 OFPXYYDRIGYMGZ-KRWDZBQOSA-N 410.474 1.371 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 810516523 BHAIAWPXAMUGAS-OAHLLOKOSA-N 411.455 1.709 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccco3)n2C[C@@H]2CCOC2)CC1 812389180 DETWQXWOBACFHN-KRWDZBQOSA-N 411.506 1.659 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1132904741 YZLQYTCFCFTRQM-INIZCTEOSA-N 409.533 1.567 30 10 HDEE Cc1cc(NCCNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)n2ncnc2n1 1137124628 PZGFSAHLWGATQS-OAHLLOKOSA-N 408.441 1.498 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ncc(Br)cc3O)C2=O)cc1 1139811231 HHCWFEQAORXQSH-AWEZNQCLSA-N 415.247 1.952 30 10 HDEE COCCN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1142436010 WMTGVHLCEUSGQF-UHFFFAOYSA-N 421.339 1.938 30 10 HDEE C#CCOc1ccc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1146194320 ZKLIKDIFGYMLTM-UHFFFAOYSA-N 413.499 1.491 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCc1ccnc(N)c1 1160244755 TXNALWMFBIXEGS-AWEZNQCLSA-N 401.492 1.341 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1163599391 TVBWAHCEBZWKNI-LLVKDONJSA-N 407.215 1.752 30 10 HDEE CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC=CC1 1163849720 MQXUDQNYQHVODJ-QAPCUYQASA-N 405.520 1.695 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCNC(=O)OC(C)(C)C)CC2)C1=O 1164382286 GJLRJWHVTZIVCP-UHFFFAOYSA-N 422.482 1.117 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCC#C[Si](C)(C)C 1166057581 PKZCREYZBBCPGF-AWEZNQCLSA-N 404.605 1.702 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NOc2cccc(C#N)c2)C1 1171256601 YFOXZORYCSYUHB-OAHLLOKOSA-N 409.464 1.392 30 10 HDEE C#CCN1CCC(NC(=O)Cn2nc(Br)c(Br)n2)CC1 1178206931 COSVPORBWBQISY-UHFFFAOYSA-N 405.094 1.017 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNc3cnc(C#N)c(C#N)n3)cc2)CC1 1185211975 MCHFEYPBRPDGOF-UHFFFAOYSA-N 419.489 1.417 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1196807418 NJWZOGCACFFHLH-WMZOPIPTSA-N 421.519 1.292 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H](N2CCOCC2)C1 1211933285 CPFWEDVWDGTDDT-CYBMUJFWSA-N 414.325 1.806 30 10 HDEE C#CCN(CC#CC)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1255637086 IDZJXLDQZNLUKM-QGZVFWFLSA-N 417.506 1.987 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 1264831975 QRKOPHPXZNOHNA-RTWAWAEBSA-N 413.566 1.913 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286348839 ALWSEWRYLGPXOU-VBKZILBWSA-N 400.483 1.010 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccn(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1286384513 RBUPJJJVRGWZQO-HXUWFJFHSA-N 424.530 1.506 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286389337 IFDGEZJDXAQWIE-JKSUJKDBSA-N 419.551 1.436 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286389515 LIDLHWOBGPIHGV-QZTJIDSGSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(OC)CCCCC1)[C@H]1CCS(=O)(=O)C1 1286392064 AJJBMEBWYOTDHU-KRWDZBQOSA-N 424.567 1.791 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@H]1COCCO1 1286468869 MMXWPMFMIBTIBH-LJQANCHMSA-N 400.479 1.667 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286548698 PTNGIEALVLFYSB-CQSZACIVSA-N 421.299 1.695 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1286565518 AOZKVIYDAAZSQW-OAHLLOKOSA-N 421.571 1.800 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286788528 YCEJLJALFMXGPE-IERDGZPVSA-N 419.526 1.249 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCCCO1 1286791435 ZKTPLFFTALTMAQ-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286833359 AATVGAHQUWYQJO-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1286906112 DQNMXSQBOPHVKL-LJQANCHMSA-N 412.494 1.321 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1 1290434286 BIUPNUJBNDGOGZ-LJQANCHMSA-N 404.474 1.758 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC(=O)N1C 1291223943 PBTKKLVSJQAIJH-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE C#CCN(C(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CCS(=O)(=O)C1 1291929330 PUDMTXWNNXDHTB-VQTJNVASSA-N 400.544 1.938 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1293532861 CRFHLFIOTWOZFJ-QUCCMNQESA-N 410.445 1.658 30 10 HDEE Cc1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1298378519 JVBCTVDELMMTSO-MRXNPFEDSA-N 422.356 1.400 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@@H]43)n[nH]2)c1C 1299144992 VMCBWCVPBFOMPN-DLBZAZTESA-N 419.507 1.104 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1300267195 FZZRUGIROVLWFV-OAHLLOKOSA-N 412.469 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1300271462 HNTSLTGKRGMNOK-KKUMJFAQSA-N 403.508 1.522 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC 1300322958 WCXVOKWYKCODBE-ZDUSSCGKSA-N 409.537 1.162 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300381697 VPSZVIIKYQSLOV-SFHVURJKSA-N 421.505 1.774 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](CNC(C)=O)C1 1300382418 SRGYZGVYKJZYKU-QGZVFWFLSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1300410528 ODSRIYPKZCEXBV-ZWKOTPCHSA-N 407.584 1.762 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1300579308 SUOMPTNGDMRBSO-QGZVFWFLSA-N 413.503 1.095 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCN1CCc2sccc2C1 1300671509 KOGRRELVTJLERP-GOSISDBHSA-N 415.563 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C 1300671642 LWVLCRCUPAHIHL-MRXNPFEDSA-N 406.508 1.524 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2c[nH]nc2C)CC1 1300708943 YUAOXYWFZRQTIX-UHFFFAOYSA-N 421.553 1.559 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNC(C)=O)C1 1301566004 IPQUNIPSQBKWCT-LJQANCHMSA-N 423.521 1.824 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1303008804 AVMBWSAUXBBVDZ-ZBFHGGJFSA-N 416.869 1.518 30 10 HDEE C[C@H](Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1303729820 YCANLAVFQXGFKN-OAHLLOKOSA-N 418.505 1.749 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1303792942 RKBPYFGBXSTHHV-GHTZIAJQSA-N 401.507 1.930 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)C[C@H]1CS(=O)(=O)C2 1304270335 DZQRMHZXJNNIJY-XKGZKEIXSA-N 405.495 1.577 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)CCOC 1305464538 AUWGVCVEPQRWBK-HNNXBMFYSA-N 413.526 1.905 30 10 HDEE CC[C@@]1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1305890025 CJHWVSIGGKGWCH-KUHUBIRLSA-N 419.507 1.698 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1306546491 CFQQVHFZETWXNS-ZYSHUDEJSA-N 424.505 1.931 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1 1307721026 GNBBHIAJKSNLKE-UHFFFAOYSA-N 418.519 1.206 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cccc4c3OCCC4)C2=O)cc1 1309461453 FEHVUOHVXVDHFK-GOSISDBHSA-N 411.483 1.963 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OCC)c1 1309845440 RETVUECNUZQZBE-RDJZCZTQSA-N 410.492 1.382 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(C)C)c2C(F)F)CC1 1310501795 UEXBYRFJSHKZCO-UHFFFAOYSA-N 418.470 1.094 30 10 HDEE C=CCN(C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1310768058 VPUMCWFOBGVRLA-CYBMUJFWSA-N 417.509 1.274 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(C)c2)C(C)(C)C)CC1 1311649305 QFPTYUDIEIHPHM-SFHVURJKSA-N 406.552 1.877 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358966674 UAZCTGNVXPDTBV-MSOLQXFVSA-N 422.551 1.053 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358967713 QOKWSXIBGHQXJV-ROUUACIJSA-N 423.583 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(O)CCN(C(C)C)CC1 1358991731 MPFMJZYDRAWSMU-UHFFFAOYSA-N 407.522 1.433 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1358992326 INJWURPWGOGTNX-NPPFBWRTSA-N 411.506 1.420 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2C)CC1 1359029468 YTMPXHFICBEDID-YESZJQIVSA-N 408.572 1.080 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN(C)C(C)C)CC1 1359036880 MPCZUANIPPSKRS-UHFFFAOYSA-N 410.566 1.973 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2nccnc2C)CC1 1359037275 CPASPEBGVOGROL-UHFFFAOYSA-N 402.506 1.360 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1359227449 BOVOZFUXSSDDGM-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359303383 MDOZHLSANRBXRO-JOCHJYFZSA-N 410.522 1.457 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2nnc(C)s2)C1 1359320403 QAVDDRIJPSXOGY-ZIAGYGMSSA-N 403.512 1.413 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)nn1 1436929081 CFZKJFHMZIAMPA-OAHLLOKOSA-N 403.508 1.957 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(CC#N)n1 1438816983 FADXQXIWXLGOIT-UHFFFAOYSA-N 416.459 1.429 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](O)c2cnn(C)c2)cc1 1441894911 RCQDKECUHFAIMA-LSOGNMMWSA-N 419.507 1.685 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)C2)C1 1452422820 UIFJTPJQEZWGKC-BNRUBQPISA-N 418.494 1.873 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N(CC)c2ccccc2)c1 1455832399 IMFUFJDZNGQQPU-UHFFFAOYSA-N 401.488 1.934 30 10 HDEE COCCCn1nc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1=O 1458882589 MPPLFQSVCUJHME-SFHVURJKSA-N 409.446 1.077 30 10 HDEE C=CCC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1463730242 PAPHNDIUXVSOLB-IRXDYDNUSA-N 400.541 1.985 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(F)(F)c2ccccc2C#N)CC1 1464708664 RIFMPORWVIVMLX-UHFFFAOYSA-N 407.417 1.910 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1466126021 GWWQKVFGNFOVQV-XFQAVAEZSA-N 409.527 1.678 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1466126023 GWWQKVFGNFOVQV-ZOCZFRKYSA-N 409.527 1.678 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CCCC)c2C(C)C)CC1 1466413131 WSBLSCHVTNYGNG-UHFFFAOYSA-N 410.544 1.424 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nccc(C(F)(F)F)n2)s1 1469046973 VJFKRQRQKRQSTD-UHFFFAOYSA-N 420.438 1.880 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@](C)(C(=O)OCC)C3)n[nH]2)c1C 1471284323 KUVSIDUONHWQQJ-HXUWFJFHSA-N 401.467 1.870 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn2[C@@H](C)Cc2ccccc2)CC1 1471451684 WWSUSZDYHGVJBI-SFHVURJKSA-N 414.531 1.517 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)CC1 1472612247 JGZQEJOXTRPPBY-UHFFFAOYSA-N 403.460 1.774 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1475296023 DXNSFAGDTJAPMD-KBPBESRZSA-N 401.410 1.898 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1476223799 HMDVYNZFMPBAPD-UHFFFAOYSA-N 411.441 1.836 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1478284700 NIEHIOBIFKUKFC-RDTXWAMCSA-N 401.529 1.819 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(CC(N)=O)CCCCC2)C1 1478403722 MZVRLAJGHREOGW-LSDHHAIUSA-N 407.515 1.871 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1503800213 CAXZIJVDDFDCAN-INIZCTEOSA-N 411.510 1.110 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccnc1)C(C)C 1507600691 JZPQBPATYRUTPQ-RDJZCZTQSA-N 404.540 1.793 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1ccnc1C 1507612934 XKHMMSPMIOXLMR-UHFFFAOYSA-N 405.510 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1507652891 LWYSPAZCBOVYLM-NSHDSACASA-N 408.409 1.826 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCCN1CCOCC1 1507654956 VRJMDEKIFYAECP-UHFFFAOYSA-N 407.518 1.961 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(N)=O)C1 1507746656 AQAGIGSFARWQIY-AWEZNQCLSA-N 400.464 1.531 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507799330 WAJTZJSUNAFDKZ-ICSRJNTNSA-N 410.522 1.993 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507935445 PPLKMHBOGSWSMC-HNNXBMFYSA-N 410.544 1.057 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(C)(C#N)CC1 1509793056 WDBSBTSPWIXOCP-OAHLLOKOSA-N 410.544 1.587 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512177582 CYMSWJAVPPIUEZ-DCOQFNDQSA-N 415.498 1.179 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1516859597 MTUAILMGKKEAEC-YPOBSOSXSA-N 415.475 1.699 30 10 HDEE COCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1519036490 ZCJCDVQASWMCDD-CQSZACIVSA-N 409.450 1.749 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 1524010788 NCMAMIHYZKAABR-KRWDZBQOSA-N 410.492 1.222 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1525496954 IDZLWWRWYWCJDF-LJQANCHMSA-N 407.536 1.735 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@H]([C@H]4CCCO4)C3)CC2=O)cc1Cl 1525760825 BVTZWLDLBXURHT-OLMNPRSZSA-N 403.866 1.971 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(CC#N)ccn1 1532941138 DBJPZRQLFIEBFX-UHFFFAOYSA-N 407.473 1.218 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1533747290 XZFXEILUSBOVMV-OAHLLOKOSA-N 413.452 1.229 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1534145512 KIUABGIAHBNCCF-CYBMUJFWSA-N 400.884 1.129 30 10 HDEE CCOc1ccc(CCN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1537533178 FPKQCHWCPHNNGE-UHFFFAOYSA-N 401.488 1.825 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1539014243 LPIBPJOOMUECDL-HUUCEWRRSA-N 418.567 1.545 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1539029640 KSFWFZJWJAPSDR-HNNXBMFYSA-N 418.461 1.398 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539090208 ZOXXWUSLHHMVGU-UHFFFAOYSA-N 424.571 1.080 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539203918 WAPNYVANSKOTBQ-PTFIGZPYSA-N 412.581 1.113 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539212899 YTCLLTKZDJMWHP-SFHVURJKSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cccc(S(=O)(=O)NC)c1 1539336711 CKLNUYDQTZUJMD-UHFFFAOYSA-N 415.519 1.234 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1539470383 NLFYGAHXUDHPJS-UHFFFAOYSA-N 420.517 1.945 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540036923 XPRFWYIYZUMUOL-OTWHNJEPSA-N 405.543 1.532 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540880727 OYCKIIJWIYFALV-DOTOQJQBSA-N 424.505 1.509 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1540917066 MVMGRDIPLXAAGZ-HOTGVXAUSA-N 414.597 1.962 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1541804880 FLPXQGWUMDTSOE-SFHVURJKSA-N 422.537 1.977 30 10 HDEE Cc1csc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n1 1542872027 WZDLDQLUMVDTDO-KXBFYZLASA-N 418.523 1.861 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccccn3)nc3sccc23)C1=O 1543552218 ROHIICNWAKJHQG-UHFFFAOYSA-N 422.426 1.669 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](NC(=O)OCC)C2)s1 1544117823 CUGCEYCTXNACET-ZDUSSCGKSA-N 415.537 1.492 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1544229718 CGSVRPOIMXGRFF-JKSUJKDBSA-N 405.499 1.891 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1544308574 NOJANGHLXAYSLR-CQSZACIVSA-N 423.491 1.930 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)C(=O)OCC 1544338402 DRUWPAVBTRVDSJ-CQSZACIVSA-N 404.872 1.673 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 1544373149 WOYKJAIXYDMLFU-DNVCBOLYSA-N 404.486 1.768 30 10 HDEE COC(=O)C[C@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1544896814 LAUNGVHIWJZRIM-KKSFZXQISA-N 412.446 1.611 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1545797619 SINCDHPKQGTTFI-LSDHHAIUSA-N 403.545 1.634 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1554940736 GJXSAXHILPRFLO-JKSUJKDBSA-N 414.466 1.361 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1555024848 IFVVGQQUMBUOKV-SJORKVTESA-N 413.478 1.966 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1ccco1)N(C)C 1555670949 ORDLGLXXHFVBLO-IKGGRYGDSA-N 418.498 1.627 30 10 HDEE Cn1cc(C[C@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1557093191 HKSUZWYAAXSQQZ-CXIVCQEWSA-N 417.510 1.227 30 10 HDEE C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN(Cc2ccccc2)C1 1557323997 HBZVPNOWRTZKIM-OAQYLSRUSA-N 412.515 1.617 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCc2ccc(OC(F)F)cc2)c(=O)n1C1CC1 1559452889 DLZDNUKHDNKNTL-UHFFFAOYSA-N 418.400 1.485 30 10 HDEE N#Cc1csc(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)n1 1565411592 VGAUCTZLPLKJQX-FQEVSTJZSA-N 411.487 1.728 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)NCc1cccs1 1569675677 FQLOYNDZPQNLBY-NSHDSACASA-N 415.518 1.398 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCCCN(C)C2=O)n1 1584418942 NBEDBEZLWLMNMY-LBPRGKRZSA-N 406.537 1.997 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCC#N)CC3)c2)C[C@@H](C)O1 1587541216 AFMGVJPBMXAJDV-IAGOWNOFSA-N 420.535 1.156 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1587621095 OJMAPEOJYYRCOY-MLNJSSBLSA-N 412.519 1.419 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(C(F)(F)F)n[nH]1 1587991754 DUASJSNSQDROCX-UHFFFAOYSA-N 401.370 1.174 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588049539 IBMCHYNQEIUQOA-JKSUJKDBSA-N 401.492 1.245 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)OCC 1588121605 HIIDLNVXUMVLQC-ZDUSSCGKSA-N 404.828 1.802 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1588976224 STFRXSIMJDIHMX-HXUWFJFHSA-N 421.567 1.557 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589208140 VXUHISKZHFIZCQ-ABSDTBQOSA-N 421.567 1.446 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Cn2cncn2)CC1 1595561774 BLNINTBSPQZGTK-UHFFFAOYSA-N 421.509 1.074 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@H]1OCC[C@H]1COC 1595830332 AGNRBGXMDFBQFO-ZFWWWQNUSA-N 410.500 1.080 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(N3CCNC3=O)CC2)cc1Br 1596942938 CZKJDHHXNPRGFM-UHFFFAOYSA-N 407.268 1.716 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1610042915 AXBFLPDWSRJTSY-ZWKOTPCHSA-N 421.505 1.398 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C[C@@H]3CCCO3)C(=O)OCC)cc2C1=O 1611571259 PVFTZJBSJRKOSH-YOEHRIQHSA-N 400.431 1.699 30 10 HDEE CC1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611788934 AHKPGCCQXRSNCO-QFPXGYFVSA-N 414.510 1.935 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCS(C)(=O)=O)n1 1612492850 ASRFRCXGVFMSJJ-QGZVFWFLSA-N 409.491 1.016 30 10 HDEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1612748335 BZUKVVBVLJGYPI-MGPUTAFESA-N 415.519 1.603 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1616665997 XYFPAPSOTSRILJ-IXDOHACOSA-N 424.571 1.757 30 10 HDEE C#CCCN1CCC(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1618545076 HBOHREYILVZPJQ-UHFFFAOYSA-N 419.485 1.434 30 10 HDEE C=CCNc1ncc(C(=O)NN2C(=O)N[C@](C)(c3cccc(OC)c3)C2=O)s1 1618559877 DCMOOBFBXFEIHB-GOSISDBHSA-N 401.448 1.862 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1622745009 CHCWTCWCZBLPHQ-OAHLLOKOSA-N 413.496 1.165 30 10 HDEE C=CCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1627752236 NFGDKGDFXNEATD-OAHLLOKOSA-N 416.521 1.731 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)c1 1628680544 MPLLYLBWQQVULR-ZDUSSCGKSA-N 406.382 1.212 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1629571373 KTVUQGKRUPIHQK-WCQYABFASA-N 401.286 1.045 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1632249472 HAHLYJAQDNUCOI-LLGFUMIMSA-N 406.527 1.562 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)N1CCCC1 1635179507 HMUDYWAOKXVFJN-SDMXJPDVSA-N 404.511 1.900 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC[C@H]2CNC(=O)c2cnn(C)c2)c(OC)c1 1635448177 QLFNYDFAHODMTN-SFHVURJKSA-N 412.490 1.957 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1636284431 QBDPBDLCLRSKNP-INIZCTEOSA-N 424.494 1.448 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 1636434421 LYHVSRONDXASQH-AVRDEDQJSA-N 412.490 1.999 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1636785699 FXBRPQIRWMHMJM-WHSLLNHNSA-N 416.478 1.693 30 10 HDEE C[C@H]1CN(CCO)CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1637895477 TYJHFCULKCPYFK-ZDUSSCGKSA-N 407.312 1.282 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)co1 1639054734 YVLAVMPERCWGNK-UHFFFAOYSA-N 421.431 1.048 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c(C#N)cn1 1639146578 CMWMHWZMZSYGHE-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1639295348 WVVXCRMZWFMXMJ-AWEZNQCLSA-N 411.499 1.391 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)C(=O)OC 1639559019 SCXAUBFIMPKJAQ-QGZVFWFLSA-N 402.451 1.837 30 10 HDEE C=CCC1(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)CCOCC1 1639640977 BNFFNCXSOPOJMU-UHFFFAOYSA-N 406.548 1.906 30 10 HDEE C#CC1(O)CN(C(=O)Cc2cc(Br)cc(I)c2)C1 1640070531 WLEPKYLNFMWEGX-UHFFFAOYSA-N 420.044 1.803 30 10 HDEE COC1(OC)CCOC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1641889457 OYXNTPIPGVTSQY-FZTQNYJHSA-N 423.510 1.667 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2ncncc2C1 1644404717 MZAAKZPEVBARHQ-UHFFFAOYSA-N 413.503 1.660 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1Cc2ccccc2OCC1=O 1644505964 UJURKVRVLWPCPR-KRWDZBQOSA-N 415.490 1.831 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC(n2nncc2I)CC1 1645448945 GXFWGFWSAJMGBV-UHFFFAOYSA-N 410.219 1.868 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](C)N1CC(F)(F)F 1648375508 VISQURRSBOFJSZ-BETUJISGSA-N 418.441 1.320 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)s1 1651543727 WMLSLNKZMUITGR-GOSISDBHSA-N 418.500 1.837 30 10 HDEE COC(=O)[C@@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H](C)c2ccccc21 1653799507 XZLFBEMMHCKHGO-LRTDBIEQSA-N 410.430 1.293 30 10 HDEE COCCOC(=O)CSCC(=O)N1CCN([C@@H](C#N)c2ccc(OC)cc2)CC1 1656503432 AMQJKDDBIXBZNT-SFHVURJKSA-N 421.519 1.327 30 10 HDEE C=CCOc1c(Br)cc(CNCCCN2CCNC(=O)C2)cc1OC 1656522262 KVDNPSXPBACAGT-UHFFFAOYSA-N 412.328 1.934 30 10 HDEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCOCC1 1658401865 UKECMUKDZWEKPX-IRXDYDNUSA-N 422.323 1.993 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCOC2(CCS(=O)(=O)CC2)C1 1660652062 QMURRADPDTYURE-INIZCTEOSA-N 423.510 1.740 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(Cc3noc(C)n3)CC2)c1 1664362609 SXBGUZGVUDMLOD-UHFFFAOYSA-N 404.492 1.937 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1OC)C(=O)OCC 1665496262 ACBNMHJYBWLMIH-VIFPVBQESA-N 411.885 1.896 30 10 HDEE C#CCN(C)CCCNC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1668206133 KJNRCVMNIHBAOA-UHFFFAOYSA-N 400.523 1.483 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1677317981 IWTNCYVRMSXUCY-OAHLLOKOSA-N 400.479 1.351 30 10 HDEE CC1(C)[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C[C@@H]1OCc1ccccc1 1680385750 QDEANLPAHLDTDJ-NTLWEQJWSA-N 417.531 1.950 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 1687593258 MGGVJSXWENAGLO-LJQANCHMSA-N 417.941 1.703 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC(C)(C)C1 1689868325 CRGWAMSQOPZUGH-SQNIBIBYSA-N 405.543 1.571 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1689974934 DBTDWGDWXXSGQI-GOSISDBHSA-N 418.519 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)OC 1690046754 GQFGKQGFUPDIIU-KRWDZBQOSA-N 406.552 1.848 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1690227514 AUSVCFUGRJBFLH-CYBMUJFWSA-N 411.304 1.243 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690251441 VHBZWANMFATEBG-QFBILLFUSA-N 423.583 1.730 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690343943 HVFITEYXPPXFDP-HUUCEWRRSA-N 422.917 1.691 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1690669778 OOQNMQOWOAJQDF-MRXNPFEDSA-N 414.554 1.933 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnn(C)c1 1690672604 XLFQIHDWAHGAMF-GOSISDBHSA-N 423.477 1.463 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1690675213 SCFOIKHICRQAQL-UOIKSKOESA-N 414.535 1.807 30 10 HDEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1695758477 FTLHZWWAXWPBGW-CABCVRRESA-N 416.448 1.785 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1696518279 UQZCXYYLFIARPO-JYRCXFKTSA-N 408.459 1.216 30 10 HDEE CN(C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1696571753 ZMUIIOKBHXBQFY-FUHWJXTLSA-N 416.526 1.692 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)cc1 1697361275 GINCWQOANVKQNO-LJQANCHMSA-N 401.442 1.937 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCn1ccnc1C 1705477275 LRBPYTCXLRDICX-HUUCEWRRSA-N 407.544 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705478425 BDOBWXFUPCSWPS-JXFKEZNVSA-N 424.567 1.746 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1705486074 WKSIQZJEXJWCBQ-PBHICJAKSA-N 419.493 1.293 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705524718 RDYCJNRPKXLXSQ-JKSUJKDBSA-N 424.571 1.044 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1705544520 UALVDGAXPUYGNY-UHFFFAOYSA-N 408.480 1.085 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705632583 VFRRKQZLULWJDF-LJQANCHMSA-N 402.587 1.688 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705652364 WYCDOHLLEFMECT-HZPDHXFCSA-N 407.540 1.167 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705659904 JAJAEVWMCAELPS-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1705662961 RKSJCYPRDKDLAR-UHFFFAOYSA-N 422.562 1.690 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C(N)=O)CCOCC2)CC1 1705776729 NZBJSPPUCJZYJT-INIZCTEOSA-N 421.542 1.687 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705890900 OTEYTFRHBDTXPG-SOUVJXGZSA-N 407.471 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705896891 BDOYWFHBWXAJLL-GUDVDZBRSA-N 422.533 1.837 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCSC2)CCOC1 1706660982 QTEDMVIBFBHKSW-ATZDWAIDSA-N 409.556 1.925 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCSCC2)n1 1707826365 GWRJVNZZLNZNKG-LJQANCHMSA-N 418.546 1.631 30 10 HDEE CC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709263696 HDZSZUYBYPIORD-ZJYNUGOYSA-N 424.509 1.831 30 10 HDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1710820644 IDWZQWKQBFIYOB-UHFFFAOYSA-N 411.510 1.651 30 10 HDEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712171050 BEFDUDNBLMKFKR-MRXNPFEDSA-N 423.456 1.313 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCSCC2)CCO1 1712884051 FPAAZIJVKAXRBX-GOSISDBHSA-N 416.526 1.786 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1722324776 YEDSUUJECGCOFA-UHFFFAOYSA-N 424.553 1.768 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC1 1722420846 INLWHDSHFYBHPY-UHFFFAOYSA-N 408.300 1.657 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1722453305 RCLLUGVVTKVOKJ-DLBZAZTESA-N 403.552 1.743 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1722691733 SHLDYTHQUZRPPJ-UHFFFAOYSA-N 401.515 1.631 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCSC2)C1 1722708718 CBHJUJRYUWEUJB-OXJNMPFZSA-N 423.583 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@@]1(OC(C)C)CCOC1 1722737234 XRXVGDULPNDJCD-GOSISDBHSA-N 424.527 1.397 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCCC)CC1 1740695075 CQPFSXLSMYSZLR-UHFFFAOYSA-N 418.505 1.722 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](CC)OC)CC1 1740705471 HUCNBNAJQHMICN-QZTJIDSGSA-N 403.527 1.911 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740838463 PVRIIJFSFZGWDD-KRWDZBQOSA-N 424.567 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccoc1C 1740985821 MLJSUGYEEOKYTJ-UHFFFAOYSA-N 409.512 1.555 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1741992967 FFRTXWPFPNGKFZ-GOSISDBHSA-N 408.506 1.940 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1741994388 PDWSSIZHWIKCQG-GOSISDBHSA-N 424.505 1.870 30 10 HDEE CCc1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744632632 VTPVGHIIYAYGOA-ZBBYCGENSA-N 413.526 1.432 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748682387 UPZMDAKMLFCLIZ-GOEBONIOSA-N 407.565 1.812 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1748887515 BMRSKGKTKFPIEN-INIZCTEOSA-N 414.510 1.559 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2ccco2)CC1 1748993711 JGIRXGMCBJVLOC-UHFFFAOYSA-N 419.489 1.042 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)[C@H]1C 1749038896 YPWJKWUNLFUTKT-RBSFLKMASA-N 414.622 1.877 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1749103892 GOMAPSDIZLBSBF-STQMWFEESA-N 419.345 1.704 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1749445055 IYSIYVAAYPCHFL-HNNXBMFYSA-N 413.544 1.098 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1749488090 IPIPLYVHFJYUPX-GVDBMIGSSA-N 409.556 1.608 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1749653044 VDNBMSORKGRKLF-UONOGXRCSA-N 416.457 1.171 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)C1 1749705001 FBHZYNNFYDSNRX-HBIPHATFSA-N 402.524 1.818 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1cccs1 1749732294 UYTSZWPNZVVRCY-OAHLLOKOSA-N 423.564 1.918 30 10 HDEE COCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1750033665 KUSNHBMIASQWKK-IEBWSBKVSA-N 413.478 1.584 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750380605 UYFILSWYFBQTFI-ZWSWSHGQSA-N 422.424 1.308 30 10 HDEE CC(C)(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750515536 PEZFUUNQBRZJGB-CVEARBPZSA-N 401.515 1.221 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1751135783 AMDPBFOQJPLEIY-CYBMUJFWSA-N 405.466 1.220 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCC[C@H]1CO 1760123156 ZLDYHWSKSHZHPL-ICSRJNTNSA-N 413.570 1.835 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1760157558 SVIVOTURXWGMMW-UHFFFAOYSA-N 407.540 1.217 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1760182133 GWEITJUBEQRMKV-YESZJQIVSA-N 410.540 1.080 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@H](Cn2cccn2)C1 1760327423 GZVPYPAFEDCWPN-BJLQDIEVSA-N 416.526 1.898 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(Oc2cc(C)ccn2)CC1 1760528222 WCZHGXQDUQDFRF-UHFFFAOYSA-N 414.510 1.868 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCSC2)C1 1760547662 OXAYQIQZLADUAD-PFRQMTDMSA-N 424.567 1.651 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cs1 1762284365 XHPNZVQOVXYETK-MRXNPFEDSA-N 424.527 1.653 30 10 HDEE CC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1762349419 HIKJPZHUZGUQBB-INIZCTEOSA-N 423.525 1.938 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763657422 RSWLVBSJDZOZMA-PICWGWEPSA-N 414.510 1.935 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1766550364 JQLIXBBAFKZGKI-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1767871572 RAOBDMXUDIJOIU-VGOFRKELSA-N 422.489 1.684 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1769783626 FRYCUEBYIICMJO-RTBURBONSA-N 423.521 1.110 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1769908550 DWOUVKDORYVJQS-CYBMUJFWSA-N 422.445 1.787 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1770201707 BYIOCEIVIPOYLP-BOSXTWCSSA-N 422.505 1.165 30 10 HDEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772787770 BYSYHCSXMMFCGH-UHFFFAOYSA-N 400.412 1.804 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN3CC(=O)N(CC)C3=O)ccc21 1850282737 RQKZIWWNTFHLAT-UHFFFAOYSA-N 414.462 1.847 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)cn1 1850550110 QZTVJMWPFDMZRI-HNNXBMFYSA-N 405.476 1.283 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 1852655054 GSQUNSXAKUHQDI-QGZVFWFLSA-N 413.927 1.328 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(C)nn2C(C)C)C1=O 1853789800 OJKMYWUWWQPZFG-IAGOWNOFSA-N 401.511 1.622 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CCN1CCCC#N 1854268336 QCWNRSCJUILKHN-ZDUSSCGKSA-N 404.417 1.400 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCn3cc(C)cn3)C3(CCCC3)C2=O)CC1=O 1854502695 IYYXMDLUCHOWBV-SFHVURJKSA-N 413.522 1.210 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(Cl)n2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642863 ZINPLPQCWXNGRL-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C[C@@H]1CN([C@@H]2CCS(=O)(=O)C2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1854739869 GRAUDKAZBPMHGB-RHSMWYFYSA-N 424.482 1.770 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)C[C@@H]3CCCCO3)C2=O)C1 1854871524 ZOIKZBMSYAGNLT-LPHOPBHVSA-N 412.490 1.883 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1855321329 MRWORKRLNUBLOI-LJQANCHMSA-N 407.474 1.497 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1855411508 GRNLSUASQXDMHL-ZWKOTPCHSA-N 402.539 1.099 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cncc(OC)c2C)C1=O 1856735010 CJCRLANOFNYMPX-IRXDYDNUSA-N 400.479 1.249 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc(OC)c2C)C1=O 1856735011 CJCRLANOFNYMPX-SJORKVTESA-N 400.479 1.249 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1856867542 ZIYVDGNJFIFGOE-SJORKVTESA-N 415.490 1.504 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc3n(n2)CCCC3)C1)[C@H]1CCN(C)C1=O 1857076575 KXLOVZFQTVDOJV-LPHOPBHVSA-N 413.522 1.317 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)C1)[C@H]1CCN(C)C1=O 1857240855 YSWHLXHTNHVNEY-ZBFHGGJFSA-N 409.477 1.906 30 10 HDEE Cc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870154789 ILCLMIXPHXOHOS-UHFFFAOYSA-N 400.398 1.854 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cnc[nH]1)C(=O)ON1C(=O)c2ccccc2C1=O 1880977800 DYWAEPMLJABQFJ-CQSZACIVSA-N 400.391 1.600 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(Br)o3)CC2)CC1 1889238909 WCTVPSNLEWZMBL-UHFFFAOYSA-N 424.339 1.914 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993456159 GWEZHBWEMSUUJN-AWEZNQCLSA-N 413.334 1.576 30 10 HDEE CC1(C)OB(c2cnc(N3CC(n4cnnc4)C3)c(Br)c2)OC1(C)C 2116143132 WMSDFRAZOWDFLW-UHFFFAOYSA-N 406.093 1.796 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139217211 XMLZKYSZEKOQCM-FOIQADDNSA-N 421.494 1.028 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157013457 CFIKRNSOQJQCIZ-LLVKDONJSA-N 403.331 1.337 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCOCC1 2174782606 SAOUCJLSNJBYOR-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cccc(Br)c1)C(=O)NCC#CCO 2221672518 ABSPYAYHPBJTGI-OAHLLOKOSA-N 411.296 1.997 30 10 HDEE CN(CCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2248055491 LTQBLTJYAUVEMG-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2248404941 QCMQZOAKKYJDOY-CQSZACIVSA-N 424.278 1.949 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267710120 OAQLGVHDCLPNQN-BUBHHJDNSA-N 407.388 1.234 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCCNS(C)(=O)=O)c2Cl)OC1(C)C 2281947436 OJRGTBFGTGHGFX-UHFFFAOYSA-N 422.765 1.370 30 10 HDEE CN1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCC1 2282331869 SRVFHPKCIFUDSF-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CC[C@H](C4OCCO4)C3)c2)OC1(C)C 2282419301 OGBSTEVXWFGSEJ-INIZCTEOSA-N 423.340 1.510 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1CO 2282419477 PLBIANKVDFJZPX-STQMWFEESA-N 401.359 1.686 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282496872 IUAMFVHRQLNFBX-QWHCGFSZSA-N 401.359 1.856 30 10 HDEE C[C@H]1CNCC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282497734 UMDXOARHOBRNRL-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCO[C@H](CCF)C2)OC1(C)C 2282502538 MSACVRIAIGECSQ-GFCCVEGCSA-N 405.322 1.796 30 10 HDEE CCc1nn(C)c(C(=O)N[C@H]2CCCC23OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282557740 ZJALTVGTYIXTRG-AWEZNQCLSA-N 405.304 1.307 30 10 HDEE C[C@@H]1CO[C@@H](CO)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282623684 HJWUHCFSOSDING-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@@H](N)C2)OC1(C)C 2282833055 ULWGTOBDQXZWAO-GFCCVEGCSA-N 401.363 1.085 30 10 HDEE CC(C)CC1(O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282850300 NEPSALVINAJXOB-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1C 2282861001 JEUFEIAKRWYRCY-STQMWFEESA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](N)CC(F)(F)F)OC1(C)C 2282868878 UMXIFKQNFMJQOB-SECBINFHSA-N 414.280 1.605 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)[C@@H]1N 2282878082 AWHNTDXKYRBGBM-JYAVWHMHSA-N 400.375 1.651 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402431 JCHGRHRPNLFBKZ-ZYHUDNBSSA-N 403.331 1.825 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC(=O)O 2284414726 JICFWICILVOUED-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCO[C@H](C(=O)O)C3)c2Cl)OC1(C)C 2284421189 LPWKGDZAQFDWQA-JTQLQIEISA-N 401.677 1.626 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2296616798 JYYCJINTVBPUDE-SFHVURJKSA-N 411.462 1.175 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC(F)(F)C(F)(F)CO)[C@@H](O)C(F)(F)F 2361665148 PTWDIHGDWPVBKU-NKWVEPMBSA-N 416.290 1.182 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2365201501 JDFXEYNEXVYVEM-JYJNAYRXSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367782736 AUODGNQPPVKUHO-CRAIPNDOSA-N 400.541 1.606 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H](CC)CNC(=O)OC(C)(C)C 2367826148 VWNZEKQEPKSMOZ-OAGGEKHMSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)CO2 2368728077 FIXDGQCMENBRLX-CQHYGJOFSA-N 402.513 1.584 30 10 HDEE C#CCN(CC(=O)Nc1cccc(CN2CCSCC2)c1)[C@H]1CCS(=O)(=O)C1 111192826 PTADYPIROXKRHD-IBGZPJMESA-N 421.588 1.296 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1C 219945399 XIWXZHJSAOZEPO-FUHWJXTLSA-N 405.458 1.998 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2ncnc3ccsc23)CC1 301422934 OEFQKXGWQNXONF-UHFFFAOYSA-N 400.489 1.537 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1 410133072 ZQUJWQZEHQQZLW-RDJZCZTQSA-N 400.570 1.827 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccccc2OCC(=O)N2CCOCC2)cc1C#N 427239647 RUQUIFMDKZUWNT-UHFFFAOYSA-N 416.459 1.300 30 10 HDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccnc(C#N)c4)CC3)cccc2c1 474790837 LGAMWBBZRYWLQN-UHFFFAOYSA-N 421.482 1.957 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cnn([C@H]4CCOC4)c3)CC2)cc1 480747125 HARSGBGLGGJNIM-INIZCTEOSA-N 402.476 1.948 30 10 HDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1O 481056922 JCKFWRGTNRXMBG-OAHLLOKOSA-N 408.451 1.682 30 10 HDEE Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 481954774 CJXIJRXSOBVESP-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccsc2)C1 482804406 ZTVSEZNGGLMFFP-DYVFJYSZSA-N 405.501 1.887 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2cccs2)C1 483094135 XDOULVFEPUFZFF-CJNGLKHVSA-N 405.501 1.887 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 484934546 IXSCNLFZXAAJDI-LJQANCHMSA-N 400.456 1.779 30 10 HDEE COc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cnc2c1cnn2C 486020118 YHLSXWANLFLPSV-QGZVFWFLSA-N 404.430 1.379 30 10 HDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)[nH]c21 505130170 MHAJSTTURDDRCS-UHFFFAOYSA-N 422.445 1.236 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 508761336 GMYWZJDRGJSRFL-LJQANCHMSA-N 410.492 1.330 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508921743 MSGQEDJANRWMDI-IAGOWNOFSA-N 407.515 1.263 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OC)C[C@@H]3CCCO3)cc2C1=O 524444896 LPVFBTCBTRKYGN-HNNXBMFYSA-N 400.431 1.653 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1F 535587192 XMYSQWMZWZEDFO-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)c1=O 536571325 VMLWDNJYCGQDBZ-UHFFFAOYSA-N 404.434 1.192 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 542211176 TYRMZVQOMPFNBY-UHFFFAOYSA-N 405.501 1.473 30 10 HDEE CN(CCC#N)S(=O)(=O)Nc1ccc(C(=O)O)c(I)c1 547932499 HDDYFJHUBOCJRW-UHFFFAOYSA-N 409.205 1.492 30 10 HDEE N#CC1(NC(=O)CN2CCN(CC(=O)NC3(C#N)CCC3)[C@@H]3CCCC[C@H]32)CCC1 559439302 VDHPIRXSVARPFO-QZTJIDSGSA-N 412.538 1.040 30 10 HDEE CCN1C(=O)[C@H]2CC3(CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CN2C1=O 581803058 FPVVAPXWEKBJGW-MRXNPFEDSA-N 402.476 1.386 30 10 HDEE C[C@@H]1CN(Cc2cccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CCO1 586809490 SZMVNWLTHLNCIN-MRXNPFEDSA-N 424.476 1.851 30 10 HDEE Cc1cc(C#N)cc(N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 587617117 AGUZGAAYPXTWNF-UHFFFAOYSA-N 414.487 1.934 30 10 HDEE N#CCc1cccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 588139289 XCGMNIIVKNGPBT-DLBZAZTESA-N 411.483 1.950 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1C 590981690 GSDWSNOWQQIULB-UHFFFAOYSA-N 421.434 1.750 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccncc2)c1=O 603798729 GWAPYVQSJZVPQX-UHFFFAOYSA-N 404.495 1.630 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccc(F)cc1 603924302 KYFYOIPWQZNZAP-UHFFFAOYSA-N 415.396 1.565 30 10 HDEE CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 608810469 VUQNRDOJYXKWEF-UHFFFAOYSA-N 414.896 1.962 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609517909 FBVLTHUMYWTODZ-SFHVURJKSA-N 424.432 1.956 30 10 HDEE CC(C)CCNS(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)nc1 609890609 FRHVUMMMQOZUHH-UHFFFAOYSA-N 414.535 1.999 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN(C)CCN2CCCS2(=O)=O)cc1 610604112 ATUUEIVZLLBBNH-UHFFFAOYSA-N 408.524 1.299 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)OC(C)(C)C)c2)CC1 611437055 TYUUJOLDOKLOIH-UHFFFAOYSA-N 416.522 1.771 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)CC1 619105721 ILESFGJVDBVONO-UHFFFAOYSA-N 400.442 1.572 30 10 HDEE N#CCc1cccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 619495589 DELVETNFTXJXPQ-UHFFFAOYSA-N 417.512 1.518 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCNCC2)cc1B1OC(C)(C)C(C)(C)O1 725387593 SBDDGDJBTZXPBX-UHFFFAOYSA-N 408.373 1.877 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ncc3ccccc32)c1 730487585 WOCALFUCGIVFND-UHFFFAOYSA-N 402.454 1.910 30 10 HDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CN2CCC1CC2 732158644 ABQUDXXWKZAVLJ-GOSISDBHSA-N 418.563 1.838 30 10 HDEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCN1C1CC1 732664802 ORNSFAMYLYQLDM-IBGZPJMESA-N 416.547 1.433 30 10 HDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C(=O)OCC 734027437 VFGPQJOKSIYKIH-UHFFFAOYSA-N 416.883 1.798 30 10 HDEE C=C(COC(=O)[C@H](CO)NC(=O)c1cccc(Br)c1)C(=O)OCC 734029141 PNUBNMZIDYZPLH-ZDUSSCGKSA-N 400.225 1.202 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 734291282 LYTZBNJSORORCA-SFHVURJKSA-N 411.483 1.905 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)c1 735945273 XNEFWNOQFKXOEW-UHFFFAOYSA-N 400.435 1.424 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)OCC#Cc1ccccc1Cl 747069895 HNMJZMPPUCUEJZ-CYBMUJFWSA-N 409.895 1.952 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 750050725 QNLBFIITKWVYBU-UHFFFAOYSA-N 404.517 1.595 30 10 HDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1 751665128 UPPOFVRCPPUQGZ-IAGOWNOFSA-N 404.536 1.783 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)cn1 768575192 JCDFDQLLVSDBMJ-UHFFFAOYSA-N 411.531 1.964 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCC(=O)OCc1ccccc1 770809411 NXGUDPGVNMQCDF-HNNXBMFYSA-N 416.455 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1 771075990 KQGQHGHIMXLQPP-UHFFFAOYSA-N 401.485 1.152 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2C2CCOCC2)c1 771783396 DRGXFVIXURQQSV-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 774249320 YHKSDFNHUIYWKP-RBUKOAKNSA-N 417.531 1.052 30 10 HDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 774271816 KBXNIAFQRQIKNI-HNNXBMFYSA-N 406.483 1.904 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)OCC(=O)NC2(C#N)CCCCC2)C1 777206680 WTGWOEJYRMEJFV-UHFFFAOYSA-N 409.483 1.898 30 10 HDEE Cn1ccnc1[C@](O)(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 780398636 OVQBTLQGHDNXHE-DLBZAZTESA-N 418.416 1.938 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)n1 788695551 TUEGSVHYTLIEHC-UHFFFAOYSA-N 408.436 1.270 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3c(C)cc(C)cc3C)C2=O)CC1 788945685 OEBMFCVOGKWDOL-LJQANCHMSA-N 410.518 1.888 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 789809645 GIHDOHIBQJAXNB-UHFFFAOYSA-N 411.437 1.694 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)OCc3ccc(C#N)c(F)c3)cc2S1(=O)=O 791338298 HCFVESGWWAANLS-UHFFFAOYSA-N 418.402 1.845 30 10 HDEE CN(C)c1nccc(NN=C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)n1 794514212 IBRCIVOLWBXFEE-CQSZACIVSA-N 405.503 1.704 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC(=O)N2C(C)(C)C)cn1 796412396 GGOOMQWVTKHVBZ-FQELHTAISA-N 415.494 1.460 30 10 HDEE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(C#N)s3)CC2)cc1 797825105 BAFFOZPWXNKDNL-UHFFFAOYSA-N 406.533 1.729 30 10 HDEE C#C[C@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 798362332 FJEITRGQPPLSGT-SJORKVTESA-N 418.567 1.560 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 803418869 VGPBDSGNYISNFC-VXPUYCOJSA-N 404.417 1.920 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)c1 803923079 UXWXXULNNPIIKL-UHFFFAOYSA-N 417.418 1.558 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCn2cnc(C#N)n2)[C@@H]2CCCO[C@H]2C1(C)C 804620576 RJMMLJQXFMMIQW-RCDCFZSISA-N 418.498 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@H](C(F)F)C1 810079484 GMWLAPALTSITSG-ZDUSSCGKSA-N 402.423 1.828 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 812535687 CQYZLBMEMSUVOE-AWEZNQCLSA-N 414.277 1.498 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 915416370 CRGLMLYXUJIUSU-VIFPVBQESA-N 423.472 1.794 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccs3)n2N)cc1 1084449406 DOHCPULWWOCTAT-UHFFFAOYSA-N 417.520 1.917 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1130302805 KBVBUIYLWHHRDV-KRWDZBQOSA-N 420.531 1.521 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C2CC2)[C@H](C)C#N)c([N+](=O)[O-])c1 1130875606 UYFCRFAGFNVQRG-CYBMUJFWSA-N 424.479 1.907 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@H]12 1137591736 HXHZVFOARQZEMS-RSUWNVLCSA-N 402.499 1.804 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1150000481 LJYLJYKHJMQDHR-OAHLLOKOSA-N 417.853 1.129 30 10 HDEE CN1CCN(c2ccnc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c2)CC1 1151288777 AWCWNEGXBZZTFX-UHFFFAOYSA-N 417.466 1.522 30 10 HDEE C#CCN(C(=O)c1cn([C@@H]2CC[C@H]2O)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367728 VECIMUXQHPVDDQ-IAGOWNOFSA-N 403.483 1.449 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@@H]1CCOC1 1159759860 QNGLBNBMNBPZGT-WBVHZDCISA-N 408.476 1.320 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)C1 1177754680 MCQYYSAXXJSQDT-OAHLLOKOSA-N 409.490 1.612 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 1180319254 BSZVAOAPCPHPDS-JQHSSLGASA-N 405.520 1.890 30 10 HDEE CN(C)c1nccc(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 1188615234 GXFHCPRRUWWYLH-UHFFFAOYSA-N 414.260 1.794 30 10 HDEE CCC1(N2CCOCC2)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1196646958 VBEFYIMWBUOVPQ-FQEVSTJZSA-N 405.587 1.256 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@H]1CCCOC1 1197844295 BTVTYSCEGHVGDB-OKZBNKHCSA-N 406.552 1.488 30 10 HDEE C#CCOCCNC(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1224888324 OGLVOBCQHHNSME-QGZVFWFLSA-N 424.542 1.526 30 10 HDEE Cn1cc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(F)cc21 1226865770 CSQKJTUBHRKZMQ-LIRRHRJNSA-N 404.467 1.440 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)C1 1233852495 LERKTAGJCGPINY-DSEONOSFSA-N 421.498 1.666 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@]3(O)CCOC3)c(C#N)c2N)cc1 1252653601 LEKOAKVLCVRFFL-NRFANRHFSA-N 412.494 1.408 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286348946 BVIFEMVAMRSFNT-LJQANCHMSA-N 415.538 1.661 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1286466153 WRHTWOIKYKKPCP-UWJYYQICSA-N 401.511 1.617 30 10 HDEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1286511998 HAYDYRIGAJOSPK-QKLQHJQFSA-N 424.567 1.537 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC)C(=O)C1 1286557354 UQPOLVPVZPNMJH-LMMKCTJWSA-N 403.527 1.822 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286670122 AURIKAYQWPJQFL-FOIQADDNSA-N 421.567 1.847 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C 1286740331 JGFDTPAPWCSWTK-KRWDZBQOSA-N 412.494 1.519 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](C)C1 1286791667 YSPNENYHVCAUNN-DAYGRLMNSA-N 413.478 1.706 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2)c(F)c1 1289397796 LEUHHKSLBLUOQI-LPHOPBHVSA-N 405.495 1.949 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)CN2CCCC2=O)cc1B1OC(C)(C)C(C)(C)O1 1294895673 YFUHDXJAANIHAU-MRXNPFEDSA-N 402.300 1.007 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1296971427 CDBXGZJUBNSWOP-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1300309299 GPFFZBFNCPYUAQ-CABCVRRESA-N 415.585 1.212 30 10 HDEE CC(C)(C)OC(=O)CN(CC1CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1300327159 AABOCUHKVXUFTJ-UHFFFAOYSA-N 407.492 1.305 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1300382358 RBLHUDVAUNRVEZ-UHFFFAOYSA-N 412.538 1.766 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300428913 SXSFPXGISCLILN-CNNODRBYSA-N 417.554 1.717 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1300754004 FHZWXVOKOGUABX-PKOBYXMFSA-N 414.579 1.807 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300808953 YSNMEOUKGLPAMV-WMZHIEFXSA-N 422.533 1.751 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1301021689 YIODFIMHIWUHCM-NRFANRHFSA-N 403.284 1.698 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@](C)(CC)C1 1301519994 APPMSEPIRYQCGE-RIFZZMRRSA-N 407.515 1.310 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)n1 1302286731 LXOFYDPZFIHVKK-URLQWDBASA-N 418.477 1.205 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 1303557199 OKBLKHFCMNWDRW-AWEZNQCLSA-N 403.280 1.373 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1 1303775210 JIVNMMGGDHPHFY-UTHDKSHUSA-N 421.519 1.314 30 10 HDEE CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1303835882 FXVOWDFEMCKAIY-RHSMWYFYSA-N 415.539 1.061 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)o1 1304324966 FAJUYXMJKOXNGG-AWEZNQCLSA-N 407.496 1.789 30 10 HDEE Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1304827936 YICZCQVCQCZJPU-ISLYRVAYSA-N 402.499 1.897 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(O)(c2ncnn2C)CC1 1308047507 KXJKNZFJTQAKRB-INIZCTEOSA-N 412.494 1.442 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(OC)c(Br)cc1OC)C(=O)OC 1309574256 VQANXDIBMYFOLT-JTQLQIEISA-N 406.254 1.310 30 10 HDEE C#CCN(C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1311036285 QFZTZYCHKUVZOW-CQSZACIVSA-N 424.523 1.614 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1312904522 FOKZRZSCRZVAFC-CQSZACIVSA-N 408.476 1.208 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1313781479 QHMIOAVGUJEWCJ-GOEBONIOSA-N 419.507 1.698 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCOC1 1314681847 HIHLQHWKIQOZPR-HOTGVXAUSA-N 409.450 1.030 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)COCCO1 1316291214 QCXJVQZDNKWYNI-PZBISTMVSA-N 419.526 1.938 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H]2CCCCS2(=O)=O)cc1 1316530188 HCLQDGWNXXHWCN-KRWDZBQOSA-N 401.492 1.621 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1318521210 KAQJJJWKHGFLGX-QGZVFWFLSA-N 413.522 1.863 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n(C)n1 1318823991 HKBUMLLJECZJGD-RDJZCZTQSA-N 407.430 1.302 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@H]1C 1358871406 FCGZITNFKVXRLC-LTIDMASMSA-N 411.572 1.942 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)C(C)(C)C 1358997179 HXAPYFAYKTWOBO-UHFFFAOYSA-N 409.538 1.765 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COc3ccccc3O2)CC1 1359028063 GBJLUDGLQLLTQM-QGZVFWFLSA-N 424.505 1.012 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC(F)F)CC1 1359033265 VWKGNZUUXGJLGS-UHFFFAOYSA-N 418.448 1.090 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCC[C@H](C)C2)CC1 1359047564 LNGFHFSWXMYKNQ-SFHVURJKSA-N 416.570 1.512 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cnc21 1436071151 WTPHKTFWVMUZAT-UHFFFAOYSA-N 410.865 1.957 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)COc1cccc(Br)c1C#N 1439204975 MJLVJKRLUOFVGK-FZMZJTMJSA-N 411.252 1.926 30 10 HDEE COc1cc(O)ncc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1441631889 QEVDJYCAYVHWLG-PGMHBOJBSA-N 404.448 1.861 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 1443772334 JUQGYXVSNVWSDA-CQSZACIVSA-N 402.394 1.377 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1450522058 DRPWWDPBCFSIAQ-LLVKDONJSA-N 417.325 1.640 30 10 HDEE Cc1cc(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1462997055 HMIGBQGIRICUMC-LRDDRELGSA-N 413.293 1.533 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1463075330 FKOPRPWETCMXNR-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1463101332 PXOWQCPECJGGDN-KRWDZBQOSA-N 410.455 1.197 30 10 HDEE C=CCC1(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCOCC1 1466526123 UTGRYIOKOFUBEX-UHFFFAOYSA-N 422.503 1.320 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1468483230 QOEUJMNDHFPMST-INIZCTEOSA-N 423.494 1.656 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C1CCOCC1 1470311950 MDSXIYVLXGFPQZ-OALUTQOASA-N 424.588 1.940 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCc3cccc4cccc2c34)CC1 1471406674 CQROWNIOVYOHDD-LJQANCHMSA-N 412.515 1.622 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C1 1471832199 AYJSUSFHLZCXPF-AWEZNQCLSA-N 408.428 1.906 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1472228536 QZKPDYKDABPRDI-KGLIPLIRSA-N 418.512 1.035 30 10 HDEE N#Cc1ccc(Br)cc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1472740136 ZCDMWOLXWBTBAR-OAHLLOKOSA-N 414.325 1.952 30 10 HDEE C#CCOc1ccc(Br)cc1CNC[C@@]1(OC)CCS(=O)(=O)C1 1474274129 SPWKHTFZVSOVDW-INIZCTEOSA-N 402.310 1.754 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 1479312568 ITRALQPFYYFMHC-FPOVZHCZSA-N 409.534 1.217 30 10 HDEE CCCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1500939026 JTRJUOSCPYEHFC-IAGOWNOFSA-N 401.515 1.080 30 10 HDEE CNC(=O)CCn1c(-c2cccn2C)nnc1N(CCOC)Cc1ccc(C#N)cc1 1503812906 GTDTUCFVBGAJKD-UHFFFAOYSA-N 421.505 1.944 30 10 HDEE COc1ccc(COCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1504286997 VSBVXUXTRPURHX-GOSISDBHSA-N 421.461 1.689 30 10 HDEE C#CCCCCn1c(N2CCN(CC(=O)NCCOC)CC2)nnc1C(C)(C)C 1507573750 JBPUIPWYOOVUQG-UHFFFAOYSA-N 404.559 1.264 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1507637264 IZMGQQALEYTGIO-CQSZACIVSA-N 409.537 1.141 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnc(C)s1 1507651666 CKSWNPUGXMCOOZ-UHFFFAOYSA-N 416.470 1.875 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCc1n[nH]c(C)n1 1507671546 KYBZTCAEASIEND-UHFFFAOYSA-N 413.489 1.649 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(C)COCCO2)CC1 1507737621 AVUXCQBGZJCCMG-QFIPXVFZSA-N 417.554 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(F)(F)F 1508072266 CWKCSZWNTVDCMY-UHFFFAOYSA-N 421.387 1.222 30 10 HDEE CC(C)CNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1C[C@@H]1C#N 1529448305 FIUOMWBSERGECP-GDBMZVCRSA-N 406.508 1.874 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c1Br 1531099089 RMEVCGIFRFHKKH-ZDUSSCGKSA-N 412.309 1.961 30 10 HDEE Cc1nn(C)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)c1C#N 1531925011 GHTUMJKXDPKJRU-LBPRGKRZSA-N 404.496 1.612 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@@]3(C#N)CCSC3)nn2)C1 1534756466 OUZPJCKQKPMWHY-SCLBCKFNSA-N 406.512 1.979 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2[C@@H]3c4cccc(Br)c4C[C@H]32)C1=O 1534859761 LMYNUEZIFPASBH-KCPJHIHWSA-N 418.247 1.180 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1538931599 MENYNCXYOXDJAL-LJQANCHMSA-N 407.426 1.593 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539076263 OLJGGNJNPYMWCS-GOSISDBHSA-N 416.551 1.585 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1COCCO1 1539422587 FQYGTVMLYRLOHZ-GOSISDBHSA-N 404.442 1.498 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nccs2)CC1 1539480765 DZRZPEPUWUYSOP-HNNXBMFYSA-N 400.508 1.253 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1539526554 QCDPQOMIPUHHAF-SJORKVTESA-N 403.552 1.772 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1539722547 PBWHZHMYWAJJDQ-UHFFFAOYSA-N 404.515 1.199 30 10 HDEE C=C(CC(C)C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1540615643 GULZCYJKDMGUNL-UHFFFAOYSA-N 422.551 1.353 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(N2CCNC2=O)CC1 1540867183 NJEFVBWUCMXBTD-UHFFFAOYSA-N 423.521 1.550 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)C1 1540884466 POOHOWQKKSWAIF-DZGCQCFKSA-N 410.500 1.014 30 10 HDEE Cc1c(Cl)cccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1542124171 GCPXQKCUZFXGGR-GDBMZVCRSA-N 400.870 1.968 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCN2CCCO)n1 1543011018 AJJIDJDAUHHASA-LPHOPBHVSA-N 414.558 1.582 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1548318174 CVFONXDWIXIMHN-PBHICJAKSA-N 419.507 1.964 30 10 HDEE C=CCOC[C@@H](NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)C(=O)OC 1556375627 OEGWUFFHRBUKHI-UONOGXRCSA-N 402.513 1.589 30 10 HDEE C=CCNc1ncc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)s1 1556996738 NNWJUKWBHUYYQD-NSHDSACASA-N 401.510 1.322 30 10 HDEE CC(C)(C)OC(=O)CC[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1557138922 HSTQTYLYCMEMCX-OAHLLOKOSA-N 404.467 1.714 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C(F)(F)F 1558511202 OLSYOWKFACSZOE-BONVTDFDSA-N 404.414 1.667 30 10 HDEE Cn1c(Sc2cc(C#N)c(Br)cn2)nnc1[C@H]1CCS(=O)(=O)C1 1559059074 UJECGWDVGINYIT-QMMMGPOBSA-N 414.310 1.898 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 1561733966 GPNUWQDGZAVNDW-UHFFFAOYSA-N 401.554 1.355 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1561782610 INRHVEYLFSSLFV-IBGZPJMESA-N 424.519 1.326 30 10 HDEE CC(C)O[C@@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 1564546942 COMQYAUNDOOLRY-WIYYLYMNSA-N 400.479 1.937 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCC1 1564547047 FUCCMYSHRRYVKO-QGZVFWFLSA-N 418.519 1.568 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)NC(C)C)c1ccc(Br)cc1 1564553467 VKGKKYZZBFQVDE-AWEZNQCLSA-N 417.329 1.255 30 10 HDEE COc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(Cl)c1OC 1565492038 YBWDJPLSDKKHJS-YVEFUNNKSA-N 413.883 1.437 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 1565814688 DUQQOFVCPSABHC-UHFFFAOYSA-N 412.519 1.327 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCO[C@H]3CCCCO3)C2=O)cc1 1569857519 ODRFHYUTDFMRAX-AEFFLSMTSA-N 400.435 1.423 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1570816824 IKUHUHMXIDROKJ-KRWDZBQOSA-N 419.547 1.507 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Oc3cccc(OCC#N)c3)CC2)cn1C 1583692567 QHTCRIAYKAZJNV-UHFFFAOYSA-N 418.475 1.637 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)CC 1587579459 GQBSXTNCGGRLRO-CYBMUJFWSA-N 406.468 1.251 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1587909868 WMJXILZPISGMLX-INIZCTEOSA-N 404.540 1.090 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588006397 LNYNRVOTGNDXQH-KRWDZBQOSA-N 406.490 1.523 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCSCC1 1588113698 QQNAHPJKVHWORR-UHFFFAOYSA-N 409.515 1.795 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1cccc(OC)c1 1588128581 PGOSQPCOLPKMDP-QFBILLFUSA-N 407.474 1.778 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1OCCC1(C)C 1588580961 AXHSNIPTZQOOAB-UWJYYQICSA-N 406.527 1.831 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1594839152 DHQFSDDFCYJIRJ-CQSZACIVSA-N 404.496 1.372 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2)CC1 1595530231 XNHMJSZFCFMSJZ-UHFFFAOYSA-N 406.494 1.307 30 10 HDEE C#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCC1 1596344385 NPULGDCHJLKHSZ-UHFFFAOYSA-N 403.504 1.215 30 10 HDEE Cc1c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cnn1-c1ccc(O)nn1 1596979241 YBNSUCXEWSBBDK-HNNXBMFYSA-N 404.434 1.660 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@H](O)C(=O)OC 1608061168 CFAHLLJCCBPSPV-LBPRGKRZSA-N 415.240 1.138 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1611635198 FCCNUFSBJNNCGD-CYBMUJFWSA-N 400.464 1.722 30 10 HDEE Cc1cc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c(C#N)cc1[N+](=O)[O-] 1612279439 VBKLOKYSEIFJDK-UHFFFAOYSA-N 421.401 1.730 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1614069605 AXTPXQDSXAUJKT-QGZVFWFLSA-N 407.478 1.058 30 10 HDEE CC(C)c1ncc(Br)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1616348154 VICGXAJOWRBDQA-DTQAZKPQSA-N 408.256 1.619 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1616665989 XYFPAPSOTSRILJ-BRWVUGGUSA-N 424.571 1.757 30 10 HDEE COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)ccc1C#N 1627185582 DZEOCQRDRBWMGT-QGZVFWFLSA-N 415.471 1.965 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CC2)C1=O 1628505661 HMQLOHNTTPRZID-UHFFFAOYSA-N 418.457 1.722 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCN3CCCC3)CC2)c1 1628798288 ZMCVCQKTFRCDEH-UHFFFAOYSA-N 403.548 1.337 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1628966456 OXXYNJSLYDMBCY-UHFFFAOYSA-N 400.567 1.981 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC2=O)cn1 1632533319 UHMZOBPXKAXIGQ-IJEWVQPXSA-N 416.482 1.038 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(OCC2CC2)c1 1632685551 NNUHYCPGJWPRLJ-UHFFFAOYSA-N 414.487 1.615 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN(C)c1ccccn1 1633065534 VUGNWCJORJWWDF-HNNXBMFYSA-N 401.492 1.263 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(CC(=O)NC)CCCCC2)c1 1633681850 HKOTWMSLHZEHQV-UHFFFAOYSA-N 407.536 1.967 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H](C(F)(F)F)O1 1633739374 SYYKHRUXQOCLRL-MFKMUULPSA-N 405.398 1.293 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)CCCOC)c1ccc(Br)cc1 1637662209 BBPXESCZGJRGHN-AWEZNQCLSA-N 403.298 1.196 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1638177143 NXEQBXIGLASQQS-YQTDRKPDSA-N 406.483 1.713 30 10 HDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1639631798 VZLZNYSIPMDGJB-MOPGFXCFSA-N 419.547 1.993 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](CO)C[C@H](OCCOC)C2)CN(C(=O)OC(C)(C)C)C1 1639874208 SCCQKKUTSGJQMM-IRXDYDNUSA-N 412.527 1.672 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c(-n2cnnn2)cc1OC 1639968234 CXBGQOMNZGAAIO-UHFFFAOYSA-N 405.842 1.741 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C2 1640058827 IMMIIYYAMWRMTL-UHFFFAOYSA-N 417.512 1.860 30 10 HDEE COc1ccc(C(=O)CC(C)(C)CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1640637276 XGKXPZKFZFNIOH-UHFFFAOYSA-N 424.457 1.902 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1641224258 KTSNCBXKMQHZQB-UHFFFAOYSA-N 414.487 1.363 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C2CCOCC2)nn1C 1643108596 GYCHDNRCXGORFP-ZDUSSCGKSA-N 417.491 1.491 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1647891144 IJHODTWGVCNZIN-KRWDZBQOSA-N 410.440 1.861 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(N(C)C)CC3)nnc12 1648852175 UWSOXBPRSRKWQR-UHFFFAOYSA-N 412.519 1.533 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(F)(F)C[C@H]2C(=O)OC)s1 1651040409 JRIBEKALIXQGSU-NSHDSACASA-N 408.448 1.164 30 10 HDEE N#Cc1cc(NCCS(=O)(=O)NC[C@@H]2CCCCO2)ncc1Br 1651533611 ZDRGYCUCLOSMKD-LBPRGKRZSA-N 403.302 1.616 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N1CCN(c2ccccc2O)CC1 1654152243 MIWFRKCMJRHQAV-QGZVFWFLSA-N 401.507 1.706 30 10 HDEE C#C[C@](C)(CC)NCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1654508523 MLXSOFGXLLZULS-HXUWFJFHSA-N 404.536 1.969 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1656388522 QHYIZINWOBXEML-GOSISDBHSA-N 423.473 1.220 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1665932554 DOSNLCALNPJGTA-SNVBAGLBSA-N 418.288 1.949 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCn2ccc(C(F)(F)F)n2)c1 1671287264 JIMQQKYXBFGBPN-UHFFFAOYSA-N 402.398 1.796 30 10 HDEE COc1cc(C(N)=O)ccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672248308 ADDBXUNQWGGYEX-QGZVFWFLSA-N 407.430 1.588 30 10 HDEE CC(C)C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C(=O)N1CCOCC1 1673887718 SRFZLECVABHYIN-OALUTQOASA-N 402.495 1.507 30 10 HDEE N#C[C@@H]1CN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCO1 1681143244 FGCNKAQPDLJRLN-HXUWFJFHSA-N 413.522 1.292 30 10 HDEE C[C@@]12CN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C[C@]1(C)CS(=O)(=O)C2 1684480022 DUMGRRVVRAOXRM-OYRHEFFESA-N 416.547 1.993 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)cc1 1684973064 DTZXGKXRYYXIGN-UHFFFAOYSA-N 400.523 1.925 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)C1 1685176875 FNGJHCNXTBUTOR-FQEVSTJZSA-N 413.566 1.556 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)C1 1685265005 YMNPFEKAEVCKFA-HXUWFJFHSA-N 411.550 1.667 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CC1 1686286121 IDLUJSLGOLMSQE-UHFFFAOYSA-N 404.410 1.779 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](Sc3ccccc3)C2)CC1 1687201516 FYZLYBDYIHEFGV-JCNLHEQBSA-N 408.549 1.105 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1689913920 XSCDLBMHNPYKJG-QGZVFWFLSA-N 422.599 1.756 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1689966643 YAYJEWVWWQEXOG-GFCCVEGCSA-N 413.425 1.712 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1690019599 MVBRFPYBEUWAHY-XMSQKQJNSA-N 405.458 1.342 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cscc1C 1690032987 NYLACOGXNGUVQY-HNNXBMFYSA-N 405.549 1.769 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@H]1C 1690095124 FOEKZTYICYKIDD-LQWHRVPQSA-N 406.527 1.689 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1690135606 ZPDGKUPNORXAAV-MDPIYQRISA-N 419.570 1.554 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1690266804 KBDWGNXZMZGSKG-KRWDZBQOSA-N 421.523 1.742 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)CC1 1690437914 SYZDRDSMNKZWQR-UHFFFAOYSA-N 424.571 1.084 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1690678068 JPKAKAAEKACQAW-MGPUTAFESA-N 407.515 1.236 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1692525510 RRHMLWGFPSSQMO-BFUOFWGJSA-N 423.493 1.771 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCOCC(F)F)CCN1C1CC1 1698493435 LWMVMSRTASNFJN-HNNXBMFYSA-N 403.437 1.798 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC=C)C1CC1 1705516947 LUJOIQCEGQBHHX-KRWDZBQOSA-N 407.540 1.569 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1705611411 CFFREPOQSGPQKJ-UHFFFAOYSA-N 421.505 1.776 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1705671934 CUEMKGYHJNTVCT-SIKLNZKXSA-N 411.554 1.908 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705831672 ZBURODWEJCPQHT-MOPGFXCFSA-N 410.522 1.819 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1705884871 ZMNARGKDVDVFFP-HZPDHXFCSA-N 414.597 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(CC)C1 1705898126 BLBCNXNYPLZFEE-NRFANRHFSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccoc1 1705898185 DHYAQICQEFIBLT-UHFFFAOYSA-N 419.449 1.452 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N 1706069334 AKZFAESVIRCQRN-IRXDYDNUSA-N 403.531 1.078 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(N(C)C)CCOCC1 1707909554 AFMCLNQYODZSEJ-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE CO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1711531085 YVLNBZDFLOALCY-NWDGAFQWSA-N 404.393 1.112 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1711943583 HRNPSSCZWOYUTF-IFXJQAMLSA-N 419.507 1.099 30 10 HDEE COC[C@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1712147638 FPUBTUATQDEJER-CVEARBPZSA-N 414.514 1.440 30 10 HDEE COCC[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712352874 RXAXDABPFVRYQH-DVSFIDLUSA-N 416.526 1.866 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@@H]1NC(=O)CC1(C)C 1712453990 FQELSDNRLHYSLE-CVEARBPZSA-N 404.515 1.801 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H](C)O1 1712845788 FQGLXNQUTMXBNE-GASCZTMLSA-N 418.523 1.322 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N1CCOCC1 1722277539 NGQZRJOOTINRBC-MRXNPFEDSA-N 419.489 1.652 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1722355230 RERMYVBTKFYITA-JKSUJKDBSA-N 423.514 1.317 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1722368618 TZYJYYPWRQGXLP-ZWOKBUDYSA-N 410.584 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc21 1722385799 OZLLIJNCGGQLFP-LJQANCHMSA-N 416.529 1.925 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccccc1CN1CC[C@H](O)C1 1722386398 WXYVZFIZTHKRQH-NRFANRHFSA-N 407.518 1.502 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNC(=O)C2CC2)CC1 1722434637 SXIREGBNSPDWNR-UHFFFAOYSA-N 406.534 1.789 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722451616 FJJWAHYZLLMXRW-KRWDZBQOSA-N 411.597 1.784 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1 1722508972 VJGVOWIHNSKPNY-PKOBYXMFSA-N 413.526 1.718 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C[C@H]1CC 1722696510 AQESRHYCSIUYAW-ZIAGYGMSSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1 1722698075 BQHUBSPUQCNXNT-OAHLLOKOSA-N 420.514 1.489 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)C1 1722712312 PPNMHOGGSGFTHP-QZTJIDSGSA-N 400.527 1.786 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cnccn3)CC2)n1Cc1ccc(C#N)o1 1723614307 GRUNDZMDMIEWRT-UHFFFAOYSA-N 421.465 1.046 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)on1 1726442601 GYGVQRXKASSZGD-OAQYLSRUSA-N 421.461 1.775 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1730872653 CYIZJJDHGXCQRR-BRWVUGGUSA-N 415.498 1.190 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1740609216 XKRNHTYJQYPKNA-HOTGVXAUSA-N 416.526 1.946 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1740709206 CUJHONWXUUWSTG-UHFFFAOYSA-N 403.556 1.769 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1740941150 CTSFARPXMDYVLP-SFHVURJKSA-N 424.509 1.835 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](C2CCOCC2)C1 1740961545 DWOFXJFYZASLJS-LJQANCHMSA-N 410.522 1.819 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOC[C@@H]1C 1740994355 QALVEZVWJSAHMA-KRWDZBQOSA-N 420.535 1.991 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1741132314 HCAPZUDZWTYTEK-QVKFZJNVSA-N 406.494 1.591 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1741271199 BVRKUDVOTOXPLE-MRXNPFEDSA-N 411.466 1.047 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1748772839 PYXUDQMWLBSENR-LBPRGKRZSA-N 412.903 1.085 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748817858 ROYYRWMEMNGPCY-KBPBESRZSA-N 418.466 1.038 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1748846312 FWRMCBSBPVFXSE-ZWKOTPCHSA-N 410.499 1.257 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1748907085 MWNSFEYCPRMXBP-GOSISDBHSA-N 402.543 1.211 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCS(C)(=O)=O 1748945441 SSQIFFFQGHQHAY-QGZVFWFLSA-N 420.510 1.996 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCSC2)CC1 1749001242 NITXQYKIXDCGOK-HNNXBMFYSA-N 418.567 1.135 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](CNC(C)=O)C1 1749028688 GJYKJSUOEXEIMZ-MRXNPFEDSA-N 417.510 1.792 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1749226169 NZSVNNCHIVVGNS-GOSISDBHSA-N 413.526 1.939 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749424625 LVJKZBFKNJLRGV-HXUWFJFHSA-N 410.482 1.516 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1749465110 NACQJTTUFLWPES-INIZCTEOSA-N 418.567 1.569 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749678157 XUBOUMGATQTEOX-INIZCTEOSA-N 412.494 1.135 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1749681208 YIMFDYVOMGOBAY-CQSZACIVSA-N 417.441 1.298 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749731874 MSPRHQJXGQUDFW-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)S[C@H](C)C1 1749733758 BLIWFCCKQVOBGQ-RBSFLKMASA-N 400.570 1.713 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1749955355 STDBUFXYGFBAEK-YWZLYKJASA-N 417.489 1.953 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760182890 MYUAVTRYTWEUGL-MRXNPFEDSA-N 421.567 1.623 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760183221 PGVZYWPTRIQZHL-DOTOQJQBSA-N 404.540 1.395 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 1760188667 LLVOEMVBSUMLSG-APWZRJJASA-N 423.608 1.220 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[S@@](=O)CC)CC1 1760269923 GYAWBIYZTGQDBG-NDEPHWFRSA-N 407.584 1.601 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760279474 AIMYVSYHHFPTKQ-PMPSAXMXSA-N 405.524 1.821 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760295419 SKWAXFAZBMWYDH-VDVXRXHMSA-N 424.505 1.691 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)C1 1760544092 VOGDABPBNQEDAV-UGKGYDQZSA-N 415.513 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCC2)C1 1760545412 UEUKUGYVZDQFOV-KURKYZTESA-N 402.543 1.742 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nnn(C)n2)C1 1760549314 BGSNXZJTIVPKEC-QGZVFWFLSA-N 424.509 1.827 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCOC(C)(C)C 1761482238 XMBSDESXODHSPR-CQSZACIVSA-N 412.560 1.833 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1761546092 NGRCBOQLBXHJBX-YCRPNKLZSA-N 413.526 1.445 30 10 HDEE CCc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763023078 WTZFVKWSEOFUMN-FFCCVRBZSA-N 400.483 1.372 30 10 HDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1766869623 DIRNFSIFXAFBRD-CVEARBPZSA-N 412.560 1.440 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1767605702 ZCNKNESGUIUKMN-VBKZILBWSA-N 416.482 1.477 30 10 HDEE COc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1769018166 BKWISQJXKZMSNB-DZGCQCFKSA-N 404.496 1.370 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)c1 1771343884 OSWXPLONKYCCOQ-INIZCTEOSA-N 419.507 1.240 30 10 HDEE CN1CCN(C(=O)CCC(=O)N2CCCc3nc(C#N)cc(Br)c32)CC1 1849288587 XPOUZRFPDPQJCI-UHFFFAOYSA-N 420.311 1.549 30 10 HDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 1851121813 CKUNHJVCFIXZHU-UHFFFAOYSA-N 418.450 1.256 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)c1C#N 1851705795 YRIDYQZKXDUNBP-MRXNPFEDSA-N 403.446 1.837 30 10 HDEE Cn1ccsc1=NC(=O)[C@@H]1C[C@H]1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852049850 QEOJYYFBJVNSDQ-IAGOWNOFSA-N 401.536 1.377 30 10 HDEE N#Cc1ccc(N2CCN(CCOCc3nnnn3-c3ccc(Cl)cc3)CC2)nc1 1852055959 ICTIYBSPUOYYMT-UHFFFAOYSA-N 424.896 1.921 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(F)cc(C#N)c(F)c1Br 1852609244 BWKCVDZUUMOJNJ-SECBINFHSA-N 408.224 1.961 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NCC#CCN2CCCCCC2)cc1 1852969984 WUNKTPJDTVCZSK-QGZVFWFLSA-N 407.536 1.358 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)n1 1853878169 ODLNYGSAZJZNDW-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4O3)C(=O)C2)cc1 1853889371 YGZTXBMVGGRKKQ-FQEVSTJZSA-N 405.410 1.252 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C1=O 1854156694 CTTHPVICTPQIHB-ROUUACIJSA-N 409.490 1.031 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(c4cncn4C)CC3)C2=O)CC1=O 1854341900 IEYJOSBPMLFUGW-MSOLQXFVSA-N 413.522 1.152 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccnc1 1854375483 WQNQEZHZOABSKE-UHFFFAOYSA-N 412.471 1.334 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3ccc(OCCOC)cc3)C(=O)C2)C1 1854393155 CGXAQCXRJRZJIY-IBGZPJMESA-N 401.507 1.647 30 10 HDEE CCS(=O)(=O)C1CN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1854886240 BRAPOSFMBCUCSJ-IBGZPJMESA-N 417.531 1.517 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCOC2)CC1 1855857279 KSGUORHMQIBEEP-CQSZACIVSA-N 403.460 1.063 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O 1856147677 SNZQBKPIVTUHPR-GOSISDBHSA-N 406.504 1.637 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccn2)C(=O)C12CCCC2 1856257769 IXCKXASUODQFIB-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@H](COc4ncccn4)C3)C2=O)ccn1 1856418375 QNLQRDNWQHGOFD-YJBOKZPZSA-N 406.446 1.275 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2cnc(C)s2)C1=O 1856721370 IUWMTJVUGMDNGZ-IAGOWNOFSA-N 404.536 1.620 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)C3CC4(COC4)C3)C2)CC1 1857244708 STSYXZJWWXTBSL-MRXNPFEDSA-N 408.502 1.934 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)CC[C@@H]3CCCO3)C2)C1 1857464753 FVTWWEWXNDJLHY-IRXDYDNUSA-N 412.490 1.741 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 1860994260 KEKZWMZEFXPLAX-QUCCMNQESA-N 409.486 1.391 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1cccc([N+](=O)[O-])c1 1862558117 PQMKLEJBBTWBGQ-GOSISDBHSA-N 424.413 1.891 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)O)c1 1866233709 JBKXRXZKNUILHN-CNUGWZBCSA-N 404.444 1.066 30 10 HDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CNc1ccc2c(c1)OCO2 1870904715 YWHZUQMDLIMEOJ-UHFFFAOYSA-N 416.430 1.944 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871646560 JHEKTCNFMLKOEF-UHFFFAOYSA-N 423.912 1.827 30 10 HDEE N#Cc1cc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 1882815723 YTFVKYFOSRUQGX-QGZVFWFLSA-N 417.443 1.638 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cn4ccsc4n3)CC2)CC1 1889370439 UTPHCLBKUBRGOC-UHFFFAOYSA-N 415.563 1.197 30 10 HDEE COc1ccccc1CCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890143629 CVWILPQIQYGVHW-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1891403399 LAXJJRBSTAIAQM-QGZVFWFLSA-N 416.441 1.637 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCNC(=O)CC2)[C@@H]1c1ccc(C#N)cc1 1891995642 XYSSTMVIEYZJOI-OALUTQOASA-N 400.504 1.300 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(Cn3ccnn3)C2)[C@H]1c1ccc(C#N)cc1 1892114939 QIHRECIAVGUOKZ-WOJBJXKFSA-N 424.530 1.702 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985098005 NUFKUODVXWINDP-ZDUSSCGKSA-N 411.308 1.306 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC(=NO)CC1 2042378034 OGLGAAOZSRSXRN-UHFFFAOYSA-N 407.492 1.955 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CCC[C@H](CNC(=O)OCc3ccccc3)C2)C1 2054406251 SYEFIGYCDDQPLK-QZTJIDSGSA-N 406.508 1.715 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2082045389 ZZWZGJOGRIVILP-RBUKOAKNSA-N 412.483 1.505 30 10 HDEE COC(=O)[C@H](CCNS(=O)(=O)c1ccc(C#N)s1)NC(=O)OC(C)(C)C 2118172710 XJPAVSZHIUCGRY-NSHDSACASA-N 403.482 1.354 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C)[C@@H](C#N)C2)C1 2124736956 NFOUQJCNZZDBQN-BBTUJRGHSA-N 400.479 1.469 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)C1 2172890933 CQTPDHQOZKVLBB-GJZGRUSLSA-N 401.529 1.608 30 10 HDEE COC1CN(S(=O)(=O)N[C@@H](C)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2186639157 YGOGJKCBEFQVDV-NSHDSACASA-N 402.347 1.273 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cscc1B1OC(C)(C)C(C)(C)O1 2235499454 GGEIBUTZQOBQFL-CABCVRRESA-N 401.359 1.291 30 10 HDEE C[C@@H]1CC[C@@H](CNC(=O)C(F)(F)F)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243380808 FNKRXHIPXVJQPU-OLZOCXBDSA-N 402.222 1.927 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243387465 UWIVISJKUBSVKQ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE C=C(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243676524 KDEXWMWOMZYRQV-ZDUSSCGKSA-N 411.308 1.401 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247254347 GHOOOSZOWAOFNG-JKSUJKDBSA-N 419.331 1.967 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247839113 SBFXWVLVHYTNRM-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](CN)C3)cc2Cl)OC1(C)C 2267356271 LASXCNNSDQOCBK-SNVBAGLBSA-N 406.766 1.670 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](C2OCCO2)C1 2282023560 OYOYSZNUHBMUCJ-CQSZACIVSA-N 405.304 1.427 30 10 HDEE CNCC[C@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282310814 ZDWMMDIIYPDKMW-LBPRGKRZSA-N 402.391 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CNC[C@H]1C 2282316513 DKYNMAAAIOKQGS-DGCLKSJQSA-N 400.375 1.490 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@]1(C)CO 2282341528 UAXQRSXHUZWKKK-YVEFUNNKSA-N 401.359 1.686 30 10 HDEE CO[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2282346181 MFXBQOSSRIZMAB-SNVBAGLBSA-N 415.264 1.903 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H](CN)C2)OC1(C)C 2282420490 ZYAQDYPLHGKRPO-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE CN(CC1CC(O)C1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502034 FTPGWWFKVSVWEI-UHFFFAOYSA-N 401.359 1.580 30 10 HDEE CN(C)[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506568 UIMREPXOCVTLAD-KBPBESRZSA-N 400.375 1.559 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512530 UDPVMDVYUGQNNP-NDHGSNPTSA-N 421.777 1.685 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282577498 GAOYMRNIPRBXIH-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)CCO2)sc1B1OC(C)(C)C(C)(C)O1 2282690510 XCZBUMFBPZARAO-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282832752 BZJIGJWQDVJJSU-SECBINFHSA-N 415.264 1.557 30 10 HDEE COCC(C)(C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835906 BZKFQYXQFJCYGU-UHFFFAOYSA-N 404.363 1.534 30 10 HDEE COC[C@](C)(CO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282842302 WBCGJHXIYTXMMB-INIZCTEOSA-N 405.347 1.031 30 10 HDEE C=C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282842842 DPQUAOJZKHLBIW-LBPRGKRZSA-N 400.331 1.159 30 10 HDEE C[C@@H](O)[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869441 CUBAMPPJHRHMHM-CHWSQXEVSA-N 401.359 1.580 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H]2CCCS(=O)(=O)[C@H]2C1)B1OC(C)(C)C(C)(C)O1 2282874161 WKXGVZKBWURGMS-KGLIPLIRSA-N 405.347 1.013 30 10 HDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@@]2(CN=c2[nH]c(Cl)c(C#N)s2)C1 2288172437 HMICXKXWLOEIHL-QGZVFWFLSA-N 413.931 1.824 30 10 HDEE CC1(C)OB(c2ccc3c(c2)CN(S(=O)(=O)C2CC4(C2)OCCO4)C3)OC1(C)C 2295336079 RFZZEOSIRFSZPK-UHFFFAOYSA-N 421.324 1.537 30 10 HDEE CC#CCN(CC(=O)N(C)Cc1c(Br)nnn1C)C(=O)OC(C)(C)C 2316117448 SQGPHFQEODBIRB-UHFFFAOYSA-N 414.304 1.796 30 10 HDEE O=C(O)CCc1nnc(S)n(N=Cc2c(C(=O)O)[nH]c3ccc(Cl)cc23)c1=O 2321663747 JFMHYNPPDNHWRK-UHFFFAOYSA-N 421.822 1.659 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)NC1CCN(CC#N)CC1 2364274872 XDVHVRQAOXQELE-UHFFFAOYSA-N 405.094 1.663 30 10 HDEE CC[C@@H]1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365195995 HTMZECOGOLQLJT-VCBZYWHSSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]2CCC[C@H]21 2365212711 SWRRTHGWCAMPNH-NRTGNBEESA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2)C1 2365408066 MKLADIAPSFWTLJ-KUHUBIRLSA-N 400.541 1.292 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC[C@H]1NC(=O)OC(C)(C)C 2367791760 ZSFZDFAPAMTSHX-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367830788 LVDAIKVRCHZVBS-LSDHHAIUSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(Oc2ncnc(Cl)c2C#N)CCCS(=O)(=O)C1 2368365356 ROBCGYPCXWSGJA-INIZCTEOSA-N 416.887 1.853 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 8015380 GSKASEPISJBAOS-UHFFFAOYSA-N 418.906 1.839 30 10 HDEE Cn1c(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)c(C#N)c(=O)n(C)c1=O 52162926 RZAOGXILDCXQIU-UHFFFAOYSA-N 408.384 1.450 30 10 HDEE C=C(C)COc1cccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCC)c1 66063021 DWJWJUWKJROWBI-SFHVURJKSA-N 403.479 1.724 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)cc1 109154571 MYICFMRAUKGVKD-UHFFFAOYSA-N 420.441 1.781 30 10 HDEE Cc1c(NC(=O)C(=O)NCC2(CC#N)CC2)cccc1C(=O)N1CCSCC1 430383023 GTCLAKRWZQVJES-UHFFFAOYSA-N 400.504 1.933 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3CCC(C#N)CC3)CC2)cc1 441007200 IGRCYXNBLNUCDB-UHFFFAOYSA-N 415.519 1.904 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447776513 IZJLELCQEUENNR-UHFFFAOYSA-N 419.510 1.309 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 461307695 KZMZULMNDAQUIO-UHFFFAOYSA-N 421.461 1.983 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1=O 468833749 FPECGVRDOZZSBF-UHFFFAOYSA-N 416.297 1.190 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472891496 OBVMUCIMRDOFOI-UHFFFAOYSA-N 400.414 1.035 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCN(Cc4ccccc4)C3)CC2)o1 474236921 XHRRLOILAAKBDN-FQEVSTJZSA-N 422.533 1.710 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCOC)[C@H]3CCS(=O)(=O)C3)cc2C1=O 481977191 ZANIBWZYOHUJRJ-HNNXBMFYSA-N 420.487 1.134 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccncc3)c2C(F)F)CC1 492847158 LOILYVFYKLDPSF-UHFFFAOYSA-N 404.421 1.265 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 505697401 HQNJTAQPPJUGER-KPFFTGBYSA-N 413.547 1.933 30 10 HDEE O=C(CN(CC(=O)NCC(F)(F)F)Cc1ccc(F)cc1)NCC(F)(F)F 507428993 MUHMWLTXAOFWCA-UHFFFAOYSA-N 403.298 1.985 30 10 HDEE COc1cc(N2CCN(c3nnc(COc4ccc(C#N)cc4)n3C)CC2)ncn1 508575088 ZURXTGNFIRDRQK-UHFFFAOYSA-N 406.450 1.391 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 514306022 GMQQMMODBWIZBB-UHFFFAOYSA-N 422.485 1.852 30 10 HDEE COC[C@@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 514492474 CVMDNEODZWKXAU-MRXNPFEDSA-N 419.506 1.553 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 515712633 LMONRBVPGUXQPQ-UHFFFAOYSA-N 419.555 1.330 30 10 HDEE COc1ccc(CN2CCN(CCC(=O)N(C)CCC#N)CC2)c(OC)c1OC 536583979 FZPRVDJJMSHJON-UHFFFAOYSA-N 404.511 1.592 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@H]2[C@@H]2CNC(=O)C2)CC1 537291860 YBSMAYQHQDKMBM-OKZBNKHCSA-N 415.563 1.448 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 541501326 NCYRZZKBFWKSLA-GOSISDBHSA-N 412.471 1.180 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 542264279 AHZFLHBYPGWLMX-IIBYNOLFSA-N 400.479 1.950 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 543311933 UOLFJSFZDKOPFO-UHFFFAOYSA-N 400.414 1.962 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543892735 YGGXTSLUPUJASC-CQSZACIVSA-N 422.898 1.943 30 10 HDEE COc1ccc(C)cc1N1C[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 545461486 JZQMVJLGOBIEQM-QGZVFWFLSA-N 419.485 1.972 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC)CC1 549104726 RENKGNITHTYNGB-UHFFFAOYSA-N 414.510 1.406 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 573289316 ZLFBKJXAZVKBSA-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE CN1C(=O)COc2cc(N(Cc3cccc(C#N)c3)S(=O)(=O)N(C)C)ccc21 586235906 CWSBAGCBSPKZSC-UHFFFAOYSA-N 400.460 1.726 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCO3)CC1 604174863 SMJURUXUVGVJLV-UHFFFAOYSA-N 408.886 1.241 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1c1cccnc1 609841231 IUAQWRRKHXBCFG-IERDGZPVSA-N 407.449 1.961 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)cn1 613152246 BFGAGPALODXTCP-UHFFFAOYSA-N 409.450 1.242 30 10 HDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2CCOC[C@@H]2C1 670202464 UOPPHFHOMFOMCL-IBGZPJMESA-N 424.553 1.549 30 10 HDEE CC(C)CN(C(=O)COC(=O)CSc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 728679339 CSJVVRPUWTXKOD-INIZCTEOSA-N 424.544 1.865 30 10 HDEE C#CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 729335805 URCRVWLZBOFDNL-HXUWFJFHSA-N 403.548 1.480 30 10 HDEE C#CCN(C(=O)c1cc(F)ccc1I)[C@H]1CCS(=O)(=O)C1 729335946 XTHWVIUGFMFLNR-NSHDSACASA-N 421.231 1.693 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Br)c(F)c1 732456263 FUWJNGZTHISKMC-PFONDFGASA-N 411.231 1.914 30 10 HDEE CC(C)(C)c1ccc([C@@H](O)CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 734944285 ATQQIKFYMSYDKC-NSURYPBFSA-N 400.479 1.843 30 10 HDEE C=CCn1c(-c2ccccc2F)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 735072780 HXOKFFYUWIAFDO-ZDUSSCGKSA-N 411.528 1.987 30 10 HDEE C#CCN(C(=O)c1cc(O)nc2ccc(Br)cc12)[C@@H]1CCS(=O)(=O)C1 737810401 OGQNPTDIKBDBQH-GFCCVEGCSA-N 423.288 1.965 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 757899167 SZGDRWMHWKSSGN-LLVKDONJSA-N 403.892 1.516 30 10 HDEE C#CCN(C(=O)N[C@H](Cc1nc(C)no1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 759871671 WEMRUJHHGFOUHC-DLBZAZTESA-N 402.476 1.494 30 10 HDEE Cc1sc2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(=O)n2c1C 760391619 XQVFVIHRCYGINC-UHFFFAOYSA-N 408.505 1.907 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)OCO2 767628982 SWYMUHXLCRYXJX-LBPRGKRZSA-N 416.411 1.380 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 767702307 GSZZFZIKAUMVCO-OAHLLOKOSA-N 410.492 1.792 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCF)C1=O 767740961 XXFROTUTBFCQRF-OAHLLOKOSA-N 423.514 1.145 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 768007742 FWHGQHCOKSMGCX-AWEZNQCLSA-N 423.472 1.710 30 10 HDEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 774217420 FPWFVHONDAWJQE-GJZGRUSLSA-N 401.529 1.368 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)cc1 776673716 SMDGZFANRDEULX-SFHVURJKSA-N 400.456 1.852 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1 777427792 KFGRQJVUWPKGCS-UHFFFAOYSA-N 406.487 1.281 30 10 HDEE COc1c(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c(C)nn1C 778846993 FVTQBYIFWOTFBD-HNNXBMFYSA-N 406.464 1.517 30 10 HDEE COc1ccc(C[C@](C)(O)CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1OC 793906018 GZILOOVWBAGUGW-PJJVALNESA-N 417.462 1.030 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCC2(O)CCOCC2)C1=O 795184691 QSBPACGBRVJUSS-MRXNPFEDSA-N 416.503 1.557 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(C#N)ccn2)ccc1Cl 803850403 JUYAISNHQCKAFF-UHFFFAOYSA-N 422.850 1.652 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)ccc1C#N 810866499 DURLESKJXUSGDL-JOCHJYFZSA-N 406.442 1.959 30 10 HDEE C#CCN(CC#CC)C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 813026285 RQBYIUPQUWPVGI-VXAPCQRLSA-N 412.489 1.951 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 816290140 MHTCLJFKGQVQCV-UHFFFAOYSA-N 417.516 1.513 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(C(C)=O)C1 816638746 WNGIIKSFBFNDLW-WBVHZDCISA-N 420.535 1.269 30 10 HDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3ccccc3OCC3CC3)c2=O)CC1 920397303 IWRQOAYASDBMLB-UHFFFAOYSA-N 420.538 1.992 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4ncc[nH]4)CC3)C2=O)cc1 1116066212 XTLDBHQAGPOVPG-QGZVFWFLSA-N 406.446 1.893 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1129605133 PMCAPXYYQRPXKO-OAQYLSRUSA-N 421.388 1.450 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CCO2)cc1 1134507365 SPYSOWDRFMRWHS-SFHVURJKSA-N 420.381 1.663 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCN2C(=O)CCNC2=S)CC1 1135762387 IBEJZBQEBCCTPE-INIZCTEOSA-N 403.483 1.031 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)co1 1135762699 PSMSUIYYEFGJRE-INIZCTEOSA-N 406.439 1.381 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCC(=O)Nc2ncccc2C)c1 1141861402 YQLLRXXWTHRDLV-UHFFFAOYSA-N 402.476 1.613 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1143538535 WVKOEZKZMGBQCZ-UHFFFAOYSA-N 409.446 1.282 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)cc1 1149507629 FHZVHRRTWQYWGR-UHFFFAOYSA-N 422.869 1.961 30 10 HDEE CCn1c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cnc1Br 1154386770 LIQLBLZLTYOEIV-UHFFFAOYSA-N 406.288 1.542 30 10 HDEE Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1156669696 GQFLQVTYGLHOCV-KSSFIOAISA-N 417.516 1.269 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C(=O)OC)CC[C@@H](C)CC2)s1 1165846696 ZYWGXZVWUINJPK-KTXOBNNYSA-N 414.549 1.993 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ncnn2C)CC1 1176801505 YQACBSJDBPBTDJ-ZDUSSCGKSA-N 413.906 1.661 30 10 HDEE N#Cc1ccsc1NC(=O)CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 1195872832 DVDORWJCCGKVAI-UHFFFAOYSA-N 419.532 1.210 30 10 HDEE CC[C@](C)(C#N)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1279984711 JKDHWRBIZFTOQP-HXUWFJFHSA-N 407.515 1.743 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286324325 MDJINOYTGGDDTK-LJQANCHMSA-N 416.570 1.622 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)N(C)C 1286380929 ITSMAEHTPXPXAA-UHFFFAOYSA-N 405.524 1.380 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1286391767 GEPSKCRVJXBZEO-HZPDHXFCSA-N 404.492 1.440 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392486 HHXPOERBXOCMQB-SJORKVTESA-N 408.568 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCOC1 1286456919 AJAZUAOFIVOXAC-JOCHJYFZSA-N 410.518 1.986 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(COC)CCOCC2)CC1 1286482807 ZYYDJAMDDCVPEF-UHFFFAOYSA-N 424.549 1.462 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286503946 KXOBGXFSZFKYDT-HNNXBMFYSA-N 413.503 1.961 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286607276 NPBQKENYBORVEL-GOSISDBHSA-N 412.498 1.583 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(S(C)(=O)=O)CC2)CC1 1286636888 MXEOFPIDVFAERZ-UHFFFAOYSA-N 416.507 1.659 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2F)n1 1289207668 UUZAXVDGBUMUBU-KXBFYZLASA-N 402.451 1.639 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n1C 1300163360 QUTAGAHHRSDETK-INIZCTEOSA-N 419.530 1.749 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 1300381207 POXQGIXBQYZGJE-QGZVFWFLSA-N 411.572 1.692 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300482606 GFUISVJJRAZPEJ-WMZOPIPTSA-N 418.567 1.785 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1300526980 RZHGAKUOCQGXPF-UHFFFAOYSA-N 422.514 1.247 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1300537330 DWFFGPJVGHYLCG-INIZCTEOSA-N 414.487 1.016 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1300625713 KNZGUSPMCYRPBW-GOSISDBHSA-N 406.527 1.844 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCOc2ncccc2F)CC1 1300703594 LYXMMOAUFCVSLZ-UHFFFAOYSA-N 421.480 1.632 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1301521095 ZTGIWZKLNOSEEK-HDMKZQKVSA-N 418.542 1.166 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C[C@@H]1O 1302838273 FOWLBSRVQOBXRF-BEFAXECRSA-N 420.473 1.933 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1303901593 XAGOCDQIFUPJTE-CYBMUJFWSA-N 405.505 1.640 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2(O)CCOCC2)cs1 1304665135 ZGJZMLGSPUIJAI-UHFFFAOYSA-N 402.524 1.915 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1308067746 JZZDMVCILRSLBE-SFHVURJKSA-N 417.531 1.067 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCSCCCO)CCOC1 1314113737 PHUYDEGMCMWQED-ZWKOTPCHSA-N 413.519 1.488 30 10 HDEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1315953672 HYIVKMCTODIYCS-CXAGYDPISA-N 416.523 1.393 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358961049 QRPPDSVFJCWSSP-SOLBZPMBSA-N 417.535 1.335 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCSC1 1358986511 YHRBSIHETLNZHP-UXHICEINSA-N 404.536 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1OC 1359021005 YLFUNEVZXOPRNO-UXHICEINSA-N 409.490 1.954 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1359037932 DOHFLLGSWKSWBU-OALUTQOASA-N 414.554 1.361 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1359067462 OKJORQGRCINSRG-HXUWFJFHSA-N 414.897 1.844 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1359123859 SXXKDDZHISERFY-LJQANCHMSA-N 416.507 1.877 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1359230230 KNEDRCSGSRBQIO-UHFFFAOYSA-N 408.503 1.332 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1359303591 UNWGUQNIIVSIDW-GOSISDBHSA-N 410.478 1.103 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359721776 FFAGKJYUHNPEJV-DOTOQJQBSA-N 400.458 1.614 30 10 HDEE O=C(NCC#CCO)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1448433579 DIBJAMWLIGUPKT-IBGZPJMESA-N 402.447 1.053 30 10 HDEE COc1cc(OC)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C=O 1448842891 JGLTXUAFZNLURV-GOSISDBHSA-N 407.426 1.919 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(C)cc(C)c(Br)c2C)CC1 1449064345 VSCKZGRTVLMBNX-UHFFFAOYSA-N 406.324 1.882 30 10 HDEE COC1(OC)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1O 1452109698 BREJPERAYDWZRF-XJKSGUPXSA-N 407.854 1.147 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)ccc12 1454210769 YLTXYTPAOXRQFV-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1nn[nH]c1C(=O)OCC)C(=O)OC(C)(C)C 1455642318 VSUAMPMJTQBDMJ-CYBMUJFWSA-N 405.455 1.515 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H](C(=O)OC)c2ccccc2OC(F)(F)F)CC1 1460791006 STOLHTZIKOPURR-KRWDZBQOSA-N 413.396 1.166 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1467890494 VBQKQLNHBWKBHU-GOSISDBHSA-N 424.906 1.860 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1468144273 HLNYRBSYNUCHPG-OWYHZJEWSA-N 408.520 1.394 30 10 HDEE CC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1nc(C(F)(F)F)cs1 1469022237 AUSVAVVPHKHJRJ-SECBINFHSA-N 416.385 1.746 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN(CCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1472191943 NPWCFJVOBVILKL-SVFBPWRDSA-N 401.532 1.338 30 10 HDEE Cc1coc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1492635803 ATOJNCFUTSDVKM-UHFFFAOYSA-N 406.446 1.923 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507757647 WKYQVEZMWJHMEQ-CALCHBBNSA-N 404.467 1.924 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCS(C)(=O)=O 1507975574 RIUNCSMLGJHTIK-UHFFFAOYSA-N 422.507 1.400 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1508095756 SRJBCLYLVNCMHF-UHFFFAOYSA-N 418.586 1.860 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN2CCN(C(C)=O)CC2)C1 1508124525 PIXXILIPOSVGPS-LJQANCHMSA-N 402.543 1.491 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CCO1 1508373338 ATPOOGCWYZTUTD-SIKLNZKXSA-N 424.505 1.727 30 10 HDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)n[nH]1 1511562670 DDEOCMDWYWUIQK-CYBMUJFWSA-N 405.466 1.153 30 10 HDEE CCCCS(=O)(=O)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1516206628 ZKMWGJNDIXNKCO-MNDPQUGUSA-N 415.537 1.653 30 10 HDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1516461565 BAUDFMBTWKAMJI-UHFFFAOYSA-N 405.462 1.865 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1517123687 DNGHVDVRXJNKBB-QGZVFWFLSA-N 407.478 1.187 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C1=O 1517404309 BRDCSCMCZYKQPN-NRFANRHFSA-N 404.478 1.628 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1519260252 PWXMWVDTDDYNRJ-UONOGXRCSA-N 402.455 1.182 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCn2ccnc21 1519329940 XILZTDWJQQQZDA-IKGGRYGDSA-N 415.498 1.505 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1521062816 JYZTVBRKYGTOMX-AUUYWEPGSA-N 402.430 1.637 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521136433 FLFZZDNMXCAHAN-WMZOPIPTSA-N 412.469 1.443 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 1535417075 FTANFXKYOSXHHK-JOCHJYFZSA-N 422.441 1.522 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1=O 1536663144 IEKCRBJAEVPOGL-FQEVSTJZSA-N 418.453 1.655 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1538970578 COMLTSVLXTYNER-GVDBMIGSSA-N 418.567 1.871 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539087723 YNRHQNHGYXOZBF-UHFFFAOYSA-N 404.515 1.192 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1539155091 SOIJIPWLUJYTGR-PXNSSMCTSA-N 404.511 1.931 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1539195307 UJWBDOFXUFYCRV-UHFFFAOYSA-N 418.519 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(N(C)C)nc2)CC1 1539481715 DQSCXBMJBVGNSB-UHFFFAOYSA-N 423.565 1.952 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)COC)CC1 1539926616 QSDCHTREJGVHFA-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1540004639 CQXYZKCMFOGNBZ-KRWDZBQOSA-N 416.551 1.868 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C 1542624440 DCNSLOJAMQCEHQ-RHSMWYFYSA-N 403.479 1.852 30 10 HDEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1547072726 BRMSPFNQPYSAII-QGZVFWFLSA-N 403.531 1.410 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)c1 1555004069 MBZRRISYNKRRMT-FQEVSTJZSA-N 402.474 1.974 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555149112 XRYDNCPGKONFMH-SJORKVTESA-N 423.477 1.420 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(Br)nc3O)CC2)c1C#N 1556217215 STICEXKRFPFBAY-UHFFFAOYSA-N 405.256 1.426 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)CC1 1560179716 QGUHFPOQGMBIIC-XMSQKQJNSA-N 404.555 1.533 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)C1 1561913348 ROZLPOGACUDXIT-INIZCTEOSA-N 417.535 1.467 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1564846750 BUMBZKGXUFIPSD-UHFFFAOYSA-N 408.543 1.753 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1584376974 ZIOBKUOODFDOSO-BBWFWOEESA-N 409.446 1.033 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@](C)(C#N)C1 1585431818 LZCDMFHVAGAEPC-WBMJQRKESA-N 415.309 2.000 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1585440570 IFNINRCZYNCRCC-OAQYLSRUSA-N 405.414 1.432 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc(I)c([N+](=O)[O-])c1 1586904960 YUTJOJFCWGBSER-ZDUSSCGKSA-N 402.192 1.773 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1587305225 FNXRWBKHJFCCND-CABCVRRESA-N 411.499 1.516 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1587663018 SVLRIBVFWIMMCU-INIZCTEOSA-N 422.489 1.863 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)Cc2ccccc2C1 1587898073 FUUKMQXKPNFCHU-UHFFFAOYSA-N 406.534 1.683 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1587988997 DVHXMKOXOGTACF-QGZVFWFLSA-N 421.498 1.062 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCn1cncn1 1588214283 OQQGGHHNDZMCRI-UHFFFAOYSA-N 411.473 1.885 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1([S@](C)=O)CC1 1588604365 HXPBDSQLYVVWJZ-MHZLTWQESA-N 407.927 1.991 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1C 1588628612 LQHVXRSWIQDKFJ-JKSUJKDBSA-N 415.494 1.764 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1588646640 LLBLCPUIBFYAKE-HOTGVXAUSA-N 412.581 1.409 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCC)CC1 1588806220 JVSFMVXFKUYVRC-OALUTQOASA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCO[C@H](C)C2)CC1 1588877065 UDGGBUZQFSVIBF-FYQPLNBISA-N 417.554 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN2CCCC(C)(C)C2)CC1 1588946698 HOSZSWXGGJLXMR-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC(N)=O)C1 1593873104 QVMNNAJWMPELTO-GFCCVEGCSA-N 406.874 1.850 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1594567954 UIWLXMBIGATXQP-HOTGVXAUSA-N 422.559 1.678 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCC 1595545260 UADFZRFXKYAKDA-UHFFFAOYSA-N 412.542 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595804643 DQJQRAOXZBCAQQ-UHFFFAOYSA-N 409.556 1.280 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1595822743 JWDKMQCRFNDNOH-UHFFFAOYSA-N 423.583 1.670 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3nnc(C)s3)CC2)cc1 1596816254 USKVKZHZJREIFW-UHFFFAOYSA-N 407.521 1.273 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1603683038 MEEQAZDQOZHQQI-GOSISDBHSA-N 401.559 1.815 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC(=O)N1C 1612980712 NXZFZECCIJWALI-JTDSTZFVSA-N 424.505 1.821 30 10 HDEE Cn1c(N2CCC[C@H]2COc2ccc(Br)cc2)c(C#N)c(=O)n(C)c1=O 1613005237 VRYCDYWXNXPNDL-ZDUSSCGKSA-N 419.279 1.766 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1613086354 JPJLOYVEYJIMJE-UWJYYQICSA-N 411.510 1.536 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1614071787 SYVUZHZIMWQXRM-KSZLIROESA-N 410.478 1.071 30 10 HDEE O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc2c(c1)OCO2)[C@H]1CCCO1 1614175092 AGQLBYKLDDMWLY-QHTDQSPISA-N 424.500 1.191 30 10 HDEE CC/C=C\Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614283796 WRBQINWCDHSUCU-KEGWNNHHSA-N 423.525 1.436 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2Cc2ccc(C#N)o2)CCOC1 1616154089 JCSOVIVSQJIKTM-FQEVSTJZSA-N 411.466 1.813 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](S(=O)(=O)NC)C3)n[nH]2)c1C 1617226135 QGJNVDQQUNFTLF-CQSZACIVSA-N 406.512 1.230 30 10 HDEE COCCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1620074194 KRVCFGUNIJMOTF-RCCFBDPRSA-N 421.542 1.979 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)nn1 1623237651 GRFTWCQWUNAOLE-UHFFFAOYSA-N 419.873 1.257 30 10 HDEE C[C@@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 1627134752 IVHGDEZWXTUILY-ZWKOTPCHSA-N 409.575 1.963 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(F)c2C)CC1 1628147203 ZMPLZQJUACKXQQ-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCS(=O)(=O)C3)C2)C1 1629553417 CGIKWJHMVWCSJI-MLBPIDQTSA-N 411.524 1.324 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N(C)CCO)cc2)s1 1630663486 RDCMIWCIPPYUJU-UHFFFAOYSA-N 409.533 1.822 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(OC3CCCC3)c2)CC1 1632961093 SZUQVFWBQDFKCX-UHFFFAOYSA-N 419.547 1.552 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(O)(COCCO)CC2)CCCN1C(=O)OC(C)(C)C 1635151724 PTNBFJBQXLSFQB-NRFANRHFSA-N 410.511 1.142 30 10 HDEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN(C2CC2)C1 1637865496 LFJNQXDANCGGIJ-HNNXBMFYSA-N 404.536 1.448 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1639240821 RKSHUDCMSFILTH-JKSUJKDBSA-N 405.476 1.867 30 10 HDEE C#CCN1CCN(C(=O)Cn2c(C)nc(Br)c2Br)CC1 1641440961 ABFMQLHYDGHMIK-UHFFFAOYSA-N 404.106 1.494 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1644587583 NYFHOSBBHLTOAN-MJGOQNOKSA-N 421.453 1.874 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1644620339 HAZYILFEOGKQDD-UHFFFAOYSA-N 423.311 1.322 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 1648577190 WQUREVPYPLVIIU-OAHLLOKOSA-N 401.858 1.023 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1660547016 YGAWTDLVEXSUQS-LJQANCHMSA-N 417.531 1.210 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCS(=O)(=O)C2)cc1Br 1661296169 GLGVFXNWRWLQSO-MRVPVSSYSA-N 411.274 1.173 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 1668671166 PWLVSGXCXQGBPA-ZDUSSCGKSA-N 413.569 1.296 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3Cc4cccc(C#N)c4C3)C2)cc1 1682368538 BCDSDDZTYKJDKE-UHFFFAOYSA-N 412.471 1.665 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1683324110 QTVZVDOUGRIQMQ-GZMOKQHVSA-N 416.547 1.334 30 10 HDEE C=CCn1cc(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)nn1 1683483247 RRSFEIFWPZPBMF-UHFFFAOYSA-N 419.493 1.844 30 10 HDEE COC1(OC)CC(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1685731720 ATZYVJLCJPEPQO-UHFFFAOYSA-N 412.494 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1689828308 NEVWQQWPVPKUJY-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689833645 OCIWWTQNQHLLRM-ACJLOTCBSA-N 408.911 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1689855139 OYADVHHMZWTLFJ-HNNXBMFYSA-N 407.478 1.547 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1689999942 NEPRAFKTJWSLMC-ZFWWWQNUSA-N 420.564 1.530 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C 1690003824 ZCUDHJIZIJJYHT-QFIPXVFZSA-N 415.538 1.696 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN(C)c1ccccc1 1690025394 OVEMQXJSUZFQFX-UHFFFAOYSA-N 404.518 2.000 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ncn(C)n2)n1 1690108436 YTILGZHFWYOHIR-UHFFFAOYSA-N 411.514 1.235 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC)CC1 1690115140 UISLUUSPZKNOEM-UHFFFAOYSA-N 401.536 1.904 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1690133297 AWIXEHXXDHNPHD-UHFFFAOYSA-N 423.496 1.842 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)NC(C)(C)C)CC1 1690150332 DCSXBRVFJNSSFK-UHFFFAOYSA-N 414.554 1.501 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690154480 OXIKFMLIBSDMFK-INIZCTEOSA-N 420.583 1.668 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1 1690675782 FEPPGSMGNNJXAX-UHFFFAOYSA-N 413.457 1.668 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 1690682802 ZKDMTBWUEFYWAB-IRXDYDNUSA-N 424.505 1.544 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1693981355 GFEIPBKRRKFCOC-GJZGRUSLSA-N 414.601 1.909 30 10 HDEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1698220831 MBRHQLRCNHKLRD-SFHVURJKSA-N 403.418 1.030 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1705553219 NJBNCJOMPJSZEX-SJORKVTESA-N 412.494 1.274 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705568999 BROZNMVZAOVONO-JWIGPWBQSA-N 424.592 1.159 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(OC)CCOC1 1705626191 LVROYXVAWASXJZ-OAQYLSRUSA-N 400.479 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccnc1-n1cccn1 1705627007 QSPPVAVMDBRZHD-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705739262 AIHUNIBIQPTDOJ-MSOLQXFVSA-N 413.526 1.447 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705805862 QAKSYRIFGNKXIC-LSDHHAIUSA-N 416.569 1.160 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1705890906 OVPIPEPRUCIDOP-KGLIPLIRSA-N 408.503 1.473 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1708209436 HZOFHQGTFCNWJM-STQMWFEESA-N 407.521 1.635 30 10 HDEE COCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712393809 XSJPOFDSYBOAQA-UHFFFAOYSA-N 405.466 1.365 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722322662 VXEDEJRTMGHTKX-LJQANCHMSA-N 413.570 1.144 30 10 HDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722336960 TUIQMGSFYRIDHM-UHFFFAOYSA-N 400.527 1.207 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1722353859 UYLGUWSOTDCTCC-OAHLLOKOSA-N 412.460 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccn1C(F)F 1722371169 TVHSHNCYBLDWRK-UHFFFAOYSA-N 410.388 1.638 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(Cc2cccnc2)n1Cc1nnn(C)n1 1722422983 UHROEJGQSWSDGC-UHFFFAOYSA-N 417.452 1.615 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCC1 1722679735 KORUOBZPHSZKPA-UHFFFAOYSA-N 403.483 1.950 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2[C@@H]1C 1722701746 BVJABRPWPZPQTO-INIZCTEOSA-N 408.506 1.826 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CC1 1729793006 AHVVKSILGIYSNM-OAQYLSRUSA-N 410.478 1.866 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C(N)=O)CCCC1 1730274748 BPVAWYKGJMBYRJ-HNNXBMFYSA-N 410.478 1.728 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COc1ccccc1OC 1740285670 CYZBIGODNYRLNW-ZBRFXRBCSA-N 400.475 1.913 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1740543159 KAGONFBGNMQRFP-CQSZACIVSA-N 411.462 1.414 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1740552995 PYSQBWFQJSZATN-SJORKVTESA-N 407.584 1.760 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740793616 UVMSCENWGTXKLC-BBWFWOEESA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1740958030 HFDNLPXSZXBATL-VXGBXAGGSA-N 400.405 1.310 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1741132395 HSSQYKZLPUFDNY-CQSZACIVSA-N 402.524 1.717 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1742984289 ONDJZWCCEVPROM-MMYRVIJDSA-N 424.509 1.830 30 10 HDEE CCC(CC)c1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)on1 1744003322 DSVFWXKDUKPUMI-JKSUJKDBSA-N 413.482 1.898 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1745232177 ANILWLAHFDCCGS-QRWLVFNGSA-N 417.535 1.991 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1748677109 CPXFLIAIQKDINY-MRXNPFEDSA-N 411.506 1.618 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748811511 IDJCZQBEQPLKGN-SJORKVTESA-N 417.535 1.782 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1748888034 MINUMGBHFPKNMG-LJQANCHMSA-N 414.473 1.321 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1748989606 NVJQCSVQSNYEJC-UHFFFAOYSA-N 415.630 1.648 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749033677 MJPNLGIIHSINKO-UHFFFAOYSA-N 416.595 1.656 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749097606 FFDPZZKFNOLYJU-STQMWFEESA-N 423.315 1.339 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(c2ccccc2)CC1 1749683608 ZGVRCUUYEAVVMO-GOSISDBHSA-N 411.506 1.920 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749709382 OZPAPXXHTHVLSU-RJCBAWPRSA-N 412.494 1.853 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1760147773 YCGPOYKPBRPROB-OAHLLOKOSA-N 415.519 1.429 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1760157951 ANNREHHVXVNGPJ-UHFFFAOYSA-N 412.494 1.741 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCC[C@@H]2CO)CC1 1760261588 NZCSHGVYHYIMGX-JOCHJYFZSA-N 422.577 1.601 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCC[C@H](C)C2)CC1 1760268175 DVQCYSOTTXKLLX-SFHVURJKSA-N 423.565 1.971 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760294663 CYODHTXHZQRPBW-VQIMIIECSA-N 422.551 1.104 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1 1760324300 JLTNRAOKVDCSPL-LPHOPBHVSA-N 416.526 1.083 30 10 HDEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1760474741 FYSCBCISDOVVPS-GOSISDBHSA-N 408.549 1.635 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760526560 BYXKUBGNPRNRLL-FQEVSTJZSA-N 402.499 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](C(F)(F)F)C1 1760558269 KVVNQEBTWPQRGU-LBPRGKRZSA-N 412.434 1.183 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1760695505 IMLWJRMEUVTBQE-BZUAXINKSA-N 412.485 1.734 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1766986578 ZKFJFNLZMBSNEK-FMQUCBEESA-N 407.478 1.779 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OC)C1 1768280923 JEPIRKURZATWQN-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccs2)C1 1771528779 DQLHHMYMUDQLTA-UGSOOPFHSA-N 404.471 1.715 30 10 HDEE N#Cc1ccc(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCNC(=O)C2)o1 1771533481 MWHBDSGRRICXGU-UHFFFAOYSA-N 416.239 1.485 30 10 HDEE COCc1c(C(=O)NCC#Cc2cccc(OC)c2)nnn1-c1ccc2c(c1)OCO2 1851070219 QCBABZCLOZBTIQ-UHFFFAOYSA-N 420.425 1.933 30 10 HDEE CCN(CC)CC#CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1851103158 HDVUNGMYJJBYKG-UHFFFAOYSA-N 410.540 1.154 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)OCCN1CCN(S(C)(=O)=O)CC1 1851553868 RABVHVKCCPXPHR-UHFFFAOYSA-N 416.931 1.295 30 10 HDEE N#Cc1ccc(NC(=O)CCCN2CCS(=O)(=O)CC2)c(Br)n1 1852001960 ZSEIDGKNJUHRHB-UHFFFAOYSA-N 401.286 1.165 30 10 HDEE Cc1ccc(OCCN2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)CC2)nn1 1853256796 KHNXXGHHRXJBGR-UHFFFAOYSA-N 409.446 1.151 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc2N1CCC#N 1853970346 VQTLXVHBAKHBPD-AWEZNQCLSA-N 416.503 1.482 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2snnc2CC)C1=O)[C@@H]1CCN(C)C1=O 1854101357 VEBWHJFXXCWIGY-LSDHHAIUSA-N 405.524 1.341 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854110487 MQQXSNNGJFJMDP-GOSISDBHSA-N 415.515 1.129 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@H]1C 1854282580 LNLKIEBENGDVCZ-CVEARBPZSA-N 423.510 1.472 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854420792 BGJKBOGOJGZBEP-UHFFFAOYSA-N 405.476 1.536 30 10 HDEE COCC(=O)N1CCCC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854487789 ORNURVCTGKACGF-SFHVURJKSA-N 400.479 1.598 30 10 HDEE CCN1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)C(=O)C1 1855298351 YUBAWVCBIWTXLM-UXHICEINSA-N 414.531 1.642 30 10 HDEE CCn1cc(C(=O)N2C[C@H](CN(C)CCC#N)CCC2=O)c(=O)c2ccc(C)nc21 1855620554 LJEWFBNLFYPEMS-INIZCTEOSA-N 409.490 1.949 30 10 HDEE C=CCN1C[C@@H](C)C(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 1856060910 KHURYFIEOORVGG-OAHLLOKOSA-N 405.520 1.860 30 10 HDEE CC(C)S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCC2 1856466097 LURCHODAHXNPBB-UHFFFAOYSA-N 403.504 1.823 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cn3ccc(C)cc3n2)C1=O 1856734912 AURVWESVFJEJCO-MSOLQXFVSA-N 409.490 1.493 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@@H]3OCCc4ccccc43)CO2)cc1 1856769244 YKKRFIRWAVYMCG-QFBILLFUSA-N 414.439 1.720 30 10 HDEE CCN(CC)CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1857030218 XOANOVSSMMWZFL-UHFFFAOYSA-N 420.535 1.758 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1857387200 FYNVXYWQRDDWOB-HKUYNNGSSA-N 400.523 1.921 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858335471 NLWRDZUYFGILMY-AWEZNQCLSA-N 411.443 1.333 30 10 HDEE CCCCN(C)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870034532 NLCUMZOJFCZGIM-MRXNPFEDSA-N 416.507 1.998 30 10 HDEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870387096 PXJNGXCIFYXRNA-UHFFFAOYSA-N 410.518 1.871 30 10 HDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCC(O)CC2)cc1=O 1870562516 JZKDKHQRRZLYCF-UHFFFAOYSA-N 412.486 1.905 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)N2CCC(O)CC2)sc2c1CCC2 1872678535 AUTWDOXZQYBXEC-UHFFFAOYSA-N 417.447 1.106 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)cnc2s1 1891143553 DDFVOJJGELELPG-UHFFFAOYSA-N 409.475 1.467 30 10 HDEE COc1ccc(N2C[C@@H](NS(=O)(=O)c3ccccc3C#N)CC2=O)cc1OC 1891354219 COKVEULQMSLDIK-AWEZNQCLSA-N 401.444 1.659 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908253903 CEYGFAPCECJQEK-ZQDZILKHSA-N 422.331 1.907 30 10 HDEE N#Cc1cc(Br)ccc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118195797 ZHNOIFDPDLKWIX-MWLCHTKSSA-N 419.201 1.679 30 10 HDEE CC1(C)CCCN(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2166420414 LHGVDZFXKAPTBG-UHFFFAOYSA-N 402.351 1.038 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 2183037625 KTFPVEBONFUFOS-UHFFFAOYSA-N 415.537 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 2183270660 IEQSQMYKLCSNGU-UONOGXRCSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 2183270675 IOCQOCYGGXZFMP-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 2193223561 FPKUKLBGGJGAJN-XHSDSOJGSA-N 402.442 1.729 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@H](C=O)C2)S(=O)(=O)C(C)(C)C1 2197734120 IJRGUAATSLDDJV-KBPBESRZSA-N 402.513 1.237 30 10 HDEE C[C@@H](NC(=O)Oc1c(N)cc(C#N)cc1I)S(C)(=O)=O 2203122893 KGGBGVYCLOFDLZ-LURJTMIESA-N 409.205 1.224 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243405488 HGKHWDWAUJGBBS-LSDHHAIUSA-N 403.288 1.776 30 10 HDEE C[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243493301 SCGFQTWQLBPABM-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247841839 XUYBQEYJLVRLOH-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2247923318 WOVOBUHONMFORD-BETUJISGSA-N 423.319 1.450 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 2267719719 FHIFTXXWHRIGKN-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2267722635 YKIZDLBNEYPDAE-DEOSSOPVSA-N 405.372 1.237 30 10 HDEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C#CCN 2273766635 VCDJGGOODLLLPG-UHFFFAOYSA-N 411.483 1.021 30 10 HDEE CN(CCN(C)S(C)(=O)=O)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282204068 SDVGTAZSBWKRFB-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CCCNC3)cc2Cl)OC1(C)C 2282305942 GLJQQTLWXVHXII-NSHDSACASA-N 420.793 1.979 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNCCSC2)sc1B1OC(C)(C)C(C)(C)O1 2282320687 LWHUEHCSBVCGGH-GFCCVEGCSA-N 418.415 1.339 30 10 HDEE CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282335535 QSBPNBYLGNDYJZ-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3COCCCO3)s2)OC1(C)C 2282346415 VKVWUBSKJMQSCH-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CN[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282493011 RKYWHCLQDADDLB-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](C(F)F)C2CC2)OC1(C)C 2282497306 OAJNXZBXUKFHLK-NSHDSACASA-N 408.301 1.905 30 10 HDEE C[C@H](CO)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502155 HFJJAFBMIUPJNN-ZDUSSCGKSA-N 403.375 1.875 30 10 HDEE C[C@@H]1[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1(F)F 2282508997 DQZBJURPELUMMD-ZJUUUORDSA-N 408.301 1.763 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@]4(O)C[C@H]4C3)cc2Cl)OC1(C)C 2282827718 CFEGVOLOFXSCHX-MGPLVRAMSA-N 419.761 1.846 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCCCO 2282831535 AMKRBBLIXUIKJC-UHFFFAOYSA-N 405.347 1.033 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@@H](C)[C@@H]1C 2282834157 QBBXDWWTMLJXQW-RYUDHWBXSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCOCC2)OC1(C)C 2282844616 GQKZKWAJMHBGNQ-LBPRGKRZSA-N 402.347 1.431 30 10 HDEE COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282849354 ACCXYMNZGUTNAE-NSHDSACASA-N 401.315 1.231 30 10 HDEE C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860136 VYEXZXKBGNDOBC-OLZOCXBDSA-N 401.359 1.971 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282866299 GZYIJVIEWNDHEA-CQSZACIVSA-N 400.375 1.666 30 10 HDEE C[C@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406762 CBBRYIUZMMLEBX-ZJUUUORDSA-N 419.355 1.584 30 10 HDEE C#CCN(C(=O)C[C@@H](C)C(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2286841399 NZSDSMSMEYNEMP-HUUCEWRRSA-N 400.541 1.965 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2317411344 UKIYVSQYWQRREZ-HLIPFELVSA-N 408.520 1.221 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H]2C2OCCO2)n1C 2362565465 FGCGLJGAPJCIHI-AWEZNQCLSA-N 405.304 1.395 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365178909 MDXABIKJWCXMEA-BZUAXINKSA-N 403.541 1.836 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365208622 SRBHWVCAQHSAAO-ZTENYAIWSA-N 400.541 1.603 30 10 HDEE CCC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](C#CC(C)(C)S(C)(=O)=O)NCC 2365208800 TXTWUPODWGWYID-BEFAXECRSA-N 404.573 1.847 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 2365213198 VUEJQNONYZIYMZ-JYJNAYRXSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365247933 HRVAAPDRYLLXAU-ZIAGYGMSSA-N 403.497 1.682 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](CNC(=O)OC(C)(C)C)OC 2367800597 LAILAWJKUQDZKM-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(CNC(=O)OC(C)(C)C)C1 2367809173 KPQAHKGJQYISCB-HVEKOLDVSA-N 400.541 1.211 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 2367824398 LMUVOWSODSGXEL-YJBOKZPZSA-N 402.557 1.553 30 10 HDEE Cc1cc(S(=O)(=O)/N=C2\NCCS2)c(C)cc1N1CCCCS1(=O)=O 32537319 LISHZRRISQQUFQ-UHFFFAOYSA-N 403.551 1.615 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)CC1 58395860 QTMFLSKFXWSCDM-UHFFFAOYSA-N 419.529 1.940 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 105264371 YETZMNLMGVJDJV-OAHLLOKOSA-N 422.526 1.332 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OC 320838330 RNNQLPKDWKCACZ-GFCCVEGCSA-N 422.322 1.269 30 10 HDEE COc1ccc(Cn2ccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 429985407 CVLHUQOTBBZSSB-UHFFFAOYSA-N 417.473 2.561 30 10 HDEE COC[C@@](C)(CCO)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 438508348 XRMJRXYAKPEUJR-KSFYIVLOSA-N 418.538 1.733 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)cc2C1=O 440514316 NUKGEGLSAUCPMH-DEOSSOPVSA-N 419.481 1.835 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1C 443930786 WSVDYVNBXJHVEN-UHFFFAOYSA-N 421.910 1.421 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)c1 443942562 QUYVYHDWOONZAH-KRWDZBQOSA-N 417.535 1.592 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1C 445696662 JEYJZYPWKNQXNG-UHFFFAOYSA-N 417.491 1.320 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2=O)cn1 446622135 CPTFLYIIPROESE-VMWRSERWSA-N 423.477 1.481 30 10 HDEE Cc1cc(N2CCN(C(=O)Cn3cc4c(c(C#N)c3=O)CCC4)CC2)nc(C(C)C)n1 447416314 GMDGGERDBALSRL-UHFFFAOYSA-N 420.517 1.779 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 472017715 PWPDHBLKFKOKHC-YLJYHZDGSA-N 407.518 1.832 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 479034425 JKZPWIVRRHDEJX-SJORKVTESA-N 422.503 1.947 30 10 HDEE N#CC1(NC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)CCN(Cc2ccccc2)CC1 482739492 ZIWVMPUWKNMRMH-UHFFFAOYSA-N 403.442 1.505 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2cccc(O)c2)cc1 497788702 XHLYUYHEGMHXCY-KRWDZBQOSA-N 404.444 1.501 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(O)(CN3CCOCC3)CC2)CC1 501050032 CYHLBEROBUVEOO-SCCNAQOGSA-N 406.571 1.465 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)cc1Cl 502447464 WRGKTVWVCXOHNB-SNVBAGLBSA-N 411.892 1.999 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 504032948 CHRBJXZCJMAZIR-LJQANCHMSA-N 400.523 1.803 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C#N)c(C)n4)CC3)C2=O)n(C)n1 505844635 HOAGYXKLOOHKAV-IBGZPJMESA-N 421.505 1.257 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508918408 MWZADTWGOONEPP-INIZCTEOSA-N 404.492 1.990 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc3c[nH]nc3c2)CC1 525987500 NRNAXFCOPXOFJA-UHFFFAOYSA-N 409.471 1.510 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 549973811 OOMSQJAEBNIYCV-SJORKVTESA-N 415.519 1.724 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 553698522 XWIGZNIPUQSNAA-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1n1cccn1 566878613 ZECQICPGYUMQQS-SCTDSRPQSA-N 402.476 1.204 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1C[C@H]1CCCO1 603799040 RMNVCBNGVSYVME-GOSISDBHSA-N 423.538 1.511 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Br)cc2C)CC1 604197027 OLGSLZHWDMRBLD-UHFFFAOYSA-N 409.328 1.887 30 10 HDEE C=CCCCN(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 605905335 ACULRDXHBZXAGT-OAHLLOKOSA-N 415.537 1.582 30 10 HDEE CSc1nc(O)c(C(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1C#N 608988848 CDRLNIGYJOMZQW-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c(F)c1 611360605 JDFPGAOSWDBCBQ-OAHLLOKOSA-N 408.389 1.157 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731213472 DAUIRGNMASMEQX-ROUUACIJSA-N 420.531 1.490 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ccc(Cl)cn2)CC1 732465101 CHWREDVALJZYPX-MSUUIHNZSA-N 404.858 1.093 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cc(N2CCNC2=O)ccc1F 739137484 DSJPZAGYUDLWFD-UHFFFAOYSA-N 402.407 1.487 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(c3nnc4n3CCC4)CC2)C1=O 743354264 OSZHAHAQPXUJIR-JOCHJYFZSA-N 419.489 1.700 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1 750417273 XJYZKEAGGLMDEW-KRWDZBQOSA-N 417.512 1.799 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCCOC3CCOCC3)CC2)cc1 755922362 TXQXSQTZQOKPSM-UHFFFAOYSA-N 422.503 1.698 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 756751469 QIFHJTQLBZYVMD-NWDGAFQWSA-N 416.293 1.540 30 10 HDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(O[C@H]2CCOC2)c1 758753183 DJFVSBGLVNPZNQ-JVMRMLDLSA-N 414.462 1.488 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1c(F)cccc1I 761522924 RVGYADUAIDQTBZ-UHFFFAOYSA-N 406.151 1.599 30 10 HDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)c(F)c2)c1=O 763312203 JVTUODOHWZZMJK-UHFFFAOYSA-N 422.279 1.875 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cccc(N2CCOC2=O)c1)[C@H]1CCS(=O)(=O)C1 774193892 ASVYIUGLIFPDDB-YOEHRIQHSA-N 405.476 1.536 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(OC)n(C)n1 775086699 ZINBLNBCWMYIBU-CYBMUJFWSA-N 405.480 1.665 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccc(N3CCCC3=O)cc2)cc1 780204280 FRLNFDPYNMOVJD-NRFANRHFSA-N 407.426 1.578 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cccc3cnccc23)c1=O 782923948 AHEZWYBQSRDSHQ-UHFFFAOYSA-N 416.506 1.366 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2ccc(F)cc2)n1 788905298 HUFQNQLGKZVIFA-UHFFFAOYSA-N 401.442 1.243 30 10 HDEE C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCC1 796424081 KCQQVNZQXRIQEO-YSVLISHTSA-N 415.494 1.602 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)n1 798533660 QMTWWEMYDVLDMP-NQIIRXRSSA-N 423.517 1.864 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H](COC)C1 800783069 LZCHGEPQGWSTRF-KRWDZBQOSA-N 401.467 1.742 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 803523791 SQAXHEAOQYZQPE-MRXNPFEDSA-N 404.463 1.775 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccn2)n[nH]1 1084148435 AKVURRAWTFHUBB-UHFFFAOYSA-N 415.483 1.182 30 10 HDEE CCC(C)=NNc1nc(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)n[nH]1 1084374565 UUHQFSLFTJVRDV-UHFFFAOYSA-N 421.531 1.521 30 10 HDEE COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1 1124264586 YEZCIDWLKQLXOJ-ZDUSSCGKSA-N 405.480 1.671 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1124739537 RKIKXFQYUOQTDB-LJQANCHMSA-N 407.536 1.607 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(C#N)cc2OC)ccc1OC 1128541932 ZAGKFFGKAIMVJH-UHFFFAOYSA-N 419.459 1.752 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc4nc[nH]c4c3)C2=O)cc1 1141228963 LGQFCRFJZSDCKN-QGZVFWFLSA-N 402.414 1.956 30 10 HDEE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1141347488 BAZKBBSLGYBQDQ-PVARCSIZSA-N 419.503 1.743 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H]4CCNC(=O)[C@H]43)C2)C1 1153207156 CAGOPHHGDZHTRG-CZRSRKIVSA-N 416.522 1.900 30 10 HDEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1156620277 CQFFULQLLHWZMU-INIZCTEOSA-N 414.512 1.684 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 1160794111 IRDRRXIJCSWADI-KHPPLWFESA-N 402.414 1.959 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CCOCC4)CC3)ccc2c1=O 1161640775 MAIWLRWUQXKTDB-UHFFFAOYSA-N 414.531 1.808 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OC 1171469038 BOCWURVJIADPFN-LLVKDONJSA-N 405.270 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)Cn1cnc(C#N)n1)C2 1176868820 FKFDJSMWJWTSLS-AWEZNQCLSA-N 404.471 1.072 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccccc2cc1C(=O)OC 1185675830 YSGSEHWFMHVUMH-INIZCTEOSA-N 421.496 1.437 30 10 HDEE Cn1c(=O)c2cc(NC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)cnc2n(C)c1=O 1198127203 DHIZEVOEQJKMRP-QGZVFWFLSA-N 404.430 1.703 30 10 HDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1 1214653309 BVRFWUILLGTIDG-UHFFFAOYSA-N 424.523 1.937 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cc2S1(=O)=O 1264468261 OHEITNZNSDQLFK-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE Cc1c(Br)cnn1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1266190938 MRVBMMIQGQJETJ-NSHDSACASA-N 404.272 1.353 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1286299784 YVDOMDRLLWMXFX-INIZCTEOSA-N 422.537 1.436 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286391751 FYVSAERJAJGHCN-IKGGRYGDSA-N 422.551 1.224 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2nnc3n2CCC3)CC1 1286486894 RJSGTPIGGTXPNB-UHFFFAOYSA-N 410.526 1.127 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1286492177 DJXKWGAFNUHXQE-HZPDHXFCSA-N 423.464 1.172 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CCOC 1286552763 ATUSAXJOZWNTSS-NUJGCVRESA-N 402.499 1.577 30 10 HDEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286591959 WPHYLADETQXGOG-ZDUSSCGKSA-N 400.870 1.322 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1286810948 YDKXFFSNOPXHOI-IRXDYDNUSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCC1 1286820406 LAIZGFMBKXRHRD-QGZVFWFLSA-N 404.492 1.992 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(OCc4ccccn4)cc3)C[C@H]1CS(=O)(=O)C2 1289203304 DLHWYYXOCKWKHJ-UWJYYQICSA-N 411.483 1.600 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)n1 1290045525 HJFVSDWBZCSEBD-UHFFFAOYSA-N 418.906 1.968 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCC[C@H]1CO 1290817030 VIUJJZGZLBLBHX-SFHVURJKSA-N 411.510 1.358 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC(C)(C)C1 1290863316 DHSFIGTTXLRFRH-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1300381523 SWKZARKONYXIHV-INIZCTEOSA-N 420.539 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1CCN(CCN(C)C)CC1 1300529783 QYYRDWFWEOJWJM-UHFFFAOYSA-N 406.538 1.082 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1300574363 WGNOCIBIACQSTM-RCCFBDPRSA-N 413.478 1.146 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300574566 DBSRTSRODRKHKC-GCJKJVERSA-N 406.490 1.926 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCOC)CC1 1301079732 JQOPLRBFBHKRSN-FQEVSTJZSA-N 403.483 1.950 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCOC1 1301286098 ANAPLJRPXQDUSJ-SFHVURJKSA-N 406.512 1.012 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1303635244 CJXGBWWJFWWKQW-GDBMZVCRSA-N 405.466 1.597 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)CC1 1303941814 HAYGZFJFOROMKV-INIZCTEOSA-N 413.526 1.666 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@]2(C)C1 1308060694 PUFJFFYXJLTZEC-OXJNMPFZSA-N 420.535 1.916 30 10 HDEE COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099621 IOLRKGODRMTYFW-LZWOXQAQSA-N 402.394 1.790 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 1308150005 USQYHULBLPUZRP-HMILPKGGSA-N 408.568 1.779 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1309763297 YQVLYTOOKNHUQE-PWECECGKSA-N 423.944 1.899 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1314471155 ZKAIKCAIIISUNJ-HXUWFJFHSA-N 401.467 1.353 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)c1 1314979436 HTCSBQXUJUFRFS-RHSMWYFYSA-N 409.494 1.570 30 10 HDEE COC[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1315777982 BNVGHORTSHGUPF-INIZCTEOSA-N 419.493 1.611 30 10 HDEE COC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1315954252 WXDGHWCEXPFSFI-QGZVFWFLSA-N 414.491 1.998 30 10 HDEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1316028223 VQCUBPAOMFBDJO-UHFFFAOYSA-N 403.531 1.222 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCC2)C1 1316527497 MDDDCCCPIMMLOE-OXJNMPFZSA-N 403.506 1.937 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCCOC1 1357975854 RESQJEHKBVUSJL-QGZVFWFLSA-N 417.409 1.257 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1358919585 FTZBIOPSDGOHLJ-DOTOQJQBSA-N 409.556 1.555 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1358970661 UTFQZWPYHRNESF-OAQYLSRUSA-N 411.510 1.398 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(C(=O)NCC)CCC1 1359024061 DOMMDMZYRFZPHK-KRWDZBQOSA-N 403.527 1.912 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](CNC(C)=O)C1 1359143082 UIABOGUQXLGWSS-UKRRQHHQSA-N 401.895 1.096 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)CC1 1359158773 DUFRPGMZKHRLEL-CVEARBPZSA-N 408.572 1.529 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)CC1 1359158774 DUFRPGMZKHRLEL-HOTGVXAUSA-N 408.572 1.529 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1 1359299482 GNPYZGYBKSBIDP-UHFFFAOYSA-N 400.449 1.922 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1359332061 NUZQASCBMBJXAN-INIZCTEOSA-N 407.540 1.348 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1435839857 DGNPYGFSNGXYNY-QGZVFWFLSA-N 405.495 1.832 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1447479649 FXIQBCFKQJPVLB-AEFFLSMTSA-N 423.473 1.786 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1447690281 ZQBZJNLYSKYDDA-QGZVFWFLSA-N 403.435 1.210 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C[C@@H]2COCCO2)C(F)(F)F)n1 1448864126 ZIOVMGLQUOLSNQ-HZPDHXFCSA-N 403.401 1.475 30 10 HDEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@](C)(C(F)F)O1 1453697034 SRYZLZPSNQVVSC-XIKOKIGWSA-N 415.462 1.776 30 10 HDEE O=[N+]([O-])c1ccc(NCC#C[C@@H]2CCCCO2)c(S(=O)(=O)N2CCOCC2)c1 1458704937 YXEBGERMUZGWQG-INIZCTEOSA-N 409.464 1.600 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1460680850 XWEKTAWQURAPDH-QXSJWSMHSA-N 409.483 1.619 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1462269581 DNLRJZPBRNATAJ-IYBDPMFKSA-N 421.519 1.882 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)CC[C@H]2CCc3ccccc32)CC1 1463163588 AOJYCQCXQBYBFD-LJQANCHMSA-N 403.548 1.193 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2nc(=O)o[nH]2)C(C)(C)C)s1 1469343947 UTKPPTYDAVJZHX-ZDUSSCGKSA-N 414.509 1.335 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1469871930 IPKDOIJVHDGBCG-OALUTQOASA-N 421.453 1.874 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@@H]3C#N)c2)CC1 1471051973 XVOBTJBBLXWOQR-MJGOQNOKSA-N 418.519 1.304 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1471069646 MKUSVNXUDMSIMW-XGHQBKJUSA-N 403.479 1.385 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2ccccc2OC)no1)[C@H]1CCS(=O)(=O)C1 1479044213 DYIVJTZOMGLJTR-AWEZNQCLSA-N 403.460 1.682 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1505115774 FKINBESYXRCVCM-KRWDZBQOSA-N 419.507 1.389 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1507628339 NMCTXYCPLGDMDU-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(N)=O)CC1 1507780221 XSHVHVVIRHUHJR-GFCCVEGCSA-N 416.320 1.612 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507797478 LRPGSVDFNJNFAN-MKXGPGLRSA-N 403.527 1.868 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1507958360 USRCKGLPNSXMQI-UHFFFAOYSA-N 404.559 1.704 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1507988761 VOBNSBSYCMVYMP-IERDGZPVSA-N 403.527 2.000 30 10 HDEE Cc1cc(C)n(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)n1 1511723009 HZDVPPUUWPIFOE-UHFFFAOYSA-N 404.478 1.657 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C 1515911486 FNAXUXCPYDQVLF-ZHRRBRCNSA-N 407.522 1.825 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1517590220 KRWSPCMUVVOGCS-QFIPXVFZSA-N 423.521 1.254 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1519162967 IPHOERPSNWMWRG-JXFKEZNVSA-N 413.482 1.440 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1519195577 RFTJAOTUBHKSGK-GUXCAODWSA-N 420.489 1.109 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 1519806323 WXVVLFQSMQCCAQ-INIZCTEOSA-N 418.453 2.000 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)n1 1520240483 WSQUOLIUEXVHHI-UHFFFAOYSA-N 411.437 1.813 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1I 1531180876 HPQZNWHHPUTOMG-UHFFFAOYSA-N 403.220 1.442 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1535416957 BOIMTWHKPNQRLP-MRXNPFEDSA-N 407.492 1.311 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1539001692 HRSNFZQLASHUHO-HNNXBMFYSA-N 410.503 1.839 30 10 HDEE C#CCCCn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1539142150 KZUQZQFVNGLPPO-YPMHNXCESA-N 413.454 1.822 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1539245445 HGMGTWUQCINPKV-UHFFFAOYSA-N 403.446 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(C)C 1539307100 PURFYWFVJSFZTH-UHFFFAOYSA-N 417.521 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(OC)C1CC1 1539323665 IJMLQAAJPICNNR-OXJNMPFZSA-N 404.536 1.458 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCC1(O)CCOCC1 1539408054 ZKZAYZXUKBUUOO-UHFFFAOYSA-N 414.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539432150 YMCPDHSTVWZJSI-IPJJNNNSSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1539454543 RSTAOLZQOUPZKT-UHFFFAOYSA-N 424.524 1.863 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539962867 FYOGCUCGUUNNBS-CVEARBPZSA-N 401.515 1.626 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1540869004 ZBAKVTQHUKAOGN-DLBZAZTESA-N 411.510 1.821 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540871030 BTYVYHDLTKRKLM-OAHLLOKOSA-N 420.514 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540897565 MQFZFPYTQKMCSL-SJORKVTESA-N 423.583 1.984 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1546545626 HQIDYPCTXWQKDK-SFHVURJKSA-N 402.543 1.993 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2conc2COC)CCOC1 1547854240 LTYSWSGUCYLMSY-IFXJQAMLSA-N 404.471 1.851 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1555328096 DBVUTSJNZLGWGW-INIZCTEOSA-N 421.461 1.701 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1555683336 XYMKVEKTDLIVHU-APWZRJJASA-N 423.489 1.436 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(F)c(C#N)c(F)c3)C2=O)cc1 1556501197 FELUVFREOUJBNA-LJQANCHMSA-N 400.341 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)c3cccc(C#CCO)c3)C2)CC1 1556532723 FOLVRPIEVQJZDL-FQEVSTJZSA-N 413.518 1.798 30 10 HDEE CCOC(=O)[C@H](F)C1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556778205 XNHUIKHICHPLMC-DOTOQJQBSA-N 416.409 1.123 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ccon2)CC1 1557559703 WYZBQLBYWBAUGO-UHFFFAOYSA-N 402.476 1.900 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C(=O)OCC)c(C)s2)c1 1557852997 FLNGPZTZSOMKRU-UHFFFAOYSA-N 407.473 1.792 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1 1558329049 JUKHGTFSGQVSAH-IBGZPJMESA-N 413.518 1.770 30 10 HDEE CCOC(=O)c1ncc(Br)c(N(C)CCCc2[nH]nc(N)c2C#N)n1 1559056688 SODGKAPZFNCITA-UHFFFAOYSA-N 408.260 1.662 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@H]3c3cccc(F)c3)CC2)o1 1560001670 FLEJAZRTMGBQGE-IBGZPJMESA-N 413.453 1.716 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1 1561866614 OSDDWTVLNICKPZ-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1570543500 LNPRJJWWVAQXKO-UHFFFAOYSA-N 403.479 1.906 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)NC3CC3)C2)s1 1584002702 OOGMANZRFDTXMZ-ZDUSSCGKSA-N 411.549 1.272 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1584137180 LNUVSTUXLWYKMU-UHFFFAOYSA-N 419.441 1.413 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC2)cc1C 1586904215 PDIWCPHHUDKDQE-FQEVSTJZSA-N 406.552 1.664 30 10 HDEE CCc1cc(=O)n2[nH]c(NC(=O)COc3cccc(Br)c3C#N)nc2n1 1587187777 FPMFZLGTICEKGA-UHFFFAOYSA-N 417.223 1.632 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)Cn3nnnc3-c3ccccc3)CC2)cc1 1587610908 FUOUKOLBNXPJQB-UHFFFAOYSA-N 401.474 1.946 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1587620490 GGNPANCWUPFNAG-AWEZNQCLSA-N 402.462 1.432 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1587915501 MHWZIPYOFRNUNU-HXUWFJFHSA-N 401.467 1.298 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049300 DVHATYVWWQZKCM-QWXGXRTQSA-N 412.581 1.329 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588064279 FJUMQZPYXCJIRV-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(NS(C)(=O)=O)CC3)n[nH]2)c1C 1588154414 QPKHFFVZZBWQIA-UHFFFAOYSA-N 406.512 1.230 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1588459378 UNHMAFGWLDBBIZ-AABGKKOBSA-N 419.570 1.963 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OCC 1589372280 XNLKDXSTMYBDOK-QGZVFWFLSA-N 402.495 1.525 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCS(=O)(=O)C1 1589580360 NTRGUXSAIXAIRK-YCPHGPKFSA-N 406.512 1.639 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1593696382 OTXVLZFARYGUMS-GASCZTMLSA-N 400.439 1.080 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)NC(C)C)CC1 1594229279 KEXKKLGDPSVMDP-UHFFFAOYSA-N 407.544 1.409 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1595871179 IVWTWXLYGLFYIC-QWHCGFSZSA-N 401.558 1.018 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1596814696 ZIWWQSSHOLBFJA-GJZGRUSLSA-N 423.477 1.995 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)nn1 1598174355 BZWDVAAFQPWJJO-UHFFFAOYSA-N 403.508 1.877 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3F)CCO2)cc1 1598187193 YBMSIXAJVZNNAH-GOSISDBHSA-N 417.462 1.966 30 10 HDEE N#C[C@]12CN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)C[C@H]1CS(=O)(=O)C2 1598568405 UKRUHMJGOOKYMB-SCLBCKFNSA-N 405.476 1.888 30 10 HDEE COCCCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1619814959 UVUUPPXDSGXQQV-YLJYHZDGSA-N 407.515 1.864 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ccccc3Cl)c2)CC1 1623143981 BMDFSZIHFZDGIJ-UHFFFAOYSA-N 422.898 1.143 30 10 HDEE C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C 1627433831 NGNFZTFRTUMEIF-RHSMWYFYSA-N 421.519 1.663 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)COc2cccc(Br)c2C#N)CC1 1629102628 FYYFYIJJXWEKCO-UHFFFAOYSA-N 423.311 1.370 30 10 HDEE N#C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(Br)cc1 1629576221 USZHZNMISGIGAA-CYBMUJFWSA-N 401.224 1.416 30 10 HDEE C=CCn1cc(C(=O)N2CCN([C@@H](C(=O)OC)c3ccc(Cl)cc3)CC2)nn1 1629807806 YJQNOCUAWBRFFC-QGZVFWFLSA-N 403.870 1.790 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cn1 1630714324 GIZQYGFLYKDHQG-HKUYNNGSSA-N 401.467 1.651 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc2)c1=O 1632946311 NTTYZAYBOIKVTQ-UHFFFAOYSA-N 415.406 1.260 30 10 HDEE COC(=O)CC1(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CCS(=O)(=O)CC1 1633367151 LCIIEKNUSPMPAD-UHFFFAOYSA-N 418.515 1.997 30 10 HDEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1633455987 RYKKCGNPJJPJSH-YWMAMYRUSA-N 408.499 1.959 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1634790360 VYWQAAKFINOHGM-ZDUSSCGKSA-N 406.435 1.749 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)CC1 1634876605 WNBNLWGYOHYTER-YTQUADARSA-N 416.319 1.228 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3ccc4c(c3)OC(F)(F)O4)C[C@H]1CS(=O)(=O)C2 1636591145 MZTPCZPUZLZQOI-BLLLJJGKSA-N 413.402 1.130 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1636699399 KVXWDGIZFUCCTK-CQSZACIVSA-N 402.463 1.809 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1636740047 ZCIIWXZKXCFXLA-FVQHAEBGSA-N 421.519 1.746 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(=O)OC)cn2)c1 1641684043 PAELPZPVSZDSPP-UHFFFAOYSA-N 403.460 1.605 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)c1 1641786805 BWATWSGBXXGSOX-OAHLLOKOSA-N 416.446 1.811 30 10 HDEE COC(=O)[C@H](NC(=O)c1cccc(CNc2ncccc2C#N)c1)c1ccnn1C 1643544842 YGZCNGOXVVTZJV-GOSISDBHSA-N 404.430 1.943 30 10 HDEE COc1cc(N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc(OC)c1OC 1645222990 AOAMQSSWKBKYLO-GOSISDBHSA-N 419.522 1.906 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(CN3CCCC3)cc2)c(=O)n1C1CC1 1652149551 DENKCSMVVJTOFY-UHFFFAOYSA-N 421.501 1.437 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1C1CCOCC1 1653424593 FXDLFOAUROLVJY-UHFFFAOYSA-N 403.464 1.302 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)nc1F 1653725136 DGRPYBUEMGDWTQ-SECBINFHSA-N 413.290 1.347 30 10 HDEE C#CC1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1654837545 GVGRDLWBMMAKLH-INIZCTEOSA-N 405.520 1.380 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NCCC(=O)Nc1sc2c(c1C#N)CCC2 1655032549 UWKUZUDELGWPBE-LJQANCHMSA-N 401.492 1.855 30 10 HDEE CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc(F)c1C#N 1663452551 HKAYIIQVYWAOJR-UHFFFAOYSA-N 405.407 1.728 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1664106265 CUWCXYFLJGSSPR-UHFFFAOYSA-N 412.899 1.407 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCc2nc(C#N)cs2)CC1 1685236783 OOKYERQOBXIAIR-UHFFFAOYSA-N 408.528 1.803 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1689847938 LTXTWNYQEBDBAL-HNNXBMFYSA-N 421.505 1.566 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CC)c1 1689870284 JBVFVHCXJFGXLK-VGOFRKELSA-N 424.505 1.446 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1689908052 VBZHREWUJMUVRF-NRFANRHFSA-N 411.510 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(=O)Nc1ccc(F)cc1 1690099882 OWLYIHBEAYONTL-UHFFFAOYSA-N 409.425 1.599 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)CC1 1690113273 FIODDRATNAFARH-NRFANRHFSA-N 419.595 1.970 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2Cc2cccn(CC)c2=O)CC1 1690119367 BZWCQHSVSKUDNM-UHFFFAOYSA-N 402.502 1.930 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCCC2)CC1 1690146790 WXAQUMHFWRVJGI-QGZVFWFLSA-N 401.511 1.053 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1690484623 AIGUTAGIFBZXJE-IRXDYDNUSA-N 409.556 1.814 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1691010040 BPPNYNJCHOYCIJ-OKZBNKHCSA-N 417.558 1.668 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1692659757 ABAHPYPIGZHQPW-CQSZACIVSA-N 412.585 1.348 30 10 HDEE CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1695790866 IFIGDGUMMMLHRL-NRFANRHFSA-N 411.510 1.776 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1697788172 XHHAUCAWYJUHAM-HZPDHXFCSA-N 417.441 1.713 30 10 HDEE COC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1697883748 SDNIXARVFRTXAB-CZUORRHYSA-N 402.455 1.169 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705530243 UYUPRAWKGGFZCN-QGZVFWFLSA-N 409.494 1.464 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705567109 UFSLNLVQKDBNLN-PXNSSMCTSA-N 408.568 1.969 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1705631048 PVVSJZRETRVKIR-KCXPTXFHSA-N 420.554 1.823 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOC(F)(F)F)CC1 1705762889 KXZCGZSHUQRTLY-LBPRGKRZSA-N 411.450 1.971 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnc(C)s1 1705908780 HJRONWSBXLDLHU-YOEHRIQHSA-N 420.539 1.706 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C(C)C)CC1 1705937847 GQCUGNGSQUNLNU-UHFFFAOYSA-N 423.583 1.874 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1712567367 UTSXSWIKOKSASK-ROUUACIJSA-N 420.558 1.995 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCOCCCO)cc1 1712881129 MTWUPPKFLIYLGM-OAQYLSRUSA-N 413.478 1.211 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H](c1cccs1)N1CCOCC1 1722350320 VDLSYNPZPQDRNN-KRWDZBQOSA-N 409.519 1.940 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722366818 SNXQLSARXCBELL-IRXDYDNUSA-N 404.540 1.705 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NC(C)C 1722380678 USKOWNLLIDIENW-UHFFFAOYSA-N 403.446 1.191 30 10 HDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1722549783 AFDZQKPQALQOHT-UHFFFAOYSA-N 423.930 1.269 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1722620429 MZQFUFKWIOXDPK-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(CO)CC1 1722695299 YSRYRMHTUGQIEB-UHFFFAOYSA-N 415.494 1.473 30 10 HDEE Cc1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)s1 1726355225 GWRJEHDFSDBEDH-HNNXBMFYSA-N 415.454 1.933 30 10 HDEE CNS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1729744746 ADBOIJJJVBEUDL-SFHVURJKSA-N 406.487 1.054 30 10 HDEE C#CCC1(C(=O)N(C)C[C@@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCCC1 1739071308 BYBHQYGKEVAJAV-ROMHJBHXSA-N 402.535 1.661 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[S@@](=O)C(C)(C)C 1740631322 AMDHAHPYGAQSQY-WTYVLRPYSA-N 406.552 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nncn1C 1740635337 VHOXSDXGYQYCIZ-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740670195 NGCHFNDDXIHJSG-RBUKOAKNSA-N 416.570 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1740683315 BOEXMEVNGBXKEN-KRWDZBQOSA-N 403.508 1.393 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCSC)CC1 1740689978 LUULBJYKKHYROB-UHFFFAOYSA-N 413.551 1.824 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1740700406 RSLJRNLVPFUACN-UHFFFAOYSA-N 424.549 1.514 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740775732 DTHOAQIHNZRPGN-LJQANCHMSA-N 422.555 1.092 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1740899396 MESRQRXGJSQKSY-INIZCTEOSA-N 405.524 1.751 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NC(C)C 1740938554 IWQIBNLAFCNMDA-UHFFFAOYSA-N 401.467 1.837 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(O)c2)C1 1740978850 DDDIWELIICKASN-CVEARBPZSA-N 413.478 1.773 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@](=O)CC)C1 1740984241 YKKHRLSDUFJSOS-JYRCXFKTSA-N 406.556 1.690 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1740994323 PDJREDLPKMVNRN-VQIMIIECSA-N 412.556 1.767 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1C 1742254889 WYIALOKLVTUXFN-IAGOWNOFSA-N 423.477 1.155 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@@H]1CCOC1 1748638200 KRGQYFLFOMITCQ-IRXDYDNUSA-N 412.494 1.827 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1748671525 KBSREPGHEJAKIN-CVEARBPZSA-N 421.567 1.429 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1748785283 QEEBBBKOYRFQJI-WOJBJXKFSA-N 422.533 1.590 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1748814956 MBFMISUHILLEJP-QGZVFWFLSA-N 402.524 1.377 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1748818108 VSWSUZDNHAZGAI-MSOLQXFVSA-N 421.611 1.835 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2(C)COC2)n1 1748970786 SFKUMBKVBIJLTL-UHFFFAOYSA-N 421.505 1.859 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCc2cnn(C)n2)CC1 1748994973 UYVZHAUISGIZJL-UHFFFAOYSA-N 418.549 1.580 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749427838 UXEZJHCCNRGMEZ-INIZCTEOSA-N 421.567 1.595 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C)O1 1749547439 MODTWLZHLJJGDQ-KFKAGJAMSA-N 413.478 1.472 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ncc(Cl)n1C 1749669001 BJBYLVFFUTZWFG-CYBMUJFWSA-N 407.906 1.498 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749729180 DBIHFQFDPABZSC-INIZCTEOSA-N 417.535 1.521 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1751303191 IACFBVLGDMHPFH-LEWJYISDSA-N 410.478 1.324 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@H](C)C1 1760097444 FDWWHGLRJNSXSR-QAETUUGQSA-N 410.588 1.467 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1760102956 VRRCSPIKZSCCLZ-ZDUSSCGKSA-N 422.507 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1760118153 ZDJNQBYFCWXPDM-DAYGRLMNSA-N 411.597 1.075 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1760118199 ZPKUVGBCQOBEAB-HZPDHXFCSA-N 402.524 1.535 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760201630 XNQMLCPDVBRLGQ-KRWDZBQOSA-N 404.449 1.829 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1760225160 JPENYOYYBGRJAZ-HNNXBMFYSA-N 405.524 1.713 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC)C1 1760325847 SNENQVVZVQLSBD-HLIPFELVSA-N 403.527 1.997 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1760401084 ZQVNLESAJJFAIN-QGZVFWFLSA-N 411.510 1.632 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)CC[C@H]2C1 1760520673 WHJVKGTXHWJMGW-AWEZNQCLSA-N 414.897 1.712 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1761283095 HZTGTTYQFVGREK-VQTJNVASSA-N 420.489 1.287 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)C#N 1761580295 QWKLROQKCUWBKB-CQSZACIVSA-N 415.498 1.734 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1764920069 UPMORHJXJCZRGP-MSOLQXFVSA-N 411.510 1.485 30 10 HDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1769296433 BFMVAILMLLDVAV-UHFFFAOYSA-N 422.493 1.473 30 10 HDEE COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1769859304 BMRCRGLCDDCRKX-KRWDZBQOSA-N 409.494 1.464 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nncn1C 1771169963 XLQWXGYLMRZWPR-OAHLLOKOSA-N 410.482 1.687 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1772859174 WTQYKZAVDWDRQF-RMYFCYLKSA-N 410.482 1.886 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C(=O)N2CCO[C@H](C#N)C2)C(C)C)c1C 1850807865 AOWWFNTYQIDBRY-QZTJIDSGSA-N 407.536 1.974 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1851042922 FAJNFWVWHYBTEW-SFHVURJKSA-N 419.547 1.263 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)Cc3cn4cc(C(F)(F)F)ccc4n3)CC2)n1 1851475672 YNSSHLFQXQFDER-UHFFFAOYSA-N 415.379 1.906 30 10 HDEE Cn1ncc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c1Br 1851781519 BCFRUOPYAZPYMX-UHFFFAOYSA-N 403.180 1.667 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)c2cccnc2N2CCOCC2)CC1 1853144291 OXCJVPOYBDAMBF-UHFFFAOYSA-N 406.490 1.831 30 10 HDEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(Cl)cc3)C2)ccn1 1853752759 AGXPGMFTYRPFPG-MRXNPFEDSA-N 407.835 1.909 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H]4CN(C)C[C@@H]4C3)ccc21 1853982697 WHZLTFJRKMOWHB-IAGOWNOFSA-N 417.531 1.641 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCC(=O)c2cccc(C)c2)C1=O 1854166295 AXEHADCEULBGQM-OALUTQOASA-N 411.502 1.804 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccccc2OCC)C1=O 1854179908 ZZJAOXGIDOPQIF-RTBURBONSA-N 413.518 1.864 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2=O)C1 1854317409 KOWGOWDZFIMTRA-LJQANCHMSA-N 408.433 1.916 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCC[C@@H](N(C)CCC#N)C1=O 1854337524 HXJCSACEKSXZCT-MRXNPFEDSA-N 409.446 1.218 30 10 HDEE C=C(C)CN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)C1 1854489281 FSUCHIREUZZRRE-QGZVFWFLSA-N 422.551 1.039 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1OC 1854957965 RCQAZCQVQNRKQA-SJLPKXTDSA-N 414.506 1.755 30 10 HDEE COc1cc(C)ccc1O[C@@H](C)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855010374 OPWCPTZVKGTZLS-ROUUACIJSA-N 414.506 1.430 30 10 HDEE Cc1nc([C@@H]2CC(F)(F)CN2[C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1855748733 GBMNVRPVVCSNBZ-CABCVRRESA-N 416.388 1.858 30 10 HDEE C=CCCN1c2ccccc2N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@@H]1C 1856240456 OCXQOIBWUOHUQK-KSSFIOAISA-N 419.503 1.324 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CC(Oc4ccccc4)C3)CCC2=O)CC1=O 1856975249 KQADOFPZGDXWAE-MSOLQXFVSA-N 411.502 1.549 30 10 HDEE C[C@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857335174 ZRCBWJIUXAXXAS-LPHOPBHVSA-N 417.531 1.375 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794765 GDCGXKKNXANVSW-SJORKVTESA-N 419.551 1.253 30 10 HDEE CCCCN(CCO)C(=O)[C@H](CCSC)N=C1NS(=O)(=O)c2ccccc21 1869930031 RJWCMQHZEODFHU-HNNXBMFYSA-N 413.565 1.468 30 10 HDEE O=c1c(Cl)c(N/N=C/c2cccc([N+](=O)[O-])c2)cnn1[C@@H]1CCS(=O)(=O)C1 1873528814 ICVYTLFZWFNJPS-KOSUEXCASA-N 411.827 1.611 30 10 HDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCC(C)CC3)ncnc21 1873593758 HGOBHTWWGFHXJV-UHFFFAOYSA-N 412.538 1.916 30 10 HDEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873595305 XBMSMFGZTHVTBA-UHFFFAOYSA-N 414.510 1.252 30 10 HDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc[nH]1 1874210614 YCEJQHRYLXJSTG-MQEPLNOPSA-N 423.502 1.582 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cc2csc(NC(=O)C3CC3)n2)C1 1891470577 NUBQAPWTJDYWOH-AWEZNQCLSA-N 412.475 1.766 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@]1(C)CO 1982282830 FIIYPXQCBKUJLV-AWEZNQCLSA-N 413.334 1.529 30 10 HDEE CC(C)(C)OC(=O)NOCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985102067 BFSQGPPPLMOXJJ-UHFFFAOYSA-N 408.264 1.561 30 10 HDEE C=C(CNC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1994939516 XWLQMNAZIOPLJF-ZDUSSCGKSA-N 411.308 1.449 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@@H]2NC(=O)C#CBr)CC1 2006269367 RTSIAZRFTGDMIP-KBPBESRZSA-N 400.317 1.932 30 10 HDEE C[C@@H]1[C@H](C(F)(F)F)N(S(=O)(=O)N2CC(C#N)C2)CCN1C(=O)OC(C)(C)C 2174779099 FLPYRKXNUCHLDS-ZYHUDNBSSA-N 412.434 1.559 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CSCCN(C(=O)OC(C)(C)C)C2)cc1C#N 2174788576 GTISANOZMICNCC-CQSZACIVSA-N 412.537 1.893 30 10 HDEE Cn1ncc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247782683 WTRLOBCMVZUJEI-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE C[C@H](CN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247833278 DGHUFQXYBVZSJI-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258174353 YDJDDOOVUCBDNW-DLBZAZTESA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2ccsc2CNS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2263517252 NSSPUZCFHVVTJC-UHFFFAOYSA-N 415.342 1.372 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)N(C)C 2267707218 MWSKDOODKQREKZ-SNVBAGLBSA-N 408.782 1.929 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](C3OCCO3)C2)n1 2281997310 ZTRAWNHFFBJROM-AWEZNQCLSA-N 405.304 1.427 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(F)C[C@@H](CO)C3)s2)OC1(C)C 2282335230 MVLIBJRRFGNMRA-AITUWYQGSA-N 405.322 1.436 30 10 HDEE CN1CCC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282347792 CLGWVKYKSASPAJ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CN([C@@H]1CCC[C@@H]1CN)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420838 FSCGBKDNKVIYPT-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(OC(F)(F)F)C2)OC1(C)C 2282421072 JKHZYFJEALDAKO-UHFFFAOYSA-N 413.248 1.957 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1O 2282497935 WXFTWVYQLUBZEO-CHWSQXEVSA-N 401.359 1.626 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282499980 HBQPQEDWQNTVQP-SHZVTRLKSA-N 401.359 1.172 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@](F)(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282846901 QRHMMBXFGJRMQD-INIZCTEOSA-N 405.322 1.451 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@](C)(CCO)C2)OC1(C)C 2282849366 AKEFAWYWAMLASA-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CC[S@@](C)(=O)=NCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858271 UPAUSUDUPDHUEJ-RUZDIDTESA-N 422.403 1.443 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)O)c2)OC1(C)C 2284398548 ZFRHYJYJLKBPON-VXGBXAGGSA-N 401.315 1.579 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2286345843 RMBQNWKGIFFBQO-CRAIPNDOSA-N 403.545 1.806 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCCN1 2286862990 SCULTKQMSQEFNZ-YPMHNXCESA-N 400.375 1.775 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)O[C@@H]2C1 2289381873 GZLMHKVDDVUHED-LOWDOPEQSA-N 402.513 1.679 30 10 HDEE O=C1C(=O)N(CCO)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296936002 TWDUYHNZZWIGQQ-MRXNPFEDSA-N 413.342 1.917 30 10 HDEE COC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2361731608 JQDDBFDBYCKPLS-SNVBAGLBSA-N 415.264 1.903 30 10 HDEE COCC[C@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 2365207809 QJTPPQNNRYRNKK-KXBFYZLASA-N 402.557 1.947 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC 2365212311 RCMXQNTTZQEYJH-XHSDSOJGSA-N 402.557 1.673 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2ncc(Br)cc2Br)CC1 2367741024 SCKAULBSEWUULY-SNVBAGLBSA-N 423.130 1.692 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2367786989 JMBRKOIAGKYHDY-CABCVRRESA-N 400.541 1.570 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367800092 GPSVMHGYTVGELZ-MAUKXSAKSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CF)CNC(=O)OC(C)(C)C 2367811570 JWRNGPKELDOGBN-KSSFIOAISA-N 406.520 1.161 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367818529 VUBXLBXCKDQWSC-KSSFIOAISA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367827070 DNDCOKLDJXPXNJ-CRAIPNDOSA-N 402.557 1.553 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 30335761 UZRAQURYDOGKIU-HNNXBMFYSA-N 402.524 1.825 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 33268707 HVCSYHPRYUGVEA-UHFFFAOYSA-N 405.458 1.093 30 10 HDEE C=CCn1c(=O)c(N2CCN(C(=O)c3ccccc3OC)CC2)nc2cccnc21 64579087 BSFMTHZNNSOOLU-UHFFFAOYSA-N 405.458 1.949 30 10 HDEE NC(=O)c1ccc(C#CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)cc1 96347948 ACFNXTRIDCZOHL-HNNXBMFYSA-N 408.483 1.036 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(C)CC3)C2=O)cc1 96573452 LPWUMDZSQASTHV-OAQYLSRUSA-N 400.479 1.183 30 10 HDEE O=C1C(=O)N(CCO)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 103111250 TWDUYHNZZWIGQQ-SCDSTIRESA-N 413.342 1.917 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 111047857 WFWBRYMHZYBXAS-AWEZNQCLSA-N 408.480 1.552 30 10 HDEE O=C1C(Br)=CC(=CNn2c(=O)cn[nH]c2=S)C=C1Br 137243676 DBMQGCHVJDCWHA-UHFFFAOYSA-N 406.059 1.869 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)CC1 448533471 WDTLXXMIKXFSGG-OAHLLOKOSA-N 402.495 1.148 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)c2ccc(Br)cc2OC)C1=O 470837504 WCNXVVASHJPGNH-SNVBAGLBSA-N 424.251 1.612 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3ccc(-n4ccnn4)cc3)CC2)c1C#N 472065961 OWMLODMUKABEHN-OAHLLOKOSA-N 419.493 1.774 30 10 HDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccc(OC)n2)c1=O 479398260 LQLXKQAHFKKRRF-UHFFFAOYSA-N 421.478 1.728 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CCCC1 498900102 VHSLBEMHQGFBGD-UHFFFAOYSA-N 405.476 1.587 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(O[C@@H]3CCCC[C@@H]3O)cc2)C1=O 505208443 BAXFKFNAFRYWND-JKSUJKDBSA-N 401.419 1.284 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(=O)OC)C1 508732773 IVDJCEUZTYKXDO-AWEZNQCLSA-N 408.462 1.767 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N1CCN(Cc2ccc(C(=O)O)cc2)CC1 515109217 QQDQZDIDPVVGST-UHFFFAOYSA-N 403.435 1.902 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1-c1ccc(F)cc1 526035950 QUNOMXZSRNBMTG-UHFFFAOYSA-N 411.462 1.065 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)CC2)o1 527251404 RENVQALUZWTEAP-KRWDZBQOSA-N 418.542 1.280 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](Nc2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)C1 553360734 ZFXLKWOQCQVCRR-CYBMUJFWSA-N 404.452 1.697 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)cc1 559171795 FJAFYAYYZVOVBM-VGSWGCGISA-N 422.489 1.482 30 10 HDEE COCc1nc([C@@H]2COCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)no1 561250636 XAWZNTPWOIBPCF-YOEHRIQHSA-N 415.425 1.653 30 10 HDEE CC(C)N1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 561663309 XTPVJRKFQNYIFA-WMZOPIPTSA-N 403.437 1.951 30 10 HDEE COC[C@]1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)OCCc2ccccc21 571100732 WIAYOVUSCNZHIW-QHCPKHFHSA-N 421.501 1.899 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1C#N 575809457 VBNJOBPMFKFZKT-ZDUSSCGKSA-N 418.500 1.574 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCNc2ncc(Cl)cc2Cl)CC1 604173707 UIHJXGNOCLHVPB-UHFFFAOYSA-N 415.325 1.430 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1 610227705 HPPODYDXKXHEOO-UHFFFAOYSA-N 403.435 1.489 30 10 HDEE Cc1cc(NC(=O)C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)nn1CCC#N 611248303 OUGNJTOKWCHQAG-KRWDZBQOSA-N 405.462 1.877 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 619714598 ZLQWMLDCWYNPPK-KRWDZBQOSA-N 406.508 1.518 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC3CC(N(C)C)C3)nnc12 670446073 CHJLLVJUQXBMDT-UHFFFAOYSA-N 412.519 1.531 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)c(OC)c1 674469173 CJBGVFFYKVLMNV-IRXDYDNUSA-N 403.479 1.132 30 10 HDEE C#CCN(C[C@H](C[C@@H]1CCN(S(C)(=O)=O)C1)NCCC)C(=O)OC(C)(C)C 691252460 BVVMNQOYFKHRLK-IRXDYDNUSA-N 401.573 1.897 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1)[C@H]1CCS(=O)(=O)C1 729331850 QUIRNBYNADMKQS-HOCLYGCPSA-N 412.533 1.026 30 10 HDEE Cc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C(=O)N1CCCC1 732416767 AIOVXGLHPMRCGV-VHEBQXMUSA-N 411.462 1.879 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCCN1CCN(c2ccccc2)CC1 735844385 GQIKQEFRGUCCBP-DQRAZIAOSA-N 411.506 1.231 30 10 HDEE CC(C)[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 740505682 DTBAEKGGSOGBNF-CHOFAJOMSA-N 408.524 1.846 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCC(C(N)=O)CC1 744839833 LDSRQJMEPVZCIV-KSSFIOAISA-N 401.463 1.617 30 10 HDEE COc1ccccc1C[C@@H]1CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746865186 AOOHHGHWAWJFFU-INIZCTEOSA-N 413.499 1.967 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@@H]1CCS(=O)(=O)C1 753135225 GTOSKSVCWFPALC-CYBMUJFWSA-N 409.420 1.344 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)CCCCC1 760390087 OOEYHAMLCXSFMZ-UHFFFAOYSA-N 421.523 1.476 30 10 HDEE COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763382124 PLBWDSRWWLGIQV-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 764465665 ZCIPCSMZEFVMLJ-HNNXBMFYSA-N 414.487 1.700 30 10 HDEE C#CCN(C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774049612 UWWYECUQBBBMCN-QGZVFWFLSA-N 407.492 1.975 30 10 HDEE C=CCN(C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 776899441 FKQXGVKDVMJXEV-AWEZNQCLSA-N 402.513 1.214 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 781648062 CEOUROIRCZKYML-QGZVFWFLSA-N 411.527 1.690 30 10 HDEE C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](O)c1ccccc1 808946898 BJZPNYMPRASASJ-KSSFIOAISA-N 404.430 1.375 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNCc1cn(-c2ccccc2Br)nn1 810144805 HZKDVABOXDAIDD-WUKNDPDISA-N 417.267 1.646 30 10 HDEE C#CCCS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 810781448 BYTNCSAGQFGIKN-NJAFHUGGSA-N 418.515 1.938 30 10 HDEE CCN(C)C(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1083971221 HOMMALKFFXLJJD-VIFPVBQESA-N 423.455 1.832 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccco2)n1N)c1ccccc1O 1084652480 IJNAHSAEOUTKSG-UHFFFAOYSA-N 401.452 1.535 30 10 HDEE CN1C[C@H](CCNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1133637735 IUFIQMQUERTGKO-CQSZACIVSA-N 410.434 1.970 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CCN2C(=O)CCNC2=S)cc1 1136408159 FFHDAXVREFBXKZ-UHFFFAOYSA-N 400.504 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1141570673 PIOFAPBSIIAEHD-IIBYNOLFSA-N 416.478 1.695 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCCC[C@H]1S(C)(=O)=O 1147802300 LZLOKRCUGCUECR-HZPDHXFCSA-N 416.496 1.551 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1149972644 XWLLONBPUHBPCX-JSGCOSHPSA-N 406.426 1.917 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 1166117483 VEPAWJTWBUOKBG-UHFFFAOYSA-N 413.430 1.634 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(N2CC[C@H](O)C2)CC1 1174742351 KUSOZWFTZPPSLK-MJGOQNOKSA-N 400.523 1.861 30 10 HDEE N#CC1(NC(=O)CN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CCC1 1196093111 LYLZCJKTEDZMEC-UHFFFAOYSA-N 424.549 1.104 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)c1 1213371796 ZPJKAYRIKBVZTI-RHSMWYFYSA-N 410.492 1.239 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(Cl)c2Cl)CC1 1225261009 NMEWZSQQDSGRLN-UHFFFAOYSA-N 405.307 1.288 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ccccc3C#N)CC2)cs1)C(N)=O 1264888697 ACLCMVSATADZKD-CYBMUJFWSA-N 415.544 1.872 30 10 HDEE C#CCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OC)CCCCC1 1281843138 UTOJMNYNJULDRG-YBRIYBKASA-N 400.519 1.726 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CCOCC1 1286370500 MMPCHARFSOLQSR-UHFFFAOYSA-N 402.524 1.734 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286371697 BBQQQXZNGNJISP-KRWDZBQOSA-N 407.453 1.980 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1286399415 GOEODOGDWJVYPM-KRWDZBQOSA-N 414.535 1.098 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1286433631 YLLVIYGVNQBMLN-UHFFFAOYSA-N 415.494 1.950 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[S@@](=O)CC)CC1 1286490157 MURZRCMMLDZADA-LJAQVGFWSA-N 414.535 1.075 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1 1286504546 NKXIXVLWGPCGKA-UHFFFAOYSA-N 413.507 1.742 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286509170 WCHADFZIDRDFGK-IAGOWNOFSA-N 403.552 1.772 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1286600893 FEJPNQVQJIZPSU-RDJZCZTQSA-N 412.556 1.982 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCS(=O)(=O)CC1 1286712686 HJXISHKLKMYCQW-UHFFFAOYSA-N 411.553 1.461 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OCC 1287776401 JYAIAKVNIVVMRX-INIZCTEOSA-N 421.881 1.516 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1287779869 YVXSYKTYRJCTTC-OAHLLOKOSA-N 414.455 1.084 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C[C@H](CC#N)c1ccccc1 1288699189 IBPRXNWASZDKLX-FQEVSTJZSA-N 406.486 1.965 30 10 HDEE CN(C)c1ccnc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1288871546 JYEYWYJSRFWEPD-GOSISDBHSA-N 406.446 1.541 30 10 HDEE Cc1nc(CCn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)n[nH]1 1290463998 OXPBKFYITNKADI-UHFFFAOYSA-N 420.525 1.838 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(C(N)=O)CCOCC3)C2)C1 1290805787 KDEXQJLFEFQJIX-FAGJFJLWSA-N 420.510 1.172 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(OC)c(OC)cc1Br)C(=O)OC 1297029519 ICGZZMUTPYKQPC-LBPRGKRZSA-N 402.241 1.940 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1300357314 MURZJSNRZWHJPE-QGZVFWFLSA-N 411.485 1.893 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1300498091 GOWGOZJCLMUYBS-HKUYNNGSSA-N 416.547 1.839 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@](C)(O)CCOC 1300538739 UXTYUOPYCPPQLO-DENIHFKCSA-N 410.474 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1300579723 WDMVZZISLCFAOQ-UHFFFAOYSA-N 424.505 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1300581428 SDJQIQCERIDZHT-LJQANCHMSA-N 413.522 1.525 30 10 HDEE C=C1CN(C(=O)CS[C@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1300667441 ZTYIWQDZUCZCOP-OAHLLOKOSA-N 400.504 1.943 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C)CCOCC2)CC1 1300706331 KIZUGTRBCXZECD-UHFFFAOYSA-N 411.554 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301490931 ISIOFRQTNUHXEG-HNNXBMFYSA-N 400.483 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1301491795 ZCMPHFAOZKIMSP-MRXNPFEDSA-N 413.526 1.708 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1301967413 CXDLWXQRGLMVPY-HZPDHXFCSA-N 403.508 1.855 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C)n(C)c1=O 1301969703 OEXQJGGUGBCSFN-HZPDHXFCSA-N 402.499 1.796 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1302167058 OQIMRIPQGLVBFX-LJQANCHMSA-N 407.478 1.840 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC(=O)c2ccccc2O1 1302558840 BEBUGVRQHYCTQN-UKRRQHHQSA-N 413.455 1.375 30 10 HDEE Cn1cnc(-c2nnc3n2CCN(C(=O)c2ccc(Br)cc2C#N)C3)c1 1302574500 HLZYZZXPFANAAH-UHFFFAOYSA-N 412.251 1.969 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(O)nc(C2CC2)n1 1303518738 JWXWKZXDPOEWAL-UHFFFAOYSA-N 415.475 1.195 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccoc2)n1Cc1ccc(C#N)o1 1303813239 BIMVAGLQAWKZNX-LBPRGKRZSA-N 404.452 1.631 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1F 1303900031 MFKVSXVEVKEMIG-HNNXBMFYSA-N 417.466 1.717 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)F 1305793105 WNXFLDZTBAGKBT-ZDUSSCGKSA-N 400.430 1.555 30 10 HDEE CCCN1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1307037627 DEGNLHSNWDLUFB-GOSISDBHSA-N 407.522 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1309595341 SSTFLSMFGYVJGW-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2cccc(-n3cnnn3)c2)CC1 1309738931 HQNAQMWXVITFKF-UHFFFAOYSA-N 409.475 1.481 30 10 HDEE C#Cc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)cc1 1311299694 MQXGCKMDUWBXDJ-UHFFFAOYSA-N 412.515 1.926 30 10 HDEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1314576831 LIEOQABQFDQYFK-ANFHXXKDSA-N 409.556 1.901 30 10 HDEE Cn1cc(Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)cn1 1314904804 ADLXAGOEGQQXTR-UHFFFAOYSA-N 405.510 1.951 30 10 HDEE COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316043231 RKGNHABZXGGKAM-UHFFFAOYSA-N 407.482 1.308 30 10 HDEE Cn1nccc1C1=CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1328260211 IIUAFEQIQQPJKL-SFHVURJKSA-N 418.457 1.813 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@H]2CCOC2)n1 1332146105 VHBOQMKRXLCWPA-IEBWSBKVSA-N 410.526 1.353 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)cc1 1348501052 LVXXILQYNLWEMT-UHFFFAOYSA-N 417.443 1.475 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1358872878 ZROKUXSTXBEHDL-CABCVRRESA-N 420.539 1.578 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1358873160 FDGOHXGDVHXJQH-OXQOHEQNSA-N 424.567 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1358875175 KIUOFJWSQANZKS-NSHDSACASA-N 414.329 1.549 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358946175 LSMRXMDOZMHMFU-MRXNPFEDSA-N 408.428 1.981 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1358946845 LBTYTAWBMQRKQS-UHFFFAOYSA-N 419.507 1.433 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358955460 MMAPTCMEZKETFE-MRXNPFEDSA-N 421.567 1.623 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358960364 CTBMTKQYVQAMAP-HNNXBMFYSA-N 400.464 1.245 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(C)cn1 1359018067 BTWHUWXKJKRIAT-UHFFFAOYSA-N 408.466 1.217 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)C(=O)NCC)CC1 1359045176 YYIMNOLAIMZDNN-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359055551 HIFDCOSHVMERBT-SJORKVTESA-N 403.552 1.849 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1359319955 JIRKJIVRPWFZHS-KGLIPLIRSA-N 417.432 1.980 30 10 HDEE CC(C)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1360304933 SFHAKHCLJGIEIG-CZIZESTLSA-N 415.542 1.895 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)COc1cccc(Br)c1C#N 1437632375 LWJOEVMNYNYBCS-KRWDZBQOSA-N 411.252 1.880 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)c(-c3ccccc3)c2)CC1 1455115832 SJPXBTSLAOMTAH-UHFFFAOYSA-N 413.499 1.588 30 10 HDEE N#Cc1csc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 1456474267 GYFVARWGBMBWGP-UHFFFAOYSA-N 422.488 1.161 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1457006928 NHDWOFGFCQVVIQ-UHFFFAOYSA-N 417.535 1.743 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCC[C@](C#N)(c3ccccn3)C2)cc1 1460606315 PSMRIAMMLXWCAJ-OAQYLSRUSA-N 412.515 1.659 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1cccc(Br)c1 1466105813 ADBFFFGKQLSUMG-CQSZACIVSA-N 423.292 1.691 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1466681856 QRJAEAADYSVSTQ-CYBMUJFWSA-N 419.459 1.620 30 10 HDEE C=CC(C)(C)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1470192918 DUJNIXAOKZVGEB-UHFFFAOYSA-N 424.567 1.658 30 10 HDEE COc1cccc(C(=O)CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1471458994 MCYFSXNKWLDCFO-SFHVURJKSA-N 420.425 1.771 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)c1 1471695156 QLIBEUHMCWNTHU-QGZVFWFLSA-N 406.891 1.585 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C#N)C1 1471765832 HKTIWNOPVYIFFJ-BBRMVZONSA-N 411.911 1.635 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 1471833448 YSRJHNKXWLSDEM-GBXCKJPGSA-N 418.497 1.821 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCC#C[C@@H]1CCCCO1)c1ccc(S(C)(=O)=O)cc1 1472312036 TZWMMZTVNIWWII-PXNSSMCTSA-N 406.504 1.130 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CCOC4=O)CC3)ccc2c1=O 1472605160 POWNLYZLNLFGCL-UHFFFAOYSA-N 414.487 1.928 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cccc(C(=O)OC)c1Br 1475545165 SQMGWWMCNNSNIK-LLVKDONJSA-N 404.282 1.942 30 10 HDEE C=CCn1cc(CNC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)nn1 1478855550 QHWJIFPHJQCUCX-CQSZACIVSA-N 408.384 1.784 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@H]2OC)CCOC1 1502681388 HTLHFRODKCLVOP-YAJHFMINSA-N 423.489 1.424 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCC1 1504888710 ZETRODVDEHYHGI-DLBZAZTESA-N 407.540 1.903 30 10 HDEE CS(=O)(=O)CCCCCn1c(C2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505131233 LWEDZOWPAYQRTP-QGZVFWFLSA-N 406.556 1.547 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1507628209 HDKBPRZSXZYDHF-GJZGRUSLSA-N 405.549 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc2c(c1)OCCO2 1507636861 FCRVJAPTOUDKQX-UHFFFAOYSA-N 407.474 1.503 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCO[C@@H]1C 1507643793 RVGVJPSZXHNZGS-ACJLOTCBSA-N 418.295 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1507652149 YGJVJTUKJNVRBD-UHFFFAOYSA-N 407.453 1.255 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1507689161 HMVCBZNVOGHDBQ-MRXNPFEDSA-N 421.567 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 1507711953 NHUPSRSQMCINOQ-UHFFFAOYSA-N 404.603 1.979 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(COC)CCOCC2)CC1 1507732787 KWHREZHCJJVOAN-GOSISDBHSA-N 403.527 1.328 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1ccnc1C 1507764981 QALJXADRDTYULW-KBXCAEBGSA-N 405.528 1.086 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507844773 PGDNTNHAFCPKJG-PXNSSMCTSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OCC)C1 1508087183 OEDPOIRQPXTZMX-AWEZNQCLSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1508091979 ONJSXHFXKXVLII-MSOLQXFVSA-N 413.526 1.590 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCCN(C(C)C)CC1 1508136451 GRRYPDBLYZBIEN-UHFFFAOYSA-N 420.583 1.805 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1511604592 DTXVWGCJPSUTBG-MRXNPFEDSA-N 400.487 1.130 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1517218935 QJPQDCDJCCIGFS-GOSISDBHSA-N 407.482 1.899 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccccc2S(=O)(=O)CC)n1 1524967640 BYALKNBGTGPMJJ-UHFFFAOYSA-N 403.504 1.528 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(C)(C)c1cccc(C#N)c1 1528448748 GCWJZNFAKFRTMG-UHFFFAOYSA-N 416.503 1.583 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1539085677 PCESSUPVFYUTTI-IRXDYDNUSA-N 418.542 1.197 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(N2CCCNC2=O)CC1 1539525167 VNDWEAAZXCYPCH-UHFFFAOYSA-N 402.568 1.981 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540870851 YKLNIJDCBXCSDH-QGZVFWFLSA-N 400.527 1.829 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1540872633 VREICWODFFRGIB-UHFFFAOYSA-N 414.485 1.402 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540905506 SSLUZRQUVJIRGY-CYBMUJFWSA-N 409.478 1.514 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1 1543315384 XNKOTFZTCXJPIT-KRWDZBQOSA-N 402.495 1.568 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CC2)cc1 1544462309 ATIGGLCWHAFPQO-FXBPSFAMSA-N 406.508 1.303 30 10 HDEE C=CCCn1cc(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)nn1 1544929020 AJAXQVQCKYZBTP-UHFFFAOYSA-N 424.549 1.955 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1555240332 FWBVOLNKHGDRQF-WMZOPIPTSA-N 424.505 1.822 30 10 HDEE CS(=O)(=O)CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1)C1CC1 1555805780 QMIXRIXPHRKFOX-UHFFFAOYSA-N 412.475 1.866 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C(=O)OC 1556970447 YEAAAHLBCWEESV-SFHVURJKSA-N 422.503 1.167 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(=O)n(-c3cnn(C)c3)c2)C1 1557243114 LPZXECCKUPJPHG-IBGZPJMESA-N 402.458 1.794 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1558709570 BXXDUVDJWSGFQH-AWEZNQCLSA-N 420.422 1.371 30 10 HDEE C[C@@H](CC(=O)NCc1ccc(CCO)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1558724046 HLSLLGLCDIVEME-AWEZNQCLSA-N 401.488 1.355 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1561574801 FQUMTKHQOSCVPY-GFCCVEGCSA-N 422.320 1.809 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c(C(F)(F)F)c1 1561638696 IFOROESNJVUQCF-TZMCWYRMSA-N 424.422 1.154 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)ccc1OC 1564025074 HYWUUHJSQIWKCE-MRXNPFEDSA-N 424.523 1.586 30 10 HDEE CCON(C)C(=O)CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1565023776 IXQQOYKZAUOUNR-UHFFFAOYSA-N 402.411 1.048 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccnc(Oc4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1565028155 NCSCVEUOHYOMOC-JXFKEZNVSA-N 412.471 1.954 30 10 HDEE COC1([C@H](C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1584140433 UKDVLJXLBJXAGR-WMLDXEAASA-N 414.462 1.464 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC1(C#N)CCOCC1 1587218853 XUVMOUBQJQPAFQ-HNNXBMFYSA-N 409.483 1.708 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1587626797 OVOYRFFKHKXNIU-ZNMIVQPWSA-N 404.515 1.943 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1587758919 JSVJFFUQPBXABD-QGZVFWFLSA-N 416.526 1.947 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C1CCOCC1 1587810809 VBWSXVHPYBRQQT-HHNWVZKSSA-N 409.486 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCS(C)(=O)=O 1588200360 MSPDVNWPPBAMIG-UHFFFAOYSA-N 405.911 1.891 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCC(=O)N1CCOCC1 1588246017 ZAIKLSRISZZFFR-UHFFFAOYSA-N 419.529 1.775 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1588385236 GOZKBFMXCLCYLN-CQSZACIVSA-N 406.483 1.836 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1 1589516096 WOFKEQQNYWFZNO-RDJZCZTQSA-N 403.508 1.556 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1594855817 CZRNHCWVDXQLCO-CQSZACIVSA-N 404.540 1.833 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(C)=O)CC1 1595267746 ZMNRCVVBZDWBEI-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1595608288 QGDITWHXNHORHY-BMFAXAFESA-N 419.526 1.310 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1597232765 DPRYWPSZTLVGBJ-AWEZNQCLSA-N 401.515 1.985 30 10 HDEE CCC(=O)N[C@H](CCSC)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611649005 RHSPIFXUMUULOR-OAHLLOKOSA-N 407.492 1.538 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1611778037 AWMYMEZPGXKRRH-VGOFRKELSA-N 424.505 1.857 30 10 HDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc(C)c(Cl)c3)S[C@H]12 1614386309 XWXIBIPSFKQPFP-AKSVOJBYSA-N 413.927 1.214 30 10 HDEE O=C(NC1CCCC1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1616174981 ISTUZDBONWDDQH-PXZKYJSBSA-N 419.503 1.277 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCOC[C@H]3C#N)ccc2NC1=O 1617304113 DGOSKBGKMRIAMI-WBVHZDCISA-N 414.462 1.829 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)NO)cc1)C2=O 1618008459 VQCMVLAMKPFDRA-STQMWFEESA-N 402.451 1.169 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1620052705 BLUOKVBPVMZMQM-MSOLQXFVSA-N 410.478 1.337 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1624818982 CKCOGMAWGFWVPP-OAGGEKHMSA-N 408.499 1.137 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCCc2nn[nH]n2)cc1 1625218958 XSHAUYQOPPCGBE-OQKWZONESA-N 419.511 1.754 30 10 HDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[S@@](=O)C1 1625221155 QKHYPFWWPUAMND-FNODVLLQSA-N 410.337 1.984 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1)c1cc[nH]n1 1626219207 TYJFGBFRUUTONW-IBGZPJMESA-N 408.455 1.131 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1627643940 NCJXZOYZFFXMBN-UHFFFAOYSA-N 411.437 1.294 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1 1628386255 RTFXLZZKSHTXTG-FOCLMDBBSA-N 404.373 1.326 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nn(-c2cccc(F)c2)c2c1CCC2 1628386563 WICVPCITPXSZRK-XUTLUUPISA-N 409.421 1.756 30 10 HDEE C#CCC1(NC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1630459904 BHEHRQGRPDKFFL-UHFFFAOYSA-N 419.547 1.959 30 10 HDEE C=C(C)CONC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1631897480 OJBCREXOGYNRJE-UHFFFAOYSA-N 409.464 1.393 30 10 HDEE C#CCCN1CCC(NC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1634356122 UUTUEVLSNOYWJD-REWPJTCUSA-N 413.518 1.752 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1635204003 SPXTZEIKFKVENW-RDTXWAMCSA-N 404.529 1.556 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(N)(=O)=O)c(Br)s1 1635753416 WBUYQLAXBFHBOD-UHFFFAOYSA-N 410.359 1.738 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2SCC)CC1 1638252111 GDYZEKUWZHWCPP-UHFFFAOYSA-N 410.565 1.136 30 10 HDEE C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1638404003 GEXLSYXLGONCRJ-GDBMZVCRSA-N 421.519 1.805 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1640187313 WFYYYUPIXUZRNB-GOSISDBHSA-N 417.531 1.172 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](CCCN(C)C)C2)ccc1F 1641356380 PVRGXKWKXZPDNF-INIZCTEOSA-N 413.515 1.473 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1[N+](=O)[O-] 1642539470 COHPIWLYNHRQDF-UHFFFAOYSA-N 400.416 1.806 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1643305767 VWCBAQYNALCXFG-CQSZACIVSA-N 404.414 1.454 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)c1 1643853871 DWCUYPRKKYRAQY-KRWDZBQOSA-N 408.520 1.942 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)CCc2cccc(C#N)c2)cc1 1648320811 FGHIDKQLRQNILF-HNNXBMFYSA-N 401.488 1.935 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1648446226 VDTUEMKKRYGLBJ-SHTZXODSSA-N 422.507 1.256 30 10 HDEE C#CCN(C(=O)c1nc(OC)cc(OC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973016 AOYSFZRNCRYGKL-UHFFFAOYSA-N 404.467 1.969 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)c(=O)n1C 1652997874 HBRJIDSMEOSOJB-UHFFFAOYSA-N 423.454 1.680 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1COC)C(=O)OCC 1656399589 BTEJRFUHXQXVEL-AWEZNQCLSA-N 419.883 1.972 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1658501544 KVWDWSPSGFITOO-HEHNFIMWSA-N 404.492 1.491 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1CC#CCN1C(=O)c2ccccc2C1=O 1660621077 OMDMCMSRUZMITK-HXUWFJFHSA-N 404.422 1.592 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2nc(-c3ccccn3)n[nH]2)c1 1661978985 BSZSGQNAQCKWMI-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 1662072731 NTJGNRNQTIQDSB-KGLIPLIRSA-N 408.567 1.242 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)C1 1667648645 HRVXTVNGPNXVHF-OAHLLOKOSA-N 407.492 1.486 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 1669290841 CDGPOBGZUPKQES-UHFFFAOYSA-N 420.512 1.717 30 10 HDEE Cn1cc(CNC(=O)N2CCOC[C@@H]2c2ccnn2C)c(-c2ccc(C#N)cc2)n1 1671561389 FNNDGMJVXHEWAC-LJQANCHMSA-N 405.462 1.975 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCO[C@H]2C(=O)OC)cc1 1673398748 QOARVNZDSPZHCO-CZUORRHYSA-N 411.480 1.193 30 10 HDEE C=CCN(C(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)[C@@H](C)COC 1674589544 BVEZLKKPLNOCEF-ZDUSSCGKSA-N 409.487 1.939 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1682373475 IULVANGZTQLCLC-HZPDHXFCSA-N 423.514 1.120 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@]3(C)COc4ccccc4O3)CC2)c1C#N 1684177063 FMSKEJVXLKQBNM-OAQYLSRUSA-N 410.478 1.662 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)CC1 1687354740 JQIKESLMBPYGPR-UHFFFAOYSA-N 411.428 1.909 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1689825818 CZIPPOHFVJUYBI-KGLIPLIRSA-N 418.523 1.353 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1690104063 LPJSKFHFCSKTNY-ADXZGYQBSA-N 416.547 1.795 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ncc(CC)s2)CC1 1690120349 RMBXIXCWNSACRC-UHFFFAOYSA-N 410.551 1.695 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)NCC(F)(F)F)CC1 1690137277 SCTXIXIKZXBTDH-UHFFFAOYSA-N 414.432 1.046 30 10 HDEE C#CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1690186765 URESADBVGNGHCV-HXUWFJFHSA-N 421.567 1.355 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1690206672 WZFPKESVDIPQNQ-OXJNMPFZSA-N 406.552 1.989 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1690570224 ZTNKBBXVJFJXLA-DYESRHJHSA-N 415.469 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690668135 UNOOHBYTTJWIRD-INIZCTEOSA-N 411.510 1.383 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1C1(c2ccccc2)CCC1 1690676900 IBTZPHHUQNJYOT-KRWDZBQOSA-N 422.533 1.717 30 10 HDEE C=CCNC(=O)Cn1c(N2CCc3oncc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690677079 MHIBWBUAGIYUAL-HXUWFJFHSA-N 416.482 1.172 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1692729184 GKVCMWAKIMROAB-APWZRJJASA-N 407.522 1.860 30 10 HDEE C[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCCO1 1693758027 BTEYBCHPGXWGEP-STQMWFEESA-N 408.484 1.016 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1695919041 GYOBZEVSWPZPSJ-HOTGVXAUSA-N 402.499 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccco1 1705486224 ZJSMKHJZHGNYTO-BTYIYWSLSA-N 418.461 1.879 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705526575 HJYRRAXURKJPFM-UHFFFAOYSA-N 417.473 1.751 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705553099 TUHIIOYDOOWBNJ-PXNSSMCTSA-N 405.568 1.449 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705566414 NWFIDLOREKZYJQ-UZLBHIALSA-N 417.535 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CN1CCN(CC)CC1 1705579920 YNCNQIYEVAKZEC-LJQANCHMSA-N 408.554 1.025 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC[S@](=O)CC 1705628338 DEGULWJWJQRRKZ-RBSBEOHCSA-N 418.519 1.645 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)CCOC 1705678875 SKRIIJRGAZOYEJ-ZCLUNYJNSA-N 406.527 1.782 30 10 HDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705756679 KRJFDVWLTNXJQT-HNNXBMFYSA-N 415.885 1.489 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1705882688 GTLDCDLVBDTJLA-UHFFFAOYSA-N 417.473 1.998 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cnnn2)C1 1705924416 WKYPZCMOYBMYCX-SFHVURJKSA-N 412.473 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCO[C@@H](C)C1 1705937197 MBIILYSGUVTTJJ-INIZCTEOSA-N 405.524 1.480 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(F)CCC1 1706622256 ODSQUDCSOCFLPS-MRXNPFEDSA-N 403.506 1.875 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)CCOC1 1706678146 CQRXUVFGTOXDLS-JXFKEZNVSA-N 405.499 1.353 30 10 HDEE Cc1c(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)cnn1C 1707017594 PDQVTLQUBRIQMZ-UHFFFAOYSA-N 407.478 1.932 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1709900682 GFHNILJNUQFLKJ-UHFFFAOYSA-N 411.510 1.503 30 10 HDEE CCOc1ncccc1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1710572938 NKTNTBCKRJLBSK-DOTOQJQBSA-N 416.482 1.573 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OCC 1722344159 HKLFZYIWYPZWQN-OAHLLOKOSA-N 405.524 1.599 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1722364775 AIVQYRWUPUJXLN-GOSISDBHSA-N 416.551 1.768 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@H]2C)C1 1722712311 PPNMHOGGSGFTHP-MSOLQXFVSA-N 400.527 1.786 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1722850110 BYPZLPMSJOFITB-OALUTQOASA-N 421.505 1.590 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1726751782 HYVLAZXKOREHHH-MRXNPFEDSA-N 414.535 1.106 30 10 HDEE CCOCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1729164386 BEDLWSOKODZYGH-OWCLPIDISA-N 420.514 1.814 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CC1 1729312990 DUVVKASOKRQKMU-UHFFFAOYSA-N 419.489 1.668 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C1=O 1729593349 VALHVWWOJQIEEF-QFIPXVFZSA-N 421.505 1.387 30 10 HDEE COCCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1730687638 PCNMVCGHNJBEHD-ZMMDAZFZSA-N 404.471 1.129 30 10 HDEE COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1730733714 CAKNPYDFDIEZNS-GOSISDBHSA-N 407.519 1.654 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740579229 QLSNIQHKYVXUTM-UTKZUKDTSA-N 403.527 1.824 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740623238 QHDXYVCLTSYAMN-GJZGRUSLSA-N 418.548 1.115 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NC(C)C)CC1 1740704717 SCVDFBGRNIBVDK-UHFFFAOYSA-N 423.521 1.221 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(O)(CC)CC)CC1 1740706929 IXBMBDKPSSIQOU-UHFFFAOYSA-N 424.549 1.781 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1740769324 KMYGLKIATYOLFA-UHFFFAOYSA-N 405.524 1.839 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1740940468 HLLIAIURYKXZIQ-HNNXBMFYSA-N 409.556 1.780 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740948555 NNUICOJERMCFJH-UHFFFAOYSA-N 404.412 1.609 30 10 HDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(=O)NC)CC1 1740949242 BEBDSTBPBUYHFE-HNNXBMFYSA-N 419.530 1.998 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN([C@@H](C)C(F)(F)F)CC2)nnc1C(C)(C)C 1740966282 XAPWQRNAFSQXKN-ZDUSSCGKSA-N 402.465 1.951 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740968139 CNAMCAGJZJNJFY-QGZVFWFLSA-N 424.549 1.989 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1740982336 UZXIXYGHPODCMP-MSOLQXFVSA-N 404.559 1.565 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1741131691 HCJCNVFMNBVMRW-HKUYNNGSSA-N 403.575 1.651 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1742364306 OMIGNGNLBWGCDZ-WIYYLYMNSA-N 413.478 1.700 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1748105399 HFYLNIVRCJASKC-HNNXBMFYSA-N 423.521 1.694 30 10 HDEE C#CCN(c1nnc(C)n1CCN1CCc2sccc2C1)[C@@H]1CCS(=O)(=O)C1 1748805554 UPAVMXBFTMTIJC-QGZVFWFLSA-N 419.576 1.333 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808656 FMRPLARUNGPBET-RTBURBONSA-N 414.531 1.997 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1Cc1cnnn1C 1748902614 PYPHNIACYFDBDB-UHFFFAOYSA-N 419.489 1.896 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CN(C)C)CC1 1749328979 FLFNQXDMVDAKMU-HNNXBMFYSA-N 412.604 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749721913 WKTRDJWZVGNQHT-MRXNPFEDSA-N 411.572 1.745 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)COCCO1 1750133370 RTMOFOAQOANHSH-WFXMLNOXSA-N 419.526 1.938 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2cccnc2)nnc1N1CC=CCC1 1750417096 AEINWAAAPUXOPR-VXPUYCOJSA-N 405.462 1.557 30 10 HDEE Cc1nnc(N(C)Cc2cc(Cl)ccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1751879013 YKSCEBODKLFYJB-WUKNDPDISA-N 401.858 1.798 30 10 HDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCCNS(C)(=O)=O 1751918402 RRCNHZCAVLDNLG-LJQANCHMSA-N 416.551 1.857 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1752335551 LDBRRKPBJASCOR-ORQRPPJRSA-N 408.466 1.354 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760124043 DPBXOVIAPRFPGK-XWTMOSNGSA-N 421.567 1.792 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCOC 1760147469 SMZQYHZHZQWZJZ-UHFFFAOYSA-N 405.524 1.691 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760161579 JSTJQROBSGCKHT-WOJBJXKFSA-N 422.533 1.892 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCCC2=O)cc1 1760170297 XFLKVJQMWCOACJ-UHFFFAOYSA-N 403.490 1.919 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1760218702 LNFOMLFGYSZIHS-HXUWFJFHSA-N 420.517 1.525 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](COC)OC)CC1 1760262269 KJRGOLQQQKGMHO-IBGZPJMESA-N 413.522 1.294 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(=O)NCC)CC1 1760262617 SWVZEVCLCPBEOA-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760401395 IIIHYGFDTTUVAM-APWZRJJASA-N 410.540 1.124 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1760407346 ANLPNVRQVJGZCC-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1760473295 PQEAAHQWBSSXOQ-MSOLQXFVSA-N 402.543 1.741 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760518134 JTLVXUVJFVQINB-KRWDZBQOSA-N 424.505 1.457 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)C1 1760534766 GBASZLWELXXZOM-HOTGVXAUSA-N 420.539 1.421 30 10 HDEE CCC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763940558 CLOZFMBUVSQPJU-KIJUOZEOSA-N 402.499 1.933 30 10 HDEE CCc1nnc(N2CCc3c(cccc3OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764847260 GOWLHMIDLPRAIU-MRCUWXFGSA-N 422.489 1.938 30 10 HDEE CCCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765910838 SOUZPPXBDNDYQD-UAMJFUFUSA-N 418.498 1.303 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1769286297 RUIRTVWGTFXFTF-GOSISDBHSA-N 412.494 1.585 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCN(C)C1=O 1848768226 DSNXBIISSIEGAY-GOSISDBHSA-N 405.520 1.720 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 1850418506 XHRGTWRWHFGQQH-IBGZPJMESA-N 407.474 1.460 30 10 HDEE N#Cc1cccc(NC(=O)CN2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)c1 1850611349 MJGPFMSOYWSBHJ-UHFFFAOYSA-N 402.462 1.634 30 10 HDEE COc1ccc(CC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1OC 1851230607 RLNVRJNBSGGVJR-UHFFFAOYSA-N 420.473 1.775 30 10 HDEE C=CCN1CCN(C(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)CC1 1851781130 NLXSUGIWMHANMW-UHFFFAOYSA-N 406.490 1.505 30 10 HDEE N#Cc1ccc([C@@H](CC(=O)OC[C@H]2CNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1852606109 CWNJFJPKEHIONC-UYAOXDASSA-N 419.437 1.704 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2cc(C(=O)OC)ccc2N2CCSCC2)CC1=O 1852864748 HAQZZNYBLVBKJP-OAHLLOKOSA-N 403.504 1.999 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)c1 1853266103 XXVQSIQLFBMTAX-CQSZACIVSA-N 409.446 1.719 30 10 HDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 1853614853 NGVTVIVIIXCDRF-AWEZNQCLSA-N 409.446 1.160 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2=O)cc1C#N 1853949842 LHRNZGBLYSDURM-UHFFFAOYSA-N 415.446 1.820 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC)c(OC)c2)C1=O 1854211971 YQUFTAZRLPXSOX-JKSUJKDBSA-N 401.463 1.164 30 10 HDEE C=CCN1CCN(C(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)C(=O)[C@@H]1C 1854282099 AUAXEZAHAYKIGZ-ZDUSSCGKSA-N 400.504 1.986 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1=O 1854522233 BMAFKRGHIQOTRV-AWEZNQCLSA-N 405.476 1.931 30 10 HDEE Cn1cnnc1C1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1854658390 GVWRESRPWALCRD-LJQANCHMSA-N 406.490 1.626 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(CCn4cccn4)CC3)CC2=O)cc1 1855336688 DTNQSUHRNXJYBU-LJQANCHMSA-N 406.490 1.061 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C[C@H]1C 1856876434 WUMVNWRKOYCUTA-HIFRSBDPSA-N 405.476 1.309 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CSc3ccncc3)C2=O)CC1 1857072399 DSBCCMUCZWACDL-SFHVURJKSA-N 422.514 1.390 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@@H]1CCN(C)C1=O 1857269375 MHVJPESPKLBBRT-TZMCWYRMSA-N 409.437 1.065 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@@H](N4CCC(CC#N)CC4)C3=O)nn2)n1 1857387613 RZTJUOZEUDNUOG-GOSISDBHSA-N 407.478 1.646 30 10 HDEE CN(C(=O)c1cccc(C#N)c1)[C@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1 1858192997 BHLKNWNRSKMIMO-ZWKOTPCHSA-N 418.496 1.270 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccc(C#N)cc4)C3)ccc21 1858415724 HKMOBSWKHXTLMG-OAHLLOKOSA-N 424.482 1.726 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860959386 DFBOLPGNJDWYAT-RDTXWAMCSA-N 406.442 1.813 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCOCCO 1870529285 FTYRRNCNFXMTLX-SFHVURJKSA-N 421.538 1.325 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cc(OC)ccc1OC 1874471252 VUJPHNPDFXPCJD-CIAFOILYSA-N 421.523 1.985 30 10 HDEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2040470384 XVTADFOCMUWBPW-UHFFFAOYSA-N 404.517 1.623 30 10 HDEE CC[C@H](C)[C@@H]1NC(=O)[C@@](O)(C2=Cc3c(oc(C)c(C)c3=O)[C@@](C)(CC)C2=O)C1=O 2069682325 VBTZAIPQSNXYCM-FWQFMRFJSA-N 401.459 1.735 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C#N)s2)CCO1 2118167499 BGRORAXRSJUUJF-NEPJUHHUSA-N 401.510 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118170477 QZLQGXRGRKJWHA-ZIAGYGMSSA-N 404.558 1.409 30 10 HDEE C#CCC(C)(C)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2173474985 YCGCGMZVSFKAHH-HHHXNRCGSA-N 400.545 1.975 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NCC(C)(C)N1CCN(C(=O)OC(C)(C)C)CC1 2194718542 TYOCDFMUODLZEJ-UHFFFAOYSA-N 402.561 1.787 30 10 HDEE C=C(CNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1)B1OC(C)(C)C(C)(C)O1 2197722891 KTCDEPYXDLLTEW-UHFFFAOYSA-N 401.315 1.556 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2212741845 DETGUKBYCZDSMF-UHFFFAOYSA-N 405.304 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243387139 ODQDLVBVUCFRKP-TXEJJXNPSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2243435246 NNUFHRHBKVADLV-UHFFFAOYSA-N 406.288 1.946 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@]1(C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674308 HRLJVWOFHJLWKW-VBKZILBWSA-N 408.304 1.667 30 10 HDEE C=C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269027300 XVYVHYPNCGWCJV-VIFPVBQESA-N 407.706 1.618 30 10 HDEE CN(CC1COC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269806513 DNCJUYONWNBQDA-UHFFFAOYSA-N 407.750 1.968 30 10 HDEE N#Cc1cc(F)ccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270509465 PVYSGWZGOVAQAS-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE C=CCCC1([C@@H](O)CS(=O)(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 2280954894 SQTBJJXSILGPDP-HNNXBMFYSA-N 404.529 1.213 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](OCCN)C3)c2Cl)OC1(C)C 2281939499 FOFYHBWUJQZSDD-NSHDSACASA-N 400.737 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCN[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282303945 CVBZEUDWYCMACO-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCNC[C@H]3C#N)cc2Cl)OC1(C)C 2282305081 SXZCOCQOFVKABI-SNVBAGLBSA-N 417.749 1.187 30 10 HDEE C[C@@H]1C[C@@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331890 SWFDPZIDHPQZGA-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC(C)NC(=O)CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334977 IXGULHXYEIVJKY-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCCC[C@H]3N)c2)OC1(C)C 2282341913 ZMHJYFRRMZZYRS-ZIAGYGMSSA-N 400.375 1.986 30 10 HDEE CC(F)(F)C[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282348818 PVQBHBNKJHXCRZ-JTQLQIEISA-N 411.301 1.732 30 10 HDEE C[C@@H]1OCCO[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282422594 DFJWQHWPIRBPJB-AAEUAGOBSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282537191 MQJNFSRYBQKQML-LBPRGKRZSA-N 401.315 1.139 30 10 HDEE CN(Cc1csnn1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877928 YQXZXMITFCOQRU-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C1 2284064606 ZMARPMMCQIMSNJ-CYBMUJFWSA-N 405.347 1.157 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)OC1(C)C 2284400567 WVUURUXJCSKVPE-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401993 FRCRMRROKVVMKL-MFKMUULPSA-N 403.331 1.825 30 10 HDEE CC(C)[C@H](C(=O)O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284402142 GOJMRZNHALMWGV-GFCCVEGCSA-N 403.331 1.777 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCO[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284456626 DCPZIJIJMLSIPU-ONGXEEELSA-N 401.677 1.673 30 10 HDEE COCCN(C[C@H](C)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2288010429 MEBJXHWSUVMDAP-LBPRGKRZSA-N 405.347 1.065 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 2300225498 NDNWVZUVPNFDBF-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE CN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](CC#N)C(F)(F)F 2335515436 MDGNWKXLMYSVKK-NXEZZACHSA-N 401.407 1.227 30 10 HDEE Cc1cc(S(=O)(=O)NCCSCCO)sc1B1OC(C)(C)C(C)(C)O1 2335623497 DGHJWALAMJOIAJ-UHFFFAOYSA-N 407.388 1.360 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2365196449 MEKGRICOXKZVSF-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(C)(NC(=O)OC(C)(C)C)C1 2365208195 CCGIGXBGFQBETH-YCMKEVRSSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 2365214368 ZTMLEGKRRHQVNH-XHSDSOJGSA-N 404.573 1.703 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367794948 KBKKMDJLCIJURO-UGSOOPFHSA-N 401.481 1.436 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)C[C@H]1CCCCS1(=O)=O 2368847846 SPOFQEJLQXVBKC-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE C=CCN1C(=O)c2c(C(=O)OC)ncn2C[C@]1(C)C(=O)NCc1ccccc1OC 33265997 SEHGFXFBFSCHTQ-OAQYLSRUSA-N 412.446 1.395 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nccs3)n[nH]2)cn1 59886848 PZXVNFAMINAURD-OMCISZLKSA-N 407.485 1.281 30 10 HDEE Cc1ccc(N2CCN(CC(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 238934663 VJVJDDRWIAZHBH-SFHVURJKSA-N 420.473 1.969 30 10 HDEE NC(=S)N1N=C(c2ccccc2)C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 254843054 VRYXAIHNIVNOPB-UHFFFAOYSA-N 413.375 1.761 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccccn2)C1 256033012 KKAFLROMCPEWNH-NFAWXSAZSA-N 422.445 1.580 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 409572805 GQDSGJDZRPNXIL-CYBMUJFWSA-N 400.451 1.449 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)CC1 430230090 GVSZUHJWXTZDPO-QHCPKHFHSA-N 413.566 1.671 30 10 HDEE COCCN(C(=O)c1cc(C#N)cn1C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 433493397 JXZPGHQSFWCOLG-UHFFFAOYSA-N 422.445 1.083 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 437870376 UKHXNJCAYMYBGC-HLLBOEOZSA-N 412.446 1.611 30 10 HDEE COC(=O)CC1(NS(=O)(=O)c2ccc(Cl)cc2C#N)CCS(=O)(=O)CC1 439089231 JGJDZKBDMFATSY-UHFFFAOYSA-N 420.896 1.000 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C1(c2ccc(C#N)cc2)CC1 444032568 CUIBUURVKYJMQX-UHFFFAOYSA-N 413.499 1.519 30 10 HDEE CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCOCC1 466622079 WURDYBQORJVPRI-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)C1=O 467679548 ZFXUOSKWOWUVLJ-QZTJIDSGSA-N 404.486 1.895 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)ccn1 474186925 AOCCPZFOQAKICY-UHFFFAOYSA-N 410.377 1.517 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 480160062 KXXNBLQELXFSHV-OAHLLOKOSA-N 403.468 1.027 30 10 HDEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 489875605 SDBKWMJDWFBGRZ-NXEZZACHSA-N 408.509 1.617 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 498712584 ADWSHNREPOMOFF-KRWDZBQOSA-N 409.534 1.963 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCOCC4)n3)cc2C1=O 503979025 JCRMULKVWINGJG-UHFFFAOYSA-N 406.442 1.948 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508798529 UMDHFPBLLUDZGY-AWEZNQCLSA-N 421.523 1.618 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(COc2ccccc2C#N)c1 514234466 OJZZQNSBMLWFAS-LJQANCHMSA-N 420.469 1.604 30 10 HDEE C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 524690147 FLTIYYMBRXISLE-FZDIXFNVSA-N 417.531 1.845 30 10 HDEE Cc1noc([C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 531481223 VGBVDZIFVSIZSD-LBPRGKRZSA-N 404.452 1.027 30 10 HDEE Cc1nccc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)n1 545397516 PATBPLPFWWWMQV-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE Cc1nn(C)c(C)c1CN1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 559473215 GUPHEUMZDCFMDU-UHFFFAOYSA-N 406.490 1.142 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1S(=O)(=O)NCC#N 560918812 SZSJEVKDUBABSZ-OAHLLOKOSA-N 415.475 1.687 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)c1 564528235 FYLIQZNVCVSGBA-UHFFFAOYSA-N 408.505 1.538 30 10 HDEE CCOC(=O)C(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 608952046 ARUOJRGKSXGZPU-UHFFFAOYSA-N 407.492 1.417 30 10 HDEE N#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 609601536 VYKWHEWHDMSGRZ-INIZCTEOSA-N 423.491 1.832 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(-n3nnnc3C3CC3)c2)c(F)c1 610377365 HEJULGHXNAEDEF-UHFFFAOYSA-N 423.383 1.944 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2CCN(Cc3nccn3C(F)F)CC2)cc1 610989190 XEXGXQBGCBQLQP-KRWDZBQOSA-N 405.449 1.902 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 615882114 SIVGXIUAMYXGNI-UHFFFAOYSA-N 406.508 1.926 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1 679528761 ZOPCMFBVBIAXOU-UHFFFAOYSA-N 401.460 1.160 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418804 XHPGHINYOKMWTP-UHFFFAOYSA-N 419.462 1.463 30 10 HDEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)c1cc(F)ccc1F 730293689 OFQSDOUFDBXFAV-LLVKDONJSA-N 408.382 1.929 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 730722465 AMGAZMUGUDLBEP-OAHLLOKOSA-N 410.459 1.955 30 10 HDEE C#CCN(CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 731213187 VMHCSDPIONXETA-INIZCTEOSA-N 402.438 1.700 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCCC2=O)cc1 732455994 YRXSNFNHHBWVAU-YISVQYQQSA-N 411.462 1.700 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCOC2)C1=O 751669635 VPOIJUXNYUTIGF-HZPDHXFCSA-N 408.499 1.614 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 752268607 QDSLYFJSBJWUJZ-UHFFFAOYSA-N 423.857 1.356 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 753743677 NXSYCALFDVCQMU-PLNGDYQASA-N 422.507 1.689 30 10 HDEE C[C@@H](CC(=O)N1CCc2ccnc(O)c2C1)/N=C1/NS(=O)(=O)c2ccccc21 755501086 OGLATUPOASULBM-LBPRGKRZSA-N 400.460 1.189 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 756883303 RYNDMBZCYAJGKK-HIFRSBDPSA-N 408.480 1.084 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)CC2)n1 760655683 JNGCILHCNBNCPG-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O 767548722 LGJVEBMDLRRFHR-SFHVURJKSA-N 402.407 1.748 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(F)cc1Br 769847828 CXKYRWMRYYSWMA-AWEZNQCLSA-N 421.244 1.678 30 10 HDEE Cc1cc(Br)ccc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 770242756 ARDMBJBKSXBFTJ-PFONDFGASA-N 414.281 1.562 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775985576 CPPWCDMTKPNEKE-LHKXHVCISA-N 421.523 1.617 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)cn2)C1=O 781058587 QHHLYKFUCGEKPP-NRFANRHFSA-N 407.430 1.354 30 10 HDEE COC[C@@H](CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N)OC 781104414 UILHQXGFBOJZIA-WBVHZDCISA-N 416.503 1.820 30 10 HDEE C#CCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CCS(=O)(=O)C1 781480302 HOXAQFCLXQHQLQ-CYBMUJFWSA-N 401.423 1.537 30 10 HDEE CS(=O)(=O)CCOCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 782693030 CATREZNFQJUWMC-UHFFFAOYSA-N 411.871 1.580 30 10 HDEE CN1C(=O)c2ccc(S(=O)(=O)NC(=O)c3ccc(C4(C#N)CC4)cc3)cc2C1=O 785961703 ICTIRKLIJWLGKD-UHFFFAOYSA-N 409.423 1.586 30 10 HDEE CC[S@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787884971 NJDGSKLHYQQGDL-NDEPHWFRSA-N 404.492 1.093 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(N3CCOCC3)n(CC)c2=S)n1 788370649 WAHOICKGOOLCDR-UHFFFAOYSA-N 419.555 1.206 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 788818826 AAANBZWXBBASCX-LJQANCHMSA-N 409.490 1.439 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)n1 789087653 VGIRREBPIHEJBX-GOSISDBHSA-N 411.506 1.962 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 790104663 IVIBRIPLFAGWCV-NRFANRHFSA-N 408.502 1.991 30 10 HDEE COc1ccccc1CS(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793209684 PTPWHQZJYVTOFQ-UHFFFAOYSA-N 418.475 1.726 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796416753 MTKYLLLXVNLGSM-QFBILLFUSA-N 402.495 1.852 30 10 HDEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 799035013 QRFLJOLCHPCZAZ-AMGRQBIBSA-N 419.865 1.847 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc(OC)cc3OC)n2C)n1 809869488 UQTFYHJYGSBHBK-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2C(=O)NC(C)(C)C2=O)c1)[C@H]1CCS(=O)(=O)C1 812973735 JFSONBPEKXNRKO-HNNXBMFYSA-N 418.475 1.176 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 887546263 IOMMEEMLYOOAJW-MRXNPFEDSA-N 418.457 1.585 30 10 HDEE Cn1cc(-c2noc([C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)c(O)nc1=O 904837157 OKHPEKLEMSOAAQ-JTQLQIEISA-N 412.793 1.581 30 10 HDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC 916934298 FJSHJFMJMTVGPM-INIZCTEOSA-N 420.425 1.841 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cn1 1084270353 ZDEQLVZADZCCGI-UHFFFAOYSA-N 415.458 1.690 30 10 HDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 1084383760 MGVNBMMTVODIGK-UHFFFAOYSA-N 413.423 1.472 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1124794971 BZMGUADBPAQPBH-QGZVFWFLSA-N 413.927 1.644 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)CC3(C#N)CCOCC3)cc2)CC1 1126032983 APBVHPCQFMUGOP-UHFFFAOYSA-N 400.479 1.631 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC#N 1128705404 QXLHYEQKIMXXQW-WMLDXEAASA-N 404.467 1.241 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H]2CC[C@H]1C2 1135347434 FDLQBHNQHPMESC-YZVOILCLSA-N 418.475 1.758 30 10 HDEE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1137497638 PFGLEBYYQFQTFR-XOBRGWDASA-N 414.506 1.514 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)[nH]ccn12 1155113201 WMPDJCJANCZCET-ZDUSSCGKSA-N 404.471 1.326 30 10 HDEE N#C[C@@]12CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1156669440 CBGAJLMVRZCBIJ-PEYYIBSZSA-N 403.287 1.814 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 1162475389 UDKCJEYTWIOZLT-FZMZJTMJSA-N 403.298 1.435 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4nccnc4C#N)C3)[C@@H]2C1 1163978958 IFZHUKJAQQHEKQ-CFVMTHIKSA-N 400.439 1.367 30 10 HDEE COCCN(CC1CCN(C)CC1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1170686273 CXBGCTUIZXNAFZ-UHFFFAOYSA-N 422.551 1.227 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CON(C(=O)OC(C)(C)C)C3)CC2)o1 1179766611 LNQGDDKDVBWXES-AWEZNQCLSA-N 405.455 1.738 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1197642536 MINVIKKQAWMSAP-INIZCTEOSA-N 422.551 1.823 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H]3CCOC3)CC2)cc1 1198252193 UIDVVTVJOFVCOM-QGZVFWFLSA-N 408.524 1.432 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)CC1 1198386683 GWAWUNSVLBOMDD-KURKYZTESA-N 405.543 1.372 30 10 HDEE C#CCOCCNC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Br)cc2)C1 1224889365 UJKXNTSGGSXXDK-JKSUJKDBSA-N 409.280 1.997 30 10 HDEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2cccc(OCC#N)c2)C1=O 1257786222 ZKFXYBQWNTWIGI-HXUWFJFHSA-N 413.455 1.960 30 10 HDEE CN(C)C(=O)COc1ccccc1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1265539263 CNCGWDOZKAIWGX-UHFFFAOYSA-N 404.430 1.917 30 10 HDEE C#CCCCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1286334116 DILCBCBHCMOOBK-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1noc2c1CCCC2 1286460482 DMQOOXZZEHMQOR-UHFFFAOYSA-N 400.483 1.417 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286719307 FHJXQUCMJRLDAI-MRXNPFEDSA-N 405.524 2.000 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1286764449 PMTUNLAZCKLEEI-KUDFPVQQSA-N 415.494 1.597 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286790418 RNBZDVBIVJTFLC-INIZCTEOSA-N 414.535 1.434 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1286803581 FAJRRSPXEBIRKC-UDJKBAMHSA-N 423.477 1.581 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)[C@H](C)C1 1286875142 AUNNDAGWNVACEP-QRQCRPRQSA-N 421.505 1.352 30 10 HDEE CC(=O)NCCCn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286955395 NOAKSJZJNXXNHB-NRFANRHFSA-N 418.542 1.975 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H](C)C1 1289309975 AAZDJEUWIZGVBS-UYTYNIKBSA-N 402.539 1.816 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N(C)C 1291622459 ZLCFRTWUPGVMQN-MRXNPFEDSA-N 410.526 1.863 30 10 HDEE CCc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292950192 OHTHFKQIROPLTA-MNGLYYNBSA-N 400.483 1.230 30 10 HDEE CCOCc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297095783 HQHOQPZMHUACQF-ZGDSRJCYSA-N 402.499 1.823 30 10 HDEE Cc1ccc(C(=O)NC2(C(=O)N(C)C)CCCCC2)cc1S(=O)(=O)NCC#N 1298115018 KKYUCMAKSZUQMX-UHFFFAOYSA-N 406.508 1.318 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1298208062 GZZQHWIMKZSKLP-UHFFFAOYSA-N 418.523 1.212 30 10 HDEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1298507909 GNPQUHQYSRRYLT-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1298581090 COFOPYZXVHSFSN-WIEQDCTASA-N 408.454 1.385 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1300271093 GOMGSWWTSAMYQS-QWHCGFSZSA-N 411.478 1.867 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 1300664387 CRHIZVCXUBZISV-IBGZPJMESA-N 418.586 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2occc2C)CC1 1300723615 XUFBVOAITFZLQE-INIZCTEOSA-N 410.478 1.145 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1300760808 GWPRFWPPDZVNFU-SFHVURJKSA-N 421.611 1.943 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300767088 QNKPAWSEYJGXQN-MRXNPFEDSA-N 416.576 1.811 30 10 HDEE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1300779846 FNTMUKLEFIOEMU-YJYMSZOUSA-N 404.492 1.328 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1300806386 UCMWGEUXEBLVCL-OXJNMPFZSA-N 415.519 1.624 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)NCCC)CC1 1301491796 ZECYLMHDOHTMCI-UHFFFAOYSA-N 411.510 1.385 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(CO)CC1 1301514285 IPBCOEOAGVUMRV-UHFFFAOYSA-N 403.458 1.507 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@@H]2OC)C1 1301553718 RJPMUWPMDWOQOA-NXHRZFHOSA-N 402.499 1.511 30 10 HDEE Cc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)c2ccccc2n1 1304195780 GTBSHIBSOHPFTG-OAHLLOKOSA-N 405.462 1.619 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)N1CCOCC1 1306198709 PREMIXUPAIYRLB-KRWDZBQOSA-N 410.526 1.154 30 10 HDEE C[C@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1307272567 RJFOCPMLLWFPPL-JOCHJYFZSA-N 405.410 1.952 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 1307697599 HJIXFIHCDWVPPB-IBGZPJMESA-N 411.414 1.534 30 10 HDEE Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 1309541871 DRLVZQXGJXIREA-UHFFFAOYSA-N 400.386 1.216 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1316157341 QPLRIHUWNNJUQK-HRAATJIYSA-N 415.494 1.662 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1316176364 HEJFMKASAUKNIL-OXJNMPFZSA-N 424.521 1.555 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1316351165 JMSVNIQXVFIVPW-RHSMWYFYSA-N 415.491 1.023 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1 1357275265 LWQYWZXNMWJGJO-GOSISDBHSA-N 406.914 1.894 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1358881565 IQVJGBFIUSACFB-OAHLLOKOSA-N 400.479 1.962 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1358929574 CSSVOKQCZUTEDL-SJORKVTESA-N 407.540 1.261 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1358948838 MQRWNSYJHLHNMJ-UHFFFAOYSA-N 405.510 1.498 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCOCC1 1358984072 HEKHTYVAHKKVBZ-SFHVURJKSA-N 414.554 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)F 1358987799 SPKSGTFFBITYGZ-UHFFFAOYSA-N 416.388 1.698 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1359126413 ORPPPNQBLMQHTH-KRWDZBQOSA-N 417.514 1.111 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359298106 NGCPENFAPXKTSS-QGZVFWFLSA-N 413.526 1.124 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1360784505 GEJAPRTZYNHWSA-YJBOKZPZSA-N 407.540 1.879 30 10 HDEE N#CC1(CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCOCC1 1436238937 KOWKTGRWWKPURJ-ZBFHGGJFSA-N 417.428 1.771 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1437438222 AREHXEVYAIYXAT-UHFFFAOYSA-N 403.391 1.124 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1 1441453692 WXWRCAGLXKPHFQ-CHWSQXEVSA-N 424.951 1.054 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1443426491 JMKVOMIZFISLRH-QGZVFWFLSA-N 415.387 1.908 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1452250934 SEXBFFATMLKFAC-INIZCTEOSA-N 415.309 1.880 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C)COc3ccccc3O2)cc1 1454018381 RGPPXZCBPAMAKS-FQEVSTJZSA-N 400.456 1.558 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCN(c3nc(C)cc(O)n3)C2)CN(C(=O)OC(C)(C)C)C1 1455751425 FYPJGLKNYQKLNS-OAHLLOKOSA-N 417.510 1.999 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(c3ncccn3)CCOCC2)ccc1F 1462981896 ZGELQZLJPSPLPD-UHFFFAOYSA-N 420.466 1.516 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(I)cc2)CC1 1464357397 VXCVBONRGDJPDW-UHFFFAOYSA-N 405.257 1.830 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 1464850522 VSRRKWSHVGTEDT-UHFFFAOYSA-N 406.530 1.920 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3C[C@H]4CC[C@H]3C4)cc2)CC1 1466171478 PWTCVRJMBNBJAZ-LPHOPBHVSA-N 417.535 1.292 30 10 HDEE COC(=O)[C@@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCOC1 1472399462 ILVPLOSMJLISCS-SJORKVTESA-N 408.495 1.579 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1494512964 KBWCGJKNIZHVBW-FFVXTIDOSA-N 418.523 1.598 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)c2ccccc2)CCO1 1505323278 FCUBZWPJFVXPDR-DOTOQJQBSA-N 417.491 1.332 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1507627053 CFRPNZREVYLGBZ-GOSISDBHSA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507634877 QQXBDSZJQPGTRY-OAHLLOKOSA-N 407.565 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)CC1 1507721634 KPUCAIFAGRYNSM-HNNXBMFYSA-N 422.580 1.062 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccn(C)n2)CC1 1507736768 RQKSVWCYWQTHMV-UHFFFAOYSA-N 418.505 1.282 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507832260 WWECKDNWLVENGW-CABCVRRESA-N 407.540 1.251 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1507998440 AKUITTKAYLBCGL-RBUKOAKNSA-N 422.489 1.709 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1508095339 NQOCXCXTZOEWCE-UHFFFAOYSA-N 414.535 1.557 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1513372619 IMAXIOPYEIZQNS-SFTDATJTSA-N 415.542 1.805 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)C#N)CC1 1515897592 IANJKPKCVCGESO-OALUTQOASA-N 410.570 1.886 30 10 HDEE CCNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1516009828 YAGKLDPHYQKJME-UHFFFAOYSA-N 420.477 1.628 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1518520120 PVJWOWDAEFETIO-IRXDYDNUSA-N 411.462 1.940 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1531928331 QHLZWAYKAYIYHE-QZTJIDSGSA-N 409.849 1.206 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCc3cc(C(=O)OC)ccc32)C1=O 1534119244 HCOMPUGDOQXXBK-OAHLLOKOSA-N 400.387 1.371 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)COc2ccccc2C#N)C1=O 1535800040 LZMLYTTXGFPYAV-MRXNPFEDSA-N 401.463 1.776 30 10 HDEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1Cc2ccccc2C1=O 1538309901 KYPVIVUUICPYJQ-CDXJDZJCSA-N 415.515 1.454 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1539005797 VKYBTBADLUNSHN-LPHOPBHVSA-N 410.522 1.676 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1539079559 VRQVBNPANQXGCP-LJQANCHMSA-N 414.554 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1539323720 JWZYYGSJCOMGOF-LEWJYISDSA-N 413.566 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1nnc(C)s1 1539420871 LCQUEHJLWDSPBZ-UHFFFAOYSA-N 414.539 1.628 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@@H](C)OC)CC1 1539434150 AMNMMCPZUQWRBL-CQSZACIVSA-N 421.343 1.836 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1539870932 DEEFSMHZKYGMJF-UHFFFAOYSA-N 409.556 1.644 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539915491 BEPUZIMWYKGVJW-DLBZAZTESA-N 423.583 1.887 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1540041611 BKMRIBPFHMYMMU-RYRKJORJSA-N 407.515 1.262 30 10 HDEE CC1(C)CO[C@H](CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1540648105 WICSLECVPGFZJA-QGZVFWFLSA-N 405.520 1.986 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@H]2CCCO2)nnc1[C@@]1(OCC)CCOC1 1540876531 UVROJJFJZYTKHK-CBGDNZLLSA-N 419.526 1.380 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1542234795 BFMQSDKKODUYBC-UHFFFAOYSA-N 419.532 1.154 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1543376681 CQKAIDCERAVHBD-IBGZPJMESA-N 412.515 1.739 30 10 HDEE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1544488730 LSGDZYZHXBBLNX-RYUDHWBXSA-N 405.296 1.869 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1546586527 RNGYDHONEOEDDZ-QGZVFWFLSA-N 408.466 1.368 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1547312226 CUMUWQPATATOBQ-CQSZACIVSA-N 418.523 1.423 30 10 HDEE CCN(CC)CC[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1556402541 UIBHHHRHJWZHJK-NYXBAERPSA-N 422.570 1.982 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OCC 1556642577 PSMLVJCVXUKKCS-ZHRRBRCNSA-N 413.474 2.000 30 10 HDEE Cn1cc(C[C@@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1557093194 HKSUZWYAAXSQQZ-NHUHVJRWSA-N 417.510 1.227 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1557543245 ITGZIXYQLVTLMQ-SIKLNZKXSA-N 401.507 1.694 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806467 QLNSXIJRJCDOBE-GJZGRUSLSA-N 417.466 1.287 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] 1559068390 ZZIZVSQFHOAUFL-GASCZTMLSA-N 423.495 1.251 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 1562201055 KYKQBONLOIDTHD-UHFFFAOYSA-N 411.503 1.287 30 10 HDEE Cc1ccc2[nH]c3c(c2c1)C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)CC3 1564436630 HZXNUSFRNHLWPQ-AWEZNQCLSA-N 406.446 1.467 30 10 HDEE C=C(C)CCC(=O)N1CCC[C@H](C(=O)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1580007489 CZLPPJUIQHEEFS-UQZKUAJDSA-N 403.523 1.237 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 1585593346 DINPMOMBCJYXHC-CYBMUJFWSA-N 405.407 1.596 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1587754705 JNUBKPMGLYYPNZ-OAHLLOKOSA-N 419.489 1.307 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587798934 WLRXONFTWNBLLB-QGZVFWFLSA-N 409.556 1.699 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588024660 ISNZTZJULWRWAU-ZACQAIPSSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588045981 VDEUZFHBZQFHRJ-ZBFHGGJFSA-N 405.549 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1cccc(CS(C)(=O)=O)c1 1588167075 VVQCEUWICMOHAI-UHFFFAOYSA-N 400.504 1.480 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1588646846 NQBVLLNAQUTXLN-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2csc(C)n2)CC1 1588733093 MVYILKMNMWZBFC-UHFFFAOYSA-N 413.551 1.277 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)F 1589163156 IQGQNHRTRGIPOS-MOPGFXCFSA-N 411.453 1.304 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593872198 DOPABOVRHHJRBT-UHFFFAOYSA-N 410.931 1.873 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2cc(I)ccc2N)nc1 1594797214 HOEYCKOEKZRROU-UHFFFAOYSA-N 407.215 1.982 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1594942596 AOCIKOZWCRPVMI-UHFFFAOYSA-N 409.494 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](OC)C1 1595506783 MMMCIZDUTMYGDC-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1595884808 UEXHOQDTYYRXQD-HOTGVXAUSA-N 413.613 1.630 30 10 HDEE Cc1nc(O)nc(S)c1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1596358545 FFWFDRNWPNAGDM-FYJGNVAPSA-N 421.504 1.844 30 10 HDEE CC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](c1ccc(C)cc1)n1cncn1 1596452084 DUHHPIOBBMJZPS-PKOBYXMFSA-N 421.461 1.295 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)ccc21 1611534556 WHRZQGXLTQOFLA-UHFFFAOYSA-N 411.458 1.190 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1615220679 GVBKYAKVDYWCSE-MRXNPFEDSA-N 401.492 1.355 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1615755243 YREXTGYQKHSOTE-FTFAEBDGSA-N 415.542 1.847 30 10 HDEE C=C(C)C(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1616833895 WIWAPXWDPHCHRH-UHFFFAOYSA-N 409.552 1.866 30 10 HDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619836705 LNXCJNXSZRMZOR-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cn1 1623494356 HGSPDSBTJGNQPW-QGZVFWFLSA-N 417.466 1.615 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1623876550 VPLQUEASJNULKR-HNNXBMFYSA-N 409.508 1.480 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)CC2)cc1 1625713709 QUBSSAMNLHEGGW-OTWHNJEPSA-N 415.515 1.666 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2=CS(=O)(=O)CCC2)c1 1625970128 RGWMOFXZZOXVBK-MNDPQUGUSA-N 411.505 1.530 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCO1 1626973480 ORMFILIOLQNJDI-QGZVFWFLSA-N 404.444 1.616 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1635810758 USTUJFBHJDJSMU-DYVFJYSZSA-N 408.501 1.104 30 10 HDEE CSCC[C@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1635906125 YAEBYDAHGBZARG-IXDOHACOSA-N 406.552 1.341 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(C)(F)F)CC1 1636177436 LVLSXTICMQHIPJ-CYBMUJFWSA-N 400.451 1.024 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1 1636869601 BTGMZLZPOJLDOI-POZUXBRTSA-N 414.487 1.657 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(-n3[nH]c(CC(=O)OC)cc3=O)cc2)cc1 1636915966 NULQUMVSRKBSPR-UHFFFAOYSA-N 419.437 1.823 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](c2ccccc2)c2nc[nH]n2)cc1 1637576853 VRPSAGIVAXRTLD-SFHVURJKSA-N 409.471 1.578 30 10 HDEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1638460166 HYULYSXRUIXSPM-VNHYZAJKSA-N 419.482 1.218 30 10 HDEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1638678727 QPHWUGZSKHOWNJ-UHFFFAOYSA-N 405.564 1.866 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccnc(F)c3)CC2)s1 1640940990 CUCMNNALCMGKSK-UHFFFAOYSA-N 424.523 1.638 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)COC1 1641702534 PULHZDOBTHUILW-OAHLLOKOSA-N 402.451 1.617 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1641976700 QTNKXXYIRZYUMU-LJQANCHMSA-N 415.534 1.998 30 10 HDEE COC(=O)[C@H]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642226225 CXBIYQGLISXXGN-HKUYNNGSSA-N 405.520 1.844 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)C2)c1 1642539858 LMBHUNTUJUAWBP-UHFFFAOYSA-N 420.441 1.828 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1 1642950449 FASGCMZLEYVTRL-SECBINFHSA-N 402.270 1.544 30 10 HDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CC[C@@](O)(CC#N)C2)c1O 1643612747 PNQMYKYRZYHZKR-QHCPKHFHSA-N 419.437 1.988 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)c1=O 1644087882 WOVODGPIRHPDGK-UHFFFAOYSA-N 406.320 1.596 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)c1 1646068326 ONCRHSYPFHWPGJ-UHFFFAOYSA-N 423.494 1.903 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(Br)c(C#N)c1)c1cc[nH]n1 1647798154 YOQSZTIQNVENPW-UHFFFAOYSA-N 420.223 1.966 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)C2)c(=O)nc1O 1648790863 XKWGEKKXLDWYCO-AWEZNQCLSA-N 422.445 1.148 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(S(N)(=O)=O)c(Cl)c1 1651880020 CEMILGSFLCVQNJ-GFCCVEGCSA-N 406.899 1.360 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1652016853 FVDGRUPMALURNN-FOIQADDNSA-N 414.499 1.653 30 10 HDEE CN(CCC#N)C(=O)CCN1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1654550176 RGRPLFSBQUTWJN-SJORKVTESA-N 403.527 1.929 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCS(=O)(=O)C[C@@H]1C1CC1 1654918201 DXIBIJKPIQWIAD-GOSISDBHSA-N 413.503 1.582 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1 1655187208 OWCALQPDXMWPCS-DOMZBBRYSA-N 410.396 1.705 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 1655802628 QXOUMSPWJQZXOE-LJQANCHMSA-N 423.469 1.961 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NCc2ccc(S(N)(=O)=O)s2)cc1 1658570041 PNMGNFGWBPCNNI-UHFFFAOYSA-N 401.535 1.814 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1661617671 YONGYVFUTOIERW-HOTGVXAUSA-N 401.463 1.872 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 1661786364 SKAFIPIPZYIASW-UHFFFAOYSA-N 411.530 1.128 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1665498264 YTPKDTBXSHRSHN-CQSZACIVSA-N 424.928 1.290 30 10 HDEE C=CCSCCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1668520929 OXZZMXKEVDXVAP-IRXDYDNUSA-N 414.549 1.861 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 1686055797 OCJGUCVGEOGNEG-KBPBESRZSA-N 407.471 1.420 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)NCC(=O)NCC#N)C1 1686402522 AHHSBIQJIACPPV-IAGOWNOFSA-N 415.494 1.719 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1689827616 HOXFBJAZVKPOON-GJZGRUSLSA-N 405.524 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(CC(C)C)CCO1 1689861259 RGLVUEUQKNZMOY-ZWKOTPCHSA-N 402.543 1.215 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1689988136 JVUUQAUDOXUWPW-HYVNUMGLSA-N 402.524 1.666 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C(C)C 1690013724 ZVXLCMCPGOYSDT-QHCPKHFHSA-N 418.501 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1690047182 MBHJAKZQMOUBEC-IBGZPJMESA-N 417.579 1.519 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@]1(N(C)C)CCSC1 1690104695 FTIIEOODUHERPX-OAQYLSRUSA-N 414.579 1.787 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1690256805 WSSJBXDIMXISTI-JKSUJKDBSA-N 421.571 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690664116 KMWLGJSNMRNILO-YWZLYKJASA-N 401.467 1.533 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)C1 1690687764 IWVPRTCMBGVBBA-UZLBHIALSA-N 407.515 1.188 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690722541 NACRKENCPNHTOQ-WBVHZDCISA-N 407.540 1.746 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(C(C)C)CC1 1690726502 CDWPWXZLHHUJDC-UHFFFAOYSA-N 418.567 1.395 30 10 HDEE CC(=O)N1CCN(CCn2c([C@@H]3CCOC3)nnc2N(CCC#N)CC2CC2)CC1 1690869290 CEQACUUTJMINEH-LJQANCHMSA-N 415.542 1.076 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1691866266 RSPFCAYRLWAJLV-KRWDZBQOSA-N 422.537 1.909 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1696762608 AKDAKOUYDVYLNF-AWEZNQCLSA-N 404.421 1.671 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1705477350 MRNOVXGDCGYKQL-HRCADAONSA-N 410.588 1.467 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1705542830 PCUZDQLZOZYLKL-CQSZACIVSA-N 411.441 1.780 30 10 HDEE C#CCN(c1nnc(CCOc2ccccc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1705568487 OKRXJJGAOLUBFJ-KRWDZBQOSA-N 400.504 1.861 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F 1705573832 OTNJDONOFAQJMI-HNNXBMFYSA-N 403.483 1.457 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@]1(N2CCOCC2)CCSC1 1705600171 OHLJBMPDVVLIOQ-JOCHJYFZSA-N 413.591 1.901 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705906238 XSGDTHZMBLQSQV-KGLIPLIRSA-N 403.464 1.347 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC[C@@H](C)C1 1707911260 FPGDFLDFMOICIL-IAGOWNOFSA-N 409.542 1.695 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1OC 1708756428 CUSJSVOFGIJAED-USXIJHARSA-N 404.515 1.740 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CCOC1 1711622106 AJPGKAFSJLISPH-QFIPXVFZSA-N 424.505 1.714 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC(C)CC1 1712647667 GLXDDYMNJIWKIX-OTWHNJEPSA-N 418.542 1.463 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1722333543 XBVMZSTYMLYGJQ-WOJBJXKFSA-N 422.533 1.544 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722366669 IZXSOVWVNUBNIR-CHAGWJKLSA-N 424.592 1.474 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@](C)(O)c1ccccc1 1722398179 RQAHMFOZPHSVFH-AUSIDOKSSA-N 405.502 1.990 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](Cc2ccccc2)OC)CC1 1722437862 KPKOQJZPXQWDMF-OAQYLSRUSA-N 419.533 1.692 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nccs2)CC1 1722448048 QPQQHIPCUFMDEC-INIZCTEOSA-N 414.535 1.643 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722699548 JSODHDWKTJHWQL-UHFFFAOYSA-N 403.531 1.117 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1729414188 CFHBGYXNNFBVCI-SFHVURJKSA-N 417.473 1.727 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1729828248 CKINJJKZNUMDHG-MRXNPFEDSA-N 406.494 1.912 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1730484018 HQZNCFSESKZUQS-KRWDZBQOSA-N 412.469 1.908 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(N2CCOCC2)CC1 1730932835 LBZHVWRWHMYMJZ-SQNIBIBYSA-N 418.542 1.463 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1740541593 CNFYDEAIRTVTSL-ZDUSSCGKSA-N 411.915 1.513 30 10 HDEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740581151 QKOBGXCVVSWTFF-SFHVURJKSA-N 402.543 1.186 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1740621661 YIXGKYLTRGOKCJ-KRWDZBQOSA-N 415.519 1.050 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CC1 1740656211 IOGUNNLMKVZABY-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1740674240 ZCHUJGVUEGJXMP-UHFFFAOYSA-N 411.506 1.792 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(SC)CCN(C)CC2)CC1 1740695234 JWDZQNLCXRMMBG-UHFFFAOYSA-N 413.595 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CCC)C1 1740992454 QLXPYGDNZMFQOD-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1741131695 HCJCNVFMNBVMRW-MJGOQNOKSA-N 403.575 1.651 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2nncn2C)CCOC1 1741725213 XKYXAGWDRIZEMV-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1743308425 BKLNWBCEBXOFSS-HLAUDOPJSA-N 414.510 1.761 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1748174776 XHOGJFGEBDRUII-PGRDOPGGSA-N 424.505 1.585 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1748897278 ZXRZGJGRMPBZEF-INIZCTEOSA-N 417.560 1.531 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCC(=O)NC)CC1 1748978992 VKXNUIJMYDRAGU-IBGZPJMESA-N 424.549 1.926 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749028667 GAOUUBMPKLRHEN-UHFFFAOYSA-N 412.563 1.522 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1749031923 NRECZHDWGICTNU-HNNXBMFYSA-N 409.581 1.909 30 10 HDEE C=CCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749646016 JRDDRDCPUQRMIU-HXUWFJFHSA-N 402.474 1.977 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cs1 1751763789 PGNDXDMIOIVWES-GXTWGEPZSA-N 408.553 1.664 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190918 WQOAZJHRBWUMSR-DLBZAZTESA-N 406.552 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccn(C)n1 1760214330 KCAHCDSDNUZGNL-UHFFFAOYSA-N 402.458 1.961 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1 1760243243 YRIZDMAGHIWGQB-CQSZACIVSA-N 409.487 1.162 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2CCS(=O)(=O)CC2)CC1 1760257987 DISMZLHGGNCYAA-UHFFFAOYSA-N 413.547 1.525 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760346060 GIDJCOVHYMETEF-INIZCTEOSA-N 407.540 1.205 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1760472922 HQVXCHOWYHBDTL-QZTJIDSGSA-N 402.543 1.741 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1760505586 ZDZKRDMXCVSBSR-OAHLLOKOSA-N 423.539 1.726 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1CCOC1 1761235692 IFRZIYBLBZVVGF-RDJZCZTQSA-N 401.515 1.019 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1765446499 FARXFNXFYZHEMT-OWCLPIDISA-N 411.576 1.359 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1768437773 BHAVARGJJVAJJP-QGZVFWFLSA-N 409.494 1.387 30 10 HDEE CO[C@H](CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1769611160 QAIKDIBEWDMPQW-HUUCEWRRSA-N 410.400 1.960 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCCCC1 1769836675 CSVLYRQPZGLHPG-UHFFFAOYSA-N 403.531 1.366 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1770580046 GTPMBWSYJUZDCY-CFAJVAMVSA-N 414.507 1.145 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770744311 IPIIOJURZOXGSG-LSDHHAIUSA-N 401.471 1.248 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C1 1771330045 FOILPBCUKIDYOZ-AWEZNQCLSA-N 408.384 1.720 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC#CCN2CCCCC2)CC1 1850533764 YNPOUONCQFCART-UHFFFAOYSA-N 422.551 1.298 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CO2)nc1 1852098155 ZGSCVLDZUYSOER-MRXNPFEDSA-N 422.397 1.118 30 10 HDEE N#CCCn1nc2c(c1NC(=O)[C@H]1CC(=O)CN1C(=O)c1ccc(F)cc1)CCC2 1852111709 BCVXRNRPCGFMDA-GOSISDBHSA-N 409.421 1.847 30 10 HDEE N#CCc1ccc(C(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc1 1852461565 JLRZDCGSYYXBSY-MJGOQNOKSA-N 404.426 1.316 30 10 HDEE C#CCCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)CC1 1852689126 XJLJHHNMYNRFGN-UHFFFAOYSA-N 412.515 1.444 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)Nc1c(F)cc(C#N)c(F)c1Br 1853066188 JXSQTYXZSHCIRI-VIFPVBQESA-N 422.207 1.140 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cc2ccc(C(N)=O)cc2)cc1 1853311395 FQVKXVGDCBEKBX-NRFANRHFSA-N 423.469 1.523 30 10 HDEE CO[C@@H](C)C(=NOCCCN1CCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853406496 IOUZQUBNXPCJQX-AWEZNQCLSA-N 424.523 1.310 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1853829370 VFAFISWKTDHRKO-RBUKOAKNSA-N 415.490 1.554 30 10 HDEE COc1coc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1=O 1853892326 XRPLRCWHDMXYSV-HNNXBMFYSA-N 409.442 1.712 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccnc(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854059994 WXJSSZAJRJFKNB-DLBZAZTESA-N 400.479 1.330 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2cccc(C#N)c2)C1=O 1854097075 GMBRTBXSWQBXSQ-RBUKOAKNSA-N 417.531 1.977 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccnc(OCC)c2)C1=O 1854114118 SEVFKAZKCBDVTA-ROUUACIJSA-N 414.506 1.720 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3Cc4ccccc4C(=O)O3)C(=O)C2)c(F)c1 1854323016 CMAAJIFSTXDXJN-IBGZPJMESA-N 407.401 1.650 30 10 HDEE CCOCC(=O)N1CCC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854424455 FWZZZFVLUMYBGM-GOSISDBHSA-N 400.479 1.598 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)C(=O)C12CCCC2 1854428610 DDRRVSCKRIUTOV-UHFFFAOYSA-N 409.439 1.041 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)c1 1854450079 WRWJTRLFPPRFEL-QGZVFWFLSA-N 415.515 1.590 30 10 HDEE COc1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)nn1 1854450869 PUXTVOJYBIFMDL-UHFFFAOYSA-N 409.446 1.499 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCCN(C(=O)[C@H]3COCCO3)C2=O)CC1 1854824798 NJTUDMSVNUJIIV-RBUKOAKNSA-N 412.490 1.456 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCN(C)CC34CCC4)C2=O)CC1=O 1854825594 HGZYNLVMZBRWQG-ROUUACIJSA-N 402.539 1.099 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1855647056 LNFBKINXURMBRJ-SFHVURJKSA-N 403.504 1.826 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN4CC[C@H]3C4)ccc21 1856225388 URCKLPHOZNNJTM-INIZCTEOSA-N 403.504 1.537 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cccc(OC(C)C)n2)C1=O)[C@@H]1CCN(C)C1=O 1856757708 XWPHURFWPKJMSQ-ZWKOTPCHSA-N 414.506 1.719 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cncn1C 1857002101 HHFVYSSCBVIXAJ-HNNXBMFYSA-N 414.487 1.879 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cn2ccnc2C2CC2)C1)[C@H]1CCN(C)C1=O 1857053548 QTIGGZPREMHTGL-WMZOPIPTSA-N 413.522 1.244 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)CC1 1857127122 GEBLZRHGVWSFTJ-HKUYNNGSSA-N 416.522 1.015 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@H](F)CC2CCC2)C1=O 1857152003 RJFYUDAAHQGDIH-WBVHZDCISA-N 400.458 1.124 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)Cn3nnc4ccccc43)C1)CC2 1857287465 PVUPUSUMZSHMCJ-IRXDYDNUSA-N 406.490 1.822 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@H](C)S(=O)(=O)CC3)CCC2=O)cc1C#N 1857365383 CIUSJOGAUISCJI-DLBZAZTESA-N 417.531 1.755 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1857394437 VYZJXMKWJHNUJI-IIBYNOLFSA-N 400.454 1.439 30 10 HDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCC(N(C)C)CC1 1870523872 HCPQDRCZQWTGGY-KRWDZBQOSA-N 404.555 1.854 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)CC1=O 1872917575 FHXFIZZKFCOZIS-SFHVURJKSA-N 401.482 1.758 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c(C)nn(C)c3C)CC2)CC1 1889240640 NBBHZKKWXQGHAR-UHFFFAOYSA-N 401.555 1.299 30 10 HDEE C#CC(CO)(CO)NC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1890661717 QNCCHNKTVFLQFI-UHFFFAOYSA-N 420.465 1.531 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3CN(C)C[C@H]3C2)[C@@H]1c1ccc(C#N)cc1 1891940973 JNSMZGITGJLIIM-QIJZPMMNSA-N 412.559 1.972 30 10 HDEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)CNS(C)(=O)=O 2186596999 INCZURVNVDAJOS-NSHDSACASA-N 402.347 1.116 30 10 HDEE CCC(C#N)(CC)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197741012 WYCQGKIWGMACTG-ZDUSSCGKSA-N 401.529 1.998 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)NCC#CCO 2221675750 FNJLATBZWOMHEG-HNNXBMFYSA-N 411.296 1.997 30 10 HDEE Ic1cn(CCN=C2N[C@@H](C[C@@H]3CCOC3)CS2)cn1 2237131481 ZAZGQMBFSAOHNA-QWRGUYRKSA-N 406.293 1.975 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2237809105 XNRYJPXCXWKDAT-RKVPGOIHSA-N 401.529 1.728 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446345 HCZQXVVFQKUADI-HDMKZQKVSA-N 403.545 1.710 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2242812942 NXBARCJWOANGLA-BFHYXJOUSA-N 412.292 1.137 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243431478 JFTLLFCRLKGLLG-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CNC1 2247816292 BEHBAAAZZRGKLQ-UHFFFAOYSA-N 410.327 1.816 30 10 HDEE Cn1nc(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247922705 MDBZMGVVDRFKLV-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE Cn1cc(C(=O)NCc2nccn2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255823886 ZJCJSQPTKVIOCC-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE O=C(O)c1cc(S(=O)(=O)NCCC#CBr)c(Br)o1 2258943996 NCRPWNLPLJOEPT-UHFFFAOYSA-N 401.032 1.765 30 10 HDEE CN[C@H]1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267356664 NQLBMUAFYRAULB-JTQLQIEISA-N 406.766 1.683 30 10 HDEE CC1(C)OB(c2cnc(NS(=O)(=O)C3CC4(C3)OCCO4)c(F)c2)OC1(C)C 2277960547 JDNFZRNTNYDVCC-UHFFFAOYSA-N 414.264 1.167 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CC(C#N)C2)C[C@H]1C(F)(F)F 2279242738 MLTXMFZCMMNHDM-NEPJUHHUSA-N 412.434 1.607 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N 2282317172 NIKPZHRFASBKSF-MNOVXSKESA-N 422.765 1.047 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCNC1 2282330390 YYCJODSFOGCVPM-STQMWFEESA-N 400.375 1.714 30 10 HDEE CN(C[C@H]1OCC[C@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333137 KWZBCOTXMHWFCO-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE C[C@@H]1CC[C@@](CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335014 JKPNHYSBURMUFS-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H]2CCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282829367 DGMXEXOIJWAWDR-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](CO)[C@@H](C)C1 2282830914 BSRCTAJIKVMXTN-AAEUAGOBSA-N 401.359 1.605 30 10 HDEE COc1n[nH]c(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282838425 OKAUUZGZMIKCLN-UHFFFAOYSA-N 400.291 1.283 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CC(F)(F)CN2)OC1(C)C 2282855770 JBNKINKTXCGRMI-JTQLQIEISA-N 408.301 1.323 30 10 HDEE CCN(CCC(=O)OC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858943 FXOAGRZEILKOGY-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC[C@](C)(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284394946 FTIWWTDUYUHRDY-INIZCTEOSA-N 403.331 1.720 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)O)s2)OC1(C)C 2284397826 QSAGJOJKCWMGNZ-NSHDSACASA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(C)CCC[C@@H]2O)OC1(C)C 2286914849 WBKSZWWDVSIPQJ-YOEHRIQHSA-N 401.359 1.877 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2F)CC1=O 2329020394 UEHBIMILKGWPBI-CYBMUJFWSA-N 404.471 1.601 30 10 HDEE COCC[C@@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365192447 CIDHWUPVJKAUOP-KXBFYZLASA-N 403.541 1.838 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2365202851 QAJCWBSBAQKWAW-GJZGRUSLSA-N 402.557 1.816 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367789517 ROSVWEJQQVFPRR-UONOGXRCSA-N 403.497 1.730 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)s/c(=C/c3ccc(NC(C)=O)cc3)c2=O)cc1 2646906 LLOBMWIZSRVONR-RGVLZGJSSA-N 416.462 1.893 30 10 HDEE COc1ccc(-c2ccc(=O)n(CCNC(=O)COc3ccccc3C#N)n2)cc1 13604295 BCLKCOKPNCFLQO-UHFFFAOYSA-N 404.426 1.986 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 30942848 HCQGATSALVMEKY-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE C=CCn1c(=O)c(N2CCN(C(=O)COc3ccccc3)CC2)nc2cccnc21 35537492 YZUPPVWLKRENNG-UHFFFAOYSA-N 405.458 1.705 30 10 HDEE C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCOC)C2=O 35965330 WRTDXQLEHNQKDM-SFHVURJKSA-N 418.881 1.451 30 10 HDEE CCOC(=O)CC(=O)C(CC(=O)OCC)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 254799226 CYFGXJOITYQGDL-UHFFFAOYSA-N 410.339 1.746 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CCO1 409496080 RZXIKFLIDACUOH-HOTGVXAUSA-N 402.480 1.120 30 10 HDEE C=CCNc1nnc(SCC(=O)Nc2cc(S(C)(=O)=O)ccc2F)s1 440778985 MIXRFIXHXSZVDJ-UHFFFAOYSA-N 402.498 2.409 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 466104367 GIOSTSDRCZPQAV-UHFFFAOYSA-N 421.501 1.581 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)N[C@H]3CCCN(CCO)C3=O)ccc21 470532476 OUGBKCXBKMINTJ-KRWDZBQOSA-N 413.478 1.374 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(OC)cc1OC 472618483 XMIBBAVMKXASNR-GOSISDBHSA-N 404.444 1.909 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNc3cnc(C#N)cn3)CC2)cc1OC 475429542 PQBKOPMMVJWVSH-UHFFFAOYSA-N 417.491 1.878 30 10 HDEE C=CCc1ccc(OCC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c(OC)c1 477828273 QTUVGOBVOQRTOJ-UHFFFAOYSA-N 415.534 1.863 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c(F)c1 481029485 ZBTUQDKWAAJTJO-CYBMUJFWSA-N 400.378 1.835 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc(-c2nccn2C)nn1C 484956326 WIQPFSZVHRDOJU-UHFFFAOYSA-N 403.450 1.923 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)CC1 486476188 ZLMRFGJCDBCKMF-INIZCTEOSA-N 414.491 1.375 30 10 HDEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491762422 LOEVZKGTEPDMOO-UHFFFAOYSA-N 424.551 1.973 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)CCO1 499722164 YHROUOWBDVAGJJ-MFKMUULPSA-N 402.270 1.331 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(CC#N)c4)CC3)C2=O)n(C)n1 505812556 OHNFFZMBYJFANW-FQEVSTJZSA-N 420.517 1.748 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@]2(CCOC2)C1 508506520 FQPHBVXLMYSZIX-JOCHJYFZSA-N 422.489 1.857 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 527009993 KWBKLSZYKYYZOI-HOTGVXAUSA-N 404.467 1.640 30 10 HDEE Cn1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc2c(=O)n3ccccc3nc21 527127417 QNPGLOFRSWSOKP-UHFFFAOYSA-N 413.441 1.415 30 10 HDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 532922577 BLWPGPDJXFAGQG-QAPCUYQASA-N 406.914 1.932 30 10 HDEE C=CCOc1cccnc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 537151339 CODRKUILADWHSH-UHFFFAOYSA-N 419.459 1.625 30 10 HDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 549370033 JURFWSHLQVAEEU-WBVHZDCISA-N 402.495 1.737 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc(C#N)c2)CC3)CC1 549703003 VFUWPDNAJAKWJE-KRWDZBQOSA-N 406.490 1.135 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 555255959 QHVLYZVCHLWPDD-QGZVFWFLSA-N 422.493 1.912 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)c2nncs2)cc1 557163775 WPBIUMMNUJMLKX-UHFFFAOYSA-N 414.534 1.726 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2cccc(C#N)c2)CC1 587672604 DHDWEKRTSAOKGB-GOSISDBHSA-N 418.497 1.957 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)c(C#N)c1)CC2 609658541 ANFSFSMOTMUNIK-UHFFFAOYSA-N 409.464 1.699 30 10 HDEE CCCCN(C(=O)Cn1c(C)nnc1-c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 610035501 DLPDHZOGLPLVAH-SFHVURJKSA-N 415.519 1.941 30 10 HDEE CC(C)(C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 613761932 VIDHCYCESJLSGC-UHFFFAOYSA-N 403.442 1.677 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C[C@H]1CCN(S(C)(=O)=O)C1)NCCC 691252378 AXMTXLYFHOOFRT-IXDOHACOSA-N 401.573 1.943 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cccc(OC(F)(F)F)c1 731851110 HLJUMSCRGVRHLG-YPKPFQOOSA-N 405.354 1.390 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 732143413 LDQVYLSEMVTZJX-OAHLLOKOSA-N 407.492 1.337 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cn1 732561071 FINNZANINPSGRM-MRXNPFEDSA-N 412.515 1.177 30 10 HDEE CC(C)CNC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 741429665 GAMSLZNHPRJGFY-KRWDZBQOSA-N 406.508 1.582 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)NC(C)=O)cc1 750420199 YRFVEBYGPSSVAF-IBGZPJMESA-N 415.471 1.780 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 756217190 KQVMEBXCYZENJO-ZDUSSCGKSA-N 424.475 1.753 30 10 HDEE CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 760013039 FSGNBSWYSMSMDL-FOCLMDBBSA-N 410.427 1.267 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 761153450 BYRCPYFRMHSCKW-UHFFFAOYSA-N 416.453 1.918 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(-c2ccccc2)cn1 763789843 CVXUHNZUVXXNOX-UHFFFAOYSA-N 421.482 1.889 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1Br 765670240 WWODARXZTVOFHH-GFCCVEGCSA-N 406.323 1.569 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nnnn1C(C)(C)C 766180257 HIQNPSVJGAUXCF-OAQYLSRUSA-N 424.461 1.636 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2cccc(F)c2)CC1 766982411 BODFFVCRLROTID-HNENSFHCSA-N 401.442 1.179 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCc2nnnn2C)C1=O 771549868 WHCDBTXOIRMHRR-OAHLLOKOSA-N 413.507 1.009 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)cn1 772300050 MLYXFVYAWZNJLS-UHFFFAOYSA-N 418.478 1.936 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC23OCCO3)c1 773820955 FHTHZMUWOVLMBT-SEPJKUCUSA-N 407.492 1.981 30 10 HDEE C=C(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 777835062 OBMGFTWQWZLWPR-UHFFFAOYSA-N 403.298 1.776 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCCC1 779312908 IOIWUKRLFMNADK-LBPRGKRZSA-N 411.430 1.848 30 10 HDEE C#CCN(CCCCCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 782949038 AQUHWAFHDBFTKG-QGZVFWFLSA-N 402.516 1.965 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786374471 MYVMNDCMWSRRJR-AHCXZYCDSA-N 418.833 1.838 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 790119085 LFBWKUMQCSQXHV-MRXNPFEDSA-N 402.520 1.919 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1-c1ccccc1C#N 790361624 XHHNMVFHVXXGHC-UHFFFAOYSA-N 420.457 1.983 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)cc1 791252464 GUPVUOHDRWKJIL-UHFFFAOYSA-N 420.418 1.896 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCN(O)C3=O)CC2)c(C)c1 816696311 WFZMGLPDQRIXGO-MRXNPFEDSA-N 409.508 1.119 30 10 HDEE CCN1CCN(CC(=O)[C@@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C(=O)C1=O 920806843 REGLBKCEWPUNMR-LLVKDONJSA-N 418.425 1.955 30 10 HDEE Nn1c(NN=Cc2ccco2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 1084117756 LWHYICDWARJXIC-UHFFFAOYSA-N 415.435 1.533 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1nccn1C 1127723324 LFCZQDDMCANVAT-SFTDATJTSA-N 419.485 1.896 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(C(=O)OC)nc4C3)cc2C1=O 1134841880 FPKVKTIREVUBMM-UHFFFAOYSA-N 405.410 1.849 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136355418 VGQNDMGSBCFGOD-HUUCEWRRSA-N 400.541 1.965 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1140627277 RHNGOIHQLYHMSR-LSDHHAIUSA-N 416.927 1.854 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1141594006 QOSSWJQWYHTDAT-TZIWHRDSSA-N 412.511 1.611 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1144373538 BVBNYAHKAPUHRZ-GOSISDBHSA-N 405.520 1.218 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1148168901 COORWBPDNFJFBV-OXJNMPFZSA-N 403.483 1.299 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 1150390899 XFOSQFRDSSAPRN-GJZGRUSLSA-N 401.529 1.081 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1151443823 JXRUAQHGFKKNCF-PBHICJAKSA-N 403.479 1.954 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(C)(C)O)C1 1154096983 LEPYUSAMKGYFEM-HOCLYGCPSA-N 407.536 1.759 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1154401975 NNJYXHPQCVRTTO-OAHLLOKOSA-N 409.508 1.890 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)CS(=O)(=O)[C@H]2C1 1157017711 UGKZVFHJHPZARA-APIJFGDWSA-N 413.540 1.711 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CC(=O)OC)c2cccnc2)c1 1160197200 ANXXVOVJCZFRQT-HXUWFJFHSA-N 417.487 1.754 30 10 HDEE Cn1c(=O)[nH]c(NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c(C#N)c1=O 1163091851 FZKHNXYMBKEOQK-UHFFFAOYSA-N 421.379 1.681 30 10 HDEE C[C@]1(C(F)F)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1167507665 GNGIVYBSPKQMSL-QGZVFWFLSA-N 401.435 1.388 30 10 HDEE CCOC(Cn1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)nn1)OCC 1171843486 NSMFJENQZJSDKJ-UHFFFAOYSA-N 416.457 1.650 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1)[C@H]1CCS(=O)(=O)C1 1175211041 IRZXSFIDLKJUCA-WFXMLNOXSA-N 418.563 1.753 30 10 HDEE C#CCO[C@H](C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175426578 IJOUEFPZIWHOHX-QXSJWSMHSA-N 407.467 1.066 30 10 HDEE CC(C)(C)[C@H]1CNC(=O)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1176474656 PEOBYUUJMCYORK-DOTOQJQBSA-N 403.552 1.303 30 10 HDEE O=C(CNS(=O)(=O)c1c(F)cccc1F)NCCOC(F)(F)C(F)(F)F 1177046034 OQBIDAKPGPEIBB-UHFFFAOYSA-N 412.283 1.531 30 10 HDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1185769156 CFPGMSGOHORHQB-UHFFFAOYSA-N 421.523 1.272 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1211281393 LCZCYLOMCDRMBE-QGZVFWFLSA-N 409.508 1.399 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(OC)c(Br)cc2OC)CC1 1213162123 QIFTWUWMPOLNFK-UHFFFAOYSA-N 404.282 1.615 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H]2CCCN2S(C)(=O)=O)c(C#N)cn1CC 1219176163 CNBGUIVIHYLFQM-CYBMUJFWSA-N 411.484 1.102 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(SCC)cc2)CC1 1227109501 SHNSGSWSYPNNOB-HNNXBMFYSA-N 410.565 1.654 30 10 HDEE C#CCN(C)CCCNC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 1229291480 FHUVJARZGZGYFA-UHFFFAOYSA-N 408.502 1.970 30 10 HDEE C#CCCCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286334117 DILCBCBHCMOOBK-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)c(F)c1 1286371698 BBQQQXZNGNJISP-QGZVFWFLSA-N 407.453 1.980 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286389552 MIROWQHQNWILOY-INIZCTEOSA-N 402.524 1.496 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC1CC1 1286430486 HZSMQDFYTVNCNW-GOSISDBHSA-N 404.536 1.460 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286481255 AOINGUHSIIDRGC-LJQANCHMSA-N 424.524 1.678 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286693515 RQNKBOXTMZLWFI-JKSUJKDBSA-N 411.572 1.986 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1286791178 OVDNAQKJBZITBR-INIZCTEOSA-N 418.448 1.164 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(F)(F)CO2)C1 1286813011 VUJPKHYDRIWKEH-GJZGRUSLSA-N 411.453 1.606 30 10 HDEE CC(C)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288006482 VAQHRRJYEYQJPE-ZZEZOPTASA-N 413.526 1.602 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](CO)[C@@H]2CCOC2)C1 1297026164 OBSDHGHHKGAQMM-TZMCWYRMSA-N 408.296 1.518 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 1300019440 XHGMYGMVZZEEGJ-IBGZPJMESA-N 412.515 1.876 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)ccc1OC 1300553288 BUEBNPMEAUEQEX-UHFFFAOYSA-N 409.490 1.945 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCn2ccnc2C)CC1 1300691367 WGMIMUCIIFJYEI-UHFFFAOYSA-N 405.506 1.914 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1300699527 DXTXXPONVPMSDB-QZTJIDSGSA-N 414.579 1.902 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3COCCC3(OC)OC)ccc2c1=O 1301158008 XVJBSKLQJAVKLZ-HNNXBMFYSA-N 405.476 1.379 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301249713 XMGMCAXKBSLWDQ-INIZCTEOSA-N 405.524 1.865 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC(C)C 1301296035 DIEICLIRSXIRML-KRWDZBQOSA-N 421.523 1.741 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1301424613 MYRYTBWGXOEPDN-QGZVFWFLSA-N 405.524 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCCOCC1 1301577321 MXOSSCHXHDQXEB-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(N)=O)CC1 1301577523 KSKZYMDDQVJTTO-UHFFFAOYSA-N 403.508 1.248 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301584458 ANAYMRCLGCPILU-SJORKVTESA-N 410.540 1.531 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCSC1 1301808881 HMZIZUJIBQDKJI-IBGZPJMESA-N 402.524 1.498 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCOC3)nnc2N(CCC#N)CC2CC2)C1 1302467478 ANFKBLQFPRHHLL-SJORKVTESA-N 422.555 1.194 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Cl)cn2)C1 1302979309 HBKDHFHFMXNCAJ-KRWDZBQOSA-N 406.853 1.506 30 10 HDEE C[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCCCC1 1303665764 FSJXKVOLOBKURJ-ZWKOTPCHSA-N 415.542 1.394 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 1306822995 SRPGRYPWBUCXTB-UHFFFAOYSA-N 414.487 1.339 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1307876169 ZTFGFQAXEURMNP-OXQOHEQNSA-N 421.519 1.220 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1309575003 FITRZAUAVPJTCA-GFCCVEGCSA-N 402.266 1.649 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncc(Br)cn1 1313380523 AVIYYICIJYUNKB-LLVKDONJSA-N 417.271 1.321 30 10 HDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1315820170 XPLVBINVRMHEJY-KBPBESRZSA-N 423.518 1.819 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1337636417 NVUPWIBBJOUIRG-SJLPKXTDSA-N 423.491 1.942 30 10 HDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1358954637 PCIABPHJMDSWAG-UHFFFAOYSA-N 423.564 1.540 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1359024403 MDRMUKXQKFFUII-KRWDZBQOSA-N 423.583 1.141 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)CC1 1359179531 XPNHTGMZYOINOP-MRXNPFEDSA-N 407.540 1.109 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)N1CCOCC1 1360540861 GJRIPVBUOFPOJH-OPAMFIHVSA-N 423.521 1.239 30 10 HDEE COC(=O)c1cn([C@@H]2CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)nn1 1435818784 KGBDOLXKTYXZMB-CQSZACIVSA-N 418.251 1.715 30 10 HDEE Cn1ccnc1[C@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1446522130 WLNKNCKJKKYZSQ-QGZVFWFLSA-N 420.466 1.442 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1SC 1461141303 NIPUBBOEYJWYCF-LHHMISFZSA-N 416.503 1.788 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1464638738 JFMPSHPOKGOTSJ-UHFFFAOYSA-N 424.461 1.685 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1464832254 WBKDSMXLMZVXNI-UHFFFAOYSA-N 422.489 1.430 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 1468539616 UGIRPRQEOLWDQA-IERDGZPVSA-N 415.494 1.362 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C(C)C 1470397775 KDHKNYWTGCRXLK-ZWKOTPCHSA-N 400.527 1.209 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1cccnc1 1471082188 JEYZYDKFHKAMMZ-GVDBMIGSSA-N 419.478 1.470 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CS(N)(=O)=O)CC1 1472505229 REKCRJVDNLUZQJ-HNNXBMFYSA-N 403.545 1.763 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1475437401 NRCQPJCFUDAWDD-GFCCVEGCSA-N 410.439 1.561 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1492589176 YPXKINXMUQUHJE-ZWKOTPCHSA-N 408.506 1.821 30 10 HDEE CC1=CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1492610584 CGMIKDZFGHKDJJ-ZPHPHTNESA-N 406.450 1.418 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499729621 VJMFFLKZTWUMMC-IAGOWNOFSA-N 414.510 1.842 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCOC2)c1 1505314069 RKBBNNUWUJTDOW-INIZCTEOSA-N 410.478 1.324 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1507514948 QUEZJDFDPCNDNB-INIZCTEOSA-N 404.478 1.601 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635611 UKFIVKUURORJJF-SFHVURJKSA-N 405.568 1.342 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1507639047 VEJLELYWRJCXSM-JKSUJKDBSA-N 412.581 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1507647587 DZWOTHAAKVPOCG-PMERELPUSA-N 422.514 1.033 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1507727442 ITFUGVBACNLJOC-UHFFFAOYSA-N 422.533 1.512 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1507962219 NZHUKEMKPZMMSB-QGZVFWFLSA-N 413.526 1.939 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@H](OC)C1 1508145236 YNBMFDPDBWLLND-KRWDZBQOSA-N 420.535 1.703 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1509953692 RXXKXCSFZGWOHL-GFCCVEGCSA-N 413.873 1.943 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N2CCOCC2)n1 1511100865 BHIHQSAPUVSFOS-UHFFFAOYSA-N 409.494 1.637 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1517321496 YKDQLMGTIIGGKJ-LJQANCHMSA-N 407.478 1.955 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccs1 1519449896 OGEGSDMURXHUHO-DZKIICNBSA-N 404.496 1.430 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2cnc(Cl)cc2C#N)cc1 1525045985 AUHGBBRPQOBMDP-UHFFFAOYSA-N 406.851 1.721 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)cn1CC 1525796822 XGJNNVJXXMEJGT-GVAFMPQTSA-N 410.430 1.302 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3coc(C#N)c3)CC2)c([N+](=O)[O-])c1 1526678283 HJYBHJNTAOSYST-UHFFFAOYSA-N 404.404 1.425 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 1533941554 CTMOQCOELOVZEH-INIZCTEOSA-N 414.425 1.905 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(C)c(C#N)c2)C1=O 1534456528 PKNMQQCXLIGGMY-JOCHJYFZSA-N 406.442 1.959 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)nn1 1536910433 VOPVJZGJCXYFIJ-LBPRGKRZSA-N 404.268 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnn1 1539004697 MMQXRXPFRFUBLB-CQSZACIVSA-N 403.450 1.734 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1539199729 SOPUNEFSPSPYNE-BXUZGUMPSA-N 412.227 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1539273399 QNAGSLFWDSFXBB-UHFFFAOYSA-N 419.485 1.487 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN(C)S(=O)(=O)CC)CC1 1539431406 ROMNUPNEYHJOMZ-QGZVFWFLSA-N 410.588 1.218 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539520718 SSPGSRHQROPFRK-FQEVSTJZSA-N 412.519 1.661 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CC(=O)NC(C)C 1540867025 IEUUDUZMUCKDNN-UHFFFAOYSA-N 421.505 1.756 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1541806252 HHJOEKGIDKEXLM-CQSZACIVSA-N 424.502 1.626 30 10 HDEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)cnn1C 1542078761 DYJLBTFIFCJLEA-JOCHJYFZSA-N 418.505 1.973 30 10 HDEE CN(C)CCn1nccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1543097223 UQXPHAHOLNLROM-PYCFMQQDSA-N 418.523 1.510 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1547912978 IXQKXXQERAQWHW-HXUWFJFHSA-N 414.466 1.112 30 10 HDEE COCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369635 XRDFNABXSCHRHH-MRXNPFEDSA-N 410.396 1.519 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCn2ccnc2C1 1555556576 DONAZVNOOJCKLM-CVEARBPZSA-N 412.498 1.055 30 10 HDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1555714052 LMNJEKQWZSYVSP-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE COCCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1555714763 IAWJIYIISWERPT-JXFKEZNVSA-N 404.515 1.802 30 10 HDEE CS(=O)(=O)[C@@H]1CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(F)(F)F 1559994661 JAKNJPKXNHUCQD-RBSFLKMASA-N 401.410 1.571 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN(C)C2=O 1584815816 RTCOWVZRSNKTQZ-CYBMUJFWSA-N 412.471 1.492 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1585082152 KHGHOGSUKUTOKR-FUHWJXTLSA-N 422.445 1.097 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1587550754 QVJKPDIWQDTFIY-MRXNPFEDSA-N 404.478 1.601 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C(C)(C)CC1 1587669544 RILXJIBWOJQLJP-UHFFFAOYSA-N 419.482 1.459 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1587822725 BJSPEVXOUITHGQ-UHFFFAOYSA-N 412.450 1.562 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1588060064 YTIQOCAGGRUFOV-CVEARBPZSA-N 412.556 1.155 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588181579 XFESZDOTSCREFA-QGZVFWFLSA-N 420.517 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N(C)C 1588594592 IYWHDPQFYJUTLV-UHFFFAOYSA-N 420.311 1.882 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1COCCO1 1588613314 WIXXFVCXUCPRBB-QGZVFWFLSA-N 416.478 1.464 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1ccccc1F 1588620244 QIZKKDYCCUQJQL-UHFFFAOYSA-N 410.453 1.928 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1595545510 YAUFPHZXOCTUSL-XQQFMLRXSA-N 403.405 1.240 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnccn2)CC1 1595883819 CBMIKZMXRWUBRC-INIZCTEOSA-N 401.540 1.818 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)Nc1ccc(F)cc1 1596782254 HBEULUWPTLSDOV-ZDUSSCGKSA-N 401.446 1.790 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C2)nc1 1596977948 KPTKLFAYHNQWOW-NZQKXSOJSA-N 405.502 1.993 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1598235054 CCEXWEAMRRDGQY-NRFANRHFSA-N 412.494 1.462 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C 1598321079 IDHUNNUNJRAUHF-UHFFFAOYSA-N 402.476 1.725 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1612493425 UXVCQXWOFFHPAM-YWZLYKJASA-N 414.489 1.496 30 10 HDEE C#CCN(Cc1cc(C(=O)OC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 1616160333 YGKHJZZQSZFJGH-CQSZACIVSA-N 400.294 1.858 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1617799589 IDDKNRAARHZIEH-UHFFFAOYSA-N 422.497 1.244 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)C(=O)OC 1617951356 UCKWYGHEILBCIA-ZDUSSCGKSA-N 410.224 1.383 30 10 HDEE COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1619841047 YHAWRULHUYIWOQ-CQSZACIVSA-N 406.512 1.433 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3cncn3C(C)(C)C)C2)C1=O 1623618494 OTJIASPBIQVSBK-CQSZACIVSA-N 401.467 1.321 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1626455880 RAXUBXQENGAYIF-AWEZNQCLSA-N 407.467 1.740 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CSC1 1629033846 KOEAIZYJGMQJHR-UHFFFAOYSA-N 402.335 1.941 30 10 HDEE Cc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1630810508 FBLDCIHZBUJMSW-MRXNPFEDSA-N 415.343 1.486 30 10 HDEE COCCCNC(=O)CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1631254056 JDAPTTAJNAPPFP-TZQQIIETSA-N 422.526 1.384 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1632219053 RHRUPKXZGRACSF-GOSISDBHSA-N 406.402 1.912 30 10 HDEE COC(=O)c1c(C)sc(C)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1632886858 NGWAMXYPFOKUSH-UHFFFAOYSA-N 407.473 1.829 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(Nc4nn[nH]n4)c3)C2=O)cc1 1633898119 SFALYZWFMIPDFH-KRWDZBQOSA-N 402.418 1.740 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCn3c(S)nnc3CC)n[nH]2)c1C 1633936319 YNSMGPPFGXKUJQ-UHFFFAOYSA-N 400.512 1.949 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nc2c(s1)CCC2 1634135240 BLAPRVIWOWYWOX-UHFFFAOYSA-N 404.517 1.419 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3ccccc3Cl)C2=O)cc1 1634583750 CNIVUFUYXOLMFW-GOSISDBHSA-N 410.861 1.859 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)n(-c2ccccc2)n1 1636633015 DNRQNOKVRUJEBL-AWEZNQCLSA-N 406.446 1.452 30 10 HDEE O=C1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1639495301 BJLAFNXESDIASP-CQSZACIVSA-N 406.508 1.070 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)c2cccc(CC(=O)OCC)c2)c1 1640507045 GAJHQPOHXSUQME-UHFFFAOYSA-N 414.483 1.980 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1641288216 IYWBKALZCKOXIW-RHSMWYFYSA-N 410.923 1.745 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](CNC(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1641812377 OERBFIZYBFVABX-ZDUSSCGKSA-N 405.417 1.774 30 10 HDEE O=C(NC1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1)C1CC1 1641857900 MEHSMHUNVDVGSE-UHFFFAOYSA-N 413.474 1.976 30 10 HDEE C=CCC1(NCC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CCCC1 1643837469 IZMUYYKBCHMCTB-FQEVSTJZSA-N 400.479 1.972 30 10 HDEE CO[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1C(F)(F)F 1648790450 JJZBQEHMHMZXEQ-AWEZNQCLSA-N 408.336 1.610 30 10 HDEE CC(C)(C)C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(F)cc1 1652960073 LYDQQFKZSXOFMC-KRWDZBQOSA-N 416.453 1.307 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1655326198 CODNFYMULICMDB-OCCSQVGLSA-N 419.322 1.661 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1656410605 FYEYCVLTPLBUBC-OAHLLOKOSA-N 408.480 1.078 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(C#N)c(Cl)c1 1659728941 XOEOVPGFGBICOT-CQSZACIVSA-N 413.883 1.202 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](CNS(C)(=O)=O)C1 1660058567 DJZSYXUZVRTTME-LSDHHAIUSA-N 410.565 1.748 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1661819706 PACDQEPCOXOAMV-IBGZPJMESA-N 404.488 1.312 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1664372299 OJSNHXHGHWEEKV-VIFPVBQESA-N 406.229 1.398 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1665209826 FXLKDYCKOOMOPY-UHFFFAOYSA-N 422.551 1.946 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1)C2 1687386567 MGTNPHAJQJMKLH-HZPDHXFCSA-N 405.501 1.221 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)C1 1687593199 LFFVDBRUUGXQHE-RTBURBONSA-N 404.536 1.700 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)O)c1 1689870642 VGQVISQITIDEPV-MRXNPFEDSA-N 410.478 1.056 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](F)COC 1690043781 NOOZVQRPJSISQN-INIZCTEOSA-N 422.464 1.639 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690508469 JRXMJPKEBHORGM-GOSISDBHSA-N 420.558 1.959 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1690715856 WLCFDBQYTIIAIF-AWEZNQCLSA-N 423.543 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCc2oncc2C1 1690723190 KTBYIGDGIGPULD-UHFFFAOYSA-N 414.491 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)CC 1690724677 UHTMSOXFJOIKDK-CABCVRRESA-N 418.585 1.263 30 10 HDEE CC1(C)COCCN1CCn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1692869218 CLDPVVSODHZBKZ-GOSISDBHSA-N 402.543 1.850 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCOC1 1696631651 SBIDDBPNXLHYSL-SFHVURJKSA-N 415.519 1.867 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1697361105 DMMASYMYNYAEQW-GOSISDBHSA-N 422.486 1.335 30 10 HDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)CC)CC1 1705635256 VDWXMNCNPCHQLU-UHFFFAOYSA-N 420.561 1.982 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC1 1705638432 KYHUOHSXZURBRZ-LJQANCHMSA-N 422.533 1.820 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1705639610 SDCFYBUNYNKIBK-CVEARBPZSA-N 415.460 1.895 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1705642064 FLDKGAZURIPOBQ-UHFFFAOYSA-N 416.489 1.266 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705685548 CIZDXRXYVCKMKI-QWHCGFSZSA-N 421.361 1.950 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1705693757 KDZGBEMRMKAGSV-VYDXJSESSA-N 404.515 1.064 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CCCOC)CC1 1705769402 RJFACXNXIQHMMD-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCn1c(Nc2cnn(CC3CCC3)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1705893470 JEUYAFJKFVNKJO-MRXNPFEDSA-N 421.527 1.537 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1705903460 WPOVGUPSALNORB-SFHVURJKSA-N 413.526 1.939 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2ccccc2C)CC1 1705908290 MSTUOLTURMFQSG-UHFFFAOYSA-N 412.538 1.747 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)cs1 1707761326 MXOBOOZCMFSNPN-KRWDZBQOSA-N 412.523 1.729 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC(=O)N1C 1708176834 GOLZGHVLPUYZKT-QGZVFWFLSA-N 405.506 1.746 30 10 HDEE CC[C@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1709221565 GKXBGMBAZGPSCH-PBHICJAKSA-N 402.524 1.991 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1711510024 BAXDECPBIRTLRP-INIZCTEOSA-N 404.478 1.968 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1712674936 MEOGSURXQFCLQU-HOTGVXAUSA-N 409.450 1.030 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722280765 WQDSISVNJKNVLO-KBPBESRZSA-N 403.508 1.425 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722316776 MKBNYKHFTZQSJN-RBSFLKMASA-N 408.480 1.098 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722335132 BIFBKPDAACWBFP-JKSUJKDBSA-N 424.509 1.040 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1722362903 CYSMVGCSLGSUBQ-DLBZAZTESA-N 404.540 1.623 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1722363985 IYNRWPLWZAUSLY-KRWDZBQOSA-N 417.491 1.440 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1csc(CC)n1 1722427290 MPWNGCQSXAQBHD-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1722436455 GYUBLEBAXWSILL-RBUKOAKNSA-N 416.570 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)CC2)CC1 1722444249 VOLDLVGIDMMVMA-JOCHJYFZSA-N 415.538 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722446703 JCZKPULBIPBBTJ-ZWKOTPCHSA-N 421.567 1.446 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCOC2)C1 1722453356 RHJFYPYXPHDJNJ-FQEVSTJZSA-N 421.567 1.559 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722523236 JDVRKRHDNUUGCJ-IAGOWNOFSA-N 402.543 1.537 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722618127 WHIMAYHLAJVAJX-KRWDZBQOSA-N 421.509 1.762 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722627593 ZFCSBGVQZZQMNI-UHFFFAOYSA-N 422.555 1.394 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722728082 TXIGFJAWXPPKKX-UHFFFAOYSA-N 421.567 1.595 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](COC)C1 1722729509 MTESSPXTLVAZHY-INIZCTEOSA-N 405.524 1.337 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)CCCO1 1722865390 FNRRXNBQTOVWDT-IRXDYDNUSA-N 400.531 1.775 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1724657829 RUWYMISDZVTJJW-OSFNYYGPSA-N 401.551 1.900 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1740532525 HLINLPOKLGLMCA-GJZGRUSLSA-N 417.535 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1740548547 IPJPLJJZDVNJSI-PBHICJAKSA-N 419.507 1.188 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740583379 XOLSBBWETJYFNH-UHFFFAOYSA-N 418.479 1.348 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOC(C)(C)C1 1740594665 UYJIPGIMRYTAKU-UHFFFAOYSA-N 402.543 1.361 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1740651312 FXBYXXXJIGBJJK-KRWDZBQOSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC 1740657188 VBYSWGYAGODDIG-UHFFFAOYSA-N 405.549 1.531 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1740668409 LZIVPOWRNHWJAD-IBGZPJMESA-N 410.522 1.677 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@@](C)(CC)O1 1740678482 MYHAZCSMWBMURU-DYESRHJHSA-N 403.527 1.948 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1740700634 XWZMXVRUEMIYMP-UHFFFAOYSA-N 422.577 1.669 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(C)on2)CC1 1740704202 LVVGKYBDLUFSDE-UHFFFAOYSA-N 405.462 1.651 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@H](C)C1 1740717402 ROMFLTPQOAMCLR-QLFBSQMISA-N 414.622 1.877 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964672 GIKWIVXBVWVBHS-OALUTQOASA-N 406.462 1.063 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1748670923 DTRUZUHQQZXNGM-LZLYRXPVSA-N 405.568 1.655 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748740247 OIGFLQIJVVJKHQ-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1748757431 BFGHKBCPBDSTGI-UHFFFAOYSA-N 416.570 1.609 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748814618 HMVBPCXLGOEBHY-HLIPFELVSA-N 424.567 1.206 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1748818273 YNMUORUTZXKJSK-FUHIMQAGSA-N 422.551 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1748835430 BRMFLYLBKFBSOV-KSFYIVLOSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCC1(O)CCOCC1 1748860430 YULRCFZPAWQQMH-UHFFFAOYSA-N 424.501 1.870 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H]1COCCO1 1748957064 SYNQXRCZTHWJTJ-KRWDZBQOSA-N 414.462 1.565 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccccc2)CC1 1748994979 UZITWDXGLLLJMF-QHCPKHFHSA-N 422.533 1.063 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749367192 RNHMYUZKEILCRY-JKSUJKDBSA-N 411.572 1.902 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC)C1CC1 1749512359 ZNJIHKGCGWXWCY-UHFFFAOYSA-N 421.509 1.848 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@](=O)C(C)(C)C)cs1 1751782247 CAUZCOSYHPZRGW-HBIPHATFSA-N 422.580 1.910 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1760118002 WQLQZOYRAKHMJD-UHOSZYNNSA-N 415.563 1.941 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](F)COC)c1 1760125467 IEKFYRZFOIZCJD-MRXNPFEDSA-N 423.452 1.776 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1760205702 HYCMBBQQHWNSTL-SFHVURJKSA-N 412.515 1.618 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2conc2COC)CC1 1760254799 LHHWQOZYMZVZIF-UHFFFAOYSA-N 422.489 1.892 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(C)CCCO2)CC1 1760267906 FMYPAVGSIPTNMU-QFIPXVFZSA-N 408.506 1.875 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CCOC 1760296073 YTNASLYBGUKGNA-FXAWDEMLSA-N 423.583 1.141 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760449070 ZIMQSGTXRSBHRR-OXQOHEQNSA-N 402.499 1.656 30 10 HDEE C=CCN(c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1760474742 FYSCBCISDOVVPS-SFHVURJKSA-N 408.549 1.635 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1763200978 DENMJOABTMYRIU-RTBURBONSA-N 407.522 1.872 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1766219640 CUVVOLLKZDCROS-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1766891984 DZBBNZUUIDPMML-OKZBNKHCSA-N 409.494 1.261 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1767686575 BNVNPEUJBDLCBM-IBGZPJMESA-N 424.505 1.585 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1768518562 RFKSJOVUYPITTF-OAQYLSRUSA-N 411.510 1.097 30 10 HDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1770653155 MRERICBAEBOMMF-ILXRZTDVSA-N 406.487 1.424 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1771535025 ARHLZUBMBNVQKL-SFHVURJKSA-N 421.548 1.220 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC2CC2)CCO1 1771537564 QJYMSELCRXDRTF-AWEZNQCLSA-N 416.432 1.402 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1849812308 ROLDQKGRGGGUIO-CQSZACIVSA-N 406.446 1.057 30 10 HDEE O=C(NCC#Cc1cccnc1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1849996055 DGZYULYLJUQLFE-KRWDZBQOSA-N 401.463 1.789 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN3CCCS3(=O)=O)ccc21 1850210176 RFHJQZRBMSEGBB-UHFFFAOYSA-N 407.492 1.598 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852468581 NOAQJTGFWYGWMB-IEBWSBKVSA-N 422.441 1.674 30 10 HDEE COc1ccccc1CN1C[C@@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852469181 WOPQPJWEYHYTDP-ROUUACIJSA-N 422.441 1.674 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCc4cc(Cl)ccc4C3)C2=O)CC1=O 1854213265 NHGLLNFIDRFYRS-AEFFLSMTSA-N 401.894 1.860 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cn2c(C)nc3ccccc32)C1=O 1854282591 LQADYNBOKKLUIJ-RTBURBONSA-N 409.490 1.191 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(Cc3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1854732321 SSBSQHDQTYIUEJ-INIZCTEOSA-N 411.483 1.804 30 10 HDEE Cc1nc([C@@H]2CC(F)(F)CN2[C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1854884477 HITARTURLDZQCZ-KBPBESRZSA-N 402.361 1.468 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855065437 RBETYBYMCQPHAB-ZWKOTPCHSA-N 423.579 1.464 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C2)CC1 1856149478 KIKZCWXDHXYHFZ-MOPGFXCFSA-N 412.490 1.864 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCN([C@@H](C)CCC#N)CC1=O 1856421815 MXAGCSYTAUPEHO-INIZCTEOSA-N 408.458 1.823 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(Cc4cccnc4)CC3)CC2=O)cc1 1856609304 RYVKKPNPISMFML-HXUWFJFHSA-N 403.486 1.760 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC3CC(F)(F)C3)C2)CC1 1857034217 OGMGZKPJWKBRGK-CQSZACIVSA-N 403.451 1.362 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)cc1 1857144155 HVQZGKNQOZGCCT-KRWDZBQOSA-N 400.479 1.123 30 10 HDEE COc1ccc(SCC(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)cc1 1857161317 LIRCZDFPRCQBNU-KRWDZBQOSA-N 416.547 1.836 30 10 HDEE COc1nn(C)cc1C(=O)N1CC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O 1857300923 ZAVKGDXUTZBZEU-GOSISDBHSA-N 407.474 1.727 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545788 NFOONNXTISEXOH-UHFFFAOYSA-N 412.490 1.223 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340015 GCXAAEXLCMIJSX-LLVKDONJSA-N 402.363 1.186 30 10 HDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1870150132 ZNZOYNQWGUFXPR-ZDUSSCGKSA-N 409.450 1.683 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)CC1 1872897828 FZJMRUBLTNZFIK-QGZVFWFLSA-N 412.490 1.539 30 10 HDEE CC1(C[S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)CN(C(=O)OC(C)(C)C)C1 1877682028 MUPXPUOBUHGBRS-RUZDIDTESA-N 406.530 1.041 30 10 HDEE C#CC[C@@H]1COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2057291455 XLPVNIZPYSALKW-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE Cn1nnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2074368941 WGJIAHCJOJQKSO-MNOVXSKESA-N 414.308 1.022 30 10 HDEE C#CCN(C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180132773 HVOSYDHOIQCBBL-LSDHHAIUSA-N 400.497 1.645 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217477930 ZOHPBRMLYRTMLF-HOTGVXAUSA-N 419.331 1.967 30 10 HDEE CON(Cc1nscc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2235512340 BONSEEUNUBKIRM-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243491655 DOCLNOQIRSQIQO-GFCCVEGCSA-N 406.292 1.419 30 10 HDEE COC(=O)[C@H](CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2245251533 AFCGXSUIQWWJCS-LXKVQUBZSA-N 412.292 1.747 30 10 HDEE Cc1c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247780138 FRPKRCBWWQKTJX-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247849339 YVOOMSFRKXFVRP-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2247861632 NQLJUURPSCBCHH-UHFFFAOYSA-N 410.283 1.294 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247917957 MUYMLJBKUABPSJ-JSGCOSHPSA-N 420.319 1.837 30 10 HDEE C[C@H]1NCC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353745 MSYKDQUOYFHTTL-MWLCHTKSSA-N 406.766 1.729 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@](C)(O)CO3)cc2Cl)OC1(C)C 2267355861 WBZBWEVTEURXBW-CQSZACIVSA-N 409.722 1.388 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CSC1 2267467508 OMTPAPXBTVJOBI-SNVBAGLBSA-N 404.388 1.613 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]2(C#N)CCSC2)OC1(C)C 2267709400 BAMUGAFKKORYCT-HNNXBMFYSA-N 400.356 1.725 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270528651 PLLAFLBBMJWLCE-KRWDZBQOSA-N 424.519 1.766 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCO[C@H](CN)C3)c2Cl)OC1(C)C 2281937178 WONIKUZRTLIEDX-MNOVXSKESA-N 400.737 1.937 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCCC(N)=O 2282315692 REHNGPRMWWLADJ-UHFFFAOYSA-N 402.347 1.290 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327954 QBKIINRXXUZNSB-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE CN1CC[C@](C)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335676 SRHKZGGCKWGCET-QGZVFWFLSA-N 400.375 1.667 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N1C 2282501593 ZCKIZUOPMJQUFO-STQMWFEESA-N 400.375 1.808 30 10 HDEE CN(C)[C@@H]1COC[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282638829 SBYJYCCENPEXGU-NWDGAFQWSA-N 400.737 1.760 30 10 HDEE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282643019 VMIJHWJAOOTMNB-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]2C(C)(C)O)sc1B1OC(C)(C)C(C)(C)O1 2282829340 DAJFDTYPYMDIJI-GFCCVEGCSA-N 401.359 1.890 30 10 HDEE CS[C@H]1C[C@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282835480 VHWLEHJAKKDDII-HAQNSBGRSA-N 401.363 1.139 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1C 2282856550 USFILMOKKYLVFK-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@](F)(CO)C3)c2)OC1(C)C 2282858658 AEXHDCHUGDMACF-INIZCTEOSA-N 405.322 1.532 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2282870060 LZZLADZGVLTQFA-YDBLSZJJSA-N 419.399 1.330 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871866 MTXTVMDBJHLIGH-GWCFXTLKSA-N 400.375 1.632 30 10 HDEE C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877881 YGKHDEXYNLGEAJ-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CC[C@@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284400988 ZOYZCSTXSVBHSY-MRXNPFEDSA-N 403.331 1.887 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284404396 XVSNLCSEPFVERE-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CC[C@@H]2C(=O)O)OC1(C)C 2284410261 AUMJJIWYKBPKDW-MNOVXSKESA-N 401.315 1.436 30 10 HDEE COCc1nnc(SCCCO)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331595827 ZCBNELGVLNUBBO-UHFFFAOYSA-N 409.424 1.461 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)N[C@H](CS)C(=O)O)C1 2344175298 QKAHUPXCUNAKQU-GRYCIOLGSA-N 408.457 1.734 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H]4[C@H](C3)CS4(=O)=O)c2Cl)OC1(C)C 2361529840 JKKHPIBLWDGPSS-MWLCHTKSSA-N 417.745 1.570 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365203245 HWIPKAMWOQUZPC-XHSDSOJGSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](Cc1cncs1)NC(=O)OC(C)(C)C 2365210561 KRPGNHAAMMBRCA-HUUCEWRRSA-N 415.581 1.994 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1OCC[C@H]1NC(=O)OC(C)(C)C 2365211321 NJSHOKUGSBLYBM-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CC[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2365242323 YIWNTSIWWOCSMQ-SCLBCKFNSA-N 405.513 1.976 30 10 HDEE C[C@@H]1[C@@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2370678430 QBCFQOCFDCJCQZ-OBJOEFQTSA-N 401.359 1.827 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2375226864 MKXRXZWNVQSBAD-KDOFPFPSSA-N 402.513 1.257 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 25302349 XVVOXJDBNTZSPE-OAHLLOKOSA-N 402.322 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)CC1 54709484 XIOZCNDPJRRXFI-UHFFFAOYSA-N 411.481 1.560 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C[C@@H]3CCCO3)nnc12 110541950 USVKGNKNCSVWPR-AWEZNQCLSA-N 413.503 1.960 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cn2cncn2)c2ccccc2)c1 110922466 OBSAPMSOAOQRTN-LJQANCHMSA-N 411.487 1.914 30 10 HDEE N#CC[C@H](N)c1nc(I)cc(I)c1O 238624937 CNKSPFKGLYLMRY-YFKPBYRVSA-N 414.972 1.910 30 10 HDEE C=CCn1c(=NC(=O)c2ccc([N+](=O)[O-])o2)sc2cc(S(N)(=O)=O)ccc21 254289676 HIVXBLUVKPNYEX-UHFFFAOYSA-N 408.417 1.779 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCO1 409475698 JLGLLPJZANWSAO-OLZOCXBDSA-N 406.386 1.023 30 10 HDEE Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1N1CCCS1(=O)=O 427289381 UVNTZNLQRUYYKO-UHFFFAOYSA-N 406.489 1.911 30 10 HDEE CN([C@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443110160 ATGACAALGPCKPW-INIZCTEOSA-N 400.416 1.892 30 10 HDEE COC[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 464179389 FWVRFDDMJCYEAY-AZRUMMKTSA-N 419.481 1.511 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cn1C 474258061 JIBDMLRRWIOYGR-UHFFFAOYSA-N 413.503 1.165 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 475748019 FBWNPRNSRFKLFL-KSSFIOAISA-N 404.854 1.636 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 492304115 BWZWHOLEUUSAHC-UHFFFAOYSA-N 414.550 1.550 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 492781137 AZNUKKMTOKLTJF-GJZGRUSLSA-N 417.579 1.968 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)cc1[C@@]1(C)NC(=O)NC1=O 503834894 WYTPEMXGFOQJHE-GOSISDBHSA-N 406.464 1.064 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 505882892 LFHCWGRIUXYYJS-UHFFFAOYSA-N 422.533 1.862 30 10 HDEE O=C(CN(CC(=O)NCC(F)(F)F)Cc1cccc(F)c1)NCC(F)(F)F 507421002 KUARSHGHMRDVRC-UHFFFAOYSA-N 403.298 1.985 30 10 HDEE CC(C)(CNC(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)N1CCOCC1 507846976 KHYDOKQOLLVTNA-UHFFFAOYSA-N 400.523 1.628 30 10 HDEE C=CCn1c(COc2ccccc2F)nnc1N1CCN(CCC(=O)N(C)C)CC1 508870601 ALHMXDRUOQAYIN-UHFFFAOYSA-N 416.501 1.783 30 10 HDEE COc1c(C)cc(C)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 509176300 ZEUJJTIOJDRLBT-HNNXBMFYSA-N 401.492 1.873 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@H]1CCCO1 512720305 KFSDDFWWFFHMTO-GDBMZVCRSA-N 414.531 1.423 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2CC(F)F)CC1 513382621 YBACCVDTBGAJDU-MSOLQXFVSA-N 410.440 1.891 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 514835595 KOFJYTZQTQNZMU-INIZCTEOSA-N 413.474 1.033 30 10 HDEE Cc1cc(C#N)ccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 533373685 SMAIYPOZQVLTCD-UHFFFAOYSA-N 401.444 1.846 30 10 HDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)n1 544755382 CWUVAQXKFDFAFS-UHFFFAOYSA-N 408.462 1.731 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccccc3OC)CCC2)CC1 546861443 RPTNWECACCVMFP-UHFFFAOYSA-N 400.523 1.746 30 10 HDEE CCc1ccccc1N=c1nc(N)nc(CN2CCN(c3ncccc3C#N)CC2)[nH]1 552648544 UUFSCPTXPXHTHX-UHFFFAOYSA-N 415.505 1.771 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 619741280 STKUFFUSSURBQF-OAHLLOKOSA-N 401.427 1.182 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 619834240 DERVKRHRUDDESE-UHFFFAOYSA-N 413.482 1.640 30 10 HDEE C=CCOCCNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 679586538 QRRPMIPQRAGIEC-OAQYLSRUSA-N 407.470 1.819 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1)[C@H]1CCS(=O)(=O)C1 729334311 MDRCMIQQKKZQDB-MSOLQXFVSA-N 402.516 1.614 30 10 HDEE COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649438 VMWQUNINVAYDJC-KRWDZBQOSA-N 412.519 1.875 30 10 HDEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCN1C1CC1 732664803 ORNSFAMYLYQLDM-LJQANCHMSA-N 416.547 1.433 30 10 HDEE N#C[C@@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCN1C1CC1 732668493 GVJSPQYRBZUBNT-HZPDHXFCSA-N 403.280 1.753 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C1CC1 732670083 TWTCBWRURIDTDQ-LLVKDONJSA-N 415.269 1.718 30 10 HDEE COc1ccc(CN2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 733890217 FKYYKENFBFKWNB-QURGRASLSA-N 412.490 1.646 30 10 HDEE C=CCn1c(CCN2CCCCC2)nn(CN2CCO[C@H](C(=O)OCC)C2)c1=S 741243217 VASYNNDOBHRJEC-KRWDZBQOSA-N 423.583 1.850 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2ccc(S(N)(=O)=O)s2)CC1 745252429 HYNQSKYPXGSLTI-VMBJYNEYSA-N 413.521 1.872 30 10 HDEE CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NCCNc2ccc(C#N)cn2)c1 747856573 IYXOCJOLLRRGQL-UHFFFAOYSA-N 407.883 1.699 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1 766979513 YKDFDCRTUYKGAF-OAHLLOKOSA-N 413.455 1.733 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 780895707 ZFQMJIDNNLSHRU-KRWDZBQOSA-N 424.542 1.690 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CSCN3C(=O)C3CCCC3)nc12 783524434 SMQJYEGIRZMTCP-AWEZNQCLSA-N 401.448 1.441 30 10 HDEE COCCN(Cc1scnc1C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 787681548 DVTLQCCLKHXLQI-UHFFFAOYSA-N 422.532 1.555 30 10 HDEE CNC(=O)CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 789096078 POPDCGVTXJNDLY-CYBMUJFWSA-N 402.451 1.035 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn2ccccc2=O)CC1 790681780 FNKIGGSHHNPZNN-VXSPLGDOSA-N 403.479 1.462 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(Cl)c1 797640072 FZUORHPTFOHCBR-OAHLLOKOSA-N 401.875 1.777 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc1F 802342640 LEBQAXJNPBGPCQ-CVEARBPZSA-N 401.442 1.709 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cc1 802363033 WEJCEEHCGJCLBU-LJQANCHMSA-N 420.473 1.987 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(C)(C)C 805148177 VNJHMDYPYKIAJR-ZDUSSCGKSA-N 412.455 1.853 30 10 HDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2)n1 807929790 CXBZNSSSVQFSEF-HNNXBMFYSA-N 422.474 1.766 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CNCN(c2ccc(Cl)cc2)C1 809886251 CNADEYQGPJYNDY-CQSZACIVSA-N 422.942 1.808 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 810069842 JJYPFRKJPVPIKZ-AWEZNQCLSA-N 403.426 1.722 30 10 HDEE C#CCC[C@H](O)CNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 811493999 QBHKWZHIMSRRQN-IVECGHKRSA-N 418.493 1.356 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2nccc3sccc23)CC1 813845787 VQQUENGEAGFAMO-ZZEZOPTASA-N 411.487 1.861 30 10 HDEE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 816693171 DQXBHNRWACEQMD-OAHLLOKOSA-N 405.432 1.216 30 10 HDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)nn1 1126469997 QGNATKXXGIDCRS-UHFFFAOYSA-N 409.443 1.267 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1126629982 VXHLIAMLNJKSGG-SFHVURJKSA-N 419.522 1.828 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)cnc21 1126948362 QSLLIIFYFQZTJZ-CYBMUJFWSA-N 400.439 1.055 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1C(=O)OC 1134900087 CILXUMGJHAYGPA-HZPDHXFCSA-N 417.437 1.334 30 10 HDEE C#CCN(C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136354995 GRLAWTJDSSPFEJ-AWEZNQCLSA-N 419.503 1.642 30 10 HDEE N#Cc1cn(CCC(=O)NCc2ccc(COC3CCOCC3)cc2)c(=O)nc1O 1151891243 ARMOTGVNPIDBDV-UHFFFAOYSA-N 412.446 1.223 30 10 HDEE C=CC[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1154006973 JMFZZSTZLRHUOQ-CABCVRRESA-N 411.499 1.374 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)nn2)COC1 1154116239 BRTLDLQBWAXXCR-QGZVFWFLSA-N 408.462 1.502 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)cc1 1158957159 COYADRLIKYSFQJ-MSOLQXFVSA-N 403.504 1.644 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1184168756 WOBSOSSDEXPWLO-PMACEKPBSA-N 420.469 1.702 30 10 HDEE Cc1ccc(CCC(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1184273717 VHUPCBNOMGIHOM-UHFFFAOYSA-N 423.469 1.948 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1226111433 IVBWULCKSPFZNQ-XYPHTWIQSA-N 400.435 1.026 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)[C@H](C#N)C1 1233853438 QCADLJBACJUTLV-YVECIDJPSA-N 406.405 1.558 30 10 HDEE N#Cc1csc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 1252843884 KVZKHNBWIAUWSR-UHFFFAOYSA-N 405.505 1.249 30 10 HDEE Nc1n[nH]c(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1254332813 QFQRLDWQWYXAGU-RFZPGFLSSA-N 408.253 1.699 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)c1 1254488738 MJVKMQLHDCWENR-UHFFFAOYSA-N 409.446 1.880 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(c3cccnn3)CC2)cc1Br 1264880958 BYZAMQMTPPTTGO-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE C#CCC1(C(=O)N(C)[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1284409656 XFGKHQTXDWAKEL-NADOGSGZSA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ncnn1C(C)(C)C 1286289666 MTDUXFGNSXBWSB-CYBMUJFWSA-N 410.482 1.859 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1286295575 JJWKEKOZZJTOHI-SJLPKXTDSA-N 417.535 1.426 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOCC1 1286344277 HCBAGYRQEGOVEJ-UHFFFAOYSA-N 421.509 1.103 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1286383028 KWNJORQCOSVFII-MRXNPFEDSA-N 416.503 1.924 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1286386813 HXJYQPXKKVPUDS-QGZVFWFLSA-N 419.551 1.727 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1286469352 SOXONIXEKYQSET-BCDXTJNWSA-N 403.527 1.690 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC)C2)CC1 1286652348 WGHDIGWNTNAMJX-DOTOQJQBSA-N 410.588 1.633 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1286782584 ZAJRSUMDQOTHNV-QGZVFWFLSA-N 408.462 1.508 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286809516 TZYYSSRVNOAZFB-DLBZAZTESA-N 417.535 1.865 30 10 HDEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1286963026 ODUNLVFNDLSMEV-OAHLLOKOSA-N 423.525 1.449 30 10 HDEE CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)OC 1291923190 RHVWWTXXJOGIBW-CQSZACIVSA-N 416.482 1.940 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1296130336 FAHVYHUPEKXAQU-UYAOXDASSA-N 415.586 1.938 30 10 HDEE COC[C@]1(CO)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1298046177 CTCMMCBASGUTPH-GOSISDBHSA-N 408.296 1.614 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1298341182 CZUOAIZXLFQCBF-LJQANCHMSA-N 417.473 1.727 30 10 HDEE Cn1cnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)n1 1298863693 ADMCMAJVYASWOD-LJQANCHMSA-N 406.454 1.232 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](OC)C(C)C 1300440292 SNAGYYMQJBYKEB-GOSISDBHSA-N 419.551 1.936 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300495702 JPIQOLXVBGKESQ-IAGOWNOFSA-N 424.592 1.718 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300497394 AYVXAFYBKHAFKG-ROUUACIJSA-N 402.520 1.855 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1300502271 KQMXXFUTRIYUFZ-OXJNMPFZSA-N 423.535 1.140 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(=C)C 1300578541 LVRXOJMWTMHPOH-GUDVDZBRSA-N 416.547 1.624 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)N2CCCCC2)CC1 1300695712 HAOPTYQKFOWFHN-IBGZPJMESA-N 410.570 1.698 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300768600 UNIMBKTXUSYGLB-HXUWFJFHSA-N 413.551 1.223 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCS(C)(=O)=O)CC1 1301124666 JUXYHJOFFGMDHN-KRWDZBQOSA-N 412.556 1.983 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1301270578 JFBLLPZNEILPCJ-GHTZIAJQSA-N 407.559 1.909 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CCO1 1301358859 FGQIQTJQAODVAL-INIZCTEOSA-N 411.491 1.877 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1301478892 QYBFRMRIGKLLBX-ILXVDBEPSA-N 400.527 1.733 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 1302674899 UXNNEVNDAOFUGJ-QWHCGFSZSA-N 408.480 1.481 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 1303793271 ZHYKIZSAJQXEKU-BGYRXZFFSA-N 406.486 1.792 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nccs1 1303847685 FHNNMTPZEBYYMU-DYVFJYSZSA-N 423.568 1.718 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nccnc2C)n1 1304753354 BKFQYPRBEKCHMH-HXUWFJFHSA-N 409.473 1.923 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1305176551 SPSWOPKBLYNCNL-MUXVIGPSSA-N 414.510 1.791 30 10 HDEE Cn1nnnc1C1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1308050238 MWOVKCMFRRYAFI-UHFFFAOYSA-N 406.412 1.576 30 10 HDEE COC(=O)c1cccc2c1OCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 1308125595 IBLPZQMWBGUNKF-LJQANCHMSA-N 414.506 1.360 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1308138725 XXAZHSXENYRCTL-CQSZACIVSA-N 404.492 1.143 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(-c4ccco4)cc3F)C2)c(=O)nc1O 1312637553 TYVSKZDYOJKYEI-UHFFFAOYSA-N 409.377 1.986 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCc3nccn3C2)CCOC1 1314084695 NZDKVBDPHOBATC-XGHQBKJUSA-N 413.526 1.985 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1314948941 FCQSNYPDJZGISP-CRAIPNDOSA-N 412.494 1.441 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC[C@@H]2CCOC2)cc1 1316533917 IKGNPXSVCXGZOS-QGZVFWFLSA-N 424.505 1.857 30 10 HDEE C#CCN(C(=O)CCN(C)CCC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358761245 DJGYXERJOZCZCY-JRHPMUGDSA-N 401.551 1.595 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1358947057 QEWPVZVKVJVCBV-HOTGVXAUSA-N 402.449 1.880 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1358947884 MWIOYJVTDYVCIF-HNNXBMFYSA-N 423.564 1.590 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCNS(=O)(=O)CC 1358972780 SKCAVJAIUACAQU-UHFFFAOYSA-N 411.487 1.703 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCOC(C)(C)C2)CC1 1359034877 FOCTWHKLMUKLNI-IBGZPJMESA-N 416.570 1.386 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCNC(C)=O)CC1 1359035798 DVWSLVPLPHCZSJ-HXUWFJFHSA-N 424.505 1.072 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC2(O)CCC2)CC1 1359046575 XMMPMVKQANJLPQ-UHFFFAOYSA-N 422.533 1.535 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1359229773 UTKXQAQUKVNGBC-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccc(Cl)cc3)CC2=O)cn1 1435829023 YWTTZUPMBVOQNA-YOEHRIQHSA-N 401.854 1.917 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)CC1 1448356221 PKLKKLOJTGNQEI-SFHVURJKSA-N 414.506 1.505 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)C[C@@H](OCC)C2(C)C)s1 1448866897 UETZTIBPGKVFJU-RDTXWAMCSA-N 416.565 1.437 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CC1 1455114999 KAKPZUPTFKNXOH-UHFFFAOYSA-N 422.507 1.098 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)C3(C#N)CCSCC3)cc2)CC1 1456191220 KWAXYMFAKAVYKF-UHFFFAOYSA-N 402.520 1.957 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1459212759 VTRLLLKSQNJRLB-UHFFFAOYSA-N 418.519 1.718 30 10 HDEE CCOC(=O)c1ccc2c(c1)nc(CN1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)n2CC 1460826746 CDEGXAXTSITOGS-YWZLYKJASA-N 416.503 1.603 30 10 HDEE CC(C)(C)N1CC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1461158312 ABJMVCQMDJQQDZ-HZPDHXFCSA-N 411.462 1.279 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1462271445 KLISONMGIIPNOG-UHFFFAOYSA-N 423.491 1.011 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1464952021 JCAILZXJNUSHCB-TWGQIWQCSA-N 411.481 1.917 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1467456951 ZANWOMSECGSBDL-DAXSKMNVSA-N 418.437 1.926 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)c(=O)nc1O 1469994801 HSBXNGCJZAIISM-OLZOCXBDSA-N 405.361 1.277 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1F 1470631139 FEKBBRNLUBSTRC-UHFFFAOYSA-N 402.451 1.568 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1471851910 NNFNIOOFYVVXNY-RBZFPXEDSA-N 414.466 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](CO)C1 1473787689 SNWIHAMBILQWFJ-MRXNPFEDSA-N 413.474 1.200 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCC(n2nncc2I)CC1 1478493848 NULUQGSALYOTMB-JTQLQIEISA-N 405.240 1.430 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@@H](O)COc1ccc3c(c1)CCC(=O)N3)C2 1479158451 HVOGMTBHFYWYIR-RBUKOAKNSA-N 420.469 1.649 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1503799984 MXKHZQRTEIGDIE-QGZVFWFLSA-N 418.505 1.848 30 10 HDEE COCC[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504787430 VBHOTBIKJNGYHC-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1507523807 PUUFJVMJGROEON-GXZWQRSESA-N 400.479 1.960 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1 1507547229 UWQOWRJBVOQQLO-KRWDZBQOSA-N 411.506 1.736 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507554357 QPIOJJAGUMCYRP-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1507582169 ZLNMQGXNOKNIIT-UHFFFAOYSA-N 419.537 1.946 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507793533 AZYGWEZTFDDDHY-CZGNIMDHSA-N 416.570 1.557 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507953162 CYGMTOFIIFQXGQ-LSDHHAIUSA-N 416.569 1.160 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1509948642 BKGWTLMMMNXWRG-CVEARBPZSA-N 417.539 1.816 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1511968492 GEDGEBRCLPFUGU-OAHLLOKOSA-N 405.466 1.165 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512520718 XKTCUNNTYLKQST-NCXUSEDFSA-N 418.542 1.400 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(C)=O 1513026882 JJXIMOMDMHDDBW-INIZCTEOSA-N 410.526 1.911 30 10 HDEE CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1513466958 LAGUMZUMRDCLQE-OAHLLOKOSA-N 406.450 1.695 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2ccccc2S(=O)(=O)C(F)F)c1 1517117631 QTMYAWRZSJRRLO-UHFFFAOYSA-N 406.410 1.962 30 10 HDEE Cn1nncc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1517426318 AMINKTIWIKPGFR-INIZCTEOSA-N 414.857 1.416 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1517472293 AOYLFQRVFLYDDJ-IIBYNOLFSA-N 407.478 1.058 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(CS(=O)(=O)C(F)F)cc2)CC1 1525698403 BLOVNNKSXRCXLX-UHFFFAOYSA-N 400.403 1.743 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)c2C#N)C1 1529938309 JACUQUDPSPYWSV-XYYAHUGASA-N 407.517 1.819 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)CC2)c1 1530808354 HMBDHAULHZLXHG-BGYRXZFFSA-N 408.502 1.814 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 1531180859 HIBWRKKCKUPSIG-AWEZNQCLSA-N 406.504 1.814 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C 1532461040 IHZIMYZLRFCRAJ-UHFFFAOYSA-N 412.372 1.608 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1539030959 VGEJRWAVTZORCS-QGZVFWFLSA-N 419.551 1.823 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(Cl)ccc1OC)[C@H]1CCS(=O)(=O)C1 1539206037 MAGAOOGEKRMXKP-INIZCTEOSA-N 408.911 1.924 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1539221927 SQCGSGOMSKEBPO-CABCVRRESA-N 412.581 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1COCCO1 1539319758 FMRJQBRRCJBTDD-SFHVURJKSA-N 408.458 1.595 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1539347141 OWTHBBUMOVZHMI-UHFFFAOYSA-N 400.302 1.540 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccsc1 1539392745 WNBPXBKRLRXOIX-FQEVSTJZSA-N 417.535 1.569 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)C(=O)NC 1539596880 QIXOCRUMWNRQHV-YPMHNXCESA-N 400.321 1.899 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1539668148 UGKDSDPVPPTOQW-LJQANCHMSA-N 417.602 1.905 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539997712 SCDFUUXCIVEOOJ-UHFFFAOYSA-N 421.509 1.465 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCCNc2ccc(C#N)cn2)C1 1540697952 WDDMOHSIVYLRQX-HXUWFJFHSA-N 419.457 1.457 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](C)N2CCOCC2)CCOC1 1541104855 BKQDSUUQDGSBFV-LQWHRVPQSA-N 420.558 1.635 30 10 HDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1552724592 HPCUREKLPYQWDE-LJQANCHMSA-N 423.521 1.806 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1554139691 NAGWZQZLNUJMLU-JQIJEIRASA-N 421.383 1.865 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1554596921 CCQKUAZGGRNODN-AWEZNQCLSA-N 418.523 1.370 30 10 HDEE C=CCOC[C@H](NC(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O)C(=O)OC 1556375487 KNAIPHYMYCHDNF-LBPRGKRZSA-N 414.336 1.901 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1 1565630343 XWEDIROQMMHKRQ-UFVMTTLYSA-N 400.454 1.823 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1569417087 GEKHPLUMWGMVTM-GFCCVEGCSA-N 405.480 1.775 30 10 HDEE C=CCc1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2O)cc(OC)c1OC 1583798420 QPNCWCKYQDENDT-UHFFFAOYSA-N 406.460 1.715 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1585466842 BEBIWGCNNDBWNM-OAHLLOKOSA-N 404.492 1.251 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1587406629 NHNSMQBTVFFSNF-SJORKVTESA-N 407.492 1.730 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1587765432 GQKIADNBJYUNLG-KRWDZBQOSA-N 421.567 1.795 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1588385234 GOZKBFMXCLCYLN-AWEZNQCLSA-N 406.483 1.836 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1588975549 HETKVVRYIORCJZ-MRXNPFEDSA-N 414.535 1.835 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595523090 PHQBGVFFTIIXKK-UHFFFAOYSA-N 424.427 1.934 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@]2(CCOC2)C1 1595561884 FZJTZELJXOJUSZ-IBGZPJMESA-N 403.508 1.228 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)Cc2cccc(C#N)c2)C1 1597576966 PAOCCBGUWOPIAG-KRWDZBQOSA-N 421.519 1.641 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)C2)c(=O)nc1O 1607497067 AVCQAQXCUBJRLK-UHFFFAOYSA-N 410.821 1.416 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)C(C)C)CCOC1 1610334863 FPZNVUWIWPHNIF-OXJNMPFZSA-N 406.531 1.829 30 10 HDEE Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)o1 1612060300 GSZDSDIARXHWNM-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE CCCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1614505901 JKCCLHCOAUGIGY-BZSNNMDCSA-N 406.531 1.463 30 10 HDEE CCOCc1nnc(N2C[C@H](C)S[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1616736422 JTSCRRNEGGGZSO-BDIVNLMLSA-N 420.539 1.671 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1ccnc1C 1616826604 VGYUMBUVEKRTME-UHFFFAOYSA-N 422.493 1.945 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1618829133 DZBTUQUHDPNLPZ-UHFFFAOYSA-N 419.493 1.368 30 10 HDEE COC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1619694532 IESDBLPAQAPYQY-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CCC1(Cn2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)nn2)COC1 1624576835 CIWIHAAAJHELGY-LJQANCHMSA-N 412.469 1.866 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(C)(=O)=O)CC1 1625117441 MHFMRPVTUNWBIM-OAHLLOKOSA-N 403.545 1.776 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655988 PNTGRPJACBKIOB-YWZLYKJASA-N 404.488 1.581 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 1630585966 ZXGNRXGUWGURPZ-ILXRZTDVSA-N 401.529 1.127 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1630988755 CMUYFQLUSUBTIO-GUDVDZBRSA-N 417.531 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCC(=O)NC1=O 1631007208 DWHYVVXEXLLQLP-NVXWUHKLSA-N 412.446 1.314 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(C#N)c(OC)c3)C2)cc1 1631995266 ORUXHMTXRPZNJD-UHFFFAOYSA-N 401.444 1.378 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nnc(O)o3)C2)cc1 1633715990 UTGZZQGWNPGIFZ-CQSZACIVSA-N 404.448 1.872 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)N3CCC(Nc4ccccc4C#N)CC3)nc21 1634240685 REBKEERQZKAOAX-UHFFFAOYSA-N 405.462 1.976 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(Cn4cncn4)CC3)C2=O)cc1 1634647616 XBTORTLILKOKDG-SFHVURJKSA-N 421.461 1.294 30 10 HDEE CN(CCc1ccc2c(c1)OCO2)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1634921037 QNNLZRVKIIZNRI-UHFFFAOYSA-N 415.471 1.545 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1635079540 UTFJDRYEDCBHJQ-OAGGEKHMSA-N 415.556 1.517 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCC4(CC3)CC(=O)C=CO4)=NO2)C1 1636304396 MWSDYKOSWMDZLE-UHFFFAOYSA-N 405.451 1.617 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)c1 1636336381 LPMQFKJQWGOSFS-YWZLYKJASA-N 417.487 1.076 30 10 HDEE CC1(Nc2nc(CC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)CCCC1 1636512814 SFMYBGLWQOJHPQ-SCLBCKFNSA-N 408.549 1.827 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CC1 1636661003 WNFLMCSNJYGXDG-GOSISDBHSA-N 400.475 1.685 30 10 HDEE CC1(C)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O 1636701803 RRYBFWDSKXSYBN-OFJJUDJNSA-N 416.503 1.523 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1636838965 PIXFIAIRLPSHRC-CVEARBPZSA-N 408.296 1.624 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N(C)OC 1636975034 SUKUGCKENKZLJL-KBPBESRZSA-N 401.529 1.551 30 10 HDEE CC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCC2(CC1)OCCO2 1639904957 RWUGSRSTIWDMJT-UHFFFAOYSA-N 421.519 1.555 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)cc1 1640057775 FOCOGBUSEWKTTE-UHFFFAOYSA-N 401.444 1.595 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1641397166 HMTNINJUVSBCJW-UHFFFAOYSA-N 406.489 1.476 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)Nc1n[nH]c(C)c1C#N 1641601171 RQDMGAABAOPQJG-UHFFFAOYSA-N 404.496 1.381 30 10 HDEE O=C(N[C@@H]1CCN(CC(F)F)C1)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1643011945 OLFOGSHSGSCHAM-SSDOTTSWSA-N 406.302 1.901 30 10 HDEE COC(=O)CCN1CCC[C@H](N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1644922469 XHADQJCWMWAOEK-IBGZPJMESA-N 412.490 1.763 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CC2(C1)OCCO2 1651533793 HQTBEJQFHZULST-INIZCTEOSA-N 421.519 1.409 30 10 HDEE NS(=O)(=O)c1cc(C(=O)NCC#C[C@@H]2CCCCO2)sc1Br 1653544961 UILSLVFJVVHRJQ-VIFPVBQESA-N 407.311 1.460 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1655897064 ABUUABZRIVTSHR-MRXNPFEDSA-N 414.549 1.222 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)o1 1659322132 KUQOOFLXWBQGFI-LJQANCHMSA-N 408.462 1.040 30 10 HDEE C#CCn1cc(CNS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 1664952689 IGIUCSGAXACHBJ-IBGZPJMESA-N 416.503 1.737 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)cc1 1667322745 XAVTYZNVOUNREE-MRXNPFEDSA-N 423.539 1.761 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 1671459695 VPCWVDDRXFMWJW-SNVBAGLBSA-N 405.270 1.205 30 10 HDEE C#CCN1CCC(NC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)CC1 1675111705 KYLMRKQPRJHGHS-UHFFFAOYSA-N 413.566 1.604 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1681350528 SVGUCSRCNXKFEY-KURKYZTESA-N 405.495 1.720 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@H](C(F)(F)F)O3)CC2)c1C#N 1685146295 WDKWZMXZLWKHIR-TZMCWYRMSA-N 400.405 1.542 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 1685176897 GBVICBVOJWSPCM-CQSZACIVSA-N 405.480 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1689850843 IEMFGIQXXMIHCN-UONOGXRCSA-N 419.482 1.416 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1689860871 JLPUCJGMPDOHRL-CQSZACIVSA-N 403.508 1.269 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1690131412 YUWYSCVIBIBLAO-UHFFFAOYSA-N 418.549 1.878 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690484737 CHNUGLQABQDYER-KBPBESRZSA-N 404.558 1.016 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1690636013 APFJRDHFTXTOSJ-UHFFFAOYSA-N 424.505 1.411 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(CCOC)c2)C1 1690693482 BNYMSYKKQQIQMI-GOSISDBHSA-N 412.498 1.351 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1696045668 GFLRNAZGTXDIHS-IIBYNOLFSA-N 416.526 1.585 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CCCNS(C)(=O)=O 1696676824 SIVURYIVUFMSTG-UHFFFAOYSA-N 402.524 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1705489100 ZFVMPMLIPPPUDT-OAHLLOKOSA-N 405.524 1.739 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705531917 ANTWLMLIRBHWNS-IBGZPJMESA-N 417.554 1.955 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1705630563 XUCZAPSGAUHGEJ-GOSISDBHSA-N 408.568 1.922 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCCC(C)C)CC1 1705631958 FGDDDVDMKGUZOJ-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2nncn2CC)CC1 1705641378 CLBXRZTXEVPLEA-UHFFFAOYSA-N 420.521 1.315 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(C)CCCO2)CC1 1705648608 ZMHHQNQUOLRIEK-OAQYLSRUSA-N 409.494 1.270 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705665317 QEJASMDFIQBRQV-HXUWFJFHSA-N 421.567 1.354 30 10 HDEE C#CCSCCn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705665384 SFRZXWBLJLUVET-PXNSSMCTSA-N 407.584 1.827 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1705734267 JJVHOBXDAHKQHL-UHFFFAOYSA-N 401.515 1.728 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705771210 LHONAQPYDXJLDD-IBGZPJMESA-N 415.586 1.583 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705907978 DIAMSGZYTOYHNM-XGHQBKJUSA-N 419.526 1.238 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705945287 HCIXCTLEXKGSOK-CABCVRRESA-N 406.512 1.971 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCCNC2=O)CC1 1706201859 BDFBTYOMZFSWOC-UHFFFAOYSA-N 423.521 1.972 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1706634016 HSXDYNLGGUSPSS-CYBMUJFWSA-N 401.471 1.659 30 10 HDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712130252 HBFYYVKEHRZFLL-OAHLLOKOSA-N 418.523 1.181 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCN1CCc2ccccc2C1 1722356959 NONMTLDAQCLFJV-UHFFFAOYSA-N 406.534 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1F 1722419204 RRMGADFTZMDCMU-UHFFFAOYSA-N 403.458 1.698 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722453726 AHFZDOFOTGUKCJ-MRXNPFEDSA-N 412.519 1.534 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1722691611 SATIWHJPXBLKQL-CABCVRRESA-N 416.530 1.668 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722696927 UXRIXKRLRUCQLT-QFIPXVFZSA-N 424.480 1.823 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1723773667 HKYZKFTXUZBSBA-HNNXBMFYSA-N 422.497 1.528 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1723778414 ALEZLRLVFXLDEP-OAHLLOKOSA-N 403.512 1.038 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncn(C)n2)cc1 1724461178 HEVLEBGRPGWOMU-HNNXBMFYSA-N 410.507 1.784 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOC2=O)cs1 1725408001 AXVPKAQHEPGBIS-OAHLLOKOSA-N 417.495 1.205 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1729298079 WUFNXPSBBBZYQL-OALUTQOASA-N 424.505 1.651 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1730473257 XXHYAPHQSWDOKB-WIYYLYMNSA-N 413.478 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1 1740531399 KYZIKICBMJFRRM-MRXNPFEDSA-N 411.510 1.230 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1740593577 JVDLYWAWNHEMHM-UHFFFAOYSA-N 414.535 1.801 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1Cc1ncn(C)n1 1740644097 SMEIWJFWYJDONS-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740660938 JUSPNYAMTFTWFP-IAGOWNOFSA-N 404.559 1.764 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(F)c2)CC1 1740695193 IPYWUUVAWPNUNS-UHFFFAOYSA-N 409.469 1.652 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)NC 1740733401 BZYPCMMTSNLFAT-HXUWFJFHSA-N 417.535 1.441 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCNS(C)(=O)=O)C1 1740976972 BDWMELWGOSMBNM-CQSZACIVSA-N 409.487 1.415 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1743356320 UJBAPXRVTHNYKB-OAHLLOKOSA-N 406.446 1.951 30 10 HDEE CCNC(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)c1 1746503892 DCSFTFICSNAONV-LJQANCHMSA-N 417.473 1.867 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748763902 CIETWMQJIPBDAW-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1748805785 WFNXGTXLNASMLJ-KRWDZBQOSA-N 417.535 1.834 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749109494 NTUPOBWVLVEPPV-KRWDZBQOSA-N 423.315 1.026 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749427359 QFCFEZYUAHRYJV-HOTGVXAUSA-N 414.514 1.670 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1749709200 OGEVLCKXIIAZQU-ZWKOTPCHSA-N 417.514 1.475 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCS(=O)(=O)N2CCSCC2)C1 1749714136 GGIDXNHUNZSGCG-HNNXBMFYSA-N 415.585 1.000 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]2CCC[C@@H]21 1749721256 FCBQPOPKNQBBGU-SJORKVTESA-N 421.567 1.884 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC1(C)C 1749721425 JMCVPZIVVWRSKA-UHFFFAOYSA-N 418.523 1.905 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1749723974 FBWHCURGXYMEOE-IBGZPJMESA-N 414.466 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749730944 WOORPBQVXPUXKB-HOCLYGCPSA-N 418.523 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CCCO)CC1 1749741323 XMUIYACQLJUWSV-QGZVFWFLSA-N 412.556 1.719 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749774349 UCQADHLNASPZNT-WCRBZPEASA-N 424.549 1.992 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CCC(C#N)CC2)C1 1750208691 HLPKHECUQQFCSZ-INIZCTEOSA-N 415.523 1.362 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCCC2=O)CCO1 1750385969 FDZGOOYYLFHVEA-MSOLQXFVSA-N 416.526 1.694 30 10 HDEE CC1(C)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNS(C)(=O)=O)C[C@H]21 1751284088 DRRAXUUUYZNWCI-CALCHBBNSA-N 414.535 1.848 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1760100877 ZMJAZMPOITVKJJ-XMSQKQJNSA-N 419.570 1.623 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1760188141 ILCMIQUIJMOGTB-MRXNPFEDSA-N 405.524 1.717 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCN1c2ccccc2C[C@@H]1C 1760242455 DCPVMZWVJQXCLP-SFHVURJKSA-N 424.549 1.954 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(SC)CC2)CC1 1760251899 KWQDEXUTXROHEJ-UHFFFAOYSA-N 404.584 1.847 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760257763 IQMGOJYLIUYKFK-KRWDZBQOSA-N 414.535 1.063 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)CC1 1760389548 MXLRGBRELXTUAZ-QGZVFWFLSA-N 404.540 1.703 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1760456058 GHMKHIMJBAEALU-ZIAGYGMSSA-N 412.585 1.875 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760513697 XJQRURYCUKGIJR-UHFFFAOYSA-N 421.486 1.991 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)C)C1 1760547680 PFRLNYQJSDRXMF-MRXNPFEDSA-N 415.494 1.735 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760552791 ATFSRRHLKXKVJY-QGZVFWFLSA-N 417.535 1.508 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCO1 1763177097 ARHVHBANMKCKQT-MRXNPFEDSA-N 401.467 1.353 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc(C)s1 1764992109 CCZGKEUJDIFSDA-HNNXBMFYSA-N 408.491 1.740 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@@H]1C 1769086061 NPMNKCSMVJHTOI-WMLDXEAASA-N 418.523 1.227 30 10 HDEE COCC1=CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1770858958 SBSSZQCGIQYBPY-ZDUSSCGKSA-N 420.495 1.184 30 10 HDEE CC(=O)N1CC[C@@](NC(=O)OC(C)(C)C)(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789022 MFYMDWNOAUZIAA-FQEVSTJZSA-N 417.418 1.257 30 10 HDEE C=CCN(C(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)ccc1=O)[C@@H]1CCN(C)C1=O 1849757321 HIONPGKHHLWYJA-HNAYVOBHSA-N 410.474 1.725 30 10 HDEE C=CCN(C(=O)CN(C)c1ncc2c(n1)-c1ccccc1OC2)[C@@H]1CCN(C)C1=O 1851403015 RIZGMBUJPBUXFT-QGZVFWFLSA-N 407.474 1.718 30 10 HDEE N#Cc1ccc(C(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1F 1851589951 LNNCALOOCHTXLX-IEBWSBKVSA-N 407.401 1.866 30 10 HDEE Cn1ccnc(N2CCC[C@@H](NC(=O)c3cn4cc(C#N)cc(Cl)c4n3)C2)c1=O 1851603972 SMUFQCPCLIZUMM-CYBMUJFWSA-N 411.853 1.352 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cc(C(F)(F)F)n(C)n3)c(C#N)cc2C#N)CC1 1851871938 WTFKYTIIPVHWOK-UHFFFAOYSA-N 418.383 1.581 30 10 HDEE O=C(CN1C(=O)COc2ccccc21)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852094255 MAVOWHXECVXOMC-UHFFFAOYSA-N 419.381 1.673 30 10 HDEE COc1cccc(-c2noc(CN3CCN(c4nccc(C#N)n4)CC3)n2)c1OC 1852373465 JOAMIXIOYMNYRQ-UHFFFAOYSA-N 407.434 1.738 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)cc1 1852809190 YTBPYKLYVUOQEF-OAHLLOKOSA-N 422.489 1.634 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)s1 1853607356 BUUDZPBZZKVFDY-KGLIPLIRSA-N 402.520 1.826 30 10 HDEE CN1C[C@H](C(=O)N2CCC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)CC1=O 1853814661 DEVNXBDPDOFLHZ-MJGOQNOKSA-N 408.502 1.540 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc2N1[C@H](C)CCC#N 1854188383 YNDQGFQIGZQHRN-CABCVRRESA-N 418.519 1.728 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2snnc2CCC)C1=O 1854262072 GKKGYWSYALZOPX-CVEARBPZSA-N 419.551 1.731 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3cnc(C4CC4)cc3=O)C(=O)C2)c(F)c1 1854336893 COOBGKBRDYLHMZ-UHFFFAOYSA-N 409.421 1.002 30 10 HDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c(C)c1C 1854418505 GBXHYXGGZOWUPI-UHFFFAOYSA-N 404.492 1.457 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(Br)cc2F)CCN1S(=O)(=O)CC#N 1854872306 GYSNRSHJBFWKNR-SECBINFHSA-N 418.244 1.114 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855042019 RFEWACFWTBWUTJ-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccnc4nccnc34)C(=O)C2)C1 1855045210 CLQJFTXMXLAXAI-HZPDHXFCSA-N 407.478 1.076 30 10 HDEE CC(C)(C)c1cc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)nc2ncnn12 1855839323 ACABDDIWIPXDBT-OAHLLOKOSA-N 409.494 1.646 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1856725050 FNPGDXVJTCZSGW-PMACEKPBSA-N 408.502 1.727 30 10 HDEE Cc1cnc(N(C)[C@H]2CCN([C@@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)C2)nc1 1857150836 QOKLBUOBIYOVQI-ZWKOTPCHSA-N 405.462 1.004 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CC1=O 1857217468 MSXKIJIGCXQFIA-INIZCTEOSA-N 403.504 1.704 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)C1 1857410835 DRWKVCZIWDNICJ-XMSQKQJNSA-N 414.481 1.368 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 1858978421 ZRKPPRIJAWPHQK-UHFFFAOYSA-N 402.476 1.157 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1 1859010188 PCDLKNFLERTJET-UHFFFAOYSA-N 400.456 1.636 30 10 HDEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCNC(C)=O)C1=O 1863431073 WWMHHZJXUWDVMK-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccc[nH]1 1874435929 DUTISUVYRVMOAT-FOKLQQMPSA-N 411.491 1.533 30 10 HDEE CC(C)N(CC#CCNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1)C(C)C 1889364678 YGFPEJJUZGFYPP-UHFFFAOYSA-N 405.520 1.741 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@@H]3C#CCN(C)C)C2)cc1 1890892795 BICGGPSIEHMJEL-PMACEKPBSA-N 417.575 1.952 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892332065 XSEIIFNIBHDSFS-INIZCTEOSA-N 413.503 1.457 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)nn1 2017700375 MIIVFPSCYPLBAK-NSHDSACASA-N 400.277 1.464 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CC(C#N)C2)C[C@@H]1C(F)(F)F 2174787209 ROHVJVMDESZLQS-RYUDHWBXSA-N 412.434 1.322 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243702886 TULXJJQHHONNKR-LSDHHAIUSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]2[C@@H]1CO 2247841852 XZNQPBQOVVDTFY-XHSDSOJGSA-N 420.315 1.307 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(CCN)Cc3ccccc3)c(O)cc2O)OC1(C)C 2248033361 RNBUSQYOOJRULZ-UHFFFAOYSA-N 412.295 1.998 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248060406 FKUVBQRJIGHRFY-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267376126 RAMZOAWVHPHJJY-APXPCNQMSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2C(=O)NCCCS(C)(=O)=O)OC1(C)C 2281809422 HKOJNRGFXJEKHU-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282031485 SOIOIWXXHNJXLF-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE COC[C@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282304614 MTVDYHABGIGHQA-MRXNPFEDSA-N 405.347 1.031 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](N)C(F)(F)C3)s2)OC1(C)C 2282330859 GNFHVTGAVONVHP-JTQLQIEISA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(C)CSCCO3)s2)OC1(C)C 2282331920 TZJVWYJYEUOCTE-INIZCTEOSA-N 419.399 1.848 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2282348010 GELURKHBOBLQRO-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE C[C@@H]1CNC[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492602 PNTZNFSWODQTGU-BXUZGUMPSA-N 400.737 1.525 30 10 HDEE CC(C)N1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282499723 RNJCVFCLDUKICD-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1([C@H](CO)NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282505311 BGVPZSRRROEDPV-ZDUSSCGKSA-N 401.359 1.628 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCS(=O)(=O)C(C)C 2282585401 LGWQEDCRHVPALC-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CO[C@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282624612 NAEPZVXZICMXKS-MNOVXSKESA-N 401.721 1.923 30 10 HDEE CN(C1CC(N)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828081 IILJUQFVQHBPGQ-UHFFFAOYSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](C(F)F)CC2=O)OC1(C)C 2282866282 GWFPMENTZOYEIF-VIFPVBQESA-N 407.269 1.850 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)Nc2cnns2)OC1(C)C 2282870203 OJCCNRTWZOTQHZ-UHFFFAOYSA-N 403.241 1.916 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCC2(N)CC2)OC1(C)C 2282880694 MFFDNFGUJCZQAO-UHFFFAOYSA-N 400.375 1.738 30 10 HDEE C[C@H](ONS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284406513 ZHZVVMCVYYTAOH-VIFPVBQESA-N 405.665 1.322 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccccn2)cc1OC 2326737728 ILXRQJIBUIUXRL-UHFFFAOYSA-N 412.475 1.741 30 10 HDEE Cc1csc(C#C[C@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n1 2363678193 TWDZDDAJXAOSFD-KBPBESRZSA-N 414.549 1.977 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365203013 QVZRUASNMDNUKV-CKFHNAJUSA-N 402.557 1.442 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367785260 DLMDOQUIENQMLK-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CC(C)CN(C(=O)COC(=O)COc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 8143075 YCRLAJXTTKAWNW-MRXNPFEDSA-N 408.476 1.152 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)NC(C)(C)C)CC2)cc1 14385527 OISSXPZBDNFDCG-UHFFFAOYSA-N 424.523 1.717 30 10 HDEE CN1CCC(NC(=O)c2ccc(I)cc2)(/C(N)=N/O)CC1 40371462 BMMPYDKNAFXXRM-UHFFFAOYSA-N 402.236 1.232 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc(F)cc3)n[nH]2)cn1 59886909 DPWFTUSVQUKIFV-UFWORHAWSA-N 418.458 1.964 30 10 HDEE Cc1c(C(=O)NCCN2CCOCC2)oc2c1/C(=N\NC(N)=S)CC(C)(C)C2 101109713 DTGFHVGVQMUEGH-XKZIYDEJSA-N 407.540 1.160 30 10 HDEE N#CCC(=O)Nc1ccccc1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 219624528 VZANHXUPUNXYJT-UHFFFAOYSA-N 407.342 1.682 30 10 HDEE C#CCN(C(=O)c1cccc(C)c1I)[C@H]1CCS(=O)(=O)C1 221947070 NMLZWVNOLNAZKX-LBPRGKRZSA-N 417.268 1.862 30 10 HDEE CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(Cn3ccccc3=O)cc2)CC1 303901619 XNFWXQBFFJUKSF-UHFFFAOYSA-N 411.506 1.922 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCN1CCO 427398783 ZQCGIIOTXHPRDR-QGZVFWFLSA-N 422.485 1.601 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 440223827 DJEBWYDTEIDQJM-LAQRGFTBSA-N 402.447 1.886 30 10 HDEE NC(=O)c1ccc(S(=O)(=O)N2CCN(CC#Cc3ccccc3Cl)CC2)o1 441174446 SDYOLKASJZZVMX-UHFFFAOYSA-N 407.879 1.390 30 10 HDEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N[C@H](C#N)c1ccc(F)cc1 442030432 LEZAKBHPSPBIIB-MRXNPFEDSA-N 405.397 1.385 30 10 HDEE COc1ccc(S(N)(=O)=O)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 443141429 ZLHPBNMBNKVZAH-UHFFFAOYSA-N 401.853 1.668 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 460568081 RXPTUDJRWHOLSC-UHFFFAOYSA-N 420.495 1.901 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cn1 461322788 NGFSIGDSCJWMKP-MRXNPFEDSA-N 400.398 1.596 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)s1 468184321 UWPPQQGTHGSZTR-OAHLLOKOSA-N 424.479 1.183 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](Cc2ccccc2OC)C(C)C)CC1 478395319 UUHDHYXOHSUALB-IBGZPJMESA-N 402.539 1.892 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCS(=O)(=O)c1ccc(C#N)cc1 478434612 XIOARNVOOXERBW-CYBMUJFWSA-N 405.501 1.431 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C4CC4)C3)CC2)cc1 485482598 TYHQNXZLQHUTGQ-IBGZPJMESA-N 403.504 1.596 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)N(C)[C@H](C)C1 506541328 LVQJEQKLSAGUEZ-LLVKDONJSA-N 410.268 1.787 30 10 HDEE COc1cnccc1N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C)CC1 508580429 YBGZJWAODSNHDW-UHFFFAOYSA-N 405.462 1.996 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccccc3Cn3cncn3)CC2)n1 508739353 JMUUIZICDNURQU-UHFFFAOYSA-N 402.462 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCCO3)CC1 522310381 OBYOTFCUZMYWJT-UHFFFAOYSA-N 416.522 1.365 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2CC(N)=O)CC1 538351087 XBWPDCPPWBPETN-MOPGFXCFSA-N 401.486 1.264 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 542153008 BKAWOTIFLHGEML-VLIAUNLRSA-N 403.483 1.289 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC=C 542220821 KWDOFQCOVAECCJ-UHFFFAOYSA-N 423.523 1.148 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc(OC)c(OC)c1OC 544594944 ZICYSMSVILBRQH-SNVBAGLBSA-N 403.395 1.552 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@@H](CC)C1 549247787 CONIQJMMZSVIBC-HOTGVXAUSA-N 414.576 1.011 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)c1 555093076 ZUXNLWDGOKVYNW-VQTJNVASSA-N 421.482 1.695 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(OC)ncn2)CC1 583334701 HVNUOHCGSBLLFN-UHFFFAOYSA-N 412.498 1.215 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)O[C@H](C)COC)cc21 586312427 GMPWFRADPXPIGW-QYSRSOONSA-N 409.460 1.108 30 10 HDEE C=C(C)CN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 592076542 DGNWNMMIWLBEDM-UHFFFAOYSA-N 423.583 1.584 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619741719 XJUUYSNKXRYHMB-UTKZUKDTSA-N 419.533 1.992 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4nnc(O)n4CC)CC3)cc2C1=O 677914991 UHDKMZPUSTZPNP-UHFFFAOYSA-N 409.446 1.805 30 10 HDEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1 703978550 BXZKVPPZMJWARX-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 729808639 DMMWFBNBNCCTMX-QGZVFWFLSA-N 419.547 1.792 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730709259 QONREZZYPMYUFP-CQSZACIVSA-N 412.475 1.491 30 10 HDEE COc1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC(C)C 732446003 GLXBSDKVMWSRPB-HNENSFHCSA-N 402.451 1.808 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1nn(-c2ccccc2)c2c1CCC2 732447188 BDNQBFYRRJBJGS-QZQOTICOSA-N 420.473 1.687 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732648766 ZKJNBRUUEJCSFG-MRXNPFEDSA-N 420.535 1.538 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CCN1C1CC1 732650039 YAHIZMVUPYKSFO-SFHVURJKSA-N 415.453 1.690 30 10 HDEE COCc1nc(OC)c2c(C)c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)sc2n1 732664572 LQBZPFHIOFYUPZ-CYBMUJFWSA-N 401.492 1.967 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CCN1C1CC1 732706010 BEEYFOCUEYDFSV-CQSZACIVSA-N 424.242 1.428 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCSc2ccccc21 741339447 GLZGJFPGTQWTQC-UNQMGURYSA-N 415.471 1.974 30 10 HDEE CC[S@@](=O)CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 741425457 SBUNUOZTMWIFBS-IBOHTEHESA-N 400.526 1.390 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CSCC(=O)N2CCOCC2)CC1 742193281 FYPGHFGQKOOIOM-UHFFFAOYSA-N 402.520 1.235 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)cc1C#N 747494702 CXUMKIVBTKENHO-UHFFFAOYSA-N 419.434 1.505 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750422364 XOKOSVJQVGZXSQ-UHFFFAOYSA-N 407.228 1.344 30 10 HDEE CC(C)[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1 750429789 FWRZMWBRRKYLHW-FQEVSTJZSA-N 407.474 1.807 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1 753742755 ILEJGBAJGOQUDE-SREVYHEPSA-N 407.492 1.409 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 756545883 WXHZGRQLQVQYIY-OPAMFIHVSA-N 413.474 1.411 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758750500 FYQRINYAPJJOAD-CVEARBPZSA-N 417.514 1.006 30 10 HDEE COc1ccccc1CS(=O)(=O)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 760364404 XLHGPXICMHGXNO-UHFFFAOYSA-N 403.460 1.863 30 10 HDEE Cc1nccn1-c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cn1 760653942 AFPRPACISAPIFZ-UHFFFAOYSA-N 402.462 1.874 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ncccc2C#N)CC1 767488823 AKLFTYPCNLJDTR-MRXNPFEDSA-N 403.483 1.532 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774194843 XOQMHHHOUSZXOI-SFHVURJKSA-N 407.536 1.001 30 10 HDEE CCCCCCCCCNC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 785498316 GJYXBYZRUGSDPV-UHFFFAOYSA-N 408.587 1.866 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(=O)n4ccccc4nc3n2C)n1 790104573 RBCIVSUSLWQNJZ-UHFFFAOYSA-N 418.457 1.305 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3c(c(O)nn3C)c2C)n1 790108960 KJPADRMVQWXAJV-UHFFFAOYSA-N 424.505 1.728 30 10 HDEE C[C@H](CC(=O)NCc1ccnc(OC(F)F)c1)/N=C1/NS(=O)(=O)c2ccccc21 791317898 MXWVCAPCZFGWHS-LLVKDONJSA-N 424.429 1.817 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)N3CCN(c4cnccn4)CC3)CC2)c1 803924025 IDGFAFZCJAIRFA-UHFFFAOYSA-N 409.421 1.411 30 10 HDEE N#Cc1ncccc1COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 813309036 QSXHLGYMNBAPSR-UHFFFAOYSA-N 421.862 1.985 30 10 HDEE CCOC(=O)C1=C(c2ccc(OC)cc2)[C@H](C#N)C(=N)N[C@@H]1[C@@H](C#N)C(=O)OCC 1088645985 PYNCGHKUHCCZMK-HDMKZQKVSA-N 410.430 1.804 30 10 HDEE CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1125948369 LESHHNLYTCQSRP-FQEVSTJZSA-N 405.520 1.886 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(CC)CC)c1 1135844226 RGXMHEVXYCKSGQ-QGZVFWFLSA-N 408.545 1.867 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN4C(=O)N(CC)C(=O)[C@H]4C3)n[nH]2)c1C 1149233413 MWJACSSHYPXAOO-MRXNPFEDSA-N 411.466 1.185 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCO1 1174993772 MSOQTCUHQQFWHA-XMSQKQJNSA-N 420.506 1.551 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2coc3c2C(=O)NCCC3)c(=O)c1C#N 1183324064 BFCKYKYWXGEECG-UHFFFAOYSA-N 419.235 1.752 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cc1 1184384141 RDKYMXPIFIAPEW-IBGZPJMESA-N 410.455 1.308 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H]2CCN(c3sccc3C#N)C2=O)CCO1 1196553291 BWBFPYWFRGOKMF-MGPUTAFESA-N 421.519 1.784 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1210300329 AFCQPXRQTLBRRP-GFCCVEGCSA-N 422.326 1.023 30 10 HDEE C#C[C@H](NS(=O)(=O)N(CCC#N)CCOC)c1ccc(Br)cc1 1211982713 YYKBTZCVPZFQEB-HNNXBMFYSA-N 400.298 1.820 30 10 HDEE C#CCOc1ccccc1CNC(=O)Nc1cccc(S(=O)(=O)NCCOC)c1 1219663457 ZJIKKIMTWYXYKS-UHFFFAOYSA-N 417.487 1.945 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3c(F)cc(C#N)cc3F)c2)NC(=O)NC1=O 1252867983 BCULMVBSJUJSIH-GOSISDBHSA-N 420.397 1.370 30 10 HDEE Cc1nn(C)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1C#N 1278721603 GEMOLAJPTCVNNJ-CYBMUJFWSA-N 405.455 1.779 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1286294797 XKGMSQYDOQYWEH-WMLDXEAASA-N 408.462 1.692 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286346988 FLVBXJDWKYXLOS-SJORKVTESA-N 414.510 1.700 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CCC(N)=O)CC1 1286357816 BEVGSKMYMSVWGQ-HKUYNNGSSA-N 403.527 1.897 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286384626 JCRQUGVYWXPNCE-RZQQEMMASA-N 408.568 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC(=O)NCc1ccco1 1286410208 YPIAVRPEHZCTQK-UHFFFAOYSA-N 405.433 1.990 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1286467939 XOFLTLYERRNQCD-LJQANCHMSA-N 411.506 1.666 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(N)=O)CC1 1286564650 YHWUADXZDKDZEH-VQIMIIECSA-N 411.510 1.808 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCOC1 1286603753 JXGASZGDHOZWMJ-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1286738476 ZJYOJKGGUFAYSD-LJQANCHMSA-N 424.553 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](OCCOC)C1 1286786976 NJYWQDWYHPHLRL-INIZCTEOSA-N 424.505 1.970 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@H](C(C)C)C1 1286818166 CMLGSOPCDGZXAZ-INIZCTEOSA-N 422.580 1.914 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1Cl 1288168782 AREGKVFBROIOPX-CYBMUJFWSA-N 419.873 1.272 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1288515291 YCTXPAJUSCUYNR-CQSZACIVSA-N 401.496 1.494 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C(C)(C)c1ccc(C#N)cc1 1288699119 FZOFHSSJGJDWKB-UHFFFAOYSA-N 406.486 1.727 30 10 HDEE Cc1ccc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1S(=O)(=O)NCC#N 1297167577 MIBLGWSTZNWCRF-UHFFFAOYSA-N 410.455 1.568 30 10 HDEE CN(C)[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1298043056 DPKXYYRZTZFXPJ-VHSSKADRSA-N 407.519 1.108 30 10 HDEE C[C@H](CC(=O)NCC1(Br)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1299010825 KVGAKXGQUMRFIR-SNVBAGLBSA-N 400.298 1.547 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1300309305 GPFFZBFNCPYUAQ-HUUCEWRRSA-N 415.585 1.212 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300407799 DHKCFWYMTDGNBO-IAGOWNOFSA-N 414.510 1.352 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1ccnn1 1300432984 UNZGQTJYVUTSOT-UHFFFAOYSA-N 412.885 1.613 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1300631096 LFUKVTIVLCFDMY-DYESRHJHSA-N 414.531 1.474 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(C)n1 1300648166 LKCDNFIMPPSVIR-LJQANCHMSA-N 421.480 1.984 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1300843248 FHSGWQUDSNXXDC-STQMWFEESA-N 414.304 1.032 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300948767 ADLCMAGWZCOFDO-GJZGRUSLSA-N 407.482 1.182 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300989458 ONNFJXDHCPXPDH-RBUKOAKNSA-N 405.543 1.676 30 10 HDEE COC[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N)OC 1301011364 CCIKVHGBTPQDHM-ZIAGYGMSSA-N 411.466 1.994 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)[C@H](O)c3ccc(C#N)cc3)CCO2)cc1 1301368325 AFRRGWVNRSKBIU-RTBURBONSA-N 400.456 1.595 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1301502354 GCRVFKIVBVYWRN-OAHLLOKOSA-N 417.897 1.824 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1302898482 HJSKAKFATAEDMV-FCEWJHQRSA-N 413.478 1.758 30 10 HDEE CC[C@H](C)c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305448637 IQDLEDQBKBSKKG-HMWBCQRISA-N 402.499 1.527 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-n2nc(C)cc2C)CC1 1310057559 NTOSOCDIXKUAGU-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1315163556 BLBPLLBYQXLNGD-AWEZNQCLSA-N 407.496 1.244 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N(C)C)CCOCC1 1316269696 MEDQIDOJYGEJBL-BZSNNMDCSA-N 420.558 1.709 30 10 HDEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1Cl 1353561390 LEJNCEAOXAMWSF-RDJZCZTQSA-N 417.874 1.847 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1358924573 BASNDGDOFWBEFL-SFHVURJKSA-N 411.462 1.081 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCS(C)(=O)=O 1358998204 VNXOABHJPSUOHQ-UHFFFAOYSA-N 400.504 1.673 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1358999858 FQSMRNMLYLMODR-INIZCTEOSA-N 424.571 1.141 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1359048356 NQUJMLNWBPLKAK-UHFFFAOYSA-N 406.556 1.231 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N1CCOCC1 1359106637 LPJJHLTWYMQMIL-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359187737 VPOPJZFNNJNPAK-JKSUJKDBSA-N 404.515 1.173 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1359238665 SJMDAGSRYRPFCR-UHFFFAOYSA-N 415.542 1.656 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359292059 HJGJXJRJVBVQHL-HNNXBMFYSA-N 424.505 1.826 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCOC)[C@H](CC)C1 1359301279 VVOUVGJEOXJMEP-QGZVFWFLSA-N 406.575 1.716 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359305971 RUPASWIYAJSRGA-XGHQBKJUSA-N 420.558 1.151 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1360591376 CAOOYQMKIJQIEE-JXFKEZNVSA-N 403.506 1.688 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CN(C)C(=O)OC(C)(C)C)C1=O 1438921018 UGRMNUOVPDLURQ-CQSZACIVSA-N 422.482 1.211 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCN(C)CC1 1439602426 JQWFNJCAUFWGPO-UHFFFAOYSA-N 406.504 1.178 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 1439623014 HPFIRWJNCRYWTK-SFHVURJKSA-N 405.520 1.747 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(F)(F)c2ccccc2C#N)c1 1443688440 MUBQJLNFXNHUAL-UHFFFAOYSA-N 422.413 1.313 30 10 HDEE CN1C[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)N(C(=O)OC(C)(C)C)CC1=O 1448184198 BPSMECLJWIOFTJ-OAHLLOKOSA-N 408.405 1.530 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1454630992 DAVOHFWHRXIDEV-ZDUSSCGKSA-N 420.470 1.082 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2cccc(Br)c2OC(F)F)c1=O 1459181359 AAZXHLRXJYVDLI-UHFFFAOYSA-N 416.178 1.286 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(C)no3)CC2)c1 1463835762 ZTDOQHUKURFRKE-UHFFFAOYSA-N 401.488 1.738 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C3CCN(C)CC3)C2)s1 1466657044 CFDIEZKUJSAGDN-MRXNPFEDSA-N 411.593 1.945 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(O)(CN4CCCCC4)CC3)CC2=O)cc1 1472324855 AEOIBMZITDEPSS-IBGZPJMESA-N 410.518 1.751 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1475132518 SRAMCNIZWXSNSG-RBUKOAKNSA-N 424.519 1.631 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1475685354 CNMVQBRUBSDCAX-AWEZNQCLSA-N 405.517 1.271 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)C 1476309162 ODQAJFNTBGJIIE-INIZCTEOSA-N 408.524 1.553 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1503639374 FEMJVGFQNCZHBZ-GOSISDBHSA-N 424.505 1.714 30 10 HDEE COCc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1504642597 HZVGCCNYDJMAIS-QAPCUYQASA-N 417.535 1.971 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)CC1 1505320402 JGMZEGVCKFTFDP-QGZVFWFLSA-N 402.499 1.555 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1507617594 WPUWDKWNLRZXJV-QZTJIDSGSA-N 407.584 1.762 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507634317 JSFLDHRWZQKZFV-SJLPKXTDSA-N 407.584 1.588 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1Cc1cccc(N2CCOCC2)n1 1507711595 DXTAYIZKSCIIHA-UHFFFAOYSA-N 412.538 1.843 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(N(C)C)CCSC2)CC1 1507731103 ALGPBJTVMCQLPZ-RXVVDRJESA-N 418.611 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2CC)CC1 1507735972 BWRULRCSPHOZAK-LJQANCHMSA-N 421.549 1.790 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C2CC2)N(C)C)CC1 1507736410 LPRSCFIIMAZFEN-FQEVSTJZSA-N 421.549 1.646 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC=CCC2)CC1 1507739934 GZTGQXZFHPLLRG-SFHVURJKSA-N 424.549 1.723 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507810184 WFDWJDPPZWAJCT-WDYCEAGBSA-N 423.583 1.682 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCNS(C)(=O)=O)CC1 1507901282 HMEGDRQLEMRDPZ-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1507921151 RLJGDXHMOOHMTA-NRFANRHFSA-N 420.558 1.994 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 1508041850 OCAJAWUIOKIXRY-UHFFFAOYSA-N 416.530 1.434 30 10 HDEE C=CCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OC(C)C)CCOC1 1508066942 JDGZPBZGNDXKHU-KXBFYZLASA-N 404.471 1.774 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1508164909 NXUSWVKDMHUJHH-KRWDZBQOSA-N 413.551 1.739 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)C1 1509430942 CKYJOKOMKASNIV-QZTJIDSGSA-N 417.558 1.467 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1509956559 CILDIUGWZAGHQU-WFASDCNBSA-N 404.421 1.941 30 10 HDEE CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCOC1 1516306116 ATRGJCNBWAOMMV-JENUVRPHSA-N 409.508 1.880 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1517237200 XRAIUMKRBNXCLO-UPTRSRDDSA-N 402.499 1.575 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCO 1517365355 KQMZVHZBQVJYAA-CQSZACIVSA-N 423.315 1.937 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1518631247 DDRUKBYVZFXWIW-LZJOCLMNSA-N 416.526 1.696 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1518960221 GDWYNXVYPFBHIB-LJQANCHMSA-N 403.508 1.173 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](c2ccc(OC)cc2)C(F)(F)F)C1=O 1533387599 FJQDVRRSRBMQKI-ZDUSSCGKSA-N 400.309 1.819 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CCOCC1 1533501000 ONMHKLKHPFEAAI-PMACEKPBSA-N 404.532 1.773 30 10 HDEE CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@@H](C)C#N 1533905775 CWINJNGABCGAEG-HOTGVXAUSA-N 420.535 1.831 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1538712678 MKWZWIYQGLWIOO-UHFFFAOYSA-N 411.418 1.036 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)Cn3nc4n(c3=O)CCCC4)ccc21 1538719545 MXCJGVXGGYJDPN-UHFFFAOYSA-N 408.462 1.603 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539022185 NQIQKAMTEYMZGA-AZUAARDMSA-N 423.565 1.665 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSc2ccccc21 1539148419 KLEVHYHWJASSMM-KBPBESRZSA-N 405.549 1.847 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1539217005 ZCESNWWCTMWIAN-SJORKVTESA-N 420.539 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1C 1539415965 IXSUMTGNVAYJSS-QGZVFWFLSA-N 409.450 1.053 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539490726 ZXJZHLHRENGTSR-CECAUBDESA-N 417.554 1.893 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 1539590031 BVBUBBLUDYXGQL-NEPJUHHUSA-N 411.384 1.387 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1540198595 MXPKTQJBTCCCBD-KRWDZBQOSA-N 420.558 1.103 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C[C@H]1CCOC1)C1CC1 1540873399 WSVGTRUDAXFWAI-OAHLLOKOSA-N 416.551 1.941 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541150361 GASJUHXWRSJMEX-VKNLVWNJSA-N 401.446 1.544 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1541806200 GUJBWGKCOHDPAM-CQSZACIVSA-N 417.495 1.016 30 10 HDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541990379 FRLWOZRUCCWDEW-HNAYVOBHSA-N 422.555 1.541 30 10 HDEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1542790354 DRUCXSFIVPNDQS-QGZVFWFLSA-N 417.473 1.792 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1545818614 KIMHDMBWNKHMHR-CVEARBPZSA-N 414.462 1.682 30 10 HDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1548161364 JSLBEGGAERSIDQ-GOSISDBHSA-N 423.521 1.682 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCSCCCO 1554349899 JWGNVUIBGRHKSB-KRWDZBQOSA-N 415.567 1.576 30 10 HDEE COCCN(C)CCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1555522776 IWEIVHPDTUDBGJ-QGZVFWFLSA-N 419.555 1.331 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1560142138 LPVKRPKIRNDERF-VWKPWSFCSA-N 422.526 1.527 30 10 HDEE C=CCN1CCC(NS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 1561228578 SSXPXWNMEIDVMN-MRXNPFEDSA-N 403.545 1.192 30 10 HDEE C#CCOCCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1564426551 OUYLYJZGKTYGTF-HNNXBMFYSA-N 409.483 1.268 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1565253672 QOKCIWPDVIJFBR-STQMWFEESA-N 408.446 1.595 30 10 HDEE CCc1onc(C)c1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1565398089 FAWCYEOZGDWUSF-UHFFFAOYSA-N 417.491 1.633 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1568075919 BVVYITBLVCXTTH-QPPBQGQZSA-N 409.530 1.513 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc4c(c3)C(=O)NCCO4)C2=O)cc1 1568507473 DPJHZFYCYYKTLW-SFHVURJKSA-N 404.426 1.211 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 1569062485 DVHKXBLRONCTDT-IAGOWNOFSA-N 416.478 1.763 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1570632484 PQHPKHCYTGJLNR-ZFWWWQNUSA-N 417.897 1.143 30 10 HDEE C=C[C@H](C)ONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1583407730 FTACMQPBNNZVEI-AWEZNQCLSA-N 410.492 1.886 30 10 HDEE C=CCCO[C@@H](C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182045 AXOSHRSGOPSRFW-GJZGRUSLSA-N 404.529 1.508 30 10 HDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCN(C)CC1 1585115708 UGOWVDAFGQQZSX-UHFFFAOYSA-N 417.575 1.960 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1587851623 KYGRKJHJRUJYPH-SFHVURJKSA-N 421.505 1.068 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1588040196 JGSKGUZQFUDTKL-MRXNPFEDSA-N 414.491 1.255 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)NC(C)C 1589514527 GZBIDKJLNIWQIB-YJBOKZPZSA-N 401.515 1.621 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1594491769 KHXCXJKFVLGQHL-OAHLLOKOSA-N 409.556 1.845 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1596696217 UTKHFYBZWRKPND-IAGOWNOFSA-N 410.434 1.457 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Oc1cccc(OCC#N)c1 1597184844 ZQDZFVVSPWBBCE-UHFFFAOYSA-N 405.432 1.168 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1nnn(-c2ccccc2)c1C(F)F 1598065825 OYIGHSFUFNVRPU-UHFFFAOYSA-N 404.421 1.893 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCN(C)C1 1602908255 HRPLZYBZPHZVAL-KNQAVFIVSA-N 410.522 1.918 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1611308677 RVNBJHPFVTVBHY-NVXWUHKLSA-N 407.482 1.934 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1611621150 GQUQWVPLSDQLAY-IRXDYDNUSA-N 414.485 1.781 30 10 HDEE COc1ccc(OC)c(CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO)c1 1615490955 XNQYNNJYGHZSHO-UHFFFAOYSA-N 408.454 1.798 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C(C)(C)C 1616848734 MGRRZQJMIFPNEC-UHFFFAOYSA-N 405.520 1.413 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cccc(SCC#N)c1)CCS2(=O)=O 1618580846 IUJLFUQAJHAGEF-HVEKOLDVSA-N 422.528 1.931 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C#N)CC1 1620164623 PSQOAHGDXSSIRG-UHFFFAOYSA-N 404.452 1.638 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc4cccnc34)n2CCOCCCO)CCO1 1620355796 YYRBPFJRFUHJRS-KRWDZBQOSA-N 408.462 1.621 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N 1625861769 ZMTGVTOESQVPCK-DOMZBBRYSA-N 414.325 1.697 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1626655688 JWJFDNGQSAGCHQ-LXIYXOSZSA-N 407.879 1.090 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1629976374 HXDIWCOVYQGSCB-UHFFFAOYSA-N 408.483 1.885 30 10 HDEE COc1cc(OC)cc([C@@H](O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1631290947 PAVOZKGTANUYLT-SFHVURJKSA-N 422.434 1.604 30 10 HDEE C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1631874364 VGKVLGHYWLAIIN-AWEZNQCLSA-N 413.471 1.061 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](N4CCCC4=O)C3)C2)C1 1634019219 FFOGSZNWXNULRX-IZCOPSDLSA-N 416.522 1.997 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)[C@H]1CCCO1 1634532578 ZVYSEGDEGVERER-TZMCWYRMSA-N 423.214 1.178 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3C(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1636512453 HLXKUKUZHRVCKP-ORAYPTAESA-N 400.481 1.989 30 10 HDEE COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)CO)c1 1636604746 CCBDCTMHDPOZNU-ZDUSSCGKSA-N 409.851 1.764 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 1637686780 IRBXZVBSXFBGAD-IRXDYDNUSA-N 417.311 1.850 30 10 HDEE CC(C)OCCOC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1637859809 SFAZWBSMNKQSEX-UHFFFAOYSA-N 409.508 1.269 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOCC12CCCC2 1640728040 XYRCRMVJNOPGRI-KRWDZBQOSA-N 405.520 1.971 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 1643889665 ZLUCQRDUGUBWOZ-PMACEKPBSA-N 410.449 1.525 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1645045735 FLXXTLXECMCOFA-OAHLLOKOSA-N 414.462 1.482 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](O)C[C@@]2(C)CO)cc1 1647812450 ADRPKSKVDINCGP-JTSKRJEESA-N 412.490 1.731 30 10 HDEE C#CC1(F)CN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1651092592 YBCPGKMKGKTTPA-UHFFFAOYSA-N 413.427 1.188 30 10 HDEE COCCn1c(N)c(N(Cc2ccccc2)Cc2ccncc2C#N)c(O)nc1=O 1652738174 CFEVKYUDNGCEBM-UHFFFAOYSA-N 406.446 1.651 30 10 HDEE N#Cc1cccc(C2(NCC(=O)Nc3cc(-n4cnnn4)ccc3F)CCOCC2)c1 1654270482 NCJIUJIEBCNXQB-UHFFFAOYSA-N 421.436 1.907 30 10 HDEE CO[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1654499167 RFHWMUZCPYZPIL-JKSUJKDBSA-N 413.478 1.954 30 10 HDEE CC(C)c1ccc(OCCNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1654889088 PQJULLLJJOVAGW-PXNSSMCTSA-N 405.520 1.175 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 1656945490 DIHCXRQGNSZQDS-RYUDHWBXSA-N 408.450 1.561 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CC1 1665602895 INDNPOJEPNFPFX-UHFFFAOYSA-N 418.537 1.549 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)CC1 1666448714 GKYWTZQKVBBWCL-UHFFFAOYSA-N 418.519 1.929 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1672061913 MXUQZCRFOBYGDM-MRXNPFEDSA-N 412.533 1.192 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)C2=O)cc1 1681300280 FGVJURRCZRDBSB-RTBURBONSA-N 423.477 1.184 30 10 HDEE C#CC[C@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1682377759 LFYXVEUGNPQFAU-LJQANCHMSA-N 400.523 1.041 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1684863283 KBOQAUCBBXUPGM-RCCFBDPRSA-N 400.479 1.959 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(C)(N3CCOCC3)CC2)C1 1686056323 VYYSLQKSBXPESX-SJORKVTESA-N 421.542 1.642 30 10 HDEE CO[C@@H]1COC[C@H]1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1686889712 DFIWVGBLPTZOSE-IAGOWNOFSA-N 402.430 1.111 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(N)=O)CC1 1689875109 KEEFTZHBDJNEFX-UHFFFAOYSA-N 409.494 1.821 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)(C)C)C1 1689877055 PGVBEVRHHYVMME-CVEARBPZSA-N 411.572 1.943 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1689980039 KPNKBCHAZVWVBO-SJORKVTESA-N 424.567 1.819 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C 1690094195 VOOBVQFFTCFPEK-HNNXBMFYSA-N 403.458 1.731 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCOCC2)CC1 1690113345 HHFQUKKLPRIPBT-NRFANRHFSA-N 403.527 1.112 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690655233 LRYNKISDNMKUMI-ULQDDVLXSA-N 400.527 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1C(C)(C)C 1690731267 GCWPELDXYFJOTM-GOSISDBHSA-N 411.528 1.207 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690731824 QXOGYZLNIHJBLC-CHWSQXEVSA-N 424.445 1.498 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@@](C)=O)CC2)CCOC1 1690995106 CVAZUXOAVBUOGQ-ATNQDOQJSA-N 409.556 1.826 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1691111121 YPVCXBCRDMWRGD-GJZGRUSLSA-N 412.485 1.660 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1693786280 PTODFBXDYPUCOQ-GJZGRUSLSA-N 418.523 1.370 30 10 HDEE CCN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1695502958 BVVYKGZEENBSGO-GOSISDBHSA-N 423.521 1.459 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1696098804 VYLDUJDJYDDOCL-BEFAXECRSA-N 418.885 1.756 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1696498770 XEPZFYCFYOZJRJ-QFBILLFUSA-N 424.571 1.632 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC[C@@H]1C 1697678495 QOZHRYYNKPIOLP-NBCNXNJRSA-N 410.522 1.745 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705508748 TZRHBHYGSYBONT-HNNXBMFYSA-N 401.471 1.489 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705572045 PISNHCZTXQLFBV-TVFCKZIOSA-N 424.567 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1705593279 MGBAVAATCJBPIH-QGZVFWFLSA-N 407.474 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705611407 BZURTCYKHKSSKO-SFHVURJKSA-N 418.505 1.935 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(C)(C)C2CC2)CC1 1705633220 MBJCXKBFJZKACJ-MRXNPFEDSA-N 422.599 1.470 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705651673 FLTXLNRNUPIWMW-CABCVRRESA-N 400.508 1.499 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705835110 AABKMKWIKFOCPY-MRXNPFEDSA-N 405.421 1.619 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705892783 HDRSUCHTHDXVOO-MRXNPFEDSA-N 409.487 1.700 30 10 HDEE CC(C)(C)[S@](=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1706186105 APXOLILNPUBNJA-MUUNZHRXSA-N 406.556 1.801 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1706938568 NYVBVEBRSCNGOC-DNVCBOLYSA-N 416.432 1.943 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1707574649 ZNNBLZQMWOZUNJ-MOPGFXCFSA-N 424.505 1.639 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1708620983 BRODGYSYUHFJKX-CRAIPNDOSA-N 407.478 1.850 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1710985380 YVHVAHZXTWYTTF-UHFFFAOYSA-N 404.478 1.807 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1722332552 MNMVXVLZFODQJA-SFHVURJKSA-N 421.567 1.793 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722371370 VSMSWHZVUOYFNO-IAGOWNOFSA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1722384568 WQGFCDPLUVLQEH-UHFFFAOYSA-N 405.550 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCC1 1722392204 BLHYAAIARORDCU-UHFFFAOYSA-N 416.489 1.689 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1CCN(C(=O)OC)CC1 1722428500 GPKWQEVKMURBEP-KRWDZBQOSA-N 405.499 1.346 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722543332 OTCDGPVGANKQRA-ZIAGYGMSSA-N 406.936 1.768 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722626760 GCNKQWCOZIAOJY-IAGOWNOFSA-N 404.515 1.321 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1722693667 WRIUDIDNXXEKFB-HNNXBMFYSA-N 416.913 1.863 30 10 HDEE Cc1nnc(N(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1Cc1ccc(C#N)o1 1726350194 LHALPJHQALEGJY-GFCCVEGCSA-N 400.464 1.944 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)c1 1730022541 FQGBMYOZYCOKSN-WIYYLYMNSA-N 413.478 1.852 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1731186789 GTKDPDJTPJWCHN-GOSISDBHSA-N 415.519 1.574 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(C)=O)CCCC1 1736484923 YWETXUNUTAFFQC-BCYZHJNNSA-N 403.523 1.665 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1740531523 NPXMZEJCJHQTPE-QGZVFWFLSA-N 424.505 1.464 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626170 JXYRFIATHPAEGN-JKSUJKDBSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1740636334 YBKLWHXHUAPPIR-UHFFFAOYSA-N 414.469 1.939 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCSC1 1740640269 JGVHFLPPRWTAGN-RXVVDRJESA-N 410.499 1.731 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1740669569 CRXYJACRSFLEHL-IRXDYDNUSA-N 411.497 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740731184 QQGQQJBTSYVIHV-XMSQKQJNSA-N 400.571 1.800 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740945276 USROBVBNVCJVCZ-OAHLLOKOSA-N 408.466 1.672 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1741005695 OHHLHXTVYOCQAB-OAHLLOKOSA-N 404.540 1.131 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1743363522 VLVYSAFTFHYKSU-QGZVFWFLSA-N 414.510 1.532 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)CCOC1 1746668574 HSHFBSOBVWFPDG-WOJBJXKFSA-N 421.567 1.928 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1747442514 DWUPUHGISCIYJS-GJZGRUSLSA-N 402.524 1.848 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1748635701 VOBQZQPFIWPZLP-KRWDZBQOSA-N 403.527 1.805 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1748729907 FKDUACCDPUHLHV-TWOQFEAHSA-N 404.467 1.848 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1748843475 FSFGZSBZBRFZFA-SFHVURJKSA-N 422.464 1.180 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(N(C)C)c2)CC1 1748971621 XDBTXHXAKDPCDB-UHFFFAOYSA-N 409.538 1.286 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CC)CC1 1748994255 WECXAVCGGXBFGD-QFIPXVFZSA-N 407.522 1.433 30 10 HDEE COC[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749306376 IBMFZOVXYQNFBI-ZDUSSCGKSA-N 406.450 1.553 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749450625 NPCHYRROZXLGPX-LAUBAEHRSA-N 421.542 1.783 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1749740781 JXVAXVQUZMBYPF-CQSZACIVSA-N 415.523 1.512 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1750112222 NVMHEYCPIXTSAS-SFHVURJKSA-N 412.450 1.121 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1751666234 RXAOYLLUWJNLMF-IBGZPJMESA-N 421.498 1.757 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccn(C)n2)c1 1760128727 QYHSAESEEKGCED-QGZVFWFLSA-N 419.489 1.620 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760129368 KXWZJBLIOXTHIK-MRXNPFEDSA-N 401.515 1.214 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1760155156 RIUGBGZBNTVEFS-MRXNPFEDSA-N 410.540 1.225 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1760179418 GHMJRHCUNFBHIQ-MRXNPFEDSA-N 415.469 1.561 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1760205765 JCUJWHOMYNKYOU-AWEZNQCLSA-N 403.533 1.320 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1760219431 DWDCPAIUGVEUII-SFHVURJKSA-N 414.535 1.307 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1760230528 ITDKWWYJTLYKLM-UHFFFAOYSA-N 401.492 1.337 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760280862 JJRMVWBOLDRACV-JXFKEZNVSA-N 406.552 1.923 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760356146 GUZMTAYXIFRUGC-SJORKVTESA-N 403.527 1.953 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1760496245 NHXPVXHHZFCYIW-UHFFFAOYSA-N 417.535 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](OC)C1 1760517605 RSSGOFQHJPBWQM-OAHLLOKOSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2[C@@H]1C 1760522360 RQNUXCFXLOBUKS-HOCLYGCPSA-N 415.519 1.564 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC2)C1 1760550233 VECNKFBIKRBUGU-GOSISDBHSA-N 402.543 1.668 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(F)c1 1760554236 WRPLYGVIBBEHBJ-INIZCTEOSA-N 421.498 1.606 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760821165 GSDRUOLRQKUSSN-QZTJIDSGSA-N 424.505 1.747 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)O1 1764321671 WBOYHQJKFXMVJX-JXXFODFXSA-N 404.515 1.943 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1771222537 JMNDEQIKQGPAMX-HZPDHXFCSA-N 415.498 1.240 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN3CCCC3)CC2)cc1C 1850616331 UVHDOMCLDQUABZ-UHFFFAOYSA-N 417.575 1.920 30 10 HDEE Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NCC#CCN4CCCC4)C3)nc2)n1 1851103950 WWKNKBOEXBGUFN-LJQANCHMSA-N 408.506 1.872 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)COCc2nc(-c3cccnc3)no2)CC1 1852898363 NVXXWCBBYFUNNR-UHFFFAOYSA-N 404.430 1.869 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853884835 VPIBTWNLSIVDGB-RTBURBONSA-N 415.515 1.446 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@@H]1C 1854751732 QIGNBTUGBICMPS-ZWKOTPCHSA-N 419.547 1.723 30 10 HDEE Cc1nc2ccc(F)cc2cc1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855069917 YOBZJUBLMPVXFJ-SFHVURJKSA-N 409.465 1.955 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)Cn2cnc3ncccc3c2=O)C1=O 1855854579 TWURQLXTKNDHKM-SJLPKXTDSA-N 409.490 1.740 30 10 HDEE C[C@@H](C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856326286 DPPOBNQVPRPSPP-JKSUJKDBSA-N 412.519 1.323 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)CC1=O 1856400493 LXBSFEGLCXPCCP-SJORKVTESA-N 420.535 1.118 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC4(CCc5ccccc5O4)C3)C2=O)CC1=O 1856459262 JGXMSUUFBYYQTM-MSOLQXFVSA-N 409.486 1.228 30 10 HDEE CN(C)C(=O)C1CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1856594784 KASYTIKWLCQFOO-IBGZPJMESA-N 410.518 1.666 30 10 HDEE N#Cc1ccc(OCCN2CC(=O)N(C(=O)Cn3cnnn3)c3ccccc32)cc1 1856750470 YSOPDGKCFXIBOC-UHFFFAOYSA-N 403.402 1.004 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(C)ccc3C)C2)CC1=O 1856791889 KPASOLCCXQEEOY-CVEARBPZSA-N 408.476 1.186 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC(Cc4ccccn4)CC3)C2=O)CC1=O 1856877966 FZXSJGOABYQLIZ-ICSRJNTNSA-N 410.518 1.498 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1CCOC1 1857017805 AOZJFOSLQKWABV-ZBFHGGJFSA-N 404.488 1.868 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2)CC1 1857207990 PMAPSBWGQLYWOK-ZWKOTPCHSA-N 409.490 1.578 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC)cn1CCCN1CCCC1=O 1870445718 JZAUVQCUENATGU-UHFFFAOYSA-N 417.506 1.587 30 10 HDEE COc1cc([N+](=O)[O-])cc(/C=N/n2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 1874564425 DSGWHJCZBVAAKO-MBCCIFHSSA-N 420.451 1.796 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc4nccn4c3)CC2)CC1 1889383894 WHDDMIRGWAKGCF-UHFFFAOYSA-N 423.561 1.985 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]1c1ccc(C#N)cc1 1892067095 YUECNPYNTURCMB-QZTJIDSGSA-N 421.544 1.209 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1 1892072304 DFYDRGGRYFQUAZ-LJQANCHMSA-N 404.532 1.934 30 10 HDEE COC(=O)[C@@H](CCN=C1CN(C(=O)OC(C)(C)C)CCN1)NC(=O)OC(C)(C)C 1959283540 RNQOFGOUOLDVHO-CYBMUJFWSA-N 414.503 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N[C@H](CC#N)C(F)(F)F 1965048568 IXRPZOMHHJSCDM-GHMZBOCLSA-N 413.418 1.371 30 10 HDEE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174779501 JYLWJDHCCPTPCZ-ZBSNKRKSSA-N 420.557 1.574 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCCCN(C)CCCNC(=O)OC(C)(C)C 2174779590 KYBGLOOQOGQJLE-MRXNPFEDSA-N 404.577 1.938 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@@](=O)(=NS(=O)(=O)N1CC(C#N)C1)C2 2174788013 ZWPIJTYTNBYVST-QMTYFTJSSA-N 418.541 1.328 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC(O)(C(F)(F)F)CC1)C(F)(F)F 2180825694 YJOBKUZPNHNKJE-MRVPVSSYSA-N 404.229 1.902 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2247824643 YVLCOMZBUPOGDH-UHFFFAOYSA-N 420.319 1.551 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N2CCN(Cc3ccccc3)CC2)OC1(C)C 2248053337 CSYJTURPORDOAH-UHFFFAOYSA-N 408.311 1.734 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)O)Cc2ccccc2)n1 2248573625 HLRBMEXJSCDRDW-UHFFFAOYSA-N 413.283 1.929 30 10 HDEE CC1(C)OB(c2occc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248589571 RMGMKYJPUMNYCL-INIZCTEOSA-N 415.251 1.979 30 10 HDEE CC1(CNS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)OCCO1 2255794815 PPXVPEJZBMGDEP-UHFFFAOYSA-N 417.720 1.681 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cn[nH]c3)cc2Cl)OC1(C)C 2267354458 ICMDOXARRZKTKY-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CN)C(F)(F)F)OC1(C)C 2267368755 NPLILDURZHGFKW-SECBINFHSA-N 400.253 1.215 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)c2)OC1(C)C 2267374678 VIDCCRZNMJJMJD-AWEZNQCLSA-N 409.313 1.369 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267471888 LFCZYYGWSGYZJP-XMMPIXPASA-N 407.388 1.187 30 10 HDEE CCS(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2269027278 XROONKLLORIDPN-UHFFFAOYSA-N 409.722 1.267 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CC(C#N)C2)C[C@H]1C(F)(F)F 2279242742 MLTXMFZCMMNHDM-RYUDHWBXSA-N 412.434 1.607 30 10 HDEE C[C@H](CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282030502 GTJBAOQHETVANK-LLVKDONJSA-N 401.721 1.802 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNC[C@H](F)C1 2282312801 BMUWMPBFWPEALN-VXGBXAGGSA-N 404.338 1.334 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282330216 WRHLHYPGPPFFTB-VDBVYFBLSA-N 402.347 1.120 30 10 HDEE C[C@H]1CCC[C@@H](CN)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333225 LTSFLOOTOBHLMF-STQMWFEESA-N 400.375 1.938 30 10 HDEE C[C@H]1CN[C@H](C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338321 QJZOERDTPYFYAW-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282624698 NNUMYUOAQRTOFI-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOC[C@H]1CF 2282828718 UDJLCVHXSULOGR-GFCCVEGCSA-N 405.322 1.715 30 10 HDEE CNC[C@H](C)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282832840 SGBSGTWXLVNFST-LBPRGKRZSA-N 402.753 1.773 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282838828 VBNNHHMYDWACCJ-XELLLNAOSA-N 421.415 1.743 30 10 HDEE CC1(C)[C@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857656 LBMYUSOUQMWEBS-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CN1CC[C@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282867106 UCQDFZWORRHTIA-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1)B1OC(C)(C)C(C)(C)O1 2282870546 UHYKVUDFBNCRSE-CYBMUJFWSA-N 407.363 1.449 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC(CF)(CF)C(=O)O)OC1(C)C 2295325034 ZFYLAKNUZIZOGO-UHFFFAOYSA-N 411.257 1.088 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]s1 2296459041 IDZFXYODCIEXSK-NSHDSACASA-N 415.541 1.832 30 10 HDEE Cn1cc([C@H](C#Cc2nccs2)OCC(=O)O)c(I)n1 2363660887 QIWUEEKKYXNUHF-VIFPVBQESA-N 403.201 1.675 30 10 HDEE COCC[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 2365175598 IQOGOMYNRTZRNJ-BEFAXECRSA-N 403.541 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365206109 FLPMIQGOGPWNFI-YZVOILCLSA-N 400.541 1.556 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245227 XZFGIRCIPQXWGG-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 2367802211 ZHZFGAORXHTCFA-CRAIPNDOSA-N 400.541 1.477 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367856214 OWGIPZGVAAPRCS-OAHLLOKOSA-N 401.525 1.923 30 10 HDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1cccc(F)c1 20292285 LPRVESPXPZCYLQ-DNTJNYDQSA-N 417.426 1.719 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 22074489 BZXDPKSHRDSYFM-ZDUSSCGKSA-N 412.895 1.422 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCC2(c3ccccc3)CCCCC2)CC1 52304976 TYVQZQHGNIFPAY-UHFFFAOYSA-N 412.578 1.925 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCC(OCc3ccccc3)CC2)c1 53744477 VNPKJEUDXMVMHX-UHFFFAOYSA-N 409.442 1.714 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@H]4[C@](C)(O)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@]43C 56874326 DUAQCTANPNATFA-FIHPJHGOSA-N 406.475 1.822 30 10 HDEE in-vitro C=CCCCO[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 223258197 RUZLEKUIXNODKZ-UURKPOQGSA-N 416.423 1.052 30 10 HDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254608635 SBUZTPLJWLNWOQ-PMPSAXMXSA-N 410.517 1.471 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C#N 439731075 HZWVXRBVCFIRHK-AWEZNQCLSA-N 412.471 1.790 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 460790335 CDVDITJHYYKBFG-GOSISDBHSA-N 420.558 1.323 30 10 HDEE CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)n1 462601552 IZYJBWMDBFQNRJ-CYBMUJFWSA-N 423.470 1.684 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 469880268 KTUQLADMHPWVLR-UAGQMJEPSA-N 405.476 1.292 30 10 HDEE CN(C)C(=O)CCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 473204179 FSAUBAAFZLJBSS-UHFFFAOYSA-N 403.552 1.533 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@@H]2CCCN(CCO)C2=O)n1 473782783 IXBNMVHBVKTCIX-CQSZACIVSA-N 402.842 1.502 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)c1 479037187 XORZKEDNZPJWKY-HZPDHXFCSA-N 410.492 1.334 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 480284979 AWTVAHYCMHREPQ-UHFFFAOYSA-N 420.470 1.676 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1F 489867924 CVWDNOGTAWOPEI-HUUCEWRRSA-N 415.446 1.895 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508850725 WEZYLKOIILHBNT-IBGZPJMESA-N 410.522 1.741 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(C#N)c4C)CC3)C2=O)n(C)n1 509300440 HQRJCHVNUHRQSP-FQEVSTJZSA-N 420.517 1.862 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)o1 514747321 QBCWKOVOOPCOSR-UHFFFAOYSA-N 409.489 1.555 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(Cl)c1 521479028 OSFCONJVBDDGDK-UHFFFAOYSA-N 415.899 1.363 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 524693683 HESPFHWWJTYMJD-QGZVFWFLSA-N 405.520 1.626 30 10 HDEE Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 542256598 UCCLDPSDSUOHPD-UHFFFAOYSA-N 402.524 1.934 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 542789222 KUTOWMVBAMRZRQ-FQEVSTJZSA-N 400.435 1.939 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccsc2)c1=O 573824505 XDZJXRMYSXVPEO-UHFFFAOYSA-N 410.524 1.875 30 10 HDEE CCCCCCCCSc1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 585668996 DRDFHNLVMDULTH-LSCFUAHRSA-N 411.528 1.473 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ccc(-n4cncn4)cc3)CC2)o1 611376747 XCGXVDGNXVZLPU-OAHLLOKOSA-N 420.477 1.435 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1C(=O)c2ccccc2C1=O 611547987 STTHHRWEIAVKMJ-AUUYWEPGSA-N 416.437 1.855 30 10 HDEE Cc1c(NC(=S)NN=C2CCC[C@H]2S(C)(=O)=O)c(=O)n(-c2ccccc2)n1C 741459091 YVECEWOTHCIPPS-OAHLLOKOSA-N 421.548 1.724 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(OC)c(C#N)c2)c1 746873503 YBKJMSRJBFJSCF-UHFFFAOYSA-N 417.487 1.730 30 10 HDEE CN(c1nc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cs1)C1CC1 758318576 ATJWSKNLMBQYSQ-UHFFFAOYSA-N 420.516 1.914 30 10 HDEE C#CCN(C(=O)N[C@H](CN(C)Cc1ccccc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 769534983 JTURSTLJVNDFAI-WOJBJXKFSA-N 405.564 1.975 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2cccc(O)c2)ccc1F 775801054 WUZJTIFNRRPFRA-QGZVFWFLSA-N 422.434 1.640 30 10 HDEE CCCN(C(=O)[C@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 781401326 NDQSPZHYSDNQEF-YJBOKZPZSA-N 418.515 1.947 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1-n1nnnc1C(C)C 784702422 KKYSJUMDZQYUFP-KRWDZBQOSA-N 422.493 1.231 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 795821708 BKJRETJRPNFZKN-HXUWFJFHSA-N 402.454 1.963 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1 796132958 QNFXSDBLXMFVGB-MJGOQNOKSA-N 406.552 1.986 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 809897335 ZFAXQXZPLYRVRI-AWEZNQCLSA-N 406.487 1.051 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCN(c4ccnc(N)n4)C3)cc2C1=O 810763736 GRTFMZCUQZHSPP-CQSZACIVSA-N 407.430 1.667 30 10 HDEE COC(=O)CC[C@]1(C)NC(=O)N(CN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 811743794 VFGFTRHYVQYMGC-NRFANRHFSA-N 414.462 1.623 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(F)cc1 812889164 NMPPDDCQVRTWFJ-GOSISDBHSA-N 419.482 1.386 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1 814402168 DMVCFROINVACKS-OAGGEKHMSA-N 400.545 1.902 30 10 HDEE N#Cc1ccc(CNc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)c(F)c1 863993084 KYIDZUJHUNUPFF-INIZCTEOSA-N 423.491 1.775 30 10 HDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)NCc1ccc(F)cc1 1084531810 WHVIEOHGRMAOPG-UHFFFAOYSA-N 400.443 1.381 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccc(Br)c(C#N)n1 1130039768 QHYPCOSALPAIMK-UHFFFAOYSA-N 411.256 1.750 30 10 HDEE CC(C)CNC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1135842332 LURULUHWPMXVPU-HNNXBMFYSA-N 413.496 1.410 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1136041257 VBRIXKZCEGDZJL-IEBWSBKVSA-N 420.391 1.413 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=C)Cl)C(=O)OCC)c1 1151573410 FKVZIBIMRJXRSD-HNNXBMFYSA-N 400.884 1.955 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)o1)S(C)(=O)=O 1153357926 HUBSXTFTIGAPHD-AWEZNQCLSA-N 404.448 1.435 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1Br 1158515966 HMBMLVKDIIDIJI-IRXDYDNUSA-N 408.296 1.757 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O 1158928646 FFCBRVBGJGRHMS-UAGQMJEPSA-N 405.520 1.657 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@H]([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1163383150 CBYOHHWRDMWSLD-LSDHHAIUSA-N 417.510 1.809 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1165497171 AFUHRZLJICYRFI-LIRRHRJNSA-N 417.487 1.023 30 10 HDEE O=C(CN1CCO[C@H](Cn2ccnn2)C1)NCC#Cc1cccc(C(F)(F)F)c1 1174733830 CXDSDPRTDNUKPY-KRWDZBQOSA-N 407.396 1.166 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)ccc1Cl 1175612390 RPSVSSKBLRVGMB-IEBWSBKVSA-N 404.898 1.875 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC12CCN(C)CC2 1180813176 MWDMRSHCFUTXQA-QGZVFWFLSA-N 418.563 1.981 30 10 HDEE CCOC(=O)c1n[nH]c(CNC(=O)COc2ccc(C#N)c(Br)c2)n1 1183192584 BENBXMRQTRWWDH-UHFFFAOYSA-N 408.212 1.311 30 10 HDEE CNS(=O)(=O)c1ccc([C@@H](C)NCC#CCN2C(=O)c3ccccc3C2=O)cc1 1192890884 QNWIXRCRNNOKRX-OAHLLOKOSA-N 411.483 1.545 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(F)c1 1286376364 KHPMBTBEMARTNG-HUUCEWRRSA-N 406.483 1.856 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C(C)C 1286377968 JWWKFYYVZAHCOT-UHFFFAOYSA-N 402.524 1.501 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1286395324 ZUCLGNOVHUEBQK-IBGZPJMESA-N 419.595 1.732 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN2CCCC2)CC1 1286473001 MWUMUHHRXNUJPG-QFIPXVFZSA-N 416.570 1.170 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(C)C(C)C)CC1 1286484924 QPDHEQSZAWLYSZ-UHFFFAOYSA-N 412.586 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286494393 NJTYSLWLNUULHU-KRWDZBQOSA-N 412.538 1.111 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)CC(C)(C)C1 1286781302 WTJKWJDVFZEYFQ-UONOGXRCSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C2CCCC2)CC1 1286788477 XGYNQICCTVIASJ-SFHVURJKSA-N 416.570 1.929 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 1288587278 VBTOAWKDBWKYKV-OAHLLOKOSA-N 400.460 1.757 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1289420961 UYFFTOGKZKOQCG-IBGZPJMESA-N 423.521 1.666 30 10 HDEE CCC(O)(CC)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1292277268 MXZUNYDIUGMMCJ-UHFFFAOYSA-N 422.493 1.765 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1293245170 BQVWTBKMUVMEAZ-LJQANCHMSA-N 404.486 1.171 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1293246023 JKBZNDNHNYLJEO-LLVKDONJSA-N 414.325 1.648 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2OCCC2(C)C)CCOC1 1296662216 BJXYNNZRHIPMFB-GQIGUUNPSA-N 405.499 1.474 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N[C@H]3CCCN(O)C3=O)CCC2)CC1 1298542954 HHIKHMXMJSTXRM-AWEZNQCLSA-N 411.499 1.415 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1O 1300189711 HGGSKVGWAUYQPT-AWEZNQCLSA-N 420.477 1.726 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cn1 1300207946 BYDCQVJNDQQZHQ-ZFWWWQNUSA-N 404.496 1.228 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1300298459 DDEAXNMGTRINJJ-HNNXBMFYSA-N 421.505 1.782 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300485471 XEFJBEUDIQVOQN-KXBFYZLASA-N 422.938 1.774 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1300618486 GSTAGNDZWHKDDR-HNNXBMFYSA-N 418.523 1.113 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(C(N)=O)CCCC2)CC1 1300692866 NYWJBIXAIFMMOQ-UHFFFAOYSA-N 422.533 1.755 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1301084876 AXYIDBORSCFGHL-KRWDZBQOSA-N 415.519 1.484 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC(C)C)C1CC1 1301331053 CYSZZIOURGMVOJ-UHFFFAOYSA-N 402.524 1.949 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1301422665 SIOLBRDSXKQSTI-KURKYZTESA-N 404.559 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C(=O)OC)C1 1301587817 YDGROUFIPXQIHA-OAHLLOKOSA-N 424.548 1.531 30 10 HDEE COCCOc1ncccc1Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302138317 OLPFXQXCYBKAKE-UHFFFAOYSA-N 421.461 1.590 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCOC(C)(C)C)n1Cc1ccc(C#N)o1 1303820802 RJTUMZIYDVTUDK-CYBMUJFWSA-N 424.527 1.653 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1OCCOC 1309575244 JMKZKHLJSIFTFB-ZDUSSCGKSA-N 404.282 1.497 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1314683056 FBRTZIVJWGEKGC-SFHVURJKSA-N 414.535 1.536 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1316258411 XXGRNSMIJBIREE-RTBURBONSA-N 424.505 1.585 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4C[C@H]3CO4)n2CC(=O)NCC(F)F)c1 1316528612 FTDDSSGGXHTYRN-GJZGRUSLSA-N 402.405 1.566 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2c[nH]c3cnccc23)c1 1351600188 FWFFXNLGGLIUFK-UHFFFAOYSA-N 402.454 1.979 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1 1354562173 ALVJASBYYRZRBZ-AWEZNQCLSA-N 400.522 1.647 30 10 HDEE C#CCN(C(=O)[C@@H](C)OCCC=C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358757748 MEPOFCGUMRDLHA-RTJUMIHMSA-N 400.519 1.844 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1358889410 BQAHSVFQUAYDLX-MPGHIAIKSA-N 416.503 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1cnn(-c2ccccc2)c1 1358968248 DQPLXHKGVOPQQP-UHFFFAOYSA-N 415.501 1.918 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1359008830 BJIMRJRSTIVPDV-UHFFFAOYSA-N 419.537 1.888 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)CCC)CC1 1359028356 PHXWLSOFZVLDOA-OAQYLSRUSA-N 404.559 1.503 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2([S@@](C)=O)CCC2)CC1 1359037061 UFPIBPLCRHOKAS-GDLZYMKVSA-N 412.563 1.320 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1359043468 VBHSLWCTPUYQKC-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCCCO 1359067379 LEYTVRNIPJYTBX-OAQYLSRUSA-N 422.493 1.312 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359126334 MRFMRYUVDFJPDM-MSOLQXFVSA-N 420.558 1.166 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@H]1CC 1359183500 MSDQHEOVGLWPFD-UONOGXRCSA-N 412.560 1.205 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CCOC1 1359305149 UOGYOZLOKHMOHK-OAHLLOKOSA-N 403.458 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359333473 YWUOECJDJALPNF-MRXNPFEDSA-N 424.571 1.118 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1359333758 IQDLFKZFFYNEHB-QGZVFWFLSA-N 419.551 1.726 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359456400 XUUYEGAEAKFQIT-LJQANCHMSA-N 421.505 1.544 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OC 1438403130 SEUYEUSXWOBPIC-MRXNPFEDSA-N 418.450 1.501 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc([N+](=O)[O-])cc3Br)C[C@H]1CS(=O)(=O)C2 1439609640 BTFLFZFGAFOFDR-XPTSAGLGSA-N 414.237 1.368 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NCC1CCN(CC#N)CC1 1443990218 GVNGPHOQROHLMD-GOSISDBHSA-N 401.511 1.869 30 10 HDEE C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1450472785 YZYVXSOBPQMKIC-XIRDDKMYSA-N 418.494 1.797 30 10 HDEE COCC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1450765354 DFUWPACIERGKAE-AWEZNQCLSA-N 410.268 1.451 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1456474474 HJXRYPNLIGIPQI-HXUWFJFHSA-N 413.499 1.999 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1464606201 SIVNNPFFKYCYRD-UHFFFAOYSA-N 400.435 1.440 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccnc2)CC1 1466291243 ASVGHQAHIRXYIV-QGZVFWFLSA-N 400.479 1.673 30 10 HDEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1466738229 VTPPTBJJJASBTE-PFHJDOJBSA-N 403.479 1.863 30 10 HDEE C#CC1(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCCC1 1467765918 BERPOKJTYWEVHF-UHFFFAOYSA-N 405.520 1.594 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1467877243 LTKMXQGDQCCYSW-LASWEOPPSA-N 414.890 1.659 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 1469728103 FRCQFUGWXXUILH-PMPSAXMXSA-N 401.467 1.661 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1471529257 HZHGIJFDTGQTDP-GOSISDBHSA-N 422.489 1.904 30 10 HDEE CCOC(=O)[C@@]1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 1473732853 XHZAHIAVTUENKC-OXJNMPFZSA-N 420.535 1.111 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1475584412 ZGJHGGQSAMSHMG-LJQANCHMSA-N 412.577 1.689 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@H]2COCCO2)c1 1505314028 PSABOZVTDLPKOS-ROUUACIJSA-N 410.478 1.324 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)cc1 1507667576 OZVVCHQVJMQNJS-LJQANCHMSA-N 404.474 1.699 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCS1 1507668877 DWKUXIRGDHBVFO-LPHOPBHVSA-N 406.577 1.929 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(F)(F)C1 1507703364 VOWTUYKFKVAOPZ-KGLIPLIRSA-N 419.498 1.410 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ccn(C)n2)CC1 1507732743 SEDLOHPHHKHNCS-UHFFFAOYSA-N 405.506 1.703 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN(C)CCOC)CC1 1507742990 UTQOYPCTHRTLTD-UHFFFAOYSA-N 418.586 1.411 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507868009 CVASGBDWEMLQNK-KRWDZBQOSA-N 422.961 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1508080458 OXEHZXWYLPTPBL-CQSZACIVSA-N 407.478 1.051 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1508157554 AFLDTSOITWXBOV-UONOGXRCSA-N 402.528 1.618 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1517143729 DCSQRVIJCCAIGH-KUDNYVPYSA-N 414.259 1.858 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@H]1C 1519205609 FGSLGAVYWCJOKX-INIZCTEOSA-N 411.510 1.062 30 10 HDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519402449 RDZBWPYMDUQJKZ-UHFFFAOYSA-N 422.493 1.529 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cc(OC)c1OC 1521584812 XDHRFRYBIZBASO-ASHSGLFDSA-N 402.403 1.114 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCCOC1 1521815093 JPVRYFUBCZRWLG-OAQYLSRUSA-N 413.499 1.993 30 10 HDEE Cc1nsc(N2CCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)CC2)c1C#N 1524096404 UQDVLMHCFCQBNW-UHFFFAOYSA-N 421.523 1.067 30 10 HDEE C=C(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1526304300 DKWDUKQYYYCMCZ-UHFFFAOYSA-N 421.563 1.999 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(I)n1 1532461289 VACCPGATLLNGPQ-UHFFFAOYSA-N 403.176 1.224 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cccc4c3CCNC4=O)C2=O)cc1 1536023186 RUPGWJPPMFVPSL-SFHVURJKSA-N 417.425 1.688 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539089718 PPRPODLTHZDSJF-UHFFFAOYSA-N 400.527 1.811 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCSc1nccs1 1539148500 LMSWXNQSTLOOLA-LBPRGKRZSA-N 414.582 1.597 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H](C)N1CCN(CC)CC1 1539190425 JMRIVYUHRIAKOW-FQEVSTJZSA-N 410.566 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCn1cc(CO)nn1 1539311281 HFVJIXRWQREPOD-UHFFFAOYSA-N 407.453 1.721 30 10 HDEE COc1nc(N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)ncc1Br 1539949890 GAMUQIATUGYYGT-MRXNPFEDSA-N 410.272 1.217 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539965970 CQAYPCVTGFEDBS-ROUUACIJSA-N 423.583 1.841 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1540004640 CQXYZKCMFOGNBZ-QGZVFWFLSA-N 416.551 1.868 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1540048496 WLSZRSVQXMUJJV-OAHLLOKOSA-N 415.523 1.745 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1)C1CC1 1540095229 OAFDQDCVNGNADK-HNNXBMFYSA-N 404.540 1.989 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1540140240 SAPSECTWBBNGEU-FQEVSTJZSA-N 417.535 1.920 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1541699582 YUISLZHKQXKSAH-UHFFFAOYSA-N 411.510 1.692 30 10 HDEE Cc1cc(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1542195685 IVZHDKPZRXAELT-VHEBQXMUSA-N 413.482 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)[C@H](C#N)C1 1543734471 HAFGPUNMPFXKTQ-QGZVFWFLSA-N 423.473 1.882 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](OC)c2ccccc2Br)CC1 1556504224 OZEIXYLSSMZFDX-QGZVFWFLSA-N 408.296 1.030 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCNC1=O 1558397233 NNDMUJYBZCYGLF-KRWDZBQOSA-N 413.478 1.534 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(OC)cc2)C2CCC2)CC1 1565425705 NXHPDIPIUCRQCX-IBGZPJMESA-N 420.535 1.331 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1565589859 BHPLOKKVOFULIU-QFIPXVFZSA-N 422.573 1.572 30 10 HDEE COc1nsc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1Br 1565630036 PUPDVIWTXVADDP-PKNBQFBNSA-N 401.242 1.170 30 10 HDEE C=CCNC(=O)CNC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1566895052 ZJWBQFDSRWEUDM-INIZCTEOSA-N 416.478 1.497 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccnc(F)c2)CC1 1569232694 FQNCAWRSYNGNEQ-CQSZACIVSA-N 417.466 1.108 30 10 HDEE C#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(Br)cc1 1569673578 LJHAESNGCKVABL-CYBMUJFWSA-N 417.267 1.157 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCOCC1 1570189757 LDCSHWNAEMDBPR-QGZVFWFLSA-N 409.527 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 1583798400 QAILJQNTRSAZKL-IAGOWNOFSA-N 414.462 1.105 30 10 HDEE N#C[C@]12CN(C(=O)c3ccn(-c4cccc(C(F)(F)F)c4)n3)C[C@H]1CS(=O)(=O)C2 1585660354 KYDFGWFWBTXKLX-SUMWQHHRSA-N 424.404 1.901 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC2(O)CC2)n1 1588723375 MDAQZADTCUPKHB-SFHVURJKSA-N 414.510 1.527 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1593741726 WDTMQLAQWFUEAC-GJZGRUSLSA-N 400.487 1.292 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1594497388 GKSWTPXQSSYETI-HZPDHXFCSA-N 423.583 1.874 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C[C@H]3CCCO3)C(=O)OC)ccc2c1=O 1595339144 OXBGRKXOZXYCNL-CZUORRHYSA-N 417.487 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595500961 HLYYSWAVZWWANW-INIZCTEOSA-N 400.483 1.453 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@]2(CCOC2)C1 1595522824 KPCKXCGBJHRCGC-OAQYLSRUSA-N 413.478 1.252 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2)C1 1595673568 IAVMFVVKWFPPAI-RRFJBIMHSA-N 415.585 1.423 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O 1595798248 OCRMEXGMANMPKW-INIZCTEOSA-N 406.508 1.725 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1597705929 WDRGAKPTWPRFMZ-GOSISDBHSA-N 407.474 1.415 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1612240858 CZOHIIVBWZUEMA-QGZVFWFLSA-N 406.446 1.326 30 10 HDEE Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612613786 YOPANVQYFYNLIU-OQLSDQBISA-N 422.489 1.561 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1615752904 ARNQSRKQHLUAFG-YEWWUXTCSA-N 404.450 1.104 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C)C(=O)OC 1617951157 SUHFUKZRCNLKRN-FOIQADDNSA-N 414.499 1.653 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1Cc1nncn1C 1619899747 GUMMEYKVSSIFAX-GOSISDBHSA-N 422.493 1.831 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCn2ccnn2)cc1 1620350121 CWICYGKHJDEZHX-QGZVFWFLSA-N 419.493 1.590 30 10 HDEE COCCN(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)CC1CCN(C)CC1 1620482332 FVQBBYUBPGDTMQ-UHFFFAOYSA-N 410.522 1.973 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@@H]2COc3ccccc3O2)c1 1621668911 GNFRXFRRTITZLW-KRWDZBQOSA-N 400.456 1.708 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1624692239 GBRZDCZMEOLXTA-UHFFFAOYSA-N 421.523 1.134 30 10 HDEE CC[C@@](COC)(NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC 1625900222 KBZLVMAIRVYSPM-NRFANRHFSA-N 405.300 1.992 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2COc3ccc(O)cc3O2)cc(OC)c1OC 1626077830 WRSLZCIEZUPKOW-FZKQIMNGSA-N 400.387 1.939 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nccc(C(F)(F)F)n1 1626576493 DCSPINZRVLHVGP-JTQLQIEISA-N 413.381 1.350 30 10 HDEE C=CCOc1cccc(NC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)c1 1626644905 CDQHDNXZNVQZIA-UHFFFAOYSA-N 409.446 1.924 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCOC[C@H]3C#N)cnn2c1 1627868092 ZKEZAWQEKVQUDQ-CQSZACIVSA-N 400.439 1.161 30 10 HDEE C[C@H](CC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1629731502 HQDYBGBXDMXXBH-QGPMSJSTSA-N 413.499 1.838 30 10 HDEE C[C@@H](CC(=O)N1CCCc2c(cnn2C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1629872754 HCPOHERRXYSHOD-ZDUSSCGKSA-N 401.492 1.212 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCCN2CCC[C@@H]2CO)CC1 1630077306 ZNWQKQCJAULLAG-LJQANCHMSA-N 407.555 1.990 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCCc2ccc(C#N)cc2)c1 1632774206 AHZNWQZLZKBMCE-UHFFFAOYSA-N 400.460 1.861 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 1633278060 BUZSVUVCVQITMG-GFCCVEGCSA-N 407.345 1.016 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC3CN(C(=O)OCc4ccccc4)C3)CC2)nc1 1636075175 ICEJYLPWCQNONP-UHFFFAOYSA-N 420.473 1.806 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2cnn(-c3ccccc3)c2I)C1 1638968247 LZCVKZJZVBWTCZ-INIZCTEOSA-N 422.226 1.968 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(OCc3ccccc3C#N)cc2)CCO1 1640677050 HZCLINVUJVLKAW-HXUWFJFHSA-N 408.458 1.907 30 10 HDEE C=C(C)Cn1c(SCC(=O)NOCCN2CCCC2=O)nnc1-c1ccco1 1642536369 CHXDGYOTKYRULU-UHFFFAOYSA-N 405.480 1.877 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1643214088 KEGCPMCIWBNSLS-GJZGRUSLSA-N 414.549 1.462 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O 1643855416 RLGPJLGIHYRTSJ-UHFFFAOYSA-N 423.472 1.783 30 10 HDEE CC(C)O[C@@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1646169912 KSJHNRUTHJUBKM-DYESRHJHSA-N 414.462 1.464 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)s1 1648090949 SUPKHZSXCWHZFG-GFCCVEGCSA-N 420.578 1.227 30 10 HDEE CO[C@H](CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 1655204315 ARGNLBCAFCMNAZ-RTBURBONSA-N 405.520 1.784 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc3c2OCCCO3)n1 1655207419 MQKRHIZMJVIQEI-UHFFFAOYSA-N 405.476 1.515 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1659658795 OFJLDLRDONMSTN-MRXNPFEDSA-N 402.538 1.295 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@H](O)c3ccnn3C)CC2)c1 1663270194 NDBGIFHTUHAJBR-IBGZPJMESA-N 418.519 1.470 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1665174808 LGJRAOHKVGJLQL-JTQLQIEISA-N 414.452 1.265 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)n1 1665321092 DKEPGKYQSZSJFT-UHFFFAOYSA-N 409.446 1.850 30 10 HDEE Cc1c(Br)ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)c1F 1669487809 CWVWDKMPWHSZQE-UHFFFAOYSA-N 410.203 1.852 30 10 HDEE Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N(C)C 1672525668 MTQWQVXXLCAISL-KBXCAEBGSA-N 410.478 1.387 30 10 HDEE COc1ccc(NC(=O)N2CCC[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1672601005 DXODKRVMKQEZPP-CQSZACIVSA-N 408.480 1.484 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1681514786 CFKXYEBVLYJLMK-MSOLQXFVSA-N 412.494 1.451 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 1682015470 GCVGKGIZWUUONZ-INIZCTEOSA-N 412.487 1.279 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(CNC(=O)NCC(=O)NCC#N)C(F)(F)F 1682185376 KZQLTYVSXAPHQQ-HNNXBMFYSA-N 407.393 1.257 30 10 HDEE C#CCCN(CCOC)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682293513 PWTPINMHNHEWBL-IBGZPJMESA-N 419.497 1.525 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)cn1 1682632164 ZRMDYOLESOTKCU-UHFFFAOYSA-N 412.538 1.676 30 10 HDEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1C(F)(F)F 1686321011 KRSFDNZNVIGYPO-DEQQHWRFSA-N 402.413 1.347 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c(O)nc1=O 1687567897 JBESBXCBKQIEBO-QGZVFWFLSA-N 411.462 1.859 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1689929661 BKEFHRJIGFBHFA-MRXNPFEDSA-N 411.466 1.825 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C(C)C 1690206180 IXKDZEOYMJUDJW-YLJYHZDGSA-N 407.584 1.903 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690305105 XVFDQMCCGPWCNK-UHFFFAOYSA-N 416.526 1.649 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690488698 SGTDFSQYODYZIE-KRWDZBQOSA-N 409.494 1.703 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNS(C)(=O)=O 1690530433 OZFOQJUCTFEIRD-UHFFFAOYSA-N 403.512 1.078 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1690666719 DUWHJFSARORVED-UHFFFAOYSA-N 421.505 1.866 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1690671838 ADDXJOICHQRJGR-UHFFFAOYSA-N 412.494 1.602 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)C1 1692849245 BGWXDBPITIZSGO-AVRDEDQJSA-N 424.505 1.714 30 10 HDEE C[C@@H]1CCC[C@@](Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)(N(C)C)C1 1693625716 FBFQDYAXUVONEW-LLGFUMIMSA-N 410.526 1.974 30 10 HDEE CCc1nnc(N2CCc3ccc(O)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694704150 ZNZGKTLFJJMPBQ-VXPUYCOJSA-N 408.462 1.635 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1695496903 HPINGFTZJCJZIC-KRWDZBQOSA-N 419.493 1.765 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705538287 ILZGXKFJUADYRL-KRWDZBQOSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705553209 NJBNCJOMPJSZEX-DLBZAZTESA-N 412.494 1.274 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(O)CCC2)CC1 1705634008 GDRNVTKAIVOXQS-UHFFFAOYSA-N 411.506 1.633 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(COC)CCC2)CC1 1705638215 CFRHCLAEULOTRE-QGZVFWFLSA-N 400.527 1.191 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705724776 OTYINYWTWBMJSJ-CABCVRRESA-N 413.478 1.876 30 10 HDEE C=CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1705883895 ZZGZLKLTYXSGNU-UHFFFAOYSA-N 424.505 1.924 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1705896136 CJBNBWMZOYDAHF-UHFFFAOYSA-N 424.505 1.362 30 10 HDEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1711213198 YVQPBQRBBNWAQE-HZPDHXFCSA-N 420.514 1.768 30 10 HDEE COCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1712341142 DRQZKGHMAFIRGD-KRWDZBQOSA-N 416.526 1.726 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1712372673 NODWIMZBEXNAQR-MJGOQNOKSA-N 424.505 1.870 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccs1 1712563444 XOORCZCDFAPSAL-ZBFHGGJFSA-N 417.539 1.683 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)NCC)CCC1 1722283832 JTEDUNHNFGIIGO-OAHLLOKOSA-N 409.494 1.690 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722323595 VJLKWUQEMWEHLB-JKSUJKDBSA-N 400.483 1.406 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1722329543 CHMKUYDVQQAAGE-WIYYLYMNSA-N 421.549 1.742 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1Cc1cn(C2COC2)nn1 1722398987 MBAHGDVGMHWXOF-UHFFFAOYSA-N 415.501 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCOCCOC)CC1 1722438771 BIIKQQKYRKFIFS-UHFFFAOYSA-N 401.486 1.426 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722534678 VWMXOHGYTRVSML-UHFFFAOYSA-N 411.572 1.684 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1722671442 STVSFLVGWWMDNG-ZWKOTPCHSA-N 401.559 1.434 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1728197883 COTMTLJGMMZUAV-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1728422251 ZCGCTWSNELKIGO-ZWKOTPCHSA-N 406.531 1.259 30 10 HDEE CN(CC1CCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729460783 JYSUSYSZVWYIBA-IGGDJGDASA-N 414.510 1.935 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)(C)C)C1 1729762367 GGAOHJZQAGJDRN-KRWDZBQOSA-N 424.505 1.978 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1740567501 SBHCVHYMZBOWBH-FUHWJXTLSA-N 423.583 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1740641549 BWHZZQMBXMULEB-SFHVURJKSA-N 415.501 1.504 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCC(=O)NC)n1 1740687734 KPBWNMYMVGAJNU-UHFFFAOYSA-N 401.515 1.194 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C2CC2)C1=O 1740764445 FLBBCDQINOWCPS-NRFANRHFSA-N 400.527 1.927 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 1740767788 ZHEOZTDJVMWGDH-CVEARBPZSA-N 410.588 1.775 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1740885436 GZESVGJGJIXWFV-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1740940531 JNUSRWSLBRHSHI-MRXNPFEDSA-N 400.483 1.098 30 10 HDEE CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1743126495 KTDNTLZURNHPPA-FBMGVBCBSA-N 415.498 1.179 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1748717718 GXVQDZJMFQARPP-WBVHZDCISA-N 407.540 1.041 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1748802160 MIAMJAKIAXKTHK-HNAYVOBHSA-N 410.540 1.008 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCS2(=O)=O)CC1 1749341755 NYTORWYKAVUBCC-HZPDHXFCSA-N 407.540 1.599 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1749457591 SMSUIIUTZUIWRG-CABCVRRESA-N 400.487 1.292 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1749590765 FVEOOBWTZJJBJF-MSOLQXFVSA-N 415.494 1.863 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](COC)C1 1749676416 PTFCRAKGNMELMZ-INIZCTEOSA-N 403.458 1.162 30 10 HDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749708790 GQMBJSOGCACQTG-UHFFFAOYSA-N 412.498 1.046 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1749709199 OGEVLCKXIIAZQU-ROUUACIJSA-N 417.514 1.475 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760182721 LLZOZCRJCUQQAZ-JTDSTZFVSA-N 410.540 1.224 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760452806 RYVUQLKUOZKRMO-UHFFFAOYSA-N 421.505 1.513 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760465506 JHUKTAGDGFNDQE-HNNXBMFYSA-N 407.515 1.912 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC1 1760617953 BRRWUTAZMYOPNA-LJQANCHMSA-N 424.505 1.824 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1765116995 QZHBTKBWOLEJNE-UHFFFAOYSA-N 408.466 1.673 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N(C)C1CC1 1766335554 GJGXGZABCCKOJY-AWEZNQCLSA-N 411.510 1.832 30 10 HDEE CCN(CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C1CC1 1766915602 RRVUZESPFCABKC-WIYYLYMNSA-N 418.542 1.532 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)C1 1770318202 VRPGMIVOLQXEEZ-GOSISDBHSA-N 422.470 1.953 30 10 HDEE COc1cccc2c1CCN(c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O)C2 1770383410 YWKBQKDLXJFNMJ-VXPUYCOJSA-N 408.462 1.684 30 10 HDEE COC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1770768503 KAGJJDSDNBVLGU-YRXWBPOGSA-N 424.505 1.634 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)C1 1771528783 DRGJSKHSZUUSJM-MGPUTAFESA-N 411.441 1.700 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(Cc2ccc(C)cc2)C3=O)CC1 1848521333 ZZGKTXMKKRDVSS-FQEVSTJZSA-N 403.504 1.930 30 10 HDEE CN(C(=O)c1cnn2ccc(C(F)(F)F)nc12)C1CN(c2nccnc2C#N)C1 1848823570 YQELUEZFYWPCPB-UHFFFAOYSA-N 402.340 1.371 30 10 HDEE C=CCN(C(=O)CCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCN(C)C1=O 1849691103 IZJDGDYQBIRNFI-FUHWJXTLSA-N 422.551 1.037 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)N(CCC#N)CCC#N)cc3C2=O)cc1 1851446153 ZWBZCJZUHOCCEB-UHFFFAOYSA-N 406.446 1.817 30 10 HDEE CN(C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)c1ccc(C#N)cn1 1851614003 VKGVFKIUAQLXIA-SFHVURJKSA-N 404.536 1.985 30 10 HDEE Cc1nn2c(C)c(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cnc2c1C#N 1851845565 DXGWBZQMPRQNPZ-UHFFFAOYSA-N 417.517 1.765 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852529934 YVZMOIVAVXHUCX-NSHDSACASA-N 424.832 1.764 30 10 HDEE COCCN1CCN(Cc2ccc(C(=O)N(C)C(=S)N=CN(C)C)cc2)CC1 1852537993 DMVWYIRHXBOCPK-UHFFFAOYSA-N 405.568 1.397 30 10 HDEE COc1cccc2c1OC[C@@H](C(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)C2 1852591857 HBELWBXLAYUWPP-IBGZPJMESA-N 422.485 1.878 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853821326 GCNWEQNSLHOADE-IRXDYDNUSA-N 400.479 1.074 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)cc1 1854306136 NOLAETJEQMJTOZ-QGZVFWFLSA-N 407.492 1.222 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(Cl)ccn2)C(=O)C12CCCCC2 1854421297 LHWOLQIIYQSQBB-UHFFFAOYSA-N 410.883 1.576 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)cc1 1854633328 OXTIVLXNSXWPSM-PMACEKPBSA-N 406.490 1.622 30 10 HDEE CCCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)CC1 1854868628 CDOVQVPKANGGEO-UHFFFAOYSA-N 418.519 1.512 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(OCC(F)(F)F)ncn3)C2)CC1 1855861850 HUSNXNQZGUBWFT-CYBMUJFWSA-N 411.384 1.642 30 10 HDEE CC[C@@H](C)CC(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098259 CYUQVPSVMMCZLW-XLIONFOSSA-N 410.518 1.922 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)ccn1 1856102340 IJDZKDBNJNTZTE-WOJBJXKFSA-N 411.506 1.271 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C(=O)C1(C)C 1856115526 MJMCLMHLXUMOAK-AWEZNQCLSA-N 419.503 1.245 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3nccc(N4CCOCC4)n3)C2=O)CC1 1856538450 ICGYJJSKHGUMQO-QGZVFWFLSA-N 412.494 1.070 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCN3CCCC3)C3(CCCCC3)C2=O)CC1=O 1856834842 FFDKEOZJSRGFSH-LJQANCHMSA-N 416.566 1.490 30 10 HDEE Cc1cccc(OCC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857020025 UIHNGOWPIHKUFV-KRWDZBQOSA-N 419.503 1.314 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc(Cl)c3)C2)CC1 1857027200 VIQDSZAZLQOSTO-HNNXBMFYSA-N 409.895 1.894 30 10 HDEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857156084 LWGCHTYQFBDFMN-WMZOPIPTSA-N 402.470 1.642 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)ccn1 1857323481 AWPZCIPYEUXDAL-KRWDZBQOSA-N 403.433 1.357 30 10 HDEE COC(=O)c1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858422262 PSRBENCPEDPESA-OAHLLOKOSA-N 413.455 1.994 30 10 HDEE CC(=O)NCCC(=O)Nc1c(C#N)nnn1-c1ccc(I)cc1 1870160310 LBKTZTBJGYLJTF-UHFFFAOYSA-N 424.202 1.208 30 10 HDEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870480398 VJGVPEOWSIUYPL-UHFFFAOYSA-N 406.479 1.704 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCCO 1870504245 UOELWYHFOUJSPV-UHFFFAOYSA-N 418.519 1.879 30 10 HDEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCN(C)CC3)ncnc21 1873593166 HWIBIONDABVAEZ-UHFFFAOYSA-N 413.570 1.831 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 1888175054 LJIVBEHKADACEQ-UHFFFAOYSA-N 413.135 1.977 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1900051279 CLMDZGAUSWETNT-CQSZACIVSA-N 401.504 1.849 30 10 HDEE CCOC(=O)NS(=O)(=O)N[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186630100 PURSYCJQHMZQSN-JTQLQIEISA-N 404.319 1.689 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ncc(I)cn2)cc1C#N 2189861590 VXGJENKBCHFIFE-UHFFFAOYSA-N 401.189 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2ccsc2S(C)(=O)=O)[C@@H](C#N)C1 2194937137 HUASQVBYZNESEI-JSGCOSHPSA-N 414.553 1.596 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237724134 IPJXTKGWQFDDAJ-NSHDSACASA-N 403.331 1.337 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826914 BJOVKFVMMXNKLB-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247916721 CRYZOOJBGHDCQO-JSGCOSHPSA-N 420.319 1.742 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248061670 RXTKQBMKKKBACP-UHFFFAOYSA-N 422.291 1.304 30 10 HDEE Cn1nnc(Br)c1S(=O)(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2251305433 ZWKYGLWTCKSLMD-UHFFFAOYSA-N 407.099 1.044 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282033384 SSDKYQSTAAAVMU-WDEREUQCSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H]4[C@@H](C3=O)C4(F)F)s2)OC1(C)C 2282347444 YGWTXPJCFLCVKU-KWQFWETISA-N 405.253 1.460 30 10 HDEE CC[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2282497527 RAMBYMTXJIDRLP-VWLOTQADSA-N 403.331 1.801 30 10 HDEE CC1(C)CCN[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497582 RPQLFGUPTMBWJE-CQSZACIVSA-N 400.375 1.714 30 10 HDEE COC(OC)[C@@H](C)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502749 PHYBIBZLAPCDLQ-LLVKDONJSA-N 405.347 1.675 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@@H]3CO)ccc2Cl)OC1(C)C 2282506250 POVJXTBSWSASOH-IAQYHMDHSA-N 401.721 1.688 30 10 HDEE CN(CCS(=O)(=O)N(C)C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282508706 AAEZMELVKSLQGB-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE CCc1nc(C(=O)NC[C@](C)(O)CSC)c(B2OC(C)(C)C(C)(C)O2)s1 2282522493 LJUMEUQJIZRJPH-KRWDZBQOSA-N 400.375 1.849 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@H]2C2(C)OCCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598460 LLCFXGSAQBACMX-HNNXBMFYSA-N 405.304 1.477 30 10 HDEE C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855310 CAWXBLZTHZVPTP-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCN3CCCCC3)c2)OC1(C)C 2282856088 NOIFTRLYOPFFHN-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE CN([C@H](CCO)C(F)F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870279 PQPHMTHNUSJRBU-LLVKDONJSA-N 411.301 1.684 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284401468 IINWQUBKEMLSQW-NSHDSACASA-N 403.331 1.887 30 10 HDEE C#CCN(CCOC)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316808207 DCYKMQJFEZZYIY-UHFFFAOYSA-N 406.504 1.754 30 10 HDEE C=CCN(CC(=O)O)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316823703 DOPBKRFNVXVIAU-UHFFFAOYSA-N 408.476 1.745 30 10 HDEE COc1cc2c(C=Nn3c(S)nnc(C)c3=O)c(C(=O)O)n(C)c2cc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c2ccc(C)cc2C)CC1 22760408 FGTHLQOUFFXGBV-QGZVFWFLSA-N 401.511 1.260 30 10 HDEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 33584348 CWCKUXRPDMCXIF-XQQSMPNESA-N 409.442 1.985 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccc(Cl)cc2)CC1 54709492 WKCPGQKJRBDGHX-SFHVURJKSA-N 406.914 1.354 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 78602579 ANVAVXLBZOMEEH-UHFFFAOYSA-N 424.542 1.882 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](c2ccccc2)N2CCSCC2)CC1 138246800 RMRCJOZKEGFTCA-FQEVSTJZSA-N 402.564 1.223 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1C 219945334 XIWXZHJSAOZEPO-SJLPKXTDSA-N 405.458 1.998 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 446623193 HTRSQMZBJUKKNR-CGZBRXJRSA-N 400.483 1.746 30 10 HDEE CCCNC(=O)CN1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462085809 BTDHZAJNFZXHGN-UHFFFAOYSA-N 410.482 1.251 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1 465673879 YLONTGPLLLXMLX-UHFFFAOYSA-N 402.476 1.687 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](c4ccsc4)C3)CC2)o1 468115928 BMPMMJRDEGIQAU-QGZVFWFLSA-N 401.492 1.638 30 10 HDEE N#CCCN(Cc1ccccn1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 505206917 HKNKLAUDXKHTKL-OAQYLSRUSA-N 417.469 1.800 30 10 HDEE COCC[C@@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 508085961 QSKMIAKTKIKDJB-INIZCTEOSA-N 401.510 1.068 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508503058 DYDMSRMAZUADOW-QGZVFWFLSA-N 419.551 1.851 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 508829057 XKVXPFLUVKLANK-UHFFFAOYSA-N 407.478 1.663 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(S(C)(=O)=O)cc2)c1=O 522674137 WIFVFIHDLKCHNR-UHFFFAOYSA-N 416.524 1.205 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)CC1 534830817 VRYRMKPSACJWTP-ICSRJNTNSA-N 419.957 1.715 30 10 HDEE Cc1cc(C#N)nc(NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)n1 570150349 YZHMZOQUCFTOJS-UHFFFAOYSA-N 400.527 2.346 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c1 579537693 WTQDOGDQSBAMBI-HNNXBMFYSA-N 423.441 1.082 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)NCCN1CCOCC1 580058059 SYIONWXVVLCLKJ-SQGPQFPESA-N 416.522 1.305 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)c(F)c1 586864765 BQQJVNYAXUDEGN-QGZVFWFLSA-N 412.396 1.764 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](O)C[C@@H](O)C2)n(Cc2ccc(F)cc2)c1C 610614899 XAGLXQGZPDMDIP-HDICACEKSA-N 400.454 1.530 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)n(C)n1 618200771 YBEFVEZIXZFQPB-LJQANCHMSA-N 422.537 1.932 30 10 HDEE N#Cc1cc(N)c(OCC2CCS(=O)(=O)CC2)c(I)c1 692790774 ITSRJDGRWUOUJX-UHFFFAOYSA-N 406.245 1.949 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 729051968 UVVNHBHYEQHBDG-INIZCTEOSA-N 413.526 1.140 30 10 HDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C\c2cnn3ccccc23)c1)S(C)(=O)=O 729823846 RZHBDVBEBDEZHV-KTKRTIGZSA-N 419.484 1.956 30 10 HDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732697383 XJYVMLWHWPKASB-HNNXBMFYSA-N 419.507 1.340 30 10 HDEE CC1(C)Cc2cccc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)c2O1 738010541 LVUFJHPZCVLEKL-KRWDZBQOSA-N 407.495 1.829 30 10 HDEE COCCNS(=O)(=O)c1ccc(CN[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 739990284 QDXFFOOUSQZOTC-IBGZPJMESA-N 417.487 1.487 30 10 HDEE COC(=O)[C@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 739990415 MHCVJTAPYFZFBK-QGZVFWFLSA-N 407.879 1.994 30 10 HDEE CC[S@@](=O)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 741420164 YBWFZBQWVKMSGM-MUUNZHRXSA-N 406.487 1.466 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CC[S@](C)=O)CC1 746472840 GYGBFABADPOFAZ-HPGBDJQBSA-N 406.552 1.326 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(-c3nnc(C)n3C)c2)cc1C#N 747495389 MFIXMJZGSNUSHM-UHFFFAOYSA-N 404.430 1.926 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2nc(C)c(C(=O)OCC)s2)CC1 756978915 QKRKWPMTPOFWHP-ZDUSSCGKSA-N 406.508 1.860 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC[C@@H](O)C(F)(F)F)c1 768971476 HLAWYJIYVXOVSA-TZIWFACNSA-N 422.429 1.934 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1=O 771242349 GJBGGWAZRLUZFJ-IERDGZPVSA-N 410.405 1.982 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 774229361 WANRDTIXLZCGNS-MISYRCLQSA-N 419.547 1.108 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](C(=O)O)C1 776691697 WPUOIILKEXATHF-CYBMUJFWSA-N 401.485 1.406 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 777859244 UZYOHTWHECKPCD-UHFFFAOYSA-N 401.448 1.642 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)cc1 779560060 UVLYLPQHCQPCAZ-UHFFFAOYSA-N 424.486 1.497 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 783264932 WPRBAXRFDBYAPZ-HNNXBMFYSA-N 407.471 1.299 30 10 HDEE N#Cc1cccnc1NCCNC(=O)C(=O)N1CCC[C@H](CN2CCCCCC2)C1 787786920 FKPFYCJOOUQOEP-GOSISDBHSA-N 412.538 1.596 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790808736 ROAXOYPFLUJSDE-RDTXWAMCSA-N 401.529 1.482 30 10 HDEE C=CC[C@]1(C(=O)Nc2cnn(CC(=O)NCCO)c2)CCCN1C(=O)OC(C)(C)C 790847967 DYHYVYHFHBXYSH-HXUWFJFHSA-N 421.498 1.276 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)N(CC)C(=O)OC(C)(C)C)CC1 792314181 IRIUNSZXUHXHBX-MRXNPFEDSA-N 411.547 1.261 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)N2CCC2)cc1 795300674 QUBZRTLOQJBHCQ-VLGSPTGOSA-N 400.526 1.642 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccncc1)n1cnc(C#N)n1 800334474 DQQCFAGTNPLYAS-GDBMZVCRSA-N 411.466 1.926 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C(F)F)C2)c1 801618807 ZVRROVWBBOCYCP-PKJRHQKLSA-N 416.450 1.997 30 10 HDEE C[C@@H](CC(=O)N1CC(O)(c2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 802621600 GFXMUYLPGQSRBP-ZDUSSCGKSA-N 417.462 1.373 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 804458312 CMDHSBFTFITZNG-OAHLLOKOSA-N 402.472 1.716 30 10 HDEE C#CC[C@@]1(C(=O)N2CCc3nn(CC)c(=O)cc3C2)CCCN1C(=O)OC(C)(C)C 809708931 LAIFGRLNCBSPMC-QFIPXVFZSA-N 414.506 1.941 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 811138474 MZZSBDSQMUMCLP-UHFFFAOYSA-N 404.448 1.311 30 10 HDEE CN1CC[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@H](c2cnn(C)c2)C1 849560215 YOZLFHZAEYIROQ-SFTDATJTSA-N 422.533 1.927 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921191523 ANXGICTZESOQRZ-KRWDZBQOSA-N 408.543 1.587 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cc(Cl)cc(Cl)c2O)n1)NCCO 1084527270 XMNDYXAMHCBKNU-UHFFFAOYSA-N 405.267 1.464 30 10 HDEE COc1ccc(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1C#N 1132547445 CVXPNNSTZDFMKL-UHFFFAOYSA-N 422.484 1.637 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@@H](C)C(=O)OC(C)(C)C)cc1 1142407594 ZAYOUPFSRNKVMZ-AWEZNQCLSA-N 406.504 1.933 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1143410633 XQSVOIRGQLLVIB-UHFFFAOYSA-N 400.416 1.677 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C#N)C1 1143955789 LRCPOORJILBBJU-ZWKOTPCHSA-N 402.495 1.763 30 10 HDEE COc1ccccc1[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCO1 1151655767 BKQBALIAUHOODP-IBGZPJMESA-N 415.471 1.445 30 10 HDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1158229516 BUYSOIFLBQCJCO-AEFFLSMTSA-N 402.476 1.243 30 10 HDEE CCNC(=O)NCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1159174353 BCKSOFWIKZSYSN-QGZVFWFLSA-N 415.494 1.828 30 10 HDEE N#C[C@]12CN(C(=O)CCOc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1179653029 UHHFLACWRPVARK-BLLLJJGKSA-N 413.293 1.615 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 1197819039 UATUZMWFFHWBTO-FQEVSTJZSA-N 423.535 1.684 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 1211915802 JFFXPLVCKGIQOA-SJORKVTESA-N 402.538 1.633 30 10 HDEE CN1CCN(C)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1226703153 MIXAIUZQRGXGGH-UHFFFAOYSA-N 400.527 1.532 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)OC(C)(C)C 1286359072 QBZVPONFZMIECN-UHFFFAOYSA-N 413.482 1.910 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C)n(C)c2=O)CC1 1286482481 SJBZVUGFFCSJGJ-UHFFFAOYSA-N 417.517 1.075 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1286726774 IOQKCYILEQTKOT-KRWDZBQOSA-N 417.535 1.600 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(c2nccs2)CC1 1286781643 WFBCVMMZTRECIK-UHFFFAOYSA-N 417.539 1.559 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286784425 HEJMTZYCSCRFIC-IPMKNSEASA-N 406.490 1.838 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CC)C1 1286792287 TZERWBCNYYGZCM-INIZCTEOSA-N 403.458 1.914 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](COC)C1 1286794002 SEQCCFJZSWIPSX-BQFCYCMXSA-N 407.515 1.167 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1290084700 FYOPRCAOJDPPHH-UHFFFAOYSA-N 402.432 1.241 30 10 HDEE Cc1nccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1290515007 CTQXZWMNNIDMKL-HOCLYGCPSA-N 405.528 1.514 30 10 HDEE C[C@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1291077331 ACPNNMRATJQFSW-YWZLYKJASA-N 415.519 1.603 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 1294722446 KPZGENZBQJQOPI-ZBFHGGJFSA-N 407.268 1.506 30 10 HDEE C#CCN(CC(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1)C(=O)OC(C)(C)C 1298065636 BFJFGHCNHOLFEG-MUUNZHRXSA-N 414.524 1.160 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1300471556 GJIVEBYUHIQQJW-UHFFFAOYSA-N 404.421 1.557 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300625344 FLMBQHORGHFTQM-HOTGVXAUSA-N 415.460 1.895 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1300683256 YFRNEXWHQWHAPY-UHFFFAOYSA-N 416.551 1.113 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(NC(=O)OC)c2)CC1 1300717032 WARNQGOGTKHGSW-UHFFFAOYSA-N 410.478 1.779 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCOC2)CC1 1300719739 OHPZYRGMKIIWPS-INIZCTEOSA-N 409.494 1.128 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300767650 CYSGCZAGIPSARZ-MRXNPFEDSA-N 422.580 1.129 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300886364 XHKYQWBFJVAOCP-VDCDIQELSA-N 420.510 1.123 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1301259399 LCLMSTVAJHOABV-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1301262608 XPUQIZPHTNYTNJ-UHFFFAOYSA-N 403.575 1.554 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 1301506229 HWTYPIPOAADAIS-UHFFFAOYSA-N 420.521 1.684 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)c1 1302875796 DAWISZWKXWUXBB-RBUKOAKNSA-N 405.458 1.685 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@@H]2COCCO2)c1 1302989060 HILDCCUZEYBPHO-CVEARBPZSA-N 423.395 2.000 30 10 HDEE C#CC[C@@]1(C(=O)N(C)CCc2nc(O)c(C)c(O)n2)CCCN1C(=O)OC(C)(C)C 1304050776 WTZKQSLCYBADBJ-NRFANRHFSA-N 418.494 1.990 30 10 HDEE Cn1c(=O)[nH]c(N(CCNC(=O)OC(C)(C)C)CCc2ccccc2)c(C#N)c1=O 1307119064 YAPHYBAVTSOLJK-UHFFFAOYSA-N 413.478 1.519 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C 1309079506 MYDCQQYXRCJYPE-GOEBONIOSA-N 424.544 1.358 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OC 1309574464 WZYDDEQAKXQVIC-MSOLQXFVSA-N 422.503 1.662 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 1312467648 AIUDIHALMUMODG-HIFRSBDPSA-N 412.450 1.253 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)nn1 1312824044 REBLHNCUNQHUGO-UHFFFAOYSA-N 423.477 1.833 30 10 HDEE CCn1cc(CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)cn1 1313843349 NDRSZGMCZJLQBO-UHFFFAOYSA-N 408.466 1.766 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1315964215 PMSDRZIDGCZOIJ-VXKWHMMOSA-N 424.505 1.463 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CSCCS1 1316097421 BAZXSVFLZPDMIB-CQSZACIVSA-N 412.585 1.631 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2=O)c1 1316529758 DMXJXGVOEQVPKX-LJQANCHMSA-N 419.489 1.948 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1316537651 FESAZQRAKVJYOV-MRXNPFEDSA-N 400.508 1.905 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1323756691 LYTJQIQITZEXAW-VYDXJSESSA-N 414.911 1.267 30 10 HDEE C=C[C@@H](COC)NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1324016460 PWZMBXZWIKUCMK-VIFPVBQESA-N 400.425 1.139 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1358912077 IQXVJPXNLOKYEL-GVDBMIGSSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1358963859 OZMIQKQXDOSLOW-WBVHZDCISA-N 420.560 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1359007844 YCHTXAMCNXFPGA-INIZCTEOSA-N 422.489 1.550 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCCC2)CC1 1359045617 NWQXTQGAWAZEPG-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCOCCS(C)(=O)=O 1359066524 FEYRMDYDRMMENR-LJQANCHMSA-N 406.508 1.900 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1359151178 OMHOOJNXWCQXGX-IHRRRGAJSA-N 415.947 1.598 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1359300881 LYAQBZCEXLGAQY-HTAPYJJXSA-N 411.506 1.491 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C3CC3)C2)nnc1[C@]1(OCC)CCOC1 1359305802 NARXWWGLSAPMKH-XPIZARPCSA-N 419.526 1.236 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1360487763 RFGAMKLAAKSTFN-RDJZCZTQSA-N 418.505 1.976 30 10 HDEE Cn1c(S)nnc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1443591288 OHJHTMWTLWHGII-BJCXPLBRSA-N 406.512 1.507 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)/C=C3/SCC(=O)N3C)c(C#N)c2N)cc1 1445160748 UDNWOPYQFQHDMM-VXLYETTFSA-N 410.503 1.730 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450337733 FNZFCAAYQDQSPE-IEBWSBKVSA-N 402.447 1.052 30 10 HDEE N#Cc1cc(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cnc1C(F)(F)F 1453718567 JIWPYMTWQULSJL-UHFFFAOYSA-N 416.406 1.879 30 10 HDEE COc1cccc([C@@H](CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)OC)c1 1453961788 KUJHJBICLRQQNV-GOSISDBHSA-N 417.487 1.923 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)CC2=O)cn1 1454672711 ACNGGPGABTXUPM-VGOFRKELSA-N 422.489 1.361 30 10 HDEE C=CC(C)(C)CCCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1455475658 DROVCCYPOSJUOH-UHFFFAOYSA-N 401.916 1.826 30 10 HDEE COC[C@]1(C(=O)OC)CCCCN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1461838354 PKVTUXZYBLBCMK-NRFANRHFSA-N 413.478 1.721 30 10 HDEE N#C[C@]12CN(C(=O)CN(C(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1463163500 NXQTYJBAHPMRRJ-PGRDOPGGSA-N 423.494 1.730 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1470062747 NVVSTROMLHYUEU-CQSZACIVSA-N 401.488 1.882 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CCC3OCCO3)C(=O)OC)n[nH]2)c1C 1471373743 NAFPANJSKCHELV-CQSZACIVSA-N 417.466 1.501 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 1471983957 LYIOYGBFOSULRL-OAHLLOKOSA-N 424.486 1.095 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(Cc3cccc(F)c3)C(=O)C2)c1 1473172731 RHGNWVDAJYTARA-UHFFFAOYSA-N 408.433 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1475245674 AIHLHHFCYPRBSP-OAGGEKHMSA-N 404.529 1.523 30 10 HDEE CC1CCN(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1494072605 CWRUSFHJBGPUPI-JKSUJKDBSA-N 411.576 1.359 30 10 HDEE CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1500489847 BMRSMVYIOBORRT-QAPCUYQASA-N 410.544 1.541 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(C)c1C 1504409385 BNSACTZPPLZSKE-SFHVURJKSA-N 407.478 1.697 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1COC 1504998716 KHOSAVUEEAVLGS-LPHOPBHVSA-N 415.494 1.926 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1505130368 GEXPITURKLBCTB-KRWDZBQOSA-N 403.508 1.889 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1507642783 MRLSCZIDYNCKFB-QZTJIDSGSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1507679258 SRRSZOKDMSDGPR-JOCHJYFZSA-N 411.506 1.731 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](C)COC)CC1 1507723183 YRFYOWOXFFCHGW-QGZVFWFLSA-N 411.506 1.754 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC2CC2)CC1 1507724826 KBHWDVXIUAQJOC-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCOC)C1 1507753334 FGJDFYISJDCOLA-CVEARBPZSA-N 407.540 1.227 30 10 HDEE C=C(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1507835007 GDEDHJMPIXFSJA-FQEVSTJZSA-N 400.483 1.163 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1507983415 QFIODUUGXUQYIY-KRWDZBQOSA-N 421.523 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1508135651 MWINKPGZWNQDFZ-UHFFFAOYSA-N 409.556 1.559 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508847239 ZJZFJABHTACANG-YADHBBJMSA-N 408.506 1.940 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1509018742 CGEMKAONBPIOAU-QGZVFWFLSA-N 400.458 1.628 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1 1511604785 FVTWUPGZHRUESU-IBGZPJMESA-N 402.478 1.844 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1515900458 DVXBOSVNOVNDPT-LAUBAEHRSA-N 414.533 1.752 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCC[C@H]1C 1516592753 RKVVUSGDEUVUKH-GOSISDBHSA-N 424.553 1.892 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1519390542 VSEGHRBNRHWCKU-HNNXBMFYSA-N 411.466 1.681 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1519449144 KYNXBZCIGPAVOD-HZMVEIRTSA-N 407.515 1.792 30 10 HDEE COc1ccc(OCC(F)(F)C(F)F)c(C(=O)NCCn2cnc(C#N)n2)c1 1520763784 GXTHBCDPAHJEPJ-UHFFFAOYSA-N 401.320 1.868 30 10 HDEE Cc1cccc(CS(=O)(=O)CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1532112200 AFUDLHBDKYGJMK-UHFFFAOYSA-N 417.491 1.370 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1537882172 NZAZIIMNUIAAHH-GOSISDBHSA-N 414.506 1.319 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1538982239 BYUHOOCCEXYQJH-OAHLLOKOSA-N 400.479 1.962 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539072194 MXINBXFHKPTLMV-DLBZAZTESA-N 409.556 1.494 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1539215797 JIBKTRFMIGWTLR-OAHLLOKOSA-N 420.564 1.505 30 10 HDEE C#CCN(c1nnc(CC)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539221231 ZACONZCIXZZJEH-GOSISDBHSA-N 401.536 1.604 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1539368975 GCVGXMYCVLSZEP-SQNIBIBYSA-N 415.517 1.588 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539417743 RVOMAUFIPGWOFS-SIKLNZKXSA-N 411.506 1.688 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1539611830 FIWBWGYNUYUSND-OAGGEKHMSA-N 418.498 1.038 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1540013139 LJAPOHWVXOIHLS-AWEZNQCLSA-N 423.564 1.859 30 10 HDEE O=C([C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1543704633 UKIFJFWNNHEICM-DTWKUNHWSA-N 414.343 1.254 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1ncc(C#N)cc1Cl 1544093451 UXOKOLNWOCVXLI-UHFFFAOYSA-N 402.794 1.770 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1548266606 GUTNURCXHXDMEI-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 1557986860 AHYMURMQLDONIJ-UHFFFAOYSA-N 408.411 1.483 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@@H](C)O)CC1 1557999213 VKKJNWYMQFXJBC-RHSMWYFYSA-N 407.536 1.903 30 10 HDEE C=CCC1(O)CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1558422296 ZTDBPIXCEJHPFU-HNNXBMFYSA-N 416.540 1.340 30 10 HDEE CC[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1558441639 BGDBZWITFYVVKO-CQSZACIVSA-N 423.535 1.989 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nn3cc(-c4ccccc4)nc3s2)CC1 1559266165 RCDNYZXOVFLLFA-UHFFFAOYSA-N 402.505 1.047 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1F 1561846350 GWDLVBVSKCYGFO-UHFFFAOYSA-N 418.516 1.197 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 1569003667 IFXQPDZQIPTQBF-SGTLLEGYSA-N 414.443 1.089 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1587852249 UBBIMBOOXNGLMJ-OKZBNKHCSA-N 400.527 1.190 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1588035281 QOMDIHVQKHHIQG-VQIMIIECSA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588054306 NEPABIUZKKXLAS-QZTJIDSGSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1([S@](C)=O)CC1 1588620540 WZOFJCZLIDQKOU-NDEPHWFRSA-N 402.520 1.951 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H]1C 1589546355 PUIOUJQEQQLANV-HZMVEIRTSA-N 410.540 1.387 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589557376 HQBMUCYPFJLEGC-GHTZIAJQSA-N 416.570 1.422 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](COC)OC)CC1 1594182289 WXIJUCKAMTYCGE-INIZCTEOSA-N 400.483 1.989 30 10 HDEE C#CCN(CC(=O)N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)C(=O)OC(C)(C)C 1594573461 ITBAAZTXHWUUHZ-HNNXBMFYSA-N 404.463 1.950 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1595428696 YYDJDFKXZRLQJU-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc3cccnc23)nnc1N1CCOCC1 1595777856 RUDGYWFISCDBFM-UHFFFAOYSA-N 413.503 1.931 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595900603 GTAODUAIACIQLL-MRXNPFEDSA-N 422.555 1.500 30 10 HDEE C=CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1595906190 ZNLNGCJLZXZRGT-FQEVSTJZSA-N 423.583 1.812 30 10 HDEE N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=O)c5ccco5)CO[C@@H]34)n2)c1 1616131069 DDEMLBVZHRWBRV-CUDHKJQZSA-N 417.425 1.985 30 10 HDEE C#CCOCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1616933398 REHADWZXAOPEOY-GXTWGEPZSA-N 406.401 1.406 30 10 HDEE Cc1cn(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1C(F)(F)F 1618731892 PGODNCMAUXJDAD-OAHLLOKOSA-N 405.380 1.999 30 10 HDEE COC1(C(F)(F)Cn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1619015857 JKQNPPRNBOTKPK-HNNXBMFYSA-N 411.453 1.790 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1620024372 HRBAFHSMKLJNNA-KXBFYZLASA-N 413.478 1.809 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1626098539 LBEQEPCPJHQXMS-KRWDZBQOSA-N 423.535 1.820 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1)C(=O)OC 1626208156 KJECYKLDIQFTSW-KFWWJZLASA-N 413.268 1.782 30 10 HDEE CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1627353472 NVVVRUROUMIBAW-LTWWHTJUSA-N 422.551 1.763 30 10 HDEE Cn1ncnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1627589676 IYWGSZDVOMFTGL-RDYUPDBUSA-N 402.499 1.651 30 10 HDEE COC(=O)C1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1630746409 QWGLMVGKBGGHJO-CHWWFWEZSA-N 421.494 1.300 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@H](C)O)CC1 1632462891 VKKJNWYMQFXJBC-WMLDXEAASA-N 407.536 1.903 30 10 HDEE CN(C)CCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 1635119998 FYUVGVLJYOLNIR-QGZVFWFLSA-N 420.535 1.244 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CC[C@@H](O)C1 1635169457 GOKNUHGKJNFDEU-CYBMUJFWSA-N 412.284 1.281 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)CC1 1636488152 OPVUMDKLOPRCEY-CYBMUJFWSA-N 409.936 1.516 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1637901999 IXOGRNRRHAWSJI-MGPUTAFESA-N 404.467 1.403 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCCN3CCN(C(C)C)CC3)CC2)c1C#N 1638688674 CTSYBTIDBYRQBD-UHFFFAOYSA-N 401.559 1.055 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCC(C)(C)CO)nnc12 1638745341 ROVNTRPYGGWRLH-UHFFFAOYSA-N 415.519 1.847 30 10 HDEE N#CC1(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCCC1 1640672920 YXYZEAMNUMQYJI-UHFFFAOYSA-N 407.492 1.716 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1640924427 LTKALOSIYVGAFE-AEFFLSMTSA-N 418.465 1.134 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(O)C1=O 1641379401 XKZDFCKRHHEALS-CVEARBPZSA-N 402.451 1.710 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NCC34COCCN3CCOC4)c2)c1 1641696881 JMPMSQPUHHVHJW-UHFFFAOYSA-N 407.470 1.968 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1642430195 HUUXDPWPCWZJPS-CQSZACIVSA-N 404.410 1.625 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2S(C)(=O)=O)c1 1642872238 HYWVCMHNXSVGCK-UHFFFAOYSA-N 405.497 1.817 30 10 HDEE CN(C)CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1=O 1643674334 ZCMRJFCYEJNOHT-UHFFFAOYSA-N 403.552 1.533 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CCCN1C(=O)OC(C)(C)C 1643827676 VHTLWGOBHLKOSP-YWZLYKJASA-N 405.499 1.529 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@H](O)CC3(C#N)CCC3)C2)C(=O)C1 1645344799 PWNDIZDZKASOAK-QZTJIDSGSA-N 420.554 1.975 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1653056397 BSIQAZRBMGWFJP-DNZUHHBVSA-N 406.483 1.666 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4ccccc4Cl)CCOCC3)C[C@H]1CS(=O)(=O)C2 1653072984 PJRDKQZILJJFEI-KBXCAEBGSA-N 408.907 1.785 30 10 HDEE CO[C@H]1C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)Cc3cccnc3N2C1 1654503611 ODLSWUGLPFZBBD-MOPGFXCFSA-N 412.515 1.836 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(C)c2C(F)(F)F)n1 1655207593 TUTUJFTWDMYAPI-UHFFFAOYSA-N 405.402 1.106 30 10 HDEE C=CCc1cc(CNS(=O)(=O)C[C@H]2CCCS(=O)(=O)C2)cc(OC)c1OC 1659833953 RRPPDJAJIHVELP-AWEZNQCLSA-N 417.549 1.677 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1660072495 NQURZZYTKOJOHO-INIZCTEOSA-N 420.535 1.651 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 1664018830 COQRJWHEBLCQNZ-UHFFFAOYSA-N 407.540 1.679 30 10 HDEE CN1C(=O)NCC12CCN(S(=O)(=O)c1cccc(Br)c1C#N)CC2 1664019520 CMKXPJQMOHFDFK-UHFFFAOYSA-N 413.297 1.499 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C4CC4)[C@H](C#N)C3)c(Cl)cc21 1664961929 XYLGNPLVWWPMTJ-OAHLLOKOSA-N 408.911 1.610 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)Nc1cccc(OCC#N)c1)C1CCCC1 1667307705 BTQQXLDMKGZAGK-QGZVFWFLSA-N 409.512 1.665 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([C@@H](C)NC(C)=O)s1 1670200417 KLOROLCULVGCHW-GFCCVEGCSA-N 400.522 1.911 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3F)on2)CC1 1671316091 PVUVFXDDZDXSIZ-UHFFFAOYSA-N 407.427 1.098 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1673653196 NVBBTUBWKJLZOD-PMACEKPBSA-N 400.523 1.774 30 10 HDEE CC(C)(CNC(=O)NCC#CCO)S(=O)(=O)c1ccc(Br)cc1 1683602144 IPGMUTXQYPCVRB-UHFFFAOYSA-N 403.298 1.296 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1685634799 ZEZGIWDWYUDYEI-ZACQAIPSSA-N 404.511 1.698 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1686084116 HVTRHHICDKLKPC-LAUBAEHRSA-N 414.462 1.417 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689887192 RZKHNAUHXLMOJU-UHFFFAOYSA-N 416.551 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCOCC1 1690025342 MYZNNDRLQPVBIM-UHFFFAOYSA-N 421.501 1.255 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCNC(=O)C1 1690306477 VFXIMDRTOUEMRU-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690458807 KDGXBWRXAUELBH-UHFFFAOYSA-N 414.558 1.682 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690667013 NVSXGFSUNPUEED-UHFFFAOYSA-N 410.522 1.942 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690672776 CTGNBGIFYIVLQV-PKOBYXMFSA-N 413.522 1.720 30 10 HDEE CC(C)SCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1692625084 CIXJEADDGMTDLB-CQSZACIVSA-N 401.496 1.796 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1(C)C 1697679046 VMYAZDVIWCEGPS-QGZVFWFLSA-N 407.482 1.755 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@H]2CCCO2)CCO1 1698494602 XIWFSNITULIAQK-KZNAEPCWSA-N 405.499 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1705479047 IPJVICWSNBCIBU-AVRDEDQJSA-N 419.570 1.887 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705533571 OYAWUTRFCHMDOA-SFHVURJKSA-N 421.480 1.980 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1705534045 XKCMIAVADMDOJT-QGZVFWFLSA-N 414.535 1.847 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)C1CCCCC1 1705620989 MZHBDPPIIVPYIG-NRFANRHFSA-N 405.543 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2ccnc21 1705630012 CJWKIJFRZWLHGZ-KRWDZBQOSA-N 411.510 1.261 30 10 HDEE C#CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705665177 MDOUHVAESZFAIW-VQTJNVASSA-N 421.567 1.387 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705709928 UAFWKCWIMFIMCB-LNLFQRSKSA-N 407.515 1.137 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705810428 YOWXONMAHXNZLG-HNNXBMFYSA-N 401.471 1.750 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908892 XNCHBIWQUHRGGR-JXFKEZNVSA-N 407.515 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705934606 QWKONNNCGVBVTK-ZDUSSCGKSA-N 404.558 1.016 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 1705948000 FPNTZJRWFYPBHO-UHFFFAOYSA-N 406.556 1.282 30 10 HDEE CC(C)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706288077 PRXJIEKKPLBHCW-MEUCICPISA-N 414.510 1.933 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1708322033 AIEOAZOWKJBPQS-OAQYLSRUSA-N 419.493 1.489 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710704214 BVFJZRMRLYJPLP-LTRYHMRKSA-N 424.452 1.823 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCC2(O)CCOCC2)cc1 1712878481 FWJIIFYPGIUTCA-UHFFFAOYSA-N 424.505 1.450 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1722317313 SGOMZXZXWGPLNN-KRWDZBQOSA-N 421.567 1.432 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1722322193 OYBKSWSESZFKBM-KRWDZBQOSA-N 415.542 1.412 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCN(C(C)=O)C1 1722373709 LUXMHDJGAFVTOO-IEBWSBKVSA-N 401.511 1.333 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC(=O)N1 1722392262 JFRFDGAVQBDZOT-QGZVFWFLSA-N 405.458 1.458 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@](C)(O)c2ccccc2)CC1 1722436832 LSMJVCZWDCFNBQ-XXBNENTESA-N 422.533 1.282 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@]1(OCC)CCOC1 1722704312 QNEGOFCQFGRNON-QFIPXVFZSA-N 424.505 1.740 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722737991 YOQVGGZINBGXQV-DNVCBOLYSA-N 404.540 1.982 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722975480 ZBVSBSNAALHDPX-DLBZAZTESA-N 415.542 1.611 30 10 HDEE CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1728537062 DOYCTCPSTGHBOL-QFBILLFUSA-N 417.539 1.575 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1 1740531753 SBKNVXXDDGYTNT-CQSZACIVSA-N 407.434 1.293 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1740558896 VSADRCFDLWOROH-QLFBSQMISA-N 403.508 1.267 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1740559339 LYIKNSRVHXOEFT-GCKMJXCFSA-N 400.479 1.864 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740628309 XCWKDZCHRSTKIZ-KURKYZTESA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1snnc1C 1740635322 UYKQVSZXANHBPC-UHFFFAOYSA-N 406.471 1.997 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1740887627 BCNNZPQVDZJIGE-UHFFFAOYSA-N 417.514 1.621 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1)C1CC1 1740906535 PLKUALLVFFMWKN-HUUCEWRRSA-N 419.555 1.502 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1740960861 DNUIHLQWNWPBNP-UHFFFAOYSA-N 402.543 1.618 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1740996090 GCAITLMRYPKOHZ-CYBMUJFWSA-N 403.574 1.423 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1741199065 LCIVONPJQZNCPU-SJLPKXTDSA-N 413.526 1.996 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2COCCO2)C1 1741987431 CEYVIYULNCDLAG-UZLBHIALSA-N 402.499 1.336 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1748655996 JNSWRDSNGSQDBI-CYBMUJFWSA-N 423.926 1.391 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1748698069 QBPOLSONLHZEED-FQEVSTJZSA-N 419.551 1.333 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748775843 XXKSKWBYLXAFJX-FQEVSTJZSA-N 419.533 1.829 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748816100 WWHXTWSGORACOO-FUHIMQAGSA-N 422.551 1.716 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749266813 LVEBUTHUPWOFJJ-KBPBESRZSA-N 408.890 1.745 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1749457592 SMSUIIUTZUIWRG-GJZGRUSLSA-N 400.487 1.292 30 10 HDEE COCC[C@@](C)(O)Cn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749609945 JAXWJNZKRKKVBG-OAQYLSRUSA-N 412.494 1.868 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)C1 1749707958 YAYIWRUHGMUJGA-MRXNPFEDSA-N 418.523 1.341 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1)N(C)C 1751128356 AQOFBGDPQCIUCI-DNVCBOLYSA-N 422.537 1.807 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1760095398 NWKJYZURFQPQTP-MRXNPFEDSA-N 400.527 1.811 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1760112935 NXOFEMIZKBPJMH-HZPDHXFCSA-N 418.542 1.939 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760327345 GKXTURVUCKEAMF-RIFZZMRRSA-N 405.499 1.827 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760348955 SMMHSAQJMCLRFV-SFHVURJKSA-N 413.526 1.283 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760438418 GYLHNVUPCYUNMS-INIZCTEOSA-N 411.572 1.999 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1COCCO1 1771292316 IUAXVOONPCZGIX-BZSNNMDCSA-N 419.526 1.938 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CC(S(=O)(=O)c3ccc(F)cc3)C1)OCO2 1851470441 DDQUZURDPMNHGV-UHFFFAOYSA-N 402.403 1.653 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3ncc(C(F)(F)F)cc3C#N)C2)cc1=O 1852313208 PDNNMBZXHUMXDR-LLVKDONJSA-N 406.368 1.921 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(C)n(C(C)C)n2)C1=O 1853789795 OIOOAFOBTQLOTG-MSOLQXFVSA-N 401.511 1.622 30 10 HDEE CC(C)n1cc(CN(C)[C@@H]2CCN([C@@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065089 IAUBHZUXSKELHK-RTBURBONSA-N 400.527 1.791 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1=O 1854290152 FUFCDNJERCQNDO-SFHVURJKSA-N 408.437 1.439 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CCOCC4)C(=O)C3)C2)c(F)c1 1854354082 DVZOKDCNJBPBMP-IBGZPJMESA-N 414.481 1.369 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2=O)CC1 1854724357 CRPDATUGASWCQZ-JKSUJKDBSA-N 402.520 1.758 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855033956 REAKHWHHEGYWMN-HNNXBMFYSA-N 415.519 1.736 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(COc3ncccc3C#N)CC2)CCC1=O 1855573966 IVDXRVKIQBJLMA-SFHVURJKSA-N 414.506 1.846 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COc1ncccn1 1856096189 ZONDJJRAJMPYSL-UHFFFAOYSA-N 416.459 1.168 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1=O 1856338358 QWLFGWOGVHIUSI-CVEARBPZSA-N 408.499 1.375 30 10 HDEE CN1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)[C@H](C2CCOCC2)C1 1856359402 VYDNZDPHHQCYCX-RXVVDRJESA-N 410.518 1.590 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1(C)C 1856392973 UENIBHQZCUQWSH-AWEZNQCLSA-N 416.547 1.794 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3ccncn3)C(=O)C23CCCC3)cc1 1856602675 ISHIVOIFPIUMIF-UHFFFAOYSA-N 403.442 1.828 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C1=O)[C@@H]1CCN(C)C1=O 1856741761 VOJNLWLZDHGCAR-JKSUJKDBSA-N 422.526 1.090 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(c4cnco4)CC3)CC2=O)CC1=O 1856962134 AKXCARKHWKYXFA-WBVHZDCISA-N 400.479 1.264 30 10 HDEE CCOc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857018287 HMLOXHAYDUXKDR-QGZVFWFLSA-N 419.503 1.639 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857070141 IDJMYZLKDZWTCJ-AWEZNQCLSA-N 415.446 1.900 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC(C)C)nc2)C1)[C@@H]1CCN(C)C1=O 1857236686 KKSBACFFABSXCT-FUHWJXTLSA-N 414.506 1.576 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1857267076 VCEIKCVLKDDUGZ-CQSZACIVSA-N 411.430 1.660 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nc4c(s3)CCC4)C(C)(C)C2=O)CC1=O 1857315189 KVLIAKJCKQIWPF-CQSZACIVSA-N 416.547 1.616 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C(=O)C2)cc1 1857371862 UWUYJBWKUGNUBA-UHFFFAOYSA-N 410.865 1.309 30 10 HDEE Cc1cc(C(=O)N2C[C@@H](CN3CCN(c4ncccc4C#N)CC3)CCC2=O)no1 1857382279 BMNVWOZMMZEVRM-MRXNPFEDSA-N 408.462 1.451 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccc(C#N)cc3)C(=O)O2)CC1 1857471052 RIQRMPCOWZWEHF-SFHVURJKSA-N 419.503 1.900 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccccc2F)CC1 1861182311 OYDZCLQCYIFNNF-GOSISDBHSA-N 404.486 1.090 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CCC)nn2C 1865225358 VMCGWPIEDJDHBA-GOSISDBHSA-N 424.501 1.835 30 10 HDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1F 1870109086 IRWWVSGESPJMBK-ZDUSSCGKSA-N 414.441 1.931 30 10 HDEE CC(=O)Nc1ccc(-c2nc([C@H](C#N)C(=O)CN(CCO)CCO)sc2C)cc1 1872800802 WBHWQZDLQCJUJO-QGZVFWFLSA-N 416.503 1.540 30 10 HDEE COC(=O)CSc1nnc(C2CC2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874521111 BVXXEWFJLPWBOM-QGMBQPNBSA-N 419.419 1.982 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1880978893 UUVVJIMEVLCZMZ-ILXRZTDVSA-N 402.403 1.623 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 1891833446 HUDNRMJMWPRANN-CQSZACIVSA-N 401.400 1.591 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](CCS)C(=O)O)[C@@H](C(F)(F)F)C1 2123764254 ADIIXVUINWWDJJ-GUBZILKMSA-N 400.419 1.921 30 10 HDEE C=CCC1(C(=O)N2CCCC[C@@H]2CS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2181120552 PQIVPBQNUJLUPE-CQSZACIVSA-N 401.529 1.469 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@H](C(F)(F)F)C1 2186676178 NMBPDWYNORKSTB-RYUDHWBXSA-N 412.434 1.560 30 10 HDEE CO[C@H]1CC[C@H]1CS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2239413442 USOILNDZIGNDFB-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE CON(CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243394464 IENJZXYGKKGXQM-UHFFFAOYSA-N 410.280 1.237 30 10 HDEE CN(CCOCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243405245 BWUUOZXVMSCIRH-UHFFFAOYSA-N 400.288 1.403 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2243416807 JKENUNHBMRYTOA-UHFFFAOYSA-N 415.324 1.831 30 10 HDEE C[C@@H](CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243419323 WOFHKFBCVNWXKH-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE Cn1nc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247817657 OXNCHYXJKLTOFY-QWHCGFSZSA-N 420.319 1.362 30 10 HDEE Cc1c(C(=O)N2CC(N(C)Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255540137 JIHUPIRQBWLGDR-UHFFFAOYSA-N 424.354 1.984 30 10 HDEE CC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CSC1 2267412846 SDDTVTSJVXOHKC-UHFFFAOYSA-N 404.388 1.615 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(S(C)(=O)=O)C3)c2Cl)OC1(C)C 2267568428 IHVKMTGMIIRWOB-UHFFFAOYSA-N 405.734 1.570 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(C#N)CCSC3)s2)OC1(C)C 2267715190 TYSUBDBFKGEXSF-OAHLLOKOSA-N 400.356 1.725 30 10 HDEE CN(Cc1cnns1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267722125 UTGWPCXUSDSXNL-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE COC(=O)CCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282310625 WWSRWGOVLDRHNO-UHFFFAOYSA-N 423.749 1.884 30 10 HDEE CCN1CCC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282329417 LWZOVCYOHHWJRA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C 2282351396 ZWARBJCABKRIED-VWLOTQADSA-N 405.351 1.304 30 10 HDEE CC1(C)C[C@@H](CO)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282420366 XYVAMSOTYUBGLT-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501276 VHWNJLKFSDEEOR-AAEUAGOBSA-N 402.347 1.381 30 10 HDEE C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502551 MVDQDAAHQBLOPT-NVBFEUDRSA-N 401.721 1.687 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@H]3CO)ccc2Cl)OC1(C)C 2282506251 POVJXTBSWSASOH-NHYWBVRUSA-N 401.721 1.688 30 10 HDEE COC[C@@]1(O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282629345 URRYCPQRDPEUHC-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE C[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C1CNC1 2282836506 KYYWSWFISXTKFS-NSHDSACASA-N 400.737 1.525 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H](O)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282839246 AWRJVEDYVUEVPG-RYUDHWBXSA-N 401.359 1.793 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]1CC(=O)O 2284393417 KMAKJDUSNFMFOG-NSHDSACASA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@]3(C(=O)O)CC3(C)C)c2)OC1(C)C 2284393947 RNDAVCXXOMLZKQ-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](C(=O)O)C2)OC1(C)C 2284394480 YRQIJMHESZVVLW-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@@H]2C(=O)O)OC1(C)C 2284409501 JYNINRDFBWRUFA-JQWIXIFHSA-N 401.315 1.579 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)O 2284413313 JGVYZYZYJOBXGY-NXEZZACHSA-N 403.331 1.743 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2302857450 SREHEOJAJYBATB-CQSZACIVSA-N 413.283 1.835 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N3CC[C@H](C4OCCO4)C3)cc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c1ccc(C(F)F)nc1 2365767427 RCBQKCKLJFXMCP-CYBMUJFWSA-N 402.419 1.878 30 10 HDEE N[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](O)c1ncc(Br)cc1Br 2367291208 PFWHLGMECQCBKB-ODKJAPNWSA-N 402.086 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)CCOCCNC(=O)OC(C)(C)C 2367789153 CLYWEFHKUSIEFF-MRXNPFEDSA-N 402.557 1.867 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367792016 LADVCTVRABHFGN-MAUKXSAKSA-N 401.525 1.782 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]([C@H](N)C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC1 2367798159 PSPLULZDKGFMFV-OWCLPIDISA-N 400.541 1.462 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367803701 MUIFEWAWLDPABT-QAPCUYQASA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CO2 2368965389 BYIULKJMIAWYHH-XMDUPGNXSA-N 401.525 1.494 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369961292 SCSFBTHGELMSKX-VIFPVBQESA-N 423.749 1.682 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(OC)cc2)c1 6433950 CNZZRIWQJMTOHI-UHFFFAOYSA-N 418.471 1.633 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 27903397 PJTCQBJUFZPMOO-GOSISDBHSA-N 413.522 1.250 30 10 HDEE CN(C)C(=O)c1ccc(C#CCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 96348370 ZQAQWZNWAHZNKT-UHFFFAOYSA-N 413.499 1.420 30 10 HDEE C#CCN1C(=O)[C@@H]2[C@H](c3ccccc3C)N[C@@](Cc3ccccc3)(C(=O)O)[C@@H]2C1=O 248063892 FDHMNFFVQPFIFF-AZXNSQLWSA-N 402.450 1.940 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 410071310 RRNWVRGCBOSQHC-MRXNPFEDSA-N 418.471 1.925 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(CN2CCc3ccccc32)CC1 410129844 HJPNSZDLVHGAAZ-UHFFFAOYSA-N 406.552 1.868 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 442276670 QMALFTGYZDPNFT-SFHVURJKSA-N 422.441 1.389 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 442978633 DBPKAPBSMYGLGG-YOHUBWIESA-N 409.552 1.542 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1Cn1ccnc1 443007184 LXAMPTXKEGPPEN-INIZCTEOSA-N 423.502 1.492 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(F)c2)CC1 447820758 HMNHQDONOWINHQ-UHFFFAOYSA-N 409.405 1.453 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)CC1 460538607 JOTVZGVZTUTION-UHFFFAOYSA-N 418.567 1.913 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 461286160 CILMDFJQZBMHJR-UHFFFAOYSA-N 416.507 1.919 30 10 HDEE CN1CCN(c2ccc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)cn2)CC1 462103256 NPHGTTIFKRCEEB-UHFFFAOYSA-N 417.477 1.607 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1nnc2n1CCCCC2 480121115 QRGBGNHNYNKLGO-ZIAGYGMSSA-N 416.507 1.420 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cc3)C2=O)C(C)(C)O1 480425350 LWPCXHMVWYOSKS-IBGZPJMESA-N 405.476 1.600 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 482249410 OTTNEBMGXHJRTC-SJORKVTESA-N 413.478 1.720 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 486649371 GROMQKKGCSYHFH-UHFFFAOYSA-N 420.601 1.385 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)n2ncnc2n1 500692476 BENHMLIEMCGUPI-UHFFFAOYSA-N 415.454 1.096 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCC(C)(C#N)CC3)CC2)cc1 506012233 INRZXSZFHJHSNZ-GOSISDBHSA-N 418.563 1.842 30 10 HDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507289051 CWBUWMZHJCCZQH-HRAATJIYSA-N 406.527 1.403 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](NC(C)=O)C1 508818224 RDQQONRDDRGJRY-SFHVURJKSA-N 410.526 1.743 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c3c(nc4ccccc24)CCN(CC)C3)CC1 512710642 WYAPCOMBCNFUBP-UHFFFAOYSA-N 421.545 1.673 30 10 HDEE CO[C@@H](C)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 525411512 UAUNRQRYHXBGNW-KRWDZBQOSA-N 422.551 1.136 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N(CC)CC)cc21 526845629 RJLHKNHMYYLGNN-GMYLUUGSSA-N 406.504 1.786 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)CC2)o1 527004888 NEJUZTMBLJLYHF-UHFFFAOYSA-N 421.523 1.144 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 549725031 XCDZKHFEOJBUTA-CQSZACIVSA-N 423.564 1.717 30 10 HDEE Cc1cc(CS(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)no1 573692350 GQGJJKARZJJQIN-UHFFFAOYSA-N 403.420 1.755 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CC1 577523522 WUPYLBYNAXCOGK-UHFFFAOYSA-N 413.522 1.811 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 582144280 FPRWXUCVLMBTAB-MRXNPFEDSA-N 404.536 1.453 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 610531463 QXBTWKZRMNVDLV-UHFFFAOYSA-N 422.413 1.342 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 619743069 IWAZBAAOAZJDAZ-DYESRHJHSA-N 419.533 1.992 30 10 HDEE CCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671233 SCXCFEAWHQZOEL-UHFFFAOYSA-N 409.515 1.243 30 10 HDEE N#C[C@H]1CN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CCN1C1CC1 732664285 GOYLQMBSLZZHJX-KRWDZBQOSA-N 408.437 1.358 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 738904573 HYJFOGIWACLHIW-NNLSSIJJSA-N 422.507 1.916 30 10 HDEE Cc1nc(=NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n(-c2ccc(C#N)cc2)[nH]1 740691858 ZFEPRXUHOXKMTP-UHFFFAOYSA-N 413.441 1.986 30 10 HDEE C[C@H]1NC(C(=O)NC2CCN(c3ccccc3C#N)CC2)=NN(c2ccccc2)C1=O 742194092 QLKUQQKXUZODHX-MRXNPFEDSA-N 416.485 1.982 30 10 HDEE COC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCCC2 746036566 ALYISRJQOYCUFK-ZDUSSCGKSA-N 416.503 1.551 30 10 HDEE CC[C@@H](C#N)OC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 753422620 XQLRJNLKEVMNLX-LBPRGKRZSA-N 403.254 1.648 30 10 HDEE C[C@@H](C#N)CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CC1 754175368 PQIXJGPPAWKDRZ-AWEZNQCLSA-N 400.504 1.998 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 763167045 ZVJBTXKEDZMGSB-FUHWJXTLSA-N 420.922 1.995 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1 764032421 JRDUBMBTUKDIEW-UHFFFAOYSA-N 418.475 1.805 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)cc1 767159417 JHOOXYNDIFJHFB-ZDUSSCGKSA-N 411.480 1.173 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2noc(-c3cccc(F)c3)n2)c1 773213901 IDPHSUZEIWGNBB-UHFFFAOYSA-N 414.418 1.717 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 776247736 VZWHTGDDLWFDBZ-AWEZNQCLSA-N 419.425 1.397 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)O)c1 776604149 ZFJJFMYNEFFTEB-AWEZNQCLSA-N 417.281 1.869 30 10 HDEE Cc1cn2c(n1)CN(C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 782819614 UXKCYUHTGIXCLB-INIZCTEOSA-N 415.519 1.687 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 783303531 OTGMVBUEUSCFRL-INIZCTEOSA-N 415.537 1.203 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@](C)(C#N)C2)c(NS(=O)(=O)C(F)F)c1 784422185 UQFXRVGMZJZQLG-OAHLLOKOSA-N 423.463 1.974 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3ccccc3C)C2=O)n1 788369445 HIMHEVYCPGUAEU-JOCHJYFZSA-N 409.490 1.698 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)n1 788694857 YXSAAVRYHVERRI-UHFFFAOYSA-N 410.427 1.709 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NC(=O)N2CCCC2)[C@H](C)CC)n1 790104563 QJXHDCOCOGPLNT-MJGOQNOKSA-N 403.527 1.711 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccsc2)C1 790741358 HEFWROYPYMOIDN-STQMWFEESA-N 409.537 1.620 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 797694966 JFWQTKLXIJOVPA-FTRWYGJKSA-N 406.504 1.397 30 10 HDEE Cc1cc(COCC(=O)NS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)on1 802246699 FIQASBDBRSYIHU-UHFFFAOYSA-N 403.338 1.895 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(F)c1 804155803 IJTPASNWTPCHLP-UHFFFAOYSA-N 424.432 1.795 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)c1ccc(Cl)cc1 810473695 HADHNBRQDATEFB-QGZVFWFLSA-N 419.890 1.818 30 10 HDEE C#C[C@@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 812354634 XSIYWKXUNZQKHK-MRXNPFEDSA-N 410.861 1.952 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812385563 YAJBUCUTYWYIAH-HOTGVXAUSA-N 405.499 1.692 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 820179018 DMLWIYBQCFGSBW-AWEZNQCLSA-N 421.500 1.215 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3ccc(C#N)nc3)C2)ccn1 856540496 WMVMBLDNWXALDH-SFHVURJKSA-N 401.492 1.642 30 10 HDEE N#C[C@H]1C(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)=CC(=O)n2c1nc1ccccc12 919804263 DONYVPKWIXPKLN-AEFFLSMTSA-N 419.485 1.794 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NC3CC3)n[nH]2)cc(OC)c1OC 1084574433 XSEMXTMTRGWWIZ-UHFFFAOYSA-N 406.468 1.647 30 10 HDEE CC(C)(C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(C#N)cc1 1127974884 PUVJKKGRVNMTIN-SFHVURJKSA-N 405.520 1.489 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC)[C@H](O)c1c(F)cccc1F)c1cc[nH]n1 1137413756 INILDIRTOMWDHL-UGSOOPFHSA-N 424.404 1.600 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]2COC[C@@H]21 1141991171 LGJDMSLPCDBVFE-WBVHZDCISA-N 405.520 1.923 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCCC[C@@H]1S(C)(=O)=O 1147802299 LZLOKRCUGCUECR-HOTGVXAUSA-N 416.496 1.551 30 10 HDEE Cc1ccc(C(=O)NCC[C@H](N(C)C)C(F)(F)F)cc1S(=O)(=O)NCC#N 1154433572 JLNAJGGLHPJFCR-AWEZNQCLSA-N 406.430 1.409 30 10 HDEE N#Cc1cn(C2CN(C(=O)CN[C@H](c3ccccc3)C(F)(F)F)C2)c(=O)nc1O 1159490487 QQGDICGFWMCZBF-OAHLLOKOSA-N 407.352 1.097 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)Nc2ncccc2C)cc1 1161011272 MZUXNMWTRKZJEU-UHFFFAOYSA-N 402.476 1.613 30 10 HDEE C=CCn1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn1 1162480303 HNWYDUMZQIDYRL-RDYUPDBUSA-N 400.483 1.867 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cs1 1163856374 CUKMURDHSHFVQE-ZDUSSCGKSA-N 422.532 1.545 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)COc2ccccc2C#N)C1 1165820565 IENCOVIBFNQDOR-HXUWFJFHSA-N 400.435 1.580 30 10 HDEE CSCC[C@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1180610488 RJZOQAZILFOTIV-BZUAXINKSA-N 407.536 1.720 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@]2(C(=O)OC)CCOC2)cc1 1198252575 YACNLMBLFSIIGX-GOSISDBHSA-N 411.480 1.194 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)cc1 1199059516 UMNLJHPPTQJXQE-FQEVSTJZSA-N 421.519 1.826 30 10 HDEE C=C(Cl)C[C@H](NC1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1207129149 LBOLUBPRCQMASM-HNNXBMFYSA-N 418.947 1.844 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)cn1 1212444528 AQVJDEUUHLXLRY-UHFFFAOYSA-N 410.883 1.359 30 10 HDEE COc1cc(Br)cc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1255178110 RLSIRPNMVUTHFL-UHFFFAOYSA-N 422.239 1.091 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CCCCC1 1286271640 UOTVXFHHOQKVPU-GOSISDBHSA-N 416.570 1.909 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1286272846 DUJZJSPZFYXAFH-YOEHRIQHSA-N 417.897 1.735 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(OC)CCOC1 1286400733 KEAQPMOJRJJTPF-RTWAWAEBSA-N 402.495 1.197 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccnc1OCCOC 1286409985 VBUBZOYHUFHTHO-UHFFFAOYSA-N 403.446 1.276 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(N)=O)c2)CC1 1286477403 ZTDONLLKHUAQJA-UHFFFAOYSA-N 401.474 1.243 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCS(C)(=O)=O)CC1 1286491869 ASXOSYJTUJYVEW-UHFFFAOYSA-N 423.583 1.267 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1286614326 ORKWRMFUCAXJSW-UWJYYQICSA-N 421.542 1.580 30 10 HDEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286661607 HYAUJXMGQZJGEC-LJQANCHMSA-N 403.508 1.292 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)C 1286787744 ZNXBIEYJZWXONK-UHFFFAOYSA-N 409.494 1.586 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C 1286793404 XHJMXKDKIOWJTC-QGZVFWFLSA-N 403.575 1.094 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 1290673767 JSROQGAXXJGKIQ-DLBZAZTESA-N 408.543 1.352 30 10 HDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1CCN(C)CC1 1292969012 ZPMUAIRPRFNMOU-ZUHIPDPLSA-N 419.570 1.525 30 10 HDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CCC1 1296263646 CRWXKROCVJQRNK-HNNXBMFYSA-N 401.515 1.445 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccccc1)OC 1300270812 FKWZTFFCJXZKPO-BQFCYCMXSA-N 419.551 1.604 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1300381106 OAGVCZNAVVYTEP-ZFWWWQNUSA-N 421.527 1.377 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 1300396384 QGAUOAOSHINNIA-IAGOWNOFSA-N 420.506 1.772 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1300482696 GZKRGRURRVDTBZ-FXAWDEMLSA-N 424.567 1.603 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOCC 1300569441 LCAJLHDCZOBWCC-UHFFFAOYSA-N 404.478 1.810 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1300595693 GOIYICKIYKURCJ-UHFFFAOYSA-N 400.527 1.766 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(C)=O)c1 1300663823 GQNJYTDFWHLAID-UHFFFAOYSA-N 407.478 1.771 30 10 HDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1300756626 RBGMWGFJSBLVED-UHFFFAOYSA-N 423.502 1.239 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(C(N)=O)CCOCC2)C1 1301554313 ZWUMICKALLTVON-HNNXBMFYSA-N 400.483 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1301567770 ACOLPCYUIYWMIZ-UHFFFAOYSA-N 409.556 1.416 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cc(C#N)ccn2)CC12CN(C(=O)OC(C)(C)C)C2 1304078731 JUWMMZDSONJULG-CQSZACIVSA-N 400.435 1.435 30 10 HDEE CC(C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ncon1 1304112671 BURWORCUVRWJOX-UHFFFAOYSA-N 405.480 1.720 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 1309079826 QWJUOECTUBTKPD-OAHLLOKOSA-N 410.542 1.930 30 10 HDEE N#C[C@]12CN(C(=O)NC3CCC(O)(c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1312452987 SKMUJGYCLJGYQR-AILXTGBUSA-N 403.504 1.397 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1316025926 RTOHPYONMJNGCB-UHFFFAOYSA-N 422.493 1.787 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1316526925 DZIQEUXEBLWBTP-QRWLVFNGSA-N 417.489 1.464 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCSC2)cc1 1316529179 BNEYSSNKLPSTBP-SFHVURJKSA-N 403.533 1.253 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCOC2)n1 1332146109 VHBOQMKRXLCWPA-PKOBYXMFSA-N 410.526 1.353 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1358872354 SVRLYDAYNNYEIR-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1358886233 AIBIKVSVEORRKV-ZDUSSCGKSA-N 406.446 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CC(=O)N1CCN(c2ccccc2)CC1 1358899382 MBRROPSOIKXVAY-GOSISDBHSA-N 410.522 1.621 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1C 1358904967 PMJDHYKYQIOBBG-CQSZACIVSA-N 407.544 1.370 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1358910205 HRQGLHKPRFORFN-OAQYLSRUSA-N 424.509 1.297 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@H]1C 1358978147 DXWLUGUAPVEZIY-QRVBRYPASA-N 418.563 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCn1cncn1 1359021100 BJDXDYKZOMNHCK-UHFFFAOYSA-N 402.462 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359102252 ZDEWZFNXVDFQNG-GGPKGHCWSA-N 410.522 1.947 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1359127023 GCUPZVBHDJNKIQ-QGZVFWFLSA-N 404.559 1.749 30 10 HDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1359133000 JTRDFGGFEKDHQE-SFHVURJKSA-N 415.494 1.956 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1359213784 GRXIFZNCNOFVQQ-CQSZACIVSA-N 407.478 1.470 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1359281280 ULFYNUKQHARLKD-QGZVFWFLSA-N 422.493 1.497 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1359286977 DIUSXTLOSDLRIR-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1359292974 CFVIBTSCFSQUEW-CQSZACIVSA-N 416.457 1.138 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359301862 NOWNTCHZTIMOPL-JKSUJKDBSA-N 415.425 1.424 30 10 HDEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 1359871276 KTLPMMASAUUSJY-AWEZNQCLSA-N 423.292 1.292 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCn2ccnn2)CCOC1 1360320509 YHZXBCIKVAYAMX-QFBILLFUSA-N 402.503 1.739 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCC1 1360474093 HGQAYCUJYMUVRP-AWEZNQCLSA-N 407.478 1.845 30 10 HDEE N#C[C@@]12CN(C(=O)c3nnn(-c4ccccc4)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1439612098 HASKDUDOJYMONU-GTNSWQLSSA-N 407.402 1.215 30 10 HDEE COCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1443672492 JBBVGESGNQDVSJ-HUUCEWRRSA-N 417.528 1.236 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)c1 1450439992 RRXLJMRUAAQLAJ-PZJWPPBQSA-N 416.474 1.538 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C2 1455039368 RIZGPLKJCZQHND-QAPCUYQASA-N 410.861 1.469 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Cl)cc(Cl)c3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1456610774 BYTDCVQWNQVTEM-RMLUDKJBSA-N 404.231 1.912 30 10 HDEE CCCCCCCC[C@H](CO)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 1457064614 VVXYPBNZFUAJIC-OAHLLOKOSA-N 404.511 1.782 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CC(=O)Nc2oc(C)c(C)c2C#N)CCO1 1460539790 COWXSDNJBWCJPF-HXUWFJFHSA-N 407.467 1.766 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CCCS2(=O)=O)cc1Br 1463707601 IBKXVRLYKKFFJM-SECBINFHSA-N 411.274 1.315 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1464612853 SOUACFYCQSNQCY-IBGZPJMESA-N 401.532 1.768 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3ncccn3)CCOCC2)c1 1464619501 GHEAQZYFKQYYFO-UHFFFAOYSA-N 402.476 1.377 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1CCC12CCOCC2)/N=C1/NS(=O)(=O)c2ccccc21 1471222140 JSSNLTMHYHMYQJ-CABCVRRESA-N 405.520 1.827 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1471698613 OBOAGNIMFGIOLD-HSFUPAIVSA-N 424.563 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](CO)C1 1472410628 CWKGPLAHIOEIMR-QGZVFWFLSA-N 411.462 1.798 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(Br)n2CC(=O)Nc1cccc(C#N)c1 1473074618 GLAWRSRAKHBSNL-UHFFFAOYSA-N 403.196 1.108 30 10 HDEE CCOC(=O)[C@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCC1(F)F 1473684159 HQCRSMCECFMCPO-HZPDHXFCSA-N 400.470 1.199 30 10 HDEE CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503211618 MXHZVWSLPHVPRI-INIZCTEOSA-N 414.514 1.059 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1503279546 IHHNSPPILPDESY-QAPCUYQASA-N 410.544 1.241 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccccc2)nnc1N1CCO[C@H](C#N)C1 1505130370 GEXPITURKLBCTB-QGZVFWFLSA-N 403.508 1.889 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1507532921 HMIDNGQCLVDRPP-ZNMIVQPWSA-N 410.469 1.043 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)OC)c1 1507550405 KNMLHCJJRNPXHK-ROUUACIJSA-N 424.505 1.710 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507577788 SOAXYCGHYPUZTB-MRXNPFEDSA-N 412.881 1.159 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1507613685 PCRUZFMVTCCNJR-MRXNPFEDSA-N 402.568 1.660 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C 1507642101 GSQPFDKOOWCZTK-SFHVURJKSA-N 413.547 1.935 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507648057 UARDJMWUFSVAOE-UHFFFAOYSA-N 422.489 1.707 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507658129 CPAGZJRGADEMBN-UHFFFAOYSA-N 420.517 1.302 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)C1CC1 1507661033 KKOKAAFDPURJSB-FGZHOGPDSA-N 400.523 1.943 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1507686637 DYYOFHXBBPSDMR-UHFFFAOYSA-N 405.462 1.580 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)F)CC1 1507726565 BVLDQKRZRHTXOK-UHFFFAOYSA-N 408.478 1.067 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN(CC)CC)CC1 1507727443 PQWSYBCQHUYXIC-UHFFFAOYSA-N 412.586 1.627 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1COCCO1 1508027494 XYUFPVYWVCOQNE-KRWDZBQOSA-N 403.483 1.660 30 10 HDEE CC(C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1509523304 RCZNRHCSODRFET-LJQANCHMSA-N 403.462 1.788 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(COC)c1 1519332264 XTGBYOJKYOMXND-QFBILLFUSA-N 415.494 1.926 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC(=O)N1 1519423295 CNQUAJXNZJRINC-UXLLHSPISA-N 402.499 1.411 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1523689501 ZUHQICYZWNJTBE-QGZVFWFLSA-N 409.508 1.339 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)CC2)c1C#N 1524094546 DKWSIDBDDDJNIJ-VXGBXAGGSA-N 401.414 1.286 30 10 HDEE CN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 1532373268 XPBOHKURIKTLHD-UHFFFAOYSA-N 408.418 1.401 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OCC 1537004151 SBIOBIZWZYZRPQ-ZDUSSCGKSA-N 423.516 1.926 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1538970224 BAJSREJPIGMIMW-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1539013090 HZBONYIBIKSUSY-CVEARBPZSA-N 407.540 1.041 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1539031306 YSHFTDNDTQVXGN-HZPDHXFCSA-N 416.551 1.448 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539066261 SJBXCHGTQBPKRY-ZWKOTPCHSA-N 400.527 1.334 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1539126219 ULBNDOBCLKOOSI-BBWFWOEESA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539202362 HIFJELLQTXXIBZ-QGZVFWFLSA-N 401.536 1.840 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1C 1539416677 RKSSZUXWIIUHND-LJQANCHMSA-N 416.547 1.931 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCC)CC1 1539477633 TYAVIXXRYJRUCT-UHFFFAOYSA-N 419.489 1.970 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1539639929 CVCOCKUQISRXJM-VWXURSGXSA-N 419.526 1.223 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539847118 KGSIATWDLDRCBJ-MSOLQXFVSA-N 402.543 1.742 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1540035866 HZDAQIHUCJJWTL-HXUWFJFHSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1540072357 KWIQUJKHAGDRBM-CYBMUJFWSA-N 405.471 1.279 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CCC2=O)cn1 1540293927 HHMKMJUDRKKQKS-IBGZPJMESA-N 406.490 1.379 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccccc2Cl)c1 1540776335 XQTIVNLUUXYXRT-UHFFFAOYSA-N 423.853 1.936 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540898084 ZDVSZTPCIOPQNB-INIZCTEOSA-N 409.556 1.594 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1540906048 ZAKBUHZYMFXODG-UHFFFAOYSA-N 409.556 1.423 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@@H]1CCCO1 1543309759 ZCRSNKHTDNUTME-IBGZPJMESA-N 411.510 1.766 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1554532087 YEEFIZREQJFEBH-MSOLQXFVSA-N 411.462 1.622 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1555527246 MCWUQLDXQCTXHM-AWEZNQCLSA-N 403.487 1.322 30 10 HDEE C[C@H]1NC(C(=O)N(C)CCOCc2ccc(C#N)cc2)=NN(c2ccccc2)C1=O 1556855833 XCEQDLSWWOGQLH-MRXNPFEDSA-N 405.458 1.872 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](CO)Cc2cccc(F)c21 1557308363 LZVFEHOTHUCIBM-CYBMUJFWSA-N 417.462 1.452 30 10 HDEE CN(CC(=O)NCc1cc(F)c(C#N)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1567951091 GSZMKFOQHLEVDT-UHFFFAOYSA-N 424.385 1.682 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)ccc1F 1585221553 YKMIQTSHLMGVTH-MRXNPFEDSA-N 419.478 1.796 30 10 HDEE C=CCn1cc(CNC(=O)c2cnn(C(C)(C)C)c2I)nn1 1585555671 OKPFLSMNBAABDH-UHFFFAOYSA-N 414.251 1.950 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CCOCC1 1586730444 RAZCWBNCHKUHLY-SFHVURJKSA-N 410.467 1.005 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 1587299852 BOXOUFMCIDBBFQ-OAHLLOKOSA-N 413.430 1.325 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(Sc3ccccc3C#N)cc2)C1 1587443080 ZXEZPDAEKZTQNU-UHFFFAOYSA-N 416.528 1.930 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCOC[C@H]2OC)c1 1587692646 HMZQIFAHZXWFGE-IEBWSBKVSA-N 411.506 1.948 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 1587823802 ZMQKOBHMQKQSFL-INIZCTEOSA-N 417.535 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1588083722 IWTPTLATMRZWCL-AWEZNQCLSA-N 420.564 1.589 30 10 HDEE N#C[C@@H]1CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCN1C1CC1 1588140770 OAUVBMFIJHLVEC-CYBMUJFWSA-N 405.361 1.232 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCCC1 1588180765 KFFDQBUVNMNLEG-ZWKOTPCHSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588434330 XVMNANDFXQMCMV-LAUBAEHRSA-N 401.511 1.588 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1594793140 HAZVGBHGMZYWDX-GOSISDBHSA-N 410.478 1.361 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCS(=O)(=O)NC 1594907680 XCPIUGSYURDIRO-UHFFFAOYSA-N 420.358 1.941 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCS(C)(=O)=O 1595100099 MUJPXWGQWMLMLB-SFHVURJKSA-N 415.519 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1595789589 XFJPLIWJRYGGNX-DOXZYTNZSA-N 410.540 1.529 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)NCCNc2ncccc2C#N)C1 1597739129 ZJJKTUACLDRKHO-YWZLYKJASA-N 403.483 1.944 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCCO3)n2CCCNS(C)(=O)=O)CC1 1611771812 BZZUKLSYWOCSPB-HNNXBMFYSA-N 410.544 1.589 30 10 HDEE CCCN1CC[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1614840479 GFOWIDGLLUVAKI-SFHVURJKSA-N 423.521 1.397 30 10 HDEE C#CCN(CCC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1616159989 WQUUKBMJQDLLSU-CYBMUJFWSA-N 414.911 1.808 30 10 HDEE O=C(N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(n2cnnn2)CC1 1616293021 LWQMTJLKLYZGTE-KNVOCYPGSA-N 405.249 1.792 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)C#N 1617348506 HFJUCEALCQYTDD-HZPDHXFCSA-N 412.560 1.440 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)C1 1618632721 DSBCIEMGKSDJKZ-QXATTWAWSA-N 424.505 1.319 30 10 HDEE C[C@@]1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)COc2ccccc2O1 1618746414 XHWGRBWELQVYNB-LJQANCHMSA-N 401.444 1.071 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619620441 SPQMHNMZDOUZNM-ZJPYXAASSA-N 412.469 1.957 30 10 HDEE C=CCn1cc(CNS(=O)(=O)Cc2cc(OC)ccc2Br)nn1 1622264521 AOLPXAWQEUWQCY-UHFFFAOYSA-N 401.286 1.855 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1622825068 YNQNIMBBPUXGTN-HNNXBMFYSA-N 408.524 1.433 30 10 HDEE C#CC[C@]1(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)CCCN1C(=O)OC(C)(C)C 1623549303 NEDSAHZTRXTUMS-HRAATJIYSA-N 408.495 1.552 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc(Br)cc1C#N 1625861772 ZMTGVTOESQVPCK-WFASDCNBSA-N 414.325 1.697 30 10 HDEE CC[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1627337268 DVSGJILTRZRNEO-CYBMUJFWSA-N 410.496 1.978 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CSCC(=O)N2)CC1 1628596327 AJXAVODXXADEBY-LSDHHAIUSA-N 423.336 1.390 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 1631312674 UXPNTVBHXSYMRS-AWEZNQCLSA-N 402.513 1.120 30 10 HDEE CCn1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cnc1Br 1631744369 FPROLRBWBRGCQY-NSHDSACASA-N 404.272 1.678 30 10 HDEE COC(=O)c1ccccc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1634772278 BZMXAPRJFQRBKL-ZDUSSCGKSA-N 415.471 1.607 30 10 HDEE CN(C[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1635033601 YXQGOMIFANIEQJ-HNNXBMFYSA-N 419.482 1.459 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)n1 1635721943 VXOHUKVKKACVNG-UHFFFAOYSA-N 416.482 1.886 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1637184633 JUJBWRCHCOGMEG-CABCVRRESA-N 402.513 1.214 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1637185733 FYJXZXYHOWLWGV-QZTJIDSGSA-N 406.504 1.446 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC 1637696647 HNXZWBARXQNFGX-HNNXBMFYSA-N 400.884 1.665 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1638678853 ULAKYYSDKBRHTG-ROFLEHJCSA-N 408.502 1.004 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1638883503 RRRSNEGLMWEDSO-UHFFFAOYSA-N 415.313 1.321 30 10 HDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1639832749 NOEJZNBSWTVLCE-KRWDZBQOSA-N 411.462 1.947 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1640793472 BNIOFJWFGFKRPN-GOSISDBHSA-N 406.504 1.180 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(Cn3cnnc3)CC2)CC1 1643714941 FTQFTODFYXLCIJ-GOSISDBHSA-N 413.551 1.461 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](C(F)(F)F)CC1 1644820963 AXWVVIMCJHGIBQ-SMDDNHRTSA-N 405.398 1.405 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC[C@@H](C(F)(F)F)O1 1644822087 XUKRWPZHSQADSO-JMSVASOKSA-N 419.425 1.793 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(OC(C)C)CCOC2)s1 1646169556 BSFGFKOEROXWQL-QGZVFWFLSA-N 402.538 1.455 30 10 HDEE C#CCN(CC(=O)N1CCN[C@@H](Cc2cccc(OC)c2)C1)C(=O)OC(C)(C)C 1648117949 RLWHPLAETBBRRU-SFHVURJKSA-N 401.507 1.908 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]2OCCNC(=O)[C@H]21 1648123626 ISWPPVLIEWOMGP-ALKREAHSSA-N 402.520 1.856 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1652290132 SPIWTDAMFXULJS-IBGZPJMESA-N 424.476 1.738 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)c1 1654823361 BLNKBGBRJCTCIF-SFHVURJKSA-N 412.471 1.816 30 10 HDEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)N=S2(=O)CCCC2)ccc1OC 1667244844 CGLUIGVGEHVUFK-CQSZACIVSA-N 401.510 1.972 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1671882436 INLSGSNZGVDLQY-UHFFFAOYSA-N 402.451 1.101 30 10 HDEE C=CCN(C(=O)Nc1ccc2c(c1)CCN2C(=O)COC)[C@H]1CCS(=O)(=O)C1 1676627753 ZDPHGIBLUHWCKG-INIZCTEOSA-N 407.492 1.429 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1684819270 ZWEAXNQBQIRPRH-HKUYNNGSSA-N 420.535 1.779 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(C(F)(F)F)nc1 1685081364 MJYWFMWDYUAHEM-ITDIGPHOSA-N 402.398 1.741 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)NCc2ccc(C#N)c(F)c2)cc1 1686796500 WEMVVMPROBCGBW-UHFFFAOYSA-N 406.439 1.947 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)nn1 1686847856 BUBRMYDMUPTZIQ-UHFFFAOYSA-N 411.510 1.492 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CN(CC(C)C)CCO2)c1 1689868319 CIHRHWSRURNDSD-NRFANRHFSA-N 424.549 2.000 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1689979985 JXJVKOSERUJMJN-CQSZACIVSA-N 418.510 1.874 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689990476 PAYRSGQFUAMLEO-WMZOPIPTSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CC)c1 1690015631 SWUVPOSGINEKOW-UHFFFAOYSA-N 412.457 1.931 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1690056120 GJRUXYMIEAIZII-UHFFFAOYSA-N 404.478 1.807 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1690099861 OFUPPCDIXKUFJK-GOSISDBHSA-N 421.505 1.827 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(O)CCN(C(C)C)CC1 1690107912 HXIYWRZOWNBBSO-GOSISDBHSA-N 405.543 1.451 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(N(C)C)nc2)CC1 1690121971 AGKCFIIHZGXVPU-UHFFFAOYSA-N 416.533 1.913 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690155672 MLUUTSXRMNOOBK-IRXDYDNUSA-N 418.611 1.947 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690506162 FKDVABFQDQAJNH-HKUYNNGSSA-N 415.542 1.428 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[S@](=O)C(C)(C)C)C1 1690697390 ULYGHARXQXDJDC-TXUMCGTDSA-N 409.556 1.558 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1690998487 YVGHJXZUJPSXPP-QGZVFWFLSA-N 418.509 1.779 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690998992 ABDDMCZFXQEOHO-HOCLYGCPSA-N 424.484 1.758 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696437974 YWULALQBMWQNMG-LJQANCHMSA-N 421.505 1.942 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCOCC1 1696495780 FEOIXDSBRHAJKK-UHFFFAOYSA-N 418.523 1.373 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCS(C)(=O)=O 1705559227 UZIQTQPEVWGJIQ-OKILXGFUSA-N 411.528 1.163 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1Cc1ncnn1C(C)(C)C 1705589608 TZKXLTLSTNSPQP-KRWDZBQOSA-N 413.526 1.860 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1705601646 QHXGSUJSCOTJGG-UHFFFAOYSA-N 416.485 1.718 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(C)cc(OC)c1 1705630463 UNWOPGAHTJQPRU-UHFFFAOYSA-N 411.506 1.852 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cccnn2)CC1 1705708719 GIBGSUHIZMBJEV-YLJYHZDGSA-N 413.526 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H]1c1nncn1C 1705896215 FOLDTIACODXESH-QGZVFWFLSA-N 422.493 1.726 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ncn(C)n2)C1 1705920136 RDFQQTKNONRSCP-MRXNPFEDSA-N 410.438 1.811 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705946622 MPDAOIFOBGSXMV-UHFFFAOYSA-N 406.556 1.916 30 10 HDEE CC(C)Cc1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1706423971 UKNKCNMUXKOECW-UHFFFAOYSA-N 413.526 1.636 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCC=CO2)CCOC1 1706680574 SDPKREROVFEVFX-ABSDTBQOSA-N 403.483 1.740 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H]1C 1710277244 APVNOPVMJPHTEL-HNNXBMFYSA-N 402.524 1.392 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1710875666 FVRXBVFXDICZHC-UHFFFAOYSA-N 411.491 1.678 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711162265 PEBSCNGVQQXCQZ-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@]1(C)CN(C)C1=O 1712459909 YOTVTMLJBPTNBI-LJQANCHMSA-N 402.524 1.775 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccs1 1712563442 XOORCZCDFAPSAL-GOEBONIOSA-N 417.539 1.683 30 10 HDEE C=CCC(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2cnn(C)c2)C1 1719478190 DAHBYMKYFLJEKY-PHUPPTAPSA-N 412.534 1.856 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCCNS(C)(=O)=O 1722300319 YGIDZLNMKGBNNE-MRXNPFEDSA-N 405.524 1.563 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccnc(-n2cccn2)c1 1722342222 UQHOJIXRGVSTMH-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1722413182 IWYZUXZBCPOFEM-ZDUSSCGKSA-N 407.462 1.134 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1722431654 OYRZWTQLTYNUQG-UHFFFAOYSA-N 407.478 1.130 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](F)COC)CC1 1722437441 MVKBRQCXABJNRI-LPHOPBHVSA-N 415.469 1.530 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722558934 DRPUDLYECBHXPT-GOSISDBHSA-N 403.575 1.599 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)c2cc[nH]n2)CC1 1722571763 HAOHBQQVFOOBJU-RDJZCZTQSA-N 415.498 1.312 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722626763 GCNKQWCOZIAOJY-IRXDYDNUSA-N 404.515 1.321 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1723777235 CALMNTDBJJYSDT-OAHLLOKOSA-N 411.514 1.505 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1726711876 BSKUUWXKMUXSMJ-KJDLQHBPSA-N 400.483 1.371 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCc2nccn2C1 1730762263 CDAHWRIKZYNRBK-ROUUACIJSA-N 413.526 1.998 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1731003215 CQCDWAODHYUFBT-GOSISDBHSA-N 402.455 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCn1cnc2ccccc21 1740644910 YNGRAWBCRQDZDE-UHFFFAOYSA-N 403.490 1.929 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC 1740683814 GGOXWVYVISWSKW-KRWDZBQOSA-N 413.478 1.381 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCSC1 1740686564 KQLLNKHFUVHVOE-HXUWFJFHSA-N 404.511 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O 1740688994 XWCDZEHNOINWOX-OAQYLSRUSA-N 415.469 1.561 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[S@](=O)CC)CC1 1740697111 RUYFBYFUYCTVSU-MUUNZHRXSA-N 403.527 1.532 30 10 HDEE C=C1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740821145 BADDVSZONAKEOC-HXUWFJFHSA-N 418.519 1.660 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1741001027 JEHXDVQXYVAJMP-ZDUSSCGKSA-N 418.523 1.592 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1741801692 CIRDRZOFGAHHIK-GOEBONIOSA-N 401.515 1.807 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1741804666 HFMPIKLUUYJGGD-OPAMFIHVSA-N 408.506 1.973 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1747686712 YGKZGVAFRNIOFZ-ZDUSSCGKSA-N 421.383 1.803 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748816099 WWHXTWSGORACOO-ABSDTBQOSA-N 422.551 1.716 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1748825008 VKGFJRMBBUNRFC-ZWKOTPCHSA-N 424.567 1.819 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccncc2)CC1 1748979357 XVWRKGVMCRXTPA-QFIPXVFZSA-N 410.522 1.323 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](COC)OC)CC1 1748994166 BNHCPCZSAOUVTQ-HXUWFJFHSA-N 422.533 1.698 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749209469 ZADZYPWCGLRCNK-GHTZIAJQSA-N 405.543 1.665 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1749583902 CJGSUWBHAKJUEI-QHCPKHFHSA-N 421.549 1.980 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749659034 RULMRUDZGOKBHM-INIZCTEOSA-N 414.510 1.842 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(COC)CC1 1749666247 KDWNMEPFBKFIFG-UHFFFAOYSA-N 416.482 1.171 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749680129 FBDYOCNRXAEYTK-NRFANRHFSA-N 412.494 1.169 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1750075112 BMJUHTPROMGXOV-VQHPVUNQSA-N 409.556 1.837 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1750379730 GYBQHHXJWWTFOX-MGPUTAFESA-N 417.489 1.510 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCOCC2)CC1 1750386424 GTBCSZQCQUBHMX-UHFFFAOYSA-N 416.526 1.726 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1750926464 XUQRDDQZFREISU-UHFFFAOYSA-N 419.493 1.990 30 10 HDEE Cc1n[nH]cc1CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1751341427 GNDNSXUXRCCYKJ-UHFFFAOYSA-N 404.478 1.807 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)c1 1751653128 UDJCHJHIDAXJKM-ROUUACIJSA-N 424.505 1.809 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760095560 RUXAZNOTNOYWPM-ZBFHGGJFSA-N 414.485 1.358 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1760123126 YLORTFZUEORILB-ZWKOTPCHSA-N 408.506 1.907 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760160428 DAXFIWMZJXYBTN-UTKZUKDTSA-N 403.527 1.994 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1760163588 XIYPULXGYUIDPX-AWEZNQCLSA-N 406.512 1.190 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760225625 UQMFJMUKNFTOJX-OAHLLOKOSA-N 420.539 1.578 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(C)c1C 1760248801 QRFPNFOPAKHORD-UHFFFAOYSA-N 411.466 1.182 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1760325198 PJESGGNQQSLAOV-PXNSSMCTSA-N 403.527 1.590 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(C)(=O)=O 1760506008 XNGLWFNYGRXSCU-HZPDHXFCSA-N 414.572 1.880 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1760527879 LEPOBNPDLTXVOB-UHFFFAOYSA-N 416.457 1.109 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CCO1 1760667756 FJODGJGCQCSPSL-QGZVFWFLSA-N 410.434 1.701 30 10 HDEE CC(C)CN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1=O 1761124881 VXPWAUZHJKANHK-INIZCTEOSA-N 412.494 1.990 30 10 HDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763559305 OYAYFLYOFQWBOB-NXOOQTOKSA-N 402.499 1.932 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1767485419 VYCGDZFHOQTSEW-FXAWDEMLSA-N 405.499 1.476 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1768939335 CSUQHWNTFNYXTR-UHFFFAOYSA-N 421.549 1.847 30 10 HDEE COC[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769210765 CGNJJKNJHUFTIR-CYBMUJFWSA-N 408.466 1.496 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1769566551 FFGAELREJBCDOW-AWEZNQCLSA-N 405.462 1.508 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1769878931 DJEQVPMMEDDFMS-VGSWGCGISA-N 423.521 1.965 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769937475 UVDYUYPZXYSLKS-KRWDZBQOSA-N 421.505 1.934 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCOC2)c1 1770308410 FHXPQIOAZUXLGQ-ZBFHGGJFSA-N 417.491 1.114 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1771300213 NZQXFNWOPDFJTL-ZUVSJKOSSA-N 416.482 1.129 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1771368237 BYTRRZWWWBVVRV-XDBZFTIUSA-N 404.540 1.555 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCOC3)n1CCCOC(F)F)C2 1771531991 LISRIIJIUGKKPS-GFCCVEGCSA-N 420.420 1.946 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 1772789508 AEMXOVXKMSINBQ-OAHLLOKOSA-N 408.366 1.774 30 10 HDEE C=CCn1cc(CN2CCN(c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3C)CC2)cn1 1849551536 VKKRSIRWOALUKW-IBGZPJMESA-N 418.567 1.564 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cnn(-c3ccccc3)n2)CC1 1851132806 NODYXVTXJZUZRQ-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1F 1851292925 LBQLDXVPUJFIKQ-HNNXBMFYSA-N 408.437 1.498 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1C 1852305468 YHYVCVRZTWARHN-OAHLLOKOSA-N 401.492 1.971 30 10 HDEE Cc1cc(C)c2c(=NC(=O)CN3CCC(N4CCC(C#N)CC4)CC3)[nH]n(C)c2n1 1852541612 SDQZXFPXMQVRFI-UHFFFAOYSA-N 409.538 1.646 30 10 HDEE Cc1nn2c(NC(=O)c3cc4n(n3)CCC[C@H]4N3CCOCC3)ccnc2c1C#N 1852770296 GIVXRJCGPKLWPG-MRXNPFEDSA-N 406.450 1.525 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cccc(Br)n3)C(=O)C2)C1 1855018752 FKKIRJTUUWCZCN-CYBMUJFWSA-N 406.284 1.116 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2=O)CC1 1855614016 AEPUUQCBQZBPOS-GOSISDBHSA-N 412.494 1.070 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ccncc3F)C2)CC1 1855838207 KPMJONCKUVIUGL-OAHLLOKOSA-N 408.437 1.298 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3ccc4ncccc4n3)C(=O)C2)cc1 1856271210 LXRKUDSSMRVMRL-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE CC(C)C[C@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387069 BMNIPQQGRKJONQ-RDJZCZTQSA-N 416.501 1.618 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc([N+](=O)[O-])c2)cc1 1858646926 NMKYQEFVCKLRLX-UHFFFAOYSA-N 418.431 1.699 30 10 HDEE O=C[C@@H](O)C(=O)N[C@@H](CCC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 1866087331 AKMPOQXDORLIMC-RBUKOAKNSA-N 413.426 1.298 30 10 HDEE C[C@@H]1CN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)C[C@@H](C)O1 1868782915 MSUGAOSCMNCLFS-BFYDXBDKSA-N 404.536 1.777 30 10 HDEE O=C([C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869927781 APWJGWGDIHMCOI-SFHVURJKSA-N 413.499 1.320 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OC)cn1CCc1ccc(S(N)(=O)=O)cc1 1870555753 WMHNLINAMBTJHK-UHFFFAOYSA-N 417.531 1.921 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3nccc(N4CCOCC4)n3)C2)c1 1891178934 SKLGAUOKMFZKPJ-KRWDZBQOSA-N 408.462 1.511 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)C1 1891889636 PZHMRJSRNCEGNE-CQSZACIVSA-N 406.402 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1902512388 MQZIZECGJAXATP-CQSZACIVSA-N 410.320 1.911 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H](N)CC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1914865125 YPMJNMYAESIMPJ-SFTDATJTSA-N 406.486 1.684 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N 1963330025 MUCGKDCZQJGBJF-INIZCTEOSA-N 400.460 1.985 30 10 HDEE C#CC[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCO1 2074736326 HVXZTQWCUMMWTD-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE COC(=O)C1(NS(=O)(=O)c2ccc(C#N)s2)CN(C(=O)OC(C)(C)C)C1 2118172193 YYRBRNSVNKUDIS-UHFFFAOYSA-N 401.466 1.061 30 10 HDEE Ic1cnn(CCN=C2NC[C@]3(CCCOC3)CS2)c1 2153505291 BBZOYDDPNHSUJM-ZDUSSCGKSA-N 406.293 1.977 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174782268 OTYNEMOCQPRPQR-AREMUKBSSA-N 414.509 1.607 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2241403684 NMYOGAPEOMAMDS-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247829785 VWJQKWFEBOTJRK-CYBMUJFWSA-N 418.303 1.614 30 10 HDEE C[C@@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247838367 GZMZLYJYNOQQGP-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C(=O)OC(C)(C)C 2247929109 JGBTVUUVNVFDJO-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE Cn1nc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)cc1B1OC(C)(C)C(C)(C)O1 2255837455 POYMJAAMGXWSIU-IRXDYDNUSA-N 422.338 1.580 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281958958 JWRXLYNUVRGESU-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCNC1 2282330387 YYCJODSFOGCVPM-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ncc(Cl)s1 2282346113 LQGZRPUQWATUPV-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE Cc1cnc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)s1 2282500086 HUCOATXEDPTFPQ-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CN[C@@H](C)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282501470 XLWOOIZEVDUOSK-NSHDSACASA-N 402.391 1.940 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N=[S@](C)(=O)N(C)C)c1B1OC(C)(C)C(C)(C)O1 2282503693 DLZIQOSEXKNVLF-VWLOTQADSA-N 422.403 1.927 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505035 XPVYOTJTWBSODZ-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2COC3CC2C3)OC1(C)C 2282508926 CWDHSRPFQXVDKH-MCIGGMRASA-N 400.331 1.039 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282611461 LKKIWFOYLUQUET-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE C=C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282842841 DPQUAOJZKHLBIW-GFCCVEGCSA-N 400.331 1.159 30 10 HDEE CN(CC(=O)O)S(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284398765 BNQJNCAVVBMCIL-UHFFFAOYSA-N 424.111 1.998 30 10 HDEE CC1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2284414076 OUXNUIFRUDIRCA-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE C=CCc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OCC(=O)O 2293430020 ZCAXTHGRXDCTHG-UHFFFAOYSA-N 404.444 1.534 30 10 HDEE COc1ccc(NC(=O)[C@@H](Oc2cccnc2N)C(=O)C=CC(=O)O)c(OC)c1 2318692428 IDYVWXWYOSPIFM-KRWDZBQOSA-N 401.375 1.277 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@@H]3CC(=O)O)s2)OC1(C)C 2360939617 RVKYPSHYGHLIEA-MNOVXSKESA-N 401.315 1.436 30 10 HDEE C#CC[C@@H](NC(=O)NCc1c(Br)c(Br)nn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c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2370742531 CQBWCMRGGHHJGM-KBPBESRZSA-N 401.359 1.827 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2375202348 XTYNZNXJPJCEGD-KDOFPFPSSA-N 402.513 1.257 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1O 21316815 JGJFOLUOYVVXSV-CNHKJKLMSA-N 420.480 1.339 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccccn3)n2N)c1 21324858 VOIKBZGIAUXZJC-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC[C@@H](O)CN3CCOCC3)nnc12 24087213 UTMUCXPEJZXAJA-AWEZNQCLSA-N 401.492 1.015 30 10 HDEE Cc1ccsc1[C@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@H]1C#N 101443614 CVWAZDKSEVTMLA-NWDGAFQWSA-N 412.475 1.065 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1=O 410106407 QGAZQGJWXQCIPQ-HUUCEWRRSA-N 411.549 1.537 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2cc(OC)c(Cl)cc2OC)CC1 432909554 HNBMDMNIHUQPNL-UHFFFAOYSA-N 424.929 1.606 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)n2ncnc2n1 443050427 OMTOJUNFVVCDDR-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc(OCCO)c1 447167402 OQAKQAIGJVQSCO-UHFFFAOYSA-N 403.460 1.729 30 10 HDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460374099 VGQRWFULADHINO-UHFFFAOYSA-N 404.540 1.864 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(c3cc(OC)ncn3)CC2)cc1 461350671 NLSQKXZFYBSGDI-UHFFFAOYSA-N 424.505 1.953 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OC 461752764 WKUIMLGIPWBUCN-UHFFFAOYSA-N 412.431 1.308 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)cc1 478309370 MIUVIXUXKXRPJF-JKSUJKDBSA-N 410.492 1.334 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)c1 486227010 YAYMOGDFBLKKRA-UHFFFAOYSA-N 401.444 1.926 30 10 HDEE CCn1nc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c2ccccc21 489201499 GEQJJCXCRFSFGP-SFHVURJKSA-N 415.453 1.819 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 508497527 LQTHSEDYISUAMH-UHFFFAOYSA-N 421.509 1.942 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 508897898 ZMHVCFIWWVGEKL-MRXNPFEDSA-N 408.466 1.670 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1-c1ccccc1C 515687129 FNUROWRFPZBJJP-UHFFFAOYSA-N 417.490 1.391 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 518233259 BHCXDDMGFGJMQI-UHFFFAOYSA-N 408.499 1.262 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCCC3)nc2)CC1 524495142 ASYDDNPXZQGFFA-UHFFFAOYSA-N 414.554 1.591 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 541761683 RESJHTJXEZHFLR-OAHLLOKOSA-N 402.538 1.467 30 10 HDEE Cc1cc(=O)n(C)cc1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 543806448 CVJXMHSZRBSISC-UHFFFAOYSA-N 409.446 1.405 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)CC1 544638786 ONDPXYVPUUAUAV-UHFFFAOYSA-N 420.926 1.732 30 10 HDEE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546178368 ALEGSIWJNWEERK-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE CCN(C(=O)CN(C[C@@H](C)C#N)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 611091254 LHWHCXPKVDVRPU-HNNXBMFYSA-N 424.505 1.556 30 10 HDEE CCn1c(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)c1C 728557855 SQGZSJAQUGJRRR-UHFFFAOYSA-N 413.543 1.867 30 10 HDEE C#CCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 729333639 ZZOCFTVGKDLVGX-ZFWWWQNUSA-N 401.481 1.027 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1OC 729430042 SJBCVRQWXUBOOO-FDTVQSNTSA-N 414.462 1.885 30 10 HDEE CC1CCN(C[C@@H]2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)CC1 732465211 DVFIJCNVDRSZOC-NRTINQSCSA-N 403.527 1.666 30 10 HDEE C=C(COC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OCC 734028267 IFEXWFFDROQRJH-NLZINVLXSA-N 400.431 1.452 30 10 HDEE CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 744749474 TZGQBWCLQGSEGN-BBWFWOEESA-N 418.563 1.977 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CN(C)Cc2nnc(C)n2C)ccc1OC 746260816 ALGVOPKDUXRBCI-MRXNPFEDSA-N 400.483 1.561 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)cc1C#N 747497416 ABSFYRIFBASKBH-UHFFFAOYSA-N 408.336 1.546 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)cc1C#N 747499121 WDHHYFVKHCPIHB-UHFFFAOYSA-N 420.425 1.784 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 757015045 LPVPEZHVBGAXHC-CQSZACIVSA-N 414.487 1.129 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 757694662 XNBLFDFFRIDYQL-OPGVCCBYSA-N 404.858 1.139 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1 758701560 GHDHCLGYXWNHSS-OWYNOLBKSA-N 402.426 1.117 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 774195865 URKJXJZLGUIQIY-WOJBJXKFSA-N 403.548 1.873 30 10 HDEE CCc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)c1 784126596 ZCQQJFYXLQBVQN-INIZCTEOSA-N 400.508 1.998 30 10 HDEE N#CCSCC(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 788073467 MLWFQBILTHQFDL-UHFFFAOYSA-N 412.218 1.558 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788260686 DLKUPFPSFPYPII-NRFANRHFSA-N 416.526 1.896 30 10 HDEE COc1ccc(CN2CCCN(C(=O)COC(=O)c3ccnc(C#N)c3)CC2)cc1 795965954 CQTCKQCHRFVPAA-UHFFFAOYSA-N 408.458 1.853 30 10 HDEE C#CCN(Cc1nc2cc(C(=O)OCC)ccc2n1CC)[C@H]1CCS(=O)(=O)C1 808736010 FQTVATPYSPIEML-INIZCTEOSA-N 403.504 1.855 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC[C@H]2C1 814403571 YNZKUMXICQWUQF-XHSDSOJGSA-N 414.528 1.034 30 10 HDEE C=CCN(C(=O)[C@@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 849504265 BUHLTTLYIAHEPG-QRVBRYPASA-N 408.568 1.436 30 10 HDEE C#CCN(c1nnc(-c2ccco2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1122992180 PIYOSXZYFNSDPU-HOTGVXAUSA-N 404.492 1.734 30 10 HDEE C#Cc1ccc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cn1 1133400206 GWDVRHXTCPDBLN-INIZCTEOSA-N 407.492 1.217 30 10 HDEE N#C[C@]12CN(C(=O)Cc3noc4ccc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1134429033 LTIWUMQUTKPBEZ-MGPLVRAMSA-N 424.276 1.530 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1 1136332068 WBBANKWCCWIJEM-PGMHBOJBSA-N 420.491 1.367 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1 1136358175 IAIDAGORPOWYIK-IBGZPJMESA-N 414.483 1.998 30 10 HDEE C=C[C@](C)(O)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1136501862 HHVQKQCKNRJEQS-SFHVURJKSA-N 413.496 1.365 30 10 HDEE N#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1cccc(Cl)c1Cl 1136668346 NFCOCVAMAGRRBR-LLVKDONJSA-N 408.249 1.592 30 10 HDEE C#CCN(CC(=O)N(CCN1CCOCC1)[C@H]1CCSC1)C(=O)OC(C)(C)C 1141598087 OWOKDSPMFFPVKU-KRWDZBQOSA-N 411.568 1.523 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)CC1 1144025375 AKGMXJBJFBRWKI-UHFFFAOYSA-N 410.518 1.210 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)cc2)c1N 1148517152 OKBMQSZGDXTWKV-GOSISDBHSA-N 407.455 1.726 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCN(c2cccc(Br)c2)C1=O 1152128035 CVQRNELVLIBQES-AWEZNQCLSA-N 408.252 1.717 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)C1 1154958347 DGPJTALPUPOQNR-XMSQKQJNSA-N 401.507 1.355 30 10 HDEE C#CCN1CCC(NC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 1155873490 OIXVKFFYVDDLQE-UHFFFAOYSA-N 415.538 1.902 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1162679181 FMCVTXDGRBPJJZ-KNIMUDFMSA-N 405.520 1.742 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)c1 1166930880 ATVJCAWGHJNXRE-UHFFFAOYSA-N 412.533 1.075 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1178209239 ZZJMNDXDYNIXRE-UHFFFAOYSA-N 404.942 1.912 30 10 HDEE CC(C)(CC#N)CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1191158999 GFODZDCGIJDOBO-UHFFFAOYSA-N 402.270 1.998 30 10 HDEE CCON(CC)C(=O)CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1231041168 JXLFRMXPRHSYFJ-UHFFFAOYSA-N 413.482 1.358 30 10 HDEE Cn1ccnc1C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1233595022 LTUBNLTXYCVDDD-KRWDZBQOSA-N 419.445 1.104 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1264645992 ZAPWYDNFFMOTTN-SFAXUQRRSA-N 408.524 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286276399 REOYWLKCFRUUIF-IWMITWMQSA-N 401.511 1.399 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CN(C)C 1286283598 SWVVOSPIPCLIJU-INIZCTEOSA-N 407.526 1.967 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NC)CC1 1286335741 LPYKUQMVHOLYBW-ROUUACIJSA-N 403.527 1.768 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286335956 OCWXIEZVQFUZNV-QFIPXVFZSA-N 416.570 1.911 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCOC[C@H]1C 1286464233 XGOPHYSJONMKDR-QGZVFWFLSA-N 401.486 1.891 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H]2CCCO2)CC1 1286788936 KIJZLEZCPXSJIZ-LJQANCHMSA-N 410.522 1.962 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)nn(C)c2C)C1 1286812110 MCAIKUSWXPWFPR-KRWDZBQOSA-N 413.526 1.580 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1scnc1C 1286818308 GINOXTCVELXTSY-UHFFFAOYSA-N 421.552 1.681 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NC[C@]34COCCN3C(=O)COC4)c2)c1 1287915299 RZBUUADJQMNGLN-HSZRJFAPSA-N 421.453 1.495 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1288538080 JMJHAWYOJUPUNX-NVXWUHKLSA-N 418.505 1.976 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)CCC2=O)cn1 1290342007 ASVVJRUBKSTUJH-AZUAARDMSA-N 406.490 1.572 30 10 HDEE N#Cc1c(CCCNC(=O)CNC(=O)N2CCCC2)nn(-c2ccc(F)cc2)c1N 1290812329 HKDJPHJMNGKNRR-UHFFFAOYSA-N 413.457 1.319 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCOCC1 1293100151 HZTPIGVWAZRNLG-UHFFFAOYSA-N 424.553 1.546 30 10 HDEE CC/C=C\Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1293694513 KPUCJZXKXINVFP-QZDDGCDVSA-N 405.462 1.887 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1297668015 GENDGGPNQKTCJY-KBPBESRZSA-N 407.496 1.554 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1300266967 BQIMGLRCGQLKMH-HNNXBMFYSA-N 418.523 1.154 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1300307270 DBVNDFXPAIIVBU-HOTGVXAUSA-N 412.519 1.529 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300416959 MRZBFIUFCYTWPN-JOCHJYFZSA-N 421.505 1.492 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](CC(N)=O)C1 1300421565 KRDYNBJNVPBARW-OAHLLOKOSA-N 414.535 1.775 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)c1ccccc1 1300472116 YLAKGSXLLFPECX-UHFFFAOYSA-N 412.519 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1COCCO1 1300522300 ACOGLVRIAPAJJN-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1300559301 NWPHGCGLAGOXFF-VXKWHMMOSA-N 416.522 1.587 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1300596062 KXEHDFSIRPFXTQ-QTIQAUKSSA-N 408.462 1.119 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)OC 1301002046 CEMAWRKZEDROSF-OKZBNKHCSA-N 410.478 1.193 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 1301044021 BKJCHLISJAEWAF-QGZVFWFLSA-N 419.913 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cccs1 1301587267 XZKSMEQISZYYIC-OAHLLOKOSA-N 423.564 1.570 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCCO1 1301588808 JPBXGKWZVWQYKB-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C1CC1 1301589437 RWYVTMDGWYMKOR-QGZVFWFLSA-N 404.492 1.990 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NOc3cccc(C#N)c3)CC2)cc1 1302372117 UXQPPEAEAIZQCX-KTKRTIGZSA-N 406.442 1.882 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 1302921497 HNRXOKQDHVJJPI-UHFFFAOYSA-N 401.488 1.491 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(S(=O)(=O)NC)CC1)c1ccc(Br)cc1 1312936211 HBRBZIQEZRQFJR-OAHLLOKOSA-N 414.325 1.847 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1315087247 CVCWFRDTCORODZ-KRWDZBQOSA-N 408.462 1.342 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCOCC(F)F)c1 1316529626 QJJAJZKJSSKELW-UHFFFAOYSA-N 404.421 1.800 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1350875200 ISOBRAOFZDLNAK-MRXNPFEDSA-N 415.462 1.269 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1nccs1 1355157219 YBYFZNVORUTUJD-UHFFFAOYSA-N 421.500 1.453 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358876491 KXIBHYPXPNZWMS-GJZGRUSLSA-N 418.519 1.855 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1358911832 DOVZBORUEIVIMG-SJORKVTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](OC)C1CC1 1358972178 WUGXSEJNSDFGIR-LJQANCHMSA-N 412.515 1.846 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(OCCO)c(OC)c1 1359006590 AVQZUJXEFWDCCT-UHFFFAOYSA-N 408.462 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](COC)OC)CC1 1359045065 VSTNZSNJMWYPNH-MSOLQXFVSA-N 419.526 1.147 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C)C1CC1 1359251241 GIZCATHMCWOWCM-CQSZACIVSA-N 409.556 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1359320281 OGVILMMYTHFSSH-LPHOPBHVSA-N 410.540 1.267 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCc2ccco2)C1 1359321213 BYTDPVKJGPXSGX-WBVHZDCISA-N 401.467 1.473 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359341036 JUTPDGJKPZXQCN-INIZCTEOSA-N 401.540 1.959 30 10 HDEE C=CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1359876273 WVUNKZDBQOITTM-LBPRGKRZSA-N 405.442 1.982 30 10 HDEE CC(C)CNC(=O)C1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCC1 1435428301 VSNXIJMBPOGVQO-UHFFFAOYSA-N 420.535 1.693 30 10 HDEE C[C@H]1CN(C[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1442330825 YJRVBHGILPQQNE-XHSDSOJGSA-N 423.510 1.837 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2cn(C)c3c(cnn3C)c2=O)ccc1OC 1443924295 HULYAUVBKBWNPP-AWEZNQCLSA-N 409.446 1.892 30 10 HDEE C#CCn1cc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)cn1 1448875833 KQFREASEODEGJU-UHFFFAOYSA-N 414.531 1.770 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1450426686 GNMSIEHNVYPJRC-ICSRJNTNSA-N 417.462 1.163 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1 1452499643 PVBUIHYTVWIELM-IBGZPJMESA-N 404.536 1.657 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN(CC(F)F)C2)ccc1F 1455157346 SVVJYFZMYLMZAC-GFCCVEGCSA-N 405.442 1.607 30 10 HDEE COC(=O)c1c(C)cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)nc1C 1457018831 OPHPGIVSDOPOOE-UHFFFAOYSA-N 401.444 1.910 30 10 HDEE N#Cc1ccc(C2(NCC(=O)NCc3ccc(OCC(N)=O)cc3)CCOCC2)cc1 1460619754 MJEGZPRYHHHOOM-UHFFFAOYSA-N 422.485 1.334 30 10 HDEE COC(=O)c1cccc(CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1C#N 1460780261 KYAVZVVKBYRBEK-GOSISDBHSA-N 402.476 1.440 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)cc1 1467528311 SPMTVWLEELDAPF-INIZCTEOSA-N 410.430 1.433 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1=O 1467531262 DQPLITMWVKNQNT-ZDUSSCGKSA-N 402.436 1.723 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)cc1 1468242399 QCLTVSIIUJXBDX-HNNXBMFYSA-N 409.508 1.631 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C 1469560191 HAGXZRRJINHTBS-YOEHRIQHSA-N 409.508 1.708 30 10 HDEE C=C[C@H](C)ONC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1469732465 HFNZTEGHMHPGJS-ZDUSSCGKSA-N 401.916 1.902 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC1CCCC1 1472285517 ZTUIHNRAGAISPK-YOEHRIQHSA-N 421.519 1.711 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)cc1 1475974045 QKLUOAVSBBUZMZ-OALUTQOASA-N 420.491 1.010 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC2CCOCC2)CC1=O 1503682323 UQEJXJOSLIODIH-UHFFFAOYSA-N 424.505 1.681 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CCO1 1505322055 HQUXAAVZLQHQEW-CHWSQXEVSA-N 404.833 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCOCC1 1507675903 HGMMBSAHOLAUSA-AABGKKOBSA-N 415.538 1.186 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1507921152 RLJGDXHMOOHMTA-OAQYLSRUSA-N 420.558 1.994 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507972659 YXKBHFHIMUPCEW-HXUWFJFHSA-N 407.515 1.190 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 1508096019 AHMFMTBQHBOKIC-QGZVFWFLSA-N 424.549 1.989 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1508121328 DDGZMMUUMVOANL-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCC2)C1 1508142367 CHKZXVRKIZQRTD-SFHVURJKSA-N 407.584 1.896 30 10 HDEE Cc1cc(C)n(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)n1 1511724964 BTTMGOBYLKYKAA-LJQANCHMSA-N 406.494 1.896 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1513167058 DIKYZGKDZDTCOX-IFXJQAMLSA-N 405.478 1.261 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1515320210 LXDIFILCVNLOOF-RIFZZMRRSA-N 404.515 1.610 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1515321452 ZIZGXNPQXPCNSF-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1517125611 SGNYTEBJIKUVCW-KRWDZBQOSA-N 407.478 1.727 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cnc(-c2ccccc2)cc1=O 1519178597 KCHGTBRJHURUMF-MRXNPFEDSA-N 415.457 1.309 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)CC1 1521109790 DPANJBSFYPWWDK-UHFFFAOYSA-N 406.494 1.927 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1 1521583841 PHHAMWDWLUNTNK-RRFJBIMHSA-N 406.435 1.752 30 10 HDEE N#Cc1ccc(C2(C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)CCCC2)cc1 1527009415 JMZYVSWUEUXNCM-UHFFFAOYSA-N 404.470 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)[C@H](C#N)C1 1532608182 UNWIKDPDHFBVIE-CQSZACIVSA-N 424.498 1.053 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1536582825 APYGUMACBBEPFP-UHFFFAOYSA-N 408.505 1.251 30 10 HDEE CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1537006986 ZUGMJVSAWUHFJT-APPDUMDISA-N 409.420 1.012 30 10 HDEE C[C@H](C(=O)Nc1nc2n(c1C#N)CCS2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1537625443 CFHULPYXJVRERY-LLVKDONJSA-N 420.495 1.267 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1538975360 ZUWZJVXULZCDBI-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1nnnn1CC1CC1 1539407900 TWJGFFVVRJEEOY-UHFFFAOYSA-N 410.457 1.615 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnn(C)c2)CC1 1539459879 QUPSPGMRRPEOJV-UHFFFAOYSA-N 405.506 1.703 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ncc(CC)s2)CC1 1539460040 SWHCJSWKKQSEPI-UHFFFAOYSA-N 413.551 1.223 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539488579 BFCAWYYYDYDEGJ-SJORKVTESA-N 419.551 1.265 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)CC1 1539505454 CCSHNVXOVVJOIQ-UHFFFAOYSA-N 420.560 1.897 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1 1539580638 ZFQJUPJBCAYKBC-CHWSQXEVSA-N 416.320 1.578 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1539751531 OVNHQDDXNPVXEX-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540870229 HVCGCMCVRYHDPZ-HOTGVXAUSA-N 404.515 1.317 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC)[C@@H](C)C1 1540873092 MIWXNSNXCIPUMD-AWEZNQCLSA-N 403.556 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1O 1540897819 SWLNAGFVHZARKJ-UHFFFAOYSA-N 421.523 1.359 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C 1540920021 LNLCMBSNCJHQQE-HNNXBMFYSA-N 416.555 1.790 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1541799531 HETXYSVMCKTQQO-AWEZNQCLSA-N 402.466 2.000 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2nncn2C)cc1 1542513168 FFWFVKIWOZTBNQ-OAHLLOKOSA-N 410.507 1.784 30 10 HDEE Cc1nnc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1543126475 DMULKTTVXHKEGE-MSOLQXFVSA-N 421.502 1.969 30 10 HDEE C#CCOCCC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1543336681 YYBRINLGOYLHAF-UHFFFAOYSA-N 413.478 1.948 30 10 HDEE C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1544869954 JVKQNQLHMZVOFY-STGLLQLASA-N 400.483 1.687 30 10 HDEE CCN1CCC(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CC1 1547654660 CRHAQAUFZHYXLS-HKUYNNGSSA-N 420.558 1.853 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1554504191 WRRSPYKIXRIPIC-HNNXBMFYSA-N 424.477 1.847 30 10 HDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1554629961 BIBGKOQAKIRPAQ-AHIWAGSCSA-N 416.523 1.391 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554689468 YSRVDKHSSZKULD-IETCZJMGSA-N 400.483 1.687 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1555991305 YYCWPVWNTFKZAE-ZPHPHTNESA-N 406.450 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)c3cccc(C#CCO)c3)C2)CC1 1556532724 FOLVRPIEVQJZDL-HXUWFJFHSA-N 413.518 1.798 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1557187900 PXIVTQSRHOHKII-FCHUYYIVSA-N 406.442 1.484 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1 1561699213 YVOXHCHGNXCFNE-OXQOHEQNSA-N 406.504 1.956 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1564728989 NDIDTIYRZFTIRF-LBPRGKRZSA-N 422.334 1.999 30 10 HDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)Cc1cccc(OCC#N)c1 1569336902 CGQJSFPMIGMXAX-UHFFFAOYSA-N 403.460 1.828 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCCC[C@H]12 1585636780 NNYVNDVXMGMJJQ-IIAWOOMASA-N 419.503 1.305 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1587915873 UYRUKGZEPBHQPC-BZSNNMDCSA-N 407.559 1.959 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1587990483 YGSDCELFDVWLPO-GOSISDBHSA-N 413.547 1.702 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588073816 FHIMMZXFTJXCFG-XLSPSMHOSA-N 424.567 1.553 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1588121369 CPRLGGLVMRDYPH-ZDUSSCGKSA-N 417.890 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC[S@@](=O)C(C)(C)C 1588159353 UHUKVXYTLKSLKD-MUUNZHRXSA-N 400.552 1.760 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCCC)c(OC)c2)CC1 1588194100 GKDZPUIXIPJRCK-UHFFFAOYSA-N 409.508 1.100 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588224380 XQGKKEGJTRYVNX-MOPGFXCFSA-N 415.563 1.823 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1588742789 UZSPQLSSNDVJTK-OALUTQOASA-N 411.554 1.947 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1593636096 GBDKDFGBKLSPKV-NVXWUHKLSA-N 420.539 1.551 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593758089 ULKMCJYXWMZXFG-MRXNPFEDSA-N 402.499 1.296 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1595602481 LDJPMSGCFQMNTQ-JJRVBVJISA-N 406.531 1.199 30 10 HDEE C#CCN(CC(=O)N1CCN(c2ncccc2OCC)CC1)C(=O)OC(C)(C)C 1595704888 ALAJBISNWQUDRD-UHFFFAOYSA-N 402.495 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1595788631 FAFCVVUJLPMMCH-KRWDZBQOSA-N 420.539 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](CC)O[C@H](C)C1 1595798575 QRUIWSVWZBUZBT-ZACQAIPSSA-N 412.556 1.777 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 1596071525 IIVWLECXDKTFQI-VXKWHMMOSA-N 405.502 1.939 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1608351150 ABNRBKHCLRWFKM-OAHLLOKOSA-N 408.528 1.124 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2cc(C)oc2C)s1 1618688622 WRVTWYSLPBEBSN-SFHVURJKSA-N 412.533 1.989 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnccc1OC 1619990728 YIELCBTWIHZVBK-KUHUBIRLSA-N 404.446 1.896 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 1620024136 DODYDXGAOLVOGE-IAGOWNOFSA-N 407.515 1.816 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620138564 MLZPGQYYWNUICA-MXLIYFDZSA-N 408.462 1.697 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)C1=O 1626598335 QTXIGCMRGLQPFR-OXQOHEQNSA-N 418.498 1.924 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1630579106 DHMHYWHIXUVDBT-CYBMUJFWSA-N 421.441 1.902 30 10 HDEE Cc1ccc(C(=O)N[C@@](C)(CO)Cc2ccccc2F)cc1S(=O)(=O)NCC#N 1630964063 RTCSMZXOCJPEGW-HXUWFJFHSA-N 419.478 1.660 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 1633548393 DZMGLSPZWKRTRW-UHFFFAOYSA-N 419.425 1.728 30 10 HDEE C#CCn1cc(CNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)cn1 1635749662 PVVCXUKBHHKFPI-QGZVFWFLSA-N 405.499 1.188 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1635881659 CGANSRLTDZQBAA-SFHVURJKSA-N 402.470 1.619 30 10 HDEE COCc1ncc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(N)n1 1636309822 DSAQUVNLADMYCJ-LBPRGKRZSA-N 414.853 1.400 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)c(=O)nc1O 1636393357 JJKJQQHUCVUCEU-FVQBIDKESA-N 415.247 1.428 30 10 HDEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCCN(O)C2=O)c1 1636546690 WIJRXHHIYZLFCJ-HOTGVXAUSA-N 407.467 1.627 30 10 HDEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1636742416 YNMCSJXUYZRFQJ-OAHLLOKOSA-N 423.535 1.909 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)CCOCC)c1ccc(Br)cc1 1637663695 ZACVXNRYVCXZTH-CQSZACIVSA-N 403.298 1.196 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1639425098 JQPHIXMMLWDVSW-UHFFFAOYSA-N 416.497 1.171 30 10 HDEE N#CC1(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CCOCC1 1640487329 QTWPWYVDYRAODN-UHFFFAOYSA-N 404.426 1.928 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1c[nH]c2cccc(C#N)c12 1642533133 WYEFXINONNQCBH-UHFFFAOYSA-N 416.434 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2coc3cc4c(cc23)CCC4)CC1 1643370513 ZRERVEZQQVSWAC-UHFFFAOYSA-N 401.488 1.076 30 10 HDEE Cn1ncc(I)c1CN1CCN(c2ccc(C#N)cn2)CC1 1644391740 GXMXCQYVVPTJQD-UHFFFAOYSA-N 408.247 1.614 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2ccccc2F)[C@H](C)O)cc1S(=O)(=O)NCC#N 1644393377 ZECCXVWRQGRNGX-UGSOOPFHSA-N 405.451 1.788 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H](CO)Cc1ccccc1 1645308734 HWUVCRSJEFHOKR-GOSISDBHSA-N 401.488 1.554 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccnc(Cl)c1I 1649012061 SPNKDGDKPQULPJ-UHFFFAOYSA-N 407.595 1.868 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1649539178 CDACMQPIRMSDKK-SJORKVTESA-N 413.570 1.958 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 1651805127 BSHQVLRUHITPLZ-UEXGIBASSA-N 401.507 1.930 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)c1C#N 1654182015 OWPBYUDLOXLIHY-XCLFUZPHSA-N 420.514 1.786 30 10 HDEE CC[C@@H](CC#N)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1654664177 BLNUMWFMBFYNNK-ZDUSSCGKSA-N 414.915 1.581 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1660909201 CBAJQUHMNHVNRX-ZDUSSCGKSA-N 400.439 1.567 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)c(F)c3)CCO2)cc1 1665224122 BNZWFGBDGYIHHT-SFHVURJKSA-N 424.475 1.863 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CC1 1667205969 HHAGZWIVPBRBGO-UHFFFAOYSA-N 416.463 1.359 30 10 HDEE Cc1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)c(OC[C@@H]2CCCO2)c1 1667744010 AWEKNYVCVGDOBR-HNNXBMFYSA-N 413.434 1.509 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 1670465005 ABCOWYXGMKJNOB-SREVYHEPSA-N 409.460 1.039 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1672902192 HQSSVUNHMVPMRB-ZACQAIPSSA-N 424.542 1.783 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1690011424 OEGZFKABPLVTQM-UHFFFAOYSA-N 411.267 1.352 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2CC)CC1 1690154250 LSINRYIJSWZRLI-RTBURBONSA-N 414.554 1.580 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(C)=O)CC2)C1 1690684856 PXMCVOCORQKIEC-GOSISDBHSA-N 418.542 1.456 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCOCC2)C1 1690699628 HGEUOXOGWGNFKC-MSOLQXFVSA-N 405.543 1.674 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC1CCCC1 1692776430 RIXXHUDQKFMMJK-OAHLLOKOSA-N 424.571 1.978 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCCn2cc(CO)nn2)C1 1698483373 APDNBEGCMJAEPB-LJQANCHMSA-N 414.420 1.700 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CCCn2cc(CO)nn2)c1 1698484277 HRRGRCBEFFOTHM-UHFFFAOYSA-N 408.466 1.218 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705534573 LMLMZHMYECIJKI-UHFFFAOYSA-N 413.526 1.947 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1705561407 PWLGWXXBYDNJMC-QFBILLFUSA-N 408.524 1.280 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@@H]2CCOC2)CC1 1705638169 BAIWCOMSQDGFGW-FQEVSTJZSA-N 424.549 1.847 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705693683 JORVQDCFBHQUGA-QFBILLFUSA-N 413.526 1.969 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705822049 QWKYXAITPYBNEU-UHFFFAOYSA-N 424.571 1.227 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(Cc1ccnn1C)C1CC1 1705907619 SABNGXLZELGLHH-UHFFFAOYSA-N 423.525 1.344 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705909522 ZQKAFYKODRBIIW-DFEOGRTESA-N 419.526 1.167 30 10 HDEE Cc1nccn1CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1707785509 GBZJZVNFCOLZDQ-UHFFFAOYSA-N 404.478 1.738 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1709221567 GKXBGMBAZGPSCH-WMLDXEAASA-N 402.524 1.991 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCOCC1 1711419152 ADGYIJMGYBAZJU-UHFFFAOYSA-N 418.523 1.229 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1722324009 KBLJQCSKTUMKKS-GOEBONIOSA-N 419.555 1.549 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722339750 ZRAGECVQMVIZIK-UHFFFAOYSA-N 422.537 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1722374659 ZVGHGPQKBSNSCJ-UHFFFAOYSA-N 411.531 1.370 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(OC)nc1OC 1722424689 WKTYVXWKGNVVOA-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722558104 DYDZVQQSSWDQJZ-HZPDHXFCSA-N 410.950 1.919 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1722604236 WNRFZLHCQCVSBJ-HOTGVXAUSA-N 410.540 1.926 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1722638552 FPBBJRCWJYHJAE-UHFFFAOYSA-N 421.505 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC)C1 1722728333 QDIHHUAQOWQXBE-CABCVRRESA-N 416.569 1.017 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1727000663 FBYXDQVZPPWBFO-KRWDZBQOSA-N 413.526 1.784 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C)n1 1730955869 NELIRAQARUSAKQ-WDSOQIARSA-N 412.494 1.677 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCSCCCO)c1 1731180299 GYAUCJYEOHTIBD-CALCHBBNSA-N 401.492 1.494 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC=C 1740537638 GABYRIXUKMXMIS-QFBILLFUSA-N 410.540 1.377 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622359 XZSHOOISGUPIRI-MSOLQXFVSA-N 417.535 1.638 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)N(C)CC)CC1 1740693110 UFDSZLVAXXJVBQ-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(CC)Cc1cnn(C)c1 1740720404 XIEFDQJNQDUIBH-UHFFFAOYSA-N 401.540 1.527 30 10 HDEE C=C(Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccccc1 1740801039 YTMACJQIDGTJMK-QFIPXVFZSA-N 411.506 1.968 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740955937 DQWQSUOSQHXBFQ-QGZVFWFLSA-N 416.913 1.422 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccco2)C1 1740970096 DRWQHDKXRFZGAG-MGPUTAFESA-N 403.483 1.698 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(C)C 1740992794 UBNAWRZFAIXODI-OAHLLOKOSA-N 418.585 1.263 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@@](=O)C(C)(C)C 1742838526 ZOATXNDIACJFRA-MUUNZHRXSA-N 401.540 1.727 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1745801094 DDVCAFGZRRHYLA-IBGZPJMESA-N 404.421 1.964 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2cccn(CC)c2=O)CCOC1 1746645880 AUSJKAKVVLLOFI-IERDGZPVSA-N 414.510 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1748662681 ZGIUBKWPXYXUKQ-INIZCTEOSA-N 406.494 1.416 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@H](c1ccccc1)N1CCOCC1 1748859027 ADKBYWRNFDZQHY-OAQYLSRUSA-N 407.518 1.961 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCc2nccn2C1 1748965497 SLCJUJHOUNEOSH-IBGZPJMESA-N 405.506 1.809 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCC(F)F)CC1 1748984664 PBVRSCSQRYAVJL-UHFFFAOYSA-N 419.432 1.711 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749032509 JTYCTLXVEJKHPJ-MRXNPFEDSA-N 415.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](COCC)C1 1749677863 MVEILSUGJQQKBJ-GOSISDBHSA-N 415.542 1.695 30 10 HDEE Cc1cc(C)n(CCCn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1751858553 HISUYVHWBSMUKU-UHFFFAOYSA-N 422.541 1.730 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760190187 TZZSDSCLQUVPMZ-XYJFISCASA-N 416.551 1.742 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1csc(COC)n1 1760248944 GKZVICKOWLKDJT-HNNXBMFYSA-N 405.524 1.909 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)N(C)CC)CC1 1760262962 IEDSXUCNLVSWIN-UHFFFAOYSA-N 419.533 1.584 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCN2CC)CC1 1760263716 MLNPMRUJLPPIOH-UFYCRDLUSA-N 416.570 1.242 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760282223 XVPLDXBIWBORSB-INIZCTEOSA-N 403.552 1.597 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCC1 1760503919 IBHMCAICNWWLHU-UHFFFAOYSA-N 424.509 1.865 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760519201 VXXCKGYJSRYNBQ-HNNXBMFYSA-N 423.477 1.396 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(c2ccnn2C)CC1 1760525314 AXMVOGMFYIKOCA-UHFFFAOYSA-N 420.521 1.684 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCOCC2)C1 1760545498 VOGSBSXWDHVWDJ-LJQANCHMSA-N 415.542 1.572 30 10 HDEE CC(C)[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1760963657 FYEBDDTUTACCHU-QTIQAUKSSA-N 414.510 1.933 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCn2cc(Cl)cn2)cs1 1762295642 AADVNNVUKZFTTM-OAHLLOKOSA-N 418.914 1.913 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1764911291 AXGXUCIMTWIPFR-MRXNPFEDSA-N 408.510 1.348 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CCN1S(C)(=O)=O 1770661153 DEESSIGCYOWAJN-AWEZNQCLSA-N 400.508 1.697 30 10 HDEE COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1770975421 KNKMNJNUEAHAEO-NRFANRHFSA-N 413.526 1.782 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1772566819 BMCMCEPPKRQYFT-UHFFFAOYSA-N 400.527 1.829 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)NC1=O 1851594859 CIEQSUBYNDUYFA-SSDOTTSWSA-N 405.764 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)NCc2ccnc(C#N)c2)CC1 1851871990 JRNRUBUEIZKHBR-IAGOWNOFSA-N 413.478 1.285 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3C[C@@H]3CCCO3)cnn2C)CC1=O 1852379140 NZXDEVRDYGOJLA-CABCVRRESA-N 413.482 1.139 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)CC1=O 1852934971 BVTPVZFCGSRTQR-MRXNPFEDSA-N 417.531 1.361 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C(=O)C12CCCC2 1853684678 UUGXBLLFNSHWJA-OAHLLOKOSA-N 402.520 1.840 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O 1854184869 BYCZZZYJLDFFIL-UONOGXRCSA-N 410.396 1.560 30 10 HDEE CCOCC(=O)N1CCC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854364338 JFUVAVRNGLPJJO-GOSISDBHSA-N 400.479 1.598 30 10 HDEE COCC(=O)N1C(=O)[C@H](C)CN(S(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 1854842396 NXTUTGZVXYMMOM-CQSZACIVSA-N 413.455 1.909 30 10 HDEE Cc1ncn(CC(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)c(=O)c1C 1855026791 NSFNIKPQABQINC-OAHLLOKOSA-N 411.437 1.130 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)C(=O)C2)C1 1855121083 NRHALMUEISZTMF-OAHLLOKOSA-N 410.396 1.858 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)c1 1855338395 VIIXEBBGOZPCGP-LJQANCHMSA-N 424.892 1.759 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855596290 HVKAJLIVTOUSIT-ROUUACIJSA-N 423.579 1.608 30 10 HDEE C[C@H]1CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1856088171 GUYZDOFBCATCTI-QFBILLFUSA-N 417.531 1.375 30 10 HDEE COCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1=O 1856276050 RNRABGDRBIGKFW-UHFFFAOYSA-N 405.476 1.267 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C1=O)CC2 1856532068 REWCTTCMVPIPFU-OCCSQVGLSA-N 423.395 1.784 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856548907 UHYYUBFRISNGIP-HOCLYGCPSA-N 401.488 1.457 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3CC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)c2c1 1856552860 LXDMWJFMLRQOGA-HOTGVXAUSA-N 408.458 1.656 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)C(=O)O2)CC1 1856596890 KDUXVLPFZSGPJO-UONOGXRCSA-N 419.450 1.725 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708336 VLOLAYXYIGUPCU-CHWSQXEVSA-N 405.423 1.335 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1CCCOC1 1856896054 POPSOEMGWCVBAK-HNNXBMFYSA-N 405.476 1.453 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2noc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857271001 XHYAEBGDXWKJPP-CRAIPNDOSA-N 410.474 1.464 30 10 HDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(C)CCO)cc1=O 1870559553 GYBIHKDNUCLVNA-UHFFFAOYSA-N 400.475 1.544 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)cc(OC)c3)C2)CC1 1872945470 VHPOSDXBSVSTTQ-INIZCTEOSA-N 415.490 1.598 30 10 HDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1O 1874341178 DEPLJKSBVSZBPL-ANKPHQHTSA-N 419.507 1.683 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(N)=O)CC2)[C@H]1c1ccc(C#N)cc1 1889272667 JRRCHONOAYZISF-RTBURBONSA-N 414.531 1.676 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@H]3C2)cs1 1889591322 VKVPRRYWYRLQMP-GJZGRUSLSA-N 424.530 1.935 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C)CCN1C(=O)OC(C)(C)C 1982282473 XOBRFJAYDILTGC-GFCCVEGCSA-N 412.350 1.366 30 10 HDEE C=C(Br)CS(=O)(=O)NCCC1(OC)CN(C(=O)OC(C)(C)C)C1 1982298465 VBJKHBZUOFHKEX-UHFFFAOYSA-N 413.334 1.840 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1982301336 ASTLFERSCVSSFD-AWEZNQCLSA-N 413.334 1.576 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985105068 NTLLAQRKQAVRGT-GFCCVEGCSA-N 406.292 1.875 30 10 HDEE C[C@@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 1985105156 OXHINYCEAYTWNT-LBPRGKRZSA-N 406.292 1.970 30 10 HDEE CC1(C)OB(c2cnc(N3CCS(=O)CC3)c(Br)c2)OC1(C)C 2004976726 QXLAHZXXAFSCNK-UHFFFAOYSA-N 401.135 1.712 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](N2CCN(C(=O)C#CBr)CC2)C1 2006223283 YZRQTPCZIXBMCB-CQSZACIVSA-N 400.317 1.886 30 10 HDEE C#CC[C@@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2074733571 AZPULMWLFXMBNU-AUUYWEPGSA-N 408.451 1.065 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2172716242 WBBIGPUKSHVNIU-LBPRGKRZSA-N 400.737 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)c2ccc(C#N)s2)CC1 2174789108 MOUBSINNRXPCGB-GXTWGEPZSA-N 415.537 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nccc(C#N)c2Cl)[C@H]2CS(=O)(=O)C[C@@H]21 2174813585 YCMWNBAYIYKNFG-STQMWFEESA-N 412.899 1.829 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)N[C@H](CCS)C(=O)O)C1(C)C 2180235632 GCLDFEQVELZVKD-FMTVUPSXSA-N 404.529 1.974 30 10 HDEE CCS(=O)(=O)CC(=O)N(C)Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2189441836 OZNSZWDXWVUBSW-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE COC(=O)CS(=O)(=O)N(C)Cc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237637980 ZNNHCTSDRCFJDE-UHFFFAOYSA-N 403.331 1.290 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(C#N)s1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238441012 MOFKDTPQYPLOIB-SJKOYZFVSA-N 415.537 1.906 30 10 HDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243378962 BSOYWNUZQMWHMQ-HNNXBMFYSA-N 408.304 1.716 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN1C(=O)OC(C)(C)C 2243397856 KISINFZRBJVYKJ-UHFFFAOYSA-N 407.280 1.112 30 10 HDEE CC1(C)OB(c2ccnc(N(Cc3ccccc3)CC3(O)CNC3)c2F)OC1(C)C 2247283208 ABIHVSZWXUWNDT-UHFFFAOYSA-N 413.302 1.861 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2247803094 AZUPKUAJZGKTNY-BTYIYWSLSA-N 420.315 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815012 WGZMTHQHOTYBHF-FQEVSTJZSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247820773 RXAISEDVHMWQCF-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE Cc1nn(C)c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247830371 YVOCZKFLGJCBCF-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1OCc1ccccc1 2247858132 LFWUTSLXUQPRKY-HOTGVXAUSA-N 412.299 1.592 30 10 HDEE C[C@@H](CN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248061533 QXVLWCJATOXOLG-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnn(Cc2ccccc2)c1 2255654225 UERGNCVHDHVISU-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE Cn1nc(C(=O)NCc2cnn(Cc3ccccc3)c2)cc1B1OC(C)(C)C(C)(C)O1 2255834204 FPMMEGXOYNZMCN-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)[C@H](O)C(F)(F)F 2265291965 CURSQJWQVUCFQU-FXQIFTODSA-N 404.407 1.081 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267704113 ILHQHDKAIFAWES-BUBHHJDNSA-N 407.388 1.401 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282333243 LXVFYGVIIDFMIJ-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CC[C@H](CCN)C2)OC1(C)C 2282490479 IKKCTCYGKJYFOF-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE CC1(C)[C@@H](O)[C@@H](O)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282651577 CDBHRTBQSLYLLP-GWCFXTLKSA-N 401.721 1.657 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@@H]3[C@@H](O)CO)c2Cl)OC1(C)C 2282655425 PIWHVYDBHKQYCJ-NEPJUHHUSA-N 401.721 1.659 30 10 HDEE C[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C1CNC1 2282828235 KYYWSWFISXTKFS-NSHDSACASA-N 400.737 1.525 30 10 HDEE CCO[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282840442 NINXTQLHOHYXFZ-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE C[C@H]1CN[C@@H](C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282853081 YEXJUXMWUIPZSP-STQMWFEESA-N 400.375 1.666 30 10 HDEE C=C(CS(=O)(=O)NC[C@@H]1CCS(=O)(=O)C1(C)C)B1OC(C)(C)C(C)(C)O1 2282871521 INPQHUFRWIJBPF-ZDUSSCGKSA-N 407.363 1.307 30 10 HDEE C=C(CS(=O)(=O)N1[C@H](C(=O)O)CS[C@@H]1C1CC1)B1OC(C)(C)C(C)(C)O1 2284416065 TWQGFLSLABEVRO-QWHCGFSZSA-N 403.331 1.742 30 10 HDEE C[C@H]1C[C@]1(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416587 ZVKZPQCBXKJNAO-MGPLVRAMSA-N 401.315 1.330 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCc3csc(CN)n3)c2)OC1(C)C 2286720740 IAMIHHASZJTXEJ-UHFFFAOYSA-N 415.371 1.441 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc([N+](=O)[O-])cc1 2331260389 AZEVQBYFDBCWPZ-UHFFFAOYSA-N 406.468 1.876 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2338630090 KXCBAQGFSQSPQI-CXAGYDPISA-N 400.522 1.500 30 10 HDEE CSC1(C(=O)O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2362090775 QORPIMXVFNRACJ-UHFFFAOYSA-N 419.355 1.238 30 10 HDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)C#CC(C)(C)S(C)(=O)=O 2365171398 IYBPPOXKVKQJJB-QLFBSQMISA-N 403.497 1.031 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@H](N)C#CC(C)(C)S(C)(=O)=O)OCC12CC2 2365205123 RYPGCYHOBJTLNB-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365208112 BHFZYQVOQKFGGP-OWCLPIDISA-N 402.557 1.673 30 10 HDEE COCCn1cc(C#C[C@@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)cn1 2365962883 VLBXVXDKYUBNJH-HXUWFJFHSA-N 412.490 1.372 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367786059 UQEXJPJCQONQMA-GJZGRUSLSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C(C)(C)C1 2367813439 DHYDANGBNGMPKC-IFXJQAMLSA-N 400.541 1.292 30 10 HDEE CN1CCN(c2cc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)ccn2)CC1 55243308 JNOHRWIEQLKJEF-UHFFFAOYSA-N 405.911 1.837 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C(F)(F)F)c1 55947892 DSUHPCSLZQYDON-UHFFFAOYSA-N 419.406 1.703 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(C#N)cc4)nc23)C1 65151875 XYRMJOPAYVECQO-HUUCEWRRSA-N 405.462 1.884 30 10 HDEE C=CCOc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)cc1 66228991 ZMPSDKYVAJJSBX-SFHVURJKSA-N 403.479 1.580 30 10 HDEE C#CCn1c(=NC(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(S(N)(=O)=O)ccc21 263628509 LREPOMVLVHHBIS-UHFFFAOYSA-N 416.440 1.633 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](c1ccc(F)cc1)N1CCOCC1 301169305 FSPVHWFWGUVGCT-IBGZPJMESA-N 404.467 1.830 30 10 HDEE CCNC(=O)c1ccc(NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 428096570 ATWQQDSMJXJFKT-UHFFFAOYSA-N 408.441 2.050 30 10 HDEE Cc1nccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)n1 429925628 NGAGQMJCZNDMNB-CQSZACIVSA-N 414.491 1.825 30 10 HDEE CC(C)Oc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)ccc1C(N)=O 433710265 ZCKWVTLLKISQRM-CQSZACIVSA-N 423.477 1.977 30 10 HDEE CC(C)Oc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1C(N)=O 433967102 XZTDLZMKVIMPCF-UHFFFAOYSA-N 415.471 1.998 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccccc1 441190604 STZDCXLJTYKBGW-DZRGKWQISA-N 413.474 1.747 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nncn2-c2ccccc2)CC1 444591312 NOMINMVIBWZLRH-UHFFFAOYSA-N 408.487 1.645 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 468389823 MKOFJMJGLNSQMG-FQEVSTJZSA-N 400.866 1.473 30 10 HDEE COC(=O)[C@](C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 469653557 LQDKGCJISUOORV-JOCHJYFZSA-N 407.474 1.916 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 473322925 FVSGPIPWPZKGTP-KGLIPLIRSA-N 403.508 1.797 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nnc(C(=O)Nc3ccccc3)s2)CC1 476679811 ALXLSHJRVAMCPK-UHFFFAOYSA-N 400.508 1.210 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nc3cccc(Cl)c3n2C)CC1 483313921 CQXYHGFNGUTABX-UHFFFAOYSA-N 404.902 1.356 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 492292219 VTTYBPJCQNERGW-DLBZAZTESA-N 406.324 1.999 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCC3CCS(=O)(=O)CC3)C2=O)cc1 504395274 HIZNJCLWKHBEIA-SFHVURJKSA-N 418.519 1.568 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 505198830 PYKUTDQHMSHYIF-IBGZPJMESA-N 424.501 1.945 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(Cc2nc(C)no2)CC1 508463341 GLRLPYCSDLASQP-UHFFFAOYSA-N 420.477 1.928 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)Cc3ccccc3F)CC2)c1 513787088 SUVUVCZYHAWIPQ-UHFFFAOYSA-N 415.490 1.858 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCC(NC(=O)c2ccccc2)CC1 534834166 LPFZOCPIDMIFLI-UHFFFAOYSA-N 423.521 1.149 30 10 HDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1 538451600 JYCYWCGMYQFVBU-UHFFFAOYSA-N 408.505 1.199 30 10 HDEE CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 540603877 AXARHROKJIAOFH-CYBMUJFWSA-N 420.495 1.779 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@@H]3CS(N)(=O)=O)n2)c(Cl)c1 542726148 MVSRCEOOVQBUNM-GFCCVEGCSA-N 408.871 1.682 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)n1 554297465 LYIRMZDSDCUUBV-LJQANCHMSA-N 417.473 1.907 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 561098978 JVAGKWZJBFMOLV-AWEZNQCLSA-N 403.464 1.262 30 10 HDEE CCOC(=O)c1c(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)sc(C)c1C 586296746 ILASMFBGSHYLHY-HHHXNRCGSA-N 413.521 1.601 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)c1 614359601 KVCZFOZFOQXNPJ-HNNXBMFYSA-N 420.516 1.851 30 10 HDEE Cc1cccc(C)c1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O 727415759 ZUVQQNIDEJJWKO-UHFFFAOYSA-N 405.479 1.891 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CCC2)C1=O 735224843 WWFJZBFPZRKYQW-KRWDZBQOSA-N 418.519 1.967 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 753961637 FSYULBIOIOQNCT-UHFFFAOYSA-N 408.433 1.609 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C/c3ccnc(Cl)c3)CC2)o1 757757078 PXRQCMNNNYMRJF-NSCUHMNNSA-N 415.837 1.808 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)NCc2ccc(OC)c(O[C@@H](C#N)CC)c2)C1 761690096 XPMJZSWBOFGAMK-HZPDHXFCSA-N 403.483 1.979 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)cc2F)c1=O 767881440 XKYHPKYVGGDSSD-UHFFFAOYSA-N 422.428 1.846 30 10 HDEE N#Cc1ccc([C@@H](OC(=O)c2cnn3cc(Br)cnc23)C(N)=O)cc1 769898349 WDHXQXGKBAYBQS-CYBMUJFWSA-N 400.192 1.747 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CO)c1cccc(Br)c1 771201485 CWNBYTRXKSFJIZ-CMTMBAJVSA-N 408.252 1.515 30 10 HDEE Cn1c(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nnc1-c1ccccc1 771856909 VOCKSDJEJIUNDR-UHFFFAOYSA-N 411.443 1.375 30 10 HDEE C[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](C)CN1C(=O)OC(C)(C)C 772854209 DODWTTDJFLDFHS-WTIFFKHKSA-N 406.483 1.759 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccccc1F)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152027 FATUPJBJYGABPE-YOEHRIQHSA-N 404.467 1.481 30 10 HDEE Cc1sc2ncc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c(=O)n2c1C 776065842 DGJAYQFEFMKPNV-UHFFFAOYSA-N 402.457 1.504 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2cn(C)nn2)c1 783044114 HTVHXBSGFYRDNP-OQKWZONESA-N 419.511 1.730 30 10 HDEE N#C[C@H](C(=O)CN1C(=O)CCc2ccccc21)C(=O)NCc1ccc([N+](=O)[O-])cc1 787056003 IYQOZXGCGSKJTK-QGZVFWFLSA-N 406.398 1.899 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 805112431 BEIQTSHSMVNCKJ-SJORKVTESA-N 423.539 1.438 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 807923587 FYKAJVHKDAHVJU-QRWLVFNGSA-N 403.442 1.981 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 810166499 UCKBJOUYTCGTPP-LSFYYWBFSA-N 406.508 1.877 30 10 HDEE C#CCOCCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 810631393 TTYPBCGRWJMRHP-CYMYHSCOSA-N 405.450 1.659 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)c1 1125187609 QXFMZSHWXMNNQK-QZTJIDSGSA-N 415.490 1.995 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1125784703 PIFRIQBSLYBCGE-MOPGFXCFSA-N 407.555 1.971 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnn(CC(F)(F)F)c2)c1 1137336985 CDTMNRLPBKLGGU-UHFFFAOYSA-N 404.345 1.812 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@H](C#N)CO)c2C(F)F)C1 1140739335 HTUHDPCKFMKYSN-ZJUUUORDSA-N 400.386 1.012 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCN3CCCO)ccc2c1=O 1159091398 OHKKGUIBTUZGBZ-HNNXBMFYSA-N 402.520 1.448 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)cc1 1162475471 XRADCYJCNNWOTR-LLVKDONJSA-N 407.473 1.332 30 10 HDEE Cn1c(=O)[nH]c(N2CC[C@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1164164922 LKFNCEHWWBZOKB-WDEREUQCSA-N 417.388 1.227 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2cccc(COCc3ccco3)c2)c(=O)n1C 1166613885 CUJBXHJCXGMDTP-UHFFFAOYSA-N 422.441 1.353 30 10 HDEE COC(=O)c1cccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)c1 1176700515 RSPGTGOUQBJZJB-HNAYVOBHSA-N 417.512 1.967 30 10 HDEE C=C[C@H](C(=O)OC)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1195135138 FFHROGZGYNUXJR-BBWFWOEESA-N 422.526 1.582 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(CNC(C)=O)ccc1OC 1212415810 PMVVLANPCUMMLB-UHFFFAOYSA-N 410.492 1.297 30 10 HDEE C#CCN(C(=O)CN(C(=O)c1ccccc1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1264995311 AYNIVRKYFLJZEH-FQEVSTJZSA-N 410.495 1.982 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1286361103 LJRUOKZGRMQULP-CYBMUJFWSA-N 422.580 1.536 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC=C 1286377608 ZHMCDCQXEBGWTM-KRWDZBQOSA-N 400.504 1.863 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCSC1 1286419689 CTBJXTMWGILVPE-JKSUJKDBSA-N 409.581 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1286422386 LWDQKWMGBPMRFL-HTAPYJJXSA-N 413.522 1.308 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(CC(C)C)CCO1 1286438182 CKDJVAQEOWKDKA-FQEVSTJZSA-N 409.538 1.498 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286451810 BVQRWAICKUMXSQ-NYUBLWNDSA-N 404.511 1.800 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1286688018 OMAORYCJOIDPKT-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H]1CCOC1 1286794025 TUCDKXUJJCSLKF-JFIYKMOQSA-N 405.543 1.972 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286966536 ABWLFWFKSQQIPS-KFWWJZLASA-N 416.448 1.641 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C 1288606564 GADFDGXNMYGKHA-PBHICJAKSA-N 402.524 1.390 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C[C@@H](CC#N)c1ccccc1 1288699190 IBPRXNWASZDKLX-HXUWFJFHSA-N 406.486 1.965 30 10 HDEE COc1ccc([C@H](CNC(=O)c2cccc(C#CCO)c2)N2CCOCC2)cc1OC 1290547300 KFTCCLZOANOQJD-NRFANRHFSA-N 424.497 1.851 30 10 HDEE C#CCOc1ccccc1CNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 1293533406 DMIXGORBLLFPLK-UHFFFAOYSA-N 404.444 1.293 30 10 HDEE CCN1CCCC[C@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1296079398 FWWLPOOIPLKKSI-AEFFLSMTSA-N 409.542 1.838 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2nscc2I)CC1 1296947025 NYNIPLMRJJPBJR-UHFFFAOYSA-N 403.245 1.349 30 10 HDEE C#CC[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1299179418 YCPFOGMNNIILIL-KBPBESRZSA-N 405.455 1.145 30 10 HDEE C#CCCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424198 COLSWIPAEZEBLQ-RTWAWAEBSA-N 404.511 1.728 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300482304 DRCFSNZHRQWCGU-MJGOQNOKSA-N 407.584 1.725 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@H]1C 1300578147 IBMBCVPORWGASH-NYDSKATKSA-N 422.485 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1300579347 UBDWWXSBERZUOT-MSOLQXFVSA-N 403.552 1.127 30 10 HDEE C#CCN(C(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C1CSC1 1300607176 BBUTZOGBKCBGAH-UHFFFAOYSA-N 403.529 1.913 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC)C1 1300665134 XSPGMKAUXGPOPW-INIZCTEOSA-N 414.510 1.434 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2conc2COC)CC1 1300701454 UZILCPPDXSSUCG-UHFFFAOYSA-N 424.480 1.946 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](CC)N2CCCC2)CC1 1300731334 ORVFIHFLCFGIAC-LJQANCHMSA-N 416.570 1.655 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1301271641 YUTQBSWNAAWXIA-RXVVDRJESA-N 406.575 1.578 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301475759 XSYYNRNPEFEQHQ-BHIYHBOVSA-N 402.543 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N(C)C(C)=O)CC1 1301490153 LJTADXWTRQQVKZ-UHFFFAOYSA-N 400.483 1.596 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1301553716 RJPMUWPMDWOQOA-JQHSSLGASA-N 402.499 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301588965 MXSGOONGHBGDLI-CVEARBPZSA-N 414.572 1.708 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1301652948 QDBOJJRQDQJPPV-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(OC)CCOC1 1302055240 VZTAKGCTXSLCBY-UXPWSPDFSA-N 407.515 1.938 30 10 HDEE N#Cc1cc2c(n(CC(=O)Nc3ccc(S(=O)(=O)C(F)F)cc3)c1=O)CCC2 1307402628 GNGQGLCNKRAVNK-UHFFFAOYSA-N 407.398 1.844 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1309763296 YQVLYTOOKNHUQE-HWRSSNJWSA-N 423.944 1.899 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n(C)n1 1320853009 WHDPDFUOKACALG-ZWKOTPCHSA-N 406.490 1.738 30 10 HDEE C[C@@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1349165161 KOEFEGBIZFSTQB-HNNXBMFYSA-N 406.508 1.796 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCC(=O)N2)cc1 1351077692 XRXMQEWWTIEAHE-SSPLZPMDSA-N 424.548 1.450 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1 1358992627 QZNNJVLAVGFQAX-SFHVURJKSA-N 421.501 1.952 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1359238214 CKQIFHNIPZPBJQ-IVZQSRNASA-N 424.505 1.837 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359301831 MRIBVFHDIYTBPX-GOSISDBHSA-N 415.542 1.498 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1359334589 KTNQVGFNISONNP-HNNXBMFYSA-N 407.521 1.260 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359455726 ZYRRQWSQTWQAHA-NRFANRHFSA-N 407.478 1.059 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1360475980 GFEPDNACXWGVMP-SUFIHLRJSA-N 421.567 1.860 30 10 HDEE COCC1(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1439098054 AKAYTGKJGOLXHY-UHFFFAOYSA-N 405.520 1.986 30 10 HDEE C#CCN1CCCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1444336175 DVRVOGMDHXDSIG-UHFFFAOYSA-N 419.547 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1448500183 HOVXKEXYBXLESZ-FQEVSTJZSA-N 423.441 1.397 30 10 HDEE C[C@@H](CN1CCOCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1448791612 FJKQOACOCJHINV-KAIODVNGSA-N 420.554 1.952 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc([C@H](C)C(=O)OC)cc1)c1cc[nH]n1 1451289259 BIBYHSINSBADDW-LBPRGKRZSA-N 402.407 1.609 30 10 HDEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1452948091 QUVWUXPAIZFSDA-QGZVFWFLSA-N 407.879 1.925 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1455950416 YUBIUPQIQDKDKB-CALCHBBNSA-N 419.547 1.312 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncon2)C1 1456013459 IWIVAIDGCKRHSU-ZDUSSCGKSA-N 403.464 1.295 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cnn4c3CCCC4)C2=O)cc1 1456260821 HIAGWDCUKLOVLO-QGZVFWFLSA-N 406.446 1.612 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CCOCC1 1464124910 OYQHSUHZZPUOAH-SFHVURJKSA-N 414.549 1.424 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2COC3(CCCCC3)O2)s1 1466423155 LLJXFCKKILIPEC-CQSZACIVSA-N 414.549 1.947 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n(C)c1C(=O)NCCO 1467795057 ZENQKPMOBBZLNY-CQSZACIVSA-N 423.514 1.639 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CCCC=C)NC(=O)OC(C)(C)C)CC1 1467815453 YTDRRVIIMFVUNF-KRWDZBQOSA-N 406.527 1.130 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCCC1 1470194775 XNCXWCRDLPTNGK-BRWVUGGUSA-N 409.552 1.686 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1470663840 ROSWEEHOVZBSPR-RXCRORICSA-N 404.488 1.559 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1)C1CCOCC1 1470866173 NMYOSYQRZOELCO-AWEZNQCLSA-N 406.464 1.552 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 1472118585 YIDOTOPPAAYNTE-KSFYIVLOSA-N 422.522 1.990 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H](CO)C1 1473787688 SNWIHAMBILQWFJ-INIZCTEOSA-N 413.474 1.200 30 10 HDEE CO[C@H](CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCCC1 1475099638 GTTIWYXAGRMPHD-MAUKXSAKSA-N 407.540 1.784 30 10 HDEE C=CC[C@@H](NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccncc1 1477933643 PJWJRYULYBGEND-LJQANCHMSA-N 413.522 1.844 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@@H]2C)CCO1 1503770724 FHAXDIAIGSZDNI-VPKVUBIPSA-N 424.505 1.319 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1507572587 OUYZMUUUCZVLEF-CQSZACIVSA-N 400.449 1.903 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(OC)CCC1 1507979655 BMWOFSQWQSGEEP-OAHLLOKOSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1508086891 MLBNUXFQXVGFAY-UHFFFAOYSA-N 400.443 1.404 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508153275 JQAUQWYSNQHXFJ-KRWDZBQOSA-N 402.524 1.601 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1512496393 FDFUHZSMRKIHIN-IERDGZPVSA-N 412.494 1.020 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1516197233 LAUXAQJSIYEFGZ-QHAWAJNXSA-N 419.526 1.866 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC2(C1)OCCO2 1519161713 ALFIOFUHBFHNGB-CVEARBPZSA-N 418.498 1.139 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1519413155 JZKLYPCNGBWKTJ-APWZRJJASA-N 415.494 1.599 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCOC2)c1 1521075051 HFEFBJQVXXYCDV-QGZVFWFLSA-N 424.505 1.714 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@](C(=O)NC)(C(F)(F)F)C3)cc2C1=O 1538031307 FVGGBGXMFOIAAQ-SFHVURJKSA-N 409.364 1.609 30 10 HDEE C#CCN(C(=O)C(F)(F)c1ccc(OCC(=O)N(C)C)cc1)C1CCN(C)CC1 1538520466 YJANRGWDJSWSDI-UHFFFAOYSA-N 407.461 1.801 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538992012 JARIREAYXUWYRF-HZPDHXFCSA-N 417.535 1.693 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1539176986 XJHASCPRSBYRMJ-INIZCTEOSA-N 418.542 1.940 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1539219344 JANDBUVARSKQKZ-OXJNMPFZSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@@H]1C[C@H]1CF 1539257420 JGEFREBDSDBGMS-GOEBONIOSA-N 400.483 1.842 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)C(C)(C)C 1539299865 NXAXGKZKMRMJJC-QFIPXVFZSA-N 415.538 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1539315315 IFCAACSANBSZGQ-UHFFFAOYSA-N 419.533 1.276 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1539467017 LPQICAVQYMTEMT-NRFANRHFSA-N 400.527 1.020 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1539517471 OEYPPLLBHKPGDV-IXDOHACOSA-N 424.592 1.409 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539586184 JCFRKRFGKPUJSN-UONOGXRCSA-N 403.284 1.964 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O 1539644233 GDEVJBUTNPBWFX-ARFHVFGLSA-N 413.544 1.096 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539983099 VIXAZYQCTBFNJF-UONOGXRCSA-N 414.532 1.131 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540026217 BBOBAIAFVOIALM-NRFANRHFSA-N 415.542 1.572 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540873684 GIQYIFMRQCYZCI-OALUTQOASA-N 424.549 1.875 30 10 HDEE CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1548292528 HWEUDXUQTJMMSN-UHFFFAOYSA-N 415.519 1.745 30 10 HDEE COCC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555453069 DTAZWCNWGXABEP-LSDHHAIUSA-N 419.507 1.556 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1556806254 IGRYMFPKIRPZOW-IAGOWNOFSA-N 420.514 1.911 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1557106293 BABRCGCOEAIKSZ-UHFFFAOYSA-N 401.448 1.509 30 10 HDEE Cc1nn(-c2ccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)c(C)c1Cl 1557599568 CBTSODCTSMEWHX-UHFFFAOYSA-N 412.837 1.707 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1557721518 POCFUYDCXVWTHB-CQSZACIVSA-N 414.487 1.154 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1558382849 GKPYYDNVTMOMHX-PXNSSMCTSA-N 424.519 1.456 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCCN(CC#N)C1 1558940479 XGKPMNATOCRVJE-SQNIBIBYSA-N 421.586 1.564 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 1559039392 VNRXDMJXMSEHSV-KGLIPLIRSA-N 403.464 1.234 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 1559915819 BDYRQUWMBPVVKF-RBUKOAKNSA-N 400.523 1.975 30 10 HDEE CO[C@@H]1CCOC[C@H]1NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1560172588 ARLVAVVKUKKYNX-QKYXUNIQSA-N 416.522 1.750 30 10 HDEE N#C[C@]12CN(Cc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1560193885 MZRWJAXDMOYVTP-GXTWGEPZSA-N 402.257 1.661 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1562813221 JUBLIPVSJKVLDX-UHFFFAOYSA-N 411.304 1.020 30 10 HDEE C#CCOCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1564426552 OUYLYJZGKTYGTF-OAHLLOKOSA-N 409.483 1.268 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1564964855 OVBUNKXVMJTOAD-DLBZAZTESA-N 415.471 1.468 30 10 HDEE C#CCN(C(=O)NCCc1cccc2c1OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 1565094525 HBHVZEWCJBZKHK-CYBMUJFWSA-N 400.403 1.383 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C[C@H]21 1569515399 YFPLWRBTUHAYAH-FOLVSLTJSA-N 404.264 1.634 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nc(Br)c2ccccn12 1585295877 IFCGTFPVGVTJEF-QINSGFPZSA-N 404.224 1.353 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1 1585594623 ZITYGYCYTYECMK-ZDUSSCGKSA-N 411.549 1.845 30 10 HDEE N#C[C@]12CN(C(=O)/C=C/c3ccccc3OC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585660305 JELXWNGGDCZYII-PXONKACGSA-N 400.378 1.995 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)CCS2(=O)=O 1586023381 RVJDRCHHYHFLMX-LASWEOPPSA-N 412.414 1.465 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1587562346 OGGGOWWUKZCOCE-LZWOXQAQSA-N 424.596 1.711 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(CC)CC)N1CCOCC1 1587897964 ANGOIFFCJFUFAN-LJQANCHMSA-N 416.570 1.721 30 10 HDEE CS(=O)(=O)C1(C(=O)N[C@@H](C#N)c2ccccc2Br)CCOCC1 1587957488 BJNRCYWKPGFAIU-ZDUSSCGKSA-N 401.282 1.724 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC[C@H]1COCCO1 1588113901 VFIZTXZTPQTFJS-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC 1589567887 GOVFVYSASWXMGM-FCEWJHQRSA-N 416.526 1.097 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1593636372 JWPVPGOXLAUSST-CABCVRRESA-N 413.544 1.048 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1593752367 HNRFCBADZGYEIH-SFHVURJKSA-N 411.510 1.413 30 10 HDEE C=CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1595051011 SBCLQDRTXUWRTP-CQSZACIVSA-N 405.528 1.115 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1595536895 IDRRMSRGPBKURT-GOSISDBHSA-N 419.489 1.572 30 10 HDEE CCN1CCC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1597023230 UOLDADJNEUTMSY-MRXNPFEDSA-N 420.535 1.413 30 10 HDEE Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1611160293 RIEAPBARGHYFRN-KSSFIOAISA-N 417.516 1.065 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)c(=O)c1C#N 1611230490 BKBWITNUMUFNPX-BZPMIXESSA-N 421.295 1.864 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1611287281 SHJRODNAIIOGDE-OAHLLOKOSA-N 401.515 1.559 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)ccc1F 1611306147 BVMYTEJCAUDEDY-KFWWJZLASA-N 413.515 1.518 30 10 HDEE C[C@@H](C(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)n1cnc(C#N)n1 1616284587 KAIFQFJSXJSPIL-ZDUSSCGKSA-N 404.471 1.338 30 10 HDEE C#CCC1(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1616762480 JMWGOAJHTQCJFQ-UHFFFAOYSA-N 407.488 1.700 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1617420030 MSRYSYOAVZPVMW-GDLZYMKVSA-N 416.551 1.936 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1620429539 WLZLHKPVAVXRFL-OHQAAIJDSA-N 421.519 1.074 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)c(OC)c1 1626230994 YVTBZJQNARVTOR-UHFFFAOYSA-N 411.524 1.190 30 10 HDEE COc1ccc(CC(=O)NCC2(C#N)CCC2)cc1S(=O)(=O)N1CCOCC1 1626741104 CPGGPGIZILYMMM-UHFFFAOYSA-N 407.492 1.069 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCn2c(O)nc3ccccc32)c1 1629533182 JIMIOGZSTHWSGO-UHFFFAOYSA-N 402.407 1.608 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C2)c(=O)nc1O 1633316964 CRKCXEXDMDNTPW-KBXCAEBGSA-N 409.446 1.555 30 10 HDEE C#CCC1(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCOCC1 1638615751 PHWYNGGTCWBAON-AWEZNQCLSA-N 402.513 1.003 30 10 HDEE Cc1ccc(C(=O)NCCCn2ccc(O)nc2=O)cc1B1OC(C)(C)C(C)(C)O1 1640232239 MEOYXWVRIZSAQQ-UHFFFAOYSA-N 413.283 1.377 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CC[C@@](O)(CC#N)C3)CCC2)C1 1643609555 NPTHBMFIHDTRSD-PZJWPPBQSA-N 407.511 1.796 30 10 HDEE CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1644809696 YEAJTPBLWIIIEW-HOCLYGCPSA-N 423.535 1.989 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](O)(CC)CCC(F)(F)F)c1 1645753254 CKKFMYMBIUZINK-MRXNPFEDSA-N 406.426 1.812 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC[C@@H](O)COc2ccccc2C#N)C1 1648332701 CIMCEIMVRVUTSB-DYESRHJHSA-N 405.495 1.650 30 10 HDEE C#CCN(CC(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1)C(=O)OC(C)(C)C 1648613585 YXMRFERGAAHXCA-NDEPHWFRSA-N 414.572 1.670 30 10 HDEE CCn1c(C)cc2[nH]nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c2c1=O 1651095717 TUXUHOFHGSTYGJ-AWEZNQCLSA-N 404.430 1.916 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1654524177 VWADRNWQGRMDSW-QUCCMNQESA-N 418.563 1.517 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1659257763 FJFFYNGPNOGIGI-UHFFFAOYSA-N 419.956 1.916 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c2ccccc12)C(=O)OC 1661654599 RWIHDVROYYTDQQ-INIZCTEOSA-N 407.444 1.649 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 1663980128 UDRITHXTSKVELB-WKILWMFISA-N 404.488 1.411 30 10 HDEE COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1664242375 GSJCNFBUPDFESN-NSHDSACASA-N 423.285 1.739 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1672952778 YMTXTKKRUPWQSA-UHFFFAOYSA-N 418.475 1.044 30 10 HDEE Cc1cc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1683200097 MFHVFRUHEUJPEO-UHFFFAOYSA-N 418.251 1.658 30 10 HDEE NS(=O)(=O)c1ccc(CCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1685645965 FWGHXOGXJVQOOO-UHFFFAOYSA-N 407.492 1.314 30 10 HDEE C#CCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941924 XZIALEKKSXAPOE-GHTZIAJQSA-N 403.527 1.253 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1690077561 RHOYVVUSQDEIQJ-CVEARBPZSA-N 416.503 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCSCC1 1690100924 ICERZLJDRNRVPL-UHFFFAOYSA-N 400.552 1.783 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC=C)CC1 1690137364 WIOXQNCNBSMCBO-UHFFFAOYSA-N 421.505 1.857 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690464689 IMQSLQFJWZILRQ-DNVCBOLYSA-N 423.539 1.567 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690495557 DUGWRNVYOYINGT-UWJYYQICSA-N 419.526 1.491 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1690597070 IQRLWRJQSYHOEP-GFCCVEGCSA-N 409.434 1.352 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@@H]1CCOC1 1692519047 LXOVXWLRRAUUQY-MRXNPFEDSA-N 404.515 1.742 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCn2cncn2)CCOC1 1692577563 BFUKJDZEFINNDC-UXHICEINSA-N 414.514 1.740 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1698016787 CPCTZNTYNUKQKZ-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1705500010 DPFJXPYXPAGIMO-MOPGFXCFSA-N 415.586 1.132 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1705501222 GQEPJILIECOBEW-HZPDHXFCSA-N 418.519 1.758 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705517878 BBXRIORHGZLXMY-UHFFFAOYSA-N 403.490 1.724 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCn1cccn1 1705550315 GDYUPAIEFAAJEO-UHFFFAOYSA-N 412.523 1.594 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)C(=O)NC)[C@@H]1CCS(=O)(=O)C1 1705567701 YMAPRHKIUXIGBB-OAHLLOKOSA-N 423.583 1.266 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1705642290 OATCXFOJHJILPI-UHFFFAOYSA-N 421.549 1.824 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCc2nc(C)no2)CC1 1705647124 AVWPAUBMDZBBJH-UHFFFAOYSA-N 411.510 1.836 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1705686692 HWXPFOLNDWSAAR-UHFFFAOYSA-N 424.303 1.058 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1705695825 CPXQHTHJILOFAB-MCIONIFRSA-N 419.498 1.715 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705890395 NTSBPNQZWONBKZ-JKSUJKDBSA-N 410.540 1.388 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1706070880 OTCUPTRIEAKKOP-NWDGAFQWSA-N 411.919 1.581 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1706594060 RZQNLMZPDIVQJM-VBKZILBWSA-N 414.466 1.313 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1707909709 DESHTJCAKQUECM-SFHVURJKSA-N 414.535 1.752 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1722359609 PBCJHZBCTLABLC-HNNXBMFYSA-N 406.508 1.898 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](COC)OC)CC1 1722438775 BKXQUHRRPBWUON-SFHVURJKSA-N 401.486 1.425 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC[C@H]2COCCO2)CC1 1722439505 FCJIGDDAWXFBNZ-SFHVURJKSA-N 401.536 1.491 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@@](=O)C(C)(C)C)CC1 1722560116 PVAPUUXXETYUQJ-IYJVBRSBSA-N 417.601 1.592 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)CC1 1722566759 YREVVWONPWMWJN-INIZCTEOSA-N 423.564 1.877 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN(CC)S(C)(=O)=O)CC1 1722569113 NFGHNPXHWFQPEL-UHFFFAOYSA-N 424.571 1.229 30 10 HDEE C=CCN(c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1722649927 GNVVXTVNCBMOAX-UHFFFAOYSA-N 422.580 1.807 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1)C1CC1 1722650601 GMJBTHZVUXXZJO-MRXNPFEDSA-N 423.583 1.182 30 10 HDEE C=CCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1722690257 CQPGWZBGDKURBG-LJQANCHMSA-N 403.462 1.372 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(CO)CC1 1722693113 DFVMZQJWMRJNDE-UHFFFAOYSA-N 400.439 1.364 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1728779871 DIXMOPYMKKPYFC-CSODHUTKSA-N 419.526 1.600 30 10 HDEE N#CCSCC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739160645 JZNCRLJQGCGFLJ-GJNTUIEKSA-N 403.548 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740532249 CVKWJNJMDDMRQR-CABCVRRESA-N 405.524 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740555076 ZZVSBDNCWAOODN-QAPCUYQASA-N 424.505 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(C)=O)c1 1740642296 UOOVCAAOWSJTPG-UHFFFAOYSA-N 404.474 1.480 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2C[C@H](COC)OC)CC1 1740695284 LSHMUSAOZGJBLW-QGZVFWFLSA-N 408.506 1.843 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2cc(C)cn2)CC1 1740697529 HXJONGZWOAEZNN-UHFFFAOYSA-N 405.506 1.914 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OC)C1 1740876092 OALUWNSMRJYUFK-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1740884781 MTPGHBOXKGRZNN-KRWDZBQOSA-N 400.483 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740956790 QDWWMYRZZWVRMO-GOEBONIOSA-N 414.897 1.616 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1741801655 CCHUSVNOIQPGOT-WMZOPIPTSA-N 423.521 1.852 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@@H]1C 1743142767 GCEAGPQZHDJABR-HUUCEWRRSA-N 402.524 1.991 30 10 HDEE CCOCc1nnc(N2CCO[C@H](Cn3cc(C)cn3)C2)n1Cc1ccc(C#N)o1 1747233708 UALDDZGSWBDIPP-SFHVURJKSA-N 411.466 1.738 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748747158 CUESUXKEFNNHHI-IBGZPJMESA-N 420.517 1.534 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748750446 GYNDBMGCPACSMY-CVEARBPZSA-N 412.498 1.117 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@@H]1CC 1748760299 ZESNBKOCZJXLTM-AWEZNQCLSA-N 400.508 1.398 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748808692 GBCVEIGQPLFOHQ-SFHVURJKSA-N 415.519 1.098 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCO1 1748959950 BIPIXINIFOHWQB-HNNXBMFYSA-N 408.462 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)COCCO1 1748965289 PRFCOCRDHPKMLP-IBGZPJMESA-N 405.524 1.525 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2ccc(F)cc2)CC1 1748991203 SKAGDEBBKGZAIV-VQIMIIECSA-N 410.497 1.927 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2ccnc2C)CC1 1748993027 NKTGJJZYKRFWEC-UHFFFAOYSA-N 407.497 1.968 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(Br)c2)n1CCS(=O)(=O)NC 1749467729 ZQTYGIDYZYTMDI-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)=O)CC1 1749680685 NSZSJTTZTIINOX-UHFFFAOYSA-N 412.494 1.136 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1749702914 AIUSWHVRRXHIFD-KRWDZBQOSA-N 416.507 1.147 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749730483 FZMDWHBPDRWEFL-GJZGRUSLSA-N 409.512 1.114 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1750076136 KVINCCMAJVTRQI-PMPSAXMXSA-N 417.539 1.235 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1760104987 KLRQWQMLSAJSGW-BHYGNILZSA-N 400.479 1.960 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760170343 YSJWDLVCIWZHKA-MSOLQXFVSA-N 414.535 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1760216803 BTRJIRFJIBAFTJ-GOSISDBHSA-N 412.519 1.227 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCN(C)C1 1760246378 PQYFKJOCGHHVMW-HXUWFJFHSA-N 403.914 1.751 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](C)N(C)C)CC1 1760262481 ZBUMOZMFRQMMQP-YLJYHZDGSA-N 410.522 1.496 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1760272662 RGVWSOMZZRQTNK-QGZVFWFLSA-N 420.583 1.037 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1760280242 DYNGAAMETBUBEV-ZDUSSCGKSA-N 404.508 1.782 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1760365666 FHMIDZNYYDIWSO-UHFFFAOYSA-N 405.890 1.446 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1760560218 QCPSVKQZOADOPS-CQSZACIVSA-N 415.585 1.424 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1760691544 OBNZPICANDKYOA-AWEZNQCLSA-N 415.523 1.962 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H]1COCCO1 1760697902 YVPMYDDYIGBAPL-WMZOPIPTSA-N 409.494 1.918 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C(=O)NC)n1Cc1ccc(C#N)o1 1762186352 LSPDAMRDDDDIHO-ZDUSSCGKSA-N 415.498 1.528 30 10 HDEE CCc1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764909589 OFPBIQLSANYTAZ-MRCUWXFGSA-N 421.505 1.823 30 10 HDEE CCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1765322207 HYEHUCZUTNHKNS-LJQANCHMSA-N 409.429 1.632 30 10 HDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1765980015 DJMSSDFVWQGXKW-UHFFFAOYSA-N 416.551 1.783 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1768587046 NHHYJPNLBIUYHF-LJQANCHMSA-N 422.489 1.457 30 10 HDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1771232350 SEVNCKRZNVUQCL-JKSUJKDBSA-N 420.514 1.180 30 10 HDEE CS(=O)(=O)CC1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1771352228 HUHMKJSILWMTKR-KSSFIOAISA-N 411.503 1.439 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)NCCC(=O)N2CCN(CCC#N)CC2)c1C 1850919089 UOWBFTOSFKZQHT-UHFFFAOYSA-N 406.552 1.647 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1850954462 VXEWKDUHQDNOMB-INIZCTEOSA-N 416.478 1.765 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@H](C#N)C1 1851070324 TYZCMPQTUSBNRW-UKRRQHHQSA-N 419.425 1.759 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ncc3c(n2)CCN(C(=O)c2ccccc2)C3)CC1=O 1852047741 NXTSDTQTQHWXEA-MRXNPFEDSA-N 405.458 1.648 30 10 HDEE N#CCC(=O)NCCOC(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O 1852504993 XSMBBTWRUJPPGN-UHFFFAOYSA-N 415.837 1.379 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C)cc4)C3)C(=O)C2)C1 1853741830 RFYFVDAKHNPLCI-QUCCMNQESA-N 410.518 1.279 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)COCc2ccccc2)C1=O 1854351934 OPNMCPPFEPGMGS-PMACEKPBSA-N 413.518 1.830 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@H](c3ccccc3)S(=O)(=O)CC2)CCC1=O 1854357626 RPSAIMJWFWDWQE-FUHWJXTLSA-N 403.504 1.527 30 10 HDEE CSc1ccc(CCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855028954 JKOPZOKZIKCUIT-GOSISDBHSA-N 400.548 2.000 30 10 HDEE N#CCCCN1CCN(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)C(=O)C1 1855546258 OTWFXPYOUAOSAF-UHFFFAOYSA-N 401.467 1.846 30 10 HDEE COc1ccc(CCC(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)cc1 1855788310 AXTOTCKNLCJYSQ-UHFFFAOYSA-N 413.455 1.861 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2ccc(N3CCOCC3)nn2)C1=O 1855853973 OZNXWMDIHJJQBZ-IEBWSBKVSA-N 413.522 1.875 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(N(C)C)ccn2)CCN1CCOc1ccc(C#N)cc1 1855906390 FDVFVSCTHIIQLH-INIZCTEOSA-N 407.474 1.771 30 10 HDEE CN(Cc1nc(-c2ccccc2)no1)[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1=O 1855981432 BNQQWKMACWAJIK-KRWDZBQOSA-N 402.414 1.876 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856518798 OZTFPAGZADKIPN-WMLDXEAASA-N 405.462 1.244 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857055207 AVRQTCUCPMFCCZ-MJGOQNOKSA-N 401.482 1.852 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)CC(F)(F)F)C2)CC1 1857384420 MEYJWGSWHSNOOU-CQSZACIVSA-N 409.412 1.793 30 10 HDEE N#Cc1cccc(NC(=O)c2cc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]cn2)c1 1858249139 QDSSMYZJPSGKJV-UHFFFAOYSA-N 422.470 1.324 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cc(OCC)c(OCC)c(OCC)c1 1861490113 MGWUXJZFIXGGSI-CVEARBPZSA-N 406.479 1.760 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCC(C)CC2)cn1CCO 1870495701 DQSSQQRHAHSFJF-UHFFFAOYSA-N 403.523 1.652 30 10 HDEE C=C[C@H](O)Cn1c(C)nc(I)c1I 1883341119 XIXAGUHVKBEWLW-LURJTMIESA-N 403.989 1.948 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@@H]1C#CCN(C)C 1889871344 HKCNTKOFVTVYCV-OALUTQOASA-N 420.579 1.348 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1982304430 QTUXNGJCEAGXSO-NEPJUHHUSA-N 413.334 1.839 30 10 HDEE CN(CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 1985098871 CKMXITWHOAEFBF-UHFFFAOYSA-N 406.292 1.971 30 10 HDEE Cc1csc(CNS(=O)(=O)C[C@@H]2CCCO2)c1B1OC(C)(C)C(C)(C)O1 2157020577 UCTWRZQVJKYQGQ-ZDUSSCGKSA-N 401.359 1.954 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(F)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174780586 WJZYLNFVHAKTEW-TUBUQKNSSA-N 404.508 1.699 30 10 HDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(C#N)CC2)C1 2174780974 ANTVGUZWZAYEOD-HUUCEWRRSA-N 402.517 1.081 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NS(=O)(=O)N1CCC(C#N)CC1 2174789758 UWQIKPJCHSMVKL-ZIAGYGMSSA-N 400.545 1.948 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)[C@H]1CCCCN1S(=O)(=O)N1CC(C#N)C1 2185158219 GYTXCHSJAVPDPC-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H](CN)c2ccsc2S(C)(=O)=O)[C@@H](C#N)C1 2194937136 HUASQVBYZNESEI-GXTWGEPZSA-N 414.553 1.596 30 10 HDEE C=CC1(NS(=O)(=O)N2CCC[C@@H](CC(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 2196123088 XIBVVUOGHNINMF-ZDUSSCGKSA-N 403.501 1.183 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2241672850 WKFKCJOTRCJQHX-KBPBESRZSA-N 401.504 1.800 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243386580 CUYFNGLXNRVZJK-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE C[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243386597 CYYFEHKYHDMFEU-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243425513 NIEAEHHHLHHVSE-CQSZACIVSA-N 400.288 1.138 30 10 HDEE Cc1nc(NC(=O)CONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2243675834 BDSRKRLWQOUOHO-UHFFFAOYSA-N 408.264 1.479 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243755888 DBEXUEBWGIBGDW-CYBMUJFWSA-N 411.283 1.817 30 10 HDEE Cc1c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247776883 FRPKRCBWWQKTJX-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247916748 DDTGZZPSRLQKNS-QWHCGFSZSA-N 420.319 1.742 30 10 HDEE C=C1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258161694 GKXMRYMDLVXKOF-QGZVFWFLSA-N 410.492 1.873 30 10 HDEE C#CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC(C)(C)C1 2259897220 GJBSOCDGCKMRBQ-OAHLLOKOSA-N 408.476 1.477 30 10 HDEE Cn1ncc(NS(=O)(=O)Cc2ccc(C#N)cc2)c1I 2280046386 UUUJJBLJTUPFOF-UHFFFAOYSA-N 402.217 1.838 30 10 HDEE CN(C[C@H]1CNCCO1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281948223 ZOBWPJKIUUQFMW-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@]3(CO)CCCNC3)sc2Cl)OC1(C)C 2281961118 IXLGSKVXWDEZED-QGZVFWFLSA-N 400.737 1.545 30 10 HDEE CC[S@@](C)(=O)=NCCNC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281981617 OLWRTBKWFAPARV-AREMUKBSSA-N 401.363 1.598 30 10 HDEE CCN(CC(N)=O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282413537 GJSMYLIQEPJPBD-UHFFFAOYSA-N 402.709 1.135 30 10 HDEE CC(C)(O)[C@@H]1CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501999 FFGXGNRPIUEQNG-ZDUSSCGKSA-N 401.359 1.722 30 10 HDEE C[C@@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282619961 YNCCMHAFHACBKE-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE CCN(C[C@@H]1CCCN1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849189 XQRHAQKIDJLKEL-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE COCC[C@@H](COC)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282873051 FWLPWBZHSDRKGC-LBPRGKRZSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3C[C@@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284393486 LMWQCLYNDDQMPX-CMPLNLGQSA-N 401.677 1.391 30 10 HDEE C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284411421 JZBFBQQYJMZTBG-JQWIXIFHSA-N 401.315 1.674 30 10 HDEE CSc1nc(C2CC2)nc(=NC=C2C(=O)c3sccc3N(C)S2(=O)=O)[nH]1 2297564725 BCCGVYBNMNKWMC-UHFFFAOYSA-N 409.518 1.870 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2339668027 PSXBHHIWFJGUFJ-WIYYLYMNSA-N 422.547 1.565 30 10 HDEE CN[C@@H](C#CC(C)(C)OC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363542696 WDDYZQXANYTPRW-GJZGRUSLSA-N 402.557 1.816 30 10 HDEE CSCC1(NC(=O)OC(C)(C)C)CC(O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365172486 ZUXXWXWBWVTISP-UHFFFAOYSA-N 419.565 1.534 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(CCNC(=O)OC(C)(C)C)C1 2365204795 ZWXWDUCCLTWZNM-XAUUPUKJSA-N 402.557 1.457 30 10 HDEE COCCn1cc(C#C[C@@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cn1 2365963212 YJJCTPIPUGKDKD-IFMALSPDSA-N 412.490 1.372 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1 2367791421 JEYUHJGNTQVMLZ-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 7936335 JNEWUBAZRRURFZ-UONOGXRCSA-N 419.459 1.441 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(Cl)c(C#N)c1 55576806 YSJVZZLXJXJEKS-JTQLQIEISA-N 411.892 1.999 30 10 HDEE C=CCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(Cc2ccncc2)c1=N 100851523 NBPSRQUFPIAGQV-UHFFFAOYSA-N 400.442 1.796 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1 254392462 ZWXWUBFLSCXHKZ-QWHCGFSZSA-N 400.453 1.682 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254513948 JJCBBYLBKQSFNG-HUUCEWRRSA-N 424.500 1.746 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 409557976 NUQCLQHBBBJKPB-UHFFFAOYSA-N 420.535 1.395 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)N1CCSCC1 410015534 NJZWJWADNIDCDC-QGZVFWFLSA-N 411.549 1.456 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1=O 429469980 LXNFOFUQFBYDMK-MDYRTPRTSA-N 418.501 1.947 30 10 HDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1ccccc1COc1ccc(CC#N)cc1 466676996 IETGATGCXAUSGG-UHFFFAOYSA-N 419.445 1.452 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@](=O)C[C@@H]3c3cnn(C)c3)cc2C1=O 467594042 LAXFPPYZTWTPND-JWRCQZCYSA-N 412.471 1.148 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CC1 468981895 MPIVWVYYPUGEKM-IBGZPJMESA-N 406.477 1.376 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CCCC3)CC2)c1C#N 472991291 HICFBCFJZWXRLH-QZTJIDSGSA-N 412.538 1.678 30 10 HDEE Cc1ccncc1N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 478190644 ORJXHDFBDKWBSJ-IBGZPJMESA-N 424.574 1.983 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)c1 478771598 YHUCZTPDZCVTPQ-JKSUJKDBSA-N 410.492 1.334 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCCN2C(=O)c3ccccc3C2=O)cn1 480207924 VDDFNQQRPQNEEP-UHFFFAOYSA-N 415.413 1.947 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 480271767 TTWAUAAMTSJMHB-OAHLLOKOSA-N 410.496 1.471 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 485990090 NDLREDZKXOWTNN-FQEVSTJZSA-N 404.470 1.822 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487207742 YOMYAWAJOSJRDC-INIZCTEOSA-N 410.434 1.391 30 10 HDEE Cn1nccc1C1=CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 511071665 AFSRWCKBCIVLMT-LJQANCHMSA-N 410.547 1.980 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 543053906 BRGFJIDBWMNWLZ-UHFFFAOYSA-N 408.462 1.651 30 10 HDEE CCN1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1cc(F)c(F)c(F)c1 543893553 ZFFPDDFVXDBXON-HOCLYGCPSA-N 407.396 1.620 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCC(=O)N3CCc4ccccc4C3)CC2)n1 544842074 ASAYXWGIMNUHCM-UHFFFAOYSA-N 404.474 1.370 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCC[C@@H](S(=O)(=O)N(C)C)C3)c2c1 557697591 FDPCVGAGKCHPLI-OAHLLOKOSA-N 404.492 1.984 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 567064460 UGKQBQMDYDZMBI-PKOBYXMFSA-N 406.504 1.157 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cnc3c(cnn3-c3ccc(F)cc3)c2=O)nc1 580235765 PCFQFNULUXVNMJ-UHFFFAOYSA-N 424.417 1.462 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)c2C(N)=O)C1 586297914 AHAVUQFRPGMMFL-NQNZVUTLSA-N 424.548 1.031 30 10 HDEE CCOCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CC(C)C 603798874 HTPWCLDKFMMDFU-UHFFFAOYSA-N 413.543 1.612 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3cn4ccccc4n3)CC2)c1 611088837 CTSUVTGWOWEZNX-UHFFFAOYSA-N 409.515 1.797 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 611266180 PMOKKSYBVKPVOT-XMSQKQJNSA-N 400.523 1.792 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(OCCCO)CC3)C2=O)cc1 611564744 IPWHADOSVCRYGM-LJQANCHMSA-N 400.479 1.627 30 10 HDEE COc1ccc(CN2C[C@H](COS(C)(=O)=O)[C@H](C(=O)OC(C)(C)C)C2=O)cc1 725238762 YWSXETBADWNIGN-ZBFHGGJFSA-N 413.492 1.588 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@H]1CSCN1C(C)=O 730306415 VOMFSVVPJSKLQT-CZUORRHYSA-N 405.476 1.795 30 10 HDEE COC(C)(C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 730882548 ORGSLUSAAPFOJM-UHFFFAOYSA-N 402.407 1.423 30 10 HDEE C#CCN(CCC(=O)Nc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731213916 YWAOQVCYFKFQNQ-OAHLLOKOSA-N 410.492 1.163 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3ncccc23)c1C)[C@H]1CCS(=O)(=O)C1 731339659 DCLXCRHQVLTFNX-HNNXBMFYSA-N 409.471 1.386 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734293013 COOSQSSERWKVPN-OAHLLOKOSA-N 413.521 1.266 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)C1 748321107 GGKVPBFXNQGWRD-INIZCTEOSA-N 419.489 1.805 30 10 HDEE CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4cccc(C#N)n4)CC3)nc12 760911245 OOZLOXRRJGCTMM-UHFFFAOYSA-N 407.434 1.200 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 767983014 XDPZWUHWXRMEDZ-HXUWFJFHSA-N 423.602 1.654 30 10 HDEE Cn1cc([N+](=O)[O-])c(C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 772053066 XTSWHTKUUVTLPI-UHFFFAOYSA-N 410.308 1.672 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 774187202 DUSLNUNGBDFVBF-IAGOWNOFSA-N 405.520 1.353 30 10 HDEE C#CCN(C(=O)NCc1cccc(COC2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 774210684 BIOQBXQIKVBALR-IBGZPJMESA-N 420.531 1.714 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3cnccc3c2)c1=O 782602180 YBYOVKSTIKECKR-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCC(F)(F)F)c[nH]1 789990256 JODWEGMSEKWDAE-UHFFFAOYSA-N 413.385 1.805 30 10 HDEE COc1ccc(OC)c(C2=NO[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)C2)c1 792033009 GLBFBEVHHJJYGZ-FQEVSTJZSA-N 421.457 1.812 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)ccc1F 794315827 ZKRIIVOUQKKTQZ-IBGZPJMESA-N 412.483 1.700 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)[C@@H](C#N)c1nc(O)c3ccccc3n1)C2 796520453 SLVHOLVGMDGADC-QDUSTFBWSA-N 410.430 1.023 30 10 HDEE COC(=O)[C@@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 797861781 BKAUFPGGTQRYRO-SFHVURJKSA-N 405.451 1.822 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@]1(C)CCC(=O)NC1 798778604 AIXSSZMYLFQYIO-FQEVSTJZSA-N 404.467 1.411 30 10 HDEE CC(C)n1nc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C)c2ccccc2c1=O 800734011 HDPJNCKYIGMCBZ-MRXNPFEDSA-N 418.505 1.949 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@H](C(=O)OC)C1 800783118 NGMCSGPOYVMVNR-INIZCTEOSA-N 415.450 1.269 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN(C)C(=O)OCc1ccccc1 815950242 NBEPYZXDSLMNMZ-UHFFFAOYSA-N 401.444 1.940 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3F)n2)o1 1084616820 AVTBDZCCPRMZGI-UHFFFAOYSA-N 404.431 1.744 30 10 HDEE C[C@H]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)cn3C)c(C#N)cc2C1 1134922996 GMVNBPHKDWFYNS-LBPRGKRZSA-N 401.492 1.919 30 10 HDEE C#CC[C@H](NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)C(=O)OC 1141995707 XDOHEFGIKKYTFZ-AWEZNQCLSA-N 404.810 1.118 30 10 HDEE Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cnn1CCC#N 1153448201 QLCAEFRRJKADOV-UHFFFAOYSA-N 403.464 1.848 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(OC)cc3)cn2)CC1 1157008698 BJMGVZUZZQUXQE-UHFFFAOYSA-N 408.458 1.390 30 10 HDEE C#C[C@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1167413243 AQLWNKZQQVKCCY-SHBDEGQCSA-N 411.502 1.445 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncc(C(=O)OC)s2)s1 1178006106 NOPAEBDPAIEGNY-UHFFFAOYSA-N 415.518 1.314 30 10 HDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)C1 1179421764 FQXMAJUBKOVPJZ-UHFFFAOYSA-N 400.403 1.107 30 10 HDEE CN(CCC#N)S(=O)(=O)N[C@H](c1ccc(Br)cc1)c1nccn1C 1213172873 BNQXDPJHZUMLGG-CQSZACIVSA-N 412.313 1.952 30 10 HDEE C=C[C@@H](COC)NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1235206343 WMPFODVDHTXKNW-OHNQJVKOSA-N 411.499 1.675 30 10 HDEE CN1C[C@H](CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1251103851 IYZKSAAYDAXUCT-OAHLLOKOSA-N 409.494 1.426 30 10 HDEE CO[C@@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[C@@H]1CCOC1 1252898780 ATVBGBNUJJINGY-MJGOQNOKSA-N 400.479 1.970 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1286394336 OLVXVEGYRJHRDY-MOPGFXCFSA-N 414.531 1.765 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(=O)N(C)CC 1286455043 ASTRUYWRJQKSFT-UHFFFAOYSA-N 407.453 1.992 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1286764530 RQNCECWISMWXJB-OFJJUDJNSA-N 417.535 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1286821540 OPEFADKQHZKMAG-OAHLLOKOSA-N 411.572 1.572 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N(C)CCOCc2ccc(C#N)cc2)c1 1298755550 RTJGVTXJDIUEHH-UHFFFAOYSA-N 403.460 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1300310900 PSNPAVRTSVHPLP-QAETUUGQSA-N 409.556 1.505 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cs2)CC1 1300382297 PNSFYJJTVNDFIW-UHFFFAOYSA-N 401.540 1.921 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300409120 PKSHLBUNBZOKGZ-MRXNPFEDSA-N 424.509 1.158 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1300465302 LHXVWSUINRQGTH-AWEZNQCLSA-N 418.475 1.057 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(N2CCOCC2)nc1 1300467025 CKBUKNHKVCNULY-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](F)COC)CC1 1300726837 SBWPAJRHGFSLKX-GOSISDBHSA-N 414.485 1.214 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1300972785 PURSVTXEXGEZRN-OAQYLSRUSA-N 421.542 1.785 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1301229470 RLCQMOFRMFMIKQ-OAHLLOKOSA-N 401.471 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCC2(O)CCOCC2)C1 1301553379 LHBHTWOEXMNURH-KRWDZBQOSA-N 401.511 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1301585804 BKPPAOIGVCPTBK-SJLPKXTDSA-N 419.551 1.868 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)COCCO1 1301810253 YAITXPBVLMCNAO-LJQANCHMSA-N 420.539 1.806 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@H]1OC 1302030743 UIYUKHQXJMVDGA-OLMMMNRUSA-N 411.478 1.496 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)n2)CC1 1302924002 HLGIAUIXIZLITE-UHFFFAOYSA-N 415.519 1.023 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)c1 1303314051 MAWPMFUTXHBARP-INIZCTEOSA-N 418.475 1.625 30 10 HDEE N#C[C@]12CN(C(=O)c3ccsc3NC(=O)c3ccco3)C[C@H]1CS(=O)(=O)C2 1304272339 ROMWQOAQVJGIQN-APPDUMDISA-N 405.457 1.604 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)nn1 1309603090 CWHLLTZULHOCDW-UHFFFAOYSA-N 404.370 1.748 30 10 HDEE C#CCN(C(=O)N[C@H](C)CS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1311962860 GOHYQSMFVSLVCG-OAHLLOKOSA-N 415.556 1.854 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2C(C)C)CC1 1312458360 BQAIZMKXJRVWDA-QUCCMNQESA-N 418.563 1.741 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1314403064 FGWGDRRIYSBPAE-YMGMXPECSA-N 403.508 1.470 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1316175548 CDJVDKPDUXGPRZ-CZUORRHYSA-N 422.427 1.938 30 10 HDEE C[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN(C)C(=O)OC(C)(C)C 1322734279 HOQRZVFPLTZDRW-UWZWCOGJSA-N 409.487 1.315 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1358894395 NUIFMIXBTJJXCJ-OAHLLOKOSA-N 414.535 1.747 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358918513 XTGMYKVWZGMUJT-ZWKOTPCHSA-N 421.567 1.937 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1358937616 BJTWJBDPRAJAAJ-ZIAGYGMSSA-N 410.569 1.322 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1358953694 GGXDPFRIPVNYGB-UHFFFAOYSA-N 418.519 1.902 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358983383 FYPXDDLUVPZHRN-UYAOXDASSA-N 420.517 1.871 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1358999482 SIZHYQOWYCRLLP-UHFFFAOYSA-N 403.446 1.532 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C)N1CCCCC1 1359018335 MGOLSPFDSAFVDN-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1359197498 QXBOWDABAXDCGX-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1435716837 UDNZWKBFZSVNQS-KBPBESRZSA-N 402.517 1.066 30 10 HDEE CN1CCn2c(CNC(=O)c3cccc(Nc4ccc(C#N)cc4)c3)nnc2C1=O 1455384280 RAEQUMZOOILSSD-UHFFFAOYSA-N 401.430 1.909 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2)nc1 1456061306 KREMNZMPKFXMTC-KDOFPFPSSA-N 412.475 1.086 30 10 HDEE C=CCn1ncc2ccc(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)cc21 1456531575 FJRRVGVIOREIDK-HXUWFJFHSA-N 411.506 1.874 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ccsc3C#N)CC2)cs1)C(N)=O 1461539800 DFJYCRTYVYZTAU-LLVKDONJSA-N 421.573 1.933 30 10 HDEE COc1ccccc1C1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 1469737135 PEAKFODPRYQSHX-UHFFFAOYSA-N 409.446 1.517 30 10 HDEE Cc1ccc(C(=O)N2C[C@@]34CCCC[C@]3(COC4)C2)cc1S(=O)(=O)NCC#N 1470500226 CPFWSKKPHYQHKA-WOJBJXKFSA-N 403.504 1.830 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c(F)c1 1471134254 SJQLSCRFBWYUDY-FQEVSTJZSA-N 418.425 1.471 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccc(Br)c(C#N)c1 1472088250 PCTCMBDMLBZYIA-UHFFFAOYSA-N 411.237 1.128 30 10 HDEE COCCOCCN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 1473602089 HGENUQFOCBZOHB-GOSISDBHSA-N 409.490 1.504 30 10 HDEE COC(=O)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CCCCC1 1473629403 UAXNUVKLCPSVIT-UHFFFAOYSA-N 403.483 1.311 30 10 HDEE CS(=O)(=O)C1(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCCC1 1478595137 QFBDPYFMEUFXND-MRXNPFEDSA-N 405.524 1.897 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1494135742 GNWOJAQVRLULSV-BTYIYWSLSA-N 410.526 1.939 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@H](C)O1 1494236474 QTMXTQLAULCATK-HOTGVXAUSA-N 422.493 1.604 30 10 HDEE CNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1503812596 DHXSJZIQROKUBR-OAHLLOKOSA-N 411.514 1.184 30 10 HDEE COCCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1505013684 AOLQDQPQRSJEMH-ZWKOTPCHSA-N 413.478 1.584 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1505120482 GGSNIUPPPBEPNB-LSDHHAIUSA-N 409.512 1.216 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1507514519 NVMDVLXMKRSRBB-MRXNPFEDSA-N 408.506 1.770 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1507538818 PDNSZECIIOPMMJ-CRAIPNDOSA-N 414.531 1.816 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507576650 YXAMWPJFDSDLNG-LAUBAEHRSA-N 403.527 1.789 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCNC(=O)C(C)C 1507770649 PSCBXYNYWFMFPO-OAQYLSRUSA-N 400.527 1.555 30 10 HDEE C=C(Cl)Cn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507875719 WUBQFRFUIUPOHA-KHYOSLBOSA-N 409.918 1.786 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507942199 BWIYBVLGDNOZRB-HUUCEWRRSA-N 412.560 1.350 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507965886 RNQGTQACUYNIBP-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC1CCOCC1 1508098042 WKGSSGMDCUBNIH-WMZOPIPTSA-N 407.515 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)COC(=O)N2 1508131654 OLCAJIOTXZLQSQ-AWEZNQCLSA-N 411.528 1.471 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508132629 XFYPIQCZCCZOQE-DVSFIDLUSA-N 412.494 1.538 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](COCC)C1 1508137746 QRXMYIUYAZRYLL-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1514406075 MEDMLDBBGGHMPW-QGZVFWFLSA-N 407.478 1.154 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1517628332 PBHSEKVIDMDIJI-MRXNPFEDSA-N 418.523 1.227 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1521063338 PHZHGKHYAKRFKG-NHYWBVRUSA-N 407.418 1.251 30 10 HDEE Cn1nc2c(c1C(=O)OCc1cc(Br)cc(C#N)c1)CS(=O)(=O)CC2 1524918864 HPDNEPQOTUDZPT-UHFFFAOYSA-N 424.276 1.882 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CCCN1C(=O)OC(C)(C)C 1532280205 FQZWFMDSRPMKKM-SFTDATJTSA-N 423.510 1.076 30 10 HDEE Cn1cc(C(F)F)c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1535637655 WRQPKKJJAPWUHC-AWEZNQCLSA-N 416.388 1.751 30 10 HDEE CCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)C(=O)OC 1536305117 OMULLWSYHRMEAK-CJNGLKHVSA-N 400.435 1.563 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)s2)C1 1537529756 SWWKKRBHGTVHFX-CYBMUJFWSA-N 413.521 1.774 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC(=O)N2C(C)(C)C)cn1 1538588635 GWUZEADDAXSZQO-PKOBYXMFSA-N 414.506 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1538976138 JESZTOVJRUWSCI-ABSDTBQOSA-N 424.567 1.744 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC(C)(C)O)c1 1539037649 HUUIRAFVSDIMDI-UHFFFAOYSA-N 412.494 1.243 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1539207001 YPRSWXXXVWBYBK-QGZVFWFLSA-N 423.583 1.103 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1539344547 BXIZRSZUEXKSKY-HXUWFJFHSA-N 424.567 1.603 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1539362153 QQPWJRIFNABQJX-UHFFFAOYSA-N 414.491 1.488 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1539407998 XCWBWCWBVASLRY-UHFFFAOYSA-N 403.508 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(OC)CCOC1 1539417777 TXZYISUXMHRBPQ-OAQYLSRUSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2OCCC2(C)C)CC1 1539430794 OEOMHSIRJDEKDO-ZWKOTPCHSA-N 405.543 1.572 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC)C1 1539902595 KYVLIWARSZAQPV-HUUCEWRRSA-N 415.560 1.342 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(N)c1 1540582882 ZYOXRRNWOXWJPL-UHFFFAOYSA-N 412.515 1.892 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(c2cnn(C)c2)CC1 1540867632 BVDFGWZEQZPMLU-UHFFFAOYSA-N 406.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1540871848 VLQWCARWJTUONS-KRWDZBQOSA-N 404.559 1.327 30 10 HDEE Cc1c(Cl)cccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1542124174 GCPXQKCUZFXGGR-ZBFHGGJFSA-N 400.870 1.968 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1543462984 PLEZKBWPHMKWLK-OAHLLOKOSA-N 414.911 1.519 30 10 HDEE Cc1ccc(N2CC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1543843706 HIXANOFXNUUIBK-GOSISDBHSA-N 415.446 1.967 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1554532090 YEEFIZREQJFEBH-ZWKOTPCHSA-N 411.462 1.622 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(CNS(=O)(=O)CC)cc1)C(=O)OCC 1557934837 PMMSKHBTKNJSKQ-OAHLLOKOSA-N 402.900 1.930 30 10 HDEE CCCCOc1cccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1560169057 XZHGCHUJSMEABG-PXNSSMCTSA-N 405.520 1.352 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1 1561939657 WCBGGTNEGPYGGX-UHFFFAOYSA-N 400.522 1.318 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3nnnn3CC2)cc1 1562197039 CDSZDLUURARAJD-AWEZNQCLSA-N 405.484 1.006 30 10 HDEE COc1cc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)ccc1C#N 1564714505 WNZXSXQZYWTCPE-IBGZPJMESA-N 401.511 1.163 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nscc1I 1565630133 SLFJLWUDPBLFAK-ZRDIBKRKSA-N 418.216 1.004 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1566299117 BANGXJLDRUSAIY-UHFFFAOYSA-N 401.916 1.299 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 1570831291 LOLLRLLYZPDHFL-GOSISDBHSA-N 406.442 1.754 30 10 HDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1585476323 GEVAPDMXOVSHSQ-UHFFFAOYSA-N 415.490 1.468 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccccc3OC)C2)c1 1587333638 HRQSUXPEZNJKBP-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N3CCN(CCC#N)CC3)cc21 1587545986 JOMMBYYZFAQWJE-HNNXBMFYSA-N 402.499 1.914 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1587773133 BMWSDAIEANLWFY-UHFFFAOYSA-N 421.505 1.588 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3CCN(C(=O)CC#N)CC3)cc21 1588262801 PWQCHQMPONUCCZ-CQSZACIVSA-N 416.482 1.441 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1588458615 HYAMCFUHPOBISA-GASCZTMLSA-N 414.514 1.685 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC(C)CC2)CC1 1588732810 GNHZELYULKSRQQ-UHFFFAOYSA-N 413.570 1.001 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1588876870 LUQMBIANRYWUSI-GOSISDBHSA-N 409.494 1.287 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)Nc2ccc(F)cc2)CC1 1588946363 DABVPRFLGADVAI-UHFFFAOYSA-N 412.469 1.584 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1589580353 NTRGUXSAIXAIRK-FMKPAKJESA-N 406.512 1.639 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc(Br)cc2)C(C)C)C1 1589646932 SFPQDCKESPRBEF-AWEZNQCLSA-N 417.300 1.936 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595476206 JAVFZKUUGMTHIQ-OAHLLOKOSA-N 412.542 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1CCOC(C)(C)C1 1595500681 BHAZKCTXQVGRJU-UHFFFAOYSA-N 416.526 1.696 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccc(C#N)cc1 1595569953 RZXYXYNLMDYQOM-UHFFFAOYSA-N 418.505 1.950 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS2)C1 1595673955 LTECPUKIGAIBKJ-RBSFLKMASA-N 415.585 1.565 30 10 HDEE CC1(C(=O)N2CC3(C[C@@H](O)CNC3=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1595699434 NMCGKYXIDGGLQX-MRXNPFEDSA-N 416.909 1.528 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)C1 1595791333 ZWBSTTCHVQQNOB-HXOBKFHXSA-N 408.502 1.589 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CN(C(=O)OC(C)(C)C)C1 1597057919 KSZUBQDQWFQSEH-KRWDZBQOSA-N 420.554 1.565 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(-c2cccnc2)no1 1616166216 RXONLTYLFNPYCR-WBVHZDCISA-N 410.459 1.727 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1c1nc(-c2ccncc2)no1 1616166269 FRHFHFAYPUXYHT-WBVHZDCISA-N 410.459 1.727 30 10 HDEE Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1616347992 UNUVVJHLUHOXMA-PTGFTAGUSA-N 412.368 1.976 30 10 HDEE COC(=O)N1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1618890318 WDXQTZMEBIOHLP-IAGOWNOFSA-N 418.498 1.379 30 10 HDEE COCCOCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1620067011 BFYFJKHDCJRWGV-UHFFFAOYSA-N 404.515 1.697 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCCO 1620101900 DEOGDQDGGVIJID-ABSDTBQOSA-N 407.515 1.531 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@](C#N)(c2ccccn2)C1 1620484336 TZOPZUJDLZCZFF-MGPUTAFESA-N 413.503 1.613 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)O2)C1 1620635228 GXDYQZVUXMRYOH-RLFYNMQTSA-N 411.524 1.025 30 10 HDEE N#Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c1Br 1623931608 MEUQKJBMENDVDZ-UHFFFAOYSA-N 400.279 1.960 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1626983380 RPKYIANJTLHWTL-SFHVURJKSA-N 422.441 1.628 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1630018059 LXNYCNKKVJYETA-QVKFZJNVSA-N 414.462 1.986 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(Cl)cccc2Cl)CC1 1630337157 YMUMGNFLVKNXOZ-UHFFFAOYSA-N 405.307 1.288 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)Nc3cccnc3)C2)C1 1631887074 WLPKREOXNGNULX-DBWCEAHUSA-N 413.478 1.923 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccn2)CC1 1632328743 SZBFBKGACJALTR-UHFFFAOYSA-N 408.481 1.807 30 10 HDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1636193254 IGVSORVQFSHLKS-HOTGVXAUSA-N 419.526 1.745 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC2(C#N)CCOCC2)C1=O 1637331818 GOHIBTSBFCVEEQ-SFHVURJKSA-N 422.844 1.683 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)CO1 1638799915 WVBQLYSUAPQBTJ-INIZCTEOSA-N 401.467 1.941 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1c(Cl)cccc1[N+](=O)[O-] 1640924284 KHZUGDIEUPWNJO-UHFFFAOYSA-N 409.826 1.782 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCO1 1641614975 UDCOVBHWXOCTMP-HXUWFJFHSA-N 408.458 1.907 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)c(=O)nc1O 1644220048 WIDQXALUGMTOOO-BPLDGKMQSA-N 401.220 1.038 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NCc2ccccc2)CC1 1644284994 FJAYAKCHUFFVTB-UHFFFAOYSA-N 412.515 1.524 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCO1 1654266730 ARLIVBZGOJEKSO-CABCVRRESA-N 405.524 1.649 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1654894672 GGLMNGVIQFJXCP-CRAIPNDOSA-N 403.552 1.351 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCC3)c(F)c2)CC1 1675165193 OXBFEVVCLUYFOL-UHFFFAOYSA-N 410.471 1.374 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1681192946 BUIBYBXUFYWCNH-LJQANCHMSA-N 413.453 1.804 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1682170691 RGSHOIFEUQQDKP-OAHLLOKOSA-N 401.916 1.654 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cc1 1682564845 VHHSACNQJLJIQA-IBGZPJMESA-N 423.535 1.281 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1684175888 PLMQOGMWSRHOBD-UHFFFAOYSA-N 413.400 1.338 30 10 HDEE C=CC[C@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684246889 INCTXZABYMGYPF-HUUCEWRRSA-N 411.499 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNc1ccccn1 1689827912 JSXJBTWLTJORJT-GJZGRUSLSA-N 405.528 1.243 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1689918243 WAPDDGILJCUBIF-HDICACEKSA-N 418.519 1.612 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1690019334 GFYAULGTHLBYEP-IPMKNSEASA-N 418.563 1.704 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1690047183 MBHJAKZQMOUBEC-LJQANCHMSA-N 417.579 1.519 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1690059351 OGEVKCNCJHYVHV-HUUCEWRRSA-N 424.596 1.712 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@]1(N2CCOCC2)CCSC1 1690100750 ABAJUYKQCCXSGQ-FQEVSTJZSA-N 405.568 1.449 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690676408 ZDKZRDZBLBYIAU-QFIPXVFZSA-N 424.505 1.184 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CC)C1 1690696798 JDIROUAYQNRZBX-XOBRGWDASA-N 403.483 1.948 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1696030479 FZHSKUAQGDVQOE-LAUBAEHRSA-N 420.558 1.515 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1696866831 JTXWHOSXHBOVRW-HNNXBMFYSA-N 410.482 1.402 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1697001433 WEZPZUSJZJDMLY-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1697698485 MOIGZWWSTJDGFQ-OWCLPIDISA-N 418.885 1.774 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@H]2CC(F)(F)CO2)cc1 1698489496 VNVCZTNTUYCANL-MRXNPFEDSA-N 405.405 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1705501076 WESFXZSGMLWZSH-SFHVURJKSA-N 412.586 1.624 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1705560017 HJOXVZCIVAFATJ-KDCSIKNMSA-N 400.570 1.187 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705904799 YZFODCNWFDWCFK-UHFFFAOYSA-N 424.549 1.670 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705932678 XVXCMLKXFFJGKD-HZPDHXFCSA-N 421.571 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(=C)CC2)nnc1[C@@]1(OCC)CCOC1 1705939127 SILTUOFUXPINND-LJQANCHMSA-N 410.540 1.687 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1706020257 ONWAFQBDGMUFDC-DENIHFKCSA-N 424.505 1.727 30 10 HDEE CO[C@@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1711622135 AVMCVOCIWCUSOP-KBXCAEBGSA-N 404.858 1.528 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1712323538 QUMMMGANBLKQNX-FQEVSTJZSA-N 416.482 1.533 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1Cc1ccc(C(N)=O)nc1 1712453215 FZTXYQNDJZOLAM-UHFFFAOYSA-N 406.450 1.249 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1712611667 JTYQJORLNZYAAK-GOSISDBHSA-N 413.478 1.869 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(N)=O)c1 1712633234 OPAQZZLVEZMCOF-OALUTQOASA-N 424.505 1.889 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722334641 HMYFFXUXXJHOTJ-GOSISDBHSA-N 416.551 1.443 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1722340764 HTHHLPHXLBDIDE-GCJKJVERSA-N 415.538 1.935 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC(F)(F)F)CC1 1722353858 UYLGUWSOTDCTCC-HNNXBMFYSA-N 412.460 1.963 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](F)COC)CC1 1722449654 WYMBPCAFVVYFEO-KRWDZBQOSA-N 414.485 1.214 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722452737 VXCQECITIKSAFO-OAHLLOKOSA-N 413.613 1.924 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1722459875 SRODJZAXEXESPE-QZTJIDSGSA-N 417.579 1.891 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1722626752 IIMQUNMJWLHSBX-NRFANRHFSA-N 416.526 1.728 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1722689654 VUNWTHMXHMFIQU-HNNXBMFYSA-N 419.489 1.416 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1722999169 KJCZFFCFQVLRNO-CABCVRRESA-N 406.487 1.426 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1724493242 NTAZIPUHMCWJKR-MRXNPFEDSA-N 412.475 1.785 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1728260618 WLLAVPVUNZBUGE-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1729690235 MTKGLCTVEWGDQR-LJQANCHMSA-N 420.473 1.527 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2nsnc2c1)[C@@H]1CCS(=O)(=O)C1 1740617613 UKRKZSBRCGTGSI-CQSZACIVSA-N 402.505 1.266 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCS(=O)(=O)NC 1740675993 MNMICIXXXARVTL-UHFFFAOYSA-N 407.515 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCN(CC)C2)CC1 1740692515 XDMQERGSBWTHSK-HXUWFJFHSA-N 403.534 1.914 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1740955935 ISALQSQCTPRUDS-TZMCWYRMSA-N 410.400 1.798 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(NC(C)C)CC1 1740989954 CZCSFBZXLYRGHE-UHFFFAOYSA-N 419.555 1.303 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741132699 LKBCQKPLKHFLMK-MCYOWCNASA-N 413.482 1.294 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1741608848 DGSMLMIPRYSZFA-APWZRJJASA-N 412.494 1.860 30 10 HDEE C[C@H]1CCCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1743048756 NSLZEBJNLZNHEJ-ZJYNUGOYSA-N 422.493 1.888 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1 1747417711 WZKQXMREWXXRFC-UHFFFAOYSA-N 408.553 1.809 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1748731054 ZPHMLYJCIHZZMX-HOTGVXAUSA-N 407.478 1.586 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](COC)O[C@H](C)C1 1748747325 GJTZTIRFTKUIIQ-CABCVRRESA-N 401.467 1.659 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1 1748825582 ACGZYNMCRCXZMV-QGZVFWFLSA-N 411.531 1.693 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NC(C)C 1748858622 QVHQDVBKZGNJFE-LJQANCHMSA-N 407.474 1.778 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C)n(C)c1=O 1748956821 KTQNYIODKZVXBV-UHFFFAOYSA-N 416.485 1.958 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748963158 ZJBJPYHTSHAJER-FJIDUMEYSA-N 406.552 1.702 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(Cn3cccn3)cc2)CC1 1748999972 IUKGFUNAKCITDB-UHFFFAOYSA-N 419.533 1.863 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749229267 IKVIKLXQKYKCAR-ZWKOTPCHSA-N 402.499 1.477 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1749246351 AHKWMSYXXMQHTO-UHFFFAOYSA-N 404.906 1.775 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 1749402009 HNBWKNORSDVJON-OAHLLOKOSA-N 405.528 1.457 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1752387409 FYJWJQIABVXHHK-QVKFZJNVSA-N 410.478 1.432 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CCC1 1760171034 FVINBSRZCMZPFP-LJAQVGFWSA-N 410.503 1.965 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)CN(C)C1=O 1760179836 ZVOALPABLMKTHF-LRAJWGHMSA-N 416.526 1.597 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1760198833 JUIPOBWUCCZLJY-UHFFFAOYSA-N 413.503 1.062 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760284893 UPDDSEIOVDFVDC-IBGZPJMESA-N 412.563 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C)C1 1760321895 LJORBLMZVKTFAC-HZMVEIRTSA-N 410.540 1.387 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760440495 LFNLJXQPXQWKSY-IRXDYDNUSA-N 402.543 1.537 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C)C1CC1 1760472011 RHMMLVCKHBSKNW-UHFFFAOYSA-N 419.507 1.720 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1760523294 SMFGXDGKSQIZBF-KRWDZBQOSA-N 421.505 1.454 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1760802660 CWGRCKKPDLLXQH-SFHVURJKSA-N 406.487 1.995 30 10 HDEE Cc1nccn1-c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)cn1 1762347487 BVAYZPMDCVHFPO-WMLDXEAASA-N 419.493 1.905 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1769224095 DPAYGHMZUDUEMJ-QRQCRPRQSA-N 424.505 1.319 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1772564388 SZVOXCOTULKREP-LLVKDONJSA-N 414.425 1.719 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1772567001 DJGUPRCPMZFGDS-OLZOCXBDSA-N 403.405 1.589 30 10 HDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC(CC#N)CC3)ccc2n(CC)c1=O 1849321684 PELWMPTYJQGCKT-UHFFFAOYSA-N 404.492 1.517 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccc(F)cc2)c(C#N)cc1C#N 1850585679 XXKLBUHPBMFBQP-AEFFLSMTSA-N 407.405 1.943 30 10 HDEE CCc1c(C(=O)NCC#CCN2CCOCC2)nnn1-c1cccc(C(F)(F)F)c1 1850692054 DEDIPWXISZSTIU-UHFFFAOYSA-N 421.423 1.914 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(CCOC(=O)[C@H]2C[C@@H]2C)CC1 1851792848 VDJYXFJHZKGDPV-YOEHRIQHSA-N 400.479 1.760 30 10 HDEE C=CCN[C@H](C)[C@H]1CCN(C(=O)Cn2c(=O)c3oc4ccccc4c3n(C)c2=O)C1 1853539864 NRQOLDDXUCMUGS-CABCVRRESA-N 410.474 1.459 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cc(=O)n3ccccc3n2)C2CC2)CC1 1853593376 RBWLRMBSBKBXIM-UHFFFAOYSA-N 402.476 1.963 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCc3c(C)nc4ccnn4c3C)C(=O)C2)C1 1853679693 PUVFWDMCHWTFSV-GOSISDBHSA-N 410.522 1.210 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2)CC1 1853688624 YXPBQURVRPQGIA-QZTJIDSGSA-N 409.490 1.578 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853691260 MUUKPPZLYSHDAA-OALUTQOASA-N 420.529 1.972 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccc3)C(=O)C2)cc1 1854031317 AQBPTTGMUPOBQA-OALUTQOASA-N 409.467 1.721 30 10 HDEE CN1C[C@H](CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C23CCCC3)CC1=O 1854199092 GCTMNNYTMFTKCI-LJQANCHMSA-N 408.502 1.563 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3nccc(N4CCOCC4)n3)C2)CC1 1855127486 XKSAJXLSRUVXKF-SFHVURJKSA-N 413.522 1.734 30 10 HDEE CN(Cc1ncnn1C)[C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855542646 BWOMQPFROUVLBJ-INIZCTEOSA-N 400.870 1.798 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CCCO3)C2=O)CC1 1855592139 BNFKINKSUOFWHZ-RTBURBONSA-N 412.490 1.741 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2COCCO2)CC1 1855594556 YYYPKFHJGZAXAG-GOSISDBHSA-N 420.487 1.249 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H]1C 1856258134 BCEQUWAWWYXWSP-KBPBESRZSA-N 411.911 1.865 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@H]1C 1856258136 BCEQUWAWWYXWSP-UONOGXRCSA-N 411.911 1.865 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@H]1CCN(C)C1=O 1857062339 IHYDZQHLSYDULX-HKUYNNGSSA-N 417.550 1.677 30 10 HDEE Cn1nnc(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)c1C(F)F 1857290109 KJEDKJNLUACKNS-QWHCGFSZSA-N 406.437 1.757 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3=O)n2)cc1 1857375047 QVSXIPHKHOUAIC-UHFFFAOYSA-N 401.430 1.327 30 10 HDEE CCc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858335506 ODRLRHSQMOJBBD-QGZVFWFLSA-N 419.528 1.862 30 10 HDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870563595 IGTQHXIXDDZZTF-UHFFFAOYSA-N 422.529 1.314 30 10 HDEE C#CCOc1cn(CCOCCO)c(CNc2cccc([N+](=O)[O-])c2C)cc1=O 1871007579 IXXXVDPSQXGOHB-UHFFFAOYSA-N 401.419 1.698 30 10 HDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873593548 DHFOPLKJPPBOOO-QGZVFWFLSA-N 412.538 1.916 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882717364 RSMLCOYNNQTLOH-WPRPVWTQSA-N 404.514 1.252 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1891705589 AELVZQZLKCGZHJ-CYBMUJFWSA-N 402.925 1.805 30 10 HDEE C#C[C@@H](COc1ncnc(O)c1I)NC(=O)OC(C)(C)C 1896153834 ZUZWXBSFOCPZOR-QMMMGPOBSA-N 405.192 1.692 30 10 HDEE C=C(CNC(=O)[C@H](C)N1CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991967424 ABIIFZOWLZPMAM-AWEZNQCLSA-N 409.336 1.888 30 10 HDEE Cn1c(Br)nnc1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 2060557201 INDINOVIFWCYDU-SNVBAGLBSA-N 415.292 1.781 30 10 HDEE C[C@H]1[C@H](C(F)(F)F)N(S(=O)(=O)N2CC(C#N)C2)CCN1C(=O)OC(C)(C)C 2174779096 FLPYRKXNUCHLDS-CMPLNLGQSA-N 412.434 1.559 30 10 HDEE C#CCN(C(=O)[C@@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180119139 FPBRLYHNOBWOSV-HUUCEWRRSA-N 418.581 1.670 30 10 HDEE COCCNS(=O)(=O)N(C)[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186587550 WMNQRQKTMPMDAB-GFCCVEGCSA-N 404.363 1.521 30 10 HDEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1nscc1C#CCO 2186655744 STQHUPIAJLMVLB-AWEZNQCLSA-N 407.517 1.283 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(C)CC1 2187395598 XCQBBCYWLUYUHR-OAHLLOKOSA-N 402.561 1.691 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(F)(F)F 2195876874 BVMBRGHVXFZLRE-JKSUJKDBSA-N 404.458 1.519 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(C#CCO)c(F)c1F 2231310821 DPRXGLHFCGBDAN-UHFFFAOYSA-N 420.393 1.347 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](O)C1(C)C 2248433845 RJOBGSMMBNTXRE-LHSJRXKWSA-N 422.331 1.792 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCc3cnn(Cc4ccccc4)c3)[nH]n2)OC1(C)C 2255627588 VRSHNYZLWSOVRH-UHFFFAOYSA-N 421.310 1.926 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H](N)C3)cc2Cl)OC1(C)C 2267356853 PBILBTQEONWGBM-SNVBAGLBSA-N 406.766 1.813 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267375641 JYUXMTBMLVBXTP-PWSUYJOCSA-N 407.388 1.438 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC#CC(=O)O)cc2Cl)OC1(C)C 2269028582 DQCUHDCAUFUMDP-UHFFFAOYSA-N 405.690 1.067 30 10 HDEE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281963280 JXXUBPIISPTVNY-GXSJLCMTSA-N 419.761 1.864 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)S(C)(=O)=O 2282010066 TYODDENDUKMKPQ-MNOVXSKESA-N 402.347 1.336 30 10 HDEE CCC[C@]1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCNC1 2282334086 XBVZDEPIVXXQIO-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE C[C@@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349088 ULTQKYAQXKZGJN-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CN(C[C@H]1CCN1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491195 KCYPVDSALMYQOC-CYBMUJFWSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCN)CC2CC2)OC1(C)C 2282500962 QIQCSLWHZTUUIE-UHFFFAOYSA-N 400.375 1.548 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CCCSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507132 CCPBCJWQJITOKU-LBPRGKRZSA-N 401.363 1.202 30 10 HDEE Cc1csc(C(=O)NCCCNS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282567401 NQZKYUQMILUASC-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282631462 WRGYCVXYUPCURM-GFCCVEGCSA-N 401.315 1.139 30 10 HDEE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282651579 CDBHRTBQSLYLLP-MFKMUULPSA-N 401.721 1.657 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@]2(C)CO)OC1(C)C 2282828587 QWXVSYLCXDSPNH-QGZVFWFLSA-N 401.721 1.785 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282839360 CIZLVRTXGMZJLV-SSINHNECSA-N 422.403 1.019 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cccnn3)cc2Cl)OC1(C)C 2282843183 JLDGQKRBSIKHEH-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCCC[C@H]3CO)s2)OC1(C)C 2282848922 UKWGMFKBQQLMTE-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CNC[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869869 JLNWSYILSBYSMV-ZDUSSCGKSA-N 400.375 1.418 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(F)CNC2)c1B1OC(C)(C)C(C)(C)O1 2282872620 ZIUTYFVPFOKMKT-UHFFFAOYSA-N 404.338 1.254 30 10 HDEE C=C(CS(=O)(=O)N=[S@@]1(=O)CC[C@H](CN)C1(C)C)B1OC(C)(C)C(C)(C)O1 2282872907 DDAGTIDGHWOXSF-YMXBGEKHSA-N 406.379 1.729 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399311 JABNRWQEFZLFCF-NSHDSACASA-N 401.315 1.663 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C(=O)O)CC1 2290067346 GUYJSOUVHXSNKK-UHFFFAOYSA-N 400.497 1.516 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3COC(=O)C3)c(Cl)c2)OC1(C)C 2296239581 UMMHMMWMLCYLBM-LLVKDONJSA-N 401.677 1.233 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(F)(F)C[C@@H]2CN)OC1(C)C 2296486734 LWIHJGOYZUJRMM-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@@H](C)O)C(=O)[C@@]12C 2297590995 MKWRJUDSHLVUAW-ZEDNOMKYSA-N 401.415 1.539 30 10 HDEE Cn1nc(Br)c(=NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[nH]1 2320067664 YLQOAFNRBNWWQF-SNVBAGLBSA-N 415.292 1.915 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2329056776 UYIRBWWVCXETEZ-ZDUSSCGKSA-N 405.480 1.380 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccn1C 2330749883 XPJWYXUFMCLONO-UHFFFAOYSA-N 415.479 1.136 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2365198599 HNULEFMVPKAVRY-IFXJQAMLSA-N 404.573 1.845 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2365203374 SIBAGJQYLXUPDE-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367809226 LFGNWHBVNFRFBO-KBXCAEBGSA-N 402.557 1.599 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2375784408 JODLCFWGJUDFJG-HBUWYVDXSA-N 402.513 1.372 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 20292989 AMDDKCJSXYCKCG-CNHKJKLMSA-N 418.508 1.942 30 10 HDEE CCc1nnc(CSc2nnc(N/N=C/c3ccc(C(=O)OC)cc3)n2N)o1 20914247 AUNRJRMMSPIGPE-QGMBQPNBSA-N 402.440 1.462 30 10 HDEE C[C@H]1CC[C@H](C(N)=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 56017287 WVJUAPIIMSMXJZ-YOEHRIQHSA-N 418.519 1.071 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)NCC#CCOc2cccc3cccnc23)CC1 90743048 BSUXGPBYSHULCM-UHFFFAOYSA-N 401.488 1.405 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CC1 105288386 FXODPVPBYFAZMD-UHFFFAOYSA-N 411.487 1.356 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 111192390 XSMWHXAQYHZNFI-GOSISDBHSA-N 410.495 1.978 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H]3CCCC[C@H]3C2)CC1 426830567 ZBKFSCLCDICYHD-OALUTQOASA-N 416.547 1.513 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]2C 440156264 CYWUKGGXRFDFSP-KGLIPLIRSA-N 416.507 1.543 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4ccc(C#N)cn4)CC3)nn2)cc1 445983212 XZIVYMSBLLRJLK-UHFFFAOYSA-N 418.461 1.574 30 10 HDEE Cc1nsc(N2CCN(C(=O)Cn3c(O)nc4ccccc4c3=O)CC2)c1C#N 461198851 RVMCFXVJTLMVFD-UHFFFAOYSA-N 410.459 1.088 30 10 HDEE CC1=CCN(CCNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CC1 471056547 PSKFPFFQZORFMR-UHFFFAOYSA-N 423.517 1.976 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2cnc3ccccc3n2)cnc2c1c(=O)n(C)c(=O)n2C 483200804 NTYRETKBJJTJJN-CYBMUJFWSA-N 414.425 1.628 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nccn3CC(F)(F)F)C2=O)cc1 486513791 CQZMEXDTDITDTB-HNNXBMFYSA-N 420.395 1.917 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N[C@@H](CCCC#N)c2ccccc2)n(C)c1=O 487423165 ZEZWFZWWMAHWKI-INIZCTEOSA-N 408.462 1.375 30 10 HDEE CCC[C@@H]1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 502530715 OETZANREVXXPLT-SJLPKXTDSA-N 405.520 1.986 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 508890436 XJIJOMPYCAAPDJ-OAHLLOKOSA-N 404.492 1.924 30 10 HDEE C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 532739005 MZJWMOOQNVTCFJ-SJLPKXTDSA-N 407.474 1.420 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C2C[C@@H]3CC[C@H](C2)N3C)CC1 535231763 VLWNJYODOHSTMV-DFNIBXOVSA-N 411.550 1.978 30 10 HDEE CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)CC1 543114648 WXZPLVPIEPRSQJ-CQSZACIVSA-N 424.461 1.765 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)CC1 545356747 IEOOEMWSZPERNX-LJQANCHMSA-N 402.520 1.266 30 10 HDEE CC1=CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 547272674 NKIMUSXOLQOGPH-UHFFFAOYSA-N 417.535 1.226 30 10 HDEE CCCc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)c1 548151039 TZABMUNWJXTOCC-UHFFFAOYSA-N 409.511 1.220 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCOC2)CC1 549983169 OWCNPLJRENYTDA-SFHVURJKSA-N 410.522 1.406 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553905669 NTGRRJYROCLPJE-CVEARBPZSA-N 408.499 1.454 30 10 HDEE CN1C(=O)C[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 561631148 JIDKFCOWPOWMSM-XJKSGUPXSA-N 405.821 1.213 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3cscc3C#N)CC2)cc1 566324586 TUOSIPHAXGRTSD-UHFFFAOYSA-N 418.544 1.665 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCSc2ccc3c(c2)OCCO3)CC1 606347185 SDADJDDYKHUKEE-UHFFFAOYSA-N 405.520 1.386 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cn1 611608766 ONROCULTLMABDK-QGZVFWFLSA-N 406.489 1.548 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1ccc(C#CCN)cc1 703978308 NNDJNVGMUBIOAP-HNNXBMFYSA-N 411.483 1.273 30 10 HDEE C#CC[C@@H](O)CNS(=O)(=O)c1c(Br)cc(N)cc1Br 717887267 MXVURBJQTBIXSL-MRVPVSSYSA-N 412.103 1.456 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 729281728 NKALEZPRWXIBMK-UHFFFAOYSA-N 424.501 1.567 30 10 HDEE CC1CCC(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)CC1 731409901 DKVQXOIMXGSSCB-ZCDVPAHGSA-N 403.504 1.931 30 10 HDEE C[C@H]1CN(Cc2csc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)C[C@@H](C)O1 732674783 LTHUOQGBBXZMOB-JKIFEVAISA-N 404.540 1.956 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 733771018 XSXYVZGIZKRWIK-UHFFFAOYSA-N 401.444 1.469 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CSCc1ccc(C#N)cc1 735774682 ZWLCEEDHMVEZFV-HNNXBMFYSA-N 411.505 1.180 30 10 HDEE Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737304797 BTJRHJSWMIUMSN-VXPUYCOJSA-N 419.441 1.638 30 10 HDEE CCOC(=O)c1ccn(-c2ccccc2NC(=O)CCN/C(O)=C2\N=CC=CC2=O)n1 742252702 LVQJAUXENJCXOT-FMQUCBEESA-N 423.429 1.904 30 10 HDEE Cn1ccnc1C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742859516 ZVJSDQVGYXKIGS-QGZVFWFLSA-N 423.498 1.559 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCOC[C@H]1CCO 769049113 VQJXEPHINVVFST-CYBMUJFWSA-N 413.268 1.708 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1C1CC1 772911089 QAHAUYBXRIRRNY-UHFFFAOYSA-N 414.556 1.705 30 10 HDEE N#CC1(c2ccc(COC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2)CC1 777144691 YXNDIYNQVRZQJP-MRXNPFEDSA-N 415.471 1.450 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)c1cccc(F)c1C#N)C2=O 781601207 BSFYXCDPHAIGEH-UHFFFAOYSA-N 422.438 1.003 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)NCCNc3ncccc3C#N)CC(=O)N2C(C)(C)C)cn1 795032515 ROWWVABAWPRSSD-AEFFLSMTSA-N 409.494 1.603 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)OCC[C@H]2C1 805051145 ISSIPIVJYMJYKN-JTQLQIEISA-N 400.254 1.536 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)NC1CCN(C2CC2)CC1 914995865 SDQIWKAMDRUNQA-UHFFFAOYSA-N 424.505 1.437 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)s1 917769003 XWJMAZLZTUVIPC-CYBMUJFWSA-N 417.556 1.972 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 918684728 UEDMGKCYXWNEJW-WEVVVXLNSA-N 411.487 1.687 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 1116540427 QGIDBDWEEFABNU-FQEVSTJZSA-N 416.522 1.834 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1116726723 UOCHBEIEPNROCK-AWEZNQCLSA-N 412.471 1.903 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[S@@](=O)c1ccc(Cl)cc1 1150868793 BJDCCHIGMBUHIJ-JGTBNHKDSA-N 403.895 1.847 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1156248052 XBHDONOLXHQHJJ-MRXNPFEDSA-N 413.503 1.887 30 10 HDEE N#C[C@H](CO)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1157964212 UHLXFMGCSGDIIC-QGZVFWFLSA-N 418.497 1.681 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1161286385 XQJSRJKWHCPDDV-ARFHVFGLSA-N 416.540 1.651 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1161618118 DHAPWVOHWHTBSU-IBGZPJMESA-N 420.473 1.441 30 10 HDEE CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cn1c(=O)c(C#N)c(C)n(C2CC2)c1=O 1166660371 CWSVTAJTZGJMTR-UHFFFAOYSA-N 424.457 1.345 30 10 HDEE NC(=O)c1cc(OC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)ccn1 1168668258 YWWSHMCFLPGPCU-UHFFFAOYSA-N 418.453 1.323 30 10 HDEE C#CCN(C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2)[C@H]1CCS(=O)(=O)C1 1206601127 NQUMFQBAIRRBIJ-NEPJUHHUSA-N 411.505 1.075 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)C1 1248675103 CJEHDDMWFPZJCS-HOTGVXAUSA-N 408.424 1.903 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1252076264 CFZWFMWTRIBSFC-XHSDSOJGSA-N 423.510 1.629 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@H](C)C4)O3)CC2)c1C#N 1255569039 PEEXGGJTLKRYKM-WTANOLMUSA-N 405.524 1.881 30 10 HDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 1261204886 IIXBHRPZTXOZRJ-ICSRJNTNSA-N 416.478 1.537 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1270654853 CEGLLPRVSHBWLT-WMLDXEAASA-N 415.533 1.216 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1286354017 FKHAMZXGOIPDPR-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1286377324 VBQHRUHTUQDQSD-LJQANCHMSA-N 407.522 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CCNS(=O)(=O)c1ccc(C)s1 1286412866 NPPYZUOHTFXZBH-UHFFFAOYSA-N 417.560 1.652 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1286416150 VYIBUWQNLWJDBY-UHFFFAOYSA-N 406.490 1.032 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1286462223 HMTAJCQOPKPMHJ-UHFFFAOYSA-N 416.507 1.062 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N2CCCCC2)CC1 1286476684 DPEWNMOAXKZUIS-UHFFFAOYSA-N 409.538 1.441 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccs1 1286517885 WSWQZBMFIDCUCR-SUMWQHHRSA-N 408.553 1.580 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286536653 REWSSOCCMXXJRQ-WBMJQRKESA-N 411.348 1.484 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1286721795 HOQVXNMGRRWWLC-UHFFFAOYSA-N 405.528 1.385 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC(C)(C)C 1286773165 JEEYZHLMDRTWKF-OAHLLOKOSA-N 400.545 1.634 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccsc2)CC1 1286776764 YGRPIRXHRACAFE-UHFFFAOYSA-N 400.508 1.610 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286827800 BFJRNCDPSZPCEN-CQSZACIVSA-N 400.512 1.210 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnn(C)c1C 1292055001 DILOCHOGPCZQJH-IBGZPJMESA-N 402.478 1.729 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1297756957 GZQNAACFLBZXID-QGZVFWFLSA-N 407.475 1.111 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)C1 1298877019 AAUACNHDRJVFDZ-JOCHJYFZSA-N 418.505 1.352 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300481688 AZWCBQLZHMLYQO-KRWDZBQOSA-N 421.567 1.477 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[S@@](=O)C(C)(C)C 1300553803 SZWNGELYWFQPAC-VLMBKWFHSA-N 406.552 1.622 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCNC(=O)C1CCC1 1300779241 RXGAXFPYNYZAPD-OAQYLSRUSA-N 400.527 1.715 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1300991655 PFMILXMQOGUHBJ-CQSZACIVSA-N 418.498 1.417 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301468765 PDZHYOFIQFPZCA-GOSISDBHSA-N 402.480 1.487 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H](C(=O)OC)C1 1301587814 YDGROUFIPXQIHA-HNNXBMFYSA-N 424.548 1.531 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCSCCCO)CCO1 1303003022 AZELNKFKEPZSLV-MRXNPFEDSA-N 405.499 1.852 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 1303920886 VVRIFYXCWSXXLJ-OPGVCCBYSA-N 420.267 1.819 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1304902495 CMCJROWZXGAJIY-HNNXBMFYSA-N 421.505 1.529 30 10 HDEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)o1 1306009080 CQCDAKVSYMBTSA-UGSOOPFHSA-N 422.486 1.529 30 10 HDEE C#C[C@@H]1CCCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1307877152 FHDQWZPPSAIRJR-LLVKDONJSA-N 403.460 1.332 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 1307998874 AAKGTDABHWACHR-QUCCMNQESA-N 403.483 1.084 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1312789514 QWSHLHYOSUSZGS-KRWDZBQOSA-N 420.554 1.306 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)nn1 1312898120 IBHOBNPPTWKEHH-UHFFFAOYSA-N 400.458 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CCO[C@@H](C#N)C1)OC2=O 1313317323 KMOVHFWRINKUIT-CABCVRRESA-N 422.482 1.253 30 10 HDEE CCS(=O)(=O)NCCn1c(C)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1314550475 HGJACFSDINWHKK-UHFFFAOYSA-N 400.508 1.691 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1315079462 QQARRHLLNNOZHM-VGOFRKELSA-N 422.489 1.684 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1358920340 XJODIIPCNXODDT-CQSZACIVSA-N 413.544 1.137 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCN1CC 1358943686 REQDOAKXDZHZPZ-IBGZPJMESA-N 405.510 1.865 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358962889 YQWKEHHMDVFVNW-ZACQAIPSSA-N 408.524 1.325 30 10 HDEE C#CCN(c1nnc(CC)n1CCC(=O)Nc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1358963987 QYCLGEKORLRFOW-QGZVFWFLSA-N 415.519 1.496 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@H]1C 1358974410 CYZOANZMSOGVHX-GOSISDBHSA-N 421.501 1.510 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1cn(C2COC2)nn1 1359022207 QZQUKEJDGGYVIG-UHFFFAOYSA-N 411.441 1.381 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2nc(C)no2)CC1 1359038238 OKRFNBKHNGNUEE-UHFFFAOYSA-N 423.525 1.219 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NCC2CC2)CC1 1359041227 QJHWWDLSXCUDGJ-HNNXBMFYSA-N 400.527 1.284 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2nccnc2C)CC1 1359047431 GTKBMBRYBGODKW-LJQANCHMSA-N 423.521 1.437 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCC(C(=O)NCCCOC)CC1 1359078371 ZURURPNVROHRDM-UHFFFAOYSA-N 400.321 1.864 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)=O)CC1 1359089753 OMCSXXQBTBIDPL-QZTJIDSGSA-N 418.542 1.456 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359162790 DZFGZBRRXIXETG-KRWDZBQOSA-N 405.462 1.961 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359301379 XXEMAKLBJWWCTM-DLBZAZTESA-N 418.542 1.217 30 10 HDEE Cc1cc(C)cc(C(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1458002760 NMGXMORLAKAIPD-UHFFFAOYSA-N 409.442 1.937 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCCCn1cc(C(N)=O)nn1 1460842653 UGFGBXCYLBWQBU-UHFFFAOYSA-N 405.256 1.150 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1461385152 GINYVYGYEDUAGY-OAHLLOKOSA-N 414.458 1.614 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@](O)(CN(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1467711676 TVLZXGSIDQRTDL-QFIPXVFZSA-N 402.344 1.823 30 10 HDEE C#CCOc1ccc(CNC(=O)c2nc(C)n(-c3n[nH]c(C(F)(F)F)n3)n2)cc1 1468165188 KZMXHKUCVAAUSV-UHFFFAOYSA-N 405.340 1.655 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CN3CCCC3=O)C2)s1 1470278750 AXBMIZMDQRRFKD-AWEZNQCLSA-N 411.549 1.226 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N[C@H](CO)[C@H](O)c2cccnc2)c1 1471068936 OGLOSEAVRJFLSW-WOJBJXKFSA-N 403.442 1.785 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)c1C#N 1471297280 QBEKONJRTVFXQI-HIFRSBDPSA-N 414.432 1.932 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1471688899 YYOJJKHPNSTOIK-BPLDGKMQSA-N 407.492 1.462 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCC[C@@H]3CO)nnc12 1472562318 AYWJBSROJXCTTQ-UKRRQHHQSA-N 413.503 1.600 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1475861318 QBYDICYGFWPJHP-GOSISDBHSA-N 416.522 1.910 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C1CCN(C)CC1 1477579356 FTWAJVLTBYRJQA-UHFFFAOYSA-N 420.579 1.955 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 1478230493 LDESYCXPPFLRST-HXUWFJFHSA-N 418.563 1.509 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1499146512 ZHMPBNDZLARQNZ-HNNXBMFYSA-N 403.437 1.858 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1504522103 DFWRGBCIKJHWNC-ROUUACIJSA-N 415.519 1.437 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@H]1COCCO1 1504886853 JTTHJBVWWPUPNU-MRXNPFEDSA-N 406.512 1.416 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CCO1 1505321859 FSCNJRZWYNTJFM-IAGOWNOFSA-N 423.539 1.116 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cscn2)CC1 1507571651 IVRURXLZBAIOJT-UHFFFAOYSA-N 413.551 1.706 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CCC1 1507617799 BELGTOVSRKOMKN-UHFFFAOYSA-N 421.548 1.306 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1507634278 YGVCWBFYLYQAPI-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1507657173 RTJQXOXYZCRCBS-QGZVFWFLSA-N 422.514 1.024 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c[nH]nc3c2)CC1 1507717144 YUMGAOZISDPWAX-UHFFFAOYSA-N 420.521 1.291 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C2CC2)N(C)C)CC1 1507733111 OQMLUSFKLAWBDH-ZCNNSNEGSA-N 416.570 1.098 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@](C)(O)CCC)CC1 1507737116 ZNBCABPFXMREJK-QFIPXVFZSA-N 412.538 1.801 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCC(=O)NC 1507809185 UJRDJSAIFBKVBY-NEPXVJNWSA-N 421.542 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1ccco1 1508130989 XWJAKKWTGBCABX-HNNXBMFYSA-N 421.523 1.905 30 10 HDEE CC(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1508395420 OWLHRXGLGLUQCQ-XLIONFOSSA-N 414.441 1.759 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1508663674 KEVSARLBVOEXNG-HZPDHXFCSA-N 420.514 1.816 30 10 HDEE CCNC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1516013110 WNNCVYDIDHADFA-OAHLLOKOSA-N 413.482 1.537 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1517451415 HYXJADFKMSKZTB-AWEZNQCLSA-N 423.477 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1539014550 MCQZLHXTLFISMD-ULQDDVLXSA-N 416.551 1.721 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@@H]1OC 1539232809 PSBMARXYKMOHMJ-SJORKVTESA-N 408.462 1.050 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1CCC 1539414824 ZKSSLMDJYDLEAJ-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(=O)(=O)CC)CC1 1539434365 JKUNEXIUDAQJMW-UHFFFAOYSA-N 421.954 1.788 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CCN(CC)C2)CC1 1539459511 HTPHYOGPTUPKAK-OAQYLSRUSA-N 422.577 1.997 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539821341 YHFCAXGHXXKIDF-PBHICJAKSA-N 418.947 1.695 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1539912560 MZWLIZKVHDXXFE-UHFFFAOYSA-N 414.558 1.539 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 1542150806 GTGJKTLPQRMKMR-OPAMFIHVSA-N 413.474 1.606 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CCN2CCOCC2)c1 1542919694 VLRNBPDFSHPIGN-QGZVFWFLSA-N 405.499 1.461 30 10 HDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1=O 1555597053 GUHUEXQBDDMJDO-MAUKXSAKSA-N 410.478 1.605 30 10 HDEE Cc1cnn(-c2cc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c(N)cc2F)c1 1556216940 KFBGFKOAEDBOMY-UHFFFAOYSA-N 422.468 1.778 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 1557252803 WIIQGFFYVQHGAH-JSGCOSHPSA-N 405.398 1.453 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)cc1 1557316898 QBERGOBEOJFTME-QZTJIDSGSA-N 407.536 1.380 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1557933894 CRCPIGUCADKFER-CYBMUJFWSA-N 409.291 1.809 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC[C@@H]2CC[C@H](C3OCCO3)O2)C1 1558962988 SMARVBWIUJOYIC-CAOSSQGBSA-N 409.483 1.562 30 10 HDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)ccc21 1559026690 UKAZNGRNNZCIBW-INIZCTEOSA-N 418.457 1.146 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)C2)nc1 1559037316 RJXIAWHORZPCPE-VAMGGRTRSA-N 423.517 1.797 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@]3(CCSC3)C2)CC1 1559933860 HGJCQNURDMUWCU-CTNGQTDRSA-N 418.538 1.742 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)CCOCC1 1561937993 DYNDTXBDNURCOC-UHFFFAOYSA-N 414.549 1.367 30 10 HDEE C#C[C@@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccc(Br)cc1 1564999134 GYDRXSCNFRXEDC-CQSZACIVSA-N 400.298 1.458 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CCN(C(=O)CC#N)CC3)=NO2)C1 1566317885 MFIPTOPPLRWPSD-FQEVSTJZSA-N 419.482 1.117 30 10 HDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N[C@H]2CCCN(O)C2=O)c1O 1569676432 TVANPJUREFAVLI-KRWDZBQOSA-N 423.425 1.607 30 10 HDEE C#CC[C@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1570221278 JRNBBSINWCKFTA-AWEZNQCLSA-N 416.293 1.684 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)CC2=O)cc1 1570798159 VJUBKXBFXDCUIX-GHTZIAJQSA-N 411.502 1.985 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCSCC(=O)Nc1ccc(C(=O)OCC)cc1 1583612002 LHQZWGPMXVRSJU-QGZVFWFLSA-N 404.488 1.786 30 10 HDEE CN1C(=O)COc2ccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 1584786647 BVFOHLCQABHMDQ-KRWDZBQOSA-N 404.426 1.839 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1587856587 NNLAAMHWLHOLRG-MOPGFXCFSA-N 419.595 1.906 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CCC1 1588012183 ZLJMCKRWLPJEAE-MHZLTWQESA-N 405.549 1.640 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1588265553 CZKLYSGBCNEOJP-OLZOCXBDSA-N 401.483 1.783 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN(C)CCCOC)CC1 1588790898 GQCDQZSIKCYGRD-UHFFFAOYSA-N 410.566 1.977 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1595307642 HQPHOWMWOBEISK-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCOC1 1595811943 HZVUHFXSTIJQCI-KRWDZBQOSA-N 405.524 1.337 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CCO1 1596641379 FYZYEWZVABXTJY-HXUWFJFHSA-N 424.505 1.585 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)ccc1F 1596955424 DYELQEYCTIGBFG-UHFFFAOYSA-N 420.388 1.935 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 1611039184 CJFKMDLFARJISL-BFYDXBDKSA-N 401.467 1.086 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCOCC2)cs1 1612387147 HYZDEJTWWWKGSZ-CQSZACIVSA-N 417.539 1.621 30 10 HDEE CCOCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1617139133 OZAJIUXZMJPDHN-NCJSADBTSA-N 418.498 1.519 30 10 HDEE CN(C)[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccco1 1617632570 GXBSGCBGVAGTEE-QGZVFWFLSA-N 405.462 1.649 30 10 HDEE CN(c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1617741889 KWASIHXSJSRDCQ-DOXHGZAWSA-N 413.507 1.741 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnccn2)C1=O 1618458188 KZWATJUQXYXJDV-NRFANRHFSA-N 402.462 1.721 30 10 HDEE COCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1619766190 DJXFNGFHZZORDL-PMACEKPBSA-N 404.515 1.432 30 10 HDEE COCCOCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1620081497 FNKXLASCNKYMME-OALUTQOASA-N 411.478 1.424 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1624503914 OBCSOXSXHAFNCX-BTYIYWSLSA-N 414.462 1.986 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC 1624564939 HBTOUBKJRNFVST-INIZCTEOSA-N 403.435 1.224 30 10 HDEE C[C@H](CCc1ccc(Br)cc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1626438878 BZAOSXCNROIBDD-LLVKDONJSA-N 405.252 1.721 30 10 HDEE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1628301081 CHTDTEDXKWPGSH-TVPLGVNVSA-N 404.488 1.806 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1 1632885293 VSRVRZIEYZATOP-LBPRGKRZSA-N 414.365 1.255 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1C1CCCC1 1634509460 DHCXCOYBQARLQN-JKSUJKDBSA-N 404.536 1.700 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3Cc4cc(F)ccc4NC3=O)C2=O)cc1 1634587806 AFPUIGXDIHDCND-HKUYNNGSSA-N 406.417 1.725 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](C)(CC(C)C)C(=O)OCC)c1 1635524107 SGMRMBDXZGZFKH-HXUWFJFHSA-N 408.520 1.943 30 10 HDEE C#CCCOc1ccc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1636584033 RRITZJBOZCSVRJ-UHFFFAOYSA-N 415.515 1.945 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3C[C@H](N(C)C)CC[C@H]3C2)s1 1637381544 VRWZRJUFCXKEOV-ARFHVFGLSA-N 411.593 1.944 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)s2)CC1 1638335469 URLYDOZGQFUOTH-UHFFFAOYSA-N 407.521 1.677 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2ccn(C)n2)CC1 1638636413 PWKJBDPTTTVYJF-AWEZNQCLSA-N 401.492 1.365 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCn3nnc4ccccc4c3=O)C2)nc1 1638906150 LKTHJXPQWWVUIK-MRXNPFEDSA-N 403.446 1.551 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1643300878 WITZIYMINJXEOW-LJQANCHMSA-N 407.536 1.004 30 10 HDEE CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CCC[C@@H]1C#N 1643438827 PYDMPPOLCNUHFP-IEBWSBKVSA-N 405.520 1.791 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(C[C@H](O)CC3(C#N)CCOCC3)C2)ccn1 1643647967 NYXWSKDDUQIAMC-SJLPKXTDSA-N 402.495 1.356 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 1643896958 PRQMEUKQELHUOO-IAQYHMDHSA-N 405.398 1.405 30 10 HDEE CC(C)(C)n1nc(Br)c2c(=O)n(CC(=O)NC3(C#N)CCC3)cnc21 1652157316 UTUSSIRMZOMFLY-UHFFFAOYSA-N 407.272 1.673 30 10 HDEE Cc1cc(C#N)c(=O)n(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)c1 1652893237 ASYQLNGIQARTNX-IBGZPJMESA-N 411.483 1.989 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1654912154 KKGXMFRIUVDBCU-IAGOWNOFSA-N 403.552 1.257 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC3(CC2)C[C@H](O)CNC3=O)sc2c1CCC2 1655776549 SLWUHFZYJYOAPK-ZDUSSCGKSA-N 402.520 1.400 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1nnc2n1C[C@H](C(F)(F)F)CC2 1656945491 DIHCXRQGNSZQDS-VXGBXAGGSA-N 408.450 1.561 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1662444784 XEBRIWICPBAWGY-GFCCVEGCSA-N 402.266 1.649 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OC 1663616490 HTSZMHGRNYDILR-GFCCVEGCSA-N 404.872 1.494 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(C)sc3c(C)cccc23)CC1 1663955668 ZRFDTRSGNHQNSJ-UHFFFAOYSA-N 405.545 1.574 30 10 HDEE CC(C)(C)OC(=O)NCCC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 1664792820 FMXSOEZXAOCZRW-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)CC2)cn1 1671565988 BITALKSWSHRLKF-JOCHJYFZSA-N 420.517 1.552 30 10 HDEE C=CC1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1673442701 LFPGIPISKYCJJL-UHFFFAOYSA-N 407.492 1.438 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1c(Br)cnn1C 1675166783 AMGHUEFSMPKDSQ-NSHDSACASA-N 419.287 1.265 30 10 HDEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1680411956 FUDADOPZMPOQHH-HNAYVOBHSA-N 424.523 1.133 30 10 HDEE C#C[C@H](NC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCCO1 1681816447 QFAZGYLIKXIGQX-DLBZAZTESA-N 407.511 1.979 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O 1683129750 DJJHXYWLYUFEJQ-DNVCBOLYSA-N 403.479 1.879 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@H](OC3CCCC3)C(F)(F)F)C2)c(=O)nc1O 1683717025 IJRHSNFIQQXSNX-ZDUSSCGKSA-N 415.372 1.277 30 10 HDEE COc1ccccc1OC[C@@H](C)CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1685748091 OJIXILVZMCBNAJ-ZDUSSCGKSA-N 413.434 1.111 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1689827083 ZLKRBDHREZGIGB-KBPBESRZSA-N 423.514 1.680 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]1(C)C#C 1689930782 ZFXHGSHWBNYXJH-VQIMIIECSA-N 405.524 1.017 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)OCCCO3)CC1 1690133430 GRNKGZXOSQYWHV-UHFFFAOYSA-N 411.506 1.779 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC)CC1 1690244570 ZEZYXBYNOMSNDC-AEFFLSMTSA-N 413.526 1.622 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1690663593 BDMZSYFJRPTGSB-GFCCVEGCSA-N 420.876 1.707 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)C1 1690685764 CQIVMHBXRBCUNM-XJKSGUPXSA-N 424.502 1.252 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1)OC 1697767380 QEVSCXIYJASCLX-SFHVURJKSA-N 424.461 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1705494941 INJXUDCBHRUXAV-HRCADAONSA-N 400.504 1.814 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705519989 DXONXRXPKQUDCL-MRXNPFEDSA-N 413.482 1.473 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705630572 YPBLQDKBXYEUII-HSZRJFAPSA-N 420.517 1.915 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1705752673 CMZKMBHHISVAIN-AWEZNQCLSA-N 407.906 1.366 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705895333 BYLLDLVJYLSQTJ-HNNXBMFYSA-N 416.869 1.542 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cccnn2)CC1 1705899274 NBIXNVKEIVXMMD-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE CC(C)N(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)C(C)C 1706074750 DAHTZXWLGWZYEC-SJORKVTESA-N 410.588 1.895 30 10 HDEE Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1707681270 CIVUCDTUAUMSDX-QGZVFWFLSA-N 412.494 1.923 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)cs1 1707759197 QPYLYNVHMSMUPF-KRWDZBQOSA-N 408.553 1.809 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1709185795 DYQRUKMGAWRWHK-IRXDYDNUSA-N 421.505 1.446 30 10 HDEE CC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1709269160 CCWQJUSAMBXTNR-OAHLLOKOSA-N 407.482 1.927 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1712667705 GZMFOQZULJTAII-NVXWUHKLSA-N 401.492 1.477 30 10 HDEE C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1719930723 OKTMSNYHNYNEBD-DZVNLGKHSA-N 403.523 1.794 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1722358858 MUEMKDBJDLVLCI-QGZVFWFLSA-N 415.519 1.175 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@@H]2CCCO2)CC1 1722436545 IPKUMNPSWYSWJQ-PMACEKPBSA-N 417.554 1.861 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722439829 RDBLILQFRCGTFY-PMACEKPBSA-N 410.522 1.071 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1722648705 VVAWADLAKXTXPR-SFHVURJKSA-N 403.575 1.296 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1722688410 COXYBXIPTQHQRF-UHFFFAOYSA-N 408.466 1.718 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722936413 VQCPJAFEHNDAIX-KBZZJAQTSA-N 415.473 1.835 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)C1 1724002666 HVNPYUUHNPQSIT-UTKZUKDTSA-N 415.542 1.206 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)CC1 1724012525 UCKCQLVVJOHXNA-IRXDYDNUSA-N 416.526 1.802 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1728801738 DXVJOMXEGQQQDP-MOPGFXCFSA-N 400.487 1.237 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1740549770 FRXNPZLZDZXDSQ-SJORKVTESA-N 413.497 1.961 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740593153 UPUPGTOXPHWBOB-UHFFFAOYSA-N 404.478 1.264 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627041 ODVWXBMLKNXQCJ-KZNAEPCWSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628336 PMYWXSZHKVELMH-GVDBMIGSSA-N 424.567 1.817 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740663455 JNSFVCZBHZTCME-RTWAWAEBSA-N 401.511 1.401 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2CC)CC1 1740698437 FWDAYRLMQPBMGU-UHFFFAOYSA-N 406.534 1.766 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2[C@@H]2C[C@H]2CF)CC1 1740702474 PVDSZDASRKOGTP-HYVNUMGLSA-N 407.490 1.498 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cn3ccccc3n2)CC1 1740705675 KPPIZJHMSOZUCB-UHFFFAOYSA-N 405.506 1.697 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCS(=O)(=O)C(C)(C)C 1740730336 WVLZLKTVGSNWIM-LJQANCHMSA-N 402.524 1.941 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1740794934 KTKXXOJLPHSVJB-GOSISDBHSA-N 405.543 1.676 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740870075 IPCJUXJLIQJDPW-HNNXBMFYSA-N 417.535 1.982 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740889414 ALICPBYDPPKYGC-CVEARBPZSA-N 404.471 1.992 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1741123489 DFMQLYPDIRGFNN-HOTGVXAUSA-N 419.493 1.980 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1742905161 AJNZCFZCUBXCNE-VTJXTGGHSA-N 410.478 1.024 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1745898261 TXIDNYTXGATEDG-HXUWFJFHSA-N 404.515 1.537 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)Cc1ccccc1 1748958549 AESUWLQGGSHMPV-UHFFFAOYSA-N 421.505 1.423 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCOC2)CC1 1748993745 KHMFBCZFVBNMCS-NRFANRHFSA-N 424.549 1.462 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749037077 AWHCJSJSBPZWRJ-SQGPQFPESA-N 406.552 1.923 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749096061 FUBZOAFACVLOLZ-CQSZACIVSA-N 420.315 1.948 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1749114961 JOKVCOOECVVUGH-ZACQAIPSSA-N 419.526 1.787 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1749629870 JNAMKYSLXIAYCH-HNNXBMFYSA-N 424.548 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCOC1 1749732313 VMFCBGRJOBAWBT-DLBZAZTESA-N 412.556 1.636 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1750506771 AIMFZVNFHDKAJT-KPZWWZAWSA-N 407.450 1.196 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCCOC)C1 1760366350 XIQIRZMQTWJXNG-KBPBESRZSA-N 421.951 1.273 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCNC(=O)C1)C(C)C 1760487672 AUCNOGYMNQFNMT-LJQANCHMSA-N 411.554 1.918 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1760714205 XYBVQHOONUPUFU-AWEZNQCLSA-N 417.901 1.885 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1761544699 JFBOBAREMLMKEC-GUYCJALGSA-N 417.482 1.940 30 10 HDEE COc1ccc(OCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1768747464 XXSBCKAPQHXBPP-GOSISDBHSA-N 421.461 1.942 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOCC(C)C 1771304994 PQVUUSSRISVPAP-BZSNNMDCSA-N 407.515 1.794 30 10 HDEE N#Cc1cnc(C(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c(Cl)c1 1852396457 DUHPKWPDCDQPKD-NVXWUHKLSA-N 424.844 1.775 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C[C@@H]4CCOC4)C3=O)CC2)CC1 1853690932 LDMZCRWKLLREQQ-PKOBYXMFSA-N 416.522 1.015 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)cc1 1854024061 OYMBRUGXZFEKSB-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1=O 1854226216 GRSNBHUFTRXLQJ-DLBZAZTESA-N 415.490 1.093 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)COc3cncc(Cl)n3)C1=O)CC2 1855010578 QMCLPTXROOZHDO-UONOGXRCSA-N 403.870 1.652 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(c3ncc(F)cn3)C2)C1 1855375299 LLURVINXIBKCNA-CRAIPNDOSA-N 401.486 1.858 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)CC[C@H]3CCCO3)C2)CC1 1855852797 JKHOEHIHIXNALF-IEBWSBKVSA-N 411.506 1.410 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc3n(n2)CCCO3)CCN1CCOc1ccc(C#N)cc1 1855944930 WWJBWGROMVEODP-OAHLLOKOSA-N 409.446 1.289 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(OC)ncn1 1856079977 BCDOYNKTLORTST-UHFFFAOYSA-N 416.459 1.411 30 10 HDEE C=C(C)CN1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C(=O)C1(C)C 1856106204 DYAZTIPEQKZVID-UHFFFAOYSA-N 408.520 1.885 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCCC3)C2=O)ccn1 1856442823 GUWUWOAGHDJVKQ-UHFFFAOYSA-N 402.476 1.433 30 10 HDEE N#CCCN1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)C12CCCCC2 1856625248 BOLBDOXEVCNLGE-MRXNPFEDSA-N 400.483 1.216 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCN3CCCC3)C3(CCCC3)C2=O)CC1=O 1856834893 FZNLAVZLXIIYLG-SFHVURJKSA-N 402.539 1.100 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)Cn4cccn4)C3=O)CC2)c1 1857032936 NGMJFJPCBPAOLR-GOSISDBHSA-N 408.462 1.068 30 10 HDEE Cc1cccc(C)c1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857065812 ATFOIBDASDFACN-KRWDZBQOSA-N 403.504 1.858 30 10 HDEE CC(=O)[C@@H](C)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1857138943 QXGORXURSGLIRR-RHSMWYFYSA-N 416.909 1.742 30 10 HDEE COc1cccc([C@H](CNS(=O)(=O)c2ccccc2C#N)N2CCOCC2)c1 1858072967 ZIKYGBXADJXMDQ-IBGZPJMESA-N 401.488 1.919 30 10 HDEE COc1ccc2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c(C#N)cc2c1 1858204588 ANWKNPXCEWWFGR-CQSZACIVSA-N 405.501 1.853 30 10 HDEE CN1CCC[C@H](C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)C1 1859093632 OPONQSQOWFJTEJ-AWEZNQCLSA-N 409.450 1.300 30 10 HDEE CN(C)CCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931982 ONVXNSGAFMFQRV-QGZVFWFLSA-N 400.504 1.014 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(Cl)c(Cl)c2)[nH]1 1871485959 WCQSUYHEECDXMP-UHFFFAOYSA-N 424.336 1.478 30 10 HDEE NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccc(S(N)(=O)=O)cc1 1872729915 ASIOSEQSQDDDSL-UHFFFAOYSA-N 400.485 1.656 30 10 HDEE COc1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1OC 1873529918 RASMGKBKAHKJRT-UHFFFAOYSA-N 402.476 1.887 30 10 HDEE COc1cc(/C=N/n2c(S)nnc2CNC(C)=O)cc(Br)c1O 1874560399 VVIFZHLTPHDYBH-FZSIALSZSA-N 400.258 1.562 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(Nc3cc(N(C)C)ncn3)CC2)cs1 1889519211 ZWEROCVKDDEWLO-UHFFFAOYSA-N 415.523 1.632 30 10 HDEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)CC1 2118163265 PAQZBQQLDFBDER-VWLOTQADSA-N 406.530 1.184 30 10 HDEE C#CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 2180116411 ZJMNBNFOLZYMQG-JKSUJKDBSA-N 400.541 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 2183268799 AJHZXYQOMRLORV-KBPBESRZSA-N 415.899 1.860 30 10 HDEE C=CC[C@@H](COc1ccc(S(N)(=O)=O)cc1C(=O)O)NC(=O)OC(C)(C)C 2184539559 DDOPQIZYKZOSES-NSHDSACASA-N 400.453 1.880 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NCC1CC(O)(C(F)(F)F)C1)C(F)(F)F 2188134208 SPLOPTXWTHRXQL-KRQGOYHBSA-N 404.229 1.806 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195307358 SSPXXZKJSRAJJR-QWHCGFSZSA-N 404.529 1.832 30 10 HDEE CN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2243389783 XOPACTBEXRDXKS-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247778687 GKFCAKJBGKZYFU-ZIAGYGMSSA-N 420.319 1.505 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248403924 HISVKDIIGXOAFM-IUODEOHRSA-N 421.303 1.593 30 10 HDEE N#Cc1ccccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258138774 OKINYFTUUFCZDV-INIZCTEOSA-N 403.416 1.680 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cnn(C)c2I)cc1C#N 2280044054 JNWVFPXOOYSZHZ-UHFFFAOYSA-N 403.205 1.401 30 10 HDEE CCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2282015675 NMQVZIZYTCWHOZ-NSHDSACASA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H](CO)C3)s2)OC1(C)C 2282340124 BKWDJOBQAMSXIC-STQMWFEESA-N 401.359 1.877 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@H](C)S1 2282343651 RDMLKCFMUBBQCX-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@H](N)CC3)c2)OC1(C)C 2282346591 WWTBGRMWGOKSJE-KBPBESRZSA-N 400.375 1.986 30 10 HDEE CCNC1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282492772 SRSJXDBMQIKWGM-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3(CCCO3)C2)OC1(C)C 2282510971 HFWSSVFORCUNKA-UHFFFAOYSA-N 400.331 1.137 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H]2C2OCCO2)n1 2282596982 DVJLUDLDYWHMSI-HNNXBMFYSA-N 405.304 1.570 30 10 HDEE COC(=O)[C@H](N)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282641586 BUHRDANYCPEQFW-SNVBAGLBSA-N 402.709 1.321 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)C1(C)C 2282834870 NVTCFMJRVGFXEM-CYBMUJFWSA-N 401.359 1.890 30 10 HDEE CC[C@H]1CCNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854566 TZXRVXGCQMLQNB-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282859712 POLHFGHCVMVXID-SHZVTRLKSA-N 401.359 1.373 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@](C)(N)C3CCC3)c2)OC1(C)C 2282862639 GFGABOLTNZUEBK-QGZVFWFLSA-N 400.375 1.843 30 10 HDEE C[C@H]1CNC[C@H]1CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282862826 IYXJAWWZCXNTSG-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE Cc1nc(S(=O)(=O)N2CCSC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870185 ODMXPPZOYJCJFS-LLVKDONJSA-N 401.363 1.154 30 10 HDEE C[C@H](O)C1(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CC1 2282874722 FIYQNXPXZUFVFK-NSHDSACASA-N 401.721 1.831 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284403475 RYTAKDPMGOAGHC-JTQLQIEISA-N 421.371 1.450 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284403623 RRKFCPCREVVIAY-JTQLQIEISA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H]3CC(N)=O)c2)OC1(C)C 2285739607 RHBZZGPDYGVMOR-LBPRGKRZSA-N 400.331 1.076 30 10 HDEE Oc1c(Br)cc(Cl)cc1C=NNC(=S)NCCN1CCOCC1 2330468292 MIIKQJCPSBHMDN-UHFFFAOYSA-N 421.748 1.938 30 10 HDEE COCCNS(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343831620 QYUDERKZIAXFRP-UHFFFAOYSA-N 410.754 1.271 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2360552673 FHJUNOLCUWBEJY-TXKKKEFDSA-N 401.529 1.855 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363703510 HVGPVRDZUTYBBQ-KBXCAEBGSA-N 413.565 1.863 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(N(C)C(=O)OC(C)(C)C)COC1 2365198041 DAVMYEHYINEHDJ-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2365213545 VFNSTTUNQLHZLT-JJXSEGSLSA-N 400.541 1.283 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@H](F)C2=O)OC1(C)C 2365707270 LTRLUNQDWMWQSS-GFCCVEGCSA-N 403.668 1.898 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccco3)n2N)cc1 20527767 LWSVTSWRBNNFOX-KEBDBYFISA-N 401.452 1.448 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)nc2n1 109941252 HKDPURMOPYFGKV-OAHLLOKOSA-N 407.459 1.767 30 10 HDEE COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 169907842 CGFCPKWBJBXESG-CAOOACKPSA-N 422.375 1.359 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)CCS(C)(=O)=O)OC1(C)C 404942484 QLKJUOXDTMEZDF-UHFFFAOYSA-N 423.749 1.426 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 437421469 VUEKIGFFOPTLMF-GDBMZVCRSA-N 407.492 1.586 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)c(F)c1 440082964 ZLNKKIRAURIBGV-UHFFFAOYSA-N 408.499 1.157 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C#N 440374464 LKSRDHFHRSTARN-UHFFFAOYSA-N 414.446 1.964 30 10 HDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443319931 JNTHBIROHJWUEA-CYBMUJFWSA-N 412.368 1.913 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1F 446631210 KJSNPEDOQLLKQR-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE CC(C)(CNC(=O)Nc1cnn(-c2ncccc2C#N)c1)N1CCS(=O)CC1 462097128 NNBNEGPWZWCVCF-UHFFFAOYSA-N 401.496 1.103 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(COc3ccccc3F)on2)CC1 464632477 XDRZKSRVCMNMJY-UHFFFAOYSA-N 402.426 1.453 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(c2ccccn2)CC1 464960621 OQKPKJFQVBMPTL-INIZCTEOSA-N 406.494 1.632 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 465812837 OAKUTOGUGKYLPA-UHFFFAOYSA-N 422.489 1.370 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4cc(C#N)ccc4[N+](=O)[O-])CC3)C2=O)n(C)n1 466543477 UWSAMGHWGHNOSJ-SFHVURJKSA-N 423.477 1.826 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CCCOc1ccc(C#N)cc1OC)C2 478063343 BYKPLHCCNWNYBD-HRAATJIYSA-N 402.447 1.764 30 10 HDEE Cc1noc(CN2CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n1 500247842 OYRSUQBSVDXEFW-HNNXBMFYSA-N 400.458 1.970 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 505198835 PYKUTDQHMSHYIF-LJQANCHMSA-N 424.501 1.945 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508841426 RAYRGJLOTYNANF-QGZVFWFLSA-N 406.494 1.895 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 514644864 CWIYPONTRGWZGI-UHFFFAOYSA-N 409.442 1.757 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 515665326 QHAPYKSYFLZHSZ-UHFFFAOYSA-N 420.519 1.861 30 10 HDEE CN1CCN(c2ncccc2CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 520728450 FIEKJJHZDBYMMZ-UHFFFAOYSA-N 405.911 1.837 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 523566569 AHKSKDATOODJNN-AWEZNQCLSA-N 408.499 1.451 30 10 HDEE COc1ccccc1N=c1nc(N)nc(CN2CCN(c3ncccc3C#N)CC2)[nH]1 532757532 KZOPVVRXKAPYLD-UHFFFAOYSA-N 417.477 1.217 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 533138971 DZGAXGQZTQVZHS-INIZCTEOSA-N 415.519 1.015 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC1)C2 535125526 MCSVALAERHCJSJ-IRFCIJBXSA-N 407.518 1.433 30 10 HDEE COC(=O)c1cc(I)cc(NC(=O)N2CCO[C@H](C#N)C2)c1 536320252 NKDORCJARCISTC-GFCCVEGCSA-N 415.187 1.834 30 10 HDEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 543658263 MZPRWIBAJXLLAL-UHFFFAOYSA-N 412.471 1.272 30 10 HDEE COCc1nc(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)co1 548137382 AKPVAGCLGWUTDP-OAHLLOKOSA-N 408.418 1.728 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)Nc3nc(C(F)(F)F)cs3)CC2)nc1 551718926 NFYALNFPFNCLLS-UHFFFAOYSA-N 410.381 1.716 30 10 HDEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 559024875 YHDZYDGDMQUHDX-HNNXBMFYSA-N 400.870 1.322 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 561947329 SRDGVAQTYCYXBZ-HNNXBMFYSA-N 423.514 1.343 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)cc1 564240060 DMEYFTJCZSVDPV-SFHVURJKSA-N 418.519 1.518 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3nccs3)CC2)cc1 576201864 SEEJCMMNZMETOT-UHFFFAOYSA-N 419.532 1.663 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3ccc(-n4cnnn4)cc3)cc21 586268170 MYYWPAVPZPAWIL-UHFFFAOYSA-N 419.397 1.613 30 10 HDEE N#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 609329148 YCFMRMYTQAATKK-UHFFFAOYSA-N 424.954 1.845 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)NCC#Cc1cccc(C(F)(F)F)c1 674612471 WFDHOYNCHQRAQB-UHFFFAOYSA-N 403.426 1.734 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CCS)C(=O)O 703975226 VTAPJQUMEUVJKL-CYBMUJFWSA-N 414.505 1.001 30 10 HDEE C[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)c1cccc(NS(C)(=O)=O)c1 726981288 PPUPPAKOOOTJBK-CYBMUJFWSA-N 400.460 1.537 30 10 HDEE Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706416 JBBPXMJZOIUQEU-SFHVURJKSA-N 413.547 1.686 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NCc2cccc(C#N)c2)c1 746555387 VGZZIOFVKSQYPB-UHFFFAOYSA-N 405.407 1.079 30 10 HDEE CSCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 751833194 ZYWILMAMXIQWGX-UHFFFAOYSA-N 412.540 1.649 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 752304059 YMKAKHWJAWFBPH-UHFFFAOYSA-N 403.504 1.377 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 754936248 HZXRSXZBHKPXTE-AWEZNQCLSA-N 404.471 1.499 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760771718 FXPYHQCECNSAIX-HXUWFJFHSA-N 403.458 1.951 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 764419806 WIYFJHJBSGULAF-BKJYESAMSA-N 421.498 1.458 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 767701140 WIQVYAVPSPXNLV-LPHOPBHVSA-N 416.474 1.643 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778742444 WPUUUOXKJHPHES-SFHVURJKSA-N 413.455 1.819 30 10 HDEE COc1ccc(C(=O)CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1OC 784664872 ASGZBWFNORZVLB-OAHLLOKOSA-N 401.463 1.874 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(=O)N(C)C(C)C 787493275 KCCDDPYSWAJIGQ-GOSISDBHSA-N 411.506 1.613 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1 788820476 RGWMJJKCGUTBCZ-KRWDZBQOSA-N 402.495 1.748 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(NS(C)(=O)=O)cc2)n1 788860172 OBXWOKNQRVFZSJ-UHFFFAOYSA-N 419.507 1.246 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 793195759 FPQVJKLPGKVHEB-QGZVFWFLSA-N 412.471 1.172 30 10 HDEE C[C@@H](OC(=O)c1ccnc(C#N)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 795970369 CQOQVVAHPCELEB-MRXNPFEDSA-N 408.458 1.647 30 10 HDEE C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@@]2(CCO[C@H](C)C2)O1 797417427 RQRVDFSVQPXYMG-JLHGSKIFSA-N 412.490 1.938 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 806811540 QXDOANMFLQAPER-SFHVURJKSA-N 413.499 1.961 30 10 HDEE CC(=O)Nc1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(F)cc1F 810225742 LPJWLOHXKTZKBI-UHFFFAOYSA-N 408.386 1.712 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849491057 QVAKLKBTPCRZIU-LEWJYISDSA-N 421.549 1.849 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858066170 ZCEUNRPSHQGCFL-HNNXBMFYSA-N 414.487 1.499 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2cccc(C#N)c2)NC(C)=O)cc1 916808998 JOFRHMOKDFWRPH-SFHVURJKSA-N 401.444 1.639 30 10 HDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cccc([N+](=O)[O-])c3)n2)CC1 1083923354 CNDUSESZOVYFJX-UHFFFAOYSA-N 404.456 1.025 30 10 HDEE CCN(CC)C(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1084653139 PNWUIJQPOIPYCG-UHFFFAOYSA-N 423.455 1.834 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1116546483 WQLZPVPAZPEGPL-AWEZNQCLSA-N 417.325 1.921 30 10 HDEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1130744849 JOJQSSUVMFQBAR-GOSISDBHSA-N 405.520 1.986 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OC)ccc1F 1133642839 PLZSPXNNCFHNII-ZFWWWQNUSA-N 414.455 1.131 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCCS3(=O)=O)c(C#N)c2N)cc1 1137137209 MSQUJZFJRQCHGY-QGZVFWFLSA-N 401.492 1.261 30 10 HDEE C#CCn1cc(CNC(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)cn1 1139861214 QVYXRISKSDYHLN-UHFFFAOYSA-N 410.474 1.515 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1143720350 AUCSMUFHTJNAFI-UHFFFAOYSA-N 409.508 1.461 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)Cc1ccc(C#N)nc1 1148535979 SVDZBNDBDXDHKJ-MRXNPFEDSA-N 402.451 1.507 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C)C(=O)OC(C)(C)C 1163731143 DNYJZVOUTRJIGD-STQMWFEESA-N 405.417 1.915 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1179982363 KLOOREAECKARHW-CQSZACIVSA-N 414.321 1.249 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@]4(C3)CC(F)(F)C4(F)F)CC2)o1 1197720054 PLBWJFBAVNQYPJ-MRXNPFEDSA-N 415.391 1.870 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1203458987 GAOPBDZEHDDINR-CQSZACIVSA-N 404.471 1.039 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 1224112387 DWSPXPMSYLIRND-WWDZGPRUSA-N 415.494 1.389 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1230269152 VKQFYAMSSYJMOB-FZKCQIBNSA-N 419.444 1.835 30 10 HDEE CCNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)c1 1248505762 RWRXDADLYGVGQF-UHFFFAOYSA-N 402.476 1.864 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1252459583 SUDNEBGKYBTKAL-AWEZNQCLSA-N 413.521 1.353 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1nccs1 1265710921 GXEVCMHEFSHCJJ-UHFFFAOYSA-N 405.457 1.214 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1286281634 IRAGWUMUEAPINC-MRXNPFEDSA-N 422.493 1.310 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286378530 QAFGNQUXYDHALI-UHFFFAOYSA-N 416.547 1.966 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1286399033 XBRDWVJXVRGGPN-VQTJNVASSA-N 421.501 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1286425783 XLPAFPPMNSVVKT-GOSISDBHSA-N 408.506 1.241 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCN(C)C1 1286460854 RKVOVJHQWQSVQG-JOCHJYFZSA-N 409.490 1.844 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1286792450 YEGYJZONNIXPSU-SFHVURJKSA-N 410.478 1.505 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286809500 TXKXUOMBEAFEPL-KRWDZBQOSA-N 424.567 1.657 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286836595 OISFZHUHKOQLDF-QGZVFWFLSA-N 422.599 1.695 30 10 HDEE CC(C)COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287841373 GWEHEABIKHLBLB-MSOLQXFVSA-N 415.542 1.468 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN1CCCO 1290864951 FNVOTUWFDZJLMB-LJQANCHMSA-N 410.526 1.027 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@H]1O 1299417532 OBXLOFXIBVKWAL-JJRVBVJISA-N 415.450 1.045 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1300322595 UNYMHSWWXGHGFK-DLBZAZTESA-N 411.510 1.259 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1300430422 MJCGQNGLJGTKQT-RHSMWYFYSA-N 419.576 1.988 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1300663810 JHMWUFYUJCAXSX-UHFFFAOYSA-N 417.535 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(OC)CCOC2)CC1 1300719671 LIKAULMPULCBLY-OAQYLSRUSA-N 412.494 1.045 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(OCCOC)CC1 1300755154 MQCUQDQKJSHEPX-UHFFFAOYSA-N 404.540 1.677 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1300843438 FPSRWHUIOMWXTI-NSHDSACASA-N 413.276 1.026 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300993554 CBPYYHYAHXCBKR-IBGZPJMESA-N 414.510 1.198 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1301967097 AQUZXPNHEGEYRB-CABCVRRESA-N 413.544 1.565 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCCCO)CCO1 1303001530 CISHRTLDASSVFO-MRXNPFEDSA-N 418.479 1.698 30 10 HDEE C[C@@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1305111332 BJDIARHCLULWMI-VQHPVUNQSA-N 417.558 1.855 30 10 HDEE CC(C)(C)C(=O)Cn1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nn1 1306892508 IMNYNOLLKHHLOD-UHFFFAOYSA-N 413.434 1.411 30 10 HDEE CCOCc1nnc(N2CCC[C@H]2C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314371007 NATYYJNFJZWPNO-MJWGMMHASA-N 402.499 1.966 30 10 HDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1314639031 VMQJCAAAUQLKMR-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1316033387 IZPKRBALGLDGHA-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CCCn1c(N)c(N(CCOC)C(=O)c2cc(C#N)cc(N(C)C)c2)c(O)nc1=O 1352745807 ANQIPEMYOATDAG-UHFFFAOYSA-N 414.466 1.172 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1(C#N)CCSCC1 1354089518 DJNZGBCNYRZQGV-UHFFFAOYSA-N 409.533 1.991 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1354428044 JCMMVNPMVIHABB-UHFFFAOYSA-N 419.445 1.742 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCOCC1 1355540180 GXUDYOWPRDPXTC-OAHLLOKOSA-N 409.483 1.708 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1358869625 QDLGSNPLULRXHW-HNNXBMFYSA-N 404.478 1.805 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358963246 FCYHBEXURLRPAL-HZPDHXFCSA-N 421.567 1.018 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCOC[C@@H]2OC)n1 1359027341 FZLAJAGJLNYALQ-MJGOQNOKSA-N 402.499 1.121 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCn2ccnn2)CC1 1359032284 IXAXMEZBJYVZDW-UHFFFAOYSA-N 404.522 1.945 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C 1359137462 QLENHDZNXNOJRF-SFHVURJKSA-N 418.586 1.911 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359638539 ANAHCOYVNUCIBD-KRWDZBQOSA-N 409.494 1.291 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2nncn2C)CCOC1 1360335527 FXYYYNVCKGMTSI-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1360476550 NRYXCYYMAYDVNY-GFBZJKCLSA-N 413.482 1.784 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)CC1 1360792337 MUWAPUMIEUXNQO-MRXNPFEDSA-N 402.499 1.509 30 10 HDEE C#CCN(CC(=O)N(CCn1ccnc1)Cc1cnn(C)c1)C(=O)OC(C)(C)C 1449271320 NRMUFJRSYQDTQG-UHFFFAOYSA-N 400.483 1.516 30 10 HDEE C#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1449805091 ZLBIJUIIELDLPV-UHFFFAOYSA-N 402.472 1.670 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C)COc3ccccc3O2)cc1 1454018384 RGPPXZCBPAMAKS-HXUWFJFHSA-N 400.456 1.558 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1455968100 WGFNHRCRJJLISD-LRDDRELGSA-N 410.920 1.342 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1OC 1456731167 FLDJYXHQGIFAGQ-UHFFFAOYSA-N 400.460 1.534 30 10 HDEE CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1457199871 LRVODMXKXXAQOB-UHFFFAOYSA-N 423.473 1.636 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(CC(=O)Nc3ccc(OCC)cc3)CC2)nn1 1457624877 GWLMXESDHFVIAM-UHFFFAOYSA-N 412.494 1.649 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1461273921 FNIHVZIAACVSSQ-NRFANRHFSA-N 407.405 1.839 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 1465766941 VCXOITDJZUWVNV-OAHLLOKOSA-N 413.927 1.983 30 10 HDEE CCOC(=O)[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1466166216 HLIKIEYRZJINCL-IAGOWNOFSA-N 417.462 1.433 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1466735614 CAVJXLUDVKNMBD-RBZJEDDUSA-N 404.467 1.505 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 1470145648 ZWHDLJBTYPGDOL-QHCPKHFHSA-N 423.517 1.808 30 10 HDEE COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1472003241 HPHFIKUGEBQMQK-INIZCTEOSA-N 421.519 1.601 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1475380017 WJJFTIJCDLMBRH-LJQANCHMSA-N 406.504 1.699 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1478897035 URVXUDFYKKNWII-UONOGXRCSA-N 400.298 1.457 30 10 HDEE COc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC#CCO 1479161932 SLQZGMFEHAZYLE-QGZVFWFLSA-N 403.479 1.994 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479377854 KHMAUTQPYXYDRL-MRXNPFEDSA-N 422.526 1.183 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCC1 1497084475 BHHDDXMVUMKKHO-QGZVFWFLSA-N 403.531 1.411 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1503279547 IHHNSPPILPDESY-YJBOKZPZSA-N 410.544 1.241 30 10 HDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1503418943 SFLVVAVTUYSONO-KIJUOZEOSA-N 409.450 1.092 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1504572239 LKYOEJDYUBGQAT-OPAMFIHVSA-N 424.505 1.728 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCCO2)nnc1N1CCC(F)(F)C1 1505354090 MICHRTVXPGDJAY-DHSYKJLNSA-N 422.436 1.892 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1507512003 BNBQCFDUNQMPAQ-INIZCTEOSA-N 415.519 1.446 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCNS(=O)(=O)CC 1507541620 HLVNMIMCWLSGJO-MRXNPFEDSA-N 405.524 1.563 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507592250 RMGWWUPXIGTRBV-GFCCVEGCSA-N 407.400 1.878 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1507605482 UZRUEXIXKOUILM-NRFANRHFSA-N 405.543 1.235 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507612051 BUAXRXBOWPDYQO-HNNXBMFYSA-N 413.478 1.763 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507636110 YXMURUVCVGOVPT-AWEZNQCLSA-N 420.564 1.320 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(CC)s2)CC1 1507716410 QONIGOMDJNWIJN-UHFFFAOYSA-N 412.563 1.942 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1507730566 TWDBVRHJBYGVQL-SFHVURJKSA-N 424.540 1.588 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(N3CCOCC3)c2)CC1 1507736640 REVYDHOEKITEJB-UHFFFAOYSA-N 422.533 1.437 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H](C)C1 1507764447 MIMACGHNXWJMDZ-YYAJDYIMSA-N 409.556 1.696 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCOC)CC1 1507793874 CDRVENFHEFBEKA-RTBURBONSA-N 405.543 1.937 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1507810047 ZAXGVTMRHWDLJC-UHFFFAOYSA-N 420.477 1.870 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508046812 IISKFSGIWUQHMS-UHFFFAOYSA-N 407.478 1.577 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1508159747 PTHPTGBQSBEUHF-CVEARBPZSA-N 417.539 1.250 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H](C)O1 1514141771 OEKPLPXBUIMPEB-YJBOKZPZSA-N 407.482 1.897 30 10 HDEE Cn1cccc1-c1nnc(N2CCSCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517407392 ZZLLBIIBNDWJOO-FBMGVBCBSA-N 413.507 1.363 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 1526803874 XZFCFDJZBARFKX-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1536221350 WIWSNKRHFUPLNK-UZLBHIALSA-N 412.531 1.379 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCOCC1 1539415206 BAXFWDPEQKFVND-SFHVURJKSA-N 405.543 1.369 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]nc1C 1539538356 GHIZRBZJVAYSAW-HNAYVOBHSA-N 419.555 1.545 30 10 HDEE C=C(C)COCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1539759399 GXWNFBLKVKONFM-NRFANRHFSA-N 421.542 1.582 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C1CCOCC1 1539807976 NRAGNWZWNQRLLQ-VAMGGRTRSA-N 400.475 1.957 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC1 1539849365 WNEGYXNYYMMPAX-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1539961991 HFHFSMVJUXYMKW-UHFFFAOYSA-N 402.472 1.550 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1540007020 XQRPBKGAIVKGHM-INIZCTEOSA-N 411.510 1.569 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](C)C1 1540901368 BDPTXIWPVCDSER-IYBDPMFKSA-N 405.524 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1540902026 YERHLXCQWKLPGW-GOSISDBHSA-N 403.512 1.409 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540903460 DYZYWNIEPLULIV-SJORKVTESA-N 412.556 1.462 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1541619893 NQAFNHBCHQQISP-PXNSSMCTSA-N 420.533 1.849 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C(=O)CC[C@H]3C2)C1 1545816223 DAKRCVDJVZSSTP-HNNXBMFYSA-N 403.280 1.590 30 10 HDEE CC[C@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1546082845 DRWOHFHVFQYODH-SCLBCKFNSA-N 422.511 1.407 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547728480 BSEUIAJDYINJIO-ICSRJNTNSA-N 415.586 1.938 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1(C)C 1555168342 OQZVBJYQRKFIDJ-GOSISDBHSA-N 424.505 1.537 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1555989005 VYZPSVSYPFUCET-ZZEZOPTASA-N 403.446 1.943 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)C(C)C)CC1 1556585639 AWTRQBATIVPRNN-KRWDZBQOSA-N 421.519 1.603 30 10 HDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1557361444 XHBIBONSOZLPKG-AEFFLSMTSA-N 413.474 1.918 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C)C[C@@H]2CO)n(Cc2ccc(F)cc2)c1C 1560011153 BJKVZXSNVJYVQE-LJQANCHMSA-N 413.497 1.711 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1564772086 GRHKKYDCRQJFJK-CVEARBPZSA-N 424.479 1.263 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)n1 1565129367 TTZKQPCOUQVQAY-MRXNPFEDSA-N 407.515 1.930 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1565265776 WWEQFBVFTQWTEE-OAQYLSRUSA-N 402.514 1.767 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1566153171 QJWDTCVGLDCUJN-KGLIPLIRSA-N 410.496 1.488 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCCN(CCCO)C3)C2)C1 1569250804 HGEABRQEISJTCN-NYXBAERPSA-N 420.554 1.736 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1cccs1)C1(CO)CCC1 1570788104 FMNSJABBKBXCJA-KRWDZBQOSA-N 419.528 1.807 30 10 HDEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1583505265 RFCXCPLEPCTORU-GOSISDBHSA-N 422.503 1.852 30 10 HDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CN1CCOCC1 1586802990 STIVPOLKMGNFPU-SFUYWUKASA-N 420.554 1.858 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1587305434 NJEOQYFFRNPJKA-SJORKVTESA-N 414.462 1.160 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccs1 1587662590 PQQGYNKIEVLKDS-CQSZACIVSA-N 400.508 1.350 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCCN1S(C)(=O)=O 1587959092 YZIFRBHZJLWGQF-QGZVFWFLSA-N 424.530 1.987 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)CCC2=O)cn1 1588014576 QBTJCTAKCOKMPK-KRWDZBQOSA-N 407.474 1.857 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@H](n3nncc3I)C2)nn1 1588403826 NKYZFBFQIUQOHP-JTQLQIEISA-N 413.223 1.138 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2cncn2)nc1 1588637340 FAUPJJQFMSUPOI-SFHVURJKSA-N 422.493 1.630 30 10 HDEE C#CCC1(O)CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 1588766609 YJMNDQSLKBQSNV-UHFFFAOYSA-N 419.547 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(C)CCOCC2)CC1 1588969193 WWFNDFZSNSNNFR-UHFFFAOYSA-N 403.527 1.597 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1593660970 XCCRREUHDCRDIU-QGZVFWFLSA-N 415.542 1.559 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1593690774 PDNPJQNGHAUTKH-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1594004280 ZSYYCXIFMMTJFE-CQSZACIVSA-N 403.936 1.790 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1594753185 ZOBSMRWIGFVBLA-MRXNPFEDSA-N 424.571 1.132 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2CCCN2CCN(c3ccncc3)CC2)C1 1595681460 RKRQLPQXEFIENL-OAQYLSRUSA-N 411.554 1.975 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595796634 ASINQSWWKJQLRK-KRWDZBQOSA-N 423.583 1.889 30 10 HDEE CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CC2 1598568283 SKYQKGQNEIVLFO-VKFAAQBISA-N 409.508 1.315 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)o1 1611192017 MOJXFFPCOQIXKE-VHRNVKJDSA-N 406.508 1.543 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(N)=O)cc1 1611313301 BGKVIFHTUCHSDB-AWEZNQCLSA-N 410.482 1.678 30 10 HDEE CC1=C(C)CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611834234 AYDBMWOFYRXOOC-ZZEZOPTASA-N 422.493 1.752 30 10 HDEE CCc1nc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cs1 1613889466 AOCSYWSOPNZYOX-UHFFFAOYSA-N 423.502 1.732 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1617184037 AUBYGNVARQHRQD-ZWKOTPCHSA-N 402.495 1.499 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1617350540 MZAQHWMOSQUCCT-MRDQGFSESA-N 408.476 1.973 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCCO)CCO1 1620355551 VQCWPZUDZSYIFU-KRWDZBQOSA-N 408.462 1.621 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(C)C 1620603795 RNYSJEPJZDKVHK-UHFFFAOYSA-N 405.520 1.066 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(OC)cc2OC)nn1 1622264943 WEVLZTZQKHJOQL-UHFFFAOYSA-N 417.285 1.722 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(F)cn3)CC2)s1 1624160621 KWGACFOLCXPGLL-UHFFFAOYSA-N 424.523 1.638 30 10 HDEE Cc1cc(NC(=O)Cn2nc(Br)c(Br)n2)nn1CCC#N 1624281888 UZCOZLMYKPJTNO-UHFFFAOYSA-N 417.065 1.860 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 1625196314 BKVZURZHJRCRBS-CQSZACIVSA-N 409.265 1.795 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)c(C#N)cn1CC 1625717759 BHEUHJBRODGQMX-JKSUJKDBSA-N 403.483 1.619 30 10 HDEE CC[C@@H](C#N)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1626861702 ACVHZLVCLNMYBI-INIZCTEOSA-N 424.498 1.443 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1627385804 QAOGRUICGGREKB-LJQANCHMSA-N 412.508 1.254 30 10 HDEE COc1ccc(C(=O)N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)c2ccccc12 1628366015 ADPBSIRIRVGHAF-SFHVURJKSA-N 411.458 1.807 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)CC1 1629050940 KQWAYVJVZIFKIF-QAQDUYKDSA-N 406.527 1.995 30 10 HDEE C#CCSCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1629584702 NWMCCUOLOCEELD-CQSZACIVSA-N 416.590 1.770 30 10 HDEE Cc1ccc(C(=O)N2Cc3ccccc3NC(=O)[C@@H]2C)cc1S(=O)(=O)NCC#N 1632669847 JKGHYWNHGQCXIY-AWEZNQCLSA-N 412.471 1.780 30 10 HDEE C=CCOC[C@H](NC(=O)CCc1cc2c(C)cc(=O)oc2cc1OC)C(=O)OC 1634063839 RJGUIMYSMQCVPN-INIZCTEOSA-N 403.431 1.903 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CCn2cncn2)CC1 1634355425 GSRJBCNVDSMDII-INIZCTEOSA-N 405.503 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)c1ccc(C#N)[nH]1)OC2=O 1635194720 XKHGSJYSBJMSIC-CQSZACIVSA-N 402.451 1.949 30 10 HDEE COCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 1636183335 HONLBSUREUKPNZ-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 1636352550 JFYOUMJUFMVAOW-CQSZACIVSA-N 409.851 1.861 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1637715009 AGMBLUHIAXOXKQ-SNVBAGLBSA-N 410.801 1.498 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2cccn2C)s1 1638301864 XAOOGEKATUUKPH-MRXNPFEDSA-N 409.533 1.694 30 10 HDEE COC(=O)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCOC1 1640750548 BUBTWGZTADVKDP-FUHWJXTLSA-N 401.463 1.655 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1643305761 VWCBAQYNALCXFG-AWEZNQCLSA-N 404.414 1.454 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC2CCCC2)c2ccccc2)CC1 1644282144 WPONCSNSQACZGP-LJQANCHMSA-N 405.520 1.299 30 10 HDEE C=CCC1(O)CCN(C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1645771677 ACSZAYFLEBJUGS-UHFFFAOYSA-N 401.525 1.453 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C2(CC2)C1 1648022619 FQWNSZDQZWSMLY-VUAZUDAXSA-N 404.467 1.419 30 10 HDEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1C#N 1649377989 UBJGDWZDYBJZEJ-CYBMUJFWSA-N 419.528 1.869 30 10 HDEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)N[C@@](C)(C#N)C1CC1 1652686126 MUTCGJSNQHXRSA-KRWDZBQOSA-N 419.283 1.843 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 1652912160 BRGHDOCGPWVBHV-HNNXBMFYSA-N 417.491 1.583 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nn(C)cc1O 1653245500 QXHZFMQVYDDTGK-ZDUSSCGKSA-N 419.507 1.602 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1OCC 1653726306 USQXCRWOPSGSSV-CQSZACIVSA-N 417.505 1.236 30 10 HDEE C[C@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)CCN1C(=O)c1cscn1 1653808638 FAPUZNBKOFCGCY-RDJZCZTQSA-N 400.504 1.795 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1655107428 NEUAVHZYSBKDAK-GFCCVEGCSA-N 406.298 1.527 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCn2ncc(I)c2C1 1655683788 NRFWKERJMISTDO-CYBMUJFWSA-N 424.242 1.615 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C(=O)NCc3ccccc3)C2)c1 1659134194 QDOBNCPGBGIOKK-IBGZPJMESA-N 404.470 1.954 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc(C(F)(F)F)c2)CC1 1670887704 LCPAIXQPRNSOFO-UHFFFAOYSA-N 424.832 1.976 30 10 HDEE CO[C@@H](c1ccc(F)cc1)[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1679501304 BIKVMVJFLLCKKF-BDJLRTHQSA-N 401.398 1.302 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1680777407 XWAUFEIVYAKUCC-MRXNPFEDSA-N 422.532 1.615 30 10 HDEE CN1CCC2(CC1)CN(C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)CCO2 1681283772 VJMSEYKAIVWMNF-UHFFFAOYSA-N 408.506 1.965 30 10 HDEE C#CC1CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1682096195 SXVKOJIATXJUFL-LJQANCHMSA-N 401.482 1.898 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)c1 1682986974 TZSFUXKERXDFEY-UHFFFAOYSA-N 420.517 1.946 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1 1687033401 YLPALZOGLZHJDP-UHFFFAOYSA-N 405.307 1.288 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnn(C)n1 1689841950 QTEKLAMSWFXOIX-CQSZACIVSA-N 410.482 1.772 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689919340 KMJBYAZLLUDQPY-OAHLLOKOSA-N 422.942 1.925 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1689937362 XVCMQUIUIFRUQE-LSDHHAIUSA-N 412.519 1.398 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689940467 ZVMNSSCBAAWGKG-SFHVURJKSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1689988795 WLCALFJQPUZIMG-KRWDZBQOSA-N 406.552 1.868 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1690015365 JTESGBBRWODIHI-UHFFFAOYSA-N 416.441 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1Cc1nnnn1CC1CC1 1690050004 OUFFNKNMPOPNTB-UHFFFAOYSA-N 418.480 1.916 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690287762 SONVRDHEEAUHPN-GOSISDBHSA-N 402.543 1.493 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1690292655 JSPDUFYVBOEBCV-INIZCTEOSA-N 424.571 1.084 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1690341828 VADUSAWZIYTPGF-CABCVRRESA-N 419.917 1.855 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1690510920 JSRHYNYMMXKNLY-UHFFFAOYSA-N 418.542 1.440 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690742755 ZYRDXVABWCJZJU-JKSUJKDBSA-N 418.567 1.740 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(CS(C)(=O)=O)CC1 1693509286 HBZKRXBSRQGUHQ-UHFFFAOYSA-N 415.523 1.005 30 10 HDEE CN(CCN1CCOC(C)(C)C1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1696822974 ZUJQVJCLSBMHRC-MRXNPFEDSA-N 414.510 1.842 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCSC1 1698060584 HKNHSJZHGIFWAP-LJQANCHMSA-N 402.524 1.883 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOC1=O 1698136223 VESAUVFKWMOLRN-KSSFIOAISA-N 410.450 1.286 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705517048 NQZPSXHGCIUOIM-IRXDYDNUSA-N 409.556 1.351 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1705605445 LCTTWCVWEAODJX-HXUWFJFHSA-N 407.584 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1cc(CO)nn1 1705609378 ARMOSBLDDHLQNC-UHFFFAOYSA-N 409.450 1.307 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc21 1705620863 JJRXHBZWXAPEOT-KRWDZBQOSA-N 409.490 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1705630018 CNXQHUNOUDBGDN-GAJHUEQPSA-N 423.517 1.976 30 10 HDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705826347 BVWSQAPGCGOTBL-KRWDZBQOSA-N 412.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705906295 ZHBIGMVNBXQCLL-MRXNPFEDSA-N 402.543 1.664 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)C1 1705926245 ZZWLKFDHCCTNFI-BRWVUGGUSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1ccccn1 1705932308 RWDOBDNATKFURR-UHFFFAOYSA-N 400.508 1.916 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1705950391 ZOWGPJUGIJGIHC-BEFAXECRSA-N 409.556 1.516 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@@H]1COCCO1 1706316470 XNVLTTYMWGFQSX-GOSISDBHSA-N 411.510 1.800 30 10 HDEE CC(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1706635593 RTWPPSDBCMJADQ-AWEZNQCLSA-N 418.448 1.791 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccccc1F 1706870647 GCRRTEGNZPCBFV-FZKQIMNGSA-N 424.477 1.712 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1707574650 ZNNBLZQMWOZUNJ-OALUTQOASA-N 424.505 1.639 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1708190977 OAJVCHAUFIANIZ-UGKMNXKKSA-N 407.478 1.959 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1712530091 GTGLBUNJXRHKNE-FOIQADDNSA-N 422.505 1.703 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@H]2CC=CCO2)cc1 1712881264 YZCOCBLGFMDCTQ-IEBWSBKVSA-N 422.489 1.776 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722308223 IIGVJVUPXSTTSS-UZLBHIALSA-N 405.499 1.837 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722363510 GDUFCEJMZIKNLX-APWZRJJASA-N 410.540 1.355 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1722381095 HRACVVLAGMXCOB-FQEVSTJZSA-N 416.529 1.401 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1722417112 VJHCUSFQTZKZIZ-UHFFFAOYSA-N 422.514 1.876 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722434877 YQLBLHZBACYANX-OAQYLSRUSA-N 412.925 1.832 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2=CCCOC2)CC1 1722448537 DMPMJRIMNNZAKX-UHFFFAOYSA-N 420.517 1.576 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1722531577 QHBYKLRVBWCZKU-KRWDZBQOSA-N 403.458 1.628 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722608123 VEQHVUQIIJNUHF-LJQANCHMSA-N 407.540 1.495 30 10 HDEE C=CCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622123 FWJIQVVAFGLXST-WIYYLYMNSA-N 405.543 1.806 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722642212 USMVGPBXTWQPKE-LJQANCHMSA-N 411.554 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1722724495 XYJZWTOGBCXGTJ-UHFFFAOYSA-N 410.931 1.562 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)o1 1724321756 GFWPHLFEDOSSEC-OAHLLOKOSA-N 405.480 1.400 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)cc1 1724409911 BZCVMVLMXQIIFL-INIZCTEOSA-N 422.493 1.915 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1728187825 YUKZJMUXTWFZCT-QFIPXVFZSA-N 421.505 1.449 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1740534491 ZENIMZGCRDBCLP-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1740626632 XPTPKBJLGDCNDS-MRXNPFEDSA-N 407.540 1.217 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(C)c1 1740658279 JHXDXHFQQPZLOY-UHFFFAOYSA-N 407.503 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCCC=C)CC1 1740705641 JYZVPJRZJXZVKG-SFHVURJKSA-N 401.511 1.341 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740876275 PVPFSCSEKXEPFR-HUUCEWRRSA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1740887879 FUOXFJCUYCHBQP-GOSISDBHSA-N 415.542 1.695 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1 1740969622 TUZQHNXOVHOXKX-MRXNPFEDSA-N 410.478 1.169 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1741003162 YFVCUVPVGNHOQO-UHFFFAOYSA-N 401.540 1.580 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)o1 1744447272 BFZGXYRRNJNNJZ-DGCLKSJQSA-N 409.516 1.534 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C[C@@H]1C 1746372777 DNHDWHGKXQLJHD-GJZGRUSLSA-N 406.498 1.307 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1cccc(F)c1 1748766614 SYDBVJPEBKMTLH-GOEBONIOSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748817008 CGLAMNKOMJKARK-HNNXBMFYSA-N 407.565 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)cc1 1748867287 DYIJFJXGQYVHCH-QHCPKHFHSA-N 421.501 1.540 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2cccnc2)CC1 1749008795 GCNBJDQMVMVEOI-UHFFFAOYSA-N 416.489 1.339 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2ccnc2C)CC1 1749008947 JOPVPSNKZNYCII-UHFFFAOYSA-N 420.521 1.834 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)CC1 1749286114 FSUPUIUPTPZRQA-RMKBEBRYSA-N 415.585 1.346 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C2CC2)C1 1749688943 AHEMTBPRSHCGDO-AEFFLSMTSA-N 402.543 1.778 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C)no1 1750031519 WQIJEZPMXQWIDT-DOTOQJQBSA-N 415.498 1.523 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CCO1 1750386132 HQGBCFWJSLGOMX-WFASDCNBSA-N 423.445 1.235 30 10 HDEE C[C@@H]1CCCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1752172353 COAIZMIOPWIALI-FGTMMUONSA-N 415.542 1.470 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1752405119 POWSYQVBFWIBTC-LPHOPBHVSA-N 407.522 1.968 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760152160 WWIXNBSJLMTEDR-SJORKVTESA-N 411.510 1.516 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1760188527 BMLOEDCLLXQFCX-LJQANCHMSA-N 416.547 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCOC[C@H]1OC 1760199509 XMOMXIWEQDZVGL-GHTZIAJQSA-N 422.485 1.841 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760441217 ARMPHYBDIAMQSE-INIZCTEOSA-N 404.540 1.700 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cncn1 1760479459 POVKZRVWPBEGCD-SFHVURJKSA-N 417.477 1.585 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)c1cc(OC)c(OC)c(OC)c1 1760551025 QXCDRQKOFWHXCE-UHFFFAOYSA-N 410.496 1.981 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760677017 GWLPAMIGUOTKAO-FQEVSTJZSA-N 418.505 1.520 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1CCOCCCO 1762609323 OJSXRTQCKREJBS-UHFFFAOYSA-N 404.902 1.837 30 10 HDEE CN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766875359 CCZHGEHJUWWISC-UHFFFAOYSA-N 410.526 1.548 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1768633314 DZBXNRSUFXNGPB-ROUUACIJSA-N 415.519 1.725 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769699281 DTFSKNAOILHQSO-BONDDZEJSA-N 402.499 1.933 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1771539697 IEXGAKBNPOVLST-IRXDYDNUSA-N 407.540 1.737 30 10 HDEE CCc1ccc(CN2C[C@H](C(=O)N=c3[nH]c(OC)c(C#N)cc3C#N)CC2=O)cc1 1851054817 QHKGWEDBUKARLQ-GOSISDBHSA-N 403.442 1.805 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)CCS(=O)(=O)c3ccc(F)cc3)CO2)nc1 1852080906 XYJFFCOODPZSPF-HNNXBMFYSA-N 405.407 1.620 30 10 HDEE N#Cc1ccc([C@H](CC(=O)OC[C@@H]2CNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1852606107 CWNJFJPKEHIONC-ICSRJNTNSA-N 419.437 1.704 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4cccnc4)C(=O)C3)C2)cc1 1854214524 LWHPFNNYJLFESB-NRFANRHFSA-N 403.486 1.441 30 10 HDEE C#CC[C@H](F)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1854615972 YHUWTZGTUBTNKS-AAEUAGOBSA-N 411.329 1.794 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c(=O)n1 1855009883 KMOQJGJIEIRSOC-MSOLQXFVSA-N 411.506 1.394 30 10 HDEE COCC(=O)N1C[C@H](CN2CCC(COc3ncccc3C#N)CC2)CCC1=O 1855574120 LPBFXWKSFLCLQV-KRWDZBQOSA-N 400.479 1.456 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCCC[C@@H](N(C)CCC#N)C3=O)CC2=O)cc1 1856451658 LIBTZMJBGFHMTM-VQIMIIECSA-N 412.490 1.801 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cnc3ccc(C)cn23)C1=O 1856755820 GJWKDWPTVRXZTD-IRXDYDNUSA-N 409.490 1.493 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)COc2ccccc2F)c2ccccc21 1856920537 LTRUYXIXFSVXPI-UHFFFAOYSA-N 417.418 1.828 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCN3CCOCCC3=O)C(C)(C)C2=O)cc1C#N 1856950835 LQDWBLVSKAMCCW-UHFFFAOYSA-N 412.490 1.179 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1=O 1856987394 DQQGHGBHLDNXOJ-CYBMUJFWSA-N 411.430 1.654 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@H]3Cc4ccccc43)C2=O)CC1 1857069739 YEYWHSUBGFITCG-PMACEKPBSA-N 401.470 1.543 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c(C)c1 1857150478 PQLXJRMDJASKID-IBGZPJMESA-N 404.474 1.527 30 10 HDEE CCN(CCO)C(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928039 NZJLKLCLTSEJMS-KRWDZBQOSA-N 401.488 1.177 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCC(CO)CC2)cc1=O 1870384658 ZXHDINUDIWUMHR-UHFFFAOYSA-N 403.523 1.630 30 10 HDEE CC(=O)NCc1nnc(SCCO)n1/N=C/c1cc(Br)ccc1O 1874436238 RUNAYXHZDNUQPF-REZTVBANSA-N 414.285 1.349 30 10 HDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1882598752 IGGDMENHBCMBCS-HNNXBMFYSA-N 412.402 1.826 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2140653804 ILOPSQUGXUMWFQ-KBPBESRZSA-N 404.558 1.407 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCOCC2)CN1C(=O)OC(C)(C)C 2174785522 ZXHDDDTVCDLDTG-CABCVRRESA-N 401.529 1.872 30 10 HDEE C=CCC1(C(=O)N2C[C@H](C)[C@@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2181118459 ACUAJPIBYNLJCK-UONOGXRCSA-N 401.529 1.183 30 10 HDEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(S(C)(=O)=O)C1 2235499931 DROSYIJMDADNJY-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243419055 QLYWGKOALAIKLD-UHFFFAOYSA-N 406.292 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2243436996 QHIBFILWIQJUQB-RYUDHWBXSA-N 409.292 1.060 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CO1 2243675172 SNRGDUHJNVCRGL-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE C[C@@H]1[C@H](N)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355945 IZPAVDFTDLQJJR-MWLCHTKSSA-N 406.766 1.811 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C[S@@](C)=O 2267357247 VWIJQWAOIONBLR-VKTRGTBVSA-N 407.388 1.401 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2269036338 KONROLSKQVMREM-SECBINFHSA-N 407.706 1.548 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281805946 FQJRVFFTZCEPGP-WDEREUQCSA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)C[C@@H]3CO)sc2Cl)OC1(C)C 2281970417 QUINOYXEVGJRRJ-GHMZBOCLSA-N 401.721 1.659 30 10 HDEE Cc1nc(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282025429 OKVXRCVXDYOUPC-UWVGGRQHSA-N 402.347 1.302 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282320719 MMGXKGKZJIONDO-RUZDIDTESA-N 420.387 1.114 30 10 HDEE CC[C@H]1CNCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331534 OVDWYBPDOODCSB-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CN(C1CCC(N)CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337806 NMKLFWYGKMNBJY-UHFFFAOYSA-N 400.375 1.938 30 10 HDEE CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340250 CWICFOWHPYXTJF-NSHDSACASA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CC[C@@H](N)C2)OC1(C)C 2282416934 CRGCNOBZPOLPKO-GXTWGEPZSA-N 400.375 1.594 30 10 HDEE CN(C[C@H]1CCCN1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282417072 FFISYQHNIMVADR-CQSZACIVSA-N 400.375 1.561 30 10 HDEE C[C@H]1CO[C@H](CO)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282623686 HJWUHCFSOSDING-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282675874 CWKBDSIXLFYXHR-RHSMWYFYSA-N 402.300 1.994 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CCC(=O)N3)cc2Cl)OC1(C)C 2282845416 SJBMIJFCXZDWJQ-SECBINFHSA-N 420.749 1.258 30 10 HDEE C[C@H](CO)CC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848754 RHCPMGKBDHPYTF-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE C[C@@H]1CN(C)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851141 YHEFKDOLDUJBOW-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC(C)N(C)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883263 XZAOIQHPYFUEPR-UHFFFAOYSA-N 402.391 1.807 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284400747 XUAWKWZRYKDITP-UHFFFAOYSA-N 423.749 1.656 30 10 HDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SC)cc(Br)c1O 2330710854 XNILLDASSAJIMO-UHFFFAOYSA-N 414.285 1.995 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccnc1 2330785677 LMJVUQLXHDYQLL-UHFFFAOYSA-N 417.539 1.932 30 10 HDEE COC[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCCCN1C(=O)OC(C)(C)C 2367799306 ZOYZEFRHZJMZGT-KXBFYZLASA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 2367830312 HYQSGZJWBYLJGL-CVEARBPZSA-N 400.541 1.163 30 10 HDEE CCn1ncc(I)c1NS(=O)(=O)c1cccnc1C#N 2382020325 MFWIWXQHQAJNIY-UHFFFAOYSA-N 403.205 1.575 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)c1 20293148 BSYUEYBJBNEBRP-QGMBQPNBSA-N 404.481 1.634 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccco1 102548588 AWMHTYCXLRUADA-CFBLSMTOSA-N 402.359 1.618 30 10 HDEE Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1C1=N/C(=C2\C=C(O)C(=O)C([N+](=O)[O-])=C2)ON1 136854945 HVGGGVAREUUJQV-VIZOYTHASA-N 413.173 1.922 30 10 HDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 409495833 PQUXGCZKYQOMAB-UHFFFAOYSA-N 419.425 1.883 30 10 HDEE C[C@H](C(=O)NCc1cc(C(F)(F)F)ccc1N1CCN(C)CC1)n1cnc(C#N)n1 409730469 IEYWHQFBAGQUSJ-CYBMUJFWSA-N 421.427 1.798 30 10 HDEE N#Cc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)c(Cl)c1 430363540 VWJYBGWXBLFQMV-UHFFFAOYSA-N 400.807 1.875 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466101309 HOXZXQIHADSNAA-GOSISDBHSA-N 413.522 1.665 30 10 HDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 466658859 REKNBEZPIZYBDI-UHFFFAOYSA-N 419.445 1.452 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](c4cccs4)C3)CC2)o1 472832640 RXUSFLATCMCUCR-MRXNPFEDSA-N 401.492 1.638 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 474052306 FDRJDTFQFINBBF-ZWKOTPCHSA-N 406.442 1.798 30 10 HDEE CCCS(=O)(=O)N1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481058556 XXRXNFLBKXFFNR-UHFFFAOYSA-N 403.501 1.321 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 489199773 DOGXHILRGORVKS-ZVDOUQERSA-N 417.469 1.390 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCOC[C@H]2c2noc(COC)n2)cc1 500738554 WVRDFSYLIOGAEU-HNNXBMFYSA-N 401.423 1.737 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 514678976 CBDVPYKEBMUJJU-UHFFFAOYSA-N 412.538 1.977 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 517764507 YKBZYSVKGMLYRK-IEBWSBKVSA-N 422.522 1.809 30 10 HDEE C[C@@H](c1nc(N)nc(=Nc2ccccc2)[nH]1)N1CCN(c2ncccc2C#N)CC1 532902178 YLXROHLJDQLQHH-HNNXBMFYSA-N 401.478 1.769 30 10 HDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 536422505 UVSKUYYGRPTEKA-QGZVFWFLSA-N 422.489 1.817 30 10 HDEE CCC(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 540548121 CIJRQWMPRZPDQG-IAGOWNOFSA-N 403.552 1.448 30 10 HDEE COC(=O)c1ccc(OCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546926337 WKJVHPMWOHVRCR-UHFFFAOYSA-N 409.446 1.650 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 557979711 JMFBNXPTOKKZAU-ROUUACIJSA-N 418.453 1.324 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 558980545 HNRYXSXWJAVGQU-HZPDHXFCSA-N 420.539 1.907 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Oc1ccc(Br)cc1 560843330 JEWHETJKWAPGHY-GXFFZTMASA-N 422.239 1.210 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCCCC#N 573282929 VAFIBRWDMYBMIE-UHFFFAOYSA-N 408.524 1.445 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCO2)CC1 579864193 SCTWBOASJBKJNN-LJQANCHMSA-N 410.522 1.548 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)s3)c(C(=O)O)c2)CC1 584698985 RKLRGIBIRQGREV-UHFFFAOYSA-N 406.489 1.871 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C(F)(F)F)OC[C@H]2C)cc1S(=O)(=O)NCC#N 587425846 VATYWTITMHZNMZ-BXUZGUMPSA-N 405.398 1.589 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 609287382 GTWXMCQLNCKJTJ-GBESFXJTSA-N 417.531 1.626 30 10 HDEE C[C@H]1CCC[C@@H](OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609575870 KJVBWDOZNDTECA-FUHWJXTLSA-N 405.520 1.986 30 10 HDEE CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc21 610377408 QKHALSKEWBKONW-UHFFFAOYSA-N 407.405 1.653 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670196306 HYUBPFPPKHWNMG-UHFFFAOYSA-N 409.498 1.688 30 10 HDEE C#CCN(C1CCNCC1)S(=O)(=O)c1ccc(I)cc1 710160046 QNXNILRJDGZYNT-UHFFFAOYSA-N 404.273 1.667 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730142791 PHFCZHOGLXXQPM-QGZVFWFLSA-N 406.552 1.949 30 10 HDEE COc1ccc2c(c1)CCC[C@@H]2CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732911288 ZCDUWYGGPCXZLC-CRAIPNDOSA-N 404.488 1.471 30 10 HDEE C#CCOc1ccccc1CNC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 734133127 AVQSUTQEBMDGNS-JOCHJYFZSA-N 417.465 1.791 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735226012 QINRDAXDDDFRMM-QGZVFWFLSA-N 416.503 1.438 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2n[nH]cc2C1 743901288 CPUCRPWUQNGOPZ-INIZCTEOSA-N 401.492 1.448 30 10 HDEE C[C@@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)N(CCC#N)c1ccc(F)cc1 745044203 FXTQVYPZURWRPS-GFCCVEGCSA-N 404.398 1.334 30 10 HDEE C[C@H](OC(=O)[C@H](NC(=O)C(C)(C)C)[C@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745700545 BISUPCZOMXVZSN-ZIBATOQPSA-N 421.519 1.890 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2ccnc(C#N)c2)cc1 746977377 QBRGIELNPWUSIJ-UHFFFAOYSA-N 402.432 1.323 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3C#N)c2=O)cn1 748063040 BMJXXIGPDSSVNN-UHFFFAOYSA-N 415.478 1.376 30 10 HDEE COC(=O)[C@H](Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1 762542944 CPLUMIYFEGIEOM-STXHMFSFSA-N 411.462 1.717 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCCN(C)C(=O)OC(C)(C)C 766351636 DJCZQPDLTCDSIM-ZDUSSCGKSA-N 411.480 1.635 30 10 HDEE O=C(CCN1CCCS1(=O)=O)OCCC#Cc1ccc(CN2CCOCC2)cc1 770860664 RSAQUBRVUSVAMU-UHFFFAOYSA-N 420.531 1.229 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@H]1CCS(=O)(=O)C1 774265261 XWXQQXQPJKTPBD-GOEBONIOSA-N 407.467 1.153 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(Cl)nc3)c2=O)c1 776755920 IXSVHQCOPQIRDM-UHFFFAOYSA-N 409.858 1.686 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(Cc3ccc(F)cc3)c2C)n1 788814514 ZAABRKCZWXTFHG-UHFFFAOYSA-N 410.453 1.892 30 10 HDEE C[C@@H]1OCC[C@@]1(O)CN(Cc1ccccc1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 791184503 MOPWODZLCGKSQH-OKLKKJTJSA-N 413.474 1.472 30 10 HDEE COCCCN=c1scc(-c2cnnn2C)n1N=Cc1cc(OC)cc(C)n1 794841960 YXQTUOGGUSOYCG-UHFFFAOYSA-N 401.496 1.877 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN(CCC#N)CCN2CCOCC2)CC1 795927869 PCWBQTXURUGQRT-UHFFFAOYSA-N 423.558 1.004 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)C2=O)CC1 799129433 QFOJOGWAEOAANE-CAPQDWSZSA-N 420.517 1.779 30 10 HDEE CCN(CCC#N)S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 800098274 BRDWXDROYIMHNX-UHFFFAOYSA-N 405.568 1.789 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 805973016 FWAGMPPBTLYHCL-APWZRJJASA-N 403.479 1.342 30 10 HDEE CCOC(=O)N1CCN(S(=O)(=O)N(C)CCOCc2ccc(C#N)cc2)CC1 808339002 PKTPPBLIQWFQHJ-UHFFFAOYSA-N 410.496 1.026 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@H]2[C@H]3OCCC[C@@H]32)cc1Br 809124999 WXDZUQUDNICWRI-WQHBLYJGSA-N 403.229 1.690 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 809918705 LLUVVOJWCUSIKT-INIZCTEOSA-N 407.496 1.139 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 810452204 HQHPEZPYLOCOIW-OAHLLOKOSA-N 422.507 1.352 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)c2cccc(COC3CCOCC3)c2)c1 813981527 DIFQEQYVFTUDOH-UHFFFAOYSA-N 401.444 1.768 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1nccs1)C(F)(F)F)c1cc[nH]n1 818322792 ULAQJWNBPKCLAX-LLVKDONJSA-N 405.358 1.570 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856613041 VZUZQXAGUXSOKH-MRUHUIDDSA-N 400.479 1.625 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1129749004 YGNIZYFAIWVPGS-KDOFPFPSSA-N 420.263 1.077 30 10 HDEE C#CCn1cc(CNC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1139861654 YWYZNYYDLURJPC-UHFFFAOYSA-N 413.482 1.610 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2NC(=O)C[C@]23CCN(C(=O)OC(C)(C)C)C3)c1 1146569775 HPPLYIPDBPUGBO-NRFANRHFSA-N 413.478 1.881 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CNC(=O)NC)C1 1147719823 FEFVDJDKGDNGFR-QWHCGFSZSA-N 404.895 1.179 30 10 HDEE CN(CCNC(=O)C1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1)Cc1ccccc1 1148288616 SVNPZWCETRWAKN-QHCPKHFHSA-N 412.534 1.794 30 10 HDEE C#CCOCCN(C)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1160098036 UOXLWPYRXDWDJK-INIZCTEOSA-N 405.499 1.962 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NOc3cccc(C#N)c3)CC2)c1 1171256351 VQMLCIALUQDCCX-UHFFFAOYSA-N 414.487 1.429 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1171919973 QVDKOGFNYNVEAZ-IBGZPJMESA-N 408.455 1.448 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(C)C)n(-c3ccccc3)n2)CC1 1175515266 VDHXXEZXWCQPSP-UHFFFAOYSA-N 415.519 1.221 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCC#C[C@H]1CCCCO1 1180363269 RVJNNTSANCAJEK-IAGOWNOFSA-N 407.511 1.581 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1cc(C#N)ccc1F)[C@@H](C)C(=O)Nc1ncccc1O 1213424185 GMCRJWQCDCMOHY-VXGBXAGGSA-N 406.439 1.881 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1213706616 OHZATWXPFJEFOS-LLVKDONJSA-N 408.448 1.693 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc1 1214815669 YMJZOYZKPJUVBY-INIZCTEOSA-N 406.483 1.952 30 10 HDEE Cn1cc(CNC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c(-c2ccc(C#N)cc2)n1 1226083771 SMPOGBFMVDJYSY-AYHJJNSGSA-N 413.503 1.866 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)C1CCOCC1 1231331311 JMOQUPJUPHYELL-GOSISDBHSA-N 414.572 1.109 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cc1 1271195626 XVENQHILIFFREU-IBGZPJMESA-N 408.520 1.601 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2Cc3cccc(C#N)c3C2)C1=O 1277893384 FOQCTJMIOKZRQF-JOCHJYFZSA-N 404.426 1.876 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286311347 HGESRFQOBDOZRI-FQEVSTJZSA-N 400.483 1.349 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1286323175 IXBNQDSQDLDDTC-QGZVFWFLSA-N 421.567 1.795 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286349870 PYJKDSVMWPJCSI-DLBZAZTESA-N 422.551 1.368 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1286360935 KVNXVHSSRVOPHA-RHSMWYFYSA-N 422.530 1.400 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCS(=O)(=O)NC 1286366216 YCWZBABUPKBGOP-UHFFFAOYSA-N 412.313 1.326 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1286384862 JYSFKUJVULONCH-NVXWUHKLSA-N 422.507 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC[S@](=O)CC 1286429697 HOEPMZGZBOSJJM-GDLZYMKVSA-N 408.531 1.748 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCC(=O)N(C)C)CC1 1286490947 YDKOMRWTWUIRQR-UHFFFAOYSA-N 400.527 1.380 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1286505905 NHVDKKMRQNZPJC-UHFFFAOYSA-N 420.560 1.479 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1286512689 MNTIWGHUQBBMST-QGZVFWFLSA-N 421.567 1.475 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2cc[nH]n2)C1 1286812676 RUJJXNRJCOXUKD-QGZVFWFLSA-N 422.493 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(CC)Cc1cnn(C)c1 1286818868 QTTGNTDRXORKOM-UHFFFAOYSA-N 418.527 1.039 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1291295721 CFKOPRRPJGVGQA-CRAIPNDOSA-N 415.519 1.724 30 10 HDEE CCN(CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CCC(F)(F)F 1296309405 CGNUJHPCLDRHLU-UHFFFAOYSA-N 405.442 1.864 30 10 HDEE C=C(CN(C)C)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1296886948 ZYUNYPZEODYFPR-AWEZNQCLSA-N 408.465 1.704 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1300267136 FITBDLCNQJIQJM-CQSZACIVSA-N 418.523 1.597 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1300267556 HIDDJTCYPUMEDF-HNNXBMFYSA-N 417.473 1.725 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3c(CC4CC4)nnc3C2)c1 1300316611 ZXFBYFWQJXVGDO-UHFFFAOYSA-N 403.439 1.323 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](SC)C(C)(C)C 1300509443 LNJQULFUPMVGMS-LSDHHAIUSA-N 411.597 1.739 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1300619183 UCTAROBICNYODX-UHFFFAOYSA-N 400.508 1.825 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCC1 1300655199 RYSCSYVASDZXDT-UHFFFAOYSA-N 422.493 1.312 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300760446 BLVWROZRYQZVHA-HUUCEWRRSA-N 400.570 1.408 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300845036 UCLVSDJGDFKNMM-CXAGYDPISA-N 410.316 1.940 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1300874753 NSUBFEDTXKEUDD-AEFFLSMTSA-N 418.542 1.456 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301221685 NIWLNUSRQHQTMO-RLLQIKCJSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)[C@@H]1CCOC1 1301478352 JODNXCGHKLGHOR-QGZVFWFLSA-N 412.494 1.675 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@](C)(CC)C1 1301585894 GQLQARQJCHVTTM-FQEVSTJZSA-N 419.551 1.870 30 10 HDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1304652831 XFAIDGRNMKCJRY-HNNXBMFYSA-N 415.471 1.016 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1306478624 BVKFJRKHFSCZAX-GILVVUIESA-N 404.540 1.323 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)CC1 1307774858 GXKVYDBZJHYKDB-UHFFFAOYSA-N 406.870 1.482 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1314920886 SWZXVRXCQYWMFZ-SFTDATJTSA-N 423.452 1.649 30 10 HDEE CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1315182772 PDYJUJWRZQTMKV-UEKVPHQBSA-N 404.368 1.639 30 10 HDEE COC(=O)[C@@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1329708321 CFTJDBQNJJKYDS-KBPBESRZSA-N 406.489 1.595 30 10 HDEE CC(=O)N[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)(C)C 1354285486 JTZBRVOKEDKHEX-FIOICXDGSA-N 408.524 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1358979557 QJAUYIJDUFUBTQ-IAGOWNOFSA-N 417.510 1.694 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2COc3ccccc32)CC1 1359047836 VJIPFDSOONZGFO-SFHVURJKSA-N 423.517 1.957 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC(C)(C)C1 1359052504 HPIQJJSDLVLVOY-UHFFFAOYSA-N 424.534 1.902 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359069825 ZKZULNPVYAWIPY-JOCHJYFZSA-N 406.490 1.411 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359131446 UESRTOKWOLCQBW-UZLBHIALSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359298989 QXXBKNVPWWJXSW-IBGZPJMESA-N 410.522 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359334668 NLYDIOHYUONCNS-HNNXBMFYSA-N 422.511 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1359335639 QJVCQNZNYUMEKM-QFBILLFUSA-N 412.556 1.767 30 10 HDEE CC(C)c1nnc(N2CCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1359718753 QHUQQDZHXIBAIT-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCSC1 1360474204 JGRVOYWOAVWZKQ-XIKOKIGWSA-N 404.496 1.612 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1453594195 HCWAUWFGSFYTPH-QFIPXVFZSA-N 417.506 1.458 30 10 HDEE N#Cc1cn(CCC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c(=O)nc1O 1464456022 BJWAYPRXDJRZPV-UHFFFAOYSA-N 424.457 1.958 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2SC)CC1 1467814145 HTHQYWWPIVLDQP-UHFFFAOYSA-N 410.337 1.678 30 10 HDEE CC(C)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1469518059 BGPNUEFBYPYZJW-HNNXBMFYSA-N 423.535 1.845 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1469917667 RUPLMPGZPPBCGJ-ZDUSSCGKSA-N 405.879 1.485 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1 1471758758 QNANZGNGJMPJKX-JHNDHUHGSA-N 421.519 1.204 30 10 HDEE COc1ccc(C2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)nc1 1473609730 HVDQZBPKAGDNIE-UHFFFAOYSA-N 424.505 1.787 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1503366555 BOSCQUUGLBGYFR-CVEARBPZSA-N 410.434 1.409 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1507515808 ZVIBKKGAWADDCC-OAHLLOKOSA-N 404.478 1.893 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1507568876 YMHJYUAPWSJIND-UHFFFAOYSA-N 416.551 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1507711383 ASZLRYVDSCBVOC-OAQYLSRUSA-N 421.611 1.771 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)CC1 1507720018 GPKJRIUSNBZAGE-UHFFFAOYSA-N 414.466 1.008 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507804584 GYLSFEFBINYQPL-AOIWGVFYSA-N 423.583 1.730 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1507981319 HPUAZDUFXUKDBU-RTBURBONSA-N 410.522 1.925 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2c(CC)nn(C)c2OC)C1 1508117078 KPVLFCORIHQESE-HNNXBMFYSA-N 424.509 1.869 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1508121330 DDGZMMUUMVOANL-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CCC)C1 1508137432 NFLXRGOELITOEC-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE Cc1noc(C)c1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1511925235 DOFZSKMGVBHPPX-UHFFFAOYSA-N 421.461 1.513 30 10 HDEE CC[C@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(C#N)o1 1512932974 HDLGCLIODOVPBG-ZDUSSCGKSA-N 411.466 1.825 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1515651229 SRSVYLSBKOEASA-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCOCCCO)C1 1521069270 HLYDZVLDKZCTDN-LJQANCHMSA-N 407.421 1.837 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1521627846 DSSVUXCXSHPKNG-LJQANCHMSA-N 408.520 1.447 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(C)(C)n2cc(NC(=O)OC(C)(C)C)cn2)CC1 1524011590 XEGRRLSOXALJJH-UHFFFAOYSA-N 417.510 1.953 30 10 HDEE CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@H](C)C#N 1530026902 RTLFXZSTJIRBKO-PIGZYNQJSA-N 407.268 1.977 30 10 HDEE C=CCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1530304329 XEFIJIPNODQZCA-CABCVRRESA-N 404.529 1.506 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1F 1532433857 BMWCGHGLUQWFHV-QGZVFWFLSA-N 413.471 1.256 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2=O)cc1 1533559145 CCMKMXKEGVGYDJ-KRWDZBQOSA-N 403.442 1.757 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1533968324 OLGPEQNXYRCPGS-QGZVFWFLSA-N 403.504 1.025 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C1CCN(C)CC1 1536123502 NTINIWUCCYYTHQ-NRFANRHFSA-N 400.454 1.149 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1539176931 WGKDBZNMNPQERD-HNNXBMFYSA-N 414.514 1.639 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539222108 TUJJIEIBBHFEON-QZTJIDSGSA-N 415.519 1.160 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1540876140 IOFNHWMRJLLOBZ-IIBYNOLFSA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(Cn2cncn2)CC1 1540902481 KRQGVKXKCYUMSW-UHFFFAOYSA-N 419.555 1.655 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1541104866 BOEJCICNLNCUGE-NEPJUHHUSA-N 412.466 1.811 30 10 HDEE CC(C)N1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1543736323 OHFCJPKUTQNOEU-KXSVDRQTSA-N 404.511 1.899 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1555717018 ZINHOJGFTNMCFH-QFIPXVFZSA-N 424.505 1.729 30 10 HDEE Cn1c(=O)nc(O)c2c(C(=O)NCc3cc(F)c(C#N)c(F)c3)cc(C3CC3)nc21 1556317818 NZCLDBNFFGOIII-UHFFFAOYSA-N 411.368 1.991 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)CCCCNC(=O)OC(C)(C)C)C1=O 1556844859 ILHCRLAOGDZMTN-ZDUSSCGKSA-N 410.471 1.163 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](CO)c2cccc(Cl)c2Cl)C1=O 1557389460 FRPZZJDLKRDJNT-GFCCVEGCSA-N 414.245 1.462 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCOCC1 1557577577 HODKXPMAGIAYGR-AWEZNQCLSA-N 401.282 1.255 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1557941946 XWQNXEQTNNKDNS-MGPUTAFESA-N 408.474 1.161 30 10 HDEE CCOC(=O)/C=C\c1ccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)cc1 1558052320 ADGOIPLMDOCUFV-ORNWKGSBSA-N 414.418 1.909 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C1 1564417229 PRLGGLFDLMMZMU-CABCVRRESA-N 401.529 1.486 30 10 HDEE Cn1ccnc1[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(C)(C)CO 1564530617 GEFDDRGVFARWSY-KFWWJZLASA-N 420.514 1.538 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)o1)S(C)(=O)=O 1568585443 PAAALPHPXAHXRQ-UHFFFAOYSA-N 418.475 1.905 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C)C[C@H](C(=O)OC)C3)n[nH]2)c1C 1570404586 BNCTTYYNYZHAEW-HNNXBMFYSA-N 400.483 1.253 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cccc(C#CCO)c3)c2)CC1 1583219775 WUXRIPLUUJFJFX-UHFFFAOYSA-N 413.499 1.219 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1583661263 BLMUIMIFKHODCX-FUHWJXTLSA-N 415.490 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1587568415 PZCQDCXSRQWOML-HRAATJIYSA-N 419.526 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1587656238 GUDYRIRADUOUSH-KRWDZBQOSA-N 411.506 1.389 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1587932022 JHZIIAAINNEXAO-HNNXBMFYSA-N 409.487 1.249 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1588138615 GSJFYRHMLIOULQ-QGZVFWFLSA-N 419.551 1.120 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C)nc2)CC1 1588877000 QWNLRNDSVDZUSF-PMACEKPBSA-N 410.522 1.509 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)CC1 1593757685 MQYONVHCSGQRHE-UHFFFAOYSA-N 414.535 1.678 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCC2(CC1)OCCO2 1595530284 ZKZYITKZXVWGSM-UHFFFAOYSA-N 415.498 1.103 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CC)C1 1595551289 NNRVBVZXHHRBFY-QAPCUYQASA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](COCC)C1 1595569989 TVAHZNFUQWEMBM-QGZVFWFLSA-N 401.515 1.305 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc2ncc(Br)cn2n1 1596375120 ACOHAMXMMNBFMW-UHFFFAOYSA-N 403.244 1.374 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1596695467 BONWYRKSXIEXMS-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1596696152 SCGHUJUBLTUXLJ-PMACEKPBSA-N 424.505 1.727 30 10 HDEE Cn1ccnc1[C@](O)(CCNC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F 1597122178 NMLQBJGKZWGAHQ-GFCCVEGCSA-N 409.302 1.983 30 10 HDEE CN1C[C@]23CCCC[C@@]2(C1)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C3 1607912378 FGBICEGRMQRRLS-OYRHEFFESA-N 401.532 1.807 30 10 HDEE COCCNc1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1 1611246016 UBRDNUFNLIVOKD-TZMCWYRMSA-N 409.512 1.619 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(N(C)[C@@H]3CCC[C@H]3C#N)c([N+](=O)[O-])c2)CC1 1612730955 KIXKRAYMSBWQQI-GOEBONIOSA-N 407.496 1.659 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1613004000 DLXLVWBUOFUIRD-OAHLLOKOSA-N 416.507 1.077 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1613615656 BHDNVYSCCNHYKS-HOTGVXAUSA-N 419.507 1.502 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)C[C@H]1CS(=O)(=O)C2 1616328138 FCAZRNQFNJVJHH-SCLBCKFNSA-N 407.879 1.477 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1618445672 BGYJGNIVSCJDDO-SFHVURJKSA-N 405.520 1.524 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CC(F)(F)F)C2 1620349377 LDLLOSTULBBNJC-UHFFFAOYSA-N 402.340 1.832 30 10 HDEE CN(C)C(=O)COC1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1621472106 YQGBQGIXFNRWFV-UHFFFAOYSA-N 421.295 1.073 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2(O)CN(C(=O)OC(C)(C)C)C2)C1 1627790705 RIVAATGIEUYMPY-KRWDZBQOSA-N 400.479 1.577 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@H](C)O1 1628411318 CPUJJGNXPBLHJB-MXGBJXMGSA-N 421.494 1.562 30 10 HDEE C#CCN(CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC)C(=O)OC(C)(C)C 1628543555 YJPHWCKKXNKJRO-SFHVURJKSA-N 412.490 1.812 30 10 HDEE CN(C)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1628886931 CFMRLWMAOLDVRR-WUZYXKQASA-N 419.570 1.479 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(NS(C)(=O)=O)c1 1629195442 QIPZBWRACRCWHF-MRXNPFEDSA-N 409.508 1.981 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268351 GFZVQNWYFYQOKF-UHFFFAOYSA-N 413.503 1.474 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@](C)(C#N)C2CCCCC2)cc1 1629384855 FCELWABWJGKLNO-IBGZPJMESA-N 406.508 1.902 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1630127637 KMBCOHQTKRKIIT-XQAQDONZSA-N 417.307 1.882 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21 1632880733 YITUTOFWJOEYEF-MIONNMTNSA-N 416.275 1.977 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCc3cccc(N4CCCS4(=O)=O)c3)CC2)C1 1634010860 NZLXLTCDFICUGB-UHFFFAOYSA-N 419.503 1.774 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)OC 1634058955 UDWISDSZVZMJOP-WMZOPIPTSA-N 404.463 1.164 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1634076615 QQXJIDJSOIXGDX-KURKYZTESA-N 415.490 1.604 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)C(=O)OCC 1636837783 JFIFVNAIWBMKAC-BHYGNILZSA-N 412.508 1.037 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2(C(=O)OC)CCC2)CC1 1637380318 FAIANWGFQGQGAE-MRXNPFEDSA-N 422.522 1.990 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1)C(=O)OC(C)(C)C 1637609747 UDNXRTWGDWSYMC-KURKYZTESA-N 421.538 1.515 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)c1 1637788592 CLGNKOKDBRPICM-IBGZPJMESA-N 421.563 1.306 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1OC 1639638402 UMRBJVQNJVIVHF-HXUWFJFHSA-N 409.442 1.905 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)CCC2)cc1 1640134927 SHBBIFPADXSSED-FQEVSTJZSA-N 410.518 1.767 30 10 HDEE C[C@H](Sc1nc2ccccc2s1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1641970175 APWPZULVLIQADW-JTQLQIEISA-N 401.473 1.727 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)ccc1Cl 1643822140 BJKWURPGBZPIOA-OAHLLOKOSA-N 412.943 1.861 30 10 HDEE C=CCCC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC 1644819428 JBRYACWBQLGKAE-HNNXBMFYSA-N 411.476 1.636 30 10 HDEE CCO[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CN(C)C 1645024413 BTGJAZKNQRAODF-NHUHVJRWSA-N 408.543 1.856 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOc3ccccc3[C@@H]2CO)c1 1645279203 LEOSDNRGCPRIMH-KRWDZBQOSA-N 404.419 1.691 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 1645300936 HNHAACDFMHGVKM-FUHWJXTLSA-N 421.519 1.868 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](N4CCCC4)C[C@@H]3C(C)C)CC2)o1 1648594218 LOEOQIXSZBVEEQ-AZUAARDMSA-N 414.554 1.698 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1652703365 WXSGKLYIBIHTMS-QRWLVFNGSA-N 406.483 1.956 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2c(Br)cc(C)cc2Br)C1 1665967548 CAQVPWKJCKLKSW-UHFFFAOYSA-N 409.099 1.889 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](O)c2c(C)nn(C)c2C)cc1 1665968826 HILPXCAFBFDDSW-QGZVFWFLSA-N 421.523 1.699 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C(=O)OC)CC1 1666110811 OMOWUYFNFQGARA-UHFFFAOYSA-N 414.524 1.604 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cs1 1668999292 CNJWGSFIIQLFQD-UHFFFAOYSA-N 406.555 1.028 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@](C)(O)c1ccccc1Br 1670882166 FIZHBTYLEORUJA-HNNXBMFYSA-N 405.314 1.557 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CC1 1676462957 OWPRYBPCYNJEQE-UHFFFAOYSA-N 415.475 1.660 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCOCC1 1682889038 XYGQIMUTBZTMEK-LJQANCHMSA-N 402.470 1.520 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)nc1 1687213410 CVAUCOMKSBQDNG-WMZOPIPTSA-N 412.494 1.319 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CC)nc1C 1690033355 VUACWDIMQNPRTB-OAHLLOKOSA-N 418.523 1.258 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC(F)F)c1 1690046104 XKTVMJCDDJAXEL-OAHLLOKOSA-N 414.416 1.737 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](OC)[C@H](OC)C1 1690166077 UDHQFCUDMHUASE-HDICACEKSA-N 416.503 1.890 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1690569367 GONOUGVYVHMLIY-INIZCTEOSA-N 410.457 1.738 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690669445 FSGSNCQWICHTDU-OAHLLOKOSA-N 412.498 1.081 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCSC2)cs1 1693362769 WYEATVGMPXMPSG-RHSMWYFYSA-N 406.537 1.231 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1694781320 PWDILQHBHAWYRD-SFHVURJKSA-N 423.521 1.694 30 10 HDEE CCN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1695566169 FVVZQYCVXDNDIJ-HNENSFHCSA-N 415.498 1.162 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1696437280 BBYCJZWSHLYKFX-KRWDZBQOSA-N 412.494 1.728 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1696518278 UQZCXYYLFIARPO-HPGBDJQBSA-N 408.459 1.216 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1698004840 DJKJHSJMENGZJM-QGZVFWFLSA-N 419.507 1.389 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCC(F)(F)C1 1698520413 JQVRDGULAWGXAA-ICFOKQHNSA-N 415.404 1.712 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1705482190 UPKUQGXWBJJBBL-OAHLLOKOSA-N 403.508 1.447 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705540241 RCYRSMKAKWLNCO-IBGZPJMESA-N 423.565 1.696 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1705556199 CHSHZIZSWAZDBE-UHFFFAOYSA-N 415.519 1.116 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)COCCO1 1705559284 WJTLPJNBOCGKIH-VWKPWSFCSA-N 419.526 1.924 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705572046 PISNHCZTXQLFBV-XDNAFOTISA-N 424.567 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1705598671 OPVOAWXBSDSLHD-SECOEOQKSA-N 405.524 1.040 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705752648 BWWQHNYCEKUAIV-LSDHHAIUSA-N 405.890 1.776 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705817188 DURMEQFPMDLMDU-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705831838 DZVWSPWYILSRLD-UHFFFAOYSA-N 402.499 1.344 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@H](C)CC 1705844040 UTIBLNURNZVZKJ-VKJFTORMSA-N 415.560 1.030 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705936238 MJAUGZRSNYCFTG-LJQANCHMSA-N 407.540 1.253 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1710456749 FXCZHGFDBHCYTP-CWFSZBLJSA-N 422.505 1.677 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710463539 GOPGLAHYCPLCDQ-JLTOFOAXSA-N 414.466 1.145 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(CC)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1710481996 YVWVAVIULDPCLQ-HRAATJIYSA-N 414.510 1.974 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(N(C)C)CCOCC1 1712522462 WHXGMYQRPJOLPI-QGZVFWFLSA-N 420.558 1.853 30 10 HDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1712608594 PAGRWULAHXTKBQ-UHFFFAOYSA-N 417.535 1.829 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC1CC1 1722384399 VBXFTLAUPTYJEV-UHFFFAOYSA-N 414.506 1.906 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCC1 1722400975 HIQWKJKYPYTHFD-UHFFFAOYSA-N 410.547 1.828 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722630438 FIZIECVKKHAZPS-SCTDSRPQSA-N 419.526 1.406 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1722680079 WBWQZLPYQXHXCH-QGZVFWFLSA-N 418.542 1.659 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC(C)(C)C)C1 1722717447 AXJKOYLBEOGHEK-CVEARBPZSA-N 412.556 1.777 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)cs1 1725220255 ANCPPFGZSCNKGS-LBPRGKRZSA-N 413.511 1.383 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730984323 AXISWLKBWKBXAL-UHHPSXQGSA-N 409.450 1.092 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1740625868 IODCDCXTBPZYOL-QGZVFWFLSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)N[C@@H](C)CC)CC1 1740697690 COBIZADFFMSBMJ-KRWDZBQOSA-N 414.579 1.990 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccco2)CC1 1740697707 DCZJJBDSSDAKSR-JOCHJYFZSA-N 406.490 1.520 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1740898923 AOSFFUOOMVQAAP-QGZVFWFLSA-N 402.520 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1740987523 VVVFYVNOZXRKOF-OAHLLOKOSA-N 413.544 1.538 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740990368 SCYFLHGGGWALKG-MRXNPFEDSA-N 420.539 1.227 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)cc1 1742284829 WUCCSLVWHXYJHO-SFHVURJKSA-N 401.467 1.293 30 10 HDEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1743857839 FCFPNGYUCQWXQY-QFBILLFUSA-N 422.537 1.761 30 10 HDEE CCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1747352159 KTQUGMBXRCSGDC-INIZCTEOSA-N 418.885 1.627 30 10 HDEE CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1747541850 YWADAMLDADIABJ-AEFFLSMTSA-N 404.478 1.510 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747839084 CDXWQGSUHMOVLY-ZBFHGGJFSA-N 419.507 1.698 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1748686133 JMYRHYFJUIADLD-QYWGDWMGSA-N 400.479 1.864 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748930778 YGTBTEUYIWPNNJ-QGZVFWFLSA-N 419.526 1.749 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCC(=O)N(C)C)CC1 1748994601 KUBDVWHFWTUYNH-UHFFFAOYSA-N 408.550 1.687 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749199185 HWGWEEUZECWXJX-FQEVSTJZSA-N 424.549 1.832 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC(=O)N2)C1 1749715811 WAZGYNHRCWFRQZ-MSOLQXFVSA-N 411.506 1.937 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1749756214 UUQHZLJOYBWLMQ-HOTGVXAUSA-N 414.597 1.961 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CC=CCC2)cc1 1750383294 SEKVKBRTTAMEHT-IBGZPJMESA-N 405.506 1.780 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OCC(F)F)CCO1 1750387920 FAXBHEDNFQQDLE-LSDHHAIUSA-N 420.420 1.946 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1751019056 SKRQGYDGHYOANB-CCKFTAQKSA-N 406.462 1.039 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1760160411 CMGKHBVBKQBBIH-UHFFFAOYSA-N 403.508 1.101 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(OC)nc1OC 1760204675 YTJWRPDHMYBQSF-UHFFFAOYSA-N 402.458 1.797 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(=O)NCCc1ccccc1 1760238428 VNHOSIWYISUPQX-UHFFFAOYSA-N 408.506 1.219 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=C)Br)CC1 1760252652 TXMPKFKHTKXMNQ-UHFFFAOYSA-N 407.316 1.178 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC[C@@H]2CCCCO2)CC1 1760261992 XTLKKZANJRXZNJ-IBGZPJMESA-N 414.554 1.505 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnn(CC)c2)CC1 1760263212 RVKSRTITODTIHB-UHFFFAOYSA-N 410.551 1.654 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1C 1760294826 HGKAAODSQLUXCS-WOCWXWTJSA-N 406.552 1.845 30 10 HDEE C=CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1760430642 PAGLUHRHPQEPQE-OXJNMPFZSA-N 407.515 1.238 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1760495445 ODHXBBXWIQZTTB-DLBZAZTESA-N 423.539 1.482 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)C1 1760517154 FEMKMMUKCNHSQI-AWEZNQCLSA-N 403.508 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(N)=O)nc2)C1 1760540295 FUEWUNSUKHFSAE-INIZCTEOSA-N 405.462 1.664 30 10 HDEE CCCN1CCC(N(C)c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1766107344 SJCZRSIZQJLENW-FMQUCBEESA-N 415.542 1.678 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1766690066 QNVGYUFDSFDKRR-ZWKOTPCHSA-N 406.531 1.607 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1769365818 FVJMEQIXHKDWMV-INIZCTEOSA-N 418.523 1.229 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccnnc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772794008 XMAYHGQNFXQTDZ-HNNXBMFYSA-N 412.402 1.667 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCN(Cc3cnnn3-c3ccccc3)CC2)cc1 1848451967 BKIASAARLQBVSO-UHFFFAOYSA-N 401.474 1.895 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2cnc(C#N)nc2)CC1 1848540901 ORHUMFXRHAPMAD-GOSISDBHSA-N 420.473 1.310 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cn(C)nn2)c2ccc(F)c(F)c2)CC1 1853515787 JUCYQXHTQADRIT-UHFFFAOYSA-N 411.434 2.000 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cc3nc4ccccc4o3)C(=O)C2)cc1 1853861596 SDOUYOWSWOHKTB-UHFFFAOYSA-N 402.410 1.796 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(C[C@H]4CCCO4)C3)CC2=O)cc1 1854186391 ODMFJQJACLSEKG-NHCUHLMSSA-N 410.518 1.415 30 10 HDEE CCn1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)n1 1854259122 VACCULSNMNSZOO-LJQANCHMSA-N 406.490 1.334 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@H]1C 1854822015 WZUOUGUKMYJCBW-HZPDHXFCSA-N 415.490 1.692 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855734214 JQRCJOQQYTXLIT-LLVKDONJSA-N 403.382 1.649 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4cnoc4C)CC3)CC2=O)CC1=O 1856287333 YYPNYAUTFYZKIL-QZTJIDSGSA-N 414.506 1.605 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856532364 UTGHMGOBAWYFQB-SJLPKXTDSA-N 404.474 1.849 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1857032723 JAANHUZXPPDQNR-UONOGXRCSA-N 417.428 1.192 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3cc(Cl)ccn3)C2=O)CC1 1857071149 DSOISHMNADTCFF-QGZVFWFLSA-N 410.865 1.565 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O)n1nc(C2CC2)ccc1=O 1857374812 OCSUIYGVRLUACM-HNNXBMFYSA-N 405.458 1.424 30 10 HDEE CC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccc(C#N)cc1 1867236972 INXBAYRCDGEUPK-KRWDZBQOSA-N 400.460 1.661 30 10 HDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCCCO 1869933432 HDKOQRYRWCWWKR-OAHLLOKOSA-N 413.565 1.516 30 10 HDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)[C@H]1CCCO1 1870112025 MBRXBFXYRLFJGL-CQSZACIVSA-N 400.351 1.090 30 10 HDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1871015803 AMJJNDQUSYMAIC-UHFFFAOYSA-N 417.462 1.797 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1ccccc1C(=O)OC 1872676491 KKJFXNUTVKZHFZ-UHFFFAOYSA-N 400.391 1.688 30 10 HDEE COc1cccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCNC(C)=O)C2=O)c1 1873214132 BYLWPAJWGJRQGE-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cs1 1889605859 UHGMDBHBJRSXEP-OKILXGFUSA-N 410.455 1.321 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 1975561653 SSMMDTUXNQHECF-CABCVRRESA-N 408.304 1.961 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987168831 KIZJQHZOWYSIAA-GJZGRUSLSA-N 423.510 1.486 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1993304326 NGAXEZJMINROGU-CQSZACIVSA-N 424.498 1.187 30 10 HDEE C#CCn1ncc(NC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)c(Br)c1=O 2043963214 PMIXVBLLGOBVCA-GHMZBOCLSA-N 409.284 1.916 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCC1 2054408619 TXXPTDKFWFIWEV-QGZVFWFLSA-N 407.492 1.637 30 10 HDEE CN(CCC#N)C(=O)CCN=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174571462 RTBIKUIITOVQAB-HHHXNRCGSA-N 401.533 1.314 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cscc1C#CCO 2186651249 GOSMLDPCWXZQRF-OAHLLOKOSA-N 406.529 1.888 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCC[C@@H](C=O)C2)S(=O)(=O)C(C)(C)C1 2197734123 IJRGUAATSLDDJV-ZIAGYGMSSA-N 402.513 1.237 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1CC#N)C1CS(=O)(=O)C1 2234013425 CZLUKWNRBYSPMR-NEPJUHHUSA-N 407.439 1.074 30 10 HDEE C[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2243388330 KBVOMHHFWQXTES-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CC[C@@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921674 TWVZYUNOWLVSAC-MRXNPFEDSA-N 414.315 1.528 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2250000572 KNNWTTNDPLGBEX-OAHLLOKOSA-N 422.331 1.936 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2255700555 FDEDUOXAQJYOAZ-DZFIZOCASA-N 420.322 1.636 30 10 HDEE C#CC[C@@H](C)CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258150562 COENUGKWHCDHON-WBVHZDCISA-N 410.492 1.375 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371034 UUYBJFZCAWGHPN-NWDGAFQWSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(O)CCC(=O)O)cc2Cl)OC1(C)C 2269035885 BDCSEXYJRAXGAA-UHFFFAOYSA-N 411.694 1.555 30 10 HDEE C[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281963282 JXXUBPIISPTVNY-MWLCHTKSSA-N 419.761 1.864 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281967621 PZFSEQNEKQETEQ-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE COCC(C)(COC)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339483 VAPWSGIVAJWMNJ-UHFFFAOYSA-N 405.347 1.377 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499111 AGLIVURLFQEPOD-SSINHNECSA-N 405.322 1.170 30 10 HDEE COC[C@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504883 VTIJAJLXMUFOGS-CQSZACIVSA-N 401.359 1.988 30 10 HDEE C[C@H]1CCNC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505989 LUVSCRHBOSIVMS-JSGCOSHPSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NC3CCC4(CC3)OCCO4)c(F)c2)OC1(C)C 2282555545 VAWQXYZQCMMQMP-UHFFFAOYSA-N 406.263 1.935 30 10 HDEE Cc1cc(S(=O)(=O)NOC2CCOCC2)sc1B1OC(C)(C)C(C)(C)O1 2282836680 NOKDXMHEGJVUJN-UHFFFAOYSA-N 403.331 1.745 30 10 HDEE CC(C)(C)[C@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837675 GHSRCISPUCQCBM-LBPRGKRZSA-N 404.363 1.269 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282842469 YTJQCVUOMXTKQX-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@H]1O 2282844843 JMWWJPFVZSGAFH-QWHCGFSZSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CCO)C(F)(F)F)c2)OC1(C)C 2282852644 RWFBQWRDNKIUSB-JTQLQIEISA-N 415.264 1.639 30 10 HDEE CCSC[C@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282859231 JPVNJAJEDFLPCF-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE CN(CC(=O)NCC=CB1OC(C)(C)C(C)(C)O1)S(=O)(=O)c1cccs1 2283932962 LXEXFJCATYTLMP-UHFFFAOYSA-N 400.331 1.672 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CC3CC3)C(=O)O)s2)OC1(C)C 2284395354 KHENOOPBZZINIZ-NSHDSACASA-N 401.315 1.579 30 10 HDEE C[C@@H]1C[C@]1(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416589 ZVKZPQCBXKJNAO-QLJPJBMISA-N 401.315 1.330 30 10 HDEE C=CCN1C(=O)C(=C2SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 2296727473 FBUXAVNQDAOKHL-NSHDSACASA-N 420.537 1.978 30 10 HDEE C=CC[C@]1(CO)CCCCN1C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360589698 AJCGZCZXNGABGM-RDTXWAMCSA-N 404.529 1.244 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362571515 NWGRUTLQKOQQEI-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365170269 LGMOIHWGZAUNSW-QMTMVMCOSA-N 402.557 1.586 30 10 HDEE CN(C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C)C(=O)OC(C)(C)C 2365170428 PKNPPTIPGWOVLF-AUUYWEPGSA-N 404.573 1.784 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200915 CLEWABGGRFHIJK-LIRRHRJNSA-N 401.525 1.828 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367786674 IMXIEVDLXZVYMG-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796498 QCUCBMZHCBVLKX-OAGGEKHMSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367799931 FOTFXJVHXMEEHT-YNEHKIRRSA-N 410.458 1.940 30 10 HDEE CCOC(=O)CS(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369955933 BDIMRFOYZRXUNU-UHFFFAOYSA-N 423.749 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)CC1 23264957 XZOWLEAMKWHSRU-IBGZPJMESA-N 400.567 1.982 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 27902785 BKISXAIUNIMJJY-AWEZNQCLSA-N 401.536 1.355 30 10 HDEE CN1CCC(NC(=O)c2ccccc2I)(/C(N)=N/O)CC1 40371436 TYDXVLBTJWMBMD-UHFFFAOYSA-N 402.236 1.232 30 10 HDEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)[C@@H]1CCS(=O)(=O)C1 111192613 CFKWVTAALXJAPU-NVXWUHKLSA-N 415.471 1.673 30 10 HDEE COc1ccccc1N1CCN(CC(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)C1=O 219963627 NIODXMCLEUIZJO-OAHLLOKOSA-N 422.445 1.279 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 409474533 FGHDASPBHQWBEY-AWEZNQCLSA-N 422.429 1.660 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 409482291 FBCSYOJXJGSVOT-HNNXBMFYSA-N 414.553 1.038 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 447430447 GRLQGEJSXBGVIA-UHFFFAOYSA-N 415.885 1.845 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 469350614 XSVBNNJIBHPELB-MISYRCLQSA-N 404.482 1.941 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)OC)cc([N+](=O)[O-])c2C)CC1 486873758 UWTPENSPKSKCLM-UHFFFAOYSA-N 419.438 1.142 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 487493479 BMIAVVAPVVXXHK-UXHICEINSA-N 417.469 1.764 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1C#N 489059796 JWQYLPNQNWCRIJ-UHFFFAOYSA-N 424.486 1.417 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2CS(N)(=O)=O)n(C2CCCC2)c1C 512276758 DXBKWMUYXGWZRG-MRXNPFEDSA-N 407.540 1.783 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2c[nH]c3cccc(Br)c23)CC1 513810801 HWWLYWRJOCKZBT-UHFFFAOYSA-N 419.323 1.919 30 10 HDEE O=C(NCC#Cc1ccccc1)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 540556535 DDROXOQCVDBPBJ-FCHUYYIVSA-N 402.498 1.936 30 10 HDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)c1 541665066 ICTFQKAEJHTRGZ-HXUWFJFHSA-N 420.469 1.619 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc(-c3cc(N(C)C)nc4ccccc34)no2)C1=O 547151724 XQUUMQHLTPIBIP-UHFFFAOYSA-N 406.402 1.828 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COCc2cccnc2)CC1 561599852 ATYAMSLZVNYQBO-UHFFFAOYSA-N 400.460 1.003 30 10 HDEE CCOC(=O)c1c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)noc1C 566647654 HMMWPLPVUKRAAM-UHFFFAOYSA-N 418.475 1.538 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 577855147 HSBLRPVOKJLXBZ-UHFFFAOYSA-N 415.475 1.344 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCN2CCOC2=O)c1 728390590 KZYOUYNMHBZDNN-LTGZKZEYSA-N 423.495 1.463 30 10 HDEE COc1c(F)cc(CC(=O)OCc2ccc(OCC#N)cc2)cc1S(N)(=O)=O 733446051 HCQRGAJVLGDATA-UHFFFAOYSA-N 408.407 1.670 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735225019 FQHLKXMJMOURCY-INIZCTEOSA-N 402.476 1.048 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1ccc2c(c1)OCO2 735294747 IFHCPPDCEGPAPI-UHFFFAOYSA-N 413.418 1.302 30 10 HDEE C#CCOc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 741665651 UXFRJMRLNSTULE-UHFFFAOYSA-N 420.512 1.711 30 10 HDEE Cc1cccc(N=C2NC(=O)[C@H](CC(=O)Nc3cccc(S(N)(=O)=O)c3)S2)c1 743277386 OOAFZONXOYQZKO-HNNXBMFYSA-N 418.500 1.890 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 743493451 UCSRABIGVZVABC-QGZVFWFLSA-N 409.577 1.895 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2c(F)cc(Br)cc2F)CCN1C1CC1 743909214 ULOSKJFLJKPDIC-NSHDSACASA-N 413.222 1.865 30 10 HDEE Cn1cc(/C=C/C(=O)OCc2cc(C#N)ccc2Br)c(=O)n(C)c1=O 755531076 OIPQDAIVFBFMTH-GQCTYLIASA-N 404.220 1.475 30 10 HDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CCOCC2CCC2)C1=O 764936536 BHOIIHIWTZBYLJ-HLGQQVFSSA-N 404.536 1.877 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](CO)c1cccc(Br)c1 766983714 OQNSIMMPCCYRSQ-PVEMMZBWSA-N 423.267 1.308 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c(C)o1 767955397 KZLWDHOSUTXMEQ-UHFFFAOYSA-N 419.506 1.950 30 10 HDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CC)c(C)c1)[C@H]1CCS(=O)(=O)C1 774048808 QKUBCJCJFFFRNG-HNNXBMFYSA-N 413.521 1.411 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 774199382 JOLUQLCCXHFUCU-WOJBJXKFSA-N 403.548 1.383 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782418785 XALSWCYFMBARNB-ZDUSSCGKSA-N 419.482 1.868 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)n1 788634365 NCAOOPHXEPKTAO-UHFFFAOYSA-N 422.482 1.881 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 790017127 YZDLIMBROPKQGQ-YXSIFCMVSA-N 403.552 1.400 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)Cc2ccccc2)c(F)c1 790826147 GUCSYWDJYFIBBR-UHFFFAOYSA-N 411.480 1.236 30 10 HDEE COc1cc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c(C)c1OC 797679212 GRERPYRYDCBZHP-SDXDJHTJSA-N 404.423 1.669 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1C 799919810 KGSXDRZYNPNZEG-UHFFFAOYSA-N 400.435 1.424 30 10 HDEE COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802535096 YIBRQGGTQMNBAB-QGZVFWFLSA-N 412.494 1.785 30 10 HDEE COC(=O)[C@H](OC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O)c1ccc(C#N)cc1 803468067 QEZZQKPWORWYQD-GCJKJVERSA-N 408.410 1.723 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812360136 VCFPGBBXAVSMNI-UKRRQHHQSA-N 409.537 1.179 30 10 HDEE N[C@H]1CCCC[C@@H]1N/C(=N/CCCn1ccnc1)Nc1ccc(S(N)(=O)=O)cc1 1088685190 QGXSHKJYNSUCSR-ROUUACIJSA-N 419.555 1.248 30 10 HDEE C=CCC1(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)CCOCC1 1124631169 CFZAEESXCMTRBH-UHFFFAOYSA-N 411.524 1.887 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN4C(=O)OCC[C@H]4C3)CC2=O)cc1Cl 1127265927 RAMMDDRNZMTUJK-ZFWWWQNUSA-N 402.838 1.618 30 10 HDEE C#C[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1)C1CCOCC1 1148194706 PIRFLJKBLOIBFR-IPJJNNNSSA-N 400.475 1.693 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCc3ccccc3C2)c1 1154541764 RWZUSBHKPVFENX-OAQYLSRUSA-N 411.483 1.735 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)C1=O 1155859461 ZMILIBMBVCEKBP-INIZCTEOSA-N 405.499 1.945 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(O)c(COC(C)C)c1)c1cc[nH]n1 1160644651 FADSOPPXIDMEHY-UHFFFAOYSA-N 404.423 1.963 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 1166752380 SMSLMVNNXXBGDR-OLZOCXBDSA-N 409.936 1.515 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 1170364255 BMVXCLAFDXLEEC-AREMUKBSSA-N 412.533 1.108 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1171532865 KZRFNSZUOGNASW-PXNSSMCTSA-N 405.520 1.520 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC[C@H](c2cc(O)nc(O)n2)C1 1171666540 NMXQHXSCRQGPTO-ZDUSSCGKSA-N 405.418 1.373 30 10 HDEE C#CC1(O)CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1174883175 QNDUCUGJUJJYCP-UHFFFAOYSA-N 405.520 1.260 30 10 HDEE CCOC(=O)Cn1ccc(NC(=O)N2CCN(c3cccc(F)c3C#N)CC2)n1 1207026919 CTBZGTGFFACGQT-UHFFFAOYSA-N 400.414 1.811 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)CC1 1211638420 CKCVHDSBLRZLMN-UHFFFAOYSA-N 414.531 1.698 30 10 HDEE CC1(C)[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H]1OCc1ccccc1 1235186811 QDEANLPAHLDTDJ-LXGFNABISA-N 417.531 1.950 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286349525 ZNKGYNVPTQMMMH-UHFFFAOYSA-N 407.522 1.463 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1286379335 NXLDWDWRYQIBHX-UHFFFAOYSA-N 402.466 1.233 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1286393926 MCAPROGMRFLYAE-GOSISDBHSA-N 416.547 1.743 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1286509831 DHWPYTZUUJASNG-INIZCTEOSA-N 413.503 1.961 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)NCC)CCC1 1286514976 SQGVTSMQINZPEE-OAQYLSRUSA-N 412.538 1.813 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1CCNS(=O)(=O)Cc1ccon1 1286525194 NCZVQFWBYGLXJF-LJQANCHMSA-N 418.523 1.330 30 10 HDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNS(C)(=O)=O)CC1 1286639662 CETCINLZQMGRDN-UHFFFAOYSA-N 420.495 1.949 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286711624 NNVTXUUXIDSNOP-SJORKVTESA-N 403.527 1.870 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1)C1CC1 1286738647 YWESVYPZGWILHH-GFCCVEGCSA-N 408.553 1.797 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286784474 IJTLMJWNWXSLFH-SFHVURJKSA-N 407.478 1.349 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN(CC)CC)C1 1286788482 XIEJZSGLJCDXGT-MSOLQXFVSA-N 404.559 1.990 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286791082 SVFHRESDLKYESY-XEWABKELSA-N 413.526 1.039 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)nn2C)C1 1286804441 NJPGLHQPJBULDB-GHTZIAJQSA-N 416.526 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC=CCC2)nnc1[C@]1(OC(C)C)CCOC1 1286824422 CSGTZOQWBZUYAI-IBGZPJMESA-N 410.540 1.686 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1286840369 DNOZHOIXJHNRKE-GOSISDBHSA-N 421.505 1.542 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(Br)cn1 1287955867 IABIZCSDKBXLMY-UHFFFAOYSA-N 409.265 1.199 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)n1 1290646107 FQPHGFHTAORXOI-LSDHHAIUSA-N 407.425 1.293 30 10 HDEE C=CCN(C(=O)c1c[nH]c2cc(OC)cc(OC)c2c1=O)[C@H]1CCS(=O)(=O)C1 1291936934 QGKNERIFGQWWME-LBPRGKRZSA-N 406.460 1.361 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(F)cc2O)CC1 1292890056 UGSRCULLCRWRRC-UHFFFAOYSA-N 412.259 1.191 30 10 HDEE CN(C)c1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(C(N)=O)c1 1295196865 CALBJKZNVVPNQC-UHFFFAOYSA-N 404.423 1.540 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1296227776 AUYRKYZBHYXXNE-KRWDZBQOSA-N 424.505 1.978 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@](C)(O)c1ccccc1 1300229036 QWHUJHZINFGYDX-AVYPCKFXSA-N 401.488 1.637 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)nc1OC 1300778885 INGYQMJZFWKORJ-OAQYLSRUSA-N 412.494 1.869 30 10 HDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301047210 CMIGREQRCBBKHZ-UHFFFAOYSA-N 408.959 1.893 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301259121 GJWFVKUEJZNTCW-QZTJIDSGSA-N 419.526 1.377 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC(F)F 1301278111 FEWRVLINGCOFPZ-UHFFFAOYSA-N 413.450 1.352 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1301373143 SXVMYRQYXLSSBC-UHFFFAOYSA-N 418.303 1.796 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCOC2)C1 1301588519 GIIQZUMYTAVPIK-QFBILLFUSA-N 410.540 1.737 30 10 HDEE N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)c1 1303862282 UXQZUECTBQRDDH-UHFFFAOYSA-N 415.294 1.372 30 10 HDEE CCc1nnc(N2CC[C@H](CN(CC)CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306132345 GTNVYAUULMGBEO-DVSFIDLUSA-N 415.542 1.535 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(C#N)c(I)n2)c1 1307362042 QDKFOLJMAYJPPR-UHFFFAOYSA-N 419.182 1.689 30 10 HDEE C=CC[C@@H]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1307960628 APKXDXULMURIMK-LLVKDONJSA-N 405.476 1.885 30 10 HDEE C=CCOC[C@H](N[C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1308721596 DJFSSBQJKZJEHZ-WDSOQIARSA-N 406.479 1.746 30 10 HDEE COc1cccc([C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)OC)c1 1313062450 HWAJJNXAUOGOOD-KXBFYZLASA-N 410.478 1.965 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)OC 1315800288 SEJCWPBBWFFMGA-SQNIBIBYSA-N 410.478 1.193 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CC1 1316538834 SHJVZIDARGJMRX-CQSZACIVSA-N 414.432 1.981 30 10 HDEE C=CCO[C@@H]1CCN(Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)C1 1320887774 HLEMHLKYRVHYCA-DLBZAZTESA-N 409.556 1.664 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1 1321717829 GRCWAERJZJVJPB-ZZEZOPTASA-N 411.462 1.573 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1358077217 KUMXXZVVEXKJBR-IBGZPJMESA-N 407.474 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1358871921 LYJCBRMVYLXFDV-LSDHHAIUSA-N 410.482 1.847 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358963939 QFNGLRAZUNEJOM-SJORKVTESA-N 416.503 1.163 30 10 HDEE C#CCN(CC#C)c1nnc(CC)n1C[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358979401 LIDHKLYORDPIKW-OKZBNKHCSA-N 413.522 1.938 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1 1358992702 TUVJYJRLBWOMOF-QGZVFWFLSA-N 407.474 1.758 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1359009936 CBBQAZLSZBPGKM-QGZVFWFLSA-N 421.567 1.432 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1359012262 FEVJRPQHDWJUIY-UHFFFAOYSA-N 414.535 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccnc(N3CCCCC3)c2)CC1 1359040975 KYGBSPJTVYHKQB-UHFFFAOYSA-N 421.549 1.986 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[S@@](=O)CC)CC1 1359043601 AMWMCGDACPWLAM-NDEPHWFRSA-N 402.524 1.008 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2CCOC[C@H]2C1 1359059686 WNAMEBXDUNUYOC-QGZVFWFLSA-N 403.577 1.818 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2cc(CO)nn2)CC1 1359160348 RVQOSWVOOIHHLV-FQEVSTJZSA-N 417.514 1.261 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1359287525 IFNUMIKZVQIZGK-HOCLYGCPSA-N 406.512 1.161 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359303582 UKERMHITLXZZBA-YWZLYKJASA-N 417.535 1.617 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1359550392 ASAXJQYMQAXLCK-UHFFFAOYSA-N 411.514 1.535 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 1439964936 TYOKSNYHIGWHIQ-HXUWFJFHSA-N 413.409 1.925 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1446977751 AWFLZAJMUPHRFG-MRXNPFEDSA-N 422.356 1.448 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 1448081415 REYJTBFJMGNIFX-AWEZNQCLSA-N 416.421 1.624 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1454716219 VOOGQRKBBNFBHE-ACJLOTCBSA-N 404.891 1.939 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCN(CCC#N)CC2)cc1OC 1454911000 VJZWVVSZKVGFKF-OAQYLSRUSA-N 402.495 1.199 30 10 HDEE C[C@H](CC(=O)N[C@H]1c2ccccc2CC[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 1456263381 CEWDZCXYPVJTCN-DUXSXAKTSA-N 413.499 1.668 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H](C)O1 1461211466 CQXMJNFMCXTHJF-HRCADAONSA-N 408.524 1.106 30 10 HDEE C=C[C@@](C)(O)CC(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1464759583 MYQYCGUEMPMTJO-HXUWFJFHSA-N 402.451 1.473 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)NCCN1CCOCC1 1464834295 JOVSTBASHUVGEM-QAPCUYQASA-N 422.476 1.629 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 1468507684 SRQFHUGGTYTPOI-HUUCEWRRSA-N 401.529 1.857 30 10 HDEE C#Cc1cccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1469004917 NDVYGDUURQUABL-HXUWFJFHSA-N 402.454 1.834 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1470341632 XZBOUUCXASTVGC-UHFFFAOYSA-N 400.460 1.629 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1471583349 BNSNLVHPDZBTOJ-LSDHHAIUSA-N 409.870 1.328 30 10 HDEE CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1472137223 GISOZDIDAKSXDN-INIZCTEOSA-N 412.446 1.280 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@@H](O)CC4(C#N)CC4)C3)[C@@H]2C1 1473743264 GAUUCRLWMTUZHT-NXOAAHMSSA-N 420.510 1.556 30 10 HDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1501092907 GMGPXTUMIIRKBQ-SFHVURJKSA-N 423.521 1.648 30 10 HDEE COCCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1504818389 ZOTAZRURAPAPPG-GOSISDBHSA-N 416.501 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1507514515 NVMDVLXMKRSRBB-INIZCTEOSA-N 408.506 1.770 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC=C 1507606491 NVNYDKCNOOIHQK-UHFFFAOYSA-N 422.532 1.019 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1507621658 XBPJVCVWZDMEQP-UHFFFAOYSA-N 411.550 1.988 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCCCO1 1507644289 GLGNUIDFDLXSLM-FQEVSTJZSA-N 416.489 1.953 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507752989 BLAVLHLOLQWVEJ-IAGOWNOFSA-N 407.540 1.227 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCC2 1508014842 XMLAEBSUXQVTHZ-UHFFFAOYSA-N 405.466 1.690 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 1508103755 IATPXORUYXKQSH-INIZCTEOSA-N 410.478 1.121 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)C1 1508123592 NASVVRDAFLQFJJ-ZIAGYGMSSA-N 416.448 1.505 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)CC1 1508144861 YMWBEUYZYCPFSV-UHFFFAOYSA-N 421.489 1.516 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 1508160576 GXVKLZKSAYYUSY-AWEZNQCLSA-N 423.568 1.020 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC2CCOCC2)n1 1511140515 OFCLQIHBRFBORH-SFHVURJKSA-N 412.494 1.963 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1517590218 KRWSPCMUVVOGCS-JOCHJYFZSA-N 423.521 1.254 30 10 HDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1517825260 CWKAENPVUPTATJ-QZTJIDSGSA-N 415.519 1.865 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(O)cc1 1519329454 WAYMVZZGOFWYPV-CRAIPNDOSA-N 401.467 1.679 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N(CCC#N)CC2CC2)C1 1519528145 AULVJGUOCFPOTG-DLBZAZTESA-N 422.555 1.541 30 10 HDEE CC(C)(C)n1nnc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1526906543 CLBLHBZZEWKPKB-LBPRGKRZSA-N 401.858 1.622 30 10 HDEE CN1CCn2nc(C(=O)Nc3cccc(OC(F)(F)F)c3C#N)cc2S1(=O)=O 1528581179 YCHDYTAUXZQNOZ-UHFFFAOYSA-N 415.353 1.540 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1538973811 PIHIXSUCTCXHOK-CYBMUJFWSA-N 410.316 1.903 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1539013206 IERXORADAYHUIG-HZPDHXFCSA-N 410.540 1.224 30 10 HDEE C#CCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140479 OJSUCKUHVASRIT-XMSQKQJNSA-N 415.538 1.933 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1 1539266863 TYDGLMAFGPGVTJ-XBMUEBEBSA-N 418.563 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@]1(C)CN(C2CC2)C1=O 1539332650 YVBOPUNVPNILAI-QHCPKHFHSA-N 402.502 1.738 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1539345545 UXFQJMKPWOLGHB-INIZCTEOSA-N 403.405 1.068 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cc(OC)ccc2OC)CC1 1539446917 LVRDZHAFNURCEZ-KRWDZBQOSA-N 411.506 1.603 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1539525172 VQZSSTWVSWXLOP-FQEVSTJZSA-N 411.575 1.951 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)CC1 1539874423 MKUZIKNLPQMXKI-CQSZACIVSA-N 420.539 1.743 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539977029 IINCRQUDDPLJJK-QZTJIDSGSA-N 402.543 1.637 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1540005147 JSBFAIVSKVBFHT-HNNXBMFYSA-N 410.500 1.202 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1(C(N)=O)CCOCC1 1540191963 SOPUVRXIIIOSEF-UHFFFAOYSA-N 403.483 1.767 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1542326101 UBVHQKRYVNOHOT-SGTLLEGYSA-N 401.402 1.277 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)C(=O)OCC 1544338401 DRUWPAVBTRVDSJ-AWEZNQCLSA-N 404.872 1.673 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1548330952 VOBZYTBDWXILBS-APWZRJJASA-N 424.571 1.931 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1555421843 ZRRMVAFTKBMBNS-FCHUYYIVSA-N 424.505 1.463 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1555672774 XJZMBIYSLMKRCG-GJYPPUQNSA-N 424.571 1.168 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)CC1 1555992114 HHNBFBQXBFDHEJ-UHFFFAOYSA-N 413.526 1.543 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)NC1CCCCCC1 1556782488 JFLGRVHATZWPCX-CYBMUJFWSA-N 415.537 1.859 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 1557541311 DYCUDNHRTOLDQS-FZKQIMNGSA-N 412.471 1.055 30 10 HDEE COC(=O)C1(C2(O)CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1 1560205296 RJKVXAYOQPTVTR-UHFFFAOYSA-N 406.504 1.502 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2)C(=O)OCC 1561828771 YLEISEMAOSSVKD-HNNXBMFYSA-N 400.884 1.948 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccccc2OCCN2CCOCC2)CC1 1563788525 RCLIMASBIVHKSI-UHFFFAOYSA-N 400.523 1.294 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@@H]1C(F)(F)F 1564720377 ABHGTCQHEDPEGJ-NEPJUHHUSA-N 421.420 1.361 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1565590054 KWEBIZORNCGGMO-UHFFFAOYSA-N 406.527 1.060 30 10 HDEE C[C@H]1c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)n2CCN1C(=O)OC(C)(C)C 1566318331 ZGSVAIRMAQWDSN-HNNXBMFYSA-N 415.494 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CC1 1567994149 JVWULULRUPMXLU-MRXNPFEDSA-N 413.540 1.164 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 1586690992 FXFULLDRZDKIJE-UHFFFAOYSA-N 414.487 1.851 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1587641350 ZMCRPXMLYUQJIY-DOTOQJQBSA-N 416.547 1.914 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1587697077 JFZDVWROBJNLKO-UTKZUKDTSA-N 401.511 1.702 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(O)CCSC2)CC1 1588884961 PPNRHYFNTFSVLG-QRWLVFNGSA-N 405.568 1.625 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccnc(C)n2)CC1 1589135184 UQRJVLLPDHZPGP-QGZVFWFLSA-N 413.551 1.921 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1589669422 UMUQAQUXEUVSIQ-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCOc2ccc(Cl)c(Cl)c2)C1=O 1595718168 KJHMQZRDQNAIHA-UHFFFAOYSA-N 400.218 1.465 30 10 HDEE N#Cc1ccc(OCC(=O)NCC[C@@H]2CCCS2(=O)=O)cc1Br 1596645137 AKFVZZFACBVFCJ-ZDUSSCGKSA-N 401.282 1.783 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)n1Cc1ccc(C#N)o1 1613342745 PVFXNOHAFMPECJ-CJNGLKHVSA-N 411.466 1.777 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC(C)(C)C1 1620082562 FJPIUNKBXMCMEE-SQNIBIBYSA-N 420.558 1.851 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C3)CC1 1620522036 YAUPAIDUKFMECG-OTWHNJEPSA-N 404.555 1.389 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1625450021 CKVSABFBVHYQOR-GOSISDBHSA-N 411.499 1.566 30 10 HDEE COC(OC)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 1626030111 UGIFAXWHPBCWOT-KSSFIOAISA-N 417.487 1.701 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1 1626150227 PPMYUUHKKKHCIE-QUCCMNQESA-N 420.387 1.876 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1628682361 JZNQRLNXNRMZIA-GJZGRUSLSA-N 413.906 1.970 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)COc2ccc(F)cc2)c1 1630141213 GOSLAAOYDRNTNM-CYBMUJFWSA-N 410.398 1.432 30 10 HDEE C=CC1(CC(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CN(C(=O)OC(C)(C)C)C1 1631985912 SMWKWGJPJRNGFD-UHFFFAOYSA-N 411.480 1.791 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CO)(NCC(C)C)CC2)c1 1634085551 ZNDGNRKZRMCBJB-UHFFFAOYSA-N 409.552 1.364 30 10 HDEE C#CCCN1CCC(NC(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1634355348 DSCCZCGGPIWMTA-HTAPYJJXSA-N 405.539 1.864 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 1634554714 GYHZXFZRPUXJKJ-PKOBYXMFSA-N 403.548 1.935 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@]1(O)CCOC1 1634919388 ZMHSZCUVYDSWFH-DYESRHJHSA-N 400.479 1.136 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1635495316 YNWYVKAYFQABQC-IBGZPJMESA-N 422.551 1.453 30 10 HDEE N#C[C@]1(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CCc2ccccc2C1 1638848469 SOLVIHINNWXJRZ-AVRDEDQJSA-N 408.433 1.367 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)C1=O 1639890448 ONYWIGWNIXOAJP-VFNWGFHPSA-N 424.542 1.962 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)n1 1639991989 LVPCPYRGCJLLFM-MRXNPFEDSA-N 406.483 1.711 30 10 HDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OCc1ccccc1 1640437650 OHXQNEARQHMUPO-ZDUSSCGKSA-N 404.419 1.985 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3csc(C)n3)cc2)CC1 1643372693 XHUPCLYFLKBRQN-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N3CC[C@](O)(CC#N)C3)CCC2)C1 1643609556 NPTHBMFIHDTRSD-TZIWHRDSSA-N 407.511 1.796 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CC1 1644282097 UBJBSGXIBGZLLE-UHFFFAOYSA-N 424.935 1.689 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)[C@]2(C#N)CCCOC2)CC12CN(C(=O)OC(C)(C)C)C2 1647764338 MPUQNOVJZRYNQC-LIRRHRJNSA-N 407.467 1.175 30 10 HDEE N#C[C@]12CN(C(=O)c3nn(-c4cccc(Cl)c4)cc3O)C[C@H]1CS(=O)(=O)C2 1648155833 PDFUKBSXJGFMGM-APPDUMDISA-N 406.851 1.242 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(C)C 1648791931 ILTIKUJVPILHHJ-APWZRJJASA-N 400.479 1.205 30 10 HDEE C[C@H]1COCCN1CCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1649561261 ALNICHDNDNVNLE-PZJWPPBQSA-N 424.549 1.903 30 10 HDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CCOCC1 1652143899 FEEDJSICWHTEBX-UHFFFAOYSA-N 404.532 1.923 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 1654442894 OUOYZUVAUKZYLN-RRFJBIMHSA-N 416.469 1.560 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C[C@@H](F)C[C@H]3C2)CC1 1655001213 BVLGPYNJGTUKLY-SLFFLAALSA-N 403.477 1.263 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)N(C)C[C@H](C)C#N)[C@H](O)c1ccc(Cl)cc1 1656066765 CIJNFSKGUWOOTF-KCPJHIHWSA-N 403.888 1.231 30 10 HDEE CN(C)CC1(O)CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 1657081260 GJLNDHBYENVKNB-UHFFFAOYSA-N 402.314 1.398 30 10 HDEE C#CCN(Cc1cn(CC(N)=O)nn1)[C@@H]1CCOc2ccc(Br)cc21 1658568957 LJNSYUGHMSVGLB-OAHLLOKOSA-N 404.268 1.485 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC#Cc1ccc(OC(F)(F)F)cc1)C2 1660567154 CGXGBFULFUXVMD-MRXNPFEDSA-N 407.396 1.809 30 10 HDEE C#C[C@@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC)c1ccc(Br)cc1 1662181618 PWRCWUWRLHHMJJ-HUUCEWRRSA-N 415.309 1.985 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1670882682 SUOHUWIDWKTHHM-CRWXNKLISA-N 423.457 1.028 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@H]3CNC(=O)C3)c(C#N)c2N)cc1 1675807810 HMRIMOYUPOFWSR-OAHLLOKOSA-N 409.494 1.393 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CC1 1678100793 DHGQTLMWUXPDRJ-UHFFFAOYSA-N 401.916 1.731 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682725938 QOMKGTSURWIXOD-DNVCBOLYSA-N 412.494 1.609 30 10 HDEE C=CC[C@H](CO)CNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1684430922 BUMQFJMQPPBRPB-LSDHHAIUSA-N 405.499 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1689851234 NVAGBLFGDOUPSN-GOEBONIOSA-N 418.519 1.704 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1689851370 PIWRKDDFXKZLTK-ZIAGYGMSSA-N 421.489 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CC(OCC)C1 1690004843 ICNGQQCDAUPYKP-UHFFFAOYSA-N 424.501 1.965 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1690234544 HXQQOGGXAVSXQW-CYBMUJFWSA-N 414.304 1.509 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690311662 QKOBRRJJWYLTBD-UHFFFAOYSA-N 411.572 1.999 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1690526696 BYSXDHYYQPLNLP-IBWPDUFMSA-N 417.535 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1690669745 NSKBTOXIQDUSCW-ZDUSSCGKSA-N 409.450 1.121 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(CO)CC1 1690674675 AUBSEYLGYMKIJF-UHFFFAOYSA-N 413.522 1.583 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCNC(=O)[C@H]1CC 1690675694 CAASPEIVFGCZCS-QGZVFWFLSA-N 412.494 1.183 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1690678069 JPKAKAAEKACQAW-QRWLVFNGSA-N 407.515 1.236 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1692219298 SOEARZJITJIQAG-KRWDZBQOSA-N 411.510 1.563 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(N(C)C)CCSC1 1692511453 ACZCIYHYKFTPSZ-LJQANCHMSA-N 405.572 1.594 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1695344410 OQKXIXVWSFPGJK-KRWDZBQOSA-N 407.478 1.993 30 10 HDEE CCOC[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696361992 COVYWMJIXAVMDC-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1COCCO1 1698129857 PAGBSCURWQPNBO-IRXDYDNUSA-N 407.515 1.938 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1705537588 KPEXLUNHXPKXBH-HXUWFJFHSA-N 410.522 1.577 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705561689 VTTKIEWYSWQESQ-IAGOWNOFSA-N 424.567 1.398 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1705603442 PDOJTEDAFBCWPP-UHFFFAOYSA-N 404.478 1.603 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1705603966 BMYAMGNIBBQESK-CYBMUJFWSA-N 411.478 1.869 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705608813 FSELMGZRBJUWNI-UHFFFAOYSA-N 417.473 1.063 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCS(C)(=O)=O)CC1 1705636181 ANUFFMGOBBULCE-UHFFFAOYSA-N 421.954 1.788 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2cncn2)nc1 1705667891 XZGOCXMACJGVJW-OAQYLSRUSA-N 419.493 1.432 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705813854 VVBPGLPYMROZAU-QGZVFWFLSA-N 421.509 1.849 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1722297265 YSESEVYSOQFLEC-UONOGXRCSA-N 421.548 1.130 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722344672 RRRZYYNYFSLYOW-KNKQGSTJSA-N 419.570 1.887 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN1c2ccccc2C[C@@H]1C 1722387335 UBZSYSZUWMTOEN-IBGZPJMESA-N 416.529 1.925 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccncc2)CC1 1722433423 UYRNHXJLSOVKKN-HSZRJFAPSA-N 424.549 1.712 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1722436454 GYUBLEBAXWSILL-OALUTQOASA-N 416.570 1.827 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C 1722446206 ATFAYZVWNMIPMJ-VQTJNVASSA-N 424.549 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOC)CC1 1722449692 XSNODGJIBVVGMD-UHFFFAOYSA-N 402.524 1.246 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CCCS(C)(=O)=O 1722481677 HYKMMSPZJIPLKB-UHFFFAOYSA-N 415.317 1.515 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1722510507 VCGPKMULFZBYGF-HZMVEIRTSA-N 407.540 1.900 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722615640 VQJNIIVKEBLMAY-INIZCTEOSA-N 424.571 1.446 30 10 HDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722630142 WJSVWOJUYGEQRI-SFHVURJKSA-N 417.485 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(OCC(N)=O)CC1 1722696211 FLQNJRQDBRSLGS-UHFFFAOYSA-N 412.494 1.026 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722699331 UJMSIOFKBNRRSR-QYWGDWMGSA-N 405.543 1.942 30 10 HDEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730927916 TYVGNRWWNUNGRD-AEFFLSMTSA-N 404.515 1.012 30 10 HDEE C=CCOCC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1736314967 JSAAOSRHBDXFSL-SGTQZHETSA-N 404.507 1.126 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CC(=O)N(C)CC)c1 1740565246 PAZQFYDGASPKBS-UHFFFAOYSA-N 412.494 1.349 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740629539 QULKOSIUECXXLV-HZPDHXFCSA-N 412.581 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCOCc1ccc(OC)cc1 1740637331 YLHLUUCSRYYCOD-UHFFFAOYSA-N 404.474 1.977 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCOCCN(C)C)CC1 1740692551 LGVKYWMYUPDXOZ-UHFFFAOYSA-N 416.957 1.932 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740955807 HOPKEPUNZZIJMY-HNNXBMFYSA-N 403.508 1.179 30 10 HDEE CCC[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1745292012 XFFYWKWSKBHONQ-HLIPFELVSA-N 407.515 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1748668339 JDQRJMNPVKGQFQ-OAHLLOKOSA-N 418.542 1.939 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1748814954 MAMCDAJYLGDAKN-MRXNPFEDSA-N 415.519 1.190 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)CC 1748840516 DAPMGIAVEZVRPS-UHFFFAOYSA-N 401.474 1.682 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)Cc1ccccc1 1748852205 ZDTSGGQYGLJZPZ-FQEVSTJZSA-N 418.545 1.994 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCN2CC)CC1 1748990968 NOXNPRMPDDGNGZ-UXHICEINSA-N 400.571 1.802 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749034083 VZNABNFXURVWAZ-UHFFFAOYSA-N 413.551 1.956 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749048245 MCMKOJDJGFLJSL-QGZVFWFLSA-N 420.583 1.763 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C1CC1 1749154673 YZCMLQGHJNUNTN-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749421052 JMJBRCJKYWJHSV-HXUWFJFHSA-N 412.498 1.459 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1749427035 KFMDXEVDYUATTN-KRWDZBQOSA-N 423.583 1.889 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1749487973 HKFGWZNXCLILHW-HNNXBMFYSA-N 406.508 1.868 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1749595959 PLDKDQPFJZUDRC-INIZCTEOSA-N 405.524 1.804 30 10 HDEE CC(C)NC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1750983938 BRSAZHDKOVAWMO-OAQYLSRUSA-N 418.542 1.973 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760146168 DXNBRGHKLLOBHJ-RXVVDRJESA-N 405.543 1.717 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760189973 MSNGYIDFIVAPPH-ZWKOTPCHSA-N 405.568 1.342 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCC(F)(F)F)CC1 1760268535 LJUPJCRXNNGISR-UHFFFAOYSA-N 423.443 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CC(OCC)C1 1760298955 BNQQDICIYWCADT-MUFKMQBASA-N 418.538 1.924 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760451992 AKKHYSPBNOJGHY-MSOLQXFVSA-N 403.527 1.999 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1760458911 XXUQKCQRINEIQA-GDLZYMKVSA-N 412.523 1.844 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1760466756 HIQRDNPZOHOLEL-UHFFFAOYSA-N 400.512 1.653 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1760514741 MCNZSZFLPWDNMX-UHFFFAOYSA-N 421.505 1.759 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)cs1 1760522635 XYSPCNZDFGAGLX-CQSZACIVSA-N 423.564 1.489 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760527226 PLCCNGZRKMHKEL-IERDGZPVSA-N 403.527 1.697 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760528710 KOJMZFKHRBMNMR-DOXZYTNZSA-N 409.556 1.563 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(CO)c2)cs1 1762296770 NQYCAOFPLOXOPJ-GOSISDBHSA-N 410.503 1.903 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1768569206 FGRNOAPRUQGINV-QBNCKDSPSA-N 423.477 1.015 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1772567385 BHJWWEXTHFFTJL-LJQANCHMSA-N 407.540 1.253 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)cc1OC 1850025656 FAPLIVFYRHZERR-ZDUSSCGKSA-N 417.425 1.932 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1852688206 BYIGCRXEGRDIHE-GOSISDBHSA-N 409.939 1.661 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)c2ccc(N3CCOCC3)nn2)cc1 1853305439 UVIFIIKYDLXCOJ-UHFFFAOYSA-N 405.418 1.631 30 10 HDEE COCCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(F)cc1 1853416464 VOZVPGUCUDCIIG-UHFFFAOYSA-N 407.423 1.623 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@@H]4CN(C)C[C@@H]4C3)ccc21 1853982696 WHZLTFJRKMOWHB-CALCHBBNSA-N 417.531 1.641 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)c(F)c1 1854299757 ISVFDTFFEHPCKD-KRWDZBQOSA-N 412.465 1.659 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516104 JKBYYXNAZLSUQJ-UHFFFAOYSA-N 411.483 1.939 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)C[C@H]2CSc3ncc(C)c(=O)n32)C1 1854658571 IXTFSDSUJBRYLI-HOTGVXAUSA-N 404.536 1.862 30 10 HDEE Cc1ccc(N2CCN([C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)nn1 1855377299 DHQQOSPCSRZZJU-IBGZPJMESA-N 404.474 1.149 30 10 HDEE CCOCC(=O)N1CCCC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1855767776 BLHDYUOYDZQRCR-LJQANCHMSA-N 418.538 1.405 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCCN(C4COC4)CC3)C2=O)cc1 1855833116 GJLSURJRWAJEML-OAQYLSRUSA-N 410.518 1.415 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C1=O 1856041275 KSNVBYQTDJLBIG-LPHOPBHVSA-N 409.490 1.934 30 10 HDEE Cc1cc(C)n(CCC(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)c(=O)n1 1856948855 VCPLZHIECUNBAY-IBGZPJMESA-N 413.522 1.641 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CCC1=O 1856953108 XPURBWKYPDRGLV-MSOLQXFVSA-N 424.567 1.191 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857108762 ANKHPWSHWQBUJG-SFHVURJKSA-N 409.446 1.381 30 10 HDEE C=CCNC(=O)[C@H](CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593543 JGVWTBBQINQHIQ-SJORKVTESA-N 417.506 1.292 30 10 HDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929467 HTCAWPOIPLISFW-GOSISDBHSA-N 412.515 1.110 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2cccs2)n([C@@H]2CCS(=O)(=O)C2)[nH]1 1870004815 MQADAPIOQOJNQD-CYBMUJFWSA-N 407.521 1.552 30 10 HDEE C#CCOc1cn(Cc2ccccn2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870563561 GMVIWSQIOGAMJF-UHFFFAOYSA-N 416.485 1.416 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(N(C)C)cc2)[nH]1 1871694821 JGSGLGCHMIQZLZ-UHFFFAOYSA-N 413.526 1.702 30 10 HDEE COCCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707244 JGHGPUBUVSTLFK-UHFFFAOYSA-N 405.436 1.275 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(F)c(F)c2)[C@H](C#N)C1 2162921961 RTAUACNEQRRUQV-SNVBAGLBSA-N 402.423 1.681 30 10 HDEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)NCS(C)(=O)=O 2203124264 HHDCEDLIPONBOY-LLVKDONJSA-N 402.347 1.752 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CC2(Br)Br)C1 2218015140 OQGXXUGGNRULEZ-BDAKNGLRSA-N 401.124 1.562 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2nscc2Br)c1=O 2227100212 ZEUZJPWBNIRUCG-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2243418789 LGLNGKVUSSNHHU-UHFFFAOYSA-N 415.324 1.831 30 10 HDEE Cn1nc(C(=O)N2CCCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2243422936 OPHJDPVHLAGPKZ-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2247781900 RXLZCLKUCBCTCF-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE Cc1c(C(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247826225 QFJKGRPGWUEXIL-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247847844 CETDHFUWCJODQO-UHFFFAOYSA-N 422.335 1.990 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247925721 GTRXUOTVQNWYHW-FQEVSTJZSA-N 424.303 1.584 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2249998308 HCZGJECUFMWQRN-MRXNPFEDSA-N 421.347 1.727 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167686 IMHVYBVYLMUOMC-IAGOWNOFSA-N 410.492 1.825 30 10 HDEE N#CCC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258176431 WAGKFSPAOYRJIP-INIZCTEOSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)C(F)(F)F)s2)OC1(C)C 2267715730 BNHKFELFZUFIQT-MRVPVSSYSA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCCO3)sc2Cl)OC1(C)C 2281968196 BXUCAFMUZWJOPC-NSHDSACASA-N 400.737 1.809 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281999860 HIXRLAWMNSKDMI-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CCc1nc(C(=O)NC[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282025743 SUJMSTJNUVSBQA-JTQLQIEISA-N 402.347 1.168 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315837 UACSFAIEHZHJMK-WCQYABFASA-N 401.359 1.747 30 10 HDEE COC[C@H](O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315957 VSAJOCHZAYMHKB-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE CSC[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282336632 ALPJDWMFEUHMPL-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282344584 WCLLYSGFIXZKNS-CANCMXDXSA-N 401.359 1.421 30 10 HDEE CC[C@H](C[C@@H](C)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415529 ITNYRMJJBFVYGZ-VXGBXAGGSA-N 404.363 1.411 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]1O 2282831004 CXTAPEAIUNLCCB-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835970 CRPASOZVIRYGFZ-LLVKDONJSA-N 419.761 1.753 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@H](N)C2)OC1(C)C 2282837100 RYUNGBGUPMHEOE-NWDGAFQWSA-N 401.363 1.132 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2CC(O)C2)OC1(C)C 2282838604 RFLDTWLUXOHAOF-UHFFFAOYSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC(F)(F)C2CC2)OC1(C)C 2282842310 WDWLLAHHUBBNDL-UHFFFAOYSA-N 408.301 1.907 30 10 HDEE CCNCCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282842666 BCHZXHFCIIVINS-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282846159 FQKQXGGNDKLEMD-VWLOTQADSA-N 401.359 1.174 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC(C)(C)S(C)(=O)=O)c2)OC1(C)C 2282852821 UTLDTDFGTVVUIU-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CN(CC1CCNCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854186 OLCQCQAJELUZQX-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2CCCNC2)OC1(C)C 2282871693 KUTDRKPRIQRAGW-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](F)C(=O)O 2284407792 PDKORAXGZQPKPZ-JOYOIKCWSA-N 407.294 1.384 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2290362381 UCOVXOCXNPZOIG-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc[n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c1ccc([C@@]2(C)NC(=O)N(CC(=O)NCC(OC)OC)C2=O)cc1 96567183 XQOYPUSRMNLSQH-HXUWFJFHSA-N 405.451 1.144 30 10 HDEE COc1cc([N+](=O)[O-])c(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc1O 169907836 HDDGHDIKCLDNFC-FRKPEAEDSA-N 408.348 1.056 30 10 HDEE CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3nccnc3C#N)C2)c(C)c1 219984127 BGUGJCCXIIUKAH-HNNXBMFYSA-N 415.475 1.847 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 410142976 OGLBIGYHOLREGG-WFASDCNBSA-N 400.501 1.865 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1 462403078 QEZMIZDXJPCFJT-UHFFFAOYSA-N 421.500 1.356 30 10 HDEE COCCOc1ccc(F)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 469163135 XIGWKADDAFUONG-UHFFFAOYSA-N 420.466 1.628 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3cn(-c4ccccc4)nn3)CC2)c1C#N 472071066 YVBDVVCFQVZWQI-MRXNPFEDSA-N 419.493 1.774 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)cc1 472166413 XIAMIQKPLVYWOT-LJQANCHMSA-N 417.531 1.770 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 473555214 UJIVMBCOVLBPLV-INIZCTEOSA-N 409.508 1.225 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3CCN(CC)CC3)c2)CC1 473818506 OFWIAOCRJUSRFC-UHFFFAOYSA-N 414.554 1.280 30 10 HDEE CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@]2(CCOC2)O1 478354049 KFPRIGURKASRIZ-VQIMIIECSA-N 407.492 1.289 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 487473593 GZEDDTZUILNMEL-GOSISDBHSA-N 424.523 1.019 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)cc1C#N 489853546 SURQBORORFFFRR-CYBMUJFWSA-N 408.505 1.297 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(=O)n(-c3ccccc3F)n2)CC1 497930026 KCRWQKZFUSVIEH-UHFFFAOYSA-N 404.405 1.601 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508827490 QZHQSXSTHGEECA-UHFFFAOYSA-N 424.549 1.344 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(CNS(C)(=O)=O)CC1 510169185 LLWCNPQDGKYRNR-LBPRGKRZSA-N 410.565 1.697 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 514917877 QDHPUMFHDADWRW-CQSZACIVSA-N 417.556 1.426 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c1 527243409 ADIOZSMSQWRNAD-UHFFFAOYSA-N 403.464 1.618 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(Cc2nccn2C)CC1 531546688 WDGJMWABLAUOQD-MRXNPFEDSA-N 408.510 1.031 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCC 537395239 WBRBIBUPYYXKOS-UHFFFAOYSA-N 414.531 1.451 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(Cc4ccccn4)C3=O)cc2C1=O 542281782 JMBHJWYHSQICLM-LJQANCHMSA-N 418.453 1.785 30 10 HDEE N#Cc1c(Cl)cccc1SCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 543958391 FNYLTBOGWQBDFI-ZDUSSCGKSA-N 413.952 1.635 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(=O)n(-c4ccc(F)cc4)n3)CC2)n1 546169708 IKMJYLCFUISMJQ-UHFFFAOYSA-N 404.405 1.601 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H]3CCCCO3)CC2)n1 549624764 FJEFVMZGKYMWSF-PKOBYXMFSA-N 423.521 1.944 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 553983151 HRLZHVUYVUCZAF-SFHVURJKSA-N 419.551 1.594 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCSCc1ccccc1C#N 557429550 VGJSRGQOOWKSKQ-KRWDZBQOSA-N 410.565 1.905 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 558164541 XCAFXWYOYKCQPF-AWEZNQCLSA-N 416.459 1.380 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@H]1CCCO1 560429213 JUEKZTKIEOGPAK-OAHLLOKOSA-N 409.467 1.084 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C#N 604001872 WUMCGUUAFYNGEE-UHFFFAOYSA-N 418.478 1.701 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 609134195 BIQMFOMQSJAGHK-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc(F)c(C#N)c3)C2=O)cc1 609676177 PDNBGAJLFUFSPS-GOSISDBHSA-N 403.435 1.785 30 10 HDEE N#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(F)c1 614259038 VCDJAXYLMMWIGO-UHFFFAOYSA-N 419.438 1.435 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 616017891 ZHUPJOKZSNNUDS-UHFFFAOYSA-N 415.519 1.708 30 10 HDEE COC[C@@H](C)N/C(=N/CC1(N(Cc2ccccc2)Cc2ccccc2)COC1)NN 705866454 LKMJFQNNKPLVQE-LJQANCHMSA-N 411.550 1.902 30 10 HDEE CCn1c(=C(C#N)C(=O)c2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729669667 BCEDHJBRAOXUKY-UHFFFAOYSA-N 400.463 1.963 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccc(F)cc3)c2=O)cn1 732561274 JVQHPHPFRJZSFS-UHFFFAOYSA-N 410.474 1.983 30 10 HDEE N#C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(Br)cc1 733254558 YCFZISNPGMGHJC-AWEZNQCLSA-N 421.276 1.628 30 10 HDEE C#CCN(C(=O)NC[C@H]1CSCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 759325738 DXMDDLDPIKDOAK-OALUTQOASA-N 421.588 1.436 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1C[C@H]1CCCO1 760377375 KITPXRFTFXIGOJ-GOSISDBHSA-N 403.467 1.301 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760771760 GLCKFTSODMCAOA-UHFFFAOYSA-N 415.475 1.098 30 10 HDEE Cc1ccc(N2CC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760988485 PUBQMOIKHBCWNY-LJQANCHMSA-N 404.474 1.899 30 10 HDEE CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 764240414 IAZOKAFXURPRMA-WMLDXEAASA-N 405.524 1.967 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 766142469 XEJJVBMLWNFSBU-MRXNPFEDSA-N 406.504 1.792 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC[C@@H](O)C(F)(F)F)cc1 768971499 ZWHCTQMFCWMKRO-TZIWFACNSA-N 422.429 1.934 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 783010437 FAKGNLGUQHWKTR-HNNXBMFYSA-N 411.524 1.430 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 783617934 IXSHNFQJXFOCCE-SFHVURJKSA-N 401.488 1.140 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)Cc1cccc(Br)c1 786977810 FYCMJUJIGSJZFE-CCEZHUSRSA-N 414.281 1.395 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)n1 788370370 SMCFTVPVDVSRPZ-UPHUGPLXSA-N 401.511 1.669 30 10 HDEE CCC[C@H](CCCS(C)(=O)=O)C(=O)NS(=O)(=O)Cc1ccccc1C#N 789389602 RMJFHPWIVAHCCI-CQSZACIVSA-N 400.522 1.745 30 10 HDEE COC(=O)c1ccc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 793399014 IASWUFYGPXFDQW-LBPRGKRZSA-N 403.416 1.150 30 10 HDEE C=C(Br)CNC(=O)N[C@@](C)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 797715516 PADUIZPJYGFXBU-CQSZACIVSA-N 405.270 1.598 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(=NOCc3nnc4n3CCOC4)CC2)cc1 797844509 HCQRBSXNCUONDN-UHFFFAOYSA-N 405.480 1.474 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c1 799928006 MXLHYTMYUSSTFH-NUJGCVRESA-N 408.524 1.885 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(OC)c(F)c2)=NO1)[C@@H]1CCS(=O)(=O)C1 802349879 YFLMVAXRVUENDE-HUUCEWRRSA-N 423.466 1.159 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 804457382 ULFXZKZNAQNDSD-YJBOKZPZSA-N 413.499 1.203 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCCC(=O)NC 809896783 RWNAXMVXQMBWKO-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 810166365 RQACHBZQLNHPPG-VAYDFKCMSA-N 416.507 1.902 30 10 HDEE CC#CCS(=O)(=O)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 810773229 VZPGSZQXNWGXMO-UHFFFAOYSA-N 415.265 1.034 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 849549336 TWOQJTMMIPUIFJ-VXKWHMMOSA-N 421.545 1.995 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cn1 1084014086 LLKJUXSFFWOMAR-UHFFFAOYSA-N 403.472 1.217 30 10 HDEE COc1ccc(CNC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1 1084163610 TYOPIYNEYJWZHN-UHFFFAOYSA-N 414.495 1.710 30 10 HDEE CCN1CCN(C(=O)CC2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)CC1 1126122521 AGCHVXBZWKOJMN-UHFFFAOYSA-N 400.527 1.512 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC/C=C\c2ccc(Br)cc2)C1=O 1131444401 LLFKTIABLHFBDJ-HYXAFXHYSA-N 420.263 1.945 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1135762865 UAOHZDAKZSQCDR-KRWDZBQOSA-N 422.468 1.737 30 10 HDEE COc1ccc(N2CCN(CCCNC(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1135936281 ZSEHYQZRGONVSH-UHFFFAOYSA-N 409.490 1.918 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 1136570795 RWWHPOTULWZKDT-UHFFFAOYSA-N 413.388 1.202 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 1138294637 JXWHMFZMOXBXAT-UWJYYQICSA-N 421.515 1.960 30 10 HDEE C#C[C@H](CO)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1141495359 BWVJKSABZQYDLN-SECBINFHSA-N 403.158 1.773 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1147642784 XHOBHYQSTSRFPJ-ZHRRBRCNSA-N 417.506 1.851 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2cnn(CCC#N)c2C)c1 1150845532 PWONHDONHABOHX-UHFFFAOYSA-N 420.495 1.324 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-n3cccc3)ccc2Cl)CC1 1152974391 RZXSMGXFMJQZGD-UHFFFAOYSA-N 406.895 1.356 30 10 HDEE C[C@](CO)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)cc1 1163431074 KHKCVZNVKOPUKZ-ZLDMJUSRSA-N 422.279 1.689 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)C2)nc1 1178460712 QBJCDQJNRUTYIY-KRWDZBQOSA-N 418.457 1.828 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1190335928 COTSEVQKMAYMNX-ZDUSSCGKSA-N 422.320 1.809 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 1208270754 BCHVGRBICVIVMM-OKZBNKHCSA-N 423.560 1.631 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)c(=O)nc1O 1218990723 CWTDRTPJLRUHLJ-UHFFFAOYSA-N 404.377 1.223 30 10 HDEE C=CCN(C(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2)[C@@H]1CCS(=O)(=O)C1 1219197656 XJAWVMMHNNMJEM-NWDGAFQWSA-N 413.521 1.628 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)C1 1248676578 OSDVNOGHCNEUCV-SJORKVTESA-N 404.515 1.092 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCn2cnc(C#N)n2)C1 1271807798 VESPZTMSGXPPLJ-OXJNMPFZSA-N 412.450 1.082 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1CCOC1 1286370510 NAGZJKTVKRWTLI-OAHLLOKOSA-N 402.524 1.734 30 10 HDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286383301 LYFFWXBQSIXSAK-INIZCTEOSA-N 420.922 1.750 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1286470701 BNFQELWLFHIMPH-CEXWTWQISA-N 405.543 1.572 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCO[C@@H]2C)CC1 1286475698 GSOICNDMDUEAIU-VGOFRKELSA-N 411.506 1.249 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(N3CCOCC3)n2)CC1 1286478999 NSNUOSUKEUGKIL-UHFFFAOYSA-N 423.565 1.512 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1286699411 CAYURARQSHXXLO-MRXNPFEDSA-N 419.555 1.207 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1286776550 GVZGZCGVSYNOOZ-INIZCTEOSA-N 402.543 1.964 30 10 HDEE CC(C)c1nnc(N2CCC(C(=O)N3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1287191318 DQQXFQXLJVWBKW-UHFFFAOYSA-N 412.494 1.990 30 10 HDEE Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289201950 VGZKPYAMWHJICU-KXBFYZLASA-N 418.906 1.904 30 10 HDEE CCCc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1289202060 VXLAHKBBMSKUDZ-FIKGOQFSSA-N 415.515 1.389 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1292591691 VQIQONSLTCGKJA-UHFFFAOYSA-N 408.480 1.677 30 10 HDEE CCc1nnc(N2CCC(Cn3cccn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1292964967 YSWLDVSEWGNXAI-VXPUYCOJSA-N 424.509 1.480 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1297057968 SNFOPYZWRWETMF-HNNXBMFYSA-N 401.423 1.637 30 10 HDEE C#CCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cn1 1297369069 CYAKKGLLPFHPOD-UHFFFAOYSA-N 401.275 1.418 30 10 HDEE C[C@@H](CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1299227301 GBGXNWLBWYQQBI-KBPBESRZSA-N 409.508 1.661 30 10 HDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(C)(C)C 1299634141 GISLCJXYWZFVIW-DZGCQCFKSA-N 412.560 1.689 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 1300441968 TZEHROUZVQVXRK-FMKPAKJESA-N 405.520 1.967 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1300488844 WXZGICCCCBHCKT-INIZCTEOSA-N 420.510 1.874 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(OC)CCOC1 1300541556 XEASKGATCJWQIL-QFIPXVFZSA-N 404.474 1.395 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)COCCO1 1300553359 FLLXESWNEPVUCE-OAQYLSRUSA-N 401.511 1.465 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1300689650 OGTOBJGNFWZTRW-WMLDXEAASA-N 406.464 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300692580 JOFDLURVTYBRHX-UHFFFAOYSA-N 413.547 1.525 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1300988613 HSUQGHCZUHNZNG-BRWVUGGUSA-N 412.556 1.634 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301237394 RHKLWVOYZPSQMF-HXUWFJFHSA-N 418.498 1.138 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC)[C@@H](C)C1 1301503187 VGOFIHRECFTFQU-HNNXBMFYSA-N 418.492 1.980 30 10 HDEE C[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1301952118 HEFBATGQZFVTFN-HOTGVXAUSA-N 412.498 1.242 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(C(N)=O)c1 1302242270 KTABNWVQUFOTHW-WBAXXEDZSA-N 412.494 1.888 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)OCC 1302418998 KDMYLKAFNWKYKJ-CQSZACIVSA-N 412.830 1.585 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(C)C 1303405421 SVNPXBQXBFFOHI-KRWDZBQOSA-N 403.531 1.408 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)NC[C@H]2CCCO2)c1)C1CCN(C)CC1 1311724772 WIUITNLLAHNIDQ-OAQYLSRUSA-N 412.534 1.834 30 10 HDEE CN(CCN1CCOCC1)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1314874505 WUVBYSSXOVTYKV-UHFFFAOYSA-N 407.478 1.545 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1315042335 GZUSZEHTLJDFND-APWZRJJASA-N 423.521 1.110 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CCC1 1316335452 CYXVHGUPFOMMES-CQSZACIVSA-N 419.482 1.780 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 1358956453 GFSVBNJRNXBSMX-OAHLLOKOSA-N 410.446 1.863 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358964300 XCRJOMZTYZSHFM-XLIONFOSSA-N 408.568 1.799 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358967367 JCJJIBAVASXPKP-DLBZAZTESA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(C)Cc1ccc(F)cc1 1358968291 GDANEHOTDWOKCZ-UHFFFAOYSA-N 422.508 1.858 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359094110 XETOCDTZJCGONM-PKOBYXMFSA-N 410.526 1.808 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1359211412 CQYZTIGOIKTROB-UHFFFAOYSA-N 404.492 1.917 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)nc1 1359273656 JMYOQGLEQHGQOV-UHFFFAOYSA-N 409.494 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359294120 KZMXEZIHECHPMS-HXUWFJFHSA-N 414.897 1.617 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1359303668 WVWRAYBKCGSXKO-SFHVURJKSA-N 410.522 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N2CCCC2=O)CC1 1359331579 CZGOXRGFDLKDSK-UHFFFAOYSA-N 421.567 1.738 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1359475419 KGDJYJBZTJNOCN-DNTCVELPSA-N 420.477 1.386 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1436172080 CGDLZKQBWKKCEV-IBGZPJMESA-N 405.503 1.424 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C#N)C1 1438002569 XJSJEJHCAWLYPJ-UHFFFAOYSA-N 415.475 1.327 30 10 HDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1440211531 JGVNSBHLPFCTCM-USXIJHARSA-N 412.446 1.611 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 1440806555 BIAJPWFVHBXGJQ-UHFFFAOYSA-N 411.481 1.793 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1442751353 SFDABWDQIJZCEG-MRXNPFEDSA-N 417.462 1.835 30 10 HDEE CCOC(=O)N1[C@H](c2ccc(C)o2)CC[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1445692553 SDJVWZZSHJJGAH-JKSUJKDBSA-N 402.451 1.835 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2c(F)cccc2F)s1 1446705144 HAMVUOSNNRWVMO-CQSZACIVSA-N 416.471 1.883 30 10 HDEE Cn1cnc(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1452264193 FQNBEINQLOFZNG-UHFFFAOYSA-N 403.284 1.634 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1454101247 CZHNBIRSLBLHCG-AWEZNQCLSA-N 415.471 1.257 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(Br)c2)CC1 1455116653 ZUGQWNZJXXHCIU-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(CC)CC1 1457842055 WURSUBUONXIPFV-CQSZACIVSA-N 402.923 1.303 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1I 1463916329 ULLKFCJMZNQYRH-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 1464684285 FLPBKBXFZWVIFF-HTAPYJJXSA-N 414.506 1.967 30 10 HDEE C[C@H](CC(=O)NCc1ccc2c(=O)cc[nH]c2c1)/N=C1/NS(=O)(=O)c2ccccc21 1467593582 BUTZZJJBUVXVMC-CYBMUJFWSA-N 424.482 1.662 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)cc1 1468009031 IFOCXVOEJCAAGC-SFHVURJKSA-N 409.471 1.278 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(=O)OC 1468875472 LLVDSMKBQKVYSF-HOTGVXAUSA-N 403.504 1.619 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1F 1469014711 BYDSLYNJOXAKEB-AWEZNQCLSA-N 416.434 1.014 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1470957477 PAFBBIXOGPIAJP-HNNXBMFYSA-N 413.927 1.784 30 10 HDEE Cc1nc(-c2ccc(Cn3c([C@@H]4CCC(=O)N4)nnc3N(C)C[C@@H](C)C#N)cc2)n[nH]1 1492660610 QYTFKTYMNBTZFU-GUYCJALGSA-N 419.493 1.967 30 10 HDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494419618 DZEQRPZKVKFTGA-CVTQAYBASA-N 423.477 1.015 30 10 HDEE COC[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1504575954 AMNGUFZRBHGPEX-CVEARBPZSA-N 401.467 1.877 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507633410 SGYALNHZSFELRG-HOTGVXAUSA-N 410.540 1.081 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1507681053 QGWFXKXNYLJGFS-HXUWFJFHSA-N 418.519 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)N2CCOCC2)CC1 1507725642 YGZOIKFHJVWSRZ-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1507728834 VKBHBOJZBQVHLP-UHFFFAOYSA-N 422.533 1.424 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1507732914 YXSCWEJNZHTSKB-QZTJIDSGSA-N 402.543 1.090 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O)C1CC1 1507992361 CGHNJRCAYZBSAE-INIZCTEOSA-N 417.535 1.390 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(N)=O)CCOCC2)C1 1508114593 DTHINNCCDILXIU-INIZCTEOSA-N 415.494 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC1CCOCC1 1508137565 NPRVYTLPPDKZTJ-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508160480 URRXKDDWXXJVBC-IAGOWNOFSA-N 420.583 1.307 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1509961419 ZBJPTUAWESNQCG-GFCCVEGCSA-N 408.418 1.887 30 10 HDEE Cc1cnn(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1511419232 HVDRTCSRKIFJPO-KRWDZBQOSA-N 417.539 1.515 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2nncn2C)n1 1511676407 FIFULYFCWVJADZ-UHFFFAOYSA-N 416.493 1.825 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1513970066 DRNRTKWWVIBUGN-APWZRJJASA-N 423.521 1.252 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1517320213 NDAOITJNQXWLNF-NRFANRHFSA-N 407.478 1.955 30 10 HDEE COc1ccccc1CCN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1518477154 LMRAADKZNBKAGV-FMQUCBEESA-N 410.478 1.800 30 10 HDEE N#Cc1cc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)co1 1522631261 YMYHZWDCWXRZIJ-UHFFFAOYSA-N 414.443 1.925 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cs1 1525015510 QGVSSAUGKPTALL-UHFFFAOYSA-N 408.509 1.017 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)COc1ccc(C#N)c(Br)c1 1526112406 OLZPCRVNHZQKJD-UHFFFAOYSA-N 403.298 1.981 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(C(=O)OC)c2Cl)C1=O 1532955283 UNHHPIBQCFKFMU-UHFFFAOYSA-N 414.201 1.695 30 10 HDEE COc1cc(N2C[C@H](C(=O)N3CCO[C@@](C)(C#N)C3)CC2=O)cc(OC)c1OC 1536619252 MWAFUTGOADOCMF-XCLFUZPHSA-N 403.435 1.206 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC 1539148655 MEFHFDBLJKVIOS-HNNXBMFYSA-N 405.524 1.713 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539256701 GFZUWIWTUJMWMN-OAHLLOKOSA-N 405.428 1.636 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H]2OC)CC1 1539428979 YWERVSKRZUOYIN-QZTJIDSGSA-N 400.527 1.084 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C2CC2)CC1 1539474049 IGFMEFDWXSUJRT-UHFFFAOYSA-N 420.517 1.437 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1539557297 PSTUGXYSVRQPMZ-CBVOVTJASA-N 407.540 1.569 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539631877 NZOIJHRWOZSIMZ-XDNAFOTISA-N 419.526 1.105 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1539643792 NJYWEYWMLGONKH-ZAAXVRCTSA-N 402.474 1.824 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1539669765 UEUWLOWEUUWDGI-INIZCTEOSA-N 409.512 1.655 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1540402185 YFPOUNFNHIJFLG-UHFFFAOYSA-N 405.498 1.989 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1540874037 SNIALHHJCYWIFT-KRWDZBQOSA-N 410.526 1.428 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)Nc1cnn(CC#N)c1)N2C(=O)OC(C)(C)C 1542388104 MCUDUHMCYUZMMY-ZQDZILKHSA-N 403.439 1.532 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1542768562 HQWYIJTVGMUGRZ-IRXDYDNUSA-N 402.499 1.894 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1554441958 LJKSTBOFXRWRCV-LJQANCHMSA-N 421.505 1.030 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCN(Cc4ncon4)C3)CC2=O)cc1 1556564918 CFBKZHODCSMEEY-IRXDYDNUSA-N 408.462 1.323 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3c[nH]nc3I)C2)nc1 1556824444 HBJORYQFUVXQLV-SNVBAGLBSA-N 409.187 1.574 30 10 HDEE C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(Br)s1 1557649080 YBVVBZKFLWCVGZ-UHFFFAOYSA-N 409.327 1.287 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2cc(Cl)ccc2Cl)CC1 1558073400 QURCIHWJMXEBKU-UHFFFAOYSA-N 422.359 1.697 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](C3OCCO3)C2)C1 1558402890 SZUWMSPKDVZYRO-GFCCVEGCSA-N 406.280 1.978 30 10 HDEE O=C1CC[C@@](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)(c2ccccc2)CN1 1559032695 FFQCYYKKGGBJIN-QHCPKHFHSA-N 421.453 1.739 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1560210249 QEVGOMOCWOGGHG-QGZVFWFLSA-N 409.939 1.661 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1561799137 LQDNXVRSYATAQX-MRXNPFEDSA-N 414.549 1.486 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 1568141638 AROKJBOYVLNGCU-HKUYNNGSSA-N 405.516 1.781 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 1583248105 ZXEUBWZIRGQUKZ-PXNSSMCTSA-N 424.519 1.520 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@@H](C(N)=O)C1 1583798402 QAILJQNTRSAZKL-SJORKVTESA-N 414.462 1.105 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1585942905 NGURVCNGXBSKJA-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2cccnc2)ccc1F 1586475523 LQIQFUVJAIPUND-MRXNPFEDSA-N 407.423 1.329 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1586927040 SCHYXVOVXQBXEF-OCCSQVGLSA-N 417.325 1.743 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N=c2nc(C)[nH]n2-c2ccccc2)s1 1587492116 LXCCOQAXCWTIJG-UHFFFAOYSA-N 417.516 1.705 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1587604890 ZUAPYYVZZKBXGE-OAHLLOKOSA-N 411.462 1.033 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@H]1C 1587904267 CMXANKZEMMACNX-VBKZILBWSA-N 417.897 1.471 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588029261 FJHWVNYZMODCNC-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1588073829 FLIZCHGPAKHNLE-NDGGLFBWSA-N 422.551 1.595 30 10 HDEE CCOCCOc1cc(C)ccc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1588123436 IWCABEMILOKJIO-UHFFFAOYSA-N 400.435 1.251 30 10 HDEE COC(=O)c1cc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1588158135 PYIVONUJUVWXEA-UHFFFAOYSA-N 417.443 1.393 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1588238080 KCJDEIMSSDRUFT-IBGZPJMESA-N 420.517 1.222 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1588314464 FSZQOMNUZPNJCM-CABCVRRESA-N 404.515 1.992 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1594194897 YALYDYZVPUQWLF-JSGCOSHPSA-N 419.498 1.715 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1 1594484983 AVYPKJYWJRUCSI-SFHVURJKSA-N 406.891 1.846 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595649815 VGDGGBOMXQWABI-IBGZPJMESA-N 424.505 1.966 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)c2occc2COc2cccc(C#N)c2)CC1 1597922283 RYQZIKICKZASIE-UHFFFAOYSA-N 403.460 1.884 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1611251448 CHEAEJBVEMVHGF-UTKZUKDTSA-N 408.543 1.831 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)C1 1611767224 JOLJTQIZYZBMPC-FQEVSTJZSA-N 406.450 1.775 30 10 HDEE COC(=O)[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2CC[C@@H](C2)N1 1614684798 CHPIWQUYORCTTJ-GBESFXJTSA-N 400.328 1.854 30 10 HDEE COCCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1620039081 MGCRNQMPVGEQKV-SFHVURJKSA-N 423.477 1.481 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1620102622 PJYLIJCOJRWYFJ-IDPBPBMLSA-N 418.542 1.199 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1623287233 KIFMHNGPRXKGGX-HNNXBMFYSA-N 411.499 1.327 30 10 HDEE COc1ccc(NC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 1624318039 PUFUVDCKZLVZEM-AUSJPIAWSA-N 419.503 1.985 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCNC2=O)c1 1625037330 WTAXTEUEDGQHMW-UDWOFDDZSA-N 406.508 1.744 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1626677315 PTIGRGLUVSJJBZ-QGZVFWFLSA-N 402.882 1.630 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 1628367492 YMHKVPKKYYWMES-HNNXBMFYSA-N 411.386 1.486 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1630276333 LIYPLWNDKVZGCL-NVXWUHKLSA-N 409.508 1.724 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 1631331019 PROFYJIMGGWODN-CVDCTZTESA-N 417.469 1.964 30 10 HDEE C#CCSCC(=O)NC[C@@H](O)COc1ccc(I)cc1 1631345446 VSULUGXJBGFPEV-GFCCVEGCSA-N 405.257 1.514 30 10 HDEE Cc1ccc(C(=O)N2CC(c3cnc4ccccc4n3)C2)cc1S(=O)(=O)NCC#N 1633605462 QWTNBWLSVOHVCS-UHFFFAOYSA-N 421.482 1.980 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)[C@@H](C)c1ccccc1 1633802450 DUDGSMPZEFJXJB-DOXZYTNZSA-N 401.488 1.506 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCn1cc(Br)ccc1=O 1635728485 PKINTZOFZXOBHZ-MRXNPFEDSA-N 419.279 1.857 30 10 HDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1636916059 QSAJGNDUXOVOET-UHFFFAOYSA-N 417.443 1.592 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C(=O)OC)[C@H]1CCOC1 1637689026 YYLBSEBOEZDVEP-IHRRRGAJSA-N 404.891 1.964 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](O)[C@H](O)CC1 1638741071 TXYPWJWLNZIKPM-XGBSXSJOSA-N 423.535 1.066 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1639134020 KSPDARSHAXGOKW-SJORKVTESA-N 403.527 1.442 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1641976699 QTNKXXYIRZYUMU-IBGZPJMESA-N 415.534 1.998 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NOc3cccc(C#N)c3)cc2S1(=O)=O 1643517611 CUVMIBHMNZVNPQ-UHFFFAOYSA-N 401.400 1.073 30 10 HDEE Cc1csc([C@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644139841 FPNSDZXNSAXAMQ-ZDUSSCGKSA-N 404.517 1.896 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1644563503 IWKRVIVEKYLWDQ-AWEZNQCLSA-N 415.556 1.660 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OC 1645503808 WGFPUIHENCAEQG-ZDUSSCGKSA-N 400.435 1.539 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1CN1CCN(c2ccccc2S(N)(=O)=O)CC1 1647898678 XIOBTICTNHXPGS-UHFFFAOYSA-N 401.448 1.436 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2cccc(C#N)c2)CCO1 1647906392 NGNUWFVUPRXBOY-OAQYLSRUSA-N 403.479 1.946 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3ccn(C)n3)C2)s1 1652125905 OZMLUXITILTLPD-CQSZACIVSA-N 408.549 1.895 30 10 HDEE N#Cc1cnn2c(O)cc(CN3C[C@@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)nc12 1656529988 NBKNITGQRWSFJT-XHDPSFHLSA-N 415.397 1.248 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1657314157 SMCBFDXHYVEGOB-NSHDSACASA-N 408.448 1.836 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)CCOCC1 1657599050 BFRPYGSKIVEQCB-QGZVFWFLSA-N 411.506 1.524 30 10 HDEE CNC(=O)CN1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 1660245918 JAUQMBWTTOQMOC-OAHLLOKOSA-N 417.579 1.827 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC 1663037807 OBHHKYQGQOAYCL-LBPRGKRZSA-N 421.244 1.482 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cc1C 1666305527 DIJWKYFRNMGGPK-UHFFFAOYSA-N 411.549 1.633 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1669272063 GBQZXMWZCLMRNQ-NEPJUHHUSA-N 422.320 1.808 30 10 HDEE C=CC[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 1675544336 NVUWDRHXSHSHEL-KRWDZBQOSA-N 407.540 1.141 30 10 HDEE C#CC1(O)CN(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)C1 1675908129 GBUROFHQIBFFQG-UHFFFAOYSA-N 404.514 1.898 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@]1(O)CCOC1 1680024189 BYDVPJXOZGAUAD-DYESRHJHSA-N 400.479 1.530 30 10 HDEE CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(OC)c(OC)c1 1682224207 DAJZUIXISXCQGI-AWEZNQCLSA-N 401.423 1.288 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)C[C@@H](c3ccccc3)C2)CC1 1686773798 QRFWQGJFTIFWQS-DFQSSKMNSA-N 418.563 1.754 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 1687755547 OPZLXUXPNYBJQP-ZIAGYGMSSA-N 417.470 1.119 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1689847395 YSIJSVZDGQVVAK-SUMNFNSASA-N 422.580 1.465 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1689962281 BIESKLNKAKGBSI-NSHDSACASA-N 408.388 1.220 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1690028453 WWIGQEKCBVXEDN-KCXPTXFHSA-N 400.523 1.809 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nnc2n1CCCCC2 1690100043 VLRWOXDSOSIUAE-UHFFFAOYSA-N 409.498 1.131 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC)C1 1690237128 VRQUMUKTMFODPG-SQNIBIBYSA-N 419.526 1.347 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1690361560 YPHGQOSCJWQCMJ-KRWDZBQOSA-N 416.526 1.165 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)CC1 1690364457 QUVDWFMWWMNODB-OAHLLOKOSA-N 405.524 1.585 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)NCC)CC1 1690715553 OCUPWWCFADZVAT-HNNXBMFYSA-N 412.560 1.244 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1690726910 QENJQHIWLGZGSU-MRXNPFEDSA-N 420.539 1.907 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1691005775 FBKJNZNWAWFAEW-OAHLLOKOSA-N 402.524 1.685 30 10 HDEE CC[C@H](C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1694201511 LBEKOYISAGEKIZ-GJZGRUSLSA-N 415.498 1.465 30 10 HDEE CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695175874 PUSFUBYYRZFHCH-GDBMZVCRSA-N 409.560 1.255 30 10 HDEE C#CCCCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1705522274 ZJTLNEGMWLAMIY-RTWAWAEBSA-N 403.527 1.696 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705523126 LCHCDCCZVOBRJV-GOSISDBHSA-N 413.526 1.712 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCc2ccccc21 1705540616 HLMCZQQSLCZSEE-JOCHJYFZSA-N 402.458 1.829 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705561846 UXEWTDCKBVCWBG-QGZVFWFLSA-N 418.519 1.617 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705571138 WEIHOMYJSGMXGO-QGZVFWFLSA-N 417.535 1.555 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1705710832 RPFHKRGKIFBXHM-CYBMUJFWSA-N 415.951 1.841 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1705736971 HKUYEIPMXNREPM-QFBILLFUSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705901513 NWMAIINFWGFPIY-AWEZNQCLSA-N 404.515 1.903 30 10 HDEE Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)c1 1707705599 FTOWQIUQZRMIDJ-HNNXBMFYSA-N 420.543 1.224 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1707716141 BHAWFYHYMLQEAA-HUUCEWRRSA-N 405.480 1.167 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCCCC1=O 1707891791 BWZXWBOHRFRLNG-UHFFFAOYSA-N 409.494 1.914 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1710826017 RQTFVNVCLPAQSY-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1712168503 DWDVVVVVUOARKX-INIZCTEOSA-N 414.441 1.880 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722301883 OJLLXKFALQPNFY-IEBWSBKVSA-N 415.563 1.945 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722338125 DKSBKULYAZJDME-KRWDZBQOSA-N 419.555 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1722385186 CTPSUTPXUFUHHF-UHFFFAOYSA-N 415.501 1.731 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1722416862 QOKOIPIPIXWCPI-OAHLLOKOSA-N 414.535 1.644 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722459860 SLORZAWCXDXHRZ-QKLQHJQFSA-N 406.552 1.923 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722543600 KAQPJASFRWKRIX-VXGBXAGGSA-N 404.814 1.792 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1722639784 FGLZZCFLPOZXFZ-CQSZACIVSA-N 408.503 1.345 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1722685446 GZZZKXZUVISXBR-OLZOCXBDSA-N 405.471 1.279 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccn(C)n2)C1 1722708861 FECINHRRYXNFFE-KRWDZBQOSA-N 401.515 1.760 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)SC)C1 1722710358 HKXZWWKCJWSBTJ-KGLIPLIRSA-N 417.601 1.811 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1722868020 YHBXJBQFEIAGNA-HNNXBMFYSA-N 416.507 1.474 30 10 HDEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1723854110 CMPOBYAQEGMLBY-KRWDZBQOSA-N 415.542 1.251 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1728638663 UYZFZHKTUCCDIF-NQIIRXRSSA-N 419.549 1.642 30 10 HDEE CCOCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729134278 SXWKOIDVLMGUOU-SFHVURJKSA-N 415.542 1.394 30 10 HDEE CO[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1729836305 HJPBQSNESZXMSW-RHSMWYFYSA-N 403.508 1.723 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc[nH]3)nnc2N(CCC#N)CC2CC2)C1 1731009669 BURMMOWMXRAYJN-MRXNPFEDSA-N 417.539 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1740542506 WRJVPLXMYVSQOH-HNNXBMFYSA-N 421.509 1.684 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740593533 IANFLDFNVHFFTC-UHFFFAOYSA-N 404.478 1.264 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(C)(C)O 1740610749 KIFQBVHKONFXAG-OAHLLOKOSA-N 407.515 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1740610845 MRWQYCNBSDGDOK-KRWDZBQOSA-N 411.462 1.142 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C1CC1 1740656886 OHVYQSADLPXPRY-QGZVFWFLSA-N 403.552 1.127 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1740687348 AKGWNWKNBHTXDO-WJFTUGDTSA-N 420.554 1.823 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc21 1740688409 PZXVATUDMUCTMV-QGZVFWFLSA-N 409.490 1.663 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1740715441 AIVCCSAZEGKFCM-QGZVFWFLSA-N 420.583 1.143 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740718029 GJFJWSKQNSFVAT-BEFAXECRSA-N 405.524 1.917 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740794632 FJTIKCZWQWLUOZ-IPMKNSEASA-N 405.543 1.532 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740954011 ZBJCLMHTCCKDGR-ZWKOTPCHSA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC(C)C 1740959385 TVRFVZAGTPIRDF-UHFFFAOYSA-N 419.555 1.633 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2ccco2)C1 1740961467 DJJGZLRDQFURJP-SFHVURJKSA-N 408.462 1.737 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCOC2)C1 1740978556 XSBMZKCWSJDCHM-HRAATJIYSA-N 400.479 1.886 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1741983182 HOCBXVYSIVSKTI-KSSFIOAISA-N 402.890 1.909 30 10 HDEE N#CCSCC(=O)N1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1743318426 NRJVFXUUZFOLOK-GZKCFLEVSA-N 403.548 1.896 30 10 HDEE CCC(O)(CC)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1744187891 PPBRCVRFZUEDLU-GOSISDBHSA-N 404.446 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1748647341 NAPRJIZPBAATAO-DNVCBOLYSA-N 410.540 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Cl)cn1 1748655862 HKCWCAIGANYKCV-AWEZNQCLSA-N 422.884 1.929 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1748747265 FMXPWZHJWZDTPU-CALCHBBNSA-N 408.462 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748808140 ACJQKHOSBZBKRM-HOTGVXAUSA-N 419.526 1.661 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1748826315 RDFAFNHFHDKPDR-AWEZNQCLSA-N 421.473 1.482 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2)CC1 1748990275 GMNXTLWLEAWLLJ-HXUWFJFHSA-N 421.549 1.511 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCN(C)S(=O)(=O)CC)CC1 1748990295 GRHGNWAYEOTVNK-UHFFFAOYSA-N 422.599 1.363 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1749022606 LBCUIUSWBJTLOD-UONOGXRCSA-N 415.585 1.258 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC 1749065148 VEUPUVXGVIZWQC-LJQANCHMSA-N 419.507 1.433 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCC(=O)NC 1749128676 YABMSGQRYRFXIK-MPGHIAIKSA-N 404.515 1.173 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749209416 XFSWMTQDVHVGPK-JYJNAYRXSA-N 404.471 1.848 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749445465 PAWOOQOMCAANSD-SFHVURJKSA-N 404.559 1.737 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749595874 LWQHDKDZTRTHKF-INIZCTEOSA-N 420.539 1.260 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1749680322 IZVKTEXDQYBVNL-FQEVSTJZSA-N 416.457 1.000 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1749735278 QWFPUSCSUGHNRC-AWEZNQCLSA-N 423.543 1.016 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1752561181 CZLXCWPIIVCIMK-CQSHLORDSA-N 418.542 1.340 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760182722 LLZOZCRJCUQQAZ-MDZRGWNJSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760187545 WTZIUTRSYSWDFW-MSOLQXFVSA-N 421.611 1.978 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760188094 HMVMRJYMXJSIDV-INIZCTEOSA-N 405.524 1.335 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NC(C)C 1760211283 FBRQCIGLXVWYRI-NRFANRHFSA-N 401.511 1.306 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1760233638 NICUUEWRXNMVSV-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCn2cncn2)CC1 1760267793 ANOISATVNLCVBQ-UHFFFAOYSA-N 418.505 1.511 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1760537703 RBTKKPSUYWSOCR-HNNXBMFYSA-N 400.874 1.952 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@@H]1COCCO1 1763102901 SYLDMRGAKGQVJY-QGZVFWFLSA-N 414.485 1.983 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1765104280 HPTWXYKXOPKQJY-UHFFFAOYSA-N 402.466 1.754 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1765167983 GQQHNNSFSWANPK-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CC#N 1766701376 GWFZSOYNIDTIQH-CVEARBPZSA-N 412.560 1.930 30 10 HDEE CCOCc1nnc(N2CC[C@](C)(CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767819422 XECWSUPUDPXRCH-PCYKQNFTSA-N 402.499 1.967 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCN(C)C 1770446438 PXWNYHPPJUTTOI-OAQYLSRUSA-N 416.501 1.898 30 10 HDEE CS(=O)(=O)N(CC(=O)ON1C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 1772785571 AXZLKTZTCHJYGB-UHFFFAOYSA-N 408.819 1.860 30 10 HDEE COCc1c(C(=O)N2CCN(CCC#N)CC2)nnn1-c1cc(Cl)ccc1OC 1848528692 DZEUWQLENRICAQ-UHFFFAOYSA-N 418.885 1.747 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)CC1 1848940683 DGOYFYQBFZJZPT-UHFFFAOYSA-N 407.474 1.397 30 10 HDEE Cc1nc(C(=O)OCCCN2CCCS2(=O)=O)c(C#N)c(C)c1Br 1852563323 DICHGMNLOFOMOW-UHFFFAOYSA-N 416.297 1.915 30 10 HDEE COc1cccc(O[C@@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1 1852692552 FAQQREYSUBKBQY-HNNXBMFYSA-N 420.473 1.991 30 10 HDEE CS(=O)(=O)N1CC(C(=O)Nc2c(C#N)cnn2-c2ccc(Cl)c(Cl)c2)C1 1852818119 LIGAFNOBVDGKBW-UHFFFAOYSA-N 414.274 1.881 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nc(-c4ccc(OC)c(F)c4)c(C)cn3[nH]2)CC1=O 1853102949 HFMCUQOSQBGSQY-CQSZACIVSA-N 424.436 1.642 30 10 HDEE COC1CCN(C2CN(C[C@@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)CC1 1853867875 JHZGCBFQNJQORS-INIZCTEOSA-N 411.506 1.127 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854590188 MPRVKZAJNWHREL-INIZCTEOSA-N 417.487 1.023 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccnc(-c4ccncc4)c3)C(=O)C2)C1 1855026705 BOHNXHWEPLHPEQ-IBGZPJMESA-N 404.474 1.416 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1855421615 WUJRZNDRRWVOBS-INIZCTEOSA-N 423.510 1.990 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3ncc(C)c(=O)n32)C(=O)C12CCCC2 1856281571 KYXIMPAVFZSUPP-HNNXBMFYSA-N 402.520 1.758 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(c4ccccn4)CC3)C2=O)ccn1 1856571744 MBKZJAVACNBRFW-LJQANCHMSA-N 404.474 1.692 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@@H]3CCC(F)(F)C3)C2=O)CC1 1857069990 FNUHHJXMFBPUJB-ZBFHGGJFSA-N 403.433 1.638 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc3ccccn3n2)C1)[C@@H]1CCN(C)C1=O 1857077233 WTPUXUDGRRZBSG-QFBILLFUSA-N 409.490 1.432 30 10 HDEE CN1CCC(=NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)NC1=O 1866094649 RKSFTIDXAAJEDW-UHFFFAOYSA-N 407.224 1.405 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCC(C(N)=O)CC2)nn1C 1870065889 RDEQLVIRUSWTGP-UHFFFAOYSA-N 414.466 1.099 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(C)cc2)c(=O)cc1CN(CCO)CCO 1870711431 PHVVOPSLTYCKCV-UHFFFAOYSA-N 415.490 1.147 30 10 HDEE C=CCN=c1nc(N(CC)CCO)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597280 SSOTXKDCXGBMLM-UHFFFAOYSA-N 402.499 1.673 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](COc2cc(C(N)=O)ccn2)C1 1891509811 PQHFEVYYEPVLML-CQSZACIVSA-N 400.460 1.532 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1899097939 ATCPWDPEODBBAD-BARDWOONSA-N 410.320 1.813 30 10 HDEE C=C(Cl)CONS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 1899486156 DISGOLPGUQBWAU-CYBMUJFWSA-N 406.844 1.058 30 10 HDEE C=C(Br)CS(=O)(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1 1982281832 PWOVYQMKZCQTLS-UHFFFAOYSA-N 413.334 1.888 30 10 HDEE C=C(Br)CN(C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1985053382 XIGOOQVZPRKOEX-AWEZNQCLSA-N 411.318 1.435 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1C#N 2054402930 JRMGSYFWKMKKRL-ZWKOTPCHSA-N 400.460 1.997 30 10 HDEE N#CC1CN(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2054408698 UOTTULUCHKLRCB-QGZVFWFLSA-N 404.492 1.467 30 10 HDEE C#CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074683472 KYLPITKUDKYJGI-HSUZBZBUSA-N 408.476 1.031 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 2089788745 NLAQXORBKVKJTQ-UHFFFAOYSA-N 411.483 1.815 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174790156 ZJXSSXWXESICRK-QDXKXIGTSA-N 414.509 1.655 30 10 HDEE COC[C@@H]1CC[C@@H](n2ccnc2CCN2C(=O)c3ccccc3C2=O)C[C@@]1(N)C#N 2183615895 IIKSQMQCQMELFB-WJONJSRFSA-N 407.474 1.930 30 10 HDEE N#C[C@H]1CN(C(=O)NC(=O)C(Cl)=C(Cl)C(=O)O)CCN1Cc1ccccc1 2203869703 DIUQIJYENJRJSC-LBPRGKRZSA-N 411.245 1.706 30 10 HDEE COCC[C@@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)NC(=O)OC(C)(C)C 2233901205 VPBFISHNEDFHST-AWEZNQCLSA-N 401.460 1.905 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)C[C@@H]2[C@H]1CO 2235549540 LLVGRCMEGHUIBO-FPMFFAJLSA-N 413.521 1.468 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243403196 TXJZLWYWLUYMJZ-CBBWQLFWSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243436708 LWWKUEBOWQFKDI-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE Cn1ncc(C(=O)NC[C@H]2CCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247779452 UCWFSSVIJNHMKT-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2247832826 WBCYLSULUKTGNU-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247857835 JDCYXZFEIZRHQV-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1 2247935654 YIBHZNDRKMDQNO-UHFFFAOYSA-N 421.303 1.337 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2248434012 UBBHEUMUEKFYNZ-UHFFFAOYSA-N 419.287 1.613 30 10 HDEE C#CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC(C)C1 2259893582 UMXOUGINORSLJH-RCDNUKIMSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2267411461 ZIEGAYIRSFOPCY-HNNXBMFYSA-N 409.313 1.512 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1 2270518308 FHMQYAUVIKVJNM-SFHVURJKSA-N 416.455 1.878 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)s1 2282062109 UBQBBINXBPPERN-RYUDHWBXSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CC[C@]4(N)C3)cc2Cl)OC1(C)C 2282316829 IOZQSSDCRYJCLM-HWPZZCPQSA-N 418.777 1.813 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN(C)C1CC1 2282321118 SEBVKQGUGJGBFK-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)NC 2282322085 GDZNGULSVKXEMS-LLVKDONJSA-N 402.347 1.159 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCc3csnn3)ccc2Cl)OC1(C)C 2282496085 VTKGPUKQCYUEFE-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC(C)(O)C1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282497307 OBBXAVPGRAGUEK-UHFFFAOYSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCCC(=O)O)OC1(C)C 2282504976 XCJYSHASADRMJA-UHFFFAOYSA-N 403.693 1.782 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)[C@H](C)C1 2282575384 BTUIMFQIIJJNLG-SNVBAGLBSA-N 400.331 1.010 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)O1 2282834275 RILPQVALNWHCOX-IJLUTSLNSA-N 402.347 1.428 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)C(F)(F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282836423 JULUPCOKIZORTQ-SNVBAGLBSA-N 409.285 1.356 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@](C)(CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838523 POMSDNHIUOYBOO-QGZVFWFLSA-N 400.375 1.715 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282838826 VBNNHHMYDWACCJ-UOXLDJKESA-N 421.415 1.743 30 10 HDEE C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282845374 RJXAAZCHVOAFIR-VIFPVBQESA-N 420.749 1.210 30 10 HDEE CCC[C@@H]1CNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856200 OVTZGMHBXMBYLW-CQSZACIVSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)[C@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2282871293 DWBBDGNWGUFZCO-GHMZBOCLSA-N 403.375 1.959 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2317413889 UDOGUOISMQRUIP-PXNSSMCTSA-N 408.520 1.175 30 10 HDEE COCc1nnc(SCC(=O)OC)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331589635 FNDMDWRXLJULCE-UHFFFAOYSA-N 400.844 1.939 30 10 HDEE C#CCCN(CC(=O)O)C(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2336520391 YTSKOZSINQTMRC-LAUBAEHRSA-N 402.447 1.739 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2365202416 NWCUSWLUJVFWGX-CABCVRRESA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365211542 MINIKUPSACCFMD-JVPBZIDWSA-N 402.557 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367815048 CUZOHPKHWMFKMX-JKSUJKDBSA-N 400.541 1.292 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2372803525 HEBBUNCNOTWTKW-KSSFIOAISA-N 404.529 1.810 30 10 HDEE COc1cc(/C=C\C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OCC#N 5981803 BLHJLTVDVQGFNF-UITAMQMPSA-N 415.471 1.617 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(SC)ccc21 44361407 RDCMLXOOEYYMKD-IAFNSTAXSA-N 409.558 1.909 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(N3CCC(N(C)C)CC3)cn2)cc1C#N 427757604 JOQNOYRILHUJEF-UHFFFAOYSA-N 400.508 1.988 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2(CC#N)CC2)c1C 435955274 FQFRKCCATWBENQ-MSOLQXFVSA-N 419.547 1.854 30 10 HDEE CS(=O)(=O)CCc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 437876588 VVRNHTKRMMFBLM-UHFFFAOYSA-N 413.503 1.894 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 441187179 YYBYHLGEUUXBQL-UHFFFAOYSA-N 424.429 1.493 30 10 HDEE N#CCCCOc1cccnc1NC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 466604826 TUHJMFWFICLSJK-MRXNPFEDSA-N 401.467 1.867 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475391227 DZCNZLCVWCIMDA-NRFANRHFSA-N 412.490 1.911 30 10 HDEE CC(C)N1C(=O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1(C)C 482405370 YPQLBVFNSQOVPT-CQSZACIVSA-N 406.508 1.083 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2scc(C(C)C)c2C(=O)OCC)C1=O 482807112 SWHISRUEXRLHQU-UHFFFAOYSA-N 407.448 1.964 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCOc3ccc(C#N)cc3)C2=O)cc1 486497027 NKAIGMRGVFTOHE-FQEVSTJZSA-N 403.442 1.909 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@H]2COCCN2CC(F)F)CC1 491900232 DEEZDLRZFIWQHE-SFHVURJKSA-N 415.444 1.721 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)CC1 492373122 DCUAFVJUWQEQRM-LJQANCHMSA-N 420.513 1.639 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 500516170 QFQPGTBDDRXANV-UHFFFAOYSA-N 402.414 1.525 30 10 HDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccoc1C 503740705 SPPRSVDABYUYCH-UHFFFAOYSA-N 419.507 1.442 30 10 HDEE CCN(CC#N)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 519429970 JEACSDHBMOWCRC-UHFFFAOYSA-N 402.270 1.174 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)ccc1C#N 522038305 VOJVEFIAEILYRT-UHFFFAOYSA-N 409.489 1.296 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cccc(N4CCOCC4)c3)CC2)c1C#N 530357460 WCJSPBYNVGOOIB-UHFFFAOYSA-N 409.494 1.791 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC1 533139706 OZFNKHQTLVFOSW-HNNXBMFYSA-N 408.499 1.283 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@H](NC(N)=O)C1)CCCC2 536491278 LLCHRXHFZYOFOI-CABCVRRESA-N 414.510 1.099 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@H](NC(N)=O)C1)CCCC2 536491297 LLCHRXHFZYOFOI-LSDHHAIUSA-N 414.510 1.099 30 10 HDEE CC(C)[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 538969255 HXFDMNXOFUHASP-ROUUACIJSA-N 420.535 1.778 30 10 HDEE N#Cc1c(CCCNC(=O)NCCCn2ccnn2)nn(-c2ccc(F)cc2)c1N 542453040 ZRCJPRTYSVEACC-UHFFFAOYSA-N 411.445 1.379 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)n1 543009686 SXWQSCFTVQHWBS-UHFFFAOYSA-N 420.820 1.695 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc3c(c2)COC3)CC1 544398188 WSCMSDGYFDBJBP-UHFFFAOYSA-N 411.483 1.664 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N(CC(=O)O)CC(F)(F)F)c1 548569379 KCAHDMTVBRBSIX-UHFFFAOYSA-N 401.160 1.958 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 549678966 OMUPJCAIRMHPPO-CQSZACIVSA-N 415.585 1.519 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 553698339 QHDAKWNLDMQTRZ-SFHVURJKSA-N 405.458 1.612 30 10 HDEE COc1cc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc(OC)c1OCC(N)=O 559256260 CNIDAEPYSNGSKY-UHFFFAOYSA-N 405.357 1.648 30 10 HDEE CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1nnc2ccccn12 578473736 IBZKZEUAQHWCNA-GOSISDBHSA-N 412.475 1.393 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1F 585704646 FGEFELSMAOUZSB-UHFFFAOYSA-N 400.385 1.307 30 10 HDEE COc1ccnc(N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)n1 608925964 OKXXQPRMKKDQQZ-UHFFFAOYSA-N 404.434 1.087 30 10 HDEE C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 612272873 YAPNLTUQTYNKAD-UZLBHIALSA-N 419.503 1.730 30 10 HDEE COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 619569761 KBAAQAOHRBLTLU-FQEVSTJZSA-N 419.485 1.454 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)C1CCN(S(C)(=O)=O)CC1 689599743 RJQFAXXMBCKIDX-IRXDYDNUSA-N 401.573 1.943 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703997183 BXCCECOBGDFTIX-UHFFFAOYSA-N 406.504 1.610 30 10 HDEE N#CCOc1ccc(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 727869156 DFWYPZQJQNVTIX-UHFFFAOYSA-N 424.276 1.929 30 10 HDEE C#CCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)[C@@H]1CCS(=O)(=O)C1 729334434 OZQJHGOCRUVJHU-MRXNPFEDSA-N 417.487 1.717 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(-c2ccsc2)ns1 731466303 VXNRZDDQOPITMS-UHFFFAOYSA-N 405.486 1.944 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1C#N 747495649 PTQFXFIZQVBEGD-UHFFFAOYSA-N 417.425 1.427 30 10 HDEE CS(=O)(=O)CCn1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1=O 760270573 YXBPNUGDVJQRTR-UHFFFAOYSA-N 415.880 1.219 30 10 HDEE C#CCN(C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@H]1CCS(=O)(=O)C1 774007217 FCJRRCQZJCUHNS-INIZCTEOSA-N 402.476 1.139 30 10 HDEE CN(C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 775148392 YRUMVVAXRLYVDM-OAQYLSRUSA-N 424.549 1.354 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 775367768 CEUDOVOBXPCDLQ-GDBMZVCRSA-N 422.507 1.394 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 778271348 CZCOMQDGWWRMNS-ZTBDEIDFSA-N 423.517 1.099 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 782102296 LLRFMXZWELAFCJ-INIZCTEOSA-N 418.523 1.317 30 10 HDEE N#C[C@H](C(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)NCc1ccc(F)c(F)c1 786572987 TVIBUVDMLDBHOC-CYBMUJFWSA-N 412.352 1.406 30 10 HDEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(CCNC(=O)OC)s1 788054108 NKMIQUKCCNCVHY-UHFFFAOYSA-N 421.500 1.810 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 788421645 XZOKFAZXMVUZMB-UHFFFAOYSA-N 416.478 1.699 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)C1=O 798546754 GYEKEUWDLOTLLB-UTKZUKDTSA-N 401.463 1.317 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C 800117530 XEHMVMBWRNINDT-GJZGRUSLSA-N 404.533 1.328 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@](CO)(c2ccccc2)C1)c1cc[nH]n1 801474246 NFBYDKCCRFMOMG-OAQYLSRUSA-N 414.462 1.246 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccccc1C#N 814250665 VIEDGLWERWOZOZ-UHFFFAOYSA-N 408.393 1.259 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 818608979 CKMMNRNOWHEVRG-AWEZNQCLSA-N 415.353 1.930 30 10 HDEE C=CCn1cc(C=NNc2nc(SCC(=O)Nc3nnc(CC)s3)n[nH]2)cn1 1084212084 MUQASTKAVMALPE-UHFFFAOYSA-N 418.512 1.778 30 10 HDEE CCOC(=O)c1c(NC(=O)COCc2ccnc(O)c2)c(C#N)cn1CCOC 1125069013 MSUSDYPZIAEMHJ-UHFFFAOYSA-N 402.407 1.439 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncc3c(n2)CCOC3)ccc1F 1130778866 LXHDMVLEGKLFFT-UHFFFAOYSA-N 406.439 1.083 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1134490513 PLRPWPXSFSLUMG-HNNXBMFYSA-N 401.282 1.997 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1 1137752536 YNDLCSMTGAXHGQ-UHFFFAOYSA-N 400.501 1.682 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(C)(=O)=O)CC1 1141380762 BYEFLWHPUJKQDP-HNNXBMFYSA-N 403.545 1.730 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1141778504 BOTRJRFSDGHXME-INIZCTEOSA-N 410.492 1.270 30 10 HDEE C#CC[C@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)C(=O)OC 1141995146 JKCVBBWCMVBILN-NSHDSACASA-N 405.501 1.800 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1148333540 DEYZUVRRHQYLAM-UHFFFAOYSA-N 412.515 1.603 30 10 HDEE CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1148816113 FLHBDHLKMAAVJA-YGCGCYASSA-N 400.497 1.933 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)CCS2 1158651728 GAZMNLQZANBECD-LFDOHDQPSA-N 401.488 1.622 30 10 HDEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@@H](C(N)=O)[C@H](C(N)=O)C2)c1 1168318263 FGFUIKBJNGZWSF-HUUCEWRRSA-N 412.833 1.663 30 10 HDEE Cc1oc(NC(=O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)c(C#N)c1C 1176410845 DCFJGJHTHXDZMN-UHFFFAOYSA-N 408.524 1.987 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(OC)ccc2C(=O)OC)n1 1211730523 BSBCVHVYTUFUEA-UHFFFAOYSA-N 421.475 1.149 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(C)(C)C 1212037180 CGQLWMOTKIIJMA-KURKYZTESA-N 408.520 1.990 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1)C1CCOCC1 1220866959 GPYGLUYGVJLDOZ-QGZVFWFLSA-N 403.479 1.390 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CS(C)(=O)=O 1248376342 WXTOQQSQNIZZRA-INIZCTEOSA-N 406.508 1.029 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)C1 1255366140 ZZHIGSIAGKLWCH-ZIAGYGMSSA-N 406.284 1.104 30 10 HDEE N#Cc1cccc(C2(NC(=O)CN3CCCC4(CC4)S3(=O)=O)CCOCC2)c1 1279757114 UFKBNXAKGZUUOB-UHFFFAOYSA-N 403.504 1.638 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccc(C)c1)N1CCOCC1 1286359310 YYHSAUOIWAGXIY-HXUWFJFHSA-N 424.549 1.868 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCSC1 1286419687 CTBJXTMWGILVPE-HOTGVXAUSA-N 409.581 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N(C)CC 1286421736 GSWXTMNQEDSNGM-NRFANRHFSA-N 401.511 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286486105 IHAZTFVAMCMXLS-GOSISDBHSA-N 414.554 1.626 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286504266 PJAZCNGMIKOHSE-KXBFYZLASA-N 400.508 1.486 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)O 1286582477 YYSSMDAXEXKCAO-HNNXBMFYSA-N 415.560 1.174 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286662352 HCRRUWXOFYKXHM-HXUWFJFHSA-N 417.535 1.216 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(=C)Cl)CC1 1286663615 OBJXSAAAUYYWSO-OAHLLOKOSA-N 415.947 1.766 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1286756515 NMOYWEVIVQOSAR-AEFFLSMTSA-N 411.510 1.808 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(Cn2cncn2)CC1 1286784814 URHWQYGARKDEBQ-UHFFFAOYSA-N 406.494 1.755 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1286810475 RRQCXQOPKHFODA-ZBFHGGJFSA-N 417.491 1.474 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(OC)cc2)nnc1N1CCOCC1 1286823988 SMUXQHQDGZRJTK-UHFFFAOYSA-N 422.507 1.303 30 10 HDEE COc1ccc([C@@H](CCO)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1295087915 LKKYBMGCXAQDNJ-GOSISDBHSA-N 406.435 1.985 30 10 HDEE CC[S@@](=O)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297807240 WVFSNCQTRFIWLE-SSEXGKCCSA-N 424.490 1.039 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1299071403 DVVARDWJSQENRT-HTAPYJJXSA-N 408.506 1.940 30 10 HDEE CO[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1299678145 MQQVZYDAWXQJLF-BBRMVZONSA-N 416.482 1.796 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300361284 DHUUDPFJIXEAGG-KRWDZBQOSA-N 409.556 1.841 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)NC)c1 1300663977 KDBKHHFAHKBEGO-UHFFFAOYSA-N 421.505 1.367 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300870087 PTQVCDHGAMXZHX-ZWKOTPCHSA-N 404.515 1.142 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1301422242 DGKAXWDYLDTONT-IBGZPJMESA-N 411.506 1.989 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CC)C1 1301497462 XOQNUQGYBRIRJJ-AWEZNQCLSA-N 400.483 1.934 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NOCCN2CCCC2=O)C1 1301635292 LJTAGHGBJXAQAY-UHFFFAOYSA-N 407.268 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1302436091 AMUSPSCTTKKEOP-GOEBONIOSA-N 414.510 1.946 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)cs1 1304665596 FMFPBYHZBUNRPI-AUUYWEPGSA-N 419.530 1.797 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC(C)(C)O1 1305204832 CEAKZSQGVWGBBM-HNNXBMFYSA-N 422.493 1.909 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1313098374 TZZFGSJVIJXHOE-MRXNPFEDSA-N 408.524 1.318 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1315730608 FGFMGNPOTKZEME-QZTJIDSGSA-N 416.526 1.696 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)C1 1342263166 MPGRIMKYDARUQG-HXUWFJFHSA-N 415.538 1.706 30 10 HDEE CC(C)N1C(=O)CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1354818623 RQMJXXHHWXPIOV-SEPJKUCUSA-N 406.508 1.837 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCn1cncn1 1359022932 RFBOHLGJQZSKQH-UHFFFAOYSA-N 404.478 1.815 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC1 1359025956 FDLWDQWIUSEIFH-UHFFFAOYSA-N 410.522 1.215 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1359040662 CXSQBOBRPKINCY-UHFFFAOYSA-N 421.549 1.904 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359224879 FZSSJTLGCUSYJA-GOSISDBHSA-N 411.510 1.978 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@H](C)C1 1359296503 LKKHHGPGLAFSHE-CQSZACIVSA-N 415.519 1.960 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359306478 HNYOQQRYEXQZDD-HZPDHXFCSA-N 415.498 1.582 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1359319957 JIRKJIVRPWFZHS-ZIAGYGMSSA-N 417.432 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1C(C)(C)C 1359335650 QSSJZYMDVGPOEA-INIZCTEOSA-N 422.555 1.488 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1359342825 GALAQIFFCLPKGJ-JKSUJKDBSA-N 414.597 1.962 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1359357759 NIIGINDFJJJDNV-IEBWSBKVSA-N 421.505 1.400 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCOCC1 1359717331 QMUGWJXXJBUKDA-UHFFFAOYSA-N 411.510 1.536 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2nc3cc(C#N)ccc3n2CC)[C@H]1c1ccnn1C 1435766276 MJCWUYUECHNGSH-MOPGFXCFSA-N 421.461 1.588 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CC[C@@H](c2ccccc2)NC1=O 1446138587 KZIVKUBPRIYADF-WMZOPIPTSA-N 419.489 1.542 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H](O)[C@H]2C(=O)OC)cc1OC 1447745532 XNTLDNBCOAWQKN-JXFKEZNVSA-N 422.478 1.750 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 1454217945 JKUFWQJYYLKYBE-CQSZACIVSA-N 415.519 1.570 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(=O)NCC34COC4)c2C#N)C1 1460684213 DFSLGAPHTVSBCR-CYBMUJFWSA-N 402.520 1.664 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1460836495 NJJARZHCSSHWOK-HZPDHXFCSA-N 422.526 1.336 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C2 1461183488 YVOLZGQNUZYEOA-UHFFFAOYSA-N 415.446 1.874 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2noc3c2COCC3)cc1 1465259167 NZXRIGSQNSKQSR-UHFFFAOYSA-N 406.464 1.876 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3nc(-c4ccncc4)n[nH]3)C2=O)cc1 1469762222 FTSPHIQSCYKYQN-QGZVFWFLSA-N 416.445 1.733 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1475461064 QFHFNPZFEZTRED-NSHDSACASA-N 423.318 1.513 30 10 HDEE C#CCN(C(=O)Nc1cc(COC)cc(C(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 1476649165 PJBOITJLLIROAK-KRWDZBQOSA-N 408.476 1.664 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H](C)N1CCOCC1 1492901059 FHGOIUATXLYBQP-INIZCTEOSA-N 413.501 1.645 30 10 HDEE CCOC1CC(O)(Cn2c(CC)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1502963658 GOYACAJTDRTDPZ-UHFFFAOYSA-N 411.510 1.364 30 10 HDEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1O 1504279119 ABTJEAWHJSMBNE-KRWDZBQOSA-N 406.446 1.755 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1507605451 UCOVHSWSBDVZHK-QFBILLFUSA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507622911 MWSNRPZCEQLLSY-GOEBONIOSA-N 424.958 1.968 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)c1ccccc1 1507713062 XFDSPJDQZAHXPK-PKOBYXMFSA-N 410.522 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507734397 LMJPOEHLODDTEJ-JOCHJYFZSA-N 424.505 1.291 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@H]2C)CC1 1507736841 TVFMIOMAXGQZBZ-XLIONFOSSA-N 422.533 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CC=CCO2)CC1 1507739772 KMSGNHPIWPONFC-HXUWFJFHSA-N 420.517 1.575 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507751140 KHHBDGBPKXRSSS-ROUUACIJSA-N 407.584 1.695 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(CC)CC)C1 1507753622 HKDXOYDXDABAJK-SJORKVTESA-N 404.584 1.764 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1507755444 FLIGYMSXDUXBID-GOSISDBHSA-N 414.579 1.787 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CC)CCS(C)(=O)=O 1507798020 MUJAZFHSIMCWFQ-IKGGRYGDSA-N 412.556 1.634 30 10 HDEE C=CCn1c(CCc2ccccc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508062510 HHTJQDVWIUMMGK-UHFFFAOYSA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508088980 HTSBCRXYIMWWEV-QZTJIDSGSA-N 403.527 1.727 30 10 HDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1517286387 CIUJPMNJPWGQAP-UHFFFAOYSA-N 422.493 1.627 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O 1520809717 LQHQVMHRDOWWPU-MRXNPFEDSA-N 417.437 1.479 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nn1 1529265310 WAYARTVKGRGRKS-KRWDZBQOSA-N 403.508 1.322 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cs1 1530460027 PKTYWGHUCLDQET-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE CC(C)OC(=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1533746396 GJIOQNQQSZTMSE-WMZOPIPTSA-N 414.462 1.856 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1538582586 FXSMMEYCAXHYNX-OAQYLSRUSA-N 403.479 1.742 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1539067334 CZCBLMCRGKRAMD-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539119233 IQPASRGKBNFUOI-YCRPNKLZSA-N 414.510 1.400 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1 1539121087 FMQQJAAFLXOUQP-UHFFFAOYSA-N 414.483 1.832 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1539201675 BSLWTUCYARHALU-INIZCTEOSA-N 409.600 1.790 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1OC 1539260185 LRFQVFHMIKSWNP-DLBZAZTESA-N 407.474 1.778 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@@H]2CCOC2)CC1 1539446500 DQNYOQZCLRUKBH-VQTJNVASSA-N 417.554 1.371 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539512229 AZFHZFMRLWLWMJ-HNNXBMFYSA-N 420.564 1.177 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(C)(C)C(=O)NCC 1539532881 FCBHMTGSKQQLCI-OAQYLSRUSA-N 400.527 1.669 30 10 HDEE C=C(Cl)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1539802876 BFGWYPQTDUAZRE-UHFFFAOYSA-N 408.934 1.546 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)CC1 1539847708 OFQFHWMEAHMTNF-QGZVFWFLSA-N 402.543 1.621 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)CC1 1539874723 OSSPTEOBTMUBDO-RDJZCZTQSA-N 422.599 1.775 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539900680 QXLBXHUEXZGQMO-NRFANRHFSA-N 400.527 1.833 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)COc1nsnc1N1CCOCC1 1539961754 CKGDPXNEHGGQHE-UHFFFAOYSA-N 403.464 1.308 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1539967406 QOOMDVGMSXWJTR-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539998792 PVXOUWMPUHWMGE-CVEARBPZSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCn1cccn1 1540871031 BUFCKTGWPDUIBZ-GOSISDBHSA-N 423.477 1.426 30 10 HDEE C=CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540922654 VBIFKSHMFFCZBM-QGZVFWFLSA-N 416.569 1.084 30 10 HDEE CC(C)OCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1541748964 ZLEUUIVTWCWHOQ-PBHICJAKSA-N 416.523 1.535 30 10 HDEE C[C@](O)(CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1541952959 GFPJLXPJYYNGSY-UWJYYQICSA-N 405.462 1.762 30 10 HDEE COCCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1COC 1548401374 GNQZPJIVDKRBPJ-MRXNPFEDSA-N 415.412 1.904 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)N(C)C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548402427 IOLVSGPEXUIDJK-AWEZNQCLSA-N 406.430 1.520 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCOC3=O)CC2)s1 1557649375 LHARWEJXKOMVEU-UHFFFAOYSA-N 413.521 1.198 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(c3nnccc3C#N)C2)CC1 1559077443 RVHKXNHSDXSPAA-INIZCTEOSA-N 400.483 1.644 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 1561296468 MRHHLOYZGILVOR-UHFFFAOYSA-N 401.891 1.066 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)CC1 1564416917 HMZHIDAPVBXWOU-HNNXBMFYSA-N 403.545 1.924 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1570092982 BDZGNDXEJCUNGQ-IBGZPJMESA-N 407.492 1.305 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNC(=O)c2ccc3c(c2)OCO3)C1 1570831298 LOLLRLLYZPDHFL-SFHVURJKSA-N 406.442 1.754 30 10 HDEE Cc1cc2c(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)n[nH]c2cc1C#N 1583605269 AYMMHVMDSFAOBG-UHFFFAOYSA-N 414.425 1.753 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1584145724 SMXQWBPOXPPFSF-CQSZACIVSA-N 407.568 1.074 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1587568389 PSVOABHHRBGJSZ-PGRDOPGGSA-N 417.554 1.641 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1587620835 LHSIOCUOPDSWFB-MRXNPFEDSA-N 416.489 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1587638113 BQZFAQHWZKSASC-HUUCEWRRSA-N 407.540 1.087 30 10 HDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1587773656 QRFJLEQPSWBQCP-LJQANCHMSA-N 411.506 1.632 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1589545669 ONNREVBHYBXWBK-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 1594090226 FGVHBCUHOGWMDC-GOSISDBHSA-N 401.559 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1595831567 SFLYLHMYZVQBGN-XLSPSMHOSA-N 424.567 1.766 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1611307578 DAOXBSJVJSAGBM-SWLSCSKDSA-N 420.420 1.910 30 10 HDEE CC[C@H](C)[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)OC 1613147306 CKQVCONADCGROO-JCECYMMASA-N 407.515 1.792 30 10 HDEE CSc1nc(O)c(C(=O)Nc2nn(C)cc2I)cc1C#N 1617981772 BSUFNBCVCVLIGB-UHFFFAOYSA-N 415.216 1.971 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cc1 1619183534 VWSWFSZTGUTWOX-UHFFFAOYSA-N 418.523 1.633 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2c(F)cccc2F)CCO1 1620354487 GMZHRWKZEGJWFJ-AWEZNQCLSA-N 416.432 1.764 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(Cc2ccnn2C)CC1 1620676555 ZFMXOCZFLIUMJF-GOSISDBHSA-N 410.522 1.882 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)cc1 1622886712 QKXDJQXCKMJRGG-ZDUSSCGKSA-N 420.495 1.728 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1628628103 JRCGYYSGUGMIKC-CQSZACIVSA-N 403.416 1.428 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1F 1628662449 MHOZYZYNVKNESN-SFHVURJKSA-N 417.462 1.967 30 10 HDEE C[C@@H](C(=O)N[C@]1(CO)CCc2cc(Br)ccc2C1)n1cnc(C#N)n1 1632865907 SPUXMACFQVSENI-APPDUMDISA-N 404.268 1.509 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1634610432 FOWHSRKTDAAGEZ-HNNXBMFYSA-N 410.515 1.669 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1635083224 VBHPLLUFPIXZSR-INIZCTEOSA-N 407.515 1.693 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN([C@H](C(N)=O)c3ccccc3)CC1)C2 1637884798 BKXYSUXQPHKJNM-SFTDATJTSA-N 403.486 1.579 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(I)cc2O)C1=O 1639594946 WKRKZFVDJJPMPQ-GFCCVEGCSA-N 400.216 1.856 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCOc3cc(Cl)cc(Cl)c3)C2)c(=O)nc1O 1640637057 SJVQSSBYPIZTCV-UHFFFAOYSA-N 409.229 1.980 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1nsc2ccccc12)c1cc[nH]n1 1641299886 VUSCZTJTCUQOPV-UHFFFAOYSA-N 401.448 1.662 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)cc1 1642713936 HDFCSBHCCCKTFA-FQEVSTJZSA-N 411.527 1.911 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCN1C1CCCCCC1)c1cc[nH]n1 1642911939 BBLLGGUJRSEQJK-MRXNPFEDSA-N 405.499 1.607 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1643675873 NCDHKZQSEGZJFV-HSZRJFAPSA-N 412.405 1.625 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(Cn3cnnc3)CC2)CC1 1643714942 FTQFTODFYXLCIJ-SFHVURJKSA-N 413.551 1.461 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c(=O)n1C1CC1 1644154468 ITAYWGDMRAFVMR-HNNXBMFYSA-N 416.478 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)CC4(C#N)CC4)C3)[C@@H]2C1 1644244846 HHKPPOSGISKOGY-KFWWJZLASA-N 404.467 1.721 30 10 HDEE CCN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc2ccccc2s1 1644637467 ZJBYPMBCDRQDQZ-UGSOOPFHSA-N 404.517 1.519 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1 1646157315 MMLKVMPDBBMVTA-UHFFFAOYSA-N 412.458 1.352 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1648734430 OSWHSNIMMRUNIL-KRWDZBQOSA-N 403.479 1.956 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OC 1648791263 MJPUTPNNAGYTSQ-CYBMUJFWSA-N 419.297 1.595 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1654975108 NNBDBFYRAIKQDG-PTSWNOGYSA-N 421.519 1.141 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCCC1 1657343611 GCKPUHGREBMECV-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 1658319970 DFMBLDJNXUKPON-LIRRHRJNSA-N 406.508 1.612 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccccc2OCCN2CCOCC2)cc1 1666732321 SRKIIXIEJQSJCF-UHFFFAOYSA-N 400.500 1.857 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1667133822 ZRBQIRZAGRWQDQ-HNNXBMFYSA-N 407.492 1.593 30 10 HDEE C=C(C)COCCNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1667967453 TYFPBNPMJOSRMH-UHFFFAOYSA-N 405.274 1.371 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 1671751103 JOOMQCJVNYLQJU-UHFFFAOYSA-N 403.426 1.906 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)Nc3[nH]nnc3C(=O)N3CCCC3)CC2)cc1 1678302941 GCJBYIPTVNLGHN-UHFFFAOYSA-N 422.493 1.652 30 10 HDEE C=CC[C@H](CO)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1681307991 NNXNUSFUNHACLV-CRAIPNDOSA-N 409.552 1.852 30 10 HDEE C#Cc1ccc(CNC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1682508746 DEWURETZNSYLJQ-GNZRSQJKSA-N 404.488 1.366 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nn1 1686848015 WURMQZUHECJUOG-UHFFFAOYSA-N 418.523 1.297 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1689875132 KSWUKUKNQDBPCR-IXDOHACOSA-N 408.572 1.365 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979898 IWSCHNIPXJOVMW-HAWMADMCSA-N 414.597 1.575 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988909 YNRNIFCNUNRMEL-CVEARBPZSA-N 419.551 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(-n2cccn2)c1 1690104431 WMNATZIOTQYFII-GOSISDBHSA-N 407.478 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@@H](C)C#N 1690661802 HUABBPMQOGGHNH-LBPRGKRZSA-N 420.315 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690731172 BSLBPZJTKJJSJD-YESZJQIVSA-N 409.556 1.403 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C1CC1 1698128865 HQCKPHOYFARCPR-HNNXBMFYSA-N 404.515 1.658 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1705486380 CMKGZFXTXQVQKN-ACJLOTCBSA-N 408.911 1.606 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1CCOC(C)(C)C1 1705540299 TUPXOKGPTJVIFY-OALUTQOASA-N 419.570 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1705575739 VQTQJWFSGWMRCX-LJQANCHMSA-N 421.501 1.950 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1705610447 OPUSWAQAUBUSLL-UHFFFAOYSA-N 410.503 1.756 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1705637093 IYZJJHYZIVLZCC-UHFFFAOYSA-N 403.490 1.098 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(F)c2)CC1 1705638178 BHARSVFLHQSKLC-UHFFFAOYSA-N 407.453 1.708 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705694497 RNKIWMNDCRTJOW-IRXDYDNUSA-N 411.572 1.854 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705725468 CLHFOVCDFRVFJH-HNNXBMFYSA-N 407.540 1.205 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1705877958 FZGCLTGBSQTACM-UHFFFAOYSA-N 410.482 1.519 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C)c1 1705897586 PJWOWHVPOZVXIP-OAHLLOKOSA-N 420.539 1.135 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1705922020 DSIIZNGXCORHSC-NVXWUHKLSA-N 420.539 1.285 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2cccs2)C1 1705922195 IBHBKJGCPCAQAC-QEEYODRMSA-N 417.535 1.980 30 10 HDEE CC(C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706323825 ZPQZMJIUIZRGHF-VLGSPTGOSA-N 400.483 1.545 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1708075984 YETVBPWUTVRJSI-YUMLTWSLSA-N 414.510 1.935 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn(C)c1 1708954210 DFFAFLUVETXTIH-SFHVURJKSA-N 407.478 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1722296561 RQNJKYFOZXQWBZ-HOTGVXAUSA-N 409.556 1.649 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1722326864 LIFHFOBSFZLHDY-OAHLLOKOSA-N 405.466 1.001 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCOCC1 1722353921 WRZJKPGKKZSFTF-UHFFFAOYSA-N 403.508 1.987 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1722366182 HEANAUAOGLBZIU-ROUUACIJSA-N 422.551 1.225 30 10 HDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)NC)CC1 1722432657 ZXIRAKFXYGAFOX-UHFFFAOYSA-N 406.534 1.639 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 1722508405 LHDFQHAUTGZEGH-LNLFQRSKSA-N 419.526 1.058 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@H](OC)C1 1722694759 HGPDIBXODKNKIT-INIZCTEOSA-N 413.478 1.634 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1722699176 CVVXBQGWMUAJNE-CQSZACIVSA-N 418.929 1.643 30 10 HDEE C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1723829692 WYLXWPZHEUBNOT-MRXNPFEDSA-N 405.510 1.817 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1740542529 XARHXKODWILTDQ-QGZVFWFLSA-N 403.494 1.641 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1740667734 OLIAJULFVALUMJ-FQEVSTJZSA-N 415.567 1.346 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740683583 AXLHIXXQUWHQJC-QGZVFWFLSA-N 420.477 1.149 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCC=C)CC1 1740704445 OBWVRFBNTPSZIK-UHFFFAOYSA-N 413.551 1.564 30 10 HDEE C=CCN(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1740896482 VVLSVWZXROJRPH-UHFFFAOYSA-N 408.553 1.341 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740900488 YPSUWJSBEWCERH-MRXNPFEDSA-N 403.508 1.809 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C)C1CC1 1740911665 XHNPQFMGRDBTMJ-UHFFFAOYSA-N 419.507 1.761 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1741199064 LCIVONPJQZNCPU-FUHWJXTLSA-N 413.526 1.996 30 10 HDEE Cc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1742551008 BSPIBYVYSIVRBE-ZYHUDNBSSA-N 411.557 1.606 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1743783000 LCOFYALSMRLYCK-IRXDYDNUSA-N 407.515 1.733 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1747708050 YZBGUWLDLKZNAL-RBUKOAKNSA-N 424.505 1.448 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1748747015 APXJNNYYRPNKLS-SJORKVTESA-N 413.526 1.225 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748811113 BUNGDKOJZUKGEQ-RDJZCZTQSA-N 417.535 1.715 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCn2ccnc21 1749589827 IYIJFEIRMOTGAS-INIZCTEOSA-N 401.515 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@](C)(C(=O)NC)C1 1749664343 KXTLNKXZAKQQTO-NRFANRHFSA-N 412.494 1.218 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1749669890 OWTBCWSTGAHSAU-SJLPKXTDSA-N 415.469 1.801 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N(C)CCS(C)(=O)=O 1749689765 JZAOCMBYRGZAOA-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc21 1749721789 UDPHYDWAFXPXMG-UHFFFAOYSA-N 403.508 1.711 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1749734160 FMJSGYDMJUXCMM-MRXNPFEDSA-N 424.571 1.024 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749754034 FEILQZVDHCSEIU-IHRRRGAJSA-N 415.585 1.406 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C)o3)nnc2N2CC[C@](F)(C#N)C2)CC1 1749883965 DVFMHJNYEIQABI-FQEVSTJZSA-N 415.473 1.453 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1750067459 WLYMYEMLVAAWRB-CQSZACIVSA-N 403.450 1.624 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCc2nccn2C1 1751199193 JCBULUGMTFRMJR-ILXRZTDVSA-N 420.543 1.086 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OC)c2)CC1 1760153177 JLGMDWGWPWGGAK-IBGZPJMESA-N 408.506 1.978 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCC 1760170683 MLXXTLFKARRKCQ-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@]2(N(C)C)CCSC2)CC1 1760270673 VRMCKBMVKLGIBH-FQEVSTJZSA-N 404.584 1.244 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1760345406 YUPNZRUWKUGAPT-OAHLLOKOSA-N 412.454 1.435 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760372379 HGRWPDQDQRBWQB-UHFFFAOYSA-N 413.873 1.613 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1761362733 HPLUCLBSRXWFNC-BZUAXINKSA-N 417.539 1.693 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1764566514 FAWLVQAFEHZEMR-HXUWFJFHSA-N 414.441 1.684 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765914657 ZTBXWZKIBDUITD-VLIAUNLRSA-N 414.466 1.110 30 10 HDEE CCN(CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C1CC1 1766915599 RRVUZESPFCABKC-GHTZIAJQSA-N 418.542 1.532 30 10 HDEE CO[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1768022179 GCCSHFKDMTVBLZ-QRWLVFNGSA-N 414.489 1.929 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1770940431 HLRPFQMBVNVIJW-SFHVURJKSA-N 412.494 1.441 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)C1 1771528782 DRGJSKHSZUUSJM-FOIQADDNSA-N 411.441 1.700 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@H]2COCCO2)c1 1771530338 ICZMAZBGTCDFAT-SFHVURJKSA-N 410.478 1.324 30 10 HDEE O=C1CCc2cc(S(=O)(=O)NCC#CCN3CCCCCC3)cc3c2N1CC3 1849281096 QMEKDYNAQFVJHU-UHFFFAOYSA-N 401.532 1.680 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)cc21 1849807429 SSFXSIISPMWUML-UHFFFAOYSA-N 404.492 1.520 30 10 HDEE CCOc1ccc(CN2C[C@H](C(=O)NCC#CCN(C)C)CC2=O)cc1OCC 1850612224 LJALNTINGZZEGC-GOSISDBHSA-N 401.507 1.514 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1852968822 NLNRFNVIUMPCCW-QGZVFWFLSA-N 409.939 1.709 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CC(S(=O)(=O)C4CCCCC4)C3)cnc2c1C#N 1852997995 BRAMCYSPEUHYGQ-UHFFFAOYSA-N 401.492 1.790 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)CCc2ncc(C)o2)C1=O 1854083061 YRKXYCJYAAGDJG-IRXDYDNUSA-N 402.495 1.542 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCn2ccnc2CC)C1=O 1854249349 UTQQMEIKULNQEI-MSOLQXFVSA-N 415.538 1.462 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CCOCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854525823 WHCPYDFVZCCTCR-UHFFFAOYSA-N 405.476 1.123 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(c4ccccn4)CC3)CCC2=O)ccn1 1854734931 XADPPKWXKZLPPG-QGZVFWFLSA-N 404.474 1.549 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@@H]1C 1854822014 WZUOUGUKMYJCBW-HOTGVXAUSA-N 415.490 1.692 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1855647035 KYJJYQCVTVPCSP-QGZVFWFLSA-N 403.504 1.993 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4cc(C)on4)CC3)CC2=O)CC1=O 1855752554 ADCKFAONPXTAAH-ZWKOTPCHSA-N 414.506 1.605 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)C4CCOCC4)C3=O)CC2)n1 1857006361 NPIAHJQIKYETGO-LJQANCHMSA-N 412.490 1.598 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043074 KAFGHVHXORNBLG-JKSUJKDBSA-N 401.504 1.701 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn3ccccc23)C1)[C@H]1CCN(C)C1=O 1857076761 OMXVKSAMUIIHPD-APWZRJJASA-N 409.490 1.432 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nnc(C2CCOCC2)o1 1857221667 UNBNVBQJFHNUIN-AWEZNQCLSA-N 409.446 1.708 30 10 HDEE CN1CCN(C(=O)COc2cccc(NS(=O)(=O)c3ccccc3C#N)c2)CC1 1858037920 UPYZUNLZACUHIK-UHFFFAOYSA-N 414.487 1.512 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858336017 RIRITGXAUOTMNI-INIZCTEOSA-N 423.491 1.747 30 10 HDEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1870151372 UQSNDBCYSIYAJD-CQSZACIVSA-N 423.477 1.991 30 10 HDEE C=CCn1nc(C(=O)N(CCOC)CCOC)c(I)c1C 1871334620 GJHYOBXITPAZLU-UHFFFAOYSA-N 407.252 1.717 30 10 HDEE C=CCn1nc(C(=O)N2CCC3(CC2)OCCO3)c(I)c1C 1871334750 MYGKGSRDYIWVFA-UHFFFAOYSA-N 417.247 1.961 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1cc(OC)ccc1OC 1872633968 GPOXNLWYWKCSCI-UHFFFAOYSA-N 416.434 1.847 30 10 HDEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCN(CC)CC3)ncnc21 1873591063 CINHLTBQAGJZBG-UHFFFAOYSA-N 400.527 1.916 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889404458 ZPMLISIVWDJAFL-LJQANCHMSA-N 417.525 1.851 30 10 HDEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 1902632476 LTUGYQXOIZJZBW-GBESFXJTSA-N 414.506 1.905 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)N1CCC(C#N)CC1 2140653807 ILOPSQUGXUMWFQ-ZIAGYGMSSA-N 404.558 1.407 30 10 HDEE C[C@@H](NS(=O)(=O)CC1(C#N)CCCCC1)C1(O)CN(C(=O)OC(C)(C)C)C1 2166329579 YBMPCOJYKHPWIA-CQSZACIVSA-N 401.529 1.750 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174790191 ZTLPZYGEIAXVCL-WMLDXEAASA-N 404.508 1.796 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180138856 BMVNINHMAGUXPH-OLZOCXBDSA-N 408.467 1.574 30 10 HDEE C[C@@H](NS(=O)(=O)NCC(F)(F)F)c1nscc1B1OC(C)(C)C(C)(C)O1 2186632455 XTUGWOFDZYQHSG-MRVPVSSYSA-N 415.268 1.490 30 10 HDEE CC(C)(C)OC(=O)NCCONC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243425293 INCHZQLOTFGERK-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247828227 MNLZTOQXIPHYJW-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(O)cc1O 2248033488 RVMITAPAXHIOFH-UHFFFAOYSA-N 422.287 1.652 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NCC2CN(Cc3ccccc3)C2)OC1(C)C 2248062379 ZUDDRFWZQUHHGV-UHFFFAOYSA-N 408.311 1.638 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2255700557 FDEDUOXAQJYOAZ-IRXDYDNUSA-N 420.322 1.636 30 10 HDEE C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703817 BYOQRSPVQMLASQ-MWLCHTKSSA-N 407.750 1.845 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](N)[C@@H](CO)C3)sc2Cl)OC1(C)C 2281971369 VOXRCAATSQURHY-ZYHUDNBSSA-N 400.737 1.482 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282017824 PFIFHCVJORESGY-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)CCCCN 2282053732 XAMWTJQFGBYTHG-SANMLTNESA-N 401.363 1.728 30 10 HDEE CC(C)CNC(=O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335067 KHIWFGCYHGLXHC-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335560 QZCVWJHZJMEDAZ-NSHDSACASA-N 403.331 1.477 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282344820 DLXDHPOBEMWERR-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495288 KJDPBPNMNAAWDP-FZMZJTMJSA-N 401.721 1.783 30 10 HDEE C[C@@H]1OC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282498919 LCJMVQPGCIAZQY-SRVKXCTJSA-N 402.347 1.285 30 10 HDEE CCN1CC(NS(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282505711 HXMSQQBSSWOFCQ-UHFFFAOYSA-N 400.375 1.647 30 10 HDEE CCc1nc(C(=O)N=[S@](C)(=O)C[C@H](C)N)c(B2OC(C)(C)C(C)(C)O2)s1 2282524036 GVFWPFRLPSRXLX-RSNKEIGGSA-N 401.363 1.590 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@@H](CO)CO3)sc2Cl)OC1(C)C 2282611261 IVHARVIQHBHXBM-QWRGUYRKSA-N 401.721 1.828 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282828002 HGJBTMDZGCYOPW-CHWSQXEVSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H](O)C3)c(Cl)c2)OC1(C)C 2282830229 QTAFBKDCGRYGAF-OLZOCXBDSA-N 401.721 1.831 30 10 HDEE CCN(CCN(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830679 YODZPRPYHXODHT-UHFFFAOYSA-N 402.391 1.928 30 10 HDEE CC[C@@H](C)N(CCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836363 IWCLAVUPTZRSRZ-GFCCVEGCSA-N 404.363 1.365 30 10 HDEE CO[C@H]1C=C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282837544 FNQJTGDCJKTMQO-RYUDHWBXSA-N 400.331 1.205 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC([C@@H](F)C(=O)O)C2)OC1(C)C 2284395688 OHYOGYZQJGXNJN-LLVKDONJSA-N 405.278 1.091 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NO[C@H](C(=O)O)C3CC3)c2)OC1(C)C 2284415497 OPORCNFJHAAMIV-LBPRGKRZSA-N 403.287 1.120 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CCC(=O)O 2284415576 PCMMQRSWVGZCPN-JTQLQIEISA-N 403.331 1.887 30 10 HDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)cc(C#N)c1 2285472458 JRJJHVVRKYWUPM-LBPRGKRZSA-N 401.460 1.594 30 10 HDEE CC1(C)OB(c2cnc(O[C@@H]3CCN(S(C)(=O)=O)C3)c(Cl)c2)OC1(C)C 2285599347 ICHXZUJXQXETPT-GFCCVEGCSA-N 402.709 1.447 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccncc2)o1 2330752595 XGOTURJVQMDFLR-UHFFFAOYSA-N 414.447 1.863 30 10 HDEE C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2334273853 IZXIPPLLYIZTAB-WCABBAIRSA-N 407.750 1.748 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3C[C@@H](N)[C@H](O)C3)sc2Cl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c1cccc(F)c1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 42274701 JCHXYCUXFFBNRG-UHFFFAOYSA-N 403.435 1.709 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 102753734 ALZLJKPIUUDION-LYHOESIGSA-N 411.462 1.175 30 10 HDEE CC[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1OCC(=O)N1CCCC1 409473215 BHVPCQQKNMCQDV-WBVHZDCISA-N 410.478 1.979 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 410076316 XVAGDMBGVNGOIP-CYBMUJFWSA-N 407.492 1.638 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2C#N)C1 428368696 FRADBVZOBAHPSY-GFCCVEGCSA-N 404.414 1.765 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438081658 ZYEOBDJZVZLPCC-HKUYNNGSSA-N 418.519 1.555 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cn(C)nc1C(F)(F)F 439682178 LJHUBCAXSJAOKP-JTQLQIEISA-N 415.397 1.294 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)O)C[C@@H](OCC)C2(C)C)cc1 439713967 APWQYHVQNHJRID-BEFAXECRSA-N 410.492 1.539 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](c3cnn(C)c3)C(F)(F)F)CC2)c1C#N 446463891 NTQRBIKYQKLCMJ-CQSZACIVSA-N 410.404 1.469 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CCC[C@H]1[C@@H](C#N)c1ccccc1)c(=O)n2C 464818921 AEYOJQBNQDOMCI-ROUUACIJSA-N 406.490 1.596 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(C[C@@H](O)COc3ccc(CC#N)cc3)C2=O)C(C)(C)O1 480393378 DHYTYSMVLCXGJI-VFNWGFHPSA-N 401.463 1.760 30 10 HDEE C=CCCCN(C)S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 481063256 SPZCWBJDGBRTQM-UHFFFAOYSA-N 402.538 1.603 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H](N2CCCC2)C1 481785848 VCSRHZRUEBWWST-AEFFLSMTSA-N 404.536 1.702 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CN2CCOCC2)CC1 501066512 FJSSZWISGJNQDC-OALUTQOASA-N 423.355 1.324 30 10 HDEE COC(=O)CCC(C)(C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 511067432 CNERNPAMYNNWMK-OAHLLOKOSA-N 400.435 1.611 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c1 513062102 BVCPHIBJDGELQX-LJQANCHMSA-N 420.469 1.957 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)c1 517696892 GYXMYBWJTUTUBS-GOSISDBHSA-N 407.536 1.478 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sccc2OC)c1=O 531938895 QAHBUWKFKMYTFW-UHFFFAOYSA-N 418.540 1.889 30 10 HDEE CN1C(=O)C[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 533637020 IEONMRWILQJSOE-WBVHZDCISA-N 408.842 1.996 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 542264278 AHZFLHBYPGWLMX-IERDGZPVSA-N 400.479 1.950 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 543110931 LQPMMIBIEVPOJC-KSSFIOAISA-N 404.833 1.809 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)[C@@H](C)O)cc1 543715472 NSPRCEDMXBIIKC-XWIAVFTESA-N 405.451 1.543 30 10 HDEE COC(=O)c1sc2[nH]c(CN3CCN(c4cccc(C#N)n4)CC3)nc(=O)c2c1C 546212624 AAOOKIGKIICLPB-UHFFFAOYSA-N 424.486 1.669 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccccc2)CC1 549537629 YNZGFBJBSBAPCY-UHFFFAOYSA-N 417.517 1.813 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 550240533 PCRXKZQEBQHGAH-UHOSZYNNSA-N 412.490 1.732 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 558995339 XQWUXXNSWKESJJ-SJORKVTESA-N 411.510 1.658 30 10 HDEE N#Cc1ccncc1N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 572579906 UYIAPUFZGOZWRW-UHFFFAOYSA-N 424.530 1.121 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)cc1 573132108 IRTMBBAEWQUIDU-SQNIBIBYSA-N 404.492 1.496 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1C#N 575972781 IUNHIAWCHUYFPO-OAHLLOKOSA-N 424.276 1.998 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N[C@@H](C)CC)cc21 586314399 PAVSLJVBOLKKOU-DYNSBWQTSA-N 406.504 1.833 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)nc1 586860512 IDWDOBMGCDPRMD-UHFFFAOYSA-N 406.421 1.365 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)cc1C 588830031 NKTBQKZOTSJNSS-HXUWFJFHSA-N 412.471 1.811 30 10 HDEE N#CC1(CC(=O)NC[C@H](O)COc2ccc(I)cc2)CC1 590304111 YVIGQVUXJHYDTI-LBPRGKRZSA-N 400.216 1.841 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)nc1 608983931 MYRHPFCYUGVOSJ-SFHVURJKSA-N 406.494 1.680 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 711725774 KTIOCAGXNWAPDX-MRXNPFEDSA-N 403.342 1.794 30 10 HDEE C#CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 729334819 WCFJZSCFZYNNBI-ABSDTBQOSA-N 404.532 1.558 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1N1CCSCC1 732705731 FNLJZXSXMKPALR-SFHVURJKSA-N 413.547 1.686 30 10 HDEE C=C(COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 734034348 HZSUANAVSYRJIB-HNNXBMFYSA-N 412.420 1.410 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 744772188 ADYAHMAKENKKAP-BWRBCVJASA-N 413.540 1.663 30 10 HDEE COc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C#N 746876192 CGBMQYXAKLXYQH-CYBMUJFWSA-N 412.471 1.700 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 748285061 GDYLDLHUBUSQLV-HXUWFJFHSA-N 403.458 1.951 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 749283968 KMASDALEXFVGBA-IBGZPJMESA-N 423.966 1.107 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C(=O)OC)c2cccc(C#N)c2)c1 751633665 FYIYGSMFEDGOOV-INIZCTEOSA-N 406.391 1.677 30 10 HDEE C[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccc(S(=O)(=O)N(C)C)cc1 752607667 BEMCWCBJYQEDTC-OAHLLOKOSA-N 420.491 1.240 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCN1C(=O)c2ccccc2C1=O 753881110 GYWONFSXIDZRSH-UHFFFAOYSA-N 411.439 1.581 30 10 HDEE Cc1c(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)cccc1S(N)(=O)=O 754328707 BVVOOEFQGGSDSC-CYBMUJFWSA-N 405.457 1.538 30 10 HDEE CCOc1cc(Cl)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 759511909 CLGSWPPZHFZSPZ-NXVVXOECSA-N 406.826 1.320 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)Cc3ccc(Cl)nc3C)CC2)o1 766948735 GOQRKFIONUKNAK-UHFFFAOYSA-N 417.853 1.646 30 10 HDEE C#CCN(C(=O)NCc1cc(CC=C)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774188122 SYGWCYAKJXZPPW-KRWDZBQOSA-N 406.504 1.764 30 10 HDEE C#Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cn1 780568332 XNEFLROLYUWBNU-LJQANCHMSA-N 406.490 1.058 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1c(Cl)nc2ccccn12 780752768 YUFQILAJWPBXPA-UHFFFAOYSA-N 407.843 1.220 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780906894 RBOJDQAEUKNFGV-IBGZPJMESA-N 401.488 1.937 30 10 HDEE COc1nn(C)cc1NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 789861320 AFNMOHOHQPQAFF-CYBMUJFWSA-N 405.480 1.521 30 10 HDEE C[C@@H](C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)n1cnc(C#N)n1 798741460 QXESRKMJKDHFJM-LBPRGKRZSA-N 405.336 1.441 30 10 HDEE CCN1CCN(c2ccc(NC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)CC1 798743584 IXHPWDXPWIAQHK-OAHLLOKOSA-N 411.466 1.035 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 805268349 RKFMGWMSLSAXOE-YOEHRIQHSA-N 421.519 1.987 30 10 HDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809829296 DFFFOJRGUZXELF-OAHLLOKOSA-N 404.492 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(c3ncccc3C#N)CC2)C1 809986256 ANILXKJEOOZQPV-INIZCTEOSA-N 403.458 1.807 30 10 HDEE COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1 816694959 RQHJLBISPBQDMJ-QGZVFWFLSA-N 419.459 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2)C1 1116951251 AZDVZJNNFFGXPB-FUHWJXTLSA-N 419.551 1.912 30 10 HDEE N#C[C@@]1(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCCOC1 1129050673 RQRFKEYRKBOJRH-QFIPXVFZSA-N 412.534 1.794 30 10 HDEE CC(C)(C)OC(=O)CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 1130532231 BCBGCPYTRQOHHM-UHFFFAOYSA-N 407.492 1.448 30 10 HDEE CN(CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OCc1ccccc1 1134275877 NJQPQCLCTAKIBB-LPHOPBHVSA-N 405.476 1.042 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1136574924 HBVQBGYRTNJLCI-NJNPRVFISA-N 420.554 1.952 30 10 HDEE COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1137846197 DKLWEVVJTHBMNX-IFXJQAMLSA-N 407.492 1.353 30 10 HDEE Cc1nc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)[nH]c1C 1155609395 DRTVTKUAVZFJDV-OAHLLOKOSA-N 415.519 1.971 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)ccn(C)c1=O 1156680086 RYRIYPMVYVZYNN-ZDUSSCGKSA-N 414.890 1.089 30 10 HDEE N#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1157962361 BCOYUQSAJMZQNW-LBPRGKRZSA-N 405.398 1.107 30 10 HDEE C=CC[C@@H](C(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1158189079 FTGVWNAPRYXWEX-MRXNPFEDSA-N 410.478 1.639 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1163462067 NPULPKUMDNMWRZ-MSOLQXFVSA-N 421.519 1.319 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 1177347208 XPIVAERELYQCKF-NJZAAPMLSA-N 419.425 1.841 30 10 HDEE Cn1cc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Br)n1 1192081419 YPHVIPZYCHWGAH-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)CC1 1198370343 AVYGQCBXJURWSZ-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)N(C(=O)CC)CC3)c1 1208442165 CTAXYZQFYXGCEG-UHFFFAOYSA-N 411.483 1.884 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)c1 1208443508 WINLGJJIKHKJMZ-UHFFFAOYSA-N 421.519 1.495 30 10 HDEE CN(CCNC(=O)N1CCC2(CC1)CC(=O)C=CO2)S(=O)(=O)c1cccs1 1224470835 UBLCXXASHWXWCF-UHFFFAOYSA-N 413.521 1.416 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(OCC3CC3)c2)cc1 1264980625 HONUSMHCILVHKX-UHFFFAOYSA-N 414.487 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1286279385 LMORGXNZSURNSH-ZDUSSCGKSA-N 406.468 1.203 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286348456 XBBTXIXSATZONS-QGZVFWFLSA-N 423.521 1.763 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@H](C)O2 1286360204 DKFGXJSSEYRSJW-ILXRZTDVSA-N 417.535 1.890 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(CS(C)(=O)=O)CC1 1286367385 LXOYIBCTIMALEY-UHFFFAOYSA-N 416.503 1.611 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1286493607 ODQGPJYKSDJTBY-OALUTQOASA-N 414.554 1.088 30 10 HDEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286695301 TZJCEHNKWKSRGQ-VQIMIIECSA-N 412.556 1.983 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286784706 QXDXVDOYDXKIMM-LJQANCHMSA-N 410.522 1.548 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1286821006 XYGLULGTUOYPRW-IBGZPJMESA-N 410.540 1.532 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1288126148 NRCNNLLRCYZSHP-MAODMQOUSA-N 416.526 1.884 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)C1 1292420716 WPZAOILIOCCKDO-JALFLYODSA-N 418.538 1.753 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1c(Cl)cccc1Cl 1292882175 YQKMCAZYQHHZCY-LLVKDONJSA-N 415.258 1.543 30 10 HDEE CC(C)CCN(CCC#N)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1293066146 ZBDHKYIXBWBYEH-UHFFFAOYSA-N 414.915 1.506 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1300404562 ZYULQAPCIPIMRS-UHFFFAOYSA-N 407.496 1.290 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N(C)C 1300658236 ZMASAFAAGBAHON-UHFFFAOYSA-N 401.467 1.137 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)[C@H](C)CC 1300665178 YISUQJKZTMUXGD-VFNWGFHPSA-N 417.510 1.889 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCn2cncn2)CC1 1300706221 JHTFCPVZXDXPNT-UHFFFAOYSA-N 420.521 1.119 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[S@@](=O)CC)CC1 1300723464 UHRPEJUJJMWAJD-NDEPHWFRSA-N 405.568 1.670 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1301052693 DBQIPAUOKWBXHC-GJZGRUSLSA-N 405.430 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(=O)OC)C1 1301492925 RORRLUOKSMZFPZ-MRXNPFEDSA-N 420.473 1.795 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1301585881 CWBWOWZJUYPANE-INIZCTEOSA-N 411.572 1.131 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ncnn1C(C)(C)C 1301809939 RRXRDUNDXCWXHY-INIZCTEOSA-N 416.530 1.933 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1302174695 RFRQLAFZRVEOHU-LJQANCHMSA-N 424.505 1.585 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1302457128 MMZGGPKQKRUNEF-MRXNPFEDSA-N 408.415 1.340 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1302783661 HQKNKABBSVGHPW-LJQANCHMSA-N 411.483 1.713 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1303496350 IEUVLJRVBQLRQP-AYOQOUSVSA-N 409.462 1.176 30 10 HDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1Cc1nncn1CC 1314405581 DQQKSVICFLTZJM-SFHVURJKSA-N 422.493 1.924 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1337651465 YSDCMHOTJNDLCK-MRXNPFEDSA-N 414.549 1.827 30 10 HDEE CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1347705978 PJNDEIMMERPEEC-SYLQMPFCSA-N 414.491 1.910 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1(C#N)CCOCC1 1349418543 UYEHGTJSAHEZRL-UHFFFAOYSA-N 423.491 1.365 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1355919987 UYCGMLSGYUTVAM-UHFFFAOYSA-N 414.263 1.833 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1358937902 KVYGCQAHKGLBCP-HNNXBMFYSA-N 401.536 1.763 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1cccs1 1358969008 DWPPSBJCOXQDRX-HZPDHXFCSA-N 419.576 1.901 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cn(CCCC)nc1C 1358981327 FVVAUJDQAZRMLJ-UHFFFAOYSA-N 407.522 1.827 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCc2ccccc21 1359022881 PPDQWUIDEVERRX-QFIPXVFZSA-N 404.474 1.655 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359159825 GEBDAHZDXYWMMQ-YWZLYKJASA-N 418.498 1.075 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1359298491 BJSQNJZOJIBVES-UHFFFAOYSA-N 401.540 1.858 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359300254 XHOPSOSFLWVYQP-QGZVFWFLSA-N 402.543 1.396 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cnc(CCc3ccccc3)s2)C1=O 1436245618 DHEVATFZXBFICN-UHFFFAOYSA-N 413.455 1.948 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)COc1cccc(Br)c1C#N 1439205149 MJLVJKRLUOFVGK-RISCZKNCSA-N 411.252 1.926 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)nc2)CC1 1443351605 BKJBJWFGRJACGJ-UHFFFAOYSA-N 415.494 1.326 30 10 HDEE C#CCN1CCCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1444335632 BAKJGMMOYJZQOT-KTKRTIGZSA-N 410.518 1.068 30 10 HDEE C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1449321753 GGGCBESZHMJPQV-HKUYNNGSSA-N 405.539 1.959 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](N2CCNC2=O)C1 1462964846 HMCQMWAMLWQTQV-ZDUSSCGKSA-N 413.297 1.499 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)CCC)c1 1464679896 UAWPHXMKGJVOSW-KRWDZBQOSA-N 408.545 1.867 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1466320144 QYVZYBJMKKJHFA-MRXNPFEDSA-N 410.492 1.775 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2nc3c(s2)COCC3)C1 1469730465 MJAJWROMARRRLU-WCQYABFASA-N 407.496 1.774 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](NC2CCOCC2)C1 1471636075 GXBZYSLYZFYCDB-IBGZPJMESA-N 410.522 1.910 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)cc1 1471986701 HNNLNBYBAYKBCP-KRWDZBQOSA-N 421.519 1.272 30 10 HDEE CNC(=O)Cc1noc(CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1473847869 GHWKDHBYGLOCRY-KNVOCYPGSA-N 422.276 1.961 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(C(=O)OCC)([S@@](C)=O)CC2)cc1 1476013368 RBGWWDNPSAAALM-GDLZYMKVSA-N 421.519 1.911 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1479508148 DYPSJAXTKJRNEH-LSDHHAIUSA-N 410.434 1.634 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCO1 1504710727 CQBKVZNUIGJZEX-SFHVURJKSA-N 408.466 1.350 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn2ccccc12 1504997947 GXHHCEIDEJXQRC-DOTOQJQBSA-N 411.466 1.427 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1505314540 FYRMKPFQINQYKQ-UWJYYQICSA-N 412.469 1.930 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCCCC1 1507713356 HERRTVLDWUCNQR-UHFFFAOYSA-N 416.570 1.751 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnn(C)n1)C1CC1 1507988672 OTDIVCWCFCGYPM-UHFFFAOYSA-N 414.495 1.075 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](OC)C1 1508095584 YGRUBPZURMBMIY-HNNXBMFYSA-N 403.458 1.914 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOC[C@H]2OC)C1 1508107605 BDWUHQLKBPBBDU-GVDBMIGSSA-N 407.515 1.249 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CC2)C1 1510289666 FKOMUAUIPJCVTH-GOSISDBHSA-N 420.539 1.108 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1511968438 FWMLVTUIDOFHHZ-OAHLLOKOSA-N 423.521 1.646 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1([S@](C)=O)CC1 1513930907 FMKVMOSEPZWPJG-LJAQVGFWSA-N 412.563 1.945 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1516220327 FDJYWIUAOPVNOY-JXFKEZNVSA-N 406.531 1.247 30 10 HDEE COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1518271254 GYGSUZJWGJYPJE-HNNXBMFYSA-N 407.434 1.529 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccn(CC(F)(F)F)c2=O)[C@H](C#N)C1 1525127508 WREQTLASIPWJDE-GFCCVEGCSA-N 414.384 1.996 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1OC 1526649808 YARYKQUUCINUNG-CYXJOQHWSA-N 407.488 1.689 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCc4c(C#N)cccc43)CC2)c1 1529231608 GUGHRXSZSZGQBF-UHFFFAOYSA-N 424.526 1.908 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@H]2CCCN2C(=O)OC(C)(C)C)C1=O 1533234911 ACDJPPAUMXRJLY-AWEZNQCLSA-N 422.482 1.259 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1539126197 UIAUAKQBKAJLMW-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNc2ccccn2)CC1 1539446967 MHXZVJCOWGJHAW-LJQANCHMSA-N 409.538 1.825 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539519095 AWGIFGBRANWFDP-FUHWJXTLSA-N 401.536 1.870 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1540868668 NDGYOBJGMCELAQ-UHFFFAOYSA-N 421.505 1.441 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1540868789 RSYKTVLCIOFOTR-UHFFFAOYSA-N 416.507 1.209 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1540962144 IXGSVETYLODCQR-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1541296037 XTNOPUPOVQBUQL-RTBURBONSA-N 404.446 1.855 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1547495761 PAMMHYDKCQXRFI-FQEVSTJZSA-N 423.521 1.904 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1554827014 SEPXAEWQPAJMMD-CJNGLKHVSA-N 411.466 1.538 30 10 HDEE COCCn1cc(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cn1 1555568878 GQNQDOQLDLVHPT-MRXNPFEDSA-N 411.441 1.704 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1559023715 GKXAYYXRONZUHR-UHFFFAOYSA-N 404.474 1.641 30 10 HDEE O=C(CN1CCS(=O)(=O)[C@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1559836488 SXIJFEOZKBSBOE-SJORKVTESA-N 414.449 1.825 30 10 HDEE Cn1ncnc1C1(O)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1560114905 GSLQSGQRBYSSOI-UHFFFAOYSA-N 421.423 1.285 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1561718759 QZXKOZCZZRVMLR-GFCCVEGCSA-N 415.309 1.777 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(C(=O)OCC)CCCOC2)c1 1561795430 GMZBDGUUYGVIRN-IBGZPJMESA-N 410.492 1.241 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531416 SBAVYEWTTIBSJZ-ILXRZTDVSA-N 408.503 1.239 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)c1 1570237152 UMODAXRNRZIWHD-UHFFFAOYSA-N 402.411 1.722 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c1 1570797699 DMLILIHDMGLXAS-SFHVURJKSA-N 424.494 1.811 30 10 HDEE C=CCC1(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CCOCC1 1583952742 JNGUALCUFSAMBU-UHFFFAOYSA-N 410.492 1.383 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)Cc1ccc(OCC#N)cc1 1584765729 PKDWRVMQSZDGHO-NRFANRHFSA-N 419.478 1.246 30 10 HDEE N#Cc1csc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)n1 1585407335 JHTRXMJXIPOXBH-UHFFFAOYSA-N 404.249 1.804 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1585649911 XBUCTNCXGWOWPM-UHFFFAOYSA-N 400.298 1.357 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1587625830 CLXQHRDKPMGIQT-QFBILLFUSA-N 407.522 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1587668404 YWOMSGCASJXHMX-MRXNPFEDSA-N 420.477 1.361 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NCCC 1587975148 PPYAFVHTCGKVAN-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1588167412 VZHIWAQWBPAKBI-ZBFHGGJFSA-N 402.472 1.496 30 10 HDEE C[C@@H](Sc1ncccc1C(=O)N1CCN(C(=O)CC#N)CC1)C(=O)N1CCCC1 1588263755 XFEODYMJNCDAAG-OAHLLOKOSA-N 415.519 1.383 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1588908346 PUAPIZVPSHQHAY-GAJHUEQPSA-N 423.517 1.451 30 10 HDEE C=CCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1594775365 SFVVSVKPZBFEAH-JXFKEZNVSA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(OC)C1 1595569363 FWSJNUBOWQXVMK-HXUWFJFHSA-N 401.515 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1595766185 MRYZKXQXQUFDNP-UHFFFAOYSA-N 409.556 1.416 30 10 HDEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1612775475 AGCUISUXNYJHGZ-FUHWJXTLSA-N 412.542 1.918 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)[C@H]2CCCN1C2 1614686209 YPNYJZIHRSAXIZ-OALUTQOASA-N 400.328 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CC=C(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1618753429 UTHQTBDHZWHTDI-UHFFFAOYSA-N 417.466 1.284 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 1623589723 ZSJLHGGTRSMXQT-UHFFFAOYSA-N 406.439 1.615 30 10 HDEE COc1cc(OC)cc(OCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1629739960 XZHVEVQBFDPJPV-UHFFFAOYSA-N 422.434 1.949 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)ccc1F 1631993139 VKYKJVKELGAMEC-JXQWACKNSA-N 400.497 1.416 30 10 HDEE C#CCN(CC(=O)N1CCN(S(C)(=O)=O)c2ccccc2C1)C(=O)OC(C)(C)C 1633448685 VNOFLMPFDCCSCA-UHFFFAOYSA-N 421.519 1.665 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1633640971 LSYNBSNRWMTWSA-AWEZNQCLSA-N 408.203 1.643 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)Cc3nc(C4CC4)n[nH]3)c(C#N)c2N)cc1 1634947382 RIACHSADHXUMPM-UHFFFAOYSA-N 404.478 1.922 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCN(C(N)=O)C2)C1 1634979571 KCFAUQMPWSVMIX-NSHDSACASA-N 406.284 1.274 30 10 HDEE C#Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(Cl)c1 1636512701 PGDSRMUBYJXSQA-NSHDSACASA-N 405.863 1.726 30 10 HDEE C#C[C@@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)C1CCOCC1 1637129156 YCUPRABLLMOFLP-GOSISDBHSA-N 405.520 1.433 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]1(CO)c1ccccc1 1637630336 HBMJAUNARJALIU-OAQYLSRUSA-N 413.499 1.625 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCn4nncc4C3)C2)C1 1638486015 MUKAVQIQVCYBIJ-CHWWFWEZSA-N 400.483 1.797 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CCCO2)cn1 1638859695 HDAXEUFPCMJHCX-RBBKRZOGSA-N 408.506 1.845 30 10 HDEE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1639123247 XISTZJHKRBPCBF-QZTJIDSGSA-N 401.463 1.236 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1(C#N)CCCC1 1644335561 TWCNGSFFIDQKMH-UHFFFAOYSA-N 407.492 1.530 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1648342766 NURZPQRZANETND-MGPUTAFESA-N 401.488 1.944 30 10 HDEE CCc1ccc(C(=O)NCC#C[C@@H]2CCCCO2)cc1S(=O)(=O)N1CCOCC1 1653545169 XCBHLCDLKTVRIP-IBGZPJMESA-N 420.531 1.572 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1654229470 NQAWKTAAVWLRFS-OXQOHEQNSA-N 420.535 1.111 30 10 HDEE COC(=O)C(C)(C)CN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)CC(C)C 1659954566 KSTMFPLUBGPGIV-UHFFFAOYSA-N 419.526 1.661 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OC 1664237439 ASKWRPYQUJNTOW-NSHDSACASA-N 402.856 1.847 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1668875987 URBJVGXZYPKSHV-MRXNPFEDSA-N 416.482 1.400 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1670156844 KUVQDQKNVHDCQP-CYBMUJFWSA-N 404.282 1.217 30 10 HDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672351946 AJDIFSIBRRZJEO-OALUTQOASA-N 423.517 1.605 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 1677458735 LGNKONWVEUJWMU-UHFFFAOYSA-N 400.523 1.294 30 10 HDEE C#C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@H]1CCCO1 1680314301 MSTHGQUXXZHHTL-JJXSEGSLSA-N 417.428 1.425 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1681598205 QAELLEPKAKYIEL-IBGZPJMESA-N 418.563 1.508 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3cn(C)c4ncccc34)CC2)c1C#N 1687365783 KSZBTJSKUFMDOZ-UHFFFAOYSA-N 406.494 1.561 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1689852893 MDENDSVTSCFWAZ-DOTOQJQBSA-N 423.583 1.895 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1689853523 VBGCARDOHUUGLH-ULQDDVLXSA-N 407.540 1.425 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689985853 CVIOGHYHFPKABC-OXJNMPFZSA-N 419.551 1.317 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689986014 GYDHNDWYQXBTDY-HUUCEWRRSA-N 406.483 1.746 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690125916 QFJMTBPPHDMGMG-JTSKRJEESA-N 413.497 1.303 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690532305 LZTXUIVMIXOICI-QGZVFWFLSA-N 419.551 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C)C1 1690669841 QDWMGDAIPICKSL-LBPRGKRZSA-N 404.496 1.250 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1690678555 ZWEXNBHFXIDJDS-HZPDHXFCSA-N 405.499 1.206 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1696918782 GYRDEOCZDSWKHT-NRFANRHFSA-N 409.494 1.305 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1705547000 PNUOSTIKKBBYLL-QFIPXVFZSA-N 411.506 1.750 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1705628899 RVWZMLSLPAFLBM-OAHLLOKOSA-N 424.473 1.593 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1705638316 GJMZDHFACJKVJB-ZIFCJYIRSA-N 400.527 1.046 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(=O)OC)C1 1705696004 DJUBLLGOADHQEJ-MHORFTMASA-N 422.526 1.983 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705701342 BAYRQHYRFASKFC-FAJBIJEISA-N 414.510 1.956 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1705710953 VIDKZABYIFAKGH-UONOGXRCSA-N 412.560 1.205 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1705745070 ZLJXZCSFCVCKRS-UHFFFAOYSA-N 414.901 1.762 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705830483 QUMIBIRBHPYJII-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1705904184 HVOSEAVBYWUBSJ-UHFFFAOYSA-N 406.531 1.978 30 10 HDEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1706056886 ZNLRCOHGUBUOCX-UHFFFAOYSA-N 410.482 1.582 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)C1 1706935111 MHTWCWVCNAVUFZ-FRQCXROJSA-N 407.540 1.879 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](F)COC 1710734465 DHVVBSJWJADWAT-HUUCEWRRSA-N 418.477 1.176 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1712639600 IHRWMGRQYZFTJM-UVFQYZLESA-N 422.505 1.749 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCCCCO)cc1 1712881169 XJQOTUWZRYPEIM-GOSISDBHSA-N 424.505 1.702 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722330239 QQEUVNFNYQXYRK-UHFFFAOYSA-N 417.539 1.399 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCCC2)CC1 1722432742 CMTUUPLMUXYJSS-JOCHJYFZSA-N 416.570 1.171 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722441916 UPEOZPCLIDKNDL-HSZRJFAPSA-N 422.533 1.133 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1722632895 LLFKBRZYGYKUCY-UHFFFAOYSA-N 409.288 1.517 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722703240 XUZGUIJZOZXGMJ-VXNCWWDNSA-N 420.558 1.223 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)nc2)C1 1722718790 MYDVXTOJQNJDKX-ZWKOTPCHSA-N 417.535 1.713 30 10 HDEE COCCn1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cn1 1730772520 OGGIBBNVLXXZAN-APWZRJJASA-N 403.462 1.505 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1730874288 INLGMURKSOZBHD-NCXUSEDFSA-N 420.558 1.851 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCN2CC=CCC2)c1 1731179863 ABENNSPYEHWMND-UHFFFAOYSA-N 412.519 1.313 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CCO1 1731189536 MHTURRZCNXDPNA-DLBZAZTESA-N 402.499 1.555 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740574540 LRKCPXXSUIBDET-DNVCBOLYSA-N 421.523 1.015 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)n1 1740600664 MWXPONLIXVXJFL-KRWDZBQOSA-N 414.510 1.351 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740625484 FXWFVMBXPHKFDA-ROUUACIJSA-N 423.583 1.487 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nnc(C)s2)CC1 1740689738 ZTPWNRMHGWEDHQ-UHFFFAOYSA-N 416.555 1.160 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1740950887 LQYASAVBYFYWQY-IAGOWNOFSA-N 418.542 1.362 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748689326 AILBIGYVMNCAFI-JKSUJKDBSA-N 414.510 1.842 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1748698415 GVIHMSYALFMQFP-VDGAXYAQSA-N 421.567 1.699 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748708035 SHLLQLLERFANRN-QGZVFWFLSA-N 409.494 1.560 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1748747330 GJTZTIRFTKUIIQ-HUUCEWRRSA-N 401.467 1.659 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1748784968 WMAOVJZSASJCRM-UHFFFAOYSA-N 416.489 1.835 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1748818995 IEXAHMIYQGRAIY-WBVHZDCISA-N 419.576 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1748824642 FYDYNFZRBBMNRG-UHFFFAOYSA-N 412.494 1.065 30 10 HDEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1748899129 KZXYTFFMFAUQLV-BBRMVZONSA-N 411.466 1.680 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CC1 1748989094 FBWPVKWEBIBQNM-IBGZPJMESA-N 417.579 1.826 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOCC2(C)C)CC1 1748989723 CIDTWHSEFDVSPA-IBGZPJMESA-N 416.570 1.038 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCCC2)CC1 1748991211 SQGCUAYXCOWJKD-SFHVURJKSA-N 414.554 1.581 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749373617 PEYUFVHWPPLBGT-MRXNPFEDSA-N 415.542 1.559 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1749710512 XVARCZRIGVQOQG-AEFFLSMTSA-N 415.494 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1749732053 OHQPZBAAVRPPET-UHFFFAOYSA-N 410.540 1.926 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1749954495 PYFDILNKKYWEFY-QFBILLFUSA-N 424.521 1.555 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1760177364 PERFFUOXMPKRKY-ZCXUNETKSA-N 411.491 1.230 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760192422 UMRVNMONROWZOR-MRXNPFEDSA-N 419.551 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1760204499 RTFGGKSSBJVBGZ-UHFFFAOYSA-N 404.453 1.526 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1760227883 OVUVDOVSOKOTDY-KNQAVFIVSA-N 418.586 1.416 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760259499 CLNPWKGVWUQTAZ-UHFFFAOYSA-N 423.550 1.688 30 10 HDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)CC1 1760311087 KOWVHKLCYFCIRM-UHFFFAOYSA-N 411.329 1.869 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760401396 IIIHYGFDTTUVAM-LPHOPBHVSA-N 410.540 1.124 30 10 HDEE C=CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760473717 DEZSGDVJVLJDHU-MRXNPFEDSA-N 410.540 1.614 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1760523184 OULUFBJVFFYMJF-ZDUSSCGKSA-N 411.432 1.648 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(COC)CCOCC1 1764845360 TZESQPKZQREQFH-UHFFFAOYSA-N 412.494 1.819 30 10 HDEE COCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770930369 JXAZYGHPGNDODG-VXPUYCOJSA-N 414.510 1.620 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)CCn2nnc3ccccc3c2=O)CC1 1849214574 YIKNUULWEODZLM-UHFFFAOYSA-N 418.457 1.766 30 10 HDEE COc1ncc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c(C)c1Br 1849852301 UQZBCBXLTQECLK-UHFFFAOYSA-N 417.267 1.784 30 10 HDEE Cc1cn2nc(C(=O)NCCN3CCC(C#N)CC3)cc2c(N2CCSCC2)n1 1850430944 LZCDFVMJFLXJLJ-UHFFFAOYSA-N 413.551 1.556 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851351561 WHQSJXMEBMZSGS-RBUKOAKNSA-N 418.501 1.881 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)CCn3nc(-c4ccccc4)ccc3=O)CO2)nc1 1851426074 WZGZVDJZXMAVED-GOSISDBHSA-N 417.425 1.931 30 10 HDEE COc1c(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)nnn1Cc1ccc(C)cc1 1851511289 NAHILESTRSHARC-KRWDZBQOSA-N 420.429 1.887 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCC(COc3ncccc3C#N)CC2)c2ccccc21 1851611469 PANZZTMBPOYDBE-UHFFFAOYSA-N 405.458 1.924 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#Cc3cnn(C)c3)CC2)cc1 1852528997 UTGXAOOBEGNMKU-UHFFFAOYSA-N 400.504 1.297 30 10 HDEE C=CCN1C[C@H](C(=O)OCc2cnc(S(C)(=O)=O)n2Cc2ccccc2)CC1=O 1853053444 QWDSLLFYEWDTLE-MRXNPFEDSA-N 417.487 1.413 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@H]4CCCS4)C3=O)CC2)CC1 1853743420 MWKSCUYOCZMARG-QZTJIDSGSA-N 418.563 1.484 30 10 HDEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1854011473 DVMRHUZHBJJCGZ-QZTJIDSGSA-N 403.504 1.127 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccccc3)C(=O)C2)cc1 1854031319 AQBPTTGMUPOBQA-RTBURBONSA-N 409.467 1.721 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854109532 WBNDLAQPDVYIMM-QZTJIDSGSA-N 418.519 1.372 30 10 HDEE Cc1ccn2c(=O)cc(CN3CCN(C(=O)CC#N)C(=O)C34CCCCC4)nc2c1 1854350226 SLFZGEWYQOAMMG-UHFFFAOYSA-N 407.474 1.790 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)C1 1854658573 IXTFSDSUJBRYLI-JKSUJKDBSA-N 404.536 1.862 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cccc4c3OCCO4)[C@H](C)C2=O)CC1=O 1854941118 OMBHKRJWNAWNDZ-WBVHZDCISA-N 413.474 1.052 30 10 HDEE CCn1nc2c(c1C(=O)N1CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC1=O)CCC2 1854948836 AXNKYCKEBJIHCK-DLBZAZTESA-N 412.538 1.443 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)c4ccccc4S3)C(=O)C2)C1 1855028410 XVPJKOMQVVNJHT-DNVCBOLYSA-N 412.515 1.392 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2cc(-c3ccc4c(c3)OCO4)nn2C)C1 1855749108 OXYAVFPTJQRCTD-CQSZACIVSA-N 409.446 1.650 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@H]1CCS(=O)(=O)C1 1855946732 DMABPFWREKXTSY-OCCSQVGLSA-N 409.895 1.266 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1CCC#N 1856197867 AFSLOWHZHKVCGM-WMZOPIPTSA-N 418.519 1.203 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856399589 PLQMGUHIIPXQNG-HNNXBMFYSA-N 408.462 1.056 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)C2CC3(CCOCC3)C2)C1=O 1856725249 KEVMRJBODSBMMO-ROUUACIJSA-N 403.523 1.430 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2csc3c2CCOC3)C1=O 1856749589 GXNFYWFRTPFNRB-IRXDYDNUSA-N 417.531 1.671 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1856809468 XVKCSRLVTHOWEH-GXTWGEPZSA-N 414.867 1.222 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3c(CC)nc4c3CCCC4)C(=O)C2)C1 1856828145 NWDRAWRUDYKORO-SFHVURJKSA-N 413.566 1.646 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)C3CC(=O)C3)C2)CC1 1857136000 CZGXVYYGLBFHNP-MRXNPFEDSA-N 410.474 1.398 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)N[C@@H]2CCCCN2[C@H]2C(=O)CSC2=O)c1 1866233303 XXQMEBCUDJYECU-ZERCDLRSSA-N 402.472 1.573 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCn3c(C#N)ccc3[C@H]2C)cc(OC)c1OC 1866302968 OTJUXIWHTKWBPX-CYBMUJFWSA-N 412.446 1.719 30 10 HDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870523837 GNLAEVJSQWLJQP-HNNXBMFYSA-N 404.511 1.025 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541311 BMUWVTWEQMOCNH-CQSZACIVSA-N 400.483 1.447 30 10 HDEE C=CCN=c1nc(N2C[C@@H](C)C[C@H](C)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632451 NATIJEIQXVRASC-KBPBESRZSA-N 421.505 1.765 30 10 HDEE Cc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1 1889396689 BLLRTDPDXZRERQ-UHFFFAOYSA-N 413.562 1.941 30 10 HDEE CN(C)CC#CCNC(=O)C[C@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1889599322 QLRYHGALWSUKQI-INIZCTEOSA-N 422.514 1.300 30 10 HDEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@H]3C#CCN(C)C)n2)cc1OC 1890267430 KRDZIJVFYPVCQB-GOSISDBHSA-N 424.501 1.484 30 10 HDEE CN(C(=O)COc1c(F)c(F)c(F)c(F)c1F)C1CN(c2nccnc2C#N)C1 1891514868 IBYMRVFPNCEDKP-UHFFFAOYSA-N 413.306 1.770 30 10 HDEE N#Cc1cccnc1OC1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 1891905304 KQEYTXOIGDGKHI-UHFFFAOYSA-N 405.418 1.378 30 10 HDEE CC(C)(C)OC(=O)N(CCCO)CCC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 1902589103 SLGPSPGPBCVYRI-UHFFFAOYSA-N 410.320 1.747 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1COC1 1985179645 IXVAEVQKEDWAQL-RTBURBONSA-N 414.506 1.763 30 10 HDEE C=C(CNC(=O)c1cnn(C)c1I)B1OC(C)(C)C(C)(C)O1 1991965969 DYHZAJNKJOQKFE-UHFFFAOYSA-N 417.056 1.942 30 10 HDEE C=C[C@@]1(O)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2074504625 NOGAMQCQSNYXSZ-HXUWFJFHSA-N 406.504 1.652 30 10 HDEE O=C(OCc1ccccc1)N1CCOC[C@H](N=C2NS(=O)(=O)c3ccccc32)C1 2106027546 GPNYINJOLWDZDS-MRXNPFEDSA-N 415.471 1.763 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@H](NS(=O)(=O)N1CC[C@H](C#N)C1)C2 2193308042 GPGPMCRUWRBDIP-CAEXGNQWSA-N 402.492 1.545 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@H]21 2199771931 BLLVZWJVGGRFFJ-FDYHWXHSSA-N 402.513 1.679 30 10 HDEE C#Cc1c(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)cnn1C 2217863570 SYVGNLHKZILKJH-GOSISDBHSA-N 404.423 1.168 30 10 HDEE CCCS(=O)(=O)NC1CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2235430362 HSVBWZZYJDGUGI-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)N1CCCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243492057 HXMPHYLWRZVOAU-UHFFFAOYSA-N 404.276 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2245257565 CNXZLSYWEWQIKD-JJGIJDNGSA-N 408.304 1.875 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247858890 QSKRLHZJTXJEDP-CMDGGOBGSA-N 418.303 1.587 30 10 HDEE CC1(C)OB(c2cccc(F)c2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247892284 XKWSHNMMMNWQPH-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2247916806 FCRPMLZBIJCRBJ-AWEZNQCLSA-N 420.319 1.742 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)C1CNC1 2247918515 PKFVAAKOYZMUGH-UHFFFAOYSA-N 410.327 1.642 30 10 HDEE C[C@H](CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(C)(=O)=O 2267567747 MNQUUCHXCWYBJP-SECBINFHSA-N 407.750 1.864 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC(=O)NCC(F)F)sc2Cl)OC1(C)C 2281967088 VGFQLMZWYUOEQT-UHFFFAOYSA-N 408.663 1.812 30 10 HDEE CCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2282015672 NMQVZIZYTCWHOZ-LLVKDONJSA-N 402.347 1.338 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN(C)[C@@H]1C 2282310521 VJMFHUOJPMFPDR-DGCLKSJQSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H]2C[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282319704 XVSARBHMRWLZSX-BETUJISGSA-N 400.375 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](F)[C@@H](CO)C1 2282326323 QRXMMMOBGOPQAZ-NEPJUHHUSA-N 405.322 1.307 30 10 HDEE CNC1(C)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282336488 DXYQIUJTOQXWSD-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCC[C@@H]2N)OC1(C)C 2282346888 ZAFFWJPQWCDSPA-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC(F)(F)CN)c1B1OC(C)(C)C(C)(C)O1 2282416942 CTEHDWMQLOJLGG-UHFFFAOYSA-N 410.317 1.536 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCCCCN)OC1(C)C 2282495397 LUSVRPNVGGRDQI-UHFFFAOYSA-N 402.391 1.986 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282500156 IHWXKKJCIANHCN-JSGCOSHPSA-N 400.375 1.404 30 10 HDEE C[C@@H]1COC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504698 SILGPUIDOPPPRU-YPMHNXCESA-N 402.347 1.239 30 10 HDEE C[C@@H]1C[C@@H](C)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1=O 2282510430 YIUWWCBIQQPZGD-GHMZBOCLSA-N 400.331 1.529 30 10 HDEE Cc1cc(C(=O)N(C)CCCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282596095 AAYYWJINBXEPLW-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)OCCO1 2282672161 FWLKOINUUWTMDU-OAHLLOKOSA-N 402.300 1.996 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CC[C@H](CCN)C3)c2)OC1(C)C 2282848089 IUYKLOJYYIDMSG-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CC(C)[C@H]1NCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851524 DBRFFANMVZAOBZ-DZGCQCFKSA-N 400.375 1.712 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@@H](CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282871278 DMRQOWNJRMBRIX-BETUJISGSA-N 401.359 1.713 30 10 HDEE CC1(C)[C@@H](CN)C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882804 RACJWOKAXMRRNA-BXUZGUMPSA-N 400.375 1.699 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CC3CC3)C(=O)O)c2)OC1(C)C 2284395405 KVPFLQUKDYQJJZ-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE C[C@@H](C(=O)O)C1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284396779 YLVSKMRSWQHAAS-SNVBAGLBSA-N 401.315 1.389 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284404454 YRLBLFQJCMTRGE-NSHDSACASA-N 403.331 1.682 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284411934 QGECYSWVWSQKHI-LLVKDONJSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(O)(CC(=O)O)C3)c2Cl)OC1(C)C 2284420059 WPHVTQFDEFGCNH-UHFFFAOYSA-N 401.677 1.362 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(C)CCC[C@H]2O)OC1(C)C 2286914847 WBKSZWWDVSIPQJ-RHSMWYFYSA-N 401.359 1.877 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccc2)c(C)n1 2296616788 CLLCIRNLWCRLED-HXUWFJFHSA-N 422.485 1.847 30 10 HDEE C#C[C@]1(C)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338824285 YRBGHGMVQPYXNV-OAQYLSRUSA-N 418.515 1.897 30 10 HDEE C#C[C@]1(O)CCN([C@]2(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc3ccccc3)C2)C1 2346595423 KGMTYIZROGVPGW-BVYCBKJFSA-N 400.475 1.947 30 10 HDEE CN[C@H](C#CC(C)(C)OC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363542695 WDDYZQXANYTPRW-CABCVRRESA-N 402.557 1.816 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@H](O)c1nn(C)cc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c1ccc(C(=O)O)cc1)N1CCN(CC(=O)NC(C)C)CC1 21046993 NENLYBDQGDMHCD-UHFFFAOYSA-N 419.526 1.141 30 10 HDEE C=C(C)COc1cccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCCC)c1 66063020 DWJWJUWKJROWBI-GOSISDBHSA-N 403.479 1.724 30 10 HDEE C[C@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)n1cnc(C#N)n1 409648345 QXYFLQUJFQYILW-SECBINFHSA-N 401.228 1.575 30 10 HDEE CO[C@@H](C)c1noc(CN2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)n1 427250897 AETXQAMMGUIHQE-ZDUSSCGKSA-N 423.470 1.684 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)C2CC2)N1Cc1ccccc1)C1CC1 464395788 NNVRSQINGZDMJI-UJOPUZHASA-N 405.502 1.856 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(C#N)n3)CC2)cc1 468317435 OJUBFHSNFUHATL-UHFFFAOYSA-N 414.487 1.949 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 481747633 HSCAVFQNRDPMKR-BHYGNILZSA-N 423.560 1.738 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n[nH]1 482935506 KXKVKYVJKKTKPN-ZDUSSCGKSA-N 414.897 1.639 30 10 HDEE Cc1c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1N(C)C 488604624 GFMUNGSVEQGGEA-IBGZPJMESA-N 419.485 1.789 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCOc2ccc(C#N)cc2)[C@@H](C)O)cc1 500669283 VIHYEBBXKYNNCK-BEFAXECRSA-N 417.487 1.090 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1 506185869 DHDDBNCYUASHJU-YCRPNKLZSA-N 423.510 1.508 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(=O)OC)C1 508847223 UPCLXVIBOCEQMU-CYBMUJFWSA-N 410.272 1.610 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 508913775 QMVUAEWBIUIRAB-QGZVFWFLSA-N 421.523 1.275 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)c1 513788061 KFEILSWYACFGHB-FQEVSTJZSA-N 413.455 1.808 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 514782703 ZIRQCATVZMMRTR-NRFANRHFSA-N 419.493 1.603 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@H]2CCCO2)cc1 549889344 CVQFCJKWTNFXCX-IEBWSBKVSA-N 422.489 1.719 30 10 HDEE COCCN1CCC[C@@H]1CNS(=O)(=O)c1cccc(Br)c1C#N 557431675 PYDONNFSHQQPMC-GFCCVEGCSA-N 402.314 1.710 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 566800877 JALRZAMWQAIOEI-VGOFRKELSA-N 422.489 1.955 30 10 HDEE C=CCN(CC=C)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 571476946 RQPIMFRZTYCPNY-UHFFFAOYSA-N 407.536 1.836 30 10 HDEE CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586863726 YXHATDZQBVMGSJ-PBHICJAKSA-N 402.470 1.857 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)c1C 589296811 REVTVTPWLGIFSB-UHFFFAOYSA-N 421.567 1.364 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 603739698 MOKZQMXTGMKLMD-ZWKOTPCHSA-N 408.545 1.986 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 609346942 XLIHJXVQJXAYFX-HXUWFJFHSA-N 400.479 1.159 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)CC1 637439303 FMJACTJALAWZNN-UHFFFAOYSA-N 406.486 1.999 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2[C@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 678704064 PVTPZLWBBFBNMC-PYTWLRIVSA-N 403.504 1.592 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 727626063 RUWKKKRJYQUHNB-KRWDZBQOSA-N 400.460 1.354 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1C(N)=O 732619073 KZGMJOLAWYXLJP-GOSISDBHSA-N 415.471 1.874 30 10 HDEE N#C[C@@H]1CN(C(=O)COc2ccc(I)cc2)CCN1C1CC1 732647886 MCYTWOGRGRCRDD-CQSZACIVSA-N 411.243 1.869 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCN1C1CC1 732706234 LLEWPAIAVNZVSV-QGZVFWFLSA-N 406.490 1.900 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cc(C(=O)NC)n(C)c2)ccc1OC 733319592 QEULCLIYHJDKLW-AWEZNQCLSA-N 420.491 1.553 30 10 HDEE COc1ccc(C(=O)NCCCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734290991 CYVRXCMVTGFJTO-UHFFFAOYSA-N 415.471 1.890 30 10 HDEE CN(C)Cc1cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1F 734444193 NECURTCQRYXHIE-UHFFFAOYSA-N 418.494 1.632 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC2CC2)c1 737230153 XTBIEVVBADRVIC-OQKWZONESA-N 406.508 1.744 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OC)C3CCOCC3)cc2C1=O 742962367 HOBLLWQFSUWDCN-UHFFFAOYSA-N 400.431 1.653 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)c1 745821013 OIJYZDLUOKBTFG-KRWDZBQOSA-N 410.478 1.493 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC1 748812071 DFUIARANMAXRFW-NRFANRHFSA-N 414.937 1.865 30 10 HDEE CN1C(=O)N(CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C(=O)C12CCCCC2 750416572 ZOADLEWSZBVYTA-UHFFFAOYSA-N 418.475 1.101 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccn3c(I)cnc23)CCN1C1CC1 750611432 KTYWKXMXUSRPSP-LBPRGKRZSA-N 421.242 1.751 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1ccc(C#N)cc1 754184425 VMALVSUGNNMMPM-MRXNPFEDSA-N 406.416 1.781 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(Br)c1O 765497623 HWKBCNCEURAVIJ-SQFISAMPSA-N 409.240 1.480 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCCCCC2)nc1)[C@H]1CCS(=O)(=O)C1 774166157 ZXAGCVADMAULPM-SFHVURJKSA-N 404.536 1.794 30 10 HDEE C#CCN(C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1)[C@@H]1CCS(=O)(=O)C1 774172020 UJKKSLDXHJVPOX-HXUWFJFHSA-N 414.531 1.864 30 10 HDEE C#CCN(C(=O)NCc1ccccc1-n1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 774239510 FSXCFDYIDIAEJV-GOSISDBHSA-N 400.504 1.821 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)cc1 779441468 AHMGWKVMLBHGCK-NSHDSACASA-N 407.473 1.552 30 10 HDEE CC(C)/C=C/C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785035663 NAVPZAWWIDIQSE-BQYQJAHWSA-N 405.476 1.147 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OC[C@@H]1CCCN(S(C)(=O)=O)C1 786483477 AHDRMINELMBBQQ-OAHLLOKOSA-N 419.507 1.365 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]ccc2=NC(=O)OC(C)(C)C)n1 790105011 ZZZNGADSGRZGCC-UHFFFAOYSA-N 413.478 1.969 30 10 HDEE CSC[C@@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1 799611660 WZFLIFYZPDQFFE-CQSZACIVSA-N 423.560 1.909 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 805823431 HKNMYODAEFWJFT-IBGZPJMESA-N 403.487 1.582 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 809918706 LLUVVOJWCUSIKT-MRXNPFEDSA-N 407.496 1.139 30 10 HDEE COCC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 810166090 LEPVXLUMSIDNSO-MUNYZGMTSA-N 412.512 1.672 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)ccc1C#N 810870271 UEICJSWBTVJAEL-QFIPXVFZSA-N 422.441 1.659 30 10 HDEE Cn1cc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Cl)n1 814383173 WEWGEKHAPRZFGL-UHFFFAOYSA-N 407.883 1.021 30 10 HDEE Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCN(O)C3=O)c2)c1 816692294 KXBNPOGLIMLGPN-KRWDZBQOSA-N 403.460 1.824 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCN2C)ccc1F 820459400 QVVMPKNINXEVMR-SJORKVTESA-N 411.499 1.225 30 10 HDEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)o1 1083864715 ZIYCALBJPHEHTR-UHFFFAOYSA-N 416.423 1.978 30 10 HDEE C[C@H](Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)C(=O)N(C)C 1084562009 XQODVECSMNQEMM-QMMMGPOBSA-N 408.400 1.636 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCCCC(=O)C2=O)cc1 1125202759 OSEQJOAUASFASV-HEHNFIMWSA-N 420.491 1.020 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1128432509 LYGLXISKQKJNLO-AUUYWEPGSA-N 408.458 1.927 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2cc(Br)cnc2Cl)C1=O 1129360675 LPUPOZIJPZHFSG-UHFFFAOYSA-N 416.615 1.518 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CN(C)C[C@H]2c2ccccc2)c1 1143054184 QQVFRFAPBMTSCG-CTNGQTDRSA-N 411.527 1.673 30 10 HDEE Cc1cccc(C)c1OC[C@H](O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1150157184 DDXCYOQBPORCBP-OAHLLOKOSA-N 420.462 1.910 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)n2)c1 1152221893 QLDSLUATGQBQND-UHFFFAOYSA-N 414.425 1.726 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1164154998 IECUKFHOIMMWLF-IBGZPJMESA-N 413.522 1.045 30 10 HDEE COc1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)ccc1C#N 1168494264 OKHNKTAHASEZCY-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccccc2)C2CCCC2)c(=O)n1CCO 1189977659 VNRXOEIPFSFTNB-HXUWFJFHSA-N 410.474 1.230 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(C)(C)C 1197937401 NKIIEORQDSHJCV-UHFFFAOYSA-N 411.955 1.907 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2cnn(C)c2I)cc1 1211928076 XVAYCTJRVFMVIL-UHFFFAOYSA-N 401.229 1.485 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 1222589582 CVKRVJPTNSEVHL-BEFAXECRSA-N 407.478 1.317 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)C1 1233852497 LERKTAGJCGPINY-LYKCQVCGSA-N 421.498 1.666 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)C1 1255362696 GLRVBIZPLPQZET-MJGOQNOKSA-N 418.563 1.712 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1270779243 PFWHDYKTAQQMNZ-INIZCTEOSA-N 409.508 1.889 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1286296227 NEXLZTGUEOJVKR-SJORKVTESA-N 401.536 1.775 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386346 YSMCRXHUERKUOR-DLBZAZTESA-N 424.567 1.350 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286390611 CGXRZNPOHUVOFB-MRXNPFEDSA-N 422.576 1.718 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cnn(CC(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1286391871 FGOJWUPKOASJDZ-SFHVURJKSA-N 418.567 1.676 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286393397 KRIARXDSMCEAEC-ZWKOTPCHSA-N 420.510 1.994 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1286396503 VSPUFJHYMGWYJG-GOSISDBHSA-N 405.568 1.658 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)C(C)C)CC1 1286489672 BQCWRGMKSQJSJP-LJQANCHMSA-N 412.538 1.920 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC2(CC1)CNC(=O)C2 1286791088 SXXZMMBJHSWUIN-UHFFFAOYSA-N 422.533 1.472 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCSC1 1286821190 CYSDEFSHAGHXBJ-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cnnn1 1286971812 ZUBYZIQOLOAXEB-INIZCTEOSA-N 404.482 1.954 30 10 HDEE CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1287555856 OGTNLAUNTHILQB-SFHVURJKSA-N 421.505 1.400 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1288526268 UGTDRQHXOCLJRN-CQSZACIVSA-N 410.457 1.957 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2COCCO2)C1 1288974601 GKLARZSCUGEXOE-FOIQADDNSA-N 411.466 1.471 30 10 HDEE CC1(C#N)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288988110 QKMRBWJZMCHHDF-VHEBQXMUSA-N 409.494 1.887 30 10 HDEE Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@H]2CCN(O)C2=O)C1 1298427366 USIVAACHMCYSRC-WFASDCNBSA-N 424.295 1.716 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1299689435 UJZFDURHRFFJIQ-RUIRWZRLSA-N 406.483 1.855 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 1300228503 OJGJZHMYQDBXNA-INIZCTEOSA-N 406.464 1.948 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1300357837 YZFXEADGHNMDHL-SJORKVTESA-N 400.527 1.918 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCSC1 1300587456 PEPLMWLVUOSXBX-LJQANCHMSA-N 401.561 1.965 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1300657612 YXTMIGDCRMBZRM-ZZEZOPTASA-N 424.461 1.459 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)N(C)CC)CC1 1300692440 FIKDWSKSCGZYTJ-UHFFFAOYSA-N 417.517 1.727 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)N(C)CC)CC1 1300707246 CCQOHPOWBMIABC-UHFFFAOYSA-N 410.522 1.399 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300776141 FBHXBNBFBSTDEP-OAHLLOKOSA-N 419.555 1.756 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300839476 IDDXIADMFSGIDW-VXGBXAGGSA-N 409.244 1.701 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300850944 GLIQXDPMUXQJTG-AWEZNQCLSA-N 418.299 1.386 30 10 HDEE Cc1ccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 1301282592 FQJRDZDOXXNLCI-UHFFFAOYSA-N 412.515 1.802 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1ccon1 1301501614 ZMBISAXFNHPPDD-QGZVFWFLSA-N 410.434 1.717 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1301553503 MYXLQOULWMFCIE-HZPDHXFCSA-N 405.524 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1302436092 AMUSPSCTTKKEOP-HOCLYGCPSA-N 414.510 1.946 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C2CCC2)n1CCS(=O)(=O)N1CCSCC1 1303635499 HABCKLUHIPSMIZ-CQSZACIVSA-N 412.585 1.663 30 10 HDEE COC(=O)[C@@H](c1cccc(C(F)(F)F)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1308127882 IOLRKGODRMTYFW-SQWLQELKSA-N 402.394 1.790 30 10 HDEE COC(=O)[C@H](Cc1ccccc1Br)NS(=O)(=O)N(C)CCC#N 1309921203 IASQRMVDSJLGSW-ZDUSSCGKSA-N 404.286 1.213 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCC2CC2)CC1 1312226301 KBHLLHROIHUIFA-UHFFFAOYSA-N 420.535 1.079 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCSCCCO)CCOC1 1314113734 PHUYDEGMCMWQED-MSOLQXFVSA-N 413.519 1.488 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2)CCO1 1316535201 FTCSMEJCUFEAIC-CABCVRRESA-N 413.507 1.940 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCC3)c(=O)n1Cc1ccccc1 1319175496 IJJMANDCNHWABW-UHFFFAOYSA-N 415.518 1.696 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1320320833 VBGSBXUOMQIXBO-ZWKOTPCHSA-N 402.491 1.898 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1C#N 1327152604 FWWSUGHEXZPPNM-UHFFFAOYSA-N 417.535 1.397 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)Nc1cc(S(C)(=O)=O)ccc1F 1335410300 SCPPJAIWFWQSMA-UHFFFAOYSA-N 414.418 1.758 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2csc(C#N)c2)CC1 1349660352 FRVCGAPWMMUVPB-UHFFFAOYSA-N 420.472 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1358870363 LQJVDDXZVITRSG-GJZGRUSLSA-N 416.507 1.208 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1358918770 GVUAHTCMBGSKIS-OAHLLOKOSA-N 422.449 1.608 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)CC1CC1 1358953711 GUFWEKFWIVQBHH-UHFFFAOYSA-N 406.483 1.890 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1snnc1C 1358986557 ZCQKQFMIMOMEAL-HXUWFJFHSA-N 414.535 1.990 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1359000392 UKLBXDIDYAMRNX-HNNXBMFYSA-N 424.571 1.139 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1359082158 ARWZUKDHLIBPDB-NSHDSACASA-N 413.320 1.489 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1359150844 HVWBOOJYRQHZIM-QEJZJMRPSA-N 417.963 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H](C)C1 1359296133 YATHSFULELCPQV-HOTGVXAUSA-N 421.509 1.705 30 10 HDEE CS(=O)(=O)C1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCC1 1452949878 DBBGOJRWLJJLGO-UHFFFAOYSA-N 413.503 1.564 30 10 HDEE CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](O)C(F)F 1457864711 WMGCDAGUELHVEI-CVEARBPZSA-N 415.462 1.480 30 10 HDEE CCCCN(O)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1458023755 NXBTVGICZOUBPK-UHFFFAOYSA-N 415.487 1.457 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Oc2cccc(OCC#N)c2)cc1 1460840609 HVOFQJKMGJGVGE-UHFFFAOYSA-N 417.443 1.773 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 1462270582 GWUUSJCYBNUBCQ-UTKZUKDTSA-N 417.462 1.718 30 10 HDEE CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462991850 XZHPQISWGIGWMP-SGTLLEGYSA-N 418.500 1.777 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1464019587 XYFYETKXNOSCRB-ZDUSSCGKSA-N 404.282 1.678 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3c(c2)COB3O)nc1C 1464905071 CLARDLKDUKZATK-UHFFFAOYSA-N 413.293 1.655 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(F)c(C#N)c1 1469382910 FWIMXYWXKXKWFD-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H]2OCC[C@@H]2C1 1469422250 STBWBLVYTZSLHK-WBVHZDCISA-N 405.520 1.923 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1 1469479634 YSOJRUVMZRHOFZ-GFCCVEGCSA-N 405.929 1.407 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(Cn4cnnc4)CC3)C2=O)cc1 1469762772 QYVTYNIZULQWNE-IBGZPJMESA-N 407.478 1.767 30 10 HDEE C#CC1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CC1 1475427240 SEPCULZIKHSFPP-RBUKOAKNSA-N 406.504 1.697 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1499105313 TYZMOUARHPWMRV-HSZRJFAPSA-N 421.549 1.903 30 10 HDEE COC[C@@H](F)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1504608536 LEBBCKAGIZRRBT-CABCVRRESA-N 416.505 1.937 30 10 HDEE COC[C@@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1504610833 SXMFABABHMAGEO-YVEFUNNKSA-N 410.450 1.696 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1507631465 PTXVFBQXZZMXFQ-INIZCTEOSA-N 400.508 1.123 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCCn1cnnn1 1507704485 DMYDUHJYNWRGMN-UHFFFAOYSA-N 400.874 1.761 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOCC)CC1 1507721119 YUANJGIRGYPUSH-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NCC(F)F)CC1 1507910112 GLGABWAQEGCUHR-YOEHRIQHSA-N 413.469 1.786 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1507962359 RBNXZAGWFAMPCJ-INIZCTEOSA-N 404.515 1.127 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1507967981 POARBASNTIEYIO-GVDBMIGSSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](COC)C1 1508090537 JEMQAAXTPHLQDG-CRAIPNDOSA-N 413.478 1.566 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1508422219 IFOXQXWPRQBSHY-HNNXBMFYSA-N 400.450 1.960 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1508423898 LVLNNDXVGNCLCH-AWEZNQCLSA-N 423.564 1.466 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1509637519 GTIDYSLHORNJGR-HZVDNRATSA-N 404.490 1.799 30 10 HDEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1519731231 HQSFEHSWCXTTOL-AWEZNQCLSA-N 420.564 1.650 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCCS(=O)(=O)C1 1527328389 AFUYYGQFBDKDEH-LLVKDONJSA-N 401.282 1.641 30 10 HDEE Cc1c(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cnn1CCC#N 1530998981 BAJGMABKDJBQES-UHFFFAOYSA-N 407.418 1.397 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)o3)c2C#N)C1 1533847117 HBLWYXJIVVJUHT-UHFFFAOYSA-N 422.488 1.620 30 10 HDEE C=CCn1cc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nn1 1538509453 SWUKVINLMLEZSI-GOSISDBHSA-N 406.464 1.076 30 10 HDEE N#C[C@]12CN(C(=O)CSCc3coc(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1539118348 LUYMKEXPYKHNHF-HNAYVOBHSA-N 417.512 1.972 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539125493 NAMACJYSGBDYAD-CVEARBPZSA-N 423.539 1.309 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539230192 CLNKCHNUFNTQES-IXDOHACOSA-N 424.592 1.900 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1540069386 OABQGHRYWRFRTP-AWEZNQCLSA-N 401.467 1.926 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1540900888 LTORLTMJIDPGPK-DOTOQJQBSA-N 405.524 1.879 30 10 HDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1544232371 DPEXQYODHWSUPJ-OAHLLOKOSA-N 418.523 1.657 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1544896808 LAUNGVHIWJZRIM-IIBYNOLFSA-N 412.446 1.611 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CC#N 1552401506 DAVPXJSJINXZJH-AWEZNQCLSA-N 408.503 1.686 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCCN3CCO)CC2=O)cc1Cl 1556714866 SKAIRMMAVBVSFN-DOTOQJQBSA-N 404.898 1.528 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 1557616663 YIMMUUHJRRJLGT-BZPMIXESSA-N 419.425 1.793 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1557917767 PZDCARZVPCUMOI-JOCHJYFZSA-N 419.416 1.966 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C(=O)NCC2(CC)CC)cc1 1562198658 WLOWDGAWULMOAJ-MRXNPFEDSA-N 408.524 1.919 30 10 HDEE C[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1(Br)Br 1565630029 PRTTWTLNRNCLQQ-BZYZDCJZSA-N 421.089 1.525 30 10 HDEE CNS(=O)(=O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1567742129 UFINNEXIFIBSFU-MRXNPFEDSA-N 422.507 1.058 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncc(C(F)(F)F)cn1 1569322533 RUVMRVCJCDANGJ-SNVBAGLBSA-N 413.381 1.350 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1noc(C(F)(F)F)n1 1570578888 HELYVSMLVJGGCB-SECBINFHSA-N 402.354 1.752 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3Cc4cc(Br)ccc4O3)C[C@H]1CS(=O)(=O)C2 1585139000 PUFMJRZGPUTUCM-PEYYIBSZSA-N 411.277 1.149 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587759587 XDNXYZWHBNIQPV-KRWDZBQOSA-N 409.556 1.795 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1587861294 JLCNVSQSBYAGIR-ROUUACIJSA-N 405.568 1.658 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1 1588015648 BXANUTXCTUNJIR-SFHVURJKSA-N 413.522 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588053664 GWTHPRNRRYYJEB-XLSPSMHOSA-N 424.567 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)Cc1ccccc1 1588174172 RKMHVZGIFFFMDQ-UHFFFAOYSA-N 420.517 1.538 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1594803494 VPTSNSSJDGOGCC-SFHVURJKSA-N 414.510 1.694 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1594807485 QFLKQHVIQCFLEO-CVEARBPZSA-N 400.487 1.255 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2scnc2C)nnc1[C@@]1(OCC)CCOC1 1595594690 OAVQYEVMTVVXGM-LJQANCHMSA-N 420.539 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](COC)C1 1595784044 AMRYTZMBPVVOTP-INIZCTEOSA-N 422.555 1.532 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 1595790422 LHQVZPVUVFARGH-SQNIBIBYSA-N 406.571 1.426 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1595871107 GHGLVWWBGHBLTH-FQEVSTJZSA-N 415.567 1.955 30 10 HDEE CC1=C(C)CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611834233 AYDBMWOFYRXOOC-CZIZESTLSA-N 422.493 1.752 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1612877411 BAQXZQYZFBCKLS-QRQCRPRQSA-N 420.473 1.984 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615093321 GZTDBRVIPQWZKU-UHFFFAOYSA-N 421.461 1.860 30 10 HDEE CCn1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)cn1 1615699825 HGWINYMIGLKZCR-UHFFFAOYSA-N 422.493 1.670 30 10 HDEE CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1618302843 RFKMKHHNECFLNG-CYBMUJFWSA-N 402.469 1.162 30 10 HDEE COC[C@@H](Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619605257 ZFZQHDLTJXDIAL-MRXNPFEDSA-N 400.483 1.673 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1619865036 IXBCKNVMLJVTDA-ZZEZOPTASA-N 421.461 1.426 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1620041605 NHSNEFUFMWKUTB-UZLBHIALSA-N 416.457 1.692 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)C1CC1 1620111593 ZODQMSXIJMUQKB-LAQRGFTBSA-N 404.515 1.214 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1620350595 MGSUSBRNILHUHG-QZTJIDSGSA-N 410.478 1.324 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1622752917 YGCQGGSQIZGGMD-KRWDZBQOSA-N 402.495 1.520 30 10 HDEE CO[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCOC1 1624381569 WHLIYSWVGDMYMW-ACJLOTCBSA-N 401.442 1.566 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 1625790305 CREXFTMPPFMOJM-JKSUJKDBSA-N 416.540 1.345 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CNC(=O)NCc2ccc(F)cc2)c1N 1627131907 DRNCEJHKBRYHPA-UHFFFAOYSA-N 407.409 1.903 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)ccc1F 1629158984 MQLXQDZSCZCBJS-JLJPHGGASA-N 414.499 1.586 30 10 HDEE C=CCNc1ncc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)s1 1629979505 GKINUXCMHUDWOF-UHFFFAOYSA-N 410.477 1.445 30 10 HDEE C#CCC1(O)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1633140630 HLIAZLILDNUQQM-UHFFFAOYSA-N 420.531 1.017 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)C(=O)OC 1634058461 DWJSTPGODHNTBW-OAHLLOKOSA-N 419.459 1.504 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCS(=O)(=O)CCc1ccccc1 1634672734 MFDBHVBTRVDOEZ-FQEVSTJZSA-N 415.515 1.891 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1634791422 MOWQEVABQFQVBP-GJZGRUSLSA-N 415.556 1.634 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)ccc1F 1635764328 HBFWOIAJMCLSLL-UHFFFAOYSA-N 423.388 1.484 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c1 1635833693 GUERSBPHGWFDMN-HSZRJFAPSA-N 407.470 1.656 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O 1636967122 WCWPOKZJHSGQMG-UHFFFAOYSA-N 403.460 1.924 30 10 HDEE COc1cc(Br)ccc1[C@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1638674885 LTANZDDVKVEUSV-JTQLQIEISA-N 421.251 1.859 30 10 HDEE COc1ccc2c(c1)c(C(=O)NCCn1cc(C#N)c(O)nc1=O)c(C)n2C1CC1 1641033436 BDKOJMDPLRYRCH-UHFFFAOYSA-N 407.430 1.857 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(c2cc(Br)c(C#N)cc2F)CC1 1642712592 GSWJOLPMMCNYKX-UHFFFAOYSA-N 410.290 1.707 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCS(=O)(=O)c2cccc(Br)c2)C1 1644637985 FRLCGUFYLQJMNA-OAHLLOKOSA-N 413.337 1.827 30 10 HDEE N#CCOc1cccc(CC(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1646398135 AUVTVFPPBBCZKK-UHFFFAOYSA-N 405.520 1.938 30 10 HDEE CC1(C)NC(=O)N(CCN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1647166633 IEYUFCPLQRIMPK-UHFFFAOYSA-N 407.478 1.401 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 1648076560 KIVARFFCPYUVQG-AWEZNQCLSA-N 412.368 1.681 30 10 HDEE O=C(CCS(=O)(=O)C1CCCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040890 JUMNDRXFJBHJFC-UHFFFAOYSA-N 408.476 1.638 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1649685704 UUGHHKRIFSFNEO-JLTOFOAXSA-N 414.441 1.586 30 10 HDEE N#Cc1ccc(-c2ccc(Cl)s2)n(CC(=O)N2CCC(C(N)=O)CC2)c1=O 1652918610 CBBWTWHGBQNPMX-UHFFFAOYSA-N 404.879 1.826 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1654867731 HKKSWDOCABIXHC-SFHVURJKSA-N 417.531 1.067 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCS(=O)(=O)C[C@H]1C1CC1 1654918202 DXIBIJKPIQWIAD-SFHVURJKSA-N 413.503 1.582 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccc(C#N)cc3)CC2)CCC1 1655357661 KBQXOBWRQIYSQV-LJQANCHMSA-N 420.579 1.682 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CC4(CCOCC4)CO3)CC2)cc1 1657750880 YNKWJBYYVIJKQE-SFHVURJKSA-N 405.520 1.450 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1669451294 DZMCNAKTXCJQNN-UHFFFAOYSA-N 409.508 1.983 30 10 HDEE Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)N(C)C 1672525669 MTQWQVXXLCAISL-KDOFPFPSSA-N 410.478 1.387 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1676030939 MLKDYCMKMCXSEJ-SFHVURJKSA-N 422.526 1.329 30 10 HDEE C=C(Br)CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1678005118 MBHGECGFZMCDDX-UHFFFAOYSA-N 421.273 1.423 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](Cn3ccnc3)c3ccccc3)C2)c(=O)nc1O 1687423595 ASDUVECOIQTZBA-QGZVFWFLSA-N 405.418 1.025 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1687643402 SYENEQVWMVAZFT-UHFFFAOYSA-N 400.526 1.536 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)CCC)CC1 1689913520 PNJUHNGSCTVFNX-HNNXBMFYSA-N 424.571 1.187 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1689955882 XEPJGXXNBRTRNW-UHFFFAOYSA-N 406.446 1.574 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1689971911 AJIYBJPAOHLHHC-KRWDZBQOSA-N 423.521 1.138 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)CC=C 1690051200 PRSJEUCCFMSYGT-UHFFFAOYSA-N 402.545 1.994 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)CC(N)=O 1690251532 WGTZNDDZCKRISL-VCBZYWHSSA-N 404.515 1.082 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690636234 NSQBWIZWXCRJCX-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690669325 APPFOYLVXUMVKU-NRFANRHFSA-N 413.526 1.723 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1690993904 SAGDTHPLPKPXOR-UONOGXRCSA-N 410.482 1.436 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1690997754 PHEBGYVPQMPMHH-AAEUAGOBSA-N 416.873 1.578 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1691940798 VLLFTXOGKREJGN-RJCBAWPRSA-N 422.493 1.886 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705536142 JBXZLQSZKJZVSO-IBGZPJMESA-N 421.505 1.444 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705570087 KBCXWODGLOQQMF-UONOGXRCSA-N 400.595 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCS(=O)(=O)C1 1705588648 HWYIWLIYUQFONT-QZTJIDSGSA-N 422.551 1.290 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C 1705610872 HZERYONSRGRWEO-UHFFFAOYSA-N 407.522 1.992 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(COC)CCC2)CC1 1705653005 WDQRFTOFAHFATA-UHFFFAOYSA-N 403.527 1.597 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCC)CC1 1705658874 DHHNXWPRDSLSPJ-KRWDZBQOSA-N 404.584 1.906 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1 1705706212 QYWHUNLNSKPAHD-BXWFABGCSA-N 417.510 1.381 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCCO2 1705834896 VLJKAFFOZFVVEP-AWEZNQCLSA-N 421.523 1.720 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1705843400 DMPLLZFOIYZLCM-CQSZACIVSA-N 404.496 1.341 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1705869393 TULXCSMXUVACFJ-UHFFFAOYSA-N 402.543 1.803 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1705938297 URANRJJYMVKLLI-IBGZPJMESA-N 420.539 1.131 30 10 HDEE CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1706312830 WCLYWYCKXKVDOA-GOSISDBHSA-N 411.510 1.657 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1706624945 AOYXGBQBKJUVBI-CYBMUJFWSA-N 412.372 1.697 30 10 HDEE CCCN(CC)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1709720643 CYQJBIDCSLTQSK-BZSNNMDCSA-N 406.531 1.463 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1710451571 CVADOVBWTXSHLP-SFTDATJTSA-N 419.526 1.866 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)c1 1711916458 GEYKJASHGWNYTB-HXUWFJFHSA-N 424.505 1.941 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1712052890 ABXNVOKYRLGOMX-QGZVFWFLSA-N 418.523 1.323 30 10 HDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1712246781 ROELEAYXLZUJGO-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)nn1 1719764740 XXJLITORGQCXIB-VWODBBQFSA-N 413.522 1.492 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722277422 NITSHNZHICRQEK-KBPBESRZSA-N 422.530 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1722296375 PHRQVUUVXVIYCU-KSZLIROESA-N 407.584 1.903 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1722329940 MSRHMXAWXKSADF-HNNXBMFYSA-N 421.505 1.424 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722360816 KBJRPTFSVNEENI-ROUUACIJSA-N 417.535 1.782 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1722412999 GXKIJFMKYHDWJN-OAHLLOKOSA-N 406.483 1.836 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N(C)C 1722428188 WZLUZSXBWPKETI-UHFFFAOYSA-N 408.506 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCOCC2)CC1 1722437387 SJNKAEIWTBQVOO-HXUWFJFHSA-N 416.570 1.387 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccnc2OC)CC1 1722440419 IQNSBOQUXBSCAC-UHFFFAOYSA-N 420.521 1.347 30 10 HDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccccc1 1722540071 ARZOHGFMVRXGDY-QZTJIDSGSA-N 408.506 1.905 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722543597 KAQPJASFRWKRIX-NEPJUHHUSA-N 404.814 1.792 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722620107 JDHUBXZRDRPCGK-LAUBAEHRSA-N 419.526 1.491 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1722672260 NDSFVNXISTYULU-QGZVFWFLSA-N 409.556 1.980 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC(C)(C)C1 1727569744 YMECEHOKWHKOCY-UHFFFAOYSA-N 411.510 1.486 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](F)COC 1728518729 MAINNFKIVYEEIG-INIZCTEOSA-N 409.487 1.672 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1728759708 BUPQDNRAHYDWRC-LAUBAEHRSA-N 418.542 1.929 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN(C)C(C)C 1730956633 RIKSYRIIEQBGIQ-BZSNNMDCSA-N 406.531 1.461 30 10 HDEE CS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1731010897 ZVMVCCSFAOLAHE-QGZVFWFLSA-N 413.425 1.634 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740571070 MSMALLGOLBAMGT-SFHVURJKSA-N 406.494 1.949 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740624372 IKRNZOUKQOKIMG-RBUKOAKNSA-N 419.595 1.732 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCOCC2)CC1 1740693720 JYQLOUWBPWVYSX-UHFFFAOYSA-N 409.538 1.208 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)[C@@H](C)CC)CC1 1740704369 MRCZWQAHWDJEPC-KRWDZBQOSA-N 424.553 1.431 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1740773966 IIXNHXDPTXDKJS-OAHLLOKOSA-N 408.528 1.907 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1740794994 LVJZFIVGMHTALR-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)NC)CC1 1740834244 OLGATVMUTBIMKZ-UHFFFAOYSA-N 412.560 1.148 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1740957975 GAHFALLTCZVOMM-UHFFFAOYSA-N 418.542 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740993862 FFXNFVIBUWDGNJ-QGZVFWFLSA-N 418.567 1.949 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CC(=O)NC(C)(C)C 1740995603 QYVAKXSXZFWFMJ-CQSZACIVSA-N 413.544 1.081 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1741000758 VUTGKPYOZPJZIW-MRXNPFEDSA-N 403.556 1.902 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1747371234 LMBNWKIPVQMKRW-UHFFFAOYSA-N 410.522 1.890 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1748393196 QSOXHWCVGLCGBG-QVKFZJNVSA-N 410.478 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(-n2cccn2)c1 1748959801 ZVHIHBUJHLUNAD-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1749066357 JHVXNYOSTDYVNP-DNVCBOLYSA-N 418.523 1.497 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1749223520 VLGRJTIFTYXOAR-NRFANRHFSA-N 424.509 1.813 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2ccnc21 1749601054 VYKUNWMVAHRTQD-QGZVFWFLSA-N 413.526 1.813 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1760194057 XRQBTAQHNGNBST-UHFFFAOYSA-N 422.489 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1nncn1CC 1760216332 JRJQKXPVDKCQQP-UHFFFAOYSA-N 406.450 1.128 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1760243176 WTUZFLOFVUKDAF-HNNXBMFYSA-N 417.476 1.925 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCC[C@H]2OC)CC1 1760261599 UEXNXWGCIBJKHL-VQTJNVASSA-N 411.554 1.710 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760279018 OLTUTRNJSUUULO-MRXNPFEDSA-N 401.540 1.540 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1760322692 WFNILMWUCFJRFL-JZXOWHBKSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760359523 QOCLITIIUNEHOV-CQSZACIVSA-N 404.540 1.893 30 10 HDEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760433408 FIXIMSHDOQWYPX-MRXNPFEDSA-N 400.439 1.771 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCOCC2)C1 1761545299 AQQUFVUOLFXPTC-IBGZPJMESA-N 402.499 1.072 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1769152951 XVDPWTJMWNUMHA-UHFFFAOYSA-N 410.478 1.073 30 10 HDEE CNS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1769375034 GXEWKOBIFWBEGR-IBGZPJMESA-N 420.514 1.445 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1770201710 BYIOCEIVIPOYLP-YLAKUSLOSA-N 422.505 1.165 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1771267233 GCEUCPHXFGUGJI-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)NCCN2CCC(C#N)CC2)c1C 1850004057 FUZOIYNMSFBADI-UHFFFAOYSA-N 406.552 1.550 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)cc1 1850075998 JTWCEQKAMCKEFB-UHFFFAOYSA-N 411.527 1.728 30 10 HDEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(CC)no2)cn1)[C@@H]1CCN(C)C1=O 1850410603 WVWIPKGNACOFQT-MRXNPFEDSA-N 421.461 1.739 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCC(COc3cccc(C#N)n3)CC1)CC2 1850741990 LZTHEKGDOZOJMR-INIZCTEOSA-N 407.474 1.469 30 10 HDEE COc1ccccc1CN1C[C@H](C(=O)Nc2ccnc3c(C#N)c(C)nn23)CC1=O 1851591177 QYMUSPRQAOKLSJ-OAHLLOKOSA-N 404.430 1.905 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)OC[C@H](C)N2CCS(=O)(=O)CC2)n1 1852090051 GCPVUFIZZGFZDF-NSHDSACASA-N 405.398 1.556 30 10 HDEE NC(=NOCCC(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1)c1ccncc1 1853556173 MINZLVQJUIVBIV-QGZVFWFLSA-N 420.473 1.682 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853949598 HDCPWQJWBNOGGA-CRAIPNDOSA-N 418.519 1.873 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CCc3ccccc32)C(=O)C12CCCC2 1854404318 MQCMRXIEPTYATR-QGZVFWFLSA-N 415.515 1.943 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1854751596 OGTTVIRMYZPPOF-MJGOQNOKSA-N 419.547 1.865 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1855034575 WPNATRPWMWNDPB-MRXNPFEDSA-N 401.486 1.715 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1855163649 QGCQQULPLXPIMD-HZPDHXFCSA-N 402.520 1.525 30 10 HDEE COCc1nc(CCN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)no1 1855192148 RFARBFSOHCRDMW-HNNXBMFYSA-N 411.462 1.322 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2c(=O)oc3ccccc32)CCN1Cc1ccc(C#N)cc1 1855642208 FPNOYGXHCZOJCA-HNNXBMFYSA-N 404.426 1.726 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1856212331 VJNNBWNGYQTVBH-QGZVFWFLSA-N 411.568 1.750 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C[C@@H]1C 1856876436 WUMVNWRKOYCUTA-ZFWWWQNUSA-N 405.476 1.309 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3ccccc3-n3cnnn3)C1)CC2 1857198340 HFOKBGBDVOHRMC-HOTGVXAUSA-N 405.462 1.277 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2noc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857271003 XHYAEBGDXWKJPP-QAPCUYQASA-N 410.474 1.464 30 10 HDEE C=CCn1cc(OCC(=O)c2ccc3c(c2)N(C)C(=O)[C@H](C)O3)c(=O)cc1C(=O)O 1857890224 MOIUZOLXMWCQNX-LBPRGKRZSA-N 412.398 1.738 30 10 HDEE Cc1csc2nc(Cl)c(/C=N/NC(=S)NCCN3C(=O)CSC3=O)n12 1860497701 CFHPEZCKCJTMKO-AYSLTRBKSA-N 416.941 1.851 30 10 HDEE COc1cc(C(=O)N=c2[nH][nH]c(CC#N)c2C#N)c(Br)c(OC)c1OC 1865884807 YBLSXPIYPJXFIZ-UHFFFAOYSA-N 420.223 1.810 30 10 HDEE CC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1cccc(C#N)c1 1867236383 CXUJTXLHDBTFQW-QGZVFWFLSA-N 400.460 1.661 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1890847056 GWVZITQZJGWYQT-HKUYNNGSSA-N 407.511 1.535 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)c1 1891929397 KKNUWOBVFGHTEY-CVEARBPZSA-N 411.487 1.549 30 10 HDEE COC(=O)C1(C(=O)NCC#CBr)CCN(C(=O)OC(C)(C)C)CC1 2021163540 VEKXGJDCXWJYAU-UHFFFAOYSA-N 403.273 1.649 30 10 HDEE COC(=O)CCS(=O)(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2157037007 CCDCBUUQSAFXMP-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174781050 BJKPAHBDPJDTIO-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@H]1C[C@](O)(C(F)(F)F)C1)C(F)(F)F 2188132837 SPLOPTXWTHRXQL-WLGLDCGKSA-N 404.229 1.806 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243430907 YZVFTOCLQGBOQT-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243679465 YJKBDKQUTCUSFE-CABCVRRESA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2245245662 IVBFETZTRSAFDM-IPWJWZFTSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]21 2247811121 FOGPBMIDSNYLKS-HZPDHXFCSA-N 420.315 1.858 30 10 HDEE CC(C)[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352381 DMWZBXFSKQSBAS-NSHDSACASA-N 409.766 1.996 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NN3CCOCC3)cc2Cl)OC1(C)C 2267353237 JZHOEUBAJSBIQR-UHFFFAOYSA-N 408.738 1.226 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CO)C(F)(F)F)OC1(C)C 2267367086 OPQYFJDCEYSMIA-SECBINFHSA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CO)C(F)(F)F)c2)OC1(C)C 2267710760 AOKNBDBAFXOELF-VIFPVBQESA-N 401.237 1.249 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 2281233156 MQWFNCAHIYNOOQ-UHFFFAOYSA-N 413.521 1.318 30 10 HDEE CCN([C@@H]1CCSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334708 FSTVDHZRJVBPAN-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342809 MLFIFRLBXBOMHJ-STQMWFEESA-N 400.375 1.795 30 10 HDEE CN(C)CC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282502242 IIMDAWJNCFGZAY-UHFFFAOYSA-N 400.375 1.371 30 10 HDEE CN1CCC(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282848506 OCIWTWWSEXBDEJ-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CN(C1CCC(O)CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881533 ZAUYDYRIVOMURP-UHFFFAOYSA-N 401.359 1.971 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284416434 XXOKYRUMRUOUCX-UHFFFAOYSA-N 401.315 1.699 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccncc2)c(C)n1 2296620592 MFPRPHKWIPSGBG-IBGZPJMESA-N 423.473 1.242 30 10 HDEE COC[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C=CCN1C(=O)OC(C)(C)C 2299708220 XKSODCOJFPCVKA-OAQYLSRUSA-N 420.315 1.930 30 10 HDEE COc1[nH]c(=NC[C@@H](O)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2301562643 MXJAKFQHXGRGLW-CYBMUJFWSA-N 423.319 1.109 30 10 HDEE CN[C@@H](C#CC1(SC)CC1)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2336214676 KNNAMWYGZGXAOW-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@H](O)c1cn(C)nc1I 2361290229 KPTKGMBEMASLPD-VXGBXAGGSA-N 405.305 1.935 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2365206537 HLECKNRMWFXMMI-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2365210745 JHDCDRSBESQUAU-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]2CCC[C@@H]21 2365212713 SWRRTHGWCAMPNH-XTDOFWJNSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC 2367791477 YNZCXDDZTVZQBD-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE Cc1nc(C(=O)N[C@H]2CC[C@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2368481887 UVEFSRIPEYAOIZ-WDEREUQCSA-N 400.331 1.056 30 10 HDEE C=CCC1(N[C@@]2(C(=O)O)CC[C@@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377200140 ZKLMJYUEDXTEMK-ACJLOTCBSA-N 402.513 1.562 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc2C1=O 7174926 PNRFXKSJLDVYAB-LLVKDONJSA-N 401.419 1.638 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3ccc(S(N)(=O)=O)cc3)cc2C1=O 14938085 VPGPIDZOQHKZBK-LBPRGKRZSA-N 413.455 1.607 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 27559357 VXTVZVXNWGSJAZ-LJQANCHMSA-N 413.566 1.924 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 53991806 PHWJQHONSDBGMQ-OAHLLOKOSA-N 406.442 1.214 30 10 HDEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(C(=O)OC)cc1)CC2 72159178 ZMHYHIJSUIGHKS-GOSISDBHSA-N 416.474 1.947 30 10 HDEE C#CCn1c(=NC(=O)c2ccc(N(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 263627371 FRFHDTMCHLWXGZ-UHFFFAOYSA-N 414.512 1.791 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409481740 BLFKRTKPBMRAOU-COXVUDFISA-N 416.906 1.673 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1C#N 428024403 UTKBGSCLFRPLQT-UHFFFAOYSA-N 423.564 1.507 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)CC1 436623783 JCGOTRJNITZYLC-SFHVURJKSA-N 405.458 1.612 30 10 HDEE COC[C@](C)(CCO)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 438508347 XRMJRXYAKPEUJR-AOMKIAJQSA-N 418.538 1.733 30 10 HDEE CN(C)C(=O)c1cccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 466026688 QYRCSRIDBPPDFY-UHFFFAOYSA-N 406.490 1.729 30 10 HDEE Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1C#N 468700882 IJOGVEOTVIIGDT-UHFFFAOYSA-N 413.459 1.104 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3nnc4n3CCCCC4)CC2)c1C#N 472213649 PUMBSMHRRCBXRI-HNNXBMFYSA-N 411.514 1.511 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CSCN3C(=O)C3CCCC3)CC2)c1C#N 472251270 SSFIBEDYQRGYII-QGZVFWFLSA-N 416.551 1.341 30 10 HDEE CCN1CCN(c2ccc(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)cc2)CC1 472996726 FKRHXWGVEMMASC-UHFFFAOYSA-N 421.549 1.705 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](OCCN4CCOCC4)C3)cc2C1=O 478868296 NXYWVNSCUUPKPF-KRWDZBQOSA-N 413.474 1.032 30 10 HDEE Cc1c(NC(=O)NCCn2cnc(C#N)n2)nnn1Cc1ccc(C(F)(F)F)cc1 485552481 QSJBAQZKKLTHPC-UHFFFAOYSA-N 419.371 1.939 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 486504325 LYTUDHVUUYYLDN-NDBYEHHHSA-N 411.336 1.537 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)F 498877185 ZEEGNTGIWQZNDI-DZGCQCFKSA-N 414.478 1.413 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2C)CC1 507990895 ICRCZVZFGLUGJA-UHFFFAOYSA-N 404.902 1.568 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 508807844 DTUWYQCTOHIOTD-MRXNPFEDSA-N 405.524 1.847 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)c2ccc(OC)c(OC)c2)CC1 509589225 YZNPMFAGIDQKDR-QGZVFWFLSA-N 404.511 1.784 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccc(F)cc1 520970577 RJSSMHZTFGYVPN-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCCC(=O)NC)CC1 549378824 SDGOIJQQKBSMSA-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1cc(Br)cc(C#N)c1 551226215 IVXLYMUTFDWPQO-JSGCOSHPSA-N 405.314 1.757 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1 561789920 IKJLOTHBWUUWIN-OAHLLOKOSA-N 403.464 1.214 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CCOC)[C@@H]1CCOC1 581635860 XVYYKDKCKLNDHG-GOSISDBHSA-N 413.526 1.880 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)OCCOCC)cc21 586315914 ZNFBBKQOWMGWPC-MUUNZHRXSA-N 409.460 1.109 30 10 HDEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccncc1 610530386 IYIAQIZKGFYWRF-MRXNPFEDSA-N 413.503 1.773 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)n2)cc1 610531432 HPVLDGWPJYRTOD-UHFFFAOYSA-N 403.377 1.464 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc(Br)ccc1F 731850983 BDPMTQPWESACTK-BUHFOSPRSA-N 418.244 1.393 30 10 HDEE COc1cc(OC)c(OC)cc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732441449 FIMWBGFRDPISQY-ZCXUNETKSA-N 404.423 1.038 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)cn1 732562039 ZFBKITSTFRBXHL-UHFFFAOYSA-N 406.511 1.903 30 10 HDEE COc1c(F)cc(Br)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 732670743 XCQFCJPQYGZXDT-GFCCVEGCSA-N 418.288 1.958 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCN1C1CC1 732707706 DBUSTGYJOKICFQ-OAHLLOKOSA-N 415.881 1.604 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 733672982 JGHQXSWJXIJLNN-UHFFFAOYSA-N 407.492 1.338 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)Nc1ccc(Br)cc1 735852689 DZCANQWKMMIBJI-MSUUIHNZSA-N 421.251 1.420 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 743733792 ZIGOTDFIFCRKSO-UHFFFAOYSA-N 414.487 1.680 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1 746190243 FVXQUDIGIFQUOI-GHVJWSGMSA-N 424.501 1.597 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 752332659 PNZJVYSPOJUYFH-INIZCTEOSA-N 410.499 1.685 30 10 HDEE C#CCNC(=O)c1ccccc1NCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 754300201 UNTUNTZKQWGGBF-INIZCTEOSA-N 405.520 1.133 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no2)c1 755949390 STPCWODFNWXCIT-AWEZNQCLSA-N 400.439 1.813 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)/C=C\c3ccnc(Cl)c3)CC2)o1 757757077 PXRQCMNNNYMRJF-IHWYPQMZSA-N 415.837 1.808 30 10 HDEE NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 758313421 GEEYIGILCUTLKC-UKRRQHHQSA-N 406.508 1.056 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1C)[C@H]1CCS(=O)(=O)C1 760429709 PELJNCHFJNXFQU-LBPRGKRZSA-N 417.268 1.862 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 772378813 QEBYXZJBROBKJX-AEFFLSMTSA-N 420.473 1.936 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2)[C@@H]1CCS(=O)(=O)C1 774043189 KVIOSCBUEPOWKF-MRXNPFEDSA-N 404.492 1.433 30 10 HDEE C#CCN(C(=O)NCC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774222117 IJXSAJSHYRZCCA-LJQANCHMSA-N 417.531 1.371 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)s1 781460582 JVAFBICNOKENGD-UHFFFAOYSA-N 403.485 1.793 30 10 HDEE Cc1cc(Br)c(O)c(C=NNC(=S)NCCN2CCOCC2)c1 781577573 RZPBLSAJHZHAFY-UHFFFAOYSA-N 401.330 1.593 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)N2CCCN(CCOC)C(=O)C2)cc1C#N 787421484 SAQYWJOVJRHNAA-UHFFFAOYSA-N 403.439 1.839 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CC(=O)N(C)C)c2ccccc2)n1 788898643 CJWPTEUXQVOXMU-HXUWFJFHSA-N 411.506 1.894 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 789321070 RSTMTNXFRNUAFQ-HXUWFJFHSA-N 409.534 1.702 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br)n1cnc(C#N)n1 798740452 SWNDZGHOWUKDIQ-ZETCQYMHSA-N 414.166 1.933 30 10 HDEE C[C@H](C(=O)O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 798742741 SOIMHKBBRAFJPL-MFKMUULPSA-N 409.324 1.958 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](C(F)(F)F)C3(CCC3)C2)c1=O 800864605 XKZSYDHNUVGYHY-CQSZACIVSA-N 414.428 1.556 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 801795819 DQWARBBEAOEDHV-RDJZCZTQSA-N 405.524 1.125 30 10 HDEE C#CCN(C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 810343469 YQBLWKPMROQSIR-LBPRGKRZSA-N 415.418 1.084 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 919319248 YJYPCDVCCSWKMV-ROUUACIJSA-N 420.487 1.186 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]c4cc(F)ccc34)CC2)o1 920623361 DUPMDOCUVGKQRS-UHFFFAOYSA-N 411.393 1.981 30 10 HDEE COc1cc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ccc1C#N 1124538724 GNOKZGQYZZYXGW-UHFFFAOYSA-N 409.471 1.594 30 10 HDEE COc1cccc(C(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)c1 1134055906 GNIJZJDKYNJXDU-AVRDEDQJSA-N 424.478 1.937 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)NCCC)C2)s1 1136493463 BOHQMMGPXYYLOJ-AWEZNQCLSA-N 413.565 1.520 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(CC2CCCC2)C1 1137083885 URVKBIFPHVVDPN-KRWDZBQOSA-N 418.563 1.886 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1142674932 XNQYJANUCIWYMO-RMKNXTFCSA-N 421.406 1.411 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143068017 IOQURWFXGMWHRM-FUHWJXTLSA-N 420.531 1.490 30 10 HDEE CCn1nnc(C)c1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1143367394 GZDKCQMIVNQHDC-OAHLLOKOSA-N 418.523 1.376 30 10 HDEE COCCOC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1146283505 CRLKGICAILYANH-SFHVURJKSA-N 414.462 1.417 30 10 HDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1CSCCSC1 1153865196 CPWGKVWERITZAS-HZSPNIEDSA-N 400.570 1.947 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)C1=O 1166195373 ADIBPPSMBYXNDV-ZDUSSCGKSA-N 404.854 1.259 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)cc1 1184117880 OTGCBVVKXPVIFF-SFTDATJTSA-N 408.502 1.648 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1208650646 LTSANCSSDSGHNI-UHFFFAOYSA-N 400.884 1.989 30 10 HDEE Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cn1 1212343555 FMEYXXHAEFDQBK-GFCCVEGCSA-N 402.398 1.440 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 1254888496 FKXRRXSOIJIOMS-UHFFFAOYSA-N 411.443 1.950 30 10 HDEE N#CCNC(=O)CN1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1264037043 TXDAPKJEIPRSJP-KSIVUZQRSA-N 408.502 1.024 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286324472 QOVOXEUHEUJMII-NWZZKEMCSA-N 401.511 1.805 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286392647 JDIIFLWUQUOJMP-HUUCEWRRSA-N 421.548 1.222 30 10 HDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1286394556 JLQUAHAIKKLEAE-MRXNPFEDSA-N 404.467 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)F 1286429526 GVYSJJRHEWSSBQ-UHFFFAOYSA-N 406.462 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCC(=O)N(C)C 1286434018 BWRDOGZKWGXCJM-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1286480340 LPFQFNNHRMFZKC-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1286607074 AYTWXXYGFPXAMU-MRXNPFEDSA-N 415.560 1.296 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286705064 OPKASVILMMLLRK-ZWOKBUDYSA-N 424.567 1.983 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286719473 OKLXXQWSRJMWMY-KRWDZBQOSA-N 414.890 1.909 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1286971360 VRINNMYYSQDETF-AUUYWEPGSA-N 418.523 1.671 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1296955660 FKWKSDQFOBMISG-KRWDZBQOSA-N 403.504 1.305 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(Cc2nn[nH]n2)c1 1298992501 AXRKIVLBOFQTLC-UHFFFAOYSA-N 401.434 1.893 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1299366517 SUIITSRLTCEXOE-UWJYYQICSA-N 411.462 1.622 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCC2)cc1OC 1300076677 IFRKNBWKXRSDCF-MRXNPFEDSA-N 413.478 1.996 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc2ccccc2c1 1300396361 PLQNYVNVQRIPBK-UHFFFAOYSA-N 416.499 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCCC1 1300672979 CVTNNXJWEPKWNU-UHFFFAOYSA-N 416.551 1.766 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CCOC2)CC1 1300701082 FRYWJWDFQZHEOJ-INIZCTEOSA-N 401.461 1.939 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300767136 RUZJUUNJEUSUQL-AEFFLSMTSA-N 410.547 1.593 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1301296314 FZHLBRUGDQSFHB-OAHLLOKOSA-N 422.530 1.687 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCO2)C1 1301539971 YBFCFXHKZVZLRV-DAYGRLMNSA-N 413.544 1.239 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1302193061 GNMMFEXSXFZAPQ-HNNXBMFYSA-N 416.482 1.419 30 10 HDEE N#Cc1cn(CC(=O)N2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)c(=O)nc1O 1303141134 SLGGKVBSWUHBKY-HNNXBMFYSA-N 404.430 1.617 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1303505518 YDCUFKNAGNCQLT-YYWHXJBOSA-N 419.526 1.864 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1303566198 AHDIRKIJRNSNQN-OAQYLSRUSA-N 412.494 1.855 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c1 1303688995 BLWVNWIQXLNGOE-UHFFFAOYSA-N 411.545 1.817 30 10 HDEE Cc1nnc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)s1 1304783385 ONWPSFBYKVPTBM-GFCCVEGCSA-N 402.871 1.931 30 10 HDEE Cn1nccc1C1(O)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1308047457 KNAKHAGNPHLSHC-UHFFFAOYSA-N 405.462 1.400 30 10 HDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1309542010 GIWMAUBFRNOZHT-CHWSQXEVSA-N 421.397 1.620 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 1312468435 GCHRDPNWYZXEFM-IUCAKERBSA-N 404.349 1.647 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H]1CS(=O)(=O)NC)c1ccc(Br)cc1 1312936130 GAECRMZHXRTIRM-LSDHHAIUSA-N 414.325 1.847 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1342227268 BPTMRBAWHSTBBH-LLVKDONJSA-N 424.338 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1358876142 CVHSKRIFCFMLKV-CVEARBPZSA-N 419.551 1.936 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358964939 KHEGNBVZIVLZDG-YLJYHZDGSA-N 417.535 1.052 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCCC)CC1 1359037044 SMKKDUVRHCGXGI-UHFFFAOYSA-N 410.522 1.159 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1359037933 DOHFLLGSWKSWBU-RBUKOAKNSA-N 414.554 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCCCC2)CC1 1359045042 VDMPZVMSFSHGPC-SFHVURJKSA-N 415.538 1.443 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359132730 DJVLBFOGDIPXFO-DOTOQJQBSA-N 404.515 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](COc2ccccc2)C1 1359333323 UMIGVBIEYYGTTK-SFHVURJKSA-N 420.535 1.726 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1C(C)(C)C 1359335864 XFSGMBITYPYIBP-INIZCTEOSA-N 411.572 1.481 30 10 HDEE Cc1ccc(C(=O)NCC2(C(N)=O)CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1441219537 AHWHYGQRIAAFPC-UHFFFAOYSA-N 402.300 1.306 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1443532829 UNSPUNCFPWEFMM-XLAORIBOSA-N 421.538 1.940 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1 1451245508 ACKYZOXMUKNGFR-RBUKOAKNSA-N 405.520 1.892 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)c1 1457815692 AMMWBUSGRVYBSY-WMZOPIPTSA-N 400.460 1.268 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1467527806 HCJGUWWWZRIFAE-UHFFFAOYSA-N 401.444 1.813 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)[C@H](C#N)C1 1469729572 MYWDXVSCXWJIAL-WCVJEAGWSA-N 424.498 1.307 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)ccc1F 1470313192 XCBQWWWNVZHRNF-CYBMUJFWSA-N 411.499 1.667 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1 1471929675 ONONIKHZNBQIET-TXDAXLQXSA-N 406.504 1.301 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)C1 1476436076 AABVHTLAFXRXKW-INIZCTEOSA-N 409.508 1.739 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1477242402 ILWNYLRFRCGZDV-GOSISDBHSA-N 417.506 1.247 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1507651922 CHBCCGFFSPGXFT-OALUTQOASA-N 411.529 1.896 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1507660399 SMIWWHIPBXYDFE-INIZCTEOSA-N 407.540 1.168 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(F)(F)C1 1507703362 VOWTUYKFKVAOPZ-KBPBESRZSA-N 419.498 1.410 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2sc(C)nc2C)CC1 1507732126 SWYVBHVLWULFHE-QGZVFWFLSA-N 400.552 1.853 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCOC2)CC1 1507739201 AVPLAKXWHPDJBN-GOSISDBHSA-N 422.533 1.656 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCO[C@H](C)C2)CC1 1507741520 VYOBIZOKAAJVKI-SJORKVTESA-N 403.527 1.596 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1507957504 PCIKBEMYECTZSK-QGZVFWFLSA-N 416.526 1.308 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508086421 LGUZPPLKDZLHCP-KGLIPLIRSA-N 408.453 1.403 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1COCCO1 1513357454 PDXBZPNOPFNZMR-KXBFYZLASA-N 408.478 1.444 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1517526178 BCJPABKGRGNKFW-UHFFFAOYSA-N 418.505 1.984 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1519094013 FZNZPYRGAJYJAR-INIZCTEOSA-N 418.523 1.181 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1519260888 QYARWUYYKDVCQR-GFCCVEGCSA-N 418.420 1.421 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1521843375 LQZXOGCEZOJEHP-RTBURBONSA-N 419.547 1.841 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)Cc1ccc(Br)cc1C#N 1525183340 YLVKRICIICNYFG-UHFFFAOYSA-N 408.277 1.978 30 10 HDEE C[C@H](NC(=O)COc1cccc(Br)c1C#N)C1(S(C)(=O)=O)CC1 1525728814 PEQIGDCPZPMOOP-JTQLQIEISA-N 401.282 1.781 30 10 HDEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1527274286 NOWFDLWKBQOSCE-HMMYKYKNSA-N 420.451 1.551 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)C1=O 1530490337 IOPKWDDHAFVIDT-ZWKOTPCHSA-N 401.463 1.269 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CCO2)cc1 1536666055 QFTJJLFFDXETDY-WOJBJXKFSA-N 403.438 1.977 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1539212196 SXDHQWMBCTUZLB-SFHVURJKSA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1539221071 YEJJLUOKGCWLFA-PXNSSMCTSA-N 408.568 1.918 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2nc(C)cc2C)CC1 1539427964 KSYOIEDOMZVLHS-UHFFFAOYSA-N 424.553 1.173 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2snnc2C)CC1 1539453035 BHVXAOXPKGXFOW-UHFFFAOYSA-N 423.546 1.841 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CCOC)C(=O)C1 1539809985 GLVGYMFGFHQVQV-UHFFFAOYSA-N 419.913 1.925 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 1540472544 RFXPIDXMXXZGOM-GOSISDBHSA-N 413.457 1.117 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1540867402 VFWWEXKDXBERLL-GOSISDBHSA-N 410.522 1.908 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540898040 YNEQSUPCYWFDIM-DOTOQJQBSA-N 406.556 1.569 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)COCCO2)CCOC1 1541105436 IXSALMOCLQNYGB-AHRSYUTCSA-N 407.515 1.720 30 10 HDEE Cc1ccc(N2CC[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2=O)cc1 1543843708 HIXANOFXNUUIBK-SFHVURJKSA-N 415.446 1.967 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1545831954 BWZQWTBJBRYBMA-GDBMZVCRSA-N 424.571 1.760 30 10 HDEE CO[C@@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1554609643 LPQPJIZBELGIJI-CAOSSQGBSA-N 420.514 1.812 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1555720901 JLPPNIGIVHAHRT-UHFFFAOYSA-N 413.478 1.869 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CCO1 1555993394 NUMOSYHCAZOXPW-IRXDYDNUSA-N 414.441 1.566 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1558109880 DEEQHEQXRBVWFB-CVEARBPZSA-N 416.927 1.316 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3nn(-c4ccc(Cl)cc4)cc3O)C2)c(=O)nc1O 1558806161 GPCJTDLTRGDKLB-UHFFFAOYSA-N 412.793 1.062 30 10 HDEE C=CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 1565035070 XSIILFZOFXKJSL-UHFFFAOYSA-N 424.567 1.753 30 10 HDEE N#CC1(CNC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCOCC1 1565466382 UUBXFKYVMZSKPX-GDNBJRDFSA-N 415.475 1.737 30 10 HDEE COc1cccc([C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cnc(C#N)n2)c1 1586934790 BQLUFQWSDZYHEO-INIZCTEOSA-N 400.439 1.541 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)CC(C)(C)C1 1587425650 GNRLGEWFIVXDEZ-ZBFHGGJFSA-N 407.536 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1587640185 PSGKCQSPZCQXKC-OWZDWXTDSA-N 420.535 1.756 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC1(O)CCOCC1 1588024484 FNAWWPIWCHNSDW-IYBDPMFKSA-N 419.526 1.660 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C 1588253885 IEBPEPIGDDMUCZ-HTAPYJJXSA-N 412.465 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CCOC)CC2)CC1 1588751560 MCAVVRQGJKEYQS-JOCHJYFZSA-N 417.554 1.502 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589514453 GLXSZSQTBLCAFI-JZXOWHBKSA-N 419.551 1.888 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1593729166 HWDLFIIBWQJWEI-KRWDZBQOSA-N 414.514 1.312 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCn1cccn1 1595517195 SJKBLDRHKODWOX-UHFFFAOYSA-N 423.477 1.351 30 10 HDEE CN(CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCC[C@H]1O 1595533688 RKDUOGGZOBXBEX-RTBURBONSA-N 414.485 1.359 30 10 HDEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 1596420174 MCTFXSVWMALMMZ-HEHNFIMWSA-N 405.480 1.595 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1596549499 MBUDVUSIBYZNGM-RHSMWYFYSA-N 411.466 1.095 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCCC1 1612575836 KKANUHWGWRIZPJ-UHFFFAOYSA-N 416.507 1.479 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN(C)CC(F)(F)F 1612599073 ATQNADCJNNJABO-CYBMUJFWSA-N 423.447 1.457 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1616508597 VJMZMXOGQPAXLJ-UHFFFAOYSA-N 403.460 1.884 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccccc2)n1Cc1ccc(C#N)o1 1617793393 JYKGIEISLWYHND-UHFFFAOYSA-N 406.446 1.753 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncn(C)n1 1618143127 WGBHJAYMALOVMS-UHFFFAOYSA-N 422.493 1.829 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC[C@H]1C 1619515170 DICARAAHEDLUSR-CRAIPNDOSA-N 407.482 1.755 30 10 HDEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1627136774 PBGYSKVTZUQSFJ-BJOHPYRUSA-N 401.347 1.207 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1628350857 PGIXQPUMVABPHM-UHFFFAOYSA-N 414.531 1.015 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(CS(C)(=O)=O)CCC2)c1 1630022579 SCFHZICOSNOODT-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 1631764169 WAONBJONNFQDGU-ZFWWWQNUSA-N 417.462 1.562 30 10 HDEE Cc1nn(-c2ccccc2)c2nc(C(=O)NCCn3cc(C#N)c(O)nc3=O)ccc12 1633550005 HSLXLZNLCXCSNZ-UHFFFAOYSA-N 415.413 1.293 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(-n3ccc(O)n3)cc2)cc1S(=O)(=O)NCC#N 1634382074 YYJXOHJJACTLFI-UHFFFAOYSA-N 411.443 1.941 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)c1 1635629437 NCBPQMBVODWEBM-OAQYLSRUSA-N 404.430 1.380 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N[C@H](CCCC#N)c1ccccc1 1635654941 DRPDFIOBTYEXRX-OAHLLOKOSA-N 400.526 1.778 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1635752253 PPPYGPGRHRHNPE-MNOVXSKESA-N 409.689 1.823 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc(OCC)cc3)c2)C1 1636812955 ITOUDDQQJFQWPT-UHFFFAOYSA-N 400.456 1.706 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCCC=C)c2ccccc2)CC1 1638030420 VNMGQRZVHNVEIA-IBGZPJMESA-N 404.536 1.879 30 10 HDEE COC(=O)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1639214474 OMHXTJFGJPKVJX-OAHLLOKOSA-N 407.473 1.207 30 10 HDEE C=CCn1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)nn1 1640941096 IPLJVPHCENHRJD-WBVHZDCISA-N 405.499 1.999 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 1643672940 CURAUWTWDVAJQK-UAGQMJEPSA-N 419.503 1.336 30 10 HDEE Cc1nc(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)[nH]c1C 1644865068 GODHHKSYZFZZFI-UHFFFAOYSA-N 401.492 1.471 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 1644948382 QETITXHPBRXAPG-UHFFFAOYSA-N 402.539 1.727 30 10 HDEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645990897 GISHRLRWIMEGFH-HNAYVOBHSA-N 413.540 1.858 30 10 HDEE C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1CS(N)(=O)=O 1648011433 WOBSGIAYDADBBP-CJNGLKHVSA-N 403.460 1.727 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CC1 1648035607 NFKPUEDRFKEXOG-LSNYBQGISA-N 424.611 1.501 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc3c(Br)cccc3s2)CC1 1652162783 SGHOOSODOHPVFI-UHFFFAOYSA-N 415.338 1.648 30 10 HDEE Cc1ccccc1C[C@H](C)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1652848623 FRJMIVVFUYXECZ-SFHVURJKSA-N 408.502 1.608 30 10 HDEE N#Cc1ccc(C2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)CC2)nc1 1654341548 CATZQRWLMTWOOM-UHFFFAOYSA-N 424.505 1.809 30 10 HDEE N#CCC(=O)N1CCN(C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 1654490719 CBTKAKXQZWSVJA-OAQYLSRUSA-N 400.479 1.208 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)on1 1668906891 CFCBLJNDRRUSDC-UHFFFAOYSA-N 410.839 1.497 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](c3n[nH]c(C)n3)C2)cc1 1673398893 RXZLXEILVXNWQU-AWEZNQCLSA-N 404.496 1.941 30 10 HDEE C=CCN(C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1)[C@H]1CCS(=O)(=O)C1 1674719106 VLQBPGQRWOFZOU-INIZCTEOSA-N 407.492 1.565 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 1676030411 CTEJDXSFPYFIJU-KRWDZBQOSA-N 417.941 1.703 30 10 HDEE COC(=O)C(C)(C)n1cc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1679471585 CVCAQYYSXMGGHQ-KRWDZBQOSA-N 424.461 1.585 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCCNC(=O)c1ccc(Br)cn1 1683959780 QKFUIAVCVPCHBQ-AWEZNQCLSA-N 409.284 1.446 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC(C(C)(C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1685580771 KTFJYCOORNOAAX-AZQPHWPRSA-N 402.535 1.829 30 10 HDEE CSc1ccc(CNC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cc1C#N 1687594723 HGBNUBULKPSSNK-MRXNPFEDSA-N 408.549 1.990 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(N2CCCCC2)c1 1689971963 CBGZGWSEZPFUDD-UHFFFAOYSA-N 407.522 1.904 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689982611 QRKWVYVBAHUYMG-HIFRSBDPSA-N 411.528 1.126 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1689988135 JVUUQAUDOXUWPW-DJIMGWMZSA-N 402.524 1.666 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689989387 FEKZKCVLVGZDQH-IXDOHACOSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)COC 1690013179 DWUZOSUWPQVIOM-MRXNPFEDSA-N 404.474 1.547 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1690110177 AUWVFNWOBYAEOR-UHFFFAOYSA-N 404.522 1.960 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690488997 WVFYDZKTLDHKJY-UHFFFAOYSA-N 418.567 1.996 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690508187 CURHFNVZUVBFTL-ROUUACIJSA-N 407.515 1.106 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690674293 VXPBUPOWHDRAOM-HDICACEKSA-N 418.586 1.858 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1690733596 IYWSUEUQOCWKRF-ZDUSSCGKSA-N 403.574 1.016 30 10 HDEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1691600887 FRNANEKFLOKUOA-ZWKOTPCHSA-N 415.542 1.250 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC#N 1695046567 CLUPIXLJSHTSED-CVEARBPZSA-N 403.531 1.805 30 10 HDEE CCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1695891051 RMPJHDUHAKIICS-DVSFIDLUSA-N 415.542 1.533 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1705540893 QOONCHPUYFWOPD-UHFFFAOYSA-N 424.553 1.268 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CCc1nnc2n1CCCCC2 1705543208 YYTMQNKHGOLBIJ-INIZCTEOSA-N 401.515 1.632 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705561093 PXOUJALTZZVCJO-QGZVFWFLSA-N 402.520 1.977 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2nccc(C(F)F)n2)CC1 1705638017 UYMUBVDTSVIDNO-UHFFFAOYSA-N 410.432 1.871 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccc(C)cc2)CC1 1705638241 DGQUXCPHKHHMCS-IBGZPJMESA-N 408.506 1.372 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccs2)C1 1705922198 IBHBKJGCPCAQAC-SXGZJXTBSA-N 417.535 1.980 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)cc1 1707551777 QOPFRPMTLFTZQI-IBGZPJMESA-N 414.510 1.473 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1711916443 FRMDLFXNNJAXNX-YOEHRIQHSA-N 417.491 1.117 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCOC1=O 1712622914 XABPPCTVGUHOTP-PMPSAXMXSA-N 406.487 1.583 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722333545 XBYWEIAJPWKVQL-HOTGVXAUSA-N 418.523 1.669 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1722360700 IVBMFIYWMGULHQ-MRXNPFEDSA-N 417.560 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1ncn(C)n1 1722376984 KTGSSSKHTRVAJL-UHFFFAOYSA-N 419.489 1.991 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C 1722446207 ATFAYZVWNMIPMJ-WOJBJXKFSA-N 424.549 1.927 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C 1722535164 ANXHAQWQYPOUGL-INIZCTEOSA-N 414.514 1.463 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)c2ccco2)CC1 1722580222 ZECCABWAUAUQFI-UHFFFAOYSA-N 412.494 1.826 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1722647608 NAWGTUMGDRKXCK-UHFFFAOYSA-N 410.522 1.967 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1)C1CC1 1722649069 IBGWSTMRODITMP-INIZCTEOSA-N 402.499 1.862 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722725320 JBGXVBXLOBPGAD-DLBZAZTESA-N 418.567 1.860 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1723785301 IERLEPUXRZAGBJ-JLCFBVMHSA-N 421.505 1.528 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1730953752 AHAJQACKPUFUER-PYWIUJKZSA-N 417.466 1.232 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740555487 JQNVQWYIIPWCNI-DNTCVELPSA-N 405.462 1.248 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1740575857 WIROGTNXVSEEFD-KURKYZTESA-N 421.567 1.793 30 10 HDEE C#CCCCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596603 IRQXMIUVPBGGSB-DENIHFKCSA-N 417.554 1.502 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@@H]1CCOC1 1740605052 LURKWLMOYGOLBN-KRWDZBQOSA-N 422.493 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)OC 1740642974 AVZVDGIHSHXCGO-NRFANRHFSA-N 420.561 1.751 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)CN2CCCC2)CC1 1740689471 XFALIWYDMFURLM-UHFFFAOYSA-N 415.586 1.294 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCN(C)C(C)C)CC1 1740693333 XGKYXQRPOXHLOM-JOCHJYFZSA-N 418.586 1.414 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCC(F)F 1740724723 HXNPJYVNRDPSFV-BLLLJJGKSA-N 405.471 1.162 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1740794397 ZNPAWJJDJZVIRL-UHFFFAOYSA-N 412.494 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@]2(CCOC2)C1 1740955927 IQGAQOJNEIDPFD-HXUWFJFHSA-N 417.897 1.896 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](OC)C1 1740988858 RONSRVCMDPBMRB-HNNXBMFYSA-N 420.491 1.500 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1747704096 AYBBGLLKRDZQLL-KRWDZBQOSA-N 421.505 1.783 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1748635702 VOBQZQPFIWPZLP-QGZVFWFLSA-N 403.527 1.805 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)CC1 1748698741 XAQKQSYTGZNXBD-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1748719484 ZKDJZRGKZJESFH-XMTFNYHQSA-N 406.552 1.702 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)noc1C 1748864115 QGQLHOKJIGXLBI-AWEZNQCLSA-N 404.496 1.004 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1nncn1C 1748951361 UELYUTPIQUFACN-OAHLLOKOSA-N 413.457 1.820 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(C)CCS(C)(=O)=O 1749029214 OBQIZXKRKRGIQB-UHFFFAOYSA-N 408.549 1.801 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749119168 OLFIATQKONXQQZ-FUHWJXTLSA-N 411.572 1.818 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC(C)(C)OC(C)(C)C1 1749652825 UDDVLGCEZRBRTP-OAHLLOKOSA-N 409.531 1.698 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)OC 1749666686 PTPZCEWANSHHKG-UHFFFAOYSA-N 411.466 1.365 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCOC1 1749680684 NRRBQVUFPNKKNF-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC2(CCC2)C[C@H]1CC 1749731947 OCAMEEPBIMDXEK-CVEARBPZSA-N 421.567 1.989 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1749752765 ZXASWIZHGNTRTM-UHFFFAOYSA-N 408.553 1.668 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)c1 1750381162 KKFLLOCBTLZKCC-HKUYNNGSSA-N 424.505 1.572 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@H]2CCOC2)cc1 1750382991 MVEAPZORZIVDBU-GOSISDBHSA-N 424.505 1.586 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCOCCS(C)(=O)=O 1760115466 GWLJHMUQUURZLX-QGZVFWFLSA-N 404.536 1.696 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1760227113 VNGCXBKURTUOLM-UHFFFAOYSA-N 417.535 1.570 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760237021 SAXQOCHCWHXZMR-VHEBQXMUSA-N 410.503 1.916 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(C)=O)C1 1760360655 JDRJYNHCNYMZAI-OTWHNJEPSA-N 421.542 1.700 30 10 HDEE C=CCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@@]1(OCC)CCOC1 1760513527 YLTXYWWSMJDENF-HXUWFJFHSA-N 407.515 1.095 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)C1 1760542265 FJBJLHNJWXRMAD-SJORKVTESA-N 420.539 1.248 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](COC)C1 1760553799 ZSGCYSIRFUEZCC-KRWDZBQOSA-N 420.535 1.706 30 10 HDEE C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1761418081 AKOMTTVBFLTIBV-WBVHZDCISA-N 402.524 1.380 30 10 HDEE CCCN(CCC)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1766013733 JSDIHOBHGZDTFD-ZPHPHTNESA-N 410.482 1.888 30 10 HDEE CN(CCn1cccn1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767376400 PKZSMQPEVYVIEX-ZZEZOPTASA-N 424.509 1.795 30 10 HDEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1769013059 FHNLHYKQQVVRSG-QFIPXVFZSA-N 418.505 1.885 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CN(C)C1=O 1769841367 BZIBJSMVSGLRCC-LJQANCHMSA-N 417.901 1.838 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)CCO1 1771536645 YUVDUXSTOXVIBM-HNNXBMFYSA-N 416.869 1.115 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@@](OS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)(C2)[C@@H]1N 1772502505 WSWIXQJVPSZGFH-BXCMOATISA-N 413.536 1.787 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H](N2CCS(=O)(=O)CC2)C(C)(C)C)nc1C 1852051913 NPHQHVTVFDUIGB-QGZVFWFLSA-N 420.535 1.572 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCC(=O)CC2)cc1 1852169687 OHNIJIPCGLWILE-HXUWFJFHSA-N 411.483 1.639 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)NCC2(C#N)CCOCC2)CC1 1852636913 KHWCIGLVPRNLNZ-JKSUJKDBSA-N 420.510 1.138 30 10 HDEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1 1854120958 OXSJWZGJEDOCSA-KOLCDFICSA-N 409.247 1.773 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccccc2F)C(=O)C12CCCCC2 1854413604 GTWQRVFKJGWPEU-UHFFFAOYSA-N 421.494 1.985 30 10 HDEE CN1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)CC1 1854525835 WPUALLNENRQPGN-UHFFFAOYSA-N 418.519 1.038 30 10 HDEE C#CC[C@@H](F)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1854615973 YHUWTZGTUBTNKS-DGCLKSJQSA-N 411.329 1.794 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@@H]4CN(C)C[C@@H]43)ccc21 1854813470 JLLAZBRGPCIOLS-APWZRJJASA-N 417.531 1.783 30 10 HDEE C[C@@H](CC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O)n1cnc2ccccc21 1855018980 GRCPGBQDZLJUQN-ROUUACIJSA-N 408.506 1.646 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1855597561 FYNXWZQGZYNARY-SJLPKXTDSA-N 400.483 1.071 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2cn3ccsc3n2)CCN1CCOc1ccc(C#N)cc1 1855866397 PKDMXEHZVQIZKC-OAHLLOKOSA-N 423.498 1.948 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CCc3ccccc3)CC2)OC1=O 1856212321 VAXWCEAIIQLFTJ-QGZVFWFLSA-N 405.476 1.532 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(=O)[C@H]1C 1856262554 KYSPWJQBFUYHME-IAGOWNOFSA-N 407.474 1.657 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4ncccn4)C3)C2=O)c1 1856411204 AMBCETWBMVAYAA-MJGOQNOKSA-N 405.458 1.880 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1856451160 GIOVAQHXWQOMEZ-GOSISDBHSA-N 408.462 1.058 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ncoc2C(C)(C)C)C1=O 1856721779 KBCDOWDIJKSLHE-HUUCEWRRSA-N 402.495 1.822 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)Cc3nc(C4CC4)no3)CCC2=O)CC1=O 1856798648 OYVVBAJBKPKDAX-ZBFHGGJFSA-N 415.494 1.179 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cnn(CC)c3C(F)(F)F)C(=O)C2)C1 1856843244 BWJBETUMSJCBGY-AWEZNQCLSA-N 413.444 1.857 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)n3ccccc23)c1 1858242409 ZJYANOIKNFFGHP-UHFFFAOYSA-N 402.414 1.372 30 10 HDEE COc1cc([C@@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862600697 POTXVZSTYMWHJR-QGZVFWFLSA-N 415.398 1.686 30 10 HDEE C=CCn1cc(OCC(=O)NCCN(CC)CC)c(=O)cc1CN1CCCCC1 1870535163 JTGBVGODJZBSLV-UHFFFAOYSA-N 404.555 1.857 30 10 HDEE C[C@H](C(=O)OCC#CCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1923682876 GNEHVGJWMNLFSM-CQSZACIVSA-N 416.389 1.514 30 10 HDEE C#CCN(CC(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1984784175 HGKCMVAEEVUIEJ-QFIPXVFZSA-N 415.490 1.702 30 10 HDEE C#CCOc1cccc(-n2ncc(S(C)(=O)=O)c2I)c1 2070094278 GWPIKCDWJMXNNB-UHFFFAOYSA-N 402.213 1.892 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)[S@@](=O)CC1(O)CC(C#N)C1 2074687150 PRKCMCHBAYKYGT-DHCFJBFPSA-N 408.476 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174776907 BOSBGLKLXCHSMD-ZFWWWQNUSA-N 404.508 1.651 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177630625 GQFDEEASOBZAMG-MNOVXSKESA-N 403.331 1.589 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCCOC1 2243686040 GPEOMUXATGQXHD-FQEVSTJZSA-N 408.304 1.811 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247827008 CZHGAONNFPETNX-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247835091 GBZJAPCTABBHAZ-UHFFFAOYSA-N 418.303 1.467 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(Br)nnn2C)C1 2255193615 QSPCUEXVGZDTJJ-UHFFFAOYSA-N 412.288 1.501 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[S@@]1=O 2267711181 HNGFNSORNLQQQB-JNDILOIQSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](O)C(F)(F)F)OC1(C)C 2267730302 XVPLWLJRGBCKBG-SNVBAGLBSA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCNC(=O)CC3)cc2Cl)OC1(C)C 2282316424 CBJVSUSNUHNKSC-UHFFFAOYSA-N 420.749 1.211 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C1CC1 2282330288 XNCQQGONEQYZQQ-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCCNC3)s2)OC1(C)C 2282336675 ARZLHFQQOHWENR-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE COC(=O)C[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498994 LZVOQCNXJXCHNO-NSHDSACASA-N 403.331 1.418 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2COCCO2)OC1(C)C 2282501738 BBTRYGKCEULSPA-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@@H](N)C2)OC1(C)C 2282506898 YZVBFLIJSKVZMX-KGLIPLIRSA-N 400.375 1.737 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@](O)(CO)C3)sc2Cl)OC1(C)C 2282625645 YBYHESWUOSVGMS-QGZVFWFLSA-N 401.721 1.660 30 10 HDEE CC[C@@H]1NCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282831937 GWDWWGGULQPDSY-QWHCGFSZSA-N 400.375 1.775 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282832381 OEIFSLIAIFKINR-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CO 2282851271 ZQYVGOLXRVQFJN-SJKOYZFVSA-N 401.359 1.686 30 10 HDEE CONCCCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282869991 LBBGVMHSHDKJQQ-UHFFFAOYSA-N 404.363 1.484 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CO 2282870180 OAZJDZKLTPSVPV-SJCJKPOMSA-N 401.359 1.686 30 10 HDEE CC(C)SC[C@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284378047 KKTPXTILCLALPZ-NSHDSACASA-N 400.331 1.767 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@](C)(=O)CCC(=O)O)OC1(C)C 2284401604 JCPHRDCKHVPQAP-RUZDIDTESA-N 423.343 1.309 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2C[C@@H]2C(=O)O)OC1(C)C 2284403572 RCOIEUHKVUEPEC-CABZTGNLSA-N 401.677 1.391 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2300272978 AWTJKGHFKMQBLK-CHWSQXEVSA-N 420.319 1.362 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372001 MSQHPGDVMLJGKR-KGLIPLIRSA-N 401.554 1.719 30 10 HDEE COC1(C#C[C@@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363524099 DILAEMQFXIGDRG-CVEARBPZSA-N 401.525 1.734 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2365201228 GRSKYSNYUYAJGR-JYJNAYRXSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CCCN(C(=O)OC(C)(C)C)CC1 2365204556 YWKCCASBGZTCKJ-MRXNPFEDSA-N 401.573 1.344 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cccs3)CC2)c1 55185042 VWMJPWUKABYGFL-GOSISDBHSA-N 409.515 1.897 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2cc(-n3cncn3)ncn2)CC1 96393819 XCEHWDUJEWQYQT-UHFFFAOYSA-N 419.405 1.692 30 10 HDEE O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 101027141 HBBGEQSUIIBRLK-ULDDTAKGSA-N 422.441 1.818 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 108619999 PZRATTOKVAIDFK-KRWDZBQOSA-N 405.524 1.196 30 10 HDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(Cc5cccnc5)CC4=O)nc3c2)CC1 170178761 FMIWJYQWODHAOD-UHFFFAOYSA-N 403.490 1.422 30 10 HDEE N#Cc1ccc2ncc(CN[C@@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)n2c1 237857172 RMHRJBTWVGKZKB-GOSISDBHSA-N 418.505 1.591 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)Nc1ccc(S(N)(=O)=O)cc1C#N 301395785 LXSMJHXJXFNCTL-HNNXBMFYSA-N 400.508 1.223 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1=O 410142370 OZVBFZIGYDDGPT-STQMWFEESA-N 424.479 1.285 30 10 HDEE Cc1nc(N2CCOCC2)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 431798409 QHTYMALGHPMZSR-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE Cc1ccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1S(=O)(=O)NCC#N 436096858 APUSHDNADFVWHJ-MRXNPFEDSA-N 412.471 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 445249153 LCYUTPKLKZSJPU-UHFFFAOYSA-N 404.470 1.741 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCc1nc(=O)o[nH]1 447636759 LKUCJEHGBBPHSI-UHFFFAOYSA-N 411.212 1.133 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460368087 DTKUBGKBTTVGLR-GOEBONIOSA-N 407.482 1.587 30 10 HDEE C=CCn1c(O)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 470835655 HOHXIBMNEOZEDH-GHMZBOCLSA-N 411.509 1.175 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 481658746 MMWQKQZKSCWTSQ-CYBMUJFWSA-N 417.443 1.416 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C#N 489687812 ZGGVSIGKALIGTG-ICSRJNTNSA-N 400.504 1.423 30 10 HDEE CN1CCN(c2cccc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)n2)CC1 502076108 AVMCEGOXQBLOHF-HXUWFJFHSA-N 404.518 1.684 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 503625383 NGINQVNLJCSGIZ-UHFFFAOYSA-N 404.492 1.059 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]21C 504624370 YGJGUDWTWGIYMD-WDADEHKTSA-N 418.461 1.997 30 10 HDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H](CC(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 504706824 FFNCCEPTDSCWGF-DBQGFPOUSA-N 409.442 1.433 30 10 HDEE biogenic Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)nc1 533545110 SBAYXGDTFUCXJV-OAHLLOKOSA-N 409.511 1.522 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2nc3c(C)ccnc3[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 533611887 SGYKLSKHLKRYGZ-GFCCVEGCSA-N 417.429 1.264 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 544042992 JTGCUUCAAJWUIS-GFCCVEGCSA-N 406.468 1.387 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1)C(C)C 550834341 FZTCBRTUQZCRCW-IBGZPJMESA-N 417.529 1.684 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CC1 558113680 IJFYSROTYSNIDO-UHFFFAOYSA-N 413.566 1.687 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)c1 568689422 QQRIIAHBZNJXLF-IBGZPJMESA-N 415.471 1.445 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 568918343 BXBOWYDLTPEUMO-MAUKXSAKSA-N 413.544 1.192 30 10 HDEE COc1cc(CNC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)ccc1C#N 572566034 WOHGFFHZERGBOF-OAHLLOKOSA-N 403.464 1.753 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(Cc2nc(C)no2)CC1 582798231 IPCVEQNUVOMMSH-UHFFFAOYSA-N 423.481 1.515 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)CC1 604821865 AGYJANRUCAOONF-IBGZPJMESA-N 413.566 1.841 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 609756575 KJKKYKKTPWMSRS-HXUWFJFHSA-N 411.462 1.656 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 670220070 JKYSDSBCOLEIJG-SFHVURJKSA-N 410.522 1.915 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 702785605 PZIFVGKHBRXEDF-TZMCWYRMSA-N 415.899 1.718 30 10 HDEE CC1=C(C(=O)O)NNN1C1=C=C(I)[C-](Br)C#C1 725537917 CJMRJOVHMCQCLC-UHFFFAOYSA-N 406.985 1.373 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC[C@@H]2CCCO2)c1 732706951 SFZKNWRHORAZSB-MSOLQXFVSA-N 412.490 1.690 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 739852233 FZGHHFQJNAIPGW-UHFFFAOYSA-N 402.524 1.829 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 744940384 DGFAIGZIFMTMBT-CRAIPNDOSA-N 415.490 1.930 30 10 HDEE N#C[C@H](C(=O)CCc1cccc(C(F)(F)F)c1)C(=O)N1CCS(=O)(=O)CC1 766873102 JODVINOQMQYPFL-CQSZACIVSA-N 402.394 1.604 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 767701752 ZXRZDQOLDNQQRA-OAHLLOKOSA-N 413.474 1.989 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 767706822 ULSJQHLOSZRJJD-HNNXBMFYSA-N 412.483 1.804 30 10 HDEE COc1ccc(N2CCN(C(=O)Cc3noc(-c4ccc(C#N)nc4)n3)CC2)cc1 771067006 MGBQQKRLVPMNHG-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774025410 RTLPKBGNOHAXTQ-HNNXBMFYSA-N 413.521 1.028 30 10 HDEE C#CCN(C(=O)NCc1cc(OC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 774182213 XLHZAYLTNQPWEU-CYBMUJFWSA-N 415.309 1.790 30 10 HDEE O=C1Nc2cc3c(cc2C1=NOCC(=O)N1CCC[C@H](C(F)(F)F)C1)OCCO3 774801747 CHPFPRMFGZUWOV-JTQLQIEISA-N 413.352 1.932 30 10 HDEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 777467175 IOQCXFRCNPGNLY-LRWZUSMTSA-N 403.552 1.568 30 10 HDEE C#Cc1cccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c1 784789284 ASZMOHXESLRWCE-IBGZPJMESA-N 401.426 1.262 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCCO2 789968163 LFMPDYHPNWSTFS-CYBMUJFWSA-N 414.491 1.934 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N(C)C)cn2)ccc1F 791771251 VKNSKEBWUSOHRI-UHFFFAOYSA-N 406.439 1.639 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(C(F)(F)F)c1 792163050 FVRHRRSOXPTYGY-OAHLLOKOSA-N 416.425 1.889 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2C[C@@H]2CCCO2)cc1 802687851 YYTBBTHUOZZMQZ-AEFFLSMTSA-N 424.461 1.549 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2C[C@H]2CCCO2)cc1 802687852 YYTBBTHUOZZMQZ-FUHWJXTLSA-N 424.461 1.549 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)cc1 804275746 UGXINMAXRVTVLE-HKUYNNGSSA-N 415.471 1.376 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1COc2ccc(F)cc2C1 811566662 JMCOIFLIRUWDGC-CQSZACIVSA-N 403.435 1.374 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1SCc1ccccc1 814767302 GLCIFUJCVGOXMW-UHFFFAOYSA-N 423.549 1.592 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)c1 816808336 KOTBWAOLLAUYBL-INIZCTEOSA-N 412.533 1.028 30 10 HDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914552004 RFZPUVGSEDQBGB-ABAIWWIYSA-N 406.483 1.951 30 10 HDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)Cn2c(O)nc3ccccc3c2=O)cc1 917038366 NAVOKDWUCDJMIL-MRXNPFEDSA-N 406.398 1.136 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1159777220 ATTQAHVMPPVHRO-KRWDZBQOSA-N 422.551 1.954 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 1164661510 XHPDFXPQWJYOLO-DZGCQCFKSA-N 402.513 1.116 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](O)c1ccncc1 1169737045 VDSMOAYEUOGSGI-KGLIPLIRSA-N 408.336 1.762 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(N2CC[C@@H](O)C2)CC1 1174742349 KUSOZWFTZPPSLK-IEBWSBKVSA-N 400.523 1.861 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N=[S@](C)(=O)N(C)C)nnc12 1188021872 MMUYGMYMEVAGIY-NDEPHWFRSA-N 420.520 1.423 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCn2c(nnc2-c2cn(C)cn2)C1 1197033750 XRCVPHIQHJMFFB-OAHLLOKOSA-N 422.468 1.969 30 10 HDEE CC#CC[C@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1210542925 DTVYDTXFQYPCNV-OAHLLOKOSA-N 420.514 1.247 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cnc2c(Br)csc2c1)C(=O)OC 1212123699 UTJLUPQWYIEUBS-JTQLQIEISA-N 403.279 1.902 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1248374568 CJSIAQUTTXQDOD-QZTJIDSGSA-N 412.494 1.056 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1255587558 KEFQWTZJPBUWDK-UHFFFAOYSA-N 412.343 1.995 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)NCc3nc(C#N)cs3)C2=O)c1 1255897773 FODRZHWZQJHJJF-MRXNPFEDSA-N 415.475 1.979 30 10 HDEE CN1CCn2nc(C(=O)Nc3cccc(C#N)c3Br)cc2S1(=O)=O 1276487637 AZMKZYOJASUDAJ-UHFFFAOYSA-N 410.253 1.404 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286270738 NEDZOLLXODXIIK-HYDGNGQDSA-N 413.547 1.899 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286393978 SLIVKMHOFNJIHY-OXQOHEQNSA-N 418.519 1.358 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@](C)(CC)O1)[C@H]1CCS(=O)(=O)C1 1286394742 KDZQIIXMUMXIGF-ZWOKBUDYSA-N 424.567 1.789 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)CC 1286455151 CCOYXJJKDICDKB-UHFFFAOYSA-N 409.469 1.936 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286536792 QTKGPDJJCVIQAQ-TZMCWYRMSA-N 424.299 1.552 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286711331 NCBWAVVWDIQFKK-OXJNMPFZSA-N 400.483 1.712 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CN(CC)CC)C1 1286788485 XIEJZSGLJCDXGT-ZWKOTPCHSA-N 404.559 1.990 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(CC#N)CC3)nn2)C1 1293713280 RQWXKKBUJRITIX-HNNXBMFYSA-N 403.487 1.131 30 10 HDEE C=C(CC(C)C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1293999930 NSOVSIANQQRHKF-UHFFFAOYSA-N 415.556 1.682 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccccc1F 1296303320 JDZDRRZBTMMVHL-UHFFFAOYSA-N 407.423 1.640 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1300270104 BDGOGRSMGABZII-HUUCEWRRSA-N 419.551 1.622 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCCS(C)(=O)=O 1300449249 ONRDOKJDYAFQLX-UHFFFAOYSA-N 404.492 1.958 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1300475738 RIQMFIQFRUVDBO-QFIPXVFZSA-N 409.490 1.946 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1CCOCC1 1300536159 RPRWPDSJQSLYHX-UHFFFAOYSA-N 419.533 1.952 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC(OCC)C1 1300548518 JTXWTQDJPHMVDX-UHFFFAOYSA-N 419.485 1.732 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(COC)CCOCC1 1300666414 YPJDZEXHJFAFLN-SFHVURJKSA-N 406.527 1.701 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301221476 KVLSFHYAGDMSOF-GOSISDBHSA-N 402.543 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1301578940 KWSRJSZNSNBVEW-CVEARBPZSA-N 405.524 1.737 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1302314621 GXCBACVYFQLFIY-AWEZNQCLSA-N 404.496 1.282 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1303469077 BUNBOGXQHORQLU-CQSZACIVSA-N 422.486 1.141 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCS2)CCOC1 1303504212 FZKFYRNCCXFUCG-TXPKVOOTSA-N 407.540 1.943 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1303635666 IJCFSBFPHCYPRI-DICRZQGBSA-N 402.499 1.696 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCO1 1304193021 MGSQXDMDOSGUGC-SFHVURJKSA-N 405.501 1.981 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 1304657708 ADXFXQQCNDJKLH-MOPGFXCFSA-N 405.520 1.435 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1307969765 SYBLOYTYSFANOZ-IRXDYDNUSA-N 418.567 1.145 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCCOC)CC2)cc1 1309297187 OQUQKPRXNXSEJX-UHFFFAOYSA-N 416.565 1.478 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)C(C)C 1312809105 ZERXSMZMYRGZEF-NXOAAHMSSA-N 420.510 1.868 30 10 HDEE CN1C[C@@H]2CC[C@@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)[C@H]2C1 1313425733 WEHYROYNSBLLNA-ZYSHUDEJSA-N 407.522 1.898 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1F 1316487985 WULKAXDKARNUQU-KCXAZCMYSA-N 411.441 1.599 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)COCc2ccnc(O)c2)cc1 1350774849 VWYHWWAFNVGSCQ-XLNRJJMWSA-N 418.475 1.755 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1358889681 FNKZXSPGQFVAQK-FUHWJXTLSA-N 402.520 1.855 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358962847 YDVYUTAPHLMCOH-IEBWSBKVSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358967025 BNXIDAPEKHJEHI-OAHLLOKOSA-N 408.549 1.860 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1358982812 LKSVYKGSVNJNOW-VGSWGCGISA-N 410.474 1.478 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CCC2)CC1 1359036997 QIYBMWFWNVPVLP-GDLZYMKVSA-N 412.563 1.320 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359041083 MWVSLBMUIYDIDW-CVEARBPZSA-N 421.567 1.192 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1359183030 BSFXHUFUHDFSNH-CABCVRRESA-N 424.571 1.302 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359207018 WMEYMHCLQSAOCT-OXJNMPFZSA-N 405.499 1.927 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1359291112 FERUTEUVIDGLEI-OAHLLOKOSA-N 422.480 1.688 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359311647 FSYANHUSQMERIB-KIJUOZEOSA-N 400.483 1.709 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCOCC2)C1 1359320230 NTHXTCPJJDEEAO-HSALFYBXSA-N 419.570 1.922 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC2CC2)CC1 1359336003 BCOJFEHOGWMBMT-QGZVFWFLSA-N 409.556 1.262 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359342448 YACWWVOLSHHHGQ-IKGGRYGDSA-N 420.583 1.305 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1360247667 DTQWBKJIGUBHKM-UGSOOPFHSA-N 404.496 1.114 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCOCC1 1437868097 AWAABAYMFJRCSE-HXUWFJFHSA-N 404.532 1.940 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1443208548 RLJGXBYXYVAAEK-UHFFFAOYSA-N 404.430 1.490 30 10 HDEE C[C@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1456735495 PZTJFEIAWRJFGC-SMDDNHRTSA-N 408.524 1.951 30 10 HDEE CCCCCCCC[C@@H](CO)NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1 1457064611 VVXYPBNZFUAJIC-HNNXBMFYSA-N 404.511 1.782 30 10 HDEE COc1ccccc1-c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1463163665 PCAZQXNZIBGKNA-KPZWWZAWSA-N 403.485 1.829 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)CC1 1464591643 PRERBJXFOWBOLK-UHFFFAOYSA-N 417.535 1.467 30 10 HDEE CC1CCC(Oc2cc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)ccn2)CC1 1465195016 IDRHFCREKPUIDI-UHFFFAOYSA-N 411.462 1.880 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC)[C@@H](O)c1ccccc1F)c1cc[nH]n1 1465918049 KZHHXTLSEYNQFE-KSSFIOAISA-N 406.414 1.461 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2COc3ccccc3[C@H]2O)s1 1468616014 JJCHYOHJNRGHLT-KBXCAEBGSA-N 408.501 1.366 30 10 HDEE C=CC1(CC(=O)N2CCN(c3nc(C)cc(O)n3)CC2)CN(C(=O)OC(C)(C)C)C1 1471911464 MTKHSRONFQVYPQ-UHFFFAOYSA-N 417.510 1.952 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1472486255 KWDYVFVSVJDSNZ-UHFFFAOYSA-N 402.476 1.927 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)[C@H]1CCCO1 1478479024 CGKAHQNKSMVVQL-BSDSXHPESA-N 417.510 1.603 30 10 HDEE Cc1nc(-c2ccc(Cn3c([C@@H]4CCC(=O)N4)nnc3N(C)C[C@H](C)C#N)cc2)n[nH]1 1492660607 QYTFKTYMNBTZFU-DYVFJYSZSA-N 419.493 1.967 30 10 HDEE CCOCc1nnc(N(C)Cc2ccco2)n1CCN/C(O)=C1\N=CC=CC1=O 1503018980 ZZDDRJMIDCEBQU-ISLYRVAYSA-N 400.439 1.570 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@H]2COCCO2)c1 1505314026 PSABOZVTDLPKOS-MSOLQXFVSA-N 410.478 1.324 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1507514304 QGGVFGLACUKUCU-AWEZNQCLSA-N 405.462 1.439 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1507669179 IVXJDEABDOOCIW-SFTDATJTSA-N 413.566 1.992 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1507731514 KLIIWMOONWSYEF-WOJBJXKFSA-N 400.571 1.658 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCC=C)CC1 1507738841 FTMPXLBTNUXSNA-IBGZPJMESA-N 415.538 1.731 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC1CC1 1507832300 YBQSTXDMIXOINL-INIZCTEOSA-N 413.544 1.050 30 10 HDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507937236 OFWLOXDRSNZHJJ-JKSUJKDBSA-N 402.499 1.959 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507941976 OQILAQPUADJIMV-FQEVSTJZSA-N 404.515 1.985 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1508090409 NHCMUKTXQFFPQZ-UHFFFAOYSA-N 400.527 1.829 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[S@](=O)C(C)(C)C)C1 1508130747 IMWSQPJSTOWIHF-OFJJUDJNSA-N 423.583 1.729 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1508426640 HKTLBUCNKITEER-CQSZACIVSA-N 410.544 1.210 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1517690850 XJQWDNSRJAJDMD-CRAIPNDOSA-N 422.445 1.137 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)n1 1518994150 RGTBMUAQWGXDFB-UHFFFAOYSA-N 408.422 1.994 30 10 HDEE N#Cc1ccc(OC(=O)[C@]23C[C@H]4C[C@H](C(=O)N2)[C@H]3C4)c(I)c1 1524881229 CIGRDDGEWRMACC-ZSYFIWHWSA-N 408.195 1.983 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1528571377 IPKSMBORTQLADH-XYJFISCASA-N 420.531 1.836 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1c(Br)cnn1C 1534447787 KOSKUKTYAAEQGV-UHFFFAOYSA-N 409.244 1.651 30 10 HDEE N#C[C@]12CN(C(=O)CCc3ccccc3OC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1539118054 FUSVDXANNRXXNV-XJKSGUPXSA-N 402.394 1.915 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1539212735 XLZOPQDIXUJYBM-IBGZPJMESA-N 424.530 1.837 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1539231508 SWGTYTDXFQKHHO-HNNXBMFYSA-N 408.549 1.860 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539446981 MKXSASQFHMSDMU-SLFFLAALSA-N 400.571 1.658 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539744169 DHLHGLARIPLWOE-JKSUJKDBSA-N 402.499 1.023 30 10 HDEE CNC(=O)C1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1540533215 PCPSWLGEFGQDJN-UHFFFAOYSA-N 405.296 1.742 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1540671939 CLTOEYLKROWGFQ-AWEZNQCLSA-N 421.339 1.922 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1541992866 XDNINZYQZLCLFJ-MRXNPFEDSA-N 414.514 1.476 30 10 HDEE COC[C@@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1544646221 YYBAYBNBLMPKJX-UWJYYQICSA-N 403.479 1.906 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1545831957 BWZQWTBJBRYBMA-ZBFHGGJFSA-N 424.571 1.760 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1555240329 FWBVOLNKHGDRQF-AEFFLSMTSA-N 424.505 1.822 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CCO1 1555385018 AOGVWDUMDMYSGG-SFHVURJKSA-N 423.477 1.993 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@]1(C)COCCO1 1555558767 CZEABQVPFQPREI-FQEVSTJZSA-N 400.483 1.436 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C2=O)cc1 1556171738 CSFJZUPGUFRHJT-KRWDZBQOSA-N 406.508 1.409 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1557240252 FHZFLHAWVUWALW-IVPXEPLCSA-N 420.388 1.475 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)s1 1557449403 VDFVEYGVWSZFOZ-OAHLLOKOSA-N 419.528 1.459 30 10 HDEE C#Cc1ccc(C(=O)N2CCC[C@H](n3nncc3I)C2)nc1 1558109284 YPTWADNELRRUBI-LBPRGKRZSA-N 407.215 1.736 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OC 1558382875 HBJKXSYTGNKKBV-ZDUSSCGKSA-N 403.391 1.876 30 10 HDEE COCCN(CCC#N)C(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1558940150 HCYSDZCALCDWNC-YHUYYLMFSA-N 409.483 1.562 30 10 HDEE COCC[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561595622 DUAQGRHMAGSPKM-NSHDSACASA-N 407.261 1.886 30 10 HDEE C#Cc1ccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 1563368653 YMECJISKPQDLCZ-UHFFFAOYSA-N 413.503 1.336 30 10 HDEE O=C([C@@H]1CCCN(CC(F)(F)F)C1=O)N1CCN(CC(F)(F)C(F)F)CC1 1565767121 UTJUCZWWCFKPHM-JTQLQIEISA-N 407.330 1.832 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)c1 1565773783 VDGFQJUHVUDEEG-PBHICJAKSA-N 400.410 1.309 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1568507579 FBBMHVGGNIFLKL-KRWDZBQOSA-N 408.462 1.030 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCCN(CCCO)C3)C2)C1 1569250803 HGEABRQEISJTCN-IOANDJKRSA-N 420.554 1.736 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1570239145 IBNZZDUOORMAKK-UHFFFAOYSA-N 415.313 1.321 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CN2CCCC3(CC3)S2(=O)=O)cc(OC)c1OC 1584301656 CCMWDTTXUHHUBT-AWEZNQCLSA-N 423.491 1.351 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3[S@](=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585139203 SQHWYNWMGGSJDQ-VFPYJOMDSA-N 406.407 1.324 30 10 HDEE C#CCN(c1nnc(COCC)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1588074049 IAFHYGPVSRVOTE-ZDUSSCGKSA-N 417.329 1.350 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1588085102 ZJZJAAFJCSDGJH-MSOLQXFVSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCn1cnnn1 1588093987 SNJAOMREANIZQO-UHFFFAOYSA-N 412.404 1.696 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCc2cnn(C)c2)CC1 1588885066 RYHOJUXPPLHQON-UHFFFAOYSA-N 411.554 1.908 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1589048019 QTYPXYBTXDNMKZ-SFHVURJKSA-N 412.563 1.865 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1593696340 NSMOEZMHHKYELL-HXUWFJFHSA-N 413.482 1.220 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCCOC)C1 1593807077 IAPKSXCFXZWFPV-AWEZNQCLSA-N 406.874 1.920 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1593884253 GPVXHRBCMCDUTF-GDBMZVCRSA-N 424.958 1.735 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(F)(F)F)O[C@@H](C)C1)c1cc[nH]n1 1594213081 KKOMJAIZFBGINS-JQWIXIFHSA-N 406.361 1.262 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1597054157 ZQQDNOYQORMOND-AWEZNQCLSA-N 414.886 1.740 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CC#N 1611815078 YFQNUWVUEVNMLK-HNNXBMFYSA-N 415.498 1.876 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1620106974 KSSYWVMDQGVKLQ-ZQIUZPCESA-N 414.466 1.217 30 10 HDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1nncn1C 1621798591 OZFJNPJSQWTVEL-ZDUSSCGKSA-N 411.281 1.725 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](CCO)C1CCOCC1 1622006305 ATMZXEVFIZZITL-CQSZACIVSA-N 403.298 1.777 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1623669257 LTKNOPZXTAAOGS-LPHOPBHVSA-N 420.391 1.413 30 10 HDEE CCOC(=O)C[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625387391 LVOZZXRZOAGJPT-LNWMTBOKSA-N 409.483 1.204 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1cc(F)ccc1F)c1cc[nH]n1 1626536827 HDFVAPJGWKDARO-HNNXBMFYSA-N 424.360 1.002 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N(CCC#N)c2ccc3c(c2)OCCO3)C1=O 1626888592 HKXJKGFYRAKOJS-HNNXBMFYSA-N 401.419 1.116 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1630895451 CYATUBROBJNJPN-HKUYNNGSSA-N 420.391 1.413 30 10 HDEE C[C@H](CC(=O)Nc1ccc(Cl)cc1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 1634382115 AKMZECDBGYXOAN-SNVBAGLBSA-N 420.878 1.895 30 10 HDEE N#C[C@@H](CO)NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1635480334 ALGNHLDCBWSLQZ-LBPRGKRZSA-N 413.249 1.630 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2ccccc2OC)C1)c1cc[nH]n1 1635659494 QSUHDUPQKRYVAA-KRWDZBQOSA-N 416.434 1.302 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1636327866 CTHOFLFTCHLNAH-IRXDYDNUSA-N 403.479 1.762 30 10 HDEE NS(=O)(=O)CCCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463524 JNPHPONSLSFYMS-BQBZGAKWSA-N 418.306 1.685 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(-n2nc(C)c(CCC(=O)OC)c2C)cc1)C(=O)OC 1637693000 CGMUFIKZHYDFNE-IBGZPJMESA-N 411.458 1.889 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cc(C(F)(F)F)nn1C 1638269882 BWIVTBGEQKHIDA-NSHDSACASA-N 408.388 1.521 30 10 HDEE N#C[C@@]1(C(=O)N2CCC(n3nncc3I)CC2)CCCOC1 1640511918 RBRPVXZUHMNART-AWEZNQCLSA-N 415.235 1.367 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]1(CO)c1ccccc1 1640715639 MRBSQVVPQPJIOQ-HRAATJIYSA-N 413.499 1.735 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N[C@H]2CCN(O)C2=O)C1 1641379025 MNHUHPSLFWTIRS-ZACQAIPSSA-N 403.479 1.819 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CNC(=O)c1ccccc1I 1642761198 JAXQJADBXTZWHC-GFCCVEGCSA-N 414.243 1.566 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(CC(=O)OCC)s2)cc1 1642952383 PJNXFUDXLTUSJG-UHFFFAOYSA-N 409.489 1.965 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1643372587 SCEPYRLAODZIRM-UHFFFAOYSA-N 409.817 1.584 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1CNC(=O)NC 1644192574 JDEYHXORVCAQCW-OLZOCXBDSA-N 404.895 1.179 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cn(C3CCOCC3)nc2C)c1 1644379339 QPZXYQQDPABMPW-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE COCc1ccc([C@@H]2COCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1 1644601209 SSVPOGJOQKWDTF-MOPGFXCFSA-N 404.511 1.492 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H](CO)NC(=O)c2cccc(F)n2)CC1 1647924884 PUOGNZVAFCICTK-SFHVURJKSA-N 411.437 1.286 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1652166673 JQPFHTVCLSJQHT-LXTVHRRPSA-N 414.424 1.902 30 10 HDEE N#CC[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1652244585 NRRAFOIJCJTEML-AWEZNQCLSA-N 421.397 1.477 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 1653646560 UGPMQGZCFTZDND-UHFFFAOYSA-N 414.447 1.715 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCOC3(CCS(=O)(=O)CC3)C2)cc1C 1655110210 WOAYJKNRHPIBJN-UHFFFAOYSA-N 419.547 1.830 30 10 HDEE COC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1 1655168670 FXMCCWQFTIDKPY-STQMWFEESA-N 407.261 1.932 30 10 HDEE Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)NC3(C#N)CCC3)C2)cn1 1655363755 ZIOCSMGDPFZOBC-CVEARBPZSA-N 401.511 1.730 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1C 1660901829 CDLHZAUJXIGVAY-HNNXBMFYSA-N 420.350 1.710 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1 1663033950 BQFFIXFJNFKMGD-ROUUACIJSA-N 424.542 1.861 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)n1 1663734213 NXXRZMNRJRGQHC-UHFFFAOYSA-N 410.540 1.637 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@H](CNC(=O)NC)C2)cc1 1668389002 DNIBOUIBGHECTR-SFHVURJKSA-N 415.494 1.663 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Cl)c(F)c2)CC1 1685768297 SEPBPFAJOIROLX-GFCCVEGCSA-N 402.879 1.335 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689906948 WXDPQBVQPFHKOH-FGZHOGPDSA-N 415.538 1.839 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1689942876 GFXJHDPXZCDYKA-CALCHBBNSA-N 402.543 1.471 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1689944423 QJHWBPDOKXAURG-UHFFFAOYSA-N 407.434 1.455 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1689947240 CLIMGKRSZCUPAH-OAQYLSRUSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1689966270 OERSLIDFQQZCKS-QGZVFWFLSA-N 410.503 1.484 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690299077 DGJZJTKAOHJUGC-AWEZNQCLSA-N 417.432 1.874 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1690669151 VTORVBFHIBISAJ-QGZVFWFLSA-N 421.505 1.983 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)C1 1690699668 HRYYYAJWOSILDR-QWHCGFSZSA-N 403.405 1.242 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690742752 ZYRDXVABWCJZJU-CVEARBPZSA-N 418.567 1.740 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H]2C)CC1 1690867738 FEDIFHBWQFUPDZ-QGZVFWFLSA-N 407.522 1.970 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1691003024 AUGADJMZRPDRIX-HOTGVXAUSA-N 403.508 1.852 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1691886919 AACJGPFIAYXQPQ-ULQDDVLXSA-N 416.505 1.476 30 10 HDEE CC(C)CCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692328150 VZSQWMAHBKARIA-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695504958 APKJXNFFMSPQTM-OAHLLOKOSA-N 423.525 1.086 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697027411 ASGINFLKURZSML-ZFDMEJTGSA-N 416.482 1.317 30 10 HDEE COCc1nc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1697830682 IFWVYNNMMKUUHD-QGZVFWFLSA-N 400.443 1.828 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)OC[C@@H]3C2)n1Cc1ccc(C#N)o1 1698172827 XFWRMVOGZPYTSI-KGLIPLIRSA-N 416.438 1.156 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1698444398 YVFXQFSVYBDLET-UWWQBHOKSA-N 410.478 1.465 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1698483633 HACNIBLMNPHAES-MAUKXSAKSA-N 404.471 1.260 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1705501070 WESFXZSGMLWZSH-GOSISDBHSA-N 412.586 1.624 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705530010 MTTHJEJMELTWFS-UHFFFAOYSA-N 424.896 1.994 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705565770 JZYYITBLKCISEP-BDXSIMOUSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1705571594 CJHCIXFHKLJHSV-INIZCTEOSA-N 421.501 1.869 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1705583592 CTJGGPXRKUSOON-UHFFFAOYSA-N 405.437 1.234 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1705598316 HBADCNWRYOQOIX-HZPDHXFCSA-N 417.560 1.903 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1705612402 GNDJIDUWTHCONT-OAHLLOKOSA-N 402.524 1.149 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1705613190 XAZWNRNFBGPALK-HNNXBMFYSA-N 416.507 1.179 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1705653880 RRMWTRWHQQQUMF-UHFFFAOYSA-N 418.611 1.866 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705890899 OTEYTFRHBDTXPG-KFWWJZLASA-N 407.471 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1705902413 DKBUJSZMOYXOIT-UXHICEINSA-N 424.549 1.795 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1706657210 FPBSTMSLLPLTCB-RHSMWYFYSA-N 414.507 1.289 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1708255156 HUDPMDTXZRRPGU-XLIONFOSSA-N 410.522 1.889 30 10 HDEE COCC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1712347224 HDEIVVVTVOCSJB-KRWDZBQOSA-N 424.505 1.538 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1722365654 OXGVNBPGVKGNEU-GOSISDBHSA-N 402.520 1.489 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(N)=O)c1 1722387585 MKTWNIFGXBGFDV-OALUTQOASA-N 407.474 1.222 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1722397270 ILYAPURGNJEPIE-IBGZPJMESA-N 419.485 1.786 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722457947 UWRGTHGZRBYWJQ-QGZVFWFLSA-N 415.567 1.204 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1722474094 LGJPXNWFASYSAW-OLMNPRSZSA-N 410.565 1.040 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1722516672 CORMFOCZEPAJPL-HNNXBMFYSA-N 417.601 1.767 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ncn(C)n1 1722677393 CTCQCPJUNCCTSG-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC=CCO1 1722679950 QRUVYWRVIMUHCE-HNNXBMFYSA-N 401.467 1.990 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 1722686485 BGIXKVJOTWGKBM-INIZCTEOSA-N 417.539 1.752 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)c1ccco1 1729033011 GGVVNSLZYWPYHV-NRFANRHFSA-N 424.461 1.850 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC[C@@H](O)C1 1729033112 HSPDXUGFEHEARF-RHSMWYFYSA-N 412.494 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1740558339 UTENUDROBCYDHA-HNNXBMFYSA-N 423.477 1.535 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1740607541 VCHDRZGIRSKZOY-LJQANCHMSA-N 420.539 1.095 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740638719 LVNAZYKPQHIUET-MRXNPFEDSA-N 412.494 1.169 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1COc2ccccc2O1 1740653094 ZNZGGVAUCOUEMK-SFHVURJKSA-N 402.458 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1740689071 YVPJKAMMCUYJPB-IRLDBZIGSA-N 415.538 1.692 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)c2c(C)noc2C)CC1 1740695646 ZXBDSMKHPGSWDB-HNNXBMFYSA-N 408.510 1.842 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740750749 FMRVEUPFLMAJEL-RZFLPCETSA-N 408.499 1.545 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1740862552 XLWXFSQWEROKCD-INIZCTEOSA-N 404.515 1.317 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1748665491 ROWYAFQCAWBCBP-CABCVRRESA-N 403.556 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748666400 ABMUKFHSPSXKTC-QAPCUYQASA-N 424.505 1.202 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1748925492 JMYFXBNWTHXXFS-GOSISDBHSA-N 402.520 1.857 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@@H]2CCOC2)CC1 1748984637 WXZWKXONHQRSDJ-IBGZPJMESA-N 412.538 1.482 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccccc2)CC1 1748994291 XUUGVTOBGBDOFY-DEOSSOPVSA-N 416.529 1.927 30 10 HDEE COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1749614592 ZHRWINLHOXWUHQ-ROUUACIJSA-N 408.503 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749663508 IELASWKOEJMKOS-HNNXBMFYSA-N 407.482 1.155 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H]2CC[C@H]1C2 1760210603 UKZWUOHNYREXHU-VSZNYVQBSA-N 403.552 1.787 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1760232555 APTMZXACDOWAHI-UHFFFAOYSA-N 424.553 1.826 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](c2ccc(C)o2)N2CCOCC2)CC1 1760261859 QPRNTSHTWGDOLL-IBGZPJMESA-N 412.538 1.571 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O 1760319675 PAQFVVXCOHOXOT-ROUUACIJSA-N 419.551 1.912 30 10 HDEE Cc1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762554420 YRCRTSDGNXUUNH-VUAZUDAXSA-N 406.437 1.985 30 10 HDEE CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H](C)CC#N)CC1 1765605613 DEFOPJYZOFUJQV-HOTGVXAUSA-N 424.571 1.930 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772788064 WEFQJNITTRCUDS-UHFFFAOYSA-N 415.406 1.561 30 10 HDEE Cn1ccnc1[C@@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCC(=O)N1C1CC1 1772791833 GXBJKERTZXYDPN-RDJZCZTQSA-N 408.414 1.617 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)c1cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn1)CC2 1849291223 KHZDNVOJXZEKSL-STQMWFEESA-N 410.400 1.770 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCOC1 1850616987 DJQGBKFPEHFLLG-JOCHJYFZSA-N 408.458 1.771 30 10 HDEE CCc1ccc(CN2C[C@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)cc1 1850794653 NHIWZTBENAILGY-MRXNPFEDSA-N 411.483 1.863 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc(OCC)cc2)c1COC)[C@H]1CCN(C)C1=O 1850862431 JFHBBMORPPPYNQ-KRWDZBQOSA-N 413.478 1.671 30 10 HDEE Cc1nn(C)c(NC(=O)c2cc(Br)cnc2N2CCOCC2)c1C#N 1851613426 TVUZQBQNZWDPEW-UHFFFAOYSA-N 405.256 1.847 30 10 HDEE CC(C)[C@@H](C(=O)N(c1ccccc1)c1ncc(C#N)cn1)N1CCS(=O)(=O)CC1 1851715099 KJIKGFVGOJLDAA-SFHVURJKSA-N 413.503 1.768 30 10 HDEE C#CCCN1CCN(C(=O)Cn2nc(C)n(-c3ccc(C(C)(C)C)cc3)c2=O)CC1 1852437964 FPGCJRHYUMHMDO-UHFFFAOYSA-N 409.534 1.807 30 10 HDEE Cn1nc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1C(F)(F)F 1852678326 LPPBAJHMRTWKDR-UHFFFAOYSA-N 408.384 1.685 30 10 HDEE N#CCCN1CCN(C(=O)CCONC(=N)c2cccc(Br)c2)CC1 1853587014 BWSSCDHYUNGCNW-UHFFFAOYSA-N 408.300 1.744 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)Cc3nc(C(C)C)no3)CC2=O)CC1=O 1854127496 GXDKLVAMKHGNDC-CABCVRRESA-N 403.483 1.034 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cncc(OC)c2C)C1=O 1854189144 GNGURZJUDMIKAK-QZTJIDSGSA-N 414.506 1.639 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cn4cccc4)C(=O)C3)C2)c(F)c1 1854196000 MISLCQHPKPICAD-IBGZPJMESA-N 409.465 1.444 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCOc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854283141 XDPKRBFJXNVLIP-MOPGFXCFSA-N 415.490 1.310 30 10 HDEE CCCC[C@@H](F)C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283918 QEYIKXBUHBUXSQ-WBVHZDCISA-N 402.474 1.515 30 10 HDEE CN(c1ccncn1)C1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1854472385 YNTWNXJDETYGDO-IBGZPJMESA-N 404.474 1.690 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cn3cnc4c3CCCC4)C(=O)C2)C1 1854985957 UGZJVWZBGNAGTR-MSOLQXFVSA-N 412.538 1.199 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(Cc3nnc(C(F)(F)F)o3)CC2=O)cc1 1855412102 PXIOETLVYWMGJR-UHFFFAOYSA-N 407.352 1.764 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1855615230 VEMKGDBNJLARNH-IBGZPJMESA-N 417.531 1.912 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccc(C#N)cc1 1855638947 LFBCCEGCVSDGOW-HNNXBMFYSA-N 412.490 1.984 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC(C(=O)N4CCCC4)C3)C2=O)cc1C#N 1855783910 SVKJUJUWVXUOHA-FQEVSTJZSA-N 408.502 1.942 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ccccc3F)C2)CC1 1855873574 WOCRKEUUBNMWKQ-MRXNPFEDSA-N 407.449 1.903 30 10 HDEE Cc1cc(CC(=O)N2CCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)on1 1855910148 ZDZBKMSCNRNEMR-SFHVURJKSA-N 408.462 1.132 30 10 HDEE COc1cc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)ccc1F 1856025419 CLQBHAAUNOXMMK-UHFFFAOYSA-N 411.455 1.070 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC(S(=O)(=O)c3ccc(Cl)cc3)C2)CCC1=O 1856140655 XPVVLBAUTMSPLG-ZDUSSCGKSA-N 409.895 1.477 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C(=O)C1 1856381921 XDKLBAVZSZTCRQ-HNNXBMFYSA-N 409.483 1.743 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(C(C(C)=O)C(C)=O)c3ccccc32)CC1=O 1856471561 XWLIRJXTTXEYKR-INIZCTEOSA-N 411.458 1.337 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1F 1856652770 FIYMQUZOKZFERM-INIZCTEOSA-N 409.439 1.661 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCN(CCn3cccn3)CC2)CCC1=O 1856693550 SLRKVNWEMYLKGY-VQTJNVASSA-N 401.555 1.868 30 10 HDEE Cc1cccc(C)c1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856886036 KNBSMZVYDFNZFF-INIZCTEOSA-N 405.476 1.830 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3c(c2)ncn3C)C1)[C@@H]1CCN(C)C1=O 1857277473 UYVUUHPIPXOHED-HNAYVOBHSA-N 409.490 1.281 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCS3)C2)CC1 1857378339 TXINTGVWQBKAQE-AEFFLSMTSA-N 413.547 1.736 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)CCn3ccnc3)C2)C1 1857471951 GLQPDOFQZMMONF-MRXNPFEDSA-N 408.462 1.068 30 10 HDEE C=CCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861614263 ZROBKAGNFRKHEF-ZHRRBRCNSA-N 415.490 1.803 30 10 HDEE C#CCOc1cn(CCCOCC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871004967 ILOLSDWDQBKUKL-UHFFFAOYSA-N 419.503 1.546 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(O)c1 1874435782 XDEUGLHDXMYXNP-AWQFTUOYSA-N 421.479 1.556 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1ccc(C(=O)O)cc1 1874499576 UHTXJIYLHMNEGZ-VXLYETTFSA-N 405.480 1.965 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1ccc(O)c(OC)c1 1874499577 UIPUVKHNBSWYDH-VXLYETTFSA-N 407.496 1.981 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC1(O)CC(C#N)C1 1882508284 KIRVOTXKLFUGBC-XAUUPUKJSA-N 424.475 1.224 30 10 HDEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889403958 MHXQTTGMBHVEQV-IBGZPJMESA-N 417.525 1.851 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)n1 1889404515 CMTYEUKTSAEJRF-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE CN(CC1CCN(C(=O)c2cn(-c3ccncc3)nn2)CC1)c1ncccc1C#N 1891211280 OBUCZQKLCPOARS-UHFFFAOYSA-N 402.462 1.918 30 10 HDEE C[C@H](NC(=O)N1CCN([C@H](C)c2cccc(C#N)c2)CC1)C1(S(C)(=O)=O)CC1 2087883888 GQNYDPUSHPHIAC-CVEARBPZSA-N 404.536 1.912 30 10 HDEE COC[C@@H](C)NC(=NC[C@H]1OCCOC1(C)C)N1CCN(c2ccccn2)CC1 2087918102 PPXKJAYPWKGESB-QZTJIDSGSA-N 405.543 1.378 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccccc1C#CCO 2089699523 XLKUIJGPPIKBLV-UHFFFAOYSA-N 412.467 1.849 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2141611393 GRTCJBZZVZIAHI-YWZLYKJASA-N 422.478 1.455 30 10 HDEE C#CCCN(CC(C)C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2180105141 YISFGLARYLQDRB-INIZCTEOSA-N 400.541 1.919 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)Nc1n[nH]c(CCN(C)C(=O)OC(C)(C)C)n1 2185278739 BRSRICIWCWJMON-LBPRGKRZSA-N 400.505 1.752 30 10 HDEE C=C(CS(=O)(=O)NCCN(C)C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241481254 SCIUYJARKDRPRE-UHFFFAOYSA-N 404.338 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COCC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243678107 FDAYCSBINMPHBD-GJZGRUSLSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2248572276 NXHAMEKFUOZVEN-UHFFFAOYSA-N 423.294 1.914 30 10 HDEE C#CC(CO)(CO)NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2261436417 ZEPCKXYFEKUBAT-AWEZNQCLSA-N 402.369 1.097 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2cncs2)OC1(C)C 2267467062 KZRDCZGRCYNOBZ-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE Cc1cc(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282189998 NKXSUSASBUKVAG-NWDGAFQWSA-N 401.359 1.907 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282551756 LWOUQTSWRYMZTN-HIFRSBDPSA-N 405.304 1.333 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CN1 2282835129 PPTQJFUBILDYIE-NEPJUHHUSA-N 400.737 1.668 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282841445 UTQPOYHAEWRSBP-MNOVXSKESA-N 421.777 1.950 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCn3cncn3)cc2Cl)OC1(C)C 2282843116 ILPJKAVADPKBDV-UHFFFAOYSA-N 418.737 1.271 30 10 HDEE CO[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282847420 YQSMCJHQIKLBME-YPMHNXCESA-N 402.347 1.381 30 10 HDEE CC(C)[C@H]1[C@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856626 VSYRPSMUKIIYSA-KGLIPLIRSA-N 401.359 1.827 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858912 FKCWBUHJURCLSP-NSHDSACASA-N 423.387 1.149 30 10 HDEE C[C@@H]1CNCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282867354 XOXWBPSOUCDSON-TZMCWYRMSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284393487 LMWQCLYNDDQMPX-JQWIXIFHSA-N 401.677 1.391 30 10 HDEE CC(C)(CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284407572 MPQQYHOZOROBEP-UHFFFAOYSA-N 403.331 1.578 30 10 HDEE CN(C)c1cc(C[C@H]2CN(c3nccc(C#N)n3)CCN(C3CCOCC3)C2)ncn1 2296587702 MKWUARXETLUJOL-QGZVFWFLSA-N 422.537 1.364 30 10 HDEE CC(C)(C#CC1(OCC(=O)O)CN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317431695 UCCUCLRYIHIYQJ-UHFFFAOYSA-N 409.460 1.305 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc([N+](=O)[O-])cc1 2330795024 PZVABEQUSUBPIO-UHFFFAOYSA-N 420.451 1.750 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1ccc2c(c1)OCCO2 2331563901 RWFSQMHMWLFLKP-UHFFFAOYSA-N 405.480 1.696 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)[C@H](C)C1=O 2345080042 HUIXNKFZYXKOIJ-IIBYNOLFSA-N 401.463 1.571 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1 2362317491 SCMTYAUTHKQIHR-CABCVRRESA-N 401.529 1.870 30 10 HDEE CCN[C@H](C#CC(C)(C)OC)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363595342 HXXBKAXQXYWGPQ-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@H](O)c1ncc(I)s1 2367316977 YWTIITMRKQJYOV-KQXIARHKSA-N 404.273 1.655 30 10 HDEE O=C(O)CO[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)c1ncc(I)s1 2367574534 WATBPNHEVJSMPK-QEYWKRMJSA-N 405.213 1.786 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2367791860 KPFUMZYIZJJBGV-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2367794138 YQPGPUPTZMYOLH-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COC)NC(=O)OC(C)(C)C 2367797295 UHXTZTQHJGAMSK-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367800577 KWRNCKSFMJEPCO-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369517525 UQOGVNRAPDJWRP-ZACQAIPSSA-N 401.525 1.590 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(N/N=C(\C)c3ccncc3)n2N)c1 21324476 BMBVMPLAPHUGEQ-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(-c3ccc(F)cc3)c2C)CC1 49618304 ZJFFGQVUQIKAFK-UHFFFAOYSA-N 413.497 1.617 30 10 HDEE Cn1ncc(/C(N)=N/O)c1NS(=O)(=O)c1cc(Cl)c(Br)s1 148394677 RDXAPPQKTDCTNQ-UHFFFAOYSA-N 414.694 1.793 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 410187054 UYKTWZRFTDFDKW-RTBURBONSA-N 419.551 1.103 30 10 HDEE N#Cc1ncn(CC(=O)N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)n1 426329695 HJZLZMMRPRMZQH-UHFFFAOYSA-N 411.466 1.757 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 434301789 RTHLQMAZAZIJEH-UKRRQHHQSA-N 419.425 1.654 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 437982634 FHGKOMCZMJOJDP-VQIMIIECSA-N 405.520 1.754 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 466047462 ZKXOILVWFGGJNJ-DOTOQJQBSA-N 405.524 1.057 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474839713 LJSLATTXDYGQCQ-LSDHHAIUSA-N 416.478 1.567 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1 485111498 WKNCEWHIKALLPD-NRFANRHFSA-N 401.463 1.337 30 10 HDEE COc1ccc(-n2cc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)nn2)cc1 501021022 ORSYMIQNKQWCQE-UHFFFAOYSA-N 401.423 1.906 30 10 HDEE COC(=O)COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c2cccnc12 505251360 MZBGCKBMXCPEED-UHFFFAOYSA-N 410.430 1.877 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(NC(=O)CCC)cc2)CC1 524518554 HOZVAJUJXYTILF-UHFFFAOYSA-N 401.511 1.555 30 10 HDEE N#Cc1cccc(N2CCN(c3ccc(S(=O)(=O)N4CCCCC4)cn3)CC2)n1 544836136 JBQKRSXWPAVALP-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccc(Br)cn3)CC2)n1 545502760 LNICVHUKEJMVKX-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCCO2)cc1 549520992 SSGCBZJHYCQFEU-QUCCMNQESA-N 424.505 1.429 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(CCN2CCOCC2)CC1 555243968 SRSPFEMDPCYVMP-IBGZPJMESA-N 405.543 1.881 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](CSCCc2ccccc2)C(=O)O)cc1C#N 559205216 WESBCQCIZREFHG-QGZVFWFLSA-N 405.501 1.969 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1scnc1C 576150673 GXYABSKKFHDEMW-AWEZNQCLSA-N 411.553 1.784 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)c(F)c1 586858546 BEAFIGZKLKTAKX-UHFFFAOYSA-N 416.438 1.042 30 10 HDEE COc1ccc(-c2cnc(CCC(=O)NCCN/C(O)=C3/N=CC=CC3=O)o2)cc1 732153304 MLJPCHXRKLPVKH-MRCUWXFGSA-N 410.430 1.925 30 10 HDEE COC(=O)CCOc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732429244 GEDZVHFYBBYWOM-ISLYRVAYSA-N 402.407 1.276 30 10 HDEE COc1cc(OC)c(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 732451524 WOWOPQVMOVZNRU-ISLYRVAYSA-N 404.423 1.038 30 10 HDEE COc1c(F)cc(Br)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732670744 XCQFCJPQYGZXDT-LBPRGKRZSA-N 418.288 1.958 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)cc1 732707301 XGGOADTUZMDXOF-SFHVURJKSA-N 416.441 1.883 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 741109172 PUFRFQLPBHNRRB-UHFFFAOYSA-N 412.876 1.875 30 10 HDEE COC(=O)[C@@H](c1ccc(C#N)cc1)n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 741735300 ZHRATYRUPTXAQH-QGZVFWFLSA-N 415.427 1.479 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 742092133 RWDMFQJHBHWVDU-GFCCVEGCSA-N 403.508 1.213 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(CN2CCC(O)CC2)cc1 742402622 RRMXKBVDWWQAFQ-UHFFFAOYSA-N 400.504 1.774 30 10 HDEE CCc1cnc(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 742804953 KTXZSLGFCBFVGG-GFCCVEGCSA-N 406.533 1.882 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 743729131 WXKPZOHITVJHSF-OCCSQVGLSA-N 417.556 1.972 30 10 HDEE N#C[C@H](C(=O)c1cccc(-c2noc(C3CC3)n2)c1)C(=O)N1CCS(=O)(=O)CC1 744131324 WPVFLVOUQLSGSF-OAHLLOKOSA-N 414.443 1.193 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1OC 746224841 KTDHEMXRDCBJRQ-HNNXBMFYSA-N 406.464 1.713 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 746234716 HBHMXYNYOAWXNL-ZCXUNETKSA-N 406.483 1.761 30 10 HDEE N#Cc1cc(COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)ccn1 746964579 FUSIYOCTVMAZLK-UHFFFAOYSA-N 421.862 1.985 30 10 HDEE COc1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 747266917 MRZOLRQKXMYTFY-GFCCVEGCSA-N 400.298 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNS(=O)(=O)CC2(C#N)CCCC2)CC1 758995418 CCXYFKWUKACQON-UHFFFAOYSA-N 414.572 1.933 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3scnc3C3CC3)CC2)o1 760672565 OFCGEWGCAPQDRC-UHFFFAOYSA-N 401.448 1.694 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)cc1 767126829 BJDJJYKKZOYWGK-KRWDZBQOSA-N 400.456 1.271 30 10 HDEE CN1C(=O)C[C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H]1c1ccc(Cl)cc1 768760804 ZPXOADYMOOMJBX-JENIJYKNSA-N 401.898 1.994 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)nc1 780702263 QVXMQKCSXGXVDI-OAQYLSRUSA-N 409.446 1.567 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1C1CC1 781658812 VQXJODWDOOXUKX-UHFFFAOYSA-N 412.515 1.294 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1 790873919 JIQTVOQDALOJBS-OAHLLOKOSA-N 413.471 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC(=O)Cc2ccc(C#N)cc2)CC1 792090635 OSKLLDSTLDUEER-UHFFFAOYSA-N 407.492 1.946 30 10 HDEE COC(=O)[C@@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 799601786 ZDANTGQMANHWGU-KRWDZBQOSA-N 409.414 1.619 30 10 HDEE C#CCN=c1nc(N2CC[C@@]3(CCCOC3)C2)[nH]c(N2CC[C@@]3(CCCOC3)C2)n1 804717042 WQKLPBJQVBZZNU-VXKWHMMOSA-N 412.538 1.352 30 10 HDEE C#CCC(CC#C)C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 806714577 CZKRZLBCKLZKDL-UHFFFAOYSA-N 416.499 1.344 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807938629 ZUUVXKQCPBKCOA-QGZVFWFLSA-N 408.487 1.597 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)OCc2ccccc2)n1C[C@H]1CCCO1 812309443 XAHKSBQSOSTIAM-LJQANCHMSA-N 407.474 1.956 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1 916045231 SXUVCBLZOMIAHI-UHFFFAOYSA-N 420.448 1.920 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1124987861 HERZNIYIYZRSBI-UHFFFAOYSA-N 400.236 1.904 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn(C[C@H]3CCOC3)nn2)cc1 1125087865 QULGSTVGSNCXOS-CQSZACIVSA-N 405.480 1.373 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1126374194 YKVNDMKEEIVURP-UHFFFAOYSA-N 415.519 1.421 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 1126929987 RHPCGNGWMLOZRE-FNORWQNLSA-N 409.402 1.956 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCc1nc(C#N)cs1)c1ccc(S(C)(=O)=O)cc1 1134256603 WFNVKZUOOQCZPK-QGZVFWFLSA-N 406.489 1.086 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1141020277 DMMIPAQBQGCVLJ-GHTZIAJQSA-N 410.445 1.658 30 10 HDEE C#CCN(CC(=O)NC[C@@H](O)CN1CCc2ccccc2C1)C(=O)OC(C)(C)C 1141303158 HHCRTFIQCMECRR-LJQANCHMSA-N 401.507 1.392 30 10 HDEE COCC#CC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1142817152 FSWUEYUVSMFUGB-UHFFFAOYSA-N 411.480 1.078 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1143438814 FIJVXRLGRHTVBG-DAXSKMNVSA-N 411.437 1.053 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)OCCc2ccccc21 1153380036 BLGMSPHUGLPGTL-YCRPNKLZSA-N 413.499 1.829 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[C@H]1C(F)(F)F 1155676295 IJEGLCYFNUNEPW-MNOVXSKESA-N 402.377 1.454 30 10 HDEE N#Cc1c(NC(=O)CN2CCC[C@@H]3OCCNC(=O)[C@@H]32)sc2c1CCCCC2 1175609621 AZBAAXJMRAEOGR-MAUKXSAKSA-N 402.520 1.807 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 1209343926 UYZLIVFOQWHRNU-KRWDZBQOSA-N 422.503 1.939 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCCNS(=O)(=O)Cc3ccon3)cc21 1220204283 IDUODWZVWTUSJF-UHFFFAOYSA-N 404.452 1.451 30 10 HDEE CCC(CC)[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1CCOCC1 1223073473 AEZQAGGLUWHOFA-OAQYLSRUSA-N 414.554 1.922 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCC[C@@H]2Cc2ccccc2)CC1 1226600500 SORXJOZPSUBLPL-UXHICEINSA-N 418.563 1.583 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1254285115 NYOAIELKJDKXEN-LJQANCHMSA-N 416.503 1.384 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1286315754 ZAUIEQOPQLYNKR-NRFANRHFSA-N 423.477 1.760 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC(=C)C 1286365718 HTSXXEQNMYQBBF-UHFFFAOYSA-N 417.535 1.858 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1286377309 VMEYUHLLWDQDLH-ZDUSSCGKSA-N 412.437 1.910 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286387804 IKBKLTXEUGLLJR-KRWDZBQOSA-N 415.519 1.096 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C2CC2)CC1 1286396900 JQIRTKFRRUDRJI-UHFFFAOYSA-N 417.517 1.873 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C 1286450863 ZXXDYXZGFCRCCR-KUHUBIRLSA-N 403.508 1.269 30 10 HDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(N)=O)C1 1286537692 BILGDKBJBDZAKZ-SNVBAGLBSA-N 423.271 1.226 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC)C(=O)C1 1286557359 UQPOLVPVZPNMJH-SCTDSRPQSA-N 403.527 1.822 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1286696248 YPXNHIOKEDRXBA-OAHLLOKOSA-N 409.498 1.705 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1286753661 FQPZVAYSRGKUBN-CVEARBPZSA-N 419.555 1.526 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCNC(=O)[C@H]1CC 1286791179 OVDNAQKJBZITBR-MRXNPFEDSA-N 418.448 1.164 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc2c(c1)COCC2 1288099686 FUTVGWOIVMLZBP-OAQYLSRUSA-N 412.469 1.979 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1288216958 HEVBVPJVXLZWTM-GDLZYMKVSA-N 414.535 1.689 30 10 HDEE C=C[C@@](C)(CC)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1290364728 YEIQDIIUNXTQBV-XFEOJFCRSA-N 400.479 1.440 30 10 HDEE C[C@@H]1C[C@@H](CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1291020257 CUNPOCJAQPEMHK-SJORKVTESA-N 424.505 1.870 30 10 HDEE N#Cc1ccc(CN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C2CC2)cc1 1295563202 BPGUMMADXHFRQM-HXUWFJFHSA-N 422.460 1.791 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC1 1297760256 OSVQNEQVTBTGBS-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(N)c1 1298666237 QXXVNJZAGFDBPH-AWEZNQCLSA-N 400.460 1.623 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1300357834 YZFXEADGHNMDHL-DLBZAZTESA-N 400.527 1.918 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1300408926 DFSJTFAILFKZNR-OLZOCXBDSA-N 406.430 1.361 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N(C)C1CC1 1300441563 RTXSQWRKPMTQFW-HNNXBMFYSA-N 401.536 1.901 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504350 MKXHWDIBDGIRBF-ZWKOTPCHSA-N 424.567 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCCC2=O)c1 1300506783 YOTKSISORSDLRQ-UHFFFAOYSA-N 418.501 1.664 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCS(=O)(=O)C1 1300673590 QWJTXILTNCBVTB-QGZVFWFLSA-N 422.576 1.841 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1300973228 WKFCOIQPZQEMBG-MRXNPFEDSA-N 415.498 1.763 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1301134718 ZHRGOSJKOHGSDC-OAHLLOKOSA-N 415.309 1.272 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1301458919 JVDZZUSIYFYMAN-RBUKOAKNSA-N 410.522 1.707 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCSC2)C1 1301482372 WBUDDMDLEPCJLL-BEFAXECRSA-N 409.556 1.638 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@H]1C 1301891879 ROTLAFBRWFGMLW-VQIMIIECSA-N 423.521 1.252 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1303776726 BMHGYWLLUWZZEL-FQEVSTJZSA-N 415.471 1.320 30 10 HDEE N#C[C@@]12CN(C(=O)c3[nH]c4ccccc4c3Br)C[C@H]1CS(=O)(=O)C2 1304001307 AVNIQDIXNCANQK-QFYYESIMSA-N 408.277 1.941 30 10 HDEE CCCCC[C@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1307378765 NDFWOANOYHVFGB-AWEZNQCLSA-N 406.483 1.308 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)c(=O)nc1O 1309695825 AYFCMVMMJQBYSZ-UHFFFAOYSA-N 422.772 1.471 30 10 HDEE C#CCSCCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312050212 QHYBLOGUOCJYSK-AWEZNQCLSA-N 411.524 1.404 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@H](N4CCNC4=O)C3)CC2)c1 1312944214 CRAAKUCTRBPORA-FQEVSTJZSA-N 410.522 1.722 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1313096553 CBPFVPTXALFSQS-MSOLQXFVSA-N 407.536 1.733 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1314784317 GILFEXQOKLOKIG-UHFFFAOYSA-N 420.514 1.940 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2cn(CCO)nc2C2CCOCC2)cn1 1331004522 XTZVTVSNWVLVFO-UHFFFAOYSA-N 407.434 1.474 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1358911830 DOVZBORUEIVIMG-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358960396 DFJHRYJKTUUGHS-HOCLYGCPSA-N 420.564 1.058 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1358964296 XBQQDPVGTWJQLT-MJGOQNOKSA-N 419.595 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1358970841 YXBQPCLDKWXHGL-VGOFRKELSA-N 411.481 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358971594 BAJMLQGKEXLOLV-GOSISDBHSA-N 421.501 1.521 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1358980462 VYLGRRMWJPRONZ-GOSISDBHSA-N 414.506 1.906 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(CC)s1 1358986498 XWQSAAGGJWHRHI-HXUWFJFHSA-N 414.535 1.855 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1359036326 TZMGNIHJLSCDKJ-UHFFFAOYSA-N 415.630 1.505 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1359053464 OHSIOIUWWICSKS-UHFFFAOYSA-N 403.533 1.664 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1359136278 FQCARTGZJYRQMI-UHFFFAOYSA-N 421.542 1.483 30 10 HDEE C=CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359199372 SWUSRXCKUQXJMN-KRWDZBQOSA-N 424.505 1.457 30 10 HDEE CN(C)C(=O)CNC(=O)c1ccc(NC(=O)CC2(C#N)CCOCC2)cc1Cl 1435523160 JIIFDVCTONOKSO-UHFFFAOYSA-N 406.870 1.807 30 10 HDEE C[C@@]1(C#N)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 1439706941 GEERFOJHLIJIGF-FUHWJXTLSA-N 422.463 1.279 30 10 HDEE N#C[C@@H]1CN(C(=O)CCCn2cnc3c(N)ncnc32)CCN1Cc1ccccc1 1443898646 RDTMIBHSNZAFTJ-QGZVFWFLSA-N 404.478 1.425 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 1454217941 JKUFWQJYYLKYBE-AWEZNQCLSA-N 415.519 1.570 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1462894341 FUYLTKREAOSADA-CYBMUJFWSA-N 421.924 1.799 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)[C@H](C)CC#N 1463424090 ADBVEHJSFZAQHN-OAHLLOKOSA-N 408.524 1.396 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br)C(=O)OC 1463853593 HCMPFADWVZSVFK-LBPRGKRZSA-N 418.265 1.469 30 10 HDEE C=CC(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1464340146 JTTCGWFKPMEULG-HEHNFIMWSA-N 406.508 1.863 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CCN1Cc1ccccc1 1465073952 DORXMOIVRWFZKG-ZDUSSCGKSA-N 408.867 1.431 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 1466156169 BYOZVRALSUJREM-LJQANCHMSA-N 402.495 1.391 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3nnc(O)cc3C2)C1 1467285614 AAKOQTNNRPDERK-UHFFFAOYSA-N 414.263 1.837 30 10 HDEE C=CCOC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1467516705 VKOTUJURCHFRBH-AQZMIJIOSA-N 421.494 1.634 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1467757379 WGQMAOBJJDHBLC-UHFFFAOYSA-N 421.519 1.079 30 10 HDEE COc1cc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OC(C)C 1467885541 DISPXRFEHGRLDB-UHFFFAOYSA-N 401.423 1.116 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)cc2C1=O 1468182886 NIPHOYSQZFLTPH-AWEZNQCLSA-N 417.462 1.426 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)CCOC(C)C)c1ccc(Br)cc1 1468452247 XWJHMBIQOVPZAB-HNNXBMFYSA-N 417.325 1.584 30 10 HDEE COC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 1470033079 OMJOCHMPGHHCSO-QYZOEREBSA-N 400.479 1.400 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(C(N)=O)cs3)ccc2c1=O 1472599469 DYIUWTIUACGBLI-UHFFFAOYSA-N 401.473 1.357 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCC[C@@H]1C#N 1473707008 GXUAVVXGZLZTMU-QAPCUYQASA-N 406.508 1.270 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 1474915577 DEUXYXMZSCXICP-UHFFFAOYSA-N 416.478 1.709 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1492393141 KZLZTWXKEPFKOR-QZTJIDSGSA-N 424.505 1.809 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1497971467 GPJVPHHYEQFKQA-XLIONFOSSA-N 410.522 1.957 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1503402704 POUUMLIVIVTJDZ-JOCHJYFZSA-N 423.521 1.111 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1snnc1C 1505065374 GSZPIMTYXJDMJK-HOCLYGCPSA-N 403.512 1.950 30 10 HDEE CCN(CCC#N)C(=O)CN1CCCCC[C@@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1506571040 LTDRRNMZWQWKPA-KKEPMVJESA-N 402.539 1.533 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1507601386 PEHRJJAGNORYMW-CQSZACIVSA-N 403.508 1.135 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1507634564 ZDRLISXVYFFMQF-KRWDZBQOSA-N 423.608 1.221 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507636644 CBGRJBDMMQPQFF-QZTJIDSGSA-N 414.554 1.377 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccccc1OC 1507639098 VTDPJJBPKCYCBZ-KRWDZBQOSA-N 409.490 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@](C)(CC)O1 1507653293 MJCQGJDBXQDMHJ-MBOZVWFJSA-N 404.536 1.601 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1507669308 KKWRNRQIMWQZCC-KRWDZBQOSA-N 415.519 1.491 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1noc(CC)n1 1507676118 KDDWYKYHVXATQP-LPHOPBHVSA-N 412.494 1.653 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1507868238 GGZQBIACHDXJQV-LSDHHAIUSA-N 417.963 1.988 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1507986705 GIRWZLZNGUJZKG-YOEHRIQHSA-N 404.515 1.977 30 10 HDEE CCOCc1nnc(N2CCSC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1516622141 JOCWIYMSVDJKOF-CMTMBAJVSA-N 406.512 1.283 30 10 HDEE C=CCn1cc(CNC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)nn1 1529264843 LLBQOBNJGWXEGD-GHTZIAJQSA-N 413.478 1.897 30 10 HDEE COc1cc(N2C[C@H](C(=O)Nc3nn(C)c(C)c3C#N)CC2=O)cc(OC)c1OC 1529919915 NTTCMVQUSMMBTE-GFCCVEGCSA-N 413.434 1.618 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 1531579077 BDIYUTVLUPJZFU-UHFFFAOYSA-N 403.435 1.849 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C(N)=O)nc2)cc1 1534146280 FNFHEGRSWOUUBK-QJOMJCCJSA-N 415.475 1.175 30 10 HDEE C=CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1538510190 HACBUGHTMAHNBX-UHFFFAOYSA-N 412.483 1.702 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1538973788 QBOHWIIJVIWRHM-CFZJUORYSA-N 423.539 1.464 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1539012028 DNJQVRGZPHFQPL-WMZOPIPTSA-N 424.530 1.872 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC1(CS(C)(=O)=O)CC1 1539186107 QELMMFWRHIGEQX-UHFFFAOYSA-N 402.520 1.772 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1539215738 HZJBVXJMJGXNKC-HNNXBMFYSA-N 404.496 1.106 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CC1 1539440825 BNANEXXQWZLQKB-UHFFFAOYSA-N 404.503 1.780 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@@H](COC)OC)CC1 1539441476 PZZOJZSIZCNSAZ-IBGZPJMESA-N 420.517 1.910 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1539527032 ZMUXCQNQLNRNGZ-SFHVURJKSA-N 413.547 1.981 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1539744454 LYJATHYQCPKZMJ-QGZVFWFLSA-N 420.558 1.369 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1540421952 AWXQMELFCUGKJK-HZPDHXFCSA-N 408.499 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cnnn2)C1 1540886593 GHWZRTXMHXYCLF-SFHVURJKSA-N 410.482 1.812 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1542226513 ARZMMSRTOJCDLV-SFHVURJKSA-N 404.478 1.887 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)Cn2cccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367779 NFPZYKQUZMRHTJ-MRXNPFEDSA-N 420.395 1.237 30 10 HDEE Cn1cncc1[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1557698228 VFBDGHFDIBJZSE-LNWMTBOKSA-N 403.483 1.357 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CCc2cnccn2)CC1 1560091507 LDOVAAIZLIPAPJ-LJQANCHMSA-N 422.533 1.981 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CNC2(C(=O)N3CCOCC3)CCCCC2)c1 1560220256 IFPHHCATAVTRGG-UHFFFAOYSA-N 412.490 1.467 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)CC1 1563952951 FLZGAMKNLKWSKN-UHFFFAOYSA-N 403.405 1.351 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CCN3C3CCOCC3)C2=O)cc1 1564547323 LEACPMFIDLAYJZ-UXHICEINSA-N 411.506 1.606 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccc(S(C)(=O)=O)c1 1564753807 FBEOYQWLTKFHKL-CQSZACIVSA-N 414.491 1.172 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1565156028 ACPMZGQKMLYYOA-MSOLQXFVSA-N 408.543 1.751 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1568994711 BWIXYUJINDCLHU-UONOGXRCSA-N 414.480 1.053 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 1585593433 FUMYABYGDGXODT-INIZCTEOSA-N 402.426 1.049 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)c1 1587334305 UQMDKHAHNVLTFF-UHFFFAOYSA-N 415.515 1.815 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1587645890 QJKHWTANRXTGCM-QGZVFWFLSA-N 401.536 1.671 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1587773187 DFIVQWVVHXBSTB-UHFFFAOYSA-N 410.522 1.799 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccccc1F 1587921604 CUXGFNOCZUUQSI-NRFANRHFSA-N 415.469 1.569 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588049298 DVHATYVWWQZKCM-HAWMADMCSA-N 412.581 1.329 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589070296 RXKAQZHFCKWRJL-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1589708357 JKGIATXOKNLZMV-LIRRHRJNSA-N 423.514 1.701 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1594868513 ZVURNVVEWDVZSG-FQEVSTJZSA-N 400.483 1.483 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1595303280 PFKXAEWNFQKFDT-INIZCTEOSA-N 420.539 1.160 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCOC(=O)N2)c1 1596612554 WAZFNCQAZWZDAL-UFPHYQGISA-N 408.480 1.717 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@H]1C(=O)OC 1607288655 JSXPSMMRLBHQDY-HUUCEWRRSA-N 401.419 1.088 30 10 HDEE CCOCc1nnc(N2C[C@H](C)S[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1616736421 JTSCRRNEGGGZSO-ATWJUZPFSA-N 420.539 1.671 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1617933103 FVMLLQQNCDKBEG-DNVCBOLYSA-N 416.540 1.604 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC3(CC3)c3ccc(Br)cc32)C1=O 1618137179 QVTGRDNVRMRWNW-UHFFFAOYSA-N 418.247 1.804 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)OC 1619595891 CILDJDCENOPUAE-RTBURBONSA-N 412.494 1.583 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)CCO1 1620355085 GSXZWIOVRRMBAJ-KFWWJZLASA-N 411.553 1.195 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)nn1 1622441461 MRKOYZVHVVFBJB-UHFFFAOYSA-N 405.480 1.690 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(CCC)ccc2Cl)CC1 1622498507 LRJWXHJMEJOVFK-UHFFFAOYSA-N 419.956 1.066 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 1624564855 CYJYRLRPCYLDBJ-UHFFFAOYSA-N 407.492 1.636 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1Cc2ccccc2C1=O 1626655790 LVOALMBNIVAVJY-VPWXQRGCSA-N 401.488 1.064 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 1627743387 CJQVJQXEXDDYTF-IFXJQAMLSA-N 417.462 1.964 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@H](CCC(N)=O)N1C(=O)c3ccccc3C1=O)C2 1631764217 XMYDKTLEKHSPBP-SFHVURJKSA-N 402.410 1.331 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1631900205 QNIWEGMIVXESQW-IRXDYDNUSA-N 406.527 1.234 30 10 HDEE C#CCN1CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1634011290 AZYRHDDPISAEHS-UHFFFAOYSA-N 416.547 1.453 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1634674637 VJIBNABCRGAMEW-DLBZAZTESA-N 406.527 1.898 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)CN(C(=O)OC(C)(C)C)C1 1636336886 SHMNZJPNFUNTIJ-VBKZILBWSA-N 420.510 1.779 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(NCCc4ccccn4)cc3)C[C@H]1CS(=O)(=O)C2 1636512932 WHYIVGUYPXXUBM-LAUBAEHRSA-N 410.499 1.747 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCc2c(sc(N)c2C#N)C1 1639989269 MDKLFOVKHRBNNF-UHFFFAOYSA-N 406.471 1.783 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCS2(=O)=O)C1 1640762714 WFSIPIXSHGVKJD-AWEZNQCLSA-N 412.309 1.450 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccccc3NC2=O)ccc1F 1642450361 OLJRMIYTLZGPIX-MRXNPFEDSA-N 403.435 1.583 30 10 HDEE CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@@H]1CCN(CC(F)(F)F)C1 1643996354 VMMVLZZRINKTQZ-SJORKVTESA-N 403.493 1.637 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(OC)c(O)c2)ccc1F 1644028932 ZMYHGJNGLVVDQC-UHFFFAOYSA-N 408.451 1.977 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2[C@@H](CNS2(=O)=O)C1 1644632684 CJNYWVGTEAOSEE-STQMWFEESA-N 423.564 1.050 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1645896570 ASSJIUWBYVORTJ-UHFFFAOYSA-N 421.548 1.640 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)C1 1648355502 LYRRFHCOHNUCGP-UHFFFAOYSA-N 417.314 1.601 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cc(Cl)ccc3Br)C2)c(=O)nc1O 1648790586 MWKHGPVCYHIMJP-UHFFFAOYSA-N 423.654 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)s1 1652928834 MCBHTNYBFWGOCI-CABCVRRESA-N 414.549 1.409 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1654867730 HKKSWDOCABIXHC-GOSISDBHSA-N 417.531 1.067 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2ccsc2Br)CC1 1655103253 QWYLUGUOCDEKPC-UHFFFAOYSA-N 405.339 1.802 30 10 HDEE CCOC(=O)c1sc2[nH]c([C@@H](C)N3CCN(C(=O)CC#N)CC3)nc(=O)c2c1C 1658692617 GIKKVBSXQXDIBT-GFCCVEGCSA-N 417.491 1.589 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3cccc4c3OCCO4)C2=O)cc1 1680778812 MWGUMFVAXGMUOD-LJQANCHMSA-N 420.469 1.972 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1682263226 LPVPNQKNSDYSKC-INIZCTEOSA-N 404.486 1.136 30 10 HDEE CC[C@]1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)OCCc2ccccc21 1683107918 WAMSBVCJRQOYSE-OAQYLSRUSA-N 409.446 1.265 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)c1C#N 1683970491 FJCVHRSIBNHFEP-MJGOQNOKSA-N 410.526 1.577 30 10 HDEE C=CCCSCCNC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1686988482 QAFAKOAAYKCIFD-UHFFFAOYSA-N 406.556 1.454 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)CCOC 1689835437 MSVCQAUXLAJPQO-INIZCTEOSA-N 419.551 1.385 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1689867314 RNRMGSOFEDRJQQ-YQVWRLOYSA-N 417.554 1.904 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1689985812 CCZZENFOFNLONR-CVEARBPZSA-N 417.560 1.720 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689996975 SMXOQEKJWDWKLE-JXFKEZNVSA-N 424.567 1.383 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CSCCS1 1690000113 RWOOVUOYKCHFNN-OAHLLOKOSA-N 412.544 1.847 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1N1CCOCC1 1690013635 XPMYDJAVPIEPMN-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCS2)CC1 1690110670 VUUJGVVRWXAYHE-QGZVFWFLSA-N 404.584 1.847 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1690507276 IYQGLXYGXUJVBA-SFHVURJKSA-N 413.526 1.939 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690524215 BLOCAYLYPLGQQS-AWEZNQCLSA-N 415.498 1.106 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2cnn(C)c2)CC1 1690666948 LYSTXPOQOGHXEL-UHFFFAOYSA-N 424.484 1.447 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n(C)n1 1693405294 HLMXELMRUNTCHM-PXNSSMCTSA-N 415.498 1.138 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1693506278 ARDZCMYDSWPKPE-IBGZPJMESA-N 414.535 1.215 30 10 HDEE CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1696584422 BITOECLETJYRCP-MJGOQNOKSA-N 418.505 1.900 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(C(C)=O)CC1 1698230653 KTRJCHLLHUOUIX-MNEFBYGVSA-N 418.542 1.856 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1705475376 LONAYLJXSZLQIM-CQSZACIVSA-N 415.494 1.948 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705516934 LMXWGSUBYKDBOP-ZWKOTPCHSA-N 421.567 1.590 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCS(C)(=O)=O 1705544229 IUJRFXFTGRKECG-UHFFFAOYSA-N 422.507 1.475 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1705551135 HLAZAZSFLFLMEF-CQSZACIVSA-N 421.489 1.524 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705562314 ZSCPEZVSMDNGBR-JKSUJKDBSA-N 409.556 1.333 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCCC2)CC1 1705647030 XSEZSHBVOLGRRV-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705816772 RTBYGSYCFJZXLV-MRXNPFEDSA-N 419.555 1.809 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CCO1 1706050413 SRFIZYRXRSVZJQ-LJQANCHMSA-N 412.494 1.321 30 10 HDEE CC(=O)NCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1706056078 DUAMTYYLOFQZPT-GDBMZVCRSA-N 416.457 1.812 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1706677968 BHIQCJSRZBXQTP-FXAWDEMLSA-N 416.457 1.630 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC(=O)N1C 1708177321 OWFZEZMLCHCGKW-CYBMUJFWSA-N 404.421 1.765 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1711916513 ICILYUNKEZWHFA-YLJYHZDGSA-N 424.505 1.941 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1712317910 CPCGGBHFZDBRCZ-HMFYCAOWSA-N 424.505 1.319 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1712588154 ADTSWSQRCZFJRO-DOTOQJQBSA-N 401.467 1.927 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CCO1 1712884502 MYMRLGMXCHSIQU-LSDHHAIUSA-N 402.405 1.944 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722316125 BPNQWBMGOFSKNV-ZIAGYGMSSA-N 420.457 1.751 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722368692 UYWTXNCFQUYHJV-DLBZAZTESA-N 422.551 1.225 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1c(CC)nn(C)c1OC 1722429822 WJXDMOACTCYRKK-SFHVURJKSA-N 416.526 1.959 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C/CC)CC1 1722448033 UPYCJJBICJOTPT-FUTAKVPZSA-N 419.551 1.112 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722509178 WPYCVPZJRUHYEY-IKGGRYGDSA-N 409.556 1.655 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722599087 STRQGNVROWFGES-KRWDZBQOSA-N 415.542 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722728031 NDRYSLFSKNCNKY-CABCVRRESA-N 409.556 1.182 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1722815825 QYMRUVPWXBGLJK-AVRDEDQJSA-N 421.505 1.400 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1723619706 AXUVDTKGAGZDJW-HOTGVXAUSA-N 410.478 1.711 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740569253 GKAKTJSTPAALHA-UHFFFAOYSA-N 409.538 1.790 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCCC 1740599855 GLXNYLMFLRAZDV-IAGOWNOFSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1740611386 BXUDEAVDTPOSAY-QGZVFWFLSA-N 404.465 1.689 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCOC2)C1 1740709497 HUPQWHZYBPBQEX-HXUWFJFHSA-N 412.519 1.909 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC)N2CCCC2)C1 1740979853 LRWWEHJZVCKOAX-KSZLIROESA-N 402.543 1.885 30 10 HDEE Cc1nnsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1742070396 AAJZFSILDAOKSM-GFCCVEGCSA-N 424.556 1.227 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1743782639 HHMYDTTVPSLOFR-ABSDTBQOSA-N 420.583 1.728 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@H]1CCOC1 1747655980 DSUUEWMIWKUPOJ-HKUYNNGSSA-N 413.478 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1748649311 MXIJLXIDSQKNEQ-CQSZACIVSA-N 415.494 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCOC 1748655699 DSUNIYDERTWMQH-MGPUTAFESA-N 410.482 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748678452 TXPZICJKNNCPIG-RDJZCZTQSA-N 422.455 1.985 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1748784290 IKJMNWGBFJLUHU-UHFFFAOYSA-N 420.502 1.953 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748897039 PYIHARISQXFHMJ-HSZRJFAPSA-N 402.502 1.738 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)CC)CC1 1749001041 FENRYFFFFTVFPR-UHFFFAOYSA-N 402.543 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCSC2)CC1 1749001243 NITXQYKIXDCGOK-OAHLLOKOSA-N 418.567 1.135 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749262294 MBINSDJAOVHADJ-DOTOQJQBSA-N 405.934 1.978 30 10 HDEE COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1749504204 LZTUWNVYJHHUOR-CYBMUJFWSA-N 422.511 1.264 30 10 HDEE COCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749644135 CBHISUATIQTWBD-SFHVURJKSA-N 415.542 1.507 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CC)C1 1749693658 LIRRJJDMJXEABJ-MGPUTAFESA-N 400.483 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCOCC2(CC2)C1 1749732247 UHRZDPCKWDNATQ-INIZCTEOSA-N 410.540 1.737 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1749932563 DUFFEZXSGFQVAE-YIFZBPKDSA-N 424.505 1.462 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCOCC1 1750006605 HRWZFYPSAMKNHS-AEFFLSMTSA-N 407.515 1.938 30 10 HDEE CC(C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1750811150 VCCNWLNWCXVUFB-QAPCUYQASA-N 413.519 1.685 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1751672629 IBZPIPFDIMXXEA-INIZCTEOSA-N 419.507 1.044 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1760100853 ZMJAZMPOITVKJJ-AVRDEDQJSA-N 419.570 1.623 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1760107314 NOGPHVNWWBGTCA-GJZGRUSLSA-N 416.503 1.609 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760157364 MYSUHFQCZSYFIM-UHFFFAOYSA-N 413.526 1.152 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760182999 NXJYSIDYXXPWPJ-GPMSIDNRSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760191955 CHLGTCKGTLFBBZ-QZTJIDSGSA-N 421.567 1.242 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCOC2=O)CC1 1760258417 VYUQVUMDEQMLSL-UHFFFAOYSA-N 412.469 1.682 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760327380 GNTBRTQEYSGSIK-SBHAEUEKSA-N 419.570 1.954 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1760347705 QINZJKNEQRPHAK-QGZVFWFLSA-N 403.527 1.999 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760358377 VCQOBYBURBAHAG-OKZBNKHCSA-N 403.527 1.822 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1760434016 XXQNEBWCDNEWSM-OAHLLOKOSA-N 424.571 1.446 30 10 HDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1762179435 YWOPACQLOIPRLU-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)CCO1 1763583081 WKWOVJCKRSIEPN-SFHVURJKSA-N 412.494 1.870 30 10 HDEE CCCNC(=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766232415 SLJFMSHRYUKDIU-UHFFFAOYSA-N 411.510 1.928 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1769333538 ZMYRTMVDRXYOLR-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCC(=O)N3)n1CC(F)(F)F)C2 1771531959 KFMXLMZQKSICPG-LBPRGKRZSA-N 407.356 1.326 30 10 HDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1772543480 ZHDFPKLFODCJIF-UHFFFAOYSA-N 415.494 1.913 30 10 HDEE Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCN(CCC#N)CC4)ncn3n2)c1 1851766682 TWZJIXRHQAPJFW-UHFFFAOYSA-N 419.489 1.233 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N=C1NN(c3ccc(Cl)cn3)C[C@H]1C)CS2 1852787093 QKLUYWBINAGRDE-NEPJUHHUSA-N 418.910 1.908 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C[C@H]([C@H]1CC=CCC1)N1Cc2ccccc2C1=O 1853323812 PINHIOVBHBMWBE-FXAWDEMLSA-N 414.527 1.922 30 10 HDEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1853458268 OJHNBWSUBJKGRB-UHFFFAOYSA-N 412.494 1.640 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854110488 MQQXSNNGJFJMDP-SFHVURJKSA-N 415.515 1.129 30 10 HDEE C=CCCC(=O)N1CCCC[C@H](N2CCN(c3ccc(OCC)nn3)CC2)C1=O 1854467136 YKUOTTNHSCGXMU-KRWDZBQOSA-N 401.511 1.871 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1854725983 MUFHNRHYDWUNDM-DOMZBBRYSA-N 408.380 1.394 30 10 HDEE CN1C[C@@H](C(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)CC1=O 1855453012 SPMWGMDRBYAPLA-LPHOPBHVSA-N 410.474 1.007 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCN(CCC#N)C(C)(C)C1=O 1855913143 YQJWGPBFQXUZSZ-ZDUSSCGKSA-N 414.453 1.994 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCc4ccc(Cl)cc4C3)C2=O)CC1=O 1856565844 IGBVWYNMAXJLEO-FUHWJXTLSA-N 401.894 1.860 30 10 HDEE CSc1ccccc1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857149451 KOSOICVITIABCM-KRWDZBQOSA-N 422.514 1.632 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)CCC2CCCCC2)C1=O 1857149736 LUNHQJIMTIWKFJ-IBGZPJMESA-N 410.522 1.957 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCOC[C@H]3c3cccnc3)C2=O)ccn1 1857330286 SJLPSWBTEZSCHG-PMACEKPBSA-N 405.458 1.943 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 1858316117 GAKHJLJJXOIXLF-HNNXBMFYSA-N 409.464 1.439 30 10 HDEE C=CCn1cc(OCc2ccccc2F)c(=O)cc1CN1CCN(CCO)CC1 1870345762 LNIYSCRJSGTBSP-UHFFFAOYSA-N 401.482 1.862 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC)cn1CCCn1ccnc1 1870449138 RISXXGYOJDOZNB-UHFFFAOYSA-N 400.479 1.861 30 10 HDEE COc1ccc(OCc2nnc(SCC(N)=O)n2/N=C/c2cccn2C)cc1 1874292507 HEFGZWKAJHMUSZ-KEBDBYFISA-N 400.464 1.664 30 10 HDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCCn3ccnc3)ncnc21 1875231561 STGIGEJFAZJMSR-UHFFFAOYSA-N 409.494 1.913 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(Cl)c3)CC2)CC1 1889240916 WGTFOQMKQOLMDE-UHFFFAOYSA-N 404.942 1.997 30 10 HDEE C=C(Cl)CONS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 1899486157 DISGOLPGUQBWAU-ZDUSSCGKSA-N 406.844 1.058 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](CC#N)C1 2046024210 YPKDKDWGNLFDGI-LIRRHRJNSA-N 407.467 1.966 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074708711 JFINTNHSJJINFJ-OLRZCDJHSA-N 410.492 1.539 30 10 HDEE CN(CCN(C)S(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2172714673 AZSYIDZUIOKNRR-UHFFFAOYSA-N 403.741 1.362 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)N2CCC(C#N)CC2)CCO1 2174781322 DZFHANSPZNQXNB-HUUCEWRRSA-N 402.517 1.129 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181109488 FGGHNIITOGUTBC-ZDUSSCGKSA-N 415.537 1.361 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247812382 PIMXIWFPTOXEDZ-UONOGXRCSA-N 422.287 1.590 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247827194 AVJKRNJIHVMIFW-KBPBESRZSA-N 420.319 1.885 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2247844964 KEKOIKQTLIHTKB-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2247916328 VTLRRFGBJHWYMC-STQMWFEESA-N 420.319 1.837 30 10 HDEE C=C1CC(CN(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258189281 GKEOBZWXYOWYIX-KRWDZBQOSA-N 410.492 1.682 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CCS(C)(=O)=O)s1 2281931570 FUDBTANLWWXXIN-NSHDSACASA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@H]4CO)cc2Cl)OC1(C)C 2282315009 IIKCFUGHZRBMSD-SCVCMEIPSA-N 419.761 1.702 30 10 HDEE CC[C@H](C)[C@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415169 CWIFPBHXRZJADL-RYUDHWBXSA-N 404.363 1.269 30 10 HDEE COC1CC(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282509595 MMPGTFNFHWPYRO-UHFFFAOYSA-N 401.359 1.892 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282513100 XRULCMPYKFOJHI-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE Cc1c(C(=O)NC2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591273 NUCVXMBYRWOWPA-UHFFFAOYSA-N 405.304 1.443 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1C[C@@H](N)C1 2282838909 WFXAUCGCZFVJLE-BETUJISGSA-N 400.375 1.761 30 10 HDEE CN(C[C@H]1C[C@H]1CF)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839610 GQJMSAFYYJOYAX-NWDGAFQWSA-N 404.338 1.810 30 10 HDEE C[C@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849256 YQYLZVJLZXRELY-STQMWFEESA-N 400.375 1.666 30 10 HDEE CCCN([C@@H]1CCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851808 HKUIGZPMHPYQOP-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(C2=CCC[C@@H]2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)OC1(C)C 2283943167 VHKRIHRJUJNGTP-OCCSQVGLSA-N 401.359 1.743 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3CC(O)(C(=O)O)C3)sc2Cl)OC1(C)C 2284371803 BOTTYGFFEFBGRR-UHFFFAOYSA-N 401.677 1.409 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](F)C[C@@H]3C(=O)O)s2)OC1(C)C 2284399305 IYIOYCKUXIFVGW-VHSXEESVSA-N 405.278 1.233 30 10 HDEE C/C=C/C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400656 BIBAYTHHKOSHRD-SYTKJHMZSA-N 401.315 1.745 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284406077 TZISMSPAQUCXKH-LLVKDONJSA-N 403.331 1.887 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284410386 UDEMGXJTWIMMDP-JTQLQIEISA-N 403.693 1.638 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CC(=O)O 2284414656 RYZNNJGKYAESAA-SNVBAGLBSA-N 403.331 1.745 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288910048 LXBZGSRVIDLPQB-STQMWFEESA-N 402.347 1.117 30 10 HDEE Cn1nc(Br)c(=NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[nH]1 2303356656 LDEFAIHYZUCDOT-SECBINFHSA-N 401.265 1.525 30 10 HDEE N#Cc1c[nH]cnc1=NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338914933 CHEPRFARZYSXFR-UHFFFAOYSA-N 413.459 1.368 30 10 HDEE Cn1nc(Br)c(Br)c1[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339662248 KKWMQKAKEUPOGX-SSDOTTSWSA-N 413.135 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2361663704 ZLMDWYXHDRSRJD-SWLSCSKDSA-N 408.471 1.701 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CCCS(=O)(=O)CC2)OC1(C)C 2362578198 IIGMYKIJXLNXFB-NSHDSACASA-N 400.331 1.139 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2365203371 SIBAGJQYLXUPDE-BZUAXINKSA-N 402.557 1.816 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1CC(CNC(=O)OC(C)(C)C)(OC)C1 2365213264 UAXHKEPDFBQKBO-HVEKOLDVSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](C#CC2(S(C)(=O)=O)CC2)OCCC(=O)O)CC1 2367794375 HIEMIHMNDZOPGX-ZDUSSCGKSA-N 401.481 1.484 30 10 HDEE C#Cc1c(F)cc(NC(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1F 2370307995 ROWGCGOKKAGARV-CQSZACIVSA-N 402.419 1.823 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 28902706 CAVRSQMNOPFQAT-UHFFFAOYSA-N 401.536 1.357 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(N4CCOCC4)CCSC3)cc2C1=O 29347941 ZHTNQWCDSHDRCP-NRFANRHFSA-N 415.515 1.406 30 10 HDEE N#Cc1ccc(NCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 50026153 DVKPXWHNWAMIHS-UHFFFAOYSA-N 416.459 1.335 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)CC1 109759253 BSSBQMBQMZFFBI-UHFFFAOYSA-N 402.462 1.736 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)c2ccsc2)CC1 473173349 UJWSUUDUEFQKME-RBUKOAKNSA-N 402.495 1.919 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(N3CCNC3=O)CC2)c1 490044060 CYBOVVWOTAYCQK-UHFFFAOYSA-N 407.377 1.114 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCCN2C(=O)c3ccccc3C2=O)c(F)c1 510557308 CVJFYZIRBFAIKF-UHFFFAOYSA-N 401.419 1.803 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2cccc(CO)c2)CC1 519207945 KLCSYZVOGANLPW-UHFFFAOYSA-N 414.487 1.267 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 520278123 GCYILYWIPBJPQL-GOSISDBHSA-N 406.442 1.463 30 10 HDEE CO[C@@H]1[C@@H](C)[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 539404282 FSFJWVTVYZXECI-BMGDILEWSA-N 420.535 1.634 30 10 HDEE CCCn1c(N)c(N(CCOC)C(=O)c2ccc(C3(C#N)CC3)cc2)c(O)nc1=O 539595032 NCVFZAYCRNEVPS-UHFFFAOYSA-N 411.462 1.789 30 10 HDEE CCOC(=O)c1sc([C@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1C 543542947 QNUSDIDPVMODTA-HOTGVXAUSA-N 421.567 1.971 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)n1 545503385 WKMZGESOIKFSHG-UHFFFAOYSA-N 412.457 1.771 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(COC)(C(=O)OCC)CC1 549657584 FPGACXGMSOLTJA-INIZCTEOSA-N 408.499 1.738 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cn1cc(C#N)cn1 574502323 XOXXRMSUNDLFJW-UHFFFAOYSA-N 417.491 1.967 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 580640186 VYIZJDNVNQHYCR-INIZCTEOSA-N 409.512 1.805 30 10 HDEE Cn1c(N/N=C/c2ccncc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 606629550 AUGNKHYQNWYNIF-FOKLQQMPSA-N 423.864 1.976 30 10 HDEE C[C@H](C(=O)Nc1cccc(C#N)c1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613785046 RQBYSHJVDPISNB-OAHLLOKOSA-N 410.499 1.962 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3)c2=O)cn1 732562009 YAKWPZBAONGEIS-UHFFFAOYSA-N 404.495 1.988 30 10 HDEE Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1C(=O)N1CCCC1 732705878 IJWAIXYTPXLCHP-KRWDZBQOSA-N 409.490 1.368 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 741210813 AXDMJMCLKKQYFQ-JKSUJKDBSA-N 409.408 1.582 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCN(c3cc(C)nn3C)C2=O)c1 744553456 LTOXERQZAROSQE-MRXNPFEDSA-N 418.475 1.155 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C#N 746712298 IHGNEIVQEPELGY-UHFFFAOYSA-N 421.501 1.954 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2cccc(C#N)c2)C1 749365650 YDNIZNWMSXAOPP-GOSISDBHSA-N 414.506 1.980 30 10 HDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1F 751672875 YDVGUTBENSOAFX-RDJZCZTQSA-N 422.526 1.922 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2(C)CC2)C1=O 751921853 ARZUDTWIJHUPCN-DJUDNFEDSA-N 417.579 1.792 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCc2nc(-c3ccncc3)no2)C1 756879792 BLENMIORFPNMKO-GJZGRUSLSA-N 412.450 1.939 30 10 HDEE O=C(O)C#CCNC(=O)C[C@H](O)CNC(=O)OCC1c2ccccc2-c2ccccc21 757470093 AKJUPFIIYVNAFD-HNNXBMFYSA-N 422.437 1.480 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 765011601 JSGWPBYBOJKJAR-GFCCVEGCSA-N 415.393 1.567 30 10 HDEE C=C(COC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 770584766 NLFUNUAIVNCYNR-SFHVURJKSA-N 412.801 1.909 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C 772275370 KNIASLRPZULGCY-UHFFFAOYSA-N 418.316 1.323 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N(C)C)[C@@H]1CCS(=O)(=O)C1 774146326 NATKXNGBOPTZOO-IAGOWNOFSA-N 423.535 1.138 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 774237456 SVYYWNFZAKMYJZ-MISYRCLQSA-N 403.548 1.729 30 10 HDEE C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 781398733 CJDAPJBJDBQVKP-CYBMUJFWSA-N 413.455 1.808 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCNC(=O)N2CCc3ccccc3C2)n1 790105531 NZELXSIOHGSUNR-UHFFFAOYSA-N 423.517 1.649 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCO[C@@H]4CCCC[C@@H]43)CC2)o1 796281102 XJCLWHIGIDFXPJ-ZWKOTPCHSA-N 416.478 1.784 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)Oc1ccc(C#N)cc1I 798581301 IBAJVWTXDQXIOO-NSHDSACASA-N 402.213 1.990 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)C1=O 799026137 FOQCHLCFGOCRPS-HMQMGEFJSA-N 419.522 1.694 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCn2cnc(C#N)n2)[C@H]2CCCO[C@@H]2C1(C)C 804620574 RJMMLJQXFMMIQW-KPHUOKFYSA-N 418.498 1.364 30 10 HDEE C#CCN(C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@@H]1CCS(=O)(=O)C1 806743198 NPHQBVINMIOGGP-CYBMUJFWSA-N 413.446 1.456 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 856599944 UVNLKIFLRAFCBN-QFBILLFUSA-N 403.527 1.775 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)C[C@@H](C)O1 916012515 GEAHZIRFKWOTRJ-GASCZTMLSA-N 423.564 1.227 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1128962948 XOORLJFBVJBZRF-UHFFFAOYSA-N 400.357 1.280 30 10 HDEE C=CCOCCCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1131219627 BBWXHKFVNMDBDX-UHFFFAOYSA-N 424.542 1.786 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(=O)OC 1141995176 KKUMQKDTTWZZEO-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccsc2C#N)CC1 1147253903 BGUXOMCUHOWDMC-GFCCVEGCSA-N 410.546 1.697 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCCC[C@H]1S(C)(=O)=O 1147802301 LZLOKRCUGCUECR-JKSUJKDBSA-N 416.496 1.551 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CCC4)C3)CC2)cc1 1148308247 SDJCCSDVRGCQEN-SFHVURJKSA-N 402.520 1.266 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1149650421 HEUPIMTUSFQMAW-CYBMUJFWSA-N 402.480 1.116 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1163652577 UVKIJBQKLRCAEN-IEBWSBKVSA-N 404.536 1.702 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1166752458 UDNZWKBFZSVNQS-ZIAGYGMSSA-N 402.517 1.066 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 1177718966 WRJUZTIGIHWUSD-GFOMBABLSA-N 401.488 1.856 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)C1 1177755180 YTJIUDHADIXTPE-HKUYNNGSSA-N 403.548 1.517 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCn2cc(-c3ccccc3)nn2)cc1 1181338130 AGKGSFDWRLQPQD-UHFFFAOYSA-N 409.471 1.548 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1196807263 LVDQSGKETWIBCG-BXUZGUMPSA-N 413.883 1.201 30 10 HDEE CS(=O)(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1210644023 BXGJYIFJCYIBGC-UHFFFAOYSA-N 407.311 1.518 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 1233702454 KPFNQXUTTWUKDL-HNNXBMFYSA-N 409.408 1.976 30 10 HDEE CC1(C)CO[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1248444427 NRHSHWGVQFKGAK-INIZCTEOSA-N 406.508 1.389 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1286272495 ATXTVNSDKSHJJS-ZHRRBRCNSA-N 411.506 1.924 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1286274861 PHVLBSOROZJVJI-UONOGXRCSA-N 421.523 1.412 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC=C 1286382738 ZGLSQNGRNQPCNL-HNNXBMFYSA-N 402.499 1.722 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1286400447 GIGSXPJGPNRTHS-UHFFFAOYSA-N 413.283 1.296 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CC(=O)NCC=C)CC1 1286484212 JXJAKCRDESIDON-UHFFFAOYSA-N 424.574 1.936 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286537727 CGRGACPPUCBLAK-MRXNPFEDSA-N 406.288 1.606 30 10 HDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1286710643 BIAGJUYBNXDXJH-CRAIPNDOSA-N 413.478 1.695 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC(C)(C)C1 1286781303 WTJKWJDVFZEYFQ-ZIAGYGMSSA-N 412.560 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286816482 LSXFQBOMULERTP-JKSUJKDBSA-N 424.523 1.687 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286825746 WPAFTYZENDOEDJ-CVEARBPZSA-N 418.567 1.681 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)COCC2 1288099685 FUTVGWOIVMLZBP-NRFANRHFSA-N 412.469 1.979 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1288976681 CDCJVYKEUXXWCN-KXBFYZLASA-N 402.499 1.194 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1 1291749807 RWNYJQPTQMGRDT-UHFFFAOYSA-N 401.463 1.437 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2COC3(CCCC3)O2)s1 1295644571 UFIWEOXVYDNKAI-ZDUSSCGKSA-N 400.522 1.557 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1295652500 AMLPWZQZJNNECQ-UHFFFAOYSA-N 402.466 1.868 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297131307 AZRFMXPTQXVATL-JSKCELRFSA-N 402.499 1.823 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1300300045 WBAIAJOJXBRMPN-GDBMZVCRSA-N 405.453 1.549 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CC(OCC)C1 1300303431 IWBDNQHRIOWGAY-LTQQYIGLSA-N 401.467 1.394 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300487182 HKTFDDDLNHRBLQ-NVXWUHKLSA-N 405.524 1.571 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300492847 PCDDVLNYGIKRMR-KGLIPLIRSA-N 400.451 1.206 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300495389 GZARCHOHJUYHAV-CABCVRRESA-N 421.548 1.651 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCn1ccnc1C 1300648605 HLLVOVDAVJZMKK-UHFFFAOYSA-N 408.466 1.217 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCCC2)nc1 1300671926 RMKRICXUSNSXDQ-LJQANCHMSA-N 410.522 1.912 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)cc2OCC)CC1 1300681228 LHUNFUWTLAMVAN-UHFFFAOYSA-N 424.549 1.927 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2(O)CCOCC2)CC1 1300692726 MDBGUCJLEDQEJO-UHFFFAOYSA-N 411.506 1.250 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1300806503 XINFXWQBIKBGIX-QFBILLFUSA-N 407.540 1.403 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1301281195 GTHLWJSOKFXDLK-UHFFFAOYSA-N 411.539 1.592 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCOCC1)C1CC1 1301333743 AHAGLQFMDDFMOJ-AOIWGVFYSA-N 405.543 1.878 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1301738462 VLVLPIJDQUHZFR-GCJKJVERSA-N 421.538 1.339 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1301970006 BBYHLFDZKLCXJC-QGZVFWFLSA-N 421.505 1.736 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1303003497 HTBCPVFUBGOAIV-MOPGFXCFSA-N 415.469 1.932 30 10 HDEE CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303247762 MJTBUROYBIVTKI-QGZVFWFLSA-N 419.599 1.982 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCCS(C)(=O)=O 1303360050 KFLARTLMCDMCHL-UHFFFAOYSA-N 424.571 1.761 30 10 HDEE Cc1noc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)n1 1304895801 CXDGNIPMRSGROM-GXTWGEPZSA-N 407.500 1.100 30 10 HDEE CC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1306446473 PUNYZGYLBDTXQG-MJWGMMHASA-N 400.483 1.372 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCOC)CCC(=O)OC(C)(C)C)c1 1308142603 QQCUEBSBJASFHY-UHFFFAOYSA-N 403.479 1.996 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)nn1 1310342899 PJBFSCHGYFUPGR-UHFFFAOYSA-N 422.511 1.871 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1315794058 LEBQMYOPOPSKMG-SFHVURJKSA-N 410.478 1.289 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1)OC 1315804952 JPSDOVDIDVPRNV-AWEZNQCLSA-N 416.482 1.797 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316539806 QMQJFCRQCXIDKY-DOTOQJQBSA-N 423.452 1.485 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 1317961169 QTULAYRLBXIVRJ-IBGZPJMESA-N 418.501 1.617 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2ccccc2S(=O)(=O)C(F)F)c1 1358180204 WDMMIRGUUQMJTO-UHFFFAOYSA-N 420.437 1.986 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1358887180 QWSKNNXDNHADND-AWEZNQCLSA-N 412.494 1.770 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1358944202 KKXYKEGDFFNITB-QFIPXVFZSA-N 413.522 1.879 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1358949108 SPDWXXVHERPIHF-KUHUBIRLSA-N 420.560 1.799 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1358966607 SFIBEDKQIMJQKL-SFHVURJKSA-N 416.551 1.733 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1359000358 SKHGTKVNNXFDDO-OAHLLOKOSA-N 409.556 1.555 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359033795 QJQDHNUVUUQRKB-DLBZAZTESA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCC(C)(C)C2)CC1 1359034079 BSKMBJPKTREZTR-UHFFFAOYSA-N 410.570 1.556 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359036777 IPQQPCJVCCXAGR-LJQANCHMSA-N 424.524 1.678 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359142091 APINOIWJTPXHPG-LBPRGKRZSA-N 415.951 1.628 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1359214834 MYFMPOFASCHGCC-KRWDZBQOSA-N 406.494 1.789 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359216340 UTPRFIWATUIDPK-PMPSAXMXSA-N 407.540 1.394 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359219219 JPKCLQQMVDZFAH-LJQANCHMSA-N 415.586 1.583 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)OCc2ccccc2)C1=O 1360635476 PENQMBQVSLEPMB-INIZCTEOSA-N 415.446 1.238 30 10 HDEE CCOCCOC1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1441625297 RATCEZKYNNAEBG-OAHLLOKOSA-N 423.535 1.548 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@H]4CCC[C@H]43)n[nH]2)c1C 1449588902 JPIICNUITYVOMV-SJORKVTESA-N 403.508 1.868 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3nnc(O)n3C3CC3)CC2=O)cc1Cl 1452566233 QGZHKCNTKBLDDU-LLVKDONJSA-N 400.826 1.513 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 1455114592 FQIJDJDAXZIYLM-UHFFFAOYSA-N 422.894 1.149 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@H]2CCOC2)CC1 1460859059 OCIZAHSCPCXXSY-GUDVDZBRSA-N 418.563 1.584 30 10 HDEE C=CCN(CCc1ccccc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1464652420 UOMIHYZSQZMMSF-UHFFFAOYSA-N 421.501 1.978 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC1 1470318220 PCBIJJMVVJNIFW-GFCCVEGCSA-N 402.879 1.335 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)cc1 1470454503 AADCXUQBFJFVLM-HXUWFJFHSA-N 413.451 1.770 30 10 HDEE C#C[C@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(Br)cc1 1470662139 BYWHQWACNHBTBA-ZDUSSCGKSA-N 402.314 1.750 30 10 HDEE C#CCN(C(=O)c1cc2c(=O)[nH]c(C)cn2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1471881075 DUDYXLQTYBYPFE-UHFFFAOYSA-N 413.478 1.806 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN1CCSCC1 1492901073 FKHBVHNEXQNHLP-UHFFFAOYSA-N 415.542 1.973 30 10 HDEE C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494341510 DBVAYTNTQJTSSX-HZSPNIEDSA-N 405.480 1.307 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1502727550 AZHXLECYUUNEIW-YLJYHZDGSA-N 415.498 1.025 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)C1 1505315375 PZRDIYAJMIPEAM-IBGZPJMESA-N 409.412 1.988 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1505322961 CNDZBCOKYLDOMW-JKSUJKDBSA-N 421.548 1.626 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NCC)CC1 1507577789 UPSZEFNRABQVNB-UHFFFAOYSA-N 410.522 1.625 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1507657168 RTJQXOXYZCRCBS-KRWDZBQOSA-N 422.514 1.024 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC(F)(F)CO1 1507657654 VRAQPBAQAJGLHL-CQSZACIVSA-N 419.457 1.767 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2)CC1 1507756527 ZTTXWTUAQHFTPY-GOSISDBHSA-N 410.547 1.922 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCC(=O)N1 1507762391 YNYDNLKETMRVGC-MAODMQOUSA-N 401.511 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCCOC2)C1 1508137195 KODOLUYNELWGOI-IBGZPJMESA-N 405.524 1.881 30 10 HDEE CCCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1515104060 NVYXXOOPRVGMJI-MJGOQNOKSA-N 418.505 1.948 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2Cc2nncn2C)cc1OC 1518120958 BAWBFWUWNMQCFU-UHFFFAOYSA-N 408.466 1.879 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1518444784 KXCOWRXMUYMLQX-IAGOWNOFSA-N 413.478 1.878 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1521115540 XQTNPRPSYSOZAF-ZWKOTPCHSA-N 415.542 1.206 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2ccn(CC(F)(F)F)n2)[C@H](C#N)C1 1525126776 GLKVWSAPKBMNRE-CYBMUJFWSA-N 401.389 1.959 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 1535236594 NGBJWMIOHXMEPT-UHFFFAOYSA-N 414.443 1.832 30 10 HDEE N#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccn1 1537821176 HTAZVTCQELMRSW-UHFFFAOYSA-N 401.444 1.963 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1539409026 LWMYWGAYFGNRCD-NQIIRXRSSA-N 414.510 1.493 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539417744 RVOMAUFIPGWOFS-UGKGYDQZSA-N 411.506 1.688 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)c(O)c1 1539420582 IJNNQOMJEFGQJB-UHFFFAOYSA-N 424.505 1.988 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CCOC2)CC1 1539459572 KLWXOKVAQUQMIS-JOCHJYFZSA-N 411.506 1.072 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1539616595 RMTRUDNXZKHXFH-TVFCKZIOSA-N 405.499 1.712 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1539729303 HVNYORGTSRVPFT-UHFFFAOYSA-N 418.586 1.996 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1539758939 CIRBHYDWBMPGSD-OXQOHEQNSA-N 407.515 1.238 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1539774707 DJJSEZPBQHCOLB-CYBMUJFWSA-N 404.968 1.561 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2OC)CC1 1539828920 RAYVYSSSNPHERP-XHSDSOJGSA-N 413.544 1.096 30 10 HDEE CC(C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1541531870 IRHSVVHIYYLDEF-QGZVFWFLSA-N 409.556 1.983 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1541991744 JZHOWRYNBCGQTA-GPMSIDNRSA-N 422.555 1.541 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1543318143 RAJZABNAKDNSMD-IRXDYDNUSA-N 409.485 1.119 30 10 HDEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)c2cc(C)c(C#N)cn2)cc1 1543846887 QKBCWJRXNLFBST-UHFFFAOYSA-N 402.476 1.805 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1545091323 FGBFCEVXJRKZIC-RCCFBDPRSA-N 417.558 1.752 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1554381624 FIARLHKZADGHRB-LBPRGKRZSA-N 419.436 1.016 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1555724779 RKCJTPCMITVHHR-UHFFFAOYSA-N 424.461 1.942 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555992242 LJFOYRSSTIHPCR-GWOGKKTRSA-N 411.466 1.396 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)n1 1556460765 BYWDKVOLFKJKHI-FQEVSTJZSA-N 409.490 1.648 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C(=O)OC(C)(C)C)c1 1557485596 GPZQLVZVVRWSTM-QGZVFWFLSA-N 407.488 1.666 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1562442011 BMPKSSRWFZODKC-MMSRSVNZSA-N 423.466 1.171 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 1564417090 LXZTWKCVYUHBHM-HUUCEWRRSA-N 403.545 1.780 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccn(-c3ncccc3C(F)(F)F)n2)c(=O)nc1O 1566355698 HIEOTPRYHLHFGC-UHFFFAOYSA-N 419.323 1.449 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC(=O)N(C)C)CC2)s1 1567441142 JJBAGTLDCCJUJY-UHFFFAOYSA-N 413.565 1.472 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(O[C@@H](C)C(F)(F)F)nc2C)CC1 1568701220 IYARNAISTZRVEE-AWEZNQCLSA-N 412.412 1.227 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 1569003570 IFXQPDZQIPTQBF-KPZWWZAWSA-N 414.443 1.089 30 10 HDEE O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N[C@@H]1CCCN(O)C1=O 1569676443 TVLYXLFNQSJNDO-OAHLLOKOSA-N 401.492 1.792 30 10 HDEE C#CCN(CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1583559448 ZPNGFFAKZBEVNN-JKSUJKDBSA-N 414.524 1.051 30 10 HDEE COc1cc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)ccc1C#N 1586857954 GPSBRQDPGHZTKF-HNNXBMFYSA-N 402.451 1.261 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C1CCOCC1 1587810081 NVYNWLMSMSPXLH-HTAPYJJXSA-N 413.474 1.315 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1587860791 AYEATCNAKQWUGB-DLBZAZTESA-N 421.567 1.287 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1587861062 GQIPUGDPIFHOTL-WBVHZDCISA-N 402.524 1.669 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1 1588185794 MMIORYZHNKOEMA-HSZRJFAPSA-N 422.533 1.902 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C)CCOCC2)CC1 1588733541 VZJKWPBPCAIBBR-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2cccn2)CC1 1588876873 LYKQVOGYOVKYFJ-OALUTQOASA-N 413.526 1.044 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCC=CO2)CC1 1588930452 WNCKMVRZSPIKJW-MOPGFXCFSA-N 413.522 1.831 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1589059972 LWBJCSQANSXLHW-MRXNPFEDSA-N 414.539 1.104 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1594733617 WHBFWLHLWSSQBV-RDJZCZTQSA-N 420.539 1.458 30 10 HDEE N#C[C@@]12CN(C(=O)CN(Cc3cccnc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1597371644 HBJBNLITDJQBSK-RXVVDRJESA-N 410.499 1.485 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@]2(C)Cc2ccc(F)c(F)c2)C1=O 1597386552 WUOAZTCNQJQLHB-FQEVSTJZSA-N 405.401 1.865 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnc2ccnn2c1 1607172303 JWOMEPPHKWVACF-UHFFFAOYSA-N 412.475 1.967 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCOCC1 1613261897 UOKIBDLCUZLLEO-AWEZNQCLSA-N 412.494 1.868 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)CC1 1615884679 FCVMOGRLBVJZAI-CEXWTWQISA-N 403.575 1.999 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619537028 FAQBQPCWDVUPQZ-RTWAWAEBSA-N 410.522 1.832 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccnc2)CCO1 1620354333 BUJFTJPAWXXZHM-MRXNPFEDSA-N 404.434 1.292 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CN3CCO[C@@](C)(C#N)C3)cc2F)C[C@@H](C)O1 1620623162 NGIHMLOKQGPONT-MRUHUIDDSA-N 404.486 1.670 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)[C@@]1(C#N)CCCOC1 1623493185 VVFZQXJVDWXOTA-HXUWFJFHSA-N 418.498 1.610 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3COCC4)CC2)cc1 1624062502 VGMAOKFSNJLALU-UHFFFAOYSA-N 411.483 1.778 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 1627790260 MVDOJGNCBRAWCF-INIZCTEOSA-N 402.476 1.551 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1629315332 NPOCXXRPFXIIPU-QGZVFWFLSA-N 406.479 1.703 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1630427480 NYMZPSNLPUWEOR-UHFFFAOYSA-N 415.397 1.184 30 10 HDEE Cc1ccc(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1630810507 FBLDCIHZBUJMSW-INIZCTEOSA-N 415.343 1.486 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 1631455861 AGLWSYYXNLCCBK-PMACEKPBSA-N 405.458 1.614 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(C(=O)C(OC)OC)CC2)CCCN1C(=O)OC(C)(C)C 1632562229 KVSJBCQJCBUGDB-OAQYLSRUSA-N 423.510 1.069 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCn3cccnc3=O)C2)C1 1634872696 MUVNHRDBEWEROB-TZQQIIETSA-N 415.494 1.536 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@]3(c4ccccc4)CCC(=O)NC3)C2=O)cc1 1635700576 BBIWINHGMSNMIX-GBXCKJPGSA-N 416.481 1.623 30 10 HDEE Cc1ccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 1636536522 UUPHOJADGPVPEX-UHFFFAOYSA-N 419.425 1.574 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1636664146 BVLOOFKKEXSHJF-WIYYLYMNSA-N 400.475 1.525 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 1637855608 HRNDJXLSVCBARD-INIZCTEOSA-N 403.460 1.620 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC4(CCOCC4)O3)CC2)c1C#N 1638753609 OUMJUCUYIGEKBR-MRXNPFEDSA-N 402.499 1.160 30 10 HDEE CNC(=O)[C@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(F)c1 1638952479 MHVVGPGCXAEWGX-INIZCTEOSA-N 412.417 1.636 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)cc2OC(C)C)cc1 1639550199 GRUBATNALCVRPU-UHFFFAOYSA-N 415.471 1.737 30 10 HDEE CC1(C)CO[C@@H](c2cccc(Cl)c2)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1640542474 UZFCPNHXEVIARI-OAHLLOKOSA-N 402.838 1.853 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4nccnc4C3)CC2)cc1 1641384330 RAPGTKNKHHATEW-UHFFFAOYSA-N 411.487 1.334 30 10 HDEE CN1/C(=C\C(=O)Cn2nnc(C(C)(C)S(C)(=O)=O)n2)C(C)(C)c2ccccc21 1641465323 YEWLTTUJTBZHEK-WJDWOHSUSA-N 403.508 1.833 30 10 HDEE COC(=O)[C@@H]1CSCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1644839303 ULFCVGYGKDEKAU-HNNXBMFYSA-N 424.320 1.874 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1645726369 HKWCFMJJAUUNGR-SFHVURJKSA-N 402.476 1.787 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@]4(C)CS(=O)(=O)C[C@@]4(C)C3)n[nH]2)c1C 1651433726 KOLCMIAIDKTVQL-BGYRXZFFSA-N 417.535 1.973 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 1653017337 XKIABETWPHOYKY-IBGZPJMESA-N 414.572 1.109 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(OC)c(OC)cc1Br)C(=O)OC 1655605545 GFRMFRLNPBDQHW-JTQLQIEISA-N 406.254 1.310 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2coc(-c3ccccc3C(F)(F)F)n2)c(=O)n1CCO 1656828707 VWHAOZWQUDLLNI-UHFFFAOYSA-N 420.347 1.905 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OC(C)(C)C=C3)CC1 1663746152 OSQRIRDYTPBSSK-UHFFFAOYSA-N 404.492 1.488 30 10 HDEE C=CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)CCOCC1 1664935453 XUJSPILHHPIQQN-UHFFFAOYSA-N 400.522 1.531 30 10 HDEE C#CCC1(NC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2)CCOCC1 1667637637 FTNCROQFDRGTOO-IYBDPMFKSA-N 403.483 1.213 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1674391667 WNSVIRCKDUNQOS-UHFFFAOYSA-N 423.535 1.320 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 1676080776 PHJWQMRZFBPMMC-UHFFFAOYSA-N 413.565 1.838 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ncc(Cc3ccccc3F)s2)c(=O)nc1O 1677312174 BCTHRXOAMJDVKH-UHFFFAOYSA-N 414.422 1.829 30 10 HDEE CN(C)CC#CCNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1679137950 ZJSSYXZDAJXLPI-UHFFFAOYSA-N 407.414 1.223 30 10 HDEE C#C[C@H](NC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1)C1CCOCC1 1684036836 ROYJHXDUZRQXIL-SFHVURJKSA-N 403.504 1.201 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3COCCN3C)c(C#N)c2N)cc1 1684581889 HUKWGNWUPHQLFV-QGZVFWFLSA-N 411.510 1.197 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1685655555 YMTNWLWSGSHJCN-ROUUACIJSA-N 422.489 1.924 30 10 HDEE N#CC1(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CCOCC1 1685736903 FBKOBPYNYHWKOQ-UHFFFAOYSA-N 412.537 1.521 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1687208556 OGZHMMLHRUXDRX-BBRMVZONSA-N 413.312 1.946 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 1687575551 ULYMFDKGXIUORC-GOSISDBHSA-N 407.559 1.372 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1689848346 SZRSKAHTBHEHJK-AWEZNQCLSA-N 407.478 1.973 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1-n1cccn1 1689948469 WZGGKMAQENBGKE-OAQYLSRUSA-N 407.478 1.629 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1689951172 NMWRVAJMOJKRJN-UHFFFAOYSA-N 412.313 1.326 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCN(CC)CC1 1689961397 WIMVUPRYOMAWFV-INIZCTEOSA-N 413.526 1.101 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1CCS(=O)(=O)CC1 1689966427 RNJDIAQRVWHMEV-GOSISDBHSA-N 416.503 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C2OCCO2)c1 1690025277 KRXJPMXGUFXLKT-UHFFFAOYSA-N 419.485 1.567 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCOCC1 1690031438 KENMISSASGXUCI-UHFFFAOYSA-N 401.511 1.201 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@H]1C 1690095125 FOEKZTYICYKIDD-OPYAIIAOSA-N 406.527 1.689 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690236301 LFCRPPNJUBJMMS-WNRNVDISSA-N 419.526 1.345 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C)C1CC1 1690544073 YCNMXHXYQNOTBA-UHFFFAOYSA-N 421.505 1.871 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(N)=O)c2)C1 1690696755 IKBLEOABKGVTCD-KRWDZBQOSA-N 405.462 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCNC(=O)CC1 1690719720 RPZLLYFMIWKPDK-UHFFFAOYSA-N 417.535 1.435 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1692696068 DOBTWCPDZMGODK-VQIMIIECSA-N 407.478 1.266 30 10 HDEE CN(Cc1ccccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696703054 KVKKLFWONLXMIT-VXPUYCOJSA-N 407.478 1.788 30 10 HDEE COC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697091856 YSJHEWFTQVLMRV-HNNXBMFYSA-N 411.466 1.189 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)F 1697617646 DVRVHWHESUQDTD-AWEZNQCLSA-N 423.420 1.876 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1698485775 CDPDSEGKDDRBDH-KXBFYZLASA-N 418.498 1.531 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)CCO1 1698492561 DERBXCWVLVMOMK-HZPDHXFCSA-N 409.512 1.073 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1705567486 WWTGUISXTJAFHB-PKOBYXMFSA-N 419.595 1.904 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCCC2)CC1 1705631821 AECIOSOMVUULDH-LJQANCHMSA-N 415.586 1.292 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN2c2cc(NC)ncn2)CC1 1705632883 DHWSLCAMNUMBDN-GOSISDBHSA-N 423.569 1.657 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccccc2OCCN(C)C)CC1 1705641837 VWOBWSCFBYGCHP-UHFFFAOYSA-N 422.577 1.975 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)COC)CC1 1705699846 MFMBEOKIIVEVCU-MJGOQNOKSA-N 403.527 1.822 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705828409 MWPYXHLFJJDKCE-MJGOQNOKSA-N 413.526 1.485 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)[C@@H](C)CC 1705844037 UTIBLNURNZVZKJ-MPGHIAIKSA-N 415.560 1.030 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1706078392 XAXLHYOLKBJQSK-AWEZNQCLSA-N 408.503 1.543 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1708175973 PZRRCSCZQUWYRU-VQIMIIECSA-N 423.521 1.062 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1712883828 ACZCEMMFTHHDTO-MRXNPFEDSA-N 416.507 1.164 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1c[nH]nc1C 1722350157 OBXPSMRTPGSMBT-UHFFFAOYSA-N 416.489 1.926 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1722353995 XFBWPIZVJNPWMP-SFHVURJKSA-N 406.490 1.469 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1722361645 INJJFNSMFMOVAI-XGCWNURASA-N 420.560 1.340 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(N(C)C)nc1 1722370446 KWIISXFLRZTIPQ-UHFFFAOYSA-N 407.522 1.779 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCN1CCCO[C@@H](C)C1 1722425259 SFFVDYUOHXCYGW-SFHVURJKSA-N 400.527 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)Cc1ccon1 1722729105 FMXKNRQZQPXYNZ-UHFFFAOYSA-N 422.536 1.859 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1730919038 MALSVRVMIXIODP-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1740532527 HLINLPOKLGLMCA-LSDHHAIUSA-N 417.535 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN(CC)S(C)(=O)=O 1740551925 OQJDZOFKWRJQFG-MRXNPFEDSA-N 404.540 1.393 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1740553743 UHXYTNQHHLNQRS-PBHICJAKSA-N 400.504 1.717 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1740669869 JBISJWZYVHATIP-SFHVURJKSA-N 417.535 1.958 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncccc2C)CC1 1740693080 SSTGKDKOOUBVGV-QHCPKHFHSA-N 424.549 1.826 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC)[C@@H](C)C1 1740716686 WUVRETFFRXXXEY-HNNXBMFYSA-N 416.551 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740749679 BTNFACONNNHMFK-KONPQCLYSA-N 416.526 1.112 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1740876636 VWPICKAZKLFJPN-QGZVFWFLSA-N 422.555 1.707 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1740900602 TVKZGAWMXDLABC-SFHVURJKSA-N 411.466 1.587 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740956789 QDWWMYRZZWVRMO-GDBMZVCRSA-N 414.897 1.616 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1741142330 LEVNRJFZGSFVFJ-QWHCGFSZSA-N 417.495 1.449 30 10 HDEE Cc1nnc(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)s1 1742732311 JIGHPKKUTSGRAD-INIZCTEOSA-N 410.507 1.785 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCC[C@H]1CO 1748033580 JUNBSIMUCQWMNZ-UWJYYQICSA-N 415.517 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748682071 PYDBXXSLLMALKP-IWHJNQCMSA-N 410.503 1.915 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1748744611 BUOJCJMSOYOLHO-UHFFFAOYSA-N 408.510 1.876 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccsc2)CC1 1749001501 ULQXLEXFKYHBLT-UHFFFAOYSA-N 414.535 1.492 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOCC)CC1 1749010621 UDPLWAYOLAHQJK-SFHVURJKSA-N 403.527 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749115134 MEAMWDZZZHTLKQ-NUJGCVRESA-N 416.526 1.209 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)CC1 1749286034 CUGJREGSVNVJPR-ZDUSSCGKSA-N 409.516 1.369 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1749409022 RKSSPUKNNRWCAS-UHFFFAOYSA-N 413.482 1.362 30 10 HDEE CS(=O)(=O)CCOCCn1c(Cc2ccncc2)nnc1N1CCC(C#N)CC1 1750207728 UUVAUZDXNDPATD-UHFFFAOYSA-N 418.523 1.065 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760206885 PWMIFBIHRMNZDD-SFTDATJTSA-N 423.565 1.712 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H](C)C1 1760250481 ZXAPNSRQZUTNEE-BRWVUGGUSA-N 410.540 1.081 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760354675 JPMLUTUITHNCAF-SFHVURJKSA-N 411.510 1.973 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760431089 DMKTYCBBTCSEQW-UHFFFAOYSA-N 412.560 1.243 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCOCC1 1760502761 KTGPTHSBJFLUML-UHFFFAOYSA-N 417.485 1.972 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760540410 IGVMAGJYBQUGIG-JKSUJKDBSA-N 403.508 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760552234 HLLFGKQGILHZFE-FGTMMUONSA-N 417.535 1.802 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760853127 DVXDLTVJIUVLKT-HNNXBMFYSA-N 409.494 1.256 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)n1 1762440135 GJSXWFKJXORMSW-IBGZPJMESA-N 402.478 1.450 30 10 HDEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1767356876 BGBQVMCEXYNNMH-OAHLLOKOSA-N 416.486 1.274 30 10 HDEE CCOCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768063696 HKCXVQSHNMZOFK-KRWDZBQOSA-N 403.531 1.410 30 10 HDEE COCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769737217 CIQOHGOVSUPYCK-NVXWUHKLSA-N 412.498 1.543 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCC(F)(F)F)CCO1 1771539208 QEASXJRBSMUYIO-GFCCVEGCSA-N 418.445 1.425 30 10 HDEE C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)ON1C(=O)c2ccccc2C1=O 1772791288 RCNUQBGGCLNSIG-QFIPXVFZSA-N 419.393 1.740 30 10 HDEE O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)ON1C(=O)c2ccccc2C1=O 1772791628 WKCHGNOFEAEBTO-GOSISDBHSA-N 419.393 1.217 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(I)ccn2)CC1 1849412768 YUJDMEFUGCZHIO-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE CS(=O)(=O)Nc1ccc(CC(=O)NCC#CCN2CCc3ccccc3C2)cc1 1850118811 DESBWVIPQUIRTK-UHFFFAOYSA-N 411.527 1.779 30 10 HDEE Cc1nc(=NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c(C#N)c[nH]1 1851231154 CELTUANGIZZBEX-UHFFFAOYSA-N 407.478 1.027 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(CCN3CCOCC3)C3(CCCCC3)C2=O)cc1 1853781777 NOBZTXZNQVAZTG-UHFFFAOYSA-N 410.518 1.878 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1=O 1853848460 QMBQOSFTEFCNJX-CQSZACIVSA-N 408.476 1.420 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(Cc3nnc4n3CCC4)C2)CC1=O 1853856705 VXGAXCSNCRCWDW-IRXDYDNUSA-N 400.527 1.072 30 10 HDEE C[C@@H](CCC#N)N1CCC([C@@H]2CC(=O)N(C(=O)CCCn3ncccc3=O)C2)CC1 1853889412 ZCETZWRZZBVACN-PKOBYXMFSA-N 413.522 1.803 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3cccnc3)C2=O)CC1 1854864835 ODTAVRKXTFGRJP-IBGZPJMESA-N 405.458 1.880 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC2CC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855740349 UGXZWEKHTCYMMO-LBPRGKRZSA-N 411.430 1.742 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)CC1=O)n1cncn1 1855842087 ZWPOQPAGMCGGIV-ZWKOTPCHSA-N 406.490 1.772 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)c(C)c1 1856219621 YIOFLJDTPSWTJH-MRXNPFEDSA-N 405.476 1.965 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)[C@H]1C 1856293362 PSNKMMDRNDUTOS-LSDHHAIUSA-N 406.508 1.302 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCCC2 1856351755 JOARXLXAOGOPBC-UHFFFAOYSA-N 405.476 1.671 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3csc(C4CCCC4)n3)C2)CC1=O 1856393566 LQIWEZWXTMUKOB-QGZVFWFLSA-N 401.536 1.959 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N(C(C)C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1856443376 SUJHHIXWKGNXMP-MSOLQXFVSA-N 403.504 1.505 30 10 HDEE C[C@H](C(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@@H]1CCOC1 1856907156 WRASBJBNSMFTSL-GOEBONIOSA-N 419.503 1.699 30 10 HDEE C[C@H]1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1856989523 UGJWRCZUILJIIP-SUMWQHHRSA-N 423.922 1.656 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@H]1CCN(C)C1=O 1857076375 GIEKZXHPWDNQGK-SJORKVTESA-N 418.563 1.786 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN([C@@H]3CCCCC3=O)C3(CCCC3)C2=O)CC1=O 1857117367 OGWBREAHZAKACA-DLBZAZTESA-N 401.507 1.516 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc3cccnc23)C1)[C@H]1CCN(C)C1=O 1857299509 QISDSAVSXCYDMV-QAPCUYQASA-N 407.474 1.337 30 10 HDEE CCn1ccc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)n1 1857469868 DHWZZFVTIALYOM-HNNXBMFYSA-N 408.462 1.312 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)C3CC(F)(F)C3)C2)C1 1857470801 FZCAMPCHBGQZBG-CYBMUJFWSA-N 404.417 1.827 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CC)c1=O 1861274482 MDGKQZCAKHTVGE-LJQANCHMSA-N 411.458 1.437 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CN1C(=O)c2ccccc2C1=O 1861521756 LAMPFPHPDXDPOV-SFHVURJKSA-N 409.417 1.451 30 10 HDEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCNC(C)=O)C2=O)cc1 1863336305 BAXRHHMPLHHHBM-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc(C)c1 1865728574 HRYALJFJHFGWNS-INIZCTEOSA-N 422.485 1.288 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN(C)C)n2CCCOC 1873588361 UEDBAZJIFGXTEC-UHFFFAOYSA-N 400.527 1.938 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882554504 KAXRHIZZXKREQI-HYDGNGQDSA-N 422.503 1.423 30 10 HDEE CN(CC[S@@](C)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2005012391 GDCRUOQXPOVLAK-HSZRJFAPSA-N 403.151 1.958 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(C#N)s2)s[nH]1 2067324905 YNMQYXAJNCUZDY-UHFFFAOYSA-N 401.495 1.719 30 10 HDEE CC1(C)OB(c2cnc(OCCN3CCOCC3)c(Br)c2)OC1(C)C 2119268169 OZYOYHZSXCCCKD-UHFFFAOYSA-N 413.121 1.854 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H](C(=O)N[C@@H](CCS)C(=O)O)C1 2123764253 ADIIXVUINWWDJJ-AEJSXWLSSA-N 400.419 1.921 30 10 HDEE CC1(C)OB(C=C2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)OC1(C)C 2163710486 GVBRSFSVLQWCHL-AWEZNQCLSA-N 405.347 1.157 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)CCC1(F)F 2174780120 QJNYIRGDDUEKEL-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE Cc1ncc(S(=O)(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)cc1C#N 2187515081 CKRUEKZUSYILIF-UHFFFAOYSA-N 410.481 1.361 30 10 HDEE CCS(=O)(=O)CC(=O)N(C)Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202302407 YXQSGFFRZYVHFM-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE CN(Cc1c(Br)nnn1C)c1ncccc1B1OC(C)(C)C(C)(C)O1 2232274828 AJZSJJSZIUZLBI-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NCCNC(=O)OCc2ccccc2)OC1(C)C 2241485655 BIMUPHRXHDBRLR-UHFFFAOYSA-N 414.271 1.365 30 10 HDEE C[C@@H]1CC[C@H](CNC(=O)C(F)(F)F)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243380807 FNKRXHIPXVJQPU-CHWSQXEVSA-N 402.222 1.927 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243666698 BFHOGACWFOABQQ-WDEREUQCSA-N 424.332 1.453 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2247903000 ZFMJODMQDAALAE-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE Cn1ncc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247916093 POOAJBDJYXPPKI-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE C[C@@]1(C#N)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258177772 PLIHOEMRIHPDJZ-YJBOKZPZSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3CCCC34OCCO4)c2)OC1(C)C 2267715007 QOVXWIUOLJYFHL-INIZCTEOSA-N 409.313 1.560 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CC[C@@H]3CNC4)cc2Cl)OC1(C)C 2282304407 KFTOOWAXZBVLSG-HWPZZCPQSA-N 418.777 1.731 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1CO 2282331653 QENJKDQCPXJFOM-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CSCC[C@H](O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343232 OZIIPCQAJOBVFW-CYBMUJFWSA-N 421.415 1.830 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282489485 DLGHSVKCGPJQBX-QWHCGFSZSA-N 401.359 1.856 30 10 HDEE C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489530 DNIBYNAHSGPIEE-OCCSQVGLSA-N 400.375 1.938 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C 2282492482 OXCPXIBFEAQUOX-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE CC(C)[C@H]1NCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501004 QVYNFCPKHYCCTA-UKRRQHHQSA-N 400.375 1.712 30 10 HDEE C[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505651 HEQMKBIKHVYDPF-GXTWGEPZSA-N 401.359 1.986 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282515023 LWTNEJCWCGPSAH-MNOVXSKESA-N 400.331 1.138 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282545222 HIUXUMUYTGTNHJ-ZFWWWQNUSA-N 405.304 1.333 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CC[C@H]4O)C3)cc2Cl)OC1(C)C 2282830582 WSESHOAYFLGFAU-LLVKDONJSA-N 419.761 1.846 30 10 HDEE C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852825 UUZNKBXYELCDSE-JSGCOSHPSA-N 401.359 1.971 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282857811 NFBWHHRVDWSQAM-AWEZNQCLSA-N 402.391 1.912 30 10 HDEE CNC[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282863244 OYDNBOSBVPUMJL-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CS[C@H](C)[C@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369356 WTMFJRGODLOGBI-KOLCDFICSA-N 400.331 1.685 30 10 HDEE C[C@H](CCC(=O)O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395092 HOIYKPVFVMFLPU-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2C[C@@H]2C(=O)O)OC1(C)C 2284411798 OOKFBBOXHAYQAD-NEPJUHHUSA-N 401.315 1.187 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2302855976 BQGMLVQVPXUNNA-CQSZACIVSA-N 411.267 1.891 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)C=Cc2ccc(Br)cc2)cc1 2325707571 UWVFQDFIJJLIKD-UHFFFAOYSA-N 423.288 1.995 30 10 HDEE CC1(C)COC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2361167532 DDSKZAIANIPDSE-LBPRGKRZSA-N 401.359 1.998 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 2365201570 AETTYNKCQKRTKF-OAGGEKHMSA-N 402.557 1.673 30 10 HDEE N[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@H](O)c1c(Br)cncc1Br 2367291139 OTYUCMFJIDUDOM-DIUUZDHRSA-N 402.086 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2367786991 JMBRKOIAGKYHDY-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1 2367792246 MTFGISFBMNZISG-HRCADAONSA-N 400.541 1.332 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367803597 MHLVOMWVLBDFCK-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805787 FGZKPGIAKKENQV-QMTMVMCOSA-N 400.541 1.340 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2c(F)cccc2I)CC1 2367837327 UJYCMWDWWDXBKF-LLVKDONJSA-N 408.236 1.515 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(OCC)ccc21 13794955 WUWWFBQCWFGLLR-JVMRMLDLSA-N 421.544 1.976 30 10 HDEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)/N=C1\N=C(O)CN1 50222433 BBFGVNQUAXSNQD-NSHDSACASA-N 413.297 1.743 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 71530347 GCZDKEUIOKCTRA-UHFFFAOYSA-N 401.491 1.483 30 10 HDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 71530645 OMFRFDHSQYHEPV-CYBMUJFWSA-N 409.489 1.810 30 10 HDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 71555342 JCGVPFMSZPZKPN-LLVKDONJSA-N 416.521 1.863 30 10 HDEE O=C1[C@@H]2[C@@H](C(=O)N1CC(=O)N1CCS/C1=N/CCc1ccccc1)[C@H]1C=C[C@H]2C1 104760885 RCKSFFQLHFBSNY-RULZBPGLSA-N 409.511 1.968 30 10 HDEE O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CC(=O)N1CCS/C1=N/CCc1ccccc1 254594334 RCKSFFQLHFBSNY-PQVVBRQCSA-N 409.511 1.968 30 10 HDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254608629 SBUZTPLJWLNWOQ-HRCADAONSA-N 410.517 1.471 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2ccc(Br)o2)CC1 302893256 XNEKVZGDRHBWTI-UHFFFAOYSA-N 418.251 1.387 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 427790410 SHDGPNOEHIPUEY-UHFFFAOYSA-N 422.488 1.083 30 10 HDEE CCCOc1cccnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 428276795 MXUWOCWDJAIGLI-UHFFFAOYSA-N 414.487 1.889 30 10 HDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCC2(CC#N)CC2)c1OC 431148640 HYHSEWWDALOBCC-UHFFFAOYSA-N 423.491 1.148 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C)c(C(=O)N3CCOCC3)c2)C1=O 439404948 ANYWVGNQJKRBFT-SFHVURJKSA-N 400.479 1.718 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)O)C[C@@H](OCC)C2(C)C)cc1 439713968 APWQYHVQNHJRID-DNVCBOLYSA-N 410.492 1.539 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@@H]1C 460541259 CHUJLHCOVUIIAH-HNNXBMFYSA-N 405.524 1.997 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 471651295 BQFYFUCFLQLISZ-UHFFFAOYSA-N 416.488 1.048 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 472464002 HMXIUWSBCBJFBB-GOSISDBHSA-N 412.494 1.722 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]2CCCO2)c1=O 497578724 MUCZISDIIHZDTO-HNNXBMFYSA-N 414.531 1.331 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-c3noc(C(F)(F)F)n3)cc2)CC1 499720818 SLLGUQUEFIBIRJ-UHFFFAOYSA-N 423.395 1.815 30 10 HDEE C=CCn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(F)(F)Oc1ccccc1 508464237 LGMHYAOUSNLGMO-UHFFFAOYSA-N 413.450 1.674 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 515160180 OGPRSQLGBWEZNQ-HNNXBMFYSA-N 409.533 1.398 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc(OCC)cc2C(N)=O)c1 523125146 DEMCAARDFSXRLI-UHFFFAOYSA-N 403.460 1.901 30 10 HDEE COC[C@](C)(C#N)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 536073639 ULWFFUYGYCQXFS-NHYWBVRUSA-N 403.298 1.904 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 537815662 JOMCKVXBJAEKOM-QGZVFWFLSA-N 400.460 1.899 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(O)(CN2CCOCC2)CC1 542365630 DSRLRPAJIMGZBE-FQEVSTJZSA-N 401.507 1.647 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)COc3ccc(N4CCCC4=O)cc3)CC2)n1 544832753 VXARNLHBTWZNGL-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cc1 544835005 SBTKBXBATYWSMV-KNQAVFIVSA-N 419.485 1.830 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 549275283 ZWDFKKZWRXTRSG-UHFFFAOYSA-N 424.549 1.876 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)CC3Cc4ccccc4C3)C2=O)cc1 567085581 ANEHWDVKCPIOFL-OAQYLSRUSA-N 409.511 1.994 30 10 HDEE CN(CCc1noc(C2CN(C(=O)c3cccc(C#N)c3)C2)n1)C(=O)C1CCOCC1 575549148 HXJWSKTXMQWGLY-UHFFFAOYSA-N 423.473 1.608 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 583113258 DBHZFIFADYTXKZ-UHFFFAOYSA-N 405.486 1.477 30 10 HDEE C#CCN(c1ccc2c(c1)N(C)C(=O)CO2)S(=O)(=O)c1cc(OC)ccc1OC 586247138 AOEDGFUMRLSXIY-UHFFFAOYSA-N 416.455 1.888 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)O[C@@H](C)CC)nc1C 586300873 BOZJBFFFNZQHOG-ZHZWEUQESA-N 402.494 1.823 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](CNC(=O)c3ccccc3)C2)c(F)c1 586860689 NRVLUWVNHQACAY-QGZVFWFLSA-N 422.460 1.982 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(C)c2)c(=O)n1-c1ccccc1C 589761880 WMJUJIKQWJCUDN-UHFFFAOYSA-N 419.506 1.774 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 610704853 TWMOINOAURMIHP-UONOGXRCSA-N 404.430 1.070 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C(N)=O)c2)cc1 614831264 QEPFJXMDWTUDLJ-UHFFFAOYSA-N 409.489 1.393 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)c3cccc(S(N)(=O)=O)c3)cc2C1=O 622700988 HEBDOKRRMGDMHJ-LBPRGKRZSA-N 413.455 1.607 30 10 HDEE C#CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 729334822 WCFJZSCFZYNNBI-ZWOKBUDYSA-N 404.532 1.558 30 10 HDEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649718 PDBLWKVDNPKBJW-KRWDZBQOSA-N 405.520 1.838 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732651997 LYVAMCOQKCPTBF-KRWDZBQOSA-N 420.510 1.813 30 10 HDEE CN1CCN([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2cccs2)CC1 732699899 DLQCMITUNVLFTH-QZTJIDSGSA-N 402.568 1.418 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)C)c2)c1=O 732795614 PMZYVHZDHYDBFR-UHFFFAOYSA-N 400.504 1.206 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(N2CCCCC2)cc1 737304677 BUZFRBFQQDPMDD-VHEBQXMUSA-N 411.462 1.258 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1Cc1ccccc1 737304965 DOHACUKMSOWZPB-QZQOTICOSA-N 418.453 1.859 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 747382153 TXIFDVSUZGQGSY-NXSRCCIVSA-N 410.521 1.359 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 749024468 ZHXWBRCQGBIURN-SFHVURJKSA-N 411.455 1.853 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCCNC(=O)c1ccccc1 749860470 VHGDRGUQWPMHFU-UHFFFAOYSA-N 414.487 1.052 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C(=O)NC[C@H]3C2)cc1OC 752753509 LPWGZZIXVWBHKI-INIZCTEOSA-N 404.467 1.461 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 755000265 DPGUWWDPYMUOGC-GFCCVEGCSA-N 418.441 1.833 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2ccc(F)c(F)c2C1 768373701 HYFYDFHGHXKZQA-UHFFFAOYSA-N 405.426 1.978 30 10 HDEE COc1ccc(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1C#N 772034200 YEHBUXCJTTYTID-UHFFFAOYSA-N 409.446 1.814 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1)[C@@H]1CCS(=O)(=O)C1 774241336 LLXSTYAZMZZJHL-UONOGXRCSA-N 418.475 1.638 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 779217808 BVZLDSCHBPIUKO-YPKPFQOOSA-N 402.398 1.179 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 779712410 IPVFDGNFKJSMHD-DLBZAZTESA-N 423.558 1.261 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c([N+](=O)[O-])ccc(C)c2C)n1 788693895 HVRMJAULARSZRM-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE C[C@H](C(=O)Oc1cc([N+](=O)[O-])ccc1I)n1cnc(C#N)n1 798502429 OXEZFYADIQXMFZ-SSDOTTSWSA-N 413.131 1.829 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1Br 804959845 JHJDRECBCHHLSO-CYBMUJFWSA-N 406.323 1.401 30 10 HDEE CCN1CCCN(C(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)CC1=O 807249746 FUTAUWXORYXKOP-UHFFFAOYSA-N 410.499 1.984 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)c1C#N 810023557 YEZQRYBHSXMUKF-NSHDSACASA-N 404.393 1.827 30 10 HDEE C=C(C)C(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1124480755 WBZQIPHELVLDRR-CQSZACIVSA-N 400.522 1.693 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1127464698 XXIJQHBZHHXDDW-YLJYHZDGSA-N 406.504 1.752 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CCn3cc([N+](=O)[O-])nc3C)c2C#N)C1 1131405545 JTCSXTOXJXGCJT-UHFFFAOYSA-N 402.436 1.966 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ccnn2C1 1133019985 YUGMUYLAFGWATF-OAHLLOKOSA-N 413.503 1.838 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1 1136654688 RXWXGFJMJDRKAL-UHFFFAOYSA-N 411.361 1.770 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1 1136927360 ZRTJBXMBQLJFAD-HXUWFJFHSA-N 406.571 1.639 30 10 HDEE C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141412060 XFBNXKIABMZYKQ-CQSZACIVSA-N 407.492 1.369 30 10 HDEE C[C@@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)N1CCS(=O)(=O)CC1 1143814797 WFQILBGHDPSEHT-OAHLLOKOSA-N 403.504 1.132 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n1 1178039035 KPTNNDHHEBDWMB-UHFFFAOYSA-N 422.489 1.866 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)[C@@H]1CCCc2ccccc21 1178954790 PKMLDSNIGGEDQK-WSTZPKSXSA-N 414.527 1.561 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 1211848506 CUPLMBRMUZNLKE-UONOGXRCSA-N 419.322 1.661 30 10 HDEE C#CCN(C(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1223654779 KWTOXQJZPMGWKW-FUHWJXTLSA-N 408.543 1.750 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1271650567 WUSYSDMUOFBQNC-UHFFFAOYSA-N 400.545 1.208 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1286389125 YMABEJDIHVGOIH-JKSUJKDBSA-N 422.507 1.135 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1286507863 CROMAAPQXSXMOV-SJLPKXTDSA-N 416.551 1.943 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286567050 UJHKTJBPKPABKT-BJLQDIEVSA-N 403.527 1.553 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286702344 LGSYWIZDDBBRON-INIZCTEOSA-N 404.540 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286780477 VRZNGBGVHLUCGE-AWEZNQCLSA-N 402.886 1.602 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(O)cc2)C1 1286801588 ZYGATDXIAJAWAY-RHSMWYFYSA-N 421.523 1.424 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)COCCO1 1289053032 TWNXKXRXEVJFJR-LAUBAEHRSA-N 410.478 1.324 30 10 HDEE C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1291131370 APJIUDGQZSPYRR-HNNXBMFYSA-N 415.519 1.745 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)C1 1294492589 JVJUELQLUVAOJT-CELYABABSA-N 402.495 1.653 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 1297278477 JEBVKILDAIFVRP-HNNXBMFYSA-N 409.508 1.565 30 10 HDEE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@H]1CCSC1 1298158789 BQNYHKRGSFATCN-STQMWFEESA-N 407.521 1.635 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1299178722 IUMRBCSOAJWDFD-RNCFNFMXSA-N 407.220 1.115 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300285192 XZIWYLGDZSDMNQ-MDOVXXIYSA-N 418.519 1.346 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1300396576 YUIOMDIQCDVTFS-NRFANRHFSA-N 410.511 1.942 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300855279 DQLMRNPZCXSXNL-NJNPRVFISA-N 424.505 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1301212850 HXJVQMZGSOQLDB-AWEZNQCLSA-N 419.482 1.364 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1301492235 BMNUSZMCCOJZCL-OAHLLOKOSA-N 419.489 1.462 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301508379 JGFRGUTYAOIRHX-ZBFHGGJFSA-N 418.542 1.882 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3)C(=O)C2)c1 1302605092 WPPPZZFEKNBBFX-UHFFFAOYSA-N 401.419 1.612 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1 1302924356 KWBMMCYEIYAGAP-UHFFFAOYSA-N 400.504 1.226 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCO[C@H]2C)n1 1304750305 BVBAAXYKYOSISG-LAUBAEHRSA-N 413.526 1.810 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c2sccc12 1306930478 ACMNVSMYIYQNAM-UHFFFAOYSA-N 417.472 1.371 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(c3ncccn3)CCC2)CC1 1308034244 UOXUQVDCNBNEDM-IBGZPJMESA-N 408.481 1.994 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1nnc2n1CCN(C)C2=O 1308067371 CXRDAFJZCWJGNK-AWEZNQCLSA-N 402.524 1.460 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1 1309533366 ZIWLQMGUADLVFB-AWEZNQCLSA-N 405.442 1.907 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)C1 1311770743 ZUMJOQAFVZBIGH-LJQANCHMSA-N 406.552 1.411 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC2(CCOCC2)O1 1313360402 CVJQQYDKWADZIY-HZPDHXFCSA-N 400.483 1.297 30 10 HDEE Cc1c(C#N)cccc1C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 1321309183 AARIYLAXQUOKGU-UHFFFAOYSA-N 411.443 1.693 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(O)n2)c1 1354588020 WCQJRUZVARGAST-LTGZKZEYSA-N 405.480 1.971 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358910242 ISENTBMFLMEPJN-UHFFFAOYSA-N 409.538 1.662 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc(C)s1 1358999397 PVISJKXRMMFBAE-RDJZCZTQSA-N 400.508 1.673 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1359008772 ZVUMZJBQSIYSES-GJZGRUSLSA-N 404.515 1.850 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1359017249 YPYQSFJDOZLKJG-MRXNPFEDSA-N 419.482 1.053 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359035820 FIACTQXYBXLDBR-OALUTQOASA-N 400.571 1.658 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359041085 MWVSLBMUIYDIDW-HZPDHXFCSA-N 421.567 1.192 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359053820 ZFLIIZDHVPXGRO-KRWDZBQOSA-N 408.487 1.824 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1359054795 IBOVWUUCYCPZCB-INIZCTEOSA-N 413.551 1.844 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359059372 LCYYIAAFJLLDNK-INIZCTEOSA-N 423.546 1.550 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1359127430 QBWWSIMEWWTYNP-UHFFFAOYSA-N 401.515 1.559 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359207299 GMTONESBNCZVTK-UHFFFAOYSA-N 405.547 1.029 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1359272167 MLUOWBJJIQYRKZ-MRXNPFEDSA-N 416.551 1.868 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359299405 DJNHHOZZYZTVQI-SJORKVTESA-N 418.542 1.167 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1359302799 UTCFVAIKHCRHDG-LJQANCHMSA-N 400.508 1.092 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCOCC2)C1 1359319248 WANJUMLESDNOMS-SJLPKXTDSA-N 401.515 1.181 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)CC1 1359330567 WPIAPXLBMVKFMS-UHFFFAOYSA-N 418.567 1.719 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1439610093 DEMSRTDDVWYXHF-ZWOKBUDYSA-N 417.487 1.042 30 10 HDEE CCCNC(=O)C1(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CCCCC1 1443058900 MYOCXFGVZCZNID-UHFFFAOYSA-N 407.471 1.039 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)cc2)nc1 1451161654 PKHQRHQEMONSOO-QZTJIDSGSA-N 413.455 1.774 30 10 HDEE CN(CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)S(=O)(=O)c1cccnc1 1454874868 HZXNLPFTHJYAGH-UHFFFAOYSA-N 417.466 1.062 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)N(C)C)nc2)ccc1F 1455557437 CIVAYMLDNGCCBL-UHFFFAOYSA-N 406.439 1.639 30 10 HDEE CN(CCC#N)C(=O)CCN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1459992319 IBRSQSINJDGRIG-QGZVFWFLSA-N 423.558 1.634 30 10 HDEE COC(C)(C)[C@H](C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1460833057 QVZQXGXXEGWKGB-AWEZNQCLSA-N 401.467 1.858 30 10 HDEE CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N(C)C)cn2C)c(C#N)cn1CC 1460984908 DVDVDSDOEAPPEU-UHFFFAOYSA-N 421.479 1.397 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cn(C)nc2C2CCCC2)n1 1463634459 QBGKLXSYVIIGPQ-UHFFFAOYSA-N 405.524 1.745 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CCc3c(Br)cccc32)c(=O)nc1O 1464786412 CGIJIGVNVAQDOZ-AWEZNQCLSA-N 403.236 1.777 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](C#N)C1CCCCC1 1465505056 HMWDMBUSUOHYCI-GJZGRUSLSA-N 401.529 1.903 30 10 HDEE C#CCC[C@@H](O)CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1467456584 XHOVHHXNKOSOOF-OAHLLOKOSA-N 406.280 1.411 30 10 HDEE C=CCn1cc(CNC(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nn1 1469215639 GTXGUKAPJXPLMS-UHFFFAOYSA-N 413.478 1.463 30 10 HDEE N#Cc1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c(F)c1Br 1472643205 BRGORZUILPPJES-GFCCVEGCSA-N 402.289 1.769 30 10 HDEE C[C@]1(C#N)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1473661975 FOYYBHNXXWWTAD-HXUWFJFHSA-N 420.535 1.506 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)c1 1475714288 DGIJEEYIFIFFFF-BHIYHBOVSA-N 424.519 1.186 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507628161 VFJOBFWRNIJRLO-VIPLHTEESA-N 422.551 1.526 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCC[C@H]1C 1507656276 DXGZGAPBQPTPGL-IERDGZPVSA-N 411.531 1.894 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1507731847 QRZOMYNCKJMDQI-OXJNMPFZSA-N 401.536 1.506 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507743980 MBHLTGYYVWDTFH-LSDHHAIUSA-N 416.555 1.690 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CC2)CC1 1507791021 GTOMNFBGLHCBGQ-RBUKOAKNSA-N 416.570 1.930 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)nn(C)c1C 1507835936 RHDNDCCQWCAXBV-UHFFFAOYSA-N 403.531 1.996 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCO2)nnc1[C@]1(OC(C)C)CCOC1 1508096703 CAPFGQWJORZGSW-UZLBHIALSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC)[C@H](C)C1 1508137169 KKSRIYKJDWCCRL-MRXNPFEDSA-N 406.556 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCCO1 1508143721 JTVTWDMDGKWSRI-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(N)=O)c1 1508425829 CJUMLMFOHMCTIA-OAHLLOKOSA-N 409.494 1.338 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(C)C)cc1 1509692366 GSKQTMCWMBZMNZ-GOSISDBHSA-N 412.494 1.981 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517221966 FQODWZXISYWVRJ-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1)OC 1518732493 USSYNIKZZZIAOR-BBWFWOEESA-N 413.434 1.592 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CCO1 1521121042 GBDPMYUJDYTYLJ-MRXNPFEDSA-N 410.482 1.140 30 10 HDEE C#CCSCC(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1524615812 PUVOEKAXVCWTBO-UHFFFAOYSA-N 407.517 1.513 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(C)(C)C 1535370742 BDSMSOYIKXXCKZ-UHFFFAOYSA-N 423.510 1.552 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccccc1 1537488511 NZDZGFNQUYMBHA-FQEVSTJZSA-N 419.503 1.130 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539203435 PSVNTBGSOTZEEG-NTLWEQJWSA-N 420.579 1.969 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1539215839 JVULGUCAFMOQHS-SFHVURJKSA-N 423.498 1.721 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(COC)CCCC1 1539266456 QUABXHHQUDDGBN-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1539343082 DBZMGJKBUJKVHD-GJZGRUSLSA-N 403.508 1.524 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCN(CC)C2)CC1 1539459510 HTPHYOGPTUPKAK-NRFANRHFSA-N 422.577 1.997 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 1539496148 CSAYKDODMFFJLK-UHFFFAOYSA-N 419.576 1.854 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1539519808 LFPIUPQTIMJBKU-UHFFFAOYSA-N 418.611 1.778 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1539557581 XLAPUXFZZDPCDP-KBXCAEBGSA-N 416.494 1.844 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539669026 JBHCLIJUGMGWBA-IAGOWNOFSA-N 411.572 1.999 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C)C1CC1 1540094324 FPXNISPNGVKLHL-DYESRHJHSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1540873581 CSLCNAYVBPUZPR-UHFFFAOYSA-N 405.506 1.731 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1541799889 OSTBNJKYXJXJFI-CYBMUJFWSA-N 423.930 1.767 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2CCC[C@@H](C(N)=O)C2)CC1 1542638025 SNENFQFDXFCFAA-GOSISDBHSA-N 420.554 1.341 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(O)CCCC1(C)C 1543317642 ANQXTHFOKIRKKH-BTYIYWSLSA-N 410.526 1.905 30 10 HDEE CCn1c(S)nnc1CCNC(=O)COc1cccc(Br)c1C#N 1543512020 BKRWKTFAZZHXOJ-UHFFFAOYSA-N 410.297 1.959 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](NC(=O)OCC)C2)s1 1544117822 CUGCEYCTXNACET-CYBMUJFWSA-N 415.537 1.492 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1554704410 DSJZJGGLEOHVSN-UHFFFAOYSA-N 412.494 1.822 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1555716936 XEEFGDWTYOXTSC-SFHVURJKSA-N 412.494 1.572 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCC(F)F)cc1 1555989396 JVMNHDNVLNKDHU-INIZCTEOSA-N 416.432 1.909 30 10 HDEE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1556782448 IFJWLVCXKPONOA-HZPDHXFCSA-N 405.520 1.996 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)C(=O)OC 1556971017 OSDNCOXILRJVJD-MRXNPFEDSA-N 406.866 1.882 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cccnc2)C(C)(C)CO)c1 1557216624 FWMSLHTWYXUWPX-SFHVURJKSA-N 401.488 1.483 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1557926039 VPJWBQSDKROMNJ-UHFFFAOYSA-N 404.423 1.258 30 10 HDEE N#C[C@@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)CCN1C1CC1 1557940603 BSMMFBBDKFXTNP-SECBINFHSA-N 418.093 1.002 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OC 1558382874 HBJKXSYTGNKKBV-CYBMUJFWSA-N 403.391 1.876 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O)C(=O)OC 1558383970 RPPAOAKCTJJAKX-MRXNPFEDSA-N 411.480 1.644 30 10 HDEE COC(=O)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1558722797 COZYEWMUUUDFFG-ZDUSSCGKSA-N 424.335 1.260 30 10 HDEE COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)N(C)[C@H](C)CC#N)c1 1561583372 HQCRBCHUKYJZPO-ABAIWWIYSA-N 420.329 1.902 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)CC1 1565237144 ZZMDRMYOULOBGO-LJQANCHMSA-N 414.506 1.684 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1565814668 DBGNHRWZSHUAQZ-GHTZIAJQSA-N 401.507 1.884 30 10 HDEE C#CCN1CCC(C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)CC1 1584895672 AYYAZYNJPIHSAY-UHFFFAOYSA-N 417.531 1.979 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C1CCOCC1 1585149049 RDLONEGQRPZEDE-LJQANCHMSA-N 402.472 1.916 30 10 HDEE CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)co1 1585296615 LUJNUUFGTGORLF-CYPVEDBJSA-N 401.419 1.891 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1587827748 XGRANUMFJKAJRL-UHFFFAOYSA-N 412.494 1.834 30 10 HDEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1587834991 JYPANXXKPMBCIA-GOSISDBHSA-N 404.474 1.858 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1588055038 RSTJKNSFQPCBSO-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588059275 LCIIAXVMOPUGPD-LJCCNALRSA-N 406.552 1.408 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1588059790 VHPQRXXJVDCVLJ-JXFKEZNVSA-N 424.567 1.299 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588638017 MNJABOUZMNJXKH-FIKGOQFSSA-N 417.510 1.043 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1588890846 GNODUYUTIINWGW-HNNXBMFYSA-N 412.460 1.437 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1)C1CC1 1595054967 VTQQWEZYDAJLAV-INIZCTEOSA-N 416.551 1.844 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCSC1 1595466660 KZSPXUGIHJEWOH-ZDUSSCGKSA-N 401.496 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1595778318 XSVSQXVOTAAYIA-WMZOPIPTSA-N 418.519 1.922 30 10 HDEE C[C@H](CC(=O)NC[C@H]1CCC2(CCOCC2)O1)/N=C1/NS(=O)(=O)c2ccccc21 1598409196 FDIQQVKHVHTYPO-HUUCEWRRSA-N 421.519 1.348 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C3CCC2(C(N)=O)CC3)C1 1598416322 IXWPLDNVSFSTIJ-UHFFFAOYSA-N 403.280 1.766 30 10 HDEE Cc1c(C#N)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1C 1611161917 QEQQXNPUMBXIKE-UHFFFAOYSA-N 401.492 1.956 30 10 HDEE COCCOCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1620081499 FNKXLASCNKYMME-RTBURBONSA-N 411.478 1.424 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(C)(C)C(=O)OC)cc1 1621679087 NFYLXPUHOYHREP-HNNXBMFYSA-N 415.533 1.501 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1623127936 VYSXJVKRNVAMPN-IBGZPJMESA-N 413.474 1.968 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OCC 1624303461 IREXWKRQSVHYRD-MRXNPFEDSA-N 411.524 1.827 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 1624508554 VVFQXXYYDDSFKY-HNNXBMFYSA-N 402.513 1.003 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1624726506 PMCZSQSQMFCVON-CQSZACIVSA-N 401.360 1.143 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1 1625764306 IPIIYSGQPWTUEU-FQEVSTJZSA-N 419.485 1.076 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1625976235 FQIKBZHPVVIJSJ-SJORKVTESA-N 422.480 1.972 30 10 HDEE O=C(CSc1nccn1Cc1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 1628386087 NIKVKDQGOOBPFX-HNENSFHCSA-N 411.487 1.666 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1629566852 LABQHZATVOLCJU-QAPCUYQASA-N 408.476 1.140 30 10 HDEE C=CC1(CC(=O)NCC(=O)N(C)OCC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1629828559 ZZCKCOHCLJOICR-UHFFFAOYSA-N 409.405 1.868 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](OC)c1ccccc1Cl)c1cc[nH]n1 1629864904 NCFKMRHXDOKCAZ-HNNXBMFYSA-N 408.842 1.851 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CCOCC1 1633762756 GONOLNKQRPYVMQ-HBMCJLEFSA-N 410.518 1.313 30 10 HDEE N#C[C@]1(C(=O)N[C@H](CO)c2ccccc2I)CCCOC1 1637106560 SDNUHCVWQJHUTC-UKRRQHHQSA-N 400.216 1.761 30 10 HDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1637449888 SNALCNSIOLKJFT-PXNSSMCTSA-N 416.522 1.582 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCNC(=O)CC1 1639495924 MYQOIXQAGXGZCU-HIFRSBDPSA-N 406.508 1.069 30 10 HDEE N#Cc1cnc(N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c([N+](=O)[O-])c1 1642229863 SJGRUPLMHWIUEH-CQSZACIVSA-N 405.411 1.948 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1646393568 VVWGATVAOKGOPS-UWCCDQBKSA-N 412.515 1.969 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc43)c2)C1 1648355602 PPOSSHXIWIPYLN-UHFFFAOYSA-N 416.886 1.912 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2c(C)cc(C#N)cc2C)c1 1648544792 DLWZDWIQWOEFMN-AWEZNQCLSA-N 414.487 1.840 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1650953141 OOODKXGQAGKUKY-UHFFFAOYSA-N 418.441 1.766 30 10 HDEE COC(=O)CNC(=O)[C@@H](C)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766626 GBVRGKCEIGKPGY-PRJMDXOYSA-N 412.277 1.767 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1660584644 CMPFMEDWFOFHHS-HNNXBMFYSA-N 403.439 1.016 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cc1 1662369040 XTVGWDACXNFIJV-UHFFFAOYSA-N 404.922 1.640 30 10 HDEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCN(CCC#N)CC2)c1 1668088120 BHOKGVNQWCNPSB-MRXNPFEDSA-N 407.540 1.968 30 10 HDEE Cc1nc([C@@H]2COCCN2S(=O)(=O)c2ccc(Br)c(C#N)c2)no1 1668544395 FKNPDKMTJHNYIJ-ZDUSSCGKSA-N 413.253 1.774 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccnn1Cc1ccc(OC)c(OC)c1OC 1670526315 JNUVBMZBCKQPJX-HNNXBMFYSA-N 402.451 1.853 30 10 HDEE C#C[C@@](C)(CC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1672504945 AEXLNAXMHHIUDZ-PBHICJAKSA-N 413.521 1.075 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCOCC1 1673485017 HVETZJXJDVVBFX-LJQANCHMSA-N 402.495 1.114 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1673611174 KHRCUWMBANAQDX-VSGPLIKPSA-N 417.535 1.719 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 1680829368 GCFHEBCECPGGQO-RDPOXOKHSA-N 416.547 1.477 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)C2)c(=O)nc1O 1681563364 UCCRYYMXGYXGSH-AWEZNQCLSA-N 407.352 1.733 30 10 HDEE C#C[C@H](NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 1684187838 DIGPZADVWRRNLA-WMZOPIPTSA-N 401.463 1.039 30 10 HDEE CC(C)n1cc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(O)nc1=O 1685759580 RDBCKJNOLRRNQP-UHFFFAOYSA-N 412.494 1.675 30 10 HDEE Cn1cnc(CCCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 1686888463 GYOWYEFGQSIFMT-UHFFFAOYSA-N 407.482 1.319 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689907899 PFUCZZYUBFKKTA-FQEVSTJZSA-N 421.567 1.625 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1689947239 CLIMGKRSZCUPAH-NRFANRHFSA-N 405.543 1.499 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1690077708 VCIBJEKRHNUWPV-MGPUTAFESA-N 420.510 1.687 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1690106077 JLKDLSCPWDDCDD-QGZVFWFLSA-N 417.510 1.030 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCCCS(C)(=O)=O)CC1 1690122550 VDTUWNRGGDUSKZ-UHFFFAOYSA-N 407.584 1.906 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690172699 LXGJMALYLVLXRU-GOSISDBHSA-N 416.595 1.655 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1690642337 JNVMFBNHFMHZRZ-QGZVFWFLSA-N 424.505 1.776 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F 1690671275 SQXMGHZUKICUSI-HNNXBMFYSA-N 421.498 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OC)C1 1690718070 ZUYQOSKFIJQTAD-MRXNPFEDSA-N 421.479 1.679 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1695502959 BVVYKGZEENBSGO-SFHVURJKSA-N 423.521 1.459 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C#N)C1 1695664296 KRQLCJIDFPJIMU-GOSISDBHSA-N 413.526 1.736 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1696030605 GVDPRAYJMMIIHN-DJPFJPOOSA-N 418.542 1.927 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486833 SKSMFVJROJTSTC-VNUXWQDWSA-N 415.429 1.098 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1705517457 WALSZYBRCHGJOI-KRWDZBQOSA-N 407.540 1.571 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC(C)C)CC1 1705541409 IJGZTROKYFSVIN-QGZVFWFLSA-N 424.615 1.716 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705561444 QHGVKLCDFCTOMO-ZIFCJYIRSA-N 421.611 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC[C@@H]1OC 1705584680 UBHGEWUAGWIKFE-ICSRJNTNSA-N 418.501 1.641 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C 1705590851 YBNFSASVKGXZHE-SIKLNZKXSA-N 415.538 1.114 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705660862 JMORMIOKBXCAGA-QGZVFWFLSA-N 422.551 1.998 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@](C)(O)CCOC 1705666923 GEIMLIXKLZEDBG-RTWAWAEBSA-N 405.543 1.976 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1705736733 BALBONGRNXIFPD-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1705890908 OVPIPEPRUCIDOP-ZIAGYGMSSA-N 408.503 1.473 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705948180 JWTZLOXUWAQFLR-SJORKVTESA-N 415.567 1.774 30 10 HDEE CC(C)OCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1706706050 HJKOKQPUPQCFFA-UHFFFAOYSA-N 406.450 1.695 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@H]1C 1722334549 YTLRGEDFQYLNOV-QGZVFWFLSA-N 422.537 1.532 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368447 RSJORSICCBYPKE-SFHVURJKSA-N 409.600 1.976 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1722369547 ARRKXAMTDRIIDS-ZIAGYGMSSA-N 418.466 1.038 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(O)CCOCC1 1722379665 WPAFIOUCOSXCIW-UHFFFAOYSA-N 416.485 1.745 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C)CCOCC2)CC1 1722428993 FCLDOAMYUJWFFL-UHFFFAOYSA-N 400.527 1.086 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2nnc(CC)s2)CC1 1722449609 MSUDPYWFDOJSMJ-UHFFFAOYSA-N 413.551 1.659 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1722630316 YEVZYRIZPYJRIV-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722673823 FSILUEWQZCJBFL-OXJNMPFZSA-N 407.515 1.393 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1724018300 QSGAMQUUGXZYMF-IAGOWNOFSA-N 421.505 1.433 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1729717292 BIYARLBRUHPRIU-QGZVFWFLSA-N 418.505 1.755 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1740531900 AGPJLNLMDWIWOP-HUUCEWRRSA-N 405.524 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740564020 ZAEXBSCVCDRWSI-XLAORIBOSA-N 415.517 1.934 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(S(C)(=O)=O)cc1 1740607014 AUUIEMYHBWXMSW-UHFFFAOYSA-N 414.491 1.231 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1740615855 MPJCBVAFMIUANG-INIZCTEOSA-N 421.567 1.261 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740622897 KMHXEMQBOSWZCF-INIZCTEOSA-N 421.567 1.477 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740873941 JRSCKBFCBBYNNK-XOBRGWDASA-N 415.498 1.010 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OCC)CCOC1 1740966082 VWMURPGSYYOHNW-HXUWFJFHSA-N 402.499 1.362 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1741132883 KWLTXYTTWUJEJP-CQSZACIVSA-N 410.457 1.815 30 10 HDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1741253183 AJFPTVUCAQAILQ-KRWDZBQOSA-N 417.535 1.991 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1748670858 CYWSGAZAOYXODS-MRXNPFEDSA-N 424.553 1.682 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1748814336 DFWFZEMEQFLSID-VSZNYVQBSA-N 422.551 1.571 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748814901 LEVLYRSWUVRCSN-AEFFLSMTSA-N 405.568 1.514 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1748927589 ULCQGZRPHPWGRE-VQTJNVASSA-N 422.533 1.590 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCc1nnc2n1CCCCC2 1748970650 MRNRBNOOOZXKCS-QGZVFWFLSA-N 413.526 1.776 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCCCC2)CC1 1748971439 PONAOOKJYBXRJK-UHFFFAOYSA-N 401.559 1.048 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@](C)(O)CCOC)CC1 1748993272 SUWUUUUHHNUJOT-QHCPKHFHSA-N 411.550 1.720 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCC(=O)NC 1749128678 YABMSGQRYRFXIK-VKJFTORMSA-N 404.515 1.173 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749232870 WBZVKAIHCRYQHF-NRFANRHFSA-N 412.494 1.888 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749235581 UXHRRNXGMGCXCU-DLBZAZTESA-N 407.515 1.233 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)CC1 1749286115 FSUPUIUPTPZRQA-RXBISOJRSA-N 415.585 1.346 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1749498911 NASHOZSRHAARRS-NDEPHWFRSA-N 401.536 1.950 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(CC)CC)C1 1749669023 BROIZQDGQHKHRS-QZTJIDSGSA-N 404.559 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1749725072 NYMIYPIQKXUYNK-HNNXBMFYSA-N 423.505 1.898 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1749741205 SSRFOTPEUJEJLB-IAGOWNOFSA-N 420.539 1.805 30 10 HDEE N#Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCC(OCC(N)=O)CC2)o1 1750382496 HIMHTXIHPRBCKN-UHFFFAOYSA-N 407.434 1.324 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CCO1 1750386129 HQGBCFWJSLGOMX-DOMZBBRYSA-N 423.445 1.235 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCOC2)nnc1N1CCCCCC1 1750417674 HLYIRWMKKYDMIK-KIJUOZEOSA-N 400.483 1.689 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1750974152 GEVNSYGAGQKUEX-JLTOFOAXSA-N 414.466 1.313 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCc3ccccc32)CC1 1760251423 AEPKISBNJQWZDH-QHCPKHFHSA-N 422.533 1.006 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCCCC2=O)CC1 1760259475 CDZONCZNGNXZGK-UHFFFAOYSA-N 421.549 1.806 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O 1760326969 ALEUYWGSVRHGCF-ZACQAIPSSA-N 412.556 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C2CCC1(C)CC2 1760547241 HEPLJPPCMNCODA-UHFFFAOYSA-N 407.540 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CCOC)C1 1760556029 STKDFDAPXCTEJJ-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)C2CC2)CCOC1 1761273372 BAFZFJJJWBLPRY-FOIQADDNSA-N 404.515 1.583 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCCO)CCOC1 1761287575 RPOCPDRJPPEWTJ-FQEVSTJZSA-N 407.515 1.458 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)cs1 1762263047 JJAJVYKKCIDRQC-GFCCVEGCSA-N 411.557 1.121 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766173863 DGXKVWXZCSANDI-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE CCOCc1nnc(N2CCC[C@H](C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766347618 GWZYWCLYQFHONR-MJWGMMHASA-N 402.499 1.967 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)c1 1768357943 AOMFCTUJWLORQH-BTYIYWSLSA-N 414.510 1.767 30 10 HDEE COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1769565084 VWHFDTQBWATFBO-YJBOKZPZSA-N 406.512 1.150 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)[C@H]1CCN(C)C1=O 1848593327 MTHJLOBHVQGPTK-SFHVURJKSA-N 423.510 1.472 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)CN1CCc2ccccc2[C@H]1c1cccs1 1850010822 RRFAIIVNWOESHF-FQEVSTJZSA-N 402.541 1.860 30 10 HDEE Cc1nccn1-c1cc(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)ncn1 1851936700 BFAZJDKEWZXQPJ-UHFFFAOYSA-N 408.853 1.853 30 10 HDEE C=CCC[C@H](C)C(=O)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc21 1852149188 PAFDIIMJKBGNQY-HNNXBMFYSA-N 419.503 1.890 30 10 HDEE C=CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(C(F)(F)F)cn1)[C@@H]1CCN(C)C1=O 1852208074 ALAJZHGGRMJWCH-WCQYABFASA-N 419.425 1.508 30 10 HDEE CN1CCC(C)(C(=NOCC2CC2)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1853582658 GQZLUHOBRDINNQ-UHFFFAOYSA-N 420.535 1.932 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853823728 XIAYBDZYLSEJRF-QZTJIDSGSA-N 414.506 1.464 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cn(CC)nc2C)C1=O)[C@@H]1CCN(C)C1=O 1854191348 VYZVOARKADZEKD-ZWKOTPCHSA-N 401.511 1.451 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854555316 QYDVXLDLVBBEJZ-WBVHZDCISA-N 411.458 1.570 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635750 LPSNOFCTHZEJES-ZBFHGGJFSA-N 405.476 1.265 30 10 HDEE Cc1nc(C)c(CC(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)s1 1855008934 ZMMCSBDBDAUDPI-PBHICJAKSA-N 403.552 1.740 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 1855019144 JMLWPQQWJUWHRE-QGZVFWFLSA-N 408.424 1.907 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855190748 UDRKLVCUAMOWQK-HNNXBMFYSA-N 405.458 1.647 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855597025 UUYJRSVEYTWXAQ-IAGOWNOFSA-N 409.490 1.770 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)c2nccnc2N2CCOCC2)C1=O 1855824679 UATPHKRYWZTEPS-MSOLQXFVSA-N 413.522 1.875 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@@H](C)CCC#N)CC2=O)cc1 1856408818 UTKDNLVTIIRZNI-KRWDZBQOSA-N 405.520 1.912 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CCCN(C4COC4)CC3)CC2=O)cc1 1856780086 SDCGSGOGORADNI-HXUWFJFHSA-N 410.518 1.272 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C(=O)C2)C1 1856867379 XNBBJVLSNIYDAB-SFHVURJKSA-N 419.547 1.090 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(F)c(F)c3)C2)CC1 1857056504 NCQSISXZWMOFCA-AWEZNQCLSA-N 411.430 1.519 30 10 HDEE C=CCOc1ccccc1OCC(=O)N[C@@H]1CCCCN1[C@@H]1C(=O)CSC1=O 1865934361 CMMGUBWYDRUVKS-PKOBYXMFSA-N 404.488 1.770 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc(F)cc2)cc1 1870143446 MIFNHTUCLYFJED-UHFFFAOYSA-N 400.395 1.902 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(C)c2)c(=O)cc1CN(CCO)CCO 1870729444 IQBSWPLQYUHPHR-UHFFFAOYSA-N 415.490 1.147 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 1902632475 LTUGYQXOIZJZBW-FHWLQOOXSA-N 414.506 1.905 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)c(N)c1 2044245887 OKWWJMCFBCTISR-MRXNPFEDSA-N 400.460 1.830 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](C#N)CC1 2046027787 ZRPJKJCXBGTRDQ-IFXJQAMLSA-N 407.467 1.966 30 10 HDEE CC1(C)OCCO[C@H]1CNC(=NC[C@H]1CCCO1)N1CCN(c2ccccn2)CC1 2087917244 HFVWIZUNGWGYTG-MOPGFXCFSA-N 417.554 1.522 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCCC[C@@H]2C(=O)O)CN(C(=O)OC(C)(C)C)C1 2162444225 JAPQOSVNEKHVLS-CYBMUJFWSA-N 403.501 1.326 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174783621 FAQMWGWVQGMURZ-RHSMWYFYSA-N 402.517 1.082 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC(S(=O)(=O)C(F)F)C2)OC1(C)C 2206679958 HMKRXXDDSGTBHU-UHFFFAOYSA-N 408.663 1.860 30 10 HDEE COC1CN(S(=O)(=O)NCc2sc(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2237727132 GJBZDDPSKRMRJM-UHFFFAOYSA-N 402.347 1.021 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243403598 ZWDUQYXBHPKYNL-CHWSQXEVSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243755933 PSWQWUJGWVVTFR-CYBMUJFWSA-N 411.283 1.817 30 10 HDEE CO[C@@H]1C[C@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281966143 NNNDTCMYKYIMSI-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@@H]3COC[C@@H]3O)sc2Cl)OC1(C)C 2281968759 FWTXKPCWXLVWDH-PWSUYJOCSA-N 401.721 1.828 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4CN[C@H]3C4)cc2Cl)OC1(C)C 2282313636 NVHXNZIPPMZSQT-ZMLRMANQSA-N 418.777 1.729 30 10 HDEE CN1CCCC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329370 LOLHFNTZQNXGSK-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](N)[C@H](C(F)F)C3)c2)OC1(C)C 2282331396 MVDPKCIZSYPGMS-GHMZBOCLSA-N 408.301 1.260 30 10 HDEE CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331536 OVJLFRHIKKKZHR-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CC1(C)CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282335050 KCDNNUFWKLVQSM-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@@H](N)C2)OC1(C)C 2282500555 LMRHXXKKPQICNP-CQSZACIVSA-N 400.375 1.690 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505450 DNSZEEGHCFKWHI-RUZDIDTESA-N 422.403 1.020 30 10 HDEE CCN(C(C)(C)CO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282511388 LYRXCHYVCKJSPM-UHFFFAOYSA-N 403.375 1.970 30 10 HDEE CN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)[C@@H]1CCS(=O)(=O)C1 2282641498 BAKBJHYZIFHTPG-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE CCCC1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CNC1 2282841805 YIVJHFQPPZDUGZ-UHFFFAOYSA-N 400.375 1.609 30 10 HDEE CC(C)[C@H](C)[C@H](N)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854738 VKTAHQDRYXBNOP-GXTWGEPZSA-N 402.391 1.945 30 10 HDEE C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883118 WDQDRBAPNXZITI-JSGCOSHPSA-N 401.359 1.971 30 10 HDEE CO[C@@H]1CC[C@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883133 WHAAKYOJEATPTI-ZIAGYGMSSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H](C(=O)O)C2)OC1(C)C 2284400827 YRQIJMHESZVVLW-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccn2)CC1=O 2327841621 VONZLXAXHUQBIA-GFCCVEGCSA-N 401.496 1.247 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](O)(C(=O)C1=CCS(=O)(=O)CC1)CS2 2339803854 XGTOTRQKYGTHIJ-QGZVFWFLSA-N 403.522 1.158 30 10 HDEE CC(C)(C#C[C@@H](N)[C@@H](O)c1cccc(I)c1)S(C)(=O)=O 2365210991 MBZGYXFDQJGKPA-OLZOCXBDSA-N 407.273 1.479 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2367608406 YHYLNZZCKPBTHU-JONQDZQNSA-N 402.557 1.585 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(CNC(=O)OC(C)(C)C)COC1 2367801424 RTAWCNSUKYXSGF-OAHLLOKOSA-N 400.541 1.477 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2367802084 XZLHNJYYDUAALM-MAUKXSAKSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367814573 JPMOJTQDVZTQRR-YZVOILCLSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#C[C@@H](OC)C1CCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369626418 QNESHUVEZRCGRH-GVDBMIGSSA-N 402.557 1.721 30 10 HDEE COCc1nnc(CSc2nnc(N/N=C/c3ccc(C(=O)OC)cc3)n2N)o1 20914255 PFGXQNAYBIMEFZ-CNHKJKLMSA-N 418.439 1.046 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)NCc2ccc(OC)cc2OC)c2ccccc21 33268755 USXLZQNGWQEGMF-UHFFFAOYSA-N 409.442 1.683 30 10 HDEE COc1nc(N/C(O)=N/S(=O)(=O)c2c(Cl)ccc3cccnc23)nc(OC)n1 34595031 RKHQQBDCBSITDT-UHFFFAOYSA-N 424.826 1.805 30 10 HDEE COc1ccc(C(=O)/C(=C(/S)NCC(=O)N(C)C)[n+]2cc(O)ccc2C)cc1 139909532 HMSTXWKFKICQSV-UHFFFAOYSA-O 402.496 1.613 30 10 HDEE COc1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c([N+](=O)[O-])cc1OC 238836140 GTCSFBNULZWUOG-LBPRGKRZSA-N 413.390 1.957 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 434842065 NTSGNUKEDHVWIX-QAPCUYQASA-N 415.563 1.790 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460388700 QWFOWTMVMVBRCN-HUUCEWRRSA-N 421.505 1.858 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3)CC2)c1C#N 460521673 KLONOQILQXANFB-OAHLLOKOSA-N 414.539 1.557 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 462210403 OFQPMBMHSVHABK-UHFFFAOYSA-N 414.487 1.976 30 10 HDEE COc1cccc(C[C@H](C(=O)NCc2ccc(C#N)c(OC)c2)n2nnnc2C)c1 464706681 IWABXBUWBQLUKE-LJQANCHMSA-N 406.446 1.971 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472017713 PWPDHBLKFKOKHC-PXNSSMCTSA-N 407.518 1.832 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cnn(Cc4ccccc4)c3)CC2)c1C#N 472091767 BNTKURPMYFFULX-UHFFFAOYSA-N 418.505 1.877 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)c1ccccc1 481274073 BVWSDKDOIJRRQM-HNNXBMFYSA-N 414.487 1.161 30 10 HDEE Cc1noc(C2CCC(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 482832143 ZXWRVWOTFBMPHK-UWTIGNOOSA-N 417.491 1.759 30 10 HDEE CC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@]2(CCOC2)O1 483158666 VFUXRTPXLFGERA-OPYAIIAOSA-N 418.563 1.727 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2CCSCC2)CC1 503706908 GNJMQUBOXOPTFV-UHFFFAOYSA-N 408.549 1.717 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 507500976 BHPOOLMVMOEPNK-UHFFFAOYSA-N 419.528 1.703 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@H](CC)C1 508476815 HMJIPXSOKVWDJK-CHWSQXEVSA-N 406.503 1.240 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1 509785591 AMXLNGACCNCEAY-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2cccs2)N2CCCC2)CC1 524494860 QRRKQTSLKBLMPP-QGZVFWFLSA-N 405.568 1.514 30 10 HDEE C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCCCC1=O 527258519 ATSQZVQAVDJNKM-RHSMWYFYSA-N 411.462 1.280 30 10 HDEE N#Cc1cc2c(nc1NC(=O)C1CCN(c3ccc4nnnn4n3)CC1)CCCC2 538274133 LQOYXNHPRSSKMX-UHFFFAOYSA-N 403.450 1.520 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 541195878 QSIMRZXQHPTJTN-GOSISDBHSA-N 421.505 1.315 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCN(c3cccc(C#N)n3)CC2)no1 544834621 JZSMDRITLZEVTO-CQSZACIVSA-N 414.491 1.659 30 10 HDEE COCc1ccccc1CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 553429769 RIPDIRQGSUFOQP-HNNXBMFYSA-N 401.492 1.535 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 564384798 YUIGHFRWCHQNEO-WBVHZDCISA-N 410.526 1.728 30 10 HDEE CON[N+](=O)CC(=O)N1[C@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 585088994 XMYIJVAKLXOLMY-BEFAXECRSA-N 419.483 1.452 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1[C@H]1OCC[C@@H]1C(=O)NCCn1cnc(C#N)n1 588020593 HYNJJRFGLUITJF-PXNSSMCTSA-N 405.462 1.846 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCc4ccccc4C3)cc2C1=O 588062966 VXIIVJKOMREYPD-UHFFFAOYSA-N 403.438 1.783 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CN3CCC[C@@H](C)C3)cs2)CC1 588768263 UTPFTQGATWRCOI-MRXNPFEDSA-N 420.583 1.827 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCOC)CC(=O)OC(C)(C)C)cc2C1=O 609181361 ZHOGGHCAZWWNRF-UHFFFAOYSA-N 402.447 1.899 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)Cn2cnc3c(cnn3C)c2=O)c1C 610054186 ZORYVWIOOANKBC-UHFFFAOYSA-N 402.418 1.443 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 619834728 JDFPIVFSVQCJIR-UHFFFAOYSA-N 420.495 1.947 30 10 HDEE Cc1nc(CN2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 678891937 RENLVSKQRABUBB-UHFFFAOYSA-N 420.439 1.417 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3ccccc3)c2=O)c1 726579219 BDNPDNNLTUABKQ-UHFFFAOYSA-N 411.486 1.686 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CSCN2C(C)=O)n1 726798416 VAFDVZYWLQKZEX-NSHDSACASA-N 410.550 1.660 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CCCC2)cn1 730143441 BOQOTUAFFZLAGB-MRXNPFEDSA-N 406.556 1.845 30 10 HDEE N#C[C@H](C(=O)CN1CCCC[C@H]1CN1CCOCC1)c1nc(O)c2ccccc2n1 732210676 CQNPVJVWXDDSCC-FUHWJXTLSA-N 409.490 1.698 30 10 HDEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cc(C(=O)NC)n(C)c2)ccc1OC 733319593 QEULCLIYHJDKLW-CQSZACIVSA-N 420.491 1.553 30 10 HDEE C#CCN(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1 746153428 YQRJPILWDXPTKJ-OAHLLOKOSA-N 407.879 1.972 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCC1CCN(CC(F)(F)F)CC1 748746995 ADTQXVUSNBHPJY-WUKNDPDISA-N 402.417 1.684 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 756033249 XEIOHYQGAHXNNA-JIQGDJCJSA-N 421.523 1.048 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCC(=O)N2CCOc3ccccc32)CCCC1 779314036 VRWDYNFHGRTNEO-UHFFFAOYSA-N 405.476 1.722 30 10 HDEE CN1C(=C2C(=N)N(Cc3ncccc3S(C)(=O)=O)CC2=O)N(C)c2ccccc21 779751555 JNRFXSQSZDKBSZ-UHFFFAOYSA-N 411.487 1.645 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1 780175598 JHCALMCZUPSRAK-LJQANCHMSA-N 424.475 1.833 30 10 HDEE Cc1cc(C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nn1-c1cccc(C#N)c1 780195021 OQBNVUUJMCFNMO-AWEZNQCLSA-N 409.446 1.335 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(CC)Cc3cn(C)nn3)nc12 781580423 YYKHZJVHKWERMA-UHFFFAOYSA-N 410.507 1.974 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC2=O)cc1 781591988 JNPNEJVIZZAODR-CYBMUJFWSA-N 401.419 1.864 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 782757150 FRCUXIIREFLWLU-UHFFFAOYSA-N 418.450 1.860 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)n1 790105266 VWVQEBXJGDZTPB-WOJBJXKFSA-N 400.523 1.920 30 10 HDEE C#CCN(C(=O)NCCCCn1cc(Br)cn1)[C@H]1CCS(=O)(=O)C1 792222982 WRWMTAAIHUTWTI-AWEZNQCLSA-N 417.329 1.258 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C=NNc1ccc(S(N)(=O)=O)cn1 792962737 OKNGPQOSUOGLBD-SNVBAGLBSA-N 405.427 1.771 30 10 HDEE O=S(=O)(c1ccc(NN=Cc2cnnn2Cc2ccccc2)nc1)N1CCCC1 792975024 XYBZCKAHBRWCTO-UHFFFAOYSA-N 411.491 1.952 30 10 HDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 798740833 CTHHMBREESIBCG-BVONABRMSA-N 414.466 1.437 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 809926748 RIEQKQFQXKONBB-HZPDHXFCSA-N 423.514 1.624 30 10 HDEE C#CCN(C(=O)N[C@H]1c2ccccc2CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 812561136 DSRSKAFFISTWLY-HKUYNNGSSA-N 402.516 1.913 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916475970 GVPVZQUYKZYEQK-HNNXBMFYSA-N 424.482 1.619 30 10 HDEE CCOCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916869638 YGTXWZBMNNRLBU-PKOBYXMFSA-N 417.481 1.858 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@H]21 919010183 VNCXZDNQJQBJKC-MSOLQXFVSA-N 401.463 1.922 30 10 HDEE CCCNC(=O)CN1C(=O)C(=NNS(=O)(=O)Cc2ccccc2)c2ccccc21 1084381682 RYMHSWNHBYFKCN-UHFFFAOYSA-N 414.487 1.383 30 10 HDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cn1 1084524381 KHRJKWBROIVPAP-UHFFFAOYSA-N 414.495 1.884 30 10 HDEE COc1ccc(CN(C(=O)c2cnn(CCC#N)c2C)[C@@H]2CCS(=O)(=O)C2)cc1 1124965467 PNOHSGJUWIUWJG-QGZVFWFLSA-N 416.503 1.943 30 10 HDEE CC(C)(CNC(=O)COc1cccc(Br)c1C#N)CS(C)(=O)=O 1133592558 OVTUZRWAKBMXHT-UHFFFAOYSA-N 403.298 1.887 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CCO1 1134490131 LIRRZNXENLQEKX-AWEZNQCLSA-N 405.245 1.746 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1C(=O)OC 1134900086 CILXUMGJHAYGPA-HOTGVXAUSA-N 417.437 1.334 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1136764427 ZXAFXTKNKMRSAC-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1 1136810189 SVIOSMBCLRXNIF-JOCHJYFZSA-N 418.490 1.967 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1138382357 BQIIIZQHCFQTJY-KRWDZBQOSA-N 408.543 1.565 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)CC1 1144029147 ZHPMLYBGEIJGMW-MSOLQXFVSA-N 422.570 1.600 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1152067795 FPXYQHYEZGNRKP-MRXNPFEDSA-N 405.296 1.860 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCCS1(=O)=O 1170221494 QXXFQTURGADGII-CYBMUJFWSA-N 409.936 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1286275671 TZRYUDVDSZAATO-JKSUJKDBSA-N 410.478 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1286289123 KNNHZMWZUOAOLH-OAHLLOKOSA-N 414.510 1.575 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 1286349758 NNMHTPOYMHNDIN-KRWDZBQOSA-N 421.523 1.562 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1cccc(F)c1 1286376362 KHPMBTBEMARTNG-CABCVRRESA-N 406.483 1.856 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1286443447 HEFDSTLVBLQLAF-SFHVURJKSA-N 408.506 1.633 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286467930 XMWBDFXGYMBPIX-CVEARBPZSA-N 415.460 1.752 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286495542 YTBNVGFUXQSFEY-FQEVSTJZSA-N 418.567 1.422 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1)C1CC1 1286737226 LIJRVQQXUHYUDB-MRXNPFEDSA-N 422.511 1.111 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NC)c2)C1 1286809869 WBNCECUXGVUPKW-GOSISDBHSA-N 419.489 1.924 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1286815668 YNHBJWKBSVLSIW-KRWDZBQOSA-N 415.519 1.890 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286833692 LJPBMLNIZFRSHM-INIZCTEOSA-N 400.508 1.824 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1289084793 DXUCBNKORPSQMY-INIZCTEOSA-N 423.477 1.734 30 10 HDEE C=C[C@@](C)(O)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1291896035 IRYFEZWUMBNQAW-OAQYLSRUSA-N 416.478 1.276 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C3CCN(C)CC3)C2)c1 1293211170 MMGDNCPLKUYCDK-SFHVURJKSA-N 403.548 1.382 30 10 HDEE CCCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1294634481 UBZIIBPYTZDNSF-GOSISDBHSA-N 415.542 1.365 30 10 HDEE CN1CC[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1299744848 BWIWZSBAAHZDFP-LBPRGKRZSA-N 405.296 1.742 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1300392725 IFQVWDCJXHPNLI-QGZVFWFLSA-N 410.386 1.384 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1300471387 ACBREJTYSAIUIC-GJZGRUSLSA-N 403.508 1.391 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1300996243 BEDOZHYHBKQNIL-UHFFFAOYSA-N 405.543 1.899 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1301216769 RKJXTLTTWMHTER-UHFFFAOYSA-N 416.482 1.443 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301468639 HQXOFKPOHPCFPG-UONOGXRCSA-N 400.508 1.513 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301475766 XSYYNRNPEFEQHQ-YTQUADARSA-N 402.543 1.695 30 10 HDEE CC(C)c1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1302655311 QIVJMHXCODNTCC-HNNXBMFYSA-N 418.523 1.919 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)CCOC1 1303501977 LCLSRFWVBZFMBM-LEWJYISDSA-N 421.542 1.848 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1303639816 GSMMVAWPFBJGOO-WMLDXEAASA-N 415.519 1.997 30 10 HDEE Cn1c(N[C@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1307157402 PNYZWUBBPRVKEL-AWEZNQCLSA-N 411.462 1.734 30 10 HDEE COCCOC[C@@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1307653549 HJHZPVGHOMWBPP-ROUUACIJSA-N 412.328 1.655 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)cc2Br)CC1 1310073810 BZKHEEVDTHPGEI-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1310709821 RZRKIOQYBVCTOD-QAPCUYQASA-N 419.478 1.803 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1 1314852790 OYBJZRWIOCCTAY-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H](C)O1 1315929115 BNRXZVBGQBXEPD-KSSFIOAISA-N 408.466 1.234 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@H](C)O1 1315929120 BOMYPIDNSRSVPH-YOEHRIQHSA-N 408.466 1.234 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C#N)o2)cc1 1316533313 LNTGOGJYXQLRHT-IBGZPJMESA-N 415.413 1.971 30 10 HDEE Cc1ccc(C(=O)N2CCC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1318847586 ABKQNDQBJFEYCN-MRCUWXFGSA-N 410.474 1.632 30 10 HDEE CN(CCCNC(=O)C(=O)NCc1c(F)cc(F)c(F)c1F)CC(F)(F)F 1323346818 CLTUVDSQJNTJGC-UHFFFAOYSA-N 403.298 1.860 30 10 HDEE C=CCOCC(=O)NC1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1346629362 ZDIWWTGBQJYIMZ-FFIKJPPGSA-N 404.507 1.269 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccsc1 1347849103 XHEIGRQVEWBJGA-MTSZKFMLSA-N 403.504 1.317 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1350773776 GXUBGGBHRINBIT-VPMFXMNOSA-N 406.508 1.909 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)CCC)CC1 1358933170 KQGAWTPKJCFCRK-UHFFFAOYSA-N 400.527 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCn1cncn1 1358946330 QQZICMWTCDXCAV-UHFFFAOYSA-N 417.477 1.597 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358958701 UFDUGVUURUNQAL-QGZVFWFLSA-N 400.504 1.990 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1358964012 RMJKATOZERVNQP-HNNXBMFYSA-N 406.483 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1358978220 GOFPRTUCBRLMIY-MSOLQXFVSA-N 403.552 1.127 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N(C)C)CC1 1359038821 MIYAMEJXVPEJOH-KRWDZBQOSA-N 400.502 1.702 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)C(=O)NCC 1359073393 NYOOOTUOKZIESU-OAQYLSRUSA-N 400.527 1.555 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359096432 BMADQCUUOWCAFO-SZMVWBNQSA-N 423.583 1.902 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(Cc2cc(C)no2)CC1 1359297570 UTVHHBGVGUIUMC-UHFFFAOYSA-N 424.509 1.204 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359303979 HIOVJHFLDBNBIQ-KBPBESRZSA-N 414.535 1.664 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1360477935 CHDOMDONIJNMSZ-CQSZACIVSA-N 408.503 1.686 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCS2(=O)=O)C1 1360784179 AARLTOAAQIZXPJ-SPYBWZPUSA-N 420.539 1.327 30 10 HDEE CC(=O)N1CCC[C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1436122904 DLQVZYYNAIUPKP-AEFFLSMTSA-N 411.462 1.138 30 10 HDEE N#Cc1csc(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)n1 1439711720 UEEZUKIKLGFIEY-UHFFFAOYSA-N 407.249 1.819 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1439865316 XDFDUYNVTPATTH-NEPJUHHUSA-N 403.464 1.123 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1447624130 GIENRYNUXANTMA-IRXDYDNUSA-N 416.478 1.710 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1451214026 BBRGJFLWAJYREI-HHNLSAEISA-N 407.536 1.805 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CC[C@H](N(C)c4cccc(C#N)c4)C3)cc2=O)n1 1452490410 SZPVQNJLEZKTQF-SFHVURJKSA-N 417.473 1.795 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1455076228 CVFVSRKIERKLHT-GOSISDBHSA-N 408.462 1.335 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 1462273361 RIAGAOZDIBZWLU-KXBFYZLASA-N 405.451 1.632 30 10 HDEE N#Cc1ccccc1OCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1463457539 YCKSXJRCPNBGLY-XJKSGUPXSA-N 402.394 1.905 30 10 HDEE Cn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc1C(N)=O 1465968658 TYOQKZNUUYCLTJ-BTTAGBNVSA-N 401.467 1.849 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(N)=O)c2ccccc2)s1 1468431044 DTZGRJHCVLONBY-OAHLLOKOSA-N 407.517 1.488 30 10 HDEE C#C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1468451683 RUVAABQGWQFMBB-CQSZACIVSA-N 401.220 1.464 30 10 HDEE O=C(c1ccc(N2CCOCC2)nc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618341 QKJXWSBWQZAGQG-UHFFFAOYSA-N 410.430 1.436 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)[C@H]1c1cccnc1 1472635179 GJDDZHVZXJTZBA-SJORKVTESA-N 403.402 1.275 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@@H]1CCCO1 1475216838 OLYKRHHPPZVCNQ-QYZOEREBSA-N 422.503 1.124 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1507541825 IQNGIEORIXPVGI-OAHLLOKOSA-N 401.492 1.621 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC1(O)CCOCC1 1507646051 PLBPGOGNWVQMHO-UHFFFAOYSA-N 422.485 1.721 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncn(C)n1 1507689779 MSECQYJXCSTKQX-UHFFFAOYSA-N 406.498 1.088 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1507743059 XSKLRPMMKKJPLZ-UHFFFAOYSA-N 422.533 1.590 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1507970963 HKJQOWSXYBCCMF-UHFFFAOYSA-N 404.496 1.372 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1508074535 QUCOXEMDOXVYDK-HOTGVXAUSA-N 413.478 1.632 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1509938222 FDOOYGFZLWXGBD-ZIAGYGMSSA-N 410.482 1.578 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1516129674 HWSOZBWSLBLKPM-HNAYVOBHSA-N 402.503 1.287 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)C[C@H]1O 1517688789 JOTCNEDATMDCCU-KBAYOESNSA-N 411.462 1.213 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1c(Br)cnn1C 1519177926 FWYNNYTZDRGOTI-NSHDSACASA-N 404.272 1.124 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1519327974 RAGWPLMHNDRLOF-WBVHZDCISA-N 403.487 1.097 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1528571181 FSYHBNCZPASDPT-MRXNPFEDSA-N 406.504 1.734 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1530084236 OZPPPXPODHJEPN-LJQANCHMSA-N 404.532 1.902 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1530725077 PAEJINANVBZMLI-LSDHHAIUSA-N 404.463 1.610 30 10 HDEE C=CC[C@]1(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)CCCN1C(=O)OC(C)(C)C 1531664802 UIZCNJHUQIAQMI-PMUMKWKESA-N 402.513 1.260 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OC 1535346849 MSGLGKAPUIYMFG-MRXNPFEDSA-N 412.483 1.850 30 10 HDEE Cn1ccn2c(CCNC(=O)c3ccc(Br)cc3C#N)nnc2c1=O 1537834432 SSYRCULVFNCEOF-UHFFFAOYSA-N 401.224 1.035 30 10 HDEE N#Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c(I)c1 1538009383 FWKSBWTVBMMGNU-JTQLQIEISA-N 404.229 1.926 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1539013112 HZBONYIBIKSUSY-JKSUJKDBSA-N 407.540 1.041 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539125496 NAMACJYSGBDYAD-JKSUJKDBSA-N 423.539 1.309 30 10 HDEE C#CCCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139893 JJTWUANRWCZIJY-OAQYLSRUSA-N 403.527 1.695 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC(C)C)N(C)C 1539232408 BNWSPEPIVBJNFT-GOSISDBHSA-N 407.522 1.975 30 10 HDEE C=C(Cl)Cn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539823422 CKWUDIMFVIVGNI-GOSISDBHSA-N 407.906 1.991 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1540737928 SKVBBQYDCQSFGT-VMPITWQZSA-N 421.450 1.546 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1540857861 SWANVRNYDAXBLG-ZWKOTPCHSA-N 420.558 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)Cc1cnn(C)c1 1540902184 CJDFJGLPWWYHGR-KRWDZBQOSA-N 422.555 1.533 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)C[C@H]1O 1554545733 LOAYDVVTZMMLBC-RTBURBONSA-N 424.505 1.273 30 10 HDEE CO[C@]1(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2ccc(C#N)cc2)CCOC1 1554716040 FQJFCLHQFCPDIW-NRFANRHFSA-N 407.478 1.992 30 10 HDEE COCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1555554690 YNOMXRGTRQQMON-OAHLLOKOSA-N 419.507 1.556 30 10 HDEE C#C[C@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccc(F)cc1 1564995908 KBMMNFPKXAJIPL-IBGZPJMESA-N 410.449 1.574 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](C3CCOCC3)C3(CO)CCC3)CC2=O)cc1 1570798160 VJUBKXBFXDCUIX-NQIIRXRSSA-N 411.502 1.985 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(C)c2N)CC1 1585000228 SLILOSIUAPTKOD-UHFFFAOYSA-N 407.312 1.237 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc(CCCC)cc2)CC1 1588198990 DMLDBTJHEDMZMC-UHFFFAOYSA-N 419.547 1.604 30 10 HDEE COC(=O)c1ncoc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1588290667 IGWPILFUKXKZPE-BTTAGBNVSA-N 418.450 1.864 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@H](COC)OC)CC1 1588857513 OWEMICDCWAOLAV-LJQANCHMSA-N 422.533 1.767 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCO2)CC1 1588954424 HITUQTDWFCWSFW-IBGZPJMESA-N 408.506 1.409 30 10 HDEE C=CCCC[C@H](NC(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1)C(=O)OC 1596243092 CYLXIUVLLFPGAL-AWEZNQCLSA-N 407.471 1.698 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039493 OQKDYXIKKGQGSY-KURKYZTESA-N 421.538 1.895 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCc3cc(C#N)ccc32)CCS(=O)(=O)CC1 1597102470 CVIYOUUHHXFGSE-UHFFFAOYSA-N 404.488 1.984 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1597444455 CSQBTPQPQSVDBU-KMKOMSMNSA-N 421.406 1.411 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@@H]3CN(C)CCN3C)ccc2c1=O 1618099231 PEIKXHBSZLHQLB-GUYCJALGSA-N 401.536 1.235 30 10 HDEE CO[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618938904 GRLPDDNMEXGLCC-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618942616 QLSCTADPZCBONH-WMZOPIPTSA-N 411.510 1.800 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)C2)ccn1 1619362873 UQVNHVFIIZKOJW-LUQKVYGDSA-N 401.511 1.727 30 10 HDEE COCCOC1(Cn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1620035777 DFIICTWHZWSTIP-QGZVFWFLSA-N 405.499 1.172 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC(=O)Nc1cccc(C#N)c1 1620428232 DFMZRQHTZPYTBQ-HXUWFJFHSA-N 404.467 1.085 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1620608800 XWSURVFEMPVVCW-LJQANCHMSA-N 421.563 1.772 30 10 HDEE COCC#CC(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1624519605 KROASWJPSXQCSQ-UHFFFAOYSA-N 424.828 1.842 30 10 HDEE C=CC1(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 1629542850 CMDYUGOMRDRUDU-AWEZNQCLSA-N 406.483 1.295 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(CO)CCOCC3)C2)C1 1631120049 LLAHOXAEBLYBSH-TZQQIIETSA-N 407.511 1.679 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)C1 1631964880 UZUTUKUVTNIGCD-OAQYLSRUSA-N 421.482 1.975 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)s1 1632521333 FOPVJPIYJMOHEC-UHFFFAOYSA-N 417.512 1.916 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCC(=O)N(c2cccc(F)c2)C1 1632880020 CEBLOSJTSDRXNO-UXRKVSLXSA-N 400.410 1.211 30 10 HDEE C[C@@](C#N)(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C1CCCCC1 1633855963 VGMNQQFCOQLWQQ-UTKZUKDTSA-N 402.470 1.707 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1637390407 ULWLYEVKECHIQL-IAGOWNOFSA-N 411.499 1.706 30 10 HDEE CCC[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637930800 CROLTKBLRJUPTP-FMPZLKCCSA-N 404.511 1.900 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 1637953633 RMWYVPSBQHVIAN-OAHLLOKOSA-N 406.280 1.872 30 10 HDEE COC(=O)N1CC(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1639004670 OZRASWFLCISFIE-QGZVFWFLSA-N 414.462 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NCC3(C#N)CCOCC3)=NO2)C1 1640487014 ISRVKBPLTUUILF-FQEVSTJZSA-N 406.483 1.969 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1641858252 MXTOMQBESKHJDM-DLBZAZTESA-N 407.511 1.294 30 10 HDEE C=CCCO[C@H](C)C(=O)N1CCN(c2ncc(I)cn2)CC1 1642263977 PRIRFWDUZOIEHZ-GFCCVEGCSA-N 416.263 1.711 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])C2)CC1 1642670419 CYENPGXUODVODP-HNNXBMFYSA-N 402.455 1.993 30 10 HDEE N#Cc1c(F)cccc1C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1643300323 FHZRDYMHJQIMIG-UHFFFAOYSA-N 401.463 1.858 30 10 HDEE C#Cc1ccc(C(=O)N2CCC[C@@H](n3nncc3I)C2)cn1 1643458817 NYXOIRQLEQNFCF-CYBMUJFWSA-N 407.215 1.736 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CCC23CCC3)CC1 1644341706 UKKHUQYIUFEVFJ-UHFFFAOYSA-N 404.555 1.629 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN3CCOC[C@@]3(CO)C2)CCCN1C(=O)OC(C)(C)C 1645355383 OMTGJONCIWZTHG-SFTDATJTSA-N 409.527 1.238 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)C#Cc2ccc3c(c2)OCO3)cc1 1645816633 NOROLQQVVJLOKM-UHFFFAOYSA-N 420.468 1.822 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccccc1F 1651134579 HOCWKWVPDVQTOD-KRWDZBQOSA-N 405.451 1.558 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2cc(C(=O)OC)ccc2Br)CC1 1653712832 GRTUUTTUISAETN-UHFFFAOYSA-N 408.296 1.103 30 10 HDEE C[Si](C)(C)c1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1674503913 UOYWNKLEQHTHIH-QFBILLFUSA-N 405.596 1.354 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1674888262 SKMMAXULSCYCDV-HXUWFJFHSA-N 412.534 1.721 30 10 HDEE C#C[C@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)c1ccccc1 1683676547 PDKICTPQQABRPM-KRWDZBQOSA-N 405.451 1.868 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3Cl)CC2)CC1 1686011430 NDFQULZVRWBEJG-UHFFFAOYSA-N 410.927 1.166 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689978537 XYCCGOHGUJSACR-KRWDZBQOSA-N 421.567 1.623 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CC 1690031513 NGOMAOKRDZUDQF-GOSISDBHSA-N 405.506 1.873 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)C(C)C)CC1 1690126018 RTWQQTQTZOEZON-UHFFFAOYSA-N 412.513 1.535 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)CC1 1690398579 AEKPSVPVBGQYBM-IBGZPJMESA-N 412.556 1.766 30 10 HDEE C=CCCCCn1c(C(C)C)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1690451937 TUDDCBUIMXDCEZ-UHFFFAOYSA-N 416.530 1.224 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690496947 CQQNAHYUDBZHGR-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1690677200 QPQBXAWBENPKEM-LSDHHAIUSA-N 422.530 1.466 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)C1 1690677307 UEVHBKIYDNYSNI-UHFFFAOYSA-N 400.508 1.117 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1690693554 CQBHHXAOZXYASV-SJORKVTESA-N 419.551 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690713982 AVBXREVNKIBRJF-GASCZTMLSA-N 407.540 1.207 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1691111122 YPVCXBCRDMWRGD-HUUCEWRRSA-N 412.485 1.660 30 10 HDEE CNS(=O)(=O)CCn1c(CC2CC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1697032081 HUSBYBVZDZEHKR-UHFFFAOYSA-N 414.535 1.820 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1COCCO1 1698129856 PAGBSCURWQPNBO-IAGOWNOFSA-N 407.515 1.938 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705508116 PLKLTIZNFZRVDK-ROUUACIJSA-N 401.511 1.702 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705556671 DXMPDDDUDBUYOT-OAHLLOKOSA-N 421.498 1.347 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1705576396 KHMBRMFITSNQDT-UHFFFAOYSA-N 423.502 1.091 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)NCC(F)F 1705577965 ANHFFJMGEIKCIR-UHFFFAOYSA-N 408.412 1.947 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728658 ROGRPOZWNVJYMB-DYESRHJHSA-N 418.542 1.935 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705744859 QXZODSBMYPQUPK-IRXDYDNUSA-N 422.961 1.814 30 10 HDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1705832153 OKAIVXAALBLXNH-OAHLLOKOSA-N 416.507 1.591 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1705878044 IDGLHEXIWLFPNV-UHFFFAOYSA-N 420.521 1.812 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C(C)=O)CC1 1705902760 MTTICQGGYKIGKZ-UHFFFAOYSA-N 420.876 1.708 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706077235 HGHBOBQBUXLTJH-DYVFJYSZSA-N 409.537 1.076 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCc1cnn(C)n1 1706314608 DIHVCMFNHAMJMK-UHFFFAOYSA-N 420.525 1.756 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C2CC2)cs1 1706625065 DPUQLCPTKVUUTM-CYBMUJFWSA-N 401.496 1.527 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)C1 1706936195 MRHVOGGCBFMKSW-CRAIPNDOSA-N 423.539 1.199 30 10 HDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)c1 1707707341 GEUCRUPIEHMIIY-NRFANRHFSA-N 404.478 1.724 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1709279094 RGIFOCKHSSRCKE-ORQRPPJRSA-N 413.482 1.134 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1710980861 UMQOXSCVHUGJQJ-JKSUJKDBSA-N 410.434 1.409 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1710980922 WDVZWDGTVZZURA-GOSISDBHSA-N 401.402 1.774 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCOCC2)C1 1712875727 GSTZMKSBTURBJQ-XLIONFOSSA-N 406.506 1.726 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722316521 JLKJQMFGVGQUCN-ZWKOTPCHSA-N 421.567 1.336 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722322660 VXEDEJRTMGHTKX-IBGZPJMESA-N 413.570 1.144 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1722386642 FVHPEPNLDYVIDB-GOSISDBHSA-N 414.535 1.037 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccsc2)CC1 1722429056 GFXJCYGYMXFOPU-FQEVSTJZSA-N 416.551 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](OC)C2CC2)CC1 1722445436 PZWQYWYAKFQIKU-LJQANCHMSA-N 410.522 1.674 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CC1 1722566097 JLSZHFFFNQAHPG-HAWMADMCSA-N 414.597 1.884 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 1722727414 LEKJBLRQNVBXSG-INIZCTEOSA-N 422.555 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1722750298 MQNJTJKUUDJPDW-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1723646476 AQPXISIWWXUNMQ-RHSMWYFYSA-N 412.450 1.044 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCS(=O)(=O)C1 1727568193 AQWWQPYPFXFHBL-CYBMUJFWSA-N 416.507 1.200 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1740540007 XEXNKYOXZIMBNK-OAHLLOKOSA-N 412.519 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1740656769 MMGBHCJGKPDIMG-MRXNPFEDSA-N 418.469 1.970 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1740689866 DTWZCGFRJBIAIX-HSALFYBXSA-N 419.570 1.963 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2nncn2-c2ccccc2)CC1 1740702953 BSKGEFIYYXSEPN-UHFFFAOYSA-N 404.478 1.181 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOC)C1 1740759938 FYHSOZZEJVKDSQ-DFEOGRTESA-N 419.526 1.452 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1740795991 KFATXRWAKBQASK-IBGZPJMESA-N 415.542 1.253 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740876272 PVPFSCSEKXEPFR-CABCVRRESA-N 416.569 1.160 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1740936748 HRYQNEVKVGLPKG-UHFFFAOYSA-N 422.530 1.678 30 10 HDEE C=CCN(CCOC)c1nnc([C@H](C)CC)n1CC1(O)CCS(=O)(=O)CC1 1740937214 VRCWHBWVLIRFOZ-OAHLLOKOSA-N 400.545 1.370 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740960897 FMMMBHZAVQZZAK-NRFANRHFSA-N 415.469 1.306 30 10 HDEE CC(=O)NCCCn1c(C)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 1741113111 RGWDUQBBGCXDBA-UHFFFAOYSA-N 418.505 1.859 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1741196087 JJCCQFRWEBPHBK-QZTJIDSGSA-N 402.543 1.849 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1746695308 CLFIKTFPTCFDCQ-VQTJNVASSA-N 408.522 1.960 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1747382546 BHWUIESAEHWHOV-RDJZCZTQSA-N 401.467 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1748671713 NAOTXKMNNWNUIL-CHWSQXEVSA-N 422.580 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1748891819 GSTCYZRGWQBTSG-IPMKNSEASA-N 418.563 1.704 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)Cc1ccccc1 1748935066 MMKNNWPMCLRHGP-UHFFFAOYSA-N 408.506 1.519 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(OC)CCC2)CC1 1748971365 MZFRPXSYUUPCMM-UHFFFAOYSA-N 400.527 1.229 30 10 HDEE COCC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1749263163 DRXKNXNVCGJSRB-UHFFFAOYSA-N 410.478 1.795 30 10 HDEE C=CCCOCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1749461154 NYKKUBHXUXDTDK-SFTDATJTSA-N 419.526 1.239 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1749712128 FEPFTOJLEIEWRF-KSZLIROESA-N 423.583 1.826 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749773420 OSECCVQSOPEGBC-QFIPXVFZSA-N 423.521 1.111 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCN(CC)CC1 1760095440 OSLWZOBHEXAUOC-LJQANCHMSA-N 415.586 1.390 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760141473 WCILAJKESGPEBO-GOSISDBHSA-N 411.510 1.306 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1760165429 SAPWJHYOYGTJPQ-OAQYLSRUSA-N 413.526 1.560 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cnn(CCOC)c1 1760205249 VACQXCJLJXBQKH-UHFFFAOYSA-N 409.519 1.598 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)no1 1760205744 ISYQKVKJXZYZFV-UHFFFAOYSA-N 416.489 1.870 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760256524 HQCCSWRJWRYYKC-IPJJNNNSSA-N 417.554 1.237 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)NC)CC1 1760269895 GBNOJKZMQXBHLP-UHFFFAOYSA-N 422.533 1.279 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOC(C)C)CC1 1760270009 RPRNJWXJSVHZBV-SFHVURJKSA-N 403.527 1.563 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCCO[C@H](C)C1 1760287385 QNOHRZVJHOUMNL-XMSQKQJNSA-N 416.570 1.909 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760327493 HTMNZKMOPUJQIS-BQFCYCMXSA-N 412.556 1.809 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760345264 PWPRUHMFIOGPFB-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760357731 MSQVBIOAFPBRRW-UZLBHIALSA-N 405.499 1.796 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1760431276 JOSZVQHHZYAQOO-UHFFFAOYSA-N 421.509 1.952 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1760500958 ZJGZXIGOGSTMGV-OAQYLSRUSA-N 416.526 1.164 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1760504966 HHBSQDRWDOERKW-DLBZAZTESA-N 411.572 1.161 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760521331 PYBWKEBFRZVHSV-UKRRQHHQSA-N 415.523 1.638 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1760934285 ZOCDUQMPXPAATD-VQTJNVASSA-N 415.586 1.815 30 10 HDEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1761311685 QECVXPVISWUMCB-HNNXBMFYSA-N 412.560 1.833 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1768812436 WLSVTXLXQQRMHM-YGCDDZCOSA-N 422.489 1.944 30 10 HDEE COC[C@@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1770721327 CONCASMQPMPSKL-LSDHHAIUSA-N 420.539 1.679 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1771050283 IIJDSVPVUNYQQO-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1771350629 WSFIWERBWBDIEU-QGZVFWFLSA-N 412.475 1.400 30 10 HDEE O=C([C@H](F)CC(F)(F)F)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1848670182 BTASKNAMFPUXLR-MRVPVSSYSA-N 403.320 1.208 30 10 HDEE CN(C(=O)c1cnc(O[C@@H]2CCOC2)c(Cl)c1)C1CN(c2nccnc2C#N)C1 1848835224 IUWAIYDGHSZMMO-CQSZACIVSA-N 414.853 1.525 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1849391549 JAXPWKLFUYIBRI-KRWDZBQOSA-N 405.458 1.664 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cccc(C)c2)CC1 1851074789 GYUXCUQEMSVNNI-LJQANCHMSA-N 423.604 1.563 30 10 HDEE COc1cc(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc(OC)c1 1851835289 KIGRAUGNYMOEQU-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3ccccc3S(=O)(=O)C(F)F)CO2)nc1 1852588510 IIFNLZKPLFKHBH-LBPRGKRZSA-N 409.370 1.927 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1=O 1853804116 BSCLMKSCDROVDI-MOPGFXCFSA-N 407.474 1.480 30 10 HDEE CC[C@@H]1CO[C@H](C)CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1855046844 PLJQKVBFBZDZIR-UKRRQHHQSA-N 405.476 1.594 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C1 1855312277 PASIWKKZCXNUEZ-DLBZAZTESA-N 409.490 1.792 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)CCc3scnc3C)C2=O)CC1=O 1855861136 GNRNPYJVKCZYON-SJORKVTESA-N 418.563 1.868 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2ccc(F)cc2)C2(CCCCC2)C1=O 1856331200 PIHLTIRCURJIHF-UHFFFAOYSA-N 407.467 1.943 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)C1 1856550723 WLMDVVRUQGFMRP-DLBZAZTESA-N 416.522 1.997 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)[C@@H]2C)c(Cl)cc1Cl 1857071746 SFYWQKDYCSRHCK-JTQLQIEISA-N 404.275 1.964 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857082295 MDXOAJDJVWDZRA-SFHVURJKSA-N 424.892 1.873 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3cccn3)C2)CC1 1857236389 FQRJAMPTYULXKF-QGZVFWFLSA-N 406.490 1.795 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1859013753 MJZFGPJXSHWVHT-UHFFFAOYSA-N 411.439 1.579 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861205303 ZCAAMULOGMRMGX-AOIWGVFYSA-N 405.926 1.816 30 10 HDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCN(C)C)ncnc21 1875231054 XXHNNONDTUQDLX-UHFFFAOYSA-N 414.510 1.570 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1900051278 CLMDZGAUSWETNT-AWEZNQCLSA-N 401.504 1.849 30 10 HDEE CC1(C)OB([C@H]2CCCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)OC1(C)C 1965483083 XQEGTVCVPKAUAW-KBPBESRZSA-N 403.375 1.992 30 10 HDEE CC(C)(C)OC(=O)NOCCCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010399307 YJHGULIOOWPPLT-UHFFFAOYSA-N 422.291 1.951 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025894534 ANDHOUNRVWRWGY-UHFFFAOYSA-N 421.303 1.549 30 10 HDEE C#CCC[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 2041205945 DLTOXKXGGXSRRH-HNNXBMFYSA-N 406.460 1.095 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1 2066583445 VYTLBAIDEJIREC-SFHVURJKSA-N 406.442 1.598 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCn1cc(Br)nn1 2072759650 HHPITJGNKCAIGC-NSHDSACASA-N 415.292 1.744 30 10 HDEE C[C@H](C#N)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089783878 BWLPSMKIKHISSA-MRXNPFEDSA-N 418.519 1.312 30 10 HDEE CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C#CCO)cc1Cl 2152235216 FXFRFVWHTQYXLR-UHFFFAOYSA-N 406.891 1.621 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174782083 MJSZZCHWKAQOPA-OAHLLOKOSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1nnc(S(N)(=O)=O)s1 2181110814 PLFDGZXSSHXJGA-SECBINFHSA-N 418.501 1.101 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2243390618 YEDNTSYNLZCPPZ-UHFFFAOYSA-N 415.324 1.831 30 10 HDEE CON(CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2247857153 DZCTYBYXXVFIRO-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247907437 BXWCCROIYFYDSL-UHFFFAOYSA-N 424.303 1.538 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247919466 RKBMGSFGVDIJGH-OCCSQVGLSA-N 418.303 1.419 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247944068 LFPIMZXBAUAHQE-AWEZNQCLSA-N 420.315 1.601 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2248397759 OAMFBUGJANZQHW-AWEZNQCLSA-N 423.319 1.545 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N=c3nc[nH]s3)cc2Cl)OC1(C)C 2255931103 GAFFIMADIOLZFR-UHFFFAOYSA-N 407.735 1.775 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267714731 ZTRVAHHBZNDUFT-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE C#CCCN(C1CCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270534166 DHLPWBDZNHSZTL-SFHVURJKSA-N 422.503 1.662 30 10 HDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272087077 VTPMGLRLUFXJIN-PMACEKPBSA-N 424.494 1.744 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CCCO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282305734 CKOIBFBGTJZQLU-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C)CCCNC1 2282308807 WQPFBJSQXJXJLV-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282322272 JHYXREVSUIKNIJ-LLVKDONJSA-N 402.347 1.288 30 10 HDEE COCC(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)COC 2282338383 QXCGBHIOEWOISN-UHFFFAOYSA-N 405.347 1.235 30 10 HDEE CCOCCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282423554 QHHJYZXKZIAMRT-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2CCNC2)c1B1OC(C)(C)C(C)(C)O1 2282488761 BZSHEVIACQWKFH-ZDUSSCGKSA-N 400.375 1.647 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CCCN3)ccc2Cl)OC1(C)C 2282491567 OAPOAWLXNYIVKM-LBPRGKRZSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CC[C@H](O)C2)OC1(C)C 2282502147 HEPMWADDNVCOAD-OCCSQVGLSA-N 401.359 1.628 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282571664 DHMVSVRWZHBPPY-UKRRQHHQSA-N 405.304 1.333 30 10 HDEE CO[C@]1(C)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282844973 LGBPZTUTUQVGKH-MRXNPFEDSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCCOC2)OC1(C)C 2282867156 UWDQAMKXUIFHBJ-ZDUSSCGKSA-N 401.359 1.893 30 10 HDEE CCOC(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OCC 2282873154 HFGDVBFQIQRASX-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE C[C@H]1C[C@H](CO)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880481 JOGIYQCWEJBYBP-STQMWFEESA-N 401.359 1.580 30 10 HDEE CCN([C@H](C)CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284401541 BLYBLDGLGAZCNT-LLVKDONJSA-N 403.331 1.921 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2286900880 HMAJNWXBRBREAE-JSGCOSHPSA-N 400.375 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2287380262 SVBNFNZAQJSCSL-STQMWFEESA-N 401.529 1.348 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365203405 SRBHWVCAQHSAAO-XMDUPGNXSA-N 400.541 1.603 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2366099852 NAQPRIAYOUMPNT-URVUXULASA-N 412.490 1.289 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 2367786393 HSZMHGSPGQDOPT-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CO[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367797268 UFBRTUNQMBIYCM-KXBFYZLASA-N 401.525 1.734 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F 2367800459 JQMCTOBMQACUHB-BFHYXJOUSA-N 406.495 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367807229 RIHBDTTWHMWBKO-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367810924 CIYHATQZCYUFBW-DOXZYTNZSA-N 400.541 1.340 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1[C@H](N)C#CC(C)(C)S(C)(=O)=O 2381030825 KFQBCOGJFOUWQI-HUUCEWRRSA-N 400.541 1.556 30 10 HDEE Cc1ccc(-n2c(=O)/c(=C\c3ccc([N+](=O)[O-])cc3)s/c2=C(/C#N)C(N)=O)cc1 5516834 YFLSDXBXRZQKBG-GPCTYAPCSA-N 406.423 1.104 30 10 HDEE C=CCNC(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820620 KXUBWVULSOVODB-ZBPACCJBSA-N 421.439 1.656 30 10 HDEE C=C[C@@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H](O)[C@@]12C 96029845 OHCQJHSOBUTRHG-TVUFPNGISA-N 410.507 1.520 30 10 HDEE in-vitro N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1CN1CCC(O)CC1 301768043 OICPQXTWIIHZSV-UHFFFAOYSA-N 400.504 1.774 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3CC(=O)N(C)C3)c2)c1 462934058 YWIGQIYDSJNITE-UHFFFAOYSA-N 405.410 1.070 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCCN2CCN(c3ccncc3)CC2)cc1 465817828 TYCOMJCNBXJGLD-UHFFFAOYSA-N 408.506 1.844 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(C)[C@H]2c2cccs2)CC1 466071357 AKXNBVLKEGSPLV-YLJYHZDGSA-N 419.595 1.760 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)cnc21 487420181 WDNXXZJEFPUQAG-UHFFFAOYSA-N 405.443 1.688 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 504036091 LZFGJVBFEACIQE-KRWDZBQOSA-N 423.535 1.348 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCn2cc(Br)cn2)CC1 513596835 DYKMXZQTXPAHLD-UHFFFAOYSA-N 418.299 1.834 30 10 HDEE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 522210223 YHKHKVQYTQKYJY-CQSZACIVSA-N 400.420 1.512 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2cnc(C)s2)cc1 523071617 FQMWJTDGCWNROT-UHFFFAOYSA-N 408.505 1.513 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCS(=O)(=O)c2cccc(C#N)c2)C1 533146558 BFGNMUWUWQHHNH-KRWDZBQOSA-N 421.519 1.065 30 10 HDEE Cc1ccc(NC(=O)CN(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 533596641 MURROUYXPGAAFN-HNNXBMFYSA-N 420.535 1.579 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2COc3ccc(Br)cc32)CC1 533924114 VIDDXCCWFLLJSH-HNNXBMFYSA-N 408.296 1.372 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)NCCN(C)C 536155205 PVVZHWBUYVNTKX-HNNXBMFYSA-N 400.932 1.582 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 552792317 BDPNIFKOMVLLNO-INIZCTEOSA-N 406.508 1.549 30 10 HDEE Cc1ccn(-c2ccccc2CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 573613849 ZPJCKHKHSWGXRB-UHFFFAOYSA-N 409.471 1.647 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@@H]2CCOC2)CCO1 575106976 KQFOMPVHBFHQFG-PKOBYXMFSA-N 408.506 1.996 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 578606306 QEFNIWITSZUPSN-HNNXBMFYSA-N 407.544 1.578 30 10 HDEE COc1ccc(CCNC(=O)C(/C=C2\C(=O)ONN2C)=NC(=O)c2ccccc2)cc1 585673831 VKWSZEKEAHZULF-GNORYZMZSA-N 422.441 1.427 30 10 HDEE N#CCN(CCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 586123902 HFFVIDXVDUSDAB-UHFFFAOYSA-N 402.314 1.686 30 10 HDEE N#C[C@]1(F)CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)C1 589461359 KSRSDBRFRKODJU-BNSIRGCOSA-N 419.456 1.930 30 10 HDEE Cn1cc([C@@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2(CO)CCC2)cn1 590600073 HZPOCEQVXQQJBZ-HXUWFJFHSA-N 419.489 1.909 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 590914129 HHUJJIMKGCAGIA-KRWDZBQOSA-N 411.527 1.364 30 10 HDEE CNC(=O)C1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 604488111 BQDFXCWLXSRVDF-UHFFFAOYSA-N 400.483 1.560 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609253879 ONEMNQXDHNGYQA-MRXNPFEDSA-N 401.486 1.926 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 609547345 IXFTYPQJTOMOPC-UHFFFAOYSA-N 401.430 1.200 30 10 HDEE Cc1ccc(C#CCO)c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703982117 GMMNFSRJYLWVHQ-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[C@H]1CCS(=O)(=O)C1 729332214 KVRNDKWMCKUWEO-MJGOQNOKSA-N 400.500 1.177 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(OCC(=O)N2CCCC2)c1 740741355 AMYPRNWDWOJCQX-MRCUWXFGSA-N 412.446 1.543 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc12 742073558 AULPTAUOGGFISU-OCCSQVGLSA-N 400.508 1.260 30 10 HDEE C[C@@H](CC(=O)Nc1cnn(-c2ncccn2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742697596 ZHGVJGWAJYKAFJ-LBPRGKRZSA-N 411.447 1.118 30 10 HDEE COc1ccc(CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)cc1C#N 747070737 SNQYKRUZXUYXIU-UHFFFAOYSA-N 412.471 1.778 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 758309594 YWAWFMCOBFXZIP-KGLIPLIRSA-N 420.478 1.528 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 762510535 MFWRTQCUYIRQMD-LRWZUSMTSA-N 401.536 1.015 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c(C)o1 767954103 YALUCQOOPWYLQL-INIZCTEOSA-N 413.499 1.080 30 10 HDEE COc1ccc(S(=O)(=O)N(CCC#N)C(C)C)c(NS(=O)(=O)C(F)F)c1 769648791 JWROZTXVMKIIBP-UHFFFAOYSA-N 411.452 1.972 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 775880546 QTDTUGTUBZPFEJ-DZKIICNBSA-N 412.446 1.554 30 10 HDEE COC(=O)CC1(NCc2cc(Cl)ccc2OCC#N)CCS(=O)(=O)CC1 784399691 RMYXQTXYQWELLW-UHFFFAOYSA-N 400.884 1.842 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)n1 788819296 GUEFVVZHMWRECR-GOSISDBHSA-N 424.501 1.861 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 794745663 PMKARWKGTJUOSK-HOCLYGCPSA-N 416.503 1.801 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NS(=O)(=O)Cc1ccccc1C#N 796700314 ROTXJVYNUDFEJW-ZSHCYNCHSA-N 405.476 1.617 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)N(CCc3cccs3)C2=O)CC1 798229185 FQGRCNHQPFYQQN-UHFFFAOYSA-N 424.486 1.128 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2F)c1=O 799934199 PXPWNRPKGJCBGL-UHFFFAOYSA-N 416.474 1.576 30 10 HDEE C#CCN=c1nc(N2CC[C@@]3(CCCOC3)C2)[nH]c(N2CC[C@]3(CCCOC3)C2)n1 804717041 WQKLPBJQVBZZNU-SZPZYZBQSA-N 412.538 1.352 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 805786392 QNPCCXZILVYICV-FPOVZHCZSA-N 414.550 1.489 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)OCC(=O)NCc2cccc(C#N)c2)C1 811430565 SJTRCMNXIYNEDK-KRWDZBQOSA-N 405.426 1.923 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 856677224 ORTDIXQZRODXBI-LJQANCHMSA-N 404.492 1.347 30 10 HDEE CCN(CC)C(=O)CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 920751376 IMZGHBRXQXCHLG-HNNXBMFYSA-N 401.492 1.494 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cccc([N+](=O)[O-])c2)n1)Nc1nncs1 1084317116 IJPMHDYZZLJWJX-UHFFFAOYSA-N 405.425 1.741 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1132311921 XVLPTIVKFOBTSE-KSFYIVLOSA-N 409.490 1.708 30 10 HDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1134629989 YKOKCSQUAPGFSC-HLLBOEOZSA-N 412.446 1.611 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3N)CCO2)c1 1137994045 ICIMHVBKWGNEEY-QGZVFWFLSA-N 400.460 1.019 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(SC)c(Cl)cc2Cl)CC1 1152967497 JGHIRGTUOXXFFC-UHFFFAOYSA-N 422.359 1.941 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC2(CC(C(=O)OC)C2)C1 1154754599 ZSFKOXSRLSWMPI-AQZMIJIOSA-N 408.495 1.910 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1163598783 NIDCVSQOCOCBKX-KRWDZBQOSA-N 403.504 1.025 30 10 HDEE C[C@@](NCc1cc(O)n2ncc(C#N)c2n1)(C(N)=O)c1cccc(C(F)(F)F)c1 1167803844 FVUHSXSDWBHZLR-KRWDZBQOSA-N 404.352 1.816 30 10 HDEE N#C[C@]12CN(CC(=O)NCCc3cccc(Cl)c3Cl)C[C@H]1CS(=O)(=O)C2 1176711681 YTAHYCZQOUNPFI-SUMWQHHRSA-N 416.330 1.522 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)cc1 1190447017 QNFJJGRRQJAFTL-UHFFFAOYSA-N 420.512 1.618 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3ccccc3SC[C@H](C)C#N)C[C@@H]12 1196199146 XVRQOUWDBQZPTR-KKBFJZEXSA-N 423.560 1.621 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227631505 GUISCZBFTYCHIX-QZTJIDSGSA-N 412.494 1.104 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1230296335 ZRDOYXDGQDQMJL-RRFJBIMHSA-N 414.528 1.402 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1245975226 WTYBJCGIPHNWRB-OAQYLSRUSA-N 413.566 1.975 30 10 HDEE COC(=O)[C@@](C)(CCF)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1279258980 XZDQUJUPZVMXNH-AUUYWEPGSA-N 404.398 1.171 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1286375987 BRTOCRFRFVKXNX-CRAIPNDOSA-N 416.503 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H](O)C1 1286440972 OMAWKRMPDRDRIE-APWZRJJASA-N 406.494 1.931 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1 1286448207 XUTPTFOFXORYBH-FQEVSTJZSA-N 409.582 1.997 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1c(CC)nn(C)c1CC 1286459641 SLLGFVAFCQQLFA-UHFFFAOYSA-N 410.526 1.671 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H]1OC 1286467672 SMNSEOBLANZNTL-BRWVUGGUSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCCS(=O)(=O)c2ccccc2)CC1 1286480513 YLAMKEGGCUTVEC-UHFFFAOYSA-N 413.547 1.775 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CSCCS2)CC1 1286483813 ZLMJTEGXNXXXKM-MRXNPFEDSA-N 420.608 1.004 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286511612 BNVPCGSMIUSJJJ-JTDSTZFVSA-N 408.524 1.247 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(C)(=O)=O)CC1 1286653676 DKFKGUCAYBOCSK-UHFFFAOYSA-N 419.507 1.625 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1286690277 OXIFAQSLYGCYDN-UHFFFAOYSA-N 408.510 1.976 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1286710805 DFHXTPXIMJZNDS-GOSISDBHSA-N 413.526 1.881 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1286753664 FQPZVAYSRGKUBN-JKSUJKDBSA-N 419.555 1.526 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1286789321 CWZXVUGWLUCDSS-UHFFFAOYSA-N 424.549 1.814 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1287605240 GAKIQISQDLJJTG-OAHLLOKOSA-N 420.543 1.123 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1287732946 AIWNCGSTVXWJJR-ROUUACIJSA-N 417.558 1.513 30 10 HDEE CO[C@H]1CC[C@H](C)N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1287763650 VEYSPKFIUNRHGS-YJBOKZPZSA-N 405.520 1.985 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)ccc1F 1288947640 PRLFATDWCPCDMW-WTANOLMUSA-N 412.483 1.746 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1289436193 JSKKTSHCUFLEHL-MIALQEHNSA-N 417.487 1.088 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1c1cccc(Cl)c1 1289436897 QHRKRLWQRJNIRL-YMFLFHJQSA-N 421.906 1.256 30 10 HDEE Cc1nnc(N2CCN(c3cccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290863580 TYCLPVAHBKHEKW-ZCXUNETKSA-N 413.507 1.501 30 10 HDEE CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1295937881 CCWIUQGYTWSWDP-FQEVSTJZSA-N 413.457 1.186 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(Br)cc2-n2cnnn2)C1=O 1297062556 RNRZQROMPWOBEY-CYBMUJFWSA-N 405.256 1.284 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1298135331 YLPJHNKIJVEGOY-CRAIPNDOSA-N 415.519 1.867 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C(=O)/C=C/c1ccc(F)cc1)C1CCCC1 1299206715 PWQLBQSPQDIISC-XLNAKTSKSA-N 411.499 1.479 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1300499945 ZUSLUTNPFREVDX-AWEZNQCLSA-N 404.521 1.225 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1300762431 PIBOWBUMKPJCNH-LJQANCHMSA-N 419.595 1.697 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 1300842760 XCCRJBCGNYYFFD-PTSWNOGYSA-N 405.520 1.635 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O 1300919202 YXOAMSOXHVNCPM-UHFFFAOYSA-N 417.539 1.468 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CCO1 1300948354 DMRSDUKHJOTFDF-HXUWFJFHSA-N 408.458 1.907 30 10 HDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1301000683 WTABZFUOVKRQLD-HNNXBMFYSA-N 403.458 1.901 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301175141 ZOUNPCFPEUDMSL-CVEARBPZSA-N 421.571 1.972 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1301251551 GBIHZSBVADCZOE-JKSUJKDBSA-N 415.498 1.897 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301259015 DXCIJTSDAJAIFV-ROUUACIJSA-N 402.543 1.666 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1301297559 DPDOMERYFZBNFH-QGZVFWFLSA-N 422.493 1.464 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1302017431 YYMVQNFXWOGGLN-JXXFODFXSA-N 407.515 1.672 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(C)o1 1302585183 GTHZSLPNTRQMKW-UHFFFAOYSA-N 406.439 1.469 30 10 HDEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302825361 KOIIMEUQJSYTHY-INIZCTEOSA-N 403.556 1.330 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(OC)(c4nccn4C)CC3)cc2C1=O 1303254299 QHCQGNDTGNNREE-UHFFFAOYSA-N 408.458 1.980 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1303636834 RCUHFEHXEJRPHA-UONOGXRCSA-N 405.503 1.882 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CO1 1304391614 SMGUZXDDNSUHBK-GJZGRUSLSA-N 400.435 1.578 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2(N3CCOCC3)CC2)n1 1304734022 AWINLVMJRPNLBO-QGZVFWFLSA-N 412.542 1.743 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(nnn3-c3ccccc3)c2=O)c1 1307295780 OEUPXHIVVHVHHM-UHFFFAOYSA-N 413.397 1.307 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)CCOCC1 1307967709 CYFAEYJCNQVOGB-LJQANCHMSA-N 415.538 1.564 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 1307998870 AAKGTDABHWACHR-AZUAARDMSA-N 403.483 1.084 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1309844805 UKNFMONQGRKXIA-GFCCVEGCSA-N 400.273 1.836 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1311738233 ZDPBFMDBMIYZTH-KRWDZBQOSA-N 405.520 1.493 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 1325229266 WSMRVEUTAKUFPK-DYESRHJHSA-N 400.479 1.238 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1 1353929929 MUYYLTKDJQQLBF-RTWAWAEBSA-N 400.523 1.328 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)cc1 1354819248 WAVIQRCOXRWZOZ-RLFRPXQUSA-N 401.492 1.975 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1358873007 BKPJKXDMFUKWMO-MGPUTAFESA-N 414.514 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1 1358900388 JDCOPYMMGPMFAU-LNLFQRSKSA-N 403.527 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nncn1C 1359021699 YBEPSYRZQDRFQZ-UHFFFAOYSA-N 402.462 1.756 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2Cc2ccoc2)n1 1359027376 HGYDIAXIGDMHMF-UHFFFAOYSA-N 418.461 1.859 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)N[C@@H](C)CC)CC1 1359046659 AQTNIYGKRVJPDL-INIZCTEOSA-N 414.554 1.501 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1 1359098015 WMOHLHBTNOAQLV-RDJZCZTQSA-N 414.514 1.121 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1359115533 CKSBDKWIKFPTEY-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCCOCC1 1359296784 URWLSMXYGSYGBV-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359300884 LYAQBZCEXLGAQY-VGSWGCGISA-N 411.506 1.491 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](OC)C1 1359305061 RSQIMLQOQHBYMK-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)Cc3ccc(Br)cc3C#N)C2=O)cn1 1360900644 OCPIGLBLZDOFMZ-OAHLLOKOSA-N 402.252 1.518 30 10 HDEE N#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccn1 1437243066 OBKLEJNSXWWNJG-UHFFFAOYSA-N 409.471 1.911 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(Cn3cnnc3)CC2)cc1 1437419191 TVGIEFPYGZPVRY-UHFFFAOYSA-N 401.492 1.908 30 10 HDEE N#C[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1440866503 KNYIGTRQBMVSHU-CVEARBPZSA-N 411.842 1.499 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CN1CCOCC1 1445367446 GIAUXWXHBMJEIF-LSDHHAIUSA-N 405.923 1.174 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)ccc1F 1449581791 GJRVDLFUVSBHSI-HUUCEWRRSA-N 416.496 1.082 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCc3ccc(C(=O)OC)cc32)c1 1455299930 IRLAPKNJLJWQFJ-UHFFFAOYSA-N 412.467 1.978 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(Cn4cc(Cl)cn4)cc3)C[C@H]1CS(=O)(=O)C2 1462995987 BVIAXNPNMJKLNI-YJBOKZPZSA-N 404.879 1.595 30 10 HDEE C=CCN(C(=O)Nc1nc2cc(Br)ccn2n1)[C@H]1CCS(=O)(=O)C1 1466587662 HPRWCEPWGKTAGI-NSHDSACASA-N 414.285 1.699 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc2c(c1)CCCO2)c1cc[nH]n1 1470354276 TUXSYGFJANOJBN-CYBMUJFWSA-N 400.435 1.896 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)CC2)cc1Br 1471236996 AZOWYMSKXSIZAS-UHFFFAOYSA-N 400.298 1.524 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)cc1 1472166841 YQWCPZJVUKIJEA-QGZVFWFLSA-N 412.533 1.190 30 10 HDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1503418942 SFLVVAVTUYSONO-DXQAYGFFSA-N 409.450 1.092 30 10 HDEE C#CCCCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507573127 BMCGJGGATJQKAJ-OAQYLSRUSA-N 403.527 1.826 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507593554 BBQOESYGYUBOJH-SFHVURJKSA-N 415.563 1.947 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1507608024 HMSJCKCGSXWBIF-UHFFFAOYSA-N 411.510 1.074 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1nccc(C(F)F)n1 1507658608 MSHVAKANXWFCGE-UHFFFAOYSA-N 401.421 1.655 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1507690732 WEWIUGJXVWTCMU-IRXDYDNUSA-N 400.504 1.643 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1507982013 MECFJTLAEUEWPK-UHFFFAOYSA-N 400.361 1.307 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1508082336 SENARUZRXFJSCB-UHFFFAOYSA-N 409.494 1.091 30 10 HDEE CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N(C)C[C@@H](C)C#N)CC1 1508271167 BHZZTHTXUBISGO-KRWDZBQOSA-N 401.559 1.771 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1)CC(F)(F)F 1517315938 HPZSQMJGIJATQB-SUMWQHHRSA-N 413.448 1.853 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)n1 1524968480 WIXUNIUYJQRSPR-OAHLLOKOSA-N 405.549 1.920 30 10 HDEE C=C(CC)CNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1525399374 HAXMOKBKNGPBFD-UHFFFAOYSA-N 420.535 1.609 30 10 HDEE CS(=O)(=O)C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1526907821 AVELRRNUODNJCB-JSGCOSHPSA-N 409.895 1.458 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1531182037 RITXQKFJBXZLOZ-OAGGEKHMSA-N 422.547 1.697 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1535553123 RJGINYGWTQHGDT-KRWDZBQOSA-N 406.504 1.347 30 10 HDEE N#C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1cccc(Br)c1 1537419354 YHGJGHBFQISDME-CQSZACIVSA-N 405.256 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)CCOC 1539025246 GRUMWEYXOUZTKO-IFXJQAMLSA-N 405.524 1.515 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539125374 LNFUDMXYXXSQIW-YJBOKZPZSA-N 416.503 1.827 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1539220865 VSBPEUYHDUILFC-QGZVFWFLSA-N 402.520 1.857 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCCC1(C)C 1539238534 ZMDYJRROKXABGT-FGZHOGPDSA-N 400.523 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnn(C)c1 1539320657 XQFIUJGIUZOYCE-UHFFFAOYSA-N 402.458 1.961 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1539368665 ARYLSMTWZTVYTR-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539427981 LDNVUGXZVMYOIV-MOPGFXCFSA-N 412.538 1.251 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(C)(C)O)CC1 1539434392 KMEWBUYCQZZHQB-UHFFFAOYSA-N 407.316 1.562 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](F)COC)CC1 1539462370 DYJABKCEMPZKPO-RCCFBDPRSA-N 407.534 1.936 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)CC1 1539612528 NABYBXCAAHQCIE-SJORKVTESA-N 404.515 1.066 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1540007077 YBORSWBZWXQTEY-LSDHHAIUSA-N 418.585 1.406 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1)C1CC1 1540109783 TXSIFJGQUAJINQ-SJORKVTESA-N 423.583 1.303 30 10 HDEE CN(Cc1nnc2n1CCC2)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1540697365 VGIZJTYLBOBYHG-FAGJFJLWSA-N 414.510 1.970 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(CC)Cc1cnn(C)c1 1540873148 OVQHTLBRIAWAPF-UHFFFAOYSA-N 414.539 1.696 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540900376 SXPPAIJRWGYMQK-QGZVFWFLSA-N 415.519 1.357 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1541470881 FAVQJWALGMBQQH-GOSISDBHSA-N 407.522 1.953 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)CC1 1541992910 YQLABFKILKFLNJ-UHFFFAOYSA-N 410.526 1.978 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1543060713 STPOFJSNQYSYNG-QGZVFWFLSA-N 400.523 1.521 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCO[C@H]1C(C)C 1555671101 XYDHFAHHBUFZTG-TVFCKZIOSA-N 407.515 1.792 30 10 HDEE CS(=O)(=O)CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)C1CC1 1555804820 GXPJSFFTNGYEEG-UHFFFAOYSA-N 401.492 1.355 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C1CCOCC1 1557577580 HODKXPMAGIAYGR-CQSZACIVSA-N 401.282 1.255 30 10 HDEE Cc1nn(C)c(Sc2ccccc2)c1C(=O)NCCn1cc(C#N)c(O)nc1=O 1557599949 GVZFUYYZSPWPFH-UHFFFAOYSA-N 410.459 1.444 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccncc2)C2(CO)CCC2)cc1 1557656979 OJBOKOVOJFGZMX-LJQANCHMSA-N 413.499 1.627 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3COC4(CCCCC4)O3)CC2)cc1 1559639942 HJHHMKJFCRAVIV-GOSISDBHSA-N 405.520 1.940 30 10 HDEE C#CCN(CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 1560164549 AXAIJCPKSRBTHD-UHFFFAOYSA-N 413.927 1.643 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3cc(Br)sc3[nH]2)CC1 1565589827 AOIVDAXSENLUJR-UHFFFAOYSA-N 423.336 1.889 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n[nH]2)c1C 1565629478 AQDSASUBABJCJF-ZZEZOPTASA-N 409.450 1.332 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)cn2)CC1 1565661237 WXEBKGRLQUSSOC-DOXZYTNZSA-N 403.508 1.432 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566142109 PMXAWTRGTZYWRK-INIZCTEOSA-N 413.540 1.177 30 10 HDEE CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C(C)(C)C1=O 1566295692 QMFJBHHXTAJCBV-UHFFFAOYSA-N 405.296 1.836 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCc3c(C#N)cccc32)C1 1570500009 FDBPYWBFGFPBHC-INIZCTEOSA-N 413.503 1.888 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(CC(=O)Nc3ccccc3F)cc2)c(=O)nc1O 1584728573 BHQBNJDBHVGQOY-UHFFFAOYSA-N 421.388 1.780 30 10 HDEE Cc1cc(CSc2ncccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)no1 1585132577 QQMZDSGTWFDKEW-UGSOOPFHSA-N 418.500 1.681 30 10 HDEE CCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1cccc(Cl)c1 1585292264 GMRSXHQHOROZOK-UHFFFAOYSA-N 412.837 1.652 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585954105 ZJULNRUNSDGYSQ-LLVKDONJSA-N 414.325 1.696 30 10 HDEE C=CCOCCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1587497798 DUGVMNNNBDESKW-SFHVURJKSA-N 424.295 1.925 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588024653 ISNZTZJULWRWAU-BBWFWOEESA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1588035280 QOMDIHVQKHHIQG-QFBILLFUSA-N 410.540 1.213 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@H]1C 1588114018 YVWLHSOEZQAARF-AOMKIAJQSA-N 408.458 1.329 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1588266673 UHURXHJJAVCXNP-ZDUSSCGKSA-N 410.569 1.976 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1588314637 LPTXZFOZBBKGMB-OAQYLSRUSA-N 407.478 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1588645928 FGKPLSHQFZUHCQ-SJORKVTESA-N 422.551 1.083 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588733472 UQPVNTKPIXFFSS-RBUKOAKNSA-N 414.554 1.475 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@H]2C1 1593763885 SFJKFIMJJJNDEQ-SFHVURJKSA-N 402.543 1.668 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1594733615 WHBFWLHLWSSQBV-DOTOQJQBSA-N 420.539 1.458 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1CCS(=O)(=O)CC1 1595303375 RNMPOYONYXDKBP-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1595501019 JKWILYJHAGLNKG-UHFFFAOYSA-N 408.506 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[C@H](C)C1 1595754324 NAOMYQBUDSZFIT-JKSUJKDBSA-N 409.556 1.597 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1C(C)(C)C 1595831809 WTDSYEHSHSEWPZ-CABCVRRESA-N 409.556 1.424 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1597816003 PXSLLIKRTSVKEM-JOCHJYFZSA-N 424.505 1.606 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C1CC1)N(C)C 1613558615 IDXICWWKFQDVIY-JXFKEZNVSA-N 405.522 1.979 30 10 HDEE CCc1nnc(N2CCC[C@@](C)(OC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1613994550 RFIQOYGZNFHIHD-CECJQHFESA-N 402.499 1.762 30 10 HDEE C[C@@H]1CN(C(=O)CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC(C)(C)O1 1615935273 KNAJOMDPOPUVFG-OAHLLOKOSA-N 413.478 1.954 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)F 1620111288 QBVLSTBURHRBDW-GUTXKFCHSA-N 401.414 1.013 30 10 HDEE C[S@](=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1620178426 GCNCGCDETVFAOP-CRYBNRRWSA-N 404.540 1.660 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C1CCOCC1 1622380045 PIPFCHSCRAZLJB-INIZCTEOSA-N 418.512 1.683 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1624436964 DIJDCYSPZDZVEN-GJZGRUSLSA-N 413.515 1.637 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)CCC)CC2)s1 1624539123 DJRYCJGWOAIGHK-UHFFFAOYSA-N 413.565 1.662 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CS(C)(=O)=O)ccc2c1=O 1624550899 KCEASCGCVQHZHC-CQSZACIVSA-N 421.544 1.911 30 10 HDEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F 1626069719 HGMBLSHNLSEOAK-ABAIWWIYSA-N 419.425 1.387 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1[S@](=O)C(F)(F)F 1628385527 AQAQCYDNNRONQG-RFYAYMHSSA-N 401.366 1.570 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)c1 1629948874 VYOGWWNWEYIHCA-VGOFRKELSA-N 418.457 1.673 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCCCC1 1630112060 MPRKJVZYHXGYDK-UHFFFAOYSA-N 408.480 1.899 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1630397027 KQYHGWJQGFETQI-WMZOPIPTSA-N 406.504 1.588 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 1631222900 ZYNZJSPEQAZDAF-DOTOQJQBSA-N 405.470 1.893 30 10 HDEE COC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1632565308 HNAKMVPWIPXIEV-AWEZNQCLSA-N 421.251 1.477 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1632961391 YTFYMIBRNDZKML-UHFFFAOYSA-N 401.275 1.090 30 10 HDEE CN(C)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1633449577 BHLLRGBZHXBNOC-AWEZNQCLSA-N 409.368 1.258 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1633469382 DFLBSSGOZHXWJL-CQSZACIVSA-N 400.298 1.403 30 10 HDEE CC1(C)OB(C2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)OC1(C)C 1633535345 YZZDUKCGWNXZKY-UHFFFAOYSA-N 410.301 1.738 30 10 HDEE CCOCCOC[C@H](O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1634539827 HBVVAYGSOQYAFU-GDBMZVCRSA-N 409.870 1.095 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cn1 1634630549 CKMJBXZXNQJDJZ-UHFFFAOYSA-N 422.894 1.121 30 10 HDEE C#C[C@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccc(Br)cc1 1636542441 WVAIDTGQERQEFY-AWEZNQCLSA-N 411.281 1.174 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccncc3)n[nH]2)s1 1638193735 PWGZYDKSGSKBJT-UHFFFAOYSA-N 418.504 1.251 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638555317 KWAKQDRHNUSYDC-HZPDHXFCSA-N 423.510 1.393 30 10 HDEE COc1ccc([C@@H](CO)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1638763084 DGPGDLKIYJZKIX-GOSISDBHSA-N 402.472 1.374 30 10 HDEE C=C(C)CONC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1638885298 HGWJQZYIAADNIS-UHFFFAOYSA-N 403.420 1.707 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@@H]3Cc4cc(Br)ccc4[C@H]32)c(=O)nc1O 1641033791 IDNITRDAHAEWLX-RBSFLKMASA-N 415.247 1.285 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC)cc2OC)cc1 1641819793 WNDNZKUFJKRXMN-UHFFFAOYSA-N 401.444 1.219 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)nc1 1641881104 DKVGLJPJLWWJDX-ZDUSSCGKSA-N 419.894 1.971 30 10 HDEE C#CC[C@@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1642414989 IZYOROWJYMMEAU-HUUCEWRRSA-N 419.482 1.535 30 10 HDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C[C@H](O)CC2(C#N)CCOCC2)CC1 1643298843 BBRYLNYIMIKXBD-FUHWJXTLSA-N 401.573 1.440 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])CCOc1cccc(C#N)c1 1643566012 ZQDPWLYJHKEASV-UHFFFAOYSA-N 404.448 1.756 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)N3CCN(CCC#N)CC3)ccc2c1=O 1643821832 DSDNIZYZHODLTG-UHFFFAOYSA-N 415.519 1.393 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1644638005 GARTVOWDCSCUHS-SCTDSRPQSA-N 419.547 1.312 30 10 HDEE CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1645007855 OVRJAPWSAZRRKQ-DZGCQCFKSA-N 409.508 1.709 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN[C@@H](CN1CCOCC1)c1ccccc1 1645128185 PLLMNXKVDPNQTL-QFIPXVFZSA-N 403.482 1.949 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cnn(CCC#N)c2C)CC1 1648004796 JBVYGAWARYLJMY-OAQYLSRUSA-N 422.533 1.610 30 10 HDEE C[C@H](NS(C)(=O)=O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125858 SLEKPDRSSIKUML-LYFYHCNISA-N 418.306 1.554 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)NC3CCN(CC#N)CC3)cc21 1650788436 BMHKSRYEZDPCPA-HNNXBMFYSA-N 402.499 1.960 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1 1650925994 JLRYAALMEPSXTD-UHFFFAOYSA-N 401.444 1.758 30 10 HDEE COC1CCN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1653527018 AWGOZWZRCHIRPU-UHFFFAOYSA-N 421.479 1.284 30 10 HDEE CN(CCN1CCCCC1)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654906953 FEKCGGJQWFMZIZ-NRFANRHFSA-N 401.530 1.952 30 10 HDEE CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 1669803714 HQBZLNZCWYBIOS-GOSISDBHSA-N 405.501 1.822 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)CC1 1670465400 FEGKSRBNVXEDPP-UHFFFAOYSA-N 401.282 1.556 30 10 HDEE C#CC1(O)CN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCCC3)c2)C1 1672760900 YJUKGGOLIFNVDH-UHFFFAOYSA-N 407.492 1.472 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1681226122 BZBXQCZFGMCWIW-IAGOWNOFSA-N 416.478 1.960 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1)C(C)C 1681721999 WJDQQSHQGOTNOB-ZDUSSCGKSA-N 403.426 1.778 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)nn1 1683560318 WMSNJQVERMERCZ-SFHVURJKSA-N 404.902 1.990 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nnc(O)n1C)C1CCN(C(=O)OC(C)(C)C)CC1 1685391005 MKFWCHITHLIGOF-ZDUSSCGKSA-N 406.487 1.626 30 10 HDEE Cc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1686727030 IVAZNNFVBPZZAU-XJKSGUPXSA-N 412.309 1.837 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1689827675 ILYVIPRRJVRMHY-IRXDYDNUSA-N 410.588 1.468 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1689853779 YGERNAMNSFGESO-SWLSCSKDSA-N 423.395 1.927 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1689875018 IFLILWKLLXNTFJ-RDJZCZTQSA-N 424.571 1.044 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941409 PDFAXNFRSSEBMT-TWOQFEAHSA-N 404.467 1.846 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(CN2CCCC2=O)cc1 1689943078 KAMHOCIRHDNVCR-UHFFFAOYSA-N 420.517 1.754 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N2CCOCC2)CC1 1690115598 MDZBKSIHSWHPBA-UHFFFAOYSA-N 422.533 1.122 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCCCS(C)(=O)=O)CC1 1690119660 NKOJLELRJXLVHG-UHFFFAOYSA-N 415.563 1.915 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690636318 RTXQDXZWRYOQQJ-LJQANCHMSA-N 410.522 1.883 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1691183075 RCVNWRYZUZKGDW-MSOLQXFVSA-N 404.559 1.832 30 10 HDEE CCN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1695560867 OSPKRMZTULOEJF-FMQUCBEESA-N 407.478 1.779 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1698223346 NISCFDGHLPMBSM-VQIMIIECSA-N 415.494 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1705504253 QZBOSGCURAIGID-MUGJNUQGSA-N 419.570 1.817 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1705520356 RDBRFTYHWIIJPJ-UHFFFAOYSA-N 400.527 1.557 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1705547677 MEUDSZODNAWGLX-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccco1)N1CCCC1 1705572147 SCRQLYGLOQGURF-GOSISDBHSA-N 408.506 1.919 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705663033 UGMBICHYYLSAJL-QZTJIDSGSA-N 410.547 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1705699282 DZZSEAOCMFKUIL-BDXSIMOUSA-N 419.526 1.452 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1705734923 FCPNLZUUEZHIQA-KRWDZBQOSA-N 406.531 1.616 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705754886 HKLREUMQTBEFKN-QGZVFWFLSA-N 424.977 1.915 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705829029 FKVKIOQIGBNEOO-JKSUJKDBSA-N 404.515 1.317 30 10 HDEE Cc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707874911 KIWJFIVWKAXBPS-ATQAJOFPSA-N 408.462 1.900 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711155222 WRPFTZNTGFLWNK-LSDHHAIUSA-N 419.507 1.556 30 10 HDEE CO[C@]1(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1711632455 BBZWHSSQOGWGLM-UXPWSPDFSA-N 407.515 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1722276530 JBNRWFBAHWOEGK-KKUMJFAQSA-N 423.514 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1722280517 VYXQMPBBLMMGIA-UZLBHIALSA-N 405.499 1.619 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722348065 VXJSXKRGCGMSFT-UHFFFAOYSA-N 406.446 1.574 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1722393514 DMLMLMZIUUGKFQ-QHCPKHFHSA-N 418.501 1.816 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1722398669 HNPKKUDBMZVNRF-UHFFFAOYSA-N 424.530 1.362 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1722533997 FOHGRTXRUPWNSL-SFHVURJKSA-N 407.478 1.838 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1723773091 OZFXMQPEHFUDMV-DJJJIMSYSA-N 402.455 1.550 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](CO)O2)CC1 1724011389 ZYINVHKARUXBSG-JKSUJKDBSA-N 402.499 1.070 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1724235547 LSEODCGQHYTVQS-MSOLQXFVSA-N 409.494 1.381 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)cc2)n1 1725927098 FIKCKQCIKGRYNM-AWEZNQCLSA-N 406.494 1.883 30 10 HDEE COCCN(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1730723020 FSGMVTANVGDZJW-ZCXUNETKSA-N 416.507 1.539 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1730947391 VUMJAEPSYNBCAL-TWOQFEAHSA-N 422.505 1.606 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CC2(O)CC2)c1 1740561435 FQWUJUJSHBVBSE-UHFFFAOYSA-N 402.458 1.921 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1740610317 WXAMXCSKSUMYGX-KRWDZBQOSA-N 401.536 1.558 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccccc2C)CC1 1740694630 OZHHORZFJKCKRO-LJQANCHMSA-N 422.533 1.762 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1C 1740710451 XNZAGMFAZWFEKQ-UHFFFAOYSA-N 401.540 1.559 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1740877395 YHBPSMWVCFZKJL-AWEZNQCLSA-N 401.558 1.130 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740956848 RWLMFOMUVRZQLL-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1741126476 SCNBKIGANHWGDB-FRRDWIJNSA-N 416.498 1.920 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1743515022 JOECKADUFQVMRS-GHHWKCCRSA-N 407.515 1.528 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1747540580 FTGXKXKOGCNDQM-KRWDZBQOSA-N 404.478 1.632 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747839078 CDXWQGSUHMOVLY-GDBMZVCRSA-N 419.507 1.698 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1749132135 YWWWYKFKKHTFGO-XLIONFOSSA-N 405.543 1.753 30 10 HDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749725630 MKQLVTPLOANRBA-IBGZPJMESA-N 423.521 1.460 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1c(C)noc1C 1749730458 FHYVWKWRCHLDGQ-UHFFFAOYSA-N 419.511 1.521 30 10 HDEE O=C1CC[C@H](c2nnc(N3CCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1750415758 DMJVEEJJZQIKQO-RMYFCYLKSA-N 413.482 1.136 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1750974153 GEVNSYGAGQKUEX-VBKZILBWSA-N 414.466 1.313 30 10 HDEE CC1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1751290987 JWCGLCYBOBDVHB-HXUWFJFHSA-N 415.519 1.745 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)n1 1751845351 URPCQGICWRSQEO-QFBILLFUSA-N 403.462 1.387 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1760118197 ZPKUVGBCQOBEAB-CVEARBPZSA-N 402.524 1.535 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760144127 DWZHYCYMGJIISS-KRWDZBQOSA-N 420.477 1.650 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760159237 ABLWFSPHYPHBJK-NRFANRHFSA-N 419.526 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCNS(C)(=O)=O 1760167344 LKCHWAPDVFFZSK-UHFFFAOYSA-N 407.565 1.894 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCSCC2)cc1 1760171568 NKFWGBWDYYYYLS-GOSISDBHSA-N 410.547 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1cnn(CCOC)c1 1760199042 NHBWOBOSKNCLDO-UHFFFAOYSA-N 404.474 1.918 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1760312839 FKYKYUOZWMSXPF-WCXIOVBPSA-N 407.515 1.248 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760449645 PYOZAUQXTUUKOU-GJZGRUSLSA-N 406.487 1.099 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1760510002 AENQWFZMCGYOSH-WMLDXEAASA-N 413.569 1.130 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2ccnn2C)C1 1760524174 QPMCGAJEUIXROV-WMZOPIPTSA-N 413.526 1.939 30 10 HDEE Cc1occc1CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1761615646 HVIZBARMPPZJGH-GFCCVEGCSA-N 418.479 1.939 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1763489779 DGNMKVDDYTZSGL-VQIMIIECSA-N 424.505 1.679 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H](C)O1 1765237190 JPXYGNPGKJSEAU-YJBOKZPZSA-N 407.482 1.897 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@@H](C)CC#N 1767855914 GEOVHCUEUAZZOI-INIZCTEOSA-N 420.539 1.762 30 10 HDEE COCCCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1769675280 DHOLBBMEUCEYDG-UHFFFAOYSA-N 412.542 1.897 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC(C)CC1 1770051952 RALDTMCBNHLVCA-MSOLQXFVSA-N 406.531 1.463 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)c1 1771530518 MSPHACCPSJHBNI-OALUTQOASA-N 424.505 1.714 30 10 HDEE O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)ON1C(=O)c2ccccc2C1=O 1772787051 UZZMQPHSCWCMKE-JTQLQIEISA-N 406.441 1.342 30 10 HDEE N#CC1CCN(CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1850259553 NHKCOKQHDXOGIF-HNNXBMFYSA-N 401.536 1.511 30 10 HDEE C[C@H]1C[C@@H]1C(=O)Nc1c(C#N)c(Cn2cncn2)nc(=O)n1-c1ccc(Cl)cc1 1851896662 CZGOQPJVJGIPOK-FZMZJTMJSA-N 409.837 1.992 30 10 HDEE N#Cc1cc2c(cc1CC(=O)NCCN1CCN(Cc3ccccc3)CC1)OCO2 1852147766 SAGVBPNGHKPLGP-UHFFFAOYSA-N 406.486 1.763 30 10 HDEE COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852460128 IECVLOSBROXFNY-DLBZAZTESA-N 422.441 1.987 30 10 HDEE C=CCCN(C)C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(S(=O)(=O)CC)ccc2O1 1852817057 RNAGWRFDZWYCIX-MRXNPFEDSA-N 416.521 1.042 30 10 HDEE C=CCC1(S(=O)(=O)N(CCN2CCN(CC)CC2)Cc2cnn(C)c2C)CC1 1853597046 LYKNTTVKFFNMPF-UHFFFAOYSA-N 409.600 1.607 30 10 HDEE Cc1nc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)co1 1853718572 QPWDCVUZTFTDKQ-HXUWFJFHSA-N 407.474 1.722 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854270830 BPZDRRBVWPFWII-SFHVURJKSA-N 405.458 1.860 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)[C@@H]1C 1854311109 HLMHCGJIOOBELZ-KRWDZBQOSA-N 419.547 1.723 30 10 HDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854400584 ADCULMHWMZEAEM-UHFFFAOYSA-N 405.476 1.075 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccn3c2)C(=O)C12CCCCC2 1854427045 IJEXHLFABSOIAO-UHFFFAOYSA-N 414.487 1.780 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854643594 PSHVVVSWWNQIOP-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(CC(F)(F)F)c3cccnc3)C2=O)CC1=O 1854993909 CEDQLHKZJQJYOX-DZGCQCFKSA-N 410.396 1.612 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC(Cn4ccnc4)CC3)CCC2=O)ccn1 1855518354 JNKUBGQJNGSQJN-GOSISDBHSA-N 406.490 1.941 30 10 HDEE CC(C)CS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855619974 ACGSGNVHLATOEJ-KRWDZBQOSA-N 418.519 1.640 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855667255 RTZDYKVQPRBESE-WMZOPIPTSA-N 414.506 1.464 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)cc1 1855724841 LPAJTMCJEJHFMS-QGZVFWFLSA-N 405.520 1.632 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnc(C#N)c1 1856095644 JNGUMVDAXVBEAR-UHFFFAOYSA-N 410.455 1.879 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2c(Br)cnc3nccnc23)CCN1CCC#N 1856189082 HTBZHYBXMAGKLT-SNVBAGLBSA-N 403.240 1.374 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)c1 1856196862 DBHCMEBWQXIHRK-WMZOPIPTSA-N 418.519 1.121 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(CCn4cccn4)C3)CC2=O)cc1C#N 1856372743 NLYSOONVPUQIKM-FQEVSTJZSA-N 406.490 1.122 30 10 HDEE Cc1cc(C)n(CC(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)n1 1856459631 MVXCLEHEIDDIQE-LJQANCHMSA-N 406.490 1.774 30 10 HDEE Cc1cccn2c(=O)cc(CN3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)nc12 1856502843 IDEYZJSMDBWQGA-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3Cc4ccccc43)C2)CC1 1857035800 BUOYVUWNPJVZFL-WMZOPIPTSA-N 401.488 1.267 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4ccc(F)cc4C3)CCC2=O)CC1=O 1857068050 LPZNSOYNLNJXSR-LPHOPBHVSA-N 413.493 1.984 30 10 HDEE CC1(C)C(=O)N(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1CCCC#N 1857084812 SNBIASAOIUUWTO-UHFFFAOYSA-N 409.483 1.743 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O)n1cccn1 1857464381 BEFJVSAMIOUGKY-JKSUJKDBSA-N 408.462 1.239 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 1860730250 DVSNQYLPMWMXOY-KRXBUXKQSA-N 416.411 1.461 30 10 HDEE C=CCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCC3(CC2)OCCO3)n1 1871626936 DWPHTGWZTANLPY-UHFFFAOYSA-N 408.466 1.855 30 10 HDEE O=C(N[C@H](C[S@@](=O)CCC#CBr)C(=O)O)OCc1ccccc1 1883403822 ZNSQTAIMIRVHDC-ZLOXQWCVSA-N 402.266 1.861 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 1888159580 KCZALPGTLRZIKQ-LBPRGKRZSA-N 403.467 1.869 30 10 HDEE COc1ccccc1OCC#CCNC(=O)c1cc(S(C)(=O)=O)ccc1OC 1890042182 RSNUOQOLMHNTPS-UHFFFAOYSA-N 403.456 1.920 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2OCC(=O)N(C(C)C)[C@H]2c2ccc(OC)cc2)C1 1890964231 SRZNSHWQIAWSHO-HLAWJBBLSA-N 400.475 1.623 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1F 1891234176 IQGPMLHNYLGAHB-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE COc1cc(CC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc(OC)c1OC 1891460939 YYDWIUJBANJXPQ-HNNXBMFYSA-N 412.446 1.987 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1896954851 KDKQVNVNXUFBGB-JZKQVHKSSA-N 410.320 1.957 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc(Br)n1C 2010384489 PTOWPYUAFMXEBX-JTQLQIEISA-N 400.277 1.501 30 10 HDEE CN(C(=O)[C@@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010398887 PXNKPFSMVQGRAP-INIZCTEOSA-N 420.315 1.834 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1C#N 2054407369 FLJWDSDNIYQICR-QGZVFWFLSA-N 400.460 1.951 30 10 HDEE CCOC(=O)NS(=O)(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157019886 HVWPTRPUTKPZCY-UHFFFAOYSA-N 404.319 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)cc(F)c2F)[C@H](C#N)C1 2162919921 FYQNWINIEIUALA-LLVKDONJSA-N 402.423 1.681 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181129978 KCLWDIFFHQXTLJ-CYBMUJFWSA-N 415.537 1.361 30 10 HDEE COC(=O)NS(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186600585 UQYJZOGSXLEMFF-VIFPVBQESA-N 405.307 1.036 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1ncccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2212757467 IVRRQEHONFEYCK-ZDUSSCGKSA-N 407.276 1.138 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247828362 GQAMZRIRBHWAPT-BTTYYORXSA-N 418.303 1.304 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247841691 XFQIZUCEEDDYGX-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247923446 YOVXQKYFCFGDBH-HXUWFJFHSA-N 423.319 1.319 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2248405402 UEWZLQURJABEIH-XHSDSOJGSA-N 420.315 1.619 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3[C@H]4CNC[C@H]34)cc2Cl)OC1(C)C 2267702493 HRAKIDKLEHHESO-IUCAKERBSA-N 404.750 1.197 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267705437 YCQNCFOTLNYATA-APXPCNQMSA-N 407.388 1.401 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)C(F)(F)C1 2279114283 BXZCEGHKMTVCQW-STQMWFEESA-N 408.471 1.701 30 10 HDEE CCNC(=O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282307005 VZOPYOQIDYYSMV-UHFFFAOYSA-N 422.765 1.457 30 10 HDEE C[C@@H]1C[C@H](O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332768 GMUDOIWPQRBOTM-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CO[C@H]1CCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415888 NTDGQBRUWIEARL-YPMHNXCESA-N 402.347 1.429 30 10 HDEE CCCN(CC(=O)NC)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495881 SMJDJWNBVZFKBP-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NO[C@H]2CCOC2)c1B1OC(C)(C)C(C)(C)O1 2282504586 RBORBMQDUSZDTB-LBPRGKRZSA-N 403.331 1.663 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(C)(C)C1 2282853566 FOMCNYLPNCXTKS-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H](CO)C3)s2)OC1(C)C 2282859429 MKQLBJICJZDZRQ-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC(F)(F)CC(=O)O)OC1(C)C 2284402108 LPZKPSYEKXDBNB-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE COC(=O)CSc1nncn1N=Cc1cc(Br)c(O)c(OC)c1 2321295811 QIYHYEKFINJLRL-UHFFFAOYSA-N 401.242 1.902 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)c2cccnc2C#N)CC1(F)F 2361773158 OPURQLDFMQPUAY-OAHLLOKOSA-N 402.423 1.876 30 10 HDEE CC[C@]1(C)[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2361945934 DOBGLZPFYACHIU-CXAGYDPISA-N 401.359 1.971 30 10 HDEE C[C@@H](C#CC(=O)O)NC(=O)NCc1c(Br)c(Br)nn1C 2366877236 HHTXLPVXEMUXAT-LURJTMIESA-N 408.050 1.221 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367788403 PCFCOFLKWZLJML-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367788794 BDVQUPOWHBCMHE-HZPDHXFCSA-N 401.525 1.734 30 10 HDEE CC1(C)OB([C@]2(C)CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2368352464 XUAJMGUEQMCOAL-SUMWQHHRSA-N 403.375 1.992 30 10 HDEE Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2O)n1N 20292259 RVLJOFVJPOLJBD-AWQFTUOYSA-N 413.463 1.888 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCc1nnc(C(F)(F)F)o1 20915839 WLSXJOZFCAGWLQ-BLLMUTORSA-N 400.346 1.838 30 10 HDEE C[C@H]1C[C@H]1C(=O)NCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 31118103 HFTMFINOUXEYNJ-XJKSGUPXSA-N 412.469 1.676 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 238963072 YRGQPTARVRDQMT-HUUCEWRRSA-N 423.498 1.715 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCN1CCO 427407337 WWJUWXNHDWDOMS-INIZCTEOSA-N 408.458 1.814 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)cc2C1=O 428002724 ZHGUGLBSUJWIJP-RNISPETHSA-N 404.466 1.707 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2CCO)CC1 430304591 OGTXOLAWWPPILD-DOTOQJQBSA-N 406.508 1.125 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 439712922 UCKKZINLWXNEDX-UHFFFAOYSA-N 403.464 1.067 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C1=O 440260600 OJDUFTJEEJYDAP-INIZCTEOSA-N 408.462 1.533 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)c(OC)c1OC 471587470 IFIOJRAQPQEARP-UHFFFAOYSA-N 412.446 1.521 30 10 HDEE COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 474069427 XUPHUMQHDZVQME-UHFFFAOYSA-N 414.487 1.868 30 10 HDEE N#CCCN(C(=O)CCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 474911445 JIWABXDHEUXCPX-IBGZPJMESA-N 412.490 1.610 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C 477031592 GXGMKEVJYYGJBQ-UHFFFAOYSA-N 424.295 1.376 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2cccs2)C1 483087832 JXQDYDAPNGMSLU-CJNGLKHVSA-N 405.501 1.887 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 495295488 XGRKBKZWXZMESQ-RBBKRZOGSA-N 417.513 1.953 30 10 HDEE COc1nc(N2CCN(C(=O)c3cc(C#N)ccn3)CC2)ncc1Br 500501539 HNMXUBOHZNSWKG-UHFFFAOYSA-N 403.240 1.477 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 500967768 TUUQBKHYAYVZTI-KRWDZBQOSA-N 409.483 1.631 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 504017137 CEHYWTZLEIUCBA-UHFFFAOYSA-N 412.534 1.900 30 10 HDEE COc1ccc(C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 507826647 CONJHQKRADKTJC-UHFFFAOYSA-N 407.492 1.482 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COCC)C1 508921653 MINIOEZZKMGJFF-CVEARBPZSA-N 413.544 1.050 30 10 HDEE Cc1noc(CN2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)n1 509072222 XMFBMVNKCCFIOL-UHFFFAOYSA-N 412.469 1.950 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1cn(C)c(C)n1 511972807 UUTFKCIEBHGUHA-UHFFFAOYSA-N 407.452 1.130 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C#N 515664019 WKVUZDNLIZSGIC-UHFFFAOYSA-N 416.462 1.477 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1C[C@@H]1CCCO1 521772496 CWZZTIHYXTUZAI-SFHVURJKSA-N 423.538 1.511 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 550240532 PCRXKZQEBQHGAH-QRQLOZEOSA-N 412.490 1.732 30 10 HDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NC2CC2)CC1 555255166 DVEDIWRBRCUUAG-HXUWFJFHSA-N 422.533 1.931 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 558996072 YHQDCKLDZCAQFD-MRXNPFEDSA-N 421.505 1.289 30 10 HDEE N#Cc1csc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 576156295 HZKAGPQARWYSAJ-UHFFFAOYSA-N 406.518 1.526 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(NCc3nc(C#N)cs3)CC2)cc1OC 579896706 RNDDUBXUILGLKF-UHFFFAOYSA-N 422.532 1.975 30 10 HDEE C=CCNC(=O)C(/C=C1/C(=O)ONN1c1ccc(OC)cc1)=NC(=O)c1ccccc1 585673884 WNAKJPRBJDPRMU-JURPEEDWSA-N 420.425 1.946 30 10 HDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCc1ccc(C#N)cc1F 586859065 QXRRDHVVHAPGQN-GFCCVEGCSA-N 418.450 1.181 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1COc2ccc(F)cc2C1 589530503 IVMHCXSPZWSOMX-WBMJQRKESA-N 403.435 1.484 30 10 HDEE CN(C)C(=O)CN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(C#N)cc1 602264841 BHOFESLEMAVCBD-UHFFFAOYSA-N 418.457 1.397 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)c(F)c1 609253836 MZQPHZVWLNQPBK-UHFFFAOYSA-N 409.465 1.841 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(F)(F)Oc1ccccc1 669810685 ZWOHGNGRQVMKPD-UHFFFAOYSA-N 420.464 1.803 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(C#CCCO)c(F)c1 703973087 HNHOLKGQJMVFII-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 730136705 AMQXGCNDLPBDOH-QGZVFWFLSA-N 419.551 1.131 30 10 HDEE N#C[C@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CCN1C1CC1 732652402 ZRFSSAVLUTZMRD-AWEZNQCLSA-N 406.280 1.962 30 10 HDEE C#CCN(C(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1)[C@H]1CCS(=O)(=O)C1 735463759 QEYZNVZIHJDYQG-KRWDZBQOSA-N 420.512 1.296 30 10 HDEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746331257 HHFPHGQVJUODAQ-SBOQUQFBSA-N 403.479 1.873 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCC(CNC(=O)OC(C)(C)C)CC2)n(CCC#N)n1 746383727 BDGUSZCVDUVFHH-UHFFFAOYSA-N 418.498 1.807 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)co1 760400260 ITBJHBVWSCSNGP-UHFFFAOYSA-N 403.482 1.064 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)ccc2c1=O 765276164 VDLHBORKPMKSAV-UHFFFAOYSA-N 409.533 1.766 30 10 HDEE Cn1ccc(CN2C(=O)[C@H](CC(=O)NC3CC3)S/C2=N\CCc2ccccn2)n1 765548962 VNPWDSMIQLHQBY-WXVFVKJXSA-N 412.519 1.527 30 10 HDEE C[C@H](CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[S@](C)=O 766729688 FFQXHPWRBIIUKH-PTFIGZPYSA-N 413.565 1.559 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@@]2(C#N)CCSC2)C1=O 771404060 WJOCGDHRSJBQHG-RTBURBONSA-N 402.476 1.286 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 774195326 MSUSCYAHZKGQBB-HOCLYGCPSA-N 411.474 1.623 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CCc3cccs3)c2=O)c1 776756659 RKKHQOGSTRMOHD-UHFFFAOYSA-N 408.508 1.953 30 10 HDEE CN1C(=O)c2ccc(S(=O)(=O)NC(=O)C3(c4ccc(C#N)cc4)CC3)cc2C1=O 785955648 HZAQSGVBNYTROB-UHFFFAOYSA-N 409.423 1.321 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 788646366 FAOJDURJDKCBBU-MRXNPFEDSA-N 414.462 1.734 30 10 HDEE C=C(CSc1nnnn1-c1c(C)n(C)n(-c2ccccc2)c1=O)C(=O)OCC 788809261 GGXHSRGEOINFQG-UHFFFAOYSA-N 400.464 1.672 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)n1 789178384 XADRYHKTEYJDJD-FQEVSTJZSA-N 424.505 1.261 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(C(=O)OC)cc1 789968199 MLYRJXZIOHFSJB-CYBMUJFWSA-N 414.491 1.950 30 10 HDEE CC[C@H](C)n1ncc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1C 791673627 UIRSKUMANAYBGK-ZDUSSCGKSA-N 414.466 1.836 30 10 HDEE C=CC[C@]1(C(=O)OCc2nc(N)nc(N(C)C)n2)CCCN1C(=O)OC(C)(C)C 791720235 OMZYEZSBBSGLIJ-LJQANCHMSA-N 406.487 1.909 30 10 HDEE N#Cc1ccc(C2(C(=O)OCCN3CCN(S(=O)(=O)C4CC4)CC3)CC2)cc1 797269667 PQZPBYGWMVCCPG-UHFFFAOYSA-N 403.504 1.243 30 10 HDEE CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801937667 SIZUOJSSVUZCAD-MRXNPFEDSA-N 400.508 1.545 30 10 HDEE CCOC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804162984 YQVQGVWYISGCAO-CJNGLKHVSA-N 404.442 1.687 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3ccnc(-n4ccnc4)c3)CC2)c1C#N 812019584 KMFXJTZJTLVAMY-UHFFFAOYSA-N 408.491 1.936 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C 813654300 MTVCEZYXQNQWIY-LBPRGKRZSA-N 405.469 1.285 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)c1 918956137 ANSRWNAQCMNKMF-MSOLQXFVSA-N 422.503 1.478 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCCc2nnnn2-c2ccccc2)cc1 918969320 GXQHYBLNCMSNHR-UHFFFAOYSA-N 413.459 1.526 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2ccc(CC#N)cc2)c1 921268374 OFIORGFERIGJBQ-UHFFFAOYSA-N 405.407 1.595 30 10 HDEE C=CCNC(=O)[C@H](C)Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084500022 DUPYMEUESNXQQU-VIFPVBQESA-N 420.411 1.850 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCN2C(=O)COc3ccccc32)CC1 1116681137 QCWISNUUNXANPB-UHFFFAOYSA-N 406.446 1.210 30 10 HDEE Cc1c(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cnn1CCC#N 1124524421 HAJAOPUZKIXIKI-UHFFFAOYSA-N 404.496 1.674 30 10 HDEE C=CCOc1cccnc1C(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 1127068861 ZJKLDGFQQRAZNF-UHFFFAOYSA-N 418.471 1.664 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(-c2ccc(C#N)cc2)n1 1127995687 ZHIBNCQHKBYSIX-OAQYLSRUSA-N 406.446 1.295 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1131708243 CVVDGSMAQVULJP-SFHVURJKSA-N 408.520 1.185 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(Br)nn1-c1ncccc1Cl 1141380270 KQLASADQNXAYSI-QMMMGPOBSA-N 400.620 1.403 30 10 HDEE CC(C)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CCC1 1141441764 BZUFDQSVHBTQIK-SFHVURJKSA-N 407.536 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CC[C@](O)(CC#N)C3)nn2)C1 1143195229 AERSLDLYTXEULA-AUUYWEPGSA-N 404.471 1.341 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3cccs3)c2)CC1 1152967868 SWXVCANOVLVNJR-UHFFFAOYSA-N 419.528 1.553 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C(=O)OC)c3ccnn3C)ccc2c1=O 1161505638 JOGHHXZFIBHTBA-OAHLLOKOSA-N 413.459 1.249 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2cc(Cl)nnc2C1 1163188574 FWYKTBKNTHNROI-LLVKDONJSA-N 405.867 1.253 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2n1CCN(C)C2=O 1176816335 DAPKLBUJMBLHKR-CQSZACIVSA-N 420.514 1.272 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCO[C@](C)(C#N)C1 1179393618 CPVZFOYSGVOOKX-MKBIKJNASA-N 423.560 1.839 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c3cccnc23)n1 1211731503 RSPCVMFBEYTKEL-UHFFFAOYSA-N 414.487 1.910 30 10 HDEE C#CCOCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Cl)CC1 1224886755 FQKCWHCBUOGSMU-INIZCTEOSA-N 407.898 1.919 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1C#N 1262634016 PYFUYHYIZALKEF-CYBMUJFWSA-N 403.460 1.156 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCC[C@@H]1C 1286460862 KRRVRPNZNIJXIY-KKSFZXQISA-N 412.494 1.563 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(OC)C2CC2)CC1 1286485451 MGYHNATZYAKYMA-LQBOVUBWSA-N 417.554 1.572 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1286507859 CROMAAPQXSXMOV-AEFFLSMTSA-N 416.551 1.943 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(NC(C)=O)CC1 1286555581 KXFPDMNEJCWDPV-LMMKCTJWSA-N 403.527 1.868 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1286782686 CIWLGDVNFUPURW-INIZCTEOSA-N 414.510 1.890 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCO[C@@H]2CCOC2)C1 1286809384 RVKZCVOCWVAKIE-IAGOWNOFSA-N 400.483 1.712 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC(C)(OC)C1 1286815719 DBNNPFAWHPDSCH-UHFFFAOYSA-N 411.915 1.819 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(Cn2cncn2)CC1 1286817633 OMBFUXDJBQTPCO-MRXNPFEDSA-N 421.571 1.901 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286825198 NKKDXOANXQJYMD-MRXNPFEDSA-N 420.583 1.928 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C1CC1 1287003466 XOWBQGZWTSHHPY-UHFFFAOYSA-N 409.494 1.637 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1287160704 FXDVHDVRKDSAMS-ULQDDVLXSA-N 401.515 1.078 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@@H]1CCCO1 1290863120 ADFKJAJUCJTKKL-IBGZPJMESA-N 411.510 1.766 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@H](C)O1 1291218223 PIECHAADPDJCKZ-GJZGRUSLSA-N 418.523 1.370 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O 1291775846 MQWBTMUZITVNEP-JKSUJKDBSA-N 415.556 1.614 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)cn1 1297663241 XVCQTYOLSZEDIV-QGZVFWFLSA-N 400.460 1.280 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1300315343 VSSINWCAZRYUGI-AZUAARDMSA-N 421.549 1.821 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1Cc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1300498152 HSNIMFJHESNIGD-SJORKVTESA-N 400.504 1.471 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1300672302 XYSSITJLKMXFKR-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC(C)C)CC1 1300710761 KFUIDCCFYNVUMA-UHFFFAOYSA-N 418.542 1.197 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300742707 SHOLVLZWCJFUPH-KRWDZBQOSA-N 408.487 1.824 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)C1 1300878041 ZMQMNLIFWHLOHH-YOEHRIQHSA-N 402.886 1.911 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1 1300890877 IKCXWRHRJFVAAA-XLIONFOSSA-N 413.526 1.752 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301259125 GJWFVKUEJZNTCW-ZWKOTPCHSA-N 419.526 1.377 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301477502 BNSCIFKCRSFPLF-MRXNPFEDSA-N 417.558 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301492586 KORMGCIRJILCQC-QWHCGFSZSA-N 418.841 1.410 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1301595875 CSGYOIHTERKGNV-UHFFFAOYSA-N 420.583 1.738 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1302195079 LAZSZXMADZHYDD-QGZVFWFLSA-N 422.493 1.483 30 10 HDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1302338119 GDXRFLQIDGMNLK-MGPUTAFESA-N 403.506 1.936 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCC)c(OCC)c2)CC1 1302921644 NTTIUNVMMNJVJO-UHFFFAOYSA-N 409.508 1.100 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC=CCC2)CCO1 1303001801 KMKJLQLRXLRARU-SFHVURJKSA-N 409.450 1.844 30 10 HDEE N#Cc1cccc(OCC(=O)N2CCn3ncc(I)c3C2)c1 1303996856 PKTCDAIEDBUVFH-UHFFFAOYSA-N 408.199 1.781 30 10 HDEE O=C1C=COC2(CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)CC2)C1 1304200055 GHHGZCLGRXJWDQ-UHFFFAOYSA-N 400.431 1.234 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1307160059 OLHLMNCTRUKHIF-UHFFFAOYSA-N 401.448 1.623 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COCCOC)C1 1315042286 FSBJSKICKXEUTC-KRWDZBQOSA-N 412.494 1.442 30 10 HDEE CSCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1316472272 WMDUWNAYGWBMCD-CYBMUJFWSA-N 409.537 1.882 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 1352234461 DNFHSMJMJNYKLD-QGZVFWFLSA-N 424.461 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1358974237 WKINQHYMSBKKRM-QHCPKHFHSA-N 424.501 1.967 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCOC[C@@H]1C 1358995983 NLSNXAWXOLJUAQ-KRWDZBQOSA-N 412.563 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1359045395 FWENQKJOAAXBIR-SZMVWBNQSA-N 403.502 1.886 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2[C@@H]2C[C@H]2CF)CC1 1359046971 MJNKSJONHFYTIW-ZWKOTPCHSA-N 413.501 1.636 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359048801 BPJOREGSMLRUBC-UHFFFAOYSA-N 413.551 1.588 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359142070 AIGMKDRSUKLPFI-CHWSQXEVSA-N 413.935 1.368 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1 1437068461 AGFPDDYTGBLLNW-LJQANCHMSA-N 402.447 1.951 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCNC(=O)c1cccnc1 1441403503 JIEGPDCBFQJVOL-MRXNPFEDSA-N 403.483 1.905 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1450527487 OTBZRBJDAJHLDH-DOTOQJQBSA-N 401.463 1.579 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)CN2CCCC2)C1 1450597570 DIRAYKSOXNWNRA-INIZCTEOSA-N 407.312 1.330 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc2cc(F)ccc12 1455104539 DUEAGMIRTIYCBM-UHFFFAOYSA-N 402.407 1.712 30 10 HDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CCOC1 1460458619 CYYHXCFPEYCJPA-AVRDEDQJSA-N 414.506 1.271 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 1464715652 ARFKVIMWGJKRJQ-LJQANCHMSA-N 419.547 1.156 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)n[nH]2)c1C 1465531122 NEIWZTOWYREELG-KPZWWZAWSA-N 422.493 1.733 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H](C[C@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1468580806 VNAMAOYIXPTDCM-JSGCOSHPSA-N 418.441 1.956 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1470336953 QHCLMOBAYMATED-LJQANCHMSA-N 408.455 1.416 30 10 HDEE N#C[C@@]12CN(C(=O)C3(Cc4cccc(F)c4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1472035080 AFYMCWUICGSNHO-JXFKEZNVSA-N 406.479 1.562 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CC(=O)NCc2ccc(C#N)cc2)CCO1 1473682786 IFNXRUWMEAPTAO-NRFANRHFSA-N 403.479 1.234 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(C)ccc(Br)c2F)CC1 1474682182 SZVRHKIYPIJVHO-UHFFFAOYSA-N 404.305 1.482 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCc1cn[nH]c1 1507620704 JPDQZLYUPSOKKC-UHFFFAOYSA-N 418.549 1.678 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1507621959 DDTFGCPLJHYKMM-LJQANCHMSA-N 419.595 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C)CCOCC2)CC1 1507718702 GTXMBKFVVFSDJR-GOSISDBHSA-N 405.543 1.574 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1507744109 NYIKBPROUIXTOY-INIZCTEOSA-N 420.583 1.524 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507757269 WQOHACXYLDSEQK-ZWKOTPCHSA-N 410.547 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCC(=O)NC 1507809178 UJRDJSAIFBKVBY-CAMMJAKZSA-N 421.542 1.556 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1 1507961922 IWVZSXSSWKMZJX-UHFFFAOYSA-N 413.482 1.968 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCSC2)C1 1508072794 SEFQZYLNROSDDS-LJQANCHMSA-N 404.540 1.150 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2ccsc2)C1 1508122045 HPMCGCPMMMLZNI-GUXCAODWSA-N 417.535 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1508135742 OXRLCOPYJUOAPL-UHFFFAOYSA-N 408.528 1.114 30 10 HDEE CN(C)[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1516987245 HFDHUPOWVYKFCC-MOPGFXCFSA-N 421.546 1.393 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cn1 1523328870 UURMGIWYDOJOMZ-UHFFFAOYSA-N 406.414 1.307 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)[C@H]1c1ccnn1C 1525651002 LUGLUUNOOGGEAA-UXHICEINSA-N 404.430 1.767 30 10 HDEE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1527921108 RFJJQPSBEMTBOC-UHFFFAOYSA-N 405.418 1.868 30 10 HDEE CC(=O)N1CC[C@H](CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1533918654 FVZVKHCCZMYHEF-SJLPKXTDSA-N 411.462 1.090 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cn(C)nc1I)C(=O)OCC 1535344910 KXPBKZDUOPEFMI-VIFPVBQESA-N 411.627 1.829 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1536467286 MGBYRPWQQBJFAQ-MRXNPFEDSA-N 424.548 1.512 30 10 HDEE COc1cccc2c1CCC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1537740402 YGMKVLOKIWVSQQ-OAHLLOKOSA-N 413.499 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(CC(C)C)CCO1 1539025577 KESNTWYAZZDZPC-AZUAARDMSA-N 413.570 1.954 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1539178101 DRPAZVKXIXZAAF-AWEZNQCLSA-N 414.491 1.005 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCN(CC)CC1 1539193707 HZDQPPHBAOJBFA-LJQANCHMSA-N 421.549 1.824 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1539210313 BKHAYEZOCDYWIE-CQSZACIVSA-N 421.910 1.145 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1539436249 OAYBMBMTQAGQAP-IBGZPJMESA-N 422.533 1.624 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCN(C)C2)CC1 1539454731 ZNCSEQVXUXWFKP-DEOSSOPVSA-N 422.577 1.275 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1539495995 AOMXLGRIJCYWAB-QZTJIDSGSA-N 418.611 1.579 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539530660 LKAMBCLEPUTLPU-OXQOHEQNSA-N 421.567 1.352 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1cccc(C#Cc2ccccc2)c1 1540656915 NUTSPGBUFQNSAC-UHFFFAOYSA-N 407.451 1.894 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCSC2(CCOCC2)C1 1540870932 ABYBSFYDQPJJIZ-OAHLLOKOSA-N 407.540 1.187 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C#N)CC1 1541247547 CYGFKLINUMQDGO-UHFFFAOYSA-N 403.508 1.859 30 10 HDEE C[C@]1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCNC1=O 1543137658 NGXSKBBGEKIICJ-QAPCUYQASA-N 405.296 1.684 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1547254628 XHOHRZXFLOUFKN-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCN(Cc4ncon4)C3)CC2=O)cc1 1556564916 CFBKZHODCSMEEY-DLBZAZTESA-N 408.462 1.323 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1557384472 PBSUVVUODRTXDO-LJQANCHMSA-N 415.515 1.699 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sccc2-c2ccc(C)cc2)CC1 1558073718 YAZMLZJXVUKTBN-UHFFFAOYSA-N 403.529 1.949 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)c1 1558231760 ZFHXECODQMNUOA-HDICACEKSA-N 412.533 1.048 30 10 HDEE C#CCN(CC(=O)NC1CCN(C(=O)C2CCCCC2)CC1)CC(=O)OC(C)(C)C 1559976315 PJOIVSWMLGTDKN-UHFFFAOYSA-N 419.566 1.951 30 10 HDEE CO[C@@]1(C(F)(F)F)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1560103556 SSKZJDJZHLEIDS-INIZCTEOSA-N 401.389 1.157 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 1568701719 VTHVTMQERGWVRE-IBGZPJMESA-N 402.926 1.198 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncc(C(F)(F)F)cn1 1569322532 RUVMRVCJCDANGJ-JTQLQIEISA-N 413.381 1.350 30 10 HDEE C#CCNC(=O)CC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1573247534 HBVJQRBKHHVTAQ-NNIGNNQHSA-N 403.523 1.217 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC(n3nncc3I)CC2)cn1 1584600816 SQQGSTAWBLBLJB-UHFFFAOYSA-N 422.230 1.556 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1586376997 FDXIEEQYPXJRMQ-LBPRGKRZSA-N 403.298 1.563 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@]4(CCS(=O)(=O)C4)C3)cc2C1=O 1587557696 IYZKIUBGADMJJR-FQEVSTJZSA-N 402.472 1.510 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1587640630 UXOSFMFUZMSHIY-CVEARBPZSA-N 407.540 1.041 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCC(C)(C)O)c1 1587689623 NSVSIMSZRYFJGB-UHFFFAOYSA-N 419.489 1.952 30 10 HDEE CCN(CC)CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1587757401 OEMAOVBJUDBSNQ-OAHLLOKOSA-N 411.499 1.696 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](C)C1 1587783665 VBIJYOLJOLIFAW-GOSISDBHSA-N 402.543 1.361 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1588292747 AECZLHHVBFKZSR-INIZCTEOSA-N 414.420 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481901 DLUPZGYWVNEQIK-RDJZCZTQSA-N 411.572 1.901 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1589530872 YWGJRBJUKUZQHH-KURKYZTESA-N 418.542 1.615 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)OC1(C)C 1593777838 DZNVXYTVNIPAFS-UHFFFAOYSA-N 423.344 1.835 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1595530000 PDYRODNDEDNHPO-AWEZNQCLSA-N 409.494 1.439 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C#N)ccc1O 1598122659 XCDLRSWXSIHDMT-UHFFFAOYSA-N 401.444 1.846 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CNC(=O)c2ccccc2Cl)C1 1611245675 RMAHKUCCKPVNRG-SWLSCSKDSA-N 406.870 1.945 30 10 HDEE CCc1nnc(N2CCO[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614045199 HIKIVNRLQSGZIJ-MKSIGINJSA-N 422.489 1.945 30 10 HDEE COCCO[C@]12CCC[C@@]1(NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1616915663 QGHNUWDMEGUGOP-MTNREXPMSA-N 413.474 1.730 30 10 HDEE CN(C)c1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1617663163 QTGJDPHGJBMQRR-ZWKOTPCHSA-N 409.494 1.267 30 10 HDEE CCOc1ccc(C(=O)NCC(=O)NCc2ccc(C(=O)NO)cc2)cc1OCC 1618008389 VBXHVFNVNJWXFB-UHFFFAOYSA-N 415.446 1.649 30 10 HDEE C#CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1618091385 UKXRCCIZAPEWOF-RBSFLKMASA-N 416.565 1.139 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1618453309 PKVFPJTUERRKHE-IRXDYDNUSA-N 422.526 1.813 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1618575784 FAMVIDTVSFMYGN-JOCHJYFZSA-N 423.521 1.694 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(C)=O)c1 1619130868 PHSJLJMQTYJBPT-HXUWFJFHSA-N 416.457 1.930 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 1621669053 JTKDEPAZQOCVSO-GJZGRUSLSA-N 404.410 1.978 30 10 HDEE C#Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 1624409747 IDEMICPCBVUFPY-UHFFFAOYSA-N 411.483 1.806 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 1629122156 BOIJDBGCMWVFDP-MRXNPFEDSA-N 423.535 1.860 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2ccsc2)s1 1629986357 DPHIYMYBXDUOSX-MRXNPFEDSA-N 400.547 1.840 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)C1=O 1632248255 OZKJGOYPOJYVLU-SNVBAGLBSA-N 411.340 1.136 30 10 HDEE C[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)c1ccc(Cl)cc1 1637513312 MUOQOQWLHWZZRR-NSHDSACASA-N 400.822 1.766 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(CO)(NCC2CC2)CC1 1638863457 GAVGHCYYFGNFND-UHFFFAOYSA-N 410.522 1.504 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)cc1 1641293554 WDSWJSUIKOZVGH-SFHVURJKSA-N 419.547 1.314 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1642663380 VAFKIQYEUAEOKH-MSOLQXFVSA-N 411.543 1.796 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 1643612526 JLPKRGMFLITXHF-IBGZPJMESA-N 406.508 1.296 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2sncc2Br)c1 1645221490 MEQNSDRAZQAOIO-UHFFFAOYSA-N 414.306 1.747 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 1645273813 ILFMRSOESDYBBS-HNNXBMFYSA-N 404.517 1.771 30 10 HDEE C=CCC1(O)CCN(C(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 1645772053 NKULFZLYBXGQKR-CYBMUJFWSA-N 401.916 1.722 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1 1647788552 ZWPKTKXIUCZEMV-JOCHJYFZSA-N 417.506 1.585 30 10 HDEE CCOc1ccccc1[C@@H](CC)NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648503854 YAJCFBWRAWYYEZ-XAUMDUMWSA-N 405.520 1.523 30 10 HDEE C[C@@H]1COCCN1CCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1649561262 ALNICHDNDNVNLE-TZIWHRDSSA-N 424.549 1.903 30 10 HDEE C=CCn1cc(C(=O)NN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)nn1 1650644567 GGKCOMZKAUASOH-UHFFFAOYSA-N 402.414 1.605 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2c(Br)cccc2[N+](=O)[O-])c1=O 1652524526 FPRIHQOSASCMIZ-UHFFFAOYSA-N 423.223 1.263 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2noc(-c3c(F)cccc3Cl)n2)CC1 1653160583 QBTXBNHPLQFDJG-UHFFFAOYSA-N 413.862 1.114 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CC1)[C@@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1653161208 QZVCBUGLCGRRBW-ZXYWRSMDSA-N 405.520 1.825 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 1655010446 XHKOHEZQUHLVQW-QVKFZJNVSA-N 400.479 1.782 30 10 HDEE C#CC[C@H]1CCCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1659142979 YSPOCNRDKLOKHA-PMACEKPBSA-N 417.575 1.952 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1660104393 WZKUHCWNRCLULQ-GKVAYGERSA-N 421.538 1.837 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1669164777 UQDVJCOXFGRZFV-MRXNPFEDSA-N 403.570 1.997 30 10 HDEE CSc1ccc(CNC(=O)NCCNS(=O)(=O)c2cccnc2)cc1C#N 1679257290 MASKRUHWXOTPDX-UHFFFAOYSA-N 405.505 1.453 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1680776843 GNUZDVHGAUEMSB-AZUAARDMSA-N 421.519 1.453 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1682162952 LBFVIHLSLYBQFE-HKUYNNGSSA-N 407.536 1.910 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 1684867779 CQKVSTKBBCSNMS-IAGOWNOFSA-N 419.526 1.091 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1 1686841765 NQRVBRNKCPTNGK-UHFFFAOYSA-N 404.517 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(C)c1C 1689999614 DSJARTFZXLBQRS-UHFFFAOYSA-N 402.462 1.397 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)[C@@H](C)CCC 1690029663 HGGJEAJVVZXULX-SFHVURJKSA-N 412.538 1.529 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[S@@](=O)CC)CC1 1690139325 HQYHMBNZFHOTPP-LJAQVGFWSA-N 417.535 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cnccc2OC)CC1 1690144414 YLSULOGFDUZGCG-UHFFFAOYSA-N 408.506 1.963 30 10 HDEE C=CCN(c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1690545282 NDVZPSCQSRUIBE-PKOBYXMFSA-N 416.570 1.880 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@@H]1CCOC1 1696629563 HATNHMAUSSPDLO-QGZVFWFLSA-N 416.507 1.077 30 10 HDEE CNC(=O)CCn1c(C2CCC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1697002715 AOAQPXSKITWLBL-UHFFFAOYSA-N 407.522 1.876 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCc1n[nH]c(C)n1 1697587776 FHEIAVUSYYZJIM-MRXNPFEDSA-N 408.466 1.276 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1698218530 XJGCALQVXIXHPA-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1698443609 SOSGLAXTZLAUFR-RHSMWYFYSA-N 401.492 1.477 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cc(CO)nn1 1705499983 CWNLZDKLXLBTHR-QGZVFWFLSA-N 418.505 1.913 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1705534817 SEXMIPYNAFRWRG-UHFFFAOYSA-N 420.539 1.530 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1OC 1705709617 BXEIZNCFLICOLN-ARFHVFGLSA-N 415.560 1.342 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705810965 MVOZYUDZRBJGLV-QGZVFWFLSA-N 401.515 1.793 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1705832552 BCMUFSNSHRIXJW-GOSISDBHSA-N 403.575 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705900227 VDGZKKVIKCZTGS-UHFFFAOYSA-N 419.489 1.538 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C)C(=O)[C@H]1C 1705933966 XKYFRUZAYUTXSJ-CQSZACIVSA-N 407.496 1.114 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1710839907 XLYFKGODGXRGPT-SFHVURJKSA-N 411.554 1.925 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1712615561 LDEIWXGYYDRKDF-IBGZPJMESA-N 424.505 1.681 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2cnnn2C)c1 1722306909 WPPNZHSXBXZQDV-UHFFFAOYSA-N 406.494 1.809 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722324318 PEBSPDGCFNZQAE-CVEARBPZSA-N 419.555 1.104 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722333439 KOGUSTDYZGVDOI-OALUTQOASA-N 414.554 1.676 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1722350799 DQDOOBLRUCLRJC-UHFFFAOYSA-N 404.515 1.598 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722368901 XCUOXEFSHSUUMP-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCOCC1 1722391966 AADNUJVXJQXNMH-UHFFFAOYSA-N 421.501 1.859 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCn1ccnc1C 1722394864 JAOHBAKZRSIQOI-JOCHJYFZSA-N 410.522 1.988 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCCn1cnnn1 1722422104 WGSGUOKRUJOYST-UHFFFAOYSA-N 406.450 1.854 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCCO2)n1 1722428594 YRPWLJAGWGIXQY-SFHVURJKSA-N 422.493 1.397 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(SC)CCN(C)CC1 1722429978 XYAGRWOIPVVIQG-QGZVFWFLSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCn2cc(C)cn2)CC1 1722434992 CUWSIRHLOUWJSK-UHFFFAOYSA-N 405.506 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C)n(C)c2=O)CC1 1722445216 UJRFMTYOAFCYGE-MRXNPFEDSA-N 424.549 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)C(C)C)CC1 1722446480 XSUFSCJDKYIEBB-OAQYLSRUSA-N 413.526 1.051 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1722523098 AFEAEPRZIGSTLC-INIZCTEOSA-N 421.567 1.738 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1722621385 ZFTFPJRNDAWUPV-UHFFFAOYSA-N 419.448 1.903 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722681895 VDXFZHSKRWVWPP-GOSISDBHSA-N 411.506 1.755 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1722854460 OHSHLPIUEDXXAD-CYBMUJFWSA-N 408.466 1.858 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1723770643 BVGHIXQIGDHYSH-RDJZCZTQSA-N 409.494 1.674 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCOCC1 1723777693 JJJFTCBHCPVLSJ-KRWDZBQOSA-N 403.531 1.251 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1740588624 CNOQWMKBHCFVKO-QGZVFWFLSA-N 404.478 1.236 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC[S@](=O)CC 1740609501 OSDGZGZXDMZHHZ-GDLZYMKVSA-N 412.519 1.513 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1740622201 VYNUSFOZVJZFIJ-SFHVURJKSA-N 417.535 1.784 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(C)(C)O)c1 1740642142 RTSUTJARSUZQBJ-UHFFFAOYSA-N 405.502 1.749 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)OC(C)(C)C)CC1 1740695155 GYUNGMDMKFDTLY-UHFFFAOYSA-N 412.498 1.015 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCn2cccn2)CC1 1740704442 OANHRBBMNFFPMV-UHFFFAOYSA-N 418.505 1.593 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1740928776 VBBGDDTZMXGNCE-FQEVSTJZSA-N 424.534 1.967 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](NC(C)=O)C1 1740955809 HRAFRYREQARTRH-INIZCTEOSA-N 412.494 1.361 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CC=CCC1 1741920907 IPZMCUNUBSGORU-MRXNPFEDSA-N 421.571 1.280 30 10 HDEE CN(CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1747960144 ACOJJENMOSEVHT-OAHLLOKOSA-N 409.416 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1748685243 WPFCBRBBTJRFEZ-DLBZAZTESA-N 410.526 1.261 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1748721888 PNLWCRVJAYRMRG-UHFFFAOYSA-N 424.553 1.597 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748807744 CEZVVBAMKAPICI-MAUKXSAKSA-N 413.503 1.478 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@@H]1CCOC1 1748824635 FTVFXJBOCAADNB-QGZVFWFLSA-N 408.462 1.194 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCC[C@@H]1C 1748951129 SVRAFNNLLWWHQO-YYWHXJBOSA-N 406.527 1.567 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1748992863 IRVAEWJINGBMLB-UHFFFAOYSA-N 414.941 1.804 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)CCS(=O)(=O)CC 1749037499 FSFINWKOUQRPTH-OAHLLOKOSA-N 400.570 1.757 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1749130753 NLBQFSWKTFOTQN-RDJZCZTQSA-N 413.588 1.833 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1749341754 NYTORWYKAVUBCC-HOTGVXAUSA-N 407.540 1.599 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)CCOCC2)C1 1749717815 PRROVSXYFLSPST-QGZVFWFLSA-N 403.527 1.999 30 10 HDEE Cc1cnn([C@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)c1 1751722157 GNVLHJYMCFJEOT-RUNIHZNKSA-N 410.482 1.459 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1760098499 SXPSBPYNYUNIBZ-UONOGXRCSA-N 415.585 1.258 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1760114403 LWHJEPVRSXITNW-CRAIPNDOSA-N 408.506 1.632 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CCCN(C)S(=O)(=O)CC 1760173588 APLFPLKBTUXDPA-UHFFFAOYSA-N 403.552 1.918 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1760258394 VIDJRLWXXURZGE-SSEXGKCCSA-N 422.558 1.955 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760438184 ANWAKDRUOGNQNY-IAGOWNOFSA-N 417.558 1.232 30 10 HDEE C=CCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760443395 SWAIIGOEFLSBNA-GOSISDBHSA-N 408.506 1.177 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1760456783 XGCGIUJBWIIWSH-HOTGVXAUSA-N 418.567 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccoc1 1760547873 TXZWSXIPGJTJFI-UHFFFAOYSA-N 407.496 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760556012 SHFKLJRPBCWRQP-DOTOQJQBSA-N 412.556 1.777 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1761360976 YGHBUMDNKQJVQJ-QWHCGFSZSA-N 406.450 1.611 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763522560 XTQTWLOXWDBCMZ-IGGDJGDASA-N 423.477 1.482 30 10 HDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cs1 1764651244 QOQDSIYXGXGQOW-NEPJUHHUSA-N 411.557 1.551 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCNC(C)=O)CCOC1 1765872806 ROZDJYIRXNYBJG-FQEVSTJZSA-N 404.515 1.586 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1769385021 CDLUXPAOJRYGOA-HNNXBMFYSA-N 407.434 1.311 30 10 HDEE COCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1771276440 ACIAEBJKUJOJPW-HXUWFJFHSA-N 413.457 1.622 30 10 HDEE CSc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1771418936 AQDGMXUAMGJSBH-HNNXBMFYSA-N 413.507 1.408 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(Cc2cccc(C)c2)C3=O)CC1 1848520699 FWUIPUXYLGJLDB-FQEVSTJZSA-N 403.504 1.930 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)NC1=O 1851241240 NVSGEEICLMAPAV-GFCCVEGCSA-N 402.838 1.009 30 10 HDEE CS(=O)(=O)c1ccc(-c2cn3cc(C(=O)N4CCO[C@H](C#N)C4)ccc3n2)cc1 1851485269 MPDUGBYGOSRILB-MRXNPFEDSA-N 410.455 1.769 30 10 HDEE CC(C)[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)N1CCS(=O)(=O)CC1 1851626943 DBHYOWOEXGHETO-QGZVFWFLSA-N 401.492 1.437 30 10 HDEE COc1cnc(C(F)(F)F)nc1N1CCN(C(=O)c2ccc(CC#N)cn2)CC1 1852102602 GIYQXLYGMKCNGN-UHFFFAOYSA-N 406.368 1.927 30 10 HDEE CCC[C@@H](F)C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853692411 ZXYUENDWACBZPR-MSOLQXFVSA-N 406.502 1.726 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1=O 1853828184 IUDOJVNVBFGXQL-IAGOWNOFSA-N 413.474 1.308 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCN(C4CC4)C3=O)C3(CCCC3)C2=O)cc1 1854146166 ZCGMJAMFHPSYNY-LJQANCHMSA-N 406.486 1.919 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn(C(C)C)c2)C1=O 1854190820 SBQDUMPJKRPDRM-MSOLQXFVSA-N 401.511 1.704 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C)c(C)c3)[C@H](C)C2=O)CC1=O 1854334017 CZGCNWAJXQVXEQ-MJGOQNOKSA-N 411.502 1.580 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)c3cnc4sc(C)nn4c3=O)C2=O)CC1 1855126077 QQZLNIXPMYDLFM-OAHLLOKOSA-N 401.492 1.633 30 10 HDEE Cc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856653631 ZBXUAEJHMXKBFF-KRWDZBQOSA-N 405.476 1.450 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ncoc2CC(C)C)C1=O)[C@@H]1CCN(C)C1=O 1856757325 UTXOGBFOSWLKES-JKSUJKDBSA-N 402.495 1.723 30 10 HDEE COc1ccccc1CC(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856900984 WMQTYWRNCIXRAM-UHFFFAOYSA-N 413.455 1.861 30 10 HDEE Cn1cc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c(C(F)F)n1 1857119827 ITPIOLBXOHRLIU-AWEZNQCLSA-N 416.388 1.129 30 10 HDEE Cc1cc(C(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)n(C)n1 1857260379 KTERBBIRDFCUNY-MRXNPFEDSA-N 406.490 1.864 30 10 HDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCC(CO)CC1 1870494322 AVCVHZFMGGETOB-UHFFFAOYSA-N 417.550 1.876 30 10 HDEE O=S1(=O)CC[C@H](S(=O)(=O)NCC#CCOc2cccc(C(F)(F)F)c2)C1 1890628270 SHBYSZDFHQEILN-AWEZNQCLSA-N 411.423 1.194 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 1962320253 VFIFYMINRJIRCU-OAQYLSRUSA-N 417.347 1.942 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@@H]2COC[C@H]21 1965825099 DKXZNCRDJMSRRH-MBNYWOFBSA-N 413.521 1.922 30 10 HDEE Cc1ncc(S(=O)(=O)NCC2CN(C(=O)OCc3ccccc3)C2)cc1C#N 2054408400 QORILNZTPQRZCN-UHFFFAOYSA-N 400.460 1.809 30 10 HDEE COC[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2116138855 RJIBVYQADCQSJC-CYBMUJFWSA-N 413.121 1.995 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CC(=NO)C[C@H]1C2 2126502400 LBVZKOIREMMHRJ-CFZJUORYSA-N 423.466 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)CC2(C#N)CCOCC2)CCC1 2174788445 FMJOTXZERRPRFP-UHFFFAOYSA-N 401.529 1.969 30 10 HDEE Cn1cc(I)c([C@H](CN)N2CC[C@@H]3SC(=O)C=C3C2)n1 2177652905 WHJPYSVNEHNAQH-QWRGUYRKSA-N 404.277 1.299 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNS(=O)(=O)N2CCC(C#N)CC2)C1 2181215369 NSDBTJAPDOFWAZ-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@](F)(CNS(=O)(=O)c2ccc(C#N)s2)C1 2182451447 TVWURHBZKQCTGX-INIZCTEOSA-N 419.500 1.874 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NC[C@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471651 DJPPQSFFBBVKOJ-QWHCGFSZSA-N 410.487 1.252 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NCC1(N2CCN(C(=O)OC(C)(C)C)CC2)CCC1 2194721149 UTFXYLUJXXWBEV-OAHLLOKOSA-N 400.545 1.541 30 10 HDEE C#CCC1CN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2202429504 JIEJXLFJUBZJPX-UHFFFAOYSA-N 405.213 1.633 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ncccc2I)c(N)c1 2202451977 MDPMBRHAOGCMRA-UHFFFAOYSA-N 400.201 1.941 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](F)C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2234653711 LJIYHKNPHXVRSZ-ZIAGYGMSSA-N 405.492 1.574 30 10 HDEE N#C[C@@](Cn1cc(Br)cnc1=O)(NC1CC1)C1(Br)CC1 2240935812 ARQWJYIBYJHDPD-ZDUSSCGKSA-N 402.090 1.948 30 10 HDEE C[C@H](C(=O)NCCC#CBr)N1CCN(C(=O)OC(C)(C)C)CC1=O 2250000682 LWUYNKAZIHYZFX-GFCCVEGCSA-N 402.289 1.316 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC2(C)OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2267356556 MTXWWUBMNYPOET-UHFFFAOYSA-N 411.329 1.726 30 10 HDEE COCCSCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373729 HRABJXAHVXOQIV-UHFFFAOYSA-N 407.388 1.705 30 10 HDEE CN(C)CCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCC1 2280551347 WEJWXNRVCZXDCC-UHFFFAOYSA-N 402.561 1.788 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2281822759 VKDIPMXZUUIEIC-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE CC(C)(CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)NS(C)(=O)=O 2282015661 ZQMPYKHOXHUUCN-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCCC(N)=O)cc2Cl)OC1(C)C 2282304162 HDXGYLRTDHKAIN-UHFFFAOYSA-N 422.765 1.635 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCOC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282322841 RIIBBDHEJMNYIU-RYUDHWBXSA-N 405.322 1.761 30 10 HDEE CC(C)(N)[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496577 DDRKYRZECLROHH-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN(C)C1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCC1 2282498690 HVMGGJYAUCGYCV-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2282587239 JZHWFPDCADNMHV-JTQLQIEISA-N 402.347 1.304 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3C[C@H](O)CCO3)sc2Cl)OC1(C)C 2282626746 DMENJYCTAUZLKS-GHMZBOCLSA-N 401.721 1.970 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(O)C1CCOCC1 2282832208 LJMANSKQRBNSLC-UHFFFAOYSA-N 403.331 1.915 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NOCC2(F)CCC2)OC1(C)C 2282843808 SNBJQVCHKHXLBB-UHFFFAOYSA-N 406.310 1.686 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H](CN)C3)s2)OC1(C)C 2282850255 MTKGJEJJKRWLCS-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE CC(C)[C@@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854749 VONXLNZHFZDKGN-GXTWGEPZSA-N 401.359 1.997 30 10 HDEE C[C@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858720 BKPZLLFZMKQEOX-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE CO[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869281 ABTXODLBOKDXLC-NHYWBVRUSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCC2(O)CC2)OC1(C)C 2282879176 QDAWGXSPWPQKBK-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](F)C[C@@H]3C(=O)O)c2)OC1(C)C 2284399573 LXRCIGSWECXWBD-WDEREUQCSA-N 405.278 1.233 30 10 HDEE CC[C@@H]1C[C@]1(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400385 ABXGVAKFIAWWAE-QLJPJBMISA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@](C)(C(=O)O)C2)OC1(C)C 2284407609 NEMUSULXCCNZGI-INIZCTEOSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC[C@@H]2CC(=O)O)OC1(C)C 2284413532 LNMQUNDVSHZOQW-ZYHUDNBSSA-N 401.315 1.579 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300230815 OUMBYNTWNJHNJT-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE CC(C)(C#CC(=O)C1(O)CCC(NC(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2339634466 NSEFFUKSFYBHOA-UHFFFAOYSA-N 421.515 1.982 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339652137 WGYDNGXRYYKVJN-NWDGAFQWSA-N 403.526 1.161 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H]1CCS(=O)(=O)C1 2355849842 FCPPMUHXMLLGHO-ILXRZTDVSA-N 402.488 1.230 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363703512 HVGPVRDZUTYBBQ-KSSFIOAISA-N 413.565 1.863 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173350 RBEZCHXTUFXIFM-KSMMKXTCSA-N 401.525 1.779 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203630 UPYVHTNIACGSDI-HRCADAONSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C(F)(F)C1 2365208011 BQMZRRXGUYUEAW-BLLLJJGKSA-N 410.483 1.148 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367789652 DMTLMCGJGRNAAR-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2375202350 XTYNZNXJPJCEGD-RDTXWAMCSA-N 402.513 1.257 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2375783444 BMPABHXSJHPKLL-ACJLOTCBSA-N 404.529 1.808 30 10 HDEE COc1cccc(C(=O)/C=C(\O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 101355697 LZRBSHPJLNXOGA-WQRHYEAKSA-N 418.427 1.783 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)sc2C)CC1 321386742 FRNRWGFBZVCNBF-UHFFFAOYSA-N 422.370 1.428 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCCCNC(=O)c3ccccc3)CC2)c1C#N 460155534 IDYURFJPPCCEEA-UHFFFAOYSA-N 412.519 1.975 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 461314223 OUIXSDSEYFZLMW-UHFFFAOYSA-N 424.523 1.067 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461751740 ZNBQUMIRJZJKRZ-LLVKDONJSA-N 402.461 1.506 30 10 HDEE COc1cc(CNC(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)ccc1C#N 462477048 XODAUVFHRRYAPH-UHFFFAOYSA-N 416.503 1.995 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 466980856 KOXXFPLKSBYRCF-FQEVSTJZSA-N 419.485 1.915 30 10 HDEE CCN1CCN(CC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1 468426928 FZQCFXPUBHTUNH-UHFFFAOYSA-N 409.538 1.321 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(-c4ccccn4)nc3O)CC2)c1C#N 472987518 IHKLUEJFFKNLCE-UHFFFAOYSA-N 403.446 1.725 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)n1 474173088 VEJHWCUTJRMPLN-MOPGFXCFSA-N 409.490 1.043 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)S(=O)(=O)CC2(C#N)CCC2)c1 477557679 KJNBSLXWZNZYAU-UHFFFAOYSA-N 406.468 1.135 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3Cl)CC2)n1 503481102 ZLFZBGRKJLJPJZ-UHFFFAOYSA-N 406.899 1.579 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C)n(CCC#N)n2)CC1 504275734 ZBJXGNNBOQNHEL-UHFFFAOYSA-N 419.511 1.485 30 10 HDEE C=CCCc1ccccc1NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 504284637 RYSHUSNVDFOICO-UHFFFAOYSA-N 401.444 1.999 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCCNC(=O)c2ccccc2)c1 504483357 LTOJYJXRGICFNJ-UHFFFAOYSA-N 401.488 1.701 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OCC)cc2)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 504707020 QMNAXMQXFDUTGE-SRYPRDQNSA-N 423.469 1.823 30 10 HDEE biogenic CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@@H](C#N)C3CC3)CC2=O)cc1 505966592 SNSVCFZMQBAXIU-YJBOKZPZSA-N 418.519 1.488 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 508466566 VCOHVNJTVFIWFB-OAHLLOKOSA-N 403.508 1.884 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 508829646 ZKAHNVPDDMWWKY-QGZVFWFLSA-N 400.527 1.879 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])c(C(=O)N3CCCC3)c2)CC1 510726644 CIGVHCHIOQQOFU-UHFFFAOYSA-N 401.467 1.255 30 10 HDEE COc1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1CO 535707280 IPWVFPCWQIXIKD-QGZVFWFLSA-N 408.414 1.903 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(c4cc(N5CCOCC5)ncn4)CC3)n2c1 536662040 LWCUVSARIZGJDI-UHFFFAOYSA-N 404.478 1.155 30 10 HDEE COCC(=O)Nc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544837199 RIOTUWINIAHMSG-UHFFFAOYSA-N 408.462 1.570 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 553844900 OSQBIKLMIFCXTD-FQEVSTJZSA-N 402.454 1.995 30 10 HDEE CN(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1 561022493 RUXKFFYTBVATGM-SFHVURJKSA-N 409.494 1.799 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)CC1 579787847 CXYCVFRFBSWQLH-UHFFFAOYSA-N 420.452 1.764 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ncc(Br)cn1 582622568 MDIROCBBKCENRK-LLVKDONJSA-N 423.292 1.903 30 10 HDEE C#CCn1nc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2c1=O 585170588 MOOVLTJPENQZAW-UHFFFAOYSA-N 407.426 1.986 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 603799656 RGDVERFADXUICA-GOSISDBHSA-N 423.538 1.523 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccc(Cl)cc3)C2)CC1 604184047 FRBIUFDQNLIKEO-QGZVFWFLSA-N 419.957 1.796 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 611917478 AUALERYBBIFTBT-UHFFFAOYSA-N 416.506 1.769 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(-c2ccncc2)[nH]n1 725898380 MXKRIZYEBMSMNF-UHFFFAOYSA-N 410.459 1.929 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)c(F)c1 729845448 BHBGUXSZLWZLED-SFHVURJKSA-N 412.421 1.874 30 10 HDEE C#CCN1CCC(C(=O)NC[C@@H](CC(C)C)NC(=O)C2CCN(CC#C)CC2)CC1 732114716 PBTITRRYBXETJD-JOCHJYFZSA-N 414.594 1.324 30 10 HDEE CN(C)C(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl 732706155 HGXPGWWYOOFTLF-AWEZNQCLSA-N 403.870 1.179 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 732974692 CIDPMVILXUFUCL-UHFFFAOYSA-N 409.508 1.890 30 10 HDEE C#CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 742213759 NZMRNBFYZJVJSQ-MRXNPFEDSA-N 404.540 1.316 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1C#N 747498810 UECTVVTYAPUXIX-LJQANCHMSA-N 422.441 1.939 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc([N+](=O)[O-])c2)c1=O 748065118 IBERUOAZFCKCSE-UHFFFAOYSA-N 413.455 1.337 30 10 HDEE C#CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 751275083 NICSUDPGROKOAM-NSHDSACASA-N 420.365 1.798 30 10 HDEE C#CCN(C(=O)Nc1ccc(-n2nnnc2C(C)C)c(C)c1)[C@@H]1CCS(=O)(=O)C1 752987078 FXLXCEMLWZKAPC-MRXNPFEDSA-N 416.507 1.748 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 755218735 HWTMCSNJLGBDLU-GFCCVEGCSA-N 402.394 1.084 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)co1 756393171 GBSRMSCMGZNGNS-SECBINFHSA-N 423.472 1.794 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCO1 760506961 NHFAXSBFBCCGQD-BLLLJJGKSA-N 410.496 1.324 30 10 HDEE COc1ccc(CNC(=S)NN=C(CNS(C)(=O)=O)c2ccccc2)cc1 766688048 IXHPYZBVUOINAC-UHFFFAOYSA-N 406.533 1.613 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCC1 771077138 MIMRFLVRQNCADP-MRXNPFEDSA-N 423.491 1.458 30 10 HDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@@H](C#N)C2CC2)C1=O 771472630 BBHUZZXCXLDYHZ-GUYCJALGSA-N 405.252 1.634 30 10 HDEE C#CCN(C(=O)NCc1nnc2ccc(C(F)(F)F)cn12)[C@H]1CCS(=O)(=O)C1 774151761 BZSBCJXYLBFQIU-LBPRGKRZSA-N 415.397 1.080 30 10 HDEE C=CCOc1cccnc1C(=O)OCC(=O)Nc1cc(S(C)(=O)=O)ccc1F 775112175 HMUDUWPZPUXMSB-UHFFFAOYSA-N 408.407 1.985 30 10 HDEE CN(C)S(=O)(=O)c1ccc(COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)o1 780177101 RMRKSNTWIKRSDV-KRWDZBQOSA-N 400.453 1.835 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Br)nn2C)c1=O 782640631 RTBSHJITNKJHAE-UHFFFAOYSA-N 421.320 1.298 30 10 HDEE COc1cnccc1[C@@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 783866558 ANVLOHOMYLGWSJ-CYBMUJFWSA-N 402.476 1.786 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)n1 788820016 MTJCEJOTILTAMQ-UHFFFAOYSA-N 424.910 1.367 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800778668 BQIFKEPLOLRJIR-QGZVFWFLSA-N 412.519 1.711 30 10 HDEE COCCN1CC[C@@H](NC(=O)C(=O)NCc2cccc(-c3ccc(C#N)s3)c2)C1 804896906 BJLADDWFMWMOIP-QGZVFWFLSA-N 412.515 1.740 30 10 HDEE O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O)NC1CC1 914551608 IALYDNPGTXHSEO-HNNXBMFYSA-N 404.467 1.705 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 1126929983 RHPCGNGWMLOZRE-ALCCZGGFSA-N 409.402 1.956 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CC(=O)N(CC4CC4)C3)CC2=O)cc1Cl 1133054775 MFCOPMASIBFDPL-CABCVRRESA-N 400.866 1.692 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1133409712 ZNKDWZQKFUGZJE-ROUUACIJSA-N 401.463 1.940 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OC)ccc1F 1133642837 PLZSPXNNCFHNII-UKRRQHHQSA-N 414.455 1.131 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1136176718 IKMNJKQXGUUQAW-ABSDTBQOSA-N 408.568 1.970 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1141998397 NUGGIECGIOQWFE-QZTJIDSGSA-N 417.506 1.693 30 10 HDEE Cn1nccc1[C@@H]1c2[nH]cnc2CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1143354306 BALQWSQIFPFARJ-HXUWFJFHSA-N 424.486 1.104 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1144612687 GPQYDJGXIDXCKX-GOEBONIOSA-N 403.914 1.317 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(O)(CO)CC1 1146453541 ALOWGGMSQLJLJJ-UHFFFAOYSA-N 413.268 1.444 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1151347401 AKHDGGIUFIWHPS-LADRWXRNSA-N 420.535 1.866 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 1159325253 SSVGYFQSKPDVNV-HNNXBMFYSA-N 409.851 1.861 30 10 HDEE Cn1cc(C[C@H](CO)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1162342199 FWYZEGOIRCJTIL-LSDHHAIUSA-N 401.854 1.018 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1167468414 QVRJUGMURYHLQG-LJQANCHMSA-N 408.587 1.474 30 10 HDEE C=C(C)CN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)Cc1cnn(C(C)C)c1 1170204983 HRUJGOLYLQSHDY-UHFFFAOYSA-N 411.572 1.382 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC[C@@H](C)c2cccc(OC)c2)CC1 1175515123 SFJJSFCDNWNAJP-QGZVFWFLSA-N 407.536 1.581 30 10 HDEE Cc1nc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)no1 1176098275 XZUIPNCBIVOABE-CVEARBPZSA-N 400.508 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)COc3ccccc3C#N)CC2=O)C1 1179999623 CARDLAFENCAWOO-OAHLLOKOSA-N 414.462 1.273 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 1189869575 ZWYCJZBGXHQJLE-UHFFFAOYSA-N 424.457 1.351 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2cccc3c2OCCO3)c1 1195261959 VSZYSYUJKKZQAE-UHFFFAOYSA-N 402.472 1.895 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1228478762 HGVBKBINOBVVTC-UHFFFAOYSA-N 422.507 1.246 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)C[C@H]1CS(=O)(=O)C2 1253682322 MHTUSPGASJCMJZ-OXJNMPFZSA-N 411.487 1.327 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)ccc1F 1273306085 OXDVHBKICHVRSW-AWEZNQCLSA-N 418.512 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCn1ccnn1 1286404058 QAJPQGQZMKVXHS-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C(C)(C)C 1286565225 ZIVCEUWFMRGFOU-BVIKNXMNSA-N 406.527 1.917 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CC(N)=O 1286604643 VSQLMRBLPOXNFQ-CQSZACIVSA-N 401.467 1.967 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1286772302 ATJKZJASNGUZKL-AWEZNQCLSA-N 405.480 1.332 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C 1288614409 FLPXYJRUFHVWBR-PBHICJAKSA-N 402.524 1.390 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1288998691 FALMCJFHRLRJJM-GJZGRUSLSA-N 400.508 1.574 30 10 HDEE N#Cc1csc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 1289333341 ISOHLEYYLWALDI-UHFFFAOYSA-N 415.500 1.492 30 10 HDEE CCc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1293068182 MOAKYAOFHCGCDG-HNENSFHCSA-N 415.542 1.678 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(C)ns3)CC2)c1 1293435164 JWGMDHUUMCBLLM-UHFFFAOYSA-N 404.517 1.606 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1294754119 BLIWWYLKWQAGGL-IKGGRYGDSA-N 408.572 1.650 30 10 HDEE CCOC(=O)CON=C(C(=O)Oc1ccc(NC(=O)C(C)C)cc1)c1cc[nH]n1 1294915195 CLTZWPGMTAVHSK-UHFFFAOYSA-N 402.407 1.894 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1296101746 QTIHKFQFYJZOHC-ZDUSSCGKSA-N 403.788 1.728 30 10 HDEE COC(=O)CCN(CC(OC)OC)C(=O)CSc1nc(C)c(C)c(C)c1C#N 1296244712 KFASJCXKIVNAFP-UHFFFAOYSA-N 409.508 1.981 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1300018906 OBKKEPOFEFSZIF-LJQANCHMSA-N 423.498 1.446 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1300308816 QGKRNVFYOFBBPG-RZQQEMMASA-N 402.520 1.546 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CC[C@]3(CCOC3)O2)c1 1300330536 CDZASWYPTMCEOR-SIKLNZKXSA-N 409.490 1.981 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1300482605 GFUISVJJRAZPEJ-SJLPKXTDSA-N 418.567 1.785 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300495191 FGEPVPGZXYKERR-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(CC)CC 1300578113 HRTLKWPMFRHRSC-SFHVURJKSA-N 405.568 1.375 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CCC2)CC1 1300683736 SBORNCGQDHCBKI-INIZCTEOSA-N 420.583 1.224 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC2CCN(CC)CC2)CC1 1300700731 VECVYJAZTRXPKT-HXUWFJFHSA-N 400.571 1.659 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1300706041 HDXLLMPPHXWOSW-HSZRJFAPSA-N 406.534 1.297 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NCCC)CC1 1300707848 LJDYCEBCZHYOKA-UHFFFAOYSA-N 424.549 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCOCC1 1300813414 JEBSXYHHFJCDGZ-SIKLNZKXSA-N 411.554 1.853 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300881165 MROXMSIGWDIVEQ-INMHGKMJSA-N 418.523 1.340 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1301390462 ICZNZXKCYOAKDI-OAHLLOKOSA-N 406.512 1.683 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1301497384 VEBIMSNPPKRLEF-CZUORRHYSA-N 416.482 1.169 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1302480600 RCHGBVIKWXAPQH-DLBZAZTESA-N 422.555 1.336 30 10 HDEE COC(=O)[C@@H]1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1303162832 ALSYUOQFZFXOHK-CVEARBPZSA-N 413.455 1.243 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NC[C@H]1CCCN(CC#N)C1 1306650467 BZNBNCDFYJFPOA-HZPDHXFCSA-N 407.540 1.331 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1307930200 VBPYRDWPIPFUBZ-AQNXPRMDSA-N 405.454 1.415 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1313096858 GGOBPHDIPCIZGD-GOSISDBHSA-N 407.536 1.693 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)C1 1314260853 DIQYJHYEHBVEAE-OKSICCMJSA-N 412.494 1.447 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1315730606 FGFMGNPOTKZEME-MSOLQXFVSA-N 416.526 1.696 30 10 HDEE C=CCN(C(=O)[C@@H]1COC(=O)N1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1354202640 MXFYYQUPAHRGKX-ZDUSSCGKSA-N 407.473 1.841 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1358870819 UWTGLIRKFGWYIL-LBPRGKRZSA-N 424.431 1.795 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)C(C)(C)C 1358976582 JKLNEYFBCFNBLF-GDLZYMKVSA-N 415.519 1.626 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)[C@H](C)CC)CC1 1359028591 XLQCNVRQGOCEGL-VGSWGCGISA-N 418.586 1.749 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1359034957 HQWGURSXNYZPCK-QZTJIDSGSA-N 402.543 1.232 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(CC)CC 1359064265 OVYOAASWLJBOIM-TXPKVOOTSA-N 410.588 1.611 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COCCO1 1359197499 QXBOWDABAXDCGX-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCC)C1 1359320854 WMJQJFXUWDGJEY-DLBZAZTESA-N 412.494 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCCC1 1359334304 AEPFWLIZIUONRV-UHFFFAOYSA-N 409.537 1.471 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1359342986 JOSSYRVYZFIQEH-OAHLLOKOSA-N 413.569 1.297 30 10 HDEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1443362668 MLZUPMIROYIFBB-JKSUJKDBSA-N 402.813 1.834 30 10 HDEE Cc1cc(CN(C(=O)Cc2noc(C)c2C#N)C2CC2)cc(S(N)(=O)=O)c1C 1452803522 NJEITFAIDJVFJX-UHFFFAOYSA-N 402.476 1.853 30 10 HDEE CNC(=O)C1(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 1455851772 PTOCMHNQYMKGJK-UHFFFAOYSA-N 402.300 1.319 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)cc1 1460132809 CIFAUAAOYHVKCI-HDICACEKSA-N 421.457 1.117 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCCCC1 1460827141 FHXPIGGCHQQFQL-UHFFFAOYSA-N 417.575 1.976 30 10 HDEE Cc1c(NC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)ccc(Br)c1C#N 1461057241 ODKSOJBVPOBSNJ-UHFFFAOYSA-N 424.280 1.712 30 10 HDEE C#CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@@H]1CCCc2ccccc21 1463008820 NGCWFACVQJNZOI-GOSISDBHSA-N 419.485 1.363 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCCNc2ncccc2C#N)CCCOC1 1464502575 BWZKYLJOVVDJCN-HXUWFJFHSA-N 403.483 1.803 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464926657 QUINIRXFVCXOST-QQLHZZDGSA-N 418.494 1.568 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCn2cncn2)CC1 1465398419 XMWABFYBLPHLBD-KRWDZBQOSA-N 406.531 1.672 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 1467700552 SJZBTPRFSMIPLP-KRWDZBQOSA-N 412.943 1.898 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 1469756096 JUQSSFCIGUNSSA-WMZOPIPTSA-N 413.503 1.535 30 10 HDEE C#C[C@H](NC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1)[C@@H]1CCCO1 1469867830 LKHFFTIDXQYIMU-ROUUACIJSA-N 405.520 1.806 30 10 HDEE C=CCOCCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1470174372 YVZNECAZXWSWCM-PKOBYXMFSA-N 410.536 1.643 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1472192006 QJZLYJIUVMOJJY-QAMTZSDWSA-N 409.508 1.030 30 10 HDEE O=C([C@H]1CC(=O)N(Cc2ccccn2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618541 XTIRCMVIVWMQLG-HNNXBMFYSA-N 422.441 1.334 30 10 HDEE O[C@H](CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C[C@]1(O)CCOC1 1473849263 ZXXVCROOJSOAOP-LNFKQOIKSA-N 413.305 1.992 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nn1 1478855484 OTQCTZQUPGOLEH-RISCZKNCSA-N 407.418 1.115 30 10 HDEE CN1C[C@@](C)(Cn2c(CCOc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1503675638 SNIPIJLWTMRJRE-LEWJYISDSA-N 412.469 1.820 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1507520160 XNODNOFZXUWYNV-BXWFABGCSA-N 410.540 1.213 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507893633 KHNIJMAATXJDHR-KRWDZBQOSA-N 418.542 1.314 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1507937638 WVJQDQDHERGORL-UHFFFAOYSA-N 400.527 1.975 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508161256 YSPQSLQKGLCEJU-SOUVJXGZSA-N 404.540 1.205 30 10 HDEE CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1514406062 MEDMLDBBGGHMPW-KRWDZBQOSA-N 407.478 1.154 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1518665457 PKJDRNBRZTZDOI-UHFFFAOYSA-N 409.450 1.518 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1519191221 FPHDZIBOPBTILK-LZJOCLMNSA-N 416.526 1.407 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC1CC1 1519262141 NOINWNMJBZPPEX-OAHLLOKOSA-N 404.515 1.658 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)C2(C#N)CCSCC2)cc1 1520951384 HSRDYWBFYUVIOO-AWEZNQCLSA-N 419.503 1.970 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)cc1 1521095936 TUOLCFCXLNDXAL-ICSRJNTNSA-N 422.489 1.989 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC2)c1 1525356440 GTKKWPFQFDTCTC-OAQYLSRUSA-N 402.495 1.516 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1527363558 VQJRWHIJBHOHQU-LJQANCHMSA-N 412.490 1.910 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)CC2=O)cc1 1536867964 VNEUZVXQLUANLA-AEFFLSMTSA-N 401.488 1.337 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(NC(C)=O)nc1 1539026167 RFBQCRQCMUAAIF-OAHLLOKOSA-N 406.494 1.999 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539111808 AHGACMFNKNPNIL-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1539240019 VJOGFWCYYKEZFG-MRXNPFEDSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1539288873 IKXXFWSKYFMLND-HXUWFJFHSA-N 405.458 1.607 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1539316456 IVJHIWYDHBJERB-QGZVFWFLSA-N 418.515 1.873 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccncc2)CC1 1539460076 VDWOYPYTKCNKFZ-UHFFFAOYSA-N 404.522 1.533 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539758636 PYAIKWWRJLURIK-QZTJIDSGSA-N 419.526 1.377 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539962869 FYOGCUCGUUNNBS-HZPDHXFCSA-N 401.515 1.626 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1540169487 FBIPVQVLANQZLT-PVPMGCCUSA-N 412.581 1.660 30 10 HDEE C=CCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@]1(OCC)CCOC1 1540861497 TZAKGEZADLYPAZ-FQEVSTJZSA-N 415.498 1.241 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)C[C@H]1COc2ccccc2O1 1540871043 BYPPSGGGJUSZBB-HOTGVXAUSA-N 413.478 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)o1 1540871321 JCVUSROAMYJCAS-AWEZNQCLSA-N 407.496 1.020 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540897633 OERZFAPFHWLXLK-OAGGEKHMSA-N 400.545 1.633 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1541087645 YQFNJIUMBVHZPT-KRWDZBQOSA-N 409.494 1.435 30 10 HDEE Cc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543218824 VBEXRHNSYIFMDF-HNENSFHCSA-N 410.482 1.230 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(C(=O)Nc3cc(OC)c(C#N)cc3F)C2)nn1 1563098741 BZGHFSPJTKDSTA-LBPRGKRZSA-N 402.386 1.953 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)Cc2ccc(C(C)C)cc2)CC1 1564367954 FVBFWAFFQJJUFJ-QGZVFWFLSA-N 406.552 1.536 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1565156029 ACPMZGQKMLYYOA-QZTJIDSGSA-N 408.543 1.751 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1 1569560495 JEQXIGTUHIWZLK-HNNXBMFYSA-N 407.423 1.655 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1SC 1570675018 OETRRDFFODXUPV-VYHVBIQSSA-N 411.549 1.529 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1584313234 SUWLACZXQIROIS-MRXNPFEDSA-N 410.430 1.288 30 10 HDEE NC(=O)c1ncn(CC(=O)OCc2c(F)c(F)c(C(F)(F)F)c(F)c2F)n1 1585000830 MXFGZTYHOXAKNG-UHFFFAOYSA-N 400.210 1.696 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccncc1 1587970400 WWFGJPUSDIQOTQ-UHFFFAOYSA-N 409.519 1.945 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1588045089 GVLCFEKXQQWMNG-KRWDZBQOSA-N 417.535 1.782 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1 1588638588 UIOBDDJZCKXGLU-IBGZPJMESA-N 424.505 1.516 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1588836345 HCDUTHFJGYUZJK-HXUWFJFHSA-N 422.533 1.762 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1589216629 TXNKDLNGUFAJOA-HNAYVOBHSA-N 403.508 1.825 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1594943639 VJGKDRFQTFXBPL-OAQYLSRUSA-N 410.478 1.620 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCC1 1597372275 QPJWVPGPEGTOPO-LIRRHRJNSA-N 411.524 1.468 30 10 HDEE CC(=O)CCc1ccc(O[C@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1607490272 VPOZLZXWXNGKPQ-CQSZACIVSA-N 410.430 1.193 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@]3(C2)CC(F)(F)C3(F)F)c1 1611645005 DCANLFIPJJCOHS-AWEZNQCLSA-N 405.373 1.730 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612895146 JMMHEFHFUDPTDX-CHWSQXEVSA-N 422.511 1.405 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CCOC 1613594290 FUKBLYJWKLABMI-MRXNPFEDSA-N 406.531 1.988 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3COC[C@]3(COc3ccc(C#N)cn3)C2)c(C(F)F)n1 1615066838 LPXRYRHMNLUVMK-DJJJIMSYSA-N 403.389 1.792 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)c2cccc(C#N)c2Br)CC1 1616413932 NZRARPPOILXJAW-UHFFFAOYSA-N 407.268 1.131 30 10 HDEE C#C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 1618322626 OLJULHVJZGUHGO-FQEVSTJZSA-N 420.531 1.185 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1nnc2n1CCCCC2 1619967369 BQRLGXAANPAROC-CVEARBPZSA-N 416.530 1.964 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1620054291 HETAYXIUTPQMPD-LJQANCHMSA-N 424.505 1.585 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1620315071 SKOCKAYFSOAYSV-DMIMOZFVSA-N 423.477 1.480 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCO[C@H]2CCOC2)c1 1620348318 RURJQLHXNSGGTK-IBGZPJMESA-N 424.505 1.714 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CCO1 1620354559 HQLIYXXEEMMFEM-OAHLLOKOSA-N 407.409 1.842 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)CC(=O)NCCC2=CCCCC2)CC1 1620610548 WYOXGBBJXAYEMV-FQEVSTJZSA-N 403.571 1.617 30 10 HDEE COC(=O)c1cccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)c1 1620611404 RSPGTGOUQBJZJB-KXBFYZLASA-N 417.512 1.967 30 10 HDEE C=CCN(C(=O)Nc1c(C(=O)OCC)nc2ccccn12)[C@@H]1CCS(=O)(=O)C1 1625769450 RRJLVKJACSZCRJ-CYBMUJFWSA-N 406.464 1.718 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1627264847 IRELSORCKOPRMG-JHENCNDQSA-N 404.467 1.322 30 10 HDEE C[C@@H]1CCC[C@@](C#N)(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1628602048 GBUMVLWYENABEE-QWQRMKEZSA-N 401.529 1.903 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N(CCC#N)CCN1CCOCC1)C(F)F 1631463230 FYYJJJWQCNSKGZ-AWEZNQCLSA-N 404.458 1.609 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1CN(S(C)(=O)=O)C1 1632118830 YWESCYYUDGSPEG-UHFFFAOYSA-N 405.289 1.994 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632875841 XXIZBXUDSWCDAD-GOSISDBHSA-N 417.462 1.552 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1633298499 VCFXJGFQYYIUEW-GFCCVEGCSA-N 408.398 1.432 30 10 HDEE COc1ncc(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)cc1C#N 1634293562 CFTNCFYDNQMQND-UHFFFAOYSA-N 414.365 1.898 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](O)(C(F)F)C1 1637042447 QUTUMJHWUBMZHI-SCLBCKFNSA-N 415.462 1.368 30 10 HDEE CN(C)CCN(C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637215063 RBTDSFGEOUYBTE-WUZYXKQASA-N 421.586 1.773 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1637697825 XTMWIVYZTWZODH-UKRRQHHQSA-N 408.401 1.821 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN2[C@H](CNS2(=O)=O)C1 1639155534 TZOUOAXKEFCMPT-GFCCVEGCSA-N 405.398 1.245 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1640186391 IWMUKAVQEFKEAA-CABCVRRESA-N 408.476 1.481 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1=O 1640769055 OUHZHADDPBONCI-GVDBMIGSSA-N 405.495 1.548 30 10 HDEE C=CCC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1640864514 YPFLQXUPHCHMPF-HOCLYGCPSA-N 402.447 1.825 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)cc1 1643741343 KBFPHVMIKZOINA-QGZVFWFLSA-N 406.504 1.304 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1643861138 AIWQMBYZQOPYNL-QGZVFWFLSA-N 404.536 1.740 30 10 HDEE COC(=O)c1ccccc1CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1645394213 KQNYQUWQLPOEJY-UHFFFAOYSA-N 404.419 1.882 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1646576302 OZXRCVMZWJIONW-AEFFLSMTSA-N 405.520 1.088 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCNS(=O)(=O)c1ccccc1F)C2 1648291553 KMLCAWAWKLQWFW-UHFFFAOYSA-N 408.480 1.594 30 10 HDEE COc1cccc([C@@H](O)CN(Cc2ccccc2)c2[nH]c(=O)n(C)c(=O)c2C#N)c1 1650900982 ARGXCGJUICLIMX-IBGZPJMESA-N 406.442 1.694 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1653312885 OPNMJTMGXDZVEL-CQSZACIVSA-N 402.252 1.754 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CCCOC1 1653336762 HOFMUDMZAIDQBW-ZFWWWQNUSA-N 403.464 1.412 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1654814148 FJTOMVGQDBWNTP-RYQLBKOJSA-N 418.542 1.721 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(C)c1F 1661546148 YHNMBRZCOKHAQW-ZDUSSCGKSA-N 405.469 1.285 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H](O)Cc2ccc(F)cc2)C1 1671494840 GQQPBBQTUUYTDO-UAGQMJEPSA-N 406.458 1.787 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CC1 1671635210 RMRQMLNLNHYXGM-UHFFFAOYSA-N 403.426 1.355 30 10 HDEE C=CCOc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1673783017 STOGUNXWHKOMLQ-SHBDPFAUSA-N 407.492 1.584 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)CC1 1674582534 ZEDYBHAYXAVGLX-HXUWFJFHSA-N 411.506 1.924 30 10 HDEE C[C@@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1cccc(C#N)c1 1675932774 MTAVJHIDKSHUTQ-MRXNPFEDSA-N 407.474 1.693 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC[C@H]2[C@@H](C#N)c2ccccc2)n1 1685411559 JTGOPYHLKPHBFC-GJZGRUSLSA-N 402.480 1.331 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689993173 XFXHTGWFOALQGK-MSOLQXFVSA-N 407.584 1.588 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NC(C)C)CC1 1690144299 TWVKVTXUHKXDDA-KRWDZBQOSA-N 416.526 1.010 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1690669889 RLXCCQDMCAZVET-RDJZCZTQSA-N 402.543 1.979 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1690672619 XVZYXCBNCOCBML-INIZCTEOSA-N 423.525 1.156 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)C1 1690710376 RMWHILMAELIRBR-HNNXBMFYSA-N 406.437 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)CC 1690724678 UHTMSOXFJOIKDK-GJZGRUSLSA-N 418.585 1.263 30 10 HDEE CC(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692413342 PIQNUBUZVQITFD-LBPRGKRZSA-N 419.511 1.079 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1696442814 NBXOKXBFBXMKGO-UHFFFAOYSA-N 410.522 1.890 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1696675861 AQYVUMDXFVDNSD-GUNSETOZSA-N 412.519 1.648 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1698117790 LLNJWJQVZUEYPG-QFBILLFUSA-N 415.494 1.926 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)Cc1ccccc1 1705554626 ZJCQDNJEBPNWLG-UHFFFAOYSA-N 409.515 1.948 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705572869 REWZBEJWDLBOMW-JTSKRJEESA-N 420.473 1.336 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCOC2)CC1 1705634548 ARKKGLHVDVWBBY-NQIIRXRSSA-N 403.527 1.112 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705662690 HMCHYBGFNBHCSU-OAHLLOKOSA-N 410.590 1.920 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(N)=O)C1 1705680616 DFJZONHKVBDILQ-VXGBXAGGSA-N 402.293 1.222 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705688381 QTXPPVFDLMUKKS-WBMJQRKESA-N 412.288 1.722 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1OC 1705709618 BXEIZNCFLICOLN-HRCADAONSA-N 415.560 1.342 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCS(=O)CC1 1705907589 QXAYAVDLYNNIHG-UHFFFAOYSA-N 412.519 1.152 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705939843 OAZIOWKFSROYKP-LJQANCHMSA-N 420.539 1.464 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705947222 FACMIKPOJYVDRM-SFHVURJKSA-N 416.551 1.524 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1706932547 LWVBOFPOFSTHMF-BTYIYWSLSA-N 413.526 1.559 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CC(C)C)CC2)c1C#N 1707807536 CXSNMSMGLSTYSZ-MRXNPFEDSA-N 411.514 1.125 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCO1 1708152661 QJJNJZGWRIQNQV-APWZRJJASA-N 424.505 1.965 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1OC 1708756425 CUSJSVOFGIJAED-DJIMGWMZSA-N 404.515 1.740 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1710201677 LOPMZOHDINGDMT-WMZOPIPTSA-N 414.514 1.792 30 10 HDEE COCCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1712312606 HTTZSYPKVOVQBV-INIZCTEOSA-N 409.556 1.983 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1722294512 HFXSSFRDEBRMFX-CHWSQXEVSA-N 404.521 1.396 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722368865 WSRIXPCTFULEAB-AWEZNQCLSA-N 422.580 1.566 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1722422068 VQYRARZBFIFMEZ-UHFFFAOYSA-N 422.489 1.152 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2=CCCOC2)CC1 1722433501 XJENGAWQJGFHTE-OAQYLSRUSA-N 401.511 1.032 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1722502842 AUDYIGJSFAPZNH-NJAFHUGGSA-N 412.494 1.273 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)C2CC2)CC1 1722697255 YIXMKHWSRMHWKM-UHFFFAOYSA-N 411.510 1.081 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cncn2)C1 1722725019 KLLRWXLMMNAFES-ULQDDVLXSA-N 403.487 1.075 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1729636447 AAIYLJOYLOGMJU-JOCHJYFZSA-N 421.505 1.305 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1740575300 NHFKBARURIDUPE-KRWDZBQOSA-N 400.527 1.970 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740598520 SYHRPGUHFZYNMX-ULQDDVLXSA-N 405.499 1.692 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740628335 PMYWXSZHKVELMH-BRWVUGGUSA-N 424.567 1.817 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1740671896 QXWRVLINNVFXBY-CRAIPNDOSA-N 416.503 1.685 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C2CC2)CC1 1740699583 MMIGEDGGGSVCMB-UHFFFAOYSA-N 422.533 1.447 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1740784079 JFWCVUMEFZGLLR-UHFFFAOYSA-N 409.494 1.388 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740793618 UVMSCENWGTXKLC-GVDBMIGSSA-N 405.499 1.206 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1740840375 XIBKCNJQHVRORS-KRWDZBQOSA-N 411.572 1.902 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1740864470 NMDKOQDQTSRGAN-KRWDZBQOSA-N 409.556 1.595 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCOCC1 1740936574 AHWLMKBAJKNDRE-UHFFFAOYSA-N 400.483 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740957038 ZHYHDGLEQSTOBG-LJQANCHMSA-N 410.522 1.331 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1740957475 PDEAKBRBUKHSRT-UHFFFAOYSA-N 407.478 1.571 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CCO1 1741104234 GNBDMHUBAJEPHH-UIAACRFSSA-N 424.505 1.583 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC(=O)N1C 1743320156 SDUDXEZZLHCXHQ-INIZCTEOSA-N 422.489 1.742 30 10 HDEE C#CCOCCC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1747892192 PZHSBCAWEIFAHO-JRHPMUGDSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1748672632 VWVXCKWDGDPPJY-YESZJQIVSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1748815731 SZOFZMGFOPSUMK-KRWDZBQOSA-N 403.508 1.907 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCCCS(C)(=O)=O)CC1 1748983869 GXYXZZORMDNOTM-UHFFFAOYSA-N 418.567 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCO2)CC1 1749010657 UQHHWHDUCZVJNK-ZWKOTPCHSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@H]2C1 1749023796 WTXMSRCLJYKLJH-HOTGVXAUSA-N 407.540 1.180 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)OCC)CC1 1749032249 ZRJGAHPROISCSU-UHFFFAOYSA-N 400.508 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749655706 PWFXUSWRAYZKOQ-MRXNPFEDSA-N 410.478 1.067 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749727069 MINOZQRSTGEXQY-INIZCTEOSA-N 417.491 1.187 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749738109 FXQAJMFTZKILQU-MRXNPFEDSA-N 409.556 1.326 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N(C)C[C@@H](C)C#N)n1CCNS(C)(=O)=O 1750059806 BWBPUOINHDHMOH-KBPBESRZSA-N 424.502 1.702 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCC(=O)N(C)C)CCOC1 1751006804 KJJHDVKWYBRYLZ-OXQOHEQNSA-N 406.531 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1760103096 YDXSXTNWCBUPAA-MRXNPFEDSA-N 401.536 1.902 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOCC1(C)C 1760168834 RAAPVLJTMNQYCZ-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1760175944 VRCHGFOLQSAMDK-MRXNPFEDSA-N 423.926 1.382 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760183769 DJARETPLCDIOGC-ZWKOTPCHSA-N 418.519 1.233 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCSCC2)CC1 1760262699 XATHZDMEXVORRP-UHFFFAOYSA-N 424.618 1.981 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760531862 CHZFGUIFJIKBCR-QGZVFWFLSA-N 410.478 1.672 30 10 HDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1760560998 MLFIJRPRENRLQG-UHFFFAOYSA-N 403.533 1.971 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760692435 GQOQRLSQTMCUNH-HUUCEWRRSA-N 403.512 1.217 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1761165381 HFYIHWRYONXWTI-OALUTQOASA-N 407.522 1.872 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N(C)C1CC1 1761409708 DLWITEXPYCXZQH-DOTOQJQBSA-N 420.583 1.793 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1764677365 DWLORLILXRWXQV-IBGZPJMESA-N 411.445 1.530 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1766694099 URFOMOJDTMTFGI-YJBOKZPZSA-N 413.544 1.349 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@H]1C 1766986691 HMNYVXZRHUHPRG-HZPDHXFCSA-N 405.510 1.912 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767491161 TVAYNBTVTFGZPW-ZZEZOPTASA-N 420.477 1.550 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCOCC(F)F)c1 1770736210 VWARGMAIBXTLEW-HNNXBMFYSA-N 418.404 1.739 30 10 HDEE COC[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1770776858 PZLLWMDPXHSARU-ZWKOTPCHSA-N 416.551 1.768 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)Cn3nnc4ccccc4c3=O)CC2)n1 1849877332 GSXXEKGXXXQMOE-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 1851397631 VPUXNEITAYKROC-UHFFFAOYSA-N 400.446 1.769 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1F 1853240704 FYBBCQYZSFDBOG-CQSZACIVSA-N 400.501 1.458 30 10 HDEE C=CCN(Cc1ccc(-n2ccnc2)cc1)C(=O)CCCN1CCS(=O)(=O)CC1 1853455479 SJLPNCPYLZXHIC-UHFFFAOYSA-N 416.547 1.898 30 10 HDEE COCC(=NOCC[C@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853549327 SQIRQKRRGSXBDN-OAHLLOKOSA-N 424.523 1.310 30 10 HDEE CC(C)c1ocnc1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854291895 OWBOGTOJMVCCMW-MRXNPFEDSA-N 409.446 1.959 30 10 HDEE C[C@H]1C(=O)N(C(=O)C[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635749 LPSNOFCTHZEJES-HOCLYGCPSA-N 405.476 1.265 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cn3cnc4c3CCCC4)C(=O)C2)C1 1854985958 UGZJVWZBGNAGTR-QZTJIDSGSA-N 412.538 1.199 30 10 HDEE COc1cccc(O[C@@H](C)C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c1 1855028756 FEJRHAJLSAXJCK-IRXDYDNUSA-N 400.479 1.121 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCCN([C@H]4CCOC4)CC3)CCC2=O)cc1 1855278528 WXVVOKYKYYFASF-FPOVZHCZSA-N 410.518 1.734 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855516501 VECPXKCIEZYGGQ-OALUTQOASA-N 400.523 1.778 30 10 HDEE COCC(=O)N1C(=O)[C@H](C)CN(S(=O)(=O)c2ccccc2C#N)c2ccccc21 1856376967 HHERPEMSOZLODE-CQSZACIVSA-N 413.455 1.909 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CC(c4nc(C5CC5)no4)C3)C2=O)cc1 1856786377 ZKXGKVFCEIKYCM-GOSISDBHSA-N 405.458 1.978 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(Cl)c3)C2)CC1=O 1856806038 WSJFGGILXNQLQK-JSGCOSHPSA-N 414.867 1.222 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2conc2C2CC2)C1)[C@@H]1CCN(C)C1=O 1857074469 JUBSHQLWPJMWHE-WMLDXEAASA-N 400.479 1.650 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)C4CCC4)C3)CC2)CC1 1857122296 KMGSOBXZAZJPIM-QGZVFWFLSA-N 400.523 1.636 30 10 HDEE Cc1cnc(N(C)[C@H]2CCN([C@H]3CCN(C(=O)c4cccc(C#N)c4)C3=O)C2)nc1 1857155971 KYKUKTLXWXFUGT-OALUTQOASA-N 404.474 1.609 30 10 HDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)CC2)n1 1857970108 XQZZFXKQPIKKES-UHFFFAOYSA-N 401.492 1.955 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)N2CCN(c3ccccc3)CC2)C1 1858422333 REGMVFSMPXRSEM-IBGZPJMESA-N 424.526 1.918 30 10 HDEE C=CCNC(=O)[C@H](CCCC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861600400 PRTNALGFLSALFK-RDJZCZTQSA-N 415.490 1.803 30 10 HDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(C)CCCC)cc1=O 1870560102 HHIOQFURNRDAPJ-UHFFFAOYSA-N 417.531 1.788 30 10 HDEE C[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccc(C#N)cc1 1873864454 KIKYOVYROOGILS-XIRDDKMYSA-N 405.458 1.876 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCc3cnc[nH]3)ncnc21 1875230064 NIEXKCSPSURWME-UHFFFAOYSA-N 422.493 1.333 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1 1890075330 CSZUTDPLLGOWOA-UHFFFAOYSA-N 424.486 1.402 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1985101589 UZORZBUIWNVXLU-AYDFFVQHSA-N 410.320 1.813 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985172315 FKJSLAQEFNBNGH-IBGZPJMESA-N 415.538 1.679 30 10 HDEE CC1(C)OB(C=C2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)OC1(C)C 2172354027 BAHYXMOJHQKYMX-UHFFFAOYSA-N 405.347 1.157 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)NC1CCC1 2186600870 XNFKKZDKARPFDC-LLVKDONJSA-N 401.363 1.822 30 10 HDEE CN1CCC(CNC(=O)OC(C)(C)C)(NS(=O)(=O)CC2(C#N)CCC2)CC1 2187390988 ASQBBAGKMBALAD-UHFFFAOYSA-N 400.545 1.589 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N(CC#N)CCC(F)(F)F)C1 2197778444 QIPGBRZCYGHZOI-NSHDSACASA-N 413.418 1.325 30 10 HDEE CC1(C)OB(c2csc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)c2)OC1(C)C 2197933675 DNATWTWZNMCGGT-LBPRGKRZSA-N 400.331 1.034 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243386493 BFBBYUDBGLRMFQ-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2247823141 MGZXZCBKQZLIOE-OCCSQVGLSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCCN2C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247930231 IJZRRZBLMUHRAQ-UHFFFAOYSA-N 420.315 1.860 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248416435 SASKSSOJOSLCGP-CQSZACIVSA-N 421.303 1.859 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2255647775 DATBZRVVYZDZTE-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2255647776 DATBZRVVYZDZTE-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE C#CC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258159573 XLUSSSRTIXJLIT-KRWDZBQOSA-N 408.476 1.129 30 10 HDEE COC[C@H](CF)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703905 DQONOMFUNRQJQY-VIFPVBQESA-N 413.729 1.964 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281822188 JAYICWCVORCHQM-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281968874 ZWXJXOOCGJDCJT-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCCC[C@@H]3N)c2)OC1(C)C 2282341912 ZMHJYFRRMZZYRS-UONOGXRCSA-N 400.375 1.986 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282343391 PQKCUTLNJWXPDU-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCCC[C@H]2C2OCCO2)OC1(C)C 2282347581 ZXFGJVQIBQCLJD-INIZCTEOSA-N 423.340 1.902 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CN 2282347739 BSPJBABEZBEONB-STQMWFEESA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H](F)C[C@@H](F)C2)OC1(C)C 2282509027 FCNOBBUQOYDBSN-PHIMTYICSA-N 408.301 1.654 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840849 PZYOJYVYVVUTJM-SSINHNECSA-N 422.403 1.019 30 10 HDEE CC1(C)[C@@H](N)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282847749 DJWUVTXUNGEWFI-AAEUAGOBSA-N 400.375 1.699 30 10 HDEE CC1(C)CCNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848551 OSWZEVZTEPFXSD-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H](CN)C3)s2)OC1(C)C 2282848866 SWJABPQVKVAAHV-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](C)S(C)(=O)=O 2282854984 YARZNEATADWZDU-WDEREUQCSA-N 423.387 1.147 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)CS[C@H]3CCS(=O)(=O)C3)s2)OC1(C)C 2284020507 MSXMSRRWCIOPST-JTQLQIEISA-N 418.371 1.301 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CC(CC(=O)O)C2)OC1(C)C 2284410104 REITVFYQKNYSCN-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CCC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413755 NGNARQDIRFHLDW-GFCCVEGCSA-N 403.331 1.720 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccs1 2296621143 BMEDSSZKFPFCGQ-KRWDZBQOSA-N 416.503 1.842 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)C(=O)OC(C)(C)C 2300231224 URYFTKUFMLTWGZ-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2338487513 OUQUEIJVHREVQG-WOIUINJBSA-N 402.491 1.593 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 2342036454 DLBWDNKEYXPGQS-CABCVRRESA-N 402.582 1.755 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CS)C(=O)O)C[C@@H](P(C)(C)=O)C1 2344169595 QKAHUPXCUNAKQU-IJLUTSLNSA-N 408.457 1.734 30 10 HDEE CC[C@]1(C)[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2361993831 YWKSTIMNUBEDSK-YVEFUNNKSA-N 401.359 1.971 30 10 HDEE CC1(C)CC=C(B2OC(C)(C)C(C)(C)O2)CN1S(=O)(=O)C1CS(=O)(=O)C1 2362502299 CFQIDFMXGDFUQV-UHFFFAOYSA-N 405.347 1.155 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(COC)C=CCN1C(=O)OC(C)(C)C 2365196971 RNLRUTLRZQDZAY-KXBFYZLASA-N 400.541 1.593 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C 2365201502 JDFXEYNEXVYVEM-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365203357 SGSLCKYBXUSUDA-FZKCQIBNSA-N 400.541 1.555 30 10 HDEE COc1[nH]c(=NCc2c(Br)cnn2C)ccc1B1OC(C)(C)C(C)(C)O1 2365344010 IEHCQJJNEOVCSP-UHFFFAOYSA-N 423.120 1.919 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](CO)C(C)C 2367030194 PAFYMZMCBGAWGF-CYBMUJFWSA-N 403.375 1.993 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367801651 VARGPKRGLSYJMW-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)C2COCCOC2)OC1(C)C 2369898035 SYOCNCGLSSIDJP-UHFFFAOYSA-N 401.721 1.980 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CON=C(N)c2ccc(Br)cc2)C1 15244 RRKXIOQEINREJL-ZDUSSCGKSA-N 412.284 1.888 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc([N+](=O)[O-])c1 109033910 CFGMRGIDGIBQAK-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE CC[C@@H](/C(N)=N/O)N1CCN(C(=O)c2csc(I)c2)CC1 124458674 QMTAMHABJHYFGJ-JTQLQIEISA-N 422.292 1.636 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254705332 DOEPLKHAOBWGLS-ZIAGYGMSSA-N 410.473 1.355 30 10 HDEE CC(C)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)c(F)c1 302024563 JTSBVXJPLGUJLW-DLBZAZTESA-N 403.433 1.870 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C1 409471201 NBJURZYZTPHPCO-LSDHHAIUSA-N 416.507 1.448 30 10 HDEE Cn1cc(Br)cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1=O 435194693 VJYIIGYHUAPAQK-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 441203755 UGJCWJRRCXJMCH-WQPHWPKUSA-N 419.522 1.731 30 10 HDEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443337437 SSBUBJUKQXRRKR-LADRWXRNSA-N 412.490 1.989 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1-c1ccccc1)CCCC2)Cc1nnnn1C 466495820 NVTYOTJOJBNIHY-UHFFFAOYSA-N 404.478 1.822 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(Br)cn2)CC1 475248748 SUXLFEYKVJGDDO-CYBMUJFWSA-N 410.316 1.535 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 487390318 KBANWYMELJAVBN-UWVGGRQHSA-N 421.397 1.312 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)n(C)n1 490344938 KQSYTUIQOPNTKE-MSOLQXFVSA-N 409.494 1.827 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CC(N)=O)Cc3ccccc3)C2=O)cc1 505513706 GPQCXZRJZOMHNM-SFHVURJKSA-N 419.441 1.277 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(Br)c3)n2C)CC1 507960488 DVBGPYNQBKPJCI-UHFFFAOYSA-N 419.327 1.669 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3cccc(OC)c3)C2)CC1 524515176 JXCLGFFYGVYHAT-GOSISDBHSA-N 415.538 1.151 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)NCCOc3ccc(C#N)cc3)C2)nc1 542414118 NWFHHZFRFCZXSZ-UHFFFAOYSA-N 409.446 1.697 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)cc1 546876386 ANJPNLJZYJIHBN-INIZCTEOSA-N 405.458 1.664 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N(CC(=O)O)Cc1cccc(C#N)c1 548248911 TZIGVVWNAKTKNJ-UHFFFAOYSA-N 402.428 1.929 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)C2)c(F)c1 553239089 YVESCYLQRFPTAX-OAHLLOKOSA-N 409.421 1.377 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCOC2)CC1 555453315 JXWILBXZJSCSPT-LJQANCHMSA-N 424.549 1.714 30 10 HDEE COC(=O)C[C@@H](NC(=O)C(=O)Nc1ccc(C#N)cn1)c1ccc(OC)cc1OC 556159328 DRRHWPNWVNYRFZ-OAHLLOKOSA-N 412.402 1.330 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)NC)CC1 558990051 IXEKRLQBFOBFBT-UHFFFAOYSA-N 400.483 2.000 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 558999499 YMPUTICWKCHQNU-OAHLLOKOSA-N 402.524 1.367 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCC2CCN(CC(F)(F)F)CC2)c(F)c1 586862078 JAYZLKASRHZRMS-UHFFFAOYSA-N 400.376 1.704 30 10 HDEE Cc1nc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)sc1C 586862259 PLEUTXPHADMEFV-UHFFFAOYSA-N 401.467 1.736 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCCNC(=O)c3cccc(O)c3)cc2C1=O 588218737 AQKDMCATIPOXOL-UHFFFAOYSA-N 407.426 1.724 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](CC)N2CCc3ccccc3C2)CC1 604170949 HHYASGWQZUSTPM-NRFANRHFSA-N 413.566 1.453 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)s1 610270455 WFXMMNINTGSLJA-UHFFFAOYSA-N 424.479 1.841 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 614904205 DRAVJPHHCRLTKG-KRWDZBQOSA-N 412.511 1.826 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619228333 JZEUBEMGWCDHLX-HNNXBMFYSA-N 403.442 1.595 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1 679525300 INJIJDXCRKEXRA-UHFFFAOYSA-N 409.508 1.365 30 10 HDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 733198594 ZMFNNBMNOMHCEM-ZFWWWQNUSA-N 411.549 1.886 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 733200376 DNYHGWXZVZXUDV-BXUZGUMPSA-N 415.512 1.717 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 735177870 GSXTULBJXISWGB-QVNLTAIFSA-N 420.491 1.230 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(Br)ccc2OC)CC1 742066620 DJMVWGCJPBZTSL-UHFFFAOYSA-N 422.323 1.284 30 10 HDEE CCc1cnc(N2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)s1 742128927 OEVYVYPEILWBKC-UHFFFAOYSA-N 419.532 1.093 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)C1 748184518 PLJJKVNHSIQDFZ-GOSISDBHSA-N 416.478 1.169 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc(N(C)C)nc1 752434884 LOHPMYVGVHLWQQ-HNNXBMFYSA-N 416.507 1.635 30 10 HDEE C#CCN(C(=O)CCCCNC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 760429755 RYGNNSKPXIVLSY-SFHVURJKSA-N 406.504 1.732 30 10 HDEE C#CCN(C(=O)c1cc(I)ccc1C)[C@@H]1CCS(=O)(=O)C1 763293898 JSDNMYCVRVTCIY-CYBMUJFWSA-N 417.268 1.862 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccn(C)c2)c1=O 763437794 QYMJEVDLDISBFZ-UHFFFAOYSA-N 420.538 1.821 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@H]2CCc3n[nH]cc3C2)c1 764021054 VZVKIVFUKQCAMO-JTQLQIEISA-N 409.265 1.654 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CCS(=O)(=O)C1 774187305 LXAPEHHTDLJOQY-LPHOPBHVSA-N 404.488 1.741 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccccc2C#N)[C@@H](C)O)cc1C 777291460 SMAXQJSECAJHDF-BEFAXECRSA-N 402.472 1.946 30 10 HDEE COc1ccc([C@H](CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)NC(C)=O)cc1 782100271 WSGKCRPKDUVDMP-KRWDZBQOSA-N 409.402 1.626 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2NS(=O)(=O)CC)n1 790106110 RGXJEIQQXVYICQ-UHFFFAOYSA-N 404.492 1.567 30 10 HDEE C=CC[C@]1(C(=O)N(C)C[C@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 790744773 AGIAILZIKMVPJT-LAUBAEHRSA-N 411.543 1.484 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)cc1Cl 795829571 NCDOWRDIYBHSLG-NSHDSACASA-N 401.847 1.627 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 807109686 KNNGKOLZZFSLRK-HRCADAONSA-N 407.515 1.836 30 10 HDEE C[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H]1CN(C)CCO1 807249801 HUFJUTPIJWIPQX-KBXCAEBGSA-N 412.515 1.738 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)n1 807609073 IPMJCOCGNKHNSS-KRWDZBQOSA-N 415.519 1.511 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809807776 SEGYZLSVSCVGJF-CQSZACIVSA-N 420.491 1.135 30 10 HDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C)[C@H]1CCS(=O)(=O)C1 809832851 TVTJIRVVVMLXPU-AWEZNQCLSA-N 409.309 1.871 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)c1 810164289 CIVSVFMFDVUQJF-XFJHAZTOSA-N 416.507 1.902 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1ccc(COc2ccccc2C#N)o1 811136222 CKYVLLHZVKKABO-UHFFFAOYSA-N 420.443 1.989 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC)[C@@H]1CCS(=O)(=O)C1 812035827 ZZKSKHNGKGYVRA-OAHLLOKOSA-N 404.492 1.512 30 10 HDEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccc(F)cc1 812748089 IYOACTLNERDIKX-KRWDZBQOSA-N 416.430 1.721 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 816753246 CRXGBRPKBNLAAO-HNNXBMFYSA-N 415.899 1.237 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(C)nn2)no1 904810652 WYACQYMFMPIFGH-GFCCVEGCSA-N 401.452 1.691 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)s1 917769006 XWJMAZLZTUVIPC-ZDUSSCGKSA-N 417.556 1.972 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cn1 1084129849 GYGGSMYZQBZEBL-UHFFFAOYSA-N 406.501 1.403 30 10 HDEE N#CC1=c2oc(=O)c(=Cc3cccc(F)c3)n2-c2oc(N)nc2[C@H]1c1cccc(F)c1 1084265626 MXRGFFPKWMEUQO-KRWDZBQOSA-N 418.359 1.927 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(-n3ccnc3)nn2)c1 1125488958 HRARENRRLMYCGN-UHFFFAOYSA-N 416.441 1.149 30 10 HDEE Cc1c(C(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cnn1CCC#N 1128921517 IVMRAKKVCFIHMP-UHFFFAOYSA-N 401.492 1.554 30 10 HDEE CCn1cc(C(=O)N[C@@H](C#N)CO)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1140740147 ZYNLMKWXWUBCOR-ZDUSSCGKSA-N 417.897 1.041 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1147283683 OUISHXCWTNSTKD-UHFFFAOYSA-N 423.517 1.812 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC([C@@H](F)C(N)=O)CC3)CC2=O)cc1Cl 1150162990 IDHCLPOVAJVGGW-SUMWQHHRSA-N 406.845 1.627 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 1166753052 XRNWYBBSMMZQPB-OAHLLOKOSA-N 404.492 1.543 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 1199058430 BQMHZHWDIFDLAM-NRFANRHFSA-N 411.462 1.707 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnn1CCc1ccccc1 1208473598 KPNFEGXGJNOEQA-KRWDZBQOSA-N 409.533 1.490 30 10 HDEE Cn1cc(CNC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 1268932070 DSCWYRQAMWCJLL-INIZCTEOSA-N 401.492 1.247 30 10 HDEE C#CCN(C(=O)[C@@H](C)CCCOC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1286054033 GPTYKELORYCRHF-MLYQTUFZSA-N 402.535 1.925 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286324079 OAJPMCZMJPHRDA-MRXNPFEDSA-N 409.556 1.446 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCOCC1 1286466978 PAWSDWONFGIQBP-MRXNPFEDSA-N 418.567 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1286494193 SNEARGYXHLQPQC-BPQIPLTHSA-N 401.511 1.173 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286553677 QKIRUFUKGPLUGK-AITUJVMLSA-N 405.543 1.935 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(Cn2ccnn2)CC1 1286608215 ZXPPIUQTTNMTPM-UHFFFAOYSA-N 409.498 1.836 30 10 HDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC)c1ccccc1 1286616683 AXPWVHGBTOFELH-KRWDZBQOSA-N 405.524 1.781 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1c(C)noc1C 1286726057 AJAFJKDLCZGKTI-INIZCTEOSA-N 424.527 1.081 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCOC2=O)C1 1286811633 GLEMSEUQCAHVHI-SFHVURJKSA-N 412.494 1.888 30 10 HDEE C=CCCC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1288347964 SKWBOGLGZPPZOJ-OQPDCJGNSA-N 403.523 1.380 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(N)=O)c2)C1 1288974405 DQQXIAFZEMAJEV-QFIPXVFZSA-N 421.505 1.791 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@H]1C 1295982323 DMRQKFWBWIFZIV-CVEARBPZSA-N 405.510 1.912 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1296603909 APOVROGDLAYGNW-OALUTQOASA-N 408.478 1.241 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3ccc(C#N)nc3)CC2)cc1 1298845748 DSKJCOGQRMNTKW-UHFFFAOYSA-N 418.500 1.574 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1300305499 WDTQAGLHNMKXDH-SPLOXXLWSA-N 408.462 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300488388 RHXYHUBNLMXHMF-HZPDHXFCSA-N 420.510 1.993 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1300649793 OTXMZYGWOHMCAX-INIZCTEOSA-N 418.494 1.484 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCN1CCc2ccccc2C1 1300650583 UMLQPBCPIOGVDF-UHFFFAOYSA-N 424.549 1.561 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCC 1300664111 OHCDACBEQIOJGR-HXUWFJFHSA-N 403.483 1.643 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300855824 IFLZQESQUYLICZ-CEXWTWQISA-N 424.505 1.570 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@H]1C 1301422700 UTAHJYQHJDOTLM-XOBRGWDASA-N 419.482 1.185 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CC(N)=O)C1 1301508730 SCQGXLALQGFSBS-CQSZACIVSA-N 402.524 1.324 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(C)cn2)C1 1301535289 KLCYAHMESYGZNS-KRWDZBQOSA-N 422.493 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCCOCC1 1301593119 IQJBYUUNLONQDD-UHFFFAOYSA-N 420.535 1.993 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301609573 LHGQMNSAIWTLBW-JKSUJKDBSA-N 401.540 1.325 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)[C@@H](O)C3CCCCC3)ccc2c1=O 1301842235 QUNKFEQOMGDATO-ROUUACIJSA-N 417.531 1.903 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(OC)nc1OC 1306154025 ULDGVSUNBIORFR-UHFFFAOYSA-N 421.461 1.836 30 10 HDEE CN(C)CCOc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1F 1306854278 DOPSEXUKQARPDL-UHFFFAOYSA-N 420.466 1.555 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315911660 NFPVSQOVRRJXJN-UDJKBAMHSA-N 423.477 1.339 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC2(O)CCCCC2)cc1 1316533774 DEVSVDDRZTZEHY-KRWDZBQOSA-N 424.505 1.736 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1323594251 BLCLMIAQFBKNHR-MORSLUCNSA-N 400.497 1.101 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1358908662 FXRSSQPQJHDLRD-UHFFFAOYSA-N 419.533 1.830 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCC(F)F 1358948770 LBRXGUDMJXRIPQ-UHFFFAOYSA-N 405.453 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccccc1)OC 1358992405 KRAIWQYUQZHXHL-WOJBJXKFSA-N 405.502 1.950 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1359010164 IOLBKDFWGGYCEW-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1snnc1C 1359018848 DPJYFUYAOVVYMW-SFHVURJKSA-N 406.512 1.224 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(F)(F)Br 1359022836 OBTRHEDWMGKYNC-UHFFFAOYSA-N 401.215 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=C)C)CC1 1359044016 RLDLBTLAKXRXKI-UHFFFAOYSA-N 410.478 1.548 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(OC)C1 1359128776 FTNQFEIHDAXEBJ-UHFFFAOYSA-N 410.482 1.739 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1359230217 KAGPTMMTRVIQQD-NEWSRXKRSA-N 421.542 1.652 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1359286316 INOAYQGATGIGBM-UHFFFAOYSA-N 410.526 1.492 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359299321 BQSRBRUJXGNOPH-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2cc(CO)nn2)C1 1359318526 GXTNCRULTIEWGS-GOSISDBHSA-N 424.509 1.604 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(N)=O)c2)C1 1359319398 YJWLBGWONUJCFP-GOSISDBHSA-N 407.478 1.607 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CCO1 1359448757 WCDMBQJZVORKBP-KRWDZBQOSA-N 407.434 1.194 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1360338328 BOLVBRLCGYVRPS-SLFFLAALSA-N 420.489 1.239 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1360784597 IBSQTIGFNIAHDL-MAUKXSAKSA-N 407.540 1.615 30 10 HDEE C#Cc1ccc(C(=O)N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)cn1 1450720330 DMLNGVGEAXAMQZ-UHFFFAOYSA-N 417.512 1.684 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)c(=O)nc1O 1453840660 FKEUGZBXPJWRHS-UONOGXRCSA-N 403.236 1.503 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)cc21 1456535287 SRIYPKPTUQKDMT-QGZVFWFLSA-N 409.421 1.974 30 10 HDEE C#CCN(CC1CC1)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1459776257 NTTAYROKNOFJDI-MRXNPFEDSA-N 405.520 1.380 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1462162615 JIBXMXWACSYAJJ-YWZLYKJASA-N 403.435 1.086 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1464180946 RYWIMWYXEYGIEG-AWEZNQCLSA-N 403.460 1.659 30 10 HDEE COCCCN(C(=O)C#CC(C)(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1464367747 LUACGFINEVTWFQ-UHFFFAOYSA-N 412.490 1.998 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)C1 1466376985 DNOHKKFIHKHXLH-CQSZACIVSA-N 400.522 1.311 30 10 HDEE CN(C)C[C@]1(O)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1467711400 MWRIAZQVLPCUSC-XNFWNMDTSA-N 420.554 1.688 30 10 HDEE C#CCCN(CCOC)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1470460999 NKHQNWXPKNWTMY-UHFFFAOYSA-N 415.494 1.908 30 10 HDEE COC(=O)[C@@H]1[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1(F)F 1471625251 WMAOEXAVIDPLTB-GMXABZIVSA-N 411.792 1.735 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)C1 1471833033 NZPHGPHDYLLJDD-FUHWJXTLSA-N 409.577 1.300 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2cc(C#N)c(Br)cn2)C1 1472773920 OGOPNEXDXNGLEP-CYBMUJFWSA-N 417.329 1.593 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1475363124 BGMPLIAJECAGJM-GOSISDBHSA-N 419.547 1.984 30 10 HDEE CCO[C@H]1COCC[C@@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478413011 DBYGMZJWWCCODE-ICSRJNTNSA-N 424.505 1.974 30 10 HDEE Cn1cc(I)c(CNC(=O)NCC#C[C@H]2CCCCO2)n1 1478629041 VMGOHZBRRBOTOK-LLVKDONJSA-N 402.236 1.396 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1504579973 GIKMYQKAYFXMME-JKSUJKDBSA-N 417.466 1.352 30 10 HDEE COCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1504788280 LPVCDCGSHREVAS-CJNGLKHVSA-N 402.496 1.147 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1504965653 PCGSTXRNYCNGQB-WRWLIDTKSA-N 422.505 1.703 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCOCC1 1507538900 XWPOJUBBRHWBJK-ZDUSSCGKSA-N 402.524 1.374 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(=O)(=O)CC 1507604168 HHARHAWRHJAQDO-UHFFFAOYSA-N 412.519 1.810 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC2(O)CCOCC2)CC1 1507727259 IARFZZZJUGZBOZ-UHFFFAOYSA-N 415.563 1.617 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccc(C)n2)CC1 1507732789 KXGOEJIZWSRAGY-FPOVZHCZSA-N 424.549 1.703 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(=C)CC1 1507775912 ZJCNIXNCUDUTNC-LBPRGKRZSA-N 404.334 1.953 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507876622 OGGWTVXBFWYWFS-SFHVURJKSA-N 400.527 1.929 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)OC)CC1 1507884633 KQELHTFWBLFCQK-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O 1508139709 IUGSTZIYVPLNMY-UHFFFAOYSA-N 414.491 1.678 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](COC)OC 1513697277 DWXMMWLIZNWELB-ZWKOTPCHSA-N 415.494 1.810 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCOC(F)F)c1 1521083170 TYDYGVAWTATIOE-OAHLLOKOSA-N 417.420 1.660 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1524134015 UDSWYOQKIROZQM-YOEHRIQHSA-N 409.464 1.409 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 1528572141 WULIPSXPHVXWBM-SFHVURJKSA-N 400.475 1.951 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](C)(C#N)C3)CC2)o1 1533646051 VEGSFQJNRQJWEN-LJQANCHMSA-N 423.491 1.619 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C1CCN(C)CC1 1536123069 JCNFCHFZTIMZLO-UHFFFAOYSA-N 411.549 1.273 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1536221349 WIWSNKRHFUPLNK-OXQOHEQNSA-N 412.531 1.379 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1538974126 RBANVUWCSGNIKL-GRDNDAEWSA-N 423.514 1.873 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1539029920 MHDHVIUWXDPGBV-KRWDZBQOSA-N 422.489 1.436 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)ccc2N2CCC(C)CC2)C1=O 1539062522 DCRQQJCAGIBSKE-UHFFFAOYSA-N 402.426 1.977 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1539359494 IOYCIGFVZJCYSI-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1539417196 YTOBUOHGALYISG-IBGZPJMESA-N 421.505 1.805 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccs1 1539497485 MVEKOOKXEQGRKM-CYBMUJFWSA-N 413.594 1.953 30 10 HDEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N1CCOCC1 1539948678 RJSVMUZBOIUNKD-UHFFFAOYSA-N 418.542 1.556 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1540081285 XLTCPTYNRYDADH-UHFFFAOYSA-N 412.519 1.865 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cccc(F)c2F)CC1 1540875572 QDJZIQMYEAMMRP-UHFFFAOYSA-N 420.464 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1540903668 GSTJFZGVMQNZHM-OAHLLOKOSA-N 408.528 1.592 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1541801982 ICJPGLFFVSTEKO-CQSZACIVSA-N 409.494 1.547 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)cc1 1544166432 CDWYUPFGWNAOJE-UHFFFAOYSA-N 421.413 1.541 30 10 HDEE C[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCC(F)(F)F 1544936966 JNENYKCAMGUBHY-LBPRGKRZSA-N 405.417 1.820 30 10 HDEE Cc1ccc(C(=O)N(CCO)[C@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1546240762 DSXHCSIFCVDTCC-MRXNPFEDSA-N 401.488 1.993 30 10 HDEE COC[C@@]1(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 1546286696 NXTWLHBTOSQEQD-LAUBAEHRSA-N 424.542 1.331 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1547351127 CGUPYXBPEGFNKS-QGZVFWFLSA-N 417.535 1.991 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2ccncn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367640 BSVWNDDRDFWMQZ-MRXNPFEDSA-N 418.379 1.444 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554689469 YSRVDKHSSZKULD-TXSJJRPESA-N 400.483 1.687 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)C1 1555983704 ABBXFKPRQOFPCU-LJQANCHMSA-N 413.413 1.821 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1 1556603846 PZAFTWKRXLTZTO-SFHVURJKSA-N 418.461 1.094 30 10 HDEE COc1cccnc1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1557039633 CHQOVYYLZKVIJG-OAHLLOKOSA-N 416.503 1.860 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1557917797 QFDGHFOISYUJSV-HXUWFJFHSA-N 414.487 1.735 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1559056658 RFMOSMGMQVKTHC-GJZGRUSLSA-N 400.483 1.675 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)NCCn3cnc(C#N)n3)C2)O1 1564723716 FQPBHZAPKQHYBX-UTKZUKDTSA-N 409.494 1.225 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 1565815191 ZFJNEAHJLOCKAR-UHFFFAOYSA-N 406.280 1.342 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)cc1 1584314675 BOVMXNYNUSOBAB-SJORKVTESA-N 408.549 1.188 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587799165 ZWCXUEPFIXUKGW-GOSISDBHSA-N 423.521 1.754 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1588138236 AOBXEJZRRZDMNJ-SFHVURJKSA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1nccn1C(F)F 1588660292 UKGQFDUFVHTILQ-UHFFFAOYSA-N 401.421 1.990 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](C)N(C)C)CC1 1588849000 UPPMWYQCBUWEDZ-GOSISDBHSA-N 406.538 1.222 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCC2=O)CC1 1594807298 KSGVFKLYFBXUDD-UHFFFAOYSA-N 411.510 1.919 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1603666416 YVPGFNGKBNYQAI-AEFFLSMTSA-N 418.469 1.479 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1611314187 HYKSOHLJZXXPFJ-HOTGVXAUSA-N 402.524 1.827 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncn(C)n2)cc1C 1612144384 GTCKSWPSFPXQRC-KRWDZBQOSA-N 408.466 1.380 30 10 HDEE C=CCOC[C@H](NCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 1621285495 BANBHVFNSQZNML-SFHVURJKSA-N 412.446 1.050 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1 1624918618 FVKOGUXEQXHBQL-UHFFFAOYSA-N 418.494 1.566 30 10 HDEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1627137374 XEIYOBUQUOTPSP-LKFCYVNXSA-N 403.338 1.624 30 10 HDEE Cc1ccc(C(=O)NCc2ccnc(OCC3CC3)c2)cc1S(=O)(=O)NCC#N 1628207235 ULLSDMYICQETTL-UHFFFAOYSA-N 414.487 1.911 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(CC#N)CC2)C1=O 1628350511 ABDSAAIHZBQAOX-QFIPXVFZSA-N 405.458 1.275 30 10 HDEE Cn1nc(C(=O)N2CCN(C(=O)CC#N)CC2)c(Br)c1C(F)(F)F 1630034528 PTFPGUFSLVSZGN-UHFFFAOYSA-N 408.178 1.399 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 1632966791 YMNVBMRRGRQCJL-HZPDHXFCSA-N 416.330 1.709 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2C[C@@H](F)C[C@H]2C1 1636203058 OSQVZKFXHKLWAS-HOTGVXAUSA-N 422.526 1.540 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)c(=O)nc1O 1637515437 UONVCABBZRPNGK-UKRRQHHQSA-N 420.347 1.386 30 10 HDEE COc1ccc([C@@H](NC(=O)NCC#CCO)c2cccc(S(C)(=O)=O)c2)cc1 1637898571 GVOIKVXPOUFGMO-LJQANCHMSA-N 402.472 1.483 30 10 HDEE CN1CC[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1638602352 LXJDFJVHQFOTLZ-HNNXBMFYSA-N 420.535 1.270 30 10 HDEE N#Cc1ccc(CNC(=O)CSc2nnc(C[C@@H]3CCS(=O)(=O)C3)o2)cc1 1640790515 AMAKBUIYLOZWCK-AWEZNQCLSA-N 406.489 1.327 30 10 HDEE C=C[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1641133391 XZONTFLXYUKJKQ-RBSFLKMASA-N 402.520 1.999 30 10 HDEE C=CCNc1ncc(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)s1 1642454539 JNLPCWGWBNGVGQ-CYBMUJFWSA-N 401.558 1.426 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)c1 1642643451 QPMDYTGLKLSSEQ-GOSISDBHSA-N 411.527 1.945 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1 1642709385 SASGZHVQCSURFV-INIZCTEOSA-N 417.514 1.395 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1643925391 CHNMZRSOPQNRSO-CABCVRRESA-N 405.451 1.432 30 10 HDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 1644608930 DBAWGPBYTBUWTE-VQTJNVASSA-N 415.534 1.978 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1644664783 YUNJQHZAGQSUHI-OAHLLOKOSA-N 400.570 1.853 30 10 HDEE N#C[C@@]12CN(C[C@H](O)c3ccc(F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1648415851 QHGNQKUEAKSUJF-CQDKDKBSSA-N 403.273 1.492 30 10 HDEE C[C@@](O)(CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1F 1648416347 YGIUUHFNAXVNFL-XZJROXQQSA-N 417.300 1.666 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCC(=O)CCC(=O)c3cccs3)C2)c(=O)nc1O 1648786872 BOESUFPBVAJRLI-UHFFFAOYSA-N 414.443 1.278 30 10 HDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(CCS(=O)(=O)c1ccc(C#N)cc1)C2 1654183938 IEFSGKCJYQLETP-JXFKEZNVSA-N 406.504 1.622 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1655612255 ALFHZZWNCJZFDF-LBPRGKRZSA-N 415.313 1.745 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 1667412193 CDEZWYARYYOJMM-UHFFFAOYSA-N 418.540 1.941 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CC(=O)N(CC3CC3)C2)cc1 1667956659 POBJVECPIWIHKD-INIZCTEOSA-N 406.508 1.626 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1673759599 IFHWZOHCRJGSSB-INIZCTEOSA-N 408.524 1.173 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CCOCC1 1681649817 OHCBKJAFBWMMCF-KRWDZBQOSA-N 409.483 1.593 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1690018230 YBRHUVOSQKCHQF-IBGZPJMESA-N 416.522 1.457 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(-n2cncn2)nc1 1690108116 PTYJNUFZEDYMTR-QGZVFWFLSA-N 408.466 1.240 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)N(C)C)CC1 1690114964 MSPWLILDDWFQEW-KRWDZBQOSA-N 412.538 1.668 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690175524 ZAFCYZMWSHGBBW-USXIJHARSA-N 424.592 1.550 30 10 HDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1690289481 BOCPPTABZYQEDA-UHFFFAOYSA-N 418.492 1.933 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690308503 PWMIESKDBAZBGO-MRXNPFEDSA-N 422.555 1.632 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690359270 XHHRPDAQQGFXOW-QAPCUYQASA-N 400.907 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)OC(C)(C)C1 1690669387 CQZMQGGMYTZMMQ-ZDUSSCGKSA-N 416.482 1.312 30 10 HDEE CCS(=O)(=O)NCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1696500655 YRTHHGFIFQQXKC-INIZCTEOSA-N 423.587 1.082 30 10 HDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1696805637 PQNVWUZGHZFANP-UHFFFAOYSA-N 420.477 1.991 30 10 HDEE COc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)cc1 1697488742 XAKPALOFTWYDNZ-UHFFFAOYSA-N 422.445 1.657 30 10 HDEE COCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1697978021 BTRGTOAGKHKHDJ-AWEZNQCLSA-N 404.496 1.425 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C[C@H]1OC 1698288054 CSSFTROWFCZDJU-GBESFXJTSA-N 413.478 1.472 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1705486475 FYNFOZJOQNCIMR-OAHLLOKOSA-N 413.503 1.214 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1705559697 FCMBYDTYDSQCCC-DLBZAZTESA-N 407.584 1.687 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1705583064 PKFHEHSJTGRFNG-JOCHJYFZSA-N 419.529 1.735 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1 1705590079 AYBHFUZBGYTKPI-UGKGYDQZSA-N 415.538 1.114 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2cccc(C)c2)CC1 1705632367 NSMFWALOKCNTBA-IBGZPJMESA-N 424.549 1.947 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(COC)CCC2)CC1 1705632377 OBPHFRXBKSUTDV-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705740767 WIGFYLZFTOBGLH-OXQOHEQNSA-N 407.515 1.225 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705818066 ZLGWNZBDLUBGFH-IRXDYDNUSA-N 411.572 1.904 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705903420 VFXWWTJQEGNDRG-KRWDZBQOSA-N 412.494 1.557 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1706681305 XSDWCLLWPOIRND-WIYYLYMNSA-N 420.558 1.778 30 10 HDEE Cc1cccnc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1707688244 GFJYZALBPNTCDT-UWJYYQICSA-N 412.494 1.799 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@H](C(F)(F)F)O1 1708199900 FAQCALYYQQHMTL-DDTOSNHZSA-N 424.383 1.898 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(C(N)=O)CCCC1 1709141826 GYRRTYHJDFHYHM-HNNXBMFYSA-N 423.525 1.263 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1710310141 KOXFHRPWKYAWIP-CYBMUJFWSA-N 415.498 1.906 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](OC)[C@H](C)CC)CCOC1 1710482321 DGIXLAKDZRLWBH-WOCWXWTJSA-N 407.515 1.720 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncn(C)n1 1711681498 FSEZHRLKWNJMOL-CYBMUJFWSA-N 414.857 1.513 30 10 HDEE COC[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1712149858 HDYRFZVSMMLDBT-HOTGVXAUSA-N 423.420 1.937 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCN(C)C1 1712458936 CICZBAYUEZXQAD-LJQANCHMSA-N 404.540 1.363 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@@H]2COCCO2)cc1 1712881654 CNSIEMNXTJZUPI-QGZVFWFLSA-N 401.492 1.697 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1722279597 UCRZLPPVMCOVAY-YNEHKIRRSA-N 403.599 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(N(C)C)cc1 1722369858 BFNMVSQIBXDHNI-UHFFFAOYSA-N 404.518 1.896 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc2n1CCCCC2 1722386894 AEUGUYQYPPKPQL-UHFFFAOYSA-N 420.521 1.343 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1722702911 SZNNGZTUCBHASE-MSOLQXFVSA-N 413.526 1.447 30 10 HDEE COc1ccc(OCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1730204391 FSXKEHOABXQREQ-IBGZPJMESA-N 423.477 1.885 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)CC1 1740825719 SJXORFMYUGZLIM-HNNXBMFYSA-N 409.556 1.499 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1740899010 CTMFDPJZQSSHPN-SFHVURJKSA-N 403.552 1.912 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)noc2C)C1 1740982654 VPMXSFVCBKNFOV-CVEARBPZSA-N 421.523 1.615 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1741477246 XLPFTRVPKCYVLD-UHFFFAOYSA-N 413.526 1.469 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1748719289 WITGTMPVIXLJFE-KRWDZBQOSA-N 405.506 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1748855650 GCOLQHWNMAQUSU-UHFFFAOYSA-N 422.518 1.104 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1748891042 YXOBUHCYEODEOZ-LEWJYISDSA-N 412.582 1.519 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1OC 1748935486 UZCRRFIEAIZQTN-UHFFFAOYSA-N 410.526 1.952 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCOC[C@@H]2C)n1 1748971139 DVVZYMNQWBDZGN-ZWKOTPCHSA-N 400.527 1.996 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC[C@@H]2C)CC1 1749001314 PSWIPHGFRSLUQI-FUHWJXTLSA-N 414.554 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2csc(COC)n2)CC1 1749010345 QKSVPHAKBYWRTG-UHFFFAOYSA-N 414.535 1.773 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccn(C)n1 1749067763 WPAKTGMBVCEBLI-HNAYVOBHSA-N 402.524 1.149 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCOCC2)C1 1749706964 SHNZVBIPNPCGAY-MRXNPFEDSA-N 400.483 1.303 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760156034 RKZJAVIIFNRKTF-UHFFFAOYSA-N 418.505 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCSC2)CC1 1760268024 AQVPKTUVJQZNOQ-HNNXBMFYSA-N 411.535 1.454 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1760348943 SEPOHJGCXXVXQU-KRWDZBQOSA-N 404.515 1.212 30 10 HDEE C[C@@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1761418078 AKOMTTVBFLTIBV-DOTOQJQBSA-N 402.524 1.380 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CCO1 1767706677 ABOQADBVCRUYNM-SFHVURJKSA-N 422.445 1.418 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1768518992 XEFOWKBGFHIJAJ-MOPGFXCFSA-N 423.521 1.110 30 10 HDEE COCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769666092 PDCDBVCHMCGYQR-UHFFFAOYSA-N 419.493 1.755 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1771183711 RYDSKVNGFAVANQ-NHWLHPCLSA-N 418.498 1.375 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1850012539 HMWXLOARAXQQPY-HXUWFJFHSA-N 421.538 1.974 30 10 HDEE N#Cc1cc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)ccn1 1850319331 MJSKBRZGTOEUJM-UHFFFAOYSA-N 402.458 1.689 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)cn1 1850809765 GFDHMORTPLYOJQ-GOSISDBHSA-N 422.407 1.860 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CC2(C(F)(F)F)OCCO2)CC1 1851193538 AKNZVZRHLDUWKA-UHFFFAOYSA-N 414.384 1.314 30 10 HDEE CN1CCN(c2nc(NC(=O)CCCn3ccccc3=O)c(C#N)cc2C#N)CC1 1851293774 YRTZLHUNYZRRDC-UHFFFAOYSA-N 405.462 1.157 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3cc(C(F)(F)F)ncn3)CC1)OCO2 1852418154 DWCZKEXSKZYVCE-UHFFFAOYSA-N 419.363 1.987 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nc(-c3ncccn3)no2)cc1 1852831979 MJYIWLZHWSQEFE-SFHVURJKSA-N 422.445 1.695 30 10 HDEE COc1ncc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(C)n1 1852959087 NLBSNUUIFCCAHC-GOSISDBHSA-N 412.446 1.602 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@H]1C 1854256354 MXTDYWADMRYMBB-QAPCUYQASA-N 423.510 1.614 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3nc4ccc(F)cc4s3)CC2)CC1=O 1854348186 SZHYYHPBJCITDS-CYBMUJFWSA-N 401.467 1.846 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4cccnc4)CC3)CC2=O)CC1=O 1855116003 RAWOCNRXUXXXDE-WOJBJXKFSA-N 410.518 1.703 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1855162263 DDTUJWWYZIFBGU-INIZCTEOSA-N 409.552 1.218 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855597041 VAFMYKDYSOYNCX-JKSUJKDBSA-N 402.520 1.382 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)C1 1856070142 VTPDUBIXFXNZCO-UHFFFAOYSA-N 404.492 1.059 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1856150178 IIUOZDAXYOPTSW-OAHLLOKOSA-N 416.913 1.567 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C(=O)C1 1856386741 KXAGEENWZUSQQF-DZGCQCFKSA-N 406.870 1.879 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)C1(C)C 1856720678 XKLQLQCOOJWTST-HZPDHXFCSA-N 422.526 1.764 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)C[C@H]4CCOC4)C3=O)CC2)n1 1856976671 VJRUASDTCGRMAI-MJGOQNOKSA-N 412.490 1.598 30 10 HDEE CC[C@H](C)C(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127557 RZNMZINMGFJCPP-WMZOPIPTSA-N 402.539 1.882 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)(C)C1=O 1857297900 URRNNJAGMXFHHK-UHFFFAOYSA-N 422.503 1.952 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CC(F)(F)OC(F)(F)C3)CCC2=O)CC1=O 1857349762 LOCQOYAYPWFCGY-OLZOCXBDSA-N 421.391 1.304 30 10 HDEE C=CCNC1=C(c2ccc(F)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863506675 HHYKQDQIAQJMNR-UHFFFAOYSA-N 415.446 1.529 30 10 HDEE COc1cc2[nH]c(C(=O)N(CCC#N)[C@H](C)C(=O)O)cc(=O)c2c(OC)c1OC 1866547043 ZLKXPJAZVWDGFZ-SNVBAGLBSA-N 403.391 1.383 30 10 HDEE COc1ccc(Br)cc1/C=N/n1c(S)nnc(CCC(=O)O)c1=O 1873498219 WDJQYQXFMIFWCC-FRKPEAEDSA-N 413.253 1.598 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC[C@@H](Oc3cc(C#N)ccn3)C1)CS2 1889358537 KTBFIISXUDJSBJ-JKSUJKDBSA-N 411.487 1.844 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)C1 2118161408 BPHIMGPMADAQHZ-QZTJIDSGSA-N 422.507 1.094 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2118163052 NNQPTNCDODDCGS-NDHGSNPTSA-N 400.482 1.407 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)O 2151777143 XCRAUFWYEDNABB-LBPRGKRZSA-N 417.871 1.858 30 10 HDEE C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186640085 YKJOKMPMWLARKB-QWRGUYRKSA-N 400.331 1.054 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CO1 2243393130 NEIRHYUKONLTBP-GFCCVEGCSA-N 408.260 1.860 30 10 HDEE C[C@H](CN(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247780900 GSECAPZSTUIZIS-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE Cc1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2247818128 SWDVUHSPYJILEN-UHFFFAOYSA-N 416.205 1.638 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247823839 SKMSKLQGPZZBTA-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247824264 WMPQAQGQDNRVIP-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE CC(C)(CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247857446 UVQAUBUAEXPUSS-UHFFFAOYSA-N 420.319 1.809 30 10 HDEE N#CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258175262 LHDHLSATKYAKDT-VXGBXAGGSA-N 423.369 1.130 30 10 HDEE N#Cc1nc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cs1 2258705973 QDIOSCPKSIHBTC-AWEZNQCLSA-N 423.472 1.699 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@]4(N)C3)cc2Cl)OC1(C)C 2267706860 GZOSLHYHKXVDQE-VFZGTOFNSA-N 404.750 1.422 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1csnn1 2267726598 CFZAJFQEFYHVRQ-VIFPVBQESA-N 401.344 1.938 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@@H]3CO)sc2Cl)OC1(C)C 2281963361 KPYIFTMCGJAUHC-JQWIXIFHSA-N 401.721 1.828 30 10 HDEE CCc1nc(C(=O)N[C@@H](C)[C@H](CO)SC)c(B2OC(C)(C)C(C)(C)O2)s1 2282031588 UYUUBELEDSNUJA-QWRGUYRKSA-N 400.375 1.847 30 10 HDEE Cn1cnc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)c1 2282305905 FRFVOPRZYMEGIU-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCC3CNC3)cc2Cl)OC1(C)C 2282311811 NHQHOCAXIKBRHE-UHFFFAOYSA-N 420.793 1.979 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC[C@H]1F 2282314680 CXWPRYAJRAPJPU-NEPJUHHUSA-N 404.338 1.334 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC2CC(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315403 NGUIZSCMPQTIAY-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4COC[C@H]4C3)cc2Cl)OC1(C)C 2282316559 FBTQPFINDNRQTJ-PHIMTYICSA-N 419.761 1.968 30 10 HDEE C[C@@H]1C[C@@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334198 YLMVQZFBLARFMA-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282340291 DIFIRBUNDJIZSI-INIZCTEOSA-N 402.347 1.226 30 10 HDEE CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341062 NDAVAXZPINMTBW-LLVKDONJSA-N 402.347 1.192 30 10 HDEE C[C@@H](CCO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282506119 NNXJPNIACRNSOC-LBPRGKRZSA-N 403.737 1.936 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](CCO)C1 2282837695 WSLQZNOGOKKIPG-CYBMUJFWSA-N 401.359 1.749 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282844343 BXDWMNHIYCARMX-LLVKDONJSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(CCN)CC3)s2)OC1(C)C 2282852743 SYNPZAXCSVGLHA-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE CC1(C)OB(C=CCNC(=O)c2nc(S(C)(=O)=O)ncc2Cl)OC1(C)C 2284021190 VLTIZXHXNDQXCY-UHFFFAOYSA-N 401.681 1.451 30 10 HDEE CC[C@H]1C[C@@]1(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400380 ABXGVAKFIAWWAE-QFYYESIMSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CC(=O)O)CC2CC2)OC1(C)C 2284410494 UNZBZUHTKLEEFY-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE COc1cccc(C=CC(=O)[C@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 2328107008 QTJYIVDLVCVHCH-PZJWPPBQSA-N 421.497 1.944 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1C#N 2330588658 NUNRGDOJXMRMJV-YTQUADARSA-N 412.471 1.950 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC1(F)F 2361790180 KMSAAIHLQOGSSG-DOMZBBRYSA-N 408.471 1.701 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367785844 GMABEHLSGOWFSI-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788864 BRVMJHXRCFMEIN-UGSOOPFHSA-N 401.481 1.342 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367847713 HIRCNGZUGOUMOH-AAEUAGOBSA-N 407.435 1.142 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)C[C@@H]1CCCCS1(=O)=O 2368847847 SPOFQEJLQXVBKC-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE CO[C@H](C#C[C@@H](N)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369567099 AQARXJHOHDJLEC-ZACQAIPSSA-N 400.541 1.460 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2375784292 IMWZZLLOEWVNJW-SUNYJGFJSA-N 402.513 1.514 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)cc1 9333963 WPASIPQSBBJACJ-UHFFFAOYSA-N 401.444 1.717 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)n1cnc2sc(C(=O)O)c(C)c2c1=O 16893781 DJDDXHKEIRBVPH-SNVBAGLBSA-N 400.420 1.660 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C=C4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@]43C 56874324 SNMPZKRDNBYWNT-WFIBXBHZSA-N 406.475 1.377 30 10 HDEE in-vitro N#Cc1c(F)cccc1NCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 58297332 BJBVQVHQYWXGFJ-UHFFFAOYSA-N 418.450 1.234 30 10 HDEE CNC(=O)[C@H]1/C(=N/Nc2ccc(Cl)cc2)C(=O)N(C2CCCCC2)[C@H]1C(=O)NC 105710367 YXOXXOSSIXLEPJ-SQCIDRPUSA-N 419.913 1.760 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)CC2=O)c1 238814524 BDAZCFOHBBYGRB-QAPCUYQASA-N 421.457 1.780 30 10 HDEE Cc1cc(C)cc(-n2nnn([C@H]3CC(=NNC(N)=S)[C@H]4OC[C@H]3O4)c2=S)c1 254517002 FFLINNROFJNWBV-MJBXVCDLSA-N 405.509 1.291 30 10 HDEE CN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409478056 ZBHRUDZRRATIIA-KCXAZCMYSA-N 402.879 1.283 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(S(C)(=O)=O)cc1 430258097 BKPVZDCJFVTUOS-WOJBJXKFSA-N 423.535 1.512 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 434056047 CGHYDALFYDHKFJ-NJZAAPMLSA-N 419.425 1.387 30 10 HDEE CCC1(CC)CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC[S@@]1=O 469878599 CINGRHVKOIMLLK-RXBISOJRSA-N 411.549 1.375 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cn(-c3ccccc3)nc2C(C)C)C1=O 470698047 CFCAOHHBROZVDW-UHFFFAOYSA-N 409.446 1.589 30 10 HDEE Cc1cc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(C)c1O 470896905 JALVNTBACHLHFB-OAHLLOKOSA-N 401.488 1.906 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(COC)(C(=O)OCC)CC3)cc2C1=O 478487023 GRCADIAXWHQWSF-UHFFFAOYSA-N 414.458 1.901 30 10 HDEE C=C(C)CN(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 479210502 CZIFZLKABDZJBN-UHFFFAOYSA-N 403.298 1.837 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c(F)c1 481055674 SECOBHVKGMPUKA-UHFFFAOYSA-N 422.526 1.594 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)CC1 481976992 LXRSXFSRXWRTNG-UHFFFAOYSA-N 416.507 1.665 30 10 HDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)[C@@H](C)C2)cc1 489177035 DKCDUCDJBHONAB-AWEZNQCLSA-N 414.487 1.948 30 10 HDEE Cc1ccncc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 500648561 CICHWSZESAHDNM-MRXNPFEDSA-N 413.503 1.277 30 10 HDEE N#Cc1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 501404927 HKHGNPTYFSOOMC-CQSZACIVSA-N 412.899 1.870 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1ccn(C)n1 506867472 WAMXZEZUCYJYAP-MRXNPFEDSA-N 401.448 1.684 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 541873558 VPMVHXYCAPFYDC-PMACEKPBSA-N 400.435 1.941 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCN(CCOC)C(=O)C1 579041890 BRBYTFASALAWKA-UHFFFAOYSA-N 413.478 1.587 30 10 HDEE CCOC(=O)N1CCC(N(CC#N)S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 586175082 KPOHGZREEMWEGT-UHFFFAOYSA-N 411.480 1.839 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC(C)(C)C#N 589199779 NOXFKZAAXLXAOA-UHFFFAOYSA-N 408.524 1.301 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C 603800029 PPWJULVXOJQYIE-UHFFFAOYSA-N 402.479 1.408 30 10 HDEE Cn1nnnc1CCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 611333463 DORKUCZMGGOFNP-UHFFFAOYSA-N 421.486 1.785 30 10 HDEE C#CC[C@H](O)CNS(=O)(=O)c1c(N)cc(Br)cc1Br 717888221 RKCOQESFPHYHTI-QMMMGPOBSA-N 412.103 1.456 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2sccc2C)sc(=Cc2ccoc2)c1=O 727414922 DVIFPBJEVMIFTF-UHFFFAOYSA-N 400.481 1.905 30 10 HDEE N#Cc1ccc(NCCNC(=O)N2CCN(Cc3nccn3C(F)F)CC2)nc1 728743943 HQSXIQZGEIDESA-UHFFFAOYSA-N 404.425 1.484 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 729810068 SFGDVZDIUQMQFL-DLBZAZTESA-N 409.508 1.333 30 10 HDEE C[C@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 731731766 MDOORWUMRJVVOA-JTQLQIEISA-N 413.521 1.697 30 10 HDEE C[C@@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C[C@@H](C)O1 732707345 YFKIZWUSSFMDCN-JFIYKMOQSA-N 411.506 1.437 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12 753467110 KSHRIHWVYFJIDD-UHFFFAOYSA-N 417.443 1.323 30 10 HDEE CCc1c(C(=O)OCc2ccc(OC)c(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754344736 RPPUMZMEESQNON-UHFFFAOYSA-N 408.414 1.432 30 10 HDEE CN1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(F)c(F)c1 765311757 PWUVUZXWTNIEGF-SQMUXHPUSA-N 404.417 1.743 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2cccc(O)c2)C1 766784233 IPOBNAZHFGICKB-KRWDZBQOSA-N 415.471 1.421 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1ncn2nccc2c1=O 769722058 LSARWTVORMYQCI-UHFFFAOYSA-N 404.180 1.139 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(NC(C)=O)c(F)cc1F)c1cc[nH]n1 772152185 QVLZNWIIRPCXBI-UHFFFAOYSA-N 409.349 1.569 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774168439 YAAUBWZZNMIWFW-PMACEKPBSA-N 419.547 1.200 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 781384409 CICUEYDTAFWCHT-QZQOTICOSA-N 409.421 1.813 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)CC(F)(F)C2)cc1 787402662 HHCXWESVCADBSI-QQJFDMGQSA-N 416.450 1.733 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN(C(C)=O)CC3)cc1C#N 790242203 PYNFEKCVPVFFCE-UHFFFAOYSA-N 413.499 1.992 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)[C@@H](C#N)c2nccc3ccccc23)n(C)c1=O 792101975 CWAZKAOKRMHRSS-OAHLLOKOSA-N 402.414 1.248 30 10 HDEE COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)c1 796687375 OEOKNLISUWXOSR-UHFFFAOYSA-N 413.333 1.877 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)C(C)(C)c1cc(F)cc(C#N)c1 796989690 NPJZKCOSNAQUJA-HNNXBMFYSA-N 411.455 1.363 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 803596190 DFTKDKNLTJSZCX-LXIYXOSZSA-N 413.471 1.479 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 804161492 RKGRVIBKSIIBDS-INIZCTEOSA-N 404.442 1.733 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 807923999 XAXJXSWBVTZVEZ-HDICACEKSA-N 421.457 1.163 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2cnn(C)n2)C1=O 807933501 BVEDNYZWPYQBCF-HNNXBMFYSA-N 415.479 1.041 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 809890253 YFKXATKMBOQFCB-OAGGEKHMSA-N 423.514 1.623 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCc2ccccc2S(C)(=O)=O)c1 810941912 MJRBKZJDUHUUJQ-UHFFFAOYSA-N 409.485 1.911 30 10 HDEE COc1cc(CNC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1C#N 812541985 LZJVXPZADSDSEU-JKSUJKDBSA-N 404.467 1.594 30 10 HDEE C#C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)c1ccc(F)cc1 812888165 SFSHBKMBGNLKLH-LJQANCHMSA-N 419.478 1.924 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Cl)c4nonc34)CC2)n1 814389199 FDFSEUXTCABKTC-UHFFFAOYSA-N 404.839 1.654 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nc1 858059309 LZOBZHLUXAFFCZ-DOTOQJQBSA-N 414.487 1.608 30 10 HDEE COCCOCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 920360335 WZZNHCKQZMJUOP-KRWDZBQOSA-N 416.503 1.821 30 10 HDEE C=CCCOCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1130902508 URMGVYKGVLIDII-TZMCWYRMSA-N 408.417 1.959 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cs1)C(N)=O 1135889349 DLIVTBFXYKJFKM-GFCCVEGCSA-N 416.532 1.267 30 10 HDEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1136107704 OKCCXVKNQPIWLD-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1140141428 GUDQRARGMZWRHR-OAHLLOKOSA-N 405.455 1.070 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(N)c1 1141255282 GGINDKHBQCEOSG-UHFFFAOYSA-N 402.451 1.645 30 10 HDEE C=C(C)CONC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1144639961 JCRFGRNMJLFEEB-IBGZPJMESA-N 400.472 1.958 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CSC1 1146874482 SHUAMGIYEWDURU-UHFFFAOYSA-N 402.335 1.941 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1152646295 XBNQVUWTSMEZEI-KRWDZBQOSA-N 419.453 1.725 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1154541941 VPDQXEPIPUANDZ-BTYIYWSLSA-N 413.499 1.527 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1155940110 UNONYWARHWQOJI-UHFFFAOYSA-N 401.488 1.918 30 10 HDEE Cn1nccc1[C@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1156567238 WDKPKVYLJDIFCS-FUHWJXTLSA-N 406.446 1.860 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)NCCOC)c2)cc1 1158448546 ZGDVBTGEDPEPDM-UHFFFAOYSA-N 402.472 1.553 30 10 HDEE C#CC[C@@H](CO)NC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1 1160147387 VCYQEKQETNVLIQ-VIFPVBQESA-N 412.265 1.794 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCC2(CS(C)(=O)=O)CC2)c1 1166484177 HTASBQMZLUPXIN-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ncc(Br)cc2Cl)CC1 1168911292 XRIXYDNWGJYQKQ-UHFFFAOYSA-N 407.721 1.083 30 10 HDEE C[C@H](CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)NS(=O)(=O)c1cccnc1Cl 1175022617 ZFVLSRYHNRXXEF-WBMJQRKESA-N 418.906 1.947 30 10 HDEE N#CC[C@@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(F)(F)F 1178329817 CNQNOJCKBKZCJA-UONOGXRCSA-N 409.368 1.497 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 1195755972 AUBUEUWWBWBQLM-MRXNPFEDSA-N 403.552 1.725 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(Cc2ccco2)c1C 1197021019 MPLOFAZSALESDU-CALCHBBNSA-N 409.446 1.103 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)C1 1213680000 JUHWOECSDPJKQI-AWEZNQCLSA-N 417.528 1.352 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCc1ccc(Br)cc1N1CCOCC1 1223655450 OKFQTUHUXPMJND-INIZCTEOSA-N 410.312 1.859 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1)C1CCOCC1 1231333416 XWHNQCQWPAHPLO-FQEVSTJZSA-N 414.550 1.887 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1251248871 UNJJFNNNJQLQJG-UXHICEINSA-N 400.523 1.917 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 1251504493 GHGCHXOGJAVVFS-RHSMWYFYSA-N 422.457 1.620 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CC[C@@H](OCC=C)C3)c2)C1 1254564182 CQPDKDFSJTXTGP-CVEARBPZSA-N 409.508 1.397 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 1255078698 DFFXCDBEOCPOBD-UHFFFAOYSA-N 408.300 1.306 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1286362597 ZNDFELIRNCIFJB-OAHLLOKOSA-N 402.524 1.475 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCOC2)CC1 1286492223 DVYPFPDPOBMPTA-WMZOPIPTSA-N 401.511 1.174 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1286607583 IKGCEOLPKVLUQC-SQNIBIBYSA-N 424.567 1.921 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1286706547 PPSDTEZAUFOMJZ-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CC1 1287203500 LFWSHLFCCFVWJR-NDEPHWFRSA-N 400.508 1.848 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)CC1 1292889591 HCXYXVWRUXNSGR-NTMALXAHSA-N 415.490 1.532 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1293691804 YLBKBIQXZUJMAX-UHFFFAOYSA-N 407.514 1.933 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)OCC)C2)s1 1295351289 ACTXROXVVRBVKS-CYBMUJFWSA-N 400.522 1.557 30 10 HDEE CCOC(Cn1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1)OCC 1296166321 GBNRZUATGYGSKI-GDBMZVCRSA-N 421.498 1.771 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298076479 MSDZBIITBWASMS-HKUYNNGSSA-N 415.586 1.936 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)[C@@H]1[C@H]2CCC[C@H]21 1298134844 VPJJNARUIDTWIT-PIIMJCKOSA-N 414.535 1.943 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](C(N)=O)c3ccccn3)C2)C1 1298370423 BQLBVDXSNMDLEI-ZKEMRMIHSA-N 413.478 1.511 30 10 HDEE Cn1cnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)n1 1298866966 UDQBPHOOBQMESZ-GFCCVEGCSA-N 400.393 1.053 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1300315344 VSSINWCAZRYUGI-ICSRJNTNSA-N 421.549 1.821 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1 1300320584 GMXVVCARJTUZQZ-MRXNPFEDSA-N 402.520 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)OC 1300657935 VKWLVIJFXSBOAU-OAHLLOKOSA-N 406.508 1.470 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2([S@@](C)=O)CC2)CC1 1300703307 FYQYBJJPOLAYBY-HHHXNRCGSA-N 403.577 1.597 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)COCCO1 1300786160 DNOVNUOSTFIINK-HKBOAZHASA-N 404.511 1.728 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1301021690 YIODFIMHIWUHCM-OAQYLSRUSA-N 403.284 1.698 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301186907 LKTXTNCELCVOHR-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1301383819 MWUJEHRRQDBUJY-BZSNNMDCSA-N 402.543 1.907 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(CC(=O)NCC)CC1 1301531706 UPHPIVMTQIHSJQ-UHFFFAOYSA-N 412.538 1.712 30 10 HDEE COCCOCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1302206562 BHQPNEDRTBPDFT-LJQANCHMSA-N 408.478 1.399 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1302450834 WNYYQHGSQYCUBD-CVEARBPZSA-N 411.528 1.463 30 10 HDEE CC(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1303078078 BJCMNNAHJBHDJO-KRWDZBQOSA-N 424.571 1.787 30 10 HDEE COC(=O)C1(C2(O)CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CCC1 1308133845 BRNNNBKDZRGWGS-HNNXBMFYSA-N 403.504 1.895 30 10 HDEE CN(C)CC#CCNC(=O)NCc1c(Br)cncc1Br 1312735463 HYHZMSDNBKFKKE-UHFFFAOYSA-N 404.106 1.971 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccc(N=c4cc[nH]cc4)cc3)C[C@H]1CS(=O)(=O)C2 1313084768 MHTUSPGASJCMJZ-JXFKEZNVSA-N 411.487 1.327 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1313491630 HEKVGVFRUUMUOJ-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE CCN1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1313902489 YXVSYTDLXZHTRF-SJORKVTESA-N 401.540 1.847 30 10 HDEE CN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1314678928 XYCSJNHADLPJEI-FBMGVBCBSA-N 422.449 1.050 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)cc1 1316533161 FYOWZORLCUGFJB-IBGZPJMESA-N 407.478 1.553 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1320126105 HIANKEWBAGAQTD-UHFFFAOYSA-N 412.427 1.592 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)C1 1320888132 HWGWHSTXHXDXAQ-OAHLLOKOSA-N 408.499 1.542 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 1321793012 RWQDWVCMKBLLQB-ZDUSSCGKSA-N 405.879 1.744 30 10 HDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1335182568 KKJSVXPNXHPXAV-OWBHPGMISA-N 400.361 1.107 30 10 HDEE COCCNC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1352505311 BWOOLIIAFHJZSO-UHFFFAOYSA-N 408.296 1.864 30 10 HDEE CCOC(=O)c1c(NC(=O)CC2(CS(C)(=O)=O)CC2)c(C#N)cn1CCOC 1353663641 GRVHEVLOBWTIKO-UHFFFAOYSA-N 411.480 1.336 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1358910200 HNXDHMAGASSGES-MRXNPFEDSA-N 422.497 1.014 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1358921056 NWBFEGPENXSCSR-ZBFHGGJFSA-N 404.471 1.685 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1358938029 OYCSHULDEVPPMO-UHFFFAOYSA-N 409.475 1.486 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](OC)c2ccccc2)CC1 1359035141 LZQHJSHDABRXKN-RTBURBONSA-N 408.506 1.372 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCOC(C)(C)C1 1359055823 QGOSISQRGCYWSH-UHFFFAOYSA-N 403.508 1.987 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359056188 ZYJDQBNAKSEBGQ-UHFFFAOYSA-N 401.540 1.926 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359141990 YBLPPVORIFWENO-TZMCWYRMSA-N 413.906 1.309 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359296316 FHULGBMLMUTIFX-ZHRRBRCNSA-N 422.489 1.503 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCO1 1360820481 BMMNIQDLWCERDF-UHFFFAOYSA-N 424.505 1.714 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[C@@H](C)O1 1437727675 SUBNUYWFSUIMNU-CVEARBPZSA-N 405.520 1.985 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCOC4(CC(C(=O)OC)C4)C3)cc2C1=O 1439219173 HQOXNRHGGOSBBZ-HVPFBLEYSA-N 412.442 1.699 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1447337284 YPJHPOOUJZNRNJ-UHFFFAOYSA-N 408.549 1.744 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1450343953 PKAASXNANGIDSA-PKOBYXMFSA-N 415.287 1.959 30 10 HDEE Cn1c(N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1458733804 UBPBWBQKAVSLMD-LHSJRXKWSA-N 417.510 1.477 30 10 HDEE CN(CC(C)(C)C)C(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1463163126 KQOLNZPFMFPOHE-LAUBAEHRSA-N 417.531 1.815 30 10 HDEE CN(CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OCc1ccccc1 1463163403 NJQPQCLCTAKIBB-QFBILLFUSA-N 405.476 1.042 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1463310137 ZXNXBZCRXIEVMJ-QGZVFWFLSA-N 419.547 1.649 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nc(O)c(C#N)cc2C)cc1 1463728210 RCYPICYWOYCAAV-UHFFFAOYSA-N 402.476 1.928 30 10 HDEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1466738231 VTPPTBJJJASBTE-ROIMOXLHSA-N 403.479 1.863 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1468478310 MCOBHLJRVXYHHV-UZUQRXQVSA-N 403.438 1.276 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1469871931 IPKDOIJVHDGBCG-RBUKOAKNSA-N 421.453 1.874 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)cc2C1=O 1469972582 VKSQRTWZFPWMRM-IBGZPJMESA-N 419.481 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)Nn1ccc(O)nc1=O 1470662186 XTYVGKDZXUZABB-INIZCTEOSA-N 411.418 1.425 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1471522344 WXSFTRSOXOBIAB-CVEARBPZSA-N 404.511 1.652 30 10 HDEE N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)c1 1471965721 AYZSGGDEEIEQEA-UHFFFAOYSA-N 409.265 1.310 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc2)C1 1472246734 QJMTWRXYNFDTAP-UHFFFAOYSA-N 400.456 1.706 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H](NC2CC2)C(F)(F)F)cc1 1472631255 WHBIHYKMULROCU-OAHLLOKOSA-N 403.426 1.401 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473824010 VDDLEDNRHFJBOE-FTRWYGJKSA-N 416.503 1.201 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1502052094 DWFNFKJMPLPPEP-UHFFFAOYSA-N 402.466 1.868 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1502291698 FRNHFWAXXQLBRV-BOSXTWCSSA-N 406.506 1.928 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1504473626 HOIQQZRUVBKSKS-IXDOHACOSA-N 407.540 1.735 30 10 HDEE CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC[C@@H]1C 1504510668 LZPVCCPLAFXIMA-GRDNDAEWSA-N 419.507 1.554 30 10 HDEE COC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504689696 PCPVQNABMHACAS-UVTIVQHFSA-N 402.499 1.575 30 10 HDEE COCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1504790248 ZZVQOGJSYFLOSI-MAUKXSAKSA-N 412.560 1.835 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)CC)c1 1507600267 DDXJUMBJJXEJTG-MRXNPFEDSA-N 418.567 1.458 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc2n1CCC2)[C@H]1CCS(=O)(=O)C1 1507621534 BQLPPUWAFUIEDW-CABCVRRESA-N 417.539 1.004 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507623615 UTVKSMKOFQOBCT-HOTGVXAUSA-N 409.556 1.191 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1507669750 QYUXAZJJNGWMLN-HXUWFJFHSA-N 417.513 1.969 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1507687096 LDUGSLSUNZHECM-GOSISDBHSA-N 424.505 1.204 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN2CCCO)CC1 1507730515 RRLZKAKOZGIPDC-IBGZPJMESA-N 402.587 1.469 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccn2)CC1 1507733637 GRMRTAGUJLDAAD-UHFFFAOYSA-N 423.521 1.020 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1507750143 JZZOLHFBXZCXQX-UHFFFAOYSA-N 405.549 1.720 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(C)=O 1507816601 OYFZLWTVOLWIJT-UHFFFAOYSA-N 409.498 1.849 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNS(C)(=O)=O)CC1 1507884264 ROYLFGXXALTVLW-UHFFFAOYSA-N 422.511 1.102 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507954919 RZAAHHRDIJZNMG-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1507957503 PCIKBEMYECTZSK-KRWDZBQOSA-N 416.526 1.308 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1508039527 YMFDLCXJBWETFD-UHFFFAOYSA-N 420.535 1.524 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H]1c1nncn1C 1508086752 OJNWCOULICCJKJ-KRWDZBQOSA-N 424.484 1.780 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1F 1508089089 VMGMVYJEQJVQFX-MRXNPFEDSA-N 400.458 1.349 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1508144394 DHWPXOILDRCYED-LTIDMASMSA-N 410.540 1.244 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@H](O)C2)CCOC1 1509813024 AKFIOQWWRMAUAW-BMQTXXJKSA-N 419.526 1.599 30 10 HDEE CN(C)CCOCCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1517021619 KWAFXJUYNKGJFS-KRWDZBQOSA-N 410.478 1.998 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1518479361 IQTFJOAGQIIKIQ-MSOLQXFVSA-N 413.478 1.412 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)cc1 1526223569 KFFJYNOUUCSKII-ROUUACIJSA-N 411.462 1.263 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2ccc(Br)cc2=O)c1 1527173785 ZKGKCUCEXNKTEF-UHFFFAOYSA-N 402.248 1.371 30 10 HDEE C#C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1528087855 HPEWGCJERGVHCC-QWHCGFSZSA-N 404.224 1.253 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@](C(=O)NC)(C(F)(F)F)C3)cc2C1=O 1538031306 FVGGBGXMFOIAAQ-GOSISDBHSA-N 409.364 1.609 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1539115712 GVQRWAZFIMHOEY-UHFFFAOYSA-N 416.489 1.574 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1CCCO[C@@H](C)C1 1539271785 KVNDGTXDYWEEHZ-FQEVSTJZSA-N 406.534 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCOC 1539315081 CXXYGEFIXNAFRE-UHFFFAOYSA-N 420.473 1.720 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539621790 SRLOLORWAIBYBF-SUMDDJOVSA-N 402.543 1.357 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539632309 QNUOOIJBFNIACS-ZMMAXQRCSA-N 403.527 1.820 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539887744 GROSZUDQJCVZFN-IRXDYDNUSA-N 409.556 1.466 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2ccc3c(c2)OCCO3)c1 1540608752 KSAKCSQFECGBCV-UHFFFAOYSA-N 404.419 1.867 30 10 HDEE C=C[C@H](O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1540635997 LXFDJOGUYBIMOT-RERGGYADSA-N 406.460 1.793 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CCOc2ccccc2)CC1 1540869313 IVOZCHOXBCNLAC-UHFFFAOYSA-N 410.522 1.659 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC(O)CC2)C1 1540892884 SPCFKCCCNUXFAK-MJGOQNOKSA-N 405.543 1.410 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540901866 RRGRBEYTPDPIHQ-KXBFYZLASA-N 410.540 1.531 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H](C2CC2)O1 1544754345 DMVIOCZIVJPVAW-KSSFIOAISA-N 415.519 1.865 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1554927340 GILLOQQPVXTDLL-MRXNPFEDSA-N 414.466 1.211 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CCO1 1555993503 PHFUEVIFMALBCQ-ZWKOTPCHSA-N 416.526 1.694 30 10 HDEE C=CCn1cc(CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)nn1 1557104254 MTUIKDKIZUZFOM-MUUNZHRXSA-N 411.528 1.229 30 10 HDEE CC(C)(C)C(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1557235941 IJXVEAFCUXYVQQ-UHFFFAOYSA-N 409.483 1.890 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCc4n[nH]cc4C3)CC2)cc1 1557711972 UNNGRMBALHGYFN-UHFFFAOYSA-N 413.503 1.657 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1558421562 FJUOSKBCZJRIFE-QGZVFWFLSA-N 411.543 1.972 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccs3)CCO2)cc1 1558603946 DDUVUCXSDAVZSG-INIZCTEOSA-N 405.501 1.888 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3C[C@@H](OC)C3)nnc12 1559022392 HRTAHXIRKMVZPC-OKILXGFUSA-N 413.503 1.864 30 10 HDEE CC1CCC(NC(=O)CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)CC1 1559630603 YJNKRSHJTBOOBR-MHJFOBGBSA-N 406.571 1.370 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)nn1 1562465331 CFVXDPYSPASYCR-CQSZACIVSA-N 405.484 1.219 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1563416959 PGZPWFWTTZAKLF-FHWLQOOXSA-N 419.522 1.967 30 10 HDEE CN1CC[C@](O)(CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1567317758 WNUQPMGJFWPBLO-AVRDEDQJSA-N 414.506 1.575 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)sc1S(N)(=O)=O 1570831786 WEIOGNVRGOGWPB-CQSZACIVSA-N 420.516 1.627 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@]2(C#N)CCCOC2)C1 1583798199 JMXNOCZBXPVDEM-YWZLYKJASA-N 408.499 1.186 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)c1cccc(C#N)c1Br 1584881481 LGSBSUGZOBNRFW-SFHVURJKSA-N 408.296 1.666 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1587562674 RVHXNRPVPABOEI-OLZOCXBDSA-N 407.496 1.109 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1588083705 ISDQDJZVHDWIHI-OAHLLOKOSA-N 419.482 1.179 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N(C)C 1588574914 WHVVXTDPZQPPHT-HNNXBMFYSA-N 403.458 1.731 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@](C)(O)CCOC)CC1 1588848923 RAHOXFXKIYOKTE-JOCHJYFZSA-N 415.513 1.551 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1589370992 IGMULLQQJRPOAU-CQSZACIVSA-N 407.471 1.698 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1593741090 JAIXARZJWMYXMY-QGZVFWFLSA-N 401.515 1.809 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1594004110 UCJJAVRUAMHDFR-MRXNPFEDSA-N 410.950 1.873 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2=CN(C)S(=O)(=O)N=C2C)cc1 1597600434 AXYSZLLHPZLECQ-UHFFFAOYSA-N 402.476 1.974 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)COc2ccc(C#N)cc2)C1=O 1597712266 QVDBOCUZFUKIJK-KRWDZBQOSA-N 401.463 1.776 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1598084037 OADQPVMOVHDPNR-KNTRCKAVSA-N 417.514 1.136 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1611287831 ZWADBLFVEMBPBI-LLGFUMIMSA-N 416.526 1.981 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1COCCO1 1613321189 UHMQXQPWHJMDBC-WMZOPIPTSA-N 411.510 1.800 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(OCc3ccccc3)cc2)c1=O 1614709032 RNHGEHFUDLYUPF-UHFFFAOYSA-N 420.425 1.092 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(Cc3nc(C#N)cs3)CC2)cc1 1618300302 SGVDVSBCWFPCMS-UHFFFAOYSA-N 410.546 1.996 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CCO1 1619737031 LSXJRFZGMAAZPR-SFHVURJKSA-N 401.467 1.067 30 10 HDEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619835794 KTAIHHMTMWBZBM-GOSISDBHSA-N 412.542 1.418 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 1622125341 QPMWYTOBKQSBSL-INIZCTEOSA-N 418.585 1.453 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 1623058769 XJYNUPMLFSORCC-UHFFFAOYSA-N 423.498 1.099 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CC(F)(F)CNC(=O)OC(C)(C)C 1623197558 UCVFGLXBWQUDEU-UHFFFAOYSA-N 400.430 1.805 30 10 HDEE CC(C)(C)c1nnc2n1CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1633623326 FOOXZTLFJLTALF-UHFFFAOYSA-N 416.507 1.047 30 10 HDEE CC(C)O[C@]1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1635491724 AKIJAQNYJWIVPW-IBGZPJMESA-N 409.508 1.206 30 10 HDEE CO[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1ccccc1 1637059353 LOBKRESUXNXGNH-SFHVURJKSA-N 401.488 1.784 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc21 1639674363 OZLIKLTYILIGIY-IRXDYDNUSA-N 424.457 1.897 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)cc1 1639833140 BUPOYEAVEKBOJC-UHFFFAOYSA-N 412.393 1.469 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](N4CCOC4=O)C3)C2)C1 1640924505 OROOGGMCIMOTPO-AQZMIJIOSA-N 418.494 1.826 30 10 HDEE C#C[C@@H](NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CCOCC1 1641858634 VGXDBDLEAYDFJZ-SJLPKXTDSA-N 409.527 1.587 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1643512763 MUUZJXMPDPVVHD-UHFFFAOYSA-N 404.532 1.773 30 10 HDEE C=CCCn1cc(C(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)nn1 1644546177 ZPZZDEHBVAWBHJ-HNNXBMFYSA-N 421.498 1.773 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)s1 1644757350 CWZUYTIQHQRUAI-CABCVRRESA-N 415.606 1.451 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(CC(=O)OCC)cs2)cc1 1645192776 GBUOWHQNIQTSGA-UHFFFAOYSA-N 421.500 1.090 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](Cn4ccnn4)C3)C2)C1 1645255652 ABJYDGJKGLWEEJ-HRXNXTQESA-N 414.510 1.913 30 10 HDEE C#CC[C@@H](COC)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1648130071 BXNITYULBNJBGQ-HNNXBMFYSA-N 413.515 1.903 30 10 HDEE C#CC1(O)CN(C(=O)c2cn(C)nc2[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1648357830 BTUIJYNAPWPTIU-GOSISDBHSA-N 422.485 1.756 30 10 HDEE COC(=O)c1sc2[nH]c(CN3CCC4(CC3)CC(=O)C=CO4)nc(=O)c2c1C 1648473714 OXYRUYUBKHXIDM-UHFFFAOYSA-N 403.460 1.917 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H](O)c1cccc(Br)c1 1648643555 CIRSNUMKRRHZEJ-ZDUSSCGKSA-N 406.240 1.553 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)COCc2ccnc(O)c2)c(=O)c1C#N 1648749941 GTEKUJBLGQLFDD-UHFFFAOYSA-N 407.224 1.487 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)C1=O 1652243651 BEZFAGVXFRXXSL-VXGBXAGGSA-N 406.405 1.710 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3NC(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1652521255 NBRKZFQBRIVYAW-KKSFZXQISA-N 409.467 1.949 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](C(=O)N(CCC)CC(F)(F)F)C2)CC1 1652617548 QOUCPJOLYRUZDG-KRWDZBQOSA-N 416.488 1.277 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1655364241 CQACFGBSJJSPIA-CABCVRRESA-N 406.426 1.920 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 1657819531 BDJQOXSKZHCMEF-INIZCTEOSA-N 407.492 1.736 30 10 HDEE Cc1nn(C)c(N2CCN(C[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1658895236 GXIAZDGBXZAVBY-HNNXBMFYSA-N 401.536 1.929 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]2C)CC1 1659077929 SQVKEXPFSUDXEN-QYZOEREBSA-N 406.571 1.635 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1 1659403882 FUSKSBMGJAUMLA-BGYRXZFFSA-N 423.494 1.449 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1c(OC)cccc1OC(F)(F)F)C(=O)OC 1661652333 CHOOFGKDCDQDJB-SNVBAGLBSA-N 413.370 1.616 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cc1 1662097407 CWUZMATXXRZVPF-UHFFFAOYSA-N 422.551 1.911 30 10 HDEE CN1CCN(CC2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)C2)CC1 1663201636 BABJKPXSJUNXAG-UHFFFAOYSA-N 402.442 1.445 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1667075912 KEKKGAICMLITDA-INIZCTEOSA-N 421.519 1.983 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccc(F)cc1C#N 1667628088 ACDHRBVRWWICNW-UHFFFAOYSA-N 405.455 1.945 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1670277963 DIXXBYKAKJKEBC-HNNXBMFYSA-N 420.514 1.982 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675516697 UGGWCFXNIBGHDH-HNNXBMFYSA-N 422.530 1.800 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1677304770 ICHJMINSSUSDPB-CGTJXYLNSA-N 400.479 1.852 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)nn1 1680990626 UMVXMHNHKRCKCM-ZWKOTPCHSA-N 404.902 1.989 30 10 HDEE Cc1cc(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)ccc1S(N)(=O)=O 1682201263 CFDLKKGHDCLBNM-QGZVFWFLSA-N 402.476 1.389 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 1682992202 PXFLPKHWKKTXRD-KRWDZBQOSA-N 405.499 1.684 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1685441212 FLBAQMNKBSXHBV-GASCZTMLSA-N 404.540 1.346 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1689824808 XWIYYLGJLQSPLU-HUUCEWRRSA-N 404.515 1.885 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1690059350 OGEVKCNCJHYVHV-GJZGRUSLSA-N 424.596 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCCOC)CC1 1690144336 VJVXTPWOCKODMP-UHFFFAOYSA-N 411.510 1.518 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1690669671 LYELHFFNFMNJRE-UHFFFAOYSA-N 404.421 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690722804 WJUQAFKKVGNFHL-HUUCEWRRSA-N 419.463 1.055 30 10 HDEE C=CCOCCN1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](c2ccccc2)C1 1691197644 OLGRTQVYANSKKG-RTOMLYRKSA-N 400.519 1.825 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1692491788 DFLGGAQTGSNJLE-VGSWGCGISA-N 410.522 1.887 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1F 1692774098 FXOTVFDNBOILMJ-CYBMUJFWSA-N 406.487 1.816 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CC2)CC1 1698489888 BUVIAERIPKPIOR-QGZVFWFLSA-N 407.540 1.737 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CCO1 1698490470 CJGUMQPYYGPVEM-OAHLLOKOSA-N 416.432 1.764 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccco1 1705486226 ZJSMKHJZHGNYTO-VFNWGFHPSA-N 418.461 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1705491038 WMOBYUZNGROCCB-CYBMUJFWSA-N 421.461 1.865 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705538206 GCWGIGVHRDDBFT-KRWDZBQOSA-N 410.482 1.822 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cscc1C)[C@H]1CCS(=O)(=O)C1 1705567821 AEESWQHCZJTMEJ-INIZCTEOSA-N 408.549 1.860 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(F)(F)Br 1705574661 JVYGDHZXVVEOIQ-HNNXBMFYSA-N 417.254 1.991 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C2CC2)cs1 1705582994 OFEPKMCMRLNYML-OAHLLOKOSA-N 415.544 1.635 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCOC2)C1 1705684892 GJYDJWAKMGBLBN-MRXNPFEDSA-N 407.272 1.639 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705738041 IZXUUSQVVKXWKH-SFHVURJKSA-N 418.542 1.298 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1705899662 BPSULSWTEQYPJZ-UHFFFAOYSA-N 411.510 1.526 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1705901475 MOGDXBMOOBCDKS-ZIAGYGMSSA-N 407.478 1.988 30 10 HDEE CC[C@@](C)(O)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708327884 IJVKPIPDIDUJEG-JOCHJYFZSA-N 419.489 1.960 30 10 HDEE CCc1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709162793 KLTUTHLNDSFYRC-VHEBQXMUSA-N 414.510 1.906 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1712328781 BKOWJKPPQOQLEJ-HXUWFJFHSA-N 401.515 1.667 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1722384955 WFGDICLHYFVHHS-SFHVURJKSA-N 403.446 1.533 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1 1722397869 VVALZGBWJBJYLA-SFHVURJKSA-N 418.563 1.992 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)C(C)C)CC1 1722446479 XSUFSCJDKYIEBB-NRFANRHFSA-N 413.526 1.051 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722606006 AUSRVVDXBFWKIW-INIZCTEOSA-N 424.571 1.227 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1722647432 VATGTGXVCFLTGF-AAEUAGOBSA-N 405.471 1.467 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCSC2)C1 1722723095 WBIHULHGOHXEKA-XLIONFOSSA-N 401.536 1.913 30 10 HDEE CC(C)(O)CCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723041307 XKHNMGLKIZBCCD-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1723823783 AMBBRQBDFINPHO-PXNSSMCTSA-N 420.521 1.928 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723827285 MLPYVPQTOVFPEE-CYBMUJFWSA-N 407.482 1.164 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1726708621 HTGNNOXDRAXWNT-SKRHAUIRSA-N 421.505 1.883 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCc2cnn(C)n2)c1 1740564750 WMDMRHCEZZHRFV-UHFFFAOYSA-N 406.494 1.658 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC(C)C 1740613388 GIZREHBBPBPQSC-UHFFFAOYSA-N 419.551 1.871 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740637741 CJZZNQYRSYIPRC-XUTLUUPISA-N 415.457 1.248 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCSc1nccs1 1740639215 RGLSZGNZLJXITJ-AWEZNQCLSA-N 400.533 1.941 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1740663252 DIKNHVPKWGCJHJ-OAQYLSRUSA-N 415.494 1.850 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ccc(OC)nc2)CC1 1740705332 FUGKHTZEJNPXLB-UHFFFAOYSA-N 408.506 1.963 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(OCCOC)CC1 1740715238 GEOFTLSEVHHHNA-UHFFFAOYSA-N 402.524 1.733 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1740899652 OGMXDHSJHAAFDO-KRWDZBQOSA-N 417.535 1.161 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740957470 PASJXTOTFKBEEU-GOSISDBHSA-N 422.493 1.053 30 10 HDEE CC(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741115080 LVXBQZATATWORC-LJQANCHMSA-N 407.522 1.956 30 10 HDEE CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1744801753 BDMZMCQSCHATFD-YOEHRIQHSA-N 407.482 1.925 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1748812054 PBERFMBWKSCCEC-INIZCTEOSA-N 418.523 1.179 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1748962248 CTRGKHWNYBXEJH-CQSZACIVSA-N 423.564 1.333 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCC=C)CC1 1749001026 DXPOXOLLYYWIBY-UHFFFAOYSA-N 400.527 1.738 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@@H]1C 1749080866 WGVCSEZTJKPOTP-COPBIKPMSA-N 404.511 1.534 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1749187870 SUEFFHRDIPGKMR-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N(CCO)CCOCC(F)(F)F 1749262341 NHESUADDBLSJKS-UHFFFAOYSA-N 408.812 1.809 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1749478706 IPMGVWDXMXYEMS-UHFFFAOYSA-N 407.496 1.625 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1749597776 MLACUDFCQWNMJW-UZLBHIALSA-N 400.483 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1749664705 XOTSNDMGFBALMV-MRXNPFEDSA-N 420.473 1.919 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749667255 WHJMRARWUUVMOC-UHFFFAOYSA-N 408.506 1.481 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1750104750 PQNFPKDNKZBNCV-NRFANRHFSA-N 410.478 1.196 30 10 HDEE CC(C)OCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1751055068 NPHUZZOUVATNFW-SFHVURJKSA-N 411.510 1.800 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1/N=CC=CC1=O 1752740769 GKBBAHRYNXJFRG-JCOPARMCSA-N 400.483 1.686 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760117603 RAVOHQSCGZMZPW-DOTOQJQBSA-N 417.535 1.539 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CCOC)C(=O)C1 1760154152 OXNSRPYQESOPQQ-UHFFFAOYSA-N 417.460 1.856 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N1CCCCC1 1760168326 XRQDMUNYOGMRJQ-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1760183815 UEWKTNCVCYRUKY-HOCLYGCPSA-N 421.523 1.601 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cccs1 1760242723 MLHUTPWIOQTEDZ-IBGZPJMESA-N 405.524 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCCCC1 1760243988 VTQQSLULIISXIN-IBGZPJMESA-N 416.570 1.722 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1760255959 QUQJYSIVTSDYME-UHFFFAOYSA-N 418.530 1.975 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760410534 IGRIFVCZOGOWTQ-INIZCTEOSA-N 423.521 1.398 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1760442557 RJDBIVMHQFXGCU-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCC2(O)CCOCC2)C1 1760546879 YGNSCVAWXPGAQA-IBGZPJMESA-N 413.522 1.977 30 10 HDEE CN(C)C(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1766889460 BQKKTXZDWZYXCF-OAQYLSRUSA-N 406.494 1.735 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1767255753 ZCDUSMPPSFYZHA-YESZJQIVSA-N 418.498 1.865 30 10 HDEE C[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1772788007 ICWIIONEKWTXRN-GFCCVEGCSA-N 402.428 1.795 30 10 HDEE NC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789419 FQOANNIABXIRPY-CQSZACIVSA-N 415.789 1.068 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)n1 1848840079 RSDUXUHRXFVUGD-UHFFFAOYSA-N 406.442 1.996 30 10 HDEE N#CC1CCN(C2CCN(C(=O)COCc3nc(-c4cccnc4)no3)CC2)CC1 1850453595 UEQOSXJMKWIXGJ-UHFFFAOYSA-N 410.478 1.875 30 10 HDEE C=CCN(C(=O)COc1nn(C)c2ccc(Br)cc12)[C@@H]1CCN(C)C1=O 1850577290 WTLZBSFRFVIILB-OAHLLOKOSA-N 421.295 1.960 30 10 HDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)NCC#CCN2CCOCC2)CC1=O 1850691875 YRJJDRPQHOWTGV-OAHLLOKOSA-N 405.882 1.153 30 10 HDEE COC(=O)CN1C(=O)N(CCNC(=O)c2cc(CC#N)ccc2Cl)C(C)(C)C1=O 1850930702 MKBDYFGFPRYLNZ-UHFFFAOYSA-N 420.853 1.352 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc(I)ccn3)CC2)n1 1851792151 DKXIPQQDMURVPL-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C(=O)C2 1851944399 KEXWIWCUSZLZGG-UHFFFAOYSA-N 411.439 1.309 30 10 HDEE COc1nn(C)cc1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852508844 ZJWAZBABJXJUGB-QGZVFWFLSA-N 400.435 1.237 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)c1C#N 1852809388 QWRSOYUQYKNMBM-MRXNPFEDSA-N 402.458 1.949 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn3c2OCCC3)cc1 1852832288 PXXCUIZWKDOUGJ-GOSISDBHSA-N 412.446 1.474 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 1853543188 QFXPZOXOMOLBCB-INIZCTEOSA-N 413.526 1.776 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(Cc3cnoc3C)CC2)cc1 1853559907 FIQSHTWZJPYSEE-UHFFFAOYSA-N 401.467 1.363 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1=O)[C@@H]1CCN(C)C1=O 1853681940 FNDHILIBISORHJ-RBUKOAKNSA-N 407.474 1.480 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cccnc2OCC)C1=O 1854131226 FQRGHODFEZIILC-ROUUACIJSA-N 414.506 1.720 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2=O)C1 1854290453 IJVMZQKUHIAFRC-MRXNPFEDSA-N 411.849 1.896 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1 1855537633 MBVNZCDFIAAPCV-JKSUJKDBSA-N 400.454 1.789 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3C[C@H](C4CCN(CCC#N)CC4)CC3=O)n2)cc1 1856150683 NCYWKHZURZCRNI-QGZVFWFLSA-N 407.478 1.585 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](S(=O)(=O)c4ccccc4)C3)C2=O)ccn1 1856470697 QYSIUSGNTQJJLW-RBUKOAKNSA-N 424.482 1.243 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccccc3F)C(=O)O2)CC1 1856602549 HKTXBEVSGJXAHF-QGZVFWFLSA-N 423.466 1.671 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cn(-c4ccncc4)nn3)C2)CC1 1856955985 XLULQVDQTWLWQJ-QGZVFWFLSA-N 407.478 1.667 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCC(F)(F)C3)C2)CC1 1857034878 WNCBGFBJPGBGDG-GJZGRUSLSA-N 417.478 1.752 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3cc(Cl)ccn3)C2=O)CC1 1857071148 DSOISHMNADTCFF-KRWDZBQOSA-N 410.865 1.565 30 10 HDEE CSc1ccc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1857151624 XDDNGECBIZROJA-GOSISDBHSA-N 422.514 1.632 30 10 HDEE CN(C(=O)c1cccc(C#N)c1)[C@@H]1CS(=O)(=O)C[C@@H]1S(=O)(=O)c1ccccc1 1858192994 BHLKNWNRSKMIMO-MSOLQXFVSA-N 418.496 1.270 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccnc4ncccc34)CC2)CC1 1889470963 IKXDJQIFNQCGCJ-UHFFFAOYSA-N 407.518 1.502 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891702942 RCOUNENRYAUCQA-DLBZAZTESA-N 406.508 1.385 30 10 HDEE N#CC1(CS(=O)(=O)NCC2CN(C(=O)OCc3ccccc3)C2)CCOCC1 2054408451 RBOVZFSARZXKTJ-UHFFFAOYSA-N 407.492 1.495 30 10 HDEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn2c(O)c(C#N)c(SC)nc12 2080830857 SSPYDCPDLXAAPP-UHFFFAOYSA-N 420.409 1.323 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118154947 PNCJLIKHLMFIJV-ZJWNCGCPSA-N 408.546 1.574 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCc1nccn1Cc1cc(C#CCO)sn1 2139786640 PHGHPSAGGJWPDY-UHFFFAOYSA-N 406.467 1.961 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2162601978 ZEHCTGNJSOZKSH-MJBXVCDLSA-N 401.485 1.103 30 10 HDEE CO[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2243699435 ZZKDXPXDPOQLBV-HNNXBMFYSA-N 408.304 1.619 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247823796 RQHQSHXLERAGHT-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2247836390 BIYDWJBLCJYLFR-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247836704 GVKLVWLZCIZUQJ-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(Cc3ccccc3)C2)n1 2247913524 XFHJSSUEKVJSIF-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE C[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247928150 XUXHCEXJIFGNOH-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248055820 NXPMIIYUXNUYOR-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258170582 SJUYEQIWBSXSQY-KRWDZBQOSA-N 408.476 1.129 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@H](O)[C@H]3CF)sc2Cl)OC1(C)C 2281967710 QTRGTPXJQKRYLZ-JFGNBEQYSA-N 405.684 1.216 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282488290 ABXBXTNYMAFUAH-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE C=C(CS(=O)(=O)N1CC[C@]2(CCCS2(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282494450 YPXRYMAYBNVUSU-MRXNPFEDSA-N 405.347 1.157 30 10 HDEE CCCN(CCN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282495594 OHXZOWKIWAESDE-UHFFFAOYSA-N 402.753 1.999 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CO1 2282501035 REYXWUQJNUTZNC-STQMWFEESA-N 401.359 1.986 30 10 HDEE CC[C@@H](CSC)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282861587 PXSPXBWLPFAVJV-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE CSCC[C@H](O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282863410 RIVISWLTRUMHDC-GFCCVEGCSA-N 421.415 1.830 30 10 HDEE Cc1nc(S(=O)(=O)NCC2(C)CSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282869733 HOGMJWFZNZWSNA-UHFFFAOYSA-N 401.363 1.059 30 10 HDEE CC1(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CC(O)C1 2282878986 NBPOVFZJRNUQEO-UHFFFAOYSA-N 401.721 1.831 30 10 HDEE CC1([C@H]2CCCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)OCCO1 2283058774 ZBSQKMRHTJAMSH-CQSZACIVSA-N 403.288 1.534 30 10 HDEE C[C@@H]1C[C@@]1(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399141 GSUYVWNOKSPIJR-HWPZZCPQSA-N 401.315 1.436 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccn1C 2327878590 SIQBPCBOJRSSLM-ZDUSSCGKSA-N 418.523 1.878 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2365210140 HLECKNRMWFXMMI-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367797315 UMEWEWIRMXDLEY-JKSUJKDBSA-N 400.541 1.701 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815503 LYFZJKKSIVDOHH-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2367825623 QVXQHGFEUZEEJL-HZPDHXFCSA-N 400.541 1.163 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2372721393 DZCLODVHEWJLME-IYOUNJFTSA-N 402.513 1.514 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CCNC(=O)c3cccc(C#N)c3)CC2)c1 13842817 NATAZYKMDMXSBS-UHFFFAOYSA-N 412.515 1.749 30 10 HDEE CCOC(=O)N1CCN(/C(=N/C(=S)NC2CC2)Nc2nc(C)cc(C)n2)CC1 14161515 ZKWKTDUQISEKIF-UHFFFAOYSA-N 405.528 1.672 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)c1 20527431 XPIDDZHVFJLSSC-KEBDBYFISA-N 413.463 1.883 30 10 HDEE C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 22613081 POTLCCHISQYJAI-CYBMUJFWSA-N 419.434 1.396 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 43943412 IXYYKEDVFUABFG-UHFFFAOYSA-N 424.910 1.471 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 90732271 MQKLURIZAMOAFR-UHFFFAOYSA-N 403.416 1.914 30 10 HDEE C#CCN(Cc1cc(=O)oc2cc(NC(=O)OCC)ccc12)[C@H]1CCS(=O)(=O)C1 111047708 PZKQQJQKTRCRDE-INIZCTEOSA-N 418.471 1.984 30 10 HDEE C[C@@H]1OCC[C@H]1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 442806478 BWRQVYQXRNUSCG-YVEFUNNKSA-N 407.471 1.495 30 10 HDEE CCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443328930 RCYYJADKYHGRLE-UHFFFAOYSA-N 406.508 1.760 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(SC)c(Cl)c2)CC1 463682543 JOYXWEDWIFNFKF-UHFFFAOYSA-N 403.957 1.670 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Br)cc2OC)C1=O 490023576 VEGSBLNZTHBAHA-UHFFFAOYSA-N 410.224 1.051 30 10 HDEE CNS(=O)(=O)CCCN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 501048691 RTZKCFOSOHLKCT-MRXNPFEDSA-N 415.357 1.571 30 10 HDEE N#Cc1cnc(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(Cl)c1 501424116 ZJWIDIQASJLABY-IRXDYDNUSA-N 409.877 1.935 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 505672237 YJUYTBYGXLSFNI-ZJOUEHCJSA-N 417.469 1.784 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(S(N)(=O)=O)c3)CC2)cc1 507546905 GVNSOWUIWPXVEB-UHFFFAOYSA-N 421.500 1.438 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 511060032 CWHFTNXEVAIYQL-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1Cc1ccccc1 531884421 AOHGRWOHHVSWQV-UHFFFAOYSA-N 418.522 1.691 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 542855630 WKQCDXHDKHPNHM-KRWDZBQOSA-N 405.495 1.605 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(C(=O)c4ccncc4)C3)CC2)n1 546877396 ROPUKHCYWXOLBI-SFHVURJKSA-N 404.474 1.549 30 10 HDEE N#Cc1ccc2ncc(CNC3CCN(S(=O)(=O)C4CCOCC4)CC3)n2c1 551556723 ULOSISMXPRAZRC-UHFFFAOYSA-N 403.508 1.269 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2c(C)noc2C)C1 558677530 LSBPMSPGZRRQQO-UKRRQHHQSA-N 424.527 1.475 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 574487875 BNNNNCCKKJBCCS-ZIAGYGMSSA-N 417.539 1.514 30 10 HDEE C=C(C)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 580455113 RUQBBUCEWMHBJS-UHFFFAOYSA-N 416.570 1.568 30 10 HDEE Cc1nccn1-c1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 585475883 QFBUQUKOOACJNC-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1C[C@H]1CCCO1 603800436 XVOYBUBNIASNJR-GOSISDBHSA-N 423.538 1.511 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@H]1CCCO1 603800629 XGUUSUVQRRXUCJ-MRXNPFEDSA-N 415.515 1.410 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 619741335 NKFRVKPDVIEMCP-AWEZNQCLSA-N 406.468 1.557 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@@H](C)c1cccs1 730143763 DTZDCQHLIJKSIT-ACBNZXAQSA-N 412.581 1.823 30 10 HDEE CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732669018 FRIDKRBEECTLGI-KRWDZBQOSA-N 404.536 1.920 30 10 HDEE CN(Cc1ccco1)C(=O)[C@@H]1CSCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746189255 MNBVMSOWUUVENL-DNZUHHBVSA-N 418.475 1.056 30 10 HDEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1C#N 746704918 KKCXAESRIVEWNL-UHFFFAOYSA-N 402.476 1.653 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Cc2cccc(C#N)c2)CC1 749322415 DFVGCAZNCHZSBW-UHFFFAOYSA-N 400.479 1.734 30 10 HDEE CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 753048074 UEKUOOGICHAGFX-HNNXBMFYSA-N 423.535 1.989 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCN1C1CC1 756180543 KNNGGDKHIPSVPW-QGZVFWFLSA-N 406.446 1.751 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 756643996 CTBAHZHCLSOIQD-UMVBOHGHSA-N 416.927 1.805 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(Cn3c(C)nnc3-c3cccc(C#N)c3)C2)nn1 762461357 QNZAYKZYGLKGIN-KRWDZBQOSA-N 406.450 1.798 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC(F)(F)C[C@@H]2CO)c1 782020723 YJCLWMQPDGGTSF-IKGJXOFFSA-N 416.450 1.733 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782416921 BWQKVTDQFUYPLI-UHFFFAOYSA-N 405.455 1.622 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)CN1CCc2cc(OC)c(OC)cc2C1 786800262 ISJKDKCUWGOACQ-CYBMUJFWSA-N 405.451 1.005 30 10 HDEE Cc1nc(Cn2nnc(C(=O)NC3CCN(c4ccccc4C#N)CC3)c2C)no1 787390027 GJQUBNZQDZUTPD-UHFFFAOYSA-N 406.450 1.597 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)NCCc2nc(C(=O)OCC)cs2)cc1 787907774 INILZFZDCKWURN-UHFFFAOYSA-N 401.444 1.629 30 10 HDEE COCCCn1c(NN=C2CCN(CCC(=O)OC)CC2)nc2ccccc2c1=O 788709621 ROCWSAWRCXBSDJ-UHFFFAOYSA-N 415.494 1.860 30 10 HDEE C=CCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 790281773 BBCRENMLHQIPHC-OBAOGOGRSA-N 424.548 1.236 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NCC#CCN[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)C1 792880013 NODVUJSGPQXFCQ-MUGJNUQGSA-N 422.570 1.903 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 802343086 VNOATMNXOJYCFB-LJQANCHMSA-N 424.505 1.538 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192203 MYQAYACLTSENMQ-UHFFFAOYSA-N 404.521 1.670 30 10 HDEE Cn1nncc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 807934529 MIJGGICVPPTDJB-INIZCTEOSA-N 409.475 1.487 30 10 HDEE C#CCN(c1nnc(-c2ccoc2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 812431114 ZCMSFUFTIHHKIM-IRXDYDNUSA-N 404.492 1.734 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(OC(F)(F)F)c1F 813654909 XCYMYUDQWOOFCO-JTQLQIEISA-N 415.386 1.535 30 10 HDEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1 813748317 QMJQVPQXGDVUHC-UHFFFAOYSA-N 402.867 1.765 30 10 HDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2-c2ccnn2C)c1=O 814249843 BKCJJTPECIOHTG-UHFFFAOYSA-N 405.483 1.373 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856613040 VZUZQXAGUXSOKH-GCKMJXCFSA-N 400.479 1.625 30 10 HDEE C[C@@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)N(CCC#N)c1ccccc1 928713286 KFCGHVWPBPMNGT-CQSZACIVSA-N 408.418 1.009 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 1084501278 NZXNCEFWPVQHQJ-UHFFFAOYSA-N 411.491 1.855 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(F)cc1 1116382788 RNEMNTSZKXEBRP-JFNVISDNSA-N 401.442 1.397 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCC(OC[C@@H]2CCCO2)CC1 1124649957 AQFPUMHSWWCJNA-GPANFISMSA-N 403.483 1.811 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc1 1125156328 YZVWWVJUVULWNG-OAQYLSRUSA-N 413.499 1.890 30 10 HDEE COCCN(CCC#N)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1136609242 BYHPHHUGIHDZTL-UHFFFAOYSA-N 417.487 1.873 30 10 HDEE C[C@H](C(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1141412059 XFBNXKIABMZYKQ-AWEZNQCLSA-N 407.492 1.369 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCn3cc(C#N)c(O)nc3=O)CCC[C@@H]12 1154252061 NOHKALFHKNSTOW-JLTOFOAXSA-N 417.466 1.259 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156254441 NKDZTXHHESBBIP-MRXNPFEDSA-N 415.494 1.452 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C1CCN(C)CC1 1156646340 FEAKUCROEZGYSA-UHFFFAOYSA-N 415.515 1.928 30 10 HDEE COC(=O)[C@H](CNC(=O)COc1cccc(Br)c1C#N)[C@H]1CCOC1 1159772547 OSSQGUCNJZAEFN-WCQYABFASA-N 411.252 1.641 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](C)c2nc(C(=O)OCC)n[nH]2)CCCN1C(=O)OC(C)(C)C 1166125855 FCXDMKWJQSPPHO-RNODOKPDSA-N 419.482 1.952 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 1171843337 IDMJCUJSLUFECV-RBUKOAKNSA-N 409.421 1.317 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 1178539483 LIIRCGQFWIQBHV-AWEZNQCLSA-N 404.471 1.154 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@H](Nc3ncccn3)C2)CC1 1198479368 QBXUYONGEBFHSZ-IAGOWNOFSA-N 411.535 1.433 30 10 HDEE COC(=O)[C@@]1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1 1210679211 ALMOABDCYHCVEA-CYBMUJFWSA-N 407.217 1.070 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)c(C#N)cn1CC 1219174041 DTCUMDWKDHNARD-UHFFFAOYSA-N 413.438 1.171 30 10 HDEE C=C(C)CONC(=O)N1CCN(c2ncc(I)cn2)CC1 1230563122 YEDYVAKYXMTSSW-UHFFFAOYSA-N 403.224 1.421 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1230877842 KKZSDLBZXDEDAV-IBGZPJMESA-N 422.551 1.683 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1233926964 CAEREZKPJDENDQ-XHSDSOJGSA-N 419.444 1.672 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 1261859727 CGYGNFSTTCEWLI-GOSISDBHSA-N 402.428 1.466 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(F)n3)CC2)ccc1F 1273398235 OFADWGRKVZRRKY-UHFFFAOYSA-N 422.457 1.787 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1286387876 VTNXZODCOXAEIO-INIZCTEOSA-N 401.492 1.003 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1nccn1C(F)F 1286467300 SZUGSFZUQVAHRY-UHFFFAOYSA-N 401.421 1.990 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1286469429 FFIPCWZRFSJYMP-UHFFFAOYSA-N 400.571 1.979 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)cccc2C)CC1 1286478418 BILHJDXPSHQZQM-HXUWFJFHSA-N 406.534 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@H](C)C(=O)NC 1286784373 GBTQFLLJDPYUKF-AWEZNQCLSA-N 400.483 1.074 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)F)C1 1286814149 LJNRFTPCLCXSIO-ZDUSSCGKSA-N 419.498 1.499 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1290343827 STBZUSKFYPGWJG-CQSZACIVSA-N 408.867 1.603 30 10 HDEE CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297573390 YYJHLYZAUXPLED-GOSISDBHSA-N 411.510 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)CN1CCOCC1 1300267731 JDHWKJJVVATHTR-SJORKVTESA-N 404.559 1.623 30 10 HDEE C#CCCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1300425338 UEKNZMVYMPTYEQ-JOCHJYFZSA-N 415.538 1.935 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1300441475 PKKKLZHYVUNBRO-IBGZPJMESA-N 404.492 1.224 30 10 HDEE C#CCN(c1nnc(C)n1CCCSc1nccs1)[C@H]1CCS(=O)(=O)C1 1300483717 LLBBUCLDZXVAHT-AWEZNQCLSA-N 411.578 1.852 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1300631180 MWSFPYGLYFQZEH-RBUKOAKNSA-N 415.563 1.943 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1300642761 DGVVOIXZAAUXBW-HNNXBMFYSA-N 414.514 1.986 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1300698089 MZJRRRQZIDVZGL-UHFFFAOYSA-N 408.506 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1300894617 FTSDYCTWSDDELO-OWSLCNJRSA-N 424.567 1.552 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1301312649 JCYJAROVCCZRNH-FHWLQOOXSA-N 407.559 1.981 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1301499666 DHQUACNCVHYGFU-KRWDZBQOSA-N 412.494 1.210 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1303004078 MBKRRTXPDBEHQT-RCCFBDPRSA-N 401.442 1.277 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1303367576 XDQWHGUCIDMIIK-CCKFTAQKSA-N 406.462 1.196 30 10 HDEE CC(C)OCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303542280 WJTFCMWZKMMPCG-ROUUACIJSA-N 415.542 1.611 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1303901839 LVMTVGHCKWSEIX-JLSDUUJJSA-N 417.441 1.701 30 10 HDEE Cc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1304552196 XDVKBAIWJULEJQ-IBGZPJMESA-N 420.514 1.559 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)NCc2ccc(COc3ccccc3)cc2)CC1 1307779223 RPJHVHCDZZKWPQ-UHFFFAOYSA-N 406.486 1.940 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1309481539 QXFGSIJJAQYHIF-SFHVURJKSA-N 419.547 1.984 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1313491051 AQYPNJIGATVCPQ-UHFFFAOYSA-N 409.494 1.448 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1 1322578934 ONDHQKVNWMENKE-AWEZNQCLSA-N 410.430 1.822 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1348620535 APQHFABVVCYQGT-FQEVSTJZSA-N 405.520 1.963 30 10 HDEE Cn1nc(I)cc1C(=O)Nc1nc2n(c1C#N)CCS2 1353069568 SIBAOZPSHAMJAL-UHFFFAOYSA-N 400.205 1.451 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3ccsc3C#N)cc2)CC1 1353564385 GMNJQUBTOGTARE-UHFFFAOYSA-N 419.484 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358888528 NYSSHFRTYSNJEJ-HKUYNNGSSA-N 410.522 1.910 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCN1CC 1358943687 REQDOAKXDZHZPZ-LJQANCHMSA-N 405.510 1.865 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358957438 URNBVKMNKXCCPM-HKUYNNGSSA-N 422.938 1.774 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358963240 FCELJODZEPCEFX-CABCVRRESA-N 421.548 1.108 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1 1358985105 PLBBKPRCOLLUNY-KRWDZBQOSA-N 414.535 1.297 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1 1358992701 TUVJYJRLBWOMOF-KRWDZBQOSA-N 407.474 1.758 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359099615 QPAUCMKGUYOUMX-PZTGFMGMSA-N 403.527 1.855 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1359291111 FERUTEUVIDGLEI-HNNXBMFYSA-N 422.480 1.688 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359292225 KTFFDPXTUUEQOQ-UHFFFAOYSA-N 413.482 1.939 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3ccc(Cl)cc3)CC2=O)cn1 1435829021 YWTTZUPMBVOQNA-RHSMWYFYSA-N 401.854 1.917 30 10 HDEE Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439614980 MEYLGPNVXDWGSU-ZBEGNZNMSA-N 423.292 1.416 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(C)(C)O)[C@H](C)C3)n[nH]2)c1C 1447803442 UAGDLRJFPJKKGI-CQSZACIVSA-N 400.527 1.993 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449164098 LDKABBNBFLRYCE-ROUUACIJSA-N 403.479 1.392 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1449309100 NFZZNILQVBBUID-INIZCTEOSA-N 416.478 1.573 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)n1cnc(C#N)n1 1454921075 BSULNINDDFMDAX-RYUDHWBXSA-N 406.368 1.910 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1455192087 QCYHAEBWQCWLDV-DLBZAZTESA-N 407.555 1.589 30 10 HDEE Cc1sc2nc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc(O)c2c1C 1456613854 OCGTXOYQFCEHSY-KPZWWZAWSA-N 420.516 1.343 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1 1460227430 HPBIDSZXBSGDIU-CVDCTZTESA-N 410.518 1.789 30 10 HDEE N#C[C@]12CN(CCOc3cc(F)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1460884587 VLJAHMUZRPMKGQ-XHDPSFHLSA-N 403.273 1.837 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1463616477 FFSUKQVWRDUAJO-LLVKDONJSA-N 403.298 1.939 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@@H](OC)C(F)(F)F)c(C#N)cn1CCOC 1466104325 FODAUZBNXIMNSC-LLVKDONJSA-N 406.361 1.882 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3nnc4n3CCCC4)C2=O)cc1 1466330284 XUWRWJXEQZZVOM-MRXNPFEDSA-N 421.461 1.050 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(CC(=O)NC)CC1 1466816981 SFZZWPUNSSCVKA-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE COC(=O)C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1470118913 DCIGVPQYHMHQNQ-DOTOQJQBSA-N 412.446 1.469 30 10 HDEE Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)O2 1472192044 RGWVSWDLJBHZSG-ONGXBYRLSA-N 418.515 1.798 30 10 HDEE N#Cc1c(N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)ccc([N+](=O)[O-])c1N 1472902346 LZVJXAIJFSKLLE-XPTSAGLGSA-N 404.370 1.995 30 10 HDEE CC(=O)Nc1ccc2c(Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)cc(=O)oc2c1 1473072606 DPBBKFBBWWVWCC-UHFFFAOYSA-N 406.398 1.638 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H](CCNC(=O)C(F)(F)F)c3ccccc32)CC1 1473728202 VEYOTAHOGZZZIL-INIZCTEOSA-N 422.451 1.436 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1475132519 SRAMCNIZWXSNSG-RTBURBONSA-N 424.519 1.631 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OC 1475687514 FJVCUYJGIJGKBQ-LLVKDONJSA-N 411.448 1.859 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCOCC1 1477409494 NXXRBZKFANHEIH-HXUWFJFHSA-N 419.547 1.876 30 10 HDEE CC(C)(CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)CS(N)(=O)=O 1479125432 SDBFGHJWHBKEQW-UHFFFAOYSA-N 412.487 1.565 30 10 HDEE CCOCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503190341 ZRHCIVQACFSPGF-ZPHPHTNESA-N 411.466 1.339 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1503213580 HONPGHCCZJUHOD-KRWDZBQOSA-N 419.507 1.389 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1503362169 RQPFHJWFAVSBHQ-ZWKOTPCHSA-N 421.505 1.400 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1504505375 UIAPUEOZWOEWHN-DABFGRTLSA-N 416.526 1.963 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1505314538 FYRMKPFQINQYKQ-LAUBAEHRSA-N 412.469 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1507516729 MKXXXXHFRASROC-XWTMOSNGSA-N 424.615 1.714 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1507591887 OYIUJMWVAQBPAW-KRWDZBQOSA-N 404.478 1.236 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1507639436 YECNLUJRWHRFFU-CYBMUJFWSA-N 424.445 1.368 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)CC1 1507731528 KTKHNCYFJFBMLO-QGZVFWFLSA-N 402.543 1.580 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C 1507763534 CPHIJFPZYORFSW-BFUOFWGJSA-N 420.539 1.788 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507936499 DWDIVGJQHJUBJY-HNNXBMFYSA-N 417.514 1.149 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507948710 UIFRLHTVYBWTMJ-CVEARBPZSA-N 402.499 1.023 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N1CCOCC1 1507970225 GGLCZMBZDZWRDN-UHFFFAOYSA-N 423.315 1.907 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1508036097 KDRDPADADJMFMH-LAUBAEHRSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1508088017 RBAXIKSUBDVHNJ-JTSKRJEESA-N 424.505 1.283 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1508096355 GFDPQTUONKRURG-JKSUJKDBSA-N 404.515 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCS[C@H](C)C1 1508142187 RFLUSQUAPSPFFB-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1C(C)(C)C 1508148829 KSOIEHYSHVDGPV-AWEZNQCLSA-N 420.601 1.436 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCN(C)C1 1512938069 MPUCMFKMGGSDJP-SZNDQCEHSA-N 411.510 1.393 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1snnc1C 1519160580 CCAOSNKSXGIMJQ-UHFFFAOYSA-N 404.500 1.089 30 10 HDEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1521057363 IAMHWETUEXUCIA-UHFFFAOYSA-N 410.459 1.385 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCOCC2CCOCC2)CCO1 1521130263 UEFXAEMKJVSIQR-ROUUACIJSA-N 405.499 1.344 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@@H]32)c(C#N)cn1CCOC 1525335203 FFBLIAUIUKLTEI-BZUAXINKSA-N 416.478 1.816 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c3ncccc23)C1=O 1532938552 WGDCHSGSRUXKRG-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1534199697 YLCQNEUSPJDNMS-CQSZACIVSA-N 400.298 1.403 30 10 HDEE CCc1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1538301488 ADUFALWGUHKSFD-OAHLLOKOSA-N 419.425 1.844 30 10 HDEE C#CCN(c1nnc(CC)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1539221233 ZACONZCIXZZJEH-SFHVURJKSA-N 401.536 1.604 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1539230193 CLNKCHNUFNTQES-YESZJQIVSA-N 424.592 1.900 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539230784 KFGNBUOVPFQGDD-KZNAEPCWSA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1539239473 LLGZWLMEFANIJZ-QGZVFWFLSA-N 420.583 1.083 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1539338259 SWRVUSCOJXGKCW-UHFFFAOYSA-N 402.543 1.209 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1C 1539409345 XXGNMOHIWJXVQZ-UHFFFAOYSA-N 408.462 1.844 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1540036796 UTMXKUJPWUOGMD-QGZVFWFLSA-N 407.515 1.060 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Br)C1CC1 1540094718 QBEOAEZNSUSMCF-LLVKDONJSA-N 404.334 1.952 30 10 HDEE C#CCN(CC(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)C(=O)OC(C)(C)C 1542209553 FQMRMDBSIMAUJR-SFHVURJKSA-N 414.506 1.945 30 10 HDEE C[C@@H](Cc1cnn(C)c1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543496900 HKKWCJSQSAKHEB-HNNXBMFYSA-N 415.519 1.440 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)n1 1543693190 ZYPOVXGUEUTCOI-UHFFFAOYSA-N 414.418 1.875 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)N(CC)CC)CC2)n1Cc1ccc(C#N)o1 1548167653 YWHOYLYVKBMVDZ-UHFFFAOYSA-N 415.498 1.911 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCSCCCO)CCO1 1555994086 FKHBQVDWLYFPEZ-SFHVURJKSA-N 401.536 1.908 30 10 HDEE C=CCOC[C@H](NC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C(=O)OC 1556375449 JKFMMYYCGWUUSF-HNNXBMFYSA-N 410.264 1.910 30 10 HDEE C[C@H](CC(=O)N1CCN[C@H](c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557033369 YNCLPAYKUIAYTN-QAPCUYQASA-N 412.515 1.677 30 10 HDEE Cn1ccnc1C(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nccn1C 1557543351 RWCOBEHOVQMPSA-UHFFFAOYSA-N 416.438 1.109 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cc1 1557723766 YIISVGNCZFOKOX-HBFSDRIKSA-N 413.547 1.933 30 10 HDEE C=CCCC[C@H](NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1558383821 PTDVJIRRDZRCPC-HOCLYGCPSA-N 411.524 1.994 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1=O 1558463998 CDTCQRZODUCZKD-VAMGGRTRSA-N 424.549 1.689 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1559661197 PCGCTESHZFBMSJ-MSOLQXFVSA-N 421.453 1.295 30 10 HDEE C[C@@]1(C#N)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1560182776 PTVIXYRMNLNYPL-OPAMFIHVSA-N 411.506 1.971 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CCOC1 1565052362 JDYCAGHQDOTGIN-JXFKEZNVSA-N 409.490 1.990 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)C(=O)NCC(C)(C)C)s1 1566547651 AAAHVPPBQJKOMB-UHFFFAOYSA-N 415.581 1.812 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(=O)OC(C)(C)C 1567387536 CARZFDUZOGKCKC-HUUCEWRRSA-N 406.483 1.732 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 1583541483 HMNMKIRNAHQMKU-AWEZNQCLSA-N 421.519 1.996 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)c1Br 1583717209 HNKLJAXHTZKLST-UHFFFAOYSA-N 414.263 1.777 30 10 HDEE N#CCCN(C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1)c1ccc2c(c1)OCCO2 1584859099 QGCWOZJYZVIVNB-UHFFFAOYSA-N 407.386 1.598 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1588159100 PUFTXDCXGFTSBL-UHFFFAOYSA-N 424.530 1.293 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1588482923 YIJHLIJEWUKMJP-SFHVURJKSA-N 424.480 1.534 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588923855 OIZLFDSJMNXODE-ROUUACIJSA-N 401.511 1.173 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1589383469 VOSPYJJZLXTTNO-INIZCTEOSA-N 409.288 1.583 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1594963450 SVRUSZGIUMGFBG-NDEPHWFRSA-N 403.556 1.843 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595556303 QULVYHGWFZOMQC-LPHOPBHVSA-N 412.513 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 1595824051 VZSDETTVUCNNJL-MRXNPFEDSA-N 409.556 1.313 30 10 HDEE Cn1nccc1CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1607653978 RJKHRTHFYLWNMB-UHFFFAOYSA-N 402.296 1.941 30 10 HDEE C=CCN1CCC(NC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1616330963 NKHGBJIQXCGFBP-AEFFLSMTSA-N 408.587 1.979 30 10 HDEE N#Cc1cc(F)ccc1CN1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1620450788 FUAPAXAEAKWJNA-UHFFFAOYSA-N 402.495 1.793 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1C)C(=O)OCC 1622450303 OISWESQGBMRLRU-CYBMUJFWSA-N 409.913 1.751 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)OC(C)(C)C 1623724110 GEYSABPPSZOAPK-CABCVRRESA-N 401.529 1.081 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](CC#N)c2ccccc2)cc1 1624838573 USIKVKDQPBGENN-IBGZPJMESA-N 401.488 1.925 30 10 HDEE Cc1ccc(C(=O)NCc2nc(C(F)(F)F)no2)cc1S(=O)(=O)NCC#N 1624924505 TWEPZDRRHGHYFA-UHFFFAOYSA-N 403.342 1.129 30 10 HDEE CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cn1cc(C#N)c(O)nc1=O 1626270815 BQFLGQKHQVZAHZ-CQSZACIVSA-N 411.462 1.703 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCOC2(CCS(=O)(=O)CC2)C1 1627880544 UEPZAKSKYITIRH-UHFFFAOYSA-N 401.406 1.863 30 10 HDEE COc1ccccc1[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)N1CCCC1 1628258587 BLYGBOMKSOJCSH-KRWDZBQOSA-N 411.462 1.173 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@H](CC(F)(F)F)C3)C2=O)cc1 1630093874 FPISJDAXBWRYSI-HUUCEWRRSA-N 424.379 1.943 30 10 HDEE C#CCN(C(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C1CSC1 1632571975 WNJDZTXGJPDRSV-UHFFFAOYSA-N 401.488 1.771 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2cccc(OC3CCCC3)c2)CC1 1632966187 KGQXHFWRDIWRLY-KHPPLWFESA-N 417.531 1.633 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@H](C)O2)C1 1633522555 LGIISNPYUQKJGB-RXVVDRJESA-N 421.563 1.662 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@@]23CCOC3)C1 1633905585 MTNQSDYFLVZLNR-SFHVURJKSA-N 406.280 1.775 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1634389932 UUSXZQDXBIGDTQ-NHCUHLMSSA-N 416.522 1.642 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN[C@@H](c4cn[nH]c4)C3)C2)C1 1634964293 DNCUNSDXRLKHEW-ABLWEVDZSA-N 414.510 1.669 30 10 HDEE C=CCOC[C@H](NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)OC 1635159216 VKIYPQYZJUFFDZ-QMMMGPOBSA-N 415.315 1.306 30 10 HDEE CN(CC(C)(C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1636335481 RXOGSWFRJRKRFO-KFWWJZLASA-N 413.540 1.665 30 10 HDEE N#CCc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1636450571 FGZHIVCWQHYNGQ-GOSISDBHSA-N 408.458 1.876 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@]3(C#N)CC3(C)C)CS(=O)(=O)[C@@H]2C1 1636871475 NDZRMBWMSQMAKX-QGDIXAPHSA-N 411.524 1.465 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc4cc(Br)sc4[nH]3)C2)c(=O)nc1O 1637505125 CNHGCJKPDGEOPE-UHFFFAOYSA-N 420.248 1.823 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(F)cc(I)c1N)C(=O)OC 1639558346 HPZOCXBBXKXRDK-LLVKDONJSA-N 422.194 1.487 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CCOCC1 1640487304 PXHHOSDORDSJSE-MOTZXUDYSA-N 410.474 1.226 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NC)cc2OC)cc1 1640882787 FZVSEUJDPONEIQ-UHFFFAOYSA-N 403.460 1.771 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1640897129 XWXOGRQRYBJRLF-OAGGEKHMSA-N 414.911 1.333 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21)C(=O)OCC 1648779442 LOZRABAQICRBFN-XFMPKHEZSA-N 403.932 1.903 30 10 HDEE C#CCN(C(=O)CCN1C(=O)CCNC1=S)C1CCN(C(=O)OC(C)(C)C)CC1 1649384648 FGBPPFQRWDKNHM-UHFFFAOYSA-N 422.551 1.345 30 10 HDEE C=CCC[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1654577766 OTUGGIYLDVULPG-ZDUSSCGKSA-N 417.466 1.005 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1655827763 SDRFOSORPGNFHH-KRWDZBQOSA-N 421.519 1.142 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1655958687 REDPOIRXGQBBQV-INIZCTEOSA-N 405.561 1.392 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 1656883489 HQDMCKSOSDKYPJ-SNVBAGLBSA-N 418.288 1.063 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1 1656992452 ATBZQIHMQOFHCT-UHFFFAOYSA-N 406.446 1.663 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1662443531 ABRQIYFELXOZSP-SNVBAGLBSA-N 404.673 1.773 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)c1 1664551456 SSHJVZMKEJNXIJ-HNNXBMFYSA-N 424.519 1.629 30 10 HDEE N#CCC1(CS(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)CC1 1665355826 HZEHUXWMTKYYKY-UHFFFAOYSA-N 411.549 1.030 30 10 HDEE C=CC[C@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccncc1 1669191596 KFTJTSRSCTZFCH-IBGZPJMESA-N 409.490 1.773 30 10 HDEE C#C[C@@H](NC(=O)NCCOCCS(C)(=O)=O)c1ccc(Br)cc1 1669191780 MPIOZMCYSCFXSA-CQSZACIVSA-N 403.298 1.484 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 1670882044 BOAFWTUAYKIJSD-UHFFFAOYSA-N 401.529 1.630 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC2CCC2)c2ccccc2)CC1 1671119460 QFIUFFVURYFQBA-IBGZPJMESA-N 404.536 1.713 30 10 HDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672351948 AJDIFSIBRRZJEO-RTBURBONSA-N 423.517 1.605 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1678441010 BNFFBDNPBJTVQG-KRWDZBQOSA-N 421.505 1.790 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)CC1 1680021039 RRQSCPOIUSEJBH-QGZVFWFLSA-N 419.551 1.143 30 10 HDEE N#Cc1ccc(CNC(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1Cl 1680521115 CTGGKJTXLHPFTJ-UHFFFAOYSA-N 413.865 1.443 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(N3CCNC3=O)cc2)n1 1683522235 ACMTUJLAEONETL-KRWDZBQOSA-N 424.505 1.965 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1684832892 LRLWTNANNTUNEO-MRXNPFEDSA-N 415.471 1.821 30 10 HDEE C=CCCC(C)(C)NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1686716115 ONSODKYUWSCKIX-UHFFFAOYSA-N 409.508 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1689826375 MVZMREAHLAHVTM-QWHCGFSZSA-N 409.487 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCCS(C)(=O)=O 1689826443 NZGUQAVOZHHVAC-HNNXBMFYSA-N 418.523 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1689834027 VOCJKTFPIPOZMB-LLVKDONJSA-N 414.329 1.928 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689938615 QKNORBHTYIWRAQ-INIZCTEOSA-N 418.519 1.902 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1689969264 QOHWLHLZQZEIQT-UHFFFAOYSA-N 400.446 1.128 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1690015312 ICHOGICUCQPNPP-HXUWFJFHSA-N 420.517 1.291 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](C(C)C)N1CCOCC1 1690043140 QGWPVGCNRVHSPD-FQEVSTJZSA-N 407.522 1.555 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1690345721 BPXSSBNHHVKBDX-KBPBESRZSA-N 404.920 1.174 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690508738 OIYUNWPRLLEVRC-MRXNPFEDSA-N 418.542 1.932 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1690515718 RYDSQVNZMZEMEY-CQSZACIVSA-N 421.523 1.604 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1690676254 UQDXVBPOANAMSL-QGZVFWFLSA-N 410.478 1.505 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCOC2)C1 1690690462 ZCYCLVCUKFKVCL-XLIONFOSSA-N 415.450 1.786 30 10 HDEE CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1695330057 VHEBODQQEBXPBC-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@](C)(C#N)C1 1696588059 BMBHLXYICYXPAA-FQEVSTJZSA-N 420.481 1.139 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1697076539 GMLDUCKWIQJVNT-UHFFFAOYSA-N 411.466 1.183 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1)OC 1697767379 QEVSCXIYJASCLX-GOSISDBHSA-N 424.461 1.941 30 10 HDEE COCCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@H]1C 1698078152 HDVCEANTSSAFHO-OAHLLOKOSA-N 415.498 1.086 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[S@](=O)C(C)(C)C 1698134377 JGSDXCKTVLXBTI-ZKLVULHXSA-N 415.535 1.991 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCN(C)C 1705544389 OLEHWVWDWQFMJO-UHFFFAOYSA-N 409.332 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)C 1705580145 DWLGJQRJUFTVFV-UHFFFAOYSA-N 404.474 1.690 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCn1cc([C@H]2CCOC2)cn1 1705626098 IZEYZAZPTMQMKT-KRWDZBQOSA-N 409.494 1.760 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705658184 HMLWGCDBWOGVFV-KRWDZBQOSA-N 413.551 1.403 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1705736803 CTPYLBGPJZOKSR-MRXNPFEDSA-N 410.540 1.532 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc3c2OCO3)CC1 1705763085 OAVALRWWPQHGRA-AWEZNQCLSA-N 419.507 1.822 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705810881 KKDMHEQIYRFWMZ-HXUWFJFHSA-N 411.466 1.923 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1705812328 WZDGTHDVNYAOSL-NEPJUHHUSA-N 411.450 1.622 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705820936 DXJJSEHJLNPRMZ-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1709899848 DNMIVFUOHUTBNR-FQEVSTJZSA-N 416.457 1.883 30 10 HDEE CN(CC1CCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711139919 SMKJDSZZMCFLSF-DXQAYGFFSA-N 400.483 1.545 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1722344434 JMBIQTPWCJLWHO-CQSZACIVSA-N 405.524 1.233 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1722345118 WTWSCFHOWZPGDC-UTKZUKDTSA-N 413.526 1.402 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1722362936 XGQGSPBVCRSWDW-INIZCTEOSA-N 416.551 1.384 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C1CC1)N(C)C 1722382813 OIKPGTKJGFQWND-FQEVSTJZSA-N 401.518 1.930 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1722413363 LZLHLJFZIFWAFS-UONOGXRCSA-N 423.564 1.852 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)s2)CC1 1722430113 XJXOZDPYNBESFO-UHFFFAOYSA-N 406.943 1.935 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1722476499 YLTRJYVGJOLLLW-JOCHJYFZSA-N 412.538 1.651 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](OC)C1 1722688580 GJILHNQQCHJLBJ-ZDUSSCGKSA-N 423.315 1.573 30 10 HDEE C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691290 RFZYADQPIHRDAA-GHTZIAJQSA-N 405.543 1.663 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 1722725154 HKNAOIVIWPAVOK-INIZCTEOSA-N 404.540 1.471 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1730483803 GLNIMESIKYLMIG-IXDOHACOSA-N 417.441 1.161 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1F 1731142462 JYSKNHZNQUGZPB-PBHICJAKSA-N 412.469 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740557120 LJVIYDLTQLQZBP-HZPDHXFCSA-N 418.519 1.758 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(CS(C)(=O)=O)CC2)c1 1740562798 QIKVYHAFNPHIDE-UHFFFAOYSA-N 415.519 1.468 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1740625766 PIWKSSRHZJZBJQ-SFHVURJKSA-N 414.531 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCn2ccnc2C1 1740629325 JOJBLEFGAGEZHT-QGZVFWFLSA-N 407.522 1.728 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1COCCO1 1740644871 XNCJSJDXWWYSAW-GOSISDBHSA-N 401.511 1.465 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1740657441 SEYVNVKKLFYTRF-LJQANCHMSA-N 403.486 1.579 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(CC#C)CC1 1740709968 OHUSPKYAHJLSMN-UHFFFAOYSA-N 402.568 1.318 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1740722832 FTBSHNLTZFBDOE-JOCHJYFZSA-N 415.586 1.434 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1740761459 WUJKTWKUYUTELC-LPHOPBHVSA-N 417.535 1.480 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1740767689 YVUFSMVBOBUAEQ-HNNXBMFYSA-N 422.555 1.521 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(=O)NC)C1 1740862197 MUHJXLABNQTVPI-MRXNPFEDSA-N 416.482 1.313 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1740889045 XZUVVPOXVKIJNX-QGZVFWFLSA-N 411.572 1.303 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1740959396 UCAATRLDZIZQED-AWEZNQCLSA-N 401.471 1.542 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nnc(C)s2)C1 1740977788 YIEVEFNVJWNAPO-HNNXBMFYSA-N 400.512 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)C)C1 1740979822 LNLORNVCTGLDPW-AWEZNQCLSA-N 423.477 1.463 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1741005152 SYIGKDZCURILAT-JXFKEZNVSA-N 421.567 1.660 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1743253782 CZIRNWVBSBQYJV-HZPDHXFCSA-N 417.535 1.970 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1748266367 CAWHIXJWICSWLC-QGZVFWFLSA-N 412.494 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@@H](C)NS(C)(=O)=O 1749140542 QMWFURISRQVILB-NFAWXSAZSA-N 409.516 1.347 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749714895 ONRTUPMFIMOBKY-ROUUACIJSA-N 417.535 1.480 30 10 HDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCOC1(C)C 1752437851 LWSFARVNPHETFC-OAHLLOKOSA-N 407.482 1.897 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1760185655 AMUDXUKHQNYFSC-OAHLLOKOSA-N 409.556 1.018 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1760224225 CCOMWYJWDLOISS-INIZCTEOSA-N 410.478 1.928 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCCC1 1760248208 DUIBFZBFAGHSJJ-UHFFFAOYSA-N 422.489 1.985 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1csc(COC)n1 1760248945 GKZVICKOWLKDJT-OAHLLOKOSA-N 405.524 1.909 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(C)CCOCC2)CC1 1760252693 ULYZHRLFRGFVRA-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1760322626 VLRHYIIIJBFCPA-RYRKJORJSA-N 405.543 1.799 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1760340920 STRQERUSNWRLDI-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760436199 LUUHDRNJDYSVCD-PXNSSMCTSA-N 424.553 1.690 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1760521541 WKHXMVRAPOBHLY-SFHVURJKSA-N 424.505 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1760555653 KAGMMNZQVVJMQA-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1760565060 NFLOXEYMWPYDGT-INIZCTEOSA-N 420.583 1.891 30 10 HDEE CCc1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763121859 XRKZICGQOGWYFA-VHEBQXMUSA-N 401.515 1.145 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1769908551 DWOUVKDORYVJQS-ZDUSSCGKSA-N 422.445 1.787 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1769996255 WEAMDKUBUFSYIC-SQGPQFPESA-N 424.521 1.412 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1770757358 XKEJUNIZDGHCIN-QGZVFWFLSA-N 422.555 1.338 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1772844828 AMMDDCYXKMHQLO-WIYYLYMNSA-N 419.526 1.864 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@]3(C2)NC(=O)N(Cc2ccc(F)cc2)C3=O)CC1 1848520922 MFIWJJOYFYUYCT-LJQANCHMSA-N 407.467 1.761 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccc(O[C@H]4CCOC4)nc3)CC2)CC1 1848973511 INDAVROHGAJRNF-IBGZPJMESA-N 412.490 1.864 30 10 HDEE CN(C(=O)c1c(Br)cnc2[nH]cnc12)C1CN(c2nccnc2C#N)C1 1849838898 VDFZAIUCHDWCQH-UHFFFAOYSA-N 413.239 1.343 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)Cn2cnc3ncccc3c2=O)CC1 1849980866 KIXFLFXYVCNRIV-UHFFFAOYSA-N 403.446 1.091 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 1850124655 DNJUAPYCWKQUAF-KRWDZBQOSA-N 409.577 1.754 30 10 HDEE CC[C@@H](C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1)N1C(=O)COc2ccccc21 1851383091 MFZLNIYSXFYNMQ-HOTGVXAUSA-N 408.414 1.821 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3ccc4c(c3)NC(=O)[C@@H]3CCCN43)CO2)nc1 1851451018 PRXYMVUXESVDLE-YJBOKZPZSA-N 405.414 1.851 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1ON2CC1(C#N)CC1 1851452748 QFTRRBPQTYOQSO-ROUUACIJSA-N 421.453 1.793 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C[C@@H](c1ccc2c(c1)OCO2)n1c(C)ccc1C 1852528020 MGESAMZAXWDROQ-SFHVURJKSA-N 416.499 1.977 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCCN(C3CCS(=O)(=O)CC3)CC2)cc1 1853057579 BIOMLOJAIGRACF-UHFFFAOYSA-N 419.551 1.265 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1853652382 AIQNCBDRBSPTTI-GDBMZVCRSA-N 418.519 1.148 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)C(=O)C12CCCC2 1853785627 IEXKGLGJPSAPMV-OAHLLOKOSA-N 402.520 1.840 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cn2ccnc2C2CC2)C1=O 1854189325 HELKMDFESIEYBY-ROUUACIJSA-N 413.522 1.387 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2c(C(C)(C)C)noc2C)C1=O)[C@@H]1CCN(C)C1=O 1854218961 KUTLTDAXLCISBQ-CABCVRRESA-N 402.495 1.740 30 10 HDEE C[C@@H]1CN(CCn2nccn2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1855244879 RULDJRNVMOCMQQ-OAHLLOKOSA-N 401.430 1.874 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2ccc(N3CCOCC3)nn2)C1 1855463005 CIXVXYBNENDYLJ-ROUUACIJSA-N 413.522 1.733 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nnc([C@@H]2CCOC2)o1 1855823273 PCPGUMIGKROHFA-MRXNPFEDSA-N 409.446 1.708 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CSc3ccccc3)C2=O)C1 1857108485 VAHKTZAWZBCDRT-GOSISDBHSA-N 408.483 1.936 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cccn3)C2)CC1 1857236388 FQRJAMPTYULXKF-KRWDZBQOSA-N 406.490 1.795 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857240106 JSYYZHUKARYCNR-APWZRJJASA-N 401.482 1.852 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnc3ccccc3n2)C1)[C@@H]1CCN(C)C1=O 1857276518 CJHMWBNFAKSATH-HNAYVOBHSA-N 407.474 1.337 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862751162 JZXHIYALQXHXPD-INIZCTEOSA-N 400.343 1.577 30 10 HDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870681380 FAYSOTXWPAWADA-UHFFFAOYSA-N 420.510 1.213 30 10 HDEE COCC[C@](C)(O)CNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1889419995 AIZKBAUEZMVVPF-ZJOUEHCJSA-N 419.547 1.855 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)nc2ncnn12 1891433414 CFJDSBOUFIBOEE-ZDUSSCGKSA-N 406.450 1.767 30 10 HDEE C[C@@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985101488 SZPGENSTKZIODE-LLVKDONJSA-N 408.264 1.559 30 10 HDEE C#CCOCCOCC[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074704365 GRUPDZSNLMEBMJ-UULLZXFKSA-N 411.476 1.171 30 10 HDEE Cn1nc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)cc1Br 2102367472 FLBVBLUHOGNPNP-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 2124701413 KYCSXSGASKVXMP-GFCCVEGCSA-N 401.510 1.318 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2 2126354282 AXOSLYSZAAYNGX-ZDUSSCGKSA-N 405.542 1.831 30 10 HDEE C#CCOCCOCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2133332877 YDFRHELJWFBHLZ-UHFFFAOYSA-N 422.503 1.039 30 10 HDEE C#C[C@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2150258245 AJZBTDXPXOKZQM-VIFPVBQESA-N 405.213 1.633 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](CCNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174786044 FZWYKRRLMALYFF-GASCZTMLSA-N 401.529 1.920 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)([C@@H](CS(=O)(=O)N2CCOCC2)NCC)C1 2197747783 GWLOFSHJMKJFRI-OAHLLOKOSA-N 403.545 1.240 30 10 HDEE Cc1nc(=NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)s[nH]1 2267417424 COWAENDSUADEMM-UHFFFAOYSA-N 401.344 1.738 30 10 HDEE CC(C)[C@H](CN)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267702980 OKFFPMNXMSKGFP-NSHDSACASA-N 408.782 1.962 30 10 HDEE Cc1nc(S(=O)(=O)NCC(Cl)=CCl)c(B2OC(C)(C)C(C)(C)O2)n1C 2278731250 WODKTSDZRCVBEE-UHFFFAOYSA-N 410.132 1.625 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CNCC[C@H]3CO)c2Cl)OC1(C)C 2281937013 UULFCKLPKFNDCO-JQWIXIFHSA-N 400.737 1.401 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](CO)C[C@H]3CO)sc2Cl)OC1(C)C 2281961789 QRLIHRGECXUGPK-QWRGUYRKSA-N 401.721 1.516 30 10 HDEE Cc1nc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282027278 OFJZVSKRBACSOM-NSHDSACASA-N 400.331 1.010 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282063367 KTXWDDYPWNJCLO-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCC3SCCS3)c2)OC1(C)C 2282297359 KJSHCMDJQWHJLM-UHFFFAOYSA-N 416.399 1.855 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@@H]4CO)cc2Cl)OC1(C)C 2282315008 IIKCFUGHZRBMSD-FOGDFJRCSA-N 419.761 1.702 30 10 HDEE CN([C@H]1CCCSC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330019 UPPSKSDSVDTOGC-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2282341192 PADUOUNQGPOQMH-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@](C)(O)C2)OC1(C)C 2282502360 JZTFRVQAIKXDFK-INIZCTEOSA-N 402.347 1.119 30 10 HDEE C=CCSCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282510900 GGIJTKIGORGBLM-UHFFFAOYSA-N 401.363 1.225 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CC[C@H]3[C@@H]4N)cc2Cl)OC1(C)C 2282840022 CGSZNDVTMWUTEA-SUZMYJTESA-N 418.777 1.811 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282857121 CYXIDEPGJWEIMS-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1)B1OC(C)(C)C(C)(C)O1 2282870547 UHYKVUDFBNCRSE-ZDUSSCGKSA-N 407.363 1.449 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(C(=O)O)CC2)OC1(C)C 2284409113 FKQDGWHTNPHYTK-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE C[S@@](=O)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(F)cc2Cl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c1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)c2C)nn1 23571685 FOBLVOMNWOKERS-JLTOFOAXSA-N 414.466 1.969 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)CC1 30327832 ZZNWJLOFWKPPAM-UHFFFAOYSA-N 423.869 1.550 30 10 HDEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105285522 LSRFDZUTZOKPRH-UHFFFAOYSA-N 413.503 1.522 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 109330906 GKKYOFKNERFZSY-UHFFFAOYSA-N 411.437 1.015 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccnc2OCCOC)ccc1F 110865319 SAXAGUOAYMEJNH-UHFFFAOYSA-N 409.439 1.963 30 10 HDEE Cc1ccc(O)c[n+]1/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/S)NCC(=O)N(C)C 139910529 RWXOWHFPHGXUFI-UHFFFAOYSA-O 417.467 1.513 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 409475846 FDNGUAUMBXNWNQ-IRXDYDNUSA-N 400.932 1.782 30 10 HDEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 409725657 HXNWGMYYJVRTJP-HOTGVXAUSA-N 410.478 1.411 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](c2ccnc(N)n2)C1 429724010 VTVSCHBXJCOUHM-HNNXBMFYSA-N 402.462 1.934 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cncc(-c3ccc4c(c3)CCO4)c2)CC1 432820979 IGGMWRWVMAAUMY-UHFFFAOYSA-N 406.486 1.744 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCOc1ccc(C#N)cc1 440241039 RWGSWVFQXGAHSV-VQHPVUNQSA-N 401.419 1.072 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 440990063 UORABBSDWYTTRT-UHFFFAOYSA-N 419.551 1.756 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1cc(Cl)ccc1C#N 441237310 RZFADKMBFMJPQO-SRABZTEZSA-N 405.838 1.575 30 10 HDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2ccc(C#N)cn2)CC1 497487387 AWUUIQDWKVCAPG-UHFFFAOYSA-N 404.474 1.839 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C2CC2)C1 508498960 WMIJFGFIEDIGIF-GOSISDBHSA-N 417.535 1.997 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1ccnn1C 508945055 INUAGNBOYLBBFH-UHFFFAOYSA-N 415.523 1.751 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1 518621551 YOYKDOFOBICWDL-UHFFFAOYSA-N 410.522 1.712 30 10 HDEE C=CCN(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 522007412 HETXYWMPVZVBRP-LJQANCHMSA-N 400.523 1.260 30 10 HDEE C[C@H](C#N)CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 533597219 XSZOOBHRCODKOM-OAHLLOKOSA-N 406.508 1.270 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)Cc2cnc3ccc(C#N)cn23)c1 538811881 LUGMHPHOJLYPMH-UHFFFAOYSA-N 404.434 1.831 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541098859 POPCVUGDZYGTHC-CYBMUJFWSA-N 408.871 1.553 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnc(C3CC3)n2C2CC2)CC1 542089972 CFHQTTQLFMDVDH-UHFFFAOYSA-N 412.519 1.869 30 10 HDEE C=CCn1c(Cc2noc(-c3ccc4nc(O)n(C)c4c3)n2)nnc1N1CCOCC1 544308437 OMHBYPSZZCXRGS-UHFFFAOYSA-N 422.449 1.534 30 10 HDEE C[C@H](C(=O)NCC(=O)Nc1ccc(I)cc1)n1cnc(C#N)n1 551338041 LOVNSYGWEYUJKV-SECBINFHSA-N 424.202 1.070 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1 559371509 LPZBNBNFZVCQGP-GOEBONIOSA-N 407.517 1.613 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 561560149 CHXUOBJYBIYBSS-INIZCTEOSA-N 405.501 1.608 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)c1 584552383 YPJABRREIWNJQT-FGTMMUONSA-N 404.492 1.496 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 603799750 SQVQXAPUEKMRFG-QGZVFWFLSA-N 409.511 1.179 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 611032373 PZSIGIYIPCGOPG-UHFFFAOYSA-N 417.447 1.984 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)C1=O 623224381 HVOZZTPJDFYEOZ-OKILXGFUSA-N 400.435 1.216 30 10 HDEE O=C1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CN1CC(F)(F)F 683137112 PKOKGDUSSXOCRI-UHFFFAOYSA-N 424.248 1.636 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCN2CCOC2=O)cc1 728390582 KOIMTFQKMSDPOG-LTGZKZEYSA-N 423.495 1.463 30 10 HDEE C#CCN(C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 729335982 YLTGLLXDWRTWIO-QGZVFWFLSA-N 407.511 1.230 30 10 HDEE C#CCOc1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)c1 730995226 CDPIMSFPIJGPKK-CQSZACIVSA-N 414.439 1.937 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1 732440911 CQMCCERCJWVMJF-NCJSADBTSA-N 412.425 1.474 30 10 HDEE COc1ccc(Br)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732670461 QOGMJOLSWQIIPJ-ZDUSSCGKSA-N 400.298 1.819 30 10 HDEE C[C@H](CC#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 733711047 SIJCFIISECRAFK-LLVKDONJSA-N 417.281 1.929 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735294811 KABBAQSQOYMSRW-UHFFFAOYSA-N 421.434 1.026 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 737304715 AWBCQZYMBBCNGG-CCEZHUSRSA-N 421.251 1.339 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)CC1 739063872 MGCNEVHUFZPNHI-UHFFFAOYSA-N 410.518 1.710 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C#N)cc1 740211096 LZPLOMJCVRDGSJ-OAHLLOKOSA-N 408.819 1.930 30 10 HDEE C[C@@H](CONC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 767161676 BFYJQEJZBTUUQO-ZDUSSCGKSA-N 411.480 1.434 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 774144008 FLRLIVDGUABQQJ-QGZVFWFLSA-N 408.520 1.858 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 774836854 SRJXQANKIHHFIS-CYBMUJFWSA-N 417.535 1.603 30 10 HDEE N#Cc1c(F)cccc1C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 778369350 BYABNILRSXQKGH-UHFFFAOYSA-N 401.419 1.900 30 10 HDEE C=C[C@@](C)(CCOC)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 784613505 BEGDUBQKBBHGFZ-IBGZPJMESA-N 413.540 1.901 30 10 HDEE CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 787055707 BSLRQUUOKXVEKD-MJGOQNOKSA-N 406.398 1.898 30 10 HDEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cnn3ccccc23)n1 789967375 LFTIHIQCIYTPAW-OAHLLOKOSA-N 408.491 1.955 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(C(N)=O)cc1 794443543 YWBXHIHROKXRQH-CJNGLKHVSA-N 419.551 1.583 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 797234301 OPFYEAYVQJMLTQ-UHFFFAOYSA-N 401.419 1.594 30 10 HDEE C[C@@H](C(=O)O[C@H](C)C(=O)N(C)CCOc1ccc(Cl)cc1)n1cnc(C#N)n1 798740694 AMCJFDHBYWMOAA-QWHCGFSZSA-N 405.842 1.833 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 803523364 ONQVJXKOKINBEZ-INIZCTEOSA-N 404.470 1.559 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)ccc2c1=O 803566201 RHOMADLJEPAUEV-BBRMVZONSA-N 405.520 1.759 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 804880602 JOHUVUPNRNUJIK-SJORKVTESA-N 417.462 1.603 30 10 HDEE CCOC(=O)CC(C)(C)C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 807972304 BHLVAXQEMMYGBR-UHFFFAOYSA-N 411.528 1.395 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@@](C)(c3ccc(F)cc3)C2=O)n1 811770135 MRJSWKJULOBFDG-QFIPXVFZSA-N 412.465 1.778 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ncc(Br)cn2)n1 814441551 JZNPSBWJRLVELP-CYBMUJFWSA-N 421.299 1.988 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3cnccc3C#N)CC2)=NO1 816995311 QKGLSSSXSPDRSY-HNNXBMFYSA-N 414.466 1.271 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849593062 ARFDZHSFIMOKMO-SFTDATJTSA-N 421.549 1.849 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cn(CCO)nc1C1CCOCC1 856605971 ITFMXULPHJJJEB-UHFFFAOYSA-N 412.490 1.930 30 10 HDEE CCCN(C(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914680213 RYDHRVXWZSOZHV-ZOBUZTSGSA-N 422.503 1.683 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(Cl)c(C#N)s1 1128932901 AIZFRMZWJCDDIY-UHFFFAOYSA-N 415.884 1.280 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CN3CCNC3=O)CC2)ccc1F 1134490578 RRNCDJXKPPRWGQ-UHFFFAOYSA-N 424.498 1.167 30 10 HDEE COc1ccc(Cn2cc(C(=O)NCc3ccc(C(=O)NO)cc3)cn2)cc1OC 1139227602 RJFOFIMOIJKWLX-UHFFFAOYSA-N 410.430 1.998 30 10 HDEE CCOCn1nc(C)c(C[C@@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 1144429643 XIKSXGOTDCVKQD-UXRKVSLXSA-N 403.483 1.315 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1nccc2c(S(N)(=O)=O)cccc12)C(=O)OCC 1151573221 CDHBDFSTXRAIJQ-CYBMUJFWSA-N 411.867 1.686 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCN(CC(F)F)C2)cc1S(=O)(=O)NCC#N 1153099394 RTBZKBSXMAHINO-CYBMUJFWSA-N 400.451 1.114 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(CN3CCOCC3)C2)nnc1-c1ccco1 1159447918 GJUQPWJHSQQTCQ-UHFFFAOYSA-N 417.535 1.997 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)C1 1178282399 ZPKNVDOVQNQCOB-ACHSLPGTSA-N 408.296 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196703758 GXGAHXGMFXBTNB-QGZVFWFLSA-N 415.899 1.862 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248374844 FVKJKELSDNDSNR-HNNXBMFYSA-N 413.507 1.101 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1270235018 IDLZWQGWJWGYIZ-MRXNPFEDSA-N 412.877 1.553 30 10 HDEE C#CCOc1ccc(CNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)cc1 1273117900 FQCKLPHJXUBLEO-UHFFFAOYSA-N 421.515 1.852 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NCC)CC1 1286346341 RTFACRDXBDRIDT-UHFFFAOYSA-N 424.505 1.981 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1286377393 XASAYPAMJLPVQG-QGZVFWFLSA-N 417.535 1.371 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286394963 QIGNDKCWQNZSPB-MSOLQXFVSA-N 422.551 1.225 30 10 HDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCOC)CC1 1286481369 UPUVQLOEUGWPNT-UHFFFAOYSA-N 424.553 1.244 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286509481 REFDKJAWDMOPKG-MRXNPFEDSA-N 405.568 1.843 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286713010 RIVHYUIWFOUEEB-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1OC 1286772406 CWGRRMHVGQGSKI-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1286778941 BWTBRDCCOJLOFH-HNNXBMFYSA-N 418.404 1.577 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cscn2)nnc1[C@]1(OC(C)C)CCOC1 1286793443 XZPNHPWFNNMPQJ-IBGZPJMESA-N 420.539 1.714 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286793551 HFBSMZGOPNEGLM-OVWQWFNUSA-N 407.515 1.308 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC)C1 1286804216 JIKAFNBOYIBDSO-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1286824404 XIONNXXJZRNEMW-RHSMWYFYSA-N 412.585 1.938 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1287013245 ZERJVQCJFZSGIR-WBVHZDCISA-N 414.485 1.788 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)n1 1290646058 FIKGNODAHKBKAQ-MRXNPFEDSA-N 414.514 1.173 30 10 HDEE Cc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1290856441 FUERBRWSDCKPIE-LJQANCHMSA-N 405.462 1.448 30 10 HDEE CC[C@@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1292366203 VQHKAGOULBEUPR-KCQYIYACSA-N 414.510 1.762 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)c2S1(=O)=O 1293019243 GNAWOTWXRQSTQY-LBPRGKRZSA-N 414.274 1.819 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(c3nncn3C)CC2)CCCN1C(=O)OC(C)(C)C 1300147732 LVJOCDBPIYPAQI-FQEVSTJZSA-N 402.499 1.257 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300499802 XEKDOXSQFMCWNJ-RBUKOAKNSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1300572382 UATSHZKHAFFPEL-UHFFFAOYSA-N 414.473 1.454 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@@H]1C 1300733458 JWMLCPLIRJYJNE-MELADBBJSA-N 417.626 1.585 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1301578269 VCGTUXCKAUYHAC-AWEZNQCLSA-N 421.498 1.387 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCO1 1301806640 NTSDWCLICJLJKE-AWEZNQCLSA-N 402.455 1.551 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1301953103 QEQGFKUVKIDFMF-JKSUJKDBSA-N 419.493 1.980 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC#CCN(C)C)cc2)cc1 1302296049 ZKSXCNUIAWELHI-UHFFFAOYSA-N 413.499 1.985 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1 1302312075 VPKBLMXTJQDUAP-UHOSZYNNSA-N 413.478 1.810 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1302319722 CDMOPOVAIOPHER-LJAQVGFWSA-N 414.535 1.690 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCOCC2)CCO1 1303009112 FMMQLTGSSRJATG-IBGZPJMESA-N 424.505 1.041 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccs1 1303012231 ACZNKPVIUBQCEH-AWEZNQCLSA-N 406.537 1.815 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CN=[S@](C)(=O)N(C)C)CC2)c1 1308147377 DJAYYCUQWNKKFY-LJAQVGFWSA-N 419.551 1.602 30 10 HDEE C=CCn1cc(CNC(=O)N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)nn1 1312898632 RCFFXTDXSXSOAP-IBGZPJMESA-N 406.487 1.386 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1cnn(C)c1 1314638456 DVMABWKMJGIKSC-SFHVURJKSA-N 404.478 1.980 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOCC2CC2)C1 1314923677 NQVQLDXDCUYNPV-JOCHJYFZSA-N 410.522 1.746 30 10 HDEE C#CCOc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCN(C)C)cc1 1350640063 XIVPDWCICMOOIQ-QFIPXVFZSA-N 405.498 1.944 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1358967841 UHAGBQOAABADCO-JENIJYKNSA-N 422.551 1.423 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(C2CC2)C1 1359018328 LZEDUQDMZDMVCE-KRWDZBQOSA-N 423.521 1.496 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2c(C)noc2C)CC1 1359037734 VHVRZUCROZFLRF-UHFFFAOYSA-N 405.506 1.867 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359040822 HCVDFQMGUYWMGM-MSOLQXFVSA-N 403.527 1.419 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOC)CC1 1359047795 UCIMANLNFRMIEE-QZTJIDSGSA-N 417.554 1.809 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCC2)CC1 1359060006 HAQBYSMAFCGIEK-UHFFFAOYSA-N 416.595 1.832 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 1359068607 HYDYGIVSEDIPOF-JOCHJYFZSA-N 408.554 1.753 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CC1 1359107880 XJCCWSPUMFDQGC-ZJWNCGCPSA-N 403.574 1.202 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1359241409 PRPQRCSOQGPBPP-INIZCTEOSA-N 417.514 1.991 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359299355 CRBGQIGXRUZAGY-UHFFFAOYSA-N 415.542 1.576 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1360480635 DJYWJYXPPXECKK-RDJZCZTQSA-N 409.494 1.790 30 10 HDEE CC(C)[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360672427 RDRIUCBOHIFQQX-KBPBESRZSA-N 406.512 1.884 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)[C@H]1c1ccnn1C 1439737037 FQNSRHOXQGGLPC-NRSPTQNISA-N 423.473 1.180 30 10 HDEE O=C(N[C@@H](CO)C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1cccc(F)n1 1443897660 NWYHMZITJFIVJO-VIFPVBQESA-N 417.281 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1447477553 ODDIGUQJYWKFSG-NRFANRHFSA-N 401.463 1.910 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)s1 1454657645 ZSWQGJDJQJHRNT-KDOFPFPSSA-N 423.516 1.502 30 10 HDEE C#CC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCCC1 1455184957 HOHAEQJAYMYBSY-OAGGEKHMSA-N 410.536 1.719 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC2(CCOCC2)CC[C@@H]1CO 1456062637 SVDFZBYXHBRNBN-GOSISDBHSA-N 411.506 1.931 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCCc4nc(C#N)ccc43)ccc21 1461273566 DODMLUGHSWEMTF-UHFFFAOYSA-N 403.442 1.571 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ncnn2C1 1462401327 HXDLFLBYFYQTDE-CQSZACIVSA-N 414.491 1.233 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)c1 1464256873 BMXBXWGILDCUQM-QWEZLZDISA-N 401.492 1.966 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OCC 1468125006 IORKLTFDVHORFZ-HNNXBMFYSA-N 408.476 1.867 30 10 HDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3cccc(F)c3)CCOCC2)c1 1470222759 KERPXJPLJPASDU-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1475429230 RJSTZOFLOGRNPS-UHFFFAOYSA-N 423.472 1.175 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cc3c(cc2Br)CCC3)c(=O)nc1O 1476501587 AWKZABKNBNRDLE-UHFFFAOYSA-N 418.251 1.893 30 10 HDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1492711640 ADXDZWXAPBWIQN-HNNXBMFYSA-N 422.493 1.634 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1492907589 DDONRDZMKGNWOE-UHFFFAOYSA-N 406.450 1.203 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1504602031 ZQWDYEVLXHDCHF-RDTXWAMCSA-N 400.458 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C1CC1 1507522059 ANKHHVCMRFAUQR-JKSUJKDBSA-N 405.510 1.861 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507558370 WQKRWZGVMDAKLU-LSDHHAIUSA-N 411.528 1.081 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1507605202 RJLRSSMIVOBMLU-GHTZIAJQSA-N 405.543 1.356 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507609208 YOECRCVIKCXOBD-UHFFFAOYSA-N 417.517 1.810 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCn2cc(Cl)cn2)CC1 1507719695 PQFVSLZICIDBFG-INIZCTEOSA-N 421.933 1.307 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2c(CC)nn(C)c2OC)CC1 1507742558 LRQLWECZZFISJS-UHFFFAOYSA-N 413.526 1.159 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507757267 WQOHACXYLDSEQK-QZTJIDSGSA-N 410.547 1.878 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CCO1 1508373343 ATPOOGCWYZTUTD-UGKGYDQZSA-N 424.505 1.727 30 10 HDEE CCN1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1=O 1515882455 SFMARSHSLAYUSK-UHFFFAOYSA-N 411.466 1.086 30 10 HDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nn1 1521296883 YWJOHXVDXWEBDK-UHFFFAOYSA-N 421.479 1.136 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(=O)n(C)cc2Br)n1 1525227018 XUPKDGQSWRNMOV-UHFFFAOYSA-N 407.268 1.266 30 10 HDEE CC(C)(C(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1cc(F)cc(C#N)c1 1534508458 OHBDLDFZTYHGFC-UHFFFAOYSA-N 410.449 1.524 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1539363146 NCYKSPAMRPYPFV-OAHLLOKOSA-N 420.539 1.359 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539517044 HFLVYDKCZFPGQF-KZNAEPCWSA-N 406.552 1.923 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1539744805 XIWASWUPDGPDEK-HXUWFJFHSA-N 416.482 1.300 30 10 HDEE C=C(C)COCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1539759400 GXWNFBLKVKONFM-OAQYLSRUSA-N 421.542 1.582 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2)C1CC1 1540095869 YGABYIDZTDKIBH-HUUCEWRRSA-N 409.556 1.860 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1540724841 WQMSSNDYTDMQLK-QGZVFWFLSA-N 423.535 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540866994 HINYPCHCLWPKCW-GOSISDBHSA-N 424.549 1.937 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)ccc1F 1540869349 JZPRTDKMDJMAOU-INIZCTEOSA-N 400.458 1.615 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2[C@@H]2CCCO2)nnc1[C@]1(OCC)CCOC1 1540876534 UVROJJFJZYTKHK-WWMYMODYSA-N 419.526 1.380 30 10 HDEE N#Cc1cc(NC(=O)c2ccnc(N3CCOCC3)n2)ccc1N1CCC(O)CC1 1545718390 FRPCZXAUEVKHKN-UHFFFAOYSA-N 408.462 1.398 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccnc3c2CC(=O)N3)n1 1546216258 LSTDWQLKOMHQAT-UHFFFAOYSA-N 413.488 1.942 30 10 HDEE CCN(CC)C(=O)CCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1547406749 HPCVSZNHGLVGKR-HXUWFJFHSA-N 419.505 1.605 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1548184733 BVCCPLFYFWHPBF-QGZVFWFLSA-N 419.507 1.136 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCOC[C@H]1OC 1555728213 IRPUUAKNBXIFEW-ICUGJSFKSA-N 407.515 1.792 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccccc2NC1=O 1557295059 BLKDIZPLBGPIJG-ACJLOTCBSA-N 412.471 1.295 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(CC)cc3)n2)CC1 1558073067 LEHNGTOTIIIWHJ-UHFFFAOYSA-N 418.544 1.598 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2nc(C)cc(O)n2)C1 1558349511 IUPMPIDZBJHIBA-CABCVRRESA-N 403.483 1.492 30 10 HDEE C#CCN(C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C1CCN(C)CC1 1558507747 ULBPBHJKGFZLNZ-UHFFFAOYSA-N 412.534 1.497 30 10 HDEE Cc1ccc(-c2noc(CCCN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1F 1560194276 STVHMUGULWXBAZ-HNAYVOBHSA-N 404.467 1.987 30 10 HDEE CC1(C)[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H]1OCc1ccccc1 1564615862 CJDKVUSFOYHEGX-ZWKOTPCHSA-N 423.473 1.771 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccc(O)cc2)c1 1566369592 MHVZRLMXBHRPRP-UHFFFAOYSA-N 400.456 1.349 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2(c3ccccc3)CCN(C(=O)C=C)CC2)CC1 1568077422 WUYGJGYZNOOQIU-UHFFFAOYSA-N 407.514 1.721 30 10 HDEE CO[C@@]1(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)C1 1568492121 CBPNWSXARVABED-WMZOPIPTSA-N 411.911 1.253 30 10 HDEE CN1CC[C@](Cc2ccccc2)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 1569815845 QBGMOEZVRYBROI-HSZRJFAPSA-N 403.486 1.693 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CC1 1583038910 XOVAFVTZZQZYGH-HZPDHXFCSA-N 413.540 1.999 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCn2ccnc21 1588089898 QOBLSIXKYPVUBI-AVRDEDQJSA-N 408.506 1.777 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1 1588199495 RAJXLNVRVYUMGE-UHFFFAOYSA-N 409.577 1.853 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1593649660 AIIBGZXMAFJGJE-UHFFFAOYSA-N 418.505 1.661 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1595381838 ZHCZUMQEOOSHMF-ROUUACIJSA-N 424.553 1.738 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC=C)C1 1595705572 BDICFUUVORNQTQ-INIZCTEOSA-N 403.508 1.722 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccnn2)CC1 1595877879 CKDNUYUHZBYUFT-OAHLLOKOSA-N 414.539 1.265 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCn2nncc2C1 1596349989 PENBMYCOMWRRDI-MRXNPFEDSA-N 416.507 1.164 30 10 HDEE Cn1cc(C(=O)Nc2ncc3c(c2C#N)COCC3)c(I)n1 1598020546 BBRMHYYMIFSIFC-UHFFFAOYSA-N 409.187 1.616 30 10 HDEE CC(C)[C@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1602997238 NCMLOZILKDBOFT-OSCRUYLVSA-N 424.509 1.830 30 10 HDEE COc1ccccc1-n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1611164720 HBVVDXNEOHCZNG-LIRRHRJNSA-N 400.460 1.200 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612948935 RBAWSZRFIWTDID-KGLIPLIRSA-N 419.507 1.697 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC[C@@](C#N)(c3ccccn3)C2)CCC1 1620483634 XADDOBYHMMUKRW-ICSRJNTNSA-N 420.579 1.940 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1)C(=O)OCC 1622449428 SQGNQMNSRVQSBQ-GFCCVEGCSA-N 420.871 1.124 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1623250256 BJOOXOGSKLUWDM-UHFFFAOYSA-N 414.325 1.650 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1623648908 GRZCBQFWMQKCHD-ZDUSSCGKSA-N 417.325 1.858 30 10 HDEE C#CC[C@H](COC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1623660005 XTCJEWLEVKRFGY-PBHICJAKSA-N 409.464 1.293 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)cc1 1626470750 DSBKVJZLEPNYFI-FXAWDEMLSA-N 405.520 1.832 30 10 HDEE CN(C)C(=O)[C@H]1CSCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1627353473 NVVVRUROUMIBAW-YCTJDYOESA-N 422.551 1.763 30 10 HDEE CN(CC(=O)Nc1nc2n(c1C#N)CCOC2)C(=O)c1ccc(Br)o1 1627627807 AYVUNIYITBOJBG-UHFFFAOYSA-N 408.212 1.351 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1627740058 QDYVBYCLZPUPDK-UHFFFAOYSA-N 404.463 1.934 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(NS(C)(=O)=O)CC1 1629482525 VTYJACTVIGPRPG-CQSZACIVSA-N 402.517 1.114 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCc2nc(-c3ccccc3)ncc2C1 1633522916 UFVYXAQBCZDNBR-QGZVFWFLSA-N 400.504 1.901 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1634674640 VJIBNABCRGAMEW-SJORKVTESA-N 406.527 1.898 30 10 HDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1635937644 DFLTWJJGYUHHLN-ZREAOVPFSA-N 412.490 1.229 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 1636180286 LYIUVAYFYRLIHG-CABCVRRESA-N 401.529 1.176 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2cc(C#N)ccc2O)C1 1637620550 VJFULZDBOGSSNB-ZDUSSCGKSA-N 409.464 1.627 30 10 HDEE N#Cc1c(CCCNC(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)nn(-c2ccccc2)c1N 1638295886 SZYHSVWBKVVEFK-OGWOLHLISA-N 410.478 1.362 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 1638397747 MTABGRBCYYZEPM-INIZCTEOSA-N 414.535 1.723 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)Cc1ccc(C#N)cc1 1638851080 SUUYUAJVPXFJFY-CQSZACIVSA-N 417.535 1.713 30 10 HDEE COc1cc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)ccc1C#N 1640206724 RJZVTUOLYFOKJJ-MRXNPFEDSA-N 423.878 1.176 30 10 HDEE N#CC1(CNC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CCCC1 1640671503 MXNAKTORDQRGBD-UHFFFAOYSA-N 411.549 1.955 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)c1 1642023791 RAKCHUOVVMTBHM-UHFFFAOYSA-N 403.508 1.696 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2nc(-c3ccc(F)cc3)cs2)CC1 1644285252 MEJLVMPUFCBUJZ-UHFFFAOYSA-N 422.507 1.104 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](n2nncc2I)C1 1644374383 JLNIZHDWYHFSQP-NSHDSACASA-N 418.235 1.556 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1644595432 AVCFVKMNZXTROA-OAHLLOKOSA-N 423.510 1.306 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)CC1 1644948884 VYMDVKKLVSKFLS-IBGZPJMESA-N 403.548 1.517 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)c1 1645506524 JMSUYKQPVHAZRC-SFHVURJKSA-N 418.446 1.251 30 10 HDEE N#Cc1csc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)n1 1645702359 BDYNTXNIJMPMAN-UHFFFAOYSA-N 412.518 1.152 30 10 HDEE CC(C)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(C)c1 1648220309 BPUXTDDIQOOSAZ-GOSISDBHSA-N 403.508 1.752 30 10 HDEE COc1ccc(F)cc1CCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1651940444 BYSFSCLOFDNIPZ-ZDUSSCGKSA-N 405.451 1.732 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653199798 JCJAQWYZPZNBSS-CGAVASTGSA-N 404.488 1.061 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1654229469 NQAWKTAAVWLRFS-OXJNMPFZSA-N 420.535 1.111 30 10 HDEE CC1CCN(Cc2csc(NC(=O)CN3CCN(C(=O)CC#N)CC3)n2)CC1 1654491211 LCINBVMUNOAAIJ-UHFFFAOYSA-N 404.540 1.371 30 10 HDEE N#Cc1ccc(NC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1656530850 QIGMFKFEEFPUIL-CZUORRHYSA-N 401.410 1.938 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)C1 1656883387 CKDFYDOFWCOIGX-SNVBAGLBSA-N 413.297 1.407 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1660104395 WZKUHCWNRCLULQ-PYCORMQUSA-N 421.538 1.837 30 10 HDEE C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1664316455 FAYYCBKJTAENJX-SNVBAGLBSA-N 411.427 1.592 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)cc1 1667955982 HDSBPDUDKUBIEW-UKRRQHHQSA-N 415.537 1.580 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OC(C)(C)CC3=O)CC1 1672249683 NWFIZSLBRCLGFS-UHFFFAOYSA-N 420.491 1.048 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)CC1 1672694944 YVRVVYJMVXQNGQ-UHFFFAOYSA-N 423.514 1.433 30 10 HDEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)c1ccc(Cl)cc1F 1674035688 DHHZWUBAKFRBBQ-HNNXBMFYSA-N 402.879 1.381 30 10 HDEE C#CC[C@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1675890684 IGIMXGFYZQGGLA-KRWDZBQOSA-N 405.520 1.403 30 10 HDEE COC(=O)[C@H]1CN(C(=O)NCC(C)(C)CC#N)CC12CN(C(=O)OC(C)(C)C)C2 1683046769 SDKYDDBVSGKGFK-CQSZACIVSA-N 408.499 1.978 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1689950848 DIOZOQSOAYBTPS-UHFFFAOYSA-N 406.468 1.251 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)c(OC)c1 1689998714 UODAEMVMKQLZHY-UHFFFAOYSA-N 409.490 1.749 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccn1C(F)F 1690003633 SOMQKMIMSHWNIC-LJQANCHMSA-N 404.421 1.643 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690029436 BNJOBWNKFBLLMA-RBUKOAKNSA-N 412.538 1.145 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1690072796 ULFCNTPTACRUNX-LJQANCHMSA-N 404.540 1.859 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CC=CCC2)CC1 1690129044 NOVNAKACKMBARJ-UHFFFAOYSA-N 411.579 1.651 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@](C)(O)CCOC)CC1 1690130683 LTWKSCSCTHCWST-HSZRJFAPSA-N 411.550 1.606 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)CC1 1690364651 VDZCEDCXZDPMBK-CQSZACIVSA-N 410.544 1.104 30 10 HDEE C=CCn1c(Cc2ccsc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690646870 ZGEAFAOUCGVOMU-MRXNPFEDSA-N 400.508 1.883 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690994237 YNLVNFHEEVTICU-JXXFODFXSA-N 402.499 1.448 30 10 HDEE CC1=CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1693292767 JWBFYCQYSDULHL-ZPHPHTNESA-N 408.466 1.361 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1)[C@@H]1CCOC1 1696630823 JDTIYOYEGVHCCP-MRXNPFEDSA-N 406.450 1.195 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1705567624 XRMJSGWFJNSTQN-DOTOQJQBSA-N 419.507 1.491 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nccn1C(F)F 1705587589 BCJBQVIIFOAFRV-HOCLYGCPSA-N 404.421 1.715 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1705588168 YDXZYMGKRUOFLD-PXNSSMCTSA-N 423.521 1.441 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H](OC)C(C)(C)C)CC1 1705634613 DCUCNKDVOUHPKO-QZTJIDSGSA-N 407.559 1.818 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2OCCC2(C)C)CC1 1705642201 KJERYCXCIJDOSZ-LJQANCHMSA-N 411.554 1.710 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1705883427 ICWWMZUNMSGNOC-UHFFFAOYSA-N 413.526 1.143 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705909074 MFPBHTMTUVNTTF-MRXNPFEDSA-N 423.477 1.717 30 10 HDEE CCc1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709061886 OQPPQQQNOCZCNK-APQWFKGBSA-N 400.483 1.371 30 10 HDEE COCCOCCCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1712610605 CQXAZPFXTXORDZ-UHFFFAOYSA-N 415.498 1.703 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722334065 SNSRHSSRSHAFMY-IRXDYDNUSA-N 409.556 1.699 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CSC)cc1 1722344183 HSRNWMWYROPROG-CQSZACIVSA-N 407.565 1.869 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2nnc3n2CCCCC3)CC1 1722438022 RRQUZMXFXHKAGN-UHFFFAOYSA-N 410.570 1.988 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCSCC2)CC1 1722439311 XKYIAIIGZPDDPN-UHFFFAOYSA-N 411.579 1.068 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOCC1 1722505540 KJTOWRGGROIYLD-MJGOQNOKSA-N 413.526 1.485 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722507783 PWSHAINLUXAPBG-ZOBUZTSGSA-N 400.483 1.659 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722537522 CAHCAXIVIPMLTJ-OAHLLOKOSA-N 418.498 1.243 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722629618 MTXQEKDHVJZAQH-AEFFLSMTSA-N 402.499 1.686 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccc1O 1722697602 NFEAWAJMEUAYTF-UHFFFAOYSA-N 424.461 1.650 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722730151 KAKHCNZNDPQKMU-QGZVFWFLSA-N 420.539 1.143 30 10 HDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722742813 HYKMMVOEEVMSLP-MRXNPFEDSA-N 412.519 1.960 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2Br)n1Cc1nnn(C)n1 1722867352 UUUTUTXDGUUMMP-LLVKDONJSA-N 416.287 1.875 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1723619767 CHHPJDQDDKSYIX-CQSZACIVSA-N 420.420 1.502 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1723773093 OZFXMQPEHFUDMV-ORAYPTAESA-N 402.455 1.550 30 10 HDEE CCCCN(CC)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728050932 NNSIEJXHNUAUBE-DXQAYGFFSA-N 402.499 1.935 30 10 HDEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1728202246 GFWIZZBPBFFLHT-HXUWFJFHSA-N 413.482 1.662 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1740575371 QYHVQMNSHAOCBN-IBGZPJMESA-N 411.531 1.694 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1740598810 FHOLMQKAVMVISL-UHFFFAOYSA-N 403.446 1.403 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1740668174 FVGUJTUDASKHFN-LJQANCHMSA-N 420.517 1.859 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1740677063 PWWNAAWOUFGWEX-VGSWGCGISA-N 424.480 1.486 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)N(C)C)CC1 1740699448 HMTXKIGSHUWPQE-UHFFFAOYSA-N 410.522 1.399 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C[C@H]1CCOC1)C1CC1 1740719389 FDEVYTLTFHSZPD-MRXNPFEDSA-N 403.552 1.772 30 10 HDEE C=CCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740949832 ULYRHBPOVVQMJB-IIBYNOLFSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1740952318 ZXNBYVVBFOHEKX-AWEZNQCLSA-N 418.571 1.970 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1741726723 WJPNOOQSLFXHHK-IERDGZPVSA-N 416.526 1.727 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCCN1S(C)(=O)=O 1742856258 ORAJOEVIKINRKM-QRVBRYPASA-N 414.535 1.754 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)c1ccccc1 1748845822 AXFBXEXEWUWCSV-RTBURBONSA-N 412.515 1.641 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1748905773 JIPHMZLXVJBGKO-IRXDYDNUSA-N 424.615 1.858 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnn(CCOC)c2)CC1 1749322737 HYFIPPFCCDMVBK-UHFFFAOYSA-N 413.526 1.808 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749431116 ZERBYFQRZOWZSQ-MRXNPFEDSA-N 409.494 1.553 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(OCCN2CCCC2)CC1 1749640474 YQIBSUJOGXSQQF-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CCOCC(F)F)cc1 1750383704 ZAVNCWZEEQIEFE-HNNXBMFYSA-N 418.404 1.739 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1752445766 GSHGBVOJPBLWRU-GKCIPKSASA-N 403.433 1.990 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1760151859 QKKQZOVANAEYSP-IBGZPJMESA-N 421.549 1.886 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760175467 KHLAQNXYAATPNY-IKGGRYGDSA-N 401.490 1.198 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760521093 JITLOKQYYHDURQ-CYBMUJFWSA-N 400.487 1.032 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760521359 QPHCEOLCMVNJLA-UHFFFAOYSA-N 400.527 1.687 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1OC 1760527405 VSPLRQAIBRDUAS-UHFFFAOYSA-N 412.494 1.348 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)C1 1760531886 CXTWEZHNIRKCGB-UHFFFAOYSA-N 424.505 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCOC1 1760552272 IYHGYTKYZFTYNA-INIZCTEOSA-N 405.524 1.804 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1764820297 VGGKNZZIOKHWEL-RKVPGOIHSA-N 410.519 1.487 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCO1 1769845324 LXLNDDRQTJWRMU-HOTGVXAUSA-N 411.528 1.116 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1769996223 VWPUIPVBSQJTBU-ITEABVRESA-N 413.519 1.745 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(OC)CCOC1 1770194924 NBMWSFVQRAXKLV-FIKGOQFSSA-N 419.526 1.938 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCCCO)CCO1 1771538783 HXQJPXHVUCPXSN-KRWDZBQOSA-N 410.478 1.478 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1ON2CC1(C#N)CC1 1851452747 QFTRRBPQTYOQSO-QZTJIDSGSA-N 421.453 1.793 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3F)C2)c(C#N)c(C)[nH]1 1852021101 XAYWICZPUFDADV-SNVBAGLBSA-N 403.801 1.871 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2c(-c3nnc(C)n3C[C@H]3CCCO3)cnn2C)CC1=O 1852379142 NZXDEVRDYGOJLA-HUUCEWRRSA-N 413.482 1.139 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CCN3CCOCC3)C3(CCCC3)C2=O)cc1 1853784568 IWXRTMZFVBGNIK-UHFFFAOYSA-N 410.518 1.417 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N(C(C)C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1853859488 PBGZNWBUZHTWFL-OALUTQOASA-N 417.531 1.895 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854637396 QPMQVYBKZVPPME-HNNXBMFYSA-N 413.455 1.385 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3cnccn3)C2=O)CC1 1854743041 GPHBOVAYKOYKCB-GOSISDBHSA-N 405.462 1.087 30 10 HDEE CCS(=O)(=O)C1CN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1854886241 BRAPOSFMBCUCSJ-LJQANCHMSA-N 417.531 1.517 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C(=O)C2)C1 1854949618 IQTOJDGIEWEEKI-SJORKVTESA-N 421.542 1.291 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)c3cccc(=O)o3)C2=O)CC1 1855000203 CEOFFGSAGNFKQB-QGZVFWFLSA-N 406.442 1.917 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)COc3ccccc3F)C(=O)C2)C1 1855007534 RFFLAEGFWKJJPV-IAGOWNOFSA-N 402.470 1.642 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)CC1 1855047388 VSSVFKVQBWRZBV-AWEZNQCLSA-N 400.454 1.515 30 10 HDEE COc1cc2c(cc1OC)CN([C@H]1CCN(C(=O)c3ccnc(C#N)c3)C1=O)CC2 1855440327 RSGIMQOYQQEXJK-SFHVURJKSA-N 406.442 1.770 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(COc3ncccc3C#N)CC2)CCC1=O 1855573965 IVDXRVKIQBJLMA-GOSISDBHSA-N 414.506 1.846 30 10 HDEE C[C@@H](C(=O)N1CCCC[C@@H](N2CCC(C#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1855598199 ROZYRXBFCWBRMM-HNAYVOBHSA-N 411.506 1.825 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)cc1 1855611228 QEYVAEHQSSJUSO-GOSISDBHSA-N 415.515 1.680 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C1=O 1855994996 UNQAQBSAHLEDCN-PKOBYXMFSA-N 403.523 1.596 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)c4cncnc4)C3)CC2)cc1 1856620350 XNZZCFMSPYEZGJ-QGZVFWFLSA-N 405.458 1.880 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)Cn3cnc4c3CCCC4)C(=O)C2)C1 1856827710 DMWKTIHIJNZFLX-MOPGFXCFSA-N 413.566 1.719 30 10 HDEE CC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)CC1 1857286525 BVSOHRNJNMSYRO-IEBWSBKVSA-N 400.523 1.636 30 10 HDEE C[C@@H]1CN(C[C@H]2COCCO2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1857327932 DPVIBVZYSQVJMU-QAPCUYQASA-N 406.442 1.998 30 10 HDEE CCN1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783260 PXCMJLMFUNXWMP-SJLPKXTDSA-N 417.579 1.694 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)cc1 1870107363 GGARXARZSXRZMB-UHFFFAOYSA-N 421.442 1.694 30 10 HDEE C=CCOc1cn(CCCCCO)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870385543 BZPQOXSQEBSWEU-UHFFFAOYSA-N 413.522 1.688 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NC3CCC4(CC3)OCCO4)CC2)CC1=O 1872917666 IHDTZZYMEZNCJS-KRWDZBQOSA-N 419.522 1.061 30 10 HDEE COC[C@](C)(O)CNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1889369673 DLRLBTCGYOYDBL-CMKODMSKSA-N 405.520 1.465 30 10 HDEE CN(C)CC#CC1CCN(C(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)CC1 1889793220 VFPFTPILGBAQBG-QGZVFWFLSA-N 418.563 1.149 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1891509628 OXKUDTKWRPTKNP-UHFFFAOYSA-N 423.502 1.349 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(COc3nccnc3C#N)CC2)cs1 1891520193 BUOTWYKLUIMTIN-UHFFFAOYSA-N 412.475 1.652 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CCN1Cc1ccccc1 1914862765 OSURAPIQYPTKCW-ZDUSSCGKSA-N 407.477 1.637 30 10 HDEE C=C(Br)CS(=O)(=O)NCCCOCCNC(=O)OC(C)(C)C 1962349658 OQFCDBDKGRTKMR-UHFFFAOYSA-N 401.323 1.746 30 10 HDEE C#CCN([C@H]1CCOC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023793 VQPKQZFZFKJCOE-IFXJQAMLSA-N 408.451 1.065 30 10 HDEE CC1(C)OB(c2cncnc2N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)OC1(C)C 2052551691 IQQRCYYPMNUDFY-VQTJNVASSA-N 422.338 1.865 30 10 HDEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1C#CCN 2082324125 ZJPFNWRUZKNVFK-UHFFFAOYSA-N 417.512 1.082 30 10 HDEE C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2CC(C)=CCC(=O)[C@](C)(O)[C@@H]1OC(C)=O 2112807054 FCYRUIVZYHKCPI-RCHULGBISA-N 406.431 1.564 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N[C@@H]1CCC[C@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174781819 JIRIKLYIECEQBR-BZUAXINKSA-N 400.545 1.682 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)c1cncc(C#N)c1)C(F)(F)F 2174786382 JHMMPXYJTOJJQS-NSHDSACASA-N 408.402 1.935 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 2205587744 AXAJSDGHWVITCB-GJZGRUSLSA-N 412.537 1.891 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836302 ZXRDEMTWMROZDP-AWEZNQCLSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@H]21 2248405131 OYVHKNCEBFXWBR-PMPSAXMXSA-N 420.315 1.904 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2255951142 AAZZRQINNOMYHU-AWEZNQCLSA-N 415.342 1.621 30 10 HDEE C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704144 IZXIPPLLYIZTAB-NGZCFLSTSA-N 407.750 1.748 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@@H](C#N)CC1)NC(=O)OCc1ccccc1 2270541134 XLRNYMPJWGBIOJ-NVXWUHKLSA-N 423.491 1.410 30 10 HDEE CS[C@@H]1COC[C@@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282047169 VLUGJARAXJTHJV-VHSXEESVSA-N 401.725 1.233 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC[C@H]3N)cc2Cl)OC1(C)C 2282307086 XBPOCERVKMUUTC-GHMZBOCLSA-N 422.765 1.095 30 10 HDEE C[C@H]1CC[C@@H](CO)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282494060 WSBOFIMAANCQEP-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CO)CC(F)(F)F)OC1(C)C 2282502040 FVDSKUZSNXEEPJ-VIFPVBQESA-N 415.264 1.639 30 10 HDEE CO[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282844475 DKMSNTVBKHCDGL-AWEZNQCLSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H]3CCO)s2)OC1(C)C 2282853239 AAJZEFLKJKORHY-STQMWFEESA-N 401.359 1.877 30 10 HDEE C[C@@H]1C[C@@H](O)[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282862027 XUFIZDGLOXOMIX-YRGRVCCFSA-N 401.359 1.827 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284402632 KHAZCDHZUKFKEC-LLVKDONJSA-N 403.331 1.969 30 10 HDEE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CC1 2289602041 MLEHZEFORCIIEZ-ZDUSSCGKSA-N 403.501 1.446 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@]1(NC(=O)OC(C)(C)C)CCSC1 2342036850 HYTWTGHXHTXERG-RHSMWYFYSA-N 402.582 1.946 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](F)C2=O)c1B1OC(C)(C)C(C)(C)O1 2365717526 IKKGVVSKNVIYRE-NSHDSACASA-N 403.306 1.923 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367810727 ANPWKPSCZFTDHD-SPYBWZPUSA-N 400.541 1.483 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2370692269 AOULOIRZGUCSDC-HRLGVUPISA-N 402.557 1.537 30 10 HDEE CO[C@@H](C#C[C@@H](O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379867643 XGWLHCLYLPBSSJ-JKSUJKDBSA-N 401.525 1.590 30 10 HDEE N#Cc1cccc(OCCN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 51260589 YJYHACFJMDHNEW-UHFFFAOYSA-N 416.459 1.852 30 10 HDEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1 102597221 PMDPENFTUGMOIM-HMNTXPNISA-N 415.398 1.497 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OCC)CCC2)[C@@H]1CCS(=O)(=O)C1 111192527 QGZJIUQFOXOKBL-CYBMUJFWSA-N 424.544 1.474 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 301392575 BTQHMUWWTZUZBY-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 410073772 UQELIRMJSAMUHX-KRWDZBQOSA-N 424.519 1.317 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 428057853 JJQIRKCJBGKMLP-UHFFFAOYSA-N 400.479 1.763 30 10 HDEE Cc1nccc(N2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)n1 429925626 NGAGQMJCZNDMNB-AWEZNQCLSA-N 414.491 1.825 30 10 HDEE CC(C)C[C@H](CCO)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443691147 HFDOPBIOPGXTLT-KRWDZBQOSA-N 422.551 1.619 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cn1 462091335 SLHHHDHNIKUKDO-QFIPXVFZSA-N 417.473 1.897 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(C)C 465541415 CNLRSUVKHMWVCZ-SFHVURJKSA-N 402.543 1.311 30 10 HDEE Cc1[nH]nc(C(C)C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 479314047 JSWYQOWOXXWIAN-UHFFFAOYSA-N 401.492 1.860 30 10 HDEE CCO[C@H](C)c1noc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)n1 489615126 XIPVTNSYXVLKNF-CQSZACIVSA-N 420.495 1.249 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)CN2CCOCC2)CC1 501066514 FJSSZWISGJNQDC-RBUKOAKNSA-N 423.355 1.324 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NC(C)(C)C 506864771 KMCXSKRLZKOARJ-OAHLLOKOSA-N 420.491 1.665 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)CN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccnn1C 507425630 VZYIEBSTCURMQM-SFTDATJTSA-N 415.542 1.331 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508819471 YPVIUOVEDXKODJ-UHFFFAOYSA-N 410.522 1.537 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COCc2ccccc2)CC1 512227174 ILOILXTTZHLPOF-HXUWFJFHSA-N 415.515 1.442 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 513855703 JMJKDDWHSQPODX-UHFFFAOYSA-N 417.469 1.895 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 517662934 CMJGCNWLLQCNAF-QGZVFWFLSA-N 410.430 1.197 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 535230942 UJBBCJZEUODCQL-MFKICJERSA-N 424.505 1.349 30 10 HDEE COc1cccc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)c1 538148716 BOASGHPSOXIXOJ-SFTDATJTSA-N 400.523 1.761 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2cn(C)nc2C(F)(F)F)CC1 539241553 XHSHXHDUTGQYMM-HNNXBMFYSA-N 400.449 1.563 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 543524584 NUHZZCZIXCOXHC-GOSISDBHSA-N 406.442 1.832 30 10 HDEE COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c1C 544017913 NCNJYQMLAGYDJK-MRXNPFEDSA-N 411.510 1.854 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 545968114 YKGVSGYELGJPTD-AWEZNQCLSA-N 404.496 1.997 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@@H]1CCOC1 583612984 LCXUESOIVVGFKQ-INIZCTEOSA-N 416.507 1.006 30 10 HDEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)[C@@H]1CCCC[C@@H]1CC 603634396 NJWRMVALBHYKQV-JKSUJKDBSA-N 407.515 1.281 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2=O 608951876 YQOFYJGHQOOHCU-UHFFFAOYSA-N 424.505 1.539 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)CCN2CCCS2(=O)=O)c1 610615271 YGKXOBNRDJMCLR-SFHVURJKSA-N 406.552 1.906 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)NCc2ccc(C#N)cc2F)cc1 611354882 LNYTXYFCJYJVKR-UHFFFAOYSA-N 406.439 1.947 30 10 HDEE CC1(C)OB(c2c(I)cccc2S(N)(=O)=O)OC1(C)C 694959103 HTIASSDCXFMFTD-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C[C@H]1CCCO1 728557946 VMMJFPUANAZJKQ-GOSISDBHSA-N 421.457 1.440 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCSCC(=O)OC)C1=O 729818694 DFOGXNDBVGDTEX-ZDUSSCGKSA-N 413.496 1.800 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 732143412 LDQVYLSEMVTZJX-HNNXBMFYSA-N 407.492 1.337 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Br)cc1F 732465558 HPFJBDNSVKSBHL-PFONDFGASA-N 411.231 1.914 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 733201717 LYYYWMMCCOSPOT-LRWZUSMTSA-N 401.536 1.015 30 10 HDEE C=C(COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O)C(=O)OCC 734022697 IGVLHKBSRZHMSZ-KSSFIOAISA-N 421.471 1.530 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)cc1C#N 747495708 SNRVAHOIBCDXOF-UHFFFAOYSA-N 420.425 1.471 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)c1 747952537 AXXOHDVXAAMXJP-VQIMIIECSA-N 413.478 1.191 30 10 HDEE C#CCN(CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 749283926 JRUJGHRWGYXGGM-AZUAARDMSA-N 403.548 1.014 30 10 HDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1cc(Br)cc2c1OCC2 756108981 SKBXKYRSJGBEIC-UHFFFAOYSA-N 410.249 1.713 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@@H]2CCc3n[nH]cc3C2)c1 764021055 VZVKIVFUKQCAMO-SNVBAGLBSA-N 409.265 1.654 30 10 HDEE C[C@@H](CC(=O)OCc1nsc(N(C)C)n1)/N=C1/NS(=O)(=O)c2ccccc21 771361814 KRBNUKBIYZTBKM-JTQLQIEISA-N 409.493 1.165 30 10 HDEE COc1cc(OC)c(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)c(OC)c1 778769375 MHFBIDIAONDKGG-LBPRGKRZSA-N 420.443 1.856 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(Oc3cnccn3)CC2)C1=O 782886409 MJNDGIRCCYOZBN-UHFFFAOYSA-N 406.446 1.613 30 10 HDEE CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 784246963 YJGQOWIOFHVMSI-AWEZNQCLSA-N 409.508 1.599 30 10 HDEE CCCNC(=O)c1cccc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 787834049 RVLXJMWBMQWNEP-UHFFFAOYSA-N 408.458 1.639 30 10 HDEE CCN(CC)[C@H](C)CN1C(=O)[C@H](CC(=O)NC)S/C1=N/CCc1ccccn1 794441797 RLCHFNXGGKWCDG-HIZVNPMFSA-N 405.568 1.791 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)c1 794984507 SCRMFDINENBTOY-RXVVDRJESA-N 421.501 1.844 30 10 HDEE CN(C(=O)[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)c1ccccc1 797454182 IEVJRWYEHAHULC-MJWGMMHASA-N 411.462 1.207 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1 810661891 SMYNTCJLRHDTDP-ZDUSSCGKSA-N 403.476 1.721 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 812471755 DPYJXOXNEDSFTP-IYKSTZQJSA-N 415.498 1.649 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H](C)CO)C(=O)[C@]12C 1075997211 BRVZONRXRINYIX-KFSODFCRSA-N 401.415 1.539 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1125120143 USHDLVRKBCBCAD-CZEALIGGSA-N 406.508 1.909 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Cc2ccc(Br)cc2C#N)C1=O 1126809071 OJNGGRLJNSLFHF-SCLBCKFNSA-N 419.279 1.700 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)C2(OC)CCOCC2)ccc1F 1129837213 MUASWQSFGDHJBY-CYBMUJFWSA-N 400.472 1.604 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 1132698909 GULKPOCNYFTYJX-KBXCAEBGSA-N 404.467 1.839 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1133097817 QLUGEAIDGRYMHA-JYJNAYRXSA-N 422.503 1.918 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1141530403 QTOUZIABBISHHX-MRXNPFEDSA-N 416.478 1.537 30 10 HDEE CN(C[C@](C)(O)c1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1142693834 GDPIHUYVWYWMST-NRFANRHFSA-N 415.515 1.871 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1147145170 AWPXUHALXUTYOV-UHFFFAOYSA-N 402.469 1.068 30 10 HDEE Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156246894 CKFANEMOLJGFKY-INIZCTEOSA-N 405.462 1.964 30 10 HDEE COC(=O)[C@H](CC(C)(C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1163077311 FIWVMMXGSRBNKO-CVEARBPZSA-N 414.462 1.857 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3NC(=O)c3ccsc3)C2)c(=O)nc1O 1180988171 CKFKUKPYGAWXRQ-UHFFFAOYSA-N 421.438 1.831 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)CC1 1220892154 KXNAYHDGZYRAMX-UHFFFAOYSA-N 402.495 1.107 30 10 HDEE N#C[C@@]12CN(C(=O)NCCOc3ccc(Cl)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1229215445 BWPSZIZDBFKHIU-ZBEGNZNMSA-N 418.302 1.952 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C1CCOCC1 1253348609 RPHYPXGTGSQJNH-GOSISDBHSA-N 402.470 1.520 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCc1nnc(C)s1 1286414828 DBBZLEBEGPKDBJ-UHFFFAOYSA-N 411.535 1.770 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1286613627 DAFMNMAQPRJMGH-UTKZUKDTSA-N 421.542 1.485 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1286674804 VZOYSBIULYGROS-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@](C)=O)CC2)C1 1286812560 QJLZHVOVEXUJHO-HBIPHATFSA-N 407.540 1.093 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CCOC)C(=O)C1 1286828037 GVVXRUPAHMPGDX-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE CC(C)(O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1287101352 YDUVPHIEQNCJKV-UHFFFAOYSA-N 418.505 1.628 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OCC 1287776402 JYAIAKVNIVVMRX-MRXNPFEDSA-N 421.881 1.516 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1290343826 STBZUSKFYPGWJG-AWEZNQCLSA-N 408.867 1.603 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1290687806 UEPGKQAHUNIAIM-JEZWAEDTSA-N 401.482 1.953 30 10 HDEE N#CC1(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCSCC1 1291596099 LWUHZWHHYIYPGX-MRXNPFEDSA-N 423.560 1.797 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1294988699 AJNROYSIPAGBBT-MRXNPFEDSA-N 416.384 1.409 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1298873650 GBGMEPFXOIMBGU-VQTJNVASSA-N 400.433 1.928 30 10 HDEE C#CCN(C(=O)[C@@H](F)C(F)(F)F)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299463687 XTCNHVLNBZUGGJ-YUDUXTHKSA-N 402.388 1.763 30 10 HDEE COC1([C@H](C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1299523320 AJKOOUBKDPVLBV-KGLIPLIRSA-N 409.508 1.204 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncnn1C 1299936165 QXUUNFRMFCBBCF-HNNXBMFYSA-N 418.523 1.017 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1300380923 KCZOPXKKQVSJQW-MRXNPFEDSA-N 409.494 1.834 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300403157 JMXRBJODDQKUES-ROUUACIJSA-N 400.527 1.191 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1300540669 AGCJVQZUNJOCNX-UHFFFAOYSA-N 422.514 1.190 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nccc(C(F)F)n1 1300663591 BNJVWUMNNIUBGJ-UHFFFAOYSA-N 400.393 1.597 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2COCC)CC1 1300698126 OAALQYDEBWJDED-HXUWFJFHSA-N 422.533 1.569 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1300770153 OJUGOTNUHUNQMN-UHFFFAOYSA-N 417.539 1.395 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300870084 PTQVCDHGAMXZHX-MSOLQXFVSA-N 404.515 1.142 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300996822 COHYGHHRBJCQFI-DOTOQJQBSA-N 424.509 1.105 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1 1301479421 ZRMVDDMNHALJQJ-CQSZACIVSA-N 413.482 1.231 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1301612337 LKCARHFTVITHOX-HNNXBMFYSA-N 415.585 1.519 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCc1ccccc1F 1301951537 AYMUORDZCNFDTC-KBPBESRZSA-N 408.503 1.866 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1302465910 HBJQNSDNJGSBMO-MSOLQXFVSA-N 415.519 1.724 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CCCN1C(=O)OC(C)(C)C 1303343025 VGAZGTRVOYIVIV-GQIGUUNPSA-N 410.536 1.673 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccoc2)n1Cc1ccc(C#N)o1 1303813238 BIMVAGLQAWKZNX-GFCCVEGCSA-N 404.452 1.631 30 10 HDEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CSC1 1307917916 DUDQOAKEJUUTII-CXUHLZMHSA-N 416.528 1.285 30 10 HDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1308041803 YQKQMFOZCSLNBS-UGKGYDQZSA-N 418.513 1.582 30 10 HDEE C=C[C@@H](COC)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1312558529 IQYUUFVSGUSROH-LSDHHAIUSA-N 411.499 1.819 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1313191622 XJJLKIXACGTLMT-KGVIQGDOSA-N 423.561 1.857 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 1313291073 IHXZDKUSGGPRGL-NVXWUHKLSA-N 408.340 1.997 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1313493383 YARZTUOHXFTHNV-DLBZAZTESA-N 407.478 1.058 30 10 HDEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1313538637 DPZIFEDGGKVTDN-FPCVCCKLSA-N 410.544 1.710 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCS(C)(=O)=O 1314740965 HWJGSSABULHRBB-UHFFFAOYSA-N 410.503 1.817 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1342653724 OHQIKIJSQZPXHN-LJQANCHMSA-N 414.443 1.100 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccs1 1358869908 ADOCFYGCQWKSMH-AWEZNQCLSA-N 423.502 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(C)=O 1358890920 XHUMQTQJCYNCRD-INIZCTEOSA-N 410.526 1.436 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OC(C)(C)O2 1358937889 KMAKJOKAFHMFCR-CYBMUJFWSA-N 419.507 1.513 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1359121867 LWUVGSXXXFDWNP-ZIAGYGMSSA-N 419.498 1.669 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1359303280 IZWVUAOBRJLBJZ-JKSUJKDBSA-N 420.583 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1C(C)(C)C 1359335651 QSSJZYMDVGPOEA-MRXNPFEDSA-N 422.555 1.488 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359342907 HMALZBQISVGNQJ-HNNXBMFYSA-N 415.585 1.173 30 10 HDEE CNC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1447720303 TYFXLGCZGFKKMF-RDYUPDBUSA-N 405.499 1.257 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)o1 1452948121 RELZJPXETXZIPI-MRXNPFEDSA-N 403.460 1.741 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NC[C@H]1CCCN(CC#N)C1 1457668028 CIYWNDXEQFEJQQ-SJORKVTESA-N 406.527 1.754 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](n3cncn3)C(F)(F)F)ccc2c1=O 1457970406 PWHMKSVLKAJYRT-ZDUSSCGKSA-N 424.408 1.996 30 10 HDEE C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(OCC(=O)NC2CC2)cc1 1459846403 HQPGVCJEBBVOFT-CYBMUJFWSA-N 406.446 1.815 30 10 HDEE COc1ccc([C@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C2CC2)cc1 1460877315 BWNKHQXFBQEGJC-PWIZWCRZSA-N 403.504 1.133 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1461016314 QYGPZLYXYAVDHX-AWEZNQCLSA-N 414.462 1.545 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3ccc(CC#N)cc3)C2)ccn1 1464055544 DFSUVLDPJBARDO-KRWDZBQOSA-N 414.487 1.739 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnn(CCO)c2)cc1 1464343215 QXPQQBCLXKPPTE-PYCFMQQDSA-N 419.507 1.721 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC)c(Cl)c2)CC1 1465800059 HXYKLWCXKCWWTI-UHFFFAOYSA-N 402.929 1.679 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nccc(N)n1 1468399964 ZHKQBVGBLILOSY-ZDUSSCGKSA-N 416.507 1.535 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CC2 1469280436 XCKJVEZXFHRQFU-UHFFFAOYSA-N 404.492 1.394 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1471251756 JBTNTQWCSNDHTL-INIZCTEOSA-N 403.435 1.974 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)c1 1472917452 GTVMZVMQACOPHB-UHFFFAOYSA-N 406.402 1.687 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCOC2(CCS(=O)(=O)CC2)C1 1473890796 NMFQZPXNNSASKK-ZDUSSCGKSA-N 423.560 1.715 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC[C@@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1484162489 IDDGDKDYESFMDY-JIPVWKOYSA-N 402.539 1.390 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1502727836 CYCQUPHTAMWLAM-QRWLVFNGSA-N 419.432 1.985 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncnn1C(C)(C)C 1503799382 CSZVIEOBAOIHBS-UHFFFAOYSA-N 421.509 1.784 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C 1507532975 JWFGZNYLVGDGOW-MRXNPFEDSA-N 407.522 1.990 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1507589765 ZUONOLYSHZQZEE-HNNXBMFYSA-N 424.552 1.117 30 10 HDEE C#CCCCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1[C@@]1(OCC)CCOC1 1507600388 YSGFSGWWOUKMOL-LAUBAEHRSA-N 403.527 1.839 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507630617 DDWVTKPTGBXBRC-ZACQAIPSSA-N 417.535 1.451 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1C 1507643424 VKVAVWYWSSDWCR-INIZCTEOSA-N 417.510 1.651 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1507700019 MDBXWLTVTMZFNS-QGZVFWFLSA-N 403.508 1.479 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCc2cn[nH]c2)CC1 1507718322 OHLLYLWCKJVRIU-UHFFFAOYSA-N 421.505 1.683 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(CC)CC)CC1 1507738834 FSECUHTWOIYDDG-LJQANCHMSA-N 416.570 1.480 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1 1508070899 GDEFMUYZGTUNHI-UHFFFAOYSA-N 405.462 1.864 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1508095472 PQKCXCYEQSJCEB-GOSISDBHSA-N 402.543 1.081 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508145678 OQDPXXPRKGRDAF-KRWDZBQOSA-N 420.583 1.880 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1511626602 HOOHRYAPTXDPCK-AWEZNQCLSA-N 404.478 1.858 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512177584 CYMSWJAVPPIUEZ-OHTQGHCMSA-N 415.498 1.179 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1512285401 GGAFTZKRHJKXPH-HNNXBMFYSA-N 403.508 1.724 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1516960784 UJTLVIKAERTHMQ-HKUYNNGSSA-N 424.505 1.965 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CC2)CCO1 1521122469 WMAPSQQDPFFHKP-CQSZACIVSA-N 404.268 1.961 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nn1 1526049856 OKKZXBLNDDMJQG-UHFFFAOYSA-N 403.508 1.815 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1531182036 RITXQKFJBXZLOZ-JYJNAYRXSA-N 422.547 1.697 30 10 HDEE CCOc1cn(-c2ccccc2)nc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1532112727 FYJNGJVOAQOVCM-UHFFFAOYSA-N 407.434 1.955 30 10 HDEE CC(=O)N[C@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)C 1534147245 UNLKVZBCMUDIDX-WXNAFCGMSA-N 408.524 1.989 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O)C(=O)OCC 1535090925 KGOWWPJNWVAEAA-KUHUBIRLSA-N 407.854 1.644 30 10 HDEE CCOC(=O)c1cc(F)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1536974949 BBHKFLKVHFLNFW-UHFFFAOYSA-N 405.407 1.680 30 10 HDEE N#C[C@@]12CN(C(=O)C3(c4cccc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 1538539617 KFUPQLLOQBPWGZ-BBRMVZONSA-N 409.305 1.877 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1538582301 AVZUNYURAQSMDI-UHFFFAOYSA-N 403.479 1.742 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)NC 1539031609 LUJJKJCUZQCSSF-OAHLLOKOSA-N 405.524 1.427 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C(C)C 1539245519 HPGPXESPLIQDPQ-OAQYLSRUSA-N 414.531 1.828 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1539744464 MLCHEPLZAKKKPZ-QGZVFWFLSA-N 418.542 1.565 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1539954869 HLSTZMAEHWPLIG-GOSISDBHSA-N 421.509 1.992 30 10 HDEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1540861291 KHWRVGVNJGDBQV-UTKZUKDTSA-N 419.526 1.332 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)cc1 1540878309 TXWTVQUGHOQALU-RHSMWYFYSA-N 412.494 1.542 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540900281 QDFATYGDHZQIFN-INIZCTEOSA-N 417.535 1.603 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)ccc1F 1543526224 KNTKABBTJAIBMZ-PBHICJAKSA-N 422.482 1.674 30 10 HDEE CCOCc1nnc(N(C)CCC(F)(F)F)n1CCN/C(O)=C1\N=CC=CC1=O 1548090607 AQUNIRMWOKRLOD-CCEZHUSRSA-N 416.404 1.730 30 10 HDEE COc1ccccc1Cc1nnc(N2CCS(=O)CC2)n1Cc1ccc(C#N)o1 1555079670 YKGODGJFRKOTAF-UHFFFAOYSA-N 411.487 1.959 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1557484829 RGUCUERQRKBDIL-UHFFFAOYSA-N 406.489 1.659 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C)(N2CCCC2)CC1 1557833421 DSYLCVVLWPKKBT-MRXNPFEDSA-N 404.536 1.702 30 10 HDEE CCOC(=O)Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[nH]c2ccccc12 1558511285 PXXIILWHJDSYBH-RBZFPXEDSA-N 415.471 1.284 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]([C@@H]3CCOC3)C(F)(F)F)CC2)o1 1560199459 ULAJRNSZGCPUPS-IUODEOHRSA-N 401.389 1.060 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br 1561602886 DRZILJLSECMFTH-HZPDHXFCSA-N 415.309 1.919 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564627937 ITNJQGASFQHWSD-PBHICJAKSA-N 423.514 1.247 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1OC 1565644457 RVMZSUZRHQXCHK-HOTGVXAUSA-N 418.494 1.936 30 10 HDEE C#CC[C@]1(C(=O)NCCN2CCC(N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1566214116 UMLCRKCQAAJGLL-JOCHJYFZSA-N 406.571 1.922 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N1CC(O)(CC#N)C1)C2 1567757687 FCRAKYZYVFSJNW-HNNXBMFYSA-N 417.462 1.857 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)c(F)c1 1584348598 ZWEUOQQVEMWDFK-UHFFFAOYSA-N 412.830 1.554 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585978346 BNOSPMPRMXTZJW-SNVBAGLBSA-N 400.298 1.306 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)COC4)C2)c1 1586079461 UUJMCZOXDQSLIE-UHFFFAOYSA-N 412.471 1.190 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)OCC 1587285454 FMBCQVHTWDSZJJ-ZDUSSCGKSA-N 406.863 1.685 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cc1 1587650364 JSUCDCYYUVQEHJ-KRWDZBQOSA-N 410.517 1.413 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588055548 XMARWBSSJPAIOO-ROUUACIJSA-N 422.551 1.368 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1588126724 APVIUEOFXNNBPR-GFCCVEGCSA-N 411.252 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCSC1 1588219570 VZPUAUKDXDIFIM-FQEVSTJZSA-N 413.503 1.337 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)c2ccccc2)CC1 1588806283 LVWFMCPEXVCHCR-UYAOXDASSA-N 421.549 1.509 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588812005 OUHAFBNIAVCBPI-FQEVSTJZSA-N 422.533 1.287 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](F)COC)CC1 1588856668 AKCUVCCFUHRGMC-SFHVURJKSA-N 401.486 1.639 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCOCC)CC1 1588954631 JKLIVAFXHFTQGX-UHFFFAOYSA-N 401.536 1.933 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1594637667 TVQMILZMNLUJCD-INIZCTEOSA-N 411.842 1.937 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C(F)(F)F)nn2C)c1 1595110289 ACOQNLIBDSZDTH-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1595562158 PDZYRWZEAGAVMB-KRWDZBQOSA-N 402.543 1.521 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1596186154 JZVAYNYJBFBAIT-OAHLLOKOSA-N 422.356 1.306 30 10 HDEE CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1596830883 GAQMEQUHGYNKMA-JONQDZQNSA-N 410.544 1.424 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CCO2)cc1 1598184754 CTMVJXXHFABHRH-HXUWFJFHSA-N 416.437 1.730 30 10 HDEE C#CC[C@]1(C(=O)NC[C@H](C(=O)OC)[C@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 1607759586 CBMUNCDZPUZHRA-CKJXQJPGSA-N 408.495 1.721 30 10 HDEE CCN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1616424610 SHXRPMVLWZKJJH-UHFFFAOYSA-N 405.296 1.838 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCn1cncn1 1616915692 CMMFISFFXYKZSS-UHFFFAOYSA-N 407.482 1.305 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@H]2CCOC2)CCO1 1620356042 QXMMGOPISISGLJ-KURKYZTESA-N 405.499 1.692 30 10 HDEE C=C[C@H](CC)CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1623707866 OCTHGDNDQRZTAU-QGZVFWFLSA-N 422.551 1.353 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)c12 1625533968 MGOVXZMJDXFQHU-UHFFFAOYSA-N 423.454 1.412 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1627752604 RRJCWVYLOZJTHE-VLIAUNLRSA-N 414.474 1.976 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cnccc3C#N)CC2)n1 1628786491 GIJBZMMYRCOALE-UHFFFAOYSA-N 405.867 1.368 30 10 HDEE C=CCOCCCC(=O)N1CCN(c2ncc(I)cn2)CC1 1631573011 KPIOKBGOGJXWGE-UHFFFAOYSA-N 416.263 1.713 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1631610702 NJGNEXPDUXKFJZ-INIZCTEOSA-N 414.506 1.733 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1634016492 YMTNFBYKWSDJTE-MSOLQXFVSA-N 406.571 1.380 30 10 HDEE Cc1nc(SCC(=O)N2CCO[C@@H](CN3CCOCC3)C2)c(C#N)c(C)c1C 1634428083 NLGUTEJKONJVER-KRWDZBQOSA-N 404.536 1.530 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635416016 XXXQLPQHKWHIRU-HIFRSBDPSA-N 419.532 1.785 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OCCOC)C[C@@H](CO)C1 1635550055 DWVLMVYHSVIJME-PMPSAXMXSA-N 420.934 1.895 30 10 HDEE NS(=O)(=O)CCCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463528 JNPHPONSLSFYMS-RNFRBKRXSA-N 418.306 1.685 30 10 HDEE C#C[C@H](NC(=O)N1CCS(=O)(=O)C[C@H]1CCO)c1ccc(Br)cc1 1636563187 UOWXZAIYRGKTRG-CABCVRRESA-N 415.309 1.314 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1637390016 PSBOCRUXWBJPMJ-IBGZPJMESA-N 402.539 1.887 30 10 HDEE COC(=O)[C@H](CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 1637686779 IRBXZVBSXFBGAD-IAGOWNOFSA-N 417.311 1.850 30 10 HDEE C=CCCC[C@@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OC 1641855944 WROBDHCOBUZQEI-MRXNPFEDSA-N 401.467 1.392 30 10 HDEE CC(=O)NCC(=O)N1CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 1644101268 BIIYYIUKYZMZAU-UHFFFAOYSA-N 413.522 1.221 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)CCOC1 1645841425 JLFCQIALCOGXJB-QFIPXVFZSA-N 423.473 1.142 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2cn(C3CC3)c(=O)nc2O)cc1Br 1651043353 PBHRQMWQBFOFJN-UHFFFAOYSA-N 419.235 1.613 30 10 HDEE COC(=O)CCN1CCC[C@@H](N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1652426689 KYIXMTXJHXGNPO-HXUWFJFHSA-N 421.501 1.783 30 10 HDEE C#CC1(O)CN(C(=O)CSc2nc3ccccc3nc2N2C[C@H](C)O[C@@H](C)C2)C1 1653284605 TYURJBMTAFUDSS-GJZGRUSLSA-N 412.515 1.542 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCC#C[C@@H]2CCCCO2)C1 1653545209 XXYVRTCWJOJBSE-HOTGVXAUSA-N 414.524 1.099 30 10 HDEE CC(C)Oc1ccccc1C(F)(F)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653759957 NLWKLYLBLLXIPQ-UHFFFAOYSA-N 404.373 1.783 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@H](O)c1ccc(Cl)cc1 1663201648 BMTLWBMAYXMQIH-HZPDHXFCSA-N 409.851 1.550 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1664948820 CBEGTAIWDIFQTI-VIFPVBQESA-N 407.242 1.337 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)(C)C 1673213827 VGVGFLPJFVHJTA-QGZVFWFLSA-N 409.508 1.886 30 10 HDEE C=CC[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccncc1 1679026506 KBZGRCJTJDDQLC-ZEVUXNIQSA-N 421.519 1.897 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1682938372 HVELYJQMTRPZBJ-SFHVURJKSA-N 424.480 1.486 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1689892995 RPNVDMOUERXANG-CGTJXYLNSA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1689978292 RNCSHUFVEUXLOH-OAHLLOKOSA-N 407.540 1.233 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1689986842 XVZVORFTXNIDBZ-IBGZPJMESA-N 422.514 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(=O)NCCc1ccccc1 1690043188 SLHZQTKYPHPKGI-UHFFFAOYSA-N 415.501 1.500 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1690054361 UJRYPXGQAQVYNE-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690120088 GAJIMTSLDVMWEG-IBGZPJMESA-N 410.570 1.054 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690179245 RYOOTRLTQPBGJH-ZDUSSCGKSA-N 404.565 1.667 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1690733389 CNIOWYSIVNURKR-UHFFFAOYSA-N 416.555 1.452 30 10 HDEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1691336339 DIPCYFQGQCMCBN-LBPRGKRZSA-N 400.405 1.831 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1692729187 GKVCMWAKIMROAB-VQIMIIECSA-N 407.522 1.860 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1696477170 AMVRXMSWWJJOHG-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)COCCO1 1696688300 LFLZVKKTXSMUNM-JOCHJYFZSA-N 424.505 1.828 30 10 HDEE COc1ccc(COCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1697464379 AELLFLPNUQYYBN-IEBWSBKVSA-N 413.478 1.736 30 10 HDEE COc1cccc(OCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1697544608 NFXOJVLILCOHCP-GOSISDBHSA-N 421.461 1.942 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1698144811 SAOIBXSKAUEZAW-HUUCEWRRSA-N 417.466 1.904 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705515464 FIIJJICSUDUZFM-RBUKOAKNSA-N 413.570 1.249 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1705559421 AMOVXWDHSYHBLF-SJLPKXTDSA-N 405.568 1.513 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1705570999 UBQQVFKPVOQRPE-GOSISDBHSA-N 401.536 1.855 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cnnn1 1705581044 SDNJZMYYHJRMQK-UHFFFAOYSA-N 413.445 1.750 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC=C(C)C1 1705680992 KUMWJEJIEDGLHQ-GFCCVEGCSA-N 404.334 1.953 30 10 HDEE C=CCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705823708 SRMQXMUQLUQRLJ-FIKGOQFSSA-N 403.527 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@@H]2C)C1 1705928882 IOCAHHVCARKWMN-OKZBNKHCSA-N 403.527 1.854 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1705940606 KFMCQMLYBUXJCH-INIZCTEOSA-N 415.585 1.137 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1706743916 HOBWFSWEJVIUJG-SNVBAGLBSA-N 419.291 1.356 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1709404492 UMSAEDFNRZIUDD-CWIOURORSA-N 407.478 1.909 30 10 HDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1711015670 JMTXNVOUEHNLLU-FQEVSTJZSA-N 416.457 1.694 30 10 HDEE COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1712427308 JVZMSKIYZYISCT-BXWFABGCSA-N 410.494 1.022 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(Cn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 1722364155 JPNHFHQIXRGGOW-HXUWFJFHSA-N 424.530 1.506 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722495320 RFFFOHUQNJGERM-PZJWPPBQSA-N 418.586 1.948 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722509181 WPYCVPZJRUHYEY-ULQDDVLXSA-N 409.556 1.655 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC)[C@@H](C)C1 1722701157 HZAMOCFBBMIOBT-SFHVURJKSA-N 412.538 1.732 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1722711103 AFNVGKAVNBCUOJ-HZPDHXFCSA-N 405.524 1.500 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1723773270 PWPGHCSIYKQICQ-UONOGXRCSA-N 402.455 1.550 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1726033828 IKIXLWRFSWSQGH-KRWDZBQOSA-N 410.526 1.794 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC(F)F 1730832397 SSTDQYPLNXJJCA-ZDUSSCGKSA-N 414.457 1.513 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)c2cc[nH]n2)CC1 1731185762 DBCDRKGAFKDWIT-UHFFFAOYSA-N 405.466 1.157 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740621486 MBEAUELYUKGHOU-JKSUJKDBSA-N 419.576 1.663 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740626429 KQWIDWKFDKUMRH-OALUTQOASA-N 421.611 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1740646308 VLZRMJXANCOWRH-UHFFFAOYSA-N 413.547 1.929 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1740649188 ZISXCFNFSMAMKX-UHFFFAOYSA-N 422.880 1.610 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS2)CC1 1740704673 QZMWVVPFLGCACL-KRWDZBQOSA-N 413.551 1.540 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1740717746 ZTNRHPYEAIHFDW-SJORKVTESA-N 423.608 1.221 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)CC1 1740838540 RWSMODUXTNHJEF-QGZVFWFLSA-N 409.556 1.610 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1740897919 YZWIYUIBAYRIOJ-UHFFFAOYSA-N 404.478 1.904 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCNS(C)(=O)=O 1748685666 DDAZHDIONHOFFO-MRXNPFEDSA-N 405.524 1.563 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1748811379 FQPJMFUBBYWJKA-WMZOPIPTSA-N 414.535 1.662 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CCn1cncn1 1748902382 DYGKNLFPHGWJFJ-UHFFFAOYSA-N 405.462 1.620 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC(C)C 1748906943 KSICBCFGBSZZTM-HKUYNNGSSA-N 401.511 1.380 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)C2CC2)CC1 1748973087 XHPJGQZBCVOOAK-QGZVFWFLSA-N 409.494 1.106 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749102042 ITDCFIJTSDKYKK-QWHCGFSZSA-N 411.304 1.295 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CCn1cccn1 1749729082 AHLGRNVBKIMMAJ-UHFFFAOYSA-N 401.496 1.274 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1750141079 PZDUFYBVVUYYRC-RISOHXOYSA-N 414.466 1.217 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1750523734 AEKVFIQOIQXKQH-KCYZZUKISA-N 402.499 1.204 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CCS1 1752387525 HUXDTLYJAQGSPE-OAHLLOKOSA-N 410.507 1.962 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1760095488 QLXHCSRHYDTHNE-HNNXBMFYSA-N 412.494 1.400 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760148027 LGYPYFOZLOIELE-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccn(C)n1 1760250399 YYTTUMCFAIZQQT-LJQANCHMSA-N 408.462 1.658 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1760290973 WDIUOUPKKHZMSC-YPAWHYETSA-N 415.538 1.789 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760438314 DXOIHMBZLCYFHX-IRXDYDNUSA-N 400.527 1.938 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)cc(OC)c1 1760521394 RIPRHUSJLVJCFP-MRXNPFEDSA-N 414.466 1.317 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1760696434 QTLLNNQJNLWHCP-ZBFHGGJFSA-N 422.555 1.082 30 10 HDEE CC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1763351244 DRQZJENDHOEYIM-FTFAEBDGSA-N 414.510 1.935 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1766848220 DMKGVGMODBQJRM-QGZVFWFLSA-N 418.461 1.214 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](CC(C)C)N(C)C)CCOC1 1767481904 FDGSSBUTRGIFRY-BBTUJRGHSA-N 420.558 1.635 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1769275203 GPFILZDRSBSKHX-HZPDHXFCSA-N 407.471 1.425 30 10 HDEE COC[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769466843 FUBVVQHAALENOF-MJWGMMHASA-N 416.526 1.866 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1771360783 MNFYMEPAHCUQNN-UHFFFAOYSA-N 404.496 1.530 30 10 HDEE CS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1771366012 IDFFGQYQZSFLGY-MRXNPFEDSA-N 410.544 1.589 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)Cn2nnc3ccccc3c2=O)CC1 1849214078 LTDVZPFEHIXPDW-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE C=CCN(C(=O)CCCn1nc(-c2ccc(OC)cc2)ccc1=O)[C@H]1CCN(C)C1=O 1849441304 WGOPPJFXZYTPDY-FQEVSTJZSA-N 424.501 1.944 30 10 HDEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1 1852399278 NHJVPHXKNCKQHR-SFHVURJKSA-N 410.499 1.704 30 10 HDEE N#CCCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)CC1 1852649889 QARGFZRBKCVNDM-UHFFFAOYSA-N 413.503 1.335 30 10 HDEE C=CCN1CCN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)CC1 1852653858 KEBCBSXGANNZKR-UHFFFAOYSA-N 400.504 1.607 30 10 HDEE CC(=O)N1CCC(CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1853070251 NZXJTNKTNAYNJU-QFIPXVFZSA-N 401.507 1.913 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1853676381 JMELUMVXDSYLCZ-ZWKOTPCHSA-N 416.522 1.015 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccccc2OC)C1=O)[C@@H]1CCN(C)C1=O 1853682575 MXOJBYNJZJSEFO-DLBZAZTESA-N 415.490 1.310 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)C4CC(=O)C4)C3=O)CC2)c1 1854398810 AOYCLUHVIQIQRF-LJQANCHMSA-N 410.474 1.541 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)cc1 1854452004 YGJSFCRGTKYTGF-UHFFFAOYSA-N 412.471 1.714 30 10 HDEE Cc1nccn1CCC(=O)N1CCN(CCOc2ccc(C#N)cc2)C(C)(C)C1=O 1854556340 CXQVYBYDJRSVKR-UHFFFAOYSA-N 409.490 1.982 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1854699578 SHZWNHYCBQNOKY-IRXDYDNUSA-N 411.568 1.464 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCN(C)CC34CCC4)C2=O)CC1=O 1854825592 HGZYNLVMZBRWQG-MSOLQXFVSA-N 402.539 1.099 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3ccncc3F)C2=O)C1 1854881334 DZWIBNZDXWJMIK-SFHVURJKSA-N 409.421 1.772 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCCc3cnc4ncnn4c3)CC2=O)cc1C#N 1856035180 KUIBPIJASYQZGA-UHFFFAOYSA-N 403.446 1.222 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1 1856347912 SGAYNNVTDYFFQQ-UHFFFAOYSA-N 405.476 1.671 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)C3CC4(CC(=O)C4)C3)C2)C1 1856389446 SSDZDIRHPVTFFN-AWEZNQCLSA-N 408.458 1.151 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(Cn3cnc4ccccc4c3=O)CC2)CC1=O 1856648981 GARNQRDEIPKGHA-KRWDZBQOSA-N 407.474 1.397 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCN(c3ccc(OC)nn3)CC2)CC1=O 1856662798 UUBPUOMDQFRFTC-SJORKVTESA-N 401.511 1.585 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1=O 1856725014 DUIRJXRTQZCGMD-MOPGFXCFSA-N 401.482 1.995 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@H]3CCC(F)(F)C3)C2=O)CC1 1857069989 FNUHHJXMFBPUJB-HOCLYGCPSA-N 403.433 1.638 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857223846 QWEUIBOXZPKXPT-ROUUACIJSA-N 416.522 1.015 30 10 HDEE Cc1cc(CC(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)no1 1857465002 JBKWSKGKIVLMCB-OAHLLOKOSA-N 409.446 1.321 30 10 HDEE C=CCNC(=O)[C@H](CCSC)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861782870 DOWAVXLAXXDCSZ-INIZCTEOSA-N 403.504 1.603 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCO)CCCC)nn1C 1869992673 VDUDNEMPABVQDZ-UHFFFAOYSA-N 403.483 1.996 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC2CCCCC2)cn1CCO 1870494101 ROBUCVBKYSQNDI-UHFFFAOYSA-N 403.523 1.842 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1OCC(=O)N(C(C)C)[C@H]1c1ccc(OC)cc1 1890003620 IKZDEGZFONILSF-FCHUYYIVSA-N 415.534 1.834 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)CC1 1890090344 NJQOQTYGUDWRNA-INIZCTEOSA-N 410.503 1.674 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)Cn3ccccc3=O)n[nH]2)c1C 1890687028 IVGGBPIULMPYOS-MRXNPFEDSA-N 410.478 1.419 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1902576885 LQNSWXFPWDIWMR-LJQANCHMSA-N 416.522 1.842 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010402028 LEOHRWKVNCKUHU-INIZCTEOSA-N 420.315 1.488 30 10 HDEE C=CCC1(C(=O)NCCn2cc(Br)nn2)CN(C(=O)OC(C)(C)C)C1 2072762303 IDYOAHNBIYDSEM-UHFFFAOYSA-N 414.304 1.970 30 10 HDEE N#Cc1cc(Br)cnc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118195133 SBFRUGPKANIDDI-PSASIEDQSA-N 420.189 1.074 30 10 HDEE C=CCN(CCC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C 2124709178 NVGJZTFZPBFABY-UHFFFAOYSA-N 403.526 1.825 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1 2130060328 DSNOQAIWDLYLHN-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE C#CCN(Cc1cc(N)cc(I)c1)[C@@H]1CCS(=O)(=O)C1 2169183817 UHXZYDQZBZEMCR-CQSZACIVSA-N 404.273 1.496 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCCO1 2174788471 FSTZUCBYEAPLON-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE Cc1cc(CNS(=O)(=O)C[C@@H]2CCCO2)sc1B1OC(C)(C)C(C)(C)O1 2202300411 LTMRFUXQVXOBAI-ZDUSSCGKSA-N 401.359 1.954 30 10 HDEE N#Cc1cc(Br)cn(C[C@@H](O)CCN2C(=O)c3ccccc3C2=O)c1=O 2210624096 PRJKDJZMZQPXJB-ZDUSSCGKSA-N 416.231 1.530 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243392048 FMJYLAAIOXJSLK-OLZOCXBDSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2243416910 KKTRDDDSINBECM-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCCO1 2243678983 QPNHWGBJEOVXDO-HXUWFJFHSA-N 408.304 1.811 30 10 HDEE CC(C)[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247828302 NEXJUALFOXJDTQ-AWEZNQCLSA-N 422.335 1.988 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNCC[C@@H]1C 2282315521 PDGUVLXOPURSKP-LBPRGKRZSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CO)CCCC2)sc1B1OC(C)(C)C(C)(C)O1 2282315533 PITFGGUIMZTXBM-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@@H]2CO)OC1(C)C 2282506298 QHNHVAFVWXEZTQ-BXUZGUMPSA-N 401.721 1.688 30 10 HDEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)NS(C)(=O)=O 2282619002 PQXVQOJTXLJZEJ-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE C[C@H]1CCN[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845108 NDTIOCNLGRHNAO-JSGCOSHPSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@]2(=O)CC[C@H](CN)C2)OC1(C)C 2282869767 IBMRLYWGUHVAKX-SSINHNECSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](C(=O)O)C3)s2)OC1(C)C 2284396602 DNTBZQDKXORLJZ-GHMZBOCLSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284401851 KBCFRDQJSFCOJD-JTQLQIEISA-N 421.733 1.938 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2286311477 FNPSYFHVGILSCU-GOSISDBHSA-N 403.545 1.599 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(=O)NCc2ccccc2)n1C 2300267107 FXCXYEUZTUSSOR-UHFFFAOYSA-N 412.299 1.074 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1Nc1ncc(Cl)cc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c2sc(S(=O)(=O)N[C@H]3C[C@@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2366676236 FMEKWMBRSSPTJT-NHCYSSNCSA-N 418.777 1.729 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 2367797789 WYFVKMBSEJHDJS-CVEARBPZSA-N 401.573 1.390 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806152 ILAUXSVPUAXPES-SPYBWZPUSA-N 400.541 1.483 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@H](O)c2cccc(I)c2)CC1 2367815377 FAGUZCVXUGGGHB-STQMWFEESA-N 405.257 1.233 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCCNC(=O)OC(C)(C)C 2367818980 NWMPBGSEURDPAV-QAPCUYQASA-N 402.557 1.601 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2NC(=O)c2ccccc2)CC1 26610509 TWZNHHMOZUUPAQ-UHFFFAOYSA-N 406.486 1.999 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)[C@@H](CC)n2c(N)nnc2SCC#N)n1 40173470 NRGPSBOEABHBCK-SNVBAGLBSA-N 409.497 1.628 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccnn2CC2CCCCC2)CC1 52305465 DYDDOOPRRDEQEC-UHFFFAOYSA-N 402.543 1.322 30 10 HDEE C=CCn1c(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)nnc1-c1ccccc1 59775935 FLNFRDCWQIZPGR-UHFFFAOYSA-N 409.475 1.566 30 10 HDEE C#CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 111046303 ORMGEBDAFZCEBY-OAHLLOKOSA-N 400.447 1.069 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 111215375 MQUHIRVFKXYMOR-KRWDZBQOSA-N 424.592 1.841 30 10 HDEE COc1ccc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)c(Br)c1OC 169897930 FOZJIFRIJQWLAU-LSCVHKIXSA-N 411.256 1.839 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)C1 238828529 FINCRGVHYVLUID-KRWDZBQOSA-N 424.436 1.799 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 238963071 YRGQPTARVRDQMT-GJZGRUSLSA-N 423.498 1.715 30 10 HDEE Cc1cccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)c1 301347654 HVKPGJRJQJWCIZ-FQEVSTJZSA-N 400.504 2.000 30 10 HDEE CCOC(=O)N1CCC(N/C(N)=N/Cc2ccc(CN3CCOCC3)cc2)CC1 303778791 JXNWFVFOJUTCKG-UHFFFAOYSA-N 403.527 1.544 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccc(C#N)c(Cl)c1 441216924 GIWLTJKYMJMDLQ-JHNDHUHGSA-N 405.838 1.575 30 10 HDEE CC(=O)N1CCN(c2cccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)c2)CC1 443336281 XLTBNEHXWXUYAY-UHFFFAOYSA-N 411.506 1.740 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465484401 SSIJWZOYQSUUST-SQWLQELKSA-N 402.524 1.333 30 10 HDEE CCn1nc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(=O)c2ccccc21 472678414 PBXPHSSXPVOKMG-UHFFFAOYSA-N 405.462 1.292 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 479052606 DUQZTLWTPKUBFM-IRXDYDNUSA-N 408.476 1.042 30 10 HDEE CSc1nc(O)c(C(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1C#N 495821031 SJWHPJGQNSZLCU-CQSZACIVSA-N 404.492 1.624 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)CC1 505014061 OTYWMACAZJLBLD-UHFFFAOYSA-N 414.531 1.895 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)c1 512902404 OEDZYBPJVFUMLY-IBGZPJMESA-N 404.474 1.980 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(c3nc4ccccc4o3)CC2)CC1 514983269 AVLWXIAAFYDHQX-UHFFFAOYSA-N 411.506 1.491 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 515100183 SYDZZESCKWGYOH-HNNXBMFYSA-N 414.487 1.322 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1Cc1ccccc1 534401675 VMPSPWTXBSBKSU-UHFFFAOYSA-N 411.433 1.485 30 10 HDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 537351583 JTCGKYSHRAUHRP-UHFFFAOYSA-N 408.505 1.199 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1=O 542120017 NPCRDHQJDMGDPC-INIZCTEOSA-N 405.455 1.041 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccccc3N3CCOCC3)CC2)n1 546924791 LQQBGXLFQULKEG-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 567317198 GBGSPTKHBFVPQJ-MRXNPFEDSA-N 414.487 1.240 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(C4CCOCC4)CC3)CC2)o1 583420163 XIHSKTWUFDULPX-UHFFFAOYSA-N 401.511 1.642 30 10 HDEE C#CCN(CCCN1CCOCC1)S(=O)(=O)c1ccc(Br)cc1 586124430 RMTGYVGARDKRHT-UHFFFAOYSA-N 401.326 1.795 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](C)C(=O)OC(C)C)nc1C 586304606 PWNSZDOGNJXUQU-LJZMDLFKSA-N 402.494 1.822 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccco3)c2=O)cn1 588892049 JVOPUXGBSSSCCS-UHFFFAOYSA-N 407.451 1.768 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@@H]1CCCO1 603799535 RSSMSCAFJPGESZ-AWEZNQCLSA-N 415.540 1.264 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccc(F)cc1 603923524 HMCQXOYPDMQQEQ-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)CC1 605416856 OVTSIKVZFOIDJN-UHFFFAOYSA-N 401.511 1.585 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(C#N)cc2F)cc1S(=O)(=O)N1CCOCC1 609230147 YAIHCUOKLPEHBF-UHFFFAOYSA-N 417.462 1.957 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)s1 609416669 QQFXMNFLZSBJGJ-UHFFFAOYSA-N 413.499 1.911 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(C(=O)OCC)c2)CC1 610322339 IIQIFXGBZWPNRP-UHFFFAOYSA-N 408.886 1.968 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(Cl)s3)CC2)n1 612820699 VWDGRNKZXFIJPV-UHFFFAOYSA-N 424.935 1.932 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cccn2C)CC1 670208419 KUAPBIPZCSIJHC-QGZVFWFLSA-N 400.483 1.243 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccoc2)c1=O 727415070 HSVFQKWCQFKGIV-UHFFFAOYSA-N 424.434 1.264 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCCC1 732494690 KGXCACWZGOKCDT-QUCCMNQESA-N 422.485 1.620 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1 732651035 RDBMTDXGXIDBPV-APWZRJJASA-N 412.490 1.507 30 10 HDEE CCN1CC[C@H](N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 741702674 IGJLQPRNSKNLQN-WBVHZDCISA-N 406.552 1.694 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]2(CCCOC2)C1 746875137 FQPICTHYDKZBQW-FQEVSTJZSA-N 405.520 1.925 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CSCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 759325743 DXMDDLDPIKDOAK-RBUKOAKNSA-N 421.588 1.436 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](C#N)C(C)(C)C)c(NS(=O)(=O)C(F)F)c1 763089524 HLDLTIXMSJVGSO-GFCCVEGCSA-N 411.452 1.876 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)ccc1F 763653933 JYPOYNKUKBXWCU-UHFFFAOYSA-N 406.501 1.185 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)CNC(=O)c1cccnc1 767605954 NFGSUHQQWXAWLQ-UHFFFAOYSA-N 404.386 1.051 30 10 HDEE C#CCN(C(=O)NCC(C)(C)c1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774211503 WNCARFLGABVEGJ-MRXNPFEDSA-N 408.520 1.813 30 10 HDEE C#CCN(C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 777172187 NHBOBRYSMWCJQK-HNNXBMFYSA-N 414.524 1.051 30 10 HDEE Cc1nc(CN(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)no1 781440557 MMOQMSFRXFNSMM-LTGZKZEYSA-N 406.468 1.855 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 783018375 RZYUFVRDXJVZOO-IAGOWNOFSA-N 423.558 1.452 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(=O)Nc2ccc(Cl)cc2)n1 788895101 FKEVFENSHBOAIB-UHFFFAOYSA-N 403.870 1.966 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCC(C)(C)O)C1=O 790736658 JOLCWLZJXCZFQW-CQSZACIVSA-N 412.581 1.909 30 10 HDEE C=CC[C@@]1(C(=O)OCc2cc(=O)n(C)c(=O)n2C)CCCN1C(=O)OC(C)(C)C 791719678 YTJDAURVJIETIE-FQEVSTJZSA-N 407.467 1.473 30 10 HDEE COc1ncc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1Cl 792859939 SUWZFDXJGIURJL-UHFFFAOYSA-N 419.825 1.417 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](CC)O[C@]3(CCOC3)C2)ccc1F 794305690 XNNVWMKVXVDEIZ-HNAYVOBHSA-N 412.483 1.700 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1cncn1C 796089119 WXSZZESBMYYKPV-CKEIUWERSA-N 419.482 1.053 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)n1cnc(C#N)n1 798849228 XFFAVXNREDHUIU-ZETCQYMHSA-N 407.761 1.888 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1cc(C(=O)C2CC2)ccc1Cl)n1cnc(C#N)n1 798865151 UKFKCZMYOVNNPP-VIFPVBQESA-N 407.839 1.462 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1C#N 803299612 MORJSRBJKKVOQT-MRXNPFEDSA-N 422.485 1.897 30 10 HDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC)[C@@H]1CCS(=O)(=O)C1 812039239 MIYKKAGVTQAKFM-RHSMWYFYSA-N 402.476 1.437 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 813243388 OPZDDHMHVBUTIW-ACBHZAAOSA-N 422.570 1.924 30 10 HDEE Cn1c(S)nc2cc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)ccc2c1=O 916178622 GLUWZSLVLQIPFQ-UHFFFAOYSA-N 414.468 1.354 30 10 HDEE C#CCOCCNC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1137795403 HQZYCQMHHGMBPK-KRWDZBQOSA-N 401.463 1.844 30 10 HDEE C#CCN(CC(=O)NCc1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 1141269296 BXGGOQPQGBBISM-UHFFFAOYSA-N 409.508 1.423 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)no1 1154121348 OFPIJURUJKONOD-INIZCTEOSA-N 404.467 1.928 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)cs1 1156699092 GCEMXDSMRALFAN-UHFFFAOYSA-N 415.500 1.951 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1168179632 FZLGPWLKNQTNJU-OAHLLOKOSA-N 420.535 1.269 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H](NS(=O)(=O)c3cccs3)[C@H](C)O)cc21 1179493921 HABJYMQJOYUCKZ-YVEFUNNKSA-N 420.516 1.950 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN=c2cc[nH]cc2)C1 1182433884 MHWXAHMDRITQEY-UHFFFAOYSA-N 400.280 1.802 30 10 HDEE O=C(Cn1c(=O)cnc2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273841 XXVZFNROAKCUKY-UHFFFAOYSA-N 406.398 1.301 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(CCc2cnccn2)CC1 1197193849 GOPQHXWSSURGOA-UHFFFAOYSA-N 416.489 1.333 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c(F)c1 1248442996 ABMCEEYWENMTDN-ALOPSCKCSA-N 420.510 1.885 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1248582098 PNFXOVHQOPWPQT-NSHDSACASA-N 410.323 1.898 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1253674776 WYVPQFRVKIYMKX-HXUWFJFHSA-N 414.550 1.789 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1286289005 IZOHZMBXMGRWJX-QKKBWIMNSA-N 407.478 1.118 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286323889 JUHIZRYJABLWNI-ROUUACIJSA-N 404.536 1.602 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286339396 VSHLZXWRFYYNIG-MRXNPFEDSA-N 415.498 1.879 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286383472 DGHWHRHMJXMPEQ-IRXDYDNUSA-N 407.584 1.543 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(-n2cncn2)c1 1286465847 SLXGUXMYBRFHTG-IBGZPJMESA-N 421.505 1.887 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(F)(F)CO1 1286469610 WHSMMBYCLKHZFU-INIZCTEOSA-N 408.453 1.650 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2CCS(=O)(=O)CC2)CC1 1286637655 JOIKSAPMTVZPLR-MRXNPFEDSA-N 412.556 1.983 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286786595 HOKDRLAVIWTPRW-JKSUJKDBSA-N 400.483 1.191 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(C)CC1 1286819142 BJQBOKAONHLSLL-GPANFISMSA-N 409.556 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286821041 YXPIFLNUEHEMDH-HOTGVXAUSA-N 423.583 1.715 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1286965825 OEPQTZREVUHWHP-ZDUSSCGKSA-N 402.455 1.143 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1287136667 DLICZMHQDFYWLX-QFIPXVFZSA-N 424.505 1.585 30 10 HDEE C[C@@H]1COCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1291297784 CTDVWCAFPUDJIF-PVAVHDDUSA-N 407.540 1.593 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CN(Cc2ccccc2)C[C@]12CCOC2 1295143850 CUCCPDKTUDRZHJ-XXBNENTESA-N 422.533 1.793 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(I)c2O)CC1 1297803109 UKWNBHACYVVQCS-UHFFFAOYSA-N 414.199 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1300281243 IFDLYAVOTRSANV-KRWDZBQOSA-N 405.506 1.439 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300671827 QNAOTGSFFXPBGN-MRXNPFEDSA-N 411.572 1.234 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2[C@@H]2C[C@H]2CF)n1 1300681430 PBWZFCPCRBZXIX-MAUKXSAKSA-N 412.473 1.692 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1300735072 BCKZKEDKVSPHDE-CRAIPNDOSA-N 405.520 1.672 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(N)=O)C1 1300862727 CWRIQIGCHOUZND-AVGNSLFASA-N 414.304 1.222 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301077798 SPWLYECPLIGVPL-LAQRGFTBSA-N 422.505 1.163 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1301229469 RLCQMOFRMFMIKQ-HNNXBMFYSA-N 401.471 1.636 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1301259572 NTMZGSYBEQFRTA-SJLPKXTDSA-N 403.527 1.997 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CCO1 1301375463 QATMYYVZUNUHGH-LJQANCHMSA-N 414.510 1.247 30 10 HDEE CC(C)c1nnc(N(C)C[C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1302584536 HXNOYMJPCBVTAN-QFPXGYFVSA-N 402.499 1.933 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)NCc2cncc(C#N)c2)(S(C)(=O)=O)CC1 1303861342 KXGPTXIUKKDLMW-UHFFFAOYSA-N 422.507 1.384 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[C@H]2CCCS2(=O)=O)C1 1312469791 QXTRJHJWENUVJQ-MJBXVCDLSA-N 400.501 1.012 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1 1312626538 OPYCYHOQNANRIF-AOGUMVSFSA-N 400.504 1.354 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)nn1 1312898018 GKTMFBIXJMOYAG-QGZVFWFLSA-N 412.494 1.594 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)nn1 1312899010 XPGOUEPIMGPXJQ-HNNXBMFYSA-N 415.473 1.458 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCCc1ccc(C#N)cc1 1313003072 HPBRXKXDZMLZCM-UHFFFAOYSA-N 415.519 1.526 30 10 HDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314477650 QAXIIQCNKNECRR-UHFFFAOYSA-N 412.498 1.046 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1314823926 VDMKIKIWXCAGDA-AWEZNQCLSA-N 417.420 1.896 30 10 HDEE COC[C@@H](C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1315777268 GIJBPOPKJWCVSA-KBPBESRZSA-N 409.450 1.605 30 10 HDEE C[C@H]1Oc2ccccc2N(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1354673708 GHNWIMBIGUVTSS-CQSZACIVSA-N 402.414 1.951 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@H]2COCCO2)c1 1358903112 LKRDNWWNEABUQY-GOSISDBHSA-N 413.478 1.286 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1359013179 NNCGRUAKVPWTTQ-UHFFFAOYSA-N 417.535 1.661 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359049434 PLKCALVLSNUHDJ-HNAYVOBHSA-N 407.540 1.085 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359096632 FCEIGKNDIHJPOZ-KSZLIROESA-N 417.535 1.945 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1359167045 REMXVQPEBAZKCM-IBGZPJMESA-N 410.522 1.915 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1359214027 PQQSNAZZPMJGRH-OAHLLOKOSA-N 421.505 1.860 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1359230036 CNHJQOHSVQZBEM-UHFFFAOYSA-N 412.538 1.919 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1359238479 MCKCBTKATOAWJU-QFIPXVFZSA-N 421.505 1.775 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H]1CCCOC1 1359296665 QHLIDHVRZORAJJ-OAHLLOKOSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1359297842 DOENWPMUXBFHSB-HXUWFJFHSA-N 400.483 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359327194 VDSDRFNBTSRBCG-GPMSIDNRSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359327196 VDSDRFNBTSRBCG-MDZRGWNJSA-N 412.556 1.777 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)OC)CC[C@H](C)c3ccccc32)C1=O 1440143690 HDTRHYBEUINQFZ-ZSEKCTLFSA-N 413.430 1.045 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NC(=O)COc2ccccc2)CC1 1444363763 XEBCUAPEXUZDBB-IBGZPJMESA-N 403.548 1.471 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCn2cncn2)CC1 1444667495 GQXDRBINYSISNM-HNNXBMFYSA-N 412.922 1.458 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](C#N)CO)c1 1449518414 GRMRSYXTUSRSCQ-SECBINFHSA-N 404.286 1.140 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCC3=NNC(=O)C3)C2)C1 1450667166 QWVFCBJYLVMGIO-DMAKZNTKSA-N 403.483 1.546 30 10 HDEE CN(C)CCOc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1451193657 GZIAPYCYHDCFTD-UHFFFAOYSA-N 420.466 1.443 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1456283282 AGLDOGFTLANDKT-HZPDHXFCSA-N 423.510 1.326 30 10 HDEE C#C[C@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1460133514 ULYDLXOSDCTIGH-OXJNMPFZSA-N 407.536 1.734 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1461728916 NBXIGEIBWIVXQY-KDURUIRLSA-N 417.531 1.863 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(F)(F)F)s2)CC1 1471233244 SFYSHMXFPUIEAV-UHFFFAOYSA-N 410.443 1.062 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(C)OCCc2ccccc21 1471553044 MDCMJWKATJHXMJ-BTYIYWSLSA-N 413.499 1.829 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)cc1 1472038299 KXOKGNRAXOMTSW-SFHVURJKSA-N 400.456 1.166 30 10 HDEE COC(=O)c1ccc(N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)c(C#N)n1 1472862437 NDYFGWLCYTZEAC-QFIPXVFZSA-N 406.442 1.748 30 10 HDEE C#C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C1CCOCC1 1475513676 BGVGOYIADLHKAD-SFHVURJKSA-N 418.515 1.657 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1478854076 HHBHPHRRYFFHSP-KXBFYZLASA-N 403.479 1.762 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1493168354 DDPGRJPXGCIDKD-QRQCRPRQSA-N 420.473 1.984 30 10 HDEE CCc1nnc(N2CCCC[C@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499085557 NNBJEWYOYORVGG-MJWGMMHASA-N 402.499 1.620 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)c1ccco1 1507613377 ZFIZDUDUYWBDKV-QFIPXVFZSA-N 418.457 1.762 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@@H]1CCS(=O)(=O)C1 1507623891 YUNDUFCVXRYSLZ-IAGOWNOFSA-N 416.551 1.487 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507627897 UKNIIDCADRBXDJ-MSOLQXFVSA-N 406.483 1.740 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507635631 YAQHWCQEGBUIMQ-QZTJIDSGSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1507655259 DHLWGRVBGLRDIB-MRXNPFEDSA-N 416.478 1.504 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCOc1ccc(Cl)cn1 1507711018 YALGNQVHKYAQLY-UHFFFAOYSA-N 413.869 1.949 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC2(CCOCC2)C1 1507755260 SPPBCNVVWDBLGH-MRXNPFEDSA-N 403.552 1.993 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1507962620 UZEUFORUZKPULN-QGZVFWFLSA-N 422.555 1.675 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1508020068 NMVDLCUGUNDLQM-CVEARBPZSA-N 409.556 1.836 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1508061747 VUBHRZFDZUPBKU-HNNXBMFYSA-N 403.487 1.210 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508072165 CHBSQHHNZGMXMV-FQEVSTJZSA-N 414.897 1.760 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508086680 OCCRQVCQAAQUJQ-OAQYLSRUSA-N 412.469 1.027 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCNC2=O)CC1 1508155117 IZVQCBQYXFAROU-UHFFFAOYSA-N 414.539 1.648 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1508423043 HUJPIADDUGXFJX-KUHUBIRLSA-N 421.498 1.153 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1519478045 DIJXWCLYHRPTKX-OAHLLOKOSA-N 420.420 1.335 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CCO1 1521128359 CAWMLEQLNNTUDD-DOTOQJQBSA-N 419.482 1.291 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 1525698611 JUVCBWCGBAYAQK-UHFFFAOYSA-N 402.407 1.350 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](NC(C)=O)C1 1525999387 DINCOGMLOLCDAI-ZDUSSCGKSA-N 410.268 1.835 30 10 HDEE CO[C@@H]1COCC[C@@H]1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536933261 IDOPZKXRIHTWJD-RBUKOAKNSA-N 421.519 1.221 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1539012055 DZQQWRRBRLKORZ-NVXWUHKLSA-N 417.535 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1539012410 GAHBXZTYIRKMBM-XLAORIBOSA-N 407.584 1.759 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1539116086 KYFOSFZWHCWDQW-KRWDZBQOSA-N 416.551 1.828 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1539155378 SPKJMIVBOAUXSL-UHFFFAOYSA-N 413.507 1.344 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1539175496 ZQGSWTLMQKIVHF-HUUCEWRRSA-N 404.515 1.848 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539180037 VJJAFKOHDUOUTR-INIZCTEOSA-N 403.508 1.150 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1539232045 YUHQBJIPRMDQTO-QGZVFWFLSA-N 420.510 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(OCCO)c(OC)c1 1539256619 BXTDZXPKRFWTGV-UHFFFAOYSA-N 417.469 1.841 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1539350562 QEJFNJBCJXIRSP-IBGZPJMESA-N 420.560 1.676 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(N(C)C)c2)CC1 1539427358 BXUNPPBPQQNBEB-UHFFFAOYSA-N 421.549 1.384 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1cnnn1C 1539566323 GFXCBYDADPAVFE-LJQANCHMSA-N 410.507 1.439 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539802909 BTZDHDMNLGUPSW-AWEZNQCLSA-N 405.890 1.660 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCO[C@H](C)C2)C1 1540893117 XLFJKGGRSVPVAV-XMTFNYHQSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)C(C)C)CC1 1540907307 RVDAFPOZCOITRO-UHFFFAOYSA-N 409.556 1.136 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1CCS(=O)(=O)CC1 1556091036 XFOBDKSJTVKQFO-OAHLLOKOSA-N 401.529 1.905 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)c1 1557328117 YXGQXGFRHPWJOF-QGZVFWFLSA-N 401.488 1.657 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557720775 DGPMJUJNFDTPIT-CQSZACIVSA-N 409.471 1.420 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCC(=O)OC 1557879308 PNDWASLOLWPQET-LBPRGKRZSA-N 405.879 1.208 30 10 HDEE C[C@@H](CC(=O)NC[C@@H]1C[C@H]1C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1557986704 NMOMRMYATMNQCK-QRTARXTBSA-N 405.520 1.683 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2scc(Br)c2C)CC1 1558074563 DERULWVHKDHMRI-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE N#Cc1ccc(F)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1559064240 GHTICDYUYVDBDY-UHFFFAOYSA-N 400.435 1.703 30 10 HDEE Cn1cc(CNC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c(-c2ccc(C#N)cc2)n1 1564544967 YLMUMPWAEDTCSR-SFHVURJKSA-N 422.489 1.131 30 10 HDEE Nc1c(Br)cc(Cl)cc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565630295 WQXDSYSRKLVGTM-SQFISAMPSA-N 413.659 1.941 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c23)c1 1570572771 UYRCAWLWYBXABX-UHFFFAOYSA-N 401.448 1.287 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 1583105701 UXPSXIUBTBKWGY-UHFFFAOYSA-N 412.511 1.859 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 1587146273 IHNSLGKHJGBFAV-KDOFPFPSSA-N 414.487 1.141 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1587554979 BQKHUQROEWKCHV-CQSZACIVSA-N 414.897 1.622 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1587851672 MGQPTWHWKOFUHM-IRXDYDNUSA-N 408.510 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCOC 1588124634 PJGBWNFLBYUMSL-UHFFFAOYSA-N 414.535 1.738 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1588138255 BDOASQNBXCELHH-IRXDYDNUSA-N 402.520 1.070 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCS(C)(=O)=O 1589164663 XXUJIQJYMBUNNI-MOPGFXCFSA-N 410.540 1.357 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1595551100 LVZAYOHOYMSUJE-GJZGRUSLSA-N 409.556 1.355 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 1595556994 IAJLJJAVSPCBSW-CQSZACIVSA-N 417.915 1.986 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCNC(=O)[C@H]1CC 1595570097 XKQVSRBOVLCFJX-QGZVFWFLSA-N 421.505 1.298 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCN(CCC)C2)C1 1595714385 NOIYRGDDVODCHO-KZNAEPCWSA-N 402.543 1.742 30 10 HDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1597802411 RVOSUQUDSODFDE-AEFFLSMTSA-N 408.506 1.940 30 10 HDEE C[C@H]1COCCN1CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1613012141 CBINZXNHVIIQIL-FUHWJXTLSA-N 414.485 1.457 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1613055101 BKJBVESMIMZPNF-KRWDZBQOSA-N 424.505 1.749 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1614069753 FCVPCPDIOJZAQC-LAUBAEHRSA-N 410.478 1.337 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)cc1 1616198373 CZZCKCGKMOCEJN-SFHVURJKSA-N 424.544 1.803 30 10 HDEE CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1618171973 VHGKDGOLYXHYBH-IFXJQAMLSA-N 400.460 1.281 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1620099397 BOZYKUPALZHKMW-YLAKUSLOSA-N 422.505 1.165 30 10 HDEE CON(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1620127043 IMNZJOOTRMKBQJ-VHEBQXMUSA-N 412.450 1.690 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCCCO)cc1 1620350197 FHORUZMEMULTTK-FQEVSTJZSA-N 410.522 1.890 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(OC(C)(C)C)n1)c1cc[nH]n1 1624423667 XKDCMBOTVPKAEM-UHFFFAOYSA-N 403.439 1.582 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1626393816 VFZCOGYRBYORLJ-GJZGRUSLSA-N 423.510 1.209 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1627189754 NIWLAVOOBRUVSK-TWGQIWQCSA-N 410.449 1.658 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)c2nc(S(N)(=O)=O)c3ccccn23)cc1 1628025945 FRDNPCSRCQAZBJ-UHFFFAOYSA-N 413.459 1.941 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCN1CCN(C(=O)OC(C)(C)C)CC1 1628662701 QAMLGAZUTKKUSH-IBGZPJMESA-N 416.522 1.993 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS[C@@H]3COCC[C@@H]32)s1 1630567149 KUHHCIYFJQSITI-UONOGXRCSA-N 402.563 1.488 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1631269200 JLONIJCMHOVGBG-CABCVRRESA-N 403.545 1.906 30 10 HDEE CC[C@@H]1Cc2c(Br)cccc2CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1634109513 DBKMTKCTFJRGTC-CYBMUJFWSA-N 417.263 1.947 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918586 JXVSTBJPKFXFGV-PKOBYXMFSA-N 408.462 1.176 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1639434979 VOMFNBUWBDVPCL-KSFYIVLOSA-N 422.481 1.777 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1OC 1639638401 UMRBJVQNJVIVHF-FQEVSTJZSA-N 409.442 1.905 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1639747904 YUJMRLBMMQPVJM-UHFFFAOYSA-N 415.343 1.140 30 10 HDEE Cc1ccc(C(=O)N2CCC(CO)(NCC(C)C)CC2)cc1S(=O)(=O)NCC#N 1642402732 FUCJQLAWWMOGED-UHFFFAOYSA-N 422.551 1.010 30 10 HDEE O=C(N[C@H]1CCN(CC(F)F)C1)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1643011946 OLFOGSHSGSCHAM-ZETCQYMHSA-N 406.302 1.901 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)[C@H](C)C2)cc1 1644559021 GRJOUEXCMPMFNN-MRXNPFEDSA-N 400.504 1.897 30 10 HDEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1645104638 OODUJOBEOFHSBK-HNNXBMFYSA-N 420.535 1.411 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)CNc3ccc(C#N)cn3)O2)C1 1645706146 BPFMKTOCNDNUBG-HNNXBMFYSA-N 401.467 1.650 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cncs1 1645895280 HOOBXLRPIJVBOI-ZDUSSCGKSA-N 420.516 1.595 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC#C[C@H]2CCCCO2)c1 1647804589 MWYYTSWWTUQUMO-GFCCVEGCSA-N 415.309 1.660 30 10 HDEE CS(=O)(=O)C[C@@H](O)CNC(=O)c1ccccc1SCc1ccc(C#N)cc1 1648136390 UDOSDQMAWIDAOZ-INIZCTEOSA-N 404.513 1.986 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC[C@@H]3[C@@H](C)O)nnc12 1651154693 YNVZHQSZOPCIMU-UKRRQHHQSA-N 413.503 1.694 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@@H](C#N)CCc2ccccc2)cn1 1651776305 YRRDHKULOHEJIE-MJGOQNOKSA-N 400.504 1.881 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 1654936656 XIPDSVDSOXGOGB-LJQANCHMSA-N 414.487 1.526 30 10 HDEE CS(=O)(=O)N1CCN(CCNc2cc(Br)c(C#N)cc2F)CC1 1655027490 DBWZHKYOWWUTFL-UHFFFAOYSA-N 405.293 1.449 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCc2c(C#N)cccc21 1659288228 KPBKYMZYLMWVJO-CQSZACIVSA-N 410.499 1.936 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1662927382 FCGOKWABWZFFKT-LJQANCHMSA-N 408.520 1.729 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OC 1664237450 BAOWVXRXXFPVQS-CYBMUJFWSA-N 409.913 1.920 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)nn1 1673802594 CZDJKHZMKBOZFU-CYBMUJFWSA-N 402.421 1.797 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]1c1ncc(Br)cn1 1685845762 KQNSFMUNTKDGSC-LBPRGKRZSA-N 403.302 1.686 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1689873639 QNYIWHBQMBOMNO-UTKZUKDTSA-N 403.527 1.994 30 10 HDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1689901027 ZGIVEFVTWZEXHS-UHFFFAOYSA-N 414.579 1.992 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1689902253 XXJGRJUUOAZNSY-KRWDZBQOSA-N 413.526 1.244 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1689906949 WXDPQBVQPFHKOH-VXKWHMMOSA-N 415.538 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSCC=C 1690008593 LJWFALGMFDUJHN-UHFFFAOYSA-N 404.503 1.913 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCN2CCCO)CC1 1690119886 WTNXOLXJHHZIGM-OAQYLSRUSA-N 422.577 1.856 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccn(Cc3ccccc3)n2)CC1 1690137891 KVFYQNDCJXFWHO-UHFFFAOYSA-N 417.517 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2OCCC2(C)C)CC1 1690154357 MOECCXBXKQKMMJ-QZTJIDSGSA-N 415.538 1.911 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnn(C)n1 1690258778 SZUOODSASWOPKJ-UHFFFAOYSA-N 416.511 1.323 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1690316108 XDPCUCNQLIXSNO-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1)C1CC1 1690545351 OZDONHFRNSNXDM-QGZVFWFLSA-N 409.556 1.956 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)NC)C1 1690688695 ZJKFZVKERQEJAL-JXFKEZNVSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(CC(=O)NC)CC1 1690715256 HBYDBTDXBCUTBG-OAHLLOKOSA-N 411.572 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690723263 MGGVZBMNHYBRCF-INIZCTEOSA-N 424.567 1.778 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1692542192 FBSPXHUNHDFAAV-SJLPKXTDSA-N 411.510 1.670 30 10 HDEE CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1695330056 VHEBODQQEBXPBC-IGGDJGDASA-N 414.510 1.935 30 10 HDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1697083631 HAKACWQLRDNVGS-UHFFFAOYSA-N 414.466 1.388 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697121501 GEJBFKPLRVQTHL-AEFFLSMTSA-N 411.510 1.800 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1705521795 LUJBQOQLHMMOLR-UHFFFAOYSA-N 400.527 1.306 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705533621 PRNAGKOTLPYYTD-QGZVFWFLSA-N 416.526 1.947 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1705560972 PDVPKVBQCRTQCT-KRWDZBQOSA-N 418.567 1.569 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1705579452 WRDUWPHHZYJNKO-UHFFFAOYSA-N 407.474 1.309 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705581373 ZXEOFXVBFGSOOJ-MJGOQNOKSA-N 416.485 1.355 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1705612809 PKEKZYKCGBHMSX-IAGOWNOFSA-N 407.540 1.427 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCn2ccnn2)CC1 1705641484 HRHAYTUCIQGCCP-UHFFFAOYSA-N 418.549 1.890 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN(C)CCCOC 1705676569 GYFPTCQRAXRKCI-OAQYLSRUSA-N 402.543 1.361 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCOCC2)CC1 1705780616 TYGZWKABIXUDAA-KRWDZBQOSA-N 402.543 1.742 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnnn1C 1708524068 AGUSNHAQBMCCAT-HNNXBMFYSA-N 406.498 1.562 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712882871 OBUSDBNQLLGMLL-UHHPSXQGSA-N 411.466 1.048 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1722335818 GYYCYQXXFUQAIM-KRWDZBQOSA-N 411.485 1.893 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cc1F 1722419251 VDJNMMSITZOBNU-UHFFFAOYSA-N 403.433 1.927 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCn2cncn2)n1 1722427776 NQEBYVIMNNJBDN-UHFFFAOYSA-N 411.514 1.350 30 10 HDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722530191 BJLPOOGSSJYMQW-SFHVURJKSA-N 415.494 1.498 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 1722619722 IPOKIHVAQIBFJK-INIZCTEOSA-N 416.551 1.757 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722625053 NLABHCXVKWKPGW-SFHVURJKSA-N 414.510 1.583 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1722674647 RWIQIFUELZJSQK-QRWLVFNGSA-N 416.482 1.104 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(CCC(N)=O)CC1 1722694258 POWJYOLGGVDRLQ-UHFFFAOYSA-N 400.483 1.631 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 1722697454 KXUGCUGBUFMBAF-GOSISDBHSA-N 423.452 1.754 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCSCC1 1722698236 XBIONEUVMUIXOY-UHFFFAOYSA-N 411.491 1.449 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)NC(C)C)C1 1722712196 MMOHHZZTQAXRIG-QGZVFWFLSA-N 420.539 1.449 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722735117 HHDROUKWNDACJV-UHFFFAOYSA-N 417.583 1.413 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1729408609 HMTKKHBPUSCJPI-KRWDZBQOSA-N 421.505 1.783 30 10 HDEE CN1CCCC(C)(C)[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1729596638 DLWXBKCSGJKOJX-IAGOWNOFSA-N 415.542 1.250 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1730596578 XEFHGMTZEUHIRA-WIYYLYMNSA-N 413.478 1.474 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCO[C@H]2CCOC2)C1 1731181174 GTYNVQSGTQGXDS-PXNSSMCTSA-N 400.458 1.901 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCO[C@H]2CCOC2)C1 1731183998 XRJQIJCFTATICS-FXAWDEMLSA-N 400.458 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1740543851 XOPXNGACSRGWDB-ZFWWWQNUSA-N 424.461 1.162 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1740548320 AGXUUNGRMZXPEC-WMZOPIPTSA-N 413.526 1.571 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cnc2c(Cl)cnn2c1 1740598595 WGMXDOLTPCHFLF-UHFFFAOYSA-N 412.885 1.522 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740620212 CGSDWQWRDLMULC-QZTJIDSGSA-N 413.503 1.312 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740625202 OVNYRBKSPCWZCU-IBGZPJMESA-N 419.595 1.733 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740715027 QWAVXUOGGAAXLQ-SFHVURJKSA-N 412.563 1.865 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)CC1 1740720552 CLZKUHHFPNHYLZ-UHFFFAOYSA-N 422.562 1.690 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740961356 UMTUCIVNEWSKLO-FQEVSTJZSA-N 401.515 1.264 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H]1C 1740990324 QSGANRWBNPGSLN-KGLIPLIRSA-N 421.523 1.841 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1741123839 BMDIWQCAALHJIC-VXGBXAGGSA-N 414.923 1.034 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1748666903 KBGZLKTXCFZRSX-KGLIPLIRSA-N 411.453 1.518 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccccn1 1748776118 AISDOBWVOURDBW-UHFFFAOYSA-N 424.530 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCC2 1748906361 CVPFZTOWDAVTEI-LPHOPBHVSA-N 409.494 1.051 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCSC)CC1 1748989799 PFTVHRZHOFZZEE-MRXNPFEDSA-N 411.597 1.079 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1748990679 ZYHJRFCIHIETFF-UHFFFAOYSA-N 406.534 1.566 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCOC[C@H]2C)CC1 1748994111 AVTMMIVIPNSMKU-LJQANCHMSA-N 400.571 1.487 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCC(=O)N(C)C)CC1 1749006409 MXEKUWXACBLHFB-UHFFFAOYSA-N 412.494 1.291 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749037407 CRAWMJWIHVMZMM-UHFFFAOYSA-N 404.584 1.244 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccon1 1749118488 GRPMJXNZCMKVBG-FMKPAKJESA-N 424.527 1.494 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207303 IBTDJKLWXXNWFB-SOUVJXGZSA-N 404.515 1.937 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1749270059 ZWRUCOQHEXYNFC-HUUCEWRRSA-N 418.947 1.565 30 10 HDEE C=CCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1749418144 YOARJOOKSVWZHA-INIZCTEOSA-N 414.897 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749664344 KXTLNKXZAKQQTO-OAQYLSRUSA-N 412.494 1.218 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1750757043 BDWLKGXWDKWAIP-SFHVURJKSA-N 402.543 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(C2CC2)C1 1760211055 AABWPBGGZNNULI-XXBNENTESA-N 411.550 1.877 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(CC)noc2C)CC1 1760261749 WEQRTMOQHWQYJI-UHFFFAOYSA-N 422.537 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(C(N)=O)c1 1760297533 XWSVKMWDQNZNQU-JOCHJYFZSA-N 406.490 1.540 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760461676 CPNPKDKUTIITPQ-HRCADAONSA-N 416.505 1.198 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1760522089 LRKJPNPQYNXWFP-ARFHVFGLSA-N 409.556 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCN(CC)CC2)C1 1760547919 UONAUOYNKQNAOD-VQTJNVASSA-N 418.586 1.939 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)COCCO2)CCOC1 1765846803 AVDHFHFCWPBLQY-SFTDATJTSA-N 419.526 1.866 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1768286586 XYHAMOCULOAWJC-QGZVFWFLSA-N 407.475 1.111 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1768982410 BDMDLFIGQFAJPD-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOCC(F)F)CCN1C1CC1 1770747020 DXLRILBLONKTAQ-ZBFHGGJFSA-N 410.469 1.630 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)o1 1771533273 FQKNAMOCPLVOTA-ZDUSSCGKSA-N 424.383 1.636 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848667884 UGGTZZGEUOVSAA-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE C[C@@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 1849998783 LDVPXVXHUQIGAM-HNNXBMFYSA-N 417.469 1.971 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CCCCN3C(=O)c3cccnc3)CO2)nc1 1851793123 CYEOUYYNCMOAOR-ZWKOTPCHSA-N 407.430 1.707 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ncc(Br)nc2Br)CC1=O 1851919628 CKGJFFWMUMUHRW-SSDOTTSWSA-N 404.062 1.975 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1851951022 SPOBKKCREJFILY-SFHVURJKSA-N 420.517 1.993 30 10 HDEE N#Cc1ccc(COC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1F 1852459285 ALTLTDPNNFHISY-ZDUSSCGKSA-N 423.388 1.849 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1853696191 LLVCOKREZXCJOX-PBHICJAKSA-N 423.922 1.656 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC(S(=O)(=O)c3ccccc3)CC2)C1=O 1853998707 ZMZORTJLLCVFGS-SFHVURJKSA-N 403.504 1.746 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(OC)nc2)C1=O 1854131094 BSEXMXUKBRRCPO-SJORKVTESA-N 400.479 1.330 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccncc4F)C(=O)C3)C2)cc1 1854215026 VIVLOSVSGSDLBZ-SFHVURJKSA-N 407.449 1.651 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)C12CCCC2 1854498246 LJNRNGUNJKRWTJ-INIZCTEOSA-N 424.567 1.334 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1C1C(=O)CC(C)(C)CC1=O 1854904419 AQWXIKCIHDMAMB-HNNXBMFYSA-N 409.486 1.877 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2C[C@H](C3CCN(CCCC#N)CC3)CC2=O)C1 1855060979 SJDNYZOBKDELND-ZWKOTPCHSA-N 404.511 1.856 30 10 HDEE COCc1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)n(C)c1 1855897099 FWUQBQUZDKXEOH-INIZCTEOSA-N 410.474 1.795 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4ncccn4)C3)C2=O)ccn1 1856418370 QNLQRDNWQHGOFD-CRAIPNDOSA-N 406.446 1.275 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)[C@H]1C 1856826623 LRUBMQHDDMYNMR-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857066827 ACDIETLPUOOPAA-APWZRJJASA-N 413.522 1.317 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857228254 OBTTYPKBMXSTCH-PBHICJAKSA-N 400.479 1.261 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1857356528 JSRFLJVGJNHTGE-LJQANCHMSA-N 417.531 1.994 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN(CCO)CCCC 1870541359 CJJUFXWSGLXRDG-IBGZPJMESA-N 421.538 1.303 30 10 HDEE C=CCNC(=O)CNC(=O)CNC(=O)c1cc2ccccc2n1Cc1ccccc1 1873841508 WMVHPCJJDWTSJU-UHFFFAOYSA-N 404.470 1.838 30 10 HDEE CN(C)CC#CC1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1889647183 BIQBKJPDOPKOSF-MRXNPFEDSA-N 400.548 1.573 30 10 HDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)N3CCC[C@@H]3C#CCN(C)C)n2)c1 1890267437 KXGMSUKZVCQCEG-KRWDZBQOSA-N 424.501 1.484 30 10 HDEE CN(C)CC#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1891462340 QPACMAFGZPSAIS-UHFFFAOYSA-N 423.604 1.952 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1962360429 RXMLESVKBQURKD-INIZCTEOSA-N 423.535 1.960 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 1984788375 LTSGATDUYOHRCQ-VGOFRKELSA-N 415.490 1.749 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010404096 OMVROOXGUGVVTP-OCCSQVGLSA-N 418.303 1.875 30 10 HDEE C#CCCN1CC[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2139351225 FJGMKWKUYMEIJR-INIZCTEOSA-N 417.531 1.326 30 10 HDEE COC1CN(S(=O)(=O)N[C@H](C)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2177635833 RLBFRLDTEDJCLH-LLVKDONJSA-N 402.347 1.273 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243673939 CMPSDHOIQTVFCX-UHFFFAOYSA-N 424.332 1.501 30 10 HDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826159 PEWDKHNMZFDSSD-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)[C@H]2CCOC2)n1 2247921014 ICQQGYSSXLLKDX-INIZCTEOSA-N 412.299 1.546 30 10 HDEE C#C[C@H]1CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167592 DMTDOQITRRMJQU-UAGQMJEPSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COC[C@@H]3F)cc2Cl)OC1(C)C 2267706113 RKNPHCGPPCKTJS-VHSXEESVSA-N 411.713 1.716 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCSC[C@@H]2S(=O)(=O)CC)C1 2281224311 XFFQMGVJLZXEGV-FVRSWCFKSA-N 416.565 1.629 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282323183 WWRIBYAZYLRSJL-VWLOTQADSA-N 405.322 1.172 30 10 HDEE CNC(=O)OCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337813 NNYXDDXDWHOLIW-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE CCCCN(CC(N)=O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338582 SBKNALKGBANOLT-UHFFFAOYSA-N 402.347 1.323 30 10 HDEE C[C@H]1CNC[C@@H](C)[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494779 CHYRBOOGGWAWTF-JYAVWHMHSA-N 400.375 1.570 30 10 HDEE CCN1CC[C@H](N(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282495563 NZGKQVDHORZOEJ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CN(CC1(C)COC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282512196 RJVPCJPOFGQQDY-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE CCSC[C@H](C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838052 ZJDSXFDZBKYLKQ-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE CCCN(C)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282850725 SGUKSJGIGNCHDI-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@H](CO)C3)c2)OC1(C)C 2282852322 NQQWKWIHPQKQBA-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE C[C@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852544 QITMNRXPJSXEBW-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CC[C@@H](CN)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856505 UCOMLFKPPHVZPJ-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC(C)S(=O)(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282857923 ORLUNRWWANHXGK-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CO[C@H]1COC[C@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858864 DLIBDDYIDDOOCT-OLZOCXBDSA-N 403.331 1.082 30 10 HDEE CN(CC1(O)CCCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282859648 OVDCRDGFFRQVRV-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cscc1F 2282863022 LYAKMCNINMTOLC-UHFFFAOYSA-N 401.294 1.398 30 10 HDEE CN1CCC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866204 FYBIFQGGAYIJBK-CQSZACIVSA-N 400.375 1.561 30 10 HDEE CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282867981 GWYXRVUQDZZWQZ-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE C[C@H]1CNC[C@H]1CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882201 IGHVNNFGZKCDHV-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE Cc1nc(O)sc1S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2284117163 CVMMWVYDUOEDCC-UHFFFAOYSA-N 417.343 1.391 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284413245 IRLVSJZWVYUBSR-UHFFFAOYSA-N 407.294 1.141 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415601 PEWXPPUDBWAVLC-NSHDSACASA-N 403.331 1.825 30 10 HDEE COC(=O)C1=C(C)NC(=Cc2ccc(CNS(=O)(=O)c3ccccc3)o2)C1=O 2297311012 TVVUKJUEEPTMSQ-UHFFFAOYSA-N 402.428 1.718 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NC[C@H](C)O)C(=O)[C@@]12C 2297590994 MKWRJUDSHLVUAW-PPRQPISWSA-N 401.415 1.539 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccs1 2330748438 NRZMLUDJJNIDID-UHFFFAOYSA-N 418.504 1.859 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@H]4CN[C@@H]3C4)cc2Cl)OC1(C)C 2334267043 XIUSOKWEICVUMC-UISBYWKRSA-N 404.750 1.339 30 10 HDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CCN(C(=O)OCc3ccccc3)C2)CC1 2342040561 RGJFNZIAPUWCOQ-LJQANCHMSA-N 421.471 1.450 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2361671417 WDLSXDQDUGLXQC-OLZOCXBDSA-N 400.375 1.840 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 2365208159 BMJXZGBPNYTKOV-LSDHHAIUSA-N 404.573 1.845 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367805616 CXCKSNYYDLXGJF-CRAIPNDOSA-N 402.557 1.553 30 10 HDEE CCNC(=O)/N=C(/Nc1nc(C)cc(C)n1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101985216 TXAQMJXJKDPGFB-HOTGVXAUSA-N 409.494 1.872 30 10 HDEE CC(=O)Nc1cccc(OCCNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 409531161 ROQYQBLZBQCPLH-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE N#CCC1(CNC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 430421158 GKCVNJXWHYOFJD-KRWDZBQOSA-N 400.479 1.854 30 10 HDEE C=CCN1C(=O)N([C@@H]2CCCN(Cc3nccn3C)C2=O)C(=O)[C@@H]1Cc1ccccc1 431607933 IWSQHODPSTWBEE-MOPGFXCFSA-N 421.501 1.973 30 10 HDEE Cc1csc(NC2CCN(C(=O)C(=O)Nc3nn(C(C)(C)C)cc3C#N)CC2)n1 442575874 POTXWDHYQZFQMQ-UHFFFAOYSA-N 415.523 2.316 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 444288752 RBBUGJDIGZCQCC-JXFKEZNVSA-N 424.519 1.628 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)N4CCC(N(C)C)CC4)no3)cc2C1=O 445612440 KWFWPNQOIVLCSX-UHFFFAOYSA-N 423.473 1.614 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 471000712 IPDIJKSROPCQMR-KXBFYZLASA-N 417.941 1.648 30 10 HDEE COc1cc(Br)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1OC 471901721 VRWRDLJRCRUMNI-AWEZNQCLSA-N 405.270 1.769 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3cnccn3)CC2)c1 487019690 ZJQRLTKPCRLYSS-UHFFFAOYSA-N 402.476 1.625 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488694126 IDMDXUIJGWAQIL-UHFFFAOYSA-N 411.455 1.120 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)CN2CCOCC2)CC1 501066506 FJSSZWISGJNQDC-MOPGFXCFSA-N 423.355 1.324 30 10 HDEE C[C@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccc(C#N)cc2)CC1 507802653 WAZMEXBAFQLUNF-WBVHZDCISA-N 405.520 1.435 30 10 HDEE COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 522748673 VSKJJDYRSTXRHF-UHFFFAOYSA-N 424.457 1.693 30 10 HDEE N#Cc1cccc(-c2cnc(CNS(=O)(=O)C3CN(C(=O)c4ccccc4)C3)[nH]2)c1 543675109 RPNBSHFABWYYDH-UHFFFAOYSA-N 421.482 1.892 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544840387 QPFKKOLNUMBCPZ-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)n1 546879936 CQNWAMNXRKJJJM-IBGZPJMESA-N 404.474 1.586 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 549844755 CAPBRIPVRMGLHL-UHFFFAOYSA-N 421.425 1.628 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 554203622 JNUDDQMUMRYLGW-NRFANRHFSA-N 420.513 1.981 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCCNc2ccc(C(F)(F)F)cn2)c(F)c1 585723517 NFPHPMVVEGMLTL-UHFFFAOYSA-N 423.370 2.346 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NC[C@H](O)CS(=O)(=O)c3cccs3)CC2)c1 586800587 ODUQOFBGPXLGOX-HNNXBMFYSA-N 408.476 1.741 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N1CCC[C@H]1C(=O)NC 606841832 GWCYCUJHRJGEEX-AWEZNQCLSA-N 413.396 1.737 30 10 HDEE CN(C)CCn1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 609604832 KVJIBEGLZRBSEY-KRWDZBQOSA-N 409.450 1.160 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4ccc(F)cn4)CC3)CC2)nc1 611373206 HVPRRPYEOHAFAU-UHFFFAOYSA-N 409.469 1.988 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccccc1Br 727448386 IWSSIBYFCIWJLS-OIOXUXFSSA-N 418.334 1.872 30 10 HDEE C#CCN(CC(=O)NC1CCN(Cc2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 731213837 VHWBDMXWFXMRIG-OAQYLSRUSA-N 417.575 1.198 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1cccs1)N1CCCC1 732441002 BIBLHQJFLFDNDA-MGPWXQLLSA-N 403.508 1.711 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCc1ccn(-c2ccc(F)cc2)n1 744617701 ORPNQCXCEFZEDL-UHFFFAOYSA-N 414.418 1.905 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 758630887 PVGVTTFDHLBTJC-IAGOWNOFSA-N 403.545 1.611 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cnn(C)c3)no2)cc1 769063903 MEDGPCRWJFYDLG-UHFFFAOYSA-N 402.432 1.896 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CCCCS1(=O)=O 772403842 FLZYRFFCZWYZNC-YOEHRIQHSA-N 408.476 1.841 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 773066140 RBBHDERRZWZOOZ-ZBFHGGJFSA-N 409.508 1.748 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 776181751 LUZKTWCRPGKHDV-YHUYYLMFSA-N 423.514 1.912 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccccc1O[C@H](C)C#N 780672082 ZBYXHGSHIMGOPS-RYECPLHJSA-N 401.419 1.934 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780994231 SIDAYOMTQRNGIX-NRFANRHFSA-N 408.458 1.383 30 10 HDEE C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N1CCN(c2ncccn2)CC1 781402130 ZHAIGMSKGDTEGN-MRXNPFEDSA-N 405.458 1.660 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 788819215 VKQWGWZMBGYSOQ-KRWDZBQOSA-N 412.465 1.992 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790236828 YRZNTMWNGZYKHJ-VQTJNVASSA-N 406.483 1.533 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)c1ccnc(C#N)c1 795387621 QDZXZRYRVOAGPO-UHFFFAOYSA-N 411.466 1.870 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798745409 ZGQAGTRNROZTML-ZFWWWQNUSA-N 411.418 1.389 30 10 HDEE COc1ccc(Br)c(CS(=O)(=O)NC(=O)c2ccnc(C#N)c2)c1 802256628 MYZSQCCGGPSBSU-UHFFFAOYSA-N 410.249 1.984 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@]4(CCCOC4)C3)ccc2c1=O 804131123 BUUIFMNRUQJGBL-HXUWFJFHSA-N 401.488 1.893 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 804458626 GKDVXGKUFGVYIG-YLJYHZDGSA-N 417.465 1.668 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)[C@H](O)c3ccc(C#N)cc3)C2=O)c(OC)c1 805442305 TXWPTQFKOVZUJR-UYAOXDASSA-N 409.442 1.526 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(F)cc1 812526117 CPWVKAOLKQKYHD-OAHLLOKOSA-N 400.428 1.989 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1 813980552 HPXRCDPDPAMJFE-HNNXBMFYSA-N 404.473 1.053 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)c1ccc2c(c1)OCO2 1084517223 ZXDBNSDVABXWKB-UHFFFAOYSA-N 412.431 1.847 30 10 HDEE Cn1nc(C2CC2)cc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1134074554 LAJMFESTFFFAHR-QGZVFWFLSA-N 406.446 1.691 30 10 HDEE COC[C@@](C)(CC(=O)OC)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1137046154 IYSCWDYMCYFJKK-GOSISDBHSA-N 424.295 1.841 30 10 HDEE C=C(C)CONC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1144640486 YSCVKFHMRXGFPX-UHFFFAOYSA-N 404.492 1.780 30 10 HDEE C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1150221997 HYZIZTSAOQGLNE-CYBMUJFWSA-N 403.435 1.812 30 10 HDEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1153617377 UIRXCWNALVDNHP-AWEZNQCLSA-N 400.859 1.057 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)s1 1155932502 RRCGOAPCGOGUSD-KBXCAEBGSA-N 414.549 1.551 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1171271108 NGCCDMSQXAVNHP-UHFFFAOYSA-N 415.471 1.888 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(C)(C)S(C)(=O)=O)s1 1176884984 IGJCDEJFUXFBRW-UHFFFAOYSA-N 408.567 1.037 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1212393037 ZJYWCLHIAJRJHB-RBUKOAKNSA-N 408.520 1.729 30 10 HDEE C=CCN(C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)[C@@H](C)COC 1221821741 UDQDAXDQMDPGDI-ROUUACIJSA-N 418.542 1.515 30 10 HDEE C#CCCCCCC(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1284821393 PARVCGJQUROFRM-JRHPMUGDSA-N 401.551 1.596 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286384329 HURFWQQEEZTQFT-HZPDHXFCSA-N 410.540 1.008 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286392790 NUHXJWIYNTWWBF-ROUUACIJSA-N 413.547 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1286431494 OJJLWJHHAIVTEC-KURKYZTESA-N 419.551 1.435 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1286447076 IWHFBOIICSAEDE-IKGGRYGDSA-N 409.556 1.507 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1 1286457470 PVDZCYGOWFTZJK-OAHLLOKOSA-N 423.514 1.470 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(CO)c2)CC1 1286483938 ATHHOFHWBNBCPP-UHFFFAOYSA-N 419.533 1.436 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCn3ccnc3C2)CC1 1286638001 RMGBITZSUHSPKE-HZPDHXFCSA-N 419.555 1.504 30 10 HDEE C=CCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286695299 TZJCEHNKWKSRGQ-LPHOPBHVSA-N 412.556 1.983 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1286762124 BBSJXRVXVKQJMC-UHFFFAOYSA-N 400.483 1.478 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](COC)C1 1286794003 SEQCCFJZSWIPSX-RYRKJORJSA-N 407.515 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1286817949 RAVSWLDAXGTVNV-CQSZACIVSA-N 418.585 1.406 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1OCCC1(C)C 1288814216 CAVBMPBEDSVXBD-GJZGRUSLSA-N 424.571 1.833 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2COCCO2)C1 1288974616 GKLARZSCUGEXOE-YWZLYKJASA-N 411.466 1.471 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1OC 1290232928 RLZCBEDOWFPDOB-UHFFFAOYSA-N 408.454 1.646 30 10 HDEE CSc1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c(O)n1 1291649661 KNCGMKXJUNAOIW-KGENOOAVSA-N 421.504 1.969 30 10 HDEE COC(=O)c1ccccc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1296821133 GHLDBZOXAMFGHA-SFHVURJKSA-N 420.425 1.866 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1297586893 KVLPHXJUAOTTGK-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE CN(CCc1cnccn1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1298625537 DDVPNQILSOSLPQ-ZCXUNETKSA-N 424.509 1.571 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300848387 FLTMJJQQFKEBFX-NWDGAFQWSA-N 407.334 1.560 30 10 HDEE C=CCCOCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1301259942 UDRPDTMUBBIPMK-UHFFFAOYSA-N 404.515 1.689 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1301508458 MGNUYVHQIUHMRO-QFIPXVFZSA-N 410.522 1.328 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301585851 FRTMOIIYGHBQLS-UHFFFAOYSA-N 421.567 1.280 30 10 HDEE C=C(C)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C(=O)OC 1302428085 FEEVHRWFYSYPCN-AWEZNQCLSA-N 400.522 1.699 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1302496019 ULXLRWQCRZJGLR-SFHVURJKSA-N 417.470 1.198 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)CCO1 1303003883 KKJYUODFQCLCKT-INIZCTEOSA-N 421.548 1.484 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 1303412449 IZKMOMZJLHUTMW-HIFRSBDPSA-N 404.410 1.828 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1304236012 XKQXCRBGNBOJNU-ZBFHGGJFSA-N 407.492 1.069 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1305534630 SACFPAPUCAMUBO-HNNXBMFYSA-N 417.539 1.429 30 10 HDEE COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@H]1C 1308081486 NUHDKXOXCNSDGM-ZACQAIPSSA-N 404.536 1.588 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CCO1 1315006451 DNVZUYIDFUTOJX-WMZOPIPTSA-N 410.478 1.195 30 10 HDEE CSC[C@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1316435591 XZCKBCBQIUTJEU-QWHCGFSZSA-N 424.552 1.733 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1320926595 KPAAURPPRBVGPY-HNNXBMFYSA-N 420.535 1.560 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1358890875 WLCXVTUAKAXDNN-WBVHZDCISA-N 404.540 1.623 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1358918865 JODIJXMWRNEMOX-UHFFFAOYSA-N 405.462 1.462 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1359027952 BMDSDFNCFZQFOI-LAUBAEHRSA-N 402.543 1.066 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2([S@@](C)=O)CCC2)CC1 1359037724 UYAKVQCQPAAVRY-GDLZYMKVSA-N 412.563 1.320 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1359039346 FIDBUYPEYZZAGY-UHFFFAOYSA-N 417.535 1.022 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359121778 IBTRBRPLEKFTHU-QGZVFWFLSA-N 423.583 1.840 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1359235570 DYMBFWCHFDNFNL-UHFFFAOYSA-N 409.512 1.476 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359299280 AXYSBBVHTBEXQP-UHFFFAOYSA-N 407.478 1.773 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCc1nccs1 1359330765 CJMBELGBFPEVMQ-UHFFFAOYSA-N 419.536 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCS[C@H](C)C1 1359333630 DTHIAUFBLMBHMU-OAHLLOKOSA-N 407.565 1.806 30 10 HDEE CC[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)N1CCOCC1 1445242611 OVEQIHWGEDIWKW-SFHVURJKSA-N 416.327 1.661 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1452435761 GUXYXTLAIOCEJF-RTBURBONSA-N 405.516 1.924 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCO)Cc2ccc(OC)cc2)ccc1F 1455198122 WXNIPBBAGXFTAF-UHFFFAOYSA-N 422.478 1.933 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(OCC)c(OCC)c1)C1CCN(C)CC1 1456168586 HKRBGTWPRZTFEO-UHFFFAOYSA-N 401.507 1.770 30 10 HDEE O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458000455 ISKZQOVHNIXLLR-HZPDHXFCSA-N 413.430 1.066 30 10 HDEE Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463164813 VGZKPYAMWHJICU-HNAYVOBHSA-N 418.906 1.904 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncns3)CC2)cc1 1468263965 PIOLRWJIBZVTHK-UHFFFAOYSA-N 405.505 1.578 30 10 HDEE CCCS(=O)(=O)N1CCC(NC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1471410026 QNIMWJFHILACHO-IBGZPJMESA-N 420.535 1.845 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C#N)C1 1471765834 HKTIWNOPVYIFFJ-CZUORRHYSA-N 411.911 1.635 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1nccn1C)C(F)(F)F 1472438299 KXUQLTOFZHPQTC-GWCFXTLKSA-N 415.397 1.378 30 10 HDEE CN1CCN(CC2CN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)C2)CC1 1475508798 GYVJHYQNBNMICO-UHFFFAOYSA-N 402.442 1.445 30 10 HDEE C=CCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)[C@@H]1COC[C@@H]12 1489425492 LCVIDWHBQNQUJV-BHQCHZOVSA-N 400.519 1.842 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1493905579 CVSANOSSEHQDQN-OAHLLOKOSA-N 415.519 1.603 30 10 HDEE CCN1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1502356024 GWGGDZLJLQDFSJ-FQEVSTJZSA-N 415.521 1.148 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cl)nc1 1504884573 OEJQFJUDXRJOPO-UHFFFAOYSA-N 405.890 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507539693 XNLZFBKAPLBYAI-FPCVCCKLSA-N 413.519 1.207 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCOC1 1507655981 RLCAYNCLFDGRIP-JOCHJYFZSA-N 410.474 1.480 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@H]1C 1507979003 YCXGREXQLKZNCM-MRXNPFEDSA-N 423.521 1.535 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1508422829 FHTMTNQVDQAFBG-RVKKMQEKSA-N 417.535 1.878 30 10 HDEE CC1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1510320047 YOOKZMFLWRUGPY-DOXHGZAWSA-N 413.482 1.134 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C(C)C)N1CCOCC1 1511852965 DVTOSVDMEYNSCV-LJQANCHMSA-N 411.510 1.478 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(=O)(=O)CC 1515098311 BHQVHYUJWAEVFV-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2CCCCCS(C)(=O)=O)cn1 1517368599 YSEZDYLKBMSRBL-UHFFFAOYSA-N 405.528 1.633 30 10 HDEE COCCN(CCC#N)c1nnc(-c2csc(N3CCOCC3)n2)n1C1CC1 1519162827 HQYXBPSDEOGKHI-UHFFFAOYSA-N 403.512 1.940 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1521130098 QJJBVPHZBHWHRH-HOTGVXAUSA-N 410.469 1.630 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1527962000 NGOVVGKDJBMKSF-WBVHZDCISA-N 401.467 1.284 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)C1=O 1531152376 VSRQRVYKVIDINO-ULQDDVLXSA-N 412.490 1.473 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1 1531581203 SYJZTQMMMXUKBE-UHFFFAOYSA-N 415.402 1.665 30 10 HDEE C#CCN(C(=O)CC[C@H]1CCCO1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536623727 CPZGIDJGQOZODQ-YENHRIDLSA-N 400.519 1.822 30 10 HDEE CCOC(=O)N1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1537711419 DWDHYZINOBVHFH-UONOGXRCSA-N 404.854 1.912 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1538934341 XWHQEMUFMRFLEH-KRWDZBQOSA-N 422.503 1.947 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539203211 OGCWHASIXHOJAI-UKRRQHHQSA-N 405.528 1.088 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1539205351 GZWBAMSWRYEBTB-AEFFLSMTSA-N 402.520 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCC2)nc1 1539230581 IGABUYYVCKBFES-UHFFFAOYSA-N 405.506 1.533 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOCC(=C)C)CC1 1539430923 OTQSQSVUOTZGLW-NRFANRHFSA-N 403.527 1.278 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1540039862 IIULCTKZKCWYGN-KRWDZBQOSA-N 415.498 1.373 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1540898282 FSVSNOJIBCBBPC-UHFFFAOYSA-N 422.526 1.900 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540907616 CNPIDVKIPYFTAK-DOTOQJQBSA-N 420.539 1.458 30 10 HDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1543265548 WTPJWRMIKGURDJ-GOSISDBHSA-N 402.524 1.467 30 10 HDEE C#CCN(CC(=O)N[C@H](CO)c1nc(-c2ccccc2)no1)C(=O)OC(C)(C)C 1556547417 FTTKOGIZHQZPNR-OAHLLOKOSA-N 400.435 1.757 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)[C@@H]1CCCOC1 1557020984 VNEBXFJJVXCUCK-NVXWUHKLSA-N 423.535 1.189 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)c1 1557720772 DGACMSGWOXWHST-MJGOQNOKSA-N 405.376 1.992 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)C#Cc2ccc3c(c2)OCO3)C1 1558633178 UVEWFQMDPAMOHZ-NRFANRHFSA-N 402.447 1.645 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccnn2C)c1 1570742453 YDTDAAGXJQTFAH-FQEVSTJZSA-N 423.498 1.728 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1587706954 VARDBMXETJSOSO-JKSUJKDBSA-N 419.555 1.419 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnccn2)CC1 1587879179 OVKVGAUGCXMJMZ-UHFFFAOYSA-N 405.510 1.670 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1587927226 YWAMYQCWXZXCMB-HXUWFJFHSA-N 402.451 1.192 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1588646927 PPIMABMCXFIZII-KRWDZBQOSA-N 424.567 1.473 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1588791555 ZDTFCXGMGLRTHZ-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)CC1 1588811684 MILVZBHVYYYIAW-QZTJIDSGSA-N 419.595 1.762 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCn2c(O)nc3ccccc32)CC1 1588877122 VZNQWERBNDGSOS-UHFFFAOYSA-N 409.494 1.325 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1595885023 YUATWWNWBNBOCM-OAHLLOKOSA-N 424.596 1.778 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCn4nccc43)CC2)cc1 1596162955 GQDMUFQKVPLXPK-SFHVURJKSA-N 413.503 1.807 30 10 HDEE C#CCCOc1ccc(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 1597490789 CLOMGSVKMZFSLC-UHFFFAOYSA-N 407.470 1.593 30 10 HDEE C[C@@H](CC#N)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1602877065 RFGOOMQRTDLNQP-ZDUSSCGKSA-N 410.496 1.978 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1611308676 RVNBJHPFVTVBHY-DOTOQJQBSA-N 407.482 1.934 30 10 HDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCNC(=O)C(C)C)n[nH]1 1612419393 HNBCDAPTEWKSNH-UHFFFAOYSA-N 421.509 1.694 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@H]1c1cccnc1 1617079104 LVHXTCCHNHTLCS-MOPGFXCFSA-N 417.429 1.130 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cc1 1619160911 BICUYSAIRBWYRH-CQSZACIVSA-N 408.466 1.845 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCN(c2ccc(C#N)cc2)CC1 1620507285 GLYMSHHCGDSVTJ-UHFFFAOYSA-N 401.536 1.738 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C(=O)OC)cc2)CC1 1622067559 RSWATSZBCABSLB-UHFFFAOYSA-N 406.504 1.287 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1623669993 ZPZWNWOZVOSQKK-QGZVFWFLSA-N 423.477 1.817 30 10 HDEE COC[C@@]1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1624339577 VDKVYWOPAYENCB-DSIKNWQXSA-N 407.511 1.631 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)NC[C@]34COCCN3C(=O)COC4)c2)cc1 1624462689 YBSQFMHEYPMYAN-HSZRJFAPSA-N 421.453 1.495 30 10 HDEE Cn1cc([C@H]2C[S@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1625082044 WQFJCGYOHOJSQM-PUAOIOHZSA-N 421.320 1.929 30 10 HDEE CN(CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1cccnc1 1626962670 LOSUTGFQJVATNX-GOSISDBHSA-N 400.460 1.174 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](N2CCNC2=O)C1 1627363052 AABXOWGEIYNAMA-LBPRGKRZSA-N 407.268 1.716 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nc2ccc(Br)cn2c1F 1628385770 DEDABRWBCORGOW-NTCAYCPXSA-N 422.214 1.492 30 10 HDEE C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)nc1Cl 1628552783 ZNXQKMRJAFKOAF-SSDOTTSWSA-N 401.732 1.765 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nncnn3)cc2)cc1 1631900544 CMSVYWKHZVGHTM-UHFFFAOYSA-N 410.459 1.328 30 10 HDEE CN1CCC(C#N)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1632610940 LHRKWJDZIVNMBE-UHFFFAOYSA-N 402.296 1.861 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CN(C)CCO1 1635760246 FAHOKXBIABQMPC-YFUGFCHXSA-N 406.527 1.609 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1 1635833381 XRNVLBHWDXDAOM-KRWDZBQOSA-N 405.447 1.792 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](C3CC3)[C@@H](CO)C3CC3)C2=O)cc1 1636116750 COCRFRNIRUZFGE-NLWGTHIKSA-N 410.474 1.677 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)cc(Br)c2F)CC1 1636479696 DADMRQFKBSCBDQ-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE C#CC[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OC 1638827135 RMFXPZBUWLFMOE-SFHVURJKSA-N 406.504 1.305 30 10 HDEE C#CC[C@@H](NC(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1)C(=O)OC 1638832697 SPAWGQVELCWRDA-CQSZACIVSA-N 400.435 1.654 30 10 HDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c(C)c1 1639130538 SWGAYEBTBXEXRS-LJQANCHMSA-N 400.523 1.490 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCn2c(nnc2-c2cn(C)cn2)C1 1644194978 URHIWJSMCPZGHX-MRXNPFEDSA-N 404.478 1.830 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@@H](C#N)C3)cc2)C[C@@H](C)O1 1644439588 GLOFDXAHNYLEBA-BBWFWOEESA-N 420.535 1.659 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1 1644638097 IEHNFDNIQLYSKT-ICSRJNTNSA-N 405.564 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCN(c3ccc(C#N)cn3)CC2)C1 1653202215 BIJHGHMTBBZJSC-OAQYLSRUSA-N 401.511 1.837 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccnc1C#N 1656936503 OLMGXSCUCQSQPG-UHFFFAOYSA-N 404.492 1.977 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC(S(N)(=O)=O)C2)n(-c2ccc(F)cc2)c1C 1658956609 AZAJOKTVSAEEML-UHFFFAOYSA-N 405.455 1.016 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)CC1 1660694291 OSSFEEMJDPQRPU-MISYRCLQSA-N 418.582 1.778 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2c(C(F)(F)F)cnn2C)c1 1663343469 PGERJNDNWANFMF-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 1667075820 ILCDFKAXZYZGQL-UHFFFAOYSA-N 403.435 1.398 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1672020160 OCXPNNDWMKBSRN-FUHWJXTLSA-N 405.524 1.108 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1680781645 KGAKXEMHTWOSIA-RQJHMYQMSA-N 401.254 1.397 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@H](n4cc(CO)nn4)C3)C2=O)cc1 1681300278 FGVJURRCZRDBSB-OALUTQOASA-N 423.477 1.184 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@H](CNS(=O)(=O)C3CC3)C1)C2 1684754058 WPIGVVYIPMCORA-CRAIPNDOSA-N 402.520 1.529 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1685217950 IFIFUZRULDZGAA-UHFFFAOYSA-N 407.540 1.055 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC(=O)NC1CCCC1 1686239777 VFLHEGDPOGNFMT-QQXKLLMISA-N 403.523 1.665 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1689848620 YPBHHMRPRJEPPD-DLBZAZTESA-N 419.533 1.992 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689987874 DSKKEENLQNOLTM-HLLBOEOZSA-N 403.508 1.325 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1689991138 WUCJBAXOJVOCPF-INIZCTEOSA-N 407.540 1.089 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1690019847 SPZIPSRRVOZSMD-IBGZPJMESA-N 412.515 1.470 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCn1cc(CO)nn1 1690202759 DICXIDXUUYBCEJ-OAQYLSRUSA-N 406.494 1.815 30 10 HDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1690288031 DURYUZNEIVGDQA-MRXNPFEDSA-N 407.496 1.352 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690508162 CFLPBLGSVSCYNU-KTGAGVNESA-N 424.567 1.370 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690677829 BNQDVTWOVXLSHN-YRNRMSPPSA-N 423.583 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)CC1 1690724950 ZGIHMRHPUNCYPA-HNNXBMFYSA-N 416.569 1.017 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@H](C)C1 1690729160 HRYVHWPTZQTAPW-IAGOWNOFSA-N 422.555 1.354 30 10 HDEE CC(C)[C@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1691940794 VLLFTXOGKREJGN-IGGDJGDASA-N 422.493 1.886 30 10 HDEE CC(C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1692404437 QFMSRCTUVSTDFJ-MRXNPFEDSA-N 422.511 1.216 30 10 HDEE CCOCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1696396169 JFAYYYAMWQKCHB-HNNXBMFYSA-N 412.560 1.835 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CC(=O)NCCc2ccccc2)C1 1698483435 BZAOMPGNRDRLLH-OAQYLSRUSA-N 420.452 1.536 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@@H](C)O2 1703027632 XKRDBJPAWCGUQX-KKEPMVJESA-N 400.519 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1705490302 HQDZECYBSCCCRT-GFCCVEGCSA-N 407.434 1.006 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1705494833 GOPHAWGKDITNHF-YOEHRIQHSA-N 412.519 1.757 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1705501059 WAPFLFSBAVFVQU-ZDUSSCGKSA-N 421.548 1.305 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1705523475 YTIBRYAKSUGOMA-QGZVFWFLSA-N 400.527 1.572 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1705561397 PWLGWXXBYDNJMC-APWZRJJASA-N 408.524 1.280 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1705582722 IIOWGPYKHBCSGV-GOSISDBHSA-N 403.552 1.129 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1705635147 SAFBBOWZFVAATI-JQVVWYNYSA-N 419.570 1.747 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(CCC)CC1 1705658875 DHHNXWPRDSLSPJ-QGZVFWFLSA-N 404.584 1.906 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccs2)CC1 1705659924 JJDTWTXABABOTR-HNNXBMFYSA-N 416.576 1.984 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)C(C)C)CC1 1705763577 YKDZGAUDSQMJGY-OAHLLOKOSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)[C@@H](C)C1 1705901473 MOGDXBMOOBCDKS-KBPBESRZSA-N 407.478 1.988 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccccc2CC1 1705907789 XPAAFQCFLDAFHL-UHFFFAOYSA-N 408.506 1.308 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H](C)C2)C1 1705914559 OUYHDZUELHRWDF-MSOLQXFVSA-N 404.559 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(C)cn2)C1 1705915584 FFIMYPOAMZCLJU-WIYYLYMNSA-N 416.526 1.917 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)CC)C1 1705919969 NOVROCJLWBFLLX-HNNXBMFYSA-N 409.512 1.567 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1706505619 HVCXGYHPUGPYQH-QHCPKHFHSA-N 423.565 1.661 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1706672478 OZJSOZALUNUXIJ-PWIZWCRZSA-N 423.489 1.566 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1707022601 FSTWWAIIBAAOLZ-UHFFFAOYSA-N 424.534 1.793 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1711073995 PGGFJFKNWLHPQP-LJQANCHMSA-N 424.505 1.714 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1711159498 MLPYBVRRTSXOFO-IJYGLTAASA-N 416.526 1.866 30 10 HDEE CN1CC[C@](O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1711273802 HQAYWONCFYYXQS-JOCHJYFZSA-N 423.521 1.089 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN2CCOCC2(C)C)CC1 1722435049 DZFIGOJXTWGIKG-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)NC)c1)C1CC1 1722649452 QNPYELLUEHPIRJ-SFHVURJKSA-N 408.506 1.986 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C2CC2)CC1 1722680033 UJMNMEWAUULOES-SFHVURJKSA-N 402.543 1.742 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCO[C@H](C)C1 1726404919 YDKSCXYCVJLFRG-GOSISDBHSA-N 424.553 1.681 30 10 HDEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1728129972 UWVHTCWWDLUPGU-FUHWJXTLSA-N 422.599 1.898 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CCC2)CCOC1 1728778055 DQQCTALDFZLUEA-ACSYHNTCSA-N 421.567 1.971 30 10 HDEE Cn1cnnc1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1729591293 AWTIBNPCVRHMHS-UHFFFAOYSA-N 406.454 1.232 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1730917859 XXGGGLVHRDHGID-HNNXBMFYSA-N 409.450 1.737 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740559200 YQNWVKZAZLDJHX-CABCVRRESA-N 404.515 1.772 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740579320 MSNBKHYHQIIINN-ROUUACIJSA-N 402.543 1.377 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740579321 MSNBKHYHQIIINN-ZWKOTPCHSA-N 402.543 1.377 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740586081 OEJSNTZBEJUELF-KRWDZBQOSA-N 419.551 1.727 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1740663352 HKZGNPLZJVNJCR-HXUWFJFHSA-N 401.467 1.413 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1740718340 MRHWFNNAAFILKM-KRWDZBQOSA-N 405.568 1.449 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)C1 1740985334 FQVSRTAOSWPJLV-IAGOWNOFSA-N 405.499 1.160 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1741132881 KWLTXYTTWUJEJP-AWEZNQCLSA-N 410.457 1.815 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1744749624 ANDIPMGOILSIIE-IAGOWNOFSA-N 421.505 1.446 30 10 HDEE CCNC(=O)c1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1746498365 GUBLYHQJECICBW-OALUTQOASA-N 424.505 1.699 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1748671527 KBSREPGHEJAKIN-HZPDHXFCSA-N 421.567 1.429 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748707648 IPSIJQMIAFXQJM-INIZCTEOSA-N 402.524 1.614 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1748814842 KBBGEYPGZKHZNY-GJZGRUSLSA-N 423.514 1.138 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCC[C@H](C)C1 1748947924 AGKJZYCFNWQIJJ-RBUKOAKNSA-N 416.570 1.721 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)C2CC2)CC1 1749016341 BCDZQQKOOGPMKF-HSZRJFAPSA-N 422.533 1.391 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749020454 SYNGKAGVKUZDPT-OXQOHEQNSA-N 419.551 1.265 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(N)=O)CC1 1749119712 VXENPVBMNDTTIJ-SZMVWBNQSA-N 421.542 1.685 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1nccs1 1749731313 BEFRSWUWVMFSIW-AWEZNQCLSA-N 411.553 1.866 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCOC2)C1 1750380756 YJRWSRNXCHFQQW-ROUUACIJSA-N 402.386 1.447 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1751495605 FDXRFNLDCBKYHV-UFOSLELVSA-N 412.450 1.598 30 10 HDEE C#CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1760159755 OTHRHCHAIWLSJC-IBGZPJMESA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1760162592 BHPKRUXBTYWPOU-SECBINFHSA-N 422.458 1.481 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCSCC1 1760251034 QNHINAPNOLJORS-UHFFFAOYSA-N 417.583 1.275 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(CCC)CC2)CC1 1760260047 KPFIORDKELFUQD-UHFFFAOYSA-N 410.570 1.556 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC(C)C)CC1 1760270008 RPRNJWXJSVHZBV-GOSISDBHSA-N 403.527 1.563 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1760368820 AFUYWPYOTYLXBL-UHFFFAOYSA-N 400.870 1.864 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1760382652 VQLXOFMCYNFCFH-KXBFYZLASA-N 411.572 1.986 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1760500971 CZDFCNKRPPMBMH-RCCFBDPRSA-N 415.494 1.597 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC(F)(F)CO1 1767863364 GYPSRXFBCRVJFO-AWEZNQCLSA-N 420.420 1.774 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1768286585 XYHAMOCULOAWJC-KRWDZBQOSA-N 407.475 1.111 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C#N)CC1 1769380842 CAPKVKFYXGRRJU-HZPDHXFCSA-N 424.571 1.486 30 10 HDEE COC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1769461235 HOUWGHUPBIXBEX-LJQANCHMSA-N 421.477 1.337 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@H]1CCOC[C@H]1OC 1769843303 FRKLBMPQFYKCQF-ZWKOTPCHSA-N 400.483 1.758 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCOC1 1771219214 JRPFOLXIRPTYPB-ZHALLVOQSA-N 418.542 1.605 30 10 HDEE CN(C(=O)C1CN(c2nc3c(F)cccc3s2)C1)C1CN(c2nccnc2C#N)C1 1849272685 RIRBWWRJHOJCBT-UHFFFAOYSA-N 423.477 1.880 30 10 HDEE N#CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 1850007035 RGMBGHBVPXVYCJ-UHFFFAOYSA-N 420.413 1.636 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)cn1 1850084624 VEYYZTIKBVPGGA-KRWDZBQOSA-N 406.895 1.395 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)CC1 1850576868 XRWKQFRRMDJKHO-UHFFFAOYSA-N 414.469 1.916 30 10 HDEE Cc1nn2c(C)c(C(=O)NCCN3CCN(c4ccccc4F)CC3)cnc2c1C#N 1851379703 MUOPCWHTQILRFO-UHFFFAOYSA-N 421.480 1.909 30 10 HDEE N#Cc1cn(CCN2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)c(=O)nc1O 1852191601 QSPYRQNKAYLBJY-UHFFFAOYSA-N 409.368 1.778 30 10 HDEE COCC(=NOCc1cccc(F)c1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853467350 UCSMRCZYIBLVOJ-UHFFFAOYSA-N 407.423 1.775 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN(C)C)c2ccc3c(c2)OCCO3)CC1 1853475427 DIWQGTJHICQSHU-UHFFFAOYSA-N 409.508 1.726 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cnoc3C)C3(CCCC3)C2=O)CC1=O 1854094214 YUDQSIDLZXNWBM-INIZCTEOSA-N 400.479 1.501 30 10 HDEE COc1cccc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1854291591 OCBMUOHFNZQINO-LJQANCHMSA-N 406.442 1.856 30 10 HDEE C=CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)[C@@H]1C 1854332407 ZQNBVYMYZCSVGZ-INIZCTEOSA-N 407.536 1.966 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)C2CC(F)(F)C2)C1=O 1854338001 IWHDBDDENWNNSU-OAHLLOKOSA-N 404.421 1.032 30 10 HDEE CCc1nccn1CCC(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1855170985 UAPHOHHSXRRPNW-MRXNPFEDSA-N 407.474 1.649 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ncn3c2CCCC3)CCN1CCOc1ccc(C#N)cc1 1855880235 VKWICCKXVUWJAM-INIZCTEOSA-N 407.474 1.843 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(C)nn1C 1856102267 QBXUUZXCRJGGAQ-UHFFFAOYSA-N 402.476 1.655 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1856109546 IVFLAJICYPNFPK-AWEZNQCLSA-N 423.395 1.179 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@@H](N(C)CCC#N)C2=O)cc1 1856541996 CCBDRMTUKXUNLI-QGZVFWFLSA-N 407.492 1.222 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C1=O 1856741758 VOJNLWLZDHGCAR-CVEARBPZSA-N 422.526 1.090 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(CC(=O)C4CC4)CC3)CCC2=O)c1 1856969149 YCMOETFDVFATCM-SFHVURJKSA-N 408.502 1.534 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnoc2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857074429 JDPFEGVSXLCATH-DOTOQJQBSA-N 402.495 1.896 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCn2ccnc2CC)C1)[C@@H]1CCN(C)C1=O 1857080437 NCKCHURBRRTMFH-QZTJIDSGSA-N 415.538 1.320 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc(OC(C)C)n2)C1)[C@@H]1CCN(C)C1=O 1857270433 LYBHWAAAGBBOFH-SJLPKXTDSA-N 414.506 1.576 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H]3C[C@H](O)CN3)sc2c1 1866041792 FEQPGEPTOISCTB-SWLSCSKDSA-N 422.532 1.320 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874279891 HIDMGIQINIVQRN-RNDVCUHJSA-N 419.507 1.770 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc([N+](=O)[O-])cc1 1874432572 MNGVKFQIDSRJPM-AWQFTUOYSA-N 419.467 1.323 30 10 HDEE CCN(CC)CC#CCNC(=O)Cn1nc(-c2ccc(OC)c(OC)c2)ccc1=O 1890904439 TVVJXCRBBDRKEN-UHFFFAOYSA-N 412.490 1.389 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)CC(F)(F)C1 1965777073 HHIKXWXUYSLLCH-UHFFFAOYSA-N 402.423 1.830 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H]2CC[C@H]2NC(=O)OCc2ccccc2)CCOCC1 2054403568 ASDKTGOVUXTFNR-IAGOWNOFSA-N 407.492 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(CNS(=O)(=O)c2ccc(C#N)s2)C1 2119215687 NMVPMYBUCKIAMN-UHFFFAOYSA-N 401.510 1.518 30 10 HDEE COCCNS(=O)(=O)N(C)Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157039792 SUZMQPGXAUXGQF-UHFFFAOYSA-N 404.363 1.268 30 10 HDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC[C@H](C#N)C1 2174784966 TXSKGNVXLCGJCW-CABCVRRESA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CC#N)CCC(F)(F)F 2181053629 NPAQMANJWCHMDO-NSHDSACASA-N 415.434 1.619 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N(CC#N)CCC(F)(F)F)C1CS(=O)(=O)C1 2197503322 GUKWLSXCMIWNEX-NSHDSACASA-N 413.418 1.229 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)C(C)(C)C 2197741034 XCLAYWFTBGUGFL-ZIAGYGMSSA-N 400.541 1.963 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2236960160 QKHCKBJPTDNANA-FMTVUPSXSA-N 402.513 1.680 30 10 HDEE CO[C@@H]1CC[C@H]1CS(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2239419741 BDRGNDBQNITTBE-WCQYABFASA-N 402.347 1.287 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243399103 WQPZTNZJQKCMCM-OLZOCXBDSA-N 404.276 1.171 30 10 HDEE Cc1nc(S(=O)(=O)N(C)OCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1C 2243416092 CDMAFIQVOAJINZ-UHFFFAOYSA-N 421.328 1.780 30 10 HDEE C[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243418672 ITNVWECETLSMGG-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243429993 KZKDBYBEUZFJFO-CABCVRRESA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]1(C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243665759 VHCIJMMZMGROAA-GOSISDBHSA-N 424.332 1.597 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)CC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243714659 NBEJAIPWRNWJOS-LSDHHAIUSA-N 408.304 1.498 30 10 HDEE C[C@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267375899 NVGFKXMNWLHDNS-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CNCC[C@@H]3CO)sc2Cl)OC1(C)C 2281969217 KCAJVQFWCSASCH-ZYHUDNBSSA-N 400.737 1.401 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2282180903 YSEIRXFQEVBQCD-GDBMZVCRSA-N 402.300 1.994 30 10 HDEE CC1(C)[C@H](O)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353912 KDNWADJTGVQZOH-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282500398 XRPVZPGPPONDEN-SNVBAGLBSA-N 402.709 1.052 30 10 HDEE CN(C)CCN(CCO)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282640173 KBPYOBUBVHSXKT-UHFFFAOYSA-N 402.753 1.697 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CN 2282839979 BXMXMOYGQUVBGX-MNOVXSKESA-N 420.793 1.916 30 10 HDEE CCN([C@H]1CCC[C@@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872316 UZONITYGCJANLA-KBPBESRZSA-N 401.359 1.971 30 10 HDEE C[C@@H]1CNC[C@H]1CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882199 IGHVNNFGZKCDHV-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3C[C@H]3C(=O)O)ccc2Cl)OC1(C)C 2284393483 LLCXPDIKFSJWKQ-ZWNOBZJWSA-N 401.677 1.391 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CC[C@H]2C(=O)O)OC1(C)C 2284410260 AUMJJIWYKBPKDW-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE CS[C@@H](C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413559 LTZVZJDBFMKEOM-JOYOIKCWSA-N 421.371 1.530 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2301725346 NGWHDGURWPZUGG-CYBMUJFWSA-N 424.303 1.848 30 10 HDEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1C(F)(F)F 2331129396 VRKVCMIYNRBMGI-UHFFFAOYSA-N 419.385 1.782 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362567887 PBDHSAIYPZHAMN-WDEREUQCSA-N 400.331 1.090 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363530619 XCVXVOXHNPUUCN-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790808 VZUJBSZNBVBQSM-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2367802325 ACNSZMXKCGTPEH-RKVPGOIHSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2368319227 PIVQVBXUTGXGDK-ZHCJQAHYSA-N 400.541 1.188 30 10 HDEE CCS(=O)(=O)[C@@H]1CSCCN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368849413 NETNPWFVVIACTN-CQSZACIVSA-N 418.415 1.752 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2373484354 MGOZEYDRFDJWHF-HBUWYVDXSA-N 402.513 1.562 30 10 HDEE CCOC(=O)C1CCN(C(=O)CON=C(N)c2ccc(Br)cc2)CC1 16441 VLHSNBGFYWVYMU-UHFFFAOYSA-N 412.284 1.888 30 10 HDEE N#CC1=c2oc(=O)/c(=C\c3ccccc3F)n2-c2oc(N)nc2[C@@H]1c1ccccc1F 20494550 HIBZOYPQPKNEGC-JDZKTDJGSA-N 418.359 1.927 30 10 HDEE N#Cc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20915766 JGMBGTGZKDVNOK-UFFVCSGVSA-N 408.447 1.746 30 10 HDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C)C2 71555338 RAHOUZXVRBNBBH-LLVKDONJSA-N 400.522 1.841 30 10 HDEE C#CCOc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)cc1 109731387 OIAAQPLQOFOOPH-UHFFFAOYSA-N 415.515 1.794 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)C1 219963041 YZQWJYIVYVNPEU-MRXNPFEDSA-N 410.409 1.409 30 10 HDEE CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254340860 MNDLUCWEZFUGBC-PMPSAXMXSA-N 409.533 1.533 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410418314 AQHBXJJXSIECOH-UHFFFAOYSA-N 402.398 1.977 30 10 HDEE N#Cc1ccc(OCCNC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 434532353 XLNWFYNLPREOKG-UHFFFAOYSA-N 415.475 1.938 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)cn1 461299822 WFGGGVCHQYHHFQ-GOSISDBHSA-N 422.470 1.931 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)[C@H](C)C2)nnc1-c1ccco1 463122047 GZBRSFBWPNEZNI-CYBMUJFWSA-N 410.521 1.852 30 10 HDEE CS(=O)(=O)CC[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 469292884 YMYMEIGLUDTRHF-LJQANCHMSA-N 412.515 1.820 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 471704719 FQFROANNAPTODT-UHFFFAOYSA-N 415.519 1.285 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)c1 480706369 IGJOKOHXKYGWDG-PZJWPPBQSA-N 417.506 2.000 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 504162887 JFYBFGNYWQCKNF-SFHVURJKSA-N 412.471 1.392 30 10 HDEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(c4ncccc4C#N)CC3)c(C)c12 506629469 YTWIKPZRQQWLIB-UHFFFAOYSA-N 419.489 1.427 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4C)CC3)C2=O)n(C)n1 506847541 ZJYXQFJONFYZNB-HXUWFJFHSA-N 420.517 1.862 30 10 HDEE CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 512442141 VPHITKRCJADJDU-LBPRGKRZSA-N 413.471 1.554 30 10 HDEE C[C@@H](C#N)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 518421179 OOYLVFUMSPXZQM-FZMZJTMJSA-N 400.298 1.878 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 523838263 XMDLROVPEGWNNL-KNQAVFIVSA-N 419.485 1.830 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCNC(=O)c3c(F)cccc3F)CC2)n1 545508680 BUAGJPXVALCVBC-UHFFFAOYSA-N 414.416 1.493 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 553901878 NJVCDGOIINMDPK-KRWDZBQOSA-N 404.423 1.443 30 10 HDEE Cc1ccccc1CS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 562046476 GEICGFARPSONOW-UHFFFAOYSA-N 419.528 1.703 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 571843297 ZHSUAANQMDGLLU-GJZGRUSLSA-N 417.601 1.765 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1n1cccn1 581748887 VJGJCRHNNVXQBF-KZNAEPCWSA-N 417.491 1.224 30 10 HDEE C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 598930237 JNQDCRPPUHXPQW-PKOBYXMFSA-N 421.501 1.762 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)nc1-c1ccccn1 610815270 IBRDMCKRMRYCQS-ZDUSSCGKSA-N 410.459 1.659 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c(F)c1 610924133 LOSZHQWZTKFXLV-INIZCTEOSA-N 422.416 1.904 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619712975 DXZJAOVCMUJFMD-HOCLYGCPSA-N 400.526 1.229 30 10 HDEE C(#CCN1CCCC[C@@H]1CN1CCOCC1)CN1CCCC[C@@H]1CN1CCOCC1 671241594 WSFNHRNKSYPQKO-DNQXCXABSA-N 418.626 1.363 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)(F)F)cn1 730143755 DNQAQGGGAOMDSU-LBPRGKRZSA-N 420.461 1.465 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)C)cn1 730144014 GRMXYWCKJNVRPG-INIZCTEOSA-N 408.572 1.949 30 10 HDEE C#CCN(CC(=O)N1CCC(OCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 731213734 PYNBPAIGPMKHOA-LJQANCHMSA-N 404.532 1.317 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732664823 VMKQJFRLIPMPDR-GOSISDBHSA-N 418.563 1.851 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 733150589 OHFFFGSDWZUYOC-UHFFFAOYSA-N 417.469 1.643 30 10 HDEE C#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 744180461 MVUOVUDCMNXSHE-LLVKDONJSA-N 402.266 1.649 30 10 HDEE C[C@@H](CN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 766898982 KNHWAZAGPZQGCK-AWEZNQCLSA-N 415.471 1.475 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)ccc1[N+](=O)[O-] 770644055 GIXFYUHIMFVMAG-CQSZACIVSA-N 412.427 1.032 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C=C)c2)c1=O 772277198 NHOAASODRIEZCU-UHFFFAOYSA-N 418.478 1.787 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncc3ccccc23)c1=O 772897417 GUCJZBFHSRHSBM-UHFFFAOYSA-N 404.495 1.650 30 10 HDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cncc3ccccc23)c1=O 772901028 QMAKEBLATPKBJF-UHFFFAOYSA-N 407.495 1.833 30 10 HDEE C=C[C@H](CC)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 776104257 FMDXUXGQXQAHGN-MRXNPFEDSA-N 412.483 1.947 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 779079534 OOSQVBIXNCVKKU-UHFFFAOYSA-N 406.570 1.836 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCCc3cc(OC)ccc32)c1=O 782897921 KXCCRXJWVZGPDJ-IBGZPJMESA-N 412.490 1.519 30 10 HDEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 786803970 KSTIXHOEGWTNJM-JKSUJKDBSA-N 402.813 1.834 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccccc2C(F)(F)F)n1 788814465 FRUZBFVXPNVREZ-UHFFFAOYSA-N 422.407 1.940 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)n1 788814531 ZIVQMWMYOUCLRR-HXUWFJFHSA-N 408.474 1.840 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 790219057 GHDCKMGNOTZBPP-OAHLLOKOSA-N 402.476 1.891 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)OCc2ccc(C#N)c(F)c2)c1 791292622 WRCQFFSFJDWFBI-UHFFFAOYSA-N 421.450 1.633 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)N[C@@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 791718662 YHPHCFISBXJZLX-VBKZILBWSA-N 411.499 1.468 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3ccc(C#N)nc3)CC2)c1 801552861 UMIFYORTUVGOGC-UHFFFAOYSA-N 417.466 1.257 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CSC2(C)C)C1=O 802720404 HAUQZPUDMFYOFX-QWHCGFSZSA-N 406.533 1.747 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 812933714 LEAXGPFURBBPOI-KRWDZBQOSA-N 420.422 1.686 30 10 HDEE COC(=O)c1ccc(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 818795616 HUHYARJOVYXQOJ-HNENSFHCSA-N 401.419 1.057 30 10 HDEE CCc1noc(C[C@]2(O)CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 856676880 LIBGIBHPFNRHAS-IFXJQAMLSA-N 401.492 1.740 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 1116556620 QZSLEPKAYZLALA-INIZCTEOSA-N 406.508 1.373 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnc3n2CCOC3)cc1 1125202780 PJTZGZGJZPNHML-LTGZKZEYSA-N 403.464 1.478 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1132976523 FLYXGFKTLFXFAR-JOCHJYFZSA-N 418.513 1.719 30 10 HDEE C#CCN(C(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)[C@H]1CCS(=O)(=O)C1 1136354854 ATNOLSIRUSGJDA-CFVMTHIKSA-N 412.462 1.546 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2ccccc2NC(C)=O)CC1 1136632747 JTZNQLVXRNXGHU-UHFFFAOYSA-N 406.433 1.021 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCNC3=O)CC2)c1 1137690468 XEZMQLSYGONXOY-UHFFFAOYSA-N 403.504 1.504 30 10 HDEE C#CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)OC(C)(C)C 1138075530 RPKYDACNGAJLRT-HXUWFJFHSA-N 400.435 1.355 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152929463 GKTXMIJWWKAFMZ-VDZJLULYSA-N 410.536 1.235 30 10 HDEE C[C@@H]1c2nncn2CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1154275329 CJLRQLQWVJIGHH-LLVKDONJSA-N 401.268 1.952 30 10 HDEE C=CCCC[C@@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OC 1155475238 NVXVHHNCDPCSAQ-TZMCWYRMSA-N 400.522 1.602 30 10 HDEE C[C@@](O)(CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1Br 1155763017 NPJBZRWVUBBSEM-ZLDMJUSRSA-N 422.279 1.689 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(F)(c3ccccn3)CC2)cc1 1157202425 OIRJVVXULVTAHR-UHFFFAOYSA-N 402.451 1.719 30 10 HDEE N#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1157963063 KOGZUISGTFXYQO-OAHLLOKOSA-N 417.443 1.263 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)CN2CCN(CC)CC2)c1 1162081528 WBDOEURCXQICHO-UHFFFAOYSA-N 405.564 1.630 30 10 HDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 1163096637 IEWWTPBPAMWHOH-KRWDZBQOSA-N 402.472 1.863 30 10 HDEE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)n1ncc(C#N)c1N 1168597647 FJRNSTFMMHFKBO-WKTRQSJXSA-N 405.505 1.689 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1n[nH]c(-c2cccc(C#N)c2)n1 1184469978 CPBMVSYHXQUGSJ-OAHLLOKOSA-N 402.480 1.876 30 10 HDEE C=CCOc1cccc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 1198965181 BFRRULVFVTZVJP-UHFFFAOYSA-N 416.525 1.373 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O 1220993382 AWLJCJJGGQGRSV-UHFFFAOYSA-N 420.510 1.618 30 10 HDEE C[C@H]1[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN1Cc1ccccc1 1251671258 DTICRAXAFJYUGH-KBXCAEBGSA-N 408.462 1.050 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286363516 UIVHCRIMCPDMSK-WMQCIHAUSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1286370027 MAYDICUHGMEGAR-UHFFFAOYSA-N 410.522 1.679 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286389418 JREIAVFRQGRIRR-HNAYVOBHSA-N 404.492 1.283 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCC1 1286404593 UEGHSEPMXBJQBY-UHFFFAOYSA-N 415.505 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCc2nccn2C1 1286467635 ZTLYJMWZUOUNMC-LJQANCHMSA-N 405.506 1.809 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC[C@H](F)C2)CC1 1286469714 JWCCLXGIIHGBDV-IRXDYDNUSA-N 411.485 1.819 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1286512341 JTUAXJHPYHOYPT-OXQOHEQNSA-N 421.567 1.354 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCS(C)(=O)=O)CC1 1286641048 RPMSASLCLKGKPW-UHFFFAOYSA-N 414.495 1.122 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(C)C)C1 1286818494 JMRDXRAXYFRURJ-QGZVFWFLSA-N 407.540 1.746 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1289914183 SOKZKNDDNBVUAG-CYBMUJFWSA-N 415.397 1.645 30 10 HDEE CN1C[C@@](C)(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1=O 1298877008 KOGKPRFRQZSNLQ-QFIPXVFZSA-N 422.537 1.647 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1299270971 XPTRLZHXAOFCHT-LJQANCHMSA-N 423.521 1.460 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)N(C)C 1300473635 ZWCLBEUEQMQBGA-UHFFFAOYSA-N 406.284 1.777 30 10 HDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CC(=O)N1CCOCC1 1300510926 DICXZDWNZNUNDS-UHFFFAOYSA-N 417.513 1.680 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300578807 PLENBABCWQBZJH-HXUWFJFHSA-N 405.502 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1300580331 AYAXBMQZLSOGKX-IEBWSBKVSA-N 420.521 1.095 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300634096 TXEMGYNPKRDSFF-HXUWFJFHSA-N 402.520 1.072 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1300705627 BCPNQSYVMXRGFU-UHFFFAOYSA-N 402.543 1.853 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2COCCO2)CC1 1300706367 KULBNUKJGMMFNQ-OAQYLSRUSA-N 409.534 1.624 30 10 HDEE C=CCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301445439 SAQACHQMMKDXJY-UHFFFAOYSA-N 414.897 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301484713 LFZPVYMPLGQDAG-HZPDHXFCSA-N 408.418 1.233 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1301579897 LASDPXKVRRQLDT-UHFFFAOYSA-N 424.505 1.966 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1301586394 SCPOUESGTOEWEM-INIZCTEOSA-N 424.567 1.921 30 10 HDEE CC(C)CN1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1303172338 DZFOZPIZPASXMO-MSOLQXFVSA-N 410.526 1.832 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cc(F)cc(F)c1 1304024528 ODWOITBUJBVWMM-UHFFFAOYSA-N 421.425 1.783 30 10 HDEE CCc1noc(C)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1306231874 AQVLJEIQZUERML-CABCVRRESA-N 404.471 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cc(C#N)ncn3)CC2)CC1 1307168013 AAWZNZUJWPOHMM-UHFFFAOYSA-N 401.471 1.143 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(=O)OC(C)(C)C 1307908716 LPOQGRVSSZBXNG-UHFFFAOYSA-N 419.497 1.555 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(c3ccc(Br)cc3)CC2)CC1 1307909647 RFZKGUAUNBRFFE-UHFFFAOYSA-N 405.340 1.349 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)c1 1309080359 AUUPUBCMDBNVLC-UHFFFAOYSA-N 404.419 1.819 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)c(OC)c1 1315425680 AEROKKOGPUBDPO-INIZCTEOSA-N 414.466 1.217 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316339616 POYMRCMHGQCSAA-CZUORRHYSA-N 405.480 1.308 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1316532195 NBYSZYVRLQTGRG-DYVFJYSZSA-N 424.889 1.719 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCCS2(=O)=O)cc1 1330269874 GYIFFMIYNUYBRX-ISLYRVAYSA-N 404.448 1.082 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1358890245 MROYPRZFODJBFE-MRXNPFEDSA-N 410.526 1.435 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1358920401 YGRIOALLMGUNGV-MRXNPFEDSA-N 401.536 1.907 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)n1 1358945984 CJYRALNZRXRZTQ-UHFFFAOYSA-N 417.477 1.023 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC(F)(F)CO1 1358992396 KJBKWMCRDFEMFA-CQSZACIVSA-N 417.416 1.893 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CN(C)C1=O 1359025892 BXYQSXFJJSEVFI-LJQANCHMSA-N 402.524 1.198 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCc2cnn(C)n2)CC1 1359040908 JCNPNYAIGWXINN-INIZCTEOSA-N 412.542 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCOC2)CC1 1359046562 WVDKBXPDOVKPRH-IBGZPJMESA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359057408 YUGNOILSQUXLJE-WBVHZDCISA-N 402.524 1.460 30 10 HDEE C=CCCCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1359206777 OUAHSWMYTYYWHG-UHFFFAOYSA-N 418.586 1.913 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359299049 SOCFQEHZZJCYBP-INIZCTEOSA-N 401.515 1.040 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359304895 MWCFGWSFOJTGAA-UHFFFAOYSA-N 418.542 1.346 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1360809511 CEZGKVSJEUUMSY-OALUTQOASA-N 404.478 1.277 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCCOC1 1438112601 LHMUKJNWBWGQIL-FQEVSTJZSA-N 422.503 1.854 30 10 HDEE N#Cc1cn(CCC(=O)NCC2(c3ccc(Cl)cc3)CCOCC2)c(=O)nc1O 1442110189 BBQVFAAERCAXCN-UHFFFAOYSA-N 416.865 1.729 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2(S(=O)(=O)c3ccccc3)CCCCC2)CC1 1445694349 UDZLVQIHOPFGTD-UHFFFAOYSA-N 403.504 1.748 30 10 HDEE CCN1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1456067211 SXPQFFRQYYDSGA-OAHLLOKOSA-N 405.296 1.884 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H]2CCOC2)CC1 1460859057 OCIZAHSCPCXXSY-GBESFXJTSA-N 418.563 1.584 30 10 HDEE N#CCCn1cc(CN2CCC(N3CCCS3(=O)=O)CC2)c(-c2ccncc2)n1 1462335757 GYEHXRMPCMSFLH-UHFFFAOYSA-N 414.535 1.859 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3O)CC2)c1 1465960789 IXZQMSKWZGVRCS-UHFFFAOYSA-N 403.435 1.791 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1466735613 CAVJXLUDVKNMBD-QMHWVQJVSA-N 404.467 1.505 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccnc3)CCO2)cc1 1469468806 OJHXPOXVQPBVGI-SFHVURJKSA-N 415.475 1.015 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1469508408 BWSHVRGYLMZUCV-GOSISDBHSA-N 417.528 1.009 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3nc(-c4ccncc4)n[nH]3)CC2)cc1 1470551392 BHQSCECUGDBZFZ-UHFFFAOYSA-N 402.462 1.766 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCO)c2cc(Cl)cc(Cl)c2)C1=O 1470861129 RBEXJLMDHKNBFC-ZDUSSCGKSA-N 414.245 1.510 30 10 HDEE CN(C)C[C@]1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1471373597 LRHKOMYLNYRFIW-WKQASXCGSA-N 406.527 1.298 30 10 HDEE COC1(OC)CC(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1472421988 RKHGMCJIZXWVOF-MRXNPFEDSA-N 423.535 1.655 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(C)c(I)c2)CC1 1475696949 GRPIMXHUSFZDTL-UHFFFAOYSA-N 418.300 1.976 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479381595 ODQYCJUHKTVJKD-CVEARBPZSA-N 421.494 1.363 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1503810316 FERHTCZPLRWUBV-QVKFZJNVSA-N 410.478 1.337 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1505320330 IQDAJXUNDZZVDR-MOPGFXCFSA-N 402.543 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(C)C)N1CCOCC1 1507540945 GXZKUFQQAGWIBQ-AZUAARDMSA-N 413.570 1.954 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1507593845 VNRDTPIZTODGNH-UHFFFAOYSA-N 413.526 1.198 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507634487 NNPBXEPJVHCJBM-INIZCTEOSA-N 424.958 1.653 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2F)C1 1508111176 WYLZEKIPMFRRAT-ZBFHGGJFSA-N 423.514 1.857 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1508123699 JKLYSQVUINKJIF-INIZCTEOSA-N 405.524 1.578 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1508153214 IPYPTDIAWVAPQU-UHFFFAOYSA-N 404.540 1.498 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1508162982 RTTHEHNHTIBVAT-INIZCTEOSA-N 402.524 1.134 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512177583 CYMSWJAVPPIUEZ-HFUDNHEJSA-N 415.498 1.179 30 10 HDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1514813933 CTEHFVQLXWFQOZ-INIZCTEOSA-N 415.523 1.183 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1519396353 FLWNSMBHVYXMBH-QZTJIDSGSA-N 410.478 1.195 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCCN1CCOCC1 1525348651 GWAMFLPEPHGYFZ-RDTXWAMCSA-N 406.914 1.805 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)s2)CC1 1525886890 NGJDOLUJHRDXSX-UHFFFAOYSA-N 408.505 1.942 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)N1CCOCC1 1539024905 BDZAYOKKSLKTIW-MSOLQXFVSA-N 402.543 1.215 30 10 HDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539094008 IYNPMSABCJJRQR-CRAIPNDOSA-N 415.469 1.922 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OCC 1539148656 MEFHFDBLJKVIOS-OAHLLOKOSA-N 405.524 1.713 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN(C)CC(F)(F)F 1539153647 HJKGZUSHXFQDOO-QGZVFWFLSA-N 403.449 1.884 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1ccsc1 1539408964 JLTHKWWPIZAFCB-LJQANCHMSA-N 400.508 1.734 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1539409028 LWMYWGAYFGNRCD-WIYYLYMNSA-N 414.510 1.493 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1539557582 XLAPUXFZZDPCDP-RDTXWAMCSA-N 416.494 1.844 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1540155110 LOEVQRYXGMHJRQ-JKSUJKDBSA-N 419.555 1.526 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)c3cc(N4CCOCC4)ncn3)CC2)cc1 1540502786 KJELVUAUGNSJMV-UHFFFAOYSA-N 406.490 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1540865951 XNUTVEMVDYKJGJ-UHFFFAOYSA-N 424.505 1.889 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540914548 APLRDCGNQNIKAN-HOCLYGCPSA-N 401.540 1.876 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1541090229 PIXGTONZOUINCE-ZDUSSCGKSA-N 408.466 1.716 30 10 HDEE CC(C)CSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1541593934 CKGIDBUJRRMWLQ-GJZGRUSLSA-N 413.569 1.298 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1541724727 WMGNXYXZLUGDCH-SFTDATJTSA-N 416.526 1.537 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCCC23OCCO3)s1 1546065140 FZXKYRHLBUQSEO-AWEZNQCLSA-N 400.522 1.557 30 10 HDEE COC(=O)c1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1556313886 NMWGRQADYZPURA-UHFFFAOYSA-N 401.444 1.514 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)Cc2ccsc2)c1 1556963282 JWLHNVGTDQZLBV-UHFFFAOYSA-N 405.545 1.864 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 1565590373 YXPYTICRWXPRRU-UHFFFAOYSA-N 422.323 1.663 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)CC(=O)N(C)C 1584136754 CDGGHIONBBURNO-AWEZNQCLSA-N 404.939 1.501 30 10 HDEE CN(C)S(=O)(=O)NCC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 1584709146 KWDBZODSUJVFJN-GOSISDBHSA-N 402.476 1.342 30 10 HDEE C#CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1586216265 CEOJRXNTJJZOLO-KGLIPLIRSA-N 413.293 1.426 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)c1 1588111262 QFZVJDNMUAAMCL-UHFFFAOYSA-N 406.485 1.562 30 10 HDEE CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)C1 1588146264 ZUMNIFWEQAGACH-UONOGXRCSA-N 402.517 1.066 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1588266057 LHKMCOYRGJYFOJ-MRXNPFEDSA-N 410.588 1.470 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588733452 SXJBGBAZWMKSGR-ZWKOTPCHSA-N 402.543 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)CCCS2)CC1 1588751809 NKBIVQAXWHKJFN-LEWJYISDSA-N 419.595 1.971 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](F)COC)CC1 1588763332 UXPLTZGRRVSHNL-KRWDZBQOSA-N 417.485 1.702 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588865369 VTCQMGMNHPIYHR-VQTJNVASSA-N 411.554 1.446 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CCOCC)CC1 1588954998 NUQBFJYTJXTPGB-UHFFFAOYSA-N 416.551 1.636 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1589394354 DDBUXXGLPRUCTH-NSHDSACASA-N 420.333 1.009 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1594807071 CQKZPRSOTMAQMS-NWZZKEMCSA-N 419.526 1.595 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595529847 JRSNKSHSFLABCW-WBVHZDCISA-N 409.494 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1595789033 MSSUDTPXXHJYQY-HNNXBMFYSA-N 411.528 1.471 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnc(S)n3-c3ccc(F)cc3)C2)c(=O)nc1O 1607488631 IWPRRQQLJKQGLG-UHFFFAOYSA-N 412.406 1.131 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1611332215 NDTWHTIFNKPQIL-QRFQSNJMSA-N 424.505 1.855 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](C(=O)C4CC4)C3)CC2=O)cc1Cl 1618752437 IOGWXITVTVEZFQ-RHSMWYFYSA-N 401.850 1.771 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 1619904806 KTNYLCUKVPKBAL-HNNXBMFYSA-N 408.495 1.816 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1622158908 SIRIHASIHWKDOM-CABCVRRESA-N 402.538 1.995 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cnn3cc(Br)cnc23)CC1 1622584578 QLLTZUUOULMNQB-UHFFFAOYSA-N 401.286 1.584 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCc3nn[nH]c32)cc1 1626004285 OLCAJCQYMBMXAN-USIKMKBCSA-N 402.480 1.676 30 10 HDEE Cc1ccc(C(=O)N(C)[C@@H]2CCN3CCO[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 1628293353 XPXXLFKBITZUPS-MOPGFXCFSA-N 400.328 1.839 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1629505020 HFIPOBXSLTZIKC-ZZXKWVIFSA-N 424.494 1.497 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@H](Cc2ccccc2)C1 1631638312 MPDJFCQGNQBNDZ-VQIMIIECSA-N 412.515 1.268 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4c(O)ncnc4C3)C2)C1 1632900361 GJOUIRSYEVAYFY-YZGUTLMUSA-N 413.478 1.854 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](CC(=O)N3CC[C@](C)(C#N)C3)CS(=O)(=O)[C@H]2C1 1633641084 PISKVLKSHCGPLO-MMMWYMCRSA-N 411.524 1.419 30 10 HDEE CN(C)CC#CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1 1635386767 UUZYGLPGDLWXGM-UHFFFAOYSA-N 406.324 1.983 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2CCCCS2(=O)=O)C1=O 1635568066 JDNHPZFDPJPHDJ-KRWDZBQOSA-N 402.517 1.114 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3CCOC[C@@]3(CO)C2)cc1C 1635833539 BPSONXJAQMXSBP-QHCPKHFHSA-N 423.517 1.600 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1635882213 PBEMQHPOPHGRAK-QZTJIDSGSA-N 412.465 1.911 30 10 HDEE C=CC[C@@]1(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1636313827 URUDTQUABVQBTC-VCBZYWHSSA-N 415.556 1.715 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@H](C#N)c1cccc(Br)c1 1636400973 BHDYOLLNRIAPBV-CQSZACIVSA-N 409.265 1.795 30 10 HDEE CN1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)(C)C1 1639136543 ZLKMSWSGPRSXCG-SFHVURJKSA-N 404.536 1.415 30 10 HDEE Nc1nc(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nc(C(F)(F)C(F)(F)F)n1 1639815634 DWIQTSKPYIXUNB-YFKPBYRVSA-N 408.253 1.613 30 10 HDEE COCCN(CC#N)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1642106203 AALMORWHVKMWLW-HNNXBMFYSA-N 406.487 1.852 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 1642903314 HVSIZZVIBXBOOP-SFHVURJKSA-N 414.412 1.276 30 10 HDEE CC(=O)N[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1643496457 HSLLOHAAHDUULQ-SJORKVTESA-N 413.522 1.566 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1643614470 ARVZLQMZPFFKOR-QGZVFWFLSA-N 414.307 1.956 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(CO)CCc3ccccc32)ccc1F 1644330140 ADEKFKJXMKUEIQ-OAQYLSRUSA-N 418.490 1.896 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1650972114 IWACQPAYZHLQJY-NSHDSACASA-N 413.219 1.324 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1663918485 AYZJYLJQYWJVAN-OCCSQVGLSA-N 419.400 1.870 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1668812683 LCHDTHGMCPZKKN-CQSZACIVSA-N 406.426 1.350 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OCC 1669266458 DKKNSJFMRUYEHP-NSHDSACASA-N 402.856 1.847 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1669662415 GCLPXZKJUBVDNU-CYBMUJFWSA-N 416.293 1.957 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 1670502717 VSBJGDDNCBZNIV-SFHVURJKSA-N 412.533 1.178 30 10 HDEE C#CCN(C(=O)N[C@H](C)CN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1675683023 RNFWILVLBFVXGF-QGZVFWFLSA-N 408.543 1.751 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1683190023 KSTNKILZCUPMGT-IRXDYDNUSA-N 411.524 1.270 30 10 HDEE N#C[C@]12CN(C(=O)NCC[C@@H]3CSc4ccccc4O3)C[C@H]1CS(=O)(=O)C2 1683371537 JOTHKUVTOVEFIH-PMUMKWKESA-N 407.517 1.510 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1686315517 QVQOUJLMGARMID-VQIMIIECSA-N 422.551 1.408 30 10 HDEE Cc1cc(Br)c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1687095840 FHVJRBAACUXGKK-IINYFYTJSA-N 418.338 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1689827428 DVPCZLTZXRKBTH-LSDHHAIUSA-N 415.523 1.237 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1689828305 NEVWQQWPVPKUJY-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689877089 PVZWVLXWEGUESS-FXAWDEMLSA-N 424.567 1.821 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1689913640 RWQWSDSNUCPRAP-ZBFHGGJFSA-N 405.528 1.377 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1690054419 WDZMMOLZJZPVHV-QHCPKHFHSA-N 419.485 1.997 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCc2cnn(C)c2)CC1 1690128474 DYCGCTRIFZQLBY-UHFFFAOYSA-N 404.522 1.385 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1690655066 GBZSZQGCSANXFG-IHRRRGAJSA-N 417.432 1.693 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1690660270 CVJAUEMIGFADEY-MRXNPFEDSA-N 404.540 1.460 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](COc2ccccc2)C1 1690673679 AAUOGQSHBHSZEW-IBGZPJMESA-N 411.506 1.817 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1 1690720411 IDKHMCZHFXZHLG-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1695170846 LWROZIIRTUGVRP-KRWDZBQOSA-N 407.478 1.154 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(F)(F)F)cn1 1696854563 NZVJDVAWSKQCBS-HNNXBMFYSA-N 424.431 1.782 30 10 HDEE CNS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CC#N 1697025375 GYLUFLACRFOMEM-OAHLLOKOSA-N 415.523 1.569 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1705494943 INJXUDCBHRUXAV-XHSDSOJGSA-N 400.504 1.814 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705566905 RPHDCRYWLHHVRU-CVEARBPZSA-N 401.492 1.593 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1705579011 MVNKEPFKHRFKDA-UHFFFAOYSA-N 404.518 1.490 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1705612724 NGERLBKFTYRYSV-GOSISDBHSA-N 414.531 1.817 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705738040 IZXUUSQVVKXWKH-GOSISDBHSA-N 418.542 1.298 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1705740720 VEJQQEYFWQRVBY-UXHICEINSA-N 407.515 1.225 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(=O)COC)CC1 1705749803 IMMKLYBHQWHKDB-UHFFFAOYSA-N 420.857 1.901 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705754809 GIPMRKKKDQYRLD-LSDHHAIUSA-N 414.901 1.911 30 10 HDEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1705766992 WKVGYVVESNSAHE-MRXNPFEDSA-N 404.540 1.722 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccs2)C1 1705916732 RBZFLPAIVWVUHV-STQMWFEESA-N 412.541 1.174 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C2CC2)C1 1705928043 AHJFXQMNCZGIEI-GOSISDBHSA-N 413.526 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C)C1 1705931323 MLRLBBVHWFBJFX-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705934098 BDPTXIWPVCDSER-HOTGVXAUSA-N 405.524 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](COC)C1 1705936066 JLRGPBVNGOBBOF-DLBZAZTESA-N 412.556 1.636 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1706058619 HGNMAJXVRKHATR-WOJBJXKFSA-N 424.505 1.727 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1706076828 DEMMWLVENPEWNY-HRAATJIYSA-N 409.494 1.918 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)C1 1710345959 HHYAKZHWBIEWCN-WMLDXEAASA-N 418.523 1.370 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711264041 DRFTZUYSTIKBLA-KSSFIOAISA-N 421.502 1.007 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCc1nnc(C)s1 1712454995 VERCWCLVXMKTQD-HNNXBMFYSA-N 405.528 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1722293720 DUYHCUDKPDWQFL-HOCLYGCPSA-N 407.496 1.019 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1722302394 HVKRZDRSZMDAKA-OAHLLOKOSA-N 401.442 1.313 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722336957 SBYYPMWXHZEITM-AWEZNQCLSA-N 405.462 1.674 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN(C)CC(F)(F)F 1722428031 AWRBWKHBDQSDBB-HNNXBMFYSA-N 403.449 1.752 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722459150 DHUUJHVWJKOPBV-KRWDZBQOSA-N 416.551 1.767 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1722554375 DSLOPOCOGXDIBT-JXQTWKCFSA-N 421.926 1.548 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722682362 CVONEDHOEHUVSI-ZWNOBZJWSA-N 410.272 1.582 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722696220 FQVZVKAQJLICPD-QGZVFWFLSA-N 423.477 1.825 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)C1 1722720212 ILTWNMYQLJQPNP-HOTGVXAUSA-N 416.526 1.097 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](COCC)C1 1722727688 PUPMGNSMZIAHMK-SJORKVTESA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](OC)C1 1722730665 ZEKXVLLEVDEELO-GOSISDBHSA-N 404.536 1.889 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCS(=O)(=O)C1 1723169108 VWLYRZMHZMWSRF-ZDUSSCGKSA-N 416.507 1.371 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1723883037 DDULXEZOYBNVHE-ZIAGYGMSSA-N 407.496 1.554 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CCC4)n3CCCCCO)CC2)c1C#N 1725869039 TYQKUGATDNFZEI-UHFFFAOYSA-N 412.542 1.948 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)OCO2 1730760873 DATPUOFGOZGJBF-UHFFFAOYSA-N 409.450 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1740542528 XARHXKODWILTDQ-KRWDZBQOSA-N 403.494 1.641 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC=C 1740558872 VQZCGMDHEGGDOB-AWEZNQCLSA-N 421.548 1.328 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740575012 NQEMIKDIQVDZFY-SFHVURJKSA-N 421.505 1.540 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)C(=O)NCC2 1740683949 SJKBXUMKEYLOKY-UHFFFAOYSA-N 419.489 1.099 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740883089 IROMLVUPWCAGNF-SFHVURJKSA-N 400.483 1.274 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1740893600 PWYWSAOSBDQNGN-IBGZPJMESA-N 403.508 1.449 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740957471 PASJXTOTFKBEEU-SFHVURJKSA-N 422.493 1.053 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(C)C)C(=O)C1 1740989944 CQEBNYYWERAKKR-UHFFFAOYSA-N 420.539 1.179 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H]1C 1746373154 GTDZIRIITPJECI-HZPDHXFCSA-N 405.510 1.912 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCn1cc([C@@H]2CCOC2)cn1 1748852372 CPDGICGXIKKAAL-HXUWFJFHSA-N 415.501 1.737 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)no1 1748969419 UOTVKEOVUNNUHY-UHFFFAOYSA-N 414.491 1.700 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC(C)(C)C 1749039526 WEBIXYYCMULRRA-OAHLLOKOSA-N 414.597 1.798 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1749042922 BGUDOHDONAKSCU-UHFFFAOYSA-N 415.567 1.565 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1749131029 PNUNFIFJMXBCGL-VQHPVUNQSA-N 407.540 1.757 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749132916 FUFQDHMABSLNRG-IEBWSBKVSA-N 418.542 1.396 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCOCC1 1749143904 OFOMCQWYRMIHFV-HZPDHXFCSA-N 414.576 1.011 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1749304750 FMZMIWOEHWEZRU-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1749409280 SZGDYKTUXDGRKS-UHFFFAOYSA-N 403.531 1.720 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1749458052 VSHQKRXGZYKOCA-SQNIBIBYSA-N 424.567 1.921 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2C)C1 1749698336 TYDGKAGPLBXGRA-WIYYLYMNSA-N 416.526 1.802 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCc1ccco1 1750937512 WVZLGSNQCIQWPX-UHFFFAOYSA-N 413.482 1.456 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1751095884 HSGLRNIMIFDCHO-DOTOQJQBSA-N 402.524 1.827 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1760099581 ITZFBXYHNANKAH-UTKZUKDTSA-N 416.526 1.668 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C(=O)NC 1760157523 RZYDVHARSOHCEW-CQSZACIVSA-N 402.524 1.501 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760160231 BRLNBFJMWDVQER-GOSISDBHSA-N 400.527 1.923 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1760206224 UIHHMIKAUCVOAT-IBGZPJMESA-N 423.521 1.186 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(=O)OC)c1 1760206908 QQJZXNGMDPQSPR-UHFFFAOYSA-N 420.473 1.700 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1760272962 YHZQRYFUIMRGHG-UHFFFAOYSA-N 406.600 1.758 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760354766 MLDJOKDRUDZVMD-INIZCTEOSA-N 422.555 1.394 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760422969 VBVZZRUZHHPAJD-OAGGEKHMSA-N 424.571 1.207 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1760461262 LYRWYMPTSYQXFD-MHZLTWQESA-N 410.569 1.629 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1760520683 WPXCQVYPAWHDOA-MRXNPFEDSA-N 412.494 1.417 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1760520793 ZUGPVZCFWMXRNV-MRXNPFEDSA-N 422.493 1.793 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1760528712 KOJMZFKHRBMNMR-YZVOILCLSA-N 409.556 1.563 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccs2)CCOC1 1761290542 BIQVYICVEQPUTG-RDTXWAMCSA-N 404.496 1.552 30 10 HDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)s1 1764685739 HHGYSPPOGROMOJ-UHFFFAOYSA-N 422.518 1.981 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1766672917 GLKMMOJTOSDTPI-MRXNPFEDSA-N 407.496 1.904 30 10 HDEE Cn1ncc(CCCn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)n1 1769079552 GRXADHFHOIVHMV-LJQANCHMSA-N 406.494 1.553 30 10 HDEE CO[C@@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)C(F)(F)F 1769601544 GBGCISOOPSLOEE-AWEZNQCLSA-N 408.384 1.720 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)cc1 1770043072 GSUPOYSTVCGGHX-GOSISDBHSA-N 408.384 1.777 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1771204508 VDLOGSIHYYPCID-GOEBONIOSA-N 416.482 1.620 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772791356 RRUGVCBTRLBWKC-OAQYLSRUSA-N 423.381 1.217 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 1849559304 MIEZSNSHMFTZCG-KRWDZBQOSA-N 402.520 1.411 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](C#N)C2)C(C)C)c1C 1850807866 AOWWFNTYQIDBRY-ROUUACIJSA-N 407.536 1.974 30 10 HDEE COc1cc(OC)c(NC(=O)CN2CCN(c3nccc(C#N)n3)CC2)cc1Cl 1851306963 FPZYOMCAVPSWHA-UHFFFAOYSA-N 416.869 1.780 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)C2CCN(Cc3c[nH]c4ccccc34)CC2)NC1=O 1851671759 XYHXLDDEBXXGFU-UHFFFAOYSA-N 407.474 1.701 30 10 HDEE C=C[C@H](CC(=O)OC(C)(C)C)OC(=O)[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1852085926 VEZTYYVKTJXYCD-GDBMZVCRSA-N 403.541 1.961 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)CCOCC#Cc2ccc(Cl)cc2F)CC1 1852380442 OLGLYJLDVNJFHG-UHFFFAOYSA-N 416.902 1.731 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(CC4CCOCC4)CC3)CC2=O)CC1=O 1853642089 UKNZJKHDOPLHNA-WOJBJXKFSA-N 417.550 1.535 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1853677128 FBYZGXZMMUNCPX-ZWKOTPCHSA-N 419.547 1.723 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCC(Cn3cnc4ccccc4c3=O)CC2)C1=O 1853720025 JAJIMKZESAWJDF-IBGZPJMESA-N 407.474 1.540 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(Cn4cccn4)CC3)C2=O)CC1=O 1854057563 SHKWLQOWEXHCMQ-MOPGFXCFSA-N 413.522 1.147 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1854357545 PGYCISSFTNAOSG-SJORKVTESA-N 423.922 1.933 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854689160 WOJYGVCUAWTYHX-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCCN(C(=O)Cn3cncn3)C2=O)CC1 1855700590 MUVPMVURRYXLOC-IBGZPJMESA-N 406.490 1.743 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3C(C)(C)CC(=O)CC3(C)C)C2=O)CC1=O 1855866198 NNHRILZELDGXRH-DOTOQJQBSA-N 403.523 1.761 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)cc1 1855907383 YMHITHJINRJWRH-OALUTQOASA-N 408.502 1.959 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](n4cnc5ccccc54)C3)C2=O)ccn1 1856592505 KKUCPTYZNVDYHK-YLJYHZDGSA-N 400.442 1.991 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@@H]1CCN(C)C1=O 1857274820 SVFFBRMBYDHDRQ-RHSMWYFYSA-N 417.531 1.528 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1857387357 KRTNTAQSNGVRKV-VQIMIIECSA-N 412.465 1.932 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2=O)cc1C#N 1857453439 FNADLURVMANCAY-UHFFFAOYSA-N 401.430 1.327 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1866339820 BGMFUFNVQPYJOJ-SECBINFHSA-N 408.208 1.260 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccn(C)c(=O)c3)CC2)CC1 1889258029 SDDXTHKQOCNNJI-UHFFFAOYSA-N 414.550 1.036 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)CC1 1891245690 YMSMYGZFFPEMMR-UHFFFAOYSA-N 413.869 1.545 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 1995958508 WAQDCELYWCLLFK-HOCLYGCPSA-N 422.331 1.896 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010395334 IJKPMTLVXOOURV-STQMWFEESA-N 423.319 1.178 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C)C[C@@H]2C#N)C1 2124737715 WEEZNRUKJQLRLL-WFXMLNOXSA-N 400.479 1.469 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)CC1(C#N)CCOCC1)C(F)(F)F 2174787188 RJJJDAHRTDEVKN-NSHDSACASA-N 415.434 1.682 30 10 HDEE CN([C@H]1CCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1)S(C)(=O)=O 2235499124 DAJIUNQDXXTCNU-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE C[C@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2243686286 KIMBAZILYAJZLC-CQSZACIVSA-N 409.336 1.888 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829682 TWPJENAQPHBJPG-LPHOPBHVSA-N 424.354 1.970 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258180665 DHVXUMQVNANBRW-MRXNPFEDSA-N 403.416 1.680 30 10 HDEE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282015567 YLWZQDWKRDTCDO-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311033 CBIBBRDOIXRBEY-LLVKDONJSA-N 417.745 1.723 30 10 HDEE CCN(C)[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282329169 IZEKTNCLGVUXQO-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CN(CCN1CCCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331481 OETOVKGJDOAVBX-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C 2282338596 SEHZVVSBOMWYRK-CQSZACIVSA-N 402.391 1.912 30 10 HDEE C[C@H]1C[C@H](O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282339997 ZWJDXLDSBPPEDK-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)S(C)(=O)=O 2282396925 HENDDUCANJGZFE-NSHDSACASA-N 401.721 1.802 30 10 HDEE COC[C@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495391 LSULHCQSKTYLPI-RISCZKNCSA-N 401.721 1.952 30 10 HDEE CC[C@@]1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282495628 OUUFPAJUTYTDFB-QGZVFWFLSA-N 400.375 1.609 30 10 HDEE Cc1nc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282522163 GXGRWKUQMIZDEV-SNVBAGLBSA-N 400.331 1.010 30 10 HDEE COC[C@]1(O)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282629344 URRYCPQRDPEUHC-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=[S@](C)(=O)N3CCOCC3)cs2)OC1(C)C 2282632720 OKYGTBAXVFAEIU-SANMLTNESA-N 400.331 1.533 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@H](C)CS(C)(=O)=O)s1 2282663360 OIPQYCCXCKOBIP-LLVKDONJSA-N 401.359 1.861 30 10 HDEE COC[C@H](O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282846579 LSMKVFZDLKCIJA-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCC(Cl)=C(Cl)C1 2282853163 ZBYUKZJSBUFFTM-UHFFFAOYSA-N 422.143 1.803 30 10 HDEE CCC(=O)NCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859839 RGMIKBUTQLSQGZ-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CC[C@H]2O)OC1(C)C 2282878916 MBDRDVPLLIPKIJ-BXUZGUMPSA-N 401.721 1.688 30 10 HDEE C[C@@H](CCN)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284002028 YNAGVDPAJNJZJA-ZDUSSCGKSA-N 402.391 1.842 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C(=O)O 2284393795 PQVHZOUWOUCUKU-GZMMTYOYSA-N 421.733 1.794 30 10 HDEE N#C[C@@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316862117 ZXHVZBGQQGKTME-OAHLLOKOSA-N 405.476 1.397 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367798940 VXGSYSDCTRMDLK-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367804056 PGBOYROYFZGRCZ-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367806472 KUOFDMIQCJYTCQ-KRXQYRFLSA-N 400.541 1.339 30 10 HDEE Cc1cc(O)cc(O)c1C(=O)O[C@@]1(C)C(=O)C=C2C=C(/C=C/C(=O)O)OC=C2C1=O 8682226 ZJIWQCFXEQSFGR-SHTLVRLNSA-N 412.350 1.839 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)CC1 22013938 MCRHNKRDXITALR-UHFFFAOYSA-N 400.552 1.572 30 10 HDEE C=CCn1c(=O)c(N2CCC(NC(=O)NCCCOC)CC2)nc2cccnc21 96333419 AGQRUIGTSKROOK-UHFFFAOYSA-N 400.483 1.282 30 10 HDEE C[C@H](/C(N)=N/O)N1CCN(C(=O)c2ccccc2I)CC1 109459434 JSPBJDQAACJDBH-SNVBAGLBSA-N 402.236 1.184 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 254392461 ZWXWUBFLSCXHKZ-OLZOCXBDSA-N 400.453 1.682 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ncccc1S(C)(=O)=O 426834299 FNLFIFBSSGLWDR-UHFFFAOYSA-N 402.476 1.715 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)cc1 444563978 WLSMMWBWCRTQCP-OXQOHEQNSA-N 424.519 1.628 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2cccc(Br)c2)CC1 460811079 UJRPHANIHNPSPS-AWEZNQCLSA-N 410.312 1.663 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465492924 GVGTXJQMXMFYPM-CRAIPNDOSA-N 407.478 1.235 30 10 HDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCOc1ccc(C#N)cc1 472207433 PDDSPFBKBLOMMY-GOSISDBHSA-N 409.364 1.685 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1ccc(OC)cc1OC 472620072 HCQBCKYGHBZESR-KRWDZBQOSA-N 408.407 1.907 30 10 HDEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)c2)cc1 476654365 BRNNOLPFZIRALC-GOSISDBHSA-N 421.457 1.539 30 10 HDEE COc1ccc(Cn2ccnc2S(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)cc1 490843040 BEGPGSFLUZCTQD-UHFFFAOYSA-N 424.482 1.902 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccccc2Cn2cncn2)CC1 499736428 URBLSRUTPHSBFN-UHFFFAOYSA-N 402.462 1.625 30 10 HDEE Cc1nn2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cnc2c1Cl 500816648 GNBFJABZCHUFJR-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(S(=O)(=O)N3CCCC3)CC2)c1 502484750 HRGJTNXVFOWLOF-UHFFFAOYSA-N 411.549 1.222 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 504038199 SHNIIVIMSVGTBA-UHFFFAOYSA-N 401.488 1.838 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 504704101 STXIXGVNPDPMJE-SNHGZMDHSA-N 405.454 1.735 30 10 HDEE CCCCN(C(=O)CN1CCC(C)(C#N)CC1)c1c(O)nc(=O)n(CC(C)C)c1N 506016791 GEZHRFJDSMKOGY-UHFFFAOYSA-N 418.542 1.946 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 508903389 OQZDFPMSACAFKP-HNNXBMFYSA-N 411.553 1.537 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)N3CCS(=O)CC3)cc2C1=O 511075242 LMGLETGDIMETNV-UHFFFAOYSA-N 403.504 1.041 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cn2cncn2)CC1 511370278 RPPJZNUJUQDTQY-UHFFFAOYSA-N 409.475 1.104 30 10 HDEE C=C(C)[C@@H](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)OCC 533703599 IBJPDXUQQPCJIG-QGZVFWFLSA-N 411.480 1.799 30 10 HDEE C[C@@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 538255896 UFLJDOAOGHDHLU-CYBMUJFWSA-N 418.523 1.309 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c1 541310998 PLTCGHAGPLPBFN-SFHVURJKSA-N 414.487 1.471 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1C 545471339 CZXUAZWWJOYRIC-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCNC(=O)c3ccc(Cl)cc3)CC2)n1 546217976 NTOYYGUNYAYHFT-UHFFFAOYSA-N 412.881 1.868 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 549272708 LAHLMNRTMAABKZ-UHFFFAOYSA-N 409.542 1.927 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 549394840 WUJPOLRESZYPEZ-CJNGLKHVSA-N 423.416 1.782 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc(-c4ccccn4)n3C[C@H]3CCOC3)CC2)n1 559233248 RIHQBNBAVGJVKK-QGZVFWFLSA-N 416.489 1.970 30 10 HDEE CSc1nn(C)c(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c1C(N)=O 569883667 WPXCGUBSEPQDNQ-NSHDSACASA-N 402.455 1.717 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 583766194 XWECYDNMWWSFPS-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)CC1 604188574 CDTCNDQUNAOQLI-GOSISDBHSA-N 403.527 1.354 30 10 HDEE N#CCN1CCC(NC(=O)N2CCN(c3ccc(Br)cn3)CC2)CC1 609336319 GAWVCRIOADQJES-UHFFFAOYSA-N 407.316 1.664 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN[C@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 611266179 PMOKKSYBVKPVOT-PGRDOPGGSA-N 400.523 1.792 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)C(=O)Nc2ccccc2SCCC#N)no1 615412793 FLQMLCONIONKCZ-AWEZNQCLSA-N 401.448 1.922 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCO[C@H](c3noc(C4CC4)n3)C2)C1=O 726590707 QXAUVTWDHSVOBQ-KRWDZBQOSA-N 422.445 1.614 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 733886073 GIAMNHGEHOMPKD-ISLYRVAYSA-N 408.911 1.962 30 10 HDEE CN(Cc1cnccn1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 735480905 OVFIMZOJAYRWEL-UHFFFAOYSA-N 401.492 1.734 30 10 HDEE CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OCC 737304956 DNFJUPMFZAMWIZ-ZCXUNETKSA-N 416.434 1.065 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1NC(=O)OC(C)(C)C 741085916 HLVMSONFXXXXLZ-SZGQWAQFSA-N 421.498 1.458 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 742278883 NEAUJXLDHCBVQO-SNVBAGLBSA-N 412.316 1.813 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 746771846 HFECSDWIUPYIIL-UHFFFAOYSA-N 402.451 1.168 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@H]2CCOC2)C1=O 751655165 BIRBMNKAVKZRFZ-BBRMVZONSA-N 408.499 1.614 30 10 HDEE CC(=O)N(CCc1ccccc1)CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760391774 YTEJQOCHWSAYNA-UHFFFAOYSA-N 405.520 1.998 30 10 HDEE CC(C)n1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cn1 765145777 NPEBPGBMAMKOAY-UHFFFAOYSA-N 423.498 1.596 30 10 HDEE COc1ccc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 766279158 HIRZXVGVQDMHKY-CYBMUJFWSA-N 404.444 1.986 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1ccc2c(c1)OCO2 767681044 PNTUCBBPIORWGM-LBPRGKRZSA-N 416.411 1.380 30 10 HDEE CSCC[C@H](C(=O)OC1CCN(CC#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 770776993 SUEPEVJTTCYQFW-YESZJQIVSA-N 407.536 1.814 30 10 HDEE C[C@H](OC(=O)C#Cc1ccccc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 773446933 DNVAWTZSBAFSGR-CABCVRRESA-N 400.456 1.495 30 10 HDEE C#CCN(C(=O)NCc1cc(CC=C)c(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774188126 SYGWCYAKJXZPPW-QGZVFWFLSA-N 406.504 1.764 30 10 HDEE CN(C(=O)COC(=O)c1c(N)cccc1I)C(C)(C)C#N 780279224 SRJDNZBENIUHJU-UHFFFAOYSA-N 401.204 1.791 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cn(CC(C)C)cn3)cc2C1=O 782697603 LLIKVTHRGFUPOJ-UHFFFAOYSA-N 416.459 1.440 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccc(S(=O)(=O)CC)cc2)n1 788819965 MDZOHRUTBYCWLP-UHFFFAOYSA-N 403.504 1.528 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CC[C@@H](c2ccccc2)O1)c1cc[nH]n1 793327961 NPQCIWBVOWIVFU-WBVHZDCISA-N 400.435 1.730 30 10 HDEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)no1 798245059 ROCCROKRZHCTOJ-HKWRFOASSA-N 406.420 1.526 30 10 HDEE C[C@H](C(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 798973645 PDCAGWVLVBLTAL-CQSZACIVSA-N 406.487 1.633 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)C1 802293316 YYTLPFMKEANISL-TWMKSMIVSA-N 422.526 1.612 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cncc(C#N)c3)C2)ccn1 856545322 YPVCESKZHHTWFE-SFHVURJKSA-N 401.492 1.642 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@H](Oc3ccnc(CN(C)C(C)C)c3)C2)CC1 856599398 IHRWWKKPAMYOIK-JOCHJYFZSA-N 413.566 1.152 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCCCC(=O)C2=O)c1 1125189500 WAVFVPPDODVYOJ-FXBPSFAMSA-N 420.491 1.020 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1128796612 CQQVDLLLVDPMTN-SFHVURJKSA-N 406.533 1.716 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1Br 1131242928 NVCLKXLNVYYBBG-LBPRGKRZSA-N 412.251 1.767 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)nc2O)[C@H]([C@H]2CCCO2)C1 1134203930 YDPWVPWCTWBEMF-BYCMXARLSA-N 405.476 1.954 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)[C@@H](O)c1ccc(C#N)cc1 1141545277 XRMUFTUJESVNDU-KRWDZBQOSA-N 414.462 1.625 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1144612688 GPQYDJGXIDXCKX-HOCLYGCPSA-N 403.914 1.317 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 1152760857 DMFJFLRILVPVNC-GJZGRUSLSA-N 411.499 1.113 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1 1153066652 BKMLIQWSARGDKT-UHFFFAOYSA-N 402.476 1.832 30 10 HDEE COc1ccc2c(c1)C(=O)N(CC(=O)N1CCN([C@H](C#N)c3ccccc3)CC1)C2=O 1166481046 RTFGBHSNSAILPS-HXUWFJFHSA-N 418.453 1.700 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1213430353 QRWHNGROGOBXQL-UHFFFAOYSA-N 404.307 1.975 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1CCN(Cc2ccncc2)CC1 1230732797 HFQBPPXKNPGQGW-UHFFFAOYSA-N 410.526 1.745 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@]3(CO)CCc4ccccc43)C2=O)cc1 1248376519 ZSOHBGGRKCYPLD-URXFXBBRSA-N 418.497 1.835 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)nn1 1252076588 JKCYORPLERDBLC-UHFFFAOYSA-N 401.446 1.069 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC2CCN(CC#N)CC2)C1 1265010710 NMBQNUJVBYTLCY-DENIHFKCSA-N 414.506 1.907 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cc1 1271195627 XVENQHILIFFREU-LJQANCHMSA-N 408.520 1.601 30 10 HDEE N#Cc1nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1Br 1276962024 GDPIJGMSTZTTNF-UHFFFAOYSA-N 420.248 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCn1cc(Br)cn1 1286411447 UYLVSSFYVRTFKC-UHFFFAOYSA-N 424.306 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1286430375 HGIKQIHBDZILBO-ROUUACIJSA-N 416.547 1.460 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1286442625 HKADMZJLTOZNKQ-JOCHJYFZSA-N 419.489 1.130 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286592999 ACPSKOYUZLMAPH-KBPBESRZSA-N 401.471 1.890 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1286634683 ALNJAJCCWWORNG-RDTXWAMCSA-N 424.889 1.952 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286649323 VIYYSJKRSQQTSX-INIZCTEOSA-N 407.540 1.524 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(c2cncc3ncnn23)CC1 1286691712 ONLRJYJYFYTPKZ-UHFFFAOYSA-N 411.514 1.935 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1286748711 ZEUNWXCZJRNKLN-WBVHZDCISA-N 412.469 1.840 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1288195206 RSYDQCMXWBDRCR-MSOLQXFVSA-N 421.505 1.446 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCC[C@@H]1C 1288804085 GMHVDAOALQWRBA-DEYYWGMASA-N 410.544 1.179 30 10 HDEE CCCO[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1294999638 YSCLLQPCXZIYIZ-NXDJFEHLSA-N 402.499 1.898 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298247543 BHESKEYFNIBFAN-SNVBAGLBSA-N 403.386 1.692 30 10 HDEE Cc1ccc(C[C@@H](CO)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1C 1298956792 BJJOPHWDZBYQJO-FQEVSTJZSA-N 400.500 1.810 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)cc1S(=O)(=O)NCC#N 1299734247 AJQKHVHQJSNKBQ-SECBINFHSA-N 417.369 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1300303256 HXICANDKWPQXHG-HUUCEWRRSA-N 400.483 1.184 30 10 HDEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300345312 STTYMGUSNHBJJU-QGZVFWFLSA-N 424.505 1.980 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCO[C@H]1CCOC1 1300455525 LXJDBFJRSWGYCI-INIZCTEOSA-N 422.489 1.457 30 10 HDEE C#CCN(c1nnc(CC)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300499499 STOBILOWUZWAFR-LJQANCHMSA-N 415.563 1.599 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1nccs1)[C@H]1CCS(=O)(=O)C1 1300504852 USWQAVSRBNIBSO-CABCVRRESA-N 423.564 1.702 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC=CCO1 1300569519 NHKUZMKOUOEYAI-FQEVSTJZSA-N 414.473 1.729 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1300602360 COXDRGSFPVKSNN-IBGZPJMESA-N 410.540 1.215 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)C(C)(C)C)CC1 1300692991 PUKKYBUNNJUZRX-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC)C(C)C)CC1 1300726886 SOFPHLIOODMWTF-RBUKOAKNSA-N 417.554 1.809 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1300982998 ALDOIFKTCGVVDZ-UHFFFAOYSA-N 401.515 1.076 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301186906 LKTXTNCELCVOHR-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301196355 ALQOLJJRLUURHW-CQSZACIVSA-N 404.496 1.515 30 10 HDEE C[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CC(c2cccc(Cl)c2F)=NO1 1301213906 VELYSJOASZHLGV-SFHVURJKSA-N 419.800 1.313 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)[C@@H](C)C1 1301489957 IHHMSHPJOPJXSZ-HNNXBMFYSA-N 402.499 1.306 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccccn2)CC1 1301586877 VEEOQOOMBQIQBP-UHFFFAOYSA-N 402.524 1.478 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1301967411 CXDLWXQRGLMVPY-CVEARBPZSA-N 403.508 1.855 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1301967693 FSTJTTWPCDWQAU-GXTWGEPZSA-N 408.915 1.873 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1305934316 AWSQFPUSPIVNGD-GOSISDBHSA-N 406.487 1.499 30 10 HDEE C#CCN(C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 1311010697 YKRIPHGPFMZWQS-INIZCTEOSA-N 413.521 1.127 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 1312641702 KSDMRSHWDJVYQK-GFCCVEGCSA-N 419.334 1.849 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1315120651 FQRVDKPIEFHKJH-UHFFFAOYSA-N 420.477 1.795 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316539808 QMQJFCRQCXIDKY-RDJZCZTQSA-N 423.452 1.485 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 1322380958 OCCRWEFDMGYUIA-NSHDSACASA-N 411.486 1.599 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1327511961 CVXKLRDXQHJCFO-LSDHHAIUSA-N 417.539 1.677 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358991268 UAJDVGCYAAAKDO-GOSISDBHSA-N 406.490 1.298 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1359013267 RFRHWFPUQBXHIT-INIZCTEOSA-N 416.551 1.450 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccnc1C 1359064279 PEVBGFHBVKLEQE-HNAYVOBHSA-N 417.539 1.222 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1359240074 FNLZBYOXDURXRA-KGLIPLIRSA-N 401.558 1.129 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1359260449 FIBBIEDTEUJQAX-AEFFLSMTSA-N 415.469 1.976 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1359301449 YWEOXFOYXFOZOK-JXFKEZNVSA-N 412.425 1.535 30 10 HDEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)O1 1439578044 HLMAPFJUHNZBOK-UHOSZYNNSA-N 418.494 1.493 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)c1 1456554562 UZILECYQXUETPQ-OAHLLOKOSA-N 422.503 1.076 30 10 HDEE CC(C)c1ccc(N2CC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1456614212 RASWICPZWVUMPB-YRISNDGFSA-N 415.515 1.560 30 10 HDEE C[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1456735490 PZTJFEIAWRJFGC-RISCZKNCSA-N 408.524 1.951 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1460231167 UGOSODQBNSUJHZ-XFQAVAEZSA-N 401.463 1.620 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3cc(C)c(N(C)C)cc3C#N)CC2=O)cn1 1460650792 GCJYLXWSDFZERQ-INIZCTEOSA-N 410.478 1.767 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CCc2c(C)nc(O)c(C#N)c2C)O1 1462967514 LVTHYRVLKOVARU-ZYSHUDEJSA-N 403.479 1.630 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c1 1466083783 YYWAFGSDKCMXKE-GHTZIAJQSA-N 417.575 1.582 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCc1c(C)nc(N2CCOCC2)nc1O 1468479989 WHPBEUZVEOVEOG-QGZVFWFLSA-N 402.495 1.786 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(OC)(C(F)(F)F)CC2)c1 1469137648 NLKYLLXQLMDIJR-UHFFFAOYSA-N 404.410 1.782 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1471225609 SWDKEHSIDITLNI-SJORKVTESA-N 409.527 1.866 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1473587315 IRZKCXNLMZWZEB-OKZBNKHCSA-N 419.547 1.768 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1502241942 HXQRMUCOZWWROB-QGZVFWFLSA-N 422.493 1.861 30 10 HDEE Cn1nnc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC(C#N)CC2)n1 1503687221 GVBBDZLTASCRJK-UHFFFAOYSA-N 415.408 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507636645 CBGRJBDMMQPQFF-ROUUACIJSA-N 414.554 1.377 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC[S@](=O)CC 1507645560 FZXVSVNSQKVMMR-MUUNZHRXSA-N 400.504 1.804 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1 1507655982 RLCAYNCLFDGRIP-QFIPXVFZSA-N 410.474 1.480 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCNS(C)(=O)=O 1507672271 ZBZQVOUNEAZGPO-UHFFFAOYSA-N 420.564 1.036 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCC[C@H]2C)CC1 1507736338 IUSIITDROHKNHI-GOSISDBHSA-N 421.549 1.790 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1507843990 ADBIINWFPCPXFN-KRWDZBQOSA-N 424.567 1.922 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1 1507917023 XNULOUMPBKQCKO-AWEZNQCLSA-N 400.570 1.351 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508070738 CCFAVACOWCGRDF-HZPDHXFCSA-N 418.542 1.362 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1508085911 IMIUDNXNGVBFJD-OAHLLOKOSA-N 420.876 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCOC1 1508141182 SXZYJBHARZBQKC-MRXNPFEDSA-N 405.524 1.722 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1516162800 UWCFDTPKFOPWNO-QKLQHJQFSA-N 405.499 1.210 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)C1=O 1526435879 RNAKIIVGLPJLOV-MCIONIFRSA-N 422.482 1.208 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(CC)C1 1539153742 AILZWBQJVHMQBO-MRXNPFEDSA-N 401.536 1.760 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(N2CCOCC2)CC1 1539154799 LCNXOOUEKPPFKV-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1539290740 SHSVPHORXGMKOZ-UHFFFAOYSA-N 415.444 1.928 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(SC)CCOCC2)CC1 1539483332 XKTWMFVCWUPXNX-UHFFFAOYSA-N 405.568 1.719 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1539517008 GYPZDNCLTSKOLV-HZPDHXFCSA-N 412.581 1.409 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1539530658 LKAMBCLEPUTLPU-JXFKEZNVSA-N 421.567 1.352 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 1540068073 XEEWSYCERJDSMD-UHFFFAOYSA-N 421.409 1.995 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2c(C)noc2C)nnc1[C@]1(OCC)CCOC1 1540875775 XTYUFGWTDIMVDD-FQEVSTJZSA-N 418.498 1.474 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1540878311 TXWTVQUGHOQALU-YOEHRIQHSA-N 412.494 1.542 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1541693815 QGMSVKQKJRRIGF-ZWKOTPCHSA-N 412.494 1.317 30 10 HDEE CCOCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548272473 PXPMQUOSJNKDNW-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE COCCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369521 ORDWAYXFCGEDHP-QGZVFWFLSA-N 424.423 1.909 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)c1nccs1 1555752550 AZLQMEYXTQWCKQ-QXSJWSMHSA-N 418.523 1.991 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1555988448 BVVBTXOGPASMDP-UHFFFAOYSA-N 420.477 1.179 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C)c(C(=O)NCC#CCO)c1 1568142670 WLDFXODXUCTALW-UHFFFAOYSA-N 402.472 1.554 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2cccnc2)s1 1569316328 PUSJAMCOCDSXHE-INIZCTEOSA-N 409.489 1.180 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cccnc1)C(C)(C)CO 1570774322 CNHNXHQMIJJPOR-KSSFIOAISA-N 416.503 1.496 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)Cc1csc([C@H]3CCS(=O)(=O)C3)n1)C2 1583061274 NPUQFKLLAOJCII-HOCLYGCPSA-N 401.513 1.743 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O 1583820932 QJFQBXWUFOUTRZ-UHFFFAOYSA-N 423.491 1.434 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCO[C@H]1CC1(F)F 1583927670 YITQOVRMRCLRBW-ZFWWWQNUSA-N 415.462 1.680 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(OC(F)F)c(OC)c1)c1cc[nH]n1 1585149225 XGGOKBOAHBZAHI-UHFFFAOYSA-N 412.349 1.942 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CSCC#N 1585725421 IYEPSOZKPUNBGN-JQWIXIFHSA-N 409.430 1.623 30 10 HDEE COC(=O)CSCCC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1587342125 WCSPCWOPIYMUNB-UHFFFAOYSA-N 415.519 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1587561124 BFSLFCVRNPXIJK-LZLYRXPVSA-N 418.567 1.649 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1587765117 ATIWZKNMOBPDEZ-MRXNPFEDSA-N 407.540 1.042 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(=O)C2CC2)CC1 1587808541 TYUYJTDVQXBVJB-QGZVFWFLSA-N 403.527 1.864 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1csc([C@H](C)OC)n1 1588074223 LEIXGFCCZMDONH-HNNXBMFYSA-N 412.519 1.799 30 10 HDEE CS(=O)(=O)N1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1588074294 WKIJZWMQYVYHLC-UHFFFAOYSA-N 400.298 1.357 30 10 HDEE C#CCN(CC)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588283730 DHJOMRVALNXVKZ-FQEVSTJZSA-N 414.487 1.700 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn2ccc(C)cc2n1 1588639033 YOKAZVROKFXKHP-KRWDZBQOSA-N 407.478 1.320 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2COCCO2)CC1 1588780964 ZCIKGGDCGKOVNQ-INIZCTEOSA-N 402.886 1.164 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1589216787 XKFWSCYZMDGHSY-FXAWDEMLSA-N 405.568 1.658 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589495552 RZEUUNOAVLOFDF-ICSRJNTNSA-N 404.559 1.558 30 10 HDEE C=CCN(C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597170699 NFSSNHLKMMZNPQ-WFASDCNBSA-N 410.496 1.403 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1603333037 NADSHVNQAOROHO-MJWGMMHASA-N 402.499 1.476 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611166185 XMMCZRAQVNJBLK-BBRMVZONSA-N 408.277 1.260 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(C(F)(F)F)nn2C)ccc1F 1611416098 UDLLLJAOYCLPSW-UHFFFAOYSA-N 420.388 1.972 30 10 HDEE Cc1cn2c(n1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)CCC2 1612344954 GNAJDINGUFKOCC-HZPDHXFCSA-N 412.498 1.228 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)[C@@H](C#N)CC 1617776526 QURYWPNFQDVZOU-MRXNPFEDSA-N 422.551 1.786 30 10 HDEE CNS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1618843814 LMGWTOZXPODBEL-SJORKVTESA-N 400.508 1.448 30 10 HDEE COC[C@H](F)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619619901 NJRFJGCAGQRTRX-OAHLLOKOSA-N 402.478 1.380 30 10 HDEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1619834235 FPVKQOUGMRSZMH-OAQYLSRUSA-N 417.558 1.612 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1619910719 SBQNMAGVAMYINT-IBGZPJMESA-N 410.478 1.989 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1625164955 ASOGVIOJTFKQHU-GOSISDBHSA-N 400.456 1.092 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1noc(C(F)(F)F)n1 1627193809 CARAJQKRERVLPZ-VIFPVBQESA-N 417.369 1.771 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1627417938 XWAGQGSDESXTJN-KUHUBIRLSA-N 409.483 1.754 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ccc(F)cc2OCC#N)c1 1630477458 DSJOLGHPRPIJCK-UHFFFAOYSA-N 405.407 1.848 30 10 HDEE N#Cc1cn(CC(=O)NCC2(c3ccc4c(c3)OCO4)CCCCC2)c(=O)nc1O 1631091929 BAJTWLATVFAMJZ-UHFFFAOYSA-N 410.430 1.568 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 1631312168 IKGSVZUESAHYGX-ZDUSSCGKSA-N 412.512 1.353 30 10 HDEE CC(C)[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1632491222 QLOZIVNVTXDPGX-FMPZLKCCSA-N 404.511 1.756 30 10 HDEE COC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1634188266 QPVNYEZMGKMEPQ-UHOSZYNNSA-N 400.479 1.794 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)co1 1634490126 WANLSURQPNFUTQ-UHFFFAOYSA-N 404.448 1.606 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634986287 GTBFOFBLBQWLKH-MJGOQNOKSA-N 401.482 1.898 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(F)n3)CC2)c1 1636088895 ISJRHSXKNPBQEF-UHFFFAOYSA-N 406.414 1.619 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1636838538 CTDARHNMEKTTCO-HUUCEWRRSA-N 416.503 1.091 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1)C1CCOCC1 1637128975 ULQYIVIEMLGKLI-IJEWVQPXSA-N 408.442 1.566 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC1(C#N)CCC1 1638260958 NRFFJPKNVOAEDP-UHFFFAOYSA-N 420.535 1.445 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC[C@@H]3[C@@H](C)Nc4ccnn4[C@@H]3C)CC2)c1C#N 1638689810 LNXCKJBPATUQHQ-DJIMGWMZSA-N 410.526 1.917 30 10 HDEE COC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 1639517075 WFUHYFFJFNMIEK-UHFFFAOYSA-N 421.500 1.670 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)CC2 1639646148 JPLNEMSSQMOPFQ-UHFFFAOYSA-N 400.475 1.926 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 1641568846 IJJCMWMKJZAEMC-GSVIPDFHSA-N 416.522 1.311 30 10 HDEE C#CCN(CC(=O)N1CC[C@H](c2n[nH]cc2C(=O)OCC)C1)C(=O)OC(C)(C)C 1642482642 KWFOHCYIIMBRNV-AWEZNQCLSA-N 404.467 1.773 30 10 HDEE N#CCc1ccsc1C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1643300745 UXUXJWRBKRPXTF-UHFFFAOYSA-N 403.529 1.975 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)C1(C#N)CCSCC1 1643560993 QHIKDCHCRDPZSV-UHFFFAOYSA-N 412.493 1.368 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1644944323 QUDWRTVNHKGWSX-CVEARBPZSA-N 402.499 1.495 30 10 HDEE C[C@@H]1CN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C)CO1 1645218778 CSSZFYIUCBMZDW-CEPSZUJBSA-N 420.554 1.999 30 10 HDEE N#Cc1cn(CCNC(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)c(=O)nc1O 1646147352 GPCWDSBWIWITGM-CQSZACIVSA-N 406.320 1.344 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OC 1648794103 XVPRXJURYALLEB-QGZVFWFLSA-N 410.492 1.070 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 1666807939 CYNKUKTVCZDUQL-SFHVURJKSA-N 400.479 1.548 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1667315149 FJQUVJUBLFUJHA-YQQAZPJKSA-N 409.508 1.644 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 1678551367 KBXGHBDVAPWFEE-AWEZNQCLSA-N 407.492 1.753 30 10 HDEE C=CCOCCCNC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1683929000 XKLGXDPRGFJVCZ-UHFFFAOYSA-N 400.501 1.290 30 10 HDEE C#CCN(C(=O)NCC[C@@H]1CC(=O)N(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1685240637 MAYUWZSAGOHAQU-MRXNPFEDSA-N 406.527 1.899 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1686368363 GVLPWKALSUGRQJ-AZUAARDMSA-N 419.497 1.571 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cnn(C)c2)c1 1689871800 FPIOQBLXMMMVPK-SFHVURJKSA-N 419.489 1.620 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCNC(=O)C(C)C 1689926193 KJLCBBQMNCBZSP-UHFFFAOYSA-N 400.483 1.628 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689936983 KYOQOJLPXUJTRS-IEBWSBKVSA-N 412.490 1.939 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1689988949 ZHTPOILAJADAAH-KRWDZBQOSA-N 420.539 1.122 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CCOC 1690022926 YSPRIOUMPPAVCD-QFIPXVFZSA-N 406.490 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1690137321 UXKSFHQJYAOTSV-NDEPHWFRSA-N 405.568 1.453 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690171015 UQLWRYCBDIBHHP-CVEARBPZSA-N 412.519 1.950 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690311383 JFKCOMXYJSBLMI-NQIIRXRSSA-N 405.543 1.676 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690343810 DUYILJROXLZCKI-UONOGXRCSA-N 403.936 1.300 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1690622810 YXMCGWBNMRHVFR-MRXNPFEDSA-N 408.528 1.084 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1690669003 PVNTZGXVWOTXLW-OAHLLOKOSA-N 421.461 1.314 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1692674677 XTEWKCPVXLEGJV-CJNGLKHVSA-N 409.494 1.432 30 10 HDEE Cc1nnc(N(CCO)CCc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1693467978 KFXOXVCYBGDNAA-FMQUCBEESA-N 410.478 1.154 30 10 HDEE CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1695495092 BLGDIZFFIHJIOU-CABCVRRESA-N 416.457 1.764 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1696518281 UQZCXYYLFIARPO-YMGMXPECSA-N 408.459 1.216 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705564437 OJFORELXKOKIQU-AEFFLSMTSA-N 415.519 1.392 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1705569677 FUNFOTNYTMHJGR-LJQANCHMSA-N 415.563 1.776 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCOc1cccc(OC)c1 1705580279 HIZQYQGHDPBLPU-LJQANCHMSA-N 407.474 1.780 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1([S@](C)=O)CC1 1705586086 UIEWVUXNVWGMKS-NDEPHWFRSA-N 400.479 1.980 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCn1cnnn1 1705620539 WYIBIUWEIKVNHY-KRWDZBQOSA-N 410.457 1.638 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2)CC1 1705647549 IDMLIBPYAFDZAS-GOSISDBHSA-N 424.480 1.382 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705659073 KPYQTOVRGUESIJ-ULMVMLMRSA-N 419.551 1.368 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705746991 CFJBZTUTCBZPSF-BFHYXJOUSA-N 403.936 1.504 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1705824116 GVGITXBYPGEZQE-WMZOPIPTSA-N 418.542 1.962 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)c(F)c1 1705846546 KDMIYQGBZIFXCJ-UHFFFAOYSA-N 414.485 1.900 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCC(=O)N1 1708532872 VJHJJWHXSNAQHQ-ARFHVFGLSA-N 423.525 1.447 30 10 HDEE CC[C@H](Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1708774886 UFCAVMFCNLFDGC-KZNAEPCWSA-N 406.531 1.605 30 10 HDEE COCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1712341288 FWIMOHKTKAHGPU-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccsc1 1722374522 WNNNPQGQKLWNMN-NHCUHLMSSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)c1ccccc1 1722395585 KCPYCKLNUJPVED-UHFFFAOYSA-N 422.514 1.615 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1([S@](C)=O)CCC1 1722425818 NMLPTUBSNBNVAX-NDEPHWFRSA-N 401.536 1.651 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1722464563 JWYKNHJHOUJGLU-HOTGVXAUSA-N 423.539 1.257 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1722474095 LGJPXNWFASYSAW-QGTPRVQTSA-N 410.565 1.040 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1722493518 ZBHBHZHERXWEPH-KKUMJFAQSA-N 413.544 1.095 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)nc1 1722516543 AZOOQGKOZSNRGO-HNNXBMFYSA-N 418.523 1.125 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722543599 KAQPJASFRWKRIX-RYUDHWBXSA-N 404.814 1.792 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722703523 AXXTURYJCZGKAS-KKSFZXQISA-N 421.542 1.625 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C(C)C)C1 1722713610 IFVLWLMXVOPQLX-CVEARBPZSA-N 404.515 1.173 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H]1C 1722737122 UBSPJIGSURKHDY-NCOADZHNSA-N 412.556 1.838 30 10 HDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1723836523 CCAUUYNYMOKFOZ-MJGOQNOKSA-N 424.553 1.715 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1726607634 YKNFVOVINLJSSD-HNNXBMFYSA-N 403.508 1.724 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1729608126 BPAVDRQRZAMJRN-UHFFFAOYSA-N 406.494 1.922 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740589466 ZTGPVCLQAGINKG-MOPGFXCFSA-N 413.570 1.247 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1740713835 RZTVLHRUTBZFIJ-UHFFFAOYSA-N 415.519 1.607 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1740898922 AOSFFUOOMVQAAP-KRWDZBQOSA-N 402.520 1.980 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1740899941 RGAVQKYVDFQYBJ-ZDUSSCGKSA-N 403.574 1.375 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C(C)(C)C1 1740951833 OSTAYEGLEANGKK-ZIAGYGMSSA-N 412.560 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1740992596 RKGVDXCNZZGETK-UHFFFAOYSA-N 411.572 1.382 30 10 HDEE CN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1747636668 AZWJGLIOABDLOK-UONOGXRCSA-N 405.480 1.308 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1748670922 DTRUZUHQQZXNGM-JZXOWHBKSA-N 405.568 1.655 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC(F)(F)F)n1 1748970540 IYMMBHQKRWVTGH-UHFFFAOYSA-N 422.415 1.724 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749139110 BJAHZZPMRLVZNY-CBZIJGRNSA-N 405.499 1.731 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1749143500 KMDCTEBAUVIFDU-IFXJQAMLSA-N 424.571 1.302 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1749520848 AWAVFELELMCHMM-QZQOTICOSA-N 419.489 1.945 30 10 HDEE CSCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1750309139 ZJRJGEDILUFSLV-XJKSGUPXSA-N 418.564 1.864 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1750378242 FOWBDCITHKALFF-KXBFYZLASA-N 419.482 1.698 30 10 HDEE C[C@@H]1C[C@@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCO1 1752013087 CPSVRUAOAPZRGD-IXDOHACOSA-N 402.499 1.448 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC(=O)N(C)Cc1ccccc1 1760202370 BTUPIDDSBHPEAI-HXUWFJFHSA-N 405.502 1.904 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1760224445 KYTMPAJUZWCABR-UHFFFAOYSA-N 409.494 1.834 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760259107 GNIBMHDWUKCNCW-RTBURBONSA-N 400.571 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760327426 GZVPYPAFEDCWPN-NSHGMRRFSA-N 416.526 1.898 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOC1=O)C1CC1 1760470630 YBNHORYBCGDYJM-UHFFFAOYSA-N 411.466 1.923 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760527124 NFNXFGOVUDYBBN-PKOBYXMFSA-N 416.570 1.470 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)C1 1760547007 BJVFGZBKYYTUID-HZPDHXFCSA-N 405.499 1.193 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760549103 WKJDHQCMVNGTOT-CABCVRRESA-N 413.544 1.669 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760678219 VJYUJWLZKXXOCH-ZWKOTPCHSA-N 407.478 1.058 30 10 HDEE CC(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1760682260 QTYMAPBDRBAKTJ-HXUWFJFHSA-N 410.457 1.485 30 10 HDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CC(=O)N1CCOCC1 1762581535 FDDIJSKXBKKLTK-FQEVSTJZSA-N 408.506 1.776 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](COC)OC 1767571306 GCFLUTBDMYZWLA-PBHICJAKSA-N 400.483 1.296 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1767574619 HDAGEGXTBBSCRO-QGZVFWFLSA-N 407.522 1.897 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1768669149 PGNDBKXRNAAOLM-IRXDYDNUSA-N 413.478 1.966 30 10 HDEE COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769246343 HQTYWTZNMPSRIH-QGZVFWFLSA-N 422.493 1.528 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1771332225 QYBWMXBMHPWNHL-GOSISDBHSA-N 406.446 1.951 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCOC2(CCOCC2)C1 1772567125 JRSVEGZEGVTHPX-INIZCTEOSA-N 405.499 1.208 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)ON1C(=O)c2ccccc2C1=O 1772785123 PYRUJAZWVORHPE-UHFFFAOYSA-N 412.782 1.512 30 10 HDEE CCOc1ccc([C@@H]2Cn3nnc(C(=O)N4CCO[C@@H](C#N)C4)c3CO2)cc1Cl 1848505150 ZCOWZHDLBWOXDW-GUYCJALGSA-N 417.853 1.966 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CC(=O)N(c3cccc(Br)c3)C1)CC2 1849034948 VLMFELHKIGNFFI-NSHDSACASA-N 414.263 1.982 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CC(=O)NC1(C)C 1849747756 KSMZIEFWHPJNMZ-RTBURBONSA-N 416.518 1.953 30 10 HDEE Cn1cc(C#CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cn1 1849995085 ZUIFEZHRQLVLKT-UHFFFAOYSA-N 404.467 1.128 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)NCC1CCN(c3ncccc3C#N)CC1)CC2 1850730841 KGGMKYDCOFSSJZ-MRXNPFEDSA-N 406.490 1.185 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)OCC2CCN(c3ccc(C#N)cc3)CC2)CC1 1851360671 QKHQHGIUJRLUDQ-UHFFFAOYSA-N 405.520 1.989 30 10 HDEE N#Cc1cnc(NC(=O)CCCN2CCS(=O)(=O)CC2)c(Br)c1 1851877115 VDXWCAOTRNIQME-UHFFFAOYSA-N 401.286 1.165 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(c3ccnc(Cl)n3)CC2)cc1 1853559857 CVWNUKPMQCVTAZ-UHFFFAOYSA-N 418.885 1.514 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCC(Cn3cnc4ccccc4c3=O)CC2)C1=O 1853720026 JAJIMKZESAWJDF-LJQANCHMSA-N 407.474 1.540 30 10 HDEE CC(C)n1cc(CN(C)[C@H]2CCN([C@@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065088 IAUBHZUXSKELHK-RBUKOAKNSA-N 400.527 1.791 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](N(C)CCC#N)C3=O)CC2=O)cc1 1854242579 PWOVAMWUICZUMG-LPHOPBHVSA-N 412.490 1.801 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C12CCCCC2 1854418952 PCFIVVHMLNBEER-NSHDSACASA-N 413.393 1.504 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)COc3cncc(Cl)n3)C1=O)CC2 1855010573 QMCLPTXROOZHDO-KBPBESRZSA-N 403.870 1.652 30 10 HDEE C[C@@H](CC(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O)n1cnc2ccccc21 1855018982 GRCPGBQDZLJUQN-ZWKOTPCHSA-N 408.506 1.646 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCCN(C(=O)Cn4cncn4)C3=O)CC2)cc1 1855126614 DOJZOLDGKAXHDP-IBGZPJMESA-N 408.462 1.211 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)C1 1855537630 MBVNZCDFIAAPCV-CVEARBPZSA-N 400.454 1.789 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855597026 UUYJRSVEYTWXAQ-IRXDYDNUSA-N 409.490 1.770 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(c3ncc(Cl)cn3)C2)CCN1Cc1ccc(C#N)cc1 1855599619 CLASHQUBIKLJNI-AWEZNQCLSA-N 424.892 1.697 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3noc4ccc(F)cc34)CC2=O)CC1=O 1856029219 HCDFBYLMGDJWAP-CYBMUJFWSA-N 400.410 1.172 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C(=O)C2)C1 1856839613 JOGJVYWOWBKBES-OALUTQOASA-N 414.506 1.184 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C(=O)C2)C1 1856867997 FTIUSUWOBOECMM-FQEVSTJZSA-N 410.518 1.748 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccncc3Br)C(=O)C2)C1 1856872143 LVVKDDWOTHXRIU-AWEZNQCLSA-N 407.312 1.779 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CCC2=O)CC1 1856959746 BOANAFZDELHBLU-QGZVFWFLSA-N 404.511 1.856 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccncn1 1857011803 OHBKJBJBBSDARB-HNNXBMFYSA-N 412.471 1.935 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc(OC)c2OC)C1)[C@@H]1CCN(C)C1=O 1857262757 AWWCBENQPOYWOA-NVXWUHKLSA-N 415.490 1.411 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3ncccc3c2)C1)[C@@H]1CCN(C)C1=O 1857264188 MHVCMXRGWLGVJE-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1857412462 LSYRNONRMVRQQV-IERDGZPVSA-N 400.454 1.439 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 1858328175 AHFFLTGEQDZPPR-GOSISDBHSA-N 419.528 1.483 30 10 HDEE C=CCNC(=O)[C@@H](CC)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593541 JGVWTBBQINQHIQ-IAGOWNOFSA-N 417.506 1.292 30 10 HDEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870516984 XYJVBICEFNEOCJ-UHFFFAOYSA-N 419.522 1.668 30 10 HDEE C=CCn1cc(OCCOc2cccc(C)c2)c(=O)cc1CN(CCO)CCO 1870771239 PMPJDSDJJNSVPS-UHFFFAOYSA-N 402.491 1.587 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)ON2C(=O)c3ccccc3C2=O)C1 1880978415 MOVZAFDSJLECCB-FQEVSTJZSA-N 404.419 1.893 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1884296537 DDPIFFVHGUDWSG-QAPCUYQASA-N 410.499 1.587 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891266070 GUZJNLGGSMBYCH-KBPBESRZSA-N 412.475 1.320 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 1900466922 NLAXHMASMZCZLL-UHFFFAOYSA-N 415.324 1.831 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1962360430 RXMLESVKBQURKD-MRXNPFEDSA-N 423.535 1.960 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1C#N 1985194377 PQDLBRQIFIOZRW-QGZVFWFLSA-N 412.494 1.677 30 10 HDEE Cn1c(Br)nc2c(NC(=O)C#CCNC(=O)OC(C)(C)C)ncnc21 2060509536 AGMPBHXOLREGAE-UHFFFAOYSA-N 409.244 1.592 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 2118164467 YVNDTWXOELNKIJ-CHWSQXEVSA-N 401.510 1.922 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H]1CNC(=O)OC(C)(C)C 2174784478 OEISEVKVMXYAFV-GJZGRUSLSA-N 401.529 1.729 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]21 2243393640 VYCYEGNKCPMQHR-GJZGRUSLSA-N 406.288 1.468 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243588248 WMGCSUYAVDVBOU-HJWRWDBZSA-N 406.292 1.520 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819926 KYEZWMYGOXAVIM-OCCSQVGLSA-N 420.319 1.694 30 10 HDEE C[C@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2247826812 ABYWMTDAMGPDGH-STQMWFEESA-N 420.319 1.837 30 10 HDEE C=C(CS(=O)(=O)NCCS(=O)(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2267410687 NKTJNBBUHKKPMI-UHFFFAOYSA-N 407.241 1.028 30 10 HDEE C[C@@H](O)[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2281938444 NZZKOTFUXQQFQY-ZYHUDNBSSA-N 401.721 1.923 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H](C)S1(=O)=O 2282001379 AMEDHOVGDISGTC-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE COC(=O)C[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316239 ZNYRDHMJZBMRRC-JTQLQIEISA-N 403.331 1.586 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCC[C@H]3CO)c2)OC1(C)C 2282333837 UAHHNLIELLYHIM-STQMWFEESA-N 401.359 1.734 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2C[C@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282494872 DPDRUKUQRKGOGM-STQMWFEESA-N 400.375 1.537 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C1CC1 2282498840 KDTCUEPRFYFEDO-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H]2CCN2)c1B1OC(C)(C)C(C)(C)O1 2282503770 FTLCBWVXSGAFKE-ZDUSSCGKSA-N 400.375 1.647 30 10 HDEE CN(C[C@H]1CNCCO1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282620704 ISHUAEKSLPICNB-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CC1(N)CC(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282829054 YUEWZCAYJAFGAR-UHFFFAOYSA-N 400.737 1.797 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CCOC2)OC1(C)C 2282837937 IDGPZSIZKSZBDM-LBPRGKRZSA-N 401.721 1.954 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CN)C1 2282847773 DVRLEJFFEZUSFD-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282849139 XGLHKVVIBAJXEF-STQMWFEESA-N 400.375 1.653 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H]1CCSC1 2282852569 QQMSFTAPLLJEHS-GFCCVEGCSA-N 401.363 1.141 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1O 2282854816 WJMLAYSAFDMARL-RYUDHWBXSA-N 401.359 1.685 30 10 HDEE CN([C@H]1CC[C@H]1N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282882402 LDRDDBMDNXGFFB-CABCVRRESA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)F 2284395090 HMKYZWXXNMVRBR-PELKAZGASA-N 407.294 1.445 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288911635 LROQDTDBKRYCRL-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE COC1(C#CC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CCOCC1 2363809452 GMPQWCRWBMNELE-CQSZACIVSA-N 403.497 1.083 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)CC12CC2 2365201613 AVSFDXAMNVIABW-IFXJQAMLSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2365208540 DBAHTHONQOSASG-DEXNDLTESA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365213206 TUNSDMHWOBYHMX-APXRDBCWSA-N 400.541 1.339 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)CCCOC1 2367800208 HUARJNXUGZXZGR-KXBFYZLASA-N 400.541 1.619 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367803312 JXHWEPIWCGXSJY-CVEARBPZSA-N 401.573 1.390 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 43483435 IYYCJJWVTQOAPM-UHFFFAOYSA-N 404.879 1.729 30 10 HDEE COc1cccc(N2C[C@H](C(=O)NCC#CCOc3ccc4c(c3)OCO4)CC2=O)c1 90730829 HVMGUCWUEGNXSK-MRXNPFEDSA-N 422.437 1.975 30 10 HDEE CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C\NC23CN4CN(CN(C4)C2)C3)C1=O 103979886 LDUDCIJZGDZOTK-VIZOYTHASA-N 408.458 1.022 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)o1 106125030 TVSRHCUDKKLHCC-UHFFFAOYSA-N 417.491 1.585 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(Oc2cnccn2)CC1 427822341 ZEXBVSBYURIHDW-CQSZACIVSA-N 415.475 1.085 30 10 HDEE COc1cc(NC(=O)CNC(=O)c2cc(C#N)c(SC)nc2O)cc(OC)c1 428262438 SZQJTENDPTTWEU-UHFFFAOYSA-N 402.432 1.766 30 10 HDEE CCCCNC(=O)c1c(NS(=O)(=O)c2ccc(C#N)cc2OC)nc(C)n1C 430656114 RTWVLDNIPITHOY-UHFFFAOYSA-N 405.480 1.940 30 10 HDEE C[C@@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)S(=O)(=O)C1CCOCC1 438601669 BHNRUENJPZOWTG-OOHWJJMZSA-N 421.519 1.742 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@H]4CCCC[C@H]43)cc2C1=O 440700394 ZZROJRYLDPDYMB-SJORKVTESA-N 402.472 1.650 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CCC(=O)Nc1ccc(C#N)c(Cl)c1 441193858 IGVORRLDKOYLHU-AHCXZYCDSA-N 419.865 1.965 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(C#N)c(OC)c1 462469045 APSLNPVBUDZRRK-JHNDHUHGSA-N 401.419 1.201 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)CC1 463537906 ALFDNKTTZYRRDM-INIZCTEOSA-N 408.437 1.729 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)cc1 470379559 NAXPKJLZOVZBQD-GOSISDBHSA-N 424.482 1.837 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCOC2)O1 478337526 IMIXNZBRELUOIZ-OGWOLHLISA-N 407.492 1.022 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 481532975 PWPBWIYIUDFVAS-HXUWFJFHSA-N 414.483 1.779 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 488831985 XNHCKJNVSLTNGZ-UHFFFAOYSA-N 417.462 1.918 30 10 HDEE CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 492624592 DJEZPHOVMGRNPI-KRWDZBQOSA-N 401.511 1.084 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 494181654 DGVGDPDROMJKMF-STQMWFEESA-N 413.396 1.812 30 10 HDEE Cc1csc(C2(NCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CCC2)n1 494816305 QVISNHNBENVNTG-UHFFFAOYSA-N 400.508 1.937 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 508497599 MIWVCKFRTOVVGF-KGLIPLIRSA-N 401.558 1.129 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1 508618744 DHKXEMARPINBLU-UHFFFAOYSA-N 401.486 1.869 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(CNS(C)(=O)=O)CC1 510175372 JASHEVXNILITFI-MRXNPFEDSA-N 422.551 1.592 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)CC1 522307935 PCSHUXWESYTERA-INIZCTEOSA-N 402.495 1.366 30 10 HDEE Cc1cc(NC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)nn1CCC#N 538616376 ARXJBLRRQZOYJN-INIZCTEOSA-N 401.515 1.702 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c1OC 544714420 COBNDGXKGXMRCK-UHFFFAOYSA-N 421.519 1.875 30 10 HDEE Cc1ccc(NC(=O)CN(C)C(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1 545504592 VVXUSUYGKROZIM-UHFFFAOYSA-N 406.490 1.481 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H](CN1CCCCC1)C(=O)O 547888827 MBSNDWICIBYLQD-CYBMUJFWSA-N 405.398 1.794 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 553980796 VTUHQBOSPPJSNK-OALUTQOASA-N 404.470 1.683 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1C#N 563665118 HTTPBKBDDCZWQP-OXJNMPFZSA-N 400.504 1.830 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(CCO)Cc1cc(OC)ccc1OC 564378235 JXLOPGTVWNFJCJ-GOSISDBHSA-N 404.467 1.568 30 10 HDEE Cc1nc(SCC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(C#N)c(C)c1C 577829548 XVSNLLLRUIUNAU-UHFFFAOYSA-N 422.576 1.997 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCCN2CCN(c3ccncc3)CC2)c(F)c1 586850431 BWCRKPJPTKLKML-UHFFFAOYSA-N 424.480 1.037 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccn2)c1=O 603798660 BEHQNOQOIOCPFQ-UHFFFAOYSA-N 402.479 1.384 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609489896 GMTAKSAZACHLMI-OAHLLOKOSA-N 424.417 1.408 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 730097775 KLTIESHPKIHEJW-JQHSSLGASA-N 419.503 1.637 30 10 HDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1=O 732649368 TXZJLVUCJQMEAB-CJNGLKHVSA-N 402.882 1.900 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 740213597 JNHBJBXDSLIPNA-XHDPSFHLSA-N 408.457 1.744 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1Cl 742143296 HUSBCHPWZWYDNA-CQSZACIVSA-N 401.875 1.777 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(NCCOc2ccccc2)CC1 750170851 BBMBQALATDUPFS-UHFFFAOYSA-N 400.504 1.843 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 756112668 DPAKDWCFEAWVSL-RISCZKNCSA-N 401.423 1.898 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 757925369 GLPIARIVKMAWQQ-YPMHNXCESA-N 406.443 1.477 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCc1ccc([N+](=O)[O-])cc1 762733750 MANWHXLWBQDCHR-CYBMUJFWSA-N 403.416 1.922 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CCN1C1CC1 767773991 KAXYCILRTMRULN-GDBMZVCRSA-N 409.483 1.602 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767871332 FCKVSBPDYVJXCM-ZDUSSCGKSA-N 401.513 1.418 30 10 HDEE C#CCN(C(=O)Cc1ccccc1I)[C@@H]1CCS(=O)(=O)C1 771296334 LHZBXDFUTQSQTN-CYBMUJFWSA-N 417.268 1.483 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccccc2OC)C1)c1cc[nH]n1 772354235 HRYPUOFFRIEOEQ-CQSZACIVSA-N 415.450 1.097 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774158476 WMDXOFLNSXXFQE-DLBZAZTESA-N 420.922 1.995 30 10 HDEE COc1ccc(C(=O)CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Cl)c1 780501766 NKGOPQVFOSUJND-HNENSFHCSA-N 405.838 1.954 30 10 HDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 782676228 DHFSPVTZCOYOCK-UHFFFAOYSA-N 402.451 1.839 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(-c2ccco2)cc1F 787497309 AHEHJTBWQCADTM-ZCXUNETKSA-N 412.377 1.667 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)n1 788605355 IMCFCEUSEBIYDE-UHFFFAOYSA-N 419.507 1.407 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 788809245 FKDIQQCGGUSCAL-UHFFFAOYSA-N 404.308 1.374 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)n1 789162857 LPNKRUBCGFCHPR-LJQANCHMSA-N 418.519 1.460 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c1 791495478 ZGTDSJJWTYPLDZ-OAHLLOKOSA-N 422.453 1.457 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccoc2)c1=O 794607966 NJWBKYXLQNMBJD-HNNXBMFYSA-N 418.540 1.755 30 10 HDEE CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CCC2 798743279 DWUXKIVPIRRMSV-JTQLQIEISA-N 417.447 1.620 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)n1cnc(C#N)n1 798745770 VKAUVKKTHUTRQJ-CYBMUJFWSA-N 410.434 1.565 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(Cl)c(Cl)cc1F 799254637 BLQOGLACYGSYLW-YPKPFQOOSA-N 415.208 1.714 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](S(C)(=O)=O)C2)cc1OC 800632059 BJUHGTYSMDSCES-INIZCTEOSA-N 412.508 1.870 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 804850250 CYFLPPZRHBQLPT-GFCCVEGCSA-N 404.414 1.951 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 807591640 HKTINGHQUCTVGQ-AZUAARDMSA-N 421.563 1.908 30 10 HDEE C#Cc1ccccc1CC(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 811257093 BJKOZIQMWDLGFV-CABCVRRESA-N 414.483 1.667 30 10 HDEE CCOc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccnc2)n1N 1084183629 QBVQPQVTKNQBNP-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1125883905 PCRJFAPLNFOHJZ-WCXIOVBPSA-N 410.536 1.671 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1136497335 GLLLRXYODONNBY-OAHLLOKOSA-N 413.459 1.059 30 10 HDEE CN1CCCN(CCCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1136653445 VPZHVLJGTBDOFF-UHFFFAOYSA-N 409.328 1.843 30 10 HDEE COCC1(O)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1137986032 ITCOHWCTFJZIDJ-UHFFFAOYSA-N 408.296 1.757 30 10 HDEE Nc1ccccc1S(=O)(=O)NCC(=O)Nc1cccc(C#Cc2ccccn2)c1 1141293194 LHMPEJLCLOEOTQ-UHFFFAOYSA-N 406.467 1.981 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1148620725 ROGOZWFIJNWTCS-MRXNPFEDSA-N 400.284 1.560 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)ccc2c1=O 1151443250 DQQGVIMNEVVXRU-MWSMCUOVSA-N 403.529 1.997 30 10 HDEE Cc1cc(C(=O)NCC#CCN(C)C)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1170983958 KPCYIKGWJFUTCF-UHFFFAOYSA-N 402.520 1.095 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CS(=O)(=O)C[C@H]2C1 1175935115 GOXWEEBHSUGNGA-YESZJQIVSA-N 405.520 1.697 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@H]13)C2 1179869991 ZARQBCCXSCINJV-XEZPLFJOSA-N 405.549 1.812 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)c([N+](=O)[O-])c1 1191928313 JYLRXFOFTSSSOF-AWEZNQCLSA-N 408.480 1.175 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccccc1CC#N)C2 1211828751 DLRIOJORNLJPCF-UHFFFAOYSA-N 419.528 1.750 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)C1 1248675008 CJEHDDMWFPZJCS-CVEARBPZSA-N 408.424 1.903 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)c2cc(C#N)c(SC)nc2O)cn1 1255773700 WJZCVUCTLKPXEE-LOKFHWFJSA-N 405.505 1.543 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1286275496 SQSJLXIGNVCCRC-CHWSQXEVSA-N 408.528 1.680 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(F)c1 1286376363 KHPMBTBEMARTNG-GJZGRUSLSA-N 406.483 1.856 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCNc2ccccn2)CC1 1286470468 ZUFAYPRHLCGTPM-UHFFFAOYSA-N 410.526 1.069 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)c2ccccc2)CC1 1286479536 MPGNDOCXDKZAMG-IBGZPJMESA-N 407.522 1.121 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCCCC2)C1 1286504045 HYTKUDBXFGVFFM-QZTJIDSGSA-N 416.595 1.908 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1286713132 BMJAWKTZVDBWSM-AWEZNQCLSA-N 405.524 1.632 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1286721427 STPUNFZWLXWJRB-UHFFFAOYSA-N 408.480 1.357 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1286722966 WQTHTMDCYKDPOF-UHFFFAOYSA-N 422.489 1.987 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1286753662 FQPZVAYSRGKUBN-HOTGVXAUSA-N 419.555 1.526 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1286755989 FOCBDIPNIYKIBL-VLIAUNLRSA-N 401.467 1.724 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286775011 UYCZLHWMLPFMMR-GOSISDBHSA-N 402.543 1.493 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(C)c1 1286785085 APXYBMZVOOGWGL-KRWDZBQOSA-N 412.494 1.355 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1286789455 DTYFJUFYANGLSN-CHWSQXEVSA-N 414.432 1.337 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 1296165788 BZMFTNRIMQYLHV-GIMINZRKSA-N 412.490 1.710 30 10 HDEE CCOC(Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1)OCC 1296166324 GBNRZUATGYGSKI-ZBFHGGJFSA-N 421.498 1.771 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1297835185 BRMMXYVUQHHGAE-XYPHTWIQSA-N 407.492 1.463 30 10 HDEE CN(C[C@@](C)(O)c1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1299701958 HEVDRDJFGYHBIK-HXUWFJFHSA-N 401.488 1.858 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300416738 ITKBBBPUGOJJRA-UHFFFAOYSA-N 409.538 1.324 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1300472478 AWNXVSBQQPKKIE-UHFFFAOYSA-N 405.524 1.435 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300504144 KBSMUNWZLBGAAA-SQGPQFPESA-N 422.551 1.571 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1301273174 PHMFQJPKPFXGRO-HNNXBMFYSA-N 415.523 1.745 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1301295833 APIBYYNEGVPQJC-ZDUSSCGKSA-N 409.478 1.687 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301459129 QMQGKNKJRBZPRP-LIRRHRJNSA-N 406.483 1.603 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)N1CCOCC1 1302241732 BOJQFHZJAUFLHI-XSLAGTTESA-N 406.531 1.319 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1302487699 LZGKFXYJWQUCAD-OAHLLOKOSA-N 418.523 1.509 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)cc2)C1 1302977870 DNQUXHIQFMEKOO-OAQYLSRUSA-N 405.437 1.853 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1(C)C 1304270777 IOGRXOWXCIDKMZ-FGBSKUFISA-N 411.524 1.323 30 10 HDEE CC(C)n1[nH]cnc1=NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1306856512 BXTMPJLKFAXYRQ-UHFFFAOYSA-N 404.496 1.519 30 10 HDEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CSC1 1307917917 DUDQOAKEJUUTII-SXGWCWSVSA-N 416.528 1.285 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CCO1 1307968041 SSEYDWJRFWXXJB-UTKZUKDTSA-N 404.463 1.831 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1309666283 IRNONMCKUHFNRJ-VIFPVBQESA-N 408.245 1.427 30 10 HDEE C[C@@](O)(C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)C(F)(F)F 1320568142 DFOOQTBZHYSVLT-FIFPYPGSSA-N 404.389 1.248 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC2)CCN1C1CC1 1332145245 PKALSRVKZXWKAS-WBVHZDCISA-N 422.493 1.138 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 1352234490 FIIOHTLTIVNGFJ-CYBMUJFWSA-N 401.448 1.018 30 10 HDEE COC(=O)CN(CCN1CCOCC1)C(=O)c1cccc(C#N)c1Br 1354004860 UYKOTUAIUFBSFD-UHFFFAOYSA-N 410.268 1.268 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1358869887 ZHHPDZCOJSYTQB-UYAOXDASSA-N 424.549 1.948 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1358918769 GVUAHTCMBGSKIS-HNNXBMFYSA-N 422.449 1.608 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCc2ccccc21 1358948389 BJYABDHXPNQWOZ-AEFFLSMTSA-N 413.547 1.701 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358956089 AEYVHWHSKVGTTE-FUHWJXTLSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1358995091 FBHAIIUFNCSQQM-MBSDFSHPSA-N 408.502 1.880 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC[C@H]1COCCO1 1359025258 IOVQQLRUFPYOHQ-IBGZPJMESA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C)CCOCC2)CC1 1359031261 VXDBHNFBUGTVAG-JOCHJYFZSA-N 417.554 1.502 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)SC)CC1 1359040549 ZSYWKSHJIRDBFW-OAHLLOKOSA-N 418.567 1.231 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1359056494 GIQYKNGQFJQLTH-OAHLLOKOSA-N 422.580 1.225 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1359062300 CJKWLBWQWJCYPL-OXQOHEQNSA-N 419.551 1.331 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCC(=O)N(C)C 1359065551 UCWSTBJIWJEKET-NHCUHLMSSA-N 403.527 1.791 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1359123006 JDPAGWSMNUNZKW-GOSISDBHSA-N 418.567 1.948 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1359197280 JYAYFKNNJVKNOD-UHFFFAOYSA-N 400.527 1.977 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1csc(CC)n1 1359291306 LOMXNHSPYZMERW-UHFFFAOYSA-N 405.528 1.374 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H](C)C1 1359296135 YATHSFULELCPQV-JKSUJKDBSA-N 421.509 1.705 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cccs2)CC1 1359299286 BESPXXPYZWDENZ-INIZCTEOSA-N 416.551 1.862 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1 1441659094 PAAGZUJAMBWIEM-UHFFFAOYSA-N 406.446 1.342 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)OCc1ccc(Cl)cc1)c1cc[nH]n1 1446744288 TUJULECKEMBNSR-UHFFFAOYSA-N 422.825 1.207 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 1449791553 JBPQZOJTHKEZJN-OAHLLOKOSA-N 407.467 1.728 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1452947585 LRRCBYBFTQGCLH-DLBZAZTESA-N 419.528 1.965 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccc(O)cc3C2)s1 1453955102 BDVDBERHPWCJOC-UHFFFAOYSA-N 408.501 1.882 30 10 HDEE CN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)CCc1cccc(C#N)c1 1460662118 GFZCYYGQZTUEED-UHFFFAOYSA-N 414.531 1.429 30 10 HDEE C=CCCSCCNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1461405989 IFQGNHNHFCYCCQ-UHFFFAOYSA-N 411.593 1.872 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1c1cccnc1 1463587306 IGTSISJNOXGGTN-YADHBBJMSA-N 419.485 1.196 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCNS(=O)(=O)c1ccccc1 1464603168 FWRUWTORCBFACM-UHFFFAOYSA-N 414.487 1.762 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1 1471930124 ZJBTXJOGRSNNNT-TXDAXLQXSA-N 408.520 1.853 30 10 HDEE Cn1c(=O)[nH]c(NCc2ccccc2NS(=O)(=O)c2ccccc2)c(C#N)c1=O 1472681515 CSYAWNZGBOPBHD-UHFFFAOYSA-N 411.443 1.358 30 10 HDEE N#C[C@@]12CN(CCCN3CCN(c4ccc(Cl)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1473824551 MRAPHQWIYNHUHQ-PXNSSMCTSA-N 422.982 1.722 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1479210434 ZYFDDWCXKDWXKI-QAQDUYKDSA-N 405.520 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507540823 IRUOXDIOXHTGNZ-DZGCQCFKSA-N 422.580 1.373 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(S(C)(=O)=O)CCC2)c1 1507547551 MGODLXMWFNXSCU-UHFFFAOYSA-N 415.519 1.610 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507631715 SCITTZWJFMVTFT-OAHLLOKOSA-N 408.915 1.332 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1507651657 ARXVRUGTDXYJRB-GOSISDBHSA-N 411.531 1.367 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1507678150 DLUOQMISOIZHSL-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl 1507694601 OJFRUSRSBYMRSM-UHFFFAOYSA-N 402.886 1.987 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)c1ccccc1 1507713059 XFDSPJDQZAHXPK-HKUYNNGSSA-N 410.522 1.840 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507978171 GVSQRMPYXMEBNW-NRFANRHFSA-N 410.478 1.620 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1508074967 UQVRZAHBKIZNNV-FQEVSTJZSA-N 414.441 1.706 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1508078991 MCBPFLYPJJFDAL-ICSRJNTNSA-N 424.549 1.713 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1512408220 OPBGWGCUUAMIMX-ZQIUZPCESA-N 407.478 1.897 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnccc1OC 1519449866 NGWYDLSHUFTMMG-LESCRADOSA-N 414.466 1.183 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC2CC2)C1 1521069282 HSNHIYQIZZPVGD-IBGZPJMESA-N 418.498 1.531 30 10 HDEE CCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1=O 1527274815 YCBOGKVOLGEZLL-GICLCMKGSA-N 406.508 1.696 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)c1 1527476625 RXDZDVZKOPUDPR-UHFFFAOYSA-N 418.413 1.927 30 10 HDEE COC(=O)[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccnn1C 1537403861 AJFGZLGATJZMMP-OAHLLOKOSA-N 407.224 1.464 30 10 HDEE CSc1nc2nc(C)c(CC(=O)N3CCC4(CC3)CC(=O)C=CO4)c(C)n2n1 1538582661 JCBYPJNRZHBCCO-UHFFFAOYSA-N 401.492 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538982926 LVKBSXXYYNXFTD-CVEARBPZSA-N 417.535 1.693 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1539215619 HCVWBBVQKDQOID-MRXNPFEDSA-N 402.524 1.496 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)CN(C)C1=O 1539273063 JARAGFFDAJZOSH-HSZRJFAPSA-N 405.502 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(O)(CC)CC)CC1 1539475326 BUKKXJDOJVEVPE-UHFFFAOYSA-N 410.522 1.857 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1)C1CC1 1540094745 REPZRWMSWTUJDQ-AWEZNQCLSA-N 424.571 1.492 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1540155107 LOEVQRYXGMHJRQ-CVEARBPZSA-N 419.555 1.526 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1541907694 CAKIYGCUQBNLGB-GMHRPJKWSA-N 424.571 1.568 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c[nH]c3c(Cl)cccc3c2=O)CC1 1542894693 IGODFKUVKLORLI-UHFFFAOYSA-N 400.866 1.079 30 10 HDEE O=C(Cc1ccc(OCc2ccncc2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 1542978026 FJUWENGTEKZCIZ-QURGRASLSA-N 406.442 1.846 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 1545776542 GTIZEOISHMPUQL-BRWVUGGUSA-N 406.494 1.846 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 1545878391 JUGKIYIWKBTBTP-UHFFFAOYSA-N 409.446 1.515 30 10 HDEE CNC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1554486202 GOIQSBHXYKDVKZ-DNVCBOLYSA-N 400.414 1.369 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@H](CC(N)=O)C2)o1 1555989199 BTPAXYHXRHIMFP-CQSZACIVSA-N 411.466 1.119 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCC(=O)Nc3ccc4nc(O)[nH]c4n3)CC2)cc1 1557722034 DRALYUUGRCLGSB-UHFFFAOYSA-N 419.445 1.603 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(Cl)sc2Cl)CC1 1561667416 UBDCRRLMGZVCTB-UHFFFAOYSA-N 410.348 1.252 30 10 HDEE COc1ccc(CN2CC[C@H]2C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1566409504 GIYJYZBEJLMMSG-JXFKEZNVSA-N 406.490 1.668 30 10 HDEE N#Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cccc1OC(F)(F)F 1584771398 WDMPATTTZCOSDC-QHSBEEBCSA-N 409.320 1.558 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C[C@]2(O)CCCN(C)C2)nc1C 1585261095 GUEIMXKVICVGRM-QGZVFWFLSA-N 408.553 1.970 30 10 HDEE C#CCN1CCCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1586497568 XLFSOAFMXPIPEB-NFBKMPQASA-N 413.518 1.970 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1587909771 SNPQUIIOGGJLEY-CYBMUJFWSA-N 424.527 1.309 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1588025341 XCMKXCDODAPQAC-KRWDZBQOSA-N 421.567 1.577 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1588059787 VBYZQRFSHYBJAS-MRXNPFEDSA-N 421.567 1.020 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588065038 RTJZHOVZMVXKEJ-FUHWJXTLSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1588140059 SSZSWPDHVKWVJW-ZDUSSCGKSA-N 404.414 1.180 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N(C)CC 1588696027 KNTXLSMLZBKHPY-SJLPKXTDSA-N 405.543 1.761 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)c2ccccn2)CC1 1588733181 OWOJLDWBTBGJLA-UHFFFAOYSA-N 409.538 1.544 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCOC 1589053254 KYHRIIDIVPFOQF-UHFFFAOYSA-N 412.519 1.641 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1589060718 XHHIZNFTFZYLHK-HOTGVXAUSA-N 413.551 1.713 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1589089652 VAHNNECNUMJMNU-AWEZNQCLSA-N 404.565 1.702 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1593763516 MTWBGTJMHKZRTH-INIZCTEOSA-N 405.499 1.383 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1594669346 WZISKFNGRXXPPO-GOSISDBHSA-N 404.559 1.931 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594727186 LMLKKOYUTJEBBK-DLBZAZTESA-N 416.526 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595517273 VLSUABKLZIACPH-QGZVFWFLSA-N 408.506 1.757 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1595583363 DMVRDPHMYGTUJY-HUUCEWRRSA-N 423.491 1.013 30 10 HDEE CN(C)C(=O)Cn1cc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)cn1 1611463149 FAKRBMASKLHDMH-OAHLLOKOSA-N 406.487 1.887 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)CCC(C)C)CCOC1 1616260816 GGYIKRORQMXMCW-DUXKGJEZSA-N 421.542 1.846 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1618349960 MOQHZWMTTWTVMQ-FPLPWBNLSA-N 416.503 1.437 30 10 HDEE COC(=O)[C@H]1C[C@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 1619743581 BJPIWGGMRWLLQX-OALUTQOASA-N 424.501 1.819 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC)c2sc(SCC)nc2C)CC1 1623499342 ZOEQIJBFRYFPDM-HNNXBMFYSA-N 408.593 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1625192458 CQCJQGSJVJYMFL-FQEVSTJZSA-N 417.466 1.213 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1OC 1626139825 BGWGXOJGCZUKCR-LFSKPYRXSA-N 407.488 1.688 30 10 HDEE N#CC[C@H]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1629174439 GOMZQUIDGJGDRF-GOSISDBHSA-N 405.520 1.792 30 10 HDEE COc1ccc(CCC(=O)NCCn2cc(C#N)c(O)nc2=O)c(Br)c1 1630030672 QZOFAPKGADXXKD-UHFFFAOYSA-N 421.251 1.341 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2c(O)cnc3c(Br)cccc23)CC1 1630034369 ONEPKJRQPGLHRF-UHFFFAOYSA-N 403.236 1.901 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1)C(=O)OC(C)(C)C 1631151944 YGJAZKLRPUVZCO-UHFFFAOYSA-N 401.463 1.547 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1C[C@H](c2ccccc2)CO1 1633011961 OWDBSMLCVGORFW-IRXDYDNUSA-N 413.499 1.804 30 10 HDEE COC(OC)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1634993672 VLLFAZPYPJGWOF-GOSISDBHSA-N 403.460 1.313 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(O)C1=O 1637667151 AQBBNMPCMFRYBU-BHYGNILZSA-N 421.494 1.981 30 10 HDEE CNC(=O)[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1C 1638952592 OXDPTRWRZPJOLT-SFHVURJKSA-N 410.449 1.457 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1639989128 KPDGDHOHNHJZLU-UHFFFAOYSA-N 406.489 1.582 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1N1CCCC1 1640264958 FSXFZRNTZQEAMJ-HNNXBMFYSA-N 413.503 1.537 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCO1 1643861598 KIOIIEHCTKMXDZ-HUUCEWRRSA-N 405.524 1.507 30 10 HDEE C=CCCn1cc(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)nn1 1645335848 SEDLYIZGODGTEC-AWEZNQCLSA-N 413.482 1.872 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1646119058 LUYJRGLOXQMRHE-PFUSGODGSA-N 421.500 1.917 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)CCO2)n(Cc2ccccc2)c1C 1648645052 NJTFJYLPABODLD-UHFFFAOYSA-N 416.503 1.625 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1649537779 DYFVTKPLORPULO-UEXGIBASSA-N 405.543 1.497 30 10 HDEE CCN(CC)CCOc1ccc(CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1OC 1651399192 ANNADWAYMTYDIX-UHFFFAOYSA-N 401.467 1.287 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1cnc(I)nc1 1651644079 ACWWVJQKZHKWPL-JTQLQIEISA-N 407.219 1.458 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CCOCCN1C(=O)c2ccccc2C1=O 1651889572 QVADPKOVPNWALK-UHFFFAOYSA-N 402.410 1.889 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 1654620119 OFKKCEKIRSFQCH-UHFFFAOYSA-N 408.476 1.418 30 10 HDEE C#C[C@](C)(CC)NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1658720070 FQOMJBSCHMWSFK-HXUWFJFHSA-N 407.536 1.662 30 10 HDEE COC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1664242374 GSJCNFBUPDFESN-LLVKDONJSA-N 423.285 1.739 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1665330018 UWYHAJRRTXXACB-LBPRGKRZSA-N 404.282 1.942 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1671140813 VZVJEMKVRFEHOF-UHFFFAOYSA-N 412.533 1.010 30 10 HDEE C#CCN(C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CCN(C(=O)OC(C)(C)C)CC1 1675911903 OWNVOSHXBGKOGE-NJAFHUGGSA-N 407.511 1.835 30 10 HDEE CC1(C)CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1676575240 QJFQUWBVEDZTJT-QGZVFWFLSA-N 420.535 1.922 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1678664539 XQADZKPLRSFNHO-QGZVFWFLSA-N 401.463 1.352 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1684465056 RMUQGICLCISNBO-HXUWFJFHSA-N 421.505 1.081 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F 1685843934 DDVIYQQSBFKXOI-HZPDHXFCSA-N 419.469 1.949 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1689851277 OFXFZCXCTBEHQQ-SJLPKXTDSA-N 407.584 1.760 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1689924439 HJDLRNSQKNVIDL-KRWDZBQOSA-N 408.510 1.731 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CC(=O)N(C)C 1690011498 RVFWXAXFXNPTBH-UHFFFAOYSA-N 400.280 1.869 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1690182773 GKKDFDAFUJPFSA-UHFFFAOYSA-N 401.540 1.175 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690309850 MBHBFGCAABINEV-HOTGVXAUSA-N 420.514 1.537 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1690524558 NYLGOHCDDWKLDX-OAHLLOKOSA-N 409.494 1.937 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690653252 JHAHRMBVIKMNSD-GHTZIAJQSA-N 416.526 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCN1CCOCC1 1690665982 VQQSBGWCHGHUHL-UHFFFAOYSA-N 419.917 1.064 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1690672838 FQVFOEDUNYWPRE-CQSZACIVSA-N 416.913 1.491 30 10 HDEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F 1695758485 FTLHZWWAXWPBGW-LSDHHAIUSA-N 416.448 1.785 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1698302583 NTQZHIYQTHTKKQ-GOSISDBHSA-N 406.487 1.997 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705530182 TVAYPKFZSUCDFO-QGZVFWFLSA-N 416.551 1.861 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1705533878 SXZDDGHBGFEGDS-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1705553217 NJBNCJOMPJSZEX-IAGOWNOFSA-N 412.494 1.274 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OC)c1OC 1705587646 DAWBFYVHLBEGLJ-UHFFFAOYSA-N 409.490 1.945 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccsc2)CC1 1705641186 WDCXKNWBZYGDSI-JOCHJYFZSA-N 422.558 1.988 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(S(C)(=O)=O)CCC2)CC1 1705771028 DOHZXJTXAWSCAS-UHFFFAOYSA-N 407.540 1.524 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2oncc2C1 1705898504 OBMMWJADDNSOMV-UHFFFAOYSA-N 424.461 1.815 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705905444 VNUFXSFUMHBLMK-SFHVURJKSA-N 423.565 1.877 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CC=CCC1 1705937948 JQFSUTJMSFLAIH-QGZVFWFLSA-N 421.567 1.794 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1706172271 YLSGLWAQRDOQAY-AWEZNQCLSA-N 401.471 1.917 30 10 HDEE Cc1c(CN(C)c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)cnn1C 1707016838 FKWMKJHGWBAHET-UHFFFAOYSA-N 408.466 1.592 30 10 HDEE CCS(=O)(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1710853851 WHUYRAHXGGFAFJ-AWEZNQCLSA-N 419.507 1.698 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C1CC1 1711582283 FMOCCHMONPQWGR-HLIPFELVSA-N 405.499 1.472 30 10 HDEE C=CCC1(C(=O)NCC2[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@@H]23)CCOCC1 1718340806 JZJLZCJGIPATOZ-YZQIGWGISA-N 400.519 1.603 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)C#CC(C)(C)C)C[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cn1 1719478795 ZQGPEYHIOXSMRN-BHQCHZOVSA-N 410.518 1.304 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1722381308 NQEWOPFCYDFHFN-FQEVSTJZSA-N 402.502 1.360 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1722382941 DRJSEVINKSFWQZ-ZWKOTPCHSA-N 417.535 1.040 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(OC)C2CC2)C1 1722719790 ZXQLRIMOXXBIBI-XAUMDUMWSA-N 424.567 1.777 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCOCC1 1723777694 JJJFTCBHCPVLSJ-QGZVFWFLSA-N 403.531 1.251 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1730840053 JCQUAXGMKAXCNU-IAQYHMDHSA-N 422.383 1.123 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCOCCCO)CCN1C1CC1 1731190541 QXDSPZFHHCAOCV-ROUUACIJSA-N 404.515 1.095 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1740549766 FRXNPZLZDZXDSQ-IAGOWNOFSA-N 413.497 1.961 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1740724801 DGGYMWGIISPRKE-VSKRKVRLSA-N 417.554 1.377 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)CC1 1740841158 IQNWEXSCABSVQD-UHFFFAOYSA-N 412.494 1.712 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1741000489 BAWIXHGEDGGIHR-JKSUJKDBSA-N 417.539 1.460 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748730801 UHPMPNMTZJEPAR-GOSISDBHSA-N 411.510 1.338 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCn2cc(C)cn2)CC1 1749000005 JPHHAKCHFPNEQZ-UHFFFAOYSA-N 423.496 1.957 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(=O)N2)CC1 1749330840 PRYRFOMZNPMHAA-UTKZUKDTSA-N 403.527 2.000 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749399002 YIVQZKPSDUWGNZ-HZPDHXFCSA-N 424.571 1.351 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749421514 UOCABYJTUUGVIV-UHFFFAOYSA-N 413.526 1.423 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749425231 ZAKWCOXYNFLNLM-CQSZACIVSA-N 408.470 1.233 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCC)nc1 1760206536 CRNGYIWIZRXAET-UHFFFAOYSA-N 406.490 1.705 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1760208014 FSRZWNODUFAELQ-IYBDPMFKSA-N 414.510 1.210 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1NC(=O)CC1(C)C 1760208937 OSYDWOKTEMCGSW-QGZVFWFLSA-N 412.538 1.574 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2csc([C@H](C)OC)n2)CC1 1760258892 DOUCUDKIDJLYLQ-HOTGVXAUSA-N 416.551 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCC[C@@H]2C)CC1 1760273113 IRXXABVBDUQUHT-PKOBYXMFSA-N 414.554 1.580 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760279291 YBNGBPFXMMVQSV-WMZOPIPTSA-N 415.567 1.202 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760322627 VMWGPDJPFCIJLE-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1760345990 BWIARRIDRXCYMO-OAHLLOKOSA-N 410.540 1.878 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760438829 OMTLUAHOTMCZGI-HOCLYGCPSA-N 414.514 1.770 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760449993 BEQCGNNGJLSJBH-GOSISDBHSA-N 416.526 1.993 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)[C@@H](C)C1 1760609464 OQPWQXZPFJJNFM-RYGJVYDSSA-N 424.505 1.414 30 10 HDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1766929465 UNYCDUYGIJMGQO-RTBURBONSA-N 417.558 1.132 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCCO2)CC1=O 1767521062 CRJXJWFIKOIBRM-IBGZPJMESA-N 424.505 1.681 30 10 HDEE COC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769431550 FPEYSIUDCMFLJO-DVSFIDLUSA-N 416.526 1.866 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H](C(=O)NCCN2CCC(C#N)CC2)C(C)C)c1 1850086373 RSNRRHKWPUDASN-IBGZPJMESA-N 406.552 1.650 30 10 HDEE COc1cccc2sc(N3CC(C(=O)NCC#CCN4CCOCC4)C3)nc12 1850342262 VFAGQDYWBSCDKC-UHFFFAOYSA-N 400.504 1.193 30 10 HDEE Cc1cc(F)ccc1N1C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853389548 JQNUAGCLNTZXAH-HNNXBMFYSA-N 408.437 1.498 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854011676 GQDUHKAGSJBXPP-MOPGFXCFSA-N 417.531 1.375 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccnn1C 1854500011 MWDQAKGYNZESJC-UHFFFAOYSA-N 414.487 1.902 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1854667500 DGIRHYJAHZDHTQ-XJKSGUPXSA-N 409.895 1.266 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855015665 KGBBQRFGVSNKCZ-IAGOWNOFSA-N 416.547 1.547 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1855662725 GFEHHJUTVRPGLK-ZWKOTPCHSA-N 403.504 1.507 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(C(=O)CN3CCCC3=O)C2)CC1 1855870614 UJACZGDVGOTAKZ-SFHVURJKSA-N 408.502 1.541 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C(=O)C1(C)C 1856116333 XNHBRMFVGBBGAW-HNNXBMFYSA-N 413.474 1.794 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC[C@H](N(C)CCC#N)C3=O)n2)cc1 1856489067 SHGWIRWNGZWMQM-APWZRJJASA-N 407.474 1.753 30 10 HDEE C[C@@H]1CN([C@@H]2CCN(C)C2=O)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856616459 XNSATEJVXOOBBY-AUUYWEPGSA-N 403.442 1.813 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCn2ccnc2C)C1)[C@H]1CCN(C)C1=O 1857080012 JCEHZWJIAVIBLQ-ROUUACIJSA-N 401.511 1.066 30 10 HDEE COc1cccc(-c2ccc(C(=O)O[C@@H]3CON(S(=O)(=O)CC#N)C3)cc2)c1 1857084847 UAAGJHGAWUQFKF-SFHVURJKSA-N 402.428 1.988 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1C 1857145990 JIOOSCFCGPOROC-LJQANCHMSA-N 404.474 1.527 30 10 HDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861614256 ZROBKAGNFRKHEF-KSFYIVLOSA-N 415.490 1.803 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518220 VBQGCJVORBDPNY-UHFFFAOYSA-N 403.443 1.064 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccncc1 1874435980 GVGDUDPBABFQLS-WYMPLXKRSA-N 423.502 1.600 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](Nc2ncnc(Cl)c2C#N)[C@H](S(C)(=O)=O)C1 1877648939 UJLRTWPFLWGUGO-GHMZBOCLSA-N 401.876 1.446 30 10 HDEE N#Cc1ccc(F)c(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 1889957198 ABIAOPYZVRFAFQ-UHFFFAOYSA-N 411.441 1.249 30 10 HDEE COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccccc3C#N)OC2=O)cc1OC 1891436696 XOXMKZHQAKVPPT-OAHLLOKOSA-N 417.443 1.879 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)C1CN(C(=O)OC(C)(C)C)C1 1962320240 VFIFYMINRJIRCU-NRFANRHFSA-N 417.347 1.942 30 10 HDEE C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2015913175 QZIDBDUMEKAOFV-WCQYABFASA-N 424.282 1.966 30 10 HDEE C#CCN([C@@H]1CCOC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046023792 VQPKQZFZFKJCOE-AUUYWEPGSA-N 408.451 1.065 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](C#N)C1 2054404781 HLCXYVLVPWTNDH-QGZVFWFLSA-N 406.508 1.667 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)[S@@](=O)CC1(O)CC(C#N)C1 2074691834 PRKCMCHBAYKYGT-DHCFJBFPSA-N 408.476 1.558 30 10 HDEE C[C@@H](NS(=O)(=O)C[C@H]1CCC1=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186629024 NYBSKHYMSXSZLD-GHMZBOCLSA-N 400.331 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)CC2(C#N)CCC2)C1 2188796632 GIRZGROKFKKZAV-OLZOCXBDSA-N 401.485 1.452 30 10 HDEE CCN[C@@H](C#CP(C)(C)=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388063 GIKNBESHQNMEND-GJZGRUSLSA-N 406.485 1.972 30 10 HDEE C=CCN(CC(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 2241808225 ISNPIWXRJUCRAG-IBGZPJMESA-N 401.504 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](O)CN2C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379283 HWXUKEKHRIZZIN-CQSZACIVSA-N 406.288 1.204 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387677 YSHOCIJWBQVNAI-VXGBXAGGSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402888 OLZDWBGFUTVPMM-UHFFFAOYSA-N 404.276 1.873 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243666695 BFHOGACWFOABQQ-QWRGUYRKSA-N 424.332 1.453 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836767 IADMIPHYMRAOKA-CYBMUJFWSA-N 420.319 1.666 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)n1 2255817036 OTMXJEILPJBRAJ-IAGOWNOFSA-N 422.338 1.580 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2255949811 BCUGYRWSLRKVPB-GFCCVEGCSA-N 415.342 1.431 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](C4OCCO4)C3)cc2)OC1(C)C 2267367484 UGNYVECTIBSTPF-AWEZNQCLSA-N 409.313 1.369 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[S@@](=O)CC3)c2)OC1(C)C 2267413192 XKLPQPAKLDJOAC-XMMPIXPASA-N 405.372 1.190 30 10 HDEE CN(CC(F)(F)F)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468243 UGMAZERHCMCKRG-UHFFFAOYSA-N 400.253 1.766 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469739 AOGAGVSGCIVARO-XMMPIXPASA-N 409.360 1.480 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H](F)[C@H](O)C3)ccc2Cl)OC1(C)C 2282502730 PBPVSKARRVHPOR-UONOGXRCSA-N 405.684 1.343 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CCC(N)CC2)OC1(C)C 2282506901 ZAUNIHLGQXCOEV-UHFFFAOYSA-N 401.363 1.132 30 10 HDEE C[S@](=O)C1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282512891 WILFJAOFUCMOKF-VWLOTQADSA-N 419.761 1.391 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(C)CCCN1 2282827821 DSWBLTRSGHYWLE-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)NCCCC[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282838895 WEFAHRMYELRNOQ-RUZDIDTESA-N 421.415 1.793 30 10 HDEE C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852824 UUZNKBXYELCDSE-GXTWGEPZSA-N 401.359 1.971 30 10 HDEE CC1(C)[C@@H](O)CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858973 GHWVHQICRUKVIF-NEPJUHHUSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](CCO)COCc3ccccc3)[nH]n2)OC1(C)C 2303623831 GYLKHOMBXHORON-MRXNPFEDSA-N 415.299 1.407 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@]1(NCCC#CBr)C(=O)O 2305979558 CIQDACBEBZLJCO-MEDUHNTESA-N 405.289 1.847 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2O)CC1=O 2327841580 RXMUXWBDFONWNP-ZDUSSCGKSA-N 416.507 1.558 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338242027 QMWAFQRCFZJGKJ-UONOGXRCSA-N 401.554 1.801 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2sccc2I)CCC1 2342098054 RFPIQCABEZWQMQ-SNVBAGLBSA-N 410.302 1.828 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N(CCS(C)(=O)=O)C2CC2)OC1(C)C 2362566354 KZSFTUYYQLQDNT-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2365211862 PJJFOAMIQZMMFU-GPINWOSQSA-N 400.541 1.473 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367798418 ZMWWTAMOKDHTMX-XHSDSOJGSA-N 401.525 1.590 30 10 HDEE COC[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCCN1C(=O)OC(C)(C)C 2367799303 ZOYZEFRHZJMZGT-BEFAXECRSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C[C@H]1CCCO1 2367805201 ZGQRXUDOLZCRIZ-JKSUJKDBSA-N 400.541 1.701 30 10 HDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(Cl)c2)cc1 14005069 CJARTXBVJCBUDH-UHFFFAOYSA-N 411.896 1.429 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 22812885 UAEHBUAETODTML-QFIPXVFZSA-N 402.539 1.428 30 10 HDEE CCCC[C@@H](C)[C@@H](O)[C@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96030561 YGFZCBTYYSYELF-JAZQRGJZSA-N 413.603 1.974 30 10 HDEE in-vitro Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccc(C#N)cc2)CC1 238848597 IXRWUQUWAMIBBA-UHFFFAOYSA-N 401.492 1.445 30 10 HDEE Cc1ccc(N2CCN(CC(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 238934660 VJVJDDRWIAZHBH-GOSISDBHSA-N 420.473 1.969 30 10 HDEE C=C1CC[C@@H]2[C@](C)(COC(=O)C(=O)O)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 253532222 LBWGMBCRIXRVEF-HCZVZVKVSA-N 422.474 1.598 30 10 HDEE biogenic C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460813666 KYPJWWOVJBDZAD-UHFFFAOYSA-N 407.540 1.998 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCNS(=O)(=O)c2cccs2)cn1 461754403 ZDZYKRHUYMWHSO-UHFFFAOYSA-N 402.461 1.508 30 10 HDEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1 463239444 WRAVMACLKKCIMG-INIZCTEOSA-N 413.478 1.954 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)c(F)c1 478148684 KRMAFBIZGQCOEA-UHFFFAOYSA-N 416.478 1.783 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCc3nnc4ccccn34)C2=O)cc1 487441857 RMZFZPMOJBFNRC-SFHVURJKSA-N 417.473 1.634 30 10 HDEE CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505009449 SMJVLGWFSUKKMS-UHFFFAOYSA-N 413.522 1.928 30 10 HDEE Cn1cc(C(=O)NCC2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cn1 506188143 FQYOUKRLQCCNRT-NRFANRHFSA-N 417.510 1.650 30 10 HDEE Cn1c(=O)c2sccc2n2c(CN3CCN(c4ncccc4C#N)CC3)nnc12 506947197 NGVWLDFDINLLQO-UHFFFAOYSA-N 406.475 1.232 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1C 511138625 ONKDEOJOMLIIOF-GOSISDBHSA-N 406.552 1.906 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 523306389 HKMOFULYFNCHJP-CQSZACIVSA-N 401.513 1.418 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 537920649 ZZSGUPYXCZQXAS-SFHVURJKSA-N 416.503 1.424 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(=O)c3ccc(F)cc3)CC2)cc1 543493876 OMXDKAWUQIFGGL-UHFFFAOYSA-N 401.419 1.413 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ncn(C2CCCCC2)n1 544245617 DFDZGWRULDKHJI-CYBMUJFWSA-N 402.480 1.960 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 549270727 LHCGKNOMUVPLIG-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)CC2)nc1 587640549 LRIFBTDPLZCASJ-UHFFFAOYSA-N 407.478 1.168 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)cc2C1=O 608227961 JFUZRMKSGLTRSM-PXAZEXFGSA-N 407.430 1.126 30 10 HDEE Cc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609944784 WREPPNIEOPARPF-UHFFFAOYSA-N 424.432 1.733 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 685544968 WSMYZAOTSPKLAM-MOPGFXCFSA-N 413.522 1.530 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 685546083 WKHGCBSGWRCDFZ-UKRRQHHQSA-N 403.508 1.625 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O 726043047 JHWJKMPUHBWFES-HNNXBMFYSA-N 415.446 1.332 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 729810071 SFGDVZDIUQMQFL-SJORKVTESA-N 409.508 1.333 30 10 HDEE C#CCN(CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 731213478 DBEJIRCDFRLYHC-OAHLLOKOSA-N 413.337 1.530 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cn1 732560942 CZGZGSZMNKCHTR-UHFFFAOYSA-N 419.510 1.206 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665074 WWAIENHDRFEEHC-FUHWJXTLSA-N 416.547 1.745 30 10 HDEE COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1C#N 747068942 JZOARXQBSBQUBY-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]([C@H]2CCOC2)C1 749123014 PZXKQPKAKNQZBN-HOTGVXAUSA-N 405.520 1.780 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 750384520 IYSWLXCKSLVHFB-UHFFFAOYSA-N 422.484 1.238 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC1CCN(c2ccncn2)CC1 752577878 IPOQSHXPRXATBV-CQSZACIVSA-N 415.475 1.227 30 10 HDEE COc1cc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(OC)c1O 758416055 WJNVSGLDKYYZSF-UONOGXRCSA-N 420.466 1.968 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 770543446 HVPHBGYRHRGCLN-LBPRGKRZSA-N 401.238 1.620 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 772560100 JEGFAKSHAFMWRU-CYBMUJFWSA-N 408.455 1.274 30 10 HDEE C#CCN(C(=O)NCCC1CCN(CC(F)(F)F)CC1)[C@H]1CCS(=O)(=O)C1 774237432 SQPIJEUDSKJDAX-HNNXBMFYSA-N 409.474 1.483 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 775985578 CPPWCDMTKPNEKE-PKVYGZRPSA-N 421.523 1.617 30 10 HDEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1-c1ccccc1C#N 782696661 KBIQDJAFYGWNKY-UHFFFAOYSA-N 415.384 1.947 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 783010732 GCXSTDPIQONLCE-CYBMUJFWSA-N 407.414 1.864 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)cc(C)c2C)n1 788695654 WDYUZBFOSZCSMP-UHFFFAOYSA-N 419.503 1.757 30 10 HDEE C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 791184511 MOPWODZLCGKSQH-WLBJMYBSSA-N 413.474 1.472 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2F)CCNC3=O)ccc1F 791357339 RARHNDIQMOHGCI-UHFFFAOYSA-N 421.425 1.967 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(CCO)Cc3ccnn3CC)ccc2c1=O 794054135 LBNGQEZTRUQRLU-UHFFFAOYSA-N 413.503 1.722 30 10 HDEE Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 794580141 URAGNAVDBFZNBL-SFHVURJKSA-N 417.494 1.610 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)n1cnc(C#N)n1 798832278 WVRNWPOOMSVXGE-SSDOTTSWSA-N 407.761 1.888 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1)C(C)(C)C 805148176 VNJHMDYPYKIAJR-CYBMUJFWSA-N 412.455 1.853 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1 805229945 GRENMIGUDHYJHU-ZDUSSCGKSA-N 411.414 1.824 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 812180595 YKJUVOKKAJIALX-HUUCEWRRSA-N 420.514 1.474 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 813720574 VITABQZJHRHSDZ-HYVNUMGLSA-N 401.467 1.983 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)NC(C)=O)cc1 813983008 CZRVLPHTLXXSRC-KRWDZBQOSA-N 402.432 1.034 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN([C@@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 814664404 RCHSLFWQVCAZBX-GOSISDBHSA-N 412.490 1.985 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccn3)n[nH]2)cn1 1084373282 GWJFOSKMDBIJKP-UHFFFAOYSA-N 401.456 1.219 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(C)c2cc(C#N)ccn2)CC1 1128192456 MCSUOGONWDZJHG-UHFFFAOYSA-N 403.464 1.622 30 10 HDEE N#Cc1cn(CC(=O)NCc2ccc(OCc3cccc(F)c3)cc2)c(=O)nc1O 1136572425 AATYIXBWRDFQFI-UHFFFAOYSA-N 408.389 1.855 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCN(C(=O)c4ccccc4)C3)C2=O)cc1 1139810940 AKBFSHXSCPLWMT-SFTDATJTSA-N 416.481 1.938 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)COc1cccc(Br)c1C#N 1142761466 ASOKPUYLTXSZSD-UHFFFAOYSA-N 404.286 1.145 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1143068464 QZGRFYCPJCWLFK-INIZCTEOSA-N 406.504 1.778 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(CO)CCc2ccccc21 1144669239 NIVVLASUOADLPR-YCRPNKLZSA-N 413.499 1.218 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1154274901 SMYKVPXMNKIDAO-QWHCGFSZSA-N 409.936 1.420 30 10 HDEE C=CCOC[C@H](NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)C(=O)OC 1155779416 LXYALPBEOQFLHX-BIRYMOPTSA-N 409.442 1.713 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 1167231722 IUTGZJLGFQPGCL-FZKQIMNGSA-N 412.471 1.055 30 10 HDEE Cc1ccc(C(=O)NCC(C)(C)CS(N)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1171676027 XQMQOTMJHZNKLN-UHFFFAOYSA-N 410.345 1.339 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)C(=O)/C=C/c2ccc(F)cc2)cn1 1177713072 NXKJCZXRJUNWAW-ZGRWHYIRSA-N 405.451 1.530 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)nc1 1178460819 SKGWPCRKTPFLFB-OALUTQOASA-N 417.469 1.875 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1C 1189841924 ANZUJDGPVHMMDM-UHFFFAOYSA-N 405.455 1.044 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CCNC(C)=O)s1 1192213542 AESRIWXKMXSFST-UHFFFAOYSA-N 400.522 1.392 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1217140167 BLYBLRDAVVWGSB-UHFFFAOYSA-N 408.524 1.556 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1223386093 LTZXMCSEKWUEMP-IBGZPJMESA-N 418.563 1.758 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C2(c3ccccc3)CCCC2)CC1 1226516348 PUMMODQIEZBIBW-GOSISDBHSA-N 418.563 1.682 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1233928848 UACDPKHAIORESK-QGZVFWFLSA-N 411.499 1.660 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286349371 IHIRZGXXZDAFFY-GOSISDBHSA-N 416.526 1.160 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286383741 NKYCUWBETZGESQ-BOSXTWCSSA-N 422.551 1.213 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(c2ccccn2)CCC1)[C@H]1CCS(=O)(=O)C1 1286394964 QAQBEIHCYAQCLQ-KRWDZBQOSA-N 413.547 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCn1ccnc1C 1286426511 XOBILMSWDHZVIT-UHFFFAOYSA-N 405.462 1.674 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)COC 1286462722 SRMVZJMCXWBCHG-INIZCTEOSA-N 424.505 1.561 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286698275 RRUSWCFDMLTTAG-UHFFFAOYSA-N 412.542 1.692 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286723090 ZDZUWMSWTYRKSN-HNNXBMFYSA-N 410.478 1.713 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1286756517 NMOYWEVIVQOSAR-SJLPKXTDSA-N 411.510 1.808 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1286963470 RKBGBBMWIHNZGY-BBRMVZONSA-N 406.450 1.401 30 10 HDEE CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289202893 BEVBNQMGOGVWKV-BONVTDFDSA-N 403.382 1.509 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)cs1 1290407408 HHYMWCDYGKNFNQ-UHFFFAOYSA-N 415.523 1.233 30 10 HDEE CC[C@H](C)[C@H](NC(=O)/C=C\C(=O)c1ccc(C)cc1)C(=O)NCCN1CCOCC1 1292872750 WLUIIKGJWDLGIJ-VYVPYHCISA-N 415.534 1.713 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1 1300396350 OXVARCROTBIJTI-UHFFFAOYSA-N 413.360 1.130 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1300466341 WMTYFGYCEZKZBS-FQEVSTJZSA-N 411.506 1.972 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1300597684 PQPHIVRLVLVGCO-UHFFFAOYSA-N 417.473 1.793 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1300764626 YPWTZBNOSGORGX-UHFFFAOYSA-N 406.600 1.491 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCNC(=O)C(C)C)CC1 1301076021 XUWVZOUYEFLDRT-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301228961 BFSKLVWFXBFJSG-HXUWFJFHSA-N 414.535 1.952 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCn2ccnc21 1301806517 JHJGPZZUCLNVCX-INIZCTEOSA-N 409.498 1.819 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1nnc(C)s1 1302273154 TYVPJUUQCYBCBO-HOCLYGCPSA-N 403.512 1.950 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1OC 1302310708 CNLYQYICUOJVAI-JCECYMMASA-N 405.499 1.546 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OCC 1303111097 BNGXSILATHOVSM-INIZCTEOSA-N 410.492 1.804 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1303933107 FWHGOGWSROBAJV-KKSFZXQISA-N 413.526 1.666 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@@H](C)O1 1305143248 OVNFMGFBPGUDOY-HZPDHXFCSA-N 424.505 1.712 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1305431616 KMXRKWLSJFQJSY-QGZVFWFLSA-N 421.538 1.971 30 10 HDEE CC[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1305803750 DDGPBHMYEPXCBI-BZUAXINKSA-N 411.576 1.501 30 10 HDEE O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1308062830 WLXTWMDHNAGLSI-QRVBRYPASA-N 423.513 1.418 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1312002531 BRFUBMGTWXQHCS-IRXDYDNUSA-N 403.479 1.868 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1356174928 IOOKWSPFKDDKGU-INIZCTEOSA-N 413.565 1.669 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1358897096 SVXVMSWPCBOEHP-CYBMUJFWSA-N 421.427 1.910 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)CN1CCOCC1 1358944438 TUECEMZXOMQQSW-KRWDZBQOSA-N 413.522 2.000 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC(=O)NCCc1ccccc1 1358977679 SJLRJMVRCCGJHU-HXUWFJFHSA-N 405.502 1.951 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1358982417 WJTCZGJXCVIXGE-HXUWFJFHSA-N 407.522 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(F)(F)CO1 1358992395 KJBKWMCRDFEMFA-AWEZNQCLSA-N 417.416 1.893 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC=C 1359016939 PPKPIRHHKUYIHL-KRWDZBQOSA-N 410.453 1.310 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1359053750 XKLCHVXKYXLUNV-UHFFFAOYSA-N 414.535 1.782 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCOC1 1359089971 SEHVKCDKOUOOBX-SQNIBIBYSA-N 403.527 1.968 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359215737 INGQWLUCDOZOMW-ROUUACIJSA-N 423.583 1.305 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1359265176 AEHFUWMMHCFMRE-UHFFFAOYSA-N 409.556 1.906 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1359291935 FGDHVFBLHHMTOT-CAOSSQGBSA-N 424.571 1.205 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1359301694 IBNKVKQPNCYSMH-UHFFFAOYSA-N 400.458 1.012 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1359303384 MDOZHLSANRBXRO-QFIPXVFZSA-N 410.522 1.457 30 10 HDEE C#CCN(C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)[C@H]1CCS(=O)(=O)C1 1359871912 TWICHDFGQBICIH-KRWDZBQOSA-N 416.499 1.902 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1436052548 HMMGGZDERUNDNW-GUDVDZBRSA-N 415.490 1.658 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)cc2C1=O 1436606074 SXLQBIXOOQKDSM-UHFFFAOYSA-N 421.413 1.734 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c1 1441767178 QPYUXMMYNKRCIM-VGOFRKELSA-N 415.490 1.825 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1454714877 BRUREAMFGJNAFP-LSDHHAIUSA-N 412.512 1.051 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 1455115117 MDGGIDVXPXLJEH-LBPRGKRZSA-N 420.318 1.373 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 1457166418 ABQYEBRBKDDPGJ-PXAZEXFGSA-N 407.442 1.917 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)cc1 1463233316 LUAZUUHRWCGOQV-SFHVURJKSA-N 421.519 1.536 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)C(=O)OCC 1464252408 BNSOSVRRASKKSG-HNNXBMFYSA-N 412.895 1.875 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1466681857 QRJAEAADYSVSTQ-ZDUSSCGKSA-N 419.459 1.620 30 10 HDEE CN(C)C[C@@]1(O)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1467711399 MWRIAZQVLPCUSC-OWUBOECBSA-N 420.554 1.688 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc(S(C)(=O)=O)c(OC)cc1N 1467932600 NQAJMIWVZYQMGO-UHFFFAOYSA-N 408.476 1.985 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1471251173 NEUFUGFADFPXEK-HNNXBMFYSA-N 420.491 1.055 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(O)c(CO)c2)s1 1471645045 HAXMJHOXLRGEMW-UHFFFAOYSA-N 410.517 1.312 30 10 HDEE CN(C)c1ccc2nnc(CNC(=O)CCC(=O)N(CCC#N)c3ccccc3)n2n1 1472055406 BAMMRBUHSOHFGV-UHFFFAOYSA-N 420.477 1.534 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1 1475415639 HGFYIZKQBHPKNN-UHOFOFEASA-N 415.462 1.880 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2CC2(O)CCOCC2)n1 1492740785 HYQQJMXUUXWRBU-UHFFFAOYSA-N 413.526 1.811 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1502119205 HKKINMGMIPJUJP-LJQANCHMSA-N 424.505 1.681 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1503366457 ANVNXHFHCFSEPO-GOSISDBHSA-N 421.505 1.496 30 10 HDEE COCC(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1504536102 SSAJLUNGMDNSNN-UHFFFAOYSA-N 400.483 1.675 30 10 HDEE COCCOC1(Cn2c(-c3cnccn3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1505007557 JPMAYUCHADFAGW-MRXNPFEDSA-N 415.498 1.686 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1505314569 GRGRQXZLWUEBAX-IFXJQAMLSA-N 415.404 1.514 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1507520014 WEHKMWURDAWZSX-CQSZACIVSA-N 416.551 1.920 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1507592479 UMWUEPNBUNTQFW-GJZGRUSLSA-N 413.482 1.727 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1507768835 XZYWZVBZHSETRT-VBKZILBWSA-N 402.499 1.746 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1507848290 WBUUZYCGCQUONQ-SFHVURJKSA-N 423.583 1.828 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507942202 BWIYBVLGDNOZRB-LSDHHAIUSA-N 412.560 1.350 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507961528 AWFBYWMGXWUFGV-WBVHZDCISA-N 416.526 1.317 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1507973284 YFNBCNFHVXFCAR-UHFFFAOYSA-N 405.524 1.743 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCS(C)(=O)=O 1507980431 GTESHFPPOFFWFN-UHFFFAOYSA-N 419.555 1.509 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1515096311 MMUHWTKAVANYNY-NRFANRHFSA-N 410.478 1.339 30 10 HDEE C[C@@H]1CC2(CCN(C(=O)CSCC#N)CC2)CN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1515178009 OENLMGVKEIXCMH-PITCONLNSA-N 403.548 1.896 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1516194791 HJPJOCADUHSGOA-LSTHTHJFSA-N 405.499 1.476 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cnn(Cc3ccccc3)c2Br)n1 1525393548 CQIZORNHMNDYTJ-UHFFFAOYSA-N 400.240 1.587 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)CC1 1526783615 CFXFEFUMVGNFFC-UHFFFAOYSA-N 402.480 1.448 30 10 HDEE C[C@@H](C#N)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CC1 1531697589 HQDFFEDQFYCXPH-UONOGXRCSA-N 406.464 1.899 30 10 HDEE N#Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1531874728 JXWXEBLZSPBHKN-UHFFFAOYSA-N 403.236 1.641 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](OC)C[C@]2(C)C(=O)OC)ccc1F 1534858535 KAKCZWCYXFZPSD-FZKQIMNGSA-N 414.455 1.083 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539201449 ABJVWFXFIDOGHF-VNQPRFMTSA-N 407.540 1.404 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)C1CC1 1539307401 RCUBSFJJTNYKFW-HXUWFJFHSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1539336826 HUVRBZAAVXFEMU-JOCHJYFZSA-N 411.481 1.526 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(CC)CC)N(C)C)CC1 1539427393 DFGGMNVGRJEFRW-LJQANCHMSA-N 417.602 1.538 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539429889 FSJWBGAWKAOCLK-ROUUACIJSA-N 402.543 1.042 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCC2CC2)CC1 1539462547 WYYRMKBBOLFRPW-UHFFFAOYSA-N 422.533 1.447 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1540036795 UTMXKUJPWUOGMD-KRWDZBQOSA-N 407.515 1.060 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cnc2ccccc21 1540199119 WCWZRETYDWMPND-KRWDZBQOSA-N 409.494 1.918 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1540288711 BCWGAEVETKPSPN-UHFFFAOYSA-N 424.504 1.034 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N(C)C)C1 1540888446 QDBSCQJNHQGJBU-KRWDZBQOSA-N 405.524 1.618 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1540901549 HSBZCOPBPGSBKN-AWEZNQCLSA-N 408.528 1.283 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1540918351 PHFSGBQCSPFBGK-IBGZPJMESA-N 422.643 1.991 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O)N(C)C 1541840319 HZFDVOSFDPXWON-HNNXBMFYSA-N 404.540 1.638 30 10 HDEE CN1C(=O)CS/C1=C/C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1543679692 PSXAKBZBXJYKTG-GIJQJNRQSA-N 414.466 1.561 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)n(C)n1 1548369259 RKFWYVLCGSCZEN-MRXNPFEDSA-N 420.395 1.435 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCS(C)(=O)=O 1555736991 CULICNCLRYUSIF-HOTGVXAUSA-N 411.528 1.177 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1555807837 GOGSRUHQFOVQLS-DOTOQJQBSA-N 401.492 1.762 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c[nH]c2c(OC(F)(F)F)cccc2c1=O)C(=O)OC 1556375486 KNAIPHYMYCHDNF-GFCCVEGCSA-N 414.336 1.901 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1556585636 AROODSXQFDLRCL-UHFFFAOYSA-N 410.879 1.952 30 10 HDEE Cc1cc(I)cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1557602133 PJPGSCNODDTXDW-UHFFFAOYSA-N 424.198 1.164 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@@H](O)CCO2 1558496887 VQZXRCWBEXQAAA-HNNXBMFYSA-N 421.519 1.038 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN(CCCOCC(F)(F)F)CC1 1559497718 ITECREZFWFNBJO-UHFFFAOYSA-N 423.435 1.873 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CCOCC1 1561938244 MLTNZHZLKMOPQM-UHFFFAOYSA-N 401.282 1.399 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1564847522 NXTCTNGSWWMOON-MRXNPFEDSA-N 416.526 1.528 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1584145345 CMUQOEDFQOVECN-UHFFFAOYSA-N 414.625 1.699 30 10 HDEE Cc1ccc(Br)c2[nH]c(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc12 1585296082 OLJVUGIKYOQDFN-UHFFFAOYSA-N 416.235 1.803 30 10 HDEE C#CCN(C(=O)C1=NN2CCCN=C2N1)[C@@H]1CCOc2ccc(Br)cc21 1586216246 BJNLSHSBQOCWAP-CQSZACIVSA-N 416.279 1.713 30 10 HDEE CN(C)C(=O)CN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1587289876 KIEYPXCBBXEIIG-MRXNPFEDSA-N 409.531 1.196 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1587749450 IKNKLYGMTCEMRE-UHFFFAOYSA-N 409.538 1.790 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1587798926 WGRZGRRQVAHYMK-OAQYLSRUSA-N 400.527 1.229 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC(N)=O 1587803807 NYNMAHNJUBTHLD-CQSZACIVSA-N 416.913 1.975 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1587861020 FQIQIUSDFDOKMO-IAGOWNOFSA-N 421.567 1.336 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1588139720 QNVSGVVWOKRSIR-DNVCBOLYSA-N 418.544 1.222 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588445486 NGWSKCPQSYBLGR-KRWDZBQOSA-N 421.461 1.176 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@](C)(O)CC)CC1 1588779772 CELXSOSVNDCOPF-QFIPXVFZSA-N 413.522 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1588891512 PMNAAYSMTPZMNI-NEWSRXKRSA-N 417.554 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588923629 HAUABMJELXWRDL-WMZOPIPTSA-N 423.521 1.374 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1589069560 LPDOEKDNOONTQI-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1593689647 CCKZOTUCNHFAPM-OXJNMPFZSA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595522713 IWFBHYPNSYHGAG-DLBZAZTESA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1595562353 VXVGSGPJOLBICJ-HXUWFJFHSA-N 423.565 1.878 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595895023 FSNUYCCOHJISPV-HNNXBMFYSA-N 406.556 1.377 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1595895680 OCFIPKRZHZRBAH-MRXNPFEDSA-N 403.556 1.726 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 1596940859 BLFUYKOOERKJIE-IRXDYDNUSA-N 404.511 1.999 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1596979215 XKXISIBICHSMHH-MRXNPFEDSA-N 403.442 1.961 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)ccc1F 1597790925 RHVLXDGQGKSCBA-UHFFFAOYSA-N 410.427 1.831 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3cccc(C#N)c3Br)C2)cc1=O 1597992298 BPKBVHLTPYDFOM-NSHDSACASA-N 418.251 1.129 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@H](CC#N)C(F)(F)F 1598395289 VQHDAIDIRVYOOC-GFCCVEGCSA-N 412.411 1.079 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C#N)s2)[C@@H]2CS(=O)(=O)C[C@@H]21 1602761709 VOEVAZNYPNWJGV-OLZOCXBDSA-N 411.505 1.478 30 10 HDEE C[C@H]1C[C@@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1612704351 AFXFRXYKFGHEAS-YJBOKZPZSA-N 410.478 1.605 30 10 HDEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1616044829 IFYOVSHNNAZKNL-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CCO2)cc1 1617908220 DKQRZMSKIIOMAX-IBGZPJMESA-N 404.426 1.930 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccnc(OCCO)c3)CC2=O)cc1Cl 1618653681 IETKPJDJKDITQC-ZDUSSCGKSA-N 400.822 1.969 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1619488668 DSGHSEPEEYCBNB-FSZRXZPDSA-N 411.503 1.437 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@H](CCF)C2)CC1 1620493890 NNZJTSBLJZIGAR-OAHLLOKOSA-N 417.441 1.515 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1623969798 UCALETQTSRGCSF-AWEZNQCLSA-N 402.538 1.198 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1625450022 CKVSABFBVHYQOR-SFHVURJKSA-N 411.499 1.566 30 10 HDEE C#CCN(CC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1)C(=O)OC(C)(C)C 1626144111 SNLROLACLZXBQI-UHFFFAOYSA-N 413.540 1.273 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1626353902 IGJMUQGRSHNCHG-DLBZAZTESA-N 421.542 1.514 30 10 HDEE Cc1ccc2nnc(CNC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)n2c1 1626871740 OPCHWUKZYSJZGM-CYBMUJFWSA-N 412.475 1.171 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)C[C@@H](C)O1 1629863351 CLCDVPVHDUEJEN-CALCHBBNSA-N 412.556 1.349 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)C1=O 1635210046 ROMSRUJQUFKUHV-SPEDKVCISA-N 415.490 1.394 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1635650571 JWFGCEXFNQIPES-QAPCUYQASA-N 419.503 1.926 30 10 HDEE CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)S1(=O)=O 1636136548 HPPQFIHRPVQIPN-VXGBXAGGSA-N 402.469 1.161 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1)C(=O)OC 1637697496 UUEZBWJGKJDCQY-CABCVRRESA-N 407.264 1.621 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C2 1639105917 UZKACRHFNDINRH-GBESFXJTSA-N 415.515 1.510 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)cc1S(=O)(=O)NCC#N 1639629696 AZAOCTRYMXDLFP-ZWKOTPCHSA-N 420.535 1.026 30 10 HDEE CC1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCC2(CC1)OCCO2 1639903598 GZNMRQUBUYCARZ-UHFFFAOYSA-N 407.492 1.276 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([C@@H](F)C(=O)OCC)C2)ccc1F 1643843716 JKSHOAQPTMBBSC-XJKSGUPXSA-N 416.446 1.653 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCC[C@@H]3N3CCC(O)CC3)CC2)o1 1644149640 ILMMQFCKDYXVHI-HKUYNNGSSA-N 401.511 1.565 30 10 HDEE CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1645085699 VGYYKXGGKBUNNT-QGZVFWFLSA-N 413.503 1.968 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)CSc2nc(C)c(C)c(C)c2C#N)n[nH]1 1648081658 IMAUZGVYXIFICX-HIFRSBDPSA-N 400.508 1.986 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCC(=O)NCc2ccc(C#N)cc2)C1 1648330857 UZSQKFZAALPXGB-OAQYLSRUSA-N 402.495 1.526 30 10 HDEE O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040311 BTHRIRJHTRUZGC-RHSMWYFYSA-N 418.446 1.591 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)[C@H](C)C3)ccc2c1=O 1649082394 KDXJMCJPYIRTQV-DGCLKSJQSA-N 407.517 1.567 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@@H](O)C(F)(F)C2)CC1 1654177713 IUDCGOJEJGQUNV-OAHLLOKOSA-N 421.404 1.157 30 10 HDEE Cn1c(=O)[nH]c(NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(C#N)c1=O 1655673115 XFYWRCOWWIHUQA-SFHVURJKSA-N 401.426 1.754 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1657205415 LGAMOMHGJGZJJD-UHFFFAOYSA-N 414.535 1.961 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 1657443112 HTKONHFRGULRHG-OLZOCXBDSA-N 403.526 1.476 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@]34COCCN3C(=O)OC4)CC2)c1 1674061259 ZCMIATZSGSFKNE-OAQYLSRUSA-N 413.478 1.043 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CC[C@](O)(CC#N)C3)c3nccn32)C1 1676429606 QHDGHLHDKYYSHN-JLTOFOAXSA-N 416.482 1.334 30 10 HDEE C#CCSCCNC(=O)N[C@H](CO)c1ccccc1I 1679159758 TZSFGLQRAWWZGC-CYBMUJFWSA-N 404.273 1.990 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CCCC1 1682422802 XBFKMPBGFGNEHJ-UHFFFAOYSA-N 405.524 1.432 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1)c1ccc(Br)cc1 1683513153 YFHTWPQPLCDYFZ-IUODEOHRSA-N 414.325 1.799 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCN2Cc3ccccc3OCC2=O)CC1 1685146488 YNVAEEXEUNGDKR-UHFFFAOYSA-N 420.473 1.206 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689922533 QHKFAYXGHSIABG-INIZCTEOSA-N 416.503 1.753 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986092 IMPYCZQYMVYAAQ-GOSISDBHSA-N 416.551 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCS(C)(=O)=O 1690004774 GAINYGKFMVYPKR-UHFFFAOYSA-N 422.514 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CC=C)CC1 1690143942 HGMFLVJBWSQKMX-QGZVFWFLSA-N 412.538 1.797 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1690174712 IXPHAZOYYXAJKW-HNNXBMFYSA-N 407.565 1.677 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@@H]21 1690219313 BFFBOKALVTVSPU-TUAOUCFPSA-N 404.334 1.786 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H](O)C2)CC1 1690397013 SKEHVGDCOBSJKH-XIRDDKMYSA-N 411.572 1.842 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1690496963 CZJRRLSFHAHOSW-UYAOXDASSA-N 418.586 1.983 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1 1690655200 KNFRODWGLQNOQU-UHFFFAOYSA-N 412.494 1.332 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1691001589 LAJJPFVBWOIZQO-ZIAGYGMSSA-N 405.503 1.740 30 10 HDEE CC(C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1692404436 QFMSRCTUVSTDFJ-INIZCTEOSA-N 422.511 1.216 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)F)CCOC1 1692589603 AZZPPSFZEZEYBR-RDTXWAMCSA-N 415.441 1.677 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)cs1 1693360455 ITVUDIROXKMWGI-QGZVFWFLSA-N 424.534 1.872 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C1 1696941599 FVABELRYOFLLFV-IAGOWNOFSA-N 400.458 1.764 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCOC)CCO1 1696964726 OLRCSJOHXLSROV-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H]1OC 1698287993 AQGZBMJQMJAHOR-KDURUIRLSA-N 414.510 1.245 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1705534137 AEZZADVJHFTYMU-ULQDDVLXSA-N 409.556 1.507 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705538536 SAMMQJDIDYPFIL-QGZVFWFLSA-N 400.527 1.699 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1705567638 XRMJSGWFJNSTQN-RDJZCZTQSA-N 419.507 1.491 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CC 1705576354 JISPCLPMTWUNKF-HXUWFJFHSA-N 415.505 1.478 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(C)CN(C)C2=O)CC1 1705634505 YSKDDMWFYKXHNH-NRFANRHFSA-N 423.477 1.087 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1705635516 ANUZSUDPKYYKDR-QHCPKHFHSA-N 408.550 1.329 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)CC1 1705639814 XDIORLUVRRKVJN-INIZCTEOSA-N 423.608 1.221 30 10 HDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705815655 FIJLNZPKLIRGNP-UHFFFAOYSA-N 411.510 1.881 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705888292 PVOLKKFTBPYDPF-HOCLYGCPSA-N 401.492 1.249 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1706748570 WOWHRLRDAVJARC-DOTOQJQBSA-N 412.494 1.823 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1710451570 CVADOVBWTXSHLP-RTWAWAEBSA-N 419.526 1.866 30 10 HDEE CN(C)CCOCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711015597 HKDSLTIYBCGDHL-LJQANCHMSA-N 410.526 1.095 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722314452 NYBSUFWKCLAJJH-GOSISDBHSA-N 421.505 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCO[C@H](C)C1 1722420135 DZMMSPTYSYSDCU-LQWHRVPQSA-N 406.527 1.831 30 10 HDEE C=CCn1c(N2CCC(C(N)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722689181 IVPHYKONYNXLIP-GASCZTMLSA-N 404.515 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC2)CC1 1722727050 FOPKSPWCJCNNNG-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCC1 1723925951 BAFOJQUFRYVQOI-AWEZNQCLSA-N 410.544 1.323 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1730497259 FSHCQMACDQCMHW-HUUCEWRRSA-N 402.430 1.025 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1OC 1730871202 ADCAYLILWFAFAY-WMLDXEAASA-N 419.457 1.927 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740663307 FZJWQIPDHBPUHN-XLIONFOSSA-N 424.567 1.603 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(OC)cc2)CC1 1740696542 WNGKAOZCWUATKJ-SFHVURJKSA-N 411.506 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCS2)CC1 1740705140 BRXUDFMCUQPSLX-DLBZAZTESA-N 403.552 1.643 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ncccc2N(C)C)CC1 1740705254 FBEHQLBQQBZEAF-UHFFFAOYSA-N 407.522 1.631 30 10 HDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741115644 DRSQSDFPHRRZBZ-UHFFFAOYSA-N 411.510 1.928 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1741833328 FCTLAEAELZPHTB-SJORKVTESA-N 423.521 1.204 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1747356611 UKTODYIZKJYFBZ-LJQANCHMSA-N 407.478 1.955 30 10 HDEE CN1C[C@](C)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1748045608 JFQSCBVFGOHWAS-HRAATJIYSA-N 407.478 1.216 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1748953406 KYMBKNREGQGIBW-UHFFFAOYSA-N 422.533 1.750 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2(SC)CC2)CC1 1749009527 SDKWPMVHAZBRDZ-UHFFFAOYSA-N 413.551 1.540 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749032572 LWXVWOIWKKQCRW-OAHLLOKOSA-N 420.564 1.505 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1749064875 MGTSXNBDJJGCIS-LAUBAEHRSA-N 414.554 1.457 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1749324187 RGBVFLOKXCHBDI-OAQYLSRUSA-N 400.527 1.830 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2COCCO2)CC1 1749329523 OHEGNFTUTVWDRM-GOEBONIOSA-N 413.544 1.096 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H]1CCC(=O)N1 1749498742 HKPOVUNVSFGEOO-LJQANCHMSA-N 423.565 1.544 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1749557464 JQYMSJPFSJYVDN-SFHVURJKSA-N 400.527 1.951 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1749591236 OQSXEUUQHFXJAF-DYESRHJHSA-N 415.494 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1749710513 XVARCZRIGVQOQG-FUHWJXTLSA-N 415.494 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1749731746 JLFCZGMRLVXXEA-UHFFFAOYSA-N 411.528 1.425 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1751300232 KOHCIHWYTVPVBL-JXFKEZNVSA-N 406.506 1.725 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOCC1CCOCC1 1760160832 PUZYMKTUHZBRSA-UHFFFAOYSA-N 412.494 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCCN1CCC[C@@H]1CO 1760218719 LVBZHDCCUZSMCC-LEWJYISDSA-N 413.566 1.872 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1760224918 CSSSOGYNIZULFA-VXGBXAGGSA-N 411.450 1.315 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1760245272 YEPYHIACVVKUCG-UHFFFAOYSA-N 420.473 1.582 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760450376 JXMGPUZMJTYUFD-LJQANCHMSA-N 416.570 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(C)(C)C)CC1 1760555796 NRDUVGRDBSOWHB-INIZCTEOSA-N 411.572 1.303 30 10 HDEE CC(C)Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1761011660 DJIZLLJDPVZDRT-QGZVFWFLSA-N 408.572 1.888 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1761479707 QUWDEDGSRPYJOY-RDBSUJKOSA-N 406.512 1.884 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762436172 DLZQNEQMYBMMSZ-YISVQYQQSA-N 424.509 1.512 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1765274902 JBJSJZZIIHCZKG-ZIAGYGMSSA-N 405.480 1.308 30 10 HDEE CC/C=C/Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765340989 FXZLASQVCBEWLW-REMYHPOOSA-N 406.494 1.789 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(CC)nnc1N1CCN(c2ncccc2C#N)CC1 1765482920 PZSOYXNLZUXDGS-QGZVFWFLSA-N 424.553 1.986 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1766867962 GZFAGEGBGZQQKB-UHFFFAOYSA-N 409.450 1.831 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]nc1C 1771304796 KMCONYGOUPDBFI-BZSNNMDCSA-N 415.498 1.395 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1772567209 NRWHUNVNTXTJDJ-HUUCEWRRSA-N 418.523 1.856 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C)C(=O)C2)[C@H]1c1ccc(C#N)cc1 1848699343 YMWCNWLSPRKFHZ-RTBURBONSA-N 400.504 1.252 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848719664 FGSNVLLKWMCAHY-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H](C(=O)NCC#CCN2CCOCC2)C(C)C)c1 1850334256 LAPACOQPCAWQAX-HXUWFJFHSA-N 421.563 1.058 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(C#N)cc1C#N 1850585681 XXKLBUHPBMFBQP-SJLPKXTDSA-N 407.405 1.943 30 10 HDEE CCOc1ccccc1-n1nnc(C(=O)NCCN2CCC(C#N)CC2)c1COC 1850668851 GYXCUSYCLHWGSZ-UHFFFAOYSA-N 412.494 1.778 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC(C#N)CC1 1851968686 LDSFJTZALRKBNB-LLVKDONJSA-N 400.298 1.878 30 10 HDEE N#Cc1cccn1Cc1ccccc1NC(=O)CCCN1CCS(=O)(=O)CC1 1852275209 LAFKGKPXARMYPH-UHFFFAOYSA-N 400.504 1.857 30 10 HDEE N#Cc1ccccc1OCC(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 1853033769 GZEQKTNIIMVYGL-SFHVURJKSA-N 409.442 1.855 30 10 HDEE COCCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(C)cc1 1853416412 SUPAJFBYUKVKPU-UHFFFAOYSA-N 403.460 1.793 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C[C@@H]4CCOC4)C3=O)CC2)CC1 1853690929 LDMZCRWKLLREQQ-HKUYNNGSSA-N 416.522 1.015 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cncc3cccnc23)C1=O 1853805129 ZADASMACBNZZLV-ROUUACIJSA-N 407.474 1.480 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 1854035799 QNCCHBPSMXSKKI-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855738016 OIXORRHOXNHAFM-GUYCJALGSA-N 407.467 1.835 30 10 HDEE CCc1ocnc1C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855855153 ZIJDFHATAORWRH-OAHLLOKOSA-N 408.462 1.315 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1856264204 RDPRSEMRBLMNQU-INIZCTEOSA-N 405.520 1.600 30 10 HDEE C[C@H](C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O)n1cccn1 1856326285 DPPOBNQVPRPSPP-HZPDHXFCSA-N 412.519 1.323 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1=O 1856348765 IDAVIYQPZPDYCI-GOSISDBHSA-N 418.444 1.790 30 10 HDEE COc1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)ccn1 1856381893 WJXVHDJJDLLSJK-AWEZNQCLSA-N 407.430 1.109 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C)CCC#N)CC2=O)cc1 1856408557 SJDHHVFUQJAFJG-MRXNPFEDSA-N 405.520 1.774 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1856684470 FZSWSLCWIPYLOD-MAUKXSAKSA-N 418.519 1.873 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n(C(C)C)n1 1857102428 WYXBTLOEIZYQEJ-QGZVFWFLSA-N 408.462 1.543 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3c(ccn3C)c2)C1)[C@H]1CCN(C)C1=O 1857263732 ISAHWWDWNUXVAU-UZLBHIALSA-N 408.502 1.886 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1=O 1857437860 KWDVSILGIWTQCQ-HNNXBMFYSA-N 422.503 1.810 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)s1 1857506210 NHIBSBKYKMNAOW-SCLBCKFNSA-N 409.467 1.961 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858394330 UKZBTWBDSYFUMZ-HIFRSBDPSA-N 408.380 1.899 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977681 QHCKSBUCQFRACW-UHFFFAOYSA-N 412.471 1.705 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 1862558618 VZQJZOCOZJZETG-GOSISDBHSA-N 424.413 1.891 30 10 HDEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870560746 JZLOTBVPIBNDIC-UHFFFAOYSA-N 423.513 1.809 30 10 HDEE Cn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)c(CNC(=O)OC(C)(C)C)n1 1880980311 PKCUJPTUYOOOBT-UHFFFAOYSA-N 400.391 1.813 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1885430124 XVGABSDZYXBVEM-QGZVFWFLSA-N 408.520 1.976 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CCCN2S(C)(=O)=O)c1 1890713495 HJYYCFZFVCUICA-LJQANCHMSA-N 407.536 1.455 30 10 HDEE COc1[nH]c(=N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 1901384416 JFBBUOICBAWGGX-ZIAGYGMSSA-N 405.304 1.889 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](N=c2[nH]c(Cl)c(C#N)s2)[C@@H](S(C)(=O)=O)C1 2072516896 GYEWNCJCAXNRKR-WPRPVWTQSA-N 406.917 1.534 30 10 HDEE CC(F)(F)[C@@H]1C[C@@H]1CS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2166416320 FEUGWZHFDZEGSV-RKDXNWHRSA-N 409.289 1.292 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CC(C#N)C1)C(F)(F)C(F)(F)F 2174779018 DSNBMIPMQPLRDS-SECBINFHSA-N 422.376 1.367 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)N2CCC(C#N)CC2)CC1 2174780050 PQHVCXVJKCPAQH-UHFFFAOYSA-N 420.557 1.622 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2174787471 ULYNYRNZOMIGMC-GFCCVEGCSA-N 414.450 1.760 30 10 HDEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NC(=O)C2(C#N)CCOCC2)CC1 2174818325 YLPIJAUHKODXEX-MHZLTWQESA-N 400.501 1.399 30 10 HDEE C[C@H](NC(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2203127013 VSTOKVKKVAVJCF-LLVKDONJSA-N 402.347 1.579 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C[C@H]3CCCO3)n2)OC1(C)C 2241207165 LDRHHROJLMWYQF-LLVKDONJSA-N 402.709 1.955 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2243387229 PXKVZCJIKZTVJQ-UHFFFAOYSA-N 415.324 1.831 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2243390255 RLWVNCPUGNVLDL-UHFFFAOYSA-N 415.324 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2247803096 AZUPKUAJZGKTNY-VFNWGFHPSA-N 420.315 1.906 30 10 HDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)C1(B2OC(C)(C)C(C)(C)O2)CC1 2247838417 HPAIGKKELYDKIO-UHFFFAOYSA-N 421.307 1.827 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2247857352 GJQYLTUFHCCZTC-CQSZACIVSA-N 419.287 1.662 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247911059 RXWPFOLKFMYYFE-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247928948 IGOXIXVPPRODCX-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE CO[C@H]1[C@@H](C(=O)NCCC#CBr)N(C(=O)OC(C)(C)C)C[C@H]1OC 2250008732 PJLQDWHQQMWMIO-FRRDWIJNSA-N 405.289 1.498 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2nccn2Cc2ccccc2)n1 2255822796 PTNRPUWKQIYRPI-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE C#Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258181966 VODJQKSGFRMQEX-KRWDZBQOSA-N 402.428 1.789 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C#N 2258198681 FRNRTODIVVZQFU-BDJLRTHQSA-N 415.393 1.574 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269036742 FRHGWIZULRXAOR-SECBINFHSA-N 407.344 1.142 30 10 HDEE C[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C1CS(=O)(=O)C1 2281933206 WGVIWEBMCJOEEA-VIFPVBQESA-N 419.761 1.864 30 10 HDEE Cc1cc(C(=O)NCCS(=O)(=O)C(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2282009027 MDQPHQROXUREDK-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE CC[C@@H](C)[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415170 CWIFPBHXRZJADL-VXGBXAGGSA-N 404.363 1.269 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@H](C)[S@@](C)=O 2282507353 GKYIUIYJVPPSQE-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE CO[C@H]1C[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282512669 UZQRPSZPUZLICV-TXEJJXNPSA-N 402.347 1.287 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282521268 YCENSSPPNAOTQS-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOC[C@@H]1CF 2282828719 UDJLCVHXSULOGR-LBPRGKRZSA-N 405.322 1.715 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2282854876 WZPQHFWIEYWOKY-LDYMZIIASA-N 415.264 1.637 30 10 HDEE COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866133 DTZICGDLOSBDNI-UHFFFAOYSA-N 403.693 1.433 30 10 HDEE C[C@@H](CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2283121101 WGMJLXAWTHOBFY-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCOC3=O)ccc2Cl)OC1(C)C 2284248379 QCBKHVYQCGHZFU-CYBMUJFWSA-N 401.677 1.233 30 10 HDEE CC[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284414610 ITHDWGILFPOSHK-NSHDSACASA-N 403.331 1.839 30 10 HDEE N#Cc1c[nH]ccc1=NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338907134 WAQPKNASALXGTL-UHFFFAOYSA-N 412.471 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]1C(C)(C)C 2365198377 FPVPOYKGRHMOBM-PJIJBLCYSA-N 402.557 1.537 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2365201701 KGRNTHTWOIOGMV-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC[C@H](NC(=O)OC(C)(C)C)C1 2365207209 MDCODTUHYAWOGP-QMTMVMCOSA-N 402.557 1.599 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367785473 DTBQLWMTFKBXTN-JKSUJKDBSA-N 401.525 1.590 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788779 QJLUAXREXMNDST-KGLIPLIRSA-N 403.497 1.730 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797174 UEIFXBJLWFNDGR-UGSOOPFHSA-N 401.481 1.436 30 10 HDEE C#CCOCCCCCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2370326269 RTRQIQYPBJHDIL-SFHVURJKSA-N 402.513 1.005 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)CC1=O 15078440 BACLJDWOOGTZDM-GOSISDBHSA-N 404.555 1.249 30 10 HDEE C[C@@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 21745238 NVMXILJDHZORRX-SECBINFHSA-N 404.448 1.309 30 10 HDEE C=CCN(Cc1cccs1)C(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C 27061767 DQFDSPXSXAQKEJ-UHFFFAOYSA-N 401.492 1.490 30 10 HDEE N#Cc1c(F)cccc1N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 51180203 IGJLOQKRJOUILO-UHFFFAOYSA-N 407.493 1.998 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)CC1 53309292 VUCZCIAYXQYPKB-FQEVSTJZSA-N 400.523 1.196 30 10 HDEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1 59310841 NDVDKKIGXQVGSN-UFWORHAWSA-N 400.468 1.401 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)cc1C 90743826 STPODGXJRMFABX-GOSISDBHSA-N 419.481 1.954 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)/C1=C(/O)c1ccc(F)cc1 102696737 QMSVAIGRYCDVIZ-LAFOYAEKSA-N 411.433 1.975 30 10 HDEE CCCCN1C(=O)C(=NNC(=S)NCCCN2CCOCC2)c2ccccc21 254432976 XJCBWGGRZQBMOE-UHFFFAOYSA-N 403.552 1.724 30 10 HDEE S=C(NC[C@H]1CCCO1)NN=C1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 263632370 GYZRKHBILYGCGK-GSVIPDFHSA-N 413.591 1.476 30 10 HDEE N#Cc1ccc(N2CC[C@](O)(C(F)(F)F)C2)nc1N1CC[C@@](O)(C(F)(F)F)C1 302873137 CUKWMASYRKEAHI-KGLIPLIRSA-N 410.318 1.960 30 10 HDEE CN1CCC[C@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H]1c1cccs1 444666675 RJRJBVYHUXPCMG-PBHICJAKSA-N 400.508 1.996 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(c3ncc(C(=O)OCC)s3)CC2)CC1 465863916 RTHNVTXXZYENTC-UHFFFAOYSA-N 407.540 1.802 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)c1C#N 472076498 CUYBKISZCXNMJU-SFHVURJKSA-N 422.493 1.022 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3Cl)CC2)c1C#N 472675330 SKRKHCUHMDVFFC-UHFFFAOYSA-N 411.857 1.192 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)C2 481247353 VQPRIZUDOLLSBQ-BLLLJJGKSA-N 418.393 1.777 30 10 HDEE COc1cc(C)cnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 486022747 HJPYHGOTAHEEQA-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)C1 488831818 WMRYAFMYQINAEP-ZDUSSCGKSA-N 411.455 1.120 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)cc1C#N 489259139 UWMKRGIWIRKKJR-CQSZACIVSA-N 409.265 1.529 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 505187379 LFQBJNUUBKFUJV-IAGOWNOFSA-N 418.519 1.119 30 10 HDEE Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508160142 NTODWLLJAYJONH-OAHLLOKOSA-N 401.492 1.637 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC=C)CC1 508498678 UNGIQPRCVPZSTJ-UHFFFAOYSA-N 419.533 1.891 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCN(c3ccccc3F)C2=O)CC1 512473989 HOVIJVLZQIEKDP-VQTJNVASSA-N 415.513 1.555 30 10 HDEE Cc1ccc(C(=O)N2CCOc3cccc(F)c3C2)cc1S(=O)(=O)NCC#N 513916242 FBZGSKJJTSLDAA-UHFFFAOYSA-N 403.435 1.971 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CC1 524494171 WYXGBQGTTQLHPZ-UHFFFAOYSA-N 411.510 1.014 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1n[nH]c2nc(=O)c(C)nn12 524517388 CQHPOKGKHNMWBW-GFCCVEGCSA-N 413.463 1.557 30 10 HDEE Cn1c(CS(=O)(=O)CC(=O)NCc2cccc(C#N)c2)nnc1-c1ccccc1 539105112 QUOZBLXZZHFLRZ-UHFFFAOYSA-N 409.471 1.585 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)O 541004298 VPLDOPVGTHNMAH-MRVPVSSYSA-N 402.226 1.176 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 546169996 YAJZXNYJXCBPLU-BTYIYWSLSA-N 410.478 1.103 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@H](CC)C1 549247788 CONIQJMMZSVIBC-HZPDHXFCSA-N 414.576 1.011 30 10 HDEE CN1C(=O)N(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C(=O)C12CCCCC2 552902911 SONOWPMBDZDVIV-INIZCTEOSA-N 411.462 1.530 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCCO2)cn1 555400283 ZDMYWDPCACHJPY-GOSISDBHSA-N 419.493 1.451 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 558677531 LSBPMSPGZRRQQO-ZFWWWQNUSA-N 424.527 1.475 30 10 HDEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c2ccccc2c1=O 585171087 ZMLXOSMYXIESAH-OAHLLOKOSA-N 418.428 1.838 30 10 HDEE COc1ccc(OC)c(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 585226868 CUSXOMBHYXNKID-UHFFFAOYSA-N 424.461 1.337 30 10 HDEE COCCCNC(=O)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673530 GRRFWDCKBWZNLK-NTRMZYSWSA-N 422.441 1.787 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)NC[C@H]3CCCO3)c2C#N)C1 586299289 LHQVZGTWRWRGLO-ZUKSIGSZSA-N 423.560 1.727 30 10 HDEE Cc1nsc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)c1C#N 589480314 PADYPASTPFXDCD-UHFFFAOYSA-N 408.487 1.461 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 603739697 MOKZQMXTGMKLMD-ROUUACIJSA-N 408.545 1.986 30 10 HDEE COc1ccc(CN2CCN([C@H](C)C(=O)N(C)CCC#N)CC2)c(OC)c1OC 610204687 UKVRWQMOIBVOTM-MRXNPFEDSA-N 404.511 1.591 30 10 HDEE N#Cc1cc(CN2C(=O)N[C@@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)ccn1 610955288 HYQBLVLOLAXQSV-GOSISDBHSA-N 400.391 1.217 30 10 HDEE C=CCNC(=O)CN1CCN(c2cnn(-c3ccc(F)cc3F)c(=O)c2Cl)CC1 613388339 QYTBLLLYTAEVDK-UHFFFAOYSA-N 423.851 1.588 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 729334244 KTIOLHRTKMUDMR-ICSRJNTNSA-N 416.543 1.805 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CC1 732647723 KTEZJDNWQDYQOZ-ZIAGYGMSSA-N 403.464 1.460 30 10 HDEE N#C[C@@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CCN1C1CC1 732650708 CITXQVFMTVAGCM-CQSZACIVSA-N 423.286 1.907 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CCN1C1CC1 732681713 INPIEGJRWCODLT-QGZVFWFLSA-N 414.487 1.570 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2n[nH]c3ccc(Br)cc23)CC1 733149434 GXSIKNQIEGHKQK-UHFFFAOYSA-N 418.295 1.223 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)cc1 734556150 LFPGFWKQNVVUBK-SFHVURJKSA-N 401.444 1.305 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(C#N)cc1 740200220 GLIXXRILWQSVBU-GOSISDBHSA-N 414.439 1.951 30 10 HDEE Cc1cc(C)c2c(c1)C(=NOCC(=O)NC[C@H]1CN(CC(C)C)CCO1)C(=O)N2 749787796 ZPATXAOZHCBPPV-INIZCTEOSA-N 402.495 1.449 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(OCCCO)CC3)ccc2c1=O 758345825 DZPJFGLIMZHXIL-UHFFFAOYSA-N 403.504 1.875 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)COc3ccccc32)CCCCC1 760405076 DYCLZLOIZJNDMW-UHFFFAOYSA-N 405.476 1.722 30 10 HDEE N#CC1(c2ccc(COC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2)CC1 777144688 YXNDIYNQVRZQJP-INIZCTEOSA-N 415.471 1.450 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 780848575 PJPQMRSTOBJLPY-SFHVURJKSA-N 419.890 1.778 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N(Cc1ccccc1)C[C@@H](O)C(F)(F)F 781370811 HPHBANIUHXQVBP-ZDBRSUKYSA-N 411.380 1.855 30 10 HDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 782078804 QEECPMYFMNWOOT-FQEVSTJZSA-N 410.522 1.555 30 10 HDEE COC[C@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 787884160 QMCOYKUOAKOGFU-BBRMVZONSA-N 420.897 1.891 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)oc2CC)n1 788694802 WGXLGKUOQSCNRR-UHFFFAOYSA-N 409.464 1.296 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(NC(=O)C(C)C)n2)n1 788816071 YQYWBEDGLFGBKC-UHFFFAOYSA-N 403.508 1.785 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1 788858156 ZXHUCHWGOBHAEQ-HNNXBMFYSA-N 419.507 1.083 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C/c2cocn2)C(=O)/C(=C\c2cocn2)C1 790216286 QNVYLNMFQWLCQP-JJNPTMGBSA-N 415.431 1.743 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NCc1ccc(C#N)cc1F 804158647 AMDLVIAAWCHTEY-ZDUSSCGKSA-N 404.442 1.781 30 10 HDEE Cn1cc(/C=C\C(=O)OCc2ccc(Br)cc2C#N)c(=O)n(C)c1=O 805384790 KFFAEPVZTIATEO-XQRVVYSFSA-N 404.220 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 810382560 QGGZFMCPYUXQLH-JPQYHBGPSA-N 406.361 1.085 30 10 HDEE N#CCCOCCOC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 815248198 SJDDYJHQSBNBOA-YRYYUTHUSA-N 420.465 1.939 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)c3cccc(C#N)c3)c(=O)[nH]c21 916809616 IOVOCKMUEGFMBC-VOTSOKGWSA-N 411.443 1.695 30 10 HDEE COc1cc(C=NNc2nc(SCCN3CCOCC3)n[nH]2)c([N+](=O)[O-])cc1O 1084243925 VXBLCKXOPJNCGF-UHFFFAOYSA-N 423.455 1.297 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1133373079 YQKALUQLXUDJGD-BBRMVZONSA-N 402.451 1.881 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 1141459164 HRBARAJNJJPWRC-GFCCVEGCSA-N 419.409 1.797 30 10 HDEE C#C[C@@H](CO)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1141495360 BWVJKSABZQYDLN-VIFPVBQESA-N 403.158 1.773 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@H](CNS(=O)(=O)c3ccc(C)cc3)C2)nn1 1143177485 SDQBGVMFUKTTIT-MRXNPFEDSA-N 403.508 1.603 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1149650422 HEUPIMTUSFQMAW-ZDUSSCGKSA-N 402.480 1.116 30 10 HDEE N#CCn1c(C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc2ccccc21 1155822849 BFOGEHAPLLJSHY-UHFFFAOYSA-N 405.336 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OC(=O)N(C)C)C2)s1 1158950743 OAIOUAQSLFQMPR-LBPRGKRZSA-N 401.510 1.054 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1164670927 AUVUZASFLGWDJH-AVRDEDQJSA-N 419.481 1.390 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2NC(=O)C[C@]23CCCC[C@@H]3C)s1 1166643816 LOBUBCYKNLLEOK-UGSOOPFHSA-N 411.549 1.967 30 10 HDEE C#CC1(O)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1167535660 POTXWUOSPLNENT-UHFFFAOYSA-N 404.532 1.611 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1171104810 ZHXORDVADCDQPH-HNNXBMFYSA-N 419.482 1.507 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2csc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1179733949 NLRIVJFCPRITOP-KGLIPLIRSA-N 411.505 1.478 30 10 HDEE CCC1(CC)NC(=O)N(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1184272299 FKNIHCSAHLVMFB-UHFFFAOYSA-N 416.434 1.001 30 10 HDEE N#Cc1cc2c(n(CC(=O)NC[C@H]3CCCO3)c1=O)CCN(Cc1ccccc1)C2 1189779486 FQYFRIJTMTUJHD-HXUWFJFHSA-N 406.486 1.573 30 10 HDEE C#C[C@H](NC(=O)NC[C@]12COCCN1C(=O)OC2)c1ccc(Br)cc1 1230499620 ZSWDGXXYONDWSY-WMLDXEAASA-N 408.252 1.644 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1235128201 OSHGEKQGDCWNPF-SJLPKXTDSA-N 414.462 1.496 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCCC3=O)cc1 1264645948 YCVYSGBHRFMKPQ-RELWKKBWSA-N 415.475 1.925 30 10 HDEE N#C[C@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccccc1Br 1280361913 GPWNFXOPLLVCQF-AWEZNQCLSA-N 421.276 1.628 30 10 HDEE C#CCCN(CCOC)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1280419817 BYTSOZAZYMSQJJ-INIZCTEOSA-N 423.491 1.494 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)[C@H](C)CC)CC1 1286471621 OXYFOOBFOFHOFY-MSOLQXFVSA-N 402.543 1.330 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286627190 AQXGJOWIEINDDO-GOEBONIOSA-N 408.934 1.671 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286700534 IZQJIPWFDYOGSY-INIZCTEOSA-N 424.509 1.016 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1286715651 OTTCOMPNKNCEJQ-UHFFFAOYSA-N 418.523 1.905 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1286767925 KRKMKPSGJPMCPN-LAUBAEHRSA-N 417.510 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1cccc(C)c1 1286786345 CBGYMFABMCAWST-UHFFFAOYSA-N 407.478 1.861 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1286792691 FMEFPFBQLDOGEO-MRXNPFEDSA-N 412.519 1.910 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N(C)CCC(=O)NC 1286796838 XBMFBVIIDWTJCI-UHFFFAOYSA-N 407.478 1.921 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H](C)NC(=O)OC(C)(C)C 1289205165 NMTMUTNUDNXUTQ-XLPNERPQSA-N 413.540 1.569 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1294249774 NEKLYZZAWQQNMW-AWEZNQCLSA-N 414.365 1.931 30 10 HDEE CN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@@H]1CCSC1 1298158782 BQNYHKRGSFATCN-CHWSQXEVSA-N 407.521 1.635 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1298659818 BTLPKYLRVBOGOM-IBGZPJMESA-N 421.476 1.832 30 10 HDEE COC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1299403604 TXALMGPFXWUDEG-UHFFFAOYSA-N 411.462 1.643 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1300271470 HNTSLTGKRGMNOK-SOUVJXGZSA-N 403.508 1.522 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 1300396141 KTRJSFLCFJBRFH-UHFFFAOYSA-N 400.884 1.422 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1300431292 WLVOQVZWHCTOEZ-OAHLLOKOSA-N 415.469 1.909 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1300441476 PKKKLZHYVUNBRO-LJQANCHMSA-N 404.492 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1300531723 GMBQWXPLMYJJPA-HNNXBMFYSA-N 421.448 1.133 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nccn2C(F)F)CC1 1300683187 MUFIOAIELVLFBG-HNNXBMFYSA-N 423.468 1.397 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2COCCO2)C1 1301566897 SZFVFNIRVUZUKC-MSOLQXFVSA-N 402.499 1.336 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(N)=O)C1 1301588013 ZVNBGLYUCWQDBO-HNNXBMFYSA-N 423.564 1.233 30 10 HDEE CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301929862 OQYDCVKKGHFGED-SFHVURJKSA-N 413.551 1.633 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CCC1OCCO1)C(=O)OC 1302819972 YVVZPXDLMJRCBR-MRXNPFEDSA-N 415.446 1.862 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cc1 1309481538 QXFGSIJJAQYHIF-GOSISDBHSA-N 419.547 1.984 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1316536200 DMFHGMALUFENQC-QGZVFWFLSA-N 414.535 1.948 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1339064385 CLPQZINLRMVZBJ-HVCBDAARSA-N 420.491 1.031 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 1352904947 MDQZSVDFUQKFKL-WMZOPIPTSA-N 408.495 1.418 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2nnn(C(C)(C)C)n2)c1 1355669722 VILPQBCHQPWJBT-STZFKDTASA-N 405.484 1.493 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1358919126 SEKRVKYBGFOLHY-HDICACEKSA-N 402.543 1.473 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1358924261 QSCUDGMOCKKEJC-GOSISDBHSA-N 419.493 1.439 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358960468 FOPCWNIXPHVQEE-HNNXBMFYSA-N 400.508 1.552 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358964141 UOMZRPITBXXWHW-IAGOWNOFSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCn1cc(CO)nn1 1358990035 YCSQQYNADRDZEF-UHFFFAOYSA-N 419.489 1.591 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359034250 JKMVMVMOZVEMLH-LJQANCHMSA-N 408.554 1.611 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1359120471 ABJLXPWRQBJJTA-UHFFFAOYSA-N 407.482 1.745 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1359126005 BGVQZCIIELJWLI-UHFFFAOYSA-N 413.526 1.731 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359283010 DSOQXTOKDRTRMV-NVXWUHKLSA-N 413.478 1.693 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1359298721 JZKXPPNTLKPKJF-HXUWFJFHSA-N 422.424 1.338 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1440680660 IZAWZOOKXTVONP-GOSISDBHSA-N 404.430 1.289 30 10 HDEE CC(C)OCCOC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1451323634 GXJHMZXWOBFERT-MRXNPFEDSA-N 423.535 1.658 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(C(=O)OC)c2)s1 1454215663 NBWAWBSVWHYRPN-UHFFFAOYSA-N 409.489 1.253 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1456083756 ITCDEUVYKVMEJA-HOCLYGCPSA-N 421.906 1.766 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C 1459212516 SZULNGKMBKTREE-VLIAUNLRSA-N 404.467 1.143 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1461785850 ZVBSXTHAHNJEDB-UHFFFAOYSA-N 422.547 1.984 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CC1 1462563922 FQTSMYDBTLTEKE-WGSAOQKQSA-N 403.548 1.755 30 10 HDEE CN(CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O 1463148383 GSOTWFQPEIFJDN-KNVOCYPGSA-N 418.306 1.507 30 10 HDEE COC(=O)C[C@@]1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCCOC1 1463558034 HJBAARVRKVFEAN-HNNXBMFYSA-N 417.281 1.711 30 10 HDEE N#Cc1cn(CCC(=O)NCCCCc2nc(-c3ccccn3)cs2)c(=O)nc1O 1469547500 XQQSBXWCXHYLCS-UHFFFAOYSA-N 424.486 1.868 30 10 HDEE C#CCN1CCC(C(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)CC1 1469860731 AARRACOZWXBDLN-GOSISDBHSA-N 417.550 1.513 30 10 HDEE N#Cc1ncn(CCNC(=O)NCC2(c3ccccc3)CC(O)(C(F)(F)F)C2)n1 1470104559 SSFHDGYYUHQEBT-UHFFFAOYSA-N 408.384 1.474 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 1470583511 BTJWWVLPFLENEH-OAHLLOKOSA-N 422.486 1.256 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(F)cc1 1470658025 TVUXOIBIENZHRA-ZWKOTPCHSA-N 410.515 1.754 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1cccnc1 1471984168 QKISUHWLEQDPRD-WMQCIHAUSA-N 420.473 1.350 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOc4c3ccc(F)c4F)CC2)o1 1473555684 GGVHURMXPKHMTN-UHFFFAOYSA-N 403.389 1.681 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1473789005 YBMOXPGYHWIOCT-INIZCTEOSA-N 415.538 1.952 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccncc2)n1CCCn1cnnn1 1503476277 HTSJHXSFVGODPO-UHFFFAOYSA-N 414.477 1.849 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1504572242 LKYOEJDYUBGQAT-ZHRRBRCNSA-N 424.505 1.728 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1505322954 CNDZBCOKYLDOMW-CVEARBPZSA-N 421.548 1.626 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1nncn1C 1507572366 HPPLTRRSPYSTGI-OAHLLOKOSA-N 405.466 1.809 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1507619063 GEBVXUTUBIHYHP-AWEZNQCLSA-N 400.414 1.054 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCCC 1507620832 MALSLCRCKRQOPC-UHFFFAOYSA-N 423.565 1.238 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507638386 QGKUDZLNUQNXBB-JKSUJKDBSA-N 410.540 1.429 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OC)cc2OC)CC1 1507735466 ALWUFXFLFWFCRZ-UHFFFAOYSA-N 411.506 1.812 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCn3ccnc3C2)CC1 1507742782 PYPZGQHIMZCLTE-SFHVURJKSA-N 423.565 1.902 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507830208 XCGOQGNQQMKDRV-JYJNAYRXSA-N 404.515 1.173 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507956911 IHYMIBGEWUBEJC-IRXDYDNUSA-N 416.526 1.354 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1507958788 ICITUNOFNFOXIS-UHFFFAOYSA-N 409.512 1.521 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1Cc1nnn(C)n1 1508000283 VZQACVRPTOOBOR-GOSISDBHSA-N 419.493 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508091929 XDDASZQELYTJQI-SJORKVTESA-N 418.542 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](OC)C1 1508148137 GJTCMQLQLZKUJG-GOSISDBHSA-N 420.535 1.991 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1508148368 SGAVMAMZENUQHQ-QGZVFWFLSA-N 422.599 1.590 30 10 HDEE CCC(O)(CC)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513528784 ZRUWYTIIOIHSKD-CQSZACIVSA-N 412.494 1.868 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1cnn(C)c1C 1513922588 CCJOGCQVHRGFPT-CQSZACIVSA-N 406.498 1.308 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccnc2)nnc1N1CCC(CO)CC1 1521423038 HOOQLRPYSVHZGZ-CZIZESTLSA-N 423.477 1.075 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1526525597 BSSDOTSLSYLNEH-HOTGVXAUSA-N 422.503 1.871 30 10 HDEE CN(C)CCOc1ccc(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1532114530 TVGRILNDJFVRGW-UHFFFAOYSA-N 412.494 1.630 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2nc(C#N)cs2)C1=O 1538522229 KWSZJWPFMXAKEG-IBGZPJMESA-N 413.459 1.415 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1538994113 ZKADVADAINNRKT-CQSZACIVSA-N 404.492 1.609 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539127392 JIOSUCOYSSGIDX-ZBFHGGJFSA-N 400.508 1.982 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCS1 1539396598 PSFHZIYZQXJGGD-RHSMWYFYSA-N 415.585 1.260 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540012989 GTZVABYQXWPWKQ-QZTJIDSGSA-N 402.543 1.524 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540872470 QFMPTYIJHCMIOS-WBVHZDCISA-N 412.469 1.025 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1540907601 CCSZMTDYDMVACJ-UHFFFAOYSA-N 408.572 1.640 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540914549 APLRDCGNQNIKAN-ZBFHGGJFSA-N 401.540 1.876 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1 1542111741 SQJWBTDYXRURGP-SFHVURJKSA-N 414.506 1.616 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@@H](C(F)(F)F)C2)s1 1544629834 CJRNBASSMBWPKM-CMPLNLGQSA-N 412.455 1.933 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1545689630 GJMYBKXXWYVYPL-YOEHRIQHSA-N 409.494 1.433 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1545832080 GCBQWBSRGYHECG-CQSZACIVSA-N 424.571 1.760 30 10 HDEE CCCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1547258813 DVRDMOYIWXGOOB-MRXNPFEDSA-N 407.478 1.605 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ncn(C)n2)CCOC1 1547864477 IBJQKVUQCRHAMS-OAQYLSRUSA-N 422.493 1.615 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1554490904 MUMQUHQTFCTPSH-LJQANCHMSA-N 423.521 1.854 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1 1554493361 AOJOVOTZTUERSV-SFHVURJKSA-N 407.478 1.971 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1555558451 URSMOXKUJCQKOQ-FOIQADDNSA-N 402.499 1.159 30 10 HDEE C=CCOC[C@@H](NC(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)C(=O)OC 1556375473 KDPZPEHFACIALJ-OAHLLOKOSA-N 404.467 1.387 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@@](C)(C(F)F)C1 1557564062 ICOOJZKIXIUHMB-BWACUDIHSA-N 401.435 1.496 30 10 HDEE Cc1nc(SCC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c(C#N)c(C)c1C 1558047010 DSMGIOXCHIQXCR-OAHLLOKOSA-N 402.520 1.460 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)c1 1558050120 NVFSGWDFCUHFJM-MOPGFXCFSA-N 407.536 1.259 30 10 HDEE N#CCCn1cc(C(=O)N2CC(N[C@@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1558549789 SNHNPPWIZTUPMP-OAHLLOKOSA-N 410.434 1.575 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)n1 1562612959 BMIRXJMVIWLDGD-AWEZNQCLSA-N 410.413 1.836 30 10 HDEE N#CCCN1CCN(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 1564413494 AJJOQZVTFHDMJD-UHFFFAOYSA-N 404.946 1.703 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1565156133 CDYCNKMSCKSHCM-OAHLLOKOSA-N 419.478 1.218 30 10 HDEE C=CCOc1ccccc1CNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC 1565767575 NVESFHXBQGRIPW-UHFFFAOYSA-N 406.460 1.846 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)C2)c1 1586074270 MZTDJVUHJIEJCI-UHFFFAOYSA-N 404.879 1.813 30 10 HDEE C#CCN(CC(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1)C(=O)OC(C)(C)C 1586242465 RBRUJFDKCQSPHQ-UHFFFAOYSA-N 423.482 1.237 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)CC2)c1 1586325944 HOQOXDPVRZWROS-UHFFFAOYSA-N 423.517 1.894 30 10 HDEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cnn1-c1ccc(F)cc1 1586592252 KPCGPZBHZZQQSW-UHFFFAOYSA-N 413.434 1.997 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccco1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588034458 GITCPUNLQQTRKB-MSOLQXFVSA-N 419.551 1.889 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nccc(C(F)F)n1 1588089730 OHRGSLKEVLNCCD-FQEVSTJZSA-N 416.432 1.779 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC=C 1588241569 RHOFEQZFRDJZIK-UHFFFAOYSA-N 401.474 1.282 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@@H]1OC 1589143136 ZAXJPPURRIRSSG-HYFFOGBASA-N 424.505 1.969 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1593741615 SZAUNJWIKVDTPP-SJORKVTESA-N 418.542 1.515 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595517259 VHWYXWRYOMERJD-LJQANCHMSA-N 416.489 1.296 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCc1ccc(C)c(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1597463293 GOAYLOVWAMKRBW-OAQYLSRUSA-N 413.499 1.938 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1610993802 DOXLKPRVNQYJEO-UHFFFAOYSA-N 404.442 1.328 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1613005696 YCNOSXDXDYTOFN-STGLLQLASA-N 409.450 1.092 30 10 HDEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1618279324 ZLHSHKDWWBIJEH-ZIAGYGMSSA-N 402.421 1.395 30 10 HDEE C=CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1624936463 SVQMHQDODSGXQX-KRWDZBQOSA-N 410.492 1.070 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(N)(=O)=O)cc(F)c2C)c1 1625080778 CSZJGSRPIPSDSC-UHFFFAOYSA-N 403.435 1.474 30 10 HDEE CN(CCOCCO)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1626161307 YAIJANWNJZWLHC-SFHVURJKSA-N 403.479 1.860 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)CN2CCCCC2)C1 1626903616 HSCDJIKSDZQPPP-KRWDZBQOSA-N 421.339 1.720 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1 1629069105 PAIYQAIURXILJX-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1629537327 WIMPPWMLYGLBMM-QZTJIDSGSA-N 419.547 1.266 30 10 HDEE C#C[C@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1629889152 MCDKJXKFXBEECE-ROUUACIJSA-N 417.531 1.684 30 10 HDEE N#Cc1cn(CC(=O)NC2(c3ccccc3Br)CCC2)c(=O)nc1O 1631938388 BCAMFIOPOHVPMN-UHFFFAOYSA-N 403.236 1.779 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2[S@@](=O)C(F)(F)F)CC1 1632623699 HYTPVIFZWGYDIV-MUUNZHRXSA-N 415.437 1.211 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@](O)(CN(C)C)C2)nnc1-c1ccco1 1636278994 SMGRIHIPWMJBFJ-IBGZPJMESA-N 405.524 1.731 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1636988584 XHFUJQOEJJPHCQ-UHFFFAOYSA-N 403.451 1.573 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1cc(C#N)ccc1F)CCS2(=O)=O 1638438476 YWQRQKNDAKCJOZ-HVEKOLDVSA-N 423.466 1.396 30 10 HDEE Cc1ccc(C[C@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C 1638511984 WJKXHMULQTVXPT-LJQANCHMSA-N 415.515 1.829 30 10 HDEE C#CC[C@@]1(C(=O)NCc2nc(C(=O)OCC)n[nH]2)CCCN1C(=O)OC(C)(C)C 1638577738 ITNKAMYPHIRSCV-IBGZPJMESA-N 405.455 1.391 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1638848343 NCYLLCRVIOQWQZ-LLVKDONJSA-N 410.801 1.498 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1638916807 MPLHDCDHXXSQQX-IBGZPJMESA-N 403.527 1.736 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1CCOCC1 1640925783 QTVSEGNIVLIFFR-RYQLBKOJSA-N 407.555 1.757 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)COCCO4)CC2=O)cc1Cl 1643504038 RTHCWKCMKPQOMK-HNNXBMFYSA-N 403.866 1.973 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645267960 UYCOLUIIQFGXQJ-MDOVXXIYSA-N 423.535 1.420 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCO[C@@](C)(C#N)C1 1647990584 DFSATMGSJDCRON-AEFFLSMTSA-N 411.549 1.536 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c(Cl)nc4cc(Cl)ccn34)C2)c(=O)nc1O 1648790663 PQWDXWGVOARNFZ-UHFFFAOYSA-N 405.201 1.472 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1650618202 DDEWDQLDKVGRHM-UHFFFAOYSA-N 420.535 1.063 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccnc(OCC3CC3)c2)c1 1650783277 GBERNCLHDCGJNA-UHFFFAOYSA-N 400.460 1.337 30 10 HDEE C[C@H](CO)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1654980963 FDYODRYADMPBMZ-UTKZUKDTSA-N 402.514 1.875 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)o1 1655097219 HJPLQTUPHRYFHV-ZWKOTPCHSA-N 411.510 1.238 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 1655595272 DXMPRCGUHCHMJP-LJQANCHMSA-N 400.504 1.592 30 10 HDEE C#CC1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1659142251 FYLTUIRSWIXRGZ-SFHVURJKSA-N 403.548 1.562 30 10 HDEE CC(F)(F)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1660342333 FCHRWOWTLVGDSE-MRXNPFEDSA-N 411.522 1.730 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CCO1 1661359660 AYRFMVZZPSNION-SQNIBIBYSA-N 407.492 1.636 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)C1 1664135093 JAFDVGJWFRURJI-UXHICEINSA-N 419.547 1.805 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 1665431890 QSLSPUBYHOTNEX-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)nn1 1670689338 RIRHIOFEJUGKNZ-UHFFFAOYSA-N 422.287 1.780 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 1672443770 WRQPFXMZMDIYGC-WMZOPIPTSA-N 408.499 1.257 30 10 HDEE CCO[C@@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CN(C)C 1675906187 NCHLIKYQRXMLET-HNNXBMFYSA-N 416.482 1.605 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1677401503 FAHSLDAOYXUSGV-CVEARBPZSA-N 401.463 1.872 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CCN2Cc2ccc(OC)cc2)CC1 1682849783 WCQNYTGMNOMDPJ-KRWDZBQOSA-N 400.479 1.758 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)C1 1685267269 VDMFLBHHGQXXDU-LJQANCHMSA-N 407.518 1.662 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 1686054727 CHXIMIHSKOXPNS-LSDHHAIUSA-N 424.498 1.093 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1689826030 HATPVPARUMEKQW-OLZOCXBDSA-N 410.569 1.974 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCOC(C)(C)C)CC1 1690113388 IDYNUEQWIZGJRD-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCc2noc(CC)n2)CC1 1690137229 QYCODICUWAZDLM-HNNXBMFYSA-N 413.526 1.946 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690230937 WBFYRHCYVTUQMF-HUUCEWRRSA-N 417.311 1.887 30 10 HDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1690542264 IOFFQICWYBJCII-HTXNQAPBSA-N 408.466 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690665382 BKXFAZGHYYIVKZ-CYBMUJFWSA-N 417.901 1.353 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)C[C@H]1COc2ccccc2O1 1690669002 PVNTZGXVWOTXLW-HNNXBMFYSA-N 421.461 1.314 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CN(C)CCC)C1 1690670548 DROYABMQPRTGIG-MSOLQXFVSA-N 404.559 1.990 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690671369 UPSSOXMCTAAHTK-GJZGRUSLSA-N 420.514 1.188 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)OC)C1 1690691602 HKNPEGBKFNSGAC-YJBOKZPZSA-N 410.482 1.737 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690740523 YDBZCTAIAGBMJS-MRXNPFEDSA-N 422.580 1.777 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1692584211 URFFFYVPPNCBHD-NRFANRHFSA-N 418.542 1.831 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CCO1 1693773609 LHFVQCSQIPHFFA-OAHLLOKOSA-N 406.446 1.951 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1695424034 AQCYXPQXGHPOPC-OAQYLSRUSA-N 409.494 1.435 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1696484815 XPAKNNIAFIIEKG-HOTGVXAUSA-N 411.528 1.177 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1697879877 IACHWEFYZNIVQE-KRWDZBQOSA-N 422.493 1.871 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1697893665 KILACECNORAGPM-IPMKNSEASA-N 413.478 1.208 30 10 HDEE COCCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1697984054 XBRFHVWYSOIOEP-ZPHPHTNESA-N 413.482 1.283 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705489713 UYFYBNFSBHUPSN-UWJYYQICSA-N 419.533 1.751 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H](C)C1 1705621753 NGDXSYQZSXARIN-DLBZAZTESA-N 412.494 1.827 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCOCC1 1705626818 KADBQTOJQCNUPL-UHFFFAOYSA-N 412.494 1.017 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2ccn(C)n2)CC1 1705642681 DOKRIBBYOTZZMO-UHFFFAOYSA-N 419.533 1.957 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705653787 PYXHTIOBHOCXFO-UHFFFAOYSA-N 401.540 1.333 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CCOC 1705667556 VZGIVOVMSRUZDF-OAQYLSRUSA-N 411.510 1.496 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1705846764 RQDKFBYILOYWHV-GJZGRUSLSA-N 405.524 1.943 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)n1 1707833364 UIQWKSFJFRKQNL-QGZVFWFLSA-N 414.514 1.031 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1708248455 AUDYQJHPHPODPO-FGTMMUONSA-N 404.515 1.359 30 10 HDEE COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712395461 SUUOHMPHWOZTIX-SFHVURJKSA-N 411.510 1.802 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC(F)F)C1 1712875163 MBJOEVTTYGLROZ-KRWDZBQOSA-N 423.355 1.677 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722322541 UFJAIGXLYQRQMM-XGHQBKJUSA-N 401.511 1.700 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@@H]1C 1722389699 KVULATAXSQVWLM-IERDGZPVSA-N 409.446 1.856 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1722392445 MHYVLXWQBJVGIF-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722698977 PXKGRFVKKDUTSX-OAHLLOKOSA-N 406.531 1.884 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@@H](C)C1 1722705287 CNVAYMHZROUMGA-HOTGVXAUSA-N 415.494 1.782 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1Cc1ccc(C#N)o1 1723932084 OMJUPOZDOAEQSU-GXTWGEPZSA-N 404.496 1.638 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H](F)COC)CCOC1 1728819963 ZIXAJYHVMHNYHM-OXFYSEKESA-N 422.505 1.091 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCN(C(C)=O)C1 1730818035 HTTTYINHGGEUJR-JFIYKMOQSA-N 406.531 1.999 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCS(C)(=O)=O 1740583705 WTZSFTSOCXBZPA-UHFFFAOYSA-N 414.329 1.930 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1740591904 RFDXZSIDOYPSBM-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1740600107 IELSRGZXHSQIDO-LAUBAEHRSA-N 414.510 1.400 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740618897 CYIKDJVSDJMTOG-HKUYNNGSSA-N 414.531 1.998 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1740624977 BZGWNLMELQENOY-SJORKVTESA-N 404.492 1.788 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1740668134 DLGRIRLBEBKZPM-HXUWFJFHSA-N 422.533 1.569 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(N(C)C)cc2)CC1 1740695480 SNIFBDBSFPUBTF-UHFFFAOYSA-N 418.549 1.743 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H](C)N2CCOCC2)CC1 1740705650 KSOKPPOGRFLMQS-KRWDZBQOSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740715666 DLCTXMNWMXLUMR-GJZGRUSLSA-N 404.540 1.091 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1740817926 YPHPZCBSRKPWRX-INIZCTEOSA-N 407.540 1.638 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1740983007 ZOCVUSSKHOJMLY-KGLIPLIRSA-N 420.482 1.243 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740992324 FCHDBCHLMXLQDV-FUHWJXTLSA-N 419.551 1.726 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1741992655 CCTAZGFVLLKHCM-INIZCTEOSA-N 413.526 1.559 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCSC1 1744035920 GYPKQYLULIARTA-LJQANCHMSA-N 406.556 1.804 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCNS(C)(=O)=O 1748799550 NFQLDFRZZIVRNZ-UHFFFAOYSA-N 419.551 1.908 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1748812615 YCWJYBFKVVMGAR-OAHLLOKOSA-N 417.560 1.862 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748814949 MAAIQQGZAZZCBM-AOIWGVFYSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1748817960 UCSOTUYGWINSKC-IBGZPJMESA-N 416.547 1.644 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1748824785 SZBSXLROTHXVPQ-KRWDZBQOSA-N 406.483 1.629 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1748891694 DJBQKZABVJHTGY-ZWKOTPCHSA-N 403.552 1.127 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CC)c1 1748960885 QHZIFDFTHDRCKG-UHFFFAOYSA-N 411.466 1.357 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCSC1 1748961283 ZZKWJRSSSVJIKQ-AWEZNQCLSA-N 403.508 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCO2 1748968121 BAWMWKBTNIVICL-UHFFFAOYSA-N 411.462 1.264 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC[C@@H]2C)CC1 1749001318 PSWIPHGFRSLUQI-WMZOPIPTSA-N 414.554 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[C@@H]2C)CC1 1749001340 QFOTYJHJBCQAQX-DOTOQJQBSA-N 421.505 1.547 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 1749456591 ILNNCGYXKJEISB-GJZGRUSLSA-N 418.523 1.856 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(-n2cccn2)c1 1749488820 NBJDMIISZOJXRG-INIZCTEOSA-N 413.507 1.431 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(COCC)n1C[C@]1(O)CCS(=O)(=O)C1 1749537464 HICUEPRWJURCKO-HXUWFJFHSA-N 420.535 1.557 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749680875 UTARIBGSMSANJH-KRWDZBQOSA-N 416.530 1.242 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@]2(CCOC2)C1 1749736263 HMUNAEVVABOUQR-FQEVSTJZSA-N 417.535 1.482 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1750076135 KVINCCMAJVTRQI-OWCLPIDISA-N 417.539 1.235 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760144580 UVAHACMQXPGKGZ-GOSISDBHSA-N 416.570 1.768 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C(=O)NC 1760163019 XRCZXVULEJNWDI-KRWDZBQOSA-N 424.553 1.684 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760163540 ZYWBKAVOJMTMCC-MSOLQXFVSA-N 420.521 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760197349 UGVJTNUZNYDNAU-KRWDZBQOSA-N 406.446 1.015 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1760352725 WVVVOXXWDSSAAU-UONOGXRCSA-N 403.574 1.423 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1760447492 ORXAPUZXBUHNIZ-UHFFFAOYSA-N 424.549 1.891 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1760456150 IDQZQJHNAWWXKW-KBPBESRZSA-N 407.496 1.351 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(Cc1ccnn1C)C1CC1 1760525982 ZKDIZSSKXGSAAY-UHFFFAOYSA-N 406.494 1.469 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccccc2)C1 1760544613 CRQWIMKQTVOEGZ-KRWDZBQOSA-N 417.535 1.915 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCC2(O)CCOCC2)C1 1760546880 YGNSCVAWXPGAQA-LJQANCHMSA-N 413.522 1.977 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C(C)C)CC1 1767827403 FJZZZJVMJFMVIQ-NRFANRHFSA-N 411.510 1.685 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)C[C@H]1O 1769457442 MXXPZFUTIQOZCR-CZUORRHYSA-N 401.467 1.740 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1770746511 AVBAASJYZAMHRY-TVQRCGJNSA-N 424.358 1.563 30 10 HDEE N#CC1CCN(C2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)CC1 1849658742 WUFPVFIJCZYPGN-KRWDZBQOSA-N 408.568 1.417 30 10 HDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CC(Oc4cccnc4C#N)C3)cn2)cc1 1849875590 PEVJFYRZPDJSBW-UHFFFAOYSA-N 417.425 1.475 30 10 HDEE Cc1ccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 1851318043 XRCJSWVWTJCNNC-UHFFFAOYSA-N 404.414 1.914 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1851416131 WAULDTUIEAANMV-ZIAGYGMSSA-N 411.384 1.697 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 1852326248 SEDUJEAZELVOCV-UHFFFAOYSA-N 413.503 1.759 30 10 HDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ncccc1C#N 1852957537 WFGPSSWHVNKQAS-LBPRGKRZSA-N 405.402 1.025 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)C2c3ccccc3Oc3ccccc32)CO1 1854064523 VASHZFKQULRTOC-ZDUSSCGKSA-N 400.412 1.937 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCCc4nc(OC)ccc43)C2=O)CC1=O 1854299678 SORGDAHXDIAQBT-QAPCUYQASA-N 412.490 1.395 30 10 HDEE CC1(C)C(=O)N(C(=O)CN2CCCCC2)CCN1S(=O)(=O)c1ccccc1C#N 1854467292 BTOJXMHZCWAXFN-UHFFFAOYSA-N 418.519 1.182 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@@H]2CCOC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517128 NUHXLPLNZGGYRI-HNNXBMFYSA-N 405.476 1.123 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854641748 IBNCMJLMDDDWFH-CQSZACIVSA-N 413.455 1.629 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)C1=O 1854728291 DVYUUQJKCJDNNO-ZDUSSCGKSA-N 405.430 1.738 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1856234465 ZGBGHIKSOIMRBZ-LJQANCHMSA-N 406.486 1.954 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC(COc4cnccn4)CC3)C2=O)ccn1 1856426175 LABYFGDFSUKTIF-SFHVURJKSA-N 406.446 1.275 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCc4ccc(OC)cc4C3)C2=O)CC1=O 1856544220 GRAFUIGQVKNHRI-QUCCMNQESA-N 411.502 1.605 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@@H]1CCN(C)C1=O 1857248160 KYASCBKTGRWAQY-AUUYWEPGSA-N 403.442 1.956 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(F)cc3F)C(C)(C)C2=O)CC1=O 1857420854 FVEVMSWMOLYPNT-OAHLLOKOSA-N 405.445 1.949 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CN(CC(=O)N3CCCCC3)c3ccccc32)ccn1 1857511569 JEFYDVKMPNYNKL-UHFFFAOYSA-N 403.442 1.959 30 10 HDEE C=CCN(CC=C)C(=O)[C@H]1CSCN1C(=O)c1ccc(NS(C)(=O)=O)cc1 1862135760 CXNDBAOCOXXVEC-MRXNPFEDSA-N 409.533 1.774 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867020257 YACFNZOXSNPFNO-GOSISDBHSA-N 417.462 1.798 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1888989749 YNXWBBSHHDBREC-NHCUHLMSSA-N 412.559 1.835 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cccc(OC)c3)CC2)CC1 1890143846 HWLUFAXSHKOZCS-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc[nH]cc1C#N 1987165072 LNJBHQFNCQZMOF-QGZVFWFLSA-N 410.478 1.734 30 10 HDEE C=C(CNC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2020853755 WKZVGZFOZXSWCF-AWEZNQCLSA-N 423.319 1.368 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)nc1 2102378706 SMQJUXBNUYJFTA-UHFFFAOYSA-N 412.471 1.210 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2118169719 JJFLTBPQMDZONY-YGCGCYASSA-N 406.530 1.232 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1 2174781861 JTDFIEGRWACFDV-SOUVJXGZSA-N 402.517 1.081 30 10 HDEE Cc1csc(CN(C)C(=O)CCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2177812490 JYHJGDWFMWMPOX-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NCC1(C(=O)O)CC(F)(F)C1)C(F)(F)F 2180569983 NXZJIGFMIODTQY-QMMMGPOBSA-N 400.222 1.602 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@@H]21 2199771936 BLLVZWJVGGRFFJ-WUHRBBMRSA-N 402.513 1.679 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221681451 LWWAJGDLVMOCMX-UKRRQHHQSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243402419 HSBPMWGPPDGIHL-KBPBESRZSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2247278559 JTRFMKKNNOXTJF-KBPBESRZSA-N 423.294 1.912 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248064538 WRGUXKQDSSLUKG-QWHCGFSZSA-N 418.303 1.419 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248402953 AHVMKBSVMISYCI-QVKFZJNVSA-N 420.315 1.763 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC(C#N)CC1)NC(=O)OCc1ccccc1 2258169234 GUZVGDQZDBBZAW-INIZCTEOSA-N 409.464 1.020 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2270531796 OWHBDDARMIZDQP-INIZCTEOSA-N 421.406 1.819 30 10 HDEE C=CC[C@@]1(CN)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272085267 QIEPRUIFTATLPR-PMACEKPBSA-N 423.510 1.568 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NC[C@H]2CCCCS2(=O)=O)OC1(C)C 2282014256 FRNHBZIAQCVDOF-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4CNC[C@H]43)cc2Cl)OC1(C)C 2282305365 XXZOGTHTSHGDPO-HOSYDEDBSA-N 418.777 1.587 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC(C)(C)C1 2282308119 MZECTQFYWRMNFR-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](C(N)=O)C3CC3)cc2Cl)OC1(C)C 2282309247 CAGKFJUOKDTSIJ-LLVKDONJSA-N 420.749 1.243 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CNC[C@H]1C 2282316515 DKYNMAAAIOKQGS-YPMHNXCESA-N 400.375 1.490 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCN[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282319149 PECOHEPZOKXVCS-CHWSQXEVSA-N 400.375 1.775 30 10 HDEE Cc1cc(S(=O)(=O)NCCCNC2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282417257 GTQRRJWODSTAEA-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE C[C@H](O)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282495223 JNLNUSFDZCMDHI-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC(C)(C)[C@@H](CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495615 ORGZIOWJIMUXIB-GFCCVEGCSA-N 403.375 1.980 30 10 HDEE CN(C1CCNCC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282508328 UYEJGGZVBKIESG-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CO[C@H]1CNCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282613857 NORPPRNWUSKMFS-RYUDHWBXSA-N 400.737 1.807 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@](O)(CO)C3)sc2Cl)OC1(C)C 2282625644 YBYHESWUOSVGMS-KRWDZBQOSA-N 401.721 1.660 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC[S@@](C)=O 2282827677 BTZNWEXSZIEHEA-RUZDIDTESA-N 401.359 1.293 30 10 HDEE C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852661 SBWNLHZTCAKUAN-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE CC1(C)CCN[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282861582 PWMJFTTUBOQDNL-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CNC[C@H](C)N(C)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282870039 LUOHRWLJDZFQEM-NSHDSACASA-N 402.391 1.893 30 10 HDEE CC(C)[C@H](C)[C@@H](N)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881821 CVTVHFQWJZORSU-JSGCOSHPSA-N 402.391 1.945 30 10 HDEE CN([C@@H]1CC[C@@H]1N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282882405 LDRDDBMDNXGFFB-LSDHHAIUSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCCCC(=O)O)s2)OC1(C)C 2284403547 QTCURBPUWMHARX-UHFFFAOYSA-N 403.331 1.971 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413540 AAFZSJQNZXWMOI-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)[C@@H]1CCOC1 2365207501 OUASVQUOSJGAIL-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365213944 XEESAVFTMRXEOJ-NXEZDXNNSA-N 400.541 1.291 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](CNC(=O)OC(C)(C)C)OC 2367787640 LTRIHCGEPDMSDJ-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(OC)CN(C(=O)OC(C)(C)C)C1 2367793706 WRNLQHSRISCVEK-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NCCC1CC(O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367811180 FULQADUZOGDNTA-XAUUPUKJSA-N 400.541 1.340 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369528441 IYZBBIIDUKHGAU-SANMLTNESA-N 401.359 1.481 30 10 HDEE CC[C@H](C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@H](C)O[C@@H](C)C3)c(C#N)c21 12531273 WFIVIQGAUATJEL-SRVKXCTJSA-N 409.494 1.967 30 10 HDEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 20527635 FCEKGKQRKUQIAL-DJKKODMXSA-N 417.524 1.691 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 111225287 VPVYLNVXMBCSAT-SJORKVTESA-N 424.592 1.841 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 429304068 XNXQRKLZWLKFAW-KEYYUXOJSA-N 402.451 1.097 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CS(C)(=O)=O)c3ccccc3)cc2C1=O 438937199 OOFXALTXKXKGJE-GOSISDBHSA-N 412.467 1.984 30 10 HDEE COCc1noc(CN2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)n1 444729979 GPFBROBKIKQOCO-BATSVXPKSA-N 418.542 1.653 30 10 HDEE COCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CC1=O 461258185 WARAMPVYKVQUKX-IBGZPJMESA-N 424.505 1.681 30 10 HDEE C[C@H]1CC(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 466812794 LYQPVSPQRUVNIB-HOTGVXAUSA-N 420.535 1.778 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCc4cnn(C(C)C)c4C3)CC2)c1C#N 480130794 AJIJWFINMXIIAB-KRWDZBQOSA-N 410.526 1.767 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCN1c1nccn2cnnc12 480734471 PUQPXROGAUOAAA-ZDUSSCGKSA-N 415.454 1.176 30 10 HDEE CC1(C#N)CN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)C1 482616486 UNUASZMOEHWSAC-UHFFFAOYSA-N 414.281 1.174 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 490169575 JMLXHNBIJGQFMH-JOCHJYFZSA-N 424.505 1.493 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NCC(C)C)n(C)c3=O)cc2s1 491573007 PYPRMDKWAFQJHW-UHFFFAOYSA-N 412.540 1.640 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)c(OC)c1OC 500062423 AZEJJCCYVZCAFQ-UHFFFAOYSA-N 410.430 1.577 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 508473246 NSUOWCXBEMSUSL-KRWDZBQOSA-N 419.507 1.063 30 10 HDEE CCN(CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 510780834 SCIKJPUSOSZXTN-OAHLLOKOSA-N 417.528 1.217 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN(C(=O)C2CCC2)C2CC2)CC1 518737867 FFXZGIMIGBCRBP-UHFFFAOYSA-N 410.522 1.966 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 520167844 HBBFXGJAPVALBK-UHFFFAOYSA-N 422.425 1.907 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2O)cc1 526125635 JJSGZBSYHOGSOT-UHFFFAOYSA-N 417.487 1.496 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H](C)Oc3ccccc3C#N)C2)cc1 535544010 USRDZARORMFQRL-CQSZACIVSA-N 415.471 1.523 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 536266716 OZGQCQCKWPXOMD-RYGJVYDSSA-N 412.515 1.787 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 543524587 NUHZZCZIXCOXHC-SFHVURJKSA-N 406.442 1.832 30 10 HDEE COC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 552888330 GLDLWBBKLRMQGV-LEWJYISDSA-N 406.486 1.727 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 553036518 YDKVYYMVIXFLMV-QGZVFWFLSA-N 415.519 1.960 30 10 HDEE CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586863729 YXHATDZQBVMGSJ-YOEHRIQHSA-N 402.470 1.857 30 10 HDEE CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 603522152 ALILLRLRUAYANO-UHFFFAOYSA-N 420.535 1.599 30 10 HDEE CN(C)CCn1cc(NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cn1 619683868 YPWWTBNOTASQCY-UHFFFAOYSA-N 410.356 1.792 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)CC1 728533028 SFAOTNJBFLENTD-UHFFFAOYSA-N 417.469 1.705 30 10 HDEE CC(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 730144959 UXBJOJNPHMFUSM-OLRQPGBRSA-N 405.568 1.648 30 10 HDEE COc1ccc2[nH]cc(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)c2c1 730365510 XMDOFDUGFKURTD-UHFFFAOYSA-N 423.429 1.850 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 732143304 IQTPIALKTOKDLM-HNNXBMFYSA-N 409.508 1.890 30 10 HDEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732648602 RHZJHDDPEULBRB-GOSISDBHSA-N 404.536 1.717 30 10 HDEE CC(C)(C)[S@](=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 734954060 DXAJYSPXMDXPEO-LDLUVENISA-N 416.547 1.871 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 747236914 FBWHHQYKNVYTPR-TWGQIWQCSA-N 412.471 1.650 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 753296399 YBAYHMREIARETN-MAUKXSAKSA-N 407.467 1.806 30 10 HDEE COc1c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cnc2c1cnn2C 757580036 HOQGCJOMKLKWID-FZMZJTMJSA-N 400.439 1.466 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758641754 CAJVNKZHULUVRD-UKRRQHHQSA-N 408.480 1.084 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3nc(Cc4ccccc4)no3)CC2)n1 760986379 HZYPTQBZUCSRCX-UHFFFAOYSA-N 403.446 1.959 30 10 HDEE N#Cc1ccc(/C(O)=C(/C(=S)NCCN2CCOCC2)[n+]2cccc(O)c2)cc1 762440443 XZDWRHYHZIBSHP-UHFFFAOYSA-O 411.507 1.684 30 10 HDEE Cn1cc([C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)cn1 773858804 NYVBWLCZSZLKJQ-AWEZNQCLSA-N 415.397 1.269 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCCC2)c1C)[C@@H]1CCS(=O)(=O)C1 774038453 JKRHYURRGQAOFO-MRXNPFEDSA-N 403.504 1.885 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774218466 RJDYQZOBICGUBU-HOTGVXAUSA-N 413.540 1.608 30 10 HDEE C#CCN(C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 774251841 KQGIOJQQAFDBBD-APWZRJJASA-N 414.531 1.944 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782414010 IGZSJIUXZWXRRA-JLTOFOAXSA-N 411.499 1.999 30 10 HDEE C[C@@H](CC(=O)OCc1nnc(C2CCC2)n1C)/N=C1/NS(=O)(=O)c2ccccc21 783160805 JJOAVLHFTQOMDM-LBPRGKRZSA-N 417.491 1.643 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OC[C@H]3CCCN(S(C)(=O)=O)C3)cc2C1=O 786480257 PPXNNESFSOFIOJ-ZDUSSCGKSA-N 406.460 1.297 30 10 HDEE C#CCn1ccc(CN(CCOC)c2c([N+](=O)[O-])cc(CO)c(C)c2[N+](=O)[O-])n1 788558311 FDEZYFDZJAQKQX-UHFFFAOYSA-N 403.395 1.786 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 788885037 HCOZTJVHPSKGNH-VIFPVBQESA-N 400.280 1.944 30 10 HDEE CCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=NCCCOC)n1 789969234 VVBDCQCGLIRESO-UHFFFAOYSA-N 401.496 1.958 30 10 HDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790356175 PCVIXKZJBAVAEO-UHFFFAOYSA-N 422.510 1.470 30 10 HDEE C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CCN(CC(F)(F)F)CC1 792445847 QYIGZFPEFWKPJF-WGKGOADCSA-N 402.417 1.682 30 10 HDEE C=CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn(CCC)c2)c1=O 794579297 UOBVELWBZTYJLY-MRXNPFEDSA-N 412.515 1.201 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 805487833 XKNRSHFVMAZWHM-CQSZACIVSA-N 405.480 1.251 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812386072 LCHJZGKYAYSASX-SJORKVTESA-N 418.519 1.320 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C 816198507 MIVKZTZZIRRGNS-UHFFFAOYSA-N 424.442 1.959 30 10 HDEE CSCC[C@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774887 GNTPMFISLIJBAU-HNNXBMFYSA-N 421.500 1.649 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCCc2ccc(F)cc2)n[nH]1 1084515060 RXQMRGBXIGSUHS-UHFFFAOYSA-N 416.486 1.883 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1)c1cc[nH]n1 1137334217 IRDSVFUSTKNFPM-LBPRGKRZSA-N 404.398 1.610 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 1142905254 YYACRAYBOXWRKP-JYBLJSLWSA-N 400.475 1.994 30 10 HDEE N#Cc1ccc(Oc2cccc(C(=O)NC3CCN(S(N)(=O)=O)CC3)c2)cc1 1149393927 ZPTPFJIWNJEVOY-UHFFFAOYSA-N 400.460 1.748 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 1151407452 KQYKVLYZVBQTBD-HXUWFJFHSA-N 409.471 1.316 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)cc1 1155846884 JFPWKVXHBNSYNM-UHFFFAOYSA-N 423.878 1.929 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)OCC 1171439111 LOZRABAQICRBFN-OSFYFWSMSA-N 403.932 1.903 30 10 HDEE CO[C@@H]1COCC[C@@H]1N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1175750427 UEHISNCZTIETAH-SLFFLAALSA-N 404.486 1.270 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1178552517 SFHPXVAKSQPSQB-LBPRGKRZSA-N 414.480 1.353 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(OC)cc3)ccc2C)C1 1179978351 HGGVKLKEVYJVDD-UHFFFAOYSA-N 400.456 1.625 30 10 HDEE C#CCOCCN(C)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1181747171 MABHOJBWXMHTBR-LJQANCHMSA-N 406.504 1.541 30 10 HDEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C12CCC2 1253068077 MTSFBXCOZLFFTO-HUUCEWRRSA-N 401.467 1.513 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1F)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 1256219207 WUUWFWQCOGHFCK-PBHICJAKSA-N 422.457 1.620 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](C#N)c1ccccc1Br 1280361729 AKEDITUBZVMVAY-GFCCVEGCSA-N 409.265 1.946 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 1286335199 HBSVHHZYAYXNRY-BBTUJRGHSA-N 404.511 1.801 30 10 HDEE C#CCCCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1286359783 JYCOCGLBHZKDTB-BBTUJRGHSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](CC(C)C)NC(=O)OCC 1286379052 DIQANQVDYAXJFZ-INIZCTEOSA-N 404.515 1.631 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1286387273 PLVWCTOSIIWZAC-MRXNPFEDSA-N 412.475 1.312 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)c2ccccn2)CC1 1286483600 QQGOLKJBZCGSND-UHFFFAOYSA-N 421.549 1.529 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)[C@@H](C)CC)CC1 1286485596 QXHUSKLYRILSTJ-UFYCRDLUSA-N 418.586 1.488 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286785110 FDHZNJOQQXBGSX-MRXNPFEDSA-N 407.478 1.639 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1286785210 BRFVXSSTXHCVOD-IYBDPMFKSA-N 416.526 1.761 30 10 HDEE C=CCCC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1288347966 SKWBOGLGZPPZOJ-PDQKVPEZSA-N 403.523 1.380 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncc(Br)s1 1291893093 CEYUSQVWEOSKCP-UHFFFAOYSA-N 401.267 1.583 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc([S@](C)=O)cc2)s1 1294450846 NWZLXTBDTKCEJL-VWLOTQADSA-N 412.558 1.809 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1300309763 VKIDTBJZOHSIIE-ABSDTBQOSA-N 405.568 1.448 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1300313426 HQXYAGBFQPNHHK-YJYMSZOUSA-N 424.473 1.155 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1300399219 JWGSCXDVFATKFJ-KRWDZBQOSA-N 414.462 1.816 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300412563 DEQRHSUJESRYTJ-UHFFFAOYSA-N 409.538 1.324 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300493509 VUHPXNNHEQVCHO-OXJNMPFZSA-N 417.535 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCC(C)CC1 1300532106 NFJUYZZLJASNLS-UHFFFAOYSA-N 408.506 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCC2)CC1 1300723385 TVEMYFQQCXOSBX-UHFFFAOYSA-N 421.549 1.710 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CC[C@](C)(C#N)C2)cc1 1301266478 WUZRQCAYMCDRNW-YVWKXTFCSA-N 405.520 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301492177 ZMYKCSLENMXJSQ-IBGZPJMESA-N 424.549 1.857 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301508150 FHAZQQQUTLXTOT-HNNXBMFYSA-N 423.564 1.246 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2CCOCC2)c1 1302986130 FIWUSGUONUTPJM-UHFFFAOYSA-N 424.505 1.714 30 10 HDEE Cn1nccc1C1(O)CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1303238678 LDKUAMQGWGZABN-UHFFFAOYSA-N 419.279 1.943 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCC[C@@H]2C)cs1 1304675096 ZNLDMGBLJONZLE-CRFBAAHOSA-N 402.524 1.914 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NC[C@@H]1CCCN(CC#N)C1 1306650468 BZNBNCDFYJFPOA-JKSUJKDBSA-N 407.540 1.331 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)NC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1308107285 LQIGAPBRHZXIMS-GJZGRUSLSA-N 420.510 1.279 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1309533108 ATWJLNCUJMUBLI-UHFFFAOYSA-N 422.532 1.271 30 10 HDEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCC(C#N)(C(=O)OC)CC1 1312341482 CXXSLEPEWTWXBK-HNNXBMFYSA-N 407.492 1.727 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)c(F)c1 1313214350 DVKXIOKOUPTWLE-UHFFFAOYSA-N 412.425 1.326 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1316324637 NSMIUGOGVNCBPI-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1316538871 BFCRIDJHAKZLKW-GOSISDBHSA-N 417.473 1.334 30 10 HDEE C=CCO[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1320364892 KBLCGNDKAJRRMM-ROUUACIJSA-N 416.526 1.269 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1358956813 KTXMRCOHLVPZFY-SFHVURJKSA-N 402.520 1.991 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cccc(OC)c2)CC1 1359038473 XPWIBZFXVOIVLL-UHFFFAOYSA-N 419.533 1.952 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)CC1 1359098017 WNDXJFFLMIPALH-HKUYNNGSSA-N 413.526 1.485 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)COC)CC1 1359165100 GRHIEBLOJPTZNB-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)C(C)C)CC1 1359286806 SPWUNAMIVPVWMY-UHFFFAOYSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C)CC1 1359300761 JVJMPNWFAROGAE-SFHVURJKSA-N 410.522 1.719 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCc2ccco2)C1 1359321211 BYTDPVKJGPXSGX-NVXWUHKLSA-N 401.467 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C[C@H]1CCOC1)C1CC1 1359331335 VTRKNCCNELBOGG-OAHLLOKOSA-N 420.539 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CC)C1 1359334110 SQZQVPDQPYFQIJ-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCO)Cc2ccccc2)n1Cc1ccc(C#N)o1 1360184788 SAFLDYXZJMZMHB-UHFFFAOYSA-N 408.462 1.928 30 10 HDEE Cc1cc(C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)cc(C)c1C#N 1443490053 IONFVKUDVPUMLH-IBGZPJMESA-N 419.547 1.527 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCC(O)CC2)C1 1449711395 YOCJGWPQMJHZBS-UHFFFAOYSA-N 407.312 1.330 30 10 HDEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1452948090 QUVWUXPAIZFSDA-KRWDZBQOSA-N 407.879 1.925 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCO[C@H](Cn3ccnn3)C2)c1 1453740401 CNWPRPJIZAAMDU-IBGZPJMESA-N 403.446 1.698 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2)cn1 1454504885 GSXBGZJPFLTBAO-KDOFPFPSSA-N 412.881 1.471 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(CCO)(CCO)CC2)cc1 1454710308 LJOOVRAVUFVDMI-UHFFFAOYSA-N 408.520 1.751 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2ccc(COC)o2)cc1 1456025440 OBNAVSQXCWLUCH-SFHVURJKSA-N 418.471 1.551 30 10 HDEE C#CCN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[C@H]1CCS(=O)(=O)C1 1456088151 UYCPEOCVQBLSTH-INIZCTEOSA-N 402.432 1.102 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 1460025327 DIYOOGFSIKADRR-GFCCVEGCSA-N 420.447 1.566 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1 1464571995 FHXSSZICEDBDSQ-HOCLYGCPSA-N 419.478 1.668 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(c3cnc4ccccc4n3)C2)cc1 1471663073 WESFTSNZVSPDBD-UHFFFAOYSA-N 406.467 1.781 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2ccc(CN3CCCCCC3)cc2)c(=O)nc1O 1477633374 HMRPTYZAYWKBLQ-UHFFFAOYSA-N 424.505 1.696 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@@H]2CCCO2)n1 1492519585 RAKFAKNPJICTGH-ZWKOTPCHSA-N 412.494 1.963 30 10 HDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1494170467 LIISXOIIXSBYPH-UPTRSRDDSA-N 402.499 1.717 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCN(C)C)CCOC1 1502673142 YELIOXNPNYGQQR-NRFANRHFSA-N 420.558 1.638 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1503604424 WCORZBLZVIKJGH-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1504660159 NSBWWVHXRFDULL-UHFFFAOYSA-N 407.434 1.326 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CCC1 1504887713 UBJQRKFFUXKDQO-OAHLLOKOSA-N 411.528 1.463 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NCC2CC2)c1 1507553176 YNJKRWHTIUVNAV-UHFFFAOYSA-N 420.517 1.813 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1507572998 BZTCNGMLCAFEBW-DOTOQJQBSA-N 409.556 1.555 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1507590727 GCMJEJLPFZUSQI-UHFFFAOYSA-N 410.526 1.438 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1507593162 JQOCEZMHPHTICJ-UHFFFAOYSA-N 404.540 1.567 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1507690992 ZGKWKPHCSJGLOG-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507748668 SWQVMQRLTPQMLP-QGZVFWFLSA-N 419.576 1.830 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1507750700 CAAJEWSLGHEMOX-KGLIPLIRSA-N 400.595 1.488 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507842554 IYKNTNZJKDCZKW-SFHVURJKSA-N 400.483 1.274 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCC(=O)NC 1508079057 MWNRYZAASAYBBI-UHFFFAOYSA-N 407.478 1.368 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508088481 GMQGKPALPVSRBU-JKSUJKDBSA-N 402.499 1.023 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 1508103760 IATPXORUYXKQSH-MRXNPFEDSA-N 410.478 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](COCC)C1 1508137296 MEQBTCJTMQMOQU-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508142366 CHKZXVRKIZQRTD-GOSISDBHSA-N 407.584 1.896 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C[C@H]1C 1516185953 VCSORYWFDYZUAR-ZTEDVXDMSA-N 423.491 1.405 30 10 HDEE COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1518540164 DARBQGWWLABQPO-OLZOCXBDSA-N 407.500 1.079 30 10 HDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1519369991 OMUIXXGGQNZOQW-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE C#C[C@H](NC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1)c1ccc(Br)cc1 1525048592 IGIHHTLDEDBKJZ-HNNXBMFYSA-N 420.288 1.737 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N 1530741116 TZAAJNMENJNGFP-GHMZBOCLSA-N 410.268 1.436 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@@]2(C)C(=O)OC)ccc1F 1534858537 KAKCZWCYXFZPSD-UGSOOPFHSA-N 414.455 1.083 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)c(F)c1 1536179470 JSDSFLKDEWFZGQ-JXFKEZNVSA-N 416.478 1.311 30 10 HDEE NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1536952437 DBVAPBGHFIWQKB-DKXJUACHSA-N 410.261 1.649 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccnc(-c4ccc(Cl)cc4)n3)C[C@H]1CS(=O)(=O)C2 1538309942 LMVQQLGNDRVDFZ-UGSOOPFHSA-N 402.863 1.807 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cn(CCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539219288 HZVVBPGKYMESPR-GOSISDBHSA-N 418.567 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(-n2ccnc2C)nc1 1539257140 GMBUXFVGYRKJPD-UHFFFAOYSA-N 409.457 1.745 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCCN2CCOCC2)CC1 1539447136 OPPJLIIOGKBMGM-UHFFFAOYSA-N 400.571 1.803 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1539722383 NCRUHQPMAPETPR-SZMVWBNQSA-N 402.499 1.890 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540069756 XBZKIGQESUJWTM-DOTOQJQBSA-N 411.510 1.520 30 10 HDEE CNS(=O)(=O)c1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)s1 1540641096 FHCCNNGGJRPWBF-UHFFFAOYSA-N 420.516 1.953 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540862972 MMEBBVRUJXLYMQ-STQMWFEESA-N 416.448 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C)o1 1540898107 ZMSFLBSCFYGHMO-UHFFFAOYSA-N 409.512 1.555 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1540899966 GYAXABKIXURLQP-INIZCTEOSA-N 403.508 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1540901648 LCUNWOITRANGTC-MRXNPFEDSA-N 403.508 1.809 30 10 HDEE COCCn1cc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)ccc1=O 1540917914 GLIAIRSDMFCHMF-UHFFFAOYSA-N 400.460 1.585 30 10 HDEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCCC1 1544863660 ZSSFMCQEBRVYNL-UHFFFAOYSA-N 405.520 1.816 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1546396241 BJNICYBWJIMIML-VLIAUNLRSA-N 417.489 1.967 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1C 1547636672 AMHQIUUQKQMCKT-HZPDHXFCSA-N 416.551 1.780 30 10 HDEE COc1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CC2)cc(OC)c1OC 1554740393 NPRSOVRGGFQXGU-LJQANCHMSA-N 417.441 1.938 30 10 HDEE COCCCN(c1nnc(C2CC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1555488873 CNPGSYRXFDUGCD-OAHLLOKOSA-N 419.507 1.698 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC1 1555558673 ACHKPSRGNPAUDZ-QGZVFWFLSA-N 404.515 1.361 30 10 HDEE C#CCC1(NC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CCOCC1 1562465757 QKMAZTGGLKQALO-HNNXBMFYSA-N 406.508 1.814 30 10 HDEE C[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CN1C(=O)NCCn1cnc(C#N)n1 1564723615 CSGSONOJGWZUAU-OAHLLOKOSA-N 417.514 1.971 30 10 HDEE C=CCONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1564763323 DTIWZWLOSRYMQS-UHFFFAOYSA-N 410.315 1.644 30 10 HDEE C=C1CCC(CNC(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)CC1 1565322161 XPNQACIRJKJPHS-UHFFFAOYSA-N 403.487 1.209 30 10 HDEE C#CCOc1ccc(CNC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)cc1 1569241557 VGDVNJJJVUBKBU-UHFFFAOYSA-N 421.457 1.049 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)c(OC)c1 1583197293 ANAOVQULBVDSGR-CQSZACIVSA-N 420.425 1.914 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1583481488 SIOVOLCJAKUFLH-INIZCTEOSA-N 417.409 1.000 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)c1 1585390895 APQWATFWKROORS-QGZVFWFLSA-N 422.459 1.522 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2ncn(C)n2)c1 1587684269 UXBCIRKYZYVAPC-UHFFFAOYSA-N 406.494 1.809 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587766813 ZCTLGIIOIZLDQS-IAGOWNOFSA-N 414.510 1.448 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2sc(C)nc2C)CC1 1588733033 KUMBKKPKWYFBOP-UHFFFAOYSA-N 401.540 1.293 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1593878075 CSOXCQVOYONJSY-MRXNPFEDSA-N 410.950 1.571 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1594122507 RIMGMXWKZAKFFV-UHFFFAOYSA-N 404.540 1.873 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1594912981 BVQVCKOWVGJBOL-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1595522704 IRNZSKFYPOOYTM-UHFFFAOYSA-N 407.478 1.959 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](Cc2ccccc2)C1 1595529813 IUHLZMCIGSNKLP-GOSISDBHSA-N 419.489 1.485 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1598193644 HATDMLHLSAVWFR-STQMWFEESA-N 410.920 1.294 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc3c(C#N)c[nH]c3c1)CCS2(=O)=O 1603509945 FLXDFRHKMDXHHD-LXDLAPCHSA-N 415.471 1.668 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1614223261 QLVPAZRZTUFXMX-SJORKVTESA-N 423.477 1.420 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1615741241 FWJZUKHWVMVDRW-OAQYLSRUSA-N 419.493 1.439 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1618866177 GBLJNIMPRARWKN-UHFFFAOYSA-N 410.478 1.684 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1sc(C)nc1C 1619911743 DXKLQGYILWWKKU-OAHLLOKOSA-N 417.539 1.912 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN[C@H](CO)c1ccccc1I 1620653872 RFSCHOLLMAMJPZ-IUODEOHRSA-N 415.275 1.922 30 10 HDEE CC(=O)NC[C@@H]1CCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1623688626 JNBCSWOMQXGPHJ-ROUUACIJSA-N 411.462 1.280 30 10 HDEE Cc1cc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1624377549 UKVOEXZCVRCREA-UHFFFAOYSA-N 406.439 1.377 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1626550015 VQMYXIYBBQDKLM-IRXDYDNUSA-N 423.558 1.632 30 10 HDEE Cn1cc(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2=O)cn1 1629186474 ZHGRYHJXOZCXOB-HNNXBMFYSA-N 404.471 1.182 30 10 HDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C 1629264305 BABGMBPJHMVFTD-ZIAGYGMSSA-N 409.508 1.804 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1629506578 MUMWIYXDKOUOKE-NSHDSACASA-N 414.509 1.289 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)nn1 1630445408 DEUGTNMLZZJOCO-UHFFFAOYSA-N 404.477 1.651 30 10 HDEE N#CCCN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 1632348766 HRECZIJMPDFXQB-UHFFFAOYSA-N 405.455 1.626 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCOc3ccccc32)c1 1634622764 ZZVGOFJALQOKSE-UHFFFAOYSA-N 412.467 1.639 30 10 HDEE C=CCOCCCNC(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1636986851 GUCMSTBKMXFPTD-UHFFFAOYSA-N 409.508 1.150 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1 1638575387 UUTPONVTPJAAGD-DNVCBOLYSA-N 407.492 1.502 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCC2)cc1 1639189695 LQHVXRNFQCMRDY-DOTOQJQBSA-N 401.488 1.089 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1639840571 OOKBFVSRVHIWRO-HNNXBMFYSA-N 406.460 1.470 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1639973914 PRBMRHAAFHRYKD-JKSUJKDBSA-N 422.407 1.576 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1640147190 PRTFPPNRCNCSMV-VLIAUNLRSA-N 417.466 1.116 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 1640439321 HGOFWMLTKVRFIL-UHFFFAOYSA-N 408.480 1.386 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1640925362 GIRMQSCGIVKULZ-ROUUACIJSA-N 419.503 1.991 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCOc1ccc(F)c(Cl)c1)c1cc[nH]n1 1641034708 QANOUJRCCALWGX-UHFFFAOYSA-N 412.805 1.681 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)c1ccccc1 1643236367 GWKJYSUFGFFYED-SFHVURJKSA-N 412.490 1.203 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 1643896957 PRQMEUKQELHUOO-ABAIWWIYSA-N 405.398 1.405 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1644428831 MBAIRAOECPAVOI-LXTVHRRPSA-N 412.408 1.349 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1644490056 ASTNZBYOCNWLGO-XMSQKQJNSA-N 420.513 1.827 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1Cc2ccccc2OCC1=O 1644505965 UJURKVRVLWPCPR-QGZVFWFLSA-N 415.490 1.831 30 10 HDEE C[C@@H](C1CC1)N(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)C1CC1 1656779411 YYPLNRHLOCFLCE-ZDUSSCGKSA-N 416.478 1.013 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)CCN2CC3(CCOCC3)C2)c1 1665661447 RCGWCFHKDPLXCW-UHFFFAOYSA-N 407.536 1.335 30 10 HDEE C=CC[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1668560443 TXMOUHOHKITYDD-QZTJIDSGSA-N 400.527 1.890 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 1670883487 YYGWVAUFYTVPMU-CQSZACIVSA-N 424.441 1.687 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1673203201 SHAFDWWGFSMTIO-GOSISDBHSA-N 407.559 1.278 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1674887861 LCWCGTOQXAXJDJ-GOSISDBHSA-N 419.522 1.968 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(N3CCCCC3)CCCCC2)c(=O)nc1O 1675282023 GEURBIXCGOONPJ-UHFFFAOYSA-N 402.499 1.309 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1680388525 CHYSUCNKWKRHIG-HXUWFJFHSA-N 402.539 1.857 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2cc(OC)cc(OC)c2)CC1)C1CCOCC1 1684187748 BQFKOACNEJTDTD-OAQYLSRUSA-N 401.507 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1689824636 UPYVYWOMXDCKSW-IRXDYDNUSA-N 411.510 1.352 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689846264 IELMJHWXPAMKRT-SJLPKXTDSA-N 412.542 1.079 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1689907630 FYXVIJHZHISKAS-HRAATJIYSA-N 403.527 1.994 30 10 HDEE C#CCCCn1c(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1689941519 QWUBBAYWEADHRT-HKUYNNGSSA-N 400.571 1.978 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989269 CPISCTDOKGEUQG-KGLIPLIRSA-N 420.457 1.751 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1690059408 PLNCACGRJRCDOA-SJORKVTESA-N 410.588 1.612 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(-n2cccn2)c1 1690092802 WRZNZQQHWWLUGL-UHFFFAOYSA-N 422.493 1.131 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@@]1(OC(C)C)CCOC1 1690731203 CNEQXFOSPBAAHX-ABSDTBQOSA-N 424.567 1.908 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)CNC(=O)C2 1690749496 FYXGDTAKXUISLO-UHFFFAOYSA-N 418.567 1.426 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1692659795 AHEDRYVYQBINPB-AUUYWEPGSA-N 417.539 1.075 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)C1 1692851829 GTIKWKJFDCGPFL-UZLBHIALSA-N 402.499 1.161 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1693549546 YWCUCOQFRMTXLY-KRWDZBQOSA-N 405.506 1.746 30 10 HDEE C[C@H]1CC(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C[C@H](C)O1 1693582365 CICNUMOOEGHGFC-HOTGVXAUSA-N 424.505 1.869 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1696808203 DKIMIAKGHSBMOL-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H]2CCOC2)CC1 1705634550 ARKKGLHVDVWBBY-WIYYLYMNSA-N 403.527 1.112 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1705730004 FHMMGVBTQWWUSH-HZPDHXFCSA-N 414.576 1.011 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@@H](C)C1 1705730005 FHMMGVBTQWWUSH-JKSUJKDBSA-N 414.576 1.011 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1705841772 JDFCKXZXOFCMLO-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@@H]1CC 1705929078 ZJVLBVKMGWBKSO-CVEARBPZSA-N 409.556 1.740 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1706058461 BWHYTIBXWRVLSX-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1CCS(=O)(=O)CC1 1707919253 GZGQRGFVTNTTQH-IBGZPJMESA-N 415.519 1.861 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1708190974 OAJVCHAUFIANIZ-DMIMOZFVSA-N 407.478 1.959 30 10 HDEE CN(C)C(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1710985724 JZBFNRFOSDCXQV-UHFFFAOYSA-N 408.510 1.617 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1711510577 DSNPWRKDIYPCHP-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)C1 1712875323 BVOIPIULRQNXRQ-GOSISDBHSA-N 410.375 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)NC 1722285936 ADEPUZNHCOIUIK-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOC)[C@H]1CCS(=O)(=O)C1 1722362939 PIAROLVZPCAIEU-AWEZNQCLSA-N 408.911 1.872 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722409127 GLHWQDXUWPFKKY-IBGZPJMESA-N 409.538 1.742 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1722629178 HHXNXIGWKCEGHY-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1722631770 WIVGQLWDXQAUEN-HNNXBMFYSA-N 415.523 1.745 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 1728601423 AEHCGHGIRPCXHX-DLBZAZTESA-N 404.563 1.038 30 10 HDEE COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1729797435 ZCQVLXILWXOTLR-WFASDCNBSA-N 413.438 1.019 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740576456 XTHBLOSWFUMBBA-OAHLLOKOSA-N 400.483 1.106 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1740617067 LGLWMFNKONFOLY-QGZVFWFLSA-N 403.508 1.444 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625478 NYWGIGIDTAYRCL-SFHVURJKSA-N 424.567 1.301 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740625639 HBQCHJKAQRJFAG-JKSUJKDBSA-N 410.540 1.307 30 10 HDEE C#CCN(c1nnc(CC)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1740626379 UHFRCFHNGWAICF-INIZCTEOSA-N 402.524 1.364 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1740673750 FUOOIJNJSSBJMG-UHFFFAOYSA-N 421.505 1.804 30 10 HDEE C#CCSCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1740710932 DZTSFBYUPYHIER-INIZCTEOSA-N 419.938 1.916 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1 1740764839 KIQLERZRMUWROL-GUDVDZBRSA-N 405.543 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740992312 OUUZLRJHAPAMTC-UHFFFAOYSA-N 415.523 1.658 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCOCC1 1741127684 GQCFYZHIEDGWSY-HZPDHXFCSA-N 412.494 1.990 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(C)CC1 1741674253 AHHDCLIIGDYQTR-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747839082 CDXWQGSUHMOVLY-GOEBONIOSA-N 419.507 1.698 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764050 GTVIACJEPCTMFC-GHTZIAJQSA-N 419.526 1.073 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1748802904 TVINVNLQTSGKEQ-QGZVFWFLSA-N 401.536 1.954 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1748818469 ZXDCHNMAXXIDCN-HOTGVXAUSA-N 404.492 1.358 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)N(C)C 1748833289 OCZXJYCYZZYLRN-UHFFFAOYSA-N 411.487 1.656 30 10 HDEE COc1ccccc1O[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1749074160 APHWEMWWDPYUSK-WBVHZDCISA-N 423.477 1.883 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749356319 NXHVCGGFVAFSHU-BZUAXINKSA-N 401.398 1.915 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1749827774 KQZPRCGPCKLCLG-NRFANRHFSA-N 410.478 1.989 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1760138479 ZITZIKJZYUBPMD-FXAWDEMLSA-N 406.552 1.991 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760140972 FTBRRTVMCRQZAM-HXUWFJFHSA-N 400.483 1.235 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCOC1 1760200461 JPOZBJMOLWTJBJ-QFIPXVFZSA-N 402.458 1.355 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1760241337 WRKGZMRURYHXEB-LAUBAEHRSA-N 413.453 1.160 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1760451031 YKAUISHKOKPHNX-INIZCTEOSA-N 408.528 1.143 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N(C)C 1760491910 ZABFWAQGSPFKLW-UHFFFAOYSA-N 407.482 1.578 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760522026 KGCAFZCETUJRGT-SFHVURJKSA-N 424.505 1.047 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC)C1 1760543192 QWXNLVVHFCWELI-MDZRGWNJSA-N 412.556 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCNS(=O)(=O)CC)C1 1760544724 GFVWABADDJSCBR-MRXNPFEDSA-N 406.512 1.061 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1761211280 LYHLNQNTOBNYRL-UZLBHIALSA-N 402.499 1.494 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1761631241 ROJPDGGRQBUTHJ-LBPRGKRZSA-N 402.871 1.931 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1766869814 AWMWHRYGDLXDMK-GOSISDBHSA-N 423.521 1.063 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCC1 1770049525 CNKVTZMSCYMSPM-FUHWJXTLSA-N 406.531 1.605 30 10 HDEE CNS(=O)(=O)c1cc(Cl)sc1C(=O)ON1C(=O)c2ccccc2C1=O 1772783434 PRWALWDTAMZHGY-UHFFFAOYSA-N 400.821 1.678 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H]1C 1772881878 SZMGCACKFGSJCL-DLBZAZTESA-N 420.525 1.812 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 1848883147 ROTUVBGUTDOMRR-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC2(C#N)CCOCC2)cc1 1850740538 WSZAOWNNBOAUJI-SFHVURJKSA-N 421.519 1.675 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1851315129 KPXKAPIFLHOPBZ-UHFFFAOYSA-N 404.536 1.777 30 10 HDEE Cc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c(C#N)c(C)c1Br 1852537047 YUVUICKMUAHAOJ-SECBINFHSA-N 415.313 1.439 30 10 HDEE CC(=O)N1CCC[C@H](CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852880288 DRWATDTUTVNANJ-RBBKRZOGSA-N 401.507 1.913 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)c2ccccc21 1853065814 BQRPQBKGCGWZOF-MRXNPFEDSA-N 420.535 1.566 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(C(F)(F)F)CC3)C2=O)CC1=O 1853812635 RZQGBXNRDWZEOB-UKRRQHHQSA-N 401.429 1.813 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCCO3)C3(CCCCC3)C2=O)CC1=O 1853926840 ICWQHNNFOYCXCO-MSOLQXFVSA-N 403.523 1.574 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c(C)c1 1854031310 AKPJGLQCOKBOJT-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1854354454 LPTDJGZCXDMYBF-MRXNPFEDSA-N 419.503 1.693 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3c4ccccc4nn3C)C(=O)C2)C1 1854957095 WCRWTZKVRBVMNB-SJORKVTESA-N 408.506 1.624 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1855615231 VEMKGDBNJLARNH-LJQANCHMSA-N 417.531 1.912 30 10 HDEE CN(C)c1nccc2c1CCCN2C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1855686358 QVKYZPNZBXQBBY-HNNXBMFYSA-N 404.474 1.856 30 10 HDEE C[C@@H]1CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1856088167 GUYZDOFBCATCTI-APWZRJJASA-N 417.531 1.375 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856551425 MTUWLTQNJBPCFR-IEBWSBKVSA-N 416.522 1.157 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3cncc(Cl)c3)C2=O)CC1 1857070789 VMBGQWKQJGZRHO-QGZVFWFLSA-N 410.865 1.565 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1857145691 DUMSKHYZEZXLOO-OALUTQOASA-N 404.474 1.229 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(F)cc2F)C1=O 1857146728 RJGLYNCGKRXPRX-KRWDZBQOSA-N 412.400 1.188 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861267639 AMLUDCWWIFIWGY-MSOLQXFVSA-N 415.877 1.428 30 10 HDEE N#Cc1cccc(C(=O)Oc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c1 1865745145 YLUGDPPTZVJLTK-AWEZNQCLSA-N 403.350 1.179 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1C[C@H]1CCCO1 1870476304 LIBMICIFHKPABL-LJQANCHMSA-N 420.506 1.770 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCC(O)CC1 1870503158 ZHDZUQMBTGWNOM-UHFFFAOYSA-N 404.492 1.465 30 10 HDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCCC2)cc1=O 1870560128 IPMMUICPJHJAOE-UHFFFAOYSA-N 401.488 1.152 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871687054 QSHGCKVFAHDZNM-UHFFFAOYSA-N 403.437 1.464 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3ccc(F)cc3)C(=O)C2)cs1 1890483878 PAFOUWNLNWKLPW-UHFFFAOYSA-N 402.451 1.683 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 1918786014 SXNMAXGAZTTYQQ-LLVKDONJSA-N 415.899 1.860 30 10 HDEE C[C@@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1957294159 KNJCTRXFPJMUQZ-ZDUSSCGKSA-N 418.516 1.933 30 10 HDEE C#CCO[C@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1962771515 LCQNRXMGYIYEKP-INIZCTEOSA-N 404.488 1.507 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C[C@@H]3CC[C@@H](F)C3)s2)OC1(C)C 2150390766 YAVZBUISEBOJOK-VXGBXAGGSA-N 404.338 2.000 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174789573 RXBNGZZZAQUSRB-RXBISOJRSA-N 414.509 1.749 30 10 HDEE C=CCn1ncc(NCc2nn(C)nc2Br)c(Br)c1=O 2235257642 AVMFDIWRVDNSPH-UHFFFAOYSA-N 404.066 1.695 30 10 HDEE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2235503622 FILFUINHLXPCQJ-GFCCVEGCSA-N 400.375 1.840 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@@H](O)C(F)(F)F 2241351924 NPYCFKWJORIBFB-WDEREUQCSA-N 418.324 1.557 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2243429884 JTDKJSQAVJCFMB-GJZGRUSLSA-N 408.304 1.355 30 10 HDEE Cn1nc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2247918610 LNKXBEWPLXTFSJ-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248057152 UKRUPRFFVIMXTB-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCc3ccn(Cc4ccccc4)n3)nc2)OC1(C)C 2255647341 XKDIJRWKUSLOMF-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)n1 2255817037 OTMXJEILPJBRAJ-IRXDYDNUSA-N 422.338 1.580 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)C1CC1)NC(=O)OCc1ccccc1 2258160321 MZAVAMZIMXSNLE-MRXNPFEDSA-N 409.464 1.162 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)C1 2266483411 CFKWGABRXCDKOD-JZLYGMAVSA-N 402.538 1.239 30 10 HDEE COC1(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CNC1 2281965606 KVHRGWQSMHXBJE-UHFFFAOYSA-N 400.737 1.809 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282135830 KSJFFEUPVBOHQC-GFCCVEGCSA-N 401.359 1.990 30 10 HDEE CN(C)[C@]1(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333730 RZDWBIOILSLLJP-QGZVFWFLSA-N 400.375 1.762 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336527 FLQFLOQHGYYSKK-NSHDSACASA-N 423.387 1.149 30 10 HDEE CC[C@H]1CNCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338544 RWARVQZRYMAURM-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282490430 JSMMWHLZPDZXOJ-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1O 2282502215 HXQMXBURDTWGPB-JSGCOSHPSA-N 401.359 1.580 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNCC[C@@H]1C 2282835954 ZYNKIVBOEYKYSC-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE CCSC[C@@H](C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838049 ZJDSXFDZBKYLKQ-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(O)(C(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841010 LGNPBZNZQHUPGG-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE CC(C)[C@@H](CCO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282841078 LSLGXZVWPQHZPY-CQSZACIVSA-N 403.375 1.874 30 10 HDEE CN([C@@H]1CCC[C@H]1CN)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855470 FICPMKBTTBBLKF-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CC(F)(F)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404266 XQCCAWPWSOJZSQ-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC(F)(F)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409017 DMTKBATUMZLEBP-SNVBAGLBSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)C[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284427454 AWPIMLPLXPRNOH-WCBMZHEXSA-N 401.677 1.361 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)CC1(C)COC1 2287107710 QLIAKDMNXNCGSU-UHFFFAOYSA-N 401.359 1.812 30 10 HDEE COCCN(C[C@H](C)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2288012116 ZYDURSGZCGKIQY-LBPRGKRZSA-N 405.347 1.065 30 10 HDEE C#CCN(C[C@@H](O)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2307984703 SMDCSEUKVUMSHY-LLVKDONJSA-N 403.277 1.591 30 10 HDEE CC(=O)N[C@H](CS)C(=O)Nc1cc(F)c(I)c(F)c1 2341213843 HUDQAMRDUXXKGN-SECBINFHSA-N 400.188 1.942 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365198372 FPTQLILYFVGURD-VCBZYWHSSA-N 400.541 1.414 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CC)CNC(=O)OC(C)(C)C 2367832169 XYEUJNLEXGWYIX-KXBFYZLASA-N 402.557 1.601 30 10 HDEE COc1ccc(/C=N/Nc2nc(SCC(N)=O)n[nH]2)cc1OCn1cccn1 20424384 LTLQKUNNXNOMBB-QGMBQPNBSA-N 402.440 1.070 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 25565323 LQQLPFPUWWJRPI-MRXNPFEDSA-N 424.523 1.714 30 10 HDEE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59820605 UNJIABZVSWRWRT-LBBJYAOWSA-N 409.428 1.442 30 10 HDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCO)cc1 102705978 OMMLTKZFOMCMBB-LYHOESIGSA-N 411.410 1.896 30 10 HDEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)nc1 238921816 UBBGKLSTSACHEM-ZHALLVOQSA-N 412.490 1.787 30 10 HDEE Cc1oc(NC(=O)[C@@H](C)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 303475687 OTCCWGADJNIBQY-MRXNPFEDSA-N 415.538 1.971 30 10 HDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410413080 HFTREDOSEGIQGK-UHFFFAOYSA-N 419.425 1.835 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)co1 438619185 CAWUMSQLGHPOEV-UHFFFAOYSA-N 404.448 1.574 30 10 HDEE COC(=O)CC1(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCS(=O)(=O)CC1 439091225 VZTHVRKCELSPEA-UHFFFAOYSA-N 420.896 1.000 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 461310745 GNDFCEGIAQQFEY-UHFFFAOYSA-N 421.461 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3cncc(Br)c3)CC2)CC1 466983029 CCMXXCKYMXORAF-UHFFFAOYSA-N 407.312 1.322 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)c1 470218293 MLQQMLWDYNHDAV-KRWDZBQOSA-N 417.535 1.592 30 10 HDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477502131 QGQOEDYULKFODN-HNNXBMFYSA-N 408.499 1.794 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1Oc1ccccc1C#N 480594626 JHUGPTSRXGJYTL-KRWDZBQOSA-N 406.442 1.817 30 10 HDEE COc1cnccc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 481493609 AEQUJIYCBNGIMY-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)ccc2Br)CC1 497515551 OGXLUORCVQZNBB-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 500922688 YKOVQYXZSPZNDZ-OAHLLOKOSA-N 422.526 1.592 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nncn2-c2ccc(C)cc2)CC1 506271810 OITSJQQIUMTKQE-UHFFFAOYSA-N 414.535 1.114 30 10 HDEE C=CCSCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 508573778 WUWONNKFUIFGON-QGZVFWFLSA-N 420.583 1.470 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508793158 OTRIITISBLQTHI-KRWDZBQOSA-N 401.467 1.852 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508998994 PEMZHTYHYOEHKU-HNNXBMFYSA-N 410.457 1.726 30 10 HDEE CN1CCN([C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)c2ccccc2)CC1 519146437 USTRMGKYWGFQIT-OAQYLSRUSA-N 404.518 1.591 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n(CCC#N)n1 521873093 FDWNPNNBKLYJMV-LJQANCHMSA-N 406.446 1.519 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 533436672 ZGEORZXLJZIAQY-UHFFFAOYSA-N 410.496 1.326 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N(C[C@H](C)C#N)C1CC1 533600231 HOZKDCZLYPBNSA-OAHLLOKOSA-N 406.552 1.989 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)c1C#N 536299889 OTLNZILHPHDKNP-DNVCBOLYSA-N 410.478 1.600 30 10 HDEE COC(=O)CN(CC#N)S(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1 537645635 IXWPHOHORMEZEY-UHFFFAOYSA-N 401.510 1.140 30 10 HDEE Cc1cc(C)c([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 541005312 OPKBYNBQSBLERO-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCC(=O)N2CCCC2)n1 542068047 XZLDZADIRAWYJH-UHFFFAOYSA-N 400.826 1.074 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 542702640 LQHJQRXPSHUBTC-OWCLPIDISA-N 416.565 1.569 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 546926320 VWNQBKPWXCDTJF-SIFCLUCFSA-N 407.536 1.919 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](CC)O[C@H](C)C1 549250762 IIEAYNPKPPGJSI-PMPSAXMXSA-N 413.544 1.191 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1)C(C)C 559867122 JONVHQZSYYCQBS-GCJKJVERSA-N 407.555 1.598 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 564089384 MOUWLMQPXFKECH-CQSZACIVSA-N 419.511 1.649 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 584084770 DIWAUPVLCCVVQX-GOSISDBHSA-N 409.494 1.099 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N(CCCC#N)CCN1CCOCC1 586157048 BRGATPVJYBMCRS-UHFFFAOYSA-N 401.916 1.975 30 10 HDEE COc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 619496756 KNLPBJVUSWPRPW-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE C#CCN(C(=O)CSCc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 729334310 MCMHVSJVMOWWER-CQSZACIVSA-N 412.489 1.486 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccco2)cn1 730145193 XTVKCFLPNJPDCO-INIZCTEOSA-N 418.523 1.696 30 10 HDEE COC[C@@H](C)NC(=O)NC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398363 FPDKZQKBKFCFKN-CYBMUJFWSA-N 412.402 1.763 30 10 HDEE COc1cccc(N2CC[C@H](CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)c1 732458857 MLOYSGLMFGGLAW-FZFLATATSA-N 413.478 1.347 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCOCC)c2=O)cn1 735068284 HGLPKBLARVWIOP-UHFFFAOYSA-N 416.547 1.671 30 10 HDEE CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 752215690 UDKHPRAISYDDEO-OAGGEKHMSA-N 419.459 1.272 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 753596563 DPDAFDSNVCSLDC-QGZVFWFLSA-N 424.523 1.149 30 10 HDEE N#Cc1cccc(N2CCN(Cn3nc(-c4cccc([N+](=O)[O-])c4)ccc3=O)CC2)n1 760549675 DBBJSIGWOKHGBY-UHFFFAOYSA-N 417.429 1.865 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765145703 MMPDJIXTWDTSTF-UHFFFAOYSA-N 410.455 1.101 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 765186091 HLCOGEILXNFUAJ-HIFRSBDPSA-N 404.410 1.374 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cn1 771378225 UOAFARBBGRLJPS-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 774186232 ADXBDRCLXQFGHS-AWEZNQCLSA-N 416.446 1.671 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)ccc1OC)[C@H]1CCS(=O)(=O)C1 774188964 WISFXVZRHMXNCY-AWEZNQCLSA-N 415.309 1.790 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649481 QDUJBMKUCUGTJV-UHFFFAOYSA-N 424.526 1.242 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCCN3C(=O)Cc3cccs3)nc12 783134268 YITZDLBQOZWHKP-OAHLLOKOSA-N 411.443 1.645 30 10 HDEE CC(C)/C=C\C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 785035664 NAVPZAWWIDIQSE-FPLPWBNLSA-N 405.476 1.147 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)cc1C#N 789707607 ZBBUQTSCPREWJI-UHFFFAOYSA-N 416.547 1.661 30 10 HDEE C#C[C@H](C)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191693 FDKVDPSNYMIQOE-LBPRGKRZSA-N 402.505 1.288 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCCN(c4ccnc(N)n4)C3)cc2C1=O 810763733 GRTFMZCUQZHSPP-AWEZNQCLSA-N 407.430 1.667 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 916775694 GMEVPQBAVXHLIH-UHFFFAOYSA-N 410.455 1.683 30 10 HDEE COc1ccc(N=C2S[C@@H](C(=O)O)CC(=O)N2NC(=O)c2ccncc2)cc1 1084307921 ORQNQJCRLFMISZ-CQSZACIVSA-N 400.416 1.841 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cn1 1084597794 OEQYCAUMXUYHQG-UHFFFAOYSA-N 411.495 1.860 30 10 HDEE C#CCN(C(=O)c1nn(-c2cc(F)cc(F)c2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1125953171 AWOVWXQFDPEIQE-OAHLLOKOSA-N 419.453 1.902 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CCC1 1133717233 KEKVCYAQKCTNIR-KRWDZBQOSA-N 402.520 1.997 30 10 HDEE CC[C@@H](C)n1ncc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc(C)nc21 1134053474 XKVLXXBTBAFRNB-TYILLQQXSA-N 401.492 1.721 30 10 HDEE C[C@H](CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nn[nH]n1 1153675985 KQCOOXBOQKTURM-GWMLXNDSSA-N 403.487 1.548 30 10 HDEE N#C[C@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CCc2ccccc2C1 1154541769 SDIXYDRTURSAMX-XXBNENTESA-N 422.460 1.296 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1C#N 1154576119 HXAQBHPERXMCRV-JKSUJKDBSA-N 400.435 1.882 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC(=O)c1cc(F)cc(F)c1 1156763546 ZGMCAVDDQJFNFJ-NSHDSACASA-N 407.398 1.502 30 10 HDEE N#C[C@]12CN(C(=O)CN[C@@H](c3ccccc3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1157884374 HVGMSEJCXLPKAA-CWRNSKLLSA-N 401.410 1.276 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@H]([C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1163383148 CBYOHHWRDMWSLD-GJZGRUSLSA-N 417.510 1.809 30 10 HDEE CC(C)(CO)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccs1 1163440450 ATBVAVOQFCCKMS-QGZVFWFLSA-N 407.517 1.774 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1175354960 SQJCUNQYUPSANQ-CQSZACIVSA-N 414.365 1.147 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2Cl)CC1 1175514881 KBCWJRCNNTUTEC-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1179423217 QBRRXDVMLBSODM-UHFFFAOYSA-N 406.460 1.032 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@H](C#N)CCC#N)C3)[C@@H]2C1 1197219925 DOPVQWQDBASMFS-NXOAAHMSSA-N 403.483 1.944 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OC 1213384724 BUDISPGIKIVPAC-AWEZNQCLSA-N 408.473 1.373 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1F 1265515417 UICCSRGIMUWWKB-AWEZNQCLSA-N 403.391 1.341 30 10 HDEE C#CCN(c1nnc(CC)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286391022 BIGNZSDJFPHSCC-PWECECGKSA-N 400.570 1.014 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1286507795 CFRDAGAIQSDZBF-MAUKXSAKSA-N 411.487 1.886 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1286547515 OUAYYCUJGSBZOF-KKUMJFAQSA-N 415.585 1.423 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1286607357 GFLPIWRTDQRWSQ-MRXNPFEDSA-N 401.515 1.831 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC=C(c2ccc(O)cc2)CC1 1286781563 UJXQHLQSVGPCAY-UHFFFAOYSA-N 424.505 1.718 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286786447 SBDRQBPHFIOOFS-CQSZACIVSA-N 422.411 1.585 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)nn2C)C1 1286804443 NJPGLHQPJBULDB-RXVVDRJESA-N 416.526 1.802 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)NC(C)C 1287468363 CFBHMULSSHTINW-UHFFFAOYSA-N 424.553 1.985 30 10 HDEE COC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 1288916787 ZGLVURYNQFNVQT-NJAFHUGGSA-N 414.462 1.321 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C(C)C)N1CCOCC1 1290865011 HWWFJQYJNWKBHX-HXUWFJFHSA-N 424.553 1.537 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1294841620 FFAYCHTYZGRKFS-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)cc1 1296269823 GVTKMIYUXGKOEX-UHFFFAOYSA-N 423.521 1.954 30 10 HDEE CN(CCC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298639446 GCNWZAQBPYXGBZ-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300320674 HIUYSRDKZQUPCG-RCCFBDPRSA-N 402.543 1.358 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1300456117 UZIFCPZEAVPNKE-KRWDZBQOSA-N 414.510 1.432 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1300457428 CYSZNWZZGPRRRL-MSOLQXFVSA-N 422.489 1.464 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(C)=O)nc1 1300505773 IWPFQOXRSKMRBC-UHFFFAOYSA-N 421.505 1.671 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C(C)C)CC1 1300700590 SNPIGTYWXMVXQC-SFHVURJKSA-N 402.543 1.090 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300996981 LHCRVKYUCKNSLW-GOSISDBHSA-N 403.527 1.651 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1301258438 SIYYVNCHIAFFBL-AWEZNQCLSA-N 407.496 1.324 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1nnc2n1CCCCC2 1301423875 CNNKEJZQVDOQKT-INIZCTEOSA-N 401.515 1.787 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1301508429 LGAHCCADZQWTBQ-UHFFFAOYSA-N 424.505 1.201 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301520075 BOIYEFPQBHFHGE-XLMAVXFVSA-N 405.543 1.706 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC2CC2)C1 1301567411 WWDYVHCYAWZYMB-KRWDZBQOSA-N 416.551 1.941 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1302026523 GPSZCNSWCXYEME-YKCBXCCJSA-N 423.489 1.782 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Sc2ccc(Cl)cc2)CC1 1302921919 YWKAPVZZQJVQLI-ZDUSSCGKSA-N 401.941 1.432 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@@H]2COCCO2)CCO1 1303010382 UWZPIDXQYDZDBQ-RTBURBONSA-N 413.478 1.434 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1307833228 COASXWXUTFZDTA-IAGOWNOFSA-N 418.567 1.193 30 10 HDEE N#Cc1c(F)cccc1N1CCN(c2nnc(C3CC3)n2CCOCCCO)CC1 1316531428 JESSGGYLZKZEID-UHFFFAOYSA-N 414.485 1.892 30 10 HDEE C=C[C@H](CC)CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1355871912 XVMAPTZDTGHUKU-UKRRQHHQSA-N 400.522 1.693 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)NCCN2CCOCC2)cc1 1355998236 RHJJBBLQJJIGKL-LJQANCHMSA-N 402.495 1.158 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1358881056 YGZKPQIRFAIAIS-HNNXBMFYSA-N 419.493 1.438 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(=O)(=O)CC 1358941092 XZUXPPSUNQTQAI-UHFFFAOYSA-N 414.329 1.550 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358963075 BGWBABPBZSKPKI-QGZVFWFLSA-N 402.520 1.857 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1 1358978855 WMCSLKRXADMGPY-SFHVURJKSA-N 404.536 1.460 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CCC)OC)CC1 1359034164 GCMYGEONIWOWHX-INIZCTEOSA-N 414.510 1.576 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nccnc2C)CC1 1359044857 QDWSRYLBPUVZHP-SFHVURJKSA-N 423.521 1.089 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1359275945 LWXWTEATKLRYMI-GOSISDBHSA-N 415.494 1.758 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359296903 YIRNXXMVGKUKTE-KDOFPFPSSA-N 413.478 1.837 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359303379 MAMWFRYUYLULOF-HNNXBMFYSA-N 404.515 1.590 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359304934 OEOQVHKEFBBZEF-UHFFFAOYSA-N 408.503 1.174 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)C2CCC2)C1 1359321487 HBCZZHVUYSWLHD-QZTJIDSGSA-N 403.527 1.870 30 10 HDEE N#CCOc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1441541838 BECTZFRNIZFTLE-UHFFFAOYSA-N 417.443 1.667 30 10 HDEE N#C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1449523867 MDSHRMMZTZLWGD-GFCCVEGCSA-N 424.276 1.864 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3)C[C@@H]2C)C1=O 1450265753 QXBRTNJFYMCSHW-ZDUSSCGKSA-N 404.854 1.354 30 10 HDEE COC1(OC)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H]1O 1452109690 BREJPERAYDWZRF-CZUORRHYSA-N 407.854 1.147 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2c(C(C)=O)oc3cc(C)ccc23)CC1 1455114738 ILVBTSNZCGWMFL-UHFFFAOYSA-N 417.487 1.098 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 1456677909 WGOCAXDWQNLYDP-HNNXBMFYSA-N 414.466 1.818 30 10 HDEE CN(c1nc(N)nc(C(F)(F)C(F)(F)F)n1)[C@@H]1CCN(CC(F)(F)F)C1=O 1458177955 CVORTEZFTXDJRA-RXMQYKEDSA-N 408.253 1.707 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC3(C#N)CCOCC3)nn2)C1 1458189721 ONWXBEUJYRHDNO-CQSZACIVSA-N 404.471 1.653 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nnc(C(C)(C)S(C)(=O)=O)n2)c1 1459289902 IMEVGSYERLAODC-UHFFFAOYSA-N 404.496 1.517 30 10 HDEE C=CCn1cc(CNCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)nn1 1461591692 LKNPSFHVIZPDOH-UHFFFAOYSA-N 401.467 1.000 30 10 HDEE COCCn1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1C 1464257018 CXAVINHWSWBGAX-PYCFMQQDSA-N 419.507 1.903 30 10 HDEE Cc1cccc(N(CCC(N)=O)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1464570079 HKKSCTUUVMNWAX-UHFFFAOYSA-N 400.460 1.054 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCOC[C@H]2C(=O)OC)cc1OC 1465601732 VTUUVFWMIXPAMJ-INIZCTEOSA-N 408.451 1.625 30 10 HDEE O=C(NCC#CCO)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1467503746 LGGPLSRHHWLUDV-UHFFFAOYSA-N 404.875 1.817 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](c3cnn(C)c3)C3(CO)CCC3)cc2C1=O 1468340689 KVHXPFJXOCVEFR-GOSISDBHSA-N 408.458 1.836 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCc3cc(C#N)ccc32)C1 1468914918 HMEMJFRNELZIND-INIZCTEOSA-N 419.503 1.872 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 1469041353 XTFJLWBHADZLFO-UHFFFAOYSA-N 423.926 1.159 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1471409115 ARUKSTXFKMBXRD-IBGZPJMESA-N 408.458 1.907 30 10 HDEE C#CCC1(NC(=O)CS(=O)(=O)c2cccc(Br)c2)CCOCC1 1471931077 MXBHCKTZGUJCRI-UHFFFAOYSA-N 400.294 1.912 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)n1 1479365414 JEFPOFBDWPWGJH-MEZWHVQBSA-N 404.511 1.647 30 10 HDEE CC1=CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1492618545 NIZRYRCSMUYSJH-QZQOTICOSA-N 419.489 1.947 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@H](C)O1 1494235741 JMUHZYZPYXSURK-GJZGRUSLSA-N 403.508 1.865 30 10 HDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1)OC 1497170843 BQBJKYRCLZOUSQ-WMLDXEAASA-N 420.539 1.821 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1503279992 NVPOZKLMGWHJOC-MRXNPFEDSA-N 410.544 1.241 30 10 HDEE CNc1cc(N2CCC[C@H]2Cn2c(C(C)C)nnc2N2CCO[C@H](C#N)C2)ncn1 1503828964 DKCANHRUKMSHQD-JKSUJKDBSA-N 411.514 1.631 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC2CCOCC2)cc1 1505314794 BENFXKKGKOTGEC-SFHVURJKSA-N 424.505 1.714 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1507623582 ZENZZKQXWGVRPR-FHWLQOOXSA-N 404.559 1.098 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507636520 ADKVFBSDTYLLHT-XWTMOSNGSA-N 422.551 1.571 30 10 HDEE C=CCCCCn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1507925766 KDPPGARHPXOSOI-UHFFFAOYSA-N 407.544 1.496 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCCC2)CC1 1508088246 ABCLNOZBNOWXHC-QGZVFWFLSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(Cc2ccccc2)CC1 1508095704 ZPYLFXRRFQLTNA-UHFFFAOYSA-N 412.538 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1nccs1 1508143142 DZRHIHVTWZWUAR-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1508143703 JLARESJIGZPUOF-FTRWYGJKSA-N 424.567 1.604 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1515958039 FOGQLLJOGQLFMD-OAHLLOKOSA-N 423.521 1.646 30 10 HDEE C=C(C)CCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1522314951 OEYIPWWTACSJKL-UHFFFAOYSA-N 420.535 1.609 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)CC3(C#N)CCOCC3)cc2)CC1 1524922963 KIQVZIZUTIXRKQ-UHFFFAOYSA-N 406.508 1.272 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)CCCNC(=O)OC(C)(C)C)C1=O 1526969204 SVXLIDUVYVKKES-UHFFFAOYSA-N 410.471 1.163 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1539169017 PDSLACNPYAUGLM-HXUWFJFHSA-N 404.518 1.968 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539221077 YEJJLUOKGCWLFA-YLJYHZDGSA-N 408.568 1.918 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnn(CC)c2)CC1 1539459300 CQDOSHYMPHDWTL-UHFFFAOYSA-N 419.533 1.920 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 1539474856 RTBOPDJPPAEMAZ-QGZVFWFLSA-N 408.543 1.306 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ncccc3C#N)CC2)cn1 1540523189 XUXYHUXACUWWNZ-UHFFFAOYSA-N 423.477 1.730 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540868594 KOOTZFGCSZIZTR-UHFFFAOYSA-N 407.482 1.000 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1540874547 KIRXPXKFWMYJEB-UHFFFAOYSA-N 424.505 1.894 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540902253 FADMTMHBZWPGJL-BRWVUGGUSA-N 412.556 1.634 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C\CN2CCOCC2)c1 1544409344 NPFOXPBDFWXVFI-XUUGJYTOSA-N 406.508 1.326 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1547313911 SJRXMXMIANMRHM-ZWKOTPCHSA-N 421.505 1.352 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)N1CCOCC1 1555633298 OJCQXHSATDLNCK-MSOLQXFVSA-N 420.558 1.853 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCC1 1557065929 ARKSKCJRVGPNTI-HNNXBMFYSA-N 407.492 1.038 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2cc(F)ccc2F)s1 1558802058 WAARKBFYGTXAHX-HNNXBMFYSA-N 416.471 1.883 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1564728986 NDIDTIYRZFTIRF-GFCCVEGCSA-N 422.334 1.999 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CCc3ccncc3)CC2)c1 1586519749 BUSOBNGTBAZLEC-UHFFFAOYSA-N 414.531 1.546 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1586612625 WULNULAYNXTDSS-HUUCEWRRSA-N 415.918 1.918 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1588074335 MABSUOZSNUJAOS-GOEBONIOSA-N 406.533 1.866 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](C)C1 1588388258 ZLMWLAHVOIGUGY-ULQDDVLXSA-N 409.556 1.507 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC2(O)CCOCC2)CC1 1588923973 SGJZYEOARHDTED-UHFFFAOYSA-N 401.511 1.053 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(C)no2)CC1 1588954262 CHXMRTDZANMFKK-UHFFFAOYSA-N 419.489 1.574 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589060212 OOSNVAPNECJLPU-VQIMIIECSA-N 424.592 1.901 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCC2)C1 1595608284 QCKMCIJGGXGWIF-RDJZCZTQSA-N 405.499 1.064 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1[C@@H]1COCCN1c1[nH]c(=O)n(C)c(=O)c1C#N 1612240857 CZOHIIVBWZUEMA-KRWDZBQOSA-N 406.446 1.326 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1618487424 DHKRQSMEXMBKPU-XMSQKQJNSA-N 415.586 1.938 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1619614253 GIPQRTLZNGTBRO-ZWKOTPCHSA-N 416.457 1.143 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1619816867 ALKBZXHGVUZVSB-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1620025595 QWSAUCIUDPTMRZ-RDJZCZTQSA-N 415.498 1.240 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H](CNC(=O)OC(C)(C)C)C3)CC1 1620522035 YAUPAIDUKFMECG-FHWLQOOXSA-N 404.555 1.389 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1622277933 HLHYITOVLDMGFA-ZDUSSCGKSA-N 424.466 1.951 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)CC1 1623163331 RRZYKZJBIRJRIK-HNNXBMFYSA-N 401.463 1.750 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1Br 1623302762 VFVVIURJNWWECQ-CYBMUJFWSA-N 412.309 1.266 30 10 HDEE Cn1cc(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2=O)cn1 1629186479 ZHGRYHJXOZCXOB-OAHLLOKOSA-N 404.471 1.182 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)s1 1630283794 KUTFGAFCGRPSBK-UHFFFAOYSA-N 406.489 1.034 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC4(CC3)CNC(=O)N4C)ccc2c1=O 1630613719 DZOBTMMIMIVOBR-UHFFFAOYSA-N 413.503 1.501 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NCC2CCN(CC#N)CC2)N(C(=O)OCc2ccccc2)C1 1633568675 WSQHBPBAWROFBA-UXHICEINSA-N 414.506 1.764 30 10 HDEE COC(OC)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1634993673 VLLFAZPYPJGWOF-SFHVURJKSA-N 403.460 1.313 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(O)(COCCO)CC2)CCCN1C(=O)OC(C)(C)C 1635151725 PTNBFJBQXLSFQB-OAQYLSRUSA-N 410.511 1.142 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC1CC1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1635378078 CRSBQTZWQAQAPQ-AWEZNQCLSA-N 404.471 1.750 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCCN(CC(=O)N(CC)CC)CC2)cc1 1635494581 KIUQNFILTIDHQY-UHFFFAOYSA-N 400.523 1.784 30 10 HDEE C#CCOc1ccc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1637699284 RLAGHFKMFBQNFU-UHFFFAOYSA-N 401.488 1.554 30 10 HDEE C[C@@](O)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(F)c1 1638727225 NIBHEIQLERTMMC-XMSQKQJNSA-N 424.432 1.926 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1638905743 BPQWKGFWWIMYCM-DLBZAZTESA-N 405.524 1.418 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](OCCOC)C[C@@H](CO)C2)CN(C(=O)OC(C)(C)C)C1 1639874209 SCCQKKUTSGJQMM-SJORKVTESA-N 412.527 1.672 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1cc[nH]n1 1640264454 BVMXVZJECHWLJQ-AWEZNQCLSA-N 415.450 1.097 30 10 HDEE C#C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1640925488 JKJDTDMNRMFGKM-SFHVURJKSA-N 417.531 1.830 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CSC1 1641188308 DZPSNIGUEHFHNH-CYBMUJFWSA-N 404.488 1.643 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1643303236 HCVZOHSZLGVDBA-UHFFFAOYSA-N 411.462 1.897 30 10 HDEE C#CCC1(NCC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CCC1 1644620416 VNEKNOAECJFIHF-UHFFFAOYSA-N 403.527 1.856 30 10 HDEE COc1ncc(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1C#N 1645094751 AVCORRJFSDXFCK-UHFFFAOYSA-N 411.237 1.624 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)C1 1645737284 AVSYWWVMOOHRFB-INIZCTEOSA-N 400.435 1.041 30 10 HDEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1646439309 APIHLBKPSYBYQU-AZOIQLNYSA-N 408.524 1.069 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 1648583405 TZMPPPGHIKTOOA-HMILPKGGSA-N 403.552 1.950 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1651789645 WJBMNLCWTULUAT-QGZVFWFLSA-N 401.486 1.146 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)cc1 1653120526 KVSCPHYKFLBODG-IAGOWNOFSA-N 421.519 1.985 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)N(C(=O)OCc2ccccc2)C1 1654363286 RADBYVMPPPKVPJ-AQNXPRMDSA-N 414.506 1.764 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1655142420 ZBDDIZCKMNKMJI-OALUTQOASA-N 412.563 1.898 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H](C)N1CCOCC1 1660119577 CLRKQEJIEUDIOG-QWRGUYRKSA-N 420.304 1.847 30 10 HDEE C#C[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1665156141 JXHQPLPVBGVSEI-QGZVFWFLSA-N 415.556 1.581 30 10 HDEE CC(C)(CNS(=O)(=O)c1cccc(Cl)c1C#N)[C@H]1COCC12OCCO2 1669662383 DUMVWABTSRXUIY-OAHLLOKOSA-N 400.884 1.906 30 10 HDEE N#Cc1nc(NC(=O)N2CCCC[C@H]2CS(N)(=O)=O)ccc1Br 1672173829 DLNFXLMWRRRBRC-VIFPVBQESA-N 402.274 1.391 30 10 HDEE C#CC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1672601038 FUAIQLYFEXYHQC-UHFFFAOYSA-N 407.492 1.784 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@@H](C)C[C@H](c3ccccc3)C2)CC1 1686773800 QRFWQGJFTIFWQS-YSIASYRMSA-N 418.563 1.754 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1687208557 OGZHMMLHRUXDRX-CJNGLKHVSA-N 413.312 1.946 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1689976620 RCLRZNDSGQIGEQ-QYWGDWMGSA-N 419.526 1.959 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689990145 MCLFQIFPWDSDQM-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689991935 DTBBDBJXNCIPDG-XLIONFOSSA-N 417.535 1.052 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@H]1CCS(=O)(=O)C1 1690098672 QLBIKLCVUKIRTF-QGZVFWFLSA-N 402.520 1.774 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCSC1 1690106245 OSTGKVTXYBFPDS-IBGZPJMESA-N 404.540 1.094 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(C(=O)N(C)C)CCCC1 1690108056 NPRATOJPBAGKGG-QGZVFWFLSA-N 403.527 1.864 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC)C1 1690237127 VRQUMUKTMFODPG-KURKYZTESA-N 419.526 1.347 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690343809 DUYILJROXLZCKI-KGLIPLIRSA-N 403.936 1.300 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(N)=O)c2)C1 1690699549 GPRRONGJTCMLAU-OALUTQOASA-N 411.506 1.905 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H](C)N2CCOCC2)cs1 1693352950 ODEPMFHQDVGOKB-AUUYWEPGSA-N 419.530 1.797 30 10 HDEE CC[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1693981354 GFEIPBKRRKFCOC-CABCVRRESA-N 414.601 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705630084 GGRSTVAPUPMJSR-SFHVURJKSA-N 424.549 1.985 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705818064 ZLGWNZBDLUBGFH-DLBZAZTESA-N 411.572 1.904 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705903283 SAVYFYATKBILCK-OAGGEKHMSA-N 402.499 1.069 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C2CC2)C1 1705928044 AHJFXQMNCZGIEI-SFHVURJKSA-N 413.526 1.447 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1722294724 HQXASAKQMDPQSV-UONOGXRCSA-N 405.524 1.972 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369297 XFCRJFLYHRYAHR-SJORKVTESA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnc2n1CCC2 1722384653 ZPMRYLNSPOBVSH-UHFFFAOYSA-N 407.428 1.806 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(CC)noc2C)CC1 1722430731 IWZLSCSBOKVGLI-QGZVFWFLSA-N 416.526 1.664 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1722432392 RVBZRZOECNWKDS-UHFFFAOYSA-N 412.494 1.772 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCC2CC2)CC1 1722457968 AIOXRZATZVPRPA-KRWDZBQOSA-N 403.552 1.991 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722462840 PDYRPTFDDHIJOG-OAHLLOKOSA-N 417.564 1.214 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1722466292 PCSXUGJIBYDJFA-XMSQKQJNSA-N 416.570 1.765 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(S(C)(=O)=O)CC2)CC1 1722559352 SZSAHSUEKIBBLF-UHFFFAOYSA-N 409.556 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1722697235 XVERUCVOWUNVRR-UHFFFAOYSA-N 417.535 1.569 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722701318 MOLKXRVBCOUJAT-UHFFFAOYSA-N 414.554 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CC#N 1722725510 PNGCKBHYCVGWNL-AWEZNQCLSA-N 417.495 1.265 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1 1723661401 OOYCMZHNEZAKIE-UHFFFAOYSA-N 400.508 1.911 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)C(F)(F)F 1723953777 GPBDRUQNFPYWMD-WDEREUQCSA-N 424.449 1.206 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(S(C)(=O)=O)CCC1 1726404346 OEDVQPHTXLTOAQ-UHFFFAOYSA-N 415.523 1.147 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOC(C)(C)C1 1730933161 OMWNXAFCMZUOIR-BZSNNMDCSA-N 420.558 1.709 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C(=O)Nc1cc(C)on1 1740288310 LKLMSHOONUTVNB-MDLJMBGESA-N 402.451 1.151 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1740550170 PLZWKYSIZWLXLK-MSOLQXFVSA-N 401.559 1.105 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740587391 INXWTZHNBGCMQQ-MRXNPFEDSA-N 418.523 1.179 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C1CC1 1740656885 OHVYQSADLPXPRY-KRWDZBQOSA-N 403.552 1.127 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1740951969 QUPDCIIVYRPHSN-JKSUJKDBSA-N 423.525 1.471 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1741004074 NWMUUXZBKMWEIH-HNNXBMFYSA-N 416.555 1.682 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1741051316 AHUZQCOGKFMQQC-OAHLLOKOSA-N 405.462 1.834 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1742002122 CFLHWVNBOJLHEF-KRWDZBQOSA-N 410.478 1.480 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1748634755 KIKPGHZZUZWPRZ-QGZVFWFLSA-N 423.521 1.252 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1748765803 UXELFSFZJSSXHM-RDGPPVDQSA-N 404.511 1.800 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1748766091 FJXPJSIZDKCXEQ-UHFFFAOYSA-N 411.466 1.473 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1748785192 NMCNXEIDYMGEGU-UHFFFAOYSA-N 400.464 1.098 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCC[C@H]2C)CC1 1748987280 RMCVXWQJYWBFAR-LJQANCHMSA-N 410.570 1.698 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(N)=O)cc2)CC1 1748990841 MLAPDPBLTWXHHZ-LJQANCHMSA-N 408.506 1.422 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749189604 MOQYVOHPZRKDAQ-MSOLQXFVSA-N 402.543 1.839 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1749219522 KKDNNVFALBWELY-OAHLLOKOSA-N 415.494 1.867 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1749230329 XAAHYCCCXRRUHV-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1749236018 YTVZAIUNDWNNPW-UHFFFAOYSA-N 411.572 1.685 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749502424 USOFGUHQUJVSDC-SFHVURJKSA-N 410.471 1.168 30 10 HDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749642381 AKPLMGZHXDRWEB-RHSMWYFYSA-N 402.451 1.412 30 10 HDEE COCCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749659649 GGGCLBVYTZXJID-SFHVURJKSA-N 415.542 1.394 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1749741091 OYODCSWBUZHIRQ-IBGZPJMESA-N 407.540 1.429 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1752410047 BUTVKHWODLALAF-HNNXBMFYSA-N 415.519 1.867 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1752561194 CZLXCWPIIVCIMK-DKXUYOFUSA-N 418.542 1.340 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1760137797 MWUKJMBYSWBMHN-INIZCTEOSA-N 407.540 1.076 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CN2CCOCC2)CC1 1760157546 SKWGRRKACTZPOE-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)NC 1760214401 MRKHSZNPRLYHLI-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1760234947 YFTNSDJVOOSHPE-IBGZPJMESA-N 403.490 1.982 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760438315 DXOIHMBZLCYFHX-SJORKVTESA-N 400.527 1.938 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760445173 BSHPVBNASSJFMW-BZSNNMDCSA-N 407.515 1.310 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1760488952 LAGHDNFOKBTJOP-HZPDHXFCSA-N 419.555 1.841 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C)C1 1760527627 CXEQSNWQMMYBSX-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE CC(C)OCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1761319624 MTSMGLAFSVFXEB-UHFFFAOYSA-N 421.509 1.697 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1762689974 BDJUCQGJDQKGCJ-HNNXBMFYSA-N 423.477 1.326 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1763253908 XABXDQLOSQXWCV-FUHWJXTLSA-N 423.521 1.490 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@H]2COCCO2)cc1 1770733210 TXXCZTMWYVQHSW-SFHVURJKSA-N 410.478 1.324 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771530656 QGQRTFFKFSABLH-QKLQHJQFSA-N 419.432 1.978 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Cl)cc1 1772566349 BPGAKAJZHWNDEV-INIZCTEOSA-N 416.913 1.864 30 10 HDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772794834 YFCDAZUYJZWSSO-UHFFFAOYSA-N 401.379 1.208 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)c1 1848720122 RSDBHWNLUNGPFN-UHFFFAOYSA-N 402.451 1.324 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CC1 1850279281 ZUYBRUKYGXBLAI-LJQANCHMSA-N 404.536 1.582 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCC(COc4cccc(C#N)n4)CC3)CC2=O)cn1 1850627122 FSFFKCXMDDYRKT-MRXNPFEDSA-N 408.462 1.357 30 10 HDEE COc1nc(C)c(I)c(C)c1C(=O)N1CCO[C@H](C#N)C1 1850965227 QYFNCNMLMHFROO-SNVBAGLBSA-N 401.204 1.676 30 10 HDEE Cn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851801452 AWSAQNHXYUJXGK-UHFFFAOYSA-N 417.429 1.440 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@H](C2CCN([C@H](C)CCC#N)CC2)CC1=O 1853896459 SPISHSJOXBDNFL-NVXWUHKLSA-N 414.506 1.787 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1853947938 AQOSQHBCEMFYGI-YOEHRIQHSA-N 423.922 1.656 30 10 HDEE Cn1cnnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1854010801 NFJLZVDJZXBJAG-QGZVFWFLSA-N 406.490 1.945 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)C[C@H]3C3CCOCC3)C2=O)cc1C#N 1854217609 FXCSSGSUQYZJQP-SFTDATJTSA-N 410.518 1.650 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCCC)cc2)C(=O)[C@@H]1C 1854331030 SDIWQTZKXWFJKC-INIZCTEOSA-N 407.536 1.966 30 10 HDEE Cc1cc(N2CCN([C@@H]3CCCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)ncn1 1854334575 NBVAWCCZIHOGIW-LJQANCHMSA-N 404.474 1.610 30 10 HDEE CON(C)C(=O)C1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1854579230 JZVLZUOKRZPKIN-SFHVURJKSA-N 412.490 1.208 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)c3ccccc3-n3cnnn3)C1=O)CC2 1855036446 ZKOYCAIBKVADCD-QAPCUYQASA-N 405.462 1.419 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855267313 SMYFEYQCWWRCAZ-SFHVURJKSA-N 407.536 1.966 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)CC2=O)CC1=O 1855293205 PPJAPPJVEIVHAL-OAHLLOKOSA-N 403.866 1.228 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(CC)no3)C3(CCCC3)C2=O)CC1=O 1855489975 UCYVHOMJCNFGSU-MRXNPFEDSA-N 414.506 1.755 30 10 HDEE C=CCCN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)C1 1855495217 MIUPNUXBNHPEDY-QGZVFWFLSA-N 422.551 1.039 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4)[C@@H](C)C3=O)nc2n1 1855636944 XJRVSJLFNWJEKC-HNNXBMFYSA-N 403.446 1.486 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCCC[C@H](N3CC(Cn4cncn4)C3)C2=O)cc1 1855885197 CFKORFOWVMIOMW-FQEVSTJZSA-N 406.490 1.622 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nn2C)CCN1CCC#N 1856196961 GMIKUTGCXHQGTQ-AWEZNQCLSA-N 409.446 1.445 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ccnc(Cl)c3)C2)C1 1856410877 RVVIMDJZIUJKQP-CYBMUJFWSA-N 411.849 1.754 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCC3)C2=O)cc1 1856436435 KKCUSNWHUUHNSF-UHFFFAOYSA-N 401.488 1.577 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)CC1=O 1856816945 VCVWBSFBVURCLF-YOEHRIQHSA-N 407.467 1.276 30 10 HDEE Cn1cncc1C(=O)N1CC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1856972603 VVQRLYMBXJEQBT-QGZVFWFLSA-N 408.462 1.219 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccccn3)C2)CC1 1857381779 UGEDWDIEJDRYFP-QGZVFWFLSA-N 404.474 1.549 30 10 HDEE N#Cc1ccc(N2CCN([C@H]3CCN(C(=O)c4ncc(Cl)cn4)C3=O)CC2)cc1 1857440702 OXJIGDOEVQEWGY-KRWDZBQOSA-N 410.865 1.565 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@H]4[C@@H](C3)C4(F)F)ccc21 1857461360 QWNXBOIUUJRHIY-UONOGXRCSA-N 409.414 1.682 30 10 HDEE O=C(/C=C/c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860636167 NXSJKKVZXKXERX-GQCTYLIASA-N 411.374 1.829 30 10 HDEE Cc1cc2nc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)cc(C3CC3)n2n1 1867167270 WXIJTXOWXYYBJQ-KRWDZBQOSA-N 404.430 1.516 30 10 HDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1880980489 SKIUIRWLTDEPOQ-CYBMUJFWSA-N 401.379 1.135 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)ON3C(=O)c4ccccc4C3=O)(C1)C2 1881650847 CCURMCHLYGDKFO-BGYRXZFFSA-N 402.403 1.815 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889054809 AAIRYWHBQCPFPP-VQTJNVASSA-N 416.547 1.400 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1CCCOC 1890936286 FIVIWAPKIVDUJS-GASCZTMLSA-N 400.479 1.398 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1891453723 UKZSRCAOPHNKTN-KRWDZBQOSA-N 416.441 1.642 30 10 HDEE C#CCNC(=O)CCNC(=O)C[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1988008648 WUDDXMYVNSZKHE-SFHVURJKSA-N 417.506 1.742 30 10 HDEE Cc1nc(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)cs1 2092622890 VZNVJPLIIWUSKA-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CSCC1(NC(=O)OC(C)(C)C)CC(O)(C(=O)C2=CCS(=O)(=O)CC2)C1 2230786621 ZUJYPRXGZATEFN-UHFFFAOYSA-N 405.538 1.452 30 10 HDEE CN1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)OC(C)(C)C)C1 2243429465 CSTUGWHDZNBAIY-HNNXBMFYSA-N 407.320 1.289 30 10 HDEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827295 HALFYCNBSLCEHI-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@H](C3OCCO3)C2)OC1(C)C 2255949812 BCUGYRWSLRKVPB-LBPRGKRZSA-N 415.342 1.431 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167685 IMHVYBVYLMUOMC-DLBZAZTESA-N 410.492 1.825 30 10 HDEE C#C[C@]12C[C@H](CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2273227390 FHBWEHIUBVCSCZ-HLIPFELVSA-N 420.487 1.272 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNC[C@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305376 XZLABLIOSUIHGC-NEPJUHHUSA-N 404.338 1.334 30 10 HDEE C[C@H](N)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282488418 CQDQKCOIENHREQ-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@]23CCOC3)OC1(C)C 2282504960 WSOBAICKOPKFTP-INIZCTEOSA-N 400.331 1.137 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(CCCN)C2)OC1(C)C 2282505985 LTXDGKILSHEXNR-UHFFFAOYSA-N 400.375 1.548 30 10 HDEE COCC[S@](=O)CCNC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282599460 SKIICXNHRMFRPV-AREMUKBSSA-N 401.359 1.481 30 10 HDEE C[C@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282830382 SRUIRLASPZQZPB-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE CN(C)[C@@]1(C)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282851981 JTFRCOBZJBNXJT-KRWDZBQOSA-N 400.375 1.762 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCC[C@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282866553 LNBWOWRRJQICGC-OLZOCXBDSA-N 400.375 1.822 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282869861 JIOWUMVQYQSCOJ-STQMWFEESA-N 401.359 1.686 30 10 HDEE CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870158 NSCJDAYBVGQLEF-STQMWFEESA-N 403.331 1.130 30 10 HDEE C[C@@H]1C[C@@H](CO)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880478 JOGIYQCWEJBYBP-CHWSQXEVSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](C(=O)O)C3CCC3)c2)OC1(C)C 2284404476 YZWHESSATJLNPR-CYBMUJFWSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CC(F)F)C(=O)O)c2)OC1(C)C 2284405963 RSQYXODRHLYYMP-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(C(=O)O)CCC2)OC1(C)C 2284409454 JLDGZEOGIOTBOH-UHFFFAOYSA-N 401.315 1.581 30 10 HDEE COc1cc([C@H]2C(=C(O)c3cccs3)C(=O)C(=O)N2CCOCCO)ccc1O 2296944615 APCSXNCAMNJRKN-KRWDZBQOSA-N 419.455 1.893 30 10 HDEE CCc1csc(C#C[C@H](O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)n1 2351780203 CQTIRWXSYAUHSJ-ZDUSSCGKSA-N 400.522 1.452 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CC[C@@H](C#N)C1)[C@H]2F 2358233474 GPGPMCRUWRBDIP-AIEDFZFUSA-N 402.492 1.545 30 10 HDEE CC(C)(CNC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2362571061 HZFMNSWALUZKLA-UHFFFAOYSA-N 402.347 1.243 30 10 HDEE CN1CCC(C[C@H](O)C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)CC1 2365181116 UXQMKBIJQPYJRQ-OAHLLOKOSA-N 402.557 1.553 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365214923 FPTQLILYFVGURD-ZRGWGRIASA-N 400.541 1.414 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2367788797 QMRSJESZXGFPGE-XQQFMLRXSA-N 411.442 1.973 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367791767 ZSFZDFAPAMTSHX-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H](CC)NC(=O)OC(C)(C)C 2367824765 MZKKTVZMPBJJDT-XHSDSOJGSA-N 402.557 1.599 30 10 HDEE C=CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCO3 13792051 LHNVUKMETPQEQE-AKDSAVJFSA-N 423.516 1.716 30 10 HDEE Cc1cc(N2CCN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)CC2)nc(C(C)C)n1 53595276 JCSDCPNWKVPHBE-UHFFFAOYSA-N 409.494 1.302 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)OCC(=O)NCc1ccccc1 243274921 KXCVHYYIOWHCES-UHFFFAOYSA-N 418.471 1.844 30 10 HDEE N#Cc1nccc(-n2cnc(I)c2I)n1 307176903 HGDLEQRZEDBZBH-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 409533595 FKPUJUKJGYKJNK-HWWITLHISA-N 408.568 1.683 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 409586767 SENHKMRYEOFLPW-AWEZNQCLSA-N 414.915 1.199 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)n1cnc(C#N)n1 409623420 RNRWECSCLHSRCO-ZWKOTPCHSA-N 408.510 1.167 30 10 HDEE C[C@H](C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409902220 FIBBWVMKZJUROI-MJGOQNOKSA-N 421.505 1.046 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 434382732 HFXMAKUCECYWPA-DZGCQCFKSA-N 406.426 1.926 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cc2ccnc(O)c2Br)CC1 445252474 KZMUVXAFWCAESJ-UHFFFAOYSA-N 402.252 1.708 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1C#N 489850354 NJMOLLZKJKXJIH-HNNXBMFYSA-N 406.489 1.003 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)CC)CC1 508498176 QAXLNFVOENESPR-QGZVFWFLSA-N 403.508 1.612 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1 508917819 LAPVORHZYBTHPJ-LJQANCHMSA-N 411.506 1.752 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)CC1 509724985 QZJSEESCQZOYBD-HXUWFJFHSA-N 418.501 1.630 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc2nccn12 509924210 HNFCPJUHCARFEW-UHFFFAOYSA-N 415.500 1.723 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 510584646 OOWCESLVNVBBQA-INIZCTEOSA-N 403.435 1.656 30 10 HDEE N#C[C@@H]1COCCN1C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 514894559 KDNNWELLVJMYDW-JRINFJIASA-N 417.465 1.217 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccc(-n2ccnn2)cc1 535189205 CPSHRQGKKLUMHC-HZPDHXFCSA-N 417.477 1.910 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC[C@@H](c2nncn2C2CC2)C1 540477397 CISFTIDWQAXBCD-GFCCVEGCSA-N 402.436 1.961 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC[C@H](OC(F)F)C2)CC1 549077167 DIAPEHBMAFKDDN-ZDUSSCGKSA-N 421.404 1.768 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 549287663 MBJXVMLOKNTHQG-HXUWFJFHSA-N 415.519 1.641 30 10 HDEE CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1ccc(C#N)c(Br)c1 551220531 OWWBUHJFDZWIIB-RISCZKNCSA-N 405.314 1.757 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCc3ccco3)n2CC(C)C)CC1 555348632 AFZBELFEKNRKHR-UHFFFAOYSA-N 400.527 1.737 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 558204739 BYMJGWHVLTZVAC-CRAIPNDOSA-N 411.462 1.828 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cn(Cc2ccccc2)nn1 558781378 QKEZIEKPFJXCTQ-HNNXBMFYSA-N 403.450 1.731 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCC2)CC1 558994786 KGRIQHYBHLHDHS-MRXNPFEDSA-N 410.588 1.777 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCC1 572563991 VAWPUOQWXQVZLH-UHFFFAOYSA-N 415.512 1.592 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 731213791 SKYFASSQXIYCCB-HIFRSBDPSA-N 418.437 1.885 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCN(C2CC2)C1 732165252 DGYAKEMCHBDJJF-WMZOPIPTSA-N 418.563 1.979 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 733673200 QZRDTVVSSZCLGF-UHFFFAOYSA-N 420.535 1.395 30 10 HDEE C[C@H](CC(=O)NCc1cccnc1-n1ccnc1)/N=C1/NS(=O)(=O)c2ccccc21 742521323 LGHSOECFUVGOAG-CQSZACIVSA-N 424.486 1.401 30 10 HDEE COCCOc1ncccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742631875 UUACMYGAZKZVIO-ZDUSSCGKSA-N 418.475 1.563 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N(C)CC(=O)NC1CC1 744840134 NFPDIUDOLQQGFJ-LIRRHRJNSA-N 401.463 1.630 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c1 748936904 LMCIYLGJGYPKFL-FXBPSFAMSA-N 419.507 1.338 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cn1 751922654 DUSPVVGEZHSGNR-GFCCVEGCSA-N 415.466 1.355 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752155250 MYGQRXZPVOYURG-CYBMUJFWSA-N 421.500 1.417 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 755188234 LFZFGOPDPNJMLC-LTGZKZEYSA-N 403.464 1.189 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2cccc(OC(F)(F)F)c2)NC1=O 758815181 JNTNXOPBUQAPII-GFCCVEGCSA-N 404.414 1.872 30 10 HDEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)n1ccc(=[N+](C)C)cc1 759050900 MZIROVYMYCNLGE-CQSZACIVSA-O 423.518 1.673 30 10 HDEE C[C@@H]1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1n1ccnc1 759468430 GLWRBXDQPBCDTH-ZBFHGGJFSA-N 401.492 1.421 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)CCCCC1 760408365 IYUKUASJGMSYNH-UHFFFAOYSA-N 410.517 1.913 30 10 HDEE C#CCN(C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)[C@H]1CCS(=O)(=O)C1 760453721 SMLQAWPXDYXQMD-MJGOQNOKSA-N 402.516 1.695 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 760778049 PVKLPGSWIVKVIG-JOCHJYFZSA-N 418.457 1.069 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3cnn(C)c3)no2)cc1 769073557 MRMFJZMAPMUHSQ-UHFFFAOYSA-N 400.416 1.344 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2ccc(C(=O)NC)cc2)C1=O 769108151 HYLIOTAEZNQNMK-LJQANCHMSA-N 424.523 1.911 30 10 HDEE Cn1ccnc1C(=O)[C@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 770869427 WIXHYKGQGDCXTI-MRXNPFEDSA-N 400.460 1.413 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CCc2nnnn2C)C1=O 771538710 OVUASASAQVMNFV-CQSZACIVSA-N 401.496 1.137 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncc3ccccc23)c1=O 772897591 JDVYTYPNHORAIW-UHFFFAOYSA-N 402.479 1.426 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 776475295 FUDJRJJTFOETGE-ICFOKQHNSA-N 404.789 1.316 30 10 HDEE COC(=O)N1CCC([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 776921160 PKTXXFASRAXFNU-HNNXBMFYSA-N 400.483 1.652 30 10 HDEE CC1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)CC1 779237472 ASZNAAZFPSAPFA-WUKNDPDISA-N 406.483 1.809 30 10 HDEE C[C@@H]1[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 779283289 UJPCEWXBORADCI-NERIXLHVSA-N 406.483 1.807 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 780204898 KPMNPNRRHZGPPL-YWZLYKJASA-N 409.442 1.999 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780855898 LHXZGDPEBJILPF-LJQANCHMSA-N 401.488 1.939 30 10 HDEE Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 789490309 BCTGJMZZXFJUPU-AWEZNQCLSA-N 414.416 1.503 30 10 HDEE C[C@H](O)[C@](C)(CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1 790332992 HWKKKIBODLHVPC-FOZPMILNSA-N 400.479 1.442 30 10 HDEE CN(C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(C)(C)C#N 796427016 VKGKGHARNZRINT-PBHICJAKSA-N 403.483 1.412 30 10 HDEE C=CCC(C)(C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 796473131 DXPKYIVTTOSRJK-UHFFFAOYSA-N 413.474 1.989 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 797386240 KWSDVXAANPICDT-UHFFFAOYSA-N 403.435 1.346 30 10 HDEE C[C@H](C(=O)OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)n1cnc(C#N)n1 798747300 GCAJUVFUMPLCOE-TZMCWYRMSA-N 408.374 1.818 30 10 HDEE CC(C)[C@H](NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCO2 798747355 HJFSZDIGATXVQU-DJJJIMSYSA-N 413.434 1.539 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809927878 GBBHGNYWCBQCDM-UZLBHIALSA-N 419.551 1.605 30 10 HDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CC)[C@@H]1CCS(=O)(=O)C1 812035423 TWVCXYISHLIXQQ-OAHLLOKOSA-N 402.476 1.363 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(CCC)cc3)C2)CC1 914445581 YREMLZZYHMXUNS-IBGZPJMESA-N 412.534 1.438 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccccc2[N+](=O)[O-])n1)Nc1nncs1 1083918936 QZRGSVAULRMACQ-UHFFFAOYSA-N 405.425 1.741 30 10 HDEE CCNC(=O)CCSc1n[nH]c(NN=Cc2cc(OC)c(OC)c(OC)c2)n1 1083957927 VCJMJXSONYSBPR-UHFFFAOYSA-N 408.484 1.895 30 10 HDEE CCN(CC)C(=O)CSc1nnc(NN=Cc2c(C)nn(C(C)C)c2C)n1N 1084186088 AVZYQZZIZJCKFC-UHFFFAOYSA-N 407.548 1.793 30 10 HDEE CCOC(=O)C1=C(c2ccc(OC)cc2)[C@H](C#N)C(=N)N[C@H]1[C@H](C#N)C(=O)OCC 1088645986 PYNCGHKUHCCZMK-MPGHIAIKSA-N 410.430 1.804 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2C)c1 1139201710 QKSFPCGWQHXZKF-UHFFFAOYSA-N 420.512 1.369 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1159761932 JOPJZSLNTVVKON-SNVBAGLBSA-N 403.298 1.250 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1F 1162584805 OCEKXAUXLZRFLL-UHFFFAOYSA-N 419.457 1.660 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCC[C@](C#N)(c2ccccn2)C1)[C@@H]1CCS(=O)(=O)C1 1175211040 IRZXSFIDLKJUCA-WAOWUJCRSA-N 418.563 1.753 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)NC(=O)[C@H]4C3)c2C#N)C1 1192937545 AJNXDNBLPBBTKN-SMDDNHRTSA-N 401.492 1.309 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(O)(COCCO)CC2)cc1 1199058833 JSZKDOFOANINFW-UHFFFAOYSA-N 417.506 1.869 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1199821513 NWVKPWFVEVAMGG-UHFFFAOYSA-N 422.551 1.516 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 1224765249 ZPUZKTANMBFJKM-UHFFFAOYSA-N 403.545 1.924 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(N4CC[C@@H](O)C4)CC3)CC2)c1 1230534329 DNXZQEZOKMAFEP-JOCHJYFZSA-N 411.550 1.763 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 1248677451 ZYLXBPUFMHZYIW-SFHVURJKSA-N 408.502 1.802 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3c(n2)OCCO3)cc1 1264644788 GDGAVAGRXYVEGE-XLNRJJMWSA-N 416.459 1.918 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@@H]4CCOC4)CC3)CC2=O)cc1Cl 1278489524 IFUHPUCNPLPCHW-NVXWUHKLSA-N 402.882 1.498 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286363940 VLADJYBZFDXYQA-RXVVDRJESA-N 405.543 1.356 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1ccn(C)n1 1286400413 FQUCBFPOYAQKGI-UHFFFAOYSA-N 412.295 1.901 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCC(=O)NC)CC1 1286476330 UBOKZASOLBRYBJ-UHFFFAOYSA-N 403.490 1.385 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC[S@@](=O)C(C)(C)C)CC1 1286480319 KWJXXOJGQKRESW-JYRCXFKTSA-N 407.584 1.822 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)C2CC2)CC1 1286491327 NFWMTNSQACIYFC-QHCPKHFHSA-N 422.533 1.391 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1n[nH]c(C)n1 1286569505 SOAQINQEXSBLPS-UHFFFAOYSA-N 419.497 1.992 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1286732012 ZEGHHTBNIAUAAT-MRXNPFEDSA-N 407.540 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286815864 AUTDEFWUVDKOHV-UHFFFAOYSA-N 409.472 1.134 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CC(C)C 1286820289 IWGMMKZJDVCYMZ-HNNXBMFYSA-N 418.585 1.263 30 10 HDEE C=CCSCCn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286832605 WTYFGRYYKXUNRE-SJLPKXTDSA-N 406.600 1.749 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1288099543 DGABEHWJPRRADM-HXUWFJFHSA-N 423.456 1.692 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br 1295048134 PQKHCRZEKZGGEY-YPMHNXCESA-N 400.298 1.768 30 10 HDEE CCN1CCN([C@H](C)Cn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1 1296135239 XMJHARMLBGGPOC-QGZVFWFLSA-N 413.526 1.752 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1296593082 MBBUQRGPUIZQCG-MOPGFXCFSA-N 419.327 1.845 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1297527687 UHJKZHVZQXYZPV-INIZCTEOSA-N 416.478 1.489 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)F 1300288462 BLNCIDJSWYUGCO-GFCCVEGCSA-N 407.421 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1300323162 XILVDKDVBMHAOO-UONOGXRCSA-N 421.548 1.162 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1300380974 KWUQZFAMUWWHMC-IAGOWNOFSA-N 408.572 1.366 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1300527402 HCNNRRSVDSEYIC-LJAQVGFWSA-N 413.503 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2ccnc2C1 1300590957 IWYMLNVHYUTDMS-SFHVURJKSA-N 405.506 1.323 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1300602400 QLQPNQITOUGTAO-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300981125 ZDSHOUSWXZMNDI-GOSISDBHSA-N 410.478 1.361 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(=O)NC)C1 1301163611 KSPXTZWRVMPKEX-BBWFWOEESA-N 421.542 1.556 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1302137796 FYRGGCVHWMGAEV-KRWDZBQOSA-N 423.477 1.481 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1302618053 LRGSWEINPKTBGL-UHFFFAOYSA-N 408.886 1.613 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1302999733 CWLAWQJAWAMCMR-MRXNPFEDSA-N 417.491 1.000 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1303790049 GZAGXIWPBRPWEI-IAGOWNOFSA-N 419.547 1.312 30 10 HDEE C#CC1(O)CN(C(=O)N[C@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)C1 1312148400 OPANCPSFYYTIGQ-GOSISDBHSA-N 420.437 1.847 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1313096558 CBPFVPTXALFSQS-ZWKOTPCHSA-N 407.536 1.733 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccc(C(F)F)n2)CC1=O 1314925456 CZODMXFBLZGJHN-UHFFFAOYSA-N 424.415 1.871 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1316022406 SGTTUSFMKZEQDR-UHFFFAOYSA-N 406.512 1.181 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1316045632 QAXOCBDSDAYFML-UHFFFAOYSA-N 414.466 1.654 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1316536297 GJAWJGKLUZHGRL-JKSUJKDBSA-N 420.539 1.184 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1323715965 RZNZNVQOKFUVBU-HZPDHXFCSA-N 420.487 1.427 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1358918020 IKTQXQFQUGLDDZ-WIYYLYMNSA-N 403.527 1.255 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358957439 URNBVKMNKXCCPM-IEBWSBKVSA-N 422.938 1.774 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1358963444 IESUYHDPTMQITA-OXQOHEQNSA-N 420.535 1.604 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1358969377 NXNNGTLCNFGESD-INIZCTEOSA-N 424.530 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@@H](OC)C(F)(F)F 1358970866 ZIGFZTKMXPJXIA-QAPCUYQASA-N 414.428 1.970 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccn(CC)c2=O)n1 1359027611 OXYZFTNVSYBXAD-UHFFFAOYSA-N 409.494 1.299 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359035970 JUICYPJBRPSSOE-LEWJYISDSA-N 414.598 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNC(=O)c2ccccc2F)CC1 1359041753 HLUONHRKLPOBTJ-UHFFFAOYSA-N 412.469 1.121 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359061469 CRNLOYFLLBKIRX-GOSISDBHSA-N 406.600 1.397 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](OCCOC)C1 1359083674 OUBYSNFTYCRDJT-UONOGXRCSA-N 401.305 1.932 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359130942 CMZSDPBMSDUYCD-GOSISDBHSA-N 413.526 1.486 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCSCC1 1359296463 KEYZJEJUNBPSES-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](CC(N)=O)C1 1359298964 QJNWZMJDEDAUFF-HNNXBMFYSA-N 421.505 1.820 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)COc1ccc(Br)cn1 1435551030 GBYANJQKRJSMEC-LBPRGKRZSA-N 417.267 1.622 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1454631001 DFIQHAHSVKYLOU-CYBMUJFWSA-N 402.455 1.313 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C1=O 1457228855 LMPAMCCJHBSUFL-HHHXNRCGSA-N 403.338 1.229 30 10 HDEE COc1ccc(C(=O)N2CCN(C[C@H](O)CC3(C#N)CC3)CC2)c(OC)c1OC 1459626236 NDMIGVVFKKOPCZ-OAHLLOKOSA-N 403.479 1.525 30 10 HDEE Cc1cccc([C@@H]2C(=O)NCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1461764822 DUBUPKQHMACOQJ-GHTZIAJQSA-N 402.454 1.919 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCCN3CCOCC3)CC2=O)cc1Cl 1464222996 LWHOHBREHKRCJA-INIZCTEOSA-N 404.898 1.793 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1465779244 AZGLWLVWPVYSTJ-UHFFFAOYSA-N 400.414 1.584 30 10 HDEE C=CC[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C(=O)OCC 1466783556 QQIZRKMOKHFHBR-HTOAHKCRSA-N 416.396 1.596 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1466821414 GTLQGFDILGWUTC-SFHVURJKSA-N 412.471 1.469 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@H]32)CC1 1467813598 BLOAYAJCJIHXAK-KFKAGJAMSA-N 416.319 1.228 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1470393669 FJRNTHQVTZVGHY-QFBILLFUSA-N 407.492 1.478 30 10 HDEE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1472371227 PBAFCUWEXXCTPM-UHFFFAOYSA-N 417.425 1.738 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)CC1 1473483884 MUZVTDJGIGVJLS-UHFFFAOYSA-N 421.383 1.282 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)cc1 1474764978 ASPMSNHORIJWJE-UHFFFAOYSA-N 415.537 1.271 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 1475242638 VIBQJYFDUHSHQZ-GJZGRUSLSA-N 401.529 1.434 30 10 HDEE C#CCN(C)CCCNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1477656492 PASHZDUVDVOUKF-UHFFFAOYSA-N 406.552 1.342 30 10 HDEE N#C[C@]12CN(C(=O)NCCOc3cccc(C(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1478350215 QHORBWPVRZINJU-XHDPSFHLSA-N 418.397 1.059 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1 1479313899 RKNYAWJNNHVNBS-GOSISDBHSA-N 418.925 1.670 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)O1 1497478222 VUHWMBXLZAPTRG-BASYENTBSA-N 412.560 1.832 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1505117136 ULFNFERPGDPQCH-LAUBAEHRSA-N 410.478 1.432 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507636524 ADKVFBSDTYLLHT-ZJPYXAASSA-N 422.551 1.571 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CCOC)C(=O)C1 1507796442 HXVMAXYNEGYACV-IEBWSBKVSA-N 403.527 1.822 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507832175 QYAWBQZHHMAJFW-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1)c1ccccc1 1507853471 DPQVNMFDPHPKTP-QFIPXVFZSA-N 408.506 1.989 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1)C1CC1 1507995395 JTDMPWUKARTKQJ-FQEVSTJZSA-N 416.551 1.491 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCCOC1 1508084038 FVZGNXWMRPSISY-KRWDZBQOSA-N 423.521 1.682 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)S[C@H](C)C1 1508093068 SQJZTJWBKLZYSC-IYBDPMFKSA-N 403.556 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC[C@@H]21 1508147702 LKNDDIKARWCOJI-QZWWFDLISA-N 410.540 1.592 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1516733891 QSSWAXDKHKEXGH-UHFFFAOYSA-N 423.477 1.374 30 10 HDEE C#CCN(C(=O)c1cc2cc(Br)cnc2n1C)[C@@H]1CCS(=O)(=O)C1 1530297886 PRYMLYPQUDKGDA-CYBMUJFWSA-N 410.293 1.598 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1535552434 DTVCSSKHRLHIJO-AWEZNQCLSA-N 400.294 1.864 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1539204757 DARSMEQVRAYWOO-INIZCTEOSA-N 404.492 1.279 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(COC(C)(C)C)on1 1539231875 XZPMSVNNCZLCMP-UHFFFAOYSA-N 412.494 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1539286057 UCENPMCMHRBMCQ-KRWDZBQOSA-N 421.526 1.858 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCS(=O)(=O)c2ccccc2)CC1 1539452174 NCSRYYQGNBRZOT-UHFFFAOYSA-N 415.563 1.706 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](F)COC)CC1 1539482086 RBZKOUBJFWPHHI-IRXDYDNUSA-N 407.490 1.122 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1539802910 BTZDHDMNLGUPSW-CQSZACIVSA-N 405.890 1.660 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539978083 WVVRJMGNGDEMEV-UHFFFAOYSA-N 412.560 1.291 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C)C1CC1 1540108932 MLCZMXLJAWCAJM-HNNXBMFYSA-N 402.524 1.676 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540871029 BTYVYHDLTKRKLM-HNNXBMFYSA-N 420.514 1.141 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1540872171 FUBIJTOBBPMETR-QGZVFWFLSA-N 401.515 1.573 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2ccnn2)CC1 1540872968 HZZNZLCXCXRJAE-UHFFFAOYSA-N 421.509 1.074 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540874247 ZIHPTVVPROWIRU-KRWDZBQOSA-N 410.522 1.423 30 10 HDEE C=CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1540911283 QJNLBGFTOCIRMR-AWEZNQCLSA-N 422.942 1.864 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1545162108 ILAVYAMCRLOOHK-AWEZNQCLSA-N 413.482 1.424 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1547250374 DIVBWYAQUZCIEU-SFHVURJKSA-N 421.505 1.544 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC2CCOCC2)CCO1 1555991999 CPIDAYMYEDLXRW-KRWDZBQOSA-N 402.499 1.450 30 10 HDEE Cc1ccc(C(=O)NCC2(S(C)(=O)=O)CCC2)cc1B1OC(C)(C)C(C)(C)O1 1556472207 DCODAXHBPMVFOV-UHFFFAOYSA-N 407.341 1.991 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1560077155 BMYRLFHIWSPHNE-XLIONFOSSA-N 418.563 1.494 30 10 HDEE N#C[C@@]12CN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@H]1CS(=O)(=O)C2 1560168265 FYRMNYLJEJRRAO-FNHZYXHNSA-N 409.458 1.326 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1 1569718634 XWPNCYVAPGERRO-AWEZNQCLSA-N 423.288 1.974 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 1583820730 KACBOWXGHYXCBQ-QFIPXVFZSA-N 413.474 1.566 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1586367742 DISSBUPUMRYONS-VTJXTGGHSA-N 422.478 1.200 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(OC(F)F)cc1)c1cc[nH]n1 1587617017 BUNDZOYFIKEVRI-UHFFFAOYSA-N 410.377 1.954 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1587697581 TYLVOOAYEHPZKU-SFHVURJKSA-N 400.527 1.622 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587999177 RXNHZHQJDPIJQJ-OALUTQOASA-N 422.512 1.679 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1588084682 UIIQDUFOBQEMFY-KGLIPLIRSA-N 411.478 1.397 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(N3CCOCC3)nc2)CC1 1588741596 FPVDJDCNHKEQBS-LJQANCHMSA-N 423.565 1.827 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCCN2CCN(CC)CC2)CC1 1588812777 UGKKYDKGESBWOH-UHFFFAOYSA-N 413.614 1.719 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1593682820 DJICCSIZSMJVII-RXVVDRJESA-N 405.543 1.807 30 10 HDEE C=C(C)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1593682839 DSLBJUJHGCPXQJ-NRFANRHFSA-N 405.543 1.807 30 10 HDEE C[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@H](O)CN1C(=O)OCc1ccccc1 1594797750 SBBWATPZIGZTFP-AVRDEDQJSA-N 423.473 1.643 30 10 HDEE C[C@H](CC(=O)NCc1nc2cnccc2s1)/N=C1/NS(=O)(=O)c2ccccc21 1595468993 PZCPOWPAJYVUPW-LLVKDONJSA-N 415.500 1.825 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1595602002 CVSNXACJQXIJAT-JFIYKMOQSA-N 421.542 1.351 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCC1 1595789125 NILAIZHWJJIJBP-UHFFFAOYSA-N 414.491 1.795 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc([C@@H]2CCCC(=O)N2)c1)c1cc[nH]n1 1596372801 HDRMAPQCWDRLRZ-HNNXBMFYSA-N 413.434 1.673 30 10 HDEE CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1597765603 CVCKKTDZABBDFJ-DLBZAZTESA-N 404.515 1.012 30 10 HDEE Cc1nccn1CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1612452949 YTBPNTNPYCEVAK-VQTJNVASSA-N 417.489 1.966 30 10 HDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 1613104693 NRCUTEBIQSUUNS-OAQYLSRUSA-N 424.482 1.966 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCSCC1 1614028542 HJXXAOFGHGJCJP-UHFFFAOYSA-N 412.567 1.483 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC#CCO 1626174100 KBZPBZDMMZUEFV-GOSISDBHSA-N 406.529 1.352 30 10 HDEE Cc1ccc2nnc(CNC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2c1 1626865773 VBCGMWDFUZKETF-INIZCTEOSA-N 417.429 1.431 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1628511408 YCFYFCPLIGIKOB-OAHLLOKOSA-N 401.467 1.301 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CN(C(=O)OC(C)(C)C)C1 1628741841 PALKQJCJBKMFPF-XCLFUZPHSA-N 406.483 1.294 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 1629219837 KCXHOOMRRISARO-UHFFFAOYSA-N 407.536 1.617 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1629236017 QCGJDUFBWGWHOA-MSOLQXFVSA-N 408.543 1.611 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)cc1 1633844577 XWBLRHHZPICNJR-UHFFFAOYSA-N 422.503 1.219 30 10 HDEE COc1ccc(CC(=O)N2CCC[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1634196661 FZZPOKVSUYPKAO-INIZCTEOSA-N 407.492 1.021 30 10 HDEE CNC(=O)N[C@@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1634458499 SMPXQBSTQDZJHA-OAHLLOKOSA-N 420.311 1.677 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 1634554524 CFQZCMSZPZFQRW-OAHLLOKOSA-N 417.307 1.763 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2CC(=O)OCC)s1 1634755101 AMCAMIWCPICEEM-ZDUSSCGKSA-N 400.522 1.699 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 1635949448 ZQAYKQITTVLVPE-INIZCTEOSA-N 419.482 1.984 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C(F)(F)c1ccccc1C#N)C1CCCC1 1638887404 LCTVGPFQXGCCBW-MRXNPFEDSA-N 414.478 1.721 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)c1 1644202951 VFNFPJRSPWCTME-UHFFFAOYSA-N 412.471 1.081 30 10 HDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(C#N)cc2)CC1 1644490088 BTNWMIHFWAHIPD-QFIPXVFZSA-N 404.514 1.992 30 10 HDEE CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028778 NORMFPYWKKANAE-CQSZACIVSA-N 405.455 1.143 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3cccc(OC)c3)C2)cc1 1648341010 CIIGXHZACPYVEV-FQEVSTJZSA-N 413.499 1.393 30 10 HDEE COc1ccc(C(=O)CCCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1648790702 RFFZGZMBXPNKNS-UHFFFAOYSA-N 410.430 1.656 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 1652459728 KSLKCGMPLRUHDJ-YLJYHZDGSA-N 400.523 1.363 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCC#C[C@@H]1CCCCO1)N2C(=O)OC(C)(C)C 1653545239 YLQSFKUNGNPMQJ-KFGODFMUSA-N 420.506 1.862 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](c4nnc(N)o4)C3)ccc2c1=O 1654756442 DQWKXLRMVLRWOF-GFCCVEGCSA-N 412.475 1.856 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(C(F)(F)F)cc3)C(=O)C2)CC1 1655234568 MNCJEMFPIYXNRW-UHFFFAOYSA-N 422.451 1.127 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)cc1 1655403029 PMIYALBDNVHITM-UHFFFAOYSA-N 407.513 1.960 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)n(-c2ccc(F)cc2)c1C 1655898436 JQYRYWMLONUZIX-SJORKVTESA-N 414.481 1.966 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 1657034657 GWJOGTKZRKTKEK-UHFFFAOYSA-N 408.270 1.920 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)N3CCC[C@H](C#N)C3)c2)CC1 1658995123 AGFQZKWTESEMTN-MRXNPFEDSA-N 405.524 1.780 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1660648440 YDORTGNZHPANPO-UKRRQHHQSA-N 406.430 1.084 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1662781997 DBOLSMFSECKYHR-PKOBYXMFSA-N 406.504 1.699 30 10 HDEE COc1cc(F)c(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1663733850 DALCUFMUFXCDRT-INIZCTEOSA-N 421.425 1.924 30 10 HDEE C=CCC1(NS(=O)(=O)c2cnn3cc(Br)cnc23)CCOCC1 1664934286 BJSQYVXJVZQFLU-UHFFFAOYSA-N 401.286 1.895 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)C1 1669559777 CRFWFUOWQPZJST-ZBFHGGJFSA-N 418.469 1.726 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(C(=O)c4ccoc4)CC3)CC2)cn1 1682311293 IAYLADCJKDFPSL-UHFFFAOYSA-N 408.462 1.683 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684077039 PZIXGEVAMBNXCJ-AEFFLSMTSA-N 412.471 1.786 30 10 HDEE C#CCN(C(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1)C1CCN(C)CC1 1685337000 VPGXOBMPRYUYGE-AZUAARDMSA-N 404.461 1.976 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(C)C 1686497795 CGJDYDMKVFSBGI-QRQLOZEOSA-N 405.495 1.218 30 10 HDEE C#CCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1689941298 LVUGOOGNKVCVIJ-LPHOPBHVSA-N 410.540 1.355 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1snnc1C 1690072703 QFBZDVPYMFHHMF-UHFFFAOYSA-N 420.502 1.860 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690326680 CCCRPFHGOVMXLT-UHFFFAOYSA-N 408.934 1.961 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1690410870 AEMDISOEZPDBAD-KSZLIROESA-N 424.567 1.634 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO)C1CC1 1690545360 PDSISJZOBSFEJL-FUHWJXTLSA-N 423.583 1.182 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690651261 FPZMAIMOACCAIX-UHFFFAOYSA-N 409.487 1.700 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1690669887 RLXCCQDMCAZVET-DOTOQJQBSA-N 402.543 1.979 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1=O 1698076444 LYCDRLYDOUTJBV-IEBWSBKVSA-N 424.505 1.537 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)C1 1698311281 POPXHVMICPIHOM-IAGOWNOFSA-N 422.555 1.194 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccs2)CCO1 1698493871 YTXNLFQMKBQQFX-UONOGXRCSA-N 402.480 1.350 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1705510463 QDCDYPCEJPSALM-HNNXBMFYSA-N 417.535 1.960 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccc(C)c1 1705548145 XKIOUZOORNVBNT-JOCHJYFZSA-N 411.506 1.738 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1705565329 UGMDRWVBXIOSMO-INIZCTEOSA-N 413.503 1.860 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1705612081 YNTAVWYXLAKOFH-MRXNPFEDSA-N 413.478 1.117 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705639323 LWSNCOKGOONTQV-LSDHHAIUSA-N 401.433 1.505 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705664794 BHEGRLIWZAMZTH-RRFJBIMHSA-N 400.570 1.754 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CCN1CCCS1(=O)=O 1705671031 SRCRPHXKUDPMTQ-LJQANCHMSA-N 403.508 1.874 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705717360 ILZGNLVYNGUOPT-UHHPSXQGSA-N 400.483 1.711 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)CC1 1705781910 KEVYYHJNBHTPHK-LPHOPBHVSA-N 410.540 1.388 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C)C1 1705895233 YXFBGQSRAXFMMC-INIZCTEOSA-N 412.494 1.675 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCN(C)C2)C1 1705926504 FLJNZEOBQWAXDV-REWPJTCUSA-N 411.550 1.911 30 10 HDEE CC(C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706300689 NPQBNCNDHISEPK-HTXNQAPBSA-N 414.510 1.935 30 10 HDEE C#CCCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722339835 YQMMQQZXOHNCGG-OAQYLSRUSA-N 403.527 1.837 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1722382517 HYHKECPVMOFLGF-OALUTQOASA-N 417.579 1.518 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1 1722505997 SSONUTVAFMHUMA-XLIONFOSSA-N 416.526 1.050 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1722557483 PANJRPWIAOGBNA-PBHICJAKSA-N 420.963 1.941 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)nc2)C1 1722718788 MYDVXTOJQNJDKX-QZTJIDSGSA-N 417.535 1.713 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1722718813 NJYFXDAXNSQMJX-HNAYVOBHSA-N 412.556 1.198 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC[C@H](O)C1 1729033116 HSPDXUGFEHEARF-YOEHRIQHSA-N 412.494 1.901 30 10 HDEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1729366920 MFMZSWNJYIKPDJ-DNZUHHBVSA-N 402.524 1.699 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1730629942 HQYPVXKPPRWQGX-OAQYLSRUSA-N 422.493 1.524 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCN(C)C1 1730761110 HMTOSRNHTWZHCH-FQEVSTJZSA-N 402.474 1.517 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740833987 FHONETDOQKRFPM-MRXNPFEDSA-N 424.571 1.243 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1741474340 GZNLNYJUBDMEFT-UHFFFAOYSA-N 413.526 1.469 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1741678167 BVOPVFMSYIUSJV-AWEZNQCLSA-N 401.471 1.479 30 10 HDEE CC1(C)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@H]21 1741993287 HGENUMGKEOIVEW-IAGOWNOFSA-N 414.535 1.848 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1748846931 MWYKMXZZVDCTSY-NRFANRHFSA-N 403.530 1.954 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cccc(C)c1 1748847980 ZXYKMPWARKFSRJ-HXUWFJFHSA-N 405.502 1.983 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCOCC1 1748956867 MJYOQHKEEDBSCA-SFHVURJKSA-N 408.506 1.623 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccco2)N(C)C)CC1 1748984052 KBNPXWMEYIRIFJ-LJQANCHMSA-N 405.506 1.991 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1748993863 OZPHEIGUCAWXQP-UXHICEINSA-N 401.555 1.818 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@H]2C1 1749023795 WTXMSRCLJYKLJH-CVEARBPZSA-N 407.540 1.180 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749023798 WTXMSRCLJYKLJH-JKSUJKDBSA-N 407.540 1.180 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749119169 OLFIATQKONXQQZ-SJLPKXTDSA-N 411.572 1.818 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)C 1749225219 CGDZXUZGIBJNMQ-UHFFFAOYSA-N 418.498 1.559 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC)C1CC1 1749519331 JGEGIRJTIMRPLH-OAHLLOKOSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749671205 ZQGDBDVYWADDRN-ROUUACIJSA-N 413.526 1.739 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1750217721 FQVPCTLOPYFWBL-SLQAJWMNSA-N 412.519 1.430 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1751003421 DKEWIUUIVKDEOT-QGZVFWFLSA-N 418.523 1.370 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760117335 ZJOMENAEOMOUTD-WBVHZDCISA-N 419.526 1.747 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1760138482 ZITZIKJZYUBPMD-YLJYHZDGSA-N 406.552 1.991 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760189962 MPMXSVPYELOVLK-LJQANCHMSA-N 419.595 1.589 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCOC2CCOCC2)CC1 1760264795 FTSOLXHQRYJMBV-UHFFFAOYSA-N 417.554 1.953 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(O)CCC2)CC1 1760264911 YVOYHPCSBKEMHO-UHFFFAOYSA-N 411.506 1.536 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccco2)CC1 1760265294 VWEZUVCMRNMWRO-UHFFFAOYSA-N 410.478 1.121 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)CCC)CC1 1760269367 GKSSYUZVTBINHJ-IBGZPJMESA-N 416.570 1.480 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760323420 CYGPTQKTSYYYSG-YLAKUSLOSA-N 403.527 1.589 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)NC)CC1 1760441958 AMMDVGZGVRFFAZ-UHFFFAOYSA-N 417.539 1.697 30 10 HDEE C=CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1760443804 MYGBMAWLCKZWTP-OAQYLSRUSA-N 421.542 1.580 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1760461549 YJFDIDXNIARVNH-OAHLLOKOSA-N 410.478 1.620 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1760542398 LXQCSSALNFPUTG-BRWVUGGUSA-N 410.540 1.531 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1762034149 GMRNKRHPAANIKR-HUUCEWRRSA-N 411.510 1.822 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CN(C)C2=O)n1 1762435529 VZTLFQDJEUNGHO-OAQYLSRUSA-N 410.526 1.748 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C(=O)N(C)C)CCCC1 1762612466 ZQASVISPNGRPIX-UHFFFAOYSA-N 422.537 1.828 30 10 HDEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1770469083 GOZQGVXYXFVEKP-CJNGLKHVSA-N 413.544 1.908 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1770733321 XVRZQQRZVYBZAQ-MRXNPFEDSA-N 416.432 1.943 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC2(O)CC2)cc1 1770738620 MHKRRWWTDALJAJ-MRXNPFEDSA-N 410.478 1.345 30 10 HDEE COC[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)OC 1770780378 CNAOVACBESYCGX-HUUCEWRRSA-N 405.430 1.386 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCNS(C)(=O)=O 1772516655 MHLCYPOKHFNCBR-UHFFFAOYSA-N 419.482 1.008 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1772790864 YALDIJOSCPYDSD-CQSZACIVSA-N 414.439 1.842 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)N1CCC(c2ncccc2C#N)CC1 1850480806 PXGRJKKFYLVPHU-UHFFFAOYSA-N 422.489 1.746 30 10 HDEE CN1C=N[C@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)C1 1851903295 VNNGGXBWFSQVDG-NSHDSACASA-N 406.187 1.387 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)CC1 1852033382 IEZBBRPQYSEDMM-UHFFFAOYSA-N 414.469 1.916 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccnc3nccnc23)cc1 1853079311 KRTKUIKKUXYRBP-SFHVURJKSA-N 419.441 1.833 30 10 HDEE COc1cccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)c1 1853385491 LNSBTOUKASNIAO-UHFFFAOYSA-N 404.434 1.208 30 10 HDEE Cc1ccc(C(=O)N2CCCN(C(=O)CCON=C(N)c3ccncc3)CC2)cc1 1853557448 ZGZXRBYXFKDRSJ-UHFFFAOYSA-N 409.490 1.792 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC2OCCO2)c2ccc(OC)c(F)c2)CC1 1853583749 MLBPKRCVCDZNSQ-UHFFFAOYSA-N 414.455 1.914 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1853729491 QQGDUNUURPDFCJ-HZPDHXFCSA-N 401.463 1.114 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccccc2)C(=O)C12CCCCC2 1854394618 AZMMBILCKBPRTA-UHFFFAOYSA-N 403.504 1.846 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)c1 1854722049 FCXBZBNMFSRKPF-UHFFFAOYSA-N 412.471 1.714 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)C1 1855019571 ROMXMXQXMITQGQ-YOEHRIQHSA-N 400.454 1.515 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)COc3ccnc4ccccc34)C(=O)C2)C1 1855019624 SWFIZNAAZOVEJW-KRWDZBQOSA-N 407.474 1.272 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4cccnc4)CC3)CC2=O)CC1=O 1855115999 RAWOCNRXUXXXDE-PMACEKPBSA-N 410.518 1.703 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)CC2=O)CC1=O 1855293204 PPJAPPJVEIVHAL-HNNXBMFYSA-N 403.866 1.228 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)c1 1855612807 YRFCHPHJGIPHSY-QGZVFWFLSA-N 401.488 1.751 30 10 HDEE C[C@H](C(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1)c1ccc(Br)cc1 1856254705 FKKIPGQWUBQFCL-GXFFZTMASA-N 403.254 1.565 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)cn1 1856454946 LHQXPQMMIWSELP-SFHVURJKSA-N 405.458 1.978 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cn3ccc(C)cc3n2)C1=O)[C@@H]1CCN(C)C1=O 1856734915 AURVWESVFJEJCO-ZWKOTPCHSA-N 409.490 1.493 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1=O 1856747966 CIZZSDGMVOSVNU-HUUCEWRRSA-N 403.504 1.801 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnnn1C 1857015339 CGAUONQLIDIGCX-AWEZNQCLSA-N 415.475 1.274 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2=O)C1 1857109298 JQRYMASQWYEPGP-FUHWJXTLSA-N 404.426 1.320 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1=O 1857150825 QMAUYFPWKQRQDI-SWLSCSKDSA-N 404.421 1.032 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCCC[C@H](N3CCC(CC#N)CC3)C2=O)c(=O)n1 1857196683 ZRTZFALZMPRXBM-IBGZPJMESA-N 413.522 1.784 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857229702 QXYWQSPOJSGMQZ-OALUTQOASA-N 417.550 1.677 30 10 HDEE CC(=O)[C@H](C(=O)N(C)C)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C12CCCC2 1857242273 CBWATHOGLXNYOZ-GOSISDBHSA-N 410.474 1.201 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ncc(Cl)cn2)CCN1CC(=O)c1ccc(C#N)cc1 1857496050 VFYLRHNBWSHRLK-UHFFFAOYSA-N 411.849 1.948 30 10 HDEE COc1cc(/C=C/C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 1860725173 XVGMEZNMZLIACD-RUDMXATFSA-N 420.443 1.581 30 10 HDEE C=CCNC(=O)[C@@H](CCCC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861600397 PRTNALGFLSALFK-DOTOQJQBSA-N 415.490 1.803 30 10 HDEE CC(C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCCC1 1869928334 USRIKFWBZBOMEM-SFHVURJKSA-N 406.552 1.742 30 10 HDEE C=CCn1cc(OCC(=O)NC(C)C)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870509369 AGXOOLAKUMTQRN-UHFFFAOYSA-N 420.510 1.212 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCCCCO)[nH]c(=NCCCCCCO)[nH]1 1871470953 PCQRYBHAACQUIG-UHFFFAOYSA-N 406.575 1.823 30 10 HDEE C=CCN(CC=C)c1nc(=NCC(C)C)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871506399 PQWTYUCXFHTETB-UHFFFAOYSA-N 417.539 1.931 30 10 HDEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593069 DGXNWASHFQRECC-AWEZNQCLSA-N 416.482 1.006 30 10 HDEE C=C(CNC(=O)[C@@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991972027 ZSNPOUTVLSBWMM-CABCVRRESA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174779498 JYLWJDHCCPTPCZ-NRRJATNASA-N 420.557 1.574 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2188832547 AMZXMVGRPLZVKE-ZSBFGKGUSA-N 401.529 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNS(=O)(=O)CC2(C#N)CCCC2)C1 2201301383 BKSCLOFBQMWUPM-GOSISDBHSA-N 401.529 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243392046 FMJYLAAIOXJSLK-CHWSQXEVSA-N 406.292 1.494 30 10 HDEE CON(Cc1ccccc1)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2243417161 MFXYVOCBLQDPTH-UHFFFAOYSA-N 421.328 1.780 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267367718 XVROFTSOVDEWQP-XMMPIXPASA-N 408.376 1.053 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCCC#CC(C)(C)C)NC(=O)OCc1ccccc1 2270506951 AZMQXIFSHQBHIR-QGZVFWFLSA-N 424.519 1.813 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](C2OCCO2)C1 2282007615 DBMLPQSVLLTICF-AWEZNQCLSA-N 405.304 1.253 30 10 HDEE CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282057260 DWHMXGQZSOENIT-LOWVWBTDSA-N 400.737 1.935 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282178474 NUXICKHLMSYQLL-AWEZNQCLSA-N 403.288 1.391 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](CCO)C1 2282317811 AJLWYCWHYYGCEJ-JOCQHMNTSA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282321174 TVXROEPEDJXJGD-RYUDHWBXSA-N 404.338 1.416 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H]2CCCO)OC1(C)C 2282338965 VCDPTRGSMSFRNE-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CC1(C)[C@H](N)C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353562 IHRSMBQLKAEODV-NWDGAFQWSA-N 400.375 1.699 30 10 HDEE CC[C@@H](C[C@@H](C)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415526 ITNYRMJJBFVYGZ-NEPJUHHUSA-N 404.363 1.411 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H](N)C(F)(F)F)OC1(C)C 2282417808 KHKSVKJTULZDJB-SNVBAGLBSA-N 414.280 1.356 30 10 HDEE CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282418654 PJHRZFKSSACIMM-SECBINFHSA-N 402.347 1.077 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)Nc2nc(O)n[nH]2)OC1(C)C 2282421460 OBIMTTOJQINZSI-UHFFFAOYSA-N 400.653 1.264 30 10 HDEE COCC1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282495358 LGQVNANBEPAHAB-UHFFFAOYSA-N 401.721 1.906 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2282587240 JZHWFPDCADNMHV-SNVBAGLBSA-N 402.347 1.304 30 10 HDEE Cc1sc(C(=O)NCCCNS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282656591 UTVGCLWCLZEGIR-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)[C@@H](O)[C@@H]3CF)c2Cl)OC1(C)C 2282662786 GDUYTEQJYUMHLQ-NHCYSSNCSA-N 405.684 1.216 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)[C@@](C)(O)C3)c2Cl)OC1(C)C 2282663235 MPMCDXWKOUEVOA-DIFFPNOSSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4[C@@H](O)C[C@H]43)cc2Cl)OC1(C)C 2282830258 QZQRCHIVPFOPQH-WCQGTBRESA-N 419.761 1.845 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(F)(F)CN)c(Cl)c2)OC1(C)C 2282831213 GQZRINGVOQLHMF-UHFFFAOYSA-N 410.679 1.512 30 10 HDEE C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282839905 JWGZEWYPTYCTMB-YPMHNXCESA-N 400.737 1.749 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCSC(F)F 2282851642 FCQNVWCZQYCVRR-UHFFFAOYSA-N 411.305 1.344 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N(C)C 2282877368 QKNDETJEVQMQNW-OCCSQVGLSA-N 400.375 1.618 30 10 HDEE C[C@H](F)[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398485 YPJZJTOSHRMCEE-ONGXEEELSA-N 407.294 1.278 30 10 HDEE C[C@H](F)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415616 YPJZJTOSHRMCEE-GXSJLCMTSA-N 407.294 1.278 30 10 HDEE C[C@@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284416412 XSCABJCKMUYKKG-ZYHUDNBSSA-N 401.315 1.531 30 10 HDEE COC1(C#C[C@H](N)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363539850 QXGASLWHSRWANT-HOTGVXAUSA-N 400.541 1.701 30 10 HDEE COC1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCN(C(=O)OC(C)(C)C)CC1 2367795584 FIQZLTDHBKZJJM-OAHLLOKOSA-N 401.525 1.734 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367832769 CMHJXWMPPKCRDO-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2ccncc2)/C1=C(/O)c1ccncc1 102542754 WQLHOAPXKMNDIP-HQMFNGAOSA-N 408.458 1.621 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccn2)C(=O)OCC)c1 428416748 AZADXSKOIKVFIH-GOSISDBHSA-N 417.487 1.450 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 429307038 IUAXYEOFPGFCIW-GJZGRUSLSA-N 416.478 1.567 30 10 HDEE N#Cc1ccc(S(=O)(=O)N(Cc2nnc3n2CCOC3)C[C@H]2CCCO2)cc1 435658922 DGIDWIGEDDHFRF-OAHLLOKOSA-N 403.464 1.050 30 10 HDEE COc1cc(Br)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1OC 471901724 VRWRDLJRCRUMNI-CQSZACIVSA-N 405.270 1.769 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 473208649 NHVZZPDZRMFKGR-KRWDZBQOSA-N 410.440 1.731 30 10 HDEE COC(=O)C[C@](C)(NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)cc1 476847664 LGDKBRGGBDMNQO-INIZCTEOSA-N 406.240 1.507 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCCN3CCCC3=O)c(C#N)c2N)cc1 477861666 LYIQOSKWGNWIPJ-UHFFFAOYSA-N 423.521 1.879 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 482836988 OQPXXUMANGBITR-DZGCQCFKSA-N 407.492 1.415 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)cc1 485938419 GBESLXBCEWOMLR-KRWDZBQOSA-N 402.472 1.824 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)CN2CCCC2)CC1 489145457 CRKGDEZOYDHPGQ-OAHLLOKOSA-N 415.563 1.675 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c1 489520674 WJJJDESAWDNXBV-GOSISDBHSA-N 416.459 1.363 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 508893312 GWMWLFRLYQSRMT-FJIDUMEYSA-N 405.568 1.677 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cscc2C#N)CC3)CC1 513594881 GKFKKQPMCPPDHK-AWEZNQCLSA-N 412.519 1.196 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C3CC3)c2=O)c1 538497744 MLIFWHYBBWQAKB-UHFFFAOYSA-N 412.515 1.232 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 539780229 GKKNKPGGHYWENF-UHFFFAOYSA-N 402.432 1.653 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 549291205 KPVAOARXZAMBOX-MPGHIAIKSA-N 413.544 1.239 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558565219 ZQRXJKWFPOMKDU-GJZGRUSLSA-N 401.467 1.105 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOCC3CCC3)CC2)cc1 571342602 ILVBFJGRDLMRJS-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 571843299 ZHSUAANQMDGLLU-HUUCEWRRSA-N 417.601 1.765 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604002228 ZWNNTVIZWGMPEZ-UHFFFAOYSA-N 415.478 1.193 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)cc2)nc1 609668647 VQCXUCVUTQDHQY-FQEVSTJZSA-N 421.501 1.882 30 10 HDEE Cc1ncc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 610114107 MXLKDZDMZZEHTJ-UHFFFAOYSA-N 405.867 1.457 30 10 HDEE COC(=O)[C@@]1(NCC(=O)NCc2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 611795234 GYWIOJFGCFTFCN-XMMPIXPASA-N 420.513 1.972 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)nc2N2CCCC2)CC1 679704626 BOEMYPKSXMPXEF-UHFFFAOYSA-N 400.527 1.120 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)c2cc(C)n(-c3nccs3)c2C)CC1 680938533 WKJGMUIVXXSPNR-UHFFFAOYSA-N 401.536 1.653 30 10 HDEE CCc1cccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccoc3)c2=O)c1 727416150 HMLWFRFIWCNLFN-UHFFFAOYSA-N 423.494 1.320 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C3(C#N)CCCCC3)ncnc1-2 729460860 IEBHEBPUEWTCEO-UHFFFAOYSA-N 406.288 1.501 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(C[C@H]4NC(=O)NC4=O)cc3)cc2C1=O 729797026 UZTBDEUHNCNWCH-QGZVFWFLSA-N 419.393 1.438 30 10 HDEE COc1cc2c(cc1OC)CCN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 732465544 HJYRZIAFNHWCOL-VXPUYCOJSA-N 414.462 1.340 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732673873 AHZUJWYAZSKUOE-KRWDZBQOSA-N 419.551 1.645 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 734293434 VOCXFZQCVBTRGQ-BFUOFWGJSA-N 418.475 1.172 30 10 HDEE Cc1nc(-c2cnn(C)c2)sc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 734704443 PBPOPFMHEOXWDO-UHFFFAOYSA-N 401.473 1.984 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)nc1 735852809 FZWKZUJBPFPGKS-AYAKEVCGSA-N 411.462 1.484 30 10 HDEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 742214468 YRKPONXZBRUXEC-INIZCTEOSA-N 417.535 1.503 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 748779665 ZOTFAMWNDOOHKG-MRXNPFEDSA-N 419.547 1.611 30 10 HDEE N#Cc1ccsc1N1CC[C@H](OC(=O)Cn2c(O)nc3ccccc3c2=O)C1=O 751647754 MZOYDVUJOIHCHL-AWEZNQCLSA-N 410.411 1.384 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 753820830 VZTNANCUQRNPOY-XWOXCUHHSA-N 410.478 1.257 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 758297336 UUMIKJMYUBMUNN-INIZCTEOSA-N 400.501 1.620 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 773575383 LPWLALDKESVKGJ-OAGGEKHMSA-N 415.498 1.435 30 10 HDEE C#CCN(C(=O)NCc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 774182244 YAVPGCOCOBDPMC-AWEZNQCLSA-N 403.273 1.920 30 10 HDEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 777467172 IOQCXFRCNPGNLY-HLGQQVFSSA-N 403.552 1.568 30 10 HDEE COC(=O)CCN1CCC(=NNc2ccc(S(=O)(=O)N3CCCC3)cn2)CC1 788712415 SZZMLQWYTDFWNC-UHFFFAOYSA-N 409.512 1.293 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)n1 790106060 OJWJFXGYDKNMTK-OAQYLSRUSA-N 414.481 1.704 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)CC1 790841437 QCCGBFCJFRUOEZ-INIZCTEOSA-N 402.513 1.911 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnn(C)c1C 791076972 IVBUALYZUNLVIL-QGZVFWFLSA-N 417.535 1.984 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CC(=O)N4CCC[C@H]34)nc2)C1 799471977 KPSYYVCOWIEKRF-JKIFEVAISA-N 405.524 1.911 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3COCCO3)n2Cc2cccs2)CCN1C1CC1 802698696 RMLXXMQEVCVWJO-RDJZCZTQSA-N 400.508 1.652 30 10 HDEE C#Cc1ccccc1CC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 810354135 MEJQNJAMCISCGH-UHFFFAOYSA-N 413.279 1.251 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC)[C@@H]1CCS(=O)(=O)C1 812024200 QTFAAUJQNYIVIB-CQSZACIVSA-N 404.492 1.609 30 10 HDEE Cn1cc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c(C(F)(F)F)n1 816294172 MJAHHRYIBHLWAZ-UHFFFAOYSA-N 416.356 1.986 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cn(C)nc1C(F)(F)F 816294971 UMUFUGZLJZXZHC-VIFPVBQESA-N 402.354 1.583 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(F)(c2ccccc2F)C1 816942872 DBRHUMGARJCHPG-UHFFFAOYSA-N 405.426 1.962 30 10 HDEE Cc1ccc(S(=O)(=O)N(CCC(=O)N[C@@H]2CCN(O)C2=O)c2ccccc2)cc1 820186570 ZLVQNJGRADKHFW-GOSISDBHSA-N 417.487 1.687 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849498400 RQULOWIYUAOFSD-ROUUACIJSA-N 423.521 1.541 30 10 HDEE CN1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849584952 ZPRPHKUKQFPWEL-ACRUOGEOSA-N 420.517 1.244 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)NCc1ccccc1 1084623234 PIUBVKZOEWRXHV-UHFFFAOYSA-N 411.491 1.942 30 10 HDEE Cn1cc(I)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1 1138106202 HFIXCBJITGYRLM-UHFFFAOYSA-N 408.199 1.800 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1143013246 JRXUDAXAQXCBKJ-SFHVURJKSA-N 406.914 1.576 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(O)(c3cccc4ccccc34)C2)cc1 1144140294 XRLLMAZLILSVKG-UHFFFAOYSA-N 421.478 1.720 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC1(CO)CCC1 1144653476 UXHBWWDVLCRJLS-UHFFFAOYSA-N 407.536 1.954 30 10 HDEE COCCN1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1147026155 FZFIYHYYMZLHOR-NHUHVJRWSA-N 406.527 1.610 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1152040679 CGMHMPZTLQEGTP-UHFFFAOYSA-N 412.309 1.474 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1155778782 ABMBNGWROBTZRI-UKRRQHHQSA-N 422.482 1.608 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)[C@H](C)O)cc2n1 1156690839 UBJSIZWJOLNHDA-SJCJKPOMSA-N 420.516 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3cc(C#N)ccc3F)CC2=O)C1 1158425807 HBLNCKGRXZXUQJ-ZDUSSCGKSA-N 402.426 1.647 30 10 HDEE C=CCc1ccc(OCC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c(OC)c1 1167204451 JBQAZYSDSWLPDD-QFIPXVFZSA-N 404.507 1.535 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3cc(C(=O)OC)ccc3c2=O)c1 1190020097 ILDMACRQYJUSPI-UHFFFAOYSA-N 404.382 1.513 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)OCC 1193572463 DJEUEIISEPPIRN-OAHLLOKOSA-N 400.884 1.931 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1253779513 PRLXZVGTEVMXSQ-CVEARBPZSA-N 423.510 1.657 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CCC)C(=O)C1 1286359102 WGXNGBJHYOBPEQ-HKUYNNGSSA-N 403.527 1.864 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286396341 PJWXVQKOXKTIRK-JENIJYKNSA-N 424.567 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCSC1 1286419686 CTBJXTMWGILVPE-CVEARBPZSA-N 409.581 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N(C)CC 1286421737 GSWXTMNQEDSNGM-OAQYLSRUSA-N 401.511 1.260 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1286444174 RDNTXVVHLGQGEZ-HNNXBMFYSA-N 412.460 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccs2)CC1 1286479519 HDJBNFBEJMMJRC-MRXNPFEDSA-N 419.576 1.240 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(O)cc2)CC1 1286495567 ZVHMABPMMHTQJH-LJQANCHMSA-N 409.490 1.849 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O 1286760936 VADMQVITBYJRMH-HZPDHXFCSA-N 411.572 1.924 30 10 HDEE CC(C)c1nnc(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1287195683 FXDHJVNNDQEZKO-MRXNPFEDSA-N 411.466 1.681 30 10 HDEE C[C@H]1N(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1(C)C 1291319900 IIRBCDFSSUGTTF-ORIGZDJFSA-N 414.510 1.761 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(I)c1N 1295143864 DMJGLPDETGLXQY-UHFFFAOYSA-N 424.246 1.755 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)n1 1296253115 DWOIVMLDVBXVHY-QZTJIDSGSA-N 406.377 1.792 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)C[C@H]1O 1299421037 PCOXLNXXGMXARO-LFVTVUPYSA-N 411.462 1.670 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(O)CCOCC1 1300553515 JRYYIUPXQIMFEG-ROUUACIJSA-N 402.495 1.007 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C1CC1 1300569625 PAMQZCFXSJAKHC-UHFFFAOYSA-N 419.485 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1300580725 GGUFFYRXVFNEMC-UHFFFAOYSA-N 404.536 1.338 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC2CCOCC2)CC1 1300699436 CQHHEJBGPJBRQA-IBGZPJMESA-N 417.554 1.513 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCc2c[nH]nc2C)CC1 1300729314 VIYPQTYHIIUELL-UHFFFAOYSA-N 409.538 1.861 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1300731115 CEXJQGJFXYMLTD-CVEARBPZSA-N 407.540 1.121 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CCN1CCOCC1 1300768039 KPXVYBDMTYRIFJ-UHFFFAOYSA-N 417.583 1.275 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300991366 ROKHVTJGDDSIPV-GOSISDBHSA-N 418.542 1.836 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)N(C)C)CC1 1301236530 GMDLKGQRYIZADV-HKUYNNGSSA-N 420.558 1.179 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1301247039 YTBCTOQOZZTYLV-UHFFFAOYSA-N 423.514 1.759 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 1301254409 OCSZEIFXOBVUGJ-FQEVSTJZSA-N 421.519 1.727 30 10 HDEE CC(C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1303277678 VSHJHJHPOIEVFN-IBGZPJMESA-N 424.553 1.715 30 10 HDEE C=CCn1c(SCC(=O)NC2CCN(S(C)(=O)=O)CC2)nc2ccccc21 1307247395 NCKSYTGFXBXJDE-UHFFFAOYSA-N 408.549 1.855 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1309665929 CPFWFPGLDQLDGG-GFCCVEGCSA-N 401.282 1.021 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Nc1ccc(Br)c(C#N)n1 1311071570 HCZPVEBVFOCQRI-VIFPVBQESA-N 402.274 1.261 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CS1(=O)=O 1312970251 HPKDZFPHXLUHSI-GXTWGEPZSA-N 407.496 1.221 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1313112013 CZZVQNMFLKGXEZ-ARFHVFGLSA-N 413.540 1.606 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C#N)c2)C1 1314922400 CYVDWYKOLFVULA-OAQYLSRUSA-N 404.478 1.310 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1316535772 AEBLJHXDTWOHPJ-KRWDZBQOSA-N 407.540 1.737 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCCC2)CCO1 1316540884 OVRMHUXMNZLQSF-HNNXBMFYSA-N 402.449 1.972 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4cnc[nH]4)CC3)C2=O)cc1 1319437460 ZSCSEDOZSPQCFX-QGZVFWFLSA-N 406.446 1.893 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1358937399 UALSOASJBLVJDJ-DWRORGKVSA-N 401.511 1.663 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358965248 QTYXWSNBHZAGEF-MSOLQXFVSA-N 417.535 1.316 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1359054086 JJLKILVGBBCUII-UHFFFAOYSA-N 400.508 1.002 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1359179448 VQFWPPVYIKCJAJ-MRXNPFEDSA-N 410.540 1.124 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359188804 VIVKUPBNLWTBDA-MGPUTAFESA-N 421.567 1.499 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1359235641 HOCLNIIUEBMHPP-UHFFFAOYSA-N 403.450 1.995 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1359471283 OYEYGYAHFIYBJL-GOEBONIOSA-N 420.468 1.687 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1360477792 BGFQUXKGWACVAV-AWEZNQCLSA-N 423.564 1.608 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2nc(C#N)cs2)C1=O 1439713087 ZQDCCLSOVOKPMM-QGZVFWFLSA-N 421.841 1.891 30 10 HDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN(C(=O)c2ccccc2)C1 1439797361 QKIJPXSBIQJXEV-DZFGPLHGSA-N 415.515 1.326 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)n1 1448858622 NPPHRGXKFUVWNG-OAQYLSRUSA-N 420.510 1.517 30 10 HDEE COC(=O)C(C)(C)CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1449226350 GVGJCAPLNLMVII-UHFFFAOYSA-N 423.535 1.991 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccncc2)C(=O)OC)s1 1450211780 JBFUDIPDACVQFJ-OAHLLOKOSA-N 423.516 1.050 30 10 HDEE COC[C@@H](C(N)=O)N(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1450295823 WGRJTHPHHMVBIK-DLBZAZTESA-N 416.478 1.351 30 10 HDEE C#C[C@@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CCOCC1 1453743844 HCVUFZRLSLNWFV-LJQANCHMSA-N 414.502 1.913 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1456748252 HSUKEKBOCDXCNE-MRXNPFEDSA-N 405.451 1.656 30 10 HDEE COC(=O)C[C@]1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCCOC1 1463558066 HJBAARVRKVFEAN-OAHLLOKOSA-N 417.281 1.711 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)nn1 1465498036 YZKWHXHGHNATLN-UHFFFAOYSA-N 410.482 1.239 30 10 HDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)NCCc1ccccc1 1468749383 PJHCARCCWNCKNO-CQSZACIVSA-N 417.462 1.600 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)NC(=O)COc1ccccc1)C1CCOCC1 1470311887 KTHHDRSQSPHLSS-OALUTQOASA-N 404.532 1.848 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1471083806 QTIIWXVZPFSJMR-BTYIYWSLSA-N 416.478 1.922 30 10 HDEE N#C[C@]12CN(C(=O)NCc3cccc(OC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1471584960 RZNFTSHNJYQFFS-SWLSCSKDSA-N 403.382 1.665 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(CC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1473537023 JNLIVNRYGSYVKB-UHFFFAOYSA-N 406.870 1.636 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccc(C#N)nc3)CC2)CC1 1473775514 SPRXVZBAXJRSLT-LVKMRUPZSA-N 416.522 1.311 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 1478282917 NJFQJUINZCBWPG-AWEZNQCLSA-N 410.414 1.909 30 10 HDEE CCn1cc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(O)nc1=O 1478902190 QCRHKYGYYGVDDD-UHFFFAOYSA-N 410.478 1.304 30 10 HDEE CN1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@@H](CNC(=O)OC(C)(C)C)C1 1479160408 YTMVCUOVBOBEME-OALUTQOASA-N 413.522 1.876 30 10 HDEE Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)n1 1492529593 BJPBJBSCGRDWPZ-JKSUJKDBSA-N 402.524 1.865 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1507617631 XLAXSHAVBYCRQH-HXUWFJFHSA-N 424.505 1.024 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1507631877 URFMCPMJSUPQFE-WMZOPIPTSA-N 419.551 1.041 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1507675530 BQTQHTZDUGVNDO-UHFFFAOYSA-N 408.506 1.772 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1507768834 XZYWZVBZHSETRT-JLTOFOAXSA-N 402.499 1.746 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1508013348 NBTXQINNRWEXHO-FQEVSTJZSA-N 418.519 1.682 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCN(C)C1 1508042207 XGQXJOLDAYHDHV-HSZRJFAPSA-N 424.549 1.987 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCOCC2(CC2)C1 1508092587 CXTNJQCUXZOOBA-UHFFFAOYSA-N 415.469 1.915 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1508095444 PAHPQADKXHNJJZ-HKUYNNGSSA-N 411.506 1.742 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@@H]3CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1508097545 ITTQQHDMBKWRRY-FVJLSDCUSA-N 419.526 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(N2CCCC2=O)CC1 1508144576 UYOPOBXPORERPX-UHFFFAOYSA-N 421.567 1.423 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1510311055 VJDVFNFYVGWGHB-PGRDOPGGSA-N 422.489 1.776 30 10 HDEE C[C@H]1COCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1512545715 HXZABMVLGKARDR-CVTQAYBASA-N 423.477 1.015 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C1=O 1517403293 YYWZYDQJYFCPKU-LEWJYISDSA-N 422.493 1.534 30 10 HDEE C#CCN(C(=O)c1cc(C)cc(I)c1)[C@H]1CCS(=O)(=O)C1 1520935617 SJSJUDCBXWUILY-AWEZNQCLSA-N 417.268 1.862 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1nccs1 1533905628 XVGYFKCQRXPKPI-UHFFFAOYSA-N 409.464 1.583 30 10 HDEE COc1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)Cc1cc(C)no1 1538537930 JDNMMJIQRWWNFU-IBGZPJMESA-N 419.459 1.720 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1539324868 YSJMYHIPHQKGKY-BWVDKLOVSA-N 422.489 1.509 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1539362196 SBCJMGSVYHSTHT-HNNXBMFYSA-N 412.885 1.628 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CSCCS2)CC1 1539428523 STTQWLFLQCHPFI-MRXNPFEDSA-N 420.608 1.118 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1540020144 HAWMJUXWTBUXAB-UONOGXRCSA-N 403.574 1.423 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC#Cc2ccccc2)C1 1540629107 QTRLETJGYPAWJE-DYESRHJHSA-N 418.515 1.436 30 10 HDEE CN1CCn2ncc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)c2S1(=O)=O 1540647448 WNRQKYLYOGHUHQ-UHFFFAOYSA-N 412.393 1.318 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540853499 SRUCLAFJJVOQDO-OAHLLOKOSA-N 417.514 1.149 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1540863063 OKNRRLYIQJXTCN-WMZOPIPTSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H]1CCOC1 1540863837 GXPPPWXDAKYGGJ-INIZCTEOSA-N 407.478 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1540869017 ZIVMVHKPKQXDIZ-INIZCTEOSA-N 407.482 1.384 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)OC)C1 1540900822 JGZXLUMTRMNOFI-HNNXBMFYSA-N 419.507 1.330 30 10 HDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1540922675 VPWPWLCLLRGSEF-YRNRMSPPSA-N 421.567 1.564 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)ccc12 1540945246 OJPCOLWXSQNXLQ-UHFFFAOYSA-N 423.454 1.412 30 10 HDEE COC(=O)Cn1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1542817061 RCVXLMFFZLNZIF-LQZXRHCMSA-N 417.466 1.781 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c1 1543314585 BRPDQSXOFZMOTM-IIBYNOLFSA-N 401.463 1.483 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](OCC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1548153800 ISGXGVPRJFWPCA-RAJOGRCSSA-N 418.498 1.346 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(C)CN(C)C1=O 1555094029 ZHGNVPJVBKCBRK-QVKFZJNVSA-N 412.494 1.940 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC[C@@H]1C 1555171747 KTSVEJMMPZSVDI-WMLDXEAASA-N 418.523 1.227 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1555994072 FFNPXCPTOYGYIN-OAHLLOKOSA-N 409.475 1.201 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](C)SCc1nc(O)c2ccccc2n1)C(=O)OC 1556376025 ZLEZGOCBCLONNY-WFASDCNBSA-N 405.476 1.818 30 10 HDEE C#CCOc1ccc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1 1556660751 ZEDOOLRMATXZGN-UHFFFAOYSA-N 406.435 1.353 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)COc1ccccc1C#N 1556788111 HUSSNYKCQGWUEW-UHFFFAOYSA-N 402.476 1.179 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557387571 VQNYEUPMQWXOIR-AWEZNQCLSA-N 405.476 1.029 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(CC)cc3)on2)CC1 1558074677 DLYFXFLLPKKHCX-UHFFFAOYSA-N 402.476 1.129 30 10 HDEE Cc1ccc(C(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 1558669896 SXIMATHAZGXBFO-OCCSQVGLSA-N 405.398 1.494 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1559835966 BMVKBVNNTVGSQZ-GVDBMIGSSA-N 411.424 1.835 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)CC1 1560179713 QGUHFPOQGMBIIC-AVRDEDQJSA-N 404.555 1.533 30 10 HDEE CN(Cc1ncnn1CC(F)F)S(=O)(=O)c1ccc(Br)c(C#N)c1 1561529854 ALDPSUKAEJLIHF-UHFFFAOYSA-N 420.239 1.998 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C(=O)OC)c1ccc(C)cc1)c1cc[nH]n1 1565666643 YPXNQXNTNZWMOW-OAHLLOKOSA-N 416.434 1.075 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1566306365 JAQFTRWBHXGFSX-LJQANCHMSA-N 403.460 1.529 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 1568692977 JFCFKKZXUQWCKV-DLBZAZTESA-N 419.323 1.424 30 10 HDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1587313460 PQIJEHRCIDCVFG-MRXNPFEDSA-N 412.471 1.058 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1588457999 BHXLGVVQJJDBDQ-IXDOHACOSA-N 419.526 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CC)CC2)CC1 1588961584 FIARJWXHDPMJCU-UHFFFAOYSA-N 412.538 1.557 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589053217 KEHNYWIZUQFBES-UHFFFAOYSA-N 411.597 1.772 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589581973 XJCJFIXGMHQMMO-VQHPVUNQSA-N 405.499 1.062 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1594709072 HTOFUZTZCDRYAU-OAHLLOKOSA-N 409.498 1.782 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594713906 NTACTNLSIRXPMQ-UHFFFAOYSA-N 413.526 1.720 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595594708 OHCVCVHSNCPITR-UHFFFAOYSA-N 404.515 1.098 30 10 HDEE C=CCSCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595906060 XDDJRBMLSDQVNS-QFBILLFUSA-N 407.540 1.967 30 10 HDEE CN1CCC(CNC(=O)c2cccc(C#N)c2Br)(N2CCOCC2)CC1 1597423913 RHHUVTWMJMTTRU-UHFFFAOYSA-N 421.339 1.847 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1611766971 FINRHCSASNHYNL-LJQANCHMSA-N 413.507 1.496 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1611778845 RSDLOZBZVDBOMH-MRXNPFEDSA-N 413.526 1.559 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](F)COC 1616912534 WBTLHRLSNBYCAO-OAHLLOKOSA-N 420.493 1.039 30 10 HDEE COC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)OC 1619596145 PZRNYANMEMQJBA-HOTGVXAUSA-N 402.411 1.243 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1622024363 MRSGLXBAGJHGMT-OAHLLOKOSA-N 420.311 1.677 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1622142111 ODYABDYZOLULND-SFHVURJKSA-N 412.533 1.192 30 10 HDEE Cc1nn(-c2ccccc2)cc1CCCNC(=O)CCn1cc(C#N)c(O)nc1=O 1625181852 PFLSWZKZQQYMGH-UHFFFAOYSA-N 406.446 1.454 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)C1CCOCC1 1630572495 RNDQCWGUZWVLKW-IBGZPJMESA-N 407.536 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)CC2(C#N)CCOCC2)C1 1630889402 XSJWCTRHMYTLLY-UHFFFAOYSA-N 406.483 1.035 30 10 HDEE CC1=C(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H](C)n2nnnc2N1C 1632039887 HRODWBDUUPXZNG-AWEZNQCLSA-N 420.477 1.707 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(C(=O)CC3(C#N)CCOCC3)CC2)nc1 1632658469 KDBVZIKGSFKLKZ-UHFFFAOYSA-N 400.479 1.864 30 10 HDEE C#CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1634819057 ZKIVOJFWIBTSRK-UHFFFAOYSA-N 418.450 1.618 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)CC1 1634876573 VADGSOZDDCUWNC-FQEVSTJZSA-N 400.498 1.074 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)OC 1635159215 VKIYPQYZJUFFDZ-MRVPVSSYSA-N 415.315 1.306 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CC[C@H](N(C)C)C[C@H]3C2)s1 1637381546 VRWZRJUFCXKEOV-JYJNAYRXSA-N 411.593 1.944 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1637984452 ADNKSWCOXIAUSF-QGZVFWFLSA-N 405.520 1.768 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(n3nncc3I)CC2)n1 1641462878 LIVPSNHAVJMHAD-UHFFFAOYSA-N 408.203 1.627 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C[C@H](O)CC2(C#N)CCOCC2)CC1 1643298844 BBRYLNYIMIKXBD-SJLPKXTDSA-N 401.573 1.440 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1643330124 IFMBZSZENDAVNZ-KBPBESRZSA-N 414.487 1.544 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1643543250 LXPLDDDLXVLXQC-KDOFPFPSSA-N 424.295 1.659 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncn(C)n1 1643623154 FDBAFKKPPOOUEA-OAHLLOKOSA-N 418.523 1.161 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C[C@@H](O)CC3(C#N)CCOCC3)CCO2)cc1 1643948156 IHTWXEHXNXROQM-HKUYNNGSSA-N 408.520 1.535 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cncnc2-n2cccn2)s1 1643962214 FEVUVWKIJHMMKD-UHFFFAOYSA-N 404.477 1.369 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 1645693564 YZYKTOJNLMVVCH-OLZOCXBDSA-N 409.508 1.807 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1cccc(C#N)c1Br)C2 1648582195 LLHRLLDKZXMFLA-CYBMUJFWSA-N 417.267 1.334 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC#C[C@@H]1CCCCO1 1648586781 SLFQBWODBCMLRQ-WMZOPIPTSA-N 417.531 1.973 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H](NC1CC1)C(F)(F)F 1651257429 CPLNETTWBZRUMD-XHDPSFHLSA-N 418.441 1.414 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc([Si](C)(C)C)cc2)c1=O 1652134122 NKNOFDOGZNMBJM-UHFFFAOYSA-N 413.550 1.817 30 10 HDEE Cn1nccc1[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1652542482 MRDWCTVFQNJELA-WUEBVRTOSA-N 403.483 1.357 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)C1 1657390464 DKGRDKUIBPOLOV-UHFFFAOYSA-N 420.535 1.678 30 10 HDEE C#CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1657893015 BOFGKGVQIQZCDP-CQSZACIVSA-N 407.492 1.794 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H](CO)Cc2cc(F)cc(Br)c2)CC1 1663748813 BAMZZYZXZIVXAL-LBPRGKRZSA-N 405.289 1.962 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(F)cc3)CCC2)CC1 1676623870 WGCGECMYYFYMHW-UHFFFAOYSA-N 408.499 1.042 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1689847801 IJRRQZSWJAOMPU-ZDUSSCGKSA-N 410.434 1.373 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1689934079 JCWHUPWBSUDSDJ-GDBMZVCRSA-N 403.508 1.407 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1690120113 GZTRDEMMDFQVNK-LJQANCHMSA-N 410.570 1.554 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2CCN(C(=O)OC)CC2)CC1 1690130854 OQJPSHMXTFAJEV-UHFFFAOYSA-N 400.527 1.464 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690158179 ZDVSQLCSDCFOJW-UHFFFAOYSA-N 403.512 1.010 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690300866 MJVSEEQGTSJNEN-HNNXBMFYSA-N 402.503 1.526 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@@H]1C 1690615649 NDIKQXBJWADXCM-VFNWGFHPSA-N 416.478 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CC(=O)NC(C)C 1690663367 UMHFNHFMSYRIAD-UHFFFAOYSA-N 410.478 1.954 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnn(C)n2)C1 1690705971 GCSDCTBQAXHIQI-ZDUSSCGKSA-N 416.436 1.500 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1691363633 DOKLZOPCAMJELA-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCC(C)C)CCOC1 1696098836 WEZGTVYSKQBIIN-PXNSSMCTSA-N 407.515 1.722 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1696505497 DHCDSAUKYAUIPO-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1705493976 REUPOXXSEOFXQK-ROUUACIJSA-N 414.554 1.722 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705532628 PNDRDUNPEICJLT-ZWKOTPCHSA-N 423.583 1.693 30 10 HDEE C#CCCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1705539348 PEVYJRGFDOWULM-UIFIKXQLSA-N 404.511 1.728 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccccc1F 1705581742 KFLJKTKVRRAFNK-KRWDZBQOSA-N 409.465 1.814 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1705611379 AYUGRYVRQYTGSE-HNNXBMFYSA-N 400.483 1.186 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H]1COCCO1 1705629559 MJLRVEDIPFHKNZ-IBGZPJMESA-N 424.505 1.408 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCC(=O)NC 1705695763 ZCTZQHRTGUBBBB-FUHWJXTLSA-N 418.542 1.458 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1705695827 CPXQHTHJILOFAB-MJBXVCDLSA-N 419.498 1.715 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1705800484 YOVNHWFINCQXKB-GDBMZVCRSA-N 412.560 1.350 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705821539 ADVOARZGNZTRPK-MRXNPFEDSA-N 400.527 1.862 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1705904281 LHJLXRZNMATGOC-UHFFFAOYSA-N 408.510 1.996 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705939968 RIPPCFNGXFGNQK-OAHLLOKOSA-N 422.555 1.757 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1706058413 ACPZXSPGNDKOIS-DLBZAZTESA-N 410.434 1.457 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711155219 WRPFTZNTGFLWNK-CABCVRRESA-N 419.507 1.556 30 10 HDEE COCCO[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1712588157 ADTSWSQRCZFJRO-WBVHZDCISA-N 401.467 1.927 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1712634256 ATNLRUBDOHANCS-MXTNKPTQSA-N 419.526 1.672 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1712877146 BZDBHEHPEHFMBW-IBGZPJMESA-N 400.462 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1722292688 ALAJJJZFOXGQOY-RDJZCZTQSA-N 417.535 1.869 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722312828 KRDUIYFVWPAJPB-MRXNPFEDSA-N 402.524 1.662 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722338315 ICNKHQHCEFQYAF-UHFFFAOYSA-N 410.522 1.989 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCn1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 1722359905 XHBYWDCEFFOMMP-SFHVURJKSA-N 418.567 1.932 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)OCC)CC1 1722446088 MIXSMYXXDDLRHI-UHFFFAOYSA-N 411.510 1.516 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722701172 IMWZJGPIQVXBEI-ZDUSSCGKSA-N 400.449 1.606 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722702132 DXNSPKANPAQGPM-HZPDHXFCSA-N 404.515 1.173 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N(C)CCS(C)(=O)=O)cc1 1722704344 GXXUZPHMWOGCQE-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1726729145 OUARHYIQMUHUHQ-UWXDHFKOSA-N 416.482 1.270 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1729717166 ADLOATQNIFWCMB-KRWDZBQOSA-N 409.494 1.257 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)cc1OC 1730064997 WJYGLPCKYCRTQB-MRXNPFEDSA-N 410.478 1.981 30 10 HDEE COC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730553648 STSWTABUSYYEMV-HEWTWTGNSA-N 416.526 1.965 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1740555673 ACJPXCKVNFZEOP-HNNXBMFYSA-N 402.462 1.773 30 10 HDEE C#CCN(c1nnc(C)n1CCN1c2ccccc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740617686 VJVOLYWSYBVHEV-QFBILLFUSA-N 413.547 1.664 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCOC1 1740686704 WQOOMIJROMQUDW-NQIIRXRSSA-N 414.462 1.028 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740714654 GDKGQRHJEUNZEK-SFHVURJKSA-N 414.579 1.809 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1740810828 HGCPCSMFINWKQA-MBNYWOFBSA-N 403.936 1.456 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCOC2=O)CC1 1740819028 ASWDBBXLNOBUSY-HXUWFJFHSA-N 405.499 1.929 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1740885331 DKXQFGOKOYQJTH-KRWDZBQOSA-N 414.514 1.330 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1740893601 PWYWSAOSBDQNGN-LJQANCHMSA-N 403.508 1.449 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCO2 1740942606 WPMZHADQNCLBIS-UHFFFAOYSA-N 413.478 1.816 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC2CC2)CC1 1740962211 VVFQGPPOOXNCPN-UHFFFAOYSA-N 424.549 1.712 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1740965631 KEYSRKBLAGLBSO-QGZVFWFLSA-N 424.505 1.439 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1740996513 NXOJLHWECANCFW-CQSZACIVSA-N 415.585 1.567 30 10 HDEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747332893 PJSSRHCKQFIUSX-KRWDZBQOSA-N 401.515 1.004 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccccc1)N(C)C 1748852223 ZNZPWNGMTHMXDB-HXUWFJFHSA-N 404.518 1.776 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1748896868 MVQFWHUBEOPINF-FQEVSTJZSA-N 406.534 1.695 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1748956740 ICIYKCUDPDWLGP-HSZRJFAPSA-N 420.517 1.646 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)CC1 1749329806 RZSYOQLBQYRXSP-KUHUBIRLSA-N 423.539 1.791 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749670331 PXJBWJWSZLHALI-IAGOWNOFSA-N 416.526 1.413 30 10 HDEE Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)c(=O)n1C 1751517935 FXMSSKRMIOXFHQ-UHFFFAOYSA-N 404.478 1.921 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1760145202 KBFNUROKAYTWEQ-OAHLLOKOSA-N 400.508 1.810 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760185132 QFFIWCVHPPMKNB-HUUCEWRRSA-N 424.473 1.695 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(C)CN(C)C1=O 1760223480 TXVVUKGQQIEPIM-HSZRJFAPSA-N 421.501 1.807 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)Nc1ccccc1 1760243888 TZJHWIGJYXIBJW-UHFFFAOYSA-N 424.505 1.629 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCOCCCO)CC1 1760262331 LXNPITYGGPMCPE-UHFFFAOYSA-N 401.486 1.162 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760531861 CHZFGUIFJIKBCR-KRWDZBQOSA-N 410.478 1.672 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2C[C@H](OC)[C@H](OC)C2)cn1 1765325195 DAPAWDCLHGLCPA-KDURUIRLSA-N 407.478 1.931 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)NC2CC2)C1 1769415038 BHIVOTRFYNEXAD-KRWDZBQOSA-N 422.489 1.875 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@H]1CCOC[C@@H]1OC 1769843300 FRKLBMPQFYKCQF-MSOLQXFVSA-N 400.483 1.758 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1772567190 NGCGZPASICILLM-AOCRQIFASA-N 418.542 1.358 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848894417 SFAAINGVAVUKRJ-UXHICEINSA-N 403.438 1.656 30 10 HDEE N#CCc1ccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1850013730 CGHXFMNYQHHPQP-UHFFFAOYSA-N 404.414 1.800 30 10 HDEE N#Cc1c[nH]c(=NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ncccc12 1850125291 PVBAOWAZWSBDDQ-ZDUSSCGKSA-N 415.409 1.686 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C2)NC1=O 1851648623 IXPDMIMJGUCBCV-LLVKDONJSA-N 402.838 1.322 30 10 HDEE CCOC(=O)C1CCN(CC(=O)Nc2c(C#N)c(C)nn2CC(F)(F)F)CC1 1851924835 NHZTVTKZMQACPS-UHFFFAOYSA-N 401.389 1.839 30 10 HDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc21 1853641774 DXAPATBNMNMACM-CQSZACIVSA-N 404.492 1.340 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1=O 1853828700 OLYFMOAJKYOCSU-RTBURBONSA-N 401.482 1.995 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)[C@H]3CCCCO3)C2=O)CC1 1854802826 KWUWVZSORBCFFZ-RBUKOAKNSA-N 411.506 1.552 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3cccnc3Cl)C(=O)C2)C1 1854936118 XZKLDNLLMGUMIZ-RDJZCZTQSA-N 403.914 1.715 30 10 HDEE CC1(C)CC[C@@H](N2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)C1=O 1854958995 KAIFECPYPWGZOB-RTBURBONSA-N 408.502 1.675 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1=O)CC2 1855036026 VWJDZQQKWNZPNP-WBVHZDCISA-N 405.458 1.451 30 10 HDEE COCCOc1cncc(C(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)c1 1855599881 JMJRMROZFVQPQO-IBGZPJMESA-N 400.479 1.864 30 10 HDEE CC1(C)C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)CCN1CCC#N 1855860262 LSVONINDYUKNNG-UHFFFAOYSA-N 409.483 1.743 30 10 HDEE COc1cccc2c1C[C@@H](C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O)CC2 1856091952 GZUMBNHVXRJJFC-HNNXBMFYSA-N 419.503 1.103 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3cc(Br)cs3)C2)CC1=O 1856641906 YRPCPFHFKMWTMX-CYBMUJFWSA-N 411.325 1.669 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3nc4ccccc4n3C)C2=O)CC1=O 1856647533 OCHLEVBWDSKGOX-MAUKXSAKSA-N 409.490 1.167 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H](C)CCC#N)C(C)(C)C1=O)n1nnc2ccccc2c1=O 1856767403 HRADEIDDDCHKLD-CABCVRRESA-N 410.478 1.494 30 10 HDEE CS(=O)(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856972788 ZSRQKIKAHUEGGR-INIZCTEOSA-N 403.504 1.446 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@@H]1CCN(C)C1=O 1857068440 NWZADPDVOYFHPB-IAGOWNOFSA-N 416.522 1.971 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cncc(Cl)c2)C1)[C@H]1CCN(C)C1=O 1857074852 RMBNWZCNQMTQIG-YOEHRIQHSA-N 404.898 1.833 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C1)CC2 1857213552 OWXOZPYMYPPRKD-GDBMZVCRSA-N 412.469 1.053 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCCO3)C2)CC1 1857249185 KNKQGEIXSUVVAB-IEBWSBKVSA-N 412.490 1.598 30 10 HDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868783916 ULKWKNMRKPEONQ-LZLYRXPVSA-N 418.563 1.760 30 10 HDEE C=CCOc1cn(CCCN(C)C)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870385712 JNODPMFEFHGUSF-UHFFFAOYSA-N 406.527 1.639 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC(COc4cccnc4C#N)C3)CC2=O)c1 1891231408 QEIYQZZPGNCCJC-INIZCTEOSA-N 406.442 1.852 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2106651857 UINQOYPNTOJCSH-HHXXYDBFSA-N 412.471 1.828 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N=c1[nH]ccnc1I 2178138556 YEYZGXCECAYCEN-UHFFFAOYSA-N 404.164 1.315 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CC(F)(F)C1 2184238805 YGDONAQNMLIVIB-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2217454214 RRKGORCQCDPDNO-GJZGRUSLSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@@H]21 2247804232 IVIDURNDMKHLFN-PMPSAXMXSA-N 420.315 1.762 30 10 HDEE CC1(C)OB(c2ccc(O)c(C(=O)N(CC(N)=O)Cc3ccccc3)c2)OC1(C)C 2248028974 RKDQSCWIQUQMOH-UHFFFAOYSA-N 410.279 1.819 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405852 UDPIGHCAAIPGRB-WFASDCNBSA-N 421.303 1.593 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1nccn1Cc1ccccc1 2255651717 ZENPWYYXSJDZFD-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CSC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269028710 FRHGWIZULRXAOR-VIFPVBQESA-N 407.344 1.142 30 10 HDEE CN1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329499 NEBPWOMSSMSRJN-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE C[C@H]1C[C@@H](O)[C@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282335633 RZGZNPXOLJLKKF-MBNYWOFBSA-N 401.359 1.827 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](CN)C1 2282414687 WLGUYUSQKKBKLF-STQMWFEESA-N 400.375 1.795 30 10 HDEE Cn1ncc(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2282572610 NODPKDVYMFDARL-CQSZACIVSA-N 405.304 1.335 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C(C)(C)C(N)=O 2282831384 JPBLBPZCEAMZQO-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](F)[C@H]3CCOC3)c2)OC1(C)C 2282849027 VQKIVCSLQJEVKL-WCQYABFASA-N 405.322 1.700 30 10 HDEE C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282860415 ZTRSZNLVAVSHDY-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861910 VZEGRCFFQDOHPO-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@](C)(=O)[C@H]2CCNC2)OC1(C)C 2282879274 RDDSZHKOYPDMCK-JPQMIFPKSA-N 420.387 1.196 30 10 HDEE Cn1nc(Br)c([C@H](O)[C@H](N)C#Cc2ccc(Br)cc2)n1 2296278424 DHMXTBDDIIZGGW-ZYHUDNBSSA-N 400.074 1.753 30 10 HDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329013153 MPLOWIWYORFAIG-AWEZNQCLSA-N 416.507 1.471 30 10 HDEE C=C[C@]12C[C@H](CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2351702103 DBNAWPHJKCJZOR-HLIPFELVSA-N 422.503 1.825 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)c1c(Br)c(Br)nn1C 2364226143 HUIHRDOLSLTTPW-LBPRGKRZSA-N 409.078 1.335 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 2365195918 GWQUWPNYDHMELE-JKSUJKDBSA-N 401.573 1.390 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367785439 DLMDOQUIENQMLK-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CNC(=O)OC(C)(C)C 2367810404 XIAJZNAWEHNECH-QAPCUYQASA-N 402.557 1.601 30 10 HDEE CN(CCC[C@@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1)C(=O)OC(C)(C)C 2367849371 LVFPDAYOLYWCJF-GOSISDBHSA-N 401.525 1.924 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)C1 2368805804 MLGREWFYAKDKJW-LMVRJCEZSA-N 412.490 1.611 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)CC1 23265468 BRMJZZSNBDSNAT-UHFFFAOYSA-N 413.349 1.872 30 10 HDEE CCCC/C(C)=N/Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1 59891110 AVKBWFDSCMEEPL-DJKKODMXSA-N 405.488 1.218 30 10 HDEE COc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1OC 90743953 IXJGBCHHVRPZPR-UHFFFAOYSA-N 404.444 1.163 30 10 HDEE N/C(=N/O)c1ccc(S(=O)(=O)CCn2cc(I)cn2)cc1 163233247 BLFBTBHVBCMXER-UHFFFAOYSA-N 420.232 1.056 30 10 HDEE C=CCCCO[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 223256982 RUZLEKUIXNODKZ-QXCZDIPSSA-N 416.423 1.052 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 432213823 GIZBNEJCBYZDQY-CRAIPNDOSA-N 416.565 1.880 30 10 HDEE CCNC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 433873618 FZYVQAOXCVHBDM-NSHDSACASA-N 401.286 1.403 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OCCO)c1 446729197 SDKZNPJCXXLGHR-CQSZACIVSA-N 403.460 1.543 30 10 HDEE CN(C)C(=O)COc1cccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 462084887 PJQAVKQOQLNQSN-UHFFFAOYSA-N 419.445 1.928 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cnc(N2CCOCC2)c(F)c1 462678458 KFJICBRXSKOBEJ-UHFFFAOYSA-N 421.410 1.316 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@]1(C#N)CC1(C)C 484901511 SYHWVOVOENZSEK-HXUWFJFHSA-N 420.535 1.443 30 10 HDEE Cn1cnc2c1c(=O)n(CCCSc1nc(C(F)(F)F)ccc1C#N)c(=O)n2C 488762239 HCTRADNUTFDAND-UHFFFAOYSA-N 424.408 1.902 30 10 HDEE N#Cc1ccc(N2CCN(C[C@H](O)CN3C(=O)c4ccccc4C3=O)CC2)c(F)c1 507161797 AYRCQFZYZIPGRM-INIZCTEOSA-N 408.433 1.476 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 508863750 JMLMLBOKXKHLIZ-SJLPKXTDSA-N 418.542 1.121 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508995343 BVEPWTUYBIONIX-UHFFFAOYSA-N 410.522 1.486 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 511410418 OKMIVJXFYUNLKS-MOPGFXCFSA-N 419.551 1.220 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)cc1 520291594 DJWPSSVJOGAUIA-UHFFFAOYSA-N 416.434 1.606 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 522944934 BWJDFUKPADYOJB-RCCFBDPRSA-N 403.504 1.284 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@@H](NS(C)(=O)=O)C3)c2C#N)C1 532978599 YHRUVIUAWKOYDE-QWHCGFSZSA-N 410.565 1.697 30 10 HDEE C[C@@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)n1cnc(C#N)n1 537302098 SSHQTLQKBXPXPZ-NSHDSACASA-N 424.870 1.024 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 549691525 IOVBTIZQYSIXES-HZPDHXFCSA-N 413.544 1.048 30 10 HDEE COCc1ccccc1CS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 553528644 BZMRZNAUPSBDDP-UHFFFAOYSA-N 403.508 1.399 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 553583812 RCMNDSPWYKVLQU-INIZCTEOSA-N 418.523 1.081 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC)CC1 555116009 YHXJBRHMLNTHRF-UHFFFAOYSA-N 414.510 1.310 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nc(O)n[nH]3)CC2)CC1 561379235 DRXCEMOSEZUACN-HNNXBMFYSA-N 415.523 1.160 30 10 HDEE CCc1c(C(=O)NCc2ccc(C#N)c(Cl)c2)cnc2c1c(=O)n(C)c(=O)n2C 619763660 OJEFXRAZTPNAIF-UHFFFAOYSA-N 411.849 1.650 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 642700367 JIWCEVFTGOUCBU-UHFFFAOYSA-N 402.503 1.396 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)C1 718798456 UQADERWDAVUUPJ-GFCCVEGCSA-N 401.363 1.509 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 727988373 CGVKFCMKUWSEGW-OQCHKFKFSA-N 424.548 1.749 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cn1 734601860 MZCNCBNYUGLGPK-OAHLLOKOSA-N 419.484 1.387 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC3CCN(CC(=O)OCC)CC3)cc2C1=O 740559640 BJWWPBXCSJTDAN-UHFFFAOYSA-N 414.458 1.901 30 10 HDEE CCOc1ccccc1NC(=O)[C@H](C)OC(=O)CCN/C(O)=C1/N=CC=CC1=O 741340555 FYKXSPVAPLLGEO-HGENEIFLSA-N 401.419 1.872 30 10 HDEE C[C@H](CC#N)NC(=O)C[C@@]1(C(=O)N[C@H](C)CC#N)CCN(C(=O)OC(C)(C)C)C1 746186020 UZCONXZUFWJKSF-SXGZJXTBSA-N 405.499 1.840 30 10 HDEE C#CCN(C(=S)NCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 747651561 OZTXTDFZAJGTKR-CQSZACIVSA-N 401.351 1.946 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)c1 748572485 HBSIRHFMVQYEPB-JTKIUVGSSA-N 414.462 1.315 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754046646 IKQSGJQEVPFGDW-UHFFFAOYSA-N 410.405 1.598 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)CC1 761272660 MHHRPRPOGWEVHX-UHFFFAOYSA-N 419.503 1.194 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccn(C)c2)c1=O 763453729 NOJLKAIPDAWLBM-UHFFFAOYSA-N 401.557 1.874 30 10 HDEE COC(=O)Cn1cc(C(C)=NN=c2cc(C(F)(F)F)[nH]c(-c3ccncc3)n2)nn1 772845725 RRLBOFDYGLPISH-UHFFFAOYSA-N 420.355 1.580 30 10 HDEE C#CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1)[C@@H]1CCS(=O)(=O)C1 774166856 FCOKMRTZVPPPMM-MRXNPFEDSA-N 413.540 1.608 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OC[C@@H]3CN(c4ncccn4)CCO3)cc2C1=O 774611018 QEOIHXOZDXNCDM-HNNXBMFYSA-N 408.414 1.321 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CC1CC1)C(=O)O 777387478 WYYYNJOGHLAXSQ-OAHLLOKOSA-N 407.492 1.655 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CCN1C1CC1 782467120 PPIXFZRFROHJKF-GOSISDBHSA-N 411.487 1.695 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)n1 788868474 GJUMAHQNWQLRKO-OAHLLOKOSA-N 401.433 1.559 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCC1CS(=O)(=O)C1 790640908 WDDWYUAKNOQZKE-HXUWFJFHSA-N 418.471 1.129 30 10 HDEE CCO[C@@H]1C[C@]2(NC(=O)N([C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)C1(C)C 794796174 SSRSULARSSDBGS-MWBIGIAMSA-N 406.483 1.871 30 10 HDEE COc1cc2c(cc1F)CC[C@H]2NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 801082685 DUZQPIFQDAUADG-OAHLLOKOSA-N 403.435 1.677 30 10 HDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2Cc2nnnn2C2CC2)c1 803195184 DVSHVHHIERRJCB-UHFFFAOYSA-N 403.475 1.929 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 805783198 UJUQEMGWBKYVLL-RBUKOAKNSA-N 407.536 1.409 30 10 HDEE C#CCN(C(=O)Nc1cc(F)c(F)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 806715387 GSQGSHVARCFALE-ZDUSSCGKSA-N 413.446 1.456 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 806780049 IGQMMBWIUFOKBO-HNENSFHCSA-N 419.432 1.713 30 10 HDEE Cc1nc2n(n1)CCN(C(=O)C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)C2 807248549 BBYKXSDRTQJHSW-UHFFFAOYSA-N 406.471 1.845 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1Br 809124997 WXDZUQUDNICWRI-BZHVJNSISA-N 403.229 1.690 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 813745829 MNNAFQJGCSPPIT-DAXSKMNVSA-N 412.471 1.650 30 10 HDEE N#CC1(CC(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 815415538 UIKWCFFGYKGYHA-MLPAPPSSSA-N 417.487 1.368 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc([C@@H]3CCC(=O)N(CC4CCC4)C3)no2)C1=O 856557489 OKGVLJTUWQCQIT-CYBMUJFWSA-N 401.423 1.053 30 10 HDEE CC(C)NC(=O)c1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 915196964 AJVUVKJRPDMMRK-UHFFFAOYSA-N 414.487 1.892 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 1127220448 LXYDAQMTACHIMT-GFCCVEGCSA-N 413.413 1.812 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1129009123 KVMOZDNXQOFNHD-OLZOCXBDSA-N 403.298 1.773 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)C1=O 1131199882 YTYMAHCETZCAJL-ZDUSSCGKSA-N 420.466 1.012 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCN(C)CC1 1134265523 GJPQEBXLLVNOFH-QGZVFWFLSA-N 421.538 1.782 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N[C@H](C)CC)c1 1135839246 XBZHFMLAHGFOAO-PBHICJAKSA-N 408.545 1.913 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)c1 1135877142 BUXLYPYQMGQDPQ-UHFFFAOYSA-N 418.475 1.359 30 10 HDEE Cc1cnn(-c2cc(C(=O)N(CCC#N)CCN3CCOCC3)c(N)cc2F)c1 1136457746 BSQQQNPGZFZLFW-UHFFFAOYSA-N 400.458 1.590 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1137094257 KTPFWLVTKMEHPZ-CYBMUJFWSA-N 406.435 1.749 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCCc1ccc2c(c1)OCCO2)c1cc[nH]n1 1137537735 VKJXXQPMPZFCLH-UHFFFAOYSA-N 416.434 1.214 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@@H]2CCCN(O)C2=O)C1 1141463773 SQBYLKAGTADDID-RZQQEMMASA-N 405.451 1.299 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1 1147254447 FYPDJIHKSCXHSK-UHFFFAOYSA-N 421.482 1.540 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CNC(=O)NC)C1 1147719821 FEFVDJDKGDNGFR-CHWSQXEVSA-N 404.895 1.179 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(c3nc(N)n[nH]3)CC2)CC1 1160245759 ZEPXRFDZQKIGPH-UHFFFAOYSA-N 402.499 1.743 30 10 HDEE COC(=O)C[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1160599142 FVSZFLJITPIXCV-KXSVDRQTSA-N 421.494 1.564 30 10 HDEE CCCCCC[C@@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166615563 WYIVKLJOLRLDJH-OAHLLOKOSA-N 420.510 1.698 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1cccc(F)c1 1166839337 MHSSOPNEWZKOQL-KRWDZBQOSA-N 417.462 1.854 30 10 HDEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 1175668654 GDPQTXOOCVDCPE-AWEZNQCLSA-N 402.447 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)C1(C#N)CCOCC1)OC2=O 1178241177 MGZXINOTJLGCFY-HNNXBMFYSA-N 421.494 1.756 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1187461586 ZQFQRYGIQSTROT-RBUKOAKNSA-N 404.488 1.311 30 10 HDEE C#CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCc2ccccc21 1198104114 LUSVPTHFCICCIZ-HXUWFJFHSA-N 403.548 1.539 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1233928313 OOYAXOICICHISP-LJQANCHMSA-N 401.507 1.910 30 10 HDEE COCCCN(C(=O)c1csc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1264036309 OKJRARRPKJRBLI-UHFFFAOYSA-N 405.480 1.804 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 1264273284 VUEKAOUDFLWNGQ-UHFFFAOYSA-N 414.466 1.971 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2ncc3cccnc32)c1 1264633845 DOFBKIPCYMUMLL-QJOMJCCJSA-N 412.475 1.883 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CC1 1280928384 FMPMOWRVVYOSMC-ZPLOVTKXSA-N 401.551 1.402 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1286275497 SQSJLXIGNVCCRC-OLZOCXBDSA-N 408.528 1.680 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286335696 LILNEQKZYBJYLC-XGHQBKJUSA-N 403.527 1.768 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCC(C)CC2)CC1 1286470817 CTBIRHIBHXHEEP-FQEVSTJZSA-N 418.586 1.489 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286670211 CEVPXVUNSYNJLA-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1286781539 SYDATIIXALQSLD-UHFFFAOYSA-N 405.572 1.707 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 1286790676 JCSSBFNBVVQCEP-CQSZACIVSA-N 405.524 1.744 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286799198 QXLJZRADNCJXMV-UHFFFAOYSA-N 412.538 1.664 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1288303317 VXLBJPSVQGGULO-ACSYHNTCSA-N 421.567 1.970 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1295682641 HVZWVXIELNNYND-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1296663062 HGRRDEWJYJPLEK-BBRMVZONSA-N 419.404 1.585 30 10 HDEE CN(C)CC(C)(C)C1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1298102824 AXEHMIAJSOYGNG-UHFFFAOYSA-N 420.579 1.942 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1298972320 XCYJFCBJCIAZSJ-CYBMUJFWSA-N 406.437 1.917 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)COCCO1 1300281833 DMYNTPCELBHIIH-FOIQADDNSA-N 418.519 1.612 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1300300671 JKCIGWBQUFAMHR-MSOLQXFVSA-N 418.490 1.904 30 10 HDEE C#CCCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300424672 KPJLKNXDFOOKCU-RXVVDRJESA-N 403.527 1.837 30 10 HDEE COc1cccc(OCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1300448132 TXOMCYUDEIPZGR-LJQANCHMSA-N 423.477 1.885 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300495669 JGPCITNHDXKGLY-JTDSTZFVSA-N 410.540 1.307 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ncccc2C)CC1 1300707154 WIALZGXVHYVOQE-UHFFFAOYSA-N 404.522 1.647 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1301003145 DXGVCOJNBJWQKL-HKUYNNGSSA-N 421.542 1.700 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1301119152 YCCCSRVQLVOVII-UHFFFAOYSA-N 421.571 1.753 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301197125 DXECPLZFYFWJEZ-MRXNPFEDSA-N 404.515 1.210 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CC1(O)CCS(=O)(=O)CC1 1301341051 NKYARQZKKILDQB-UHFFFAOYSA-N 415.519 1.591 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301503232 WQYWONOPLIUQHJ-CYBMUJFWSA-N 416.448 1.284 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1301508122 DYEQGOJNCMECPX-UHFFFAOYSA-N 400.527 1.514 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1301968399 LTMWQNIHWLXPGA-ROUUACIJSA-N 403.575 1.794 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1302429700 TVHLHESWWAPTJI-CYBMUJFWSA-N 419.297 1.351 30 10 HDEE CC(C)c1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1Cc1ccc(C#N)o1 1302655312 QIVJMHXCODNTCC-OAHLLOKOSA-N 418.523 1.919 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1303004707 SDOFUVISPONMCU-RBUKOAKNSA-N 424.505 1.607 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCCCCO)CCN1C1CC1 1303005134 XYDRHSVVUIYHIW-HXUWFJFHSA-N 409.538 1.993 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)CCOC1 1303501980 LCLSRFWVBZFMBM-SFTDATJTSA-N 421.542 1.848 30 10 HDEE Cc1cc(O)nc(N2CC[C@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1303599438 DKZRRTOWFPYUJI-HNNXBMFYSA-N 411.466 1.270 30 10 HDEE Cc1ccc(-c2n[nH]c(SCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1304270610 GQFLQVTYGLHOCV-KBXCAEBGSA-N 417.516 1.269 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1316045142 KOGCFHLRZCKHTK-INIZCTEOSA-N 412.450 1.406 30 10 HDEE C#CCN(CC1CC1)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1323471059 VDPUXJJEEUEFQC-UHFFFAOYSA-N 419.547 1.507 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358888529 NYSSHFRTYSNJEJ-IEBWSBKVSA-N 410.522 1.910 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1358912785 YNRYYYGHXUPTIE-LJQANCHMSA-N 417.554 1.955 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358962909 ZAPBCODSSVMSRX-KYHPRHEASA-N 406.552 1.986 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1358970842 YXBQPCLDKWXHGL-VGSWGCGISA-N 411.481 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1358974291 YAZJBNAPGVREGN-YLJYHZDGSA-N 416.489 1.545 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358999270 LUQKPMULONIACK-HXUWFJFHSA-N 424.549 1.777 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1359009728 WWJYTRHECYZXRM-MRXNPFEDSA-N 418.519 1.724 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(F)c2)CC1 1359038496 YLHBHHHIDCGSOM-UHFFFAOYSA-N 410.497 1.538 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1359219114 HHEZURXXFVGOTC-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1359301664 GYQLKKXMTZYSDY-MRXNPFEDSA-N 414.485 1.402 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1359599058 XYVHMGWADPHYSC-IRXDYDNUSA-N 410.478 1.234 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)c1OC 1443590990 WCOFJZIVJQEHRM-QGZVFWFLSA-N 418.471 1.393 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)N(CCOC)[C@H](C)C2)s1 1452260125 PWJOXESQOQDULJ-GASCZTMLSA-N 415.581 1.323 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C[C@@H]2C(=O)Nc3ccc(Br)cc32)CC1 1459459975 AGXXWVIESJQEEY-HNNXBMFYSA-N 418.291 1.863 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCC(c3ccc(C#N)cn3)CC2)c(O)nc1=O 1460514582 MCYGFVZVGMCGKA-UHFFFAOYSA-N 410.478 1.516 30 10 HDEE COC(=O)c1cc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n(C)c1C 1462470305 NSXNSVMJJOEKQH-UHFFFAOYSA-N 418.475 1.242 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)s2)CC1 1468035117 CMXNWOPGUVHECW-UHFFFAOYSA-N 423.495 1.438 30 10 HDEE C#CC[C@@H]1CCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473788531 NVHZBHLDARLYRK-JKSUJKDBSA-N 419.526 1.044 30 10 HDEE C=CCCCS(=O)(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1475356649 DTKUAWTUTVMWSO-UHFFFAOYSA-N 420.578 1.763 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1477431383 QHFZBHVPXQFGFB-UHFFFAOYSA-N 401.529 1.225 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1478475752 DVVCFVDLTMZRGJ-UHFFFAOYSA-N 416.526 1.305 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2CCc2n[nH]c(C)n2)n1 1492740598 AZISWYZLJLSUGQ-UHFFFAOYSA-N 408.514 1.939 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](c2nccs2)C1 1503371387 FSTKTWCINGPCMY-MRXNPFEDSA-N 423.502 1.939 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccc1OC 1504998514 JMGZLKJYELPPDM-WMZOPIPTSA-N 415.494 1.982 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[C@@H]2COCCO2)CCO1 1505323842 ZBRGBWNWQHJFFA-HUUCEWRRSA-N 419.432 1.681 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OCCOC 1507596380 IRNKGGSGKMPUEK-UHFFFAOYSA-N 411.506 1.965 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCCC1 1507616686 MBKSVDAKKMRHOP-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1507652303 FLRVSGDEMIRICG-GOSISDBHSA-N 419.551 1.264 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)C(C)C 1507702751 NKZZREKRYINMQG-HXUWFJFHSA-N 400.483 1.418 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CCOCC2)CC1 1507715447 BBKAKFIFWUYRRU-UHFFFAOYSA-N 420.583 1.084 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1507844466 KJJHLVDRJJFDDO-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507917104 YMVUITPUDQOPDW-HUUCEWRRSA-N 423.539 1.423 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507925729 HGSWKHHXXCWPOF-INIZCTEOSA-N 421.509 1.944 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1508389263 HHQAZWPJKWYQIT-UHFFFAOYSA-N 423.521 1.790 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)C(C)(C)C#N)CC3)[C@@H]2C1 1532559151 WIVDNHRBMMEWCW-CABCVRRESA-N 406.483 1.967 30 10 HDEE CO[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)s1 1536179619 KTNSTOZCKKWIFU-WFBYXXMGSA-N 419.322 1.595 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1538963366 RIOROIJPWLTAPD-CABCVRRESA-N 412.485 1.230 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1539002394 COAMBJALVWGPMV-OAHLLOKOSA-N 412.519 1.920 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1539117266 SPHKYIKZHMODOW-GOEBONIOSA-N 412.498 1.217 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 1539211275 KQTXXDVBRMAOLL-MRXNPFEDSA-N 415.519 1.016 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C(C)C 1539245517 HPGPXESPLIQDPQ-NRFANRHFSA-N 414.531 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCOC1 1539399671 PDBBTCZYANXHOE-LJQANCHMSA-N 401.423 1.091 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1539517004 GYPZDNCLTSKOLV-CVEARBPZSA-N 412.581 1.409 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539793816 YZYRDFKHHBKHRS-AWEZNQCLSA-N 403.874 1.792 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nncn2C)C1 1540895572 VKKMUEAINCUCRX-GOSISDBHSA-N 409.494 1.858 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1545219999 LURPONOQRWQHGQ-OAQYLSRUSA-N 407.478 1.980 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1546856270 AGIFGNOHXXEPPB-MAUKXSAKSA-N 423.521 1.681 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)C1 1555984929 DVIXSWNIYHHMSG-SFHVURJKSA-N 422.486 1.563 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CCCn2cc(CO)nn2)cc1 1555988417 AETZIZIALUNIJJ-UHFFFAOYSA-N 408.466 1.218 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cs1 1557268172 XYLFYHGACORQKY-HNNXBMFYSA-N 422.532 1.922 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CCOCC1 1557577499 HDQZPEMTSGWKSX-IEBWSBKVSA-N 406.504 1.302 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCCCCNC(=O)CC1 1557885628 OLDKUIMTABKDQG-OAHLLOKOSA-N 406.508 1.134 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CSc1ccc(S(N)(=O)=O)cc1)C(=O)OCC 1557933830 AYRMIYXKOOXPQF-CYBMUJFWSA-N 406.913 1.617 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccnc3)C2)nc1 1558465101 WXNFPXSAVLMNAA-INIZCTEOSA-N 414.491 1.120 30 10 HDEE COC(OC)[C@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1565248352 RLHUGAKFYUEZMW-AWEZNQCLSA-N 400.483 1.874 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 1568757431 PBNDGWSAUGFZED-GOSISDBHSA-N 422.570 1.742 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](c3ccccc3)C2)s1 1570353632 VCHWVCDCYYCTOF-QGZVFWFLSA-N 405.545 1.928 30 10 HDEE N#CCCn1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1-c1ccccc1 1585139425 WLRATTRMYCAAIK-JXFKEZNVSA-N 409.471 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1587562729 SGRSCRIAZQCHML-CVEARBPZSA-N 419.551 1.931 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC 1587603391 LBYXTLYMRHLZLD-VFNWGFHPSA-N 400.479 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1587638303 CSHDKMWELNOJJH-NVXWUHKLSA-N 402.520 1.889 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)NC)c1 1587661790 GWPOHWQPWLRJCM-MRXNPFEDSA-N 408.506 1.461 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1587841549 AINJFZLMDQWDFV-UHFFFAOYSA-N 404.540 1.937 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1587975112 NTWMAWCIJNVTPP-OAQYLSRUSA-N 408.462 1.067 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCn2ccnc21 1588089899 QOBLSIXKYPVUBI-GCJKJVERSA-N 408.506 1.777 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1588386978 QZWBDEXWNMPLAC-SJORKVTESA-N 416.551 1.722 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1588444974 BAFHSTSSYGORMR-UHFFFAOYSA-N 408.462 1.047 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1([S@@](C)=O)CC1 1588604364 HXPBDSQLYVVWJZ-HHHXNRCGSA-N 407.927 1.991 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CC2(CN3CCOCC3)CCCCC2)CC1 1588750347 COZJVJKLZQSDLT-UHFFFAOYSA-N 400.571 1.624 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCNC(=O)C2CC2)CC1 1588848436 FSUJSAQJJRRYBT-UHFFFAOYSA-N 422.533 1.159 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1593809076 WXZWEZCYXBPDKE-QWHCGFSZSA-N 401.858 1.393 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1594943110 KMWGNLOYJDIPQF-LJQANCHMSA-N 405.506 1.972 30 10 HDEE C=CCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1595453003 IBPCJPQZIZLNLS-OAQYLSRUSA-N 418.542 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1595529814 IUHLZMCIGSNKLP-SFHVURJKSA-N 419.489 1.485 30 10 HDEE CC(=O)N1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1596031609 QQTCYTKAQBAWOZ-YLJYHZDGSA-N 404.490 1.873 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](CO)CCc3ccccc3)C2=O)cc1 1596497731 OTQCSOPRGHEXFJ-QUCCMNQESA-N 420.469 1.873 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1598055052 PLCDVMVKBWPHFD-HNNXBMFYSA-N 411.510 1.679 30 10 HDEE C[C@@H]1CCCN(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1612775477 AGCUISUXNYJHGZ-SJLPKXTDSA-N 412.542 1.918 30 10 HDEE C=CCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1617224528 BDWWAFXWIHMXOX-LEWJYISDSA-N 415.534 1.776 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1617933105 FVMLLQQNCDKBEG-KXBFYZLASA-N 416.540 1.604 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1622146000 HGKFOWZJNWZUAZ-RYUDHWBXSA-N 422.320 1.665 30 10 HDEE C[C@@]1(Br)C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062508 VKUOKIOYDBOXHP-GDBMZVCRSA-N 412.309 1.565 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1626086764 BQZOWLJOOFFEJK-NRFANRHFSA-N 416.526 1.727 30 10 HDEE COc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1S(=O)(=O)NC1CC1 1628399484 WQFPUFZCYKIRRD-UHFFFAOYSA-N 400.456 1.732 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CC(=O)NC2=O)cc1 1630687295 OSPHJYSWGHLVPX-GTMGWDBPSA-N 420.491 1.271 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 1631312167 IKGSVZUESAHYGX-CYBMUJFWSA-N 412.512 1.353 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)s1 1634301739 CFPALKYSTOKREY-CQSZACIVSA-N 420.578 1.181 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CN(C(=O)OC(C)(C)C)C1 1634472644 HZUNKNITVLRGNB-OAHLLOKOSA-N 417.510 1.845 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCn1cncc1-c1ccccc1)c1cc[nH]n1 1634510886 CJZKMIPRQFMZJY-UHFFFAOYSA-N 410.434 1.373 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918793 NZBVVQBBEQBROX-LEWJYISDSA-N 417.469 1.906 30 10 HDEE CC(C)(C)c1ccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1635692895 PGQHLIQRERUSNJ-JXFKEZNVSA-N 403.504 1.111 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCO[C@@H]2CCC[C@@H](C)C2)CC1 1636479448 BAZINYOEFWEYKQ-RTBURBONSA-N 413.584 1.754 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)CCCCO)nnc12 1638714861 SMZUBSFLIBURAD-CQSZACIVSA-N 415.519 1.990 30 10 HDEE CNC(=O)[C@@H](CNC(=O)C#Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(F)c1 1638952480 MHVVGPGCXAEWGX-MRXNPFEDSA-N 412.417 1.636 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@H]1CCOC1)C(F)(F)F 1639956961 WEYQAPLRIBZSBQ-IINYFYTJSA-N 405.398 1.199 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]34CCCN(CC3)C4)CC2)cc1 1640389955 HAGVLSGGZOLDIH-OAQYLSRUSA-N 416.547 1.561 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)CCOC1 1640827548 ITKJGQIRCIDRNI-NRFANRHFSA-N 403.454 1.451 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CCN(C)C)c2cccnc2)c1 1645040447 QQADJWKBJUKWBP-LJQANCHMSA-N 400.504 1.416 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)c1 1645090760 CLLFIGZKMHAKRF-GOSISDBHSA-N 405.516 1.877 30 10 HDEE CC(C)(C)OC(=O)N1CC(OC2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)C1 1645929301 DBNKMTWOOVLMKA-UHFFFAOYSA-N 415.494 1.992 30 10 HDEE CCOC(=O)C[C@H](O)C(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937742 MWLAVAJHLQZEPV-PRJMDXOYSA-N 413.261 1.930 30 10 HDEE N#C[C@@]12CN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1648415891 QWTOTXJJNOEIFY-QRTARXTBSA-N 413.421 1.681 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)CC1=O 1648719443 NLLRIXGZDZQXCN-PWHSHALESA-N 409.534 1.798 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3[C@H]4CC[C@H]3CC(CCO)C4)C2=O)cc1 1650776546 WZGVMXDUQCNOIE-GBESFXJTSA-N 410.474 1.915 30 10 HDEE CO[C@@H]1CCCN(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1652178220 FLAPWYKCCCKEBR-QGZVFWFLSA-N 406.508 1.101 30 10 HDEE COCCOc1ccc(Nc2c(C#N)c(=O)n(C)c(=O)n2C)cc1Br 1652297273 OSXNNIRKPWSNBT-UHFFFAOYSA-N 409.240 1.487 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 1654184668 YOFUEESWPPJVCC-IERDGZPVSA-N 401.463 1.652 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCc3nnn(C)c3C2)c(=O)c1C#N 1654530647 DIVJQMLXERYFRU-SNVBAGLBSA-N 405.256 1.103 30 10 HDEE C#CCC1(N[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCC1 1654870839 KJKZYKDMPVZFOY-INIZCTEOSA-N 405.520 1.570 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1656233736 CBQVELBPWFLCCC-HNNXBMFYSA-N 400.522 1.178 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 1660229559 HAIBMFAQKHZDKM-UGKGYDQZSA-N 400.523 1.747 30 10 HDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc21 1663626565 HHDPULAAAILBEI-RHSMWYFYSA-N 402.520 1.908 30 10 HDEE Cn1cc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)o3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1664603262 FTAVJAJITRQXDS-LSDHHAIUSA-N 421.479 1.566 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 1665326107 WCRACRNDYXEHQK-NSHDSACASA-N 404.282 1.942 30 10 HDEE COc1ccc(Br)c(CS(=O)(=O)N2CCN(CCC#N)CC2)c1 1665598044 HPEABSOYUQEZLL-UHFFFAOYSA-N 402.314 1.819 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1668264558 ATUUOEJQGMVZBL-KRWDZBQOSA-N 405.524 1.531 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1670587923 HXZQNDPXJKSVMA-MOPGFXCFSA-N 424.519 1.324 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(CC)cc2)C(C)C)CC1 1676531327 JDCQIWBFVNTXFY-IBGZPJMESA-N 406.552 1.741 30 10 HDEE Cn1nnc(CNC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1680773386 MQVCYVDNQMQTIT-PHDIDXHHSA-N 408.253 1.523 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1681129988 INDQQVIQEAEBOR-ACRUOGEOSA-N 410.518 1.457 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 1681528145 CSQISLASCRBFEX-OALUTQOASA-N 404.536 1.193 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)[C@@H]1CCS(=O)(=O)C1 1682609440 SBYZNFQMOOQVFK-NCOADZHNSA-N 408.524 1.212 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)c1C#N 1685482884 FKESRNOQRGAOCM-MRXNPFEDSA-N 404.540 1.408 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689978467 WDUKRNPCEGCIFU-OWCLPIDISA-N 407.540 1.260 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCSC1 1690106304 QNJCXPYAJCURSV-FQEVSTJZSA-N 420.510 1.950 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CC1)N(C)C 1690190016 JATARUZFLAPHLR-ZSZQSSIHSA-N 408.572 1.221 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1690347512 HUEZWRYUFALCKI-UHFFFAOYSA-N 401.895 1.746 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690630976 DLOVCDTYNKFSBO-UHFFFAOYSA-N 412.494 1.313 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1694782660 WATIIHIMRIXMCE-ROUUACIJSA-N 410.478 1.337 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)C(C)C 1696332966 VRBMNTFMISDNTO-OAQYLSRUSA-N 413.526 1.815 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCC2)c1 1697307976 BNMRCVDFXRRKGL-GOSISDBHSA-N 413.478 1.996 30 10 HDEE COc1ccc(COCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697464378 AELLFLPNUQYYBN-HKUYNNGSSA-N 413.478 1.736 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)CCO1 1698490562 DNPXXITXURXLGF-GFCCVEGCSA-N 407.272 1.679 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCOc1cccc(C(F)(F)F)n1 1705540782 MVMBBBDWAINDRM-UHFFFAOYSA-N 410.400 1.979 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705563186 SEDCUWYRMWZJTD-QGZVFWFLSA-N 417.535 1.569 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1705612166 AYTBAIVNPYHFNW-OKZBNKHCSA-N 407.584 1.760 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(C)c2)CC1 1705642954 NLVKRDXYJKSLPU-UHFFFAOYSA-N 409.469 1.533 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1705674865 SPAGCWPUQZQCQB-RZQQEMMASA-N 421.567 1.649 30 10 HDEE C=C(C)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1705728333 GSCOUQSWUHWNHQ-HXUWFJFHSA-N 407.515 1.238 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1705898438 LWOPSIDDUDYNSP-INIZCTEOSA-N 413.478 1.645 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2cnn(C)c2)CC1 1705903459 WPOVGUPSALNORB-GOSISDBHSA-N 413.526 1.939 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCOC2)C1 1705920647 BUMMFILKMPEMOF-HNAYVOBHSA-N 405.886 1.926 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705943239 RZZQFPASMLCMOB-KRWDZBQOSA-N 414.539 1.909 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC=CCO1 1706866187 HNAAVHZLLZUALP-LSDHHAIUSA-N 408.528 1.363 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1709191571 GMYQYXYHIGRJCL-GOSISDBHSA-N 420.477 1.225 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(C)(C)O 1711245089 OQFVRNZZAVAZKO-ZDUSSCGKSA-N 423.315 1.936 30 10 HDEE COC[C@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1712147639 FPUBTUATQDEJER-HOTGVXAUSA-N 414.514 1.440 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCc2ccco2)C1 1712875736 GYICJVYJKPGKEF-HXUWFJFHSA-N 409.425 1.615 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722285821 YHHTVBSDRLZWOR-MGPUTAFESA-N 402.520 1.515 30 10 HDEE C#CCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722339174 RBAFCIFORJFYGG-XGHQBKJUSA-N 401.511 1.447 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCO[C@@H]1C(C)C 1722419099 NNDOROUOAZBMMX-QZTJIDSGSA-N 403.527 1.661 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H](F)COC)CC1 1722436103 XBAXEYUJYAUMIY-QGZVFWFLSA-N 417.485 1.702 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H]1C 1722466716 CYGKPFPBUDSWKI-GPMSIDNRSA-N 408.572 1.365 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1NC(=O)CC1(C)C 1722468752 PIPAYUFDZGCAGP-CKJXQJPGSA-N 403.527 1.909 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722540755 GZRSTMHUOVTFOT-UHFFFAOYSA-N 418.951 1.077 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722629254 OGZZCSSHXDESAH-HXUWFJFHSA-N 418.498 1.024 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N[C@H](C)CC)C1 1722713355 GMCRYUGTQLTWFO-BZUAXINKSA-N 404.515 1.315 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1723772767 APNKPPABERXJRE-UFOSLELVSA-N 406.450 1.605 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1C 1724000908 BCNNCNGAMKNSNJ-KBPBESRZSA-N 412.429 1.463 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1729164603 FYWQMQKCLUXDNY-XLIONFOSSA-N 404.515 1.143 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1729396308 CJWAZCQXUBTFKV-JXFKEZNVSA-N 412.519 1.605 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)C1 1730998729 QJOWOTAEHFHOOZ-CRAIPNDOSA-N 415.519 1.867 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCOC(F)(F)F)CCN1C1CC1 1731188312 DOLIXNHCJQCANE-AWEZNQCLSA-N 422.415 1.838 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCOCC2)CCO1 1731190465 QVGKUCSWOIWYTN-ZWKOTPCHSA-N 404.515 1.013 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1740294985 NOZPOTQFRGWYAK-FFRIZKCHSA-N 404.511 1.066 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740622037 SPUALZJVKMHHTC-IRXDYDNUSA-N 415.519 1.603 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740640024 YQSMPKWGSAJCBA-FGZHOGPDSA-N 419.529 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1740653700 UYXFHLXXWSUXNQ-LJQANCHMSA-N 424.549 1.337 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(=O)NC)c1 1740685566 OBRVGBUEXKJNIB-LJQANCHMSA-N 411.506 1.666 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740862612 ZGPOOBCBIJFDOZ-AWEZNQCLSA-N 415.498 1.106 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740954399 LINFTJJNTSORQA-SFHVURJKSA-N 419.489 1.320 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1740956383 LBAFQYMMUKYCQI-AWEZNQCLSA-N 416.869 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1740959459 WHSGDSAPEDQWOZ-CYBMUJFWSA-N 409.450 1.121 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2CCCO2)CC1 1740959874 GJNILLQGUJBAQL-QZTJIDSGSA-N 403.527 1.870 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1741001095 KWVQXVUSZPHJGM-LSDHHAIUSA-N 404.540 1.350 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1741801427 APOPOZXZNKZRON-ZIAGYGMSSA-N 420.543 1.313 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746291115 UUHVIFRHIFFAOU-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CC1 1746468136 IVLYSGYMIDYHOQ-RBUKOAKNSA-N 403.575 1.796 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC=C 1748914988 QYCWUCYPVPJJTL-UHFFFAOYSA-N 403.464 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1749010576 SSSDDKLTUAKESW-INIZCTEOSA-N 414.554 1.674 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)C 1749114352 APBLMHJWBNGIRJ-FUHWJXTLSA-N 418.542 1.456 30 10 HDEE C=C1CCN(c2nnc(COc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1749311461 OAGSIKWKWBYKBF-UHFFFAOYSA-N 421.523 1.571 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C[C@H](C)O1 1752322063 XRGQERKWTNRDSD-GJZGRUSLSA-N 418.523 1.322 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1Cc1nnn(C)n1 1760196011 DKGPRZLWZLSBJB-CQSZACIVSA-N 406.519 1.776 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(C)(C)C(=O)NC)CC1 1760259829 HPTZWIIESRRWOG-UHFFFAOYSA-N 419.533 1.954 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCNS(C)(=O)=O 1760306270 AJKUFTSNMMUIOS-LBPRGKRZSA-N 422.349 1.414 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCC[C@H]1C 1760504270 MWKKUXWZCYEHSY-VQIMIIECSA-N 424.509 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760518523 BASHPPPHUUITTC-WBVHZDCISA-N 401.467 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760519224 WSNSKFYPYFCIOK-UHFFFAOYSA-N 412.494 1.597 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1760692878 FDRLDNNVRWKMQP-RDJZCZTQSA-N 404.515 1.658 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1=O 1761125530 FRFYAFUSPCEJAI-UHFFFAOYSA-N 406.450 1.553 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1762630838 QLOYKSDUEVBNLF-IRXDYDNUSA-N 409.450 1.024 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](F)COC 1763221083 CKAYHYLXXRPPRP-WBVHZDCISA-N 416.457 1.428 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)OC 1764276190 HDPRUHGVORTUPP-QGZVFWFLSA-N 412.494 1.855 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC(=O)NC(C)(C)C)CCOC1 1765817372 DKVFKCDNNNCXLR-FOIQADDNSA-N 406.531 1.831 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1)OC 1769237677 GVOKWGOHONMFHN-ZYSHUDEJSA-N 415.494 1.718 30 10 HDEE CS(=O)(=O)NCC1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1770353717 BVZPCFNPBPOIBF-UHFFFAOYSA-N 404.496 1.434 30 10 HDEE CN(C)S(=O)(=O)CCNC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1849957822 DPHYSWCDWIHBOJ-UHFFFAOYSA-N 415.519 1.330 30 10 HDEE N#Cc1c[nH]cnc1=NC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1851661486 KPWLXSPSPOQQQN-UHFFFAOYSA-N 402.462 1.547 30 10 HDEE COc1cccc(C#N)c1OCC(=O)NCC1CCN(S(=O)(=O)C2CC2)CC1 1852227510 IOKBDPUUACQICD-UHFFFAOYSA-N 407.492 1.266 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)OCCO[C@@H]2CCS(=O)(=O)C2)c2ccccc21 1852634849 ADUHEVIIJOQPLZ-MRXNPFEDSA-N 422.503 1.821 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCOc2ccc(OC)cc2)C1=O 1854283143 XDPKRBFJXNVLIP-RBUKOAKNSA-N 415.490 1.310 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1854312812 OQIPVDRPCYULDC-WMZOPIPTSA-N 405.520 1.475 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCC(F)(F)F 1854879728 KTPBOCHDCGQPII-LLVKDONJSA-N 403.382 1.513 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n(C)n1 1854953852 NCKIMSGZRZBYMQ-KRWDZBQOSA-N 408.462 1.280 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cn3cnc4c3CCCC4)C(=O)C2)C1 1854985959 UGZJVWZBGNAGTR-ROUUACIJSA-N 412.538 1.199 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)c2ccccc2S(=O)(=O)C(F)F)C1 1855427019 JDPZVRYCQZHILS-CYBMUJFWSA-N 413.446 1.907 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807074 NMSIWDYXRGGIIH-OLZOCXBDSA-N 411.430 1.742 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCOC3)C(=O)C23CCCC3)cc1 1856299606 URXMYOYMRVTXCJ-INIZCTEOSA-N 417.487 1.267 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4sccc4C3)CCC2=O)CC1=O 1856719150 XLIFSYSDUHGJIG-WBVHZDCISA-N 401.532 1.906 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(Cl)n3)C2)CC1 1857055809 IMVGMTRIYWVPGV-CYBMUJFWSA-N 410.883 1.289 30 10 HDEE COCCN(Cc1cccn1C)C[C@@H]1CC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1 1857256085 XUTKHOGYNIBQAS-FQEVSTJZSA-N 408.502 1.963 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2nc(C(F)(F)F)n3ccccc23)c1 1867289300 WIVNJPOCOXKABA-ZDUSSCGKSA-N 417.347 1.954 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491620 JIKXURSTUXKMEJ-UHFFFAOYSA-N 401.902 1.720 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2C[C@@H](C)C[C@H](C)C2)n1 1871507159 IVIGVWXCHBICPB-KBPBESRZSA-N 417.539 1.765 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCCCO)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536840 KMDPTKGOKCQSRV-UHFFFAOYSA-N 412.494 1.941 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccccc2CC)[nH]1 1871558109 SFHHPIURKORPIE-UHFFFAOYSA-N 411.510 1.898 30 10 HDEE C=CCN=c1nc(Nc2ccc(C(F)(F)F)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871681759 CFNKBNAELICVHU-UHFFFAOYSA-N 423.443 1.768 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCc3ccccn3)ncnc21 1875230745 MIFVPVOPOUDLRY-UHFFFAOYSA-N 419.489 1.962 30 10 HDEE CC1(C)OB(c2cnc(N3CCO[C@@H]4COC[C@@H]43)c(Br)c2)OC1(C)C 1877611483 HTPVODMNZAOWTF-UONOGXRCSA-N 411.105 1.747 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)N[C@H](C(=O)O)C(C)(C)S 1882714792 XMGBWNLKSNMOQW-WDEREUQCSA-N 403.526 1.857 30 10 HDEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1OC 1889433767 GXGMAPAXSKZZRI-UHFFFAOYSA-N 415.534 1.576 30 10 HDEE CN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)C1CN(c2nccnc2C#N)C1 1891713258 PTBFJXPPJQCVSC-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 2010395321 IGRDFBOPBWNBBB-AWEZNQCLSA-N 423.319 1.273 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)s1 2054405595 MRZWUVHNVVTGSR-OAHLLOKOSA-N 421.500 1.936 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCO1 2174781862 JTDFIEGRWACFDV-ZNMIVQPWSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 2176034951 QCQOMQSXSQFACR-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE COC(=O)C1(C(=O)N[C@@H](CCS)C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2180703948 YOZYMSPVPANWHQ-NSHDSACASA-N 404.485 1.066 30 10 HDEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)CS(C)(=O)=O 2186602055 LYFPLXDMQIYMDU-NSHDSACASA-N 423.387 1.372 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2235430283 VARQNJWHRXATMS-HUUCEWRRSA-N 401.359 1.291 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)CC3CC(=O)C3)n2)OC1(C)C 2241206184 GIVHYVZLDXYSPZ-UHFFFAOYSA-N 400.693 1.755 30 10 HDEE COC[C@]1(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2243379788 PDQNGQSHUULTCI-FQEVSTJZSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2243702772 SLHYKIUZMNZLPC-GJZGRUSLSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2247826864 ARJVHVUPOXSPTP-JYAVWHMHSA-N 418.303 1.304 30 10 HDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2247919920 ZXAPGBWNHCURCN-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247929034 CGFWVRZSTHNYBE-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE Cn1nnc(CNC(=O)OC(C)(C)C)c1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2248441760 HNSLVTGHGWBSME-UHFFFAOYSA-N 421.307 1.757 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258157465 CVPDCTWFACMLNB-DLBZAZTESA-N 410.492 1.422 30 10 HDEE C#CC[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258183131 NWOQZWHLDFDGGS-DLBZAZTESA-N 408.476 1.574 30 10 HDEE CCn1ncc(NS(=O)(=O)c2cncc(C#N)c2)c1I 2280049052 GFKPMDFUACWGKI-UHFFFAOYSA-N 403.205 1.575 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H]1C1OCCO1 2281983037 XVMPLGQTGZZVIV-HNNXBMFYSA-N 403.284 1.972 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@]1(C)CCO 2282312377 VYIVLAAKYHJQGK-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@]2(O)CCSC2)sc1B1OC(C)(C)C(C)(C)O1 2282320362 HILOLTBULIFJOA-INIZCTEOSA-N 419.399 1.502 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3CC[C@H](N)C3)c2)OC1(C)C 2282345180 YLBFYZVLVIHJRC-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3CC[C@@H](N)C3)c2)OC1(C)C 2282345184 YLBFYZVLVIHJRC-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCC[C@H]3CCCN3)c2)OC1(C)C 2282345298 OKLNKCHFTGZJOK-CQSZACIVSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3COCCC3(F)F)s2)OC1(C)C 2282351445 ANNLHSPTRQYTCN-JTQLQIEISA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2CC(N)C2)OC1(C)C 2282493334 SWSMOJDTTDLPSQ-UHFFFAOYSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(F)CCNCC2)OC1(C)C 2282496332 YYPSTNCAUOEJCH-UHFFFAOYSA-N 404.338 1.417 30 10 HDEE C[C@H]1CCNC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505988 LUVSCRHBOSIVMS-GXTWGEPZSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(CCN)C3)ccc2Cl)OC1(C)C 2282507806 MKTAAALCHJJJFI-UHFFFAOYSA-N 400.737 1.609 30 10 HDEE CN(C)CCN(CCN)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282617025 HGYNXNWTQJHBIN-UHFFFAOYSA-N 401.769 1.663 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC[C@@H]3CCCN3)s2)OC1(C)C 2282854743 VMCSPYYUGCYGGD-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@](C)(CO)C2)OC1(C)C 2282881965 FMIFRTKYHNFGKN-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CCN([C@H](C)C(=O)O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284413738 NCABVFFBCGXFDO-LLVKDONJSA-N 403.331 1.839 30 10 HDEE CC#CCN(CC(=O)Nc1nc(O)nc(O)c1Br)C(=O)OC(C)(C)C 2316051154 YXLUWTUFBMRQDV-UHFFFAOYSA-N 415.244 1.849 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316810118 WLMLKGXZMMABRK-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCC#CBr)(C(=O)O)C[C@@]12CCCOC2 2324773147 LWTVXCOREGPHOR-IAGOWNOFSA-N 417.300 1.945 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]4CN[C@H]3C4)cc2Cl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c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 24442647 WMJUFEGVBDQCJP-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(Br)cc2F)CC1 53309715 DDBQHRZYFMWPOY-UHFFFAOYSA-N 414.275 1.413 30 10 HDEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1 59817153 SZGQFIQRNUJYSF-CNHKJKLMSA-N 413.467 1.673 30 10 HDEE NC(=O)c1ccccc1OCC#CCNS(=O)(=O)c1ccc(Br)cc1 90743948 VEZSKNRJCMJSSA-UHFFFAOYSA-N 423.288 1.909 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1=O 410142369 OZVBFZIGYDDGPT-QWHCGFSZSA-N 424.479 1.285 30 10 HDEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434545864 CUZTYGLLQATAQP-FQEVSTJZSA-N 424.482 1.651 30 10 HDEE N#CCCn1cc(CN2CC(S(=O)(=O)NC3CCCC3)C2)c(-c2ccncc2)n1 434984606 BIEVEWMWQMXORI-UHFFFAOYSA-N 414.535 1.905 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 444874906 QZDXERNUBKRYTO-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 463083548 GWYVERSPMRCDJC-XLIONFOSSA-N 407.470 1.912 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CCN1S(=O)(=O)CC1(C#N)CCC1 474596189 RFWHOJZMJLDHNL-OAHLLOKOSA-N 414.553 1.040 30 10 HDEE COC(=O)[C@H](NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1cccc(O)c1 497796632 DTHCNSHRMXWIKK-LJQANCHMSA-N 407.430 1.887 30 10 HDEE CCOc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N(C)C 505013656 MIVCAYOZOODPOY-UHFFFAOYSA-N 422.507 1.426 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)cnn2C)c1=O 505636794 LXLOWFQBTLKOBN-UHFFFAOYSA-N 420.494 1.532 30 10 HDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 508710488 ARTCKHYDGKVPPK-AWEZNQCLSA-N 406.284 1.845 30 10 HDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 508809904 AURBYVXBFGNCIS-UHFFFAOYSA-N 402.499 1.226 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)N(C)C)CC1 531078984 VRUDQNVRUIOWGX-SFHVURJKSA-N 407.946 1.572 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 558980543 HNRYXSXWJAVGQU-HOTGVXAUSA-N 420.539 1.907 30 10 HDEE O=C([C@@H]1CCCN(CC#CCN2CCC[C@@H](C(=O)N3CCCC3)C2)C1)N1CCCC1 560158775 AYLMHUPOEJBTDA-FGZHOGPDSA-N 414.594 1.659 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCc3onc(C(=O)O)c3C2)c1 565385418 FBZLBSYWLQVMGO-UHFFFAOYSA-N 412.221 1.754 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccc(F)cc1 571465948 CQGRHTHGQFBXHC-UHFFFAOYSA-N 415.396 1.565 30 10 HDEE N#Cc1cccc(C(=O)[C@@H]2CNCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 585837350 DZBTUHKNDXVBJT-MSOLQXFVSA-N 423.385 1.965 30 10 HDEE Cc1nnc(O)c2c(NC(=O)CN3CCN(c4ncccc4C#N)CC3)oc(C)c12 589239756 BJIUZPNWSHMBOH-UHFFFAOYSA-N 407.434 1.573 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)NC3CCN(CC#N)CC3)C2)c1 610683974 JXQSYUUKUQSZPX-INIZCTEOSA-N 401.511 1.817 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)nc2C(F)(F)F)CC1 669992368 SAUAKRDQAQUFOU-UHFFFAOYSA-N 401.389 1.561 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(Br)ccc1N1CCOCC1 679530753 NTMJPTZHRTWMPM-UHFFFAOYSA-N 412.284 1.543 30 10 HDEE C=CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726577847 BGLWLPCPPMRJDD-OAHLLOKOSA-N 419.510 1.795 30 10 HDEE C#Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 729029737 GJRJKCXBVHXPPT-CHWSQXEVSA-N 401.444 1.133 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)cc1C 731730975 WKOGDSOMSYVAJD-UHFFFAOYSA-N 409.508 1.811 30 10 HDEE COc1ccc(C[C@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732462037 DLIIYNGXTWFWIP-HVCBDAARSA-N 402.451 1.460 30 10 HDEE C#CCN(C(=O)CCc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CCS(=O)(=O)C1 746153426 YQRJPILWDXPTKJ-HNNXBMFYSA-N 407.879 1.972 30 10 HDEE COc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1C#N 746877304 PSFUCRNDWXSXER-UHFFFAOYSA-N 416.455 1.818 30 10 HDEE CCOCCC(=O)[C@H](C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 751825497 AITPSMSAZCYMET-KRWDZBQOSA-N 407.492 1.935 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nn(CC)c(=O)cc3C2)ccc1F 752743504 LWVOGIGXTRYUSY-UHFFFAOYSA-N 420.466 1.065 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1Cc1ccccc1 767954182 AUHWVLSSNAACNG-UHFFFAOYSA-N 419.506 1.973 30 10 HDEE COc1ccc(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)cc1C#N 771776548 PWNOQSBVPKBJEE-UHFFFAOYSA-N 403.460 1.913 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1OC 771777306 SIQAQLVIHYWCAF-UHFFFAOYSA-N 420.443 1.849 30 10 HDEE C#CCN(C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)[C@H]1CCS(=O)(=O)C1 774058451 LVQCWBHEDRGMPN-HNNXBMFYSA-N 410.459 1.470 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(-c2cccc(OC)c2)no1)[C@@H]1CCS(=O)(=O)C1 774239211 BUWCKBGQYWXCAT-UKRRQHHQSA-N 418.475 1.638 30 10 HDEE CC1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 780779157 PTIKOTZVUZQLGW-OAHLLOKOSA-N 417.487 1.776 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781935712 TUEHDXSGVAJGPP-SFHVURJKSA-N 406.402 1.703 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)[C@@H](C#N)C1 796491458 GSQXUGGCSLDGEK-LSDHHAIUSA-N 414.462 1.088 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 805798807 RUQXQDHEDCVLCT-BZSNNMDCSA-N 407.559 1.666 30 10 HDEE COc1ccc(C(=O)OCc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 813162321 MGUSUSYXOSNNFO-UHFFFAOYSA-N 417.443 1.340 30 10 HDEE C=CCN1CC[C@H](N(C)C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1=O 816598410 ARQKWIGDNRPWHM-IRXDYDNUSA-N 408.543 1.468 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N[C@H](C#N)c3ccc(F)cc3)cc2S1(=O)=O 918006594 YMSBPXCKXURMKZ-MRXNPFEDSA-N 417.418 1.611 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCCN2C(=O)CN(C)C2=O)CC1 926055027 CLKXUOYEZVRTBR-RDYUPDBUSA-N 406.483 1.523 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1124450671 IAHVDMQVZUKCBT-UHFFFAOYSA-N 405.296 1.701 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(=O)n(C)cc2Br)c1 1125570695 ZIRAZODJRZVLBK-UHFFFAOYSA-N 402.248 1.522 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](S(C)(=O)=O)CC1 1128437809 WJZHAJKZMQIFND-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1 1135836388 LMARECNUHJBJHO-VQTJNVASSA-N 406.490 1.022 30 10 HDEE C#C[C@@H](CO)NC(=O)Cc1ccc(I)c(Br)c1 1141496756 UBPFPINGWCTMJT-VIFPVBQESA-N 408.033 1.707 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=O)nc1O 1141552236 HUASDBBZPBIFBG-MYJAWHEDSA-N 412.290 1.846 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(COCCO)cc3)C2=O)cc1 1142701633 BGNATNPJHPXHSP-LJQANCHMSA-N 422.441 1.911 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)ccc2c1=O 1143642666 CVAFECMYWDDCRK-CQSZACIVSA-N 412.475 1.771 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1cccnc1 1162283628 AXJOAINTYKURAJ-KRWDZBQOSA-N 416.503 1.530 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2ccncc2C#N)cc1 1166494816 QMLLWPFGVJGMDR-UHFFFAOYSA-N 404.473 1.187 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C 1174642518 VENWZLVONYISHK-UHFFFAOYSA-N 424.523 1.714 30 10 HDEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1176001146 JLOMPTJJXGQKQG-UHFFFAOYSA-N 423.535 1.799 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](COC)[C@@H]2CCCOC2)s1 1178048906 YOSONPCNXZIAOV-UKRRQHHQSA-N 402.538 1.313 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOc3ccccc3[C@H]2CO)cc1 1178769171 HWZDVUFTHFRZDK-GOSISDBHSA-N 400.456 1.428 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)cc1 1184117877 OTGCBVVKXPVIFF-LEWJYISDSA-N 408.502 1.648 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CC1 1213773306 NWVFGMULZUGAHJ-UHFFFAOYSA-N 407.941 1.976 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(Cc4ccncc4)CC3)CC2)cn1 1221222130 CNZQJMAWLWXGFR-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1251789873 NIKPBPVOCLHGBL-STGLLQLASA-N 405.499 1.095 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1286275557 OCRBWKYETWWRLQ-ZDUSSCGKSA-N 417.539 1.093 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286395043 QJVBKQOEZNIOHG-AWEZNQCLSA-N 424.473 1.824 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1286400170 YEURHTYWAXTCIS-SJORKVTESA-N 420.583 1.082 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1286444150 QNTDVZGHILRRAS-ULQDDVLXSA-N 402.543 1.577 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@](C)(O)c2ccco2)CC1 1286472324 RYEINYVWFZIPHQ-UTKZUKDTSA-N 417.510 1.258 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](F)COC)CC1 1286481615 HMHZXPQNBRATDV-KRWDZBQOSA-N 411.485 1.256 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286950103 BTCOTXZRNQAILL-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE CC(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)N1CCCC1 1287155889 FYINPCARIIBZKA-LJQANCHMSA-N 407.522 1.873 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1289437533 YGCRNPQAJJTMBL-MAUKXSAKSA-N 408.907 1.785 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cs1 1290435045 FQTAQLBZUBCJIK-DLBZAZTESA-N 418.523 1.558 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNS(C)(=O)=O 1293149934 JPIHELFKMOSAOE-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)C1 1296518311 AWWCNPPLYLXQFX-UXEPBGEESA-N 417.307 1.869 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297131310 AZRFMXPTQXVATL-PSEQUABUSA-N 402.499 1.823 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1300268141 NPXPFXMKFYMXLE-OAHLLOKOSA-N 421.509 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1300303255 HXICANDKWPQXHG-GJZGRUSLSA-N 400.483 1.184 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@H]21 1300365544 YQAQNMLWWVCMAU-ZACQAIPSSA-N 407.540 1.403 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(F)cc2C)CC1 1300681462 QKYTVVXUKVMYCH-UHFFFAOYSA-N 424.524 1.960 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(N(C)C)cc2)CC1 1300697947 LKJUCOWFZXPLLO-FQEVSTJZSA-N 421.549 1.293 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1 1300863155 JMVKKGBQWBHQBN-HZPDHXFCSA-N 407.540 1.064 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)CC1 1301130284 VHWHJLWAOXYCKI-UHFFFAOYSA-N 421.567 1.628 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)C1 1301557308 ODDHMUNDCJAHHA-IAGOWNOFSA-N 403.527 1.870 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1301969604 ZGTKPGDTXNTBDQ-OWCLPIDISA-N 410.544 1.192 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1303384793 DGMILSJAVDDHDI-OXQOHEQNSA-N 403.531 1.267 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1303730672 VLWNEFRWKXUDIG-ZIAGYGMSSA-N 407.492 1.163 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1OCCC1(C)C 1303835603 CGRUXLNXTDRLQC-AHIWAGSCSA-N 414.507 1.145 30 10 HDEE C[C@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1304001369 ANKZPKBPZLIKMO-IMJJTQAJSA-N 402.394 1.310 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H](CO)c1ncc[nH]1 1304129504 KZFWXXNHSFYGMM-SJORKVTESA-N 411.462 1.965 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1313491659 HLGUYCZMKNLIRY-UHFFFAOYSA-N 404.478 1.812 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1313781480 QHMIOAVGUJEWCJ-HOCLYGCPSA-N 419.507 1.698 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1316101725 OHSZRKCCNIXKDR-OALUTQOASA-N 418.542 1.797 30 10 HDEE COc1ccc(CNC(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1318037178 LPMDWVATLYRSAS-KRWDZBQOSA-N 407.426 1.779 30 10 HDEE CCN(CCC#N)C(=O)CN1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1319403815 WMFNDCPQVUXAHY-GJNTUIEKSA-N 400.523 1.096 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1323999582 IZYYOWPHBAMKLP-MRXNPFEDSA-N 404.515 1.812 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1358872404 UIGITQPYVXHRBM-HUUCEWRRSA-N 418.523 1.375 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1358889570 DJGUEMVNLOPMPU-DZGCQCFKSA-N 419.507 1.099 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCc1n[nH]c(C)n1 1358941548 OGOGNODYYNEMBK-UHFFFAOYSA-N 411.466 1.710 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCc2nccn2C1 1358969968 BBLYWUAMTNZOOY-WMZHIEFXSA-N 422.533 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1CC 1358971280 OZYYMVZHVBVGBN-UHFFFAOYSA-N 413.283 1.768 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1358999060 BNTRFDVCYNZBFW-NDEPHWFRSA-N 401.536 1.803 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C(C)C)N2CCOCC2)CC1 1359167414 FMZFYIHVWJZOME-LJQANCHMSA-N 416.570 1.914 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1359230159 IBKSCDMVRRSXOF-QGZVFWFLSA-N 413.526 1.904 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1360784871 LKJAXNAADHZNSY-LPHOPBHVSA-N 405.524 1.657 30 10 HDEE Cc1nnc2n1CCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@H]2C 1440291847 WSFDUJGYCXDUNF-LRDDRELGSA-N 407.434 1.267 30 10 HDEE CC1(C)CCC[C@@](O)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1441013401 SSFQZAANNASFOZ-FQEVSTJZSA-N 405.520 1.722 30 10 HDEE CCCN1C[C@@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1441251735 YEHUWVGEVIMEHC-AWEZNQCLSA-N 412.469 1.773 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CS(=O)(=O)c3ccccc32)c1 1446518441 LORWMJSVNAXTED-OAHLLOKOSA-N 408.432 1.381 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCN(O)C1=O 1450156723 LWSUQSZGOCCDOR-HZPDHXFCSA-N 400.435 1.499 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCc3c(sc(N)c3C#N)C2)=NO1 1456733944 LJLIORDTWRDIOT-JTQLQIEISA-N 405.480 1.756 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1456735648 OISURRUWWGYQBZ-LBPRGKRZSA-N 404.517 1.762 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(N3CCOCC3)CCSC2)c1 1464444352 RGGSFLAHEAIRCF-HXUWFJFHSA-N 422.572 1.421 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)C(=O)OCC 1471117929 HVVQWTAXYHXZBH-CQSZACIVSA-N 400.884 1.627 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2cncc(C#N)c2)C1=O 1471971038 WZFGSRVHGFERBJ-MRXNPFEDSA-N 401.467 1.333 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(CN2CCNC2=O)CC1 1473837065 IVWXOWFXJPXHMB-UHFFFAOYSA-N 407.478 1.420 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1473890196 ZWQZFIRTVIRNAK-DOTOQJQBSA-N 415.437 1.616 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)C[C@@H]3COc4ccccc4O3)CC2)c1 1474811770 ANHOJEPPZUGBKX-INIZCTEOSA-N 400.460 1.245 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1S(=O)(=O)c1ccc(Br)c(C#N)c1 1475618861 ATUWACOCXYWILT-VWYCJHECSA-N 400.298 1.949 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)c1 1492547719 HXWHPJBDTQMIIM-IBGZPJMESA-N 424.505 1.953 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1503260421 QMNCAPXSWSDHDN-YJBOKZPZSA-N 413.544 1.492 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1505045963 UANQXRQAKZRAEJ-IBGZPJMESA-N 424.505 1.681 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CC(F)(F)Br)CCO1 1505323611 HMMFFXXFVZIWES-LBPRGKRZSA-N 413.226 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1507538868 XOBZXTABSPMKER-INIZCTEOSA-N 412.519 1.575 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507613481 NWPUSVBPSDFFSC-HOTGVXAUSA-N 414.510 1.575 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)CN2CCCCC2)CC1 1507723744 SOGZHDBZPJSGRO-IBGZPJMESA-N 408.554 1.612 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(OC)ccc1OC 1507830268 YLKKKLXCYZBYNR-QGZVFWFLSA-N 415.494 1.821 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1507843735 SIKGEUHEQOXRBI-INIZCTEOSA-N 404.515 1.174 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)Cc1c(C)nn(C)c1C 1507848287 VYVXEEQLDIROLW-UHFFFAOYSA-N 415.542 1.980 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1507849206 UQYHROHHUCENPR-IRXDYDNUSA-N 407.515 1.297 30 10 HDEE C=CCN(CCOC)c1nnc(CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1508038384 IZKSUYUJQNTIPW-UHFFFAOYSA-N 412.538 1.828 30 10 HDEE C=CCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066243 LPQJXHDBGJWQSW-OAQYLSRUSA-N 403.527 1.955 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](COC)OC 1513697274 DWXMMWLIZNWELB-MSOLQXFVSA-N 415.494 1.810 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1514253800 FGGHLMKEPXOFRF-LJQANCHMSA-N 405.524 1.849 30 10 HDEE CCO[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1CNC(=O)CC#Cc1ccccc1 1515238645 LNHOXEXTDGIVJD-KWTHKWNPSA-N 422.525 1.831 30 10 HDEE CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1 1516850221 ITYSWURUDPUNAB-QGZVFWFLSA-N 418.523 1.577 30 10 HDEE COC[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518858142 UUMYSMUOOFMFCM-LZICOFPGSA-N 414.510 1.935 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCO[C@H]1C 1519166978 LUHDFYADLZYVJE-IFXJQAMLSA-N 420.901 1.900 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@H]32)c(C#N)cn1CCOC 1525335208 FFBLIAUIUKLTEI-XHSDSOJGSA-N 416.478 1.816 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1525739014 KXSXDKJZWDYDCK-KGLIPLIRSA-N 403.298 1.529 30 10 HDEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n(C)n1 1527273588 FEJVSRYOMLEVEO-LTGZKZEYSA-N 419.463 1.272 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1533501180 QIWUJIVYXYPQQW-OAHLLOKOSA-N 405.248 1.590 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1536668327 URDCZCKRHSNDSQ-HXUWFJFHSA-N 413.499 1.951 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1538963060 AFFLJARGHNASRN-MRXNPFEDSA-N 412.494 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@@H]1C(C)C 1538970214 AWHLNCYAURUKJT-MWDXBVQZSA-N 411.572 1.797 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC2(O)CC2)c1 1539040252 PAGMBGWQIDILLA-UHFFFAOYSA-N 404.474 1.865 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1539204758 DARSMEQVRAYWOO-MRXNPFEDSA-N 404.492 1.279 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1539315276 HOHNMYFGSHEROS-LJAQVGFWSA-N 413.503 1.380 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCOC34CCOCC4)C2=O)cc1 1539316256 DACMFTKMPXPWBQ-IAGOWNOFSA-N 412.446 1.218 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1539395817 JJHHROKLZJGERO-UHFFFAOYSA-N 405.524 1.378 30 10 HDEE C=CC[S@@](=O)(=NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)c1ccccc1 1539645334 HSNSKSUWBRKDLQ-NDEPHWFRSA-N 400.460 1.429 30 10 HDEE C=CC1(CC(=O)N2CCCN(S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1540704997 GSKZKGAOAREYHU-UHFFFAOYSA-N 401.529 1.294 30 10 HDEE Cc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1542491381 POUNOWAYVFGJAS-ZWKOTPCHSA-N 410.478 1.736 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1545123056 HASKVRHEIZIDFS-GUXCAODWSA-N 401.515 1.080 30 10 HDEE CCCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1547255890 CKAVNRPNFURGMA-RHSMWYFYSA-N 412.450 1.046 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 1557243601 VTORJMIWVXZSNM-LJQANCHMSA-N 404.474 1.240 30 10 HDEE C#CCN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]3CCCO3)C2)CC1 1557840681 PYQUSPAAGIGAMF-QRVBRYPASA-N 405.539 1.959 30 10 HDEE Cn1c(=O)[nH]c(Nc2ccc(CN3CCN(c4ccccn4)CC3)cc2)c(C#N)c1=O 1559079051 HIPWXKRKELWXMW-UHFFFAOYSA-N 417.473 1.406 30 10 HDEE C[C@@]1(C#N)CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1560182775 PTVIXYRMNLNYPL-KSFYIVLOSA-N 411.506 1.971 30 10 HDEE COc1cc(OC)c(CNC(=O)CN2CCc3c(sc(N)c3C#N)C2)c(OC)c1 1560200568 BTQZTYNFSIXELR-UHFFFAOYSA-N 416.503 1.902 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC#CCO)c1 1565249928 QKAIUFDIVROOJH-SFHVURJKSA-N 403.479 1.994 30 10 HDEE C=CCOc1cccc(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c1 1583275478 YLSIXSBWCSZNTP-UHFFFAOYSA-N 424.500 1.572 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(CNC(C)=O)cc2)s1 1584229440 IINRFOBYUKZGHK-UHFFFAOYSA-N 421.544 1.707 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1585217903 FMHCIHCMCQGXQO-FUHWJXTLSA-N 407.426 1.517 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1587300087 HPOSFCYAECTRDH-AWEZNQCLSA-N 421.247 1.836 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1587979555 SQECBARZTGPFTA-ZWKOTPCHSA-N 409.490 1.823 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1588064647 MLXZZESEKRVMSQ-KRWDZBQOSA-N 406.552 1.817 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC[C@H]2C)CC1 1588733072 LWJAZDKZCSPWSZ-MSOLQXFVSA-N 423.521 1.353 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=C)Br)CC1 1588752881 XFOGVORUORJUHE-SFHVURJKSA-N 424.343 1.594 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC3CCOCC3)C2)c1 1593680755 AZFURJWLMZYKRD-SFHVURJKSA-N 407.536 1.524 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1595205288 QHVQPFQECKWZLP-INIZCTEOSA-N 414.510 1.905 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](CC)C1 1595577074 IHLPBMZUPIGYEI-INIZCTEOSA-N 403.556 1.774 30 10 HDEE CN1CCn2nc(C(=O)Nc3sc4c(c3C#N)C(C)(C)CC4)cc2S1(=O)=O 1617226479 AYGNNPZUDWPNFM-UHFFFAOYSA-N 405.505 1.926 30 10 HDEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617487705 RBDOJVOIPFIJOY-YWZLYKJASA-N 415.519 1.223 30 10 HDEE CO[C@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(F)(F)F 1618957758 YPPZGCQDSVUZHZ-CQSZACIVSA-N 408.384 1.720 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H]1F 1620309274 XTDNSIHLUSULNA-PBHICJAKSA-N 421.498 1.958 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1623197253 GWYMDUGJYLRXRI-UHFFFAOYSA-N 418.461 1.096 30 10 HDEE CN(C)c1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ncc1Br 1624252635 HGZLLIFIGXEETJ-NXVVXOECSA-N 408.256 1.765 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)C2=O)cc1 1626695346 ULLZLTPGWPGJGV-XOWYPZSQSA-N 416.437 1.820 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3nc(C#N)cs3)CC2)c1 1626926555 YFCVRDBXPLDRSS-UHFFFAOYSA-N 419.532 1.091 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)n(C)c1 1628663034 WCTNCUFJVJQQHV-LJQANCHMSA-N 418.519 1.733 30 10 HDEE COC(=O)C1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1630746412 QWGLMVGKBGGHJO-RDYUPDBUSA-N 421.494 1.300 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635415307 BYCLLKXPBFTRFT-CQSZACIVSA-N 415.475 1.326 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c1 1635685165 GJFZYEMARULEDJ-HNNXBMFYSA-N 423.437 1.932 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1636289280 QIKRWDPRTVHVRS-IRXDYDNUSA-N 417.462 1.915 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)cc1B1OC(C)(C)C(C)(C)O1 1636855779 RMUCWRHNXGWALK-INIZCTEOSA-N 424.310 1.799 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCc2ccc(O)c(CO)c2)cc1 1637051986 ZLLLAVROXYNZPR-UHFFFAOYSA-N 402.472 1.934 30 10 HDEE C#CCN(C(=O)CCN1CCN(CC)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331367 UUWHMOXCBSKTPC-UHFFFAOYSA-N 406.571 1.875 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1638339789 BUBUNSABNPMLSF-HZPDHXFCSA-N 413.540 1.465 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c(I)cnn1C 1639961426 DCWLWKJIQHZDJY-ZDUSSCGKSA-N 410.215 1.702 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 1642352220 WKEAVJGWBXTSKO-HXUWFJFHSA-N 408.502 1.878 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 1643299126 CVTKJPIQZMSNGZ-BZUAXINKSA-N 408.499 1.470 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCOc2ccccc2I)C1 1643609342 KUNCFLHTHOUFAE-OAHLLOKOSA-N 400.216 1.937 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1645541233 FIHOAXKYCYGVDS-OAHLLOKOSA-N 423.535 1.845 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 1645674901 GZFLJGMFXGYHCE-UHFFFAOYSA-N 418.469 1.057 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1648500854 ULZWBZSPBCJTRE-MEDUHNTESA-N 401.460 1.810 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCC#C[C@H]2CCCCO2)nn1 1648586261 HLYNOCGZWRUGQF-MRXNPFEDSA-N 405.499 1.885 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N3CCN(CCC#N)CC3)CC2=O)cc1OC 1648962927 FFNDUOPLGVHVNQ-GOSISDBHSA-N 414.506 1.153 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1650977887 MMJBRXSEPOUCMU-RBUKOAKNSA-N 422.570 1.206 30 10 HDEE O=C(C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cnn(-c2ccccc2)c1 1651221080 NEPKBOXDOVOCRA-UHFFFAOYSA-N 418.409 1.959 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F 1651796520 SMRRHCDVMCTZDC-BJOOFOGMSA-N 403.435 1.813 30 10 HDEE CCOC(=O)C1=C(Cn2cnc(C#N)cc2=O)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1652918608 BWSQRNFAWKYFRB-QGZVFWFLSA-N 413.821 1.640 30 10 HDEE CC1(C)CN(C(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCO1 1654154794 HYRAWOASODKONW-UHFFFAOYSA-N 408.506 1.708 30 10 HDEE C#CCn1ccc(CN(CCOC)C[C@@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 1654342745 WUBDEBXBOWRPJP-HXUWFJFHSA-N 420.554 1.973 30 10 HDEE CC1(C)OC[C@@H]([C@@H]2CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CCO2)O1 1655518142 NOTREHAQRXGLIQ-ROUUACIJSA-N 411.462 1.535 30 10 HDEE CC(C)(CCS(=O)(=O)NC1CCN(c2ccccc2C#N)CC1)S(C)(=O)=O 1663464235 HYKPLVHUTZTVNY-UHFFFAOYSA-N 413.565 1.660 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1=O 1663628281 WANAXWMPDLKLIQ-CYBMUJFWSA-N 416.272 1.867 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1664345203 MHAMPSWILCEKEG-XHSDSOJGSA-N 414.549 1.016 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c1 1665248249 FGMDLUASLFYPNV-KRWDZBQOSA-N 408.520 1.857 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1670588469 MYWQPSHLGSUJQW-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE C=C(C)CN1CCC(NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 1678374181 OEVHYXDJXGWNJZ-UHFFFAOYSA-N 400.589 1.967 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 1682226123 CMPOGUXBNCXBGM-LFDJNIOPSA-N 410.474 1.546 30 10 HDEE O=C(COc1ccc(Cl)cc1Cl)N1CCN(C(=O)NCC#CCO)CC1 1684877822 UMYCXVHUIVWOLT-UHFFFAOYSA-N 400.262 1.222 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3ccccc3OCCN(C)C)CC2)C1 1685176876 FNGJHCNXTBUTOR-HXUWFJFHSA-N 413.566 1.556 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCCCCNC(=O)CC2)C1 1686056411 XCVFXFYKVQTRJO-HOTGVXAUSA-N 407.515 1.837 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1686623120 JGOGZVGFUKXKKH-DOXZYTNZSA-N 406.483 1.232 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 1687593213 LNFJLBCIXWQMIC-FUHWJXTLSA-N 408.340 1.997 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1689966654 YCFXOFQZFHZBTH-KRWDZBQOSA-N 416.503 1.343 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689988997 ADWXURFRNSZLDY-MSOLQXFVSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689994231 UMHPBYHHXKMFAT-ROUUACIJSA-N 415.519 1.070 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC 1690043819 OVOAVCHJWOXFOG-UHFFFAOYSA-N 404.474 1.691 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1690133697 QHFLTSXQVQKTFP-LJQANCHMSA-N 422.533 1.623 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690230936 WBFYRHCYVTUQMF-GJZGRUSLSA-N 417.311 1.887 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1690410199 CRMQIVZRSOUQTD-INIZCTEOSA-N 421.567 1.989 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@@H]1C 1690497393 OXOVPCAKUJYOEL-KKUMJFAQSA-N 417.601 1.811 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1690675223 SMKJYLQNCQSPIO-NRFANRHFSA-N 418.542 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690724270 LIBYPXUXVAQXJU-KURKYZTESA-N 424.567 1.778 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695871555 HGRXKFDDIOZJQH-QYZOEREBSA-N 417.558 1.274 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1 1705551096 GJZKWEBCBNXVJM-GOSISDBHSA-N 407.584 1.762 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705565048 RZCIGCKSMONJST-GOSISDBHSA-N 415.519 1.393 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2COCCO2)CC1 1705636818 ZCIKGGDCGKOVNQ-MRXNPFEDSA-N 402.886 1.164 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1705639412 NKYFTCGVMCKVLT-KRWDZBQOSA-N 409.494 1.076 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNS(=O)(=O)CC)CC1 1705761187 CZJWEFKZIGSZGJ-UHFFFAOYSA-N 419.511 1.021 30 10 HDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1706318387 WEYDJZWGMXSRKZ-UHFFFAOYSA-N 420.525 1.672 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CCO1 1711362806 GEJPGQSKYYNFRH-RDJZCZTQSA-N 412.519 1.521 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1722278447 MKIKCHBDQBQTQY-JYLXEMOASA-N 419.570 1.887 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCCS1(=O)=O 1722349487 OZNXVARQEUFQCI-INIZCTEOSA-N 416.503 1.753 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1722368298 PNGCNUBHNDPXJE-INIZCTEOSA-N 407.540 1.087 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1C[C@@H](C)O[C@H](C)C1 1722389628 KXBJHDXJOCTQGT-ZACQAIPSSA-N 421.567 1.555 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(C(=O)NC)c1 1722425744 KXWOGJDCVQRTJE-UHFFFAOYSA-N 418.501 1.758 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(OC)c1 1722647861 NNHFBWMVBNKAED-UHFFFAOYSA-N 412.494 1.461 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1728754397 HPPRPPFZWGKWRX-DHQBXBPASA-N 416.482 1.055 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1729713254 GKGITBPQGKGIIV-OAQYLSRUSA-N 412.494 1.870 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1729713715 SQOYNNTYVWHIHP-UHFFFAOYSA-N 410.478 1.648 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1730824480 KEEOAQLRRCINAU-ZBFHGGJFSA-N 404.515 1.657 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1730876675 PAOJFCQPJGIBOU-MCIONIFRSA-N 401.414 1.155 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1740572649 RLZIVLLIMAOAGJ-UHFFFAOYSA-N 406.490 1.915 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 1740595262 PXJXHQXMECFMJZ-UHFFFAOYSA-N 418.567 1.957 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1740624513 JKURTXOIINNEDD-ZWKOTPCHSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCNS(=O)(=O)CC 1740637905 DWPREZLUACEOPI-UHFFFAOYSA-N 400.508 1.051 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1740685502 NSYAOQNDYFPRNS-UXHICEINSA-N 419.570 1.615 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1740751471 KOQSWUGZAWFUMP-JJXSEGSLSA-N 413.544 1.095 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(CC)c1 1740801909 HHDPIWBESZNLCW-GFCCVEGCSA-N 401.924 1.494 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCNC(=O)[C@@H]1CC 1740954707 FFQYHBNSSNEFLE-KRWDZBQOSA-N 419.489 1.510 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740955284 OSRUCNLFLGPMOH-ZWKOTPCHSA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccs1 1740960083 KTDJGPIKGMVQOF-KGLIPLIRSA-N 423.564 1.741 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CC1 1746468134 IVLYSGYMIDYHOQ-MOPGFXCFSA-N 403.575 1.796 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1748045639 JIIVNBCLQYTOQS-ZWKOTPCHSA-N 403.849 1.914 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1748977355 GTUAUIQUDPCMHJ-QFIPXVFZSA-N 408.550 1.724 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(Cl)n1C 1749044740 UZHRQAMDGMPTRP-UHFFFAOYSA-N 421.958 1.790 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1ccnc1C 1749053261 FCMSEJPIDOGKBD-DNVCBOLYSA-N 419.555 1.476 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1749102157 JVOINXJCRKFJLS-CYBMUJFWSA-N 421.361 1.952 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749220944 UJAQOOMILODUMI-NVXWUHKLSA-N 401.467 1.293 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749312404 KGZFGWGAANSPGK-KRWDZBQOSA-N 404.540 1.731 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749677351 WUMPBSKIAHPHHM-HNNXBMFYSA-N 421.505 1.319 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCO[C@H]2C)C1 1749713952 BOPJUQICBMGLTB-JNAXZKDPSA-N 419.551 1.955 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCOCC2)CCOC1 1750062185 VFJWGERFAFBQSW-OXJNMPFZSA-N 407.515 1.456 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1760230052 PEGNIABDALDCIY-UHFFFAOYSA-N 419.507 1.067 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1760249681 QIIMKVNWVSRVHD-RBUKOAKNSA-N 403.527 1.517 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccn(CC)c2=O)CC1 1760255946 QRSRRNOLCBNOQD-UHFFFAOYSA-N 406.490 1.832 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC(C)CC2)CC1 1760262990 JSICOLMUXFKURR-UHFFFAOYSA-N 407.566 1.751 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760379078 HPYNPKNVHQUQIT-KRWDZBQOSA-N 421.977 1.369 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(C)c1 1760505014 IJPVZFSNXIBVTG-UHFFFAOYSA-N 406.494 1.937 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)C1 1760533874 OHLMVXARDZJKLT-KKSFZXQISA-N 416.526 1.209 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760555113 XEJXMHDTPYHJCJ-HNNXBMFYSA-N 418.585 1.091 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1761366466 AZRYILUFLNTAFL-CQSZACIVSA-N 411.510 1.679 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1763201149 HJAJDXSOBFXRLH-GOSISDBHSA-N 404.478 1.737 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765182291 VZGGUAQONQDGOZ-STGLLQLASA-N 408.466 1.498 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1765494699 DYZUTMONMLUFKV-LJQANCHMSA-N 422.581 1.811 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1767766826 VCIBMJGHAAGXEN-IKGGRYGDSA-N 424.571 1.615 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767885149 LQJROINVWJPAFX-AMGRQBIBSA-N 402.499 1.967 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)cc1 1771534114 NNBYDXZKTOXUCX-LJQANCHMSA-N 406.446 1.804 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCCCCC2)CCO1 1771537110 IBJJQPHMZRHJJZ-GOSISDBHSA-N 409.494 1.862 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2)C1 1772566436 GBSRTXXZOGTXMU-DLBZAZTESA-N 410.478 1.109 30 10 HDEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)CC1 1849658743 WUFPVFIJCZYPGN-QGZVFWFLSA-N 408.568 1.417 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCCN1CCC(C#N)CC1 1849996919 DRNJWGIPDRPFCC-SFHVURJKSA-N 421.567 1.144 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCC(n2ccc(=O)n(C)c2=O)CC1 1851273431 KQZGXSMMSUXTLR-UHFFFAOYSA-N 417.897 1.899 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)n1 1851297251 WSRCOTNLORMBAB-CYBMUJFWSA-N 412.400 1.328 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1 1851875745 IAVOLFXYNNTQML-UHFFFAOYSA-N 407.426 1.386 30 10 HDEE C=CCN(C(=O)Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)[C@H]1CCN(C)C1=O 1852008726 JUZNPQKJXNUUBK-SFHVURJKSA-N 423.448 1.547 30 10 HDEE CCS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1CCC3(CC1)C[C@@H]3C#N)CCO2 1852240720 RPYQVOZAPBVOLN-OAHLLOKOSA-N 403.504 1.831 30 10 HDEE CC1(C)[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC[C@@]1(C)C(N)=O 1852748550 GGXFDFWRDSHKCZ-JTSKRJEESA-N 413.522 1.546 30 10 HDEE N#CCC(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1852782657 MGUUXYFPVJMVBN-UHFFFAOYSA-N 409.425 1.079 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4ccsc4)C3=O)CC2)CC1 1853675300 BLHHTUICEKCGJZ-GOSISDBHSA-N 414.531 1.963 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CSc2ccncc2)C1=O 1854131805 SAUWVBNNTWKUAG-QZTJIDSGSA-N 416.547 1.800 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@H](F)CC2CCC2)C1=O 1854283613 JVGDDIBIGTXPMB-AEFFLSMTSA-N 414.485 1.515 30 10 HDEE Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1F 1854410411 NTXQPYIWAVGWMY-UHFFFAOYSA-N 421.494 1.904 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)c2cnc3sc(C)nn3c2=O)C1=O 1856012316 WFZPZUMLWXANIJ-OAHLLOKOSA-N 401.492 1.655 30 10 HDEE N#Cc1cc(C(=O)N2CCN(C3C(=O)CCCC3=O)C3(CCCCC3)C2=O)ccn1 1856874905 OXTDFCQZKWDPRS-UHFFFAOYSA-N 408.458 1.631 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CSc2ccncc2)C1)[C@H]1CCN(C)C1=O 1857055416 DZPJFYSCGNCUNK-AEFFLSMTSA-N 416.547 1.658 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)COc3ccccc3)C2=O)CC1 1857066697 QVAMPSQILZPSET-LJQANCHMSA-N 405.458 1.282 30 10 HDEE Cc1ccc(C)c(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857143552 IHDRYFPROLIENJ-LJQANCHMSA-N 404.474 1.527 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1857238614 FTRQKZKZRJVIAT-KRWDZBQOSA-N 414.506 1.718 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(C)c(C)c2)C1)[C@H]1CCN(C)C1=O 1857317234 WSCPNJYEYUEBBK-QUCCMNQESA-N 413.518 1.776 30 10 HDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2C[C@@H](C)O)c(C#N)c(C)c1C 1870185609 YUCWWMCVLUHRDT-LLVKDONJSA-N 416.503 1.577 30 10 HDEE COc1cc2c(/C=N/n3c(S)nnc(C)c3=O)c(C(=O)O)n(C)c2cc1OC 1873498178 UEEQOSJBOHVAQC-CNHKJKLMSA-N 403.420 1.325 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 1873528692 FHNVZCWJDNVLQF-KMDAILJESA-N 424.866 1.489 30 10 HDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873594779 BKMXTPLHOHIBJB-UHFFFAOYSA-N 413.526 1.014 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccncc2)CC1=O 1874274103 OYNZXCUUJOLJMC-UWPAOYMWSA-N 401.496 1.247 30 10 HDEE NC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(O)cc1O 1874370769 PZJOFANMVQQQDY-DJKKODMXSA-N 403.489 1.996 30 10 HDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1880980490 SKIUIRWLTDEPOQ-ZDUSSCGKSA-N 401.379 1.135 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@@H]2CC(=O)N(C)C2)[C@@H]1c1ccc(C#N)cc1 1889218408 BZHXMESZCAPBHE-MNEFBYGVSA-N 400.504 1.299 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn(C(F)F)c3)CC2)CC1 1889281528 LSGGAMGIUUPSKD-UHFFFAOYSA-N 409.481 1.540 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@@H](CO)[C@H](NC(=O)OC(C)(C)C)C1 1895719765 DHJYTTXFESUATG-NWDGAFQWSA-N 413.334 1.432 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985096781 WPKFATSGCIPCHU-KYEXWDHISA-N 410.320 1.811 30 10 HDEE Cn1ncc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 2074368310 RCLBLXGIFGVHAJ-WCQYABFASA-N 413.320 1.627 30 10 HDEE C=C(CNS(=O)(=O)c1nc(C)n(C)c1Br)B1OC(C)(C)C(C)(C)O1 2077056507 UYFMZHABKXRZOT-UHFFFAOYSA-N 420.138 1.957 30 10 HDEE COC1CN(S(=O)(=O)NCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C)C1 2161947001 IQZVBYDWYPNSTE-UHFFFAOYSA-N 402.347 1.021 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1CC(C(=O)O)C1 2162682643 LQLKXJSRBNONRI-UHFFFAOYSA-N 400.497 1.514 30 10 HDEE C#CCN(C(=O)C[C@@]1(NC(=O)OC(C)(C)C)CCSC1)[C@@H]1CCS(=O)(=O)C1 2180138320 WDQBFIINRBNPGM-KDOFPFPSSA-N 416.565 1.426 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180138858 BMVNINHMAGUXPH-STQMWFEESA-N 408.467 1.574 30 10 HDEE C=C(I)COc1cc([N+](=O)[O-])cc(S(N)(=O)=O)c1OC 2198129552 ZGOYNRRFAVWQIL-UHFFFAOYSA-N 414.177 1.578 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387595 XBBGGBVCDAKWOX-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)nn1 2248404953 QFLYYORKVUVEKO-AWEZNQCLSA-N 421.307 1.685 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2255702043 AEQVUWFEYJSZMX-IBGZPJMESA-N 424.354 1.518 30 10 HDEE C=C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258171638 WBGRKLGHFQLZTP-DLBZAZTESA-N 410.492 1.729 30 10 HDEE CCC1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2267422809 DLUFBXUDNLHNOX-UHFFFAOYSA-N 406.766 1.731 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282202317 BFIBMZUXAVYMCH-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE COCCN(CCF)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282307264 ZJLLMZCYJALCGW-UHFFFAOYSA-N 407.338 1.962 30 10 HDEE Cc1ccc(S(=O)(=O)N=[S@@](C)(=O)N(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282312538 XSSHSOCJWPVMAN-RUZDIDTESA-N 402.347 1.557 30 10 HDEE COCC1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)COC1 2282314007 SRPWQAFFUIMYOR-UHFFFAOYSA-N 423.749 1.394 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282319853 ABGAKXLIGMXTOG-QWHCGFSZSA-N 400.375 1.904 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@]2(O)CCSC2)sc1B1OC(C)(C)C(C)(C)O1 2282320363 HILOLTBULIFJOA-MRXNPFEDSA-N 419.399 1.502 30 10 HDEE C[C@H]1CC[C@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332914 IDGDPNODHZMXEL-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489017 BRQQYUYVUCKSHU-LLVKDONJSA-N 414.280 1.557 30 10 HDEE COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498126 ZFMBBKSACAGAOA-NSHDSACASA-N 403.331 1.477 30 10 HDEE CSC[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282835896 BWOQFTCWXCMAIF-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@](C)(O)C2)OC1(C)C 2282838407 ODVWTPLSEXULOH-DYVFJYSZSA-N 401.359 1.770 30 10 HDEE C[C@@H]1CNC[C@@H]1CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882200 IGHVNNFGZKCDHV-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@]1(O)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2285904999 XFULZJWYXKYURV-LAIHZFQQSA-N 400.456 1.839 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2300217137 LUWJUFBTIAAWFH-STQMWFEESA-N 420.319 1.362 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccn1C 2331273486 JWMUWILILSQZMZ-UHFFFAOYSA-N 405.509 1.875 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372242 PCJLLHVPHHMWAK-KGLIPLIRSA-N 401.554 1.719 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2342067796 XYJNYSFQYYVMTG-SFHVURJKSA-N 420.531 1.319 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSCCO 2360783709 YPJYOJKIFHTGNY-UHFFFAOYSA-N 401.359 1.298 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173516 UWVWJUWAIJRLEK-AUUYWEPGSA-N 401.525 1.923 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1 2365207499 OUASVQUOSJGAIL-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2365211009 KGRNTHTWOIOGMV-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C1CC1 2365213937 XCXMCYDWIFHECJ-VCBZYWHSSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812927 YISCJXBTXAMBHM-PMPSAXMXSA-N 400.541 1.435 30 10 HDEE CCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1C 5427128 BTHDRAAGIWTRNA-UHFFFAOYSA-N 403.460 1.701 30 10 HDEE C=CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCO3 13792053 LHNVUKMETPQEQE-OUIWWDRTSA-N 423.516 1.716 30 10 HDEE C=CCSc1nnc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1 16008331 DEOLPPPARWKIAF-UHFFFAOYSA-N 405.417 1.959 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NC3CCCC3)n2N)cc1 20913502 LDRANPWJFXHFOC-KEBDBYFISA-N 417.495 1.375 30 10 HDEE C=CCn1c(C)c(CCC(=O)N2CCOCC2)c(=O)n2nc(-c3ccccc3)nc12 21807183 CKQWQIDTNPFBMU-UHFFFAOYSA-N 407.474 1.844 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC#Cc2ccccc2)C1 25148866 OYWNGJKHHJTOIM-GOSISDBHSA-N 401.488 1.860 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 27221812 GMNWKAPNIOWOAR-SFHVURJKSA-N 418.519 1.038 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OCC)CC1 27559075 XBBDRKOIFTWNEI-UHFFFAOYSA-N 422.551 1.400 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cn2nccc2-c2ccncc2)CC1 111202217 QWNOQIYXBUQLHA-UHFFFAOYSA-N 408.487 1.781 30 10 HDEE N#Cc1cc(I)c(OCC2(O)CCNCC2)c([N+](=O)[O-])c1 133817792 XTJSSLZSSIKHOG-UHFFFAOYSA-N 403.176 1.564 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCn2cc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 205659692 LMFKZRHOAVHOCC-UHFFFAOYSA-N 406.336 1.735 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1CO 257511201 PFPNLISKAPWUFU-MCRDERIDSA-N 406.475 1.402 30 10 HDEE biogenic CC(C)(C)OC(=O)N1CCN(Cc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 309951932 ODERXUUWFCQLBL-UHFFFAOYSA-N 404.320 1.829 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1=O 429469986 LXNFOFUQFBYDMK-SYNHAJSKSA-N 418.501 1.947 30 10 HDEE C[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1(=O)=O 429619804 IEACQFJXMMBKQD-GFCCVEGCSA-N 407.883 2.438 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 434058569 UUGTYRDCVGMRED-WHOFXGATSA-N 419.425 1.387 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)F)c(F)c2)CC1 447820081 DFAZQWHKOFUJKR-UHFFFAOYSA-N 407.414 1.036 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1cc(OC)ccc1OC 460386752 NFZWGBROUOXNOF-IBGZPJMESA-N 418.494 1.958 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cn1 461312685 UAYNQNJTAZEVOP-UHFFFAOYSA-N 408.443 1.832 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cc(C2CC2)nc2c1c(O)nn2C 461749100 MEVPHKAAUMJSOO-UHFFFAOYSA-N 414.429 2.564 30 10 HDEE CCN(C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)S(C)(=O)=O 462087273 XKTKXPZAAMYSGC-UHFFFAOYSA-N 417.495 1.417 30 10 HDEE N#Cc1c(NC(=O)CCN2CCn3c(CO)nnc3C2)sc2c1CCCCC2 471047709 OXACALJUHBWXMZ-UHFFFAOYSA-N 400.508 1.817 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 475781295 MVDGZWBWNFVXJZ-QGZVFWFLSA-N 418.457 1.513 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)cc1 476218274 MXIUAQFSHKHAKD-HXUWFJFHSA-N 411.506 1.165 30 10 HDEE CSc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1C 477865950 KAFAXCUMGKFEJD-UHFFFAOYSA-N 405.505 1.160 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1)C(C)C 480542527 PJXJWTSLFVUMRJ-QZTJIDSGSA-N 400.589 1.750 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C2 483463712 ZETSBHFTLROSNR-CKFHNAJUSA-N 421.475 1.416 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1 483576888 RQESHNFHJDIJPS-HNNXBMFYSA-N 421.523 1.000 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CC(N)=O)Cc3ccccc3)C2=O)cc1 505513705 GPQCXZRJZOMHNM-GOSISDBHSA-N 419.441 1.277 30 10 HDEE CCN(CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(C)(=O)=O 507339318 IPJGJQLTHWJIAO-UHFFFAOYSA-N 408.524 1.783 30 10 HDEE C=CCn1c(COc2ccc(Br)cc2)nnc1N(C)Cc1nnnn1C 508929627 BBONVQDELCULJP-UHFFFAOYSA-N 419.287 1.966 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1C[C@@H]1CCCO1 535137546 OBZQFKBJWMZLIP-LBPRGKRZSA-N 421.881 1.130 30 10 HDEE Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1S(C)(=O)=O 536269510 RRUFSXIZYBCETJ-CYBMUJFWSA-N 421.500 1.576 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 542804134 PWKUKQQAJYROQL-UHFFFAOYSA-N 404.492 1.562 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 549690008 GPMSLNFGELHJFC-FQEVSTJZSA-N 408.466 1.493 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CCC(=O)N(C)C)CC1 558981023 RQNFRNQGAXGBOI-UHFFFAOYSA-N 400.527 1.833 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@@H]2C1 558999498 YMPUTICWKCHQNU-HNNXBMFYSA-N 402.524 1.367 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 559004259 ULHHPNZUMRUBGU-MSOLQXFVSA-N 421.542 1.653 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1C[C@H]3COC[C@@H](C1)O3)CCCC2 562750101 UTTVPGZPDDBZLY-ZACQAIPSSA-N 414.506 1.456 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 584071092 OPSQCZMDJXXBEJ-QZTJIDSGSA-N 411.483 1.897 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)C1 609161659 WJEJZFUUHUXLDF-RDJZCZTQSA-N 419.482 1.947 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSCC(=O)Nc2ccc(C)cc2)CC1 612644479 ILJZGQGSVYNXPS-UHFFFAOYSA-N 404.536 1.113 30 10 HDEE C=C(C)Cn1c(COC)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 619834637 HXDCABUPKMCIHU-UHFFFAOYSA-N 406.512 1.960 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCOc3ccc(Br)cc32)C1=O 623227772 QGAGGJICUYMWFO-LBPRGKRZSA-N 422.235 1.366 30 10 HDEE CC1(C)OB(c2cc(I)cc(S(N)(=O)=O)c2)OC1(C)C 694940687 AZNYUVIZFFEKGI-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE C#CCN(C(=O)CCc1nc(O)c2c(C)c(C)sc2n1)[C@H]1CCS(=O)(=O)C1 729335842 VNLZBBHACGNXBR-ZDUSSCGKSA-N 407.517 1.595 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)c1 732974733 DCNXHRYRXCLUID-UHFFFAOYSA-N 407.492 1.337 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 735851641 BTKCGQSNJFMKMC-DNZUHHBVSA-N 406.483 1.666 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc12 742073559 AULPTAUOGGFISU-TZMCWYRMSA-N 400.508 1.260 30 10 HDEE CCOC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)nc1 742176835 RYSNTATWGMERAR-UHFFFAOYSA-N 415.475 1.104 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 744940386 DGFAIGZIFMTMBT-QAPCUYQASA-N 415.490 1.930 30 10 HDEE Cn1ccnc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC2)c1=O 745991185 NQDQBIGIIKRRLS-AWEZNQCLSA-N 408.487 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 749024462 ZHXWBRCQGBIURN-GOSISDBHSA-N 411.455 1.853 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614338 LAJXZOUKJCQNMP-LIRRHRJNSA-N 409.508 1.638 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 762523414 XKTCXLBTNKBHQG-QGZVFWFLSA-N 416.503 1.438 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ncc(-c3ccccc3)cn2)c1 763790654 MGRWIZMGOFPCKB-UHFFFAOYSA-N 406.467 1.985 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](C)[S@@](C)=O 766734199 DXJWTYWCPPCQFT-FZUWOLFOSA-N 413.565 1.413 30 10 HDEE CC(=NN[C@@H]1CCS(=O)(=O)C1)c1cc2c(cc1Br)NC(=O)CO2 767352309 QWTCMUNDGKYJJG-SECBINFHSA-N 402.270 1.281 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 772920392 YSAZPJXDGYXLRV-LZWOXQAQSA-N 422.507 1.208 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)[C@@H]1CCS(=O)(=O)C1 774216873 KIKTZAPWHPRMNB-IAGOWNOFSA-N 419.503 1.708 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 774228054 LNPAJYJYMDEMLB-HOCLYGCPSA-N 423.922 1.667 30 10 HDEE CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 777305707 RKSFQPXUTQJYSZ-UHFFFAOYSA-N 404.469 1.764 30 10 HDEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 782849438 QGHPCVJGJSMDSH-UHFFFAOYSA-N 417.487 1.824 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 785299045 JELDQBOXXBLXLU-YQVWRLOYSA-N 423.462 1.994 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cccnc2C(N)=O)nc1C 787343036 XHPKSTUTYVJMAC-UHFFFAOYSA-N 401.477 1.931 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)n1 788331958 OXZODQMKDVHQOH-SFHVURJKSA-N 400.866 1.950 30 10 HDEE COC(=O)c1ccc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 793399590 POTPDXXRYZJWML-GFCCVEGCSA-N 417.443 1.429 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H]2CCCO2)CC1 802681474 CXPIXAMIHOBYJJ-XLIONFOSSA-N 409.490 1.725 30 10 HDEE COCCOc1cccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)c1 802896486 SKLUVZDKOHBLFE-AWEZNQCLSA-N 404.444 1.856 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)cc1C#N 806705564 ZNXKIYCQMDJFQY-CXJKMVGQSA-N 401.463 1.621 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nncn3CC2)cc1 1125137233 QKBPEJSMLNMVNL-ZYNBKEAPSA-N 416.507 1.682 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1126160160 OHBJEMZDDHADCC-INIZCTEOSA-N 403.479 1.945 30 10 HDEE C#CCC1(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCCCC1 1134293284 KMTKETLMWWWFKL-UHFFFAOYSA-N 406.284 1.735 30 10 HDEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1137215118 NBCWJKNKWNBADO-SIRPWMCASA-N 403.479 1.959 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1140627276 RHNGOIHQLYHMSR-HUUCEWRRSA-N 416.927 1.854 30 10 HDEE Cc1ccc(C(=O)N2CCN(C)CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1178974357 KUEASSOHDHBVMW-UHFFFAOYSA-N 401.360 1.614 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)ccc2scnc12 1208449665 UNNXOUJLFBKQHB-JTQLQIEISA-N 404.922 1.761 30 10 HDEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCN(C)CC2)C1 1214199642 QATGQCDMFOWZEX-UHFFFAOYSA-N 421.567 1.873 30 10 HDEE C#C[C@@H](NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)[C@H]1CCCO1 1226734756 MYYNDLWCPDKOFA-ZIAGYGMSSA-N 405.455 1.187 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1235106686 NRJXFYKCTLGNJA-ZVDOUQERSA-N 416.547 1.621 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1286274251 NCLWDXSPBQYPEG-HNNXBMFYSA-N 419.493 1.750 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286297148 UXQROJDPUHQRMJ-ZQIUZPCESA-N 424.461 1.237 30 10 HDEE C#CCN(c1nnc(COCC)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1286397587 SYMCLPSJVSWNNZ-AWEZNQCLSA-N 400.570 1.583 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1286451799 BKBXQVZSGMOWEY-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1286452244 LVVLXFOZSAFSIG-UHFFFAOYSA-N 412.469 1.381 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCN(C)CCOC)CC1 1286490015 FYDAGRNCNUIFQU-UHFFFAOYSA-N 416.570 1.480 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(=O)NCC(F)(F)F 1286514306 DDDNRQCOPCHCFY-MRXNPFEDSA-N 400.405 1.087 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1286667015 GMMVBHKNOGFKGX-KGLIPLIRSA-N 412.560 1.192 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCSC(CC)(CC)C1 1286786213 OHMFDGFEOYAZGO-CQSZACIVSA-N 406.556 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C)[C@H]1C 1286822272 CDKPZTZUIQVXLT-RHSMWYFYSA-N 406.556 1.975 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1)N(C)C 1288607860 TUIBRNDFPRQMMA-QGZVFWFLSA-N 417.521 1.883 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1288976818 FQHXOZOPOKZNKQ-CXAGYDPISA-N 414.432 1.981 30 10 HDEE C[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)COCCO1 1289050492 BPIAVVWUIDZMQO-FQEVSTJZSA-N 411.466 1.471 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1298191229 FBHIESCTHGWVEL-FUHWJXTLSA-N 410.495 1.905 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1299184791 JYNFXFKPIXRIQR-KRWDZBQOSA-N 423.521 1.694 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)C(C)(C)C 1300445975 BGPSNCKWWAXRRC-LJAQVGFWSA-N 412.523 1.537 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1300454978 CWNVMXDXEQOJDD-PMERELPUSA-N 424.530 1.655 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300486807 BJKNFZPNOFKQKP-MRXNPFEDSA-N 404.540 1.240 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1300488787 GTABIKHJFAVYNI-KRWDZBQOSA-N 414.531 1.795 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1300569429 KOZXBDLHFGOMJK-RBUKOAKNSA-N 424.501 1.965 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1300671072 BGQWYGPWTZZPED-CVEARBPZSA-N 410.540 1.081 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300742708 SHOLVLZWCJFUPH-QGZVFWFLSA-N 408.487 1.824 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCn2cc(C)nc21 1301422318 GYROINXYZNPPIJ-DLBZAZTESA-N 413.526 1.951 30 10 HDEE COCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1301628213 PMQGVXXILYOAGQ-CYBMUJFWSA-N 409.288 1.811 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1302269862 UCHIXHOAXCEVRS-GLJUWKHASA-N 414.466 1.182 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCC(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 1307958455 URJIRTMONRBISH-APWZRJJASA-N 418.563 1.947 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc3oc(=O)n(C)c3cc2F)n1 1310857884 DZPHRJXNNGDAEP-UHFFFAOYSA-N 401.398 1.781 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2nc(C(F)(F)F)no2)C1 1312468433 GCHRDPNWYZXEFM-DTWKUNHWSA-N 404.349 1.647 30 10 HDEE COc1cccc2c1OCCC[C@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1313233081 YEDAKRXGYPRGOB-ZBQZNYHESA-N 405.476 1.489 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1315047873 JQEHJICKGYNPEH-GOSISDBHSA-N 423.521 1.694 30 10 HDEE COCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316268388 XEZWLVFQNMIRPP-QYZOEREBSA-N 424.505 1.636 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 1318847719 BUDYRAVUVHFGEK-CZIZESTLSA-N 422.445 1.754 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1319318541 OXZOKDHLFPKTPI-INIZCTEOSA-N 404.536 1.506 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1C#N 1321209757 QGQWXBOLIYGZOU-UHFFFAOYSA-N 410.521 1.411 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2)C[C@@H](C)O1 1349632153 UFBMDYVMIPLXJU-KHYOSLBOSA-N 407.492 1.743 30 10 HDEE C#CCN(c1nnc(C)n1CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358956508 GUZQHEYZFPIYMO-HNNXBMFYSA-N 411.528 1.128 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cnn(C)c2C)CC1 1359043560 YXHJXHVYQACCME-UHFFFAOYSA-N 420.521 1.340 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCC=CO2)CC1 1359046542 WAOCVICYKSNEMD-HXUWFJFHSA-N 420.517 1.922 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ccnn2C)CC1 1359048641 XKGIRGYBEKBNJZ-UHFFFAOYSA-N 415.567 1.900 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359203025 GWATYWPHJFVGEN-IKGGRYGDSA-N 421.567 1.499 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1359224880 FZSSJTLGCUSYJA-SFHVURJKSA-N 411.510 1.978 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nnc(C)s2)C1 1359320401 QAVDDRIJPSXOGY-KGLIPLIRSA-N 403.512 1.413 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1359587689 ZAWLBSUMRQDOPM-OAHLLOKOSA-N 423.564 1.872 30 10 HDEE COC(=O)[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccnn1C 1437068192 PRWVAEKSTZTEBX-SJCJKPOMSA-N 415.837 1.329 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1453966772 VHVRTWBIXSYVOC-FUHWJXTLSA-N 404.511 1.999 30 10 HDEE COc1ccc(C(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)NC(C)(C)C 1456017212 DPFAKZANQJQQTA-UHFFFAOYSA-N 402.476 1.969 30 10 HDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1456512970 QZMUYTDQCBLJHK-QGZVFWFLSA-N 414.380 1.482 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(N4CC[C@H](O)C4)CC3)ccc2c1=O 1457938611 QDRJLUJKROIQIS-INIZCTEOSA-N 414.531 1.542 30 10 HDEE CC(C)CN(C(=O)CN1CCC[C@@H](CC#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 1460412769 BKWMMNXKVPBGAT-INIZCTEOSA-N 418.542 1.802 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1I 1461386169 LBFQBLWNMHAYBL-UHFFFAOYSA-N 403.220 1.442 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)c(=O)nc1O 1463840358 IFFFPNBJGAMOHD-HNNXBMFYSA-N 402.838 1.934 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCNc2ncccc2C#N)CCS(=O)(=O)CC1 1464506970 LPIANLFBFPRBJL-UHFFFAOYSA-N 422.507 1.018 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1465060055 PPJNFRMMRXFMHP-UXLLHSPISA-N 409.508 1.380 30 10 HDEE C#CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1465190086 JGNQYCLMFVGSMA-HNNXBMFYSA-N 402.472 1.288 30 10 HDEE Cc1ccc(C#N)cc1C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1465504881 AUCQWYZUHZTUAA-UHFFFAOYSA-N 405.414 1.612 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1466404562 HLYJDQHIMVAIAD-YZVOILCLSA-N 414.524 1.146 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)nn2)C1 1466737709 MXCJBWJXJRDTKF-UHFFFAOYSA-N 424.461 1.845 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1469359577 AXIPYJNZZBLWDN-MRXNPFEDSA-N 415.494 1.136 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)O1 1469591186 RTRSYEJMMFYVCS-BBWFWOEESA-N 400.483 1.175 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1470074018 DWTYYNKDDLLWJY-QAPCUYQASA-N 407.536 1.918 30 10 HDEE CC(C)c1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccccc1 1472370349 FPRGIPWYMVKSRU-UHFFFAOYSA-N 404.430 1.827 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CC)CN3CCOCC3)ccc2c1=O 1472621783 FOWOXQRJHXGPOC-OAHLLOKOSA-N 402.520 1.712 30 10 HDEE N#Cc1c(N2CCn3ncc(I)c3C2)ccc([N+](=O)[O-])c1N 1472885011 URIOAAWXULFUSN-UHFFFAOYSA-N 410.175 1.870 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)Cn1cc(C#N)c(I)n1)C(=O)OC 1473050026 DXEGIOWAZWJDQO-GZMMTYOYSA-N 404.208 1.063 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2ccccc2Cl)c1=O 1473069065 CLUWWTODFNCBPL-UHFFFAOYSA-N 418.837 1.515 30 10 HDEE Cn1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(C2CCCC2)n1 1475345446 HLEVMAHBGZQUMV-UHFFFAOYSA-N 400.508 1.855 30 10 HDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 1478567003 CXTIPGKYFMYKLB-RBUKOAKNSA-N 419.485 1.735 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1479508139 DYPSJAXTKJRNEH-GJZGRUSLSA-N 410.434 1.634 30 10 HDEE COC[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504701438 XGKSYZBJOQIUCQ-LZICOFPGSA-N 414.510 1.935 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@@H]2CO)C1 1505314652 IAPBSSYFJZTTNY-UZLBHIALSA-N 401.490 1.952 30 10 HDEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507578783 AYWPWOXADQXDFE-RBUKOAKNSA-N 420.517 1.380 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1507654714 QKMBZZCKMKJRSB-UHFFFAOYSA-N 404.474 1.574 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1507667147 LLCWEDJOFHUQMH-INIZCTEOSA-N 401.536 1.604 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCC[C@H](O)C2)n1 1507717211 RFVLXKAUMCAKMW-HKUYNNGSSA-N 400.527 1.874 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1507726149 FXHMKBFOYAWIHF-NRFANRHFSA-N 420.517 1.909 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1507893039 BEEYJPACZODDEV-IBGZPJMESA-N 416.570 1.763 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCCOCC1 1508079595 ABLJTEKJRYBCHZ-UHFFFAOYSA-N 407.478 1.660 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(c2nccs2)CC1 1508093070 AFVPDUMYEPKCFZ-UHFFFAOYSA-N 401.540 1.706 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cccs1 1508094510 GUOYMCTXWGOPKI-UHFFFAOYSA-N 402.524 1.443 30 10 HDEE CN(C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1517011836 CLHDQXLKQDXSFH-LJQANCHMSA-N 423.521 1.239 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C)CC1 1519243729 IKOQCDIVZJNAGF-VQIMIIECSA-N 423.521 1.282 30 10 HDEE CO[C@@H]1COCC[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1527211325 KTHBDTOPLDMITD-JWXGAITFSA-N 409.508 1.880 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 1536972238 PHFLRUTXHBDDMB-SFHVURJKSA-N 413.474 1.920 30 10 HDEE Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 1537450757 CMLWXOCLARMKNW-UHFFFAOYSA-N 417.462 1.957 30 10 HDEE CN(C)c1nccc2c1N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCC2 1537916116 ACCMEQJMBLORIR-UHFFFAOYSA-N 413.503 1.933 30 10 HDEE COCCc1ccc(OCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1538761270 VQYKGLDKCLSYSX-FXAWDEMLSA-N 406.504 1.431 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCCN1CCOCC1 1538975850 FBPDRFODQKKJCP-WIYYLYMNSA-N 405.543 1.501 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1539079327 SALQMDGGVYNNKE-OAHLLOKOSA-N 414.535 1.788 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2ccnc2)c1 1539140617 AINYEIWMDSIRBI-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](NC(=O)OC(C)(C)C)C(C)C 1539175497 ZQGSWTLMQKIVHF-LSDHHAIUSA-N 404.515 1.848 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCCCC)[C@@H]1CCS(=O)(=O)C1 1539206439 PCJJMEOFBQUUFW-GOSISDBHSA-N 417.535 1.835 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1539278750 KQSUNSVHUDVIKC-INIZCTEOSA-N 414.510 1.511 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1539365935 SCNHXDWBQURGAJ-SFHVURJKSA-N 410.522 1.912 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1539446526 FITWDOWUJWXDKE-JXFKEZNVSA-N 401.536 1.506 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC(C)C)CC1 1540857197 FVEDDTVFZMVBFI-UHFFFAOYSA-N 402.499 1.739 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccnc2C)C1 1540881149 AAHXUPNKQKOZHR-KRWDZBQOSA-N 411.510 1.637 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)cc1 1544463456 XZUVFAFBJDHSHV-JIQGDJCJSA-N 406.508 1.159 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1545243066 FPXSNCFMESJNDV-WRFANHODSA-N 416.523 1.127 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1548318177 CVFONXDWIXIMHN-WMLDXEAASA-N 419.507 1.964 30 10 HDEE COc1cccc(Cl)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1555028186 AXTAQTPIPIBNDQ-WFASDCNBSA-N 416.869 1.668 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCCN2CCOCC2)CCO1 1555995882 VANJADFNSYOQCH-LJQANCHMSA-N 411.510 1.105 30 10 HDEE COc1ccnc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1F 1557537560 PDVBTVKRRCPUDY-LLVKDONJSA-N 406.439 1.363 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1c(C)cc(C)nc1OC)c1cc[nH]n1 1557660931 YNHBGLXAVRHEAS-UHFFFAOYSA-N 403.439 1.373 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1558035572 KDOCTYOVEFRCIG-QZTJIDSGSA-N 412.490 1.657 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(c2nc3ncccc3cc2C#N)CC1 1559184586 NFBJEXAZBIWIEP-UHFFFAOYSA-N 402.524 1.990 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4cc(C#N)ncn4)C3)[C@@H]2C1 1559264419 FLSIAPUVYOQHEQ-ZNMIVQPWSA-N 400.439 1.367 30 10 HDEE C=CCCCCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1559636475 LMEQIRLPCKPPKL-UHFFFAOYSA-N 408.568 1.971 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]([C@H]3CCOC3)C(F)(F)F)CC2)o1 1560199461 ULAJRNSZGCPUPS-WFASDCNBSA-N 401.389 1.060 30 10 HDEE N#CC1(C[C@H](O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CCOCC1 1560230142 OTYDJVGXTNHJRT-IJEWVQPXSA-N 410.458 1.499 30 10 HDEE COC(=O)[C@H](CC1CC1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1570411731 IODWXAYXIYYMGN-INIZCTEOSA-N 421.519 1.743 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1586185252 VBCNMEHLAYQXAF-SOUVJXGZSA-N 400.504 1.832 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1587852145 RBORRRNIXJPCCR-HZPDHXFCSA-N 413.551 1.982 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588054324 NKRZEOUDPJLJIO-QZTJIDSGSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(C)c1 1588075002 VKYXONWWFJOUNR-UHFFFAOYSA-N 406.490 1.228 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccco2)N(C)C)CC1 1588732474 BFCFTBOEDYHCLY-QGZVFWFLSA-N 413.526 1.067 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[C@H]2COCCO2)CC1 1588930424 VSPUUDCQOKMLFU-SFHVURJKSA-N 401.511 1.317 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1593729584 MESMLXYCYBGYAY-UHFFFAOYSA-N 422.555 1.675 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1593763338 HHGDZAAFJPSFOV-MOPGFXCFSA-N 418.542 1.973 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1594225772 DISYJZPSRJUVOX-UHFFFAOYSA-N 402.524 1.778 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1594753808 GCDQJEYODRVUOO-UWJYYQICSA-N 415.494 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1C1CCC1 1595824175 XWORKCCCSXRPNJ-QGZVFWFLSA-N 421.567 1.770 30 10 HDEE CN(C)CCOc1ccccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1597819145 FKMXNCSTNYBFBK-UHFFFAOYSA-N 419.478 1.993 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1Br 1603044288 AODQDUSXSCDIJQ-CYBMUJFWSA-N 407.268 1.716 30 10 HDEE COc1ccc(SC)c(OC)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607497801 MQINISYIYPOCPL-UHFFFAOYSA-N 402.432 1.257 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1611767517 OKOUHHQDGSKGJY-YJBOKZPZSA-N 410.544 1.589 30 10 HDEE CC[C@H](C)c1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1613173464 UUSHJTIHOFGESK-HMWBCQRISA-N 410.482 1.744 30 10 HDEE CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@@]32C)[C@@H]1C 1615813547 URGUBECARCAPRI-IDBBGKDZSA-N 417.458 1.513 30 10 HDEE biogenic CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1617969019 AIGVAPJQKGHYKK-RBUKOAKNSA-N 407.478 1.727 30 10 HDEE N#Cc1cc(F)c(OC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c(Br)c1 1618686681 YDTCSLATIJITBH-HBJVGIJOSA-N 423.194 1.528 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1620604984 WVLAWCJXJCWLGP-CQSZACIVSA-N 424.498 1.361 30 10 HDEE COC(=O)NC1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 1622399027 GQVHFFARJHJPSO-UHFFFAOYSA-N 402.270 1.830 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)CC1 1625580361 DJBGCFHBNNYEOP-GPQLOAJWSA-N 408.462 1.189 30 10 HDEE CN1CCC[C@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1626004600 TUHIXBXLOSSNKT-AJNNJPABSA-N 408.524 1.285 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)n2C)cc1 1626285109 CAZPGJIZNQAPLK-HEHNFIMWSA-N 419.507 1.569 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1627751593 DRYIFCRQLFXOGQ-KKSFZXQISA-N 401.463 1.776 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1 1628480746 DTXAODUMGPLJEP-HNNXBMFYSA-N 401.531 1.043 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@@H]3CNC(N)=O)C2)C1 1632250236 QOOVLZPOVPWAEG-FMPZLKCCSA-N 419.526 1.823 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1cccn1C 1632618728 APXPXRUASORPPK-KBXCAEBGSA-N 402.476 1.164 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 1632880018 CEBLOSJTSDRXNO-IRXVASQBSA-N 400.410 1.211 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)c1 1637809024 SINVNVWQNLEQAP-KRWDZBQOSA-N 402.476 1.045 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCn1cc(C#N)c(O)nc1=O 1638155521 SMNXDSJRNPFVJV-YJBOKZPZSA-N 424.457 1.379 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1638905750 BPQWKGFWWIMYCM-IAGOWNOFSA-N 405.524 1.418 30 10 HDEE COc1ncc(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)cc1C#N 1644426318 AESMYJJMXRRQAP-GJQVQUKXSA-N 422.363 1.886 30 10 HDEE Cc1cc(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(C#N)cc1 1645733484 IKNULQQICIDLFF-SFHVURJKSA-N 401.488 1.851 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3sc4c(c23)CC[C@H](C)C4)CC1 1652162222 JVEDADYRLZSTBA-ZDUSSCGKSA-N 405.549 1.406 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)C[C@H]1CS(=O)(=O)C2 1652521655 UKRUHMJGOOKYMB-UGSOOPFHSA-N 405.476 1.888 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)CCc2noc3ccccc23)n1 1661770164 LWXGWLWOUPUMGT-UHFFFAOYSA-N 402.476 1.678 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)[C@@H]1C[C@@H]1C 1671658689 UYWJADALLFKNLA-JEOGCQQLSA-N 416.503 1.850 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC3CCC(C#N)CC3)CC2=O)C1 1672025684 OVLNEAFXSSEFPH-UYSNPLJNSA-N 419.526 1.836 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)NCCC#N)CC[C@H]32)CC1 1682123229 ZZTKGGAPACUIMD-JKSUJKDBSA-N 420.514 1.477 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CCN2Cc2ccc(OC)cc2)CC1 1682849784 WCQNYTGMNOMDPJ-QGZVFWFLSA-N 400.479 1.758 30 10 HDEE C#C[C@H](NC(=O)NCCCNS(=O)(=O)CC)c1ccc(Br)cc1 1686919986 QHMDANRNGHRSFD-AWEZNQCLSA-N 402.314 1.752 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)N(C)C 1689842140 VFJSSAGTSOJPMS-CQSZACIVSA-N 421.523 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1689852671 IWXAOESVIHBGPB-UONOGXRCSA-N 415.585 1.211 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccco1 1689953829 AQLUAPWMDVYVBO-FQEVSTJZSA-N 404.434 1.491 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C1CCCCC1 1689961070 KHXDKVZXRKPINA-UHFFFAOYSA-N 412.494 1.866 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1689961288 RREVYHQEHSFXDT-JOCHJYFZSA-N 422.489 1.286 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)cc1 1689966564 VNUJPHRRYZRIOW-KRWDZBQOSA-N 402.520 1.891 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(OCCOC)CCOCC1 1690056013 BQNYEIFOPOEGAE-UHFFFAOYSA-N 419.526 1.186 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1690060543 AKWFSIMDMHYURA-PXNSSMCTSA-N 424.567 1.746 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@H]1C 1690211007 QFTVPDADOWNDKC-DYESRHJHSA-N 400.527 1.113 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1 1690234913 QXJFVCYEMDFLBF-WMZOPIPTSA-N 411.510 1.922 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1690624276 MDYNIZLETYASBO-KRWDZBQOSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690669252 ZGODQFBGXSBQSV-MRXNPFEDSA-N 408.466 1.034 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(C)C)CC1 1690676129 QMMKWVPPTVVPJF-UHFFFAOYSA-N 416.501 1.829 30 10 HDEE CC(C)Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1692262559 JGCKOTPFEILNQN-MSOLQXFVSA-N 416.551 1.769 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1693549547 YWCUCOQFRMTXLY-QGZVFWFLSA-N 405.506 1.746 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1696582814 MJCGWXYRXMSQIY-KRWDZBQOSA-N 412.494 1.822 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697782195 RILFZCQHLJNTTI-SJORKVTESA-N 415.473 1.360 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnnn1C 1705572514 DWAQVGWSWVCWPL-UHFFFAOYSA-N 402.462 1.397 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CC1 1705638531 NLIDFWMQBWRQID-GOSISDBHSA-N 414.460 1.505 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705751937 CNVAWIILIAPZKS-CYBMUJFWSA-N 411.919 1.253 30 10 HDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705826185 QVZXGXBQDIRFRT-OAHLLOKOSA-N 420.901 1.537 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1)C1CC1 1705847916 ILVFAVTXSOBHRN-KRWDZBQOSA-N 402.543 1.637 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C 1705902870 LMDABBFFHGMSCK-INIZCTEOSA-N 401.515 1.461 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C2CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1705908322 NRESZHUSBGZSKQ-OKILXGFUSA-N 404.515 1.950 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)CC)n2CC2(O)CCS(=O)(=O)CC2)C1 1705915384 JYUHLBNKQIDTAS-JKSUJKDBSA-N 412.556 1.513 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CCO1 1709335145 GRPCCILPRXLTOE-GOSISDBHSA-N 417.473 1.974 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCOCC1 1722476317 QNNUJDCDJVWUHI-OAQYLSRUSA-N 400.527 1.115 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](OCCOC)C1 1722694810 JNFXFCAWKKAZKT-IBGZPJMESA-N 424.505 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1722729128 GANUPCFRBXMRGY-CQSZACIVSA-N 411.553 1.784 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1722730507 UZKFAXNIFFNNEN-IAGOWNOFSA-N 418.567 1.833 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCO1 1730589349 BUCQVVBGTSVFSK-GOSISDBHSA-N 413.478 1.210 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC(=O)N1 1730749673 DVCBAYGHZVEHRB-RBUKOAKNSA-N 424.505 1.585 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)F)C1 1731181122 FTQDSTNXXFUCBU-GOSISDBHSA-N 410.375 1.831 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCOCCCO)CCN1C1CC1 1731190543 QXDSPZFHHCAOCV-ZWKOTPCHSA-N 404.515 1.095 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CCO1 1731190692 SPJFYSBLFNUJRY-GJZGRUSLSA-N 404.858 1.528 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1740604538 BWNLJSOJECOVCC-UHFFFAOYSA-N 403.870 1.535 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1740622928 LBHXIQPAXDQMQZ-WZQKQDCOSA-N 410.565 1.083 30 10 HDEE C#CCN(CC)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1740663151 AIZBMIIBFMAEIX-UHFFFAOYSA-N 401.536 1.757 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCSC1 1740682025 ZXMWBEZHYPORAD-HXUWFJFHSA-N 416.503 1.628 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(C)CCCO2)CC1 1740704935 XDLGDNLCZFXJIU-JOCHJYFZSA-N 410.522 1.819 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740717559 VUCICVRPSUKYIG-HNNXBMFYSA-N 416.555 1.375 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740732850 SBHZUVAXCDBIBN-AUSIDOKSSA-N 422.533 1.751 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1740799687 SDVQCGBEQUCCQM-SCTDSRPQSA-N 419.526 1.406 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740861280 HZVCRSQTIXYVIP-HNNXBMFYSA-N 405.528 1.609 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740867700 SJTJVNVNLKTAEF-FQEVSTJZSA-N 417.514 1.197 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1740918918 WQWJXBRNYWVXSH-KRWDZBQOSA-N 417.535 1.509 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1c(F)cccc1F 1740958671 SNPSWAHBJCLFLI-MRXNPFEDSA-N 418.448 1.836 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cscn1 1740962245 WUGKDGSCPZVMCL-UHFFFAOYSA-N 422.518 1.912 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)C1 1740983721 OFMTUGRMZFBART-CQSZACIVSA-N 403.508 1.576 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)C1 1740985838 UOGXZQZMOBCFGV-GOSISDBHSA-N 424.509 1.827 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1746507804 HMLQRDGDOGDYFQ-ZWKOTPCHSA-N 410.478 1.656 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1748657786 JIFMRSULWWWAMA-KDOFPFPSSA-N 417.473 1.939 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748804093 CPSXWRCLZGBLBC-RBUKOAKNSA-N 401.536 1.516 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748811837 MKCLYLJMJKWLPQ-PMPSAXMXSA-N 418.498 1.500 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1748814655 IIPAFCPUFXPICE-ROUUACIJSA-N 424.567 1.963 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCCN(C)C)c1 1748846130 DAWRRLLXRMCPQR-HXUWFJFHSA-N 407.518 1.844 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)C 1748915371 UHBRVBSNIGVFGP-UHFFFAOYSA-N 401.467 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)CNC(=O)OC(C)(C)C)CC1 1749004486 JYMVARWWBFNLCA-HNNXBMFYSA-N 418.542 1.713 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1749219699 PVSQMFOOHSPVBA-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749225938 LUDXRXCIOKSBLP-DLBZAZTESA-N 404.515 1.174 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1749539267 XMXLGHHNOQOLGQ-VGOFRKELSA-N 408.506 1.900 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749672538 XFOQJYZBOUAMLI-ROUUACIJSA-N 404.559 1.326 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1749744392 JJQGCHJJRFXZEB-UONOGXRCSA-N 417.601 1.811 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1751103610 ISXLJNTVWOMUHS-BZSIDJSBSA-N 417.514 1.093 30 10 HDEE Cc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)sc1C 1751334783 FCHHHPTYHVLAPK-OAHLLOKOSA-N 415.523 1.445 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1760181272 RPXFKYKFAXFZBK-DZCMZPKPSA-N 422.551 1.523 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1760231481 UGKKVVJDMNWILL-UHFFFAOYSA-N 410.503 1.690 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2cccn(CC)c2=O)CC1 1760263008 KHIOVTLEAHZUSY-UHFFFAOYSA-N 422.558 1.916 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCOC1 1760280028 LPWZWAFUUMLIFQ-AWEZNQCLSA-N 403.508 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760327303 FXIAOFFQUGUWGE-LJCCNALRSA-N 403.527 1.853 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760565188 QDXAMTPCSOSXTM-HUUCEWRRSA-N 406.556 1.643 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760566211 OHZQBMDLXMCTHK-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CC1 1767104135 NBAWJIQJUICFDG-QRVBRYPASA-N 403.575 1.794 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1770751275 DYCRIHJJWQIIEH-GJZGRUSLSA-N 414.432 1.222 30 10 HDEE N#CCC1CCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770753871 PFXHQLCQYMWXHR-INIZCTEOSA-N 408.466 1.458 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCCC1 1771295531 SWILUWKQSKOQSD-ABSDTBQOSA-N 406.506 1.930 30 10 HDEE N#CCC1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cc[nH]n2)CC1 1771539680 HPEGZFDDCAFROJ-UHFFFAOYSA-N 405.466 1.623 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3cccc(F)c3)CC2)c1 1849783202 WLLWMSHKJFFWNX-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1849812613 MZZVXXPOXRPJGO-ZDUSSCGKSA-N 410.865 1.702 30 10 HDEE N#CCc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 1850013680 ATBKOCZSCHWEPE-CYBMUJFWSA-N 404.414 1.800 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)c1cn(CCN3C(=O)c4ccccc4C3=O)nn1)CC2 1850895761 VQEABBWKELTHAA-CQSZACIVSA-N 404.430 1.340 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1cccc(F)c1C#N 1852752156 NLOAQPFJXVIXOO-UHFFFAOYSA-N 422.404 1.769 30 10 HDEE CCOc1ccc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1 1853084267 YDLISACNWUZLQL-GOSISDBHSA-N 412.446 1.684 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](Oc2nc(OC)cc(OC)n2)c2ccccc2)CC1 1853239213 FKRAHBQWLYAICH-HXUWFJFHSA-N 410.474 1.781 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@@H]3COc4ccccc4C3)C(=O)C2)cc1 1853944448 HLZLWBCVVLLWFE-IBGZPJMESA-N 403.438 1.663 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CC(c4nnc5ccccn45)C3)C2=O)ccn1 1854335561 WCWSEKBIGKCSFU-QGZVFWFLSA-N 401.430 1.227 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(Cc3ncno3)c3ccccc32)CC1=O 1854719755 HKHXSKFEEDDHKA-GJZGRUSLSA-N 409.446 1.620 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2ccc(C(C)(C)C)cc2)CCN1S(=O)(=O)CC#N 1854872611 NLXXWAGUTBHXFZ-CQSZACIVSA-N 407.492 1.276 30 10 HDEE CON(C)Cc1ccc(Cl)c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1 1855343924 CCOQLHHBFSXPDB-UHFFFAOYSA-N 400.870 1.956 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(OC)c3)C2)CC1=O 1856042315 HOKDLRFUGGAPCB-MRXNPFEDSA-N 421.519 1.095 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)C1 1856154571 GISJITHALWBGDH-INIZCTEOSA-N 404.511 1.854 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1856156669 AJULQRCCONCHBM-QZTJIDSGSA-N 416.522 1.015 30 10 HDEE COc1ccc2nc(N3CC(C(=O)N4CC[C@H](N(C)CCC#N)C4=O)C3)sc2c1 1856541935 BFOWBQJCVFDJME-INIZCTEOSA-N 413.503 1.714 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)CC1 1857069008 SWGISSLBFKWPQH-KGLIPLIRSA-N 413.375 1.493 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857241863 UMUHDRWLKFEAFO-MSOLQXFVSA-N 404.511 1.998 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C#N)c1cccnc1 1858001160 KDXBUBLEAMJTJL-GOSISDBHSA-N 400.460 1.439 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1861596549 BSUVVCXHWZKTLR-SXLOBPIMSA-N 413.518 1.646 30 10 HDEE C=CCNC(=O)[C@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609699 OTBIDGWBJMKMMC-WMZOPIPTSA-N 415.490 1.803 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CSc1ccccn1 1870309450 JSBJYTLJOUAVKF-UHFFFAOYSA-N 401.488 1.959 30 10 HDEE COc1cc2c(/C=N/N=c3ccc4nnc(C)n4[nH]3)c(C(=O)O)n(C)c2cc1OC 1873793890 LJHISJQTVGLGSV-AWQFTUOYSA-N 409.406 1.508 30 10 HDEE CN(C)CC#CC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1889647181 BIQBKJPDOPKOSF-INIZCTEOSA-N 400.548 1.573 30 10 HDEE CN(CC1CCN(C(=O)CNC(=O)Cc2ccccc2)CC1)c1ncccc1C#N 1891111581 BVUDOWFFOYLZGA-UHFFFAOYSA-N 405.502 1.987 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cccnc1C#N 1963347571 JPRXTQQOSINNHZ-UHFFFAOYSA-N 400.460 1.842 30 10 HDEE C#CCn1ncc(NCCCONC(=O)OC(C)(C)C)c(Br)c1=O 1998960779 OALBDFHAQISGKF-UHFFFAOYSA-N 401.261 1.897 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@H]1C(F)(F)F 2174782492 QWFZQNDAHVZRCX-QJPTWQEYSA-N 412.434 1.464 30 10 HDEE COCC1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2174787529 VEXKFCIYJVPSQY-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247812210 DVVQBUZYRILMNQ-JOCQHMNTSA-N 420.319 1.742 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2247836388 BIYDWJBLCJYLFR-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2247838976 QDOJLUFBTZIFHU-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@H]1CCOC1 2247857307 UDQPUCYIDCOHRP-INIZCTEOSA-N 412.299 1.546 30 10 HDEE COC(CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2267352165 BOERHYROADZEEN-UHFFFAOYSA-N 411.738 1.598 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1O 2267357039 QGJFWQWMXCDUFG-KOLCDFICSA-N 407.750 1.702 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267710119 OAQLGVHDCLPNQN-APXPCNQMSA-N 407.388 1.234 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270535485 LBCDSCSYNDMOAF-ZWKOTPCHSA-N 422.503 1.868 30 10 HDEE CN(C)[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H]1O 2281932379 KPVQDQHOYYQQQF-NWDGAFQWSA-N 400.737 1.448 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCS(=O)(=O)CC1 2281959544 NWRJLERZZDTARD-UHFFFAOYSA-N 400.331 1.011 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282007827 FPVOWBMNBIBWKJ-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340324 DQZRPOKZMJFXBU-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CN 2282418090 GKKUROMBYASBFY-SJCJKPOMSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCC[C@@H]2O)OC1(C)C 2282494664 ATPHIWHZSXIIKY-KGLIPLIRSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(F)CC(N)C2)OC1(C)C 2282507265 FBRNZLHKUJYGSX-UHFFFAOYSA-N 404.338 1.296 30 10 HDEE CO[C@@H]1C[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H]1O 2282661977 VNAFTAMOBUHSLY-ADEWGFFLSA-N 401.721 1.969 30 10 HDEE CC[C@@H]1COC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840083 KTSVWZREWBQVMY-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CN(C)C[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282849273 YWLBQCUCVNKOPX-MQMHXKEQSA-N 400.375 1.666 30 10 HDEE CC[C@H]1CCNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851910 IYMKJLIXZDGUBS-STQMWFEESA-N 400.375 1.714 30 10 HDEE C#CC(CO)(CO)NC(=O)COc1ccc(Br)cc1Br 2290350615 QUYSGTQHOVJUTQ-UHFFFAOYSA-N 407.058 1.063 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2301662422 OOTQGJXICJKPFB-AWEZNQCLSA-N 423.319 1.583 30 10 HDEE CC(C=Cc1ccccc1)=NN=c1[nH]nc(SCC(=O)NCc2ccco2)n1N 2313707841 AUMAXRWGPKPVMX-UHFFFAOYSA-N 411.491 1.917 30 10 HDEE COc1cc2c(C=Nn3c(SC)nnc(C)c3=O)c(C(=O)O)n(C)c2cc1OC 2321646978 AYDGJEWQGXXQKV-UHFFFAOYSA-N 417.447 1.758 30 10 HDEE Cn1nc(I)cc1[C@@H](CN)N1CC[C@@H]2SC(=O)C=C2C1 2361038507 VFIJJZKTCJLJME-MNOVXSKESA-N 404.277 1.299 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]2CC[C@@H]21 2365201190 GGMXHNIKHLBWSI-QZNHQWIBSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCCOC1 2367793536 WIZDHHBUFDRITO-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367796432 IMXIEVDLXZVYMG-CVEARBPZSA-N 402.557 1.865 30 10 HDEE C=CCOC[C@@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36156836 BOAHRHGIBZUZDT-AWEZNQCLSA-N 407.536 1.875 30 10 HDEE O=C(OC1=CC(=O)c2ccccc2C1=O)C(=O)OC1=CC(=O)c2ccccc2C1=O 205100188 OXWJWCXVQNKRRX-UHFFFAOYSA-N 402.314 1.999 30 10 HDEE C#CCNC(=O)c1ccc(N2CCN(c3ccc(Br)cn3)CC2)nc1 301230036 IWSVJQVJQUMMTA-UHFFFAOYSA-N 400.280 1.929 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(C(F)(F)F)cs2)CC1 426640814 VJVBHRSLACRNBU-LLVKDONJSA-N 405.446 1.852 30 10 HDEE COCCCS(=O)(=O)NCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 432694765 IMVKNXYVGXLCAQ-ZDUSSCGKSA-N 404.286 1.086 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(Cc2ccccc2)CC1 465272498 AWGIIGUTNFEHHR-IBGZPJMESA-N 419.533 1.203 30 10 HDEE CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@]2(CCOC2)O1 478354046 KFPRIGURKASRIZ-LPHOPBHVSA-N 407.492 1.289 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)cc2C)n1 480128180 RBNUIQHDBPYQFO-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE CCn1nccc1CN(CCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 482900635 BRHYTHGRVWRZJP-GOSISDBHSA-N 416.551 1.168 30 10 HDEE CC(C)(C)OC(=O)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 488584177 RMJGLBOKYZMMMD-UHFFFAOYSA-N 422.507 1.306 30 10 HDEE COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCOC1 490324508 WDJUVYQYPVXMSD-SFHVURJKSA-N 421.519 1.223 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 506173322 MKLCJONYQMVOSE-NRFANRHFSA-N 401.463 1.938 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508921742 MSGQEDJANRWMDI-DLBZAZTESA-N 407.515 1.263 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1(S(C)(=O)=O)CC1 510557911 HNOZNJSXJUNNEW-SECBINFHSA-N 407.311 1.565 30 10 HDEE Cc1nc(C)c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 516498785 OXFFRVYXPBKEDT-UHFFFAOYSA-N 402.476 1.880 30 10 HDEE CN(C)c1nccc(N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)n1 525682991 MCHWVJUIPZEBIP-UHFFFAOYSA-N 417.477 1.145 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCN=c2cc[nH]cc2)n1 543000102 AJNZJKLBTDRQSF-UHFFFAOYSA-N 409.837 1.381 30 10 HDEE N#CC1(CS(=O)(=O)NCCCCN2CCN(c3ncccn3)CC2)CCCC1 546777645 DHVLZONKQXJHGC-UHFFFAOYSA-N 406.556 1.382 30 10 HDEE CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549357791 NMDDUKCLWYRHBC-UHFFFAOYSA-N 403.450 1.539 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2sccc2C#N)CC3)CC1 549697170 ZUTPCTXAVKDRJC-CQSZACIVSA-N 412.519 1.196 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C2)c(F)c1 553459364 ITUKSHNESHIOPI-HNNXBMFYSA-N 420.510 1.596 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 553901879 NJVCDGOIINMDPK-QGZVFWFLSA-N 404.423 1.443 30 10 HDEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)ccc1C#N 571133280 MRXVJVOLPHDXCN-UHFFFAOYSA-N 408.505 1.715 30 10 HDEE Cc1nc(C2(NC(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CCCC2)no1 582908613 BJRIRRMXDFESTK-UHFFFAOYSA-N 423.408 2.099 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)cc2F)C1 609231745 LDNSONLLEDZFRT-INIZCTEOSA-N 419.482 1.754 30 10 HDEE N#CCN1CCC(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 609329649 UCSPMGQGILDZDQ-UHFFFAOYSA-N 419.279 1.539 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2ccnc(C#N)c2)CC1 610993605 VQHNZAGFFRHNPJ-UHFFFAOYSA-N 418.475 1.456 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C1 714611865 VLVZOGOASYCMCX-GFCCVEGCSA-N 401.363 1.509 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C1CCN(C)CC1 727418199 OVJCEOZSCYSVHC-UHFFFAOYSA-N 414.531 1.189 30 10 HDEE COc1cccc(N2CCC[C@@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)c1 735379359 CFFQHYUVGZSFCB-MVZUJROASA-N 413.478 1.490 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 740205709 XFFUBCAFAMLRIY-GOSISDBHSA-N 412.423 1.541 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc(C#N)cc1 740211525 RDNGSXZIWMVBHT-KRWDZBQOSA-N 406.391 1.433 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2=O)c1 747952530 AXXOHDVXAAMXJP-APWZRJJASA-N 413.478 1.191 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)c(F)cc1Br 750312732 FNLXYHXONKBBSM-FYWRMAATSA-N 400.179 1.984 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 752332660 PNZJVYSPOJUYFH-MRXNPFEDSA-N 410.499 1.685 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cnc3nc(C)cc(C)n23)cc1 755801156 FBFWJEIMRGBOPD-UHFFFAOYSA-N 401.448 1.835 30 10 HDEE COc1cc(C(=O)NC2CCN(c3ccccc3C#N)CC2)sc1S(N)(=O)=O 756101758 MQDCZLMSOWZCPS-UHFFFAOYSA-N 420.516 1.675 30 10 HDEE Cn1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccccc2c1=O 756890036 ASWLNMJUICNGLG-SUMWQHHRSA-N 411.462 1.351 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCCCC2)sc(=Cc2cnn3ccccc23)c1=O 758069203 XJARMNJDUXQHJY-UHFFFAOYSA-N 416.506 1.843 30 10 HDEE C#CCN(C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 769143600 MHSJGACJEZWXNS-JKSUJKDBSA-N 414.524 1.051 30 10 HDEE CNC(=O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)C 772422964 ZPKXMTXGXIZTDG-PZBNQXIHSA-N 409.512 1.392 30 10 HDEE C#CCN(C(=O)NCC1(N2CCSCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 774213165 NHIRABZNFTXOLO-KRWDZBQOSA-N 413.609 1.570 30 10 HDEE Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1C 780853776 CQPHQRANMNZAKW-QFIPXVFZSA-N 406.486 1.991 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@@H](C(=O)NC)C2)c1=S 781576104 CXSPHQXPJBZVRZ-QGZVFWFLSA-N 417.535 1.892 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC(F)(F)C[C@@H]2CO)cc1 782022232 UBPGCYGDKCBUEE-QQJFDMGQSA-N 416.450 1.733 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nccn3c(Br)cnc23)n1 788815090 UUXQMGMWGBALBK-UHFFFAOYSA-N 417.267 1.610 30 10 HDEE C#CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@H]1CCS(=O)(=O)C1 791580140 WFCHDCTXOCQJSB-INIZCTEOSA-N 407.492 1.620 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC([C@@H]3CCOC3)C2)cc1 791781483 GHYPINWNXYEOGK-WVCJAJDESA-N 406.508 2.000 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCCNc2ccc(C#N)cn2)c(F)cc1Cl 795782670 JNTGNZGCYMBTEY-UHFFFAOYSA-N 412.830 1.923 30 10 HDEE Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccnc(C#N)c2)c(=O)n(-c2ccccc2)n1C 795969505 GGCKHMGXUWFLTQ-CQSZACIVSA-N 405.414 1.935 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 800605579 PDUPVIRRLKANSK-UHFFFAOYSA-N 407.536 1.369 30 10 HDEE C[C@@H](OCC(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccn1C 805843955 ZEJUEBSFMBEJAW-SNVBAGLBSA-N 416.381 1.893 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)c1ccc(F)cc1 812526116 CPWVKAOLKQKYHD-HNNXBMFYSA-N 400.428 1.989 30 10 HDEE COc1cc(OC)c(S(=O)(=O)NC(=O)CC2(C#N)CC2)cc1Br 815969786 HBFFQOBDPSYNSQ-UHFFFAOYSA-N 403.254 1.965 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 849579793 SGWUVKKGMRXOQE-MSOLQXFVSA-N 404.478 1.855 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 916775934 JTYJEIKIHFTUHQ-UHFFFAOYSA-N 404.492 1.432 30 10 HDEE Nn1c(NN=Cc2cccc3ccccc23)nnc1SCC(=O)Nc1nc[nH]n1 1084566544 DOSPSRVWTRBWJL-UHFFFAOYSA-N 408.451 1.440 30 10 HDEE C#C[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CCOCC1 1131468726 KQKCKWRZUMYZAE-MRXNPFEDSA-N 414.321 1.909 30 10 HDEE N#C[C@@]12CN(C(=O)/C=C/c3ccccc3OC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1134055990 JELXWNGGDCZYII-FVXJHOQFSA-N 400.378 1.995 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1136672540 QHYGVNGOHRYNPK-LFZRXMKSSA-N 420.420 1.540 30 10 HDEE CC(C)C[C@@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCNC1=O 1141515327 YEBSRTUHARRFCR-JOCHJYFZSA-N 408.506 1.927 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC1(C#N)CCN(C)CC1 1144003323 JEMCVQYCYYAMFY-INIZCTEOSA-N 409.531 1.146 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1158280526 JBGTZJSBXIERJF-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](O)(C(F)F)C3)CC2)cc1 1158658324 LOIJJZUELLAAAV-SFHVURJKSA-N 413.446 1.187 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N[C@@H]2CCCN(O)C2=O)cc1 1159641987 SLADZBQOGHDXCI-OAHLLOKOSA-N 423.491 1.422 30 10 HDEE Cc1nc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n[nH]1 1164292194 UJCPYLUURMFBJT-UHFFFAOYSA-N 402.499 1.412 30 10 HDEE CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176421057 BESBYURUIWVOKF-JXFKEZNVSA-N 407.511 1.823 30 10 HDEE C[C@H](N[C@H](CO)c1ccccc1I)C(=O)NC1(C#N)CCC1 1176842030 NXYPAZRDAUVLAV-SMDDNHRTSA-N 413.259 1.865 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)[C@H]1CCCO1 1189428507 ARYWIOYXWYUKOG-ZSYWTGECSA-N 422.503 1.123 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)c1 1213371795 ZPJKAYRIKBVZTI-PBHICJAKSA-N 410.492 1.239 30 10 HDEE C[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1c1ccncc1 1227631442 GPBFKDJGMMRGEO-UWJYYQICSA-N 418.501 1.974 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CC4(CCOCC4)CO3)CC2)c1C#N 1254375717 KJZUYPBAZXOJJO-OAHLLOKOSA-N 405.524 1.741 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)C1 1254556356 KFUQZTSDZZFUFV-FQEVSTJZSA-N 417.550 1.933 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(c4ccsc4C#N)CC3)CCCO2)cn1 1256140554 ATOAPPSADDRWQJ-LJQANCHMSA-N 400.508 1.891 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(OC)CCOC1 1286400734 KEAQPMOJRJJTPF-SFTDATJTSA-N 402.495 1.197 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1286422050 UOJTWMXDAIEYCU-UHFFFAOYSA-N 416.485 1.529 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCN1C1CC1 1286460252 BUQTVYBFAWIHRK-GOSISDBHSA-N 402.543 1.519 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1286466779 MWLJIUKXHTYAKD-SFHVURJKSA-N 417.535 1.175 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1286727615 VOMPCSWVPNYNOC-AWEZNQCLSA-N 421.498 1.372 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(C)=O 1286742014 MVOQXFMGQFWXHO-LJQANCHMSA-N 421.505 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 1286786060 WFWUJYAHDRZPOX-UHFFFAOYSA-N 400.483 1.478 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286790582 URQGIFRVIQWJDS-CJNGLKHVSA-N 420.539 1.176 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCCCC2)nnc1[C@@]1(OCC)CCOC1 1286825941 ZWPJMLBPFYPOJI-LJQANCHMSA-N 412.556 1.911 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1286965169 HGXXWCJOEHNGAD-RHSMWYFYSA-N 405.466 1.454 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1288303319 VXLBJPSVQGGULO-OLILMLBXSA-N 421.567 1.970 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1290865589 UINOEJKCZWJGSJ-AWEZNQCLSA-N 406.416 1.815 30 10 HDEE CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1292904720 MRCJYPDZQLSNSW-JSKCELRFSA-N 401.515 1.286 30 10 HDEE N#C[C@]1(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)CCc2ccccc2C1 1296580735 KEALYZOMPNGWFE-IBGZPJMESA-N 405.426 1.811 30 10 HDEE CN(CCc1cnccn1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298632699 OPNWFMFLQGRKOB-ZPHPHTNESA-N 408.466 1.151 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1300424365 FHZYTNGCHZJNCG-WIYYLYMNSA-N 414.510 1.655 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1300489017 ZCUWTCRDVXUMOE-QGZVFWFLSA-N 419.551 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1 1300506606 WDVRYPSHDGABRQ-SFHVURJKSA-N 412.538 1.528 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1300768668 VHVRUYVOZMELDO-IRXDYDNUSA-N 404.584 1.686 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1cn(C2COC2)nn1 1300786842 IFKIWBCWYGQCHR-FOIQADDNSA-N 415.498 1.205 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1300983683 MLNMJZSASREMRL-UHFFFAOYSA-N 408.528 1.285 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1302586047 YTBQXGVMKLEMPG-JCGIZDLHSA-N 412.465 1.910 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)C1 1302979519 RCVKUIASGLNDBS-SPYBWZPUSA-N 406.462 1.257 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 1303412447 IZKMOMZJLHUTMW-DZGCQCFKSA-N 404.410 1.828 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)c1 1309533368 ZIWLQMGUADLVFB-CQSZACIVSA-N 405.442 1.907 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(CC)CC 1310013215 JZEAOXWOEIQTKE-MRXNPFEDSA-N 422.551 1.823 30 10 HDEE C#CCN(C(=O)NC[C@@](C)(COCc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1312990902 NSSGYBIBAFMZQA-ICSRJNTNSA-N 408.520 1.440 30 10 HDEE CC[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)OC(C)(C)C 1313328915 VRGNCUXXEGIYIZ-HUUCEWRRSA-N 402.499 1.936 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCSCCCO 1314741027 JGVMEQBGKCXBES-KRWDZBQOSA-N 414.535 1.853 30 10 HDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cn1 1315486710 AZOGHAJOJWPWIU-CHWSQXEVSA-N 407.500 1.079 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1316115840 ILXXQKBMVFQLFD-BBWFWOEESA-N 404.515 1.405 30 10 HDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1321741808 AHVYVEGSTJPCSY-RAJOGRCSSA-N 417.510 1.193 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)nn2C)cc1 1350773538 FMRVEBUUXOSYRK-XQNSMLJCSA-N 416.507 1.687 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cn1 1351650391 OIWDWMMFBAXCMO-UHFFFAOYSA-N 404.423 1.294 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1358946185 LZZOTQGICGIRGJ-UHFFFAOYSA-N 421.505 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)(F)F)CC1 1359033427 BQGYQARIIZKBFD-UHFFFAOYSA-N 424.402 1.518 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(C(N)=O)C1 1359099616 QPAUCMKGUYOUMX-VWXURSGXSA-N 403.527 1.855 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359118340 COCKBXKNICHTJO-WBVHZDCISA-N 415.519 1.640 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1359213765 GIQVKDBKJGLKSY-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)C1 1359313165 HUTSCLIHQRYGNT-GJZGRUSLSA-N 415.535 1.952 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)C1 1359322312 SWUGBFIKDRIOHX-HUUCEWRRSA-N 412.581 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N(C)C(=O)OCC)CC1 1359332670 DBLHLHZZQVZDDR-UHFFFAOYSA-N 413.544 1.498 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)OC)CC[C@H](C)c3ccccc32)C1=O 1440143686 HDTRHYBEUINQFZ-YEJXKQKISA-N 413.430 1.045 30 10 HDEE C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1440406781 NKZOEMXQMWQWRE-UHFFFAOYSA-N 401.897 1.785 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 1448851388 ULUQXAXOIZUMSF-JTSKRJEESA-N 413.474 1.666 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2ccc([N+](=O)[O-])cc2I)C1 1452244568 KCRFBSYXZTWEBS-ZDUSSCGKSA-N 401.160 1.690 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4nc[nH]n4)CC3)C2)C1 1452536896 BFYWMYOTESXNLJ-RDYUPDBUSA-N 415.498 1.240 30 10 HDEE C[C@@H]1CCC[C@@H](CCN(C)C)N1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1453747040 DCFLEGPQCZQHDH-CVEARBPZSA-N 406.552 1.837 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)cnc21 1455092312 KGQDMCXHKAKCNB-CYBMUJFWSA-N 403.320 1.939 30 10 HDEE C[C@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)CC(=O)C=CO2 1460862365 VTZUGVTUWXDKDX-CQSZACIVSA-N 415.446 1.832 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1463606348 CJABGOIZMQVCKI-YMTOWFKASA-N 421.288 1.947 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccc(Br)cc2)C1 1464017367 XGYWXQHZFVQKPK-GXTWGEPZSA-N 400.298 1.802 30 10 HDEE C=CCC1(C(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)CCOCC1 1464943237 ABHSFXLUEYVGRY-UHFFFAOYSA-N 415.534 1.942 30 10 HDEE CCOC(=O)[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1466166215 HLIKIEYRZJINCL-DLBZAZTESA-N 417.462 1.433 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1469107133 DJKBPBFZMUBLBR-NUJGCVRESA-N 401.488 1.087 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)CC1 1471809120 IPVILDDSESVVCV-GOSISDBHSA-N 421.538 1.637 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1cccc2c1OCCO2 1472033104 WQBYSDFZVMOMHP-AWEZNQCLSA-N 415.471 1.355 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F 1472226174 HSDQAGIFFFJTRH-ZKYQVNSYSA-N 405.398 1.309 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1472293941 ZWSKBZUWEYFMTB-SJORKVTESA-N 423.510 1.202 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@](C)(C#N)C1 1473837044 HUYHEUYCPOBPPG-HXUWFJFHSA-N 420.535 1.723 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)NCCNc3ncccc3C#N)cc2C1 1474881074 JLJWQIJGTCXQGG-UHFFFAOYSA-N 405.505 1.310 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)CC1 1476217500 CCTCQBIZXHLFRY-HNNXBMFYSA-N 400.479 1.587 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1477704929 IBYTYOJKZVZESD-UHFFFAOYSA-N 419.547 1.921 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)C1 1478230492 LDESYCXPPFLRST-FQEVSTJZSA-N 418.563 1.509 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1478313652 XWJZAACMWMKXHE-JOQOYGCGSA-N 408.911 1.498 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1503052463 SDSGEGDOVSPNBS-JSKCELRFSA-N 402.499 1.966 30 10 HDEE CN(C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1503403209 QYAKNZFGHIGYAY-OAHLLOKOSA-N 420.464 1.454 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC2(C(N)=O)CCOCC2)cc1 1505314817 BNTFHANFJXWDAI-UHFFFAOYSA-N 424.505 1.308 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1507541832 IRDAVZGVKCUVSG-INIZCTEOSA-N 416.551 1.450 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1507630550 BXCAALZMLIOXNK-INIZCTEOSA-N 403.508 1.493 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1507687799 SIEDWQWNRNFTAB-FQEVSTJZSA-N 422.533 1.569 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1507687872 UDCCPGWPPSGXRQ-GOSISDBHSA-N 408.506 1.877 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)COC1 1507709566 VURHGTLAXJUWNQ-UHFFFAOYSA-N 408.466 1.043 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507749907 BBVSWSFIQVABSR-UHFFFAOYSA-N 413.551 1.796 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1507812252 KVKJNKAXCIWADH-GFCCVEGCSA-N 413.573 1.753 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1507983619 QWMVBMHNCZNGNF-HNNXBMFYSA-N 415.560 1.438 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1510170939 XSOZUFWXTBRYIL-DZGCQCFKSA-N 422.511 1.407 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCC(=O)NC1CC1 1513912461 ASASUTFTVQVSMA-UHFFFAOYSA-N 408.510 1.493 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCOC[C@H]1C 1513923093 FEUBFKZCZSAFTB-IKGGRYGDSA-N 410.526 1.890 30 10 HDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1514534636 UUKMCCTXTXZWCA-SFHVURJKSA-N 409.494 1.847 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1519451336 WFFLOGCVUNVRLX-YVSFHVDLSA-N 405.499 1.546 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539230497 IBSMHSNIVHGAEX-HMDCTGQHSA-N 408.524 1.210 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(OC)CCOC1 1539265446 GCLJSKHLKBMYII-DENIHFKCSA-N 408.458 1.669 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1539344060 WROYRHSGOUWOPT-OAHLLOKOSA-N 405.524 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@H]2COCCO2)CC1 1539475332 BYZBKJXNUUMUFL-IBGZPJMESA-N 424.505 1.111 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C)C1CC1 1540094329 FPXNISPNGVKLHL-UWJYYQICSA-N 405.543 1.806 30 10 HDEE CCON1CCC(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1540647703 GJICVQODKFAPKF-UHFFFAOYSA-N 420.535 1.445 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCCCC2)C1 1540900942 NXVVZTBFOUNZDL-KRWDZBQOSA-N 418.567 1.939 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3ccnc(N4CCOCC4)n3)c2C#N)C1 1540917732 CFXJSDYEIXVJGE-UHFFFAOYSA-N 412.475 1.403 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O 1541116148 KNVMXJVTRQNOCS-GFCCVEGCSA-N 412.466 1.292 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c1 1542674596 AOKARFYITTYURB-UHFFFAOYSA-N 418.523 1.455 30 10 HDEE CN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccc(Cl)cc21 1543544766 CYICJWHGLYCSIM-UHFFFAOYSA-N 404.879 1.862 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1545696548 RAQKVQPPWLOKAY-ZIAGYGMSSA-N 415.498 1.906 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCN(C)C1 1545760659 GZAOOCJIALMCHH-JQVVWYNYSA-N 410.522 1.615 30 10 HDEE CCOCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1548235334 WPHOGJYZTIACBD-MAUKXSAKSA-N 412.560 1.835 30 10 HDEE COCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCC1 1555306698 YDUNYVIQHZHJRF-UTKZUKDTSA-N 419.526 1.864 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc([C@H]4CCOC4)n3CCCCCO)CC2)nc1 1555990501 DOCXEKPBJBMYFG-SFHVURJKSA-N 411.510 1.538 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)NC1CCCCCC1 1556750127 ZQSCRRGEFBFJLX-GFCCVEGCSA-N 401.510 1.469 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C(=O)OC 1556971032 OYOYLWQRVRAMEL-RTBURBONSA-N 416.499 1.824 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(C3CCN(C)CC3)C2)c1 1585750917 NNPBSOATKNOTDZ-FQEVSTJZSA-N 417.575 1.724 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1585942130 AURSHEKLXRYZBX-HUUCEWRRSA-N 403.545 1.776 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2ccn(CCC#N)n2)C1 1586592690 KQHONZMPUMASHF-ZDUSSCGKSA-N 411.484 1.159 30 10 HDEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1586965795 OCVRDEZGHLUSNR-UHFFFAOYSA-N 414.911 1.473 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1587862044 SOJNDEXXJHTXPZ-ZWKOTPCHSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1588064710 NQJGGVLHZQRYLZ-QGZVFWFLSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1588118093 YDRFORFXHDLUGR-UHFFFAOYSA-N 422.514 1.458 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OCC2CCCC2)c2ccccc2)CC1 1588199224 JPINTDYPSQWDTD-HXUWFJFHSA-N 419.547 1.546 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1588228669 JPIPYSUPXOIFRB-IAGOWNOFSA-N 403.552 1.126 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CSCCS1 1588245534 IKFJWVPIESPHQY-INIZCTEOSA-N 403.577 1.712 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1588387474 URVSAJLQNVWVFE-AWEZNQCLSA-N 411.528 1.164 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC=CO2)CC1 1588884923 OQTHEMYYVLSYEF-QGZVFWFLSA-N 414.510 1.075 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1588929570 CYAAKNIBHGNJPT-CDMIOBSGSA-N 415.538 1.299 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595467760 YWAOXIFLZAKSDU-UHFFFAOYSA-N 402.524 1.728 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](COC(C)C)C1 1595544412 HUJLSGJXLCSYPI-SJORKVTESA-N 407.515 1.105 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1595555800 HNBQCGCZQIUZDR-OAHLLOKOSA-N 401.442 1.310 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCCO2)nnc1[C@@]1(OCC)CCOC1 1595595431 UQHJLNNGKMVEEM-OXQOHEQNSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C[C@H]1CCOC1)C1CC1 1595789429 SJVYZFMQBPZLQU-OAHLLOKOSA-N 418.523 1.341 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@@H]2C1 1595905647 NRJNNSITRPDSJC-BZSNNMDCSA-N 423.583 1.442 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3Cc4cc(O)ccc4C[C@@H]3C(=O)OC)cc2C1=O 1607657844 HKSHPQVNVDYMMF-LJQANCHMSA-N 420.421 1.914 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1611251796 FMASAIMGBBMJTM-WOJBJXKFSA-N 414.506 1.716 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(C)[C@H]3C)nnc12 1611662747 UUUPTWDRKMNXEW-DZGCQCFKSA-N 412.519 1.531 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1=O 1615827577 USAINVKQSTYHKM-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1616205269 GMRCVNJLDAAAIH-KFKAGJAMSA-N 409.462 1.178 30 10 HDEE Cn1nccc1[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1617864945 PSYDGYVLBYVKSQ-FUHWJXTLSA-N 422.445 1.097 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1619615660 HXRDTFYOHXUJAA-RDJZCZTQSA-N 400.458 1.893 30 10 HDEE C#CCC1(NCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)CCC1 1620605779 ZOGPFXUTYPBFGQ-UHFFFAOYSA-N 403.527 1.712 30 10 HDEE CN1CCO[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1=O 1625039287 JKZPLESDEILQFB-GFXBCDTMSA-N 422.507 1.075 30 10 HDEE C[C@H](Cc1ccc(F)c(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1630030393 GBUSSWQVQCZYFD-SNVBAGLBSA-N 423.242 1.717 30 10 HDEE N#C[C@]1(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCCOC1 1632642637 PLRSPCPZDNJEEY-NZQKXSOJSA-N 410.518 1.642 30 10 HDEE C=C[C@@](C)(O)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1633163480 XXPXCQZNACMDNC-MRXNPFEDSA-N 420.325 1.768 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OCC)CC1 1634263963 OSDHGNIZJMGBEY-HNNXBMFYSA-N 411.499 1.470 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccncc1 1634775827 FQQUSVFKAZYJCC-ULQDDVLXSA-N 419.478 1.470 30 10 HDEE O=C(CN1C(=O)CCC1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464149 UQZIUJJNYBRVFW-BQBZGAKWSA-N 408.245 1.765 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1637390020 PSZDHCOLBRBRCA-DLEKYWELSA-N 402.476 1.846 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)nn1 1639561188 GXHWIMBEGVBZEX-QZTJIDSGSA-N 406.446 1.672 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCS(=O)(=O)C(C)(C)C3)ccc2c1=O 1639736998 BWRSKBJHAFXPEP-ZDUSSCGKSA-N 421.544 1.957 30 10 HDEE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640447008 LJSQMEVXFCFATH-AOSWFRPUSA-N 423.473 1.976 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1644429088 OAZRIGLURIHCHR-ULQDDVLXSA-N 406.548 1.660 30 10 HDEE CN(C)Cc1csc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1645638080 RSLFMAIMOKQJFA-UHFFFAOYSA-N 421.548 1.340 30 10 HDEE CSCC[C@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)c2ccccc2C1=O 1647903762 CPYWAGHPYGXMFR-MRXNPFEDSA-N 401.488 1.841 30 10 HDEE CCC[C@@](C)(O)Cn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1649626222 MLCXKKCANRQZAG-HXUWFJFHSA-N 400.483 1.901 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccccc1F 1651134580 HOCWKWVPDVQTOD-QGZVFWFLSA-N 405.451 1.558 30 10 HDEE COc1ccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1O 1651332508 WKEZJEJQVIBXOL-UHFFFAOYSA-N 403.460 1.484 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)NCc3nc(C#N)cs3)ccc2c1=O 1652903800 FKOCMHJPENVVFV-UHFFFAOYSA-N 415.500 1.980 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 1653852168 WKGPPJYZDRKSMQ-INIZCTEOSA-N 407.426 1.940 30 10 HDEE C=CCN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1657599452 JLDFFOZPIBBUTM-IAGOWNOFSA-N 402.557 1.670 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1663183412 QBTCJGJEFDSMJD-INIZCTEOSA-N 411.524 1.719 30 10 HDEE C=CCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1670240326 VYWAIENIUPFRDT-VXGBXAGGSA-N 414.446 1.746 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H]2CC[C@]21CNC(=O)OC(C)(C)C 1670882051 BPQKIHFJILHLBJ-KDOFPFPSSA-N 401.529 1.676 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 1670883013 UFWPHYQRAFNZRX-HVEKOLDVSA-N 416.540 1.556 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 1671494662 CPUSSLDYQWRUST-QWHCGFSZSA-N 402.517 1.258 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)cc(OC(F)F)c2)CC1 1674375657 LDBZVVCVJNQADH-UHFFFAOYSA-N 406.386 1.044 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1677397411 XYIMFCJFZNLGKT-KRWDZBQOSA-N 403.479 1.646 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1678937246 AVHHKOZDCIOBBH-UHFFFAOYSA-N 422.485 1.273 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1689824816 XYWRGPHXGKSHRU-SFHVURJKSA-N 424.549 1.755 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1689993175 XFXHTGWFOALQGK-ROUUACIJSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1690019933 VGSYTGXZIZWYLZ-CQSZACIVSA-N 419.411 1.776 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1690046336 AZHWNIAQPXZPDF-LSDHHAIUSA-N 412.462 1.067 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCO[C@H]1C 1690097059 AJXDHCHJUYRVQC-IFXJQAMLSA-N 405.886 1.619 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1690138272 XMXQZKHCLVSXQU-UHFFFAOYSA-N 418.542 1.856 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(S(C)(=O)=O)CC1 1690194090 YWHZWQDWPOXPFK-MAUKXSAKSA-N 410.540 1.571 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1690265046 JEJWZLFLBHWBNR-ROUUACIJSA-N 423.583 1.841 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@H]1C)C1CC1 1690550392 VUOGBDZCHUNZSN-VBKZILBWSA-N 417.535 1.964 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690676407 ZDKZRDZBLBYIAU-JOCHJYFZSA-N 424.505 1.184 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)NC)C1 1690694917 XSHOVOSRHOHEOV-HNNXBMFYSA-N 421.523 1.284 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2OCCC2(C)C)CCOC1 1692591814 FIOLTQDAOSPGJI-CBGDNZLLSA-N 419.526 1.863 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)n1 1693174206 AGWJCINERZFTRG-AWEZNQCLSA-N 403.512 1.280 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1 1696197192 HOANMVHRRLOXDX-RDYUPDBUSA-N 401.442 1.743 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCNC(C)=O 1696347089 ITAKDFZGMOCTSZ-LJQANCHMSA-N 412.494 1.790 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1697045002 IPLHQQIMSQNNRW-JOCHJYFZSA-N 422.489 1.684 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1Cc2ccccc2O1 1698060844 IFSKYJBAGUJMAD-IRXDYDNUSA-N 410.478 1.599 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CC=CCC1 1698246047 MPXXKRDHHRAWHW-ZWOKBUDYSA-N 404.490 1.706 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1705474112 CMPWISNKKJTEMK-GMYLUUGSSA-N 400.508 1.685 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOCC1 1705486263 ADACENOHODMOBW-QGZVFWFLSA-N 411.506 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=C)C 1705626975 PNOPDVUQTDPHJI-UHFFFAOYSA-N 402.524 1.900 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1705638314 GJMZDHFACJKVJB-JENIJYKNSA-N 400.527 1.046 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1705710952 VIDKZABYIFAKGH-KGLIPLIRSA-N 412.560 1.205 30 10 HDEE C=CCCOCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1705833233 YHTMAHCGTLYYTG-OAQYLSRUSA-N 418.542 1.983 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1705835106 ZWAQKGZOADOIHQ-UGSOOPFHSA-N 411.528 1.628 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1705876062 OACGBSWKEYZXRZ-SJORKVTESA-N 409.556 1.079 30 10 HDEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1705877028 RPMVBLNJYJGMGV-JOCHJYFZSA-N 408.506 1.974 30 10 HDEE CCc1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709117158 YXSYNJMTHMXWAA-QBNCKDSPSA-N 413.526 1.432 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1709328898 NZMCUZJUCKFQAK-IRXDYDNUSA-N 423.477 1.420 30 10 HDEE CCN(C)C(=O)Cn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1709898834 CXBYIGLKRFNOMP-UHFFFAOYSA-N 401.902 1.917 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@H]1NC(=O)CC1(C)C 1712453993 FQELSDNRLHYSLE-JKSUJKDBSA-N 404.515 1.801 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1712617965 PLSJOMZJKYGNBC-HXUWFJFHSA-N 416.482 1.799 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722322293 RDBSEMQYDWJEJJ-INIZCTEOSA-N 402.499 1.642 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1722398897 FDCUOANWMAQYLZ-HSZRJFAPSA-N 417.517 1.046 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2(OC)CCC2)CC1 1722441523 RYTUXIBPTSHGNB-UHFFFAOYSA-N 400.527 1.115 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722461906 JPJZNHSXMCHQBM-QGZVFWFLSA-N 418.567 1.072 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1722608045 RPTZGOBEBZOEBQ-UHFFFAOYSA-N 411.466 1.970 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1N(C)CCCC1(C)C 1722680089 WGGBGFFFBXGPHU-IRXDYDNUSA-N 404.559 1.988 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCC(O)CC2)C1 1722712447 SBUHWOYYFVNFIQ-GOSISDBHSA-N 400.527 1.901 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1722854461 OHSHLPIUEDXXAD-ZDUSSCGKSA-N 408.466 1.858 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1723778711 DCRGQCWUXBORLM-CQSZACIVSA-N 402.524 1.951 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728451408 QLTUALKMQMPXJM-ZPHPHTNESA-N 410.482 1.442 30 10 HDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1728511689 FSHIBZOFTCAUQW-CRAIPNDOSA-N 412.535 1.352 30 10 HDEE CCOCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCC1 1729119630 CCEDPZRFVWVQQV-QGZVFWFLSA-N 416.526 1.840 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1729618513 WOTKZNFGBRFPSB-WOJBJXKFSA-N 422.505 1.533 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1740641380 ILIBUABAANSRAG-PGRDOPGGSA-N 411.506 1.202 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740794633 FJTIKCZWQWLUOZ-OTWHNJEPSA-N 405.543 1.532 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1740939881 LDBHVUXRVHUUFK-INIZCTEOSA-N 407.540 1.747 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740954010 ZBJCLMHTCCKDGR-ROUUACIJSA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1740958812 VKRVBXAYSRLMPF-UHFFFAOYSA-N 404.559 1.785 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1Cc1ccc(C#N)o1 1741370874 QKLMUAGCWLNXDS-UHFFFAOYSA-N 420.477 1.735 30 10 HDEE CNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1748270667 DJUNHLIRDMAVLJ-LJQANCHMSA-N 410.413 1.172 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1748650662 BHGPESPERJUASO-UONOGXRCSA-N 403.464 1.746 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1748790473 YUVNBDYGRHNPOD-OAHLLOKOSA-N 420.514 1.134 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccccn1)[C@H]1CCS(=O)(=O)C1 1748817892 SBYWGLKPMIZPJL-INIZCTEOSA-N 401.536 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)C(C)(C)C 1748825501 XUYZCQDVLFOPJZ-UHFFFAOYSA-N 421.567 1.483 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)N(CC)CC)CC1 1749010462 RZMYXDGKSQGZQM-HKUYNNGSSA-N 416.570 1.478 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749033269 CKWZYFCIEYMWIJ-LPHOPBHVSA-N 416.595 1.511 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749049971 ULPBCRSJGSDEMX-CABCVRRESA-N 404.496 1.765 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H]2C)CC1 1749329886 UXBWCUMTPTZORK-HZPDHXFCSA-N 410.588 1.775 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749448161 UIKCRNQTISHRSA-HXUWFJFHSA-N 424.505 1.751 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749677418 YULISYBEBLMGTF-HSZRJFAPSA-N 422.533 1.615 30 10 HDEE C=CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1749763890 MBYQODQJQIBGRS-HXUWFJFHSA-N 423.583 1.908 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCC(O)CC2)C[C@@H]1O 1750335815 INAHVKMFZOJIJO-UTKZUKDTSA-N 424.549 1.871 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1760257949 MQHXHLOJIHKROS-UHFFFAOYSA-N 422.581 1.121 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1760285013 XDQCDCBICOPJKZ-UHFFFAOYSA-N 423.546 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760336228 WHVNUIXMVICNRJ-MYZZLAAOSA-N 416.526 1.267 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1760504910 FSDDMMUUKDCZRD-SFHVURJKSA-N 406.575 1.447 30 10 HDEE C=CCn1c(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760513454 YAZDWNSDVXOJOP-DENIHFKCSA-N 418.586 1.721 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 1760571766 QMFIRIYHUXDVTI-ABSDTBQOSA-N 424.567 1.917 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCC(C)C)n1 1762459567 NQZRMTGYTCXKCW-SFHVURJKSA-N 401.515 1.931 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCC(F)(F)F)cn1 1767464871 OLNNAGRMKSDMTO-GFCCVEGCSA-N 401.418 1.703 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1768186324 HPCVTSUITVGFAW-OAQYLSRUSA-N 412.494 1.822 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CC1=O 1769900213 KJTBYZZYTXZGKU-VQIMIIECSA-N 424.505 1.537 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC(F)F)CCN1C1CC1 1770748432 OLXFJGHRHQCJDF-HUUCEWRRSA-N 423.468 1.078 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CC2)C1 1771529771 UOCVCXNKJXFWPN-YJBOKZPZSA-N 411.503 1.439 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cn2nc(C)cc2C)C1=O 1854100140 NKPYQYNOJJWQNE-QZTJIDSGSA-N 401.511 1.126 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CCN3CCOCC3=O)C3(CCCC3)C2=O)c1 1854230061 IZCKECPQFXNSTK-UHFFFAOYSA-N 410.474 1.014 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)COc3ccccc3)C2=O)C1 1854262404 FCFYDZRJTSYUMK-IBGZPJMESA-N 406.442 1.613 30 10 HDEE C=C(C)CN1CCN(C(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)C(=O)[C@@H]1C 1854700093 FJXSTGITPVZDQS-HNNXBMFYSA-N 414.510 1.374 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(N(C)C)ccn2)CCN1CC(=O)c1ccc(C#N)cc1 1855120927 JYAXEMNTFIPXNC-OAHLLOKOSA-N 405.458 1.575 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)CN4CCCC4=O)C3=O)CC2)cc1 1855450275 MVNDTMZOLWAJAL-IBGZPJMESA-N 410.474 1.151 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@@H](CN(C)CCC#N)CCC2=O)cc1 1855474843 YTMIJYWOFUOASG-MRXNPFEDSA-N 421.519 1.470 30 10 HDEE C[C@]12CCC(=O)N1CCCN2C[C@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1855807037 NCKJSIIAJSWTCA-AUSIDOKSSA-N 408.502 1.910 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856101567 WSRSQEGXFVDXPA-HUUCEWRRSA-N 419.503 1.103 30 10 HDEE CN1CCN(C2CCN(C[C@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)C1=O 1856150807 PEKRJANITUJPCD-QGZVFWFLSA-N 409.490 1.379 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4ccccn4)C3=O)CC2)n1 1856976288 VEFBAVSBXJLPII-IBGZPJMESA-N 405.458 1.880 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857087294 KZOBNWVEBMAYJM-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCCC[C@@H](N2CCC(CC#N)CC2)C1=O 1857192667 OXAFVPYTUWAPSC-QZTJIDSGSA-N 424.567 1.334 30 10 HDEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857310231 UXJFJYHDKCLKMO-GOSISDBHSA-N 403.504 1.845 30 10 HDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCCO2)CC1 1857375271 VHODVFJCHDAHHB-SFHVURJKSA-N 417.487 1.596 30 10 HDEE CCOC(=O)c1ccc(N2C[C@H](C(=O)N(CCC#N)[C@@H](C)C(=O)O)CC2=O)cc1 1866319455 VPEJGFSAFGDLJK-DZGCQCFKSA-N 401.419 1.432 30 10 HDEE Cc1nc([C@@H](C#N)C(=O)CN(CCO)Cc2ccccc2)sc1C(=O)N(C)C 1872797414 KEVOLUQPVHNVJC-INIZCTEOSA-N 400.504 1.824 30 10 HDEE C#C[C@H](COc1ncnc(I)c1N)NC(=O)OC(C)(C)C 1886353042 MMHJFIKTFIYNOH-MRVPVSSYSA-N 404.208 1.569 30 10 HDEE CCCc1cc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)no1 1890824264 CTNOVZYQGICGSL-UHFFFAOYSA-N 402.539 1.889 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1908254676 SLJUYYIHPPTYKO-FZKCQIBNSA-N 423.363 1.992 30 10 HDEE C#CCn1ncc(NC[C@@H]2CCCCN2C(=O)C(F)(F)F)c(Br)c1=O 2106082107 YBXALPCBEKKVGQ-JTQLQIEISA-N 421.217 1.994 30 10 HDEE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC(C#N)CC1 2174783242 ABZICZGLJZXOAV-GFCCVEGCSA-N 414.450 1.854 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1 2175163534 PFXIAXWNAOOZLE-IIDMSEBBSA-N 401.529 1.728 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@H]1CO 2178918126 CSHVPAQRRHQLLC-GJZGRUSLSA-N 401.529 1.608 30 10 HDEE C#CCN(CC(F)(F)F)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2180082338 IDRUZXQNRKWXSF-GFCCVEGCSA-N 412.430 1.435 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N=c1nc(CNC(=O)OC(C)(C)C)[nH]s1 2187515939 RBLCUWIJJKHCNP-UHFFFAOYSA-N 409.493 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@](C)(CN)CS(=O)(=O)C(C)(C)C)[C@@H](C#N)C1 2194937539 KTNODLMDKHBVET-KSSFIOAISA-N 402.561 1.362 30 10 HDEE O=C1NC(=O)N(CC#CBr)C(=O)[C@H]1c1ccc(Br)cc1 2198129376 YAMLVBGOOXFQQN-JTQLQIEISA-N 400.026 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243677251 TYOSSADGMXECIP-GFCCVEGCSA-N 407.276 1.205 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826492 VBZMOMOEJAIOPK-YJBOKZPZSA-N 410.327 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2C[C@@H]21 2247827021 DDSDNLSDKHOGJK-KBPBESRZSA-N 418.303 1.543 30 10 HDEE C[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247838943 POWTUEBUGLQJSN-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN2Cc2ccccc2)n1 2247844191 XVFINZGZJBAMLM-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE Cc1c(C(=O)N(CC(=O)O)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2248593438 NCLSDWYWVUFBGQ-UHFFFAOYSA-N 413.283 1.755 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267714730 ZTRVAHHBZNDUFT-APXPCNQMSA-N 407.388 1.483 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCS(C)(=O)=O)cc1Cl 2281815548 RSYGFVKMZNZCLC-UHFFFAOYSA-N 401.721 1.722 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H](S(C)(=O)=O)C3)ns2)OC1(C)C 2282011689 LTSNYLNOBQBTEE-NSHDSACASA-N 400.331 1.092 30 10 HDEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282014442 GYRPCGIRFZUTKN-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4[C@H](O)C[C@H]4C3)cc2Cl)OC1(C)C 2282306001 HFFOHBJQCDLQDR-HOSYDEDBSA-N 419.761 1.702 30 10 HDEE CC[C@H]1CCNC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339410 YDZXWZNYWXOKGS-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@@H](N)C3)ccc2Cl)OC1(C)C 2282491067 JZOXBHQNWZMALV-NEPJUHHUSA-N 400.737 1.797 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCC[C@@H]2O)OC1(C)C 2282499776 FTCOTFWJECNAHP-YPMHNXCESA-N 402.347 1.165 30 10 HDEE CNC[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834507 VUKCKENIXOEORI-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@](C)(CO)C2CC2)OC1(C)C 2282836436 KBSCUMFDLZQBDH-MRXNPFEDSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CC([C@H](F)CO)C3)s2)OC1(C)C 2282862600 FQVJFIQARSYOGK-HTAVTVPLSA-N 405.322 1.435 30 10 HDEE CO[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869282 ABTXODLBOKDXLC-XHDPSFHLSA-N 401.721 1.952 30 10 HDEE CC1(CO)CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282870300 PWYDSSZNCFABMD-UHFFFAOYSA-N 401.721 1.642 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)s2)OC1(C)C 2284393884 QSAGJOJKCWMGNZ-LLVKDONJSA-N 401.315 1.675 30 10 HDEE CC(C)CN(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284414725 JHWZDOTZLOSCKE-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE CC(C)N(CCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284416415 XTFMPLAPQJXHRF-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@]3(C)C(=O)O)c2)OC1(C)C 2284417059 GIICZHXYENEROL-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]([C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365171797 OIDSWSMRVQUBPK-PJIJBLCYSA-N 401.525 1.827 30 10 HDEE CN(CC1(O)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2365692466 ZRGXONXYIRGZDF-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367790918 ICZBIIGZLJJGMS-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CN(C[C@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O)C(=O)OC(C)(C)C 2367791541 YBNWCNAXUFWKEB-AWEZNQCLSA-N 403.497 1.684 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)COC[C@H](C)NC(=O)OC(C)(C)C 2367794471 HTOZLAWHARICNH-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCC1 2367813792 GVWYWGGMZILYGX-OAHLLOKOSA-N 400.541 1.437 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 2367821470 BUAHVUDAHPQHDS-QMTMVMCOSA-N 400.541 1.353 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369630340 AZFNFFZGLFCRGT-ZACQAIPSSA-N 401.525 1.494 30 10 HDEE CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 14012479 SIOUGUVKGOLMJJ-UHFFFAOYSA-N 421.504 1.174 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 46786006 UKCNUZFRTFAZNO-GOSISDBHSA-N 415.490 1.823 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)Cn1cncn1 97496309 CKYHLIYDZJSUGQ-LLVKDONJSA-N 408.256 1.895 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)cc1 116630940 MGGQHYXVTOLFFR-GOSISDBHSA-N 411.487 1.768 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2[C@@H]3C(=O)N(Cc4cccc(OC)c4)C[C@]34C=C[C@H]2O4)CC1 211900888 WNOQJISRGGKWFC-OOICKAIWSA-N 423.513 1.307 30 10 HDEE C[C@H](C(=O)N(CC(N)=O)Cc1ccc(OCc2ccccc2)cc1)n1cnc(C#N)n1 409505124 XKOGMHWHUCANIG-MRXNPFEDSA-N 418.457 1.804 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cn(C)nc2C(F)(F)F)c1 439179759 QLXXOASUGAQCKD-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE COc1ccc(C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 441152030 HCCDAEOJJKWDGD-UHFFFAOYSA-N 421.519 1.776 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 443732401 JGRPBNHWSNVJLM-SFHVURJKSA-N 405.451 1.350 30 10 HDEE COCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 447214512 WVBGFYDAMHFUEA-RIVXBTQJSA-N 405.520 1.889 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 464496361 GZFWMTZHZABEDQ-WBTXTPOCSA-N 424.611 1.501 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O 469826914 AAMAGPDWXAWTLJ-FRQCXROJSA-N 401.511 1.537 30 10 HDEE N#Cc1ccc(N2CCO[C@H](C(=O)C3CC3)C2)nc1N1CCO[C@H](C(=O)C2CC2)C1 480174412 AWQIRMZXERVJMO-ROUUACIJSA-N 410.474 1.322 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c1 483563595 REXJGOBNOWRBNA-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)NC4CC4)n(C4CC4)c3=O)cc2s1 491597383 UTOVQRSCHPYSIK-UHFFFAOYSA-N 422.535 1.945 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC(=O)N1C 502909008 KUDUEHGFAXTTFT-CVEARBPZSA-N 413.522 1.519 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)cc1 503454594 ODKIXEQAGOYUFU-GBDDHWOVSA-N 405.479 1.725 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cccc(OCC(N)=O)c2)cc1 503690038 MDUFOUFQCUZGGW-KRWDZBQOSA-N 410.455 1.576 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)nn1-c1cccc(C#N)c1 506572567 ORGNGWQXICMPNL-RDJZCZTQSA-N 401.492 1.500 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)CN(CC(=O)N[C@](C)(C#N)C(C)C)Cc1ccnn1C 507425621 VZYIEBSTCURMQM-NHCUHLMSSA-N 415.542 1.331 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 512659068 CPJYJHCVTPBGJN-PMACEKPBSA-N 405.506 1.865 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CC1 546177007 UAVMMGMYHCMTFS-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 554524170 UYBSZZLJSASJSV-KRWDZBQOSA-N 421.505 1.573 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 561888242 IPAMRKZQGAVWTL-UHFFFAOYSA-N 421.501 1.845 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1n1cccn1 566878615 ZECQICPGYUMQQS-ZHALLVOQSA-N 402.476 1.204 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)Cc1cn(C)nn1 567485122 QXFJSJHZWPRYAH-UHFFFAOYSA-N 408.514 1.793 30 10 HDEE C=CCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 579042548 RCGUUKARDXCXBG-UHFFFAOYSA-N 402.524 1.839 30 10 HDEE COC(=O)c1nn(CCS(=O)(=O)c2ccc(C#N)cn2)c(C)c1Br 583837634 USGDHAONYJGYIW-UHFFFAOYSA-N 413.253 1.481 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1Cl 609578452 RTVUBYAOKKXRBF-UHFFFAOYSA-N 410.927 1.434 30 10 HDEE Cc1c(F)cccc1-c1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C)c2=O)o1 609668763 ACEDWLMNOTYOAQ-UHFFFAOYSA-N 423.469 1.936 30 10 HDEE N#Cc1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)ccn1 610991254 HDCVRFYQLOIWIA-UHFFFAOYSA-N 400.489 1.464 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@](C)(CO)COC 613534726 SDQHNFYJMAMDNM-INIZCTEOSA-N 401.257 1.612 30 10 HDEE NC(=O)[C@@H]1c2ccccc2CCN1CC#CCN1CCc2ccccc2[C@H]1C(N)=O 671242144 SNZGNCIATBERBY-VXKWHMMOSA-N 402.498 1.159 30 10 HDEE CCCN[C@@H](CC#CCOC)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 725054729 VWAHBPGHWSTOJO-DLBZAZTESA-N 402.557 1.819 30 10 HDEE C#CCN(C(=O)CCCNC(=O)c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 729330913 HPQAFXPPDCWRRD-MRXNPFEDSA-N 406.504 1.244 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCN(CC(F)(F)F)C3=O)cc2C1=O 732783000 CSZINOXAIALESG-CQSZACIVSA-N 409.364 1.704 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@H](C#N)c2ccc(Br)cc2)c(=O)n(C)c1=O 733254536 XSTLANYJDWGODV-LHRNQBEKSA-N 403.236 1.241 30 10 HDEE COC(=O)C1=C(COC(=O)c2ccc(C#N)nc2)N(C)C(=O)N[C@H]1c1ccccc1 734600280 YUPPEPKWPZDEKF-SFHVURJKSA-N 406.398 1.933 30 10 HDEE N#Cc1ccc(OCCNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1 741971054 DJLYJXJSZYXKKF-QFIPXVFZSA-N 404.426 1.447 30 10 HDEE C[C@H](CC(=O)NC[C@H]1COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 742475242 ZVPIKCKMIRGURF-KGLIPLIRSA-N 415.471 1.460 30 10 HDEE COc1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746964610 GOTSUXQLMVHQTK-UHFFFAOYSA-N 416.455 1.945 30 10 HDEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)c(OC)c1 750758028 HZQZLTLEEIUGMR-UHFFFAOYSA-N 407.404 1.611 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NCc2ccc(OC)c(C#N)c2)cn1 753180798 XRTWBZDAVBEUHW-JYRCXFKTSA-N 401.492 1.798 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760404352 RCEJIPQLNGGFGL-UHFFFAOYSA-N 403.501 1.448 30 10 HDEE CN(C)CCn1ncc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1-c1ccccc1 764503808 CTVBMBITLIRVIP-QOCHGBHMSA-N 422.489 1.368 30 10 HDEE COc1cc(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1C 765254339 WURIOZAPMUHMON-RCCKNPSSSA-N 406.468 1.886 30 10 HDEE C#CCN(C(=O)NCCc1ccccc1OC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774248990 FZKRRVYWVPGSDV-CQSZACIVSA-N 404.410 1.960 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC)C(=O)O 776588174 NMTLABHNNZOLDZ-LJTDUEICSA-N 411.432 1.035 30 10 HDEE C#CCN(C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 776899460 GBTBBUBDFCPPRV-XLIONFOSSA-N 422.478 1.386 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 780293129 RHCKKFHFCYFSRT-GASCZTMLSA-N 414.487 1.827 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780936046 AIKLVMHAYZZQIE-SFHVURJKSA-N 402.476 1.547 30 10 HDEE Cn1cc(-c2csc(=Nc3ccccc3C#N)n2CCN2CCNC(=O)C2)cn1 781114057 SHTDXHNFGRPYMH-UHFFFAOYSA-N 407.503 1.486 30 10 HDEE CC(Cc1ccn(C(C)C)n1)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 782901092 ILOVKCQQFDGBJL-UHFFFAOYSA-N 419.555 1.826 30 10 HDEE CCCC(=O)N1CCC[C@@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787050753 FCNSLUMITHSODM-WBVHZDCISA-N 400.435 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)C(C)(C)C)CC2)n1 788858529 LHCXTEXOTHHNIS-UHFFFAOYSA-N 403.527 1.711 30 10 HDEE CN(C(=O)C(=O)Nc1ccc(F)cc1OCC#N)C1CCN(c2cnccn2)CC1 789810917 QHFRXFMCVBCCKH-UHFFFAOYSA-N 412.425 1.584 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)n1 790104445 BAZWZYRCRYANKJ-QGZVFWFLSA-N 406.552 1.829 30 10 HDEE COC(=O)C1=C(COC(=O)[C@H](C)n2cnc(C#N)n2)N(C)C(=O)N[C@H]1c1ccccc1 798745273 QNOYHSLJBPVCSC-SJCJKPOMSA-N 424.417 1.077 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCS(=O)(=O)CCc2ccccc2)cn1 800559883 DBWHZNYJZQEPRB-UHFFFAOYSA-N 424.486 1.918 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)ccc1F 803233574 ASWBPMSMROHXCH-AWEZNQCLSA-N 419.482 1.682 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807248016 ICGHPGPAMSQDMB-CYBMUJFWSA-N 419.528 1.794 30 10 HDEE COc1cc(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1C#N 811894462 YMFRNPLUMPNRJH-UHFFFAOYSA-N 420.413 1.680 30 10 HDEE COc1cccc2cc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)oc12 917356444 YVHORFLRWLWLFP-OAHLLOKOSA-N 407.451 1.870 30 10 HDEE COc1cc(C=NNc2nc(SCCC(=O)N(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1083969248 NCMOEWIXYZYNMB-UHFFFAOYSA-N 409.428 1.444 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)COc2cccc(Br)c2C#N)CC1 1131293390 SLHIVXODIINQHN-UHFFFAOYSA-N 401.282 1.783 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1OC 1135086489 WWOYNWTYZPHOLX-RDIIQDETSA-N 403.431 1.694 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)C(=O)NCC1CCCCC1)c1cc[nH]n1 1137383301 VHYGMSFBGQLBOW-UHFFFAOYSA-N 421.498 1.285 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C2CCC(NC(C)=O)CC2)s1 1138169271 ZUDOIHCTUXVKML-UHFFFAOYSA-N 413.565 1.661 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1139102158 JBGLWVBSXXMURV-UHFFFAOYSA-N 410.459 1.074 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 1140097951 YYDWYMLYOLLUIF-GJZGRUSLSA-N 413.540 1.951 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2oc(CNC(=O)OC(C)(C)C)cc2C)CC1 1140133382 YUPZYVJUILJKCV-UHFFFAOYSA-N 418.494 1.120 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1 1151151623 PRAYZQRZFIQVSV-UONOGXRCSA-N 405.499 1.782 30 10 HDEE CC(=O)C1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1154304218 JFBUCNROHJHZAS-KRWDZBQOSA-N 405.520 1.967 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N[C@@H]1CCCN(O)C1=O 1159642507 XKTJBFKCDVCIKO-CQSZACIVSA-N 417.466 1.557 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C)N(CCO)C[C@H]3C)ccc2c1=O 1162248502 KCLVMVLRKASJRK-UONOGXRCSA-N 402.520 1.398 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1164495656 USVSAMPYRUDFEL-KRWDZBQOSA-N 406.368 1.467 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nnnn1C1CC1 1171949152 BKLGRVZXQFRHGS-JTQLQIEISA-N 416.283 1.956 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3ccc(C#N)cc3c2C)CC1 1175514759 HSNAWKYDVSRZQL-UHFFFAOYSA-N 402.501 1.307 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(CC(=O)OCC)cs2)c1 1177635165 YEXIHOSYGSTSGP-UHFFFAOYSA-N 423.516 1.643 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1196980647 FHTYDCQBIZABIK-MRXNPFEDSA-N 415.490 1.446 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(SC(F)(F)F)cc2)c(=O)nc1O 1213159144 GWRWCLQWONHNTD-UHFFFAOYSA-N 420.394 1.411 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H](Cc3cccnc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1235683006 CNZXTAQJMKJCIS-NSHGMRRFSA-N 402.520 1.763 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCCc2nc(C#N)ccc21 1277876714 GUESHQUCOGTGEA-UHFFFAOYSA-N 403.446 1.624 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286311885 NLKPIUTZKACXGS-UTKZUKDTSA-N 401.511 1.702 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286335482 QLSNIQHKYVXUTM-UWJYYQICSA-N 403.527 1.824 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286347251 JAJSZYOUHZWZPI-JYJNAYRXSA-N 416.526 1.992 30 10 HDEE C#CCCCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1286357607 LPTWDEJMPMHBLD-GPMSIDNRSA-N 412.556 1.601 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286393980 SLIVKMHOFNJIHY-UZLBHIALSA-N 418.519 1.358 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1286448213 XXAWHLBVOMENQW-UHFFFAOYSA-N 412.519 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[S@](=O)CC)CC1 1286490391 SVKMMEDEGALANS-GDLZYMKVSA-N 414.535 1.075 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CC(F)(F)CO2)CC1 1286492179 DJXKWGAFNUHXQE-JKSUJKDBSA-N 423.464 1.172 30 10 HDEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1286616743 CCRAPKKZAKXVDC-RTBURBONSA-N 411.506 1.837 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC)C1 1286818956 UXBGYCRXCMJNQX-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OCc3ccccn3)cc2)CC1 1292889681 KPKZGOVMFJROED-UHFFFAOYSA-N 406.486 1.558 30 10 HDEE C=CCN1CCC(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1293033970 RXVRFOBVBXHSNX-MRXNPFEDSA-N 415.556 1.177 30 10 HDEE CCN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1295133194 VHPNSBSJJUWTQX-FBMGVBCBSA-N 413.482 1.029 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300485711 YLLRXTMEMNSMSC-KRWDZBQOSA-N 418.519 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1300541522 WKWOYALLIISPQE-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300663922 JDUPIFNVSUVGOF-OALUTQOASA-N 414.554 1.869 30 10 HDEE C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@H](C)COC 1300717853 QKWCPRUTPYJBRF-OAHLLOKOSA-N 422.551 1.806 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(N)=O)C1 1300862726 CWRIQIGCHOUZND-AGIUHOORSA-N 414.304 1.222 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1300971859 BOBAGURQQSVAFS-MRXNPFEDSA-N 401.515 1.736 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)CC1 1301085558 NRENEYAUVYSUFX-CQSZACIVSA-N 423.564 1.988 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCCO2)CC1 1301086758 OVYRPLOEFVZLDB-QZTJIDSGSA-N 424.567 1.922 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CCOC)CC1 1301127172 ZVUGYBHFOSBPSG-QGZVFWFLSA-N 411.572 1.161 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1301610047 SHYDZRCIFHFUJY-UHFFFAOYSA-N 413.551 1.895 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)C1 1301686116 DKVCKHKTMOJODC-WBVHZDCISA-N 401.515 1.397 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301958478 BZCYRICIXXFLBS-AEFFLSMTSA-N 412.542 1.812 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1302286423 ICQSYNDSBWSRRF-AYMQEEERSA-N 415.416 1.868 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)CC1 1302878717 PIIILENNQGMANJ-WMZOPIPTSA-N 405.495 1.143 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](Cn3ccnn3)C2)cc1 1310130713 HPNGYVCQMQOMJA-HNNXBMFYSA-N 404.496 1.639 30 10 HDEE C=C(Br)CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1311757513 RELVHZFFEOOTPD-NSHDSACASA-N 417.304 1.414 30 10 HDEE CC(C)(CCC#N)CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1312815795 MXVDWFKOACXWGQ-CQSZACIVSA-N 407.515 1.836 30 10 HDEE C#CCN(C(=O)NC[C@@](C)(COCc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1312990903 NSSGYBIBAFMZQA-QUCCMNQESA-N 408.520 1.440 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1315817980 YBXMGTVNVWYEMT-ZWKOTPCHSA-N 400.458 1.906 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1316285418 OTUROYUQSJWMBT-PPIVIMPPSA-N 411.503 1.355 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1354813798 YANBROHKAVFTTF-HXUWFJFHSA-N 416.522 1.435 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H](O)C1 1358974288 YAZJBNAPGVREGN-FXAWDEMLSA-N 416.489 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)CC 1358995002 BDBSVUSHIPTVAI-UHFFFAOYSA-N 414.531 1.775 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1CCCO 1359005534 MCAVSWWBCDJUMW-GOSISDBHSA-N 411.506 1.980 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(OC)C2CC2)CC1 1359038084 KERMZVDUPCJUJY-JOCHJYFZSA-N 411.554 1.710 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1359056861 MUVVZFCUNCVMRR-HNNXBMFYSA-N 400.570 1.409 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC(C)C 1359067532 RYHVJFNHKXCQLH-OAQYLSRUSA-N 419.493 1.438 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359219218 JPKCLQQMVDZFAH-IBGZPJMESA-N 415.586 1.583 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCN(C)C)CC1 1359240570 RTSCSONVSKAJBE-SFHVURJKSA-N 424.615 1.076 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nnn(C)n2)C1 1359324883 UCGDYKUHYLUWTK-QGZVFWFLSA-N 410.482 1.519 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1359470766 FKHDTOQTAIOWAY-HNNXBMFYSA-N 422.493 1.800 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1359474932 YYSXWEUSCPNKCC-IXDOHACOSA-N 422.555 1.563 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1360347871 OOPPIKIKMBKILQ-UZLBHIALSA-N 407.515 1.863 30 10 HDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccnn1C 1437063346 BUAKKIDGDNSZRM-MRXNPFEDSA-N 404.448 1.142 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1447480895 HAMLQXUALNNVLN-RDBSUJKOSA-N 412.487 1.401 30 10 HDEE O=C(NCC#CCO)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl 1448445195 ZHHNSJZJLJKXPB-UHFFFAOYSA-N 418.902 1.813 30 10 HDEE O=C(CCOc1ccccc1I)N[C@@H]1CCCN(O)C1=O 1450265307 ATMSRPYBGMQEBI-LLVKDONJSA-N 404.204 1.557 30 10 HDEE COC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1453324608 UDTZKUUGIQMEEI-MRXNPFEDSA-N 409.508 1.063 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](CC(F)(F)F)C1 1453877183 HNSINRKDSLITME-NSHDSACASA-N 405.398 1.295 30 10 HDEE CN(C)CCC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCO1 1461854917 ZMZSOTWJZUVYAE-SFHVURJKSA-N 407.536 1.947 30 10 HDEE CCOC(=O)[C@@H](NS(=O)(=O)N(CC)CCC#N)[C@H](O)c1ccc(Cl)cc1 1464107983 DQNQSVOLWGMGLR-LSDHHAIUSA-N 403.888 1.375 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1465317726 MYGMXEPNJUTRFG-CQSZACIVSA-N 401.460 1.295 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](CC#CC)NC(=O)OC(C)(C)C)n1 1467715575 JZXSWWRDMMIYIW-GOSISDBHSA-N 402.495 1.798 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)N1CCCO1 1469454689 STPVORHNCBBCGU-UHFFFAOYSA-N 412.240 1.378 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)cc1 1471420977 FXAOVSKINOADBO-UHFFFAOYSA-N 406.485 1.562 30 10 HDEE N#C[C@]12CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1472191353 CBGAJLMVRZCBIJ-SGIREYDYSA-N 403.287 1.814 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccc(C#N)nc3)CC2)CC1 1473775512 SPRXVZBAXJRSLT-DHHCDUQHSA-N 416.522 1.311 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 1475477307 SEHMTWAYMZJWGR-UHFFFAOYSA-N 403.932 1.837 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1496226139 GTFDPORXNNHHPQ-QAPCUYQASA-N 412.494 1.987 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503553865 UDANYFRPKDNTPT-MEUCICPISA-N 414.510 1.935 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1504526033 DKSFPPORZCJMNL-JJRVBVJISA-N 416.482 1.796 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CSCCS2)C1 1505311605 BOVQCSOUEIQHAK-GUYCJALGSA-N 410.544 1.805 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1507512004 BNBQCFDUNQMPAQ-MRXNPFEDSA-N 415.519 1.446 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1507521155 VUINKOKHSOFNLN-PIGZYNQJSA-N 405.300 1.972 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1507564710 VPMVIWMTLOJKPQ-MRXNPFEDSA-N 416.551 1.886 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(CC(C)C)CCO1 1507693481 BULNCBQBBCGGIL-GOSISDBHSA-N 402.543 1.217 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCCN2CC)CC1 1507727716 SLQUODNQQGKAKZ-OAQYLSRUSA-N 424.597 1.769 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1507751633 QHYXVYHQSFCMNL-JKSUJKDBSA-N 412.581 1.409 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1508079653 BSJKQMZUFSVQOF-OAHLLOKOSA-N 413.507 1.918 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)COC)C1 1508113889 BGPIWYBTPZVYMX-VQIMIIECSA-N 424.509 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)CCC(=O)NC 1508136186 PZTYCRPKXZKUOZ-UHFFFAOYSA-N 405.524 1.427 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1=O 1515787043 BHCJSWUOJKWRBS-HOCLYGCPSA-N 418.523 1.006 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)nn1 1529265229 SNCCCSKKQOAZSC-UHFFFAOYSA-N 413.478 1.650 30 10 HDEE COC(=O)[C@H](c1ccc(Br)s1)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 1532536952 OLLCCAFJDCKHDO-UFBFGSQYSA-N 412.269 1.907 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cc1 1538844503 QMXMGQDMKLXRGL-LJQANCHMSA-N 407.492 1.237 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539223982 AVYPZSFNGSFFMG-SJORKVTESA-N 412.531 1.622 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2c(C)noc2C)CC1 1539430968 QCURRQFEHBUKRV-GOSISDBHSA-N 416.526 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2nccs2)CC1 1539484179 FWLKOPQZYZTEPX-UHFFFAOYSA-N 421.530 1.735 30 10 HDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1540005158 JWRGSBSKDJUFLI-QGZVFWFLSA-N 421.523 1.742 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C 1540920022 LNLCMBSNCJHQQE-OAHLLOKOSA-N 416.555 1.790 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1 1541080170 CVXVYUUDXXXPCS-RELWKKBWSA-N 412.475 1.883 30 10 HDEE C[C@@]1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCNC1=O 1543137652 NGXSKBBGEKIICJ-CRAIPNDOSA-N 405.296 1.684 30 10 HDEE CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1543691214 DTWDMEDXDAUBPX-HOCLYGCPSA-N 402.882 1.939 30 10 HDEE CNC(=O)C1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCCC1 1544891804 FAVFIMNHZIQLPT-UHFFFAOYSA-N 405.296 1.932 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1546071573 HPBJJUVGWBDADE-GOSISDBHSA-N 415.512 1.249 30 10 HDEE CCSCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1552618581 LSSKESKZRHODNT-ZDUSSCGKSA-N 404.496 1.878 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C1 1554531423 FVBVBPPUZQVUBH-LPHOPBHVSA-N 424.505 1.537 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1555322906 UGQHJCYFFCIZAU-UHFFFAOYSA-N 420.477 1.688 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1555361500 ADDMMVQSCOLDPX-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)CC1 1555989764 FCPGQHVASHNQTF-CQSZACIVSA-N 417.482 1.592 30 10 HDEE CN(C[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1558134506 YXQGOMIFANIEQJ-OAHLLOKOSA-N 419.482 1.459 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 1558330109 YHGFYDBTDWZRPO-OALUTQOASA-N 415.490 1.448 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@H]1CCCN(CC#N)C1 1558940478 XGKPMNATOCRVJE-KURKYZTESA-N 421.586 1.564 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1560060090 FNQBPUMIRVAYKZ-APWZRJJASA-N 412.408 1.826 30 10 HDEE C#CCN(C(=O)NCCCc1cc(OC)c(O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1565143305 HEOKGTIQBKCVRS-HNNXBMFYSA-N 410.492 1.174 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)cc1F 1567952179 VAYIDDKUCZIPME-INIZCTEOSA-N 404.348 1.266 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1570227644 NUUMFGZYCIMMDZ-CZUORRHYSA-N 421.291 1.777 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)c1 1583482011 ZIAMYUMSJKJBEC-MRXNPFEDSA-N 419.425 1.292 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 1583526587 NNDFRNGLUVYHOS-OAHLLOKOSA-N 424.475 1.105 30 10 HDEE Cc1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1Br 1585138575 JWPMJIYWELKWOA-BONVTDFDSA-N 401.257 1.907 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1587878770 GQFYPQYVKDBLRP-UHFFFAOYSA-N 411.510 1.433 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1587922234 WOKCYYIZPCTAOH-FQEVSTJZSA-N 407.515 1.867 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1587946337 YIZNUQDRVJUKOZ-ZZEZOPTASA-N 406.446 1.550 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)c1 1588018832 YSTFIJXCNLSXBB-VQTJNVASSA-N 404.532 1.591 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588035058 OWZWSQOYWGVTKL-FXAWDEMLSA-N 424.567 1.746 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588054294 MZLKWVMWLIHEMJ-OAHLLOKOSA-N 420.564 1.771 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588055016 RMJJHYABRUPPIN-SJORKVTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC1CCOCC1 1588180744 JPIZSFDLKMSHRA-KRWDZBQOSA-N 421.567 1.558 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCC(=O)NC2CC2)CC1 1588947088 LBRVSAMLYBJRIY-UHFFFAOYSA-N 414.554 1.501 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CCS(=O)(=O)CC 1589053871 WQVXGKMOXOJTLP-UHFFFAOYSA-N 407.565 1.886 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595500645 AEXPVTOTJMONBG-WBVHZDCISA-N 414.510 1.306 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595556092 NKRFNTQVXMHXKP-OAQYLSRUSA-N 414.485 1.273 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC=C(C)C2)nnc1[C@]1(OCC)CCOC1 1595831505 RBOBCYOGYJCMKW-IBGZPJMESA-N 410.540 1.687 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1596951244 GDZXYKICGKGBAH-INIZCTEOSA-N 409.494 1.291 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC12CCN(C)CC2 1607351802 BSIPVXBUENBMNO-QGZVFWFLSA-N 418.563 1.837 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1608399383 AQYABVXJXFZDED-RYGJVYDSSA-N 420.489 1.586 30 10 HDEE Cc1nnsc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1611875677 BDNVYPTUTMYXIL-WBMJQRKESA-N 424.556 1.227 30 10 HDEE CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O 1616151236 CYHDANDCUQMWGN-SYAJIYQZSA-N 423.473 1.102 30 10 HDEE CC(C)(C)n1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)n1 1616335785 ISKNAZPLOJZHJK-ZUZCIYMTSA-N 415.313 1.411 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)c1 1620350037 ZWBUSZYVSXHWSO-GOSISDBHSA-N 417.429 1.455 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H]2CCOC2)c1 1620350042 ZZJNLNHMXVYSSG-HNNXBMFYSA-N 401.492 1.478 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)n(-c2ccccc2)c1C 1620526656 PPQMDVCKONXNFD-CTNGQTDRSA-N 421.501 1.884 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1624617087 NWIZQZQYTNCIAE-GOSISDBHSA-N 420.554 1.450 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 1626312944 DRBFHOIXIUSPHT-CLOOOTJHSA-N 404.438 1.668 30 10 HDEE C[S@@](=O)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1627126094 CUUGNZKUGUAYOT-AREMUKBSSA-N 408.476 1.931 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c1 1627348610 JSGIBMWHOSFGTR-UHFFFAOYSA-N 412.427 1.154 30 10 HDEE CN(C)CCn1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 1627769254 BNWCVZHEHHBNQD-UHFFFAOYSA-N 403.490 1.827 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 1632624173 OEDSAAVQDCAMEZ-MJGOQNOKSA-N 422.570 1.456 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ncc[nH]2)c2cncc(C)c2)c1 1632856714 JJLMBEGZIUCEAL-UHFFFAOYSA-N 409.471 1.872 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1636839255 XUCVNWUICZMRCN-MCFFVMPBSA-N 422.481 1.775 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)CC1 1638182492 SLDMSAUQAJCCGL-INIZCTEOSA-N 402.499 1.631 30 10 HDEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1640916051 ISEKPQHRNZNQOO-WOJBJXKFSA-N 408.437 1.968 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1)C(=O)OC 1642414899 HETYILXIMCHBIC-INIZCTEOSA-N 406.485 1.521 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc(C4CCC4)no3)CC2)C1=O 1642863002 DOZUOIFSDMLTHP-UHFFFAOYSA-N 401.423 1.020 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)C2)C1 1643563081 YTGTXIRIRJEXBW-QNOZYLDQSA-N 416.522 1.900 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 1645270295 GROMTTOEHZVTIU-OAHLLOKOSA-N 409.939 1.952 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)CCc2nc(O)c(C)c(O)n2)ccc1F 1646842009 NUJBLQSHCPMBDJ-UHFFFAOYSA-N 424.454 1.114 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1648619429 KHRGMYMUWGHKQB-KUHUBIRLSA-N 414.487 1.992 30 10 HDEE C#CCN1CCN(C(=O)CSCCN2CCN(c3cccc(OC)c3)CC2)CC1 1652202867 FVCOUIDDSIUHRM-UHFFFAOYSA-N 416.591 1.328 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1654374501 DBXYEPDTPBGVBC-GOSISDBHSA-N 416.588 1.042 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCC(C)CC2)c(C(=O)NCC#CCO)c1 1654566544 SJKFDCJFIOORBH-UHFFFAOYSA-N 421.563 1.679 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1655108854 FWOCZTMKTZIPKZ-GOSISDBHSA-N 419.547 1.910 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 1655973905 USLQWQQCEQHPKL-HSZRJFAPSA-N 417.421 1.762 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2OC)cc1 1658659435 ZENUHVNKDRUSIR-DLBZAZTESA-N 407.492 1.434 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC(c2nnc(N)o2)CC1 1670840557 DEGQZJUZERPGCT-UHFFFAOYSA-N 412.269 1.854 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCCC2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1675666010 QUTFITYMRAHXEQ-IYWGDAJJSA-N 401.551 1.759 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN4CCSC[C@@H]34)C2=O)cc1 1682021218 BVTCAJFSJRNJNV-FHWLQOOXSA-N 413.547 1.538 30 10 HDEE N#C[C@H]1CN(C(=O)NCC[S@](=O)CC(F)(F)F)CCN1Cc1ccccc1 1683793892 ZPCUYDACTRNSJE-QZXCRCNTSA-N 402.442 1.717 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC2(CCOCC2)CO1 1684668088 ZGABVIJGLLTWNK-CVEARBPZSA-N 400.483 1.154 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCN(c2cccc(OCc3ccccc3)c2)CC1 1686402957 LPPAADDJUOGHIX-UHFFFAOYSA-N 407.474 1.737 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1 1686921699 QUBPTFBZHNSEDL-YSVLISHTSA-N 422.304 1.703 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1689875663 YZRSYKBNKHFHLX-GJZGRUSLSA-N 420.543 1.162 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1689882992 STRIJIINLTWFCT-UHFFFAOYSA-N 419.507 1.463 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccc(OC)cc1 1689966565 VNUJPHRRYZRIOW-QGZVFWFLSA-N 402.520 1.891 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689998149 CRCURRUPGHRIBR-RCCFBDPRSA-N 423.583 1.487 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1690104186 PAPRFLIZLQTNBJ-OAQYLSRUSA-N 423.561 1.967 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCN2CCCO)CC1 1690119885 WTNXOLXJHHZIGM-NRFANRHFSA-N 422.577 1.856 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1690198070 AVXGHJOYSLBIPL-GOSISDBHSA-N 422.942 1.877 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)CC1 1690308381 MGVBPWQHBNHMQE-UHFFFAOYSA-N 410.526 1.936 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690308577 SHVWFMFKZAJNJZ-UHFFFAOYSA-N 422.493 1.520 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1690342285 HUKRADDDQQWMRC-UHFFFAOYSA-N 408.890 1.527 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cncn2)C1 1690688579 XTQHHROLPOGPGL-APWZRJJASA-N 403.487 1.003 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1690690286 VSBFZFPXLWZVJY-KRWDZBQOSA-N 416.507 1.147 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1692674676 XTEWKCPVXLEGJV-BBRMVZONSA-N 409.494 1.432 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)O1 1694425837 DKWZSHYIDOUSJZ-BASYENTBSA-N 412.560 1.974 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC[C@@H]1C 1697679056 VNIXZTHGARFPPJ-LPHOPBHVSA-N 424.505 1.537 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(F)(F)CC1 1698521036 YNABFFBDGKSDBA-SXXBIRCQSA-N 422.436 1.544 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1705491058 XAZBUXLZIKWPPF-CVEARBPZSA-N 422.489 1.455 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1705522821 NGWMLUPJSWNRHP-UHFFFAOYSA-N 400.527 1.669 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CC1(C(N)=O)CCOCC1 1705550462 JSPZSPVOGXMDRF-UHFFFAOYSA-N 406.490 1.788 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(NC(C)=O)cc1 1705579706 PZHFMQGSONEGMI-UHFFFAOYSA-N 401.474 1.953 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1705610720 APZFPOPYQPCTEL-UHFFFAOYSA-N 404.540 1.860 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1705641446 GDOWIAHDTPMIDQ-IBGZPJMESA-N 419.595 1.733 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1705734893 DRBYLYHBNAATSL-GOSISDBHSA-N 413.526 1.881 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1705901612 QLCGDVOBLQZDBG-AWEZNQCLSA-N 401.471 1.542 30 10 HDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)cnn1C 1707022528 CCCRRLCWCIVEOW-OAQYLSRUSA-N 404.478 1.609 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722369138 YUECJTQSGCBTCD-KRWDZBQOSA-N 404.540 1.390 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCN(C)C(C)C)CC1 1722449015 KULZKSRZLUZXRO-UHFFFAOYSA-N 423.565 1.570 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC1CCN(CC)CC1 1722449340 URHLJHOYMPHVGV-GOSISDBHSA-N 402.543 1.437 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722459525 LXDYUKJZFCJOOC-HUUCEWRRSA-N 404.496 1.418 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722557725 ZRFYNWKCLVKWFB-UONOGXRCSA-N 403.936 1.443 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1722730506 UZKFAXNIFFNNEN-CALCHBBNSA-N 418.567 1.833 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1722732903 SAUGTEFRZIOZFX-IHRRRGAJSA-N 403.574 1.421 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](COC)C1 1722737181 WHLXQHKOVLPUCK-DLBZAZTESA-N 412.556 1.983 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(C)=O 1730324807 CGHCTCKCDBGRLK-MRXNPFEDSA-N 414.466 1.121 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1)OC 1730466033 JQGUVYVKTLBWPI-VBKZILBWSA-N 416.482 1.797 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)nc2)CCO1 1731187765 XXYSUYANHNZHER-CQSZACIVSA-N 401.858 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1740629626 UKURDBPFVJSVJM-FQEVSTJZSA-N 400.552 1.024 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC#C)CC1 1740723728 SZLGSHDIDGACPM-ROUUACIJSA-N 403.552 1.124 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1740767794 ZHEOZTDJVMWGDH-JKSUJKDBSA-N 410.588 1.775 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1740784267 QBAFCBXHOOEDCW-UHFFFAOYSA-N 409.494 1.388 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740867279 DCUHTJUBTNTUFY-QGZVFWFLSA-N 417.558 1.965 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740962332 ASCJHGAYQVZFAP-QGZVFWFLSA-N 411.535 1.409 30 10 HDEE CCCN(CC)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1745600757 NRMGPHVLRLHUBL-KIJUOZEOSA-N 402.499 1.935 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1747997621 QQQZPTILGKEFFN-LJQANCHMSA-N 419.507 1.103 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1748684995 SJHPMYYUZFATFF-IBGZPJMESA-N 412.586 1.625 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1748798125 BPGOSKYOQGYGAU-INIZCTEOSA-N 416.551 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)CC1CC1 1748896515 DMDAJFSKJVYKIY-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748907267 INQSLEBBFZODIB-NQIIRXRSSA-N 416.547 1.829 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cnnn1C 1748950693 PDDCMNPKBFBHMU-OAHLLOKOSA-N 413.457 1.820 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ncnn1C(C)(C)C 1748962673 NUAAAPHQSRPYMA-MRXNPFEDSA-N 401.515 1.653 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC(C(C)(C)C)C2)CC1 1748972404 HZSUXVMZUPZVHL-GTPINHCMSA-N 422.599 1.641 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCCC2)CC1 1748991190 SESRZARGVGGINF-LJQANCHMSA-N 413.570 1.249 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1749275554 GJXCLBMEMWIBDQ-UHFFFAOYSA-N 406.918 1.648 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1749559869 AJEJQRYGOYRZKV-IBGZPJMESA-N 400.508 1.972 30 10 HDEE C=CCSCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749763584 CPEWTDCVNUEWPU-HNAYVOBHSA-N 409.556 1.550 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C[C@H]1OC 1750186973 KOJMYDSIPROQLS-IYBDPMFKSA-N 407.421 1.948 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CC1 1750217722 FQVPCTLOPYFWBL-SONOPUAISA-N 412.519 1.430 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cs1 1751765706 FWNOFMINLGPMPL-ZDUSSCGKSA-N 417.539 1.654 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760187917 LWHLBNUCZSCAPU-KURKYZTESA-N 422.551 1.573 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760188226 NUAMFASOQIEBGE-XMTFNYHQSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1760188582 PJVMAVWDCYMXOS-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760189865 QNSMKWZXQJCHDT-ZFWWWQNUSA-N 408.553 1.057 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCCC1 1760193298 CSDYQJKDNWXBRB-UHFFFAOYSA-N 405.506 1.873 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H]1C(=C)C 1760194089 ZDVLOJLCSKVYFG-HKUYNNGSSA-N 404.474 1.979 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCn2cncn2)CC1 1760264617 UTSUQBZUALTQMW-UHFFFAOYSA-N 420.521 1.466 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCCC 1760292009 MAYVVACYEILSMX-OAQYLSRUSA-N 419.493 1.439 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(C)(=O)=O 1760336097 UWIHSBPLZSVIAO-GOEBONIOSA-N 406.512 1.197 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760407614 JBVCLVCDEDLXOC-OAHLLOKOSA-N 411.572 1.986 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 1760509967 XQMAWBYPSDGBLV-OAHLLOKOSA-N 412.498 1.239 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760528982 SKMRUUAYARBTSP-OAQYLSRUSA-N 416.526 1.751 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760569138 DZSCUHSSLSHASG-LJQANCHMSA-N 422.555 1.548 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770753113 BRURSFGMRVYYKW-JKSUJKDBSA-N 415.498 1.638 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1770989025 YKZYIPKQXJRUSL-ZCLUNYJNSA-N 421.542 1.920 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1771272290 HHTZGIRADXLPSQ-RBUKOAKNSA-N 424.505 1.537 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1771273163 HAINZQMSEFMKPM-KRWDZBQOSA-N 412.450 1.121 30 10 HDEE COCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1771275999 POVNSCPPDGLVPP-CQSZACIVSA-N 407.421 1.539 30 10 HDEE C=CCN(C(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)[C@H]1CCN(C)C1=O 1849230336 TUSPWUWVCSEDFH-CJNGLKHVSA-N 402.520 1.404 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CN(C)C(=O)N1 1849855360 RFOYZXPZRJYVOU-MSOLQXFVSA-N 403.479 1.062 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)C2 1852304580 SZKMKNOCJDWTFG-QGZVFWFLSA-N 413.430 1.966 30 10 HDEE CN1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)c2C#N)C1 1852530535 RZUGORAZSYFBCL-JKSUJKDBSA-N 414.531 1.987 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)[C@H]1CCN(C)C1=O 1852959851 KHZPDKRIXMSTOP-IRXDYDNUSA-N 411.499 1.374 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1853729489 QQGDUNUURPDFCJ-CVEARBPZSA-N 401.463 1.114 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2cnc(C)s2)C1=O 1854303142 VKZVOXXQVPMXQU-IRXDYDNUSA-N 404.536 1.620 30 10 HDEE C[C@@H]1CCN(C)c2c(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)cccc21 1854607639 IMUNUQVDYNSZBP-ZIAGYGMSSA-N 404.492 1.156 30 10 HDEE CC(=O)N1CCC[C@H](CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)C1 1854721901 BFJDBHDDSVQGQF-LAUBAEHRSA-N 410.518 1.809 30 10 HDEE CCc1nccn1CCC(=O)N1CCN([C@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854997986 KSGMRPDDPGRFDB-ROUUACIJSA-N 400.527 1.273 30 10 HDEE CN(CCc1ccncc1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1855826917 QVJBZYFFUONCPK-UHFFFAOYSA-N 412.471 1.664 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2=O)CC1 1856571987 MTWMOVLHMAWTRH-IBGZPJMESA-N 413.522 1.877 30 10 HDEE Cc1nnc([C@@H]2CCCN(C[C@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)o1 1856867434 UDTAFBQLNSMUDD-NVXWUHKLSA-N 408.462 1.903 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)C1 1857017423 VYTURFOEWTXUSR-SJORKVTESA-N 409.490 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(CCCC#N)C(C)(C)C2=O)C1 1857079458 XIHWKJGSHAQBCU-OAHLLOKOSA-N 408.499 1.375 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nnnn1-c1ccccc1 1857149287 QZQXUOHPGKKITI-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE CN(Cc1cnn(C)c1)[C@H]1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1857220918 ANQYMTQREGGLHX-VQTJNVASSA-N 406.490 1.239 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857357241 XTCCAVXBFPGCAU-DLBZAZTESA-N 404.511 1.997 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)CC1 1858111239 JWBRACNCNLYCHG-AWEZNQCLSA-N 408.480 1.237 30 10 HDEE COC(=O)c1cccc2c1c(/C=N/n1c(S)nnc(CCC(=O)O)c1=O)cn2C 1873497913 FIZBXVJHKNIACC-UFWORHAWSA-N 415.431 1.105 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)ccc3F)CC2)CC1 1889325514 YUEDGGLNVSMNNA-UHFFFAOYSA-N 405.489 1.766 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1889374476 OTUBTDIKHMWTLO-UHFFFAOYSA-N 413.518 1.330 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1901970260 BWRQDLGZOBVXNF-ZHRRBRCNSA-N 415.490 1.749 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1931634610 JRAMCNOCLQIYRW-VIFPVBQESA-N 401.279 1.182 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 1982286518 KZVDCQLLDXVZQI-NEPJUHHUSA-N 413.334 1.744 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC12CC(C#N)(CO1)C2 2108229274 SNWBURFYIUQTHJ-LMDPOFIKSA-N 421.450 1.003 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)cc1C#N 2118167337 NUNRGDOJXMRMJV-NEWSRXKRSA-N 412.471 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174783979 JCFDZHSERCRTBD-GJZGRUSLSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)CC(F)(F)CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180118573 XPSUHJNXVWBUHU-CYBMUJFWSA-N 408.467 1.576 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)CC2(C#N)CCCCC2)C1 2183269020 IWEOFUYFMJQSPN-HUUCEWRRSA-N 401.529 1.750 30 10 HDEE N#CC1CCN(S(=O)(=O)NC[C@@H]2CC2(Br)Br)CC1 2218014674 DZTLICJHHNNIMK-VIFPVBQESA-N 401.124 1.562 30 10 HDEE CCN(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247838554 JQWHJWSEDXRFFK-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NC[C@@H]2CCN2Cc2ccccc2)OC1(C)C 2247858048 KPQAKYDBVJQBTG-KRWDZBQOSA-N 408.311 1.780 30 10 HDEE CC[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247916023 OEHZNWIWVUFCAA-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE Cn1ncc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247916409 WZMWFMDMPFPZPQ-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE COC[C@@]1(C(=O)NCCC#CBr)CN(C(=O)OC(C)(C)C)CCO1 2249998742 MSQAZORMXALNQZ-MRXNPFEDSA-N 405.289 1.501 30 10 HDEE C=CC[C@]1(CO)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259492329 JLEDSKSCDRFXMQ-HXUWFJFHSA-N 406.504 1.796 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1csnn1 2267374115 MROWQUNTBAUSBD-VIFPVBQESA-N 401.344 1.938 30 10 HDEE Cc1cc(S(=O)(=O)N2CC([C@@H](F)CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304412 KGAVEQHPWJAPLQ-LBPRGKRZSA-N 405.322 1.307 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H](O)C1 2282305430 YRWKTQRIBHQVLU-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCCS1 2282342096 CCHHPKQXLXAPKH-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE C[C@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349090 ULTQKYAQXKZGJN-STQMWFEESA-N 400.375 1.666 30 10 HDEE CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282416763 AILRGWIDMNAMJL-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495193 JBGHKNLYRDPCNJ-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE COCC[C@@](C)(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501676 ACUDCJYHOZUYNG-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE CS[C@H]1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282858562 YWLDUQSSSLTRTP-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CCC1(O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282859165 IVLBAHXZJGJOBB-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282873192 HYVCHANYQKHYPS-RUZDIDTESA-N 401.359 1.174 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@@H](CO)C2)OC1(C)C 2282877910 YNPLANUYZXECHS-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H](F)C(=O)O)OC1(C)C 2284397382 LMLRCXMACAYYIL-NSHDSACASA-N 407.294 1.280 30 10 HDEE C=C(CS(=O)(=O)N1[C@H](C(C)C)SC[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284414570 IQTPGUAVJKXPFR-STQMWFEESA-N 405.347 1.988 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)[C@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2286864745 ZFPRDBHWUJMDLB-QWHCGFSZSA-N 400.375 1.775 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 2300229784 AVDKEXIOLKLOJP-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303604497 CUZVEHOHAXXMRT-INIZCTEOSA-N 415.299 1.407 30 10 HDEE C=CCN1CCN(C2(C(=O)O)CC(NC(=O)OCc3ccccc3)C2)[C@H](C)C1=O 2345420822 WDSQLRDCARDRCB-FPPRHVDESA-N 401.463 1.617 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2365204115 XAIFXZJKHQCPNI-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2365210740 JHDCDRSBESQUAU-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CN[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2365630787 WFDAJXSEMDTBHQ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367801363 RETXDJHBIQVVKQ-HRCADAONSA-N 400.541 1.570 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367803702 MUIFEWAWLDPABT-YJBOKZPZSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCC1 2367812121 PQGXFYSOXMURGW-LSDHHAIUSA-N 400.541 1.483 30 10 HDEE N#Cc1c(CCCNC(=O)CNC(=O)c2ccsc2)nn(-c2ccccc2)c1N 55216658 KEAFMDFKYYEZEA-UHFFFAOYSA-N 408.487 1.866 30 10 HDEE CC[C@H](/C(N)=N/O)N1CCN(C(=O)c2csc(I)c2)CC1 124458922 QMTAMHABJHYFGJ-SNVBAGLBSA-N 422.292 1.636 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)CN2CCN(c3ccccc3F)C2=O)C1 219962876 DAENMIVABBCIHB-CQSZACIVSA-N 410.409 1.409 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 435237868 YSWHOBJQPQESMR-UHFFFAOYSA-N 408.462 1.813 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OC 435941871 LLTJXRSXUQZOGB-ZIAGYGMSSA-N 416.521 1.152 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2cccc(F)c2F)CC1 445643364 VJJSYZMSCTUNEY-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 476805093 NUFMKIXASZKVCT-GOSISDBHSA-N 414.462 1.204 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490042372 ILPSDBPQVMMFNL-CQSZACIVSA-N 404.404 1.712 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(F)F)[C@@H](CC)C2)c1 498792034 RCTFHMHUDBDVEA-HNNXBMFYSA-N 401.479 1.952 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1 502894398 VZEAWSGCWHMYPW-GOSISDBHSA-N 404.536 1.969 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 508816551 JUUUSFSHQFGTKC-NRFANRHFSA-N 408.510 1.355 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1CC=C 516829045 DGGDQKQLIUQLCN-UHFFFAOYSA-N 421.522 1.690 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(C)[C@@H]2c2cccs2)C1=O 525557184 CHWVXBGGGBHQFK-CJNGLKHVSA-N 404.492 1.224 30 10 HDEE CCN1CCN(c2ccccc2NC(=O)N(CCC#N)CCN2CCOCC2)CC1 531181949 HHUBGINGEZEMMT-UHFFFAOYSA-N 414.554 1.908 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)cc1 539527794 UUJLKLGJVBDKPH-UHFFFAOYSA-N 424.276 1.777 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4nnc(C)c(C)c4C#N)CC3)C2=O)n(C)n1 540956720 RPJNACWXJTUWOG-SFHVURJKSA-N 408.510 1.325 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CNc3ccnc(C)n3)c2)CC1 544464982 ZSWMLJUIXQWZBC-UHFFFAOYSA-N 408.506 1.457 30 10 HDEE C=CCN(C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)[C@H]1CCS(=O)(=O)C1 544590662 NEZOJUMUQYANJO-ZDUSSCGKSA-N 408.505 1.843 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 545504899 INJIGQYSCUGEIG-UHFFFAOYSA-N 408.481 1.563 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OCCO 546218259 LBEHODKDWDWLST-UHFFFAOYSA-N 411.462 1.365 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 558090310 DGOZDSNEJWZQRU-KRWDZBQOSA-N 405.501 1.441 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCc3ccccc32)C(=O)O)cc1F 562374784 CYEJIMRXVZMVTF-KRWDZBQOSA-N 403.435 1.882 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 564008272 ZPLTXVJIZQTIQH-UHFFFAOYSA-N 414.443 1.960 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 566826012 YKCFKIJNPUHOBV-NVXWUHKLSA-N 403.508 1.658 30 10 HDEE C[C@@H](C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1)n1cnc(C#N)n1 569993275 HWIOEFWZJNZDCB-YUNKPMOVSA-N 407.434 1.252 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CCO1 574491269 LNRDKWOIUUXROB-JRINFJIASA-N 417.465 1.217 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc21 586315795 PUMXHAYOGDBVKE-IZPCHGGPSA-N 417.487 1.290 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nnc2n1CCCCC2 603557932 VXICMHPKOVLYBK-CQSZACIVSA-N 416.507 1.687 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 604001323 LJHZIYWAAAUSCU-UHFFFAOYSA-N 412.474 1.552 30 10 HDEE O=C(CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1)NC1CCCCC1 606059911 JTEVIGATVZFLLG-UHFFFAOYSA-N 404.470 1.985 30 10 HDEE CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 609344025 XHPWBTRJTJAGPM-UHFFFAOYSA-N 409.471 1.681 30 10 HDEE CS(=O)(=O)NC1(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CCCCC1 612839797 ZPFHVLCWRVAXRD-UHFFFAOYSA-N 420.539 1.037 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(F)c(C#N)c1 615306985 AOZXOHQKSNREIV-GOSISDBHSA-N 420.404 1.292 30 10 HDEE CS(=O)(=O)NC1CC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 619790366 DOBAVELXLALZLJ-UHFFFAOYSA-N 408.871 1.599 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727418615 URUHVXRBILSLRP-UHFFFAOYSA-N 417.490 1.762 30 10 HDEE Cc1ccsc1C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C 729669802 DLNAUZPYQBBQAC-UHFFFAOYSA-N 406.492 1.850 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1C1CC1 732665054 UGEKUHFNWNWNTE-LEWJYISDSA-N 403.486 1.621 30 10 HDEE COC(=O)[C@@H](OC(=O)CS(=O)(=O)NC1CCC(C)CC1)c1ccc(C#N)cc1 740248132 YPSRZURRCIVRRX-AUCFXJAVSA-N 408.476 1.814 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)OCc2ccc(OC)c(C#N)c2)cc1 747024463 ODPHXZPJPXYBHW-UHFFFAOYSA-N 404.444 1.849 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)cn1C 764528272 XWRVMBWKRVGFKB-UHFFFAOYSA-N 404.521 1.304 30 10 HDEE Cc1nc(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)no1 777788874 NRSLRYVOBUHLNF-UHFFFAOYSA-N 405.480 1.636 30 10 HDEE COc1ccc(CNC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1C#N 779414118 ZBBCFEUPDGHUCQ-UHFFFAOYSA-N 403.508 1.850 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 780481876 VJDJZMVWSSZJIN-UHFFFAOYSA-N 424.343 1.298 30 10 HDEE COc1ccc2c(c1)C=C(S(=O)(=O)Nc1[nH]nc(N3CCOCC3)c1C#N)CC2 780742622 BBQWEDYLCGRQOG-UHFFFAOYSA-N 415.475 1.856 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)n1 790107307 AMQWLDXKXBMVHQ-OAQYLSRUSA-N 408.502 1.725 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1 790844016 LLNMFCLJNAGYJZ-UHFFFAOYSA-N 407.467 1.817 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(OC)c1 798744041 HEMNJYWBNDASJK-CZUORRHYSA-N 413.434 1.635 30 10 HDEE C[C@@H](CO)N(C[C@@H](C)O)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807247990 HWDJTJWXQSCXMT-UONOGXRCSA-N 401.488 1.493 30 10 HDEE C#CCCS(=O)(=O)N[C@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC 808303653 ITNDCGVVMMKOJY-CQSZACIVSA-N 413.293 1.957 30 10 HDEE N#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 812616526 GSBTXLBABUNGRB-DHDCSXOGSA-N 405.476 1.368 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2cn(C)nc2Cl)cc1OC 815908495 CMVJTYRLUKOVBE-CQSZACIVSA-N 404.854 1.701 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)cn1 1083896207 IIXSBPCEMXMSSF-UHFFFAOYSA-N 402.459 1.574 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccc2)C1 1116951253 AZDVZJNNFFGXPB-WMZOPIPTSA-N 419.551 1.912 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)c1 1125221683 IFUIGDZBNACZHA-IRXDYDNUSA-N 401.463 1.652 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1128108978 FVIJPDSKWKBZDD-JKSUJKDBSA-N 413.268 1.636 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)n1 1128673055 RKZLMUZGZQOWQQ-UHFFFAOYSA-N 412.368 1.577 30 10 HDEE C[C@@H](C(=O)N1CC(=O)Nc2ccc(C#N)cc21)c1ccc(S(=O)(=O)N(C)C)cc1 1129604943 MXYIBCVXPNWSQM-CYBMUJFWSA-N 412.471 1.897 30 10 HDEE C[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@@H](C)S(C)(=O)=O 1136570322 DEQRVZFMLHKBRV-HUUCEWRRSA-N 400.504 1.824 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1137123001 BLFQBVIOHJLHGY-UHFFFAOYSA-N 424.310 1.517 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2c[nH]c3c(OC(F)(F)F)cccc3c2=O)CC1 1137371133 GYTVHSPBKCQDIP-UHFFFAOYSA-N 408.336 1.625 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)c1 1141818027 OISNYWNQPBTCRQ-FQEVSTJZSA-N 406.504 1.792 30 10 HDEE CC(C)(C)OC(=O)CN1CCC(NC(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1151954201 ZSTPDXUFRGNFGP-UHFFFAOYSA-N 400.479 1.210 30 10 HDEE C#CC[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OC 1161365931 YWVHMTBWQDBBJW-AWEZNQCLSA-N 420.263 1.201 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC[C@@H]1C=NNC1=O 1168404427 LLTHHGVNCGNBTH-GFCCVEGCSA-N 423.267 1.726 30 10 HDEE C=C(C)C[C@@H](NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OC 1171470126 NOSCBNSDHYXEAU-VXGBXAGGSA-N 403.888 1.416 30 10 HDEE C#CCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cn1 1192327590 GOKCXDLMPZFQPK-SFHVURJKSA-N 420.922 1.894 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2Br)CC1 1213515530 WQMOXNICIGYTEO-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1253353902 CXRFHPCPVXBSSE-SJORKVTESA-N 407.511 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCC[C@@](C)(C#N)C3)CC2=O)C1 1256121848 AGGDJADLWHAWCQ-XOBRGWDASA-N 405.499 1.542 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286344344 RCRZUKYDCQLMIF-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1286368029 PALWXHQJMMHNRU-UHFFFAOYSA-N 421.509 1.101 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286393317 JYMYEGXGIWQVAL-QGZVFWFLSA-N 424.567 1.035 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(N2CCCCC2)c1 1286397863 DGTAEKYIIDXQPO-UHFFFAOYSA-N 419.533 1.923 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@H]1C[C@@H]1C 1286460371 MNFTVYKTVVZRLV-YJBOKZPZSA-N 417.535 1.862 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286551226 GXDPNQFQQSHGQV-AZUAARDMSA-N 402.543 1.312 30 10 HDEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286695298 TZJCEHNKWKSRGQ-APWZRJJASA-N 412.556 1.983 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1)C1CC1 1286738153 QYECUJXCCDZLLM-QGZVFWFLSA-N 423.539 1.113 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286786472 SYEZVHZFYANRMI-UHFFFAOYSA-N 410.478 1.126 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1289958001 GNPSKWFIKNRWIV-FQEVSTJZSA-N 402.520 1.857 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1293532857 CRFHLFIOTWOZFJ-AZUAARDMSA-N 410.445 1.658 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1298562224 GPRXVNGKGOQUTO-MRXNPFEDSA-N 414.531 1.979 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCSC2(CCOCC2)C1 1300421812 RXXGIECFAWDGKR-UHFFFAOYSA-N 403.552 1.916 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300423748 VHFOKEKHIHBBBQ-KRWDZBQOSA-N 415.469 1.751 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccccc1 1300512922 NUNRESMEEXYLOL-GOTSBHOMSA-N 408.502 1.911 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1300602907 VJEATOPHWKIVDB-IKGGRYGDSA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300634095 TXEMGYNPKRDSFF-FQEVSTJZSA-N 402.520 1.072 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2COCC)CC1 1300698125 OAALQYDEBWJDED-FQEVSTJZSA-N 422.533 1.569 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300756444 MVLGZWQVHWYMMO-UHFFFAOYSA-N 404.584 1.512 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1300777832 DWUGSQDRAJYXRQ-CRAIPNDOSA-N 410.565 1.511 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1300789811 ZJKBWHGLAIXMNU-HXUWFJFHSA-N 412.519 1.748 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCOC[C@H]1CCCO1 1300813190 DLMKAXFBWXGEBW-XMSQKQJNSA-N 415.538 1.978 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301169985 KUIOHVQXUPWXGY-INIZCTEOSA-N 424.571 1.341 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1303636835 RCUHFEHXEJRPHA-ZIAGYGMSSA-N 405.503 1.882 30 10 HDEE Cc1nc(CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)cs1 1304678673 FGEOUQBXXOIRDK-ZDUSSCGKSA-N 409.523 1.971 30 10 HDEE CCc1nnc(N(C)CCN(C)c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1306088710 GADBPQRQFSPROI-QZQOTICOSA-N 423.521 1.940 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1 1309655762 ZARLIOZGAWZRDG-UHFFFAOYSA-N 411.476 1.585 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)C1=O 1311323173 WWNVMEGQGQKLGM-KRWDZBQOSA-N 411.462 1.551 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@H]1O 1315110122 UEMKEZMNFHANRC-BMGDILEWSA-N 412.494 1.127 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1318934819 JJIYWGSTXYECKM-UHFFFAOYSA-N 407.522 1.684 30 10 HDEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)ncc1C(N)=O 1355668070 CVJUDGANGFGYQQ-QJOMJCCJSA-N 415.475 1.554 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1358913398 NHAIFCQTSRZFIC-KRWDZBQOSA-N 411.572 1.897 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358956801 KQVVLOADLWYJMU-YOEHRIQHSA-N 404.540 1.509 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1359009727 WWJYTRHECYZXRM-INIZCTEOSA-N 418.519 1.724 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359075661 BGZIYCSCGUVQAY-VXGBXAGGSA-N 411.304 1.040 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359157263 DOUSUPNAGJYBMJ-RDTXWAMCSA-N 410.906 1.239 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1359319711 DSJUGGVFXIXVHG-SFHVURJKSA-N 424.505 1.200 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359821520 MTNXWHZXILHQHQ-XDSRXIPYSA-N 414.510 1.620 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)c3ccc(C#N)nc3)CC2)c1 1437297633 AXTNBRJZNKXHAH-UHFFFAOYSA-N 413.503 1.377 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)COCc2nccn2C)c1 1441628757 DLWZCIGDWILOIT-LTGZKZEYSA-N 405.480 1.388 30 10 HDEE C=CCOC[C@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)C(=O)OC 1448492674 GERWESXMROANQH-HOCLYGCPSA-N 421.519 1.659 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1450267288 BIYMIOJXTWSUIT-OCCSQVGLSA-N 400.298 1.155 30 10 HDEE CN(C)[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1(C)C 1452115641 IZBJRXYDSCOURI-RBUKOAKNSA-N 418.563 1.804 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 1455114141 AOTGDIAIOUSZMO-UHFFFAOYSA-N 409.817 1.584 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3nccn3C)CC2)cc1 1455372243 QFEHYKQJSFNJNR-UHFFFAOYSA-N 404.492 1.008 30 10 HDEE C=CC[S@@](=O)(=NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 1463270790 KSDTYDFYGCDVCA-LJAQVGFWSA-N 412.471 1.794 30 10 HDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nncn1C 1467229582 PDDDFPKWAAWMAX-MGVZARIASA-N 402.499 1.822 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 1470733829 AYSOBBHGNFBFEO-HNNXBMFYSA-N 402.310 1.909 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c[nH]c4cccc(Br)c34)C2)c(=O)nc1O 1472370702 LJHBFEOLJLLYMQ-UHFFFAOYSA-N 414.219 1.761 30 10 HDEE C#CCCOc1ccc(C(=O)NCC(=O)Nc2cccc3c(O)nnc(O)c23)cc1 1472495908 DNQKMQIEYVOWNJ-UHFFFAOYSA-N 406.398 1.812 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c[nH]c2cc(F)c(F)cc2c1=O 1472528981 HGLXCBQNEWGQSM-NSHDSACASA-N 410.384 1.819 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](C(=O)OC)[C@@H]3CCOC3)ccc2c1=O 1472632951 BDAIHXBKYVPTHV-UKRRQHHQSA-N 417.487 1.427 30 10 HDEE COC(=O)[C@]1(N2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCOC1 1473657709 KFONTGWVVMAFHX-IBGZPJMESA-N 412.408 1.886 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC 1475717768 YHRCJGYCAVOYAX-UHFFFAOYSA-N 413.927 1.426 30 10 HDEE CCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478413008 DBYGMZJWWCCODE-AZUAARDMSA-N 424.505 1.974 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1503669685 DNPKDKFXBQPVMD-OAHLLOKOSA-N 406.512 1.227 30 10 HDEE COC[C@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1)OC 1504587715 GIJKAZAMPXGUBS-MOPGFXCFSA-N 423.477 1.521 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1507690413 TVRGNQOTYBPKFU-QGZVFWFLSA-N 408.510 1.190 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC(F)(F)C1 1507703366 VOWTUYKFKVAOPZ-ZIAGYGMSSA-N 419.498 1.410 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(N(C)C)nc2)CC1 1507725722 ZSLGIVRHOLFRPI-UHFFFAOYSA-N 402.506 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccn(C)n2)CC1 1507736199 HGEYDBQCRYFRGG-UHFFFAOYSA-N 418.505 1.282 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1CSC 1507751090 JSSNDOCDKJGPNV-LSDHHAIUSA-N 414.622 1.878 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507753862 RZLANQHPIKMFKW-QGZVFWFLSA-N 413.551 1.317 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507755434 UOSSTNCQQOGBDH-HOTGVXAUSA-N 418.567 1.289 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507832111 NTNQSCIMROVNKB-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H](C)CC(N)=O 1508074253 RFMCUYUDEJDYDE-AWEZNQCLSA-N 422.493 1.338 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1508139491 AZBRUSJTQIGHCS-GOSISDBHSA-N 415.519 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1508144278 OXMFEZXVHGWXIR-CALCHBBNSA-N 401.536 1.957 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1508167256 HAXUCRQUQQQQON-IBGZPJMESA-N 409.556 1.518 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508390296 WSFBFDCWSOYVHQ-ROUUACIJSA-N 407.478 1.058 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(N)=O)c1 1509950534 DKDYGWIPZBFXGL-AWEZNQCLSA-N 406.450 1.386 30 10 HDEE Cn1cnnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1517401193 FVFWZRGKIBXGMS-SQWLQELKSA-N 400.487 1.102 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1518647426 KTYCXCMBIVQQMK-NEYJZJCJSA-N 421.542 1.966 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1531928329 QHLZWAYKAYIYHE-MSOLQXFVSA-N 409.849 1.206 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1534412915 VTKUVXCUEAVWJB-YCRPNKLZSA-N 401.463 1.315 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@]12COCCN1C(=O)OC2 1535924984 XJKLWWWXYWVZSC-LIRRHRJNSA-N 410.471 1.301 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccc4c(c3)OC(F)(F)O4)CC2)c1C#N 1537402896 HHNVZBZFDWFEDR-UHFFFAOYSA-N 403.389 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](C(F)F)N1CCOCC1 1538963372 RIOROIJPWLTAPD-GJZGRUSLSA-N 412.485 1.230 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1539230461 HUEBUGVQKKWCLH-IAGOWNOFSA-N 418.523 1.043 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1ccnc1C 1539288317 DSUSFSUAKMZKFY-UHFFFAOYSA-N 407.503 1.548 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1 1539337057 JNXNBTUPYSSPKW-ZWKOTPCHSA-N 412.465 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)C1 1540904219 KCTMACXFVBVRBB-UHFFFAOYSA-N 405.524 1.480 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1542686773 WGWYEJFPHXKNNQ-OTWHNJEPSA-N 413.478 1.434 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@](C)(C#N)CN(C)C 1544117487 VNTCYOMGOLPFPA-BLLLJJGKSA-N 416.341 1.819 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1544573967 AGMBKALFGBWDOA-IBGZPJMESA-N 404.486 1.452 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)C1 1555815136 JFCWSCQLWVOEBX-ZDUSSCGKSA-N 404.496 1.434 30 10 HDEE C#CCOCCC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1557517279 KDRMPBXCZKGBLS-KRWDZBQOSA-N 409.527 1.733 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1S(=O)(=O)NCC#N 1558195132 BYKCQBGQOMNSDM-IUODEOHRSA-N 419.425 1.979 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1558675414 CCBSXJNOROGTSJ-UHFFFAOYSA-N 400.485 1.312 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N(CCOCCO)C3CCC3)C2=O)cc1 1564547038 FFTTVKUIKHGBSJ-LJQANCHMSA-N 400.479 1.627 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1568507581 FBBMHVGGNIFLKL-QGZVFWFLSA-N 408.462 1.030 30 10 HDEE CCC(C#N)(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1586836757 RLPXORRDSVBHSF-UHFFFAOYSA-N 422.551 1.593 30 10 HDEE N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1587330072 JRVWGXGVOFREBA-DJIMGWMZSA-N 407.467 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H](CC(N)=O)C2CCOCC2)CC1 1587425476 IBBCKZJWYNOCJM-QGZVFWFLSA-N 407.511 1.424 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](C(N)=O)C1 1587823396 PKOWFEXMJBPREC-INIZCTEOSA-N 415.519 1.464 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1587851610 KOOPDECEGWIQDC-ROUUACIJSA-N 424.567 1.963 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059503 OZVLSTGALVXSNF-QZTJIDSGSA-N 407.584 1.588 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588075086 XETSAGIQNBJRCM-JKSUJKDBSA-N 408.524 1.061 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1588224254 UMPBDHKWTJKBIK-GOSISDBHSA-N 414.473 1.526 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(I)cc2F)CC1 1588260917 BVOIIXXRFTWNMM-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1588612617 IERIDTIVPKRHJH-UHFFFAOYSA-N 406.490 1.948 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCOc2ncccc2F)CC1 1588811282 FGZHUZBXIUPVFG-GOSISDBHSA-N 414.485 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCCOC)C1 1589528464 GMKOPBRGYIAZAZ-QRQLOZEOSA-N 416.526 1.902 30 10 HDEE C=C(C)Cn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1593682841 DSLBJUJHGCPXQJ-OAQYLSRUSA-N 405.543 1.807 30 10 HDEE C=C(Cn1c(C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1593782795 VJDYCXORLMCZOT-UHFFFAOYSA-N 408.506 1.571 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1594226774 RCYBZYWPNDMAAP-UHFFFAOYSA-N 405.524 1.615 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1594720398 KZAXYGJJPLSPAG-ZACQAIPSSA-N 418.542 1.563 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1594813418 SGKOTLCZUUNYQN-KRWDZBQOSA-N 403.527 1.870 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1594948112 BELVEFJCOCSEDA-ZWKOTPCHSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)CC1 1595476303 JQJIQGNYGMUOEK-LJQANCHMSA-N 410.522 1.791 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1595789591 XFJPLIWJRYGGNX-QMTMVMCOSA-N 410.540 1.529 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1597323808 HPEZABSTVACQSQ-AFCDSYGPSA-N 410.467 1.061 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1607592701 FFXFMIJRLQRKEV-QZTJIDSGSA-N 404.559 1.952 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)CC1 1611772375 STUSLPBNBRIGDD-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE CC[C@@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1613419932 FQUHCHSZOSNCMG-OWSLCNJRSA-N 406.531 1.461 30 10 HDEE CCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)C1 1615799572 PVNALZCKFQZSIX-YLAKUSLOSA-N 406.506 1.786 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)COc1cccc(Br)c1C#N 1618070893 GRWDCRXTXPXDPW-WDEREUQCSA-N 401.282 1.734 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1618575787 FAMVIDTVSFMYGN-QFIPXVFZSA-N 423.521 1.694 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1619779274 GNVRTRUXSVGGNJ-GHTZIAJQSA-N 415.494 1.682 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN(C)[C@@H](CO)C2)cc1 1620480380 MSHBLENXUJECAI-GOSISDBHSA-N 411.506 1.521 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1623640723 MTXQESGMCVCVGJ-ROUUACIJSA-N 406.914 1.482 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ncnc(O)c2Br)C1 1624819293 IEJVCWNUCNKPED-BDAKNGLRSA-N 412.244 1.434 30 10 HDEE CN(C)C(=O)[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1626435836 APZYSFPUDABXJG-LBPRGKRZSA-N 405.296 1.694 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1627412855 UVHLAXLQJOKWIP-HUUCEWRRSA-N 416.565 1.731 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1628666933 MVPTVLGBEORRSZ-GOSISDBHSA-N 411.458 1.867 30 10 HDEE Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(=O)c2cnn(C)c21 1628900246 BLKSFJIPSFSAOW-GOSISDBHSA-N 408.437 1.434 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1629485686 OOPBFTLVNLXONA-UHFFFAOYSA-N 406.489 1.612 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CC1 1631417286 KAUKMIGWJSKMMN-FQEVSTJZSA-N 412.534 1.444 30 10 HDEE C[C@@H]1CN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1632004446 QPIZHLFDAYJDRI-CYBMUJFWSA-N 407.312 1.594 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1634691117 RUBLEURPYLWNIS-CABCVRRESA-N 416.544 1.504 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1635702080 YXVOGQCRFPPDGK-SFHVURJKSA-N 410.474 1.646 30 10 HDEE CC[C@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636452422 CPYDGJBIRRTSTM-FQEVSTJZSA-N 404.467 1.571 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(C)nc2-c2ccccc2)CC1 1636475818 YKIHTPVAZLUHPS-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1)C(=O)OC 1637697499 UUEZBWJGKJDCQY-LSDHHAIUSA-N 407.264 1.621 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](O)C(F)F)nnc12 1638983088 FNQBVWIGTSCJLA-ZDUSSCGKSA-N 423.445 1.455 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)C1 1639270071 OJJIHYUJCFAMSO-OAHLLOKOSA-N 400.460 1.262 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)CC1 1645771962 JXENRHOBDPEREE-UHFFFAOYSA-N 415.533 1.048 30 10 HDEE O=C1C[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1648125982 WTKJOZYMPSULLC-LYFYHCNISA-N 408.245 1.669 30 10 HDEE C=C(C)[C@H](CO)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1653888265 PSPPQAGCXZCNKW-KSZLIROESA-N 408.543 1.791 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)N(O)Cc3ccc(F)cc3)cnc21 1654829253 ZTDBBJUSTKQHCH-UHFFFAOYSA-N 410.203 1.450 30 10 HDEE CN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCC[C@H]1C#N 1655297459 XSAXEBANOCMKKQ-UNTIMAPOSA-N 413.503 1.858 30 10 HDEE CCOC(=O)c1csc(N2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 1655902896 REZUMNVTYYQSMY-IFXJQAMLSA-N 407.540 1.885 30 10 HDEE N#C[C@@]12CN(CCC(=O)Nc3ccccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1660309512 HKNLRWIDCFKJNB-LRDDRELGSA-N 401.410 1.904 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2c(C(=O)OC)cccc12 1660902596 OHVUXSORXBNYGK-AWEZNQCLSA-N 421.496 1.437 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@](C)(O)c1ccccc1Br 1670882167 FIZHBTYLEORUJA-OAHLLOKOSA-N 405.314 1.557 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)Nc3ccc(Br)c(C#N)n3)C2=O)cn1 1673540630 GPGMPYUKLWXPNF-LLVKDONJSA-N 404.228 1.376 30 10 HDEE C=CCn1cc(CNC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)nn1 1673802581 AUIMPYBFGZDLFG-UHFFFAOYSA-N 403.512 1.643 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCCNC4=O)cc3)CC2)cn1 1674805854 HQFNPMHAQHNRIX-UHFFFAOYSA-N 419.489 1.905 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)N(C(=O)COC)CCC2)[C@@H]1CCS(=O)(=O)C1 1681017582 KEEFAFRWBHZSCS-QGZVFWFLSA-N 419.503 1.266 30 10 HDEE CSc1ccc(CNC(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C#N 1685883329 JPXPLCOJKZMZAS-MAUKXSAKSA-N 409.533 1.816 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCCc2cc(OC)c(O)c(OC)c2)CC1 1687183038 VATVEJUGXBVHTF-UHFFFAOYSA-N 403.479 1.513 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1689852026 YRWNYXMPBZNUFP-HRCADAONSA-N 402.524 1.097 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1689867031 OTZKEVCSGLOOBL-RHSMWYFYSA-N 403.508 1.544 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689884275 PBJYWJXLHYVERW-SFHVURJKSA-N 423.565 1.876 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689940717 BESLKVJYZLVABS-LAUBAEHRSA-N 401.511 1.543 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690022664 OAHIVCXYHAZMTO-BGYRXZFFSA-N 406.534 1.836 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[S@](=O)C(C)(C)C 1690052344 GQQFTEZTIRRICZ-NDEPHWFRSA-N 403.552 1.411 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1690074031 PJYUMRSDFDIOSC-QGZVFWFLSA-N 412.469 1.566 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1cnnn1C 1690089444 ATIQLLJBWITYHA-UHFFFAOYSA-N 403.425 1.691 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1 1690190060 KCXVQLIINCHACW-MGPUTAFESA-N 417.535 1.937 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)C 1690350972 CYRFOUMAZABROT-UHFFFAOYSA-N 410.931 1.983 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(C)c2)C1 1690670046 XCWNDYZFUNXLOL-ZWKOTPCHSA-N 408.506 1.834 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1696098810 VYLDUJDJYDDOCL-KXBFYZLASA-N 418.885 1.756 30 10 HDEE CCOc1ncccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1696176151 GBHCHUJJJZZAKB-GOEBONIOSA-N 418.523 1.761 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1696481366 GNNCDVCCQYACOW-HNNXBMFYSA-N 415.523 1.547 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1705489156 KICPTJAVAACNPQ-INIZCTEOSA-N 404.478 1.473 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705536144 JBXZLQSZKJZVSO-LJQANCHMSA-N 421.505 1.444 30 10 HDEE C#CCCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OCC)CCOC1 1705539349 PEVYJRGFDOWULM-WMQCIHAUSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@H]2CCOC2)cn1 1705559319 XSPITRFOJRBKFY-LNLFQRSKSA-N 414.510 1.472 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1705582445 BEMXGJVJRXJZRP-INIZCTEOSA-N 401.492 1.101 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCO[C@@H]1C(C)C 1705630090 GKOFDKGATXOATI-YLJYHZDGSA-N 403.527 1.548 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1CCNS(=O)(=O)Cc1ccon1 1705675747 ZQGMWZWKKMAZOF-LJQANCHMSA-N 420.539 1.576 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1705693193 CTGYCGMMSROSNO-OAGGEKHMSA-N 404.515 1.099 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)CC 1705717960 WNXJMEQJCIOKDM-YJBOKZPZSA-N 415.560 1.174 30 10 HDEE C=CCCOCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705832975 PUYNKRMKJJNELH-FXAWDEMLSA-N 405.499 1.640 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)C(C)(C)C 1705844085 VOMSNULMNCSXKF-CABCVRRESA-N 415.560 1.294 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1706064562 WLEHFPWPZIMJPN-IBGZPJMESA-N 404.421 1.964 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706935018 KKKAGOGNRSUGCZ-AVYPCKFXSA-N 415.498 1.638 30 10 HDEE CN(CC1CCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711139921 SMKJDSZZMCFLSF-QFPXGYFVSA-N 400.483 1.545 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1722290000 BUGJQSBEUQQXLT-CYBMUJFWSA-N 406.446 1.611 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722324655 VRVKLNPMZPADOC-XHSDSOJGSA-N 411.572 1.942 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722359291 RKHPMAYFWGUHFN-MRXNPFEDSA-N 419.551 1.331 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccn(CC)c1=O 1722401297 SGPZMWAMLILFAR-UHFFFAOYSA-N 417.517 1.833 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCCC2)CC1 1722436675 KPQHYFGVHPGYLZ-WOJBJXKFSA-N 400.571 1.659 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1722618633 TYUUYLPJNHVNGI-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1740533918 VRBPCDOCYJQLIZ-ZIAGYGMSSA-N 421.571 1.253 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740609231 MJPFMNIHPMOVEC-QGZVFWFLSA-N 404.478 1.544 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740616768 GOTHACWOTPHEKF-KZNAEPCWSA-N 423.583 1.139 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1740690997 RTXBOAKVXGBVRV-OWSLCNJRSA-N 420.583 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CC=CCO2)CC1 1740703935 DEJHEUXCMZDPPI-LJQANCHMSA-N 420.517 1.959 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740958171 JUISBECXYGBRFB-NRFANRHFSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740959786 DYTRIXRCCALLOI-CVEARBPZSA-N 418.542 1.215 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1741125193 KOZUZLBVPPRLIA-DRRXZNNHSA-N 410.522 1.979 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1741608849 DGSMLMIPRYSZFA-LPHOPBHVSA-N 412.494 1.860 30 10 HDEE C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1741847428 NOJJJCPHDQIZLT-WZGPROSRSA-N 407.522 1.923 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1747534611 FCBWPUVOMURKIJ-QZTJIDSGSA-N 421.505 1.542 30 10 HDEE COC(=O)N1CCC(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1748338358 VLOXBWPSYHGBEA-UHFFFAOYSA-N 411.466 1.600 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncc(Cl)n1C 1748752034 QQOLDBCAGTUELT-CYBMUJFWSA-N 410.931 1.617 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(Cn2cccn2)cc1 1748798982 NBZCXTIVTSTIJR-UHFFFAOYSA-N 403.490 1.763 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748824402 PICCZEOYUDDBBI-SJLPKXTDSA-N 418.494 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(C)cn1 1748835763 HVQWRQPXRAUYAQ-UHFFFAOYSA-N 412.461 1.199 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748839539 XLILYGRLZZWHDO-INIZCTEOSA-N 415.494 1.439 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1748846550 IQUPVOHQJNVPGL-GOSISDBHSA-N 414.535 1.238 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1748847113 OWUGTVKQHLQLBT-WIYYLYMNSA-N 415.563 1.063 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCc1ccc(S(N)(=O)=O)cc1 1748895337 WHYJMQRAALJIQL-UHFFFAOYSA-N 413.547 1.830 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1748935191 OYTKAEDQVYEIER-OAHLLOKOSA-N 403.508 1.535 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CC 1748960342 IAMZLKCRHWYUKS-OAQYLSRUSA-N 410.478 1.841 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1749130979 PBPVVTSLWNLQFK-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1749650662 DRZYDLDLLXZRPS-MSOLQXFVSA-N 403.575 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1749664599 TZORWKATCOKUPB-KRWDZBQOSA-N 423.521 1.385 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3nnc(C(C)C)o3)C2)nnc1C(C)(C)C 1749681461 BSVHWYPIXZHFQM-AWEZNQCLSA-N 417.514 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OC(C)C)CC1 1749736000 XREKFTSGOALRRA-MRXNPFEDSA-N 412.556 1.777 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1749925035 LLSPFUCGQGWJDT-WWNBULGVSA-N 407.515 1.936 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@H]2c2nncn2C)n1Cc1ccc(C#N)o1 1750962016 VVXQPRQYVWYBQP-HNNXBMFYSA-N 409.454 1.399 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1751089237 DFDAATANXVXJMK-CQSZACIVSA-N 410.544 1.466 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCO[C@@H]1CCOC1 1760099256 DKULVQNVTUWTEI-WAOWUJCRSA-N 406.527 1.972 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760143587 LDFOMXJCWDOXKB-LAUBAEHRSA-N 416.526 1.336 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1760186424 NEUQYVQJEHNSLZ-OALUTQOASA-N 416.547 1.725 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1760190240 ZEAQOHPMVPMDIF-ZRZPHAQCSA-N 422.551 1.102 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760192932 POEBSWZTTWGWHS-ZWKOTPCHSA-N 418.494 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCN(C)C 1760207998 FGMCVGWBSNLWHF-RTBURBONSA-N 401.555 1.848 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C(=O)NC 1760312705 CIKIFZCNTHMTRE-BBWFWOEESA-N 418.542 1.314 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760316491 SQZCBUWXDNDDEG-HKUYNNGSSA-N 401.515 1.971 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760355201 BEHKVYKYTUIFAJ-INIZCTEOSA-N 412.498 1.368 30 10 HDEE C=C(Cn1c(N2CCN3C(=O)C(=O)NC[C@H]3C2)nnc1C(C)(C)C)c1ccccc1 1760364756 BHDJHJRIWBLZLC-KRWDZBQOSA-N 408.506 1.436 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1COc2ccccc2O1 1760522937 HGNFZKWEEPXICT-INIZCTEOSA-N 423.477 1.257 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760557116 ANSMPFCFYZBWPR-MJGOQNOKSA-N 418.563 1.871 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763717952 SGYNIZYSGORKDX-DBOZTHHTSA-N 415.498 1.020 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCC(C)(C#N)CC1 1766715985 VIUIBIAKNYZBHE-UHFFFAOYSA-N 417.539 1.800 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1767515865 DQRVAWOKALWBIO-SFHVURJKSA-N 407.522 1.873 30 10 HDEE COCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1771276439 ACIAEBJKUJOJPW-FQEVSTJZSA-N 413.457 1.622 30 10 HDEE C[C@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)n1nc(C2CC2)ccc1=O 1852261223 JKVUIQMMCJJQGA-MRXNPFEDSA-N 422.489 1.314 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(C)C(=S)N=CN(C)C)C2)cc1 1853156612 WIGUAZSBCHMWIH-HNNXBMFYSA-N 410.565 1.729 30 10 HDEE O=C(c1ccc(O[C@H]2CCOC2)nc1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853282082 YSRWXYFUYNTZNH-NSHDSACASA-N 407.370 1.733 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCCC2)c2ccc(C)n2C)CC1 1853417690 IPUVWPDAVYOZJO-UHFFFAOYSA-N 408.524 1.662 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853691259 MUUKPPZLYSHDAA-MOPGFXCFSA-N 420.529 1.972 30 10 HDEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1 1853982133 FEYSYNIZZCETAS-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cn(C)c3ccccc23)C1=O 1854282273 FENDMZNQQHRJCC-WOJBJXKFSA-N 408.502 1.567 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@@H]1C 1854330117 CQYDPUDBILXSME-LSDHHAIUSA-N 401.463 1.302 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3nc4c(F)cccc4s3)CC2)CC1=O 1854716134 COMKEFHXFIVUPZ-ZDUSSCGKSA-N 401.467 1.846 30 10 HDEE COc1cccc(OCC(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1 1854941951 VJTCMPXRVRZHCR-MSOLQXFVSA-N 414.506 1.511 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C(=O)C2)C1 1855029455 TXQVXXMXHAZGIG-FQEVSTJZSA-N 406.490 1.204 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855127576 ZIPXRXWSBMBPEO-OAHLLOKOSA-N 415.519 1.880 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(Cl)ccc2Cl)CCN1S(=O)(=O)CC#N 1856046470 SVNKKTZUZVAABD-UHFFFAOYSA-N 404.275 1.910 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1nnc([C@H]2CCOC2)o1 1856233708 HYNHMUBTYOQIQG-YOEHRIQHSA-N 409.446 1.247 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nn2C)C1=O 1856552783 KLSNQEOYNOJJJR-INIZCTEOSA-N 409.446 1.445 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)CC2=O)cc1OC 1856554303 YWTYVOHAVFSGFN-GOEBONIOSA-N 414.462 1.030 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(Cl)c3)C2)CC1=O 1856806036 WSJFGGILXNQLQK-GXTWGEPZSA-N 414.867 1.222 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cncc(OCCOC)c3)C(=O)C2)C1 1856856498 DAAACQDUJTYETR-SFHVURJKSA-N 402.495 1.042 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(C[C@H]3COCCO3)c3ccccc32)CC1=O 1856934943 XOLABQHMDKNKRX-SJORKVTESA-N 413.474 1.206 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3COc4ccccc43)C2)CC1 1857020281 VLIGUWRZQFAQLU-RDJZCZTQSA-N 417.487 1.103 30 10 HDEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N[C@H](CS)C(=O)O 1885473920 DVQQGPVRLZBRIA-LSDHHAIUSA-N 412.508 1.986 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS)C(=O)O 1885479902 VRGOGMUSMVAEGS-HUUCEWRRSA-N 411.524 1.511 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1ncc(Br)n1 2010351568 NTGHYOPEAJPPNI-LLVKDONJSA-N 400.277 1.464 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CC#N)CC(F)(F)F 2051060575 ZWKXHCJJYAUKBI-HNNXBMFYSA-N 421.372 1.728 30 10 HDEE N#Cc1ccc(C[S@@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 2074703371 WWABYQWWXORNNP-HPGBDJQBSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1cc(Br)ccc1C#N 2124720319 VJRNXMYMOAHBLJ-CYBMUJFWSA-N 423.267 1.995 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)CC1 2174779739 MJWOQDMJICDGAJ-RKDXNWHRSA-N 407.336 1.694 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2174781403 FQHOQPQRCPSJFB-RDTXWAMCSA-N 400.545 1.949 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc1C#N 2174787358 SPXBUSDQIVWESM-QYOLQKOISA-N 416.525 1.961 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(S(N)(=O)=O)CCC1 2181111227 ROXVQHIEHMJMHT-CYBMUJFWSA-N 402.517 1.291 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247805837 QBCMXQVBRZRELV-UHFFFAOYSA-N 421.347 1.727 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2247828921 JOZCSLPPGLYXJF-IRXDYDNUSA-N 408.311 1.569 30 10 HDEE CN(CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C(=O)OC(C)(C)C 2247840168 IUBAEDVDVRDFLD-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](CO)C2CCC2)OC1(C)C 2282500254 WPZWNJMYZMQRLK-CYBMUJFWSA-N 401.359 1.734 30 10 HDEE CC[C@H](C)[C@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506541 UDBRIBAKRINVKX-JSGCOSHPSA-N 403.375 1.874 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@@](C)=O 2282828148 JKMLWSNVWQZPDA-SSINHNECSA-N 421.777 1.685 30 10 HDEE CCS(=O)(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830271 RCDUTSSKGMOZQJ-UHFFFAOYSA-N 423.387 1.069 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@H](O)C1 2282835423 UQQSLDISHCKUGU-WCQYABFASA-N 401.359 1.747 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)[C@@H]1N 2282853822 JSVJUIOBFBNGEF-JYAVWHMHSA-N 400.375 1.651 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](C(=O)O)C(F)(F)F)OC1(C)C 2284404458 YTKQJVIJNYAFLT-VIFPVBQESA-N 415.220 1.341 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@H]3CCC(=O)O)c2)OC1(C)C 2284412346 BOGFJJIKPFBNQM-GFCCVEGCSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCC2(O)CC2)OC1(C)C 2285698059 YGLRFQCBPQZSAG-UHFFFAOYSA-N 402.347 1.167 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)OC(C)(C)C1 2365200025 UWQKDRZZBWWWIW-KFWWJZLASA-N 402.557 1.991 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 2365200129 VUEJQNONYZIYMZ-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2365200878 CFTJLQFABHKHEN-YGTYGHESSA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CC2 2365203967 WFXULCVVMRIUHQ-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE N[C@@H](C#Cc1ccn(C2CC2)n1)[C@@H](O)c1ncc(I)s1 2365975787 MUHNJTMISNXAPD-CMPLNLGQSA-N 400.245 1.692 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367795984 GXIFXGOYZWAGFB-HNAYVOBHSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(C(=O)OC(C)(C)C)C1CCOCC1 2367798605 RXZPROYLNSMCRK-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(OC)CN(C(=O)OC(C)(C)C)C1 2367801120 PBGCHYKGJJVEJS-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367802384 ALVNBJPSNGBDAR-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H]1C(C)(C)C 2367830061 FVURBGFUIJSNLB-IQUTYRLHSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@H](C(=O)O)C1 95086964 CTNXKIKWEUUBGC-HNNXBMFYSA-N 409.464 1.394 30 10 HDEE CC1=NN(C(N)=S)C(=O)/C1=N/Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 100150442 RXMFMKHTMWSNBI-HMMYKYKNSA-N 422.536 1.481 30 10 HDEE CO[C@@H]1C(=O)C(C(C)=O)=C(O)[C@@]2(O)C(=O)c3c(cc4cc(O)cc(O)c4c3O)C[C@@H]12 100303007 KIDUWMLDPAHEJH-NKTYFGPESA-N 414.366 1.042 30 10 HDEE in-vitro CNS(=O)(=O)c1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2C#N)CC1 301147761 HPFWPACZRWOHDD-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE Cc1cc(S(=O)(=O)NCCNC(=O)NCCOc2ccc(C#N)cc2)c(C)s1 435169034 QWUYEJOGATWXLL-UHFFFAOYSA-N 422.532 1.893 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1 435997646 CMAIOYFOAOBJGA-FTRWYGJKSA-N 408.520 1.950 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(CCO)C1=O 442278379 UAOOUAZIKGXMNA-DZGCQCFKSA-N 404.492 1.119 30 10 HDEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)[C@@H](C)O1 446059501 FNFOKZYPJAHIKF-BZUAXINKSA-N 413.478 1.953 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 460793908 MPSGYXARJQBNDV-ZACQAIPSSA-N 407.515 1.310 30 10 HDEE CCn1cnc(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 474051200 AVAAMAUQSYCYKH-UHFFFAOYSA-N 417.470 1.593 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c(C)c1 476071131 HKPSBGPQZOTIGU-UHFFFAOYSA-N 411.443 1.765 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(Cc2ccc(F)cc2)C1=O 480758138 NEPMJAQYYLGUJV-INIZCTEOSA-N 403.435 1.785 30 10 HDEE CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)nc1 481877920 ZYSFRTNMUKMFSB-UHFFFAOYSA-N 400.869 1.658 30 10 HDEE Cc1noc(CN2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)n1 483529732 IZWBBQIAODJXCA-CYBMUJFWSA-N 418.479 1.414 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 488269577 WEURSSBTBFQRPC-ZIAGYGMSSA-N 413.430 1.916 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(CC(F)F)[C@H](CC)C2)c1 498792035 RCTFHMHUDBDVEA-OAHLLOKOSA-N 401.479 1.952 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 508957392 ZHRABXKIOMFPEP-UHFFFAOYSA-N 419.489 1.672 30 10 HDEE CCNC(=O)COc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 515387475 GXVZNSRYAOQTSZ-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)CC1 524497960 ARDPIPVRPJKSMI-LJQANCHMSA-N 414.485 1.278 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 533884231 FAGKOVOXALKNTQ-QGZVFWFLSA-N 411.527 1.507 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1C#N 535508744 ZGYIUWLAGBEJKB-LLVKDONJSA-N 402.405 1.703 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1 544745542 IQDODLSGEHLJES-UHFFFAOYSA-N 415.537 1.115 30 10 HDEE C[C@@H](C(=O)O)[C@@H](NS(=O)(=O)N(C)CCC#N)c1ccc(Br)cc1 576458654 ACYQLWZVWMPKNN-ZWNOBZJWSA-N 404.286 1.891 30 10 HDEE Cn1cc(CNC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)nn1 585759904 LJHRUTIBSDOGPP-UHFFFAOYSA-N 406.450 1.425 30 10 HDEE C=C(C)COc1cccc(NC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 589791476 CLPLRCSIJFXDFL-UHFFFAOYSA-N 403.460 1.544 30 10 HDEE Cc1ccc([C@@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N2CCOCC2)o1 589839307 CAKXNKZVDYHPEC-LJQANCHMSA-N 424.505 1.760 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccncc2)c(=O)n1CCc1cccnc1 590051318 GRPVNWPCUYLYHA-UHFFFAOYSA-N 416.506 1.815 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609070829 QMYWRABTGQOZJB-KRWDZBQOSA-N 412.519 1.686 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)NCC#N 609411848 AIZUFLBLMCOJRH-UHFFFAOYSA-N 424.486 1.026 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)C2)cn1 610404743 WUNAFPBNTDHVKF-INIZCTEOSA-N 424.509 1.658 30 10 HDEE Cc1cc(NC(=O)C(=O)N[C@H](Cc2nccn2C)c2ccccc2)nn1CCC#N 611248304 OUGNJTOKWCHQAG-QGZVFWFLSA-N 405.462 1.877 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670211185 YKVLZFPCWXUBES-HNNXBMFYSA-N 424.461 1.723 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 679530147 DFRJATDZTNDMAM-IYBDPMFKSA-N 423.535 1.611 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 705679733 JXGPNKWMYWSNCM-IUODEOHRSA-N 415.899 1.718 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CSCc2cc(-c3cccs3)on2)CC1 728530657 LCJGSOYKMLATJA-UHFFFAOYSA-N 418.544 1.530 30 10 HDEE CCc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1cccc(Cl)c1 732155728 DGRSSBYALUCILP-ZPHPHTNESA-N 414.853 1.739 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccccc1N1CCN(CCc2ccncc2)CC1 733673003 KHNFMOQCJGXGPA-UHFFFAOYSA-N 405.502 1.524 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 734271097 DEMZLJCLMPIHBE-QGZVFWFLSA-N 413.522 1.504 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CCN1C1CC1 746665144 NUCRDZVKGAQLNE-GFCCVEGCSA-N 415.269 1.718 30 10 HDEE N#CC1CCC(COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 755977316 NTQWYUZJLJJEAX-UHFFFAOYSA-N 405.476 1.294 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)C(C)(C)O1 760551015 KCADXZCDQMXQTB-OAQYLSRUSA-N 412.494 1.301 30 10 HDEE COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 765369035 PERJIJWRJHHMSM-ZDUSSCGKSA-N 421.295 1.903 30 10 HDEE C#CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn12)[C@H]1CCS(=O)(=O)C1 774151601 AEMFGYJDTBTRMK-GJZGRUSLSA-N 421.548 1.355 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 774690399 SFYKDXIHDSQALW-MSOLQXFVSA-N 414.462 1.322 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 780928189 SMPHJJOVFWQHSW-HXUWFJFHSA-N 408.458 1.292 30 10 HDEE N#CC1(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1 784187004 MUWYOKPAKLGVTJ-UHFFFAOYSA-N 405.476 1.193 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)CN(/C=C\c3ccccc3)C2=O)n1 788364830 ABSYWXQQRAXGPR-XFXZXTDPSA-N 407.474 1.857 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)OCCO2 789966688 JYQATTOBYANCRH-CYBMUJFWSA-N 414.491 1.934 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2ccccc2)OC[C@@H]1C)c1cc[nH]n1 789971593 RTMKYNNITXDULK-YOEHRIQHSA-N 400.435 1.682 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCC2(O)CCOCC2)C1=O 795170541 APXSLXZCPSDQSA-MRXNPFEDSA-N 405.520 1.994 30 10 HDEE C=CCN1CC[C@@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1=O 798581014 ZXRPDQFAIVWXPQ-GOSISDBHSA-N 421.519 1.481 30 10 HDEE COC(=O)C1=C(COC(=O)[C@@H](C)n2cnc(C#N)n2)N(C)C(=O)N[C@@H]1c1ccccc1 798745276 QNOYHSLJBPVCSC-SJKOYZFVSA-N 424.417 1.077 30 10 HDEE CSc1ccccc1NC(=O)CN(C)C(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798746545 VYSVAYKYYDLYOF-GFCCVEGCSA-N 416.463 1.073 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 800439826 MOOTUJRMDCHOJQ-INIZCTEOSA-N 403.483 1.687 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 802625802 IEOHPPNNDAACIV-SUMWQHHRSA-N 405.426 1.350 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)(c2ccc(Cl)cc2)C1 802669266 RAIGRSNADPVCJS-UHFFFAOYSA-N 405.863 1.109 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 804458625 GKDVXGKUFGVYIG-XLIONFOSSA-N 417.465 1.668 30 10 HDEE CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780447 AKFXOSJNENTVEI-HEWTWTGNSA-N 421.498 1.603 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)C[C@H]21 814615039 HNOXHWJANAEUTO-UPTGKARQSA-N 420.491 1.382 30 10 HDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914552006 RFZPUVGSEDQBGB-NHYWBVRUSA-N 406.483 1.951 30 10 HDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=C/C=C/c4ccccc4)n3)[nH]c2n(C)c1=O 1084125106 VSDPMDCXWZNBNH-UAVYMXJMSA-N 423.462 1.341 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1C 1136120687 DSVWDWNDZDIFEK-UHFFFAOYSA-N 412.511 1.794 30 10 HDEE N#Cc1cc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)co1 1137408974 QNPVPLAVQDAFNE-GFCCVEGCSA-N 412.183 1.926 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1cccnc1Br 1137537879 YXXDKKQFKDMLMC-GFCCVEGCSA-N 401.268 1.786 30 10 HDEE COc1ccc(-n2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)cc1 1138110032 LNLLUZFOBICVNZ-XJKSGUPXSA-N 412.450 1.765 30 10 HDEE C=CC[C@@H](NC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1138147849 ZEWYLIQQMWWGBJ-AUUYWEPGSA-N 400.472 1.263 30 10 HDEE N#Cc1cn(CC(=O)NC2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=O)nc1O 1141552237 HUASDBBZPBIFBG-RKDXNWHRSA-N 412.290 1.846 30 10 HDEE COCCOCCc1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]1 1153859661 VSBGHWSAMATZRN-HIFRSBDPSA-N 407.471 1.104 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1158287503 CPKIUXXYMQTGGM-SFHVURJKSA-N 424.519 1.460 30 10 HDEE C#CC[C@@H](NC(=O)CCCCCn1c(S)nc2ccccc2c1=O)C(=O)OC 1161455199 PXLGBQBUMAYRSY-MRXNPFEDSA-N 401.488 1.927 30 10 HDEE CC(=O)N1Cc2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2C1 1208163320 VBLOKGOPWVOEOA-UHFFFAOYSA-N 411.487 1.326 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)C2 1227632594 ONUWSQFQRZRGCG-IBGZPJMESA-N 420.473 1.363 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2)nc1 1251357770 QLVKMRNALYOYKS-UHFFFAOYSA-N 410.869 1.724 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccsc2)cc1 1264609445 RURRUKPQLCUXRU-UHFFFAOYSA-N 418.504 1.847 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C(=O)OC)CCC3)ccc1F 1279113394 GZYLYYDKTBACRX-UHFFFAOYSA-N 422.438 1.472 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNS(=O)(=O)CC 1286283604 WGCALDWJTZVZGP-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#CCCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286359606 FMGTZWFINAKLFD-RTWAWAEBSA-N 403.527 1.695 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1286394293 NRRNXUIALWGVEB-YJBOKZPZSA-N 420.510 1.670 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1286409494 MRSGAPQYZYEOSO-GJZGRUSLSA-N 408.474 1.688 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2ccc(C)cc2n1 1286461743 WNVFRAWJPAXAON-UHFFFAOYSA-N 421.505 1.605 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(F)(F)F)CC1 1286474898 TXIUZLKUAJTGJF-UHFFFAOYSA-N 417.399 1.238 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnn(C)c2C)CC1 1286483213 CIQLLKKFAAPOLR-UHFFFAOYSA-N 419.533 1.745 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286790946 ZTBWRMRPTDYDBK-OAHLLOKOSA-N 404.515 1.636 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)C1 1287787688 IASHNFGETCFHEU-DLBZAZTESA-N 405.547 1.369 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1288505740 CEVZWPIDOCZRSU-CQSZACIVSA-N 411.510 1.577 30 10 HDEE CC#CCCCC(=O)NCC1(COC)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1288750131 UOQDGBIWJIYJHK-IYWGDAJJSA-N 402.535 1.975 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)Cc3ccc(C#N)nc3)CC2)cc1OC 1293311054 PXNABNYOLNBQLF-UHFFFAOYSA-N 408.458 1.934 30 10 HDEE CC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1293621182 BJXLHGTVROXPSQ-LQVYMMNQSA-N 414.510 1.761 30 10 HDEE CCN1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1296035727 DRCOYHVMANIUOI-QAPCUYQASA-N 411.466 1.924 30 10 HDEE Cn1cnnc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1298870524 BXNGUFOUDYITKA-OAHLLOKOSA-N 414.857 1.416 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300272053 KJNVUBQOSVHYNU-ZIAGYGMSSA-N 418.523 1.353 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1300488631 FRRPJXRIVGIIRB-SJORKVTESA-N 420.510 1.865 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300497327 YHPWEXYHNCFTCB-MRXNPFEDSA-N 424.567 1.035 30 10 HDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1301029050 FOTJHLAVPUOJHG-OAHLLOKOSA-N 405.842 1.378 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301257704 DEHXJHAIOQZXJJ-PMACEKPBSA-N 419.570 1.923 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1301412838 KTVMBKYHIGCBEJ-AWEZNQCLSA-N 422.436 1.988 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1302451922 PWDAHFYCPIKTMU-UHFFFAOYSA-N 413.482 1.235 30 10 HDEE C[C@@H]1CCCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305009707 KXNIBZYLBRPVMJ-HYLQGWQCSA-N 414.510 1.935 30 10 HDEE CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1305844716 AQPYKOKEQBKHLS-KBPBESRZSA-N 404.496 1.423 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H]2CCCN(CCCO)C2)c1 1309509094 CGXGZEHEBIYFMH-CQSZACIVSA-N 402.314 1.446 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1309666282 IRNONMCKUHFNRJ-SECBINFHSA-N 408.245 1.427 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OC 1309762288 SCICJWHNYPJFLP-GFCCVEGCSA-N 405.270 1.334 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1312836749 XMSFKDFCNACXJF-UHFFFAOYSA-N 401.540 1.774 30 10 HDEE C#CCN(C(=O)NC[C@H](Cc1ccc(F)cc1C)C(=O)NC)C1CCN(C)CC1 1312915568 APKJPJHZPTWGDU-SFHVURJKSA-N 402.514 1.778 30 10 HDEE COc1cccc2c1OCCC[C@@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1313233085 YEDAKRXGYPRGOB-ZUEVXXBESA-N 405.476 1.489 30 10 HDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1316385820 CYJDVCDTZBVGOR-AWEZNQCLSA-N 400.508 1.759 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)C1 1316526648 AFNKMYVHLBOADI-ZRGWGRIASA-N 406.462 1.114 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)nc1Cl 1351602574 YYNIMJZQITWTHF-UHFFFAOYSA-N 413.865 1.921 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(Br)cc1C#N 1356127034 ZTQWLUNIVCRNLO-OAHLLOKOSA-N 414.325 1.794 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCN(C)C 1358979840 ZFRAEXSTNKKFBG-HXUWFJFHSA-N 409.490 1.442 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1359036078 MDIFBQHZVLSRSL-UHFFFAOYSA-N 408.550 1.890 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359155043 JWTIRUXVPBJSGO-CVEARBPZSA-N 403.918 1.855 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359161103 PPVCTUQQWPHUFU-HXUWFJFHSA-N 418.519 1.660 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359207409 KATZDOOMSTVSHU-UHFFFAOYSA-N 408.510 1.976 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1359224619 XOPKGNICWHPJQC-FQEVSTJZSA-N 423.456 1.955 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1359238702 ULWPEWBEQUKNBM-QGZVFWFLSA-N 412.494 1.853 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1359291356 NFWKSGTUARRHTL-DLBZAZTESA-N 400.527 1.975 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(N(C)C)CCSC2)C1 1359318922 OYLIJQDPNCLBKT-OXQOHEQNSA-N 415.567 1.954 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nn(C)c(C)c2C#N)C1=O 1437098777 FGSNNLMZAHQSKR-HXUWFJFHSA-N 410.434 1.323 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1437249868 SQKGTVULFTXRJV-SFHVURJKSA-N 402.476 1.711 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1438919329 XAAOYUKIQDMXNV-UHFFFAOYSA-N 408.549 1.280 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1440423915 SZMAXZGTGBZDJY-UHFFFAOYSA-N 400.523 1.912 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1446141065 QBVSFHXXSIBVQO-LSDHHAIUSA-N 418.498 1.315 30 10 HDEE CN1CC[C@@H](N2CCC(NC(=O)c3cccc(C#N)c3Br)CC2)C1=O 1449177767 PSDLNUGLFUZTQD-OAHLLOKOSA-N 405.296 1.746 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1OC 1455384260 FHMASCHQMMTNAH-JFFDJDQUSA-N 423.487 1.366 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1461930854 CKEMEGCERGTNGU-INIZCTEOSA-N 403.504 1.392 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1=O 1463851130 HSAAVUHDENICIT-UHFFFAOYSA-N 402.252 1.377 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 1464305535 YCVSRMFIZVFLKZ-UHFFFAOYSA-N 404.307 1.975 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1 1464620493 VKQGRVDJPNXCAR-MRXNPFEDSA-N 410.511 1.959 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1464904600 CNPKCHGMAOJRSF-UHFFFAOYSA-N 404.515 1.840 30 10 HDEE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466901774 KWLJVISSEDPFFG-SBTCKYBLSA-N 421.494 1.298 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1468558746 WYTUVMMUIXGREO-GOEBONIOSA-N 416.337 1.543 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 1470956661 LLKYWTUQSZEMSW-WMZOPIPTSA-N 404.486 1.908 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1472563215 BEFAUVOZJZSXCU-PBHICJAKSA-N 406.508 1.486 30 10 HDEE COCCOCCN1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1473601626 BMNPVZNAWSLMKI-UHFFFAOYSA-N 406.552 1.718 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)cc1 1475310086 PZZLQJIIKZRLNV-UHFFFAOYSA-N 414.483 1.862 30 10 HDEE C[C@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1478603796 LILFKIVPHUFNRD-GBJTYRQASA-N 403.487 1.625 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1478780170 JKQCEFICTZWZCN-HNNXBMFYSA-N 419.503 1.276 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CCN2C1=O 1478900596 CEPOIVWTEUFPHV-IBGZPJMESA-N 424.505 1.201 30 10 HDEE Cc1nc(-c2ccc(Cn3c([C@H]4CCC(=O)N4)nnc3N(C)C[C@@H](C)C#N)cc2)n[nH]1 1492660612 QYTFKTYMNBTZFU-SUMWQHHRSA-N 419.493 1.967 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)[C@H]1C 1493919688 DFWPBRXAVGZBMB-GJZGRUSLSA-N 402.524 1.943 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)O1 1497478224 VUHWMBXLZAPTRG-OIPACUDHSA-N 412.560 1.832 30 10 HDEE CCOCc1nnc(N(C)Cc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1503015615 BADDLDAJIPZAOI-VXPUYCOJSA-N 410.478 1.977 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCc4c(ccnc4O)C3)n2CCOCCCO)cc1 1505315516 NMIUOKNJVOZMCA-UHFFFAOYSA-N 420.473 1.879 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCOCC(F)F)CCN1C1CC1 1505322621 RPMHGYZOBHIHNI-INIZCTEOSA-N 403.437 1.798 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507573210 FKIRPKBAZLOYTM-ROUUACIJSA-N 422.599 1.614 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1507741330 PZOSQVWFEZHHRV-HRAATJIYSA-N 405.543 1.578 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@@H]1CC 1507843581 OJHNDQYSJMVHCM-HNNXBMFYSA-N 416.482 1.313 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc(C)s1 1508037057 USUQLNPMFHQERK-UHFFFAOYSA-N 405.528 1.556 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1508086902 ABFYODFXZTVCCJ-INIZCTEOSA-N 423.525 1.350 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1508388877 GPKNKSUWVLALTN-AWEZNQCLSA-N 418.523 1.613 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1cnn(C)c1C 1513922581 CCJOGCQVHRGFPT-AWEZNQCLSA-N 406.498 1.308 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CC=CCO1 1516591597 CLTKYBDMGVEYMV-IRXDYDNUSA-N 424.509 1.536 30 10 HDEE CN(Cc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1517164665 QPFJPOHLOVMJFW-RBUKOAKNSA-N 405.462 1.783 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1 1519324906 IHUQJLFEMASEQY-FUHWJXTLSA-N 401.467 1.810 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1F 1519332321 YQEXDPYPRIXFEC-YOEHRIQHSA-N 419.457 1.927 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc(OC)c1OC 1521186246 VNHGQMGVFBMZOV-ZDUSSCGKSA-N 420.447 1.474 30 10 HDEE N#Cc1ccccc1Sc1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1525755028 ISZNMMLXBVUSRG-HNNXBMFYSA-N 401.469 1.561 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1526236454 XKHZKCADMIQPIU-CABCVRRESA-N 413.927 1.986 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 1533941557 CTMOQCOELOVZEH-MRXNPFEDSA-N 414.425 1.905 30 10 HDEE O=C1COCCN1CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538725943 DELQIRDKHODWAW-YUMQZZPRSA-N 410.261 1.475 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1539202378 HOGJKAWFMDJHGW-QGZVFWFLSA-N 421.567 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](OC)C2CC2)CC1 1539477406 LNNGFICRSNVMJG-GOSISDBHSA-N 409.494 1.126 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1539557459 UMVKQCAZEQHVLW-SUMWQHHRSA-N 402.467 1.454 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c(C#N)cc2C1 1539778968 ZWPPYNPEQWNKCP-GFCCVEGCSA-N 409.471 1.755 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1540169482 DXHWSUHVJMTMIC-KRWDZBQOSA-N 417.535 1.917 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c1 1540298511 QWUPGESVKPHWNQ-UHFFFAOYSA-N 415.519 1.869 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CC2(n3cnnn3)CCOCC2)CC1 1540472545 RFXPIDXMXXZGOM-SFHVURJKSA-N 413.457 1.117 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccsc2)nnc1[C@]1(OCC)CCOC1 1540876747 ZOKCWRDQUGALPY-IBGZPJMESA-N 405.524 1.930 30 10 HDEE CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1542161986 ZJTTZEDJUJASCR-CSUZIONRSA-N 423.539 1.911 30 10 HDEE N#Cc1cn(CC(=O)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(=O)nc1O 1542831273 NERDZOOTPOXYLV-UHFFFAOYSA-N 408.345 1.818 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1543316099 XCPCUUWZEYDJGM-QZTJIDSGSA-N 424.553 1.679 30 10 HDEE C#CCN(C(=O)C[C@@H]1CC(=O)NC1=O)[C@H]1CCOc2ccc(Br)cc21 1543685735 MTKSFUSFPLQFNI-FZMZJTMJSA-N 405.248 1.787 30 10 HDEE C#CCSCC(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1543827397 BVQPOVCWNBHAFI-UHFFFAOYSA-N 410.337 1.898 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 1544352310 RETUKLIHGQNRJY-YOEHRIQHSA-N 400.431 1.699 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1555557475 UOEHXWGMPAUFIU-FXAWDEMLSA-N 415.498 1.383 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Cl)cn1 1555995315 DHDRPWLDKHFDQZ-HNNXBMFYSA-N 402.890 1.909 30 10 HDEE C=CC[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C(=O)OCC 1556153996 OSGVUWIHZCCIEG-OAHLLOKOSA-N 417.491 1.784 30 10 HDEE CNC(=O)COc1cccc(CC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1557243259 PQLRWLLDDOFUCH-HXUWFJFHSA-N 406.486 1.963 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)c2cccc(C(F)(F)F)c2)CC1 1558072848 GJYFUFIPPAHAHU-WYMLVPIESA-N 415.437 1.721 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1558294419 QSOZTZUDOGICFP-HXUWFJFHSA-N 402.451 1.819 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 1559196030 DQUMBXWCKDXVCI-UHFFFAOYSA-N 407.477 1.388 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3c(F)cccc3N3CCCC3)C[C@H]1CS(=O)(=O)C2 1564737977 NDGYQJWYPFSVFV-LIRRHRJNSA-N 406.483 1.506 30 10 HDEE C#CC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 1570218940 NVIAFSAVYKPDTK-VGSWGCGISA-N 407.426 1.288 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1570219087 RTCCFSYLHZOLIO-GHMZBOCLSA-N 404.897 1.236 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588006398 LNYNRVOTGNDXQH-QGZVFWFLSA-N 406.490 1.523 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(N(C)C)CCSC1 1588012087 VHAOXISIXXWHCY-LJQANCHMSA-N 418.592 1.776 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)C(C)(C)C)CC1 1588732834 HLOUMGWVWPIFPA-KRWDZBQOSA-N 402.543 1.330 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1593763421 JUDIRHCMLWVETE-UHFFFAOYSA-N 405.499 1.383 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCOC(C)(C)C1 1595296304 CMQKDVFARWGDDP-GOSISDBHSA-N 407.559 1.922 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(OC)cc2C1 1595537407 QNMMQXMFDFKRGD-QGZVFWFLSA-N 410.478 1.103 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 1595569240 COFASAFTAFSZPC-UHFFFAOYSA-N 412.494 1.254 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@]3(CCOC3)O2)C1 1595665254 QYAHGAWWJZUJHN-CBGDNZLLSA-N 419.526 1.536 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)NC)C1 1595700278 MCOAVVKHIZQUSR-QGZVFWFLSA-N 421.523 1.284 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1595895679 OCFIPKRZHZRBAH-INIZCTEOSA-N 403.556 1.726 30 10 HDEE C=CCCC[C@@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1596244880 RKYOPMWJEOCALF-HUUCEWRRSA-N 411.499 1.516 30 10 HDEE CCOC(=O)[C@H]1S/C(=N/C(=O)CCS(=O)(=O)Cc2ccccc2)N(C)[C@@H]1C 1615629199 GZHSMDIYMAERAA-HZXHBTMASA-N 412.533 1.873 30 10 HDEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 1617215736 HTMYCWLHEQLKLS-QRWLVFNGSA-N 414.506 1.897 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CCO1 1619737030 LSXJRFZGMAAZPR-GOSISDBHSA-N 401.467 1.067 30 10 HDEE COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@H]([C@@H]2CCCO2)C1 1620605159 AQJFJTAHOUHUPL-ZFMNYDKASA-N 402.491 1.925 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C(=O)OC 1622226482 TUVDMLDCFZTABS-CYBMUJFWSA-N 418.265 1.469 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)CC1 1622372224 HKZLAIGCDFNGBA-UHFFFAOYSA-N 404.492 1.240 30 10 HDEE CO[C@H]1CCn2cc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)nc2C1 1624276935 FNHFUIDMNNQCDB-INIZCTEOSA-N 419.489 1.846 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)cc(OC)c1OC 1627173553 BOLCYDCGPYHVHC-FFSVYQOJSA-N 423.466 1.667 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1627843054 MPZFUQWEUQRJIP-QGZVFWFLSA-N 417.510 1.968 30 10 HDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1(N2CCOCC2)CCCC1 1629078648 ACVSTOQQGVKDCL-OAHLLOKOSA-N 423.510 1.886 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)c1 1630765730 INIYYZDRJGDIEN-CTNGQTDRSA-N 422.460 1.525 30 10 HDEE COc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cnc1OC 1633123965 MQTAEJTVMXKYKC-UHFFFAOYSA-N 404.448 1.556 30 10 HDEE C=C1CCC(CNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 1634135608 NCQUHDHIOMVBDW-UHFFFAOYSA-N 400.522 1.231 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1634818014 LWCAZVMSIFNSKH-UHFFFAOYSA-N 401.529 1.129 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)c(C)ccc3[nH]2)CC1 1634876272 JNJMCEPVPALGML-UHFFFAOYSA-N 417.307 1.746 30 10 HDEE CO[C@@](C)(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1635702031 YOJXIDVTJCPBTP-IERDGZPVSA-N 401.463 1.522 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2CC(c2noc(C)n2)C3)c1 1636449888 NTHCFLKQKRQSFN-IRXDYDNUSA-N 414.487 1.840 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1637357925 YYMLQZWKLQXJMO-CQSZACIVSA-N 421.475 1.658 30 10 HDEE COCCN(CC#N)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 1638463543 QLBPQFZMSGZTOW-UHFFFAOYSA-N 404.286 1.116 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1638873417 NTRUVFTVOHRFJT-INIZCTEOSA-N 406.504 1.778 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1638946236 ZVUVLWWKVFGSSR-IBGZPJMESA-N 416.503 1.829 30 10 HDEE C#CCN(CC(=O)NC1CN(C(=O)OCc2ccccc2)C1)C(=O)OC(C)(C)C 1638960644 QLZIHUWBKYNHRL-UHFFFAOYSA-N 401.463 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033412 ATWMKYVWUPPQFL-AWEZNQCLSA-N 405.455 1.116 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C(=O)N(C)Cc3ccccc32)s1 1641677941 YQVYVVXZSUGGKN-GOSISDBHSA-N 419.528 1.584 30 10 HDEE CCO[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CN(C)C 1645024411 BTGJAZKNQRAODF-GWWPLSDWSA-N 408.543 1.856 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)CC1 1645714298 XZTNCVNZUJFJNJ-UHFFFAOYSA-N 401.467 1.869 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1648640936 FDYKYJVHWJRYEZ-WDNDVIMCSA-N 402.455 1.169 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1648719365 LRXAWRXCFIBSHB-HRAATJIYSA-N 416.478 1.922 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cccc(NC(C)=O)c3C2)c1 1648724370 NGTBKAJCVPWTHQ-UHFFFAOYSA-N 411.483 1.755 30 10 HDEE C=CC[C@@]1(C(=O)NCCN(C)CCS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1651247076 ZRMKQAAYUVXQQE-IBGZPJMESA-N 417.572 1.425 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1652173426 RWCQMPTWCNJYFJ-FUHWJXTLSA-N 406.571 1.426 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCCc2ccccc21 1652653962 XEWFDEQSNXJHSE-RBBKRZOGSA-N 409.530 1.707 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1654219749 IRHDHARGZYDEOQ-BGYRXZFFSA-N 402.454 1.291 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1655200381 WIGHLYIORBCWNT-VGSWGCGISA-N 414.554 1.936 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1663316299 OIHYRJOXPVIGED-SNVBAGLBSA-N 412.327 1.458 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 1666567516 ZIPKBNKTMMEBCB-ZDUSSCGKSA-N 410.517 1.117 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 1671459498 RUYIBKLIQLUQSU-GFCCVEGCSA-N 417.325 1.842 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@@H](C)O1 1671459667 HVZIKZYBODVYBD-HZPDHXFCSA-N 421.523 1.256 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)c1 1673637568 YZGGAVDAZBDWNX-UHFFFAOYSA-N 412.515 1.608 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCOCC2=O)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1675129573 YWPUADADSYZIBX-MRXNPFEDSA-N 405.476 1.012 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)C2=O)cc1 1681302357 XGESYACRWLWCTD-UFYCRDLUSA-N 411.506 1.294 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1682742342 HUDGRIDCIRZCHO-GOSISDBHSA-N 402.462 1.972 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H](C)O1 1683533300 YHTOCHODGXNZBJ-BEFAXECRSA-N 400.479 1.495 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCC#C[C@@H]3CCCCO3)nn2)C1 1687536174 UWKFXGGUURVMHF-KRWDZBQOSA-N 418.498 1.442 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C)C1 1690726918 QKWZGNJQOWUWOV-KRWDZBQOSA-N 420.535 1.726 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1694327978 VMYOCGHHRIPKIM-JLTOFOAXSA-N 419.505 1.553 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1698239536 YYRYAHBQNOVQNN-VJANTYMQSA-N 419.526 1.794 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2nccc(C(F)F)n2)cc1 1698487822 BMZQUIUUAKFBFF-UHFFFAOYSA-N 424.415 1.919 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1705474392 GXPGVUAWYPQNSA-OAHLLOKOSA-N 405.462 1.613 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)NC 1705498939 HKEXXXWVUNVUIB-OAHLLOKOSA-N 405.524 1.079 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncn(C)n1 1705592436 WVNJKCKTBGHOJP-UHFFFAOYSA-N 413.283 1.675 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CCCC2)CC1 1705634152 LKFFTXBWHFLVMJ-UHFFFAOYSA-N 409.494 1.704 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2nccc(C(F)F)n2)CC1 1705640714 BSMYHXDQUBIWGE-UHFFFAOYSA-N 424.459 1.795 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705662425 YKRYGRHIGLBUNF-WCXIOVBPSA-N 424.592 1.408 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1705662913 PSBKWKGGRXACLH-GOSISDBHSA-N 414.579 1.787 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)CC1 1705770429 FRXYBHIEHAWQLX-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1705829797 CCASRGBIBXFCKX-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](CC)C1 1705896732 WPTOFEZHJIWCSY-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(c2nc(C)no2)CC1 1705908389 ATZKTPISGWMTMK-OAHLLOKOSA-N 401.471 1.507 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1705948527 WGEQIFNQQDYHMK-INIZCTEOSA-N 418.567 1.521 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1706058618 HGNMAJXVRKHATR-VQTJNVASSA-N 424.505 1.727 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)nc2)CCO1 1712883763 YQDOBDOSFXXCSG-AWEZNQCLSA-N 401.858 1.340 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1722353119 RVVQBVFSCHREIB-OXQOHEQNSA-N 402.520 1.547 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1722366579 IABUGGFCPNPHGA-GOSISDBHSA-N 416.551 1.837 30 10 HDEE C#CCN(c1nnc(CC)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1722369050 YAVFBQOLTVVHBT-SFHVURJKSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1722387358 UKUACQKLIBTRGI-LJQANCHMSA-N 415.544 1.210 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCNS(=O)(=O)CC 1722393536 DKLNFDNQGMZQRR-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1722447845 NQDXPRVVRLCPSX-UHFFFAOYSA-N 421.505 1.660 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COC)C1 1722495500 XHQIXGFRMQJVHH-SQNIBIBYSA-N 403.527 1.968 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722677813 OCEUMCAWSNTYDE-XLIONFOSSA-N 402.499 1.656 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@@H]1CCOC1 1729351136 GCAIHXYXADRHQA-WOJBJXKFSA-N 410.522 1.889 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@H]1OC 1729707052 IFHCNCGJTZUSGE-QZTJIDSGSA-N 412.494 1.441 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC=CCC2)C1 1731009970 GLIBATUSDXZIHL-QGZVFWFLSA-N 412.519 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1 1740540471 WAGKUWQNDSFUIX-XOBRGWDASA-N 402.520 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1740554052 VVUJYNQFACRNAY-RHSMWYFYSA-N 421.523 1.327 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1740615837 MDVVFDOZOVZAFF-HNNXBMFYSA-N 423.539 1.045 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1740628851 VLIWNHUQJQLZDJ-IRXDYDNUSA-N 422.551 1.258 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCCN1CCN(CC)CC1 1740640201 ZWRLGIPHMJIJEK-OAQYLSRUSA-N 412.582 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1740640562 PUBNFUVNSGDWDN-LBPRGKRZSA-N 406.455 1.506 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1740657440 SEYVNVKKLFYTRF-IBGZPJMESA-N 403.486 1.579 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@]2(C)COCCO2)n1 1740687884 NRQKHHHUEKUQIY-NRFANRHFSA-N 416.526 1.690 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2COCCO2)CC1 1740696713 CQJHYRRWEPGWEK-LJQANCHMSA-N 415.925 1.693 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCC2)CC1 1740704722 SJKYHVIJPCTABW-UHFFFAOYSA-N 408.506 1.529 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1740792930 CVHDJWCPFDENPK-UHFFFAOYSA-N 414.510 1.152 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740850669 JDCUVJWPQUFQNO-DOTOQJQBSA-N 423.583 1.840 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1)C1CC1 1740906537 PLKUALLVFFMWKN-LSDHHAIUSA-N 419.555 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(OC2CCCC2)CC1 1740957652 WCZDKTXQXSDMHN-UHFFFAOYSA-N 411.510 1.965 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1741033514 ASADVQUEYAAKNV-UHFFFAOYSA-N 418.505 1.966 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCCCCC1=O 1741634753 HKDKQFLICKRMPK-MRXNPFEDSA-N 403.531 1.947 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(C)OC[C@@H]1C 1748278171 FYQQTFYEKZDNAZ-HNNXBMFYSA-N 412.494 1.869 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1748724580 FQNRKDHXLWGHDM-GOSISDBHSA-N 414.554 1.897 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1748764356 MAFBMMHHXDUCMV-HXUWFJFHSA-N 404.515 1.195 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1Cc1cccc(N2CCOCC2)n1 1748898914 YUTHYYPJOYTUSJ-UHFFFAOYSA-N 404.518 1.973 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1748930049 WOUAXCOEMWPNNC-OAHLLOKOSA-N 423.395 1.929 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCC[C@@H](C)C1 1748947922 AGKJZYCFNWQIJJ-MOPGFXCFSA-N 416.570 1.721 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nc(C)c(C)s1 1748948480 OOZSKTMRIZEHEL-UHFFFAOYSA-N 402.524 1.722 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC(=O)N2)CC1 1749011178 XLXUVXILHGLLRQ-GOSISDBHSA-N 420.517 1.498 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC)C1 1749021902 CBCSNGOJDBVTOC-LSDHHAIUSA-N 415.585 1.260 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCC2=O)CC1 1749222437 IJWJZRRDQYALCS-UHFFFAOYSA-N 411.510 1.919 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749266817 LVEBUTHUPWOFJJ-UONOGXRCSA-N 408.890 1.745 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1749668997 BILIOALFEUJEEY-AEFFLSMTSA-N 424.505 1.534 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1750256001 DGBMAYIHKBJQAG-BBRMVZONSA-N 412.585 1.914 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)COCCO1 1751304344 WLGAJPWVMNWHCV-DYESRHJHSA-N 410.478 1.324 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1760201089 HHPNMZRLBADVOM-JOCHJYFZSA-N 424.574 1.564 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(COC)CCOCC1 1760247782 OZRQMBOEZNXHEJ-UHFFFAOYSA-N 400.483 1.264 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@](C)(O)C(C)C)CC1 1760268710 WCEBMVSRYBBRIX-JOCHJYFZSA-N 410.522 1.713 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760322713 WONDAAXOBMDOMX-NRKLIOEPSA-N 412.531 1.956 30 10 HDEE C=C(C)COCCn1c(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1760361782 SLZDFEGMEIIWPD-KRWDZBQOSA-N 418.586 1.957 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(CC)S(C)(=O)=O)CC1 1760387661 SBVGIAHTZOSCIE-OAHLLOKOSA-N 410.544 1.057 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1760521787 DBIFQGKKRACGSC-UHFFFAOYSA-N 411.572 1.572 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1762058696 RPTVWLSZTUCOAC-CGTJXYLNSA-N 415.542 1.611 30 10 HDEE CCc1nnc(N(C)CCCc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1762890045 ZUXYOVPWLDGAHE-FMQUCBEESA-N 409.494 1.831 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1768811930 TUMOJKVNSBUWTJ-GOSISDBHSA-N 412.494 1.845 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1771050718 YXWIZPABIKVFGX-IBGZPJMESA-N 407.478 1.955 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1771188785 QUHPRFLKVRWVMT-BIENJYKASA-N 408.478 1.359 30 10 HDEE CN1CCN([C@@H](CNS(=O)(=O)c2ccccc2C#N)c2ccc(F)cc2)CC1 1848962269 SQCOJNZDHGLCCJ-IBGZPJMESA-N 402.495 1.964 30 10 HDEE CC1(C)NC(=O)C[C@@H]1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852770576 NKPUALDHLXESBU-QZTJIDSGSA-N 401.463 1.096 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)cc1 1853158208 PLZXMQOBEIDZEE-ZDUSSCGKSA-N 404.430 1.590 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1853332295 QSUCSKOIXNORKC-SNVBAGLBSA-N 405.402 1.460 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)NCC1CCN(S(C)(=O)=O)CC1 1853339930 PXRIEQOSFITACF-UHFFFAOYSA-N 400.932 1.963 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cccn3ccnc23)C1=O)[C@@H]1CCN(C)C1=O 1854140551 QNTVLPZEHBIPNM-ZWKOTPCHSA-N 409.490 1.574 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CCN1CCCC#N 1854270571 WNQFOGYVJWBGRD-DZGCQCFKSA-N 406.870 1.879 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)c3cncc(F)c3)C2=O)CC1 1855985679 YVTMJHSTBFJYNE-SFHVURJKSA-N 408.437 1.441 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccccc2Br)CCN1S(=O)(=O)CC#N 1856107713 GJIWWPFZLCLOBC-UHFFFAOYSA-N 414.281 1.365 30 10 HDEE Cc1c(C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)cnc(N(C)C)c1Br 1856552585 IPWDSNTUMPSODC-CYBMUJFWSA-N 408.300 1.805 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2onc3c2CCCC3)C1=O 1856721817 KOYMWJWTHOUHEV-IRXDYDNUSA-N 400.479 1.403 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 1856890343 XPMDJNJZVOVPTO-CABCVRRESA-N 423.922 1.514 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncoc2C(C)C)C1)[C@H]1CCN(C)C1=O 1857068443 NXFFSHLODLALOU-CVEARBPZSA-N 402.495 1.896 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1ccnc1 1857074092 BCHZBFCEDUKUNG-AEFFLSMTSA-N 407.478 1.051 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CC1=O 1857193426 GDCXJSZQAIJOPT-MRXNPFEDSA-N 407.478 1.491 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)nc2ncnn12 1857327491 VROFJNDYTHEZFK-MRXNPFEDSA-N 409.494 1.789 30 10 HDEE CN1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCC1=O 1857507425 UZIUQILVDOLOJJ-INIZCTEOSA-N 416.909 1.949 30 10 HDEE CCOc1cccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1860734948 XGAYOMWXOMEVOH-DHZHZOJOSA-N 402.472 1.674 30 10 HDEE Cc1ccc([C@@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867601025 JDFYPYHKHWHGNM-RDTXWAMCSA-N 414.487 1.866 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(CC)CCCC)n1 1871507104 HVEBBBFWMJWWPI-UHFFFAOYSA-N 405.528 1.909 30 10 HDEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 1874341931 WHFTXKHWGUETRJ-DGURAOSJSA-N 419.507 1.683 30 10 HDEE COc1cc(S(N)(=O)=O)cc(C(=O)NCC#CCN(C(C)C)C(C)C)c1OC 1889914392 ILEDZZRQCTXDHZ-UHFFFAOYSA-N 411.524 1.203 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(N(C)c3cc(C#N)ccn3)CC1)CS2 1891354982 JPFAUIUECOHNDF-MRXNPFEDSA-N 424.530 1.668 30 10 HDEE CC#CCN(CC(=O)O)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1900610349 ZEDNTWYCDSNSCS-UHFFFAOYSA-N 417.506 1.950 30 10 HDEE N#C[C@H]1CN(C(=O)c2cnc(NN)c(Br)c2)CCN1Cc1ccccc1 1914892529 QJPZRROSVPEGPA-HNNXBMFYSA-N 415.295 1.980 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2ncc(Br)cc2C#N)C1 2054439073 ZRMHNGVZNADEKN-UHFFFAOYSA-N 410.272 1.627 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)CC1 2118162566 KLWUXNUOTWDEBR-GOSISDBHSA-N 422.507 1.094 30 10 HDEE C=C(CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)CNC(C)C 2165100212 OXPRTJMNDWNGMD-MHZLTWQESA-N 403.593 1.953 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174780744 XTGUGZFSJPHJTH-CABCVRRESA-N 401.529 1.966 30 10 HDEE C[C@@](CNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(CC(=O)O)C(F)F 2180573160 BQSHWQMWRKIJNW-VHSXEESVSA-N 402.238 1.848 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(N)cc1C#N 2205584816 JVJKROZKESYPAZ-ZIAGYGMSSA-N 412.537 1.770 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@H](C)S(C)(=O)=O)s1 2237642714 ZMLLXCPSODWNCK-LBPRGKRZSA-N 401.359 1.747 30 10 HDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822897 JPRFZBRKOXAZKG-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247918737 MWZIVONFVBZTFD-JSGCOSHPSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)COC1 2247926573 UFPIVPHZJHMUMK-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247927105 CGFWVRZSTHNYBE-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267376128 RAMZOAWVHPHJJY-JNDILOIQSA-N 407.388 1.483 30 10 HDEE Cc1c(C(=O)NC2CCC3(CC2)OCCO3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281809300 ZAQNCHGLFZCJMO-UHFFFAOYSA-N 405.304 1.443 30 10 HDEE CC1(C)OC[C@@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@@H]1O 2281937102 VSZGZXORNOTUDR-MFKMUULPSA-N 401.721 1.969 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@@](O)(CN)C3)c2Cl)OC1(C)C 2281937887 GDEBBKCCCQNWFY-QGZVFWFLSA-N 400.737 1.627 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CC[C@@H](S(C)(=O)=O)C3)ns2)OC1(C)C 2282010591 YVDBBIMCVGJCNH-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CCN(C1CN(C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282323505 BWZKZAHLUBLIHH-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE CC[C@H]1NCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282420026 UDTZZAAJZHEDTR-ZIAGYGMSSA-N 400.375 1.607 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282497367 OTOZTVQOPJKFOH-CQSZACIVSA-N 402.391 1.912 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](C)[C@H]1CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282509057 FOYJRXAWKBWSMH-KBPBESRZSA-N 407.363 1.307 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282523335 XDHOBCWLJRALTB-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC(C)(CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282829599 HDOHRPNFTFVMDL-UHFFFAOYSA-N 422.765 1.491 30 10 HDEE CCNCCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282837549 VNIFZIXBNDQVJE-UHFFFAOYSA-N 402.753 1.917 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CCC(=O)N3)cc2Cl)OC1(C)C 2282845417 SJBMIJFCXZDWJQ-VIFPVBQESA-N 420.749 1.258 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C=CC(=O)O 2284405233 IEOGTQRHANJECL-SNVBAGLBSA-N 401.315 1.663 30 10 HDEE COC[C@](C)(NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284432532 ANCGIDORWFRVIJ-INIZCTEOSA-N 403.693 1.920 30 10 HDEE COCCN(C[C@H](C)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2288011268 TWKSBFXMJVFZPJ-LBPRGKRZSA-N 405.347 1.065 30 10 HDEE CN1CCN(NC(=S)NN=Cc2cc(Cl)cc(Br)c2O)CC1 2330469727 GGZAATGSZADXAK-UHFFFAOYSA-N 406.737 1.769 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1[N+](=O)[O-] 2330742680 TXBQJXDHMXHZGL-UHFFFAOYSA-N 419.467 1.323 30 10 HDEE CCc1csc(C#C[C@H](O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363984360 BJFFJLUBEBVZDE-CABCVRRESA-N 414.549 1.842 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365200667 ADWRRVXMCYMLQF-JKSUJKDBSA-N 402.557 1.802 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@]2(N)C#CC(C)(C)S(C)(=O)=O 2365254682 QGXQLRWYSBUQDA-IZUZZMAOSA-N 400.541 1.460 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370299686 MRCTYFOUAWOEBE-HZSPNIEDSA-N 400.412 1.827 30 10 HDEE N#Cc1ccc(OC[C@H](O)COc2cccc3oc(-c4nn[nH]n4)cc(=O)c23)cc1 5844032 AQMBNKMVOOFSOJ-ZDUSSCGKSA-N 405.370 1.663 30 10 HDEE in-man CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)Nc1cccc(C#N)c1 7007130 LJEOMCQQNKSJCN-UHFFFAOYSA-N 404.448 1.597 30 10 HDEE COc1cc(/C=N\N=C2/NC(=O)[C@@H](CC(=O)O)S2)cc(Br)c1OC 33430578 VGLFMKCOXVRLHC-GJRQGDOSSA-N 416.253 1.863 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S[C@@H](C)C(=O)OC)CC1 55078396 ZTRXZUGTFUKZFG-HNNXBMFYSA-N 405.520 1.400 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3ccc(Br)cc3[nH]2)CC1 57194346 PALMVEIRNTZAKA-UHFFFAOYSA-N 405.296 1.990 30 10 HDEE N#C[C@H]1CNCCN1S(=O)(=O)c1ccc(Br)cc1Br 97999150 OLDXNVXDHQQLSA-VIFPVBQESA-N 409.103 1.698 30 10 HDEE C=CCN1CCN(S(=O)(=O)[C@H]2CON(C)[C@@H]2/C=C/c2ccc(OC)cc2)CC1 107831723 ASOJJEWXHUCXRW-YECZOLDGSA-N 407.536 1.456 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 108492328 CPGXBCDSIADOFA-NRFANRHFSA-N 416.485 1.831 30 10 HDEE C=CCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 223256922 RUZLEKUIXNODKZ-MTHXSQLBSA-N 416.423 1.052 30 10 HDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254509866 PRWSMYRCUIFQAY-ZIAGYGMSSA-N 412.489 1.552 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)C1=O 410117852 JLAZFEGEKNFLQY-SFHVURJKSA-N 407.536 1.724 30 10 HDEE COc1cc(Br)ccc1CNC(=O)C(=O)Nc1nn(C(C)C)cc1C#N 427085153 CTZUDZDSMZGILF-UHFFFAOYSA-N 420.267 2.362 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(N3CCOCC3)ccn2)cc1 439466087 GOTQNYLUKFCDNV-IBGZPJMESA-N 423.498 1.944 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCC3CCC(C#N)CC3)cn2)C[C@@H](C)O1 441659399 FSYXGPOFHNXPGC-RYTJFDOTSA-N 402.499 1.970 30 10 HDEE COc1c(F)ccc(F)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445642029 KCHAURDGGIDQAW-UHFFFAOYSA-N 421.425 1.992 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 460368084 DTKUBGKBTTVGLR-GDBMZVCRSA-N 407.482 1.587 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCCn2nc3n(c2=O)CCCC3)cn1 462092109 VXOBPBPVVCIONV-UHFFFAOYSA-N 407.438 1.045 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCc3nc[nH]c3C2)nn(-c2ccc(F)cc2)c1N 462350660 BJOGMGKVUXZNLJ-AWEZNQCLSA-N 422.468 1.978 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CC2 480136455 OPACRMQPALNQSI-DOTOQJQBSA-N 408.510 1.903 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)S(=O)(=O)Cc1ccc(C#N)cc1F 480731176 LJYMAWNWBLWMHJ-UHFFFAOYSA-N 401.419 1.755 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C#N)c(C)n4)CC3)C2=O)n(C)n1 505844636 HOAGYXKLOOHKAV-LJQANCHMSA-N 421.505 1.257 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@]2(CCOC2)C1 508510741 RUIUUDJRGLHFDV-IBGZPJMESA-N 418.523 1.420 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(CC)n2)c1=O 523733416 DRTMJEVEXNBXEF-UHFFFAOYSA-N 417.556 1.837 30 10 HDEE C[C@@H](C#N)CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 533141334 HSIQVMMXRMTKEX-AWEZNQCLSA-N 407.492 1.667 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 533377869 BZKBMURXTFCXCI-SFHVURJKSA-N 403.571 1.594 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3ccc(-n4ccnn4)cc3)CC2)o1 538233477 NGZONUUDEHPCME-OAHLLOKOSA-N 420.477 1.435 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cnc21 541140296 JRXLROIVGULSIT-UHFFFAOYSA-N 421.804 1.997 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)CC1 554005513 GWTUPFOARDQBDU-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 555330439 ZNMYGCRUMKHVCY-WMZOPIPTSA-N 415.490 1.225 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)ccn3)CC2)c1 555539890 GIPNOLGEGDPSEO-UHFFFAOYSA-N 416.459 1.117 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 558562315 FDOQCXIBOSIVGC-UHFFFAOYSA-N 419.894 1.234 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)N[C@H](c2ccc(OC)cc2)c2nccn2C)CC1 559540185 BRCSSPKASPHHTN-LJQANCHMSA-N 411.506 1.401 30 10 HDEE COc1cc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)ncn1 561240825 TZXDKJLFXAHLCN-MRXNPFEDSA-N 410.453 1.671 30 10 HDEE N#CC1(CS(=O)(=O)NCCN(C2CC2)S(=O)(=O)CC2(C#N)CCC2)CCC1 576624028 AZMTXQKIRYMGHT-UHFFFAOYSA-N 414.553 1.088 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 580057980 ZOZRYGAMNXMXLH-UXLLHSPISA-N 408.499 1.358 30 10 HDEE CCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 583254459 HTGYMXBCYTVQJF-UHFFFAOYSA-N 413.503 1.779 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586863662 WOMKZJIETCADPL-LJQANCHMSA-N 424.432 1.239 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)CCCCCC#N)CC3)C2=O)n(C)n1 588163621 GJAJSTBOGJNRNC-SFHVURJKSA-N 400.527 1.842 30 10 HDEE Cc1c(C#N)c(NC(=O)Cn2nnn(C3CC3)c2=O)n(Cc2ccc(F)cc2)c1C 589259852 XOXUUEBZXHQWJP-UHFFFAOYSA-N 409.425 1.891 30 10 HDEE C=CCOCCNC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 672489381 FDWLNZVPFZSSGQ-UHFFFAOYSA-N 420.329 1.538 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 711645271 DPMOTVHPDZLIRI-CQSZACIVSA-N 413.334 1.576 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732650227 JJAGRLSTXAPOCI-MJGOQNOKSA-N 402.520 1.347 30 10 HDEE CCN1CCN(Cc2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732674548 ODQPPXUJGNETQP-QFIPXVFZSA-N 410.566 1.706 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CCN1C1CC1 733261188 OFGFKLRUFLKFIV-NHCUHLMSSA-N 403.486 1.621 30 10 HDEE C[C@H](CC(=O)N1CCC[C@]2(CCCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 746875721 XJSLEMKEHHQNNO-QRWLVFNGSA-N 405.520 1.923 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCc3ccnc(C#N)c3)CC2)c1 747039060 GCEIKUIXNUVKDT-UHFFFAOYSA-N 414.487 1.457 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ccnc(CO)c1 763237211 LUJWKCSXBSLJHH-MRXNPFEDSA-N 402.476 1.810 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763436872 OYSYTHFZVJXVPY-UHFFFAOYSA-N 410.474 1.406 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 766784294 KORWPNWOUZUKAD-MRXNPFEDSA-N 401.444 1.031 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 772920389 YSAZPJXDGYXLRV-DZKIICNBSA-N 422.507 1.208 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774187244 GFYQRLSROHJFNB-CVEARBPZSA-N 413.540 1.465 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](c4nc(O)n[nH]4)C3)ccc2c1=O 774291307 JOOFZUJIFSDQLJ-GFCCVEGCSA-N 412.475 1.715 30 10 HDEE CN(C)S(=O)(=O)c1ccc(COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)o1 780177102 RMRKSNTWIKRSDV-QGZVFWFLSA-N 400.453 1.835 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)nc12 783134265 YITZDLBQOZWHKP-HNNXBMFYSA-N 411.443 1.645 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956158 FFLKGMPETSTRCW-UHFFFAOYSA-N 420.519 1.662 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CCC2CS(=O)(=O)C2)C1=O 786683988 UFRZRRRHSHCNEA-AWEZNQCLSA-N 413.496 1.328 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)ccn1 795967742 QCWVGOVOBIKECY-UHFFFAOYSA-N 410.455 1.938 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)C[C@@H](CC#N)c1ccccc1)c(=O)n2C 795992243 REOSMEVEMNLNPV-MRXNPFEDSA-N 409.446 1.455 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(CC)[C@H]2c2cc(F)c(F)c(F)c2)CC1 801957026 UITDAKSFDSKBBD-RXVVDRJESA-N 408.468 1.606 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 802476520 CZVQBJBCAAPIHN-OALUTQOASA-N 417.531 1.052 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1F 805776655 UTCVGOKTCPDQDN-SFHVURJKSA-N 422.888 1.339 30 10 HDEE C[C@H]1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 807800853 CAHSWEZHUFGZAF-MKBNYLNASA-N 410.396 1.592 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 811155304 SFHYBYQBWMEENF-LBPRGKRZSA-N 403.416 1.055 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3nc(C)cs3)n[nH]2)cn1 1083937394 LHQAEKKKKGMIAG-UHFFFAOYSA-N 421.512 1.589 30 10 HDEE N#C[C@@]12CN(C(=O)CCCc3nnc(-c4ccccc4)o3)C[C@H]1CS(=O)(=O)C2 1134055537 ASDDSGYWQGWLSP-KXBFYZLASA-N 400.460 1.456 30 10 HDEE C[C@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@H](C)O1 1134057067 ZPEJDQWMGVOECA-UGJIMAENSA-N 417.531 1.306 30 10 HDEE N#Cc1c(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)nc2n1CCOC2 1135005875 LAZITEZBJNBNPB-HXUWFJFHSA-N 413.409 1.974 30 10 HDEE CCn1c(S)nnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1136658212 RISWJQDMQPTNGP-NSHDSACASA-N 404.883 1.781 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n[nH]1 1136947600 IEGFGEJJHVUKMM-OAHLLOKOSA-N 405.503 1.345 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CC1 1151392652 HZLNRNQMZWSMTO-UHFFFAOYSA-N 409.467 1.735 30 10 HDEE CCOC(=O)C[C@H](SCC#CCN1C(=O)c2ccccc2C1=O)C(=O)OCC 1166122516 DJXSCMLGAUPELY-INIZCTEOSA-N 403.456 1.904 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(N2CCN(CC)CC2)C1 1178917814 SYWOOUUGJUYPAW-INIZCTEOSA-N 400.951 1.871 30 10 HDEE N#Cc1cn(C2CN(c3ncnc(C(F)(F)F)c3Br)C2)c(=O)nc1O 1187052178 CFILKQPPAWPPBV-UHFFFAOYSA-N 417.145 1.453 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n1 1206669480 HUFJYKDAKLANKB-UHFFFAOYSA-N 417.857 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1286291713 XVAQWCHXBOALNA-WYIRRWHOSA-N 424.530 1.561 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCOCC1 1286304378 HZKMFTDQDISPOG-XWSJACJDSA-N 405.543 1.428 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286443405 GHFWWLVSRUHLJU-HOTGVXAUSA-N 423.525 1.189 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCOC1 1286458910 GLKKOAITUCBPEN-QFIPXVFZSA-N 422.489 1.368 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1CCN(C(C)=O)CC1 1286466370 XYZVVVCAQMTQBO-LJQANCHMSA-N 403.527 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOCC)CC1 1286493854 GYUWPXJZVHJJDL-ROUUACIJSA-N 419.526 1.004 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCS(=O)(=O)C1 1286519698 ZZAIJGLJCUCCOX-FUHIMQAGSA-N 424.567 1.819 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1286570340 VNZFIGJQXUABGY-OAQYLSRUSA-N 421.542 1.615 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286769051 OJDVSBRBBBAWRY-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1SC 1286786608 VHVGPNVFZWYGPO-HNNXBMFYSA-N 414.535 1.890 30 10 HDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286834973 OQWLBPAXOABODA-MRXNPFEDSA-N 418.567 1.077 30 10 HDEE Cc1ccoc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1289260909 YCYLKKDTIYMAPO-UZLBHIALSA-N 401.467 1.997 30 10 HDEE Cc1nnc(N2CCN([C@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1290856440 FUERBRWSDCKPIE-IBGZPJMESA-N 405.462 1.448 30 10 HDEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1291259830 YUYUFSCXHWQPDT-MGPWXQLLSA-N 402.499 1.618 30 10 HDEE CN(C)CCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 1291626886 JRBQACVZXVYZFH-RELWKKBWSA-N 418.523 1.510 30 10 HDEE N#CCSCC(=O)N1CCC([C@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1293902645 AYNIMECISDHRME-KLTZCBCKSA-N 403.548 1.896 30 10 HDEE CN(C)C(=O)CCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297975419 XWJBYFSWOHLDMD-UHFFFAOYSA-N 409.494 1.949 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)CC)c1 1300333911 FWEZVTHXJTXOOW-VGOFRKELSA-N 411.506 1.999 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300336952 QVVTVJHYMHLDOY-QFIPXVFZSA-N 414.554 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCn2ccnc2C1 1300559214 LVADCIFCJCCNDH-CVDCTZTESA-N 422.533 1.852 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNC(C)=O 1300675434 BVUXFRFZUWUKFT-QZTJIDSGSA-N 405.543 1.809 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1cn2ccccc2n1 1300676112 ZXDANQOUBFRCLI-UHFFFAOYSA-N 421.505 1.377 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@@]2(O)CCOC2)CC1 1300690080 APKVHBGGMXSCBP-FQEVSTJZSA-N 419.888 1.644 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)CC1 1300693316 WMYAENJUYWFUON-LJQANCHMSA-N 419.533 1.293 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCC=CO2)CC1 1300719887 UMKLTMFUPVMPKQ-SFHVURJKSA-N 409.494 1.337 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301152231 WTGMVEUHSILKHT-CVEARBPZSA-N 421.567 1.594 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301196351 ALQOLJJRLUURHW-AWEZNQCLSA-N 404.496 1.515 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1301595041 MBKZCIFQBMSGQX-HUUCEWRRSA-N 417.601 1.669 30 10 HDEE CCC[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1313538641 DPZIFEDGGKVTDN-JJXSEGSLSA-N 410.544 1.710 30 10 HDEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1314576834 LIEOQABQFDQYFK-JAJZRHCZSA-N 409.556 1.901 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)nc1 1318509044 XNMDZFWUECBAQJ-OAHLLOKOSA-N 415.427 1.206 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2nc(N(C)C)ncc2Br)c1 1356485405 JONCVDNMNCHBNV-UHFFFAOYSA-N 416.279 1.679 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1358965447 VJKSDLHHLSFAHO-MRXNPFEDSA-N 407.565 1.917 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1359030394 VJBCHGWAKLPKAC-FQEVSTJZSA-N 408.506 1.508 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCSC2)CC1 1359032539 RPDFAFMNCURLCW-LJQANCHMSA-N 418.954 1.617 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359120902 KKGXIHFINPXPOM-AWEZNQCLSA-N 421.523 1.985 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC)C1 1359131649 AJVHGBAILHUHCH-HNNXBMFYSA-N 419.482 1.450 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1359278494 WXNQKNQTWQTFRD-QGZVFWFLSA-N 406.531 1.314 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCC2)CC1 1359296636 POLPSZCYTNUXAV-UHFFFAOYSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnn(CC)c1 1359296813 VNFYJNXYSIKHLY-UHFFFAOYSA-N 423.477 1.829 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1360475475 AZRLGICSFGQYBH-DOTOQJQBSA-N 424.509 1.247 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)c(OC)c1OC 1435396300 JIEPCMYYEBNFNI-OAQYLSRUSA-N 417.462 1.317 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c(C#N)cn1CC 1436863448 SHVLLUOEAHYIRA-DLBZAZTESA-N 412.494 1.964 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1438400542 IOWWKRYSBHBQSN-ZDUSSCGKSA-N 418.899 1.750 30 10 HDEE C=CCN(C(=O)c1c(I)n[nH]c1C)[C@H]1CCS(=O)(=O)C1 1442031305 HMUKGPFQFNENJY-VIFPVBQESA-N 409.249 1.138 30 10 HDEE C#CC[C@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCCN1C(=O)OC(C)(C)C 1452142066 AQQARTYYOGIZGF-IIBYNOLFSA-N 406.527 1.358 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)OC)cc2F)c1 1454007718 OSMLSPCMLGYDCW-UHFFFAOYSA-N 404.419 1.454 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1463964567 YGKYGHVOZDEUNH-NSHDSACASA-N 406.323 1.887 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 1468507685 SRQFHUGGTYTPOI-LSDHHAIUSA-N 401.529 1.857 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1 1471822252 FOCGECPSNUIJIJ-UHFFFAOYSA-N 418.471 1.965 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CCNC(=O)O3)CC2)ccc1F 1472171316 OKMWLXOOUNBZOF-UHFFFAOYSA-N 411.455 1.395 30 10 HDEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)c1 1492537577 CGTKWBIVEIJVEU-HNNXBMFYSA-N 406.512 1.311 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1503415152 KFKNMGWEOOWCKH-HZPDHXFCSA-N 400.508 1.601 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCCS1(=O)=O 1507602878 QHNACGSEBWBJIB-HNNXBMFYSA-N 421.498 1.662 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCN1CCCO 1507619084 VKDCSTNWQXJDCS-SFHVURJKSA-N 401.486 1.912 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCOC1 1507659282 YZTMTURCSGAZMP-LJQANCHMSA-N 413.522 1.420 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1507711531 WDLPDYGXYJINPQ-CQSZACIVSA-N 423.564 1.333 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507714772 VUXMDXGBVPXGTJ-CEXWTWQISA-N 405.543 1.715 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F)C1CC1 1507993012 MUNUXHMLZWHRAB-CYBMUJFWSA-N 421.489 1.829 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2C1 1508085951 IUMLLFFFJAVTGR-MRXNPFEDSA-N 416.432 1.372 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509660935 QDOGJTGKSLVSGE-LEWJYISDSA-N 413.526 1.557 30 10 HDEE CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1514097970 HGMWOCWIRCNWJP-IGGDJGDASA-N 414.510 1.935 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1515440931 DHJPZXAMBMTFHZ-UHFFFAOYSA-N 404.448 1.040 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1518731266 UIPDSQBCDBRRNW-DYESRHJHSA-N 410.478 1.195 30 10 HDEE CC(C)[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)S(=O)(=O)C1CCCCC1 1523978798 AUDILRMURGETBW-INIZCTEOSA-N 423.539 1.829 30 10 HDEE Cc1c(C#N)c(NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)nn1C 1530306700 RTGOURMPYXMAHT-UHFFFAOYSA-N 400.464 1.400 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1531945262 DTORLFUECYPPEK-YCRPNKLZSA-N 417.462 1.395 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)c1nccs1 1532077911 FOGADHWBOUEPDS-HXUWFJFHSA-N 412.471 1.894 30 10 HDEE Cn1cc(I)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 1534509021 ADVJKXHCZLWACE-LLVKDONJSA-N 423.214 1.585 30 10 HDEE C=CCN(C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)[C@H]1CCS(=O)(=O)C1 1537473749 GQYXGFVDHZDAPV-KRWDZBQOSA-N 418.475 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1539004449 SZPJPXYZQOGSDB-CQSZACIVSA-N 402.462 1.616 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539071824 FIBCJDQUZAUQEZ-VSZNYVQBSA-N 406.552 1.845 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1539361728 CLNYICMQNVBSTK-LJQANCHMSA-N 403.490 1.982 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1539362115 PHMJXXKLECJTIR-LJQANCHMSA-N 420.517 1.859 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539513298 IEZJJWAWVLEWKF-JKSUJKDBSA-N 413.551 1.843 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1539638276 YUKQMIFFDCZKCI-UWVAXJGDSA-N 410.522 1.912 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C(=O)OC 1539726741 PKYAKAFOIOUPCH-HOTGVXAUSA-N 412.398 1.764 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1540862969 MMEBBVRUJXLYMQ-CHWSQXEVSA-N 416.448 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540902254 FADMTMHBZWPGJL-GVDBMIGSSA-N 412.556 1.634 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)cs1 1542908746 LKLHNJGCZQLGDV-UHFFFAOYSA-N 403.556 1.952 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1545797182 BZLHHYSIVCDUAP-AWEZNQCLSA-N 401.529 1.197 30 10 HDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1547339889 MELWEWKQRAEKDC-BMRADRMJSA-N 403.487 1.177 30 10 HDEE C=C(C)CONC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1557328949 AWURHQFUYFPEJU-UHFFFAOYSA-N 410.386 1.667 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1557543246 ITGZIXYQLVTLMQ-UGKGYDQZSA-N 401.507 1.694 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)c1 1558196550 KGPUDBQGOBQVPA-IUODEOHRSA-N 404.410 1.780 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1559835967 BMVKBVNNTVGSQZ-IXDOHACOSA-N 411.424 1.835 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)C(=O)OC 1570220759 AOPIINJKBKZTLY-QGZVFWFLSA-N 420.512 1.564 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](O)(c2ccccc2)C1 1584656197 DZBSCHXTFHJSIS-IIBYNOLFSA-N 413.499 1.735 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CC(F)(F)F 1587556656 QUXPTBAIRFJELE-ZDUSSCGKSA-N 409.416 1.877 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1587562347 OGGGOWWUKZCOCE-OFQRWUPVSA-N 424.596 1.711 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 1587751450 APRXWUSRXUNSBC-UHFFFAOYSA-N 413.377 1.042 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588049450 GQUMPEHKHBJPJZ-CVEARBPZSA-N 405.524 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1588099033 GOUMZFYXWHCTHL-IBGZPJMESA-N 415.291 1.932 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595418222 DKVJZQFQQNQBEX-PXNSSMCTSA-N 409.538 1.439 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](n2cncn2)C1 1595796992 DAMXCVYHDMMAFA-INIZCTEOSA-N 405.528 1.579 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595866566 PFMILKNSJZOTPC-HNNXBMFYSA-N 410.569 1.611 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2=O)C1 1603255890 ZSFRRIROSVACOM-ZYKFEASCSA-N 402.495 1.653 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1603400559 GJCFKHHOCMTHKJ-ZIAGYGMSSA-N 401.220 1.429 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCN1CCSCC1 1608307503 FKFCOYBZCBGFLC-UHFFFAOYSA-N 405.572 1.595 30 10 HDEE N#Cc1nccc(N2CCN(C(=O)c3ccccc3I)CC2)n1 1611839919 QYIUKKHVZSBPAE-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE C#C[C@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C1CCOCC1 1612633833 LXHPYCJLMHYYFZ-KRWDZBQOSA-N 422.507 1.371 30 10 HDEE CCO[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1616611621 MNGUUVGGXUGZCF-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE N#Cc1c(NC(=O)COc2ccc(I)cc2)nc2n1CCOC2 1617126783 WGJPQMOENCAOBM-UHFFFAOYSA-N 424.198 1.907 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2c(F)cc(F)cc2Br)CC1 1618012843 SKDKWNKHCXYGDP-UHFFFAOYSA-N 401.211 1.724 30 10 HDEE COc1ccc(-c2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cs2)cc1 1618171595 DKQPWQIKTPMFLB-SCLBCKFNSA-N 403.485 1.829 30 10 HDEE COC1(C(F)(F)Cn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1619015858 JKQNPPRNBOTKPK-OAHLLOKOSA-N 411.453 1.790 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@H](C)O1 1619736409 BHJXSFPWVWMGCQ-YJBOKZPZSA-N 408.466 1.349 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1619905293 RISASOIHOCEQEW-HXUWFJFHSA-N 400.523 1.629 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C)n(C)c1=O 1619912446 DBTYKPXPARDLNU-GOSISDBHSA-N 414.510 1.594 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccs2)CCO1 1620355146 GZNPIFUCHJKXJS-MRXNPFEDSA-N 423.502 1.484 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1 1620472727 AIWIZALTSSFKPB-UHFFFAOYSA-N 422.441 1.658 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@@H](F)C(N)=O)CC2)CC1 1620501308 BCEJLDRDMNCNLB-AZUAARDMSA-N 419.476 1.070 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3oc(C4CC4)nc3c2)CC1 1622811239 QLYVDLJGDUBIKL-UHFFFAOYSA-N 403.464 1.322 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1630034809 WFRYEXGDBJTFNB-UHFFFAOYSA-N 404.492 1.059 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ncccc3F)C2)s1 1631099653 IPZUSGMQHUOANL-CYBMUJFWSA-N 424.523 1.684 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 1637886498 SEKYBTNSJTWPAD-MSOLQXFVSA-N 400.479 1.961 30 10 HDEE N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)s1 1639430126 BRZFTROPEQZWHO-UHFFFAOYSA-N 414.306 1.977 30 10 HDEE Cn1c(=O)n(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc21 1641855246 OPMOINJHLXYPSO-UHFFFAOYSA-N 422.441 1.634 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)NCC2(C#N)CCOCC2)ccc1Cl 1647904315 OOISLSMZKZGYMP-UHFFFAOYSA-N 401.872 1.572 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@@H]1C(=O)OC 1648605426 SCSWJHNUCHGGLD-RYQLBKOJSA-N 401.463 1.524 30 10 HDEE C[C@@H]1Oc2c(cccc2C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)NC1=O 1649040876 JIGWGAZBZVLMFC-LBPRGKRZSA-N 409.398 1.924 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)Cc3nnc4n3CCN(C)C4=O)n[nH]2)c1C 1651891070 YMYDIEIBIBXAQI-UHFFFAOYSA-N 423.481 1.025 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2ccc(C#N)cc2)CC1 1659828361 CKGXNFCKKJSIIR-UYRXBGFRSA-N 400.504 1.660 30 10 HDEE Cc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1Br 1669271831 CVTLWDFAOYKEOW-DZGCQCFKSA-N 418.357 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCCCC)c2)CC1 1674801361 VAOPUCYTFDUAIL-UHFFFAOYSA-N 408.524 1.160 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 1680829365 GCFHEBCECPGGQO-BOFXEDATSA-N 416.547 1.477 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1 1682167134 SPEVGLMSZXIJFA-QGZVFWFLSA-N 419.530 1.301 30 10 HDEE C=CCCCCCCNC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1682402877 BCLQKKSIAIEETD-UHFFFAOYSA-N 405.503 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1684862671 BSSCYYZWQQRRAY-DYESRHJHSA-N 400.479 1.697 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1686939793 QVQAQHHKFNGUSP-BARDWOONSA-N 410.471 1.717 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1689842223 WNURJZJFVQCKBM-DSGGYQJVSA-N 420.473 1.938 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689884298 QAHGNNKRXLJYKX-IBGZPJMESA-N 408.506 1.971 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689919339 KMJBYAZLLUDQPY-HNNXBMFYSA-N 422.942 1.925 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1690058880 CURCZVXYGIFDKW-GJZGRUSLSA-N 419.507 1.188 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C)nc2)CC1 1690110376 JVSLCCHGLMLIDJ-UHFFFAOYSA-N 416.489 1.432 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N(C)C)CC1 1690139930 FPMQGQYRKSLTHF-QGZVFWFLSA-N 424.549 1.870 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC2(C)COC2)CC1 1690150742 SREAXIAPWUJTNL-UHFFFAOYSA-N 413.547 1.933 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCS(=O)(=O)C1 1690265146 KVYBJOSJVYOUSD-LSDHHAIUSA-N 416.569 1.017 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1690515941 XQIRUGDFIMCECB-OAHLLOKOSA-N 415.523 1.745 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1690597040 HVBBQNNMXRFUNH-KRWDZBQOSA-N 419.507 1.518 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1690604290 RRNAEVLGLYNCMB-AVRDEDQJSA-N 411.506 1.616 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1cccs1 1690669539 IIBMEGHDDLUZNS-HOCLYGCPSA-N 414.535 1.804 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cs1 1693351814 HIKSQZSCELOEQC-KUHUBIRLSA-N 417.514 1.991 30 10 HDEE CCc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694678975 IPMGZKPUCWCHEE-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1696631112 GBRJLNWFYILJTC-CRAIPNDOSA-N 410.544 1.541 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1697776361 RBZJOBZKVJWQHV-SJORKVTESA-N 421.498 1.815 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C1CC1 1698168469 MLXPARIVQYKXJC-LSDHHAIUSA-N 412.498 1.714 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1705531673 RODYVKPTGTXOKJ-CQSZACIVSA-N 405.462 1.674 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1705551173 IFQSFJWJTWSGGM-AWEZNQCLSA-N 409.368 1.539 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1705566927 RRRNGCOUZPIHFA-GJZGRUSLSA-N 418.548 1.257 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1nnnn1CC1CC1 1705598988 GBWKVLVXRLEHMW-UHFFFAOYSA-N 401.478 1.172 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1705631611 KEPKFWKZAPJJRB-QZTJIDSGSA-N 400.527 1.084 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2ncn(C)n2)CC1 1705649840 GJMXCNRCTGJLLK-UHFFFAOYSA-N 424.534 1.073 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1706956075 QLBSJQLSOUTAIL-OXQOHEQNSA-N 406.506 1.725 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712168891 LEGKFXVLGNEBRS-MJGOQNOKSA-N 409.469 1.978 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NC(C)C 1712635406 SERNHLMZCNTQCD-RDJZCZTQSA-N 404.515 1.657 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1722300034 WGQBZKRGWZCSIZ-SFHVURJKSA-N 415.586 1.132 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722312827 KRDUIYFVWPAJPB-INIZCTEOSA-N 402.524 1.662 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722322587 UUPAEADIOPQHEB-UHFFFAOYSA-N 421.505 1.788 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1722335337 TWENPFKIBRVQAF-UHFFFAOYSA-N 411.506 1.762 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1722343345 GPWFMVVFJIOLPP-WIYYLYMNSA-N 404.559 1.026 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1722362233 MTRXKOIBKQLQOY-UKRRQHHQSA-N 423.926 1.655 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CCCC2)CC1 1722439300 XBCLDTNCVTXRMH-UHFFFAOYSA-N 408.550 1.729 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1 1722446691 ITDDPHRDQVMZLQ-GOSISDBHSA-N 411.506 1.591 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722482331 AJIMLOCJHOPWED-GFCCVEGCSA-N 418.361 1.830 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722510737 UNEQTRJVEHABOI-INMHGKMJSA-N 414.514 1.354 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722690331 IBRDPWCRXBYKPR-QGZVFWFLSA-N 414.558 1.540 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cnn(C)c1C 1722725099 FHXIYCUESCKTBH-UHFFFAOYSA-N 415.523 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1722726401 DXYXQSKGGHMNAI-UHFFFAOYSA-N 423.539 1.615 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCN(CC(F)(F)F)C1 1740601453 VWGYHTQCNAAUQE-GJZGRUSLSA-N 403.449 1.956 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1740621273 KMHHVNQJOICYPZ-QGZVFWFLSA-N 417.535 1.784 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1740626178 KBTDIXMWWGVSJG-AWEZNQCLSA-N 404.483 1.733 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCCCC1 1740679053 YDALVFVTYGUXPO-UHFFFAOYSA-N 416.570 1.865 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740718508 PUXSZPAKMDZBBM-LJCCNALRSA-N 406.552 1.921 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1740724849 ISYGVTXDMMAQHX-SCLBCKFNSA-N 402.480 1.393 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCCC(=O)NC 1740957156 CQYAELLITNFMRP-UHFFFAOYSA-N 423.521 1.701 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)N(C)C)C1 1740983664 NDLZKTSVVPUKFG-IBGZPJMESA-N 413.522 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CCC)C1 1740986023 PYIANDMJTQDCSJ-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740999945 JCGIANCTKBWTET-CABCVRRESA-N 403.512 1.533 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)c1 1742223023 CUEOADJBWLWDHW-HNAYVOBHSA-N 420.514 1.995 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748811834 MKCLYLJMJKWLPQ-BZUAXINKSA-N 418.498 1.500 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817437 KTKGYAODZXYBKQ-HOTGVXAUSA-N 405.524 1.363 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748846567 JBDGDRCPCBZXNI-AZUAARDMSA-N 420.517 1.523 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1748846884 LTQLGRIVVDRVLI-ROUUACIJSA-N 424.526 1.819 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@](C)=O)CC2)CC1 1748984022 IXLJUYQJYPUMOH-LJAQVGFWSA-N 413.547 1.620 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC=C)CC1 1748984206 JCCABXFBZJGJSG-UHFFFAOYSA-N 424.530 1.173 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2csc(C)n2)CC1 1748989637 ADZMXLVIVABKQU-QGZVFWFLSA-N 400.552 1.935 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749132918 FUFQDHMABSLNRG-PKOBYXMFSA-N 418.542 1.396 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1749210281 GHEVBYCQZFPMHM-UHFFFAOYSA-N 406.531 1.456 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1749352699 UEGHNCUCFGFLSW-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749390114 AHLYNDDISINESQ-LSDHHAIUSA-N 412.560 1.302 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749398557 KMTYRTLBQKLEOX-KXBFYZLASA-N 407.540 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1749726194 ZPPMYSNBAAYUOF-UHFFFAOYSA-N 401.496 1.404 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749753931 CRTRTJIKGDJELG-INIZCTEOSA-N 414.535 1.884 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2(C(N)=O)CCOCC2)cs1 1751765705 FWNOFMINLGPMPL-CYBMUJFWSA-N 417.539 1.654 30 10 HDEE C=C(C)CCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](C(F)(F)F)C1 1757859561 ZEVQRTBSDFUDON-DEQQHWRFSA-N 404.429 1.900 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1760122389 KRZBRCHAOFLPHO-AWEZNQCLSA-N 414.535 1.773 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1760164294 PDUHBHKFYASQTB-SFHVURJKSA-N 413.522 1.956 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccc(N3CCOCC3)n2)CC1 1760254497 YIUCYROPJXHGOA-LJQANCHMSA-N 423.565 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760266342 WFVSULKUXSJZCI-BPQIPLTHSA-N 403.527 1.297 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1CC 1760287673 AUVDQEHRCWDOAO-HXUWFJFHSA-N 405.466 1.577 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1760322875 YPJMIBAFIDTIRK-BZSNNMDCSA-N 418.542 1.615 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760453298 ZXOXLZCYDVELNY-GOSISDBHSA-N 413.526 1.543 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](c2ccco2)C1 1760514684 KYZSBDFTDWJOKM-HNNXBMFYSA-N 421.461 1.815 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2[C@H]1C 1760522361 RQNUXCFXLOBUKS-ZBFHGGJFSA-N 415.519 1.564 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760554070 QMJTWYLFVXGATF-MRXNPFEDSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1760554394 CMSPKFKVSMBWKO-IBGZPJMESA-N 408.499 1.678 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1760803931 SRAGPSIMXIPBGJ-LSDHHAIUSA-N 411.528 1.114 30 10 HDEE CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762370377 RXRAJZFCCYBCHW-MSOLQXFVSA-N 411.510 1.800 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1764563158 KTSVDIPWBDOUKW-UHFFFAOYSA-N 411.510 1.694 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1765360559 GYNXACJRFKKBQS-RDJZCZTQSA-N 400.487 1.402 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1769262151 GHTUTMCYVBPBNB-UHFFFAOYSA-N 419.493 1.346 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCCCC1 1769845603 PFBLPKIKOMUALE-SFHVURJKSA-N 418.542 1.941 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C(C)C)N1CCCC1 1771222483 IQUXUQFORSUJBP-QRVBRYPASA-N 420.558 1.851 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CN(C)C(=O)N1 1849855363 RFOYZXPZRJYVOU-ZWKOTPCHSA-N 403.479 1.062 30 10 HDEE C[C@H]1CC(=NC(=O)CCn2nnc3ccccc3c2=O)NN1c1ccc(Cl)cn1 1851708670 CMXFWBGSUVGYQB-LBPRGKRZSA-N 411.853 1.959 30 10 HDEE N#CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)nc1 1851950255 XBFNRHZGXXLIRY-UHFFFAOYSA-N 404.879 1.948 30 10 HDEE Cc1cn2c(=O)cc(COCCN3CCN(c4ncccc4C#N)CC3)nc2s1 1852129150 HNLOWPJSPPYWPH-UHFFFAOYSA-N 410.503 1.670 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(C)(=O)=O)C1)c1ccc(Cl)cc1 1852597584 JYAJXOCCUNXWFO-UHFFFAOYSA-N 402.929 1.439 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CNC(=O)c3ccc(F)cc3)CC2)nc1 1853036161 FYTZJERJHNXMAA-UHFFFAOYSA-N 411.437 1.188 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1853052141 ZZHAGPWNEWEYRR-OAQYLSRUSA-N 424.526 1.574 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCCS(=O)(=O)Cc2ccccc2)CCN1CCCC#N 1854281326 KZISXRAERKYIHL-KRWDZBQOSA-N 405.520 1.745 30 10 HDEE Cn1cc(CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C23CCCCC3)nn1 1854511448 NMHSBTZNDRYURU-UHFFFAOYSA-N 406.490 1.803 30 10 HDEE CON(C)C(=O)C1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)CC1 1854662142 BHYGHLAUGUKZJE-INIZCTEOSA-N 412.490 1.587 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCN([C@@H]4CCN([C@@H](C)CCC#N)C4)CC3=O)n2c1 1854967125 JVFBPCRLORAXLC-ZWKOTPCHSA-N 408.506 1.694 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4nccnc4n3)C(=O)C2)C1 1854980136 SALIKZUTHMASRP-HZPDHXFCSA-N 407.478 1.076 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1 1855354649 NJMVMFARFNCRMO-HNNXBMFYSA-N 409.483 1.083 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)CCCOc3ccccc3)C2=O)CC1=O 1855637256 YQQNTASWHJDUQL-UYAOXDASSA-N 413.518 1.939 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)ccn1 1855921550 YUVORIHZNVMVBK-LPHOPBHVSA-N 407.478 1.478 30 10 HDEE CC(=O)N(C1CC1)C1CCN([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1856798222 LMXCXRCBKNOTJZ-NRFANRHFSA-N 408.502 1.704 30 10 HDEE COc1cccc(OCC(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)c1 1857144120 GZNJDDBZZAOKIM-KRWDZBQOSA-N 400.479 1.123 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)c1 1857441717 BCDVGLZNXHRCCP-ZWKOTPCHSA-N 409.421 1.772 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2Cl)cc1 1858979921 NGIRGJYQCDRMSK-UHFFFAOYSA-N 422.894 1.881 30 10 HDEE COCc1n[nH]c(=N[C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)s1 1860628459 CSTDLUYQPWSAHL-QGZVFWFLSA-N 418.519 1.794 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccccc2)C3=O)c1C#N 1865901876 GZEKGBRYBHJXJA-UHFFFAOYSA-N 410.393 1.818 30 10 HDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN(CC)CCO)cc1=O 1870561122 ACZWSDBYCVBPKE-NRFANRHFSA-N 413.518 1.683 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618688 HXJQZLRLAMDEQQ-UHFFFAOYSA-N 411.510 1.466 30 10 HDEE Cc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874336377 BJBOUHNRDZPTCY-MNPVBQOISA-N 400.508 1.770 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(C#CCN(C)C)CC2)c1 1890888036 RUMTXEIFXRHVBL-OAQYLSRUSA-N 417.575 1.952 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891245677 YEVAIBNBPINSFC-ZDUSSCGKSA-N 423.498 1.715 30 10 HDEE COc1cc(C=CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1OCC#N 2040437681 BLHJLTVDVQGFNF-UHFFFAOYSA-N 415.471 1.617 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2054408995 XSUZLHNZIXYFMR-MSOLQXFVSA-N 409.508 1.739 30 10 HDEE C#CCCN1CCC[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2139203444 ZZLLBHJDMHRAJP-QGZVFWFLSA-N 417.531 1.470 30 10 HDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247811357 AAOVPYOUVQBWDZ-MRXNPFEDSA-N 415.299 1.359 30 10 HDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247916905 GYOOOFCMLNRXGF-UHFFFAOYSA-N 420.319 1.648 30 10 HDEE N#CCc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270532469 UKFAVFFBZNYMRX-QGZVFWFLSA-N 417.443 1.874 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](C3OCCO3)C2)c1 2281808589 QPLXISIPKZVHCO-CQSZACIVSA-N 403.284 1.829 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282026517 DHYVDDRFAQIRLH-GFCCVEGCSA-N 401.359 1.989 30 10 HDEE CN(C1(CO)CCCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341292 QATYGZKISXOSOM-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CNC[C@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342420 HKHIKKBGGVAYTK-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CCC1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CNC1 2282500536 LIUDUULOSGGLCO-UHFFFAOYSA-N 400.375 1.466 30 10 HDEE CC(C)(CCO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502112 GUEMKDPKUWJNKE-UHFFFAOYSA-N 403.375 1.875 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282504276 MIWXOCNDEWRHPO-STQMWFEESA-N 401.359 1.713 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCCC4(C3)OCCO4)c2)OC1(C)C 2282511035 IMDVVKPDNAVBNB-UHFFFAOYSA-N 423.340 1.655 30 10 HDEE CNC[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2282639155 WPLZXNWSDCZZAJ-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CCNC(=O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830133 PJEIOVHKCVVVBI-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@]2(C)CCO)OC1(C)C 2282845003 LOPGPTRAZDLTRJ-MRXNPFEDSA-N 402.347 1.119 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1COCCO1 2282850183 LYLXZPDFTIJCOB-AAEUAGOBSA-N 403.331 1.130 30 10 HDEE CN(C)C[C@H]1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282860795 GNIWBFYSHIZZJU-JOCQHMNTSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCC[C@@H]2CCCN2)OC1(C)C 2282882068 GYYPVOQFPCDOGB-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244834 ATFQOAWJGFGXNK-JQWIXIFHSA-N 402.347 1.226 30 10 HDEE CN[C@@H](C#Cc1nccs1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363524088 DVEVFZYZZRYBMZ-UONOGXRCSA-N 413.565 1.895 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2365205924 DMOPVMXZTUTNFD-LIRRHRJNSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCC12CN(C(=O)OC(C)(C)C)C2 2365208457 CKTWJLREPPGJFI-IFXJQAMLSA-N 400.541 1.163 30 10 HDEE Cn1cc(C#C[C@@H](N)[C@@H](O)c2c(Br)cncc2Br)cn1 2366118170 JDDZZDVFONQZCY-DGCLKSJQSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367826610 ABDMMJQDAXXWLD-CVEARBPZSA-N 400.541 1.292 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2370674597 UCIIMDPWVXHABD-IQUTYRLHSA-N 401.525 1.779 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)CC1 27559074 FDRDXFXQBJCARU-UHFFFAOYSA-N 408.524 1.010 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 42953882 JAIHGQRDUZKKKP-UHFFFAOYSA-N 417.466 1.377 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](CC)C(=O)O)C2=O)cc1 96567178 XFMCUEJEXKVGNH-QRWLVFNGSA-N 403.435 1.388 30 10 HDEE C=CCN1C(=O)NC(=O)/C(=C2/C[C@@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)C1=O 102602920 HVBBUFILXKLVGJ-DLRWLJPMSA-N 414.418 1.020 30 10 HDEE N#Cc1ccc2ncc(CN[C@H]3CCCN(c4cc(N5CCOCC5)ncn4)C3)n2c1 237857199 RMHRJBTWVGKZKB-SFHVURJKSA-N 418.505 1.591 30 10 HDEE CCNC(=S)NN=Cc1ccc(OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c(OC)c1 254443687 SGDGTFZNGVVNGZ-ZIAGYGMSSA-N 408.524 1.528 30 10 HDEE O=[N+]([O-])c1ccc(O)c(C=NNC(=S)NN=Cc2cc([N+](=O)[O-])ccc2O)c1 254550854 UCUPHCYLXVHMEH-UHFFFAOYSA-N 404.364 1.746 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 429124747 AQBHYYGLQTVWAJ-IRXDYDNUSA-N 406.552 1.976 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2nnc(-c3cccc(C#N)c3)o2)cn1C 430320577 AOLLZGXRAJCCTO-UHFFFAOYSA-N 400.420 1.449 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n(C)n1 436282757 ULRREIXUBXAEHU-SFHVURJKSA-N 415.519 1.300 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 460810472 RLNHUBCCYWSSBT-HNNXBMFYSA-N 423.564 1.811 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1cc2c(s1)CCCC2 465271142 WPMOKABXLQASOU-CQSZACIVSA-N 424.530 1.756 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1 469973090 MWICBPJURWVTER-UHFFFAOYSA-N 421.500 1.465 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1Br 471939802 GSDGHRMPVXTHFO-CQSZACIVSA-N 405.270 1.769 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)[C@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472148930 BDZNSGWVPHYRGD-INIZCTEOSA-N 424.505 1.844 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)nc1 474329657 NPLBSBCZDWPORY-UHFFFAOYSA-N 418.522 1.939 30 10 HDEE CSc1nc(O)c(C(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N 476949972 GYFWBILOIMGISY-SNVBAGLBSA-N 406.489 1.861 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 478744128 HLABAJICEVNHDD-GDBMZVCRSA-N 414.483 1.181 30 10 HDEE CCOC(=O)C1(COC)CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 481473391 HRVWTGGDQZHNHR-UHFFFAOYSA-N 411.436 1.447 30 10 HDEE CC1(C#N)CCN(c2nc(N3CCOCC3)nc(N3CCC(C)(C#N)CC3)n2)CC1 503310750 KDNVSYPUTAFJHW-UHFFFAOYSA-N 410.526 1.968 30 10 HDEE COC(=O)CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505005445 LCJXEBKBFZKZCT-UHFFFAOYSA-N 422.507 1.308 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)ccc1F 510600349 NKHYSGYVOQINQP-OAHLLOKOSA-N 403.435 1.656 30 10 HDEE N#Cc1ccnc(N2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)c1 513192278 HLQGFGATROOFOJ-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 522075763 JALBUNBXCIKCAH-UHFFFAOYSA-N 424.522 1.993 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 523006983 WZXGTZHIRQIIBE-UHFFFAOYSA-N 409.552 1.816 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)c1C 536447598 JMYUWJCSDKYNKI-GOSISDBHSA-N 421.379 1.825 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCCO2)CC1 549672000 BNLWZZPJAMWBQD-GOSISDBHSA-N 418.586 1.860 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccoc3)n2C[C@@H]2CCCCO2)CC1 559211960 OGTIBUWTKSAIDZ-SFHVURJKSA-N 414.510 1.531 30 10 HDEE CC(=O)NCCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(C#N)c1 602269644 UWJYLGQVHIGHNG-UHFFFAOYSA-N 418.457 1.445 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 605408241 RVGQDWAXZXWUGC-GOSISDBHSA-N 415.494 1.256 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1C[C@H]1CCCO1 610574436 VAGOZIJRRIYWCA-MRXNPFEDSA-N 409.511 1.215 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 670207647 XMNUHXQZFUFROG-HNNXBMFYSA-N 415.560 1.438 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2c(C)nn(C)c2C)cn1 726109903 DOZRTEVVFYCXBR-MRXNPFEDSA-N 417.539 1.564 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)[C@H]1CCS(=O)(=O)C1 729330923 HXMAFTNFLYIEBV-ZDUSSCGKSA-N 424.573 1.768 30 10 HDEE N#CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 731234777 PCDDQBKGEGBTFQ-UHFFFAOYSA-N 413.455 1.230 30 10 HDEE Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc12 732153296 GQTBWVFQPQPURE-QOCHGBHMSA-N 416.441 1.985 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 732649790 SCNMIHUOKFBZKS-CVEARBPZSA-N 408.549 1.408 30 10 HDEE COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N(C)C)cc1OC 732701148 PUZIBUZMNDSXSE-QZTJIDSGSA-N 401.511 1.688 30 10 HDEE Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732708075 LNWYBWNVYWLNQM-IBGZPJMESA-N 423.517 1.805 30 10 HDEE CN1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1=O 737954481 CVRIZSFHLRZDSN-AWEZNQCLSA-N 406.508 1.023 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N1CCC(C(N)=O)CC1 744839837 LDSRQJMEPVZCIV-RDTXWAMCSA-N 401.463 1.617 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CC2)C(=O)C1 748503633 AQKSTYXRFVOZER-UHFFFAOYSA-N 418.519 1.119 30 10 HDEE Cc1ccnc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 754479170 YNHDNOOBRHYURF-HNNXBMFYSA-N 413.503 1.730 30 10 HDEE C#CCN(C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 757891949 YATFWNMVNQZEDQ-OCCSQVGLSA-N 406.430 1.472 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758644826 NCAHOPUJWKWSSP-UKRRQHHQSA-N 423.491 1.819 30 10 HDEE Cc1nnnn1/C(=C\c1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760777620 MHMFFNDJVSPMNU-RGEXLXHISA-N 400.446 1.595 30 10 HDEE COc1ccc(OCc2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)cc1 761589218 AHAGHACNQZMCFV-UHFFFAOYSA-N 400.416 1.896 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)cn1 763460833 NROMVIHNFQBGMK-UHFFFAOYSA-N 407.499 1.326 30 10 HDEE C=C(C)C[C@@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 768203155 QRUVWTHVPPVBNQ-OAHLLOKOSA-N 415.556 1.682 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768666592 UPDHFIOZGMWQTP-SSDOTTSWSA-N 403.279 1.761 30 10 HDEE CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 774766530 RWNXJFHIDZIOHT-HNNXBMFYSA-N 417.940 1.245 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)c2ccnnc2)CC1 778838363 KEGYUUQGUVWFDS-UHFFFAOYSA-N 408.374 1.102 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccccc1O[C@@H](C)C#N 780672084 ZBYXHGSHIMGOPS-WEBKGQRMSA-N 401.419 1.934 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 782998310 BZOMFOHIOZBASR-UHFFFAOYSA-N 407.536 1.510 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785528754 UFNZWHJKFZDLFV-UHFFFAOYSA-N 420.516 1.025 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C)c2C(=O)OC)n1 788695322 IUVUBGNYRRIBRN-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)n1 790104700 KTCOWHHLZIDWAU-LJQANCHMSA-N 414.531 1.787 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)n1 790106093 QKLXJAGGTMPAGI-UHFFFAOYSA-N 403.504 1.987 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1)n1cnc(C#N)n1 798741672 VTNCFHBWHZZAAH-ZDUSSCGKSA-N 402.842 1.256 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 805129795 SNZNVHJRJQPNBO-CRAIPNDOSA-N 414.528 1.179 30 10 HDEE C=CCCC(=O)COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808653366 BUFXCEZLPKIJHS-UHFFFAOYSA-N 424.519 1.714 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)c1 809809711 XBTFAPJXOODRGR-UHFFFAOYSA-N 404.444 1.924 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccccc1S(C)(=O)=O 810942761 XAGVCLWUQSVADX-ZDUSSCGKSA-N 422.484 1.372 30 10 HDEE C#CCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1CCS(=O)(=O)C1 812441761 GFTMVOFKLOEDIW-OAHLLOKOSA-N 404.448 1.451 30 10 HDEE COc1cccc(C=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1OC 824205788 KNWDCXJHBKMYNK-INIZCTEOSA-N 412.508 1.726 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1128731925 UADRGTHPKSDEFB-KSFYIVLOSA-N 406.442 1.901 30 10 HDEE CC1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]2COC[C@H]2O1 1130596203 WZVIOONODPTTSB-GVDBMIGSSA-N 412.446 1.168 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1132306201 HCERMACRIGGAJY-RCDCFZSISA-N 419.865 1.744 30 10 HDEE N#Cc1cn(CC(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c(=O)nc1O 1135599010 BQUJHWQAVYGPDI-UHFFFAOYSA-N 421.379 1.184 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136355416 VGQNDMGSBCFGOD-CABCVRRESA-N 400.541 1.965 30 10 HDEE C[C@H](CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)NC(N)=O 1136704203 OPKZUMGCJAGXPC-DOMZBBRYSA-N 408.300 1.605 30 10 HDEE COC(=O)[C@H]1c2ccccc2CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1137032129 CROHUPOHNNASTM-LJQANCHMSA-N 413.455 1.136 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccnc(F)c2)CC1 1141009577 LCGYWWFMOHTOLW-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE O=C(CSc1nc2ccccc2nc1N1CCCC1)N[C@@H]1CCCN(O)C1=O 1141463016 CDKROZUPVIOLNE-OAHLLOKOSA-N 401.492 1.819 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1143458203 MXQXPYWAIOWDEP-SJORKVTESA-N 406.527 1.259 30 10 HDEE CCN1C[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1145023302 OMQJEPHYUSTVTO-KHQOZGCUSA-N 404.511 1.758 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1148168902 COORWBPDNFJFBV-OXQOHEQNSA-N 403.483 1.299 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1175854604 UTZSMXBRCSDIDS-IBGZPJMESA-N 404.532 1.605 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1179365903 CGUUNKCLHWLDPQ-CYBMUJFWSA-N 418.500 1.279 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)c(F)c1 1180189297 LTYFFJOQGRDEAC-VGVBMJIYSA-N 415.400 1.820 30 10 HDEE CCn1c(CN2CC(O)(CC#N)C2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1193713409 GKQCHBNLJLHZCD-UHFFFAOYSA-N 417.535 1.691 30 10 HDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C)[C@H]1CCS(=O)(=O)C1 1206275447 NQMRQXKZSGNUQZ-AWEZNQCLSA-N 415.537 1.452 30 10 HDEE COCCC[C@H](Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1248417499 FALFBJUSJKZBEG-QGZVFWFLSA-N 411.462 1.425 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)ccc1C#N 1248505791 SNHQRERWEOXHGQ-UHFFFAOYSA-N 416.503 1.958 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1286284675 GFCNLAKGAQESIL-JLTOFOAXSA-N 416.551 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN(C(C)=O)C1 1286369352 NBNVZCIYBJTAST-MRXNPFEDSA-N 419.489 1.922 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1286378900 ZXJQGRRMUSWMQB-HNNXBMFYSA-N 402.524 1.060 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)N(C)C)c1 1286406781 HPXUYPXAWXWQHX-UHFFFAOYSA-N 401.474 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1286438184 CKDJVAQEOWKDKA-HXUWFJFHSA-N 409.538 1.498 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CC1 1286475853 ILQAYYZFOHWIIO-UHFFFAOYSA-N 412.519 1.007 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286553683 QKIRUFUKGPLUGK-YSHGAJCASA-N 405.543 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286786644 IDHDPNXJRZBVIL-KRWDZBQOSA-N 410.526 1.350 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1286790787 XADXYRCWFGVOEQ-QGZVFWFLSA-N 400.527 1.275 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NC(C)C)C1 1286809320 RHDIGFAFJZSHQR-AWEZNQCLSA-N 416.482 1.312 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1286966439 STTFFQMEZNNMOD-NUJGCVRESA-N 421.505 1.878 30 10 HDEE COc1ccc(-n2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2C)cc1 1289435893 FWSKTVDAUHLSTJ-IFXJQAMLSA-N 400.460 1.200 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CN2CCOC2=O)CC1 1293136183 DHOMBZNTHBUOGZ-HNNXBMFYSA-N 407.268 1.610 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)N1CCN(C(=O)CC#N)CC1 1294721231 FRHOBBOBKXCEKL-INIZCTEOSA-N 401.467 1.102 30 10 HDEE CCOCc1nnc(N2C[C@@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297095777 HQHOQPZMHUACQF-MHXJISAXSA-N 402.499 1.823 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1300454937 CARBDBFWULMBHD-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(F)(F)C1(OC)CCOCC1 1300529176 IDLMCQOKVWNYHY-UHFFFAOYSA-N 416.432 1.639 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1300806173 QWAAZOKRFPWGHC-MGPUTAFESA-N 421.567 1.477 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1301185956 STGHMBXEVRZJDT-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1301196701 IAXWVZUAEKIHDM-CYBMUJFWSA-N 406.503 1.242 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1301309385 QTROOEKFDCEIJM-IBGZPJMESA-N 422.507 1.038 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(CC)CC1)C1CC1 1301312797 MQECXUAQGLNPGP-UHFFFAOYSA-N 415.586 1.697 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N(C)CC 1301425182 UFHMLKKMKPAJTL-SFHVURJKSA-N 415.494 1.908 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)OC)C1 1301505848 BKKNDCYBDQSOQZ-GOSISDBHSA-N 411.506 1.869 30 10 HDEE CC(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1302792093 DZJFVFIMAQOLIV-ZAAXVRCTSA-N 404.490 1.904 30 10 HDEE CC(C)C[C@@H](C(N)=O)N(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1302960497 ZVSCMMQEVPGYGA-INIZCTEOSA-N 422.551 1.644 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1303311568 CGSKCNDZHFMVOJ-QFIPXVFZSA-N 407.522 1.825 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccnc3Nc3ccccc3F)C[C@H]1CS(=O)(=O)C2 1304001910 JQPIEMIQFGJAEN-DJJJIMSYSA-N 400.435 1.975 30 10 HDEE C=CC[C@H]1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1307960698 BVHOBTMPQVDTHM-SFHVURJKSA-N 407.536 1.222 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 1308150007 USQYHULBLPUZRP-WHLCRQNOSA-N 408.568 1.779 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(n3cc(C(C)=O)nn3)C2)cc1 1310131577 PNFJCRYBSNESJC-UHFFFAOYSA-N 418.479 1.376 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1311745844 FXJWHAIHHRGWKP-HKUYNNGSSA-N 407.536 1.978 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1 1320924277 CREXIRFAKCNBGA-BTYIYWSLSA-N 401.463 1.574 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1358939730 DHOGKPZAJDNZLZ-VQIMIIECSA-N 410.540 1.355 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCCN1CCOCC1 1358982664 FXWOARRRSNDXMY-UHFFFAOYSA-N 411.481 1.791 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1359013362 VRVOTNUQYQSKNL-UHFFFAOYSA-N 402.499 1.338 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CO)c1 1359023406 JRTVZTHEFFAQCN-UHFFFAOYSA-N 423.473 1.632 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCN2CCc3ccccc3C2)CC1 1359039683 RIEUXNNUHUJEFY-UHFFFAOYSA-N 408.550 1.628 30 10 HDEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C(=O)NC)C1 1359053158 DAGPFVCQFJABBW-MRXNPFEDSA-N 419.938 1.916 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359187229 GJDHVGIOMYDUBC-IRXDYDNUSA-N 404.559 1.988 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359220252 SOWAAWZHNSEDBI-GOSISDBHSA-N 410.478 1.646 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSCC1 1359294515 VZXBRVHZHCZIBO-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359662524 BJKXLOAZVBIHIK-UWVAXJGDSA-N 406.506 1.581 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 1435196665 ZCDIMVALICNINF-ROUUACIJSA-N 406.504 1.356 30 10 HDEE COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1446862521 BBWXPUDGNAITBB-IYJAJMOOSA-N 407.492 1.463 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1 1447223043 PWVVVISXXBMFJF-QGZVFWFLSA-N 401.463 1.830 30 10 HDEE Cn1cnnc1N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1452663075 ULDUBSADGCOONM-UHFFFAOYSA-N 405.256 1.177 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)cc2=O)n1 1455000539 GYTROYLOUWOEFL-UHFFFAOYSA-N 414.429 1.941 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(-c4cccc(Cl)c4F)no3)C2)c(=O)nc1O 1457201012 OKLYUTNGVWVCAI-UHFFFAOYSA-N 415.768 1.965 30 10 HDEE CN(CCc1cccc(C#N)c1)CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1460665016 PYMYHLURTUHCNF-UHFFFAOYSA-N 420.513 1.821 30 10 HDEE CSc1ccc(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)cc1C#N 1462748316 GEAUQLRMKBSXQA-CQSZACIVSA-N 420.516 1.062 30 10 HDEE COc1ccc(F)cc1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1462750974 COGABOHWKXGORK-UHFFFAOYSA-N 405.451 1.999 30 10 HDEE COCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccccc1 1463164511 SLVJFRMXLVWDFP-IFXJQAMLSA-N 400.460 1.029 30 10 HDEE CS(=O)(=O)C[C@@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1464757071 ARIZILYULIULLW-LJQANCHMSA-N 412.515 1.867 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](OCCO)C3)C2)C1 1466896965 COIGACFUGBOKJR-JWRWLIQVSA-N 407.511 1.773 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](O)[C@@H](CO)C1 1469080370 ADKVZIQPPREOLH-TZMCWYRMSA-N 413.268 1.300 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1469815832 WYJQSNDLTSPHRF-AWEZNQCLSA-N 400.447 1.256 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N3Cc4ccc(C#N)cc4C3)C2)cc1 1470093669 HUUTWWGJTBENBE-UHFFFAOYSA-N 412.471 1.665 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C1CCOCC1 1470311948 MDSXIYVLXGFPQZ-MOPGFXCFSA-N 424.588 1.940 30 10 HDEE Cc1cccc(=O)n1C[C@](C)(O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1471648118 UKXMNJMVUKRKHL-NRFANRHFSA-N 404.316 1.993 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCN(c2ccncc2)CC1 1472583619 BIFAMHNYPGQDPI-INIZCTEOSA-N 413.503 1.359 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3)CC2)c1N 1475378047 BPFWJATVBJWLIB-UHFFFAOYSA-N 417.491 1.681 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)n1 1479365417 JEFPOFBDWPWGJH-ZDWTUXFCSA-N 404.511 1.647 30 10 HDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1504376078 HFROBHDWLMGHLW-UHFFFAOYSA-N 418.523 1.633 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1507545528 FZRQIYUVNZYELO-SQGPQFPESA-N 405.568 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507549153 YJCJGLODTOHWIP-RCCFBDPRSA-N 402.543 1.530 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1507606348 JDHVUGRMAYVNIG-UHFFFAOYSA-N 403.508 1.301 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC=C 1507681500 VUBKQMWMLVGSTI-UHFFFAOYSA-N 405.300 1.808 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507732915 YXSCWEJNZHTSKB-ROUUACIJSA-N 402.543 1.090 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1507849579 YTLPJSWUYPRGCK-OALUTQOASA-N 421.542 1.653 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC)CC1)c1ccccc1 1507850071 AUJXJMVJBVQLEQ-UHFFFAOYSA-N 423.521 1.575 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1508036102 KDRDPADADJMFMH-UWJYYQICSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1508075157 OTSWPTJWVQXGIV-OALUTQOASA-N 417.602 1.699 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCN1C[C@H](C)O[C@H](C)C1 1509577566 GJICKWGOJIEIQU-ZACQAIPSSA-N 405.547 1.654 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c1 1518827466 QXVJJKBBPXDHPM-PWRODBHTSA-N 423.513 1.555 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCOCC(F)F)CCN1C1CC1 1521136400 DWFNVGNVBDABFO-QGZVFWFLSA-N 417.464 1.722 30 10 HDEE Cn1nccc1[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1525883900 KKISAFJSTBDXOO-CRAIPNDOSA-N 417.491 1.262 30 10 HDEE N#C[C@@]12CN(C(=O)CCCNC(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1538308415 DYJDHXXWJYHLGU-KSSFIOAISA-N 409.895 1.247 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cnc(C)s2)CC1 1539488646 CJTVTZOYUWVFTC-UHFFFAOYSA-N 402.524 1.594 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 1542161908 VTBJDSIASUVPPP-ZEBKQRNQSA-N 406.508 1.730 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)s1 1543103180 OXQDSBFFUIBSSJ-SJCJKPOMSA-N 404.475 1.464 30 10 HDEE C=CCn1cc(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)nn1 1544910536 CVVBLHQRKVHYEO-UHFFFAOYSA-N 410.522 1.565 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1556585306 SQGBALRLONXOQB-MRXNPFEDSA-N 424.519 1.317 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1556959505 CRLSYAHFYICCBD-FUHWJXTLSA-N 417.487 1.465 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(OC)c1OC 1558605702 AAXFZABMCQYYTG-UHFFFAOYSA-N 418.446 1.307 30 10 HDEE CC1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)C1 1559798817 CDFBJLNCDKWCKJ-OVCLIPMQSA-N 402.451 1.824 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)c(C#N)cn1CC 1562960144 CRRJLZIJCNOEHS-UHFFFAOYSA-N 423.495 1.198 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)NCc2ccc(C#N)c(OC)c2)cc1 1564714036 IOHYLHCWEMOCAA-UHFFFAOYSA-N 402.476 1.517 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCOC[C@H]2CCOC2)C1 1565597559 MOCGIWTWXICYLM-ZDUSSCGKSA-N 408.296 1.926 30 10 HDEE CN1CC[C@](O)(CNC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1567317759 WNUQPMGJFWPBLO-GCJKJVERSA-N 414.506 1.575 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 1586001022 GOISLXFHKDFXAR-CYBMUJFWSA-N 401.492 1.559 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1588075103 XSDGAUNYMMBIAD-GOSISDBHSA-N 402.520 1.798 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1588084683 UIIQDUFOBQEMFY-UONOGXRCSA-N 411.478 1.397 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([S@](C)=O)CCC2)CC1 1588884937 OXNZOYCULWDLCF-LJAQVGFWSA-N 419.595 1.843 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC 1589142981 UJQHGMKXFZYOBJ-LJQANCHMSA-N 416.507 1.352 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595517069 OLDOMSVKBZDDMS-SFHVURJKSA-N 421.505 1.424 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCNC(=O)[C@@H]1CC 1595823213 LVWDJRNRRDXLHD-INIZCTEOSA-N 409.556 1.326 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1598184732 CCYAMBIAFMRCBX-LJQANCHMSA-N 415.471 1.575 30 10 HDEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1612235082 LBBXCVKPNJDFKE-MRXNPFEDSA-N 422.493 1.973 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)cs1 1612402298 FNEVGLPFHZPWMW-SFHVURJKSA-N 403.487 1.602 30 10 HDEE COCCN(CCCN1C(=O)CS/C1=C/C(=O)OC)Cc1ccc(C#N)cc1 1615411732 XBYXNXRGURABHM-XDHOZWIPSA-N 403.504 1.987 30 10 HDEE CCCN(CCC)C(=O)c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1616335660 FRABRVDJPWSISD-GHTZIAJQSA-N 417.531 1.959 30 10 HDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 1617651734 GMGKOTCIFWQYIX-GOSISDBHSA-N 423.521 1.239 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccnc(N3CCOCC3)n2)C1=O 1618550574 JLDAPBGWQPBQLI-HXUWFJFHSA-N 418.498 1.629 30 10 HDEE C=CCN(CC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)[C@@H](C)COC 1620413568 AYLBZIHNBOSBGK-VBKZILBWSA-N 404.467 1.016 30 10 HDEE COC(=O)[C@@](C)(NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 1620477274 YZCIMXUTHDYKBJ-IBGZPJMESA-N 417.443 1.918 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1622146065 KBLGRKDUAQSJBZ-KSZLIROESA-N 410.492 1.287 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3c(O)ncnc3C2)C1 1625148289 UVIUVQHVOOACKL-UHFFFAOYSA-N 414.263 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCO[C@H](C#N)C3)nn2)CC1 1626971185 GCHGOKRPULAZPF-HUUCEWRRSA-N 404.471 1.605 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cccc(CN3CCCCCC3)c2)c(=O)nc1O 1627199909 CYFNRGBILHDDKQ-UHFFFAOYSA-N 409.490 1.903 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1627879562 DFNZDUGEMBYDQS-UHFFFAOYSA-N 403.460 1.670 30 10 HDEE COC(=O)[C@H]1C[C@H](O)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628506922 BBVBVUWLOKNPNI-WFASDCNBSA-N 422.279 1.139 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1629068402 FVVMGSHBNOCPHI-KRWDZBQOSA-N 414.510 1.153 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1629130366 NMXBPZXTJDNZMQ-UHFFFAOYSA-N 420.469 1.270 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1630986791 FVFBVIWTFOGYHU-KGLIPLIRSA-N 424.910 1.105 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCNC(=O)OC 1635507107 FTFXHSAQWKXTBS-UHFFFAOYSA-N 400.229 1.570 30 10 HDEE CN(CC(C)(C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1636335482 RXOGSWFRJRKRFO-QLFBSQMISA-N 413.540 1.665 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1638177140 NXEQBXIGLASQQS-NERIXLHVSA-N 406.483 1.713 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2ccc(OCc3ccc(F)cc3)cc2)c(=O)n1CCO 1641368813 XFXQRDPHOMVCEE-UHFFFAOYSA-N 409.417 1.949 30 10 HDEE C[C@@]1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCC(=O)N1 1642237183 JXJYZPIQVBUZRO-IBGZPJMESA-N 406.508 1.070 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@](C#N)(c2ccccn2)C1 1644101580 FUZSTONCDKIBBO-FOIQADDNSA-N 413.503 1.613 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1646119056 LUYJRGLOXQMRHE-CEXHIMGSSA-N 421.500 1.917 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCSC[C@@H]2c2cnn(C)c2)CC1 1648449533 LIMUVBLXFPKMJM-RTBURBONSA-N 404.584 1.592 30 10 HDEE COc1ccc2nc([C@@H](C)NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[nH]c2c1 1650961493 VQOZXKWXIUUNPS-GFCCVEGCSA-N 413.459 1.599 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1651801756 IQZVRRODCSILQN-LLVKDONJSA-N 420.354 1.003 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C(=O)OCC)c2C)ccc1F 1652746320 JHSIFGKAUCEUDH-UHFFFAOYSA-N 410.427 1.751 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@H](CS(C)(=O)=O)C1 1654940348 LOLPCFFMTCUMGH-CABCVRRESA-N 411.549 1.622 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN(S(C)(=O)=O)[C@H](C)C1 1655064376 OBXIRHKLACUQHZ-LSDHHAIUSA-N 410.565 1.843 30 10 HDEE CN1CCCC[C@@H](N(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1=O 1655262524 RWELLTSIELIPJQ-IAGOWNOFSA-N 403.552 1.400 30 10 HDEE CN1C(=O)NC2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)C1=O 1658083354 XLGREQMVXYHYMY-UHFFFAOYSA-N 401.492 1.453 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(CC(=O)NC3(C#N)CCC3)CC2)CO1 1660428163 MMPVZLMCQCQIDX-MRXNPFEDSA-N 406.527 1.945 30 10 HDEE COCCc1ccc(OC[C@H](O)CNS(=O)(=O)c2ccc(C#N)c(C)c2)cc1 1665005515 DABTUZIUSBNXOK-GOSISDBHSA-N 404.488 1.774 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cccc3c2OCCO3)CC1 1670995768 GFKUKNBOGCOASB-UHFFFAOYSA-N 403.435 1.979 30 10 HDEE C=CCOc1cccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1673783016 STOGUNXWHKOMLQ-BTUGKURYSA-N 407.492 1.584 30 10 HDEE N#Cc1cn(CCNC(=O)NC/C=C\c2ccc(Br)cc2)c(=O)nc1O 1682626522 DQQGTVPFLYFKBY-UPHRSURJSA-N 418.251 1.596 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1683537427 SWHDJHYRPSIKKY-IEBWSBKVSA-N 400.479 1.400 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCCCCCNC(=O)CC2)[C@H](C#N)C1 1686056412 XCVFXFYKVQTRJO-HZPDHXFCSA-N 407.515 1.837 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCNC(=O)OC(C)(C)C)n1 1690107749 ALFPRRZMRWVLRP-UHFFFAOYSA-N 417.514 1.594 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690463070 UPHSBPBMUPYDAT-IAGOWNOFSA-N 416.526 1.413 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1690532423 NSLATARPGKGNIW-AWEZNQCLSA-N 423.564 1.859 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2c[nH]nc2C)C1 1690684839 PNDRCIPAYLZHKS-SFHVURJKSA-N 413.526 1.960 30 10 HDEE CCN(CCC#N)C(=O)CN[C@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1691625805 NXJITMQECXMEJI-SIFVSHMBSA-N 402.539 1.533 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)c1 1693228775 BMDQLHUQGUVDCL-SFHVURJKSA-N 412.494 1.809 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCCO 1694127329 XYJDBBDHFXVUSF-QGZVFWFLSA-N 413.526 1.784 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1698491664 JTPQPQTVZFMMTJ-AWEZNQCLSA-N 417.482 1.592 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1 1705533794 ZXLWPFUQEYISPQ-IRXDYDNUSA-N 410.540 1.083 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C1CC1)N(C)C 1705550582 NWTYGLAOFAEGRB-QGZVFWFLSA-N 415.567 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC 1705581065 VYFLHQNDRQCBCD-UHFFFAOYSA-N 422.514 1.638 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC(F)F)c1 1705581096 SUOOOGMXRBVYLO-CQSZACIVSA-N 400.389 1.347 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1705585756 ZLLNMAIFIVGTPX-UHFFFAOYSA-N 414.473 1.102 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC1CC1 1705617315 QSPBJNFYUBXIDG-UHFFFAOYSA-N 400.508 1.255 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1705637925 RGKMADTWZBAUJX-LJQANCHMSA-N 410.570 1.554 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@H]1OC 1705879559 CZFOISXKHIGTNH-IAGOWNOFSA-N 407.515 1.204 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705890477 RRCZRDGVFXBOSI-MSOLQXFVSA-N 402.543 1.491 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COCC)C1 1705894783 LDGXRIOCNWWOOP-OAHLLOKOSA-N 413.482 1.090 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)C1 1705914344 LWMKLPMKDRBALD-HBIPHATFSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H]1C 1705936615 VBJIGQJTFNIOLU-QLFBSQMISA-N 416.569 1.016 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1705950338 XXRDPHMLFYJTRC-HOTGVXAUSA-N 409.556 1.623 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)CC1 1712885799 YKOBJRSMGBVRSP-ZWKOTPCHSA-N 416.526 1.802 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1722292689 ALAJJJZFOXGQOY-WBVHZDCISA-N 417.535 1.869 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722411047 WYEGSJUTBKCRBR-GOSISDBHSA-N 424.505 1.243 30 10 HDEE C=C(C)Cn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722553543 RVYFSXDCTNLPKZ-NRFANRHFSA-N 421.542 1.626 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722687284 RCGJQKPEFACNBZ-INIZCTEOSA-N 401.478 1.827 30 10 HDEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1722868164 AIGMOOJDCOQMQY-ROUUACIJSA-N 417.558 1.353 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1726811176 NQXAYWNCIZITFM-CBGDNZLLSA-N 413.478 1.338 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCOCC(F)F 1727607496 BWJNAYIOTOOGBT-ZDUSSCGKSA-N 406.441 1.499 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1730497260 FSHCQMACDQCMHW-LSDHHAIUSA-N 402.430 1.025 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)OCCO2 1730762591 HJLKZMPSDKLTKX-KRWDZBQOSA-N 413.478 1.968 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1730976720 BQZXKPMBTGDJPB-QGZVFWFLSA-N 408.466 1.623 30 10 HDEE CS[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1731046591 AILJVPDQPJVFDB-UKRRQHHQSA-N 400.508 1.792 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1740567874 WZCSHNVFPDSELO-ZWKOTPCHSA-N 422.599 1.756 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740571953 WSXVHECMNBAVRV-PKOBYXMFSA-N 414.554 1.722 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740575567 OXFQPRSPNLOHBF-IBGZPJMESA-N 414.554 1.724 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740589126 PNEBNTQRJADVHL-SJLPKXTDSA-N 401.511 1.665 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(N(C)C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740617714 WEHQZIPOVWSCGI-KRWDZBQOSA-N 423.583 1.139 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1740671588 KHLNHTLDLWYQFC-IBGZPJMESA-N 415.563 1.750 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N(C)C 1740684185 KWWKVRSAXMHTDM-HNNXBMFYSA-N 409.494 1.630 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1Cc1ccc(N2CCOCC2)nc1 1740685212 LEWRHEVIDJXXDH-UHFFFAOYSA-N 410.522 1.912 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCOC2)CC1 1740835379 FIAVTKJQCPPMCV-RTWAWAEBSA-N 406.527 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@H]1CC 1740959344 SJGKRTNZGVCYGH-DZGCQCFKSA-N 400.483 1.933 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)C1 1741984067 GQMSNZGZFSCQLU-IBGZPJMESA-N 415.523 1.506 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)OC(C)(C)C 1742838132 TZZUXDZVKSBAPZ-UHFFFAOYSA-N 412.498 1.705 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1747730277 HXAOPPBIPVHPEA-QZTJIDSGSA-N 410.478 1.543 30 10 HDEE CN(CC1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747867439 BDNQADIYBUIRTI-OAHLLOKOSA-N 419.507 1.556 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1748634264 CTAVLGJJCNTFJZ-GOSISDBHSA-N 414.554 1.617 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1748649925 UZPPJDFYRZLSOR-SJORKVTESA-N 411.506 1.907 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1748751811 MOSCBEKNTJRADR-ZDUSSCGKSA-N 405.471 1.116 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1748812148 QXRBHLHNPAWVMY-INIZCTEOSA-N 415.519 1.272 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1748847335 SFCGTVSKNKNXIZ-GDBMZVCRSA-N 417.560 1.822 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N(C)C 1748956299 BUBHDNGYWLPVHI-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1748963182 ZYPCMQUGWNKJCX-KRWDZBQOSA-N 413.526 1.429 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 1749303718 NSDVDAFBUYRDGS-ZWKOTPCHSA-N 424.567 1.780 30 10 HDEE C=CCCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOCC1 1749448279 XPZFEVSUBCYFGF-UHFFFAOYSA-N 406.508 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749721955 XPLHEZHZHNSOPA-CABCVRRESA-N 418.585 1.406 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1CC1CC2(CCOCC2)C1 1749821958 LDAYTZACAWLDQK-UHFFFAOYSA-N 418.542 1.990 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1749874490 UERBOZRAZNRJJQ-GOSISDBHSA-N 402.474 1.570 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OC 1750154765 UDNYMHDCVNPOFY-BBWFWOEESA-N 414.466 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)OCCc2sccc21 1760201988 PSWQBGUBPGHUOO-IIBYNOLFSA-N 409.515 1.852 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)N(C)C 1760206264 VAYGDSUBAQBAFL-ZWKOTPCHSA-N 405.568 1.229 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760217120 PNVRJVFNTQCQGW-UGKGYDQZSA-N 408.506 1.870 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1760233089 QPCZTISKGLAFFN-HZPDHXFCSA-N 404.515 1.850 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1760253913 YVFLYKGDSJORDX-OAQYLSRUSA-N 417.485 1.149 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCC(C)C)CC1 1760269427 IJNIXKPWPQZQND-LJQANCHMSA-N 417.554 1.811 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCNS(C)(=O)=O 1760297567 ZVPMPQXLGNAELT-HXUWFJFHSA-N 401.536 1.605 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cn(C2COC2)nn1 1760328173 RQAXIFYCSHRTMG-UHFFFAOYSA-N 400.487 1.128 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760354879 PZUFQFXSHVLBEN-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1760479345 LZMVFTMYRPCUNY-GOSISDBHSA-N 421.505 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760558147 HLKRMUOTVOTROE-HNNXBMFYSA-N 424.527 1.491 30 10 HDEE C[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1761393059 FBMRFXFURODIKL-WCQYABFASA-N 408.304 1.715 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cc1 1761779570 ICOOYOWZGJGOHI-HNNXBMFYSA-N 402.524 1.985 30 10 HDEE CCCNC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1764584666 SVACGMVWZKSYFT-RBUKOAKNSA-N 408.478 1.287 30 10 HDEE CCCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766251004 NRSMOYWIWSSJAU-UHFFFAOYSA-N 418.461 1.401 30 10 HDEE CCN1CCN(CCCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCOC)CC1 1767155869 BWPPAUQOSBFIOH-UHFFFAOYSA-N 411.554 1.927 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cccc(OCC(N)=O)c2)cn1 1767455301 IASGTKASYJUUIA-FQEVSTJZSA-N 424.440 1.033 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(CC)C1CC1 1767864028 MXLBHGILHQCTOS-UHFFFAOYSA-N 411.510 1.834 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1767923566 IXTIREKZTZGFRU-KRWDZBQOSA-N 414.466 1.155 30 10 HDEE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1769246339 HQTYWTZNMPSRIH-KRWDZBQOSA-N 422.493 1.528 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)C1 1770726126 AURSJWLPNJGWJK-SFHVURJKSA-N 419.486 1.483 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#Cc1cccnc1 1850185588 WTLJAECIPXJHRN-GOSISDBHSA-N 400.504 1.355 30 10 HDEE COc1cc(OC)nc(O[C@H](C(=O)NCC#CCN2CCCC2)c2ccccc2)n1 1851663525 KOOJTBZXHCAMRG-FQEVSTJZSA-N 410.474 1.829 30 10 HDEE C=CCN1CCN(C(=O)CN2C(=O)C(=O)N(Cc3c(F)cccc3Cl)C2=O)CC1 1851667298 MZDMMVMGRAXSDE-UHFFFAOYSA-N 422.844 1.100 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)c2nc(C)c(Br)c(C)c2C#N)CC1 1851845308 GPWITZZJWWFBJD-UHFFFAOYSA-N 415.313 1.440 30 10 HDEE Cn1ncc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1Br 1852449533 YCXQGSRKLVZXGQ-UHFFFAOYSA-N 408.300 1.797 30 10 HDEE N#CCCN(Cc1ccccc1)C(=O)c1ccc(N2C(=O)CS(=O)CC2=O)cc1 1852701630 XUSQQBOTIJLMPT-UHFFFAOYSA-N 409.467 1.865 30 10 HDEE COc1ncc(I)cc1C(=O)N1CCc2[nH]nc(C#N)c2C1 1853023340 PJYQHMROQSGFQY-UHFFFAOYSA-N 409.187 1.488 30 10 HDEE C=CCN1C[C@H](C(=O)OCCSCc2nnnn2-c2ccc(F)cc2)CC1=O 1853639219 XCOXJVCCTIPCRN-CYBMUJFWSA-N 405.455 1.612 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(OCC)cc3)C(=O)C2)C1 1853915717 BLTLOVKDHOBKBA-QZTJIDSGSA-N 401.507 1.784 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2=O)C1 1854291596 OEJHAMMXIAJVIO-KRWDZBQOSA-N 407.430 1.713 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCSCc2cc(=O)n3cc(C)ccc3n2)CC1=O 1854971285 GXFXWVWIPWINMP-HNNXBMFYSA-N 401.488 1.814 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855321955 PJSVWRHSMBUBPD-YOEHRIQHSA-N 402.428 1.873 30 10 HDEE C=CCCN1CCC(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1855623244 RRZSYIMJMGGXEF-UHFFFAOYSA-N 409.508 1.240 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1855823921 DCZZZTXVTMIXQH-MSOLQXFVSA-N 411.568 1.606 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1855823924 DCZZZTXVTMIXQH-ZWKOTPCHSA-N 411.568 1.606 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)ccn1 1855921551 YUVORIHZNVMVBK-QFBILLFUSA-N 407.478 1.478 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235256 DSJFTKPLMNHDRK-WBVHZDCISA-N 416.501 1.618 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)CCC(=O)N2CCN(C)CC2)c2ccccc21 1856694047 XEHVEULZODZYPQ-QGZVFWFLSA-N 411.506 1.613 30 10 HDEE Cc1cccc(CC(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c1 1857073569 RXOTURLCSWHBDR-HXUWFJFHSA-N 403.486 1.754 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)Cn3nnc4ccccc43)C1)CC2 1857287466 PVUPUSUMZSHMCJ-SJORKVTESA-N 406.490 1.822 30 10 HDEE C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCN(c2nnc(C(C)(C)C)c(O)n2)CC1 1859430398 ZSDSFNWNFWVVMR-CQSZACIVSA-N 409.494 1.896 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2CC 1864327291 SGSNSWLQZIIBBX-QGZVFWFLSA-N 412.490 1.833 30 10 HDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868783937 UOWBFEKTZFJANL-YOEHRIQHSA-N 404.536 1.513 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870558605 HQQSRMWHDDGGAW-HDICACEKSA-N 401.507 1.482 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871034380 MOQIWJRKJSIICE-UHFFFAOYSA-N 423.473 1.760 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1cccc(OC)c1 1871034493 RTQDSQVRBSBLPA-UHFFFAOYSA-N 413.474 1.893 30 10 HDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(NCCOc3ccc(OC)cc3)ncnc21 1875232392 GSIDGAPJMQOEQL-UHFFFAOYSA-N 423.473 1.934 30 10 HDEE CC(C)c1nc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)cn1C 1891598110 FWXPCSIFIWWOSG-UHFFFAOYSA-N 404.496 1.685 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1981509836 SKEWJTCSVXIQMU-NEPJUHHUSA-N 413.334 1.432 30 10 HDEE Cn1nnc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2074368940 WGJIAHCJOJQKSO-GHMZBOCLSA-N 414.308 1.022 30 10 HDEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](S(=O)(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195273603 ZOGCMBMXZJSXSO-KYZVSKTDSA-N 405.513 1.875 30 10 HDEE O=C1NC(=O)N(CC#CBr)C(=O)[C@@H]1c1cccc(Br)c1 2198127465 LERLYZPLCWMRBJ-SNVBAGLBSA-N 400.026 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@@H]1CC#N)C1CS(=O)(=O)C1 2234013427 CZLUKWNRBYSPMR-RYUDHWBXSA-N 407.439 1.074 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384778 WEXLQJTVNJOQND-VXGBXAGGSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243757321 PSWQWUJGWVVTFR-ZDUSSCGKSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245254498 RLZZLXHNNRVBIU-HQPKTYMTSA-N 409.336 1.889 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247837437 RYICMJURVRMOOT-BETUJISGSA-N 420.319 1.505 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258173648 OQUSFQZBZJQUEE-IAGOWNOFSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3CN)cc2Cl)OC1(C)C 2267710090 NPOOXDSBWBYPHN-JTQLQIEISA-N 406.766 1.813 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NOCCN)c(Cl)c2)OC1(C)C 2267719047 BTUQTGCZBWZUHA-UHFFFAOYSA-N 411.116 1.461 30 10 HDEE N#Cc1cc(F)cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270532957 XMOPRBZZWDUZSZ-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1O 2282321286 VJRWXKQNYIADMQ-QWHCGFSZSA-N 401.359 1.938 30 10 HDEE CC[C@@H]1NCC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282327611 KYNYONWCGFWAIZ-QWHCGFSZSA-N 400.375 1.775 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282415149 CPRSCRKJXSYBNZ-WCQYABFASA-N 401.359 1.747 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1ncon1 2282509105 GKDVVIKDYWTWBB-SECBINFHSA-N 400.291 1.006 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2CCCC3(CC2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282571788 FESKZPMOZOCWRE-CQSZACIVSA-N 405.304 1.525 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282603582 IUSOCRZIUVSTGO-WDEREUQCSA-N 400.331 1.090 30 10 HDEE CC1(C)[C@H](O)C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882133 HLRCZZAQDHZGNK-SMDDNHRTSA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2c(Cl)cccc2C(=O)NCCCS(C)(=O)=O)OC1(C)C 2283111107 DTLLGYMGTDCKID-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]1CC(=O)O 2284393416 KMAKJDUSNFMFOG-LLVKDONJSA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@]2(C)C(=O)O)OC1(C)C 2284394650 ATPNBTRUMNFHNS-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316811568 PMNIJOJKBCOCSK-INIZCTEOSA-N 408.520 1.947 30 10 HDEE CCN1CCN(C(=O)C(=O)C=Cc2ccc(OCC(=O)N(CC)CC)cc2)CC1 2323177684 BMJYEUVQIHHYJC-UHFFFAOYSA-N 401.507 1.680 30 10 HDEE Cc1ccc(O)c(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329056019 VDCCWZALTCDWLU-HNNXBMFYSA-N 403.508 1.983 30 10 HDEE CN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](CC#N)C(F)(F)F 2335515437 MDGNWKXLMYSVKK-ZJUUUORDSA-N 401.407 1.227 30 10 HDEE C[C@@H]1CN(C(=O)c2cnsc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c1nnc(N/N=C/c2c(C)nn(C(C)C)c2C)n1N 20911363 AVZYQZZIZJCKFC-DJKKODMXSA-N 407.548 1.793 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 29149685 ARZMKJRFHZJXML-UHFFFAOYSA-N 421.500 1.336 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1 72444226 OQZIINZUCOVLRU-GJZGRUSLSA-N 407.430 1.337 30 10 HDEE COc1cccc([C@@H]2c3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72445066 JIWGUGUSLJRLLC-LNSITVRQSA-N 409.446 1.944 30 10 HDEE N/C(CN1CCC(NC(=O)c2ccccc2I)CC1)=N\O 110825321 LSEIHUWITVHFQJ-UHFFFAOYSA-N 402.236 1.232 30 10 HDEE CCc1cccc(C)c1/N=c1/c(=C2C=C(OC)C(=O)C(OC)=C2)[nH]c2n1C=CNC=2 139325557 UKNXHMDKVUZXPC-RWEWTDSWSA-N 404.470 1.483 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1CO 257511199 PFPNLISKAPWUFU-AQZPWELQSA-N 406.475 1.402 30 10 HDEE biogenic C=CC[C@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 410067319 NWVSGAQMXYQBEY-OAHLLOKOSA-N 406.508 1.122 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2C)CC1 432945508 RUVNNXFWMKVLLI-UHFFFAOYSA-N 401.916 1.266 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)n2)c(Cl)c1 442080874 IKSHIFBFCGWVBE-ZDUSSCGKSA-N 419.894 1.662 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2cc(Br)cc(C(N)=O)c2)cc1 443012652 STNPPDJIIJUTOJ-UHFFFAOYSA-N 424.276 1.777 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)ccc1Cl 443155124 KJNJPRZFURSMCT-QGZVFWFLSA-N 405.907 1.909 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 464952514 MCRXDMUTIVITGE-HZPDHXFCSA-N 407.482 1.027 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 480448441 WKRWTNWXWRTMDX-OLZOCXBDSA-N 401.444 1.831 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@](O)(C(F)(F)F)C2)c(C#N)cn1CCOC 481487250 BGKZYHRNWTUJQL-MRXNPFEDSA-N 418.372 1.714 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[nH]c2c1 484041232 XPZPDSYWTSYIOE-UHFFFAOYSA-N 420.448 1.847 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1C#N 489669689 SZDQDAWOAMZJRD-UHFFFAOYSA-N 406.489 1.280 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2)nc1 490027654 BFBBVSJDWRCWKG-QGZVFWFLSA-N 412.471 1.261 30 10 HDEE CC(=O)N[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 494504926 DSXQAIFVINZBEO-IBGZPJMESA-N 418.519 1.086 30 10 HDEE CC[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)F 498847426 XRXZKKHKIRISLA-ZFWWWQNUSA-N 414.478 1.413 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 518045469 PTFFBBCCZRVBHU-RHSMWYFYSA-N 409.442 1.766 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 524575179 GMKHJLNFZPNWFW-WBVHZDCISA-N 422.526 1.699 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CC(N)=O 526037975 LFJLTZSTOGKAGA-UHFFFAOYSA-N 417.437 1.205 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@H]1CN1CCOCC1 533312205 BTZJWWNUFJPXJX-FQEVSTJZSA-N 408.506 1.869 30 10 HDEE CC(C)N1C(=O)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1(C)C 540552538 QKKMLLHPJPQGJW-KRWDZBQOSA-N 417.579 1.788 30 10 HDEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 541798800 MYHKRPOBDSUQDE-UHFFFAOYSA-N 414.487 1.422 30 10 HDEE CN(C)CCCNS(=O)(=O)c1ccc(-c2noc(-c3cc(C#N)cn3C)n2)cc1 545641388 LSXRUTWYYRUCGV-UHFFFAOYSA-N 414.491 1.844 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)C1=O 546077421 JRVSAUSBASQYRD-SFHVURJKSA-N 414.487 1.741 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OC 546185606 HWZJQAKSMCOUMR-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE NC(=O)[C@H]1CCN(CC#CCN2CC[C@@H](C(N)=O)c3ccccc32)c2ccccc21 551389884 NHNYEYBVYKKRGH-BGYRXZFFSA-N 402.498 1.948 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1 554914135 BNMSVXXHCKHREV-UHFFFAOYSA-N 401.485 1.027 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)OC2CCC(NC(=O)[C@@H]3CCCO3)CC2)cc1 586507426 ZKYPWPKCXOLKTD-HTWSVDAQSA-N 410.492 1.957 30 10 HDEE C=CCc1cc(CNC(=O)NCCCN2CCCS2(=O)=O)cc(OC)c1OC 586605389 PNLBWZKXLRNWQS-UHFFFAOYSA-N 411.524 1.657 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)c(F)c1 609229224 WLUMOXDWTIRSSQ-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE COCCCN(Cc1ccnc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 610994620 YMHDXFLOVVWDNX-UHFFFAOYSA-N 420.473 1.889 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 611099376 IKSSNKDKJKRXOZ-UHFFFAOYSA-N 423.433 1.444 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(C(=O)OC)c(F)cc1Br 611548372 SETZIURKKZWPLF-UHFFFAOYSA-N 403.204 1.632 30 10 HDEE COc1c(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cccc1C(N)=O 611843595 HRPIJCBINBAFIQ-UHFFFAOYSA-N 410.434 1.885 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 619510250 OGYZGMYWWWWBKT-INIZCTEOSA-N 409.490 1.970 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 619830359 IXLWANPIBNRGHH-INIZCTEOSA-N 408.466 1.886 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3ccc(C#N)cc3)n1C[C@@H]1CCCO1)CC2 619850960 WBOZGVYRZWUWOX-SFHVURJKSA-N 417.473 1.652 30 10 HDEE C=CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(CC(=O)N(C)C)CC1 669815578 GSYQQILDMIEPGG-UHFFFAOYSA-N 407.522 1.833 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 679531325 WEMAKNUWFNLMJP-HNNXBMFYSA-N 409.508 1.365 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 731861009 FXYQPZBUDLLLDB-KRZJZYHWSA-N 402.838 1.336 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1cccs1)N1CCCC1 732440996 BIBLHQJFLFDNDA-DNZUHHBVSA-N 403.508 1.711 30 10 HDEE Cc1cc(C)n(-c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)n1 732445675 AZIKCRTVKKSTNE-HNENSFHCSA-N 409.450 1.210 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732468108 CEGHCAKLIGIOEW-JFVSRZABSA-N 407.471 1.164 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCN1C1CC1 732697374 XBXHTAQTTCZGCZ-IBGZPJMESA-N 412.494 1.161 30 10 HDEE C[C@@H](CC#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 733711048 SIJCFIISECRAFK-NSHDSACASA-N 417.281 1.929 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734292203 FRLOWXKXIJJVQW-HNNXBMFYSA-N 413.455 1.733 30 10 HDEE COc1cccc(CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 742397179 MCBHVKSEOOCRAQ-UHFFFAOYSA-N 414.487 1.106 30 10 HDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)cc1C#N 746775206 HVDOPKHPFZGKTP-UHFFFAOYSA-N 413.522 1.797 30 10 HDEE CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N(C[C@@H](C)C#N)C3CC3)n12 754175358 POPORCHMAIGHHB-NSHDSACASA-N 403.516 1.048 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)o2)c1=O 758066500 BQDOWFZSBMQNIU-UHFFFAOYSA-N 404.447 1.839 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760405028 JQASSGUMYOXQII-IFXJQAMLSA-N 424.523 1.407 30 10 HDEE CC(C)NC(=O)CNC(=S)/C(=C(/O)c1ccc(C#N)cc1)n1ccc(=[N+](C)C)cc1 762440512 SBQRCUPXDLCOJK-UHFFFAOYSA-O 424.550 1.717 30 10 HDEE CC[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCN1CC(F)F 765716130 IOWCHOKCARBUMR-KRWDZBQOSA-N 405.449 1.941 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1 772568880 AWTOHYPALHAZTP-MRXNPFEDSA-N 400.306 1.863 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCC2)CCCC1 786298008 UAMSNJFFVPETIB-HNNXBMFYSA-N 415.494 1.574 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3ccccc3F)C2=O)n1 788366901 RDKDRROZDOUPBC-NRFANRHFSA-N 413.453 1.529 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(C[C@@H]2CCCO2)C1=O 790747610 QGXDTNZMAGMMEB-GJZGRUSLSA-N 410.565 1.927 30 10 HDEE C[C@]1(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC(=O)NC1 798840264 VWDQUOGSIIIQLU-AWEZNQCLSA-N 400.254 1.042 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 801959935 MZSIGAWKOAMRRB-PZJWPPBQSA-N 406.933 1.981 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=C1CCCSC1 814687812 VFEXFDMBTBUJRP-UHFFFAOYSA-N 400.482 1.911 30 10 HDEE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1 816695116 VVCCNTOYEBDQFI-INIZCTEOSA-N 405.432 1.216 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1C#N 849494032 OWVOYYLARNCHIX-SJLPKXTDSA-N 412.542 1.619 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914595020 QDBXVHBHTNSXQP-SQWLQELKSA-N 408.476 1.293 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NCCCOC(C)C)C2=O 916873256 VBZYOPHGDUAPKL-RDYUPDBUSA-N 406.483 1.127 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@H]2Cc2cccc(F)c2)c1=O 917475007 WQVPZQBNCAWQPD-SFHVURJKSA-N 400.454 1.347 30 10 HDEE COc1ccc(/C=N\[C@@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 1082485431 HACFRBFDVVSBHH-DXNKMBTDSA-N 413.710 1.766 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1=O 1126112267 JBDSRJFFAUCBRA-OAHLLOKOSA-N 415.291 1.998 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@H](C)CC#N)CC2)cc1OC 1126199165 AEXJUZSYTVUYNI-CQSZACIVSA-N 409.508 1.770 30 10 HDEE N#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CCCC1 1133069734 FSCAZCNHSFONPV-RDJZCZTQSA-N 417.487 1.822 30 10 HDEE CN(CC(=O)N1CCC2(CC1)CC(=O)C=CO2)S(=O)(=O)c1ccc(Cl)cc1 1134300986 HAAKTNPJGKCNGT-UHFFFAOYSA-N 412.895 1.825 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1137919809 WHPOCUQZVAPOLP-HUUCEWRRSA-N 416.565 1.588 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)s1 1139988508 ACUMOTURBDUDBK-SUMWQHHRSA-N 400.522 1.161 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)CC1 1140132808 PKBABAWIIYENLW-DLBZAZTESA-N 408.543 1.210 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)CC3(C#N)CCOCC3)C2)CC1 1140303155 NSKJEYDFWDJDGM-KRWDZBQOSA-N 406.527 1.850 30 10 HDEE CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1148816110 FLHBDHLKMAAVJA-DSGZJRDPSA-N 400.497 1.933 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)s1 1155932505 RRCGOAPCGOGUSD-RDTXWAMCSA-N 414.549 1.551 30 10 HDEE N#Cc1cccc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1[N+](=O)[O-] 1162153416 VEZIKILTDMDPIY-UHFFFAOYSA-N 416.463 1.425 30 10 HDEE N#CCC(=O)N1CCN(c2ncnc3cc(I)sc23)CC1 1163623670 GZPURTUATDIFML-UHFFFAOYSA-N 413.244 1.858 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCO[C@@H]1CC1(F)F 1165684262 YQWVAOYDNQJCOE-OAHLLOKOSA-N 415.462 1.826 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C3CCOCC3)CC2)cc1 1166094394 QCSLNMULTIVUDZ-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE COC(=O)N(C)CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1166944809 SZLKPHMOOCUYMV-UHFFFAOYSA-N 410.496 1.100 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)CCOC1 1167321315 PBPITLYUPVOYAC-SFHVURJKSA-N 412.273 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)nn2)C1 1175030269 PQDSDYBSBNWNNA-MRXNPFEDSA-N 408.462 1.839 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccsc3NC(=O)c3ccco3)C[C@H]1CS(=O)(=O)C2 1178757486 ROMWQOAQVJGIQN-GTNSWQLSSA-N 405.457 1.604 30 10 HDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1185769819 HGCFJHSVXJIWKR-ZDUSSCGKSA-N 420.413 1.289 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190932712 XXGBDVWBRXEHBZ-STQMWFEESA-N 415.899 1.860 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(SC)c2)CC1 1219123450 GFHHJKFJBXUMEI-UHFFFAOYSA-N 402.929 1.679 30 10 HDEE C#C[C@@H](NC(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCOCC1 1221483511 DZHMIDMLTZPZKU-OAQYLSRUSA-N 401.507 1.625 30 10 HDEE N#CCNC(=O)CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1227975081 LFLFGMYGYUYTMT-BQBZGAKWSA-N 408.249 1.439 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CCOCC1 1253347672 HOEXVAGHIKKPDR-FQEVSTJZSA-N 419.547 1.748 30 10 HDEE C[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCN1C(=O)c1cscn1 1275030335 SQRZRAJMUUHHDE-HOCLYGCPSA-N 423.498 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1286270740 NEDZOLLXODXIIK-OFJJUDJNSA-N 413.547 1.899 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1286347203 IFTYVFZIFYUYDF-SFHVURJKSA-N 403.490 1.841 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1286393932 MEXQXFGERFGCAS-MRXNPFEDSA-N 420.510 1.858 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286394677 POVKDRUQSYRTJU-IBGZPJMESA-N 421.611 1.835 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286395876 SQPWHMIDBHNNIB-IRXDYDNUSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286407166 QJFCINXZDXYOAA-FQEVSTJZSA-N 419.533 1.356 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1286505723 ADZSTVDBCYJADJ-JKSUJKDBSA-N 414.597 1.798 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1286722347 ICGYPRKFQHUXMB-UHFFFAOYSA-N 404.478 1.790 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1286790785 XADXYRCWFGVOEQ-KRWDZBQOSA-N 400.527 1.275 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1287424451 YNIFYNIEAXYCIC-AWEZNQCLSA-N 400.884 1.129 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1287602098 BRADLHWDUYQXFU-UHFFFAOYSA-N 423.583 1.936 30 10 HDEE N#Cc1csc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)n1 1289334214 YIOZDSCDDNFRRD-KQQSKNTNSA-N 409.471 1.434 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1292936401 BSRJVOQDIMBHAR-MRXNPFEDSA-N 401.488 1.496 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1294975671 BNEYEJQSWFFEKO-ACJLOTCBSA-N 418.494 1.732 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1295083498 GSACVVUBNXXQAA-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1298102601 AASZBCFHEYLXRW-GOSISDBHSA-N 424.477 1.341 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1300267543 HBBHUYOIRCWUSQ-ZWKOTPCHSA-N 424.553 1.409 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C(N)=O)CCCC1 1300441739 YACWZPCCBRURQV-UHFFFAOYSA-N 415.519 1.464 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)NC(C)C 1300586607 FXKXXOJVVKBOEJ-UHFFFAOYSA-N 414.535 1.055 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)O 1300649068 KGJUEFJNZNJZPC-UHFFFAOYSA-N 419.913 1.718 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1300727310 WGDWJTFILFNYDH-BHIYHBOVSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300756836 VACSXGXFOGPDAH-MRXNPFEDSA-N 416.551 1.044 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300884592 KVDMDZVMCYJRRZ-ZWKOTPCHSA-N 423.583 1.902 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@](C)(C(F)F)O1 1301081516 QSOKFVPZCMCMAK-PIGZYNQJSA-N 401.435 1.386 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn(CC)n1 1301325130 BTKMWZXYRORZQA-OAHLLOKOSA-N 404.496 1.212 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301451835 CMDBICYHYXPASS-WOJBJXKFSA-N 418.586 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cccnn2)CC1 1301489950 IANRJZVVQZBBER-UHFFFAOYSA-N 408.466 1.265 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1302450835 WNYYQHGSQYCUBD-HOTGVXAUSA-N 411.528 1.463 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4C[C@H]3CO4)n2CC(=O)NCC(F)F)cc1 1302989866 VPHJEIGKPYROEL-GJZGRUSLSA-N 402.405 1.566 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1303001151 ODQWOPIJNBQXJC-CYBMUJFWSA-N 403.455 1.202 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1303952771 VLRVWGLVMFFDPI-OAHLLOKOSA-N 422.493 1.580 30 10 HDEE CC[C@H](C)c1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305505032 GTFNUMISZNEFTO-PFANNTFUSA-N 402.499 1.933 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@@H](F)C(N)=O)CC2)cc1 1310131916 VRQUABJXNBAPBR-MRXNPFEDSA-N 412.487 1.560 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)C1CCN(C)CC1 1311349385 NXOFOYVXDQOCKO-QFIPXVFZSA-N 414.550 1.808 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1311487876 XRAGLZQAQULWEA-GOSISDBHSA-N 407.559 1.326 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1312903670 JLXCPWJQTKTIKH-KVSKMBFKSA-N 407.478 1.884 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1315042035 DAGDCHFVFNUOMG-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)c1 1315560548 BGCJTBUCLXTIAC-RDJZCZTQSA-N 412.494 1.816 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1356174930 IOOKWSPFKDDKGU-MRXNPFEDSA-N 413.565 1.669 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1358870122 GFZZMYCNANJWOF-VLIAUNLRSA-N 417.897 1.471 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1358890838 WFSQFXUUKUQRBO-PBHICJAKSA-N 421.498 1.256 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1358919127 SENGEOCJYFYTBQ-UHFFFAOYSA-N 419.493 1.847 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1359013268 RFRHWFPUQBXHIT-MRXNPFEDSA-N 416.551 1.450 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)NCC(F)(F)F)CC1 1359160259 PVHAPFDEXOUNRO-ZDUSSCGKSA-N 405.421 1.837 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1)C1CC1 1359251887 YFGIJSAQEKZPGR-MRXNPFEDSA-N 409.556 1.956 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1CC(=O)N1CCOCC1 1359280271 KORGFRXUPYYWDU-UHFFFAOYSA-N 403.458 1.582 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359292301 MPPVBIMXYFKMNA-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccn(C)n2)C1 1359326481 BDKVVSOAVVWAOQ-WDSOQIARSA-N 416.526 1.760 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1360288768 FZHKRLUXOXPCMI-GOSISDBHSA-N 419.493 1.774 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1360475436 AQXPMIJLNZFALD-ZBFHGGJFSA-N 403.508 1.867 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)C1=O 1435245213 IZRKDIUOGBXRDV-FQEVSTJZSA-N 424.498 1.409 30 10 HDEE C#CCN(CC(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C 1442037159 VRJPAEZJKWABTF-QGZVFWFLSA-N 418.416 1.547 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(-c3nncnn3)cc2)cc1 1452767964 RFKILBHGUPTXDM-UHFFFAOYSA-N 408.443 1.036 30 10 HDEE C=C1CN(C(=O)CCC(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)C1 1453262639 IKDFTNUKOSLYLN-UHFFFAOYSA-N 405.499 1.499 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1464425230 CHWYBOFJDXJNIP-WKILWMFISA-N 412.533 1.178 30 10 HDEE COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CCO2 1466724369 BEUFZHPHJBBCBJ-FZKQIMNGSA-N 415.471 1.874 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1468873213 OEZVQAHNFBVFES-DAYGRLMNSA-N 406.504 1.648 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 1469757474 CWYUTEADAFCKAK-IBGZPJMESA-N 401.507 1.740 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCC#C[Si](C)(C)C)s1 1469983734 OVPAYPVOXFOCDN-UHFFFAOYSA-N 415.613 1.050 30 10 HDEE C[C@@H](Oc1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360296 FYBNIFUVBVOYCO-SNVBAGLBSA-N 407.224 1.167 30 10 HDEE C#CCNC(=O)CCN1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1473800361 PXJGSYVVLLYMHH-KDURUIRLSA-N 404.555 1.674 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2c(Br)cnn2C)c1 1475573207 YZQSFLPPWLBQRX-UHFFFAOYSA-N 413.297 1.577 30 10 HDEE C[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)CN1CCO 1478475795 GCPFWQXFNKRASH-HEZAVNPASA-N 401.511 1.740 30 10 HDEE COC1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1504469849 ISICBGRDWGSYFA-GYXIZQIFSA-N 409.556 1.981 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1504476983 BAZIWXHXJBWMEP-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnc1C 1505002735 XOVSPWYLJODURT-WBVHZDCISA-N 403.487 1.326 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCSCC1 1505073433 SKEDKBWPSCXFLD-BXWFABGCSA-N 424.546 1.493 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1507612875 VSYZRWWANHPBSC-OAHLLOKOSA-N 408.462 1.067 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)c1ccco1 1507613374 ZFIZDUDUYWBDKV-JOCHJYFZSA-N 418.457 1.762 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(F)cn1 1507714509 PVBXIBUUCYYPIG-YJBOKZPZSA-N 403.458 1.671 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(F)cc1F 1508080799 QYGLCRFETOPJCW-UHFFFAOYSA-N 401.421 1.895 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1508084761 BMNVGJXBIYMZOP-UHFFFAOYSA-N 401.486 1.856 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)CCOC1 1508413799 VWUFGXBOIJZROD-OPYAIIAOSA-N 420.558 1.635 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1508427226 LCLQZOWSYGJGQR-JKSUJKDBSA-N 410.478 1.836 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517759033 BSJSHUNNPJSHCA-INIZCTEOSA-N 406.494 1.912 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(COC)CCCCN2C(=O)OC(C)(C)C)CC1 1519096447 UYXBNVUBBLUUNK-JOCHJYFZSA-N 421.538 1.781 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(NC(=O)OCc2ccccc2)CC1 1519179528 PCVPTQYJXICCFI-INIZCTEOSA-N 420.473 1.844 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 1535780889 KBXMWKYTGADUPQ-UHFFFAOYSA-N 412.423 1.593 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CC1 1539324249 RXUAPIXTSNTWHD-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1539378367 ZDMXOMOJEIONOQ-IBGZPJMESA-N 403.508 1.535 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1539417402 GGNWUXFYVISZBU-LJQANCHMSA-N 410.522 1.608 30 10 HDEE Cn1nnc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1C(F)F 1539435675 FBMDECMZQHALFH-LLVKDONJSA-N 403.349 1.468 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCOC2=O)CC1 1539447532 UKXHVPBWNGJFOO-QGZVFWFLSA-N 402.499 1.117 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 1539480593 CRQCMVNVNONIDA-UHFFFAOYSA-N 416.570 1.605 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539824360 RFPHEFWBFOOSBW-LSDHHAIUSA-N 415.947 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540902018 XZNZGGOVOOXSPQ-QWHCGFSZSA-N 404.558 1.014 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnnn3CC2)c1 1543096173 FOQAFAURUFEVQB-ZCBJIMFGSA-N 417.495 1.077 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1554504192 WRRSPYKIXRIPIC-OAHLLOKOSA-N 424.477 1.847 30 10 HDEE C#CCN(CC(=O)NCc1cnc(N2CCOCC2)c(F)c1)C(=O)OC(C)(C)C 1556120888 ZIYWKJQALURWEY-UHFFFAOYSA-N 406.458 1.544 30 10 HDEE C=CCn1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1557103635 KTFIOKAZZXWCTB-UHFFFAOYSA-N 416.507 1.379 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NOc2cccc(C#N)c2)c1 1557921183 OTSMSJRYPNMSTO-UHFFFAOYSA-N 410.249 1.953 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)n1C[C@@H]1CCCOC1 1558642991 IXABWNANOUBUQW-ABSDTBQOSA-N 405.520 1.542 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1560205944 LDWUQXCVDBQVCB-AWEZNQCLSA-N 415.918 1.962 30 10 HDEE C#CCCNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1565728150 CPGIBGPEOSFYCR-HXUWFJFHSA-N 405.454 1.909 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 1570858693 DHBGKAOSQSYLBC-HIFRSBDPSA-N 404.410 1.828 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC(C#N)CC3)CS(=O)(=O)[C@H]2C1 1583830042 ICKKOCBPFZMHPG-OAGGEKHMSA-N 411.524 1.419 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(c2ncc(F)cn2)CC1 1584683853 IJOHNWWLWDLMFB-OAHLLOKOSA-N 406.462 1.851 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2nn[nH]n2)CC1 1585535589 ZYBDVGGRBTYVQF-AWEZNQCLSA-N 404.272 1.304 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1587667729 LZABIODSZCYQGP-MRXNPFEDSA-N 405.524 1.481 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1587830955 DXRGUYCUEWIRDZ-MRXNPFEDSA-N 405.466 1.036 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1587990247 UOSNMOHNGWLUFH-IBGZPJMESA-N 411.506 1.971 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588053702 HIOLVLMEUPKEIR-ZWKOTPCHSA-N 422.551 1.573 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1594608917 YLISXWYUONXOCQ-UHFFFAOYSA-N 424.553 1.836 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CCc1cnccn1 1595523133 QHDNKZAEOFILQX-UHFFFAOYSA-N 407.478 1.725 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1595896341 XNTZGKYNKLGHCL-SJORKVTESA-N 421.567 1.704 30 10 HDEE CSCc1n[nH]c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1598037031 GOSHKAQKYOHMBN-NSHDSACASA-N 404.883 1.862 30 10 HDEE COC(=O)C1(C2(O)CCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)CCC1 1607271246 JQQAPBUKKKJZLH-UHFFFAOYSA-N 405.476 1.691 30 10 HDEE CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1615416014 RLEIEDCBZMZBQZ-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1616206258 ZSCJKYGOCROOSJ-RXVVDRJESA-N 419.526 1.866 30 10 HDEE N#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(Cl)c(Cl)c1 1616360973 GZDRNLQUAFLTNY-LBPRGKRZSA-N 408.249 1.592 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1618757731 GOOWFKZPQCZCOR-ROUUACIJSA-N 412.494 1.441 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCn2cc(Br)cn2)CCO1 1620356599 CVQPXTBVOHHIIC-ZIAGYGMSSA-N 422.287 1.518 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1622264633 FIBKOQMDSIOVEB-ONGXEEELSA-N 417.285 1.370 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1622752387 CUTCIALYTNIIOA-QGZVFWFLSA-N 404.511 1.808 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1623823079 MSUGTJVYKPKDID-CQSZACIVSA-N 403.464 1.827 30 10 HDEE C=CCNC(=O)CNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1624005532 JGTCXPDDRVNLRF-KRWDZBQOSA-N 404.511 1.430 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1625990268 TUBFQDNZMDWVFB-DLBZAZTESA-N 424.542 1.337 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C1CCN(C)CC1 1626637506 LHYUSHCWXHESQF-GOSISDBHSA-N 409.486 1.631 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1630039570 ZDAILEDCLIJXPH-GHTZIAJQSA-N 400.475 1.789 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](NC(=O)NC)C2)cc1OC 1632533314 TYLOTEOKJNIYLM-MRXNPFEDSA-N 406.483 1.755 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCN(C(N)=O)C1 1632807309 UEEPFWPIYJFRFD-NVXWUHKLSA-N 413.478 1.662 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(C)cc2Cl)CC1 1632961393 YUGNSHPPPPNTJC-UHFFFAOYSA-N 413.927 1.419 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1633559052 FJTVCGKAQHQOCD-KRWDZBQOSA-N 400.475 1.082 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 1637685695 SZKUKZZEJGQRFJ-SMDDNHRTSA-N 419.425 1.731 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCn4nncc4C3)C2)C1 1638486016 MUKAVQIQVCYBIJ-RDYUPDBUSA-N 400.483 1.797 30 10 HDEE N#C[C@@]12CN(C(=O)c3c[nH]c4ncc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1639175553 UKKVLSKJDKRIDZ-VFZGTOFNSA-N 409.265 1.336 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(F)(F)CO)CC1 1639385799 WRUHVJDIYXRMNH-CYBMUJFWSA-N 411.877 1.794 30 10 HDEE COCCOc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C(=O)NO)cc1 1639590868 CNSHSWLTNBFJKE-UHFFFAOYSA-N 410.430 1.947 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2CC(=O)OCC)cc1 1640554777 HDLCPFFKANMXKU-UHFFFAOYSA-N 406.464 1.471 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(Cc3ccnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1640704169 KNZGJAZIOGMNNH-QFIPXVFZSA-N 415.538 1.857 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)cc1 1640953010 ARIUQODLOOHAFK-JOCHJYFZSA-N 418.490 1.967 30 10 HDEE C[S@@](=O)C1(C(=O)NCc2ccc(C#N)cn2)CCN(C(=O)OC(C)(C)C)CC1 1642036962 ATYAGXACLQJOAA-MUUNZHRXSA-N 406.508 1.718 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](O)c1cccnc1 1642606198 FVXOEINEBLLUOS-RTBURBONSA-N 405.414 1.534 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 1642866943 NEXYMQBPQMULTP-HIFRSBDPSA-N 413.455 1.375 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 1643299127 CVTKJPIQZMSNGZ-OAGGEKHMSA-N 408.499 1.470 30 10 HDEE COC(=O)c1ccc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)s1 1643329447 LZUGXHREUCENBU-UHFFFAOYSA-N 423.494 1.956 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1643821908 HBYCQIFISAUNTF-ZDUSSCGKSA-N 416.956 1.612 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(CCC#N)CC2)C1=O 1643822479 ULMKKJIJFOTWRM-QHCPKHFHSA-N 419.485 1.665 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]2OCCNC(=O)[C@@H]21 1644268187 UCPDBKUILCXITI-IDHHARJASA-N 402.520 1.999 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)C1 1644472438 JSXCVLVPSIFGRI-XHDPSFHLSA-N 419.279 1.714 30 10 HDEE CN1CCc2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)ccc2C1=O 1644625459 MGYFUJGLLRKBMA-UHFFFAOYSA-N 412.471 1.382 30 10 HDEE C=CCn1c(SCC(=O)NCC[C@H](O)C(=O)OC)nnc1-c1ccc(Cl)cc1 1648251994 IUGIMIQCENIYQM-AWEZNQCLSA-N 424.910 1.917 30 10 HDEE CN(Cc1ccccc1Br)C(=O)CCNc1[nH]c(=O)n(C)c(=O)c1C#N 1650747357 IEYCYOILGAVDGE-UHFFFAOYSA-N 420.267 1.168 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)cc1 1653327425 LFMAXANRXJKOFX-UHFFFAOYSA-N 418.540 1.980 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 1654184669 YOFUEESWPPJVCC-IIBYNOLFSA-N 401.463 1.652 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCC2(CC1)CC(=O)C=CO2 1656299114 RAXCKNDITQLNJF-UHFFFAOYSA-N 401.463 1.396 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1=O 1656731908 FFLQDOLUEIVOIL-UHFFFAOYSA-N 413.437 1.775 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(I)cc2)CC1 1657040026 ZKSOWXSFOVOQRQ-UHFFFAOYSA-N 404.273 1.667 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OCC 1663384749 OCVNHGGKYHOYST-NSHDSACASA-N 400.409 1.542 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 1665123869 NHFHBNKNGGTXES-SFHVURJKSA-N 406.504 1.578 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)C1CCOCC1 1678887561 OQTIWOFCBOXBKU-GOSISDBHSA-N 422.503 1.002 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(F)c2)C1 1682015471 GCVGKGIZWUUONZ-MRXNPFEDSA-N 412.487 1.279 30 10 HDEE C#C[C@H](NC(=O)NCC1(S(N)(=O)=O)CCC1)c1ccc(Br)cc1 1683512613 OHZHPKHOMAQXRW-ZDUSSCGKSA-N 400.298 1.634 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)cc1 1684302908 DIHCLLVDMOPNHG-UHFFFAOYSA-N 404.423 1.318 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCN(CC)CC1 1689966650 YCAKBWYRIVLRCX-NRFANRHFSA-N 424.549 1.888 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1690137320 UXKSFHQJYAOTSV-MUUNZHRXSA-N 405.568 1.453 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1690183205 PPYXPSYSUAVFJK-UHFFFAOYSA-N 413.551 1.317 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(CC)CC1 1690202897 JQLDTUSUKYLXAL-PGRDOPGGSA-N 410.570 1.697 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690245293 GOMYXVDVKLJDRQ-ZBRFXRBCSA-N 424.567 1.369 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCOCC1 1694313983 AFACGMOVFKOYEW-INIZCTEOSA-N 417.558 1.657 30 10 HDEE COCCOC1(Cn2c(CC3CC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1698180550 QNZOXFKWNIQZAV-IBGZPJMESA-N 407.490 1.885 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1698485569 HYPMICLMXZPBGU-LJQANCHMSA-N 424.505 1.714 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1705510807 YSUXZMATKDCOBZ-KRWDZBQOSA-N 410.588 1.470 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1705544872 GZJCHFAMXVECPK-UHFFFAOYSA-N 417.491 1.260 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705653007 WEMUWXJRLMMNIP-INIZCTEOSA-N 405.568 1.914 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@@H]1CC 1705656875 LVXUCBJJNANVGE-HNNXBMFYSA-N 413.503 1.755 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2ccco2)C1 1705663835 DSLOWZSNKOLVCW-KRWDZBQOSA-N 415.519 1.938 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(NC(=O)C2CC2)CC1 1705930754 VDXJWJIECBKYJS-HNNXBMFYSA-N 423.583 1.887 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1706069333 AKZFAESVIRCQRN-IAGOWNOFSA-N 403.531 1.078 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCn2ccnn2)CCOC1 1706669112 JGWDMSPJIHZDAN-HXUWFJFHSA-N 414.514 1.740 30 10 HDEE CC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCOCC1 1706962754 BLIGSIVXSQHRCP-UHFFFAOYSA-N 410.478 1.482 30 10 HDEE CCOCc1nnc(N2CCC[C@H](C(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710704216 BVFJZRMRLYJPLP-WMQDPJMESA-N 424.452 1.823 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nc(C)no1 1711982397 HDLYLYQVJPJCOU-QGZVFWFLSA-N 423.477 1.931 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC[C@@H]1C 1712090667 YUQCFPYKGVNDLT-QFBILLFUSA-N 422.493 1.882 30 10 HDEE COCCN1C[C@@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1=O 1712471058 YTSDPSGUXOKMPL-ZWKOTPCHSA-N 416.526 1.407 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722287293 LSZBMWQGFZLLJT-HKUYNNGSSA-N 409.538 1.741 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1722332252 HAZNNCKYGJAFAA-ROUUACIJSA-N 407.584 1.762 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1722353484 WVGNRYANTZTAJO-HZPDHXFCSA-N 409.556 1.507 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722402130 HLGZXIRRJCOPTE-KKSFZXQISA-N 410.478 1.723 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2C[C@H](F)C2)CC1 1722437221 LJFMDPTZMDINIG-ULQDDVLXSA-N 409.531 1.074 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(C)(C)O)c2)CC1 1722437590 HERNFFLEQHISDE-UHFFFAOYSA-N 417.517 1.766 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)no2)CC1 1722447654 LCLKYCQBPLUJLO-SFHVURJKSA-N 412.494 1.830 30 10 HDEE C=C(C)COCCn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1722535575 KPWRAOJXAMZEGN-UHFFFAOYSA-N 420.535 1.993 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722620431 NADRYXAFRXNFQT-KRWDZBQOSA-N 421.542 1.783 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCO)CCOC1 1723691448 LMQKEVRQSFENJA-FXAWDEMLSA-N 407.515 1.600 30 10 HDEE CNC(=O)CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1729714800 LHNPSTHKRCWASF-GUYCJALGSA-N 402.455 1.087 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1C(C)(C)C 1730818919 JRBROCYVDVLHNX-GJZGRUSLSA-N 404.519 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1740532376 DXVRNHKSODNECY-KKUMJFAQSA-N 405.528 1.120 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740590862 KIZQQCSXIONFKZ-IAGOWNOFSA-N 421.567 1.335 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1CC1(N2CCOCC2)CC(OCC)C1 1740606395 BGTUOIZJFLOCKM-UHFFFAOYSA-N 410.522 1.679 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1740662221 GVACXIDWNQWBFO-UHFFFAOYSA-N 413.450 1.555 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC 1740769493 NJWPDASFKOENIA-UHFFFAOYSA-N 405.524 1.887 30 10 HDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1740778314 VYLUNSHIRAUJFG-ZDUSSCGKSA-N 419.555 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](COCC)C1 1740989448 NDHKYIVMMVMPDO-INIZCTEOSA-N 407.540 1.747 30 10 HDEE CC(=O)NCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1741113041 HAQPCSDTMGWGME-GOSISDBHSA-N 401.402 1.821 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1742179249 CCFGGCWEEAXRKK-HDRCJFCASA-N 409.450 1.969 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1746058695 FPONBULROLCTCY-HUUCEWRRSA-N 411.576 1.359 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1747411511 DUNXDXLHSGGUPB-GOSISDBHSA-N 407.471 1.830 30 10 HDEE CN(Cc1nccs1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747805185 GMYHJINKGJOINE-ZCXUNETKSA-N 413.507 1.850 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1748765624 NVIBJECEZKBQGM-UHFFFAOYSA-N 408.304 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1scnc1C 1748864124 QKCAXKGQXZMQPW-OAHLLOKOSA-N 420.564 1.359 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCn1c(C)nc2ccccc21 1748948440 NAUNULWGKHYSFQ-UHFFFAOYSA-N 423.521 1.861 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCSC2)CC1 1749013999 BHRHUGZHOSHFNU-RDJZCZTQSA-N 403.552 1.501 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749032905 UMBRCKHYTXVNCQ-MRXNPFEDSA-N 414.535 1.876 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccon1 1749118490 GRPMJXNZCMKVBG-YCPHGPKFSA-N 424.527 1.494 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1749226007 MFHCCZUOPRESLQ-CQSZACIVSA-N 416.448 1.506 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1cnccn1 1749655643 NWAQBPDZEZMACR-UHFFFAOYSA-N 423.477 1.691 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)C1 1750377310 ADHAALOWLMYFHQ-HNNXBMFYSA-N 404.368 1.883 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1750971843 FTONUMPRQGMSFZ-KRWDZBQOSA-N 410.478 1.391 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)COCCO1 1751303194 IACFBVLGDMHPFH-SFTDATJTSA-N 410.478 1.324 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760133686 MQTLVNPCKYGCKO-MRXNPFEDSA-N 405.466 1.036 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760192178 FZCTZFDFSHSZQK-QZTJIDSGSA-N 400.504 1.805 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cnn(CCOC)c1 1760206556 DIRPSLUNIPHYNK-UHFFFAOYSA-N 406.494 1.104 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1760209953 KOJAONJZILEBEA-INDMIFKZSA-N 419.529 1.846 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(O)CC)CC1 1760255050 TZCGAQPFTZBOQE-JOCHJYFZSA-N 413.522 1.879 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(C)ccc2OC)CC1 1760260573 XWLFGRNJFIMOOP-LJQANCHMSA-N 422.533 1.544 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCS(=O)(=O)NC(C)C 1760295542 DMGNGFQVIYUGEY-HXUWFJFHSA-N 416.551 1.584 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1760297333 OZAYRKGMNWIFKR-PGRDOPGGSA-N 412.538 1.651 30 10 HDEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760453055 WVLBUOYCIJBEFC-LJQANCHMSA-N 410.522 1.870 30 10 HDEE C=CCN(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)Cc1ccon1 1760460550 KGIYKZKJPKAEKP-UHFFFAOYSA-N 405.484 1.013 30 10 HDEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1761311664 PRNFXMYGUDMOHB-YJBOKZPZSA-N 412.560 1.833 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CCN1CCOC 1763516043 UMADTYURUPMHRO-LJQANCHMSA-N 410.522 1.889 30 10 HDEE CCOCCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766532987 QELCGYSVKNRPOG-UHFFFAOYSA-N 406.450 1.697 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1766995008 RZHKFVDKHYPNIX-YQQAZPJKSA-N 419.482 1.883 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1769586166 GCZACQPKJZSTRU-RDJZCZTQSA-N 412.494 1.855 30 10 HDEE COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1770139666 CVOSDIZQGUGVAV-HXUWFJFHSA-N 404.515 1.697 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1 1770365571 FQQZFGNXZSVAAY-HZAQMHFWSA-N 422.514 1.996 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1c[nH]nc1C 1771223312 UJTVCCUYMWKRRI-NVXWUHKLSA-N 403.487 1.395 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1772567415 SIDVWQLPROVXAJ-INIZCTEOSA-N 404.515 1.953 30 10 HDEE C=CCN1C[C@H](C(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)CC1=O 1850959042 GFVHLNFVAHKHKP-XIKOKIGWSA-N 409.280 1.988 30 10 HDEE N#Cc1cc2c(cc1CC(=O)NCCN1CCN(c3ccccc3F)CC1)OCO2 1852170968 AKOGASQRIKKNFV-UHFFFAOYSA-N 410.449 1.907 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCOC4)C3)CC2=O)cc1 1853659618 LWGVKBMBHKMQBH-LEWJYISDSA-N 410.518 1.272 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)C(=O)C2)C1 1853693869 AMUVQVCDBHHFGF-GOSISDBHSA-N 413.518 1.710 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(F)cc4)C3)CC2=O)ccn1 1854244150 LFWKLXWUIPCEDI-HXUWFJFHSA-N 407.449 1.651 30 10 HDEE C[C@H](CCC#N)N1c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C(=O)C[C@H]1C 1854251278 OILRFAISEKHBMU-HZPDHXFCSA-N 418.519 1.873 30 10 HDEE CC(=O)N1CCC[C@H]1CN1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCC2 1854511663 ZWFKEJWGNBDPGO-IBGZPJMESA-N 409.490 1.561 30 10 HDEE Cc1nc([C@@H]2CC(F)(F)CN2[C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1854884478 HITARTURLDZQCZ-KGLIPLIRSA-N 402.361 1.468 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@H]3Cc4ccccc4O3)CO2)cc1 1855187468 ZDCMJVFONCZZAJ-MAUKXSAKSA-N 400.412 1.410 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)cc1 1855644459 RHHPSAAEGRLLLX-QFBILLFUSA-N 408.502 1.909 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C2(CCC2)C1 1856375424 CJZSRYCNZMHFOH-UHFFFAOYSA-N 416.503 1.265 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(Cc3nncn3C)c3ccccc32)CC1=O 1856414269 XZBIZWGMVKYHDS-OAHLLOKOSA-N 408.462 1.120 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1856496115 AMJYZOZYGCTHOO-SJLPKXTDSA-N 418.519 1.060 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCCO3)C2)CC1 1857249187 KNKQGEIXSUVVAB-PKOBYXMFSA-N 412.490 1.598 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 1862558120 PQMKLEJBBTWBGQ-SFHVURJKSA-N 424.413 1.891 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(O)c1 1862625634 LCRQUOTYOPWSIA-IBGZPJMESA-N 424.409 1.835 30 10 HDEE C=CCN1C(=O)C(NCCN2CCOCC2)=C(c2ccc(Br)cc2)C1=O 1863559990 HXNOEQMCPKGVPJ-UHFFFAOYSA-N 420.307 1.637 30 10 HDEE C=CCN(CC=C)c1nc(=NCCO)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871565501 IOUWIWOSIZEJCV-UHFFFAOYSA-N 416.482 1.067 30 10 HDEE C=CCn1c(C(=O)NCCCCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873593086 DXELQPGLWOYORH-UHFFFAOYSA-N 400.527 1.652 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1890155637 QTNMHAYFRAECGI-UHFFFAOYSA-N 414.506 1.857 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)CC1 1890276143 RETXWNXPZVJUBT-UHFFFAOYSA-N 415.494 1.859 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN([C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2234453412 PNNJOQHDEKCOJY-ARFHVFGLSA-N 400.545 1.682 30 10 HDEE Cc1cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2243386947 KPDYXWLNWIWJKW-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2243427819 BHINFKJLQISTIW-UHFFFAOYSA-N 424.328 1.867 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2243702446 OMTDHCFQWJAKQC-DZGCQCFKSA-N 410.320 1.956 30 10 HDEE CN1C[C@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](NC(=O)OC(C)(C)C)C1 2247254344 GHOOOSZOWAOFNG-CVEARBPZSA-N 419.331 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247821304 XRMZOSYBIYUWBB-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE C[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2248403714 IJTYJYMEFSINKS-INIZCTEOSA-N 421.347 1.679 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)s1 2267721398 QYSQYZGCIHHVRB-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(=O)OC(C)C 2282315469 OIBCUTHKOZOSIV-UHFFFAOYSA-N 403.331 1.586 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@@H]1CCSC1 2282329150 ILIQLNXHMFYEOJ-VXGBXAGGSA-N 401.363 1.139 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(Cl)CC1(C)C 2282335085 KQAIGZPHCYTDRJ-MRXNPFEDSA-N 403.741 1.405 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282499044 MLUTYTJEAQLFJX-CYBMUJFWSA-N 400.375 1.561 30 10 HDEE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282522958 RPHCHFIKBCLTFN-NSHDSACASA-N 400.331 1.092 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282559331 OOHYVHLDDGETOO-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@@H](CO)C3)c2Cl)OC1(C)C 2282641997 HPEYBZMLSWSKQR-PWSUYJOCSA-N 401.721 1.516 30 10 HDEE CCCN(CC(N)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829427 DTRVIAYAZNNYEN-UHFFFAOYSA-N 422.765 1.587 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282832860 SNGPCHGLJMVWJF-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE C[C@@H]1[C@H](N)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833263 WGUJPHIRQAAKRT-VXGBXAGGSA-N 401.363 1.084 30 10 HDEE CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834826 YIRIJLJSJQSKBD-SECBINFHSA-N 423.749 1.931 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@H]2CCOC2)OC1(C)C 2282835306 SCAYJCVFNXWHLU-GFCCVEGCSA-N 402.347 1.288 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC1(CO)CC1 2282835350 SOVDPHRMBYQBHC-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE CC1CC(CO)(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838691 SSBCCZOPEOKYFE-UHFFFAOYSA-N 402.347 1.023 30 10 HDEE CCN1CC[C@@H](NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282842340 WVYAYKPYFZWCCH-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](CCO)C3)c2)OC1(C)C 2282851625 DYOCAXBDAKSGPN-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CC(F)F)C(=O)O)s2)OC1(C)C 2284399997 QLZMMUGIBWBXTF-MRVPVSSYSA-N 411.257 1.434 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402430 JCHGRHRPNLFBKZ-PWSUYJOCSA-N 403.331 1.825 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2290408469 YFGCFTPWPBHNKF-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCOC[C@H](F)C2)OC1(C)C 2361988800 BXEPADDSNNXCQI-CYBMUJFWSA-N 405.322 1.547 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2365206956 KGMZPDUDWHSHKH-KXBFYZLASA-N 402.557 1.553 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@@H](C)O1 2367791803 ZVJODGXXOCFTSG-WCVJEAGWSA-N 400.541 1.616 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc3c(cnn3Cc3ccccc3)c2)CC1 32275155 CCXDLWPJZOSCHR-UHFFFAOYSA-N 418.501 1.540 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCCN(c3ccccc3C#N)CC2)C1 46086713 QORPZNSDECMUII-OAQYLSRUSA-N 413.566 1.543 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 111191903 KBRPEVUHSTWCIL-VQIMIIECSA-N 420.531 1.490 30 10 HDEE C(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1c[nH]c2ccccc12 254349035 KICILADMDAUTLF-UHFFFAOYSA-N 408.466 1.472 30 10 HDEE COC(=O)c1ccn(CSc2nncn2N=Cc2ccc(OC)c(OC)c2)n1 254617422 SDGAXOCCMDFYLE-UHFFFAOYSA-N 402.436 1.910 30 10 HDEE COc1cc(CCC2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC2)cc(OC)c1 409546594 VOJCKFVUHWBKHI-HXUWFJFHSA-N 423.535 1.818 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1F 410177639 ZNKJICGQWVVLGE-UHFFFAOYSA-N 401.485 1.276 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1=O 410178601 NLHNUWLIJFESCQ-IEBWSBKVSA-N 401.482 1.852 30 10 HDEE C=CCc1cc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc(OC)c1OC 439937672 BZGLRCGUXYCYRS-CWLKWCNXSA-N 417.458 1.998 30 10 HDEE CCO[C@H]1C[C@@](NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)OC)C1(C)C 444288247 QEKRDWQBDXHTKN-SUMWQHHRSA-N 402.419 1.862 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 460392701 ZGTHOLQOXVJVDJ-MRXNPFEDSA-N 408.528 1.317 30 10 HDEE C[C@H]1CC[C@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464817760 YOGSJKGNLJDBNQ-IRXDYDNUSA-N 404.536 1.512 30 10 HDEE COC(=O)CN(Cc1cccc(Br)c1)C(=O)[C@@H](C)n1cnc(C#N)n1 466338040 SOGNDWPZIJJRCO-LLVKDONJSA-N 406.240 1.675 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(N(C)C)nc3ccccc23)CC1 466571606 FAFFCHSWVZBXDH-UHFFFAOYSA-N 410.522 1.430 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 468029096 JTWSQVIJRLXZLG-UHFFFAOYSA-N 415.519 1.531 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@@H]3c3ccccc3)CC2)c1C#N 472051495 GXZUXLVKDGAALR-VQTJNVASSA-N 407.522 1.877 30 10 HDEE N#CC1(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CCN(Cc2ccccc2)CC1 479211028 FAFYIYGZRDHYAH-UHFFFAOYSA-N 409.490 1.526 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 480097320 PHKJHZGAVODGQV-INIZCTEOSA-N 417.473 1.583 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](Cc1ccccc1)CN(C)C 480594197 UXZFXWUHPLPUBD-LPHOPBHVSA-N 414.531 1.514 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 486649098 GHDGBUYOJQQTMI-GOSISDBHSA-N 414.443 1.687 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 487167071 UIHCYTNDCDRYOL-KGLIPLIRSA-N 413.430 1.916 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 488583470 RPEJXXDCEVQRBP-VXGBXAGGSA-N 416.413 1.461 30 10 HDEE N#CCC(=O)N1CCN(C(=O)COc2cccc(I)c2)CC1 503627781 WFDUVOXJPGPYRB-UHFFFAOYSA-N 413.215 1.254 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCc2ccccc21 515921991 MQRFHKBTTWVGMD-ZWKOTPCHSA-N 417.535 1.921 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 522531902 SDMMSIPBXLFMIG-GXTWGEPZSA-N 403.529 1.664 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1Cc1ccon1 531684762 KGNUTSDSOIWFHB-UHFFFAOYSA-N 409.442 1.957 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)CC1 539456286 OWRPFQKSTQGKNT-BBRMVZONSA-N 402.442 1.456 30 10 HDEE C[C@H](C#N)CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CC1 562175173 BSCGYTKIFJFQSL-LLVKDONJSA-N 400.298 1.878 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 563273942 AEINVCMACREQGU-QGZVFWFLSA-N 415.513 1.583 30 10 HDEE CN([C@@H]1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(C#N)cc1 575546210 QZAPUBFRNRSEKW-MRXNPFEDSA-N 401.492 1.352 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@H](C(=O)OC)C1 582194271 ZOZBYAIEYTUHIS-HNNXBMFYSA-N 404.492 1.924 30 10 HDEE Cc1cc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1C 589157551 CKSJYFXMNQGAIJ-UHFFFAOYSA-N 409.511 1.193 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1OCC(=O)NC 589886775 GKNKGKHFFDHQLO-QGZVFWFLSA-N 402.476 1.816 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1S(=O)(=O)NCC#N 609412224 BLGNANYEKKPRRZ-UHFFFAOYSA-N 423.498 1.972 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 670220357 XKKZJGWSCCCPBH-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE NCC#Cc1cccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1F 703979332 MFUOQDYDEHZXQA-UHFFFAOYSA-N 415.446 1.564 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCN1C1CC1 732706745 NMMBRYLIVUWWBP-HNNXBMFYSA-N 403.433 1.702 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Cl)[C@H]1CCS(=O)(=O)C1 735652566 NWXJMDAYCQSMIL-LBPRGKRZSA-N 403.909 1.396 30 10 HDEE C=C(Cl)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 736239445 XQFPKGJSDIUUMO-UHFFFAOYSA-N 409.689 1.671 30 10 HDEE CCN(C1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1)S(C)(=O)=O 739851455 DJQYGMLNQWVETE-UHFFFAOYSA-N 402.524 1.829 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1C#N 746680835 QRZDDAQHHKZTDN-UHFFFAOYSA-N 413.459 1.753 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)Cc1cccc(C#N)c1)C2=O 750418870 UFKGKPULAAOTNV-UHFFFAOYSA-N 418.475 1.005 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 752332113 LMTZLUYQFFJRNZ-UHFFFAOYSA-N 415.298 1.723 30 10 HDEE C#CCN(C(=O)CCCCNC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 760429753 RYGNNSKPXIVLSY-GOSISDBHSA-N 406.504 1.732 30 10 HDEE CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 761848366 GVWXNEGTWQGYEE-HUUCEWRRSA-N 406.483 1.904 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1)[C@@H]1CCS(=O)(=O)C1 774240853 KCMSTTMJGLWAPI-IUODEOHRSA-N 406.439 1.769 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 775192968 QAPQMCBDFSWDHL-UHFFFAOYSA-N 400.385 1.659 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@H]2CCC(C)(C)O2)C1=O 777467442 MTBMQKVSAYWQRT-CABCVRRESA-N 418.519 1.811 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)CC1 783592643 KTWQPKFVFUSLNL-UHFFFAOYSA-N 415.494 1.305 30 10 HDEE CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)cc1 784129505 UTSDPHHKYXDHDQ-MRXNPFEDSA-N 416.507 1.835 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)n1 790114694 BYEUEKYHPLNFOI-JOCHJYFZSA-N 410.474 1.950 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CCN1C1CC1 797673778 KXCFOMNFCLPGSD-OAHLLOKOSA-N 404.496 1.070 30 10 HDEE C=CCN1CC[C@@H](OC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798638554 SSTBYJSKUCQYBA-IERDGZPVSA-N 415.446 1.101 30 10 HDEE C#CCN(C(=O)c1nnn(CCOc2ccc(F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 799934280 STLOIDAIMGXZFJ-INIZCTEOSA-N 420.466 1.067 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2Cc2ccc(Br)cc2)CCO1 800021458 JWPZMOGYRKCFMV-CVEARBPZSA-N 414.325 1.925 30 10 HDEE N#Cc1ccnc(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 803848875 KVHISSBCCFZIBT-UHFFFAOYSA-N 417.443 1.210 30 10 HDEE C#C[C@@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1F 804420150 DHZFGRKPIZXZME-DNVCBOLYSA-N 421.856 1.885 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 805823432 HKNMYODAEFWJFT-LJQANCHMSA-N 403.487 1.582 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 812187853 GJOMGNWNCSKOJA-MRXNPFEDSA-N 412.494 1.948 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1C#N 849494030 OWVOYYLARNCHIX-AEFFLSMTSA-N 412.542 1.619 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)n1 856677223 ORTDIXQZRODXBI-IBGZPJMESA-N 404.492 1.347 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775521 VGRONLURKXEQFM-HXUWFJFHSA-N 424.482 1.733 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1124534259 LBZIYZDHFFWEID-OAHLLOKOSA-N 413.430 1.902 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(CC)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1128111969 PCSYSAILACWVIJ-JTSKRJEESA-N 415.490 1.896 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1137497764 SMGHCJFUNYGHTO-GOSISDBHSA-N 414.462 1.944 30 10 HDEE CCOC(=O)[C@@](C)(O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1138071525 VJXBMPUUHBVVSP-YFXGLOOTSA-N 409.483 1.204 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1S(=O)(=O)NCC#N 1140977057 LUGXNIDQJHTVEM-ROUUACIJSA-N 414.487 1.842 30 10 HDEE Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1163652222 MPKLXDWRFRFWBG-MRXNPFEDSA-N 402.476 1.766 30 10 HDEE Cn1ccc(=NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)nc1O 1164197953 HJVGWUSSLUFXLJ-QGZVFWFLSA-N 409.446 1.959 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](n3ccnn3)CC2)cc1 1168444774 JTRMJMFTBAZYON-MRXNPFEDSA-N 402.480 1.337 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 1175211764 WONCMFFNZPBAHH-QFIPXVFZSA-N 407.474 1.119 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN(C)Cc2nnc3c(=O)n(C)ccn23)c1C 1176070826 QOLJOSWBKUBIHA-UHFFFAOYSA-N 407.478 1.424 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H]2CCN(c3sccc3C#N)C2=O)CCO1 1196553290 BWBFPYWFRGOKMF-FOIQADDNSA-N 421.519 1.784 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1262005399 AHWNNJCZDHJKGO-OAHLLOKOSA-N 420.491 1.045 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)nn1 1282566490 RAQOTTUJJAHDLR-VDCDIQELSA-N 401.511 1.636 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCC[C@@H]1NC(=O)NC1=O 1286305969 RIALIDXTODACMA-WBVHZDCISA-N 424.505 1.866 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1286397235 YJUWNVFHQRXOEY-DLBZAZTESA-N 406.552 1.839 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1286410119 SETGWONCMLTYBX-GDBMZVCRSA-N 417.560 1.822 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286438050 UZVUJRSNNORUJS-IPJJNNNSSA-N 419.570 1.889 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1286454428 WYHGQTDQSDJRLS-QWHCGFSZSA-N 403.599 1.196 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@@H]1C 1286469665 LCBJMUKRPRGOAV-VJANTYMQSA-N 406.527 1.761 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286567052 UJHKTJBPKPABKT-HBFSDRIKSA-N 403.527 1.553 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1286614323 ORKWRMFUCAXJSW-DYESRHJHSA-N 421.542 1.580 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286795110 FNAVNLZJSMFMEL-DOTOQJQBSA-N 424.505 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccccn2)C1 1286808988 OUHUKYIWUJKWQV-IAGOWNOFSA-N 411.510 1.908 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)C(C)C 1286819345 HMKVGSNWHGCKSW-UHFFFAOYSA-N 409.512 1.841 30 10 HDEE Cn1nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1NC(=O)OC(C)(C)C 1291971726 ZEOASLJCKDFLEU-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CS(C)(=O)=O)c2ccccc2)c1 1294258511 SNAFOSLZIPQVGU-LJQANCHMSA-N 419.524 1.999 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OCC 1298021234 QMTNUGOGFLIKPW-CYBMUJFWSA-N 400.435 1.539 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300308400 OMDQDCQMUZTGQH-KSZLIROESA-N 402.543 1.183 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1300498829 NJHHIQRYXZQBEI-QGZVFWFLSA-N 421.567 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300722010 FUWLHRRHBZLRFP-AOMKIAJQSA-N 415.538 1.441 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1 1300779714 FFIGCMQSTDUDKU-IFXJQAMLSA-N 418.523 1.332 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOC(C)C)CC1 1301086356 IUMJNMBRQYLEFI-MRXNPFEDSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1301513951 CSUVPRDSLLVPPC-UHFFFAOYSA-N 422.489 1.648 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)C1 1301556472 HSMFFVRSNRSEOA-SJORKVTESA-N 409.556 1.057 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2cnn(C)n2)C1 1301558438 VQBWWOAXEVTMPQ-FUHWJXTLSA-N 401.515 1.715 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1301622165 AHTHMKLATPNJFB-GJZGRUSLSA-N 400.570 1.490 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Nc3nccs3)c2)CC1 1302923946 GKEIWXRXCONYPE-UHFFFAOYSA-N 405.505 1.112 30 10 HDEE N#Cc1c[nH]c(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c1 1304363576 GQHWHFASUDQWNQ-AWEZNQCLSA-N 420.210 1.804 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 1312579690 YWOWOJOBFHQKIJ-MRXNPFEDSA-N 421.519 1.791 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1314557385 FFLRZFRUPGOIAK-CABCVRRESA-N 402.524 1.991 30 10 HDEE COC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1315954251 WXDGHWCEXPFSFI-KRWDZBQOSA-N 414.491 1.998 30 10 HDEE COCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1316268387 XEZWLVFQNMIRPP-CEXWTWQISA-N 424.505 1.636 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)CN1CCOCC1 1316269398 GBWHCIHJLOTWIX-VJANTYMQSA-N 420.558 1.566 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)NCc3ccccc3)CC2=O)cc1Cl 1350281770 FNFCORPKOQPCDT-MRXNPFEDSA-N 410.861 1.997 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2coc3c2C(=O)NCCC3)c1 1356458625 ZJFLEMVMHDTZGY-UHFFFAOYSA-N 421.453 1.443 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1358977016 AHPLDUMJRZSWDV-FQEVSTJZSA-N 420.517 1.872 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1COCCO1 1359023110 ZURNVSGOHNTPPI-FQEVSTJZSA-N 422.489 1.632 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359057015 PZQMEVQFSFVMGR-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1359106494 GEOYSXMDMXJKKD-GOSISDBHSA-N 405.591 1.845 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359131142 IXDNIMMYZORYLD-SFHVURJKSA-N 412.498 1.373 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1359226066 VOOMBEHKSNUVCS-KRWDZBQOSA-N 401.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCSC(C)(C)C1 1359291241 JDPNWJCFYILPRA-UHFFFAOYSA-N 408.572 1.831 30 10 HDEE CC(C)(C)N1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359549474 QPJPYNBXXBFRJG-HTXNQAPBSA-N 413.526 1.602 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)[nH]c3C)CC2)cc1 1440927684 FEZUTUWGPLVGNL-UHFFFAOYSA-N 400.460 1.544 30 10 HDEE CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 1455320704 CQPDGTPFIDZELW-FQEVSTJZSA-N 403.442 1.947 30 10 HDEE Cc1cc(C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)ncc1C#N 1456041542 AMYPRINHWXVBIF-UHFFFAOYSA-N 403.486 1.999 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(-c3ccccc3)nn2)c1 1457276365 LURKKQBHYPZWIS-UHFFFAOYSA-N 409.471 1.287 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1460819345 KLILDRSQLWHUTC-AWEZNQCLSA-N 417.487 1.445 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1465539512 NQBVOJZLBRIAGE-LPHOPBHVSA-N 422.551 1.725 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)N2CCN(C(=O)CC#N)CC2)C1 1465872354 LANCAGREVCOAGJ-AWEZNQCLSA-N 416.482 1.332 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(=O)OC(C)(C)C)c2)CC1 1467007720 AIUHBQIYRGODDG-UHFFFAOYSA-N 422.507 1.259 30 10 HDEE N#CC1(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)CCOCC1 1471001985 UGRAUPWEPZHNKU-UHFFFAOYSA-N 406.280 1.940 30 10 HDEE CC[C@H](CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)OC(C)(C)C 1471404017 NZIIKYXWCWKTMK-OAHLLOKOSA-N 404.515 1.800 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1473116044 DVIWRANHPIYJQJ-IRXDYDNUSA-N 409.527 1.895 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 1475643594 HPFOFAGHQAGYIF-MRXNPFEDSA-N 418.475 1.625 30 10 HDEE C#CC[C@H](CO)NC(=O)NCC(C)(C)S(=O)(=O)c1ccc(Br)cc1 1477901604 RSYWSNAJNVVQKS-CYBMUJFWSA-N 417.325 1.685 30 10 HDEE CS(=O)(=O)C1(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCCC1 1478595136 QFBDPYFMEUFXND-INIZCTEOSA-N 405.524 1.897 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)N1CCN(CC)CC1 1499008924 YUBMEXRLNOHSAA-INIZCTEOSA-N 424.553 1.401 30 10 HDEE CN(CCCCCO)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1503591020 ANYXQIPYGKIUPF-AWEZNQCLSA-N 407.496 1.292 30 10 HDEE CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@@H](C)CC#N 1503838426 HPDGQXQCJGIWCM-INIZCTEOSA-N 420.539 1.762 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@](C)(O)c1ccccc1 1507712721 NDCZNKZQMVYKIM-PGRDOPGGSA-N 411.506 1.613 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)[C@@H](C)CCC)CC1 1507732170 TWUXMIHMGFUBGB-RBUKOAKNSA-N 416.570 1.480 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@](C)(C(N)=O)C1 1507755961 JYOZXFMNKVMWOQ-NRFANRHFSA-N 413.547 1.946 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507832090 MBQMROLFZOSGMS-DLBZAZTESA-N 423.583 1.446 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507893629 KHECKDQULUDAFS-MSOLQXFVSA-N 403.527 1.968 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cn[nH]c2)C1 1508114117 JUPPARTXWSYEPV-FXAWDEMLSA-N 402.499 1.677 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508142318 SJSBQJQDHVQUCI-BRWVUGGUSA-N 410.540 1.246 30 10 HDEE C=CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508167238 GUSPXVJPUYHDEV-FQEVSTJZSA-N 423.583 1.940 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1519169854 CDNLEAJTGOBXQH-HRAATJIYSA-N 415.494 1.456 30 10 HDEE CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519492529 SZSPDHVFYDPCSZ-YWMAMYRUSA-N 402.499 1.618 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1521137982 WPOBELHIYHIWDC-XHSDSOJGSA-N 417.441 1.265 30 10 HDEE Cn1cc(C2=NO[C@@H](C(=O)Oc3ccc(C#N)cc3I)C2)cn1 1524634452 JWMDPHXWRXZUPK-CQSZACIVSA-N 422.182 1.995 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cc(Br)nn2-c2ncccc2Cl)n1 1525394401 NIDKIPQQYOSKHQ-UHFFFAOYSA-N 421.646 1.576 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nncn3CC2)c1 1527211298 JVDVFFOVTUNJBA-KMEDIVRHSA-N 416.507 1.682 30 10 HDEE C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@H](C)COC 1528488640 DZEFOVJGHWFCOC-GDBMZVCRSA-N 422.503 1.673 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1528553116 UCYYRQPGNDRCCP-VBKZILBWSA-N 419.865 1.745 30 10 HDEE CC[C@]1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)C1=O 1533459341 YOUZOQORDPICPT-SFHVURJKSA-N 403.464 1.183 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(OCc4ccncc4)cc3)C[C@H]1CS(=O)(=O)C2 1538540597 ZEXBDIFWKGODQE-RXVVDRJESA-N 411.483 1.600 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 1539145964 USSWJGQGQOORJN-UHFFFAOYSA-N 414.485 1.510 30 10 HDEE Cn1ccc(N2CCC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1539172949 RQSFLSACXWWCAB-LSDHHAIUSA-N 418.498 1.619 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539201307 ZVAGGSXYBJVFML-IXDOHACOSA-N 407.540 1.403 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1539337070 CNEOIZKISBCKII-UHFFFAOYSA-N 416.570 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCC[C@H]1C 1539392743 WKKFYSDTSHEVLX-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](OC)C2CC2)CC1 1539454414 NFLDMZQTINZGQQ-GOSISDBHSA-N 400.552 1.814 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)nc1 1539570122 OJBLGHDLAGVAMC-SGXKBVARSA-N 424.505 1.536 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1540088803 PJBLAJAQYPRDPK-UHFFFAOYSA-N 409.487 1.654 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCOCC1 1540375924 LQPNIHQXASRECN-UHFFFAOYSA-N 422.463 1.138 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1540915632 NAEPECSEVLCWLY-HNNXBMFYSA-N 418.567 1.597 30 10 HDEE CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541308888 BWXYMWXEQZSMQM-ROUUACIJSA-N 404.559 1.952 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1541803110 CNYHHTNNGLBCRI-JKSUJKDBSA-N 418.523 1.499 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1=O 1544858386 AXYWPSYYVFPTSG-YSLLHCQFSA-N 400.866 1.690 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1547312498 ZGROXMBUHOKOOH-OAQYLSRUSA-N 410.478 1.291 30 10 HDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369446 DXMHITZUNZEZGO-KRWDZBQOSA-N 424.423 1.909 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1554127982 RCUFAHXNRPXNDY-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCSCC1 1556023090 SKXVBOAFLCHIIW-OHTQGHCMSA-N 418.523 1.252 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)cc1 1556615477 JKBRPSDWSNORAS-UHFFFAOYSA-N 412.464 1.946 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1565056880 NISISXYKKVAZTR-HKUYNNGSSA-N 401.559 1.811 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)CN(C(=O)OC(C)(C)C)C1 1587498638 QAXFUBHAVMCVMP-SPLOXXLWSA-N 420.510 1.636 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1587620505 GPTJMCGNZHNQBP-QKKBWIMNSA-N 408.462 1.857 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587759589 XDNXYZWHBNIQPV-QGZVFWFLSA-N 409.556 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)c(F)c1 1587970411 XIKPMBKLNUEVLJ-UHFFFAOYSA-N 409.469 1.772 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1588078583 ITZVZJUDNATBPB-UHFFFAOYSA-N 419.489 1.305 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@H](C)N1CCOCC1 1588159527 YCBMNFVAQIGCLK-HXUWFJFHSA-N 407.518 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCO 1588219564 VQXHYCSERQQJGR-UHFFFAOYSA-N 418.501 1.818 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1588265911 JXWQDNSEZSPYNE-HNNXBMFYSA-N 417.535 1.525 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)C2CCCCC2)CC1 1588811857 NDCJBGIZJXDIFM-GCJKJVERSA-N 401.555 1.869 30 10 HDEE C#CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589125764 QIUPRULGNYXSNM-OXQOHEQNSA-N 421.567 1.352 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1)c1cc[nH]n1 1594213083 KKOMJAIZFBGINS-ZYHUDNBSSA-N 406.361 1.262 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1595760394 MLJBLNUOPZIEFI-HOCLYGCPSA-N 424.571 1.433 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(Cc2cc(C)no2)CC1 1595760893 UQEJXKJTUDWYCJ-UHFFFAOYSA-N 422.555 1.621 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1607851679 HKIOHVULHAOXJC-HNNXBMFYSA-N 418.494 1.649 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1611332219 NDTWHTIFNKPQIL-YBOAYWMSSA-N 424.505 1.855 30 10 HDEE CN(C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1617787832 PZEKVULIKMVDJH-UHFFFAOYSA-N 420.539 1.949 30 10 HDEE C[C@]1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)COc2ccccc2O1 1618746411 XHWGRBWELQVYNB-IBGZPJMESA-N 401.444 1.071 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1620356361 XQLQVBKDUUUUHQ-GDBMZVCRSA-N 421.452 1.358 30 10 HDEE COCCNc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1621715042 JGDUTLLTSBEIKO-AWEZNQCLSA-N 409.512 1.715 30 10 HDEE C#CCN(CC(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)OC(C)(C)C 1625567354 CRGGQBNAETYTRY-FQEVSTJZSA-N 400.435 1.550 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)cc1S(=O)(=O)NCC#N 1628308913 KTONANHNFOSHGD-INIZCTEOSA-N 414.487 1.303 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1629298185 HPWWUQUUGGEBTE-AWEZNQCLSA-N 401.435 1.255 30 10 HDEE C[C@@]1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)COc2ccccc2O1 1630344773 ZHQQIAQDJJXTHU-HXUWFJFHSA-N 400.456 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)c2ccc3c(C#N)c[nH]c3c2)C1 1630889455 ZWEKJIRCLHAHMS-UHFFFAOYSA-N 423.473 1.991 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)cc1 1631195408 MYQYJIBUNVSKSN-INIZCTEOSA-N 406.508 1.374 30 10 HDEE C#CCN(CC(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1634323531 UZGJVMHAFRCKOU-OAHLLOKOSA-N 411.499 1.609 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@H](O)c3ccc(C#N)cc3)c3nccn32)C1 1635803287 HOMZTAAEDPQIFX-DLBZAZTESA-N 423.473 1.995 30 10 HDEE CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CO 1636605600 XOHIXWIEJZFOEA-PZPWOCDFSA-N 423.469 1.929 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ncccc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1638327798 VZAHVSDUGJDDFV-UHFFFAOYSA-N 416.478 1.378 30 10 HDEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1640067950 BGTJVZOTKCETMP-GOSISDBHSA-N 408.458 1.752 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Cl)nc2Cl)c1=O 1641326117 VZHOYCGEZBOBRD-UHFFFAOYSA-N 411.245 1.973 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(F)(F)[C@@H](CO)C3)C2=O)cc1 1641411280 KVDHHJANZRQOHB-UKRRQHHQSA-N 406.389 1.239 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 1641520353 WVOGZHIZOZJUKO-KHPPLWFESA-N 413.499 1.730 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1643543457 SJOIPDDGEBTDOK-PBHICJAKSA-N 411.480 1.581 30 10 HDEE C#CCN(Cc1nnc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)[C@@H]1CCS(=O)(=O)C1 1644888945 VXYJDZFYKIMLJJ-GFCCVEGCSA-N 410.839 1.921 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[S@](=O)CC(F)(F)F)c1 1645318229 PWVUOSXDUKPHGK-DEOSSOPVSA-N 400.375 1.164 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cnccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1645413994 NOBXKTJAXZNCPF-HNNXBMFYSA-N 400.435 1.435 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1 1646277987 LOEFOPLSQBLWRA-UQASEVPWSA-N 413.499 1.434 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1CO 1653520800 GDUSHEUFYGXZAT-ZBQZNYHESA-N 415.471 1.083 30 10 HDEE COC(=O)[C@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H](C)c2ccccc21 1653799506 XZLFBEMMHCKHGO-ASSNKEHSSA-N 410.430 1.293 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1C(=O)NCC12CCOCC2 1655709845 YAKIEXKURFEIRY-KDOFPFPSSA-N 402.520 1.762 30 10 HDEE CCOC(=O)c1c(C(F)(F)F)coc1CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343259 KGTUZGBJQNLQNZ-ZUZCIYMTSA-N 406.382 1.845 30 10 HDEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 1659536733 VENFCZKJTLPIMG-OAHLLOKOSA-N 411.524 1.335 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1 1665590410 OOUTXMAEPPPHLD-RNKNFESXSA-N 408.520 1.853 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CCN(C)CC1 1667514073 PPSKZZBAWUOTQI-UHFFFAOYSA-N 414.550 1.637 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1670709391 HGYBRLIDPKLJTO-QRVBRYPASA-N 424.519 1.370 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1673710595 BWDPGZSGLMWKJP-XHSDSOJGSA-N 413.540 1.512 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1 1680910257 VOGLYZFLECMXGY-UHFFFAOYSA-N 423.926 1.648 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)cc1 1682526007 PBGSGWHGFCKKIQ-UHFFFAOYSA-N 404.414 1.367 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@@H](OC3CCCC3)C(F)(F)F)C2)c(=O)nc1O 1683717024 IJRHSNFIQQXSNX-CYBMUJFWSA-N 415.372 1.277 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC[C@@H](CNS(=O)(=O)C3CC3)C1)C2 1684754061 WPIGVVYIPMCORA-YJBOKZPZSA-N 402.520 1.529 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 1685303427 JLELEIQXFYQMRZ-JQHSSLGASA-N 417.510 1.682 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1689863101 MWITUCRVCOCRDN-HNNXBMFYSA-N 418.461 1.340 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1690012242 WKYSHEXPLMHBLW-UHFFFAOYSA-N 417.473 1.277 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1690056122 GOJDGDOPFQJGLY-UHFFFAOYSA-N 409.490 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC)CC1 1690111890 LOSAWGVIUPCPAW-MRXNPFEDSA-N 414.485 1.449 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2CC)CC1 1690142364 MLRXUALDYADRJT-IBGZPJMESA-N 424.553 1.129 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690512015 JYFPPCQWENXXJX-MDKPJZGXSA-N 419.526 1.454 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1690560051 OLNAUEYDODUETK-GOSISDBHSA-N 421.505 1.772 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690671578 ZCBWBASSNQKRHN-IAGOWNOFSA-N 419.526 1.106 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690674409 ZPJBEFHQIMOMTF-ROUUACIJSA-N 403.527 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690724322 MBFYPJNCHSVKMG-HOTGVXAUSA-N 420.539 1.110 30 10 HDEE CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1690983978 FJDXKFCDAMSICE-LJQANCHMSA-N 404.421 1.964 30 10 HDEE CC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694913116 QGQCPNSMNYPRLR-SCYHOBCLSA-N 400.483 1.892 30 10 HDEE Cn1nncc1Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1696887590 DDNNQEVZAXCZHP-UHFFFAOYSA-N 406.498 1.346 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cccn1 1697617868 GXDGHDNPMHJZCG-QGZVFWFLSA-N 423.477 1.881 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1705495132 KYDAVBZSMMQCNG-CRAIPNDOSA-N 416.503 1.849 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705531124 YUXKHRAHPLNCIJ-GOSISDBHSA-N 412.515 1.994 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnc(C)s1 1705622654 OSLZBGJYEMVCEC-IBGZPJMESA-N 405.524 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCOCC1 1705933298 BBPKRJAFQSVZNW-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE CN(C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1711003880 GRGCHLGVAXIHQF-MOPGFXCFSA-N 421.546 1.280 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1712228939 VDCQNZSHGZXFCN-AWEZNQCLSA-N 421.461 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(OC)c1 1722300452 ZHHLJUMCQFRSCM-INIZCTEOSA-N 424.505 1.297 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722341680 LNEMTRAWOQUPCA-UHOSZYNNSA-N 414.510 1.727 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C 1722423107 YOQFHHJNTOEWNU-INIZCTEOSA-N 405.524 1.331 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCOc1ccc(Cl)cn1 1722424983 HODTUSRUVYSSNV-UHFFFAOYSA-N 415.885 1.892 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CC=CCC1 1722426056 WTDRLUUZJYDESE-UHFFFAOYSA-N 419.533 1.865 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2CCOCC2)CC1 1722429667 PXECXISYYHPNEK-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722523131 CELUODUTQSITMO-LSDHHAIUSA-N 406.512 1.832 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722532721 UOSUVBJDDUZYCQ-UHFFFAOYSA-N 418.542 1.312 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722627858 OWMRQSDTMKBPLP-SJORKVTESA-N 418.542 1.563 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC(C)(C)CN2CCOCC2)nnc1C(C)(C)C 1722703807 IKVFJXVRYNKHFL-UHFFFAOYSA-N 406.575 1.672 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1740692943 PZQIKKCFTDCSKK-UHFFFAOYSA-N 400.490 1.777 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1740793977 ZZWBCPZSCCRHAA-MRXNPFEDSA-N 404.515 1.271 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740965782 SMYWZPKTYXPOPA-FVJLSDCUSA-N 403.527 2.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCOC2)C1 1740978559 XSBMZKCWSJDCHM-KKSFZXQISA-N 400.479 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCO[C@H](C)C1 1740992767 NIHXVBJJKJWNQW-MRXNPFEDSA-N 405.524 1.480 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1746646293 FIJYMHBUOMYRPS-BLLLJJGKSA-N 418.420 1.347 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1747356361 PIORFDNHESTQCB-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1748640484 VTAXKHBQCWPGBL-CABCVRRESA-N 424.571 1.137 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCSC1 1748955975 DRKPTRMMGQJONG-HXUWFJFHSA-N 402.520 1.908 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)C1CCCCC1 1748968753 KCBCWHYNQCOREB-QFIPXVFZSA-N 417.554 1.818 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749045248 YMNJDECGDNJYIL-IBGZPJMESA-N 412.563 1.935 30 10 HDEE C=CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749408502 KLJGBPJCFWBTFE-LAUBAEHRSA-N 421.542 1.626 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F)C1CC1 1749515947 JSSLZFGYLYSOCU-UHFFFAOYSA-N 408.409 1.542 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749668813 ADBOQLNUZYAUAL-UHFFFAOYSA-N 417.558 1.868 30 10 HDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1750527539 DESKVLPBEQXRME-QGZVFWFLSA-N 415.542 1.470 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1750534784 HREIKELNUASIAY-UHFFFAOYSA-N 412.494 1.591 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1750568956 HBKWESIGUJIIHL-QFIPXVFZSA-N 421.505 1.448 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760153531 UHRKTMWIVOVFEJ-ZWKOTPCHSA-N 410.526 1.768 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1760155315 VLIAFOHTOLOHJR-INIZCTEOSA-N 407.540 1.076 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760155714 HBGHQBNXEHLIEA-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1760173156 LHNFXWMLNQXQNY-JKSUJKDBSA-N 416.478 1.580 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1760186330 MERUFJIRSNMHAH-LSDHHAIUSA-N 400.520 1.478 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1760186668 FEGPTFGHVIHPQA-SFHVURJKSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760204379 NQOGCLREJGCRHW-WOJBJXKFSA-N 406.534 1.836 30 10 HDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC)CC1 1760259592 NUVDIDPOKZDUDB-UHFFFAOYSA-N 424.553 1.244 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760280866 JJRMVWBOLDRACV-OXJNMPFZSA-N 406.552 1.923 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760325229 PWFKSMHZUAOUIC-DYESRHJHSA-N 422.489 1.646 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760508736 IMUJIPAVHBBJDE-UHFFFAOYSA-N 410.522 1.884 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760525709 OCNVIMQGQPQKOO-INIZCTEOSA-N 418.567 1.390 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760528169 UJXLXZGLWSLFCO-QGZVFWFLSA-N 401.515 1.772 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCn2cc(CO)nn2)C1 1760540841 PZYMTOLGNQEEDP-KRWDZBQOSA-N 410.482 1.296 30 10 HDEE CC(=O)NCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1760676619 UGLZBLFBFJVHNL-CYBMUJFWSA-N 422.287 1.291 30 10 HDEE CC(C)=CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760823964 XKBNOCFKHYREBC-GOSISDBHSA-N 419.489 1.320 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1761262233 IWFRVNZPFHXLKB-FQEVSTJZSA-N 404.515 1.583 30 10 HDEE CCO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1765800431 AOZLKFDKDOQCIV-RCCFBDPRSA-N 410.478 1.736 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C1CC1)N(C)C 1766335578 HNBINBNTHXWUBN-GOSISDBHSA-N 411.510 1.690 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)C1 1770727186 CWJGUAJFDJCLMC-DNVCBOLYSA-N 402.405 1.889 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C/c2ccccc2)CCO1 1770749516 ZQYGKNFELVDOKI-BNESGYTRSA-N 413.503 1.622 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)ON2C(=O)c3ccccc3C2=O)ccc1Cl 1772786429 TYGBQPRPKRLAKQ-UHFFFAOYSA-N 408.819 1.958 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 1772790375 QPTMWFBPHZYXRH-JKSUJKDBSA-N 414.414 1.723 30 10 HDEE N#CC1CCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1851452347 CJFYTLGCEOEOIC-UHFFFAOYSA-N 404.536 1.827 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C4CCOCC4)C3=O)CC2)CC1 1853744123 YGONDQROHBPHTO-LJQANCHMSA-N 416.522 1.015 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C3CC3)on2)C1=O 1854098645 HYEOSEDNYDSDFE-IAGOWNOFSA-N 400.479 1.792 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1854699805 XBTRVFIAYRELBP-CZUORRHYSA-N 422.407 1.323 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855739636 AMUPDBXVHBKAHA-VXGBXAGGSA-N 407.364 1.056 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC[C@@H](Cn4nccn4)C3)CC2=O)cc1 1856162298 XQKIVVKZXXQREY-UXHICEINSA-N 406.490 1.480 30 10 HDEE CC(C)c1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)no1 1856381264 NRGARWLPEBZCRO-AWEZNQCLSA-N 409.446 1.817 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 1856713480 UMNAWQSEVJQBOK-OAHLLOKOSA-N 418.519 1.730 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)C3CC(=O)C3)C2)CC1 1857135999 CZGXVYYGLBFHNP-INIZCTEOSA-N 410.474 1.398 30 10 HDEE C=CCN(CC=C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1858623791 RCAKRICILNFZQR-UHFFFAOYSA-N 409.508 1.804 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCO)cn1CCN1C(=O)CSC1=O 1870369901 JPCOCPRKQVXEOE-UHFFFAOYSA-N 407.492 1.089 30 10 HDEE Cc1ccc2nc(C3=C(N)N(CCc4ccc(S(N)(=O)=O)cc4)CC3=O)[nH]c2c1 1872730195 HWDNKJRGMYMNSA-UHFFFAOYSA-N 411.487 1.273 30 10 HDEE COC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874449033 RBJLJUDBTARWMH-QOSBVPTNSA-N 407.408 1.891 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1890175162 LQVRBZSESWRKHR-UHFFFAOYSA-N 411.593 1.559 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 1892208234 DFOHKYDCQHYUIV-AWEZNQCLSA-N 412.427 1.687 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985097938 NAOTVJBQJUCHLE-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE C[C@@H](NS(=O)(=O)c1cncs1)c1nscc1B1OC(C)(C)C(C)(C)O1 2130087401 TVZDWRCRSVKYCA-SECBINFHSA-N 401.344 1.938 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)C1 2142776485 DKGHDNVGOOMNDL-SFHVURJKSA-N 416.503 1.730 30 10 HDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(C#N)CC2)C1 2174780973 ANTVGUZWZAYEOD-GJZGRUSLSA-N 402.517 1.081 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784559 PJCZPHIIAMOAQM-GJZGRUSLSA-N 400.545 1.949 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@]12CC[C@@](NC(=O)OC(C)(C)C)(CO1)C2 2174789278 ORNLIXAHXJVQON-WBAXXEDZSA-N 401.529 1.918 30 10 HDEE C#CCN(C(=O)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 2180137701 OQGFJPKDZHNMNR-CVEARBPZSA-N 400.541 1.822 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(S(N)(=O)=O)CC1 2181109119 AVVNLAPLLFSAGZ-AWEZNQCLSA-N 402.517 1.243 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1CS(=O)(=O)C1 2186590892 MGRURLYZWSUTQC-SNVBAGLBSA-N 400.331 1.006 30 10 HDEE CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)[C@@H](CC#N)C(F)(F)F 2197502168 FJCPZXNXUBTEAD-WDEREUQCSA-N 413.418 1.227 30 10 HDEE COC(=O)NS(=O)(=O)N(C)Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202313129 FCDSSQRDIFZJIZ-UHFFFAOYSA-N 404.319 1.388 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2235421802 SFSQDHIOBXCAKU-UONOGXRCSA-N 401.359 1.291 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CO1 2247781451 PGDLUDSXVRQFCP-CYBMUJFWSA-N 419.287 1.662 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCC(=O)NCc3ccccc3)c(F)c2)OC1(C)C 2247837122 NOPZVDBYJJYMAS-UHFFFAOYSA-N 413.258 1.566 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2247925377 YSCRGPGWFDZCKF-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CNC(=O)OC(C)(C)C 2247928460 CSWORWAQSOGYPC-UHFFFAOYSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](C1)OC[C@@H]2C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248405401 UEWZLQURJABEIH-PMPSAXMXSA-N 420.315 1.619 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)n1 2255611176 GPODRTOJXVZBCE-SJORKVTESA-N 423.326 1.213 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](O)C(F)(F)F)OC1(C)C 2267371918 HIHOPWWVPVIKBK-VIFPVBQESA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2nncs2)OC1(C)C 2267727845 YPBJRFKURXLGPR-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@H](N)C1 2282317630 ULJJIYIEBVDBQX-QWHCGFSZSA-N 400.375 1.904 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@@H](CCN)C2)OC1(C)C 2282344990 FGOBENWNTSKMQJ-STQMWFEESA-N 400.375 1.843 30 10 HDEE C=C(CS(=O)(=O)NCCN1CCP(C)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2282490889 JMWRCKHRYJXNOY-UHFFFAOYSA-N 406.294 1.402 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCCSC(F)(F)F)n1 2282493768 WCRULIWXUJQHRP-UHFFFAOYSA-N 415.268 1.251 30 10 HDEE CC[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282499831 GCAGVWWBRSYJFG-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE C[C@H]1C[C@H](CN)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507054 BFUDCYHDAWQRCS-QWHCGFSZSA-N 400.375 1.546 30 10 HDEE CO[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282511450 MMPGTFNFHWPYRO-XBXGTLAGSA-N 401.359 1.892 30 10 HDEE C[C@@H](O)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2282612945 IFPBDAVBNZHZNW-ZYHUDNBSSA-N 401.721 1.923 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282688893 AMXGXQIXFBNUAR-GDBMZVCRSA-N 404.316 1.938 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCOC(F)(F)C2)OC1(C)C 2282828829 VNMPEDPLIYCJFF-UHFFFAOYSA-N 409.285 1.802 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839233 AUDARFFYXKWIDO-QWHCGFSZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3CC(O)C3)ccc2Cl)OC1(C)C 2282866540 LGRDOLVTVBDLMN-UHFFFAOYSA-N 401.721 1.688 30 10 HDEE CC1(CNS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)COC1 2282870844 YHIJVYLURNAJTK-UHFFFAOYSA-N 401.721 1.954 30 10 HDEE CC(C)[C@H](CN)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871413 GTIAPTAJPPYKKM-HNNXBMFYSA-N 402.753 1.901 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cccc(Cl)c3F)s[nH]2)OC1(C)C 2284121235 ZKIASLOHUQTMTP-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3(C(=O)O)CC(O)C3)sc2Cl)OC1(C)C 2284467176 CMZOYIBANFBLDI-UHFFFAOYSA-N 401.677 1.409 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2290355591 UCOVXOCXNPZOIG-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2338487514 OUQUEIJVHREVQG-XQBPLPMBSA-N 402.491 1.593 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@H]3CO[C@H]2C3)OC1(C)C 2359554129 SHPDSEIXJOPNLK-GVXVVHGQSA-N 400.331 1.039 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365208617 SRBHWVCAQHSAAO-XMDUPGNXSA-N 400.541 1.603 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)CCOCCF 2365580723 XYFJLLYVRSKLRZ-UHFFFAOYSA-N 407.338 1.761 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]([C@H](O)C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOC1 2367807120 QBKRXIRXLPNGND-HRCADAONSA-N 401.525 1.495 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@@H]1C(C)(C)C 2367808699 FVURBGFUIJSNLB-NJSLBKSFSA-N 400.541 1.291 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CF)CNC(=O)OC(C)(C)C 2367809263 LPPYXKFKMGPCQT-KDOFPFPSSA-N 406.520 1.161 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367830536 JQBCGXLPOQBQAT-KHYOSLBOSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#C[C@H](OC)C1CCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369575848 QNESHUVEZRCGRH-IKGGRYGDSA-N 402.557 1.721 30 10 HDEE Cc1nn(C(N)=S)c(O)c1[C@@H](c1ccc(Br)cc1)[C@H](C#N)C(N)=O 59461798 OBQAEDYPCPDDMO-JQWIXIFHSA-N 408.281 1.508 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NC2CCCC2)n[nH]1 59887869 MOLGHCQRAFPSFI-GIJQJNRQSA-N 406.516 1.207 30 10 HDEE Cc1cccc(N2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)c1 248072290 ACSMAYCPGHYOPO-UHFFFAOYSA-N 404.518 1.733 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccccc2[N+](=O)[O-])C1=O 254485272 NSFWCAATOXHLEP-UHFFFAOYSA-N 413.375 1.761 30 10 HDEE C#CCCN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 261383516 JJLQPTVWFQZAIC-UHFFFAOYSA-N 418.563 1.318 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1=O 410115794 MQOPRFHHHGCUOL-RBUKOAKNSA-N 421.563 1.933 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NCCSCc1ccccc1C#N 410208695 ZERIXTYWIIUVHW-NVXWUHKLSA-N 410.565 1.809 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(N(C)C)c2)CC1 432055113 OWPYCJPRCSJKRK-UHFFFAOYSA-N 409.328 1.575 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1S(=O)(=O)NCC#N 434555029 RYVZBSDOSKOUEY-MRXNPFEDSA-N 423.560 1.972 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)Nc2ccn(CCC#N)n2)C1 438325947 NXMWWUONFOVNOI-CYBMUJFWSA-N 400.405 2.451 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@H]1CCCO1 440390151 ZFCAJSBPWMOBLD-CQSZACIVSA-N 401.488 1.020 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(N)=O)c1 443355744 KVILNAFTMIKPEL-HNNXBMFYSA-N 406.261 1.926 30 10 HDEE Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc(OCCO)c1 446583116 QDHULMRNIQXHFL-UHFFFAOYSA-N 403.460 1.810 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447267456 NXLJEOFJNQIDGD-UHFFFAOYSA-N 412.421 1.027 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cn1 462091334 SLHHHDHNIKUKDO-JOCHJYFZSA-N 417.473 1.897 30 10 HDEE CCc1cnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)s1 472304620 GZANCQOFGRYGEU-UHFFFAOYSA-N 407.477 1.996 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccsc2)CC1 475751725 BKJXPABTUHZYKV-UHFFFAOYSA-N 404.473 1.091 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCO[C@@H](C#N)C1 485902716 XJHWZDGZOOAKCZ-LBPRGKRZSA-N 405.270 1.387 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H](CO)c4ccccc43)C2=O)cc1 498328574 CGZXNZIWUHJCEH-MAUKXSAKSA-N 404.426 1.886 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CC1 533139707 OZFNKHQTLVFOSW-OAHLLOKOSA-N 408.499 1.283 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 536344154 VBODABAJEBDEAP-DLBZAZTESA-N 412.533 1.000 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc3nccnc23)CC1 543438732 RNZCZHRWYGFPGQ-UHFFFAOYSA-N 407.455 1.648 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1cccc(S(N)(=O)=O)c1 546880396 RXRSCHPTSYFAFT-CQSZACIVSA-N 414.491 1.193 30 10 HDEE N#CC1(CS(=O)(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)CCC1 562004517 NFGRWTJVJFVWDR-UHFFFAOYSA-N 404.536 1.729 30 10 HDEE C=CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 565866372 RLHQIVQQHBBSBW-SNVBAGLBSA-N 400.806 1.690 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)nc1 569181539 QXGHTHCEUBNBSR-MRXNPFEDSA-N 411.527 1.911 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 572859001 BMSRFEFMXPCFMX-AEFFLSMTSA-N 408.520 1.448 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2snc(C)c2C#N)CC1 580983764 UEGJTYDXYAIRNU-UHFFFAOYSA-N 411.534 1.303 30 10 HDEE Cc1ccc(=O)n(CCN2CCCC[C@H]2CNc2nc3c(cc2C#N)COCC3)n1 585623228 DXMJCSXYRDMBTM-IBGZPJMESA-N 408.506 1.858 30 10 HDEE N#Cc1cc2c(nc1N[C@@H]1COC[C@@H]1n1nc(-n3cccn3)ccc1=O)CCCC2 585631525 LBTMHKZENWNYGI-MSOLQXFVSA-N 403.446 1.626 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)CC1 590067523 OAPOTRIKKIHBGE-OAHLLOKOSA-N 407.478 1.804 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC(C)=O)cc1 604195863 WRGFAIXIKHKKFE-HXUWFJFHSA-N 407.474 1.878 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 609138503 CMISQUDFPSZQNS-UHFFFAOYSA-N 401.510 1.022 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CCCOCC(F)(F)F)CC2)c1 611089062 QFOXUMJTUWYXSS-UHFFFAOYSA-N 419.469 1.919 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 614904597 XQOFNUFCKOKTHN-MRXNPFEDSA-N 400.475 1.956 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 679755047 JPKFNRZIPMEYKB-HNNXBMFYSA-N 415.540 1.808 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccc(C(F)(F)F)cc3)n(C)c2=O)cn1 728897103 CAIHAUSGSHJUNA-UHFFFAOYSA-N 418.400 1.585 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCC(C(N)=O)CC1 729280071 JGNRXSIHQBQCAY-ZBCRRDGASA-N 420.535 1.444 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729334810 VYTYWZWYIBQRQC-IEBWSBKVSA-N 420.506 1.256 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 730143954 GDAJBCDPODJCTB-QGZVFWFLSA-N 418.519 1.336 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)CCN1C1CC1 732648728 XKZRUGOXAHHTMI-SJORKVTESA-N 408.458 1.274 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 733676311 VLGCONXQBPECKS-MRXNPFEDSA-N 413.521 1.099 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(OCC#N)cc3)CC2)CC1 734276524 MVZASTYOFAMMJO-UHFFFAOYSA-N 413.522 1.675 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)O[C@@H]1CCN(c2ccccc2Cl)C1=O 741342190 FZPHMHWJPKMNIZ-ZDBRSUKYSA-N 403.822 1.905 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 751734894 YSSPUCZBXLGNIJ-AWEZNQCLSA-N 421.500 1.331 30 10 HDEE CCOC(=O)[C@H](CC1CC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 752382686 MCBGDSTUGHKRAI-SJORKVTESA-N 412.446 1.611 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCC(c3nc(C)no3)CC2)cc1 753307745 BNWBBGLTEJCRPA-UHFFFAOYSA-N 402.476 1.746 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C1CCCC1 756912084 VHHCHKGJZZOBDY-UHFFFAOYSA-N 419.547 1.202 30 10 HDEE CC(C)CNC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760401013 HUZHHEGYCLWVOK-INIZCTEOSA-N 412.556 1.984 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 762312468 CPAMYIHGDGGICW-KBXCAEBGSA-N 417.462 1.964 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)S(=O)(=O)c1cc(Br)cc(C#N)c1 763416102 HMERYEMWJOGRQW-UHFFFAOYSA-N 409.327 1.764 30 10 HDEE Cn1c(S)nc2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc2c1=O 764434779 YMLSNRFUCLVISH-UHFFFAOYSA-N 403.427 1.927 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774176664 DROBSYACDGQNLE-PMACEKPBSA-N 419.547 1.200 30 10 HDEE C#CCN1CCN(C(=O)CNc2cc(Br)ccc2OCCOC)CC1 777937982 ZJPGYZCWFFLSSU-UHFFFAOYSA-N 410.312 1.664 30 10 HDEE COc1cc(C)c(/C=C/C(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)c(C)n1 781542710 DBOBQJGATUOMNT-CMDGGOBGSA-N 404.444 1.966 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NC(=O)C3(c4ccc(C#N)cc4)CC3)ccc21 781566808 JHNMUDROFOMRCU-UHFFFAOYSA-N 410.455 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2C1 782680924 PJUPVIYZWBIBGO-AWEZNQCLSA-N 400.483 1.515 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(C(=O)OCC)n[nH]3)ccc2c1=O 788603034 VHDXHXVGSCYRFD-UHFFFAOYSA-N 414.447 1.096 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 788680145 QCCSNQQYTSNUAF-WBVHZDCISA-N 417.418 1.402 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@H]3CCC[C@@H]3O)CC2)n1 789111650 CLCJFHVPNVFORU-PMACEKPBSA-N 403.527 1.052 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)n1 790105953 JDOLARMQYGVLMI-ZWKOTPCHSA-N 414.487 1.196 30 10 HDEE C[C@H](O)[C@](C)(CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1 790332995 HWKKKIBODLHVPC-VQNZUBHPSA-N 400.479 1.442 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC([C@@H]2CCOC2)C1 792611967 DHJGUSWNQPDKLU-PBHICJAKSA-N 405.520 1.779 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NCC#CCN[C@H](C)[C@H]2CCCN(C(=O)OC)C2)C1 792880014 NODVUJSGPQXFCQ-YRPNKDGESA-N 422.570 1.903 30 10 HDEE C#CCN(C(=O)NCc1ccncc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 798522989 DLYUWFPTCNWSQO-ZDUSSCGKSA-N 405.398 1.355 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC(F)(F)F 799832964 IYUHQIQEOLQDQX-AWEZNQCLSA-N 407.352 1.594 30 10 HDEE C#CCN(C(=O)c1nnn(CCOc2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 799934281 STLOIDAIMGXZFJ-MRXNPFEDSA-N 420.466 1.067 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 805783199 UJUQEMGWBKYVLL-RTBURBONSA-N 407.536 1.409 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 807094048 QNUFJSALMOCEJF-UHFFFAOYSA-N 408.907 1.844 30 10 HDEE C[C@@H](NC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1)C1CC1 807977499 OZDMQANHJNRQFU-MRVPVSSYSA-N 405.343 1.693 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 809926753 RKCBEAPSAYHTAM-VBKZILBWSA-N 420.514 1.474 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c1 810165693 YYXQYMRKWYMDCC-BGMUVTMHSA-N 406.508 1.877 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2cncc(C#N)c2)NC(C)=O)cc1 813983009 CZRVLPHTLXXSRC-QGZVFWFLSA-N 402.432 1.034 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1(C)C 816289947 DCGBUYJJOCVQSJ-QVKFZJNVSA-N 422.526 1.669 30 10 HDEE C#CCN1C(=O)C[C@H](N2CC[C@H](Cc3cccc(I)c3)C2)C1=O 821772100 XUARPCMJFYSUSM-ZBFHGGJFSA-N 422.266 1.916 30 10 HDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1116067006 CTAIVYBRBVDPSZ-HVCBDAARSA-N 405.476 1.526 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1129171770 JVMLBLUATIGBNK-SAKMYQHLSA-N 408.520 1.948 30 10 HDEE Cc1c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)cnc2c1c(=O)n(C)c(=O)n2C 1130433304 ZQHWALWBJCFPTL-UHFFFAOYSA-N 403.442 1.622 30 10 HDEE Cn1ncc2c(O)nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc21 1131586883 HPAFOQFWRFREHW-JTQLQIEISA-N 411.809 1.586 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3sccc3CC#N)CC2)cc1 1132971766 BEFOLQKHXJFIES-UHFFFAOYSA-N 404.517 1.685 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1134420483 AMYROCXYESJXBP-CQSZACIVSA-N 402.517 1.067 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1142593001 FIJMXTFGGUYIDB-CABCVRRESA-N 411.499 1.516 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@]1(O)CCCN(Cc2ccccc2)C1 1151224282 GOGFIFKAKYZCSR-NRFANRHFSA-N 410.478 1.084 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](OCc3ccncc3)C2)s1 1154155848 XXLCNQSWGTYVCX-INIZCTEOSA-N 421.544 1.968 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1155189355 GGEZKOODHXPWHF-CLTKARDFSA-N 412.389 1.781 30 10 HDEE Cn1cc(C[C@H](CO)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cn1 1157613578 SFJORBZVMYEEBS-INIZCTEOSA-N 404.492 1.079 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(-c4ccc(C=O)o4)cc3O)C[C@H]1CS(=O)(=O)C2 1157893088 AKLIOAGRWURPIY-ORAYPTAESA-N 400.412 1.475 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC(CN4CCOCC4)C3)CC2=O)cc1Cl 1159449381 WHROBDXMCRUSJA-INIZCTEOSA-N 402.882 1.355 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1161760193 YSPPKFWIEWFFDT-CQSZACIVSA-N 403.483 1.400 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2n1CCN(C)C2=O 1176816334 DAPKLBUJMBLHKR-AWEZNQCLSA-N 420.514 1.272 30 10 HDEE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1177474885 GODVTXPXOYGGFO-JKSUJKDBSA-N 423.491 1.028 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 1198042706 QFSDOVVZEDAXNB-QFIPXVFZSA-N 404.555 1.629 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 1211981750 LZDOSZNBLUZRQF-IUODEOHRSA-N 420.350 1.868 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC[C@H]1[C@@H](C#N)c1ccccc1 1251120190 BWOHGRMIGZRVTH-HOTGVXAUSA-N 412.537 1.525 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1251248933 XVHCNQIOXCCZHB-HIFRSBDPSA-N 412.468 1.248 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1 1255363210 JHILJVRUCHVSLB-GOSISDBHSA-N 419.533 1.964 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1286288622 IDHWJLITCQFBMS-HNNXBMFYSA-N 416.489 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1286291694 FDJBIVWZGRKTMZ-APWZRJJASA-N 403.490 1.980 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286391552 DWPOEOLAGYGPOE-HOTGVXAUSA-N 419.507 1.062 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1286393184 KPONCPCUVGOENX-ZWKOTPCHSA-N 424.567 1.616 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1286466541 JDHYRROGDAQWMN-UHFFFAOYSA-N 417.535 1.317 30 10 HDEE C#CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286513526 WRDBTQINUQRALE-HXUWFJFHSA-N 421.567 1.387 30 10 HDEE C=C(Br)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1286532644 IFBDEZXKOHTSIH-UHFFFAOYSA-N 422.308 1.960 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)CC1 1286664565 YSAAGGSFCQSPDU-GOSISDBHSA-N 423.583 1.305 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CC1 1288986458 URMDEJYDFJTDDR-JKSUJKDBSA-N 423.539 1.116 30 10 HDEE CC/C=C/Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1293700046 IVTHJCXBBLQSAC-REMYHPOOSA-N 406.494 1.789 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1294124457 YJBCBXPVDSISLX-QWHCGFSZSA-N 409.936 1.563 30 10 HDEE CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1295919554 GEDQYYXVXLCPJK-KBXCAEBGSA-N 420.543 1.283 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1298660486 NDOWFBWJYNNODD-MJGOQNOKSA-N 420.391 1.413 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1299205360 AQHJDHWRQPFNMN-JOCHJYFZSA-N 421.505 1.400 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1299273731 FMJQLUGFYAVOFR-KRWDZBQOSA-N 409.494 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1300319707 CJXYOVWNQOVQGD-KRWDZBQOSA-N 423.521 1.138 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@@H]1C 1300459838 JAPMPPSPUGHVOR-HOTGVXAUSA-N 416.551 1.980 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)CN(C)C1=O 1300591443 QRTJAASGQSHHQN-JOCHJYFZSA-N 409.465 1.937 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC 1300788428 ZEPWEUJFYFEZAL-WOJBJXKFSA-N 424.567 1.746 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1301197574 MEPAGDWHSUCGFK-MRXNPFEDSA-N 424.571 1.387 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)[C@H]1c1nccn1C 1302361921 HYHOCYSGEACMQL-CNNODRBYSA-N 422.489 1.187 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)CSCC(=O)N2CCOCC2)C(F)(F)F)c1 1302874257 QVNQRIRLBSZNMP-MRXNPFEDSA-N 401.410 1.870 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1303207472 YTQDBHSGIJCAQB-LVCYWYKZSA-N 420.533 1.971 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1307831956 UCSQQIJSZRMTAC-QGZVFWFLSA-N 421.519 1.142 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1312487113 VNDBDMVXEXAQTA-RBUKOAKNSA-N 417.469 1.941 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cn1 1312612508 LHYYVOURSOAADU-DOMZBBRYSA-N 411.300 1.854 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H](Cc3ccccc3)c3ncco3)C[C@H]1CS(=O)(=O)C2 1312922762 IVZQGGCHDCCSOM-BXWFABGCSA-N 400.460 1.538 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)CCOC1 1314134529 NWJYRAKLMPTYFY-RXVVDRJESA-N 418.542 1.269 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)CC#N 1314558044 HSISCANSOSDLKB-AWEZNQCLSA-N 406.512 1.631 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 1314682106 LKBPBORFYXLMKP-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE CN1C[C@](C)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)C1=O 1314924680 ZFDCHUPQKXQYMJ-YJPQMCDFSA-N 416.526 1.404 30 10 HDEE COC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1315124172 JQUZRBRZWCOCDQ-UHFFFAOYSA-N 424.465 1.541 30 10 HDEE C=CCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)OC)nn1 1349795195 YEPVTXGOMSGXQJ-MRXNPFEDSA-N 400.435 1.784 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@@H]1C 1358871407 FCGZITNFKVXRLC-LUKYLMHMSA-N 411.572 1.942 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1358949252 WTWNLHMDIZJOJW-MRXNPFEDSA-N 402.520 1.525 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1358954151 XBAMVBACQHQNRT-LPHOPBHVSA-N 400.479 1.987 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCSC2)CC1 1359029681 DYAAUUJFNZVYIE-GHTZIAJQSA-N 419.595 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCSCCCO)CC1 1359044516 IFKCJIZEPYYHTP-UHFFFAOYSA-N 405.568 1.627 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](COC)C1 1359294124 LCJGHLKTXKQGFI-KRWDZBQOSA-N 401.467 1.108 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(C)ccc21 1359332063 NXFWDEKMKTZZBO-INIZCTEOSA-N 415.519 1.833 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1360475981 GFEPDNACXWGVMP-WDHIOAMHSA-N 421.567 1.860 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1440808865 HCSJOQSGGXQUJS-UHFFFAOYSA-N 422.468 1.938 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1456283278 AGLDOGFTLANDKT-CVEARBPZSA-N 423.510 1.326 30 10 HDEE Cn1c(=O)c(C(=O)CN2Cc3cccc(C#N)c3C2)c(N)n(Cc2ccccc2)c1=O 1460336862 XGHVGARUZAKUBI-UHFFFAOYSA-N 415.453 1.248 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1460568867 LZKBRJWXOBOZHI-IAGOWNOFSA-N 422.551 1.592 30 10 HDEE C[C@@](C#N)(NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 1465226076 UWGDOIVCAPMRJU-WMZOPIPTSA-N 413.927 1.958 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CCN2C1=O 1465708692 BARXSLAAWGNKTE-AWEZNQCLSA-N 405.252 1.358 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 1470213645 HJSGFDVWCDPWRK-FNHZYXHNSA-N 415.519 1.486 30 10 HDEE C#CCN(C)CCCNC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1470354468 WIAZHNWVNGRVHP-SSZFMOIBSA-N 401.492 1.372 30 10 HDEE CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1471628714 CCNQAAMZQCHCOZ-SFHVURJKSA-N 420.579 1.781 30 10 HDEE CN(C)CC#CCNC(=O)N[C@@H](CO)c1ccccc1I 1471629042 DKGPCCMWMVGALD-AWEZNQCLSA-N 401.248 1.189 30 10 HDEE CC(C)(C)OC(=O)NC1CCC2(CC1)CN(C(=O)Cn1cnc(C#N)n1)CCO2 1472125748 AWSIEFOKRZHNRG-UHFFFAOYSA-N 404.471 1.215 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1)C1CCOCC1 1479006714 CAZVRKAYBWNQRH-SFHVURJKSA-N 409.490 1.591 30 10 HDEE C[C@@H]1CCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1493829257 IRXYOPOCELRWBJ-MVZUJROASA-N 407.478 1.779 30 10 HDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1503379327 AGZVCODMYNEYJK-FOIQADDNSA-N 415.473 1.738 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@@H]2CCOC2)c1 1505314455 ZSRCIIIEMTYRAX-MRXNPFEDSA-N 424.505 1.714 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CCO1 1505321861 FSCNJRZWYNTJFM-SJORKVTESA-N 423.539 1.116 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CC(F)(F)Br)CCO1 1505326153 WELZMDAMWLCSMY-LBPRGKRZSA-N 413.226 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1507543187 VBIQWRQESWNGIG-WBVHZDCISA-N 419.489 1.727 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1507617735 ZHEHWMQMQZWKIJ-SFHVURJKSA-N 417.535 1.313 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(N(C)C)CCOCC2)CC1 1507723283 CCDHZVJKZQWYCM-UHFFFAOYSA-N 423.565 1.515 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(CCn2cccn2)CC1 1508062784 OAAPDMLZJOXLIW-UHFFFAOYSA-N 412.542 1.384 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1511273070 APOKMTKGZCVWRE-MRXNPFEDSA-N 418.523 1.310 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)o1 1521095052 IDBAIFYYTFDCQC-SJKOYZFVSA-N 404.427 1.135 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCSCCCO)CCO1 1521129584 LEYIZSHLKXVUKS-CQSZACIVSA-N 423.489 1.991 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CN1CCCC2(CC2)S1(=O)=O 1531924525 ALVWDLAFEVWVMW-UHFFFAOYSA-N 400.464 1.095 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)c1cc(F)cc(F)c1 1537228652 PCLDGZKSGHKZLV-UHFFFAOYSA-N 415.368 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@@H](C#N)C2CC2)(C(=O)OC(C)(C)C)C1 1537848830 JQDRQENLJYURGG-XOBRGWDASA-N 409.483 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)CC(F)(F)F 1538972739 LJYVPIDAVTWYGF-STQMWFEESA-N 424.493 1.230 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1538973662 PLPBGGDJLDSYRB-CABCVRRESA-N 408.572 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1538977403 VVVOUOSISZRPTP-LRDDRELGSA-N 403.405 1.067 30 10 HDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539111235 PUZFMJYWNXELBT-KRWDZBQOSA-N 410.453 1.970 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539175830 BYBKPLNIHLMQRS-KRWDZBQOSA-N 417.535 1.888 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539203434 PSVNTBGSOTZEEG-LXGFNABISA-N 420.579 1.969 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1539215522 DSKYCELSMARNAN-UONOGXRCSA-N 406.537 1.113 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1539370058 SMJJUJLLXFQBQT-MRXNPFEDSA-N 418.519 1.705 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)CC1 1539436328 PUIMEPJPAWHUJT-UHFFFAOYSA-N 416.913 1.290 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnc(C)s2)CC1 1539489792 NPQVTFVQAZCYRC-QGZVFWFLSA-N 414.535 1.909 30 10 HDEE COCCOC[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1539493855 IEUNSNAXKVPLNJ-AEFFLSMTSA-N 414.462 1.275 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1539596887 QNABCNVZYDTNQW-CYBMUJFWSA-N 413.320 1.542 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539974805 VMQRHFYEAPYMDT-HXUWFJFHSA-N 421.567 1.772 30 10 HDEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539989338 UTFUPRWDYIWUKQ-GOSISDBHSA-N 408.506 1.621 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540172387 ZFLXPLAILFNZBH-GOSISDBHSA-N 416.551 1.724 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNC(=O)c2ccco2)C1 1540725875 NZVPDNPQKHVXCM-UHFFFAOYSA-N 417.263 1.896 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OCC 1540843944 CQINTRUKFFSQAX-CYBMUJFWSA-N 400.435 1.885 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540874629 MYKYXTRZOAZPMO-HDICACEKSA-N 413.478 1.338 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)N2CCOCC2)C1 1540885453 JDPPUXAQPBUCKG-MRXNPFEDSA-N 401.467 1.487 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1540904412 NBSRNJNXFKLOOD-UHFFFAOYSA-N 411.528 1.156 30 10 HDEE COCC[C@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1555428120 BRDBOHJFXBJWKX-UXHICEINSA-N 404.515 1.318 30 10 HDEE COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCC#CCO)c2)cc1 1556369749 VBAJLJFWVWDQRZ-UHFFFAOYSA-N 422.890 1.899 30 10 HDEE C#CC1(O)CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1557604681 YFSNVBDUQOBICV-UHFFFAOYSA-N 406.504 1.277 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1[nH]c2ccccc2c1C#N 1558950847 KRBFQBDHGDXMPW-UHFFFAOYSA-N 412.471 1.582 30 10 HDEE C=CCCn1cc(CN[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nn1 1560959504 GBINNQGGBMOAAW-IBGZPJMESA-N 406.508 1.826 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1561583328 GHMMXNMTCRYQJM-MSOLQXFVSA-N 414.549 1.873 30 10 HDEE C[C@H](C(=O)Nc1ncccc1O)[C@@H](C)NS(=O)(=O)c1c(F)cc(C#N)cc1F 1561839947 BWNCWUIISOXTBQ-VHSXEESVSA-N 410.402 1.879 30 10 HDEE C#C[C@@H](NC(=O)NCCCCn1cc(C(N)=O)nn1)c1ccc(Br)cc1 1564912527 HKTMXCLBBIQCIR-CQSZACIVSA-N 419.283 1.593 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1566485216 JSSUTAJQPDCDTO-UHFFFAOYSA-N 418.490 1.946 30 10 HDEE Cn1cc(CNC(=O)c2cc(N3CCOCC3)ncn2)c(-c2ccc(C#N)cc2)n1 1567483258 MLEGFRUHQIQHNB-UHFFFAOYSA-N 403.446 1.515 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1570503836 FTVJQOVXLJGQDR-WMZOPIPTSA-N 423.535 1.154 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)cc(OC)c1OC 1583893760 NUOXAJZKRUVOHO-CHWSQXEVSA-N 409.439 1.279 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C2CC2)[C@H](C)C#N)c1 1583902888 GYWWRIUUESEJHY-CQSZACIVSA-N 406.508 1.350 30 10 HDEE CSc1nc(O)c(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)cc1C#N 1584147321 GKGYQKTWUGPSSE-UHFFFAOYSA-N 420.516 1.702 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)[C@@H](O)c3ccccn3)ccc2c1=O 1587169549 QDMTYAKIBGHZJC-IRXDYDNUSA-N 412.471 1.091 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1587614631 MCFBCLNZVPUWPB-MRXNPFEDSA-N 415.567 1.792 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]34COCCN3C(=O)OC4)n[nH]2)c1C 1587636712 WGSYXQOJQBCDIR-IBGZPJMESA-N 400.439 1.027 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccn2C)n1Cc1nnn(C)n1 1588481802 LTBUZWFNZHVVHQ-UHFFFAOYSA-N 405.441 1.634 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588751480 LAYVQBRCUPDSNY-WMZOPIPTSA-N 402.543 1.987 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N(C)C)CC1 1588929467 AGVOFXKZCSYCDR-SJLPKXTDSA-N 402.543 1.088 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589078379 NCIGKYTZJDOFND-MJGOQNOKSA-N 418.611 1.586 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1593894730 FLKAKFZQBWKNFQ-UHFFFAOYSA-N 410.931 1.681 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N(C)C 1595282344 FILJXFMAMWPLSS-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2cncn2)nc1 1595296375 DJITTWXQRMSBGO-QGZVFWFLSA-N 410.482 1.445 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)NC(C)C)C1 1595730671 XWGSUWRGUBBLEM-INIZCTEOSA-N 413.588 1.976 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CC[C@H]1C2 1595760467 NDUFQKCFWVZNLC-HOCLYGCPSA-N 409.556 1.786 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1595912889 ASCVCBSGQXJKHI-SFHVURJKSA-N 418.494 1.998 30 10 HDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)CCO1 1620357217 SOAHVYPEEZXSQZ-FQEVSTJZSA-N 408.506 1.890 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1623849736 JMXZYGSNZYNUPL-UHFFFAOYSA-N 413.434 1.352 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1630323250 XELQAJIVWZDLIV-HDICACEKSA-N 412.534 1.833 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1632218423 ANAVGABTTLUSGK-IBGZPJMESA-N 415.471 1.231 30 10 HDEE C#CCN(CC(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1632292179 KLAZMBPMCQUYCY-UHFFFAOYSA-N 409.527 1.779 30 10 HDEE CN(C)CCCOc1cnccc1CNC(=O)N1CCC2(CC1)CC(=O)C=CO2 1635802459 XLJKQFCIPRLCHD-UHFFFAOYSA-N 402.495 1.959 30 10 HDEE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1CCN(O)C1=O 1636352962 PKJKNXXUQHBLFV-OQZOHAQUSA-N 409.464 1.523 30 10 HDEE O=C(CSc1nnnn1CC(F)(F)F)NC[C@H](O)C(F)(F)C(F)(F)F 1636671298 RWOQQNHJEYQONX-BYPYZUCNSA-N 403.255 1.002 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCN2CSCCSC2)C1 1638203588 RYYSWJMJOSCYSG-UONOGXRCSA-N 400.570 1.949 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1642363126 LQQFWWNWLYVAOD-SFHVURJKSA-N 416.522 1.323 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCC[C@@H]3N3CCC(O)CC3)CC2)o1 1644149642 ILMMQFCKDYXVHI-MJGOQNOKSA-N 401.511 1.565 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)CNc3ccc(C#N)cn3)O2)C1 1645706147 BPFMKTOCNDNUBG-OAHLLOKOSA-N 401.467 1.650 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(O)(COCCO)CC2)cc1Br 1645764063 SBARMCQJHKIEIM-UHFFFAOYSA-N 413.268 1.062 30 10 HDEE C#CCCCCCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1653724835 RNDDULCGAKMIFI-UHFFFAOYSA-N 420.579 1.808 30 10 HDEE CCOC(=O)c1sc2ccccc2c1CN1CCN(CC(=O)NCC#N)CC1 1653843354 DSFPFLKXKIOXQK-UHFFFAOYSA-N 400.504 1.835 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2[C@H]3CC[C@@H]2C[C@@](O)(c2ccnn2C)C3)c1 1655572622 ZJQNFFZQZOVXKE-OEWRPIJISA-N 407.474 1.564 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc3oc(=O)n(C)c3c2)c1 1656323541 UIIZLKGRBATGIP-UHFFFAOYSA-N 401.444 1.526 30 10 HDEE C=C(C)[C@H](CO)N1CCN(C(=O)c2ccccc2I)CC1 1657028722 SXMBYXQBZRSQTC-HNNXBMFYSA-N 400.260 1.986 30 10 HDEE CC1(C)CS(=O)(=O)CCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1658377754 CXBNRTIVKWDSRU-SFHVURJKSA-N 422.526 1.044 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC)CC2 1660940362 MYEJXNQTMGWZCJ-HNNXBMFYSA-N 412.533 1.350 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1669662416 GCLPXZKJUBVDNU-ZDUSSCGKSA-N 416.293 1.957 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C1CCOCC1 1670502677 UOJDVBXZEIZASH-CYBMUJFWSA-N 416.293 1.942 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1671199914 XOTJBXVSQDXKEP-NSHDSACASA-N 417.285 1.668 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1)C1CCOCC1 1674597520 WJBLJKHXJQCHOG-IIAWOOMASA-N 408.442 1.566 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1 1680778437 DLWAXZRRHUYCHU-OALUTQOASA-N 409.490 1.313 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)CC2)c1C#N 1683499286 XOQSFTIMKBIGTN-INIZCTEOSA-N 402.499 1.018 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1684752581 GPPLENVNLYAVFO-INIZCTEOSA-N 409.527 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1689855688 AQQSLBVTVFIOTG-ZDUSSCGKSA-N 407.565 1.917 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1689978484 WLGKLKSWFYWHSE-QYZOEREBSA-N 405.543 1.572 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689979696 GDTBISGYKHJVFV-DLBZAZTESA-N 409.600 1.933 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689983801 HUDXMSWKCLKRAP-KRWDZBQOSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1689986202 KQIAGZWWEWWCHC-INIZCTEOSA-N 419.551 1.963 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncc(CC)s1 1689999641 FOJTYOFJMWBNFO-CYBMUJFWSA-N 406.537 1.028 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690180706 JVXSJYSUILAVER-CVEARBPZSA-N 416.551 1.014 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCCCO)C1CC1 1690245788 MZVAEKUACDYWNN-AYBZRNKSSA-N 403.527 1.952 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690300673 HXJCBMVXVCGWQP-OWCLPIDISA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCS(C)(=O)=O 1690663303 RTOWDOQZAOAGGH-UHFFFAOYSA-N 417.491 1.474 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)(C)C)CC1 1690678508 YOCFZDORNBKSIQ-WMZOPIPTSA-N 420.558 1.225 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1695742239 OXLSXCRVPJJWDW-MRXNPFEDSA-N 410.544 1.541 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CC(N)=O)C1 1705522929 OVPLQJTWAHBYKQ-AOIWGVFYSA-N 403.527 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCC(O)CC1 1705548360 DYOLTMRTKICYKF-UHFFFAOYSA-N 411.506 1.633 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)CC1 1705782032 NACZFMQUXPPKNU-HNNXBMFYSA-N 409.556 1.355 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NC(C)C)C1 1705926539 GHQNENVUNVRPPI-INIZCTEOSA-N 404.540 1.940 30 10 HDEE CC(C)C(=O)NCCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706237202 FNZCJNDJVWBDFP-UHFFFAOYSA-N 410.526 1.767 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706646835 SYDUWAKKNFKTMK-FGTMMUONSA-N 421.505 1.497 30 10 HDEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1710135968 CNUVVQUGGUFFQK-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CCOCc1nnc(N2CCC[C@H]2CSC)n1CCN/C(O)=C1\N=CC=CC1=O 1710718663 VCUVMBQNGANVFY-YWMAMYRUSA-N 420.539 1.673 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1711845830 KUPFMZPZPURIDD-AEFFLSMTSA-N 413.478 1.966 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)COC1 1712560999 FVUPWJNRAZBQIL-WBVHZDCISA-N 404.515 1.215 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)C1 1712875814 IFGHHAHQFJLIEW-JKIFEVAISA-N 413.544 1.908 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1712878183 IFXNDTBYYHMPRS-OKZBNKHCSA-N 410.478 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1722296817 VLINNIHMIWEZRI-HOTGVXAUSA-N 409.556 1.287 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722357957 BJVHAMFEKSUWJJ-SJORKVTESA-N 407.584 1.544 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1722361311 YVBWLTDNQARMJK-MRXNPFEDSA-N 418.519 1.778 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1722380172 HBNLLEABGRNRKJ-QGZVFWFLSA-N 414.469 1.610 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722428351 FZEGVEYYELGYRV-IIBYNOLFSA-N 401.511 1.269 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(OC)C2CC2)CC1 1722432352 WGMSEFVCZSBVQQ-JOCHJYFZSA-N 423.521 1.496 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1722607848 LHSKTELHJULSCU-UHFFFAOYSA-N 414.514 1.508 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722616810 CWBPXZGQYDSFGG-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1722693879 CTKSFCDTCGMJDU-VQIMIIECSA-N 405.506 1.792 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CN(C)C1=O 1723306898 AMMSAFYPLZFPLA-OAQYLSRUSA-N 409.494 1.490 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N(C)C)CCOC1 1723680059 JEXBRDICHSNDSZ-UXHICEINSA-N 404.515 1.537 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1723912113 IPTQSSCLPMCYEH-NWDGAFQWSA-N 411.919 1.723 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1728638664 UYZFZHKTUCCDIF-RXVVDRJESA-N 419.549 1.642 30 10 HDEE COCCN(Cc1ccc(C)o1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1730749576 AZVYXNGFYVLRRV-HNENSFHCSA-N 414.466 1.667 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740579080 LDRMBABJZVUZCK-OAQYLSRUSA-N 401.511 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)OC 1740632559 LWAXIARGXAKTTP-HNNXBMFYSA-N 414.535 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCOCC1 1740654134 DTJKDYQRYTYYEZ-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)cc1 1740684417 QMFDWSVOFUXZRZ-MRXNPFEDSA-N 419.432 1.965 30 10 HDEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)C1 1740712005 ZRHZTOUJMSRWGN-UHFFFAOYSA-N 407.503 1.638 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1740773643 ABCAOCAREIZQFB-CQSZACIVSA-N 410.569 1.985 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1740871342 ARIVTNRPJKZNNK-HDICACEKSA-N 410.482 1.737 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)C1 1740954357 JSMWQOULRVFXJJ-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccs1 1740960084 KTDJGPIKGMVQOF-UONOGXRCSA-N 423.564 1.741 30 10 HDEE CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1748090327 WTEFAGHEXZVVDR-CQSZACIVSA-N 403.512 1.135 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1748746982 AARVENRTBDLWJO-UHFFFAOYSA-N 419.489 1.367 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748783303 IWCCVCGNILNYCN-KRWDZBQOSA-N 403.494 1.910 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC 1748894991 MWTSZQCOFNDFSF-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749247526 QAYRFTXGBOSLTI-QGZVFWFLSA-N 413.931 1.282 30 10 HDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1 1749512891 DGVUOCLGNPSLNV-QFIPXVFZSA-N 410.522 1.746 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749634082 GXUXEEWWEIPTSY-UHFFFAOYSA-N 420.521 1.830 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1750179335 HVCGVXFECLPZPA-KRWDZBQOSA-N 403.446 1.584 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCc2ccccc2)CCO1 1750388746 RJSQSUOVZYZNCW-SFHVURJKSA-N 410.478 1.346 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1750516914 ABTQCLMVXMJDBB-KSSFIOAISA-N 413.519 1.827 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1752103649 HSIPCZPIQTXFEM-QRWLVFNGSA-N 417.535 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCc1nnc(C)s1 1760201961 OSEBXZRYEKFRQN-UHFFFAOYSA-N 423.502 1.871 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC[C@H](CO)O1 1760245868 NJBCGMVRLMQGDQ-DLBZAZTESA-N 414.462 1.300 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H](C)C1 1760250482 ZXAPNSRQZUTNEE-GVDBMIGSSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1760262814 BYYPSSVJRVDIIH-HXUWFJFHSA-N 414.598 1.734 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(C(C)=O)CC1 1760520422 MSUBEVUFFWQKPQ-UHFFFAOYSA-N 416.913 1.959 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1C 1760548660 MMCMFMLYQRXYIQ-CQSZACIVSA-N 404.496 1.515 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCC2)CCOC1 1765921342 DEYCFTIEHBKZGJ-BBTUJRGHSA-N 418.542 1.391 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1769148315 HJXLMBIJHVHHKD-ZQIUZPCESA-N 416.482 1.333 30 10 HDEE CNC(=O)CCn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1769319918 HQVQLOWUVZXQTP-OAHLLOKOSA-N 405.462 1.667 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC4(CC3)CNC(=O)C4)n2CCOCCCO)c1 1770747659 PPPYTAKQAGYVCM-UHFFFAOYSA-N 424.505 1.322 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)CC1 1771163184 SWXZVNPJIZOSMN-UHFFFAOYSA-N 423.521 1.111 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N=c1ccnc(N2CCN(C)CC2)[nH]1 1851272876 ZULMZEIPIZPTHN-UHFFFAOYSA-N 401.902 1.777 30 10 HDEE Cc1ccc(F)c(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1853231764 WFSSUPLFBRPNTO-HNNXBMFYSA-N 408.437 1.498 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N(Cc1ccccc1)C1=CC(=O)CC(C)(C)C1 1853276990 DBSROEGKIHTSRS-LJQANCHMSA-N 418.515 1.891 30 10 HDEE NC(=NOCCC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1)c1ccncc1 1853547393 IDJNAPDJDMLALZ-KRWDZBQOSA-N 411.510 1.833 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1=O)[C@@H]1CCN(C)C1=O 1853828149 IHIVTHLLOCKJJH-RBUKOAKNSA-N 413.518 1.919 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN([C@@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065287 MTJPETKWUVJQQG-WOJBJXKFSA-N 414.554 1.867 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(OC)c2OC)C1=O 1854186594 RLARVLRMMSKRPQ-HZPDHXFCSA-N 401.463 1.164 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCOC4)C(=O)C3)C2)c(F)c1 1854195237 CCRGNMIOJNBPHD-MOPGFXCFSA-N 414.481 1.369 30 10 HDEE C#CC[C@@H](F)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 1854605930 MEYWYLOZURHIQU-WDEREUQCSA-N 411.329 1.794 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC(C(=O)N4CCCC4)C3)CCC2=O)cc1C#N 1854866439 CMLNEFBLKKTFRR-KRWDZBQOSA-N 408.502 1.800 30 10 HDEE Cc1ccn2cc(C(=O)N3CCN([C@@H]4CCN([C@@H](C)CCC#N)C4)CC3=O)nc2c1 1854947686 PWBSFDRKGNNMBP-ZWKOTPCHSA-N 408.506 1.694 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CCCO3)C2=O)CC1 1855592137 BNFKINKSUOFWHZ-OALUTQOASA-N 412.490 1.741 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)c2nccnc2N2CCOCC2)C1=O 1855824681 UATPHKRYWZTEPS-ROUUACIJSA-N 413.522 1.875 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)c3ccncc3F)C2=O)CC1 1855984669 GTODCUVWYZPLNG-SFHVURJKSA-N 408.437 1.441 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)C12CCCC2 1856216511 KUSWRVLQRCTZDI-INIZCTEOSA-N 407.511 1.792 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)CCCS(=O)(=O)c2ccccc2)C1=O 1856349490 WBVYDWNZQKDZNH-SFHVURJKSA-N 405.520 1.994 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1=O)[C@@H]1CCN(C)C1=O 1856721495 GYRNKLGXUXWUMU-DLBZAZTESA-N 409.408 1.954 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857055205 AVRQTCUCPMFCCZ-HKUYNNGSSA-N 401.482 1.852 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC(N4CCCC4=O)CC3)CC2=O)cc1 1857207428 OKZGTEPUEMXOEV-LJQANCHMSA-N 408.502 1.563 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857281986 QAUOVQBEMKODMU-CABCVRRESA-N 417.897 1.900 30 10 HDEE CN(C)C1CCN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868781874 BRIFJKRHYKRJSM-SFHVURJKSA-N 417.579 1.694 30 10 HDEE N#Cc1nnn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1NC(=O)c1cccnc1 1870104653 BVDNMVSCZJFIFU-UHFFFAOYSA-N 407.346 1.620 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873560841 OSUCDJQGNGLPOZ-KRWDZBQOSA-N 412.538 1.604 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2F)CC1=O 1874274563 SPFJFNUGWMDRNP-IKDHMPEHSA-N 418.498 1.991 30 10 HDEE CCCc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874506856 YJZWNHUASOISSO-QGMBQPNBSA-N 406.424 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)O2)C1 1881582971 RJQASYCBQVFOEJ-CQSZACIVSA-N 402.403 1.909 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N[C@H]2CC(=O)N(c3cccc(OC)c3)C2)cs1 1890354099 BARGWQWFXDNENH-LBPRGKRZSA-N 400.460 1.603 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 1900396537 QSCHRTCHDWYGHM-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCC[C@@H]2NC(=O)C#CBr)CC1 1907371555 RTSIAZRFTGDMIP-UONOGXRCSA-N 400.317 1.932 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@]2(N)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914860176 GMCPEYHDBCGABA-LADGPHEKSA-N 403.530 1.826 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)C2CS(=O)(=O)C2)OC1(C)C 1917921683 JCSJSRLDJBFLGX-UHFFFAOYSA-N 421.733 1.178 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)CCC#CBr 1990653833 UPHPHFTXOBBKMN-JTQLQIEISA-N 412.302 1.904 30 10 HDEE C#CCCN1CCC[C@@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2083606992 AWRXQARSMOQULK-MRXNPFEDSA-N 403.504 1.080 30 10 HDEE CC(C)(C#N)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2089783557 XHNONGSIXXDAIV-UHFFFAOYSA-N 418.519 1.312 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)CC2(C#N)CCC2)CC1 2174789137 MWADEOGRYQFOAS-CABCVRRESA-N 401.529 1.608 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1C[C@@H](C(F)(F)F)[C@@H](CO)C1)C(F)(F)F 2180829068 LOZZBBCWZYDFAO-KCRUCZTKSA-N 404.229 1.615 30 10 HDEE Cc1c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247782013 SKSTUMPNNCRXHP-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NCc2cnn(Cc3ccccc3)c2)OC1(C)C 2255697695 CVDNNYYZBCEXLI-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE C#C[C@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258164396 QXQFJMUWYFXXHN-IAGOWNOFSA-N 408.476 1.430 30 10 HDEE CCCN(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258182800 IHLWNBGAWLHDNK-INIZCTEOSA-N 411.480 1.410 30 10 HDEE N#Cc1nc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cs1 2258705974 QDIOSCPKSIHBTC-CQSZACIVSA-N 423.472 1.699 30 10 HDEE CC1(C)OB(c2cccc(C(=O)NCCCS(C)(=O)=O)c2Cl)OC1(C)C 2281822940 WGRUBQKEAMJIJJ-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE C[C@@H](CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281827552 XBUXHIZXVHTUQI-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1sc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281939354 DOGHDJXJYWBBMO-SECBINFHSA-N 402.347 1.071 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNC(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282318351 DTLVZLVRWCODDH-GFCCVEGCSA-N 400.375 1.775 30 10 HDEE CC[C@H]1COC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506647 VNWIOVAZOIPRQD-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)s1 2282663361 OIPQYCCXCKOBIP-NSHDSACASA-N 401.359 1.861 30 10 HDEE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282830381 SRUIRLASPZQZPB-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE Cc1cc(S(=O)(=O)NCCN=S(C)(C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282841761 XZMBPMZGHFYETR-UHFFFAOYSA-N 422.403 1.362 30 10 HDEE CC(C)CN(C1CNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855714 IRBHLEKKNASZAG-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE C#C[C@@H](CO)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282871169 CHXADORAUGOWKR-NSHDSACASA-N 420.123 1.565 30 10 HDEE Cn1nc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)cc1Cl 2282883583 CGJMEBVJSLPEIH-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H](N)C(F)(F)F)OC1(C)C 2282884093 JVLGLCFCWANLKO-LLVKDONJSA-N 414.280 1.605 30 10 HDEE CCCN(CC(=O)O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284399012 FGYSDBWOOIDHOR-UHFFFAOYSA-N 403.331 1.841 30 10 HDEE CCC(CC)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284404609 AYPWQIRELKSYAD-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE CC[C@@H]1C[C@]1(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406432 YIKYWNIHFDPEIA-QLJPJBMISA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3csc(CN)n3)s2)OC1(C)C 2286720201 GNEXJESKJLTAON-UHFFFAOYSA-N 415.371 1.441 30 10 HDEE CC1(C)OB(/C=C/CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)OC1(C)C 2289424772 LLYZMJWHWQYOGF-IZZDOVSWSA-N 401.315 1.556 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1[N+](=O)[O-] 2330795157 LRZLBNIQZVPBAC-UHFFFAOYSA-N 420.451 1.750 30 10 HDEE CCN[C@@H](C#Cc1nccs1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363533339 JOBZQXFIHVBILC-LSDHHAIUSA-N 413.565 1.897 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)C1 2365254837 RNIBTNCIUYFDNR-SCLBCKFNSA-N 403.497 1.730 30 10 HDEE COCCn1cc(C#C[C@@H](NN)c2sccc2I)cn1 2366101507 PFLHKVDYLSBARF-GFCCVEGCSA-N 402.261 1.752 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367808548 DJKJIZUBSHVVBO-XHSDSOJGSA-N 400.541 1.163 30 10 HDEE CN([C@@H]1CNC[C@H]1F)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2369655490 YLUMUTBIXFYNLU-CHWSQXEVSA-N 404.338 1.119 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 18517300 TYMQAALQKHHFCV-JTQLQIEISA-N 409.236 1.669 30 10 HDEE C[C@H](OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 21745240 NVMXILJDHZORRX-VIFPVBQESA-N 404.448 1.309 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C(=O)NCCOC)CC[C@H]3C)cc2C1=O 57320466 AJYCDZPZINFQOZ-GDBMZVCRSA-N 413.474 1.472 30 10 HDEE CC(C)N(CCNC(=O)C1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1)C(C)C 409469670 MHUMCHIZSNLBTQ-INIZCTEOSA-N 403.531 1.184 30 10 HDEE Cc1cc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n(C2CCOCC2)n1 434328438 UGTQLORUGXYEGQ-UHFFFAOYSA-N 402.476 1.968 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)C(=O)OC 435949251 LFJPUPAMJDROIC-KVSKMBFKSA-N 417.437 1.949 30 10 HDEE O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O 442280618 WWEOFBUVGSITHR-FQEVSTJZSA-N 405.454 1.124 30 10 HDEE Cc1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCCN(C)C)cc2)ccc1C#N 446758327 HQHUTWKLPOIGLV-UHFFFAOYSA-N 422.532 1.507 30 10 HDEE COC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1OC 460766048 BOJRNLOSOIOSLP-UHFFFAOYSA-N 413.415 1.735 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1cnn(-c2ncccc2C#N)c1 462092685 MOSDVOCPIZIAQF-KLHDSHLOSA-N 424.417 1.096 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)c2ccsc2)CC1 473173344 UJWSUUDUEFQKME-MOPGFXCFSA-N 402.495 1.919 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513573808 MVAAMNRQIZBGIJ-UHFFFAOYSA-N 407.540 1.419 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 522803742 MTSGIWHVUYMFHV-UHFFFAOYSA-N 410.453 1.283 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC(=O)N2C)cc1 538256826 CGNXOGVERJFALH-HNAYVOBHSA-N 410.478 1.483 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(=O)C3CC3)cc2OC)C1=O 542691170 CVHRHHPEVGRFKM-OAHLLOKOSA-N 407.492 1.451 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCO 543954161 ZXLIKGRGRANSGC-AWEZNQCLSA-N 403.460 1.543 30 10 HDEE COCCOc1ccc(C#N)cc1NCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 544081018 BBHMZQJGCUAQFI-KRWDZBQOSA-N 423.535 1.667 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 545895941 OHZVZHGRIMKKPW-QGTPRVQTSA-N 408.510 1.882 30 10 HDEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546197800 QVUGZGCBGPOQEM-CQSZACIVSA-N 403.446 1.297 30 10 HDEE O=C(CN1CCC(c2nc(O)n[nH]2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 567307418 DNOFZCXHZWUFPD-UHFFFAOYSA-N 407.396 1.876 30 10 HDEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 583050037 KEPRDYUBOHTMBM-QGZVFWFLSA-N 403.458 1.378 30 10 HDEE C=CCn1c(SC[C@H](O)CN2CCOCC2)nnc1[C@@H]1COc2ccccc2O1 588635970 OONFXKJRAHTUPE-QAPCUYQASA-N 418.519 1.762 30 10 HDEE COc1cc(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1C#N 589625749 PUVARVMGCMCPBL-OAHLLOKOSA-N 406.508 1.570 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)CC1 597461350 GOJJXXGFLFBEJI-FQEVSTJZSA-N 410.522 1.866 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(=O)(=O)CC)c(C)c2)CC1 605417110 DAOCQSLJQHZTPZ-UHFFFAOYSA-N 423.539 1.208 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 609459003 NEOOEYJBHCAQQL-MRXNPFEDSA-N 421.461 1.394 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)CC2)nc1 618813079 RWOYRHLZKZBOEJ-FDNSVCRBSA-N 419.529 1.730 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619712970 CSNLIRYTJUKTPK-WBVHZDCISA-N 414.553 1.619 30 10 HDEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1cccnc1 623014806 NQTAFJMVQSBOFV-CYBMUJFWSA-N 400.508 1.744 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 729332051 SORLLKCGNRSXMR-CQSZACIVSA-N 402.394 1.084 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(CN2CCc3ccccc32)CC1 732465096 DZHHPXXXYCGVEL-QURGRASLSA-N 423.517 1.997 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733805832 OQBNEEHRJGWQFN-ROUUACIJSA-N 422.441 1.622 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC(C)C)c(OC)c2)CC1 734265726 PTGRGKBUPHLBPZ-UHFFFAOYSA-N 404.511 1.612 30 10 HDEE COC(=O)[C@H](OC(=O)CCn1c(=O)nc(O)c2ccccc21)c1ccc(C#N)cc1 740193598 WRSQWUZTZAHRME-GOSISDBHSA-N 407.382 1.821 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 742091295 QHGLSAMYJFXFTK-CYBMUJFWSA-N 417.535 1.603 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(c3nccn(C)c3=O)CC2)c1 745821014 OIJYZDLUOKBTFG-QGZVFWFLSA-N 410.478 1.493 30 10 HDEE CN1C(=O)N(CC(=O)OCC(=O)NCc2cccc(C#N)c2)C(=O)C12CCCCC2 746548284 KZHPUFYOSBEWMY-UHFFFAOYSA-N 412.446 1.315 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C1CC1 746665106 MAXOOSPLAHWKKE-GFCCVEGCSA-N 404.370 1.974 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 747855648 BGXQMGVGJZWAGI-IRXDYDNUSA-N 413.522 1.366 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 749201203 YRAIAKYUTCDQJP-LAQRGFTBSA-N 400.431 1.333 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)cn2C)c1 751733809 INWNXXQVWWUZMD-LLVKDONJSA-N 413.386 1.654 30 10 HDEE COCCOc1ncccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756343037 WGDYPTWGADNCTQ-DZGCQCFKSA-N 405.455 1.987 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757899186 SZGDRWMHWKSSGN-NSHDSACASA-N 403.892 1.516 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)N(Cc4ccccc4)C3=O)CC2)n1 760550246 GGSNUFQSGBJIKD-UHFFFAOYSA-N 404.430 1.024 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(N2CCOCC2)cc1 764465675 ZCIPCSMZEFVMLJ-OAHLLOKOSA-N 414.487 1.700 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cncs3)c2=O)cn1 767889632 BUSRIVXHCYWBSK-UHFFFAOYSA-N 424.507 1.631 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774195721 LBZJZPFMKQARIV-VQIMIIECSA-N 405.520 1.416 30 10 HDEE C#CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 774217423 FPWFVHONDAWJQE-HUUCEWRRSA-N 401.529 1.368 30 10 HDEE C#CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 774263457 JPILNDFRCGYRFG-LXPRWKDFSA-N 416.503 1.475 30 10 HDEE Cc1sc2ncn(CCC(=O)NS(=O)(=O)CC3(C#N)CCCC3)c(=O)c2c1C 779315103 DRAHUBJWRQMHNE-UHFFFAOYSA-N 422.532 1.995 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 781394075 DBVHKCYRZHHMJF-WMLDXEAASA-N 404.488 1.557 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 787057744 XKDXNHDOMDEFOU-MAUKXSAKSA-N 406.398 1.973 30 10 HDEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)c[nH]1 789969079 UDDRHJWWMKLEQA-CYBMUJFWSA-N 415.479 1.422 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc(OC)cc3)c2C)n1 790105652 ULSNXOZDUIHOBD-UHFFFAOYSA-N 408.462 1.703 30 10 HDEE CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798745841 WEYKFMAPYFZBQE-JTQLQIEISA-N 405.436 1.693 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 812038086 GLJMKWATTQRDPB-CILBIJLJSA-N 416.453 1.289 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)CC1 849520000 UQGYVSDDOIFKSC-NJYVYQBISA-N 400.571 1.926 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cn1 1084206258 YLEVCVHVQAUSBI-UHFFFAOYSA-N 411.495 1.229 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)nc2O)[C@@H]([C@@H]2CCCO2)C1 1134203931 YDPWVPWCTWBEMF-DFBGVHRSSA-N 405.476 1.954 30 10 HDEE CO[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1C(F)(F)F 1134429227 TXZGWDHXYHHIIX-SGIREYDYSA-N 402.394 1.790 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 1142422346 DGDAONZOJFZNOT-KRWDZBQOSA-N 402.476 1.618 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCC2(C1)OCCO2 1152652434 QDOHGSQWNUWZHR-OAHLLOKOSA-N 421.519 1.697 30 10 HDEE N#C[C@]12CN(C(=O)C3(Cc4cccc(F)c4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1157883812 AFYMCWUICGSNHO-OXJNMPFZSA-N 406.479 1.562 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)Cc2ccc(C)c(C)c2)c1 1160888659 SOUMPAFVWRRMOW-IBGZPJMESA-N 400.500 1.548 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1161578709 ROAZXZSVDVETBX-OAHLLOKOSA-N 411.524 1.790 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1163176734 CDYAQAJYIYCCHT-DZGCQCFKSA-N 409.508 1.599 30 10 HDEE CN1C(=O)CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Cc2ccccc21 1167154378 QSFFAPFHALRUTH-UHFFFAOYSA-N 401.419 1.742 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(Cc3ccccc3)nc2C)CC1 1175515093 RINJIWOCFNORCL-UHFFFAOYSA-N 418.544 1.268 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3nncn3C)CC2)cc1 1178382028 LWEPUCOHJKQTII-UHFFFAOYSA-N 403.508 1.374 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c1 1208443202 SGTMNSANJMERFM-INIZCTEOSA-N 407.492 1.247 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCOCC1 1280096047 JWUHPXQMJNMZKX-LPHOPBHVSA-N 408.495 1.771 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCOC2=O)c1 1286311253 LFRPLUGEZIHVAO-UHFFFAOYSA-N 410.478 1.739 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1286323171 IXBNQDSQDLDDTC-KRWDZBQOSA-N 421.567 1.795 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286347934 DUVNSXPVQTVDDT-UHFFFAOYSA-N 416.551 1.922 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)CC1 1286470025 QRKKZTJKIXBZND-UHFFFAOYSA-N 422.537 1.167 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cn[nH]c2)CC1 1286472229 FQOSDWKDXKUULS-NRFANRHFSA-N 413.526 1.040 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)c(OC)c2)CC1 1286479133 KHFCMHQIQAODAY-LJQANCHMSA-N 422.533 1.544 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1286491317 MZMKNKHFDPSHGI-UHFFFAOYSA-N 422.533 1.556 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556154 OGBVIRLEAOTOSZ-QUCCMNQESA-N 416.570 1.783 30 10 HDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286625365 VRHQGAQYVLFQHG-ZIAGYGMSSA-N 420.853 1.787 30 10 HDEE C=CCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1286778072 XPGJUORNEMUTFW-IIDMSEBBSA-N 400.545 1.763 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1286792449 YEGYJZONNIXPSU-GOSISDBHSA-N 410.478 1.505 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1286821007 XYGLULGTUOYPRW-LJQANCHMSA-N 410.540 1.532 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1286830333 LDMZVCSMQAZSRZ-CYBMUJFWSA-N 419.507 1.924 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)CC1 1288214589 CUFVNFGIHKKXNC-XUFBONQXSA-N 401.551 1.402 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)C1 1288976485 ALHJVZWUOLKDBG-FRQCXROJSA-N 407.540 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1300307583 GKNRYIZBWHOMBA-UKRRQHHQSA-N 404.492 1.401 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1300327413 CASCZLUMIZMAHT-YSHGAJCASA-N 403.527 1.719 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300376266 IQUFHDLJACJUSM-LAUBAEHRSA-N 401.511 1.545 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1300465457 NISZKAGFULANRP-GFCCVEGCSA-N 409.434 1.023 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@H]1OC 1300554920 MNITWXKDANSGSY-QZTJIDSGSA-N 422.489 1.440 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCSC2)C1 1301482378 WBUDDMDLEPCJLL-KXBFYZLASA-N 409.556 1.638 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2ccccc2C1 1301520858 RCRDNEWLDPNNRY-ICSRJNTNSA-N 411.506 1.867 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccccn1 1301520940 UKWPGXJTSDPKPS-YJBOKZPZSA-N 400.483 1.336 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301595165 OUQZHZCMZPLHCN-UHFFFAOYSA-N 420.583 1.592 30 10 HDEE COCCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1302227417 DUAJVDRAQZLLKA-MRXNPFEDSA-N 410.478 1.829 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)N(C)C 1302312392 UDOCKAJQJYMGFX-DKKFBQAASA-N 417.558 1.129 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2SC(F)(F)F)CC1 1302924829 SZZZGPYQMITTRL-UHFFFAOYSA-N 407.439 1.524 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCOCC(F)F)cc1 1302989037 GWPNFPGOFSIUMH-UHFFFAOYSA-N 404.421 1.800 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1303004705 SDOFUVISPONMCU-MOPGFXCFSA-N 424.505 1.607 30 10 HDEE C[C@@]1(C#N)CN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 1312606954 CPOJLCTZIBOVLO-WMLDXEAASA-N 407.268 1.878 30 10 HDEE C#C[C@@H](NC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12)c1ccc(Br)cc1 1312936094 FYAUDOKJFXPZDI-CYBMUJFWSA-N 415.251 1.696 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2=CCCOC2)cc1 1316529079 AMVSATFUFWXGFN-UHFFFAOYSA-N 422.489 1.634 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1358941914 BVVFSPSSTBMRTP-UHFFFAOYSA-N 400.508 1.558 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1OC 1358954152 XBAMVBACQHQNRT-QFBILLFUSA-N 400.479 1.987 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1359030927 KMUMPDJKOHCWLX-KNQAVFIVSA-N 416.570 1.027 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2csc(COC)n2)CC1 1359039828 XPJQBBBONZKFDI-MRXNPFEDSA-N 402.524 1.536 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccn(C)n2)CC1 1359042780 UCEQEWUUGLIHPO-UHFFFAOYSA-N 407.478 1.594 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1359216367 VIIVOSYUJQFKSB-MRXNPFEDSA-N 409.556 1.595 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359304880 MJOJWPUHNVHAJL-WMZOPIPTSA-N 424.505 1.183 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(F)(F)CO2)C1 1359310824 IAMUOBPDDQDIJZ-LSDHHAIUSA-N 411.453 1.720 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(O)CC1 1360211350 FQLUFVBAQUBZIS-UHFFFAOYSA-N 424.505 1.861 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC(C)(C)C1 1360218267 DLYKWJVTVKMAQJ-NRFANRHFSA-N 417.558 1.657 30 10 HDEE Cn1cc(C(=O)N2CCN(c3ccccc3C#N)CC2)c(I)n1 1434974813 HOGSUAQIVZVUAA-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1 1438001780 PLVJGHGAHZRJMG-ONEGZZNKSA-N 409.471 1.931 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OC 1438397857 BXZJQSFOEOCRIK-AWEZNQCLSA-N 402.494 1.341 30 10 HDEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)n1 1439611737 GUHPCJGWWXGCTH-ZBEGNZNMSA-N 401.410 1.775 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cc(Cl)sc3S(N)(=O)=O)CC2)cc1 1440420566 BYJSDFVFOKXMJI-UHFFFAOYSA-N 424.935 1.879 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nnc(N)o3)CC2)ccc1F 1452747127 KPCMVOKMCCCFCG-UHFFFAOYSA-N 409.443 1.275 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2Cc3cccnc3NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1455343668 VYFLLMNYZSVIAV-QGZVFWFLSA-N 407.279 1.982 30 10 HDEE O=C(CN1C(=O)CNC1=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456584647 GHSIOOMCXJUYRJ-WDSKDSINSA-N 409.233 1.168 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1457228995 RVZUIMDFDDWUOG-UHFFFAOYSA-N 408.524 1.152 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc3nc(O)n(C4CC4)c3c2)c1 1457979569 ILRXBSUCCJQZIL-UHFFFAOYSA-N 411.443 1.865 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CCC2=O)c1 1464288029 JFSSFLPDJVBVSK-LTGZKZEYSA-N 420.491 1.367 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)nn1 1469216306 RSLBPWJOBQMXNX-ZRJCITRHSA-N 411.384 1.066 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c(=O)nc1O 1470361529 TUJGFVSKKYGOPQ-TZMCWYRMSA-N 408.336 1.119 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCOCC2)CC1 1470816486 WWWPKYCNOOMGMT-UHFFFAOYSA-N 422.526 1.231 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)n1 1471310685 GUGSQAGVUBHQKM-UHFFFAOYSA-N 417.535 1.639 30 10 HDEE C#CC[C@H]1CCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473788529 NVHZBHLDARLYRK-HOTGVXAUSA-N 419.526 1.044 30 10 HDEE C#CC1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1475854256 ZEKBQTSBWKVJOI-UHFFFAOYSA-N 407.492 1.593 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-c2nccs2)CC1 1477225569 LNYOWPNUKXXBKY-UHFFFAOYSA-N 405.505 1.427 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1503365633 SLLQLHSKRYLJCI-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE CN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1503528155 ICPALPVHBNAAJW-CWFNNOHCSA-N 400.483 1.892 30 10 HDEE COC1(C)CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504038097 SETZIOVFOWPONV-HNENSFHCSA-N 423.477 1.015 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C)CCOCC1 1505082364 QHYQFYXGYDUZFW-BBWFWOEESA-N 405.499 1.548 30 10 HDEE C[S@@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1505148623 ANAVIRMWFJMTSO-DZCOJIAESA-N 421.567 1.837 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCN(C)C2=O)CC1 1507575628 SLNRAPXDHWCAHY-QGZVFWFLSA-N 403.527 1.864 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(C)=O)CC1 1507637806 UAWVKFKJJAJZCE-UHFFFAOYSA-N 412.538 1.528 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1507641396 DOGKKILXCFAMCK-NRFANRHFSA-N 413.478 1.574 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1507650899 WSOSSGRUAHZEJL-ZWKOTPCHSA-N 421.492 1.949 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2cnn(CCOC)c2)CC1 1507723181 YQBLAVILUASUQO-UHFFFAOYSA-N 423.496 1.731 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507959387 PLICLXICJGUHRD-HZPDHXFCSA-N 404.467 1.799 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1)C1CC1 1507993357 PRMZJAUFGXWMFF-KUHUBIRLSA-N 406.508 1.836 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1508012823 JYEXDCKCCMCZIZ-MRXNPFEDSA-N 407.540 1.517 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1508038799 KSSZEIVFVSZSEU-INIZCTEOSA-N 422.555 1.218 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C#N 1508091967 OMKRFELOZBQFEL-CYBMUJFWSA-N 401.496 1.168 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCOCCN(C)C 1508997434 RUQQXUWZLZZDGM-UHFFFAOYSA-N 412.542 1.573 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@@H]2C)CCOC1 1509793360 XIGJTQAEZIJCCK-BBTUJRGHSA-N 420.558 1.778 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1510305807 SRHIPSJIIFMRKZ-AOMKIAJQSA-N 421.505 1.433 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1519195578 RFTJAOTUBHKSGK-JXXFODFXSA-N 420.489 1.109 30 10 HDEE Cn1cc(I)c(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)n1 1521789589 NNAUJHNIMPJNNE-ZDUSSCGKSA-N 419.226 1.895 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)NC)cc2C1=O 1529497928 LSLWFBAGOZYCNP-IBGZPJMESA-N 403.438 1.782 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531978028 LBGMGYLWEFPNND-JLTOFOAXSA-N 415.519 1.769 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CCOCC1 1533501003 ONMHKLKHPFEAAI-WOJBJXKFSA-N 404.532 1.773 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1534418043 IWHUJJQDUUHVOB-SFHVURJKSA-N 406.504 1.444 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1539171210 IRVBNUBEOFCCMB-JOCHJYFZSA-N 419.489 1.223 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539202916 MEKWWPGODGLPID-ROUUACIJSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539258543 XTALDOSRAOSRGY-UHFFFAOYSA-N 423.477 1.102 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1539343083 DBZMGJKBUJKVHD-HUUCEWRRSA-N 403.508 1.524 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1539343137 FVOKRKLRLHWBMI-IAGOWNOFSA-N 418.567 1.873 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)C(=O)NC 1539403715 WQLMVAAAKVDDRD-UHFFFAOYSA-N 404.902 1.852 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1539441075 KCSHOQSMTBNQAJ-UHFFFAOYSA-N 407.522 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1539483290 VWYGSHVSWMOHJJ-GOSISDBHSA-N 416.570 1.163 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539998603 LUJBRSFARVVCAD-KRWDZBQOSA-N 411.572 1.904 30 10 HDEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540007101 JVGJPDHIIFUQED-MRXNPFEDSA-N 412.469 1.121 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1 1540067379 FPQZBARUHQJKRA-UHFFFAOYSA-N 410.478 1.744 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1)C1CC1 1540095536 RQXHPEKPRAZJQK-NRRJATNASA-N 415.585 1.344 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1540870492 OTXQUVQUVNKUPM-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1540871682 QULPWHIJJWEGAZ-IAGOWNOFSA-N 418.542 1.073 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)NC(C)C)C1 1540887031 OGEQZNOIBODMLJ-MRXNPFEDSA-N 423.539 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1540901550 HSBZCOPBPGSBKN-CQSZACIVSA-N 408.528 1.283 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1541798276 GBGVKXAQLFJGFR-MRXNPFEDSA-N 401.515 1.117 30 10 HDEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ncc(C(=O)OC)s1 1544771550 FVXKORTXSUILMX-UHFFFAOYSA-N 408.461 1.133 30 10 HDEE CCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1546476070 SVSGXXMYTLVAIK-CZUORRHYSA-N 404.412 1.936 30 10 HDEE CCCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1547255891 CKAVNRPNFURGMA-WMLDXEAASA-N 412.450 1.046 30 10 HDEE COCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1555306696 YDUNYVIQHZHJRF-DYESRHJHSA-N 419.526 1.864 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCC1 1555753317 NRTPBRSAXUJUNZ-ULQDDVLXSA-N 404.515 1.215 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCNC2=O 1558352728 SRVYFZCRCSEBTH-ZDUSSCGKSA-N 406.487 1.230 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC(C)(C)C)cc1 1558716091 NHNCGVKZKBXQAP-SJORKVTESA-N 406.504 1.838 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OC 1559024384 DYOODYDERAZRFE-UVPYHEFZSA-N 424.494 1.798 30 10 HDEE N#Cc1ccc(Br)cc1OCC(=O)NCc1ccc(OCC(N)=O)cc1 1559422223 CSKLSLJMJVXHAN-UHFFFAOYSA-N 418.247 1.880 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(c3nccn3C)CC2)c1 1561883995 WYRIRRPDPDZBPN-UHFFFAOYSA-N 404.492 1.008 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCSC[C@@H]3C#N)nn2)C1 1583725861 QKRKBXWAJTYVDX-KGLIPLIRSA-N 406.512 1.931 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1=O 1583893262 YMVYJLQPVFRUMJ-ZIAGYGMSSA-N 413.352 1.678 30 10 HDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1584853221 MOQOPPFVOWMKSB-ISLYRVAYSA-N 406.464 1.328 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccc(O)cc4)CC3)CC2=O)cc1 1587333545 DXLBTOUUKUSQIS-LJQANCHMSA-N 404.470 1.961 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)nn1 1587479593 MXTHQFMKDJOWRK-UHFFFAOYSA-N 406.288 1.626 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1587640172 PMHFUFURPYSRPB-HOCLYGCPSA-N 416.503 1.458 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(=C)C 1587765149 BIXFCDCYLOPETG-KRWDZBQOSA-N 409.556 1.817 30 10 HDEE CCOC(=O)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1588157485 ARVFQXLFQPKURQ-QGZVFWFLSA-N 407.492 1.226 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1588864807 KFNMTLFQRDSTBR-UHFFFAOYSA-N 406.490 1.399 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589403528 AFKSBBBDPSPEDZ-VXGBXAGGSA-N 405.318 1.314 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CCOC 1594942798 FNAOAQVNGYXAOK-IBGZPJMESA-N 422.555 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595529997 PBXJVBCRMDDRPC-QGZVFWFLSA-N 406.494 1.127 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCOC2)C1 1595785276 VDJBIXXWCWXQCP-LJQANCHMSA-N 403.508 1.558 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)CC1 1596080091 VUNKZSKNXKWPMJ-HNNXBMFYSA-N 405.501 1.853 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039492 OQKDYXIKKGQGSY-KSZLIROESA-N 421.538 1.895 30 10 HDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1603169858 CTTOKQORTPWKLY-HLIPFELVSA-N 416.526 1.580 30 10 HDEE COc1cnc([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1O 1603345404 FOTBPUXVNWGXID-HOCLYGCPSA-N 407.430 1.779 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1 1611620939 CAIHCZMJFGMSCR-LAUBAEHRSA-N 410.526 1.833 30 10 HDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CC1(C(N)=O)CCOCC1 1612572316 BNKDPTIYONTJNY-UHFFFAOYSA-N 424.505 1.788 30 10 HDEE C[C@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612809163 NGZLYPIULBOYBM-HFUDNHEJSA-N 413.482 1.029 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1616142091 JXGJMPXZWIXGST-VBKZILBWSA-N 416.482 1.261 30 10 HDEE C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1618411256 PRDPSZLKRQODOD-CLCXKQKWSA-N 413.540 1.999 30 10 HDEE CN1CCCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 1624892162 CERADHKFUMKCPK-ZKCWRFQVSA-N 406.508 1.696 30 10 HDEE CCO[C@@H](C)c1noc(CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1629921512 CROIHFCNUBGNSQ-NSHDSACASA-N 410.427 1.876 30 10 HDEE C=CC[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCN1C(=O)OC(C)(C)C 1630030536 MAXFLQSOHAYQRD-HXUWFJFHSA-N 417.466 1.283 30 10 HDEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)nn1 1630445783 OCKVCUPTMUKNRY-UHFFFAOYSA-N 404.279 1.366 30 10 HDEE C[C@H]1Cc2ccc(Br)cc2CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1630884054 GZSFIMDRSYTMGZ-JTQLQIEISA-N 403.236 1.556 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)CCOC)CC2)c1 1631552826 JQWAQVGGCDHJMP-UHFFFAOYSA-N 406.504 1.241 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(C)[nH]c(-c2ccncc2)nc1=O 1632229118 ZYFXOVOVQHXDPO-UHFFFAOYSA-N 410.474 1.876 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)c1 1633708507 RNULUEMVIJVJAC-FQEVSTJZSA-N 415.515 1.803 30 10 HDEE Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636304044 GBMWMGHYAYYSKU-UHFFFAOYSA-N 404.488 1.914 30 10 HDEE C[C@H](CC(=O)NCCOC1CCSCC1)/N=C1/NS(=O)(=O)c2ccccc21 1636948300 FMMDQUFYIJKYEZ-CYBMUJFWSA-N 411.549 1.532 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCn3cc(CO)nn3)C2)C1 1638462878 CWTCPSPVXFXHQG-RDYUPDBUSA-N 418.498 1.064 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2ccccc2[C@H]1CO 1639188746 AWQHBTNIURPHIL-KBXCAEBGSA-N 415.471 1.180 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](C#N)CCc1ccccc1)CCS2(=O)=O 1640208679 STZSBXKFBOBDML-RAJLDSNDSA-N 418.515 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1640370619 RDZIQBJZNXUWJC-QEJZJMRPSA-N 417.466 1.115 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1642363125 LQQFWWNWLYVAOD-GOSISDBHSA-N 416.522 1.323 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1 1644597213 SSLIVWRIHBIZBJ-ZDUSSCGKSA-N 414.911 1.810 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)cc1 1655372644 YCIOPGNOJMZNLC-UHFFFAOYSA-N 412.464 1.688 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 1655764805 ODUUWTOXCAHEHC-GCJKJVERSA-N 419.522 1.844 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(CNC(C)=O)ccc1OC)C(=O)OCC 1656400681 VYIARVVAKXNCHM-CQSZACIVSA-N 418.899 1.684 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CCC3CCCC3)CC2)cc1 1660628677 BIVQNVNWSHVRPB-UHFFFAOYSA-N 411.549 1.775 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2 1661051064 FJDNGJBSGWEYQA-UHFFFAOYSA-N 406.913 1.494 30 10 HDEE C=CCN(C(=O)Nc1cc(C)c(S(N)(=O)=O)cc1C)[C@@H]1CCS(=O)(=O)C1 1664564358 CPEWQGWASUMDLJ-CYBMUJFWSA-N 401.510 1.158 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1680024187 BVKYUOSWMJORHO-INIZCTEOSA-N 404.492 1.320 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 1681302055 UPTVRZDQGBQMKL-QGZVFWFLSA-N 411.462 1.728 30 10 HDEE C#C[C@@H](CC)NC(=O)NC[C@H](O)COc1ccc(I)cc1 1681724370 KVOHQBOZPYEYGB-STQMWFEESA-N 402.232 1.742 30 10 HDEE C#C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682344943 PJWSMRZUBKJIGT-USXIJHARSA-N 419.526 1.585 30 10 HDEE CCn1ncc(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1684126444 IOAPETBUFHSRQM-UHFFFAOYSA-N 411.445 1.509 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1689933296 IQGRJBHOHLFAOD-UHFFFAOYSA-N 423.489 1.642 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1689991618 AMGJAOIFSJRDFR-CQSZACIVSA-N 403.508 1.382 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCn2ccnc21 1690052182 CKIXUSMOMBIARJ-GOSISDBHSA-N 405.506 1.638 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690328020 COWLNCKMICSYRY-HEHGZKQESA-N 419.935 1.025 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1690449635 MJEXVPUGXATJPF-UHFFFAOYSA-N 404.515 1.341 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690465322 XTAODGOXVGPDJB-HLIPFELVSA-N 424.567 1.921 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C)C1CC1 1690545374 PKSIZRXSKHWDEF-PTFIGZPYSA-N 414.597 1.882 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690669931 SOQHRVPFVJMPOO-HNNXBMFYSA-N 424.571 1.004 30 10 HDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1693382356 SFMWHNHYVRJUBV-RDJZCZTQSA-N 419.555 1.761 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1696935969 JHDPQNONMBXVMG-ROUUACIJSA-N 410.478 1.309 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1705534221 CALNFODYWLEKLV-QGZVFWFLSA-N 420.539 1.154 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705538289 IOOXMGGGTNITBX-KRWDZBQOSA-N 404.540 1.567 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC(F)F 1705546264 GUDMZSPBCFXRAH-UHFFFAOYSA-N 415.242 1.497 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCCc1cnn(C)n1 1705585339 CMGUBNNAYUAYJO-UHFFFAOYSA-N 403.490 2.000 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705614911 ABWDMMXCRCIIBJ-HXUWFJFHSA-N 423.565 1.666 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1C 1705620668 AXHIPFXFSWAAOL-UHFFFAOYSA-N 422.493 1.410 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCNC(=O)C(C)C)CC1 1705637156 LIBFLAFWTMYPGU-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705701451 GPKWIPHFASDIOG-SZMVWBNQSA-N 416.526 1.588 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)C1 1705788339 XAQIMVNELFEYNW-UHFFFAOYSA-N 421.509 1.802 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705907997 DVAKTIFFZXRNQN-SFTDATJTSA-N 419.526 1.239 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1706601201 FXIKUHOFHSSFRZ-OAQYLSRUSA-N 413.526 1.557 30 10 HDEE Cc1cccnc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1707688241 GFJYZALBPNTCDT-DYESRHJHSA-N 412.494 1.799 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1708258508 FIYWKYBEGVJTRE-MRXNPFEDSA-N 413.478 1.495 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@H]1OC 1708728528 AHGOGBBIDCORED-NBQZKYEYSA-N 422.505 1.690 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1709900651 FFHIJAVOPZCBSH-UHFFFAOYSA-N 423.521 1.742 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1710418018 VGYFNSVWSSJZTQ-FOIQADDNSA-N 416.482 1.578 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)C1=O 1711272006 KGLKQYOQLZKREU-VGOFRKELSA-N 424.505 1.680 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1722349990 IQNWIQHPSBXSQQ-UHFFFAOYSA-N 403.490 1.523 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CC1 1722373605 KTKRXPFALFDQOU-NGOKVRLYSA-N 404.536 1.303 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)Cc1ccccc1 1722378962 JZTNPSQPQDIIEO-UHFFFAOYSA-N 401.474 1.410 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1722420988 JFSJDEHARCBJPX-YJBOKZPZSA-N 414.453 1.440 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1722423789 PCNGAKCMNBUWQB-NRFANRHFSA-N 416.478 1.200 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)CC1 1722432753 CURBDYIBQDOAFX-UHFFFAOYSA-N 419.327 1.706 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722554920 VMONVBXTNVVHSB-SFHVURJKSA-N 405.890 1.923 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN(C(C)=O)C1 1722678173 VKFSHPSNNSFCMO-QGZVFWFLSA-N 401.515 1.576 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1722705443 YRRCKBPCLFDTFT-INIZCTEOSA-N 419.551 1.924 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCSC[C@H]1C 1729220611 CHLCDJKAEZPGIE-CQSZACIVSA-N 420.564 1.698 30 10 HDEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1730963001 VFTKJMQCDVEKAG-SFHVURJKSA-N 411.510 1.757 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1731188091 BIWXZJVNHDYWAP-ROUUACIJSA-N 410.478 1.217 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740567426 RBIDUJRBQWFDSA-JKSUJKDBSA-N 407.478 1.444 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCC=C)CC1 1740701260 AKFAHPBIZHWXIJ-UHFFFAOYSA-N 410.478 1.115 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1740724848 ISYGVTXDMMAQHX-FZKQIMNGSA-N 402.480 1.393 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1740876099 OFDRMGQEGOPOIY-YLJYHZDGSA-N 423.583 1.447 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1741801435 AQBSKZFDWOKYRW-CABCVRRESA-N 410.544 1.540 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccn1C(F)F 1748784936 VUOQUMMEXWHHDD-UHFFFAOYSA-N 424.415 1.901 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CC[C@H](CO)O1 1748800305 UUCLZRKRFAQAPM-DLBZAZTESA-N 400.479 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748889822 HAYGXLBWMTUJOD-JLUOLNIDSA-N 422.489 1.161 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1749130415 LKCIWQCGYXZHSS-MKXGPGLRSA-N 419.526 1.105 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1749211171 VEAYJAQLRSVKGZ-UHFFFAOYSA-N 422.530 1.678 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cnc(C)s2)CC1 1749736128 ZYUBTFQVOWZYGP-UHFFFAOYSA-N 424.596 1.528 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1750192042 ZNKWXJLEPMRZNF-RHSMWYFYSA-N 411.503 1.929 30 10 HDEE CSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750333450 WMSVNJVRGMDJHZ-OAHLLOKOSA-N 413.507 1.517 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](C(CC)CC)N1CCOCC1 1760205919 NACLGAWPTFZLJO-NHCUHLMSSA-N 413.566 1.992 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1760294665 DBHINTGLGUPWOF-OXQOHEQNSA-N 416.551 1.571 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760348906 QOMITEOHQNAMKZ-JYJNAYRXSA-N 400.545 1.838 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760520276 IOWFMZZPJZZQNS-TZMCWYRMSA-N 412.416 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760556152 VXDJHTBSZRPWEZ-SJORKVTESA-N 421.567 1.784 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1761042628 RVCYMBNISURAHQ-CVEARBPZSA-N 412.485 1.561 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1763637008 PXFKACNVIDYCQS-CYBMUJFWSA-N 406.512 1.823 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](F)COC 1764180992 LEBOGPDGICGDFO-PBHICJAKSA-N 421.521 1.358 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1772842594 UOVVAQJVILVCHT-BFUOFWGJSA-N 402.455 1.407 30 10 HDEE COc1cc(-c2cc(C(=O)NCC#CCN3CCOCC3)n[nH]2)cc(OC)c1OC 1850016183 AQKZNNYIVDOQQH-UHFFFAOYSA-N 414.462 1.168 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C(C)(C)C2=O)C1 1853676786 VXNCHHSICZBDKX-AWEZNQCLSA-N 402.520 1.828 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc3cccnc23)C1=O 1853805128 ZADASMACBNZZLV-QZTJIDSGSA-N 407.474 1.480 30 10 HDEE CC(C)c1cc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)no1 1854196236 MAZZOGPBZXVQLL-KRWDZBQOSA-N 409.446 1.959 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccncc2F)CCN1S(=O)(=O)c1ccccc1C#N 1854459885 NVJIJZCUZGYVTA-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)COc3cccc4ccccc34)C(=O)C2)C1 1855046174 RYRNOEXHZRBKOL-IBGZPJMESA-N 406.486 1.877 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)CCn3nnc4ccccc4c3=O)C2)CC1 1855590434 IMEYQABPRNQJNQ-KRWDZBQOSA-N 409.490 1.599 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@@H](F)C2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856236218 ZZXNKWXRLCDVEU-LIRRHRJNSA-N 414.485 1.372 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCCN(C4CCSCC4)CC3)C2=O)ccn1 1856480645 MVNWYFVMOMPTLR-LJQANCHMSA-N 413.547 1.598 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(=O)C2)C1 1856871803 DSSQXWHWSBYKMR-QGZVFWFLSA-N 412.490 1.224 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(C(C)=O)cc2)C1)[C@@H]1CCN(C)C1=O 1857055191 ATXICQXBWZESEP-FXAWDEMLSA-N 411.502 1.987 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C3CC3)on2)C1)[C@@H]1CCN(C)C1=O 1857066975 BPQKYWQKTFATCV-RHSMWYFYSA-N 400.479 1.650 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nnc(C2CCOCC2)o1 1857244875 TXYKMXBADQBNCF-AWEZNQCLSA-N 409.446 1.708 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccncc3)C2)CC1 1857380589 FNJMOQOPXCKRTL-KRWDZBQOSA-N 404.474 1.549 30 10 HDEE C[C@@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857887004 MAPRLIUHGWRLFV-SNVBAGLBSA-N 417.443 1.367 30 10 HDEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)[C@@H]1CCS(=O)(=O)C1 1858438166 VABJYGBXFDESQV-OAHLLOKOSA-N 406.489 1.377 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN1CCC(O)CC1 1870570644 HKQDKGNOUJJSOJ-UHFFFAOYSA-N 419.507 1.168 30 10 HDEE COC(=O)C1CCC(CN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)CC1 1872724481 IBIRQXNSTSIAEV-UHFFFAOYSA-N 420.535 1.645 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)C1 1880977877 FYMMWJHNRFLSCL-CYBMUJFWSA-N 403.435 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@]2(COCCN2C(=O)C#CBr)C1 2006267810 UEKPGIQGYYJDML-INIZCTEOSA-N 403.273 1.207 30 10 HDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N 2106664148 IIPFPDUUNULJPK-RUZDIDTESA-N 402.498 1.452 30 10 HDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N 2106664346 KVECJJIRPGQTIV-RUZDIDTESA-N 402.498 1.452 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(N)cc1C#N 2108232408 YBWUJQPRARJEPR-IBGZPJMESA-N 416.434 1.907 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2118163979 VIYFGXHDQWLRCJ-SROSRKMPSA-N 406.530 1.232 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC(C)(C)C#CC(=O)O)C1 2138046204 ZTZJXZQALCVIKS-KKSFZXQISA-N 402.447 1.785 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C[C@H]3CC[C@H](F)C3)s2)OC1(C)C 2150388942 JBCFAFVJGJCOFI-RYUDHWBXSA-N 404.338 2.000 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2157047150 GUJOSSFSFYXDEQ-LLVKDONJSA-N 403.331 1.370 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCCN1CCCN(C(=O)OC(C)(C)C)CC1 2174786975 PASFLSPVAMMSCV-INIZCTEOSA-N 402.561 1.644 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(S(=O)(=O)CC2(C#N)CCC2)C1 2188796635 GIRZGROKFKKZAV-QWHCGFSZSA-N 401.485 1.452 30 10 HDEE CC[C@H](C#N)S(=O)(=O)NC[C@@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471500 BWQJSCYJTZRGAK-OLZOCXBDSA-N 410.487 1.394 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)CC1 2195972235 UUXODXZAXCWSCV-UXHICEINSA-N 407.474 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247812380 PIMXIWFPTOXEDZ-KGLIPLIRSA-N 422.287 1.590 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2247819298 FJUYNNVDURCWDE-UHFFFAOYSA-N 408.311 1.667 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827276 GSMYIGHASPXOGH-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2247850334 MZNYSDZXCFFRHU-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2247860916 CUPBAWXXAVQFPS-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c1 2248412950 QKDFODMLEBPWIH-UHFFFAOYSA-N 418.303 1.772 30 10 HDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCCC#CBr 2250008733 PJLQDWHQQMWMIO-JHJVBQTASA-N 405.289 1.498 30 10 HDEE CCNC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267353611 LYMWJIZLQLSJCM-UHFFFAOYSA-N 406.766 1.683 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@H]4C[C@@H]43)cc2Cl)OC1(C)C 2267356835 OSEGFRLMSVUCQA-QWRGUYRKSA-N 405.734 1.863 30 10 HDEE CCS(=O)(CC)=NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267702641 JOCGONSBZXQTEZ-UHFFFAOYSA-N 408.376 1.780 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@@H]3CO)cc2Cl)OC1(C)C 2267705348 XOIFQVSMXIUFNT-KOLCDFICSA-N 407.750 1.750 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCN(C)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282302117 ULHBGVMTWBPUAF-STQMWFEESA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327177 DPCDKCPHVDHHSC-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2282334903 HYOFBXJTDLTUIF-QWHCGFSZSA-N 401.359 1.875 30 10 HDEE CC1(C)C[C@H](O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282489139 FOWSCLHBWIXSPZ-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CN(C[C@@H]1CCN1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491197 KCYPVDSALMYQOC-ZDUSSCGKSA-N 400.737 1.622 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C1CNC1 2282495238 JTTZMLWTCNBIPU-LLVKDONJSA-N 400.737 1.525 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3O)c(Cl)c2)OC1(C)C 2282495884 SNOBKEYOYASXNS-KGLIPLIRSA-N 401.721 1.831 30 10 HDEE CN([C@@H]1CCC[C@H]1O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499169 NDPWISMXYBOAHR-ZIAGYGMSSA-N 401.359 1.722 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282507954 ONSOBCLNLMXQQU-JSGCOSHPSA-N 400.375 1.546 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H]1C1OCCO1 2282539244 RBLOPUMZLMVYEO-MRXNPFEDSA-N 403.284 1.972 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(OCC(N)=O)C3)sc2Cl)OC1(C)C 2282620720 IXDIKXIPUJYYMX-UHFFFAOYSA-N 400.693 1.027 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CO 2282839532 FMPZUCGMFXZWJI-NSHDSACASA-N 404.363 1.269 30 10 HDEE COC[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1=O 2282851175 YNGUFDWAGJEFTE-LLVKDONJSA-N 401.315 1.231 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1CN 2282852358 OCYBEMVIWRVPQC-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC1CC(CO)(N(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282873410 LDCLFLGXWWTZEX-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N=S2(=O)CCC2)OC1(C)C 2282874211 XDPUVEAAKFMOCG-UHFFFAOYSA-N 407.269 1.824 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)OC1(C)C 2282876042 XIGKNPXRGCFWLP-STQMWFEESA-N 405.684 1.343 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284403465 RWFKZGPXKCAJTP-MFKMUULPSA-N 401.315 1.531 30 10 HDEE C[C@@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284416244 VSZMRYKDNMOQDX-GHMZBOCLSA-N 401.315 1.531 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2300275755 GNZLWHJXPFZALN-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1C[C@H]2CC(=NO)C[C@@H](C2)C1 2317762915 BLBOQATUCBTQEC-ZIAGYGMSSA-N 405.476 1.565 30 10 HDEE Cc1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)o1 2322659695 SLNVKCZJBGBZRR-JTQLQIEISA-N 415.269 1.713 30 10 HDEE CCCN[C@H](C#CC(C)(C)OC)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363511351 PESOOYPEQMPVBC-BEFAXECRSA-N 402.557 1.865 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@H](CS(N)(=O)=O)C2)OC1(C)C 2364859471 ZQGAWTIIQNSGML-NSHDSACASA-N 401.725 1.149 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365204851 OZIJOJXICWFJTH-XHSDSOJGSA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367795965 OMJMDPKEVYSUSF-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2375230958 ZDLMEWXYRYPBRS-KDOFPFPSSA-N 402.513 1.257 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc([C@]4(C)NC(=O)NC4=O)c3)cc2C1=O 53283595 LOXZSEWHGSSKGK-QFIPXVFZSA-N 418.409 1.776 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)c1 53298346 KUYVFXGQNVDUBB-MRXNPFEDSA-N 411.412 1.933 30 10 HDEE CC(C)N(C[C@H]1CCCCN1CCN)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089534 TYSMGRMYPAWJCH-GOSISDBHSA-N 403.380 1.804 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1)n1cnc(C#N)n1 409462406 AIMCJZUSTXBKGV-GFCCVEGCSA-N 406.368 1.714 30 10 HDEE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)cc2NC1=O 409637214 FVBNQCZHKUMERO-CHWSQXEVSA-N 422.445 1.552 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)ccc1Cl 434791826 FKZWWQDIHDUSGG-IBGZPJMESA-N 403.870 1.569 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCC3CCC(C#N)CC3)cn2)C[C@H](C)O1 441659394 FSYXGPOFHNXPGC-JUVOFCAFSA-N 402.499 1.970 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NCC(=O)NC(C)(C)C)c2c1 441822210 COBSLIFNTQZKME-UHFFFAOYSA-N 400.435 1.533 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460766935 IVSRMIFZAZAAGO-UHFFFAOYSA-N 408.443 1.856 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 461925535 IKNYRFPGSIYPRU-CQSZACIVSA-N 407.883 2.438 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCC(=O)NCCCc3c[nH]nc3C)cc2C1=O 477662698 GIYLWLJHELQTSC-UHFFFAOYSA-N 423.473 1.369 30 10 HDEE N#CC1(NC(=O)c2ccc(CS(N)(=O)=O)cc2)CCN(Cc2ccccc2)CC1 482674103 ONWOXFNUDMKDDM-UHFFFAOYSA-N 412.515 1.763 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489883992 LHWBZKXTMGIOIN-CQSZACIVSA-N 414.553 1.332 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cnn1CC(C)C 499200827 GUEOLMQCONEXPJ-UHFFFAOYSA-N 415.519 1.866 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C4(C#N)CCCCC4)CC3)C2=O)n(C)n1 505846437 SBASGBUNZXKCTF-GOSISDBHSA-N 412.538 1.842 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCO[C@H]2CCCC[C@H]21 506946426 SSPCINSIDSXWDO-CABCVRRESA-N 420.491 1.668 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508748260 QMVOKZFEWCJLIT-CVEARBPZSA-N 417.514 1.586 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 509000310 YAGLNRJKIIIZOE-UHFFFAOYSA-N 414.514 1.426 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 512497332 ZYTPGLRGZVBAIT-ZDUSSCGKSA-N 415.462 1.843 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C)c1=O 512739785 WOFVVJQTJCYRML-UHFFFAOYSA-N 419.510 1.206 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cn1C 540333866 REHATPFTOVURME-UHFFFAOYSA-N 419.482 1.249 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)c1 550046873 OYTGLBSDVMGIPM-JTSKRJEESA-N 406.490 1.960 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)ccc1C#N 558608969 CDXLMSPGPRWLCW-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 558797964 YPBONBQGGMFEGI-MRXNPFEDSA-N 416.503 1.993 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 574665302 BJPGZAIMPVPQJH-UHFFFAOYSA-N 402.392 1.974 30 10 HDEE Cc1ccc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1S(=O)(=O)NCC#N 578089851 IMUOGMSIJXUDPV-UHFFFAOYSA-N 400.416 1.380 30 10 HDEE Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583056553 MLBRMVPPFFKAPX-ZDUSSCGKSA-N 403.508 1.974 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 603800457 WDOYCIKVKOAEAU-KRWDZBQOSA-N 411.527 1.508 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 604177082 KVCAKYIOBIOGGH-UHFFFAOYSA-N 414.428 1.714 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609451978 DCSAURRNJYHEOG-HXUWFJFHSA-N 420.517 1.921 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)N(C)Cc2c(F)cccc2Cl)CC1 627768460 XUYLJQUHKQVHTD-UHFFFAOYSA-N 418.922 1.076 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc(O)n3CC)CC2)cc1 675609790 HCRCOBYRXDGABA-UHFFFAOYSA-N 419.507 1.488 30 10 HDEE C=CCn1c(Cc2ccccc2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 735073304 MLICIKAZOBHGPJ-INIZCTEOSA-N 407.565 1.772 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(C(=O)N2CCOCC2)cc1 742174445 CALCYNSKXSLXPE-UHFFFAOYSA-N 400.460 1.290 30 10 HDEE COc1ccc(CNC(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1C#N 747417676 XFPRXMKMUZFVNY-UHFFFAOYSA-N 415.538 1.993 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 752302282 GAFBOIYYGDGRRE-UHFFFAOYSA-N 417.531 1.767 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccnc(C)n3)CC2)ccc1F 760098887 YLRJETLYHPJOQJ-UHFFFAOYSA-N 419.482 1.351 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 767679183 FIGCCKHIUFNQEE-QGZVFWFLSA-N 408.520 1.806 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 768019651 HGCUDICROFIODP-UHFFFAOYSA-N 409.445 1.464 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 780936958 FGMOLHNUWXJCRM-NRFANRHFSA-N 406.486 1.734 30 10 HDEE N#CC1(NC(=O)COC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CCC1 784244531 WICULCULMCDZEU-HXUWFJFHSA-N 401.419 1.178 30 10 HDEE C#CCOCCNC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 786814147 XWJKQSOOABUWTM-UHFFFAOYSA-N 414.289 1.876 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)n1 788694821 XEJXBXBIPKGEBE-UHFFFAOYSA-N 416.503 1.263 30 10 HDEE C#CCn1ccc(CN(CC)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)n1 789328877 INTLIODJPPMBHK-UHFFFAOYSA-N 423.565 1.909 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(O)c(OC)c1 789968841 QQHVNGCJSDYHFU-UHFFFAOYSA-N 402.480 1.879 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)CCCC(=O)OC)CCCN1C(=O)OC(C)(C)C 791811052 NWRHILKHVRCUNX-SFHVURJKSA-N 418.512 1.731 30 10 HDEE CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 796826142 KEHZUHZXGSYTFG-UHFFFAOYSA-N 422.459 1.638 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1 813654823 WBMLPHXZBFGNMT-CQSZACIVSA-N 419.908 1.328 30 10 HDEE CCc1ccc(C#CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 814396645 DEPNRLQNXYSLPF-UHFFFAOYSA-N 418.540 1.999 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)Cc1ccc(C#N)cc1)CCO2 814397426 CHQMDDQZPPYFIQ-UHFFFAOYSA-N 407.492 1.710 30 10 HDEE Cc1nn(-c2ccccc2)c(COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1C#N 821691653 XHBXXXRSXXKAKF-KTKRTIGZSA-N 405.414 1.206 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@H]1CCS(=O)(=O)C1 918756654 VZLDAIWNUDQMRP-ZDUSSCGKSA-N 407.473 1.180 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)C1 1116540430 QGIDBDWEEFABNU-HXUWFJFHSA-N 416.522 1.834 30 10 HDEE C=CCCn1cc(C(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)nn1 1126462877 ALEOHKIQDASTLH-UHFFFAOYSA-N 401.492 1.842 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1128432514 LYGLXISKQKJNLO-KUHUBIRLSA-N 408.458 1.927 30 10 HDEE CC(=O)N[C@](C)(C(=O)N1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 1130422200 ASXIEYNAQHPDCQ-NRFANRHFSA-N 411.483 1.855 30 10 HDEE C#CCC1(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCOCC1 1133929833 QUJRRBLGSWCRFW-UHFFFAOYSA-N 415.515 1.536 30 10 HDEE N#C[C@@]12CN(C(=O)C3(c4ccc(Br)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1134053089 RQJPTFNNOFCOEP-BBRMVZONSA-N 409.305 1.877 30 10 HDEE CN(C(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)c1ccccc1 1134056367 OTXQOMUPPIRCGO-AVRDEDQJSA-N 423.494 1.974 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cn1 1134279535 OXYGDIOOPHOTQK-UGSOOPFHSA-N 406.464 1.439 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCn3nc(O)c4ccccc4c3=O)CCO2)cc1 1134507123 MHWHGQPPGKAQGN-LJQANCHMSA-N 404.426 1.964 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1134718481 LQGYEJADLCJIJE-HNNXBMFYSA-N 422.503 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCc2ccc(C(=O)NO)cc2)C1 1139232315 IIYHIGNEWBPELD-FQEVSTJZSA-N 407.467 1.574 30 10 HDEE CC1(C)CCCN(C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)[C@H]1C#N 1140097289 LDKXQEPQCVRUEL-AWEZNQCLSA-N 412.899 1.258 30 10 HDEE CCS(=O)(=O)NC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1141645544 GZQGFRUFKSTRGO-UHFFFAOYSA-N 400.298 1.865 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 1143289050 BRBGHVQYALXPHS-NRFANRHFSA-N 421.482 1.765 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 1153261765 BPHZUBUKGQVTFF-UHFFFAOYSA-N 407.264 1.551 30 10 HDEE CCc1ncc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]1 1156537970 GDHZTIPDVLYLNB-UHFFFAOYSA-N 401.492 1.561 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1157911498 XMFRHMLJHVNNSZ-CQSZACIVSA-N 410.562 1.074 30 10 HDEE Cc1c(C(=O)NN2C(=O)c3ccc(Br)cc3C2=O)cnn1CCC#N 1163491855 GPNMBJIWUGAYGX-UHFFFAOYSA-N 402.208 1.809 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 1166936933 FUJCSAXHENOSBP-MNEFBYGVSA-N 413.499 1.914 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@@H]1CCO 1176335799 PZRUZTRPTZWCGR-GJZGRUSLSA-N 411.549 1.358 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)c1 1178394720 PYCLIOOBEKSBHR-LJQANCHMSA-N 414.483 1.759 30 10 HDEE COC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC(CO)C1 1180903726 OQTNLGNESVLITJ-SHUBCUQBSA-N 421.494 1.204 30 10 HDEE N#Cc1cn(C2CN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)C2)c(=O)nc1O 1187052480 HSEOGRYMGLTRTL-UHFFFAOYSA-N 418.328 1.314 30 10 HDEE CCOC(=O)c1nc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1187783910 WBBAFWRDYOHRMN-ZUZCIYMTSA-N 414.281 1.395 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)C[C@H](O)C1 1190945327 GOMUWRWRPJPHRG-CYBMUJFWSA-N 415.899 1.814 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)CC1 1192714986 HYJYJMYPPWZZBM-UHFFFAOYSA-N 413.293 1.483 30 10 HDEE COC(=O)c1cn(C2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)nn1 1211469371 CAZPSKNRCVZCEH-UHFFFAOYSA-N 407.427 1.410 30 10 HDEE C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1213936755 BWJNFKBFWBIMLP-ORAYPTAESA-N 407.492 1.869 30 10 HDEE CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1226623601 PMSXHHXRUBQUKD-YFPWBOGZSA-N 411.911 1.996 30 10 HDEE CC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(OC)c(OC)c1 1228082039 NWINERQLDSXIPF-DOXZYTNZSA-N 407.492 1.735 30 10 HDEE C#CC[C@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1251158381 VZCCENYDFVPEFH-HUUCEWRRSA-N 409.483 1.003 30 10 HDEE C=CC[C@@]1(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1278454957 KFXYOWQKIKZHDO-FQEVSTJZSA-N 404.467 1.618 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286336319 WVKBGLXJIGJIJF-UTKZUKDTSA-N 403.527 1.789 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286346648 BFKIRCXJFVBUNO-KRWDZBQOSA-N 409.556 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1286368141 WGZRGTUQVBYVRV-UHFFFAOYSA-N 423.477 1.633 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H]1COCCO1 1286379346 OEYHLORVBAQXIZ-OAQYLSRUSA-N 424.549 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286405790 LLBAPZTTZLPUDD-LJQANCHMSA-N 422.514 1.314 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1286417148 XGMXWSSGHQROOH-IBGZPJMESA-N 418.501 1.522 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC(=O)NCc1ccco1 1286429038 QKPAONPPZAQLEB-UHFFFAOYSA-N 402.458 1.636 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1)C1CC1 1286732493 UHBJGRRTAHXNBZ-CYBMUJFWSA-N 418.523 1.190 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286789498 SVFXOWZKGBEZTR-MRXNPFEDSA-N 414.485 1.273 30 10 HDEE C=CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286834430 DXKUQNCULVVFIO-FQEVSTJZSA-N 423.583 1.954 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286968060 IUFUCMBVGWFOJX-NNFUDEMPSA-N 423.539 1.114 30 10 HDEE CC(C)Cc1nnc(N2CCS[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287505782 MYJZVRDNFYMOJA-MGPWXQLLSA-N 404.540 1.945 30 10 HDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C1CC1 1288651120 DZQFEGMBPLNPBL-JXXFODFXSA-N 420.583 1.793 30 10 HDEE COCC(=O)NC1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1290976941 MJGKCRFVCFPDHK-UHFFFAOYSA-N 416.327 1.661 30 10 HDEE C[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)S1 1291204978 CGCYFQBSDZDPPC-FRRDWIJNSA-N 424.552 1.731 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1291364924 YWEJUPJJISPJLX-TVTNDZMWSA-N 408.506 1.940 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)C1 1292420729 WPZAOILIOCCKDO-PZLQNSFZSA-N 418.538 1.753 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1294723419 PXJYBIFANZGKDE-JXFKEZNVSA-N 416.478 1.301 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc(-c4ccncc4)n[nH]3)ccc2c1=O 1299447116 VSJCQMWAKCVTSS-UHFFFAOYSA-N 419.470 1.981 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1300322146 QOVAXGMWHFVVJL-MRXNPFEDSA-N 408.462 1.045 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300482861 HQEQBTMMOAIDJF-WMZOPIPTSA-N 402.520 1.989 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1300488336 QXTKRGASQLUIHZ-INIZCTEOSA-N 400.504 1.990 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1300608707 CURGJYRTWJBJSQ-UHFFFAOYSA-N 416.493 1.779 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1300718990 KHMUIZMUDFHFRY-GOSISDBHSA-N 406.490 1.190 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1301478859 QHUUMPPOAFRDOX-GOSISDBHSA-N 424.549 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1301493383 XOSNRJUUHYCRQY-UHFFFAOYSA-N 424.505 1.954 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]3[C@H](C2)[C@@H]3C(=O)OCC)s1 1303654268 PMMGFOIERAGDOI-JKIFEVAISA-N 412.533 1.413 30 10 HDEE C[C@H](C(=O)N1CCC[C@](O)(c2ccc(Br)cc2)C1)n1cnc(C#N)n1 1304264269 MSZUIQCAOBZDST-SJKOYZFVSA-N 404.268 1.983 30 10 HDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cs1 1306037059 TZLWUGUHTDZJJU-NWDGAFQWSA-N 411.557 1.694 30 10 HDEE N#C[C@@]12CN(C[C@@H](O)COc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1308098971 CIRFMJJECZUKFG-LZWOXQAQSA-N 404.410 1.315 30 10 HDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1309542011 GIWMAUBFRNOZHT-OLZOCXBDSA-N 421.397 1.620 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1312666795 WQHSRISZIHFLSS-GOSISDBHSA-N 417.506 1.917 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1313381072 QMRXSGBDKSHLPJ-QHSZWVADSA-N 424.523 1.107 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1316125979 AZNXASJZXXWODR-UHFFFAOYSA-N 406.494 1.367 30 10 HDEE CSCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316456946 HXZODSVPSUKMDR-SJORKVTESA-N 417.583 1.939 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)cc1 1356326820 AZEPDJRGQVIDEQ-GOSISDBHSA-N 413.474 1.851 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1358937615 BJTWJBDPRAJAAJ-UONOGXRCSA-N 410.569 1.322 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc2c[nH]nc2c1)[C@H]1CCS(=O)(=O)C1 1358963380 GXVYMEHPKMLCKL-KRWDZBQOSA-N 412.519 1.586 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1358981674 SUTHWXPGUURCPV-UHFFFAOYSA-N 424.530 1.293 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCOC1 1359019350 SANNIUGJOXFTNQ-IIBYNOLFSA-N 418.469 1.795 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)cc2C)CC1 1359035167 MTNFVOPNAUJFKC-IBGZPJMESA-N 410.497 1.675 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1359132828 GKWJHNGVAIVBCG-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)CC1 1359165428 OLWVAHKTBROVJL-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C=CCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359290350 WXRFAVGUSFGIGL-IBGZPJMESA-N 412.556 1.908 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1359307971 ZGJDDHWUZLFDGX-QAPCUYQASA-N 424.505 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCN(C)C2)C1 1359311906 KTIURMJNYMRZOD-DYESRHJHSA-N 420.558 1.044 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)CC)C1 1359313619 OYKWWXBRVONUSP-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)SC)C1 1359314303 YUASZIZOSILLBK-MGPQQGTHSA-N 403.574 1.421 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1360607486 XUOFJUWUBUXGSR-MJGOQNOKSA-N 402.543 1.880 30 10 HDEE N#C[C@]12CN(C(=O)COc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1439796749 OOESWHBSQBINDP-ZUZCIYMTSA-N 417.256 1.364 30 10 HDEE CC[C@H](C)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1442364848 JQTOUGFEGFQGSV-KSSFIOAISA-N 423.535 1.989 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(-c3ccccn3)c2)s1 1444449591 SRQYZUIAVWDTPL-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(C)(C)C(N)=O)CC2)CC1 1444732774 QHGMRLPHPFDCPY-UHFFFAOYSA-N 406.527 1.045 30 10 HDEE C#C[C@H](NC(=O)CSCC(=O)N1CCOCC1)c1ccc(Br)cc1 1450278043 VSZHUKXPLGRYIL-HNNXBMFYSA-N 411.321 1.832 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1456276398 PVPPMPPTYKGRFE-OTWHNJEPSA-N 414.506 1.905 30 10 HDEE C=C(C)[C@H](NCC(=O)c1c(O)nc(=O)n(CCOC)c1N)c1ccc(F)c(F)c1 1459980688 PYUZVERSGTUHMC-INIZCTEOSA-N 408.405 1.545 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)ccc1Br 1463495959 DIELBCOJVRNCIC-HZPDHXFCSA-N 414.325 1.540 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C2\SCC(=O)N2C)n1 1464712203 NURIZDKWFVKCSS-MLPAPPSSSA-N 408.534 1.785 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H]2CNC(N)=O)cc1B1OC(C)(C)C(C)(C)O1 1464763785 ZSSDMDARUQZVTC-INIZCTEOSA-N 401.316 1.957 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](CS(C)(=O)=O)c3ccccc3)CC2)c1C#N 1466921110 DCJPZUCKNMWNFQ-GOSISDBHSA-N 415.519 1.077 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CCCC1 1468895962 CTYZWQNMYMJGFX-MOPGFXCFSA-N 417.535 1.312 30 10 HDEE C#CC1(O)CN(C(=O)N[C@@H](c2ccc(OC)cc2)c2cccc(S(C)(=O)=O)c2)C1 1469064852 SJYOWJAPGIITDB-IBGZPJMESA-N 414.483 1.578 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccc(CC#N)cc1 1469384468 VJDIWGXMSYJDLN-UHFFFAOYSA-N 402.432 1.711 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCC34COCCN3CCOC4)CC2)c(F)c1 1470675695 AWKWWTGOBUAGOW-UHFFFAOYSA-N 402.470 1.131 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 1471338394 YIHWDEIWJIGGCN-VXKWHMMOSA-N 424.593 1.723 30 10 HDEE N#Cc1c(CCCNC(=O)NCCO[C@@H]2CCOC2)nn(-c2ccc(F)cc2)c1N 1471430377 VJMGHHZISJMUQS-MRXNPFEDSA-N 416.457 1.503 30 10 HDEE N#Cc1cncc(CNC(=O)CCNS(=O)(=O)c2cccc(Br)c2)c1 1471966037 KEKNVIZJOJTBCV-UHFFFAOYSA-N 423.292 1.701 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(C#N)cc2)CC1 1472363980 HFVUPGIEOJHENR-JOCHJYFZSA-N 420.513 1.829 30 10 HDEE C=C(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OC 1472852783 WLAWECJRWOQVOQ-HNNXBMFYSA-N 413.452 1.535 30 10 HDEE N#Cc1ccc([C@@H](C(N)=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1473748411 UDFYFJVKOHRIHG-JTHBVZDNSA-N 404.470 1.588 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c1 1475394519 KMZMYYBTWPFOQZ-RBUKOAKNSA-N 413.499 1.492 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1 1476909195 FMGMRODACMTRGO-UHFFFAOYSA-N 400.501 1.682 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nc(C(F)(F)F)no3)C2=O)cc1 1478567127 GSLRXRJXVPDZNC-GFCCVEGCSA-N 408.340 1.560 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1479455898 SLOBOCRQZIBICF-IHWFROFDSA-N 416.547 1.884 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](F)COC 1502917165 MXILATRJFFXKCT-JKSUJKDBSA-N 419.457 1.969 30 10 HDEE CN(c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1503437029 YVBMHBWEVKKQAD-DEWUXSJSSA-N 418.523 1.598 30 10 HDEE CN(CCCCCO)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1503591021 ANYXQIPYGKIUPF-CQSZACIVSA-N 407.496 1.292 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1507533338 JVSIDSFAQNTLBS-NVXWUHKLSA-N 402.543 1.577 30 10 HDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507568478 RNAWENQCFFPVTD-UHFFFAOYSA-N 416.570 1.261 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507608239 MMRGWIVPTVIQBM-IAGOWNOFSA-N 416.551 1.557 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C)n(C)c1=O 1507618825 RHVKTCMRFTYJHQ-UHFFFAOYSA-N 407.474 1.991 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCCS1 1507668879 DWKUXIRGDHBVFO-VQIMIIECSA-N 406.577 1.929 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507691038 ZMIJFRFLTVKPKT-SJORKVTESA-N 410.526 1.742 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507829889 NRAJDECGFJFBDD-KRWDZBQOSA-N 410.478 1.473 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N2CCOCC2)CCSC1 1507981632 HLKLLBGDUSJPIA-FQEVSTJZSA-N 420.583 1.231 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1508112718 RCNDDUUBTSNLDQ-IAGOWNOFSA-N 417.535 1.946 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1515636006 BUKAOIGDYDBBDJ-JOCHJYFZSA-N 420.521 1.643 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1519497496 MPADQAHJHQKTEE-OALUTQOASA-N 413.478 1.759 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N[C@@H]3CCCC[C@H]32)c(C#N)cn1CCOC 1525335198 FFBLIAUIUKLTEI-ARFHVFGLSA-N 416.478 1.816 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C1CCN(C)CC1 1538519522 GODWZFBUHFJLRA-UHFFFAOYSA-N 403.504 1.409 30 10 HDEE C#CCN(c1nnc(CC)n1CCSCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1539221206 YSQABWSORUYEFC-GFCCVEGCSA-N 410.487 1.763 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539225495 OHSPYNAFPVPKNL-UWJYYQICSA-N 420.579 1.799 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539436009 FXQCNLBFVNSJQD-KKSFZXQISA-N 415.925 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)SC)CC1 1539466774 GKZPAWTZVYIQCY-UHFFFAOYSA-N 420.583 1.524 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCC(OCC(N)=O)CC1 1539524411 CDNCSORUVFSLTG-UHFFFAOYSA-N 419.576 1.768 30 10 HDEE N#Cc1c(F)cc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1F 1540560231 GIMAOKISMCSGIC-UHFFFAOYSA-N 415.425 1.864 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 1540696010 RQASZYMNZJPMPU-UHFFFAOYSA-N 403.446 1.451 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540853278 VRVXLFMHBGZVLW-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1CCOC1 1541923309 XCHUYKQQFAZSSX-HUUCEWRRSA-N 410.544 1.445 30 10 HDEE CCNC(=O)c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)cc1 1547756670 DPBHHCTVSZAEQT-OAHLLOKOSA-N 411.510 1.810 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1554304029 XJEFBGXWDHSATK-QGZVFWFLSA-N 416.507 1.147 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(Br)cnc1C)c1cc[nH]n1 1556713178 KBPIMBOGQMRRPD-UHFFFAOYSA-N 410.228 1.798 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C[C@H]21 1556737602 JVOBVBPTVXTJAU-DIVLEYHQSA-N 403.479 1.651 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21 1557480974 KUGVABIZPCRGGH-YUELXQCFSA-N 416.507 1.554 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCc4c(CC(N)=O)cccc4C3)cc2)c1N 1557917900 PKINLHYWOQGWLU-UHFFFAOYSA-N 400.442 1.552 30 10 HDEE C=CCCC[C@H](NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1558383822 PTDVJIRRDZRCPC-ZBFHGGJFSA-N 411.524 1.994 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1564957890 HGHILGCZWOKKJC-BBWFWOEESA-N 424.542 1.640 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 1565815717 PAFAFDZALATTPL-WOJBJXKFSA-N 406.486 1.746 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)cc1 1583866646 FWPPHYHTQCBDRR-FHWLQOOXSA-N 418.515 1.792 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3Cc4cc(Br)ccc4O3)C[C@H]1CS(=O)(=O)C2 1585139001 PUFMJRZGPUTUCM-PJODQICGSA-N 411.277 1.149 30 10 HDEE N#C[C@]12CN(C(=O)c3c(C(F)(F)F)nc4n3CCCC4)C[C@H]1CS(=O)(=O)C2 1585660577 QGTYGKVSOPBUOS-ZUZCIYMTSA-N 402.398 1.249 30 10 HDEE C#CCN(CC(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)OC(C)(C)C 1588115145 PRGQXMLRCWHTOZ-UHFFFAOYSA-N 420.510 1.618 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2ccn(C)n2)CC1 1588871353 ADLVKEKTPCVUEU-UHFFFAOYSA-N 421.505 1.403 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1 1589097517 RISQVAUHQZEYQA-KRWDZBQOSA-N 418.592 1.521 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1593775643 AKYWUWGBWNOWGH-FTRWYGJKSA-N 407.515 1.297 30 10 HDEE CCO[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCOC1 1595533050 IKNBZIBUULAFBY-AUUYWEPGSA-N 415.469 1.956 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC3(C[C@H](O)CNC3=O)C2)s1 1595700210 UBDAMKAMQPCRAK-NSHDSACASA-N 401.941 1.548 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC)[C@H](C)C1 1595811888 FTVRVLFBJMZTEE-QGZVFWFLSA-N 418.567 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCOC1 1595823934 UAEQAGNCBPVNKD-QGZVFWFLSA-N 422.555 1.213 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CC1 1596610073 LXOUVMSBIYXIMQ-UHFFFAOYSA-N 413.927 1.092 30 10 HDEE COc1cc(OC)c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)[nH]c2c1OC 1598567884 OUHMFZUIBMSDKM-JEOXALJRSA-N 419.459 1.204 30 10 HDEE C#CC1(O)CN(C(=O)CCC(=O)N[C@@H](C)C(=O)c2ccc(Br)cc2)C1 1603216149 GEWRUMFKEDQKQZ-LBPRGKRZSA-N 407.264 1.123 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1611780051 FZFSOMHRRIZUNH-MRXNPFEDSA-N 407.478 1.058 30 10 HDEE N#C[C@]12CN(C(=O)c3c(F)cc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1616335499 CZSFGCGFWXUUOZ-RMLUDKJBSA-N 405.220 1.738 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)c1 1617038391 FGAOFUWILUTIRO-HNNXBMFYSA-N 416.421 1.719 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCOC[C@@H]3C#N)ccc2NC1=O 1617304110 DGOSKBGKMRIAMI-DOTOQJQBSA-N 414.462 1.829 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)cnc3C3CC3)C[C@H]1CS(=O)(=O)C2 1617487929 RTUXESTYXURGHH-ZBEGNZNMSA-N 410.293 1.732 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)COCCO1 1619987904 CQEIGMWVLCVWSY-JXFKEZNVSA-N 407.515 1.938 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 1622151715 FOYDSRDCHWADEH-UHFFFAOYSA-N 412.467 1.804 30 10 HDEE C=C(CO)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1624520072 QPTOJINCQVUYJA-UHFFFAOYSA-N 412.817 1.740 30 10 HDEE C=CCn1cc(CNC(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)nn1 1625984746 VHEYOPYPMRINGN-UHFFFAOYSA-N 404.475 1.852 30 10 HDEE C#C[C@H](NC(=O)[C@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(Br)cc1 1628542861 KTRYYBFMPBPREJ-OWCLPIDISA-N 401.264 1.669 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)c1 1630613929 PQRINBOOJLRQID-KRWDZBQOSA-N 411.439 1.616 30 10 HDEE Cn1cc([C@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1633112002 MRHSPCKBPUVVRT-VEPRFYFGSA-N 403.483 1.357 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(CN4CCOCC4)o3)C2=O)cc1 1634587855 BJVMAIUXZKBGPJ-IBGZPJMESA-N 408.458 1.514 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1F 1634796536 LSOGWRSUIXIYKV-INIZCTEOSA-N 401.373 1.643 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OCC 1635698767 OENWHJUTNQFOSQ-KRWDZBQOSA-N 401.463 1.340 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 1635701478 PTIOPTCTHGAIAT-DOJUMQAQSA-N 408.520 1.633 30 10 HDEE CSCC[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N(C)C 1637028458 WEZQJEADRMWJMR-INIZCTEOSA-N 411.568 1.963 30 10 HDEE C#CCN(C(=O)NC1CN(c2ccncn2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1637875968 ZPOSEBPSHZMRHS-UHFFFAOYSA-N 414.510 1.710 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccc(OC)cc3OC(C)(C)C2)C1=O 1638253604 KZFSUMVOBYQSAU-UHFFFAOYSA-N 401.419 1.172 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1638626240 GODJCUZKLIBJRM-ZDUSSCGKSA-N 402.432 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)NCc3nc(C#N)cs3)CCO2)C1 1638703293 PFNHMARTCCCEMV-SFHVURJKSA-N 407.496 1.936 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)cc1S(=O)(=O)NCC#N 1645744162 YWSFXKTVOSDDTM-SJORKVTESA-N 407.492 1.207 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1647972232 MSCBJGGEIVWJOT-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1648999665 NXOZEBXOOIMMIV-AWEZNQCLSA-N 408.524 1.470 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CC1OCCO1)C(=O)OC 1650736928 USCKDFPHWIRVBT-HNNXBMFYSA-N 401.419 1.472 30 10 HDEE CC[C@@H]1C(=O)NCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1652444258 AHVAZMREEQUWGP-FMPZLKCCSA-N 404.511 1.900 30 10 HDEE C#C[C@H]1COCCN1CC(=O)N(CCCCC)c1c(O)nc(=O)n(CCCC)c1N 1654691046 CBNGXUWCGBTDQJ-INIZCTEOSA-N 419.526 1.188 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1655770886 SABXLSQSOLOJTG-AUSJPIAWSA-N 416.503 1.011 30 10 HDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 1661644060 GWYNATPHJMKICW-UHFFFAOYSA-N 422.283 1.523 30 10 HDEE COC(=O)[C@@H]1CN(S(=O)(=O)N(C)C[C@@H](C)C#N)C[C@H]1c1ccc(F)cc1F 1664575400 CECPDLKBUPCASN-TUKIKUTGSA-N 401.435 1.489 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC)C1CCOCC1 1665155678 DJVJTROAIRCOND-FYCOFBDGSA-N 423.487 1.597 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1665797478 YTUMJSZMPNGTAQ-MQNRADLISA-N 403.526 1.722 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccccc1 1668420402 VEPIVAJHBFIJQK-GOSISDBHSA-N 413.503 1.659 30 10 HDEE Cn1c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc2cc(Cl)ccc21 1672001529 MTJTUNVYTNITFS-APPDUMDISA-N 407.883 1.306 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)c1ccc(Cl)cc1F 1674035694 DHHZWUBAKFRBBQ-OAHLLOKOSA-N 402.879 1.381 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)C1CCOCC1 1676641293 BGJSQTIKCWWDKM-KRWDZBQOSA-N 403.479 1.438 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1681197381 XYGKTAITMALIAO-UAGQMJEPSA-N 407.511 1.694 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1683106645 LBLUBYTTZGHHSW-HXUWFJFHSA-N 400.523 1.360 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)nc1 1687213408 CVAUCOMKSBQDNG-FUHWJXTLSA-N 412.494 1.319 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1690019914 UVEPCWYHNSEMQD-IBGZPJMESA-N 405.458 1.390 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1690067612 DJIOEMZOKCDDNQ-QGZVFWFLSA-N 417.535 1.837 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cc(C)no1 1690105053 QVAJJIZSKCVPKW-UHFFFAOYSA-N 405.462 1.947 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCCNS(=O)(=O)CC)CC1 1690408303 DDCWAGYYGRGCMO-UHFFFAOYSA-N 405.528 1.467 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690470604 GWGSVMZJXKDYOA-HNNXBMFYSA-N 418.523 1.905 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1690995456 JKFZTNROWXTBHG-LLVKDONJSA-N 418.303 1.819 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCSCC(F)(F)F 1692543682 KONXALUBVGDFOA-LLVKDONJSA-N 406.434 1.441 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O)N1CCOCC1 1692695357 BMWVREUNYHACGJ-HOTGVXAUSA-N 411.510 1.238 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1693981357 GFEIPBKRRKFCOC-LSDHHAIUSA-N 414.601 1.909 30 10 HDEE Cn1nnc(Cn2c(N3CCCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)n1 1696886429 GLZDLSBIUAFDEI-UHFFFAOYSA-N 420.525 1.736 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC[C@H]1C 1697694972 MMGDFPOMHOLXMD-CRAIPNDOSA-N 422.493 1.767 30 10 HDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1698003750 GBFHGNNDUKOAHN-UHFFFAOYSA-N 424.509 1.030 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C[C@@H]1C 1698087542 FYCFGPQCKLRDOT-QFBILLFUSA-N 416.501 1.958 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(O)CC2)CCO1 1698492269 ASUUQYHAQFZSEH-MSOLQXFVSA-N 404.515 1.095 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1705497922 KHFGUHTZXJXPJE-DOTOQJQBSA-N 402.524 1.146 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1705505057 GLLJSSPRPOHPCB-KFWWJZLASA-N 414.514 1.684 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705565008 FGRCVLPNBVROAY-QGZVFWFLSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H]1C(C)C 1705574172 WWHORKSENMTMNC-YESZJQIVSA-N 407.540 1.022 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC(C)C)CC1 1705652569 FHDZKRAMZGQKSJ-QGZVFWFLSA-N 416.526 1.010 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1705687362 CSKRKMLSJBAAII-GFCCVEGCSA-N 405.318 1.316 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705694489 RNKIWMNDCRTJOW-DLBZAZTESA-N 411.572 1.854 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C)C1 1705695527 BREIUGWVCFZBLD-QXSJWSMHSA-N 413.544 1.095 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705734650 WOPJLJGGXJMTMF-UHFFFAOYSA-N 422.555 1.726 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CC1 1705884284 KQDINOPWHIUUQL-CQSZACIVSA-N 400.570 1.715 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H]1C 1708234267 KWMMFPNJKPLDKN-IYBDPMFKSA-N 407.482 1.898 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNS(=O)(=O)CC 1708531649 FROYCVGGQKKHGM-DOTOQJQBSA-N 423.587 1.298 30 10 HDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1710805175 LOSCORPIRSUAOL-MJGOQNOKSA-N 424.505 1.870 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CCO1 1712287333 GJEXUXHVPNMLTM-SFHVURJKSA-N 412.494 1.537 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCc2nccn2C1 1712451895 JJGPHIZHCZAGQY-MRXNPFEDSA-N 414.514 1.242 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)n(-c3ccccc3)c2C)n1Cc1nnn(C)n1 1722344838 TVHYCXNOHPHYLG-UHFFFAOYSA-N 401.478 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(C)cn1 1722386823 MJMKJSIUBXELIU-UHFFFAOYSA-N 407.503 1.548 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1722421286 KMUHZVYMGSIWPB-SFTDATJTSA-N 422.526 1.210 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1722459249 GSXQLHPVUOODBS-JKSUJKDBSA-N 411.597 1.077 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1722510056 RLSPBGNDLPDARW-ULQDDVLXSA-N 412.556 1.634 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1722608787 LWZWKSYTIIRDBN-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1722675962 VLSFRTVQUABGOK-HXUWFJFHSA-N 422.551 1.953 30 10 HDEE CCNC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1728676271 MFTBKNPSIPBUKB-QGZVFWFLSA-N 413.482 1.884 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1conc1COC 1730846343 ZQIMPSRCJFVRCT-FZKQIMNGSA-N 408.434 1.627 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1740577227 WHHFBZRCECZZFO-UHFFFAOYSA-N 400.527 1.557 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740578597 JKKSABOLKXTNLS-UWJYYQICSA-N 403.527 1.826 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740625503 OFIRUQJNXNINLK-SFHVURJKSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@@H]1OC 1740644298 AHLWWFKOFZHFOW-VJANTYMQSA-N 402.495 1.126 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccn2)CC1 1740767166 MZEDGZPHBXQOCI-PKOBYXMFSA-N 413.526 1.912 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNS(C)(=O)=O)CC1 1740818819 VUCSHKWUIBAVMH-UHFFFAOYSA-N 419.511 1.021 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1741123900 BUJYUPOADCUXGK-WCQYABFASA-N 420.315 1.921 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)C1CCC1 1748771761 NXCFLQYBBCEVPT-NRFANRHFSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1748794394 VGRSEGRFSMVPRE-UHFFFAOYSA-N 401.898 1.841 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cn[nH]c1 1748925482 ITMRURFXJLIRRK-UHFFFAOYSA-N 405.510 1.877 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1 1748951064 SCNFERMXBPIWLB-INIZCTEOSA-N 405.524 1.331 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)SC)CC1 1749011055 ZBSDEFALLNCACD-OAHLLOKOSA-N 418.567 1.337 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749032904 UMBRCKHYTXVNCQ-INIZCTEOSA-N 414.535 1.876 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1749037070 AUFZNEYBRMZRGK-QGZVFWFLSA-N 421.567 1.618 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1749235335 COZPSDAQUGEBAM-CBGDNZLLSA-N 416.526 1.582 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1C 1749659805 JRYKZQBWGQBDBA-UHFFFAOYSA-N 404.478 1.797 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NC)c2)C1 1749705846 KSQRBLOOMFDPIB-IBGZPJMESA-N 421.505 1.868 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCc2ccco2)C1 1749707033 TZPVJFPYAJHZRO-KRWDZBQOSA-N 411.466 1.369 30 10 HDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1750550076 FCKSMJQHLBYRIE-GOSISDBHSA-N 423.521 1.646 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1750883530 RTVJGPZVWGNPFD-JOCHJYFZSA-N 407.522 1.873 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)n1 1751848488 JSJWRHHTPMYUFM-HXUWFJFHSA-N 401.515 1.669 30 10 HDEE C[C@@H]1C[C@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1752013088 CPSVRUAOAPZRGD-ZACQAIPSSA-N 402.499 1.448 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1752416428 DZGRGBQPWVNIPO-OAHLLOKOSA-N 410.478 1.480 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1760098500 SXPSBPYNYUNIBZ-ZIAGYGMSSA-N 415.585 1.258 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1760098773 WVCGCTGVLSUMDR-HUUCEWRRSA-N 423.514 1.907 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)c2ccccc2)CC1 1760252923 XZNRMSRGRNVOMP-FQEVSTJZSA-N 422.533 1.657 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1OCCC1(C)C 1761473428 PVVHAIFLQRANCL-HOCLYGCPSA-N 424.571 1.833 30 10 HDEE CC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1763351247 DRQZJENDHOEYIM-YUMLTWSLSA-N 414.510 1.935 30 10 HDEE CCc1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764920623 MKZWLSPQGHHHIC-VXPUYCOJSA-N 413.526 1.432 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC 1766408542 FWYOQFHSTCDTGA-HNNXBMFYSA-N 400.487 1.228 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1766877646 BLFPZEDCXGCWQE-QGZVFWFLSA-N 412.494 1.680 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1767938711 SRLYXQROOYQZPB-HZPDHXFCSA-N 404.471 1.337 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1770862218 WCSGGJAUHNRAKO-JOCHJYFZSA-N 408.506 1.666 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2 1851171370 MBSZLWTZLUQALY-UHFFFAOYSA-N 421.862 1.795 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@@H]2CCn3cnnc3C2)cc1 1851516541 XKCJXOTWQIMNCD-MJGOQNOKSA-N 411.462 1.035 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)c2nnn(-c3ccc(C)cc3)c2C)CC1 1853498951 PGQJUXHKGUBSQN-UHFFFAOYSA-N 411.510 1.451 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2sc(C)nc2C)C1=O)[C@@H]1CCN(C)C1=O 1853682623 NYXVVBQAULTWNV-JKSUJKDBSA-N 404.536 1.539 30 10 HDEE COc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)cc1OC 1853878616 RGXMVTFCZINPQT-UHFFFAOYSA-N 407.426 1.743 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCCOC3)C3(CCCCC3)C2=O)CC1=O 1854006792 AADDRSLPZVWCHT-MOPGFXCFSA-N 417.550 1.821 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(C[C@@H]2CN(C(C)=O)CCO2)C2(CCCC2)C1=O 1854211355 VCYBSOFFWZGKTA-HKUYNNGSSA-N 405.539 1.820 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(OCC)nc2)C1=O 1854303167 VZSFSTNPAHIUNX-QZTJIDSGSA-N 414.506 1.720 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC(C(=O)N4CCCC4)C3)CCC2=O)cc1C#N 1854866440 CMLNEFBLKKTFRR-QGZVFWFLSA-N 408.502 1.800 30 10 HDEE COc1cccc(OCC(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1 1854941953 VJTCMPXRVRZHCR-ROUUACIJSA-N 414.506 1.511 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)Cn3c(=O)oc4ccccc43)C1=O)CC2 1855176106 FZTMQCSPYFIUJT-NVXWUHKLSA-N 408.458 1.738 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)C4CC4)C3)CC2)cc1 1855634927 YKNPOCAPCUKMFU-QGZVFWFLSA-N 401.488 1.744 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1855980620 GFXBCWYAGLWVFW-UHFFFAOYSA-N 403.382 1.622 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCN(c3cc(-n4cccc4)ncn3)CC2)C1=O 1856033806 DSCPDNBSQYUPMD-KRWDZBQOSA-N 407.478 1.211 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)CC1=O 1856308238 HKMUIJQTUKXYMO-ZDUSSCGKSA-N 419.507 1.239 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(Br)ccn3)C(=O)C2)C1 1856872040 JZCDXPKBNQJARO-OAHLLOKOSA-N 407.312 1.779 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C1=O 1857150576 QMAUYFPWKQRQDI-DOMZBBRYSA-N 404.421 1.032 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3ncccc3c2)C1)[C@H]1CCN(C)C1=O 1857264189 MHVCMXRGWLGVJE-UZLBHIALSA-N 406.486 1.942 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(OC)cc2)cc1 1858640056 QUUVOIHJFHWWRL-UHFFFAOYSA-N 403.460 1.799 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1 1860735866 LRXKLGRLHNOAIT-JXMROGBWSA-N 403.416 1.183 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861272309 RJCWLNOIZBBVHJ-WMZOPIPTSA-N 415.877 1.428 30 10 HDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSCCO 1870233053 VINKNQRUFHGYMR-UHFFFAOYSA-N 401.488 1.661 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N(CCOC)CCOC)ncnc21 1873593233 JZAVVYGBFWKNNT-UHFFFAOYSA-N 418.542 1.398 30 10 HDEE Cc1ccc(O)c(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874341895 VDCCWZALTCDWLU-VYXQJKENSA-N 403.508 1.983 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1c[nH]c2ccccc12 1874432740 VBXWERMADAYDHZ-AUEPDCJTSA-N 413.507 1.896 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccn(CC(F)F)c2=O)CC1 1891215930 AKWYCJTYRLAWFH-UHFFFAOYSA-N 403.389 1.706 30 10 HDEE C#CC[C@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 1984835940 ORPAIOZXAVVBOO-JTSKRJEESA-N 415.490 1.749 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1 2174781859 JTDFIEGRWACFDV-KKUMJFAQSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174785206 WJZYLNFVHAKTEW-ZQIUZPCESA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC[C@H](C#N)C1)CC(F)(F)F 2174787177 REYJTNQPHNPXKW-NEPJUHHUSA-N 414.450 1.902 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180095691 VPAHVHBSFPLOCE-CABCVRRESA-N 400.541 1.965 30 10 HDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247807216 VIHSJTBVJNUSMC-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE N#CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258158422 LHDHLSATKYAKDT-NEPJUHHUSA-N 423.369 1.130 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267376129 RAMZOAWVHPHJJY-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC(F)(F)F)OC1(C)C 2267708781 QBZPCUDATFJYJF-UHFFFAOYSA-N 400.253 1.814 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2281821748 FVEPUDNIDUETTQ-JTQLQIEISA-N 402.709 1.046 30 10 HDEE Cc1cc(C(=O)NCC(C)(C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282016575 ZLLOWFIWKPEMCW-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C(CO)[C@@H]4C3)cc2Cl)OC1(C)C 2282305331 XFDPUUIFXSDDAE-NXEZZACHSA-N 419.761 1.560 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2282317300 PEEXTRYPTVKPNL-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE Cc1nc(=NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n(C)[nH]1 2282318519 GYRAHPXRLVIOEN-UHFFFAOYSA-N 418.737 1.360 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCN[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282319152 PECOHEPZOKXVCS-STQMWFEESA-N 400.375 1.775 30 10 HDEE C[C@H]1CNCC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282340417 FTNPKAWSIULANM-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282417073 FGSGGKSIKILYAP-ZDUSSCGKSA-N 401.359 1.810 30 10 HDEE Cc1cnc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282648822 SNTVSMBIQRDUCK-HNNXBMFYSA-N 402.300 1.914 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CCO)CC3)c(Cl)c2)OC1(C)C 2282824340 ALEZFBCBBLKTHL-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3[C@H]4CN[C@H]3C4)cc2Cl)OC1(C)C 2282827370 YNYJNIPPWDOMMG-FOGDFJRCSA-N 418.777 1.587 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2282828017 HOPDYEDBLPUTCC-RUZDIDTESA-N 401.359 1.341 30 10 HDEE C[C@H](CO)CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836855 PXOVFMFWGTYXII-LBPRGKRZSA-N 404.363 1.270 30 10 HDEE CC1(C)CNCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848740 RDZPUZVICRGGDB-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE COC[C@@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282865979 BHLOOBFXACHCKR-GFCCVEGCSA-N 405.347 1.377 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284396659 DYVOTXWUMVMLAF-LLVKDONJSA-N 401.315 1.451 30 10 HDEE C=C(CS(=O)(=O)N1CCSC(C)(C)[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284397456 MFTJOXMBGXPMNV-GFCCVEGCSA-N 405.347 1.784 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CC(=O)O)C(F)F)s2)OC1(C)C 2284403366 PGRAMNAXCGUAFW-MRVPVSSYSA-N 411.257 1.434 30 10 HDEE CCN(C(C)(C)C(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284405408 KITMLGZBPZRTJU-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@H](C(=O)O)C3)cc2Cl)OC1(C)C 2284408919 CEWFTNMGIOUJIB-DTORHVGOSA-N 421.733 1.842 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC(F)(F)C(=O)O)OC1(C)C 2284413007 ZYAACXGZFCHJPJ-UHFFFAOYSA-N 411.257 1.187 30 10 HDEE CC(Cl)=CCn1c(NN=Cc2ccccc2O)nc2c1c(=O)n(C)c(=O)n2C 2296930568 XPWCVNPKXNPAAT-UHFFFAOYSA-N 402.842 1.728 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300226145 QJINBDDECKAZPV-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE COC1([C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC(C)(C)S(C)(=O)=O)CCCC1 2365200480 YTFYOFNTHLUEEL-CABCVRRESA-N 402.557 1.993 30 10 HDEE CN(C)S(=O)(=O)CCCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2367625996 NMZWRDLMMTVUBR-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CN(C)S(=O)(=O)CCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2367629106 YUETXHKFVOHXKT-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2367808974 IORHUTJHMCSPKG-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2367816281 HHXYYAOTHPMFDS-JKSUJKDBSA-N 402.557 1.553 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@H](CC)NC(=O)OC(C)(C)C 2367824853 NMYJZBWJKAVDOH-IIDMSEBBSA-N 402.557 1.599 30 10 HDEE CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)Nc3n[nH]c(CC#N)c3C#N)cc21 71538583 DMFRIFYSZAWIOC-JTQLQIEISA-N 400.420 1.282 30 10 HDEE CCCCCCCn1c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)nc2ccccc21 256022174 LENMHLSEYMSDHU-BCYZHJNNSA-N 410.536 1.899 30 10 HDEE COc1ncc(S(=O)(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)s1 404909155 BASXXNLTULMRHU-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)c1 430215532 COXSIMGGJIJFNO-CQSZACIVSA-N 408.405 1.421 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)ccc1Cl 433439624 LSCJNSOTCMBEKC-ZDUSSCGKSA-N 403.913 1.400 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC(C)(C)OC4(CCCC4)C3)CC2)o1 443317628 IGPHXUGBZCARAE-UHFFFAOYSA-N 401.511 1.927 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 482312725 HQHMCEPPYNENFX-DYVFJYSZSA-N 403.508 1.862 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)CC1 488912930 BSLXRJSJMJFEPH-UHFFFAOYSA-N 409.405 1.453 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3F)CC2)cc1C#N 489235857 CBNRWUGRPLPMJX-UHFFFAOYSA-N 406.414 1.687 30 10 HDEE C=CCCO[C@H](C)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 505840012 OBEXYXZGEUJPPE-QZTJIDSGSA-N 403.527 1.349 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)c1 506614112 UJZFRJIQINSUDD-UHFFFAOYSA-N 420.444 1.617 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 520192484 DIGJXDPGTYUVII-UHFFFAOYSA-N 406.335 1.743 30 10 HDEE N#CCc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 535337558 XWHZAZMUDNQRMZ-UHFFFAOYSA-N 405.501 1.765 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(F)F)CC2)CC1 538264614 NOTSBGOSQYADOZ-GOSISDBHSA-N 409.456 1.417 30 10 HDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 555286176 XHCXCCSIUQYUFX-UHFFFAOYSA-N 421.509 1.089 30 10 HDEE COc1cc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)ccc1C#N 555407762 NWFRRIRZHSJMKM-GOSISDBHSA-N 422.533 1.503 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)n1cnc(C#N)n1 557795340 IAXSHAOIPIXWKS-AWEZNQCLSA-N 402.480 1.914 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H](c2cccs2)N2CCOCC2)c(F)c1 585683883 OQURLRLWLRSKGD-QGZVFWFLSA-N 416.478 1.565 30 10 HDEE O=C(NCC#Cc1cccc(C(F)(F)F)c1)NCCCN1CCCS1(=O)=O 587116843 GZWLRPKCJUGSBA-UHFFFAOYSA-N 403.426 1.782 30 10 HDEE CN1CCC[C@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1c1cccs1 588128947 UOLPZFYSNLSOHV-CRAIPNDOSA-N 403.552 1.351 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c(C)c1 608981337 HGRUPAVZMBDUFM-UHFFFAOYSA-N 414.487 1.996 30 10 HDEE C[C@H](Oc1cccnc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609783458 FSMSHZFCPQVAGV-HNNXBMFYSA-N 400.460 1.254 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 610594644 SSMMOSCBNSTYGU-UHFFFAOYSA-N 414.510 1.249 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCC2CCC(C#N)CC2)cc1 619674623 LCHHHFMQAFJLGD-UHFFFAOYSA-N 407.492 1.588 30 10 HDEE CCn1c(=O)c(C(=O)CN2CCC[C@](C)(C#N)C2)c(N)n(Cc2ccccc2)c1=O 680104715 NVPWGZYSUCWUGF-JOCHJYFZSA-N 409.490 1.469 30 10 HDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccoc2)c1=O 727416142 HBAAFPWHQQQUBI-UHFFFAOYSA-N 423.494 1.320 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 727988375 CGVKFCMKUWSEGW-VHAMKEJYSA-N 424.548 1.749 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1)[C@@H]1CCS(=O)(=O)C1 729334318 MDRCMIQQKKZQDB-ZWKOTPCHSA-N 402.516 1.614 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn3ccccc23)c1=O 729670281 PTSBHTPEATYVNT-UHFFFAOYSA-N 409.515 1.387 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)C1(S(=O)(=O)c2ccccc2)CC1 731410687 ROLKDDSMBADPQS-UHFFFAOYSA-N 404.469 1.511 30 10 HDEE CN1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCC1=O 738908266 YXEBDZWLDMOQEB-HDOZFUISSA-N 407.496 1.242 30 10 HDEE COC(=O)[C@H](OC(=O)CS(=O)(=O)NC1CCC(C)CC1)c1ccc(C#N)cc1 740248133 YPSRZURRCIVRRX-PVCYVWKFSA-N 408.476 1.814 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 742392764 QLERWRJLAWJGSF-UHFFFAOYSA-N 418.450 1.072 30 10 HDEE Cc1cccc(N=C2NC(=O)[C@@H](CC(=O)Nc3cccc(S(N)(=O)=O)c3)S2)c1 743277387 OOAFZONXOYQZKO-OAHLLOKOSA-N 418.500 1.890 30 10 HDEE N#CCn1cc(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)cn1 747433553 HTWMZQXSVRBZKU-UHFFFAOYSA-N 404.224 1.923 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)C(=O)C2)c1 748936906 LMCIYLGJGYPKFL-HEHNFIMWSA-N 419.507 1.338 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 751728726 IQMPCJCQUKZRPJ-UHFFFAOYSA-N 416.459 1.477 30 10 HDEE C#CCN(CC#C)C(=O)CCc1nc2c(c(O)nc(=O)n2CCCC)n1CC(C)C 752150751 LPCFKGFMCLYGCQ-UHFFFAOYSA-N 411.506 1.782 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cccn(Cc2ccccc2)c1=O 755855372 BDWAYWWCKUTSQK-VHEBQXMUSA-N 407.430 1.545 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 758078874 RMRKIBYAQQLPBD-UHFFFAOYSA-N 408.527 1.274 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 758645105 PFLNHCFXDVKNHM-CABCVRRESA-N 423.491 1.819 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cc2C)n1 764611376 ALHPISYPEDXYDJ-UHFFFAOYSA-N 410.459 1.719 30 10 HDEE COc1ccc(CNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)cc1C#N 767847034 JYYHJTKAOMSNPM-UHFFFAOYSA-N 401.488 1.832 30 10 HDEE COc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1OC(C)C 768164279 DVVJIYMINKQGOJ-ZCXUNETKSA-N 416.434 1.064 30 10 HDEE COc1ccc(CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc1C#N 768481900 QKNGAQDNPLXCID-SFHVURJKSA-N 418.494 1.849 30 10 HDEE C=C(COC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C(=O)OCC 770584765 NLFUNUAIVNCYNR-GOSISDBHSA-N 412.801 1.909 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)cc1CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 774047342 RVZVWDANPXOPEG-CQSZACIVSA-N 402.469 1.025 30 10 HDEE C#CCN(C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 774179433 OGLDLYGBMNBQSU-WBVHZDCISA-N 421.519 1.094 30 10 HDEE C#CCN(C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 776899458 GBTBBUBDFCPPRV-FXAWDEMLSA-N 422.478 1.386 30 10 HDEE COC(=O)C(=O)[C@@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 778298144 KHJBMWDJLDEEBX-LLVKDONJSA-N 401.375 1.696 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 781050395 XKUKCFGXMMNWOT-APFMSCDFSA-N 424.436 1.432 30 10 HDEE CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 781517384 DFSBTVAICMEVQW-LBPRGKRZSA-N 406.389 1.279 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 785347713 GQYNJPQRAOHKKS-UHFFFAOYSA-N 400.460 1.072 30 10 HDEE COCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCOC1 785708489 BTVZCLSKWMTIGH-AXNLMSORSA-N 424.523 1.769 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1 797695020 JGBZJLZFFOMHRL-GQIGUUNPSA-N 406.504 1.397 30 10 HDEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 799035016 QRFLJOLCHPCZAZ-RAJOGRCSSA-N 419.865 1.847 30 10 HDEE C[C@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 799859303 OOUYQKNJEWJJEB-ABAIWWIYSA-N 424.473 1.900 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2C)n1 801287193 LKMQNODUALQIQR-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE C#CCOCCNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 810674773 JGLURIWMPURCHG-GMSFPVLESA-N 404.466 1.232 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)OCc1ccccc1 814286339 HVNWMNYMZJWVOM-SJCJKPOMSA-N 408.863 1.983 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)C2)nc1 856685780 AEIHIGWLVZDGPK-QGZVFWFLSA-N 411.462 1.330 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nc1 858064930 PAFVAUZADRMPKE-KRWDZBQOSA-N 414.487 1.876 30 10 HDEE CCCCN(C(=O)COC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914595282 XOQPZSXCWNEGKH-RDJZCZTQSA-N 422.503 1.685 30 10 HDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=C(C)c2ccc([N+](=O)[O-])cc2)n1 1083934760 BATQKYCSTUMZHU-UHFFFAOYSA-N 407.412 1.914 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3O)n2)s1 1083980140 RJAGLHKTWJAHNQ-UHFFFAOYSA-N 420.480 1.807 30 10 HDEE C[C@]1(c2cccc(CNC(=O)NCc3ccc(OCC#N)cc3)c2)NC(=O)NC1=O 1115970389 BVKCSLOGPJVXAW-OAQYLSRUSA-N 407.430 1.643 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1 1116854034 XNTHLPAPZSMUDW-UHFFFAOYSA-N 402.476 1.238 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@]2(O)CCCN(C)C2)n1 1136554025 BEBUIYCCKDFSLK-QGZVFWFLSA-N 408.553 1.585 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2n[nH]cc2Br)c1 1136704295 QXPDIIXLGDDLCC-UHFFFAOYSA-N 401.217 1.539 30 10 HDEE COCCN(CC(=O)OC)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136769686 VKLCYHSXGDNEQI-RDYUPDBUSA-N 409.483 1.421 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CC(=O)NCCNc2ccc(C#N)cn2)C1 1141486994 LYDCQPGCJOQOGN-FQEVSTJZSA-N 403.483 1.633 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@@H](C(C)C)C1 1148127355 BBXOOWCIRLXMHD-DLBZAZTESA-N 406.552 1.740 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CCOCC1 1148194245 KIAYRJUYSHEYST-HNNXBMFYSA-N 420.409 1.408 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)nc1=N 1155197233 JPDNLQHKNFVSFV-HNNXBMFYSA-N 402.499 1.542 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1160841464 ROAQXCMLLKPUES-QGZVFWFLSA-N 406.531 1.974 30 10 HDEE C=C(CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1161803013 CAWWYNYZPFGESH-AWEZNQCLSA-N 421.441 1.700 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ncccc3[N+](=O)[O-])CC2)c1 1170892002 OVNGSWNIDFVBRR-UHFFFAOYSA-N 408.418 1.441 30 10 HDEE C[C@@H](OCCCNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1176421697 HDXLSVRHEGZZIP-KPFFTGBYSA-N 405.520 1.141 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)C1 1177754590 KBMNKTRHFVRHLT-MRXNPFEDSA-N 407.536 1.599 30 10 HDEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1195294878 BHLWVTSHMBVRTI-APWZRJJASA-N 410.561 1.611 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1197929301 GJODOBPIGUTFCQ-OAHLLOKOSA-N 407.492 1.593 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 1211981752 LZDOSZNBLUZRQF-SWLSCSKDSA-N 420.350 1.868 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)C1CCOCC1 1215452671 UJROGSYUXJZBCF-INIZCTEOSA-N 409.508 1.886 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3nc(C(F)(F)F)no3)C2=O)cc1 1226110498 FJWFLOBHBUVSGG-GFCCVEGCSA-N 408.340 1.955 30 10 HDEE C=C(C)CONC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1252548948 LJGIJUIOICRKDG-ZNMIVQPWSA-N 410.471 1.718 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 1265243802 GPDOJDLALWMYBL-MRXNPFEDSA-N 409.508 1.889 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1 1266524798 CSOBOSLXZNUMFS-CYBMUJFWSA-N 402.266 1.248 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCCNS(=O)(=O)CC 1286297103 VBXFZZJHVOWSPQ-OAHLLOKOSA-N 407.515 1.795 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1286389441 KDEXIDHZKHAUTA-CQSZACIVSA-N 419.507 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](COC)OC 1286400561 IFCZRBFRJQBNOY-OAHLLOKOSA-N 420.311 1.780 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccc(F)cc1 1286464621 CNIAJYPGCBZQLJ-UWJYYQICSA-N 415.469 1.362 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(COC)CCOCC2)CC1 1286481909 KGDYVCYCJHYRJQ-UHFFFAOYSA-N 424.549 1.462 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286508301 QBLHFZFWRYQVRJ-LJQANCHMSA-N 418.592 1.963 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1286711061 HTTSHKKDOAKXSI-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1286731250 FNRQGHDVVRGBIS-AWEZNQCLSA-N 424.465 1.068 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N2CCCC2=O)CC1 1286789585 UWIIGBFVIWPJPK-UHFFFAOYSA-N 423.521 1.157 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1286827822 CCZCLOCRQFCQHB-UHFFFAOYSA-N 419.555 1.329 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1286959519 HBBFLMKSWAFVOZ-VXGBXAGGSA-N 412.466 1.811 30 10 HDEE CC(C)c1nnc(N(CCO)Cc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1287187273 UVHFPZRFQZZWDW-VZCXRCSSSA-N 424.505 1.927 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1288304990 JYLVFJGWUWMVFJ-DYESRHJHSA-N 416.526 1.727 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@@H]2CCS(=O)(=O)C2)s1 1290603134 FVTUVZRKHBQDCL-CYBMUJFWSA-N 420.578 1.181 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc21 1295143994 FLGGIINIOWLCJI-UHFFFAOYSA-N 410.482 1.185 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1298098789 HHMCLQKEGZEOLB-AWEZNQCLSA-N 406.483 1.552 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1299135274 XOVHXXLLEMBUFC-ZWKOTPCHSA-N 408.462 1.113 30 10 HDEE C[C@@H](CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1299227311 GBGXNWLBWYQQBI-UONOGXRCSA-N 409.508 1.661 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@](C)(O)CC)c1 1300333909 FWEZVTHXJTXOOW-HTAPYJJXSA-N 411.506 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300570404 NIKNLBXIVNAFSE-GOSISDBHSA-N 406.490 1.298 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2nncn2-c2ccccc2)CC1 1300710078 RDACQAZMCIQSPB-UHFFFAOYSA-N 406.494 1.199 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCOCC2)CC1 1301108201 OUTWUOWCBWNDHM-UHFFFAOYSA-N 404.559 1.930 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1301259911 QMEXSTYRKUEKRT-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1301374586 BXIUKQWJKGFTDM-KRWDZBQOSA-N 405.462 1.983 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301467054 BNIKGBAKYRZPDX-UHFFFAOYSA-N 403.556 1.590 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1301508477 MSHSAKMLOYXDJE-UHFFFAOYSA-N 402.543 1.618 30 10 HDEE C[S@@](=O)(=NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 1303910433 XCSJCPMEFPZGMA-SANMLTNESA-N 409.464 1.938 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1(C)C 1304270782 IOGRXOWXCIDKMZ-WFTHSTBKSA-N 411.524 1.323 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)[nH]n1 1304853852 VKVHKJOSYJDWCV-UHFFFAOYSA-N 416.459 1.513 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1309844806 UKNFMONQGRKXIA-LBPRGKRZSA-N 400.273 1.836 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1)[C@H]1CCS(=O)(=O)C1 1313180247 ZHLACUGGRIPUDU-PMACEKPBSA-N 419.547 1.028 30 10 HDEE C#CCN(C(=O)c1nc(CCC)n(-c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1 1352905326 OSUXXWBHVMOISX-CQSZACIVSA-N 404.467 1.621 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC2=O)cn1 1355540395 KSDFEWBKTISCMG-LSDHHAIUSA-N 416.482 1.135 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)C(C)(C)C 1358976583 JKLNEYFBCFNBLF-LJAQVGFWSA-N 415.519 1.626 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1 1359024553 PKOOTWROCRTUAX-QGZVFWFLSA-N 412.494 1.797 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 1359036786 JFNZECHDGXTXJB-JOCHJYFZSA-N 422.577 1.887 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1359237153 MYLVPTCHSJFWOX-FQEVSTJZSA-N 407.522 1.916 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H](C)C#N 1359293658 WHXKXQFTMGTCFD-NSHDSACASA-N 406.288 1.934 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)c3cnn(CCC#N)c3C)cc2)CC1 1360005155 CXLAVZKWEAVPLH-UHFFFAOYSA-N 410.478 1.653 30 10 HDEE Cn1nc2c(c1C(=O)NC1CCN(c3ccccc3C#N)CC1)CS(=O)(=O)CC2 1438205373 GRXXUMYVIHUHMM-UHFFFAOYSA-N 413.503 1.161 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(N2C(=O)CCC2=O)c1 1440119490 UPZKMGSJSCRVJX-UHFFFAOYSA-N 412.427 1.017 30 10 HDEE Cc1ccc(C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1443425904 JMKVOMIZFISLRH-KRWDZBQOSA-N 415.387 1.908 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1447478851 DOGCZWOUFREVGT-JSGCOSHPSA-N 419.482 1.864 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1447977430 DPRWUIUNDCZEEV-MRXNPFEDSA-N 415.494 1.879 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 1455114181 AXXVQEGNJDLEIX-QGZVFWFLSA-N 407.536 1.498 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CCCC1 1468895963 CTYZWQNMYMJGFX-OALUTQOASA-N 417.535 1.312 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1 1469762734 QDYARMPWKINMBN-ZWKOTPCHSA-N 411.462 1.584 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1469816082 ZHJJBGOSHFIYSZ-CJNGLKHVSA-N 423.307 1.807 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1cccc(F)c1)c1cc[nH]n1 1470146493 JCGXYJATGFAUGM-INIZCTEOSA-N 404.398 1.433 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nnnn1C1CC1 1471259146 KHZJXOYOSSPXCO-URXDEUHMSA-N 415.498 1.972 30 10 HDEE N#CCC1(O)CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)C1 1475208999 BRJQSBTYBUVXPK-SJORKVTESA-N 407.492 1.372 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1475667550 NIJWWYACJZOPGH-MRXNPFEDSA-N 417.531 1.326 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(C)c2C)cc1 1504312226 BPCYXXRGHOFYDH-IBGZPJMESA-N 423.477 1.685 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@H]2CO)C1 1505314649 IAPBSSYFJZTTNY-JXFKEZNVSA-N 401.490 1.952 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1507523810 PUUFJVMJGROEON-ZSDSOXJFSA-N 400.479 1.960 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1 1507537401 LGKYATWGNYNJNX-PMACEKPBSA-N 409.582 1.995 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507608238 MMRGWIVPTVIQBM-DLBZAZTESA-N 416.551 1.557 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1507710947 MQPAJIFVFZUNFW-OAHLLOKOSA-N 423.564 1.388 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CCC(C)C)CC1 1507723759 TVQSGHMZHXZEJK-LAUBAEHRSA-N 402.543 1.172 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507741531 WKLGYQUFVSRIFJ-IERDGZPVSA-N 403.527 1.332 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1508085202 DUHGDNQQKXIUCX-UHFFFAOYSA-N 410.522 1.342 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508088478 GMQGKPALPVSRBU-HZPDHXFCSA-N 402.499 1.023 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1508141659 NVXBLNPZCVUDGX-HNNXBMFYSA-N 409.556 1.628 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)n1 1513332863 AYCMKUBQVDSIFA-UHFFFAOYSA-N 413.530 1.698 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(Br)c(C#N)c3)cc2S1(=O)=O 1527157756 CNTXFSRPXCPSMK-UHFFFAOYSA-N 410.253 1.404 30 10 HDEE C#CCSCC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCOC)c1N 1529709102 UXXOTTFCBHHDCI-UHFFFAOYSA-N 402.476 1.077 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1539155094 SOIJIPWLUJYTGR-XLIONFOSSA-N 404.511 1.931 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539203436 PSVNTBGSOTZEEG-RYLXDESZSA-N 420.579 1.969 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539219021 BCQNCQVKZLMTJH-WNRNVDISSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1539230738 PVXAUYCVTRWEAV-LJQANCHMSA-N 416.547 1.727 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1539358852 SGHNMJKHIYNWLY-UHFFFAOYSA-N 406.494 1.418 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539427983 LDNVUGXZVMYOIV-RBUKOAKNSA-N 412.538 1.251 30 10 HDEE C=C(C)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1539734023 ZOVRKYKGDHFFPL-MOPGFXCFSA-N 410.540 1.521 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539743594 LMNIKAPLWQPOAZ-FQEVSTJZSA-N 417.535 1.948 30 10 HDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1540005878 PAJMBOWFZHTLFF-KRWDZBQOSA-N 410.526 1.730 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1540040624 ZLWHXLSKVMOXDQ-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540898085 ZDVSZTPCIOPQNB-MRXNPFEDSA-N 409.556 1.594 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCC(=O)NC1CC1 1541654626 GGNSJEKKXLGMNY-UHFFFAOYSA-N 401.515 1.605 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCCS1 1541934883 GWBPJFWRHHHION-JJRVBVJISA-N 412.585 1.914 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccccc2O)CC1)C(=O)OC(C)(C)C 1545501246 OAQRORFLDOTIFH-UHFFFAOYSA-N 401.463 1.547 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1554556473 IBBDILCSMGROFM-UHFFFAOYSA-N 420.420 1.987 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C)cs1 1555753353 OIZUMPCSRPCXSW-LZWOXQAQSA-N 404.496 1.544 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NOc1cccc(C#N)c1 1557923282 YLHGCQAMDNFYDZ-UHFFFAOYSA-N 416.503 1.821 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557977186 CTSNJMBYPVQUAJ-CYBMUJFWSA-N 422.507 1.774 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1558602124 GAEIZOHOHOHWRT-KPFFTGBYSA-N 421.519 1.075 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3ccccc3CC#N)C2=O)c1 1561345241 GMZIANNDFGGZGI-GOSISDBHSA-N 415.471 1.854 30 10 HDEE COC[C@@](C)(C#N)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1566306488 MFIFUBZLUYMUEP-NFBKMPQASA-N 423.469 1.931 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)cc1S(=O)(=O)NCC#N 1585789670 KOZLFPMAUMFBBG-MRXNPFEDSA-N 406.508 1.174 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nccnc2C1 1585792986 FIVKPNFWQOSZAP-MRXNPFEDSA-N 413.503 1.659 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1587562699 SAQPLIZDMSAUEA-JCTKKGROSA-N 413.547 1.932 30 10 HDEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1587769298 DAROKARIURUEAL-SFHVURJKSA-N 417.460 1.902 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CCS(C)(=O)=O 1587915769 QYORMJQQAMILGZ-OAHLLOKOSA-N 406.508 1.931 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588053205 BHZXKHJMQMEQAB-DLBZAZTESA-N 408.524 1.001 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCOC2CCOCC2)CC1 1588800642 LVJBNNJFRIGVFB-UHFFFAOYSA-N 410.522 1.681 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(F)cn2)CC1 1588858190 ZDFNPLWFVWBFDY-UHFFFAOYSA-N 411.510 1.971 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1589208143 VXUHISKZHFIZCQ-SQGPQFPESA-N 421.567 1.446 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1595577601 YGOUYKNPOLCWJF-HDICACEKSA-N 415.494 1.318 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)C(=O)OC(C)(C)C 1597493175 PVWHVLKQDGOPCF-KRWDZBQOSA-N 400.479 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@@]3(C#N)CCCOC3)c3nccn32)C1 1597511416 XWABQVAMZRBRTQ-AUUYWEPGSA-N 401.467 1.710 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3n[nH]c(C)n3)C2)s1 1597824236 UZXZZBJBCNXZON-ZDUSSCGKSA-N 409.537 1.588 30 10 HDEE CSCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1620280690 DBVVUUDTZBQOKP-UHFFFAOYSA-N 400.508 1.808 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCN2CC=CCC2)CCO1 1620357317 VCYDDIGKNBYUBR-IBGZPJMESA-N 412.469 1.987 30 10 HDEE CC(C)(C)C#CC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1626082228 UYSUVDMLRSPBLC-UHFFFAOYSA-N 406.504 1.730 30 10 HDEE CS(C)(=O)=Nc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1626238826 GDGIWTFZQKUNJV-UHFFFAOYSA-N 406.489 1.834 30 10 HDEE N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CCO1 1628104740 BVERWJWKFRXNNA-ZIAGYGMSSA-N 413.521 1.038 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1629023887 PBKAGQGQGCZTLK-UHFFFAOYSA-N 416.478 1.003 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 1629316595 BFQPQUBLAUWNSU-UONOGXRCSA-N 403.907 1.809 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)ccc1F 1630409736 RZWANERKNVRIRK-SFHVURJKSA-N 419.434 1.767 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 1631129871 LXTAAIAQWJCMTR-CXAGYDPISA-N 422.434 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3oc(=O)n(C)c3c2)s1 1635242851 ZHWBMUTZLOIXCF-UHFFFAOYSA-N 421.500 1.516 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c1 1636316363 FTMWGSPMWAFBEJ-KRWDZBQOSA-N 409.442 1.833 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 1636627613 OYTQOPUQWJKDSG-QGZVFWFLSA-N 423.535 1.405 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)c1 1637941380 FTIQNLFGUYQHGS-HNAYVOBHSA-N 410.467 1.352 30 10 HDEE C=CC[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1638326934 ZNSUUWWXIYIUBD-KGLIPLIRSA-N 418.512 1.035 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)C1=O 1639890449 ONYWIGWNIXOAJP-YCRPNKLZSA-N 424.542 1.962 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2CC[C@H](N(C)C)C[C@H]2C1 1640537084 GRFZELUOMZNYQX-DKIMLUQUSA-N 404.536 1.414 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1643762660 LMYVHNDSNOVJPA-LLVKDONJSA-N 410.862 1.412 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 1643858608 JXEODOZWBNKJSN-UZLBHIALSA-N 403.435 1.064 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1644465987 NIGQAVJKLQWZBC-HZPDHXFCSA-N 405.499 1.744 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1645541232 FIHOAXKYCYGVDS-HNNXBMFYSA-N 423.535 1.845 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1645737977 RFRWFVSDDOMJBP-UHFFFAOYSA-N 406.504 1.836 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(Br)c(C#N)c1 1647797532 FBTYJNNNEKPCGM-UHFFFAOYSA-N 411.256 1.900 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC[C@@H]3C=NNC3=O)C2)C1 1647860122 VPODZJWOSQJBME-OVCBBOEUSA-N 403.483 1.401 30 10 HDEE COc1ccc(C#N)cc1CN1CCNC(=O)CC12CN(C(=O)OC(C)(C)C)C2 1647929431 DNJWWKAVTHXQDQ-UHFFFAOYSA-N 400.479 1.878 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc(O)nc(C)c2C(=O)OC)c1 1651711636 YFHNDWDRHOMHEJ-UHFFFAOYSA-N 400.416 1.699 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3ncccn3)C2)CC1 1655712510 HBXXXQZDWRTZAQ-ICSRJNTNSA-N 408.481 1.814 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1664254200 TUPYLNJRXAQBOE-LAJNKCICSA-N 409.327 1.515 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1)C(=O)OC 1664368419 WTQGOFDJWGZUBD-OAHLLOKOSA-N 402.494 1.072 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1664378415 CCNKAXXRGUCOHR-UHFFFAOYSA-N 406.430 1.218 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1 1669911974 CKBSJXKVCWFAGP-SFHVURJKSA-N 411.483 1.961 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(Cc3cnn(C)c3)CC2)c(C#N)cn1CC 1672913189 APCIJJQHGQYGNS-UHFFFAOYSA-N 413.482 1.640 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Cl)cc2Cl)CC1 1674263377 CRXBRFLTUPWBMT-UHFFFAOYSA-N 419.334 1.331 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1)C1CCOCC1 1684037203 UXHLNWYCBNEBHK-OAQYLSRUSA-N 413.518 1.964 30 10 HDEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1684991472 WHZWEQVTHKYBRB-UHFFFAOYSA-N 412.512 1.387 30 10 HDEE CN1C[C@H](CCNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1=O 1685326178 XQRAUTSCMGULML-MRXNPFEDSA-N 406.490 1.806 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCOC2)c1 1689870337 KTGLWGJNCXYDOG-SJLPKXTDSA-N 422.489 1.322 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1689945563 GAJMPKCWMVWNHP-HZPDHXFCSA-N 420.539 1.388 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689987815 CRDDZXQYXKFPHC-JFIYKMOQSA-N 406.552 1.987 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C)ccc1OC 1690102725 TUGOMCQYASKUHR-GOSISDBHSA-N 411.506 1.875 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1690300674 HXJCBMVXVCGWQP-PMPSAXMXSA-N 415.560 1.485 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1690449323 DFTZHWMYRFLZQC-HZPDHXFCSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@H]1CCOC1 1690676434 ZTIUCTQVICJOII-OAHLLOKOSA-N 403.458 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690725691 YVHUIBKKOHECSA-HZPDHXFCSA-N 400.545 1.318 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1691371157 NYGGSEVKBLAYNT-RDJZCZTQSA-N 410.478 1.214 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCO[C@H]1C 1694081022 OQFYSKXTNJBSLD-DGCWBMGLSA-N 412.494 1.866 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1696429357 NUFUJHYXEBUUQX-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1705530117 IWSBPLAPZPPCQZ-ZDUSSCGKSA-N 409.416 1.597 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1705534687 OJKJKGWQAQODGC-QGZVFWFLSA-N 409.556 1.795 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCCN(CC)S(C)(=O)=O 1705554999 ULNDDIWFZFSVEB-UHFFFAOYSA-N 407.515 1.749 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccco1 1705585027 IJNVLDRBNGELPF-UHFFFAOYSA-N 405.462 1.236 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705700194 PYDJPBWYESQSCO-RDJZCZTQSA-N 409.556 1.655 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705883388 GSSPSEIINXKANQ-INIZCTEOSA-N 420.539 1.260 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705939536 ZGPBPWKPMIMNQX-YYIAUSFCSA-N 410.540 1.592 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNS(=O)(=O)CC 1708531656 FROYCVGGQKKHGM-RDJZCZTQSA-N 423.587 1.298 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2sc(C)nc2C)CCOC1 1710482616 HTWXPLLVCODOGC-BEFAXECRSA-N 418.523 1.781 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1712167053 DPHLBZBZSKFXOQ-MSOLQXFVSA-N 400.458 1.322 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722306100 GVAURPUYOORJNL-RDJZCZTQSA-N 400.527 1.715 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1722315824 SVPXLZJCWCYRNF-SFHVURJKSA-N 411.510 1.651 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1722332276 HLIZRUQSJPLCBO-ZACQAIPSSA-N 407.540 1.403 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1COCCO1 1722387388 KSEVTSJNZBRXAL-QGZVFWFLSA-N 408.462 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCO[C@@H]1C(C)C 1722418848 FQYRBUJISLHVLM-ZWKOTPCHSA-N 405.543 1.954 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1722446776 BFRHBYAOGOCBAI-VGSWGCGISA-N 401.555 1.994 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1722519208 ORHOZYJIYYDXNF-OXQOHEQNSA-N 419.551 1.871 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722544689 LDHOXWPIOQACRP-UHFFFAOYSA-N 418.885 1.526 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722602988 NCPRFVFNWUDHLK-UHFFFAOYSA-N 421.571 1.943 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1722631508 OSIMPJLFKNFTBG-VXGBXAGGSA-N 414.557 1.723 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCN(C(C)=O)CC2)C1 1722712541 UWPHRRZZJKFDAT-GOSISDBHSA-N 413.526 1.219 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)C1 1722714946 QDNKYKKJGKJUNY-IAGOWNOFSA-N 402.543 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1722724196 QBNWBELSVKOHOO-UHFFFAOYSA-N 423.583 1.806 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CCC1CCOCC1 1722736839 KJLLTXWOUWHHHS-QGZVFWFLSA-N 412.556 1.983 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCO[C@@H]1CCOC1 1723605082 VSEBMFZYHCOVMK-UZLBHIALSA-N 404.515 1.742 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCN1CCOC[C@@H]1C 1726397162 HTTYFXURJORNOQ-IBGZPJMESA-N 423.565 1.891 30 10 HDEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1730560075 MRQFRFBFFKDDQC-ZWKOTPCHSA-N 424.505 1.870 30 10 HDEE COCCCN(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1730690520 FSLXTPCJCNJVSL-LJQANCHMSA-N 416.501 1.705 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740625712 HSLDEKXVCMMHOZ-QGZVFWFLSA-N 408.568 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCOC1 1740688187 NLXNUCAXFFCUNL-JOCHJYFZSA-N 414.506 1.711 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(N(C)C)c2)CC1 1740694933 XVWBTTXHTJVBPP-IBGZPJMESA-N 407.522 1.099 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1740734335 ZBBQVUQGMNZKCY-LJQANCHMSA-N 419.551 1.360 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740962975 VMRQSWHATDOYCI-QFIPXVFZSA-N 411.506 1.361 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCS(=O)CC1 1740969443 OYLWCNUDEPXJDY-QGZVFWFLSA-N 402.520 1.964 30 10 HDEE Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)n1 1742719081 AJQXVKLHSQVFRK-CZUORRHYSA-N 422.559 1.388 30 10 HDEE CCc1nc(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)cs1 1744488718 VWDPKXTYETYASJ-HNNXBMFYSA-N 417.539 1.992 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1747366769 YYSRDHHMYOKCGY-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747687946 CWOMXZSDRPSHJC-PEZBUJJGSA-N 421.383 1.865 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1748345058 HHCBUYIWZYFJRC-UHFFFAOYSA-N 414.466 1.104 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1748791502 UGCFQPVQNLUCLV-QGZVFWFLSA-N 418.519 1.323 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2n[nH]c(C)n2)CC1 1748979499 BXBKUBBOOZSFDQ-UHFFFAOYSA-N 421.465 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCNC(=O)C(C)C)CC1 1749013990 BDHHTTSFPIHPGJ-UHFFFAOYSA-N 402.543 1.215 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1749119048 MQIIGAIRPHJEEM-QRQLOZEOSA-N 421.542 1.652 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2ccnc21 1749590023 MKXZYQOVAKWCSZ-QGZVFWFLSA-N 413.526 1.927 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749677219 RSKQBYLUWUDRIQ-UHFFFAOYSA-N 403.531 1.163 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1749683559 XVHFLXQICHQQOZ-QGZVFWFLSA-N 422.493 1.025 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1749710591 YWTKQENALXGKFH-QGZVFWFLSA-N 403.527 1.999 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1749751881 CYVZHMPDLXWDFG-ZIAGYGMSSA-N 412.585 1.856 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1750378329 HMQJJUJQGNQCRQ-QFBILLFUSA-N 418.498 1.673 30 10 HDEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1751720149 VMFMPARMIWSRCG-HXUWFJFHSA-N 413.503 1.523 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1752269890 BCOWUXGVXVJDRL-CZUORRHYSA-N 416.432 1.908 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C(C)(C)N(C)CC)CC1 1759988562 NSQJSPIAPXNTGV-RMMWZPCPSA-N 401.551 1.593 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCS(C)(=O)=O 1760178823 BPRNARVYWXUWBP-AWEZNQCLSA-N 411.528 1.464 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760181524 WVYYAUSPFYCJHU-MJGOQNOKSA-N 407.584 1.868 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1oc(CCC)nc1C 1760249220 XMUOBQLMVFBOAL-OAHLLOKOSA-N 400.483 1.612 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1760259121 YMQDCTARVFBBBR-UHFFFAOYSA-N 414.517 1.971 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)N(C)C)CC1 1760391023 QAGMIZVJUBMSMG-UHFFFAOYSA-N 419.551 1.925 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1760514948 PDDGAZZTZOUCJP-IAGOWNOFSA-N 414.485 1.660 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760519484 GBYXWXWGTPKONM-GOSISDBHSA-N 410.522 1.406 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760525554 JQMQFKIUHPHLHK-KRWDZBQOSA-N 406.494 1.294 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)C2CC2)CCOC1 1760688972 QMAAASDYLSIVIK-YWZLYKJASA-N 404.515 1.441 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1762389450 CCUWSBRHTKNRQI-CYBMUJFWSA-N 406.494 1.916 30 10 HDEE Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCNS(=O)(=O)Cc1ccon1 1762510859 AOLYMJCZDYKDAT-UHFFFAOYSA-N 415.479 1.202 30 10 HDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 1852162776 ADALJXKGNSGYNJ-RTBURBONSA-N 405.458 1.546 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)NCC2(C#N)CCOCC2)CC1 1852636911 KHWCIGLVPRNLNZ-HOTGVXAUSA-N 420.510 1.138 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N=C1NN(c3ccc(Cl)cn3)C[C@@H]1C)CS2 1852787095 QKLUYWBINAGRDE-RYUDHWBXSA-N 418.910 1.908 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cc(C)nn2C(C)C)C1=O)[C@@H]1CCN(C)C1=O 1853789799 OJKMYWUWWQPZFG-DLBZAZTESA-N 401.511 1.622 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1=O 1854174887 IFNYUXSBRRCVDR-RTBURBONSA-N 407.474 1.332 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCCC(=O)c2ccccc2)C1=O 1854226908 RZNVGJRFPDBAKI-RTBURBONSA-N 411.502 1.886 30 10 HDEE CC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320008 AOMIVEFPGOINCM-NVXWUHKLSA-N 418.519 1.038 30 10 HDEE C=CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)[C@H]1C 1854332408 ZQNBVYMYZCSVGZ-MRXNPFEDSA-N 407.536 1.966 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 1855016355 WYPIOIGDDXSSMY-ROUUACIJSA-N 421.538 1.895 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CCCN(C4COC4)CC3)C2=O)cc1 1855611996 HZDYIYZIHPRIRW-OAQYLSRUSA-N 410.518 1.415 30 10 HDEE CN1C[C@@H](CN2CCC([C@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)CC1=O 1856321480 VRUJYIMNZFROAO-YJBOKZPZSA-N 409.490 1.132 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC[C@H](N(C)CCC#N)C3=O)n2)cc1 1856489068 SHGWIRWNGZWMQM-LPHOPBHVSA-N 407.474 1.753 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1856496895 RDLNSDFCZBLHSY-GOSISDBHSA-N 418.519 1.060 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856573783 WTHIBQUBORWICD-BBRMVZONSA-N 409.895 1.266 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856694788 LRLVFCMDZXJBKS-OXQOHEQNSA-N 420.872 1.649 30 10 HDEE O=C1CSC(=O)N1CCNC(=S)N/N=C/c1ccc(Br)cc1 1860497631 WVJOBURTMRIOOE-FRKPEAEDSA-N 401.311 1.943 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1862182635 MDBSTAHXKZXXKS-AZUAARDMSA-N 413.518 1.877 30 10 HDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCO)CC1 1870349519 QTPAGQMMNHMIIV-UHFFFAOYSA-N 410.518 1.819 30 10 HDEE C#CCOc1cn(C[C@@H](C)O)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870562157 SXUCVTKBLIWRIW-GOSISDBHSA-N 411.502 1.572 30 10 HDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3C[C@H](C)C[C@@H](C)C3)ncnc21 1873594917 HOTGXTINXDKTOF-HZPDHXFCSA-N 401.511 1.838 30 10 HDEE N#CC1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892325769 LEMQVDPGXORQHI-KRWDZBQOSA-N 406.464 1.900 30 10 HDEE CC#CC[C@H](NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123800487 XRCIBDBVJBUQDH-FIKGOQFSSA-N 402.447 1.785 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2197779354 UUAPQCPPCBQVQZ-CQSZACIVSA-N 401.529 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C2COC2)C1 2243394933 OUJKVNITVGQPTM-UHFFFAOYSA-N 406.288 1.468 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247255570 PECMCFUYWZURPO-AWEZNQCLSA-N 419.287 1.800 30 10 HDEE Cn1cc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912931 NVAOOXJJQAVRER-OLZOCXBDSA-N 420.319 1.362 30 10 HDEE Cn1ncc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247916397 WTRLOBCMVZUJEI-BETUJISGSA-N 420.319 1.505 30 10 HDEE C#C[C@@H](C1CCC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258160599 QXQFJMUWYFXXHN-IRXDYDNUSA-N 408.476 1.430 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267707529 SHIJCMOUWMVPLZ-UHFFFAOYSA-N 406.766 1.637 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCCC4(C3)OCCO4)c(F)c2)OC1(C)C 2282036103 DQWLHFNPHQLLIK-AWEZNQCLSA-N 406.263 1.935 30 10 HDEE CO[C@@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)CSC 2282052126 YVYOQFXNZCRPKH-JTQLQIEISA-N 403.741 1.481 30 10 HDEE CON1CC[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282305599 AWHFHHJOVAENGR-JTQLQIEISA-N 422.765 1.615 30 10 HDEE COC[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316899 JKYLXSCXCNZQDL-CHWSQXEVSA-N 401.359 1.917 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCCC[C@H]3N)s2)OC1(C)C 2282328884 DVNBLYHFCBTFMK-OLZOCXBDSA-N 400.375 1.986 30 10 HDEE CC1(C)C[C@@H](N)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335448 PRVHKGLXPVMIAD-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN([C@@H](CN)C(F)(F)F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282416510 XBBGYPXWSQTSIV-JTQLQIEISA-N 414.280 1.557 30 10 HDEE C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491098 LZHZOGVBJQJINY-OLZOCXBDSA-N 401.359 1.971 30 10 HDEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2282525977 OGDFXLUHIMWYGF-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1nnsc1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839085 YRKNIQRMTGPCRK-UHFFFAOYSA-N 416.359 1.222 30 10 HDEE CN1CCCC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282863756 WANHOTGBIJMLLW-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCC[C@H]3N)ccc2Cl)OC1(C)C 2282872377 VSIIGXYBIIYJAU-CABCVRRESA-N 400.737 1.797 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284394891 DYVOTXWUMVMLAF-LLVKDONJSA-N 401.315 1.451 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284403151 QSOHMJVYGYXCBM-ZYHUDNBSSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2)OC1(C)C 2284406288 WNLHSPBKJVHDJF-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE Cn1nnc(Br)c1[C@H](O)[C@H](N)C#Cc1cccc(Br)c1 2296217067 QFSCQMLIWYAKLA-ZYHUDNBSSA-N 400.074 1.753 30 10 HDEE CC#CCN(CC(=O)NCc1nn(C)nc1Br)C(=O)OC(C)(C)C 2300611838 BLYKTMXYMIKIOK-UHFFFAOYSA-N 400.277 1.454 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@H](O)c1cn(C)nc1I 2363525875 ITDBCOQRONOQTH-ZYHUDNBSSA-N 402.261 1.544 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@@H](O)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365191627 PSAWKMVRKXZGKL-GJZGRUSLSA-N 403.541 1.979 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC 2365202403 NUIDHUBWPVZTFC-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2365207556 PLEJDZQQPMQXAF-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(COC)CN(C(=O)OC(C)(C)C)C1 2367794234 YTQRWXQUJLZZQJ-HNNXBMFYSA-N 400.541 1.429 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796518 QFNUOEXEWHUUPS-RKVPGOIHSA-N 400.541 1.747 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2 2368659406 FFTOIRFDONXWBE-OWCLPIDISA-N 400.545 1.395 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cccc([N+](=O)[O-])c2)n1)Nc1nncs1 58993039 IJPMHDYZZLJWJX-LHHJGKSTSA-N 405.425 1.741 30 10 HDEE CC[C@H](C)OC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)O[C@@H](C)CC)=C(N2CC2)C1=O 111462502 NDTYNPXZXAMKER-RYUDHWBXSA-N 420.466 1.242 30 10 HDEE Cc1ncc(COP(=O)(O)O)c(C=NNC(=S)NCc2ccco2)c1O 254702918 IOGIFACKSKXVGD-UHFFFAOYSA-N 400.353 1.296 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 254871524 ZTSBKYPYOTZJOB-RYUDHWBXSA-N 404.416 1.431 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)CS(C)(=O)=O)c2)OC1(C)C 404830620 UJOMDQWXULGADZ-UHFFFAOYSA-N 409.722 1.383 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)cc2NC1=O 409637218 FVBNQCZHKUMERO-OLZOCXBDSA-N 422.445 1.552 30 10 HDEE CSc1nc(O)c(C(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1C#N 427246688 SBKZALDJBDTFNV-UHFFFAOYSA-N 412.537 1.703 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cscc3C#N)CC2)c([N+](=O)[O-])c1 432031065 IFSDQZKVEGFHNY-UHFFFAOYSA-N 420.472 1.894 30 10 HDEE COc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1-n1nnnc1C1CC1 443313919 ADRQKDLJBGDRKD-UHFFFAOYSA-N 423.477 1.933 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OC(F)F)c(OC)c2)CC1 463365543 FFBNCEHKYPOIHE-UHFFFAOYSA-N 413.421 1.365 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCS(=O)(=O)C(C)(C)C1 464858539 UHVIJLOPVJWBRV-UHFFFAOYSA-N 410.540 1.461 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1nc2ccccc2oc1=O 465121227 MHGYNNIMBHUYQT-AWEZNQCLSA-N 404.430 1.520 30 10 HDEE C=CCCCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 468388521 AAXLRZFEXJMQAJ-UHFFFAOYSA-N 407.492 1.852 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4)C3=O)CC2)c1C#N 472114108 AOFAWYQHNYLLSS-SFHVURJKSA-N 407.478 1.237 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2Cl)CC1 485049665 AJSQUDLZVPSSQF-UHFFFAOYSA-N 407.854 1.968 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCC(=O)NC(C)C)CC1 492433540 BXZKVHQZIRYSNS-UHFFFAOYSA-N 418.563 1.363 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC(=O)N1C 506782607 UHDIULIEBZRTBB-LLVKDONJSA-N 400.826 1.025 30 10 HDEE C=CCOc1ccc(CNC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1 508447812 FIOVDZKUSSFREG-XSLAGTTESA-N 402.447 1.886 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508476375 CSWODVAPTBFEHU-UHFFFAOYSA-N 409.537 1.469 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CCN1Cc1ccccc1 513042829 ULRICGCLCFFFEO-FQEVSTJZSA-N 418.501 1.857 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 521066336 PFYYYEKXSNDUKO-QGZVFWFLSA-N 406.508 1.352 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CC1 540695609 BAUNCLGLEODKAK-UHFFFAOYSA-N 412.515 1.376 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H](CN1CCCCC1)C(=O)O 547889009 MBSNDWICIBYLQD-ZDUSSCGKSA-N 405.398 1.794 30 10 HDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 573172947 NGQKSHGRMPTRSZ-MRXNPFEDSA-N 418.475 1.259 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1cccs1 577920076 AHXNKIJRJLQMLM-HNNXBMFYSA-N 411.553 1.885 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CC1 591114577 NPOIAAFLEXLFRW-UHFFFAOYSA-N 422.485 1.638 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](OC(F)F)C3)C2=O)cc1 611587545 XSLFSPQIFUZFCU-HUUCEWRRSA-N 406.389 1.993 30 10 HDEE COC[C@H](C)NC(=O)NC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732398373 FPDKZQKBKFCFKN-ZDUSSCGKSA-N 412.402 1.763 30 10 HDEE CSCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732766139 PCWXGANHUFAGBE-RBUKOAKNSA-N 400.548 1.666 30 10 HDEE COC(=O)CCCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732895200 WBPUEUXTUONOEV-QGZVFWFLSA-N 414.462 1.156 30 10 HDEE N#Cc1ccc2ncc(C=NNc3ccccc3S(=O)(=O)N3CCOCC3)n2c1 745201268 NVIKIWBVHVUOID-UHFFFAOYSA-N 410.459 1.673 30 10 HDEE Cc1cnc(CCN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 754904987 ZLZNOXNOJWJUIJ-GFCCVEGCSA-N 406.533 1.970 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cncc(Br)c1 757388275 ODLLPJKJNVIIDJ-UHFFFAOYSA-N 409.265 1.911 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CC=CC2)C1=O 759698029 YVXGQXZIRVVPHX-GOTYSUTNSA-N 415.563 1.711 30 10 HDEE COc1ccc(C(=O)NCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1OC 760402409 VGZUGOREXFXQTG-UHFFFAOYSA-N 423.491 1.354 30 10 HDEE CCN(CC#N)C(=O)C[C@]1(C(=O)N(CC)CC#N)CCN(C(=O)OC(C)(C)C)C1 764876009 NWTXSLFPFAIVOY-HXUWFJFHSA-N 405.499 1.748 30 10 HDEE CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)CC1 768067052 CXRIEDIBPDNOQR-OAQYLSRUSA-N 424.549 1.354 30 10 HDEE C#CCN(C(=O)NCc1cc(N(C)C)nc2ccccc12)[C@H]1CCS(=O)(=O)C1 774239071 AGLRTYMLFMORFE-INIZCTEOSA-N 400.504 1.633 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])n1 788695693 YDQALHPJRJPOAF-UHFFFAOYSA-N 408.436 1.270 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(Br)c1Cl 790260844 HBNBGWYCDUSWHV-UHFFFAOYSA-N 402.719 1.982 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3n[nH]c(CC)n3)CC2)c1 791206890 ARQKCABLJGGSDB-UHFFFAOYSA-N 401.492 1.298 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC(=O)NCC#N)[C@H](c2cccnc2)C1 807553572 STSCZLRFFMNYDE-HNNXBMFYSA-N 402.455 1.025 30 10 HDEE O=C1COC[C@H](C[C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)c3ccccc32)N1 809247365 MVVHRIFYGNMEML-IRXDYDNUSA-N 404.422 1.802 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 809886468 ZWRHESXLCRMRAU-LSDHHAIUSA-N 421.498 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 810188095 SMMUOFSDCYDJJG-QGZVFWFLSA-N 403.458 1.807 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814248869 AWMGNWXBYORMNO-UHFFFAOYSA-N 404.442 1.430 30 10 HDEE C[C@H](OC(=O)c1cscc1C#N)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 814612909 UVACTZBMANZHFR-QWRGUYRKSA-N 407.473 1.690 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 914678794 RYNQZEAWMVNPGS-ZVZYQTTQSA-N 401.463 1.617 30 10 HDEE CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCOCC1 1126703562 CKVZGTDJBUDSJJ-YOEHRIQHSA-N 418.881 1.318 30 10 HDEE C=CCN(C(=O)c1ccc(-n2cnnn2)cn1)[C@H](Cc1ccccc1)C(=O)OCC 1128003072 HBLMYRVSNAGURE-LJQANCHMSA-N 406.446 1.860 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1129171386 AZEXTCCYRPZDJB-GOEBONIOSA-N 423.922 1.990 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1130806074 BEJZFHVXEKLGAS-HNNXBMFYSA-N 419.913 1.043 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2=O)cc1 1132075547 RFEFCBJLZTVMAB-FPOVZHCZSA-N 419.485 1.323 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)nc2O)[C@@H]([C@H]2CCCO2)C1 1134203932 YDPWVPWCTWBEMF-KCPJHIHWSA-N 405.476 1.954 30 10 HDEE C=CCOC[C@@H](NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)C(=O)OC 1139176058 QUHXWRHHVUFYPH-CQSZACIVSA-N 402.369 1.815 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1NC(=O)CO2 1152910810 SUOXNVYDVQDGTL-NSHDSACASA-N 400.416 1.195 30 10 HDEE Cc1ccnc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1162295501 ICGSQSMWWHKWRM-HNNXBMFYSA-N 401.492 1.555 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC(O)(COCCO)CC3)c2C#N)C1 1176272948 KXTSNJINRPOLRY-OAHLLOKOSA-N 421.563 1.909 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)C(=O)/C=C/c2ccc(F)cc2)cn1 1177713071 NXKJCZXRJUNWAW-JZLODUJNSA-N 405.451 1.530 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)[C@@H](C)O)cc21 1179493917 HABJYMQJOYUCKZ-PXAZEXFGSA-N 420.516 1.950 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1188522352 GPAXRUMKOYLGMG-UYAOXDASSA-N 421.519 1.979 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS[C@@H](C(F)(F)F)C3)CC2)o1 1197825868 FULZVWMXTOTMIP-CYBMUJFWSA-N 403.430 1.483 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1224991322 BCUNXXBWQYHFCR-PXNSSMCTSA-N 405.520 1.915 30 10 HDEE Cn1nccc1[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1226375598 FTVKONPYLFTDEI-HKUYNNGSSA-N 409.494 1.875 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1230499314 UKWWJDSAVQODFJ-KRWDZBQOSA-N 421.542 1.788 30 10 HDEE C#C[C@@H](NC(=O)N1CCn2ncc(I)c2C1)[C@@H]1CCCO1 1234637525 YYRIQTPXUDRDCX-YPMHNXCESA-N 400.220 1.194 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1 1248681305 FCYYRDCRGCDORL-KRWDZBQOSA-N 405.543 1.031 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 1252391976 DVSJDDKCJSIRFI-RTBURBONSA-N 420.535 1.922 30 10 HDEE N#CC1(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CCOCC1 1256341724 PXRVVRVKXZLKPK-OAHLLOKOSA-N 412.446 1.013 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N(CCC#N)Cc2cccnc2)C1=O 1265309574 VMRGNCXZUBIVFG-KRWDZBQOSA-N 400.479 1.904 30 10 HDEE CNC(=O)[C@@H](CNC(=O)c1cnn(CCC#N)c1C)Cc1ccc(OC)c(F)c1 1277212820 BMTAAGLHPADQBV-OAHLLOKOSA-N 401.442 1.588 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC)cc1 1286467938 XOFLTLYERRNQCD-IBGZPJMESA-N 411.506 1.666 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1286496295 CHUYDTWJPQBRNN-IEBWSBKVSA-N 418.611 1.770 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1286613278 WIKAUBRSMVJOLY-MRXNPFEDSA-N 400.545 1.811 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1286767927 KRKMKPSGJPMCPN-UWJYYQICSA-N 417.510 1.986 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286793615 IBIAQLPFOJOFHC-DFEOGRTESA-N 419.526 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286818103 UCFMAGOFHJGFHR-OAHLLOKOSA-N 409.556 1.497 30 10 HDEE CC(C)OCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1288389892 PYVTYGMIZNUISG-PXNSSMCTSA-N 407.515 1.863 30 10 HDEE CC1(C)CN(CCn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCO1 1289042813 FUFYZZJQMHSLEU-OAQYLSRUSA-N 413.501 1.817 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)Nc2cc(C#N)ccc2OCCOC)c1 1296302973 GDZNUXLDZOPMND-UHFFFAOYSA-N 405.432 1.730 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3Cc4ccccc4OC3=O)C2=O)cc1 1297336076 UMJCFRDVZAEYGN-GOSISDBHSA-N 404.426 1.790 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1300409640 IZQQMAJPAKAQMW-GOSISDBHSA-N 402.543 1.186 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccccc1 1300512921 NUNRESMEEXYLOL-DHIUTWEWSA-N 408.502 1.911 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1300609257 LFRWXTNDJILXGL-UHFFFAOYSA-N 403.425 1.963 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1300635451 MTOXOSOBFQXYJF-UHFFFAOYSA-N 412.494 1.582 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2ccccc2)CC1 1300681703 ZCULQVDJQCWIMX-QFIPXVFZSA-N 410.522 1.079 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCCC2)CC1 1300697665 GNUGLPZDZIJKDA-OALUTQOASA-N 413.570 1.106 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1300779870 HQHYCCURBNGYNY-IUODEOHRSA-N 423.461 1.807 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300991791 QXIGZVKINTZNGI-KRWDZBQOSA-N 416.526 1.271 30 10 HDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1301008933 DNBNWAIJHHPKTK-DLBZAZTESA-N 415.519 1.205 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1301037255 RPZOKTZFFRBELI-CVEARBPZSA-N 410.950 1.919 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H]2C)C1 1301567649 XWXKQGRXAIXXDL-MSOLQXFVSA-N 402.543 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N(C)[C@@H]1CCOC1 1301593089 IFHMVXIXBMMPHU-QGZVFWFLSA-N 420.535 1.991 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 1302674897 UXNNEVNDAOFUGJ-CHWSQXEVSA-N 408.480 1.481 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC(C)C 1302907814 JWYROTWGHHMRPE-UHFFFAOYSA-N 411.510 1.926 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCOCC(F)F)cc1 1302991367 GTQCJRMZWUOXEU-UHFFFAOYSA-N 411.434 1.333 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1304193413 HYZAUMPQDRYNTH-FQEVSTJZSA-N 409.467 1.683 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2(N3CCOCC3)CC2)n1 1304734021 AWINLVMJRPNLBO-KRWDZBQOSA-N 412.542 1.743 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1306901136 FQLBPCXRYSNSFN-UHFFFAOYSA-N 412.475 1.582 30 10 HDEE C#CCOc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1310304341 ZPOPKWXICNVYLL-BTUGKURYSA-N 405.476 1.031 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(COC3CCCC3)cc2)CC1 1310337708 ODQJUSPTUXEWAX-UHFFFAOYSA-N 420.535 1.763 30 10 HDEE COc1cccc(-c2cc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)on2)c1 1313345027 KSIPNDRDLXEKFR-LIRRHRJNSA-N 416.459 1.430 30 10 HDEE COCC[C@@](C)(O)Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315972254 GGMGYPQIGLKDJY-OAQYLSRUSA-N 414.510 1.799 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2CCCO)CCO1 1316541332 WWYDIRNWUDPKEY-QZTJIDSGSA-N 416.551 1.506 30 10 HDEE CSC[C@H](C)C(=O)N1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1354425643 AXWAJSYDDHVYJH-ZDUSSCGKSA-N 420.539 1.294 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@H](C)N2CCOCC2)c1 1358902631 USQXYFMNAIPWKH-KRWDZBQOSA-N 422.533 1.932 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358909913 WRMGJFSUEQGGDU-QGZVFWFLSA-N 402.524 1.662 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1358929472 ARLHVSGDGZWHHN-AWEZNQCLSA-N 417.482 1.260 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1358939459 WYYZGLOROBNXMW-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1358949092 SLDJFSGANQAFGM-NRFANRHFSA-N 411.510 1.327 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1358961768 DZVODLGPHBYQPK-HZPDHXFCSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358967420 KDDSCKDRRLOATJ-IAGOWNOFSA-N 408.524 1.183 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2cccc(F)c2)CC1 1359035354 RLHQDGASIUDGEE-IBGZPJMESA-N 410.497 1.756 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCn2cc(C)cn2)CC1 1359038061 JAZBATIKIBFYLQ-UHFFFAOYSA-N 419.533 1.860 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H]1C 1359091345 MKORYEWWBMLVPM-FPCVCCKLSA-N 413.544 1.095 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1359113547 KZMQVWUDPPVZPK-CABCVRRESA-N 409.556 1.497 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359126382 NULXOFRMLCGWDJ-HNNXBMFYSA-N 406.531 1.456 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359197271 JNWRQJZDQWFFSI-HXUWFJFHSA-N 421.567 1.885 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1359256094 UTIQCBOAUBCYOQ-AVRDEDQJSA-N 422.489 1.445 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1359303279 IZWVUAOBRJLBJZ-HZPDHXFCSA-N 420.583 1.813 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCOc2ccc(Br)cc21 1443534825 HSZXPNVIFBUEEV-MHMQGTJDSA-N 420.263 1.958 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(C)c2c(C)nn(C)c2[nH]c1=O 1457927640 NQODVKKJAWRNBD-UHFFFAOYSA-N 400.479 1.615 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CC2)c1 1461246594 RRXPEFFOGMKYRB-UHFFFAOYSA-N 423.517 1.894 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1467727527 KALGJPCTUBQCAH-UHFFFAOYSA-N 423.579 1.850 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1468478302 MCOBHLJRVXYHHV-GAJHUEQPSA-N 403.438 1.276 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)cc1 1470952384 DVESXIIPYJTVID-HOTGVXAUSA-N 421.519 1.985 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCN2C2CCOCC2)cc1 1475973172 FLVUBFPRDDLRRB-GOSISDBHSA-N 422.551 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](COC)OC 1507521105 KKXFMLBWZYJWSV-ZBFHGGJFSA-N 406.508 1.468 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1507728940 BTRHYVFHFAGRIN-GCJKJVERSA-N 401.555 1.960 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)C(=O)NC 1507753998 TUHMFPNBAYRLBH-AWEZNQCLSA-N 403.556 1.324 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507957154 LMLAWXZGPULKSG-MRXNPFEDSA-N 417.514 1.947 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1508047948 MBHNFWGHGDVHRT-LJQANCHMSA-N 410.522 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1508075863 BLRKPYKSPDUFSB-UHFFFAOYSA-N 409.494 1.327 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1513188658 FFMQDJVSLJTPNW-IIBYNOLFSA-N 415.542 1.835 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)c1 1519434985 AOESETKHWHBWBK-ZWOKBUDYSA-N 417.489 1.810 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCNS(=O)(=O)c1cccnc1 1520534051 BJIDVDLJUFOVRI-UHFFFAOYSA-N 409.265 1.424 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)NCCN1CCOCC1 1526760305 ADSPQYNEYFVILT-CZUORRHYSA-N 407.902 1.200 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1528599855 JGRPYLRIAYSEAU-CRAIPNDOSA-N 419.503 1.200 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1530084235 OZPPPXPODHJEPN-IBGZPJMESA-N 404.532 1.902 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cncn1 1539015490 UMJMQUMRNNROCX-MRXNPFEDSA-N 406.498 1.202 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1539222579 WQUJQERAQZMPNV-IXDOHACOSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc(CC)s1 1539237294 BZTNKYXAVPETEE-LJQANCHMSA-N 400.508 1.465 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCS(=O)(=O)C1 1539285613 MZUKALUKWRSRKY-QGZVFWFLSA-N 402.545 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(S(C)(=O)=O)cc1 1539312383 PFYITNGDEVKIBK-UHFFFAOYSA-N 422.514 1.593 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1539344515 BJZXWAWGKCBERW-VQTJNVASSA-N 407.584 1.827 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOC2CCOCC2)CC1 1539453293 HPKGMGGXBWKSRH-UHFFFAOYSA-N 424.549 1.605 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1 1539631364 KYBXYPUFBHYUSW-ULQDDVLXSA-N 405.499 1.652 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1539637927 VEBNDDDITGQPKQ-KPFFTGBYSA-N 410.522 1.960 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1540068922 GGQZQFXJHPFLII-MOPGFXCFSA-N 410.522 1.752 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C)o1 1540869890 ZSCYMLZCECSZJK-UHFFFAOYSA-N 412.450 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1540900890 LTORLTMJIDPGPK-RDJZCZTQSA-N 405.524 1.879 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)nc1 1543450152 QRJCMTODISXGKT-SFHVURJKSA-N 409.494 1.512 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCNC2=O)c1 1544607980 LMXPVFZTAPAWJD-NDWLXSOOSA-N 406.508 1.744 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545605066 GOQWFHDOSOUZSZ-WFWFHEKFSA-N 402.499 1.525 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2Cc2ncn(C)n2)CCOC1 1547864476 IBJQKVUQCRHAMS-NRFANRHFSA-N 422.493 1.615 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C(=O)OC 1556971437 YFTBFRFMAJNHOJ-LJQANCHMSA-N 420.531 1.892 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3)oc2C(C)C)CC1 1558073047 JYGBXIPTDMCWSF-UHFFFAOYSA-N 416.503 1.690 30 10 HDEE C=CC1(CC(=O)NCCS(=O)(=O)N2CCCC2)CN(C(=O)OC(C)(C)C)C1 1558591200 XLDAUWNEJFHZTM-UHFFFAOYSA-N 401.529 1.341 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1OCCc2sccc21 1558992714 HPVYGTRWKMOVGW-XIKOKIGWSA-N 405.501 1.717 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 1560128311 DTYGRWUGACRHPC-FUMNGEBKSA-N 401.507 1.430 30 10 HDEE CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560168470 MJXINWVWEHSNLS-SIFORAMQSA-N 415.471 1.833 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)NC)cc(Cl)c2C)CC1 1561506275 WWPMHPRBJYJKHB-UHFFFAOYSA-N 411.911 1.158 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1)C1CCOCC1 1561770769 NALFMTKSXZOSON-SFHVURJKSA-N 415.533 1.207 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1565156574 LZPAUCKFVJSIOS-CYBMUJFWSA-N 417.890 1.533 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)C1=O 1568439845 GOEUMPRUJMYOCF-VBKZILBWSA-N 418.498 1.475 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c1 1569162524 MXVXYTHVJBVECN-MAUKXSAKSA-N 404.492 1.535 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 1570694705 HJUPKQFUIFELFB-CYBMUJFWSA-N 401.160 1.690 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@](C)(C#N)C1 1585431815 LZCDMFHVAGAEPC-BLLLJJGKSA-N 415.309 2.000 30 10 HDEE C=CC1(CC(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)CN(C(=O)OC(C)(C)C)C1 1587763874 SZNXWCLVQCRPMZ-INIZCTEOSA-N 409.527 1.895 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1588229047 QBBCWCMFOFVOSL-KRWDZBQOSA-N 405.524 1.018 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCOC 1588315030 YGPFURCYYWIPEW-UHFFFAOYSA-N 410.478 1.315 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1588446142 ZUWASVHBSYLSID-IBGZPJMESA-N 400.508 1.207 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1589109807 KEXTYMFJXHVYCI-SJORKVTESA-N 402.568 1.440 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2scnc2C)nnc1[C@]1(OCC)CCOC1 1595594686 OAVQYEVMTVVXGM-IBGZPJMESA-N 420.539 1.634 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1596593518 TUGDSXQYFFBWAC-UHFFFAOYSA-N 406.426 1.913 30 10 HDEE CCn1cnnc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1615749167 ARRAYSYVBZHILX-FQEVSTJZSA-N 408.514 1.930 30 10 HDEE COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)cs1 1619671937 BLJJYXRVQIYRIP-QGZVFWFLSA-N 407.475 1.509 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1620357108 AYOQZOVYIARDBF-KRWDZBQOSA-N 407.540 1.737 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1)C(=O)OCC 1622506476 OCZFNNRTMVFTKI-INIZCTEOSA-N 408.480 1.570 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1623039001 AUMYLDNYGRSXCX-SFHVURJKSA-N 401.511 1.057 30 10 HDEE C[C@H]1CCCCN1Cc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1624548006 GAZQESHDUQHACA-INIZCTEOSA-N 409.490 1.901 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1625298962 BJPLVJRWHHPGBQ-HJWRWDBZSA-N 422.489 1.130 30 10 HDEE CC[C@@H](C)NC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629001575 GWFIOKUFRRFORH-ABAIWWIYSA-N 413.496 1.553 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2nnc(S)n2C(C)C)c1 1629109146 HJLIZRGXSVENBT-UHFFFAOYSA-N 406.533 1.917 30 10 HDEE C#CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1630829365 DOEGZTIPQDCUPO-LBPRGKRZSA-N 415.265 1.549 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1N)[C@@H]1CCS(=O)(=O)C1 1630830211 MSSXHKUQWFRAOS-LLVKDONJSA-N 418.256 1.136 30 10 HDEE C[C@@H]1Cc2ccc(Br)cc2CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1630884055 GZSFIMDRSYTMGZ-SNVBAGLBSA-N 403.236 1.556 30 10 HDEE N#Cc1cn(CC(=O)NC(CCC(F)(F)F)CCC(F)(F)F)c(=O)nc1O 1632987973 RBKWVWHNZURRNK-UHFFFAOYSA-N 400.279 1.990 30 10 HDEE C=CCC[C@@H](NC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C)C(=O)OCC 1635698088 HVJIWPDFGKLLIU-MRXNPFEDSA-N 405.495 1.617 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 1636140050 YEGYTSNWCILULP-NQYYFHDYSA-N 415.490 1.783 30 10 HDEE N#CCc1cccc(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 1636654336 HYDGYKPQSWVFJE-UHFFFAOYSA-N 409.265 1.827 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCCO)Cc2ccc(OC)cc2)cc1 1637017060 XLYJWSNNTIADKO-UHFFFAOYSA-N 416.499 1.632 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2c3sccc3OC(C)(C)[C@H]2O)cc1 1638839839 NCJISIJRYIGRNR-WBVHZDCISA-N 420.512 1.663 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1639240819 RKSHUDCMSFILTH-HOTGVXAUSA-N 405.476 1.867 30 10 HDEE NS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1641519824 OHTCUXNGYMKGIH-YFHOEESVSA-N 417.462 1.404 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)cc2C1=O 1644106659 DZHSFFWKEYWFBK-AWEZNQCLSA-N 400.353 1.480 30 10 HDEE CN(C)CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1645039658 FPICODRRKJDXFI-GOSISDBHSA-N 401.492 1.041 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccnn3C3CCOCC3)C2=O)cc1 1648482991 CTDNBBPEHIOJDL-QGZVFWFLSA-N 422.445 1.950 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1651763408 DYCNMPKTCAYSSC-FUHWJXTLSA-N 408.520 1.083 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655692969 XLMRTTUBCJAITG-ICSRJNTNSA-N 415.513 1.429 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)N1CC[C@H](N(C)C)C1 1655962833 AGJOJJOAMUBIDK-HKUYNNGSSA-N 406.552 1.608 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCO[C@H](c2cccc(C#N)c2)C1 1658097141 UBUBEYUQZDTJJW-INIZCTEOSA-N 412.412 1.411 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@H](O)C[C@H]1c1n[nH]c(-c2ccccc2)n1 1660495178 SUCXMHRWEJGDIS-QRVBRYPASA-N 405.458 1.891 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1C 1660901830 CDLHZAUJXIGVAY-OAHLLOKOSA-N 420.350 1.710 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccsc1Br 1666566896 QPWAFLXOIISLES-NSHDSACASA-N 412.352 1.463 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 1667956099 IVUZVMYQOLYFLI-YOEHRIQHSA-N 406.508 1.626 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)nn1 1669875516 ZSADBXMMMBAXAO-UHFFFAOYSA-N 416.257 1.922 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(CN4CCNC4=O)CC3)CC2)c1 1682385266 UHBVVTBHGXOMQM-UHFFFAOYSA-N 424.549 1.969 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)c1C#N 1685146293 WDKWZMXZLWKHIR-JSGCOSHPSA-N 400.405 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689833648 OCIWWTQNQHLLRM-UGSOOPFHSA-N 408.911 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1689848623 YPBHHMRPRJEPPD-SJORKVTESA-N 419.533 1.992 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689913382 NGQUNOQFSAVZGC-GOSISDBHSA-N 418.542 1.753 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689988362 NOONJHWQHRDTBT-KSZLIROESA-N 422.551 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1nncn1-c1ccccc1 1690029893 KLEVYLXVAQFYTO-UHFFFAOYSA-N 416.489 1.508 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(C)(=O)=O 1690054040 NRPAFWVBKKVJPV-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCC[C@H]2C)CC1 1690135182 QMZISBUMQZQPAR-AABGKKOBSA-N 416.570 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1690146141 GWYGEZHPIWSCBM-ZWKOTPCHSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C(=O)NC 1690165502 AMYMLPDJQXCVQU-AWEZNQCLSA-N 415.519 1.859 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 1690218326 CGVIVWLZFHQASV-GFCCVEGCSA-N 411.304 1.124 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1690669366 BQRVWMCOOOTNKF-UHFFFAOYSA-N 412.542 1.255 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2nccnc2C)CC1 1690672596 XHTKKYNBUTZSBR-UHFFFAOYSA-N 412.542 1.594 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(C)C)C1 1690724285 LLTYYZWPSSWEKI-IRXDYDNUSA-N 412.556 1.982 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1696808637 VZVGEIWWWRYDSN-UHFFFAOYSA-N 400.464 1.724 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1697449278 DDMKASAHJGODRX-HUUCEWRRSA-N 412.450 1.023 30 10 HDEE CS(=O)(=O)NCCn1c(CCCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1698319364 DTKCKTJITAHAIV-IBGZPJMESA-N 420.514 1.445 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2CCCCN2CCC[C@@H]2CO)c1 1698486314 WGKCSZLPSLPEDT-HXUWFJFHSA-N 410.522 1.890 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705550054 AEBCVORKVYVUFW-NVXWUHKLSA-N 415.523 1.009 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1705552729 OCRSKJBKEHJHML-MRXNPFEDSA-N 417.464 1.946 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1705580650 MGLJMJQBNJTQOK-SFHVURJKSA-N 405.458 1.396 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)C(C)C 1705580698 OUJYBEMXSZIWKP-UHFFFAOYSA-N 415.501 1.976 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCC2 1705616252 AABLQQBROIEIDP-UHFFFAOYSA-N 410.507 1.315 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1705628381 FEYHPAAKCIQIBT-CRAIPNDOSA-N 411.462 1.155 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@@H]1C 1705630265 MFPGDIILTFTXKN-LPHOPBHVSA-N 400.527 1.898 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCCC(C)(C)C1 1705630533 WLIFAXYAARKABU-UHFFFAOYSA-N 416.570 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705635246 UXRVBBFJCHTERB-XUZZJYLKSA-N 422.577 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](F)COC)CC1 1705649020 HHESQMNFHSJJQO-MRXNPFEDSA-N 402.474 1.234 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705736640 YMCABHSMHOPJHA-HOTGVXAUSA-N 404.515 1.317 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1705739494 ICLAGYPMULJRSB-UHFFFAOYSA-N 404.515 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCSCC1 1705937907 IHJOKHBILNLAIL-UHFFFAOYSA-N 410.569 1.294 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1712229312 ASOHWXGPCUYJFT-OAHLLOKOSA-N 407.434 1.311 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCN(CC)C1 1722350472 AWVCSPPAPAXJSU-SFHVURJKSA-N 408.554 1.863 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCCN1CCCO 1722352078 DUMDHIXBNOOBQU-INIZCTEOSA-N 421.505 1.510 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)c(F)c1 1722371363 WGIHFBSJEVGEOD-UHFFFAOYSA-N 408.481 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@](C)(O)C(C)C)CC1 1722447650 KZSUTACQSYJJKO-XMSQKQJNSA-N 417.554 1.893 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCS(C)(=O)=O 1722475973 KFCMLJNDZRTBPF-LJQANCHMSA-N 404.540 1.567 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722532829 XORXNSQPQRNNGA-OAHLLOKOSA-N 400.487 1.280 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1722534480 PUPOPQIZISVGGV-MRXNPFEDSA-N 409.494 1.421 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722549794 AECYIQAVPLOBPN-AWEZNQCLSA-N 407.906 1.320 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1 1722671439 STVSFLVGWWMDNG-MSOLQXFVSA-N 401.559 1.434 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1 1722690765 LKFUKLCLXYBGKI-IKGGRYGDSA-N 410.540 1.615 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1C1CCC1 1722699787 YINWHGAAQUUNBT-CVEARBPZSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@H](C)C(=O)NC 1722701308 MINQPQLKWNEETM-INIZCTEOSA-N 423.521 1.402 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1722728412 VSPCWGYJYYQZNJ-OAHLLOKOSA-N 409.512 1.177 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1729221120 SPCZCBRCQIDOBM-VQIMIIECSA-N 424.571 1.979 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740578596 JKKSABOLKXTNLS-UTKZUKDTSA-N 403.527 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](C)CN1CCOCC1 1740683024 QWQUXLPSAZGKRU-GOSISDBHSA-N 400.527 1.338 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCS2)CC1 1740705141 BRXUDFMCUQPSLX-IAGOWNOFSA-N 403.552 1.643 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1740947201 RSJGZWORXBQNPH-JKSUJKDBSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1740958613 FCMSTFVKWYDCDY-UHFFFAOYSA-N 400.508 1.482 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1741005386 IHMBUQBQXSJOBZ-UHFFFAOYSA-N 408.572 1.671 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CC2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741640868 JDGVDOQATQKVQK-VLGSPTGOSA-N 415.498 1.179 30 10 HDEE CCOCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1747332894 PJSSRHCKQFIUSX-QGZVFWFLSA-N 401.515 1.004 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@H]2CCCO2)cn1 1748009462 ILUMPOBUKPTTQE-APWZRJJASA-N 403.462 1.706 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1748671841 NGTBSEWYLAUBRE-KRWDZBQOSA-N 420.525 1.592 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(C)C(C)C 1748831688 UGPFMZHRCAPSRR-UHFFFAOYSA-N 413.547 1.762 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1748929437 JHOPLQNKJYAPDK-HNNXBMFYSA-N 415.585 1.212 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(=O)NC(C)C)n1 1748970785 SCGKKFZRDSCSHG-UHFFFAOYSA-N 415.542 1.583 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749231546 VAMZPBQHVKQSLW-LJQANCHMSA-N 418.586 1.956 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749427360 QFCFEZYUAHRYJV-HZPDHXFCSA-N 414.514 1.670 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1749537968 QOEUQDIKEUVZDJ-ROUUACIJSA-N 424.505 1.963 30 10 HDEE CC(=O)NC1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1749965155 GMIPNIFJVKLOJX-UHFFFAOYSA-N 405.462 1.882 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1750046967 DLTDGMGSVHUVBX-RTBURBONSA-N 424.505 1.727 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1750075814 HVEWFOXZKAFWPN-GGXPGOJBSA-N 413.478 1.926 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC 1760104565 ANTANQCVJKQHEP-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1760195422 BJMNFKKKYDSASR-SIKLNZKXSA-N 415.538 1.112 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCNS(C)(=O)=O 1760241868 MZMNOTKBQYNVAU-MRXNPFEDSA-N 421.498 1.110 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCc2cn[nH]c2)CC1 1760269095 YCLZVWIHBCEKJQ-UHFFFAOYSA-N 418.505 1.580 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1760445442 JZHMNZDJVWKOHX-WMZOPIPTSA-N 407.515 1.263 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1760552095 BQOJRQQYIBOZTE-IAGOWNOFSA-N 420.583 1.803 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1761551849 QMDNAXDQTLACDW-QGZVFWFLSA-N 410.478 1.480 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)o1 1764606695 XRRDUFTZLQPZKZ-CABCVRRESA-N 404.471 1.638 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1)OC 1769236724 AWABBXYZGFVCEC-GOSISDBHSA-N 413.478 1.868 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1770803448 VOINVCZRFGMPNO-HZPDHXFCSA-N 416.457 1.415 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](CO)c1ccccc1I 1772665843 OITBNSCECVJHJC-RDBSUJKOSA-N 402.232 1.967 30 10 HDEE O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)ON1C(=O)c2ccccc2C1=O 1772793343 XLNMQJIUHUMHRP-UHFFFAOYSA-N 414.439 1.914 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2ccnc2C2CC2)cc1 1851499559 NFOAFQQXZVPGIJ-FQEVSTJZSA-N 410.474 1.955 30 10 HDEE O=C(c1ccccc1N1C(=O)CCC1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851629058 WGUWOGJASHDWGZ-UHFFFAOYSA-N 417.365 1.824 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)nc1 1852489380 RHUVUJPQGAIECN-GOSISDBHSA-N 411.506 1.410 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2=O)cc1 1854038956 XVGGVUFSQJRXMS-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1=O 1854211391 VHTVZCPZWQSMAP-DLBZAZTESA-N 400.479 1.329 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cccc(-n4cnnn4)c3)C(=O)C2)c(F)c1 1854301200 GUPHNLLQMIGIPT-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)[C@H]3CCCCO3)C2=O)CC1 1854864555 XATRNWKYRUJYRN-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4)C3)C2=O)CC1=O 1854884232 VGSAKFPMBRDSOH-APWZRJJASA-N 412.490 1.087 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)Cn2nnc3ccccc3c2=O)C1 1855406933 BOJGFIFGABITBE-SJORKVTESA-N 409.490 1.597 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(Cc3noc(C)n3)c3ccccc32)CC1=O 1855715072 BSRDEOYOWZYLNU-OAHLLOKOSA-N 409.446 1.682 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855724481 XLIOAJDLPWCPNQ-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE CN1CCN(C2CCN(C[C@@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)C1=O 1856150806 PEKRJANITUJPCD-KRWDZBQOSA-N 409.490 1.379 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccc(F)cc2)C1)C1CN(c2nccnc2C#N)C1 1856277752 AVQQEVFVMRPLCO-AWEZNQCLSA-N 408.437 1.297 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c3ccccc3nn2C)C1=O 1856748214 HTSJBTKUNJHIPE-QZTJIDSGSA-N 409.490 1.423 30 10 HDEE CCOC(F)(F)CN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856848608 QFDRSOHFZSWTEX-UHFFFAOYSA-N 401.391 1.266 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H](F)CC(F)(F)F)c2ccccc21 1856906922 RRVQRIPMBLXCKB-SNVBAGLBSA-N 407.345 1.900 30 10 HDEE Cc1ncn(CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)c(=O)c1C 1857291722 PCMUVTYIWJZNJL-ROUUACIJSA-N 411.506 1.251 30 10 HDEE COc1ccccc1C1=C(Nc2cccc(C#N)c2)C(=O)N(CCCNC=O)C1=O 1863430345 CBOBGFBBJUPWNA-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE N#Cc1cccc(C(=O)Nc2nc(N3CCN(CCO)CC3)nn2-c2ccccc2)c1 1870009074 GMCOTFBCVRXUAI-UHFFFAOYSA-N 417.473 1.506 30 10 HDEE COCCOCC(=O)Nc1c(C#N)nnn1Cc1ccc(C(=O)OC(C)C)cc1 1870112976 HMJKEMFWIWPZSN-UHFFFAOYSA-N 401.423 1.365 30 10 HDEE CN(C)CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C)CC1 1870349649 WMWYDMHRRFWVQO-UHFFFAOYSA-N 423.561 1.998 30 10 HDEE C#CCOc1cn(CCCO)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870562199 VJEUJJZDMPUFJL-UHFFFAOYSA-N 411.502 1.574 30 10 HDEE CC1(C)OB(CCCN2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)OC1(C)C 1977841168 UROQUTSOYNNDNP-RYUDHWBXSA-N 407.242 1.323 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1995958507 WAQDCELYWCLLFK-GDBMZVCRSA-N 422.331 1.896 30 10 HDEE C[C@H]1CC(=NO)[C@H](C)CN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2032025587 SNHIWKDVNRGKPP-KGLIPLIRSA-N 407.492 1.953 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H]1CC[C@H]1NC(=O)OCc1ccccc1 2044241542 FUXOAVHKZJHBNU-SJORKVTESA-N 400.460 1.876 30 10 HDEE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2054403307 NNZUYOCIHMVRME-OKZBNKHCSA-N 406.508 1.856 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C 2174781588 HHQXCLMGZXNUKI-RVKKMQEKSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174789609 SLGGEAMWDCVYTN-AWEZNQCLSA-N 419.569 1.579 30 10 HDEE CC(C)N(CCC#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197738676 FCHBMZLDXUFIKR-CQSZACIVSA-N 401.529 1.950 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCCOCCOCCNC(=O)OC(C)(C)C 2233919369 VNJTYYDDSYZFID-HNNXBMFYSA-N 407.533 1.259 30 10 HDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247830594 RAOKCUXWCHMFSK-UHFFFAOYSA-N 422.291 1.333 30 10 HDEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247909796 FGWBXADPVVLDJK-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248433851 RKKLZCIYOGOLOD-ZDUSSCGKSA-N 421.303 1.453 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C2OCCO2)CC1 2267123743 XBQWBLNSUALQIV-UHFFFAOYSA-N 408.329 1.976 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN(C=O)CC3)cc2Cl)OC1(C)C 2282307109 XHHITERNISHUER-UHFFFAOYSA-N 420.749 1.163 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CC[C@H]3CN4)cc2Cl)OC1(C)C 2282317710 VJKPFTCXLXDZSJ-MNOVXSKESA-N 418.777 1.826 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C[S@](C)=O 2282322726 QDQFJMFFBRZWML-CANCMXDXSA-N 401.359 1.340 30 10 HDEE C[C@H]1CC[C@](O)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282353844 YFEIPUZWPBYDNB-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C 2282409911 SPUUWUKEEZNEMT-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)CN(C)C)c1B1OC(C)(C)C(C)(C)O1 2282498605 GZYZVEHYTYIWPT-NSHDSACASA-N 402.391 1.893 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3(CN)CCC3)ccc2Cl)OC1(C)C 2282507883 NLTRMVGOSGIPRE-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE CC1(C)CNC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282510374 XOBMCHZTRACRNJ-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3[C@H]4CS(=O)(=O)C[C@H]34)sc2Cl)OC1(C)C 2282624089 KDTKZVAFNJXBJD-IUCAKERBSA-N 417.745 1.474 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282862762 IBMAZDUNMFMQRA-RUZDIDTESA-N 401.359 1.423 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](O)C(F)F 2282868792 SMEZJGWNMHNQDE-SNVBAGLBSA-N 411.301 1.650 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H]3C(=O)O)ccc2Cl)OC1(C)C 2284399060 FYUZHXRXFDFOTH-ZDUSSCGKSA-N 401.677 1.487 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2300233927 UPNJAUJQGLKHSR-BETUJISGSA-N 420.319 1.505 30 10 HDEE COc1cc(C=C2SC(=Nc3ccc(S(N)(=O)=O)cc3)NC2=O)ccc1O 2314436833 MFSIRZJEVNXAPD-UHFFFAOYSA-N 405.457 1.940 30 10 HDEE COc1cccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 2325552697 FRFPUNXIBMEZPC-UHFFFAOYSA-N 402.428 1.741 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1cccc(O)c1 2328471452 DRQNIWBFFRZJDP-UHFFFAOYSA-N 412.431 1.942 30 10 HDEE CC(C)c1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331690258 WWJLSEGSSFCZRQ-UHFFFAOYSA-N 406.424 1.541 30 10 HDEE C#CCN1CC[C@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338824213 YCZBZACBEWXNRN-KRWDZBQOSA-N 417.531 1.470 30 10 HDEE COC1(C#C[C@@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CCCCC1 2363653356 ZCRQDCKZCAGMBP-DNVCBOLYSA-N 401.525 1.782 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203628 UPYVHTNIACGSDI-ARFHVFGLSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365211547 MLMXDHPJPDMTEF-UKRRQHHQSA-N 401.525 1.779 30 10 HDEE CC[C@@](C#CC1(S(C)(=O)=O)CC1)(OCC(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2367784877 BVTUTFPDNBHAFP-ACJLOTCBSA-N 403.497 1.730 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367801649 VARGPKRGLSYJMW-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1 2367803484 LMCSRUWJTRACLZ-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367818347 VKJJTXYYEYIZKL-OAGGEKHMSA-N 400.541 1.292 30 10 HDEE C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OCC(N)=O)c(OC)c1)CC(=O)N2 21785041 PKROOMLBTCLSCH-NSHDSACASA-N 416.459 1.395 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(F)c(C)c3)no2)CC1 57444386 NUFMGAKUFJIDOS-UHFFFAOYSA-N 415.469 1.563 30 10 HDEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccncc1 59881132 YKJKZFOBNDXUOK-SRZZPIQSSA-N 415.483 1.951 30 10 HDEE COCCN/C(S)=C(/C(=O)c1ccc2c(c1)OCCO2)[n+]1cc(O)ccc1C 139875702 YZDIKQDFVNTOLS-UHFFFAOYSA-O 403.480 1.934 30 10 HDEE CON=C(c1nonc1N)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 254378135 CXLHHYBURYYJRL-UHFFFAOYSA-N 415.332 1.709 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C(C)C 382909599 AMEZNAKXKJEWGP-GFCCVEGCSA-N 407.229 1.926 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccn3)C(=O)OCC)cc2C1=O 429273502 MYBFOIKZVVQKPS-SFHVURJKSA-N 407.426 1.768 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 448376602 QAMQVAYHESAVIY-GJZGRUSLSA-N 409.508 1.505 30 10 HDEE COc1ccccc1C(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 473946368 STCKJRRSJCWPKQ-QGZVFWFLSA-N 424.482 1.837 30 10 HDEE C=C(C)COCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 474800121 GJISQXGNTAEIPG-UHFFFAOYSA-N 412.468 1.203 30 10 HDEE Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478977082 QDZWJSHYPBGTFZ-CQSZACIVSA-N 415.519 1.925 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 487518074 LAIOSWCKXVTYRJ-XJKSGUPXSA-N 412.450 1.591 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)C2)n(C)n1 490344942 KQSYTUIQOPNTKE-ROUUACIJSA-N 409.494 1.827 30 10 HDEE CCC1(CC)CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CCS1(=O)=O 494543872 CDEUMSHYISZUHS-UHFFFAOYSA-N 401.466 1.444 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 501955395 NJZGQUWFYZRZBZ-HNNXBMFYSA-N 408.528 1.808 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 507489986 FAKHDEBJPAGMIY-UHFFFAOYSA-N 404.492 1.782 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]2CCCO2)c1=O 512721570 WOESQTDGGJVFDL-INIZCTEOSA-N 414.531 1.423 30 10 HDEE Cc1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1S(=O)(=O)NCC#N 520864695 JKVUWAWNHBSHPY-UHFFFAOYSA-N 418.450 1.647 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCC(=O)NC2CCCC2)CC1 535139298 WORRLSLXWGIFQZ-UHFFFAOYSA-N 418.519 1.230 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)Cc2cc(C#N)ccc2F)C1=O 542120019 NPCRDHQJDMGDPC-MRXNPFEDSA-N 405.455 1.041 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)cc1 555489034 PJIOBGIOCZIIIB-VGSWGCGISA-N 406.490 1.960 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C#N)cc2)CC3)CC1 570945181 RUFTYWSUBSQPSL-QGZVFWFLSA-N 406.490 1.135 30 10 HDEE COc1cc(CNC(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)ccc1C#N 572830215 QTNPSZBHFMBKKF-UHFFFAOYSA-N 406.442 1.522 30 10 HDEE CNC(=O)CN1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 576305320 VXZVFAKMJSHQEB-UHFFFAOYSA-N 415.885 1.729 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 578330909 QJESPLBMTZDCKL-MRXNPFEDSA-N 415.454 1.572 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)C1CC1 579888138 JYTYUOXAJOPGPB-UHFFFAOYSA-N 403.508 1.751 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 603798178 JJCLKBYEDIWDBA-QGZVFWFLSA-N 409.511 1.179 30 10 HDEE COC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1C(=O)OC 610377375 JQDGNFGVTFLTAQ-UHFFFAOYSA-N 413.361 1.525 30 10 HDEE CC1(C)OB(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)OC1(C)C 704369354 ZAUWZHWIWIUUEA-UHFFFAOYSA-N 408.285 1.224 30 10 HDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCOC 730140100 UQPCUAYBBSBXGB-KRWDZBQOSA-N 406.552 1.895 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCOCC)c1 730144001 GPRVEDXUGCLWEC-GOSISDBHSA-N 416.547 1.704 30 10 HDEE C[C@@H]1CCC[C@@H](C)N1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 730786835 SKPJLFWWFYFFMS-HZPDHXFCSA-N 406.552 1.884 30 10 HDEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732663828 HKVLNHIKUYWBPO-QGZVFWFLSA-N 406.508 1.414 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(F)cc1OCC#N 748622195 ALBOMVHQVBBLCI-XOUADPBQSA-N 405.382 1.685 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cccc1S(N)(=O)=O 754063229 CCRCDHVYMJLPMY-ZDUSSCGKSA-N 408.480 1.228 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1CCC(F)(F)F 757264643 BILXCOFJRGFWQZ-NXVVXOECSA-N 424.379 1.763 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(c2nc(C(=O)OCC)cs2)CC1 759107129 VZNGCPHXKRZNPG-UHFFFAOYSA-N 415.537 1.810 30 10 HDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(Cc2ccccc2)C1 762365060 JVSAROYIIZNXNI-KRWDZBQOSA-N 412.515 1.458 30 10 HDEE COCCN(C[C@@H](O)c1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 763231468 BFVCPSOKRNXZLO-MRXNPFEDSA-N 401.467 1.245 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771316362 NIZXFHHOSCTNMQ-NRFANRHFSA-N 417.462 1.348 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 772740981 LVPFUGBZMHAZNG-AMGRQBIBSA-N 418.494 1.903 30 10 HDEE COc1nc(C)c(Br)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 777140596 ANEVZFNKGJUSCO-FYWRMAATSA-N 409.240 1.417 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 780932915 SVEBYIOKAKNBQN-SFTDATJTSA-N 406.486 1.605 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790504331 SVQGCSSOVIAZKE-DNVCBOLYSA-N 415.556 1.872 30 10 HDEE COc1ccc(CNC(=O)COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 796278358 DOKSFHPRHRWOOW-UHFFFAOYSA-N 412.446 1.939 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 802626960 RTSKURPZZYJNGY-KSSFIOAISA-N 404.438 1.460 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 812038088 GLJMKWATTQRDPB-KCQYIYACSA-N 416.453 1.289 30 10 HDEE C#C[C@@H](NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C)c1ccc(F)cc1 813256028 YOMZVCOLYLURJA-QGZVFWFLSA-N 404.409 1.494 30 10 HDEE C[C@@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)NC2(CCCC2)C1=O 1126549450 HXCSIGMNSBBRRS-ZDUSSCGKSA-N 407.434 1.390 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1126947905 GMIQJZQCIQFORR-MRXNPFEDSA-N 421.519 1.994 30 10 HDEE CCOC(=O)N1CSC[C@H]1C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 1127753558 KNYQSGNLENVSLJ-STQMWFEESA-N 409.464 1.925 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1136678438 XQOZSISDCBCZHW-YCABEKBOSA-N 401.482 2.000 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)[C@H](C#N)C1 1137215122 NCICXMUXEDHIAI-IJLUTSLNSA-N 404.389 1.415 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1138703830 ZQCMMTILCGBHLF-SJORKVTESA-N 402.344 1.821 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(CC(=O)OC)cs2)s1 1142033345 BEMPNPIAARIRHP-UHFFFAOYSA-N 415.518 1.566 30 10 HDEE CON=CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202153 DINSOOUGTWARMV-GJZGRUSLSA-N 409.487 1.013 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@H](n2nncc2I)C1 1153136260 RHUSSFFCXSZZQC-NSHDSACASA-N 410.219 1.570 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1156821352 RCXVBVYJUQXQFD-CQSZACIVSA-N 424.461 1.985 30 10 HDEE Cc1nc(C#N)cc(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)n1 1162515111 GMQIQBMGEPDQTC-UHFFFAOYSA-N 401.448 1.166 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])s1 1163676219 SQUYDZAKZORLJQ-UHFFFAOYSA-N 407.477 1.685 30 10 HDEE C[C@H]1CN(c2cc(F)cc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c2)C[C@@H](C)O1 1164440208 HFMROQTXNLAAIU-TXEJJXNPSA-N 401.398 1.212 30 10 HDEE N#CC[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(F)(F)F 1178329816 CNQNOJCKBKZCJA-KGLIPLIRSA-N 409.368 1.497 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 1183858192 SVNDVHRCIDODNF-GXTWGEPZSA-N 405.398 1.453 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CNC2(CC(N)=O)CCCCC2)CC1 1198533728 OVMFGROMQIPUFH-MRXNPFEDSA-N 403.552 1.625 30 10 HDEE C[C@@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CCN1S(C)(=O)=O 1226083876 UEXWMUBHMIKPQQ-CQSZACIVSA-N 416.507 1.134 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21 1266526974 ZUMYRQYXQRJXKE-NSHDSACASA-N 401.282 1.592 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1286294799 XKGMSQYDOQYWEH-YOEHRIQHSA-N 408.462 1.692 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)Cc1ccccc1 1286370218 HZHBAVBQCLQVLP-UHFFFAOYSA-N 410.503 1.810 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCN(CC)CC1 1286405842 ITCDOXHGRBEWMX-FQEVSTJZSA-N 407.566 1.630 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1286451682 NBOWSNGCQHXNRQ-KURKYZTESA-N 424.615 1.716 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1286469110 RABPGWRJDOKBLN-LJQANCHMSA-N 411.462 1.230 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286789408 RZECZHFEMMDAGR-GOSISDBHSA-N 420.521 1.813 30 10 HDEE C=CCOc1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1286796643 MGNDPRVQZHLTSX-LJQANCHMSA-N 411.506 1.795 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1286829731 ZUHJSTDGEAAOSH-UHFFFAOYSA-N 416.551 1.863 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)nn1 1295438545 ARVDWOCYENHUST-UHFFFAOYSA-N 413.862 1.403 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)nnc1-c1ccco1 1297519137 VYFIDDYBUUEUFV-HZPDHXFCSA-N 417.535 1.874 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1297586891 KVLPHXJUAOTTGK-INIZCTEOSA-N 412.494 1.822 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 1298486079 DAWPOHCNUQALSR-SFHVURJKSA-N 414.506 1.864 30 10 HDEE COC1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299779691 UEYUOWQCUIIADT-FBMGVBCBSA-N 409.450 1.092 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1c1ccccc1 1299898260 CFIPEWZZXJDBJL-DLBZAZTESA-N 424.457 1.404 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300282425 OTQNVYFLFMHNCL-AEFFLSMTSA-N 406.490 1.770 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1300508978 BZPBECXQZRJZDB-MRXNPFEDSA-N 407.540 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCOC2)CC1 1300719740 OHPZYRGMKIIWPS-MRXNPFEDSA-N 409.494 1.128 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@H]1C 1300733460 JWMLCPLIRJYJNE-MJBXVCDLSA-N 417.626 1.585 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)[C@H](C)C3)n[nH]2)c1C 1300820621 OFFMJDZIIMTDIT-GFCCVEGCSA-N 406.512 1.182 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1301277927 DJYDRLBWQIBPQX-IBGZPJMESA-N 407.540 1.979 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1301289735 NROWNVGIWRLLRH-UHFFFAOYSA-N 409.494 1.775 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1301475621 WATXYTOBTUMCDF-ROUUACIJSA-N 419.526 1.263 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301500798 POCTVVTWEYQELM-IRXDYDNUSA-N 418.542 1.565 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)ccc1F 1301511502 YXCGHHGCSCLXCQ-CQSZACIVSA-N 412.487 1.118 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](C)C1 1301567547 ITKHLCBZBGNILG-GASCZTMLSA-N 418.523 1.618 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1301578946 KWSRJSZNSNBVEW-JKSUJKDBSA-N 405.524 1.737 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1=O 1301870858 HZRUSWVGSUNCIA-IAGOWNOFSA-N 402.499 1.364 30 10 HDEE CSCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1302754078 CSACFFQOKXSBNX-CYBMUJFWSA-N 400.574 1.771 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1303641938 FPTKWROVYCZXDO-QRWLVFNGSA-N 402.474 1.801 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1303815150 HKAIHKGMGOXWJJ-KBPBESRZSA-N 422.511 1.264 30 10 HDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3[C@@H](CNS3(=O)=O)C2)cc1 1303994267 SGOKQZOVEOGYCV-AWEZNQCLSA-N 416.434 1.464 30 10 HDEE C[C@@H](SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc2ccccc2[nH]1 1304002113 MLVWUWDOPNRFGO-VBHSOAQHSA-N 404.517 1.754 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCCS(C)(=O)=O 1304853763 QQFBVLSSUDEAOQ-UHFFFAOYSA-N 417.539 1.395 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN(C)CCOC 1305464539 AUWGVCVEPQRWBK-OAHLLOKOSA-N 413.526 1.905 30 10 HDEE CCCN(C)C[C@@H]1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306788463 PUBASLHJFTWJDZ-QBNCKDSPSA-N 415.542 1.535 30 10 HDEE Cn1c(=O)[nH]c(Oc2ccc(I)cc2[N+](=O)[O-])c(C#N)c1=O 1307098001 HGROSKOUQOARDH-UHFFFAOYSA-N 414.115 1.250 30 10 HDEE CO[C@@H]1C[C@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)Cc3cccnc3N2C1 1307999536 MEEJPWWAUDTAQJ-RBUKOAKNSA-N 412.515 1.836 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1311718095 UKZCPPBFADGFIA-QRQLOZEOSA-N 423.535 1.677 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCc3cn(C)cn3)c(C#N)c2N)cc1 1312831609 OJXDMEWARDMDIN-UHFFFAOYSA-N 406.494 1.843 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1)C1CCOCC1 1313043928 XABCXXHKQKMADM-WSTZPKSXSA-N 404.555 1.247 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cc(C)nn1C 1314387894 BGQNBGNTFPIWMT-UHFFFAOYSA-N 421.509 1.498 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC(F)F)CCN1C1CC1 1316540007 SNLODKZOWYHBLH-GOEBONIOSA-N 410.469 1.978 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1358963677 MJPAROPMZCFJQW-OAHLLOKOSA-N 418.567 1.374 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359008227 JQCLWNJJPILCEJ-HNNXBMFYSA-N 402.499 1.556 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1359082157 ARWZUKDHLIBPDB-LLVKDONJSA-N 413.320 1.489 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359172173 NFBKTWUUWPBCGP-KRWDZBQOSA-N 421.567 1.884 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1C(C)(C)C 1359281356 WVRHVCYFNPZTHH-AWEZNQCLSA-N 402.503 1.263 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCO[C@@H]1C 1359282914 WUHPBVNPOOODHB-YLJYHZDGSA-N 404.515 1.318 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359306593 LHUUFXCZZXLZHW-WMEZAQDKSA-N 419.526 1.308 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1359345903 UFGJBMRIFJBHNJ-OAHLLOKOSA-N 406.556 1.282 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)CCOC1 1360348088 SFNYQRISMDOPSC-BBTUJRGHSA-N 418.542 1.388 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)CC1 1360788906 JCMCVXHXUKPEFR-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1cccc(C)c1 1439615866 OIMLXIOUVSEIMY-NEOGFGCTSA-N 415.515 1.301 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1443587700 VINAPHARMAKUMP-FSNWXROXSA-N 405.470 1.093 30 10 HDEE C=CCOC[C@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)OC 1448496152 OPMAIXRQFQUSHK-SFHVURJKSA-N 404.463 1.164 30 10 HDEE C#CCN(CCNS(=O)(=O)CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1460775720 SGOKJKVQVBSTLC-UHFFFAOYSA-N 417.572 1.277 30 10 HDEE N#C[C@]12CN(CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1460886001 YYYUNCFQJUYQNA-SESVDKBCSA-N 401.532 1.904 30 10 HDEE C=CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCOCC1 1461425450 OUTYJFNLMHVJFC-UHFFFAOYSA-N 412.483 1.702 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1 1462580375 JWCGPAKPXMLVOW-KRWDZBQOSA-N 410.455 1.892 30 10 HDEE CCC1(Cn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)COC1 1465696357 DPMJRHHZOBLISQ-CQSZACIVSA-N 404.471 1.290 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1466478066 RRHSKJWAMGSDAP-GJZGRUSLSA-N 403.545 1.728 30 10 HDEE C[C@]1(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)N1 1467700477 RAVIQMZHVHREQQ-SJLPKXTDSA-N 410.927 1.521 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CC2(NC(=O)OC(C)(C)C)COC2)n1 1467717961 VJIQFSNNUJBLFQ-UHFFFAOYSA-N 406.483 1.175 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1470304774 WLANIVFCKSMTDV-OXQOHEQNSA-N 405.499 1.851 30 10 HDEE Cc1c(C(=O)N[C@H](CC#N)C(F)(F)F)cc(Br)cc1S(N)(=O)=O 1471959890 IZCXDRJEBBJIHP-SNVBAGLBSA-N 414.203 1.979 30 10 HDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)n1 1472643508 BYCYCNYZODKONZ-UHFFFAOYSA-N 417.491 1.439 30 10 HDEE CN(CCN(C)c1ncc(C#N)cc1Br)c1ccc(S(N)(=O)=O)cc1 1472793700 AAVGTDKKDYHXGJ-UHFFFAOYSA-N 424.324 1.936 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN(CCN(C)C)C(=O)C3)c2C#N)C1 1473607608 YGABAMLMFOUYPR-OAHLLOKOSA-N 417.579 1.779 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](CNS(C)(=O)=O)C2)n(C2CCCC2)c1C 1473777749 WEOCMVQUKASJGK-MRXNPFEDSA-N 421.567 1.901 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 1475308296 HELWAIBYELEZEX-VWLOTQADSA-N 402.469 1.162 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccnc2C)c1 1475365774 YVJSBFAEUFGPNQ-AWEZNQCLSA-N 402.476 1.611 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC1 1475617750 CKTXGPPTYMUPTM-UHFFFAOYSA-N 401.868 1.674 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 1477613317 LNPKTILJOLRDAH-INIZCTEOSA-N 408.524 1.330 30 10 HDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)n1 1492517838 HQAOWSLBBPAJOK-SFHVURJKSA-N 411.510 1.224 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1503773324 RESIQLJBYYMWTQ-FUHWJXTLSA-N 410.478 1.195 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1505146270 SXOUADPCNDHAKH-SFHVURJKSA-N 414.535 1.536 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1507583680 VKNGLTWMZYNSJI-INIZCTEOSA-N 421.509 1.977 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)NC1CC1 1507609794 BOPPCVYVQOWAEA-UHFFFAOYSA-N 422.537 1.580 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507622698 LDBKCNHBUIPXBT-JFIYKMOQSA-N 407.584 1.901 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1507668258 ZJPZRSVMXONEEO-MRXNPFEDSA-N 408.462 1.153 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1507675765 FNYPLVGWAPZWBI-ROUUACIJSA-N 416.570 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC 1507765672 SZVUHCYZFJNGAT-OAQYLSRUSA-N 412.494 1.770 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC2CC2)CC1 1507897533 KBCLBIAFLDGTJB-NRFANRHFSA-N 403.527 1.859 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507934623 HYZHVXQOUZZRIB-MRXNPFEDSA-N 416.526 1.066 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1507983110 RXRUWIULLAUAHI-JKSUJKDBSA-N 424.505 1.837 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCn2nc(C)nc2C1 1508093848 KQYOTIHSVVGNDS-UHFFFAOYSA-N 422.493 1.388 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1508095664 QDZAENYOVSPQCZ-UHFFFAOYSA-N 412.542 1.821 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](OCC)C1 1508137953 UJNCDZCEDLIDHY-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS[C@@H](CC)C1 1508140628 JCXYPHNGAPUKTL-UONOGXRCSA-N 413.569 1.162 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCO1 1513575962 DZZRRLMFMZBDOA-LJQANCHMSA-N 403.508 1.867 30 10 HDEE CC(C)[C@H](C#N)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1528204357 VIDZLVWXYLMSSL-VBKZILBWSA-N 411.499 1.999 30 10 HDEE N#Cc1csc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)n1 1536598770 MWPNERKWQCLVAT-UHFFFAOYSA-N 414.559 1.744 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CCO2)cc1 1536666053 QFTJJLFFDXETDY-VQTJNVASSA-N 403.438 1.977 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCOC 1539004568 MCTYDTXJDMFEAY-OAHLLOKOSA-N 409.494 1.630 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1539013739 JRRVYKKNBCIEBB-RWMBFGLXSA-N 408.446 1.606 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1539089748 QPAVIQMDTSCKJU-UHFFFAOYSA-N 414.535 1.854 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C1CCC1 1539161443 DZURMHVKZQSYOA-UHFFFAOYSA-N 419.493 1.297 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230328 LVUKAOOTFIMDTH-JCGIZDLHSA-N 416.551 1.422 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1nnc(CC)s1 1539259573 GGHVWZGDRBRONW-UHFFFAOYSA-N 409.475 1.541 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCOC)C1 1539489235 JGKZFHKUHAOKKG-QGZVFWFLSA-N 421.567 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1539533450 QRQMTBCHKOOIFF-PGRDOPGGSA-N 416.570 1.765 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539621792 SRLOLORWAIBYBF-WDYCEAGBSA-N 402.543 1.357 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(C)(=O)=O 1539634559 BIHRXNKDDDHIBX-PKOBYXMFSA-N 419.551 1.726 30 10 HDEE CN(c1cccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1)S(C)(=O)=O 1539819837 SZYWFXZKVCHPFB-IBGZPJMESA-N 409.508 1.960 30 10 HDEE CN(C)C(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1540599744 KNGLRKBBOICNGQ-UHFFFAOYSA-N 403.435 1.755 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1540777789 LZTREOKEJZVHTR-GFCCVEGCSA-N 414.325 1.651 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540854783 CTKXVVZPQZBAII-PBHICJAKSA-N 405.524 1.589 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1540870396 MJJKVSGRCLRARA-UHFFFAOYSA-N 401.515 1.232 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC1CC(F)(F)C1 1540877025 IOERGAWBWRKYFR-HOCLYGCPSA-N 413.469 1.786 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1542226512 ARZMMSRTOJCDLV-GOSISDBHSA-N 404.478 1.887 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1544196438 NZXNWOYGDHYVSS-OAHLLOKOSA-N 401.529 1.176 30 10 HDEE CCCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1547074667 QKZOBHHDUBKVKR-CRAIPNDOSA-N 412.560 1.835 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1554124717 GCTWYRVJRMCIOT-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1555524943 LKFFTPZAUPPSMI-OALUTQOASA-N 423.521 1.110 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555775040 WPWAEOYAHJKJJM-UFOSLELVSA-N 409.450 1.092 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)cn1 1556465288 AHSUBNSVTWIFSJ-INIZCTEOSA-N 400.504 1.867 30 10 HDEE O=C(CCN1C(=O)COc2cc(Br)ccc21)N[C@H]1CCCN(O)C1=O 1556782835 UHTYRTCJGXFXLI-NSHDSACASA-N 412.240 1.061 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1557580530 UHGPJDBQMDTPMM-MSOLQXFVSA-N 401.463 1.092 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@@](C)(C(=O)OCC)C2)CCCN1C(=O)OC(C)(C)C 1558003723 MDIBVELISVFKTP-NHCUHLMSSA-N 408.495 1.960 30 10 HDEE COC(=O)[C@H]1CN(C)CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C1 1559915817 BDYRQUWMBPVVKF-MOPGFXCFSA-N 400.523 1.975 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)NC3CCN(c4ccccc4C#N)CC3)C2=O)cn1 1564123643 IAVVOGQEFKQWDB-SFHVURJKSA-N 407.478 1.365 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2n[nH]cc2Br)s1 1585537627 FSCMAYMDFYFENN-UHFFFAOYSA-N 419.326 1.557 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 1586009176 ARXFURLNEHGLSM-ZDUSSCGKSA-N 401.492 1.559 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)N2CCCc3nc(C#N)ccc32)c1 1586390158 SSVSLTYQNPDMGU-UHFFFAOYSA-N 418.500 1.963 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1586497332 RGLPOPNODXQQSV-UHFFFAOYSA-N 404.942 1.865 30 10 HDEE N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1Cl 1586522498 HSAVVHDNENVLNM-HUUCEWRRSA-N 406.847 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C2OCCO2)c1 1587663201 UTCRDSNHEQCJCK-MRXNPFEDSA-N 409.490 1.952 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1587909487 MBAGYKLFMDIYNQ-OAHLLOKOSA-N 421.498 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C1CC1)N(C)C 1588159420 WFPDLNMGDVRFEX-KRWDZBQOSA-N 410.547 1.683 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1588266522 RSXBRXHNYYKURM-DLBZAZTESA-N 410.588 1.468 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 1588647326 URYLWDFDOHPAGT-INIZCTEOSA-N 423.514 1.319 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCSC2)CC1 1588930337 SVCFBVLXBBGTGI-AEFFLSMTSA-N 417.579 1.891 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589581581 SSXFJOPPFIZGIZ-OKYOBFRVSA-N 419.526 1.452 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1594753106 WZWXIZHGZYGPKH-UHFFFAOYSA-N 416.570 1.915 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCSCC2)C1 1595723398 VZOOJDOFHVTVHK-CVEARBPZSA-N 406.556 1.059 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2ncccc2F)CC1 1595766855 ZASLBSOTHCUVGB-UHFFFAOYSA-N 409.487 1.769 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595900602 GTAODUAIACIQLL-INIZCTEOSA-N 422.555 1.500 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CCO2)cc1 1598184753 CTMVJXXHFABHRH-FQEVSTJZSA-N 416.437 1.730 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCCC(=O)Nc2ccccc2C#N)C[C@@H]1C(=O)OC 1607288646 JSXPSMMRLBHQDY-GASCZTMLSA-N 401.419 1.088 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc([C@@H]3CCCCO3)n2N)c1 1613571168 RRVNECPMVLOOCS-AWEZNQCLSA-N 400.464 1.655 30 10 HDEE C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1616933410 REHADWZXAOPEOY-TZMCWYRMSA-N 406.401 1.406 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1618514515 ICAIOSORANSMDD-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)c1 1619122911 AJXYTKFPFQHRAT-ZDUSSCGKSA-N 422.511 1.107 30 10 HDEE COc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CC(=O)NCC(F)F 1619406893 HJAFHHIUFQCVJK-ZDUSSCGKSA-N 406.437 1.997 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(O)cc1 1620110879 DNHPHAZJZKUVEX-UHOSZYNNSA-N 413.478 1.679 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 1624835907 CIHVXHHYOJPYEQ-UHFFFAOYSA-N 413.434 1.881 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@@H]1CNC(=O)C1 1625643084 GBIYDKOAFAWOQW-NSHDSACASA-N 410.268 1.741 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)cc1 1627429938 YJLPVHQLXCHVLI-SFHVURJKSA-N 401.444 1.628 30 10 HDEE CN(Cc1ccc(S(C)(=O)=O)cc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1628558296 MRLAPRZQODFWOB-UHFFFAOYSA-N 424.475 1.799 30 10 HDEE C#CC[C@@H](NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)C(=O)OC 1629617461 PZOKWTLBSDIIKW-CQSZACIVSA-N 407.348 1.854 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(C)(C)CN2CCOCC2)c1 1630351378 NJIPXXXSYMIICS-PYCFMQQDSA-N 422.551 1.796 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1630864119 FBRLLKIQXPJQCF-JXXFODFXSA-N 410.536 1.530 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@@H](CCN2C)C1 1632307618 YMXJXZXEIGKEEL-RYQLBKOJSA-N 418.563 1.837 30 10 HDEE CN1CCOc2cc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)ccc21 1633656124 BUIJTBCBPXEXER-UHFFFAOYSA-N 414.487 1.973 30 10 HDEE C=CC1(CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1634252891 ZHUDULXDDBBYIL-KGLIPLIRSA-N 411.499 1.372 30 10 HDEE CN(C)C(=O)COC1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1635102027 LPFOFUFSVJXJHN-DBWCEAHUSA-N 420.510 1.089 30 10 HDEE CCC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1637176360 ZXMCYDGIEFSTHO-HNNXBMFYSA-N 409.508 1.743 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1639072428 DNSLBTVFLSYHOU-HXUWFJFHSA-N 405.462 1.839 30 10 HDEE N#Cc1cn(CC(=O)NCCCCc2nc(-c3ccccn3)cs2)c(=O)nc1O 1639265103 CKWUVOHIVFJEMJ-UHFFFAOYSA-N 410.459 1.478 30 10 HDEE C#CCN(CC(=O)N1CC(C)(c2nnc(C3CCOCC3)o2)C1)C(=O)OC(C)(C)C 1641804344 SXJDRTYSPIOCJO-UHFFFAOYSA-N 418.494 1.934 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1642431268 ZMGKEUJJFZQHIV-QGZVFWFLSA-N 424.314 1.566 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NOc2cccc(C#N)c2)cc1 1648725994 CAFXDQJHRBGNPG-UHFFFAOYSA-N 402.432 1.247 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)n(Cc2ccco2)c1C 1654478391 QJNNOIRKVCGKPX-VXKWHMMOSA-N 423.473 1.541 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1F 1655648694 FFYQBWLQDRRDAE-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@](O)(Cc3nc(CC)no3)C2)c1 1659490641 XBBKFGPFCLUQFO-OAQYLSRUSA-N 411.462 1.331 30 10 HDEE COc1ccc([C@@H](CNS(=O)(=O)CC(C)(C)C#N)N2CCOCC2)cc1OC 1661255134 HRLZXXXLZWKDKL-MRXNPFEDSA-N 411.524 1.546 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OCC)CC1 1667444805 CJDDNAQELNSKIW-UHFFFAOYSA-N 409.508 1.718 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1672054641 GFMNOWIEJSZEFV-KGLIPLIRSA-N 405.879 1.790 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(C)C 1675963047 BUSLMLDLSXIPKW-QGZVFWFLSA-N 400.483 1.085 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1681829757 NCANRZSQZXGXJB-NHYWBVRUSA-N 416.272 1.668 30 10 HDEE Cc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1681969679 POEGEHVYOBDXHP-FCEWJHQRSA-N 402.476 1.068 30 10 HDEE COc1cc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)ccc1C#N 1682153982 NQLAUFMWUHCZJH-OAHLLOKOSA-N 401.444 1.601 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(-n2cccn2)c(F)c1 1686556368 MERHHRRLIPWGFQ-GFCCVEGCSA-N 423.408 1.473 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1689937360 XVCMQUIUIFRUQE-GJZGRUSLSA-N 412.519 1.398 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1689944689 XXKNJNWSXZCKOG-IBGZPJMESA-N 403.870 1.082 30 10 HDEE C#CCN(c1nnc(CC)n1CC1CCN(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1689992807 PAIUDKUZWYYLIH-GOSISDBHSA-N 405.568 1.342 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CSCCS2)n1 1690107754 ATXSKXISWDHMFS-KRWDZBQOSA-N 406.581 1.918 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2Cc2cnn(C)c2)CC1 1690133539 KPHXXMPNFWMPKG-UHFFFAOYSA-N 409.469 1.533 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)[C@@H](C)CC 1690189776 BMFMWZDSUCJEAN-FRQCXROJSA-N 410.588 1.611 30 10 HDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N(C)CC(=O)N1CCOCC1 1690219530 GUYNWSJIBQSKGM-LBPRGKRZSA-N 400.321 1.995 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690309617 FOKCMNWHBOMWAW-IIBYNOLFSA-N 419.526 1.596 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1690533637 QDAIMGMUOQWFAH-UHFFFAOYSA-N 416.501 1.783 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2OC)C1 1690669294 ADYZIURHFVYDLL-RDJZCZTQSA-N 424.505 1.534 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@@H]21 1690714562 OWIDNYWEHARBPK-GJZGRUSLSA-N 416.507 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690719409 LVJHLQKFDFBHSV-LJQANCHMSA-N 419.507 1.306 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1690726793 LSTMKCZVEQMOGT-MRXNPFEDSA-N 419.551 1.868 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690743464 AGMFIVZTRPPZRH-MOPGFXCFSA-N 420.627 1.917 30 10 HDEE Cc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693508502 AAOQANBRTJFNEC-OZNQOIHVSA-N 400.483 1.366 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1696861421 DXRDSVIFIKDYBB-HNAYVOBHSA-N 417.539 1.633 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1=O 1696886023 VNKIIZANGGPOAL-QFIPXVFZSA-N 423.521 1.063 30 10 HDEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1698003011 HIDMKPBEUCAURA-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728315 GEXQFWJAIPWBAF-FXAWDEMLSA-N 407.515 1.236 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705734060 BUKKBNDIYRPXCJ-SFHVURJKSA-N 415.542 1.430 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1705736817 DKOYHPHFOOHZCZ-SFHVURJKSA-N 401.515 1.883 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705807115 TYUWAAIPRFFQHH-GJZGRUSLSA-N 410.544 1.056 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](COCC)C1 1705906075 RCZYRPCOVYNDOI-HNNXBMFYSA-N 404.540 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1705936409 QFZJAIXZLHNLKW-MRXNPFEDSA-N 407.540 1.903 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1711614095 UZBJXKNXOYTMEO-SFHVURJKSA-N 413.478 1.759 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1722368694 UYWTXNCFQUYHJV-IRXDYDNUSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1722379017 DPTORDPTVDVVFH-LJQANCHMSA-N 407.499 1.857 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(C)COCCO2)CC1 1722435915 RGBVDFMWWQQUMB-JOCHJYFZSA-N 411.506 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2C[C@@H]2C)CC1 1722440733 HYWHOHIMITXKIS-RDJZCZTQSA-N 414.554 1.818 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722627857 OWMRQSDTMKBPLP-IRXDYDNUSA-N 418.542 1.563 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722672080 JSONTQXAPHUFNX-FOIQADDNSA-N 419.551 1.370 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCOCC1 1722681350 KBWMVJHZHGDHBT-SFHVURJKSA-N 407.559 1.922 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C)o1 1722690135 GALVWLFZXPLHFC-UHFFFAOYSA-N 409.450 1.765 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCC(=O)N2CCOCC2)C1 1722714015 FNPZNWSBUXHGNM-LJQANCHMSA-N 411.506 1.975 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCSC2)C1 1722723094 WBIHULHGOHXEKA-PXNSSMCTSA-N 401.536 1.913 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)N(C)C 1730945514 XWDJSTYLMBJSFG-WMZOPIPTSA-N 404.515 1.610 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCNS(C)(=O)=O 1740557491 LCCVLHKMIOGVNG-KRWDZBQOSA-N 419.551 1.871 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1740617099 LZLYSZCAIYGRFP-MRXNPFEDSA-N 404.492 1.279 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1740617790 XJCZZTRHEYNZFS-INIZCTEOSA-N 405.524 1.876 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](F)COC 1740681378 JCBIJALLKQPBIR-INIZCTEOSA-N 404.442 1.787 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C(C)C)N1CCOCC1 1740685509 NSYAOQNDYFPRNS-WOJBJXKFSA-N 419.570 1.615 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC(C)C)N(C)C)CC1 1740698553 XCTWGDQBOMOKEP-NRFANRHFSA-N 409.582 1.995 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1740714975 PPHVLYQRXIUTTE-UHFFFAOYSA-N 413.551 1.977 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1740940499 IJHFGLOHXUHGKG-HNAYVOBHSA-N 408.572 1.305 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740947719 BQKZJNLBXFTLBE-INIZCTEOSA-N 400.508 1.716 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740957724 YPPOWDSGFUQOPE-WMZOPIPTSA-N 413.526 1.122 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC1CC1 1741131966 FDDFIRMGZVCVSA-HNNXBMFYSA-N 406.494 1.639 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747864352 XJWXJLKHBNSVDW-LZICOFPGSA-N 414.510 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1748672563 VDBIWRCMQPGAJH-DLBZAZTESA-N 407.584 1.903 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1748772475 WIIIIIPPSHFQPG-UGKGYDQZSA-N 418.586 1.414 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1748913420 VILQHHWLWBDAGD-GHTZIAJQSA-N 403.527 1.648 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1749557463 JQYMSJPFSJYVDN-GOSISDBHSA-N 400.527 1.951 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2C)C1 1749698335 TYDGKAGPLBXGRA-RXVVDRJESA-N 416.526 1.802 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H]2C)C1 1749713201 PYEZDVZXZASDCL-KZNAEPCWSA-N 423.583 1.446 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1750532936 FXSXUCKNSJRWOZ-HXUWFJFHSA-N 415.519 1.603 30 10 HDEE C[C@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CC1 1751247843 FDBGULNWFHLTHK-VFNWGFHPSA-N 410.478 1.201 30 10 HDEE C=CCCOCC(=O)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1757673719 KDRHXRVSTAUETK-IYWGDAJJSA-N 404.507 1.221 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1760103754 LLHUCOQOMTWQPP-CQSZACIVSA-N 420.495 1.639 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1760113401 UMYQLCQEGPBYAJ-GDBMZVCRSA-N 403.508 1.196 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1760115784 BOHHIWSGXJNYLH-DOTOQJQBSA-N 401.536 1.752 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(-n2cccn2)c1 1760248691 CNWBUXGHWMADHQ-LJQANCHMSA-N 421.505 1.887 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1760259444 BKUMSQNQYDCLFA-FHWLQOOXSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCc2cn[nH]c2)CC1 1760264511 QSCMWOYHYFAIPV-UHFFFAOYSA-N 421.505 1.587 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760347726 RRQQMPYOTZPTJX-QGZVFWFLSA-N 402.543 1.965 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760373789 BUYRGUCZFRXDNB-UONOGXRCSA-N 411.919 1.366 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)C 1763253909 XABXDQLOSQXWCV-SJLPKXTDSA-N 423.521 1.490 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1768146176 OABKIVGWLLIBRP-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1770788145 FNTNLZYOIJFCAS-KDOFPFPSSA-N 415.408 1.347 30 10 HDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CCCc4nc(C#N)ccc43)cnc21 1849805272 RNSRPVRWZVXTBI-UHFFFAOYSA-N 405.462 1.984 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)N2CCN(CCC#N)CC2)c1C 1850845051 BTDYJTBJKFWRRQ-GOSISDBHSA-N 406.552 1.645 30 10 HDEE N#Cc1ncc(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)cn1 1851869644 WGRCBFFBOVOOES-UHFFFAOYSA-N 401.224 1.104 30 10 HDEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1851990631 HQXCPZAZONLRMQ-UHFFFAOYSA-N 404.414 1.283 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1ccccc1F 1852248638 ZUYLRPKTNDGKCR-UHFFFAOYSA-N 412.512 1.458 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ccccc2C#N)CC1 1852289330 WVZKCGUDKUGOLK-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(CCC#N)CC1 1852649693 KVCZRBJIIIDUCU-SFHVURJKSA-N 410.515 1.577 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C(=O)C2)cc1 1854038571 RKEBLJGFEOYYSP-AWEZNQCLSA-N 411.430 1.743 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2csc(-n3cccc3)n2)C1=O 1854175356 NBWOGQNZEPXDHL-HZPDHXFCSA-N 413.503 1.394 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)c(F)c1 1854318375 CWNAYMPTKMAQLF-HNNXBMFYSA-N 412.387 1.895 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCN3CCCCCC3)C(C)(C)C2=O)CC1=O 1854381459 BYACDTHXDJUEDG-SFHVURJKSA-N 404.555 1.346 30 10 HDEE CC(C)S(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1854550965 USGDQAJBOVPKTN-GOSISDBHSA-N 418.519 1.045 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCC(Cn4nccn4)CC3)C2=O)cc1 1854629802 YJJAHUHPQOXIMW-FQEVSTJZSA-N 406.490 1.622 30 10 HDEE CN1C[C@H](CN2CCC(=O)N(C(=O)c3ccnc(C#N)c3)c3ccccc32)CC1=O 1855305290 YIMFBSINZAKMOY-OAHLLOKOSA-N 403.442 1.815 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)COc3ccc(OC)nc3OC)C2)CC1 1855574545 UUWGURWVSCCVPU-INIZCTEOSA-N 403.479 1.895 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(n3cnc4ncccc4c3=O)CC2)CCC1=O 1855751124 KSMJDGJDLCPFKI-OAHLLOKOSA-N 408.462 1.107 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC(Cn4cncn4)CC3)CCC2=O)cc1 1856486063 FLQATHQWVOIDGM-IBGZPJMESA-N 406.490 1.941 30 10 HDEE C[C@H]1CN([C@H]2CCN(C)C2=O)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856616462 XNSATEJVXOOBBY-LIRRHRJNSA-N 403.442 1.813 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cccc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857068977 SHLOQMMCWXAOBL-QUCCMNQESA-N 413.518 1.722 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2=O)C1 1857108540 WIWRACSYDBVCJR-CJNGLKHVSA-N 404.417 1.969 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)n1 1857116528 IZMDDONIHZEDCZ-ZWKOTPCHSA-N 412.490 1.456 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(CC(=O)C4CC4)CC3)CC2=O)cc1C#N 1857222968 YMOQJCRKZUSGNO-KRWDZBQOSA-N 408.502 1.452 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3cnc4ccccc4c3=O)C(=O)C2)cc1 1857384297 HPLJCNGFRKLDQA-UHFFFAOYSA-N 401.426 1.139 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(O)cc(-c3cccnc3)n2)CC1 1858569308 DGDZWMHUNJBDOY-UHFFFAOYSA-N 422.470 1.627 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cc(OCC)c(OCC)c(OCC)c1 1861490114 MGWUXJZFIXGGSI-HOTGVXAUSA-N 406.479 1.760 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cnccn1 1862040288 UQBMVPMKGMRLFN-IBGZPJMESA-N 408.458 1.944 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)c1ccc2c(c1)C(=O)N(CCCN(C)C)C2=O 1868610827 MLKNUZWOECFXOO-UHFFFAOYSA-N 412.490 1.165 30 10 HDEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870386951 KFXRENIPCXJQHP-UHFFFAOYSA-N 411.506 1.266 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1cccc(O)c1 1874294995 DRQNIWBFFRZJDP-KEBDBYFISA-N 412.431 1.942 30 10 HDEE N#C[C@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1883411901 WWNQCFVMXRIZLU-OALUTQOASA-N 404.470 1.353 30 10 HDEE COc1ccccc1OCC#CCNC(=O)C1CCN(S(=O)(=O)C2CC2)CC1 1889689451 KISAHBGBCPAWHN-UHFFFAOYSA-N 406.504 1.398 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2141600783 XGLDOGLOHOVYRK-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE COC(=O)CS(=O)(=O)N(C)Cc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157042589 YJHWJFMKVGJOFG-UHFFFAOYSA-N 403.331 1.290 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC(COCc2ccccc2)(C(=O)O)C1 2243732052 NQMPNKSLYBWVPD-UHFFFAOYSA-N 404.282 1.828 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1 2247827081 FGBKKZBNWVPPLB-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247919537 WTCYYTPPEKNOQI-GXTWGEPZSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2248404716 OIHPKUHROBJGEK-UHFFFAOYSA-N 421.347 1.727 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2250109638 XMKRXQMAEIIJGI-UHFFFAOYSA-N 419.331 1.799 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CCO)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282321474 XNTXOZZWRKENGO-SNVBAGLBSA-N 411.301 1.650 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)[C@H](F)C1 2282325680 IHPZKYIOIXUZDU-NEPJUHHUSA-N 405.322 1.449 30 10 HDEE CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333485 PGLDYULENZPHIV-NSHDSACASA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](CCN)C2)OC1(C)C 2282493089 RORODUNJCXGATG-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282496713 GMBJYWPDVHAFSV-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE C[C@@H]1COC[C@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504696 SILGPUIDOPPPRU-DGCLKSJQSA-N 402.347 1.239 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@H]2CN)OC1(C)C 2282505572 GDTRUHIEHNBQRA-GXTWGEPZSA-N 400.375 1.594 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2282509159 HFFLQDINXGMKRA-JTQLQIEISA-N 408.301 1.859 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282509215 IDYDPQOVIWLMQD-LBPRGKRZSA-N 403.379 1.202 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2(CN)CCC2)OC1(C)C 2282511755 OHDXLQWPHCURLX-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@H](CO)CO3)sc2Cl)OC1(C)C 2282611260 IVHARVIQHBHXBM-MNOVXSKESA-N 401.721 1.828 30 10 HDEE COC1(CCNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CNC1 2282636160 JFZTZPOEXORDJU-UHFFFAOYSA-N 400.737 1.809 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)[S@@](C)=O 2282825292 ISYYSHOKCDBHMJ-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@H](O)C1 2282829210 BICIPQQFMUJUCZ-STQMWFEESA-N 401.359 1.938 30 10 HDEE Cn1c(O)cn(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)c1=O 2282829993 NSIHQSQTEUAONH-UHFFFAOYSA-N 420.705 1.144 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846114 DRXAIZSWJOLQME-VWLOTQADSA-N 424.375 1.016 30 10 HDEE CN(C)[C@]1(C)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282851982 JTFRCOBZJBNXJT-QGZVFWFLSA-N 400.375 1.762 30 10 HDEE C[C@H]1C[C@@H](C)NCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282854644 UPMUNEXXNWATRV-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE C[C@H]1CCS[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854908 XHOAGBDZHXCLRT-WCQYABFASA-N 401.363 1.139 30 10 HDEE CC(C)(C)[C@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882732 PWVIOTCJGPLLRC-ZDUSSCGKSA-N 403.375 1.874 30 10 HDEE CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284397606 NVOQRVCPOSIWAC-PHIMTYICSA-N 401.315 1.531 30 10 HDEE CN(C)c1cc(C[C@H]2CN(c3ccnc(C#N)c3)CCN(C3CCOCC3)C2)ncn1 2296587092 QAGRUVYZKBADRW-GOSISDBHSA-N 421.549 1.969 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)nc2)CC1 2297736933 ILZUZNBQWSOLDI-HLAWJBBLSA-N 423.561 1.863 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1 2300231639 ZEZKJMPGCQYBQZ-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@@H]1C[C@@H]2CSC[C@H](C1)C2=NO 2318611146 DOPHBDPDWYPXFZ-CLLJXQQHSA-N 423.516 1.174 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)C=C(C)c1cccc(S(=O)(=O)N(C)C)c1 2331343101 TYPGVNJIXFUAFN-UHFFFAOYSA-N 405.520 1.657 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336232363 PLCOXDRTJOEKLO-CABCVRRESA-N 402.582 1.801 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2338637885 MFXPVHPWDIXKDG-UKRRQHHQSA-N 400.522 1.356 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2365209394 VLAUNFSHVOPLIZ-CABCVRRESA-N 404.573 1.845 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367785786 FQFWRYGHGMLJHF-HRCADAONSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1 2367786299 IAFCYXYYYJADMH-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE N#Cc1ccc2ncc(CNCc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2c1 238037799 XPGCIUJOHXISPY-UHFFFAOYSA-N 411.487 1.517 30 10 HDEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1ccncc1)n2CCOc1ccccc1 254865782 UQPYGRMHNIPLOH-UHFFFAOYSA-N 405.418 1.756 30 10 HDEE COCCN/C(=N/N)Nc1cc(I)ccc1Br 306013791 SBSCQKNFUJIJCT-UHFFFAOYSA-N 413.057 1.931 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NC1CCC(CN(C)C)CC1 460690519 QPFBSPOZPTVJCX-UHFFFAOYSA-N 409.494 1.623 30 10 HDEE Cc1oc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1S(=O)(=O)N(C)C 461282052 DCUJISLCYNLAGN-UHFFFAOYSA-N 400.420 1.543 30 10 HDEE COc1cc(N2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)ncn1 461348929 BSJOWCHYYLRWEP-BQIYRTECSA-N 400.527 1.927 30 10 HDEE C=CCOc1ccc(C(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1OC 474464698 SDSBHSVGKCPDQP-UHFFFAOYSA-N 411.476 1.500 30 10 HDEE COc1ccc(C[C@@](C)(O)CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 489878907 YQAPZOYNZUJOAB-LJQANCHMSA-N 405.476 1.551 30 10 HDEE CS(=O)(=O)C1(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCOCC1 498986558 SPSUMLLHVFBTJP-UHFFFAOYSA-N 408.867 1.930 30 10 HDEE C=CCCO[C@H](C)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 505840011 OBEXYXZGEUJPPE-MSOLQXFVSA-N 403.527 1.349 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 508829467 ZGQZZVSPKHNEPD-OAHLLOKOSA-N 411.553 1.803 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(CCCN2CCOCC2)CC1 508930264 KORVLTCGHKFLSN-IBGZPJMESA-N 405.543 1.881 30 10 HDEE Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(-c3ccccc3C#N)cc2)c1 537997535 IEVUCMJVMLTIRS-UHFFFAOYSA-N 409.471 1.553 30 10 HDEE COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 539503771 OITKYWLOGASURZ-ZDUSSCGKSA-N 418.479 1.533 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccccc1C#N 539769946 CWRFWFBJAQQOEA-UHFFFAOYSA-N 418.453 1.467 30 10 HDEE C=C(C)CN(Cc1ccccc1)C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 552802557 AAAHXCYZAYVXGJ-HXUWFJFHSA-N 414.550 1.650 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccc(F)cc1 557456748 UEGFRQYLJQNFTP-UHFFFAOYSA-N 415.396 1.565 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1C[C@@H]1CCCO1 560429212 JUEKZTKIEOGPAK-HNNXBMFYSA-N 409.467 1.084 30 10 HDEE C=CCN(CCc1ccccc1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 561893893 NJRZVBHEFLJWPT-UHFFFAOYSA-N 408.502 1.792 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CC(N)=O 567460618 UBYNKPCKADWSCD-UHFFFAOYSA-N 417.556 1.482 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)O 569301944 BEZLYHOIFWJFKD-UHFFFAOYSA-N 417.443 1.902 30 10 HDEE COc1cc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)ccc1C#N 577994486 HOVTWIKKVKQGAL-UHFFFAOYSA-N 421.501 1.710 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)C2)cn1 610404744 WUNAFPBNTDHVKF-MRXNPFEDSA-N 424.509 1.658 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@](F)(C#N)C3)nnc12 615824315 GGVZZDSOUBUCQI-IBGZPJMESA-N 412.450 1.786 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CC1CCN(S(C)(=O)=O)CC1)NCC 691246885 VIDKBOLZDPSHLP-DLBZAZTESA-N 401.573 1.943 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1ccc2c(c1)OCO2 728273507 LCVATJKMISFNTR-HNNXBMFYSA-N 413.455 1.818 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)c1 731128946 MNDLRGRUTFBELO-UHFFFAOYSA-N 409.442 1.960 30 10 HDEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731862305 CFQOQKWWKZXKDL-XENKUQMPSA-N 412.490 1.782 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)CCN1C1CC1 732706232 LLEWPAIAVNZVSV-KRWDZBQOSA-N 406.490 1.900 30 10 HDEE CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706755 NZACFVMGTGJOSL-INIZCTEOSA-N 420.897 1.893 30 10 HDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740175145 ALSLHBQMFGNGPP-IBGZPJMESA-N 416.455 1.993 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 740478426 GWQXQHCTIPLNEO-VUAZUDAXSA-N 417.853 1.271 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744440547 LMWBJBMMKAKWTC-UHFFFAOYSA-N 424.534 1.535 30 10 HDEE C[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 750050435 KJHJOUJJDDLUST-NVAYWJMMSA-N 422.485 1.194 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(Cl)cc1 760832608 FBJSGOJVBGCJJF-ASBLKLPYSA-N 417.897 1.911 30 10 HDEE C#CCN(C(=O)NC[C@@H](CC)N1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 774170964 JTPOSILUIPQRKW-WOJBJXKFSA-N 403.548 1.655 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 774264037 SDCZNWLQKNQLLD-ROUUACIJSA-N 403.504 1.010 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(C)(=O)=O)c(C(F)F)c1)[C@H]1CCS(=O)(=O)C1 776038783 JNRJOMZTFPCVDL-LBPRGKRZSA-N 420.459 1.682 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 780206115 QEWOXZSEPVDQCX-DQLDELGASA-N 407.470 1.914 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1c(N)cccc1I 780281582 WMLBROXYOPFOGS-UHFFFAOYSA-N 403.176 1.042 30 10 HDEE N#Cc1ccc2ncc(CNc3cccc(S(=O)(=O)N4CCC(O)CC4)c3)n2c1 785555854 QGXSXAGKELLLMO-UHFFFAOYSA-N 411.487 1.963 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)CC2)cn1 786909180 LEJIPJGOAFWJNJ-UHFFFAOYSA-N 402.867 1.765 30 10 HDEE C#C[C@H](CCC)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 791746171 YBFXLHNWMHRFRX-CYBMUJFWSA-N 415.309 1.721 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 794910116 DVIMWTXCEGXQLC-QZTJIDSGSA-N 407.401 1.547 30 10 HDEE C[C@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 798740836 CTHHMBREESIBCG-YVPRPTMESA-N 414.466 1.437 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1)n1cnc(C#N)n1 798746031 YAEAOVJZHWKUHS-KFWWJZLASA-N 412.450 1.506 30 10 HDEE C[C@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCNc2ncccc2C#N)C1=O 804144844 QZYVYADNLDKGNW-LJQANCHMSA-N 413.459 1.236 30 10 HDEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 804370494 PWVIBFSVYNMAHA-BXUZGUMPSA-N 419.425 1.684 30 10 HDEE CCS(=O)(=O)c1cccc(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 810517828 VYZNAXKUIJGHHM-UHFFFAOYSA-N 406.485 1.541 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(F)c1 856532372 FDIQDYWDVKKDMQ-UONOGXRCSA-N 406.414 1.376 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cccc(C#N)c1 919931381 XGXCSVQTMNERFY-UHFFFAOYSA-N 422.507 1.258 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1nn(C)c(C(F)(F)F)c1Br 1127461153 AJHBGAWMDSCRFN-UHFFFAOYSA-N 404.208 1.532 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1134052668 LZRPFGUXJHPXDG-VBHSOAQHSA-N 407.879 1.090 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1134203816 VNRYVNKRWLAINA-LLVKDONJSA-N 401.282 1.735 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1136107059 AUPIFRHVTYQVJZ-OAQYLSRUSA-N 415.494 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 1138140867 KBNVNYAFCWBDIV-UHFFFAOYSA-N 417.485 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCCC(C)(C)[C@@H]2C#N)C1 1140097950 YYDWYMLYOLLUIF-CABCVRRESA-N 413.540 1.951 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1S(=O)(=O)NCC#N 1141488467 WPZUQQYEBKEXBH-QGZVFWFLSA-N 405.451 1.269 30 10 HDEE CCNC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1141653215 ARSKMTXWYKGBAT-UHFFFAOYSA-N 403.435 1.803 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1144923534 QKVCFIVLIHFKIW-JFIYKMOQSA-N 422.547 1.866 30 10 HDEE COC(=O)c1ccc(F)c2c1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 1147453164 XFQYOETYEIQLCF-HNENSFHCSA-N 401.394 1.414 30 10 HDEE O=C(c1cn(Cc2cccc(F)c2)nn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802202 LUKKDTAXCSJCFH-UHFFFAOYSA-N 423.404 1.983 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCCOc2cccc(C(F)(F)F)c2)CC1 1170324349 NPRPIDADUWMXJW-UHFFFAOYSA-N 413.396 1.979 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@]2(C(N)=O)CCOC2)cc1 1171571775 BLGACVDOGQBXFA-OAQYLSRUSA-N 411.462 1.147 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1177114458 YSINOAWUIKHTHF-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1179656861 XFOIFKXYDTVJIY-SUMWQHHRSA-N 415.487 1.122 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1190265167 PHQWZHWJSCCCPK-SECBINFHSA-N 405.270 1.385 30 10 HDEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1208723074 KWXXTDKNBSZQFV-ZDUSSCGKSA-N 402.490 1.770 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C)O1 1233854123 UYBKCZAXXAYENK-NQNKBUKLSA-N 409.531 1.542 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCCO2)cn1 1251446265 LBEPXIBJQZNCOR-NRFANRHFSA-N 412.469 1.968 30 10 HDEE N#CC1(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CCOCC1 1256341718 PXRVVRVKXZLKPK-HNNXBMFYSA-N 412.446 1.013 30 10 HDEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cnc(C#N)n2)c1 1271805997 GZSBFTITKXIVFG-MRXNPFEDSA-N 414.466 1.411 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393068 JJFSODDSJLJBTL-ZWKOTPCHSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1286417204 YIMAEFGUFQZGSK-UHFFFAOYSA-N 411.487 1.236 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)cc2F)CC1 1286469879 NJXZWUULSCTOGD-UHFFFAOYSA-N 402.449 1.498 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2-n2cccn2)CC1 1286488677 QPOASLULSHPUPM-UHFFFAOYSA-N 403.490 1.786 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@H]2CCOC2)CC1 1286492001 CFZZBYRNPASUSU-PKOBYXMFSA-N 415.538 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCS(=O)(=O)C1 1286519700 ZZAIJGLJCUCCOX-SQGPQFPESA-N 424.567 1.819 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC)C2)CC1 1286652351 WGHDIGWNTNAMJX-WBVHZDCISA-N 410.588 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN2CCCC[C@H]2C1 1286820528 MVCNLTYOMBQRQI-ZWKOTPCHSA-N 423.583 1.795 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCOC1CCOCC1 1290865371 QAVXHWUPYXNREZ-UHFFFAOYSA-N 411.510 1.766 30 10 HDEE COCCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1296941389 ZLYXSJLVJFGCDV-FXXCCUJSSA-N 400.479 1.510 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1298659819 BTLPKYLRVBOGOM-LJQANCHMSA-N 421.476 1.832 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1299249539 BZWFTDAIWCUBRS-SFHVURJKSA-N 423.521 1.506 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1 1299264260 AONHHDDWUDCBCG-YDZSZYSISA-N 407.488 1.701 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1300320913 JJQUJCFYFMXYBC-QGZVFWFLSA-N 417.535 1.393 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)C(C)(C)C 1300432610 MBAZSOHOLZYSBW-UHFFFAOYSA-N 404.496 1.208 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1300473432 WOQZQEYDDNESNF-KRWDZBQOSA-N 402.520 1.978 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300504142 KBSMUNWZLBGAAA-QKLQHJQFSA-N 422.551 1.571 30 10 HDEE COc1ccccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(C)=O 1300510452 QQLLEOLBJZUKQO-GOSISDBHSA-N 423.521 1.656 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1300611990 PQCPXKFUFYCHPW-UHFFFAOYSA-N 407.301 1.800 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nnn(C)n1 1300654432 XDGVZTQRILZZCF-KRWDZBQOSA-N 424.509 1.693 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300871858 DDCUEFOFVVONNV-WCVJEAGWSA-N 419.482 1.512 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCn2cncn2)CC1 1301072158 DYXXUGLXNVOFFK-UHFFFAOYSA-N 413.507 1.797 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1301124207 HKGAJDLKFGXSJG-MSOLQXFVSA-N 424.567 1.778 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301197613 VZOVCLZBUNGTLM-GJZGRUSLSA-N 407.544 1.582 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1301289396 DTDRCPSJFXOZGD-LJAQVGFWSA-N 412.519 1.725 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1302293355 LCFZZXBCIQGLJX-KNBMTAEXSA-N 414.514 1.801 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCC[C@@H](O)C2)cc1 1302991190 DJEGULRNSGLOJV-FUHWJXTLSA-N 415.519 1.603 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCCCCO)CCN1C1CC1 1303003568 ILDKQLKYRCRZGW-HXUWFJFHSA-N 409.538 1.993 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1303900295 OILBBHGZEUYMGJ-QGZVFWFLSA-N 413.503 1.507 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1304722818 CSUYKPSENSPZFX-QGZVFWFLSA-N 404.478 1.527 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1310260774 YINXPVWGLIUATF-KRWDZBQOSA-N 404.536 1.890 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1313493385 YARZTUOHXFTHNV-IRXDYDNUSA-N 407.478 1.058 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1314553976 YUXBDBXVBNAAOJ-SFHVURJKSA-N 406.487 1.716 30 10 HDEE COCC1=CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1315866833 BNPSLWVVEQWJTB-VXPUYCOJSA-N 414.510 1.786 30 10 HDEE COCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1316045244 JQZQHHFHVHNUGS-QGZVFWFLSA-N 414.514 1.406 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 1322380957 OCCRWEFDMGYUIA-LLVKDONJSA-N 411.486 1.599 30 10 HDEE CS(=O)(=O)c1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)ccc1Cl 1353197843 IBNXZVFRRLXDJU-UHFFFAOYSA-N 409.855 1.427 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)[C@H]1CCCN(S(C)(=O)=O)C1 1356183142 VYROPVWLJLHKHU-AWEZNQCLSA-N 411.476 1.787 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N2C)cc1 1356317890 DADFDRQBPHWIBE-WFOVFMPGSA-N 406.508 1.839 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1358896322 BCBKGYFNYIMVQO-GOSISDBHSA-N 411.506 1.791 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358950571 PYHLUDWFZQVWGK-UHFFFAOYSA-N 410.503 1.290 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1359012563 RPUPNNDAQJYDTI-UHFFFAOYSA-N 414.535 1.701 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCN1CCCO[C@@H](C)C1 1359021971 IKZXPFHLPCDOGU-IBGZPJMESA-N 414.554 1.871 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OCC)c2ccccc2)CC1 1359028171 JMBJUBAVICSXLU-FQEVSTJZSA-N 424.549 1.949 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359061993 SLNNDFLXDDOGSZ-UHFFFAOYSA-N 419.555 1.585 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359062729 QPGRYPXRYVPEII-NVXWUHKLSA-N 403.552 1.991 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1359213728 FDYTWZOYAUSFFU-UHFFFAOYSA-N 402.455 1.860 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1359291234 IXRDJPUJIDHTBD-MHORFTMASA-N 421.542 1.556 30 10 HDEE CC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(Cc2ccccc2)CC1 1439612412 HTXUDYCUIPWWIA-RXVVDRJESA-N 401.532 1.685 30 10 HDEE C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1441893516 QMNZDNRGEJDGKC-DGDAERBZSA-N 408.480 1.715 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1462718145 CYFAPZOHNKFGGO-BEFAXECRSA-N 418.556 1.756 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CNc2ccc(C#N)cn2)s1 1463934689 IAYCXJISYHBKLR-UHFFFAOYSA-N 407.521 1.774 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCCO[C@H](C)C2)s1 1466842151 SXSWIPDAIUYISK-OAHLLOKOSA-N 415.581 1.372 30 10 HDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1cc2n(n1)CCCC2 1469623416 VUCCJGBTUHBHBX-KGLIPLIRSA-N 415.519 1.914 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)CC2)c1 1470637098 DFEZZENVWUMSOM-SFHVURJKSA-N 409.494 1.992 30 10 HDEE CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472036014 QOZFZLVWMJLPFV-LIRRHRJNSA-N 413.540 1.714 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1475380093 XFXCFJBDEKZLKX-LBPRGKRZSA-N 413.293 1.747 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1478553058 SHVBOYXPIFXNBM-OALUTQOASA-N 422.551 1.329 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1478904696 FOJKXQJCNDFJSJ-GOEBONIOSA-N 407.478 1.345 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCOC[C@@H]2OC)CCOC1 1502681387 HTLHFRODKCLVOP-GIYDNNGJSA-N 423.489 1.424 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1505098414 PZDQRYAYCRTWAY-OAHLLOKOSA-N 420.495 1.150 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CCO1 1505323884 ZDTZNXNQBRZTIV-IRXDYDNUSA-N 402.499 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1507667852 SOXQRIDOKQSCBE-INIZCTEOSA-N 412.881 1.820 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@]1(O)CCS(=O)(=O)C1 1507701659 NUBFBEPXNIFITF-LJQANCHMSA-N 406.483 1.169 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCOC2)CC1 1507738353 NYQWECYZUMMSOT-MRXNPFEDSA-N 409.494 1.128 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1507741557 WSSINNCOQHJYFV-GBESFXJTSA-N 415.538 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1508129237 AXLRKBUMEPGDTB-FCEWJHQRSA-N 412.556 1.775 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCO1 1508379984 SZKANIGLJUXTAO-CRAIPNDOSA-N 414.466 1.026 30 10 HDEE C[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1512449911 IHUYYWBYHUSZOA-DOXHGZAWSA-N 400.483 1.686 30 10 HDEE C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1512544608 DXPYNXSWPKXSKG-KRWDZBQOSA-N 415.542 1.365 30 10 HDEE CCc1nnc(N(CCO)Cc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1513818082 ASHWQRBVTXORKM-VXPUYCOJSA-N 410.478 1.366 30 10 HDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1514376896 IDEXRUSAAJYWDH-KNQAVFIVSA-N 410.522 1.889 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@](C)(C#N)C1 1517624984 GPPUQTSAVAXMGX-LJQANCHMSA-N 418.523 1.633 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1518443728 HNUTXTVTZVNSGX-PBHICJAKSA-N 410.478 1.597 30 10 HDEE COC[C@@H](Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1518730101 CCSYLOCXLHNKCQ-GOSISDBHSA-N 411.510 1.485 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1c(Br)cnn1C 1519177924 FWYNNYTZDRGOTI-LLVKDONJSA-N 404.272 1.124 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1535272912 HQZDZVMKIBRXHA-OAGGEKHMSA-N 410.515 1.716 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2=O)cc1Cl 1538587598 WPQBUEORMFFOOP-YJBOKZPZSA-N 416.909 1.934 30 10 HDEE COC(=O)CN(CC#N)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S 1538842983 CGPVKYGZXDZYOV-GXDHUFHOSA-N 421.475 1.942 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1538992413 QSTYPZBWIUQEBB-CQSZACIVSA-N 423.477 1.573 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1539013018 HOYZWFDWOLYQNU-SJLPKXTDSA-N 407.584 1.760 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539132993 SZDICNNYRWYBNA-ZIAGYGMSSA-N 415.475 1.797 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1C 1539148355 JXDOHKSUKYXIRP-JKSUJKDBSA-N 405.524 1.734 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1539195145 NRFVTXSKSWYGTK-UHFFFAOYSA-N 405.524 1.435 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539226249 WGPXZMZHYGLACX-KRWDZBQOSA-N 406.552 1.553 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1539259496 DBDQZGCBFSVVCI-IAGOWNOFSA-N 414.510 1.463 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(=O)NC)c2)CC1 1539853883 FDVXKMSLTIBBHN-UHFFFAOYSA-N 408.506 1.965 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1540179889 CTEVRYNYZSMTGJ-CVDCTZTESA-N 424.549 1.531 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540866883 DIHAICFVVPTIOH-CALCHBBNSA-N 401.467 1.106 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540874233 YZJZQUHKVGEVOO-LJQANCHMSA-N 422.533 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N(C)[C@H](C)C1 1540900170 MVYBMELGUQVLIA-MRXNPFEDSA-N 417.535 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@@H]1CC 1540906894 GBSBXAOMUHFLPC-HOTGVXAUSA-N 409.556 1.626 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1541247640 HENWIWQMHTZWQL-SFHVURJKSA-N 407.478 1.690 30 10 HDEE C#CC[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1542600206 NVIKNTOHLAXOHV-OAHLLOKOSA-N 402.520 1.628 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CNC(=O)NCC)cc2)cc1 1545095272 OORQXYUGOBAAMG-UHFFFAOYSA-N 414.487 1.670 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1548289281 MRYABQRLKRUOSA-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1554532089 YEEFIZREQJFEBH-ROUUACIJSA-N 411.462 1.622 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(O)c3ccccc3n2)s1 1556863316 IEHIGNWHUMTRSM-UHFFFAOYSA-N 418.500 1.720 30 10 HDEE N#Cc1cncc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c1 1559510597 MGPYFSPQQOFADO-UHFFFAOYSA-N 414.487 1.621 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1566016017 ZFJHVOMBCWOHSW-YVEFUNNKSA-N 405.252 1.358 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1569207737 RPUMKFPBRBPEGK-DGADGQDISA-N 414.524 1.116 30 10 HDEE CSc1ccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1C#N 1584324703 HKJTWJKNZKRPHQ-HNNXBMFYSA-N 418.519 1.974 30 10 HDEE COc1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc(OC)c1OCC(N)=O 1586074510 XNNUOBDAIIHEKH-UHFFFAOYSA-N 410.430 1.376 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCOC1 1588099034 GOUMZFYXWHCTHL-LJQANCHMSA-N 415.291 1.932 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(CC)CC)N1CCOCC1 1588120136 HPCYVPRKJHEKBX-NRFANRHFSA-N 423.565 1.888 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1588124917 WIIDFRGQVDHXFZ-UHFFFAOYSA-N 410.503 1.439 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1588128163 FNOYTXNSPIXRBL-GFCCVEGCSA-N 401.364 1.219 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1588309826 FQSNYEZNYBVHLD-MRXNPFEDSA-N 405.453 1.551 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)CC1 1588791514 XTOKMRXRLSUYGY-LJQANCHMSA-N 419.533 1.293 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1CCCn1cnnn1 1589233268 GPOWTCSYMHGSNI-OAQYLSRUSA-N 406.494 1.969 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CC1 1594237206 NSKCIUPVWFEGMZ-QGZVFWFLSA-N 409.556 1.958 30 10 HDEE CN(C)C(=O)c1c[nH]nc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1595345086 ALOFUZIPVSHXBA-UHFFFAOYSA-N 417.267 1.821 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(C(C)(C)C)CC1 1595477575 WGCLFFQUZONAOY-KRWDZBQOSA-N 422.574 1.615 30 10 HDEE CN(CCCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1607497790 MIRPLQJRCLGBSE-UHFFFAOYSA-N 405.455 1.241 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1611331150 IIUJAXBNGJEGSX-NVXWUHKLSA-N 418.505 1.976 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CN=c3cc[nH]c(C#N)n3)CC2)cc1OC 1611983064 APHKXQHAQGZIGW-UHFFFAOYSA-N 417.491 1.300 30 10 HDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cs1 1613886908 QUPZYSZOHHRZTN-GFCCVEGCSA-N 423.568 1.695 30 10 HDEE CC1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCC2(CC1)OCCO2 1618281222 RKVJESJFYQYHLE-UHFFFAOYSA-N 421.519 1.932 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1C#N 1622134633 HRMBQFCIHSLPPI-KGLIPLIRSA-N 401.410 1.898 30 10 HDEE N#CCCn1cc(C(=O)NC[C@H]2C[C@@H]3COC[C@@H]3O2)c(-c2ccc([N+](=O)[O-])cc2)n1 1625731014 NHJRQOWJBUOVGZ-KYJSFNMBSA-N 411.418 1.906 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)OCC(=O)N3C)s1 1626193719 KHNAERCQGGEDMX-UHFFFAOYSA-N 421.500 1.749 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)C(=O)OC 1626204482 FNIOYLTZPQXBRV-HNNXBMFYSA-N 421.450 1.937 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1634594030 SLFWVMQONCYFMZ-SJLPKXTDSA-N 419.551 1.544 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1636464600 OZMGQGFCQZESCZ-YWMAMYRUSA-N 422.482 1.045 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)C1CCCC1 1636570469 LWGICBRCQQVVKL-MOPGFXCFSA-N 419.551 1.279 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 1636915591 JGERFRTUBWHXGS-HNNXBMFYSA-N 402.472 1.288 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1637885462 IBNOWONTABVVQZ-KRWDZBQOSA-N 400.479 1.697 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639179786 YJDDEVRYMIWRNZ-XLPNERPQSA-N 413.540 1.713 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1639638459 WCAZSPUGFNKATR-IAGOWNOFSA-N 411.549 1.519 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1639775306 JRTQDMITKGXMIX-OAQYLSRUSA-N 419.478 1.824 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CCCN1C(=O)OCC(F)(F)F 1643519582 DJVDWYSIAXJIKV-NKWVEPMBSA-N 402.238 1.824 30 10 HDEE Cc1ccc(C(=O)NCc2c(C)cc(CO)cc2C)cc1S(=O)(=O)NCC#N 1644972964 CPEUDMVVCQWBGW-UHFFFAOYSA-N 401.488 1.836 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1647403035 FOIJZOXYBCPKDC-QGZVFWFLSA-N 407.536 1.934 30 10 HDEE N#CC1(NC(=O)CN2CCN(Cc3ccc(Br)cc3)C(=O)C2)CCC1 1647989168 CSXWDFGQXACZCY-UHFFFAOYSA-N 405.296 1.656 30 10 HDEE Cc1cc(C#N)nc(N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)n1 1652157679 RNTYUCKIVBXPQH-OAGGEKHMSA-N 414.466 1.676 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 1653700208 ZLXCFWGKJIBVLI-MSUUIHNZSA-N 404.467 1.372 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)n1 1668983472 NSLDLLKBADTBSH-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2)CC1 1675580938 WLFLXZZBJGZHME-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE C=CCn1cc(CNC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1 1678337329 UXYZEJPIHGBZCM-UHFFFAOYSA-N 417.901 1.266 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1Oc1ccccc1 1681555364 AXIOROYPBRYRQM-IIEIJDNYSA-N 419.503 1.191 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)C1 1682183730 LOHRQKFEQQUPMD-NWDGAFQWSA-N 416.425 1.812 30 10 HDEE N#CC1(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)CCCCC1 1683946400 POUDDRQCEBZWIV-UHFFFAOYSA-N 403.527 1.606 30 10 HDEE C#C[C@H](NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1)C1CCOCC1 1684188662 UTVMSACVROIATR-SFHVURJKSA-N 414.466 1.249 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)C1 1685180133 HZVRMTPYKGCJSU-GOSISDBHSA-N 418.563 1.722 30 10 HDEE N#Cc1cn(CCNC(=O)NCCOc2ccc(Cl)c(Cl)c2)c(=O)nc1O 1686620367 GNYYNOOHYPGBEF-UHFFFAOYSA-N 412.233 1.506 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1687593119 IRCRICAVRUBUDJ-SFHVURJKSA-N 407.559 1.278 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)CC1 1687814805 AUVJLDYHPDTDNJ-UHFFFAOYSA-N 408.480 1.071 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689986227 LELQYGNSFNMVEU-IRXDYDNUSA-N 418.567 1.630 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(N)=O)c1 1690003351 LDKGWNNRVHGSTR-HSZRJFAPSA-N 421.501 1.539 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCO2 1690102972 ZAHRJOMCCHUZLL-GOSISDBHSA-N 409.490 1.689 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCCC1 1690105007 PRHNBGVYNKPKBF-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC)cc2)CC1 1690132805 XONBSVZOFRMXQE-UHFFFAOYSA-N 419.533 1.952 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(NC(C)=O)cc2)CC1 1690134681 AZULICGEQXBXSV-HXUWFJFHSA-N 408.506 1.892 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690179092 MCVZLIFSKSYDPV-INIZCTEOSA-N 414.535 1.907 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1 1690190059 KCXVQLIINCHACW-FOIQADDNSA-N 417.535 1.937 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ncc(Cl)n1C 1690673522 XALXQYBLJPXFBO-UHFFFAOYSA-N 414.901 1.589 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)n1 1696872647 GOILOECCKBXPSH-UHFFFAOYSA-N 403.450 1.646 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1697708871 VCIRCJFHHWZPBQ-UHFFFAOYSA-N 407.434 1.148 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1=O 1698074661 DLQWXXBXLRKDDC-FUHWJXTLSA-N 424.505 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1705474876 GZZGLOFQDFXKNQ-INIZCTEOSA-N 411.510 1.154 30 10 HDEE C#CCCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705525940 AAPADTRVXZBXCM-MRXNPFEDSA-N 419.432 1.911 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1705574715 LLOMDUFVPMBZIR-QFIPXVFZSA-N 413.522 1.406 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCC)c1 1705595212 KPTVZCBNTCJCIY-UHFFFAOYSA-N 415.501 1.940 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705657372 CMUFJPOEMDWPKP-MRXNPFEDSA-N 411.535 1.747 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCO[C@H]1C 1705669120 DCEQZESJZRYQDZ-UPZYVNNASA-N 418.538 1.851 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1705673689 IUZRHLCUAFCGPP-LJQANCHMSA-N 415.519 1.272 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1705730405 JVFRTWOCORGNEQ-HNNXBMFYSA-N 413.544 1.098 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1)C1CC1 1705855066 VBKKRKLHWVCFEP-INIZCTEOSA-N 407.496 1.407 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705895324 BQPFREWRRHDBPD-OAHLLOKOSA-N 423.926 1.524 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(Cn2cncn2)CC1 1711397909 HDEFSTWMWYZILN-UHFFFAOYSA-N 419.493 1.461 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1712454152 KFKKOITTYSTZPI-MBOZVWFJSA-N 405.499 1.487 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1722292664 AHNCJGIJYPUUHD-MJGOQNOKSA-N 415.563 1.770 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1722294722 HQXASAKQMDPQSV-KGLIPLIRSA-N 405.524 1.972 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1722346553 YLHDYZFQKRGFCL-CQSZACIVSA-N 407.496 1.045 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722368737 VNVRVSLXGUMUFF-RBUKOAKNSA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1722384103 TWPCRQHCIPXAEL-LVCYWYKZSA-N 416.547 1.458 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(CC)(CC)OC)CC1 1722432795 FGGDYORBJABCTR-QFIPXVFZSA-N 419.570 1.891 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN(C)CCCOC)CC1 1722434263 NDJSPSGAYCSFLR-UHFFFAOYSA-N 400.527 1.570 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722537583 OMFSJKYSPMQWRZ-MSOLQXFVSA-N 407.515 1.454 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722538824 XMJFSIGSRLJWAC-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)(F)F)C1CC1 1722652463 GTQYQBXIAYCEEH-WFASDCNBSA-N 417.432 1.835 30 10 HDEE CC(C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1723170571 ZBQITLVFLJJXLL-LVZFUZTISA-N 423.477 1.591 30 10 HDEE CC(C)COCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723497059 HSZNEEVKNUSMGK-GOSISDBHSA-N 410.526 1.974 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C)cc1C 1724390184 AMKXWSHEJLWWHB-WMZOPIPTSA-N 411.510 1.826 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CC2)CC1 1728665820 GVNHFEPXZWUNIY-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1730705044 JUZJIPUUXNYAQO-SFHVURJKSA-N 401.467 1.617 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740592481 YLWHOUQLGCQDEQ-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740617912 YWYDVFBXCVSRIL-FGTMMUONSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(C2CC2)C1 1740661229 VRCLKDUKGJSQTO-ZJOUEHCJSA-N 411.550 1.949 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1740669933 KSSDWSVUJNKRDU-PGFLUOATSA-N 417.554 1.511 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(SC)CCC2)CC1 1740691821 AAAJNNOTCWFHLY-NRFANRHFSA-N 419.595 1.971 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCC2CCOCC2)CC1 1740699224 YMXZEBZTZVJGNA-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@@H]2C)CC1 1740701133 VUZWJADPUPYVOL-GOEBONIOSA-N 407.478 1.472 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2Cc3ccccc3O2)CC1 1740707885 UJMXNVVNOCOGIU-IBGZPJMESA-N 423.517 1.784 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740883088 IROMLVUPWCAGNF-GOSISDBHSA-N 400.483 1.274 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740885304 DARFCJDLTPLVGT-OLZOCXBDSA-N 403.405 1.589 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1CCN1CCCS1(=O)=O 1740939577 DIDXLQJEALQUJG-UHFFFAOYSA-N 419.551 1.928 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CC(=O)NCC=C)c1 1748689521 CHQUHAPIZRIXMK-UHFFFAOYSA-N 408.506 1.934 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748715920 TVRHYCUDVIIYJH-HZPDHXFCSA-N 412.498 1.117 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1748752456 XOAOZSIBJNLAOV-RCCFBDPRSA-N 403.527 1.563 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1748805775 WBBPGEZFRZNDRF-KRWDZBQOSA-N 403.508 1.445 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCCC)nc1)[C@H]1CCS(=O)(=O)C1 1748818100 VPVLWUYBXAVDBL-KRWDZBQOSA-N 417.535 1.699 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)[C@@H](C)CC 1748892723 WBKJZBCIRGGGAS-RCCFBDPRSA-N 406.552 1.704 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCO1 1748969361 SFLNJGGCUJZFDL-HNNXBMFYSA-N 403.508 1.535 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749033181 AATMMXHMABZKHM-INIZCTEOSA-N 404.584 1.559 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749039475 UYOOBOWPMPNMPF-OALUTQOASA-N 419.595 1.697 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1749485637 VJMQCHUGQSLHHM-MRXNPFEDSA-N 403.508 1.444 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1749708241 IVRIVLDJJFJYDA-MNOVXSKESA-N 420.258 1.998 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(N)=O)CC1 1749760185 FBTMKPQYCZNWFK-UHFFFAOYSA-N 406.556 1.412 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)F 1750027798 OMSMWUYXTFQVBZ-JSGCOSHPSA-N 402.421 1.741 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1750046965 DLTDGMGSVHUVBX-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC 1760120454 LRHIZNIGVRUGKJ-OAHLLOKOSA-N 400.508 1.288 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1760175742 QEPVNQMKIJDDQK-INIZCTEOSA-N 402.520 1.525 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@H](C)C2)CC1 1760251880 KPRXNYZJENNAQI-MSOLQXFVSA-N 416.570 1.767 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1760270454 PSDUWWVKRYOLAK-OALUTQOASA-N 417.554 1.494 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760431701 ZEJTYJSESPWPHZ-UHFFFAOYSA-N 410.526 1.905 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1760692342 DMYZSIWMAAKAPK-LBPRGKRZSA-N 411.919 1.481 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1760848341 XRZXBLAYXAGXKU-NRFANRHFSA-N 415.542 1.693 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1766386063 KMYURRQORKIHKS-SFTDATJTSA-N 418.542 1.927 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)ON3C(=O)c4ccccc4C3=O)cc12 1772792713 MKQITPCXKHAXRA-SNVBAGLBSA-N 412.427 1.816 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@H](NC(N)=O)C(=O)ON1C(=O)c2ccccc2C1=O 1772794313 HCVBPNMFRCOEKA-ZDUSSCGKSA-N 420.422 1.083 30 10 HDEE CCC(NOC/C=C/Cl)=C1C(=O)CC(O)(C[C@H](C)S(=O)(=O)CC)CC1=O 1848434730 ASBDFYFTRUGRNN-ZDLWJMPKSA-N 407.916 1.801 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)CC2=O)cc1 1849704059 QOEBWEDCMCHCOX-HNNXBMFYSA-N 406.442 1.995 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCCN2CCOCC2)CC1 1849938914 OACRKCSKNLYVDC-UHFFFAOYSA-N 411.481 1.910 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)CC1=O 1850570323 DDYWGHPWXWRVEB-LIRRHRJNSA-N 410.430 1.378 30 10 HDEE Cc1nc(C(=O)O[C@H]2CCCN(S(C)(=O)=O)C2)c(C#N)c(C)c1Br 1852139519 RIECOJLVBDTHSK-NSHDSACASA-N 416.297 1.913 30 10 HDEE CCN1CCN(CC(=O)Nc2c(-c3ccc(OC)cc3)cnc3c(C#N)cnn23)CC1 1852546460 QHTIJUVZYLMCDZ-UHFFFAOYSA-N 419.489 1.853 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)c2c1 1852743327 GIUNULYTZIKRDQ-UHFFFAOYSA-N 421.457 1.535 30 10 HDEE COc1ccc(S(=O)(=O)C2CCN([C@H]3CCCN(C(=O)CC#N)C3=O)CC2)cc1 1853726088 SRCBIECNOJXSSG-SFHVURJKSA-N 419.503 1.365 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(C)c(C)c2)C1=O 1853827399 BOOIGLYNNZQFJM-UXHICEINSA-N 413.518 1.919 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)CCN3CCCCC3)C2=O)CC1=O 1854103752 IGYKKSKBDMHJLV-OALUTQOASA-N 404.555 1.346 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1854721942 CAAUYIIRTHRBQU-NSHDSACASA-N 403.382 1.161 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1855438280 ZSIWLHWRYUBDPZ-AWEZNQCLSA-N 418.444 1.647 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CCc3ccccc3)CC2)CC1=O 1855646618 APUATINMZFZGLX-SFHVURJKSA-N 403.504 1.560 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3CCN(CCC#N)[C@@H](C)C3=O)nc12 1856193219 LAVAHVPLMAFKNU-ZDUSSCGKSA-N 401.492 1.714 30 10 HDEE N#CCCCN1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)C12CCCC2 1856520892 CUHCJENJBAVYSK-INIZCTEOSA-N 400.483 1.216 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857056410 MWKVCEMODMHCJR-DNVCBOLYSA-N 419.472 1.991 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)C1=O 1857178569 FEFNULXDBPDVSK-SFHVURJKSA-N 411.437 1.289 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622961 KTYMYLVIBUGUFB-OAHLLOKOSA-N 411.510 1.697 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871627089 AZBPLLGQPUSYNT-UHFFFAOYSA-N 407.482 1.062 30 10 HDEE N#CC1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1892325770 LEMQVDPGXORQHI-QGZVFWFLSA-N 406.464 1.900 30 10 HDEE C[C@H](C#CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1902015319 XUYXTJZZWRXVKR-JPYJTQIMSA-N 415.534 1.998 30 10 HDEE C[S@](=O)CC1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2052616312 NZRBMMMVFODXQU-DEOSSOPVSA-N 415.162 1.958 30 10 HDEE C#CCN1CCC(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2139200631 MRQACBOZDXVVRM-FQEVSTJZSA-N 421.494 1.028 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCOCC1 2174782607 SAOUCJLSNJBYOR-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1S(=O)(=O)CC1(C#N)CCOCC1 2174790205 ZXCRGZADKPUERQ-GJZGRUSLSA-N 401.529 1.966 30 10 HDEE C=CCN(C)S(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186601148 ABHNGYYWBYYXHJ-LBPRGKRZSA-N 401.363 1.798 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243370717 RCAUYEOAHLFGRW-OLZOCXBDSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CO1 2243429324 AUXZKTPOCUEGPL-CABCVRRESA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243483018 LIHQNLLVYPKARD-AWEZNQCLSA-N 407.320 1.866 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247660234 IOUOFADIOPIXGK-LSDHHAIUSA-N 419.331 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247680051 QMYYQIDOVMJCEP-HUUCEWRRSA-N 419.331 1.845 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247818274 YISCHTYCFBZEBA-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE Cn1cc(C(=O)NOCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247824540 YULKTBNZERNDMC-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1Cc1ccccc1 2247858547 ONOQRJDZRAOWGB-INIZCTEOSA-N 411.315 1.119 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247919568 XCGWKJNNPPZKQD-DABQJJPHSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2250272853 PTGQJLNCGJXHSA-STQMWFEESA-N 420.319 1.742 30 10 HDEE CCS(=O)(=O)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2269026880 RLHCWRJEALGFSJ-UHFFFAOYSA-N 409.360 1.292 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@H]1CCCC[C@H]1C#N)NC(=O)OCc1ccccc1 2270527910 NALHZRNBRXLDLH-ULQDDVLXSA-N 423.491 1.456 30 10 HDEE Cc1sc(C(=O)NCCCS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281932601 NKKOCLIBFYFBCS-UHFFFAOYSA-N 402.347 1.073 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](CN4)C3)cc2Cl)OC1(C)C 2282308566 TTYNBLVRWUFQFS-MNOVXSKESA-N 418.777 1.683 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(O)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282326315 QPHYRIQMIMDIFC-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CN(C[C@@H]1OCC[C@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282328682 BAWZHRUKLJYDRJ-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE CSC[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282338898 QOUYMJHODDFUQK-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCNC3)c(Cl)c2)OC1(C)C 2282512975 WZPDSCUNXGXUJW-LBPRGKRZSA-N 400.737 1.527 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCCCS3(=O)=O)ns2)OC1(C)C 2282600557 WCPRQJCOPUDNCT-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3ccc(B4OC(C)(C)C(C)(C)O4)cn3)C2)OCCO1 2282672160 FWLKOINUUWTMDU-HNNXBMFYSA-N 402.300 1.996 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282834564 LKFKLYFGEVZPLG-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CN1 2282835132 PPTQJFUBILDYIE-VXGBXAGGSA-N 400.737 1.668 30 10 HDEE C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282839904 JWGZEWYPTYCTMB-WCQYABFASA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCC(N)CC1 2282843340 LXMPFMAROCWAOO-UHFFFAOYSA-N 400.375 1.904 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282847271 WWWWWAYSLBJGNC-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE C[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284394359 XKCOBWPRYSJNTL-SNVBAGLBSA-N 403.693 1.733 30 10 HDEE C[C@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398473 YLJRLYGTGIUFHH-SNVBAGLBSA-N 403.693 1.638 30 10 HDEE CC=CC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404691 YTFSEHRDGIBHTD-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE CC[C@](C)(NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284407167 IDUHTGWQQYJRBB-INIZCTEOSA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CC(C(=O)O)C3)c2)OC1(C)C 2284416222 VOVRGCSKRAIBHH-UHFFFAOYSA-N 401.315 1.436 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2290391963 YFGCFTPWPBHNKF-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(O)c1 2330798805 YIDQHBAZHQIABA-UHFFFAOYSA-N 407.452 1.253 30 10 HDEE CCN[C@H](C#CC1(OC)CCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363602282 TXNYPLXLSUUCOY-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N1CCN(CCC#N)CC1 2364274966 YKJJLUPECLQKBR-UHFFFAOYSA-N 405.094 1.617 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365202892 GRSKYSNYUYAJGR-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2365214271 YXKMQPUTKHDJCY-CLCXKQKWSA-N 402.557 1.721 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367783741 KPVVKMXJZYNOCX-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367796506 QECMRGWJFWAJFI-HRCADAONSA-N 400.541 1.604 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)COC[C@@H](C)NC(=O)OC(C)(C)C 2367797821 XERDCVKEAWEVMF-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367823879 JKVQMWWASSNEKF-HUUCEWRRSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367829572 AVAXDGRHZFSCJZ-VCBZYWHSSA-N 400.541 1.340 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1 2375780233 JGTLUYVFPVXCCR-RDTXWAMCSA-N 402.513 1.420 30 10 HDEE CCOC[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CC[C@H]2SC(=O)C=C2C1 2378927200 MMXJQNZWMWPODW-ACJLOTCBSA-N 400.497 1.645 30 10 HDEE CCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)N=C(N)N)cc1 14020240 GCHIEECQULCJHP-UHFFFAOYSA-N 421.504 1.174 30 10 HDEE Cc1ccccc1/N=C(\N)NC1=N[C@@H](CC(=O)Nc2ccc3c(c2)OCO3)C(O)=N1 40376414 XPZYIQJPZOOXBO-AWEZNQCLSA-N 408.418 1.983 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 46326952 UKCFEPYVYVEDGR-GOSISDBHSA-N 401.511 1.444 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 56017286 WVJUAPIIMSMXJZ-PBHICJAKSA-N 418.519 1.071 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 64934629 SYWGOBWALKHGQC-UHFFFAOYSA-N 408.446 1.706 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccnc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103118222 GUDFBNINGRTIND-FXBHHXAOSA-N 413.386 1.420 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@H]1CCS(=O)(=O)C1 108698166 ARKRJCMKRVVSMV-HOCLYGCPSA-N 408.545 1.963 30 10 HDEE CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 301787694 MNHKGVTYFOVABH-BEFAXECRSA-N 410.522 1.396 30 10 HDEE CN1CCC(NC(=O)c2sccc2I)(C(N)=NO)CC1 313011405 ZZYKSAYJWUFZLJ-UHFFFAOYSA-N 408.265 1.293 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 410142971 OGLBIGYHOLREGG-DOMZBBRYSA-N 400.501 1.865 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCN1CCO 427438161 CYLYIBRQSKYGBB-INIZCTEOSA-N 408.458 1.814 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2noc(-c3ccccc3F)c2C)CC1 433903488 JFJDIZIPHGJFEG-UHFFFAOYSA-N 401.442 2.241 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 434462559 GRWLJHWKNFLUKA-GDBMZVCRSA-N 423.560 1.786 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)c(C#N)c2)s1 435119256 MFXHCGMURYRAOT-UHFFFAOYSA-N 403.482 1.324 30 10 HDEE COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460781762 GWLSIUWAVYTMMV-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 465188713 YTLCBZVJEGKDNC-AEFFLSMTSA-N 419.489 1.764 30 10 HDEE Cc1nccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)n1 479274318 CJBUJQTXCMUAOJ-UHFFFAOYSA-N 402.479 1.517 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NCC3CCN(CC#N)CC3)CC(=O)N2C(C)(C)C)cn1 480116526 YZOLAUHGWWBBIQ-PKOBYXMFSA-N 400.527 1.460 30 10 HDEE N#CC1(NC(=O)c2cccc(CS(N)(=O)=O)c2)CCN(Cc2ccccc2)CC1 482603762 MKEKGSQXPQAQMR-UHFFFAOYSA-N 412.515 1.763 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 499340294 IFJPUZCOYMHVIS-UHFFFAOYSA-N 406.508 1.255 30 10 HDEE CCCn1c(O)nnc1SCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 502901205 DGESOAHCMWNCAT-CYBMUJFWSA-N 406.537 1.956 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)C3CC3)CC2)o1 505971460 PKBVIGKVQOHECI-AWEZNQCLSA-N 409.464 1.275 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1cnc(N(C)C)nc1 506006278 GGEQWUKPKOQUBH-KRWDZBQOSA-N 413.551 1.445 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COc2ccccc2)C1 508809181 KIIPUTAUKLUUKW-RDJZCZTQSA-N 421.523 1.359 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CCN1Cc1ccccc1 513042830 ULRICGCLCFFFEO-HXUWFJFHSA-N 418.501 1.857 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)ccc1F 516524327 RXSWWYLARPRVKL-INIZCTEOSA-N 420.418 1.833 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 523347530 PKDJESNVIUNSLT-GOSISDBHSA-N 406.486 1.786 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2)c1=O 523477647 LZXODKLUMUATLC-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCc2nnc3ccccn23)c1C 534155314 UETDORYGUCPOMV-UHFFFAOYSA-N 414.429 1.658 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 543350802 CFVNAFWVMLOUDS-UHFFFAOYSA-N 401.467 1.035 30 10 HDEE COc1ccc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OCCCC#N 567512587 AJJYMRQEBXJLFU-QGZVFWFLSA-N 410.540 1.738 30 10 HDEE Cc1nc([C@@H]2CCCCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 574371644 HECBXZFUOPXJBJ-INIZCTEOSA-N 403.464 1.672 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 578382335 PBVJVBLQAOLIOM-UHFFFAOYSA-N 414.466 1.248 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2cccc(C#N)c2)CC1 587672609 DHDWEKRTSAOKGB-SFHVURJKSA-N 418.497 1.957 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)c(F)c1 610462974 PXTQJKVUHVBMEY-UHFFFAOYSA-N 409.377 1.004 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 731649374 MRQOLYCIKOQZGP-IBGZPJMESA-N 407.536 1.587 30 10 HDEE CN(CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)c1ccc(Br)s1 732649105 AKEHTMOEVZNLPS-LBPRGKRZSA-N 411.325 1.781 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCN1C1CC1 732669227 JIZVUKVTODNRJS-ZDUSSCGKSA-N 402.398 1.548 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1C1CC1 732674846 TWRIOEHXJWAFDY-GOSISDBHSA-N 417.535 1.353 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CCN1C1CC1 732706893 RINGXWBAGGTVQR-IBGZPJMESA-N 405.458 1.034 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccncc3)cc2)CCN1C1CC1 732707883 HDDKFYVSPGYAOB-LJQANCHMSA-N 405.458 1.798 30 10 HDEE COc1cccc(C[C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 732967105 ICKZSYAHSKHZQA-CQSZACIVSA-N 401.488 1.871 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1 743700175 UOSHDKMEGPVINP-QUCCMNQESA-N 409.442 1.825 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1C#N 746681220 XVNMJWCWJAHZOR-UHFFFAOYSA-N 421.500 1.486 30 10 HDEE O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)OCC#Cc1ccc(C(F)(F)F)cc1 750889064 CAPPRZFYQPZVDW-JHNDHUHGSA-N 407.344 1.763 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 754172512 VZUSTVHFOGCEGP-KRWDZBQOSA-N 414.485 1.679 30 10 HDEE C[C@H](C#N)CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 754174543 HRSPVWSAMZCKNC-CJNGLKHVSA-N 417.487 1.774 30 10 HDEE C#CCOc1ccccc1CNC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755338738 MPXXNMLIOQBFBU-QGZVFWFLSA-N 415.490 1.831 30 10 HDEE N#Cc1cccc(N2CCN(Cn3nc(C4CC4)n(CCC(N)=O)c3=S)CC2)n1 760552313 QWHYVKZKSMVLSX-UHFFFAOYSA-N 412.523 1.213 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 768298390 ZJVPRTDXOFDQFP-OGLOHFSISA-N 418.494 1.905 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772897544 ISCTYSKRCOWHSH-UHFFFAOYSA-N 416.572 1.756 30 10 HDEE C#CCN(C(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2)[C@@H]1CCS(=O)(=O)C1 774147970 KFGFGBRLFNYXGM-RHSMWYFYSA-N 406.504 1.741 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccccc1)C(C)(C)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 774248881 BOKSXMDIAUZOJR-IAGOWNOFSA-N 406.504 1.759 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 780204852 IZKUZJKUJSLVBO-HXUWFJFHSA-N 407.426 1.343 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1 780205512 LQLYHXBRJWZIKT-MRXNPFEDSA-N 404.325 1.693 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CS(C)(=O)=O)n1 789063136 JFDYFXVYRDORDX-UHFFFAOYSA-N 418.519 1.419 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN2CCC(CNS(C)(=O)=O)CC2)c1=S 795670444 JXFNBABDNSWOIF-UHFFFAOYSA-N 422.580 1.881 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C[C@@H](C)O1 798746038 YAEAOVJZHWKUHS-RBSFLKMASA-N 412.450 1.506 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)CC1 802997881 RQZMENVBZRNBCE-ZDUSSCGKSA-N 409.464 1.392 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)cc1C#N 806336196 LHNPTNLMYVHISB-INIZCTEOSA-N 418.494 1.849 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)OCc2cccnc2C#N)CC1 813167658 RMQJGURSCSUCAE-UHFFFAOYSA-N 404.448 1.702 30 10 HDEE Cc1ncc(S(=O)(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 813652316 YLYVNTVBFASJMI-UHFFFAOYSA-N 423.539 1.483 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)cc1 817028921 SGWKXKVRKXVYAM-CVEARBPZSA-N 400.232 1.886 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1 820173511 BHSBAWRQZBVETL-HNNXBMFYSA-N 419.459 1.240 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3n(n2)CCCC3=O)c1 1125189171 PYUKRLDLBHCYSS-RELWKKBWSA-N 415.475 1.925 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1129018872 DEHHMFWDNCOKFE-INIZCTEOSA-N 415.490 1.783 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1130700614 FGXZSMUTGFRFHC-AGIUHOORSA-N 406.401 1.405 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)Cn1cc(Br)ccc1=O 1130952174 HYNFXEQHWXCBKG-UHFFFAOYSA-N 413.235 1.761 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CC#N)C(F)(F)F 1134050941 QSSWBDKGGQPIPK-CQSZACIVSA-N 421.397 1.290 30 10 HDEE C[C@]1(C(=O)NCCNc2ncccc2C#N)C[C@H](O)CN1C(=O)OCc1ccccc1 1136424022 GXBJXKUPAJVUNY-PGRDOPGGSA-N 423.473 1.643 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)COC1 1138107895 FRQLJADRVASIPN-KGLIPLIRSA-N 404.471 1.194 30 10 HDEE C=C[C@H](COC)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1138582422 CPAGVTFFMMESTC-QZTJIDSGSA-N 424.563 1.834 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)c1 1143183729 IIZJCDJMQLESQV-OALUTQOASA-N 420.473 1.165 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)[C@H](O)c2ccc(C#N)cc2)C1 1146569764 HGGZDARYHHUWBN-OXQOHEQNSA-N 400.435 1.235 30 10 HDEE C=CC1(CC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)CN(C(=O)OC(C)(C)C)C1 1147535909 VGXFTFULZUAGGL-UHFFFAOYSA-N 418.498 1.354 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)s1 1150252721 XQFMJIUKHFFPBR-GUYCJALGSA-N 416.590 1.926 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1 1151545666 QNQYDYDHXIEEQD-UHFFFAOYSA-N 403.508 1.866 30 10 HDEE COc1cc2nc(C(=O)N3CC(Oc4ccc(C#N)cc4)C3)c(=O)n(C)c2cc1OC 1153852874 QFOQAQYMOVCNLU-UHFFFAOYSA-N 420.425 1.726 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(=O)nc1O 1156906148 AAEZFUVQKIRJTO-ZDUSSCGKSA-N 422.272 1.913 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1 1159068189 SKBSJHQLGAPJMX-GOSISDBHSA-N 400.460 1.604 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 1165507879 IWFDCADXMULMQZ-UHFFFAOYSA-N 400.262 1.922 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc2ccc(F)cc12 1171914634 GVTDKXSPHLPXSI-LLVKDONJSA-N 402.407 1.822 30 10 HDEE C#CC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3Cl)C2=O)C1 1176793044 NATSBRJVNHGUDB-DHDCSXOGSA-N 419.890 1.172 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccncc3)C3(CO)CCC3)CC2)o1 1196442174 OQVPZRJAYOXEIT-HXUWFJFHSA-N 424.505 1.392 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)oc1Br)C(=O)OC 1213384750 CSWWBYFZGPBVKU-MRVPVSSYSA-N 410.242 1.615 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc2n1CCC2 1213712214 ZFVRXKKWLFCDLF-UHFFFAOYSA-N 408.524 1.853 30 10 HDEE CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2cccnc21 1233853718 QVHNIXXHNDGXIH-HOTGVXAUSA-N 400.483 1.802 30 10 HDEE CCOCCOCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1251225692 WRPNHYZCATVMOB-UHFFFAOYSA-N 412.494 1.833 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CO1 1251385574 MUDNRFZARBHADK-GJZGRUSLSA-N 403.439 1.667 30 10 HDEE CN(C(=O)CN1CCN(C(=O)NCc2nc(C#N)cs2)CC1)C1CCCCC1 1255897563 AYNNHQOZYDUYMM-UHFFFAOYSA-N 404.540 1.633 30 10 HDEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1266151113 WWHZYGMTAKQDKC-KRWDZBQOSA-N 423.491 1.061 30 10 HDEE Cc1c(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cnn1CCC#N 1269700692 DDIYEKFHLYNHOL-UHFFFAOYSA-N 405.455 1.714 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1286317784 QROIKHICMCQOCQ-RDJZCZTQSA-N 421.523 1.863 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1286397583 BBNLPOOQLYFFQK-UHFFFAOYSA-N 413.503 1.265 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1CCCO 1286427499 AYVJHEASNBSSSQ-NRFANRHFSA-N 406.534 1.574 30 10 HDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](C(N)=O)C1 1286504370 QOUVPYIAEATZPQ-MRXNPFEDSA-N 421.530 1.809 30 10 HDEE C#CCSCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1286513617 XFCWSXOHJNGOOJ-UHFFFAOYSA-N 404.584 1.343 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(N)=O)cc1 1286528115 QELLGTWDQGLTMH-JOCHJYFZSA-N 421.505 1.932 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286632998 CBGFBWGLLDTCHO-IBGZPJMESA-N 417.602 1.846 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(C)C)C1 1286778675 CTKQIODWPUHUMH-GJZGRUSLSA-N 412.560 1.063 30 10 HDEE Cc1ccc(C)c(N2N=C(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2=O)c1 1289437514 XUYLURQRLIKVHC-MGPUTAFESA-N 414.487 1.183 30 10 HDEE CCCc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1289437955 VXLAHKBBMSKUDZ-XGHQBKJUSA-N 415.515 1.389 30 10 HDEE C[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1291295723 CFKOPRRPJGVGQA-QAPCUYQASA-N 415.519 1.724 30 10 HDEE N#CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCC1 1299492043 DFAZMLHMIASVDC-AWEZNQCLSA-N 403.460 1.434 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1300321393 LQJNMNJSCABQMF-ORAYPTAESA-N 400.508 1.206 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1300446669 PEKBOERGXIHTKE-UHFFFAOYSA-N 402.466 1.389 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1300459068 VXAISDUDFLTDOA-SFHVURJKSA-N 414.554 1.722 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300532206 RAXUPBHUOJWDSU-HXUWFJFHSA-N 410.566 1.951 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2csc(C)n2)CC1 1300683964 VETHVDMPSGPIOY-INIZCTEOSA-N 418.567 1.765 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC(F)(F)F)CC1 1300716708 PCVYUPBWIOXFMW-ZDUSSCGKSA-N 417.432 1.530 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](C(N)=O)C1 1300750817 CNQDSJLGFKZDOE-HNNXBMFYSA-N 413.503 1.394 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300760799 GWEAHDUIVPSBPZ-BZUAXINKSA-N 414.597 1.796 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301367900 VMPSFJVFGVBPGV-OALUTQOASA-N 416.570 1.759 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1301960677 ZNAGJUSDLCOWRW-HOCLYGCPSA-N 422.484 1.630 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1COCCO1 1302955106 YAQDQPMNJHBZDQ-GOSISDBHSA-N 411.510 1.485 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1305531698 KOKBPUHERRUABV-WBVHZDCISA-N 411.510 1.878 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)CCC1 1308113797 IMWHFPDWMCVFRU-RTBURBONSA-N 421.563 1.933 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 1309375594 HGDGMKUBSBWTCT-ZDUSSCGKSA-N 400.298 1.802 30 10 HDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1315875392 VYNCEYYJABVKLP-OLZOCXBDSA-N 408.484 1.101 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCC(C)C 1316298346 VVWANSYUSFCMKF-KSZLIROESA-N 407.515 1.794 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N(Cc3ccc(C#N)cc3)C3CC3)CC2=O)cn1 1357528707 FTFFQSRBRZYXMK-SFHVURJKSA-N 407.474 1.945 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1358903700 GWYAUNXPNBFPIQ-UHFFFAOYSA-N 412.538 1.766 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnc2n1CCC2 1358937849 JJTQJMQNQUXLCA-UHFFFAOYSA-N 424.896 1.517 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358950734 WSQGEBWJOORRPS-MRXNPFEDSA-N 405.499 1.359 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358967638 OTUIZERITRIHSX-LSDHHAIUSA-N 421.548 1.456 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(-n2cncn2)c1 1358994458 NUEZVLLZJQYEJJ-IBGZPJMESA-N 401.474 1.874 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359035971 JUICYPJBRPSSOE-NHCUHLMSSA-N 414.598 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOC(C)C)CC1 1359045073 VXPICBHYIPJWNQ-GOSISDBHSA-N 403.527 1.911 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1359089482 JYSOTBWTCZDLHB-CRAIPNDOSA-N 418.542 1.504 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NCC2CC2)CC1 1359179530 XPNHTGMZYOINOP-INIZCTEOSA-N 407.540 1.109 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359295475 CLDCJZCTFHKXRT-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)C1 1359322324 TVCLUVGMOCBYQD-GMBSWORKSA-N 410.540 1.123 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1359322573 YMPQQIDZCAKAIJ-SJORKVTESA-N 424.567 1.921 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1437872893 HRMOLWMJYURALK-GOSISDBHSA-N 406.504 1.174 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)ccc1F 1439743118 OMUJFGMEJSWPSL-GOEBONIOSA-N 412.483 1.558 30 10 HDEE C#CCN(CC(=O)NCCS(=O)(=O)CCc1ccccc1)C(=O)OC(C)(C)C 1448355929 RKJMXSWHKMBBEN-UHFFFAOYSA-N 408.520 1.630 30 10 HDEE COCC#CC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451441264 CRQBKNJSHPOVGW-DLBZAZTESA-N 420.510 1.030 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CSCc3ccc(Br)cc32)c(=O)nc1O 1452980430 ZJHBCQIXEKHCRS-CYBMUJFWSA-N 421.276 1.687 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OCC 1454710337 IDYXSVUCYUBUTO-ZDUSSCGKSA-N 420.853 1.716 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1455983592 KISKNWJFJNXHSZ-LBPRGKRZSA-N 407.370 1.102 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(C)(F)F)CC2)ccc1F 1456426013 NIBHBIQUXBOIHK-UHFFFAOYSA-N 405.442 1.703 30 10 HDEE COc1cc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2cc1OC 1457201082 OOOAXIUHGLCBPR-UHFFFAOYSA-N 406.398 1.688 30 10 HDEE COCCCN(Cc1cc(C#N)ccn1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1459741838 KJVYLMJTMNNKIF-UHFFFAOYSA-N 420.473 1.889 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H](c3ccccc3)N3CCCCC3=O)C[C@H]1CS(=O)(=O)C2 1462997404 JBCYFNGMKXWBGD-QRFRQXIXSA-N 401.488 1.137 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C3(C(=O)OCC)CCOCC3)cc2C1=O 1463133475 JYPAHYKDFRDNEQ-AWEZNQCLSA-N 414.458 1.947 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1463454077 PIMICCPDMMYDLO-WSVYEEACSA-N 411.343 1.925 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1=O 1467531423 GBRPEDAIXLLSQJ-IBGZPJMESA-N 420.941 1.943 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1469670523 ANXGLHSRZIYAIA-UHFFFAOYSA-N 419.482 1.364 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1470006958 DVTMEEPTCJLDTO-RHSMWYFYSA-N 405.499 1.970 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccsc2C#N)CC1 1470096552 OYBXYLFEMMHJIT-UHFFFAOYSA-N 408.480 1.677 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)c1 1470574534 VCFCUJDNNDGAJQ-MRXNPFEDSA-N 414.443 1.284 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)cc1 1471088826 MPPRRZVSZQIIBQ-RHSMWYFYSA-N 410.492 1.239 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCOC1 1472399382 HSLPFNAZDYANHK-XHSDSOJGSA-N 411.499 1.906 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCN(C)CC1 1477338893 QYVCAXHPVJLXMA-UHFFFAOYSA-N 420.579 1.956 30 10 HDEE CC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(OC)c1OC 1479153485 VLFPVTCRMLRADQ-OAHLLOKOSA-N 413.434 1.555 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)nc1 1479218200 NISAOLVAMZZYDK-IFFAKLHKSA-N 404.492 1.472 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1503415151 KFKNMGWEOOWCKH-HOTGVXAUSA-N 400.508 1.601 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504899320 DKNPFIYQUMNXFW-QINHECLXSA-N 420.489 1.457 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCN(C)C 1505073768 PBWMCBUMUTVAGL-BBTUJRGHSA-N 420.558 1.710 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1507590168 AKNSKPNGMNESSE-MRXNPFEDSA-N 416.432 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCc1ccc(S(N)(=O)=O)cc1 1507676558 NNOKHYLMEQDAPE-UHFFFAOYSA-N 415.519 1.168 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1507728427 UCCOHOMDDXTDTJ-IERDGZPVSA-N 414.579 1.940 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 1507730223 ONKJTLDCYUHTFV-UHFFFAOYSA-N 402.543 1.710 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(Cc2nc([C@H](C)OCC)no2)CC1 1507745970 HOGRBOWMRFTQPY-HNNXBMFYSA-N 419.555 1.756 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507824258 YZKWBTYVUKGBOE-IBGZPJMESA-N 416.507 1.517 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(C)Cc1cc2c(cc1OC(F)F)OCO2 1508075120 UCFPOIXOCQAGEU-UHFFFAOYSA-N 409.393 1.855 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1508120864 BASHIAQRRDZGOO-SJORKVTESA-N 419.526 1.236 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508167524 MSVPVYKATFWQLB-SJORKVTESA-N 404.584 1.993 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1c(C)c(C#N)nn1-c1cccnc1)C2=O 1526518409 WHGFIHJMIJTJPY-UHFFFAOYSA-N 400.398 1.991 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OC)[C@H]3CCC[C@H](OC)C3)cc2C1=O 1527232768 IVEFZMXWGGUMHB-YEWWUXTCSA-N 414.458 1.945 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1533649994 PBASXHDUMZGNNV-MRXNPFEDSA-N 412.533 1.803 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21 1534590806 AHGSEBAFMUDLPN-LBPRGKRZSA-N 401.282 1.592 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1535157963 XHZAXRZJWIRCNX-GOSISDBHSA-N 407.536 1.948 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1537430183 APFMKSBJQQZWMT-GOSISDBHSA-N 414.483 1.820 30 10 HDEE C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308776 TTZSRARHDKWZBR-WQGACYEGSA-N 402.394 1.869 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539089826 SVPMYGQJKZSYEZ-JOCHJYFZSA-N 423.521 1.640 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1539266179 MYRPGRMZSIBMNV-SFHVURJKSA-N 411.531 1.389 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1539370573 XLKZZTUUAKAFBK-ZDUSSCGKSA-N 405.471 1.116 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CC2)CC1 1539488479 KADHJKPQXMGMOA-UHFFFAOYSA-N 409.538 1.906 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1539556853 ILWLZVNXCAIYMV-QFBILLFUSA-N 406.552 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539621286 QBLPXBCBDVKKCK-KURKYZTESA-N 411.572 1.676 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOCC1 1539633241 XJYLMHFTCBUHJD-FHWLQOOXSA-N 405.543 1.532 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1540063930 GMDLPFBPJCWUBK-UHFFFAOYSA-N 419.537 1.943 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1540865748 QRLWKWQMJRBJGX-UHFFFAOYSA-N 421.505 1.566 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 1542978401 OTGBYLSNUZYJMR-FUEZOINRSA-N 409.364 1.811 30 10 HDEE CN1CC[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]21 1543907538 AMHVGYVWBUNCNN-MJGOQNOKSA-N 402.520 1.121 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1545687304 FLKHRADAQDXSDN-AWEZNQCLSA-N 413.530 1.132 30 10 HDEE CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1547359447 FDKANVWTCVZIPM-AWEZNQCLSA-N 415.479 1.205 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1548128030 HBBHVXGHMFYWIJ-GOSISDBHSA-N 422.486 1.213 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)CC1 1555995492 QIZGHYDZCYTLBN-KRWDZBQOSA-N 402.499 1.450 30 10 HDEE C=C(CC)CNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1557022329 IBAYTWFVELOWTL-ZDUSSCGKSA-N 421.441 1.700 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)CC1 1557483311 BCFFWOTZENTUII-UHFFFAOYSA-N 411.512 1.967 30 10 HDEE COC(=O)c1oc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C 1557861613 QEIVZGNOAGLBID-GFCCVEGCSA-N 405.432 1.230 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)NCC#CCN(C)C)c(O)c2)c1 1557899434 OGMFDNZAPXCNND-UHFFFAOYSA-N 411.458 1.957 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 1558072907 HKHLJELGVGRXFI-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 1562197411 LHJLBJIHMWNGMQ-INIZCTEOSA-N 423.539 1.713 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cnc(Br)cn1 1565175592 MMPTZUMPEBUJMF-NSHDSACASA-N 417.271 1.321 30 10 HDEE C=CC[C@@]1(C(=O)NCCCn2c(=O)ccn(C)c2=O)CCCN1C(=O)OC(C)(C)C 1568554343 PCXYCXUYKHRBGG-NRFANRHFSA-N 420.510 1.399 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC)c(S(N)(=O)=O)c2)c1 1583685491 UIDJKXYACYYYRL-UHFFFAOYSA-N 420.512 1.946 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(CCNC(=O)c3ccc(OC)cc3)CC2)nn1 1585487219 GKIPTCLQRGBQBG-UHFFFAOYSA-N 412.494 1.051 30 10 HDEE C[C@H](CC(=O)Nc1nnc([C@H]2CCCO2)s1)/N=C1/NS(=O)(=O)c2ccccc21 1587743830 CFKOZBJEKQLPPB-ZYHUDNBSSA-N 421.504 1.845 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(OCC(N)=O)CC1 1587823255 NWZQRVNITGLRQD-UHFFFAOYSA-N 412.450 1.737 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587834592 CSRBYWKSMSEAQZ-SFHVURJKSA-N 417.473 1.703 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1588084932 XXAYOQIKILTCHV-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1588229111 RCDFGOKKZCTACO-RBUKOAKNSA-N 413.522 1.130 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1588265415 ABYBLZXRGIDCPU-AWEZNQCLSA-N 406.512 1.190 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1588384821 BVZZTYRACHZECN-GOSISDBHSA-N 424.530 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1588619663 AQFIISMNYSNFES-KKSFZXQISA-N 400.479 1.580 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1589078679 WIDQJYNXODDMFO-LJQANCHMSA-N 420.627 1.438 30 10 HDEE C=C(C)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1593684099 SLTIVQWBAMIJBB-PWSUYJOCSA-N 401.443 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595796988 CZVNFQKQEJMGGU-OXQOHEQNSA-N 424.567 1.921 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1596949422 VKUOZHOFDVROLH-QAQDUYKDSA-N 419.547 1.695 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)C)CCOC1 1610445490 GDNNZFWZTYTDSR-UXHICEINSA-N 422.505 1.533 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCCCn2cnc3c(N)ncnc32)CC1 1610945183 JMTZOOKEWILHFQ-UHFFFAOYSA-N 404.478 1.799 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ncc(Br)cn3)CC2=O)cc1 1616649697 NVMSHJIFWXAGEK-GFCCVEGCSA-N 400.236 1.780 30 10 HDEE C#C[C@@H]1COCCN1Cc1nc2c(c(O)nc(=O)n2Cc2ccccc2)n1CCCC 1618447426 XRXYYABVWJLUHM-GOSISDBHSA-N 421.501 1.981 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1619770156 AONGKFCSZXSWQY-KSSFIOAISA-N 406.874 1.510 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC1=C(C(=O)OCC)[C@H](c2ccco2)NC(=O)N1 1619905561 YACRPQGTOZPWBQ-SFHVURJKSA-N 417.462 1.728 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC[C@@H]1C 1620024156 DUKZVNORUWELQM-IPMKNSEASA-N 420.558 1.995 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1625873308 RPYQREWSUAHCQH-CQSZACIVSA-N 423.963 1.905 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)c1 1626101013 MGWYVECOGNCOQJ-UHFFFAOYSA-N 405.407 1.987 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)nn1 1627706505 LEFQKWDSHBHJFZ-UHFFFAOYSA-N 402.459 1.733 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1Br 1629947426 BRERAOBXRWPACN-GTNSWQLSSA-N 421.251 1.194 30 10 HDEE C[C@H](CN1CCOCC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1630027353 UNDFLVBUYDYDIE-BAQZJKQNSA-N 406.527 1.610 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)cnc2OCC2CC2)CC1 1631231392 NNWSGYPBIBNJMS-UHFFFAOYSA-N 407.268 1.831 30 10 HDEE COC(=O)CCN(Cc1ccncc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1631520009 IPCBXJWRDXJHMX-UHFFFAOYSA-N 419.434 1.723 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 1631744541 GXNBSPDSZIYOPB-MJBXVCDLSA-N 423.963 1.856 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)nn1 1633136914 XPZSEVNQEMGWQH-QGZVFWFLSA-N 412.450 1.291 30 10 HDEE C=CC1(CC(=O)N2CC3(CC(=O)Nc4nccn43)C2)CN(C(=O)OC(C)(C)C)C1 1640037816 OZTNCIMJNSRUGQ-UHFFFAOYSA-N 401.467 1.576 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC1CCN(C)CC1 1640787922 YWBQCTNHJUFPIL-UHFFFAOYSA-N 406.600 1.795 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1648014409 QESPVAMXEZJBRR-ZBFHGGJFSA-N 422.356 1.291 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)[nH]n1 1654970114 PINORBXCGLZFRK-MRXNPFEDSA-N 421.475 1.547 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)C1=O 1655136370 DMUSWBYPPOIUKA-ZDUSSCGKSA-N 417.434 1.603 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@H]1CS(=O)(=O)Cc2ccccc21 1655144361 PUZJZNJMOASHAY-IBGZPJMESA-N 421.482 1.942 30 10 HDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1655430663 DSLJXZDQXZXQRH-HXUWFJFHSA-N 400.435 1.166 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)[C@@H](O)c1ccc(Cl)cc1 1656066763 CIJNFSKGUWOOTF-GLQYFDAESA-N 403.888 1.231 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@](C#N)(c2ccccn2)C1 1659720341 TYCUPHNGVKKTMC-PGRDOPGGSA-N 405.506 1.466 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1666201829 ZRUHHBZHNLTQCX-RELWKKBWSA-N 405.524 1.576 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1=O 1670356370 KTSMANKQZSSCIF-SFHVURJKSA-N 421.519 1.890 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)C1 1679943939 DTXJBEVZPZENML-ZQGRQUNCSA-N 421.498 1.666 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ncnn21 1683827091 BRAXNVKHFIYTJZ-DYVFJYSZSA-N 405.466 1.855 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)C1 1684029199 CJXYXEXAITZWNY-AWEZNQCLSA-N 418.498 1.104 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1689824807 XWIYYLGJLQSPLU-CABCVRRESA-N 404.515 1.885 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCc1nnc2n1CCCCC2 1689972356 MGFAAGBRADFKPN-UHFFFAOYSA-N 407.526 1.770 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1689979911 JCHPFXPFNLVACZ-MRXNPFEDSA-N 403.508 1.480 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)COC)CC1 1690317271 XCIDEOKJFHUHMI-UHFFFAOYSA-N 419.551 1.818 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2ccccc2)C1 1690674656 AFRKSBLJWHIJAL-SFHVURJKSA-N 408.506 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC2CC2)CC1 1690725344 NBLUZPDCGZKUEI-UHFFFAOYSA-N 409.600 2.000 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1690971143 NIOCKMUJAACKRP-UHFFFAOYSA-N 409.494 1.402 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1692562456 AKHXVDXNKGSDLU-UHFFFAOYSA-N 408.510 1.348 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705523085 JYLICCBQOVGTBD-SJORKVTESA-N 400.527 1.857 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705537353 COHALVZPQUAEAD-UHFFFAOYSA-N 415.498 1.285 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705564555 PBJFAXYNQRVEHU-LJQANCHMSA-N 412.515 1.919 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705566722 PQTZTHNHCOPRFA-ROUUACIJSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1705582820 KGDMIAHITODHBM-IBGZPJMESA-N 406.490 1.135 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705738060 JJWPAFPTXQJAKF-ROUUACIJSA-N 404.559 1.912 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl 1705901226 FREXFHXHFCKIMQ-OAHLLOKOSA-N 420.876 1.960 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1706011000 YARYGTWFQMPJLG-PKOBYXMFSA-N 410.478 1.908 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNC(=O)C(C)C 1706059082 XFFJODUBDKXEHV-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1710834088 GGELKACUHMDGQA-OAQYLSRUSA-N 412.494 1.728 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1710897498 CYSWPHXBTVUCTP-CABCVRRESA-N 402.524 1.991 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCCC1 1710971360 BWTLYDBURWBLLL-INIZCTEOSA-N 413.526 1.618 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1722345140 NVXICHMQWJZBRT-MRXNPFEDSA-N 416.551 1.016 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1722396159 FWKHRJVBECMYCH-LJQANCHMSA-N 407.474 1.778 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCC2)CC1 1722436281 BTOKSUBJNMRXJR-SFHVURJKSA-N 400.527 1.334 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC 1722470952 NZJGTBNDEOKIOZ-LJQANCHMSA-N 417.491 1.215 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1722567177 NQTOMZBZMSRBAE-UHFFFAOYSA-N 405.524 1.482 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1722631325 KHUXDUQSSSCKRR-LLVKDONJSA-N 418.445 1.973 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1728142066 YLVVQFLHIKKFSD-GUDVDZBRSA-N 420.558 1.995 30 10 HDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728209877 CTORDUKMDVTAQV-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCOCC1 1729409264 CICRYCQEAFRPRQ-LJQANCHMSA-N 424.505 1.887 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730483830 HFJJQLWUHPZUFP-GOSISDBHSA-N 400.458 1.860 30 10 HDEE COC[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730576763 VDEYIFJNHOFJGP-UFOSLELVSA-N 400.483 1.545 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1 1730878478 VSVYHNLYVDGGLQ-MAUKXSAKSA-N 401.467 1.788 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740594059 ZRZKELPXQUVLNV-UHFFFAOYSA-N 407.565 1.862 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626751 YSHHHHFOMVUFEA-ZWKOTPCHSA-N 405.568 1.198 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740637411 ARVLJAWLOZZVDP-FGZHOGPDSA-N 419.529 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1 1740645404 FIHVYDPCGYDDPP-MRXNPFEDSA-N 415.519 1.408 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1c(CC)nn(C)c1OC 1740686290 VSLGKZWTNPFVMT-OAHLLOKOSA-N 402.499 1.221 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(N(C)C)nc2)CC1 1740697919 ITHWLZGBEKYDOQ-UHFFFAOYSA-N 416.533 1.528 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCN(CC)C2)CC1 1740701022 RJVUGXXFVKQONH-UFYCRDLUSA-N 416.570 1.099 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cnn(C)c2)CC1 1740707334 YROQDIGKRXDEQI-UHFFFAOYSA-N 418.505 1.012 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1740731090 OUSJLNYAWJQQGL-AUUYWEPGSA-N 419.507 1.355 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740794316 WVZSLBYXEREAEC-KRWDZBQOSA-N 423.521 1.776 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740954515 ASWGHECPQIKQOG-OAHLLOKOSA-N 405.524 1.507 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1740982338 UZXIXYGHPODCMP-ROUUACIJSA-N 404.559 1.565 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2(CS(C)(=O)=O)CC2)n1 1742677432 DOSIWXVRRRIHJJ-OAHLLOKOSA-N 419.555 1.703 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1748296268 BSUAERVGQMYKTP-XJKSGUPXSA-N 420.495 1.078 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1748731350 ASIBQRZIEPUCAY-RCCFBDPRSA-N 423.583 1.945 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1748818274 YNMUORUTZXKJSK-UWVAXJGDSA-N 422.551 1.195 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1 1748863802 HNEDXBNRVLZYFM-MRXNPFEDSA-N 415.519 1.300 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749020706 ZXTSHMDWIVQLIK-MRXNPFEDSA-N 418.567 1.374 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749128481 WPCDGOMETDJTQO-UAGQMJEPSA-N 420.539 1.283 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749660421 OWSONXHNGKRMLI-HNNXBMFYSA-N 420.395 1.886 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)C1 1750208680 HJMANMGRNMXOSV-IAGOWNOFSA-N 422.555 1.021 30 10 HDEE C[C@@H]1C[C@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCO1 1752013085 CPSVRUAOAPZRGD-BRWVUGGUSA-N 402.499 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1760098321 QVVQWYXAHFEZAQ-ARFHVFGLSA-N 405.524 1.814 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1760101524 RBPBOSNKAXULHN-SNVBAGLBSA-N 415.317 1.043 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760147599 VWPJMUOHKAVLDS-OAHLLOKOSA-N 415.519 1.429 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760225039 FXMRJPCPMRUZFO-CYBMUJFWSA-N 411.478 1.869 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1760439248 ZTJSGFKZCJDLMW-JKSUJKDBSA-N 421.509 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN2CCCC[C@H]2C1 1760553283 ACYUBYVRGRUADF-INIZCTEOSA-N 417.539 1.010 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1760688560 KUBZYLNEPWCGIE-UGSOOPFHSA-N 414.457 1.296 30 10 HDEE Cc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)sc1C 1761602572 ABHYSIJYGJXUEL-CQSZACIVSA-N 424.490 1.776 30 10 HDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)c1 1762193200 BCRZQHUPWVEBMU-UHFFFAOYSA-N 411.491 1.257 30 10 HDEE CCN1CCCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1765453254 HJEQAPDBOAKMJJ-IBGZPJMESA-N 407.522 1.970 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1766870747 GPAGHCWWJPRDTP-LJQANCHMSA-N 400.414 1.246 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1767847809 RLLGJGNRBYKWAV-PBHICJAKSA-N 418.523 1.227 30 10 HDEE CN(CCn1cccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1768935075 JFEZBEZOAWAEJE-VHEBQXMUSA-N 410.482 1.090 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1769994519 KFBUXSMTTBOIHE-FCEWJHQRSA-N 410.494 1.165 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(OC)CCOC1 1770194925 NBMWSFVQRAXKLV-XGHQBKJUSA-N 419.526 1.938 30 10 HDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1770313223 QZHXGCHDWZZPIH-YOEHRIQHSA-N 419.507 1.698 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1771030234 RGRDSISAOVIGKR-QGZVFWFLSA-N 412.494 1.857 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1771223167 RNEQBYHYLYHKHF-HUUCEWRRSA-N 424.502 1.256 30 10 HDEE COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@](C)(C#N)C1 1771276667 IAXSDYLAGWMICK-FQEVSTJZSA-N 401.515 1.933 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(OC)CCOC1 1771293550 NLDZBVCDZYQSKM-BBTUJRGHSA-N 419.526 1.938 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCC1OCCO1)C(=O)ON1C(=O)c2ccccc2C1=O 1772794112 ZYNMTEQJEFAHNN-CQSZACIVSA-N 420.418 1.787 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)NCC#CCN3CCc4ccccc4C3)cc12 1849805333 MQRWQQNRUCEZLN-UHFFFAOYSA-N 409.515 1.617 30 10 HDEE N#Cc1ccc(CCC(=O)Nc2nc(N3CCN(c4ccccn4)CC3)n[nH]2)cc1 1851546059 KLWUBJOVGKVYLW-UHFFFAOYSA-N 402.462 1.969 30 10 HDEE C#C[C@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851818603 XLKPUQBJODEAQA-LIRRHRJNSA-N 400.456 1.789 30 10 HDEE N#CCC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3ccccc3Cl)C2=O)CC1 1851834777 VHKVUSXDHNYOAK-UHFFFAOYSA-N 402.838 1.783 30 10 HDEE C#CCCN1CCN(C(=O)CCCn2nc(C)n(-c3cccc(OC)c3)c2=O)CC1 1852305093 NBUWCKSJKHWOLJ-UHFFFAOYSA-N 411.506 1.299 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccccc4n3)CC2=O)cc1C#N 1853646033 OVBBEQJGQDJDCW-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2c(C)nn(C)c2C)C1=O 1854263485 VBJDATOVPQHADX-IAGOWNOFSA-N 401.511 1.277 30 10 HDEE CCOCC(=O)N1CCC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854364339 JFUVAVRNGLPJJO-SFHVURJKSA-N 400.479 1.598 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@@H](N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O 1855447463 KWPSJMWXEZMKMC-HNAYVOBHSA-N 420.531 1.883 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2ccc(N3CCOCC3)nn2)C1 1855463004 CIXVXYBNENDYLJ-QZTJIDSGSA-N 413.522 1.733 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)c2cnc3sc(C)nn3c2=O)C1=O 1856012315 WFZPZUMLWXANIJ-HNNXBMFYSA-N 401.492 1.655 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1856288089 OKXCCVIJJFEWCA-INIZCTEOSA-N 409.552 1.360 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)C1 1856847913 BNQBRVHDZQVLLP-AZUAARDMSA-N 410.518 1.361 30 10 HDEE CC(=O)C(C(C)=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1857034078 KWIHCESPBTZQER-FQEVSTJZSA-N 409.486 1.734 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858318489 XAYNULCQLQKHHI-QGZVFWFLSA-N 419.528 1.917 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C)nn2CC 1864319152 OBUSJQRKDMIBLX-GOSISDBHSA-N 412.490 1.969 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)CC1=O 1872917765 KFQWDRJOUWQWOS-MRXNPFEDSA-N 415.490 1.915 30 10 HDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccco1 1874210549 WNWRWEAZVBZWDH-GTQIFZCBSA-N 424.486 1.847 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3cnc(C)s3)CC2)CC1 1889277272 UZOWUDOOIQNQIG-UHFFFAOYSA-N 404.580 1.643 30 10 HDEE O=C(OCc1ccccc1)N1CCOC[C@@H](N=C2NS(=O)(=O)c3ccccc32)C1 2106027545 GPNYINJOLWDZDS-INIZCTEOSA-N 415.471 1.763 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181109487 FGGHNIITOGUTBC-CYBMUJFWSA-N 415.537 1.361 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)Nc2nc(Cl)ccc2C#N)CCS(=O)(=O)C1 2192698355 RVDVRGZYZUPKSW-INIZCTEOSA-N 414.871 1.627 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247835842 RKYYDLQUWGEKGI-CHWSQXEVSA-N 420.319 1.807 30 10 HDEE Cn1cc(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255625731 WJLSUTLUFXDMPM-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE CC1(C)OB(c2cccnc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2255869643 FHRJDFNGEAEZJV-UHFFFAOYSA-N 423.322 1.358 30 10 HDEE CC(=NO)c1cnc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)nc1C 2256342573 QMEKDYIUGBOYLE-UHFFFAOYSA-N 403.420 1.021 30 10 HDEE C=CC(C)(C)CCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161129 YIDLYJSYHCYADU-MRXNPFEDSA-N 412.508 1.976 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2270504009 NALHZRNBRXLDLH-BRWVUGGUSA-N 423.491 1.456 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@](C)(C#N)C1)NC(=O)OCc1ccccc1 2270542663 ZDIHIEBERYSEHC-VQIMIIECSA-N 423.491 1.410 30 10 HDEE Cc1ccc(C#CCN)cc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2278683967 PWCPGJZJRMSAFC-UHFFFAOYSA-N 411.483 1.021 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281973686 BNMVNVYTXCEGOO-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCSC1 2282334923 IBNUPHDSOOLSHM-NEPJUHHUSA-N 401.363 1.139 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](C)N(C)C)c1B1OC(C)(C)C(C)(C)O1 2282498930 LITAEFZAJCJQQC-LLVKDONJSA-N 402.391 1.893 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1COCCO1 2282506747 WXXMUPCGHCWCGD-AAEUAGOBSA-N 403.331 1.130 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](C3OCCO3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282540829 PAVBRBKTFPXMDW-OAHLLOKOSA-N 403.284 1.829 30 10 HDEE C[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@](C)=O 2282607238 VPHZKWXGASHHTE-QYOLQKOISA-N 400.737 1.921 30 10 HDEE COCC[C@@H](N)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829251 BWLLELWCBNTDLG-SNVBAGLBSA-N 424.781 1.343 30 10 HDEE C[C@H](CCN)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282837701 GLDLIIXXEJMMON-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(CCCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282843564 PNYGJJGHIMCYLG-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE CN([C@@H]1COCC1(F)F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850342 NTVHRPUHKHDCPD-LLVKDONJSA-N 409.285 1.702 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCCNC1 2282852636 RSMKZCAWJGRPMU-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CN 2282858294 UXVXKPVRAWNYSR-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3COC[C@H]3F)ccc2Cl)OC1(C)C 2282866787 PBXVBGDNVXKCGL-ZIAGYGMSSA-N 405.684 1.654 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]2CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284395899 QQUNHLOGCGKXQO-NSHDSACASA-N 401.315 1.593 30 10 HDEE CSCC[C@@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284442379 OHRFTYQFHQWFBY-SNVBAGLBSA-N 400.331 1.687 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)c3cnc(C(F)(F)F)s3)s[nH]2)OC1(C)C 2289255413 MJQAHHCPZPPYEY-UHFFFAOYSA-N 406.220 1.987 30 10 HDEE N#CC1CCN(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)CC1 2309774695 WEHMFRRMBWNCSJ-OKZBNKHCSA-N 404.492 1.466 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2339672185 OLMLLPMQWODKIX-NQIIRXRSSA-N 422.547 1.565 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365211032 KHBIKBMBRLVQBP-MRXNPFEDSA-N 402.557 1.804 30 10 HDEE CC(C)N1CC(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2367667704 XEMFJMAXFWKHSZ-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2367788282 NKXIQPONLAVBLI-HZPDHXFCSA-N 400.541 1.429 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1S(C)(=O)=O 2368480454 MGDPOPGSEQEHKR-MNOVXSKESA-N 400.331 1.056 30 10 HDEE C/C(Cl)=C\Cn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C 5295725 PPTYIGKHTOOGDJ-XRXJZZCFSA-N 417.813 1.920 30 10 HDEE CCN(CC)C(=O)CSc1nnc(N/N=C/c2ccc(C(=O)OC)cc2)n1N 20913254 XPDQJWGJFURXFS-VXLYETTFSA-N 405.484 1.185 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](CNS(C)(=O)=O)C1 52695182 FXUIJERDHRLQQN-CHWSQXEVSA-N 410.565 1.697 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NC(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59039958 LIRBJQZJRWUTSO-REZTVBANSA-N 423.455 1.880 30 10 HDEE C=CCOc1ccccc1NCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCC(C)C 66062409 QKAVUGDOSQSYQH-QGZVFWFLSA-N 403.479 1.580 30 10 HDEE C=C(C)COc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCCC)cc1 66224994 COBFEENPLLKTDV-SFHVURJKSA-N 403.479 1.724 30 10 HDEE N#Cc1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@H]3C(=O)NC(=O)[C@H]32)cc1 247641551 HTMFHNUQRMCWPF-GBPOLFSSSA-N 414.421 1.639 30 10 HDEE CCOc1cc(C=NNC(=S)NC(C)C)ccc1OCC(=O)N1CCOCC1 254518338 ATCKTPRJXVVQJJ-UHFFFAOYSA-N 408.524 1.529 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 410187051 UYKTWZRFTDFDKW-MOPGFXCFSA-N 419.551 1.103 30 10 HDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 430509181 NEOJKTLGTKAKES-SFHVURJKSA-N 404.430 1.625 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(CCO)Cc2ccnn2CC)cc1 431900806 FXPGUCDSPIUYMB-UHFFFAOYSA-N 421.523 1.736 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)NC1CC1 443339632 YSBDHBZVMQNAML-UHFFFAOYSA-N 418.519 1.820 30 10 HDEE CC1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 464349022 WSDXQCIPHRUHKD-MRXNPFEDSA-N 404.492 1.272 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3OC)c2CC)CC1 470263546 KMAJJQDHHDBNCW-UHFFFAOYSA-N 411.506 1.503 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 501196596 JATFNRUBGUQGTL-BPQIPLTHSA-N 402.495 1.511 30 10 HDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505018953 PPFHVNZMIYCQKK-UHFFFAOYSA-N 420.491 1.227 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 508746977 MFVKMXWDPQMBEV-UHFFFAOYSA-N 420.495 1.900 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC=C)CC1 508954556 YBTJTOZJOUNSCS-IBGZPJMESA-N 424.505 1.401 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2CCOC[C@H]2C1 509001798 XISDJLBWWJRJFH-MRXNPFEDSA-N 403.508 1.055 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@@H]3CCS(C)(=O)=O)CC2)o1 514879835 BLDUYMNQBSLGGY-MRXNPFEDSA-N 408.524 1.887 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC2(C#N)CCSCC2)C1 535192694 WOPYXHUTTUZNMC-CQSZACIVSA-N 412.537 1.598 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cn1C 537032288 GJHXWTUOWCDFMV-UHFFFAOYSA-N 419.482 1.249 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 549290550 DGHKMPQQZARJAA-CVEARBPZSA-N 424.571 1.303 30 10 HDEE CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 549360859 BXOOELCJCRGIRT-UHFFFAOYSA-N 403.450 1.539 30 10 HDEE COCc1ccccc1CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 553429770 RIPDIRQGSUFOQP-OAHLLOKOSA-N 401.492 1.535 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 555254637 RYZHBCKVPURMOT-OAHLLOKOSA-N 410.500 1.120 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C#N)s2)CC3)CC1 555513763 FVVAJQKSPHIWCY-CQSZACIVSA-N 412.519 1.196 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNCc2ccc(C#N)cc2F)CC3)CC1 559136907 XHJOASKVOKSNKI-QGZVFWFLSA-N 410.497 1.634 30 10 HDEE C=C(C)CN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2ccn(C)n2)c1 560814510 QHHNISREXJBXBB-UHFFFAOYSA-N 412.537 1.832 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)n1 571575918 JNLJEMFVWORBMJ-GOSISDBHSA-N 405.462 1.375 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)nc1 578551337 ICWMYGKEJIRBFX-GOSISDBHSA-N 416.547 1.842 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)OC2CCC(NC(=O)[C@H]3CCCO3)CC2)cc1 586507427 ZKYPWPKCXOLKTD-LEOMRAHMSA-N 410.492 1.957 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCN(Cc3nccn3C(F)F)CC2)cc1 610989191 XEXGXQBGCBQLQP-QGZVFWFLSA-N 405.449 1.902 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3CC[C@@H](C3)C2)CC1 611179179 UGOQIFZKDPXSRE-IRXDYDNUSA-N 402.520 1.123 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 670233746 GBGUGAJGWNHJGB-GOSISDBHSA-N 411.506 1.966 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@H]2COCCO2)cc1[N+](=O)[O-] 729099501 FYKWHIWGRWPRCO-CQSZACIVSA-N 416.390 1.953 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1csc(I)c1 732152490 CJPRUKDLONCCRL-ACCUITESSA-N 417.228 1.609 30 10 HDEE Cc1cc(C)n(-c2ccc(CCNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)n1 732449347 HMHWOCQCPCUSOR-QZQOTICOSA-N 422.489 1.857 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCC1 732496503 XAKHMCHAAPHHFC-MJGOQNOKSA-N 408.458 1.230 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](C#N)c3ccc(F)cc3)C2=O)cc1 733622580 WBMMMTQVNHONME-LAUBAEHRSA-N 410.405 1.982 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)c1S(=O)(=O)NC1CC1 741070608 DODDWIZUUAVAGY-QGZVFWFLSA-N 417.535 1.948 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 745100088 MCBOPPSONIYHLD-UVTIVQHFSA-N 407.423 1.025 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1C#N 747494714 DENMKMKMZKPBGF-UHFFFAOYSA-N 407.430 1.741 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2F)N([C@@H]2CCOC2)C1=O 751655167 BIRBMNKAVKZRFZ-CZUORRHYSA-N 408.499 1.614 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)c2cc(C#N)cn2C)CC1 751728747 JSZNZLSLHXEVOY-UHFFFAOYSA-N 408.458 1.783 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 755367484 RNEKLQBHSJMPOD-NJAFHUGGSA-N 419.570 1.411 30 10 HDEE CC(=O)c1ccc2c(c1)CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 756074060 IKCDNPSRTXRQIJ-UHFFFAOYSA-N 411.483 1.555 30 10 HDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774193295 QFENLKYSUJLCTQ-IBGZPJMESA-N 417.531 1.432 30 10 HDEE C#CCN(C(=O)NCCC1CCN(CC(F)(F)F)CC1)[C@@H]1CCS(=O)(=O)C1 774237435 SQPIJEUDSKJDAX-OAHLLOKOSA-N 409.474 1.483 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccnc(N2CC[C@H](C)C2)c1 774484953 VIMNEKAKEGPYCY-ZDUSSCGKSA-N 400.460 1.927 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)[C@@H](C#N)C(=O)N3CCCC3)C[C@H](C1)C2=O 778605574 ROORRDYUNSGPQZ-WTXIUTQJSA-N 403.479 1.780 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2coc(CNC(=O)OC(C)(C)C)c2)CC1 780286753 IKUPFSMTXJKOMT-UHFFFAOYSA-N 406.483 1.364 30 10 HDEE CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 781401618 RVPOBTILWUDZRQ-UHFFFAOYSA-N 423.454 1.712 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)cc1 781846261 TYYLMUYXWROQDA-JXFKEZNVSA-N 422.503 1.075 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 783547652 PGKHGPOGHPIJCN-UHFFFAOYSA-N 407.536 1.667 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C/CNC(=O)OC(C)(C)C 807231654 OVGAEZFAWSACHS-VBROQKIQSA-N 422.507 1.422 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cn(C)nc1C(F)F 812219429 VTQICWXNAJGXHC-JTQLQIEISA-N 410.454 1.834 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4ncccc4C#N)CC3)c(=O)[nH]c21 900283118 YMYWPXCRVCLDBM-WAYWQWQTSA-N 417.473 1.934 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 915416375 DEUFDMJAFRRMRT-YNAXMUEKSA-N 411.480 1.664 30 10 HDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccc(N(C)C)cc3)n2)CC1 1084257398 JPMWFJDNBFQOGX-UHFFFAOYSA-N 402.528 1.183 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC(=O)NCCN1CCCCCC1 1129343715 FQTIFSCRULGDEL-QGZVFWFLSA-N 423.558 1.682 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccc(F)cc3NC(=O)C23CCC3)C1=O 1130436708 YFPVGPDYNPQNRN-UHFFFAOYSA-N 400.366 1.010 30 10 HDEE C=C(C)C[C@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1133158195 ZDZVIWJIYPKZIY-INIZCTEOSA-N 421.519 1.862 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1133811505 XQQOIUHCYYTTSC-ZDUSSCGKSA-N 424.910 1.105 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H](C)O1 1134429281 WGBGINTWZUCVFE-RNKNFESXSA-N 403.504 1.311 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N[C@@H](C#N)CO)c2C(F)F)C1 1140739334 HTUHDPCKFMKYSN-VHSXEESVSA-N 400.386 1.012 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOCc1ccc(C#N)cc1 1141657203 FZIYAXMRDCGRAK-KRWDZBQOSA-N 419.478 1.990 30 10 HDEE N#CC1(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCCC1 1147669114 OQWLCYROPMEKCT-AWEZNQCLSA-N 404.492 1.277 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)CC2=O)cn1 1150665089 HJZJSRXWXDNOKQ-HNNXBMFYSA-N 408.462 1.244 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](c4ncccn4)C3)C2=O)cc1 1155617948 HOSPDOZSYQGKSP-AEFFLSMTSA-N 418.457 1.959 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1156669883 LJEWBVQCBYSSCZ-JXFKEZNVSA-N 414.487 1.110 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1157529648 BUQRBGBFJIHKNV-HXUWFJFHSA-N 409.467 1.945 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 1158599509 LXTZKGGHLRDUSS-OAHLLOKOSA-N 405.520 1.352 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1Cl 1174742640 OSOWRVRLZGLVDD-UHFFFAOYSA-N 410.908 1.917 30 10 HDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)[nH]c21 1175354838 RQWUFJLYPNJGEW-AWEZNQCLSA-N 420.351 1.586 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OC 1177964087 ACDWTSZFGHTZRU-SZMVWBNQSA-N 406.454 1.344 30 10 HDEE C#CCOCCNC(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1224888323 OGLVOBCQHHNSME-KRWDZBQOSA-N 424.542 1.526 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(C#N)cc2F)ccc1OC 1271082203 JBAJTLNTJFEZCM-UHFFFAOYSA-N 407.423 1.883 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C1CCOCC1 1280094891 DELNRFUZFWZODB-OALUTQOASA-N 400.475 1.853 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(CN2CCOCC2)CCCCC1 1286358664 NPVYHTBBRZBUAA-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286384617 JCPOPJFGBMTMAR-RDJZCZTQSA-N 404.540 1.683 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1286390184 YILOZJJGRDTHEY-KRWDZBQOSA-N 418.567 1.630 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCSC1 1286403681 KYWWUBUMGJIJMS-OAQYLSRUSA-N 412.515 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccnc(OC(F)F)c2)CC1 1286488609 PBFYWBZFNLJVDI-UHFFFAOYSA-N 404.421 1.597 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[S@@](=O)CC)CC1 1286490392 SVKMMEDEGALANS-LJAQVGFWSA-N 414.535 1.075 30 10 HDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1 1286500415 STNPWAHIURHWKA-NSHDSACASA-N 423.340 1.714 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1286764566 SVGYKLOVAASAIQ-HRAATJIYSA-N 412.494 1.536 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286781215 PJPGSRGOWFREGW-INIZCTEOSA-N 403.531 1.432 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288305350 OAGRCYXSABNAHR-LNKGRISISA-N 423.489 1.301 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCC(N4CCOCC4)CC3)C2=O)cc1 1297333042 AIJBXPXTXGYQOV-XVAXZDLZSA-N 410.518 1.666 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300421793 RLPIGLNUPVIYNY-FQEVSTJZSA-N 412.519 1.399 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(C)C 1300520533 LMJXMSQMBXTPSH-UHFFFAOYSA-N 404.478 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H]1OC 1300557412 SUAAYJQSEUYQGO-BBWFWOEESA-N 407.540 1.166 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1300581270 QKBNJQBZMIJOFG-QZTJIDSGSA-N 404.536 1.602 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1300756328 JVJPUQKROCUYQJ-QGZVFWFLSA-N 413.551 1.713 30 10 HDEE C=C(C)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970292 NXANYZHYHVFRHW-HXUWFJFHSA-N 407.515 1.190 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2CCCO)C1 1301552884 AHXXZBHGJHHCGP-OALUTQOASA-N 415.542 1.307 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)[C@@H](C)C1 1301722637 UQJYHUMKPKFQDS-KSFYIVLOSA-N 424.505 1.679 30 10 HDEE Cn1ccn2c(CCNC(=O)c3cn(CCCC#N)c4ccccc34)nnc2c1=O 1303721358 YTGBOLXPLPUIRV-UHFFFAOYSA-N 403.446 1.659 30 10 HDEE C#CCN(C(=O)NCC[C@]1(O)CCCOC1)C1CCN(C(=O)OC(C)(C)C)CC1 1312945682 BYKDRGAXILDQHM-OAQYLSRUSA-N 409.527 1.962 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1313550102 FQUFPEIXMXDKKF-AEFFLSMTSA-N 421.505 1.257 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316339615 POYMRCMHGQCSAA-CJNGLKHVSA-N 405.480 1.308 30 10 HDEE CSCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1316459404 KWYBDMNJAUTNGN-IUODEOHRSA-N 404.537 1.473 30 10 HDEE CC(C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(S(C)(=O)=O)cc1 1345173717 OVBMULOEFJHYEE-UHFFFAOYSA-N 404.521 1.940 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1358932958 CUKBQQYYTDAWDR-FXAWDEMLSA-N 411.554 1.710 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358933362 QRFVZBZUQUTXEF-GOSISDBHSA-N 402.520 1.936 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)COCCO1 1358941012 VGZQDSUSJUYHJZ-KRWDZBQOSA-N 408.300 1.921 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1358962353 OHRZQIHBFLZSNP-SJORKVTESA-N 420.560 1.909 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2nc(C)c(C)s2)CC1 1359028288 NAVQZTAHFHYUBN-UHFFFAOYSA-N 415.567 1.488 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359222077 XKQUHHSFEOUCDG-QZTJIDSGSA-N 402.543 1.839 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1359242000 LETQHBOGPRZBLD-UHFFFAOYSA-N 422.580 1.265 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(CCOC)CC1 1359295180 SOXGCUGGYRHZPF-UHFFFAOYSA-N 424.505 1.762 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)nn1 1360575344 IIZMJMDBZLTHTM-UHFFFAOYSA-N 409.434 1.283 30 10 HDEE CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1448842397 JBNSARAPMVVEGN-BQLWYNFJSA-N 413.455 1.485 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCS(=O)(=O)C(F)(F)F 1453241317 FYMSWAHAKMOXCP-JTQLQIEISA-N 401.407 1.624 30 10 HDEE C#CC1(O)CCN(C(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1453845759 JYRRLEQOFVPBQV-UHFFFAOYSA-N 400.475 1.355 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1454223607 VLHQBGYWVNDDKL-HOTGVXAUSA-N 421.457 1.827 30 10 HDEE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874130 DZYHBCICVCIWSG-IFXJQAMLSA-N 402.470 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1456218695 NIJPSVKHTYVSRF-FTRWYGJKSA-N 419.503 1.649 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC1CCN(CC#N)CC1 1457615317 NKARDYJNYSSTJF-KRWDZBQOSA-N 409.531 1.146 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1459573675 HMMGGZDERUNDNW-QYZOEREBSA-N 415.490 1.658 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1460069169 UZTCMNHFVIJJHU-MOPGFXCFSA-N 408.520 1.946 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)[C@H](C#N)C3(SC)CC3)C2=O)cc1 1462375240 FHJCAQHNYZTDFF-DNVCBOLYSA-N 416.503 1.708 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1463283692 VTLWRBQWAFBMDG-QRWLVFNGSA-N 421.498 1.908 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@H]4CCCCN43)CC2)cc1 1464031830 JLUMALVBUFJMOQ-IEBWSBKVSA-N 402.520 1.408 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CCC(=O)OC)C(=O)OC)n[nH]2)c1C 1467762159 MDSHGQGTLZMGKV-CYBMUJFWSA-N 403.439 1.301 30 10 HDEE C#CC1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CC1 1469364961 UAEBYKMLQGWRRT-UHFFFAOYSA-N 408.480 1.565 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CSc2ccccc2O1 1469425014 ZFTKBXJLSXBCSE-UKRRQHHQSA-N 417.512 1.895 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1469815278 RIOBZRIUQGAZOK-QGZVFWFLSA-N 408.520 1.377 30 10 HDEE CCCN1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1470460678 KSRQGNOPUCVBNQ-INIZCTEOSA-N 406.552 1.886 30 10 HDEE N#Cc1cccc(ONC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 1471085336 CLIMVFPWNXBTCU-KRWDZBQOSA-N 401.444 1.739 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C#Cc2cccs2)C1 1471777730 YVTBJMIPWAQGGT-HNNXBMFYSA-N 412.533 1.640 30 10 HDEE COc1cccc(-c2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)[nH]2)c1 1472192166 SMECGBRPBKKQAQ-IFXJQAMLSA-N 400.460 1.404 30 10 HDEE COC(=O)[C@@H]1c2ccccc2OCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1473855904 UITSOVKGVLROEQ-NQIIRXRSSA-N 414.506 1.287 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1493687464 CGLKATIAYRDNTJ-GUXCAODWSA-N 405.522 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1507516724 MKXXXXHFRASROC-BDXSIMOUSA-N 424.615 1.714 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507624640 CSPJUONBBUZOOL-IBGZPJMESA-N 407.584 1.868 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC12CCOCC2 1507703521 WNCQAECMGHSHFW-KRWDZBQOSA-N 401.511 1.417 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCNC(=O)c1ccccc1F 1507708281 GBZRIPKBVDVGPI-UHFFFAOYSA-N 422.464 1.995 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507833010 SAUXKKCIIOGESN-SFHVURJKSA-N 411.554 1.877 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C(N)=O)CCOCC2)CC1 1507882322 YYWVWUMOKQUBDR-MRXNPFEDSA-N 407.515 1.441 30 10 HDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1507934589 GZTUZDKLXRDTMG-SFHVURJKSA-N 404.559 1.787 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507953160 CYGMTOFIIFQXGQ-GJZGRUSLSA-N 416.569 1.160 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1508071439 CDTPKPAXJOWTSD-UHFFFAOYSA-N 400.458 1.380 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1509948647 BKGWTLMMMNXWRG-JKSUJKDBSA-N 417.539 1.816 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1514299680 JKAAXRJHDXSMSH-OHTQGHCMSA-N 417.514 1.568 30 10 HDEE CCOCc1nnc(N2CCSC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1516622145 JOCWIYMSVDJKOF-PHODEOQFSA-N 406.512 1.283 30 10 HDEE COC[C@H](Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1)OC 1518726576 DFLOBZZXPNAVLE-JNAXZKDPSA-N 417.441 1.894 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1519034875 CVOVWDAPYGTKDL-JOCHJYFZSA-N 424.505 1.872 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1519101502 BHCOFJWHOQKKRB-UHFFFAOYSA-N 421.461 1.354 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NC(=O)C(F)(F)c1cc(F)cc(F)c1)C(F)(F)F 1525629862 ZSCSJFABGKIMAW-JTQLQIEISA-N 410.311 1.995 30 10 HDEE C=CCn1cc(CNC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)nn1 1529264849 LLBQOBNJGWXEGD-WIYYLYMNSA-N 413.478 1.897 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3cccc(F)c3)OCC2(C)C)C1=O 1532752119 UGBZVKZJKCMDIH-HNNXBMFYSA-N 403.410 1.481 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1539032114 SWQOMNAPFDHFGO-HNNXBMFYSA-N 423.514 1.782 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCn1cc(CO)nn1 1539161941 QUDMEIRHYJHXDF-UHFFFAOYSA-N 403.849 1.981 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCC(O)CC1 1539250885 UONZKEXSZIZEAP-UHFFFAOYSA-N 412.925 1.913 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)C(C)(C)C 1539409208 SBOYKUABFUTNHK-UHFFFAOYSA-N 406.512 1.034 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1c(C)nn(C)c1C 1539420423 DRFUHQWOYQRCMG-UHFFFAOYSA-N 410.526 1.624 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCc3nccn3C2)CC1 1539828007 CSKBIYUTJSOGRX-JKSUJKDBSA-N 419.555 1.504 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCCS(C)(=O)=O)CC1 1539853694 BKCICMPQURPSKK-UHFFFAOYSA-N 422.555 1.357 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1=O 1539965120 WTNFNXPGTKZCEE-CQSZACIVSA-N 408.361 1.279 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1CSC 1540897290 GBKXAHOLADJMLJ-AWEZNQCLSA-N 415.585 1.349 30 10 HDEE C[C@]1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)COc2ccccc2O1 1542058080 NDFMOFGLLANLQR-FQEVSTJZSA-N 415.471 1.838 30 10 HDEE N#Cc1c(CCCNC(=O)C[C@H]2CCCS2(=O)=O)nn(-c2ccccc2)c1N 1543520921 KJXJKAIQJPIFCC-OAHLLOKOSA-N 401.492 1.342 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1545704376 XUCGHMFRXUZJGA-HOCLYGCPSA-N 402.524 1.964 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1)c1cc[nH]n1 1545853348 KLVGYPKERMSVHC-CRAIPNDOSA-N 414.462 1.978 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1555185238 GVTSDJCZCGWSDB-QINHECLXSA-N 404.515 1.598 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2COCCO2)c1 1555986835 CMUVGWVUWQALJN-IBGZPJMESA-N 424.505 1.714 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cc(C2CC2)nc(SC)c1C#N 1558042315 AKUZYURBVUSYKD-AWEZNQCLSA-N 405.476 1.977 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558104213 WGWVDVNMQXHJBH-KRWDZBQOSA-N 417.531 1.661 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1559056659 RFMOSMGMQVKTHC-HUUCEWRRSA-N 400.483 1.675 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(F)c(Br)cc1C)C(=O)OC 1561512334 VMOQPSSGKMNIGC-LBPRGKRZSA-N 410.261 1.919 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1562388418 ACTXHCJZRHKHRQ-UHFFFAOYSA-N 406.464 1.438 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCNC(=O)c2ccc(O)cc2)CC1 1566369836 XRKBCCRYJKWSCN-UHFFFAOYSA-N 415.490 1.889 30 10 HDEE COc1cc(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)ccc1C#N 1567435802 BLCLFQCIGNHFCP-UHFFFAOYSA-N 402.476 1.659 30 10 HDEE C=CCN(C(=O)C1=NN(CCO)C(=O)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1567605602 ACIKOOYRYBCVNL-GOSISDBHSA-N 401.463 1.146 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@](CC)(COC)C(=O)OC)ccc2c1=O 1570104369 FZENYVBCRRJQKE-LJQANCHMSA-N 405.476 1.569 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)nc1 1584637699 LXKLDLDPQVMQLP-HNNXBMFYSA-N 409.412 1.839 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@](O)(c2ccccc2)C1 1584656195 DZBSCHXTFHJSIS-IERDGZPVSA-N 413.499 1.735 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1OC 1585387177 FGNXIMSNVAWADT-CYBMUJFWSA-N 409.851 1.999 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)n1 1586565726 ZBDUPHVJOOKCSD-AWEZNQCLSA-N 406.533 1.466 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1587807837 JKRYOGRVAKJJLH-CEXWTWQISA-N 405.543 1.572 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C)C1 1587848194 ZKSSFBISBGIJOO-HNNXBMFYSA-N 402.524 1.877 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCCS1(=O)=O 1587945395 JMFFNJOBYBAUOK-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1588034079 AWCPFZBNGYNYBP-MRXNPFEDSA-N 408.911 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1cc[nH]n1 1588241022 JHTDDWICPLHYBB-UHFFFAOYSA-N 422.518 1.250 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(O)CCN(C(C)C)CC1 1588638596 UNAIPVNSCSIKGJ-LJQANCHMSA-N 419.570 1.841 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](COC)C1 1589036950 RVUDDVDIMVATQK-MRXNPFEDSA-N 416.503 1.892 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1589109801 KEXTYMFJXHVYCI-IAGOWNOFSA-N 402.568 1.440 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H](C)C1 1589216199 LQWSINYGEHIDET-WOCWXWTJSA-N 406.552 1.987 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1593695374 DZRDFRZYCMYZRD-RDJZCZTQSA-N 418.542 1.504 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1595577356 QHFQFZBMENAUMY-GOSISDBHSA-N 417.470 1.014 30 10 HDEE C[C@@]1(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)COC(=O)N1 1596343945 WSPXFDBACPOAAF-IBGZPJMESA-N 420.491 1.229 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)/C=C/c3ccc(F)cc3)no2)cn1 1597272150 YQCJUGBFFHCQSQ-RRGWEWPQSA-N 411.393 1.792 30 10 HDEE CO[C@]1(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCS(=O)(=O)C1 1598279764 KLMWWNMMBLYEGQ-IBGZPJMESA-N 409.483 1.234 30 10 HDEE Cc1ccc(C(=O)NCCc2csc(N(C)C)n2)cc1S(=O)(=O)NCC#N 1611158253 GWIOKGGRRYOLGO-UHFFFAOYSA-N 407.521 1.292 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCC[C@H]1C 1612816304 GEHOSUQCTSUQHB-SJORKVTESA-N 407.522 1.968 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1613010208 ISMMQQNLUOXDGW-BTYIYWSLSA-N 410.478 1.432 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1618610726 HVIBYEDULMURES-RTBURBONSA-N 424.505 1.503 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1618672957 CJBICHHMERGHFB-UHFFFAOYSA-N 417.462 1.773 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C#N)C1 1619615364 BIZOBYDZSUIHDZ-HUUCEWRRSA-N 403.414 1.430 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CCCn2cnnn2)C1 1620348107 LQXGWDWMQVQTAB-HXUWFJFHSA-N 409.473 1.972 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCCCCCO)cc1 1620351715 GYUGVOHIFGNZNQ-KDURUIRLSA-N 413.478 1.843 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOCC(F)F)cc1 1620352322 PHYCKKCZUNYSGW-UHFFFAOYSA-N 420.420 1.337 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCCn1c(C)nc2ccccc21)c1cc[nH]n1 1625706054 LIGZIEHLWPFFQO-UHFFFAOYSA-N 412.450 1.558 30 10 HDEE C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626655237 AMWUVDCXJNOMRS-MKBNYLNASA-N 413.293 1.613 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NCc3ccc(OCC#N)cc3)=NO2)C1 1627858743 LTSSGUDZLNXXNR-UHFFFAOYSA-N 400.435 1.971 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@](C)(CO)OC 1628095496 HIVHAWLMBGMUTE-INIZCTEOSA-N 401.257 1.612 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 1629732150 QYYJNMXBYYTRPC-OTWHNJEPSA-N 417.506 1.893 30 10 HDEE C=C(Br)CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1630507049 STQKOIZERXNOJO-VIFPVBQESA-N 404.062 1.915 30 10 HDEE Cn1nc(C(F)(F)F)c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cnc21 1632880138 GXOBCWZZVPDFJJ-FOWTUZBSSA-N 408.340 1.243 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 1635881914 IAUPDXJPJAHJOA-QGZVFWFLSA-N 420.444 1.865 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)C1 1637121042 KKOGGNTYTBDLRS-AWEZNQCLSA-N 407.471 1.693 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641034050 ODGTWXRIQGMQFP-UHFFFAOYSA-N 408.336 1.834 30 10 HDEE N#Cc1cccc(C(=O)N2CC(n3cnc4c(N)nc(N)nc43)C2)c1Br 1645912796 MSXRYLKHRHXJKE-UHFFFAOYSA-N 413.239 1.322 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NC[C@H]2CCCN(CC#N)C2)C1 1650834228 ZNMMAOUFPXEIIY-LLGFUMIMSA-N 406.527 1.612 30 10 HDEE C[C@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOC2(CCC2)C1 1652140314 AHRUCOFWHJIYES-IBGZPJMESA-N 405.520 1.971 30 10 HDEE COC(=O)CC[C@@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1660016178 GOYGTBCHQUGIPT-INIZCTEOSA-N 403.483 1.169 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)OC1CN(C(=O)OC(C)(C)C)C1 1662840946 FAAABOXUZOWVSS-CYBMUJFWSA-N 402.455 1.615 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)C1 1676035765 WNWYHMVVYKVQJQ-QGZVFWFLSA-N 420.554 1.894 30 10 HDEE C=CCC[C@H](CO)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1680450576 HAXGDIGFHUNWDW-GFCCVEGCSA-N 410.414 1.985 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccsc3Br)C[C@H]1CS(=O)(=O)C2 1681980936 ZZHKOKFERFAPCZ-GWCFXTLKSA-N 404.311 1.590 30 10 HDEE Cc1cncc(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1 1683946481 RKYBXJQLLPPSLI-UHFFFAOYSA-N 407.434 1.979 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1684201914 RRNUCGXKKMJJMA-UHFFFAOYSA-N 400.526 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1689847779 HTSMSCJWQJIBLU-QRQCRPRQSA-N 422.489 1.455 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1 1690044790 AHDULRDDNSSTIF-IBGZPJMESA-N 405.502 1.968 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@H]2C)CC1 1690375559 NXEXXSSVQCFETD-SJORKVTESA-N 409.556 1.057 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1690607557 PPYYXZPAWZUCCH-MRXNPFEDSA-N 414.510 1.830 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](COC)C1 1690720534 LJZZWPNBKCMWOO-HNNXBMFYSA-N 424.498 1.537 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1698464412 XSQMLGOPHFRNFN-JGWKNBOWSA-N 414.510 1.761 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCCCCC2)CCO1 1698492321 DWIKGMPTYWGUJR-DLBZAZTESA-N 402.499 1.651 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1705541572 MWUFZPMFINMSTA-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCN(C)C)cc1 1705583004 OKGSFTYVXXJYEG-HXUWFJFHSA-N 407.518 1.844 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C)C(C)(C)C2)CC1 1705637593 DESKOFFFNFZDFV-UHFFFAOYSA-N 424.597 1.065 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(SC)cc2)CC1 1705638205 BZOXYHRXUJAQRV-LJQANCHMSA-N 424.574 1.949 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1705666271 AKMIWNFNMUORGG-NHCUHLMSSA-N 407.478 1.396 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCN(CC)CC2)CC1 1705762430 YLNJZKFMWQVMOM-UHFFFAOYSA-N 417.602 1.990 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(N)=O)C1 1705912353 HNWKBVVQLCADRL-AOMKIAJQSA-N 424.505 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C(C)C)C1 1705931811 BDAOJKFWZSRBSE-INIZCTEOSA-N 408.528 1.141 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1706583840 CNOAXXYGRGSEER-ZWKOTPCHSA-N 412.494 1.464 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1711352072 JQIGFVJAUHNQBL-QGZVFWFLSA-N 407.478 1.058 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1711916441 FRMDLFXNNJAXNX-RHSMWYFYSA-N 417.491 1.117 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2)n1Cc1cn(C2COC2)nn1 1712453735 YSABCYUHZVKPBU-UHFFFAOYSA-N 408.466 1.523 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1712459779 TXSSFMIXBOFZCE-HLIPFELVSA-N 405.499 1.834 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1722331008 SIQDUYLFLFVNKU-UHFFFAOYSA-N 403.508 1.449 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722335528 OJIAGFUJUBFVGJ-KRWDZBQOSA-N 417.560 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1722383521 UFPIXSFTPNTNJA-JOCHJYFZSA-N 401.474 1.068 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)CN1CCOCC1 1722423678 LZGCORDAUIYWGF-IBGZPJMESA-N 422.533 1.871 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccccc2F)CC1 1722433199 OZTCIMNGDDCPOS-QFIPXVFZSA-N 413.497 1.873 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCOCC2)CC1 1722569010 JMEBXINKKATLFL-SFHVURJKSA-N 402.543 1.525 30 10 HDEE C=CCCOCCn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722622902 VMNMFFLHNDSECM-XLIONFOSSA-N 404.559 1.558 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C)C1CC1 1722650247 UEEIVVDJXTXTEQ-UHFFFAOYSA-N 422.511 1.052 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1N(C)CCCC1(C)C 1722680090 WGGBGFFFBXGPHU-SJORKVTESA-N 404.559 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCS(=O)CC1 1722730569 WQJYALBZMCEPEF-UHFFFAOYSA-N 414.578 1.100 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C 1722874015 GFDDLFDAQZUGFS-ZIAGYGMSSA-N 418.523 1.163 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729116051 LMAGOIBHKXWSEX-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1729557094 UMLJGZVZQXBXIM-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1729617124 JSQAEBSYHNPQMB-FOIQADDNSA-N 406.531 1.829 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1729623674 BUWQQOONQOQPSN-AWEZNQCLSA-N 423.477 1.818 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1740589408 XVYFJAFKUPBJHP-UHFFFAOYSA-N 407.496 1.290 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C(C)C 1740654102 CYTBYFAJPLHQGE-UHFFFAOYSA-N 417.517 1.752 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccn(CC)c1=O 1740734278 XFDLFMHKBKGWHJ-JOCHJYFZSA-N 408.506 1.623 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740759995 NIXWXAKTZTXZGO-NQIIRXRSSA-N 418.586 1.668 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1740794182 RUQAAQVLDUTBED-IBGZPJMESA-N 410.522 1.984 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1740795950 JCSYGNJBTIRRNA-QGZVFWFLSA-N 402.499 1.732 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)OC(C)(C)C 1740940869 VIHWBDJGBKSTSX-CQSZACIVSA-N 408.503 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)noc2C)C1 1740982655 VPMXSFVCBKNFOV-HOTGVXAUSA-N 421.523 1.615 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1740986463 YMZZFLDOPMZWLV-UHFFFAOYSA-N 411.572 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740990126 JKJNVQMEGLCHQM-DNVCBOLYSA-N 421.523 1.258 30 10 HDEE Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1742793546 NRJNHAUJLXHYHV-ROUUACIJSA-N 406.556 1.921 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1743358921 OYZSWPWSYWDJQO-MEUCICPISA-N 408.462 1.697 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@@H](C)C(=O)NC)n1CCN/C(O)=C1\N=CC=CC1=O 1743558119 XDZZBZZKEICXGR-VTNSMKTPSA-N 417.514 1.136 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCc2ccco2)CC1 1748984797 RMEJWNXKNIIEEW-UHFFFAOYSA-N 404.474 1.610 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1749021926 CMUVYELABCCJGI-YOEHRIQHSA-N 415.585 1.260 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749038546 LBHKICWDSLFTOI-HLIPFELVSA-N 406.552 1.923 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1749283767 BPCFYQUIZVZQDA-QZTJIDSGSA-N 411.890 1.714 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C1CCCCC1 1749669172 HXXHOYZRYSPUTF-OAHLLOKOSA-N 409.556 1.641 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749839231 OYDRNTFSFWDXNB-QGZVFWFLSA-N 423.477 1.230 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCN(C)CC1 1750260555 FXCWXNDHWKZYIA-RDTXWAMCSA-N 421.546 1.499 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCc4oncc4C3)n2CC(=O)NCC(F)F)cc1 1750382715 JTKBCPIWQWWTJT-UHFFFAOYSA-N 413.388 1.749 30 10 HDEE C[C@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1752418650 BFSYTAZNBQYJRP-DOTOQJQBSA-N 401.515 1.080 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)OCCc2sccc21 1760201989 PSWQBGUBPGHUOO-KKSFZXQISA-N 409.515 1.852 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC=C 1760219307 APRYNCVBWNCYFZ-KRWDZBQOSA-N 405.524 1.040 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1760233830 PBVDUOPEBYSQDH-HZPDHXFCSA-N 402.524 1.099 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCN(C)C)cc2)CC1 1760266187 RSPNBJXKHVLJRD-UHFFFAOYSA-N 424.549 1.541 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1760286286 GZPLWODEXDIODR-OXQOHEQNSA-N 421.567 1.259 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)OC)CC1 1760402090 GWTSHUAJPCCPIZ-GDBMZVCRSA-N 413.544 1.048 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1760434014 XXQNEBWCDNEWSM-HNNXBMFYSA-N 424.571 1.446 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760445579 OQODYDRPPUJTLB-UHFFFAOYSA-N 406.531 1.568 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1760456462 PITDPQXLDOOSMI-OAHLLOKOSA-N 406.556 1.933 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1760456589 SIKVNPHFWQZZJG-CYBMUJFWSA-N 406.512 1.517 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCSC2)C1 1760550012 QEGDQWZSAFYAKA-DNVCBOLYSA-N 407.540 1.050 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760559184 KEWUGYWIUBGMRD-JKSUJKDBSA-N 418.567 1.490 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1760565137 OMWOZLGZRMFNQO-HNNXBMFYSA-N 406.556 1.501 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)CCOC1 1761291908 QDRZCWRBLHWBHN-KSSFIOAISA-N 415.441 1.329 30 10 HDEE CCc1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763042872 LVVSVTKDHPTJNS-QBNCKDSPSA-N 424.509 1.713 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[S@](=O)C(C)(C)C 1763101354 FVXBCSVMFZXOFS-LJAQVGFWSA-N 415.567 1.981 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)c1 1770735790 OHHGLUMGCRIKEU-HXUWFJFHSA-N 421.505 1.392 30 10 HDEE COCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1771234531 QIAPASBSUUQQLE-LJQANCHMSA-N 423.477 1.481 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1771332601 KLCWDCGHXSDNQC-HMWBCQRISA-N 411.466 1.035 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1848602023 LQJFPWRETNJLOA-CRAIPNDOSA-N 423.510 1.472 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)CC1 1848693119 VIHASDNXJOKSGA-UHFFFAOYSA-N 421.910 1.893 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCO[C@@H](C#N)C1 1850775083 DFDAJDOFCYZCCT-LRDDRELGSA-N 417.890 1.923 30 10 HDEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccccc2C#N)CC1 1851138980 UBIAADHXCHTRFC-LJQANCHMSA-N 412.515 1.367 30 10 HDEE COCc1ccc(CC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1851217448 WRFSDUJVUDTLNB-UHFFFAOYSA-N 404.474 1.904 30 10 HDEE CS(=O)(=O)c1ccccc1OCC(=O)NCC#CCN1CCc2ccccc2C1 1852021788 SYGPKUZXIFVQOG-UHFFFAOYSA-N 412.511 1.647 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccc(C)cc4)n3[nH]2)CC1=O 1852330821 MFYFITBPPVJUQU-CVEARBPZSA-N 420.473 1.968 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(COc2ncccc2C#N)CC1 1852983265 XIVWOGLQXBDFJX-KRWDZBQOSA-N 406.508 1.385 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(N4CCOCC4)cc3)C(=O)C2)s1 1853653058 KSVAEZUMJNMMGA-UHFFFAOYSA-N 410.499 1.941 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853691261 MUUKPPZLYSHDAA-RBUKOAKNSA-N 420.529 1.972 30 10 HDEE CCn1cc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c(C)n1 1854271644 VLSXIMPXSGQZGD-SFHVURJKSA-N 408.462 1.373 30 10 HDEE CC(C)(C)c1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cn1 1854438661 YYZLHODZPPPBQK-UHFFFAOYSA-N 418.519 1.830 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)COc3ccc(F)cc3)C(=O)C2)C1 1855005359 AFFHRUASPMCXQQ-WMZOPIPTSA-N 402.470 1.642 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4c(c3)ncn4C)C(=O)C2)C1 1855005491 CSUYLRVLBFVGIW-FUHWJXTLSA-N 408.506 1.624 30 10 HDEE Cn1nccc1C(=O)N1CCC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855165251 PJRLJUMVVJYORQ-HXUWFJFHSA-N 407.474 1.966 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1 1855423216 ACDOBLQLQWPPLU-NVXWUHKLSA-N 409.552 1.216 30 10 HDEE CCOCC(=O)N1CCC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1855573817 GSMIGRZAHUTSHM-SFHVURJKSA-N 400.479 1.598 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ccnnc4)CC3)CC2=O)cc1C#N 1856360163 YYWLPJKKAFQPAB-QGZVFWFLSA-N 404.474 1.468 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC(N4CCCC4=O)CC3)CCC2=O)ccn1 1856956786 QSBPTHPZJOXRJA-INIZCTEOSA-N 409.490 1.419 30 10 HDEE Cc1nc2ccccc2n1C1CN([C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1857108390 RKEVPPYYNVNXOM-FQEVSTJZSA-N 400.442 1.909 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3ccc4c(c3)OCO4)C2=O)C1 1857111670 HVNTUYJCKDZOQD-INIZCTEOSA-N 406.398 1.186 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C(=O)C2)C1 1857153005 FYHDTRZOMIVFLV-OAHLLOKOSA-N 409.412 1.763 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1857242222 AVAWHGWFQSADAN-INIZCTEOSA-N 409.552 1.074 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@@H]1CCN(C)C1=O 1857269369 MHVJPESPKLBBRT-GXTWGEPZSA-N 409.437 1.065 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3cccnc3n2)C1)[C@H]1CCN(C)C1=O 1857299903 WHIWAIHXARGHGS-YJBOKZPZSA-N 407.474 1.337 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCC(C(=O)OCC)CC2)n1 1858763418 ZNOQYZZZPMDATI-UHFFFAOYSA-N 417.462 1.945 30 10 HDEE C=CCOc1cn(Cc2ccncc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870384988 BUALUAVEEKENLQ-UHFFFAOYSA-N 418.501 1.969 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1ccc(OC)cc1OC 1872679901 VUSRZIKVZXCMOY-UHFFFAOYSA-N 402.407 1.919 30 10 HDEE COCCc1nnc(SCCO)n1/N=C/c1cc(Br)ccc1O 1874474930 ZTCQNSPSYXBEDO-CXUHLZMHSA-N 401.286 1.902 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)cn3)CC2)CC1 1889239002 ZWJIAQLBIFPGBV-UHFFFAOYSA-N 402.514 1.871 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](CCO)C1 1982283631 PSKGRLSPNVXHFE-GFCCVEGCSA-N 413.334 1.529 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025899166 JRECEOAFPGWTIF-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE CCN1CCN(c2c(C=C3SC(=S)N(C)C3=O)c(C)c(C#N)c(=O)n2C)CC1 2040470087 CWTZHDBIWLPWRK-UHFFFAOYSA-N 417.560 1.538 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cccc(Cl)c3)s[nH]2)OC1(C)C 2110112608 ZKUUJHJKNQWWFS-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 2142097237 KTTDAHVMXFAFCL-MGPQQGTHSA-N 404.554 1.280 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCCNC(=O)OC(C)(C)C 2241408916 NMYOGAPEOMAMDS-CQSZACIVSA-N 401.504 1.801 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247820189 NCPRQFTXFRMKJY-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2)OC1(C)C 2247939985 MQWSMQXOACOJIB-UHFFFAOYSA-N 411.311 1.291 30 10 HDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258184770 MIUISORRZCMDDF-CYBMUJFWSA-N 424.397 1.746 30 10 HDEE C#C[C@H](C1CC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258190506 ZRRDOHFGRDJMJE-DLBZAZTESA-N 408.476 1.128 30 10 HDEE C=CC[C@]1(CO)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2259474151 RJFUSZBTPOKYDQ-FQEVSTJZSA-N 406.504 1.653 30 10 HDEE CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267358175 XIBOYXFDWBJPGN-QMMMGPOBSA-N 408.738 1.114 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267709803 IFSMMNOVFMGBBH-DEOSSOPVSA-N 407.388 1.235 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270507233 CEJCTAWUUNRDHB-WMZOPIPTSA-N 422.503 1.520 30 10 HDEE Cc1sc(C(=O)NC[C@@H](C)S(C)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281938370 NAIHZKXOLXZCTA-SNVBAGLBSA-N 401.359 1.827 30 10 HDEE CCNC(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282063801 QREQFGGXOIQYCQ-UHFFFAOYSA-N 401.725 1.750 30 10 HDEE CC[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282492866 QSEGXZAYCVMSIC-JSGCOSHPSA-N 401.359 1.580 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](C)N(C)C)c1B1OC(C)(C)C(C)(C)O1 2282498931 LITAEFZAJCJQQC-NSHDSACASA-N 402.391 1.893 30 10 HDEE CC1(C)CC[C@@H](N)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502616 NQQVWPCNPKPACL-GFCCVEGCSA-N 400.375 1.938 30 10 HDEE C[C@H]1C[C@@H](CN)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507055 BFUDCYHDAWQRCS-STQMWFEESA-N 400.375 1.546 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(N)CCOCC3)sc2Cl)OC1(C)C 2282613303 ALBSMMZLDMMVMV-UHFFFAOYSA-N 400.737 1.938 30 10 HDEE CN(C[C@@H]1CNCCO1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282620705 ISHUAEKSLPICNB-NSHDSACASA-N 400.737 1.761 30 10 HDEE CNCC[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282830437 UORDRGJTUQGDHZ-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE CC[C@@H](O)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282831766 DQJKHTWAVHVDID-GFCCVEGCSA-N 404.363 1.365 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CN)C3CC3)c(Cl)c2)OC1(C)C 2282844561 FYFDWJNVTKGOKC-CQSZACIVSA-N 400.737 1.655 30 10 HDEE C[C@@H]1CC[C@@H](CO)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877613 UKYPYQFAXOMNRC-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2282882256 IZQGIGHUJZEXPK-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE CC1(C)[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284408047 RTWWQFJPEPEMSR-VXGBXAGGSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCC2(O)CC2)OC1(C)C 2285709718 YEVSNRLVYZKGTE-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE COc1cccc(C(=O)C=CC(=O)N[C@@H]2CCCCN2[C@H]2C(=O)CSC2=O)c1 2320940925 XXQMEBCUDJYECU-HKUYNNGSSA-N 402.472 1.573 30 10 HDEE CC1(C)COC[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2361152758 DEZYLXALOBFIOW-LBPRGKRZSA-N 401.359 1.998 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 2365203126 HUNYOJUENJGVHY-HNAYVOBHSA-N 402.557 1.723 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1 2365207500 OUASVQUOSJGAIL-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C#CC(C)(C)S(C)(=O)=O)(OCCC(=O)O)C1 2365243864 PPZTZTUUIYGBOG-GOSISDBHSA-N 403.497 1.684 30 10 HDEE CC[C@](C#CC1(S(C)(=O)=O)CCC1)(CNC(=O)OC(C)(C)C)OCC(=O)O 2367788909 QAVWQIYNXCDWAR-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)C1COC1 2367789306 RKAJTCJVCKAOKI-JKSUJKDBSA-N 400.541 1.475 30 10 HDEE COCC[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367797720 NZESLJGTUJGUCL-HNAYVOBHSA-N 401.525 1.734 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@H](O)c2cccc(I)c2)CC1 2367815376 FAGUZCVXUGGGHB-QWHCGFSZSA-N 405.257 1.233 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCC(NC(=O)OC(C)(C)C)CC1 2367818602 NESGOUFQBLRAPF-HVEKOLDVSA-N 400.541 1.353 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21 21944475 PNYXASNVSUZTGZ-UHFFFAOYSA-N 410.518 1.826 30 10 HDEE C=CCNC(=O)c1cn(C)nc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1 65152050 JHMSQXSDVPSVDR-UHFFFAOYSA-N 417.535 1.464 30 10 HDEE COc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1OC 70897021 USKFBLCRTIDMTA-UHFFFAOYSA-N 423.473 1.942 30 10 HDEE Cc1cc(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)n2ncnc2n1 97286933 VVSDEKQHFYPCSW-GOSISDBHSA-N 418.505 1.890 30 10 HDEE CC1(C)OB(c2cnc(N(CC3CCN(CCO)CC3)C3CC3)nc2)OC1(C)C 204876707 OBAWXSSEWFEQHM-UHFFFAOYSA-N 402.348 1.449 30 10 HDEE CC[C@H](C)NC(=O)CSc1nnc(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])[nH]1 253566786 JJXMESCAQATGIW-AYNSVGMASA-N 423.455 1.880 30 10 HDEE C=C(Cn1cnc(I)c1I)C(=O)O 307132785 LXXPIJPEKLALPI-UHFFFAOYSA-N 403.945 1.733 30 10 HDEE COc1cc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)ccc1C#N 460569498 AVIHSQLSWDZZSN-OAQYLSRUSA-N 418.453 1.659 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(N2CCCC2=O)ccc1F 465279215 XYMCFGOITPGNKF-CQSZACIVSA-N 408.437 1.965 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O 469826912 AAMAGPDWXAWTLJ-BXWFABGCSA-N 401.511 1.537 30 10 HDEE C=CCn1c(O)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 470835658 HOHXIBMNEOZEDH-MNOVXSKESA-N 411.509 1.175 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c(C(F)(F)F)c1 474208484 VELZDBSILUZZIO-CQSZACIVSA-N 417.409 1.635 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 480047562 AFAUYXLBWVZRDY-UHFFFAOYSA-N 405.418 1.585 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@H](CC)CO)CC2)c(C#N)cn1CCOC 481403212 OIEJHYACNKUELZ-MRXNPFEDSA-N 421.498 1.103 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)n2)CC1 490252310 QHBRAOWXJYTDRQ-HXUWFJFHSA-N 418.501 1.236 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 508497600 MIWVCKFRTOVVGF-UONOGXRCSA-N 401.558 1.129 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 508921291 LGQQAGUSGYZHJT-INIZCTEOSA-N 409.487 1.573 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl 509805082 MRZZOAHDUNNACN-GFCCVEGCSA-N 407.897 1.490 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@]3(CCCOC3)C2)CC1 510641914 WNNKPKYNIHXDFE-PXNSSMCTSA-N 404.536 1.338 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 524693810 MNHYIJVFLLAUIC-LJQANCHMSA-N 405.520 1.186 30 10 HDEE C[C@@H](O)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 533303456 YCNZWXQMYZFEDO-OAHLLOKOSA-N 413.478 1.548 30 10 HDEE Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544842387 JFGBWHBOHMDSNX-UHFFFAOYSA-N 402.524 1.934 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CCOC)[C@H](CC)C1 549247789 CONIQJMMZSVIBC-JKSUJKDBSA-N 414.576 1.011 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 558990141 MUXQOALQBYUMRB-HXUWFJFHSA-N 414.535 1.952 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 570742641 UEBRRGWUNYMDLS-MRXNPFEDSA-N 413.544 1.192 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnn(-c3ccccn3)c2N)cc1 590200327 XVHYQCPHPNJNPD-MRXNPFEDSA-N 419.470 1.875 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603799791 UDRMLVWIRIVDDT-CQSZACIVSA-N 415.540 1.276 30 10 HDEE COc1cc(NC(=O)CN(C)CCS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 611090250 KVSLAGOWLNAEFK-UHFFFAOYSA-N 417.487 1.920 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)O 681557659 XBSWPPOWZBNIPX-NSHDSACASA-N 408.270 1.782 30 10 HDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(Cc2cccc(OC)n2)C1=O 726114960 NNELOZFQIIJXRR-MLVIZHJXSA-N 413.503 1.664 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)[C@H]1CCS(=O)(=O)C1 729332006 SRSOFJFNKGXZBL-KRWDZBQOSA-N 401.488 1.052 30 10 HDEE CC1CCN(c2ccc(CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cn2)CC1 732443605 AJAXTFKJSHRQFX-FMQUCBEESA-N 412.494 1.644 30 10 HDEE COc1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C#N 747065558 ZZLAPQSGVLHXLS-GOSISDBHSA-N 417.425 1.960 30 10 HDEE Cc1cc(C(=O)COC(=O)c2cc(C#N)cn2C)c(C)n1[C@H]1CCS(=O)(=O)C1 751727961 DBVYOIVTKYNLEQ-HNNXBMFYSA-N 403.460 1.714 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1nccn1CCc1ccccc1 751791805 ASFZIHPRYYEMLM-FMQUCBEESA-N 408.462 1.451 30 10 HDEE CCC(=O)NCc1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC 751990169 RNSNNIMXPAPQES-MRXNPFEDSA-N 406.508 1.082 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767629432 USUFTDLGHXMZSF-ZDUSSCGKSA-N 402.428 1.660 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=NNC3=NC(=O)C(=O)N3)c3ccccc3O2)C1 769588276 BOQUTSHMHHEWRA-HXUWFJFHSA-N 413.434 1.155 30 10 HDEE Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771539671 ROLUHQDFANCYSD-HNNXBMFYSA-N 413.507 1.361 30 10 HDEE C#CCN(C(=O)NCc1cc(Cl)c2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 774029214 LWTISYARWGGIQV-CQSZACIVSA-N 412.895 1.833 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H](O)c2ccco2)CC1 774661234 NCALECMUCWXGDZ-GBESFXJTSA-N 404.511 1.096 30 10 HDEE C#CCN(C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 776266616 VYAPIZZYKKTLML-PMACEKPBSA-N 403.548 1.729 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 780885475 FYHRLHJMZKLPDA-INIZCTEOSA-N 400.416 1.546 30 10 HDEE COCCOc1cc(OC)ccc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 788347655 DTWKAEDODHBERS-UHFFFAOYSA-N 404.444 1.852 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1Cc1ccon1 790360179 DRTGISUIDRLLLO-UHFFFAOYSA-N 400.423 1.158 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncnn1C(C)C 798134897 HEGJXBABXLUHRB-OAHLLOKOSA-N 418.523 1.773 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCN(C)CC2)c(Br)c1)n1cnc(C#N)n1 798503466 KOLBPLWJIJNRHH-GFCCVEGCSA-N 418.299 1.864 30 10 HDEE C#CCN(CC#C)C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 802564204 SMZSYDYEBROUIY-UHFFFAOYSA-N 423.516 1.716 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273283 BFUMUWXDEXWDIY-UHFFFAOYSA-N 404.442 1.639 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3)n[nH]2)cn1 1083983508 TTXKNKBINSEDKR-UHFFFAOYSA-N 400.468 1.824 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H]4CC[C@H]3[C@@H](CO)C4)CC2)cc1 1117681232 DQXKYJYFZXXMOC-AOIWGVFYSA-N 403.504 1.331 30 10 HDEE C#CCN(C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1nccs1 1126809670 JVNIXADVVSTVDG-UHFFFAOYSA-N 408.505 1.002 30 10 HDEE N#CCOc1cccc(CC(=O)NCCNC(=O)c2ccc(Br)cn2)c1 1130885196 RBWYHQOGPZKHPE-UHFFFAOYSA-N 417.263 1.835 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)OCC 1132415381 RJIVZJFFMQUFSY-LLVKDONJSA-N 404.828 1.802 30 10 HDEE CC(C)(C)n1ncc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1Br 1136671523 KTZCYMFRYOZBGP-NTCAYCPXSA-N 410.272 1.657 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCC#C[Si](C)(C)C)C1 1146802821 HGSDFRFMZVMKBN-MRXNPFEDSA-N 410.616 1.814 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC[C@]3(O)C(=O)Nc4ccccc43)CC2)o1 1153784952 CAHRTPYQKPPWSV-OAQYLSRUSA-N 409.446 1.417 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1 1163652312 OOHDMPPIEPDQIE-QGZVFWFLSA-N 415.494 1.236 30 10 HDEE Cn1ccc(=NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)nc1O 1164197947 HJVGWUSSLUFXLJ-KRWDZBQOSA-N 409.446 1.959 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)c1 1177321591 KEUPOUHREFWYBR-AWEZNQCLSA-N 405.442 1.907 30 10 HDEE Cn1c(=O)[nH]c(N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c(C#N)c1=O 1185126414 HJUCLWNWZWBRLG-UHFFFAOYSA-N 408.487 1.391 30 10 HDEE COC(=O)N1CCC[C@H](NS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1186410735 DHMYDCHWVDTIGN-JTQLQIEISA-N 420.260 1.969 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 1201368478 HSOSSCPCCXSJPP-UHFFFAOYSA-N 401.463 1.306 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)Cc1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1206576845 GFFPYURGMJCITK-UHFFFAOYSA-N 422.485 1.993 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)C1 1255366137 ZZHIGSIAGKLWCH-KGLIPLIRSA-N 406.284 1.104 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(=O)NCc2ccco2)CC1 1286495282 ZHGQTKWERAVYOM-UHFFFAOYSA-N 424.505 1.106 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286594210 FYBXGKRWKGREBJ-INIZCTEOSA-N 400.508 1.716 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286608264 OYZFZRSVSKGHPV-WNRNVDISSA-N 424.567 1.492 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286687819 RNNSAIDYEZMSKF-OKZBNKHCSA-N 402.543 1.742 30 10 HDEE C=CCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777571 GURBAVOIGXPQGX-KFWWJZLASA-N 404.515 1.902 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H](C)NC(=O)OC(C)(C)C 1289205163 NMTMUTNUDNXUTQ-GJRWTSMGSA-N 413.540 1.569 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](c1cnn(C)c1)c1noc(C)n1 1298587996 DKJNMEFSXHKZNV-HUUCEWRRSA-N 402.455 1.624 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1298681469 JYTLERXEYWSZQG-VAWYXSNFSA-N 402.472 1.919 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@@H]2C1 1300368280 TXBSLIFJFSQNOR-SFHVURJKSA-N 400.552 1.958 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1300806024 OLXHQHABNHCJMM-QFBILLFUSA-N 409.556 1.649 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCN(C(C)C)C1 1302099276 UECPQCXXNPUUPL-QRVBRYPASA-N 420.558 1.851 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC2=O)cc1C 1305589536 IZEZXQDIGOEUMA-OAHLLOKOSA-N 421.457 1.264 30 10 HDEE C[C@@H](C#N)CN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CC1 1307644302 QCUHQJWFQZKITI-DUPVFGOHSA-N 413.503 1.858 30 10 HDEE Cn1cc(CNC(=O)N2CCO[C@@H](c3ccnn3C)C2)c(-c2ccc(C#N)cc2)n1 1312478804 BGPXEVTZUQFKBW-LJQANCHMSA-N 405.462 1.975 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1313041793 GWUORSJMZDHFAY-CYBMUJFWSA-N 414.388 1.491 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1314633574 LRKCKPVWWAYSJG-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1315060471 XWLCYMFCVGEVPZ-UHFFFAOYSA-N 423.481 1.114 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)c1 1319488919 HTNLMDSGLJLVQO-WOJBJXKFSA-N 415.490 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1358871431 FLABSGHMMXXMIB-MNOVXSKESA-N 413.491 1.642 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1359000534 YDGAONSJXLYWQH-WQANXHIZSA-N 413.547 1.934 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1359032162 DVCFXFJGIQURFY-KRWDZBQOSA-N 417.535 1.569 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCSC)CC1 1359034637 YNZODVCUUXJOPV-UHFFFAOYSA-N 416.551 1.904 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359058498 GEOWADMLPAFVON-HOTGVXAUSA-N 421.592 1.888 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359075659 BGZIYCSCGUVQAY-NWDGAFQWSA-N 411.304 1.040 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1359292753 WYHRHNHANJPBFP-UHFFFAOYSA-N 403.556 1.791 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1 1359299368 CVRDLXJYTWJEGV-MRXNPFEDSA-N 404.515 1.304 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccn(C)n2)C1 1359326480 BDKVVSOAVVWAOQ-UHOSZYNNSA-N 416.526 1.760 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1359329764 UCPBQYXCQDZDPY-CALCHBBNSA-N 406.508 1.396 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(C(=O)N(C)C)c1 1359465521 FDWWNZXQGIQYPF-OAHLLOKOSA-N 411.510 1.762 30 10 HDEE COCCCn1nc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)ccc1=O 1434982875 BOBILXNXSXOTRR-UHFFFAOYSA-N 423.473 1.642 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@@H]12 1437791251 LRAFISZQPQMXML-IPELMVKDSA-N 421.494 1.184 30 10 HDEE CN1CCC(C#N)(NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1443353075 BWKJLWDHPDHWSS-UHFFFAOYSA-N 405.930 1.802 30 10 HDEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1443540721 YRGNKOUNLLZGPS-HRZQKCLFSA-N 412.512 1.275 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(=O)NC)c1 1449102834 AFLBZNDPAWLBFB-KRWDZBQOSA-N 403.479 1.734 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(COC)COC)CC1 1451416361 DSCJCJWDGJVYHZ-UHFFFAOYSA-N 414.506 1.856 30 10 HDEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1452415553 CDZAFCDHEMLTTF-MJWGMMHASA-N 414.462 1.367 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc([C@@H]4NC(=O)NC4=O)cc3)CC2=O)cc1 1454159377 LMIBXJQWPUSOIQ-KSSFIOAISA-N 403.398 1.430 30 10 HDEE C[C@@H](CC(=O)NCc1c(F)ccc2nc[nH]c12)/N=C1/NS(=O)(=O)c2ccccc21 1454451317 TZCZOJFXNNTXMM-NSHDSACASA-N 415.450 1.836 30 10 HDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CCO2)O1 1455471716 OEXOOOLIENETDU-MNEFBYGVSA-N 403.454 1.903 30 10 HDEE CCOC(=O)[C@H](C)C1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1455505892 SCLLNZHHGMGVIC-QWHCGFSZSA-N 407.492 1.161 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1457827358 XHPCJMVNDDZSQK-OLZOCXBDSA-N 410.496 1.254 30 10 HDEE N#Cc1cccc(-c2nc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)n[nH]2)c1 1458050128 STSQHWCGMRNCOA-IRXDYDNUSA-N 406.446 1.723 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)C[C@H](C(=O)OC)C2)cc1 1465259163 NXYLPUGPLDZTPH-HNNXBMFYSA-N 424.523 1.062 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2ccn3C(F)F)CC1 1467012603 CEPMXLDVZJOKIZ-UHFFFAOYSA-N 411.434 1.654 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)nn1 1469216299 RSLBPWJOBQMXNX-CABNGKKXSA-N 411.384 1.066 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc(C#N)cc2)c1 1470075012 QPLBDYUUEJUASL-UHFFFAOYSA-N 401.488 1.764 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@](C)(C(=O)OCC)C3)n[nH]2)c1C 1471284322 KUVSIDUONHWQQJ-FQEVSTJZSA-N 401.467 1.870 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(C(F)(F)F)nc1)c1cc[nH]n1 1471706054 VINVIFQXNDOEEI-SNVBAGLBSA-N 413.356 1.985 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCN2CCNC2=S)nnc1-c1ccco1 1472465074 QVWXCPIKOUPVEO-UHFFFAOYSA-N 406.537 1.513 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4ccc(C#N)nn4)C3)[C@@H]2C1 1472860975 LUXRHXVYIRZQTO-ZNMIVQPWSA-N 400.439 1.367 30 10 HDEE C=CC(C)(C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1475528866 YQVDSVJHAKSFQB-UHFFFAOYSA-N 402.538 1.588 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)n1 1476736060 DOJDIFRZZLCWOR-UHFFFAOYSA-N 423.520 1.124 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N[C@@H](C)CC 1499162142 IKXRQWUTRMGQEV-INIZCTEOSA-N 410.526 1.739 30 10 HDEE COCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1504790249 ZZVQOGJSYFLOSI-QAPCUYQASA-N 412.560 1.835 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1504823748 NRKCSOAFWPMJPL-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1504992945 BHAWLIPWBJNXGU-WMZOPIPTSA-N 420.558 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1CCCO[C@H](C)C1 1507709874 CWRBCGZBKITQQT-GOSISDBHSA-N 413.526 1.322 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1507987743 KORWHPHDXSGVCI-OXJNMPFZSA-N 424.567 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1508075913 BXJAHBJSDOIFGS-MRXNPFEDSA-N 407.478 1.211 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cnc2ccccc21 1509692226 DFOIQKLWNZREQW-HNNXBMFYSA-N 408.466 1.195 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1509776422 AEYLAXAMAWYOGC-SFHVURJKSA-N 424.477 1.854 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1 1518057505 VMIBVSZJUMRTCX-SFHVURJKSA-N 417.466 1.090 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1519329234 PGUWMVGJSKYJGK-LAVAIGHBSA-N 419.526 1.936 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H]21 1519530660 MSWUSJZRLCDJDC-ZWKOTPCHSA-N 415.519 1.867 30 10 HDEE CCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1523979507 IDMAAMNLYAPCRH-UHFFFAOYSA-N 403.464 1.336 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1526520596 DREREOLNJVGSOL-SAKMYQHLSA-N 408.520 1.948 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC(N2CCCS2(=O)=O)CC1 1528806769 GHZQJUBZDLCRID-UHFFFAOYSA-N 406.508 1.235 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1529014770 NFPIUPIVULHNMW-RBUKOAKNSA-N 422.547 1.847 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CCC2=O)cn1 1530967321 WVKFXFNVQRTDSD-OALUTQOASA-N 406.490 1.400 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)O1 1538284234 IVEHXJMGPYKGSU-SQBLYHGDSA-N 417.481 1.945 30 10 HDEE Cn1c(=O)c2cc(C(=O)Nc3sc4c(c3C#N)C(C)(C)CC4)n(C)c2n(C)c1=O 1538379117 UKFSBLCOSXMQFF-UHFFFAOYSA-N 411.487 1.985 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539222333 VMXGJQHTIGAGLM-IRXDYDNUSA-N 418.523 1.112 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539331245 KSFCKHPDASZLOV-LJQANCHMSA-N 417.579 1.898 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(N)=O)c1 1539415941 IIBWXIWGDCZDFQ-IBGZPJMESA-N 411.506 1.600 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(O)cc2)CC1 1539459400 GDJVAOJWYGAKHG-UHFFFAOYSA-N 408.506 1.104 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1=O 1539923318 WWXPBEGBEYEATC-AWEZNQCLSA-N 422.482 1.117 30 10 HDEE CN(C)C(=O)CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1540427075 VUUVUODYCJNCJR-GOSISDBHSA-N 400.479 1.939 30 10 HDEE NC(=O)c1cn(CCC(=O)Nc2cccc(C#Cc3cccs3)c2)c(=O)nc1O 1540721879 UYDWCQYUARMOJJ-UHFFFAOYSA-N 408.439 1.538 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@]1(OCC)CCOC1 1540876654 XONWBAQEOIDLOH-YWZLYKJASA-N 407.515 1.094 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1540891493 VCHQTZDFDCFROD-KZNAEPCWSA-N 419.526 1.058 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 1544630960 XVTHJBHZSXKPCM-FQEVSTJZSA-N 404.467 1.183 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N(C)C 1555614475 LCOQHONWVCOPMS-OAHLLOKOSA-N 400.483 1.598 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCN(C)C)CC(=O)N(C)C)n[nH]2)c1C 1557433831 OOYFTHMWPDKMPR-UHFFFAOYSA-N 401.515 1.168 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](n2ccnn2)CC1 1557709318 VYHGFPPEAKABAR-ZBFHGGJFSA-N 402.480 1.070 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CCc4c(sc(N)c4C#N)C3)=NO2)C1 1558676180 OXMPTFSJPLQOTK-UHFFFAOYSA-N 417.491 1.852 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC[C@H]2CC[C@H](C3OCCO3)O2)C1 1558962991 SMARVBWIUJOYIC-ZJIFWQFVSA-N 409.483 1.562 30 10 HDEE C#C[C@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCOCC1 1565106998 YYPPYUNUNXSIMC-HNNXBMFYSA-N 424.479 1.138 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)C1 1567388501 YLNBMBWWXURNDT-DUVNUKRYSA-N 402.426 1.812 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-c3nn[nH]n3)cn2)CC1 1568492185 DSLKHYODNSKWAX-KRWDZBQOSA-N 408.853 1.938 30 10 HDEE O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)C#CC2CC2)C1 1572870601 YIXMWVSRJYYYCD-ASPUVNIQSA-N 420.509 1.424 30 10 HDEE COC(=O)CCN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)[C@H](C)C1 1583696607 BDOKSXQXNRNLGU-CYBMUJFWSA-N 424.295 1.795 30 10 HDEE CO[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)s1 1585660344 KTNSTOZCKKWIFU-MRCXROJRSA-N 419.322 1.595 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C(=O)OCC 1587286034 RKXUJVASPGCYQM-OAHLLOKOSA-N 403.884 1.186 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1588024878 PGQVLRNCJYHYNW-VJANTYMQSA-N 405.543 1.571 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1588050630 UBXUICFJTWKMLC-MRXNPFEDSA-N 405.524 1.717 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC2CC2)nc1 1588074208 KUSVHAXRSYWFRX-UHFFFAOYSA-N 406.490 1.721 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)c2S1(=O)=O 1588106479 UMLQXVFOPRCFMC-ZDUSSCGKSA-N 413.381 1.422 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2CCC)CC1 1588848700 LSLOFPKSZQEANX-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(O)CCC[C@H]2C)CC1 1588929572 CYAAKNIBHGNJPT-RADWXHQJSA-N 415.538 1.299 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1593740498 BKQMIPBHPBQQNG-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=C(C)COCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OCC)CCOC1 1593769499 OJRBABGJJJZKOI-HXUWFJFHSA-N 417.514 1.443 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594511265 MYRBYEVPSLRMTI-QGZVFWFLSA-N 423.521 1.013 30 10 HDEE Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611166444 ZPSQJRHFQPUINB-WQGACYEGSA-N 417.409 1.730 30 10 HDEE Cc1ccc(C(=O)N2CC(n3cc([C@@H](C)O)nn3)C2)cc1B1OC(C)(C)C(C)(C)O1 1611166577 WFZLCTUPRCPUAE-CQSZACIVSA-N 412.299 1.636 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1 1611638591 FUCBYDCRUWOEDQ-INIZCTEOSA-N 407.879 1.210 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOCC2)cs1 1612390725 LOFRVZAGIWMKEU-OAHLLOKOSA-N 403.556 1.952 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1=O 1615827576 USAINVKQSTYHKM-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE N#CCN1CCC(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 1617361199 XCIIOCYKQNNXRB-UHFFFAOYSA-N 406.508 1.142 30 10 HDEE N#C[C@]12CN(C[C@@H](O)c3ccc(F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1620635526 QHGNQKUEAKSUJF-NILFDRSVSA-N 403.273 1.492 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCc1cccc(S(N)(=O)=O)c1 1624388608 RVPMFVYHCYEKGS-UHFFFAOYSA-N 408.277 1.827 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)CCO2 1625877366 VIONFCZPTQLYJD-DBWCEAHUSA-N 401.463 1.825 30 10 HDEE COc1c[nH]c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cc1=O 1626004184 MURKZOQGBPQUFL-FXBPSFAMSA-N 404.448 1.449 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCCCCCS(N)(=O)=O)C2=O)cc1 1626694513 CGAJMMXZXGGZGN-KRWDZBQOSA-N 406.508 1.014 30 10 HDEE N#Cc1cccc(OCCCCC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1 1627880264 OTPRGBFNCZVFSE-UHFFFAOYSA-N 406.504 1.914 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268473 JTIMWLXUFQUGTF-MRXNPFEDSA-N 417.466 1.058 30 10 HDEE COc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C 1629484535 APJQTJZXVZJOEG-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1631208947 RPAKAKUGSWCRTM-BBWFWOEESA-N 424.542 1.963 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F 1633150875 SXOBPHVZQLRXMM-GFCCVEGCSA-N 405.327 1.825 30 10 HDEE CN(CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)c1ncnc2[nH]cnc12 1633528581 DRWPHNWIWXATDV-UHFFFAOYSA-N 400.292 1.874 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(I)cc1OC)C(=O)OC 1634063944 TYSAXSDPDVDKBC-GFCCVEGCSA-N 419.215 1.774 30 10 HDEE CCN1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1635494566 JRFGHVKLKAXUOL-CQSZACIVSA-N 413.457 1.318 30 10 HDEE C#CCn1cc(CNC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)cn1 1635749489 NBWHZQNVJMJFJS-UHFFFAOYSA-N 412.837 1.583 30 10 HDEE CS(=O)(=O)NCCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463342 GHMKHSDNYREHQS-RNFRBKRXSA-N 418.306 1.555 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2O)c1 1638362563 VCKGQJKJMMJIGG-UHFFFAOYSA-N 422.484 1.350 30 10 HDEE C#CCN1CCC(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 1638678648 OTFXWLYZRPIPCD-UHFFFAOYSA-N 420.307 1.778 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3cncc(C#N)c3)cc2)C[C@@H](C)O1 1638830876 USULIDYTYWXUBE-HUUCEWRRSA-N 414.487 1.681 30 10 HDEE N#C[C@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CCc2ccccc2C1 1638848476 SOLVIHINNWXJRZ-GCJKJVERSA-N 408.433 1.367 30 10 HDEE N#CCc1ccc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1638989542 WVOQYSHMUAFTJP-KRWDZBQOSA-N 407.879 1.362 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1640062870 ZNGBECZCDVCNOP-NDGTYSDOSA-N 408.417 1.693 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@](O)(c2ccccc2)C1)c1cc[nH]n1 1640563079 UVVKAMHXMMELGA-HXUWFJFHSA-N 400.435 1.204 30 10 HDEE N#Cc1ccc(CNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)cc1 1640790517 AMAKBUIYLOZWCK-CQSZACIVSA-N 406.489 1.327 30 10 HDEE O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)N[C@H]1CCN(O)C1=O 1641379221 RJQBZVQMXYZKDG-JTQLQIEISA-N 408.505 1.615 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(O)C1=O 1641379404 XKZDFCKRHHEALS-JKSUJKDBSA-N 402.451 1.710 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c(=O)nc1O 1642290908 GNRCUOBYFLQQPB-ZDUSSCGKSA-N 405.817 1.398 30 10 HDEE C=C(C)C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OC 1643610012 BKZFSYKJUQOEOX-ZETCQYMHSA-N 410.066 1.427 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1645634925 FQTBUQQWZDXBAZ-YUELXQCFSA-N 416.444 1.485 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1648224225 RAZPRBYODFBJNF-AWEZNQCLSA-N 424.479 1.078 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1CN1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1652817854 CYIPELDZAKEOFI-UHFFFAOYSA-N 411.443 1.733 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1 1655372653 YIDUKIGZYOYTHY-UHFFFAOYSA-N 408.501 1.427 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)CCC1 1655701854 VQHZZOSXPFNDTJ-GCJKJVERSA-N 402.491 1.663 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1655897063 ABUUABZRIVTSHR-INIZCTEOSA-N 414.549 1.222 30 10 HDEE C=C(C)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1655946724 CADKMZBJBUQNFS-NEPJUHHUSA-N 414.446 1.746 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)CC1 1660865572 FDNFRGQKIIEBMQ-UHFFFAOYSA-N 400.504 1.878 30 10 HDEE C=CCCSCCNS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1662987597 NDCJODUEKUIQNN-KRWDZBQOSA-N 413.521 1.337 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCO1 1663479167 XBPDYHHIPUQGSK-QYZOEREBSA-N 406.504 1.745 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 1664330234 MCWNCKMOQQEUPU-MRXNPFEDSA-N 406.504 1.917 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 1665602701 FJKRCUIQWRBPOS-UHFFFAOYSA-N 416.565 1.713 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1cnn2cc(Br)cnc12 1667312888 JIUGSNIMTNQVER-UHFFFAOYSA-N 421.276 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2C#Cc2ccccc2)CC1 1667706284 FXLZNZJJAVOAAS-UHFFFAOYSA-N 422.510 1.704 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cn(C)cc(Br)c2=O)c1 1670093042 MVBSLPBKUSJTHL-UHFFFAOYSA-N 403.236 1.889 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1673308973 YRWOYCMHNCLSRG-UHFFFAOYSA-N 422.551 1.347 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)nn1 1680276729 VAUAGEBMAIDUDC-KRWDZBQOSA-N 404.421 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1680957346 DYHOAQQEBBYHNI-INIZCTEOSA-N 407.515 1.695 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c2ncnn21 1683984598 DSLLCXYKNOIMSV-PXAZEXFGSA-N 423.456 1.995 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)n1 1685250934 QTUAYQGAARBHNP-BATSVXPKSA-N 418.494 1.175 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(c2ccncc2)CC1 1687835324 FPYKIWKNTJLGQM-INIZCTEOSA-N 406.494 1.632 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1690019920 UYHIFIUPTWZDKK-FQEVSTJZSA-N 422.485 1.795 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1690029854 JYZUHCSUZMPTHR-GOSISDBHSA-N 413.503 1.093 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1cn(C2COC2)nn1 1690042251 ZXQNBBIUELACGM-UHFFFAOYSA-N 417.473 1.628 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)C1 1690236881 SIDNNPNVNSSOCB-PBHICJAKSA-N 404.515 1.114 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCOC1 1690615757 QMXMZBDEQMGBIC-OAQYLSRUSA-N 416.478 1.507 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690655234 LRYNKISDNMKUMI-YESZJQIVSA-N 400.527 1.831 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCOCC2(CCC2)C1 1690660184 AYSCWBZCZVQWEG-MRXNPFEDSA-N 407.515 1.311 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690673559 XUURZBURUAHDSX-AWEZNQCLSA-N 423.514 1.180 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CC=CCC1 1692785910 MOVJCJWPISMYRB-MRXNPFEDSA-N 421.571 1.280 30 10 HDEE C[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1693808258 QGXIEGRBXGXAIC-MQINBFPNSA-N 400.483 1.686 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1696630968 KITAYEBMDACAHJ-GOSISDBHSA-N 417.535 1.993 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1697788216 XWNUGWCPLQPYCO-GDBMZVCRSA-N 416.457 1.380 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nncn1CC 1705575413 JRIVLSASOXEAFW-UHFFFAOYSA-N 405.462 1.695 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1705582492 CDCGMKCJRSYFEZ-LJQANCHMSA-N 412.515 1.470 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)C 1705604197 HRPGLCGRFALALU-YESZJQIVSA-N 411.572 1.799 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705693192 CTGYCGMMSROSNO-JYJNAYRXSA-N 404.515 1.099 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1705764086 NKVLJMXAMHGFMU-LEWJYISDSA-N 405.543 1.542 30 10 HDEE C=CCCOCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1705833232 YHTMAHCGTLYYTG-NRFANRHFSA-N 418.542 1.983 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCNC(=O)C1)C(C)C 1705867584 QLRDUCQRVXGWAY-GOSISDBHSA-N 412.542 1.313 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1706229131 YMPUBNMVUGNMFV-UHFFFAOYSA-N 424.509 1.828 30 10 HDEE CC(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1706466266 ANWNUCMZCLYHFD-OAHLLOKOSA-N 407.478 1.967 30 10 HDEE CC(C)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1706574247 TVSJKRJNPAOFKM-UHFFFAOYSA-N 420.477 1.969 30 10 HDEE Cc1nccn1CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1707788284 GQVQXULPBWKETE-UHFFFAOYSA-N 420.477 1.260 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1708756337 AHAFKALVESHEIE-QGZVFWFLSA-N 417.558 1.800 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[C@H]1COCCO1 1709137444 VCRITSKFNONMRH-INIZCTEOSA-N 414.485 1.983 30 10 HDEE CCN(CC)C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1710053573 BNDCMUPMTIXSIS-QGZVFWFLSA-N 420.525 1.557 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2CCS(=O)(=O)CC2)cn1 1711248556 DWBFDDDGTSSGIP-IBGZPJMESA-N 417.539 1.633 30 10 HDEE C=CCC1(C(=O)N2CCO[C@]3(CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C3)C2)CCC1 1718299623 WABDEUDOHDCENW-IKONFVELSA-N 400.519 1.986 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1722287926 STFKYVFJJAWCSE-HZPDHXFCSA-N 417.535 1.836 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1722296563 RQNJKYFOZXQWBZ-JKSUJKDBSA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722369327 XPOSVJOFTBSKGW-QGZVFWFLSA-N 400.504 1.926 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCC[C@@H]1C 1722428431 WEDAFCRLDCTBIH-RYLXDESZSA-N 406.527 1.639 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCO[C@H](C)C2)CC1 1722446035 KJBPBQAEBCIYMX-SJORKVTESA-N 423.521 1.516 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1722465620 PRCFLEWODZHABK-UHFFFAOYSA-N 424.523 1.597 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722554919 VMONVBXTNVVHSB-GOSISDBHSA-N 405.890 1.923 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@@H]1CCCCO1 1722640907 URFXTPIGUNLLKQ-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1722643839 CTPSDTVESCRDTE-SFHVURJKSA-N 415.586 1.695 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCn2cncn2)C1 1722710155 DUODYPBHHNCYFP-FXAWDEMLSA-N 417.514 1.392 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1724438315 MCJVNJFDLFDWCJ-GCJKJVERSA-N 424.505 1.681 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@@H]1COCCO1 1726398252 PKBUEOHLKSAWHJ-OAQYLSRUSA-N 410.522 1.976 30 10 HDEE CCOCc1nnc(N(C)CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728987454 TYDWSZDRPBBTTB-HNENSFHCSA-N 402.499 1.967 30 10 HDEE CO[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730372044 DCXPHRUDYGWIKI-RAJOGRCSSA-N 402.499 1.618 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOCC(F)(F)C(F)F)CCO1 1731187020 INJVZIXRJSCTHU-VXGBXAGGSA-N 407.368 1.775 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1740548349 FYUWXTUQIONRMA-CYBMUJFWSA-N 419.507 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1740554188 XCZDERZEFSYOKA-WBVHZDCISA-N 406.552 1.845 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCCC)c1 1740565003 GFIPTXYBDQFIAN-GOSISDBHSA-N 424.505 1.712 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1740616556 CLSVHHPSOJALOA-IBGZPJMESA-N 413.547 1.666 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)OC 1740684524 UCCUSDRASIDWEN-INIZCTEOSA-N 424.505 1.703 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCO2)CC1 1740701854 DUIGBHWPDRQGDA-WMZOPIPTSA-N 419.526 1.147 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCC(NC(=O)COC)CC1 1740748437 GJXRAXVLBWQYLB-UHFFFAOYSA-N 416.320 1.455 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1740957056 AASYTQRCDNAHML-OAQYLSRUSA-N 410.453 1.812 30 10 HDEE Cc1cc(CN(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)no1 1742124891 LGLBMPSULDSRCT-ZDUSSCGKSA-N 416.463 1.626 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1747218605 ADQCAZDBSSLYGE-INIZCTEOSA-N 419.507 1.190 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1747534613 FCBWPUVOMURKIJ-ZWKOTPCHSA-N 421.505 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1748672622 VSOUZKNAHBAHFR-KGLIPLIRSA-N 423.926 1.766 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1748699232 MWLBJKFBVWEMLB-INIZCTEOSA-N 408.572 1.366 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1748759652 MBXPZGMUIMSXKK-UHFFFAOYSA-N 414.535 1.645 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748775844 XXKSKWBYLXAFJX-HXUWFJFHSA-N 419.533 1.829 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748950317 LVIJQKKAVREZOU-QAETUUGQSA-N 409.556 1.411 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C2CC2)cs1 1748959987 CSNXCIKEPYLJNO-AWEZNQCLSA-N 400.508 1.697 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)CC1 1749329807 RZSYOQLBQYRXSP-LIRRHRJNSA-N 423.539 1.791 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC 1749599295 BBUVYQLNMHYNKF-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC2(CCC2)C1 1749734567 KQFUASSOHLHWCJ-MRXNPFEDSA-N 410.540 1.532 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N(C)C)CCSC1 1749831303 XUTRHJZWGPKLFE-PXNSSMCTSA-N 422.599 1.976 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1751094690 MYCIFNPEOPRXLD-OAFZBRQQSA-N 423.539 1.257 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1cn(C2COC2)nn1 1760221509 ZGJVJSCOQNYCSM-UHFFFAOYSA-N 407.503 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCS(=O)(=O)c1ccccc1 1760222842 ANARXTSNAJLTFX-UHFFFAOYSA-N 400.504 1.751 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C)C1CCCCC1 1760242809 PCKYCXKDOWEMAP-UHFFFAOYSA-N 416.570 1.865 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1760274001 FFEJKJXBWFXQPI-UONOGXRCSA-N 417.626 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1760294514 ZDTRTIGOTHCXPU-ZRGWGRIASA-N 405.524 1.189 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760408060 ZXIWFKJKWYGFCQ-OAHLLOKOSA-N 409.556 1.740 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1760449862 XCZOAWOJPYCADN-SFHVURJKSA-N 413.526 1.935 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CC(C)C)C1 1760547313 IGHSIFXVLCEJTP-QGZVFWFLSA-N 423.583 1.987 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760695506 IMLWJRMEUVTBQE-OAGGEKHMSA-N 412.485 1.734 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760844041 OWMOQRBQEARFJQ-INIZCTEOSA-N 423.521 1.646 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1761545354 CBAAKVRGVZIPRF-GPMSIDNRSA-N 422.555 1.684 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1762980353 WZPNOKIMQJEBPE-MYDZZUQKSA-N 424.509 1.687 30 10 HDEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1765085058 GLJOZUIVOPZJJJ-QBPKDAKJSA-N 407.540 1.735 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770601940 JLAMSYKXOPPRSC-RJCBAWPRSA-N 423.477 1.482 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1772789979 IDPDMWCQXLGCJR-HNNXBMFYSA-N 408.366 1.565 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC(=O)N2C(C)(C)C)cn1 1772791101 YXBCAMGDKQUARZ-RDJZCZTQSA-N 410.430 1.863 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1849570133 HZKJFJVIKOQQPP-UHFFFAOYSA-N 402.454 1.655 30 10 HDEE CCNC(=O)N1CCN(CCOC(=O)c2nc(C)cc(C(F)(F)F)c2C#N)CC1 1851545535 CQXBXTOKFNOEQH-UHFFFAOYSA-N 413.400 1.784 30 10 HDEE C#CC[C@@H](NC(C)=O)C(=O)O[C@H]1CON(c2ncc(C(F)(F)F)cc2Cl)C1 1851809333 WRITXSLQAIOZSX-DGCLKSJQSA-N 405.760 1.945 30 10 HDEE Cc1nc(C(=O)O[C@@H]2CCCN(S(C)(=O)=O)C2)c(C#N)c(C)c1Br 1852139518 RIECOJLVBDTHSK-LLVKDONJSA-N 416.297 1.913 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cc2cncc(Cl)n2)cc1 1852211120 PKJDJDWOXROFLF-GOSISDBHSA-N 416.865 1.867 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)N(c1ncccc1C#N)C1CCC1 1853135429 YUDUOQRADMHAHD-UHFFFAOYSA-N 408.462 1.926 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCCC2)c2ccccn2)CC1 1853482999 LLGDTHJFXFBMFY-UHFFFAOYSA-N 406.508 1.800 30 10 HDEE COc1ccccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854024089 QFMTWAGCYINDOC-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE CCCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854322480 WHEVLANRXYNGCQ-KRWDZBQOSA-N 418.519 1.182 30 10 HDEE Cn1nccc1C(=O)N1CC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854868319 WMFLULFTEKACRV-SFHVURJKSA-N 408.462 1.219 30 10 HDEE CCc1nc2ccccc2n1CC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855002107 AXEKXPVTWCAFCX-KRWDZBQOSA-N 408.506 1.257 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1855163197 JZANWECRTVFMIN-QGZVFWFLSA-N 411.568 1.465 30 10 HDEE COc1ccc2sc(N3CC(C(=O)N4CCN(CCCC#N)CC4=O)C3)nc2c1 1855546202 OCJHBBGJMABBLI-UHFFFAOYSA-N 413.503 1.716 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCOC2)CC1 1855593120 LCYPWRAEVADIRO-HNNXBMFYSA-N 404.488 1.870 30 10 HDEE COc1ccc(OC)c(CN2CCN([C@H]3CCCCN(C(=O)CC#N)C3=O)CC2)c1 1855736456 IHZLFAUELZQBRB-IBGZPJMESA-N 414.506 1.643 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3ccnc4nccnc34)C(=O)C2)cc1 1856369530 YZRIWOHTPDLCKV-UHFFFAOYSA-N 402.414 1.260 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cnc3ccc(C)cn23)C1=O 1856755821 GJWKDWPTVRXZTD-SJORKVTESA-N 409.490 1.493 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(C)nn2C 1865227603 MXYULAZMCVRCCQ-SFHVURJKSA-N 412.490 1.829 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCN(CC)CC)ncnc21 1875229403 XREJJMBWPCVGAO-UHFFFAOYSA-N 418.542 1.188 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882624733 KAXRHIZZXKREQI-GUNSETOZSA-N 422.503 1.423 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@H]1C#CCN(C)C 1889871343 HKCNTKOFVTVYCV-MOPGFXCFSA-N 420.579 1.348 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1890805128 TZBXKHQSJDWNQK-LJQANCHMSA-N 421.538 1.782 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)CNC(=O)OCc2ccccc2)CC1 1891932640 XCKDYMJQXZIRLH-UHFFFAOYSA-N 409.446 1.892 30 10 HDEE N#CC12COC(C[S@@](=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)O)(C1)C2 2074700058 UOKUWPDMCTUPLE-GJAHOBDQSA-N 406.460 1.578 30 10 HDEE CO[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)N(C(=O)OC(C)(C)C)C1 2118172154 YLSWMEJQKMSMGK-RYUDHWBXSA-N 401.510 1.922 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2124718878 FHDRORORHIRCKY-ZDUSSCGKSA-N 423.267 1.995 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)[C@H](CS(=O)(=O)N1CCOCC1)NCC 2145729209 YSYJOJBIDOCWQW-HOTGVXAUSA-N 405.561 1.486 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@H](F)CNS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174776904 BOSBGLKLXCHSMD-DZGCQCFKSA-N 404.508 1.651 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N(CC#N)CCC(F)(F)F)CCS(=O)(=O)C1 2181106881 ARWAIQWJHFJRLB-AWEZNQCLSA-N 413.418 1.373 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@H](NS(=O)(=O)N1CC[C@H](C#N)C1)C2 2193308043 GPGPMCRUWRBDIP-QKGCVVFFSA-N 402.492 1.545 30 10 HDEE C=CC[C@@](C)(CO)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2201829656 JXWFGDTVWWCZFL-KBXCAEBGSA-N 404.529 1.102 30 10 HDEE C[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243384568 RWFFVRNOWMDKET-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2243675698 ZTSFRWKLRSOVRK-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243702230 MGGHCGLXSAHUAX-HUUCEWRRSA-N 408.304 1.810 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)CN(C)C(=O)OC(C)(C)C 2247826861 AQOXOIAKVDXCRU-CYBMUJFWSA-N 422.335 1.942 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827599 IJRTZLNAGOIEMY-OLZOCXBDSA-N 420.319 1.885 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267464758 RBVRMSLRACTDGV-DEOSSOPVSA-N 408.376 1.053 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267470150 GIXOZCZJTMFHLI-APXPCNQMSA-N 407.388 1.234 30 10 HDEE C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704143 IZXIPPLLYIZTAB-IQJOONFLSA-N 407.750 1.748 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](CO)[C@H](N)C3)c2Cl)OC1(C)C 2281937216 WYXRIGDOLWIELG-CMPLNLGQSA-N 400.737 1.482 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282028354 CWVIQFADGUPFQP-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 2282179417 MQAACZBHLBJULR-HNNXBMFYSA-N 404.316 1.940 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CC(N)C4)C3)cc2Cl)OC1(C)C 2282304573 MHLGVATWKMXTIM-UHFFFAOYSA-N 418.777 1.813 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](O)C1CC1 2282322409 LSCWZWKZLMZCGD-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H](CO)C1 2282323849 HUXIFEFIUNCLFA-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE CCN([C@H]1CCN(C)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333467 PBOIUMMKXLDWMQ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CCOCCOCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493456 WJCACGWEWSAGCX-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282494546 ZCAXQAYQWVHBGJ-STQMWFEESA-N 401.359 1.686 30 10 HDEE CN(C[C@H]1CC1(F)F)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282509736 OLKBRPZPOPUUGR-SNVBAGLBSA-N 408.301 1.859 30 10 HDEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CS(=O)(=O)C1(C)C 2282613620 CGDQUPJURZAXDD-LLVKDONJSA-N 400.331 1.090 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282660969 HEPCQINBBNWIGC-CQSZACIVSA-N 403.284 1.829 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H](F)C[C@@H](F)C2)OC1(C)C 2282836049 FCNOBBUQOYDBSN-GHMZBOCLSA-N 408.301 1.654 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1CN 2282855432 DPYXGHIORKVIQU-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(CC(=O)O)C3)cc2Cl)OC1(C)C 2284411547 LVCJUWMZDNQJNO-UHFFFAOYSA-N 421.733 1.796 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2296245003 CYRSXYRGGPDJFF-GXFFZTMASA-N 402.347 1.226 30 10 HDEE C#CCC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338850318 QXIJATHHZGMYNM-KRWDZBQOSA-N 420.487 1.629 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783302 GJSTUAFFKMBKNY-OWCLPIDISA-N 400.541 1.556 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 109934459 DSTTVCJNGANEKQ-GOSISDBHSA-N 419.466 1.808 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2cccc(F)c2)C1 230150245 SASKVOJWUAQTHE-UXHICEINSA-N 410.486 1.179 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)C1=O 410178985 PLJRJUSBAYVSPW-RYRKJORJSA-N 401.511 1.354 30 10 HDEE CCOc1cccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 434440976 FOBCZMACLYWIFV-OAHLLOKOSA-N 401.488 1.983 30 10 HDEE CN1CCN(C(=O)CC2CCN(Cc3nnc(-c4ccc(C#N)cc4)o3)CC2)CC1 440411290 YZTKKJSEVPEENQ-UHFFFAOYSA-N 408.506 1.984 30 10 HDEE Cn1ccnc(N2CCN(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)CC2)c1=O 442046078 FNJFNEGBTQHAAA-UHFFFAOYSA-N 422.367 1.905 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(Cc3ccccn3)nn2)cc1 463643607 MIGPVPFQTFNNRQ-SFHVURJKSA-N 419.470 1.747 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 484759062 XWFPDDQXVZUWFD-SFHLNBCPSA-N 416.522 1.241 30 10 HDEE CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)CC#N)CC1 503624582 KEJIBOSGUDMKOC-MRXNPFEDSA-N 422.938 1.776 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 519087912 BMLHOXLNEFEAHQ-UHFFFAOYSA-N 401.444 1.514 30 10 HDEE CCN1CCCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522049227 SJTRGSGNDGOGQM-GOSISDBHSA-N 419.551 1.449 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCOC2)c1=O 533120188 PAPBNVRINVAXRY-AWEZNQCLSA-N 412.515 1.035 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCCc3ccccc32)C(=O)O)c(F)c1 547878450 MAGVRUGDXWWCID-MRXNPFEDSA-N 403.435 1.882 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 549522541 UFVALKQWIKIFFR-AZUAARDMSA-N 420.579 1.984 30 10 HDEE CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCCn1cnc(C#N)n1 553958896 FZGBDEVWVCBXJE-APWZRJJASA-N 410.526 1.795 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2[C@H]1C 564381538 XMTXYVPPLIQEFB-PBHICJAKSA-N 403.508 1.878 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCC1 589228209 SBCBTRRSUXXPOB-ROUUACIJSA-N 402.520 1.199 30 10 HDEE Cn1cc([C@H](NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2(CO)CCC2)cn1 590600072 HZPOCEQVXQQJBZ-FQEVSTJZSA-N 419.489 1.909 30 10 HDEE C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1F 611501406 BKWMZDHPSXBCGL-WBVHZDCISA-N 408.499 1.071 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccncc2)cc1 674229907 KSEOMZVKVJKASV-OAHLLOKOSA-N 416.503 1.747 30 10 HDEE COC(=O)[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725403051 SEMZUCSAWTZUQJ-OALUTQOASA-N 400.328 1.807 30 10 HDEE C#CCN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@H]1CCS(=O)(=O)C1 729332647 SUORCZQNJMPDKH-HNNXBMFYSA-N 410.289 1.874 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CN2CCN(C)CC2)C1=O 730144148 XUZLZLOJIBUAHX-YOEHRIQHSA-N 421.542 1.529 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@@H]2CCCO2)cn1 730145252 YLWJVESFKVWRAM-JKSUJKDBSA-N 422.555 1.081 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCN1C1CC1 732707712 DGJFUJZGMGTKSK-IBGZPJMESA-N 409.490 1.496 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(CC)c2=O)cn1 735068486 DJVRQJOZOWMNMA-UHFFFAOYSA-N 407.499 1.678 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)CCCCOc1cccc(C#N)c1 735768478 MDDNSBASMUBQJA-QGZVFWFLSA-N 423.491 1.496 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)c1ccc(C#N)cc1 745109762 RZVGWJZYFJGEDY-PKOBYXMFSA-N 406.394 1.835 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(F)cc(N3CCOCC3)c2)cc1C#N 747494431 AREIFSFRZBPNOG-UHFFFAOYSA-N 412.421 1.797 30 10 HDEE C#CCN1CCN(C(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)CC1 749874601 OUTCRZKGWYTDFC-UHFFFAOYSA-N 415.490 1.798 30 10 HDEE C[C@@H](CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)NC(=O)OC(C)(C)C 749876993 XISKJKPGXGNNAD-AWEZNQCLSA-N 424.523 1.912 30 10 HDEE C#CCN(C(=O)Cc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 754273955 GUSHCXBSRISGAZ-AWEZNQCLSA-N 417.268 1.483 30 10 HDEE Cc1cn(CN2CCN(c3cccc(C#N)n3)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] 760549817 FIWLIEHNQLMKTL-UHFFFAOYSA-N 419.445 1.902 30 10 HDEE CC1(c2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc2)OCCO1 767675819 OFJCAAYUQZMAOA-UHFFFAOYSA-N 414.487 1.684 30 10 HDEE C#CCN(C(=O)NC[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 779671399 XOSGINVDTPDDLC-PZJWPPBQSA-N 403.548 1.873 30 10 HDEE C=CCOCCNC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 780030154 XTLHGDAPQPGNFX-AWEZNQCLSA-N 402.900 1.730 30 10 HDEE N#C[C@@H](C(=O)Cn1cc(Br)cn1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787062348 SPHSDKXLKHGVIT-ZDUSSCGKSA-N 406.196 1.579 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C[C@H]3CCCO3)CC2)n1 789021035 IQIWKIULOITFRH-HXUWFJFHSA-N 403.527 1.318 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1c[nH]c2ccc(F)cc12)c1cc[nH]n1 789977075 OWUKQAJHNFZIFD-UHFFFAOYSA-N 401.398 1.673 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 790219054 GHDCKMGNOTZBPP-HNNXBMFYSA-N 402.476 1.891 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnc(C(=O)OC(C)(C)C)cn1 802085540 DCHPQOBXJDUIJX-UHFFFAOYSA-N 402.432 1.731 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](c2cnn(C)c2)C1 849571740 HYJAWUGSHIWPNU-LAVFITLUSA-N 416.526 1.331 30 10 HDEE CN1CC[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849584953 ZPRPHKUKQFPWEL-HBMCJLEFSA-N 420.517 1.244 30 10 HDEE N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)nc1 916521026 YPGJXVHEHNIFKO-UHFFFAOYSA-N 414.416 1.811 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)N2CCCC2)C1 916869845 VJACZAXSVXLIIS-HUUCEWRRSA-N 408.480 1.023 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H]4CC[C@H]3[C@H](CO)C4)CC2)cc1 1117681234 DQXKYJYFZXXMOC-LNLFQRSKSA-N 403.504 1.331 30 10 HDEE CCOC(=O)c1c(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(C#N)cn1CC 1130010937 QENOFUNNBWYHIE-UHFFFAOYSA-N 415.450 1.750 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCS(=O)(=O)N1CCCC1 1134195563 ZWNSELDNZPZTRN-HNNXBMFYSA-N 416.544 1.505 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1ccc(OC)cc1 1136410558 DJLICUYHIHVVTA-KRWDZBQOSA-N 403.479 1.734 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccc(Cl)c(OC)c1)c1cc[nH]n1 1141352173 JBKDSSWEDOQOOO-UHFFFAOYSA-N 408.842 1.714 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 1161769905 YUYVUVPGABRCFR-SMDDNHRTSA-N 405.398 1.405 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)c1 1165433358 MAGJQIKHZBCVQX-JOCHJYFZSA-N 418.409 1.546 30 10 HDEE C#C[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1167413238 AQLWNKZQQVKCCY-HEDKFQSOSA-N 411.502 1.445 30 10 HDEE COc1ccc(NC(=O)c2nnc(CN3CCN(C(=O)CC#N)CC3)s2)cc1 1194458337 RGBHUJJXDBRBEC-UHFFFAOYSA-N 400.464 1.357 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)C(C)(C)C 1212037181 CGQLWMOTKIIJMA-SQNIBIBYSA-N 408.520 1.990 30 10 HDEE CS(=O)(=O)c1c(F)cccc1NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1219161714 BILXPUDVCDFKOY-UHFFFAOYSA-N 403.439 1.850 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(C(=O)c2ccsc2)CC1 1252373687 AQQYNQUEYKTFNT-ISLYRVAYSA-N 402.476 1.339 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)COCCO1 1286283281 QXGRRHGVOCESOI-MGPUTAFESA-N 408.466 1.184 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN(C(C)=O)C1 1286466289 FSQNOSSOMDXXDE-FQEVSTJZSA-N 410.522 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN2CCCO)CC1 1286478778 CJMZWQGGSSCDKE-PMACEKPBSA-N 416.570 1.122 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286705320 XMKFZGMJPOASIL-SJLPKXTDSA-N 402.543 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1286782898 HKMUAMSDWPRDAK-CALCHBBNSA-N 416.526 1.694 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC=C(COC)CC1 1286788878 JMCLBYYWNCCJJJ-UHFFFAOYSA-N 411.506 1.963 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(C(C)=O)C2)C1 1286799173 SQQGFKNNZKPEEL-ZWKOTPCHSA-N 418.542 1.456 30 10 HDEE C#CCN(C(=O)c1cc(-c2c(C)nn(CC=C)c2C)[nH]n1)[C@H]1CCS(=O)(=O)C1 1291927696 BOIAMPFLYCONFQ-HNNXBMFYSA-N 401.492 1.339 30 10 HDEE CN(C)[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1298043055 DPKXYYRZTZFXPJ-KKXDTOCCSA-N 407.519 1.108 30 10 HDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(O)C1=O 1298542977 HWRYCEUOVQNPKT-YCRPNKLZSA-N 419.478 1.858 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1299237199 SIUUFCVNUXZMSD-SFHVURJKSA-N 412.494 1.585 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301478677 NZYSSSNSWAAZTI-AWEZNQCLSA-N 403.487 1.788 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)C1 1301535426 LBTNUTRVJBGVCE-JXFKEZNVSA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCCOC2)C1 1301579563 VZNRDTKLKBIPAM-LJQANCHMSA-N 418.523 1.343 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCO1 1301773381 ABXFPHWCYMDPHM-RTBURBONSA-N 424.505 1.933 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@H]1OC 1302030741 UIYUKHQXJMVDGA-NNFUDEMPSA-N 411.478 1.496 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1302052328 MIIFRBVFEXZPJY-KUHUBIRLSA-N 402.503 1.801 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1302335253 RQGUIBOLPPCMBD-WNRNVDISSA-N 419.526 1.731 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCc4c(ccnc4O)C3)n2CCOCCCO)c1 1302986947 IUIVSESGCSADJR-UHFFFAOYSA-N 420.473 1.879 30 10 HDEE NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1304200529 KZGWEPWKNXOCHF-INIZCTEOSA-N 419.865 1.178 30 10 HDEE C=CCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1OC 1304460018 FQOPMRAIYHXFJM-RDYUPDBUSA-N 422.503 1.201 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1305114017 BORJDVYJLIDJJL-APWZRJJASA-N 424.505 1.679 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 1306821874 DVILWGZWSFVIQB-UHFFFAOYSA-N 414.487 1.078 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1311201885 LPYZRBUXECYKLA-UHFFFAOYSA-N 424.255 1.697 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c1 1314979438 HTCSBQXUJUFRFS-YOEHRIQHSA-N 409.494 1.570 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1325858114 PSDDNIXLWLDDNK-KGLIPLIRSA-N 420.543 1.385 30 10 HDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1355362300 ACBBKKLVVNOUMW-UHFFFAOYSA-N 412.533 1.800 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358881286 CAQRNZYTBMKXHT-DSGGYQJVSA-N 415.457 1.801 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1ccnc1C 1358946034 FMHAQXXWZFMFAA-UHFFFAOYSA-N 412.523 1.513 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCC1 1358982051 HVSUCRNCLZJXBY-UHFFFAOYSA-N 410.547 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)CN2CCOCC2)CC1 1359033608 IQEZSJROSHJUMN-LJQANCHMSA-N 409.538 1.064 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOC(C)C)CC1 1359034317 LPCMQSZCLBGUTP-UHFFFAOYSA-N 400.483 1.186 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1359035090 KQQJNYTYKGVWLE-UHFFFAOYSA-N 400.571 1.536 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359068917 UDKIEGVZIVHTQW-YLJYHZDGSA-N 414.535 1.756 30 10 HDEE C=CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359205016 IWHDBDZJXKNBCT-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1359258185 JDVZDSMGHYOMKQ-SFHVURJKSA-N 411.506 1.963 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1359262659 AKOBFRPEVVGZAU-OXQOHEQNSA-N 416.551 1.550 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359297360 NWUOGPAZQSLVNH-JTSKRJEESA-N 411.506 1.940 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2ccc([N+](=O)[O-])cc2)c1 1443516517 LXKIQQQQEAQQHM-UHFFFAOYSA-N 407.379 1.840 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 1448772242 HSGYJJHBUCZHCW-QGZVFWFLSA-N 413.478 1.332 30 10 HDEE C#C[C@@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(Cl)cc1F 1449309928 AHCPYAASSFHMHJ-CYBMUJFWSA-N 406.826 1.879 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H](CCO)CC3)CC2)cc1 1451673850 GLHHGNHREYMTTD-QGZVFWFLSA-N 419.547 1.970 30 10 HDEE C=CCc1cc(C(=O)NCc2cn(CCOC)c(=O)nc2O)cc(OC)c1OC 1455129476 XZQAEOHTPTYXPD-UHFFFAOYSA-N 403.435 1.271 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456061339 KSRSTDOMJIPSMH-QZTJIDSGSA-N 419.551 1.950 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1C 1458808981 HSDNKINNHFWJAO-DIFFPNOSSA-N 409.537 1.756 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460879021 GMHFWTOJBXLEDX-TWOQFEAHSA-N 402.520 1.484 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1SC 1461141266 NIPUBBOEYJWYCF-KONPQCLYSA-N 416.503 1.788 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1464404587 JELJBHZCASXQCY-NVXWUHKLSA-N 417.510 1.466 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1 1467886123 NBTRHCMNPORKSH-QBNCKDSPSA-N 418.494 1.907 30 10 HDEE CC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(C(=O)OC(C)(C)C)C1 1472371234 PHJAGWZLGSJJOV-FQEVSTJZSA-N 417.466 1.241 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2)cc1 1472371638 VUWJQBJNYXTFRZ-MRXNPFEDSA-N 421.457 1.065 30 10 HDEE COc1cccc(CC(=O)N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)c1 1473127820 CMDGAWATRTZZBZ-HXUWFJFHSA-N 409.486 1.693 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(O)nc1=O 1479615417 ORAYKECIMFDRCZ-INIZCTEOSA-N 411.466 1.583 30 10 HDEE CNC(=O)CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1503785146 UFFMEFQGYIZAHB-UHFFFAOYSA-N 413.482 1.282 30 10 HDEE CO[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1504519258 WNMQQFZJRBWZHL-VVHMEEEESA-N 414.510 1.618 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC2CCCCC2)CCO1 1505323408 YDEIPTWAUXOCAB-SJLPKXTDSA-N 416.526 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1CCCO 1507526242 LMEQRHFZQGUJEI-SJLPKXTDSA-N 411.506 1.979 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1Cc1nnnn1CC1CC1 1507619269 XUFKMAXATXVOJV-UHFFFAOYSA-N 406.494 1.934 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1507623835 XXIJCYRNLYWNPW-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)C)C1 1507702464 KVEPKYFJRDZLAR-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1507712616 KCUYYMVLVLUGEC-CYBMUJFWSA-N 417.539 1.513 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)COCC)CC1 1507731969 AGLGNECPEFGMMW-OALUTQOASA-N 419.570 1.820 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1507732706 RRLOUCAURFPZED-OAQYLSRUSA-N 401.511 1.687 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2cnnn2C)CC1 1507732960 VUZBFBABWHRVLH-UHFFFAOYSA-N 406.494 1.098 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1507807624 FBDFHRQWGPQKHL-OEMYIYORSA-N 417.510 1.640 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507952924 BZIIPZGAYUYWFF-DLBZAZTESA-N 423.583 1.840 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC(C)(C)C)CC1 1508071833 MUCCOGHWHUJNLY-UHFFFAOYSA-N 406.531 1.502 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1508415025 BISWMGDBAVWNSQ-SZNDQCEHSA-N 410.478 1.790 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1509057568 ADHBQVPHLSSNOD-HYLQGWQCSA-N 414.510 1.791 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC1(C)C 1509657920 QBSHYESSBZWNAQ-OAHLLOKOSA-N 409.494 1.997 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1512526515 CRHPAXBFOMRIJX-XLIONFOSSA-N 410.522 1.889 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1513032817 WQXAYARJAKRGJH-NVXWUHKLSA-N 408.510 1.663 30 10 HDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1514022605 LBBJMSHWXDZPJZ-MYDZZUQKSA-N 422.493 1.886 30 10 HDEE CN1CCn2nc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)cc2S1(=O)=O 1516860582 XYVWHHJESFUPGW-UHFFFAOYSA-N 412.393 1.318 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CCCOCC1 1521422740 DKRJEFWYLRNSCP-FMQUCBEESA-N 423.477 1.017 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2cccc(C#N)c2Br)C1=O 1532068928 ZDMGJNOUMWVWRW-GTNSWQLSSA-N 405.252 1.771 30 10 HDEE CC(C)(C)O[C@@H]1C[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1532240142 XTZZXTAAOOZRRH-HZPDHXFCSA-N 405.520 1.968 30 10 HDEE CN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCN(S(C)(=O)=O)C1 1534019614 GHCSVLMQWQQXSX-NSHDSACASA-N 416.297 1.192 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1535786690 WQOMVFDWUKSNNP-FDDCHVKYSA-N 418.453 1.617 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1539445810 GXZNWYGCVOPYIV-NUJGCVRESA-N 400.527 1.188 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](OC)C1 1539499695 OEYPVMXCLXFXOO-MRXNPFEDSA-N 420.560 1.940 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539791583 XVQDTWRMFGZLER-AWEZNQCLSA-N 400.870 1.153 30 10 HDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC(=O)NC)CC1 1539842960 TXDPBFWTKYHEOR-UHFFFAOYSA-N 417.539 1.531 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540004567 BCHKQCRYOXNJNJ-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@@H]1CC 1540039554 AXZPHLQYIHHXDK-SFHVURJKSA-N 423.521 1.824 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncn(C)n1 1540194065 HEINHNOVOMHRCX-UHFFFAOYSA-N 411.466 1.532 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)CC2)cc1 1540293941 HVSLASTXTXHLQQ-OAQYLSRUSA-N 422.485 1.490 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N(CC)CC)cc1)c1cc[nH]n1 1540588391 LXWWJKREWMPOGN-UHFFFAOYSA-N 415.450 1.814 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1540875720 WBJJOPPTUABVGD-OAHLLOKOSA-N 422.530 1.610 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CCO1 1541073865 FBUHXRQHICXLJS-QUCCMNQESA-N 424.505 1.585 30 10 HDEE CC(C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541341131 KXEBRLHZHMFRGY-XSAFGROZSA-N 414.510 1.791 30 10 HDEE CC(C)[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1541397154 AWRHTJSSADBAIR-CWFNNOHCSA-N 400.483 1.543 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@]2(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1542977907 ATJVVNQUYYKQFK-LVMLQMGMSA-N 404.467 1.276 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)cc1 1544877096 FKDIODATGIDZRD-QGZVFWFLSA-N 412.421 1.354 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(C)CCOCC1 1546527389 DHZBXQLGNFAXST-UHFFFAOYSA-N 412.542 1.897 30 10 HDEE CCCN1CC[C@H](Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1547176000 HQYRHHNEBGQCMZ-ROUUACIJSA-N 423.569 1.949 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1552423715 UMGRQYIOLUYNOB-AFJIDDCJSA-N 412.519 1.444 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1555989119 ZEJNLGHLDVRNMR-HOTGVXAUSA-N 416.432 1.943 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1556737420 DPEJWEQPLNQPIN-CABCVRRESA-N 403.545 1.728 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1558316142 GTSCNIGRGQPIIW-HNNXBMFYSA-N 414.911 1.023 30 10 HDEE N#Cc1cccc([C@H](O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1559975064 DTGQNFDVGHJEPI-HXUWFJFHSA-N 400.504 1.244 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1564772058 CQFVEYWPQWBSLN-ZACQAIPSSA-N 420.514 1.993 30 10 HDEE Cc1nc(CN2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)no1 1565587978 QQIIBWQZHCHYDZ-UHFFFAOYSA-N 404.268 1.899 30 10 HDEE CCOc1ccccc1OS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 1569561892 YMALBPZTGMHHHO-OAHLLOKOSA-N 420.443 1.573 30 10 HDEE C=CC1(CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1574519484 ZGMQFHQSWMVNCI-DFBDCSAJSA-N 403.523 1.794 30 10 HDEE C#CC[C@@H](COC)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1586385672 HKXVVYNTXNYHON-AVRDEDQJSA-N 419.481 1.654 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)CCCOc2ccc(C#N)cc2OC)C1 1586461035 FFXUSFYATUPKCL-HOTGVXAUSA-N 418.446 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCNS(C)(=O)=O 1587580974 UBNOPLBBJCCDAZ-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 1587809089 ZBCAZWUGWJDXDQ-KRWDZBQOSA-N 416.551 1.628 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1587860792 AYEATCNAKQWUGB-IAGOWNOFSA-N 421.567 1.287 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1587965756 RIJWWDMBCUVNQB-UHFFFAOYSA-N 404.474 1.925 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NCc1ccco1 1588015991 IAQBQVPYTDUDKS-UHFFFAOYSA-N 409.446 1.845 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1588400207 XZXHVGDJHNNCJF-IBGZPJMESA-N 423.477 1.424 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1NC(=O)CC1(C)C 1588673169 MJWYKTNFUOUTMW-MRXNPFEDSA-N 416.551 1.635 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCC[C@H]2C)CC1 1588732617 FAKMGQGEVRHDOT-IAGOWNOFSA-N 409.494 1.106 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@@H]2C)CC1 1588791513 XTOKMRXRLSUYGY-IBGZPJMESA-N 419.533 1.293 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1589404865 MUICCUYCRBZWJU-ZIAGYGMSSA-N 410.316 1.892 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCOC2)C1 1589442495 AJEPHOQAYHGECZ-QGZVFWFLSA-N 410.316 1.926 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@@H](C)CC)CC1 1594014764 VTLOQBDKRCEOHL-LSDHHAIUSA-N 412.560 1.350 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@@H]1C 1595302896 GIVQQOPWPSOKFH-FCEWJHQRSA-N 412.556 1.370 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1595884753 RWLALMARFVAQBZ-OAHLLOKOSA-N 406.556 1.695 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)nc21 1596978733 RTHITGPXIANDPV-CQSZACIVSA-N 406.450 1.371 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1608580033 VRFWCEJEQCGEHW-DLBZAZTESA-N 415.542 1.408 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NC1CCN(CC#N)CC1)N2C(=O)OC(C)(C)C 1610392272 HRPSBCRYUJNHBG-LUKYLMHMSA-N 420.510 1.278 30 10 HDEE CCOc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1611160986 ZUGMJVSAWUHFJT-GTNSWQLSSA-N 409.420 1.012 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1617609114 QQEQSSDPQUQWFY-QGZVFWFLSA-N 404.478 1.632 30 10 HDEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1617957162 HJYSCXMQYJVHNL-UHFFFAOYSA-N 414.491 1.938 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1618712795 MKKWVCALTLYMCE-UHFFFAOYSA-N 402.451 1.375 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CCO1 1620354956 FFINJEXOPQLDDE-MSOLQXFVSA-N 401.442 1.542 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1622417230 VKZDTJRNHZGKAW-CYBMUJFWSA-N 406.501 1.683 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C(=O)OC(C)(C)C 1623203542 QRIURZAPKYLTGE-UXHICEINSA-N 415.534 1.856 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)OC 1629617541 RVJYHXCCNWAZKN-LJQANCHMSA-N 418.515 1.257 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@@H]3CNC(N)=O)C2)C1 1632250237 QOOVLZPOVPWAEG-KXSVDRQTSA-N 419.526 1.823 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1632880762 ZDLUSBJLWIAWRS-GPTQKLSHSA-N 422.482 1.091 30 10 HDEE CN1CCC[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1636015945 HOOHUNWVBDNFLI-GOSISDBHSA-N 419.551 1.306 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](Cc2nccs2)C1 1637205141 GMXAZGFOEALUIR-ZFWWWQNUSA-N 404.517 1.773 30 10 HDEE C#C[C@H]1COCCN1C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1638055862 PTWGQMHYUFQGOK-ZDUSSCGKSA-N 406.508 1.980 30 10 HDEE C=CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)C(=O)OCC 1638618132 WOAFWWRSOSJDPP-KRWDZBQOSA-N 413.430 1.946 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2cccc3c2OC(F)(F)O3)c1 1638935552 NULZAFSQJFGOSP-UHFFFAOYSA-N 423.397 1.517 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1640334381 XVGABSDZYXBVEM-KRWDZBQOSA-N 408.520 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(CC(F)(F)CO)CC1 1640339381 PPAWLQWHWBQPCC-OAHLLOKOSA-N 418.485 1.735 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)c1 1640590611 JAPOVMQKOCVIEJ-UHFFFAOYSA-N 414.549 1.628 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CC(=C)C)nnc12 1641820607 WBCBVGJARRHJIG-CQSZACIVSA-N 413.503 1.766 30 10 HDEE CN1CCN(C(=O)CC2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)CC1 1644858625 NGWRFJUFTHAZNU-HXUWFJFHSA-N 400.523 1.174 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)NC[C@H]2c2ccccc2)s1 1645167952 OYOGEDARYWVFOP-INIZCTEOSA-N 419.528 1.455 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)nc1 1646082438 RBOSYFCYFFXUSR-UHFFFAOYSA-N 400.460 1.386 30 10 HDEE N#C[C@]12CN(C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1648155468 HXLZBENRJKKOAZ-NNMXDRDESA-N 423.494 1.554 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1CCN1CCC(C)CC1)c1cc[nH]n1 1648839127 LYCMDGMQNYMYFH-QGZVFWFLSA-N 419.526 1.807 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1649540847 NFLVQBUELRNXPZ-LAUBAEHRSA-N 402.543 1.849 30 10 HDEE COC(=O)c1cccn2cc(Cn3cc(C#N)c(I)n3)nc12 1652915799 AIOKCYIEBMIAOH-UHFFFAOYSA-N 407.171 1.842 30 10 HDEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)CCS(=O)(=O)N(C)C)c1 1653985608 UVYLSVQEKOFBLW-UHFFFAOYSA-N 412.558 1.957 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1654449259 IQFBLGMOGFGNCF-LSDHHAIUSA-N 419.403 1.629 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1655097836 SGFOXKHCXLLRGF-ZDUSSCGKSA-N 405.524 1.457 30 10 HDEE COC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@@H]1CCCO1 1655168667 FXMCCWQFTIDKPY-OLZOCXBDSA-N 407.261 1.932 30 10 HDEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1655337453 DQWRVVZDPZFPAO-PBHICJAKSA-N 424.954 1.733 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1655553169 SEXGYHJMVDVMDB-UHFFFAOYSA-N 410.521 1.224 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc3c(cc2OCC)C[C@@H](C)O3)CC1 1658847022 LJQPGVQNSOPOTP-CQSZACIVSA-N 422.507 1.026 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN[C@]1(CO)CCCN(Cc2ccccc2)C1 1660104599 ZXGCBGZOCBOOBO-RUZDIDTESA-N 417.509 1.903 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1661608720 LKKLUCUFQLKRMP-INIZCTEOSA-N 413.540 1.177 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1[C@@H]1CCCO1 1663265223 BZWPPPABFXBJOX-KGLIPLIRSA-N 401.282 1.889 30 10 HDEE C#Cc1ccc(NC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(Cl)c1 1664989597 JUJQWUSBDCFUER-XYEKJYRLSA-N 409.895 1.654 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC2(S(=O)(=O)CC)CC2)cc1 1667956423 NGNRIKYPWXPQLE-UHFFFAOYSA-N 415.537 1.582 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC3(CC2)COC(=O)N3)cc1Br 1668210195 DSIMOKQGHSFBPU-UHFFFAOYSA-N 418.244 1.723 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC[C@H]21 1671495272 PGQWSGOZROFBRP-RBGFHDKUSA-N 406.483 1.586 30 10 HDEE C=CCc1cc(CNC(=O)N2CCO[C@H](CNC(=O)NC)C2)cc(OC)c1OC 1677642175 VYPNRAGSRYNDPX-MRXNPFEDSA-N 406.483 1.272 30 10 HDEE CN(Cc1ccccc1)[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CC1 1680393039 VBZANQOIKYQNLE-IBGZPJMESA-N 422.489 1.297 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1681514750 BOASZKMKDRJKRQ-FUHIMQAGSA-N 413.522 1.804 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCOC1 1682635665 KDZMTJNFLLIPIA-ICSRJNTNSA-N 424.505 1.831 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)nn1 1683313383 KLXFYFXBHAYIOD-UHFFFAOYSA-N 414.466 1.149 30 10 HDEE CS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CCCCC1 1683901867 HDNSSXKNVMAPNO-UHFFFAOYSA-N 405.524 1.532 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)n1 1683936215 HGEWGTXVMWSVJY-QGZVFWFLSA-N 405.499 1.684 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)n1 1685177617 ZKYOUOGESBOBPL-UHFFFAOYSA-N 409.556 1.688 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)OC(C)(C)C)C2 1685845458 CLSWSMIQQIHFLL-ZNMIVQPWSA-N 401.529 1.674 30 10 HDEE C#CCN(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)C1CCN(C)CC1 1686399254 NZCUGCZAKBTCNA-KGLIPLIRSA-N 406.556 1.803 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1689873805 XKPPHSQUXQIYKT-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689900332 DVHVSJHKMAZMQS-UHFFFAOYSA-N 400.527 1.608 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C)C(C)(C)C1 1689968654 BBJQZMAGERMIMM-UHFFFAOYSA-N 420.565 1.612 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1690062280 JLTHXMXVNHPRCO-UHFFFAOYSA-N 414.329 1.550 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC2)CC1 1690146659 SZKWJAYRMZFAQL-WMZOPIPTSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1690169796 ONNYVQGZBMFPDX-UHFFFAOYSA-N 401.540 1.350 30 10 HDEE C=C(C)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OC(C)C)CCOC1 1690297825 HXRFSVOLAADUSK-HXUWFJFHSA-N 405.499 1.974 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1690514067 SLGMMKJZLQGZNC-QGZVFWFLSA-N 412.542 1.574 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(N)=O)c2)C1 1690684628 JPVNQBRKAMMWTF-QGZVFWFLSA-N 412.494 1.345 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690723260 MCKTYKOWIQNURX-JKSUJKDBSA-N 407.540 1.394 30 10 HDEE C=CCN(Cc1cccs1)C(=O)CN1CC(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1692214898 HHPKJYDCMDRIES-GJNTUIEKSA-N 401.532 1.487 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1696413538 DFSQTPWBKQATOB-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1696996035 MZVDUJKCERPFCP-UHFFFAOYSA-N 423.521 1.563 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(OC)CCOC1 1698245935 MMLHFWQHJUAZIZ-STEAMIEHSA-N 409.462 1.250 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705533533 YHXWUTOHSOEUDS-IAGOWNOFSA-N 421.567 1.479 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705553489 QSAZNBBQYBKOEK-UYAOXDASSA-N 421.549 1.509 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC(C)CC1 1705600493 ALUBKZOMZRFBDW-HXUWFJFHSA-N 410.566 1.984 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1705602617 BUMIRWWMTPMBAY-UHFFFAOYSA-N 420.514 1.170 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1705610744 BVOSRQLEOQJLAH-UHFFFAOYSA-N 417.477 1.333 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(OC)CCCC2)CC1 1705635041 PJALTYVREMTGNA-JOCHJYFZSA-N 417.554 1.645 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 1705644959 HRAAIQXKPOKTMD-HXUWFJFHSA-N 412.513 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCO[C@H]1C 1705666468 ABKSACWLDPOKQC-RVHYNSKXSA-N 403.527 1.729 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705734554 SPYNJECDUBPSEQ-MJGOQNOKSA-N 415.542 1.428 30 10 HDEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705812202 SUGKRFYYYTWSHH-RBUKOAKNSA-N 422.533 1.933 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705896655 TXULDUYXXWOLIM-GOSISDBHSA-N 421.505 1.424 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1706625481 NEISZANAGZYMHO-SECBINFHSA-N 407.219 1.133 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1722281676 JFHSVKZRADTFAU-CQSZACIVSA-N 423.477 1.573 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1722296611 SNLBODQWXYWVIP-JKSUJKDBSA-N 411.572 1.751 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1722362877 WVOAVDSOEDXSLG-QGZVFWFLSA-N 420.539 1.122 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722461413 FXIXSVGDRLNVQK-QGZVFWFLSA-N 413.547 1.933 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1722471545 IZCOUCQWTRAOQV-WZONZLPQSA-N 420.517 1.880 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722503385 CQWFZEDPZVTMJD-ZOBUZTSGSA-N 405.524 1.878 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1722630692 OUTOQBVFSCZSFN-QGZVFWFLSA-N 404.515 1.716 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1 1722675906 UMQLSQWIRMGDIG-UHFFFAOYSA-N 400.527 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CC#N 1722725512 PNGCKBHYCVGWNL-CQSZACIVSA-N 417.495 1.265 30 10 HDEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1722868166 AIGMOOJDCOQMQY-ZWKOTPCHSA-N 417.558 1.353 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)OC 1730476057 ATQYSXIFDWDUFN-DLBZAZTESA-N 421.885 1.901 30 10 HDEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1)OC 1730476437 IYHWADSKFOBJBF-ULQDDVLXSA-N 407.515 1.794 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)[C@@H](C)CCC 1740531381 KTMSLEBPDCEYRZ-JKSUJKDBSA-N 411.510 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@H]1CO 1740556904 GQPBDHMFBQPIFS-MSOLQXFVSA-N 402.543 1.095 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740566475 HMPRNZHIPYGEAS-YESZJQIVSA-N 409.556 1.555 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740589216 RPXWRVHRYXYLLV-QGZVFWFLSA-N 413.526 1.371 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1740629128 BMQIVPDPKVTGBF-UHFFFAOYSA-N 421.505 1.111 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740637223 UWYGMXDFIPZUIV-UHFFFAOYSA-N 407.478 1.675 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)OC(C)(C)C 1740678732 QROHMUWGUQBSQY-UHFFFAOYSA-N 408.503 1.027 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F 1740685662 JORRTKCIRAUJDP-CYBMUJFWSA-N 422.473 1.855 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CSCCS2)CC1 1740693690 IDXBWMGKMTYMLC-INIZCTEOSA-N 402.593 1.887 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2C)CC1 1740698449 GHDNRHYFVDJNPI-UHFFFAOYSA-N 424.524 1.846 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@H](O)C1 1740724893 JPNWOGKPSFBOHJ-CYJAXWMASA-N 409.556 1.432 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740846202 QJWGMWGMRHFCAE-OAHLLOKOSA-N 411.510 1.033 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cn[nH]c1 1740893743 UXDNSJFGJPYHNB-UHFFFAOYSA-N 415.523 1.783 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC1CCOCC1 1740961441 CBEJMZYPJWMDKL-UHFFFAOYSA-N 404.540 1.799 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)CC)C1 1740984240 YKKHRLSDUFJSOS-HPGBDJQBSA-N 406.556 1.690 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)CC1 1740990212 MKYBLHXKSPJNEP-UHFFFAOYSA-N 421.571 1.057 30 10 HDEE CC(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1741123207 PSVLNEHRAIXXQB-MRXNPFEDSA-N 407.478 1.692 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1748817340 JJEMFIGPTSQBIM-INIZCTEOSA-N 421.567 1.149 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1748824600 RMXVAIKUHUTTSW-HZPDHXFCSA-N 404.492 1.706 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1C[C@@H](C)O[C@H](C)C1 1748825833 GPCZBGDENFGGIL-OAGGEKHMSA-N 407.540 1.165 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cc(C)oc1C 1748900706 LDGSHCRZVHVMJX-HSZRJFAPSA-N 423.517 1.981 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC2)CC1 1748979029 TUYRRIGSWCBUBS-WIYYLYMNSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N(C)c2ccccc2)CC1 1748987305 SRSFKIJEEBSDRN-IBGZPJMESA-N 418.549 1.959 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCO[C@@H]1C 1749566293 YSKPNEZMPDBSOQ-IIBYNOLFSA-N 422.493 1.639 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCC(C)C)CC1 1749670010 NKMNCGNLWJQDJD-QGZVFWFLSA-N 418.542 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC(C)CC2)C1 1749694524 TXORMSUDRSCMDY-SFHVURJKSA-N 404.559 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC)C1 1749711938 DLPTVLNMGDXSEM-YJBOKZPZSA-N 413.478 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1749725073 NYMIYPIQKXUYNK-OAHLLOKOSA-N 423.505 1.898 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1751089273 DTWSUGHEMHDBPQ-MRXNPFEDSA-N 403.531 1.363 30 10 HDEE Cc1csc(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1751746000 PXSKWHAGWMARFG-CABCVRRESA-N 415.523 1.746 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1760202020 QJBLHWRATQVXCD-CQSZACIVSA-N 413.279 1.508 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCSC1 1760245297 YOJPZMKSJULQNP-FQEVSTJZSA-N 402.520 1.908 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1760455154 IZJIAFPKAFKWRN-FQEVSTJZSA-N 407.515 1.223 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760518760 GFYHXKUHGYKUKO-OAHLLOKOSA-N 413.482 1.189 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760526758 GROZLRNLTFFYTE-SFHVURJKSA-N 414.554 1.904 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1C(C)(C)C 1760528748 LHGOLKSWTJTPSH-UHFFFAOYSA-N 416.530 1.282 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1760550605 CTUKAZRHUQVLSR-OAHLLOKOSA-N 411.572 1.564 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1C1CCC1 1760556235 XFBZLSYUYIIAIL-JKSUJKDBSA-N 407.540 1.599 30 10 HDEE CC(C)COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1761150420 XDMRLLNVHOIWAC-KRWDZBQOSA-N 409.556 1.983 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1761359647 XVTOBFYTDXBLEI-AWEZNQCLSA-N 403.450 1.766 30 10 HDEE C[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1761570020 DWTHQCVWOSPFRS-XOBRGWDASA-N 419.432 1.681 30 10 HDEE CN(C)C1(Cn2c(-c3cnccn3)nnc2N(CCC#N)CC2CC2)CCOCC1 1766900610 DFLSAUXYCKZQRX-UHFFFAOYSA-N 410.526 1.976 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1767102821 ARFIRDXFBDYYOI-UYAOXDASSA-N 424.553 1.019 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)CCO1 1767707132 GKQBRRPDLZZUBE-XJKSGUPXSA-N 400.508 1.519 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1769044141 OZVRPNVAHYANEH-XOBRGWDASA-N 410.482 1.402 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1770326047 BIZCUTDGIIFJAW-SFHVURJKSA-N 406.487 1.997 30 10 HDEE COCCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1771042758 UKJKDOPSCCFCDT-QGZVFWFLSA-N 419.555 1.331 30 10 HDEE N#Cc1ccc(C(=O)O[C@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)cc1 1851386781 OQXIGHMNRHMOKB-NRFANRHFSA-N 423.469 1.523 30 10 HDEE N#Cc1ccc([C@@H](CC(=O)NCCn2ncnn2)N2Cc3ccccc3C2=O)cc1 1852142045 QPXCHFSMJBXEMQ-LJQANCHMSA-N 401.430 1.448 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1C#N 1852512734 OJYPWIHUTZUBPG-CQSZACIVSA-N 404.478 1.788 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCN(C(=O)CN3CCCC3=O)C2=O)CC1 1853800197 SQSDTWHDLLPFPR-IBGZPJMESA-N 408.502 1.684 30 10 HDEE Cc1ncc(CCC(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)s1 1854984680 GOGXHKPEQSQFAN-RDJZCZTQSA-N 403.552 1.822 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1855375232 JWJBBVKGKQHHSV-AEFFLSMTSA-N 414.506 1.861 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nc(-c2ccccn2)no1 1855931112 BZWVGXHYIKWIRM-AWEZNQCLSA-N 402.414 1.876 30 10 HDEE C=CCN1CCN(C(=O)c2cnc3sc(C)nn3c2=O)C(=O)C12CCCCC2 1856250153 SAWZHNHUHCXNDD-UHFFFAOYSA-N 401.492 1.633 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1Cc1cn2cccnc2n1 1856267657 YPJNYSZZCHTXAV-INIZCTEOSA-N 402.458 1.793 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2=O)CC1 1856320119 KHOADRCFLIMHFW-QGZVFWFLSA-N 424.892 1.955 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1=O 1856542284 HBGLYWUWPFNGKO-MRXNPFEDSA-N 411.911 1.867 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857056424 NANKFWWJBPFPDY-VQIMIIECSA-N 401.482 1.852 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1857485822 RTFPHNYTVDFLHC-ROUUACIJSA-N 423.510 1.614 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)C1=O 1857507618 ZWZOKMDHQVNFFT-ROUUACIJSA-N 403.504 1.670 30 10 HDEE COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1O 1862630183 OHCLBHBAVQVNHS-SFHVURJKSA-N 413.382 1.700 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)NCc1ccccc1OC 1872626504 DLVDHQKEUKAQRX-UHFFFAOYSA-N 400.435 1.517 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NCCOC)ncnc21 1875226499 HLUBSXJCMHDGNX-UHFFFAOYSA-N 422.493 1.428 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H](COc2cc(C#N)ccn2)C1 1891702943 RCOUNENRYAUCQA-IAGOWNOFSA-N 406.508 1.385 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc(Br)n1C 2010350856 KYAVDGYHDFXKAA-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2124418253 VACVBFZVTFJHLR-VIFPVBQESA-N 404.876 1.363 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)N=c1cnc(I)c[nH]1 2145529160 PWPQTYQRZYLCRG-UHFFFAOYSA-N 400.201 1.317 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NS(=O)(=O)c1ccc(C#N)s1 2174782426 QJLSAYPIIQGUNQ-ATGSNQNLSA-N 413.521 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CC[C@H](C#N)C2)CC(F)(F)C1 2174782798 UYRJRPRPJGYRKM-CYBMUJFWSA-N 408.471 1.655 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2181108407 SCQYLPZPQSPLAM-GOSISDBHSA-N 401.529 1.999 30 10 HDEE C[C@H](NC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2203126370 OGHRPHQWUZLORG-LLVKDONJSA-N 402.347 1.579 30 10 HDEE C=CCN(CC(=O)N(C)Cc1nn(C)nc1Br)C(=O)OC(C)(C)C 2214381428 RGZKLPADUPJZFE-UHFFFAOYSA-N 402.293 1.959 30 10 HDEE C[C@H](C#N)C1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2236699505 KCQBWTPSZWGDDK-UKRRQHHQSA-N 401.529 1.713 30 10 HDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2241490864 PLKUJIDIGBQFDK-MHZLTWQESA-N 400.306 1.770 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(Br)cc1C#N 2247173146 QTTYSDVPJWGVDW-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247919889 UIFYCUJXJSEABY-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267465998 SQDLKRURVKAHCX-QMMMGPOBSA-N 400.253 1.813 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@@]4(N)C3)cc2Cl)OC1(C)C 2267706859 GZOSLHYHKXVDQE-RFAUZJTJSA-N 404.750 1.422 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CC(F)(F)CO3)c2)OC1(C)C 2282340052 APZVNSLMVAKTMZ-LLVKDONJSA-N 409.285 1.750 30 10 HDEE CCN(CC(N)=O)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282496962 JWZDAQXKOXEFNJ-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE CN(Cc1cnsn1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499628 QWRJMDGXLKEHFW-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](CO)C2CC2)OC1(C)C 2282510742 DDLRCPFZUUMAEO-CQSZACIVSA-N 401.359 1.485 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CCN 2282848339 MLAATIXPVRSNHM-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccc(Cl)s1 2282860915 IDKDWGCMLGQJGB-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CCO)C(F)(F)F)OC1(C)C 2282866572 LVBICDXQDXSAFQ-LLVKDONJSA-N 415.264 1.639 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284395441 LEZOTVDURKAAEI-JTQLQIEISA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC(=O)O)C3CC3)c2)OC1(C)C 2284404113 WLEKVHWXQARQNO-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](F)C(=O)O 2284407791 PDKORAXGZQPKPZ-CABZTGNLSA-N 407.294 1.384 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](C(=O)O)C2CCC2)OC1(C)C 2284414563 IQPPYNSGZBXBHV-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2302853347 XIJDASJMFOADKJ-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365173219 OVXGCIPIWLGCJH-AUUYWEPGSA-N 401.525 1.780 30 10 HDEE CC(C)(C#C[C@H](NN)c1c(F)cccc1I)S(C)(=O)=O 2365182819 DENDJSBTDVHSHR-NSHDSACASA-N 410.252 1.761 30 10 HDEE COC[C@]1(C(=O)C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)CCO1 2365199379 NPOKYEJEQGPPJB-SFHVURJKSA-N 403.497 1.035 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@](C)(O)C#CC1(S(C)(=O)=O)CCC1 2367790181 VFLXHYLHFVCBRP-QAPCUYQASA-N 401.525 1.734 30 10 HDEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc1O 20833947 MIVGNUDDZPBCKX-OMCISZLKSA-N 420.480 1.856 30 10 HDEE COc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1OC 96353187 LRWFYIRICSOMRJ-UHFFFAOYSA-N 415.471 1.563 30 10 HDEE C=CCN1C(=O)/C(=C\c2c(NC[C@H](C)O)nc3ccccn3c2=O)SC1=S 102848293 MZLAWANMCHFUGO-GJSJWPQCSA-N 402.501 1.874 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105287700 ULXFADRPUUQXIS-UHFFFAOYSA-N 415.475 1.098 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3nnc(C(F)F)n3n2)CC1 301693608 LUBVSEDUMFGXLL-UHFFFAOYSA-N 419.417 1.444 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 430388488 POJFSTGUBACVFP-MAUKXSAKSA-N 403.479 1.406 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@@]2(CCO[C@H](C)C2)C1 435267072 LLWITEZETHEGAD-IHSNIMORSA-N 421.519 1.410 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 460556206 RYDJDDBSSMWMEK-LSDHHAIUSA-N 417.601 1.765 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(CCOC)C(=O)C1 460802021 ZYIFXCPXGBPDST-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 461744672 GBKBVYZBKSCEGB-AEFFLSMTSA-N 407.478 1.410 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 463344850 MURPZRORCFIAPF-UHFFFAOYSA-N 417.495 1.855 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCCC2 467572332 ZVFFUAHACMISCQ-AWEZNQCLSA-N 406.446 1.349 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)c4ccccc4C3)cc2C1=O 482250930 ATIXEDGNQNMYBD-UHFFFAOYSA-N 410.451 1.898 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)cc2C1=O 497475089 PMLQGVZNMZWRPT-OXJNMPFZSA-N 410.518 1.567 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 505674141 PWJHPGRJZHBJIW-OXJNMPFZSA-N 406.504 1.596 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(C(=O)Nc3ccccc3)c2)CC1 505923415 UIKLANCIDGCBPP-UHFFFAOYSA-N 406.486 1.999 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1 508675960 HYYLCGFSZZRQFA-NEWSRXKRSA-N 409.490 1.754 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(OC)c1 508798541 URNXQBCVROONMZ-KRWDZBQOSA-N 421.523 1.442 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC(F)F)c(OC)c2)CC1 522308371 KHFZIOUQZOSQMS-UHFFFAOYSA-N 412.437 1.426 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccnc(-n3cncn3)c2)cc1 523671476 NDQKCTBXEAQSDT-INIZCTEOSA-N 405.443 1.688 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(OCC(F)(F)F)c2)CC1 524495456 NVXBNRYHSPOMTE-UHFFFAOYSA-N 414.428 1.757 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)Nc3nccs3)cc21 526844634 KLZOJCGOFNRREU-NDEPHWFRSA-N 419.484 1.625 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc4c(c3)CN(CC(N)=O)CC4)CC2)o1 527022839 RUMBCZPLURTSSC-UHFFFAOYSA-N 422.489 1.553 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCN(C2CC2)C1 532982394 LHOVNHFQBHYFQV-KRWDZBQOSA-N 424.505 1.623 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(C#N)cn2C)c1 533685812 MFOJNEFXVOODKD-UHFFFAOYSA-N 417.491 1.236 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(Cc4nccn4C)C3=O)cc2C1=O 542156636 GWWULSAWFSNWAV-QGZVFWFLSA-N 421.457 1.123 30 10 HDEE Cc1noc(C)c1CO[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 545173886 UAYKGBIOUOQVEH-AZUAARDMSA-N 403.527 1.575 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)cc1Br 582463938 GXGJOXXUSBSYDV-ZANVPECISA-N 403.254 1.479 30 10 HDEE COc1ccc(CCS(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227260 WDMWFRFLECWWRX-UHFFFAOYSA-N 415.519 1.735 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 586860658 MPUSGFPPHVVENY-UHFFFAOYSA-N 411.393 1.571 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)cc2)nc1 609668648 VQCXUCVUTQDHQY-HXUWFJFHSA-N 421.501 1.882 30 10 HDEE C=CCc1ccc(OCC(=O)Nc2nc(C)n(C)c2C(=O)NCCO)c(OC)c1 647620375 JMOIBKSNWLDTBP-UHFFFAOYSA-N 402.451 1.205 30 10 HDEE COc1c(O)cccc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 727972049 QJIRJVPLYWYXFT-UHFFFAOYSA-N 404.492 1.783 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 732453485 DSLOMONBXKAKEL-JGWKNBOWSA-N 401.442 1.478 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2S1(=O)=O 732651175 YOUFLLXGYTTZDV-HNNXBMFYSA-N 402.476 1.052 30 10 HDEE C[C@@H](CC(=O)Nc1cc(-c2ccncc2)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 743326807 OFTLZEJUICDCFA-LBPRGKRZSA-N 410.459 1.928 30 10 HDEE Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746200734 CAYOWDJEGNFAON-MEUCICPISA-N 414.487 1.752 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 751273687 KHBVOYLMCMIDNV-SNVBAGLBSA-N 418.374 1.467 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 758070832 HIGUNWCLFPKZNQ-UHFFFAOYSA-N 406.463 1.186 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2cccnc2-n2ccnc2)C1 758348054 ZYHHJRRVURNXMK-JKSUJKDBSA-N 411.466 1.826 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccnn2-c2nc(C)cc(C)n2)cc1C#N 760260186 CCDYJCBFOHWKEY-UHFFFAOYSA-N 405.418 1.414 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(-c3scnc3C)n2)c1 761051599 IVDKLHJUYDSBSH-UHFFFAOYSA-N 418.456 1.770 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)c1 761189199 SSGNDPCKTMVOIU-UHFFFAOYSA-N 407.835 1.583 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cncs3)c2=O)cn1 767883524 KRFGQRKBXVGWBG-UHFFFAOYSA-N 411.512 1.444 30 10 HDEE CCN(CC)CC#C[C@@H](C)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 770807323 LWJPZJSFMCQESB-GOSISDBHSA-N 422.547 1.906 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC2(CC2)C1 782844575 AIIDKRHNTNEIRW-INIZCTEOSA-N 405.520 1.923 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(Br)cn(C)c2=O)n1 788628775 ZQLIODLBDBVMEC-UHFFFAOYSA-N 422.283 1.658 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccccc2N2CCCC2=O)n1 789325314 CAJNEEDQSUACKZ-UHFFFAOYSA-N 409.490 1.730 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(Cc2ccccc2)c1C 790734045 PWGKBNVIOKHENB-UHFFFAOYSA-N 424.457 1.365 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)ccn1 795967974 VEIPBZRPQIROLD-QGZVFWFLSA-N 415.402 1.593 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCCCCC1 800009426 MXCIWQUZJPQUGJ-OAHLLOKOSA-N 416.544 1.663 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812265027 ZTQZUPWOSVTAAI-IRXDYDNUSA-N 418.519 1.961 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2cnn(CCC#N)c2C)cc1 1127064794 QHTHXUQEYMCKLD-UHFFFAOYSA-N 418.475 1.123 30 10 HDEE N#C[C@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCOC1 1128872022 XJRCYYCQXVYFKP-JKIFEVAISA-N 403.401 1.381 30 10 HDEE CN(C)C(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1130767041 GQRRAVHEXBMIDO-OAHLLOKOSA-N 420.413 1.018 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC(C)C)cc2C(=O)OC)C1=O 1135136295 PQWODERRJGCLHL-UHFFFAOYSA-N 403.391 1.176 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1Cn1cccn1)c1cc[nH]n1 1136098822 LXQBAAJSXFSOEU-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE C=CCOC[C@@H](NC(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1)C(=O)OC 1139176533 ZKICHOYGMWVQGX-GOSISDBHSA-N 400.475 1.593 30 10 HDEE C#CC[C@]1(C(=O)NCC(=O)NCCN2CCCCC2)CCCN1C(=O)OC(C)(C)C 1140743757 YAHJHEGPPBMXFX-JOCHJYFZSA-N 420.554 1.498 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2)c1 1141877837 FAJSDVYNGFHEIG-UZYVYHOESA-N 408.524 1.550 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1142926328 UEDYPHMOUVYCBM-INIZCTEOSA-N 416.478 1.378 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cc(C(N)=O)no2)C1 1150566002 PJEBTONJXOHGMG-UHFFFAOYSA-N 404.224 1.160 30 10 HDEE COC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176432140 MSQQQBKXAGHIEX-LZWOXQAQSA-N 402.394 1.790 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCOC(F)(F)C(F)(F)F)cc1 1177046017 OFHMZLATVPRUHE-UHFFFAOYSA-N 400.325 1.500 30 10 HDEE C#CCN(CC(=O)NC1(c2ncc(OC)c(O)n2)CCCC1)C(=O)OC(C)(C)C 1179193522 HIFJSDGZIZRNSH-UHFFFAOYSA-N 404.467 1.947 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@@H]2CC[C@@H](C(F)(F)F)O2)n1 1189895724 CCVYMNWAEINHJU-GJZGRUSLSA-N 409.430 1.404 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 1208474297 QENIWOSOPPEDPU-CYBMUJFWSA-N 412.533 1.670 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CC1 1213773561 QBSJHSFYZAXUCQ-UHFFFAOYSA-N 411.436 1.643 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)cc21 1220204520 QNMABXUIWUGDEU-UHFFFAOYSA-N 424.461 1.047 30 10 HDEE N#CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(Cl)cc1 1277361328 XDAZHPKINOFKGX-CQSZACIVSA-N 408.867 1.362 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286349871 PYJKDSVMWPJCSI-IAGOWNOFSA-N 422.551 1.368 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(Cl)c1 1286362362 XBWATIOJYCFPEJ-LBPRGKRZSA-N 411.915 1.668 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286395490 RMYUDAYXZMAMBC-IRXDYDNUSA-N 422.551 1.452 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)Cc1ccccc1 1286407252 GQIOWOXJZHQMFI-ICSRJNTNSA-N 404.518 1.823 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1286454426 WYHGQTDQSDJRLS-CHWSQXEVSA-N 403.599 1.196 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CCO[C@H]1C1CC1 1286466584 ZSBMRBWLPYEABY-MDKPJZGXSA-N 401.511 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](F)COC)CC1 1286490825 TVSGSEZBHFEMEB-KRWDZBQOSA-N 414.485 1.599 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC=CO2)CC1 1286646633 UBXGDCBFVXKMJO-SJORKVTESA-N 423.539 1.460 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1286684361 INGZOKCMXFPJJN-INIZCTEOSA-N 421.571 1.801 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCN1CCOCC1 1286782785 GKCHYPRWJZMDKP-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1286809502 TXKXUOMBEAFEPL-QGZVFWFLSA-N 424.567 1.657 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286818385 HSJPYXVDFCIKOL-DLBZAZTESA-N 421.523 1.258 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1289394718 FVXBVBZPQOVEBB-CABCVRRESA-N 407.521 1.327 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2CCC(CO)CC2)c1 1291627576 LYZJQCFCBPLIHP-UZYVYHOESA-N 408.524 1.142 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1295161483 FXBOOSYPBYVFAX-LJQANCHMSA-N 401.492 1.355 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)C1 1296165794 BZMFTNRIMQYLHV-YHEJKZAPSA-N 412.490 1.710 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1300371924 KLCJSKIORLWRFK-UHFFFAOYSA-N 413.526 1.238 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1300410133 LLGLRDSUJHDUFD-CABCVRRESA-N 421.548 1.628 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1300532567 XRELXVIJKHCEBU-INIZCTEOSA-N 418.457 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1300675555 STVPSVRCSHDSGX-IBGZPJMESA-N 416.547 1.584 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2COC[C@]2(C)C1 1300842759 XCCRJBCGNYYFFD-IIMJZQEZSA-N 405.520 1.635 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300964138 PETBQYRHBWZSIP-CABCVRRESA-N 414.535 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H](C)C2)C1 1301566075 JVZFXPUYDBHMGF-RCCFBDPRSA-N 403.527 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@]1(OCC)CCOC1 1301596649 VAXRMMOUKWIOOA-QINHECLXSA-N 424.567 1.623 30 10 HDEE CS(=O)(=O)Cc1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)cc1 1302448058 FSIFZWOHFKMDNA-GOSISDBHSA-N 415.519 1.552 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)CC1 1303000564 IBZDCRNYWXVAIN-UHFFFAOYSA-N 415.523 1.039 30 10 HDEE CC[C@H](C)c1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1305505029 GTFNUMISZNEFTO-LTDXQCTPSA-N 402.499 1.933 30 10 HDEE C=C(C)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1306890674 YKULQFHCAUGVJS-ZDUSSCGKSA-N 417.466 1.005 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCCO[C@@H](C)c2ccccc2)c(=O)n1C1CC1 1307383557 FMVQGRAMUNQSNS-INIZCTEOSA-N 410.474 1.809 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 1307751973 WJDVXKGMQFUEQZ-UHFFFAOYSA-N 406.504 1.439 30 10 HDEE CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@@H]1CCN(S(C)(=O)=O)C1 1310640884 DFQGHVZTTZADLM-GFCCVEGCSA-N 406.386 1.954 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC([C@@H](F)C(N)=O)CC2)CC1 1312539569 UETWFQXXPUTFPQ-OFLPRAFFSA-N 403.458 1.888 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)CC1 1316538121 JFPIFNZWHXMQAR-IAGOWNOFSA-N 402.499 1.555 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3C[C@@H](O)c3ccco3)CC2=O)cc1 1333264123 MDKLSWSTCATDGP-NZSAHSFTSA-N 409.442 1.855 30 10 HDEE CN1CCn2nc(C(=O)Nc3cccc(C#Cc4ccccn4)c3)cc2S1(=O)=O 1355631828 MGNIOOHNQMCFSR-UHFFFAOYSA-N 407.455 1.564 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCCN(C)C(=O)c1ccncc1 1356276111 HGGMTTRVUMPTHL-INIZCTEOSA-N 407.478 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1358875691 UOMIBYMTZLDKSO-FCEWJHQRSA-N 410.540 1.355 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1358892806 HFUFBYLDZWHAFC-HNNXBMFYSA-N 407.478 1.489 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358909702 ONWDWTAQBPZEGF-UHFFFAOYSA-N 407.478 1.664 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358964140 UOMZRPITBXXWHW-DLBZAZTESA-N 422.551 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC 1358984598 BQDSUOCAFVSEBL-ZWKOTPCHSA-N 420.583 1.226 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1359026202 ODINDIPYTDEKPG-QFIPXVFZSA-N 421.505 1.081 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1359057446 ZLGJSWIKYOZAGE-QZTJIDSGSA-N 405.568 1.891 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359250523 MWFNPGMAFRXPQR-RDJZCZTQSA-N 409.556 1.956 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359291236 IXRDJPUJIDHTBD-XSLAGTTESA-N 421.542 1.556 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1359298720 JZKXPPNTLKPKJF-FQEVSTJZSA-N 422.424 1.338 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC2CC2)C1 1359299545 HUAOXZNDZLOHJX-MSOLQXFVSA-N 403.527 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359330108 HIYGVTMHJZBHPF-DOTOQJQBSA-N 405.524 1.802 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1360338619 HGPOCBHSLMUXFG-PMACEKPBSA-N 420.489 1.287 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)sc1C=O 1441013457 SVKGMFSMSSUCHG-UHFFFAOYSA-N 403.485 1.887 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)cc1B1OC(C)(C)C(C)(C)O1 1446967247 BXVPLFCQHOGCBJ-AEFFLSMTSA-N 416.327 1.660 30 10 HDEE C=CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 1453632259 SEGPTBFPFNYEPQ-HRAATJIYSA-N 408.543 1.788 30 10 HDEE C=CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1456981217 GIVVRCGHWONHPP-UHFFFAOYSA-N 407.536 1.689 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N 1459586571 BFEZPNYXQSJJCP-INIZCTEOSA-N 421.498 1.127 30 10 HDEE N#Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cnc1C(F)(F)F 1463434081 VSDPJVNPCQRDSN-UHFFFAOYSA-N 403.382 1.392 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)C#Cc2cccs2)CC1 1465053942 FOYWPZKARNPWOA-UHFFFAOYSA-N 403.529 1.352 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3[nH]nnc3C(=O)N3CCCC3)CC2)c(F)c1 1466799654 CTPTVOFBCOLKRE-UHFFFAOYSA-N 412.429 1.406 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(CC(=O)NCCC)cs2)c1 1471324136 LSWFOYXZBOTPLU-UHFFFAOYSA-N 422.532 1.928 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)COc3ccc(C#N)cc3)C2)nn1 1471520344 UDMBNFXNBVBKCK-UHFFFAOYSA-N 412.450 1.637 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(O)nc(C3CC3)n2)ccc1F 1471810404 SBDCLAXXIPZXMX-UHFFFAOYSA-N 406.439 1.593 30 10 HDEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@@H]1CCCO1 1476427865 KBJJUBATUJGVTH-CVEARBPZSA-N 401.448 1.580 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cc(C)cn1 1503109197 PDBSFZNFBDCAPE-UHFFFAOYSA-N 421.509 1.613 30 10 HDEE COC[C@H](F)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1504608540 LEBBCKAGIZRRBT-HUUCEWRRSA-N 416.505 1.937 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507636518 ADKVFBSDTYLLHT-BSDSXHPESA-N 422.551 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CCC(CC1)C2 1507660825 ZSWGMPFQJLTJCJ-ZRZPHAQCSA-N 403.552 1.932 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1507698394 UZBQWCOXJRJQMM-UHFFFAOYSA-N 411.506 1.619 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1507844143 CTZAVZSINWOJIL-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1508072517 QQDHOAWLZLMQPN-UHFFFAOYSA-N 407.478 1.324 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](OCC2CC2)C1 1508084091 HRKYTLJRRAVVHQ-IBGZPJMESA-N 410.522 1.962 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)CC2)cc1 1508100901 QVESFAGVVUXZOM-KRWDZBQOSA-N 410.478 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1508140284 MDWLMLRFACMIJP-KBPBESRZSA-N 410.569 1.610 30 10 HDEE Cc1cn2c(n1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)CCC2 1511426281 VXVFHSBPTPDNMS-MGPUTAFESA-N 414.489 1.941 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1O 1518281443 HKDRUXIYBCTWOE-DZGCQCFKSA-N 419.507 1.681 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](C#N)c2cccc(Br)c2)C1 1520608617 MGEGYGRROAROOZ-JSGCOSHPSA-N 400.298 1.802 30 10 HDEE Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2 1522359698 ARERIWBQFLJDGP-QFIPXVFZSA-N 407.474 1.729 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c2C)cc1 1523980203 MPAUQKWUSJUEMW-UHFFFAOYSA-N 406.450 1.497 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)n1 1525225995 TYGKSRRZVIULCE-HNNXBMFYSA-N 416.428 1.823 30 10 HDEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(CCC#N)c1C 1525672072 XUEYZXULLRHYAY-UHFFFAOYSA-N 406.464 1.786 30 10 HDEE C#C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1528082355 WZMPDGWEUIBNFA-MRXNPFEDSA-N 422.304 1.955 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC[S@](=O)CC(F)(F)F)CC2=O)cc1Cl 1528440978 PIGFYWYBXBQFLD-RNUGCUGFSA-N 421.828 1.992 30 10 HDEE Cn1ncc(C2CCC2)c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529260702 VLZPFYLVJIGERA-UHFFFAOYSA-N 401.492 1.810 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OCC 1533746890 RSASNILCTMWJMJ-HNNXBMFYSA-N 408.476 1.867 30 10 HDEE COC(=O)[C@@H]1CSCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535048194 BDBWRIRHARPCTI-WFASDCNBSA-N 407.879 1.682 30 10 HDEE N#CC[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(F)(F)F 1535465180 XNSFXGFYDCATMJ-CQSZACIVSA-N 414.409 1.808 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 1537838371 PHMXUJBIDRDCOW-KBPBESRZSA-N 423.466 1.933 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1OCCOC)[C@H]1CCS(=O)(=O)C1 1539205615 IZSKHLHHJWHVJR-SFHVURJKSA-N 418.519 1.287 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539219402 JRHRRHDSDLJAES-DOTOQJQBSA-N 420.510 1.670 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1539225598 PIUHMQMAGVYXTB-QGZVFWFLSA-N 411.487 1.532 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)CC1 1539438083 MXUOKCNTUQSAAP-UHFFFAOYSA-N 419.533 1.294 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1539446784 IPEJYMOEAFONIQ-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)[C@H](C)CCC)CC1 1539454158 YPYKEMMJGHJVQF-LJQANCHMSA-N 423.565 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[C@H]2CCOC2)CC1 1539480907 GGBUGLNJLHQQOO-PKOBYXMFSA-N 415.538 1.912 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540863062 OKNRRLYIQJXTCN-SJLPKXTDSA-N 410.522 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1540904540 NQGMQXCQUTZNQA-SFHVURJKSA-N 415.519 1.507 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1541104295 UHOVKXUDHYITTJ-QWHCGFSZSA-N 405.409 1.945 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)Nc1ccc(F)cc1 1541650515 DVZZZVITWTWTJG-UHFFFAOYSA-N 413.457 1.934 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1541803396 HMGTUTCUHKHUNJ-LSDHHAIUSA-N 420.514 1.850 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1555961657 AFNMHDOIALJNAC-KSFYIVLOSA-N 410.522 1.887 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1557106679 MKBXSZGPQJODHM-KRWDZBQOSA-N 420.429 1.780 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc3c(s2)COCC3)c1 1558588822 WAADWRRZAWBQIW-UHFFFAOYSA-N 407.517 1.653 30 10 HDEE C#CC[C@@H]1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1560136043 ITXJKVMDOMKXKY-RBUKOAKNSA-N 403.548 1.562 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1562032859 PEKXKSKCAQQWPS-UHFFFAOYSA-N 408.245 1.645 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nnnn3C)CC2)cc1 1562196941 ADHQAVLSKUOLDZ-UHFFFAOYSA-N 419.511 1.428 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)Cc1ccc(C(F)(F)F)cc1 1565017296 IDYUVFLYERKXAX-KDOFPFPSSA-N 412.412 1.670 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 1569003669 IFXQPDZQIPTQBF-XIKOKIGWSA-N 414.443 1.089 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1 1570833766 LAOBBROYXGRIDD-HNNXBMFYSA-N 423.498 1.521 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn2c(-c3cccnc3)ccnc12 1583778118 XPDKGHRZTUCSQY-UHFFFAOYSA-N 405.462 1.479 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(Cc2ccc(OC)cc2)C1 1585593609 KWACONUIWNVYMG-KRWDZBQOSA-N 400.475 1.847 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1585660325 JYHDXLSTRCZGQA-SUMWQHHRSA-N 424.404 1.901 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1587856870 TUMUZFUAWKNBGQ-KRWDZBQOSA-N 415.519 1.329 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCOC[C@H]1C 1588620046 MQKNTRPZQRXEQG-GOSISDBHSA-N 413.522 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2cn[nH]c2)CC1 1588913527 LRQJQZADWFJYBZ-UHFFFAOYSA-N 404.478 1.272 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CC=CCC1 1589151232 VLQDVJRRDMTRFF-QFBILLFUSA-N 406.556 1.142 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)CC1 1594097242 ORWCEAXDRXFPQF-HAWMADMCSA-N 412.581 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccs2)CC1 1595529903 LZTCNAUATTZFHJ-UHFFFAOYSA-N 410.507 1.425 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@H](CC#N)C(F)(F)F)c1 1596783605 ORRKGFOLQUBZFE-SNVBAGLBSA-N 414.203 1.932 30 10 HDEE C[C@@]1(CC(=O)Nc2ccc(C#N)cc2I)CCS(=O)(=O)N1 1598243438 NWBMALMMHLRCDC-ZDUSSCGKSA-N 419.244 1.573 30 10 HDEE CC(C)c1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1602767180 UGYRCQNLLPMPHA-ZZEZOPTASA-N 415.542 1.848 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)CC1 1611773596 USQTVKNISPQXDA-OAHLLOKOSA-N 402.499 1.542 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1612878309 SCZZCHBPIMZRSZ-QAPCUYQASA-N 410.478 1.289 30 10 HDEE C#CCN1CCCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1618035556 NKMPJABOPPBFOU-QGZVFWFLSA-N 416.526 1.631 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)cn1 1618400042 IMUKLMKVEOTHBJ-HNNXBMFYSA-N 416.486 1.322 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)Cc2c(C)nn(C)c2C)s1 1618639674 WHYDJAGZABGHPQ-GFCCVEGCSA-N 410.565 1.853 30 10 HDEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1619641827 AGYBFEWBPFCZHG-HXUWFJFHSA-N 420.489 1.399 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(C2CC2)C1 1619990400 SFZMVEFUAOBICZ-GQIGUUNPSA-N 406.506 1.928 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1623823075 MSUGTJVYKPKDID-AWEZNQCLSA-N 403.464 1.827 30 10 HDEE COC(=O)c1cccn(CC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1=O 1624669248 GNYTXHNDJRHVQI-UHFFFAOYSA-N 408.458 1.241 30 10 HDEE C#CCN(CC(=O)Nc1cccc(N2C(=O)CN(C)C2=O)c1)C(=O)OC(C)(C)C 1625955832 YPQQJZLAJAIXIF-UHFFFAOYSA-N 400.435 1.894 30 10 HDEE COC(OC)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 1626030110 UGIFAXWHPBCWOT-KDOFPFPSSA-N 417.487 1.701 30 10 HDEE CN(C)C(=O)/C=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1626104321 SHBYUSKCIBGEJS-JNGSDRLQSA-N 406.508 1.863 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(-c2cnc[nH]2)cc1 1627549810 XMKMXMJYVBVQGX-AWEZNQCLSA-N 409.471 1.932 30 10 HDEE C[C@H](C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1628895394 VCBAWVJQMBVDDN-RSPOEFSDSA-N 408.502 1.959 30 10 HDEE COc1ccc(C(=O)CCC(=O)N2CCN(C(=O)CC#N)CC2)c(OC)c1OC 1630034263 LGLYAIRPCCNWRH-UHFFFAOYSA-N 403.435 1.260 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1633679424 LWFILVCIZFXVAE-PSLIRLAXSA-N 415.443 1.242 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)C(=O)OC 1634058473 DZALKIWWCFDOOQ-CQSZACIVSA-N 407.448 1.700 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC 1634251343 NDSDSJCVZQMHBL-GJZGRUSLSA-N 414.462 1.623 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c3ccncc3)cc2C1=O 1634770098 GLLILDVMBFTRAU-QZTJIDSGSA-N 423.425 1.259 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1635882212 PBEMQHPOPHGRAK-HDICACEKSA-N 412.465 1.911 30 10 HDEE COCC#CC(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1636900044 CMUUCAXQPXMSAE-UHFFFAOYSA-N 421.338 1.383 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O)CC2)c1C#N 1638053090 AGBIOAREMIUTJY-OCCSQVGLSA-N 409.512 1.246 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)C2(CO)CCCCC2)C1=O 1640138443 OYQLLSRNDAZHOG-GOSISDBHSA-N 413.474 1.764 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1640285707 ZVCBCHDVEQBJJM-CRAIPNDOSA-N 413.430 1.909 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CO)Cc3cccc(F)c32)c1 1640536841 NWHJZMFXIFUMGX-CQSZACIVSA-N 402.447 1.549 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1641767482 UHGPJDBQMDTPMM-ZWKOTPCHSA-N 401.463 1.092 30 10 HDEE C#CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1642410904 QNTQRDNEDVBCJT-CYBMUJFWSA-N 402.266 1.045 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2)c1 1643093121 VZSRSFHKOLHLDZ-FQEVSTJZSA-N 411.527 1.911 30 10 HDEE C[C@H](Cc1cn(C)nn1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1644792942 PRSKJOVLNOSEJS-CQSZACIVSA-N 418.523 1.161 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)C1 1645270294 GROMTTOEHZVTIU-HNNXBMFYSA-N 409.939 1.952 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)[nH]n1 1648524189 MZVBYXJLRSMFHA-UHFFFAOYSA-N 407.434 1.286 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCO1 1652916922 SOMFGJKGETUDSY-CQSZACIVSA-N 407.370 1.005 30 10 HDEE COC(=O)C[C@@H](C)N(OC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1653941168 XRCADYRMXVWDLY-CQSZACIVSA-N 423.491 1.301 30 10 HDEE C=C(CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1663708606 MOIZDLLYTQLWOV-UHFFFAOYSA-N 414.483 1.932 30 10 HDEE CCOC(=O)COc1cccc(NC(=O)N(CCC#N)CCN2CCOCC2)c1 1665295471 BXHXOFLOLGCAKZ-UHFFFAOYSA-N 404.467 1.708 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1672737301 JYEDNGVQYJOJJL-HXUWFJFHSA-N 414.550 1.431 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1673499479 QWAURVFLCHBBIE-LLVKDONJSA-N 401.282 1.675 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1682849371 NGIGFHINTJPJRF-MSOLQXFVSA-N 405.520 1.101 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)nn1 1686847935 LKVKRXDNYHSYNK-GOSISDBHSA-N 404.902 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1689835145 GWDLEQOFKWOVCQ-FOIQADDNSA-N 418.519 1.612 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689979899 IWSCHNIPXJOVMW-PVPMGCCUSA-N 414.597 1.575 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCN(CC)C2)CC1 1690111541 DNTAGLQRJLVMCH-MOPGFXCFSA-N 404.559 1.099 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCCCC2)CC1 1690144350 VYYIHAFUOBQPAG-GOSISDBHSA-N 412.538 1.775 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1690203193 TVGIWROFUDCUIH-HRAATJIYSA-N 410.453 1.999 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690245238 GBMKDDYNXHPRPI-FHWLQOOXSA-N 403.527 1.868 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1690675181 RCQBGNILDVQLEU-SFHVURJKSA-N 410.522 1.470 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1690700911 ZLHZAXIEPZTHEP-ZWKOTPCHSA-N 424.567 1.778 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1690733954 RNRZQJWTNHNCPD-AWEZNQCLSA-N 408.572 1.783 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1690733974 SADCOWOTYLTKOZ-QLFBSQMISA-N 417.601 1.811 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1696061872 YHSAOIBXBPPFDZ-GUDVDZBRSA-N 409.462 1.178 30 10 HDEE COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1698032666 CLRFLODRCKLZGD-BBTUJRGHSA-N 420.558 1.710 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCOCC1 1698238511 DJWBNTSYQSTZBM-WDSOQIARSA-N 418.542 1.463 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1705522858 NUWVFBHEDDNEBM-UHFFFAOYSA-N 404.559 1.624 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1705573323 DUYZJVRWSALPDE-ZDUSSCGKSA-N 407.446 1.288 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1705575038 WKJYLAMMLFJSIN-OAQYLSRUSA-N 417.510 1.528 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC)C2CC2)CC1 1705647404 DDJJPEBTXGCWOO-OALUTQOASA-N 415.538 1.563 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705816716 PWHQBJLFWZTHOS-MRXNPFEDSA-N 417.539 1.706 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705886974 IZHHOZBEPHEEAL-XHSDSOJGSA-N 417.514 1.692 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)c1cc(OC)cc(OC)c1 1705894669 HAOSUDCWHDTRCP-UHFFFAOYSA-N 416.482 1.504 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(CCOC)c2)C1 1705925871 VLLIAMRUSVIQMI-ROUUACIJSA-N 402.499 1.455 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1709458562 OCGRABWAKCOGDU-INIZCTEOSA-N 410.526 1.732 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CC1 1711410432 OBVBUTKHUFRSMT-CRAIPNDOSA-N 409.494 1.703 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CC(=O)NCC(F)F)cc1 1712881494 WEKDKDSIJYRWJI-UHFFFAOYSA-N 402.405 1.876 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCOC2)c1 1722309935 RDLYUVJTCSQYDI-QGZVFWFLSA-N 417.473 1.828 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCc1ccccc1 1722343935 FTYJQIHLYJUBEP-OAHLLOKOSA-N 407.565 1.891 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCOCCS(C)(=O)=O 1722377933 LYJRHHSKBSEVSQ-UHFFFAOYSA-N 404.467 1.218 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1722694799 JDIHILFBLJAYJK-LJQANCHMSA-N 424.549 1.796 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722711104 AFNVGKAVNBCUOJ-JKSUJKDBSA-N 405.524 1.500 30 10 HDEE CC(C)(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1723000170 HXKMAZAWDVULOT-UHFFFAOYSA-N 420.525 1.814 30 10 HDEE C[C@H]1CC[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1726494193 AGYMTJODARBREF-GJZGRUSLSA-N 402.524 1.991 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740625596 RJLIWLXUHRERLN-DOTOQJQBSA-N 422.576 1.840 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740626425 KQWIDWKFDKUMRH-MOPGFXCFSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1CCN(C(=O)OC)CC1 1740652505 BSHDULCIGPIUND-UHFFFAOYSA-N 409.494 1.620 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCCCS(C)(=O)=O)CC1 1740702739 WTLFZOFPWIDGGS-UHFFFAOYSA-N 423.583 1.582 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(CC)(CC)OC)CC1 1740706551 ZSXGKTAFQIBUTA-GOSISDBHSA-N 417.554 1.953 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1740715056 BZFZUDPJTCHPDH-QGZVFWFLSA-N 415.567 1.930 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740825308 LRXUTLUXPHTKFF-ROUUACIJSA-N 421.567 1.595 30 10 HDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O)C1CC1 1740913036 BUCCENFEXLFMAV-UHFFFAOYSA-N 401.492 1.928 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(O)c1 1740940428 FTFBRUAOXIGMJC-HNNXBMFYSA-N 401.467 1.631 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1741001093 KWVQXVUSZPHJGM-GJZGRUSLSA-N 404.540 1.350 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1741686973 CHKRUJCJSHTUMX-OAHLLOKOSA-N 409.494 1.398 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1747688057 IKOCLHCNQLNRRC-SQFISAMPSA-N 409.372 1.798 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2cccn(CC)c2=O)c1 1748691673 JFPFDKDJXGFTFD-UHFFFAOYSA-N 404.474 1.873 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1748708047 SPXNEDNKTWDNHD-FQEVSTJZSA-N 421.549 1.886 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2c(C)noc2C)CC1 1748971398 NWQFJEIMFMXJFZ-OAHLLOKOSA-N 413.526 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccc(C)n2)CC1 1748979180 VZFPKWQHWBZRMC-QHCPKHFHSA-N 424.549 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCOCCN(C)C)CC1 1748984486 SPFCKIAFXXWXHG-UHFFFAOYSA-N 400.502 1.418 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1CCS(C)(=O)=O 1749075171 AZKRSCANZNRDKP-CQSZACIVSA-N 407.496 1.506 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@H]1C 1749080868 WGVCSEZTJKPOTP-XPKAMFKHSA-N 404.511 1.534 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749115133 MEAMWDZZZHTLKQ-JZXOWHBKSA-N 416.526 1.209 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749458127 YSFQHDIXOIMNFG-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1749461135 NYIKKTRQSSKINY-FIKGOQFSSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H]1c1nncn1C 1749671774 IPCUTHHNQNEXBZ-SFHVURJKSA-N 420.521 1.950 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1750379732 GYBQHHXJWWTFOX-YWZLYKJASA-N 417.489 1.510 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2CCCCCO)cc1 1750384796 PGOWOFWTWSMDKX-UHFFFAOYSA-N 424.505 1.702 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1751094689 MYCIFNPEOPRXLD-NNFUDEMPSA-N 423.539 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1760115789 BOHHIWSGXJNYLH-NVXWUHKLSA-N 401.536 1.752 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760136976 MRIHBIPPEXJUDC-SJORKVTESA-N 400.527 1.775 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1760194687 OFYPFRNCSRAXSF-OAHLLOKOSA-N 403.483 1.343 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1760217144 QPBRNIYGQUNCHO-GOSISDBHSA-N 415.505 1.601 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS2)CC1 1760269051 WMZKKWTZPAMAHX-CVEARBPZSA-N 416.551 1.091 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)CC)CC1 1760384037 HXTUJULSNBDYMK-UHFFFAOYSA-N 417.535 1.983 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760412042 HCOVMGYAGGEICK-INIZCTEOSA-N 411.572 1.856 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1760696426 QTLLNNQJNLWHCP-GDBMZVCRSA-N 422.555 1.082 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1760817101 FSACDNSGVRXMKE-QGZVFWFLSA-N 423.521 1.588 30 10 HDEE CNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1769323188 BZOJBZFCGSYBHH-CYBMUJFWSA-N 404.858 1.472 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 1850124656 DNJUAPYCWKQUAF-QGZVFWFLSA-N 409.577 1.754 30 10 HDEE N#CCOc1ccccc1C(=O)O[C@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1850544606 IVRYRZWJHFIVAG-HKUYNNGSSA-N 419.437 1.758 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1)[C@@H]1CCN(C)C1=O 1850863172 QDCALHJZRASHDS-CZUORRHYSA-N 405.882 1.947 30 10 HDEE C[C@H](C#Cc1ncc(C(F)(F)F)cc1Cl)OC(=O)C1CN(S(C)(=O)=O)C1 1851403436 XBDRMNRQWVJFOS-SECBINFHSA-N 410.801 1.928 30 10 HDEE C#CCNC(=O)C[C@@H]1COc2ccccc2N1S(=O)(=O)c1ccc(OC)cc1 1852456757 VDWLCIVUNBSRCX-OAHLLOKOSA-N 400.456 1.791 30 10 HDEE N#Cc1cn[nH]c1C(=O)N1CCCc2nc(Br)cc(N3CCOCC3)c21 1852819777 KBGZDQYWXHDDQF-UHFFFAOYSA-N 417.267 1.868 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3C[C@@H](CN4CCC(C#N)CC4)CCC3=O)c2c1 1853789742 NFXVAVQQQFZPPL-QGZVFWFLSA-N 410.474 1.904 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](N(C)CCC#N)C2=O)cc1 1854306135 NOLAETJEQMJTOZ-KRWDZBQOSA-N 407.492 1.222 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C)c(C)c3)[C@@H](C)C2=O)CC1=O 1854334015 CZGCNWAJXQVXEQ-HKUYNNGSSA-N 411.502 1.580 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)C[C@@H]3CCCO3)C2=O)CC1 1854862992 AGKJGHMKWJARFR-OALUTQOASA-N 412.490 1.741 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN([C@H]3CCCN(C(=O)CC#N)C3=O)C2)cn1 1854996301 OGJXKNVDFGUPCD-OALUTQOASA-N 400.527 1.476 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)C1 1855374775 XEQJNPQBKAQGEQ-UHFFFAOYSA-N 409.483 1.083 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCCN(C(=O)Cn3cnnn3)C2=O)CC1 1855706616 LRQOIZSYKWXSNZ-GOSISDBHSA-N 407.478 1.138 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855739635 AMUPDBXVHBKAHA-RYUDHWBXSA-N 407.364 1.056 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3csc(C4CC4)n3)[C@@H](C)C2=O)CC1=O 1855802675 FMAPIRLOBSQORF-ZFWWWQNUSA-N 402.520 1.614 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)Cc3cccs3)C2=O)CC1 1855961172 HEDXBQPQBOLSAQ-GOSISDBHSA-N 409.515 1.897 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1856041889 WIPHZWQVDGCCFS-PKOBYXMFSA-N 423.579 1.772 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cn(C)nc1OC 1856099128 UPTZHDBNKFHDCU-UHFFFAOYSA-N 418.475 1.355 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)CC1 1856155881 VPRKNQZDRTYDJT-OALUTQOASA-N 412.490 1.864 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccccn4)nn3C)C(=O)C2)C1 1856843128 BQLLVBTVTVNIHG-KRWDZBQOSA-N 408.506 1.417 30 10 HDEE CC(C)c1cc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1857065843 BGXJOCVEJCMCHT-QGZVFWFLSA-N 408.462 1.628 30 10 HDEE CC[C@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccccc1C#N 1867236080 AFJWLOPVPGBKTA-INIZCTEOSA-N 400.460 1.661 30 10 HDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870630348 PDAZMNLJGLYHTJ-UHFFFAOYSA-N 419.522 1.620 30 10 HDEE C=CCN1C[C@@H](C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)OC)CC1=O 1873025677 AFAWUNBHZLKCJS-HOTGVXAUSA-N 402.447 1.165 30 10 HDEE CCOc1c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cccc1OC 1874444772 KPYXPEYBWAXFIV-DGURAOSJSA-N 405.480 1.997 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875229141 QJSIKJMXWJDLFS-HNNXBMFYSA-N 422.493 1.162 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1965775402 HJOJANRGEQFSJC-GOSISDBHSA-N 401.529 1.968 30 10 HDEE N#CC1CCN(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)CC1 2142142287 DCVHGUNGFGVJHX-QPIRBTGLSA-N 418.519 1.904 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162918733 SSGRFVODHDOXIH-RYZVSIALSA-N 414.509 1.594 30 10 HDEE COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC(C#N)CC1 2174779411 IWQKTQQHDKZVEA-UHFFFAOYSA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NS(=O)(=O)c1ccc(C#N)s1 2174782428 QJLSAYPIIQGUNQ-PMOUVXMZSA-N 413.521 1.969 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)N[C@@H](C)S(C)(=O)=O 2203124832 ANLHLDCEXABWNM-LLVKDONJSA-N 402.347 1.546 30 10 HDEE CN([C@@H]1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1)S(C)(=O)=O 2235415534 YRBDNVNNUJXSIP-CYBMUJFWSA-N 400.375 1.513 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243403174 SSVRPVUUIVCZOJ-UHFFFAOYSA-N 406.292 1.448 30 10 HDEE CN(C[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)C#CCNC(=O)OC(C)(C)C 2244388014 TVFAAJYMFAHEDH-HSZRJFAPSA-N 415.534 2.000 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825447 DTZFHKJZKWTBCX-UHFFFAOYSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2247932002 PKJPKROOARHRNX-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270532635 VJGLQLMMUHDWCV-SFHVURJKSA-N 416.455 1.814 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CC[C@@H]3N)cc2Cl)OC1(C)C 2271976470 XMMNGUDTOSOREN-ONGXEEELSA-N 406.766 1.716 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CNCCCO3)c2Cl)OC1(C)C 2282057426 GVQYYFFGFAFUMF-NSHDSACASA-N 400.737 1.809 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)CN(C)C 2282310588 WJHICUGNTQIZGD-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)N[C@@H](C)C1 2282317524 SJIIUSPSYKGRPN-RYUDHWBXSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](O)CC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282326381 RPLLRUSGFXRSQM-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC(F)(F)CO3)s2)OC1(C)C 2282334049 WPWDANHWZVHMFD-JTQLQIEISA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCO[C@@H]3CC3(F)F)c2)OC1(C)C 2282336417 CTTXGCAPNLVZEG-LLVKDONJSA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](F)[C@H]2CCOC2)OC1(C)C 2282336545 FVQUBQBCWCRBDV-AAEUAGOBSA-N 405.322 1.700 30 10 HDEE CC[C@@H]1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282336804 HETYXPCSRCGRSR-OLZOCXBDSA-N 400.375 1.856 30 10 HDEE CN1CCC[C@@]1(C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493785 YALUKHCAAWUEPF-KRWDZBQOSA-N 400.375 1.810 30 10 HDEE C[C@H]1CCS[C@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830338 SDDCCGNOHZMIEL-AAEUAGOBSA-N 401.363 1.139 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2CC(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841553 WKZJCSMJZFQZRQ-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@H](CCN)C3)c2)OC1(C)C 2282848088 IUYKLOJYYIDMSG-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE C[C@H]1[C@@H](O)C[C@@H](C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866594 MDISXGKVKCGQHF-DYEKYZERSA-N 401.359 1.827 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282869330 AWEMCZKSRMZXAD-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE C[C@@H]1CN(C)CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877113 MXRSJPSROFOGNP-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE CCCSC[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284380247 BJMQJEBWMKJEJY-LLVKDONJSA-N 400.331 1.769 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284414689 SRKXBXKEFUZFDQ-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE C#CCCN(CC(=O)O)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338853446 XRWMHMATIMEHMD-UHFFFAOYSA-N 420.487 1.583 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)[C@@H](C)C1=O 2351188802 QZWGRAVZIRJINP-HZUJVAHNSA-N 401.463 1.617 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797173 UEIFXBJLWFNDGR-SCLBCKFNSA-N 401.481 1.436 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CF)CNC(=O)OC(C)(C)C 2367809262 LPPYXKFKMGPCQT-KBXCAEBGSA-N 406.520 1.161 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 29153211 HRBRIXKLKLYWMV-UHFFFAOYSA-N 417.941 1.815 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 56073873 PKPJAUKOMGXKHQ-UHFFFAOYSA-N 413.908 1.940 30 10 HDEE C=C(C)COc1ccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCC)cc1 66062077 HDQJCSICXNGWOM-SFHVURJKSA-N 403.479 1.724 30 10 HDEE Nc1nonc1C(=NO)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 252636123 XERGBXJUBPXJCD-UHFFFAOYSA-N 401.305 1.537 30 10 HDEE N#CC1CCC(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 442982832 MOYBANFDQWVEKJ-NRXISQOPSA-N 404.492 1.133 30 10 HDEE COCCCN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCS(=O)(=O)C1 462086513 FUNCWUFEIQDHFY-MRXNPFEDSA-N 418.479 1.196 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474354324 JPVFVYJHLYUETH-RDJZCZTQSA-N 411.527 1.911 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 480448440 WKRWTNWXWRTMDX-CHWSQXEVSA-N 401.444 1.831 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 488725005 MDNHYGIXPXWJAL-UHFFFAOYSA-N 417.462 1.782 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C#N 489692141 QTRKLWITDUJZGJ-YLJYHZDGSA-N 400.504 1.423 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Br)cc2)CC1 492289631 GOUVEXRKPCKLME-IAGOWNOFSA-N 406.324 1.999 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 502616787 GBGBLYMLAIXFFU-LJQANCHMSA-N 409.508 1.815 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 503641395 GZFHFOXFCJMJRK-OAHLLOKOSA-N 422.407 1.638 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2)CC1 508463844 JHNPPVCKXDXILB-UHFFFAOYSA-N 424.530 1.961 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 517581969 VZNZCXXRQJNJGK-QGZVFWFLSA-N 412.471 1.332 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCC1 554906861 GVCIBUYVFGWSFY-UHFFFAOYSA-N 401.485 1.479 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(OC)cc1OC 561731011 TVGLMZOZYGREHI-SFHVURJKSA-N 404.444 1.909 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2cnccc2C#N)CC1 576685236 PLYXYHOUOMRWGS-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE COc1cccc(/C=C/C(=O)[C@@H]2C[C@@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585828285 QTJYIVDLVCVHCH-PSVQYUNKSA-N 421.497 1.944 30 10 HDEE CN1C(=O)COc2cc(N(Cc3ccc(C#N)cc3)S(=O)(=O)N(C)C)ccc21 586235877 CSXMPMBLBJDDAV-UHFFFAOYSA-N 400.460 1.726 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CC3)CC2)cc1 590126787 JMBFPMRCIOWRNV-UHFFFAOYSA-N 405.476 1.390 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@@H]2c2cccc(Br)c2)CC1 604189234 VZJRGCDBSGUGBA-IAGOWNOFSA-N 421.339 1.934 30 10 HDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609641736 MLUCCWAUJLTKPY-UHFFFAOYSA-N 415.475 1.658 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 610810619 KHSQNAASAYTZAB-CYBMUJFWSA-N 401.444 1.579 30 10 HDEE COc1ccc(OC)c(C=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)c1 727484783 UVFPXWQHUZAJSU-MRXNPFEDSA-N 412.508 1.726 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732649346 GPJAAOBVXDWBLE-QGZVFWFLSA-N 404.536 1.838 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(Br)c1 743344841 VRYXEFXZIBPKSU-SNVBAGLBSA-N 410.286 1.399 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 746104881 HILMRHGJPQPLIE-WDWGUKLMSA-N 412.446 1.450 30 10 HDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cc1 754040986 BWYICEGONBRLPP-AWEZNQCLSA-N 400.522 1.813 30 10 HDEE CCc1c(C(=O)O[C@H](C)COc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754543498 ZVDPXDMZUUXDOG-CYBMUJFWSA-N 422.441 1.691 30 10 HDEE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 759629543 YMCDUUHERQRYLS-CQSZACIVSA-N 401.488 1.910 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)S(=O)(=O)c1ccc(F)cc1 760408345 IRMOGDLWFPICHN-CYBMUJFWSA-N 416.496 1.908 30 10 HDEE Cn1cncc1Cc1noc(CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 762412355 WTVZVNAWHIKJEM-UHFFFAOYSA-N 414.491 1.845 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@@H](c3ccc(F)c(C)c3)C2)c1=O 763330244 BDENEBBGHTUDCW-GOSISDBHSA-N 416.453 1.022 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 771270734 UCAGKHRSLZWLJV-JOCHJYFZSA-N 422.441 1.529 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@H](O)c4nccn4C)CC3)cc2C1=O 772581049 MLSSQJGFYGQVRQ-SFHVURJKSA-N 408.458 1.788 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(Br)cn2)CC1 783015008 ZJVYRTPRWMAHDW-UHFFFAOYSA-N 417.329 1.277 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)c(OC)c2)n1 798455774 AEMHNLSNPGNFFA-UHFFFAOYSA-N 421.475 1.149 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1 802370888 LMQSHFXLSDTGST-IBGZPJMESA-N 420.473 1.987 30 10 HDEE COC(=O)[C@H](OC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)c1ccc(C#N)cc1 803468069 QEZZQKPWORWYQD-XMSQKQJNSA-N 408.410 1.723 30 10 HDEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 803700337 LQRDJRGIAQSTGI-AWEZNQCLSA-N 420.487 1.479 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(OCCC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 809709363 QMYLKIRPPFDSPF-QFIPXVFZSA-N 421.538 1.923 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1)c1ccc(F)cc1 812933666 JYPOZQJXACGJHM-QFBILLFUSA-N 404.486 1.368 30 10 HDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 814249862 ZLGZFGSQNFKPPI-KRWDZBQOSA-N 417.494 1.516 30 10 HDEE Cc1ccc(C=NNc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)o1 1084220373 YYVDZQSTTZYFST-UHFFFAOYSA-N 403.443 1.887 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 1132048524 YCNYBLRSUQJHEH-TXEJJXNPSA-N 410.268 1.821 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1134295505 QTXKTNQHPXIGOJ-BEFAXECRSA-N 414.524 1.051 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(Cn2cccn2)c1)c1cc[nH]n1 1136349189 LNEADJUAANMVIG-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCCOC1 1138143321 HVJDRDXNDGQIFT-WBMJQRKESA-N 412.439 1.211 30 10 HDEE CNC(=O)CN1CCC(NC(=O)COc2ccc(C#N)c(Br)c2)CC1 1141397472 HEWWRPOWRMLVIQ-UHFFFAOYSA-N 409.284 1.026 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c(OC)c1 1142745160 PQFQXCPMYNFJHI-UHFFFAOYSA-N 417.506 1.835 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(N)=O)c2ccccc2Cl)cc1 1148869070 LQHOZXVDWCWLTP-QGZVFWFLSA-N 419.890 1.598 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnc(C)c(C(=O)OC)c2)s1 1160197399 IFKJEIOFQHQSQP-UHFFFAOYSA-N 409.489 1.884 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC[C@H](CC#N)C1 1171910892 AYWSUZACBUXWGD-HUUCEWRRSA-N 408.524 1.898 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nc(C)cc(O)n4)CC3)n[nH]2)c1C 1178039394 RUJINHAOQLHVKL-UHFFFAOYSA-N 422.493 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)C1 1186640015 UWNALHBMQIVASE-OAHLLOKOSA-N 402.455 1.993 30 10 HDEE CNC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1195307741 WNGAIABREQYJCN-MRXNPFEDSA-N 409.490 1.981 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OCC(F)F)CC1 1202682781 CVIROUJDYRNXOH-UHFFFAOYSA-N 420.413 1.087 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 1224033313 QQHOBBFFVKRMJD-KRWDZBQOSA-N 419.547 1.777 30 10 HDEE COc1ccc([C@H](OC)[C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1230919352 WTRLYUYGCQEPSN-YVEFUNNKSA-N 413.434 1.172 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1283987926 KCFMGOVWPMBVBA-FWMLDDLOSA-N 401.507 1.083 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1286324371 OUUSXUCSWHJMFL-KRWDZBQOSA-N 424.567 1.616 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1286434315 WOJYMLXCCGCSKM-UHFFFAOYSA-N 410.869 1.545 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286452666 QLNGKAKUNVTWQU-MUGJNUQGSA-N 419.570 1.961 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(OC)c(OC)c1 1286462899 ZXGYFLKXYCDZOG-UHFFFAOYSA-N 408.462 1.887 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286831293 XOXMZIDSGFYCCV-INIZCTEOSA-N 420.583 1.843 30 10 HDEE C#C[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)[C@H]1CCCO1 1296699692 HFRAEJMTLWKFNV-DLBZAZTESA-N 413.478 1.707 30 10 HDEE C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)C(=O)OC 1299178977 QTPODIJJAUECTB-GFCCVEGCSA-N 416.171 1.803 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1299483679 GGJVMQCDYXVTTN-UGSOOPFHSA-N 415.519 1.769 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1300267193 FZZRUGIROVLWFV-HNNXBMFYSA-N 412.469 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1300308242 NUXHAAOZDPAKSU-NVXWUHKLSA-N 405.568 1.513 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 1300401923 UWIDPTHYSMDRIJ-NVXWUHKLSA-N 402.451 1.720 30 10 HDEE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1300414372 LPXJZONMCMSPIH-UHFFFAOYSA-N 420.433 1.710 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1=CCCOC1 1300520008 DUMDGRJWQWVJAX-UHFFFAOYSA-N 400.446 1.340 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)c(COC)c2)CC1 1300695667 FOFIREXOABQCHI-UHFFFAOYSA-N 421.480 1.824 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)OC(C)(C)C)CC1 1300722341 IZBZOIIJDFOEPY-UHFFFAOYSA-N 416.526 1.646 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300996328 DCRMNGVUHBSLGO-IAGOWNOFSA-N 416.482 1.847 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301257708 DEHXJHAIOQZXJJ-VQTJNVASSA-N 419.570 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301579478 SJFVFEAZUGMWQK-FUHWJXTLSA-N 416.551 1.614 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCCO1 1303627999 RLSIASYNLJXGMF-SJORKVTESA-N 404.515 1.838 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1303646568 SRSHPNYYIXNQCD-WBVHZDCISA-N 418.505 1.976 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1 1303761556 GAKLSKZENWGMAE-OXJNMPFZSA-N 404.488 1.834 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)c1ncc[nH]1 1304127037 BJIYXGIQUHPDEJ-LBPRGKRZSA-N 409.240 1.671 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)C2)CCC1 1304136958 ASVUGFHFQWAIBF-QFIPXVFZSA-N 415.490 1.905 30 10 HDEE C#CCN(CCS(=O)(=O)c1ccccc1S(=O)(=O)CCC)C1CSC1 1307918614 LUMKORIMOFNAOQ-UHFFFAOYSA-N 401.575 1.695 30 10 HDEE C[C@]1(C#N)CN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCO1 1308115433 XWAHMFHKNJHXCM-IBGZPJMESA-N 406.508 1.414 30 10 HDEE C#CC1(O)CN(Cc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCCC)C1 1308135793 IGDBCFFPQWVFRF-UHFFFAOYSA-N 407.474 1.327 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CCOCC1 1309701296 JGPIFJICJUASRT-OAHLLOKOSA-N 404.410 1.685 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(F)cc1C 1312919134 QZRPDTOWNDUOKH-QFBILLFUSA-N 401.486 1.421 30 10 HDEE O=C(NCC#CCO)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1313192116 XXVTWZWMJRMRAJ-UHFFFAOYSA-N 405.451 1.099 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@H]1OC 1316284590 BBFCGHWRFRGRBC-SUFIHLRJSA-N 423.489 1.496 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCN2CCCO)CCO1 1316541331 WWYDIRNWUDPKEY-MSOLQXFVSA-N 416.551 1.506 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1358910101 CWGKWLWDTMTCBB-QGZVFWFLSA-N 422.537 1.328 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1358963241 FCELJODZEPCEFX-GJZGRUSLSA-N 421.548 1.108 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1359000264 QKGYBWJVSZQVBL-MRXNPFEDSA-N 414.897 1.600 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCc1ccco1 1359024650 RZBBNZYVIHKTAX-MRXNPFEDSA-N 401.467 1.168 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359297179 ICAKUCPSAQEZIV-VGOFRKELSA-N 411.506 1.940 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359310819 HZFLMKJRJXAJEJ-UHFFFAOYSA-N 419.551 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1359331944 KYSBBRVVMUNPNU-UHFFFAOYSA-N 409.556 1.595 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1359633207 AMURXEOVPUBOPK-IBGZPJMESA-N 405.478 1.005 30 10 HDEE O=C1C=COC2(CCN(C(=O)C3(S(=O)(=O)c4ccccc4)CCOCC3)CC2)C1 1439744574 PSEWBXFQRAQBJT-UHFFFAOYSA-N 419.499 1.874 30 10 HDEE COCCNC(=O)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1440854494 SRIREWXCYFFOPQ-MRXNPFEDSA-N 410.515 1.575 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)C1 1457289596 AKFHIPQCJSDLCA-UHFFFAOYSA-N 419.503 1.552 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@]3(C(=O)OC)CCOC3)ccc2c1=O 1458044166 GDYXXOWGTOVXTP-IBGZPJMESA-N 403.460 1.181 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@@H](CS(C)(=O)=O)C1 1460859783 PEXMEFMBXVHDFA-JKSUJKDBSA-N 409.508 1.076 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CSC[C@@H]1C(=O)N1CCSCC1 1462942072 HBDAIVXEQIDMIN-CQSZACIVSA-N 415.537 1.645 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1464431404 QPLXSUPRTYKRNT-GJZGRUSLSA-N 416.544 1.504 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(I)nn2C)CC1 1464750146 NSCVWVCYMDNIIT-GFCCVEGCSA-N 401.252 1.331 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 1467699055 BSQGYBFQVHWUEK-FGTMMUONSA-N 400.870 1.650 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](OC)C[C@]3(C)C(=O)OC)n[nH]2)c1C 1471029665 HWKGWFSMKYRNBT-JLTOFOAXSA-N 401.467 1.869 30 10 HDEE CC(C)[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1494135743 GNWOJAQVRLULSV-QVKFZJNVSA-N 410.526 1.939 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1503260416 QMNCAPXSWSDHDN-MAUKXSAKSA-N 413.544 1.492 30 10 HDEE COc1ccncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1504456803 HTZKPTPZBZZUQP-MRXNPFEDSA-N 403.446 1.580 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1507532657 MLNVNFULGRIDQX-MAUKXSAKSA-N 402.520 1.833 30 10 HDEE C#CCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1507593779 GFPSGLGFIVHWGO-LJQANCHMSA-N 406.490 1.715 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N(C)C2CC2)CC1 1507737125 ZULMSTPINBBYGS-KRWDZBQOSA-N 421.549 1.789 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1507810123 ZIDGJXATMRCEAP-LFDJNIOPSA-N 417.510 1.712 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507981451 IWPJXLBWXTZGDK-GOSISDBHSA-N 423.521 1.200 30 10 HDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCCC1 1508095426 OTYIARSKKPNKCE-UHFFFAOYSA-N 423.565 1.545 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 1508160577 GXVKLZKSAYYUSY-CQSZACIVSA-N 423.568 1.020 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1508796033 LSFVLMTXZWQYOA-OAHLLOKOSA-N 400.458 1.975 30 10 HDEE CCCCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1514461509 SAGJFGFMNUZERW-HNNXBMFYSA-N 421.523 1.946 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1516129669 HWSOZBWSLBLKPM-BEFAXECRSA-N 402.503 1.287 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1519073704 UNDFVLPYCUDPSF-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)C1 1521062958 LODQPXHPTFGVHL-ABSDTBQOSA-N 406.506 1.461 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CC(F)(F)F)cc1 1521109851 GWQSQRZCSASRIJ-ZDUSSCGKSA-N 421.383 1.505 30 10 HDEE C[C@H](C(=O)NCc1cccc(OCC#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521506620 COFLIBVIBPPFIN-OAHLLOKOSA-N 416.478 1.673 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)nn1 1521729586 CWXQFRHUKXXQEA-UHFFFAOYSA-N 417.535 1.908 30 10 HDEE CCCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 1527274816 YCBOGKVOLGEZLL-HGNXGAGXSA-N 406.508 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCCN1CCCS1(=O)=O 1531221863 JOKHENMBURAFIO-OAHLLOKOSA-N 416.544 1.505 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccc(C#N)s2)C1 1537529757 SWWKKRBHGTVHFX-ZDUSSCGKSA-N 413.521 1.774 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539132880 RVWKGAMSPSVBIF-QGZVFWFLSA-N 400.527 1.557 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ncn(-c2ccccc2)n1 1539230061 BPRJWSYHDFNVBT-UHFFFAOYSA-N 402.462 1.118 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCCn1cc(CO)nn1 1539311434 MIHFVHQZFUPOBE-UHFFFAOYSA-N 403.490 1.891 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)N1CCOCC1 1540059580 SWXQPALLKPWDLD-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(N)=O)c2)C1 1540889554 OTVBQLUUIDIWRC-GOSISDBHSA-N 419.489 1.858 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(N3CCCC3=O)ccc2F)cc1 1542169947 HIRNXMYPCPBXKA-UHFFFAOYSA-N 416.434 1.741 30 10 HDEE C=CCOc1ccc(CC(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1543165548 QARDYWSDKMYDRZ-UHFFFAOYSA-N 417.487 1.457 30 10 HDEE COCC(=O)NC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1544147468 GOVBMPQFZBMISC-CQSZACIVSA-N 418.881 1.318 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC(=O)N(C)C 1545545891 GQDUJEGUFWCBBJ-GJZGRUSLSA-N 411.514 1.257 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1552728410 MANPEQAQKQXGMQ-KRWDZBQOSA-N 405.466 1.338 30 10 HDEE CN(Cc1ccco1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1554182108 QPPWOJXOQPKJBQ-GWOGKKTRSA-N 412.450 1.885 30 10 HDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1554636342 FHWBMVYPASTZGK-LJQANCHMSA-N 424.505 1.712 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)NC1CCCCCC1 1556750128 ZQSCRRGEFBFJLX-LBPRGKRZSA-N 401.510 1.469 30 10 HDEE COC(=O)[C@H](Cn1ccnc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1558969355 CMEJRYWOLVOGGZ-INIZCTEOSA-N 404.467 1.191 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 1558973735 FGPJRPOQWWDVJK-LMMKCTJWSA-N 403.479 1.644 30 10 HDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 1560098349 FTHQLTXUQZTIFS-QFIPXVFZSA-N 410.474 1.573 30 10 HDEE COCC1(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1564967698 GGJGKKONQYMSJU-UHFFFAOYSA-N 406.508 1.391 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)n[nH]2)c1C 1566015996 YXHYYHHFHPFTGU-RNODOKPDSA-N 411.466 1.184 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](OCC)[C@]23CCCO3)s1 1567413982 IEUQYYWYSOUYLA-VKJFTORMSA-N 414.549 1.598 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1c1nn[nH]n1 1567808736 BVLQQMOXTHWRFQ-WDEREUQCSA-N 402.908 1.852 30 10 HDEE C=CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1580007815 KSJIAJUABLJGMS-RFSXOUPVSA-N 403.523 1.093 30 10 HDEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1585131972 GOLZNLCHHKYESM-VCBZYWHSSA-N 421.544 1.452 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1587381717 CNVJEGABZRUGFD-CYBMUJFWSA-N 407.264 1.980 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)N2CCCCCC2)CC1)C(=O)OC(C)(C)C 1587451864 JAVVYVDSDVFBSR-UHFFFAOYSA-N 420.554 1.404 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1587569383 XHIMRHIMOGFXED-IIBYNOLFSA-N 405.543 1.939 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1587626185 IEBUKGCGVCCTCQ-VQIMIIECSA-N 408.506 1.572 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1588263635 YSEWDTNQTPNEMV-UHFFFAOYSA-N 412.885 1.498 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1593800246 KSEXIFVRATWLJY-UHFFFAOYSA-N 420.905 1.294 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1595529634 BOJYMCVDPBYUMZ-LJQANCHMSA-N 421.505 1.867 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1595583340 CQQNTOVKCGQBHH-HNNXBMFYSA-N 407.492 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595805320 NGDOBKHXCCBBBU-UHFFFAOYSA-N 406.508 1.849 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCC2(C1)OCCO2 1597805448 CFMZZSXSZOEQIW-ZBFHGGJFSA-N 421.519 1.552 30 10 HDEE Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612604882 BEAHDUVCHCHZDA-HNENSFHCSA-N 415.542 1.671 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)c1 1616330747 LKNBLJUPUVRROZ-AWEZNQCLSA-N 414.487 1.840 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(Cn4cnnc4)CC3)C2=O)cc1 1616694765 HUXVAPXAEVOZHQ-SFHVURJKSA-N 421.461 1.294 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1618814327 SXNSFMJFTUMWRT-QGZVFWFLSA-N 410.559 1.716 30 10 HDEE CO[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1619530053 DANQBKVAATXQJH-NXDJFEHLSA-N 414.510 1.618 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1620346423 AVOPWDGQKHPAKF-UGSOOPFHSA-N 419.848 1.799 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OC 1622571294 ARJBOTRKEVVMEZ-DOTOQJQBSA-N 411.476 1.729 30 10 HDEE COC(=O)[C@@H](O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624386238 KCGWETCIVKVKOZ-HOTGVXAUSA-N 403.435 1.043 30 10 HDEE Cc1cc(C2(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOCC2)on1 1624819456 MIOWSIYQMQZXPI-GJZGRUSLSA-N 404.467 1.907 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1)C(=O)OC 1626188441 YUXWCDKEKQIAIP-MSOLQXFVSA-N 413.499 1.767 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)c1 1626252568 UQYLWNOAFIVJBX-JOCHJYFZSA-N 415.490 1.875 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 1626842719 DCBRCRBTILEUSN-QGZVFWFLSA-N 416.474 1.697 30 10 HDEE CCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1627400540 GSRNZVVRLKCQSS-OAHLLOKOSA-N 419.482 1.459 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN(C)S(=O)(=O)CC)nc1C 1628357073 SRMJECOLQJVWLC-UHFFFAOYSA-N 416.554 1.405 30 10 HDEE C[C@H]1CN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C)CO1 1629043448 VCOULKRQKOGKAZ-KBPBESRZSA-N 421.339 1.982 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCS(=O)(=O)C3)C2)C1 1629553419 CGIKWJHMVWCSJI-RQMAVPSVSA-N 411.524 1.324 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)NCC2(C#N)CC2)(C(=O)OC(C)(C)C)C1 1635263090 UXMLJJYSFPDMHV-FQEVSTJZSA-N 409.483 1.754 30 10 HDEE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1639123246 XISTZJHKRBPCBF-MSOLQXFVSA-N 401.463 1.236 30 10 HDEE COc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1639962079 LHCZUSIHVZXFMQ-KRWDZBQOSA-N 417.487 1.623 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)ccc1F 1640601216 CUSMGKNCUJJFNN-GOSISDBHSA-N 419.434 1.767 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 1642202964 ZMJVMSSTIOHPDM-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)COCCO3)CC1 1644287711 WSNHLRAXAOBKCW-HXUWFJFHSA-N 416.497 1.416 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)CC1 1645391063 HBUHQANDXDAMML-UHFFFAOYSA-N 419.528 1.277 30 10 HDEE N#Cc1ccc(N2CCN(CCOCCN3C(=O)c4ccccc4C3=O)CC2)cn1 1648244634 VFYLJULMBPOIAV-UHFFFAOYSA-N 405.458 1.388 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](Cc4nccs4)C3)CC2)o1 1648366240 HTFXCEMFPRJDEG-INIZCTEOSA-N 414.535 1.915 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1652173425 RWCQMPTWCNJYFJ-AEFFLSMTSA-N 406.571 1.426 30 10 HDEE CCOc1ccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1653247341 FRVXUTINJVOWMW-OAHLLOKOSA-N 401.488 1.983 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)nn1 1654645738 HOIVSDXMWZXPFP-DLBZAZTESA-N 404.515 1.994 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1655394952 TYVAQKMKDBCXBI-DOTOQJQBSA-N 413.499 1.572 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCc3c(sc(N)c3C#N)C1)C2=O 1655796929 AVOXVSBJMFQAQW-UHFFFAOYSA-N 416.507 1.092 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C(=O)OC 1655866939 UEEBOTDTZSJIKC-LEWSCRJBSA-N 405.476 1.329 30 10 HDEE CNC(=O)CC1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1660702553 BXLYPJYSEBKCHG-UHFFFAOYSA-N 400.298 1.858 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)n1 1668982819 JJTFZJYHLIWPSV-UHFFFAOYSA-N 418.519 1.948 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 1671100700 IZEZKNDSCVHVKI-GMSGAONNSA-N 417.281 1.928 30 10 HDEE COc1cc(OC)cc([C@H](NC(=O)N2CCN(CCC#N)CC2)c2nccn2C)c1 1676443321 HJCCCQSUPMTAIV-IBGZPJMESA-N 412.494 1.768 30 10 HDEE CC#CCN(C)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1677552032 UTRGMLQCDOQVJL-UHFFFAOYSA-N 423.535 1.769 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(C)CC1 1677788550 ZUUAKLVDKSDLNN-UHFFFAOYSA-N 418.563 1.710 30 10 HDEE C=CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H](C)COC 1679033683 XVNMPDHJEGGZCQ-GFCCVEGCSA-N 401.451 1.781 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](n3cccn3)C(F)(F)F)C2=O)cc1 1680779421 XMLQGXUUANXQKC-CVEARBPZSA-N 420.395 1.958 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N(C[C@H](O)COc1ccc(CC(N)=O)cc1)C(C)C 1686497796 CGJDYDMKVFSBGI-UHOSZYNNSA-N 405.495 1.218 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1689863408 SXSIBZHOOHDJLV-ZWKOTPCHSA-N 408.506 1.907 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(=O)(=O)CC 1689934495 XYUMZJSRDYVYAX-UHFFFAOYSA-N 414.535 1.801 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689986327 NHRCGPJQTQXNRM-MRXNPFEDSA-N 417.535 1.215 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1689987973 GRUCAWXLTCAKKM-INIZCTEOSA-N 419.507 1.355 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1689989146 BIVNLZAAGYQZRA-MRXNPFEDSA-N 418.567 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1690043960 UPUFNLOXYAELJZ-KRWDZBQOSA-N 408.437 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC1(O)CCN(C(C)C)CC1 1690099688 HKVFAPSUPCRTGW-UHFFFAOYSA-N 400.527 1.595 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1690103814 HBSGAYICNRKFIN-CQSZACIVSA-N 424.473 1.593 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](OC)C(C)C)CC1 1690110617 UGKIEBIQUAVLTQ-KRWDZBQOSA-N 411.510 1.352 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1690515137 GCWAIKHERGOYOE-ZDUSSCGKSA-N 409.512 1.576 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1690583852 YNJLBSVKTZWEPQ-UHFFFAOYSA-N 403.575 1.621 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1690667856 KHLFJACJIGZDOY-UHFFFAOYSA-N 410.482 1.825 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690677828 BNQDVTWOVXLSHN-RZQQEMMASA-N 423.583 1.951 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1692662387 KUIOTBBYIMTFNP-VLXJIEOASA-N 402.455 1.284 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)cs1 1693362752 WYEATVGMPXMPSG-PBHICJAKSA-N 406.537 1.231 30 10 HDEE Cc1nnc(N2CCC(c3nccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693478633 JDYURQKEZADOGG-WUKNDPDISA-N 413.507 1.953 30 10 HDEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1695175900 PUSFUBYYRZFHCH-HOCLYGCPSA-N 409.560 1.255 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1705475636 UEEQMOZGXMQJHV-ULQDDVLXSA-N 410.588 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1705493338 HFOXANOBPJURHH-APWZRJJASA-N 420.517 1.858 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705537527 JBAHGUMTOGFTFD-MRXNPFEDSA-N 410.478 1.493 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1705596035 PTLYKKIJKCCMLL-UHFFFAOYSA-N 406.490 1.360 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1705604862 VNCIXHSYJPPNIU-HNNXBMFYSA-N 424.571 1.187 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705662805 LWCBYCHFYHRFGZ-HNNXBMFYSA-N 407.565 1.500 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705698126 PUTXYFPYAHBUFB-QUCCMNQESA-N 402.543 1.312 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@H](C(N)=O)C1 1705903671 PTBBJQHRVGAXOZ-NSHDSACASA-N 406.849 1.351 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)COCCO1 1706965101 KXJWUNVZYQGCAJ-BZLDKRAPSA-N 419.526 1.731 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712137908 GLDDWHAJKPMQDZ-WMZOPIPTSA-N 411.510 1.658 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722276761 IWYJWLAIXBRHKA-OPAMFIHVSA-N 411.506 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1722293845 TWCUJMYUDMDXMN-CZUORRHYSA-N 419.489 1.967 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722368575 SCBXVJVYKFWONC-IRXDYDNUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCOCC1 1722386329 UWOYLEZJNIIZII-UHFFFAOYSA-N 411.481 1.791 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(F)c1 1722396388 IAKGJJYUDYAMBV-QGZVFWFLSA-N 400.479 1.831 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C3CC3)CC2)CC1 1722429925 UWXNXWFIMPRWPO-UHFFFAOYSA-N 413.570 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1722447184 IUQZRZLQNAWCCY-SFHVURJKSA-N 400.571 1.927 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722507774 PWSHAINLUXAPBG-INMHGKMJSA-N 400.483 1.659 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722617222 HYVPRTBXAKGMKO-DLBZAZTESA-N 424.567 1.921 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722624808 IYXPXJOOKVRMDE-UHFFFAOYSA-N 413.482 1.387 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1722631652 SJUVOAKRIDYBES-OAHLLOKOSA-N 412.560 1.303 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(F)F)C1 1722692061 WBUVCAIZERDBRM-ZDUSSCGKSA-N 419.436 1.709 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 1722718491 KVJMARQLKVJGNK-DLBZAZTESA-N 420.539 1.167 30 10 HDEE CC(C)CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723400042 HBDIPZCIVDKUPS-UHFFFAOYSA-N 409.494 1.982 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOC(F)(F)F)CC2)c1C#N 1725861258 HDQKWBTWKFFCMG-UHFFFAOYSA-N 412.420 1.753 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1727658067 BBUOYIRAEVEVDQ-LJQANCHMSA-N 422.489 1.790 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1729727358 ZEKKKJRLBMLARZ-GOSISDBHSA-N 409.494 1.464 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740570327 WNPPLYMYMGZOIQ-MRXNPFEDSA-N 404.540 1.842 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622807 IWDZSOWIKDPTJW-CVEARBPZSA-N 421.567 1.682 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCOCCN(C)C)CC1 1740697276 YCJOOUOYHWZOFE-UHFFFAOYSA-N 414.529 1.341 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@]2(O)CCc3ccccc32)CC1 1740705124 BHICXCNGBRJBFS-QHCPKHFHSA-N 407.518 1.640 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1740862411 RLWLITSXNDUXRV-INIZCTEOSA-N 401.515 1.580 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740866313 AAYYNFHOSXVXRS-UHFFFAOYSA-N 404.515 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)CC1COC(C)(C)OC1 1740959400 UFIUVJGXYDMOOJ-UHFFFAOYSA-N 414.510 1.786 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1742309010 GRWKHSSFXRKMPD-HNNXBMFYSA-N 418.523 1.327 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748811836 MKCLYLJMJKWLPQ-OWCLPIDISA-N 418.498 1.500 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2[nH]1 1748846125 CYAAEPARDGJKER-SFHVURJKSA-N 421.526 1.977 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC1 1748896566 FWMXCASXONCXCQ-UHFFFAOYSA-N 404.518 1.592 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1748929493 KQLMYMKYUHPLGP-KRWDZBQOSA-N 404.492 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(NC(N)=O)cc1 1748964335 BTNXVFMPXMEVBM-UHFFFAOYSA-N 419.489 1.889 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H](C)N1CCN(CC)CC1 1748964658 LZQUYJHIGSDLFV-LJQANCHMSA-N 404.603 1.979 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2CCN(C(C)=O)CC2)CC1 1748984056 KGYFMTAVXKRIDP-UHFFFAOYSA-N 407.522 1.354 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](CO)O1 1749079622 DCOSVINBMFOYHA-HUTLKBDOSA-N 404.511 1.534 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1749450264 ALHFUWXSHVRWLE-WMZOPIPTSA-N 407.515 1.263 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2OC)nnc1N1CCOCC1 1749740680 XWAYDGLOPUFXSE-UHFFFAOYSA-N 422.507 1.303 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1750388585 QFTBWXZEFLTKOI-CVEARBPZSA-N 421.548 1.484 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1751095244 BJXIKIBLBDNFBL-DOTOQJQBSA-N 402.524 1.970 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1760105486 QMJBNHMPZSZOEZ-OAHLLOKOSA-N 414.477 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1760117357 OBUGDLUOURYWIK-KGLIPLIRSA-N 423.926 1.766 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1760143214 ZEFXXARUHUHLSE-NHCUHLMSSA-N 401.511 1.593 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1760230692 NDVAKTVFDKFUNS-UHFFFAOYSA-N 413.503 1.216 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCCN2CCOCC2)CC1 1760265230 SPSYWJQONCIRNR-UHFFFAOYSA-N 416.570 1.480 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1760432348 HZOPVPOXNBCKOH-ZBFHGGJFSA-N 407.544 1.930 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1760522268 PDZBJEFVPBLSPV-UHFFFAOYSA-N 403.531 1.163 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CC2)C1 1760537805 QLAYBADZRSHHQY-DUXKGJEZSA-N 406.527 1.873 30 10 HDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCN(C)C2)cs1 1762271866 PHTZYMSUWGCJHR-HXUWFJFHSA-N 415.567 1.831 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1767493179 HTLPKKJLENBOBX-IBGZPJMESA-N 420.539 1.475 30 10 HDEE COC[C@@H](F)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1770801897 SDSQSTOZCAFJTP-IFXJQAMLSA-N 401.421 1.943 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC2CC2)CCO1 1771537565 QJYMSELCRXDRTF-CQSZACIVSA-N 416.432 1.402 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3[nH]nnc3-c3ccccc3)CC2)nc1 1851966749 DKLDDINSAYBRTJ-UHFFFAOYSA-N 403.446 1.717 30 10 HDEE COCc1nc(-c2ccnc(N3CCN(CCOc4ccc(C#N)cc4)CC3)n2)no1 1852430616 XYRVGKIOJFAYQH-UHFFFAOYSA-N 421.461 1.746 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3ccc(Br)cc3)C2)CC1=O 1854202944 PWJBRLFHLKGFEU-MRXNPFEDSA-N 405.296 1.608 30 10 HDEE C=CCCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C(=O)[C@H]1C 1854279831 FBUGIDHOFPEHJZ-MRXNPFEDSA-N 408.520 1.885 30 10 HDEE Cn1ccc(C(=O)N2CCCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n1 1854746258 QOMODSAZAQKPCR-GOSISDBHSA-N 407.478 1.030 30 10 HDEE COc1ccc(CC(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1C 1854998082 MEKINADDPUDNKT-QUCCMNQESA-N 412.534 1.984 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@H](C2CCN(CCCC#N)CC2)CC1=O 1855010795 RMAHYCUAZZPLLA-MSOLQXFVSA-N 424.567 1.191 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(c4ncncc4C)CC3)C2=O)cc1C#N 1855437492 SYOZGUSVAWMEFV-LJQANCHMSA-N 404.474 1.528 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2ccc3c(c2)OCO3)CCN1Cc1ccc(C#N)cc1 1855599899 JZOXPPKFQWTFRO-HNNXBMFYSA-N 407.426 1.925 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H](F)CC3CCC3)C(=O)O2)CC1 1856671371 BSCZMRMPHMNBJM-LSDHHAIUSA-N 401.460 1.427 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](CN4CCCC4)C3)ccc21 1856957941 ONJDNVATPSFOOX-HNNXBMFYSA-N 416.503 1.122 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857086911 GFDZZTKSXVSVIV-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc(OC(C)C)n2)C1)[C@H]1CCN(C)C1=O 1857270431 LYBHWAAAGBBOFH-AEFFLSMTSA-N 414.506 1.576 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CSc2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857274021 FYKXZQMRRIJKCQ-SJLPKXTDSA-N 401.532 1.873 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)s1 1857506209 NHIBSBKYKMNAOW-FZKQIMNGSA-N 409.467 1.961 30 10 HDEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1/N=C/c1ccc(O)c(O)c1 1874380548 YVLWJIRTVHSNNK-ZVBGSRNCSA-N 401.423 1.879 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(OC)c(O)c1 1874470705 NNTZHYFPEBCYRY-RGVLZGJSSA-N 407.496 1.682 30 10 HDEE COCCc1nnc(SCCCO)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874474305 WWKVZEVZOZROEM-XDHOZWIPSA-N 410.496 1.850 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)[C@@H]2COC[C@H]2O)[C@@H]1c1ccc(C#N)cc1 1889306403 FQUACGRHJYPZMQ-FPAYPSAMSA-N 403.504 1.170 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)s1 2054405950 QHSNBVDNXZADBJ-HZPDHXFCSA-N 421.500 1.982 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 2074667757 VFAATHHKODGPCJ-INIZCTEOSA-N 403.416 1.248 30 10 HDEE C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C(=O)OC(C)(C)C 2124710433 UWWLMRVZIZMUIQ-UHFFFAOYSA-N 401.872 1.796 30 10 HDEE C#CCN(CC(C)(C)C)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2180085354 DKYYKJVFANLDFX-HNNXBMFYSA-N 400.541 1.919 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)N1CCC[C@H](CC(=O)O)C1 2196997160 KROQVMFNEVJPED-CQSZACIVSA-N 405.517 1.479 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2243394214 DQFMZNVRLDJWAG-KBXIAJHMSA-N 410.320 1.955 30 10 HDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247919205 SXSMUCAMNUOBJS-TZMCWYRMSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247929835 AEMAIPSYKYUHAF-HZPDHXFCSA-N 422.331 1.745 30 10 HDEE C[C@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2247930742 CYHFFLSNBKMEOR-HNNXBMFYSA-N 422.331 1.888 30 10 HDEE C#C[C@@H]1CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167591 DMTDOQITRRMJQU-PVAVHDDUSA-N 408.476 1.176 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2267358733 HMQAEBAFDAEQBQ-UHFFFAOYSA-N 409.313 1.432 30 10 HDEE CS[C@H]1COC[C@@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282047168 VLUGJARAXJTHJV-UWVGGRQHSA-N 401.725 1.233 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282053550 IWCWKFBDDMBHQL-LLVKDONJSA-N 402.347 1.057 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282318036 CHRVPFVEKJDOAO-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE CCO[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282416355 UXOJFWPVVJTMDT-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@]2(C)CO)OC1(C)C 2282491294 NHGSMXGUPQDEAD-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE C[C@@H]1C[C@@H](O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282493392 SXELEUWZEDFELX-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)OCCO1 2282669712 APHRPLLCYNQSJW-MRXNPFEDSA-N 402.300 1.996 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H]1N 2282828052 HZXISSRAVQTSCZ-RISCZKNCSA-N 400.737 1.607 30 10 HDEE C[C@@H]1CCOC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833580 IXWHCOAXJQCIAH-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282849531 CLPWKZKFPBLGJT-AVGNSLFASA-N 400.375 1.807 30 10 HDEE CCN(CC1CN(C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851675 FNSYHLNLFMBLOP-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@](C)(CO)C(F)(F)F)OC1(C)C 2282852258 MZHOHTIREGQQTH-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE CN([C@H]1CCC[C@@H]1CN)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855472 FICPMKBTTBBLKF-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284397595 NSFCSZGRQRDDFQ-SNVBAGLBSA-N 421.371 1.532 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC(=O)O 2284410748 WHZCFTWNSVXJMQ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CN(CC(C)(C)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284416473 YLNLMEMUDSTSTI-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288910046 LXBZGSRVIDLPQB-CHWSQXEVSA-N 402.347 1.117 30 10 HDEE O=C1Oc2ccccc2C(=O)C1=CNCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2297633262 RAOYZWGLXJTYRV-CABCVRRESA-N 419.437 1.069 30 10 HDEE O=C(O)CN(CC(=O)O)N=Cc1cc(Br)c(O)c(Br)c1 2322991807 NGDJYBFSLBIORW-UHFFFAOYSA-N 410.018 1.722 30 10 HDEE C#CCN(C[C@H](NC)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2328459086 HDPFHPCSQOMGTC-LBPRGKRZSA-N 416.320 1.818 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1 2362317494 SCMTYAUTHKQIHR-LSDHHAIUSA-N 401.529 1.870 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2NCCNS(=O)(=O)C(F)F)OC1(C)C 2364862695 KQFWRTQYSAUUJW-UHFFFAOYSA-N 411.667 1.588 30 10 HDEE CN1[C@@H](CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2364909079 DIQQDHGUSZVUIC-GFCCVEGCSA-N 401.725 1.480 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365172736 FFSWSYCBFYGXIA-LJQANCHMSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365208082 RGJAWMOCGZAXQV-LIRRHRJNSA-N 401.525 1.828 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCCC1 2367167243 MWVNKNJETUKDHK-LSDHHAIUSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1 2367788637 PKXXSDBYVIRCDQ-IIDMSEBBSA-N 400.541 1.617 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792323 NLNDNSZXUHJHLH-ZIAGYGMSSA-N 403.497 1.588 30 10 HDEE C[C@@H]1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 2367815095 DHDLGINSLLQFEX-BKEDOTJMSA-N 400.541 1.291 30 10 HDEE CC1(C)OB(c2csc(COC3CCN(S(C)(=O)=O)CC3)n2)OC1(C)C 2368902049 KPWHCUGNFBGXFZ-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NC1(C#N)CCCCC1 7734499 UTBDDEXZPCUVQI-ZDUSSCGKSA-N 411.455 1.378 30 10 HDEE C#CCN(CC(=O)N[C@H](c1ccccc1)c1nccs1)[C@@H]1CCS(=O)(=O)C1 111192822 YDYHSYNLXIVHJD-SJLPKXTDSA-N 403.529 1.471 30 10 HDEE COc1ccc(Cn2ccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)cc1 429982180 AHCYPVDBLUHDBX-UHFFFAOYSA-N 417.473 2.561 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 437751477 RDDOUKQFNUUWFI-UHFFFAOYSA-N 402.886 1.977 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cnc(-c4ccccc4)nc3)CC2)n1 444196864 NHJZPXNVBZRVNY-UHFFFAOYSA-N 406.471 1.921 30 10 HDEE COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460774687 CJRDEEFCQWUPJI-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460812125 WOZAVBIDGIKKCQ-IBGZPJMESA-N 412.538 1.975 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1 461189157 CNTXDDDUQVXDRL-UHFFFAOYSA-N 403.460 1.292 30 10 HDEE Cn1ccnc(N2CCN(C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)c1=O 467712702 IWRXQQWAICYOCV-UHFFFAOYSA-N 404.377 1.607 30 10 HDEE C=C(C)C[C@H](C)C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@H](C)CC(=C)C)CC1 469107255 ZPXNSENMLREOCI-MSOLQXFVSA-N 413.584 1.781 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H](CO)c2ccsc2)CC1 473173347 UJWSUUDUEFQKME-OALUTQOASA-N 402.495 1.919 30 10 HDEE COCc1nc([C@@H]2COCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)no1 501991156 VLIPYQUSHZMDQO-LBPRGKRZSA-N 400.363 1.128 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(OC)c1 505581787 MKRBQQNPFAKWNN-UXHICEINSA-N 418.534 1.734 30 10 HDEE Cn1cc(C(=O)NCC2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)cn1 506188145 FQYOUKRLQCCNRT-OAQYLSRUSA-N 417.510 1.650 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1S(N)(=O)=O 508119837 MQMFOOHAULZIAL-QGZVFWFLSA-N 412.471 1.440 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2ncccc2C#N)CC1 514731876 LQZRXZCIRIMGRK-KRWDZBQOSA-N 422.489 1.041 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 524754885 NETQRDDCAROAMJ-OAHLLOKOSA-N 422.551 1.480 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)CC2)c1C#N 530468640 UEAVLVJILZZDIJ-UHFFFAOYSA-N 410.453 1.807 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cnc(N3CCCC3)nc2)CC1 536636366 PHKXUVBNXCARNV-UHFFFAOYSA-N 412.519 1.455 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 537291861 YBSMAYQHQDKMBM-RCCFBDPRSA-N 415.563 1.448 30 10 HDEE Cc1c(C#N)c(NC(=O)CCN2CCN3CCOC[C@H]3C2)n(Cc2ccco2)c1C 541699990 GUWNKDLVBJRSNO-GOSISDBHSA-N 411.506 1.963 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cnn(-c4ccccc4F)c3)CC2)n1 545478013 HOXZAACGEZUYJJ-UHFFFAOYSA-N 412.450 1.789 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cnccn2)CC1 549704955 ASOMGTGFDRQGRV-HNNXBMFYSA-N 418.523 1.594 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 553852968 IJKCETQPGUYIRH-UHFFFAOYSA-N 407.474 1.359 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@H](CC)C1 555252362 LBMPHBWVMQOEJY-ZIAGYGMSSA-N 420.530 1.630 30 10 HDEE N#CC1(CS(=O)(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1 558428418 WMFQKKNELTWGSM-UHFFFAOYSA-N 411.549 1.701 30 10 HDEE CN(C[C@H]1CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1)S(C)(=O)=O 566754734 HLRCWUKXLYEZPT-RDTXWAMCSA-N 401.529 1.378 30 10 HDEE C[C@]1(c2ccc(F)cc2)CC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 568574247 IBVUQJHZRDQIHO-LJQANCHMSA-N 401.419 1.583 30 10 HDEE CCc1c(C(=O)Nc2cc(C#N)c3ccccc3n2)cnc2c1c(=O)n(C)c(=O)n2C 573284681 HAVGFQUDDXKWHD-UHFFFAOYSA-N 414.425 1.867 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccccc1C#N 574313304 PAAXCTBRDPQCPI-UHFFFAOYSA-N 418.453 1.467 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)c3cncc(C#N)c3)C2)c1 578285098 VNQFHYKRVMZACQ-AWEZNQCLSA-N 402.476 1.775 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2ccncc2)C(=O)O)cc1Br 590599875 HIYPGXLBYGSMNO-CQSZACIVSA-N 410.249 1.690 30 10 HDEE CC[C@@H](C)N(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920076 RBUQFYXZQQIESS-MRXNPFEDSA-N 407.540 1.304 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)NCC#N 609411775 ROYJOITVYUYUJH-HNNXBMFYSA-N 424.486 1.869 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(CC)c(=O)cc2C1 670222002 KHSMXJOXXRQYOJ-UHFFFAOYSA-N 413.526 1.912 30 10 HDEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CC)c2)c1=O 732560863 AHUFSJHVRIQLIB-UHFFFAOYSA-N 422.510 1.931 30 10 HDEE COC(=O)CSCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732707375 ZDZXOASTCRJFSH-KRWDZBQOSA-N 416.503 1.230 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 733672963 IMYDOQKUOATGQS-UHFFFAOYSA-N 406.508 1.005 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1cccnc1 757606486 SAYIBJWSTVVPFX-LISAXSMJSA-N 413.478 1.476 30 10 HDEE COc1cc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc(OC)c1O 758416046 WJNVSGLDKYYZSF-KBPBESRZSA-N 420.466 1.968 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(COc2ccccc2F)on1 768077414 CZYHAFJLMOLXMO-ZPHPHTNESA-N 400.366 1.649 30 10 HDEE CCOC(=O)CN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 768603292 HLLPYGSOGVCIEO-ZDUSSCGKSA-N 407.492 1.448 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780885049 AUSRGQMONAKJEP-LJQANCHMSA-N 416.478 1.225 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1cncn1Cc1ccccc1 782049129 QDLDDSNFRHROKU-UHFFFAOYSA-N 410.455 1.713 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(N=Cc3c(Br)cnn3C)C2=O)cc1 782151793 LGJVVXOXVIVVOW-MRXNPFEDSA-N 406.240 1.992 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 782474885 ZJKZJSDNALXDIG-UHFFFAOYSA-N 409.489 1.213 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1CN(CC(F)(F)F)C1 786847820 GGANWGLRICPDSN-UHFFFAOYSA-N 407.352 1.720 30 10 HDEE CO[C@H](CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 787463755 LKCYSHIAFGWPOW-CYBMUJFWSA-N 407.414 1.589 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccccc2C(=O)OC)n1 788695690 XYVAUBMXYLPZJP-UHFFFAOYSA-N 405.476 1.281 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NN=C2CCN(CCC(=O)OC)CC2)cc1 788720787 VMKOUVHVIYYEBQ-UHFFFAOYSA-N 411.480 1.157 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCN(c2cccc(C#N)n2)CC1 797984005 LBMKLQMQALLWPH-UHFFFAOYSA-N 402.524 1.133 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](F)(C(=O)OC)C1 800788026 TZHLSWMZUKPTEH-FQEVSTJZSA-N 417.441 1.982 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 805824430 QWSISHJSWFYEAG-IBGZPJMESA-N 403.487 1.582 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812526409 JKLOVVSBLFTMHD-LJQANCHMSA-N 402.447 1.951 30 10 HDEE C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(F)cc1 812749430 OOJNIJKQOIVUMV-PXAZEXFGSA-N 403.435 1.082 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)c1C#N 814398276 VBVGOORUSJJNCS-UHFFFAOYSA-N 407.492 1.877 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[C@@H](C#N)C(=O)NC1CCCC1 917041347 WKGCMRRHVLRPQZ-GOSISDBHSA-N 419.503 1.397 30 10 HDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917701204 WSFOFNPWYOYSLY-BLLLJJGKSA-N 413.503 1.683 30 10 HDEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 1129491276 DDYUSIIWEVHYDM-QGZVFWFLSA-N 405.458 1.840 30 10 HDEE C=CCC[C@@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1140929613 KZQQKTTYPQTEJK-GXTWGEPZSA-N 400.522 1.602 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1146222389 YUUVWMYICNNRPT-IBGZPJMESA-N 402.472 1.784 30 10 HDEE C/C(=C\C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N)CN1CCOCC1 1148732070 OQKAACGLYRUYIK-NBVRZTHBSA-N 422.533 1.962 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](O)C1 1152295500 KXHZOABQAXBFGW-AEFFLSMTSA-N 411.462 1.844 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)N1CCCC1 1155804850 JXGAGNIGZBJKPH-LBPRGKRZSA-N 405.296 1.884 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCN(C(N)=O)C3)C2)C1 1157169904 WHEYBVIBHXBNID-OVCBBOEUSA-N 405.499 1.290 30 10 HDEE Cc1ccc(C(=O)N2CC(CN3CCN(C)CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1159366199 JUQBHJUVRHXCCQ-UHFFFAOYSA-N 413.371 1.614 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N[C@H]2CCCN(O)C2=O)cc1 1159641984 SLADZBQOGHDXCI-HNNXBMFYSA-N 423.491 1.422 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1)C(=O)OC 1161364940 KYWCDMMTAIMVEG-RVKKMQEKSA-N 406.504 1.648 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1167654387 CBXKMBNLDNVVKD-DZGCQCFKSA-N 404.326 1.706 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)Cc3ccccc32)CC1 1171285539 BWYCEDLMVQHYOG-IBGZPJMESA-N 412.534 1.720 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(CC(=O)OC)c2cccnc2)c1 1196245375 RBYAUQATXNRJLU-HXUWFJFHSA-N 417.487 1.754 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](N3CCCC3=O)CC2)C1 1233850324 BSTXLZKWEWCLCM-YESZJQIVSA-N 419.526 1.932 30 10 HDEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1235186816 QDEANLPAHLDTDJ-TWFHAPMSSA-N 417.531 1.950 30 10 HDEE C#CCOc1ccccc1CNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1265224186 VGNJTUOXICQWFR-OAHLLOKOSA-N 404.513 1.916 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286322434 FATODHUDOHKVAT-KURKYZTESA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1286390359 AMLPXSWZSKQLTJ-KRWDZBQOSA-N 400.504 1.611 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)OC(C)(C)C)CC1 1286476671 DAMGZSWTJZBLPU-UHFFFAOYSA-N 413.526 1.564 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCC=C)CC1 1286478803 GFEPVGJYLBTFAB-UHFFFAOYSA-N 414.535 1.680 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286601009 RUZVPISNSVUJCY-INIZCTEOSA-N 401.515 1.971 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286608605 SEYHUDZDRQNUBM-MRXNPFEDSA-N 418.542 1.932 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC2(C)C)CC1 1286646750 VUNMZKAQNHBVLX-JKSUJKDBSA-N 409.556 1.814 30 10 HDEE CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1289436972 SDQPSPSMICEKQX-MEDUHNTESA-N 416.908 1.144 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)n1 1289988011 GIVOMZGJIPDGRP-INIZCTEOSA-N 407.434 1.287 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C[C@H]2CC[C@H]1C2 1290933306 DGOOGJGJQGHYJN-LRQRDZAKSA-N 417.531 1.795 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)ccc21 1296487905 KEPMVJKNLGHJSV-IEBWSBKVSA-N 420.473 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 1297410476 RRVOEAPSPQKMBY-UHFFFAOYSA-N 401.463 1.910 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1299240767 DXANLRORJRMDNU-INIZCTEOSA-N 423.502 1.987 30 10 HDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C(C)(C)C 1299634143 GISLCJXYWZFVIW-UKRRQHHQSA-N 412.560 1.689 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1300459305 RGZPMZIAFHWJEY-KRWDZBQOSA-N 400.504 1.623 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1300469133 ZNLLFABLTFEDFH-KRWDZBQOSA-N 411.506 1.442 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1300880831 LBDONLRYIPXLEK-APWZRJJASA-N 414.510 1.549 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300957298 RUVGDACYGYPYIA-NQIIRXRSSA-N 423.565 1.829 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1301270178 DULUACVKMGBMSO-HXUWFJFHSA-N 404.467 1.745 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncn(C)n1 1301384637 ZGHLLVRWBZXEFN-UHFFFAOYSA-N 403.450 1.949 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 1302423742 FQTJSTSKYCYQEQ-LJQANCHMSA-N 419.459 1.697 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1302442905 ZKPYQKABXSGCEV-QFIPXVFZSA-N 423.521 1.681 30 10 HDEE O=C(c1ccc(Cn2cncn2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893510 XCSQCIDVRAMYFG-UHFFFAOYSA-N 405.414 1.844 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2S(C)(=O)=O)c1 1309840942 KZQDYXLTMKNBQY-UHFFFAOYSA-N 422.528 1.527 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCNC3=O)cc2)CC1 1313208442 RVTRYDIUMOANPO-UHFFFAOYSA-N 405.462 1.515 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1314343816 HWTSOHKAIMPNFA-HXUWFJFHSA-N 416.457 1.782 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2F)CCO1 1316538154 HSRBUPMBYNFNCE-GJZGRUSLSA-N 402.430 1.514 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1319019915 DPPLXQUZQJSISA-GGNAOWBESA-N 406.483 1.713 30 10 HDEE C#CCCCCCC(=O)N1CCC[C@@H](N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1344974442 GGDIPTUTODKESM-YENHRIDLSA-N 402.535 1.805 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358962888 YQWKEHHMDVFVNW-GVDBMIGSSA-N 408.524 1.325 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358967941 WACZDFFZOBGDRE-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCNC(=O)C1 1359292654 VCJOGVFQGWKHGO-MRXNPFEDSA-N 412.494 1.273 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359303579 UKERMHITLXZZBA-FOIQADDNSA-N 417.535 1.617 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC2(CCOCC2)C1 1359330026 DPYHOKIYJMBTGR-UHFFFAOYSA-N 417.535 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cnn(C)c1C 1359333347 VEOSILVFTASAOC-HNNXBMFYSA-N 408.528 1.061 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359340886 DJTRUOQZZFGOFB-CQSZACIVSA-N 408.553 1.668 30 10 HDEE C=C1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1360374097 NKDPAWIXSWWBCJ-UHFFFAOYSA-N 419.503 1.597 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H](O)c2cnn(C)c2)cc1 1441894915 RCQDKECUHFAIMA-VJWQYWRGSA-N 419.507 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1448500190 HOVXKEXYBXLESZ-HXUWFJFHSA-N 423.441 1.397 30 10 HDEE COc1ccnc(OC)c1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455616390 BMKXSCXDKITLKF-NSHDSACASA-N 404.448 1.555 30 10 HDEE N#Cc1cncc(CNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)c1 1456021967 YLYKBDBNJGXDSC-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456224679 VHDISGARPQKXLN-CUYVQJCZSA-N 411.524 1.276 30 10 HDEE CCCC(=O)N1CSC[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004443 VCZQUWBUPNXHLL-HNNXBMFYSA-N 405.476 1.592 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](OCC)[C@H]2SC)s1 1469385914 BUUAIXRYVIRLGO-IOASZLSFSA-N 404.579 1.780 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@](C)(CO)c1cccc(Br)c1 1469510323 VFTKBQXJMLDNTB-OAHLLOKOSA-N 405.314 1.557 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCc4c(F)cc(F)cc43)C2)c(=O)nc1O 1470354944 BRCVDGCRHAOWLT-MRXNPFEDSA-N 401.373 1.743 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360284 FVIDNAQKHCORCZ-AWEZNQCLSA-N 421.498 1.608 30 10 HDEE Cn1c(S)nnc1CCNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1470656315 KVRTXWSXKQSMCB-UHFFFAOYSA-N 405.915 1.703 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)CC1 1471451529 VPNZUBJVBDJYKX-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(I)s2)nn1 1475568583 KYDFSMKSERJMLZ-UHFFFAOYSA-N 424.289 1.999 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1475929493 DFIOWWZVOBRYBU-CABCVRRESA-N 400.460 1.993 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ccsc2C#N)CC1)[C@@H]1COCC12OCCO2 1478796726 GLOJWEAMBLVRPF-KRWDZBQOSA-N 420.535 1.867 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 1479045350 BDWHYRLEZZDUDK-IAGOWNOFSA-N 401.515 1.081 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1504575964 AMNGUFZRBHGPEX-JKSUJKDBSA-N 401.467 1.877 30 10 HDEE C[S@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1505148642 ANAVIRMWFJMTSO-HIJUVRQPSA-N 421.567 1.837 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C)nc2)CC1 1507725854 BPPKAFXDZDBBPD-UHFFFAOYSA-N 404.522 1.647 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1ccnc1C 1507764982 QALJXADRDTYULW-RDTXWAMCSA-N 405.528 1.086 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1507849319 VZVNCUCEVCOJCW-UWJYYQICSA-N 421.542 1.626 30 10 HDEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507866653 IJWISTDHFKPNJY-UHFFFAOYSA-N 408.934 1.500 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1508061749 VUBHRZFDZUPBKU-OAHLLOKOSA-N 403.487 1.210 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1509956557 CILDIUGWZAGHQU-SWLSCSKDSA-N 404.421 1.941 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOc1ncccc1F 1511885166 FZGOUYOXYPSFOK-UHFFFAOYSA-N 408.441 1.793 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)C1CC1 1516591764 HBBHLOIQUSKMAH-NRFANRHFSA-N 411.510 1.569 30 10 HDEE CNc1cc(-n2nc(C)cc2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)ncn1 1519854622 GTWFVGAJNDYCGI-OAHLLOKOSA-N 416.445 1.876 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1524673089 YKBQLYMSVXNESK-STQMWFEESA-N 409.446 1.590 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1 1525698481 FLRXXMLNYSOJBS-UHFFFAOYSA-N 409.464 1.292 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2ccc(C(N)=O)nc2)c1 1525780926 HOVUPYLPUTZHOH-QJOMJCCJSA-N 415.475 1.175 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N(C)CCOCc2ccc(C#N)cc2)c1=O 1534710374 ZZDZXIXIYGDZEF-UHFFFAOYSA-N 420.469 1.730 30 10 HDEE Cc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1C(C)C 1538540056 PTFRXDHMJMSWOV-YWZLYKJASA-N 413.503 1.710 30 10 HDEE C#CCCCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1539065008 ACZJPIPQPSWKNE-SFHVURJKSA-N 421.567 1.590 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H](C)N1CCN(CC)CC1 1539190427 JMRIVYUHRIAKOW-HXUWFJFHSA-N 410.566 1.995 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCSC2)CC1 1539463192 WYMPFSDKNGQFMM-SQNIBIBYSA-N 405.568 1.510 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](F)COC)CC1 1539482085 RBZKOUBJFWPHHI-IAGOWNOFSA-N 407.490 1.122 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539514208 WVFAXJGYZSUWRM-INIZCTEOSA-N 405.549 1.720 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)CC1 1540028574 POLIFYIMPQWFHZ-UHFFFAOYSA-N 404.492 1.835 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1540054110 KTTORSXIUPVSKF-UHFFFAOYSA-N 419.287 1.910 30 10 HDEE CC(=O)N1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1540431524 JFFRVOUWWASTIP-TZQQIIETSA-N 404.511 1.900 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1540874608 MHDBLPXDFOTTPK-UHFFFAOYSA-N 410.478 1.646 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1540875971 CZAPLBKNDBHZOB-DNVCBOLYSA-N 409.556 1.564 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)COC)C1 1540883329 XXYOQAXWQMPFCN-JKSUJKDBSA-N 400.483 1.989 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(C#N)o1 1541916354 GKVQNCXOYUBUDW-TZMCWYRMSA-N 408.484 1.016 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1sc(C)nc1C 1555668807 GTFAEGHGASPCDP-HIFRSBDPSA-N 406.512 1.853 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCSCC1 1555728659 UUZRLEZNEFMGDQ-ULQDDVLXSA-N 408.572 1.647 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCSC3)C2)s1 1557146560 ZLZVXGVLBXHWPX-MRXNPFEDSA-N 402.563 1.489 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1558109883 DEEQHEQXRBVWFB-JKSUJKDBSA-N 416.927 1.316 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2Cc3cccc(C#N)c3C2)C1=O 1559960467 QVCJIZDOSVOXSB-QFIPXVFZSA-N 403.442 1.762 30 10 HDEE COC[C@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(Br)c1 1561854866 HJEJKWOXBOPBSN-KGLIPLIRSA-N 404.286 1.195 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)OCCCC)cc2)CC1 1562187395 CFZLRMCSJFWJMH-UHFFFAOYSA-N 422.507 1.261 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564627938 ITNJQGASFQHWSD-RHSMWYFYSA-N 423.514 1.247 30 10 HDEE COc1cc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)ccc1C#N 1564714507 WNZXSXQZYWTCPE-LJQANCHMSA-N 401.511 1.163 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccs2)c1 1566156239 OTUXNXJDAIJDLA-KRWDZBQOSA-N 402.497 1.858 30 10 HDEE CCC[C@@]1(C(=O)OCC)CCCN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1568429208 PNZASVIRTYBZPS-IBGZPJMESA-N 408.455 1.418 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CCN2CCN(C(C)C)CC2)cc(OC)c1OC 1583889257 YNVHOUPOPMNWGP-QGZVFWFLSA-N 404.511 1.809 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1585139040 QAYJLQJEVGLECC-NHYWBVRUSA-N 401.257 1.527 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=CCS(=O)(=O)C2)CC1 1585535568 ZHAHOKRNMPYZSG-MRXNPFEDSA-N 424.320 1.513 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(-c3nncnn3)cc2)cc1 1586445680 FTEQYXLBOCUYAS-UHFFFAOYSA-N 422.470 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1587551043 YHUYOMIXBWBVAN-HNNXBMFYSA-N 404.515 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1587567648 IGFGZORJGHLKSM-SSKFGXFMSA-N 415.538 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587615181 RSIWIWDDMFJANL-ZFWWWQNUSA-N 411.432 1.400 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1587668141 TWCVRZBNBDQEMW-AWEZNQCLSA-N 416.551 1.890 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@]2(O)CCN(C)C2)c1 1587683164 CVXNWLZBCCFTPA-SBUREZEXSA-N 424.549 1.914 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1588265748 GOGSMYQOTQHXOW-OXQOHEQNSA-N 419.551 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1588659122 DCXDBZJIZOYJCT-QGZVFWFLSA-N 417.535 1.175 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1589708356 JKGIATXOKNLZMV-KUHUBIRLSA-N 423.514 1.701 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(C)C 1615894851 MYANTJCEWJIERY-TYPHKJRUSA-N 400.523 1.795 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C)on1 1619452723 FCACYTJQFKXOCV-MRXNPFEDSA-N 410.434 1.939 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCCN2C)cc1 1622964676 MPYUBVBZYZXJHA-OAQYLSRUSA-N 402.495 1.315 30 10 HDEE CN1C[C@H]2[C@@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[C@H]2C1 1623651929 FIVLCQMRNXLRNR-SXLOBPIMSA-N 416.547 1.415 30 10 HDEE C#CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)OC 1626187970 NFGZZXANUAIDKA-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1627417936 XWAGQGSDESXTJN-AUUYWEPGSA-N 409.483 1.754 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)CC1 1629537185 UTLUFCUCNPFXSG-QGZVFWFLSA-N 406.552 1.227 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1630397024 KQYHGWJQGFETQI-AEFFLSMTSA-N 406.504 1.588 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)N1C(=O)NC2(CCCC2)C1=O 1631330979 PCTWWIXXMDLOGC-CRAIPNDOSA-N 409.490 1.848 30 10 HDEE Cn1cc(C(=O)CCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1632252928 HQUIKDDBMBOXSM-UHFFFAOYSA-N 417.473 1.994 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C(C)(C)C)c2)CC1 1632960521 ISFFLFABAOJPJM-INIZCTEOSA-N 407.536 1.363 30 10 HDEE C=CC1(CC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1633058498 AQQCGWRFFGNHJO-CABCVRRESA-N 424.494 1.753 30 10 HDEE C=C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1633691327 IHWXHPJBBVUFBH-OAHLLOKOSA-N 418.471 1.925 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cccc(I)c2N)CC1 1634998642 KOIZLXABIDKHQY-UHFFFAOYSA-N 411.243 1.475 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)cc1 1636280025 YLUGNINPZAOIPW-HNNXBMFYSA-N 404.492 1.937 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1636792769 WAGJVOKLCKHGPK-GDZNZVCISA-N 406.932 1.915 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C1CCN(C)CC1 1639165010 IMGTXKQMJRMYMZ-UHFFFAOYSA-N 405.520 1.306 30 10 HDEE C#CCNC(=O)CN1CCCN(c2nc(C(F)(F)F)c(C(=O)OCC)o2)CC1 1639437269 WFRGZYIGCAKLSR-UHFFFAOYSA-N 402.373 1.132 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1640677933 LZGXUDSLUUAEJG-DYVFJYSZSA-N 415.389 1.735 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@H](CO)[C@@H](CCO)C2)CC1 1640727537 NOMWKAWOCHKGKJ-JKSUJKDBSA-N 414.462 1.472 30 10 HDEE N#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(F)(F)F 1645009839 HRRUYQFGIRZOOF-LURJTMIESA-N 406.205 1.732 30 10 HDEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)N[C@](C)(C#N)C1CC1 1652686127 MUTCGJSNQHXRSA-QGZVFWFLSA-N 419.283 1.843 30 10 HDEE O=C1NC(=O)[C@H](CCC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1653036222 HTISMWLNZOAFHO-XVMARJQXSA-N 423.260 1.604 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1656234537 SJTQQOQNUQWFNS-JTQLQIEISA-N 410.311 1.169 30 10 HDEE C#CCN1CCN(C(=O)Cn2c(-c3ccc(Br)cc3)noc2=O)CC1 1656854694 CFHWUBWVXCJFTB-UHFFFAOYSA-N 405.252 1.043 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1661819707 PACDQEPCOXOAMV-LJQANCHMSA-N 404.488 1.312 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1665797292 TYAAWXKUDIXYBM-CABCVRRESA-N 420.528 1.440 30 10 HDEE C=CC[C@@H](CO)CNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1670277514 GCCFDHHGBJYJNZ-GFCCVEGCSA-N 411.405 1.994 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC(=O)N(C)OCC(F)(F)F)CC2)c1C#N 1682872020 ZARKNTMQJXLOPR-UHFFFAOYSA-N 420.417 1.107 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCc4c(cccc4C(N)=O)C3)C2=O)cc1 1686084122 HXFVWJBJAQLIGZ-HXUWFJFHSA-N 417.469 1.920 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1689875664 YZRSYKBNKHFHLX-HUUCEWRRSA-N 420.543 1.162 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689998262 HGUSQNHVZOYYLF-ZWKOTPCHSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCC 1690005049 PVIRNQRHFYEENW-UHFFFAOYSA-N 403.284 1.635 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCC(=O)NC(C)C)CC1 1690132623 UHIRZXGLTFERKM-UHFFFAOYSA-N 424.549 1.835 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690493833 UCVQPMQCTKQRDE-SFHVURJKSA-N 404.559 1.914 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O)C1CC1 1690539825 NTQFYEQLZFMZNN-UHFFFAOYSA-N 424.548 1.548 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1cnc(C(C)C)nc1 1690668819 KLPJUBKIJGDZRZ-UHFFFAOYSA-N 407.482 1.587 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1690700844 YQCHRUHOJRZYEV-MOPGFXCFSA-N 418.586 1.589 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1698303743 WWKBRRQDVDONMO-IBGZPJMESA-N 420.514 1.921 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(O)cc2)CCO1 1698492280 DIRVHAGLUSDLNF-MRXNPFEDSA-N 424.486 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1705500063 FORSAEDCCQYMBO-ZDUSSCGKSA-N 414.491 1.910 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705516502 CQBVSOUFBOYPFF-ZWKOTPCHSA-N 401.511 1.413 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCCC1 1705581192 VHEZAKUTCHHOPM-UHFFFAOYSA-N 408.506 1.953 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC[C@H]1C 1705624143 RLPNOGKCFWVKQD-MRXNPFEDSA-N 418.929 1.800 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCOC[C@H]2OC)CC1 1705640878 JNNGHWMZCIBVAL-FGZHOGPDSA-N 423.561 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2nccs2)CC1 1705650761 XWIBVWDURYHTMX-UHFFFAOYSA-N 421.530 1.735 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCOCC2)CC1 1705784214 MAQSCWPVXDKPAP-UHFFFAOYSA-N 416.526 1.085 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705821204 OGXVJMOWGTZEKE-QGZVFWFLSA-N 409.494 1.703 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1705835055 YTGIWJHRKGSLTF-CYBMUJFWSA-N 409.560 1.417 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2CC(OCC)C2)CC1 1722166844 FNOKIZGROCAYSX-JQQJYQBTSA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1722279683 UGTFRNNDHJTVHY-GJZGRUSLSA-N 421.571 1.555 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)Cc1ccccc1 1722302077 PEXGFWNSJYEAPJ-QGZVFWFLSA-N 408.506 1.517 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1722342098 RTWPDJYCVTULNS-IBGZPJMESA-N 410.522 1.895 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722359990 YSYCUGPZSBPSNR-KRWDZBQOSA-N 401.536 1.840 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1722530503 UVKJGOQAPSPQPE-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722728585 RURZKFKHUKAZBR-INIZCTEOSA-N 411.572 1.430 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1722743161 SMJPAWHYLZZQKB-UHFFFAOYSA-N 422.555 1.598 30 10 HDEE CC(C)NC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1723646475 AQPXISIWWXUNMQ-PBHICJAKSA-N 412.450 1.044 30 10 HDEE Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1725008354 LECAXDNLULWTSU-SJCJKPOMSA-N 410.475 1.588 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740574543 LRKCPXXSUIBDET-KXBFYZLASA-N 421.523 1.015 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740595050 KPDQIDCDEPHYBL-UHFFFAOYSA-N 424.549 1.789 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1740616486 BRRYCSQYJFROKP-DOTOQJQBSA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740620324 VSHJHHNJVYDQKP-DLBZAZTESA-N 416.503 1.818 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740639459 UXRNKNWULNFUQK-SSEXGKCCSA-N 420.498 1.578 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1740671644 LKDVRTYFXHOHCV-MRXNPFEDSA-N 420.510 1.974 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CC=CCC1 1740678148 CCMTWSNTJZMSHN-UHFFFAOYSA-N 409.494 1.273 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740876424 RWISQKYCGQXXKC-RBUKOAKNSA-N 416.570 1.881 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1740946793 HNWMTUIUBXZNON-HNNXBMFYSA-N 407.540 1.348 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1740959682 CMSBAXYMFJCQLO-KGLIPLIRSA-N 404.496 1.119 30 10 HDEE Cc1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1742756322 UJTWTQWWGWUVAY-VHEBQXMUSA-N 410.434 1.478 30 10 HDEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1745387337 JMHLSTCECOOXFK-GOSISDBHSA-N 412.494 1.870 30 10 HDEE CCO[C@]1(c2nnc(N(C)CCn3cccn3)n2Cc2ccc(C#N)o2)CCOC1 1746664756 KHFFKEZBGMEYGH-HXUWFJFHSA-N 411.466 1.776 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cs1 1748375118 AJVYRNUNOKNGBO-KWCYVHTRSA-N 417.495 1.170 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCC(C)(C)O)c1 1748692432 HJJLGZRSFDPNAK-QGZVFWFLSA-N 411.506 1.999 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCC 1748784352 KTKMTORUXQHNIK-LJQANCHMSA-N 404.540 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CC=CCC1 1748964253 AWZPHCKPBOUZRF-UHFFFAOYSA-N 400.552 1.982 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749303751 OJARJYXLDQCWMU-KRWDZBQOSA-N 417.535 1.895 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749427863 VOCMNDPYBKGWEY-AEFFLSMTSA-N 418.567 1.949 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 1749456590 ILNNCGYXKJEISB-CABCVRRESA-N 418.523 1.856 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O)C1CC1 1749515878 HPEHHYCLRSMDKS-UHFFFAOYSA-N 421.505 1.873 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)CCO1 1750389210 XIMQCTRZWLJLRU-ZWKOTPCHSA-N 410.478 1.217 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)CCOC1 1751025667 GHMSPISTZNPXLD-XLIONFOSSA-N 403.483 1.394 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CCn1cc(Br)cn1 1760164143 KXMNBSFRUXDFDQ-CYBMUJFWSA-N 411.304 1.731 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187978 MKGCWZCTBAIWBX-HZPDHXFCSA-N 405.524 1.046 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1760224917 CSSSOGYNIZULFA-RYUDHWBXSA-N 411.450 1.315 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760345200 NADRVSZGZGELKH-KRWDZBQOSA-N 409.494 1.231 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1760377773 MYPCLFHUVXGWHX-UHFFFAOYSA-N 410.931 1.681 30 10 HDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)C1CC1 1760472406 JCUQISJBSBTKBF-UHFFFAOYSA-N 400.508 1.863 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1760489806 KLNRTDMZMQZQRF-SFHVURJKSA-N 402.543 1.661 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(OCC)n2)CC1 1760513605 OBTJYWNEWPDZIM-UHFFFAOYSA-N 411.510 1.707 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCS(=O)CC1 1760528047 QNDXUVRPDAFVMA-UHFFFAOYSA-N 417.535 1.290 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760565655 BYEXWXKQZMBKJN-OAHLLOKOSA-N 406.556 1.869 30 10 HDEE Cc1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762607566 SKTMEHUFFKAODQ-VXPUYCOJSA-N 407.478 1.569 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)OC 1763221452 DYHQVKVBRHOZIA-KRWDZBQOSA-N 412.494 1.869 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CC#N 1766701390 GWFZSOYNIDTIQH-HZPDHXFCSA-N 412.560 1.930 30 10 HDEE COCC(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1769157110 AZQUZZQPYRPCHO-QGZVFWFLSA-N 414.466 1.374 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ncc(Cl)n1C 1769325093 GIYLEOFQNAGZGQ-UHFFFAOYSA-N 412.885 1.976 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1770043497 HFKOYPYCQLKYOD-PSBWJHGTSA-N 418.542 1.604 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)CC1 1770754230 CZMILEUPOQQEKQ-KRWDZBQOSA-N 402.499 1.336 30 10 HDEE O=C1C=C(NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CCC1 1851242326 LNWAFRAKQNIOHH-FQEVSTJZSA-N 415.515 1.563 30 10 HDEE CCCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)n[nH]2)c1C 1851631039 TWNTZVMUPWHPLQ-UHFFFAOYSA-N 419.493 1.924 30 10 HDEE Cc1nc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nn1-c1ccc(Cl)cc1 1851643207 HLPTYEPKUYOCHX-UHFFFAOYSA-N 408.853 1.853 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CC[C@H](NS(C)(=O)=O)C2)c2ccccc21 1852129217 JGCHMNUSMRCWBC-HNNXBMFYSA-N 406.508 1.224 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(C)c4)n3[nH]2)CC1=O 1852237261 LNVZRTYASVYVIZ-JKSUJKDBSA-N 420.473 1.968 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1853117339 LQVCJMUVZYUVTJ-QGZVFWFLSA-N 402.520 1.411 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1853436508 DFSCAHHYLKYUMD-SFHVURJKSA-N 407.478 1.783 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C[C@H]4CCCO4)C3=O)CC2)CC1 1853733330 VCSGBLQDBAHFIC-MOPGFXCFSA-N 416.522 1.157 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(COc3cccc(C#N)n3)CC2)CCC1=O 1854426473 XPOZJGXBAATAQG-SFHVURJKSA-N 414.506 1.846 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4)C3)C2=O)CC1=O 1854884234 VGSAKFPMBRDSOH-QFBILLFUSA-N 412.490 1.087 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nnn(C)c2C(F)F)CCN1Cc1ccc(C#N)cc1F 1855057152 KTIHKQKXFGXBEN-JTQLQIEISA-N 406.368 1.637 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cn2cncn2)CC1 1855572298 BPNWAPBSEGMGDE-UHFFFAOYSA-N 415.475 1.125 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCCc4nc(OC)ccc43)CC2=O)CC1=O 1855610867 JRTPQLNKFNUINK-JKSUJKDBSA-N 412.490 1.252 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)CC1=O 1855759155 QWMRDZRICRJIDO-MRXNPFEDSA-N 421.519 1.095 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)c1 1855942010 PHQUSIRCJUOVLG-HXUWFJFHSA-N 404.474 1.692 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)c2nccc(N3CCOCC3)n2)c2ccccc21 1856953508 XMLJDLBIXLCNNZ-UHFFFAOYSA-N 406.446 1.610 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)C1 1856959909 FKWPCMOXMJULSL-ROUUACIJSA-N 404.511 1.856 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(N(C)C)ccn2)C1)[C@@H]1CCN(C)C1=O 1857046451 SFBWJWAWWKOFQO-QFBILLFUSA-N 413.522 1.245 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857119814 IOCNBWRLDLHALC-MRXNPFEDSA-N 409.446 1.644 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857240109 JSYYZHUKARYCNR-QFBILLFUSA-N 401.482 1.852 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857264509 NZXMLZVVDZIDBS-MAUKXSAKSA-N 403.910 1.976 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CC[C@@H](N4CCC(CC#N)CC4)C3=O)cc2)C1=O 1857354661 UNRXXWMUYXFGKU-LJQANCHMSA-N 409.490 1.925 30 10 HDEE O=C(O)[C@H](CS)NS(=O)(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1859455763 GKSSUDQFSRDZDH-HNNXBMFYSA-N 420.468 1.144 30 10 HDEE COc1ccc(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 1860723525 UEDQANIGZBRTBL-LFYBBSHMSA-N 402.428 1.741 30 10 HDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c(O)c2)cc1F 1862637567 HAAZACISTYPYMA-QGZVFWFLSA-N 403.362 1.816 30 10 HDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC[C@@H](CO)C2)CC1 1868783649 SOQXYYXPGUCYLW-WBVHZDCISA-N 404.536 1.372 30 10 HDEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 1869929164 ASXMIDBFOKHBHK-KDOFPFPSSA-N 406.552 1.692 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCc1cnc[nH]1 1870683065 RSCWUAFKAODKID-UHFFFAOYSA-N 413.522 1.893 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccncc1 1874430893 CNRVRYJWCWVAOA-SSDVNMTOSA-N 409.475 1.922 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCC(=NO)CC1 2046025443 JGKUXBCURDLNSU-PQJIZZRHSA-N 411.455 1.703 30 10 HDEE CC[C@@H](C#N)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2089783644 YWTSWODWZPIHKT-INIZCTEOSA-N 418.519 1.312 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2118172497 WBOHLGUVRKANBY-YDZRNGNQSA-N 418.519 1.856 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2141606233 GRTCJBZZVZIAHI-QRWLVFNGSA-N 422.478 1.455 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCCO1 2174788470 FSTZUCBYEAPLON-GJZGRUSLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174789603 SJTJLXAZRCFSGM-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(NS(=O)(=O)N3CC[C@H](C#N)C3)CCC[C@@]2(F)C1 2182450139 JNLAQSDDGLTALJ-XYPHTWIQSA-N 402.492 1.548 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243392385 HXWMDIMRUOQMFU-UHFFFAOYSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247680050 QMYYQIDOVMJCEP-GJZGRUSLSA-N 419.331 1.845 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cncc(Cl)c3)s[nH]2)OC1(C)C 2268781108 WJZUVGGHFINDDS-UHFFFAOYSA-N 402.694 1.108 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@H](O)[C@@H]3CF)sc2Cl)OC1(C)C 2281967709 QTRGTPXJQKRYLZ-JBLDHEPKSA-N 405.684 1.216 30 10 HDEE COC1(CF)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282305108 UAPHECQNRMMRQV-UHFFFAOYSA-N 405.322 1.715 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312069 QMIQOJSQZVKNOZ-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[S@](=O)CC1 2282321504 XYBOTPDGWYWAEM-VWLOTQADSA-N 419.399 1.499 30 10 HDEE COC[C@]1(C)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282408071 FKLSSDABKDUYNA-KRWDZBQOSA-N 401.359 1.988 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CNC1 2282497479 QFTFEBWKEPNPLJ-UHFFFAOYSA-N 400.737 1.527 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N=[S@](C)(=O)N2CCOCC2)OC1(C)C 2282678707 QBSCPNIAEOKWGE-SANMLTNESA-N 400.331 1.533 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCC(=O)O)c(Cl)c2)OC1(C)C 2282830858 ANDVLRRGAPAPTE-UHFFFAOYSA-N 403.693 1.782 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)NC[C@H]1C 2282834266 RFYBCDDDNFNKAI-NWDGAFQWSA-N 400.375 1.727 30 10 HDEE CO[C@H]1C=CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838395 NZCJKPAVTBDYEE-LBPRGKRZSA-N 400.331 1.159 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@H](O)C(F)(F)C2)OC1(C)C 2282842819 DHTJMZJYRRFIEG-NSHDSACASA-N 409.285 1.189 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](CO)C3CCC3)c2)OC1(C)C 2282856749 XNBKPRMYIPKWCI-CYBMUJFWSA-N 401.359 1.734 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282866663 NETOCSOOUGTQQN-FTJNGKRUSA-N 421.777 1.685 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1N 2282866718 NXRVLCXAUHUODU-LALPHHSUSA-N 400.375 1.794 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@](C)(=O)CCC(=O)O)OC1(C)C 2284401703 JQBRUHAQOIJZTE-VWLOTQADSA-N 423.343 1.309 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284413134 HCKDIVJOZJRRFJ-KOLCDFICSA-N 407.294 1.445 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)Nc3ncc(C(=O)O)o3)c2)OC1(C)C 2284417946 RYJJVWKJEPMDTQ-UHFFFAOYSA-N 400.243 1.534 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCCn1cc(CNC(=O)OC(C)(C)C)nn1 2287079913 OOGGOSZYMURWOL-ZDUSSCGKSA-N 400.505 1.018 30 10 HDEE C[C@@H]1CCN(CCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2290361634 LJJYLRXCRFQFHP-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCCO)C(=O)[C@]12C 2297591296 JMPDRRXDKWDBFQ-OAQYLSRUSA-N 401.415 1.541 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2300273227 DHONKGFXYWJUHT-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CN(C(=O)OCc2ccccc2)C1 2317414577 AMKVCSABMUKCRO-QGZVFWFLSA-N 408.520 1.175 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@]2(NCC#CBr)C(=O)O 2324778758 FLCABAUHCZGUNE-FBBPANFNSA-N 417.300 1.705 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363526912 NCKGLYWIWVQSOI-ZBFHGGJFSA-N 413.565 1.801 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N3CCC4(CC3)OCCO4)cc2F)OC1(C)C 2364933180 QGBOVPIYWDYFDY-UHFFFAOYSA-N 407.247 1.810 30 10 HDEE CC[C@@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172408 YOLDCKAVHWLKKJ-MOPGFXCFSA-N 401.525 1.923 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H](CC)CNC(=O)OC(C)(C)C 2365208869 FAXQWCPRTVEMOU-OAGGEKHMSA-N 404.573 1.703 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2365212079 QHUFWSQFMHMBMM-HZPDHXFCSA-N 401.573 1.390 30 10 HDEE Cn1cc(C#C[C@@H](OCCCN)c2ncc(I)s2)cn1 2366049423 WEURFYCZYWUWOV-LLVKDONJSA-N 402.261 1.939 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367791599 JWZVDKLYEYXDRM-CVEARBPZSA-N 400.541 1.462 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367827072 DNDCOKLDJXPXNJ-QAPCUYQASA-N 402.557 1.553 30 10 HDEE CCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@H](O)c1ncc(I)s1 2368333859 YWTIITMRKQJYOV-UYNYGYNWSA-N 404.273 1.655 30 10 HDEE COc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 17069823 SNGOWUOQRZQELV-UHFFFAOYSA-N 414.487 1.783 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C#N)c1C 29363774 NNWHGRZIXNDUHA-UHFFFAOYSA-N 402.436 1.384 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cc(OC)ccc2OC)C2CC2)C1=O 53270333 MYGOOYNTCKEVMA-UHFFFAOYSA-N 401.419 1.172 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNC(=O)Cn2cnc3ccccc3c2=O)c1 90731944 HJEMKGZQSOVYAM-UHFFFAOYSA-N 404.426 1.554 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)nc2n1 109941255 HKDPURMOPYFGKV-HNNXBMFYSA-N 407.459 1.767 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(Oc2ccc(F)cc2F)CC1 409564029 VIALLRKTBPQVFJ-UHFFFAOYSA-N 403.451 1.915 30 10 HDEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 409806576 UJEZFVCDPYBOTK-AWEZNQCLSA-N 414.466 1.983 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OCCOC)CC1 446879177 KMNZRGUFMBCLPK-UHFFFAOYSA-N 404.511 1.150 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461304783 ZQBFTPZAYLTFDL-XCLFUZPHSA-N 407.434 1.578 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 470498497 XAADKIOWQFUMOX-UHFFFAOYSA-N 402.461 1.926 30 10 HDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N(Cc2ccc(C#N)cc2)C2CC2)CC1 480520688 FOSIPXMGCFAOFQ-UHFFFAOYSA-N 411.549 1.524 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@@H]1CCCO1 482561416 RPHZUJLDRMCKJV-ZDUSSCGKSA-N 413.524 1.750 30 10 HDEE CC(C)c1nnc2c(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nccn12 489351159 JSSXUELVBAFRNO-UHFFFAOYSA-N 411.491 1.630 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502024272 QHXKALKYHPIXFZ-VQTJNVASSA-N 424.526 1.744 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 504077911 SVDMYXKPIZNRDO-UHFFFAOYSA-N 411.549 1.239 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)CC1 505013262 JTVPMSQDGZMLLU-UHFFFAOYSA-N 408.455 1.456 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 508199074 HMFHPPDRSGQWTE-UHFFFAOYSA-N 406.508 1.535 30 10 HDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508958746 BTLVSEAIRXGAJW-HNNXBMFYSA-N 406.508 1.923 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)cn1C 511428770 YVDZGQUDDZXGFW-UHFFFAOYSA-N 420.466 1.628 30 10 HDEE Cc1cc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1[N+](=O)[O-] 514862346 ZBQXDZAKXSHUAM-UHFFFAOYSA-N 408.418 1.249 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 515254324 AOSFJTNUFHVWFE-MRXNPFEDSA-N 403.508 1.966 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Oc3cnccn3)cc2)c1=O 524749258 DOYHVNRJOGNZEI-UHFFFAOYSA-N 418.478 1.901 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 525266038 COWCYILBOOYLIA-HNNXBMFYSA-N 411.483 1.672 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C[C@@H](C)C#N)C3CC3)cc2)CC1 533141644 BTJGFZRDLZPEFH-HNNXBMFYSA-N 418.519 1.304 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)C1=O 537170896 DDEGETOPSDRURR-CQSZACIVSA-N 402.426 1.008 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)C1=O 537996122 RRVQOXWKMMXNRS-UHFFFAOYSA-N 402.410 1.818 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(Cc3nccn3C(F)F)CC2)CC1 538148575 YMDFJSZMDFBGCQ-QGZVFWFLSA-N 423.512 1.088 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1cccc(C)c1 538496394 HRJBBCMIBWSEQX-UHFFFAOYSA-N 420.494 1.169 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCN(c2ccc(F)cc2)CC1 546904348 VTNGKAMKZWZTLB-SFHVURJKSA-N 422.508 1.952 30 10 HDEE CCN(CCC#N)C(=O)CN1CCN(CC(=O)N(CC)CCC#N)[C@@H]2CCCC[C@H]21 550091733 ZVUPPDYZTGWHPQ-WOJBJXKFSA-N 416.570 1.440 30 10 HDEE COc1c(F)cc(CC(=O)NC2(c3cccc(C#N)c3)CC2)cc1S(N)(=O)=O 552816451 QVKFMHLXMSBNQA-UHFFFAOYSA-N 403.435 1.701 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 553980798 VTUHQBOSPPJSNK-RTBURBONSA-N 404.470 1.683 30 10 HDEE COc1cc(CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)ccc1C#N 576395500 JHEPNMGIEFNAQR-UHFFFAOYSA-N 400.464 1.979 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 581566069 TYTLGTNWSAMFDX-UHFFFAOYSA-N 416.341 1.199 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@H]1n1cccn1 581748888 VJGJCRHNNVXQBF-RCCFBDPRSA-N 417.491 1.224 30 10 HDEE C=C1CCN(C(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 594846482 TZINQXKEUVALCH-UHFFFAOYSA-N 415.309 1.981 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)CC1 610849219 QUIWWCVDJVHXEJ-LJQANCHMSA-N 416.522 1.556 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccc(OC)cc1OC 619497302 FDNGNAMKZWZOMK-SFHVURJKSA-N 404.444 1.962 30 10 HDEE COCC(COC)S(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 688574672 KSKZYZPIBUVINE-UHFFFAOYSA-N 405.347 1.128 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1sccc1S(=O)(=O)C(F)F 731134872 APIXBDQIAWUPRZ-UHFFFAOYSA-N 420.440 1.876 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(NC(=O)c2ccncc2)c1 735851761 DQVQDTHQKYVUFX-XDOYNYLZSA-N 419.441 1.867 30 10 HDEE C[C@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 745050978 RSQDVQVNLONDAQ-VIFPVBQESA-N 404.448 1.309 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 750431750 YGJPPTLNJNMBBG-UHFFFAOYSA-N 419.481 1.923 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ncccc2Cl)C1 757694659 XNBLFDFFRIDYQL-JTFSYWPOSA-N 404.858 1.139 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400765 OOEPYWOYMIHLHN-UHFFFAOYSA-N 417.509 1.372 30 10 HDEE Cc1cnc(N)c(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 773230051 AIOAVJKQQVCDDI-PGMHBOJBSA-N 423.520 1.586 30 10 HDEE COC(=O)C1CCN(C(=O)[C@@H](OC(=O)[C@@H](O)c2ccc(C#N)cc2)C(C)C)CC1 780213971 JVMPSWVBOKPARE-ROUUACIJSA-N 402.447 1.571 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780983056 KPGBWIADDQYGQQ-JOCHJYFZSA-N 422.485 1.773 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780984032 KLPIGFSHJQZVMT-JOCHJYFZSA-N 407.470 1.958 30 10 HDEE C[C@H](OC(=O)[C@@H]1COCCN1CC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 786943665 BRUJKEVURLZEOX-GWCFXTLKSA-N 413.446 1.945 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(N(C)C(C)=O)cc2)n1 788695066 CBPYHWSHRXVFCM-UHFFFAOYSA-N 404.492 1.336 30 10 HDEE CCCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)cn1 789968546 QSTNQIYEOIVGGU-OAHLLOKOSA-N 400.512 1.914 30 10 HDEE COCC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1ccccc1 790150731 QMWRIMBJVAOJTO-UHFFFAOYSA-N 403.508 1.480 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)[C@H]2CCCOC2)CCCN1C(=O)OC(C)(C)C 791870456 JYXQVKRIVURYMK-KSSFIOAISA-N 402.513 1.957 30 10 HDEE CC[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794298048 ILEMCEBJGUJZBA-QRWLVFNGSA-N 421.519 1.302 30 10 HDEE CCOC(=O)c1cc(CC)sc1NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798745850 WEYKFMAPYFZBQE-SNVBAGLBSA-N 405.436 1.693 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 801292657 DXFVSPPTMMVGQS-UHFFFAOYSA-N 406.446 1.832 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(C)c(C)c2)=NO1)[C@@H]1CCS(=O)(=O)C1 802381779 PUPYKEZYNARUKI-MSOLQXFVSA-N 403.504 1.628 30 10 HDEE C=C(C)C[C@@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 810802683 LFZQWGBLTMZTCK-LLVKDONJSA-N 408.929 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)[C@H](C#N)C1 815754945 HMFXIAFDQIMESL-HUUCEWRRSA-N 400.483 1.689 30 10 HDEE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@@H]1CCN(O)C1=O 816694561 IQJHILWVFHLMCW-QGZVFWFLSA-N 423.425 1.601 30 10 HDEE Cc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1C 838527682 UJSJEQVDMGNGHJ-UHFFFAOYSA-N 408.527 1.194 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 917799310 NBDZZWPHFBNZEN-UHFFFAOYSA-N 403.467 1.232 30 10 HDEE CCCCNC(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1083911145 NYJZISXDQWAECH-UHFFFAOYSA-N 423.455 1.882 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1126397383 VKHXFFSDOURJPQ-UHFFFAOYSA-N 406.490 1.764 30 10 HDEE C[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1131906346 CRRXKGWXNVCNGY-LBPRGKRZSA-N 412.450 1.841 30 10 HDEE Cc1c(C(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cnn1CCC#N 1136269898 WEKOXSIWLOSTEW-UHFFFAOYSA-N 404.515 1.778 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)NCC3CCC3)n[nH]2)c1C 1136633809 CCHFOFYYDJIMEC-UHFFFAOYSA-N 420.539 1.525 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1138180898 FEXJPOORJNUSEW-NVXWUHKLSA-N 412.446 1.656 30 10 HDEE COc1cc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)ccc1C#N 1140137985 OJHYAHLQLHCVJA-INIZCTEOSA-N 414.849 1.510 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1141738982 DGRIANYMHJUIHR-QGZVFWFLSA-N 400.522 1.321 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)c1 1141896378 CCDBSVIWFJAELR-LJQANCHMSA-N 409.442 1.352 30 10 HDEE C#CC[C@H](NC(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1141998972 XOBKFOOWWPOKCO-HNNXBMFYSA-N 404.467 1.290 30 10 HDEE C#CCN(CC(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1150248049 XOGBRBORCFLQIC-OAHLLOKOSA-N 413.515 1.543 30 10 HDEE C#CCN1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1150693759 PYMXEEXJRJLTII-UHFFFAOYSA-N 413.337 1.780 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)C2)c(=O)nc1O 1159490689 TZKZDMZXJUHTQX-UHFFFAOYSA-N 421.457 1.324 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)c1 1159676981 ONIWNBWXVLCRQT-UHFFFAOYSA-N 413.496 1.679 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1167530704 CDKNZLFCPBNNOB-UHFFFAOYSA-N 412.490 1.877 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN(CC(F)F)C1CCS(=O)(=O)CC1 1169933526 OULWKVGOLQPEKF-UHFFFAOYSA-N 410.442 1.430 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1195534454 DEKVJEONQXAROV-YZLZLFLDSA-N 415.513 1.474 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)OCC 1213383676 XJINAHSEUNDZSD-LBPRGKRZSA-N 424.928 1.999 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1233929215 ZSWIFIDMFFPWNR-OAHLLOKOSA-N 424.479 1.039 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1ccccc1S(=O)(=O)CC 1265898218 MVFBQOLVJBRXQX-UHFFFAOYSA-N 418.475 1.948 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H](C)N1CCOCC1 1286405018 YQACEEAWKRPKNS-GOSISDBHSA-N 423.517 1.756 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1286410080 RVTMHPKYZACUNV-OAHLLOKOSA-N 417.560 1.881 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1286428279 LJYLXRCQBJFGBO-IBGZPJMESA-N 411.531 1.552 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC(=O)N1CCOCC1 1286466990 PCPMBFWTEMJELG-UHFFFAOYSA-N 411.506 1.122 30 10 HDEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286685375 STKJGHYGBZKFBH-UHFFFAOYSA-N 423.521 1.624 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H](C)C1 1286785260 CSBQYUHGJBYKIQ-ZIAGYGMSSA-N 400.483 1.790 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1286950971 OUXHJKYENRUWEN-AWEZNQCLSA-N 408.470 1.185 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cs1 1290435047 FQTAQLBZUBCJIK-IRXDYDNUSA-N 418.523 1.558 30 10 HDEE CN(CCC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1298640164 MQCFPLACEDCQSN-ZPHPHTNESA-N 408.466 1.498 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1300336716 MOJHOLVVXHETDW-OAQYLSRUSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1300381104 OAGVCZNAVVYTEP-HIFRSBDPSA-N 421.527 1.377 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1 1300577852 CVZKNLBUURRARS-MRXNPFEDSA-N 406.577 1.929 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)N2CCOCC2)CC1 1300693260 VTRZFCYMXCWDJU-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccn(C)n2)CC1 1300719639 KAQYAOQYRURPSJ-UHFFFAOYSA-N 406.494 1.215 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC 1301360295 ZZDVVNOWLZMIMK-UHFFFAOYSA-N 419.536 1.538 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1301452633 VNFLLRPFGWXMTN-ZIAGYGMSSA-N 400.487 1.244 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1301478895 QYBFRMRIGKLLBX-KMCQBPLKSA-N 400.527 1.733 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301484711 LFZPVYMPLGQDAG-CVEARBPZSA-N 408.418 1.233 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)C1 1301558465 VWXRGEHEUHIMHD-MSOLQXFVSA-N 417.535 1.599 30 10 HDEE CC(=O)N1CCN(CCn2c(CCc3ccccc3)nnc2N(C)C[C@@H](C)C#N)CC1 1301769596 CNUAQTMXKMZAFX-IBGZPJMESA-N 423.565 1.823 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1302099288 UHEIHKWTASSLJU-CLCXKQKWSA-N 405.455 1.232 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCc1n[nH]c(C)n1 1302282839 GKJDTHRDFVNPNT-WMZOPIPTSA-N 414.514 1.801 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)NCC12CCOCC2 1303507576 YQFIYQNWGIDZSO-QWHCGFSZSA-N 401.891 1.434 30 10 HDEE Cc1csc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCC#N)CC2CC2)n1 1304628683 DQJAJMXTYWAJBZ-CYBMUJFWSA-N 423.568 1.832 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)cs1 1304653036 UUAMAZBRHMNJDE-GXTWGEPZSA-N 408.553 1.807 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314667875 XGLFPVUBBWKHDK-QZTJIDSGSA-N 401.559 1.894 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2CCCO)CCO1 1316539933 HYNFBXLFSVUMDX-RBUKOAKNSA-N 402.543 1.586 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1OC 1323411203 HYUVVTNXCNZIMF-WGLILOHCSA-N 412.446 1.909 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC(=O)c1cnn2cc(Br)cnc12 1337057693 NDVFETXSFAFRAL-UHFFFAOYSA-N 406.221 1.482 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1358869704 SYWXNAWTNGAGRM-QGZVFWFLSA-N 423.521 1.252 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H](O)C1 1358880749 RXUQIQSPCQGCGM-FCEWJHQRSA-N 406.494 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1358892334 XOZXXEVFGGWWSX-AWEZNQCLSA-N 408.528 1.432 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)COC)CC1 1359129243 WHIRNSVJLQAFHZ-UHFFFAOYSA-N 403.483 1.734 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCCO1 1359302606 NFMJRBJWPHPMTC-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359303833 CCZRHEWZIFEGQB-IAGOWNOFSA-N 400.527 1.719 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1359472701 OYHSCRHKWBIXPT-VYDXJSESSA-N 412.498 1.226 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359661173 DYGBQJDTDPDBSX-TWOQFEAHSA-N 419.505 1.028 30 10 HDEE C#CC1(F)CN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1455277995 ZGANSMKAGCJZSS-HXUWFJFHSA-N 412.458 1.518 30 10 HDEE Cn1nccc1C1(O)CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1455373046 WXYGGNZASNUYNS-UHFFFAOYSA-N 419.279 1.943 30 10 HDEE COC(=O)c1c(NC(=O)CN2CCN(C(=O)CC#N)CC2)sc2c1CC[C@H](C)C2 1460126100 OYMBIOYLDMNQNC-ZDUSSCGKSA-N 418.519 1.656 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 1463243798 RXIDBNXMJNHDDE-GOSISDBHSA-N 407.426 1.593 30 10 HDEE C[C@@H](O)[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1466464745 GVNVTONMDDJCHY-BEFAXECRSA-N 405.520 1.721 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)C(F)(F)F 1468826602 ZBIUBTOVUZDTOD-NHYWBVRUSA-N 421.441 1.713 30 10 HDEE C#CC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1I)C(=O)OC 1468875763 PHMITXMLQLGYRQ-LLVKDONJSA-N 402.144 1.494 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1470159260 BDPFGYHHTKLLLV-UHFFFAOYSA-N 410.496 1.210 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nnnn1C1CC1 1471259148 KHZJXOYOSSPXCO-ZLSHJHNNSA-N 415.498 1.972 30 10 HDEE C=CCCC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1471892817 DEQXORWGNQMQPM-CQSZACIVSA-N 422.425 1.998 30 10 HDEE CCN1[C@@H](C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 1473599778 RPTZAMWHLAAVQP-UEXGIBASSA-N 401.530 1.949 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)c1occc1C 1503117679 JYSPTHPMFUGOSY-OAHLLOKOSA-N 402.455 1.265 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1503802026 PQTDALBERZIGPP-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1504959403 QOPVCJHVYTVIHE-AWEZNQCLSA-N 417.466 1.904 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1507628966 ZCWOXIBMUPHDJU-SFHVURJKSA-N 414.535 1.257 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1CCO[C@@H](C)C1 1507701847 BVTLJHRKKDKLJJ-ROUUACIJSA-N 403.527 1.805 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1nccs1 1507713153 ZAKWLARGYODYNY-UHFFFAOYSA-N 414.491 1.791 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1507728939 BTRHYVFHFAGRIN-AVRDEDQJSA-N 401.555 1.960 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507778188 CFFVJSJQTGRPIT-UHFFFAOYSA-N 406.350 1.793 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1507798300 HAQUYGRNOXWEHJ-BQFCYCMXSA-N 413.526 1.622 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1c1nncn1C 1507965619 PAASMOHHEHMTEY-INIZCTEOSA-N 414.514 1.463 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C1 1510285734 HZXYOFCABUYKGA-JXFKEZNVSA-N 402.499 1.450 30 10 HDEE CCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1514097975 HGMWOCWIRCNWJP-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE CN(C)[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1516981873 WRPKYCIYKGKWPX-QZTJIDSGSA-N 411.466 1.922 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCCS1(=O)=O 1518418629 GDMKZLNBDUFWPM-OAHLLOKOSA-N 418.523 1.585 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1518744634 CDMLNUJLSCJRTC-NVXWUHKLSA-N 400.458 1.893 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Cc2csc(S[C@H](CC)C(N)=O)n2)CC1 1530233912 BWZZXZPOPHGIJV-CQSZACIVSA-N 408.549 1.030 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1534262507 VHSIAWSEMBKOFH-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE COc1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1538301866 NWVYXWLVRFORLQ-AWEZNQCLSA-N 421.397 1.290 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1538977273 VFWFQAKCOBGJHP-YWZLYKJASA-N 401.467 1.411 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1539179768 RPANIPLZTONPCY-QRWLVFNGSA-N 407.515 1.817 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 1539203206 OGCWHASIXHOJAI-DZGCQCFKSA-N 405.528 1.088 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCSCC1 1539232546 HPLNGVZWDHOJQZ-UHFFFAOYSA-N 409.519 1.047 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1539333847 MTPVFKPRKQJAQO-UHFFFAOYSA-N 411.487 1.236 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539955434 XJKKWRJWKVBGCT-MRXNPFEDSA-N 421.509 1.944 30 10 HDEE CC(=O)N1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1540579380 ULFBYMCTMBJTKX-BATSVXPKSA-N 404.511 1.854 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3ncccc3C#N)CC2)n1 1540604608 ZCLVPWHPXMFDQI-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCOCC1 1541103788 GOAOMQXKCUDMER-INIZCTEOSA-N 404.515 1.696 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCNS(C)(=O)=O 1541370271 CAUKFZYGGVMEBC-KRWDZBQOSA-N 418.523 1.400 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1541627815 HRLXFWSUIPJCBT-UHFFFAOYSA-N 417.464 1.728 30 10 HDEE CCOC(=O)[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)=O 1543124001 KFXWMYGWKMFWPR-SEPJKUCUSA-N 423.491 1.596 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1 1545512925 RNSWAASINJTJNL-LJQANCHMSA-N 420.531 1.047 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1547241949 RDXVCOKRAIRZLD-ZDUSSCGKSA-N 401.471 1.518 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1548334405 FTZKQAAUPCGVIS-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N(C)[C@H](C)CC#N 1552401507 DAVPXJSJINXZJH-CQSZACIVSA-N 408.503 1.686 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C)cs1 1555753352 OIZUMPCSRPCXSW-DZKIICNBSA-N 404.496 1.544 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CC3)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1555993122 INJUGXHZRNNTNH-HUUCEWRRSA-N 414.432 1.537 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)C1 1557243600 VTORJMIWVXZSNM-IBGZPJMESA-N 404.474 1.240 30 10 HDEE C#CCN1CCC(NC(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)CC1 1563904689 GWBRZVHGEFYWTC-UHFFFAOYSA-N 412.534 1.626 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)NCC2(C#N)CCOCC2)C1=O 1564260974 FBRRTIOXZMUTGH-CYBMUJFWSA-N 406.464 1.260 30 10 HDEE C#CCN(CC(=O)N[C@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C)C(=O)OC(C)(C)C 1566683789 YVFNKUFFYQHWFI-CYBMUJFWSA-N 417.470 1.928 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(C)C(=O)C1 1570546006 GQLZFGASXACFSK-ZBFHGGJFSA-N 420.535 1.124 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 1570858694 DHBGKAOSQSYLBC-UKRRQHHQSA-N 404.410 1.828 30 10 HDEE COC1([C@H](C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1584140434 UKDVLJXLBJXAGR-YOEHRIQHSA-N 414.462 1.464 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)s1 1586079787 ZRVHOTWDMNJLBL-UHFFFAOYSA-N 416.528 1.949 30 10 HDEE CCO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1588158136 PYQIIZZTDDVNHB-IBGZPJMESA-N 421.519 1.223 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595562223 QSKQOGIASRDSDI-KBPBESRZSA-N 418.479 1.050 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)C1 1595699005 LDAHTTMSHBOLEZ-UHFFFAOYSA-N 419.503 1.734 30 10 HDEE Cc1ccc(C)c(-n2ncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2C)c1 1607490574 YKCYVRVTUMLNNM-UHFFFAOYSA-N 404.430 1.629 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C2(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1608138109 JTOGKGLIDNRZOM-YWMAMYRUSA-N 418.494 1.809 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1)C(=O)OC(C)(C)C 1611571943 DGQRQPBYOOYPLE-AWEZNQCLSA-N 409.508 1.642 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3COC[C@@]3(COc3ccc(C#N)cn3)C2)c(C(F)F)n1 1615066839 LPXRYRHMNLUVMK-ORAYPTAESA-N 403.389 1.792 30 10 HDEE N#C[C@@]12CN(C(=O)CCCc3nc(-c4cccs4)no3)C[C@H]1CS(=O)(=O)C2 1617487948 SSVBFGZLUGJEJN-SJCJKPOMSA-N 406.489 1.518 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1617594480 BMXOUROTFZIOJQ-IRXDYDNUSA-N 407.478 1.010 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1618030216 YTXPIEUTCXRNGT-QGZVFWFLSA-N 403.910 1.735 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cc1 1628057736 NDYWCXOWXJANEN-UHFFFAOYSA-N 424.482 1.701 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2sc(CC(F)(F)F)nc2C)CC1 1628147184 YUMPRJLYOSPWSN-UHFFFAOYSA-N 416.469 1.383 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(NC(C)=O)cc2OC)cc1 1630907264 DUJZWWMRMWCXMO-UHFFFAOYSA-N 401.444 1.817 30 10 HDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)c1ccccc1 1630914458 OXAJLWJKBMOFOH-INIZCTEOSA-N 404.513 1.998 30 10 HDEE N#C[C@@]1(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCCOC1 1632642638 PLRSPCPZDNJEEY-OFNKIYASSA-N 410.518 1.642 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 1633193818 VCEBUDDKOYTEFO-UHFFFAOYSA-N 416.459 1.676 30 10 HDEE CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CC(=O)N(C)C1=O 1633776245 ZQMWIKVAMIKTPO-BBRMVZONSA-N 416.865 1.560 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2cc(C(=O)NCCn3cnc(C#N)n3)ccc2C1 1634935072 DHJYGYBNVZDFLY-UHFFFAOYSA-N 412.450 1.709 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1635204002 SPXTZEIKFKVENW-KSSFIOAISA-N 404.529 1.556 30 10 HDEE C=CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1635640350 GVLDYZLFVCVIAH-UHFFFAOYSA-N 409.508 1.150 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H](Cc3cccnc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1637921652 CNZXTAQJMKJCIS-NLWGTHIKSA-N 402.520 1.763 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1638134562 HXMDOWHETFYDFV-JYJNAYRXSA-N 404.511 1.698 30 10 HDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1639493597 POZRJBJKKNUOAV-CYBMUJFWSA-N 412.361 1.135 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(c1nccn1C)c1nccn1C 1640738288 SSUKCISZETWFJQ-CQSZACIVSA-N 400.483 1.666 30 10 HDEE C[C@H](C#N)N(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC1 1640987414 XEYNGZLTDVPJFC-RRCSTGOVSA-N 411.524 1.560 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(Br)cc1 1641518702 YIOZPIHEUCXICE-CQSZACIVSA-N 400.298 1.155 30 10 HDEE CN1CC[C@]2(CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)C1 1645749862 GLKXETLTQKLIJG-WIYYLYMNSA-N 401.580 1.875 30 10 HDEE C[C@@]12CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@]1(C)C(=O)NC2=O 1647992899 CDJDASZLPQVZJF-BGYRXZFFSA-N 400.504 1.812 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1648535710 YINKSWUKONQCBR-IUODEOHRSA-N 418.519 1.389 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]2CC(=O)OC)s1 1648978434 RDNJXGITOMOKSQ-GXTWGEPZSA-N 400.522 1.603 30 10 HDEE C=CC[S@@](=O)(=NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 1653396776 MHQNJQVMKRJTEM-XBBWARJSSA-N 419.547 1.939 30 10 HDEE CC(C)(COCc1ccccc1)NC(=O)NCCN1CCN(C(=O)CC#N)CC1 1653645578 HHHZEOSFUWTYFO-UHFFFAOYSA-N 401.511 1.339 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1cccc(Cl)c1 1653760288 UKJYRZCKDZUZDZ-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE C#CCC1(O)CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 1654620469 WXOKGGMIMAQPSK-UHFFFAOYSA-N 408.296 1.354 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1655670541 WMJNJUXUYMGUOZ-CQSZACIVSA-N 402.438 1.682 30 10 HDEE Cc1nc(C#N)cc(N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)n1 1655789308 FEYNLCPGEMTNSS-XHSDSOJGSA-N 414.466 1.676 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1656234850 WTEWQLHANWYADF-OAHLLOKOSA-N 400.522 1.178 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C 1661361921 CFXHTTLWQMDHCZ-OAHLLOKOSA-N 417.443 1.720 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)cn1 1663023747 MGZATNOMOXNYNI-UHFFFAOYSA-N 407.395 1.288 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1663316603 UWDLQLSHHDQPLN-FGTMMUONSA-N 412.508 1.269 30 10 HDEE CCN(CC)C(=O)CN1CCC(NS(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 1664162665 BCXFUEJWSHLNFB-UHFFFAOYSA-N 414.478 1.448 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(-c3ccccc3)c2)CC1 1671155512 YSUVSZKHKCNHIM-UHFFFAOYSA-N 419.528 1.128 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3nn(C)cc3Br)CC2)c1C#N 1672873027 TWZFQFRIDISWMV-UHFFFAOYSA-N 424.328 1.851 30 10 HDEE CCON(C)C(=O)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1674152967 ABONRQBHLWLMKZ-UHFFFAOYSA-N 413.482 1.276 30 10 HDEE C#C[C@@H](NC(=O)N(CCCN1CCOCC1)Cc1ccncc1)C1CCOCC1 1684187696 ALIUTYQBPZBLIZ-OAQYLSRUSA-N 400.523 1.744 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1684424700 CVFBYPWMABGATL-SFHVURJKSA-N 401.511 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1689824780 WZQRIVIASJMCOI-INIZCTEOSA-N 408.506 1.722 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1689825820 CZIPPOHFVJUYBI-ZIAGYGMSSA-N 418.523 1.353 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689885558 MOPJZKZZUGDBIK-UHFFFAOYSA-N 419.555 1.342 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1690170000 VVHZIQSKHCMXPU-AWEZNQCLSA-N 401.496 1.378 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCOC2)C1 1690228073 MRRBMHJFWOYEHH-BLLLJJGKSA-N 412.288 1.134 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690472371 MGTXWEIFABLJAT-ARFHVFGLSA-N 413.544 1.239 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC(C)(OC)C1 1690661762 GLGHGCJLPYWFCD-UHFFFAOYSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690667814 JCJBEGZOYQAXER-JOCHJYFZSA-N 424.480 1.823 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690671055 OGXZQUPUGCCKEP-HZMVEIRTSA-N 421.567 1.497 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1690673123 OTXQZBXYNRIBGW-CQSZACIVSA-N 402.474 1.129 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCn2nc(C)nc2C1 1690676149 RHLVFXFQMFNPMH-UHFFFAOYSA-N 422.493 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1C(C)C 1690713948 AFXZCWMBCRTYGQ-INIZCTEOSA-N 409.556 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690723304 NEEKYDXFDOSYRP-LJQANCHMSA-N 410.540 1.531 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1693845048 COZQGIDCUKTUJT-QINHECLXSA-N 419.505 1.172 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1694325825 FHABYIIAIWBJJD-JYRCXFKTSA-N 410.519 1.550 30 10 HDEE CCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1696176154 GBHCHUJJJZZAKB-ZBFHGGJFSA-N 418.523 1.761 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@@H](O)C1 1705550866 ZPINUSHXXCULOO-JKSUJKDBSA-N 416.551 1.859 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1705579285 RPINCOMIGWHCHW-UHFFFAOYSA-N 424.505 1.650 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1705582446 BEMXGJVJRXJZRP-MRXNPFEDSA-N 401.492 1.101 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2COc3ccccc3O2)n1 1705631896 RVQPNURIEJYTQY-LJQANCHMSA-N 422.489 1.909 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1705639432 NWSSXFXWSFDLNL-RTWAWAEBSA-N 409.534 1.795 30 10 HDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705818006 YAHLCSWRKWAEHD-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@@H]1C 1705836904 KDLULFIXWIFNMV-INIZCTEOSA-N 419.551 1.692 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1)C1CC1 1705848104 NAYSIRFZVVAVJE-UHFFFAOYSA-N 402.543 1.780 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)C1 1705917296 VWHVHYHQCFSOCZ-BZUAXINKSA-N 413.544 1.239 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)C1 1705924701 FUKWIZDNQXNSPG-DLBZAZTESA-N 419.526 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCOCC1 1705931510 RPVGTWQPGHAMHJ-UHFFFAOYSA-N 421.479 1.681 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1705932846 LNYYSQQXNPDIJC-CQSZACIVSA-N 421.910 1.928 30 10 HDEE CC1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706946072 NUDNDTRZSYWOCD-UHHPSXQGSA-N 414.510 1.935 30 10 HDEE CCOC1CC(O)(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)C1 1710605310 FMNKNPQKXVKPMA-FNMUINPESA-N 401.515 1.666 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1710988652 FXKXMVXEGFXVHD-UHFFFAOYSA-N 410.478 1.576 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1CCCn1cnnn1 1711085551 KXODUCXHPQKHJD-UHFFFAOYSA-N 400.450 1.925 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)[C@@H]1COC[C@@H]12 1719149656 HATFABHNNBPWIW-OBKDMQGPSA-N 400.519 1.823 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1722275528 DYCDNOYTDVKIRV-PGRDOPGGSA-N 419.570 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1722299624 REJMOUKSQWSNDQ-SFHVURJKSA-N 419.533 1.957 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722368734 VNVRVSLXGUMUFF-MOPGFXCFSA-N 421.611 1.979 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1722409984 LXRMVWJHQVLJBL-UHFFFAOYSA-N 412.519 1.731 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2cnnn2C)CC1 1722431224 NEOLJEGPWSIYIF-INIZCTEOSA-N 424.484 1.489 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCOCCS(C)(=O)=O 1722472231 HCYANAALXJTPOJ-HXUWFJFHSA-N 417.535 1.317 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)CC1 1722579803 KFGCEKVLFWCOEE-UHFFFAOYSA-N 416.551 1.702 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722603736 MIAACEBFVIUMFR-BTYIYWSLSA-N 416.526 1.953 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722862311 BICRKHAOLIGMQB-UONOGXRCSA-N 418.523 1.563 30 10 HDEE CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727256899 GZFLKURUWKOJIN-QGZVFWFLSA-N 419.493 1.753 30 10 HDEE CCOCc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1728967545 DKLYCEGLFFNKKC-SFHVURJKSA-N 412.494 1.730 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1730818613 GTCXIARXLVGPAT-XHSDSOJGSA-N 413.544 1.423 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740637795 HYWVQTBAXMQAOV-JKSUJKDBSA-N 411.428 1.118 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1740668166 FRELCDRBVUGOEM-FQEVSTJZSA-N 410.503 1.921 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740709094 JITVSZQCOHRPOS-AWEZNQCLSA-N 404.540 1.679 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1740719976 NWVMZUAWBHOJGN-QGZVFWFLSA-N 413.547 1.933 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740735907 AQDKJAKDWUEMHE-KBPBESRZSA-N 411.348 1.998 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1740874028 LKOJOAHRTQCTAF-QGZVFWFLSA-N 404.559 1.990 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1741991624 LWXITOKADKDCAJ-UWJYYQICSA-N 410.478 1.324 30 10 HDEE Cc1cc(C)cc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1742114670 HFDBSUNPDOISSM-LJQANCHMSA-N 424.505 1.939 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)NC(C)C 1748780802 LPQNCCDRNFCEIA-UHFFFAOYSA-N 421.523 1.360 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748819602 PPIQUDVARDRNAA-FQEVSTJZSA-N 421.526 1.939 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC1 1748960362 IXMLJXVGTHLUQZ-MRXNPFEDSA-N 422.489 1.315 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)N(C)C)CC1 1748999433 VRSUKLHQWIGMNA-UHFFFAOYSA-N 410.522 1.317 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1749053287 FNKZRIQQWIYFNA-SCLBCKFNSA-N 422.942 1.977 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749356370 OOLGAXNIVLQVBZ-RCCFBDPRSA-N 412.469 1.858 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2ccccc2C1 1749465111 NACQJTTUFLWPES-MRXNPFEDSA-N 418.567 1.569 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1749574816 GCHCZQWRHMKHLY-ROUUACIJSA-N 421.567 1.617 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1749586140 MSXBHOQJGUKRFS-UHFFFAOYSA-N 410.522 1.724 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCC[C@H]21 1749677524 BQGZLQJYGDLOTH-LSDHHAIUSA-N 414.535 1.951 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1749709377 OZPAPXXHTHVLSU-IGGDJGDASA-N 412.494 1.853 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)C1 1749711754 CAGAOEZMJIDVAB-DLBZAZTESA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCn2nc(C)nc2C1 1749732441 WTFRNSNTPUQHHR-HNNXBMFYSA-N 421.527 1.041 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1750198680 IGDNJEBDWNDZST-KRWDZBQOSA-N 407.475 1.392 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1760144066 BWDMIBPTBMMZEI-UHFFFAOYSA-N 401.540 1.608 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760236527 YTTQRPOJVSSYAT-IBGZPJMESA-N 422.938 1.531 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(C(=O)NCC)CCC2)CC1 1760270642 UCUMTXRDOIZHNF-UHFFFAOYSA-N 400.527 1.113 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1760330856 OGNXUFILWCIWDC-UHFFFAOYSA-N 415.523 1.928 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1c1cnn(C)c1 1760526404 NEOYMVJKKWANQZ-SFHVURJKSA-N 423.525 1.517 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2nnn(C)n2)C1 1760548056 XRZBYBDDULMCCJ-CQSZACIVSA-N 414.445 1.349 30 10 HDEE CC(C)NC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1761250685 JLGBXKGAVUMUDM-VQTJNVASSA-N 422.505 1.675 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1761361151 BRMQUUBTCQSNFE-INIZCTEOSA-N 414.485 1.995 30 10 HDEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1764130536 DLBLDZSLBWYZAL-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767102819 ARFIRDXFBDYYOI-ICSRJNTNSA-N 424.553 1.019 30 10 HDEE CO[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1769100747 IPPMWTIENPINMG-LPYRORPOSA-N 416.526 1.864 30 10 HDEE CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1769327454 DIWZPZYMAAWZBE-SFHVURJKSA-N 405.462 1.859 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC[C@H]1C 1770631191 CHBLQPJNAIRDSM-ZWDAVXSWSA-N 410.522 1.745 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1771535515 PUMLTJXIYPUXRQ-DLBZAZTESA-N 407.540 1.879 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1848838194 JBEJTKTYVJXQFL-UHFFFAOYSA-N 401.444 1.415 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)CC2 1849237806 STBHBRXBZWGVLC-QGZVFWFLSA-N 419.894 1.673 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2cccc(F)c2)CC1 1849553180 WGTLCROCHPEMLD-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)ccc21 1850215805 PAMGPOPZXPWIHD-INIZCTEOSA-N 421.519 1.987 30 10 HDEE Cc1cccc(C)c1N1CCN(c2nc(=NC(=O)c3ccc(CC#N)cn3)[nH][nH]2)CC1 1851592149 VCFARNZOTMQVFR-UHFFFAOYSA-N 416.489 1.883 30 10 HDEE Cc1ccc(-n2ncc(C#N)c2NC(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)cc1 1851785092 XQIFGQNFEKWOQI-SFHVURJKSA-N 415.519 1.746 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCC[C@H]3C(=O)N3CCN(C(C)C)CC3)cnc2c1C#N 1852661699 TUXBDIVCAVXJCL-IBGZPJMESA-N 423.521 1.375 30 10 HDEE N#Cc1c(F)cccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852692367 ZXLIVFXPNFSMNH-SNVBAGLBSA-N 408.377 1.745 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(F)ccc3F)C(C)(C)C2=O)CC1=O 1853915540 ZPEFSHXWRULTPQ-HNNXBMFYSA-N 405.445 1.949 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 1854814840 OLZQROWBDHVJMD-HXUWFJFHSA-N 408.502 1.563 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1855117073 GCCRRLVQTGSURK-SFHVURJKSA-N 419.503 1.898 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2cnn3ccc(C(F)(F)F)nc23)C1 1855426334 GIGVNRPNAVAWIQ-LBPRGKRZSA-N 408.384 1.972 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)Cc3cccnc3)C2=O)CC1 1855985738 ZSKAESQUSYLFRZ-IBGZPJMESA-N 404.474 1.231 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CC[C@@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1856007917 WMWWUPXBMIFSTA-QAPCUYQASA-N 403.504 1.507 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C1=O 1856042130 ZTZAUCGMXFQFKE-HOTGVXAUSA-N 402.520 1.547 30 10 HDEE COc1ccc2c(c1)CC[C@H](C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O)C2 1856047987 XNKUUUDFSXSGQZ-INIZCTEOSA-N 419.503 1.103 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@@]4(C3)CC4(F)F)ccc21 1856216688 MWAYVSOEJSIDIC-KRWDZBQOSA-N 409.414 1.826 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCSc4ncccc43)CCC2=O)CC1=O 1856658333 JMWWWCMAWSGTLP-HZPDHXFCSA-N 414.531 1.793 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CSc2ccncc2)C1=O 1856749300 ZDVOHPPVZKHABG-IAGOWNOFSA-N 402.520 1.410 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3nnn(-c4ccccc4)c3C)C(=O)C2)C1 1856862507 RQTLTQAZCPITGJ-IBGZPJMESA-N 408.506 1.511 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cnn(-c4ccccc4)n3)C1)CC2 1857220426 QYAVMJJSTNQPJH-DLBZAZTESA-N 404.474 1.882 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3C[C@@H](CN4CCC(CC#N)CC4)CC3=O)c2n1 1857221050 DOGQPBNYMVSUMY-QGZVFWFLSA-N 407.474 1.617 30 10 HDEE O=C1c2ccccc2C(=O)N1CCOCCOS(=O)(=O)c1ccccc1[N+](=O)[O-] 1860406256 RJJVXLPYVJMKCD-UHFFFAOYSA-N 420.399 1.613 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864955530 OWMNJMPDCIISKP-HNNXBMFYSA-N 400.435 1.448 30 10 HDEE O=C(NCCc1cnc[nH]1)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933962 SWDXYEMHZURREV-SFHVURJKSA-N 409.471 1.548 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CSc1nnnn1C 1870213613 FVANCKAMAACSBW-UHFFFAOYSA-N 412.475 1.868 30 10 HDEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870233629 ZHKSSPWCMUVJDY-UHFFFAOYSA-N 412.475 1.761 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCC(CO)CC2)cc1=O 1870384967 AVAUILXATNCRJW-UHFFFAOYSA-N 405.539 1.340 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN1CC(O)C1 1870397661 NUJPQIZAPXATAV-UHFFFAOYSA-N 414.418 1.137 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(N(C)C)cc2)cc2c(N(CCO)CCO)ncnc21 1873646193 IJHFQNHRYNJUJP-UHFFFAOYSA-N 424.505 1.727 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccc(C)cc3)ncnc21 1875232556 OBBASGBWIHLJID-UHFFFAOYSA-N 409.490 1.965 30 10 HDEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nn2)CC1 1890207415 VPHIVHRARZGNHV-UHFFFAOYSA-N 419.533 1.843 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H]2C#CCN(C)C)c1 1890870048 SSWCPEATHZOBTG-ICSRJNTNSA-N 403.548 1.704 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1890870072 ULDAWMGYMPATRL-YJBOKZPZSA-N 414.487 1.788 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nc(NN)ncc2Br)CCN1Cc1ccccc1 1914892364 PCUAHGBNZNPHFB-CYBMUJFWSA-N 416.283 1.375 30 10 HDEE Cc1nc(I)c(I)n1CC#CCO 1934387138 KCTRVICKJHLYSM-UHFFFAOYSA-N 401.973 1.396 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1982298530 WEAXHQOKMGJHRO-GFCCVEGCSA-N 412.350 1.366 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)cc1C#N 2054400190 BNOHEVHHSNNBJV-CALCHBBNSA-N 400.460 1.997 30 10 HDEE C#CC[C@](C)(CO)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2084847958 LAAPPSPWRGOGLF-FQEVSTJZSA-N 406.504 1.250 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)N1CC[C@@H](C#N)C1)C(F)(F)F 2118171252 VCPXEKXWHXWAEH-WDEREUQCSA-N 400.423 1.369 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(CC(=O)O)s2)[C@@H](C#N)C1 2162600980 UWYKYGZKXSPFSV-NSHDSACASA-N 415.493 1.509 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174783623 FAQMWGWVQGMURZ-YOEHRIQHSA-N 402.517 1.082 30 10 HDEE CN1CCN(C(CN)(C(F)(F)F)C(F)(F)F)[C@H](CNC(=O)C(F)(F)F)C1 2195024026 OJYHCCXAAVAWHI-SSDOTTSWSA-N 404.277 1.103 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)C1 2237787511 CXWMQRDUZIFMET-YHDSQAASSA-N 413.474 1.944 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2243418674 IUSZZCFPOWJEFC-UHFFFAOYSA-N 406.292 1.496 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247680038 QIBJZZZWCFCSGA-HUUCEWRRSA-N 419.331 1.845 30 10 HDEE C[C@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)N(C)Cc1ccccc1 2247838540 JIHZQIDYIFPYIT-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2247845460 RAISXUZLCFKNKR-ZIAGYGMSSA-N 420.319 1.505 30 10 HDEE C[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2247917313 DPANGWFTBYBGLZ-ZDUSSCGKSA-N 422.335 1.942 30 10 HDEE CC(C)[S@](C)(=O)=NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267471591 UWNOERHYIZVDLJ-DEOSSOPVSA-N 408.376 1.778 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 2279041627 SFIYJVLVUWEZPZ-UHFFFAOYSA-N 400.737 1.575 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281998149 LCKHLGHGCJXDPM-LJZMDLFKSA-N 400.737 1.873 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282309504 GKBQZBCXSDRCNR-CYBMUJFWSA-N 401.359 1.961 30 10 HDEE Cc1cc(S(=O)(=O)N2CCS[C@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314903 GVUQPNVXPZSVIW-LBPRGKRZSA-N 419.399 1.454 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](F)C[C@H]1CN 2282325474 FSCVCFNBBAPNID-NEPJUHHUSA-N 404.338 1.416 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@]1(=O)CC[C@H](N)C1 2282326518 UILPUNWMNMVNDJ-FTJNGKRUSA-N 420.387 1.243 30 10 HDEE CC1(C)[C@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502090 GPIMRBHZMVCAED-GFCCVEGCSA-N 402.347 1.117 30 10 HDEE CCO[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838360 NINXTQLHOHYXFZ-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839526 FLQAJENQPUSJHK-OLZOCXBDSA-N 401.359 1.747 30 10 HDEE CC[C@](C)(COC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843446 NSDQIZSIMGQEEE-MRXNPFEDSA-N 404.363 1.677 30 10 HDEE C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848153 JYRNGWDXUGVXRP-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@@H](CO)C3)c2)OC1(C)C 2282852323 NQQWKWIHPQKQBA-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C[C@@H]1OCC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870659 VXTLFTJECSKCOG-QWHCGFSZSA-N 401.359 1.892 30 10 HDEE C[C@@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878020 ZYNGCEOIFHZCGV-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878180 BXAOHCWLYDYSKA-LLVKDONJSA-N 402.347 1.050 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](F)[C@@H](C(=O)O)C3)c2)OC1(C)C 2284397164 JIEWHKGVLFVIQM-WDEREUQCSA-N 405.278 1.091 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C(=O)O 2284397522 MRSNYIMLWAAMDV-LBPRGKRZSA-N 401.315 1.531 30 10 HDEE CO[C@H](CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)CC(=O)O 2284456700 RYOSYQNIKOWVRZ-VIFPVBQESA-N 403.693 1.920 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336220462 QKMRDAPEOGHSDT-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE CC(C)(C#C[C@]1(OCC(=O)O)CCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2339701383 UTEGZSPUQLZLEE-FQEVSTJZSA-N 423.487 1.696 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342052848 FUCIDXYNXFLIHP-RXVVDRJESA-N 420.531 1.319 30 10 HDEE C=C[C@]1(CO)COCCN1C1(C(=O)O)CCN(C(=O)OCc2ccccc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c2ccc(C)cc2)C(C)C)CC1 53309295 VUCZCIAYXQYPKB-HXUWFJFHSA-N 400.523 1.196 30 10 HDEE COc1ccc(OC)c(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)c1 70897004 MWARUCVVLDBOBL-UHFFFAOYSA-N 423.473 1.942 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)cc1 426362506 BFMAPBUOXABGKB-UHFFFAOYSA-N 412.471 1.780 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1C1CCC1 431018391 WSHAUQFGWGRAPZ-UHFFFAOYSA-N 412.515 1.376 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cn(CCC#N)nc1-c1ccncc1 435123003 DETGKODWUOCVJL-NCXUSEDFSA-N 423.473 1.784 30 10 HDEE CCO[C@H]1C[C@](NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)OC)C1(C)C 444288246 QEKRDWQBDXHTKN-GUYCJALGSA-N 402.419 1.862 30 10 HDEE C=CCNC(=O)Cc1noc(CCN2C(=O)COc3cc(Br)ccc32)n1 445347220 ABZIIFYXUJHYJL-UHFFFAOYSA-N 421.251 1.645 30 10 HDEE Cc1cc(NC(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)nn1CCC#N 446143126 GBXAJWQVRKXCKP-UHFFFAOYSA-N 406.443 2.428 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)cc1 465568597 FBEDJOKXSVMWTE-UHFFFAOYSA-N 422.894 1.868 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)CC1 466822044 LHMZDTWCSJYHHC-UHFFFAOYSA-N 415.416 1.152 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 473414185 LQCRZFFKRCONRK-UHFFFAOYSA-N 410.474 1.966 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN([C@@H](C)C(=O)Nc1sc3c(c1C#N)CCC3)C2 483091553 SUXPJJHDGLZQCR-KQHSUYLTSA-N 403.504 1.947 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1S(=O)(=O)NCC#N 484913698 VYYFTTPZQHXJSI-SFHVURJKSA-N 415.471 1.716 30 10 HDEE COc1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1S(=O)(=O)N(C)C 505025753 YVOPNIGTTKHCGB-UHFFFAOYSA-N 408.480 1.036 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 511410419 OKMIVJXFYUNLKS-OALUTQOASA-N 419.551 1.220 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(CC(F)(F)F)C(=O)C2)c(OC)c1 512791283 BJRRZCOKBQUGSG-HNNXBMFYSA-N 402.413 1.870 30 10 HDEE C=C(C)[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)OCC 533703598 IBJPDXUQQPCJIG-KRWDZBQOSA-N 411.480 1.799 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1F 539861177 ZZIWYOAXLUCJTQ-YLJYHZDGSA-N 403.479 1.859 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 559004263 ULHHPNZUMRUBGU-ROUUACIJSA-N 421.542 1.653 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3N3CCCC3=O)CC2)n1 579893429 GDEBLOJOLHZCBA-UHFFFAOYSA-N 404.474 1.841 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C(=O)C12CCCCC2 604196581 TWMKDCGFRUKCPR-UHFFFAOYSA-N 410.478 1.199 30 10 HDEE CCN1CC[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 619829341 RWWUMFWLRVICCK-QGZVFWFLSA-N 413.457 1.318 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 732465738 HWTOLGLBMWGVDE-LAFOYAEKSA-N 416.453 1.807 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C)c2=O)cn1 732561102 HFQBCUDAWFVCTH-UHFFFAOYSA-N 421.526 1.452 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732669236 JWIJKXPGVSBOBG-GFCCVEGCSA-N 403.913 1.104 30 10 HDEE C=C(COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O)C(=O)OCC 734022264 BITMUSCLZHPXKA-BXUZGUMPSA-N 405.856 1.030 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCCN(c4ccn(C)n4)C3=O)cc2C1=O 741826314 PNVRWZLCILLIRN-INIZCTEOSA-N 408.414 1.555 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)cc1C#N 747496687 PFUHIHOASQMWLJ-UHFFFAOYSA-N 416.459 1.218 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc([N+](=O)[O-])cnc2C)c1 749505845 ZKIWAEWOCCPOGV-UHFFFAOYSA-N 408.414 1.785 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C(N)=O)ccc1F 751116354 JQSCNSPVTFRYCK-INIZCTEOSA-N 403.435 1.347 30 10 HDEE N#Cc1c(N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cccc1S(N)(=O)=O 755019395 KPAZKAXBTFGHQR-INIZCTEOSA-N 402.520 1.825 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)[C@@H]1CCS(=O)(=O)C1 759351381 NZCDKLJFSZMDJK-WOJBJXKFSA-N 419.547 1.109 30 10 HDEE C[C@@H]1C(=O)Nc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2N1C 760389185 VNAYYVGYCQQDIU-CYBMUJFWSA-N 404.492 1.997 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)CC2)n1 760849014 PATHGUPZOCRQBA-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE COCC#CCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 762773977 YDVSSFFPVNVSLB-OAHLLOKOSA-N 416.293 1.795 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nccn2c(Br)cnc12 770131963 HRMFVLNZAJVNED-UHFFFAOYSA-N 420.248 1.791 30 10 HDEE CC#CC[C@H](NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC)C(=O)O 776588179 NMTLABHNNZOLDZ-XEHSLEBBSA-N 411.432 1.035 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2F)c1 776659761 IAODQILEFKAKHL-QGZVFWFLSA-N 422.409 1.822 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC(F)(F)C[C@H]2CO)c1 782020730 YJCLWMQPDGGTSF-SYPKWCCASA-N 416.450 1.733 30 10 HDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccsc2)c1=O 782799078 RLUHOXMCXGHPME-UHFFFAOYSA-N 418.301 1.483 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C)cc1 783697551 LANDCADGOOFBOX-APWZRJJASA-N 421.413 1.578 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ncn(C)n2)C1=O 790739346 YAHRYIGJLIBZDQ-CYBMUJFWSA-N 421.552 1.076 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 790973246 RDQJGQMLGJCLAF-UHFFFAOYSA-N 406.508 1.958 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncccc1O 792610868 UFPILTLTAWFLAU-AWEZNQCLSA-N 402.476 1.557 30 10 HDEE CS(=O)(=O)NCC1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 796253315 HFHIAAATGGBITF-INIZCTEOSA-N 413.503 1.485 30 10 HDEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 804674577 UCLGEPHNVWHYJX-MJWGMMHASA-N 406.483 1.762 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)N[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O)C1CC1 812285936 DHDOOZBZJXKTHO-JLTOFOAXSA-N 405.499 1.889 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921193325 ZAFZKVNJMLNZHV-INIZCTEOSA-N 409.531 1.006 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)c1OC 1136685815 KMHSNHSOEFARAP-OAHLLOKOSA-N 407.423 1.793 30 10 HDEE N#CCN1CCC(CNC(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1136779553 XPUBRGATRPHGHW-UHFFFAOYSA-N 404.268 1.875 30 10 HDEE C#CCN(CC(=O)NCc1cc(F)ccc1CS(C)(=O)=O)C(=O)OC(C)(C)C 1137157858 TYSMFAICKJOCCC-UHFFFAOYSA-N 412.483 1.857 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1141594005 QOSSWJQWYHTDAT-PZJWPPBQSA-N 412.511 1.611 30 10 HDEE CC(C)(CN1CCOCC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1142224176 BMAFDJMJPJAADG-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE C[C@H](CC(=O)N[C@@H](CCC(C)(C)C)C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 1155938784 PIKDAEVCWMGKDZ-OCCSQVGLSA-N 408.524 1.300 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@@H](CC#N)C(F)(F)F 1156052857 HBAQHNLIKKNYDU-KJPMQGKISA-N 411.302 1.933 30 10 HDEE CS(=O)(=O)Nc1ccccc1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156247171 HTBPGVNCZBNORY-QGZVFWFLSA-N 413.503 1.970 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)Cc2ccc(C)c(C)c2)c1 1160888660 SOUMPAFVWRRMOW-LJQANCHMSA-N 400.500 1.548 30 10 HDEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)s1 1162247902 CUAYAJLNPSOIAQ-UHFFFAOYSA-N 411.530 1.757 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccccc2OC)CC1)C(=O)OC(C)(C)C 1167639642 MYVWSNDWTWPSTD-UHFFFAOYSA-N 415.490 1.850 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@]23CCCC[C@@]2(COC3)C1 1168015536 JNBSPQIFAYZAID-YSSFQJQWSA-N 403.504 1.644 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1171573366 RCDGOSBUTUOVTB-INIZCTEOSA-N 403.527 1.665 30 10 HDEE C#C[C@H](NS(=O)(=O)CCCN1CCOCC1)c1ccc(Br)cc1 1190715561 JYDCFAXCLPNBFK-INIZCTEOSA-N 401.326 1.765 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(=O)n(C)cc2Br)c1 1220290442 VMFVBEDXZDMKJZ-UHFFFAOYSA-N 403.236 1.889 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)nn1 1224928245 KEQNZMHDQWGNRS-UHFFFAOYSA-N 418.523 1.638 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)NCc3ccc(C#N)c(OC)c3)C2)CCC1 1248505392 INWDTVMMBDIIPW-OAQYLSRUSA-N 401.463 1.947 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1 1248675934 IQHWODFGAOSDNK-INIZCTEOSA-N 420.460 1.853 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cnc21 1277745828 JTGHRTFACHIGTI-UHFFFAOYSA-N 404.474 1.736 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C(F)(F)C2(F)F 1278367442 ODKOZACSVBURHG-UHFFFAOYSA-N 405.373 1.618 30 10 HDEE C=CCCn1cc(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)nn1 1281309240 BTIGKKPNBJXXGM-FBLNNPBSSA-N 401.511 1.538 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2COCCO2)c1 1286312057 UDGHRCDVWWLKMM-IBGZPJMESA-N 411.506 1.948 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1286482684 VMGDAUSTHWSMRJ-QHCPKHFHSA-N 408.550 1.960 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286505546 DJKNEDMMDZYYDV-UHFFFAOYSA-N 420.583 1.417 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1286593002 ACPSKOYUZLMAPH-KGLIPLIRSA-N 401.471 1.890 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1286594452 RRQNOZXKHKCBTE-UHFFFAOYSA-N 415.523 1.174 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1286595608 GJRBIQMXVFYFFI-UHFFFAOYSA-N 404.515 1.891 30 10 HDEE C=C(C)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286599491 VYOBICGFNURVBO-NRFANRHFSA-N 413.526 1.931 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC(=O)NC 1286673649 ZXVIDABIYJQURF-HNNXBMFYSA-N 411.572 1.745 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)C1 1286809752 VHRHMQWOYNOULW-IRXDYDNUSA-N 416.526 1.413 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1290271553 NWIJCOPRQYVPSB-UHFFFAOYSA-N 402.419 1.307 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccoc1C 1292007980 HZEIZWCFXOSXST-MWIANEHASA-N 401.463 1.157 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC 1300547990 FMQXMWROLORSGM-UHFFFAOYSA-N 415.519 1.096 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(O)CCN(C(C)C)CC1 1300575185 SQAWPUINNBBHDW-UHFFFAOYSA-N 409.538 1.377 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300601686 KCRDOSFRCHKZAA-IFXJQAMLSA-N 423.514 1.395 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1300631979 ZHJMIGAYEOHXCB-IRXDYDNUSA-N 407.584 1.760 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1300635294 INBIKCLHTNLDEJ-IBGZPJMESA-N 403.508 1.535 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCOc2ncccc2F)CC1 1300703101 AITAAMBFWPLQTK-UHFFFAOYSA-N 421.480 1.632 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1300777835 DXIBDSUQRXXDBQ-PXNSSMCTSA-N 421.567 1.402 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1301012680 FCDRLSSEHSEIQP-UHFFFAOYSA-N 419.873 1.956 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CCSC)c3nn[nH]n3)n[nH]2)c1C 1301158164 CQSYSGZNMQHIGC-LBPRGKRZSA-N 401.500 1.813 30 10 HDEE COCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1301528276 GISBXRMHAITZTK-OAHLLOKOSA-N 412.560 1.835 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCOCC2)C1 1301557193 NFONVFCBWLAZFI-RBUKOAKNSA-N 405.543 1.676 30 10 HDEE N#CCCN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 1302597915 ZEHWLAFSQFUVKU-UHFFFAOYSA-N 414.203 1.871 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1303011299 GLENQCJMQVOUJJ-QGZVFWFLSA-N 409.494 1.844 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cccc(O)n1 1304009594 ASVDOZILBFKOKU-INIZCTEOSA-N 416.503 1.899 30 10 HDEE C[C@@H](C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 1304157688 DLOYZHLBJSXXET-BQTBQCLESA-N 418.498 1.776 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1304538881 IDLSRTQLCFTSOR-MRXNPFEDSA-N 415.519 1.950 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)cc1 1304827094 OMNWQMLEVHSVQT-WOJBJXKFSA-N 422.503 1.030 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C(C)(C)C1 1305592508 QDMFVQBKVUQURK-AWEZNQCLSA-N 417.466 1.097 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1310170429 HTJUBIVJDUWBIQ-UHFFFAOYSA-N 407.492 1.414 30 10 HDEE C=CCCOCCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312418670 UYRGLORJVPMJLY-HNNXBMFYSA-N 411.499 1.631 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OC)c2)CCOC1 1314138825 FFKHQIQBXLUSNH-WIYYLYMNSA-N 413.478 1.716 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)C1 1314260854 DIQYJHYEHBVEAE-UAXOWTEWSA-N 412.494 1.447 30 10 HDEE COCC[C@](C)(O)Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315972253 GGMGYPQIGLKDJY-NRFANRHFSA-N 414.510 1.799 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCCCN2CCC[C@H]2CO)CCO1 1316540875 OVENGGIHRITVDE-PMACEKPBSA-N 416.570 1.976 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 1323755276 IREGBJQTIPSVCQ-QGZVFWFLSA-N 408.524 1.432 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)C2CCOCC2)CCCN1C(=O)OC(C)(C)C 1338945644 ABMMJPUNRDFMON-SFHVURJKSA-N 402.513 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1358885883 SSNZNHDVIPKMHY-JKSUJKDBSA-N 424.505 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1358890610 RYNRPMZYARMONV-BXTJHSDWSA-N 420.510 1.685 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1358924572 BASNDGDOFWBEFL-GOSISDBHSA-N 411.462 1.081 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358955464 MMDKNVLHAHVKQJ-ZWKOTPCHSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(O)CCN(C(C)C)CC1 1358995832 HJHHXSQOTUWKGF-UHFFFAOYSA-N 420.561 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCOCC1 1359021640 VYJSBBFFLLEHAY-UHFFFAOYSA-N 418.929 1.802 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1359035043 JNWXHGZPCLKTSZ-HXUWFJFHSA-N 413.614 1.574 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1359150577 BIKVPWGUVLUDLL-AWEZNQCLSA-N 417.963 1.990 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)CC1 1359178881 FNRXGIVHZVKKIB-INIZCTEOSA-N 404.540 1.673 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCCO)CC1 1359181148 HEXFJUOMENXNCM-IBGZPJMESA-N 416.570 1.650 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359187735 VPOPJZFNNJNPAK-HOTGVXAUSA-N 404.515 1.173 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359228984 VCDOYWRWRAQPRP-INIZCTEOSA-N 420.514 1.270 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1359326599 DWJOKBAIDRWQSX-UHFFFAOYSA-N 423.583 1.841 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCCO1 1359466107 STKNXHNISRACPV-IAGOWNOFSA-N 404.515 1.696 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1360478609 MBXXVBUIOADABM-MVZUJROASA-N 420.477 1.529 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1 1438602510 OYGPQKWGXHFBRH-HNNXBMFYSA-N 422.279 1.969 30 10 HDEE N#Cc1c(CCCNC(=O)c2coc3c2C(=O)NCCC3)nn(-c2ccccc2)c1N 1441129939 AWWAVFYIKYKDEM-UHFFFAOYSA-N 418.457 1.958 30 10 HDEE C#CCOc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c1 1443942878 KDNBGFQCXWUWJM-UHFFFAOYSA-N 421.862 1.368 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nc(O)c(C#N)cc1C 1445040053 UJTAIIVPUMHJEC-CQSZACIVSA-N 418.450 1.592 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1456192554 FAOQZWHKLMMWMW-PMACEKPBSA-N 400.523 1.471 30 10 HDEE COC1(OC)CC(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1457362782 GYXRMLINXQXJGK-UHFFFAOYSA-N 423.535 1.801 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1I 1460187545 DHPGNVNDWGBBMV-SNVBAGLBSA-N 410.215 1.980 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1460263598 AZNNSDHHJLEJBT-UHFFFAOYSA-N 423.535 1.684 30 10 HDEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@@]12COCCN1C(=O)COC2 1462241996 QUNDSLDGDBRMQI-QFIPXVFZSA-N 407.426 1.708 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Br)cn2)cc1 1462256357 LHVVAWZUTKFGGT-UHFFFAOYSA-N 423.292 1.966 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1 1465513219 FZAYEEZLRCVLFA-UHFFFAOYSA-N 403.504 1.167 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(N2CCOCC2)CCOCC1 1470451155 GITFIFOZHWJJSF-UHFFFAOYSA-N 416.522 1.598 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)CCCOc2ccc(C#N)cc2OC)C1 1470835758 VYQIAAFDLUZSMR-INIZCTEOSA-N 409.508 1.514 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)C1 1471337155 NRIMKGLZGYRKNO-CQSZACIVSA-N 403.426 1.877 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 1473689431 VSRRTRPOEZDERL-MSOLQXFVSA-N 406.552 1.891 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)ccc1Cl 1473873159 YQFHRHXNCOAKLP-IBGZPJMESA-N 402.886 1.625 30 10 HDEE CCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1501487746 DSGOAMWFZDYCQA-VHEBQXMUSA-N 414.441 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cn[nH]c1 1507531555 GBWGRKVSGMKGNZ-INIZCTEOSA-N 405.510 1.876 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507576647 YXAMWPJFDSDLNG-DYESRHJHSA-N 403.527 1.789 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1507591222 LOZXSMUJFJPCQQ-KDURUIRLSA-N 400.571 1.880 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507635882 VYSXCSBNKJEJPS-QGZVFWFLSA-N 421.567 1.116 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1507649028 XLHMBFCEVDIUGO-FQEVSTJZSA-N 419.577 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1507666686 FBMJWIUVFMTRLL-OALUTQOASA-N 412.538 1.049 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1507690729 WEWIUGJXVWTCMU-DLBZAZTESA-N 400.504 1.643 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)c(OC)c2)CC1 1507723612 OIKRTOGELWGHDA-UHFFFAOYSA-N 403.490 1.856 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCC(=O)N(CC)CC)CC1 1507724062 FMTMNDUYOFLMFJ-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(COC)c2)CC1 1507724636 IVYWTJHOFJMLNZ-UHFFFAOYSA-N 405.506 1.629 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1507727079 GRIGZNHEOXTCJK-MOPGFXCFSA-N 415.563 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CCCO2)CC1 1507727709 LLLZFOGNDAEDIX-HXUWFJFHSA-N 400.552 1.958 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1507754762 PKXBMJNSEDTRMZ-MRXNPFEDSA-N 412.519 1.331 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507755048 KEWBAMDLRMIXJB-HNNXBMFYSA-N 414.539 1.129 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)CC1 1507808747 VDZPEOBTFBMGRF-BQFCYCMXSA-N 407.515 1.310 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1507844990 UXVJXBCOEDYFGS-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507861572 OZODIPCYTLHUKR-UHFFFAOYSA-N 419.917 1.209 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507978160 GSQWDZJUDXEDAX-HNNXBMFYSA-N 406.498 1.858 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1508011766 VQDQVWMDVDWEOX-UHFFFAOYSA-N 412.523 1.831 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N(C)C 1508038781 KCNXRRGUPNMKNX-SFHVURJKSA-N 415.494 1.908 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC1 1508039327 IAXPTVPJDRSQIT-UHFFFAOYSA-N 401.515 1.182 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1508072870 KZNWPXNVUZFRAM-IYBDPMFKSA-N 416.438 1.006 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1508075126 UVSDCMKKYHBNGZ-ZFWWWQNUSA-N 420.901 1.536 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cccc(F)c2F)CC1 1508137362 ZTTGTGKNYFHMMA-UHFFFAOYSA-N 411.478 1.792 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2Cc3ccccc3OC2=O)[C@H](C#N)C1 1517005485 MTGHKGUGEBDCRB-OAHLLOKOSA-N 400.435 1.972 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCSCCCO)CCO1 1521129583 LEYIZSHLKXVUKS-AWEZNQCLSA-N 423.489 1.991 30 10 HDEE COCCN(C(=O)c1cccc(C#N)c1Br)[C@H]1CCS(=O)(=O)C1 1523594328 OYVGLSGEMYVLSA-LBPRGKRZSA-N 401.282 1.596 30 10 HDEE COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c([N+](=O)[O-])cc1F 1533849453 QBXDYYUXOGEPKV-LLVKDONJSA-N 400.370 1.755 30 10 HDEE CC(C)[C@H](NC=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1534462347 ZHUQXNXJNZMPAX-VJWQYWRGSA-N 408.524 1.989 30 10 HDEE C#CCOCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1534761415 CLLITOJSDIOVSP-HXUWFJFHSA-N 412.483 1.100 30 10 HDEE COc1ncc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)cc1C#N 1538155046 SGOQBNUMQIKLIE-OAHLLOKOSA-N 406.398 1.989 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539075594 BLIGGHVMWJTMBK-GOSISDBHSA-N 421.505 1.540 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539216530 UOQFXMHZFHKLGT-INIZCTEOSA-N 413.507 1.105 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1539256904 KZMNQOPTJKPNJL-GOSISDBHSA-N 401.474 1.814 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccnc2OCC)CC1 1539444662 SOEQOSVIAHVGNA-UHFFFAOYSA-N 405.506 1.881 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CC2)n1CCS(=O)(=O)N1CCSCC1 1539555742 AITJDIJXXGVOPB-GOSISDBHSA-N 409.581 1.526 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539594222 HXNCGTGBAJJHBC-GFCCVEGCSA-N 409.288 1.537 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1539702376 CPXAOYZKQKEHJU-KKSFZXQISA-N 407.511 1.389 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccccc1Br 1540033148 YWWHGZSLALKDDT-JOYOIKCWSA-N 405.212 1.144 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540867262 PVMVWTQMDINPGV-RBUKOAKNSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540870139 FXXLHBFEGYZDIS-SJLPKXTDSA-N 402.543 1.395 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NC(C)C)C1 1540887772 DANPTMBJJZCJAF-INIZCTEOSA-N 413.478 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CCc2cccs2)CC1 1540903669 GTQDLBUHQSMGRQ-UHFFFAOYSA-N 423.608 1.868 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)n[nH]2)cc1 1541115235 ZMKZVDGYJLQGTG-KQWNVCNZSA-N 402.480 1.676 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1541799532 HETXYSVMCKTQQO-CQSZACIVSA-N 402.466 2.000 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cs1 1542925773 GNMDHMINGSZROL-LSDHHAIUSA-N 415.523 1.277 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCCn3ccnc3C)CC2)c1C#N 1543002369 YHVCIMMROSYQRF-UHFFFAOYSA-N 422.541 1.812 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cccc3c(CC(=O)OC)cccc23)C1=O 1543113179 VLGHXDYTXFEKQA-UHFFFAOYSA-N 410.382 1.438 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(C)(=O)=O 1548197676 MFOQCVXZDSWUBI-SJORKVTESA-N 403.508 1.603 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@H]1C 1555167968 LLLXKEKPABUWBJ-PBHICJAKSA-N 403.508 1.723 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1555985039 GXSADBAUJGGYBP-MAUKXSAKSA-N 411.503 1.439 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 1556797409 XMVPHSCEVBYABO-QGZVFWFLSA-N 407.492 1.450 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ncccc2Oc2ccccc2)CC1 1558073486 URTSNGVODZHDBB-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C=CC[C@@H]1CCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1559042366 VAYLZANGGJGCQH-CQSZACIVSA-N 417.487 1.752 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 1561913894 JYDHYIOOLPGSLJ-LBPRGKRZSA-N 402.270 1.733 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564585257 FBZJTDCDACKQAY-MJGOQNOKSA-N 406.458 1.349 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)CC1 1565589879 CMRMDDIXMZACLN-UHFFFAOYSA-N 413.518 1.848 30 10 HDEE CN1C(=O)CS/C1=C\C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1583847835 GGSPYLYWDHJFND-JAIQZWGSSA-N 408.487 1.644 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(Br)c(C)c2)CC1 1584999860 BRQBBMXRFFKBEG-UHFFFAOYSA-N 422.323 1.420 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCc1ccc(C#N)s1)c1ccc(S(C)(=O)=O)cc1 1585418616 BKUJFMUHEGIPRU-SFHVURJKSA-N 405.501 1.691 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(Cl)c(F)c1 1587530050 VHDLXQDYSFQWKD-UHFFFAOYSA-N 411.842 1.713 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1587620185 BASNCALVWHHPGI-OAHLLOKOSA-N 414.510 1.575 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCNC(C)=O)CC1 1588857808 TZINCHWKTQNSDV-UHFFFAOYSA-N 408.550 1.735 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1593747545 YPFQYVRMGSTXQE-OALUTQOASA-N 405.543 1.533 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cn(C2COC2)nn1 1594922812 BCSGUEGNASCRMQ-UHFFFAOYSA-N 411.466 1.796 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1595544436 ICQOFWMTVDDEPV-KKSFZXQISA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@H]1CCCOC1 1595602872 SYROCKZDZCIWNS-JSGCOSHPSA-N 407.425 1.995 30 10 HDEE CC(=O)N[C@@](C)(C(=O)Nc1cccc(CC#N)n1)c1ccc(S(C)(=O)=O)cc1 1596328203 MYFGGDDCRGHPOE-LJQANCHMSA-N 400.460 1.541 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)CCCOc2ccc(C#N)cc2OC)CC12COC2 1597129094 QWNCJNNDAKXZPQ-MRXNPFEDSA-N 402.447 1.764 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1608583869 AFIFFQGJMDOEQR-UHFFFAOYSA-N 423.521 1.135 30 10 HDEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1612816303 GEHOSUQCTSUQHB-IRXDYDNUSA-N 407.522 1.968 30 10 HDEE N#CCSc1ccccc1NC(=O)CN1C(=O)N2CCCC[C@@H]2CS1(=O)=O 1614861859 XHCXSLRAYRVMHZ-CYBMUJFWSA-N 408.505 1.861 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1618507529 FFMBSVODGPNNDL-MRXNPFEDSA-N 409.494 1.291 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1620608799 XWSURVFEMPVVCW-IBGZPJMESA-N 421.563 1.772 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1 1625764312 IPIIYSGQPWTUEU-HXUWFJFHSA-N 419.485 1.076 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 1626060738 XQUKGXIUIQHYCX-SFHVURJKSA-N 415.538 1.756 30 10 HDEE C#CCSCC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1627089895 KVGSLYZJPWNHGK-UHFFFAOYSA-N 403.529 1.824 30 10 HDEE C[C@H](CC(=O)N1CCC(Cn2cnnc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1628630414 JDNXYFHBZDHOMU-CQSZACIVSA-N 416.507 1.034 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](Cn3ccnn3)C2)C1 1629101350 NOWBATJAUUUOQY-ZDUSSCGKSA-N 415.295 1.897 30 10 HDEE N#C[C@]1(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CC12CCCC2 1629757877 JTFGWIIYABJLHV-QFIPXVFZSA-N 402.539 1.538 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1629870678 PCUWQPPPNCFXQY-UHFFFAOYSA-N 415.556 1.471 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1 1635238688 VXHNIUAAAFAHPC-GXFFZTMASA-N 408.373 1.756 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1sc(CS(C)(=O)=O)nc1C)C(=O)OCC 1635606002 ATIVHUOPJUIZKA-NSHDSACASA-N 408.929 1.729 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)cn2)cc1 1636093193 HKDHKSYCHLGSGE-HUUCEWRRSA-N 412.393 1.965 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCC1 1636270932 BAIULPBKMBQHNJ-UHFFFAOYSA-N 402.480 1.273 30 10 HDEE C#CC1(O)CN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 1636818250 BZJHKSIPMWZLGD-OAHLLOKOSA-N 409.255 1.789 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1636891677 JUEKTUYYLMGCLF-LSDHHAIUSA-N 417.514 1.597 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(COC)CCOCC2)s1 1637124010 BTGVEAABVUZUMX-UHFFFAOYSA-N 402.538 1.314 30 10 HDEE CC(=O)C[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638421350 QTCBGVPTPGHTTK-MRXNPFEDSA-N 406.280 1.963 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cnc3Cl)C2)c(=O)nc1O 1638930490 WDPXRQBMYCBSKU-UHFFFAOYSA-N 410.615 1.329 30 10 HDEE CN1CC2(CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C2)OC1=O 1639379588 FBSXKWXLULDXRR-BIWSTMPVSA-N 404.467 1.436 30 10 HDEE COC1(OC)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H]1O 1639791866 SJZCCDCVKWBHOC-INIZCTEOSA-N 424.295 1.339 30 10 HDEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1639964910 BVBYYMWSSAKBAK-MOPGFXCFSA-N 408.433 1.404 30 10 HDEE Cn1c(=O)c2ccccc2n1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1644172975 XHFXBOHSZIQVPL-HXUWFJFHSA-N 407.449 1.888 30 10 HDEE Cc1nc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)nn1-c1n[nH]c(C(F)(F)F)n1 1644436811 BQWITOAJNSLRQS-BYPYZUCNSA-N 423.224 1.001 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)C1 1644638591 VIOQBNUEOQPEGA-QGZVFWFLSA-N 415.515 1.894 30 10 HDEE COC(=O)CN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 1645105686 FWHUDZRULRMAJQ-AWEZNQCLSA-N 407.492 1.559 30 10 HDEE N#Cc1cc(NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)ccc1Br 1645445800 CEHYWTYKKPHGMV-AWEZNQCLSA-N 407.249 1.989 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@H]1C(=O)OC 1648605539 XWZVHDDSIRKMOU-QZTJIDSGSA-N 401.463 1.444 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1C(=O)c2cccc(Cl)c2S1(=O)=O 1652830431 QRECVTIRAUKRDR-UHFFFAOYSA-N 414.826 1.784 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c[nH]c4ncc(Br)cc34)C2)c(=O)nc1O 1653760071 QNERHGNOABMAAT-UHFFFAOYSA-N 415.207 1.156 30 10 HDEE COC(=O)[C@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)C[C@@H]1C(=O)OC 1656493096 IJAOEIZCGRSSNL-HOTGVXAUSA-N 421.881 1.789 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CC4(CCOCC4)CO3)CC2)cc1 1657750879 YNKWJBYYVIJKQE-GOSISDBHSA-N 405.520 1.450 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1680686204 RYDZHUHKAUIRMY-UHFFFAOYSA-N 405.398 1.813 30 10 HDEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CC(F)F 1682218112 LGHQRUWQPITTPN-ZDUSSCGKSA-N 400.451 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1689849406 LSGJQUYSNPJZKI-YOEHRIQHSA-N 410.478 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1689851401 QEJXXGLPRXKYMN-KRWDZBQOSA-N 424.553 1.826 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C2CC2)c1 1689868439 HAHJKIMSQDLNGA-CYBMUJFWSA-N 416.507 1.279 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689998871 ZJVMDVYPYWQSIH-MDZRGWNJSA-N 408.524 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(OC)CCOC1 1690025359 NXKRWNNHLIVVOF-HXUWFJFHSA-N 413.503 1.148 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC[C@H]1C 1690053113 XPTJUMUDWBSWSH-HXUWFJFHSA-N 409.538 1.323 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C2CC2)N(C)C)CC1 1690142879 WMVDSWJWZDALLP-FQEVSTJZSA-N 423.565 1.590 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1690516674 PBBHIWQRZRUSME-FQEVSTJZSA-N 401.515 1.919 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1690670760 IJIBIFMSHMTUGM-QRVBRYPASA-N 406.490 1.828 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC2(CCC2)C[C@@H]1CC 1690671408 VLWMCAJJSFVMGV-CVEARBPZSA-N 421.567 1.641 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C)C1 1690729201 IZRUCMFHCLXZQA-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)F)CCOC1 1692589592 AZZPPSFZEZEYBR-KBXCAEBGSA-N 415.441 1.677 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1696481367 GNNCDVCCQYACOW-OAHLLOKOSA-N 415.523 1.547 30 10 HDEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1697139483 HHMWCACTMFEMOC-QWHCGFSZSA-N 402.421 1.964 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1705493267 FTHDIAVXNDLUTH-PXNSSMCTSA-N 422.533 1.568 30 10 HDEE C#CCCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705539038 HZUHJRDKSLOSJC-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1705562982 OAUFKSIDYLFOFE-YVORESIASA-N 424.548 1.242 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705567637 XRMJSGWFJNSTQN-NVXWUHKLSA-N 419.507 1.491 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1Cc1cccc(OCC(N)=O)c1 1705586770 WCHOVYPNVAAWKT-UHFFFAOYSA-N 405.502 1.996 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1705587678 FCORBRGABODJFH-PMACEKPBSA-N 413.522 1.333 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1705612349 FJUMFHMTOQSQAQ-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCOC1 1705631198 WLNJRRHPWUEZQG-NRFANRHFSA-N 400.479 1.403 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nccs2)CC1 1705634988 ODNLOGMZBLPWDF-MRXNPFEDSA-N 404.540 1.457 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC 1705712816 IWFDRKYTBHJLSA-UHFFFAOYSA-N 408.484 1.805 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](CC)C1 1705927918 IVGAKLXTMCCFBL-LSDHHAIUSA-N 413.544 1.021 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 1706937674 QKFBYQDUKSLCBX-HZPDHXFCSA-N 407.540 1.879 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1712317668 BASNYMXHNKJEFS-OAQYLSRUSA-N 414.510 1.565 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCn2cncn2)CC1 1722448661 FSQVMTQELDCEGR-UHFFFAOYSA-N 424.534 1.188 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1722457468 YZZWXRRSDLBMDY-UHFFFAOYSA-N 406.533 1.555 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722620109 JDHUBXZRDRPCGK-UTKZUKDTSA-N 419.526 1.491 30 10 HDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1722623719 KZBCXXFHMHUGIG-UHFFFAOYSA-N 400.439 1.772 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1722681712 QVDYHTYAOPSUFO-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1722683017 XXDIOLSKBXUKGX-LSDHHAIUSA-N 413.544 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C1CCC(NC(C)=O)CC1 1722696779 AZNUBWHCEDVDJN-UHFFFAOYSA-N 411.510 1.526 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1730479685 GQUXRIIGUNXBRL-CZUORRHYSA-N 409.487 1.671 30 10 HDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1730927308 RYAVEXIJFCFOCP-UHFFFAOYSA-N 423.477 1.997 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1740609335 IWQIPMZTLGBLPE-CQSZACIVSA-N 408.911 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CC1(C(N)=O)CCOCC1 1740635868 MYQLGMFYNYQPFK-UHFFFAOYSA-N 405.502 1.862 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)CCCS2)CC1 1740689247 SNBTWVGUFIOZLO-HXUWFJFHSA-N 402.568 1.555 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1740694562 MZNDOZQJRVXZCI-XXBNENTESA-N 409.534 1.835 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1740731124 PDUWXTWWQKRMGZ-IQHHKKDSSA-N 424.592 1.474 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC(N)=O 1740792398 IHNDUSRQFNHQPE-ZDUSSCGKSA-N 404.471 1.299 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C/C=C\CC)CC1 1740838862 ADYPMQKYUVUISP-TUYSUELWSA-N 409.556 1.980 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1740941472 LSTJYAXWZQSOHK-INIZCTEOSA-N 400.483 1.353 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OCCC[C@H]2C1 1740950673 CLTLYCGGPRWEOF-DOTOQJQBSA-N 418.542 1.504 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740950675 CLTLYCGGPRWEOF-RDJZCZTQSA-N 418.542 1.504 30 10 HDEE C[C@H]1CCCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1743048753 NSLZEBJNLZNHEJ-LZICOFPGSA-N 422.493 1.888 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1747457161 PUODVTAQVFZLTL-GDLZYMKVSA-N 412.519 1.396 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(=O)NCC)CCC1 1748793330 GDJTYMUZJWEYEZ-UHFFFAOYSA-N 405.506 1.892 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749740786 JZGMPQQFSIMGTP-SFHVURJKSA-N 408.528 1.366 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)CC(F)(F)F 1750008695 PKXIWOJCJWRDRO-UONOGXRCSA-N 420.436 1.225 30 10 HDEE Cc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)no1 1751414647 GBXLIOHMUZQFJV-HTXNQAPBSA-N 422.449 1.732 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1757747848 NDDZGSMYAYYRPB-ZBRFXRBCSA-N 403.523 1.794 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)NC(=O)OC(C)(C)C 1760176248 DEWQOJMSEKTUEF-UHFFFAOYSA-N 404.515 1.773 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1760181273 RPXFKYKFAXFZBK-KQCIVJTHSA-N 422.551 1.523 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1760196604 VPUSJBUTKXRXFK-UHFFFAOYSA-N 414.271 1.185 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(=O)Nc1ccc(F)cc1 1760209201 YVHKVFAZXAVPRI-UHFFFAOYSA-N 410.453 1.657 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1760293225 QYEXJICFXHKMCM-WOJBJXKFSA-N 418.494 1.626 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N(C)C 1760293615 YHIRNGCKIGUPJO-LJQANCHMSA-N 402.524 1.532 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760322624 VLRHYIIIJBFCPA-JZXOWHBKSA-N 405.543 1.799 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1760355266 DFQRFIZYUPFENI-CQSZACIVSA-N 423.477 1.498 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1760513726 ZOICJAGTEFEVGG-UHFFFAOYSA-N 408.506 1.939 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCCCC1 1760516960 YSTGDDFJWKKRRZ-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760528382 ARYKQRRARLQVGQ-MRXNPFEDSA-N 420.514 1.489 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CCOC)C1 1760553438 CJOBZCRLKNQVDM-OAHLLOKOSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(C)C)C(=O)C1 1760557888 ZAKZXWMQWKLIRX-UHFFFAOYSA-N 409.556 1.136 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)[C@@H](C)C1 1760610234 WNDIZNVHWFIGPA-JXFKEZNVSA-N 424.505 1.679 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1766694097 URFOMOJDTMTFGI-MAUKXSAKSA-N 413.544 1.349 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1768424437 PNABMVBOWHQUEA-SJORKVTESA-N 416.526 1.549 30 10 HDEE CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(=O)ON3C(=O)c4ccccc4C3=O)cnc21 1772791718 XTIAYUVDASTSJP-UHFFFAOYSA-N 422.397 1.119 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)c(OC)c1 1772792320 KNSNHHTUYFTUSJ-LBPRGKRZSA-N 410.382 1.811 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(CCC#N)CC2)c1 1850858814 QCDCWHZOMXNQKC-IBGZPJMESA-N 406.552 1.746 30 10 HDEE CN1CCN(C(=O)c2ccc(NC(=O)Cc3cc4c(cc3C#N)OCO4)cc2)CC1 1852394842 RHABUYJJNXGTTA-UHFFFAOYSA-N 406.442 1.856 30 10 HDEE O=C(c1ccc(N2CCOCC2)nn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852792084 CECWBBWBPUASKE-UHFFFAOYSA-N 421.401 1.187 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1 1854599450 LVTLMAJLVFXLPX-OAHLLOKOSA-N 411.549 1.396 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1854751595 OGTTVIRMYZPPOF-IEBWSBKVSA-N 419.547 1.865 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCCn2ncccc2=O)CCN1Cc1ccc(C#N)cc1F 1855019214 KPIDEQUHTGHGTQ-HNNXBMFYSA-N 411.437 1.294 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC[C@@H](Oc4ncccn4)C3)CC2=O)cc1 1855717428 XNRILIGJYSEEOL-IEBWSBKVSA-N 405.458 1.880 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2=O)CC1 1855961949 YLQKOBJKHNASLH-RTBURBONSA-N 411.506 1.552 30 10 HDEE CC(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1 1855980609 FVDRLDADRBTOII-UHFFFAOYSA-N 407.492 1.492 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@H](F)CC3CCC3)C2)C1 1856386210 LZYHCHSTVGQDNN-DOTOQJQBSA-N 400.454 1.920 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCc2cnc(C)s2)C1=O 1856721371 IUWMTJVUGMDNGZ-IRXDYDNUSA-N 404.536 1.620 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1856809471 XVKCSRLVTHOWEH-TZMCWYRMSA-N 414.867 1.222 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3nnc(-c4ccc(F)cc4)o3)C2)CC1=O 1856829530 DMRKWPFFUMXXFY-MRXNPFEDSA-N 412.425 1.034 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)C[C@H]4CCOC4)C3=O)CC2)c1 1857015537 MWXANFYAUPTAFY-MOPGFXCFSA-N 412.490 1.598 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1857360180 IHISSBABDKBXCA-GOSISDBHSA-N 403.504 1.127 30 10 HDEE Cc1cnc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)cn1 1857465197 LMFLFNUKFZJGEU-OAHLLOKOSA-N 406.446 1.194 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(=O)o3)C2)C1 1857465275 MYECRRJKTYEKFZ-AWEZNQCLSA-N 408.414 1.048 30 10 HDEE COc1ccccc1CN1C[C@H](CNS(=O)(=O)c2ccccc2C#N)OC1=O 1858027344 FDMNYSCZHQXHDP-INIZCTEOSA-N 401.444 1.866 30 10 HDEE CN(C)c1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 1873528732 FYXDSAHGFHLMGO-MRGVZLDZSA-N 409.899 1.768 30 10 HDEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873591093 DKLFLAQJJYPQCT-UHFFFAOYSA-N 401.467 1.337 30 10 HDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccccc4F)CC3)ncnc21 1873595936 YQHUXDWCANCPAT-UHFFFAOYSA-N 424.480 1.805 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1 1890102952 XRDRVOPQBJTONC-KRWDZBQOSA-N 406.490 1.903 30 10 HDEE N#Cc1cncc(C2=CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 1890977110 ZDXAWYCKFKLLIL-UHFFFAOYSA-N 400.504 1.773 30 10 HDEE C#CC[C@@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 1984835941 ORPAIOZXAVVBOO-VGOFRKELSA-N 415.490 1.749 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1cc(C#N)ccc1Cl 2124712143 ANLHLHIBJFIRMY-INIZCTEOSA-N 403.888 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1C(F)F 2174788083 ASWCHKBVIVGZLK-PWSUYJOCSA-N 402.423 1.732 30 10 HDEE CCCN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2235505367 MCMPHYNSKZZAFA-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CO1 2243677722 ZKKOQMILAQBSQQ-CABCVRRESA-N 408.304 1.667 30 10 HDEE CC1(C)OB(c2ccnc(N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2F)OC1(C)C 2247297281 VLTKFJXHMUFHGQ-WDEREUQCSA-N 415.196 1.872 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1C#N 2258193213 DSFDAXMUFANYHB-LBPRGKRZSA-N 411.430 1.872 30 10 HDEE Cc1ccc(NS(=O)(=O)C2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2277960923 NLJDOHZMOIDZOS-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2281827502 WTESWVJGJVYCRG-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CS(C)(=O)=O 2281965496 CFHBRLZCQWFOFE-UHFFFAOYSA-N 402.347 1.304 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCCS(=O)(=O)C(F)F)s2)OC1(C)C 2282194077 UZORPAWHLZEFHT-UHFFFAOYSA-N 409.285 1.805 30 10 HDEE C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329073 HOKVGFUAMMADMC-OCCSQVGLSA-N 400.375 1.760 30 10 HDEE CN([C@@H]1CCC[C@H](N)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333562 QDGIYJZUJSINBV-UONOGXRCSA-N 400.375 1.938 30 10 HDEE CN(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335267 NFEMJVNXUMMFBJ-UONOGXRCSA-N 400.375 1.808 30 10 HDEE CC1(C)C[C@H](N)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335449 PRVHKGLXPVMIAD-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CNC1CCC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282341922 ZOXYHAIUZAPPFM-UHFFFAOYSA-N 400.375 1.856 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1sccc1Cl 2282346843 QTEAFBDZZIKYTK-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CCN1CC[C@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282423493 PLWHAPPSRONVCP-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE COC[C@H](C)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501978 DYRPHTWNKUIHFK-NWDGAFQWSA-N 404.363 1.533 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282533212 INTUDXINWDPRKM-CYBMUJFWSA-N 417.383 1.607 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1F 2282829320 CRYYNKQINKXWEQ-NWDGAFQWSA-N 404.338 1.952 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2csc(Cl)c2)n1 2282830552 WDWLGTRFHIESBD-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CN(C)C(=O)CCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849275 YWYGJSFUJGOKRI-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@](C)(CO)C3)c2)OC1(C)C 2282849459 BOYRSBKHRPWNJQ-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CC1(C)CCN[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282856886 ZWDWAESXMNMBPB-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC[C@H]2CC(=O)O)OC1(C)C 2284413529 LNMQUNDVSHZOQW-CMPLNLGQSA-N 401.315 1.579 30 10 HDEE O=S(=O)(N=C1C=C2N(CCO)CCO[C@]2(O)c2ccccc21)c1ccc(F)cc1 2293103969 XBSIFSAFRVJCRF-HXUWFJFHSA-N 418.446 1.371 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCN1C(=O)OC(C)(C)C 2300230751 NVOLJUWSYUUGRU-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE C=C[C@@]1(O)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316808567 FQJOLCYYZVLMTA-HXUWFJFHSA-N 406.504 1.796 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1nc(Br)nn1CCOC 2328460163 UGMIJPZGDNGBKZ-VXGBXAGGSA-N 416.320 1.864 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccco1 2330748501 WCMDFEIUQGZTRP-UHFFFAOYSA-N 402.436 1.391 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367786432 ICMOBTXBTIYLSC-ILXRZTDVSA-N 401.525 1.779 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367791126 XRKCYCGTMMDGOF-OWCLPIDISA-N 400.541 1.556 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367791680 YRDBXPBZTVZFAN-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCCNC(=O)OC(C)(C)C 2367818973 NWMPBGSEURDPAV-CRAIPNDOSA-N 402.557 1.601 30 10 HDEE N#C[C@@H]1CN(C2(C(=O)O)CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 2371366056 OLCIYOUMIGJSRD-LJQANCHMSA-N 412.490 1.915 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccccc2N2CCOCC2)CC1 62562731 QSUQQMNNPLRNGR-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE CON=C(C(=O)NN1CC(=O)S[C@H]1c1ccccn1)c1csc(NC(C)=O)c1 254525142 YLCLQZCNKQQEQS-KRWDZBQOSA-N 419.488 1.757 30 10 HDEE COc1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)cc1OC(C)=O 254853373 PSQUJUPPVBITPG-UHFFFAOYSA-N 417.443 1.398 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 429299836 GUSKWKJOUOMOLH-UOVPBQLFSA-N 400.479 1.924 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1C#N 435830800 JWROEJWBGKPWLG-QGZVFWFLSA-N 414.462 1.180 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)o2)c1=O 440375156 CRZWGLBRPMGDSK-UHFFFAOYSA-N 417.446 1.955 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC2CCC(C#N)CC2)cc1 441684411 GXSDQBTWTVJVOO-UHFFFAOYSA-N 406.508 1.760 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)ccc1Cl 460488693 HVEPAQVBGLPYGU-UHFFFAOYSA-N 417.940 1.095 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)C1=O 466521726 ZKTBHDHXIGHQDB-MRXNPFEDSA-N 401.511 1.325 30 10 HDEE CN1CCCC[C@H]1CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 472119891 JZCJFNMJAJAEAJ-HNNXBMFYSA-N 407.496 1.257 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(C#N)ccc1Cl 476415857 DFZCHGJINVMCLW-GBOPCIDUSA-N 412.851 1.325 30 10 HDEE COc1ccc(-c2noc(=O)n2CCS(=O)(=O)c2ccc(C#N)cc2)cc1OC 481277316 KSFQSRDEWZWZJQ-UHFFFAOYSA-N 415.427 1.866 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@@H](C(N)=O)CC[C@@H]2C)c(C#N)cn1CCOC 481338472 BTRSKCVCZXOSGI-STQMWFEESA-N 405.455 1.301 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)[C@H](C(N)=O)c2cccc(Br)c2)cc1C#N 489667493 OZZCZCFJAOEABU-HNNXBMFYSA-N 423.292 1.871 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)cc1C#N 489693234 VFUSLVYVRVGFSM-UHFFFAOYSA-N 422.532 1.675 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCc1ccc(CNC(=O)c2cc(C#N)cn2C)cc1 496628860 JLMDIFSWPHRCHW-UHFFFAOYSA-N 400.442 1.967 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)Cc3noc(C)c3C#N)CC2)c(OC)c1 499580829 JUWKCZBTCQSHMW-UHFFFAOYSA-N 412.446 1.835 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2occ3c2CCOC3)CC1 505124541 KCJJETMVZJLKGN-UHFFFAOYSA-N 401.444 1.371 30 10 HDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1OC 509461438 DGCDYOPGYHNASK-UHFFFAOYSA-N 423.878 1.937 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 525102635 XEERKGLZVPKFAN-HXUWFJFHSA-N 412.494 1.475 30 10 HDEE N#Cc1c(CCCNC(=O)C2(N3CCOCC3)CCC2)nn(-c2ccccc2)c1N 536091708 DTDYQEQNFYWWKK-UHFFFAOYSA-N 408.506 1.630 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 536344155 VBODABAJEBDEAP-IAGOWNOFSA-N 412.533 1.000 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)c1 548536993 DOCPEQOOIPFNEQ-RNCFNFMXSA-N 403.254 1.479 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1-n1cccn1 555059335 LSCOHWDOAQJAHA-OAHLLOKOSA-N 409.471 1.900 30 10 HDEE C[C@@H](c1ccccc1)N(C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555583811 ICBRBPPIKZLTCW-JXFKEZNVSA-N 404.470 1.995 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(OC)CC1 568918332 BXBOWYDLTPEUMO-CRAIPNDOSA-N 413.544 1.192 30 10 HDEE N#Cc1csc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)n1 573413100 SCSWVIFASSFUKE-UHFFFAOYSA-N 420.516 1.683 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 583531846 YUNQHAIDYORBFV-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE CN(C)C(=O)[C@@H](N)CCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C 585662528 WYCLZUZPOUVEQX-ZDUSSCGKSA-N 415.535 1.978 30 10 HDEE COc1ccc(S(=O)(=O)N(CCNC(C)=O)Cc2cccc(C#N)c2)cc1OC 586172006 IZZOOAZLQNSRBN-UHFFFAOYSA-N 417.487 1.902 30 10 HDEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCc1ccc(C#N)cc1F 586864895 PPTQLIZLWLZJRI-INIZCTEOSA-N 417.462 1.682 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cn1 610187732 CTCGWEQZMWQDGQ-INIZCTEOSA-N 416.507 1.011 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C[C@@H](C)C#N)C3CC3)c2)CC1 611086516 GJZXKHZOESOKFG-HNNXBMFYSA-N 418.519 1.304 30 10 HDEE Cn1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc(Br)c1=O 611360608 JYBKSOFTXXMMBD-UHFFFAOYSA-N 407.199 1.413 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 619695679 IDUSICKRRKWKOU-BTYIYWSLSA-N 410.478 1.369 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804701 SCIGAUGCCTVRHJ-PXNSSMCTSA-N 409.538 1.905 30 10 HDEE C#CCN(CC(=O)NCCOc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 731213877 YFTJKELRUKSVCL-HNNXBMFYSA-N 418.437 1.323 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cc3ccccc3nc2OCCC)CC1 731629625 GUYFCCKQHUUGLZ-KTKRTIGZSA-N 420.513 1.930 30 10 HDEE C[C@H](CC(=O)N1CCC(c2ncc[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742601638 ZOTFNCNNBIZJLC-CYBMUJFWSA-N 401.492 1.633 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@]12CCC(=O)N1CCS2 744572437 GTVMCVRARZGVNF-JLTOFOAXSA-N 417.487 1.939 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc3c(c2)C(=O)N(CC=C)C3=O)c1 749509546 VFDOFNMWNRHMOI-UHFFFAOYSA-N 401.422 1.843 30 10 HDEE COC(=O)c1cc(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)cn2C)cc(C(=O)OC)c1 751725336 VMKQFYIYHYYMCS-LLVKDONJSA-N 413.386 1.654 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 758750626 GNOKHRZGJVIMDJ-DLBZAZTESA-N 400.479 1.909 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 767705659 RPFGRMJOJMXPCH-RBZFPXEDSA-N 403.435 1.639 30 10 HDEE C#CCN(C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1 774207924 CAUOAXFXMDIUEW-OAHLLOKOSA-N 422.894 1.764 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3CC#N)cc2)CC1 776753328 SYILPPCGVNXOER-UHFFFAOYSA-N 412.515 1.870 30 10 HDEE CC(C)[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 777177607 NPXLAKJORCDLPB-IRXDYDNUSA-N 404.488 1.726 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC2(CC2)C1 782844912 FPFXISVGDOCDQN-MRXNPFEDSA-N 405.520 1.779 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 783026953 YWFCIWUIBKHVJY-PMPSAXMXSA-N 413.540 1.654 30 10 HDEE C[C@H](C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)n1cnc(C#N)n1 791121351 TWUCEJYRPIMXEI-MPBGBICISA-N 407.434 1.252 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(C(F)(F)F)c1 792163049 FVRHRRSOXPTYGY-HNNXBMFYSA-N 416.425 1.889 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 794639216 IWEKSTUMHJYBHI-CQSZACIVSA-N 411.439 1.038 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=CC=CN2CCS(=O)(=O)N=C12 809359051 MURBGLXKHWRXTI-UHFFFAOYSA-N 400.460 1.031 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1)c1ccc(F)cc1 812940568 WFZRDPORFGEILV-MRXNPFEDSA-N 410.467 1.652 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cccnc2C#N)c1 813163788 QCPFZDWODOJXPU-UHFFFAOYSA-N 409.851 1.888 30 10 HDEE COCc1nc(Cl)cc(NN=C(C)c2ccc(S(=O)(=O)CC(N)=O)cc2)n1 814978851 XYSHHRJERDCVIA-UHFFFAOYSA-N 411.871 1.372 30 10 HDEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1130744850 JOJQSSUVMFQBAR-SFHVURJKSA-N 405.520 1.986 30 10 HDEE Cc1cc(NCCNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n2ncnc2n1 1137124627 PZGFSAHLWGATQS-HNNXBMFYSA-N 408.441 1.498 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2NC1=O 1141380639 XBGIDNQQFWSFPX-HUUCEWRRSA-N 418.450 1.185 30 10 HDEE CC(C)(CO)[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1156865250 AOJLSCQRQSEKIQ-LJQANCHMSA-N 401.488 1.713 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC=CCN3C(=O)OC(C)(C)C)CC2)o1 1174883173 QLAHFZCGEHEJLY-UHFFFAOYSA-N 416.482 1.527 30 10 HDEE CC(C)(c1nnn(CC(=O)N(CCC#N)c2cccc(Cl)c2)n1)S(C)(=O)=O 1190236324 YGRVXCIGZFCMPV-UHFFFAOYSA-N 410.887 1.553 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)cc(C(F)(F)F)c1 1208448848 BFPXTXDMJSNASX-LBPRGKRZSA-N 411.423 1.525 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnn(C)c1I)c1ccc(F)cc1 1211945785 DGCZUSOBWVCACG-LLVKDONJSA-N 419.219 1.817 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2)c1 1246022350 HSJCQHQXNYCVHK-UHFFFAOYSA-N 405.462 1.515 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)C1 1254564375 GNEKQPFANJEHRC-SECBINFHSA-N 402.270 1.997 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1261222295 DDNGCDJASFPXHY-RABMLOOZSA-N 401.438 1.496 30 10 HDEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)c1 1274999384 BUPXLVMFSSPYPQ-CQSZACIVSA-N 420.425 1.914 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1279061529 IAFNCMGSBFIWEL-SUMDDJOVSA-N 403.527 1.695 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1286277863 ILFKSRILPXQXLJ-HZPDHXFCSA-N 419.551 1.906 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1286304807 XTKKUTDWXPEZAJ-HNNXBMFYSA-N 404.540 1.565 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286361021 YFMKRKDZZUCRMV-OAQYLSRUSA-N 419.526 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1286369874 CNQBPOGGTCUPQV-UHFFFAOYSA-N 418.505 1.097 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)Cc1cccc(F)c1 1286379307 NAFYZMZGVSVCCF-UHFFFAOYSA-N 423.496 1.707 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286385710 ZELBJCOHWJIESM-ZHALLVOQSA-N 407.584 1.581 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286391425 DKDISRQQUBFIEZ-MRXNPFEDSA-N 420.510 1.406 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1286484754 WZAJQAKYTGRBSQ-GOSISDBHSA-N 408.506 1.199 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1286600009 GUXNENJAPHDUSD-UHFFFAOYSA-N 412.538 1.618 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1286971366 VRINNMYYSQDETF-LIRRHRJNSA-N 418.523 1.671 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CSc1nnnn1CC(F)(F)F)C(=O)OCC 1287778064 QSSZQHGUHCZGGL-QMMMGPOBSA-N 401.798 1.518 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCC(=O)NC(C)(C)C 1288097678 DCQMGRXDVBAJRD-UHFFFAOYSA-N 403.531 1.851 30 10 HDEE CO[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1C(F)(F)F 1289207432 TXZGWDHXYHHIIX-PJODQICGSA-N 402.394 1.790 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1297686052 FJQVNUHNJMJWOJ-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1297800878 DWAOREMGGSGLHY-AWEZNQCLSA-N 401.916 1.579 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1300357835 YZFXEADGHNMDHL-IAGOWNOFSA-N 400.527 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC12CCOCC2 1300506794 ZDVNAZVQRKDWCZ-KRWDZBQOSA-N 404.474 1.815 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1300890783 HUVRMXGUSVEVQB-HKUYNNGSSA-N 418.567 1.690 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1301394529 OZUCBYFJECTFMB-UHFFFAOYSA-N 421.567 1.936 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301477794 FKCSYUUYJQQMOH-NVXWUHKLSA-N 402.543 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1301569298 VGMBMZUTARIGKL-OAHLLOKOSA-N 405.528 1.109 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1301725444 OONMYAHHRXTTRK-SFHVURJKSA-N 421.505 1.400 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1302838112 YIEISYOHYCXGTF-OAHLLOKOSA-N 406.280 1.353 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1302954274 JYBNPDKNVVIDLD-OALUTQOASA-N 402.543 1.849 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1303698523 LIYBWWNNJOPBGO-CQSZACIVSA-N 403.545 1.776 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1306890673 YKULQFHCAUGVJS-CYBMUJFWSA-N 417.466 1.005 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1310874579 KTIMREPKRWCFJV-NSHDSACASA-N 400.248 1.931 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1314682666 VNKWMNSQEQMVTJ-QZTJIDSGSA-N 413.503 1.785 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CSCCS1 1316100907 ADKBFSSCIRYHPU-HNNXBMFYSA-N 424.596 1.616 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1cnn(C)c1 1358924034 KAAUYGWMKRNPTR-UHFFFAOYSA-N 402.466 1.704 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)Cc1ccccc1 1358946969 ODGAMFRQHIAHIU-UHFFFAOYSA-N 420.473 1.734 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1358952869 AWONYMBTRLEKFQ-SFHVURJKSA-N 408.506 1.766 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cn[nH]c2)CC1 1359042689 QCDRSZKTCHJIMS-UHFFFAOYSA-N 407.478 1.778 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1359142090 APINOIWJTPXHPG-GFCCVEGCSA-N 415.951 1.628 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)[C@H](C)C1 1359297053 CSLXZUXZTOZJCS-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(c2nc(C)no2)CC1 1359298213 RJJHWIJASRQCJZ-UHFFFAOYSA-N 408.466 1.718 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(F)(F)CO2)C1 1359310822 IAMUOBPDDQDIJZ-GJZGRUSLSA-N 411.453 1.720 30 10 HDEE CC(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1359642796 DKNFHFBKIKTWOX-AWEZNQCLSA-N 417.539 1.780 30 10 HDEE C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N)N1CCOCC1 1360552987 GEWZZFDFHSWDNB-GJZGRUSLSA-N 415.498 1.465 30 10 HDEE Cn1ncc(Br)c1CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1435127178 CKSOOUQUVBZOBT-HNNXBMFYSA-N 402.296 1.962 30 10 HDEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C1CCOCC1 1437878276 SCQDQZKTNMIUBW-KRWDZBQOSA-N 408.520 1.884 30 10 HDEE CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1439794940 IZYXTCGYJHWSBO-HXPMCKFVSA-N 407.467 1.821 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCC(=O)OC 1442562042 OCIQUGXOMAIYNW-OAHLLOKOSA-N 409.508 1.743 30 10 HDEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)CC1 1444680703 HVTNMDBGDOPHLT-UHFFFAOYSA-N 405.520 1.394 30 10 HDEE Cc1ccc(C(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1445240330 RPJUJUOBUMGNGU-GOSISDBHSA-N 416.327 1.695 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H]([C@H]3CCCO3)C2)s1 1446051201 QRHHBIURSHXPHE-CABCVRRESA-N 400.522 1.161 30 10 HDEE COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1446862509 BBWXPUDGNAITBB-ACWOFJMJSA-N 407.492 1.463 30 10 HDEE C#CCN(CC(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1)C(=O)OC(C)(C)C 1447511770 NIKWCTWXSTUOKS-UHFFFAOYSA-N 405.455 1.099 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC)cc2OC)c1 1453736049 IPJNBYCDKRLVOB-UHFFFAOYSA-N 403.460 1.771 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1460557694 LBVFVWWQZOKDIX-ZDUSSCGKSA-N 400.433 1.914 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2nnc3c(=O)n(C)ccn23)c1 1460760723 QZJAMABQQBSNGV-KRWDZBQOSA-N 421.505 1.812 30 10 HDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N 1460914175 KYAIBGVMDARHKC-KRWDZBQOSA-N 407.515 1.600 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCCCNC1=O 1464649919 RKQZJGLOPAQRNO-FMPZLKCCSA-N 404.511 1.900 30 10 HDEE CN1CCC(N2CC[C@H](NC(=O)COc3cccc(Br)c3C#N)C2)CC1 1465000493 GHVURRAWXLWBRQ-AWEZNQCLSA-N 421.339 1.984 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1nc(C)cs1)C(F)(F)F)c1cc[nH]n1 1468534627 CUPZRGZCZIVSSQ-GFCCVEGCSA-N 419.385 1.878 30 10 HDEE C#C[C@@H](NC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCOCC1 1468717284 UTRODIAFCFULOR-NHCUHLMSSA-N 412.534 1.612 30 10 HDEE CC[C@@H](C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1469319197 FGQJYPSBPLZDEA-QAPCUYQASA-N 407.536 1.872 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 1470774787 FGRNECGHICBSML-HHHXNRCGSA-N 406.405 1.840 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1472151047 SLDPRYIVFZZPEJ-UHFFFAOYSA-N 406.460 1.032 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 1473526451 GETRIIOVGZENCY-RBUKOAKNSA-N 422.570 1.685 30 10 HDEE COC(=O)[C@@](C)(NCC#CCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 1473696288 HDDLTVOKDSYXGW-QFIPXVFZSA-N 421.409 1.872 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)c1 1475413544 CKAJXTSCEATVHA-NSHDSACASA-N 409.489 1.885 30 10 HDEE Cn1ccn2c(CNC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)nnc2c1=O 1479181291 XWYZTGNSXHZILJ-UHFFFAOYSA-N 407.434 1.053 30 10 HDEE COc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1C#N 1479184138 NMFYHMNBBWTHSI-UHFFFAOYSA-N 411.437 1.837 30 10 HDEE C[C@@H]1C[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCO1 1493324883 APXUOHYKLMJFPN-PVAVHDDUSA-N 407.540 1.735 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)c(OC)c1 1504183498 BFKADJGJAKYJJD-XCLFUZPHSA-N 414.441 1.683 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2)OC 1504600466 ZILYZMOIJMYNQZ-YTQUADARSA-N 413.478 1.758 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC1CC1 1504972523 GXWDXZHMWYFYBW-QRWLVFNGSA-N 404.515 1.658 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1505072436 FVLQXFNELVRFDF-HUTLKBDOSA-N 419.526 1.672 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1507617595 WPUWDKWNLRZXJV-ROUUACIJSA-N 407.584 1.762 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1507633544 HDVSCQDKPRGJCB-INIZCTEOSA-N 406.483 1.685 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634571 ZEDOVEMBTDKNDB-YLJYHZDGSA-N 406.552 1.723 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1ncn(C)n1 1507703383 WBGBEVPTKVUGGY-HNNXBMFYSA-N 413.457 1.820 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@H](O)C1 1507704277 WEFMPFGLOJZIKG-IPJJNNNSSA-N 420.554 1.956 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1507773377 QWPYCCBXMTVCOR-YLJYHZDGSA-N 406.552 1.989 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508076981 JGCCBHGEIHIKFS-CQSZACIVSA-N 407.496 1.162 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1514205222 UYULXRWUPAABAF-CHYADLBTSA-N 422.555 1.707 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccnc(N3CCOCC3)n2)cc1 1515903068 UPAAAJLZYUBANZ-UHFFFAOYSA-N 417.491 1.372 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(NC(=O)CCn3ccnc3)c2)CC1 1532528671 CIZVPEZJYPSBDU-UHFFFAOYSA-N 409.446 1.831 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC 1535347131 PBWRHRQSGZRCQQ-HNNXBMFYSA-N 410.492 1.717 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)CC2=O)cc1 1536867967 VNEUZVXQLUANLA-WMZOPIPTSA-N 401.488 1.337 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OCC 1537004173 SFVMMPDKEDDSHC-MRXNPFEDSA-N 410.492 1.176 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1539002358 CGUVSAZRZKOROK-HNNXBMFYSA-N 417.477 1.425 30 10 HDEE CC1(C)OC[C@@H]2C[C@]21NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1539152143 SRATVRBRHDEIJK-JXFKEZNVSA-N 403.504 1.643 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1c(F)cccc1F)[C@@H]1CCS(=O)(=O)C1 1539220710 UXPRPVWVVRGPHI-CQSZACIVSA-N 408.474 1.988 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1539245449 HHWSPSWUWMWDQE-MRXNPFEDSA-N 423.473 1.322 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1539417736 RPMJRFFNFZYUHV-QGZVFWFLSA-N 420.510 1.529 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1539626259 BZZIIZIJRLPHAP-ZWKOTPCHSA-N 411.510 1.783 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1540891924 BVPJLVZUNDDQAO-HZPDHXFCSA-N 410.540 1.267 30 10 HDEE Cc1csc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)n1 1542870152 CHPKAMBGEARYFQ-UHFFFAOYSA-N 409.475 1.478 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1554165561 YLLYEGJFRBGKTH-DLBZAZTESA-N 423.477 1.626 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1554482662 GIWXBLOUSANPRI-KRWDZBQOSA-N 404.478 1.680 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1556382090 UDURQUNUHOHDHS-MGPUTAFESA-N 407.467 1.836 30 10 HDEE CC(C)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](O)c1ccc(Cl)cc1 1557671667 LDQFUWAHTSFGSC-DLBZAZTESA-N 404.854 1.738 30 10 HDEE N#CCC1(CS(=O)(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1561167410 BYDKZMILAIRTNC-UHFFFAOYSA-N 411.549 1.974 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1565156945 VHAVUPUAVHYBCM-MSOLQXFVSA-N 407.898 1.920 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)n2)c(Cl)c1 1566763992 HVUKKVXWQLVHHG-LBPRGKRZSA-N 408.871 1.251 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(CS(C)(=O)=O)CC2)CC1 1569539074 ROYOLNQCPBJNPK-UHFFFAOYSA-N 412.552 1.920 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1569839267 JAIZXBIHCFTLCW-ZDUSSCGKSA-N 403.957 1.626 30 10 HDEE Cn1cnc(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1570166183 AFMBPNYHFQEDRE-UHFFFAOYSA-N 403.508 1.378 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCO[C@H](C#N)C3)cnn2c1 1584955997 GBAUWDKIJUQEJH-CQSZACIVSA-N 400.439 1.161 30 10 HDEE COc1nc(C)cc(C)c1CN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1585651082 UWHPQYSACBYEAB-UHFFFAOYSA-N 402.476 1.516 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)OC)c1 1587213435 PXKAULQORYSWPW-RHSMWYFYSA-N 410.492 1.239 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1587551044 YHUYOMIXBWBVAN-OAHLLOKOSA-N 404.515 1.887 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1587803467 BTVOZMCIARJLKZ-MRXNPFEDSA-N 415.498 1.879 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C)n(C)c1=O 1588020000 BJKHTFQZIGWMHN-UHFFFAOYSA-N 407.474 1.991 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1588020436 NIOSMXWTEVWEHK-CVEARBPZSA-N 405.499 1.835 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(C)o3)nc2C)CC1 1588198980 DDWOLCZULFVDLS-UHFFFAOYSA-N 408.505 1.245 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H]1COCCO1 1588258873 KMFWSHBWITVUJX-OTWHNJEPSA-N 402.495 1.271 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CSCCS2)CC1 1588811664 LSMITCGGBCRDAF-IAGOWNOFSA-N 407.609 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOCC(=C)C)CC1 1588955263 UEISLKJMLTXFBA-UHFFFAOYSA-N 422.533 1.822 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594784021 ONCFFRDBNPEWEJ-MRXNPFEDSA-N 404.515 1.761 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H]2C[C@H]1CO2 1595489250 DRGLFTIRAXDYIV-STQMWFEESA-N 421.299 1.706 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595797437 GLUGFVBJFMKERS-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)C1 1595812721 ZXLZITOOQKNWHH-INIZCTEOSA-N 414.535 1.964 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1598278374 DJGRDAXEIHHKMU-GUXCAODWSA-N 403.506 1.792 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1611308929 WGTMYZSLLBXTLC-ZWKOTPCHSA-N 403.575 1.936 30 10 HDEE C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1)N(C)C 1611490170 BPFIWEXHLUDLSH-GXTWGEPZSA-N 422.331 1.725 30 10 HDEE CSc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1-c1ccccc1 1616329471 SMRDQEYPEIVFKI-SCLBCKFNSA-N 402.501 1.605 30 10 HDEE C[S@](=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1620178427 GCNCGCDETVFAOP-KIEFCZNCSA-N 404.540 1.660 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)N=[S@@](=O)(c2ccccc2)N(C)C)n1 1622097081 MNRONMJHRPLFJQ-SANMLTNESA-N 409.537 1.587 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1624818981 CKCOGMAWGFWVPP-BZUAXINKSA-N 408.499 1.137 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1629671756 AHIXZPKSIKJCLP-UHFFFAOYSA-N 419.547 1.298 30 10 HDEE C=C(Br)CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1630507048 STQKOIZERXNOJO-SECBINFHSA-N 404.062 1.915 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3cccc(C)c3)C2)c1 1630995328 NROGHVPLIWJMOR-HXUWFJFHSA-N 411.527 1.911 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC)[C@@H](O)C(F)(F)F)s1 1631958769 ZUEQQPXOXSIKJW-GXFFZTMASA-N 400.444 1.573 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCO[C@H]3C(=O)OC)ccc2c1=O 1632310310 DKXCUABDXWNMFB-IUODEOHRSA-N 403.460 1.179 30 10 HDEE C=CC[C@]1(C(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1633437919 LNWLRHVYNPDLLK-HXUWFJFHSA-N 416.482 1.722 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1634016494 YMTNFBYKWSDJTE-QZTJIDSGSA-N 406.571 1.380 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CO)C3CCOCC3)C2)C1 1634335113 JBJIDYMYOOUOBS-CXIVCQEWSA-N 407.511 1.677 30 10 HDEE C=CC[C@@]1(C(=O)NCC2(S(N)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 1634941405 YDDKFAYSBMUUID-SFHVURJKSA-N 401.529 1.660 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc3ncc(I)n3c2)CC1 1635160469 NTUVFNBSLZAKKW-UHFFFAOYSA-N 408.243 1.766 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(Br)cn1 1636454764 WZRPEYCRXXLONN-SNVBAGLBSA-N 424.280 1.094 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccccc3C)nc2C)CC1 1636479516 CDOWCMAEWDOQMC-UHFFFAOYSA-N 418.544 1.652 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC([C@H](F)C(=O)OCC)C2)s1 1636523670 IGHFYSXDZRHPJZ-HNNXBMFYSA-N 404.485 1.115 30 10 HDEE CN1C[C@H](N(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC1=O 1637952190 JYMLQQHLZDTUKG-KXSVDRQTSA-N 404.511 1.852 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1638905870 FPQBBMUYWJSGKD-YSJWXEPDSA-N 424.505 1.857 30 10 HDEE Cn1c(Sc2ncc(C#N)cc2Br)nnc1[C@H]1CCS(=O)(=O)C1 1639213354 HLIUWTXDORHHJO-VIFPVBQESA-N 414.310 1.898 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1640082133 OSNKELZRBBWEAB-GOSISDBHSA-N 408.296 1.757 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1641583461 VDZDPKSGAXUCGH-INIZCTEOSA-N 420.487 1.617 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 1642226669 JYBQVLMPEANHSM-UHFFFAOYSA-N 411.443 1.845 30 10 HDEE Cc1cc(Br)c2c(c1)CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1643527775 UNLVXDPZXUWLDS-UHFFFAOYSA-N 403.236 1.476 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(CC#N)cc2)c1 1643627964 SKTMCKWGXBHFAH-UHFFFAOYSA-N 401.488 1.916 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 1643991209 ANSURNJKRXKZKO-HXUWFJFHSA-N 423.517 1.804 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1CCN(CC(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644357636 COEFJNZTTVCZKZ-OLZOCXBDSA-N 414.478 1.207 30 10 HDEE COc1cc(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 1648179071 FFOLMCKWUAVKRR-UHFFFAOYSA-N 403.460 1.213 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653073222 VHDISGARPQKXLN-BKEDOTJMSA-N 411.524 1.276 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@@H](CS(C)(=O)=O)C1 1655740656 ZLTANQBZYVSJIZ-HUUCEWRRSA-N 411.549 1.765 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1660652314 WCXMXFBVXAXJSR-BFYDXBDKSA-N 418.437 1.739 30 10 HDEE CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1CC#N 1663314891 GGDJFMKQZRLFLJ-CQSZACIVSA-N 409.508 1.610 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1664948819 CBEGTAIWDIFQTI-SECBINFHSA-N 407.242 1.337 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1675617823 MKGKSOZBCGOTKW-INIZCTEOSA-N 420.535 1.651 30 10 HDEE C=CC[C@H](CO)CNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1684430920 BUMQFJMQPPBRPB-GJZGRUSLSA-N 405.499 1.758 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689856544 SJUDSYGRROETDD-UYAOXDASSA-N 423.565 1.665 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1689940118 OBBBKGHEUUHWBI-GOSISDBHSA-N 413.478 1.230 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1Cc1nnn(C)n1 1689951390 VYEMSRFTRZVPNA-UHFFFAOYSA-N 417.271 1.357 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689989388 FEKZKCVLVGZDQH-ZACQAIPSSA-N 410.540 1.224 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1690083006 WSZMVRGAOYFEOB-UHFFFAOYSA-N 408.550 1.687 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1690497486 RCTPJDQFWCWVSR-CABCVRRESA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690667896 LPPOGRQGXIANEE-INIZCTEOSA-N 413.526 1.327 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC(C)(C)[C@H]2C)n1Cc1ccc(C#N)o1 1692881666 WVQSVNRMMIKBHW-QWHCGFSZSA-N 422.511 1.405 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695912737 OOFSFHQJFMDBNA-UHFFFAOYSA-N 409.494 1.853 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1696898065 BBRGRFIIIKFZTP-UHFFFAOYSA-N 424.553 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1705494940 INJXUDCBHRUXAV-ARFHVFGLSA-N 400.504 1.814 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@]1(O)CCOC1 1705544792 DLKVIIALKSDZPM-GOSISDBHSA-N 421.295 1.937 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(SC)CCOCC1 1705587693 FSJIUEPNIRKFLY-ROUUACIJSA-N 418.563 1.987 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN(C)C(=O)OC(C)(C)C 1705626621 CUMIBLNPKYFBLT-UHFFFAOYSA-N 417.514 1.632 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H]1COCCO1 1705629560 MJLRVEDIPFHKNZ-LJQANCHMSA-N 424.505 1.408 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2c(CC)nn(C)c2OC)CC1 1705640349 NZXUBYAPNIUEQL-UHFFFAOYSA-N 413.570 1.975 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705830891 XPXMEOLMYMQTOH-WNRNVDISSA-N 424.567 1.492 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1705890793 IVSLLWHWQVIZCO-ZDUSSCGKSA-N 405.471 1.279 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705891439 FQDOFIVOROQYDH-INIZCTEOSA-N 401.478 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705902766 MXHXJOJTJUUHMI-OAQYLSRUSA-N 414.510 1.450 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nnn(C)n2)C1 1705928854 IHEFKVOFMZVMRW-QGZVFWFLSA-N 410.482 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705935745 CLMROLDARKVWHM-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1706316241 QFABVTIECSHHIN-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1711001073 GLZGJUQUXZTNPY-WIYYLYMNSA-N 423.546 1.983 30 10 HDEE CO[C@]1(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1711632741 IWCDUIUVNLZGSY-VDGAXYAQSA-N 407.515 1.863 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1722365578 OJTFRBLMEOAIOQ-MRXNPFEDSA-N 404.492 1.301 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1722402337 LLFZUWCTQCIVFE-IRXDYDNUSA-N 410.588 1.468 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1722535487 JCLJVQFQSLHLHB-UHFFFAOYSA-N 418.542 1.442 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722602860 CRSBSOLXSFIMLE-XHSDSOJGSA-N 423.539 1.471 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722692467 NCGVHSWZFKDLAD-ZQGRQUNCSA-N 418.498 1.003 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722725738 RJTDHKVYLJMOLX-OAHLLOKOSA-N 413.544 1.717 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1723636707 PSVQTOUKUWAQME-NRFANRHFSA-N 412.494 1.583 30 10 HDEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1728202245 GFWIZZBPBFFLHT-FQEVSTJZSA-N 413.482 1.662 30 10 HDEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1728511690 FSHIBZOFTCAUQW-MAUKXSAKSA-N 412.535 1.352 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2conc2COC)CCOC1 1728777697 AZKPOROAYJPURT-FQEVSTJZSA-N 416.482 1.853 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1OCC[C@H]1C 1729069673 ILZVDPMIXXZNHD-SJLPKXTDSA-N 411.510 1.833 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1730289642 JDAJGFNPQUUXQT-HNNXBMFYSA-N 406.446 1.702 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1731188147 FSTKWVXNRZRLHG-HNNXBMFYSA-N 411.466 1.382 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C1 1733876013 RWNBGMIXXJXEFM-GZKCFLEVSA-N 402.539 1.389 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740556558 IKINIDBUABXGPQ-YOEHRIQHSA-N 421.461 1.175 30 10 HDEE C#CCN(c1nnc(C)n1CCN1c2ccccc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740617684 VJVOLYWSYBVHEV-APWZRJJASA-N 413.547 1.664 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1740620352 PSIYNFLVSWZERD-UHFFFAOYSA-N 407.478 1.352 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1740640032 WOXNSJCWAFDXPU-MRXNPFEDSA-N 403.446 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1740659377 VEMPLEWVDZTJIY-UHFFFAOYSA-N 400.446 1.368 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCSC 1740717116 KCPMZPWJRLVIJA-AWEZNQCLSA-N 402.611 1.736 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOC)C1 1740977738 XSOYHOGADNJDLB-OAHLLOKOSA-N 420.539 1.666 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@H]1CCOC1 1741123731 ITFLGOOEIOKHPZ-HOTGVXAUSA-N 413.482 1.717 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](COC)OC 1747129522 GJRQJKVFGZMDKK-OAHLLOKOSA-N 402.455 1.011 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1748174774 XHOGJFGEBDRUII-AVRDEDQJSA-N 424.505 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1748671526 KBSREPGHEJAKIN-HOTGVXAUSA-N 421.567 1.429 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748713654 CXBBQNVWUZPFFZ-MSOLQXFVSA-N 420.521 1.962 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1748774182 VWUGAUOKHQOFCP-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN(c1nnc(C)n1Cc1csc([C@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1748805765 VSIZWRFHWKQCST-SWLSCSKDSA-N 409.537 1.425 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748920949 VNHCAMYLCHAVLH-SFHVURJKSA-N 412.542 1.081 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749354788 ZEYNWKBGMGYXFN-LIRRHRJNSA-N 424.571 1.350 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749609616 XAXKOSUIXOATRC-HNNXBMFYSA-N 408.466 1.672 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](OC)C2)CC1=O 1749861709 FMDDWIRIPLLTHX-MJGOQNOKSA-N 424.505 1.537 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1751093853 ZDEXBPUGEQVUTD-ZDUSSCGKSA-N 421.461 1.891 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1751094234 GNKBBRFTHSUQEO-GDBMZVCRSA-N 416.507 1.441 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1751099427 BKLGUEFJXGJKQY-DJJJIMSYSA-N 400.508 1.385 30 10 HDEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1751660145 HJTZAUPIYRUKFJ-KXBFYZLASA-N 403.508 1.542 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1760349035 WWGWNVIJMDDTMT-QGZVFWFLSA-N 414.514 1.540 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCNC(C)=O)CC1 1760392207 IJFGSHRFGQSRKN-UHFFFAOYSA-N 402.524 1.952 30 10 HDEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760443452 UMJGEHAVMMGIBZ-LJQANCHMSA-N 413.522 1.989 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1760467269 FIYXLNKLFMVMQM-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCCCCC2)C1 1760514932 OWVDFPCWMXHLAV-UHFFFAOYSA-N 418.542 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760520218 GKSWOFUQVLHZQH-INIZCTEOSA-N 413.526 1.328 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760526757 GROZLRNLTFFYTE-GOSISDBHSA-N 414.554 1.904 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1761247135 DMJWZWPBMCXDIV-JOCHJYFZSA-N 421.505 1.448 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cccn1 1761492096 AESYWBUMCHVWBD-MAUKXSAKSA-N 420.543 1.305 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC(=O)N1CCCCC1 1762609037 DSVUIHBBBGJHNE-UHFFFAOYSA-N 408.510 1.582 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1763201073 GAIOIXSRCRXCKY-KRWDZBQOSA-N 405.466 1.213 30 10 HDEE CNC(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1767787409 AMSAIWAWFRQXDQ-CQSZACIVSA-N 419.283 1.572 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1770043496 HFKOYPYCQLKYOD-KCITZHQASA-N 418.542 1.604 30 10 HDEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771026777 JNNBIHGOCFTXLZ-UHFFFAOYSA-N 421.509 1.698 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCOC2)CCO1 1771539271 SHJQLYWCBZNGIT-UONOGXRCSA-N 402.480 1.035 30 10 HDEE CCC[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1772859173 WTQYKZAVDWDRQF-HMWBCQRISA-N 410.482 1.886 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1 1850691869 YMFJPFZOQFCJQR-SFHVURJKSA-N 403.910 1.183 30 10 HDEE Cc1nc(C(=O)NCC#CCN2CCOCC2)nn1-c1ccc(Cl)cc1Cl 1851352180 YSHAFQMURMUJCX-UHFFFAOYSA-N 408.289 1.948 30 10 HDEE N#Cc1ccc(COC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1F 1852454203 PCOJLRSFAXSBET-UHFFFAOYSA-N 423.388 1.849 30 10 HDEE CC[C@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 1852724456 IZWNWMQCUZHFKM-AEFFLSMTSA-N 401.467 1.662 30 10 HDEE CN1CCN([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)[C@@H](C2CCOCC2)C1 1854215398 YIJVJDHFYJNXRK-NHCUHLMSSA-N 410.518 1.271 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@@H]1C 1854311023 BCDOVXVHFJPWFP-ROUUACIJSA-N 419.547 1.641 30 10 HDEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854403831 HUPKLLKVQZVLHJ-UHFFFAOYSA-N 405.476 1.536 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCOC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516682 PUBJEAYIWNZBLP-HNNXBMFYSA-N 405.476 1.123 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccnc(-c4ccncc4)c3)C(=O)C2)C1 1855026706 BOHNXHWEPLHPEQ-LJQANCHMSA-N 404.474 1.416 30 10 HDEE CC(=O)N(C1CC1)C1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855104210 LTGLITIBUISGTG-FQEVSTJZSA-N 409.490 1.560 30 10 HDEE Cc1c(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)nnn1-c1ccccc1F 1855888340 ONSMTEXUBMLYQJ-INIZCTEOSA-N 410.453 1.939 30 10 HDEE CCn1nccc1C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1856102483 JCINKKYYYDWILL-QGZVFWFLSA-N 407.478 1.123 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2ccc(F)cc2)C1)C1CN(c2nccnc2C#N)C1 1856277753 AVQQEVFVMRPLCO-CQSZACIVSA-N 408.437 1.297 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1=O 1856450885 CIONLTFQCRFRBG-IBGZPJMESA-N 407.474 1.663 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ncoc2C(C)(C)C)C1=O 1856721778 KBCDOWDIJKSLHE-GJZGRUSLSA-N 402.495 1.822 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(C3C(=O)CCCC3=O)C3(CCCC3)C2=O)cc1 1856870325 BNQIWZAQWRFGSG-UHFFFAOYSA-N 407.470 1.775 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cn1cncn1 1856994252 JEJGASGFSUIQKW-OAHLLOKOSA-N 415.475 1.123 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4ccncn4)C3=O)CC2)c1 1857021434 SGPKHDIGJZBURM-SFHVURJKSA-N 406.446 1.275 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1857135295 QXQMBKSCKLFNKC-WBVHZDCISA-N 411.849 1.896 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857298433 BMXMVPVRWYPHOX-HNAYVOBHSA-N 407.474 1.337 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857373739 PTERMXHZBXMPGN-KRWDZBQOSA-N 407.467 1.353 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 1870142435 CLTCIOAYNVHRMM-LBPRGKRZSA-N 416.397 1.771 30 10 HDEE Cn1nc(Br)cc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914902403 ZDTUNBGWALRECW-AWEZNQCLSA-N 424.324 1.581 30 10 HDEE CN=C(NCCCNC(=O)OC(C)(C)C)NCCN1C(=O)c2ccccc2C1=O 1923834788 CFFKYISBJWUBDB-UHFFFAOYSA-N 403.483 1.362 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C(C)(C)C1 2174778727 ANHRCKYNKUVJGE-CQSZACIVSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC(F)(F)C1 2184238383 WKDLPNNPYBVOOH-GFCCVEGCSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@@H]1C(F)(F)F 2186675943 LBDAFPXQKOBXDS-NWDGAFQWSA-N 412.434 1.560 30 10 HDEE CC1(C)OB(c2cc(F)cnc2N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2188592830 XDFWTPYYMYKEGK-ZDUSSCGKSA-N 402.322 1.444 30 10 HDEE CC1(C)OB(c2csnc2CN2CC(S(=O)(=O)C(F)(F)F)C2)OC1(C)C 2237656837 BPBRHBRINKHUBJ-UHFFFAOYSA-N 412.264 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243401261 OOROWQFYQVFZDV-UONOGXRCSA-N 403.288 1.776 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3OCCO3)cc2Cl)OC1(C)C 2243411070 NGQFPFAMAKJPKT-UHFFFAOYSA-N 409.722 1.352 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247820296 OCPHSXCMOQARJX-WDNDVIMCSA-N 418.303 1.304 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC(NC(=O)OC(C)(C)C)C1 2247826842 ANVIHOYAJQVCCN-UHFFFAOYSA-N 420.319 1.837 30 10 HDEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247844976 KIRFVYFSKRYJJW-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)COC1 2247907323 AFQWVMGRMHMHJS-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N(CCC(=O)O)Cc2ccccc2)OC1(C)C 2248573873 KVBFXKCABSCHDS-UHFFFAOYSA-N 411.267 1.893 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(CCO)C3CC3)cc2Cl)OC1(C)C 2267358815 IDAPFBPFFUJLMV-UHFFFAOYSA-N 407.750 1.846 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(C)CNC1 2282318050 CJOCEKQCAIXLJL-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CN)C2CCCC2)OC1(C)C 2282341850 YRGMMRXRNUMNBO-CQSZACIVSA-N 400.375 1.843 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282347382 XKENHWFAZRDMLU-LBPRGKRZSA-N 403.331 1.523 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CCNC2)c1B1OC(C)(C)C(C)(C)O1 2282488758 BZSHEVIACQWKFH-CYBMUJFWSA-N 400.375 1.647 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](CO)C(F)(F)F)c2)OC1(C)C 2282858101 RSULKLKMLPPBFJ-SECBINFHSA-N 415.264 1.496 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@]2(C)CCC[C@@H]2O)OC1(C)C 2282871905 NLEPBDKJKDVJCL-GUYCJALGSA-N 401.359 1.770 30 10 HDEE C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877750 WILVAKMJVJNZJK-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](CC(=O)O)C(=O)O)sc2Cl)OC1(C)C 2284434909 GECTVWGZUWMMAZ-MRVPVSSYSA-N 403.649 1.358 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(C#N)CC1 2296374816 GMZRPXAIIYBLFK-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(COC)C=CCN1C(=O)OC(C)(C)C 2365196968 RNLRUTLRZQDZAY-BEFAXECRSA-N 400.541 1.593 30 10 HDEE CC(C)(C)OC(=O)NC[C@](C#CC1(S(C)(=O)=O)CC1)(CF)OCCC(=O)O 2367795349 LWOLQDWCIYBFIX-INIZCTEOSA-N 407.460 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2367817751 NPOUSEOKDJBPAH-FZKCQIBNSA-N 400.541 1.161 30 10 HDEE C=CCNC(=O)CSc1nc(O)cc(CC(=O)NCc2cccc(OC)c2)n1 22629659 UYHLSOBEOYIWKD-UHFFFAOYSA-N 402.476 1.444 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O 28645524 BGDWMFMEAOYGTJ-MYSGNRETSA-N 417.487 1.305 30 10 HDEE N#Cc1cc(I)c(OCc2nnsc2NN)c([N+](=O)[O-])c1 51148232 RQBSJOBDYRRSNK-UHFFFAOYSA-N 418.176 1.787 30 10 HDEE C=C1CC[C@@H]2[C@](C)(COC(=O)C(=O)O)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O 253532221 LBWGMBCRIXRVEF-CCZIPGFJSA-N 422.474 1.598 30 10 HDEE biogenic CCOC(=O)CS(=O)(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 404908343 ALRXJXOWIMGKAI-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(S(=O)(=O)CC#N)cc1 476199043 OUZPYLZCTKRIAK-UHFFFAOYSA-N 414.486 1.188 30 10 HDEE COC(=O)[C@@](C)(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1 485058104 OFCDDRMSDCMXOC-FQEVSTJZSA-N 418.446 1.817 30 10 HDEE COC(=O)CCc1csc(NC(=O)N2CCN(c3ncccc3C#N)CC2)n1 495248057 CVFMAPWEEZWZMB-UHFFFAOYSA-N 400.464 1.869 30 10 HDEE CCCS(=O)(=O)NC1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 504092824 ITBPTJQILSZEOG-GOSISDBHSA-N 401.529 1.568 30 10 HDEE Cc1cncn1C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 505664655 ZCTJQHMLMKGETP-HNNXBMFYSA-N 401.492 1.594 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 507403409 OBTRUTZRCOSAAI-VLIAUNLRSA-N 400.435 1.637 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 514523143 RFLCENRKYLKNHR-UHFFFAOYSA-N 422.485 1.708 30 10 HDEE CCOC(=O)C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534054803 PCNCMAVTWWSYNN-OAHLLOKOSA-N 422.507 1.163 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1(c2cc(F)cc(C#N)c2)CC1 552358769 UMZKPDVLAHQCRU-NCOADZHNSA-N 400.406 1.681 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H]2c2nc(=N)n(C)[nH]2)n(Cc2ccco2)c1C 556085199 RMNRFECLVFRICL-QGZVFWFLSA-N 422.493 1.935 30 10 HDEE COc1cc(CNC(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)ccc1C#N 567410169 CHJQSLWTEOEOSW-QGZVFWFLSA-N 408.506 1.972 30 10 HDEE Cc1nsc(N2CCN(C[C@H](O)COc3ccc4c(c3)OCO4)CC2)c1C#N 570622588 TXQVTJQVQUUMPW-AWEZNQCLSA-N 402.476 1.614 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CCc3nnnn3-c3ccccc3)CC2)cc1 573702740 RQJUCEMGZDOBTB-UHFFFAOYSA-N 423.502 1.083 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H](NC(=O)c3ccccn3)C(C)C)CC2)c1C#N 578104043 GOBRZRSZGYYVDS-QGZVFWFLSA-N 412.519 1.821 30 10 HDEE C[C@H]1CN(C2CCOCC2)CCN1CC#CCN1CCN(C2CCOCC2)C[C@@H]1C 584246677 BWJWZKOBCSEVCV-VXKWHMMOSA-N 418.626 1.360 30 10 HDEE CN(C)CCOc1ccc(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 586862087 JOUADPHICXPILK-UHFFFAOYSA-N 412.465 1.613 30 10 HDEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 604192783 ZPNPSQZTIDSSTL-LJQANCHMSA-N 414.531 1.781 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)cc2)c1N 608926712 NREBOIASDBRKLM-UHFFFAOYSA-N 420.395 1.999 30 10 HDEE Cc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1S(N)(=O)=O 611505687 VZYVAGFUMWMCHY-UHFFFAOYSA-N 412.515 1.931 30 10 HDEE COc1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 612333996 YRQCMFIHVQNZIY-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 619714599 ZLQWMLDCWYNPPK-QGZVFWFLSA-N 406.508 1.518 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OCC)C1 670220356 XKKZJGWSCCCPBH-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CO)c3nc(-c4ccccc4)no3)cc2C1=O 672047248 UPXGGGUOJNEIAX-KRWDZBQOSA-N 418.409 1.982 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)CN3C(=O)N[C@](C)(c4ccc(C#N)cc4)C3=O)cc2NC1=O 727977225 UWVPFMZFKOFBCJ-AMXDTQDGSA-N 418.409 1.928 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCC(=O)c3cccs3)cc2C1=O 731688671 FFISKBODJLZMRY-UHFFFAOYSA-N 412.423 1.686 30 10 HDEE CC(C)S(=O)(=O)Cc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732880535 CKZOKPSDOZJEHQ-ISLYRVAYSA-N 420.491 1.658 30 10 HDEE C#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 733247470 IXUFRMUWQPMKQX-UHFFFAOYSA-N 411.911 1.093 30 10 HDEE COC(=O)[C@@H](OC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1 740237633 QLLGHVMKOGXNLS-KRWDZBQOSA-N 420.468 1.755 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2nc3ccccc3s2)CC1 746123763 HCAISDNIOCEURO-VHEBQXMUSA-N 411.487 1.861 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)c2C)nn1 746552994 RETDMLOUKCVDPD-UHFFFAOYSA-N 420.429 1.714 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCOC1 749871393 QXOGQIKMMRZDIZ-HNNXBMFYSA-N 422.510 1.322 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc3nnn(C)c3c2)c1 754183289 PPQVPVUDUNVFTB-UHFFFAOYSA-N 403.442 1.455 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cc2C)n1 764561023 LZHIPFMZAUZCSC-UHFFFAOYSA-N 410.459 1.719 30 10 HDEE Cn1cc([C@H](O)C[C@@H]2CCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 764741907 YQUWOSDJLXZIGS-ZWKOTPCHSA-N 406.450 1.992 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 772280647 ZDUPBGAPPRYGAM-KRWDZBQOSA-N 424.526 1.648 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 778679941 SGFXZLGHGVTONV-OALUTQOASA-N 400.479 1.517 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786682225 FIFLJGNXKQHHLM-HNNXBMFYSA-N 409.533 1.497 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 788039834 TYFIWYXGQIRTIQ-GFCCVEGCSA-N 422.550 1.010 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798744926 WLWNQRRUVHCKOU-ZFWWWQNUSA-N 413.434 1.635 30 10 HDEE C#CCN(C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 800763927 USGXUNWTXAVNPY-OALUTQOASA-N 413.499 1.422 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)NC)CC1 800773542 KMTNVJZLWUZRMC-UHFFFAOYSA-N 413.482 1.352 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 800788211 XODDGKPGIQJYED-CYBMUJFWSA-N 403.405 1.447 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 808737166 HTRMAOXCZDQLNJ-UHFFFAOYSA-N 408.524 1.964 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@H](c2cnn(C)c2)C1 849492271 QMSCWLRSRMPIPU-SFTDATJTSA-N 421.549 1.849 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CN2CCCC2=O)C1=O 917680210 GTPZAXJDZIJEDX-WFASDCNBSA-N 406.483 1.904 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 918755991 JDLRGKMRXKTFCY-INIZCTEOSA-N 417.512 1.587 30 10 HDEE CCOC(=O)Cc1cnc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1129799906 QFNHGXKRFWCMFY-UHFFFAOYSA-N 422.488 1.693 30 10 HDEE C[C@@]1(C(=O)NCCNc2ncccc2C#N)C[C@H](O)CN1C(=O)OCc1ccccc1 1136424020 GXBJXKUPAJVUNY-AVRDEDQJSA-N 423.473 1.643 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCO1 1147719784 DNBDOHRKIWTFSC-HXUWFJFHSA-N 408.458 1.907 30 10 HDEE N#CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1166383282 AJHQRWMORBLRGZ-SNVBAGLBSA-N 406.327 1.941 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 1168652605 FOTRUHCQZRQEEE-CXAGYDPISA-N 401.492 1.568 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)C1 1177758828 HDOCRNFXIATQHY-KRWDZBQOSA-N 412.519 1.373 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccc(Br)cc3F)C2)c(=O)nc1O 1180990406 RDIFJIVYDZZLCW-UHFFFAOYSA-N 423.198 1.184 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1 1188392238 DICPXMYQPPOWON-UHFFFAOYSA-N 422.441 1.997 30 10 HDEE CCOC(=O)C[C@H](O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1193032598 FSFAEFGMULEXPW-DLBZAZTESA-N 410.312 1.945 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OC(C)(C)C)CC1 1230293578 IJWWKKCBATZPRX-UHFFFAOYSA-N 422.551 1.467 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1233928992 WKHBVZUVXFEBFP-KRWDZBQOSA-N 402.495 1.389 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2cccc(C#N)n2)c1 1277168075 HFNLSEPDLKKGTG-UHFFFAOYSA-N 415.475 1.292 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1286269166 CSXXAXSXPHOSOF-GDBMZVCRSA-N 409.556 1.622 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1286367598 LEBLPZLAKSZCKE-OAHLLOKOSA-N 400.393 1.414 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncnn1C(C)(C)C 1286377801 GUBKIKCTQMIHJG-UHFFFAOYSA-N 412.523 1.734 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@H]1C 1286464272 YJBYMFFTSCLCHM-BTYIYWSLSA-N 414.462 1.300 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nnc(CC)s2)n1 1286470322 TUNUGDRHGVYGRX-UHFFFAOYSA-N 400.512 1.531 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1286478414 AGFGVMDPGBVCCX-FQEVSTJZSA-N 422.533 1.934 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2cnnn2C)CC1 1286483910 AEAYNSRCWZWZPS-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@@H]2CCOC2)CC1 1286491998 CFZZBYRNPASUSU-MJGOQNOKSA-N 415.538 1.565 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1 1286580338 WEXPEXQWGDSGPA-SFHVURJKSA-N 410.522 1.991 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286580539 ZYYQKJIVHQMXPV-INIZCTEOSA-N 412.556 1.862 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286601101 SFYXKGGOFFZXBL-SFHVURJKSA-N 404.559 1.737 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1286638522 DJQJNOPYMKJJQX-OAQYLSRUSA-N 419.526 1.336 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1286704892 IUVDVUFBGBTGTI-UHFFFAOYSA-N 404.515 1.212 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC(F)(F)F)CC1CC1 1286786633 VWOJSHJFTXCXFX-ZDUSSCGKSA-N 414.432 1.700 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@]1(OCC)CCOC1 1286792778 HMMUZDOYKUURDN-LIRRHRJNSA-N 413.469 1.714 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286794866 BCSNYJQTLYHFKD-JOCHJYFZSA-N 421.505 1.993 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CCO1 1289341893 ZSGMIWKIWQEIDE-MSOLQXFVSA-N 408.817 1.387 30 10 HDEE C#CCCN1CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1292438109 ZLIDFXJQAPMACC-OFNKIYASSA-N 413.518 1.970 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1295143988 FHSPZOSKGOGAPZ-UHFFFAOYSA-N 404.421 1.683 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)cc1 1296162569 VRQXIGPJLDPLLQ-PKOBYXMFSA-N 406.360 1.959 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1297668016 GENDGGPNQKTCJY-KGLIPLIRSA-N 407.496 1.554 30 10 HDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1299455871 COQRECPLFKILBX-OAHLLOKOSA-N 414.466 1.652 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1300293636 RDOAKYNYIYIGOG-IRXDYDNUSA-N 411.506 1.907 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1300381105 OAGVCZNAVVYTEP-UKRRQHHQSA-N 421.527 1.377 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1300635711 UEGVLPXRTOEAOB-HHHXNRCGSA-N 405.549 1.640 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)c(OC)c2)CC1 1300698668 XPXQDKKZXZCKAK-GOSISDBHSA-N 408.506 1.350 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)CC1 1301123888 FNNGIWBEWPZKMM-KRWDZBQOSA-N 404.540 1.847 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1301257846 FCMURTDXQAQNII-QGZVFWFLSA-N 424.567 1.922 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301259416 IYZHHLKVTKFOKX-AWEZNQCLSA-N 404.540 1.893 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1301289815 QZUGRHFZKJFGIQ-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC=CCO2)C1 1301540110 ZIZDRQTTWZBGAI-BZUAXINKSA-N 411.528 1.015 30 10 HDEE CS(=O)(=O)C1(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCC1 1302427161 HJUDUPHALSNLPX-MRXNPFEDSA-N 407.540 1.707 30 10 HDEE CC(C)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1302584534 HXNOYMJPCBVTAN-DXQAYGFFSA-N 402.499 1.933 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCc4oncc4C3)n2CCOCCCO)cc1 1302993264 BJGODERICZUFQV-UHFFFAOYSA-N 424.461 1.678 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](C2CCOCC2)C1 1303970765 JUWMKKZVDUQIJO-MRXNPFEDSA-N 405.520 1.780 30 10 HDEE O=C(N[C@@H]1Cc2cc(Br)cnc2NC1=O)c1cccc(C#CCO)c1 1304697438 QGZVTVMITXDQHY-OAHLLOKOSA-N 400.232 1.481 30 10 HDEE CC1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1305102027 MHMAOBMBVYVSCO-GOSISDBHSA-N 410.526 1.976 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccnc(Cl)c3Br)C2)c(=O)nc1O 1305589761 LJYMSDYOOJVZBE-UHFFFAOYSA-N 410.615 1.329 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1C 1307874572 QQNAVEWRVJUPFO-FQEVSTJZSA-N 405.520 1.440 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)nn1 1308565650 COTMBZPQYJPAFC-UHFFFAOYSA-N 420.495 1.577 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)ccc2OCC)n1 1309465232 XHKIATDJCNEVAK-UHFFFAOYSA-N 405.476 1.912 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1309564846 CBPBLNZKPVGWDO-YPMHNXCESA-N 422.320 1.808 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1 1310076110 HRYUOYLNRQUCOM-INIZCTEOSA-N 422.551 1.823 30 10 HDEE CCN1C[C@@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1312966168 DXFDGHJEKDBOHW-OAHLLOKOSA-N 409.494 1.426 30 10 HDEE COC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1315944749 RADFUMAAVQRRHB-RKVPGOIHSA-N 401.467 1.925 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1316485836 LUZGOTINPAYPNU-HHXXYDBFSA-N 424.505 1.855 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1316532197 NBYSZYVRLQTGRG-GUYCJALGSA-N 424.889 1.719 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCCOC1 1352907727 XCIDHBZFVIFUOX-HXUWFJFHSA-N 403.504 1.329 30 10 HDEE CCOC(=O)C(NC(=O)c1ccc(COc2ccc(C#N)cc2)o1)C(=O)OCC 1352954317 LXVOCDPMQUFPHA-UHFFFAOYSA-N 400.387 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CC1 1358880942 WFXIUWWHRYLLEF-MMEWPQADSA-N 410.507 1.290 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1358928184 VQRWSXNUAOJPCE-UHFFFAOYSA-N 404.496 1.209 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1358948390 BJYABDHXPNQWOZ-FUHWJXTLSA-N 413.547 1.701 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1358951825 NDZHCUHHVTXXIQ-QZQOTICOSA-N 420.473 1.495 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCCS1(=O)=O 1358952080 XIBDASSQHJJVCR-SFHVURJKSA-N 402.520 1.936 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccco1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358957491 VFLOJOURUAFSMW-QZTJIDSGSA-N 417.535 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C 1359018558 URSKCVNLPFJNOT-SFHVURJKSA-N 416.570 1.721 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2OCC[C@H]2C)CC1 1359028413 RGKVUBLZJHIYBO-SJLPKXTDSA-N 402.543 1.377 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccn(C)n2)CC1 1359037929 DJWVCJNTEQQUGH-UHFFFAOYSA-N 405.506 1.437 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1359038033 IEFZYRWBCVFMEL-HTAPYJJXSA-N 411.554 1.446 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1359154769 BIFAUGGQCZKGLR-GFCCVEGCSA-N 408.915 1.689 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359297623 WLOLHWUKHSDWLG-UHFFFAOYSA-N 422.493 1.261 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCn3ccnc3C2)C1 1359312567 XDNDENLVMKFOKX-IAGOWNOFSA-N 413.526 1.657 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359342908 HMALZBQISVGNQJ-OAHLLOKOSA-N 415.585 1.173 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3nc(-c4cnccn4)no3)CC2)c1 1442919612 GBQJZQRGKSCIPW-UHFFFAOYSA-N 403.402 1.889 30 10 HDEE C#CCSCC(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1443050472 QOKLBMAENDPLSK-UHFFFAOYSA-N 402.476 1.512 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCn3c(O)nnc3C2)C1 1448119232 NGAOBVRUTFVEOL-UHFFFAOYSA-N 403.240 1.096 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)CC1 1453844316 XJYVXNOULFPMEP-FJJYYWMZSA-N 422.572 1.685 30 10 HDEE NS(=O)(=O)c1ccc(Cl)c(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)c1 1460862341 VNWPGYAATFAPTQ-UHFFFAOYSA-N 413.883 1.264 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)C1=O 1463603088 CNASKZSYKSBXJR-ZDUSSCGKSA-N 400.428 1.028 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C(=O)NCCNc2ncccc2C#N)CCCOC1 1464502573 BWZKYLJOVVDJCN-FQEVSTJZSA-N 403.483 1.803 30 10 HDEE Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)c3ccc(Cl)cc3C#N)C2)n1 1464524069 AMWIKWVHTKMGHK-AWEZNQCLSA-N 407.883 1.963 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 1467814213 HUGFFKZEUCXRAB-HSZRJFAPSA-N 413.518 1.295 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1 1470253493 OCGYHJCVHRGZAI-SFHVURJKSA-N 412.534 1.973 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)nc1 1470913274 AICWBGNEJSYVLP-CQSZACIVSA-N 419.438 1.103 30 10 HDEE C[S@@](=O)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1471133299 SDVQHDMDAKFOTE-HYDGNGQDSA-N 424.567 1.333 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1471983906 KYEHINPAJFNEGM-OAHLLOKOSA-N 415.475 1.747 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 1473727201 BNHIFTNODILKCH-SFHVURJKSA-N 406.914 1.982 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OCC 1475629574 TTYDVZGUISRQJC-OAHLLOKOSA-N 410.492 1.547 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1478552217 BDPPQFKTFUVJBY-WHHMDLHCSA-N 414.524 1.166 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1502688065 HJPJOCADUHSGOA-PWIZWCRZSA-N 405.499 1.476 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1=O 1503672612 KEQFRRSSKGGYPK-JOCHJYFZSA-N 423.521 1.063 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCN2CCOCC2)C1=O 1503672613 KEQFRRSSKGGYPK-QFIPXVFZSA-N 423.521 1.063 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1504959406 QOPVCJHVYTVIHE-CQSZACIVSA-N 417.466 1.904 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1507589790 ZYPYYUVSNQQUGB-ZWKOTPCHSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1507606215 DOLKQZWJACXGFB-UHFFFAOYSA-N 413.507 1.047 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccs1 1507651874 UQOFNZXTEKWCFM-UHFFFAOYSA-N 404.499 1.828 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C1CC1 1507773691 VIXMVUFJSROXRT-OXQOHEQNSA-N 405.568 1.657 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507799327 WAJTZJSUNAFDKZ-AZUAARDMSA-N 410.522 1.993 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)CC1 1507885162 TZKXIQHIHNHWCI-AWEZNQCLSA-N 408.553 1.739 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507965925 XGXQGWWIFIILQG-SFHVURJKSA-N 404.559 1.566 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC(=O)N2)C1 1508125816 JAYWRBJUYLARGY-ZBFHGGJFSA-N 402.524 1.694 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CC 1508144842 HZUQFOILKPYIBO-HUUCEWRRSA-N 416.569 1.160 30 10 HDEE CC(C)(C)[S@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1508698087 HGGAYORBALQOGD-OHZJNBGDSA-N 406.556 1.906 30 10 HDEE Cc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCC#N)CC2CC2)s1 1511747617 GLCFPZJDRMDKOK-LLVKDONJSA-N 424.556 1.227 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1515476425 JKDGGBJQSFGBTM-HKUYNNGSSA-N 414.531 1.917 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)CC#N 1516846120 GZZSDTNTCHGPNC-CQSZACIVSA-N 406.512 1.631 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1F 1519332318 YQEXDPYPRIXFEC-PBHICJAKSA-N 419.457 1.927 30 10 HDEE N#Cc1ccc(NC(=O)[C@@]2(F)CCS(=O)(=O)C2)c(I)c1 1538009472 JEULLWCQVWCARB-GFCCVEGCSA-N 408.192 1.628 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H]1CC 1539125401 LUHFNWSJUJCWEX-ULQDDVLXSA-N 409.556 1.649 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1539154107 GURVEKYQWSWQHW-UHFFFAOYSA-N 413.507 1.179 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1539177739 BEFQHHUNUBAUDU-RHSMWYFYSA-N 402.476 1.295 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[C@H]2CCOC2)CC1 1539432204 ZNERRHCBRHCIRI-UGKGYDQZSA-N 417.554 1.501 30 10 HDEE Cc1ncsc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728434 HGNGRJPQDWZHKW-UHFFFAOYSA-N 404.517 1.789 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1540859112 FXBCEVXFVJUODS-INIZCTEOSA-N 400.508 1.716 30 10 HDEE O=C(COc1ccccc1CNC(=O)c1cccc(C#CCO)c1)NC[C@H]1CCCO1 1543053554 KHUPKZCYBJYTDI-OAQYLSRUSA-N 422.481 1.634 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1nc2n(c1=O)CCCC2 1544462348 BRBWKQUSFWRGGL-OAHLLOKOSA-N 405.499 1.194 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)CC1 1547764218 GNLGPZOHRUOXPV-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1547918472 FOGPNYSFZZWJSR-WIYYLYMNSA-N 418.542 1.533 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1=O 1555583451 XSMWYFJJJZNWTJ-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE COCCO[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555693978 WHTPKPGUXRWIMX-DOTOQJQBSA-N 414.466 1.374 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)cc(N)c3N)CC2)cn1 1558226910 RKMMDYRQQOHRIT-UHFFFAOYSA-N 401.268 1.843 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 1558329047 JUIQFTCLUHKWFJ-GOSISDBHSA-N 405.564 1.866 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 1560082079 UDYVRGWELVLVKV-IBGZPJMESA-N 402.476 1.831 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c1 1561591308 QIMZWPHXMOJZGH-OAHLLOKOSA-N 420.512 1.452 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1584868270 FYJQSYFDGIVRGK-XJKSGUPXSA-N 408.476 1.293 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1587615178 RSIWIWDDMFJANL-HIFRSBDPSA-N 411.432 1.400 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1587640184 PSGKCQSPZCQXKC-GQWAEJPESA-N 420.535 1.756 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1587851309 HIAMMMHMLXXRAA-OAHLLOKOSA-N 402.499 1.700 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1587862042 SOJNDEXXJHTXPZ-QZTJIDSGSA-N 423.583 1.897 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(SCC)c1 1588639063 YXNMXVSUYRNCRO-INIZCTEOSA-N 414.535 1.871 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1Cc1cnnn1C 1588694700 BSZCSXJYYSHAQU-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1593659803 DBPSFQUOOKNNRQ-UHFFFAOYSA-N 404.559 1.771 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594807388 NFVZKCUBYIEIDN-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1595758588 ATJCLMMPBYFTPW-JTDSTZFVSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCOC[C@@H]1C 1595784990 PJUQBHJOJDTDIA-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE COCCOCc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1596415301 VXZXCDISNHPCHU-UHFFFAOYSA-N 403.460 1.527 30 10 HDEE C#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCC1 1598059140 WKSBDPUCKQKXLT-UHFFFAOYSA-N 418.515 1.921 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(Br)c2ncc(C=O)n2c1)C(=O)OC 1617951355 UCKWYGHEILBCIA-CYBMUJFWSA-N 410.224 1.383 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1619042827 LLMFAQDCUXAVJH-FQEVSTJZSA-N 410.478 1.432 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1619484971 HOXDBKNLWWPLEH-WFXMFSGNSA-N 424.571 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1620638250 YBOBCCDJSOSFOD-FGTMMUONSA-N 421.519 1.310 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1623350501 GKKWYAVNJHUJQT-QGZVFWFLSA-N 421.542 1.386 30 10 HDEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](CO)c1ccccc1 1628297195 IQAZWGMNDOWFPC-RBUKOAKNSA-N 406.442 1.955 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](O)(c3ccc(Cl)cc3)C2)C1=O 1628394285 XSPIRXMZXIGCHJ-LJQANCHMSA-N 405.838 1.127 30 10 HDEE CC(=O)N1C[C@H]2[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCC[C@H]2C1 1629127485 DHPXDGXYYGBAHD-XCRHUMRWSA-N 407.467 1.500 30 10 HDEE Cc1ccc(C(=O)NCCc2cn3c(C)cccc3n2)cc1S(=O)(=O)NCC#N 1631839042 LUQDNTCRQMMTLY-UHFFFAOYSA-N 411.487 1.726 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)CC1 1631960575 FZGVUHSARCLXLC-MRXNPFEDSA-N 403.552 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](COC(C)C)C2)s1 1634448040 HHIWXELCLBNBRB-AWEZNQCLSA-N 402.538 1.407 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1 1635881651 CGANSRLTDZQBAA-GOSISDBHSA-N 402.470 1.619 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)C1 1638242767 UVBQSQPWDDJCTE-INIZCTEOSA-N 406.487 1.556 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1639974485 FEBCXHIUJWJDOZ-NGEICVOHSA-N 403.504 1.045 30 10 HDEE COC(=O)CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCCC1 1641066926 QRLQIVOFPADJCY-UHFFFAOYSA-N 407.492 1.745 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)[C@H](O)c3cccnc3)ccc2c1=O 1642580135 SRBRTBQFGYDDJT-IAGOWNOFSA-N 412.471 1.091 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2scc(C)c2Br)CC1 1644285475 PIAAHYLZQPFBQR-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1650972437 QERFJZJCMODQHS-CZUORRHYSA-N 416.927 1.316 30 10 HDEE C=CCOc1ccc(C(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1OC 1650977393 HNSBXAXPMRRDEY-LJQANCHMSA-N 403.523 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653073209 UYCOLUIIQFGXQJ-AUSJPIAWSA-N 423.535 1.420 30 10 HDEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)C[C@@H](O)c3cccc(C#N)c3)n21 1654148598 FOWGCMZMXLKELP-LJQANCHMSA-N 402.458 1.927 30 10 HDEE NC(=O)c1ccc(C(F)(F)F)n(CC#CCN2C(=O)c3ccccc3C2=O)c1=O 1656205824 QKKRNSYTBFZIAW-UHFFFAOYSA-N 403.316 1.266 30 10 HDEE CCOC(=O)C1=C(CN2CC(O)(CC#N)C2)NC(=O)N[C@@H]1c1ccc(Cl)cc1 1658381697 DIMFKZCCLHGPGA-MRXNPFEDSA-N 404.854 1.471 30 10 HDEE C#CC1CCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1659142753 SFYNBHASHCTHCB-OAHLLOKOSA-N 419.526 1.044 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1663918484 AYZJYLJQYWJVAN-JSGCOSHPSA-N 419.400 1.870 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)N1CC[C@@H](N(C)C)C1 1664960619 FLBBVENLVROTNK-PBHICJAKSA-N 410.515 1.553 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OCC 1669267404 MUJLSCCIZFOMEW-ZDUSSCGKSA-N 419.297 1.724 30 10 HDEE Cc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1Br 1669271834 CVTLWDFAOYKEOW-HIFRSBDPSA-N 418.357 1.977 30 10 HDEE C#CCN(C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1)[C@@H]1CCS(=O)(=O)C1 1671166627 WQDFXQBNAKGMRE-QGZVFWFLSA-N 402.476 1.594 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)C1 1672687742 OKJQCDSXDDYALQ-OAHLLOKOSA-N 423.439 1.861 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)[C@H]1CCCO1 1680314096 IKPWGFJDKULGMZ-ARFHVFGLSA-N 415.494 1.754 30 10 HDEE COc1ncc(NC(=O)NCc2ccccc2OCCN2CCOCC2)cc1C#N 1680425673 CICRBHOCGLUQKN-UHFFFAOYSA-N 411.462 1.995 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)CCOC)CC1 1690146435 NSGHSKGLCDSBHI-JOCHJYFZSA-N 419.570 1.620 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2ccncc2)CC1 1690146582 REPNEOHWEJIXGQ-FQEVSTJZSA-N 422.533 1.776 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690351001 FEXXGWINYCUMTB-LJQANCHMSA-N 408.934 1.454 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1690469635 WJZNPCLEKUYUBC-UHFFFAOYSA-N 401.515 1.474 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690674191 SEYNVJVEBCLEES-INIZCTEOSA-N 416.551 1.728 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690731591 NCOCZUUZSOBDNR-DLBZAZTESA-N 421.567 1.818 30 10 HDEE CC(C)CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1692405808 FSSZADSXTUQEQY-VXPUYCOJSA-N 409.494 1.883 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1692655214 DQEBBKPZTZMPKE-AWEZNQCLSA-N 401.496 1.494 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1695444847 SGJAFHZXQJHYPT-HOTGVXAUSA-N 412.494 1.869 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1705474123 CPVABMIARAPFAM-SZNDQCEHSA-N 407.478 1.394 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1705477932 UGHBNSLDZGUWKG-GVDBMIGSSA-N 410.588 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1705500227 JEJMXVDLGOIRKB-SJORKVTESA-N 402.520 1.792 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705508198 RNYWGMQCEXVVHE-IBGZPJMESA-N 414.554 1.476 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1705534854 UDKLQHLVIOADEK-DLBZAZTESA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562857 LUHBSKAZUKHISP-JXFKEZNVSA-N 418.519 1.634 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1705612621 KTCRJJUBGGCNLH-QGZVFWFLSA-N 400.504 1.718 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)(=O)CC1 1705704962 BACAXXLEWHCCHE-MJGOQNOKSA-N 417.535 1.480 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705904861 AQJVFKBMWRMEFG-AWEZNQCLSA-N 423.514 1.180 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1710689191 VVHDLKSLZAAOAV-DNVCBOLYSA-N 402.478 1.659 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1COCCO1 1712529876 ISRHNOZFTCXQBD-FUHWJXTLSA-N 407.515 1.938 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1712880407 INXYPWYCGURTIP-FOIQADDNSA-N 409.425 1.449 30 10 HDEE C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]32)[C@H](c2cnn(C)c2)C1 1719478346 JBXNSGSJFBKWGI-MVBLQPKNSA-N 400.523 1.860 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)N(C)C2CC2)CC1 1722450960 UXNCOHJZSCRPDJ-INIZCTEOSA-N 402.543 1.263 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722482366 HNASUVCNIJMWQV-XQQFMLRXSA-N 412.288 1.625 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1722631272 IWEFEFPLBUSLOR-YOEHRIQHSA-N 424.546 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1722724554 ZSTMZCPXLLSCQW-UHFFFAOYSA-N 421.523 1.360 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722725897 SYQCIXVIJDYWHS-LJQANCHMSA-N 412.556 1.777 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1723553009 HXEGFFVSRXCSPO-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1723635816 BNIQMIMHXLAHSV-UHFFFAOYSA-N 419.436 1.159 30 10 HDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1728170244 BGUKLLGYJRLXIW-GOSISDBHSA-N 423.521 1.648 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(O)CCC1 1730871725 WLXGBXBVWUAENZ-AEFFLSMTSA-N 418.542 1.484 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1730891495 PYMKPKXGJZGONQ-GOSISDBHSA-N 422.493 1.625 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740587704 SMOSCZDGBQOIFW-INIZCTEOSA-N 419.493 1.594 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740621484 MBEAUELYUKGHOU-HZPDHXFCSA-N 419.576 1.663 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740628333 PMYWXSZHKVELMH-BBWFWOEESA-N 424.567 1.817 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)C(C)C 1740635755 QQTCTJIWNFTWIE-UHFFFAOYSA-N 403.494 1.334 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC=C 1740686638 VDCLZURBADIILL-SFHVURJKSA-N 411.462 1.179 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)N2CCOCC2)CC1 1740694301 FRXRNIKEJIUYRR-LJQANCHMSA-N 416.570 1.038 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCN(C)CC2)CC1 1740696161 NJVPOGYXGATQNL-SFHVURJKSA-N 418.611 1.365 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCSC)CC1 1740703831 BQHLGLAMLDVBNN-UHFFFAOYSA-N 401.540 1.398 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740809373 GPQLOHVNGNELSW-CYBMUJFWSA-N 401.920 1.385 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1740835018 BIZNIKCCBJNRQP-LEWJYISDSA-N 403.527 1.811 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740835677 JNCNUMXNNOCBEA-FXAWDEMLSA-N 424.567 1.767 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](OC)C1 1740876091 OALUWNSMRJYUFK-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740880028 BHCOIKGESXXPCD-KRWDZBQOSA-N 417.514 1.320 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1740900234 WNNLIIOPOQWRDL-HNNXBMFYSA-N 413.613 1.630 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)C 1740915544 KHZASIBEAISRSY-UHFFFAOYSA-N 414.510 1.706 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)C1 1748048085 HGQTYFVALYZJHA-IBGZPJMESA-N 418.448 1.641 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748671193 GWHFZGCWOHYQSF-BSDSXHPESA-N 423.583 1.137 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCCO 1748690134 MSHXOQDYDWFXNO-ZACQAIPSSA-N 421.542 1.906 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCn2cncn2)c1 1748694679 LAEGRHVAKXMURU-UHFFFAOYSA-N 404.478 1.579 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCCO 1748776855 SKMLTTKCKWVLOW-UHFFFAOYSA-N 405.524 1.427 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748808139 ACJQKHOSBZBKRM-CVEARBPZSA-N 419.526 1.661 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1748929238 HDSGUHKQUXZKPS-QGZVFWFLSA-N 419.507 1.189 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)cc(OC)c1 1748961159 WFGHSBGUMDVWIR-QGZVFWFLSA-N 401.442 1.511 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cnn(-c3ccccc3)c2)CC1 1748999737 DLOAJHNAKIHEMU-UHFFFAOYSA-N 405.506 1.804 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)cc2)CC1 1749011018 XZWURFLBKVDWCK-LJQANCHMSA-N 423.517 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1749131028 PNUNFIFJMXBCGL-NCOADZHNSA-N 407.540 1.757 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2ccco2)CC1 1749324113 PZCMLRINQILEKB-UHFFFAOYSA-N 412.494 1.940 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1749462377 UMCLESBFPNHIEH-INIZCTEOSA-N 413.526 1.707 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1749574801 FQYSSGUNGFKTMF-IRXDYDNUSA-N 423.539 1.135 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1749956561 ZLVAIZHPSBRMDA-FOIQADDNSA-N 422.505 1.893 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 1750027345 KCUBEOQTARBBME-AEFFLSMTSA-N 418.542 1.484 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1cccnc1N1CCOCC1 1760171309 ZBYWNLCGLTYOOR-UHFFFAOYSA-N 403.490 1.998 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)CC1 1760258840 CNDBLPHCFIMOCH-HNNXBMFYSA-N 417.464 1.703 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2)CC1 1760268991 UMGNCKTWVDXJGJ-LJQANCHMSA-N 420.517 1.552 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CC(C)C)C1 1760548772 OXPYAZZRPHRVIC-INIZCTEOSA-N 411.572 1.890 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1760692783 DMRFZBPRRIQEAM-LWKGGZMYSA-N 414.535 1.752 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1760963655 FYEBDDTUTACCHU-DMEQXSTQSA-N 414.510 1.933 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1761396014 HQPCYCVECCQRJE-JKSUJKDBSA-N 411.510 1.238 30 10 HDEE CC[C@H](C)[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)OC 1763450546 JVVAOPBSPNXMLV-GRDNDAEWSA-N 416.482 1.796 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCN2CCOCC2)cn1 1769003510 NLWZPAAUZUCUDQ-LJQANCHMSA-N 402.478 1.233 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1769135372 ABYVPJFKHICTQA-SFHVURJKSA-N 424.505 1.538 30 10 HDEE COCCN(C)CCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1769774858 CVFAYRDRJIKPGM-QGZVFWFLSA-N 414.510 1.651 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccn(C)n2)C1 1770110085 KIQBCKWGGBIKQC-IBGZPJMESA-N 407.478 1.840 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1770268833 MPADQAHJHQKTEE-RTBURBONSA-N 413.478 1.759 30 10 HDEE N#CC1(COC(=O)CCCN2CCS(=O)(=O)CC2)CC(OCc2ccccc2)C1 1848470900 HLJAFTXRLMQZFV-UHFFFAOYSA-N 420.531 1.929 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)NCCN1CCC(C#N)CC1 1853038483 WGMMSZNBTSDEOQ-GOSISDBHSA-N 410.515 1.480 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCOC[C@@H]3c3cccnc3)CCC2=O)ccn1 1853810941 OHLOITWXRAOBJU-OXJNMPFZSA-N 405.458 1.801 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C3CC3)n(C)n2)C1=O 1854223913 HDTGCHMARYTZCF-QZTJIDSGSA-N 413.522 1.538 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CC(=O)C1 1854499860 JZKUDKMLGVUZHU-UHFFFAOYSA-N 402.472 1.834 30 10 HDEE C=CCN1CC(=O)N(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)c2ccccc21 1854812264 YFMBBWKZXSFPDE-INIZCTEOSA-N 407.474 1.563 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)C3CC4(CCOCC4)C3)C(=O)C2)C1 1854935669 RWSAFDOJLGOKJQ-PKOBYXMFSA-N 402.539 1.631 30 10 HDEE COc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1855111110 CDXGSEYQWXJHJR-QGZVFWFLSA-N 416.455 1.966 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCc4c(OC)cccc43)C2=O)CC1=O 1856004823 KENDYDSUEMOMTO-VQIMIIECSA-N 411.502 2.000 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC(COc4cnccn4)CC3)C2=O)c1 1856436894 SWZYICOBNMRWMU-IBGZPJMESA-N 405.458 1.880 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1F 1856652771 FIYMQUZOKZFERM-MRXNPFEDSA-N 409.439 1.661 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1=O 1857150018 NJOBOTLSKBRDOJ-GOSISDBHSA-N 424.892 1.492 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc3ccccc3n2C)C1)[C@@H]1CCN(C)C1=O 1857263282 FGUHXWIULQEXMM-QFBILLFUSA-N 408.502 1.886 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1857327211 QWTRGLKATHLBRQ-QGZVFWFLSA-N 423.922 1.656 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cc1ccn(C)n1 1857484905 XYKGUVFNSNZTSB-UHFFFAOYSA-N 416.503 1.665 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cccc(=O)o1 1857484949 YWKUSHAMIYWLGF-UHFFFAOYSA-N 416.455 1.956 30 10 HDEE C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cnn(C)c3)cc21 1857631386 NHSIUZUXAMTREQ-KRWDZBQOSA-N 405.410 1.476 30 10 HDEE CCCCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccn(C)c1=O 1861288648 ASDPTAAUSYQHNR-QGZVFWFLSA-N 406.527 1.616 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c(O)c1 1862591318 GTTHZSIOINMRIO-GOSISDBHSA-N 412.398 1.518 30 10 HDEE C#CCOc1cn(Cc2ccccc2Cl)c(CN2CCN(CCO)CC2)cc1=O 1870559518 FOSXWIVOJMMAQT-UHFFFAOYSA-N 415.921 1.672 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2cccc([N+](=O)[O-])c2)cc1=O 1871004785 XRFUECMYCWGIPJ-UHFFFAOYSA-N 412.446 1.713 30 10 HDEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873593653 UAZQRJZOGBYPTL-INIZCTEOSA-N 409.490 1.727 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874417303 HDEUBVFSMJJVQU-KEBDBYFISA-N 412.431 1.942 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2)cs1 1890354098 BARGWQWFXDNENH-GFCCVEGCSA-N 400.460 1.603 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914786033 YKEVYGYJPLMQSE-MSOLQXFVSA-N 402.495 1.763 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1985053383 XIGOOQVZPRKOEX-CQSZACIVSA-N 411.318 1.435 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)COC1 1985102983 ONVXOXXDJOODAG-WDNDVIMCSA-N 408.304 1.831 30 10 HDEE CC1(C)OB(c2cnc(OC[C@H]3COCCO3)c(Br)c2)OC1(C)C 2052494744 QKDZNFLMXIJFCM-GFCCVEGCSA-N 400.078 1.938 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 2054408608 TUCLVAJDRMNUBE-ROUUACIJSA-N 406.508 1.858 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 2124707306 CRZUSUFMWYYJOK-LBPRGKRZSA-N 401.872 1.843 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ccc(I)nn2)c(N)c1 2173020380 CQTHEAWYTALSOZ-UHFFFAOYSA-N 401.189 1.336 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@H](CS)C(=O)O 2180239515 DXLCITSVQRTQEH-WDEREUQCSA-N 400.453 1.033 30 10 HDEE Cc1cnc(C(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2247815577 CCPMGSDDLKNETG-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE C[C@H](CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(N)(=O)=O 2267569744 ZNEBXOTUFSFXCC-MRVPVSSYSA-N 408.738 1.108 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039940 JKEODKREEJWTTL-SNVBAGLBSA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282019427 LQJIXAFNUMZPMN-NSHDSACASA-N 400.331 1.139 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C1(CO)CC1 2282314367 YLVSGCOGYMOJQV-LBPRGKRZSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CN(CC(F)F)C3)s2)OC1(C)C 2282329166 IUYFJSCRRISOQW-UHFFFAOYSA-N 408.301 1.275 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282502498 MAIIGBQDZBBDDM-OASPWFOLSA-N 401.359 1.712 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOCC(F)F)OC1(C)C 2282504229 LWIWVSICJKDMNK-UHFFFAOYSA-N 412.289 1.143 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC3COC3)c(Cl)c2)OC1(C)C 2282827735 CLFFUVNQOCUDGJ-UHFFFAOYSA-N 401.721 1.954 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282841443 ODCCOOPMCYJRBI-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H](N)CC3)s2)OC1(C)C 2282850838 UDVVMLBVZVXALR-QWHCGFSZSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(F)C[C@H](CO)C3)s2)OC1(C)C 2282854054 MVLIBJRRFGNMRA-SXUIPJSXSA-N 405.322 1.436 30 10 HDEE COC[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282861293 MEWWTVNYNZNCHE-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE C[C@@H]1OCC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866288 GWXNNZFAXIBUMJ-JSGCOSHPSA-N 401.359 1.986 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1N 2282866717 NXRVLCXAUHUODU-JMSVASOKSA-N 400.375 1.794 30 10 HDEE CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284397797 QDXDCLVUUWXQGG-PHIMTYICSA-N 401.315 1.531 30 10 HDEE C[C@@H](F)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400816 YPJZJTOSHRMCEE-MWLCHTKSSA-N 407.294 1.278 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CC(=O)O)C(F)F)s2)OC1(C)C 2284403367 PGRAMNAXCGUAFW-QMMMGPOBSA-N 411.257 1.434 30 10 HDEE CCCSC[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284454569 OPVTWICMBFKHQH-SNVBAGLBSA-N 400.331 1.769 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)NCC3CC4(C3)OCCO4)cc2F)OC1(C)C 2364955828 OVLALWWQQUEQBR-UHFFFAOYSA-N 407.247 1.713 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2367785498 DWCGVTMTCZULSS-GJZGRUSLSA-N 400.541 1.570 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367798414 ZMWWTAMOKDHTMX-BZUAXINKSA-N 401.525 1.590 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367810943 CNSNFVKTQGRACT-OAGGEKHMSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CNC(=O)OC(C)(C)C)C1CC1 2367822329 DWKCHUZJWBNQKY-KXBFYZLASA-N 400.541 1.211 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2370692270 AOULOIRZGUCSDC-NRTGNBEESA-N 402.557 1.537 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2cccc(F)c2)C1 34691444 SASKVOJWUAQTHE-VQTJNVASSA-N 410.486 1.179 30 10 HDEE CC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)n[nH]1 59889243 GEZWYOOLSNIFPU-XDHOZWIPSA-N 421.531 1.384 30 10 HDEE COc1ccc([C@H]2/C(=C(/C)O)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 102436242 OZQQBGGVKZDDPX-ZSFFSCSXSA-N 404.463 1.711 30 10 HDEE Cc1nc(N/C(N)=N/C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)nc2ccccc12 103818815 RXRJTYOKXBFRRR-GASCZTMLSA-N 408.462 1.757 30 10 HDEE CN(C)CCOc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 410395687 DFKYZHZHLAOSSM-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1=O 439523548 OUZXDKOPLACKHS-WMZOPIPTSA-N 421.519 1.890 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443335738 PCYYNPITAXJVKJ-UHFFFAOYSA-N 422.507 1.330 30 10 HDEE COC(=O)[C@@H](c1cccc(Br)c1)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 462121904 IKXUAHDCUPBCBL-IINYFYTJSA-N 406.240 1.846 30 10 HDEE C=CCn1c(O)nnc1SCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 470824073 DSNDLFSZLNIKRF-UHFFFAOYSA-N 401.492 1.683 30 10 HDEE CSc1nc(O)c(C(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cc1C#N 476949969 GYFWBILOIMGISY-JTQLQIEISA-N 406.489 1.861 30 10 HDEE C[C@H](OCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1nccn1C 479858215 BQJKZUMIGRCJGC-HNNXBMFYSA-N 407.478 1.886 30 10 HDEE CC(C)N(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 485122190 QHKUMTANOMRGHJ-GOSISDBHSA-N 405.520 1.985 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2C(=O)c2ccc(OC)cc2)CC1 511952583 ABGGVQUQAMPXJE-UHFFFAOYSA-N 421.497 1.986 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)cc1 514307100 RUJFKVVXYRBUJY-SFHVURJKSA-N 423.538 1.523 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)CCC1 518009965 KZXREEROBNJFCA-UHFFFAOYSA-N 401.492 1.878 30 10 HDEE CCOc1ccc([N+](=O)[O-])cc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 523322283 ZLADFXVZMVYIHC-UHFFFAOYSA-N 413.455 1.626 30 10 HDEE COc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cc1[C@]1(C)NC(=O)NC1=O 533583311 FHWFTZXNXPAOKS-ZMZPIMSZSA-N 406.464 1.063 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)Cc1cn(C)nn1 541989363 BLANOFCHFZVXKB-UHFFFAOYSA-N 424.465 1.105 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cnc3c(C)cc(Br)cn23)CC1 543394648 WOJTWTOCWVAFRF-UHFFFAOYSA-N 406.328 1.825 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CN=c3cc[nH]cc3C#N)CC2)cc1OC 547826016 FZIVPTNRTFNSCK-UHFFFAOYSA-N 416.503 1.905 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)c1 552860616 APFDOAZVRCKVQV-UHFFFAOYSA-N 414.469 1.509 30 10 HDEE C=CCNC(=O)CN1CCN(c2c(Br)cccc2S(C)(=O)=O)CC1 557485101 HTAIJTBKQBYNCE-UHFFFAOYSA-N 416.341 1.277 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccccc3n2C2CC2)cc1 564524685 JOIZZQKKGVHESQ-UHFFFAOYSA-N 409.471 1.838 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c(F)c1 586863574 STLSTPLTJXSPDA-UHFFFAOYSA-N 411.393 1.571 30 10 HDEE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 587654939 VLSHXSNCWLAJDC-INIZCTEOSA-N 421.501 1.833 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2csc(-c3ccc4c(c3)OCO4)n2)CC1 588166874 DHIFRPLHIWITHQ-UHFFFAOYSA-N 400.504 1.959 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)ccc1C#N 589474558 HOMNWECYOGAGFK-UHFFFAOYSA-N 405.432 1.111 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cc(OC)ccc1OC 608827139 AJQXCNSRPOUEGM-UHFFFAOYSA-N 421.478 1.165 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c(=O)n1C 609311285 CSRZDKGWGHZVLR-UHFFFAOYSA-N 415.471 1.872 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccn(CCC#N)n2)CC1 609795283 YUDAUHZEIQHMOJ-UHFFFAOYSA-N 405.484 1.176 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 611553514 LLZHFUSFRLCQQT-KRWDZBQOSA-N 401.529 1.616 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccoc4)n3C[C@H]3CCOC3)CC2)c1C#N 619856580 LCEMJMFVTXKRIM-MRXNPFEDSA-N 422.493 1.815 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 670197628 DVFVLINFCSGAQW-PKOBYXMFSA-N 404.559 1.770 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670215567 DUSGHMFBKIBREI-UHFFFAOYSA-N 415.542 1.817 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n(C)c2)C1 732650034 YAAWBNLNICZAMW-DOTOQJQBSA-N 419.551 1.258 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1ccc(C#N)cc1 740200517 KKCLQPXVFBJAMM-QGZVFWFLSA-N 402.428 1.894 30 10 HDEE COC(=O)c1cc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)o1 745495944 KPRTXCACANBFCZ-NSHDSACASA-N 420.443 1.935 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C 745542334 ZSDHZWWTSPPVEN-AWEZNQCLSA-N 414.466 1.960 30 10 HDEE C#CCN1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(Br)cc2)CC1 755371816 PJRZLIULIYAVMG-AWEZNQCLSA-N 413.337 1.636 30 10 HDEE CCOC(=O)c1sc([C@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)nc1C 757021196 GMJRKINVQBUIRI-QPQCVSCISA-N 406.464 1.722 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2)n1 760125619 HYWOVRSGKICGPT-JKSUJKDBSA-N 415.498 1.376 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4cc(C#N)ccn4)CC3)C2=O)C(C)(C)O1 764865071 QEWRPUXQCOYZBY-OAQYLSRUSA-N 412.494 1.301 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 766697411 GJOHOWRUAVCGLH-UHFFFAOYSA-N 411.439 1.613 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774147764 FVTVBZYCFWJLKN-AZUAARDMSA-N 419.547 1.664 30 10 HDEE C#CCN(C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 774165291 UQYGNQPNBCGGFF-CQSZACIVSA-N 412.895 1.486 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC)C(=O)O 776589804 XOHFRUDTCWBNNR-SECBINFHSA-N 405.450 1.327 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 778790392 FRVNRGVEMOPPDU-AWEZNQCLSA-N 419.484 1.928 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCN1C1CC1 779089102 YJWCXWWWCWOQGN-HNNXBMFYSA-N 407.471 1.470 30 10 HDEE C#CCN(C(=O)NCc1ccc(Br)cc1OC)[C@H]1CCS(=O)(=O)C1 779660417 IZNNHJRZFYBFGB-AWEZNQCLSA-N 415.309 1.790 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC(=O)NCc1ccccc1 780180509 RSBQWFQSXGDATC-HXUWFJFHSA-N 403.435 1.817 30 10 HDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2c(F)cc(C#N)cc2F)CC1 782232337 OJJCUWIZGGWCPG-UHFFFAOYSA-N 420.445 1.614 30 10 HDEE C=C[C@](C)(CCOC)COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 784613510 BEGDUBQKBBHGFZ-LJQANCHMSA-N 413.540 1.901 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCC(=O)N2Cc3ccccc3C2)n1 788997455 CZTMYYUKFLZHPR-UHFFFAOYSA-N 423.517 1.997 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790139712 VGVJPNRJYNYQAM-NRFANRHFSA-N 408.543 1.565 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(Br)c(C(=O)N[C@H](CO)CC=C)o1 792323193 IYYFVFNCYOHCIZ-QWRGUYRKSA-N 401.257 1.376 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCC(=O)OCC(=O)Nc1cc(F)cc(F)c1 800754664 NHTFSRWMCDFKNZ-UHFFFAOYSA-N 409.370 1.297 30 10 HDEE C#CCC(CC#C)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 806543439 WJGSVNPQLUTUAN-IBGZPJMESA-N 415.534 1.967 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 807468989 DNIYCZNEVLKXCK-WOJBJXKFSA-N 419.547 1.457 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCn2cc(Br)cn2)n1 807611250 CPLILGLDUBJYJM-UHFFFAOYSA-N 423.315 1.724 30 10 HDEE C=C(C)C[C@H](C)C(=O)NS(=O)(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 810802684 LFZQWGBLTMZTCK-NSHDSACASA-N 408.929 1.998 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1116568908 ZGOHFHODOOPTMJ-ZDUSSCGKSA-N 408.398 1.667 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 1132422235 OYKCOAXBQROUBA-DAYGRLMNSA-N 424.519 1.722 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(F)ccc(Br)c2F)C1=O 1134409070 QFGUZYZQFWDJNZ-UHFFFAOYSA-N 402.151 1.643 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1136752147 GTRYYKUGAOQLIJ-OAHLLOKOSA-N 408.329 1.058 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)n[nH]2)c1C 1137892385 NWHDKNNLMXANDR-PBHICJAKSA-N 400.483 1.442 30 10 HDEE C=C[C@H](C)ONC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1144589277 KXPZKBBCAPMGGY-FZMZJTMJSA-N 424.928 1.044 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2O)C1 1179983004 WYQGCHNNDVNMAM-UHFFFAOYSA-N 402.428 1.022 30 10 HDEE CCCN(C(=O)CSCCC#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1189495832 PWNQDBCKRUHNSP-UHFFFAOYSA-N 401.492 1.969 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1217141018 LODCSMWNYGBBNX-UHFFFAOYSA-N 407.492 1.472 30 10 HDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1227631220 FREJPWBCMDHXSX-ZWKOTPCHSA-N 410.478 1.042 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1230738672 VHLRUTVTDAZXSO-UHFFFAOYSA-N 407.414 1.693 30 10 HDEE C#CCN(C(=O)NCc1nc(C(N)=O)cs1)C1CCN(C(=O)OC(C)(C)C)CC1 1231182905 JZUYTMHEWZOULH-UHFFFAOYSA-N 421.523 1.786 30 10 HDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N1CCC(NC(=O)NCC#CCN(C)C)CC1 1251273385 VOUHNDBMGDJGJL-KRWDZBQOSA-N 420.579 1.480 30 10 HDEE CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1279736886 FOGCSNPSOYLLTR-WJJPVSRMSA-N 402.535 1.973 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCCC2=O)c1 1286358006 FWVANXLOMAIRDK-UHFFFAOYSA-N 406.490 1.759 30 10 HDEE C=CCN(C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)Cc1ccon1 1286721197 UMPHEXNQCCRZPO-UHFFFAOYSA-N 403.468 1.070 30 10 HDEE CC(C)(C)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1286996006 FLGUKGFCSJPMES-UHFFFAOYSA-N 409.556 1.645 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1288169569 HEICQGISAXVCFA-MRXNPFEDSA-N 403.531 1.267 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288305349 OAGRCYXSABNAHR-JSJNYSNDSA-N 423.489 1.301 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1288354295 IHDZMWFIMVJWHA-KKSFZXQISA-N 417.462 1.476 30 10 HDEE Cc1cc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnn(C)n2)c2ccccc2n1 1289352320 DTQRGJZFPANWHS-CYBMUJFWSA-N 402.466 1.969 30 10 HDEE C=CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)[C@@H]3C2)CCOCC1 1289829462 LMKGVCHSBSDQPA-JLPZLSSXSA-N 400.519 1.842 30 10 HDEE COc1ccc([C@@H](CNC(=O)c2cccc(C#CCO)c2)N2CCOCC2)cc1OC 1290547302 KFTCCLZOANOQJD-OAQYLSRUSA-N 424.497 1.851 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c(OC)c1 1291980067 HJUZFXPGLAJPER-UHFFFAOYSA-N 410.430 1.583 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@@H]1COCCO1 1293114088 RVPXVQDBGADUSP-HZPDHXFCSA-N 412.498 1.023 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC=CCC1 1298283608 IZEWJHGYMKEFMY-IBGZPJMESA-N 405.506 1.999 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1300365314 ULBASZSMHJGFQZ-CVEARBPZSA-N 407.540 1.076 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N(C)C 1300537683 IHFXZDWNWFTLJD-RTBURBONSA-N 419.595 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1 1300577851 CVZKNLBUURRARS-INIZCTEOSA-N 406.577 1.929 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1301391912 ZPJXIQXLEPFYGW-INIZCTEOSA-N 402.524 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@]2(CCOC2)C1 1301483660 SQXNCGQFLQPCIU-HXUWFJFHSA-N 417.897 1.896 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCOC1 1301509193 BYZPSOWGNLRNSS-QGZVFWFLSA-N 401.515 1.305 30 10 HDEE COCCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301541235 WXCQLXPVAXNOKF-IRXDYDNUSA-N 401.515 1.222 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCCO1 1301588807 JPBXGKWZVWQYKB-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(C)c2ccccc2C1 1301592733 DBHOHPKUQDCAQZ-UHFFFAOYSA-N 419.551 1.872 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCN1CCSCC1 1301806435 HCVLBKQZGBSFKD-UHFFFAOYSA-N 402.528 1.150 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccccn3)nnc2N2CCC(CC#N)CC2)CC1 1302427118 GQGYBBUXSOONMB-UHFFFAOYSA-N 414.535 1.971 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)C1 1302436179 DQYDGCROUZRLDT-IBQBPIARSA-N 413.522 1.972 30 10 HDEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1303596842 DXQQDSWXJAKHBS-IRXDYDNUSA-N 420.473 1.500 30 10 HDEE C#CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NCCC(C)C)cc2)CC1 1307325421 LYHBAKMTVVFCEK-UHFFFAOYSA-N 407.536 1.167 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1309498018 DOMACRHYBDCREB-DGCLKSJQSA-N 422.320 1.665 30 10 HDEE CO[C@]1(Cn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCOC1 1315283895 VCOLVKUJNBWJRY-NRFANRHFSA-N 412.494 1.817 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](O)c1ccc(C#N)cc1 1319951841 FHNNHGVYEBWYDH-DLBZAZTESA-N 417.462 1.603 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1320349578 AEZQEVGLIUBGGK-DOTOQJQBSA-N 424.519 1.032 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1 1357823271 ITPRYNUMRPCGQL-UHFFFAOYSA-N 401.463 1.160 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1358924317 SIYUPHBDGTXZKM-LPHOPBHVSA-N 422.493 1.574 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1358966608 SGDAUKMOXDTNPR-KRWDZBQOSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCOC1 1358976952 YIOLZJQBZXKYQP-KRWDZBQOSA-N 416.485 1.691 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1359006634 CPSYSWLPUWOPTB-UHFFFAOYSA-N 415.519 1.947 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC[S@](=O)C(C)(C)C 1359026151 MVRPTJOBEUSNET-NDEPHWFRSA-N 403.552 1.897 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccccn2)CC1 1359031195 SZJCQEFFFKSONP-QFIPXVFZSA-N 410.522 1.323 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(OC)cc2)CC1 1359035462 UXZOPMRWAQUKFS-LJQANCHMSA-N 408.506 1.236 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359056387 DPOWIFRBWDZHTM-OAGGEKHMSA-N 412.581 1.408 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359154748 AHYFGEZDNKAGPU-MRXNPFEDSA-N 418.933 1.933 30 10 HDEE C=CCN(c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359252885 JUOFZMBSRQIDNR-NRFANRHFSA-N 416.547 1.768 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1359298829 MWLPHZMHMQPVEQ-PMPSAXMXSA-N 404.515 1.173 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1359301631 FFAWKOSUSQQZBM-MRXNPFEDSA-N 400.502 1.841 30 10 HDEE CCc1ccc(C(=O)Nc2nn(C)cc2C#N)cc1S(=O)(=O)N1CCOCC1 1361160024 AABWGSNTIKMUOA-UHFFFAOYSA-N 403.464 1.127 30 10 HDEE C#CCN(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1442020414 VYLVSKCBOJXLEY-LZDOZHLXSA-N 410.536 1.839 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1443536247 KVXIPZMAKRFRGV-VTDBDBTRSA-N 418.494 1.666 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1443909741 BMOCRBIXJOZEMK-MLBPIDQTSA-N 413.540 1.713 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC(C(=O)NCCCO)CC1 1445945255 UDHGMFLDJJEQKV-UHFFFAOYSA-N 400.479 1.404 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1451224333 ADYFEVZKOOGWSO-RDTXWAMCSA-N 408.524 1.397 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C 1452946582 GJBJPWCETGEADX-JKIFEVAISA-N 421.519 1.946 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1452948102 QXIMUVZMLKSWES-LJQANCHMSA-N 407.536 1.892 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)n2ncc(C#N)c2N)cc1 1454242668 GGTAHTGWVNCGRF-UHFFFAOYSA-N 411.443 1.859 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)CC1 1455927241 OKJDXAZERVETIW-HXUWFJFHSA-N 401.463 1.392 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCC#C[C@H]2CCCCO2)cn1 1457025581 BIABGYFCFSFKJW-CQSZACIVSA-N 408.505 1.585 30 10 HDEE Cc1oc(NC(=O)[C@@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1460645751 VPQNIJSKACDNPT-ZBFHGGJFSA-N 408.524 1.290 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCN2CCCO)cc1 1465259513 WKWNBUMDMQPUBF-QGZVFWFLSA-N 410.540 1.461 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1465334157 YFAMMCMIVQIFJU-XKAFOEQXSA-N 417.535 1.719 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1466522774 WUVSXAWWGCZBLK-QMMMGPOBSA-N 411.705 1.664 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1 1466735739 AQANGKZPDVLCHL-CQSZACIVSA-N 415.471 1.121 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1467120134 IBHSNVGSOPUGLL-UHFFFAOYSA-N 416.463 1.576 30 10 HDEE N#Cc1ccccc1NC1CCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)CC1 1473683780 SZYJAWVFJJAELM-UHFFFAOYSA-N 421.501 1.615 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)C1=O 1476921103 XYXNMFAPPQTCFP-GUNSETOZSA-N 421.523 1.652 30 10 HDEE Cc1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492820043 BJCDKSNIKOJCKM-VHEBQXMUSA-N 400.483 1.508 30 10 HDEE CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1501881802 YCDSLULNLKLOSX-INIZCTEOSA-N 411.466 1.563 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1507610714 HBUQBGWMOKKIIF-UHFFFAOYSA-N 414.510 1.311 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1507660609 BTFZPOJATBABRP-JQVVWYNYSA-N 416.522 1.322 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H]1CCCCO1 1507702770 NSMICTDYBZKXDA-KRWDZBQOSA-N 412.494 1.971 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1507712186 SLLFVRHUFHFSOH-SFHVURJKSA-N 401.511 1.901 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2ncn(C)n2)CC1 1507731723 BDJNATKGMSXHEA-UHFFFAOYSA-N 420.521 1.352 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1507750160 KOEVBFOESKRADG-CQSZACIVSA-N 408.553 1.361 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1507936107 XWBMQCVRWWKNCW-CQSZACIVSA-N 419.498 1.813 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1)C1CC1 1507993703 SYBAEDTUDSUVGT-INIZCTEOSA-N 415.519 1.482 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCOC1 1519167382 BNPSUJQJDDAXAI-KRWDZBQOSA-N 409.494 1.920 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C(F)(F)n2cc(-c3ccccc3)nn2)n1 1525223056 AJQHOOXKRBAYAY-UHFFFAOYSA-N 414.416 1.999 30 10 HDEE C=CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1533764682 XUFNWTQTGSIDMY-OAHLLOKOSA-N 424.519 1.763 30 10 HDEE Cc1c(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cnn1CCC#N 1536039730 TXTYRSBZAKLVSB-OAHLLOKOSA-N 407.430 1.242 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1OC 1536664862 MVSFIACNRNYREJ-HXUWFJFHSA-N 409.442 1.905 30 10 HDEE Cc1ccc(C)c(N2N=C(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC2=O)c1 1538308865 XUYLURQRLIKVHC-YWZLYKJASA-N 414.487 1.183 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCO[C@@H](c3ccc(C#N)cc3)C1)C2=O 1538556627 UWEUOQZCUZCOCW-LDJQZATESA-N 410.474 1.959 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1539139477 ITBJNSBQUNCWDN-IEBWSBKVSA-N 402.543 1.217 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1539311679 WRDGXMIYPLMHDI-UHFFFAOYSA-N 405.437 1.700 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1540869035 ABFBAMQSNRRIKB-HRCADAONSA-N 416.526 1.315 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1541806251 HHJOEKGIDKEXLM-AWEZNQCLSA-N 424.502 1.626 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccc(O)c1 1541917400 BODZMXREKRSEFI-CQSZACIVSA-N 418.523 1.772 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)s1 1543103179 OXQDSBFFUIBSSJ-PXAZEXFGSA-N 404.475 1.464 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1547749844 AWWRNMHZPMBHQO-UHFFFAOYSA-N 401.515 1.303 30 10 HDEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)n1 1554341208 GESNROHBKNXBSO-UHFFFAOYSA-N 420.477 1.031 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O)C(=O)OC 1556375959 XNGYFMAPWRCYMI-QAETUUGQSA-N 406.479 1.213 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1556603478 GEDGAYRJSHNHNL-VQIMIIECSA-N 420.473 1.066 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCN2CCOCC2)CC2CC2)c1 1557639525 OZDSEOMFQKYKQJ-UHFFFAOYSA-N 409.483 1.307 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 1558073129 MIZVXUSNRBHTFJ-AWEZNQCLSA-N 417.453 1.811 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1558751191 PNRMYSSIFAOADQ-AEFFLSMTSA-N 408.495 1.915 30 10 HDEE CCON(CC)C(=O)CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1565078564 MKFLMBOIQNOGMP-UHFFFAOYSA-N 401.467 1.718 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(C(F)(F)F)nc1 1565297779 MJYWFMWDYUAHEM-GMXABZIVSA-N 402.398 1.741 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1568251814 BZZKLDCYAWJUBY-KCXAZCMYSA-N 402.900 1.077 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)OC)C(=O)OC 1568616169 QBZNPNJYTVDWBM-NEPJUHHUSA-N 406.863 1.633 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)C4CCC4)cc3)C[C@H]1CS(=O)(=O)C2 1585660743 VMTPQLLEYJSTRJ-KBXCAEBGSA-N 408.501 1.023 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1 1586932032 KVXVVMMKBNYJSC-UHFFFAOYSA-N 412.511 1.794 30 10 HDEE C=CCOCCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1587499601 WYGOLBOIAPBZNG-UHFFFAOYSA-N 402.900 1.683 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1587568151 NQQFGKUYHNRCTB-QRWLVFNGSA-N 401.467 1.298 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1587683359 IJWHPVLGGMGRQW-SOADLSRISA-N 404.511 1.798 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N(CC)CCCC)cc2)CC1 1588199776 ZSZZUALKMMRLCC-UHFFFAOYSA-N 406.552 1.538 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588262768 KZAMMKLPLHLMLV-UTKZUKDTSA-N 403.527 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@](=O)CC)CC1 1588780338 MBGANBRQUSQIBK-HHHXNRCGSA-N 406.943 1.517 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)[C@@H]1CC 1589560184 XSWNWUOYMHBCMF-BJLQDIEVSA-N 410.522 1.960 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1cc[nH]n1 1595317902 HCFCSKSVWSXOHE-UHFFFAOYSA-N 413.478 1.951 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)CC(F)(F)F)C1 1595713435 AAFWGPYYTHBSJK-HNNXBMFYSA-N 413.448 1.954 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOC(C)(C)C2)C1 1595722967 PJPVNMRIZCJCHV-ZWKOTPCHSA-N 405.543 1.674 30 10 HDEE CC(C)OCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1611003301 JABYFMQQSXHAHD-HNNXBMFYSA-N 412.560 1.833 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](C)N(C)C)nnc12 1611588507 UCOCEIJAEJCKRJ-CQSZACIVSA-N 414.535 1.779 30 10 HDEE O=C(N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(n2cnnn2)CC1 1616293022 LWQMTJLKLYZGTE-RNFRBKRXSA-N 405.249 1.792 30 10 HDEE O=C1C=COC2(CCN(C(=O)C3CCN(S(=O)(=O)c4ccccc4)CC3)CC2)C1 1617947221 MASCSIDDFWKBBZ-UHFFFAOYSA-N 418.515 1.952 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1618848795 GAIAHNYLWGAWAX-CYBMUJFWSA-N 400.439 1.319 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC(=O)NCC2CC2)cc1 1620349056 DZBUZKAGLVIQBF-UHFFFAOYSA-N 407.478 1.045 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CCO1 1620354543 HQLIYXXEEMMFEM-HNNXBMFYSA-N 407.409 1.842 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1624465703 SQLDFYRTOUKFAR-CABCVRRESA-N 416.544 1.361 30 10 HDEE COC(=O)CCN(CC#N)C(=O)COc1cccc(I)c1 1624565981 ZYTOCVYKQCLQMX-UHFFFAOYSA-N 402.188 1.585 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1C#N 1625861771 ZMTGVTOESQVPCK-SWLSCSKDSA-N 414.325 1.697 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(Cl)c(F)c2N2CCOCC2)c(=O)nc1O 1625970399 BMZVTDIVBYCBKH-UHFFFAOYSA-N 407.789 1.088 30 10 HDEE CCOC1CC(O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1626267875 RRIMNYGYVFQEOZ-DNYSKNHDSA-N 407.511 1.819 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1626807433 KCIDQJSRZWEKBP-UHFFFAOYSA-N 413.459 1.142 30 10 HDEE COC(=O)C[C@H]1COCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1629133198 YXTVLOFTSDBIOH-INIZCTEOSA-N 403.284 1.698 30 10 HDEE C#CC[C@H](NC(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C)C(=O)OC 1629612630 LKKPIFMFWFXZSP-KRWDZBQOSA-N 408.520 1.578 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1631479139 AUYMWJNEUZJJSF-OAHLLOKOSA-N 411.499 1.375 30 10 HDEE C=CCCOCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1633406632 DWNMSSWBLKZWBI-HKUYNNGSSA-N 410.536 1.643 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OC)CC(OC)OC)cc2C1=O 1633815297 IAHODFUDTYYLDB-UHFFFAOYSA-N 404.419 1.093 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1636393356 JJKJQQHUCVUCEU-CWRNSKLLSA-N 415.247 1.428 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1636623584 SBNMNLOVVOTCAN-CQSZACIVSA-N 404.400 1.395 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)s1 1636677978 YNKJKEAJRHCETJ-VIFPVBQESA-N 422.397 1.430 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1sc(CS(C)(=O)=O)nc1C 1640923891 CFIKPLQGEUWWAL-UHFFFAOYSA-N 400.522 1.342 30 10 HDEE CC(C)(C)N1CC[C@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1641338034 YSVBWVKGPAQTDI-OAHLLOKOSA-N 406.552 1.742 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1643726119 WJCNKGWVLSQBMO-HNNXBMFYSA-N 402.557 1.265 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1644429089 OAZRIGLURIHCHR-ZACQAIPSSA-N 406.548 1.660 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Cc1ccc(F)cc1)n1nnnc1C 1644596651 LMFZYNZJZHANPV-QGZVFWFLSA-N 401.442 1.708 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CCO2)cc1 1647998401 NDYJBKNOROXBNW-QGZVFWFLSA-N 421.425 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(CCC#N)CC3)nn2)C1 1648962949 FSWMGYCGFITROT-INIZCTEOSA-N 417.514 1.522 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCN(CCC#N)CC1 1648963220 QCVXKJUGJBRAKN-QPSCCSFWSA-N 412.412 1.030 30 10 HDEE N#Cc1nccc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1 1654876983 FOZMZRICFHOMQR-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1)C(=O)OCC 1664951742 PMVLYLJZNZVBRR-GJZGRUSLSA-N 409.932 1.956 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CC1 1667938736 SBUWGSXGCALZOB-UHFFFAOYSA-N 401.463 1.550 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 1671635284 UKQXZZFBJGGFDS-UHFFFAOYSA-N 422.503 1.032 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1673202563 KJQMEDVXNOBTPZ-UHFFFAOYSA-N 415.538 1.306 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1c(Br)cnn1C 1675166782 AMGHUEFSMPKDSQ-LLVKDONJSA-N 419.287 1.265 30 10 HDEE C#C[C@H](NC(=O)NCCC(=O)N1CCN(C)CC1)c1ccc(Br)cc1 1675452308 PCWGFTOOBXOVEQ-INIZCTEOSA-N 407.312 1.587 30 10 HDEE C#CCSCCNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675516134 GHKGESPNDSFQHP-UHFFFAOYSA-N 422.555 1.839 30 10 HDEE C#CCC1(O)CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 1677445799 QMWHXBSHTVYHSR-UHFFFAOYSA-N 411.446 1.108 30 10 HDEE C=CCn1cc(CNC(=O)N(C)Cc2cccc(N3C[C@H](C)CS3(=O)=O)c2)nn1 1683482807 BJJZZNKKUYBQJW-HNNXBMFYSA-N 418.523 1.592 30 10 HDEE CN(CC(F)(F)C(F)(F)F)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1684220135 ITQWCHQZOFCXDR-UHFFFAOYSA-N 412.237 1.850 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 1687765379 OPZLXUXPNYBJQP-KGLIPLIRSA-N 417.470 1.119 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1689851466 REPJNROGVCQOHC-NVXWUHKLSA-N 418.567 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1689859329 YOTMNFZDZOMSMD-YJBOKZPZSA-N 424.505 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C(C)C 1689860790 HLTONMZNVDHLGY-HNNXBMFYSA-N 416.551 1.890 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1689989268 CPISCTDOKGEUQG-KBPBESRZSA-N 420.457 1.751 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690157917 SFZBKXDHMQMGDH-RRFJBIMHSA-N 410.496 1.483 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC)C1 1690190346 RUSUVVNTCMENNE-TXPKVOOTSA-N 408.572 1.222 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690507031 AWWBYYYYDNIFCT-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(CC)C1CCCCC1 1690661301 ZAFHRZQRPDDERR-AWEZNQCLSA-N 412.560 1.350 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1690670048 XDMUVKHFMURTGI-QGZVFWFLSA-N 402.543 1.396 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1690674226 SZQGVGMYSQOIPN-UHFFFAOYSA-N 421.427 1.904 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690675025 NRDGDDQSZXWPAQ-HXUWFJFHSA-N 424.549 1.861 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1690971419 QXZQGXLZPZISOK-NRFANRHFSA-N 410.478 1.339 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1691010041 BPPNYNJCHOYCIJ-RCCFBDPRSA-N 417.558 1.668 30 10 HDEE CC(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1692554259 SNEDFJCJGQUOEB-SJLPKXTDSA-N 415.542 1.263 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1692659752 ABAHPYPIGZHQPW-AWEZNQCLSA-N 412.585 1.348 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)F)c1 1693225928 DIGBTQJIKDFXLB-OAHLLOKOSA-N 420.420 1.276 30 10 HDEE Cc1nc(CCn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1693370378 KEXXWVFFZIQBKI-AUUYWEPGSA-N 402.503 1.726 30 10 HDEE C=C(Cl)Cn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1705753300 WIKIOQWVEDASKC-OAHLLOKOSA-N 410.950 1.571 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CCCOC)CC1 1705769403 RJFACXNXIQHMMD-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1705792226 PMWBPOKVMDPKGO-OAHLLOKOSA-N 421.567 1.594 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705876360 WCLUMGCLQXRHNV-HNNXBMFYSA-N 407.540 1.404 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1706649827 UFIDMLHRPMSDDT-LJQANCHMSA-N 423.521 1.852 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(CCOC)CC1 1708756605 FJYOVQKTELYVKI-INIZCTEOSA-N 404.515 1.742 30 10 HDEE CC[S@@](=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710905483 MNXIICTYZBNAAK-MUUNZHRXSA-N 401.540 1.763 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)n1 1722408717 PVTYHBFQTNFPGD-UHFFFAOYSA-N 407.478 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722697527 KZHGZUBJAWAJRE-MRXNPFEDSA-N 418.523 1.046 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1726746030 MPRGSYQPFRQJOT-UFOSLELVSA-N 411.466 1.035 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1731181263 NHEJQGMUKVXLEI-RVKKMQEKSA-N 411.503 1.581 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1740576895 KXEXASKFVCINEJ-UHFFFAOYSA-N 410.526 1.712 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740588888 IRXFRBOWLHTQBI-GOSISDBHSA-N 412.538 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)cc1 1740659131 USNZFSCWHZLTGN-UHFFFAOYSA-N 415.501 1.750 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740885309 DECHGPBMTFAYEG-CABCVRRESA-N 417.470 1.091 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCS(=O)(=O)C1 1740903397 AKVNCFXNSNMACZ-AWEZNQCLSA-N 423.564 1.717 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1740941206 FEPCLGQFWVYSRV-MRXNPFEDSA-N 411.572 1.303 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1740941475 LUNLLXJIQOEZJZ-QGZVFWFLSA-N 409.556 1.081 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1743245641 QGNICCCMYXERBG-GJZGRUSLSA-N 402.524 1.848 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1743381127 APEXCTGIZBYQCT-QVKFZJNVSA-N 407.478 1.727 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1743781791 FAALZAZUTFNNJZ-GOEBONIOSA-N 418.523 1.477 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1748170172 HXBMCJLSJOZVGT-GCJKJVERSA-N 424.505 1.585 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1748756547 QHYJOUQMHIMIFY-IBGZPJMESA-N 423.565 1.714 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1748814571 GQZOHRDBYAGYQX-KRWDZBQOSA-N 414.535 1.513 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[C@H]2CCCCO2)CC1 1748991125 QTVHJZKTEBNOMS-QZTJIDSGSA-N 400.527 1.334 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCOc2ccc3c(c2)OCO3)CC1 1748999656 ADJCMCIFCXHCIL-UHFFFAOYSA-N 413.478 1.378 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749139111 BJAHZZPMRLVZNY-DFGXFYAUSA-N 405.499 1.731 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1749221100 YSOXPGKOVWBPKH-UHFFFAOYSA-N 409.494 1.533 30 10 HDEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749466535 SZAFWKWXWJZTKV-HXUWFJFHSA-N 416.547 1.920 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1749626080 NCOMTPHUKWDSHZ-CVEARBPZSA-N 413.457 1.955 30 10 HDEE C=CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1749764302 YNZXBOBDLCVJBL-VQTJNVASSA-N 421.567 1.708 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1760098322 QVVQWYXAHFEZAQ-HRCADAONSA-N 405.524 1.814 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1760163556 WKHDPMIMVRDJTJ-OAHLLOKOSA-N 405.524 1.517 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1760256707 IWTNDQCWTVRUEC-ZCNNSNEGSA-N 419.570 1.818 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C2CC2)CC1 1760262253 KERGQAYWWDTFPA-UHFFFAOYSA-N 410.497 1.289 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760346441 ZYTDQJNFESOWSB-KGLIPLIRSA-N 408.484 1.026 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760441027 WOYBELSLQPONJK-GJZGRUSLSA-N 411.528 1.423 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1760465092 WSYTUDSGUWRWCP-CQSZACIVSA-N 413.544 1.717 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)o1 1761750638 DYYBHIVPNZFNOJ-OAHLLOKOSA-N 400.336 1.967 30 10 HDEE COCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771030558 WANBDVRTJUPLQJ-LJQANCHMSA-N 412.542 1.743 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1849840354 GCIXVPJWYVJYKJ-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE COc1ccc2nc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)cc(OC)c2c1 1851824735 MVFUDCANDFRSIJ-UHFFFAOYSA-N 404.430 1.876 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1ncccn1 1853070846 YCEPUNJDCVCNIB-UHFFFAOYSA-N 407.418 1.104 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C(=O)C2)C1 1853611266 PAROEVKBHZZJIU-LPHOPBHVSA-N 414.481 1.110 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccnc3Cl)C(=O)C2)cc1 1854031654 DRGKLMDAOCTIGC-UHFFFAOYSA-N 418.862 1.209 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C(=O)[C@H]1C 1854735879 RXAMDCURILQBAL-CVEARBPZSA-N 413.474 1.446 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4cccnc4n3)C(=O)C2)C1 1855046774 PDOGASSXIBWHOR-FUHWJXTLSA-N 406.490 1.681 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCN(C)CC34CCCC4)CCC2=O)CC1=O 1855412762 XEIYOKWPPRUKOR-RTBURBONSA-N 416.566 1.346 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCN(c4ncccn4)CC3)C2=O)c1 1855700472 MEJASEHHICGPMI-IBGZPJMESA-N 404.474 1.692 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC[C@@H](Oc4ncccn4)C3)CC2=O)cc1 1855717430 XNRILIGJYSEEOL-PKOBYXMFSA-N 405.458 1.880 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cccc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1856232118 KTZXJUUDOPROFY-AWEZNQCLSA-N 424.892 1.811 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)COc3ccc4c(c3)OCO4)C(=O)C2)C1 1856843484 FRPNSMVULKKFAC-MRXNPFEDSA-N 401.463 1.115 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C)cc3C)C2)CC1=O 1856902063 ICGDUAKOCOUDAS-CVEARBPZSA-N 408.476 1.186 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)cc1 1857321047 SYZQWFRUEGEMAH-IBGZPJMESA-N 416.472 1.891 30 10 HDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861614259 ZROBKAGNFRKHEF-OPAMFIHVSA-N 415.490 1.803 30 10 HDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CO)CC1 1869929610 JSXXCCQJJNPQTJ-HNNXBMFYSA-N 411.549 1.078 30 10 HDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1F 1870144178 RDGOELGYEXONBN-UHFFFAOYSA-N 404.361 1.821 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1CCOC 1870543666 UESHAIDPOGYHAW-IBGZPJMESA-N 419.522 1.343 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1ccc(C(=O)OC)cc1 1874499625 WFIUOIILWQFIES-KEBDBYFISA-N 405.480 1.712 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)cs1 1890354596 XRQCUQQSKUMTQM-LBPRGKRZSA-N 400.460 1.603 30 10 HDEE CN=c1nc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(Br)c[nH]1 1914900932 HTRAXBVKNLNKRN-AWEZNQCLSA-N 415.295 1.553 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCOCCC#N 2074667708 UICDTJAKAIQAEN-HNNXBMFYSA-N 412.464 1.490 30 10 HDEE NCC#Cc1cc(Cn2ccnc2CCCN2C(=O)c3ccccc3C2=O)ns1 2139783236 RLZPFNAWRFQKNC-UHFFFAOYSA-N 405.483 1.927 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2141606232 GRTCJBZZVZIAHI-FOIQADDNSA-N 422.478 1.455 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2141609900 GRTCJBZZVZIAHI-FOIQADDNSA-N 422.478 1.455 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N[C@@H](C1CC1)C(F)(F)C(=O)O)C(F)(F)F 2180581283 NGOUJFSUPQUCJP-SSDLBLMSSA-N 400.222 1.601 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186628472 QCGHZLMZPFEGRO-GHMZBOCLSA-N 403.331 1.589 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)C[C@H]3CCCO3)ccc2Cl)OC1(C)C 2241160744 YIQKYUDSARNVFS-LLVKDONJSA-N 402.709 1.955 30 10 HDEE Cn1ncc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243370718 RCAUYEOAHLFGRW-QWHCGFSZSA-N 406.292 1.115 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)n1 2247825227 AMMSGUHFDIQNSX-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827906 KNEILLYEXOWEKC-FQEVSTJZSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247828484 OILPBYOJOBBGSI-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2247911123 SRIPEEIRWRVIKK-UHFFFAOYSA-N 412.295 1.556 30 10 HDEE Cn1nc(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2255840282 KIVMCYCBPMASSN-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE C#C[C@H](C1CC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258173503 ZRRDOHFGRDJMJE-DLBZAZTESA-N 408.476 1.128 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320455 IUJKSHGBZPQCBK-VDBVYFBLSA-N 419.399 1.497 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCOC[C@H]1F 2282325433 FDPPORUMRCIYCK-NEPJUHHUSA-N 405.322 1.761 30 10 HDEE CO[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282505414 CZFJREBTTFSFLD-OCCSQVGLSA-N 401.359 1.986 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282512042 QRQTXAHIHZYUEZ-UOXLDJKESA-N 421.415 1.624 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@](C)(CN)C1 2282824378 BFCKFNUUCAJEDV-KRWDZBQOSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2C[C@H](CN)C2)OC1(C)C 2282828109 IVZHNWCDMJFPIA-HAQNSBGRSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@@H](O)C2)OC1(C)C 2282832721 RFLDTWLUXOHAOF-TXEJJXNPSA-N 401.721 1.688 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282839517 FJYUKTHVUAOXSP-CHWSQXEVSA-N 401.359 1.713 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CO)c3cscn3)c2)OC1(C)C 2282852347 NYZCUMXXQLSOQM-NSHDSACASA-N 416.355 1.516 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1CN 2282852359 OCYBEMVIWRVPQC-STQMWFEESA-N 400.375 1.795 30 10 HDEE C[C@H]1CN[C@@H](C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282853668 HBLWBADFKYNRMC-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@]34COC[C@H]3C4(F)F)c2)OC1(C)C 2282860363 YXHWWVHTGINNAF-YGRLFVJLSA-N 407.269 1.360 30 10 HDEE CN(C)c1ncc(-c2cnc(=N)[nH]c2)c(C2CCN(c3nccc(C#N)n3)CC2)n1 2296587758 OQKVXAAEBQDPPY-UHFFFAOYSA-N 402.466 1.458 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCOCC1 2365188430 LALLEMOCRTZYGL-HNNXBMFYSA-N 403.541 1.886 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365198834 JDASXSKYQGHBST-FRRDWIJNSA-N 410.483 1.146 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2365199079 LFWVOAHYDIEQOE-BZUAXINKSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 2365204861 PCMRULXWNYALNJ-KXBFYZLASA-N 402.557 1.817 30 10 HDEE C[C@@H](NS(=O)(=O)CCOCCF)c1nscc1B1OC(C)(C)C(C)(C)O1 2365573282 LLPOQCZNPDVWOS-LLVKDONJSA-N 408.326 1.409 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2380184549 TUNXTRIREYCXPT-UHFFFAOYSA-N 403.501 1.349 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C)c(S(=O)(=O)NC)c3)cc2C1=O 28321730 PMXXFRCUWZQRPS-UHFFFAOYSA-N 413.455 1.937 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)CC1 45896956 YHIWZGZEFVTCIX-UHFFFAOYSA-N 407.518 1.729 30 10 HDEE Cc1cc(Br)c(S(=O)(=O)NC/C(N)=N/O)cc1Br 158630081 KPGANQXLWMXXTM-UHFFFAOYSA-N 401.080 1.545 30 10 HDEE NC(=O)[C@@H](C/N=C(/N)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(F)cc1 303884028 MNMDRCBDXRFQNW-MRXNPFEDSA-N 401.461 1.746 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 434777324 PIYYYCUDIMIGCB-ZFWWWQNUSA-N 406.426 1.926 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)Nc3ccn(CCC#N)n3)CC2)s1 438317794 BWHUYNBIIUPCEP-UHFFFAOYSA-N 403.468 1.784 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(Cl)cc1C#N 438803281 GEJNFRPLMKGZNN-SNVBAGLBSA-N 411.892 1.999 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 439759364 UUTSJFRIMCOXCD-UHFFFAOYSA-N 417.469 1.972 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446922396 YARMYWNGEKSUCF-YGRLFVJLSA-N 415.397 1.378 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 461744674 GBKBVYZBKSCEGB-SJLPKXTDSA-N 407.478 1.410 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)CC1 465403878 MTQKCTISEDZXKV-UHFFFAOYSA-N 408.499 1.262 30 10 HDEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)NCCOc2ccc(C#N)cc2)c1 465840348 GXJAPKWSGJVYGN-AWEZNQCLSA-N 402.476 1.906 30 10 HDEE COc1ccc(C(=O)c2c(NC(=O)[C@@H](C)n3cnc(C#N)n3)nc3n2CCC3)cc1 466330686 ZVJPMUMQIMUMNP-GFCCVEGCSA-N 405.418 1.732 30 10 HDEE Cn1ccnc(N2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1=O 467170756 QRVDNBWLMKXEJO-UHFFFAOYSA-N 412.519 1.353 30 10 HDEE Cc1nnc(CN(C)CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n1C 470848222 KGIXXTCODWRGFX-UHFFFAOYSA-N 409.494 1.777 30 10 HDEE COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 482493311 FTUCXINUJWUFLV-FZKQIMNGSA-N 405.451 1.868 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCOC1 504278020 BCLXYUBIHGNJBN-NVXWUHKLSA-N 406.508 1.389 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC[C@@H](C(N)=O)C3)CC2)cc1 505187381 LFQBJNUUBKFUJV-SJORKVTESA-N 418.519 1.119 30 10 HDEE COC(=O)Cc1c(C(=O)OC)sc2[nH]c(CN3CCC(C)(C#N)CC3)nc(=O)c12 506035821 JJTQDVWLNPVZHW-UHFFFAOYSA-N 418.475 1.612 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 508842857 ZTLNEMCRXZWOMJ-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 508952386 QGFDLNMYKATZLM-QGZVFWFLSA-N 401.442 1.540 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC[C@H]2CS(N)(=O)=O)sc2c1CCCCC2 510660858 UAFKITJRUJZULO-ZDUSSCGKSA-N 410.565 1.970 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 518639217 LIAYXKMVBURVNM-INIZCTEOSA-N 419.478 1.364 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 538970692 RJOBJSHGOFEVGW-HNNXBMFYSA-N 405.436 1.579 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc4c3CCCC4)CC2)cc1 539749090 NMGIITFOBVTVRD-UHFFFAOYSA-N 413.503 1.167 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)CSc1ccc(C#N)c(C(F)(F)F)c1 541075180 UMIMBLACXQFJRT-UHFFFAOYSA-N 401.410 1.986 30 10 HDEE CC(C)OCCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542122748 IPFFLIOPLYBOGU-UHFFFAOYSA-N 408.524 1.779 30 10 HDEE N#CCCn1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 544589083 NKFKIGYJBWYFRA-KRWDZBQOSA-N 410.434 1.529 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2CCOC[C@@H]2C1 549265738 ITUQSSDOIDIARQ-SFHVURJKSA-N 407.482 1.018 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 567064457 UGKQBQMDYDZMBI-HKUYNNGSSA-N 406.504 1.157 30 10 HDEE C=CCn1c(-c2ncccc2C)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 583700611 OVKXNDCRAVMVLT-UHFFFAOYSA-N 402.524 1.839 30 10 HDEE CN1C(=O)COc2ccc(N(Cc3ccc(C#N)cc3)S(=O)(=O)N(C)C)cc21 586235870 CNPBFEZEKAFOGU-UHFFFAOYSA-N 400.460 1.726 30 10 HDEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 587415992 JEMAOPQLPRTDFJ-RISCZKNCSA-N 405.398 1.670 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccncc1 589163958 GSHJRPYEDPAPHV-GHTZIAJQSA-N 401.511 1.142 30 10 HDEE CN(C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)cc1F 608798736 FFQSGKXBASWUIS-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)c1 608857059 NXTKBHYXRPSUGO-UHFFFAOYSA-N 420.878 1.889 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1=O 611973753 LBZJDJWYMZQQLI-MOPGFXCFSA-N 406.490 1.568 30 10 HDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@](O)(C(F)(F)F)C1 677825827 KISWEIQCWJWPJY-LLVKDONJSA-N 411.249 1.971 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)cc1F 729672615 XZGIIGOCNXQHPZ-UHFFFAOYSA-N 417.425 1.721 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cn1 735069235 PNHMCVKFJBCJBJ-MRXNPFEDSA-N 414.531 1.423 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOCC)c2=O)cn1 735069637 XETLSJCHBIUBFJ-UHFFFAOYSA-N 414.531 1.425 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc2c(c1)OC(F)(F)O2 741340066 BYKPUBRCOGRTEC-MSUUIHNZSA-N 423.328 1.406 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 744553455 LTOXERQZAROSQE-INIZCTEOSA-N 418.475 1.155 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1OC 744678772 HHCDOFWORMUNIB-SOFGYWHQSA-N 410.474 1.716 30 10 HDEE COc1ccc(CNC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1C#N 747205860 WORIYJVAZQAVPT-OAHLLOKOSA-N 403.464 1.753 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 747501222 YUEBPUHVKGSOEU-PKOBYXMFSA-N 400.479 1.947 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 763581398 QYCDZPNVCKNMQZ-RBUKOAKNSA-N 404.461 1.881 30 10 HDEE CC(C)(C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 770831539 HLVGMHVNPNRKBY-UHFFFAOYSA-N 411.439 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N(CC(=O)O)S(=O)(=O)CC2(C#N)CCCC2)C1 772199519 FIIVOHNFSHBKKQ-CQSZACIVSA-N 415.512 1.796 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC23OCCO3)cc1 773826804 UTHZQZWCTFYJDV-SEPJKUCUSA-N 407.492 1.981 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(O)(Cc2ccc(F)cc2)CC1 776136914 CZVQWPFWLUQRDS-VHEBQXMUSA-N 416.453 1.431 30 10 HDEE COC[C@H](CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N)OC 781104411 UILHQXGFBOJZIA-DOTOQJQBSA-N 416.503 1.820 30 10 HDEE Cn1c(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nnc1C1CCC1 783117297 QWJXUPDPWJJKTN-UHFFFAOYSA-N 403.464 1.632 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(-n3ccnc3C)nc2)n1 788889339 FKWPNSHBJSFLMD-UHFFFAOYSA-N 407.478 1.764 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)c1 797631490 UGZDVHOZEJVPBN-LBPRGKRZSA-N 411.436 1.532 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 799740918 CBPVUDCCCJADAK-INIZCTEOSA-N 411.842 1.479 30 10 HDEE C#CCN(c1nnc([C@@H]2COCCO2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 812357632 RAXMJPPTXHFQHS-HOCLYGCPSA-N 422.532 1.103 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H](c2cnn(C)c2)C1 849513247 AZZXKAGRMZQTIW-OALUTQOASA-N 410.497 1.815 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)COc1ccc(C#N)c(Br)c1 1128108977 FVIJPDSKWKBZDD-HZPDHXFCSA-N 413.268 1.636 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(C(C)C)ncc2Br)CC1 1136632894 RKFLWCFMNMACJI-UHFFFAOYSA-N 422.327 1.260 30 10 HDEE C=CC1(CC(=O)N2CC[C@H](S(=O)(=O)NCC)C2)CN(C(=O)OC(C)(C)C)C1 1137896154 UGMZBALGSHQNNA-AWEZNQCLSA-N 401.529 1.340 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1 1141574049 AEOQDNKKSNGGJT-UHFFFAOYSA-N 407.471 1.576 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2ccccc2OCCC)cc1 1152035937 FZRDKWURTJLNIB-UHFFFAOYSA-N 414.483 2.000 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1152067794 FPXYQHYEZGNRKP-INIZCTEOSA-N 405.296 1.860 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1153516528 KHFCSWWQNXDLCF-CABCVRRESA-N 411.499 1.516 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1161797997 SIFVCIHSGCDHKP-UHFFFAOYSA-N 417.443 1.576 30 10 HDEE C[C@@H](CC(=O)NCc1cn(C2CCC2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 1164176386 SZYGBHGOTALVEE-LBPRGKRZSA-N 402.480 1.137 30 10 HDEE C=CCCn1cc(CNc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)nn1 1178682789 ULHXQZBLPFIOIE-UHFFFAOYSA-N 404.540 1.793 30 10 HDEE O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cccc2ccccc12 1184341382 YXNWKVXKCGZDLY-IAGOWNOFSA-N 402.472 1.593 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1196856297 FHYYFVNPPGEHBB-UHFFFAOYSA-N 416.522 1.863 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3cc(Cl)ccn3)CC2)CC1 1197936972 FKLAMVWQBHKAHE-SFHVURJKSA-N 404.946 1.549 30 10 HDEE Cc1cc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ncc1C#N 1208078643 GCTTYDOINQFVHM-QGZVFWFLSA-N 422.493 1.679 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1251318606 UBGGUFCVPAYFQF-GDBMZVCRSA-N 404.467 1.904 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnc3cc(OC)ccn23)c1 1264809453 GLTDZAIUUJEHGW-UHFFFAOYSA-N 418.453 1.830 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1286348985 RQIQXLAROPJLOS-UHFFFAOYSA-N 421.505 1.566 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286361020 YFMKRKDZZUCRMV-NRFANRHFSA-N 419.526 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](F)COC 1286362592 GDIUATYQQSKZAW-AWEZNQCLSA-N 408.503 1.601 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCCOC)CC1 1286489676 BYGRIUGVNOIMBW-UHFFFAOYSA-N 411.506 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)COC)CC1 1286491075 DGSFTWAYXLLORC-UHFFFAOYSA-N 424.549 1.902 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286496160 OOSSVHVYFHOYPN-GDBMZVCRSA-N 418.567 1.925 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286595864 KGHVZGVBKFZGGG-UHFFFAOYSA-N 401.515 1.314 30 10 HDEE C=C(C)Cn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599476 VRFMDPNFGILPLO-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCO[C@H](C)C1 1286789134 BAEPYFXLCOIGCR-MRXNPFEDSA-N 409.494 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)C)CC1 1286820901 UXDKMYYANHKMRO-KRWDZBQOSA-N 411.572 1.303 30 10 HDEE O=C1CSC[C@@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1289423863 AOBNAFNBAGEGEO-ACZMJKKPSA-N 412.302 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC(=O)NCCN2CCCCC2)CC1 1297879414 AEZOFKINIWNDAV-UHFFFAOYSA-N 420.554 1.355 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1297982962 WZLDZANIWCTIIR-UFRUDQCGSA-N 408.506 1.892 30 10 HDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1300233550 OYYOYAALMPFDPG-HNNXBMFYSA-N 415.475 1.908 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300381110 OAWFVDZAABWBNP-SFHVURJKSA-N 423.521 1.640 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCOC1 1300653855 PRHFGDXIUKWYSH-NQIIRXRSSA-N 406.527 1.831 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCS(=O)CC1 1301492250 BVEHMUYYAKJYQX-UHFFFAOYSA-N 410.503 1.364 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1301568449 SLZOICLEFAPFLF-GOSISDBHSA-N 408.528 1.147 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCSC1 1301568934 ZMINEUKFBWYYKO-CQSZACIVSA-N 413.569 1.057 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1302269861 UCHIXHOAXCEVRS-DEYYWGMASA-N 414.466 1.182 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3ncccn3)CC2)s1 1303863787 HZOFJBFJOBWVEL-UHFFFAOYSA-N 406.533 1.951 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)n1 1304187602 RNRMUKNDSWAFFZ-UHFFFAOYSA-N 404.395 1.628 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cncc(F)c3Cl)CC2)cc1 1306321445 PDZBTTFSDFDOKH-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1308100248 FGBVXLAVNBAHNF-UHFFFAOYSA-N 421.519 1.190 30 10 HDEE COCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C#N)C1 1316262391 AJMRZCFTJDZTPD-MRXNPFEDSA-N 417.466 1.354 30 10 HDEE CN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 1335816439 COXGOWNUORQNFX-UHFFFAOYSA-N 405.398 1.747 30 10 HDEE CCCCS(=O)(=O)CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1358313552 FZHODGNUPCRFIM-UHFFFAOYSA-N 400.504 1.970 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358964143 UOMZRPITBXXWHW-SJORKVTESA-N 422.551 1.225 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)cc(OC)c2)CC1 1359028629 YMOPFQYNSZCHBR-UHFFFAOYSA-N 414.485 1.368 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N2CCOCC2)CC1 1359167040 QZTRLZUPUJKBKV-UHFFFAOYSA-N 411.506 1.893 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359181482 UGTIAHZMFSAUNR-ZWKOTPCHSA-N 403.527 1.854 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2ccnc2C1 1359282692 MKAFLZIYBWNUMH-QGZVFWFLSA-N 413.526 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359297031 CBPYRQLKWWZYFA-MRXNPFEDSA-N 413.526 1.471 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1360169456 GEIKQFADPXKRFV-UHFFFAOYSA-N 423.521 1.970 30 10 HDEE C=CCn1ncc2ccc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)cc21 1439757512 ODVCXJXIEMVHDD-UHFFFAOYSA-N 404.430 1.729 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)[C@H](C#N)C1 1445369409 JREBJZGBNGKYFL-HUUCEWRRSA-N 402.426 1.908 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1446700399 RVFHTUYLQBVTTM-OAHLLOKOSA-N 413.446 1.303 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)c(F)c1 1449146988 JPLWLBBUAIKBCQ-CRAIPNDOSA-N 411.437 1.497 30 10 HDEE COC(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccncc1 1452553742 HCGYXRDFIMYXNL-INIZCTEOSA-N 405.407 1.552 30 10 HDEE C=C1CN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1453262680 JIJBOMAUYZITHM-LBPRGKRZSA-N 405.398 1.016 30 10 HDEE C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1453839640 AZIDRBQCDXNSRC-MRXNPFEDSA-N 418.453 1.995 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(Cl)cc2F)CC1 1455115070 LKDBTXYJRZWNFI-UHFFFAOYSA-N 401.891 1.369 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncccc1Br 1457209196 CFRIFLKYSWXJNO-LLVKDONJSA-N 423.292 1.699 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN(c2nc(F)c(F)cc2F)CC1 1459933949 XFTOVPNQHBASTG-UHFFFAOYSA-N 414.387 1.921 30 10 HDEE C=CC(C)(C)CCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1461786761 SQCAUBUOIWURIV-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCS2(=O)=O 1465880310 CYAXDTZPEWJSFM-MRXNPFEDSA-N 406.504 1.939 30 10 HDEE COC(=O)CCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1C 1466481293 YZLIWZVLFPUVHA-CYBMUJFWSA-N 408.296 1.959 30 10 HDEE CCOC(=O)C1=CC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1470117245 XNKMAOJJPVXDCR-CQSZACIVSA-N 405.476 1.273 30 10 HDEE C=CCOCCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1470174369 YVZNECAZXWSWCM-IEBWSBKVSA-N 410.536 1.643 30 10 HDEE C#CCC[C@H](O)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322242 RAZCXKHPBZVQDZ-IRXDYDNUSA-N 409.527 1.866 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850603 PFBXLDWPUVQVQY-YZVOILCLSA-N 418.544 1.890 30 10 HDEE N#Cc1ccc(C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1475735704 FXPGTUDSZUJIEN-UHFFFAOYSA-N 405.501 1.774 30 10 HDEE C#CCOCCC(=O)N1CCC2(CC1)C[C@@H](C)N(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1489910652 ARDDZZGNLHZSDV-KKEPMVJESA-N 400.519 1.679 30 10 HDEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)c1 1492537578 CGTKWBIVEIJVEU-OAHLLOKOSA-N 406.512 1.311 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507522804 JRCVLKBGVMNKBW-NVXWUHKLSA-N 412.519 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1507534488 PULTYGAYEYTHNZ-YOEHRIQHSA-N 412.469 1.185 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1507581094 QVAVDHVRFIELQG-QGZVFWFLSA-N 417.897 1.972 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507627104 COLSBSUJYMOTSD-OAHLLOKOSA-N 418.519 1.351 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1507654491 IPLXMCISGPHJKF-UHFFFAOYSA-N 402.458 1.328 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCN1CCCS1(=O)=O 1507655985 BAVOINXNRQDUON-UHFFFAOYSA-N 411.531 1.172 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1OCC[C@H]1C 1507712925 TUFSXSCXORUPCO-RHSMWYFYSA-N 401.467 1.517 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC2CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507773182 AJCRPHXGYPBLFP-HSZRJFAPSA-N 420.517 1.486 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOCC1 1507797585 DQTDXPHGXOTCGE-MJGOQNOKSA-N 415.542 1.428 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1COCCO1 1507817164 QNSZWZXPWJDERZ-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1507981064 IQYNACOFEAJKKY-INIZCTEOSA-N 411.572 1.038 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508080832 DXOGQESKNDUZGN-BTYIYWSLSA-N 415.469 1.771 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1508095330 NJWUUKZBGNBKFB-UHFFFAOYSA-N 418.542 1.044 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508799756 SIWSCZGZTBNXDR-IBGZPJMESA-N 422.537 1.679 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1509748071 SJYUCPKWXGTEGA-OAQYLSRUSA-N 410.478 1.337 30 10 HDEE CCC(O)(CC)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1513523351 BGVQPUJGAJGKOW-MRXNPFEDSA-N 409.556 1.861 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1519195579 RFTJAOTUBHKSGK-QINHECLXSA-N 420.489 1.109 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(S(C)(=O)=O)CC1 1519411416 YZCJBYJWWAYUDU-ILXRZTDVSA-N 411.528 1.175 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1519449147 KYNXBZCIGPAVOD-YVSFHVDLSA-N 407.515 1.792 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@@H]1O 1520645530 MBPDDVVZFQCWIX-BEFAXECRSA-N 407.478 1.718 30 10 HDEE N#CCOc1cccc(OC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1528707745 ABUIPGKDGCQKFW-UHFFFAOYSA-N 420.418 1.968 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Br 1533244023 VTBGMALYWQEMKN-LSDHHAIUSA-N 407.268 1.257 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2)CC1 1539427356 BTBACAOEBUXETP-UHFFFAOYSA-N 410.497 1.651 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1539525941 GQINZKLUUBXVEI-DLBZAZTESA-N 403.552 1.915 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539744635 RRNPYFNZIKIYSY-LAUBAEHRSA-N 418.542 1.123 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)COC)CC1 1539798415 GKZXNZCJEXFZOZ-UHFFFAOYSA-N 422.873 1.053 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539998336 GDAZGDPNEUHJLT-HZPDHXFCSA-N 422.555 1.200 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NCCOC)CC1 1540859153 JEMBOSHXBWMIDA-UHFFFAOYSA-N 423.521 1.682 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540866657 VMLOSKCOIXHPGL-LJQANCHMSA-N 417.901 1.258 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOCC3(CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876432 RAUNCQIHBXVTGO-NRFANRHFSA-N 419.526 1.238 30 10 HDEE Cc1csc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1542872026 WZDLDQLUMVDTDO-HNAYVOBHSA-N 418.523 1.861 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCC2CCN(CC#N)CC2)C1 1543478211 FNNMIZDYVVWZKS-FQEVSTJZSA-N 410.490 1.314 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1544812235 OUYSBLDVFORUGQ-YOEHRIQHSA-N 403.479 1.587 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1545145061 BGNUMRFRDQHUED-YCRPNKLZSA-N 407.478 1.727 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1548251762 SNYAVNKGBGWGKD-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1Cc1ccc(C#N)o1 1555625098 QXFOBCIIEIZLCI-CPUCHLNUSA-N 414.466 1.230 30 10 HDEE COCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1555724387 LFJRWGUWCMNQRQ-GOSISDBHSA-N 415.494 1.866 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCC1(O)CCOCC1 1555728723 VPIDSZHXOBGHGP-IKGGRYGDSA-N 407.515 1.530 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457980 VQVUYXCHQPJPNL-OKZBNKHCSA-N 412.490 1.936 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1556504415 XOMBUCZCEAFQNM-UHFFFAOYSA-N 416.485 1.073 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)cc1 1557101811 AXZKOMMAEGKNHE-GOSISDBHSA-N 401.444 1.628 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@@H](O)c2cccc(C#N)c2)C1 1559509247 XZJJHHWHDNTTHQ-RTBURBONSA-N 416.522 1.945 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OCC 1561828701 WWJFBDLAACQSHN-LBPRGKRZSA-N 413.876 1.582 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 1564417281 QTBUCSSGTXHHIX-GOEBONIOSA-N 401.435 1.137 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](O)C12CCC2 1584616682 URZYXRLMTRCTSA-UAGQMJEPSA-N 405.520 1.704 30 10 HDEE N#Cc1cn(CCNC(=O)CN(Cc2cccnc2)c2ccccc2)c(=O)nc1O 1585295370 FMDPVTYLJAHCFS-UHFFFAOYSA-N 404.430 1.039 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)Nn2ccc(O)nc2=O)c1 1586186288 LHQLDMLLEQMQDW-UHFFFAOYSA-N 421.438 1.935 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(COCC)cc1)[C@@H]1CCS(=O)(=O)C1 1588034651 JWRDPMRHADQXTF-LJQANCHMSA-N 402.520 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1588206019 ZXDYIZPQAYWXBQ-LSDHQDQOSA-N 414.469 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(C(=O)NC)c2)CC1 1588813068 VUOAJTXGDGLHCM-HXUWFJFHSA-N 422.533 1.683 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)COC)CC1 1589568295 IVQUSLNMJFUCMB-OXQOHEQNSA-N 421.542 1.527 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1593624855 BDNQZBUOGYPNOD-MRXNPFEDSA-N 401.540 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1596924607 HZXGMMIHJJPWSA-DLBZAZTESA-N 410.474 1.610 30 10 HDEE COCCCNC(=O)CN(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1597763393 UQOMSEONKRLUDI-AWEZNQCLSA-N 406.870 1.176 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1613011384 QZACXSKICKQRQT-APWZRJJASA-N 413.478 1.759 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1615934873 DXBXCMYDMMBFDP-JOCHJYFZSA-N 408.502 1.648 30 10 HDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(F)cc1 1617487932 RVZIXYGLEISXHH-XOBRGWDASA-N 416.478 1.974 30 10 HDEE CN(C)CCOCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1617703003 PPERKQVNQRZMDD-INIZCTEOSA-N 418.473 1.303 30 10 HDEE COc1cc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)ccc1C#N 1618363684 XZFASUNPZWQCTO-UHFFFAOYSA-N 414.506 1.258 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1620025837 SRQKATLFMVJGEE-UKRRQHHQSA-N 409.878 1.281 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)c1C#N 1622197175 CRGYFVNJMXTFBZ-UHFFFAOYSA-N 417.516 1.353 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CCOCC1 1622581958 BWDJCPDAAOOKEC-UHFFFAOYSA-N 416.521 1.308 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1628653115 FLMHPHXCIFMWKS-LEWJYISDSA-N 424.526 1.841 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2C(=O)N(C)Cc3ccccc32)cc1S(=O)(=O)NCC#N 1629664907 NDSOJRQOKZKYIB-SFHVURJKSA-N 412.471 1.240 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1630111411 YAFARLGOQKIMHU-HNNXBMFYSA-N 401.316 1.815 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 1630502112 XPNGLKTWUCLXRL-RTBURBONSA-N 419.547 1.524 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)nn2)C1 1630765666 HRICIYBQZITUHS-UHFFFAOYSA-N 423.477 1.878 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)Nc2ccccc2)s1 1633469178 AXFCBTVXNLLKQZ-UHFFFAOYSA-N 407.517 1.900 30 10 HDEE CC(C)CN1C[C@@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCN2C1=O 1634674706 ZBAPADIQVSCQHU-AWEZNQCLSA-N 422.482 1.341 30 10 HDEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1638460163 HYULYSXRUIXSPM-IPYPFGDCSA-N 419.482 1.218 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(NC)CCC3)nnc12 1638703913 JYGDMNVVPDRSPR-UHFFFAOYSA-N 412.519 1.581 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cnc(I)c(O)c2)C1=O 1639594917 VVXLOLOSQFODNX-JTQLQIEISA-N 401.204 1.251 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CSC1 1641188684 JIHYAWOEQAPBDA-MRXNPFEDSA-N 402.516 1.672 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCN2CCCO)C1 1641261088 ABCQKPQZQBIJOO-KRWDZBQOSA-N 421.339 1.720 30 10 HDEE C[C@@H](CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1642484904 NCSSGPRAECEKMV-AWEZNQCLSA-N 423.535 1.942 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1643960944 RIOOCMVWQNDJBW-OAHLLOKOSA-N 413.490 1.696 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1 1644282088 SYKMFHKUGUGMIH-UHFFFAOYSA-N 422.894 1.529 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1644596347 JHGNHTZFWHJXFS-QVKFZJNVSA-N 408.495 1.673 30 10 HDEE COC(=O)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 1644852463 KETPOCYPPLRJHO-CJNGLKHVSA-N 421.519 1.742 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1646393563 VVWGATVAOKGOPS-IQFISFIMSA-N 412.515 1.969 30 10 HDEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCC(Cc2ccccc2)CC1 1648155439 GNESHPAVZXJBOI-RBDMOPTHSA-N 415.559 1.726 30 10 HDEE COC(=O)c1cnc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1648160621 BKSBUTUZJHOMCY-UHFFFAOYSA-N 422.488 1.094 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1650773271 FBEVFSINODRQED-LJQANCHMSA-N 408.458 1.907 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C 1654717592 FZUGTUCLHVEBEU-ZDUSSCGKSA-N 400.522 1.426 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1659644859 NJYZLCJDYWAXBG-CYBMUJFWSA-N 417.306 1.132 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCCO1 1663479163 XBPDYHHIPUQGSK-FHWLQOOXSA-N 406.504 1.745 30 10 HDEE C#CCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1664329817 DAJVTAMXBKMTEI-VXGBXAGGSA-N 412.430 1.193 30 10 HDEE CN(CC(C)(C)C#N)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1669385498 CEQGLYMDCONRPJ-KRWDZBQOSA-N 409.508 1.835 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CCC(F)(F)F)c2)CC1 1669387646 GDUNMXQPUXODBI-UHFFFAOYSA-N 418.441 1.799 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3cc(Br)ccc3F)C2)c(=O)nc1O 1682985014 BXYYKAKEUCJOSN-UHFFFAOYSA-N 422.214 1.489 30 10 HDEE C#C[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccc(Cl)cc1 1683676529 ORPHDXRCEHPAAH-GOSISDBHSA-N 412.877 1.746 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccnc(-n4cncn4)c3)CC2)cc1 1684523371 SBLCRGCLKXAMLL-UHFFFAOYSA-N 402.462 1.561 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N1CCC2(CC1)CC(=O)C=CO2 1685423468 LSZGQYXRZQIZFH-HZPDHXFCSA-N 409.483 1.668 30 10 HDEE CC1(C#N)CCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1685561920 LVOQNIHKZHMJRP-AWEZNQCLSA-N 405.499 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1689831315 IYOXYJBKCLQKLA-NYUBLWNDSA-N 406.527 1.828 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689940718 BESLKVJYZLVABS-UTKZUKDTSA-N 401.511 1.543 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 1689946894 YPOKYPIUNNJHHD-ZACQAIPSSA-N 424.615 1.714 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@]1(N(C)C)CCSC1 1690099893 PHDRPMWUEOPAHA-HXUWFJFHSA-N 402.568 1.807 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCc2ccccc21 1690099934 QZSADBPKACRYIW-QFIPXVFZSA-N 406.490 1.599 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690508250 DPZWKIWGTBENOI-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1690672521 VEAANUVBJHDZRE-ZWKOTPCHSA-N 418.586 1.716 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690674224 SYWAGZUYGIKSHD-QGZVFWFLSA-N 402.543 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@H](COC)C1 1690678117 LMPRTKPHZTVZOA-LNLFQRSKSA-N 421.542 1.557 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)CC#N 1694607572 IFEMCISGZNLVLT-ZDUSSCGKSA-N 402.503 1.507 30 10 HDEE COCCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1698186463 MHNPWFNTUYPXIH-KRWDZBQOSA-N 421.461 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1705497948 KTMWZZUYFKTJLK-CVTQAYBASA-N 405.462 1.248 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](C2CC2)N(C)C)CC1 1705640773 FWQMCJLJSFPFFS-OAQYLSRUSA-N 422.577 1.973 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1705695828 CPXQHTHJILOFAB-RDBSUJKOSA-N 419.498 1.715 30 10 HDEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705787525 VHJYIJLBFZAIBI-UHFFFAOYSA-N 418.586 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705898920 CAEODCXUCBUXEI-OAHLLOKOSA-N 405.524 1.425 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H](C(F)(F)F)O1 1708199901 FAQCALYYQQHMTL-HONMWMINSA-N 424.383 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC=C 1722277503 IOVAQSVQPJGRJV-LBPRGKRZSA-N 405.300 1.806 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(F)cn2)CC1 1722440265 HLHBIFMASMUWMA-UHFFFAOYSA-N 408.485 1.477 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCSC2)CC1 1722447721 MVRMJEUXLCWVAL-AEFFLSMTSA-N 417.579 1.891 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cncn2)C1 1722725018 KLLRWXLMMNAFES-BBWFWOEESA-N 403.487 1.075 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCCO1 1726673454 YOSPSQSJPAQOQT-PBHICJAKSA-N 423.477 1.420 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)CC1 1728634827 GNNZIMJUUCFOJG-MSOLQXFVSA-N 411.558 1.605 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1730874228 IAPTVANAFCCONA-YJBOKZPZSA-N 401.467 1.271 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCOC1 1740629716 XFJLWYCZHYDYPD-JOCHJYFZSA-N 407.474 1.371 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(OCCOC)CCOCC1 1740639924 YDNYTZSTWFZHRM-GOSISDBHSA-N 402.495 1.067 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(C(=O)NCC)CCC1 1740684951 GOQRMAHGJBKJKD-QGZVFWFLSA-N 403.527 1.565 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CC23CCOCC3)CC1 1740691311 ZBSCVQOECGUMDN-MOPGFXCFSA-N 417.554 1.574 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1CCS(=O)(=O)CC1 1740726393 ZCTFOAXQMHUZTL-OXJNMPFZSA-N 424.567 1.819 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740960898 FMMMBHZAVQZZAK-OAQYLSRUSA-N 415.469 1.306 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC(OCC)C2)C1 1740970361 JVVOFUCOMWLXLL-LSWWBPAMSA-N 407.515 1.128 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CC=CCC1 1740990768 FNBMXRMIPGTASV-CVEARBPZSA-N 407.540 1.623 30 10 HDEE CCn1cnnc1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H](C)C#N 1746365002 FWBFQMIAYSRADK-OAHLLOKOSA-N 404.482 1.772 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1747648253 ASOWANIREHAVBG-JVMRMLDLSA-N 423.477 1.015 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1748730800 UGNKYBSCKWBGAM-QGZVFWFLSA-N 410.526 1.725 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1748739554 CJOBLKHVFAMZAP-OAHLLOKOSA-N 402.476 1.711 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)N(C)C)c1 1748766114 FXLBBJSGZNMJJE-UHFFFAOYSA-N 417.473 1.745 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1COc2ccccc21)[C@H]1CCS(=O)(=O)C1 1748817135 FUZDJMGQIWHCPI-HOTGVXAUSA-N 400.504 1.643 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1nnc2n1CCC2 1748852082 VXXZPMCIMIOSLB-UHFFFAOYSA-N 401.474 1.558 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1748983185 LGIZGRKJFORHOZ-LJQANCHMSA-N 410.522 1.860 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(C)=O)CC1 1749008589 DREIBJALWRTSHB-UHFFFAOYSA-N 423.521 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCn2cc(Cl)cn2)CC1 1749019526 YBCOYLIJUQGMKX-UHFFFAOYSA-N 419.917 1.331 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749229717 ORIZCPWWKOTFLF-SJLPKXTDSA-N 418.542 1.805 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)OC)CC1 1749660036 MOTUSUPEIKVJFW-UHFFFAOYSA-N 414.466 1.144 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](N3CCCCC3)C2)n1Cc1ccc(C#N)o1 1750949989 PKEIXBNLEQXYIL-INIZCTEOSA-N 411.510 1.994 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(C(=O)NCC)CCC2)c1 1760126252 SCPIJQIQJBQDTR-UHFFFAOYSA-N 408.506 1.949 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1760143858 VCKALSLQZGMLNP-WMZOPIPTSA-N 424.567 1.819 30 10 HDEE C#CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1760159907 SHBBKMASZLGNDG-PXNSSMCTSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760186287 LSZOPXOROPDOGJ-VQHPVUNQSA-N 410.515 1.547 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCCS1(=O)=O 1760194176 CRMSZVVGGBFGJJ-IAGOWNOFSA-N 408.524 1.042 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1760232180 VVCZMMLJIUEKMV-UHFFFAOYSA-N 411.491 1.085 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1760249838 ATMQHQBAZNGMCB-HXUWFJFHSA-N 404.898 1.760 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760348954 SMMHSAQJMCLRFV-GOSISDBHSA-N 413.526 1.283 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 1760382327 ODWYKULTBPFAIK-HNNXBMFYSA-N 407.544 1.709 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760448404 BLSFZOQTPXYMPG-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760517237 HINNVSSTQGMUCM-CQSZACIVSA-N 421.523 1.125 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(C)C)CC1 1760526027 APQZGUKBRKFQDF-UHFFFAOYSA-N 414.558 1.220 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1760562705 SSBNOKTZCOVBAP-UHFFFAOYSA-N 403.556 1.950 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760569137 DZSCUHSSLSHASG-IBGZPJMESA-N 422.555 1.548 30 10 HDEE Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1761607289 FGUZFCIFLNDQBC-GXTWGEPZSA-N 408.532 1.149 30 10 HDEE CCc1nnc(N2CCC(N(CC)S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1764821873 GEENNFFGGNKTRI-UHFFFAOYSA-N 406.512 1.604 30 10 HDEE CCO[C@@]1(c2nnc(N(C)CCCC(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1765835483 GGQIBBVMJPVGMI-FQEVSTJZSA-N 416.482 1.406 30 10 HDEE CCOCc1nnc(N2CCS[C@@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766447264 ZZONTVVIDCTOEA-YWMAMYRUSA-N 420.539 1.673 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)c1ccco1 1769977395 HTTNAXPXDGCIJQ-OAHLLOKOSA-N 416.482 1.765 30 10 HDEE CS(=O)(=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1 1770309351 FWVPVQKEKBCFAL-UHFFFAOYSA-N 420.539 1.108 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)OC 1770778654 BHUNVTBTZSMGLI-WMZOPIPTSA-N 401.467 1.615 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771530657 QGQRTFFKFSABLH-SQGPQFPESA-N 419.432 1.978 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 1772788430 STEQMMZBWBNYCQ-INIZCTEOSA-N 400.412 1.594 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1 1848632939 MBQANORGOAGYLQ-AWEZNQCLSA-N 406.446 1.057 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)c1 1848949316 IDRDCDOCQQRTEL-KRWDZBQOSA-N 418.453 1.989 30 10 HDEE C=CCN(C(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)c1ccc(C#N)cn1 1849240335 XFVJGIXEUHQRTQ-HNNXBMFYSA-N 411.487 1.831 30 10 HDEE C#Cc1cccc(NC(=O)[C@@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)c1 1852233187 MHARLUBHEZNYFB-INIZCTEOSA-N 404.488 1.888 30 10 HDEE C=CCN(C(=O)CN1CCCS1(=O)=O)c1nc(-c2ccccc2)ncc1OC 1852489038 PLOZWTBIHOTFGZ-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)CC2=O)CC1 1852497068 LLTWTMYKFKOTDB-IBGZPJMESA-N 418.501 1.824 30 10 HDEE CCOC(=O)N1CCC[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852535252 UPGTWJBZQUZNIJ-KRWDZBQOSA-N 401.467 1.239 30 10 HDEE COc1cccc2c1OC[C@H](C(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)C2 1852591858 HBELWBXLAYUWPP-LJQANCHMSA-N 422.485 1.878 30 10 HDEE N#Cc1cnn(-c2ccc(Cl)cn2)c1NC(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1852773117 SDIJBEVQJMOTEH-GFCCVEGCSA-N 414.853 1.758 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccccc2OC)C1=O 1853682578 MXOJBYNJZJSEFO-SJORKVTESA-N 415.490 1.310 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2cccnn2)CCN1CCOc1ccc(C#N)cc1 1854556631 LUXZLVLDWDXRLA-UHFFFAOYSA-N 409.446 1.255 30 10 HDEE C[C@@H]1CN([C@H](C)CCC#N)c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C1=O 1854894309 IPYIVMBAFURIHC-HZPDHXFCSA-N 418.519 1.730 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4c(OC)cccc43)CCC2=O)CC1=O 1855241039 PPICKNIPQUAWKM-SJORKVTESA-N 411.502 1.857 30 10 HDEE N#Cc1ccc(CN2CCC(=O)N(C(=O)Cn3cnnn3)c3ccccc32)c(F)c1 1855743523 YOMCSZXMFXTPKO-UHFFFAOYSA-N 405.393 1.654 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CN(C(=O)COc3ccccc3F)C2)CCN1CCC#N 1855869840 KLTOVPFLFAIFAT-UHFFFAOYSA-N 416.453 1.026 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc3c(c2)CCCC3)CCN1S(=O)(=O)CC#N 1856092285 KYZFHYRFJZVVGB-UHFFFAOYSA-N 417.531 1.801 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1CC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856467281 LBWAIDUWARFPLW-SFHVURJKSA-N 406.490 1.924 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857077061 ASSUXJFCGGAYRL-CYBMUJFWSA-N 416.434 1.295 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cn(-c4ccncc4)nn3)C1)CC2 1857213721 UGHPVKYEAFBLGO-HOTGVXAUSA-N 405.462 1.277 30 10 HDEE CCC[C@@H](F)C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857397780 PZLGOZPUGKQUJU-SJLPKXTDSA-N 401.486 1.979 30 10 HDEE Cc1ccc([C@H](C#N)NC(=O)[C@@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867601023 JDFYPYHKHWHGNM-KDOFPFPSSA-N 414.487 1.866 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868796029 PWHJLUGZYLWKKH-MSOLQXFVSA-N 417.579 1.694 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CC(C)C 1870580886 OGTLLAUJYOSHIX-UHFFFAOYSA-N 403.523 1.916 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H](O)C1(C)C 1881239223 VDZGASLCMOIJDC-XCLFUZPHSA-N 404.419 1.795 30 10 HDEE C=C(I)CN1CCS(=O)(=O)CCN1C(=O)OC(C)(C)C 1883750853 PQIVEXFFQGQZCD-UHFFFAOYSA-N 416.281 1.818 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)cc1C#N 1891228343 WYPMLRACFDHJOV-UHFFFAOYSA-N 405.437 1.940 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010397634 SQUPOWSJRSQHNU-ZDUSSCGKSA-N 418.303 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCN=c2[nH]ccc(C#N)c2Cl)C1 2162414986 PJGGCDPTHQLGCP-CYBMUJFWSA-N 414.915 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162918921 VEBDCGNKUJJKQX-WHDAMIPWSA-N 414.509 1.594 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC(CCC#N)CC1 2181054798 BCGQIHCJFYHVBN-OAHLLOKOSA-N 401.529 1.857 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2237809104 XNRYJPXCXWKDAT-IIDMSEBBSA-N 401.529 1.728 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2243406391 XVIQVHNDQRGXGV-LBPRGKRZSA-N 408.260 1.860 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243676784 NHFZIBGCZLKVQD-HNNXBMFYSA-N 409.336 1.841 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247816659 FFTMPSCLEVSELH-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247908647 XVYXYVPBZQXTOO-CQSZACIVSA-N 424.303 1.536 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCCNC(=O)OC(C)(C)C)n1 2247914984 UIBKHPMKRVKCAK-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247917951 MRCAMMRZUTVHJQ-UONOGXRCSA-N 420.319 1.598 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCCN1C(=O)OC(C)(C)C 2247934880 GZHJVNJOKBMNDB-UHFFFAOYSA-N 421.307 1.502 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248060241 CSWUQPWMLWYLQF-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE Cn1nc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255658758 IMLQLCSIEHSXRU-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258156918 QKOYFHSUYPSKAQ-CYBMUJFWSA-N 422.381 1.193 30 10 HDEE CC[C@@H](CO)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355468 UBKGWYOPYRNLTF-SNVBAGLBSA-N 409.766 1.998 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)NCCC#CC(C)(C)C)NC(=O)OCc1ccccc1 2270520202 AZMQXIFSHQBHIR-KRWDZBQOSA-N 424.519 1.813 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](OCCO)C3)c2Cl)OC1(C)C 2282058354 SNPUZYSIOICFHI-NSHDSACASA-N 401.721 1.924 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(Cl)CC1(C)C 2282335084 KQAIGZPHCYTDRJ-INIZCTEOSA-N 403.741 1.405 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCC[C@H]2O)OC1(C)C 2282499771 FTCOTFWJECNAHP-DGCLKSJQSA-N 402.347 1.165 30 10 HDEE CC1(C)OC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)O1 2282505771 IWLGRGZEOGFWTA-NSHDSACASA-N 403.331 1.477 30 10 HDEE CC(C)[C@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282512921 WNMHDMHKEDULJC-AWEZNQCLSA-N 403.737 1.934 30 10 HDEE CCCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CNC1 2282829441 DYGKQMXUJFPADM-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836161 GQYGCPQTFIPOHR-LBPRGKRZSA-N 402.391 1.832 30 10 HDEE COCCSCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282845589 VWYDKDQRYGHVCK-UHFFFAOYSA-N 401.359 1.644 30 10 HDEE CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878528 HIIXJIUYRXWLEV-NSHDSACASA-N 402.347 1.239 30 10 HDEE CO[C@@H](C)[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284388804 FYOUQTLFCGKWFD-GZMMTYOYSA-N 403.693 1.919 30 10 HDEE CC(F)(F)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404267 XQCCAWPWSOJZSQ-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@H]2CF)OC1(C)C 2288925551 YUMUVCMKYOTEPR-RYUDHWBXSA-N 404.338 2.000 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)cc1 2330795018 OGFOABHKHWASIW-UHFFFAOYSA-N 405.480 1.850 30 10 HDEE C#CCN(C)C1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338821814 TWNGKPZPRXKYRE-UHFFFAOYSA-N 417.531 1.422 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2363924394 KYOYKFYNQHBJBC-HOCLYGCPSA-N 413.565 1.583 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C12CCC2 2365197296 UWXNZMOMCHSXPO-LIRRHRJNSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365201289 HGRQZLQCCBPKKX-KHYOSLBOSA-N 402.557 1.586 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 2365203785 VFUDIQRWNXWIPH-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1(NC(=O)OC(C)(C)C)CCCC1 2367813332 CLXSNHLXWGLDMW-LSDHHAIUSA-N 400.541 1.353 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367820270 QPNNJUJDLPZJLE-ARFHVFGLSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@H]1CCN1C(=O)OC(C)(C)C 2367825776 RYTNGBCGRPYAGG-RKVPGOIHSA-N 400.541 1.306 30 10 HDEE C=CCC1(N[C@@](C)(CS(=O)(=O)C(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2373184783 WHAAEBYBXVPQEJ-KRWDZBQOSA-N 404.529 1.808 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)[C@@H](CC)NC(=O)OC(C)(C)C 2375229034 SNEMAAQVJWPUMW-LBTNJELSSA-N 402.513 1.255 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2c(I)cnn2C)cc1C#N 2382020467 NVDIWOAFTSDYAO-UHFFFAOYSA-N 403.205 1.401 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(OCC)cc3)C2)c1=O 101764723 KXGSCTDZLZKKBU-MRXNPFEDSA-N 412.446 1.915 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@@H]2ON(CCC(N)=O)[C@@H](c3ccc(C#N)cc3)[C@H]2C1=O 102439382 LTIMDAPSSLFGPI-MSPZUWAUSA-N 418.453 1.837 30 10 HDEE Cc1ccc(O)c[n+]1/C(C(=O)c1ccc(F)c(F)c1)=C(/S)NCC(=O)N(C)C 139909251 ZLWGNGNEJCUJJG-UHFFFAOYSA-O 408.450 1.883 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc21 238931323 VCKDKVWWGYDNSK-GFCCVEGCSA-N 415.431 1.025 30 10 HDEE CCN[C@@H](C#N)Cn1cnc(I)c1I 308514073 DMDHJQXLBCWSTP-LURJTMIESA-N 416.004 1.594 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2ncc(Br)cn2)CC1 432998293 HINGUMWFNBAHAW-DZGCQCFKSA-N 409.332 1.582 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)C1 488831815 WMRYAFMYQINAEP-CYBMUJFWSA-N 411.455 1.120 30 10 HDEE Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(c2cccc(C#N)n2)CC1 508522075 QKCOYOXJVLLMQK-UHFFFAOYSA-N 403.446 1.847 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508921744 MSGQEDJANRWMDI-IRXDYDNUSA-N 407.515 1.263 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 508997347 JQNZJXXSIZUEBA-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE CN(Cc1nc(-c2cccnc2)no1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 511469268 MLPRUYYOIKMKEC-UHFFFAOYSA-N 411.443 1.577 30 10 HDEE C=CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 513575719 ZMSGTTASUCPYMD-HNNXBMFYSA-N 412.533 1.613 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cs1 523181094 WHZGMRJVWQIXPY-OAHLLOKOSA-N 417.556 1.972 30 10 HDEE N#Cc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)cc1 525284202 PFFPXFYOAMUPEO-JHNDHUHGSA-N 408.439 1.783 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cccnn3)CC2)CC1 540549928 SAGKWDVXOBIKTB-KRWDZBQOSA-N 411.535 1.069 30 10 HDEE COCc1ccccc1CS(=O)(=O)Nc1c(C#N)c(CCCNC(C)=O)nn1C 554731830 MSRQYDJSMPPMAY-UHFFFAOYSA-N 419.507 1.449 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 561878352 ZCDDWEPUXVUIRA-UHFFFAOYSA-N 422.397 1.738 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)ccc1C#N 563920039 SWZBFJVYYXFHQA-UHFFFAOYSA-N 421.500 1.486 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cc1 566592373 AXRJEIJSNAOANL-MRXNPFEDSA-N 403.435 1.751 30 10 HDEE CSC[C@](C)(C#N)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 569504249 UKSOCUFMTFVAIL-CJNGLKHVSA-N 400.526 1.454 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)ccc1C#N 576554470 HJTSKILSDSXQHX-UHFFFAOYSA-N 409.489 1.296 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC)CC1 579498671 FWVDEQIXFHULBD-UHFFFAOYSA-N 409.494 1.173 30 10 HDEE N#Cc1cccc(C(=O)NCCNC(=S)N2CCN(Cc3ccccc3)CC2)c1 586415230 XPVUQMUFRLYSDJ-UHFFFAOYSA-N 407.543 1.980 30 10 HDEE Cn1ccnc1C(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 591861553 YTPPBOOOZONRIZ-UHFFFAOYSA-N 405.389 1.917 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccccc2CN2C(=O)CNC2=O)CC1 603828816 YWEULYFWINKCSB-UHFFFAOYSA-N 419.445 1.359 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 610596476 DVLVKPNUZRSYKE-XMSQKQJNSA-N 424.505 1.106 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 610765406 OSEMKDRLHXBOBA-MRXNPFEDSA-N 422.445 1.604 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCC2CS(=O)(=O)C2)cc1 682480659 SKXWPXGVXZPVDF-UHFFFAOYSA-N 401.510 1.049 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 729425386 HLHRDONNACBKIN-IAGOWNOFSA-N 408.545 1.725 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CCN1C1CC1 732706895 TVGUGVPRHWGEMK-SFHVURJKSA-N 419.489 1.419 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Cn2ccccc2=O)cc1 735852645 KJMJFPRGCYMAJG-QURGRASLSA-N 406.442 1.429 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCn2cc(Br)cn2)CCCCC1 760405772 MOJNWZIRGSNDLO-UHFFFAOYSA-N 403.302 1.956 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760405783 MSOJLNWHHJPEHW-UHFFFAOYSA-N 403.460 1.511 30 10 HDEE CC(C)CN(C(=O)CON=Cc1cnn(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 764565675 HTOSIRJBYMYOQA-SFHVURJKSA-N 419.507 1.290 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 771395216 CALUMSNTRZMOLI-REQQQCDJSA-N 404.373 1.103 30 10 HDEE C#CCN(C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 774158314 VYWUVCBAXAHVFU-IBGZPJMESA-N 414.531 1.880 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1)[C@@H]1CCS(=O)(=O)C1 774220229 KIUPBBLNKNYGEK-QZTJIDSGSA-N 407.511 1.935 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 775988348 MZRGKCHWKVMJDU-JUVXEETASA-N 421.523 1.617 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)c1 776837366 PBRIDNJDSIOAAH-UHFFFAOYSA-N 401.463 1.749 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])cc3c2OCCO3)n1 788821327 UUXSPIHFNKZPLA-UHFFFAOYSA-N 400.391 1.485 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2nc3ccc(Br)cc3[nH]2)C1=O 789040288 NCHANOLSJVUIRD-UHFFFAOYSA-N 421.207 1.345 30 10 HDEE COc1nn(C)cc1NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 789042271 AUWNHVIUFCTAGV-RCCKNPSSSA-N 406.468 1.886 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)n1 789115187 QYFLQGXTIWUCMP-LEWJYISDSA-N 417.554 1.442 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 789329407 GGVBWRDTYNWCHY-OAHLLOKOSA-N 405.476 1.761 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(CCc3ccc(F)cc3)c2=O)cn1 790110850 ASEQITPIDRXAAO-UHFFFAOYSA-N 407.474 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)n1 798456592 YXJLBSHDXYRATN-UHFFFAOYSA-N 410.883 1.106 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 802553248 FQIYUHKZHOKKDA-ZDUSSCGKSA-N 405.471 1.423 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 812526726 RFWNOQIWTRQIQC-GOSISDBHSA-N 408.476 1.919 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249294 LBSMAGASVZZACG-UHFFFAOYSA-N 420.485 1.900 30 10 HDEE O=[N+]([O-])c1ccc(NN=C2CCCSC2)c(S(=O)(=O)N2CCOCC2)c1 814696200 ALLSODGCYBAMBO-UHFFFAOYSA-N 400.482 1.911 30 10 HDEE COCc1nc(Cl)cc(NN=C2C(=O)Nc3cc(N4CCOCC4)ccc32)n1 814977500 QMDHHSCCFYVCFA-UHFFFAOYSA-N 402.842 1.881 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C[C@H]1CCCO1 837855415 FRPILIOSCBIOLS-CYBMUJFWSA-N 415.858 1.498 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1127354070 YMRMUILWLKJCNY-UHFFFAOYSA-N 414.487 1.428 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)C1=O 1127691188 MHJTYPGPOHHJAK-KBPBESRZSA-N 408.252 1.542 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@@H]3CCOC3)CC2)cc1 1128942686 PPXGOAFRTIVBPG-QGZVFWFLSA-N 405.520 1.892 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H]([C@H]4CCCO4)C3)CC2)cc1 1133387476 VMRZXKUVJZJKKB-AZUAARDMSA-N 417.531 1.986 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1144589279 KXPZKBBCAPMGGY-RISCZKNCSA-N 424.928 1.044 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)c(C(=O)OC)n2)c1 1146666084 KWIYWPKHHSJTDQ-UHFFFAOYSA-N 423.878 1.916 30 10 HDEE C#CCN1CCCN(C(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1147283135 BCXCVUBSEFGCIH-UHFFFAOYSA-N 405.564 1.817 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)O1 1147330840 VEPUEQXSHNKCSF-BZNIZROVSA-N 422.279 1.546 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC 1151603921 BIYFCMZPWYUHAB-LBPRGKRZSA-N 408.398 1.608 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1154959642 VEIURULOPSRQGM-JKSUJKDBSA-N 401.511 1.962 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)CC1 1176272307 GQSGNEAZUUPTKJ-UHFFFAOYSA-N 410.492 1.971 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1179365904 CGUUNKCLHWLDPQ-ZDUSSCGKSA-N 418.500 1.279 30 10 HDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1180032419 KCGRLCYXKUSQDR-LJQANCHMSA-N 414.483 1.764 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)[C@H]1CCCO1 1189432819 YPNIWZGIXZMZLR-GDBMZVCRSA-N 418.309 1.933 30 10 HDEE CC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1230458249 LQAHZBGWMMTWLV-URLQWDBASA-N 402.476 1.064 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1251792250 NBXBQOYZXMWKSD-MSOLQXFVSA-N 403.479 1.649 30 10 HDEE C#CC[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1280467548 KFXYZWMDXBYMBO-INIZCTEOSA-N 420.531 1.976 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286312493 WEIOBDPIYWNJMA-KRWDZBQOSA-N 403.527 1.994 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286320463 AUKYHFDFEVDQKL-UHFFFAOYSA-N 417.539 1.304 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)C(C)(C)C 1286365802 JRGIZZBODDIVSO-MHZLTWQESA-N 422.576 1.965 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cn2ccsc2n1)[C@H]1CCS(=O)(=O)C1 1286384859 JVWYJCFCMGSAFB-HNNXBMFYSA-N 418.548 1.786 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386467 AEAOYZFJHVOCJF-ZWKOTPCHSA-N 415.563 1.830 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386971 LDJABUCLRNDMSH-NVXWUHKLSA-N 419.551 1.961 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286450613 FENYDJGOUKZVCP-AUUYWEPGSA-N 423.539 1.465 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286567051 UJHKTJBPKPABKT-GGPKGHCWSA-N 403.527 1.553 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1286717624 DIRDPYZWMTUNBY-OAQYLSRUSA-N 417.510 1.660 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286828915 AKXSYBUXEPBEQD-KBPBESRZSA-N 419.511 1.418 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1288529129 FSOPFYVTPGFHHX-MRXNPFEDSA-N 406.494 1.955 30 10 HDEE CCN(C)C(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1295078272 HSCXBBMRAPRIAS-GOSISDBHSA-N 412.494 1.279 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1295808039 AZOUMXNDKIXKPR-AWEZNQCLSA-N 402.538 1.056 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300489378 MZHGVJSONUTGLW-QGZVFWFLSA-N 418.519 1.617 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CCCO2)CC1 1300682327 KIUILOJRHAZEIM-OAQYLSRUSA-N 409.494 1.250 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1300776911 ONRDRFFAOAZCOT-JXFKEZNVSA-N 421.567 1.352 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301197446 TZSGQOWRYMFACR-HZPDHXFCSA-N 421.571 1.657 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CC[C@@](C)(C#N)C2)cc1 1301266477 WUZRQCAYMCDRNW-POAQFYNOSA-N 405.520 1.696 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1303013927 MWJGFNQODNIRMM-INIZCTEOSA-N 408.466 1.458 30 10 HDEE Cc1cc(O)nc(N2CCC(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1303982904 AUNGFPRJPGSAAQ-INIZCTEOSA-N 420.473 1.500 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1305002155 QSSQUZIGZQPDJI-KRWDZBQOSA-N 415.515 1.536 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCC(c3ccc(C#N)cn3)CC2)cc1 1307958733 WIEPGHNZPOVUCG-UHFFFAOYSA-N 412.515 1.853 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([S@](C)(=N)=O)CC2)cc1 1310131057 KQNUBXOXCICKNQ-SANMLTNESA-N 415.541 1.234 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1314641617 DQRXKQDTDAZPMY-GOSISDBHSA-N 423.521 1.491 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1CCN(C(=O)Nc2ccccc2)CC1 1339755953 GTIFEKWKEXBXGZ-VXPUYCOJSA-N 411.462 1.716 30 10 HDEE CCn1ncc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1Br 1356275669 GTSUYQLLYHMLKD-NSHDSACASA-N 404.272 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358871749 JYJBFAVMSKPODT-LSDHHAIUSA-N 405.524 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1358889651 FGLLXUAZIZDJEF-JKSUJKDBSA-N 409.556 1.505 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1358913155 HAWPTXBVCVADPR-KRWDZBQOSA-N 409.556 1.795 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1358927729 IAPRTIHDYGRFGI-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCc2nccn2C1 1358969969 BBLYWUAMTNZOOY-XXBNENTESA-N 422.533 1.851 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2c(CC)nn(C)c2CC)CC1 1359034390 OTJJESZYZIWWSD-UHFFFAOYSA-N 419.537 1.397 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCNS(C)(=O)=O 1359122903 FDRJOFUNPYOQBB-UHFFFAOYSA-N 403.512 1.078 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1359132829 GKWJHNGVAIVBCG-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCCCC2)C1 1359299618 JUTAPWHNBMVCCY-ROUUACIJSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359307048 ZCGMYFJSEYYZFN-DLBZAZTESA-N 418.542 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359328895 QWCJPPJICXOOSI-CYBMUJFWSA-N 407.496 1.114 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc3ccc(OC)cc3[nH]2)c1 1448100894 BWTHOIPMOOHAHL-ZDUSSCGKSA-N 412.471 1.974 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCOCC3)C2)cc1 1449807045 WSSQBLATBJAGCN-GOSISDBHSA-N 405.520 1.701 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@@H]2Oc3c(F)ccc(F)c3O[C@@H]2C1 1451873558 LICWAZWGIXZGOW-MICCJXJASA-N 405.357 1.232 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1456063838 GRMSOFWZRCZTDL-SFHVURJKSA-N 404.511 1.988 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc3c(C(=O)OC)cccc23)CC1 1463599115 SCZVMAKZZCUBDR-UHFFFAOYSA-N 414.483 1.777 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1464924579 LJDSSYJAAXLHDD-JQIJEIRASA-N 423.351 1.560 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N[C@@H]3CCN(O)C3=O)cs2)CC1 1468373564 PPMZVDMJZLYKHE-GFCCVEGCSA-N 410.496 1.978 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)c(=O)nc1O 1469390581 XVJUNNJQZZUFHE-HIFRSBDPSA-N 406.446 1.930 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1 1471451759 YCASQDMZRCLVRW-UHFFFAOYSA-N 418.906 1.627 30 10 HDEE COCc1ccc([C@@H]2COCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o1 1471972995 IVDHWZPQRBWOHU-KRWDZBQOSA-N 419.459 1.176 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]3CCNC(=O)[C@@H]32)CC1 1473745534 SJFXJHNSINTWND-GPMSIDNRSA-N 401.536 1.057 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1475716661 GBMGKOZJUGFKAE-UHFFFAOYSA-N 409.939 1.967 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cncn1 1495774280 LYSZFLHOCZEMRW-INIZCTEOSA-N 406.498 1.677 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1COC 1504998713 KHOSAVUEEAVLGS-APWZRJJASA-N 415.494 1.926 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1COCCO1 1505069024 RYWXDNLVAZZXQZ-KSZLIROESA-N 405.499 1.548 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1507517112 OREKWYCIJHJKPX-KGLIPLIRSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1507537955 JSUULFLHKBNCHV-RHSMWYFYSA-N 415.519 1.645 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507612492 FQSKAUNKRRVCJF-XLIONFOSSA-N 422.533 1.568 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507622131 GCRZBBOKSQRCET-INIZCTEOSA-N 423.583 1.365 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507629747 PEFPELRNJHAYND-IAGOWNOFSA-N 402.520 1.915 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1507642232 HZRPIAIBLUHDLF-AWEZNQCLSA-N 420.564 1.223 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507653488 QUAKWNSJOOZYPX-QZTJIDSGSA-N 401.536 1.433 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(C)CC2)CC1 1507723364 FVZWUDQRYHUCCT-IBGZPJMESA-N 413.570 1.106 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCC=C)CC1 1507738842 FTMPXLBTNUXSNA-LJQANCHMSA-N 415.538 1.731 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507752422 ZUMLTBSQLGABEC-JKSUJKDBSA-N 418.523 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508077629 ZIOTYQKBKIVIMO-FUHWJXTLSA-N 410.522 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1508140227 GYLLSFTWPUEJBP-KURKYZTESA-N 424.567 1.983 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1508153055 GRRHLAFQFULXEI-UHFFFAOYSA-N 412.523 1.779 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1508704071 WNAMPHWKZGXMEA-BRWVUGGUSA-N 407.515 1.324 30 10 HDEE CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1508715439 NPPKNBRGLYKNIO-RYUDHWBXSA-N 421.445 1.497 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCO 1509656523 LLRODUCNGNNTMP-UHFFFAOYSA-N 413.482 1.114 30 10 HDEE CCC(O)(CC)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1513528776 ZRUWYTIIOIHSKD-AWEZNQCLSA-N 412.494 1.868 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1517610638 XKXMTMQARRPSJB-INIZCTEOSA-N 401.446 1.263 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519001004 GIHBZLRWUITGLJ-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1535272913 HQZDZVMKIBRXHA-PMPSAXMXSA-N 410.515 1.716 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)C1=O 1535836309 UVQMQTQKOBVHPA-OAHLLOKOSA-N 419.409 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1539031304 YSHFTDNDTQVXGN-CVEARBPZSA-N 416.551 1.448 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1539149241 RDDVODBJHHVLFR-QWHCGFSZSA-N 422.580 1.587 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCC(=O)NC)[C@H]1CCS(=O)(=O)C1 1539211274 KQTXXDVBRMAOLL-INIZCTEOSA-N 415.519 1.016 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCOCC2)CC1 1539482618 VRLPCMSJOUKGPJ-GOSISDBHSA-N 401.511 1.174 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1539669905 VUIAUZFFGKPLLB-DLUDVSRJSA-N 400.570 1.494 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1540872578 TZOCPQJRNQNWSU-UHFFFAOYSA-N 404.559 1.327 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C2CC2)CC1 1542893168 LMQZXSFNOLRCQR-MRXNPFEDSA-N 406.527 1.058 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC1CCN([C@H]2CCOC2=O)CC1 1546046730 JKDIERNDIXQVKC-KRWDZBQOSA-N 401.463 1.622 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1547631707 CGWCMSMWXDJCNC-HNNXBMFYSA-N 408.466 1.614 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1547918469 FOGPNYSFZZWJSR-GHTZIAJQSA-N 418.542 1.533 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc([Si](C)(C)C)cc1)c1cc[nH]n1 1556595726 LTARAPIXLZXMTJ-UHFFFAOYSA-N 402.527 1.555 30 10 HDEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)N1CCCC1 1557980281 DXZKSXZZLVRDIU-UHFFFAOYSA-N 406.508 1.151 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1 1558263992 UWLIGCMCJNQKJH-CQSZACIVSA-N 403.426 1.355 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCc1cc(C#N)ccc1F)C1CCCC1 1565001537 AGEBYDLJMMJKFZ-KRWDZBQOSA-N 411.503 1.451 30 10 HDEE O=C(CSc1nnnn1CC(F)(F)F)NCCOC(F)(F)C(F)(F)F 1583801545 WJBRVLFJAYDDKK-UHFFFAOYSA-N 403.255 1.615 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1Br 1585139457 XDWVGRMTROXTTE-BONVTDFDSA-N 415.313 1.411 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c1 1587146275 IHNSLGKHJGBFAV-RDTXWAMCSA-N 414.487 1.141 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCC1 1587562000 JSEOYSLKDVOZQP-JKSUJKDBSA-N 411.572 1.943 30 10 HDEE Cn1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c(I)n1 1587956289 NMADDXYKPDFGFG-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588034461 GITCPUNLQQTRKB-ZWKOTPCHSA-N 419.551 1.889 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588413446 XGKVYWUJGRLHHU-INIZCTEOSA-N 402.524 1.005 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCCC)CC1 1588876708 GGILNNNNYRENCZ-IEBWSBKVSA-N 416.570 1.478 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589495554 RZEUUNOAVLOFDF-QUCCMNQESA-N 404.559 1.558 30 10 HDEE C=C(C)Cn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1593677868 PVJDWAHREHFBLA-HXUWFJFHSA-N 407.515 1.190 30 10 HDEE C=CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1594766627 ASAKQLLRQXPPEV-SFHVURJKSA-N 415.494 1.783 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595319157 BNKIFYLGOGGSFO-FZKQIMNGSA-N 409.487 1.311 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1595720730 BBRHRDYGHLIXNQ-CVEARBPZSA-N 410.540 1.531 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1595720733 BBRHRDYGHLIXNQ-JKSUJKDBSA-N 410.540 1.531 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)C1 1595722519 KRFMCVZWLWREHU-GDBMZVCRSA-N 407.496 1.306 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595879059 VLXYGTZTZJLEBW-MRXNPFEDSA-N 418.567 1.597 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1-n1cccn1 1596812841 CCGNSWQZOVNQQL-OAHLLOKOSA-N 402.466 1.903 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1611243769 AYSXBJGVTGINSZ-ZFWWWQNUSA-N 405.455 1.325 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCOCCS(C)(=O)=O)n1 1612183722 CERLQKLTTLSANW-CQSZACIVSA-N 406.512 1.306 30 10 HDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@H](C)CC#N)c1=O 1615732718 SXMVXFMPSUUUJZ-NJAFHUGGSA-N 414.510 1.970 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H]1C 1617370366 VQPVDZBKYJAHCV-OAHLLOKOSA-N 418.523 1.371 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1618434901 CQXCDUYENDJDLC-INIZCTEOSA-N 402.524 1.991 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1618610706 HVIBYEDULMURES-MOPGFXCFSA-N 424.505 1.503 30 10 HDEE CNC(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C#N)C1 1618794881 ZMCBLRSKCGKSSP-LBPRGKRZSA-N 419.283 1.572 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC(F)(F)CO2)CCO1 1620354494 GNNAERZWOZNQJN-STQMWFEESA-N 419.392 1.078 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1623676015 XOQVLNDNMKCUAC-QZTJIDSGSA-N 408.543 1.611 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 1624132612 GQDLYSPKVALZMN-KRWDZBQOSA-N 408.495 1.675 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)C2CCOCC2)c1 1624247654 MREFNOUYNRGKRX-SFHVURJKSA-N 407.488 1.572 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1624827225 RUDYXBXHIKHVCB-QGZVFWFLSA-N 424.457 1.571 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 1625328056 UUNXCJKNVGYSRR-MRXNPFEDSA-N 403.483 1.532 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1627321366 ANIYBFPNCHLRCN-GOSISDBHSA-N 420.535 1.124 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1628631418 VZRVMJRCCNJTPC-WMZOPIPTSA-N 403.523 1.265 30 10 HDEE C[C@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1629083126 WSTGCZKGWKHINK-DENIHFKCSA-N 414.506 1.500 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)ccc1F 1631993138 VKYKJVKELGAMEC-PJGQNWHFSA-N 400.497 1.416 30 10 HDEE N#Cc1ncn(CC(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H](NC(=O)C(F)(F)F)C2)n1 1632334630 RJCILLREGAVTKR-KBPBESRZSA-N 424.358 1.352 30 10 HDEE CN(C)[C@H](CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 1634108975 UAZNWAITTWJTKO-YNEHKIRRSA-N 407.437 1.927 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ncc(-c2ccccc2)[nH]1)c1cc[nH]n1 1634319860 LPWLKLHROFXEMT-UHFFFAOYSA-N 410.434 1.443 30 10 HDEE Cn1nc2c(cc1=O)CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1634728245 AMGXRSNEAQEHEP-INIZCTEOSA-N 403.483 1.642 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](Cc3ccccc3)C2)s1 1635175805 YNSOTMNBRHOEHF-KRWDZBQOSA-N 419.572 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C2(C(=O)N3CCN(C(=O)CC#N)CC3)CC2)CC1 1635737138 GTOWHQNRFGOWPO-UHFFFAOYSA-N 404.511 1.998 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)c2ccc(OC)cc2)cc1 1637628729 WHMLZFOMUJVARB-QGZVFWFLSA-N 404.488 1.665 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)cc1 1638357473 HAESSHDLNZZXPC-XGAFWQRZSA-N 413.499 1.701 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CCC4(CCOCC4)O3)CC2)c1C#N 1638752949 IOMCRZSAIILQOD-OAHLLOKOSA-N 405.524 1.883 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC2(CNC(=O)O2)C1 1639533274 YPOUWRKREGTXJU-MRXNPFEDSA-N 412.446 1.713 30 10 HDEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1639659053 LCWCEQAEDAVDLW-MLGOLLRUSA-N 421.441 1.825 30 10 HDEE COc1cnc([C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nc1O 1640131835 AFXZHIKVCDWPFX-AWEZNQCLSA-N 420.422 1.604 30 10 HDEE CC1CCC(NC(=O)CN2CCN(Cc3cc(O)n4ncc(C#N)c4n3)CC2)CC1 1642180004 HFBATNJUAYSFSZ-UHFFFAOYSA-N 411.510 1.119 30 10 HDEE COc1cc(C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)ccc1C#N 1643512443 DDDIQJSXGPAGIY-UHFFFAOYSA-N 412.450 1.880 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2ccccc2)CC1 1643806896 GRWUKFMSYGNYEP-UHFFFAOYSA-N 402.451 1.324 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCn2ncc(I)c2C1 1644632697 CUJGXMFAJHFOGZ-ABAIWWIYSA-N 415.279 1.746 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)nnc1-c1ccco1 1644702625 KNFJXXGPYLLFCQ-JKSUJKDBSA-N 417.535 1.874 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1648164141 YXFGEPYLQWCNLE-LAUBAEHRSA-N 403.479 1.068 30 10 HDEE Cc1cc([C@@H]2CCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 1652780110 DHVRSNKWSMZRMG-INIZCTEOSA-N 401.492 1.901 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC 1659644885 OSMQKBSJQKKWCY-NSHDSACASA-N 407.897 1.168 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1670709392 HGYBRLIDPKLJTO-QYZOEREBSA-N 424.519 1.370 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc([C@H]3C[C@H]4CC[C@H]3C4)cs2)CC1 1670723373 QBGJAFIUHINWNR-KKUMJFAQSA-N 423.564 1.664 30 10 HDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1670762282 DMCVLPXRDOZTKD-RISCZKNCSA-N 423.413 1.776 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1681302093 VNEJUEJKMBKPAQ-LJQANCHMSA-N 420.473 1.758 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1690080399 RYPUREBSOJQSND-UHFFFAOYSA-N 407.478 1.490 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)no1 1690094184 VHXKFJCAZIDWJC-HXUWFJFHSA-N 403.483 1.749 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1690428217 IXUQBGLFYNBTNL-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CCSC 1690670790 IWUHSYGWJBOCCM-KBPBESRZSA-N 415.585 1.060 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690674968 LVDIGXLYOYAZBP-QGZVFWFLSA-N 424.505 1.013 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NC2CCCCC2)C1 1690697346 SVNAUNRZXSOABO-QGZVFWFLSA-N 411.510 1.965 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccnc1N1CCOCC1 1705489157 KICPTJAVAACNPQ-MRXNPFEDSA-N 404.478 1.473 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)NCC)CC1 1705528642 NIJXOQGEQJZNDS-UHFFFAOYSA-N 424.505 1.345 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1705569580 IHPZDJMMARITLZ-OAHLLOKOSA-N 418.523 1.045 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCn1cc([C@H]2CCOC2)cn1 1705582338 ZCNJCYSBAOAWAC-AZUAARDMSA-N 408.506 1.993 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1705627632 MIHOEZSDBBLNMS-JKSUJKDBSA-N 411.462 1.155 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(OC)CCOC2)CC1 1705640792 GPPNSHGQPCNJOD-QFIPXVFZSA-N 413.497 1.569 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705704278 RVGULOAZJKJJAL-WJPUGNRLSA-N 413.526 1.622 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1705717911 VFFXLAQRRBDNNN-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](COC)C1 1705733144 JSXUPSHFVMDFDS-QGZVFWFLSA-N 424.509 1.986 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705753869 KQPLBDHEHXZMGO-KBPBESRZSA-N 408.890 1.397 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1705764452 YXTIJJKMEQDXAB-FQEVSTJZSA-N 424.567 1.911 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705819881 WJVDNPDTGLLUEM-LSDHHAIUSA-N 422.511 1.416 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1705830240 LMTDCVZXGJPYIZ-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705902500 GCLJUTUKBTVISA-QGZVFWFLSA-N 416.570 1.927 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1710450802 UACYWKPOVXSXOA-LEWJYISDSA-N 419.526 1.866 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCOC1 1711026075 DIOAQLUKHFZCEG-KRWDZBQOSA-N 403.446 1.584 30 10 HDEE COC[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)OC 1712147641 FPUBTUATQDEJER-JKSUJKDBSA-N 414.514 1.440 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)C1 1712877656 RERVGQCVQFYXFO-OXJNMPFZSA-N 420.489 1.428 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N(C)C)CCSC1 1722386902 ANEFBPWFAQWAFM-FQEVSTJZSA-N 402.568 1.317 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722439376 ZTENREFBIZBLQC-VQTJNVASSA-N 413.497 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nccnc2C)CC1 1722450353 FPVQPCFUKSLWLS-UHFFFAOYSA-N 411.510 1.122 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722462761 OWSOEXHKHXVCPV-HNNXBMFYSA-N 405.549 1.248 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722495323 RFFFOHUQNJGERM-TZIWHRDSSA-N 418.586 1.948 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(S(C)(=O)=O)CC1 1722501868 QSDSJQOLQKTYPV-MAUKXSAKSA-N 412.556 1.809 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1722523099 AFEAEPRZIGSTLC-MRXNPFEDSA-N 421.567 1.738 30 10 HDEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1722536142 RYHWASLNIGEQEZ-UHFFFAOYSA-N 413.522 1.991 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1722564712 DIIFKGCXQCJMKW-HOTGVXAUSA-N 424.496 1.742 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CC1 1722565430 QZOASRXYGVGXKF-QGZVFWFLSA-N 415.519 1.860 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC)CC1 1722566745 YEMOWAPXEJTWDK-INIZCTEOSA-N 413.544 1.194 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(C)(=O)=O 1722663584 BPUIBCADZKJLLZ-AWEZNQCLSA-N 424.552 1.033 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1722681772 SCHRZNVGCMGLBR-MRXNPFEDSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1722692817 XUKYATBPYOKULX-HUUCEWRRSA-N 408.572 1.829 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N(C)C 1728903067 ADFMEUUPVYEYCJ-IAGOWNOFSA-N 414.510 1.935 30 10 HDEE CNC(=O)CCn1c(C2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1729722721 HHGZFLKYKWNRCL-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1730458836 FUSSKCXVVREFMW-CVEARBPZSA-N 412.494 1.678 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1C[C@H]1C1CC1 1736555650 ILJXWTAYPDGTNI-RZFLPCETSA-N 402.539 1.935 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1740623518 VVPJUPVRAZGYNM-QGZVFWFLSA-N 417.539 1.244 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1740766851 MRRGMCJYDPEHNW-PBHICJAKSA-N 401.533 1.096 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1740799392 KQJOWOHBAXGIDM-FQEVSTJZSA-N 423.514 1.411 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1740887488 IRXYPQYEHVQPDB-APWZRJJASA-N 407.540 1.903 30 10 HDEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1740903792 LOAVXTASSXVSRC-UHFFFAOYSA-N 412.538 1.952 30 10 HDEE C=CCn1c(N2CCN([C@@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949586 LUPABXGZQKMYDE-MGPUTAFESA-N 417.514 1.691 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740962482 FJCIJONKGSQXGW-FQEVSTJZSA-N 424.549 1.718 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1741127503 CXJLSNFWPXJFHX-ZDUSSCGKSA-N 417.491 1.847 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCCCCO)CC2)c1C#N 1742668883 GOTNISIVRLCOFX-UHFFFAOYSA-N 423.525 1.676 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@@H]2CCCO2)cn1 1748009464 ILUMPOBUKPTTQE-QFBILLFUSA-N 403.462 1.706 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1748639599 JZJMCWXZXPNXSI-JKSUJKDBSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)NCC)c1)[C@@H]1CCS(=O)(=O)C1 1748804573 IVFVUCDSJAYIFD-GOSISDBHSA-N 415.519 1.011 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOC[C@H]1C 1748835478 DXEUBSFJGOYKTG-GOSISDBHSA-N 423.517 1.756 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@](C)=O)CCC1 1748874716 CXPGFHWTRYABHU-VUFWKLLHSA-N 404.536 1.376 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748926569 FTRSWCXJQYHSML-WOJBJXKFSA-N 422.533 1.304 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749126303 AQBWVVYKKRWIPE-BUIAKZPTSA-N 415.494 1.615 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCCOC)CC1 1749342358 FFJWORSXGWDPAP-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749425230 ZAKWCOXYNFLNLM-AWEZNQCLSA-N 408.470 1.233 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749426454 CALRIKQCGJZZKO-MSOLQXFVSA-N 402.543 1.491 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750208681 HJMANMGRNMXOSV-IRXDYDNUSA-N 422.555 1.021 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760192154 FRALLBBKDALOQA-RCCFBDPRSA-N 423.583 1.487 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)OCC)CC1 1760257092 OHKOZQZHNFJYED-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2nnc(C)s2)CC1 1760271966 TUSRMAKWTHTYKJ-UHFFFAOYSA-N 413.551 1.599 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1760281528 NZEQZISGADJAMI-QGZVFWFLSA-N 405.568 1.891 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760335143 LRDJQXAOZPXKJC-JLOCXQCDSA-N 405.499 1.060 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C1 1760534695 DWJHYMMOCVNIDH-UONOGXRCSA-N 410.500 1.014 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1760540646 MPHLTUDVQXTJLE-VGSWGCGISA-N 413.522 1.802 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760936545 ZIILTMHTDMGWBD-HUUCEWRRSA-N 416.448 1.783 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)CCOC1 1761291906 QDRZCWRBLHWBHN-KBXCAEBGSA-N 415.441 1.329 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1761357359 ZJECCCJGVTXZBL-KRWDZBQOSA-N 403.531 1.365 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NCc2ccccc2)cn1 1767455081 ACOWVPPRTRHBIZ-NRFANRHFSA-N 422.468 1.827 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCc2ccncc2)cc1 1770739816 AZHXNBCOOAISLC-UHFFFAOYSA-N 408.487 1.689 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CCO1 1770746540 BCPZDZGNPDQWEV-WBMJQRKESA-N 402.405 1.479 30 10 HDEE COCCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1771254116 GCBWYOUXTKBBFG-DOTOQJQBSA-N 401.467 1.927 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(F)F)C1 1771368157 FPVMTAUJPSZMHU-OAHLLOKOSA-N 424.477 1.847 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CCC(=O)N3Cc3ccco3)CC2)CC1 1852035786 VPSXNXQYQYVQHO-LJQANCHMSA-N 412.490 1.771 30 10 HDEE CC(C)S(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1 1852142800 NXINTTMESLRVPL-UHFFFAOYSA-N 404.536 1.657 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N=c1ccnc(N2CCN(C)CC2)[nH]1)c1ccccc1 1852454611 CAEDAQLXNDUQDJ-GOSISDBHSA-N 409.490 1.492 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854449641 NWMIILSMOWXQQP-HZPDHXFCSA-N 410.540 1.086 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854683023 PFFIAJJXVAPXBI-INIZCTEOSA-N 419.503 1.247 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3c4ccccc4nn3C)C(=O)C2)C1 1854957094 WCRWTZKVRBVMNB-IRXDYDNUSA-N 408.506 1.624 30 10 HDEE C=CCN1CCN(C(=O)c2csc(C3CN(C(=O)OC(C)(C)C)C3)n2)C(=O)C1 1855295814 ISTNFZQWLVQWOQ-UHFFFAOYSA-N 406.508 1.948 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCN(S(=O)(=O)C(C)C)CC2)CCC1=O 1855570957 PSLBNMJQNACTQY-MSOLQXFVSA-N 413.584 1.710 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1855607571 OVVDHTQOQNGWBD-RBUKOAKNSA-N 417.531 1.517 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](C)C2=O)CC1=O 1855639603 BAHFFZDSYJEMTH-DOTOQJQBSA-N 415.490 1.298 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nc4c(s3)CCC4)[C@@H](C)C2=O)CC1=O 1856560416 ULWFNUASPUDFLS-UONOGXRCSA-N 402.520 1.226 30 10 HDEE COc1ccc(-c2cccc(S(=O)(=O)N3CCN(C(=O)CC#N)C(=O)C3)c2)cc1 1856629312 LRCGTIKZUAVCBK-UHFFFAOYSA-N 413.455 1.635 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C(=O)C2)C1 1856857878 NPPAJYUHCHUJBX-MOPGFXCFSA-N 414.506 1.184 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1=O 1856987395 DQQGHGBHLDNXOJ-ZDUSSCGKSA-N 411.430 1.654 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857241864 UMUHDRWLKFEAFO-QZTJIDSGSA-N 404.511 1.998 30 10 HDEE C#CCCC(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2[C@@H]1c1ccccc1 1857516458 GLMPVZMWTLUBRJ-NRFANRHFSA-N 416.485 1.892 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664884 XSTRVVDCELCFOY-UHFFFAOYSA-N 413.482 1.344 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1=O 1872918112 SRVPCJHDWKVCIE-HNNXBMFYSA-N 400.435 1.806 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1889659855 YUGNSBLYJOGSQR-JKSUJKDBSA-N 404.492 1.137 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2012957593 BAKWGLSEEGFQBI-JTQLQIEISA-N 402.293 1.706 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)[C@H](C#N)C1 2106307510 NGWNJDFUVCMBIR-SNVBAGLBSA-N 401.466 1.580 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2124703546 KXAIJDCZAARURW-GFCCVEGCSA-N 403.526 1.524 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@H]1CCNC(=O)OC(C)(C)C 2174782068 MGBJQOWISNHBPZ-BZUAXINKSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@@](=O)(=NS(=O)(=O)N1CC(C#N)C1)C2 2174788012 ZWPIJTYTNBYVST-DXPJPUQTSA-N 418.541 1.328 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174788597 HAPGKNCHUJHFKS-AOTXYTFASA-N 420.557 1.479 30 10 HDEE C#CCOCCOCCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2193886628 HAUNNLCERFGVJF-OAHLLOKOSA-N 400.541 1.900 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COCC(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195308379 YZAFMFHMZLXEMO-AWEZNQCLSA-N 404.529 1.928 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247822391 DPNLEYGVWOJQAW-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247826583 WOYPHJFHIQHMLB-LBPRGKRZSA-N 420.319 1.694 30 10 HDEE C[C@@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247856464 KIDJOWYTQDVGRE-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247930416 SBRSOBHSSWBNSQ-KGLIPLIRSA-N 418.303 1.561 30 10 HDEE C[C@H]1OC2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CC1(NC(=O)OC(C)(C)C)C2 2248442310 RDSLWWIALBHIAQ-OZJRSANCSA-N 420.315 1.952 30 10 HDEE Cn1cc(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2255666798 ZGLUXEFBDQGDMW-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE C[C@@H](O)C1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267355935 IWJKKAQTVBVTTL-SECBINFHSA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(CCO)C3)cc2Cl)OC1(C)C 2267361100 ZURZRTCOGLELEQ-UHFFFAOYSA-N 407.750 1.704 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372014 IKCZNPJSUQAFMT-BUBHHJDNSA-N 407.388 1.435 30 10 HDEE CC1(CCNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)OCCO1 2267467013 KJLYNGWSOIACRA-UHFFFAOYSA-N 415.292 1.556 30 10 HDEE C#CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC(C)(C)C1 2272597063 UYYOUHGSKBWVTQ-INIZCTEOSA-N 422.503 1.566 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCCSC2)n1 2282410984 ZMNQIQAIPKOTLZ-GFCCVEGCSA-N 401.363 1.141 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(CCCO)C2)OC1(C)C 2282418723 KLFACKBSIXQYAH-UHFFFAOYSA-N 401.359 1.581 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282499983 HBQPQEDWQNTVQP-ZJWNCGCPSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](CO)C2CCC2)OC1(C)C 2282500256 WPZWNJMYZMQRLK-ZDUSSCGKSA-N 401.359 1.734 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@H]2CCCN2)OC1(C)C 2282506431 SBMFKFLFTZRNHE-LBPRGKRZSA-N 401.363 1.004 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@H]2CS(C)(=O)=O)OC1(C)C 2282517752 CELHLCWDZTYORC-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H](O)C(F)(F)F)OC1(C)C 2282853733 ICQAWCJCPHVZMJ-SNVBAGLBSA-N 415.264 1.639 30 10 HDEE CN1CCC[C@@]1(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282853977 LSMXJVXNSVWQJK-KRWDZBQOSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](C4OCCO4)C3)cc2)OC1(C)C 2282864036 YKQQEHVPMWOHMO-HNNXBMFYSA-N 423.340 1.759 30 10 HDEE CC(C)(C)OC(=O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284393883 QRZRKERLUZUVHE-UHFFFAOYSA-N 403.331 1.667 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284396512 VXJNDABWHXICIE-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286907224 HMAJNWXBRBREAE-TZMCWYRMSA-N 400.375 1.607 30 10 HDEE C=CCC(CC=C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2313544650 KYRWEIQXAJVSLB-KRWDZBQOSA-N 410.492 1.895 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CN(C(=O)OCc2ccccc2)C1 2321852215 ZOXPBZOGHRDIKX-MRXNPFEDSA-N 408.476 1.137 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)c1cc(I)nn1C 2365196757 PUGZKFVCESQQNS-SNVBAGLBSA-N 409.293 1.502 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)OCC12CC2 2365205124 RYPGCYHOBJTLNB-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE CN(CC[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O)C(=O)OC(C)(C)C 2367791870 YVIAQLNNTLRPHT-KRWDZBQOSA-N 403.497 1.684 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)CCOC1 2367792752 RMTAVFSNGHEBGX-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367798588 RUICQNKEUPZTHP-INIZCTEOSA-N 400.541 1.558 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 2367799742 CVBFZZGPMGTNAA-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2367808804 HBSNALITBBTWEN-IIDMSEBBSA-N 400.541 1.306 30 10 HDEE C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 35211640 GEUQCOIHFQBKFH-XNTDXEJSSA-N 416.528 1.789 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(OCc4ccccc4)cc3)n2C)n(C)c1=O 254352417 VRBSZZUPQMKVNN-UHFFFAOYSA-N 418.457 1.996 30 10 HDEE N#Cc1c(CCCNc2ccnc(N3CCOCC3)n2)nn(-c2ccccc2)c1N 428088625 DJIHYIZESBGZFK-UHFFFAOYSA-N 404.478 1.997 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 443552961 OLOKEBUFKQRIDU-UHFFFAOYSA-N 419.957 1.328 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 483502518 LTNDDZSVUQEMFU-GOEBONIOSA-N 416.507 1.896 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2=Cc3cc(Br)ccc3OC2)CC1 492304791 LAJRSBICUDPRAX-UHFFFAOYSA-N 420.307 1.671 30 10 HDEE C[C@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[S@@](C)=O 493926133 APXDYRWRGJCNIP-IYJVBRSBSA-N 411.549 1.232 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 511105763 FYWAYMVBUFJFTL-LJQANCHMSA-N 406.552 1.906 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ncccc2C(N)=O)CC1 532669094 BZYPOESOUSPTAX-ZDUSSCGKSA-N 424.530 1.752 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c1C#N 534795169 CIFWWNFLYJMXNS-AWEZNQCLSA-N 422.536 1.287 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)C3CCOCC3)cc2C1=O 536240289 RRSYWYWSDLVRMI-QGZVFWFLSA-N 400.431 1.557 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Cc4cccc(C#N)c4)CC3)C2=O)n(C)n1 541878972 YARMCGVGIURQFU-HXUWFJFHSA-N 420.517 1.483 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 542829779 FCWPIRKCZCCBTL-GFCCVEGCSA-N 403.437 1.995 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCCC1 545386985 VAHIFAWJESMCOF-UHFFFAOYSA-N 405.929 1.622 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)n1 546211287 AXNWDIWZGNYSME-UHFFFAOYSA-N 401.474 1.577 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 549522543 UFVALKQWIKIFFR-QUCCMNQESA-N 420.579 1.984 30 10 HDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)ccc1C#N 574805151 UMYBAPMMEVEYJI-KRWDZBQOSA-N 413.522 1.795 30 10 HDEE C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO 575399424 PBAAQXNOWLADMT-QODHSQIYSA-N 424.921 1.136 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cscc3C#N)CC2)c1 578660894 ZYFWBGWUSMPTRA-UHFFFAOYSA-N 403.485 1.621 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)/C=C/c1ccco1)N1C(=O)c2ccccc2C1=O 585830920 JJOSQJHQDCQUEB-SAJWBXQQSA-N 421.453 1.641 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(F)c1 612802578 SYVPFMKADFNAFA-UHFFFAOYSA-N 403.439 1.562 30 10 HDEE Cc1cc(C#CCO)cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703981500 CUUIETDMOXWEFA-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 707630608 FRMADTQNJOXKTH-OAHLLOKOSA-N 403.298 1.544 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730139937 DBGGHEQSVXSNSP-INIZCTEOSA-N 419.551 1.049 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1 731861518 DUGUHFNYECOBBJ-WXVFVKJXSA-N 410.474 1.110 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC(Oc3ccc(F)cc3)CC2)c1=O 734477262 WTMLMZADPYVPJT-UHFFFAOYSA-N 416.453 1.184 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(/C=C/C(=O)OCC)cc2)CC1 735861792 SBGJAELMKHNJRA-JXMROGBWSA-N 400.479 1.715 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N(CCC#N)CCN2CCOCC2)cc1 749370197 GPDPUUAVYKYABC-YVMONPNESA-N 406.508 1.146 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OC2CCN(c3ccncn3)CC2)cc1 752576052 SUJBXKOUNDGPRZ-UHFFFAOYSA-N 402.476 1.767 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 754352728 XTVIIMVZIDOQEA-QAPCUYQASA-N 423.535 1.946 30 10 HDEE COc1cc(CN2CC[C@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc(OC)c1 756093271 DUSUAOYNSVEGFJ-HKUYNNGSSA-N 413.522 1.660 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760774888 GCTSQAYPJGDYEU-MRXNPFEDSA-N 401.467 1.238 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cncc3ccccc23)c1=O 772896199 CBCQQWQFMRKAQR-UHFFFAOYSA-N 404.495 1.673 30 10 HDEE C#CCN(C(=O)NCCCN(CC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774167691 JMHVUXSZNTUMQE-HNNXBMFYSA-N 401.529 1.465 30 10 HDEE C#CCN(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774169470 BQCHOERWWBOOJG-MSOLQXFVSA-N 403.504 1.182 30 10 HDEE C=CCCC[C@@H](C)NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 776043059 WNBLXPSNRMINSK-LLVKDONJSA-N 410.320 1.955 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cc1 777345010 PACJJBGIWHNXPG-SFHVURJKSA-N 415.471 1.826 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 780208937 GBEGIXPYADHPEL-HXUWFJFHSA-N 415.490 1.286 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 782596414 KFIODZYIBWBHNH-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE N#C[C@H](C(=O)CCn1cc(Br)cn1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787054522 VVZTVYHNUCJQDK-CQSZACIVSA-N 420.223 1.969 30 10 HDEE N#C[C@H](C(=O)Cn1cc(Br)cn1)C(=O)NCc1ccc([N+](=O)[O-])cc1 787062347 SPHSDKXLKHGVIT-CYBMUJFWSA-N 406.196 1.579 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)n1 788696632 WMYNQFATBBVKFH-UHFFFAOYSA-N 406.420 1.422 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 790845544 YXAVUZBNPBHRNK-ROUUACIJSA-N 406.479 1.758 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(N)cc(F)cc3Cl)CC2)o1 795707678 RAKMEJOZRRTXQU-UHFFFAOYSA-N 421.816 1.735 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCS(=O)(=O)Cc2ccccc2)c(F)c1 803138203 CIWJGBZLWOHNHX-UHFFFAOYSA-N 403.435 1.045 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C 805146493 ISDBIHUTHRCJTK-MRXNPFEDSA-N 400.522 1.034 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2c(N(C)C)cccc12 810041856 DYPHDQAQGWEFAU-HNNXBMFYSA-N 406.529 1.717 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)C(F)(F)F 810517846 MZFANYGJQJIGKH-LBPRGKRZSA-N 421.397 1.960 30 10 HDEE Cc1c(NC(=O)Cc2noc(-c3cc(C#N)ccn3)n2)c(=O)n(-c2ccccc2)n1C 904259330 GFZQNQWTPRKACJ-UHFFFAOYSA-N 415.413 1.982 30 10 HDEE Cc1cc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1C 919590667 TYCVMHBJEMKQQH-UHFFFAOYSA-N 424.417 1.354 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)OCC[C@H]4C3)CC2=O)cc1Cl 1127265925 RAMMDDRNZMTUJK-HIFRSBDPSA-N 402.838 1.618 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)[C@@H](C#N)C1 1137215123 NCICXMUXEDHIAI-QJPTWQEYSA-N 404.389 1.415 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(F)ccnc3Cl)CC2)cc1 1141413866 LLJWLIZZZMZHAJ-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE Cn1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc2cc(Br)cnc21 1144429020 KCTNGUAJUGSPEI-VKAVYKQESA-N 418.251 1.592 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccccc2)s1 1158094436 GFZKZTVBOMKTLH-QGZVFWFLSA-N 408.501 1.785 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)cc1 1158229641 DLNIMEGVBRNUCQ-YJBOKZPZSA-N 404.492 1.535 30 10 HDEE Cn1nccc1CN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1176959944 QPJGTWJOVNISGA-UHFFFAOYSA-N 419.451 1.724 30 10 HDEE COc1cc([C@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1S(C)(=O)=O 1181315352 SNFJUTPCVRJTTK-RUWSDDDDSA-N 421.475 1.192 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)cc1 1190446528 NFZOOQWKYJFOIU-UHFFFAOYSA-N 414.483 1.835 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1212123418 LUCSBRXLNJLIOG-SJORKVTESA-N 408.476 1.129 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCCO)CC1)c1ccc(Br)cc1 1230499575 ZDUUYCRSVHTSEI-MRXNPFEDSA-N 408.296 1.654 30 10 HDEE Cc1c(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cnn1CCC#N 1264708508 RWVWBQGDPNBPLO-UHFFFAOYSA-N 424.505 1.696 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286282847 SMZZOKSDKSOORX-MAUKXSAKSA-N 412.519 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CC=CCC1 1286370892 VJNOUFQTFIQZPI-UHFFFAOYSA-N 413.551 1.570 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1286400169 YEURHTYWAXTCIS-IRXDYDNUSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1286415668 IYBOMONOERHYHU-FPOVZHCZSA-N 419.485 1.853 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)CC1 1286481984 ZCFCSQOPCFVFNP-DLBZAZTESA-N 423.608 1.079 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1286607356 GFLPIWRTDQRWSQ-INIZCTEOSA-N 401.515 1.831 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286777219 LKHDJIOOOBMADM-UHFFFAOYSA-N 411.441 1.769 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1286810142 NVQPOWPAHMCBOB-BRWVUGGUSA-N 403.527 1.868 30 10 HDEE C#CC[C@]1(C(=O)NC[C@H](C)N2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C 1292986397 KVHFGEJISOPDNZ-PGRDOPGGSA-N 406.571 1.922 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1300505698 GCPMNWJSECHUQO-BZSNNMDCSA-N 422.551 1.429 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1300602207 ANQXYSITGLBTND-NRFANRHFSA-N 415.494 1.801 30 10 HDEE COC[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1300967317 CZBVFLKPIOAPAE-CABCVRRESA-N 423.477 1.203 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301195036 UFNBHIKDMXBPGT-SJORKVTESA-N 400.527 1.719 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301478678 NZYSSSNSWAAZTI-CQSZACIVSA-N 403.487 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1301496741 GGZWZLOBSFJDKW-UHFFFAOYSA-N 408.422 1.582 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@]1(OCC)CCOC1 1301596650 VAXRMMOUKWIOOA-YRNRMSPPSA-N 424.567 1.623 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2cn(C)c(=O)nc2O)s1 1302805733 KTRUHOGNGYGFOM-UHFFFAOYSA-N 400.913 1.954 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CC[C@@H]2COCCO2)cc1 1302994461 MLTXHXDLRGCEOL-LJQANCHMSA-N 413.478 1.761 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)C(C)(C)C)s1 1304075698 UTXUDCNUFRHYRM-ZDUSSCGKSA-N 402.538 1.849 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@H](O)COc2ccccc2C#N)C1 1307445387 FXLLBKZYXNUMLV-MSOLQXFVSA-N 403.479 1.031 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312730444 IZUIYCWWQIMQSH-OAGGEKHMSA-N 423.510 1.772 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1314638341 BAEUFWDDZZFQPF-UHFFFAOYSA-N 407.478 1.011 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc(-c2cccnc2)nc1O)[C@H]1CCS(=O)(=O)C1 1321575546 FVGZWQIAILXMJK-INIZCTEOSA-N 414.487 1.134 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)n1 1322285593 DDYTZJJSJGSLKW-NRFANRHFSA-N 408.462 1.303 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cn2ccc(C)cc2n1 1358968443 LXFBFICXGVUATE-UHFFFAOYSA-N 401.474 1.591 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCn2cccn2)CC1 1359044378 DOAMYUVJNFGTSN-SFHVURJKSA-N 411.510 1.035 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCCCC2)CC1 1359045041 VDMPZVMSFSHGPC-GOSISDBHSA-N 415.538 1.443 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359057418 YZFGWGBIRYHTQS-OAHLLOKOSA-N 417.514 1.404 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1359113449 JEHAHVCBSGQDMN-INIZCTEOSA-N 412.556 1.514 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359221213 USOFQNYUDJNYNN-UZLBHIALSA-N 404.515 1.452 30 10 HDEE C=CCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1359290137 KBOCNEVEJSCDFW-NRFANRHFSA-N 418.542 1.843 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OCC)cc1 1359298702 JAUCLQZXAJROIP-KRWDZBQOSA-N 412.494 1.567 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(OCC)cc2C1 1359299638 KJGMGSPQRVPHOD-GOSISDBHSA-N 424.505 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1359331343 WCZQOASINCIDRU-UHFFFAOYSA-N 408.446 1.650 30 10 HDEE Cc1oc(C#N)cc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1439190778 NYPPUEJMPFOZBV-AWEZNQCLSA-N 411.480 1.614 30 10 HDEE O=C(Cn1cnc([N+](=O)[O-])n1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1439786807 GHSZXQAFOTZESB-OLQVQODUSA-N 423.220 1.816 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1)C(=O)OC 1448492670 GERWESXMROANQH-GDBMZVCRSA-N 421.519 1.659 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(O)cc(O)n2)C1 1454187921 BNDCPLBTDKOATE-UHFFFAOYSA-N 404.224 1.275 30 10 HDEE Cn1cc(C2C[C@@H]3CC[C@H](C2)N3C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1455169652 WYODEFQNQXEALU-ZNXRZULTSA-N 413.503 1.507 30 10 HDEE C[C@@H](CC(=O)NCc1cnn2c1CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1456261749 JQFWFSBZHDTXLL-ZDUSSCGKSA-N 401.492 1.353 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3nc(-c4ccncc4)n[nH]3)C2=O)cc1 1469762221 FTSPHIQSCYKYQN-KRWDZBQOSA-N 416.445 1.733 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1470354842 ZQOLMCNOCIXYKI-AWEZNQCLSA-N 414.319 1.994 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H](CN2CCOCC2)C1 1470684797 DQGOSCUCSHMFSD-LJQANCHMSA-N 412.490 1.610 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2cc(C#N)c(Br)cn2)C1 1472773921 OGOPNEXDXNGLEP-ZDUSSCGKSA-N 417.329 1.593 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OC 1475687069 BPMNOEMPVPJFOC-IBGZPJMESA-N 408.520 1.810 30 10 HDEE CC1(C#N)CN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1 1476419721 DZGPGPZOGMZCPO-UHFFFAOYSA-N 401.471 1.911 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCCCC1 1499008502 PMWXTUANCDYKMZ-UHFFFAOYSA-N 409.494 1.778 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCC[C@H]2C)CCO1 1503770718 FHAXDIAIGSZDNI-FXCLAUTBSA-N 424.505 1.319 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1504612547 YQTXBDXVMBMTHQ-DLBZAZTESA-N 415.473 1.707 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1504853741 HXZBZIGCOHUJLW-UHFFFAOYSA-N 408.510 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1507671146 DFJZAVFCEWETEB-QHCPKHFHSA-N 415.501 1.458 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(F)c1 1507712673 LVHDOFRYYQYGMM-INIZCTEOSA-N 401.442 1.511 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1507751116 JWEYXDPLZZQONP-KRWDZBQOSA-N 416.551 1.767 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1507930163 ZUPDSNRYMQPUHC-QFBILLFUSA-N 412.556 1.514 30 10 HDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507960255 QYDWEJQODRICQI-HNNXBMFYSA-N 417.901 1.800 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCCOC1 1508084039 FVZGNXWMRPSISY-QGZVFWFLSA-N 423.521 1.682 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2noc(CC)n2)C1 1508131952 PJTIMXUYUMUUEW-OAHLLOKOSA-N 415.498 1.370 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccnc2)CCOC1 1509815777 KTTLXUNNLRITLN-GHTZIAJQSA-N 412.494 1.685 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1512465127 NKXZFUDYNVCSRV-OFXSGMSSSA-N 418.523 1.250 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512520716 XKTCUNNTYLKQST-MKXGPGLRSA-N 418.542 1.400 30 10 HDEE CCc1nnc(N2CCC[C@H](n3ccc(C(=O)NC)n3)C2)n1Cc1ccc(C#N)o1 1513889347 GXEGLJSFQYBPOC-AWEZNQCLSA-N 408.466 1.751 30 10 HDEE CCC[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1514299678 JKAAXRJHDXSMSH-HFUDNHEJSA-N 417.514 1.568 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1519400986 FAYQDYBBNBRKMY-UHFFFAOYSA-N 420.464 1.867 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1521843373 LQZXOGCEZOJEHP-OALUTQOASA-N 419.547 1.841 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(I)cc1OC 1526691820 FBSKZMJPOCVYOY-UHFFFAOYSA-N 409.245 1.630 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)s1 1528252356 FLMJOGFATLTOMC-MNOVXSKESA-N 410.970 1.767 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCc1ccc(CC#N)cc1)c1ccc(S(C)(=O)=O)cc1 1529869983 GIHVEFFKJBXIHU-OAQYLSRUSA-N 413.499 1.824 30 10 HDEE C=C[C@@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 1538944035 XCKRBEYFVSKTCO-GOSISDBHSA-N 400.456 1.891 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1539409025 LWMYWGAYFGNRCD-GHTZIAJQSA-N 414.510 1.493 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1540891922 BVPJLVZUNDDQAO-CVEARBPZSA-N 410.540 1.267 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1552900701 JOABBUSKEQSGOH-ZWKOTPCHSA-N 413.503 1.785 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1)[C@H]1CCOC1 1552914384 YUHDWUOJVINPJD-SFHVURJKSA-N 410.478 1.291 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1555328533 SROJHADMSHXXLP-AWEZNQCLSA-N 415.841 1.905 30 10 HDEE COC[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555351850 CLMXIJBTAYQDIC-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE COCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1555486757 LWTBUASCQMDHSX-MRXNPFEDSA-N 418.885 1.627 30 10 HDEE C#C[C@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1556795929 LIZWQCWDGZLEGJ-OAHLLOKOSA-N 406.438 1.093 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1558464928 RJWIFIVICFEPJQ-CQSZACIVSA-N 402.480 1.248 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1559218264 SXDDZUAKRWOURW-KSSFIOAISA-N 410.496 1.534 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1559843229 XFQDUWNPVOYVFK-SJORKVTESA-N 413.927 1.106 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN(CCN1CCOCC1)[C@@H]1CCSC1 1559945976 HZZGVKAWIULYTI-GOSISDBHSA-N 413.543 1.426 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@H](C(=O)OC(C)(C)C)C3)CC2)c1C#N 1565294419 RZHLWNGCVOQEDC-SHTZXODSSA-N 402.499 1.552 30 10 HDEE Cc1ccc(C(=O)NCC(=O)c2c(F)cccc2F)cc1S(=O)(=O)NCC#N 1570524974 JSWRBDUOTRZBPW-UHFFFAOYSA-N 407.398 1.688 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOC1 1583847826 GAAYGBJPTAVITR-GOSISDBHSA-N 412.439 1.354 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(C(N)=O)co2)C1 1584234816 AQYMPMDDPLTLFQ-UHFFFAOYSA-N 404.224 1.160 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)c1 1585390894 APQWATFWKROORS-KRWDZBQOSA-N 422.459 1.522 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1587562697 SAQPLIZDMSAUEA-CJBAZIHXSA-N 413.547 1.932 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCc1ccco1 1587683481 KJSZSVYWRDMKNC-MPGHIAIKSA-N 401.467 1.369 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CCCO 1587921674 FPMSOUUJOIDKQF-NQIIRXRSSA-N 405.543 1.235 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Cl)cn1 1588089861 QEBSSGQOLKUIIU-IBGZPJMESA-N 402.886 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)NC 1588186413 XRMFCKDZHPRQII-IBGZPJMESA-N 413.547 1.832 30 10 HDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOC 1588581199 KILPGRCWCVRFGV-UHFFFAOYSA-N 420.539 1.279 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1 1589669558 ZFAUITKHQNFGFB-UHFFFAOYSA-N 419.551 1.606 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)cc1 1593602404 XDQKDKGPEPQHTC-MOPGFXCFSA-N 412.467 1.730 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2(C)CC2)CC1 1594097723 XPFCBEOPJWABCM-INIZCTEOSA-N 409.556 1.958 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)NC(C)C)C1 1595730675 XWGSUWRGUBBLEM-MRXNPFEDSA-N 413.588 1.976 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)COc1cccc(Br)c1C#N 1595875011 SLSOGTJTTRKWKN-UHFFFAOYSA-N 418.313 1.487 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1595878094 IJFBKBORXZAXQG-HOTGVXAUSA-N 406.556 1.501 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N1CCCC1 1598278372 DJGRDAXEIHHKMU-FTRWYGJKSA-N 403.506 1.792 30 10 HDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1612813426 BXPHYRKDEJPPAN-HNNXBMFYSA-N 420.477 1.871 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1615323436 UXQSRFLWNMSZDB-DLBZAZTESA-N 404.515 1.549 30 10 HDEE CCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)C1 1615799568 PVNALZCKFQZSIX-NHAYFPRASA-N 406.506 1.786 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1617493268 CKNLEBVMJCLLAG-NSHDSACASA-N 400.298 1.390 30 10 HDEE Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCC#CCO)c1 1617899527 AWXZDDLPPVUCHJ-UHFFFAOYSA-N 417.443 1.738 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C#N)C1 1619779277 GNVRTRUXSVGGNJ-WIYYLYMNSA-N 415.494 1.682 30 10 HDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C 1620595421 XTAYMSIZLYOCHJ-UHFFFAOYSA-N 407.536 1.057 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1622131093 WWKBAQGNBRDJCN-OAHLLOKOSA-N 402.538 1.467 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N(CCC#N)CCC#N)CS(=O)(=O)[C@H]2C1 1625385355 SUKHZBQYROUZCY-OAGGEKHMSA-N 424.523 1.313 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1cc[nH]n1 1625794742 PMFPUAWGXKQEOJ-UHFFFAOYSA-N 401.467 1.808 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2C2OCCO2)s1 1626203158 NUNSPIPTGSWMEX-CQSZACIVSA-N 400.522 1.509 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)C(=O)OC 1626204968 RWGCDOYGNJELTE-HUUCEWRRSA-N 410.471 1.189 30 10 HDEE CN(C)C(=O)[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1626435835 APZYSFPUDABXJG-GFCCVEGCSA-N 405.296 1.694 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCCN1CCC[C@H](C(N)=O)C1 1627428089 WTOPBYCAHBGGSK-ZDUSSCGKSA-N 423.311 1.403 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1628850388 ZCKXYWVFUBDKLU-GDBMZVCRSA-N 404.463 1.870 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1629703498 CSEDZUJLPCXQLU-UHFFFAOYSA-N 407.467 1.945 30 10 HDEE COCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1631996536 DKHHTOPVLNGRFC-UHFFFAOYSA-N 421.295 1.074 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 1636434422 LYHVSRONDXASQH-GCJKJVERSA-N 412.490 1.999 30 10 HDEE N#C[C@H](CO)NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 1636605425 SUGARQRPHVAKKO-OAHLLOKOSA-N 409.471 1.939 30 10 HDEE CCN(CC)CCOc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1637505179 FCJURANWFAJYCB-UHFFFAOYSA-N 411.462 1.238 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C[C@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1638691793 PXCWDQDWGDCTEV-DZGCQCFKSA-N 415.416 1.233 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1638905754 BPQWKGFWWIMYCM-SJORKVTESA-N 405.524 1.418 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccnc(C#N)c2)C1 1640005155 DEDNBHRVGTVKCL-HNNXBMFYSA-N 402.480 1.010 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1642565265 GPBCLOFDUVMLLX-KRWDZBQOSA-N 416.478 1.663 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[C@]2(O)CCCOC2)s1 1646347545 XQGJEEFICVEASK-SFHVURJKSA-N 416.565 1.439 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cc(F)ccc1N(C)C)c1cc[nH]n1 1648245783 AXEHQTOMXKCWCP-LBPRGKRZSA-N 405.430 1.776 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)OC)cc1 1650997399 FEFHORXTFUZNCH-UHFFFAOYSA-N 408.520 1.896 30 10 HDEE Cc1nn(C)c(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)c1C#N 1653318247 CAGSKIOCNNTZEA-QGZVFWFLSA-N 424.505 1.047 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@](C)(CO)Cc3ccc(F)cc3)CC2)o1 1656294150 TWHYROVLEFHJAF-OAQYLSRUSA-N 415.469 1.226 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1658187922 KHNADKBSSZHYOQ-AWEZNQCLSA-N 413.496 1.165 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)cc1 1663179462 HKTVETZGDVDSMR-UHFFFAOYSA-N 406.485 1.028 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1664372899 UEDQBTXATLUGHD-MRXNPFEDSA-N 421.496 1.785 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680778705 KLRQGXJOUXIUHO-HNNXBMFYSA-N 420.395 1.911 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)nn1 1686847885 GPUSNYYGLRGBAJ-UHFFFAOYSA-N 420.420 1.733 30 10 HDEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1686945535 WVVLWFKEBDMWOL-KRWDZBQOSA-N 419.445 1.104 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)N3CCO[C@](C)(C#N)C3)CC(=O)N2C(C)(C)C)cn1 1687043990 FJFGSCGTOLCBDM-CFLQYTFWSA-N 402.499 1.432 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1689826806 VACYLVGQAGWCNO-JKSUJKDBSA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1689831615 NZLRZWKDPSMGFV-PXNSSMCTSA-N 407.584 1.825 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1689851874 WRXZRICVHUWGAL-MAUKXSAKSA-N 402.520 1.833 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1689988247 LNMQEMBKXKWAQU-INIZCTEOSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689998048 ALDUSONFVMTYLX-JKSUJKDBSA-N 405.480 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1690052618 NATJHMPPCRMWAJ-DEOSSOPVSA-N 421.545 1.601 30 10 HDEE C#CCSCCn1c(N2CCc3oncc3C2)nnc1[C@]1(OCC)CCOC1 1690186882 WVHDCXCYSCWLBZ-IBGZPJMESA-N 403.508 1.847 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccs2)C1 1690685058 UUUZJMAGNHNTLI-OAHLLOKOSA-N 402.524 1.995 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)c1ccccc1 1692542178 FBSPXHUNHDFAAV-AEFFLSMTSA-N 411.510 1.670 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)o1 1693042152 CQDQSWQMDWECFQ-CYBMUJFWSA-N 407.496 1.382 30 10 HDEE COCCN(c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CC[C@H](C)C1 1698035221 BUKDMVYKOVHJQH-ZXFOJKPWSA-N 402.499 1.754 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc2c1OCO2 1698171207 PEIDNWXPKJPGAC-GDBMZVCRSA-N 415.450 1.508 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccsc2)nnc1N1CCOCC1 1698520382 JISOQQJLOUUYJN-ISLYRVAYSA-N 414.491 1.293 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCCCO)c1 1705505482 OJQSSMOPEKGELZ-UHFFFAOYSA-N 419.489 1.954 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)CC1 1705530545 PBEYMVIZLKMVDX-UHFFFAOYSA-N 421.509 1.103 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705569429 HDYGLGNIRAKMOB-RTBURBONSA-N 421.611 1.834 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705829752 BNHWDYUUOCATND-VQIMIIECSA-N 410.540 1.390 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705894419 YEIAVFADYPLYTG-ULQDDVLXSA-N 405.499 1.016 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncn(C)n2)C1 1705914264 KLBPPSSOHXZPPY-HNNXBMFYSA-N 402.503 1.155 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCC2)C1 1705915566 WAHJWSWOBYRHGV-KRWDZBQOSA-N 403.527 1.991 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1706747829 COZFMXMCIDAUQP-RDBSUJKOSA-N 413.448 1.852 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCSCC2)CCCC1 1710744520 GATJJLVWWVOREQ-QGZVFWFLSA-N 420.583 1.905 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1712692199 NIVKTTGINLCRAV-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1722296062 NFEBSMXSHJFWPI-DLBZAZTESA-N 423.583 1.895 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN(CC)CC)C1 1722332250 HAZNNCKYGJAFAA-MSOLQXFVSA-N 407.584 1.762 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722333835 OVHWZIGXVHUENL-GOSISDBHSA-N 423.521 1.754 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722345348 OXAGKWDOLHTYSB-HUUCEWRRSA-N 419.448 1.335 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722361998 QQXDRIHPVOJIRE-GQIGUUNPSA-N 417.535 1.451 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1722369813 HHTBIMPXMVZNLB-ZWKOTPCHSA-N 415.519 1.394 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722370034 KMAKJWZQSWUGSN-MSOLQXFVSA-N 423.583 1.173 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@](C)(CC)O1 1722373402 MTWUSSPECAEXNW-FRQCXROJSA-N 407.540 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCn1cc([C@H]2CCOC2)cn1 1722381991 JGYTVEPYIAFTOB-FQEVSTJZSA-N 415.501 1.737 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)C1 1722714425 MXNWRIIZGUDUON-ZWKOTPCHSA-N 416.526 1.269 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)C1 1722717482 BBQCBZIQOWJSRC-NVXWUHKLSA-N 420.539 1.052 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCC(=O)NC)C1 1722720936 PLQPPIUUTYEQTH-CQSZACIVSA-N 418.523 1.187 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1 1722728177 REHRXPOWYANUFP-UHFFFAOYSA-N 423.502 1.844 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)CCOC1 1723678251 UDMLOXWQINAISR-PMACEKPBSA-N 424.521 1.339 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1728497836 GKAJALAHOUXPPC-PBHICJAKSA-N 414.507 1.243 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1730956978 SZRXPCWJHTWHJS-GRXQJBFDSA-N 419.526 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1740546239 WHOQRMPLPQQBDN-HNNXBMFYSA-N 420.564 1.177 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1740669044 KLPJZXQTLPSKQF-UHFFFAOYSA-N 421.505 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCn2cnc3ccccc32)CC1 1740705317 FBAUSJROMRJQEH-UHFFFAOYSA-N 405.506 1.856 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1 1740751141 YELZLKKCXXSLFD-ROUUACIJSA-N 413.526 1.865 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740786214 UVFMNHKKKXJSAP-WCVJEAGWSA-N 400.545 1.836 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740795569 XXBAXNSUVITKEJ-KSZLIROESA-N 423.583 1.446 30 10 HDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740947659 ZCZNQOFWQORCMV-LJQANCHMSA-N 424.505 1.830 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2sccc2C1 1740991104 OOUMWTJTIIPTOM-AWEZNQCLSA-N 421.548 1.454 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748823749 BBIKUUOMWAIAJG-CABCVRRESA-N 416.494 1.877 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1748824089 IPVRBWIFHOBNTP-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1 1748914631 MKCNAMKVJSKTCT-HXUWFJFHSA-N 402.520 1.969 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(C)COCCO1 1748956403 QUTVMNYSNUUJHN-NRFANRHFSA-N 400.479 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCc2cccnc2)CC1 1749010851 RCSCOFPLCYFRME-UHFFFAOYSA-N 417.517 1.887 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1750171724 CAQUMQHVQXETNR-UFOSLELVSA-N 412.450 1.598 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750980235 HRPOZUZQUOKNNR-IAGOWNOFSA-N 424.461 1.846 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1752528129 CZZVDTALRLUIAU-HXUWFJFHSA-N 406.450 1.431 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1760115922 CWVYIJSOXICKII-QWHCGFSZSA-N 407.462 1.132 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCC2(O)CCC2)CC1 1760271952 SPCKDXPGQRWIEQ-UHFFFAOYSA-N 422.533 1.535 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCN(CCC)C2)CC1 1760272862 BAVPOWZOJVTXHG-GOSISDBHSA-N 416.570 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1760293799 FKFMRKZXHMAFGY-ZRGWGRIASA-N 405.524 1.046 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1760294806 GXSREFOXCNTFSM-RZQQEMMASA-N 421.567 1.477 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1760329285 WNLXWNPHTJJMDN-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1760540917 RDANVZAYGWILPE-FXAWDEMLSA-N 418.519 1.276 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1760564738 GJALZXLCXGLOPD-CVEARBPZSA-N 408.572 1.305 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760853128 DVXDLTVJIUVLKT-OAHLLOKOSA-N 409.494 1.256 30 10 HDEE C[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N(C)C1CC1 1761409710 DLWITEXPYCXZQH-RDJZCZTQSA-N 420.583 1.793 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)COCCO1 1764909242 HRCMREJPMSCYOS-NRFANRHFSA-N 414.485 1.983 30 10 HDEE CN(C[C@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1768791557 KAYJTLJZZDEJBG-CQSZACIVSA-N 418.523 1.776 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1770751276 DYCRIHJJWQIIEH-HUUCEWRRSA-N 414.432 1.222 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1771238922 SBNUMLFOEKKPLS-ZBFHGGJFSA-N 413.482 1.294 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1771534841 QLYWLOWAWNZRQM-OAHLLOKOSA-N 418.404 1.089 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1 1772516561 TYSDXCLCADPLJB-UHFFFAOYSA-N 424.501 1.870 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)CC2 1848736120 PTKQZVLNYWBYKV-UHFFFAOYSA-N 417.466 1.406 30 10 HDEE N#CCOc1ccccc1C(=O)O[C@@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1850544607 IVRYRZWJHFIVAG-IEBWSBKVSA-N 419.437 1.758 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC2(C#N)CCOCC2)cc1 1850740535 WSZAOWNNBOAUJI-GOSISDBHSA-N 421.519 1.675 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(c3cccc4c3CCCC4)C2)c(C#N)c(C)[nH]1 1851578220 RZCXSVXOUARPAA-OAHLLOKOSA-N 405.458 1.958 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4cccc(F)c4)C3)CO2)nc1 1852163034 FZWOWEQMUZWMKF-SJLPKXTDSA-N 410.405 1.804 30 10 HDEE Cc1ncn(CC(=O)N2C[C@H](C3CCN([C@@H](C)CCC#N)CC3)CC2=O)c(=O)c1C 1853935299 IMIHJYRJSBBIOS-HNAYVOBHSA-N 413.522 1.640 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2=O)cc1C#N 1854036848 FVUVJLWJROLNEL-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1 1856031743 FKVJRIAJWHPJGV-LEWJYISDSA-N 410.518 1.876 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1C#N 1856547988 GRSJGJQZLPYTFI-HXUWFJFHSA-N 408.502 1.595 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(Cc4cccnc4)CC3)CC2=O)c1 1856639067 HDVBGLXBVYOKNA-FQEVSTJZSA-N 403.486 1.760 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1856969546 HJEFLNPFQWEVMQ-CQSZACIVSA-N 415.446 1.688 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccnc2OCC)C1)[C@@H]1CCN(C)C1=O 1857264488 NWBOGRVOMYRYOF-DOTOQJQBSA-N 400.479 1.188 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1 1857420082 RXAMLTQFCRSKDC-UHFFFAOYSA-N 411.483 1.990 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c(OC)c1 1858298762 YLQBMIPQCODURY-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE COc1cc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862565285 SXFGLOFFUBCEJG-QGZVFWFLSA-N 414.414 1.562 30 10 HDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 1869929850 OKXVARSHRWDFIP-MRXNPFEDSA-N 413.503 1.248 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2ccc(OC)c(OC)c2)CC1=O 1872981017 DYAJYRHLEACCEH-QVKFZJNVSA-N 410.474 1.936 30 10 HDEE C=CCn1c(C(=O)NCCN(C)C)cc2c(N(CCOC)CCOC)ncnc21 1873594751 ALMQXGNBIMHMNQ-UHFFFAOYSA-N 404.515 1.008 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874341689 PXDQFKZBKPJRMH-DGURAOSJSA-N 419.507 1.770 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C1(O)CN(C(=O)OC(C)(C)C)C1 1918776662 GFMPRXNKZLNBLZ-NSHDSACASA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C#CBr)C1 2006220721 OUGQWAPJWBYEEO-GFCCVEGCSA-N 402.289 1.222 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CC#N)C(F)(F)F 2046061986 LWVUTBSFQPFITD-WFASDCNBSA-N 421.372 1.775 30 10 HDEE C#CCOCCOCCO[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2133403265 PPGMLEZIIYYXAR-OAQYLSRUSA-N 405.447 1.925 30 10 HDEE N#CC1CN(S(=O)(=O)Nc2ccc(I)cc2[N+](=O)[O-])C1 2174789723 UOCSDJZWDQLNFG-UHFFFAOYSA-N 408.177 1.311 30 10 HDEE Cc1cc(S(=O)(=O)N=c2[nH]ccnc2I)ccc1C#N 2178138236 VEMBUVZMDIUGGN-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@]1(F)COCCN(C(=O)OC(C)(C)C)C1 2182455814 ZYOQYNOMIMMTMF-RHSMWYFYSA-N 407.508 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 2183270658 IEQSQMYKLCSNGU-KBPBESRZSA-N 415.899 1.860 30 10 HDEE Cn1c(Br)nnc1CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2232306919 MFILDOGIQGAICW-UHFFFAOYSA-N 408.109 1.348 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243436707 LWWKUEBOWQFKDI-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE COC(=O)[C@@H](CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243663615 IAEQDICATNUJOW-CYBMUJFWSA-N 410.276 1.194 30 10 HDEE CCn1cc(C(=O)N(CC(N)=O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2247841198 UTSKATHJOFRPNJ-UHFFFAOYSA-N 412.299 1.330 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247856488 KTYSCDTVTQCGIG-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247931191 XHNWUAWYRGMFSI-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE C[C@@H]1CNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709887 JSHJNAQNYFAUJW-MWLCHTKSSA-N 406.766 1.587 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(CCS(C)(=O)=O)C3CC3)ns2)OC1(C)C 2282001803 GXCFVTFYFGQVID-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CSC[C@](C)(O)CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282036107 DREOMGJXFBMTPJ-MRXNPFEDSA-N 403.741 1.217 30 10 HDEE CN([C@H]1CCNC1=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282305255 WGMWIYIFUCGDDC-JTQLQIEISA-N 420.749 1.210 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2282309940 NBNITSDKIMCOLC-RUZDIDTESA-N 401.359 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CN(C)C 2282315697 RHFSAOLKSZURFC-LBPRGKRZSA-N 402.391 1.832 30 10 HDEE CC1(C)[C@@H](O)C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329324 LAKSVVRDCLNCES-RYUDHWBXSA-N 401.359 1.733 30 10 HDEE CN([C@H]1CC[C@@H](O)CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337585 MBVFIBSAGGVPSR-OKILXGFUSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CCC(N)CC3)s2)OC1(C)C 2282339648 VZWIRPAUFBHYSQ-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE CC1(C)CC[C@@H](N)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282420467 ZMWYLHYGWMNVAC-GFCCVEGCSA-N 400.375 1.938 30 10 HDEE CC(C)N1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282490685 KJRVTIWJQXCARD-CYBMUJFWSA-N 400.375 1.808 30 10 HDEE CN([C@H]1CC[C@@H]1N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282496322 YTNDPDSXWRKXQC-KBPBESRZSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CC[C@@H](O)C2)OC1(C)C 2282502145 HEPMWADDNVCOAD-GXTWGEPZSA-N 401.359 1.628 30 10 HDEE COC(=O)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504182 LFNDULXZPWTRGH-JTQLQIEISA-N 403.693 1.479 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]2(C)CCC[C@@H]2O)OC1(C)C 2282509121 GTDGWVSWKSGIBT-BLLLJJGKSA-N 402.347 1.165 30 10 HDEE CC1(C)[C@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282510886 GAPQVFWOCUNJHM-CQSZACIVSA-N 401.721 1.783 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCS1(=O)=O 2282603550 IEOQASBZGYXVJG-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@H](O)CCO3)c2Cl)OC1(C)C 2282635646 DLXISSYOWVCJJB-MNOVXSKESA-N 401.721 1.970 30 10 HDEE CNCCN(C(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282833248 VYJJHDPSBHKXAY-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE CN(C[C@@H]1CCSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835489 VLAHMAXLZFROKM-LBPRGKRZSA-N 418.415 1.957 30 10 HDEE CN(CC1CC(F)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839910 JXSPLVYIIXWBCT-UHFFFAOYSA-N 404.338 1.952 30 10 HDEE CS[C@@H]1CCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282843870 TZNJATSVLWBCCB-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCC[C@H]2CO)OC1(C)C 2282878553 HQEIIUAQVJDMHM-STQMWFEESA-N 401.359 1.734 30 10 HDEE CC1(C(=O)O)CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284392996 FBARXSJRNFQDDZ-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CCC1(C(=O)O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284400828 YRRYEESHZQPPEU-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(=O)O)Cc2ccccc2)n1C 2300228373 WDGYESXPSJOMPO-UHFFFAOYSA-N 413.283 1.755 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)CC1=O 2327842483 HJGDRYJSYZDGNH-ZDUSSCGKSA-N 416.507 1.558 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OCC)cc1 2330742634 HEGOUXRCZUNGLB-UHFFFAOYSA-N 418.523 1.813 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1 2362317493 SCMTYAUTHKQIHR-HUUCEWRRSA-N 401.529 1.870 30 10 HDEE CCc1csc(C#C[C@@H](N)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363969838 DXYYYLLHQAXGRE-HIFRSBDPSA-N 413.565 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2[C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365194462 RBEOFFSTEGZYNW-HZPDHXFCSA-N 400.541 1.258 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C 2367792242 MSSFQGPOFYOEJO-OAGGEKHMSA-N 400.541 1.427 30 10 HDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=C3CCCCC3)n2)cc1 20836469 OVBVSHDMZAMRJU-UHFFFAOYSA-N 423.524 1.915 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)CC1 438243000 ZBYQESMPQIHIPK-OAHLLOKOSA-N 403.483 1.112 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(C(C)C)nnc4[C@H]3C)CC2)o1 439284360 MKEIJTVNOVEEIV-CQSZACIVSA-N 412.498 1.295 30 10 HDEE CO[C@](C)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 463488195 BMSNLLXYTAAGKV-LJQANCHMSA-N 406.508 1.389 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 478419913 VOJJRRFBLURNCT-AUUYWEPGSA-N 407.492 1.022 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)c(F)c1 480686703 DUXWHMGPHKLUHC-UHFFFAOYSA-N 416.478 1.957 30 10 HDEE Cc1cccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)c1 489117569 PWCOZCKWOYHEAX-FQEVSTJZSA-N 400.504 1.922 30 10 HDEE CS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)Cc1cc(C#N)ccc1F)CCO2 501003337 WHJVSQBWVRHPNX-UHFFFAOYSA-N 410.448 1.830 30 10 HDEE N#Cc1cn(CC(=O)N2CCN(C(=O)c3cccs3)CC2)c2ccccc2c1=O 502589352 ZHQBGIRHRQAQIX-UHFFFAOYSA-N 406.467 1.919 30 10 HDEE Cc1cc(C)n2c(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cnc2n1 506158967 CYXBVVYIFCWYPQ-UHFFFAOYSA-N 410.503 1.724 30 10 HDEE CCC(=O)N[C@H](CCSC)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 509723734 GLJDZKAYAANZMD-IAGOWNOFSA-N 402.520 1.818 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 513265918 DQPBZPYWTACXBS-MLGOLLRUSA-N 402.480 1.405 30 10 HDEE COc1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)ccc1C#N 517001487 FGRVQMGFELZGIA-UHFFFAOYSA-N 403.460 1.756 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)cn1 521329099 PRRJWVFYLQSPCO-OAHLLOKOSA-N 407.473 1.707 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)o1 523305897 RJCRQRSVYGEMFE-UHFFFAOYSA-N 411.527 1.950 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 537173067 ZLLSOBFZSMTVEE-CQSZACIVSA-N 403.508 1.324 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCN3CCN(c4ccccc4)CC3)CC2)n1 546196711 OCARJAXEUHQWQU-UHFFFAOYSA-N 404.518 1.814 30 10 HDEE CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 546687737 NMQWCYCVGDMOAV-CYBMUJFWSA-N 419.511 1.812 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 546919118 FVYVFLWUVUXNAA-UHFFFAOYSA-N 400.464 1.869 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)c(F)c1 553041273 KGDBKRRXDOCKAU-HNNXBMFYSA-N 402.451 1.487 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 558167245 NCPYTNGIXAIFCN-GOSISDBHSA-N 408.524 1.530 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H]3CCCO3)CC2)c1C#N 576005920 HXSGABHQNKVUEJ-INIZCTEOSA-N 421.509 1.692 30 10 HDEE C=C(C)CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 578567058 YETZKSRPKRZGSW-CYBMUJFWSA-N 402.494 1.490 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC(C)(C#N)C1 580245652 YIEWRMONXBGZMX-UHFFFAOYSA-N 406.508 1.007 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4nccn4c3)C2=O)cc1 580809947 ZJTXQSPWEHHMTB-KRWDZBQOSA-N 402.414 1.062 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)c(F)c1 586862067 IOKXVLRPVOILBB-SFHVURJKSA-N 400.454 1.753 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CN(Cc2cccnc2)c2ccccc2)CC1 605294108 WCPIBYVWEONRPU-UHFFFAOYSA-N 407.518 1.535 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 670208937 SPJJGYBSKMNEGH-HNNXBMFYSA-N 411.553 1.885 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1 679528095 VUKWMJZFLGKVHK-UHFFFAOYSA-N 402.472 1.918 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(C)=O)c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 729333347 WYXPPOVLAPDOPA-SJLPKXTDSA-N 406.504 1.302 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 741692445 WNMJKEMICXTZCR-BCHHYXHLSA-N 406.483 1.713 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(OCCN2CCOCC2)c1 742396569 DYGYPSBKERYOCB-UHFFFAOYSA-N 416.503 1.529 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cncc3ccccc23)c1=O 758060543 HBWZBNWAKKJNAV-UHFFFAOYSA-N 402.479 1.120 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(Cn3c(C)nnc3-c3cccc(C#N)c3)C2)nn1 762461359 QNZAYKZYGLKGIN-QGZVFWFLSA-N 406.450 1.798 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ccn(C)n2)C1=O 765543275 JSLBQUBHWUZHLG-QGZVFWFLSA-N 414.535 1.620 30 10 HDEE N#Cc1ccnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 766958659 YOFXITJDWIEPDG-CQSZACIVSA-N 412.427 1.529 30 10 HDEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cccc(NC(C)=O)c1 779755012 ROHLNPDNBDIGBP-MRXNPFEDSA-N 404.492 1.915 30 10 HDEE COc1cc(Br)c(F)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 779893962 YQVODSULLHVBFS-LLVKDONJSA-N 418.288 1.958 30 10 HDEE COC(=O)C1CCN(C(=O)[C@H](OC(=O)[C@@H](O)c2ccc(C#N)cc2)C(C)C)CC1 780213972 JVMPSWVBOKPARE-ZWKOTPCHSA-N 402.447 1.571 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)[C@H]2C 784695812 SKBMJXHBVPOZGU-LBPRGKRZSA-N 402.480 1.043 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 792745300 FOWGXMJRDGKWJH-AEFFLSMTSA-N 411.531 1.969 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@H](C)c2nnc(-c3ccccc3F)s2)CC1 801525239 GTNHUMUSOBTYPF-CYBMUJFWSA-N 409.512 1.490 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)c1cc(C(F)(F)F)on1)c1cc[nH]n1 817041345 XTKYAFDRCPEJFR-UHFFFAOYSA-N 417.344 1.752 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1CC1CCC1)/N=C1/NS(=O)(=O)c2ccccc21 819306463 GMSYNKSYTDGVPQ-ZBFHGGJFSA-N 405.520 1.921 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2cccc(C#N)c2)NC(C)=O)cc1 916808997 JOFRHMOKDFWRPH-GOSISDBHSA-N 401.444 1.639 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)nn1 1127066720 AFWKXMNPQLESFR-UHFFFAOYSA-N 404.858 1.578 30 10 HDEE CN1CC[C@]2(CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)C1 1158522243 ALOZWDHJPDMGSG-XMSQKQJNSA-N 409.490 1.708 30 10 HDEE C#CC(C)(C)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1169242929 DGNVOGLKZXICIX-IYBDPMFKSA-N 407.536 1.767 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C 1171919873 MPMUTCGOJJAUTK-UHFFFAOYSA-N 423.535 1.812 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1176172783 KGBYFSGENMJFJA-LJQANCHMSA-N 417.506 1.955 30 10 HDEE C#CC[C@]1(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CCCN1C(=O)OC(C)(C)C 1180028602 SQQFDSHTQAUGIR-YCRPNKLZSA-N 415.494 1.670 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1180447765 NIYCHTJHNGUSLT-LIRRHRJNSA-N 414.487 1.992 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)C1 1213680001 JUHWOECSDPJKQI-CQSZACIVSA-N 417.528 1.352 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CC1 1251451423 ZGTPSXNXVODBGN-AWEZNQCLSA-N 411.441 1.303 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1251789872 NIKPBPVOCLHGBL-RMYFCYLKSA-N 405.499 1.095 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1254756160 WDERVWJAEJWORQ-UHFFFAOYSA-N 422.551 1.967 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cn1 1264377874 XNMLDZVNZKXTCE-UHFFFAOYSA-N 424.404 1.446 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCOC)cc1 1286407743 QCVSBDBYAHLERX-IBGZPJMESA-N 407.474 1.376 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@H]1C 1286409436 LOCDMBIBOSTDSK-BPXKWBHBSA-N 408.458 1.403 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1286423060 QIOPTHYKIHZHAU-COPCDDAFSA-N 416.522 1.322 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CC[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286480005 ZGLBNOCQJARSGU-MRXNPFEDSA-N 414.476 1.249 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1286602009 RBONWCOKXDYLNE-UHFFFAOYSA-N 418.542 1.504 30 10 HDEE C=C(C)COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)C1 1286606947 HWSFEVUJMJQQBY-UHFFFAOYSA-N 407.478 1.660 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)C1 1286804917 OCNHDLGMUZAWRJ-CYBMUJFWSA-N 410.400 1.800 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCOCC2)C1 1286812397 OUARXIMDKPFECO-AZUAARDMSA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(COC)CC1 1286820470 LVLUFBMVFHCBSR-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1286835158 RUWNLORVCPBWNZ-MRXNPFEDSA-N 420.583 1.815 30 10 HDEE CC(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1287555855 OGTNLAUNTHILQB-GOSISDBHSA-N 421.505 1.400 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(C#N)o1 1292013032 HGRIKPIUFFTLCH-CYBMUJFWSA-N 413.482 1.376 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 1296112676 HGQFHGGWMISOQN-NHHWLVAYSA-N 410.445 1.994 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)C1 1296165790 BZMFTNRIMQYLHV-JIGPKXGUSA-N 412.490 1.710 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1296263366 AZBWOZAFOJKJLN-SFHVURJKSA-N 409.490 1.850 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1300268483 QSJLVBZDQXJEEL-OAHLLOKOSA-N 414.485 1.752 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c(C2CCC2)cnn1C 1300612822 YGEIOLDLAQOBFW-CYBMUJFWSA-N 401.492 1.542 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)cc2)CC1 1300680855 GFLUUHGDGRNUSV-UHFFFAOYSA-N 400.914 1.873 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)OCC)CC1 1300685488 PCVCHBUTNIMVMW-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300990295 UURJEFISIBHYLU-PMACEKPBSA-N 419.570 1.923 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1301261068 ATXONXDWJGHOTQ-GBESFXJTSA-N 405.543 1.879 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1301372369 KZNLXWSLKQKFQF-SFTDATJTSA-N 403.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CCC)C1 1301478836 PGUJFEGCOJDXJE-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN2CCCC[C@H]2C1 1301579136 OACSESNSSPDOPF-SFHVURJKSA-N 416.551 1.615 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)[nH]ccn12 1303589496 NODZJPUBPYWHMK-NSHDSACASA-N 410.862 1.112 30 10 HDEE COC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1303710500 IPJNBEPSIYOSLM-GUYCJALGSA-N 407.492 1.463 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1303901857 LVMTVGHCKWSEIX-OLMNPRSZSA-N 417.441 1.701 30 10 HDEE Cc1nnc(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)s1 1304783393 ONWPSFBYKVPTBM-LBPRGKRZSA-N 402.871 1.931 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@H](C)O)nnc12 1306843072 VUQVUFJTQKCGEV-JSGCOSHPSA-N 401.492 1.598 30 10 HDEE CN(C)c1ccc(CNC(=O)Cn2cc(C#N)c(I)n2)cc1 1307360616 AGYINPXCFMDHKG-UHFFFAOYSA-N 409.231 1.742 30 10 HDEE COCc1nocc1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1315875890 OGKGMEVQKUTQRP-HNNXBMFYSA-N 400.464 1.842 30 10 HDEE COc1ccc([C@@H](O)C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1324111239 AQTIIRUZEROCLR-SADKCHQCSA-N 413.474 1.884 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1342229036 RGCQYSZBIRSVGB-FEEIMYBTSA-N 416.503 1.511 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358881284 CAQRNZYTBMKXHT-APFMSCDFSA-N 415.457 1.801 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H](C)N2CCOCC2)c1 1358902632 USQXYFMNAIPWKH-QGZVFWFLSA-N 422.533 1.932 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1358913409 NMHAWOHXNHWBFA-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1358922292 AFCPORCPAFRONR-SFHVURJKSA-N 411.506 1.897 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccc(C)cc2n1 1358937815 INBTZANGVLRCOG-UHFFFAOYSA-N 400.446 1.999 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)[C@@H](C)CC)CC1 1359038098 KNVHUWMVXKAFSU-ROUUACIJSA-N 402.543 1.217 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NCCC)CC1 1359040071 GTOHBSIQTMMIFE-UHFFFAOYSA-N 402.543 1.458 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)CC1 1359098018 WNDXJFFLMIPALH-IEBWSBKVSA-N 413.526 1.485 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1359307101 ALTMEZDNEKVFGT-MRXNPFEDSA-N 407.478 1.603 30 10 HDEE C=CCSCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359346209 FMVUXEZNTARCJQ-XLIONFOSSA-N 423.583 1.370 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21)[C@@H]1CCS(=O)(=O)C1 1435069888 UGPLSNLBCIEPCQ-MWQQHZPXSA-N 408.317 1.984 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCC(=O)NCc2ccccc2)c1 1442500278 ZMHGPFIYCITRLC-UHFFFAOYSA-N 403.435 1.559 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 1449840937 KSNWKZMLTCJSHI-HNNXBMFYSA-N 405.520 1.352 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1453937163 ZFCBUEBTRKGXFM-CQSZACIVSA-N 404.444 1.535 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc([C@@H]4NC(=O)NC4=O)cc3)CC2=O)cc1 1454159376 LMIBXJQWPUSOIQ-KDOFPFPSSA-N 403.398 1.430 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1457988187 ZNONJYGQVZISSM-KRWDZBQOSA-N 419.503 1.626 30 10 HDEE N#Cc1nc(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)ccc1Br 1461103010 GAKKAOIFQBRJPV-UHFFFAOYSA-N 406.240 1.909 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1469520998 XXLUBTBTEPZIEF-MRXNPFEDSA-N 420.531 1.976 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CC3(CCOCC3)CO2)C1 1469729346 KYSMWUZNYIAMLP-HRCADAONSA-N 408.499 1.630 30 10 HDEE C=CCOCCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1470174370 YVZNECAZXWSWCM-MJGOQNOKSA-N 410.536 1.643 30 10 HDEE COC(=O)c1ccccc1-c1ccccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1470360021 AWDHMHGLZYIZNV-UHFFFAOYSA-N 418.409 1.704 30 10 HDEE C#C[C@@H](NC(=O)NCC(C)(C)CS(N)(=O)=O)c1ccc(Br)cc1 1470663149 LHAIAXDDZOOSMF-CYBMUJFWSA-N 402.314 1.737 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNc2ccc(C(=O)OC)nc2C#N)CC1 1472657846 IBKCOOYXXSJTJR-UHFFFAOYSA-N 417.466 1.669 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1 1475173256 BIPOACPPHMJUJE-IBGZPJMESA-N 413.499 1.501 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(CC(N)=O)CCCCC2)C1 1478403702 MZVRLAJGHREOGW-GJZGRUSLSA-N 407.515 1.871 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1494654101 DCQAMWFGSWVHDX-YHEJKZAPSA-N 424.505 1.448 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(=O)(=O)CC)cc1 1497911987 CYWKRKONFWMGHO-LJQANCHMSA-N 420.514 1.889 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1503260407 QMNCAPXSWSDHDN-CRAIPNDOSA-N 413.544 1.492 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1507517122 ORVMWFUXJJJRGH-STQMWFEESA-N 406.512 1.261 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccn2)CC1 1507593956 XFLONCYAYLSUFW-UHFFFAOYSA-N 421.505 1.171 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507631302 CQEXJKVJHCAXMB-VQHPVUNQSA-N 419.551 1.292 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1507690777 SNBFMXDFEQUPRN-FQEVSTJZSA-N 402.587 1.905 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2cccs2)CC1 1507731274 FBLKWJUAOCISLP-UWJYYQICSA-N 415.563 1.897 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CCN2CCCC2)CC1 1507732648 RFQPDTBYVXWIFD-UHFFFAOYSA-N 424.549 1.717 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507755049 KEWBAMDLRMIXJB-OAHLLOKOSA-N 414.539 1.129 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cs1 1511545846 LSALAVCBPWAYAJ-PBHICJAKSA-N 417.539 1.083 30 10 HDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1512654407 FCFSVDGFOFZNFI-IBGZPJMESA-N 405.524 1.849 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1ccnc1C 1513354829 DDGAXJJDYODNFP-LJQANCHMSA-N 402.478 1.844 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]34C[C@H]3CN(C(=O)OC(C)(C)C)C4)CC2)c1C#N 1516423566 IBGQJWUQKGIRSF-YCRPNKLZSA-N 414.510 1.506 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccc(C(N)=O)c1 1519410545 SCSVZWZANRUGCU-JLSDUUJJSA-N 412.494 1.745 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 1521334915 MSUWMDWYDJXHQD-GOSISDBHSA-N 406.914 1.894 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)C(=O)OCC 1531937379 YALPXPXIFPOXCU-CQSZACIVSA-N 419.931 1.860 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)C1CCOCC1 1533501556 XTYYGSPALLDYFN-SFHVURJKSA-N 408.520 1.884 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CCOCC2)cc1 1534972632 KWYFTCYCJZEPPW-UHFFFAOYSA-N 410.474 1.935 30 10 HDEE CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1CCN(S(C)(=O)=O)CC1 1535066486 BGIAEQILPJGONW-OAHLLOKOSA-N 416.544 1.456 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1OC 1535414883 XOFMVOXHQUTHKG-HNNXBMFYSA-N 407.854 1.868 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1537469269 NBCUHHVLGLBVOI-ROUUACIJSA-N 420.531 1.976 30 10 HDEE COc1cc(C(=O)N(c2cc(C#N)cc(C)n2)C2CC2)cc(OC)c1OCC(N)=O 1538639197 FJVVQINZJCWRGJ-UHFFFAOYSA-N 410.430 1.952 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539203210 OGCWHASIXHOJAI-HIFRSBDPSA-N 405.528 1.088 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1539218861 ABRBVPUJWRCHKD-SJORKVTESA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539222646 WYYUQNDVOQDGMW-MSOLQXFVSA-N 415.519 1.046 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N(C)C 1539414034 RIRSGBCDJXZONG-HOTGVXAUSA-N 416.551 1.680 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)c1ccccc1 1539423156 SUZPFEWUBBGFMA-GOSISDBHSA-N 418.519 1.690 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1539452197 OACPZSKDFPGQOL-UHFFFAOYSA-N 401.536 1.189 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](C)N(C)C)CC1 1539461578 HYPZHMOYDALGDC-GOSISDBHSA-N 412.538 1.571 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCCO1 1539496988 JBFRYANFJWKKGQ-HUUCEWRRSA-N 415.585 1.260 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1539557452 ULILTKUAYNPZCG-MGPUTAFESA-N 421.567 1.335 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1539819786 IWOYQVVDAMFVAE-MOPGFXCFSA-N 409.918 1.930 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539849003 SNTCIXWCPKEZTH-IAGOWNOFSA-N 409.556 1.610 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1540020998 YOWKHUFNWDQCTI-HXUWFJFHSA-N 404.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2)CC1 1540862039 PBZNXIYYVHXCOV-UHFFFAOYSA-N 417.558 1.173 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)S[C@H](C)C1 1540862294 XUKYLEACLFBLEQ-ZIAGYGMSSA-N 408.572 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1540902884 SWKKRGDXNFSZTD-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE C[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)COCCO1 1541987881 HLUCDUJKAONGBL-PMACEKPBSA-N 402.499 1.450 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCCO)c(OC)c1 1543231326 RPCGGZRZZPQVDW-INIZCTEOSA-N 406.479 1.989 30 10 HDEE CC[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1545322910 ACCFVNAWAGVSHD-LSDHHAIUSA-N 411.510 1.651 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)C[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1545534306 CZTXTEMTSATRNT-STQMWFEESA-N 418.416 1.759 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)CN(C)C1=O 1548189550 XMECAGHUHJYOLJ-GCJKJVERSA-N 424.505 1.742 30 10 HDEE CNC(=O)[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccn1C 1548369233 OMZKHFPRTGQFGR-QGZVFWFLSA-N 419.407 1.993 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H]1F 1555949845 YYZLZZSYSAUYIL-JLSDUUJJSA-N 401.442 1.938 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)n[nH]2)c1C 1556665441 TZWWIRSUOZJAPT-AWEZNQCLSA-N 418.498 1.691 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccccc3Cl)nc2)CC1 1558073468 UHWJZSDJSAKGAH-UHFFFAOYSA-N 419.894 1.022 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(CC(=O)NC3(C#N)CCC3)CC2)C1 1559973186 GOGZKSNSQGMZFS-OAHLLOKOSA-N 404.511 1.203 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1 1564997291 HLAXJUDJOSQOPS-FXAWDEMLSA-N 405.882 1.674 30 10 HDEE N#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 1565630902 QWHWXBGCYAGJOP-GFCCVEGCSA-N 407.356 1.304 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 1565814898 MSHMQUNFYMUSPO-UHFFFAOYSA-N 402.539 1.681 30 10 HDEE C#CC[C@]1(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)CCCN1C(=O)OC(C)(C)C 1584141822 JVQUXYNPVWCKGU-LJQANCHMSA-N 400.439 1.458 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1587856673 PFOOHDWIVMFGDN-DLBZAZTESA-N 409.556 1.303 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)c(OC)c(OC)c1 1587898552 RQFIAERFTTUMPJ-UHFFFAOYSA-N 413.478 1.658 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588055379 VTLCQCFMFGJIEF-QZTJIDSGSA-N 422.551 1.739 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1588259293 YUNYGPOSSZKULI-UHFFFAOYSA-N 422.533 1.859 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1588314466 FSZQOMNUZPNJCM-HUUCEWRRSA-N 404.515 1.992 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN(C)CC(F)(F)F)CC1 1588849048 WZCPVDZQTBNDMD-UHFFFAOYSA-N 421.471 1.513 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)C(C)C 1589259258 JJRZTTPILAELDB-XGHQBKJUSA-N 403.527 1.766 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1589395062 QKSAJORTQLFBHB-YNEHKIRRSA-N 423.315 1.195 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1593884089 BJWJIPFJDQKZKT-STQMWFEESA-N 421.976 1.305 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1594566166 ALPLKEDUDCATPV-RDTXWAMCSA-N 410.544 1.104 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1595303679 XYAWNUQITWBSAS-SFHVURJKSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1CSC 1595570103 XQMGPBCNBMOKNQ-INIZCTEOSA-N 403.556 1.774 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1595746746 FHWHJCKRGWVQJY-UHFFFAOYSA-N 413.499 1.894 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1595831419 QCDNAWMBJXECDE-KDURUIRLSA-N 410.540 1.422 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595905005 AHKQPAQMLXKEPY-LSDHHAIUSA-N 420.539 1.522 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C(=O)OCC[C@H]3C2)C1 1596279640 LMHSSVSDZGFXCP-HNNXBMFYSA-N 419.279 1.810 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CCOC(C)=O)c1)c1cc[nH]n1 1597836636 GLJPAMSVKABTIC-UHFFFAOYSA-N 402.407 1.438 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1598219444 BLCOXPKBAFFNEA-VQIMIIECSA-N 409.556 1.717 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)N2CCOCC2)CCOC1 1610336972 PJCCXADKOBAUPT-BBTUJRGHSA-N 420.558 1.778 30 10 HDEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1619610023 KXDBQRXCIXVXKO-TZMCWYRMSA-N 402.496 1.003 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1=CCCOC1 1620018302 BZWPRRYWZVHVJI-QFBILLFUSA-N 416.526 1.525 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)C1=O 1620564240 DNQGZEGIZGVIII-XDNAFOTISA-N 416.547 1.857 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(CC)ns3)CC2)c1 1620715985 OXWSLGSVKRWACO-UHFFFAOYSA-N 418.544 1.860 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccn(-c3ccc(Br)cc3)n2)CC1 1622396179 VAMBTEXNUPRVIC-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1622752386 CUTCIALYTNIIOA-KRWDZBQOSA-N 404.511 1.808 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC(C)(C)CN2CCOCC2)cc1 1622886576 KWLPAPONUHUPJP-UHFFFAOYSA-N 410.540 1.725 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)cc1OC 1624057746 NUOBZPVIKAVQBT-QKIRZYONSA-N 423.487 1.462 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cn2)cc1 1624730839 LRQCAKAGHHVNOU-UHFFFAOYSA-N 406.446 1.996 30 10 HDEE Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 1625740826 MMAKNRBKFQWFDL-UHFFFAOYSA-N 402.432 1.712 30 10 HDEE C#CC[C@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(=O)OC 1626188210 TUVXNFNKJDKVTH-LBPRGKRZSA-N 401.469 1.868 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1627412151 CCAPOZVDCYYZPK-MRXNPFEDSA-N 404.488 1.928 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(-c2cnc[nH]2)cc1 1627549811 XMKMXMJYVBVQGX-CQSZACIVSA-N 409.471 1.932 30 10 HDEE C=CCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1627707481 NVOLZTLXMLXEOF-UHFFFAOYSA-N 423.535 1.657 30 10 HDEE C=CCC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CCOCC1 1628811412 MZZBDRMRAWBVQM-INIZCTEOSA-N 410.540 1.669 30 10 HDEE COC(=O)c1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1629484779 CZINTCHYHAJWHH-UHFFFAOYSA-N 413.455 1.492 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cc2n(n1)CCCC2 1631548457 VKKWFYHJLVUQDA-CQSZACIVSA-N 401.492 1.902 30 10 HDEE C=CC1(CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1634252892 ZHUDULXDDBBYIL-UONOGXRCSA-N 411.499 1.372 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)OCc2ccccc2)cc1 1637769947 ASNHXQKDFDAKCQ-UHFFFAOYSA-N 417.487 1.807 30 10 HDEE CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1639840237 KJVLYSTVYAGRLR-LLVKDONJSA-N 412.817 1.528 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1642028240 WQPKSXFQRCXPDG-LJQANCHMSA-N 423.470 1.209 30 10 HDEE N#Cc1cnn2c(O)cc(CN[C@@H]3Cc4ccccc4N(C(=O)C(F)(F)F)C3)nc12 1643753738 ULLPUNPBYGRKJE-CQSZACIVSA-N 416.363 1.916 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCc2c(CC#N)cccc2C1 1644035332 CNCYVHZXNPHISH-UHFFFAOYSA-N 414.487 1.405 30 10 HDEE CC1(C)OC[C@@H]([C@@H]2CN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCO2)O1 1644118025 LQPUULZGLBOCIO-HOTGVXAUSA-N 412.439 1.115 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@H]2OCCNC(=O)[C@H]21 1644268188 UCPDBKUILCXITI-OGWOLHLISA-N 402.520 1.999 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncc(C)[nH]3)CCOCC2)cc1 1647853080 CADVHOPDJPZCLC-UHFFFAOYSA-N 402.476 1.065 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(OC)cc3)C2)cc1 1648130718 YWNXZZFDKVHKCW-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)C(F)(F)F 1653227560 TWGDKZVORNBWPN-CYBMUJFWSA-N 407.414 1.325 30 10 HDEE COc1ccc(CN2CCN(C(=O)CN(C)C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1654148526 CCNZOOAZEQKGHU-HSZRJFAPSA-N 422.529 1.876 30 10 HDEE C#CCN1CCC(NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1664311954 WPXJKRDPBXGPSV-FQEVSTJZSA-N 419.547 1.805 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCC)c(CC)c2)CC1 1664524980 DDVWHPVKNBMTGM-UHFFFAOYSA-N 407.536 1.094 30 10 HDEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2[nH]cnc2Br)CC1 1664822789 HMPAJYPNQPNNSE-UHFFFAOYSA-N 410.297 1.991 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OCC 1665222012 ZYJNBBRPEJCLRT-CYBMUJFWSA-N 405.494 1.275 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)C1 1670318694 NESCFKRNBBDGBF-MRXNPFEDSA-N 414.491 1.497 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ccccc2OC[C@H]2CCCCO2)c(=O)nc1O 1673774356 HUWWEUXCZGVVDC-OAHLLOKOSA-N 413.434 1.590 30 10 HDEE C=CCn1cc2ccc(NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)cc2n1 1674577352 ZMAZOLJQTSEFBS-UHFFFAOYSA-N 409.450 1.922 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1682547357 DPENSURFPJJWQM-APWZRJJASA-N 421.563 1.953 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686036000 MONQSFHGVUPGQS-CAIZAGQASA-N 402.520 1.087 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1 1686634605 XHABYXKPBOOKGE-INIZCTEOSA-N 412.412 1.723 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1689852865 LUNJQOWKCXWYGR-KBPBESRZSA-N 411.528 1.163 30 10 HDEE C#CCCCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1689906348 LOSNLKCKKOMFHV-IYBDPMFKSA-N 416.526 1.789 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1689961253 QOGFTRRCMLHEBH-UHFFFAOYSA-N 421.505 1.613 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689986710 VQLWNFXJPDHOCE-BEFAXECRSA-N 403.508 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1CC1(O)CCOCC1 1690027972 FSQNVKUCBMPHIO-UHFFFAOYSA-N 424.501 1.870 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@@H]1C 1690095126 FOEKZTYICYKIDD-UEXGIBASSA-N 406.527 1.689 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690154000 GSFVZJMNLYYATG-QXAKKESOSA-N 415.538 1.768 30 10 HDEE C=C(Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1)c1ccccc1 1690322530 ICBVRPKFEJPNPG-IBGZPJMESA-N 419.489 1.790 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)N(C)C)CC1 1690384786 BAQZAWUTKIBIBX-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1690731594 NCOCZUUZSOBDNR-SJORKVTESA-N 421.567 1.818 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1690742513 SSBFRLJGOLOBSA-MRXNPFEDSA-N 413.551 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)NC 1705502620 HTUUBGGEPRVAHU-MRXNPFEDSA-N 405.524 1.481 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCCOC 1705553531 RCPNLIRNDKNFLU-UHFFFAOYSA-N 409.494 1.632 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1705664091 JWRQCNVLDNIFNT-UHFFFAOYSA-N 418.567 1.072 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708195 ZHAKTKJVALXYQB-MMOPVJDHSA-N 419.526 1.236 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705821538 ADVOARZGNZTRPK-INIZCTEOSA-N 400.527 1.862 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1705861592 JRJOEGLNLYKVHM-MRXNPFEDSA-N 403.508 1.466 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705948541 WSCSJJSLWRVDHY-MRXNPFEDSA-N 424.596 1.682 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1712323539 QUMMMGANBLKQNX-HXUWFJFHSA-N 416.482 1.533 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722365204 CVWHGKLCRMSIOB-KRWDZBQOSA-N 402.520 1.719 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1722371330 VSBJIIMQZAPIQI-UHFFFAOYSA-N 422.880 1.111 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1722647435 VATGTGXVCFLTGF-YPMHNXCESA-N 405.471 1.467 30 10 HDEE Cc1nnc(N2CC[C@@H](CN3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726378219 CUPJHMZLEODBRQ-SKQREZPOSA-N 413.526 1.425 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1740561274 ZUXTXIKMMNTPIZ-AEFFLSMTSA-N 408.506 1.900 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1740609184 LUKJQFGFOAWZJX-MRXNPFEDSA-N 419.489 1.176 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1740722085 DFUKZWBAQVZAKP-LQWHRVPQSA-N 419.595 1.970 30 10 HDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(C)(=O)=O)CC1 1740820105 QUINLYXERRHOGI-UHFFFAOYSA-N 406.468 1.559 30 10 HDEE CCN(C1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1746010452 SMFOBAXKAHZMRI-UHFFFAOYSA-N 418.523 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1748642326 NGLPFVJLNALWSH-AOMKIAJQSA-N 411.506 1.924 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1748766572 RXEYTSYHKJIVSJ-ZFWWWQNUSA-N 410.569 1.322 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748788012 LHJIGBYPCGWXOF-SQNIBIBYSA-N 421.567 1.793 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1748908436 YFQWMRXVROQKKQ-FQEVSTJZSA-N 414.514 1.223 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1749120097 AEMLJOFMNHTVSI-CRAIPNDOSA-N 412.450 1.771 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1749352199 GTVIDNWOCAXAOM-MRXNPFEDSA-N 420.558 1.750 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCOCC2)C1 1750379953 YMPZYFZTNHGDQK-OAQYLSRUSA-N 413.501 1.818 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)n1 1751835801 JIZIQUWDCIGQEY-LJQANCHMSA-N 418.505 1.926 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752160745 DRVIAQBOVUHGJD-SJTPKYKMSA-N 414.510 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760098054 NUBMIEVZDKRTDO-LSDHHAIUSA-N 420.539 1.577 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1760174387 LEVOTBSJUMLMSG-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760189731 VXYHDSIMZCCWCO-KGLIPLIRSA-N 420.457 1.750 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1760202228 WSDBKZPUPSSTNC-HXUWFJFHSA-N 413.485 1.595 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCSC2)CC1 1760256221 GJXBDJWTDKHYTR-PXNSSMCTSA-N 405.568 1.439 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1760262431 ODKYZQNIXWYJHD-GDLZYMKVSA-N 414.579 1.566 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCC[C@@H]2C)CC1 1760269207 BJIBYYBEILQDCJ-PKOBYXMFSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760279403 BYFCUKGKOBWGNH-SJORKVTESA-N 410.547 1.977 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H]1CCOC1 1760280588 RSJHPDZCLNRGEH-HNNXBMFYSA-N 424.530 1.784 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1760295036 MFLUTMMHVQKCIW-FXAWDEMLSA-N 416.551 1.837 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1760464659 MDAZBOUODBNHDP-SJORKVTESA-N 411.572 1.159 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1n[nH]c(C)n1 1760504418 PFUNJRMFKZCZPX-UHFFFAOYSA-N 411.466 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CCOCC2)CC1 1760523419 XOYQHZBNXVKZON-UHFFFAOYSA-N 413.526 1.124 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760541062 UKKPKIPMWXSLCE-ZBFHGGJFSA-N 411.466 1.110 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C)C1 1760551142 VAWGLNOJGDFVNI-AWEZNQCLSA-N 421.479 1.679 30 10 HDEE CCC[C@H]1CN(c2nnc(COCC)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763983354 UQFHAFLAIZBKOW-IJYGLTAASA-N 418.498 1.346 30 10 HDEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1768615136 ADPRZDLZHYQYCM-UHFFFAOYSA-N 417.413 1.772 30 10 HDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1769776046 SBGAZIBVUZGIKQ-KDURUIRLSA-N 412.494 1.347 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1770726824 AIHOKBXKWWFQJN-UZLBHIALSA-N 420.489 1.504 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1771223152 RBJPYQGTQIOTCN-DLUQJKKWSA-N 419.526 1.672 30 10 HDEE Cc1c([C@@H]2[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC(=O)N2C2CC2)cnn1C 1772792006 IZTHGYQMYJVRCW-YJBOKZPZSA-N 408.414 1.535 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)cc1 1772792760 NGVWJIRCDDVTEA-OAQYLSRUSA-N 407.382 1.516 30 10 HDEE N#Cc1ncccc1OC1CN(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1849368005 XVPDWZKUKBEKJL-UHFFFAOYSA-N 410.455 1.240 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)Cn3cnc4ncccc4c3=O)CC2)c1 1849383276 ZKJNSXLZVZLTRT-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE COc1ccc(OCC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c(OC)n1 1849786119 SWJSCCUOLUEVRU-UHFFFAOYSA-N 416.478 1.478 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)c1 1849882326 PXNOHEVQDNAFFF-UHFFFAOYSA-N 418.457 1.766 30 10 HDEE C=CCN1C[C@@H](C(=O)NCC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)CC1=O 1850570470 IESKYDKCOZBYAJ-IBGZPJMESA-N 412.534 1.756 30 10 HDEE N#Cc1cccc(C(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1851589966 LTWDNWQQIXBBHB-AEFFLSMTSA-N 407.401 1.866 30 10 HDEE CC1=CC(C)=NS(=O)(=O)N1CC(=O)N=C1C[C@@H](C)N(c2ccc(Cl)cn2)N1 1852008109 DDYGSWZAUAUNKR-GFCCVEGCSA-N 410.887 1.688 30 10 HDEE Cc1ccccc1-c1noc(CCC(=O)N2CCN(c3nccc(C#N)n3)CC2)n1 1852481605 IKOVSNWMFBFJAK-UHFFFAOYSA-N 403.446 1.988 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)C[C@@H]2OC(=O)c3ccccc32)CC1 1852622745 HMAPZXFFDUWYMF-IBGZPJMESA-N 406.442 1.920 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(S(=O)(=O)c2cnc[nH]2)CC1 1852664950 SDQIWICNYJGBNE-UHFFFAOYSA-N 424.914 1.431 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(C)C(=S)N=CN(C)C)C2)cc1 1853156613 WIGUAZSBCHMWIH-OAHLLOKOSA-N 410.565 1.729 30 10 HDEE N#Cc1cc2c(cc1CC(=O)NCC(=O)N1CCN(c3ccccc3)CC1)OCO2 1853228821 UOXJJUWVJNIRLQ-UHFFFAOYSA-N 406.442 1.294 30 10 HDEE Cn1c(=O)n(CC(=O)NCC2CCN(c3ncccc3C#N)CC2)c2ccccc21 1853306249 FKEWQSGZSMKOJC-UHFFFAOYSA-N 404.474 1.639 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccnc3O[C@H]3CCOC3)C2)CC1 1853680408 GOODCEYRTNFNFK-ROUUACIJSA-N 412.490 1.864 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853790141 UYZWMZPBJORQMJ-GOSISDBHSA-N 417.531 1.770 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)COc3ccc(-n4cnnn4)cc3)C2)CC1 1855065438 RBNCVHDQZYUOIX-KRWDZBQOSA-N 410.478 1.314 30 10 HDEE Cc1cnc(C(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 1855448275 RFBYUWPRNIZMII-FQEVSTJZSA-N 405.458 1.941 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@@H](N2CCC(C#N)CC2)C1=O 1855606469 RQLQSKGVJUDVMF-QGZVFWFLSA-N 403.504 1.847 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3C[C@@H](CN(C)CCC#N)CC3=O)CC2=O)cc1 1855704924 MGRLBTBLOJSRFH-SJORKVTESA-N 412.490 1.659 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)C1 1855707531 YSKFYOLABZNSCI-KRWDZBQOSA-N 410.449 1.870 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3ccccc3)C2)CC1 1855872591 HHASIHUKRJSYEX-IBGZPJMESA-N 403.486 1.693 30 10 HDEE Cc1cc(CC(=O)N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1855961656 RLXUTMNJPLGTLN-GOSISDBHSA-N 408.462 1.132 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1856725051 FNPGDXVJTCZSGW-UXHICEINSA-N 408.502 1.727 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1856867072 TUMHWTNOBSTVFR-ZWKOTPCHSA-N 401.507 1.784 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857079903 IDRKEQIGUUHAMY-CQSZACIVSA-N 415.446 1.900 30 10 HDEE Cc1nc2ccccc2c(=O)n1CC1CCN([C@H]2CCN(C(=O)CC#N)C2=O)CC1 1857146658 QPDAPSMTNSSVTB-IBGZPJMESA-N 407.474 1.458 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1857490996 XIJHYGOLUCZAOP-GOSISDBHSA-N 405.520 1.720 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)C1 1891916437 DDVXWXPPPFVBJG-CABCVRRESA-N 401.467 1.975 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2090623170 DZHGNZQGEWOBRR-QGZVFWFLSA-N 423.491 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NS(=O)(=O)N2CC(C#N)C2)C(C)(C)C1 2132827987 UJOIAHJQCBPWAF-VWLOTQADSA-N 406.530 1.184 30 10 HDEE CC1(C)OB(C2=CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)OC1(C)C 2148819034 TZXIWGPZYHOGNH-UHFFFAOYSA-N 405.347 1.157 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)sc1C(=O)O 2162597264 BOTJXVOYCVMOHN-NSHDSACASA-N 415.493 1.888 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 2174780534 VTEBSTVVKDUCLH-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174784276 MFYYZGAUEOPBIE-CSSVYLATSA-N 420.557 1.478 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]1COC2 2204518509 XRCOLTIMFXKYHZ-JYJNAYRXSA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@@H](N)C#Cc1ccccc1Br 2220260568 UKZJFQGGPZAZEF-HDMKZQKVSA-N 411.296 1.783 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)C[C@H]2[C@@H]1CO 2235549543 LLVGRCMEGHUIBO-YUTCNCBUSA-N 413.521 1.468 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826094 NVSFXSBSPWTLRP-CYBMUJFWSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247826853 APBCJXZRVPCXLU-MPBGBICISA-N 418.303 1.448 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CNC(=O)OC(C)(C)C 2247910090 INYLYHQQOKPGLC-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258182810 IMHVYBVYLMUOMC-DLBZAZTESA-N 410.492 1.825 30 10 HDEE Cn1nc(C(=O)N2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267499576 VXCHJSYUJSSKAQ-UHFFFAOYSA-N 411.695 1.352 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716110 IDDICTDKPGBXTR-BUBHHJDNSA-N 407.388 1.435 30 10 HDEE C#C[C@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270513479 GFAWHLSAQNQBNW-QZTJIDSGSA-N 422.503 1.518 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270516905 NCSPYBGEGNWQRI-SFHVURJKSA-N 422.503 1.662 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)nc1)NC(=O)OCc1ccccc1 2270518065 BKBDXYYLLZTXFK-MRXNPFEDSA-N 418.431 1.163 30 10 HDEE CON1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282305600 AWHFHHJOVAENGR-SNVBAGLBSA-N 422.765 1.615 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H]1CCNC1 2282309136 AKJGBMGMDRSVQJ-ZDUSSCGKSA-N 400.375 1.634 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1C 2282328791 CSNZAQASEFZYKD-OCCSQVGLSA-N 400.375 1.808 30 10 HDEE CC1(C)[C@@H](O)C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329322 LAKSVVRDCLNCES-NEPJUHHUSA-N 401.359 1.733 30 10 HDEE CC1(C)CCN[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339391 XWFQZSHITZPEHS-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CC[C@@H](CO)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282353907 ZKAZNKSOWTURNK-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCCOC2)OC1(C)C 2282499329 BYZPRHQESJFBDA-GFCCVEGCSA-N 402.347 1.288 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511706 OEQMZRDIVKHSTH-RUZDIDTESA-N 421.777 1.686 30 10 HDEE Cc1c(C(=O)NC[C@@H](C)CC2(C)OCCO2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591097 LMLUBSGZBDMELB-ZDUSSCGKSA-N 407.320 1.547 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@@](C)=O 2282828146 JKMLWSNVWQZPDA-JPQMIFPKSA-N 421.777 1.685 30 10 HDEE C[C@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846871 QDPDTFDSWPIGNJ-JKOKRWQUSA-N 401.721 1.687 30 10 HDEE CC1(C)C[C@@H](CO)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282882835 RKEYVQWNKRCVGS-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CN(C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C1CCC2(CC1)OCCO2 2283072378 OYLGKBOFODPHAY-UHFFFAOYSA-N 403.288 1.534 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H]3CC(=O)O)c2)OC1(C)C 2284396958 ZWKPBWCXRZPCGP-GFCCVEGCSA-N 401.315 1.675 30 10 HDEE C[C@H]1C[C@@H](C(=O)O)N1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284397520 MRIQYLFGMFENBQ-WPRPVWTQSA-N 421.733 1.937 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccco1 2296940665 VZRPVMWHCJBGIM-MRXNPFEDSA-N 402.359 1.618 30 10 HDEE CC(C)(C#C[C@@H](NN)c1ccc(F)cc1I)S(C)(=O)=O 2365195408 BGSLMLHIEXVSBI-GFCCVEGCSA-N 410.252 1.761 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCCCNC(=O)OC(C)(C)C 2365206194 GDOAYLJRKDBWPG-BEFAXECRSA-N 404.573 1.847 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC[C@H]1NC(=O)OC(C)(C)C 2367807019 PGBOYROYFZGRCZ-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1(NC(=O)OC(C)(C)C)CC1 2367816477 JXBHZEWIUZCQRH-GJZGRUSLSA-N 400.541 1.353 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367818258 MIKGLCOLRPHDBK-DNVCBOLYSA-N 400.541 1.307 30 10 HDEE C=CCN1C(=O)/C(=C\c2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 2283411 ILPXZKUFWOEVDL-JLHYYAGUSA-N 402.501 1.794 30 10 HDEE CCN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 5427622 MPVOHJVHQUTGHB-UHFFFAOYSA-N 415.471 1.428 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 16237101 HIOMLRMNKNVABW-UHFFFAOYSA-N 401.492 1.948 30 10 HDEE CC(=O)NCCN/C=C1/C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 20575648 PGSZLJGAODUENK-WJDWOHSUSA-N 405.501 1.848 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](c1ccco1)N1CCOCC1 38630611 MTPXHURDNVHAMZ-MRXNPFEDSA-N 402.838 1.933 30 10 HDEE COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 254579036 LXFLCLLTFCKKFB-RYUDHWBXSA-N 408.423 1.953 30 10 HDEE COc1cccc(Cn2[nH]c(C)c3c(NC(=O)[C@@H](C)n4cnc(C#N)n4)nnc2-3)c1 409677885 DKJGZDTUDTWXCJ-GFCCVEGCSA-N 405.422 1.739 30 10 HDEE COC(=O)[C@@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 409687684 PCOIBPUGKUYYTR-CJNGLKHVSA-N 410.434 1.517 30 10 HDEE C[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CCN1CCO 428144360 ZXQFRVFUXRBDRX-HNNXBMFYSA-N 412.450 1.511 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1=O 439523543 OUZXDKOPLACKHS-FUHWJXTLSA-N 421.519 1.890 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 460387870 MQVSASFCBRYDNN-GOEBONIOSA-N 409.512 1.978 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460547271 RIMLSQPEKRQMBX-UHFFFAOYSA-N 405.528 1.259 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 460778780 AKANTHWHUIYJCU-UHFFFAOYSA-N 413.463 1.289 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 460945763 LWYPPYUMCSMQPH-QGZVFWFLSA-N 410.526 1.985 30 10 HDEE Cc1noc(C2CCC(NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)CC2)n1 472081856 CXBYKEDYPWJIBO-UHFFFAOYSA-N 412.498 1.850 30 10 HDEE C=CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@H](Cc1ccccc1)C(=O)OCC 474220051 UNFOJVIPBKFVHV-GOSISDBHSA-N 423.473 1.319 30 10 HDEE N#Cc1ccnc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 477318112 XIDCCTXXYMVNCF-UHFFFAOYSA-N 400.460 1.045 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 479927791 ICSYRJYBVNEJQU-CABCVRRESA-N 424.486 1.683 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 486504323 LYTUDHVUUYYLDN-FDYHWXHSSA-N 411.336 1.537 30 10 HDEE COc1ccc(OC)c([C@@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 500470061 TUBZYXGDRPTQDG-CYBMUJFWSA-N 403.460 1.731 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 501986219 SJDZGRHLQVUYSK-UHFFFAOYSA-N 403.485 1.324 30 10 HDEE C=C(C)COCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 508284514 FHTVYRIMBKWIDB-SFHVURJKSA-N 418.542 1.144 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 508507722 IZRJGCMMTYLVCY-CVEARBPZSA-N 416.551 1.613 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508931664 QARPOXRXPFYPDL-INIZCTEOSA-N 410.457 1.726 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)ccc1F 513453448 WDHNLCIPLZPVGI-MRXNPFEDSA-N 415.512 1.712 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)c2OC)c1=O 522109686 MZRVQHZOHVVHRJ-UHFFFAOYSA-N 410.495 1.985 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)cc2)c1N 542431578 JLCHXWDDMCHJEY-SFHVURJKSA-N 401.430 1.647 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2C(F)(F)F)CC1 549485126 KLJUWIYKIAKDOO-UHFFFAOYSA-N 400.357 1.674 30 10 HDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCCN(CCOC)C(=O)C1 564384333 MVSGCRIOZJGODA-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Nc2ncccc2OCCCC#N)C1=O 615555376 CIFGSMXVEILQGM-BFUOFWGJSA-N 400.439 1.606 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 619741840 RLLKADPKEALBAM-OAHLLOKOSA-N 411.422 1.512 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccnn1Cc1cccc(Br)c1 679531361 XCNTVKDDCXXTIP-UHFFFAOYSA-N 407.268 1.951 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)[C@@H]1CCS(=O)(=O)C1 729332682 USYHHXGSJDDWDF-QZTJIDSGSA-N 410.495 1.842 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)[C@H]1CCS(=O)(=O)C1 729332683 USYHHXGSJDDWDF-ROUUACIJSA-N 410.495 1.842 30 10 HDEE C[C@@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664571 LMYDYLINOQXGNE-ZYHUDNBSSA-N 411.325 1.828 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ccc(/C=C\C(=O)OC)cc2[N+](=O)[O-])CC1 733895986 UDUGMBHRZUEYSW-VURMDHGXSA-N 400.435 1.043 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COC)cc2)c1=O 742144051 RHVXOUULIAXXCI-UHFFFAOYSA-N 412.511 1.575 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCN1CCN(Cc2ccccc2)CC1 742177092 WJBOILQTJUOEKN-UHFFFAOYSA-N 413.547 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 746265774 AVONIAUJRSPDAC-QRVBRYPASA-N 414.506 1.593 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCCC1 747657557 PDCHUCCPPBWAKZ-UHFFFAOYSA-N 400.498 1.786 30 10 HDEE COC(=O)c1cc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)o1 767629550 VSNMULQFEQXOTH-NSHDSACASA-N 406.416 1.657 30 10 HDEE C#CCN(C(=O)NCC1(c2ccc(OC)cc2)CCOCC1)[C@H]1CCS(=O)(=O)C1 774195794 NCPHRWZWKXZWNS-SFHVURJKSA-N 420.531 1.575 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(CCC)[C@@H]2CCCc3cccnc32)c1=O 774609527 ILAMMKIPFFBCNF-GOSISDBHSA-N 411.506 1.686 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 783002564 IMIVWNNZENOFJW-CQSZACIVSA-N 401.479 1.829 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCNC(=O)c2n[nH]c3ccccc23)n1 790104800 WYORJOOYPONAED-UHFFFAOYSA-N 408.462 1.188 30 10 HDEE CCCn1c(=C(C#N)C#N)sc(=Cc2cnc(-c3ccccc3OC)nc2)c1=O 793467023 HMMBQDTYLSIRIW-UHFFFAOYSA-N 403.467 1.812 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)OCC(=O)NC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796424082 KDEYRWZEUJEXJA-PBHICJAKSA-N 401.467 1.214 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)CC3)C2=O)n(C)n1 799364134 ZVROIBGLPZVKPA-HXUWFJFHSA-N 420.517 1.862 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 807465261 AIFMITHFRCYELI-LJQANCHMSA-N 407.536 1.315 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 810382562 QGGZFMCPYUXQLH-NIANNCQZSA-N 406.361 1.085 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 816695014 SSTSEIAPKXXYEJ-GFCCVEGCSA-N 416.356 1.936 30 10 HDEE CN(CC(=O)NC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 916693153 LMAGWJYZGMMMNL-CJLVFECKSA-N 423.539 1.878 30 10 HDEE C=CCCO[C@@H](C)C(=O)N1CCC(=O)NCCN(c2nc(C3CCC3)ns2)CC1 952879500 IYFGTLZPTLDRAO-HNNXBMFYSA-N 421.567 1.942 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cnn(CCC#N)c3C)CC2)cc1 1124664302 QEMBJWRJOARYFL-UHFFFAOYSA-N 415.519 1.997 30 10 HDEE CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCOCC1 1126703561 CKVZGTDJBUDSJJ-WMLDXEAASA-N 418.881 1.318 30 10 HDEE N#Cc1cccc2c1CCCN2C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1130768682 VBSFGBHXXCJDAX-CQSZACIVSA-N 400.460 1.003 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCN(C)CC1 1134262785 QYLUGUGJBFHQNI-UHFFFAOYSA-N 403.548 1.643 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@@](C)=O)CC1 1136900232 TZNQMVBPRATXHM-RMKBEBRYSA-N 407.964 1.545 30 10 HDEE CN1CCCC[C@@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1=O 1141569964 WJOZOGMBJWNQLX-INIZCTEOSA-N 412.469 1.773 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1153320097 VPWWGYBDFOFTFB-LBPRGKRZSA-N 405.314 1.756 30 10 HDEE COC(=O)[C@H](CC(C)(C)C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1163077341 FUTYYRCYSGROIL-JSGCOSHPSA-N 409.508 1.598 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)CC1 1175515005 NJIHFNHICSGAMO-QINSGFPZSA-N 419.400 1.628 30 10 HDEE CCS(=O)(=O)NC1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 1176808249 HFUXDQHFTFPRHZ-INIZCTEOSA-N 422.551 1.734 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2c([N+](=O)[O-])cnc3ccc(Cl)cc23)CC1 1187438656 XVGUCEAUZMNCFE-UHFFFAOYSA-N 409.855 1.386 30 10 HDEE COC(=O)[C@]1(N2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CCOC1 1196275863 QRDYLKPKCZGLCV-UGKGYDQZSA-N 412.490 1.003 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1213984074 JTRRMBNMTWYQNQ-LBPRGKRZSA-N 410.439 1.704 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 1251994660 DAWVDURSUPBAEQ-UHFFFAOYSA-N 420.491 1.168 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CS(=O)(=O)Cc2ccccc21 1280311138 RVFBWTIBYDAQOI-IBGZPJMESA-N 423.498 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1286303305 BGGVUEBYLDPJDK-HNNXBMFYSA-N 418.519 1.901 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)CC 1286404849 VFJNOIZITKLDBU-UHFFFAOYSA-N 422.514 1.843 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C 1286466642 LDSWYRAAKOHCOP-SFHVURJKSA-N 415.513 1.815 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@](C)(O)CCOC)CC1 1286472721 DGPQFTXZGPBQAT-JOCHJYFZSA-N 413.522 1.496 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286611126 HLIAJGFOWJUMON-GOSISDBHSA-N 413.526 1.170 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1286683185 LHRFHGOUISBPNQ-IRXDYDNUSA-N 410.588 1.919 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286731381 KMZQZGQDYWBENU-KFWWJZLASA-N 404.515 1.950 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286824769 ILJOHQSWBNDKHQ-HOTGVXAUSA-N 409.556 1.673 30 10 HDEE C#CCO[C@H](C)C(=O)NCC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1290859419 WZSJSXFYACDFLD-AZQPHWPRSA-N 402.535 1.829 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 1292879415 AGUFWCYHYCPUME-KRWDZBQOSA-N 408.543 1.352 30 10 HDEE C=CC1(CC(=O)N2CC[C@@H](n3cc(C(=O)OC)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1296091367 WBGDZQXFOQANFE-CQSZACIVSA-N 419.482 1.651 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1cccc(F)c1 1298573366 LLJJQYGGSFLTPI-MRXNPFEDSA-N 419.478 1.364 30 10 HDEE COC1(C)CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1299784165 GQIAUNHWNRUHPW-WUKNDPDISA-N 402.499 1.618 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(C(=O)NCC)CCC1 1300267696 ITNKBMUCQDMFHW-HNNXBMFYSA-N 402.543 1.961 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1300802299 MBJXPNZYWKXWDI-QFBILLFUSA-N 407.540 1.547 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1300855281 DQLMRNPZCXSXNL-SVMVAKDDSA-N 424.505 1.570 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CC1 1301079478 GZJFPLCFCBYNKV-QGZVFWFLSA-N 412.469 1.955 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1301262012 OEQKLMZWQMSJIH-UHFFFAOYSA-N 402.890 1.977 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(C(N)=O)CCOCC1 1301270331 GWCRNXFEDLUCNF-UHFFFAOYSA-N 423.315 1.940 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3CCOC[C@@H]3C2)cc1 1301528662 FLQVXLNWCKMPBD-IBGZPJMESA-N 413.522 1.949 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1301546550 TVNDHGVIMZCZJC-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC2CC2)CC1 1301589906 ZUANAJXSWVLMIJ-SFHVURJKSA-N 423.583 1.653 30 10 HDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1303009166 GGHOAWTWFHUXDO-OTWHNJEPSA-N 413.478 1.168 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCS1 1305147284 BMKNLNZIZOVPKX-ZDUSSCGKSA-N 406.537 1.308 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nncn1CC 1305753958 BGXCUILNMXVZSL-SFHVURJKSA-N 403.466 1.298 30 10 HDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1313091686 XTTQSPFZFYRDPI-HXUWFJFHSA-N 412.534 1.850 30 10 HDEE COc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(C)=O)c1 1315562156 CLNORFIRHCYSBP-LJQANCHMSA-N 423.521 1.656 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21 1352234491 FIIOHTLTIVNGFJ-ZDUSSCGKSA-N 401.448 1.018 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1358949107 SPDWXXVHERPIHF-IFXJQAMLSA-N 420.560 1.799 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1358956436 FXBOLLDIFYCIFI-CABCVRRESA-N 416.931 1.381 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCc1n[nH]c(C)n1 1358973733 DASLBYBIDLBKSN-UHFFFAOYSA-N 405.462 1.704 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(N2CCOCC2)CC1 1358975263 JSBFCZGPAJBPKZ-UHFFFAOYSA-N 405.502 1.891 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncccc1N(C)C 1359018711 ZRFAKYMGBYEWGP-UHFFFAOYSA-N 411.510 1.109 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCCN1CCC[C@H]1CO 1359068481 CFKSWIHHUKILSG-PGRDOPGGSA-N 409.538 1.964 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1(c2ccccc2)CC1 1359299227 ZALUVGXIHVWAGI-QGZVFWFLSA-N 408.506 1.699 30 10 HDEE CCOC(=O)C(NC(=O)c1cccc(CNc2ncccc2C#N)c1)C(=O)OCC 1441028192 FEOFYZCATKEFBY-UHFFFAOYSA-N 410.430 1.790 30 10 HDEE Cc1ccc(C(=O)NCC2(CS(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1445365750 KDYAWDYMYHDGGN-UHFFFAOYSA-N 407.341 1.849 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 1449060097 JVXXQWXONKGHGG-XLIONFOSSA-N 418.335 1.620 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)cc1 1449783824 KRHRXCISQUVGEJ-UHFFFAOYSA-N 402.451 1.095 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1450527495 OTBZRBJDAJHLDH-RDJZCZTQSA-N 401.463 1.579 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1453839497 LGEWYPXHUDZPKQ-MRXNPFEDSA-N 403.504 1.127 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1455076237 CVFVSRKIERKLHT-SFHVURJKSA-N 408.462 1.335 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1cc(C#N)ccn1 1459113355 RVBXFRMFEQEGSF-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 1462376985 IXUXDSBGGOQOTK-KRWDZBQOSA-N 407.561 1.777 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc1 1463163203 MJVCAXIWUUSOMY-ORAYPTAESA-N 420.491 1.368 30 10 HDEE CCOC(=O)C(C)(C)ONC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1469541789 VFRGAXXNZGFKHZ-CQSZACIVSA-N 402.407 1.153 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)cc1 1471141358 DMTSBKDACSNRNX-UHFFFAOYSA-N 413.503 1.359 30 10 HDEE CC1(N2CCC2)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1471520878 BKOWANZDYAEOKF-GOSISDBHSA-N 409.490 1.850 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1490870010 MSQWMTAZBDXINO-DFBDCSAJSA-N 403.523 1.794 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1502727826 CYCQUPHTAMWLAM-FOIQADDNSA-N 419.432 1.985 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CC[C@](F)(C#N)C1 1503284570 VCOISSBUHJAAFH-INIZCTEOSA-N 412.516 1.312 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1505117137 ULFNFERPGDPQCH-UWJYYQICSA-N 410.478 1.432 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507631898 GYJJZIIKHDNRDL-LSDHHAIUSA-N 421.548 1.222 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1507652716 KWFJWHRGEKIWJU-RBSBEOHCSA-N 409.515 1.229 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1507654253 CAYRJMMNISZNNL-INIZCTEOSA-N 413.503 1.148 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ncn(-c2ccccc2)n1 1507664740 FSZDZIGGGHXEJR-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1507728958 CDOCMNDTAYOIKE-UHFFFAOYSA-N 419.432 1.974 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1507841145 WQBBPTPWAMUCOV-UHFFFAOYSA-N 419.551 1.928 30 10 HDEE C=CCCCCCN(C)c1nnc(-c2cnccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1507929547 RSOZXLKNBOEFMH-LJQANCHMSA-N 420.539 1.467 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCCO[C@@H](C)C1 1508093723 VQIHTIJDVLRIGP-MAUKXSAKSA-N 413.478 1.708 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncccc2N(C)C)cs1 1511544603 AROVAARENVAEEV-MRXNPFEDSA-N 424.534 1.872 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)on1 1511961322 FGAUCWLGRKYBSH-OAHLLOKOSA-N 421.461 1.740 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2([S@@](C)=O)CCC2)CCOC1 1516127596 BDJACAYIMWXDIO-TXVWTZBPSA-N 409.556 1.827 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CC1 1519161962 NBXCNNQUPXZNII-UHFFFAOYSA-N 423.315 1.937 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)C1 1521069247 GSNKRMIGHYCPRA-FZKQIMNGSA-N 420.470 1.127 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCO[C@](C)(C#N)C3)nn2)C1 1536619947 VQQLARHYNHCLDM-AUUYWEPGSA-N 404.471 1.605 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1539179098 NEMYIPNYWZAMMN-INIZCTEOSA-N 419.576 1.369 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCOC[C@@H]2CCCO2)CC1 1539466756 FVTKRAAVJLEMHI-IBGZPJMESA-N 417.554 1.953 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)C(=O)NCC)CC1 1539476735 DKLHYBKDGDLREB-UHFFFAOYSA-N 400.527 1.284 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1539498772 WPNRMYHDWZCHFH-HNNXBMFYSA-N 423.539 1.447 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC(C)C 1539542359 XTRNVSUXPUAQFC-NHCUHLMSSA-N 403.527 1.837 30 10 HDEE C=C1CCN(c2nnc(CC3CC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539854170 MPUCSEUJVQIQRA-UHFFFAOYSA-N 406.512 1.495 30 10 HDEE C=CCCOCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1540041580 APHQTXPZQJNYME-UHFFFAOYSA-N 404.559 1.569 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1540857465 ZHIZKTPUTSMNPI-INIZCTEOSA-N 400.458 1.890 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1540859247 OBXNTBONJSAGNO-UHFFFAOYSA-N 410.482 1.302 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2)C1 1540905987 XXRDBMZYPGTYEL-ROUUACIJSA-N 423.583 1.447 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 1542973688 WAXWNEKFWOYIMW-UHFFFAOYSA-N 404.515 1.840 30 10 HDEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1555255550 GXWKLPFNCPQHBL-NJAFHUGGSA-N 404.515 1.010 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@]1(C)COCCO1 1555558768 CZEABQVPFQPREI-HXUWFJFHSA-N 400.483 1.436 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 1557095410 KTXXSWXFCAIBNM-QWHCGFSZSA-N 417.890 1.303 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(CO)CCc3ccccc32)cc1 1557332324 PVNGXJYMAWIACG-NRFANRHFSA-N 400.500 1.757 30 10 HDEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1561562538 BLNUIILDYZUNAP-UHFFFAOYSA-N 400.840 1.594 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)CC1 1565589913 DWAJABFKKFUMMU-UHFFFAOYSA-N 423.492 1.397 30 10 HDEE C=CCn1cc(CNC(=O)Cn2cnc3ccc(Br)cc3c2=O)nn1 1585555470 LFZICMWZVCFSAR-UHFFFAOYSA-N 403.240 1.253 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C(=O)OC)c2ccccc2)s1 1586403695 YNROZNYRRBMGGZ-INIZCTEOSA-N 422.528 1.828 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1587023097 VTCRUVTYCUCDMO-YFJRRSFWSA-N 416.522 1.899 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1587160758 FYMOTPUCIROUHZ-XGHQBKJUSA-N 403.479 1.385 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587723397 GYLIGNGXCXSEMK-RDJZCZTQSA-N 406.527 1.104 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc([N+](=O)[O-])c1 1587956486 RAEZTSOJHWNITB-UHFFFAOYSA-N 414.443 1.832 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1588083475 NEGIJLYEGBJWDL-GFCCVEGCSA-N 411.455 1.862 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(CC(C)C)CCO1 1588433963 UOXNZBAFRZQXAU-HXUWFJFHSA-N 413.570 1.956 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCc2nn(C)c(=O)cc2C1 1589028105 YLZLBGVQEKYQIP-UHFFFAOYSA-N 410.503 1.869 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1589578968 JDSQLROREJNWNO-MRXNPFEDSA-N 424.571 1.341 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCC(O)CC1 1594992301 FXQIHRDWCPQCFZ-UHFFFAOYSA-N 418.567 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCCC[C@H]2C1 1595506722 KMRJVLUSTDSEHG-SFHVURJKSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595556285 QPZQIHOLNVNOPD-GOSISDBHSA-N 423.496 1.487 30 10 HDEE CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#CCO)c1 1597020073 NAJVGIUMZDSRHI-UHFFFAOYSA-N 401.488 1.965 30 10 HDEE CCO[C@@H]1C[C@@H](N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1616535434 ZCJNXXKWERUQEI-NGITZIGVSA-N 402.499 1.753 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1617657795 RLJOOOKNEOGPMU-QGZVFWFLSA-N 413.861 1.642 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)cc1 1619233903 CQLJAIIZJMLCAP-FQEVSTJZSA-N 400.458 1.602 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@]1(C)CN(C2CC2)C1=O 1619911045 FCHLIMZOOVGMAT-NRFANRHFSA-N 411.510 1.661 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1620152820 KJGLZDXCGJWOAH-KRWDZBQOSA-N 412.475 1.866 30 10 HDEE C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1620611094 KRYNLQQKFCFKGH-RLFDGXBXSA-N 408.480 1.633 30 10 HDEE COC(=O)C1(C2(O)CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CCC1 1620648103 LWCIMYGMBKSRNG-UHFFFAOYSA-N 406.504 1.502 30 10 HDEE CNC(=O)[C@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1622935692 GLBUPZXLDUDILF-FMPZLKCCSA-N 404.511 1.900 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)cn1 1624069379 JDEJIPUZVHPETK-QGZVFWFLSA-N 404.430 1.981 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1625082881 VSKZKCYHZMMDPI-VHSXEESVSA-N 407.901 1.051 30 10 HDEE C#CCCOc1ccc(C(=O)N2[C@@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1 1625964010 JDEUTUORZGKTFX-PBHICJAKSA-N 404.488 1.672 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@@H](C(=O)C4CC4)C3)C2)C1 1626709607 QSKQFZZIPRLINF-QOQLHOOGSA-N 417.506 1.980 30 10 HDEE CCS(=O)(=O)NC1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1629999874 LYQPFCBXEJVMTR-HNNXBMFYSA-N 416.544 1.504 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1 1632820662 ZCJPQEHCVRDJPB-UHFFFAOYSA-N 402.495 1.385 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCCN(c4ccccc4)C3)C2)c(=O)nc1O 1634927708 OYHYZHSMQITOQS-HNNXBMFYSA-N 408.462 1.303 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3CN(C)CCN(C)C3)c(C#N)c2N)cc1 1634947781 YLFUIKYQRMZZFV-UHFFFAOYSA-N 409.538 1.177 30 10 HDEE N#C[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1635475342 FOTHVQGNZOPQNN-AWEZNQCLSA-N 424.276 1.864 30 10 HDEE Cc1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cc1S(=O)(=O)NCC#N 1635575798 LXJWYAJEZIQIIY-UHFFFAOYSA-N 415.475 1.023 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 1635737150 HDESEHCYBNZVMN-MRXNPFEDSA-N 404.511 1.998 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1638059293 KNVYGCLALMMOEF-HXUWFJFHSA-N 402.499 1.886 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C1 1638075989 XGAZLBVDQORNDZ-RTBURBONSA-N 403.548 1.610 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC3(CCN(C)CC3)C2)ccc1F 1638862040 MNSNTHLJHNQZMK-UHFFFAOYSA-N 411.499 1.227 30 10 HDEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)NCc2ccc(C(=O)NO)cc2)cc1 1639590980 HHDOABRUYNUNOK-UHFFFAOYSA-N 421.475 1.651 30 10 HDEE C#CCN(CC(=O)N1CCOc2ccccc2[C@H]1C(=O)OC)C(=O)OC(C)(C)C 1639895973 FJKWYYZRQIBQGN-SFHVURJKSA-N 402.447 1.992 30 10 HDEE CC1(C)Cc2n[nH]cc2CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1641525821 FULQGENKLLISQI-UHFFFAOYSA-N 401.492 1.826 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(C#N)c4ccsc34)CC2)C[C@@H](C)O1 1642059722 WLYHRSPGIHPACD-OKILXGFUSA-N 421.548 1.644 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCn3c(Br)cnc3C2)c1 1642704925 GIJUMYDJFGGLOO-UHFFFAOYSA-N 402.252 1.791 30 10 HDEE CN1CCn2c(CNC(=O)c3cccc(COc4ccccc4C#N)c3)nnc2C1=O 1643916898 HCWJPCWIFHETMD-UHFFFAOYSA-N 416.441 1.744 30 10 HDEE C[C@H](CC(=O)NCc1ccc2oc(O)nc2c1)/N=C1/NS(=O)(=O)c2ccccc21 1644963892 ATJVWZZNSWMTDS-LLVKDONJSA-N 414.443 1.667 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1 1645270813 QOQUOWMMFOQSPB-QGZVFWFLSA-N 401.488 1.586 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](N4CCCC4)C[C@H]3C(C)C)CC2)o1 1648594219 LOEOQIXSZBVEEQ-ICSRJNTNSA-N 414.554 1.698 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1C 1652134764 WZFXBRLWGZJMHG-UHFFFAOYSA-N 412.446 1.479 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCn3c(cnc3C(F)(F)F)C2)c1 1653082054 BWMPVIPHFQEHGF-UHFFFAOYSA-N 416.356 1.994 30 10 HDEE Cn1cc([C@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(=O)NC3(C#N)CCC3)C2)cn1 1655363756 ZIOCSMGDPFZOBC-HOTGVXAUSA-N 401.511 1.730 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)nn1 1656353644 XIQAVKSSEASJDS-UHFFFAOYSA-N 413.887 1.953 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1CC#CCN1C(=O)c2ccccc2C1=O 1660621076 OMDMCMSRUZMITK-FQEVSTJZSA-N 404.422 1.592 30 10 HDEE C#CCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)cn1 1663023539 HPEGASPJLWJIPO-IBGZPJMESA-N 416.503 1.737 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OCC 1665496776 JBVLKJOOSUIUCA-CYBMUJFWSA-N 424.928 1.256 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3[nH]c(=O)c(C)cc3c2)n1 1668982871 KIOMEDSCNXTSOB-UHFFFAOYSA-N 414.487 1.504 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1674887515 HJZFTXAUSMKIPJ-RTBURBONSA-N 419.547 1.981 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1675524137 XNZRUPHPHSEDSF-FUHWJXTLSA-N 407.536 1.681 30 10 HDEE C#C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1682897953 ZXKGCKPFYOBZMD-LSDHHAIUSA-N 401.529 1.368 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1C1CC1 1689827003 YFVDLUCCWIOJGH-UXLLHSPISA-N 408.572 1.363 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1689829341 XJALMGWKZVETJR-YRISNDGFSA-N 416.547 1.828 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1689986408 PCLVIGMGLBXXCM-INIZCTEOSA-N 419.576 1.830 30 10 HDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1)c1ccccc1 1690321542 FEIPFEACRKGSHU-UHFFFAOYSA-N 408.506 1.896 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O)C1CC1 1690545177 KZXQACAVCSLNBI-MRXNPFEDSA-N 421.567 1.738 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1690570227 ZTNKBBXVJFJXLA-UWJYYQICSA-N 415.469 1.712 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1690724424 OLYWBASPBXVOBN-KSZLIROESA-N 424.567 1.778 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705519961 CPOVVHHFVOOWRG-UWJYYQICSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(C)COCCO1 1705559283 WJTLPJNBOCGKIH-MRUHUIDDSA-N 419.526 1.924 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1705561196 OEZPKDSEOLNAPA-QGZVFWFLSA-N 419.526 1.879 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC(F)(F)CO2)CC1 1705640735 CMNVPFKTBHLRCV-QGZVFWFLSA-N 402.449 1.443 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705693781 KILYWBSFZCOQBU-AHBTXELCSA-N 417.554 1.995 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1705852684 ARDQVXNRTYSHPC-SJLPKXTDSA-N 401.559 1.410 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705888971 RUXFHOCCRKBGLN-KRWDZBQOSA-N 410.478 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705899336 PJEFFUQGCMDULZ-UHFFFAOYSA-N 419.489 1.212 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705903590 YKMFJEGMVBUMML-AWEZNQCLSA-N 423.477 1.369 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(CO)CC1 1705904651 ULJAVSUQOPHSEJ-SFHVURJKSA-N 413.478 1.302 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1705904897 BPQXODORYUDLBZ-QGZVFWFLSA-N 410.522 1.537 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC=C)C1 1705922118 GNGNIVWZCDTCKF-MRXNPFEDSA-N 406.512 1.061 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1706749967 HPKFKHZVUZEAAN-INIZCTEOSA-N 419.489 1.915 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1710104727 XODOWWVQLIJTKD-HTXNQAPBSA-N 410.482 1.441 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](OC)[C@@H](C)CC)CCOC1 1710482320 DGIXLAKDZRLWBH-TVKQPGBESA-N 407.515 1.720 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)c1 1711916510 ICILYUNKEZWHFA-FXAWDEMLSA-N 424.505 1.941 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1722322228 PNPHUEMENCPWLO-UHFFFAOYSA-N 418.505 1.521 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCNc2ccccn2)CC1 1722435425 MLVZUMGKJUOEIC-UHFFFAOYSA-N 402.506 1.993 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1722464878 VBFBUTFUACNMSO-XHSDSOJGSA-N 407.540 1.083 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722506735 VZJBJWOKKWQLLR-HKUYNNGSSA-N 423.583 1.684 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1722608472 DXZKWFZAJZPSNA-LZQZEXGQSA-N 409.556 1.861 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722615641 VQJNIIVKEBLMAY-MRXNPFEDSA-N 424.571 1.446 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(O)c1 1722673931 JYPHZSVJQATUKE-UHFFFAOYSA-N 415.494 1.915 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722730679 ZTIZSACFPNBGPU-UHFFFAOYSA-N 423.583 1.526 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(Cn3ccnn3)CC2)n1Cc1ccc(C#N)o1 1723586690 YJOFWYKHLYQNNL-UHFFFAOYSA-N 423.481 1.437 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1724057301 PLRVSMAYMKLINA-CVEARBPZSA-N 414.466 1.232 30 10 HDEE CCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1727537560 VWZQDPFDAOKTDI-IAGOWNOFSA-N 406.556 1.785 30 10 HDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1729584486 RXYHLMHKTGOETH-HNNXBMFYSA-N 410.482 1.402 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740543992 ACGIQWRBAOKHJA-INIZCTEOSA-N 421.505 1.652 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCCCN1CCCC)[C@@H]1CCS(=O)(=O)C1 1740617377 QFVPMAACLUKKFV-RTBURBONSA-N 407.584 1.868 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1740640561 PUBNFUVNSGDWDN-GFCCVEGCSA-N 406.455 1.506 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1740640566 PUTUOQBVAOIULS-QGZVFWFLSA-N 419.551 1.264 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)O[C@H](C)C1 1740683857 QBFVJUZSNUYURN-KDURUIRLSA-N 412.538 1.925 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cc(F)cc(F)c2)CC1 1740694939 XYYHZDNQWMSIBR-GOSISDBHSA-N 414.460 1.505 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOCC)CC1 1740745465 VFGFUFMADRXBMA-HNNXBMFYSA-N 414.348 1.849 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740810667 DZHNPWMOYIANGR-IJLUTSLNSA-N 402.860 1.047 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740880404 HDQLXIIKNKAXSA-QGZVFWFLSA-N 411.510 1.916 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740894514 WXBNIERDDOXOJQ-MRXNPFEDSA-N 400.508 1.720 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740962758 NJCAYKNCXUHNTR-UHFFFAOYSA-N 414.554 1.762 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741802147 KFJLRYKADXXVGY-ZBFHGGJFSA-N 422.580 1.950 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCn1ccnc1C 1744688912 HGBVVFDDRPJIHJ-UHFFFAOYSA-N 408.514 1.286 30 10 HDEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1745918615 AOWHWDLCRCVEOJ-FMQUCBEESA-N 421.461 1.711 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748305833 KWPIRRDTHUZGMO-HFUDNHEJSA-N 414.466 1.071 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748689325 AILBIGYVMNCAFI-HZPDHXFCSA-N 414.510 1.842 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748779255 COWMMOVCXBYHLW-CQSZACIVSA-N 402.886 1.558 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccccn1 1748855743 JRTTWATUWYWFMX-UHFFFAOYSA-N 404.499 1.980 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)ccc2OC)CC1 1748989704 BKVYTJTVEJSEBZ-QGZVFWFLSA-N 412.469 1.180 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)C)CC1 1749003709 SKZZTLWTGBUWHL-JOCHJYFZSA-N 417.554 1.941 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1749067820 XXKPKVDPVZREEP-VQIMIIECSA-N 402.524 1.377 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1749462425 WEOMFEJDHSMUNW-UHFFFAOYSA-N 403.575 1.410 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1749650858 IHRIJOZQADURGR-JYJNAYRXSA-N 424.571 1.207 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCc2nccn2C1 1751199201 JCBULUGMTFRMJR-SOUVJXGZSA-N 420.543 1.086 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1760160766 NOPONGYZVMXGIH-HNNXBMFYSA-N 409.490 1.964 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)CN(C)C)CC1 1760273111 IQXUGJHMNZNIPS-GOSISDBHSA-N 416.570 1.683 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760327302 FXIAOFFQUGUWGE-AXVVYFOYSA-N 403.527 1.853 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1760450901 VGLBCLOYTWKXEE-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 1760522577 WXFAJABAPRZBTE-CYBMUJFWSA-N 403.433 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1760550604 CTUKAZRHUQVLSR-HNNXBMFYSA-N 411.572 1.564 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)c1ccccc1 1760690967 HQBCDMWSQOUKRY-OAHLLOKOSA-N 413.507 1.748 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1)OC 1770778996 GETFFLTZLXUPNH-RTBURBONSA-N 415.494 1.864 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCn1ccnn1 1771180472 MQZGNSJZGHKYPR-MRXNPFEDSA-N 402.503 1.814 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nnnn2-c2ccccc2)cc1 1851228343 CBZPEUBOOMJAGP-NRFANRHFSA-N 420.473 1.830 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3c(C#N)cnn3CC(F)(F)F)C2)cc1=O 1851837191 DIWIKTSPTIMBDR-NSHDSACASA-N 409.372 1.266 30 10 HDEE Cc1nc(C)n(CCC(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852192165 FUIAQHKITAMUSB-HXUWFJFHSA-N 413.478 1.480 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CC(S(=O)(=O)c3ccc(OC)cc3)C2)CC1=O 1853993197 BHJREXSRPFLGOH-HNNXBMFYSA-N 406.504 1.494 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccccc2Cl)C1=O 1854331443 XGTQOHQNNKQLQZ-HZPDHXFCSA-N 405.882 1.565 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCN(C)CC34CCC4)C2=O)CC1=O 1854825593 HGZYNLVMZBRWQG-QZTJIDSGSA-N 402.539 1.099 30 10 HDEE Cc1nc([C@H]2CC(F)(F)CN2[C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1855748736 GBMNVRPVVCSNBZ-LSDHHAIUSA-N 416.388 1.858 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1856016053 NDOSSXZJWLVRTM-MOPGFXCFSA-N 416.566 1.489 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1856970190 RAHCDIODCVZVRV-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE Cc1ccc(Cl)c(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857143145 CXQBJQMJXOTHES-GOSISDBHSA-N 424.892 1.872 30 10 HDEE CC(C)C[C@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387070 BMNIPQQGRKJONQ-WBVHZDCISA-N 416.501 1.618 30 10 HDEE COc1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1O 1862738257 XGPLDWGCYGLMHM-QGZVFWFLSA-N 414.370 1.880 30 10 HDEE C=CCNC(=O)c1cn(-c2ccc(C(=O)NCCN(CC)CC)cc2)c(=O)cc1O 1870127147 VVXHWEOWHATZRC-UHFFFAOYSA-N 412.490 1.531 30 10 HDEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)c1 1870152574 ZVZSVQQMFDADOP-UHFFFAOYSA-N 417.429 1.774 30 10 HDEE O=C(O)CCc1nnc(S)n(/N=C/c2c(C(=O)O)[nH]c3ccc(Cl)cc23)c1=O 1873498033 JFMHYNPPDNHWRK-NGYBGAFCSA-N 421.822 1.659 30 10 HDEE C=CCn1c(C(=O)NCCC(C)C)cc2c(N3CCN(CCO)CC3)ncnc21 1873594280 QFECVCPOPJUAFM-UHFFFAOYSA-N 400.527 1.508 30 10 HDEE COc1ccccc1NC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889451856 QGUZJAWUNNIOIY-UHFFFAOYSA-N 400.523 1.959 30 10 HDEE COCCn1c(C(=O)NCC#CCN2CCCC2)cc2c(=O)n3ccccc3nc21 1889511544 XQYQMRRLUONWIT-UHFFFAOYSA-N 407.474 1.125 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](COc3cc(C(N)=O)ccn3)C2)c1 1891510067 YSMZOOJTJMRKJY-OAHLLOKOSA-N 400.460 1.532 30 10 HDEE C=CCN(CC(=O)NCCc1nnc(Br)n1C)C(=O)OC(C)(C)C 2012957637 BLXRDQFOVVSINS-UHFFFAOYSA-N 402.293 1.659 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)N1CC[C@H](C#N)C1)C(F)(F)F 2118164579 ZLJMPTFIKBWJNS-GHMZBOCLSA-N 400.423 1.512 30 10 HDEE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)c1ccc(C#N)s1 2118170420 MRCWSDRILJELMA-MRXNPFEDSA-N 401.510 1.924 30 10 HDEE N#Cc1ccc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)cc1Br 2118193860 FPKWBODJFIAYCN-UWVGGRQHSA-N 419.201 1.679 30 10 HDEE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC(C#N)CC1 2174783756 GHCBJQPCJTWFQM-QGZVFWFLSA-N 402.517 1.082 30 10 HDEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](C)S(C)(=O)=O 2186597249 LDTAALAVIXXGOD-NWDGAFQWSA-N 401.359 2.000 30 10 HDEE C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186640083 YKJOKMPMWLARKB-GHMZBOCLSA-N 400.331 1.054 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2188791139 OQCKONSRAWECQI-KBPBESRZSA-N 403.501 1.348 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2195308082 OVXUQXZWWJOFAU-FRRDWIJNSA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2211150930 HFOZLPZKLOWXIG-OWCLPIDISA-N 423.510 1.201 30 10 HDEE C[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243397790 JBFJCDQOXNBPTP-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243407061 KTAASYSVXFBSNJ-JSGCOSHPSA-N 405.304 1.957 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243685488 VTXYYEACPUYDPH-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE C[C@H](CN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247847684 AHNHSPJUNAZFKM-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2247859919 YXKCYWPRPOHLJS-OAHLLOKOSA-N 419.287 1.662 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)o2)OC1(C)C 2247864098 AHKZZFMRUYSEKD-QGZVFWFLSA-N 416.205 1.862 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247915500 DDXCGJHQWDZURV-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1 2247919976 VCEFYGJVJOJLPJ-UHFFFAOYSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055038 JZDYCRHILLXVDM-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE N#CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258170062 LHDHLSATKYAKDT-RYUDHWBXSA-N 423.369 1.130 30 10 HDEE CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356162 XIBOYXFDWBJPGN-MRVPVSSYSA-N 408.738 1.114 30 10 HDEE C[C@@H](ONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269039568 GUFHAYJOZLFKLO-SSDOTTSWSA-N 411.694 1.384 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)NCCC#CC(C)(C)C)NC(=O)OCc1ccccc1 2270533231 AZMQXIFSHQBHIR-KRWDZBQOSA-N 424.519 1.813 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270541258 XWPLCOFAFPZROP-VJFUWPCTSA-N 422.503 1.566 30 10 HDEE Cn1ncc(NS(=O)(=O)c2ccc(N)cc2C#N)c1I 2280053909 YZULGRWPGUTEOR-UHFFFAOYSA-N 403.205 1.279 30 10 HDEE CC[C@@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(N)=O 2282314827 FXBXTIWJNZPQHO-MRXNPFEDSA-N 402.347 1.288 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282493299 SOMYGUVJNBKVAJ-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)NC2CCS(=O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282829609 HIVTXDFEIDIBTM-UHFFFAOYSA-N 419.399 1.545 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282833042 UGPRWEIWRGMWMF-RUZDIDTESA-N 405.322 1.172 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)NC[C@@H]1C 2282834265 RFYBCDDDNFNKAI-NEPJUHHUSA-N 400.375 1.727 30 10 HDEE CC(C)[C@@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839159 ZSPIWJXYGRUNOX-GFCCVEGCSA-N 404.363 1.126 30 10 HDEE CC(C)(O)[C@H]1CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282841506 VMWWRBYPZWCSMK-GFCCVEGCSA-N 402.347 1.117 30 10 HDEE CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282885131 YFSKXWQMWUVYBU-CHWSQXEVSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCO[C@H](CF)C2)OC1(C)C 2282887563 FMJFYRXXWBJRDT-CYBMUJFWSA-N 405.322 1.547 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284405784 PKWUHXWWUMRSRG-CMPLNLGQSA-N 401.315 1.282 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](F)[C@@H](C(=O)O)C2)OC1(C)C 2284410707 DILQIYPUJZRYSC-ONGXEEELSA-N 405.278 1.091 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)n1C 2300293000 FLELSIVXHYACCK-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CCOc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2325707254 HIUIFFUGPCVSMV-UHFFFAOYSA-N 402.472 1.674 30 10 HDEE CC(C)(C#C[C@@H](N)C1(O)CCC(NC(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2339661255 GRCUFQJVIVLCBW-IDYZSHNDSA-N 422.547 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2342032104 IQRIJCPHSFAROS-KBPBESRZSA-N 400.522 1.520 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365203358 SGSLCKYBXUSUDA-JJXSEGSLSA-N 400.541 1.555 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207863 ATFUFSSJROMJNT-CVEARBPZSA-N 402.557 1.817 30 10 HDEE C[C@H]1[C@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2370707782 USDJUOGQBMOPPM-SGMGOOAPSA-N 401.359 1.827 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)[C@H]1CCN1C(=O)OC(C)(C)C 2375784046 GTJMXUAGHQKXDV-LBTNJELSSA-N 402.513 1.514 30 10 HDEE CN(C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)[C@@H](CC#N)C(F)(F)F 2379884432 AQHMEEFZFILIFX-JTQLQIEISA-N 413.418 1.323 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NCCc2ccc(F)cc2)n[nH]1 20424086 RXQMRGBXIGSUHS-ZVBGSRNCSA-N 416.486 1.883 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C)CC1 32826639 WTRQZLMTUZIJTP-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2c(OC)ccc(OC)c21 44359938 CPTWAAJITPBCCO-ROHOOWMXSA-N 423.516 1.205 30 10 HDEE C#CCN(CC(=O)Nc1sc(CC)cc1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 111192510 QDJKFKHPFIDOCF-CYBMUJFWSA-N 412.533 1.548 30 10 HDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](N[C@@H](C)c3ccccc3)[C@@H]2O)cc1 245380640 DXIMAQSOGTXDBC-HIQBCGIASA-N 419.499 1.904 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 250367920 AJEWBBPONKSLGI-LPHOPBHVSA-N 420.531 1.490 30 10 HDEE COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427302077 MRPXYMQARSOUGJ-LLVKDONJSA-N 420.422 1.493 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 430271453 XVMUQUMYGYRPTM-PMACEKPBSA-N 421.519 1.266 30 10 HDEE CCCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 430878204 MSJPOKDNWGIITL-UHFFFAOYSA-N 402.476 1.954 30 10 HDEE N#CCC1(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 431048195 FKUNAPPCDLGVGT-UHFFFAOYSA-N 402.480 1.273 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cn1 460771626 STFQDYPTSKCLLW-UHFFFAOYSA-N 412.406 1.964 30 10 HDEE CC(C)OC(=O)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 463253241 CIAMPLSCKXXUDV-UHFFFAOYSA-N 422.507 1.306 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2nccn(C)c2=O)CC1 465241686 VLWLURRQTWEGDR-UHFFFAOYSA-N 411.462 1.168 30 10 HDEE Cn1ncc2c(N3CCN(C(=O)NCCOc4ccc(C#N)cc4)CC3)ncnc21 466106822 KLSYLXXYWWBIMW-UHFFFAOYSA-N 406.450 1.146 30 10 HDEE C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 476808067 VTNJUDWPSJLGHI-GOSISDBHSA-N 401.463 1.476 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)n1 479399383 WHXKHIAWKSICBP-UHFFFAOYSA-N 407.451 1.245 30 10 HDEE COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(OC)c1OC 481526622 GZSYJBGFWSLMQC-GFCCVEGCSA-N 419.459 1.890 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCOc2ccc(C(N)=O)cc2)cc1 482522922 LNTCYBTUVCRYSY-GOSISDBHSA-N 424.482 1.966 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC(N3CCC(C)CC3)CC2)CC1 502824241 MEBJFSKMOMBMFH-UHFFFAOYSA-N 405.587 1.659 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 503704893 PAGFRGZBJKTWKR-MRXNPFEDSA-N 421.438 1.242 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(O)c3c(C)c(C)sc3n2)CC1 520397037 BKILEASFOUAJJT-UHFFFAOYSA-N 417.535 1.393 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C1CC1 532820332 QDOCMOOYIMEZFR-OXJNMPFZSA-N 412.490 1.121 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)NCCN(C)C 535371632 OHOWMZIIQWBOIE-HNNXBMFYSA-N 402.467 1.207 30 10 HDEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(CCc4ccccc4F)C3=O)CC2)n1 544875106 SAOIGNKAKNPQHI-LJQANCHMSA-N 407.449 1.585 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546213538 SXNKJBHQGVBRAS-UHFFFAOYSA-N 417.466 1.257 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1NS(C)(=O)=O 546217089 ATQQCLLRESUWNX-UHFFFAOYSA-N 414.491 1.987 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 567452464 ZAFPNSQHLRVODP-KRWDZBQOSA-N 404.540 1.869 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 581338684 NDCOJUQMEYDVAB-BBRMVZONSA-N 407.496 1.397 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCNC(=O)C[C@@H]2c2ccccc2)C1=O 725771140 QKYHWTXBDSEZOF-AUSIDOKSSA-N 417.469 1.846 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CNC(=O)NCc2ccc(Cl)cc2)cc1 727625847 KLOGQANOHPHJTL-UHFFFAOYSA-N 420.878 1.657 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 732152676 GFILUBPADUWQIX-XUTLUUPISA-N 421.457 1.379 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 732670288 XGBCQOXURBGBDH-GFCCVEGCSA-N 400.298 1.819 30 10 HDEE COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N2CCOCC2)cc1 732701064 OXNBZKWDCIOCRA-CTNGQTDRSA-N 413.522 1.450 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C)cc1 734963768 MDEQBORBLXNIHE-IEBWSBKVSA-N 413.455 1.591 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ncc(Cl)cc1Cl 741339885 CDJATNBQCNSRRB-PEZBUJJGSA-N 413.217 1.787 30 10 HDEE CN(C[C@H]1CCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)OC(C)(C)C 745812829 DSERHCZPXMBMII-UPTRSRDDSA-N 421.498 1.554 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 756677599 RHRIQWJKAQJPEY-LBPRGKRZSA-N 417.325 1.900 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CCN1C1CC1 763387887 NVTCWKXHJMHZRI-HNNXBMFYSA-N 406.483 1.423 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 767166174 HJZNJEGTEFXLQN-KRWDZBQOSA-N 407.392 1.876 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)[C@H](C)CC)n(C[C@@H]3CCCO3)c2=O)cn1 772277464 IYHSLHNKFHTRDS-ZBFHGGJFSA-N 412.515 1.504 30 10 HDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cnc3c(C)cccn3c2=O)cc1OC 773767239 ANMNZBVAZMDCJR-AWEZNQCLSA-N 406.398 1.981 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 773973564 RBPIUTUUOCMNBI-YOEHRIQHSA-N 407.492 1.456 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C)cc1 779319324 ZCXNXNQUQHVSMQ-WMZOPIPTSA-N 419.503 1.745 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C(N)=O)c2cccc(Br)c2)n1 789317326 MKSOCQUTOLFLSV-QGZVFWFLSA-N 405.296 1.954 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 790583263 ZEXNWIKKTZNELD-QFIPXVFZSA-N 418.538 1.226 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC 795400015 CRDDKJCHZSWGHB-LLVKDONJSA-N 423.241 1.380 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(=O)OC 795969408 AMWYKOSHSSWJKA-GFCCVEGCSA-N 409.819 1.288 30 10 HDEE CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798745711 LDQCWQNQQQGLHW-KGLIPLIRSA-N 412.450 1.763 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1)[C@H]1CCS(=O)(=O)C1 802358735 GSNIRVQBHVGOCI-DLBZAZTESA-N 419.503 1.329 30 10 HDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 821701021 XAWLGEPPQDOTBM-JOCHJYFZSA-N 401.426 1.962 30 10 HDEE O=c1c(C=NNc2c(F)c(F)nc(F)c2F)c(N2CCOCC2)nc2ccccn12 874073374 SFIXRCGFGCDEFI-UHFFFAOYSA-N 422.342 1.929 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914595016 QDBXVHBHTNSXQP-LZWOXQAQSA-N 408.476 1.293 30 10 HDEE N#CC(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1CCN1CCOCC1 916201429 OLEDXOIFAKESRA-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C[C@@H]1CCCO1 917767936 GXTKIOYNHMVRTL-SFHVURJKSA-N 415.478 1.572 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)cc1 1084036293 KPCJZXJQCRKGFT-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE C=CCN(C(=O)[C@@H]1CO[C@H](CCC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1125883410 FFZPWMMCMQQMNM-HRCADAONSA-N 401.525 1.715 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(C)(=O)=O)cn2)ccc1F 1129190877 GWSVROAEZFAJSZ-UHFFFAOYSA-N 413.452 1.341 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCOCC3)cn2)s1 1136011942 VUCPAXNMIXJBHS-UHFFFAOYSA-N 422.532 1.625 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1 1158850955 AGYUXIOHIKMKNM-CQSZACIVSA-N 406.450 1.361 30 10 HDEE COC(=O)c1ccccc1N(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1166220705 BWBIWMYTARTJBK-UHFFFAOYSA-N 424.457 1.002 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCOCC1 1180609699 GNWJVOFGHUULQP-UHFFFAOYSA-N 406.236 1.482 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H](C(=O)OC)c2ccc(C#N)cc2)CCO1 1196554753 YKIGISHNBVKVDZ-DYESRHJHSA-N 404.463 1.831 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 1235547189 TVDBIGVGCIAOSZ-CQSZACIVSA-N 416.906 1.154 30 10 HDEE C=CCN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[C@H](C)COC 1235548731 ZLIHQSIAJQJUGC-GFCCVEGCSA-N 407.895 1.990 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1251168919 AXRJDZOUDLGWIC-KFWWJZLASA-N 409.483 1.381 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CNC(=O)c3ccccc32)c(C#N)cn1CCOC 1264542771 HDPHISARJXIPOE-MRXNPFEDSA-N 410.430 1.649 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1F)[C@H]1CCS(=O)(=O)C1 1264995874 VRVRDQWICVCDLD-NSHDSACASA-N 421.231 1.693 30 10 HDEE C=CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H](C)COC 1278972121 QTQUMYUAXJTKIM-QGZVFWFLSA-N 410.536 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1286299128 SJBBYQAPNXKKRZ-WBVHZDCISA-N 418.567 1.991 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286336957 RMXOIYHESGVHPZ-RTBURBONSA-N 414.554 1.361 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1F 1286377308 VMEYUHLLWDQDLH-CYBMUJFWSA-N 412.437 1.910 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286389412 JORSNNBHKLZNDA-INIZCTEOSA-N 417.535 1.436 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1286394120 HAVLCKBBCPPEKN-CQSZACIVSA-N 402.467 1.487 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1286416600 PZFCCNMRFUHOIP-HTAPYJJXSA-N 405.458 1.341 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1 1286451953 FQQFPLWPRVBJGC-ROUUACIJSA-N 406.527 1.905 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC2(C)COC2)CC1 1286474983 UKULOESJVINILC-UHFFFAOYSA-N 411.506 1.754 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1OC 1286522058 GISRAUWZNWSXOK-PFRQMTDMSA-N 406.552 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCN(C)C1 1286531272 USXXULNGVNFNPY-PZBISTMVSA-N 403.527 1.061 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286593005 ACPSKOYUZLMAPH-ZIAGYGMSSA-N 401.471 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccccc2F)CC1 1286822046 YJMRWHNHGIYOAL-UHFFFAOYSA-N 407.515 1.907 30 10 HDEE C=CCSCCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286835951 DDZLWKSTGCMMCN-GOSISDBHSA-N 414.597 1.807 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)o1 1287730532 RLKNMITZHOWNQM-UHFFFAOYSA-N 403.460 1.837 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCC[C@@H]1C 1288804627 GMHVDAOALQWRBA-SUNYJGFJSA-N 410.544 1.179 30 10 HDEE CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1292563354 YHXVSQVTVSKGRG-AWEZNQCLSA-N 409.483 1.891 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cn(C(F)(F)CO)nn3)CC2)c1 1292596484 LBVPKNCJFSQACK-UHFFFAOYSA-N 404.377 1.182 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1298951306 PISBIKAAUMOEIV-UHFFFAOYSA-N 411.510 1.883 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)C(C)(C)C 1300468045 RNJRKKBKAWDMND-UHFFFAOYSA-N 414.535 1.799 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)C(C)(C)C 1300663657 COJCWHPITMVIBW-UHFFFAOYSA-N 407.540 1.583 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@@H]1C[C@H]1CF 1300663971 MCDUUOLKTXIZCF-GOEBONIOSA-N 420.514 1.855 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(F)F 1301492236 BNGXVYPXUFGGQU-UHFFFAOYSA-N 417.424 1.314 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301519199 NGWHXBFQNNNGBD-UHFFFAOYSA-N 401.515 1.538 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301596492 QHYUCQAZKISQJN-HNNXBMFYSA-N 404.540 1.244 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1301951538 AYMUORDZCNFDTC-KGLIPLIRSA-N 408.503 1.866 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1OC 1302409523 LFQXGRLVYPXXFX-ZSYWTGECSA-N 413.478 1.207 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OC 1309763197 XGELZRMYLJCOIK-CQSZACIVSA-N 416.521 1.257 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1 1310666626 PYNJOSKEIONFDJ-HNNXBMFYSA-N 409.508 1.887 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1 1320156668 LRZFJJFDKPOIAD-CQSZACIVSA-N 414.911 1.778 30 10 HDEE CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1339504248 HVOAJORMKVEQTM-MRXNPFEDSA-N 400.508 1.545 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1342211209 UWQSACSFCFSLLO-RDJZCZTQSA-N 409.464 1.551 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)C1CCCCC1 1347349813 NCCCJQUXWZCMEH-GFEQUFNTSA-N 403.523 1.522 30 10 HDEE CN(C)CCOc1ccc(/C=C/C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1353197739 FZVDUAOFFZQXSJ-VMPITWQZSA-N 410.478 1.710 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N(C)C 1358990337 KNRCFKRVEJLHDO-UHFFFAOYSA-N 415.519 1.308 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CCOCC2)CC1 1359037123 WNFZZPDPIVQGSA-UHFFFAOYSA-N 413.497 1.305 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359091732 RFCLYLPJJXDMEL-WMZOPIPTSA-N 411.572 1.866 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359102254 ZDEWZFNXVDFQNG-NSHGMRRFSA-N 410.522 1.947 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359133299 OQBQVIVNWBIGKB-FUHWJXTLSA-N 402.499 1.686 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCOCC2)CC1 1359181445 SEWUPBBLNQOZIQ-UHFFFAOYSA-N 416.570 1.914 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1359224620 XOPKGNICWHPJQC-HXUWFJFHSA-N 423.456 1.955 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1359267150 WMARBIZMOXEVOI-UHFFFAOYSA-N 407.482 1.897 30 10 HDEE C=CCn1c(-c2ccc(Br)cc2)nnc1N(C)CCNS(C)(=O)=O 1359284691 GFYUSRYYXIBWTH-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCO[C@@H](C)C1 1359294101 KMNCGKAJRWKJRR-AWEZNQCLSA-N 400.439 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1359298274 UCLZEODTRZSPSP-UHFFFAOYSA-N 409.494 1.091 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CCOC2)C1 1359302527 KJJLLKWCFOSLLE-IBGZPJMESA-N 402.524 1.553 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1359342512 ZFUQCYQKCQUCIQ-MRXNPFEDSA-N 409.556 1.910 30 10 HDEE Cc1cc(C)cc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1361041580 CTKZEUHLUJDYOZ-MSOLQXFVSA-N 410.478 1.654 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1438907117 GRLPQVQUSKFMRI-YWZLYKJASA-N 405.426 1.607 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 1440889218 YVOARMSANPAQCL-UHFFFAOYSA-N 422.482 1.487 30 10 HDEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1447937633 DSKQGSZHHNEASG-HIFRSBDPSA-N 409.229 1.244 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1452252319 UEAXNOZFBKDGCC-MRXNPFEDSA-N 419.425 1.641 30 10 HDEE C[C@H](CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1455039374 RLSGFQUUSJUPFD-CXAGYDPISA-N 408.483 1.659 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CCN(C)C)C(=O)C1 1460340788 UXFHDMFHJVMZLE-KRWDZBQOSA-N 401.511 1.036 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC)c1 1463523596 OVNHXFRJNXZSGJ-SFHVURJKSA-N 401.488 1.238 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@]3(C)CCS(=O)(=O)C3)C2)C1 1463925911 BDIVKBCUYJVKQE-UIPMGKATSA-N 411.524 1.467 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCCN1CCC[C@H](C(N)=O)C1 1464650275 CPUJPVFHSHPSPV-AWEZNQCLSA-N 407.312 1.567 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1466017700 GBRYTXGKQAJNMQ-AWEZNQCLSA-N 406.508 1.129 30 10 HDEE COC(=O)CCN(CC(OC)OC)C(=O)Cc1ccc(Br)cc1C#N 1466789576 YIXWNGJMBSOFAB-UHFFFAOYSA-N 413.268 1.874 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)n1 1470481317 KVVGPXRTGQLIOW-AEFFLSMTSA-N 400.483 1.328 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(CC)c2)CC1 1471450522 CPNUPBZIWPLPCX-UHFFFAOYSA-N 414.325 1.237 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)CC1 1471451383 RIYIBWIEBUMZBS-UHFFFAOYSA-N 408.461 1.035 30 10 HDEE Cc1oc(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1472203031 SGXUCAGHNKFZHS-CABCVRRESA-N 409.464 1.318 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(Cc2nc[nH]n2)CC1 1475462116 BZIVDLBGNZWNRJ-UHFFFAOYSA-N 400.386 1.202 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc2c(cc1Br)OCCO2 1475545136 RMVURQYYFMFYJW-NSHDSACASA-N 404.282 1.927 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1477814270 PBNNFXUEMMHHQX-KSZLIROESA-N 416.526 1.172 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)cc1 1478686202 SGNPBMSFSPZNOH-QFIPXVFZSA-N 418.490 1.967 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1478897032 URVXUDFYKKNWII-KBPBESRZSA-N 400.298 1.457 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCN(C)C)CCOC1 1502673143 YELIOXNPNYGQQR-OAQYLSRUSA-N 420.558 1.638 30 10 HDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1503303824 UBYFAWPNZCPFBM-OLRZCDJHSA-N 403.508 1.722 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1505326026 ZPWVDACSMSMRJG-SFHVURJKSA-N 416.526 1.551 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507596805 PQJJJMNXXDDJLD-SVMVAKDDSA-N 415.538 1.789 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)CN1CCOCC1 1507612643 YECVALJNGBQIEQ-QGZVFWFLSA-N 413.522 2.000 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1507666976 MFWAQOLMSAONBE-INIZCTEOSA-N 400.479 1.982 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507679558 XYUOGTKKBDAIOZ-APWZRJJASA-N 410.540 1.215 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1507687625 OXWMSFXUVAKXTH-UHFFFAOYSA-N 414.535 1.948 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCO2)CC1 1507739711 UQOHMRZZVKYVDB-MSOLQXFVSA-N 401.511 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@H]2OC)CC1 1507741558 WSSINNCOQHJYFV-GUDVDZBRSA-N 415.538 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)NC[C@H]2C1 1508081754 ONHAATQQCAXPEW-ZDUSSCGKSA-N 415.885 1.115 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1508098135 XFQXINDGZZOXBC-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1scnc1C 1508098225 YVUGROPXSPOKOY-YOEHRIQHSA-N 420.539 1.706 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[S@@](=O)C(C)(C)C)C1 1508130737 IMWSQPJSTOWIHF-GUNSETOZSA-N 423.583 1.729 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508139548 CSWBBLQXBNJONS-INIZCTEOSA-N 418.567 1.949 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508161935 OIHNJLNCVPEQAZ-HNNXBMFYSA-N 401.602 1.866 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1512564285 GTKOGUUPMSCDBV-QJGXAYKQSA-N 418.523 1.250 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512908691 MONARMZLEAVBSQ-LTDXQCTPSA-N 402.499 1.791 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1513701920 RANHGDFNYFTJDQ-IAGOWNOFSA-N 410.478 1.427 30 10 HDEE CCN(CC(C)C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1515462542 FDMLOYJNADVGJD-ZPHPHTNESA-N 412.498 1.687 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@](C)(O)C1CC1 1516591766 HBBHLOIQUSKMAH-OAQYLSRUSA-N 411.510 1.569 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cnc(-c2ccccc2)cc1=O 1519178596 KCHGTBRJHURUMF-INIZCTEOSA-N 415.457 1.309 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1539171117 GQEDSXHAVZXFOU-UHFFFAOYSA-N 419.489 1.271 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(OC)CCOC1 1539299878 OKNFVMUISQYYNC-FGZHOGPDSA-N 416.522 1.587 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2C[C@H](COC)OC)CC1 1539441477 PZZOJZSIZCNSAZ-LJQANCHMSA-N 420.517 1.910 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCn1cccn1 1539613146 VYAVGAZTZYQWHB-ROUUACIJSA-N 413.526 1.828 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(OC)CCOC1 1540063786 BUSSJYVBLWXQEG-LJQANCHMSA-N 420.539 1.666 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](CNC(N)=O)C3)CC2=O)cc1Cl 1540834633 HORJNMGZLCMHFV-OCCSQVGLSA-N 403.870 1.471 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2C)C1 1540871852 VLRSFRCIZXHXPJ-MJGOQNOKSA-N 411.506 1.971 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1541292611 HHOWJJOBRJTVTK-PXNSSMCTSA-N 417.535 1.847 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)c1 1542676294 DGQZBENQUBGVMN-IBGZPJMESA-N 411.445 1.684 30 10 HDEE CC(C)(CO)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1546338652 FQPBSRCFXMEBNZ-OAHLLOKOSA-N 404.898 1.480 30 10 HDEE COC[C@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555335958 KPGIELUJEKAJEG-LZICOFPGSA-N 414.510 1.935 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cnn(-c4ccccc4)c3N)C2=O)cc1 1556458064 YVGOQWCQODZXKG-IBGZPJMESA-N 400.442 1.857 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)c3nc(O)c(C#N)cc3C)C2=O)c(OC)c1 1556521239 UDZRAGODNCFMAN-INIZCTEOSA-N 410.430 1.515 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H]3[C@@H]3CCC[C@H]3O)C2=O)cc1 1556706625 IWLQKZYCSDBCMU-WJFTUGDTSA-N 410.474 1.915 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2O)C1 1558140852 PVXHQGIZCHGMHU-UHFFFAOYSA-N 419.390 1.899 30 10 HDEE Cc1nnc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1C1CC1 1567187108 BBAWCVLKHXGURM-MRXNPFEDSA-N 407.434 1.315 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(N)=O)C2)C1 1567686584 QBELXMLMSFTJQZ-NIEOVYDESA-N 416.522 1.886 30 10 HDEE O=C(NO)c1ccc(CNC(=O)C2(S(=O)(=O)c3ccccc3)CCOCC2)cc1 1568181521 ZVVOLSUHLKMUEE-UHFFFAOYSA-N 418.471 1.445 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1568909029 RGTXNTHVMVPFSQ-AWEZNQCLSA-N 407.341 1.990 30 10 HDEE CS(=O)(=O)C[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1583599636 HWXRHXVNOASMGL-LLVKDONJSA-N 401.282 1.593 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(C(=O)OCC)CCCOC2)cc1 1586248361 KXXJORSPTQPTLH-LJQANCHMSA-N 410.492 1.241 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](OC)C[C@]3(C)C(=O)OC)ccc2c1=O 1587053275 AKJVOCFDCBOXCT-ZUOKHONESA-N 417.487 1.664 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1587568383 PRTJLWIICIQKIB-CNNODRBYSA-N 419.570 1.745 30 10 HDEE C#CCOCCC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1587619897 ILKJBTAUJCSFRX-SJORKVTESA-N 421.494 1.457 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594727189 LMLKKOYUTJEBBK-SJORKVTESA-N 416.526 1.905 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1595556080 NDLAWXVHTVVPIQ-KRWDZBQOSA-N 419.913 1.676 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1595594807 PUKSXEMTHMOIKY-UHFFFAOYSA-N 418.523 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCN(C(C)C)CC1 1595830417 BLBTXDGFJAELAC-QGZVFWFLSA-N 411.572 1.651 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)cc2C1=O 1597101821 TVKFCUOXUDTOEZ-AWEZNQCLSA-N 402.472 1.698 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)c1 1598461044 BOEILJIYMIZWDW-UHFFFAOYSA-N 422.547 1.829 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@@H]1CCCO1 1608405075 CIBHZDDZFIMLJB-KXBFYZLASA-N 408.478 1.444 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3cccnc3Cl)ns2)C1=O 1611199382 WPAIOIWMDOCHHP-UHFFFAOYSA-N 406.811 1.169 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H]1C 1615760887 GNXRRHOBOXFPJO-IRXDYDNUSA-N 420.525 1.812 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc(Br)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1616335857 JQCHVHYWRXECEA-TVQRCGJNSA-N 404.673 1.508 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)C1 1616566382 GTLHFWLVXDZWEO-PDDLGQBUSA-N 424.505 1.448 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)ccc1OC 1618618095 QPKWXYDZFWDMRT-SFHVURJKSA-N 419.459 1.164 30 10 HDEE COCc1nc(Cn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)cs1 1619672081 GVUIDSCZVXGPAA-UHFFFAOYSA-N 410.507 1.831 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NC1CCCCC1 1620026194 WNQZIUACRWWANT-NVXWUHKLSA-N 420.514 1.180 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@H]2CCOC2)cc1 1620350123 DDOINYGDOWEXDS-KRWDZBQOSA-N 424.505 1.714 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1625165504 OLYCOILVPQFZSF-NSHDSACASA-N 403.298 1.107 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1625387692 OMYQYYICFBCPAT-QZTJIDSGSA-N 422.547 1.018 30 10 HDEE C=C(CCN(C)C)C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1627599820 PBYAIQBMCQHSKL-UHFFFAOYSA-N 403.523 1.993 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)n2ncc(C#N)c2N)cc1 1630732861 NINRIFPSOXZYMT-MRXNPFEDSA-N 401.448 1.423 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1)c1cc[nH]n1 1634077454 BUTIHGOXFOAHRK-DOTOQJQBSA-N 400.435 1.765 30 10 HDEE COC(=O)[C@]1(C(F)(F)F)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1636236915 AFJKGNOAHNZXFC-HNNXBMFYSA-N 422.356 1.691 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(=O)c2ccccc2[nH]1 1636252877 QOCPLSDXOFPWKJ-ZDUSSCGKSA-N 410.455 1.383 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3O)CC2)o1 1636623971 GMEIFPVUWTUDNQ-HZPDHXFCSA-N 419.482 1.168 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](C(=O)Nc4cn[nH]c4)C3)n[nH]2)c1C 1637159999 ZTPAVGVEXZEPDF-AWEZNQCLSA-N 408.466 1.900 30 10 HDEE O=C(CCCOc1ccc(I)cc1)N[C@@H]1CCCN(O)C1=O 1637667715 IDFQMTIDARCWFG-CYBMUJFWSA-N 418.231 1.947 30 10 HDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)NCc3ccc(CC#N)cc3)ccc21 1638830154 NRKHAYIIJHEOQL-UHFFFAOYSA-N 406.446 1.373 30 10 HDEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1639659051 LCWCEQAEDAVDLW-BLLLJJGKSA-N 421.441 1.825 30 10 HDEE C#CC1(O)CCN(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CC1 1641976475 KWTFVTNRSKGPFU-UHFFFAOYSA-N 404.513 1.743 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 1643888410 KKFFZCLNNRUDRE-QGZVFWFLSA-N 411.487 1.093 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C)CCC2(CC1)OCCO2 1653137423 RJSSJHGZHNHTLA-OAHLLOKOSA-N 421.519 1.665 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc(Br)ccn2)cc1 1654613932 BAIILSJUOCXGDI-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@H](CNS(C)(=O)=O)C2)c1 1655527688 ONIXAZKUQOPHOW-QZTJIDSGSA-N 406.552 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)c2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655783766 LIIVHAXZABCBMI-SQNIBIBYSA-N 421.519 1.310 30 10 HDEE C#C[C@@H]1CCCCN1Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1 1656425705 ANGUKWUKBPNTBB-LLVKDONJSA-N 403.460 1.474 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)n1 1658505197 SERCLXKMQCJDTB-QZTJIDSGSA-N 404.511 1.155 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc1C 1660567787 QITIAZDLMWOUQA-IBGZPJMESA-N 423.521 1.423 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC 1660940023 KDFVLXMPANIUTD-SJORKVTESA-N 405.513 1.388 30 10 HDEE C=CCN(C(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1663449469 RUHYWMIOYCFZEN-OCCSQVGLSA-N 414.455 1.973 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@@H]12 1676809666 NBOZYDNSXKFXHS-QBAKWTLCSA-N 400.523 1.285 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](Cc2ccc(F)cc2)C(C)C)CC1 1678048458 QSLAAURJVKGEEH-SFHVURJKSA-N 410.515 1.188 30 10 HDEE C#C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@H]1CCCO1 1680314299 MSTHGQUXXZHHTL-FPCVCCKLSA-N 417.428 1.425 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 1681072098 TYFTYILKVIBLLN-JPYJTQIMSA-N 423.517 1.808 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1 1686056233 UPEQETJHDNYMKP-JIOXEZPLSA-N 412.434 1.356 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1689851875 WRXZRICVHUWGAL-QAPCUYQASA-N 402.520 1.833 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1689927781 CCYJESYSGSKHAY-GXZWQRSESA-N 414.510 1.746 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1689945464 FCVOLJPEIKHPLQ-AWEZNQCLSA-N 407.544 1.167 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCOCCN(C)C)[C@@H]1CCS(=O)(=O)C1 1689991348 ZYURBDNNDUNZGB-GOSISDBHSA-N 423.583 1.141 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(C)n1 1690089530 DITMPEKZXGUDOR-GOSISDBHSA-N 407.453 1.790 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCC)CC1 1690132543 SJRICFARBXNHEV-UHFFFAOYSA-N 402.524 1.061 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1690310244 YFLMFMVKYHGZIE-CQSZACIVSA-N 400.439 1.327 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1690470473 CJPBSTKPONVHEE-OAHLLOKOSA-N 412.560 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690665383 BKXFAZGHYYIVKZ-ZDUSSCGKSA-N 417.901 1.353 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCOC2)CCOC1 1692595928 QNSRYBFDAFAQIB-MBOZVWFJSA-N 405.499 1.474 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC1CC1 1694325232 AWZUALOHKNOZIM-LJQANCHMSA-N 405.478 1.165 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696517157 VWXANJSENDZBLL-GDLZYMKVSA-N 411.491 1.577 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486831 SKSMFVJROJTSTC-NXILGLLWSA-N 415.429 1.098 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1705513024 XITFFOZTNAGKIT-UHFFFAOYSA-N 412.519 1.702 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1705596278 ZHBSHDFYTLRHMJ-KRWDZBQOSA-N 424.505 1.189 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1 1705616198 XYPVFIHDLFPHIV-UHFFFAOYSA-N 402.568 1.940 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCOCCCO)CC1 1705636326 GCMBNNXUTQILLC-UHFFFAOYSA-N 421.904 1.892 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCC)C1 1705674446 JFYWGHGPUFCDRN-DBXWQHBBSA-N 419.595 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOCC1 1705695750 YXCVSDWSBNMOSK-MSOLQXFVSA-N 420.558 1.166 30 10 HDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1705736837 DQOJSURFCBHLQY-SFHVURJKSA-N 413.478 1.710 30 10 HDEE C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCS1 1708209435 HZOFHQGTFCNWJM-QWHCGFSZSA-N 407.521 1.635 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCn1cc(C)cn1 1710698441 XQDDRGSDHKUGOF-UHFFFAOYSA-N 408.466 1.555 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1712317942 DIHLSHYNVFPBAA-RTWAWAEBSA-N 412.494 1.306 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722332882 FDBIONPGQWOLQE-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N1CCCC1 1722353679 YXQKMGHHIYIQDI-IAGOWNOFSA-N 417.535 1.680 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NCCC 1722385067 YZGRYJNEJDMKKM-LJQANCHMSA-N 407.474 1.780 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1722437352 RTPYYBHGTPHKPQ-UHFFFAOYSA-N 400.527 1.778 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCN2CC)CC1 1722438855 FAMMMEJAQADGNY-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722462757 RUBTULATLIZUFE-QGZVFWFLSA-N 417.579 1.898 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722553747 AJQDEYDHFYLIMU-QMTMVMCOSA-N 409.918 1.926 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722603128 OPPXKWLXRLCUHZ-KRWDZBQOSA-N 424.509 1.858 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1 1722795875 FIDBDDFFLGUKDU-QGZVFWFLSA-N 410.526 1.024 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(CC(=O)NC(C)C)CC2)n1Cc1ccc(C#N)o1 1727021162 YIQSKXOJIPEZNH-INIZCTEOSA-N 413.526 1.951 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)CCOC1 1728789756 GINFCXPIXHTYPB-GOSISDBHSA-N 411.528 1.105 30 10 HDEE CN(CCCc1ccccn1)c1nnc(-c2cccc(C#N)c2)n1Cc1nnn(C)n1 1729513737 YTNXKCQOANWTED-UHFFFAOYSA-N 414.477 1.853 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1730840055 JCQUAXGMKAXCNU-NHYWBVRUSA-N 422.383 1.123 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740590082 DZPDCTWZFDPLKP-SFHVURJKSA-N 401.511 1.271 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740592711 FNNPOTYNHMZUNU-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)N(C)C 1740605150 OKRIVUZJBIQQRL-UHFFFAOYSA-N 411.915 1.568 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@H]1OC 1740634778 IHEFDOCWHGJNRG-AZUAARDMSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1740637408 ARJBOEAKZKLICG-KRWDZBQOSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1740664613 XACRUFOOQKIHOY-FQEVSTJZSA-N 415.519 1.286 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1740749795 FFPUHOOQVLMBEG-YJBOKZPZSA-N 416.526 1.209 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1740807550 FOTUXFOXLHGLGL-HNNXBMFYSA-N 413.873 1.388 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(C)C)C1 1740951709 LTWFMNLAIMZAOQ-HNNXBMFYSA-N 413.482 1.089 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cccn2)CC1 1740957540 RKWXHUDSNLHJLZ-UHFFFAOYSA-N 409.498 1.094 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966364 YBDLKQWEXNSNEZ-BEFAXECRSA-N 409.556 1.563 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O)C1CC1 1745953168 ANWMHPVRSRRVBM-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1748045632 JIIVNBCLQYTOQS-MSOLQXFVSA-N 403.849 1.914 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1\N=CC=CC1=O 1748682070 PYDBXXSLLMALKP-HLAUDOPJSA-N 410.503 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)cc1 1748856202 TYRDNDRYXREJHB-UHFFFAOYSA-N 401.474 1.360 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748918666 MSSRZYZSGWXRGZ-KRWDZBQOSA-N 401.536 1.995 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[C@@H]2COCCO2)CC1 1749004133 FMRGPSXCHSDYBK-FUHWJXTLSA-N 403.527 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOC(C)(C)C)CC1 1749009506 JUEDLAJWSPAUTI-SFHVURJKSA-N 417.554 1.953 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1749131455 SIRFSCNMDRSDCM-ULQDDVLXSA-N 404.515 1.225 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749231545 VAMZPBQHVKQSLW-IBGZPJMESA-N 418.586 1.956 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749234506 GBPONZWUQOQYKN-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1749402482 OQUJPMSSYVWZNM-KRWDZBQOSA-N 423.583 1.984 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749407269 YXLYMYIDKHVGPR-MRXNPFEDSA-N 409.556 1.770 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1749583901 CJGSUWBHAKJUEI-HSZRJFAPSA-N 421.549 1.980 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1749677366 XFLGYAFQKLPSJN-INIZCTEOSA-N 418.542 1.884 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1750065732 BKHMLKYNVKTCGL-LBPRGKRZSA-N 413.873 1.742 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(F)cn1 1750154392 NARXBUZQEUMEAR-XKQJLSEDSA-N 402.430 1.313 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1751094235 GNKBBRFTHSUQEO-GOEBONIOSA-N 416.507 1.441 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1760185854 FRLOMQCBYFZCAF-KRWDZBQOSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC(C)(C)C 1760204900 GXNXNVXSSRVBBT-UHFFFAOYSA-N 417.517 1.894 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sccc1C 1760206312 WFRGRTFXKAHDJL-MRXNPFEDSA-N 402.545 1.866 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(C)COCCO2)CC1 1760270189 UDZFWZKVPJDWLP-OAQYLSRUSA-N 401.511 1.317 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1760360226 VBSXVPQWTIPELD-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760565848 FYIWRONSTVXVNZ-CABCVRRESA-N 415.585 1.219 30 10 HDEE CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)c1=O 1765344513 DCIYTAWPIHLMLN-QFIPXVFZSA-N 423.521 1.760 30 10 HDEE O=C1N[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)CS[C@H]1Cc1ccccc1F 1772790369 QPTMWFBPHZYXRH-HOTGVXAUSA-N 414.414 1.723 30 10 HDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)c1cn(C[C@@H]2CCOC2)nn1 1849366577 SSUOJJHERAGSAS-NSHDSACASA-N 417.267 1.937 30 10 HDEE N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2n1CCCC2 1849953194 BGXMLWRTARYFSL-ZDUSSCGKSA-N 407.430 1.854 30 10 HDEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1F 1850673970 UQUJDJJFOPIQMH-UHFFFAOYSA-N 421.436 1.640 30 10 HDEE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851193013 MKEREGUJFVNJTA-UZLBHIALSA-N 408.458 1.847 30 10 HDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)nc1 1851386870 QYPSVIBIQKPYBB-UHFFFAOYSA-N 400.460 1.117 30 10 HDEE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1853053947 HPXNLUDKEMBFBF-KUHUBIRLSA-N 418.457 1.744 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1=O 1854178792 GQJSPWVNAVLACD-RBUKOAKNSA-N 401.482 1.913 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(F)c(F)cc2F)C(=O)C12CCCC2 1854395967 QYGGZRPJZOGPIB-UHFFFAOYSA-N 415.393 1.554 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1F 1854401370 MQJGVJMGAVJTRP-HNNXBMFYSA-N 420.418 1.796 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccccc2Cl)C(=O)C12CCCC2 1854401978 VXPKMHSQNRBIFD-UHFFFAOYSA-N 409.895 1.719 30 10 HDEE COc1ccccc1OCC(=O)N1CCN([C@@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1855008447 WHIADQOHDIBWFX-QZTJIDSGSA-N 414.506 1.511 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2COc3ccccc32)CCN1CC(=O)c1ccc(C#N)cc1 1855121477 XBVXATDINCRKIO-DNVCBOLYSA-N 403.438 1.976 30 10 HDEE CC(C)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855633991 NMQIJSCIWIVYER-KRWDZBQOSA-N 403.504 1.990 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCCc4nc(C)cc(C)c43)CC2=O)CC1=O 1855699623 DPSOWILXSPSGTP-QZTJIDSGSA-N 410.518 1.861 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@@H]3COc4ccccc43)CO2)cc1 1855834091 BSFFANVAVDYNML-RHSMWYFYSA-N 400.412 1.582 30 10 HDEE COc1cccc2c1C[C@H](C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O)CC2 1856091953 GZUMBNHVXRJJFC-OAHLLOKOSA-N 419.503 1.103 30 10 HDEE Cc1cc(C)n(C[C@H](C)C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)n1 1856290744 DGBFQAOVAUTFJA-INIZCTEOSA-N 409.490 1.758 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C2=O)CC1 1856538148 DXFAWMMZXXHRCF-KRWDZBQOSA-N 400.458 1.195 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C(=O)C2)C1 1856837178 JDOHUCVLTCVBSO-OAQYLSRUSA-N 407.518 1.866 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857056411 MWKVCEMODMHCJR-HNAYVOBHSA-N 419.472 1.991 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)c3csc(-n4cccc4)n3)C(=O)C2)C1 1857152845 XKSDNPVPPSNCEQ-INIZCTEOSA-N 412.519 1.596 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1857223907 SFQOQPNJQGHFOE-MSOLQXFVSA-N 400.523 1.778 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nnc(C4CC4)s3)[C@@H](C)C2=O)CC1=O 1857440893 TXJSLVSGDBBTBA-JSGCOSHPSA-N 403.508 1.009 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1862630267 PSPQUAURRIUMJI-QGZVFWFLSA-N 412.354 1.894 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(CCOC)n2N)nc1C 1874543413 YRBNCRPBJMHLKA-UHFFFAOYSA-N 412.497 1.019 30 10 HDEE COc1ccc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890144343 RQUARVVADVBTEX-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)cc1 1891833445 HUDNRMJMWPRANN-AWEZNQCLSA-N 401.400 1.591 30 10 HDEE N#CC1CN(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2006286367 FERUNFVMHHRVKD-ZDUSSCGKSA-N 406.386 1.133 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2054406431 VQKXRGGGTUEYIT-KGLIPLIRSA-N 420.413 1.524 30 10 HDEE N#CC1CCN(S(=O)(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)CC1 2054406746 YFRDFTVJWQCSTC-UHFFFAOYSA-N 406.508 1.858 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCc2nnc(Br)n2C)C1 2077090826 XIPZOCUIRDKJQY-UHFFFAOYSA-N 414.304 1.850 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2082043249 GPDSJIXPFMUNDH-HXUWFJFHSA-N 408.520 1.803 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CSCCN(C(=O)OC(C)(C)C)C2)cc1C#N 2174788575 GTISANOZMICNCC-AWEZNQCLSA-N 412.537 1.893 30 10 HDEE COCCNS(=O)(=O)N(C)[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2186588929 ARLVPYSUNIWVCJ-GFCCVEGCSA-N 404.363 1.521 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2244223013 YJNSGSHBVIBQEU-CQSZACIVSA-N 402.494 1.205 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2247801888 IUXZCPZFOBLIFE-PQEBFOHHSA-N 420.315 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@@H]21 2247811780 CCFPUUSBUDZUMU-KBPBESRZSA-N 418.303 1.543 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](OCc2ccccc2)C1 2247856851 CESWTNWJOCAKPP-MRXNPFEDSA-N 412.299 1.546 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@H](C#N)C1)NC(=O)OCc1ccccc1 2258162147 LYFJLNBAZNYBFG-HZPDHXFCSA-N 409.464 1.020 30 10 HDEE C#C[C@@H]1CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167054 DMTDOQITRRMJQU-HYVNUMGLSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C=CCNC3)cc2Cl)OC1(C)C 2267357883 BXEMFQZYRBEVPD-SNVBAGLBSA-N 404.750 1.507 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[S@@]1=O 2267711785 PULHPRRPLOUNCE-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1CC#N)[C@H](O)C(F)(F)F 2280085342 UFTSZQRZTQMTFQ-UTLUCORTSA-N 401.332 1.953 30 10 HDEE C#CCN(C(=O)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2280423298 HZXAZPSUHDIMIW-KSSFIOAISA-N 402.488 1.375 30 10 HDEE C[C@@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282029333 QNQFHGBKSIZRBG-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282349301 WTWKZLUXPREUHZ-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511206 KTSQMIBYBHPKBL-JPQMIFPKSA-N 421.777 1.685 30 10 HDEE Cc1csc(C(=O)NCCCCS(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282568121 XSQQFILMARQOLV-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2CCOCC2)OC1(C)C 2282830502 VGTOIIZNMAAWQV-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE CCN(CCCCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837763 WXZOWTQGZHRKTP-UHFFFAOYSA-N 404.363 1.367 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H](CN)C3)s2)OC1(C)C 2282848867 SWJABPQVKVAAHV-STQMWFEESA-N 400.375 1.843 30 10 HDEE CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282855428 DPDHJBFGEORRMQ-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCN 2282882159 HRQDAVNGFDNWBD-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE C[C@@H](CCC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284402866 LSVYJDOCHNKCLM-JTQLQIEISA-N 404.319 1.115 30 10 HDEE CC[C@@](C)(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284413865 BVDXYLXHGSCXLI-INIZCTEOSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](C(=O)O)C3COC3)sc2Cl)OC1(C)C 2284463099 RHVQNEZQJMTEHD-LLVKDONJSA-N 401.677 1.530 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C[C@H]3CCCCO3)s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c1nccs1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367785129 CPAXIRZQWIMJAO-ZIAGYGMSSA-N 413.565 1.877 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367787885 MHLVOMWVLBDFCK-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC1(C)OB(c2cc(N3CCSC[C@@H]3S(C)(=O)=O)ncc2F)OC1(C)C 2371994734 RUCXZYYUGWYDSA-AWEZNQCLSA-N 402.322 1.444 30 10 HDEE C=CCOc1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCC(C)C)c1 66229042 HVUJTVSFRQEIHK-GOSISDBHSA-N 403.479 1.580 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCNCC3)C2=O)cc1 96573472 FZUBFFFKOOIGIR-OAQYLSRUSA-N 400.479 1.230 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)C[C@@H]1CCCO1 108081402 AUALHDARBIQIJP-KRWDZBQOSA-N 422.551 1.987 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)C2)cc1 409632205 QNXONQQCKKVTIM-HOTGVXAUSA-N 416.507 1.236 30 10 HDEE CC(C)N1C(=O)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1(C)C 442509048 FGQYAXKKCOYCAS-UHFFFAOYSA-N 408.405 1.956 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)cn1 461311876 VNPNDUQCYLRYQJ-UHFFFAOYSA-N 414.433 1.432 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)CSc2ccccc21 465121179 MASAKDHXOJTZQM-CQSZACIVSA-N 408.487 1.524 30 10 HDEE N#Cc1ccnc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1[N+](=O)[O-] 471615455 SYBLKJUQZCVLMT-UHFFFAOYSA-N 409.449 1.556 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H](O)COc2ccccc2Br)CCC1 477466650 YPDPPPUTJMXMIR-GFCCVEGCSA-N 403.298 1.802 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 479826532 AFBPFBGWLCSWBC-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2 480068766 JNQPOEPBEDZHNP-ROUUACIJSA-N 422.493 1.344 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 480136473 OPACRMQPALNQSI-WBVHZDCISA-N 408.510 1.903 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 507299475 BROKVTYJZKFFJR-SJKOYZFVSA-N 416.521 1.261 30 10 HDEE CC(C)N(CCC#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 526112497 PEJPDDDVZZZKJX-MRXNPFEDSA-N 407.492 1.728 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 533960718 CKHAGMCCFMOFJY-MRXNPFEDSA-N 413.430 1.832 30 10 HDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N(C[C@H](C)C#N)C1CC1 536375749 VNLMMWAZAANVDU-GFCCVEGCSA-N 401.510 1.770 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccccc3)[C@@H]3CCOC3)CC2)o1 537095800 QFPMTDQJYWPLGL-WIYYLYMNSA-N 409.490 1.871 30 10 HDEE CN(CC(=O)NC(C)(C)C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 540471690 JTKSROWBCZYACU-GOSISDBHSA-N 403.502 1.381 30 10 HDEE COc1nc(C)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540697110 DQOKVIDTUPIIPH-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OCO3)CC1 543885937 HSSDRWRABYHLCH-UHFFFAOYSA-N 414.443 1.825 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H](CN1CCCc2ccccc21)C(=O)O 547894588 BGEJHIYEZLGHRO-INIZCTEOSA-N 403.435 1.882 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCC(=O)N(C)C)CC1 554624384 UPFRIHHPKQHPOV-UHFFFAOYSA-N 412.494 1.460 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1)C(C)C 559867124 JONVHQZSYYCQBS-XMSQKQJNSA-N 407.555 1.598 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585226854 CKWHXJOZYMBDAZ-UHFFFAOYSA-N 423.864 1.845 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)O[C@@H](C)COC)cc21 586315919 ZNFBNGOIKJVQKI-WXWKEVLISA-N 423.487 1.496 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 603739695 MOKZQMXTGMKLMD-MSOLQXFVSA-N 408.545 1.986 30 10 HDEE CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)CC1 609419609 IQMLSKBXVQZISF-UHFFFAOYSA-N 422.526 1.652 30 10 HDEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732152432 BIWRLVJDIOEQLG-AOMYARPXSA-N 416.503 1.698 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)cn1 732562439 ABANCLMAYNIYSC-UHFFFAOYSA-N 417.494 1.715 30 10 HDEE C#CCN(C(=O)CCCCCNC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 734426587 PUSBFQSHCRVIRR-GOSISDBHSA-N 411.568 1.828 30 10 HDEE C[C@H](CC(=O)NCCN1[C@H](C)CCC[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 742652755 IIQWMJYRKHBBHZ-BZUAXINKSA-N 406.552 1.883 30 10 HDEE C[C@H](C(=O)OCc1cc(Cl)ccc1OCC#N)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443266 MWAZCAPUGLFXJR-VVUXQZRGSA-N 418.833 1.836 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 747865127 GKBNGJGQQHBIJA-CYBMUJFWSA-N 420.940 1.406 30 10 HDEE COc1ccc(CN2CCCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)cc1 751734151 PLXZNEZSLSDLGT-UHFFFAOYSA-N 410.474 1.797 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2cc(C#N)cn2C)ccc1Cl 751734179 PSULOKBXNHFIJN-UHFFFAOYSA-N 424.866 1.596 30 10 HDEE C#CCN(CC#C)C(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 752151867 ZSXZRUCJACXFRS-UHFFFAOYSA-N 410.451 1.967 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)NCc3ccc(OC)c(C#N)c3)C2)nc1 753237894 ZZLLEHKOMNTUOD-UHFFFAOYSA-N 409.446 1.827 30 10 HDEE CC[C@H](C#N)NC(=O)C[C@]1(C(=O)N[C@@H](C#N)CC)CCN(C(=O)OC(C)(C)C)C1 758954183 MOCCSDUATGKVSF-STXHMFSFSA-N 405.499 1.840 30 10 HDEE COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n(C)n2)c1 763133712 AJBKJHDLXYRBDU-MRXNPFEDSA-N 408.462 1.233 30 10 HDEE CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)cc1 771546894 XQWMOIYYIQJFOA-CQSZACIVSA-N 401.496 1.083 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCOCC)c2=O)cn1 772280227 XQJAYULJJWYASZ-UHFFFAOYSA-N 412.515 1.506 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 773294270 TYOWGQSIIXQMMC-UHFFFAOYSA-N 409.442 1.960 30 10 HDEE C#CCN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 774227660 PTCOUOFYHVAWAC-HNNXBMFYSA-N 408.480 1.537 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 784126008 ADJAFLIPNGZVCJ-GOSISDBHSA-N 416.547 1.644 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 788680142 QCCSNQQYTSNUAF-RDJZCZTQSA-N 417.418 1.402 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(F)c1Cl 788885036 HCOZTJVHPSKGNH-SECBINFHSA-N 400.280 1.944 30 10 HDEE Cn1ncc(/C(O)=C(/C(=S)Nc2ccccc2C#N)n2ccc(=[N+](C)C)cc2)n1 789402578 OYEDKJRCMXHHNM-UHFFFAOYSA-O 406.495 1.843 30 10 HDEE C=CC[C@@]1(C(=O)NCC(C)(C)NS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790620560 RSIMWCRMJRDVGT-SFHVURJKSA-N 403.545 1.776 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ncn(C)n2)C1=O 790739349 YAHRYIGJLIBZDQ-ZDUSSCGKSA-N 421.552 1.076 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(Br)cn1)[C@H]1CCS(=O)(=O)C1 793412911 LXWQECCKYSLNLD-YPMHNXCESA-N 400.298 1.737 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 794223346 RUHYEMKPVHXFKP-ZWKOTPCHSA-N 421.482 1.583 30 10 HDEE Cn1c(N2CC[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c(=O)n(C)c1=O 801681685 BUALELVYHBZWLB-FQEVSTJZSA-N 403.483 1.183 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cccc(S(=O)(=O)NCCOC)c1 803525582 RVEIPNYOMIZQRZ-IBGZPJMESA-N 400.500 1.976 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Br)c1 804959626 HQKYFHQWMOBXGP-CQSZACIVSA-N 406.323 1.401 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 811902092 AZTOILDWJNEUOL-RDTXWAMCSA-N 403.545 1.780 30 10 HDEE CC(=O)N1CCN(C(=O)[C@H](OC(=O)[C@H](C)Oc2ccccc2C#N)C(C)C)CC1 914678713 KRYZKPVLEINPRM-HNAYVOBHSA-N 401.463 1.584 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@H]1CCCO1 917767904 FMUJRLKYXWNDRY-MRXNPFEDSA-N 409.467 1.277 30 10 HDEE C=CCn1nc(C)c(CN2CC[C@@H](N3CCN(C)CC3)[C@@H](CCC(=O)O)C2)c1C 1073353645 LEULXCZQAPLEQT-PZJWPPBQSA-N 403.571 1.989 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(CC)c3)n2)s1 1084197427 KSXVHOGBIAPQCH-UHFFFAOYSA-N 406.501 1.612 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 1118796919 DZXNYLFBFHQUFW-UHFFFAOYSA-N 409.490 1.862 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@]3(C#N)CC34CCCC4)CC2)c1 1126285203 AEXRIJMOKIVCCU-NRFANRHFSA-N 415.515 1.849 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129020847 BUNFWSKQXFNIDN-KDOFPFPSSA-N 403.545 1.776 30 10 HDEE N#CC1(CC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 1136202789 CSFGEEVZWMKJFI-UHFFFAOYSA-N 409.483 1.805 30 10 HDEE Cc1ccc(C#N)cc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1136683803 PMQLHVUVGJWWKU-UHFFFAOYSA-N 414.267 1.521 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC(O)(C(=O)OC)CC2)cc1OC 1137586550 SONNUNRWWOEKSE-UHFFFAOYSA-N 422.478 1.751 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1141020278 DMMIPAQBQGCVLJ-NQIIRXRSSA-N 410.445 1.658 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(F)ncn3)CC2)c1 1141252554 UPBSCTOCDYAJDG-UHFFFAOYSA-N 405.455 1.042 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1cccc(I)c1N 1142386494 IRQSVFJOYWAGJM-UHFFFAOYSA-N 407.215 1.982 30 10 HDEE C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCN(C)CC1 1144227026 QJDBBJILRPRFCI-CQSZACIVSA-N 420.355 1.509 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)CCOC1 1167320662 HEGIWFDKGLNNIB-KRWDZBQOSA-N 412.368 1.062 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1190445759 HFHZJXPGZJGOKQ-UHFFFAOYSA-N 409.508 1.586 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(C(=O)OC)cc1Br 1213429908 DLVXFLHJAMJZLB-UHFFFAOYSA-N 404.307 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCC2)[C@@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1248536175 FCFSBRSTAXEBAZ-KRWDZBQOSA-N 419.526 1.837 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)nn1 1252076430 FQTMHKATAJTJSQ-HNNXBMFYSA-N 408.384 1.866 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1286278685 PPWLCTYJESESEY-CVEARBPZSA-N 415.469 1.874 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1(O)CCOCC1 1286403306 HZBWZPIUYFXDNW-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)O 1286462836 XPVPJLKHRPWWFX-UHFFFAOYSA-N 424.505 1.532 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)N(C)C2CC2)CC1 1286484819 PLVWTXHGCQLENC-LJQANCHMSA-N 410.570 1.378 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NCCC 1286727234 NNFINABSHTWCSN-OAHLLOKOSA-N 422.530 1.735 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286777582 HGALHJDUUQLCQF-YLJYHZDGSA-N 402.499 1.816 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnccn1 1286790372 QOTWBOQPANYHBH-UHFFFAOYSA-N 417.477 1.245 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1288518023 REUWDABQFPCOSY-HOCLYGCPSA-N 424.484 1.900 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H]1C 1290649686 YUMLZXVZPVDIBI-SFFUCWETSA-N 402.539 1.958 30 10 HDEE C#CCCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1293933061 OMECJTALZYADPG-UHFFFAOYSA-N 419.547 1.050 30 10 HDEE CCN1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1=O 1296116500 FQTUNSLZEIJLLV-UHFFFAOYSA-N 422.493 1.711 30 10 HDEE CCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297572838 MNHLCVCWXFGMKI-SFHVURJKSA-N 411.510 1.802 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1297797462 XTTUVFYIZIADBV-OHZJNBGDSA-N 404.452 1.351 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3CNC(=O)c3cnn(C)c3)cc2C1=O 1297868815 KQKIUIOXBATKEA-INIZCTEOSA-N 421.457 1.237 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1298344649 VQIHQKRYPOUXML-QZTJIDSGSA-N 410.478 1.517 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1300275620 XDGGFZLZIOEQQB-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1ccc(C(N)=O)nc1 1300546942 AIOIVOFTAROUQY-IEBWSBKVSA-N 420.517 1.812 30 10 HDEE C[C@H](COc1c(F)cccc1F)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1300619724 KJRQXSPBFNVJMR-GFCCVEGCSA-N 409.414 1.698 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(OC)cc2)CC1 1300681518 SKFNUIOOSPRBIZ-UHFFFAOYSA-N 410.522 1.423 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1301051521 NIJXPOJMJHJYTN-UHFFFAOYSA-N 402.890 1.270 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(CC)S(C)(=O)=O)CC1 1301058846 INEBFPBEOPATGY-UHFFFAOYSA-N 424.571 1.342 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1301294002 KFOHAOLAFIMEDT-OXJNMPFZSA-N 402.520 1.636 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1301421469 WPVARMZYWOSOTC-UHFFFAOYSA-N 406.512 1.014 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@H]1CC 1301479425 ZSOVWVJDKBNKKI-HUUCEWRRSA-N 424.571 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301585582 CXKUSCOZYVQCMR-INIZCTEOSA-N 423.583 1.669 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Cl)cn2)C1 1302979310 HBKDHFHFMXNCAJ-QGZVFWFLSA-N 406.853 1.506 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccncc2Cl)CCO1 1303002392 WYXIETLFZSQDDA-AWEZNQCLSA-N 401.858 1.340 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C#N)CCOCC1 1305274006 CTIVDFPYPZRKBC-INIZCTEOSA-N 418.519 1.720 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1316064368 BMEWAWDCJMLYRH-LJQANCHMSA-N 414.510 1.651 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(C)n2)cc1 1322578936 ONDHQKVNWMENKE-CQSZACIVSA-N 410.430 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1358869885 ZHHPDZCOJSYTQB-ICSRJNTNSA-N 424.549 1.948 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1358941733 WAVQGFAQPKNZHK-LJQANCHMSA-N 405.524 1.426 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1359216473 XBKAZSXWLYJZHJ-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1359240231 JJZXTDBVJBLFRQ-CQSZACIVSA-N 416.569 1.160 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N2CCOCC2)C1 1359319959 JOXCOMIKBIAILP-GBESFXJTSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359332777 HACDDTCTCLQDOT-APWZRJJASA-N 412.556 1.462 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1359341322 SJHYBLAQQUPXDH-CYBMUJFWSA-N 418.523 1.627 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1439618498 XLXXPMKGWPRCKV-NHYWBVRUSA-N 415.334 1.938 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(OCC2CC2)c1 1443399177 PNAZJUYLZYQRED-AWEZNQCLSA-N 414.487 1.725 30 10 HDEE CC[C@@H](C)n1ncc2c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc(C)nc21 1457197403 PMDJRDWQECPVNQ-GFCCVEGCSA-N 407.434 1.542 30 10 HDEE O=C(c1ccc(-c2nc(=O)o[nH]2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004784 YVXPJKYTVIRYQL-UHFFFAOYSA-N 408.370 1.548 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1[N+](=O)[O-] 1458121708 PEROVZZLLIIWHG-UHFFFAOYSA-N 412.431 1.854 30 10 HDEE COC(=O)c1cc(C2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)no1 1460681119 XRZGDDBTAZXSRQ-SFHVURJKSA-N 417.510 1.333 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)CSc1nc(C)c(C)c(C)c1C#N 1462406907 ZMVZKLSBWRGIOR-FQEVSTJZSA-N 406.552 1.776 30 10 HDEE CC(C)C[C@H](C#N)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1464664563 AJPODVGSLIGAQS-LVQVYYBASA-N 413.540 1.711 30 10 HDEE C=CCOC[C@H](NC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1467515115 FEOGJLGRDNMYGM-GJZGRUSLSA-N 400.472 1.263 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@]2(C#N)CCCOC2)c1 1467972635 BLVXKLJKPSSQMA-LJQANCHMSA-N 408.524 1.566 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ncc4c(n3)CCC4)C2=O)cc1 1468893836 GPHAPRHDSKYZLB-QGZVFWFLSA-N 404.430 1.358 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H](O)C(=O)OCc3ccccc3)CC2)o1 1471507206 DYSJIVPOTWUVML-SFHVURJKSA-N 412.446 1.292 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1471984096 OPZXQGSWIZIMTQ-AWEZNQCLSA-N 419.532 1.982 30 10 HDEE C[C@@H]1Cn2nc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2CN1C(=O)OC(C)(C)C 1472518665 XOKYDTPWGRFFTL-HZPDHXFCSA-N 416.526 1.988 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(CCC(C)C)cc2)CC1 1475620184 BZMUYXVQCWKNEM-UHFFFAOYSA-N 413.565 1.049 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)[C@@H]1C[C@@H]1C 1476642068 UYWJADALLFKNLA-VPZFNDQJSA-N 416.503 1.850 30 10 HDEE C[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)CN1CCO 1478475797 GCPFWQXFNKRASH-XYCLOBBJSA-N 401.511 1.740 30 10 HDEE CN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1503528158 ICPALPVHBNAAJW-NCJSADBTSA-N 400.483 1.892 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507610010 CTVDUBRSDXOQDC-GJZGRUSLSA-N 401.433 1.505 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1507631522 FEJILSWQSZJCJS-CABCVRRESA-N 410.565 1.304 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1507678676 BLIOHPPUKFCJPU-DYVFJYSZSA-N 411.553 1.317 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cccs1 1507701838 BTYRVPURYFWBLF-FQEVSTJZSA-N 417.535 1.569 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507799918 SUEZAHXMILKJOG-NCOADZHNSA-N 412.556 1.633 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508167523 MSVPVYKATFWQLB-IRXDYDNUSA-N 404.584 1.993 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1508812668 AXVHDBOWYPUUTB-UHFFFAOYSA-N 423.521 1.551 30 10 HDEE N#Cc1ccc(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cn1 1525173972 RVMJRCLQNOIBTI-SFHVURJKSA-N 410.449 1.469 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)OCC 1535091305 ODLMRUUGQOBWCL-YWZLYKJASA-N 419.865 1.570 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(CN2CCNC2=O)CC1 1536618511 GWMLRMDBNNALPW-UHFFFAOYSA-N 400.479 1.990 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1539966139 FLVDVTOJORVPGY-YESZJQIVSA-N 409.556 1.956 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1540063926 GJWNDWQHGIHUCP-AWEZNQCLSA-N 408.528 1.522 30 10 HDEE Cc1n[nH]cc1CCCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1540725437 WNHMYIZUVZMCAE-KRWDZBQOSA-N 417.535 1.920 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@](C)(CC)C1 1540869177 DVNMPBAVZYIJDX-HXUWFJFHSA-N 416.482 1.313 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)CN3CCCC3)CC2)cc1 1540876916 GFXBPJFSQMTKMX-UHFFFAOYSA-N 424.549 1.944 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1540884088 JYCXHXQWWMYLST-FQEVSTJZSA-N 411.554 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540905988 XXRDBMZYPGTYEL-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1541116747 USFNWNYYNIKOPX-XOBRGWDASA-N 404.465 1.810 30 10 HDEE O=C(Cc1csc(COc2ccccc2)n1)NCCN/C(O)=C1\N=CC=CC1=O 1542978729 WMCJLFFHYOPKJP-FMQUCBEESA-N 412.471 1.907 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1544797031 UONVCTIMANVUQE-DMIMOZFVSA-N 409.494 1.902 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C(=O)OC[C@@H]3C2)C1 1545428205 HUMAXUOAZOQXRX-AWEZNQCLSA-N 405.252 1.420 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1556289248 SAFUICCTYIAZBJ-OLZOCXBDSA-N 405.417 1.820 30 10 HDEE CN(C)C(=O)O[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556709007 LSJPUWJAMUTGES-HOTGVXAUSA-N 413.434 1.062 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(Cn3cncn3)cc2)c1 1556837500 XYQBYICUCUNJBQ-UHFFFAOYSA-N 413.434 1.693 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)c1cc[nH]n1 1557132456 SBWJAPRQJHEGEB-CRAIPNDOSA-N 420.853 1.681 30 10 HDEE C#C[C@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C1CCOCC1 1557580835 XFOBTRSYGSNRON-KRWDZBQOSA-N 415.515 1.880 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCN(CC(F)F)C3)C2=O)cc1 1558089278 QDGOLYKECJHIIP-GOEBONIOSA-N 419.432 1.466 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)C1 1558328551 ALCUAGWWHSRIPE-MRXNPFEDSA-N 416.526 1.678 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[C@@H]1C1CC1 1558643262 QLCBMTBWNGDXHP-QCBUCWTNSA-N 423.535 1.561 30 10 HDEE COCCN(C(=O)CSc1cccc(C#N)c1Cl)[C@@H]1CCS(=O)(=O)C1 1559470423 YEMXCOBQGGAQCX-CYBMUJFWSA-N 402.925 1.966 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 1561423496 DBTJMCUGYHQXCF-ZFWWWQNUSA-N 401.282 1.937 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)C1 1562590983 FDQNGMLMAHGWNY-INIZCTEOSA-N 401.467 1.402 30 10 HDEE C#CCN(C(=O)NCCCS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1564924202 HAWYZBAIOACGOB-UHFFFAOYSA-N 415.556 1.856 30 10 HDEE N#Cc1cn(CCNC(=O)NC2CN(c3ccc(C(F)(F)F)cc3)C2)c(=O)nc1O 1565378089 GHXMCAXUQFUYSM-UHFFFAOYSA-N 422.367 1.027 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1584579306 QWILIOCSJVGESU-KRWDZBQOSA-N 420.554 1.831 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1587758918 JSVJFFUQPBXABD-KRWDZBQOSA-N 416.526 1.947 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cc(Cl)cc(Br)c2)C1=O 1587866657 LYGDQFCQRJIILO-UHFFFAOYSA-N 401.600 1.985 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CSCCS2)CC1 1588811663 LSMITCGGBCRDAF-DLBZAZTESA-N 407.609 1.776 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC2(CCN(C)C2=O)CC1 1589135128 TVBBEDWFDJABJB-MRXNPFEDSA-N 403.552 1.945 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCn1cc(CO)nn1 1589229205 ZNRTXRIMDMWPNX-OAQYLSRUSA-N 406.494 1.430 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1 1589581282 QYMJLWKJPANZNO-KRWDZBQOSA-N 418.542 1.411 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 1594194883 YALYDYZVPUQWLF-GXTWGEPZSA-N 419.498 1.715 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCOC)C(=O)C1 1594760645 MJNMZWGXQUXPOC-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC3(C[C@@H](O)CNC3=O)C2)s1 1595700209 UBDAMKAMQPCRAK-LLVKDONJSA-N 401.941 1.548 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1595745582 SXUMDAQCOMANHU-LJQANCHMSA-N 424.505 1.988 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1596752179 QDUHQZVAQYNTNZ-FQEVSTJZSA-N 411.441 1.697 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1 1597331819 CZUVHRIEBAHRAZ-AWEZNQCLSA-N 413.521 1.373 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)NO1 1602917333 AUMLQGAXPRMQPQ-HXPMCKFVSA-N 413.471 1.573 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1611303672 RGBAYKGDXSAENN-HOCLYGCPSA-N 420.468 1.829 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1614069604 AXTPXQDSXAUJKT-KRWDZBQOSA-N 407.478 1.058 30 10 HDEE CN(CC(F)F)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1618812920 JVZQRBBHBILZDG-UHFFFAOYSA-N 403.426 1.924 30 10 HDEE O=C1C=COC2(CCN(CC(=O)NC(=O)Nc3ccc4c(c3)OCCO4)CC2)C1 1620626132 KGRPQNMYHCJHHD-UHFFFAOYSA-N 401.419 1.444 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1624317610 CRJVHNRBPPRZHU-UHFFFAOYSA-N 412.464 1.164 30 10 HDEE COc1cc(C)ccc1Oc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cn1 1624474030 DRTREMGYBPKFLX-UHFFFAOYSA-N 407.386 1.964 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 1624749078 MZRICWUNZZMINW-AWEZNQCLSA-N 405.451 1.805 30 10 HDEE CC(C)[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)N1CCCS1(=O)=O 1627790759 SMNWOJNKLNSNOE-OALUTQOASA-N 404.536 1.655 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccn3cc(C(F)(F)F)nc23)CC1 1628147097 WNOBEGVJENCBAN-UHFFFAOYSA-N 407.396 1.250 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)CC1 1630038984 KDHRMYYMDHIECQ-IRXDYDNUSA-N 404.532 1.954 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)B(O)OC(C)(C)C2 1631282914 SVDMNSPMQFIMHQ-QGZVFWFLSA-N 400.284 1.971 30 10 HDEE COc1cc(Br)ccc1CCCNC(=O)Cn1cc(C#N)c(O)nc1=O 1631396910 DGZRTCSNFAQERO-UHFFFAOYSA-N 421.251 1.341 30 10 HDEE CCn1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cnc1Br 1631744368 FPROLRBWBRGCQY-LLVKDONJSA-N 404.272 1.678 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)CC1 1632611110 PXVPAGIUSYVYOB-CQSZACIVSA-N 402.499 1.960 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1633455986 RYKKCGNPJJPJSH-MGPWXQLLSA-N 408.499 1.959 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@H](O)c1ccncc1 1634775826 FQQUSVFKAZYJCC-GVDBMIGSSA-N 419.478 1.470 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1635008821 XLPWJPOBAMIWII-NSHDSACASA-N 400.867 1.046 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCCn2nccc21 1636440884 KONHDCFMMWOBDJ-CVEARBPZSA-N 415.519 1.988 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OC 1638401217 JAYXULBNUXZNSJ-LBPRGKRZSA-N 419.297 1.724 30 10 HDEE N#C[C@@H](CO)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1640691627 RXDUKMPDDCDFBT-LBPRGKRZSA-N 401.282 1.536 30 10 HDEE O=C(Cn1ccc2ccc(Br)cc21)NCC(=O)N[C@@H]1CCCN(O)C1=O 1641521198 MQNRXYUVQIDWOA-CYBMUJFWSA-N 423.267 1.016 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)c1 1642643452 QPMDYTGLKLSSEQ-SFHVURJKSA-N 411.527 1.945 30 10 HDEE N#CCCCn1cc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c2ccccc21 1643615986 DIWWPPHPYWHLHY-FQEVSTJZSA-N 401.488 1.975 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(C[C@@H](O)CC3(C#N)CCOCC3)C2)ccn1 1643647968 NYXWSKDDUQIAMC-WMZOPIPTSA-N 402.495 1.356 30 10 HDEE N#Cc1ccc(OCC(=O)NCC2(S(N)(=O)=O)CCC2)cc1Br 1644846009 RAYUYBDICNVMEB-UHFFFAOYSA-N 402.270 1.027 30 10 HDEE C=CCN1CC[C@H](N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1647784817 VHZVXWQTTSLIJE-MSOLQXFVSA-N 422.570 1.953 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)c1 1647986845 UAQCFJXSYNDUEC-HNNXBMFYSA-N 404.492 1.937 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1649541735 IGMHGFFDZQXWAW-JOCHJYFZSA-N 424.505 1.746 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1650917268 XXNOUTYOASANDD-CQSZACIVSA-N 417.491 1.720 30 10 HDEE C#CCN1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 1651409246 QQAPWBGBQQCXOP-OAHLLOKOSA-N 408.480 1.125 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1 1652764281 XOLOYHNDFOANFL-CQSZACIVSA-N 414.487 1.656 30 10 HDEE N#C[C@]12CN([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1654975070 MVPIVIDYPCHGSN-UXEPBGEESA-N 414.314 1.969 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1655318460 DFDYVHHGQCCIGI-CQSZACIVSA-N 405.476 1.948 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2c(Br)cc3nc(O)oc3c2Cl)C1 1657270983 PMVSNCNNLWJTGF-UHFFFAOYSA-N 407.629 1.318 30 10 HDEE COCC[C@@H](CN1CCN(c2nccnc2C#N)C[C@@H]1C)NC(=O)OC(C)(C)C 1659019141 FEVMMKVHHGLVRV-HOTGVXAUSA-N 404.515 1.789 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1 1663862380 CIOMINGUNVOULB-KOLCDFICSA-N 416.301 1.555 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OCC 1663905073 HKYVYTCMKMTWLL-INIZCTEOSA-N 414.911 1.982 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)c(CNC(=O)CC)c1 1664904043 QTNFTCDLVMJRFF-UHFFFAOYSA-N 424.519 1.687 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1671150332 FMANFPQKENMTOK-ZDUSSCGKSA-N 424.972 1.976 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCCN2C(=O)NCCn1cnc(C#N)n1 1672542651 PRUQTZXYINFAIQ-AUUYWEPGSA-N 403.487 1.629 30 10 HDEE CCCOC(=O)C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)CC(C)C 1674204267 NKZJKCTZQJGZTH-AWEZNQCLSA-N 419.482 1.392 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCN(C)CC1 1678592056 LOWFVZKPQFVQPL-FQEVSTJZSA-N 414.506 1.548 30 10 HDEE C#CCN(C(=O)NCCNS(=O)(=O)Cc1ccon1)[C@H]1CCCc2ccccc21 1679964507 BJUNQVYZBJZTAA-IBGZPJMESA-N 416.503 1.816 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccccc3F)C2=O)cc1 1682022229 WGTPFIGNZCGBBR-ICSRJNTNSA-N 410.449 1.701 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)Cc3cccc(C#N)c3)C2)cc1 1682362266 CMBMIQLMAYYJPK-UHFFFAOYSA-N 414.487 1.781 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)C1 1685177170 MYAKIMHCOLXBLP-FUHWJXTLSA-N 408.340 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCCOC 1689824159 JIEYGFHLEKPFQP-HNNXBMFYSA-N 400.483 1.343 30 10 HDEE C#CCCCn1c(N2CCC(NC(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1689941372 NSEMBGLMKACRNJ-OAQYLSRUSA-N 419.526 1.075 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1689945703 IENAEEACCRURFJ-GOSISDBHSA-N 411.506 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCCn1cc(CO)nn1 1690005129 SOSXNGGRGLDMRC-UHFFFAOYSA-N 409.881 1.845 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOC(F)F 1694739357 OQMIKCAJXGLMAS-CYBMUJFWSA-N 406.441 1.847 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1696955025 DREOJRMEHUQSPG-UHFFFAOYSA-N 409.494 1.304 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(OC)CCOC1 1698134495 DKDDRPKKOZMULR-JXFKEZNVSA-N 407.515 1.938 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC(=O)NCC(F)(F)F 1705585716 JCUIHHKFGCLCPW-UHFFFAOYSA-N 419.407 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1705593379 AGDSENOQJMJROK-UHFFFAOYSA-N 410.503 1.219 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1705603090 NCVHUWLTRNCRDR-HNNXBMFYSA-N 416.507 1.352 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1705627593 LINQMCKQMUVQGJ-HNNXBMFYSA-N 418.885 1.443 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705659496 YLLWXOAAZNZURW-MRXNPFEDSA-N 411.535 1.571 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705693684 JORVQDCFBHQUGA-VQIMIIECSA-N 413.526 1.969 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1705701298 AHIDOGHPHDJMCB-AEFFLSMTSA-N 411.510 1.783 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705828156 FAPVZHPDELKCMO-UHFFFAOYSA-N 407.478 1.589 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(CCOC)CC1 1705895585 LSEDOMUUVVNNPV-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 1705901306 IGSMKHDSRQLGRE-QWHCGFSZSA-N 403.512 1.228 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705905489 XGNZMLKYZMEHIP-UHFFFAOYSA-N 423.521 1.061 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)C1 1705927166 RWPRVJUNFRVDHX-LJQANCHMSA-N 422.489 1.955 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1706590864 WJZMCJOCPZWOBQ-NRFANRHFSA-N 413.526 1.557 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1conc1COC 1722352196 GCXBRKVEEFXVEG-UHFFFAOYSA-N 405.418 1.846 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCn2ccnc2C1 1722356123 BKQRVPIMLSAWPO-OAHLLOKOSA-N 409.519 1.798 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(Cn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 1722364154 JPNHFHQIXRGGOW-FQEVSTJZSA-N 424.530 1.506 30 10 HDEE C=CCN(c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722645701 WTINZQKFAWXUHT-HXUWFJFHSA-N 418.519 1.658 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C)C1CC1 1722651889 VFMWNIOMOHUXHJ-UHFFFAOYSA-N 402.543 1.666 30 10 HDEE Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1726390574 SVWCGQPTQXOFPJ-YQVWRLOYSA-N 406.556 1.921 30 10 HDEE CCc1nc(CCn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)no1 1727459451 SYYSDOVXQGXQCD-FZKQIMNGSA-N 407.450 1.632 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1730072096 FUYNJSMJXGZHEN-IFXJQAMLSA-N 419.482 1.830 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2CCNC(=O)c2cc[nH]n2)cc1 1731184152 BKUNHMIUWCCVAQ-UHFFFAOYSA-N 408.491 1.523 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1740547522 WTDROQXOUGAHJW-INIZCTEOSA-N 410.503 1.808 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1740552683 XUKKTDLOHMGGOK-OAHLLOKOSA-N 419.489 1.435 30 10 HDEE C#CCCCn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1740589389 XKPIJUFBGNCADD-UHFFFAOYSA-N 419.489 1.586 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1740620033 BNTHZPXOTUJVSL-OAHLLOKOSA-N 420.564 1.201 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@](C)(O)CCOC 1740632839 PRBKDGFAXPTOIV-GOSISDBHSA-N 420.311 1.896 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1740668694 VXQCSXZPCHDXOW-KRWDZBQOSA-N 412.469 1.187 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C/C=C\c1ccccc1 1740686621 UPDAKKNSWCORAH-KWEPMOPPSA-N 414.531 1.980 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@@H]2C)CC1 1740834401 VJSHOAWIUXSUOX-KRWDZBQOSA-N 402.543 1.637 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1740901096 HIVVYVMSCAAXAL-SFHVURJKSA-N 412.462 1.319 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)NC)CC1 1740953469 HFEIKLXMXKQDIU-UHFFFAOYSA-N 417.901 1.362 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@H](C)C1 1747442515 DWUPUHGISCIYJS-HUUCEWRRSA-N 402.524 1.848 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCOC 1748655698 DSUNIYDERTWMQH-FOIQADDNSA-N 410.482 1.166 30 10 HDEE C#CCCCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1748763336 ZQAVTVQHHSNPBN-KRWDZBQOSA-N 424.505 1.883 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)Cc1ccccc1 1748765602 MYRYUSHJAMHDBZ-UHFFFAOYSA-N 417.535 1.491 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1748790849 NOPQNFJFNWLULC-INIZCTEOSA-N 423.583 1.139 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1749493818 KVHNWERRDJGMSK-SFHVURJKSA-N 406.446 1.955 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C(=O)NC 1749658077 LCMNATHCLVPGNI-LBPRGKRZSA-N 405.890 1.114 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1749669574 ITPRPTCRQYIUES-ZDUSSCGKSA-N 400.449 1.921 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1749672092 PTPORJGTQOEZNE-MRXNPFEDSA-N 418.567 1.714 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](COCC)C1 1749735476 USJJWCFAXMOBII-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccnc1C 1750008802 QIMXXFNGELLRFB-CVEARBPZSA-N 401.471 1.072 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1752311445 AWTCSCFGOACJCG-CQSZACIVSA-N 420.564 1.698 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCC(=O)N1 1760214218 GEIJGJDQCWTLTB-MRXNPFEDSA-N 407.474 1.704 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1760461632 BFCQLNZIDHMTRO-UHFFFAOYSA-N 407.496 1.453 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2ccn(C)n2)C1 1760536523 IBJVZEJKWXDOSD-RXVVDRJESA-N 416.526 1.688 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@@H]1CCOC1 1768575653 AEEGSMWKZUYDKO-DYESRHJHSA-N 413.478 1.759 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCCCCC2)CCO1 1771537111 IBJJQPHMZRHJJZ-SFHVURJKSA-N 409.494 1.862 30 10 HDEE CN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nn1C)C1CN(c2nccnc2C#N)C1 1849859006 SZWOBGJBUMFAOJ-UHFFFAOYSA-N 417.429 1.438 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC#CCN1CCCC1 1850298215 LUWAUDFWYOOXCE-AWEZNQCLSA-N 417.453 1.588 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1)[C@@H]1CCN(C)C1=O 1850863176 QDCALHJZRASHDS-XJKSGUPXSA-N 405.882 1.947 30 10 HDEE COc1cccc(C(=O)NCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1851177219 KZXKPORSKMOHTC-UHFFFAOYSA-N 423.473 1.057 30 10 HDEE COC(=O)C[C@@H](NC(=O)Cc1cc2c(cc1C#N)OCO2)c1ccc2c(c1)OCO2 1851260953 WHDIYMGXMARIHY-OAHLLOKOSA-N 410.382 1.979 30 10 HDEE C[C@H](COC(=O)C1CCN(c2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1852324918 SVRGICVYTSLWIK-MRXNPFEDSA-N 405.520 1.437 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2)NC1=O 1852727347 VONRNXXKCJNMST-VIFPVBQESA-N 406.801 1.153 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1853117295 KMNTTWMLEZLLDX-UHFFFAOYSA-N 402.520 1.411 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1853648381 OKJQYYXYKAGYPK-GOSISDBHSA-N 403.504 1.589 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3noc4ccc(F)cc34)[C@@H](C)C2=O)CC1=O 1853892626 FLKRRKYEKZGETA-KBPBESRZSA-N 414.437 1.561 30 10 HDEE C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853955528 YOGGSHQQRRGJQW-WMLDXEAASA-N 404.492 1.482 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN([C@@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065286 MTJPETKWUVJQQG-VQTJNVASSA-N 414.554 1.867 30 10 HDEE C[C@@H](Cn1cnc2c1CCCC2)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855006336 KWDPCTVKUJLAQZ-ROUUACIJSA-N 412.538 1.057 30 10 HDEE CC(C)n1nc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)ccc1=O 1855019906 ZJHLXRTWSZLFRJ-CQSZACIVSA-N 411.437 1.708 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855423924 IKTDYXBCYXZFDM-HKUYNNGSSA-N 423.579 1.749 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855634791 WDHRPXUWORZEDC-HNNXBMFYSA-N 405.476 1.385 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(N(C)C)nc2)CCN1CCOc1ccc(C#N)cc1 1855880194 UOEFRMCUPCSXGF-MRXNPFEDSA-N 407.474 1.771 30 10 HDEE C=C(C)CN1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C(=O)C1(C)C 1856121672 HJCSNPSYEDSXBP-UHFFFAOYSA-N 400.504 1.997 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN(C4CCC4)CC3)ccc21 1856575523 LDYGLWWPXBPREV-UHFFFAOYSA-N 416.503 1.265 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1856865859 BZGXLZJRBOMQPC-MRXNPFEDSA-N 405.520 1.025 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccnc(Br)c3)C(=O)C2)C1 1856872643 WVKGIXOPZKJHOP-HNNXBMFYSA-N 407.312 1.779 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccc(F)cc3)C2)CC1 1857025998 FKGFFJVGLRNRJR-QGZVFWFLSA-N 421.494 1.699 30 10 HDEE Cn1ccnc1[C@@H]1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857081998 HQTUQEIHWUUSGX-FUHWJXTLSA-N 406.490 1.945 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)CCOc3ccccc3)CC2=O)c1 1857439305 JUFKFLUVPUSPQF-UHFFFAOYSA-N 413.455 1.251 30 10 HDEE CC1(C)O[C@H]2[C@H](COCc3ccc(C#N)cc3)O[C@H](n3cnc4c(N)ncnc43)[C@H]2O1 1857788187 QAPIUSQGRWFEHC-VERUCKTNSA-N 422.445 1.914 30 10 HDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC2(CC1)OCCO2 1869929940 PLIYKFWCLWSTRF-HNNXBMFYSA-N 407.492 1.259 30 10 HDEE COc1cccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)c1 1870101002 LSUWSAJZRLTFNL-UHFFFAOYSA-N 415.413 1.555 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CN(CC)CCc2ccncc2)cc1=O 1870560754 KGTUSTYCXYMZIN-UHFFFAOYSA-N 424.545 1.652 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580438 RLVPPPDYVKGYOG-UHFFFAOYSA-N 400.458 1.848 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 1892018177 GHKKSFFAAHLNNW-HNNXBMFYSA-N 415.475 1.005 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985096782 WPKFATSGCIPCHU-PWNZVWSESA-N 410.320 1.811 30 10 HDEE C#CCOCCOCC[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074704366 GRUPDZSNLMEBMJ-YMGMXPECSA-N 411.476 1.171 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CC#N)CC(F)(F)F 2124620713 KEIDYBISYCPGCO-JTQLQIEISA-N 401.407 1.229 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccc(I)nn2)ccc1F 2173020638 DREBXAFSUIUOGO-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C 2174787435 UCVQTSIAJBFMRL-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE C[C@H](NS(=O)(=O)N1CC[C@H](O)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177635059 LUBMQEZZXGKGPS-AAEUAGOBSA-N 402.347 1.009 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)NCS(C)(=O)=O 2203124946 RWWZOHFTDKESBO-UHFFFAOYSA-N 402.347 1.499 30 10 HDEE C#C[C@@]1(C)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2221411228 CRWVAOSIXGYMKM-FQEVSTJZSA-N 404.488 1.507 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)C[C@H]2[C@H]1CO 2235549541 LLVGRCMEGHUIBO-IACUBPJLSA-N 413.521 1.468 30 10 HDEE Cc1sc(CNC(=O)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2237720701 LZMWDOLQAKIRES-UHFFFAOYSA-N 401.359 1.715 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H]3CCO[C@]3(C#N)C2)C1 2237787509 CXWMQRDUZIFMET-JZZBYWGLSA-N 413.474 1.944 30 10 HDEE C[C@@H]1C[C@@]1(NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674481 KAIPUUFOWXSYFE-MGNBDDOMSA-N 424.332 1.501 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2247801887 IUXZCPZFOBLIFE-ORQFMDKSSA-N 420.315 1.808 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247916972 HRNSVBDVFQNRIQ-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)CCN 2267707711 WGRDXVHZJREISK-XMMPIXPASA-N 408.376 1.101 30 10 HDEE C=CC[C@@]1(CN)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272172329 HLZOYYYLZNGRSI-PMACEKPBSA-N 423.510 1.710 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3(CO)CCNCC3)c2Cl)OC1(C)C 2281927984 HQNPQTOMEORJNR-UHFFFAOYSA-N 400.737 1.545 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CS(C)(=O)=O)c1C 2281993645 DXTGPVNATZACCK-SNVBAGLBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2282027922 WWBFMNIBZYQIRH-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1CCO 2282302315 VYIUPJOYXDBRIE-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)N(C)C 2282321796 BPFWVHNQTBAFNO-VWLOTQADSA-N 402.347 1.557 30 10 HDEE C[C@@H]1C[C@@H](O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282339996 ZWJDXLDSBPPEDK-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C 2282351842 GWJHHRARZTZXEC-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE CC(C)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493519 WQCNHNKXLOIDCN-UKRRQHHQSA-N 401.359 1.827 30 10 HDEE CC(C)(CN)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282510923 GPRVKVPUNCLNGL-UHFFFAOYSA-N 402.753 1.902 30 10 HDEE Cc1nc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282519493 LJBKRPMIGDEDJC-MWLCHTKSSA-N 400.331 1.056 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(CO)CCCC2)OC1(C)C 2282857683 LKWPECHCAHCXAH-UHFFFAOYSA-N 401.359 1.878 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282869201 YXEIEMZFNKLJHY-QGZVFWFLSA-N 401.359 1.378 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](CC(=O)O)C3)s2)OC1(C)C 2284403437 QMPRYMIQZFUPFZ-LLVKDONJSA-N 401.315 1.533 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2 2365196442 MBDIKBDYYUETRU-ZRGWGRIASA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367816442 ORUQEBCZQYVHJH-XAUUPUKJSA-N 400.541 1.340 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367829571 AVAXDGRHZFSCJZ-SPYBWZPUSA-N 400.541 1.340 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1S(C)(=O)=O 2368480455 MGDPOPGSEQEHKR-QWRGUYRKSA-N 400.331 1.056 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)c1ccc(N)cc1C#N 2381903020 HXHWHOQVCGPOLG-UHFFFAOYSA-N 403.205 1.279 30 10 HDEE CSc1ccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 254318978 RQMIKKMUSBFJTQ-UHFFFAOYSA-N 415.523 1.713 30 10 HDEE C[C@@H](C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1)n1cnc(C#N)n1 409631162 JDHILLNBGXJAGF-AWEZNQCLSA-N 404.434 1.744 30 10 HDEE CCC1(CC)CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCS1(=O)=O 428836728 VJKFNHMPNGRZAH-UHFFFAOYSA-N 417.535 1.966 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CCS1(=O)=O 433875252 PNUFWFKJKMMAOK-UHFFFAOYSA-N 407.311 1.518 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COCc2ccccc2)CC1 441564125 ILOILXTTZHLPOF-FQEVSTJZSA-N 415.515 1.442 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3cc(C#N)ccn3)CC2)c1 442000098 KOZUWTNRNOGGKF-UHFFFAOYSA-N 417.466 1.257 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCOc1ccc(C#N)cc1 444069706 JTELERQBIBSXDS-UHFFFAOYSA-N 409.489 1.166 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462089818 IVAHNHALVJYSKA-UHFFFAOYSA-N 410.482 1.157 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)C1=O 466616794 GCHDNOVRTWVXSV-OAHLLOKOSA-N 411.466 1.810 30 10 HDEE C=C(C)C[C@@H](C)C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=C)C)CC1 469108370 ZPXNSENMLREOCI-QZTJIDSGSA-N 413.584 1.781 30 10 HDEE CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CCN(c2ncccc2C#N)CC1 470292776 LHBAXNXBHAMKGI-UHFFFAOYSA-N 417.466 1.991 30 10 HDEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)Cc1csc(CC(=O)NC)n1 471381333 VMMXJRRGTLETGZ-UHFFFAOYSA-N 417.516 1.850 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COc1cccnc1C#N 477056188 JXYAWJSRAZTMPE-UHFFFAOYSA-N 400.460 1.562 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 480037228 GWFOJUIKKFZVDG-INIZCTEOSA-N 417.473 1.583 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F 480733286 AJIIWGOCCBZCDX-CYBMUJFWSA-N 400.439 1.400 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 487528731 VCSDBRQSPLBFHT-CQSZACIVSA-N 416.507 1.237 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@H](CO)c4ccccc43)C2=O)cc1 498328575 CGZXNZIWUHJCEH-QAPCUYQASA-N 404.426 1.886 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502698216 IDGLUWCXVFZXQM-IBGZPJMESA-N 409.508 1.651 30 10 HDEE CN(C)c1ncc(CN(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 503860408 NEWJBFYAXNLXEY-UHFFFAOYSA-N 410.297 1.997 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2=O)cc1 504196236 UAQRMVUJCQZVPF-LJQANCHMSA-N 401.426 1.580 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 504437374 ZAJUBMSCKFOXIF-QZTJIDSGSA-N 420.531 1.938 30 10 HDEE N#Cc1ccc(OC2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)cc1 507800640 DDCPLMAMYVZYHO-UHFFFAOYSA-N 422.485 1.582 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 511402923 YRJUCHBCWRWOBX-LJQANCHMSA-N 421.567 1.446 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(COc2ccccc2C#N)c1 514234465 OJZZQNSBMLWFAS-IBGZPJMESA-N 420.469 1.604 30 10 HDEE N#CC1(CS(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCC1 520419706 LOEPZUQMYKUJJQ-UHFFFAOYSA-N 408.499 1.478 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 521497397 IXEWJYMBWFJBRY-HNNXBMFYSA-N 407.474 1.739 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 534603023 BLPZYEHXJBTAEG-KRWDZBQOSA-N 409.511 1.284 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 545404451 YIBSUYHSLQEBGK-UHFFFAOYSA-N 401.492 1.212 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccnc3N3CCOCC3)CC2)n1 546175210 NYDABYXSYVEQAG-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE N#Cc1cnccc1N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 547824722 WBKLYPMYPAHYPO-UHFFFAOYSA-N 400.460 1.625 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2=O)cc1 572337985 FEFANODBZFNHRZ-HXUWFJFHSA-N 404.470 1.488 30 10 HDEE N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 615630649 CLMOUZUIUQCHLK-RDTXWAMCSA-N 409.439 1.042 30 10 HDEE C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1cc(C(C)(C)C)ccc1C 644653277 GOZWVRKLGPMCMD-UHFFFAOYSA-N 421.563 1.888 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 679532565 YLEZQIIXUHYYHM-UHFFFAOYSA-N 423.535 1.897 30 10 HDEE Cc1cc(C#CCN)cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703978844 GXWAEPRFIYGPLU-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE N#C[C@H]1CN(CN2C(=O)C(=O)N(C34CC5CC(CC(C5)C3)C4)C2=O)CCN1C1CC1 732673058 TXUFHFHGCKQAPL-CONPEVPGSA-N 411.506 1.376 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 733785319 VOQJTNGFTORTGZ-UHFFFAOYSA-N 415.471 1.860 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 743199417 ZNGDJNGDGGOAEP-SJLPKXTDSA-N 403.366 1.962 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 744384109 IJJFYHMAQYPWPI-GJZGRUSLSA-N 408.907 1.847 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 746327346 GKCMMXYBDPPUTO-ZMUWRREWSA-N 408.458 1.176 30 10 HDEE CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCN/C(O)=C3\N=CC=CC3=O)ccc2NC1=O 746330888 ABRYCFWRNUPWQA-NWARCBSFSA-N 412.446 1.890 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCc2nc3ccccc3oc2=O)C1 757587846 BTHRJAUGOWQTTE-XJKSGUPXSA-N 412.446 1.996 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCC2=O)cc1C 760543791 XQBHPDHNWHPTMZ-JDAKFOBDSA-N 410.474 1.689 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 762507141 BBBCDWPVCPCBRF-QGZVFWFLSA-N 402.520 1.718 30 10 HDEE COc1cc(N2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CC2)ncn1 763943045 ZVVZNYROIWGYJL-MRXNPFEDSA-N 415.457 1.844 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1noc(C2CC2)n1 765261322 RODVCTFQTXAQLX-AWEZNQCLSA-N 417.491 1.861 30 10 HDEE C[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)S(=O)(=O)C1CCOCC1 765662643 VQIPEHBICGCJCH-OAHLLOKOSA-N 405.520 1.626 30 10 HDEE N#CCCNC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768666950 YKBTWTDVDRLASW-UHFFFAOYSA-N 402.251 1.100 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)nc21 778111793 XVPOLWRFXJQGSG-UHFFFAOYSA-N 419.489 1.676 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H]1c1n[nH]c(-c2ccccc2)n1 780830130 XLMFCFQWXBEVCG-XZOUCZQKSA-N 421.461 1.845 30 10 HDEE C=CCN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 783571502 FIVOVRZGMJJRMU-ZDUSSCGKSA-N 424.523 1.518 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2C[C@@H](O)CC(F)(F)C2)c1 787403274 PWKPCSYKMPIHNP-SYPKWCCASA-N 416.450 1.733 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 788281253 LLKHSKPWAWURCF-UHFFFAOYSA-N 420.487 1.179 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790696225 MRLBOUFTIOYEJY-DLPLYFIVSA-N 420.510 1.827 30 10 HDEE C[C@@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)n1cnc(C#N)n1 791174453 ZNNVCHRQOHPIEK-VIFPVBQESA-N 405.212 1.966 30 10 HDEE CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N(CC(=O)O)Cc1cccc(C#N)c1 793986905 JCJMIZKKYJWBGJ-GOSISDBHSA-N 407.492 1.566 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 799078941 LYPZOJIFSYPUCN-HXUWFJFHSA-N 412.511 1.938 30 10 HDEE C=CC[C@@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 802464705 ADQKIVNYBRKBNJ-KBPBESRZSA-N 424.464 1.706 30 10 HDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2F)n1 807933416 ATDWVBLZEFAGRE-OAHLLOKOSA-N 420.445 1.894 30 10 HDEE Cn1c(N2CC[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3CC2)c(C#N)c(=O)n(C)c1=O 814375071 AONOMDWFMAXRFM-OKILXGFUSA-N 403.483 1.039 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(Cl)cc3C#N)C2)n1 856586258 FGKOSEYQXGUEEK-KRWDZBQOSA-N 410.883 1.915 30 10 HDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)OC(C)(C)C)n2N)cc1 1084504674 DPIVQDAWISVFQB-UHFFFAOYSA-N 406.468 1.658 30 10 HDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1116067007 CTAIVYBRBVDPSZ-LTFJSZEESA-N 405.476 1.526 30 10 HDEE COc1ccccc1-c1noc([C@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)n1 1116184133 BYSOPJNTQCSVGF-LCIOQVQZSA-N 411.418 1.839 30 10 HDEE C[S@@](=O)CCN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136899805 MNNXVTXEXHYREG-DEXQXJORSA-N 414.572 1.486 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccc(C(=O)OC)nc3)ccc2c1=O 1137140997 CFLSCHHRNCFNJU-UHFFFAOYSA-N 410.455 1.983 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1141381240 WWOWNKWMFWRDDY-UHFFFAOYSA-N 406.512 1.184 30 10 HDEE CCc1ccc(C#CC(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1 1147641018 HEZJAQQLGAVIEI-JOCHJYFZSA-N 402.491 1.715 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](CC(F)(F)F)C1 1148485572 MCPYGWOHCLADST-LBPRGKRZSA-N 419.425 1.685 30 10 HDEE C=CCOC[C@H](NC(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1)C(=O)OC 1155778787 AEJQMHRUNGHBSR-KRWDZBQOSA-N 418.490 1.909 30 10 HDEE CS(=O)(=O)c1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1F 1158048295 DUQICDFAASBKHN-UHFFFAOYSA-N 414.411 1.918 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)C1 1188569400 IYKHFUUJAKDQLK-SECBINFHSA-N 407.261 1.653 30 10 HDEE COC(=O)CCN(CC#N)[C@H](C)C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21 1197070123 SFEYFZYXABNVRO-LLVKDONJSA-N 412.368 1.768 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCOC[C@@]2(CO)C1 1198164338 HKFLMXBPFGSSLQ-UZLBHIALSA-N 404.536 1.256 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCNC(=O)O3)CC2)cc1 1198250343 BCMZVMTYTVXYHG-UHFFFAOYSA-N 422.507 1.990 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCCC(C)C)CC1 1226227728 PVFDLEOVHXBLQH-UHFFFAOYSA-N 422.551 1.406 30 10 HDEE COc1ccc(-c2nnc(C/N=C3/NS(=O)(=O)c4ccccc43)o2)c(OC)c1 1257877056 VPHRBQZMYLBEHG-UHFFFAOYSA-N 400.416 1.993 30 10 HDEE Cn1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c(I)n1 1275007818 RCINSMFGLUFIGA-UHFFFAOYSA-N 407.171 1.495 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286276402 REOYWLKCFRUUIF-RVHYNSKXSA-N 401.511 1.399 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1286301672 HFJLEVPEUMEKJY-FZKQIMNGSA-N 405.549 1.596 30 10 HDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1286356664 MNEJPQIFMVHOHC-IBGZPJMESA-N 411.506 1.839 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC1CC1 1286515389 IPANKPAMRWDRBW-NHCUHLMSSA-N 401.511 1.449 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1286700962 UAVYOXAGCBBJAJ-XHSDSOJGSA-N 413.544 1.191 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286714119 LBLGAIKFNOXUPF-QGZVFWFLSA-N 416.526 1.194 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccco1 1286788450 WQOSZLHHDMMLCX-CABCVRRESA-N 419.507 1.417 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)Nc3cccc(CC#N)n3)cc2[N+](=O)[O-])CC1 1288255400 DMWICYNYTHHEAZ-UHFFFAOYSA-N 408.418 1.977 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccco1)N1CCCC1)c1cc[nH]n1 1290049502 BURANRSRRLYJJO-OAHLLOKOSA-N 403.439 1.240 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@H]2C)c1 1290076644 CKRSCTKINKLKMT-CDXJDZJCSA-N 413.478 1.434 30 10 HDEE Cc1nccn1CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1290515000 CTQXZWMNNIDMKL-GDBMZVCRSA-N 405.528 1.514 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)Cc2cccc(F)c2)c1 1292689197 XBDGRDTZQKLLSA-UHFFFAOYSA-N 421.425 1.351 30 10 HDEE CN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1298155980 NVNMONZDHZBMEQ-XJKSGUPXSA-N 405.480 1.656 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1300270421 BWNDRHXQEXVCKL-XJKSGUPXSA-N 414.897 1.598 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1300365375 VKMXQGAFVBCKSI-SJORKVTESA-N 417.539 1.417 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1300579761 WJXKNWDYYLVDBX-INIZCTEOSA-N 417.535 1.050 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1300991848 WHOXWGRICDRLDY-KURKYZTESA-N 424.567 1.778 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCOC1 1301245970 NVDHVHYJAGYQHM-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1301270051 BCYOEBAWRBEBIF-LEWJYISDSA-N 403.527 1.952 30 10 HDEE COCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1301322781 SHJNSLYRMPBQSI-OAHLLOKOSA-N 419.507 1.556 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301491972 TUTWMQRLIGORJT-OAQYLSRUSA-N 410.478 1.587 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1301558284 DBGHMEVTUMMLHA-UHFFFAOYSA-N 407.474 1.970 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)CCc2cccc(C#N)c2)cc1 1301972453 ZJPBEEHPJNYOMO-UHFFFAOYSA-N 414.487 1.496 30 10 HDEE CC(C)Cc1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302972963 VGJNXBGOMMXRGG-ZCXUNETKSA-N 402.499 1.618 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1305205038 FIHLEDAXNFDONT-OAHLLOKOSA-N 410.478 1.480 30 10 HDEE C#CC1(O)CCN(CC(=O)N(C)CC(=O)Nc2ccc(Br)cc2C)CC1 1307962889 XYNNFORUZGYTID-UHFFFAOYSA-N 422.323 1.615 30 10 HDEE C=CCCOCCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1312418671 UYRGLORJVPMJLY-OAHLLOKOSA-N 411.499 1.631 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC(=O)NC)CCOC1 1314080292 COMCSVCXGLNKQM-OAQYLSRUSA-N 412.494 1.574 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)cc1 1354103782 FHYMCAYRHKGGFJ-ZIAGYGMSSA-N 419.425 1.746 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1358916229 DVCNFDPWAZKBAR-GASCZTMLSA-N 401.492 1.635 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1358941582 PRPKWRIZBRMFDB-QKKBWIMNSA-N 416.478 1.580 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1358960258 AKDKXUROCSOZSC-HNNXBMFYSA-N 419.576 1.806 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1359033918 WBTRVPZMMHZSAO-FQEVSTJZSA-N 401.511 1.707 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1359037307 FAHUUQAXQCXNQT-KRWDZBQOSA-N 410.488 1.870 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1359048192 IMQXDEHMUJGFGG-UHFFFAOYSA-N 418.567 1.231 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1359098658 DHOAWZBZYMRSIS-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1359178036 HIZQIHPOBKZINK-SFHVURJKSA-N 402.543 1.744 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1359238001 VLXOSZPEMSADAG-HNNXBMFYSA-N 413.448 1.954 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359295625 ILVPIZPFNHDRFQ-HNNXBMFYSA-N 415.885 1.115 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1359301524 AUVKGSSKXOSMSS-UHFFFAOYSA-N 402.524 1.603 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)C2CC2)C1 1359311871 KAALQZKQHASSQT-SFHVURJKSA-N 402.543 1.780 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CC[C@](O)(CC#N)C2)C1 1452256019 ZVVSZXPXANWFRW-IOMROCGXSA-N 401.463 1.680 30 10 HDEE Cn1c(=O)[nH]c(N(CCCNC(=O)OC(C)(C)C)Cc2ccccc2)c(C#N)c1=O 1458353894 IQIVSMDTDLVCTK-UHFFFAOYSA-N 413.478 1.867 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C[C@H](O)COc2ccccc2C#N)CCO1 1460561811 XDTCAXNVOVIIHP-LAUBAEHRSA-N 406.479 1.357 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)Cc2ccc(Cl)cc2)CC1 1460859417 CZQCBHMIINTEHA-FPOVZHCZSA-N 406.958 1.915 30 10 HDEE C#C[C@@H](NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCOCC1 1465804263 JJHGYDJSLKTLKX-RVKKMQEKSA-N 403.483 1.069 30 10 HDEE COc1nc(N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)ncc1Br 1466941261 BXEVJBZJLIJFMX-UHFFFAOYSA-N 418.255 1.868 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(F)cc1 1468327352 ALXIAOBCNUOZSH-INIZCTEOSA-N 423.853 1.347 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1469004916 NDVYGDUURQUABL-FQEVSTJZSA-N 402.454 1.834 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccc(C)cc3C)s2)CC1 1471450525 CSGVCLLTGCZXQU-UHFFFAOYSA-N 418.544 1.652 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 1475617909 ILJBUMUJSSDKCQ-UHFFFAOYSA-N 414.549 1.160 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)C1 1479314920 XJGYTCKNFLVDDC-RHSMWYFYSA-N 408.424 1.986 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)no1 1498328605 BSUSNZBBKWPMDX-NRFANRHFSA-N 420.477 1.707 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1503279488 GYMJTYHATAIEMC-WMLDXEAASA-N 414.507 1.291 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507517427 HJTFCTFLQSFMAN-VFNWGFHPSA-N 412.494 1.790 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507623941 ZNTFWNMZEGCCNZ-ZDUSSCGKSA-N 408.553 1.411 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1507634277 YGVCWBFYLYQAPI-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1507654769 SGUFTNYYHDSKHG-UHFFFAOYSA-N 421.501 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508144793 HARNVILOGFRUQU-OAHLLOKOSA-N 424.527 1.347 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1508419228 ODQVRTDHYGSGFP-LBPRGKRZSA-N 413.873 1.800 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1509693950 JZFNCGFTFACKFD-SFHVURJKSA-N 411.510 1.454 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1528605854 CEEZBJPUZOXUFY-GOSISDBHSA-N 402.495 1.492 30 10 HDEE C=CC(C)(C)CCNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1529930290 IASZVDOVYFGKIZ-AUUYWEPGSA-N 400.541 1.987 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1531527344 QPBOKCRCQNYSCV-UHFFFAOYSA-N 400.398 1.741 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(S(C)(=O)=O)CC1 1531590975 NAQSTROVNYLQEI-CQSZACIVSA-N 402.517 1.067 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1534262502 VHSIAWSEMBKOFH-CABCVRRESA-N 416.544 1.504 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537132938 GIJRCCSMWJXJBV-LJQANCHMSA-N 413.499 1.851 30 10 HDEE C=CCCOCCCCC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1537447652 JKOBHNRHWWRNLD-WUJZJPHMSA-N 401.525 1.765 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1539179963 URTIYXLCUBLXPS-SFHVURJKSA-N 407.430 1.769 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1C[C@H]1C 1539246756 XBTKIIQEPKAPID-AEFFLSMTSA-N 411.531 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1csc(COC)n1 1539331517 RUSPTQPSFQTYAT-UHFFFAOYSA-N 412.519 1.515 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539441850 WYDRUAQJACEWBM-SFHVURJKSA-N 424.530 1.007 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](OC)C2CC2)CC1 1539454415 NFLDMZQTINZGQQ-SFHVURJKSA-N 400.552 1.814 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCCO1 1539557103 ZALVVKXJTCFLTJ-LLGFUMIMSA-N 401.511 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N(C)C1CC1 1540865262 ZTXZSBXFEXINPX-UHFFFAOYSA-N 401.467 1.872 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OCC)C1 1540866861 CNKFTCPDPZHHIH-INIZCTEOSA-N 413.478 1.981 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1540890398 DRKKFWKRCOFQDJ-MSOLQXFVSA-N 419.526 1.202 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540902041 YNBBYYFFXOSTHO-INIZCTEOSA-N 406.512 1.068 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1540902249 DZXMMEWYFBRHQW-SQNIBIBYSA-N 424.567 1.921 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1544078097 AWYWTZLPXDKAHU-KURKYZTESA-N 405.564 1.451 30 10 HDEE C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1544428688 WUIFGVJWYVINTD-CVTQAYBASA-N 407.478 1.637 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1545096078 HAGFEAZCVDUPEQ-QINHECLXSA-N 416.505 1.620 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 1545142382 KXQXTBJAIOHKDX-WCQYABFASA-N 406.386 1.182 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1546587506 DIBLLWWZTYEDSV-XKQJLSEDSA-N 414.466 1.230 30 10 HDEE C=CCOC[C@@H](NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)C(=O)OC 1556375628 OEGWUFFHRBUKHI-ZIAGYGMSSA-N 402.513 1.589 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1557385451 DPHJBSNEZBOCON-JENIJYKNSA-N 408.376 1.861 30 10 HDEE N#Cc1cc(C(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cnc1C(F)(F)F 1558075539 BCETVORCRNAVSF-UHFFFAOYSA-N 410.377 1.818 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cnn1CCC#N 1565582446 WZFUFQQYLYJNMX-UHFFFAOYSA-N 400.527 1.558 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H](OC)c1ccccc1F)c1cc[nH]n1 1566870769 JYUOSRLORKXFFD-KZULUSFZSA-N 406.414 1.725 30 10 HDEE COC(OC)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1568074182 GIAHIJHUAVSNAU-KDOFPFPSSA-N 417.487 1.701 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(C#N)(C(=O)OC)CC3)ccc2c1=O 1568995119 KYDVMZVLVKJMQF-UHFFFAOYSA-N 412.471 1.790 30 10 HDEE C#CCN1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)CC1 1584975407 ZTUCXKJJBWAPBJ-UHFFFAOYSA-N 408.424 1.925 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)c(F)c1 1586831057 FXRTZLURUFWNFP-LBPRGKRZSA-N 407.389 1.617 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1 1588084279 PBYIQWVPVAWCQO-LBPRGKRZSA-N 411.940 1.724 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)CC(F)(F)F)CC1 1588811144 AUWIIEKUBOTGFV-INIZCTEOSA-N 414.476 1.421 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NCC=C)CC1 1588871656 LSUFIEPYHUYCHD-UHFFFAOYSA-N 422.533 1.531 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1594003533 CTHQRRYGQQEEMO-JYJNAYRXSA-N 413.906 1.096 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1595545512 YAUFPHZXOCTUSL-YNEHKIRRSA-N 403.405 1.240 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN2CCCO)C1 1595753807 IORVUIDQCVHVJM-GBESFXJTSA-N 405.543 1.758 30 10 HDEE CCNC(=O)CN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1596611241 IMSUPOHMTIYEJS-SFHVURJKSA-N 400.479 1.987 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CSCN1C(=O)c1ccc(OCC)cc1 1597216724 JXHHIGNACJTSRY-INIZCTEOSA-N 412.533 1.317 30 10 HDEE CC(C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1597847035 IHZBVXVMGAADBR-QLFBSQMISA-N 420.514 1.548 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@H]1CCCO1 1608405073 CIBHZDDZFIMLJB-DNVCBOLYSA-N 408.478 1.444 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](C)C(=O)OC(C)(C)C)ccc1F 1611242648 OIVJEEHHWMCIAJ-LBPRGKRZSA-N 400.472 1.998 30 10 HDEE N#CCc1ccsc1C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1616886088 PLHMATJCWDZGHG-UHFFFAOYSA-N 410.443 1.405 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N1CC[C@@](F)(C#N)C1 1617572517 FFAYGECEZDEYAD-OXQOHEQNSA-N 403.506 1.540 30 10 HDEE CC1CCN([C@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)c2cccs2)CC1 1618113175 CSJCLQVLWJUMRS-MRXNPFEDSA-N 415.519 1.862 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(OCc4ccccn4)cc3)C[C@H]1CS(=O)(=O)C2 1618171596 DLHWYYXOCKWKHJ-LAUBAEHRSA-N 411.483 1.600 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1618436776 NXDZSHKMQUGOKL-BONDDZEJSA-N 424.440 1.252 30 10 HDEE CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1(C)C 1619526087 PRBHZSHVAACCCC-XJKSGUPXSA-N 419.507 1.554 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)CCOC1 1620434911 JHHTXPTVRBOFAS-KVCCMIQPSA-N 420.554 1.255 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1622146066 KBLGRKDUAQSJBZ-KURKYZTESA-N 410.492 1.287 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1)C1CCOCC1 1622379487 AOTBUTUGRFPACZ-GOSISDBHSA-N 414.549 1.935 30 10 HDEE C#CC[C@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1623659386 QRBFOGPJMRTSHJ-OAHLLOKOSA-N 420.535 1.394 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)C(=O)OC(C)(C)C 1624520728 WQPKDRVGNYJWQW-MRXNPFEDSA-N 402.495 1.793 30 10 HDEE Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1624937593 VJULQSNUQCFRLU-UHFFFAOYSA-N 413.283 1.108 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1626677314 PTIGRGLUVSJJBZ-KRWDZBQOSA-N 402.882 1.630 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)S(=O)(=O)[C@@H](CC)C2)s1 1627096395 IQUZCVIZTFAQDO-JSGCOSHPSA-N 420.578 1.179 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H](C)NC(=O)OC(C)(C)C 1627136736 NMTMUTNUDNXUTQ-XTDOFWJNSA-N 413.540 1.569 30 10 HDEE C#CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 1627335076 RYPUWOHNVJTLOL-CHWSQXEVSA-N 423.482 1.367 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)c2ncco2)cc1 1627600125 GFRIOYFLQJSTFU-GOSISDBHSA-N 410.455 1.925 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@H]1CCCO1 1634469019 CIKAVCJBXMRVQA-MYZZLAAOSA-N 401.511 1.588 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(-c3nnco3)cc2)cc1S(=O)(=O)NCC#N 1634730346 IYWZCAVMXGHJKR-UHFFFAOYSA-N 411.443 1.777 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 1635631031 TYSVVDHOLNPSEF-OAHLLOKOSA-N 412.512 1.051 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1F 1638047969 DDHHUKIEOAFDDM-KRWDZBQOSA-N 408.389 1.244 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C2)nc1 1638910849 JZMHMJUDMRRWEA-INIZCTEOSA-N 403.508 1.314 30 10 HDEE O=C(CCc1ccc(N2CCCS2(=O)=O)cc1)NCc1ccc(C(=O)NO)cc1 1639590821 ABMMLTNCGCYQDS-UHFFFAOYSA-N 417.487 1.595 30 10 HDEE COC[C@@]1(CO)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1640896091 IDGQUNOMSJUOQG-NRFANRHFSA-N 414.462 1.880 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1643652465 WBGIBHPGJCMTGA-QGZVFWFLSA-N 415.446 1.509 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4ccnn4C)CC3)n[nH]2)c1C 1643913554 DCSLZPLYMMAXNH-UHFFFAOYSA-N 409.494 1.933 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1644220047 WIDQXALUGMTOOO-AEGPPILISA-N 401.220 1.038 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCC[C@@H](CO)[C@H]2CO)nnc1-c1ccco1 1646107583 VHMUZKDRHANZDK-LSDHHAIUSA-N 406.508 1.798 30 10 HDEE CN(CC(=O)N1CCc2c(sc(N)c2C#N)C1)C1=NS(=O)(=O)c2ccccc21 1646250602 HMOFJHJPVZHGFL-UHFFFAOYSA-N 415.500 1.168 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)C1 1651802003 PWJVRMJGKISUQO-HNNXBMFYSA-N 411.506 1.858 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO)C(=O)OC(C)(C)C 1653901749 JQJYGZNMINRONK-OAHLLOKOSA-N 411.499 1.297 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1656277875 BBFBCJNALRSNDC-UHFFFAOYSA-N 400.460 1.687 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2C)c1 1662622953 WKSYYDWHXOUOAC-UHFFFAOYSA-N 414.487 1.987 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 1680829367 GCFHEBCECPGGQO-MCNSAMFCSA-N 416.547 1.477 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1687205982 KAHOXYZUFCYLSM-INIZCTEOSA-N 409.508 1.140 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1689930125 LBHIEPBIRIIORJ-IAGOWNOFSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689989475 FVBZPSQKUFRJGG-ROUUACIJSA-N 424.567 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1Cc1cccs1 1690669538 IIBMEGHDDLUZNS-GOEBONIOSA-N 414.535 1.804 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1690737992 ATCXIUBPNLDFGI-UHFFFAOYSA-N 408.553 1.341 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C1 1696941600 FVABELRYOFLLFV-IRXDYDNUSA-N 400.458 1.764 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705515789 MMAPAUWAILCJQL-IAGOWNOFSA-N 414.510 1.796 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1705538003 XNSNLKNMXQIYKU-JOCHJYFZSA-N 409.490 1.996 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1705559374 ZGGRVUZAEWCISS-INIZCTEOSA-N 421.567 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)nc1 1705621285 BGERGMPXHVTIJN-UHFFFAOYSA-N 412.538 1.942 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NCCC)CC1 1705636856 AEPXLWSCBOPYCN-UHFFFAOYSA-N 417.517 1.775 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1705665069 JHMYAHQMIGXLOC-UZLBHIALSA-N 422.551 1.686 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705699539 IJRLQEKTUJWFCH-RXYDEIHYSA-N 419.526 1.451 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1705717974 WZVCSXZZIQKNCT-HLIPFELVSA-N 424.567 1.921 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1705739668 MTDBNFWBAUUSRW-UHFFFAOYSA-N 404.559 1.771 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CCC)OC 1705843658 KTQOEAWUQQMXMG-CABCVRRESA-N 401.533 1.048 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1705874122 FNMKBBSOLIGCPD-IBGZPJMESA-N 402.543 1.515 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705884648 UXPYJQGVUPVTLT-QGZVFWFLSA-N 422.493 1.701 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N2CCOCC2)C1 1705925806 UTFHFSLUMNDADY-IAGOWNOFSA-N 405.499 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H]1C 1705936618 VBJIGQJTFNIOLU-SOUVJXGZSA-N 416.569 1.016 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1710451569 CVADOVBWTXSHLP-NHCUHLMSSA-N 419.526 1.866 30 10 HDEE COC[C@@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712137906 GLDDWHAJKPMQDZ-FUHWJXTLSA-N 411.510 1.658 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 1712286100 TVCDKFKBYGWLTE-QRFQSNJMSA-N 424.505 1.535 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CCO1 1712288555 RGRKGXOTYNRPNL-MRXNPFEDSA-N 407.421 1.950 30 10 HDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712824426 VAZKGFJAAIVDJY-UHFFFAOYSA-N 420.564 1.651 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1722294042 FPZQDKDRMGCRQA-SJLPKXTDSA-N 424.530 1.872 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)C)n1 1722346065 UJWCGHFAKOUSKB-ZDUSSCGKSA-N 410.569 1.780 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@H]1CCC(=O)N1 1722355910 PXEYTJRLAISRGM-CQSZACIVSA-N 418.295 1.968 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722358880 GNAYLMNPGFJYRU-GJZGRUSLSA-N 410.471 1.458 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1722408029 WEYMYBPDCPQPDK-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1722448350 SMMYSGMTJWQEEE-MSOLQXFVSA-N 417.554 1.809 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1722474096 LGJPXNWFASYSAW-ZTFGCOKTSA-N 410.565 1.040 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722532099 BSXOVUSKFOSIGL-DLBZAZTESA-N 418.542 1.563 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722537586 OMFSJKYSPMQWRZ-ZWKOTPCHSA-N 407.515 1.454 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOc2ccccc21 1723619707 AXUVDTKGAGZDJW-HZPDHXFCSA-N 410.478 1.711 30 10 HDEE CC1(C)CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1724030960 KXYMCXIGODSAEP-FBMGVBCBSA-N 400.483 1.687 30 10 HDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1726626848 FGXXFDOMFJZHFB-HNNXBMFYSA-N 418.523 1.466 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1740600932 PYWKFGNFJTYNAB-CQSZACIVSA-N 422.580 1.078 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1740660937 JUSPNYAMTFTWFP-CALCHBBNSA-N 404.559 1.764 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)CC1 1740702103 ILNWAFLOIYZCAQ-HNNXBMFYSA-N 409.481 1.966 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1741434771 NHJMDNARCSSVGD-VHEBQXMUSA-N 412.498 1.373 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1741801460 ASWMGMMWEBAXCJ-ZBFHGGJFSA-N 422.555 1.540 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1741804665 HFMPIKLUUYJGGD-KSFYIVLOSA-N 408.506 1.973 30 10 HDEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1741930118 DJFUHIYJAJVCQI-CRAIPNDOSA-N 411.576 1.359 30 10 HDEE C#CCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764511 QLBRJGNVVFZOSF-SIKLNZKXSA-N 412.538 1.909 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748804080 CPSXWRCLZGBLBC-MOPGFXCFSA-N 401.536 1.516 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748818195 XEHTWURSGRAPMN-IAGOWNOFSA-N 418.494 1.596 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OCC)C(C)C)CC1 1748991257 UWNUCOWBTHYBQT-MSOLQXFVSA-N 402.543 1.436 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCOCCS(C)(=O)=O)CC1 1749297961 MRJJIMUBFLSERT-UHFFFAOYSA-N 405.524 1.866 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1749462307 SSSTZDAYRBPIBA-IBGZPJMESA-N 401.540 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC 1749666437 MAJVESNEQQJPEG-UHFFFAOYSA-N 409.494 1.823 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCSCC1 1749952900 GGMSETGOSPLWEL-YJBOKZPZSA-N 412.535 1.493 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1751093029 HZWDBNMWCSONTD-HOTGVXAUSA-N 407.482 1.874 30 10 HDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1751812155 GJAPUCMUDDFVOT-IBGZPJMESA-N 418.461 1.663 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760185392 WOJDIRZHNVIGHL-INIZCTEOSA-N 415.519 1.272 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760189563 VILNQFDBXAXXGZ-OKZBNKHCSA-N 422.551 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ncn(C)n1 1760222962 FIVIJWMSVQBKTR-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1760249682 QIIMKVNWVSRVHD-RTBURBONSA-N 403.527 1.517 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760279513 BBXCMYYWLHPDPG-GJZGRUSLSA-N 415.523 1.671 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760354767 MLDJOKDRUDZVMD-MRXNPFEDSA-N 422.555 1.394 30 10 HDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C(=O)NC)C1 1760437812 OQOZJUSYLPGHIK-MRXNPFEDSA-N 423.477 1.511 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnc2C)CCOC1 1765878863 AIMGYIPHJFVKGD-VQTJNVASSA-N 417.489 1.967 30 10 HDEE CCOCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1Cc1nnn(C)n1 1766352320 DYDYCYIECOSYNW-GOSISDBHSA-N 421.509 1.717 30 10 HDEE COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769210879 IHKDTPCJWGXKFI-CABCVRRESA-N 412.494 1.990 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1769835493 KJTYGILKSIKLEX-QFIPXVFZSA-N 410.522 1.746 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1770051756 PSSIWLXRBIGQDQ-CWQOZTLDSA-N 407.515 1.934 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770365573 FQQZFGNXZSVAAY-WWOZWPLTSA-N 422.514 1.996 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1771082055 VXNOBHDYFLYUOQ-UHFFFAOYSA-N 407.478 1.946 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCOC2)CCO1 1771539248 ROQBEEKZDSNXKM-RTBURBONSA-N 412.494 1.436 30 10 HDEE CN(CC#CCNS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)Cc1ccccc1 1849280705 ICQTWSHLEPDZLC-UHFFFAOYSA-N 423.538 1.936 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCO[C@@H](C#N)C1 1850775081 DFDAJDOFCYZCCT-BLLLJJGKSA-N 417.890 1.923 30 10 HDEE N#Cc1cnn(-c2ncccc2C(F)(F)F)c1NC(=O)[C@@H]1CCn2cnnc2C1 1853115467 XRTNWLDENKTDOP-SNVBAGLBSA-N 402.340 1.950 30 10 HDEE N#CCc1ccc(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)nc1 1853333817 WUHAFVBTXPCKPY-UHFFFAOYSA-N 403.442 1.202 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4cc(C)no4)CC3)CC2=O)CC1=O 1853961114 XJABLOXGGCYHLP-QZTJIDSGSA-N 414.506 1.605 30 10 HDEE COc1ccc(S(=O)(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1854021968 BFCDXSPUHCQHPT-HNNXBMFYSA-N 419.503 1.222 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)n(C)n1 1854393679 OIGWZTSQPFVFBU-LJQANCHMSA-N 406.490 1.159 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cnc3ccccn3c2=O)C(=O)C12CCCC2 1854454662 RTFVMELTDRISFN-INIZCTEOSA-N 407.474 1.984 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)[C@H](C)C2=O)cc1C#N 1854848939 WMDWJSYETDNZCL-GFCCVEGCSA-N 417.409 1.822 30 10 HDEE C=CCN1C[C@H](C(=O)OCCSCc2cc(=O)n3cc(C)ccc3n2)CC1=O 1854971286 GXFXWVWIPWINMP-OAHLLOKOSA-N 401.488 1.814 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(C[C@@H]3COCCO3)C3(CCCC3)C2=O)cc1 1855648011 BHAMIXJBSSJUFF-HXUWFJFHSA-N 411.502 1.890 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1 1856095620 IYKAJMVEWBODKN-HNNXBMFYSA-N 419.503 1.104 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@H](C)S(=O)(=O)CC3)CC2=O)cc1C#N 1856096577 LZIMZRWXPFYCBT-JKSUJKDBSA-N 403.504 1.364 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CCCC#N)C2(CCCCC2)C1=O 1856517568 DYXMMWYOHOZAPI-KRWDZBQOSA-N 424.567 1.478 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3C)C2)CC1=O 1856819707 ILLFRBFJDNMHFZ-QGZVFWFLSA-N 423.510 1.534 30 10 HDEE CCOc1cc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)ccn1 1857109918 HWRMRCSEYUPYEY-KRWDZBQOSA-N 407.430 1.251 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc3c(c2)OCO3)C1)[C@@H]1CCN(C)C1=O 1857263866 KASMKMJFDMZAIQ-DLBZAZTESA-N 413.474 1.052 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CC=C 1870541776 INRIBBMYSRWKHJ-LJQANCHMSA-N 401.507 1.882 30 10 HDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540791 DGGOKQJIIOXXJB-UHFFFAOYSA-N 413.526 1.605 30 10 HDEE C=CCN1C(=O)C(NCCN2CCOCC2)=C(c2cccc(Br)c2)C1=O 1873057106 JPFBWFRQJGIQAN-UHFFFAOYSA-N 420.307 1.637 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985102996 OQHWMLPXHUKLMC-STQMWFEESA-N 404.276 1.628 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)OCc3ccccc3)C2)c(N)c1 2044245886 OKWWJMCFBCTISR-INIZCTEOSA-N 400.460 1.830 30 10 HDEE COC1(C#N)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089784146 FXXUMGFEFQYVIR-UHFFFAOYSA-N 419.503 1.787 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cn1 2118168347 SEMUAKKSJCULAB-MSOLQXFVSA-N 416.459 1.315 30 10 HDEE CC1(C)OB([C@H]2CCCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)OC1(C)C 2154439695 JJMDHERKDWYNLV-ZDUSSCGKSA-N 407.363 1.452 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)N1CCOCC1 2157045409 JNEFIZZEJQTVEU-UHFFFAOYSA-N 402.347 1.056 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162915864 NTAKXLKBOGEJFC-SANMLTNESA-N 414.509 1.546 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCC2)C1 2174782628 SGMLJPPBROCDOA-OAHLLOKOSA-N 401.529 1.704 30 10 HDEE N#Cc1cc(F)cc(S(=O)(=O)N=c2[nH]ccnc2I)c1 2178133244 CIHUSVDXYPGLGW-UHFFFAOYSA-N 404.164 1.315 30 10 HDEE C=CCN(C)S(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186601147 ABHNGYYWBYYXHJ-GFCCVEGCSA-N 401.363 1.798 30 10 HDEE C[C@@H](NC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2203125072 CVWLURXLTPIHIH-ZJUUUORDSA-N 403.335 1.193 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2243109130 XPXHYKXIYGLORD-CABCVRRESA-N 405.304 1.773 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1Cc1ccccc1 2247911302 VBJYZGXXUNFIHM-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1 2247929430 MXAWHSAQYOGHIC-UHFFFAOYSA-N 411.315 1.072 30 10 HDEE Cn1ncc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)c1B1OC(C)(C)C(C)(C)O1 2255824725 NIPBQBFQHXGPLJ-ROUUACIJSA-N 422.338 1.580 30 10 HDEE C#C[C@@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258185379 QXQFJMUWYFXXHN-SJORKVTESA-N 408.476 1.430 30 10 HDEE CCc1nn(C)c(C(=O)NCC2CC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2281984154 AXXKLFUKZMZJKD-UHFFFAOYSA-N 405.304 1.165 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCNC2CC2)OC1(C)C 2282492020 PKSUQZPQOIKSMQ-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@H]3CO)ccc2Cl)OC1(C)C 2282495795 RDYIKCVSINUJKG-NEPJUHHUSA-N 401.721 1.546 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282498763 JDIVAODRTADZDJ-CANCMXDXSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H](F)C(F)(F)F)OC1(C)C 2282505501 FFAFUQDXDUNEQR-VIFPVBQESA-N 418.243 1.762 30 10 HDEE CC(C)[C@@](C)(CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505885 KLHGLBQDJLYIEM-QGZVFWFLSA-N 402.391 1.840 30 10 HDEE COCCNC(=O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282615038 MIHVKEAGOGSXNS-UHFFFAOYSA-N 402.709 1.193 30 10 HDEE CN[C@@H](C)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282830415 UCWGXWOFWHCEMN-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282838876 VUHNJADMBHTTMU-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE CN(C)CCCONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282843379 MJMHSWDFIXJDJS-UHFFFAOYSA-N 424.781 1.862 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCOC[C@@H]2C(F)F)OC1(C)C 2282860044 UWOPPJKLMFCKIY-LLVKDONJSA-N 409.285 1.702 30 10 HDEE CC(C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2282870014 LIFWOCZNKHLVDE-AWEZNQCLSA-N 400.375 1.856 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CSC2(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282884432 NXMRHWDIEGBYIF-NSHDSACASA-N 401.363 1.200 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284392841 CAHPJCDRTKIEJT-GHMZBOCLSA-N 401.315 1.416 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](F)[C@@H](C(=O)O)C2)OC1(C)C 2284410700 DILQIYPUJZRYSC-GXSJLCMTSA-N 405.278 1.091 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCCCC1 2287304030 NXMCWENWGWMZBX-UHFFFAOYSA-N 401.529 1.704 30 10 HDEE COC(=O)c1[nH]c(C)c(C(O)=C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1C 2296125554 HFIYSYXYQLMIOY-KRWDZBQOSA-N 415.446 1.994 30 10 HDEE C[C@H](C#CC(=O)Nc1ncnc2c1nc(Br)n2C)NC(=O)OC(C)(C)C 2341155673 SFJIAZRVPUVXLM-SECBINFHSA-N 423.271 1.981 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363692804 BHUWAXPBAZZDHR-CVEARBPZSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#Cc1nc(CC)cs1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363884948 AEWQARXTXVILML-GJZGRUSLSA-N 415.581 1.973 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCNC(=O)OC(C)(C)C 2365202558 OGFONSOFEZRUAC-DNVCBOLYSA-N 404.573 1.847 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCCCNC(=O)OC(C)(C)C 2365206195 GDOAYLJRKDBWPG-DNVCBOLYSA-N 404.573 1.847 30 10 HDEE CC1(C)[C@H](N)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2380428295 OKANBJMXQSEYPE-CYBMUJFWSA-N 400.375 1.689 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)cc1 8659845 YKVHGXWFWUPWQZ-WOJGMQOQSA-N 405.436 1.932 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC(=O)N2CCCC2)CC1 29389012 GDLFUXZYIRYNOB-HNNXBMFYSA-N 415.563 1.675 30 10 HDEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)NCc1ccco1 59884748 IAYKPALDVXRROW-UFWORHAWSA-N 416.423 1.348 30 10 HDEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1/C(=N\NC(=N)N)CC(C)(C)C2 101109212 XZMWPPZLFNWFQV-OYKKKHCWSA-N 404.515 1.200 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc(Cc3ccc(F)cc3)s2)CC1 116723425 CGEREWFYVCWRBJ-UHFFFAOYSA-N 402.495 1.933 30 10 HDEE CCC/C(C)=N/Nc1nnc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)[nH]1 253567932 KQVRHVXWAWIMPJ-KGENOOAVSA-N 424.575 1.154 30 10 HDEE CC(=O)N[C@@H](CO)C(=NNC(=S)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 254452562 SPFNKTXDCNWMQO-INIZCTEOSA-N 401.448 1.783 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2nc(C#N)ccc2B2OC(C)(C)C(C)(C)O2)C1 309851336 ARVNFFYZEPGSQV-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 409699981 IWAVMKSMHFUYOA-GWCFXTLKSA-N 408.340 1.531 30 10 HDEE Cc1cc(N2CCC[C@@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C2)n(C)n1 443929628 QFZQRYNBDNGKEY-CYBMUJFWSA-N 404.452 1.456 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 467287128 DQJKYWYOKPQTTR-VIPLHTEESA-N 416.547 1.730 30 10 HDEE CCN(CC)S(=O)(=O)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 468918954 HGLYQJAFKQWGHL-OAHLLOKOSA-N 410.521 1.070 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ccn1 474193977 ZAWSEBUREXORJE-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE COc1cnccc1N1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 478438303 SGIZFZDWPDSNMU-UHFFFAOYSA-N 414.487 1.225 30 10 HDEE N#Cc1ncn(CCNC(=O)NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 478834658 PEOLEBLQJDHDHI-UHFFFAOYSA-N 408.388 1.532 30 10 HDEE COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 482496012 QXWKVSCDDGNYTC-UGSOOPFHSA-N 405.451 1.868 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 483597490 ZJVQXFYUIANHMX-VNQPRFMTSA-N 423.491 1.947 30 10 HDEE Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508718817 XIKXNJQROUWZFL-UHFFFAOYSA-N 408.491 1.400 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508801654 MNOJNHUCUQZWTE-ZDUSSCGKSA-N 409.537 1.327 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508918983 OOHZQSRWIZWKKF-AWEZNQCLSA-N 424.548 1.406 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1S(=O)(=O)NCC#N 514444942 QUYCHTAJPNDYAI-FUHWJXTLSA-N 421.519 1.094 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 515934084 ZEKNDNLBOZNJDD-IFMALSPDSA-N 413.543 1.805 30 10 HDEE N#CC1(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCOCC1 522343983 VDEMPAOKZIGMEU-UHFFFAOYSA-N 406.236 1.624 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 524246469 RTDWOOJXCGVBRE-HNNXBMFYSA-N 419.459 1.615 30 10 HDEE Cc1cc(C)nc(SC2=C(N(C)CCO)C(=O)N(c3ccccc3C#N)C2=O)n1 526700170 SFAZRGAEOIEIMV-UHFFFAOYSA-N 409.471 1.766 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)co1 535162564 RGSCHFDUEIPESM-CQSZACIVSA-N 420.472 1.213 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCN3CCOC[C@@H]3C2)cc1 543553859 JRPNQAPMIUZUNF-IBGZPJMESA-N 423.517 1.929 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)CC2)n1 545462024 FNHRBFHAYOXFQX-QGZVFWFLSA-N 403.442 1.121 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc21 586315798 PUMXHAYOGDBVKE-MMEWPQADSA-N 417.487 1.290 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c(F)c1 586858668 DKCUDXFHRJCTIW-CQSZACIVSA-N 401.829 1.757 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 586860772 QIAHPXBAULQMQP-UHFFFAOYSA-N 419.460 1.920 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)[C@H]1CCS(=O)(=O)C1 729332380 OQMUCYAWEWHRMQ-INIZCTEOSA-N 402.520 1.475 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1 732155466 BRMKBFQGUQBOEO-MPHHAOFMSA-N 412.446 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732454638 HZUHJTFQPQBYTE-VUAZUDAXSA-N 421.498 1.602 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)s1 732647369 GZOLXWAKLXXXHX-WBVHZDCISA-N 422.576 1.656 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc1 732647646 JAJQVKAGVBPOSP-PKOBYXMFSA-N 416.547 1.595 30 10 HDEE Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C(=O)N1CCCC1 732705880 IJWAIXYTPXLCHP-QGZVFWFLSA-N 409.490 1.368 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc12 742073557 AULPTAUOGGFISU-JSGCOSHPSA-N 400.508 1.260 30 10 HDEE C=C(C)CN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 746922542 FMNRRQIMSSRGKZ-UHFFFAOYSA-N 411.418 1.670 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)ccc1C 747496682 PBOPQDSZCPFOQN-UHFFFAOYSA-N 416.459 1.038 30 10 HDEE Cc1ccc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC[C@H]2CCOC2)c1 755590151 QORVPKLRSYAPPE-YWBAYFEHSA-N 413.474 1.943 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 756888485 WOSSFPBQVVXGGZ-SJORKVTESA-N 416.526 1.507 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1cc2ccccc2n1CC#N 768021657 WNRZJEOMEASOGQ-UHFFFAOYSA-N 404.429 1.527 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 774237453 SVYYWNFZAKMYJZ-DFQSSKMNSA-N 403.548 1.729 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCc1ccc(OCC(F)(F)F)nc1 775402307 CSALQDCJYGUACF-MSUUIHNZSA-N 412.368 1.598 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O 780180554 SQSWEUSRYBAJEI-OAQYLSRUSA-N 414.414 1.657 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 780334061 FPOHRNSOOUJYSR-APSNUPSMSA-N 416.547 1.757 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@H](O)c2ccc(C#N)cc2)c1 780963422 BFPAOMVXIVWYAI-LJQANCHMSA-N 408.418 1.243 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785665287 WPOMDJRGXDMHJG-HNNXBMFYSA-N 421.881 1.466 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(N3C[C@H](C)O[C@@H](C)C3)ccn2)n1 790105433 IJZCTVRZQJXHNB-ROUUACIJSA-N 411.506 1.814 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(S(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790583945 WEMUJMUXZPLVIY-GOSISDBHSA-N 401.529 1.612 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2c(F)cccc2CC)c1=O 794647770 UMMLIBKLOCDETI-MRXNPFEDSA-N 424.497 1.743 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 801795820 DQWARBBEAOEDHV-WBVHZDCISA-N 405.524 1.125 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 810646655 SKHYBTATJAEEEO-FGTMMUONSA-N 424.563 1.919 30 10 HDEE C#CCONC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 812786204 CJEUKBXKJCEHSB-UHFFFAOYSA-N 402.428 1.943 30 10 HDEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 916893566 CSSFRHISOUNBIF-ZRKSEFCZSA-N 412.446 1.843 30 10 HDEE CCCOc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 917770091 WCILBLBHGCABRV-UHFFFAOYSA-N 424.526 1.057 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)CN1CCCCS1(=O)=O 1126956007 FJFBZYHTYSBRCK-UHFFFAOYSA-N 403.254 1.660 30 10 HDEE N#CCNC(=O)CNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1128801707 NUWQWCOBTNYKDY-LCYFTJDESA-N 406.464 1.173 30 10 HDEE CN(C)c1cc(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1134429114 OLWPJXOMHRLPLA-BLLLJJGKSA-N 412.309 1.525 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@H](OC)C(F)(F)F)s1 1138254842 OPPVLIHVLIOMIG-NSHDSACASA-N 400.444 1.839 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC(C)(C)S(C)(=O)=O)CC1 1142364643 KGAXJOUUUHGXNM-UHFFFAOYSA-N 400.541 1.966 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)NCC(=O)c1ccc(OC)cc1 1146248362 YUCHBCYJKJQTGE-UHFFFAOYSA-N 416.474 1.578 30 10 HDEE CC(C)(C)OC(=O)N1CCc2occc2[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1150000474 LEVFEZSVUBMJRA-QGZVFWFLSA-N 402.451 1.698 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)cc1 1156734924 NDQMUDSPLJQMSH-SFHVURJKSA-N 412.421 1.253 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1158223284 HQLFTQMPMZIJGE-LLVKDONJSA-N 420.516 1.060 30 10 HDEE C=CC1(CC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 1166752101 QUCGMQXWZZXBIQ-CQSZACIVSA-N 401.529 1.292 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1169750896 BCZQNSMOAWDLCG-CHWSQXEVSA-N 409.936 1.692 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 1177347211 XPIVAERELYQCKF-WHOFXGATSA-N 419.425 1.841 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4c(sc(N)c4C#N)C3)C2=O)cc1 1179869978 YLWZXUVVUBBXDQ-OAQYLSRUSA-N 423.498 1.862 30 10 HDEE N#C[C@@]12CN(Cc3csc(-c4ccc(C(N)=O)cc4)n3)C[C@H]1CS(=O)(=O)C2 1198071421 JHMRLTLQZSHAQC-KSSFIOAISA-N 402.501 1.279 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C)c(C#N)c2)C1 1248579870 VZJWFCRHHVCXJE-GOSISDBHSA-N 408.524 1.449 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 1251874721 RCHPSTCFXWPURY-UHFFFAOYSA-N 423.498 1.760 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCN4CCSC[C@@H]34)CC2)c1C#N 1255385682 KOKILQRSFHSXHF-CVEARBPZSA-N 406.581 1.735 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nn(C)cc2C#N)cc1 1265616424 DINNMYXPZWZRPY-UHFFFAOYSA-N 403.464 1.534 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1286296486 PJYKGMYNFFRJJD-OCCSQVGLSA-N 417.482 1.114 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1286360435 GSYYQIMATILOLD-ZDUSSCGKSA-N 408.553 1.513 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1286372191 OUOOBHNYXHTBJH-QGZVFWFLSA-N 403.508 1.568 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286608604 SEYHUDZDRQNUBM-INIZCTEOSA-N 418.542 1.932 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCSC[C@@H]1C 1286814628 UYNZAHKTFBLAQG-AWEZNQCLSA-N 413.569 1.057 30 10 HDEE CC(C)(C)C1CC(n2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1287015342 UEDXKKNLEXBQLT-LBDPXKHJSA-N 407.540 1.906 30 10 HDEE COCCn1cc(C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)cn1 1294273829 SYFKHDVOAOGKSQ-UHFFFAOYSA-N 407.478 1.840 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCOC)CCOC1 1296591669 LYSAYGFKWKFWRN-FQEVSTJZSA-N 407.515 1.723 30 10 HDEE C#CCC1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCCC1 1296664503 KLHDNWSKNLHSSW-UHFFFAOYSA-N 409.474 1.938 30 10 HDEE Cc1noc(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1300139848 ATDHSAXNRYLDPE-UHFFFAOYSA-N 405.480 1.636 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1300308819 QGKRNVFYOFBBPG-YRNRMSPPSA-N 402.520 1.546 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)CN(C)C 1300456220 YBYBSLWVNHZVDA-UHFFFAOYSA-N 407.522 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300526978 RWSAZGUPFHCJKF-HXUWFJFHSA-N 421.549 1.299 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1300602362 COXDRGSFPVKSNN-LJQANCHMSA-N 410.540 1.215 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1300664421 BGHVSPNVNYBSFA-HXUWFJFHSA-N 412.538 1.783 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCSCC)CC1 1300684797 ACUPSORJIZTFMO-FQEVSTJZSA-N 407.584 1.829 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2nccc(OCC)n2)CC1 1300989488 CDBITTIIGWPOSR-UHFFFAOYSA-N 401.515 1.949 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300989776 QTZPTBISNVTHSB-OALUTQOASA-N 416.526 1.785 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(=O)NCC)CCC2)CC1 1301066475 PZVZRAVOMIJPQN-HNNXBMFYSA-N 424.571 1.351 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@]3(CCSC3)C2)CC1 1307867355 PTHZPQSJLSFKQM-APWZRJJASA-N 406.577 1.665 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1309654130 JNMDTZFDUCYNLX-OAHLLOKOSA-N 416.540 1.993 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H]1c1ccccc1F 1312662441 SYCXBFYRYJHZMR-GOEBONIOSA-N 419.457 1.468 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H](C)O1 1315929113 BNRXZVBGQBXEPD-KBXCAEBGSA-N 408.466 1.234 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1316533653 YZRXYLOQGHBGRR-UHFFFAOYSA-N 413.526 1.560 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1323715350 LZPYPDMBVVTTDN-OAHLLOKOSA-N 414.911 1.778 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)[C@H](OC)C2)CCOCC1 1342907582 YXNDJNGJPKKKCJ-USYVTKNRSA-N 400.519 1.751 30 10 HDEE N#C[C@H]1CN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)CCN1C1CC1 1352305481 QBAQVSGCCFSCRH-AWEZNQCLSA-N 409.412 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1358889321 AFRGCJWLUQXGKA-KSZLIROESA-N 407.584 1.903 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1358929428 ZVGAEZNCUVLFDY-MSOLQXFVSA-N 424.567 1.616 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C1CCCCC1 1358938718 IEWAJHOEPVPBRO-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2ccn(C)n2)CC1 1359032007 XUOITSIFRSJHOA-UHFFFAOYSA-N 405.506 1.685 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(C(N)=O)C1 1359077547 FKSLVXOJHVMKIR-LRDDRELGSA-N 416.320 1.612 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359228420 CFUNBFNRUFQHGN-SFHVURJKSA-N 411.510 1.413 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1360487782 RQJZIDFDALLFLD-MAUKXSAKSA-N 412.494 1.712 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1360765927 AQQORFIZAZLXBU-UHFFFAOYSA-N 420.517 1.693 30 10 HDEE COC(=O)c1cn([C@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)nn1 1361289339 UCZNAWYIAGEFPA-NSHDSACASA-N 404.224 1.786 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1443538827 UGHZIENIIWXMBT-NERIXLHVSA-N 406.483 1.522 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](CN(C)CC3CC3)C2)s1 1445291113 BIRVFWWFCPOKAO-INIZCTEOSA-N 411.593 1.945 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1449431598 ZWUBZBOIGUXBGP-HNNXBMFYSA-N 421.494 1.708 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccc(OC)cc3)s2)CC1 1455116381 YIVAZNCEQPGPGG-UHFFFAOYSA-N 420.516 1.044 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)cc2)C1 1455265909 BUIXENRXZYUDRW-UHFFFAOYSA-N 414.418 1.867 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2)nc1 1456059472 HORXQVUQSNRVOA-LPHOPBHVSA-N 417.473 1.476 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2[C@H]3Cc4c(Cl)cccc4[C@H]32)c1 1457976635 YLJDIYHURGJAHP-KFKAGJAMSA-N 401.875 1.944 30 10 HDEE C=CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CCOCC1 1461425438 OMIKJSDFGZNLKI-UHFFFAOYSA-N 408.476 1.333 30 10 HDEE CCN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CC(=O)NC1=O 1464567408 CPFDFQNSQZRRME-AWEZNQCLSA-N 405.252 1.021 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1464845150 OKSOXOIKLWCMMA-UHFFFAOYSA-N 420.554 1.306 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1Br 1467382223 DKKWBCLUYILIIO-AAEUAGOBSA-N 400.298 1.768 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)cc1S(=O)(=O)NCC#N 1468116415 MQMOQWXXXZGTMA-DOTOQJQBSA-N 417.491 1.181 30 10 HDEE N#Cc1ncn(CC(=O)N2CC[C@H](Cc3cccc(I)c3)C2)n1 1468278934 BZMHLPYYEYQNQH-CYBMUJFWSA-N 421.242 1.846 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1 1470254099 WCSDKGULVVMYBP-RTBURBONSA-N 405.520 1.891 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1471105994 GCIVIRIPEVLNOX-FOIQADDNSA-N 423.473 1.516 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)NCCOC(F)(F)C(F)(F)F)C1 1471239830 WRSBKEDFLDSNHI-VIFPVBQESA-N 401.254 1.868 30 10 HDEE C#CC1(F)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1471608847 MUUQXTMGSOCPQI-CYBMUJFWSA-N 400.497 1.471 30 10 HDEE Cc1nn(C)c(C)c1[C@H](O)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 1475783778 AMHGGLWSRFXQQN-CQSZACIVSA-N 413.297 1.683 30 10 HDEE C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)NCCn1cc(C#N)c(O)nc1=O 1477567690 GXXDMHOWBRGPDL-AWEZNQCLSA-N 413.478 1.885 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1 1479312037 DLNHCLBZWJUWMA-GOSISDBHSA-N 414.506 1.269 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)c1nnc(O)n1C 1479375346 IDKYOEODZHFHPO-CYBMUJFWSA-N 406.450 1.533 30 10 HDEE COCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1504646134 AAVMYBXGOQGIHR-QAPCUYQASA-N 417.535 1.971 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504697780 RAMLDFICMKJUTP-RMYFCYLKSA-N 411.466 1.272 30 10 HDEE COCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1504788279 LPVCDCGSHREVAS-BBRMVZONSA-N 402.496 1.147 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)OC 1504886842 OHUQYLXSPIOTDJ-UHFFFAOYSA-N 404.471 1.797 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1OC 1505113862 CKJISEIEOJTGCG-FGTMMUONSA-N 424.505 1.581 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507582195 DJCQKZUJAZRZQZ-QGZVFWFLSA-N 410.526 1.185 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cnnn1 1507649143 ZDPHGWUYZWEAMW-UHFFFAOYSA-N 412.461 1.280 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)N[C@@H](C)CC 1507769975 FFKYNDPCELPUDV-HRAATJIYSA-N 400.527 1.697 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507843283 KUGPAZVZJKDUJM-UHFFFAOYSA-N 404.559 1.785 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1507967632 ITELDNDGHKCOKN-LSDHHAIUSA-N 407.544 1.593 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1507988759 VOBNSBSYCMVYMP-HRAATJIYSA-N 403.527 2.000 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCN1CCOCC1(C)C 1508039335 IEOKSIKKHWSDIJ-UHFFFAOYSA-N 401.515 1.485 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508062077 KDGMBPTTZRFOHO-AWEZNQCLSA-N 414.535 1.951 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)CCC(=O)NC)cc1 1508100181 GBSPWMLNPJDJQQ-QGZVFWFLSA-N 412.494 1.415 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CCO1 1508377027 OBKLIQXXFXSAQH-YLJYHZDGSA-N 424.505 1.585 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1508463396 CFDFFQBLZVHUQQ-JOCHJYFZSA-N 423.521 1.681 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1516865111 WJGBATHLXFZQKE-AJXXGZDZSA-N 415.475 1.699 30 10 HDEE COc1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1O 1518245187 ZXNJAQLPCZCFHC-VHEBQXMUSA-N 412.450 1.464 30 10 HDEE COCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1519394096 KVHHQTZMHHUENU-UHFFFAOYSA-N 412.494 1.685 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1525913298 IFLJSECHLMVNQY-UHFFFAOYSA-N 411.462 1.855 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1531180795 GFOPFJQBDXEXPO-UHFFFAOYSA-N 422.503 1.125 30 10 HDEE Cc1c(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cnn1CCC#N 1536039728 TXTYRSBZAKLVSB-HNNXBMFYSA-N 407.430 1.242 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1539165848 PFPOIXDQRAHXPG-UHFFFAOYSA-N 402.476 1.387 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539369580 MZBJDZRRWJWLJC-KURKYZTESA-N 421.567 1.446 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCC(=O)N(CC)CC)CC1 1539446954 MDMBYWZQRZTFME-GOSISDBHSA-N 402.543 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2ccco2)CC1 1539481334 LFCRUYDAQFRYSF-UHFFFAOYSA-N 424.505 1.534 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539701770 QLDYZWJGBKJBQP-QGZVFWFLSA-N 411.510 1.916 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1540043823 IYHOBXAFNGTMER-LJQANCHMSA-N 412.538 1.653 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCc1ccc(S(N)(=O)=O)s1 1540350359 KZDGKBMLFMSKSW-UHFFFAOYSA-N 414.306 1.889 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1540862244 WHBWPXAPLOTBSN-HOCLYGCPSA-N 403.462 1.444 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ncnn2C(C)(C)C)C1 1540889047 CYSDBMMZHGBHFR-OAHLLOKOSA-N 409.498 1.911 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1541088406 HKAZEGFLDPSNAE-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1555318979 UXUGPWQDZRESRF-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1555736736 AIGDGNLHKLZPJH-JWWIWJDOSA-N 405.499 1.282 30 10 HDEE C#CC1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 1560026771 GEAWRBYBLHNIQZ-IRXDYDNUSA-N 403.498 1.516 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cnn2cc(Br)cnc12 1561181907 HDBWSRPVVRFVNJ-UHFFFAOYSA-N 403.258 1.232 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 1561802936 BFDWLRMONWDNQK-DGCLKSJQSA-N 403.302 1.776 30 10 HDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1564707859 JYDCRXFGVBDCJZ-AWEZNQCLSA-N 407.352 1.870 30 10 HDEE C=C(C)CONC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1565008417 OKEGXAFSQRFGRY-UHFFFAOYSA-N 406.302 1.843 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1566016016 ZFJHVOMBCWOHSW-SJKOYZFVSA-N 405.252 1.358 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1566978778 PTSSFSWCQDFKFE-VGSWGCGISA-N 421.538 1.875 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCS3(=O)=O)C2)C1 1569097753 OMMQPNJSFYNHHK-LPRCSBTHSA-N 411.524 1.467 30 10 HDEE COCCN(CC#N)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1570082633 BIYQJYPROBATHI-UHFFFAOYSA-N 413.805 1.636 30 10 HDEE C=C(CC)CNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1585006631 CBHSWBAQDVNQSL-UHFFFAOYSA-N 407.492 1.852 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(Nc4cccc(C#N)c4)C3)C2=O)cc1 1586074155 IHFXRKBXIJNCNK-QHCPKHFHSA-N 417.469 1.957 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O)C1CCOCC1 1586730817 WLUQRQSUKOWGIQ-ZWKOTPCHSA-N 400.500 1.949 30 10 HDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1587457279 WPTIUSIEWRGIGI-MRXNPFEDSA-N 416.459 1.136 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CCC=CO1 1587932290 OCDUCUAXISTFCW-QGZVFWFLSA-N 415.519 1.958 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1588117803 RDWCXJDCLRQXAS-UHFFFAOYSA-N 412.515 1.266 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1589600155 WYRJNRRSUWLVPP-NRFANRHFSA-N 421.542 1.582 30 10 HDEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1593899930 DYTNXJUZCIZXJX-QGZVFWFLSA-N 419.913 1.776 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594096358 AWZXRTZXXRWOSB-OAHLLOKOSA-N 422.511 1.046 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1595890315 PEEDWMONUNOHAC-MRXNPFEDSA-N 400.508 1.824 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)c1C#N 1609507433 MXGNPSKZGUCKHI-UONOGXRCSA-N 405.499 1.899 30 10 HDEE C[C@@H]1Cn2nc(C(=O)NC3CCN(CC#N)CC3)cc2CN1C(=O)OC(C)(C)C 1610410864 IUPRLJKWHAIEKI-CQSZACIVSA-N 402.499 1.740 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1611307576 DAOXBSJVJSAGBM-DOMZBBRYSA-N 420.420 1.910 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CCO2)cc1 1611670903 BILUQAISJRENBW-HKBOAZHASA-N 409.486 1.899 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1618271459 RPPKLFVMKIFMKU-UZLBHIALSA-N 403.506 1.936 30 10 HDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1F 1619271273 AQYPPRSIZUICRA-QWHCGFSZSA-N 424.502 1.823 30 10 HDEE C=CCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)OCC 1624304415 VTJBSPRQYGONCR-CYBMUJFWSA-N 416.521 1.397 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1624436961 DIJDCYSPZDZVEN-CABCVRRESA-N 413.515 1.637 30 10 HDEE C=CCOC[C@H](NC(=O)c1cccc(CS(=O)(=O)NC(C)(C)C)c1)C(=O)OC 1626204424 DLOWXSNGCUCAIS-INIZCTEOSA-N 412.508 1.379 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1626966895 VOLVVFMGYDSZEN-SFHVURJKSA-N 420.554 1.307 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1627412856 UVHLAXLQJOKWIP-LSDHHAIUSA-N 416.565 1.731 30 10 HDEE C=CC[S@@](=O)(=NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1627430040 KTCJESXVJMTFBP-SANMLTNESA-N 403.485 1.965 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1628998276 XFAXILWAXHMSBD-UHFFFAOYSA-N 418.544 1.924 30 10 HDEE CN(C)c1ccc2c(c1)OCCN2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1629931872 VVBGIPFEGMJBKA-UHFFFAOYSA-N 400.460 1.328 30 10 HDEE COC(=O)CSCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1632942745 ILTYDYCIWWIJLV-SHYRYGCCSA-N 411.524 1.796 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634589254 XLFOGOLNWHTOJW-SFHVURJKSA-N 400.442 1.885 30 10 HDEE C=CC1(CC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1636299765 PLWXKCMSUQMIER-AWEZNQCLSA-N 402.513 1.072 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cncc(N4CCCC4=O)c3)C2=O)cc1 1639974195 YFUXYPSLSDJPND-IBGZPJMESA-N 403.442 1.611 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1 1640924254 ISFSJKZHTPXMBV-AWEZNQCLSA-N 410.492 1.166 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1642069607 HWBMHQPHKJOZOH-OAHLLOKOSA-N 402.472 1.723 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646148034 PNRNEADQOMMOGR-AWEZNQCLSA-N 419.482 1.362 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1648274099 LMZHLGPMOOXHAS-ULQDDVLXSA-N 420.535 1.157 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3C[C@@H]3c3ccccc3OC(F)(F)F)C2)c(=O)nc1O 1648790491 KQVLMYPMYHIXMO-KGLIPLIRSA-N 420.347 1.906 30 10 HDEE C#CCN(CC#CC)CC(=O)N(CCCC)c1c(O)nc(=O)n(CC(C)C)c1N 1652586842 FTJZXKCHAWYGNS-UHFFFAOYSA-N 401.511 1.279 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1653072547 DNYSCTQAXOSDDE-ILZDJORESA-N 405.495 1.577 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN([S@](C)(=N)=O)CC2)n(Cc2ccco2)c1C 1654721242 ARJYGWIKVQWFPQ-LJAQVGFWSA-N 418.523 1.766 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1nc(-c2ccccn2)n[nH]1 1655331361 CVIXMYIXBOSIAJ-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)OCC 1665797336 UYJIEDUTKROCRJ-LBPRGKRZSA-N 404.872 1.380 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)c1 1666589727 HUNLEVJMTFQCHJ-OAHLLOKOSA-N 418.475 1.399 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)n1 1673369800 KVODWLKHVBROAY-AWEZNQCLSA-N 404.389 1.558 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1 1678453150 GMFVXJRFYBFQNK-LJQANCHMSA-N 401.507 1.720 30 10 HDEE N#Cc1csc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)n1 1682007923 CDMRDHFPCJRYAL-UHFFFAOYSA-N 401.420 1.071 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1689825817 CZIPPOHFVJUYBI-KBPBESRZSA-N 418.523 1.353 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1690103495 DOQPKXMJKWMLNF-KRWDZBQOSA-N 417.535 1.212 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1690265045 JEJWZLFLBHWBNR-QZTJIDSGSA-N 423.583 1.841 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690319356 KHMNDUWQKZCGPF-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690469051 BWVCYZVIFXOWGE-OAQYLSRUSA-N 413.526 1.966 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690622267 LSBLCYVHHZPWFO-INIZCTEOSA-N 411.572 1.856 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1690674079 OLZKDAWUPOLVFT-UHFFFAOYSA-N 421.505 1.321 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1690973074 SMQIYLLQUCLUTC-IBGZPJMESA-N 419.493 1.776 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1691008562 JOLIKZGHMCGNQM-HNNXBMFYSA-N 402.524 1.775 30 10 HDEE CCCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1695434062 ZSBGVNNCEGQMGJ-DLBZAZTESA-N 403.531 1.410 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1705549617 BXJSSAZGOMDNSZ-INIZCTEOSA-N 405.506 1.603 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1705570617 PCCXDOZOZIMVHM-AWEZNQCLSA-N 407.565 1.729 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1705581335 YXSCTPKDKYDNHA-KRWDZBQOSA-N 405.458 1.512 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NC(C)C)CC1 1705640708 BMHDAWCQTWUJLM-UHFFFAOYSA-N 415.567 1.304 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2cccs2)N(C)C)CC1 1705643278 ZEFOAXSGPTXNEZ-KRWDZBQOSA-N 402.568 1.934 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CC(N)=O)C1 1705739803 RXNWKXAHBCXYLP-MRXNPFEDSA-N 404.515 1.085 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705751130 AVCJESAGHWDYDA-KRWDZBQOSA-N 415.929 1.835 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1705812092 QXQNOIYXPMQIHS-KGLIPLIRSA-N 408.532 1.325 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(C)C)C1 1705937474 UTUCWXCPUKMPKD-GOSISDBHSA-N 419.551 1.726 30 10 HDEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1707690642 DXBRZLYDOBOZRM-HXUWFJFHSA-N 413.503 1.523 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCS(C)(=O)=O)cs1 1707751935 JAFGCXCOJPRTCZ-UHFFFAOYSA-N 408.553 1.809 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1709404494 UMSAEDFNRZIUDD-LIMHQNJXSA-N 407.478 1.909 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CCC#N)CC1CC1 1711019618 DVDQWEJZQVJQEU-INIZCTEOSA-N 410.544 1.194 30 10 HDEE COC[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1712147640 FPUBTUATQDEJER-HZPDHXFCSA-N 414.514 1.440 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1722382090 WWLFPDMGFZVNRB-LJQANCHMSA-N 418.501 1.247 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703756 GVOFWFGCUKMAIR-DYESRHJHSA-N 421.542 1.626 30 10 HDEE COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1730702331 KKIMJVFJDBEZNQ-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1740558544 WMAGDXVLGULUQU-QGZVFWFLSA-N 419.551 1.823 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740596184 WCXCKNICFYRLCN-IEBWSBKVSA-N 412.490 1.939 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1740626918 WXGXPSWLGGFIMR-IBGZPJMESA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1CCc2ccccc2C1 1740629602 STBPFYIRHRGMRS-UHFFFAOYSA-N 404.518 1.547 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740718214 KBACGJXPXBVKIL-DOTOQJQBSA-N 418.567 1.579 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740722311 DLWISMOVKSGQTB-KZNAEPCWSA-N 405.568 1.653 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C1[C@H]2CCC[C@H]12 1740995091 ZMMXDXQGMXWKEA-GJZGRUSLSA-N 407.540 1.236 30 10 HDEE Cc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)n(C)n1 1742667495 CHENXJAGCNUEHY-UHFFFAOYSA-N 418.505 1.999 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1746369494 SHWXLEVENUUVJI-KNBMTAEXSA-N 414.514 1.792 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CCC1 1748788744 DKTIFCWPKSOCLB-KRWDZBQOSA-N 416.503 1.827 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1748790255 HCSBQOVCIITZEK-LJAQVGFWSA-N 413.551 1.433 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1748819146 LLRIRYAXSGBFSE-KRWDZBQOSA-N 420.510 1.671 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1748821818 VOHOIDXSMGBRBH-KRWDZBQOSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1748829688 HESWTAYBHKYFHA-DHNNRRLOSA-N 412.534 1.944 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1)OC 1749328394 OTXXZXIZYQPEMD-NQIIRXRSSA-N 413.478 1.474 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1749461916 LMZLQLFRQAIQBJ-AWEZNQCLSA-N 404.496 1.515 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1749489077 RCQVMYDWPVCKBV-GOSISDBHSA-N 410.522 1.753 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](NC(=O)CC)C1 1749721961 XQSABRFLMUDDCM-CVEARBPZSA-N 411.572 1.887 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCOCCCO)cc1 1750382228 DUEOSFQJMBOMHY-UHFFFAOYSA-N 410.522 1.748 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](N3CCCC3)C2)n1Cc1ccc(C#N)o1 1750958397 NPOZLYHRNBCQTR-MRXNPFEDSA-N 411.510 1.994 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760099032 BWLWHBUZLATBDY-KSFYIVLOSA-N 413.522 1.832 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1760214668 XLIHFKLQCCYVKN-RBUKOAKNSA-N 422.485 1.719 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cscc2C)CC1 1760261201 ICURICPCGPYYSX-INIZCTEOSA-N 419.576 1.354 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(OC)c(OC)c2)CC1 1760265574 DWROXIVBPVNFIB-UHFFFAOYSA-N 411.506 1.812 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760523907 KSXDJSNHBGQYIN-UHFFFAOYSA-N 410.526 1.663 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC2CCOCC2)CC1 1760527224 PJWLTDRGRYFLEL-UHFFFAOYSA-N 402.543 1.081 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccn2)CC1 1760562501 LNTJJHLBYMZQKS-UHFFFAOYSA-N 411.539 1.714 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1766157549 FHTCLRATEOXNRZ-MSOLQXFVSA-N 420.583 1.795 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](OC)C2)CC1=O 1771125878 FMDDWIRIPLLTHX-IEBWSBKVSA-N 424.505 1.537 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CC2CCCC2)nnc1N1CCCOCC1 1771564408 IAZHKXZBQNRKDF-FMQUCBEESA-N 414.510 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1772659910 QVJTXFVNIVLINV-INIZCTEOSA-N 421.910 1.928 30 10 HDEE O=C([C@@H](F)CC(F)(F)F)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1848670184 BTASKNAMFPUXLR-QMMMGPOBSA-N 403.320 1.208 30 10 HDEE C[C@H](C(=O)N1CCC(COc2cccc(C#N)n2)CC1)n1nnc2ccccc2c1=O 1849829544 DKWDHINSYUPZSL-OAHLLOKOSA-N 418.457 1.937 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4nnnn4-c4ccccc4)CC3)cnc21 1851603332 JPWBBUZSXXENMA-UHFFFAOYSA-N 413.445 1.383 30 10 HDEE Cn1nccc1[C@H]1C[C@@H]1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851635139 MKHHMIHZZBVKKU-STQMWFEESA-N 420.926 1.871 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)C(=O)C2)C1 1853729331 MROQVKNBDHFOIB-GOSISDBHSA-N 419.547 1.413 30 10 HDEE COCCN(Cc1cccn1C)[C@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854227075 UEANAODVCKOFMD-FQEVSTJZSA-N 409.490 1.962 30 10 HDEE CCN(CCn1ccnn1)C[C@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1854618892 WHMXHGSMVIPGSF-HXUWFJFHSA-N 408.506 1.870 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1854639049 VYJUEGINSILGKJ-JKSUJKDBSA-N 402.520 1.443 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCCC1=O 1855154423 FLNOPQNCVJZBFN-AWEZNQCLSA-N 402.882 1.701 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)C(=O)C1 1855354025 AGEBVPHXVCOGAW-SFHVURJKSA-N 421.519 1.095 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1=O 1855423901 IDHUFHYGNYUAIB-QFBILLFUSA-N 410.478 1.599 30 10 HDEE N#CCCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1 1855552795 KKNKWKFFXKRFTB-UHFFFAOYSA-N 418.519 1.062 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855724070 UCBJJQXHZDDXTC-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE CS(=O)(=O)N1CCC[C@H]1C(=O)N1C(=O)CCN(CCCC#N)c2ccccc21 1856036918 QFBNJTVOTZHTTK-KRWDZBQOSA-N 404.492 1.484 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(OC)c(F)c3)[C@@H](C)C2=O)CC1=O 1856303726 INWMJPQLUVRQAL-HOCLYGCPSA-N 403.454 1.428 30 10 HDEE CC(C)c1ocnc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856410398 FPULGXIZFXHAEL-CQSZACIVSA-N 409.446 1.817 30 10 HDEE COc1ccnc(C(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)c1 1856468604 PGNKDSHICBRLIC-LJQANCHMSA-N 405.458 1.978 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(F)cc3)C2)CC1 1857042233 UNSCGKMRVUAHPP-MRXNPFEDSA-N 407.467 1.309 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@@H]1CCN(C)C1=O 1857053808 VTJJMVVBJAUDDZ-VQTJNVASSA-N 408.502 1.585 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C2=O)C1 1857103080 BNAAGRILBLQKQA-CZUORRHYSA-N 404.417 1.969 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CC(Oc4ccccc4)C3)C2=O)CC1=O 1857251996 VMKZBBRHKDZLJU-FXAWDEMLSA-N 411.502 1.692 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCN(C(=O)COc3cccnn3)C2=O)CC1 1857308365 IGXQTMRWWLWMAQ-GOSISDBHSA-N 405.458 1.540 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)c1 1870143142 ZBJWFHFIXBZNFS-GFCCVEGCSA-N 416.397 1.771 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@H]2C1 1939107500 GLOOLRHKXGOTKD-HOTGVXAUSA-N 401.326 1.810 30 10 HDEE C#CCn1ncc(N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(Br)c1=O 2043963218 PMIXVBLLGOBVCA-YABSGUDNSA-N 409.284 1.916 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074711224 RJGQVBZWQVKQDB-OLRZCDJHSA-N 408.476 1.315 30 10 HDEE C#CCO[C@@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089706129 XHITZDGJZTZTEY-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)Nc2ccc(I)cc2N)C1 2164598774 MVLXOASCJUPSKJ-SECBINFHSA-N 406.249 1.766 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)CCC#N 2174779078 FISOKDPHGYCYRW-ZIAGYGMSSA-N 403.501 1.398 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC(F)(F)C1 2184235720 XJUYJQSXGZEGLO-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE C[C@H](NS(=O)(=O)N1CCCCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186623324 HMCOKADWLXBRDW-LBPRGKRZSA-N 401.363 1.824 30 10 HDEE CC1(C)OB(c2ccc(CN3CCC[C@H](NS(C)(=O)=O)C3)s2)OC1(C)C 2235426977 IWFCWQLSDIAWGU-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE CCOC(=O)NS(=O)(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2241221137 ZDDHAVJYHBLUGD-UHFFFAOYSA-N 405.669 1.437 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2243369619 FBQAQJJAEFOYIQ-CYBMUJFWSA-N 408.260 1.860 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003289 WEZLXWDBMQVIBO-UHFFFAOYSA-N 421.347 1.584 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829681 TWPJENAQPHBJPG-APWZRJJASA-N 424.354 1.970 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267176832 GALMRXMEKTWGGF-LLVKDONJSA-N 411.695 1.398 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CCS(=O)CC2)OC1(C)C 2267726905 RQDZAGHPAOUORI-UHFFFAOYSA-N 405.372 1.237 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)c2)OC1(C)C 2282425842 UXCLVOMVZDXBAA-JTQLQIEISA-N 415.264 1.639 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282494869 DPDRUKUQRKGOGM-CHWSQXEVSA-N 400.375 1.537 30 10 HDEE C[C@H]1CCS[C@@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830340 SDDCCGNOHZMIEL-WCQYABFASA-N 401.363 1.139 30 10 HDEE CC(C)CN(CCN)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832742 BWQSHIVMTZTPQZ-UHFFFAOYSA-N 403.379 1.189 30 10 HDEE CN(Cc1cncs1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837010 RLISUHDEKYEBFT-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CC[C@@H]1CCNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854568 TZXRVXGCQMLQNB-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE CS[C@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282858560 YWLDUQSSSLTRTP-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(C(=O)O)COC3)sc2Cl)OC1(C)C 2284387411 OWUQPQGCBKEEFE-UHFFFAOYSA-N 401.677 1.532 30 10 HDEE CCN(CCC(=O)O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284406179 UYDAMDCXFGZMEH-UHFFFAOYSA-N 403.331 1.841 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3C[C@@H]3CC(=O)O)c2)OC1(C)C 2360937705 GBCYEZZLJOOBKM-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200641 AAGMXIGILXUKJD-HOCLYGCPSA-N 403.541 1.930 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 2365203127 HUNYOJUENJGVHY-KXBFYZLASA-N 402.557 1.723 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCC[C@@H](NC(=O)OC(C)(C)C)C1 2365207207 MDCODTUHYAWOGP-CLCXKQKWSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 2367795966 OMJMDPKEVYSUSF-XHSDSOJGSA-N 400.541 1.617 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796500 QCUCBMZHCBVLKX-PMPSAXMXSA-N 400.541 1.699 30 10 HDEE Cn1nccc1C#C[C@@H](OCC(=O)O)c1ncc(I)s1 2367798180 YLJAQXDKQAJDCL-SECBINFHSA-N 403.201 1.675 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367802613 CTNIHGNHFHFLTN-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN(C(=O)OC(C)(C)C)C1 2367802755 DTYWIAVQMKOURL-HRCADAONSA-N 400.541 1.427 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367803857 NVVVVDIQPOFYTK-BZUAXINKSA-N 400.541 1.556 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2367809985 SIBBEYFQBGCNHE-XHSDSOJGSA-N 400.541 1.163 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825380 ZGPXGTWXSNULHA-YZVOILCLSA-N 400.541 1.292 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)cc2C1=O 24679737 IHDXUXNSURVVBT-CQSZACIVSA-N 405.476 1.013 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 29168934 LQLAKQVXIWWNDN-UHFFFAOYSA-N 409.370 1.297 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccco1 72472428 ONWJWLBDQGVPSX-BLLLJJGKSA-N 419.397 1.970 30 10 HDEE CNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N\c2cccc(C(F)(F)F)c2)S1 100272238 NCMKNGVUXLELQT-WZWGVQAKSA-N 403.382 1.946 30 10 HDEE O=C1C(=O)N(CCO)[C@H](c2ccccc2[N+](=O)[O-])/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102533091 YDNMMRXVQNNNHG-CFBLSMTOSA-N 413.342 1.917 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(n3cc(C(=O)NCc4ccccc4)nn3)C2)cc1 169787530 PLQLPXAXEHOYRR-UHFFFAOYSA-N 422.470 1.325 30 10 HDEE COCCNC(=O)CN1CCN(C(=O)/C=C\c2cn(CCC#N)c3ccccc23)CC1 211964067 MRZQCILHZWRQDS-FPLPWBNLSA-N 423.517 1.475 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 409566765 CSWJRBMUMCYMNZ-KRWDZBQOSA-N 406.552 1.926 30 10 HDEE C=CC[C@@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 410065233 KUKDAXJAFHBPEV-DOMZBBRYSA-N 411.296 1.970 30 10 HDEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 410075373 QOBTXQWXUKYXLI-OAHLLOKOSA-N 412.508 1.158 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 410217920 IFYLKZBGIMDMME-KSZLIROESA-N 406.508 1.359 30 10 HDEE COC(=O)[C@@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 410317497 SLTMMQPLTAFMCE-QGZVFWFLSA-N 405.501 1.840 30 10 HDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 432051347 DUNCLACLIRJJQP-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]2CCCO2)c1=O 440380543 GYMJVNVSTNFARN-HNNXBMFYSA-N 415.515 1.266 30 10 HDEE COCCN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1=O 446633367 GQNSNIMQSDPJNO-UHFFFAOYSA-N 401.467 1.143 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 462099407 FEURTQQVBLQCLJ-CQSZACIVSA-N 414.433 1.543 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(C#N)c(OC)c1 462469048 APSLNPVBUDZRRK-SRABZTEZSA-N 401.419 1.201 30 10 HDEE N#CCN(CC#N)C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 463872787 QYDUFAPZUAQSCI-ZSXPZZPQSA-N 400.438 1.342 30 10 HDEE CNS(=O)(=O)c1cccc([C@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)c1 481060834 PRXIDEXJYVKSQS-LBPRGKRZSA-N 411.480 1.786 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 485441407 YERSOLSWQLELEG-UHFFFAOYSA-N 419.898 1.624 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)c2nnc3n2CCCCC3)CC1 489463609 NDKWEAGGFMYRKQ-MRXNPFEDSA-N 403.531 1.085 30 10 HDEE COc1ccc(-c2nc(CC(=O)N3CCN(C(=O)CC#N)CC3)cs2)cc1OC 503643975 RUQRWLFGLNSULW-UHFFFAOYSA-N 414.487 1.954 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(CC)c2)CC1 508946290 RYNPVGIBUMCEPX-INIZCTEOSA-N 404.540 1.967 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3ccnc3C#N)cc2)C[C@@H](C)O1 537795005 HRARGRSFSZAQAF-ZIAGYGMSSA-N 403.464 1.191 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)cn1C 539366159 BHLXAEBGHSSSOF-UHFFFAOYSA-N 412.475 1.467 30 10 HDEE COC(=O)C1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)(C(=O)OC)CC1 539860846 QZODAVJNIDMIET-UHFFFAOYSA-N 414.867 1.765 30 10 HDEE COC(=O)c1cn(C2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 546104252 JNZQEVXQXLNGAD-UHFFFAOYSA-N 403.464 1.047 30 10 HDEE CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 546198499 YJMADESRDJDGSX-UHFFFAOYSA-N 413.507 1.996 30 10 HDEE CC(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549831629 WRSAGHGUYRLCSM-UHFFFAOYSA-N 408.510 1.763 30 10 HDEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 555242799 ZMGPOOLAGYCPPD-PMACEKPBSA-N 418.586 1.589 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCCO2)CC1 555503344 USHCDCSGWYXFEV-QZTJIDSGSA-N 404.559 1.785 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)cc1 558295351 UZKJODRXQSRFCM-ZDUSSCGKSA-N 415.537 1.580 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609639905 RZBAFPXPSDZGHZ-OAHLLOKOSA-N 405.474 1.066 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCc3cn(C)nn3)c2)c1 611951992 DBIVENDYFOWAOV-UHFFFAOYSA-N 417.425 1.256 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 679527881 UNWLSCNYMDEFGP-UHFFFAOYSA-N 409.508 1.427 30 10 HDEE CCN1CCN(c2ccc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2F)CC1 732155922 IADIJDJCZQBGKI-VZCXRCSSSA-N 415.469 1.224 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CCN1C1CC1 732665201 VMRMLITXIBMJQL-KBAYOESNSA-N 402.495 1.167 30 10 HDEE C#CCN(C(=O)[C@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 733135746 JPTYAXMCZWIWOF-NWDGAFQWSA-N 417.314 1.761 30 10 HDEE N#Cc1ccc(NCCNS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)nc1 735497368 CEXKKILEELOYKV-UHFFFAOYSA-N 415.475 1.306 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C4CC4)C(=O)C3)nc12 748262076 AAXHCRLWKOYGIA-UHFFFAOYSA-N 410.503 1.630 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(CC)s2)c1=O 752190906 QKOWMOONAXYTIC-UHFFFAOYSA-N 417.556 1.837 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757596520 VDMDAOUDYGPGJN-ZQDZILKHSA-N 410.540 1.809 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761679826 HRMUZWONOIFYHV-WOJBJXKFSA-N 413.522 1.584 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)c1 763553549 IXQYUZIDBLGEBQ-HNNXBMFYSA-N 403.442 1.704 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@H](c2ccc(F)cc2)C1)c1cc[nH]n1 772302778 RFSCIEIJCKTUAJ-GUYCJALGSA-N 418.425 1.821 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2ccc(C(C)=O)cc2CC1)c1cc[nH]n1 772434022 NTFWWEDHRBTALN-UHFFFAOYSA-N 412.446 1.524 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cnc(Br)cn2)c1 773507551 CZMPVLTTYXVQRX-UHFFFAOYSA-N 411.281 1.633 30 10 HDEE C#CCN(C(=O)NCc1cc(F)ccc1Br)[C@H]1CCS(=O)(=O)C1 774178317 KXMTVDLLIIYPGK-ZDUSSCGKSA-N 403.273 1.920 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CCN1CCOCC1 776747464 BHQQFOVHTOZONF-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE C[C@H](OC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1(C#N)CCC1 787733731 IITSNGDUTNVBSL-KBPBESRZSA-N 407.492 1.535 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 788039835 TYFIWYXGQIRTIQ-LBPRGKRZSA-N 422.550 1.010 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nnc(-c3c[nH]nc3C)s2)n1 788676462 MIKJDYYCVLOBKK-UHFFFAOYSA-N 400.468 1.747 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)NCC)c2)n1 790103986 FQOUJMNZKDYLIY-UHFFFAOYSA-N 404.492 1.103 30 10 HDEE C[C@H](O)[C@@](C)(CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1 790332994 HWKKKIBODLHVPC-PMJQPMTFSA-N 400.479 1.442 30 10 HDEE Cc1ccc(CN(CCO)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)o1 794315252 WXYOIKUIOKTECE-UHFFFAOYSA-N 405.476 1.428 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCc1ccc(Cl)cc1-n1cncn1 795516594 AWPRXUCXWFJJDM-ISLYRVAYSA-N 401.810 1.880 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1S(=O)(=O)NCC 796097162 PTIXNMZVHBEIQR-QGZVFWFLSA-N 406.529 1.898 30 10 HDEE CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801974112 WVTXXXQQWQIRGK-SFHVURJKSA-N 407.526 1.649 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802558355 NPXWFPORWRHNKW-GQIGUUNPSA-N 408.499 1.594 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc(Br)ccc1O 806781849 SUUDHTJOBRXFRP-PFONDFGASA-N 409.240 1.480 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC(=S)Nc2cccnc2)cc1Br 807947818 KJGAERZOOGQXIZ-UHFFFAOYSA-N 414.310 1.812 30 10 HDEE C#CCN(c1nnc(-c2ccc(OCCC)c(OC)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809865221 JDHDCMZQGWNLMH-MRXNPFEDSA-N 418.519 1.906 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 812176283 WHZVYOLEGYWDCC-IBGZPJMESA-N 412.538 1.848 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)CC2)c1C#N 812467614 XHFQRQIGRUYJLC-SREVYHEPSA-N 417.514 1.513 30 10 HDEE CCCC(C)=NNc1nc(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)n[nH]1 1084311897 KQVRHVXWAWIMPJ-UHFFFAOYSA-N 424.575 1.154 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCOCC1 1131256837 HRCWHFBSFDBVCQ-KRWDZBQOSA-N 409.508 1.237 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(=O)NC)c2)s1 1136423693 SFWGMRYOPXDVJN-UHFFFAOYSA-N 407.517 1.431 30 10 HDEE C[C@H]1Cn2nc(C(=O)NCC3CCN(CC#N)CC3)cc2CN1C(=O)OC(C)(C)C 1136779264 LMSYDKQWKXBFKW-HNNXBMFYSA-N 416.526 1.988 30 10 HDEE Cn1nc(C2CCOCC2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1150640561 GDZFMSAOHCJJLF-UHFFFAOYSA-N 403.464 1.103 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC(C)(C)CC#N)cc1 1161259480 GJEIRXYWPOBGQD-AEFFLSMTSA-N 407.536 1.990 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)c1 1162053290 XFXRGNRFVJQKHH-SFHVURJKSA-N 409.529 1.523 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccc(NC(=O)C(F)(F)F)cc3C2)C1=O 1166545129 WLXPZEJQUSJONK-UHFFFAOYSA-N 424.335 1.006 30 10 HDEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2C[C@H](C(N)=O)[C@@H](C(N)=O)C2)c1 1168318262 FGFUIKBJNGZWSF-GJZGRUSLSA-N 412.833 1.663 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)nn2)C1 1175030268 PQDSDYBSBNWNNA-INIZCTEOSA-N 408.462 1.839 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)cc1 1177607743 VBXGUNAOYLCHPL-HNAYVOBHSA-N 412.483 1.904 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1190512618 UUIKIXRBORDCOO-XWSJACJDSA-N 424.519 1.675 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 1195259906 CMYCXTRIHUFHPC-UHFFFAOYSA-N 410.492 1.209 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)cc1 1251291622 RNSQBHQTQGDWPJ-OAQYLSRUSA-N 403.479 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CCOC 1286288044 FWIJQHMPDVNUHH-OAHLLOKOSA-N 402.499 1.432 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1286291697 FDJBIVWZGRKTMZ-VQIMIIECSA-N 403.490 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286299811 IKYGUYIQOXBKOQ-GOEBONIOSA-N 416.551 1.587 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1286313715 DYSKUXUNSUJCED-QGZVFWFLSA-N 400.527 1.811 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286324945 RKNXNBZBYJNIRV-MSOLQXFVSA-N 404.536 1.950 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1286350098 UYIXULWNPXLGTO-MRXNPFEDSA-N 410.540 1.429 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCCCC1 1286398103 SRRIAAHUWRVOSH-MRXNPFEDSA-N 407.540 1.310 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@]2(N(C)C)CCSC2)CC1 1286489858 DAEGQCCBBIBFBS-OAQYLSRUSA-N 416.595 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCSC)CC1 1286490939 XYNGCQJWXHMZLQ-INIZCTEOSA-N 418.567 1.338 30 10 HDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286536062 MZJRBULKDOXGAR-GFCCVEGCSA-N 411.304 1.783 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1286713780 GACJVNZODVCOOW-UHFFFAOYSA-N 420.514 1.272 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1286769053 OJDVSBRBBBAWRY-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1286786908 LTQBMQOHWZPIJN-UHFFFAOYSA-N 407.478 1.340 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286950105 BTCOTXZRNQAILL-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE CN1C[C@@H](C(=O)N(C)CCc2cccc(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1288042635 OWIQURGPHRVXRH-KRWDZBQOSA-N 400.479 1.637 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCCS(=O)(=O)N3CCCC3)cc2)nc1 1289290844 MTSUIFPXTXMIEI-UHFFFAOYSA-N 400.460 1.901 30 10 HDEE C#CCCOc1ccc(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1291653354 KGYUISIERNKCMT-UHFFFAOYSA-N 405.454 1.591 30 10 HDEE CS(=O)(=O)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1295044831 SXORVRACFHSXFO-UHFFFAOYSA-N 424.475 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1300303254 HXICANDKWPQXHG-CABCVRRESA-N 400.483 1.184 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1300578189 IVTGQDLNVDVKAW-RBUKOAKNSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300701585 WODVUDDRLISBDN-XXBNENTESA-N 409.534 1.472 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCC[C@H]2C)CC1 1300730569 AWMGJEMPWRBIEJ-QGZVFWFLSA-N 402.543 1.265 30 10 HDEE COCC1(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1301130746 CUCFOFALDHLYIE-LJQANCHMSA-N 401.446 1.620 30 10 HDEE COc1ccc(CN(CCO)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1303035673 IFILWOBPAAAFGN-UHFFFAOYSA-N 406.435 1.766 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1303950791 RRRXQUHXSOMWHO-DLBZAZTESA-N 421.505 1.433 30 10 HDEE C=CCc1cc(C(=O)N2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc(OC)c1OC 1305005452 BGOKSNOQDGAKMA-MRXNPFEDSA-N 413.478 1.445 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1305224282 DVMXLBYNDHQRQU-ADAWSYLGSA-N 411.503 1.295 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 1312380573 GCFHEBCECPGGQO-SAJDGTNDSA-N 416.547 1.477 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C2(NC(=O)NCCn3cnc(C#N)n3)CC2)CC1 1312662937 RUFTYSABSBTJRR-UHFFFAOYSA-N 403.487 1.629 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1sccc1S(=O)(=O)C(F)F 1318493894 BZOSIWPHBGPXBZ-ZRDIBKRKSA-N 405.404 1.001 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1349939735 WYEGTRPNSWJYRQ-UHFFFAOYSA-N 405.524 1.149 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1358885531 LUUMJNTZPXSFJP-LBPRGKRZSA-N 401.272 1.852 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@]2(O)CCOC2)c1 1358901655 RUXFKNUOKNQZQI-OPAMFIHVSA-N 411.506 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H]1C 1358984364 RQNWPAYVGVHITE-SFHVURJKSA-N 405.506 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(C)CN(C)C2=O)CC1 1359040787 GKDVWAADSAVQII-YCRPNKLZSA-N 400.527 1.236 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(C)(=O)=O 1359064876 BVXUPQWUSGNDCV-MOPGFXCFSA-N 410.540 1.355 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359299404 DJNHHOZZYZTVQI-IRXDYDNUSA-N 418.542 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359329786 UXNRCGRXZNSJQO-QAPCUYQASA-N 420.535 1.762 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1359467136 NKAGADDYHLTKRB-UTKZUKDTSA-N 421.542 1.846 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCCS(C)(=O)=O 1360466916 JJHVOMINLXKHCJ-HNNXBMFYSA-N 410.544 1.467 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@H]3CCCN(O)C3=O)nn2)CC1 1450274819 XEWFLJPYGVSTOR-KGLIPLIRSA-N 422.486 1.350 30 10 HDEE CC(C)OCCOC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1451323569 GXJHMZXWOBFERT-INIZCTEOSA-N 423.535 1.658 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)c1 1452651399 LRWKREBCCYYDLB-UHFFFAOYSA-N 416.503 1.933 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1460221224 HNKLTCBTGAIQSP-QGPMSJSTSA-N 423.560 1.765 30 10 HDEE CN(CC(=O)N1CCO[C@](C)(C#N)C1)S(=O)(=O)c1ccc(Br)cc1 1463097776 XUUNRXBSAGARTK-OAHLLOKOSA-N 416.297 1.211 30 10 HDEE N#Cc1cccc(OCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1463447447 NTIJZMRWZPPRNN-BBRMVZONSA-N 402.394 1.905 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)CNS(=O)(=O)c1ccccc1N 1463725830 OMYFAXNGXGRYSD-UHFFFAOYSA-N 404.517 1.468 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)Oc1ccc(Br)cc1 1467918848 FYYPGTJPSYYZIT-WMLDXEAASA-N 411.252 1.806 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 1471227181 MZKALVULRQWOQA-UHFFFAOYSA-N 413.453 1.601 30 10 HDEE COc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(Cl)c1OC 1471618628 YBWDJPLSDKKHJS-SJCJKPOMSA-N 413.883 1.437 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)nn1 1471834516 LHMYGRRNRMYQCD-DBWCEAHUSA-N 418.494 1.837 30 10 HDEE CC(C)C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1472036397 VFNDTMXJFBPUCW-KHYOSLBOSA-N 413.540 1.713 30 10 HDEE COC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(F)c1 1478341350 BNLXAZHWSOGHPN-HNNXBMFYSA-N 405.361 1.053 30 10 HDEE C#CCOCCC(=O)N1CCC[C@@H](C)[C@H]1CCCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1489966156 XQNJGISWBIIKBA-KSIVUZQRSA-N 402.535 1.973 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cnn(C)n1 1505059765 SJLUCWKSMJQKIL-ZOBUZTSGSA-N 402.503 1.359 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507581338 QPTBIGCASDVMAC-XLIONFOSSA-N 409.538 1.675 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507623616 UTVKSMKOFQOBCT-HZPDHXFCSA-N 409.556 1.191 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)cc1C 1507713048 WXOJOORTYVRICT-LJQANCHMSA-N 410.522 1.738 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CC)CC1 1507736216 IANVDZMROIPKQT-FQEVSTJZSA-N 421.549 1.790 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)CC1 1507806178 RNAZOKKVLDOBMG-PKOBYXMFSA-N 401.536 1.814 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC 1507998173 MJDDSLUHXVEUAX-KRWDZBQOSA-N 412.494 1.567 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1508168918 ZYCJVAODFOATMU-IBGZPJMESA-N 403.556 1.761 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1508422756 FCBRYYMSPRHDHM-HUUCEWRRSA-N 417.539 1.285 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCN1CCCC1 1510186304 GDKOQBQOONWSGF-MRXNPFEDSA-N 423.587 1.504 30 10 HDEE CC1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1510320149 YOOKZMFLWRUGPY-VDMFXUGISA-N 413.482 1.134 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCCn2ccnc2C)n1 1511716917 HVXRCHGYHIXRCA-LJQANCHMSA-N 423.525 1.854 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1518636543 CWJSOSKDNXTXDN-FGTMMUONSA-N 410.478 1.180 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)CC1 1521310158 QZIJEPVRXFSLIT-SPLOXXLWSA-N 418.494 1.429 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3nc(F)ccc3Br)CC2)c1C#N 1522363789 USXNWRXGIRAXQM-UHFFFAOYSA-N 407.247 1.859 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539086219 ZGVWLXHFPOAOOJ-RBUKOAKNSA-N 416.570 1.970 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539139471 IQBWSPRZIZHJAG-VQIMIIECSA-N 409.490 1.994 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCOC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539201966 DFMJXIAAHLZMDX-KRWDZBQOSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1539238807 CJKYCCZIGIRPNL-KRWDZBQOSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNC(=O)Cc1cccc(F)c1 1539257071 OBJZAODKDBGWSO-UHFFFAOYSA-N 416.460 1.911 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCOCC1 1539332101 GCDGENGCVIFJDU-FQEVSTJZSA-N 406.534 1.695 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)C1=O 1539519743 MPBXGFLVYDTJMH-UHFFFAOYSA-N 424.186 1.380 30 10 HDEE C=C(C)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1539733937 VAGGYGULWCPPDF-GOSISDBHSA-N 400.545 1.766 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540874116 VRPUHNZPDAWUMU-QFIPXVFZSA-N 416.570 1.614 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1541989113 GUAJLRPDWFOXGY-JXFKEZNVSA-N 416.526 1.584 30 10 HDEE Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543264706 OFLHALLIKGFEHR-IJYGLTAASA-N 410.482 1.230 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1554531608 KNGVDHGPNNEXET-QFIPXVFZSA-N 422.489 1.684 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555693979 WHTPKPGUXRWIMX-NVXWUHKLSA-N 414.466 1.374 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccnc(F)c3)CC2)c1 1556659294 ZBVCAUMIHPIKNR-UHFFFAOYSA-N 406.414 1.619 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)cccc2OCC2CC2)CC1 1558074495 BAAQHGQYIONHER-UHFFFAOYSA-N 411.911 1.354 30 10 HDEE C#CCN(C(=O)Cc1nnn(C(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370100 IBPUSFKXXAONOH-UHFFFAOYSA-N 404.515 1.832 30 10 HDEE COc1cc(N)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Br 1558642730 BJEBYJQDDIVFKU-BJOHPYRUSA-N 414.281 1.050 30 10 HDEE CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1558865237 AJUOQJSZEQUVJE-CQSZACIVSA-N 405.455 1.069 30 10 HDEE CC1CCC(N(C)C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)CC1 1559448855 TWJRIQMJMOZBRY-UHFFFAOYSA-N 418.494 1.260 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](C)(C#N)C3)CC2)cc1C 1560017625 OXKIWFXVCLXZAE-HXUWFJFHSA-N 404.536 1.372 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C[C@H](O)CC3(C#N)CCOCC3)C2)C1 1560139801 FYCMMSWPEBTENR-DYESRHJHSA-N 409.527 1.770 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2)C(=O)OC 1561641170 FJXCYARBBHLXAJ-NSHDSACASA-N 415.265 1.177 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1564067541 LCELKBSQRLNMRQ-UHFFFAOYSA-N 403.479 1.870 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H]3CCN(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1565053223 ZVDKMKHEYRLOOH-YZVOILCLSA-N 422.938 1.746 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(C=O)c2)CC1 1565589981 HTNRBRSYEXPXEB-UHFFFAOYSA-N 406.280 1.159 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(F)(F)Br)s1 1568731838 XSZCTKPWGCPMIE-UHFFFAOYSA-N 403.270 1.859 30 10 HDEE Cn1cc([C@@H](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C2(CO)CCC2)cn1 1569506801 WJDXPLIQUPOUPJ-GOSISDBHSA-N 405.462 1.693 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CC1CCN(CCN(C)C)CC1 1588120306 KBNGHLDCSZGHJQ-UHFFFAOYSA-N 405.550 1.687 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1588138516 DYQVKSNZIRDGAU-ROUUACIJSA-N 403.552 1.127 30 10 HDEE C#CCSCCn1c(COCC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589116437 INNATDHPUKUOBY-UHFFFAOYSA-N 415.585 1.041 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1593730275 VNFYPILAQTYCNA-UHFFFAOYSA-N 401.515 1.718 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1593775700 CHLARSXIUFEZCR-QGZVFWFLSA-N 400.483 1.379 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1595387014 MPIBPQQTNOUVHS-AWEZNQCLSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2cnn(C)c2)CC1 1595516250 CNYKGQHBJWLKJJ-UHFFFAOYSA-N 406.494 1.307 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595544777 LCPOFKCTWBPHQD-HZPDHXFCSA-N 415.498 1.550 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1603683911 YMZZIGVGTOTSLI-NRFANRHFSA-N 411.510 1.221 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1611319441 GSZVRGZQAPGUET-QINHECLXSA-N 402.499 1.477 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1617613360 DWCNNOIOYNXZGB-OALUTQOASA-N 424.505 1.710 30 10 HDEE CCN1CCN(CCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1624473911 BGGULRYMCIFCJG-UHFFFAOYSA-N 406.571 1.781 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1627751590 DRYIFCRQLFXOGQ-IERDGZPVSA-N 401.463 1.776 30 10 HDEE C=CC1(CC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1627882887 KQZRZMFIFBJXBN-AWEZNQCLSA-N 413.515 1.801 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)N(C)C)CC2)s1 1628098849 SRQHCAZBRHPSKS-UHFFFAOYSA-N 414.553 1.017 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCC(O)CC3)CC2)cc1 1630278751 MTHDJIHXZVLDNQ-UHFFFAOYSA-N 405.520 1.626 30 10 HDEE CN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)NC1=O 1630687377 RKENVOALFXPSNU-MOLDEKSUSA-N 407.496 1.242 30 10 HDEE CCOCCCn1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)nc2ccccc21 1632324229 NZLRBMZJCZPSRG-UHFFFAOYSA-N 410.434 1.626 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C1CCN(C)CC1 1635680392 QFLDWKFQTYQPOV-UHFFFAOYSA-N 412.515 1.474 30 10 HDEE C#C[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccc(Br)cc1 1636541501 IDNVDERXVDAVDD-MRXNPFEDSA-N 413.275 1.885 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1638577288 JTHKVXUNGNFXSY-CQSZACIVSA-N 407.341 1.801 30 10 HDEE CCON(C)C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1640760117 DOANTPXNYJVKTG-UHFFFAOYSA-N 401.423 1.549 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)cc1S(=O)(=O)NCC#N 1641735273 DXDDKEMAJMUDAP-PMACEKPBSA-N 424.526 1.896 30 10 HDEE C[C@H](C(=O)N1CC(=O)Nc2cc(C(F)(F)F)ccc21)N1CCN(C(=O)CC#N)CC1 1643135360 JGRDGVQSPPOMAM-GFCCVEGCSA-N 423.395 1.437 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2nc(O)c3c(n2)CCOC3)cc1Br 1643244904 XIDXSSXBJWQHEQ-UHFFFAOYSA-N 419.235 1.584 30 10 HDEE N#CC1(C[C@H](O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)CCOCC1 1644297793 RFKUUJSWLUBQTB-REWPJTCUSA-N 413.518 1.561 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1648148737 KTBTXSIKBPDTCN-UHFFFAOYSA-N 405.520 1.260 30 10 HDEE COc1ccc(C(=O)NCC#C[C@@H]2CCCCO2)nc1I 1648586483 MSXGRMBYIAGAOP-NSHDSACASA-N 400.216 1.997 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@@H](c3cccs3)C2)c1 1648840046 CWWGJYXRPVBOMG-GDBMZVCRSA-N 405.501 1.935 30 10 HDEE C[C@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1649562384 CURLXPXGMATYFV-LAUBAEHRSA-N 415.542 1.251 30 10 HDEE N#Cc1cccc(-c2nc(NC(=O)c3c[nH]nc3I)n[nH]2)c1 1651270871 LAPOKDRWPVAZFR-UHFFFAOYSA-N 405.159 1.923 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 1655054299 AGZWTXXMZWSRAT-AREMUKBSSA-N 412.581 1.618 30 10 HDEE COc1ccc([C@@H]2CCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1 1656460769 HVXDYRKCRNPPOI-IBGZPJMESA-N 410.478 1.744 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccc(=O)n(CCO)c2)cc1 1658321200 SCOXOWBCCRJKLI-UHFFFAOYSA-N 406.464 1.291 30 10 HDEE C#C[C@H]1COCCN1CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1658952965 QEICUHJCXMPWTI-AWEZNQCLSA-N 416.831 1.736 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOc3cc(C(=O)OC)ccc3C2)c1 1660582636 VIXYXPQMSJUERA-UHFFFAOYSA-N 407.426 1.997 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1662998035 IPUOJRLSAPQHBQ-XUSGNXJCSA-N 409.327 1.515 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)cc1 1667956247 MEGXGLAFVGVPNG-MAUKXSAKSA-N 409.556 1.249 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1670156828 KEOLCGWUXJVXSB-SECBINFHSA-N 408.245 1.427 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3ccc(C(C)C)cc32)CC1 1671972073 AYCGZYDHAZQTNW-IBGZPJMESA-N 404.536 1.592 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])CC1 1674637687 RYPIRNWBRNUYRV-UHFFFAOYSA-N 401.467 1.729 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(C)c3)CCCC2)CC1 1676585230 WUWIHTFODSJAPD-UHFFFAOYSA-N 418.563 1.602 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 1681187711 FJJHQBNBMQTFDE-BZUAXINKSA-N 403.483 1.869 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCOCCN(C)C(=O)OC(C)(C)C 1682844686 IGCIEZMTZXMRFO-UHFFFAOYSA-N 413.515 1.856 30 10 HDEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1682897951 ZXKGCKPFYOBZMD-GJZGRUSLSA-N 401.529 1.368 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 1685267458 ZNSRCYYMXYIKDA-DHIUTWEWSA-N 409.578 1.686 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689996977 SMXOQEKJWDWKLE-OXQOHEQNSA-N 424.567 1.383 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690464777 KJPOFMXEGQRRRB-HNAYVOBHSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(CN(C)C(=O)OC(C)(C)C)CC1 1690660911 QTOIGRDJUJKPKT-UHFFFAOYSA-N 406.531 1.972 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@H](C)C1 1690663114 MJMSJEVYVASXLI-OAHLLOKOSA-N 413.482 1.686 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCCOC2)C1 1690724075 HOQLJFCBUOKUAE-XLIONFOSSA-N 424.567 1.780 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@@](C)=O)CC1 1692163024 TWZOCDYIUAKILP-GDLZYMKVSA-N 414.535 1.923 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc([C@@H]2CCOC2)cn1 1692498978 BVFFRHMMCFSYDX-HZPDHXFCSA-N 414.514 1.555 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1692721287 CVOXTRXHCSSWNY-PKOBYXMFSA-N 424.553 1.715 30 10 HDEE C#CCCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705511621 AJASVLIYCBEQTP-IBGZPJMESA-N 420.517 1.458 30 10 HDEE C#CCN(C)c1nnc(CCCOc2ccc(Cl)cc2C)n1Cc1nnn(C)n1 1705557610 YBCJEXUWERFXHQ-UHFFFAOYSA-N 414.901 1.893 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705572067 PVGVZHIWYGWLPI-IAGOWNOFSA-N 406.508 1.103 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCC1 1705582987 OCNZDVLWHZXADT-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1705629400 HJCMJEFOTGKNFW-GOSISDBHSA-N 411.506 1.893 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1705630310 NWPIHQPCRKNKRA-RBUKOAKNSA-N 416.570 1.607 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705693565 IBHFJLZWLVRWSH-HKUYNNGSSA-N 404.559 1.593 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1705729805 YYILEZRXNDUPGH-QAPCUYQASA-N 400.545 1.764 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCOCC2)CC1 1705769540 VSUXDVCJYYJKIL-MSOLQXFVSA-N 423.583 1.305 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)C 1705881601 UVGBCONNGRYLIE-UHFFFAOYSA-N 411.304 1.763 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC(C(N)=O)CC1 1705898017 YXQHGUPLYPTJJV-GOSISDBHSA-N 410.522 1.824 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2C)C1 1705915832 XMDMGPYETOZCAU-KRWDZBQOSA-N 422.493 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](n2cncn2)C1 1705937056 HBHRTXUITQBACH-MRXNPFEDSA-N 405.528 1.264 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705943218 RJHSBKDKQVFUGI-QGZVFWFLSA-N 415.567 1.955 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1706077450 NSGPAORLUMTGDE-AWEZNQCLSA-N 418.448 1.602 30 10 HDEE C[C@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1708248458 AUDYQJHPHPODPO-RCCFBDPRSA-N 404.515 1.359 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1709279091 RGIFOCKHSSRCKE-BAEHRGANSA-N 413.482 1.134 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1722307816 AVMSEFJMOGSMDB-WMZOPIPTSA-N 423.583 1.945 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722333540 XBVMZSTYMLYGJQ-PMACEKPBSA-N 422.533 1.544 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1722346506 RLRMEWRKVHTUDI-AREMUKBSSA-N 406.533 1.329 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H](F)COC)CCOC1 1728819964 ZIXAJYHVMHNYHM-RIFZZMRRSA-N 422.505 1.091 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730366623 BNHQEMZUGPTDBT-RMYFCYLKSA-N 411.466 1.415 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1Cc1ccc(C#N)o1 1730848328 YIXYNIATGJARFH-VLIAUNLRSA-N 414.466 1.231 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)C1 1731179682 FIGNWNBBKJPFOS-BBTUJRGHSA-N 420.533 1.851 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1740571712 RUYYQKLGQXVWNK-GOSISDBHSA-N 402.543 1.580 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@]2(O)CCO[C@H]2C)n1 1740688586 XJDACPULOFMNBN-LAUBAEHRSA-N 416.526 1.424 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740742911 GHHPGNGKIGLPBK-NXEZZACHSA-N 424.221 1.905 30 10 HDEE C=CCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1740949831 ULYRHBPOVVQMJB-IERDGZPVSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1740960598 VSKKBBUORDCANJ-RTBURBONSA-N 411.506 1.880 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740962826 PWFYRABCCUFXCQ-QRWLVFNGSA-N 417.535 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@@H]2C(=C)C)C1 1740981315 VMAWTLLUWWMKBN-VXIBKDFQSA-N 401.511 1.992 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1741123463 CRWVSHNYAMPPBG-KRWDZBQOSA-N 423.521 1.816 30 10 HDEE CCCNC(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745782432 CQAJUPBKQRIOQG-HNNXBMFYSA-N 423.525 1.449 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1748651157 JPZRWEHIZJMSCW-OAHLLOKOSA-N 413.507 1.488 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1748664505 ICAVHIZTVNILGG-INIZCTEOSA-N 416.489 1.937 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1748817204 GPGYSAAAXKGPNL-JXFKEZNVSA-N 420.535 1.585 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1748817933 SVTOYQNVWHDCDS-IAGOWNOFSA-N 410.540 1.053 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)CC1CC1 1749051235 ACYVUTUZQDAUJI-LJQANCHMSA-N 407.540 1.233 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)[C@H]1CC 1749114422 BUKUJMPYNGTHCZ-XHSDSOJGSA-N 404.515 1.112 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@]1(OCC)CCOC1 1749207375 JRFNEPWDLGXCJN-QAPCUYQASA-N 400.545 1.766 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749292309 PRHMEEAUQQZYKI-YLJYHZDGSA-N 424.567 1.910 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1760190919 WQOAZJHRBWUMSR-IAGOWNOFSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCCOC 1760218133 YHSMFHFBZSXYGN-GOSISDBHSA-N 422.489 1.161 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1760246561 UOSIMKFMTSNKGF-UHFFFAOYSA-N 411.554 1.452 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCN1CCC(O)CC1 1760249588 OROGXGZFDYYKLW-SFHVURJKSA-N 405.543 1.105 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1760250665 MWIUVKXUFYAAHQ-JOCHJYFZSA-N 408.506 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2=CCCOC2)CC1 1760268220 NXMMMXPZEALOBT-UHFFFAOYSA-N 408.506 1.596 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1760313121 JTCVNXYZFQOIHI-NUJGCVRESA-N 416.526 1.162 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760428135 PTMHGOJZLNCGHK-MSOLQXFVSA-N 416.570 1.927 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760516574 QUPFNXRJZFHOHF-FDDCHVKYSA-N 422.533 1.981 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760527398 VOZOUVZQPVLMRW-UHFFFAOYSA-N 406.494 1.126 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1760541659 GAUMVWWLRSIJMP-DLBZAZTESA-N 412.494 1.496 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncn(C)n2)C1 1760546105 ITWSDYVKUXWMKI-KRWDZBQOSA-N 409.494 1.836 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1760559459 HOTMTNFFWWWXRM-STQMWFEESA-N 405.615 1.749 30 10 HDEE Cc1noc(C)c1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1762643023 AWTUIKPAHKCREF-HNNXBMFYSA-N 422.449 1.502 30 10 HDEE C=CCN1C(=O)[C@@H](CC(=O)NCCCC(=O)O)SC1=Nc1ccc(C(=O)O)cc1 1772721678 NFMPQQFFXNYMNL-CQSZACIVSA-N 419.459 1.873 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 1849292210 BWUDTKQONJYZNX-HOCLYGCPSA-N 410.467 1.557 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(C(F)(F)F)c1 1850298486 NVNWHRXLMWITMT-INIZCTEOSA-N 417.453 1.540 30 10 HDEE Cc1nnc2c(N3CCC(NC(=O)Cc4cc5c(cc4C#N)OCO5)CC3)nccn12 1852345774 AUIXMYZZGNDVKK-UHFFFAOYSA-N 419.445 1.361 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(C4COC4)CC3)cc2)c1C(F)(F)F 1852951465 USXPZHXTGLKQJG-UHFFFAOYSA-N 405.380 1.919 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853948888 USOJFGXWQHAJNJ-KRWDZBQOSA-N 418.519 1.181 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3nc(C(C)C)no3)CC2=O)CC1=O 1854127499 GXDKLVAMKHGNDC-LSDHHAIUSA-N 403.483 1.034 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@H]3CCCO3)c3ccccc32)cc1 1854479711 KIDYXDAURAMLRQ-GOSISDBHSA-N 411.439 1.806 30 10 HDEE CN(CC(=O)N1CCC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)C(=O)OC(C)(C)C 1855022717 HAYLLPXVZOETCN-CVEARBPZSA-N 404.511 1.997 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1855032583 DNFKAXWDANMKNY-MRXNPFEDSA-N 400.479 1.328 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855064753 NERZGOQBHKBGSG-DOTOQJQBSA-N 409.490 1.626 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@H](C)C1=O 1855129232 IQJJZQXWCYLMTJ-UONOGXRCSA-N 408.476 1.766 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1855163648 QGCQQULPLXPIMD-HOTGVXAUSA-N 402.520 1.525 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3noc(C4CCOCC4)n3)CC2=O)cc1 1856010150 CSNZNIACOGVKCO-UHFFFAOYSA-N 409.446 1.249 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC4(CC3)C(F)(F)C43CC3)CC2=O)CC1=O 1856486102 FYSKOHKELZBQRK-HZPDHXFCSA-N 421.488 1.907 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc4c(s3)CCC4)[C@@H](C)C2=O)CC1=O 1856560414 ULWFNUASPUDFLS-KBPBESRZSA-N 402.520 1.226 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCN(CCC#N)C4(CCCCC4)C3=O)cc2n1C 1856628593 QNCKDBNXSDUKBW-UHFFFAOYSA-N 409.490 1.778 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)C(=O)C2)C1 1856832759 UMKVOXBHJYLTSI-IBGZPJMESA-N 408.506 1.511 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)COc3ccccc3F)C2=O)C1 1857114966 YFONCQQZUGBEAR-QGZVFWFLSA-N 410.405 1.362 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cnn3c2OCCC3)CCN1Cc1ccc(C#N)cc1F 1857454663 DWBIYLBEWFWCAV-UHFFFAOYSA-N 411.437 1.940 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)Cc2ccccc2)C1 1858335385 LOQFHGCGPLOVMO-KRWDZBQOSA-N 405.501 1.441 30 10 HDEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CSc1nnnn1C 1870269866 VPEMTQTUYOQXRN-UHFFFAOYSA-N 420.539 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2010406588 WJSBXDLLSYDUPU-ZDUSSCGKSA-N 420.275 1.655 30 10 HDEE Ic1cnn(CCN=C2NC[C@@]3(CCCOC3)CS2)c1 2153505290 BBZOYDDPNHSUJM-CYBMUJFWSA-N 406.293 1.977 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174771506 NQAIGNSGRJGLGJ-RMKBEBRYSA-N 422.573 1.869 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CC1(C)C 2174782662 SQUKEKSHDSUOQU-AWEZNQCLSA-N 401.529 1.872 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)CC1(NC(=O)OC(C)(C)C)CCSCC1 2199863631 GAEZELWFRNJRCB-LJQANCHMSA-N 400.541 1.943 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H]1CNc1ncc(Br)cc1C#N 2218612886 GSQNMSUWIYULFH-AVGNSLFASA-N 413.272 1.469 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243383753 CHJKZJUAQLOWNL-UHFFFAOYSA-N 406.292 1.306 30 10 HDEE C[C@@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247817854 QXZWZPVTEKAYQT-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247825551 GERMEQCRWNAPID-DABQJJPHSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1(C)C 2248433847 RJOBGSMMBNTXRE-SPLOXXLWSA-N 422.331 1.792 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250004049 GDFDBYQUDSWTRU-HZPDHXFCSA-N 422.331 1.888 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)Cc1cc[nH]n1 2255876684 OYDBJNOUARPLPA-UHFFFAOYSA-N 422.298 1.680 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCc3csc(O)n3)c2)OC1(C)C 2267714738 ZVIGQJYMUVPPMS-UHFFFAOYSA-N 402.328 1.688 30 10 HDEE C[C@H](ONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269035629 GUFHAYJOZLFKLO-ZETCQYMHSA-N 411.694 1.384 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CSC[C@@H]3C(=O)O)c2)OC1(C)C 2269040233 LNAUMVYJVHQPQI-SNVBAGLBSA-N 405.328 1.196 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](CO)C[C@@H]3CO)c2Cl)OC1(C)C 2281933153 VPVJVLIINHZRCZ-GHMZBOCLSA-N 401.721 1.516 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282325698 IORLLMGGMLMDEH-VWLOTQADSA-N 423.387 1.789 30 10 HDEE C[C@H](N)C1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282332799 GRSIAILKSXLHKW-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE COC(=O)NCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334784 GPKYQDFTOVQGSW-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CCN1 2282491668 MBSWCAGGCJEHFB-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(F)CNC3)ccc2Cl)OC1(C)C 2282492961 UNRZNGUHURBJCS-UHFFFAOYSA-N 404.700 1.229 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282499254 NYLNHNJESNIROV-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H]1O 2282828077 IGZNEFDKOLHHQG-RISCZKNCSA-N 401.721 1.641 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](CN)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282830856 ANAAOKFLQUUTAX-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCN[C@@H](C)C1 2282833661 YVBRTRXYTCMKIN-LBPRGKRZSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834971 OIZMVVNEKYITOQ-STQMWFEESA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCC[C@H]2N)OC1(C)C 2282837250 COCZRXIWZPJYJX-KGLIPLIRSA-N 400.375 1.737 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)NCC3CC4(C3)OCCO4)cc2)OC1(C)C 2282839003 XKFPLTNVTVTEJV-UHFFFAOYSA-N 423.340 1.558 30 10 HDEE CC1(N)CCC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282850570 QQJRBKITOYAGHZ-UHFFFAOYSA-N 400.375 1.986 30 10 HDEE CCN(CC1(O)CCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851708 GBVFTYJLDWCUGO-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2282856284 QDYVSZZGZDWNHT-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE C[C@H]1CN(C)CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877110 MXRSJPSROFOGNP-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400767 YCBQSVPNTRSHKM-MRXNPFEDSA-N 403.331 1.825 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284410106 RERSJEJDKALKKB-MNOVXSKESA-N 403.331 1.743 30 10 HDEE CC(=O)Nc1ccc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 2297708337 XJEMLFZLCKPRBG-UHFFFAOYSA-N 410.482 1.713 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1 2329035273 YQAKATLGEGAKBH-CQSZACIVSA-N 417.491 1.855 30 10 HDEE CC(C)(C#CC(=O)[C@H](O)c1ncc(I)s1)S(C)(=O)=O 2339668327 RIQNTWHKYNFXPB-VIFPVBQESA-N 413.258 1.177 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@@H](O)c1cn(C)nc1I 2361373051 JNKJKJXCYQIVPZ-NEPJUHHUSA-N 405.305 1.935 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1cnsc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c1ccc(NC(=O)c3ccc(C#N)cc3)c(=O)n1C2 5413654 ZPDTYXQHINQKBG-GOEBONIOSA-N 412.471 1.351 30 10 HDEE biogenic C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 13794935 HEGWYBXKWDNKPF-MGPWXQLLSA-N 422.488 1.486 30 10 HDEE N#CCN(CC#N)S(=O)(=O)c1c(Br)cc(N)cc1Br 37063515 IRLWEUFGFMIKBI-UHFFFAOYSA-N 408.075 1.832 30 10 HDEE CC(C)(C)OC(=O)/N=C(/N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 96330909 VUGXDANDMZWPBG-AWEZNQCLSA-N 408.455 1.986 30 10 HDEE N#C[C@H]1CNCCN1CC(=O)Nc1ccc(Br)cc1Br 97999140 LECLQDPOCZGXMM-JTQLQIEISA-N 402.090 1.947 30 10 HDEE C#CCN(CC(=O)Nc1sc(CC)cc1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 111192513 QDJKFKHPFIDOCF-ZDUSSCGKSA-N 412.533 1.548 30 10 HDEE CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cs1 409748978 KIHHNDUHGMXSCE-KBPBESRZSA-N 403.512 1.609 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O)n1cnc(C#N)n1 409751557 PXDYXYZBZDFLCO-SMDDNHRTSA-N 404.377 1.624 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@]4(CCO[C@H](C)C4)C3)CC2)o1 430256627 JJJOFXONSJVVPC-VWKPWSFCSA-N 417.510 1.162 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1cccc2c1OCCC2 440693789 ABPWYADWAPIMRK-UHFFFAOYSA-N 402.414 2.350 30 10 HDEE COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443342120 JRGMWPUTZQNURZ-UHFFFAOYSA-N 414.462 1.364 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 461757969 UMGDJYSLXOVEII-UHFFFAOYSA-N 402.418 1.924 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCc3nc[nH]c3C2)nn(-c2ccccc2)c1N 462343878 FXJUTXRHDSMYGY-CQSZACIVSA-N 404.478 1.839 30 10 HDEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1 463239445 WRAVMACLKKCIMG-MRXNPFEDSA-N 413.478 1.954 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccc(F)cc1 474345845 OMTQLQNYHAELPA-UHFFFAOYSA-N 422.485 1.771 30 10 HDEE N#Cc1ccc(N2CCO[C@@H](C(=O)C3CC3)C2)nc1N1CCO[C@H](C(=O)C2CC2)C1 480174400 AWQIRMZXERVJMO-MSOLQXFVSA-N 410.474 1.322 30 10 HDEE COCCOc1ccccc1N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489682577 WLCVYJXVMLWJCI-UHFFFAOYSA-N 416.503 1.798 30 10 HDEE Cc1nc([C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C2CC2)no1 497557155 UCFBLZLYUUAXFC-ADLMAVQZSA-N 403.464 1.358 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)c1ccc(Br)cc1 499424663 VPYARZHDBZVVGY-FGBNXSKPSA-N 414.259 1.937 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508917461 CGDRFQKDKPRLKX-UHFFFAOYSA-N 414.495 1.120 30 10 HDEE N#Cc1ccc(OCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)cc1 531842856 PQVAQIWNQXQQCG-UHFFFAOYSA-N 401.444 1.062 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCCN1CCOCC1 539675034 OLVXRYFNHMTTIU-XLIONFOSSA-N 412.534 1.835 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1nn(C)c(=O)c2ccccc12 540107204 IHTUHCSKCXJAAP-UHFFFAOYSA-N 408.418 1.402 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CSCC(=O)N2CCOCC2)n1 543001319 QSPUQNAFJDBVGG-UHFFFAOYSA-N 419.894 1.928 30 10 HDEE Cc1oc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(=O)(=O)N(C)C 545463869 ZLUJLEIVYZGZLI-UHFFFAOYSA-N 403.464 1.067 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccoc4)n3C[C@H]3CCCO3)CC2)c1C#N 549500335 DIHLANOIZWYYQI-QGZVFWFLSA-N 422.493 1.957 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COC)C1 549637175 CWFLJPNRKUGSPR-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2)c(F)c1 553124160 SSLIWCNXZVITQS-QZTJIDSGSA-N 414.481 1.621 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(Cc2ccccc2)C1 564506401 UYEGMYZVMZWHSE-IBGZPJMESA-N 412.515 1.569 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[S@](=O)C(CC)(CC)C1 569262061 DVDKXGMBCMTCHW-WZQKQDCOSA-N 414.597 1.884 30 10 HDEE CCOC(=O)c1c(NC(=O)N(C)Cc2cnn(C)c2C)c(C#N)cn1CCOC 572809659 RRZMQOTWLOWFDV-UHFFFAOYSA-N 402.455 1.889 30 10 HDEE C=CCOc1cc(NCC(=O)c2ccc3c(c2)N(C)C(=O)CO3)ccc1-n1cnnn1 586270082 PKPSUYOOOSBQQS-UHFFFAOYSA-N 420.429 1.877 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](C)C(=O)OCCOC)nc1C 586301986 GJJRIWLYZQNMKL-YBOJIHHZSA-N 418.493 1.060 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)C1 603601832 LXJVAPRNLMMZDZ-SFHVURJKSA-N 417.529 1.292 30 10 HDEE CCOC(=O)c1sc(NC(=O)Cn2cnc3c(cnn3C)c2=O)c(C#N)c1C 603825254 CZFGOBRPWUFFMD-UHFFFAOYSA-N 400.420 1.187 30 10 HDEE COc1ccc(CN2CCN(S(=O)(=O)CCCCC#N)CC2)c(OC)c1OC 609464731 GTKKSKPGVIXRGZ-UHFFFAOYSA-N 411.524 1.854 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)O)cc1Br 618952735 STTFEPUBTGGTPL-AWEZNQCLSA-N 416.297 1.538 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 707630605 FRMADTQNJOXKTH-HNNXBMFYSA-N 403.298 1.544 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 729425385 HLHRDONNACBKIN-DLBZAZTESA-N 408.545 1.725 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 731851059 FFAYPUYFNXQDBA-YPKPFQOOSA-N 421.809 1.746 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732651725 GPZJDZHJVGUCMC-IBGZPJMESA-N 416.547 1.920 30 10 HDEE C=C(COC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OCC 734023317 RUQKGNCWGVXTTI-GASCZTMLSA-N 411.476 1.761 30 10 HDEE COCCNS(=O)(=O)c1ccc(CN[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 739990285 QDXFFOOUSQZOTC-LJQANCHMSA-N 417.487 1.487 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C#N)cc1 740202325 AWZDTMUWCZUMNB-IBGZPJMESA-N 416.455 1.911 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(C)no1 747334027 MZHPLDKYPDXRLF-AWEZNQCLSA-N 405.480 1.334 30 10 HDEE C#CCN(Cc1csc(CNC(=O)c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 750824966 AUSOOPHQNBOEOZ-KRWDZBQOSA-N 403.529 1.695 30 10 HDEE Cn1cc(C#N)cc1C(=O)Nc1n[nH]c(N2CCN(C(=O)OC(C)(C)C)CC2)n1 751391468 JIUZVPMSSVIVEM-UHFFFAOYSA-N 400.443 1.324 30 10 HDEE C[C@H](/N=C1/S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1)c1cccs1 751687407 MTWGXCJSVGSBMC-XGOUXZCKSA-N 424.592 1.966 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 753141349 QHFJZOXUIYRVAX-LBPRGKRZSA-N 415.265 1.928 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 758327254 XGMMSRXQCVKENS-GDBMZVCRSA-N 407.515 1.692 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1OC 761545331 LFHORPFMNWTBAX-CLFYSBASSA-N 401.507 1.896 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)NC[C@@H]1CN(CC(C)C)CCO1)CCO2 774847759 YTGRPGUPXSTLPZ-QGZVFWFLSA-N 405.495 1.671 30 10 HDEE COCc1noc(CN2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)n1 780550803 VIVZZUUKCRNLQD-UHFFFAOYSA-N 400.439 1.124 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ccnn3C)CC2)cc1 781151544 DTUAIOAXJHIXGS-UHFFFAOYSA-N 405.480 1.736 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 783011086 JEPRVJVUNGJXOG-UHFFFAOYSA-N 401.435 1.033 30 10 HDEE CN(CC(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccs1 787059398 GHEAQUDDCMGGRK-AWEZNQCLSA-N 400.416 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(-c3cnccn3)n(CC)c2=S)n1 788366973 SCCBZDWPTAWQEZ-UHFFFAOYSA-N 412.523 1.827 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)n1 788695657 WFEKULLLKVMKBP-UHFFFAOYSA-N 420.466 1.377 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)n1 789324828 UPIYVKZUICYQTD-GOSISDBHSA-N 418.457 1.490 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1[C@@H](CO)C2 794110532 WKGUMASOEDEKAX-OHFALNGGSA-N 405.520 1.512 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)s1 796917027 KGLWVQJEADXJPZ-UHFFFAOYSA-N 421.475 1.932 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 798037364 YULZMOIYJPFEAJ-ILXRZTDVSA-N 404.529 1.412 30 10 HDEE N#CC1(OCCOC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CCOCC1 809081199 DGMBQLMFNRXAEC-AWEZNQCLSA-N 414.505 1.534 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C[C@H]1CCCO1 920394154 HLQOKHFWEHGTHP-GOSISDBHSA-N 407.495 1.904 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)OC)n1 1128667535 KTOBJBNYIIUDGM-UHFFFAOYSA-N 414.462 1.360 30 10 HDEE CN(CC(=O)N1CCCc2nc(C#N)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1130598094 PZQMFLZOBCZMLR-UHFFFAOYSA-N 415.431 1.461 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 1144923969 ZDDHWUAGGFKSGY-INIZCTEOSA-N 411.487 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(C(=O)CCCCC#N)C2)CC1 1148005816 FFWOJHBQWPDNCH-UHFFFAOYSA-N 414.528 1.164 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)C(=O)OC 1161357625 SOAWMPRVNGWNOA-OAHLLOKOSA-N 408.476 1.211 30 10 HDEE Cn1cncc1[C@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1168349196 JFEUIJVSLPUZTO-AWEZNQCLSA-N 404.268 1.340 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)cc1Br 1189297895 FMNDCPGAAKBLHX-BXGCZWRVSA-N 416.272 1.734 30 10 HDEE CC(C)(C#N)CNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1226056262 APCKOGPLEGMGTN-ZNMIVQPWSA-N 421.498 1.760 30 10 HDEE CC(C)O[C@@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOC1 1227632781 PYXKUUGADRIKJH-WIYYLYMNSA-N 400.479 1.542 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)CC2)c1 1230534340 DTTLDNTVMGZZFK-OALUTQOASA-N 416.547 1.599 30 10 HDEE N#CCNC(=O)CNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1 1248538319 YEJBVVDRLXKSBN-UHFFFAOYSA-N 408.300 1.352 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)n1 1251792448 PVTWPZJANCHTKG-GOSISDBHSA-N 420.510 1.090 30 10 HDEE C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1277455586 HWLWTKQTEBTKRN-CJNGLKHVSA-N 414.462 1.857 30 10 HDEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCC[C@H](OC)C1 1277969212 BSKDBCPUAWAVJU-ZTRFORPCSA-N 413.474 1.774 30 10 HDEE C#CCC1(C(=O)N(C)[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1284409661 XFGKHQTXDWAKEL-ROMHJBHXSA-N 400.519 1.679 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1cccc(C(N)=O)c1 1286411596 YPXLRLRZYKATLW-UHFFFAOYSA-N 404.499 1.854 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1nnc2n1CCCCC2 1286458836 DMYPTPKDVKAGHH-UHFFFAOYSA-N 408.510 1.736 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(O)CCCCCC1 1286468629 CWBXKFZPYFOHGN-UHFFFAOYSA-N 403.527 1.572 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1286473428 SGIOMWNKEZGQNA-OPYAIIAOSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCN(CC)CC2)CC1 1286477253 UESIMQDOIQMZPL-UHFFFAOYSA-N 422.581 1.123 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CCOCC)CC1 1286538266 KZTGLBMVGNOCHA-UHFFFAOYSA-N 422.331 1.802 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 1286549191 WCBJXIVARDQFIM-OAGGEKHMSA-N 406.531 1.216 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)CC1 1286664566 YSAAGGSFCQSPDU-SFHVURJKSA-N 423.583 1.305 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@H]1CCCOC1 1286789050 ABLMVFDTHCOGQE-OAHLLOKOSA-N 404.540 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccco2)C1 1286820383 KRWYQRCVKNEZNK-DOTOQJQBSA-N 422.507 1.554 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1286821497 NNDDZPQSDIMRFX-UHFFFAOYSA-N 421.571 1.586 30 10 HDEE CC(=O)NCCCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286955398 NOAKSJZJNXXNHB-OAQYLSRUSA-N 418.542 1.975 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1286959513 HBBFLMKSWAFVOZ-NWDGAFQWSA-N 412.466 1.811 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCOC2)CCOC1 1288321234 GYZQRGQJEHTSJZ-FUHIMQAGSA-N 405.499 1.474 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CC1 1288986456 URMDEJYDFJTDDR-HZPDHXFCSA-N 423.539 1.116 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1291193657 GXBUBKKZZVLENZ-AEFFLSMTSA-N 424.505 1.822 30 10 HDEE CC(C)(C)C#CC(=O)NC[C@]12CCC[C@H]1N(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)CC2 1291721604 QZBCCZDRAUJMAW-SJWLEXSCSA-N 402.535 1.975 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970978 LZTCCEOIBRUGQP-UHFFFAOYSA-N 403.439 1.011 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)nc1 1295210905 HMCHYLAHKWVPKK-GPQLOAJWSA-N 408.462 1.189 30 10 HDEE N#Cc1cn(CCC(=O)N2CCCN(c3ccccc3Cl)CC2)c(=O)nc1O 1297605556 APSQJVMFELBGCV-UHFFFAOYSA-N 401.854 1.603 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1298173876 HCVIGKAVTNRZTK-OAHLLOKOSA-N 412.475 1.400 30 10 HDEE Cc1cc(O)nc(C(C)(C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1300178974 FGHBSZVJRCGTIY-UHFFFAOYSA-N 417.491 1.361 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)COC)CC1 1300381303 BFCBDBQZIKDBCA-HKUYNNGSSA-N 419.526 1.101 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1300404407 YNMPUXMKKFUXKO-CQSZACIVSA-N 419.507 1.433 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1300428526 GZEGACSMDARXEC-WKRCXCSHSA-N 404.511 1.800 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2OCC)CC1 1300697826 KMHRWXLNTAVHGX-IBGZPJMESA-N 422.533 1.626 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301145887 KWRMSDVSABPWNR-UHFFFAOYSA-N 408.510 1.937 30 10 HDEE COCc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1301166904 CCMKETZHXGRWGE-SFHVURJKSA-N 410.478 1.438 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1301305479 ZDXPHTDMRIECGC-UHFFFAOYSA-N 409.537 1.469 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCSCC1 1301587203 RWNCFDSQMLMKTF-UHFFFAOYSA-N 413.594 1.788 30 10 HDEE COCCCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301646574 VPOUYRHSHRLJET-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCC[C@@H]1CO 1303367284 OGTSYIDZFIZZAQ-UZLBHIALSA-N 421.521 1.095 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1303627752 DFYLSUUEKQTDRM-MRXNPFEDSA-N 403.531 1.363 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 1312470432 VHJMOXJHYHXBEQ-UONOGXRCSA-N 415.450 1.690 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1313489532 MRTBNHUOTUOHSL-AEFFLSMTSA-N 421.505 1.305 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1314948942 FCQSNYPDJZGISP-MAUKXSAKSA-N 412.494 1.441 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1315028194 AMNGQESGTSWOCL-NRFANRHFSA-N 412.494 1.585 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 1342228009 GRICFMGNGXLMNE-LJQANCHMSA-N 404.486 1.185 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc(OC)c1OC 1358413658 CPCDUTCMSXDVNM-KMUNFCNLSA-N 404.341 1.740 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1358930016 MLZVDBLZYYLSJV-MRXNPFEDSA-N 415.498 1.047 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962075 JUGDHNGVCZBLED-KURKYZTESA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCO2 1358970364 MVAKTNLXCWPPHQ-JOCHJYFZSA-N 408.458 1.780 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358975701 BECQOMBCWNKCOX-KRWDZBQOSA-N 419.464 1.235 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1358978787 USWSFLDHHQAQFL-GOSISDBHSA-N 412.515 1.501 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1358980399 UBJGISWXMWLNFV-UHFFFAOYSA-N 421.501 1.232 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC 1358984596 BQDSUOCAFVSEBL-QZTJIDSGSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cnnn1 1358987546 KRIMYYVNFJUJOG-UHFFFAOYSA-N 420.477 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CC(=O)N1CCOCC1 1358988442 OXNPEHQFRWPOAZ-UHFFFAOYSA-N 405.502 1.829 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359037623 QFUVCAQRFDSHPO-OXQOHEQNSA-N 401.536 1.226 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC=CO2)CC1 1359043826 KKHAXDYBSSGQLR-LJQANCHMSA-N 406.490 1.999 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1359231259 RJYZEMLBHCGABG-AWEZNQCLSA-N 406.512 1.539 30 10 HDEE C=CCN(c1nnc(Cc2cn3ccccc3n2)n1CCNS(C)(=O)=O)C1CC1 1359252595 YADBCDJFGZOBCX-UHFFFAOYSA-N 415.523 1.221 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1359301972 RVZZXSHXQCKXHN-OAHLLOKOSA-N 416.530 1.532 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(C(N)=O)CCOCC2)C1 1359322152 QJVBNMMNZPBHGL-INIZCTEOSA-N 405.543 1.930 30 10 HDEE N#Cc1cc(Br)c(OC(=O)CN2CCOCC2=O)c(Br)c1 1437082318 MNKALEZXZBRXKQ-UHFFFAOYSA-N 418.041 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2cc3ccccc3n2CC#N)C1 1438994511 BJMUYVBVKOFTSW-UHFFFAOYSA-N 423.473 1.726 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1439865320 XDFDUYNVTPATTH-VXGBXAGGSA-N 403.464 1.123 30 10 HDEE Cn1cc([C@H]2CSCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1449013688 MZBPJOHMUVDEIG-MRXNPFEDSA-N 408.480 1.787 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3cnccc3C#N)CC2)COC1 1450466984 DWMBMNVHEYBTLR-UHFFFAOYSA-N 401.467 1.286 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1452947400 LCDFVGPQCFHCQS-IBGZPJMESA-N 412.471 1.556 30 10 HDEE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1453842121 KPUJCQTYGQQIIV-UHFFFAOYSA-N 405.414 1.471 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1457393695 KIGNGDYHOJFPIQ-OAHLLOKOSA-N 409.464 1.104 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1461544213 PSTLSOOUSAZUDP-OAQYLSRUSA-N 423.498 1.736 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c1 1464261749 OXJPQMACAQQSKX-UWSJRVABSA-N 408.524 1.283 30 10 HDEE CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)s1 1464290427 ABGUHNZEEGHHRW-UHFFFAOYSA-N 412.581 1.673 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1469368360 SAMXQGXEDNPYTK-TVFCKZIOSA-N 424.563 1.919 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2ccc(Cl)cn12 1470344900 SVGHNFJHVFDKBI-NSHDSACASA-N 418.866 1.238 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1470672889 YGWSKGQHCYJFFA-GOSISDBHSA-N 419.551 1.103 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1 1470858595 SQJISUCNSZCAAE-UHFFFAOYSA-N 401.463 1.700 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1470958773 GFTSDXPBRWZVGO-FMPZLKCCSA-N 408.495 1.577 30 10 HDEE COC[C@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1472007326 BWEZJUJRGDMAMH-HNNXBMFYSA-N 409.508 1.159 30 10 HDEE COC(=O)C1(CCCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCC1 1472247288 PJDQALSWVWFBCQ-OAHLLOKOSA-N 421.519 1.855 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(c3c[nH]c4ccc(C(=O)OC)cc34)CC2)CC1 1473814541 LJSBUDZROIUXET-UHFFFAOYSA-N 422.529 1.911 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCO[C@H]1C=C 1490816482 ANNOVNUDHBLCIB-MTSZKFMLSA-N 404.511 1.089 30 10 HDEE CCOCc1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1503028276 AYLBWBGTUMEJJQ-YPWSZFOLSA-N 402.499 1.966 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503553863 UDANYFRPKDNTPT-LZICOFPGSA-N 414.510 1.935 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CCNC(=O)c2cc[nH]n2)c1 1505313604 ALXZSCNBRKWJNM-UHFFFAOYSA-N 406.450 1.197 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1507517114 OREKWYCIJHJKPX-UONOGXRCSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507539102 RAJPJVVYBGXRAQ-GDBMZVCRSA-N 423.539 1.117 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccc(C)cc1 1507613601 NZMCWTUHRQIZEA-UHFFFAOYSA-N 420.473 1.814 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507630614 DDWVTKPTGBXBRC-BRWVUGGUSA-N 417.535 1.451 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507636654 CJERQVXWINEOFK-DLBZAZTESA-N 410.540 1.401 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1507650125 CIWCDEXXHILCPH-QUCCMNQESA-N 407.522 1.995 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1507658991 JRNPQWPUWJIZDP-KSZLIROESA-N 420.535 1.042 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C1CC1 1507661272 QKKVVMAQOBKLQW-JOCHJYFZSA-N 413.522 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(OC)CCOC2)CC1 1507742984 UQIJAVAAMHTKEX-OAQYLSRUSA-N 403.527 1.248 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1507772772 NGUFYONFJAYGIS-RHSMWYFYSA-N 413.931 1.356 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1507797476 LRPGSVDFNJNFAN-HCXYKTFWSA-N 403.527 1.868 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1507925232 BSWNADHAWZRGON-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](COC)C1 1508086024 KIHOXVDKXNQIIE-CQSZACIVSA-N 421.448 1.301 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1508086972 MUHXCNFWKLYANY-UHFFFAOYSA-N 411.510 1.578 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OCC)CCOC1 1508098040 NDIRTIHWOUAROK-FQEVSTJZSA-N 402.499 1.362 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1508360399 HKZRCKPLNATREV-HXUWFJFHSA-N 424.505 1.585 30 10 HDEE CCOCCC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1516673095 RYKKPCLBWSDAIP-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(S(=O)(=O)C(F)F)c1 1517927867 FPTNNTXXYHALBM-GFCCVEGCSA-N 421.429 1.695 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 1529399060 SDMYCGXPDAEKPZ-MRXNPFEDSA-N 420.472 1.997 30 10 HDEE C=CCC1(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)CCOCC1 1533721508 DAKUGUXUFBTJSZ-UHFFFAOYSA-N 409.527 1.993 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnn4cccc(Br)c34)C[C@H]1CS(=O)(=O)C2 1536179721 LXDHXJCHUSMLCE-BONVTDFDSA-N 409.265 1.107 30 10 HDEE COc1cc(N2C[C@H](C(=O)N3CCO[C@](C)(C#N)C3)CC2=O)cc(OC)c1OC 1536619254 MWAFUTGOADOCMF-ZUOKHONESA-N 403.435 1.206 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1539025855 NPFQAVUHJWNBSM-HNNXBMFYSA-N 406.490 1.193 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1539139125 BUHZCKYBBHRVCB-RXVVDRJESA-N 403.527 1.696 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1539202130 GHCDWDSCYSKWOX-AWEZNQCLSA-N 408.553 1.431 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1539344059 WROYRHSGOUWOPT-HNNXBMFYSA-N 405.524 1.795 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1539345451 UTZDEJBAPILNBS-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](CC(=O)OCC)c3ccccc32)C1=O 1539410818 IVBJXFVSSMHJDM-AWEZNQCLSA-N 413.430 1.437 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539849002 SNTCIXWCPKEZTH-DLBZAZTESA-N 409.556 1.610 30 10 HDEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539916319 JRJFOMCUTFJGPO-MRXNPFEDSA-N 400.527 1.685 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCNC(=O)C2CCC2)C1 1540889771 TXMZNKIEHCWZPG-QGZVFWFLSA-N 411.510 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](OC)C(C)(C)C1 1540902282 FPERCCDJWCYHFN-CVEARBPZSA-N 412.556 1.634 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1541477479 GXBUNRQIAYCMNK-GOSISDBHSA-N 411.510 1.485 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 1543842684 XTLIDHAKOAZRQI-IBGZPJMESA-N 405.539 1.818 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)NCCNc2ncccc2C#N)C1 1544055283 IDHJHBZIESFSNL-FOIQADDNSA-N 401.467 1.365 30 10 HDEE C#CC[C@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccccc1 1545886106 RDDSEIMAVYTHOK-SFHVURJKSA-N 405.458 1.602 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCC(=O)NCc1ccccn1 1546143534 MPFWRNDVFXRTEJ-INIZCTEOSA-N 403.483 1.791 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1548076156 KLSOSLYDNCPYGT-WBOSRHFRSA-N 412.494 1.360 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCN(C)C)c1 1555012219 PLCCVGHEUJZLME-SFHVURJKSA-N 400.483 1.261 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1556375849 UJDOEMJHVUNTCE-OXQOHEQNSA-N 408.426 1.598 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1 1557552182 ZMIYXDCFGAESOY-BTYIYWSLSA-N 420.510 1.835 30 10 HDEE CCn1nc(C)c(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C 1557840098 ZKQCMVHPXIOLMD-AWEZNQCLSA-N 403.508 1.717 30 10 HDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC#CCN1C(=O)c2ccccc2C1=O 1559949887 OVTVBNUHEBOTJV-BBRMVZONSA-N 407.392 1.817 30 10 HDEE COC[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(N)=O 1566478949 XBNJCROEKCLYHV-CVEARBPZSA-N 402.451 1.009 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC 1568154300 FXZSGQLUYLSIIM-QGZVFWFLSA-N 403.284 1.768 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1568429656 WVGMXYSIILVCKC-HOTGVXAUSA-N 413.540 1.320 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1583705298 OGSWSKFLFQSHIJ-QGZVFWFLSA-N 406.504 1.685 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCO[C@@](C)(C#N)C2)C1 1585431264 AUKKALLJHZECIW-DZFGPLHGSA-N 401.463 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1588228094 ANNYPJSMVREXGX-ZWKOTPCHSA-N 421.492 1.601 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)COC)CC1 1588954923 MLAIRKBSVSRZGN-UHFFFAOYSA-N 424.549 1.902 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1589150745 KFGKFWTZBAVSDU-DNVCBOLYSA-N 402.524 1.632 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCOCC1 1589258963 FSMWKWHALZFRRE-CNNODRBYSA-N 417.554 1.717 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1593873105 QVMNNAJWMPELTO-LBPRGKRZSA-N 406.874 1.850 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](O)Cc2cccc(Cl)c2)cc1 1594484979 AVYPKJYWJRUCSI-GOSISDBHSA-N 406.891 1.846 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)C2(CCC2)C1 1595466265 HSIBMRULYXWUOP-INIZCTEOSA-N 400.527 1.833 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2OC)C1 1595715072 RUMVNHYWWBTRGA-JFIYKMOQSA-N 400.483 1.568 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1cc(Br)ccc1-n1cnnn1 1597739136 ZQCNOOOHVNTFLZ-UHFFFAOYSA-N 413.239 1.533 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1614079733 HCUKSLQMIWSZMA-XMSQKQJNSA-N 424.505 1.605 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C)(C)CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1618384326 OSGZDMHXMLKIKG-HTXNQAPBSA-N 424.509 1.831 30 10 HDEE CN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C[C@H](O)c1cccc(C#N)c1 1619904460 GNEKKQTUTDQQMA-IBGZPJMESA-N 401.488 1.243 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1 1622579969 RXQXMMNIASSCNE-BEFAXECRSA-N 407.492 1.502 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 1625196313 BKVZURZHJRCRBS-AWEZNQCLSA-N 409.265 1.795 30 10 HDEE COc1ccc(C#N)cc1NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1625946351 AZYWFNXQOIBUIQ-HNNXBMFYSA-N 409.851 1.498 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 1626205326 FFWULAHXQZPLMW-QGZVFWFLSA-N 400.456 1.970 30 10 HDEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1627628650 WCXRUPOXVJGTHN-UHFFFAOYSA-N 417.491 1.755 30 10 HDEE C=CCONC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1627707093 DFIPHMVYEJQAFM-UHFFFAOYSA-N 416.272 1.983 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c1 1628564647 DQBXDWZHDCQNHA-FCHUYYIVSA-N 424.545 1.739 30 10 HDEE N#Cc1ccc(CCNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 1629243210 ZNEYUYYBHYQZGK-SFHVURJKSA-N 404.426 1.147 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1630864120 FBRLLKIQXPJQCF-RZQQEMMASA-N 410.536 1.530 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccncc2)C[C@H]2CCCO2)cc1 1632707544 GUTUKGVJRGRXCF-GOSISDBHSA-N 414.487 1.439 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)c1 1637474841 CDSRDXSTXUBUDM-MRXNPFEDSA-N 406.504 1.193 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1639558361 IFZWYZGYBBYCFA-GOSISDBHSA-N 404.463 1.896 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)c1 1639986335 XRURYQNIOBNAHQ-LJQANCHMSA-N 410.492 1.382 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)s1 1640452228 YGMIMUHMOZQWGP-CABCVRRESA-N 413.565 1.077 30 10 HDEE O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCC(F)(C(F)(F)F)C(F)(F)F 1641763066 PIWCHRGJERCEBK-XFFJFQIUSA-N 420.281 1.488 30 10 HDEE C[C@H](c1ccccc1)[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1642163178 HYYMXRXCEZRSKJ-DNVCBOLYSA-N 401.488 1.773 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CC1 1643516896 WYAXFXFBARWEJK-KRWDZBQOSA-N 413.474 1.831 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 1644099233 JLRDFEWJTWTAHL-QFIPXVFZSA-N 405.506 1.468 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCCC#C[Si](C)(C)C)c1ccc(S(C)(=O)=O)cc1 1645187508 OHHRBWZTTANMRW-IBGZPJMESA-N 408.596 1.829 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2n[nH]c(C)c2C#N)cc1 1645595729 HYUFUVFTVGEQAN-KRWDZBQOSA-N 415.475 1.974 30 10 HDEE C#CCN(CC(=O)N(CCCC)c1c(O)nc(=O)n(CC(C)C)c1N)C1CSC1 1647549501 QNIBSYNFEXEGOV-UHFFFAOYSA-N 421.567 1.371 30 10 HDEE O=C1C[C@H](CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1648125984 WTKJOZYMPSULLC-VQVTYTSYSA-N 408.245 1.669 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CC1 1650951946 WGHQNWUPODWAGV-INIZCTEOSA-N 407.536 1.436 30 10 HDEE COCCCN(Cc1cncc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1653737944 JUMKCNHUVCRCED-UHFFFAOYSA-N 420.473 1.889 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 1654032888 XLTKMLDSUWADCL-ZDUSSCGKSA-N 418.498 1.281 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC#Cc1ccc(OC(F)(F)F)cc1)C2 1660567153 CGXGBFULFUXVMD-INIZCTEOSA-N 407.396 1.809 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)NCCOc2ccc(I)cc2)C1 1680484423 WTFJGGPCBUGOSZ-HNNXBMFYSA-N 415.231 1.730 30 10 HDEE C=C(C)CONC(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1682401903 QZTVNXLXUJECQP-UHFFFAOYSA-N 404.511 1.579 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)C1CCOCC1 1682887151 HPJSVWCPXUTURK-HXUWFJFHSA-N 416.497 1.311 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCS(C)(=O)=O 1689921221 YTZKNHVSLDDIMW-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1689945705 IEPXPNXQGGIBKO-HNNXBMFYSA-N 422.530 1.229 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(Cc2ccccc2)CC1 1689946538 RXLLNXOESREBRA-INIZCTEOSA-N 401.536 1.981 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689986258 LVRJSPMXBYAWRY-RDJZCZTQSA-N 403.508 1.249 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1689989924 JUKCNDJKSNDKBO-QGZVFWFLSA-N 418.567 1.699 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1689991753 BYWJYLKYJRRFLD-LJQANCHMSA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690000286 XVCGXZCINZGNLH-MSOLQXFVSA-N 417.579 1.853 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1690015393 KVBSEMAQDKWGGP-IBGZPJMESA-N 413.485 1.751 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690245239 GBMKDDYNXHPRPI-OTWHNJEPSA-N 403.527 1.868 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1690450028 YEBHPIQGTALFHS-UHFFFAOYSA-N 410.526 1.987 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690524522 NFBDZLDPTBVLLG-KBPBESRZSA-N 416.448 1.505 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1690727282 ZJJWWFJFTHYYKM-CALCHBBNSA-N 401.536 1.957 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690739978 FJLMYESXEVRGOS-KGLIPLIRSA-N 410.569 1.912 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1692850751 AJTYUWXEBHCEBL-GUYCJALGSA-N 417.482 1.592 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C)C1=O 1694323296 CIAWFZGZHONWBJ-NRFANRHFSA-N 415.542 1.805 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1705504252 QZBOSGCURAIGID-HAGHYFMRSA-N 419.570 1.817 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@@H]1C 1705584688 UHEUXWIOWSLUHD-IBGZPJMESA-N 417.517 1.310 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1705612146 AKVRTMYGVHXGEX-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(N)=O)c1 1705843587 JICJNRPHRULEHG-MRXNPFEDSA-N 403.508 1.144 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705905608 AWFSNULORAIUFN-MRXNPFEDSA-N 416.570 1.910 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN(C)CC(F)(F)F 1706076577 AHYKWXDEZNUIPR-CYBMUJFWSA-N 401.437 1.490 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1708153409 WYPXTYWZXDOOPI-QFBILLFUSA-N 422.489 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)NC 1722295577 ULZASSBLZXMJRA-HNNXBMFYSA-N 418.542 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1722301804 NQVBQSIGUDZBLE-LJQANCHMSA-N 423.565 1.189 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722306099 GVAURPUYOORJNL-NVXWUHKLSA-N 400.527 1.715 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722368903 XCUOXEFSHSUUMP-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc2O1 1722373269 GNRWGGGJNVQYPO-WZONZLPQSA-N 422.485 1.843 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1722381554 RPRITJXVJDCSSK-INIZCTEOSA-N 422.455 1.576 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)C(C)C)CC1 1722433185 OHLKNISGUPIASJ-RXVVDRJESA-N 405.543 1.356 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1722435103 BJWJSZFDSLNMCV-IBGZPJMESA-N 413.547 1.668 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](C)N(C)C)CC1 1722450016 UEXZQSPHDDISEG-KRWDZBQOSA-N 400.571 1.927 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1CCS(=O)(=O)CC1 1722469651 DJGZWBAXBDMLFV-LJQANCHMSA-N 402.524 1.496 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722526110 NZOQKTNONJAQAP-NQIIRXRSSA-N 416.526 1.997 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1722530572 WUMVHINCBMVJJB-NRFANRHFSA-N 413.478 1.968 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1722577383 FQNAIDOPBMRVHJ-HXUWFJFHSA-N 416.570 1.739 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722740544 PYYDDTJLJQFTAB-YWZLYKJASA-N 421.567 1.923 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1726775432 HJSMLBZFNOUQGZ-XOBRGWDASA-N 409.450 1.746 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1728655366 CEPNIYHRIVZAQZ-FOIQADDNSA-N 413.526 1.666 30 10 HDEE CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1729723939 LPJXNUALQHBGMH-MSOLQXFVSA-N 421.505 1.280 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)C1 1731182933 PXKKHDCWARGPII-FQEVSTJZSA-N 417.489 1.149 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740552284 NSHFNAWULIXUPT-HUUCEWRRSA-N 405.499 1.534 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740565004 GFJNTERFYJEAMN-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1Cc1ccc(C(N)=O)nc1 1740641653 MJYLFECWEODJPB-UHFFFAOYSA-N 414.469 1.781 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1740668050 AOYBWHXSGIATDP-SFHVURJKSA-N 408.506 1.574 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1740715670 DLCTXMNWMXLUMR-LSDHHAIUSA-N 404.540 1.091 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)CNC(=O)C2 1740720732 KYCQIWNRCJGMPF-UHFFFAOYSA-N 410.547 1.737 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1740918919 WQWJXBRNYWVXSH-QGZVFWFLSA-N 417.535 1.509 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)c2ccccc2C1 1740957291 IXYDAIHPEOPRCO-UHFFFAOYSA-N 406.494 1.437 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740958487 QIBHXFYTJMXJKV-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1740980959 NDEOFPRJVSZLSJ-ROUUACIJSA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2csc(CC)n2)CC1 1740986889 KDNQRPWQFGRXMJ-UHFFFAOYSA-N 424.596 1.528 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740999726 DQKMPTMBHBFEDR-MRXNPFEDSA-N 416.555 1.638 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1743821237 HATWYKLUFJVGCT-QRWLVFNGSA-N 417.535 1.849 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC(F)F 1744688856 GJGVQOQPRCHLQI-UHFFFAOYSA-N 408.457 1.710 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748753697 RXLSESIXCMOSOY-UHFFFAOYSA-N 408.553 1.530 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748817649 NOEGEFNWMSZFTK-RTBURBONSA-N 421.611 1.978 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1748935585 YGDLIXBIRCSIRK-HZPDHXFCSA-N 417.535 1.781 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1749037035 AMONOQFROSUCNO-QGZVFWFLSA-N 405.568 1.843 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)OC)CC1 1749043062 DDONAFFLVOJLMW-UHFFFAOYSA-N 416.551 1.896 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@H]1C 1749082525 ANSLCSXTUKZOAE-GFCCVEGCSA-N 411.304 1.090 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749450729 RBMWSNKVUMNGBD-MRXNPFEDSA-N 402.499 1.023 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCO[C@H]1C 1749482205 CZSRBTPTROAOSB-LIRRHRJNSA-N 420.539 1.400 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1749627081 BMWJSIWZPJWMRO-MISYRCLQSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2cccn2)CC1 1749670440 RJZTVBBMQZQCCA-GOSISDBHSA-N 413.526 1.935 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCCc2cnn(C)n2)C1 1749714428 JXRPDQHJVDQBOX-IBGZPJMESA-N 408.510 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1749734964 OUTFZHISZKDIBY-OAHLLOKOSA-N 407.544 1.547 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1749944588 YWTIIBPHNOFMBV-QZTJIDSGSA-N 420.558 1.710 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnnn1CC1CC1 1760105247 MSTSMPBGMCMVFB-CQSZACIVSA-N 422.493 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760117923 VUYAVYCCQDZRTL-RDJZCZTQSA-N 417.535 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1760125533 QVYKCDMDZJGBAL-QCBUCWTNSA-N 424.567 1.204 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760138106 REQUTAZNKGOOIP-RCCFBDPRSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760190953 XMOUYXAQEQPNMH-QGZVFWFLSA-N 417.535 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(OC)CCOC1 1760221212 NVUGSYSJKONGOX-QHCPKHFHSA-N 418.501 1.785 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1760233043 PKTGDVLYCHUAKB-MRXNPFEDSA-N 419.489 1.968 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1760451349 GFCFMHSLMHHXSU-UHFFFAOYSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@H](C(=O)OC)C1 1760517064 BGLSNLOOAVFDFV-HNNXBMFYSA-N 409.446 1.993 30 10 HDEE CCCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765910837 SOUZPPXBDNDYQD-NIQRWSHPSA-N 418.498 1.303 30 10 HDEE CN(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1766934842 RTCVXPBFOJGREJ-IBGZPJMESA-N 419.461 1.026 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CC1 1767827413 FRDKNLMTQQGGDL-SFHVURJKSA-N 407.478 1.971 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCOC[C@H]1C 1771113068 HWFIXMXLYVXODC-IAGOWNOFSA-N 404.515 1.440 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C)C(=O)NCC#CCN2CCOCC2)c1C 1850070008 MKRCLSCJRKKSKS-LJQANCHMSA-N 421.563 1.039 30 10 HDEE N#CCOc1ccccc1C(=O)O[C@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1850544609 IVRYRZWJHFIVAG-PKOBYXMFSA-N 419.437 1.758 30 10 HDEE N#Cc1c(F)cccc1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851176015 LASBMSOCSVVVGN-LJQANCHMSA-N 401.463 1.978 30 10 HDEE C#CCN(C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1)C(C)C 1852270298 RUWSWQOHFJTMLO-FQEVSTJZSA-N 401.532 1.680 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)n1 1852551193 QOLIAZZWGLRMLH-UHFFFAOYSA-N 404.430 1.073 30 10 HDEE CC[N+]1(C)CCC(N(Cc2nnc3cc(-c4nc(C)no4)ccn23)C(=O)CC#N)CC1 1853539535 DERUXVYRLQAPEA-UHFFFAOYSA-N 423.501 1.959 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1854178311 SWNURUQSGVAWAJ-ZWKOTPCHSA-N 401.507 1.784 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(Cc3ncnn3C)c3ccccc32)CC1=O 1854275901 FPKMCJBUBFSCKA-HNNXBMFYSA-N 408.462 1.120 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cccc(Cl)c1 1854625485 ULMASVFBYIABKZ-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2c(Cl)cccc2Cl)CCN1S(=O)(=O)CC#N 1854723105 RUTPMANZPCPSRN-NSHDSACASA-N 418.302 1.839 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN(CCN3CCCC3=O)c3ccccc32)ccn1 1855002657 GODSFUYALDJXSR-UHFFFAOYSA-N 403.442 1.959 30 10 HDEE C[C@H]1CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855420908 USRPFPYOZCVMOK-YJBOKZPZSA-N 403.504 1.589 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1855698073 KUBNJJUSQKEVCA-INIZCTEOSA-N 418.519 1.305 30 10 HDEE Cc1cc(N2CCN(C[C@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)ncn1 1855889019 MHOUFCHIWZSSLW-GOSISDBHSA-N 404.474 1.468 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1855961374 LQYCDDXIVJONPJ-SJLPKXTDSA-N 407.478 1.051 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCC(F)(F)F 1855987509 VNQPUMYKOGFMFO-UHFFFAOYSA-N 403.382 1.979 30 10 HDEE COc1cccc(OCC(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)c1 1856271472 VGOYQKDZSAGHQJ-UHFFFAOYSA-N 409.442 1.695 30 10 HDEE Cn1nc2c(c1CN1CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C1)CCCC2 1856396271 ZVYHOGDXANUJCF-UHFFFAOYSA-N 405.502 1.974 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856671872 MGRJURHEUCDFSE-GJZGRUSLSA-N 403.476 1.673 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ncoc2CC(C)C)C1=O 1856757322 UTXOGBFOSWLKES-CVEARBPZSA-N 402.495 1.723 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1 1856771335 TXOTWSHQQSHGKH-KRWDZBQOSA-N 418.519 1.157 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CC(Oc4ccccc4)C3)C2=O)CC1=O 1857251999 VMKZBBRHKDZLJU-YLJYHZDGSA-N 411.502 1.692 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)C[C@H]3CCCO3)C2)CC1 1857378448 VTAMIWYORAHZRM-IEBWSBKVSA-N 411.506 1.410 30 10 HDEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ccccn2)CC1 1858110954 BBYOHDVGHKHVQL-MRXNPFEDSA-N 413.503 1.680 30 10 HDEE C=CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861506405 STYKPTBPCMPGQK-HNNXBMFYSA-N 405.454 1.946 30 10 HDEE COc1cc(C(=O)NCC(=O)Nc2ccc(C#N)cc2[N+](=O)[O-])cc(OC)c1OC 1865873240 YUOGGHXCAHGPOR-UHFFFAOYSA-N 414.374 1.861 30 10 HDEE COCCCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931968 NUZXKVXHKVSHEH-QGZVFWFLSA-N 401.488 1.489 30 10 HDEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN1CC(O)C1 1870442198 PULOMCCHJXSIBZ-UHFFFAOYSA-N 407.474 1.430 30 10 HDEE O=c1c(Cl)c(N/N=C/c2ccc([N+](=O)[O-])cc2)cnn1[C@H]1CCS(=O)(=O)C1 1873529807 ZZSOAIJKOCKTHU-SMWBLXLWSA-N 411.827 1.611 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cn(C)c2ccccc12 1874433900 CNYLWBBXPCRLGV-DNTJNYDQSA-N 400.464 1.553 30 10 HDEE C#CCn1ncc(NC[C@H]2COCCN2Cc2ccccc2)c(Br)c1=O 1880739148 SIFUSWVXBWLOQF-INIZCTEOSA-N 417.307 1.952 30 10 HDEE COc1ccc(N2C[C@H](CNS(=O)(=O)c3ccccc3C#N)OC2=O)cc1OC 1891436695 XOXMKZHQAKVPPT-HNNXBMFYSA-N 417.443 1.879 30 10 HDEE N#Cc1ncccc1OCC1CN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1891613673 NAZSGNIJVFMJMF-UHFFFAOYSA-N 401.444 1.814 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985100282 DQECGWOOVDGSDV-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE C=C(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)OCC)B1OC(C)(C)C(C)(C)O1 1991971713 VRQZLTWOHSHJGT-ZDUSSCGKSA-N 412.292 1.747 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010398008 UUCQDNCYLNQVNK-CQSZACIVSA-N 423.319 1.545 30 10 HDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2062445491 YQRBAOPBNMXWAI-RYUDHWBXSA-N 413.272 1.031 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@]2(=O)CC[C@@H](NC(=O)OC(C)(C)C)C2)cc1C#N 2174782088 MLSDJPBWFQLWMA-SRGMZFCMSA-N 414.509 1.715 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)cc1C#N 2174787013 PMAKVYZATRADMO-GFCCVEGCSA-N 408.402 1.996 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2255653270 GRHWNPDCQVPRJD-DZFIZOCASA-N 422.338 1.580 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCCO[C@@H](CN)C3)c2Cl)OC1(C)C 2281939103 BZDCGDAHLZRZBM-NSHDSACASA-N 400.737 1.891 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)c3cscn3)s2)OC1(C)C 2282332616 DOWSDDTXEKTGMO-SNVBAGLBSA-N 416.355 1.516 30 10 HDEE C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333081 KJJIOOUPWOVGJI-GXTWGEPZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3(CN)CCCCC3)c2)OC1(C)C 2282337594 MDRAEFGTYCTXTP-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE COC[C@H](CF)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282493469 WLUGUKRVSMFHDR-LBPRGKRZSA-N 407.338 1.927 30 10 HDEE CCN1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282495574 OCQPSMGRCQSQRV-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC(C)N(CCN)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282498383 COIDMQVCVQFCTJ-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC(F)(F)CO)c1B1OC(C)(C)C(C)(C)O1 2282501580 YXQPKJFLUIZNBX-UHFFFAOYSA-N 411.301 1.570 30 10 HDEE C[C@@H](O)[C@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502151 HFIACSYVUVWRQO-DGCLKSJQSA-N 402.347 1.117 30 10 HDEE CNC1(CNS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CC1 2282502386 KHUDBCXQRDNYTC-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@H]3COC[C@H]3O)c2Cl)OC1(C)C 2282647054 XHBQXFUPQHKUIG-CMPLNLGQSA-N 401.721 1.828 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2C[C@H]2C(F)F)OC1(C)C 2282832277 MMYWJUGBHKARJD-VHSXEESVSA-N 408.301 1.763 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(C)CCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282833588 JAGHZRPZWPBUAJ-SJCJKPOMSA-N 401.359 1.938 30 10 HDEE Cc1cc(S(=O)(=O)N=S2(=O)CCNCC2)sc1B1OC(C)(C)C(C)(C)O1 2282842019 RJCUODGIKPICQP-UHFFFAOYSA-N 420.387 1.116 30 10 HDEE C[C@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282848890 TYKZXEGRXWUAKQ-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1N 2282851900 IVPAUWBQYAFNIN-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CCC(N)CC2)OC1(C)C 2282854801 WGBSFJZCDDPIKA-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@](F)(CO)C3)c2)OC1(C)C 2282858659 AEXHDCHUGDMACF-MRXNPFEDSA-N 405.322 1.532 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)O1 2282867046 SJRYVAOOZZYZMX-STQMWFEESA-N 401.359 1.986 30 10 HDEE C[C@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282874267 YBFHRGUQWDRJOB-XHDPSFHLSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCC2CCNCC2)OC1(C)C 2282882601 OFCHYMTYKLHKLV-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCOC2=O)OC1(C)C 2284248708 JMIDTLRKVVDVDM-GFCCVEGCSA-N 401.677 1.233 30 10 HDEE C[C@H](CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284393093 GOHSQMJMSJOXLS-LLVKDONJSA-N 403.331 1.530 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2289606006 ZHCUUBOLZPEYOL-KGLIPLIRSA-N 405.517 1.850 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 2300229733 AFVTUNPESITYFE-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367794844 BOWAJYKXPPWWNP-OAGGEKHMSA-N 401.525 1.590 30 10 HDEE CC1(C)OB([C@]2(C)CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2368352461 XUAJMGUEQMCOAL-CXAGYDPISA-N 403.375 1.992 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)c2C#N)C1 13790340 LKCPGQUDHDCVRH-GFCCVEGCSA-N 410.521 1.134 30 10 HDEE CN(O)C(=O)c1cc2c(CN3CCNC(=O)C3)cn(Cc3ccc(F)cc3)c2cn1 38239352 YTWDEGGJCJTNOH-UHFFFAOYSA-N 411.437 1.617 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NC3CC3)n[nH]2)c([N+](=O)[O-])cc1O 59040077 CSBPAKZLKUYLFS-OMCISZLKSA-N 407.412 1.244 30 10 HDEE N#CCCN1CCN(C(=O)c2cccc(N3CCN[C@H](c4ccccc4)C3)n2)CC1 65256307 YXPCVZFHEQBTCK-NRFANRHFSA-N 404.518 1.904 30 10 HDEE O=C1C(=O)N(CCO)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102570930 WVCZFYCIMGZLDA-CFBLSMTOSA-N 413.342 1.917 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ncnn2-c2ccccc2)CC1 410318378 WTUZIBWRUYKUCJ-UHFFFAOYSA-N 408.487 1.645 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)cc1C#N 427218862 VZIXLAMVKYANJG-KRWDZBQOSA-N 400.460 1.659 30 10 HDEE CCC1(CC)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCS1(=O)=O 428701289 QSQBFIDHCYAZMO-UHFFFAOYSA-N 412.533 1.289 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 434794035 MKVUXNAFHMXWAP-YJYMSZOUSA-N 401.492 1.693 30 10 HDEE COc1ccc(C(=O)Nc2snc(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 439295157 JQWUIKZLYUJVMH-UHFFFAOYSA-N 422.488 1.605 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)[C@H](C)C1 461695769 LZDMMFWEKJENOG-APWZRJJASA-N 424.505 1.822 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 481452705 TVQCRYWGUZQVQW-YOEHRIQHSA-N 415.519 1.676 30 10 HDEE COc1cccc(C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482170597 NGAKKUHVCVNCBN-CABCVRRESA-N 401.488 1.981 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCC2CCN(CC(F)(F)F)CC2)CC1 484039716 HIWYLFXFVVLHBU-UHFFFAOYSA-N 419.492 1.280 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C(=O)CCC2 487340666 QIEZQKOVKFQNCL-JTQLQIEISA-N 404.473 1.839 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)NCc3ccn(C)n3)c2)c1 498500706 XNQIJVXZTYQGSA-UHFFFAOYSA-N 416.437 1.861 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 504038610 OPDYGNMDQKXBPG-UHFFFAOYSA-N 412.490 1.037 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)cc2)c1N 513575271 VKRALXAMHISWRX-UHFFFAOYSA-N 414.491 1.013 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539452346 BZPOYAJWPBYRFH-ZWKOTPCHSA-N 417.579 1.790 30 10 HDEE C=CCNC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 540338774 WOROENLYWQICPC-UHFFFAOYSA-N 405.480 1.835 30 10 HDEE C=CCNS(=O)(=O)c1ccc(-c2nc(-c3ccnc(S(C)(=O)=O)c3)no2)cc1 545675811 TUFAXDQIKYPGQL-UHFFFAOYSA-N 420.472 1.666 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](Cn2ccc(C(F)(F)F)n2)C(=O)O)ccc1F 547874171 QIGQRNJMCITQBE-LLVKDONJSA-N 406.317 1.344 30 10 HDEE C=C(C)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 549669877 QPCGEVVBYQNSJA-UHFFFAOYSA-N 406.468 1.582 30 10 HDEE CC[C@H](CO)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553840007 OBHBPPFMLGIPDB-GFCCVEGCSA-N 402.314 1.398 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 559028929 GHVPQKVWJRCQOO-CABCVRRESA-N 418.502 1.110 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cccc(CN2C(=O)CNC2=O)c1 570479308 FPPMBIOWRWGMFF-UHFFFAOYSA-N 406.442 1.899 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CCC1)CC1CC1 577785603 SVNUGKXAYAIUHP-QGZVFWFLSA-N 409.556 1.814 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C1CC1 580707520 KCSHQNKJSBEUKM-UHFFFAOYSA-N 418.400 1.384 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 685537154 VRNGZKJAPHIXCW-UHFFFAOYSA-N 400.487 1.104 30 10 HDEE C#CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@@H]1CCS(=O)(=O)C1 729335033 GPGOCBNKUKWABX-CQSZACIVSA-N 405.457 1.981 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 731886703 CMMUWRUJOIIGID-ZZEZOPTASA-N 413.434 1.841 30 10 HDEE C#CCN(C(=O)c1csc(CNC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 732756442 GIOUKYBOMLSWNT-LBPRGKRZSA-N 413.521 1.430 30 10 HDEE CC(=O)[C@@H]1CC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)=NN1c1ccccc1 733676032 QWZFQJJCJROSQA-IBGZPJMESA-N 410.455 1.728 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 735771147 KQBWYMVVZPVVHB-RDJZCZTQSA-N 423.491 1.350 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 740182842 GCRAXNIZLMZNLF-QGZVFWFLSA-N 402.428 1.880 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)cc2C)cc1C#N 747495926 UUZOQXWKVDYCTN-UHFFFAOYSA-N 408.458 1.967 30 10 HDEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1-n1nnnc1C1CC1 753905841 SEEZLFHUMKXVNA-INIZCTEOSA-N 408.466 1.752 30 10 HDEE C[C@H](CC(=O)NC[C@@H](CO)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 755836859 RRMSKFAAKJCXET-ZBFHGGJFSA-N 401.488 1.396 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21 757479545 REQJXPJKAGGMEP-JLTOFOAXSA-N 422.437 1.479 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)[C@@H]1CCS(=O)(=O)C1 758438194 LJXOJZFBHWQNQH-QWHCGFSZSA-N 415.437 1.558 30 10 HDEE CC(C)CN(CC(F)(F)F)C(=O)CON=C(N)c1ccc(S(C)(=O)=O)cc1 762740813 SZFUTVKNIYVQOS-UHFFFAOYSA-N 409.430 1.774 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 763783184 PWSSLSNWHIHIFT-SJLPKXTDSA-N 418.471 1.156 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1 765124749 RDROBTIJULMWKU-XMHGGMMESA-N 406.424 1.393 30 10 HDEE C#CCN(C(=O)NCc1c(C)nn(Cc2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 774158324 VYWUVCBAXAHVFU-LJQANCHMSA-N 414.531 1.880 30 10 HDEE C#CCN(CCCCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 782949033 AQUHWAFHDBFTKG-KRWDZBQOSA-N 402.516 1.965 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1C#N 785608299 ZYVDELZXHHGPKL-LJQANCHMSA-N 421.432 1.961 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(-c3nnnn3CC)c2)n1 788609237 NTIWZZRYZXIWGY-UHFFFAOYSA-N 408.466 1.870 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)S/C1=N\CCc1ccccn1 790016655 NPVGPLOKXQDVDV-YOFUESFFSA-N 417.579 1.791 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(-c3ccc(OCC)nn3)c2C)n1 790108656 ACYSASBNRNKECH-UHFFFAOYSA-N 423.477 1.488 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 790822890 WXSGKLYIBIHTMS-YWZLYKJASA-N 406.483 1.956 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F 795805765 MYSUONDTFHRETD-SNVBAGLBSA-N 423.871 1.077 30 10 HDEE C#CCC[C@@H](O)CNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 799077506 IQQSTDQNHPXQSD-MRXNPFEDSA-N 411.487 1.964 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 800783177 PWPJJTQYOZGLIX-KRWDZBQOSA-N 423.514 1.615 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 809929487 WGTPBNUUMKTKTE-LSDHHAIUSA-N 420.514 1.439 30 10 HDEE COC(=O)[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 813318442 VEYQNFKXYFQHHS-LJQANCHMSA-N 419.434 1.069 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC(CO)(NC(=O)OC(C)(C)C)CC2)cc1C#N 813700017 UOQDEJZBXCBHPE-UHFFFAOYSA-N 410.496 1.302 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)n1 856588711 ZEXOHYKAAMJOCO-KRWDZBQOSA-N 412.418 1.540 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC(=O)NC1CC1 914540121 POGJUVNVCJDGLC-INIZCTEOSA-N 400.504 1.874 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)Nc1nncs1 1084201131 NZSSMWBXWRYIPZ-UHFFFAOYSA-N 421.424 1.447 30 10 HDEE CSc1nc(O)c(C(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1C#N 1116816832 KNBKYXWMIWVCSJ-UHFFFAOYSA-N 410.463 1.806 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 1128855371 BVCWMLKLBTVHRY-HUUCEWRRSA-N 416.544 1.456 30 10 HDEE COC(=O)[C@H](CCC(=O)Nc1c(C#N)c(C)nn1C)NC(=O)OCc1ccccc1 1130755784 CZUKYJAFAKICCQ-INIZCTEOSA-N 413.434 1.787 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3cc(F)cc(C#N)c3)cc2S1(=O)=O 1132445492 HGBFWAAZCBCTME-UHFFFAOYSA-N 403.391 1.741 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)ccc1F 1141657170 CLDSQGNSACGZHW-UHFFFAOYSA-N 405.451 1.894 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 1149470206 DHRNVMIKXBIDTD-KRWDZBQOSA-N 414.412 1.369 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cccn(CC(F)(F)F)c2=O)C1 1153867255 ZVJRATPZTAFNTJ-WCQYABFASA-N 414.384 1.899 30 10 HDEE C[C@@H](CC(=O)NC1(CC(N)=O)CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1158830226 MSMIDMRBHILBMI-ZDUSSCGKSA-N 406.508 1.198 30 10 HDEE C#C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1159762576 PGGQSJFFVKMMSI-CQSZACIVSA-N 423.288 1.974 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1164659127 OQQITGFPNFKDRD-HNNXBMFYSA-N 418.427 1.867 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CC2)cn1 1177114284 RNCNMIASNGVEFC-UHFFFAOYSA-N 420.404 1.103 30 10 HDEE COc1nscc1CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1179121940 FBMLMDMNTAFRNT-OAHLLOKOSA-N 413.459 1.887 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)CNC(=O)O4)C2)C1 1179542221 RLVIZELUEYPQNN-RDYUPDBUSA-N 418.494 1.874 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)C[C@@H](C)O1 1184821410 RFOJHDQSWWWXIR-TXEJJXNPSA-N 415.497 1.004 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2C(=O)c3cccc(Cl)c3S2(=O)=O)cc1 1189311352 HJCNECIOEFTNJT-CYBMUJFWSA-N 406.847 1.990 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCC(C)(C)c3ccccc32)CC1 1224247635 UTDRSFIKDVXWRF-QGZVFWFLSA-N 418.563 1.636 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1251170089 WKVOUVXCWNIDBX-SBTCKYBLSA-N 408.495 1.882 30 10 HDEE COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1252115733 MHSIQVVVIAISOM-GUXCAODWSA-N 418.519 1.101 30 10 HDEE C#CCCCn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1286341092 BNMDQXQEMCHKHH-BZUAXINKSA-N 423.539 1.126 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1ncn(C)n1 1286415483 CPJXZCQFMDUTKP-UHFFFAOYSA-N 407.503 1.829 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1286449041 IKXDWCZXZBJPPG-UHFFFAOYSA-N 407.565 1.918 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CC1 1286474246 AXSXNXMVFGHFFZ-UHFFFAOYSA-N 417.517 1.618 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1286493609 ODQGPJYKSDJTBY-RBUKOAKNSA-N 414.554 1.088 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1286535383 HZBUSBRQURFSSN-WOPDTQHZSA-N 420.333 1.165 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1286773404 NJVRSBYQODNBRN-GOSISDBHSA-N 424.505 1.202 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C)CC1 1286787300 QZEFGQQTRFKVMA-UHFFFAOYSA-N 420.521 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccco2)C1 1286820386 KRWYQRCVKNEZNK-WBVHZDCISA-N 422.507 1.554 30 10 HDEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286834635 HJYMVLCLOJNCHJ-QMTMVMCOSA-N 424.523 1.964 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)NCc3ccc(SC)c(C#N)c3)CC2=O)cn1 1288807745 AYBSAXKHIIGHSD-MRXNPFEDSA-N 413.503 1.792 30 10 HDEE CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)CC1 1289437073 UFJAUWUAWJVSMZ-GHTZIAJQSA-N 416.547 1.227 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OC)c2ccccc2C(F)(F)F)CC1 1292890436 YXWSIFZMBNQARE-SFHVURJKSA-N 411.424 1.677 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3csc(C#N)c3)ncnc1-2 1293079096 KBVJUEQBLCDVKX-UHFFFAOYSA-N 406.269 1.274 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cn2cnc3sc(-c4ccccc4)cc3c2=O)CC1 1294720681 CNQKKMPGQMWPCU-UHFFFAOYSA-N 421.482 1.709 30 10 HDEE COC(=O)C[C@@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOC1 1296151800 BIBYQKHJEUHEMV-SFHVURJKSA-N 422.279 1.595 30 10 HDEE N#C[C@@H](CO)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1297880686 RUAFDWJZDDKLOY-QMMMGPOBSA-N 404.146 1.663 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(N)=O)CC1 1300409809 JZRKCDHUIHXASV-UHFFFAOYSA-N 422.537 1.567 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1300409940 LGHXZNIBAZZESG-MSOLQXFVSA-N 400.527 1.778 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1301286829 LSDVLBNLKHFBHK-AWEZNQCLSA-N 406.512 1.276 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@H]2C)C1 1301555700 CYLGNXCBROQRFR-XMTFNYHQSA-N 424.567 1.634 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1301595310 SAERYKFQLBLIQH-OAHLLOKOSA-N 404.544 1.769 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1302361792 HDZWKASOBPQJTO-OAQYLSRUSA-N 408.483 1.691 30 10 HDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCS1(=O)=O 1302507648 YREDBZFVAYEVHH-MLBPIDQTSA-N 411.524 1.419 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C3)[C@@H]2C1 1302896450 YRJSAWLMQLSWAO-XHSDSOJGSA-N 415.450 1.541 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1C[C@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1304201204 WWQLFDWECHCHEU-OWCLPIDISA-N 421.519 1.300 30 10 HDEE CC[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1305802548 DSMSJMLGGDDGIG-OAHLLOKOSA-N 413.482 1.376 30 10 HDEE COc1ncc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 1311195963 BGTCLWICMAKGEZ-GOSISDBHSA-N 409.446 1.553 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1312968532 VFSPWHKUBXKEEO-UHFFFAOYSA-N 420.466 1.703 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1313096904 HHYPPZNWKBIAEM-LSDHHAIUSA-N 409.483 1.076 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(C(F)(F)F)nc1 1313242723 OVCCGYSWJKEMGG-VIFPVBQESA-N 408.340 1.562 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1314109935 BSTOJNLYRDTUKX-ZLGUVYLKSA-N 419.526 1.600 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1315272794 RYUQKAIPEWLHFV-VQIMIIECSA-N 414.422 1.388 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 1343059750 ORVVHXQIUOWGEH-JKSUJKDBSA-N 402.447 1.825 30 10 HDEE C[C@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1349042074 MCICDPAEQVFTNA-SNVBAGLBSA-N 406.327 1.893 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1-n1cccn1 1358954800 XAHSEPQMLWIWHV-ROUUACIJSA-N 407.478 1.701 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1358956521 HDGYVVAQDDHEJX-OAHLLOKOSA-N 408.911 1.946 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1358962535 RMRHOJUEDYRPEY-QGZVFWFLSA-N 402.524 1.344 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1358994824 XGHQPKONDPHNRS-RTBURBONSA-N 417.579 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCNC(=O)OC(C)(C)C 1359022738 LFBTYHIVPJVOKP-UHFFFAOYSA-N 415.498 1.736 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(O)CCCC2)CC1 1359030446 WFWLWFARMCOTTK-QFIPXVFZSA-N 417.554 1.379 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C)N(C)C2CC2)CC1 1359045279 BPJJIKYYBRVOGR-KRWDZBQOSA-N 400.571 1.925 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359126337 MRFMRYUVDFJPDM-ZWKOTPCHSA-N 420.558 1.166 30 10 HDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359228732 MSXQAELHDGYBOC-MRXNPFEDSA-N 405.524 1.474 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1359249827 QTRCDQRJHLYECD-OAHLLOKOSA-N 403.512 1.314 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1359272478 TUOGMKFVFQXAIZ-UHFFFAOYSA-N 410.526 1.719 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359297361 NWUOGPAZQSLVNH-VGOFRKELSA-N 411.506 1.940 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)n1 1361015942 RFRHUXRBDTYFIN-UHFFFAOYSA-N 416.850 1.902 30 10 HDEE COCCOC1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1436302662 XNQTWUQVIIXGEW-QGZVFWFLSA-N 401.463 1.240 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1446977749 AWFLZAJMUPHRFG-INIZCTEOSA-N 422.356 1.448 30 10 HDEE Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1448853519 BRESIEANJQZJOJ-UHFFFAOYSA-N 400.345 1.528 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)c1 1450969353 DGDSIEXOXXFEPI-INIZCTEOSA-N 410.517 1.342 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)CC[C@@H]1C(=O)OC 1453545096 SRXKKQJVYYQMSP-SOUVJXGZSA-N 410.467 1.246 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1 1464924586 LJDSSYJAAXLHDD-PEZBUJJGSA-N 423.351 1.560 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CNc3ccc(C#N)cn3)C2=O)c1 1465714325 AWDTVKALOORZKB-SFHVURJKSA-N 409.446 1.646 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccccc2C(F)(F)F)CC1 1469066618 OGPSFIADKFHUNL-CYBMUJFWSA-N 418.441 1.561 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1CC(c1cnn(C)c1)C2)c1cc[nH]n1 1471504434 CERCZHITFNKEKE-HOTGVXAUSA-N 414.466 1.364 30 10 HDEE CCOCc1nnc(N2CC[C@@H](N3CCN(CC)CC3)C2)n1Cc1ccc(C#N)o1 1503062295 VCJONLINCNBDKS-QGZVFWFLSA-N 413.526 1.544 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1505323300 FGZYJCKMPXAGEK-CABCVRRESA-N 407.521 1.094 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1507690634 UPRIZPPTCIHBLP-PXNSSMCTSA-N 405.568 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(OC)CCOC1 1507713601 QAJXCGWPLGNYST-JOCHJYFZSA-N 424.505 1.408 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSc2ccccc2)CC1 1507728354 YADIGCOTMBIVSY-UHFFFAOYSA-N 424.574 1.948 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1507747136 BARKQLSTEMGZAU-UHFFFAOYSA-N 411.940 1.595 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508076806 HWCKXMXWKXTGBS-ZDUSSCGKSA-N 402.455 1.426 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)C1 1508112759 CCPNVRVRUAVMRP-OLZOCXBDSA-N 407.487 1.715 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@]1(C)CCCS1 1510148008 FKWWUXJZDIWSBR-HEHGZKQESA-N 400.574 1.912 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1510752274 KNJXGTPCIFDBKW-IAGOWNOFSA-N 410.478 1.481 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1518968299 UJMYSZPIVKPXAV-BFUOFWGJSA-N 404.471 1.389 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1525838342 PQNFTTGNQFOWCP-QLFBSQMISA-N 421.519 1.199 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N3Cc4ccc(C#N)cc4C3)cc2S1(=O)=O 1526774616 XELHSWCDEIFVBU-UHFFFAOYSA-N 411.439 1.505 30 10 HDEE COCCN(CC1CCN(C)CC1)C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1534651278 KAQBAXGKSMBMSN-UHFFFAOYSA-N 403.527 1.888 30 10 HDEE CSc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1-c1ccc(F)cc1 1538308782 UGJHFVZMJTXWQJ-SGTLLEGYSA-N 420.491 1.744 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539140677 AUUJTMCFVMBBLU-DLBZAZTESA-N 407.540 1.547 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1539190858 USWGQQKBXFKKJY-UHFFFAOYSA-N 402.499 1.337 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539231356 RNSGNJYKWGVUSU-ZWKOTPCHSA-N 415.519 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC1(O)CC1 1539263221 BJDVQFNSMQRNTA-KRWDZBQOSA-N 413.522 1.990 30 10 HDEE C=CCc1ccc(OCC(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)c(OC)c1 1539376424 OJNSCVGRCXKLLS-HOTGVXAUSA-N 405.447 1.756 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2cc(C)on2)CC1 1539526800 PUOWVFGSBKMQLT-UHFFFAOYSA-N 404.540 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1539643787 NJYWEYWMLGONKH-QSFXBCCZSA-N 402.474 1.824 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1539751755 TXXRGXKWZZSIDE-QGZVFWFLSA-N 407.515 1.583 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn(C3COC3)nn2)CC1 1539832376 TXHPNGQMBCPZKA-HNNXBMFYSA-N 403.487 1.370 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539966182 GAUJLOHHXHMJQZ-GOSISDBHSA-N 404.559 1.785 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1540855061 WWGCWWCQMCLQTO-CABCVRRESA-N 404.448 1.649 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540860321 BPMUAECWQHBJNN-AWEZNQCLSA-N 409.487 1.652 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540868009 OWNCGFULRZWCJA-HZPDHXFCSA-N 415.494 1.496 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1543462561 NGHNLSPLHLRAGH-OAHLLOKOSA-N 413.927 1.680 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1544780311 SLIHYLOEQWAIFS-QGZVFWFLSA-N 400.479 1.539 30 10 HDEE CCc1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1546453948 ANMMEPOORVCEQY-UHFFFAOYSA-N 407.522 1.929 30 10 HDEE N#Cc1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)c[nH]1 1557852922 YHNYMPLXIVSRJS-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCC[C@@H]1C#N 1560060522 PLTJRSGOTYEHBU-SJLPKXTDSA-N 404.536 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)[C@H](C#N)C1 1564531670 WRCAOYXREIZZAB-ZFRZLUBXSA-N 400.426 1.859 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)NCCn2cnc(C#N)n2)Cc2ccccc21 1564723628 CVRGRBSRCRKJSB-OAHLLOKOSA-N 411.466 1.815 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 1566410316 XIWOTFRBWMGYBO-MRXNPFEDSA-N 415.457 1.762 30 10 HDEE C=CCC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC 1569184550 QWGRYFLSGGCNCY-ZDUSSCGKSA-N 422.425 1.998 30 10 HDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CC(=O)NC1=O 1583782465 BRWTUZVWPQWCML-BLLDWGMFSA-N 404.467 1.037 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)n1 1584418510 HCVLNKZEODFVFO-CHWSQXEVSA-N 408.553 1.584 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(Cc4ccccc4F)n3)C[C@H]1CS(=O)(=O)C2 1585660101 FEMXDISEBOXIKE-SCLBCKFNSA-N 405.476 1.883 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CC(=O)c2ccccc2O1 1587485688 IFBMVFWHVHYNMP-CYBMUJFWSA-N 413.455 1.265 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1587909979 YXNPJAKDHNQIAG-HNNXBMFYSA-N 413.457 1.801 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1587915575 ODTRQECHJALMFZ-IFXJQAMLSA-N 422.482 1.176 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588049977 OPWQFRJMLNODSE-QGZVFWFLSA-N 419.551 1.231 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccn(C4CC4)c3=O)CC2)cc1 1588157707 GILOJFOGNYBMPZ-UHFFFAOYSA-N 412.471 1.202 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2cc(C)nn2C)CC1 1588780692 VPYOIFDCFKWZJB-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCCOC)C1 1589528465 GMKOPBRGYIAZAZ-UHOSZYNNSA-N 416.526 1.902 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1593769500 OKZNQVDZXZUSDV-UHFFFAOYSA-N 406.531 1.745 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1594825396 ZBCZLVDUBDBNAA-SFHVURJKSA-N 415.542 1.789 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(N2CCCNC2=O)CC1 1595476931 OVMRFQGDFRFFBX-OAHLLOKOSA-N 403.531 1.478 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1595537656 VKEVSUIWTAAOLE-UHFFFAOYSA-N 417.583 1.851 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC2(CCC2)C1 1595562449 ZKHKCQZPPIEVGA-UHFFFAOYSA-N 402.524 1.695 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(Cc3csc(C)n3)CC2)nnc1C(C)(C)C 1595602230 HGORDRMHELBGLT-UHFFFAOYSA-N 417.583 1.965 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@H](C)Oc1ccc(C#N)cc1 1596490883 QKERJRGKUJMGKE-ZDUSSCGKSA-N 411.414 1.876 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 1597812791 JNAIQOWTSXNQBU-KRWDZBQOSA-N 423.560 1.876 30 10 HDEE CC(C)(C)OC(=O)N(CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)CC1CC1 1607497544 HYRVLGLWQGWOFR-UHFFFAOYSA-N 417.466 1.241 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(C)(=O)=O)cc1 1619234078 GXIHWICUAOQBKB-IBGZPJMESA-N 421.498 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)C1 1620666838 DBWXUPWTMQZBQO-LJQANCHMSA-N 416.522 1.535 30 10 HDEE C=C(CN(C)C)C(=O)NC[C@H](O)COc1ccc(I)cc1 1622536531 OJOUITUCMRIJJC-ZDUSSCGKSA-N 404.248 1.265 30 10 HDEE CCc1nccn1[C@@H](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624067487 SXLGDPVYIUHJKP-INIZCTEOSA-N 415.519 1.801 30 10 HDEE CCO[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1 1624144551 UVTJFBDCXWJPRE-PBHICJAKSA-N 400.435 1.896 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1c1cccnc1 1624819907 SAYIBJWSTVVPFX-MUQADHOPSA-N 413.478 1.476 30 10 HDEE C[C@@H](CN1CCCC1=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1626283053 NZEBLWVYCMTMFR-ANZKDXPISA-N 404.511 1.900 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)NCc2ccco2)s1 1627074162 WRXLKRBNSVTZQE-UHFFFAOYSA-N 411.505 1.123 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@@H](C#N)CO)c2C(F)F)CC1 1627548212 AKJUAHDMYDFWKC-JTQLQIEISA-N 414.413 1.402 30 10 HDEE CC#CC[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1628511370 WIVWZJUJPXUZKT-RDTXWAMCSA-N 422.279 1.107 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](n3ccnn3)CC2)s1 1630655803 AZPNQCWCFZOPQH-CQSZACIVSA-N 409.537 1.600 30 10 HDEE CCOC(=O)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1636377428 DMGCXFNGCPNRCB-KRWDZBQOSA-N 419.503 1.371 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CN(C)C)c1ccc(F)cc1)c1cc[nH]n1 1637077867 HCWZQPYIBYIFBL-INIZCTEOSA-N 405.430 1.252 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)cc1S(=O)(=O)NCC#N 1639629694 AZAOCTRYMXDLFP-QZTJIDSGSA-N 420.535 1.026 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1Br 1639861624 HSBFSDITJSQBIS-UHFFFAOYSA-N 405.256 1.162 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1=O 1640769056 OUHZHADDPBONCI-IXDOHACOSA-N 405.495 1.548 30 10 HDEE Cn1ncnc1C1(O)CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1643916811 COTSXPYKFABPMG-UHFFFAOYSA-N 417.473 1.818 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@]3(C)CN(C(=O)OC(C)(C)C)C[C@@]3(C)C2)CC1 1644026557 BUQPRIRKTQFESC-SZPZYZBQSA-N 404.555 1.343 30 10 HDEE COC(=O)[C@]1(N2CCN(Cc3ccc(C#N)cc3Br)CC2)CCOC1 1647810591 WUYYAEPRTNXQNK-SFHVURJKSA-N 408.296 1.770 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CC1 1648382956 WIBYFOCEVKSCLL-MRXNPFEDSA-N 415.494 1.528 30 10 HDEE Cn1cc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nn1 1648646528 XVVSBBAZOIQEIK-HNNXBMFYSA-N 402.480 1.027 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCN(CC(F)(F)F)C2)c1 1654605361 DNZGFQNNSCUDGH-CQSZACIVSA-N 418.441 1.227 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 1654643810 OJXVNVJKJSCISO-QGZVFWFLSA-N 416.459 1.042 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1654805847 FTDWIAVVZUXFNM-GUDVDZBRSA-N 419.570 1.620 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCOC3(CCS(=O)(=O)CC3)C2)CC1 1655895126 UPPASPJNGCZDGZ-TVRKMHQQSA-N 411.568 1.585 30 10 HDEE COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1656502759 BYMGUGNPYKITAV-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 1656884116 RCIWKWVCDNELAQ-LLVKDONJSA-N 402.270 1.733 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1659390642 CUECDXDVWQAECG-WJFTUGDTSA-N 420.579 1.613 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(F)cc(C(=O)OC)c2F)c1 1659626692 GKPNFAFVKFOQLX-UHFFFAOYSA-N 422.409 1.992 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1663720129 HQARQXMFAWPXPC-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1667586742 ZWNPKDYFKBVVCK-UHFFFAOYSA-N 400.422 1.945 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCc2nnc(S)n2C)cc1 1667955777 DPNKYCIJPCCOEN-UHFFFAOYSA-N 424.552 1.665 30 10 HDEE C#CCN(C(=O)Nc1nc2cc(Br)ccn2n1)[C@@H]1CCS(=O)(=O)C1 1670117632 AKAYOMSSJHTVDD-LLVKDONJSA-N 412.269 1.146 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)nn1 1683315562 VOUHMMGZNGPQCM-UHFFFAOYSA-N 402.524 1.806 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)N3CCN(CCC#N)CC3)C2=O)c1 1685336133 DTWGPBHSOJMFND-SFHVURJKSA-N 401.467 1.050 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543405 KNZVTODDFHQFTM-HUUCEWRRSA-N 405.499 1.900 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3ccc(C(C)C)cc32)CC1 1686001768 LAYFKWITGVDFFZ-FQEVSTJZSA-N 418.563 1.982 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1689928479 PBGZVAAQETXCSE-INIZCTEOSA-N 424.509 1.076 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1690047707 XJEDZRVNSVJWDQ-ROUUACIJSA-N 404.536 1.460 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCCS(C)(=O)=O 1690361508 WTMRMFWLMKDRCG-KBPBESRZSA-N 406.936 1.626 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)S(=O)(=O)CC)CC1 1690372171 CWDFPOKPYDJUIU-UHFFFAOYSA-N 407.544 1.507 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1690372378 LBZQHYJFUSAPRE-RBUKOAKNSA-N 415.586 1.659 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1690449862 SOVYOEDKTDANJO-MRXNPFEDSA-N 404.515 1.271 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1690465001 PACYUYXFNDBURE-OAHLLOKOSA-N 417.526 1.924 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 1690680931 ADHITZJJBIZJQL-UHFFFAOYSA-N 410.478 1.063 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1692695361 BMWVREUNYHACGJ-JKSUJKDBSA-N 411.510 1.238 30 10 HDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOCCCO)o1 1693063524 OMZBDVFMWLVODW-UHFFFAOYSA-N 424.461 1.781 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1695496092 BXQYDGTYVQCCAL-KRWDZBQOSA-N 407.478 1.106 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1705476875 GOUFHMWAKFDJQF-KBPBESRZSA-N 421.523 1.412 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705513515 OXLHBYHBZYNRBM-UHFFFAOYSA-N 404.540 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1705596582 INFFKILVYQJJEC-QGZVFWFLSA-N 414.579 1.520 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOC[C@@H]2C)CC1 1705635485 ZVABNSCXKYDCHN-GBESFXJTSA-N 405.543 1.430 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705695213 WCKFKPWREJWDBS-ZACQAIPSSA-N 416.526 1.197 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2n[nH]c(C)n2)C1 1705928474 FLLHJKVQHBVWFJ-KRWDZBQOSA-N 411.514 1.590 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705940229 YRHYFRJXYCBEDY-MCIONIFRSA-N 403.574 1.015 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1706751746 TWJSYVMEOMNEOF-DJJJIMSYSA-N 415.523 1.486 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1706956076 QLBSJQLSOUTAIL-UZLBHIALSA-N 406.506 1.725 30 10 HDEE CC12CCC(CC1)N2c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1706965852 XODFYVRFPOXYGI-UHFFFAOYSA-N 400.508 1.887 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1710689190 VVHDLKSLZAAOAV-BEFAXECRSA-N 402.478 1.659 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1722364780 AIVQYRWUPUJXLN-SFHVURJKSA-N 416.551 1.768 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722625956 DRAJEHVEYCAODX-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722629537 LMJZIOKTLBNPRK-UHFFFAOYSA-N 401.515 1.656 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722726715 BCXFUWRZEUNCRH-HNNXBMFYSA-N 424.527 1.347 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1729298082 WUFNXPSBBBZYQL-RBUKOAKNSA-N 424.505 1.651 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 1729350707 DOPICEBVCNHSQR-WBVHZDCISA-N 401.492 1.477 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1730497257 FSHCQMACDQCMHW-CABCVRRESA-N 402.430 1.025 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@]2(O)CCN(C)C2)c1 1740562200 MCUMCZFLOLGJSB-QHCPKHFHSA-N 424.549 1.698 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(=O)(=O)CC 1740607576 WJZNBMDVPJZZAF-UHFFFAOYSA-N 400.508 1.825 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1740608604 BYASJCILLURFAC-MBOZVWFJSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740617948 ZFGIGTWZTRWPOW-ROUUACIJSA-N 421.567 1.287 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1740622759 IGQWERKDYKWKSK-KRWDZBQOSA-N 402.524 1.459 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1740660776 CKZPPUQOKBYHCT-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)OC 1740676922 CECFCDPRYSSCDH-CABCVRRESA-N 423.514 1.702 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1740786858 QQHSLDVXGYRFIW-UWJYYQICSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740957588 SZWMBYMUPLTRHC-MRXNPFEDSA-N 424.509 1.736 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)nc2)C1 1740983845 QWILBQILJGCVFU-QGZVFWFLSA-N 412.494 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCCN(C(C)C)CC1 1740989201 DWYROKYWIJOWBT-UHFFFAOYSA-N 418.567 1.861 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1746683936 HUBQIUPQLSVSEQ-RTWAWAEBSA-N 416.526 1.539 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747864353 XJWXJLKHBNSVDW-MEUCICPISA-N 414.510 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1748684996 SJHPMYYUZFATFF-LJQANCHMSA-N 412.586 1.625 30 10 HDEE COc1ccc(OC)c(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1748857570 SIGMKYBTKDZIEW-MAUKXSAKSA-N 413.478 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1748891002 ROUKBIRIDJNJTQ-UHFFFAOYSA-N 424.530 1.607 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749021817 AWRBCXHTKNNVSS-VLIAUNLRSA-N 418.567 1.973 30 10 HDEE C#CCSCCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749049097 XIFIDKHCUKOAEE-VQTJNVASSA-N 406.552 1.913 30 10 HDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1749464505 XKAJDEVWPPSYFA-AWEZNQCLSA-N 420.495 1.103 30 10 HDEE COCC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1749614593 ZHRWINLHOXWUHQ-ZWKOTPCHSA-N 408.503 1.863 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749629808 GPUVRCOXCPZMJK-HOTGVXAUSA-N 405.528 1.416 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)N(C)C 1751128360 AQOFBGDPQCIUCI-KXBFYZLASA-N 422.537 1.807 30 10 HDEE Cc1nnc(N2CCN(CC(F)(F)C(F)F)CC2)n1CC(=O)NCC(F)(F)F 1751934015 XQPGFWCISGVVLW-UHFFFAOYSA-N 420.333 1.287 30 10 HDEE C#CCN(C(=O)[C@H]1CCCOCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759986658 QVEZRYOIFKBPTR-MLYQTUFZSA-N 400.519 1.679 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1760138276 VQJSFQOTUJEXJI-DLBZAZTESA-N 411.572 1.897 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760144709 ZBMGMPYHGNPRPR-UHFFFAOYSA-N 408.506 1.792 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760170884 QNJKMLQJZVYSKA-NRFANRHFSA-N 424.530 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(N(C)C)CCC2)CC1 1760267807 BDORZUUGZLPUBP-UHFFFAOYSA-N 421.549 1.790 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1 1760340818 PIZMQBNLASFGPO-UHFFFAOYSA-N 415.542 1.824 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1)C1CC1 1760473601 AHQYHGNCMVNRHT-KRWDZBQOSA-N 402.520 1.876 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)[C@H]1CC 1760532925 JMRONPQSQAFDJJ-DLBZAZTESA-N 424.505 1.557 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NC)C1 1760536560 BZFUXUWVJUTBLM-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CCC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761210908 RHBIOJLCJVVVEW-VLGSPTGOSA-N 415.498 1.179 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCS(=O)(=O)C1 1762181769 AAIVYSHFACMUHY-KGLIPLIRSA-N 410.544 1.370 30 10 HDEE CCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1764372834 YCPZLPADKKDATR-HZPDHXFCSA-N 414.514 1.789 30 10 HDEE COC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CCO1 1769515747 HLRSKHJDANAEIK-GOSISDBHSA-N 411.466 1.504 30 10 HDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1770056743 BMAGASYFEYDRLW-IBGZPJMESA-N 418.523 1.633 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1771112734 WNLMYKQGAJHVKF-LAUBAEHRSA-N 416.526 1.897 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O 1772791124 LRNJTKGMDHAPHO-CYBMUJFWSA-N 420.377 1.830 30 10 HDEE Cc1cc(C)cc(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1848667733 RDQFQPWCYIRKDT-MRXNPFEDSA-N 404.474 1.665 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)n1 1848934839 LGOPQWBZEVTRQW-UHFFFAOYSA-N 403.442 1.981 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)s2)C1 1850066705 IEAWNVVVTLSTOK-CYBMUJFWSA-N 403.957 1.483 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c1 1850338004 WUBBGTVGDJSVRI-INIZCTEOSA-N 406.490 1.934 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851272482 SAAOYMNWZBFNFV-UHFFFAOYSA-N 408.915 1.998 30 10 HDEE C=CCN(C(=O)CCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)c1ncccn1 1851773452 ACYLTTZPIRITPJ-INIZCTEOSA-N 403.508 1.801 30 10 HDEE Cc1ccccc1N(C(=O)C1CN(S(C)(=O)=O)C1)c1nccc(N(C)C)c1C#N 1852597552 JBWRNQSZNWHWNW-UHFFFAOYSA-N 413.503 1.884 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1=O 1853850486 POMKZUKFOHCZRL-CQSZACIVSA-N 410.492 1.666 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC(Cn4nccn4)CC3)CCC2=O)cc1 1854618239 RUWIMPBKTOGDDP-LJQANCHMSA-N 406.490 1.941 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCCN([C@@H]4CCOC4)CC3)CCC2=O)c1 1855270743 HYUUYUBOZDPAAL-TZIWHRDSSA-N 410.518 1.734 30 10 HDEE C[C@@H]1CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1856088173 GUYZDOFBCATCTI-VQIMIIECSA-N 417.531 1.375 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C(C)C)on2)C1)[C@H]1CCN(C)C1=O 1857046685 UHDPKXXGLFLRDZ-RDJZCZTQSA-N 402.495 1.896 30 10 HDEE COc1cccc(-c2ccc(C(=O)O[C@H]3CON(S(=O)(=O)CC#N)C3)cc2)c1 1857084846 UAAGJHGAWUQFKF-GOSISDBHSA-N 402.428 1.988 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857373740 PTERMXHZBXMPGN-QGZVFWFLSA-N 407.467 1.353 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CCCS3)C2)C1 1857477559 NEKHZIQXUILFEF-KDOFPFPSSA-N 400.504 1.677 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1C(=O)O 1857890153 KKSQHCPIWFPTNI-UHFFFAOYSA-N 407.404 1.302 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 1862557976 OCJOWGRAZZRKME-GOSISDBHSA-N 424.413 1.891 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)n(C)n1 1870009169 JSZFODRCGVPWDI-UHFFFAOYSA-N 404.496 1.219 30 10 HDEE C=CCOc1cn(CCNC(C)=O)c(CN2CCN(Cc3ccccc3)CC2)cc1=O 1870387299 YECMSWUJRPHXCE-UHFFFAOYSA-N 424.545 1.867 30 10 HDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN1CCOCC1 1870519442 RKVONLFTLFPECN-UHFFFAOYSA-N 411.502 1.604 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)N1CCC2(CC1)OCCO2 1871335192 YVAUFXLDKRAOJB-UHFFFAOYSA-N 417.247 1.961 30 10 HDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706550 HXDAEVYTDJEAAX-UHFFFAOYSA-N 414.470 1.116 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCOC)ncnc21 1875226385 BQQWQGWQDDXZMJ-UHFFFAOYSA-N 416.482 1.590 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889207600 NEBZUMSRWKEZLZ-UHFFFAOYSA-N 404.942 1.915 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(N(C)C)ccn3)CC2)CC1 1889396761 FXERPYJIESNBOS-UHFFFAOYSA-N 413.566 1.410 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccnc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c1cncc(C#N)c1)C(F)(F)F 2174786381 JHMMPXYJTOJJQS-LLVKDONJSA-N 408.402 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCCC[C@@H]2C=O)S(=O)(=O)C(C)(C)C1 2197733486 BAGOJLYQSOQSHP-KGLIPLIRSA-N 402.513 1.379 30 10 HDEE C=CCN(CCC(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2)C(=O)OC(C)(C)C 2239520244 IGZNFUJWAOUCPY-CQSZACIVSA-N 401.529 1.612 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@@H](CO)C1 2247670991 MMHBHTGBKRFMMD-OAHLLOKOSA-N 419.331 1.799 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247812178 DORRDOIVEBMWCG-UHFFFAOYSA-N 418.303 1.544 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCS(=O)(=O)CC3)sc2Cl)OC1(C)C 2267128065 VSQHRMVIWLKGGA-UHFFFAOYSA-N 405.734 1.571 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356639 NHJMHVUPCGIOCF-SNVBAGLBSA-N 407.750 1.916 30 10 HDEE Cc1cc(NS(=O)(=O)C2CC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2277954475 FKSWFGOFNSPZNE-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)C[C@H]3CO)c2Cl)OC1(C)C 2281936269 LCAHAKPZZVFOEM-QWRGUYRKSA-N 401.721 1.659 30 10 HDEE Cc1cc(S(=O)(=O)NCc2csc(=N)[nH]2)sc1B1OC(C)(C)C(C)(C)O1 2282304628 NAXCKOZXDUSLRH-UHFFFAOYSA-N 415.371 1.703 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1COCC1(F)F 2282313290 JIJPCAXXXUYHBK-NSHDSACASA-N 409.285 1.668 30 10 HDEE CNC(=O)C(C)(C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282336338 BOASJUDTRSLQDW-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CN(C)C[C@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282346054 LCPUAMQAPQISKI-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CCN(C)[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282421920 VBCMSXPBVZOCIQ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CNC[C@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491642 LZZQXUXHLIASOI-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE COC[C@H](CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282492832 SYVYQWYENLYXMN-LBPRGKRZSA-N 405.347 1.329 30 10 HDEE C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282496299 YPFKHAWLNXXPNU-RYUDHWBXSA-N 401.721 1.783 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1O 2282497938 WXFTWVYQLUBZEO-STQMWFEESA-N 401.359 1.626 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](N)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282500971 QMSVHTDJLCACAT-GXFFZTMASA-N 400.375 1.774 30 10 HDEE CN1CCC(C)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282503340 YPHDJEQIWHOCDT-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282506374 RGRWCIYLBVODLQ-GXTWGEPZSA-N 401.359 1.437 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](O)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282842467 YTJQCVUOMXTKQX-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE CC(C)(O)C1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852605 RHFWQXSODRPXSK-UHFFFAOYSA-N 401.359 1.875 30 10 HDEE CN1CC[C@](C)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856177 OOBHPZVGITUIOJ-QGZVFWFLSA-N 400.375 1.667 30 10 HDEE CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282856684 WPAVUVGOXZYEHL-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE COC[C@]1(F)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282857820 NHVKGZZBBGFPFI-INIZCTEOSA-N 405.322 1.796 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284407210 IQBUDWIRDZYVRX-NSHDSACASA-N 421.371 1.532 30 10 HDEE Cc1ccc(O)c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329014360 LIJVITGNLKLLHP-AWEZNQCLSA-N 416.507 1.476 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]3[C@@H]4N)cc2Cl)OC1(C)C 2334266883 GWBRDBPXEZNZJO-PTOFAABTSA-N 404.750 1.421 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@@H](O)c2nn(C)cc2I)n1 2363923839 IGOVPSMKIPBWDZ-ZWNOBZJWSA-N 402.261 1.456 30 10 HDEE CNc1nc[nH]c(=NCc2c(Br)c(Br)nn2C)c1C#N 2364341950 WRIPZGFAESMNFN-UHFFFAOYSA-N 401.066 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365170426 PJYVHTLCKVTTCK-INIZCTEOSA-N 401.525 1.780 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(COC)CCCN1C(=O)OC(C)(C)C 2365204860 PCMRULXWNYALNJ-HNAYVOBHSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@H]([C@@H](N)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367791907 ZZMJUVGNXGCROB-UDRCLVEDSA-N 404.479 1.833 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367800093 GPSVMHGYTVGELZ-QAPCUYQASA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(N(C)C(=O)OC(C)(C)C)CC(OC)C1 2367800606 LATQYBHAANVBMX-XAUUPUKJSA-N 400.541 1.570 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 46550235 AQYODIBFPCJCLZ-UHFFFAOYSA-N 410.522 1.347 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)COc2nn(C)c3nc(C)cc(C)c23)c1 110612395 NCZZUPLQCYGKTP-UHFFFAOYSA-N 405.458 1.724 30 10 HDEE CC[C@H](CO)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443327757 CVBNWDYBEAFKOF-CQSZACIVSA-N 402.314 1.398 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 461301234 ZZKLVFJJHZLQSJ-UHFFFAOYSA-N 417.535 1.899 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 469098088 SLZRZISYRJSNKO-UHFFFAOYSA-N 405.505 1.450 30 10 HDEE COCCN1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1=O 470724662 VGMRJQMUYKGFSU-UHFFFAOYSA-N 400.479 1.421 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@H]3c3ccc4c(c3)OCCO4)CC2)c1C#N 471682544 JOHRQJFLDQXFFP-IRXDYDNUSA-N 407.474 1.824 30 10 HDEE CC[C@H](c1nnc(Sc2cnc(C#N)cn2)n1CCN1CCOCC1)N(C)C 475442916 JCASEMWGUYPVAX-OAHLLOKOSA-N 402.528 1.436 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477605639 VYHHLKWAZLCVPJ-UHFFFAOYSA-N 417.475 1.298 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)CN(C)C 480594198 UXZFXWUHPLPUBD-QFBILLFUSA-N 414.531 1.514 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)CC1 484579982 CDWFHEAGSBHNDV-UHFFFAOYSA-N 405.499 1.277 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485997550 BJWSNYYAZXPXDK-PMACEKPBSA-N 419.485 1.625 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(CCn4cncn4)CC3)cc2)nc1 487610477 YZUNUOSBGARVJS-UHFFFAOYSA-N 403.446 1.795 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)c1 490071824 LWJPZXZNRGVMNP-MRXNPFEDSA-N 414.549 1.580 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 506473031 GXMNSKXDRFIBKQ-NRFANRHFSA-N 406.527 1.309 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)Nc3cnn(-c4ncccn4)c3)C2=O)cc1 506595333 JHJMXPIJPQVKAQ-KRWDZBQOSA-N 402.418 1.851 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508896836 UPYSMBICGWGYME-LJQANCHMSA-N 411.506 1.913 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508959308 DZQYTDIPIXPNNI-UHFFFAOYSA-N 422.449 1.460 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCN2C(=O)CCC2=O)cc1 523673454 FGECELYNUXEOHI-HNNXBMFYSA-N 400.460 1.327 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1cnn(CC(=O)NC2CC2)c1 545123409 GDJVAGZMCLOTGL-OAHLLOKOSA-N 410.478 1.918 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1-n1cnnn1 546923881 OXAWGEZFFHIIOA-UHFFFAOYSA-N 405.422 1.292 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)n1 553968085 HJRYPRCYSXYGRL-KRWDZBQOSA-N 413.869 1.961 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 558676293 QGUFPQQCPGBHSS-MRXNPFEDSA-N 413.544 1.191 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 565680411 SOLOEPOWVGEBAV-UHFFFAOYSA-N 422.397 1.738 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N(C)CCc3ccccn3)cc2C1=O 589399785 FQUCWRNCVWJTAN-UHFFFAOYSA-N 406.442 1.295 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)c(F)c1 609231637 HHHKJVNZMFEIOP-UHFFFAOYSA-N 408.480 1.693 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730141213 ZZWCPVXXROCIIF-MRXNPFEDSA-N 410.515 1.780 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc([N+](=O)[O-])c1C 734844074 TUVHQCCUSBTDIT-AWEZNQCLSA-N 422.463 1.441 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)OCC#Cc1ccccc1Cl 747069903 HNMJZMPPUCUEJZ-ZDUSSCGKSA-N 409.895 1.952 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cn4cccc(F)c4n3)cc2)CC1 755699450 ZFWUBVZWGIFJEH-UHFFFAOYSA-N 416.482 1.856 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 758385683 VXKVODSAWOQVAV-XHSDSOJGSA-N 415.498 1.504 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763459561 AZFMMGIRUDYFAT-UHFFFAOYSA-N 417.494 1.138 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnc(CO)c1 765286537 HQDOLLVLMQXVJF-UHFFFAOYSA-N 402.476 1.812 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)OC(C)(C)C 765416928 OSPFEBSWJZZREJ-CYBMUJFWSA-N 410.496 1.256 30 10 HDEE CC#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 767664496 KJICXDNSLHUJTL-ATVHPVEESA-N 418.515 1.868 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2nsc(N(C)C)n2)ccc1F 771335200 SDJSJHFNAUVPOV-UHFFFAOYSA-N 400.457 1.565 30 10 HDEE COc1cccc(C#CCOC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 771616542 YLCFQASVQHHPAO-UHFFFAOYSA-N 418.427 1.867 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261688 CKKCCFCEZMYCET-QGTPRVQTSA-N 411.474 1.542 30 10 HDEE C#CCN(C(=O)NC[C@H](C)Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774261910 DFVLLHCSVIQPHM-WBVHZDCISA-N 408.520 1.714 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 775988363 MZRGKCHWKVMJDU-PKVYGZRPSA-N 421.523 1.617 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cccc(-c2nnc(CCOC)o2)c1 778927903 VXHXUHQMXRVMMR-LBPRGKRZSA-N 402.407 1.483 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2ccc(F)c(C)c2)C1)c1cc[nH]n1 789994355 DYOPIGDKFHSGEL-KRWDZBQOSA-N 418.425 1.741 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)n1 790104888 YDYSICYLNYLWOA-SFHVURJKSA-N 403.527 1.569 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790652223 XRFMECUGDYBQSY-RDTXWAMCSA-N 401.529 1.482 30 10 HDEE CC(=O)Nc1ccc(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C(F)(F)F)c1 798742325 LITGPUGDDAXNIV-SECBINFHSA-N 424.339 1.870 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1ccccc1C(=O)NC1CCCC1)n1cnc(C#N)n1 798745771 VKAUVKKTHUTRQJ-ZDUSSCGKSA-N 410.434 1.565 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803923755 YOFHGTNBLNLFSD-GUYCJALGSA-N 422.478 1.696 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 810646657 SKHYBTATJAEEEO-OKZBNKHCSA-N 424.563 1.919 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)c3ccc(C#N)nc3)C2)ccn1 856540494 WMVMBLDNWXALDH-GOSISDBHSA-N 401.492 1.642 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C(=O)OC)sc3nc(C)ccc23)C1=O 1129115401 FROIHVDIOSNOHB-UHFFFAOYSA-N 416.415 1.307 30 10 HDEE N#Cc1cccc(OCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1132815936 XQTYJWRFQQPQMK-QHCPKHFHSA-N 405.454 1.967 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1133157443 MJHXSTRUUCHJTR-GXTWGEPZSA-N 400.522 1.602 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc4c(c3)S(=O)(=O)CC(=O)N4)CC2=O)cc1 1133340622 MYSNULGBOXZBCV-CYBMUJFWSA-N 424.438 1.276 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1CCN(S(C)(=O)=O)CC1 1136150406 RKXYBTISRXGHLP-OAHLLOKOSA-N 416.544 1.504 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12 1136672723 WXGIAFIZVHQGCW-XDJHFCHBSA-N 416.388 1.801 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3C[C@@H]4CC[C@H](C3)O4)C2)C1 1140911783 RIZQOPKYUAPCLX-JALFLYODSA-N 418.538 1.753 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)CC2(C#N)CCOCC2)C1 1142597957 ZQEIXJWAXQEBIR-MRXNPFEDSA-N 422.526 1.576 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C#N)C1 1143955788 LRCPOORJILBBJU-ROUUACIJSA-N 402.495 1.763 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(OC)c3)CCCC2)CC1 1152968087 YIDYAEIGSKMLPW-UHFFFAOYSA-N 405.520 1.119 30 10 HDEE CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1156046196 ULVOLZVBKBOCOO-ZFWWWQNUSA-N 409.508 1.709 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CC(OC)(OC)C1 1159958363 ANKFSTVNBMVWLF-MRXNPFEDSA-N 423.535 1.799 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccccc3)c2)C1 1161883666 HLLXWVQPSGZHJQ-UHFFFAOYSA-N 404.875 1.639 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)c1ccc(Br)o1)C(=O)OCC 1171431682 ZPSPALOANCRMMN-SECBINFHSA-N 407.648 1.962 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)C1 1215662328 XZPRSTRXVHVEOM-CVEARBPZSA-N 405.524 1.339 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(F)cc(C#N)c3)CC2)cn1C 1219799179 HYSJXJFYSFIMKP-UHFFFAOYSA-N 406.443 1.278 30 10 HDEE CC#CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1226585260 UAEAMBCRJMLVGF-CQSZACIVSA-N 411.243 1.887 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799352 OPUVMTDZOGTFOX-IBGZPJMESA-N 405.520 1.293 30 10 HDEE C=CCOCCCNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1253133567 IQBDVFXKCDZENS-UHFFFAOYSA-N 414.304 1.672 30 10 HDEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(Cc2cccc(OCC#N)c2)C1=O 1257786221 ZKFXYBQWNTWIGI-FQEVSTJZSA-N 413.455 1.960 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1286291536 XVAQWCHXBOALNA-KJEZJMDVSA-N 424.530 1.561 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1286358473 HFERFMGCYWUADV-UHFFFAOYSA-N 420.477 1.370 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286388986 DJILIHPATDECGJ-ZWKOTPCHSA-N 407.584 1.759 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1286449869 JJCIWVXTUDERQM-SFHVURJKSA-N 413.526 1.094 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnnn1C 1286459512 NSCBGTJTNXIKTA-UHFFFAOYSA-N 419.287 1.299 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1286469953 PKIBBZJDGDEJND-UHFFFAOYSA-N 415.563 1.783 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1286471940 BRQPWUHRJQIXKS-OPYAIIAOSA-N 405.518 1.824 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)CC1 1286481986 ZCFCSQOPCFVFNP-IAGOWNOFSA-N 423.608 1.079 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC(=O)N1CCOCC1 1286767084 FLYWFQDVGVLGGH-UHFFFAOYSA-N 415.494 1.451 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1OC 1286772408 CWGRRMHVGQGSKI-GVDBMIGSSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286789567 UVAJEWQYTHOOMC-SFHVURJKSA-N 423.521 1.157 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1286790091 ZNXLGNPZYJMNGY-LJQANCHMSA-N 409.538 1.631 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(C(C)=O)C2)C1 1286799172 SQQGFKNNZKPEEL-ROUUACIJSA-N 418.542 1.456 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)C1 1288976746 DFLWLLWRLWVTAF-RZQQEMMASA-N 402.499 1.555 30 10 HDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1290803104 FDOOBRZGBPFVEW-KRWDZBQOSA-N 415.519 1.941 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1296289677 WFRAITURCZMGNI-UHFFFAOYSA-N 419.489 1.716 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1299494802 HHEMEWKBIOCDDH-UHFFFAOYSA-N 412.494 1.822 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)C1 1300021054 RCTQMEAIQCWGKG-HXUWFJFHSA-N 423.517 1.992 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCS(C)(=O)=O)c1 1300331877 SOIAUEFPRCHQMX-UHFFFAOYSA-N 417.535 1.892 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300367284 BIAFSRWAFNARJP-FQEVSTJZSA-N 422.533 1.895 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300373334 WOYBWLRDLRLDSY-UHFFFAOYSA-N 416.570 1.753 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300481923 CSPYMFWFJWWJQG-DLBZAZTESA-N 418.519 1.900 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1300496138 OOORRCQZLBZPLY-MRXNPFEDSA-N 412.556 1.156 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1300502879 ZBKMOAHCTHWRKN-QGZVFWFLSA-N 415.519 1.309 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1300538080 NHFLLJPHPANRQC-GHTZIAJQSA-N 421.501 1.584 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnc(C)s1 1300649038 JYSJKPQFLUJFEQ-UHFFFAOYSA-N 411.491 1.825 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300741457 XIQNHDWZSAKTHY-MRXNPFEDSA-N 404.584 1.522 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1300996380 FTQSBRHKJXSJJG-QGZVFWFLSA-N 416.526 1.194 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1301044168 GCUXHQCAHSBUJG-TZMCWYRMSA-N 405.952 1.846 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](C)C1 1301058573 BZEILIBPUIFXBF-IKGGRYGDSA-N 413.950 1.912 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1301216248 GNEYNWDMVCYVDT-UHFFFAOYSA-N 416.482 1.267 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccsc2)CC1 1301502881 RMUJFXRBJCRSIN-UHFFFAOYSA-N 416.551 1.803 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cscn2)nnc1[C@@]1(OCC)CCOC1 1301520230 VMTCINXLUHYOBV-GOSISDBHSA-N 406.512 1.325 30 10 HDEE C=CCNc1ncc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)s1 1301716330 HIIIUKRAGAPFPF-UHFFFAOYSA-N 421.523 1.693 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1303514339 MEWSJTVNYZHOOW-HNNXBMFYSA-N 412.483 1.801 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1303629551 NCNOQBGCADLITQ-ZDUSSCGKSA-N 415.889 1.906 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1303635251 CKFLYKRCUQLBRU-LSDHHAIUSA-N 401.515 1.616 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1305115333 KYEFGPCFLOKDNM-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)c1 1314979437 HTCSBQXUJUFRFS-WMLDXEAASA-N 409.494 1.570 30 10 HDEE COC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1)OC 1315804528 IFNPFDQCZGXBAK-IRXDYDNUSA-N 424.461 1.990 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@H]2COCCO2)CCO1 1316540308 JFPJHNGMELNJBX-IRXDYDNUSA-N 401.442 1.542 30 10 HDEE C=CCO[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1320364890 KBLCGNDKAJRRMM-MSOLQXFVSA-N 416.526 1.269 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1320926597 KPAAURPPRBVGPY-OAHLLOKOSA-N 420.535 1.560 30 10 HDEE Cn1c(=O)n(C)c2cc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c(O)cc21 1324252592 UYYGMOIWJNJEST-CYBMUJFWSA-N 405.414 1.446 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)cc3C#N)CC2)cc1 1354900419 AVOAZJZSYSJBOB-UHFFFAOYSA-N 403.464 1.340 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358888580 PCCHIHDLLOMJHS-HNNXBMFYSA-N 408.506 1.657 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1358894630 SUDSTBMTTMSBAQ-HNNXBMFYSA-N 414.535 1.747 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1358917952 GUBAEYJOIXYPCJ-MSOLQXFVSA-N 401.511 1.761 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCc2ccccc21 1358948392 BJYABDHXPNQWOZ-WMZOPIPTSA-N 413.547 1.701 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1358977456 MTSSFNKKGDBODL-UWJYYQICSA-N 411.893 1.863 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)OCC)CC1 1359027914 AGIHUFPBQABFLC-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1359281667 GVIIPIUHJUHJQF-ZDUSSCGKSA-N 412.541 1.027 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359303687 XHLBBJZZTNNALT-QZTJIDSGSA-N 402.543 1.080 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1359343465 UBTOIOBYCNSGLL-JKSUJKDBSA-N 414.597 1.962 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1360473975 DRMBFUMMWGVQSS-SJLPKXTDSA-N 412.542 1.954 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]([C@@H]3CCOC3)C(F)(F)F)C2=O)cc1 1439859976 JAVSFPHTBPGSDJ-XPKDYRNWSA-N 424.379 1.847 30 10 HDEE C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(OCc2ccccn2)c1 1441886649 DLWMZCUPUGARPV-CQSZACIVSA-N 405.414 1.672 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 1443138088 MKMOFDJXJLOZRU-BEFAXECRSA-N 419.445 1.138 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 1443534823 HSZXPNVIFBUEEV-FRTIYWTKSA-N 420.263 1.958 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@H](O)c2ccccc2F)cc1 1445781995 CKOPTVQBNLEEAI-RTBURBONSA-N 404.463 1.979 30 10 HDEE CN(C)C[C@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446586352 MIYZJJYKVHIOQW-XMSQKQJNSA-N 416.522 1.821 30 10 HDEE N#Cc1cc(NC(=O)CNS(=O)(=O)c2ccccc2N)ccc1OC(F)(F)F 1448404027 MEDAGQNUQMEGMJ-UHFFFAOYSA-N 414.365 1.956 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)cc1 1452559494 DCCZXISIGUMIRA-OAHLLOKOSA-N 407.517 1.641 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1454444306 BPBWXYJANZFWAV-LLVKDONJSA-N 416.297 1.369 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCc3c(sc(N)c3C#N)C2)=NO1 1456733967 LJLIORDTWRDIOT-SNVBAGLBSA-N 405.480 1.756 30 10 HDEE CC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1462987189 CRNYQORXGGBBLN-LESCRADOSA-N 409.895 1.304 30 10 HDEE CS(=O)(=O)Cc1c(C(=O)Nc2nc3n(c2C#N)CCOC3)oc2ccccc12 1463333742 GOEMILVAFDTZLH-UHFFFAOYSA-N 400.416 1.828 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)NC[C@@H]4C3)C2)C1 1465612782 VSINMFOECWKYTP-LNWMTBOKSA-N 403.483 1.009 30 10 HDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(OC)cc1 1468380945 ILMLGNTZIWYWCS-QGZVFWFLSA-N 420.418 1.776 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1468873216 OEZVQAHNFBVFES-RVKKMQEKSA-N 406.504 1.648 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1469872883 WGUDRRFTHMSUTC-SFHVURJKSA-N 405.451 1.801 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCc3ccc(CC#N)cc3)no2)cn1 1470628927 RNLRWDWPYHTQIB-KRWDZBQOSA-N 407.434 1.819 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC(=O)N(CC(F)(F)F)C3)CC2)c1 1470671157 CWNVSVCPPNIENT-UHFFFAOYSA-N 409.412 1.896 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 1471451514 VFJMYDSRLSXFED-LBPRGKRZSA-N 404.319 1.709 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)cc1Cl 1475319754 BOSYFAWJTJEERW-LBPRGKRZSA-N 403.888 1.718 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1475685355 CNMVQBRUBSDCAX-CQSZACIVSA-N 405.517 1.271 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C1 1504034901 HJJVPBHRHDMZBI-UHFFFAOYSA-N 403.446 1.584 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1OCCN(C)C 1507514818 PLTDSTWWJGWFTF-KRWDZBQOSA-N 412.538 1.863 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507592014 RAYVSHBDMDITFR-GJZGRUSLSA-N 402.499 1.746 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1507595563 RNKCEFKEZNIULE-UHFFFAOYSA-N 422.489 1.437 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccccn1 1507608645 PQBCHRINLIRATE-UHFFFAOYSA-N 409.519 1.945 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1507623791 XGFKXXRISVVVGJ-OAHLLOKOSA-N 421.498 1.641 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(C)COC1 1507651688 BADAGWMFVDJHGL-UHFFFAOYSA-N 405.506 1.561 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCOC1 1507661935 MSLKPHBIRJHOEB-QHCPKHFHSA-N 416.485 1.950 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1507688512 BZGJUPVOJRQFJX-PKOBYXMFSA-N 410.522 1.910 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1507847204 IBCOMXSKDZIISB-NRFANRHFSA-N 415.542 1.695 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1507847682 PMAIVTKUFUNKHB-SFHVURJKSA-N 413.526 1.543 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NC(C)C)CC1 1507883228 UWPYXDPXRDIMPC-UHFFFAOYSA-N 421.505 1.873 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1)C1CC1 1507987315 XZOSFINJEBJXKC-UHFFFAOYSA-N 402.543 1.780 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1511286821 RFPCBJMJMALLES-PBHICJAKSA-N 409.494 1.761 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)n1 1515220207 OLUHWGLVENKFFY-UHFFFAOYSA-N 403.439 1.780 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)Nc2ncc3c(c2C#N)COCC3)c1=O 1525913997 SEFQDUJSRVFDBD-UHFFFAOYSA-N 410.430 1.782 30 10 HDEE COc1ccc(C(=O)N(C)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 1527339255 DYVXYDGRLUXRIR-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)cn2)cc1 1532780140 DDCFUNKRGHCNJS-HXUWFJFHSA-N 413.441 1.862 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1537469285 NJQYRFPGKPUSDL-KSZLIROESA-N 404.488 1.340 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CCCC2)cc1 1538356046 XJCIRLNBKHVHKD-LJQANCHMSA-N 419.547 1.975 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539215630 HIXDJKFBQWMDMI-CVEARBPZSA-N 403.508 1.310 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539219272 HSRVGVXLBUMOCU-LJQANCHMSA-N 415.563 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1539257822 OFRLWAJAGDNGIJ-FQEVSTJZSA-N 414.535 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CC[C@H](CO)O1 1539331708 WYBFMDVNVBPNMU-LEWJYISDSA-N 408.502 1.902 30 10 HDEE C#CCO[C@H](C)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1539593658 BQQLRQKTOVEXQB-ZIAGYGMSSA-N 407.433 1.625 30 10 HDEE N#CCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1540375683 ALMHEUTWYOTUHH-UHFFFAOYSA-N 414.443 1.808 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CNC(=O)c3ccccc32)nn(-c2ccccc2)c1N 1540797056 JNZIFHGZRWKVLY-IBGZPJMESA-N 414.469 1.902 30 10 HDEE CN1CCC(OCC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1540832448 NZYPNUWQHNTWLI-UHFFFAOYSA-N 414.485 1.625 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1540878174 QEURLBMQOZOGBS-INIZCTEOSA-N 421.505 1.959 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2C)C1 1540883751 DPFVDZGQCCRREX-UZLBHIALSA-N 417.514 1.277 30 10 HDEE COc1ccnc(N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1544129282 AEJWTRKLTZYJCQ-UHFFFAOYSA-N 415.475 1.421 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)n2)c(Cl)c1 1546092404 YHVDHDANRNCSOQ-XJKSGUPXSA-N 409.837 1.766 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCCNS(C)(=O)=O 1555039690 FSJBKZFFESMHTL-CQSZACIVSA-N 406.512 1.489 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O)c1cc[nH]n1 1556431292 SHOOKEFWBNGVBO-CYGHRXIMSA-N 420.510 1.872 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@@]3(C#N)CCCOC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1557134777 RAWRRHUAWVVQSD-RZQQEMMASA-N 403.483 1.560 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1557745074 FGPKSXSGLXUMDQ-AVRDEDQJSA-N 423.554 1.892 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(-c3ccc(C(=O)OC)cc3)n2)c1 1559374892 VHZPJENMFZJNAF-UHFFFAOYSA-N 404.386 1.456 30 10 HDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1559995135 IIEQLMNIJWNVQI-UONOGXRCSA-N 408.376 1.959 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1560091371 ICQKSFOUCDKTSR-INIZCTEOSA-N 407.902 1.525 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@](CO)(C(F)(F)F)C2)CC1 1560130037 JISKKYSFYBQTFL-YOEHRIQHSA-N 416.469 1.704 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1562230020 IIRURIPNLMXJOI-FCDQGJHFSA-N 417.535 1.719 30 10 HDEE Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1C(=O)NC(C)C 1565682468 FJNUJURNQOEZBT-UHFFFAOYSA-N 414.487 1.922 30 10 HDEE CCOc1ccc(NC(=O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1583245592 UIZMFFBBIVUFJB-UHFFFAOYSA-N 419.434 1.890 30 10 HDEE CC#CCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1586837279 WLFZMAKDMJXDJL-UHFFFAOYSA-N 407.536 1.457 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@H]1COCCO1 1587927228 ZBGIRYIPJPCEFJ-INIZCTEOSA-N 416.478 1.846 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(C)=O)cc1 1588627976 BNTZKACTIRGOMG-UHFFFAOYSA-N 405.462 1.828 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2nnc(C(C)(C)C)s2)CC1 1588890520 AYELGKHIZOTSMS-UHFFFAOYSA-N 401.540 1.750 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1589069954 PCHGOBOMWYFEJW-IBGZPJMESA-N 419.595 1.697 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)COC)CC1 1594449452 YXMIKRADZQVSFO-UHFFFAOYSA-N 420.558 1.750 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594784020 ONCFFRDBNPEWEJ-INIZCTEOSA-N 404.515 1.761 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1595218468 LBLXWKBGEXLMGL-CQSZACIVSA-N 407.496 1.541 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)C[C@H]1CCCO1 1595466237 HABHOYABKLOBOD-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1595467689 YJWAMUHYATZVRD-HXUWFJFHSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595516551 GWTDVBFWHTXOBJ-ZDUSSCGKSA-N 423.926 1.524 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595760083 KCNPOSZBIVNZFH-MRXNPFEDSA-N 406.556 1.805 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1595776747 DZAJZCUNLXRXJI-FUHWJXTLSA-N 420.535 1.786 30 10 HDEE COCCCNC(=O)CN(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1597763402 UQOMSEONKRLUDI-CQSZACIVSA-N 406.870 1.176 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2c(C#N)c(C)nn2C)cc1 1617078394 AIAQKVDMVFBSLD-UHFFFAOYSA-N 417.491 1.842 30 10 HDEE Cc1nn(C)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)c1C#N 1617080069 ZTNHLGQVNDJTRX-SFHVURJKSA-N 418.816 1.798 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)CCNC4=O)C2=O)cc1 1617330195 WIUWQAMUKMJACZ-SFHVURJKSA-N 417.425 1.688 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCCCO 1617793007 HRLDIIRDEPMPDI-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)Cc1ccccc1OC)c1cc[nH]n1 1620922128 QPPVKNDIKWLXBY-CQSZACIVSA-N 402.451 1.792 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1623350500 GKKWYAVNJHUJQT-KRWDZBQOSA-N 421.542 1.386 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC([C@H](O)C(=O)OC)CC2)CCCN1C(=O)OC(C)(C)C 1623549306 NEDSAHZTRXTUMS-KKSFZXQISA-N 408.495 1.552 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 1624395803 YNJVGPRRFWBVMR-IBGZPJMESA-N 419.437 1.245 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Br)c(S(C)(=O)=O)c1 1624565507 QVBROCSHEUWYMZ-UHFFFAOYSA-N 403.254 1.381 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)cc1 1625880755 FAZKRVQYKIHUOZ-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 1628146729 NNXUXTYBQQYPJZ-SFHVURJKSA-N 420.554 1.307 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1628161544 MRFMZQKWZLAQKQ-OAHLLOKOSA-N 418.498 1.217 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1629029270 OGSKRMLENNDMIO-HNNXBMFYSA-N 407.341 1.849 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)OC 1629612653 LZJCGMLQTQCHTF-GOSISDBHSA-N 414.483 1.768 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1629736006 HRRPNJORADGFTD-ICSRJNTNSA-N 416.522 1.738 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(-n2[nH]c(O)nc2=O)cc1 1631654611 WFZAZFADMRNBFM-UHFFFAOYSA-N 406.446 1.342 30 10 HDEE C=CC[C@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccncc1 1633820538 QAZBOJPROFIARU-INIZCTEOSA-N 422.894 1.546 30 10 HDEE C#CC[C@H](COC)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1635287588 QIHKPNOUUKOERR-HXUWFJFHSA-N 414.550 1.695 30 10 HDEE C=CCC[C@H](CO)NC(=O)CNC(=O)c1ccccc1I 1635343039 LMWPUGBPXWHDJU-LLVKDONJSA-N 402.232 1.464 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2C(=O)OC)cc1 1635888946 JDCIZIAPMILBOS-UHFFFAOYSA-N 400.456 1.357 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1 1635971023 HFLQWFMDKVPHKC-OAQYLSRUSA-N 414.437 1.834 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CCF)CCOC)nnc12 1638905652 XLRFJFQVJQILOR-UHFFFAOYSA-N 419.482 1.767 30 10 HDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccccc1C 1640636299 ATMPVXHVOUDGCA-UHFFFAOYSA-N 418.457 1.964 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(CO)CCc3ccccc32)cc1 1640666845 HFDKJHJRDSVUSZ-OAQYLSRUSA-N 413.499 1.485 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1641574798 RNQWCGBQJLCBAR-INIZCTEOSA-N 422.890 1.551 30 10 HDEE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)cc1 1643675738 HSRRTEWJPFGYPX-QFIPXVFZSA-N 405.458 1.708 30 10 HDEE C[C@@H](CC(=O)N1CC(CC2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644613119 VDEFHPRKWBMZLG-AWEZNQCLSA-N 405.520 1.779 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCn2ncc(I)c2C1 1644632698 CUJGXMFAJHFOGZ-IAQYHMDHSA-N 415.279 1.746 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1649538054 LTYCIWWJVLUWTC-DNVCBOLYSA-N 410.540 1.213 30 10 HDEE C#C[C@H]1COCCN1C(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1651069396 RPKHFTOSFATHSV-AWEZNQCLSA-N 409.471 1.183 30 10 HDEE CC(C)(CCC#N)CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1673345282 HRLCZJKINOOSHT-UHFFFAOYSA-N 407.540 1.678 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](CO)c1ccccc1I)[C@H]1CCCO1 1681816689 XGDMKMWRMZRDRJ-SOUVJXGZSA-N 414.243 1.805 30 10 HDEE CC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(OC)c(OC)c1 1682224208 DAJZUIXISXCQGI-CQSZACIVSA-N 401.423 1.288 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689985855 CVIOGHYHFPKABC-UZLBHIALSA-N 419.551 1.317 30 10 HDEE C=CCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653119 CVCUCXNMNZUINK-SOUVJXGZSA-N 404.515 1.902 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(C#N)C1 1690727148 VKZGBEIISLTAEB-HXUWFJFHSA-N 414.535 1.995 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1690743595 DIIXACRXJMEUKH-MRXNPFEDSA-N 403.556 1.761 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCCn1cc(CO)nn1 1692660476 CNDDSKIGFPSUFU-CQSZACIVSA-N 400.512 1.843 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)CCCO1 1696331691 HXNWSBNZHGIFNI-OAQYLSRUSA-N 411.510 1.977 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1696770498 DIDWKCYQBFNRFL-UHFFFAOYSA-N 422.493 1.829 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)C 1698238803 KBXXDYLQEZHLCG-IRXDYDNUSA-N 404.515 1.514 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1705477367 NAINEZWOYCCCMZ-HUUCEWRRSA-N 412.519 1.943 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1705604510 NVTSQUKMEIPPBF-OAHLLOKOSA-N 417.535 1.469 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705684805 CUBBDAPIBJVSFL-AWEZNQCLSA-N 420.315 1.996 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)CCS(C)(=O)=O 1705703327 MHUIXYIFGXRILB-NVXWUHKLSA-N 422.555 1.531 30 10 HDEE C=C(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1705728613 PUNDFRQQFFQJLQ-NRFANRHFSA-N 414.510 1.551 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705729064 JUKJWMHFTVZXAB-IRXDYDNUSA-N 407.515 1.393 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705876034 NFZLMJIXZPFOFO-GJZGRUSLSA-N 415.585 1.541 30 10 HDEE C=CCSCCn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1705940652 LFKXJGFHYIOKMC-QFBILLFUSA-N 406.600 1.885 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705948179 JWTZLOXUWAQFLR-IRXDYDNUSA-N 415.567 1.774 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nc(C)no1 1711982396 HDLYLYQVJPJCOU-KRWDZBQOSA-N 423.477 1.931 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722341533 YVTVHYABMDAYFG-KNQAVFIVSA-N 419.570 1.889 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCCC)c1 1722342483 ZNVLALMKUYNPHL-UHFFFAOYSA-N 408.506 1.772 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1722367033 KKJKCNYJGZVLGC-ROUUACIJSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)c1 1722374534 WUQORDOTFDZVKD-JOCHJYFZSA-N 410.522 1.758 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1722403433 QPHATMWXKHSVDB-UHFFFAOYSA-N 410.522 1.820 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722412026 UANHFIBNKBYZIT-MSOLQXFVSA-N 402.543 1.184 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1722416480 YYCTZFAGURMXHF-KRWDZBQOSA-N 410.478 1.613 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCOC(F)(F)F 1722418990 KNCRFCCDVMAWHL-UHFFFAOYSA-N 403.405 1.527 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C2CC2)N(C)C)CC1 1722431117 GBQUUQZXXYMVEG-SFHVURJKSA-N 422.537 1.021 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2nc(C)cs2)CC1 1722436837 LWZLFOYKGJQWCK-GDBMZVCRSA-N 413.551 1.553 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(C)=O)cc2)CC1 1722438317 PWFJUBBGFAAHBX-UHFFFAOYSA-N 416.489 1.497 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1722600255 NIULATPDDFYPNN-CABCVRRESA-N 410.544 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1722696315 IPTFBYQODLLHGL-QGZVFWFLSA-N 422.493 1.053 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 1722698750 LNTQPMGRGLTDBJ-QGZVFWFLSA-N 402.543 1.539 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC=CCC1 1722725389 NVMJIQAHVBNFRA-UHFFFAOYSA-N 402.480 1.293 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1723770477 AWCUAZPBRXWJKL-AWEZNQCLSA-N 422.493 1.409 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N1CCCCC1 1727606642 BYMWNHXXSGVBQJ-UHFFFAOYSA-N 422.537 1.836 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCC1 1730325434 GIBSFXWQAGUPQZ-MRXNPFEDSA-N 413.478 1.900 30 10 HDEE COCC[C@](C)(O)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1730639678 VMGOLFOQTXHESC-SFTDATJTSA-N 421.542 1.846 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCCN2CCOCC2)CCO1 1731187452 QBZZYOCDWNBNJX-NRFANRHFSA-N 424.549 1.904 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCNc1nccc(C(F)(F)F)n1 1740612490 AURFLGULWLQITI-UHFFFAOYSA-N 422.415 1.391 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1740686957 ZCVHXJZZYBYIME-PMACEKPBSA-N 419.570 1.615 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2cc(C)nn2C)n1 1740688991 NGIQDQGIJCXAIT-UHFFFAOYSA-N 408.510 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1740760069 GMOZVWOYMHXUDU-TVFCKZIOSA-N 424.567 1.634 30 10 HDEE C=C(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740785224 PJOYFGYEALYQIF-GOSISDBHSA-N 413.544 1.024 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC1 1740939195 SGUGQZGXIQFEEZ-UHFFFAOYSA-N 406.508 1.512 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(CCS(C)(=O)=O)C1CC1 1748697509 KYMBJWPRRWQHOI-UHFFFAOYSA-N 407.540 1.331 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1748790225 GKAAKJWRKOTBHY-UHFFFAOYSA-N 406.498 1.191 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748843468 FMXSQVFRTXSATE-GOSISDBHSA-N 419.489 1.444 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSC(C)C)CC1 1749010583 SVUXZZOXCQEEBC-INIZCTEOSA-N 418.567 1.337 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1749019912 FHWJZBTYQWPJFW-UHFFFAOYSA-N 407.540 1.169 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(=O)NC)c2)C1 1749705847 KSQRBLOOMFDPIB-LJQANCHMSA-N 421.505 1.868 30 10 HDEE COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 1749848362 RSKSPPAHOCEYPH-UHFFFAOYSA-N 424.534 1.874 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1750348144 VJEOLPUERQPOHL-QHRIQVFBSA-N 421.477 1.584 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760161638 MIDMMDYSVSCASA-QAETUUGQSA-N 412.556 1.673 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1760170671 LWLLHRFGCYWDEU-UHFFFAOYSA-N 407.478 1.176 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCCCO1 1760209684 GSZHELSDJWDLMF-DLBZAZTESA-N 407.540 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760221603 CUGOFOHWUQHZDE-FQEVSTJZSA-N 404.536 1.023 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(CC)nn(C)c2OC)CC1 1760391453 CSUCQTJWGNDERQ-UHFFFAOYSA-N 413.526 1.910 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760428136 PTMHGOJZLNCGHK-QZTJIDSGSA-N 416.570 1.927 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1760437894 QZOQGIVPXKQFAK-QFIPXVFZSA-N 421.505 1.860 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760449823 WIJYXMFHIXZRSZ-UHFFFAOYSA-N 404.515 1.322 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(N)=O)CCOCC1)C1CC1 1760475401 GEZMWNSFRRKSKR-RDJZCZTQSA-N 419.526 1.439 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760514924 OOMRKXDNLAZXOH-QYZOEREBSA-N 405.543 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(OC)cc1)C1CC1 1760521540 WKHXMVRAPOBHLY-GOSISDBHSA-N 424.505 1.709 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C)C(=O)C1 1760528225 WGNSWLGRYPYZTL-UHFFFAOYSA-N 412.494 1.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)C1 1760542927 OMMIMXCREQBGOT-OKZBNKHCSA-N 402.543 1.885 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1761362734 HPLUCLBSRXWFNC-OAGGEKHMSA-N 417.539 1.693 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O)N1CCOCC1 1761396012 HQPCYCVECCQRJE-HOTGVXAUSA-N 411.510 1.238 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1767492121 DAUAPNQVYYQCTE-SFHVURJKSA-N 406.487 1.550 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1769418426 ATBWDZYDHUWJPT-BCOMRZATSA-N 413.503 1.727 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCOCCCO)c1 1770745955 HOERVHWOIKSLPR-LJQANCHMSA-N 424.505 1.417 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1771125756 COCWKEGTUQXLDV-SJLPKXTDSA-N 410.478 1.169 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1772793090 SZYVRRFYFAHASC-UHFFFAOYSA-N 414.439 1.285 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)c3ccc(N4CCOCC4)nn3)CC2)n1 1849649630 LGBWIICXKLOEMC-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC#CCN2CCCCC2)c1 1850265036 WCNCMLSEKCJKES-FQEVSTJZSA-N 403.548 1.754 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 1852167243 WGXCUUXSGGKKIC-GOSISDBHSA-N 411.506 1.410 30 10 HDEE Cc1c(CN(C(=O)c2ccccc2OCC#N)[C@@]2(C)CCS(=O)(=O)C2)cnn1C 1853587921 VXVWLPPREHOAMF-FQEVSTJZSA-N 416.503 1.851 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(F)cc3)C(=O)C2)cc1 1854037418 KBHGUQGLWUUWEE-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCCO4)C(=O)C3)C2)c(F)c1 1854318951 LMKQCUZBIOIRMP-AZUAARDMSA-N 414.481 1.512 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2=O)cc1 1854467636 DDXFKIBNYXGHNZ-MRXNPFEDSA-N 422.407 1.325 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@H]2C)cc1 1854679667 FFKNFASBKNZVCZ-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3nccc4ncccc34)C(=O)C2)C1 1855045547 GIYYAWUKJFEWKC-DLBZAZTESA-N 406.490 1.681 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855740116 OJYNIXNRNSVDBS-GDBMZVCRSA-N 405.476 1.265 30 10 HDEE CC(C)C[C@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235088 AYFQXLOMSNATOC-HOCLYGCPSA-N 402.474 1.228 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC(Cn4cncn4)CC3)CCC2=O)ccn1 1856512078 SNZDWEKEKMYVPR-KRWDZBQOSA-N 407.478 1.336 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2=O)CC1 1856537644 ORQXDFGHQRNVBU-GOSISDBHSA-N 410.474 1.555 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1856635867 VOGJYNSKGGONIA-SFHVURJKSA-N 419.503 1.900 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857097786 GCSLWIUTMADIGF-ZDUSSCGKSA-N 416.434 1.295 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CSC2CCCC2)C1=O 1857149995 MUXZNTOQXKSSTA-QGZVFWFLSA-N 414.535 1.272 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(F)c(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857228602 QRHCJZYOKUHGKC-YVEFUNNKSA-N 409.408 1.811 30 10 HDEE C[C@@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CCS1(=O)=O 1857343695 UXIOANHQDJDFRY-WBVHZDCISA-N 403.504 1.446 30 10 HDEE COc1ccc(S(=O)(=O)Nc2c(C#N)nnn2Cc2ccc(C#N)cc2)cc1OC 1870095463 LTCGNYVMESVSQG-UHFFFAOYSA-N 424.442 1.888 30 10 HDEE C=CCN=c1nc(N2CCC(C(N)=O)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871511418 BRHSQCONOKMLOR-UHFFFAOYSA-N 401.902 1.720 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541009 NMSDVCAPPTWKDG-UHFFFAOYSA-N 418.498 1.173 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OCC)cc1 1874432463 HEGOUXRCZUNGLB-SSDVNMTOSA-N 418.523 1.813 30 10 HDEE N#Cc1ccnc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074676050 ISWUTKMQPAMEBF-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2118171007 SVLQHTRXXMPYAX-MSOLQXFVSA-N 418.519 1.858 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)[C@@H](C)C#N 2174789257 OMWGVJFDUNCMPQ-MJBXVCDLSA-N 403.501 1.397 30 10 HDEE C#CCN(C(=O)[C@H](CCNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 2180137703 OQGFJPKDZHNMNR-HZPDHXFCSA-N 400.541 1.822 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(N)cc1C#N 2205584813 JVJKROZKESYPAZ-KBPBESRZSA-N 412.537 1.770 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCNC(=O)OC(C)(C)C)n1 2247815719 FKEGAMAIBHIDOV-UHFFFAOYSA-N 423.323 1.149 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2255632251 KRYFVWHFHUXVOS-HDICACEKSA-N 422.338 1.913 30 10 HDEE Cc1nc(S(=O)(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c(Br)n1C 2260814148 QPAYBIDCWJFGFC-UHFFFAOYSA-N 420.138 1.957 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@H]4CCO[C@H]43)cc2Cl)OC1(C)C 2267355696 HYISSTKSSCOAPL-GGZOMVNGSA-N 405.734 1.766 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CSC 2267374795 XEENPMLXPIKVIX-LBPRGKRZSA-N 407.388 1.704 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281803709 AXAOOZGRVDTUGR-NSHDSACASA-N 402.347 1.384 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](CO)CC3)c2)OC1(C)C 2282348103 HJOGFCSCGAHNJD-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CCNC3)ccc2Cl)OC1(C)C 2282490834 LACYPBCPWULEBN-LBPRGKRZSA-N 400.737 1.527 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3CCNCC3)ccc2Cl)OC1(C)C 2282497346 OOMSCIPQQRSMMI-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CN([C@H](CO)CC1CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282499839 GCFMSVOUUVMJRP-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE CCCNCCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282503411 ZQTAACAZEKOBIU-UHFFFAOYSA-N 402.391 1.942 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282503713 DSKZJXBTHLBEFS-VWLOTQADSA-N 419.399 1.378 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCS(=O)(=O)CCO3)sc2Cl)OC1(C)C 2282622876 ASWOJRJFKPBXIH-UHFFFAOYSA-N 421.733 1.503 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282655585 PKWKFIUZAWHOMZ-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H](O)C3)ccc2Cl)OC1(C)C 2282866640 MSHVZOZULQUNMZ-LBPRGKRZSA-N 401.721 1.785 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300271997 ORLROIFTLWFGPF-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE CC#CCN(CC(=O)N(C)Cc1nn(C)nc1Br)C(=O)OC(C)(C)C 2316093910 DKZAXTGUYPGTFK-UHFFFAOYSA-N 414.304 1.796 30 10 HDEE COC(=O)c1[nH]c2ccc(F)cc2c1C=Nn1c(S)nnc(CCC(=O)O)c1=O 2321663708 ATOIZTUPMPUGHE-UHFFFAOYSA-N 419.394 1.233 30 10 HDEE O=C(O)c1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 2322614543 SJQGWDSDZZXASC-LBPRGKRZSA-N 410.839 1.401 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccnc1 2330749825 NBIYMJOMARUABQ-UHFFFAOYSA-N 413.463 1.193 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792568 PQXKNZUANXECSU-STQMWFEESA-N 414.553 1.272 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367795659 MYKKDUIJCMWPHR-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](Cc1cncs1)NC(=O)OC(C)(C)C 2367804894 XJYZPSUSLZKGQI-LSDHHAIUSA-N 413.565 1.748 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@H](CC)NC(=O)OC(C)(C)C 2367824850 NMYJZBWJKAVDOH-DAYGRLMNSA-N 402.557 1.599 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825726 RPCWOIQUSPPDEK-LIRRHRJNSA-N 400.541 1.292 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 31399654 UBUCFNVBVZJWPJ-UHFFFAOYSA-N 407.405 1.049 30 10 HDEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccnc1 170356584 HSJRUUJQCBIWRZ-INIZCTEOSA-N 401.444 1.854 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(c4cc(C5CC5)[nH]n4)CC3)cc2)c1N 428476978 SNCRZEJFPYBMNM-UHFFFAOYSA-N 402.462 1.889 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 429299830 GUSKWKJOUOMOLH-CWLKWCNXSA-N 400.479 1.924 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)n(C)n1 436294038 PFEPJLKBXPPSLK-SFHVURJKSA-N 420.521 1.978 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 437986484 MRMXSKFAZHMREF-VQIMIIECSA-N 422.551 1.408 30 10 HDEE N#CC1CCC(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 442972929 MIDUHXZREASYBE-LADRWXRNSA-N 409.490 1.982 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCOc1ccc(C#N)cc1 460285733 ZHZDSYSXDQZXFZ-UHFFFAOYSA-N 416.503 1.880 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cn1 462087971 LETWMNUJGCRFBD-INIZCTEOSA-N 409.450 1.242 30 10 HDEE C=CCCCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 468379421 MMWDYKQVDBXSSH-UHFFFAOYSA-N 405.476 1.657 30 10 HDEE COc1ccc(NC(=O)c2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 474205003 UJDISBSLBWPLNZ-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 488579541 JQHNCPBREHNRFF-UHFFFAOYSA-N 404.540 1.690 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](O)COc2cccc(C(F)(F)F)c2)cc1C#N 489441560 TUAJQHXLBXQEOK-CQSZACIVSA-N 415.393 1.999 30 10 HDEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 489875608 SDBKWMJDWFBGRZ-ZJUUUORDSA-N 408.509 1.617 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccn(C)n3)nnc12 498554939 NKTJVHXDXNMALX-UHFFFAOYSA-N 409.475 1.372 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 505583409 BLRDOJMWRFNVPB-SFHVURJKSA-N 412.534 1.899 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC(C)(C#N)CC1 506313945 BNMDCHKYZWPSDY-UHFFFAOYSA-N 422.507 1.874 30 10 HDEE C=CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 507765546 FJNUELFHCYNSST-HNNXBMFYSA-N 404.488 1.655 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2C)CC1 507983523 UIXPODMIYJMGSV-UHFFFAOYSA-N 414.510 1.314 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)c1 513784273 OGDLKTSYKCHUES-OAQYLSRUSA-N 409.467 1.811 30 10 HDEE N#C[C@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 518228204 TWZBKUDQRQABHZ-KRWDZBQOSA-N 423.491 1.966 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nccn2CC(F)(F)F)c1 540271426 HEDUOTIOTKMLSY-UHFFFAOYSA-N 402.398 1.840 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546218478 UNNPZYIVOLEMSR-UHFFFAOYSA-N 400.464 1.215 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 549495195 KDLATUMZTDDJTJ-HUUCEWRRSA-N 421.461 1.100 30 10 HDEE CN1C(=O)CN(CC#CCN2CC(=O)N(C)[C@@H]2c2ccccc2)[C@H]1c1ccccc1 551450226 FFQYGLFUJJKYPH-ZEQRLZLVSA-N 402.498 1.935 30 10 HDEE CCn1c(CNC(=O)NCCn2cnc(C#N)n2)nc2cc(Br)ccc21 558161460 UQPHSGWGYKHANA-UHFFFAOYSA-N 417.271 1.781 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc([C@H](C)OC)no1 558991603 NMIKERIQPGRUPN-NEPJUHHUSA-N 413.504 1.191 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@@H]1CCCO1 565578762 APBBNFMUKAPCBZ-NSHDSACASA-N 409.920 1.053 30 10 HDEE C=CCn1c(Cc2noc(C[C@H](O)Cc3ccccc3)n2)nnc1N1CCOCC1 576746608 HJVXVXLFEMOMQJ-QGZVFWFLSA-N 410.478 1.421 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(F)c1 586864159 MPGPYIWSGBCMFS-UHFFFAOYSA-N 420.395 1.250 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 587653378 HHUZCQOCNKDIRC-UHFFFAOYSA-N 407.474 1.672 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccncc1 589163963 GSHJRPYEDPAPHV-RXVVDRJESA-N 401.511 1.142 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)O)cc1 611527251 WLWDJHZLMVIBCT-FZKQIMNGSA-N 405.451 1.350 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 611668595 NCIYFJIFSHCCOG-IBGZPJMESA-N 402.520 1.600 30 10 HDEE N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 615630646 CLMOUZUIUQCHLK-KSSFIOAISA-N 409.439 1.042 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(=O)OC)C1 727159022 DEEUOMXMNIUCDH-GOEBONIOSA-N 421.519 1.696 30 10 HDEE C#CCN(CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 731213618 IMLKAKMUQKKNIN-LJQANCHMSA-N 414.531 1.228 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 731861011 FXYQPZBUDLLLDB-WVOMEGHKSA-N 402.838 1.336 30 10 HDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C3CC3)nc21 732664443 JMXUNCBXXSHPGL-CQSZACIVSA-N 408.462 1.207 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732702033 PLGZGAAWPOIPHQ-SFHVURJKSA-N 420.558 1.311 30 10 HDEE Cc1ccc(-c2nc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cs2)cc1 732908537 NYUIGUZMJHDNJP-CQSZACIVSA-N 403.485 1.698 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CS(C)(=O)=O)C1=O 733202772 XDBQSBGGIJSLIV-MFKMUULPSA-N 401.485 1.326 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749363401 HOBHBGFGIZXQQH-OAHLLOKOSA-N 418.299 1.731 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 751730679 ZGLWPSNRDLMDLM-UHFFFAOYSA-N 400.479 1.695 30 10 HDEE C#CCN(CC#C)C(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 752154005 WONYAYNURYSCLJ-QGZVFWFLSA-N 424.526 1.640 30 10 HDEE CCc1c(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cnn1CCC(C)C 756098305 FEDLNTPRTCFZTH-ISLYRVAYSA-N 416.482 1.073 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758327276 XGMMSRXQCVKENS-GOEBONIOSA-N 407.515 1.692 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)c1 759865791 DUVSFORLEJNTPF-KRWDZBQOSA-N 406.504 1.935 30 10 HDEE C[C@H](CC(=O)NCCOc1ccc(C#N)cc1)NS(=O)(=O)c1cccnc1Cl 760661853 FKIOWMFVOMADNT-CYBMUJFWSA-N 422.894 1.859 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cn(C(C)C)cn3)cc2C1=O 767505168 AKKXSJGHKNTRPR-UHFFFAOYSA-N 402.432 1.365 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)Nc2cnn(C)c2C2CC2)cc1 770778158 LCJCNUBHLLUVKW-UHFFFAOYSA-N 417.491 1.681 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 774146329 NATKXNGBOPTZOO-IRXDYDNUSA-N 423.535 1.138 30 10 HDEE C#CCN(C(=O)NCc1ccc(Br)c(F)c1)[C@H]1CCS(=O)(=O)C1 774186514 IBADJMKAFUZOPY-LBPRGKRZSA-N 403.273 1.920 30 10 HDEE C#CCN(C(=O)N[C@H](CC)CS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774254274 JNOLSAWYJFVMDV-CVEARBPZSA-N 412.533 1.071 30 10 HDEE COc1ccc(CNC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C#N 775450768 VZQXZEHZWZMYMC-QGZVFWFLSA-N 417.510 1.917 30 10 HDEE Cc1nc(CN(C)C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)no1 781440558 MMOQMSFRXFNSMM-PGMHBOJBSA-N 406.468 1.855 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1 781597328 HTKGVIRTXPJSKF-INIZCTEOSA-N 401.419 1.807 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2scnc2C2CC2)c1=O 782601221 NVBQZLROLNDZBE-UHFFFAOYSA-N 415.540 1.762 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2=O)cc1 790855194 JNLMYVDQKQUXAX-HEHNFIMWSA-N 422.507 1.077 30 10 HDEE CCC(Cn1cncn1)=NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 794449735 ZFLPGTKIOBYICP-UHFFFAOYSA-N 407.456 1.849 30 10 HDEE C#Cc1ccc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nc1 797581946 BJFOEORVPOOWNM-FQEVSTJZSA-N 400.456 1.675 30 10 HDEE CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)cc2)CC1 798743582 IXHPWDXPWIAQHK-HNNXBMFYSA-N 411.466 1.035 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)(c2ccc(F)cc2)C1 802623176 QYKBHEHTQGITBU-UHFFFAOYSA-N 417.462 1.374 30 10 HDEE C[C@@H](OC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N(C)CC(=O)NC1CC1 805591637 XEMWAXISOCRCTB-UKRRQHHQSA-N 416.453 1.192 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 812090343 IKRJUGRAPUJIBR-KUHUBIRLSA-N 424.477 1.675 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)NCCNc3ccc(C#N)cn3)cn2)CC1 916419656 PENKLKBJGFAVFL-UHFFFAOYSA-N 408.510 1.401 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(NN=C(C)c2ccncc2)n1N 1084459595 CAASTUUTCZIRDC-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCOC[C@H]2OC)c1 1125418779 MNNDGDGJKVXVFT-UYAOXDASSA-N 400.475 1.301 30 10 HDEE Cn1nc2c(c1C(=O)N[C@@H](C#N)c1cccc(C(F)(F)F)c1)CS(=O)(=O)CC2 1127756398 KHYIRRNLQVKXFF-AWEZNQCLSA-N 412.393 1.904 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OCc1ccccc1 1130292485 UADUIRYIZXYWHE-OAHLLOKOSA-N 415.471 1.740 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCCNc2ncccc2C#N)CC1 1136424258 RMNJPHZILHRKAD-UHFFFAOYSA-N 402.499 1.470 30 10 HDEE CN1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC[C@H]21 1151993341 QAMKNYNAFPWNLK-SJLPKXTDSA-N 418.563 1.838 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CCO2)cc1 1157529750 DQRLJJZQVLCULG-LJQANCHMSA-N 420.400 1.959 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1 1181396680 QHCHGLIOUTWQBY-UHFFFAOYSA-N 421.519 1.844 30 10 HDEE N#Cc1ccc(N2CCN(CCOCCN3C(=O)c4ccccc4C3=O)CC2)nc1 1190485700 OWHRDEWXATUGOD-UHFFFAOYSA-N 405.458 1.388 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1OC 1219086638 IYPUDOXGBONHPU-TZMCWYRMSA-N 419.297 1.947 30 10 HDEE C#CCN(C(=O)Nc1c(Br)cnn1C1CC1)[C@H]1CCS(=O)(=O)C1 1220395737 TVBOZTCFEGLVPA-NSHDSACASA-N 401.286 1.635 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1221574019 GOZQANAAFXUNFA-KRWDZBQOSA-N 402.432 1.547 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21 1266526973 ZUMYRQYXQRJXKE-LLVKDONJSA-N 401.282 1.592 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCc1cnccn1 1286343639 AUZVEQGMPQAELZ-UHFFFAOYSA-N 414.477 1.803 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1286397274 YRAORPWRHDOSHQ-MRXNPFEDSA-N 407.540 1.087 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@]1(N(C)C)CCSC1 1286459369 NTQSIGCYEHYNES-FQEVSTJZSA-N 400.552 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N(C)C 1286469087 QAYVAIHERRDAIJ-UHFFFAOYSA-N 405.886 1.685 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCOCC2)C1 1286509116 VPMWXBMUKNMDPD-UHFFFAOYSA-N 403.552 1.774 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286509410 PVQDDMCSOLBSPY-ZWKOTPCHSA-N 405.568 1.307 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1286512861 OKXJBSHFOCIWLK-XLIONFOSSA-N 405.568 1.797 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286710538 ZQFIKCYOIDMHLL-IAGOWNOFSA-N 416.526 1.413 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1286759120 IUGPYJAOLZNAGT-QFIPXVFZSA-N 407.522 1.762 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1286779318 ILBSNZGAKFTLHP-GJZGRUSLSA-N 414.441 1.588 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](COC(C)C)C1 1286788640 ANVWCVICVYMKHI-GOSISDBHSA-N 414.510 1.196 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286788940 KMEOMFLAPDCMRA-LJQANCHMSA-N 424.549 1.784 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)C2)c(F)c1 1289397800 LEUHHKSLBLUOQI-VQIMIIECSA-N 405.495 1.949 30 10 HDEE NS(=O)(=O)c1nc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)n2ccccc12 1290504183 BEAVPADBPUBORI-UHFFFAOYSA-N 422.388 1.782 30 10 HDEE C#CCN(CC(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1)C(=O)OC(C)(C)C 1297282079 DOKDNMAEZMQQOG-OLRZCDJHSA-N 408.524 1.405 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(C)=O)c(OC)c1 1300041625 SWMDYHFAPZJGFD-HXUWFJFHSA-N 416.457 1.930 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300358019 FYOAHOODCRTGRS-MRXNPFEDSA-N 417.539 1.304 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1300468838 NGABGXOFYFRNTB-MRCUWXFGSA-N 420.473 1.473 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1300486751 AJUOLDBKXOLVOO-QGZVFWFLSA-N 417.535 1.782 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)CC1 1300881326 NSNVNLARRUPWOH-HKUYNNGSSA-N 415.542 1.428 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OC)C1 1300886066 VSDGPLWTWHJMNY-YVSFHVDLSA-N 410.540 1.387 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cn2ccnn2)CC1 1301050662 CXYZXRUWBXFVAB-UHFFFAOYSA-N 404.906 1.661 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301186064 QPQRKKAAEFJSRU-QZTJIDSGSA-N 402.543 1.744 30 10 HDEE Cc1ccc(C(=O)N2CCc3c(cccc3C(N)=O)C2)cc1S(=O)(=O)NCC#N 1301418513 RKSOLEMOGUQNCL-UHFFFAOYSA-N 412.471 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1301585234 IYSPRDBYGKMQDA-CLCXKQKWSA-N 407.540 1.599 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1301958479 BZCYRICIXXFLBS-FUHWJXTLSA-N 412.542 1.812 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)sc2Br)CC1 1302924133 IKOZJBIXLFSRQF-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1313034647 MRSCVTVRQVXIOF-KRWDZBQOSA-N 406.527 1.552 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1313405940 BDYQLXDJJGNITO-UHFFFAOYSA-N 414.506 1.802 30 10 HDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CC1 1315679693 BEMJKDHAPKKJRI-WXLSXGNJSA-N 412.560 1.689 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(F)c1 1316210850 RAMCKCRUVXLHQG-MAUKXSAKSA-N 419.457 1.949 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCCCCO)cc1 1316534109 OWBPYWMKVOTHNW-JOCHJYFZSA-N 424.505 1.608 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1351512142 SIYZYCAYSRFEAH-FQEVSTJZSA-N 400.523 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1358887101 PMVRAMFWIDOPMQ-MRXNPFEDSA-N 421.505 1.774 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1358918426 UOQMLDMRCYNVQV-LLGFUMIMSA-N 417.510 1.668 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358955636 QGUBXDXWQBATDP-HNNXBMFYSA-N 423.583 1.507 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358963799 OFJGNPBKTUPDMN-BSDSXHPESA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCCC1=O 1358982263 PQVYKAKQDOGHRU-UHFFFAOYSA-N 407.522 1.615 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1COCCO1 1358987899 WPQDPQATAPCAAE-FQEVSTJZSA-N 410.474 1.841 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1359013200 OPOQIJYWSNSISH-QGZVFWFLSA-N 404.540 1.424 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359070775 UJZBGEZMIRYEOZ-XQLMRJDBSA-N 410.478 1.301 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1359271891 GGGROSKNVRKNQR-INIZCTEOSA-N 410.540 1.290 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359341564 AIPDNBUAFOUKGT-LJQANCHMSA-N 404.540 1.889 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)C1=O 1440143679 HDTRHYBEUINQFZ-ASSNKEHSSA-N 413.430 1.045 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc(Br)cc(N)c3N)CC2)c1 1440876653 NJCGWVRILXTKRJ-UHFFFAOYSA-N 401.268 1.843 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1 1441888687 RAQGQWUDVWUWEZ-KRWDZBQOSA-N 400.479 1.274 30 10 HDEE O=C(CCC(=O)N1CCN(c2ccccc2)CC1)NCc1ccc(C(=O)NO)cc1 1448498616 BISQMFVFIQGRBK-UHFFFAOYSA-N 410.474 1.551 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]2(C)c2cccc(Br)c2)CC1 1449060094 JVXXQWXONKGHGG-PXNSSMCTSA-N 418.335 1.620 30 10 HDEE C[C@@H](CC(=O)N1CCN(C)C2(CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1449888793 BYOWHIVLUFEWCH-INIZCTEOSA-N 418.563 1.981 30 10 HDEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1452415555 CDZAFCDHEMLTTF-RAJOGRCSSA-N 414.462 1.367 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 1453388804 ICEOPXRFVVYEMY-WDEREUQCSA-N 407.439 1.491 30 10 HDEE CCOC(=O)[C@H](CCCC(C)C)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1460750345 QVYMECBZZPGMBX-KRWDZBQOSA-N 419.526 1.851 30 10 HDEE CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 1462781315 GLYZVTVGTCRDHN-IBGZPJMESA-N 400.504 1.663 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1468875873 RKLGIECRRNPDCS-CQSZACIVSA-N 412.446 1.325 30 10 HDEE CCOC(=O)N1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1472618083 LQBUBFUHKNFSRZ-UHFFFAOYSA-N 403.435 1.759 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)CC2)cn1 1478163651 HGZZATMQPHTKJJ-UHFFFAOYSA-N 411.487 1.315 30 10 HDEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1499523778 FPVFJLPZDOAJTE-YLJYHZDGSA-N 415.519 1.745 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CCO1 1503771657 JHCFOSVNCXNAFT-ZTFGCOKTSA-N 410.478 1.193 30 10 HDEE CS(=O)(=O)CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)C1CC1 1505133286 JMYKRHCEMQMOSX-MRXNPFEDSA-N 405.480 1.656 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507636145 ZIWVPAZCICYIHM-FUHWJXTLSA-N 405.568 1.342 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)NC(C)C 1507670891 AQHGFJKDDMQUPH-UHFFFAOYSA-N 414.535 1.055 30 10 HDEE C#CCN(CC)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507692134 NYVXOHVHORWFCB-ROUUACIJSA-N 405.568 1.894 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1c(CC)nn(C)c1OC 1507707883 ACVXTFSWHYUHPJ-UHFFFAOYSA-N 409.494 1.779 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1507752536 AFJQPBMAKGBVJY-WBVHZDCISA-N 403.552 1.771 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1507836375 JAFIPADLBVXNDN-UWJYYQICSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1508077769 QSTGZVDDNAYVAN-MRXNPFEDSA-N 412.494 1.740 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C1CC1 1508084952 DIXHVTFJUMLDHQ-QGZVFWFLSA-N 412.469 1.840 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1508154659 ZQCAUBPJKIMVOY-UHFFFAOYSA-N 404.540 1.498 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1508421788 DDIBHMYKBALHIV-RDJZCZTQSA-N 402.524 1.827 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1515097657 VEWQQGLRSHNRQC-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)(F)C1 1517629290 VSVXYTPWLSVUBM-UHFFFAOYSA-N 424.477 1.847 30 10 HDEE COc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1518143987 AQJZDMHLRDEXOG-QFIPXVFZSA-N 424.505 1.943 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCOCC(F)F)c1 1521069340 IXWPSHSUSVRYQW-CVEARBPZSA-N 416.432 1.813 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCCCCO)cc1 1521095841 RDOZDHRFDNTQTJ-FQEVSTJZSA-N 410.522 1.890 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1525356744 RFTPWUKNMMEHNN-NRFANRHFSA-N 418.563 1.536 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753880 QCNIHXUREKTQSQ-ABAIWWIYSA-N 402.252 1.917 30 10 HDEE COc1cc(NC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)c(F)cc1C#N 1530181279 DHLBAUCFNXWPML-UHFFFAOYSA-N 402.407 1.725 30 10 HDEE Cn1ccnc1[C@H]1N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1(C)C 1533674487 ZSCYSSJDCXFWNT-MRXNPFEDSA-N 401.492 1.835 30 10 HDEE COC1(C(=O)N[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)CS(=O)(=O)C1 1535748084 AWNKEBFXJGXKDF-SFHVURJKSA-N 400.456 1.760 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@]2(C#N)CCCOC2)CC1 1536906322 VNGXSADXKAODRR-QFIPXVFZSA-N 420.554 1.700 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc1 1538308614 MJVCAXIWUUSOMY-DJJJIMSYSA-N 420.491 1.368 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)N1CCOCC1 1539024907 BDZAYOKKSLKTIW-ROUUACIJSA-N 402.543 1.215 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539221342 NYFLEVDDAGXHLS-ULQDDVLXSA-N 410.540 1.571 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1539224491 HLXRMERHEOGUAY-INIZCTEOSA-N 417.535 1.764 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N(C)CC 1539306081 BVHKXNBRMACXFO-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1539375663 DVXZUHFHAGQHQX-UHFFFAOYSA-N 423.564 1.033 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)C1CCCCC1 1539413789 NZPMZKHLKPONJR-UTKZUKDTSA-N 403.527 1.647 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1539668773 FJUHLXCSWRLRHM-OAHLLOKOSA-N 407.544 1.344 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1540039863 IIULCTKZKCWYGN-QGZVFWFLSA-N 415.498 1.373 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1540857448 XYCBHBUVMFFQPH-KRWDZBQOSA-N 410.478 1.874 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)OC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540876133 INPMDVWIIRFENU-MGPUTAFESA-N 407.515 1.236 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2occc2C)C1 1540882552 KJWTXXKSMYGKOC-HUUCEWRRSA-N 409.512 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C1[C@H]2CCC[C@H]12 1540907225 PEGTXVHSFZRATK-IRXDYDNUSA-N 418.567 1.975 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(N)=O)C1 1540913074 HKMKTXRMHYFSRO-GFCCVEGCSA-N 404.496 1.237 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(C)C 1542932492 SCFIFHWYMSKPBL-SFHVURJKSA-N 422.570 1.881 30 10 HDEE COc1ccnc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543121135 GQYNPAWJQSKKLO-UHFFFAOYSA-N 416.459 1.117 30 10 HDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1=O 1555597055 GUHUEXQBDDMJDO-YJBOKZPZSA-N 410.478 1.605 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCO)CC2)nc1 1555990498 DOCXEKPBJBMYFG-GOSISDBHSA-N 411.510 1.538 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)c(OC)c1 1559448591 HVXRMUXPKNFUPA-QGZVFWFLSA-N 412.446 1.108 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)c(Cl)cc2F)nn1 1561675090 BLYLREBJMVHQDX-UHFFFAOYSA-N 402.835 1.912 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)N(CC)CC)CC3)cc2n1 1563302005 RRRPNNUGDOFCAK-UHFFFAOYSA-N 420.539 1.958 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cc(S(N)(=O)=O)ccc2O)CC1 1566778120 URCVGRZCHILQBX-UHFFFAOYSA-N 423.491 1.629 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1569909680 HMQQYEVLQZYINT-YSCDGHNMSA-N 400.523 1.237 30 10 HDEE C#CC[C@@H](NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1570221219 IKKUXTJBHDLQDJ-CQSZACIVSA-N 421.247 1.506 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(F)c2O)CC1 1585000318 XDTVUUGFQLFWOM-UHFFFAOYSA-N 412.259 1.191 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1CCCO 1587568347 PDRKDYIAKAZHKU-WAOWUJCRSA-N 405.543 1.235 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1588659529 KOOYLUBMVRJCPT-GOSISDBHSA-N 405.506 1.809 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1589216883 ZXYHWURKMASFED-LLGFUMIMSA-N 401.511 1.269 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c1 1593617147 KZBNIUDVDGIULZ-AWEZNQCLSA-N 410.467 1.829 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593625378 TUKBHZXXXAWLBY-GJZGRUSLSA-N 412.498 1.203 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1594491972 PUWQEWACGJLVDV-HNNXBMFYSA-N 404.515 1.127 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1594560241 ZTMWWAKOXASEJM-OAHLLOKOSA-N 407.544 1.540 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1594761114 VAKSUKBDWOQNTJ-LSDHHAIUSA-N 414.535 1.951 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595399399 YBVLRZPJLHKTBL-KRWDZBQOSA-N 413.526 1.738 30 10 HDEE CNC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1595609673 AYRHUPVKAANULZ-UONOGXRCSA-N 403.870 1.485 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595799059 WOKJKGSXQHYKFK-BRWVUGGUSA-N 409.556 1.056 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2nc(O)c(C#N)cc2C)CC1 1607437929 SDEMYVKUWLVKLO-LJQANCHMSA-N 421.501 1.473 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1611285917 BADRESRCBZYIML-LLVKDONJSA-N 419.291 1.851 30 10 HDEE C#C[C@](C)(CC)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1618047358 AUDBJUBUEIKBTO-GOSISDBHSA-N 413.927 1.691 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1618070889 GRWDCRXTXPXDPW-MNOVXSKESA-N 401.282 1.734 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1619723784 SWGRHTDBENWTLP-JTSKRJEESA-N 424.505 1.680 30 10 HDEE Cn1ncc2c1CCCN(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1629872458 ALTFMXSKZCJOOR-KRWDZBQOSA-N 406.446 1.472 30 10 HDEE Cc1nc(=NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n(-c2ccccc2)[nH]1 1630602944 XRZARYMOVSVHSK-UHFFFAOYSA-N 410.459 1.360 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1630966750 UELGRYUMSHQRDA-LJQANCHMSA-N 404.492 1.163 30 10 HDEE COc1ccc([C@@H](CO)N(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1631748358 DASCUUQXPHJZTL-GOSISDBHSA-N 403.460 1.037 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc(F)cc1 1632218945 OUSXRFRDPCNUGU-SFHVURJKSA-N 405.451 1.558 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634187508 AEIZBRZOMFHGPM-AEFFLSMTSA-N 412.494 1.499 30 10 HDEE COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)CO)c1 1636604745 CCBDCTMHDPOZNU-CYBMUJFWSA-N 409.851 1.764 30 10 HDEE CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1637823748 DBJICUNPMFOOMO-MLGOLLRUSA-N 412.439 1.354 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1637976238 OOBGTDBRAMLZOL-RTWAWAEBSA-N 415.538 1.030 30 10 HDEE COC(=O)N1CC(C)(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1638357874 IWNBZTZACDOOFM-UHFFFAOYSA-N 422.507 1.242 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOCC12CCCC2 1640728041 XYRCRMVJNOPGRI-QGZVFWFLSA-N 405.520 1.971 30 10 HDEE N#CCCCn1cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c2ccccc21 1643615987 DIWWPPHPYWHLHY-HXUWFJFHSA-N 401.488 1.975 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)COc2c(C#N)cccc2C(C)=O)ccc1C 1644183627 KGFLYATWYVBYCN-UHFFFAOYSA-N 401.444 1.995 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCC(n2nncc2I)CC1 1645449250 OKXQCXLHHMOFRO-UHFFFAOYSA-N 410.219 1.570 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c1C#N 1645674499 WTBMKAYPWKRQKP-OAQYLSRUSA-N 416.547 1.898 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C(=O)CC#N)CC2)n(-c2ccccc2)c1C 1645713791 PHJNETBRUQZRBC-UHFFFAOYSA-N 404.474 1.962 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 1646589079 CJWJJMJNVZTDMP-IEBWSBKVSA-N 418.542 1.085 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 1646589080 CJWJJMJNVZTDMP-MJGOQNOKSA-N 418.542 1.085 30 10 HDEE Cn1cc([C@@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)nn1 1647869043 XOTHXPMHDMATRV-CQSZACIVSA-N 416.507 1.040 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)c1 1648074067 BALFDMXUOVQCIV-INIZCTEOSA-N 421.515 1.962 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCn3ncc(I)c3C2)cc1 1652510532 RBNYMGNRILBCTC-UHFFFAOYSA-N 407.215 1.814 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC2(c3cccc(C#N)c3)CCOCC2)CC1 1655100359 IHIXCPVMQWAZEP-OAQYLSRUSA-N 409.534 1.846 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(CO)(CO)C2)n(-c2cccc(F)c2)c1C 1659417358 LOWJUECLITWSRB-UHFFFAOYSA-N 400.454 1.720 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C1CCOCC1 1664579836 JJEJRPBJOMZQEZ-CYBMUJFWSA-N 419.272 1.394 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])nn1 1669875423 WFIZQZWKWDUIAU-UHFFFAOYSA-N 420.220 1.752 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1684477165 STCMGQYMWAWUGW-CALCHBBNSA-N 405.499 1.730 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CC=C(c2ccc(C#N)cc2)CC1 1687643604 YAAJGORVFZHRHP-UHFFFAOYSA-N 410.521 1.414 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689885905 ZCQKOVSGVFCECS-OAHLLOKOSA-N 420.481 1.071 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1689913637 RWQWSDSNUCPRAP-GDBMZVCRSA-N 405.528 1.377 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1689937023 LZTNNXPCGFIYFS-UHFFFAOYSA-N 418.501 1.870 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1689961289 RREVYHQEHSFXDT-QFIPXVFZSA-N 422.489 1.286 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCOC1 1690076828 BXVPGARHBFRXIM-IAGOWNOFSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(F)c(F)c2)CC1 1690110718 XFNCGBHBTDGDKG-UHFFFAOYSA-N 402.449 1.498 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690154728 XTYIJJSPISLRSI-HXUWFJFHSA-N 420.583 1.525 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1690603800 IMJKOSYQXRDBQU-MSOLQXFVSA-N 408.506 1.743 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1690659004 GRHDEYASBXJSDP-MRXNPFEDSA-N 414.514 1.065 30 10 HDEE CC(C)CCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692328137 VZSQWMAHBKARIA-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC(=O)N(C)C 1692502230 GUSWLNNEVSKINA-UHFFFAOYSA-N 423.521 1.935 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCNC(=O)C(C)C 1692521105 PVNYEWGMZWQXRP-UHFFFAOYSA-N 403.531 1.709 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1693340410 AHGOLGRIKCYXFK-FZMZJTMJSA-N 416.511 1.218 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1695966969 CMJFOLNFDIGWBY-CQSZACIVSA-N 400.439 1.573 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSCC1 1696501168 AHQXNBIHXULMCR-UHFFFAOYSA-N 406.537 1.309 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705561090 PXOUJALTZZVCJO-KRWDZBQOSA-N 402.520 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCCn1cnnn1 1705574797 NNPWBDSXQVTUBZ-UHFFFAOYSA-N 400.490 1.898 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705587875 MVGFGVZHIGMGGQ-HXUWFJFHSA-N 421.501 1.718 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCCC 1705622350 GEFGULHQDAESPU-UHFFFAOYSA-N 423.315 1.648 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@H]2CCOC2)CC1 1705638170 BAIWCOMSQDGFGW-HXUWFJFHSA-N 424.549 1.847 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)c2ncc(C)s2)CC1 1705638419 KHEVLUWGNGNCOI-ZBFHGGJFSA-N 413.551 1.553 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2OC(C)C)CC1 1705638431 KYHUOHSXZURBRZ-IBGZPJMESA-N 422.533 1.820 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCO1 1705651688 FSVVOIZPHJOKSA-OAHLLOKOSA-N 400.508 1.907 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705681629 ZEGWZWQYTVZTKW-USWWRNFRSA-N 422.349 1.004 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705805775 OBDJQQPYNMTCSW-HLIPFELVSA-N 424.567 1.921 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1706746473 BGAZQXVLNZKMIW-BZUAXINKSA-N 424.527 1.042 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1708663970 DCGRKCKEGWIUIR-RTBURBONSA-N 424.505 1.408 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1709488508 CHRWZRLVLVMRES-NFPAXOPASA-N 415.498 1.380 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1712565149 BQRHVLUJCDWSAH-COEMCCDRSA-N 413.544 1.278 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722350077 KXYANAPCACPKNI-HNNXBMFYSA-N 404.482 1.305 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N1CCSCC1 1722350315 UWYHWBSXLHCQIW-UHFFFAOYSA-N 420.564 1.097 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722359191 IYHBQBVLOVGDQH-ZBFHGGJFSA-N 406.508 1.756 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1 1722382504 HTGINVLFKYZYCU-GOSISDBHSA-N 412.515 1.640 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N(C)C 1722390008 NVEBUZHQMCKKKW-QGZVFWFLSA-N 413.547 1.762 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722412347 YIELIVSCGMTICB-INIZCTEOSA-N 403.508 1.132 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1722434205 MXCQBKLTYGMQHP-GOSISDBHSA-N 424.530 1.007 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722458907 WVAYZLAWBQTJOQ-WBVHZDCISA-N 413.551 1.398 30 10 HDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccccc1 1722540073 ARZOHGFMVRXGDY-ZWKOTPCHSA-N 408.506 1.905 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccn(C)n2)CC1 1722581693 KRGJDFHTPOKUQW-MRXNPFEDSA-N 404.540 1.559 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)CC1 1722583708 TZPYHLUYFVZEJI-ZWKOTPCHSA-N 407.584 1.923 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1722675240 YMKNBHWEFATZME-UHFFFAOYSA-N 412.494 1.300 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(OC)c(C)cc2C1 1722699097 RHISOZAVYUXFKK-KRWDZBQOSA-N 411.506 1.964 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Nc2cccnn2)CC1 1722726707 AVQWOXRWBWELHM-UHFFFAOYSA-N 405.528 1.312 30 10 HDEE C[C@H](Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1723854111 CMPOBYAQEGMLBY-QGZVFWFLSA-N 415.542 1.251 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)cc1 1724409912 BZCVMVLMXQIIFL-MRXNPFEDSA-N 422.493 1.915 30 10 HDEE CCN(CC)C[C@@H]1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1728408960 KHTSWAYIEQSYLK-RUNIHZNKSA-N 401.515 1.281 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1730818608 GTCXIARXLVGPAT-BZUAXINKSA-N 413.544 1.423 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740559201 YQNWVKZAZLDJHX-HUUCEWRRSA-N 404.515 1.772 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740616643 DSCFLDCEGBBLPZ-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740622825 JBGRZRUZCHOBTL-SJLPKXTDSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCCc1ccccc1 1740640074 YVBRVCSGUFAOGH-HXUWFJFHSA-N 405.502 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1740656492 KGFACUPGISCCAJ-IRXDYDNUSA-N 419.551 1.120 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1740664006 XTRBVNBOBCRZFA-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1740666276 JMOUDEJOZUMBQB-UHFFFAOYSA-N 424.505 1.297 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOC(C)C)CC1 1740692571 LXWAWICXVGDXIQ-NRFANRHFSA-N 405.543 1.499 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1740722208 FVKMMYIKQPELEO-CYBMUJFWSA-N 419.473 1.686 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCOC[C@H]1CCCO1 1740724230 ZCGYBLMMRCLYLD-DYESRHJHSA-N 403.527 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1740725771 UOVSLGZJIIUWHB-OXJNMPFZSA-N 417.535 1.959 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1740731084 OSVHYSKCTRMXRQ-PFRQMTDMSA-N 422.551 1.224 30 10 HDEE C=C(Br)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740748275 CQWKUDJJMANYAF-MLGOLLRUSA-N 414.304 1.150 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1740835681 JNCNUMXNNOCBEA-PXNSSMCTSA-N 424.567 1.767 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740886404 GFBQGXGGYFQMQZ-NRFANRHFSA-N 416.526 1.638 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1741982709 AAYDYAQCJWNPKY-XOBRGWDASA-N 401.515 1.664 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H]2CCCO2)c1 1748692879 QUCWUKMPGMCURL-SFHVURJKSA-N 417.473 1.970 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1748745787 SBQCBWSNFGALNF-UHFFFAOYSA-N 418.567 1.995 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748824705 RSFZQLLRIQSUGO-BXWFABGCSA-N 412.556 1.238 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCOCC1 1748855972 NURJSOWZFCOKAH-NRFANRHFSA-N 423.565 1.569 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCCC1 1748948549 QYVPNAORNNKLGH-GOSISDBHSA-N 402.543 1.332 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCO[C@@H]2CCOC2)CC1 1749004409 IJVNQDPGQQTRPE-IEBWSBKVSA-N 417.554 1.953 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749246856 HXTMWYGEIYFXOY-CYBMUJFWSA-N 407.862 1.536 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1749500103 VQRWBOBGCQFILJ-HXUWFJFHSA-N 414.535 1.903 30 10 HDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1749512890 DGVUOCLGNPSLNV-JOCHJYFZSA-N 410.522 1.746 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C1CCCCC1 1749669170 HXXHOYZRYSPUTF-HNNXBMFYSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749670330 PXJBWJWSZLHALI-DLBZAZTESA-N 416.526 1.413 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1C(C)(C)C 1749682568 VNBGFQALEBEJJF-MRXNPFEDSA-N 404.559 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749732140 QMJTWYLFVXGATF-INIZCTEOSA-N 423.583 1.446 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CCO1 1750018388 RSNKBJIBUXNGMF-QGZVFWFLSA-N 409.450 1.138 30 10 HDEE CC(C)Cc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(C#N)o1 1750734534 QDEJNAYLYVJVAG-UHFFFAOYSA-N 411.466 1.510 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1750899639 FLUZAPBHLSJIGQ-HSZRJFAPSA-N 423.565 1.804 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCC(=O)N(C)C)CCOC1 1751006803 KJJHDVKWYBRYLZ-OXJNMPFZSA-N 406.531 1.925 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cs1 1751763795 PGNDXDMIOIVWES-TZMCWYRMSA-N 408.553 1.664 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cs1 1751775815 GEKPBMKLEYNFOS-VQTJNVASSA-N 415.567 1.831 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1oc(CC)nc1C 1760201948 OHNFCIOZYVRJKH-UHFFFAOYSA-N 406.446 1.986 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC[C@H]1COCCO1 1760211010 YXIZSIGYGOBEQM-FQEVSTJZSA-N 410.474 1.744 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1760220355 GTSXGZVQQIODFM-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCC(=O)N1CCOCC1 1760289232 MYJKOEIOYMHNNO-DYESRHJHSA-N 419.526 1.243 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760518880 KUSRKDNIYIISCQ-IERDGZPVSA-N 415.494 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760522719 CCFSQKJKKLNCJO-UHFFFAOYSA-N 414.514 1.159 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCO[C@@H]2C)C1 1760537829 QPPQEFVJCWAFBP-DGQTTZFYSA-N 422.526 1.251 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF 1761467297 YEAQJSRSEKSJPZ-UHOFOFEASA-N 406.487 1.927 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1761544925 NGCJWRVKYLPGGH-HRAATJIYSA-N 409.494 1.844 30 10 HDEE CCc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763023081 WTZFVKWSEOFUMN-XACUDEJRSA-N 400.483 1.372 30 10 HDEE CCCNC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1764584665 SVACGMVWZKSYFT-OALUTQOASA-N 408.478 1.287 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1)[C@H]1CCOC1 1768575713 CPDFQRTYSWUTJU-KRWDZBQOSA-N 410.478 1.480 30 10 HDEE COc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC#N)c1 1768758123 CJSQTSABSLPEAH-OAHLLOKOSA-N 422.493 1.856 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1(C)C 1769089498 CJGBYABKMMXKFJ-PGRDOPGGSA-N 410.522 1.745 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)C1 1770317390 NCASFWMPUWCWQT-MSOLQXFVSA-N 413.503 1.785 30 10 HDEE COCCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1=O 1771146131 VYIQKPLQJOQFLV-UHFFFAOYSA-N 400.483 1.675 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c1F 1851235619 QKTRSVRFGBEPSP-QGZVFWFLSA-N 413.380 1.961 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O 1853828435 MDJCTHABAPRPBT-CABCVRRESA-N 424.423 1.950 30 10 HDEE C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854813998 LZKREGBQFUJCCI-HUUCEWRRSA-N 415.471 1.520 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[C@@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1854860913 XXEBFDOKHNRMIL-GCJKJVERSA-N 414.481 1.890 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1Br 1854898531 DXDPLYYHMYHIOA-SNVBAGLBSA-N 400.254 1.111 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C(F)(F)F)nc2)CCN1S(=O)(=O)CC#N 1856045985 LSMNCRGKRFBLKJ-UHFFFAOYSA-N 404.370 1.017 30 10 HDEE COCC(=O)N1CCCC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1856194721 PBQUGEVOBQKNFU-GOSISDBHSA-N 400.479 1.598 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CSc3ccccc3OC)OCC2=O)CC1=O 1856201666 QZWODENAAHAAQQ-CABCVRRESA-N 404.488 1.576 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(OC)c(F)c3)[C@@H](C)C2=O)CC1=O 1856303722 INWMJPQLUVRQAL-GOEBONIOSA-N 403.454 1.428 30 10 HDEE Cn1ccc(C(=O)N2C[C@H](CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)n1 1856620143 SZMMITKVORBZNL-KRWDZBQOSA-N 407.474 1.824 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1=O)[C@@H]1CCN(C)C1=O 1856723808 XBQTXLWLSOJGHS-JKSUJKDBSA-N 415.519 1.175 30 10 HDEE C[C@H]1CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1856987927 CJIKAMQIVISDQW-MAUKXSAKSA-N 403.504 1.127 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)COc3ccccc3F)C2=O)C1 1857114965 YFONCQQZUGBEAR-KRWDZBQOSA-N 410.405 1.362 30 10 HDEE CN1CCC[C@@H](C(=O)Nc2nnc(CCC(=O)Nc3ccc(C#N)cc3)c(O)n2)C1 1859093633 OPONQSQOWFJTEJ-CQSZACIVSA-N 409.450 1.300 30 10 HDEE N#Cc1cccc(C(=O)Oc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c1 1865745146 YLUGDPPTZVJLTK-CQSZACIVSA-N 403.350 1.179 30 10 HDEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560590 CIXNIUDKXMMALT-FQEVSTJZSA-N 408.502 1.757 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707565 YKVNCSWUMIXPSA-UHFFFAOYSA-N 415.454 1.182 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCC[C@H]3C#CCN(C)C)C2)cc1 1890892797 BICGGPSIEHMJEL-VQTJNVASSA-N 417.575 1.952 30 10 HDEE COc1ccc(N2C[C@H](NS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1OC 1891354324 HTNGKJMLQYHBCD-CQSZACIVSA-N 401.444 1.659 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)c1 1892375953 KKWRYWWPUAARTH-UHFFFAOYSA-N 418.453 1.708 30 10 HDEE C#CCN(CC(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1985009251 NHPHDEONHVHIOW-HSZRJFAPSA-N 415.534 2.000 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985097080 AFFGOGJBJXRJKB-VQJWOFKYSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@@H]2C#N)CCN(Cc2ccccc2)C1 1985193645 FSCWGUZDZVNUFC-PGRDOPGGSA-N 414.506 1.907 30 10 HDEE C=C(Br)CS(=O)(=O)NCc1c(Br)nnn1CCC 2038829560 JWWAFNDYSIEJPF-UHFFFAOYSA-N 402.112 1.779 30 10 HDEE C[C@@H](C#N)OCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074664727 BYJGBFCLYYDPCE-DZGCQCFKSA-N 412.464 1.488 30 10 HDEE C=CCC1(NS(=O)(=O)N(C)CC(=O)OC)CCN(C(=O)OC(C)(C)C)CC1 2162442811 OBCOPHYPYLPMTN-UHFFFAOYSA-N 405.517 1.271 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2217455133 BXCKGDNXSWAJCA-OAHLLOKOSA-N 419.331 1.799 30 10 HDEE CON(CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247914182 HFVHJSJRKPZVHQ-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCNC(=O)OC(C)(C)C)n1 2247916640 BLDKWVOLIYINKV-UHFFFAOYSA-N 424.307 1.388 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2248441344 LNCXNIOLLOUQJX-CVEARBPZSA-N 422.331 1.915 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2cc[nH]n2)n1 2255840088 IDCQBQGIIZKIGQ-UHFFFAOYSA-N 422.298 1.680 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267374187 NXLBKWRIXMPQMS-QWRGUYRKSA-N 405.372 1.456 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267565693 RAIATSVCQOWZDD-SECBINFHSA-N 407.750 1.864 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CO[C@@H](CN)C3)sc2Cl)OC1(C)C 2281960178 VWQZZKGEVOIKHN-WDEREUQCSA-N 400.737 1.794 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282014045 DONUVGUYHQTAIJ-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CCc1nc(C(=O)NCCCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031505 SWQDGGHWJDVALZ-UHFFFAOYSA-N 402.347 1.169 30 10 HDEE COC(=O)C(C)(C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282317642 UNECMDSGTQLKBQ-UHFFFAOYSA-N 403.331 1.586 30 10 HDEE CCCN([C@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282334335 ZYKQDYCJWKCXJT-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN1CC(CCNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282408457 IGOYYOBHSQUJPI-UHFFFAOYSA-N 420.793 1.931 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282492869 QSEGXZAYCVMSIC-OCCSQVGLSA-N 401.359 1.580 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCCN2CCSC[C@@H]12)B1OC(C)(C)C(C)(C)O1 2282501042 RHJNNFUPKWIIBJ-GJZGRUSLSA-N 402.391 1.673 30 10 HDEE C[C@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501277 VHWNJLKFSDEEOR-DGCLKSJQSA-N 402.347 1.381 30 10 HDEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C1CC(S(C)(=O)=O)C1 2282526890 VXGAZLFADXXWRM-UHFFFAOYSA-N 400.331 1.090 30 10 HDEE C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282845373 RJXAAZCHVOAFIR-SECBINFHSA-N 420.749 1.210 30 10 HDEE CC1(C)[C@@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282862268 ZYBMWDJFRGDIOH-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)c1nc(Br)nn1CCOC 2308010932 RDZWSGZNCPLNGV-SNVBAGLBSA-N 401.261 1.786 30 10 HDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 2329056107 POGRIYUBRMRSJE-HNNXBMFYSA-N 403.508 1.978 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2365212291 QZESGEJSUIOIKU-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2367798914 VOHYXJALUCMUGD-HNAYVOBHSA-N 400.541 1.571 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 2367805332 ALMDYPCQICZJHC-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)C2(S(C)(=O)=O)CC2)OC1(C)C 2369894498 IIWQJCFJOCZKGI-UHFFFAOYSA-N 419.761 1.894 30 10 HDEE CC(C)[C@H]1C[C@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2370841753 GEJUDOQCBZTCQK-GXTWGEPZSA-N 401.359 1.827 30 10 HDEE CCOc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c1 14042118 JEUDRUOCGJZDBV-UHFFFAOYSA-N 421.504 1.174 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1 230150135 URFDEDURMYRKTK-CTNGQTDRSA-N 422.522 1.048 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409824954 VTXGAVRXYYQQEE-ZDUSSCGKSA-N 403.284 1.818 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)n1cnc(C#N)n1 409918064 FMMPEVJXFCHUOD-HIFRSBDPSA-N 410.482 1.969 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 443479849 ZBFCRXYWJULVJY-SNVBAGLBSA-N 407.311 1.376 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 468926028 KNOCFYLPYCYDHR-OAHLLOKOSA-N 404.898 1.814 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(N4C(=O)CNC4=O)c3)cc2C1=O 478344863 PYYKCDAWKDJKEY-UHFFFAOYSA-N 422.372 1.916 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484360 GRGLBQCSIBIGKO-VLIAUNLRSA-N 408.506 1.940 30 10 HDEE Cc1ncc(S(=O)(=O)N(CCO)Cc2cnn(Cc3ccccc3)c2)cc1C#N 489464081 OEZGCQDWXJFWTC-UHFFFAOYSA-N 411.487 1.690 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 508466603 VFWJUPYCIGPFLZ-SFHVURJKSA-N 413.478 1.523 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 508472317 JRJFLPPTXZEGBB-QRVBRYPASA-N 404.559 1.547 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 514440100 QXJCHZDMVLLYBW-UHFFFAOYSA-N 412.538 1.820 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC3(CC2)C[C@H]3C(=O)N2CCCCC2)cc1 537851357 JUJPYMYNPYYHTQ-IBGZPJMESA-N 408.502 1.929 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@@H](CC(N)=O)C1CCOCC1 543489575 CGHYYTAQTDENAT-WBVHZDCISA-N 402.495 1.591 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1F 557863625 NFFPHKXFQHORKK-AWEZNQCLSA-N 409.464 1.439 30 10 HDEE CCCCS(=O)(=O)OC1CCC(NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 586508973 ULZDITAYMGRAHD-UHFFFAOYSA-N 422.503 1.857 30 10 HDEE Cc1ccc(NC(=O)C2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)nc1 586862244 OVPMMPIJKVOYQB-UHFFFAOYSA-N 423.448 1.894 30 10 HDEE Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 609536097 JDZRLIQCDMGPKN-UHFFFAOYSA-N 412.515 1.489 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 610150518 PNOKHYHCDXQQEG-UHFFFAOYSA-N 419.482 1.675 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1=O 611973756 LBZJDJWYMZQQLI-RBUKOAKNSA-N 406.490 1.568 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCc3nn(Cc4cccc(F)c4)c(=O)n32)CC1 675012557 OEJSMDONPLAANW-LJQANCHMSA-N 413.497 1.830 30 10 HDEE OC[C@@H]1CC(F)(F)CN1c1cc(C(F)(F)F)nc(N2CC(F)(F)C[C@@H]2CO)n1 681997588 XFEPYQIYAOVRAP-DTWKUNHWSA-N 418.313 1.908 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669405 OZGARLFQKUOUTL-UHFFFAOYSA-N 419.510 1.454 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CC1 732647719 KTEZJDNWQDYQOZ-KGLIPLIRSA-N 403.464 1.460 30 10 HDEE CCC(CC)S(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733859096 BFHHKANATCHHRN-HNNXBMFYSA-N 406.464 1.398 30 10 HDEE C=CCc1cc(C(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])nc2)cc(OC)c1OC 750757320 ICUYSRSTNYYOMN-UHFFFAOYSA-N 407.404 1.854 30 10 HDEE CS(=O)(=O)[C@@H]1CC[C@@H](OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 752215688 UDKHPRAISYDDEO-BZUAXINKSA-N 419.459 1.272 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)C1CCCC1 757177021 HNTQFTUQRQHQQH-UHFFFAOYSA-N 417.531 1.557 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766770532 XOUUYWHWPMGISU-MRXNPFEDSA-N 403.435 1.590 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 774253248 SKXDDFCMRKEOGH-HKUYNNGSSA-N 420.531 1.742 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 774833897 FPUKWEDYSRLEHA-UHFFFAOYSA-N 403.508 1.215 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)s1 780208112 ZMUVKYXXKNKTRV-QGZVFWFLSA-N 422.484 1.171 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)n1 788533872 NCLUZUPRBOMFAI-UHFFFAOYSA-N 424.461 1.249 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)C1 793152293 GWXZORLZHYYYHB-MDOVXXIYSA-N 408.499 1.725 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C3CC3)c2=O)cn1 794608646 LDKLVRHGJXDYFG-HNNXBMFYSA-N 412.515 1.350 30 10 HDEE N#C[C@H]1C(CN2CCN(CC(F)(F)F)C(=O)C2)=CC(=O)n2c1nc1ccccc12 796560377 ANCUEHZXJRIJID-ZDUSSCGKSA-N 403.364 1.930 30 10 HDEE CC(=NNc1nc2ccccn2n1)c1ccc(Br)c(S(N)(=O)=O)c1 797403696 VVTNFMBQJLRJBX-UHFFFAOYSA-N 409.269 1.975 30 10 HDEE C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cnc(C#N)n1 798398363 UVCNTNPYUDJZER-LBPRGKRZSA-N 408.384 1.883 30 10 HDEE C=CCNC(=O)CN1CCN(CC2CCN(C(=O)OCc3ccccc3)CC2)CC1 799105345 URWBSOYJJYBAFL-UHFFFAOYSA-N 414.550 1.955 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(CC)CC)c1 803697535 ITTDWZIWFMTOOS-UHFFFAOYSA-N 404.488 1.862 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCC2=O)cc1 916713091 OCBJBMSEGQEFED-XLNRJJMWSA-N 421.523 1.633 30 10 HDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1 917798130 MWTQNFNPWWWYQG-UHFFFAOYSA-N 412.430 1.584 30 10 HDEE N#C[C@]12CN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1134429038 LZLBTXUVKXNRFF-IFXJQAMLSA-N 419.503 1.812 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)s1 1138880641 LKPCHSLUNVBZEX-DYVFJYSZSA-N 400.522 1.161 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(COCCO)cc3)C2=O)cc1 1142701632 BGNATNPJHPXHSP-IBGZPJMESA-N 422.441 1.911 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1OCC)C(=O)OC 1155779711 UDANLEAHCUCADY-DLBZAZTESA-N 404.463 1.550 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C2 1158216556 ZDZOGMGHBQGMQR-UHFFFAOYSA-N 410.908 1.719 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3ccsc3S(N)(=O)=O)CC2)c1 1164154984 HLXJTNZEAJHGCS-UHFFFAOYSA-N 404.517 1.662 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)c1 1164154989 HTHRKVMBSNOZMO-SFHVURJKSA-N 410.440 1.902 30 10 HDEE C#CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1170249591 XDIHWHYVDHQEJO-CYBMUJFWSA-N 401.941 1.332 30 10 HDEE COC(=O)C1(C#N)CCN([C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 1194385849 UDUZWINAJFKSSR-INIZCTEOSA-N 400.479 1.629 30 10 HDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)CCOC1 1196262443 DHXNVUZPYATSKV-IBGZPJMESA-N 406.508 1.125 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 1251707757 FNCOFAVRAYFFIM-UHFFFAOYSA-N 407.312 1.482 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1)C1CCOCC1 1253348611 RPHYPXGTGSQJNH-SFHVURJKSA-N 402.470 1.520 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1253779024 IHPZLZFQZCJFOB-IRXDYDNUSA-N 422.526 1.278 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1253779515 PRLXZVGTEVMXSQ-HZPDHXFCSA-N 423.510 1.657 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3(C4(O)CCOCC4)CC3)CC2)c(F)c1 1255648977 LSWZPDKCNQVGEO-UHFFFAOYSA-N 402.470 1.851 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3ncccc3S(C)(=O)=O)CC2)o1 1256354604 NHCZWAOZFYIERJ-UHFFFAOYSA-N 403.464 1.186 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1286301734 HKPWULTYFGKWNW-HNNXBMFYSA-N 406.556 1.811 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1286409017 HSUNYLLDYFSKSJ-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1OC 1286772409 CWGRRMHVGQGSKI-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(CCNC(C)=O)Cc1ccsc1 1286776584 JXJZGLFTSUMUHA-UHFFFAOYSA-N 402.524 1.791 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(F)(F)CO2)C1 1286813005 VUJPKHYDRIWKEH-CABCVRRESA-N 411.453 1.606 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286828404 MHIJIKRMAKMWAF-MRXNPFEDSA-N 412.523 1.756 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1286918531 OSSWWYYLAGYRAQ-QFIPXVFZSA-N 421.505 1.400 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1286983083 VKOITIHWYCRWQP-UONOGXRCSA-N 403.508 1.599 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1289086244 ZKDXFRXPIOXEHP-DZGCQCFKSA-N 413.482 1.547 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2C(=O)CSC2=O)C1 1291823993 TZDVVBCTKTXPJA-UHFFFAOYSA-N 423.292 1.569 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C#N)o2)C1 1296326843 NFAQGUWOVNPXKE-CJNGLKHVSA-N 406.512 1.823 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1299455358 ARODZASUTZUPMN-KKSFZXQISA-N 407.511 1.343 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)C1 1300020831 NMKSXCSSDKHPRZ-OWCLPIDISA-N 415.437 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300320671 HIUYSRDKZQUPCG-BZSNNMDCSA-N 402.543 1.358 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)CC)c1 1300333910 FWEZVTHXJTXOOW-JTSKRJEESA-N 411.506 1.999 30 10 HDEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300386987 XPWAJWSHAQPNBY-INIZCTEOSA-N 412.881 1.159 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCO[C@H]1C 1300475450 KCMJYVASTASUIS-KKSFZXQISA-N 400.479 1.865 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300485201 UYJRONGVNXAHDP-CABCVRRESA-N 421.567 1.117 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1300491733 IHZZLDZLCMJWOQ-ZMSDIMECSA-N 403.483 1.806 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCCn1cnnn1 1300654595 AFWZETZKKLGKBI-UHFFFAOYSA-N 417.477 1.656 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CC[C@H](CO)O1 1300673591 QWXTUVDXIOUGTP-JKSUJKDBSA-N 420.460 1.773 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1=O 1300779619 ZJSJSIXQOQWZDB-JOCHJYFZSA-N 412.538 1.909 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1301272256 DULRJZHTTMXQCE-LBPRGKRZSA-N 410.475 1.288 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1301273916 YDYVADKEURXGRV-ZDUSSCGKSA-N 419.511 1.266 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1301491820 ZQNSJQAPNQBBOM-MRXNPFEDSA-N 409.498 1.228 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1301492585 KORMGCIRJILCQC-OLZOCXBDSA-N 418.841 1.410 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1301498903 UYKXKNABHLJTIK-LSDHHAIUSA-N 413.544 1.081 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)n1 1304753766 GYSPFSYPBYAHBW-QAPCUYQASA-N 421.502 1.016 30 10 HDEE CC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1305844754 AQPYKOKEQBKHLS-KGLIPLIRSA-N 404.496 1.423 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC(F)(F)CO1 1306194646 ONEWMEOCKSKYAI-OAHLLOKOSA-N 403.437 1.858 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1315064983 LNLOJSSQIDXTRW-FVQHAEBGSA-N 400.508 1.601 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316538146 HPBYBZBMULYCRZ-GUDVDZBRSA-N 418.542 1.485 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1352811419 PCXGFDHWLHUHPD-HXUWFJFHSA-N 412.534 1.581 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358928639 GMJUVJQREJBHNF-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(C)=O)c1 1359023313 GVUVZPWGDFOOIZ-SFHVURJKSA-N 410.478 1.322 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@H](COC)OC)CC1 1359032794 CVUWHYSGWRDNME-QGZVFWFLSA-N 413.478 1.090 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359085521 QVSXKSUULLPOSN-HUUCEWRRSA-N 417.311 1.887 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1359113579 LNDAMFGFNLDLEJ-HNNXBMFYSA-N 421.523 1.606 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359132064 MAOCDTUVNYJZCO-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359292710 WFUNZLQZPADTDR-LJQANCHMSA-N 412.538 1.559 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1359304043 JONYZLKMXKROSZ-INIZCTEOSA-N 412.494 1.088 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359327195 VDSDRFNBTSRBCG-JTDSTZFVSA-N 412.556 1.777 30 10 HDEE CC(C)OCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360402643 NQUMVNUZTPSVPI-INIZCTEOSA-N 411.466 1.189 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1360475038 ZBNRQONUKAZZQB-IUODEOHRSA-N 413.482 1.659 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC(=O)N2CCOCC2)C1 1360784575 HLYGWHNHOHKESP-OAQYLSRUSA-N 409.494 1.253 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1CCC(S(C)(=O)=O)CC1 1439296723 RABKTXYNVFTTMK-UHFFFAOYSA-N 417.535 1.870 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)ncc2Br)CC1 1445686913 HXVLCAFXCQPINZ-UHFFFAOYSA-N 416.073 1.805 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN(C[C@H]2CCCO2)C(=O)OC(C)(C)C)CC1 1449419640 AUBAGQYKBAVVQT-OAHLLOKOSA-N 409.483 1.708 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)c1 1452087041 NMASTSRYUDXISU-IBGZPJMESA-N 413.499 1.464 30 10 HDEE C=CCN(C(=O)c1cccc(-c2nnc(CCOC)o2)c1)[C@@H]1CCS(=O)(=O)C1 1456084655 JMUKZXIZPYWBRU-MRXNPFEDSA-N 405.476 1.741 30 10 HDEE C#C[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1458034426 MBMBCZBYRHTDLX-KRWDZBQOSA-N 405.520 1.461 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c([N+](=O)[O-])c1 1458049040 KQEMBKWMKCTJTL-UHFFFAOYSA-N 409.374 1.651 30 10 HDEE CCCCN(C(=O)CN(C)[C@H]1CCC[C@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1460603125 AQGZPTKWYCSNFN-HOTGVXAUSA-N 418.542 1.944 30 10 HDEE C[C@H](C(=O)Nc1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460824781 ROGRRMPKXYCYDP-WQGACYEGSA-N 412.309 1.646 30 10 HDEE C#CCCN(CCOC)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1461785631 UTHSYFAFETXDMW-IRXDYDNUSA-N 408.520 1.596 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@@H]2COc3ccccc3O2)n1 1463634622 QXUUHMAMCAXIDH-KRWDZBQOSA-N 405.476 1.135 30 10 HDEE COc1ccc(Br)cc1CN(C)C(=O)Cn1cc(C#N)c(O)nc1=O 1466253955 FSCOIPIYLUDUSW-UHFFFAOYSA-N 407.224 1.250 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1467990443 CLAAJZBHMLZDIW-AWEZNQCLSA-N 403.439 1.507 30 10 HDEE C=CCC1(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1469919641 AYPFUSVWPJXTOH-OAHLLOKOSA-N 402.900 1.221 30 10 HDEE Cn1nccc1[C@@H](O)C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1470415741 DGIFFRBPXUXUHL-IBGZPJMESA-N 405.462 1.645 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@H](c2nccc(O)n2)CC1 1472288898 SMQDABVZVBMVBN-JOCQHMNTSA-N 415.475 1.063 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1498535639 NJIOYHFUXNDVBQ-GJZGRUSLSA-N 415.498 1.254 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1507515801 IODBMJIEEWBBQL-OBJOEFQTSA-N 410.569 1.915 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1507605591 WGUUXBVGUUCLBZ-JOCHJYFZSA-N 418.586 1.414 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(C)COC1 1507652339 HEBYYCOVAFSGAS-UHFFFAOYSA-N 416.485 1.784 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC2CC2)nc1 1507667051 JXTIMMCERVHSSM-IBGZPJMESA-N 418.501 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCO[C@H]1C 1507676872 RHRHNPZNYMAHBO-HTAPYJJXSA-N 412.465 1.999 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cccc(C)c1 1507710719 JZIFWUQGMJMALG-IBGZPJMESA-N 411.506 1.606 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cccc2Cl)CC1 1507723718 RVMFYWMOQZYMBI-QGZVFWFLSA-N 416.888 1.825 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(O)CCOCC2)CC1 1507734352 WBBAUGCEBJWUBV-INIZCTEOSA-N 403.527 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccco2)CC1 1507740742 YAMJUZMPCHVZMH-UHFFFAOYSA-N 404.474 1.871 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)N(C)C)CC1 1507878158 JEDKJKDVBKFYKS-UHFFFAOYSA-N 419.507 1.722 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1507967297 FCNOUUKQUMJUNR-ZDUSSCGKSA-N 406.512 1.517 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCN(C(C)C)CC1 1507981069 IQYNACOFEAJKKY-MRXNPFEDSA-N 411.572 1.038 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1508032809 ICSZCLCCKKYUAT-INIZCTEOSA-N 410.482 1.727 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1508160515 VFRRAOOJIOTPRL-ZIAGYGMSSA-N 413.569 1.162 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1 1508425964 CZWNYTDPNFNZFO-BEFAXECRSA-N 405.572 1.434 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(C)C)cc1 1509692369 GSKQTMCWMBZMNZ-SFHVURJKSA-N 412.494 1.981 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H]1COCCO1 1513357440 PDXBZPNOPFNZMR-BEFAXECRSA-N 408.478 1.444 30 10 HDEE COCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1 1519413164 KFOBDBFBEPZEJU-UHFFFAOYSA-N 401.515 1.933 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1539089160 IZKQHCJVTCWTGM-UHFFFAOYSA-N 407.478 1.445 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539102538 XFJKYIDCQSEFDQ-KRWDZBQOSA-N 409.450 1.823 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539210015 AEPBZPUJCJRZHK-GOSISDBHSA-N 422.514 1.605 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC 1539245002 AHQHZYDMRDJZGS-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCCC1 1539315782 UCBHWLZVCBKEKW-UHFFFAOYSA-N 408.506 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCNS(=O)(=O)CC 1539323704 JPLXCTRDSLZYRL-KRWDZBQOSA-N 407.540 1.312 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1539482265 KTMCXDHKVQLTMP-IBGZPJMESA-N 416.570 1.163 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C)C1 1539499410 KECICIJMNRHMII-HNNXBMFYSA-N 420.560 1.940 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539621870 UMFDZKLZFASCNW-HKUYNNGSSA-N 411.510 1.388 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539722490 OCQUJFORCWNJPE-HUUCEWRRSA-N 405.455 1.221 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540869307 IQMZHLXFOVWWBJ-OAHLLOKOSA-N 404.515 1.903 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N(C)C(C)=O)CC1 1540897791 SLVPELXSONDXJY-HNNXBMFYSA-N 411.572 1.840 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540902049 YPCCRXHBPACZOA-LJQANCHMSA-N 409.556 1.057 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1540916396 WSSMXBHJRJQCNS-OAHLLOKOSA-N 409.556 1.984 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1541907757 DLKBIILJBQBGLC-UONOGXRCSA-N 406.512 1.167 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2cnnn2)c1 1542676295 DGQZBENQUBGVMN-LJQANCHMSA-N 411.445 1.684 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(OC)CCOC1 1555628852 LMMDVURLFUDWMF-UZLBHIALSA-N 407.515 1.938 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1555670937 ZOLAQFJHZJAETB-AWEZNQCLSA-N 424.452 1.902 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@H]2CCO)CC1 1559959596 HNMWFFJMHVESGV-IEBWSBKVSA-N 404.486 1.468 30 10 HDEE N#Cc1ccc(NCC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)nc1 1565684786 CJOVSYURPRPCAH-LJQANCHMSA-N 406.490 1.379 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1567670666 ATTQVQPYUUAAEU-AWEZNQCLSA-N 420.514 1.663 30 10 HDEE C#CCOCCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1571705793 UKNDDIFTFWZSHD-TYZHSBRISA-N 404.507 1.106 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3n[nH]cc3I)CC2=O)cc1 1585208781 FVYYMSKWLVXQFI-SNVBAGLBSA-N 421.198 1.878 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1587723395 GYLIGNGXCXSEMK-DOTOQJQBSA-N 406.527 1.104 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1587766739 YGQKMUGXVSNTAC-QGZVFWFLSA-N 404.540 1.837 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1587940366 UUXBRSVBLJZXDO-UHFFFAOYSA-N 401.902 1.227 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588054347 NKRZEOUDPJLJIO-ROUUACIJSA-N 406.552 1.987 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1588386247 OJAZJXUNWFMWBZ-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2Cc3ccccc3O2)CC1 1588733726 YXGKSIUUMMNVER-SFHVURJKSA-N 408.506 1.175 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2ncn(C)n2)CC1 1588837356 QUHFNCXTPGQWCA-UHFFFAOYSA-N 410.913 1.454 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(SC)CC2)C1 1595674760 TWLJABVHXISIIJ-UONOGXRCSA-N 415.585 1.565 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnn(C)n2)C1 1595681056 OKGFZKLQXCPWFH-HNNXBMFYSA-N 400.874 1.952 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1cccc(Cl)c1 1611159402 MBKKEYDZZDTJCZ-SJCJKPOMSA-N 405.867 1.240 30 10 HDEE CC(C)(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OCc1ccccc1 1611165713 SWVBITRRPHVFDZ-JXFKEZNVSA-N 419.503 1.478 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC2CCN(CC#N)CC2)C1=O 1617360194 NBNYBMOMDYKSDS-QGZVFWFLSA-N 421.542 1.101 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1619490398 ALUWJQPTDSMJOJ-ZIFCJYIRSA-N 424.505 1.855 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1619538861 CKWFTVCLUOTFFV-FHLIZLRMSA-N 412.494 1.568 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CC1 1619547497 QOKMLFAOARKMFU-UHFFFAOYSA-N 410.434 1.655 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc(C)no1 1620099659 JYRHXCRAHWKMEX-QOKNQOGYSA-N 419.461 1.768 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1 1620167280 CATIJEDSMVCFTO-KXBFYZLASA-N 418.498 1.669 30 10 HDEE COc1cc(C#N)ccc1OCCN1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1620584048 FUVOKTDYWDUGTM-QGZVFWFLSA-N 404.492 1.541 30 10 HDEE C#Cc1cccc(N(C)C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c1 1623247096 NUCSRQORAUVCNC-UHFFFAOYSA-N 419.441 1.829 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cn1 1623494355 HGSPDSBTJGNQPW-KRWDZBQOSA-N 417.466 1.615 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cn1 1624176785 HKBGTOAVUFADAU-UHFFFAOYSA-N 414.487 1.639 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1626046553 DAFAOCPRCNWKLR-HZPDHXFCSA-N 405.499 1.744 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3cncn3)nc2)s1 1629613450 GJUQEWALTXQHKY-UHFFFAOYSA-N 404.477 1.369 30 10 HDEE C#CC1(O)CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1630039593 ZDAILEDCLIJXPH-NQIIRXRSSA-N 400.475 1.789 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)c1 1630655367 GLSMMFXIIREHBG-UHFFFAOYSA-N 415.490 1.875 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1632079265 XHUCVJGFWWLCGT-HNNXBMFYSA-N 420.535 1.130 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN([C@@H]4CCOC4)CC3)C2)C1 1632237662 HZRFBJAZYKYJPY-NYXBAERPSA-N 418.538 1.706 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1 1634209179 QDYJHHICTZLRBV-OWCLPIDISA-N 409.483 1.706 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)n1 1635721099 DXTJCELGBCCUGI-LAUBAEHRSA-N 420.510 1.252 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1636288227 FZBTWISRZIVUMQ-MGPUTAFESA-N 424.482 1.697 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1n[nH]c2nc(C(F)(F)F)ccc12 1637590639 SDTBBRGNEXMSPA-UHFFFAOYSA-N 424.364 1.654 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1637871169 ZBOHYFZSMDLJOI-UHFFFAOYSA-N 402.472 1.593 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)cn1 1638150513 TVZJLNQKMSEODX-UHFFFAOYSA-N 418.413 1.461 30 10 HDEE Cn1cc(-n2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc2=O)cn1 1638906337 QAVGLGKTFDYLKQ-QGZVFWFLSA-N 403.446 1.554 30 10 HDEE CN1C[C@@]23CCCC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C3 1639139417 RXOYRBOXSXXVNV-WOJBJXKFSA-N 402.520 1.171 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccnc(C#N)c2)C1 1640005156 DEDNBHRVGTVKCL-OAHLLOKOSA-N 402.480 1.010 30 10 HDEE NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1640380084 ALVAOUTZEYOIAT-WOJBJXKFSA-N 413.518 1.448 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)c(=O)nc1O 1641029539 BRHVIAVYVCWSRX-UHFFFAOYSA-N 416.397 1.696 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1641583134 QAELTTRRHDBWEG-IAGOWNOFSA-N 422.551 1.954 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCC(=O)N2CCN(C)CC2)nnc1-c1ccco1 1648190336 MYGJSDRVQGMEJE-UHFFFAOYSA-N 418.523 1.097 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1648274097 LMZHLGPMOOXHAS-IXDOHACOSA-N 420.535 1.157 30 10 HDEE Cn1c(=O)[nH]c(Nc2cccc(CS(=O)(=O)Cc3ccccc3)c2)c(C#N)c1=O 1650756795 DNUFCSDFKIJCBC-UHFFFAOYSA-N 410.455 1.804 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1653068786 GDEUUEQIFTWOOG-SQGPQFPESA-N 401.488 1.078 30 10 HDEE C#C[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1654037226 ZHJHKAZMBFHNIT-RBUKOAKNSA-N 403.548 1.562 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1655605829 OHBGBWVPAKGKOU-INIZCTEOSA-N 412.533 1.274 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1665168804 BUGZEXOLITVIAC-SNVBAGLBSA-N 412.327 1.458 30 10 HDEE C=CCCSCCNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1682532555 PVXHZULCYZJTRK-CQSZACIVSA-N 412.556 1.815 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1 1682790183 PIPXZAVDQMSUIA-UHFFFAOYSA-N 410.522 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1689846474 KQIJBVWPNCONOI-AWEZNQCLSA-N 411.491 1.083 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1689883849 AAZLTDYOFVNNIZ-KRWDZBQOSA-N 418.567 1.853 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1689892568 IJFVLKZIGNUKHV-IRXDYDNUSA-N 409.556 1.793 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1689986621 UDZJWBDXEWDPNA-MRXNPFEDSA-N 411.487 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(C)nn(C)c1C 1690003776 XOOHVVMENNKAFY-QFIPXVFZSA-N 410.522 1.790 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690017496 FRLMETHJPVXKSG-MOPGFXCFSA-N 423.492 1.728 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1690045812 QOTSWRDHTUXVPI-SFHVURJKSA-N 419.485 1.902 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C(=O)NC 1690165503 AMYMLPDJQXCVQU-CQSZACIVSA-N 415.519 1.859 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(=C)C 1690189911 GEKFUFCKSZJCPB-OGNFBWPZSA-N 421.567 1.862 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1690319355 KHMNDUWQKZCGPF-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690506047 AZYRMYGAMMXNCD-UHFFFAOYSA-N 408.528 1.338 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCc2oncc2C1 1690727193 WRPNWJQFTNEDOH-UHFFFAOYSA-N 414.491 1.415 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1691480611 OPGQSGKAXARKOO-CQSZACIVSA-N 415.498 1.906 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cn1 1695786635 BGVZOEICURZQEP-OAHLLOKOSA-N 404.478 1.748 30 10 HDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1=O 1695866061 QJVBUVDQYANSMG-UHFFFAOYSA-N 410.478 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1705478423 BCXRQUJLKGSLIF-PGRDOPGGSA-N 419.570 1.887 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(C)COC2)c1 1705504571 ASKUWGQLKZLEKE-QGZVFWFLSA-N 422.489 1.322 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1705530086 NWZMKJFOWQYJBS-OAHLLOKOSA-N 405.466 1.001 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC#C)CCOC 1705530152 JXIWXXLAKKTGND-UHFFFAOYSA-N 414.535 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C(C)(C)C)no1 1705620772 GDUVLBFORSDFHW-UHFFFAOYSA-N 414.510 1.934 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705662667 HBEJMJICKWZMGY-FQEVSTJZSA-N 412.519 1.661 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705688378 QTXPPVFDLMUKKS-BLLLJJGKSA-N 412.288 1.722 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(N)=O)C1 1705708250 ZYFFHXJOOGQQSN-ADHGMGHFSA-N 419.526 1.295 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1705741329 MSLWBAULMJAXTQ-HZMVEIRTSA-N 422.482 1.709 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705818280 FKJNOYDLBQIBOY-MRXNPFEDSA-N 424.509 1.016 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F)C1CC1 1705853399 ZPXXODHGLSYCQU-QGZVFWFLSA-N 412.469 1.953 30 10 HDEE CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1710823522 IWPDZXLEYZAPFU-OAHLLOKOSA-N 405.480 1.114 30 10 HDEE COc1ccc(-c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1711771727 COKKEPQAGQBSNS-UHFFFAOYSA-N 422.445 1.754 30 10 HDEE COc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1711993234 FJIFMHJCVZCXTD-ACJLOTCBSA-N 422.486 1.387 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1722281790 AMBNDHSXRHFHEU-KRWDZBQOSA-N 410.522 1.759 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCOCC)c1 1722309437 NKQDFFGIDIYBKK-UHFFFAOYSA-N 405.462 1.828 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCOc2ccccc21 1722446273 CKVSNVUTCCYGQK-FUHWJXTLSA-N 409.490 1.882 30 10 HDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722578911 COMXLDXUNMYZAM-KDOFPFPSSA-N 406.962 1.972 30 10 HDEE C=CCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722691032 OURSMGKBHPJCDW-RTWAWAEBSA-N 416.526 1.990 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722695279 YPBJJTWJHIJYBA-HNNXBMFYSA-N 419.489 1.462 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1723925650 KHZIZDAACODPLW-AAEUAGOBSA-N 418.470 1.052 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)C1 1724002657 HVNPYUUHNPQSIT-DYESRHJHSA-N 415.542 1.206 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1728655368 CEPNIYHRIVZAQZ-QRWLVFNGSA-N 413.526 1.666 30 10 HDEE COC[C@H](F)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1730480657 NJQRWQRRVKPPQO-HUUCEWRRSA-N 402.478 1.763 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1OC 1730871191 ADCAYLILWFAFAY-PBHICJAKSA-N 419.457 1.927 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCc4oncc4C3)n2CC(=O)NCC(F)F)c1 1731179106 NEHFGJQDCRACOU-UHFFFAOYSA-N 413.388 1.749 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(C2CC2)C1 1740603285 MIWUUYKSVDOBOA-INIZCTEOSA-N 413.547 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1740654700 OLZNHLLGJBCMTG-OAQYLSRUSA-N 419.577 1.753 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740663306 FZJWQIPDHBPUHN-PXNSSMCTSA-N 424.567 1.603 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1740671656 LREKMGLKRUAWEL-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1740672077 WHYGALYYBPCQNJ-SJLPKXTDSA-N 405.568 1.657 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1N(C)CCCC1(C)C 1740678359 KUPCYJNIVWUFIH-QGZVFWFLSA-N 404.559 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)C2CC2)CC1 1740706354 WHURWQVGCIRFCM-JOCHJYFZSA-N 401.555 1.994 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1740715439 AIVCCSAZEGKFCM-KRWDZBQOSA-N 420.583 1.143 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1740729342 DNVNUHXWMIHVQP-CDHQVMDDSA-N 402.568 1.659 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCOC1 1740857116 DDBBGARTGJBHEE-LPHOPBHVSA-N 412.556 1.514 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1740929854 BEKTXNVZTFTYPJ-QGZVFWFLSA-N 412.469 1.977 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740958473 QBXQCEJNDKGNFO-GOSISDBHSA-N 414.554 1.981 30 10 HDEE C=CCOc1ccc(Cn2c(C3CC3)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1740966394 LOIKHCKOQMCEKW-UHFFFAOYSA-N 424.549 1.979 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1741001350 RUDMOSDKSDLXMS-INIZCTEOSA-N 406.556 1.596 30 10 HDEE CCNC(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c1 1746503891 DCSFTFICSNAONV-IBGZPJMESA-N 417.473 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1748641437 GYASTOKFRHQWCC-KXBFYZLASA-N 410.540 1.354 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1748667016 LRVKVENOKPEFMS-HZPDHXFCSA-N 414.510 1.311 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1748709959 BWSQHEZHTAYLAG-UWJYYQICSA-N 400.527 1.334 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1748771418 LIMAUFGITQSNOH-QGZVFWFLSA-N 423.315 1.659 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCCO2 1748791163 PREYGMFWFHGNBL-INIZCTEOSA-N 416.503 1.459 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCCCCC1 1748947965 BLLOEYVAJDRTGW-UHFFFAOYSA-N 402.543 1.476 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1ccnc1C 1748960591 LOHKFBULVOGTBO-UHFFFAOYSA-N 411.466 1.297 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(F)cn1 1748961225 YDNNZMQDUSXYFS-UHFFFAOYSA-N 412.425 1.674 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccc(C)n2)CC1 1748979177 VZFPKWQHWBZRMC-HSZRJFAPSA-N 424.549 1.632 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1749131035 PRSHJCUYLKXWSO-AABGKKOBSA-N 419.570 1.922 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(=O)NC 1749143030 CERYBPBEKRNGBK-CYBMUJFWSA-N 400.549 1.063 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1749268507 BWWDMRYNPPSJHR-CABCVRRESA-N 417.963 1.846 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1749575497 SBGVBCBUYRYACW-AWEZNQCLSA-N 421.489 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC=C(C)C1 1749657757 FAKLCTJIFDOQIY-UHFFFAOYSA-N 405.466 1.379 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)C(C)C)CC1 1749677135 OSSATMZQUXVKNI-UHFFFAOYSA-N 416.551 1.537 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccn(C)n2)C1 1749697161 IATOYLZDNXHTLS-XLIONFOSSA-N 402.499 1.493 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760098053 NUBMIEVZDKRTDO-HUUCEWRRSA-N 420.539 1.577 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760138018 PKUYEYCJEQEUIZ-OALUTQOASA-N 416.570 1.622 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760175468 KHLAQNXYAATPNY-ULQDDVLXSA-N 401.490 1.198 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1760194092 ZDVLOJLCSKVYFG-PKOBYXMFSA-N 404.474 1.979 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1760352793 YFDZEGGMECNELE-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1760450695 PTDWMMFGKBIPOA-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1760527518 ZMXKFMMUYPGSIH-UHFFFAOYSA-N 402.543 1.618 30 10 HDEE CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1760686872 ANFIRNIOYPEVPI-ROUUACIJSA-N 417.558 1.467 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@@H]2C)n1 1762407779 DBBOXUPYYLAXRR-WMZOPIPTSA-N 400.531 1.599 30 10 HDEE CCc1nnc(N2CCN(c3ccccn3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763103581 QCNJVYIQKXQRTN-VXPUYCOJSA-N 422.493 1.089 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1770160100 QTSCLBHAKWEWQB-IBGZPJMESA-N 424.505 1.681 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCOCC(F)F)cc1 1770732709 IHWZPNIPWHCXFM-HXUWFJFHSA-N 416.432 1.815 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1770756984 RJONALBNMDQDGI-GOSISDBHSA-N 418.567 1.572 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1771166750 RZBPOFAUZATCOS-ARFHVFGLSA-N 413.544 1.708 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1772564384 SPNDZGKCICEBNM-BBWFWOEESA-N 411.572 1.302 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(C)c1)[C@H]1CCN(C)C1=O 1848806547 REXGRVXYDYAXBN-ZWKOTPCHSA-N 405.520 1.393 30 10 HDEE CCOC(=O)C1CCC(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 1849799422 UURNSMBCEGNLBO-UHFFFAOYSA-N 405.520 1.986 30 10 HDEE C#CCOc1cccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 1850099978 NBZRPSCXPBZIOD-UHFFFAOYSA-N 419.425 1.746 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(C)CC(=O)N3CCOCC3)n[nH]2)c1C 1850827769 RNGSBAJWWVGNAH-UHFFFAOYSA-N 400.483 1.397 30 10 HDEE COc1ccc(-n2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)nc2C)cc1 1850910826 SSHXYKKFVYSTBH-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2cc(N(C)C)nc(C)n2)CC1 1851382162 OGOSUMPWZITLLH-UHFFFAOYSA-N 410.478 1.459 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)CC1 1851509636 NCKYNSXUDIFFKJ-NRFANRHFSA-N 420.444 1.830 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3F)C2)NC1=O 1851648128 BQRTXCSGGJKKTL-SECBINFHSA-N 406.801 1.153 30 10 HDEE C=CCN(C(=O)CCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)c1ncccn1 1851773453 ACYLTTZPIRITPJ-MRXNPFEDSA-N 403.508 1.801 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3ncc(C#N)cc3Br)C2)cc1=O 1852183832 IABOACSKOKPBLN-GFCCVEGCSA-N 417.267 1.665 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@@H]3C(=O)N3CCc4ccccc43)CC2)n1 1852910650 LCFYLKUHYZZACY-ROUUACIJSA-N 402.458 1.222 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cncc(N(C)C)c2)C1=O 1854225175 URFISFSRIXIRSL-RTBURBONSA-N 413.522 1.388 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCC[C@H](N(C)CCC#N)C2=O)cc1 1854306671 UDXNINBTSZOEAD-SFHVURJKSA-N 421.519 1.612 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)cc2OC)C1=O 1854617102 LPYPEOGUQZSWEY-KRWDZBQOSA-N 408.458 1.656 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4ncccc4n3)C(=O)C2)C1 1854940522 DWNJPFLAPMMINW-IAGOWNOFSA-N 406.490 1.681 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCCN(C(=O)Cn3nnc4ccccc43)C1=O)CC2 1855369257 GVXFRRUSGTWVPG-QFBILLFUSA-N 406.490 1.965 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)[C@H](C)C2=O)CC1=O 1855639604 BAHFFZDSYJEMTH-NVXWUHKLSA-N 415.490 1.298 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccncc1F 1855975545 IKRSSJDZGZYBTB-UHFFFAOYSA-N 402.407 1.484 30 10 HDEE COc1ccc2c(c1)CC[C@@H](C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O)C2 1856047988 XNKUUUDFSXSGQZ-MRXNPFEDSA-N 419.503 1.103 30 10 HDEE C[C@@H]1CN(Cc2ncnn2C)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856488221 WSLYRQVDFUEWDD-CQSZACIVSA-N 401.430 1.911 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1856497260 ZLNAKGLJKZVZHO-MSOLQXFVSA-N 418.519 1.203 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)Cn3cnc4ccccc4c3=O)C1=O)CC2 1856524879 LATSMRGYHCVWDI-MAUKXSAKSA-N 405.458 1.150 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)CCc3ccc(F)cc3F)CC2=O)CC1=O 1856597117 OSNGCMBYDBOYDT-RDJZCZTQSA-N 419.472 1.849 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3cn(-c4ccncc4)nn3)C2=O)CC1 1857197965 XXNJBZABTYJTJN-IBGZPJMESA-N 407.478 1.809 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nnc(C2CCOCC2)o1 1857244876 TXYKMXBADQBNCF-CQSZACIVSA-N 409.446 1.708 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H](O)CNC(=O)c2cccc(C#N)c2)ccc1Cl 1858030513 XPVDHRCEGKLVKK-MRXNPFEDSA-N 421.906 1.932 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861205305 ZCAAMULOGMRMGX-LNLFQRSKSA-N 405.926 1.816 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCCO 1870543955 FNVZUZZRXAXNMX-LJQANCHMSA-N 419.522 1.079 30 10 HDEE C#CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870561225 DQOFPCQOQSRXDE-UHFFFAOYSA-N 409.486 1.615 30 10 HDEE COc1ccccc1OCC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1889746662 UVSMNZVBHSIEMV-INIZCTEOSA-N 406.504 1.398 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)COC1(C)C 2174783005 XGWUQLOPLOJCAE-KGLIPLIRSA-N 402.517 1.428 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CN(S(=O)(=O)c3ccc(C#N)s3)C[C@H]1CCO2 2175162310 FEJWQPKNWKNNBA-PXAZEXFGSA-N 413.521 1.924 30 10 HDEE CC1(C)C[C@H](S(C)(=O)=O)CN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2235503623 FILFUINHLXPCQJ-LBPRGKRZSA-N 400.375 1.840 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2OCC[C@@H]21 2248405127 OYVHKNCEBFXWBR-JYJNAYRXSA-N 420.315 1.904 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2249527286 IYMNGHFCVDJDOD-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371087 VJWGUUHDMFVNKB-NEPJUHHUSA-N 405.372 1.456 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CS1 2267411078 SYMFAOTVWAXPNV-GHMZBOCLSA-N 404.388 1.756 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3(CO)CCNCC3)sc2Cl)OC1(C)C 2281960833 FPTAAEVFHOMSIQ-UHFFFAOYSA-N 400.737 1.545 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310876 ZRYZHQFBOKVILC-CHWSQXEVSA-N 400.375 1.904 30 10 HDEE C[C@@H](N)[C@@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333083 KJJIOOUPWOVGJI-OCCSQVGLSA-N 400.375 1.938 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333491 PIHRJQUQQCUBHK-WFASDCNBSA-N 401.359 1.377 30 10 HDEE CC1(C)CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282334548 CYBBENQWGFSDKR-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282352641 PVHZKWUURWDLFX-VWLOTQADSA-N 401.359 1.423 30 10 HDEE COC[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1=O 2282354944 XRNOOHIYRGYZEM-LLVKDONJSA-N 401.315 1.231 30 10 HDEE CC[C@H](C)[C@@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282413682 ILEJXXGEXWUXGJ-AAEUAGOBSA-N 404.363 1.269 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](N)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282500972 QMSVHTDJLCACAT-MFKMUULPSA-N 400.375 1.774 30 10 HDEE C[C@@H]1CN(C)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501640 ZONPLNQFEYBPGT-CYBMUJFWSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CCO)C(F)F)OC1(C)C 2282505240 APYXQMXRMOALTD-NSHDSACASA-N 411.301 1.483 30 10 HDEE CCN([C@@H]1CCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282508294 ULJCDUOQALHQIT-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(C3OCCO3)cc2)n1 2282619946 YKKFOJKFANZHMR-UHFFFAOYSA-N 400.244 1.412 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@H](CF)C1 2282829962 NIFLBUIKWSLGRX-GFCCVEGCSA-N 405.322 1.715 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282854941 XPFIALMBUVHQJJ-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CNC(=O)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866669 NFOFWBRUTPCHGQ-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE CN(C)C[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284475852 CCWIXBVPIIFTIH-SNVBAGLBSA-N 402.709 1.445 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccs2)CC1=O 2327842653 XHDUCTKYEWJWJI-LLVKDONJSA-N 406.537 1.914 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2339666833 DRMVXCYGECVIBK-LVCYWYKZSA-N 422.547 1.611 30 10 HDEE CCc1nnsc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs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c1c(N)cc(Br)cc1Br 37063514 YUFNBWNBWOCMRK-UHFFFAOYSA-N 408.075 1.832 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 52716794 KJTTUKLNIVTCRF-UHFFFAOYSA-N 410.497 1.992 30 10 HDEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)CC1 55240593 CGXHSFQNNCVVBG-UHFFFAOYSA-N 410.927 1.386 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCCC(=O)NC(C)(C)C)n[nH]1 59888429 BUMNGSINOHDDKH-VCHYOVAHSA-N 408.532 1.453 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@H](c3cc(OC)ccc3OC)C2)c1=O 101455851 PDKRKDJPRCTBRJ-HNNXBMFYSA-N 414.418 1.143 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 108516502 REAJGELVPQYTSI-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE N#C[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130061328 XNZAIZWAFYSIRS-UFBFGSQYSA-N 420.228 1.960 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)C 253574598 SVDPNEOOLAYJGQ-UHFFFAOYSA-N 408.572 1.348 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254488641 NUCJUNLGIPQTEI-JYJNAYRXSA-N 408.501 1.670 30 10 HDEE CC[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccccc1OCC(=O)N1CCCC1 409473213 BHVPCQQKNMCQDV-NVXWUHKLSA-N 410.478 1.979 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 410213887 IDRYXQQTJUSOEZ-LPHOPBHVSA-N 420.535 1.829 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H]1[C@@H](C#N)c1ccccc1)c(=O)n2C 464818922 AEYOJQBNQDOMCI-ZWKOTPCHSA-N 406.490 1.596 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3ccc(-n4cncn4)cc3)CC2)c1C#N 471858661 IAOBLYGFPMVQIS-HNNXBMFYSA-N 419.493 1.774 30 10 HDEE C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 472945494 AIGIOBQOBXOKPA-SMDDNHRTSA-N 406.368 1.936 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 474777795 UTINIDRHVLTHOQ-KRWDZBQOSA-N 401.463 1.622 30 10 HDEE Cn1ccnc(N2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)c1=O 480047508 VGXCDEDQPAGTCA-UHFFFAOYSA-N 403.490 1.904 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1C#N 489113644 QRPRHCJRUSJHFI-UHFFFAOYSA-N 402.451 1.938 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497580502 DJBUDCTUTGWSBF-UHFFFAOYSA-N 419.491 1.009 30 10 HDEE C=CCOc1cccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 497677768 ARFKWIFPIJHKLF-UHFFFAOYSA-N 414.506 1.250 30 10 HDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC1=O 503640633 BPXXJDDONUDXIO-CYBMUJFWSA-N 404.854 1.286 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)Cc2cccc(C#N)c2)c1 530674403 BTGIIFVDPDWBSE-CYBMUJFWSA-N 400.460 1.152 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@H]2C1 534371316 XXDKSOYTOBRKOA-NJAFHUGGSA-N 407.492 1.287 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3cn(-c4ccccc4)nn3)CC2)o1 541691266 WOHHKKAPQHRJBX-HNNXBMFYSA-N 420.477 1.435 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549655208 PTONYZMURCGGMW-UHFFFAOYSA-N 409.494 1.653 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 555165956 QHZOOJYQPOOZGP-SJLPKXTDSA-N 408.520 1.448 30 10 HDEE C[C@@H](NC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)C1(S(C)(=O)=O)CC1 558145865 KRGSOEWJQZPWJD-MRXNPFEDSA-N 404.536 1.741 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 561433340 VOLNWRXZSBWMEP-MRXNPFEDSA-N 411.412 1.933 30 10 HDEE C[C@H]1COCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 561920565 ORBSYFLSYLULDD-DOTOQJQBSA-N 406.508 1.247 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)NCc2ccc(Cl)cc2)CC1 585226823 BIYAFSFSBUTVPG-UHFFFAOYSA-N 412.881 1.651 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(CCc3ccccc3)C2)c(F)c1 586837733 LDUNCEHBHZARNM-LJQANCHMSA-N 408.477 1.994 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)CC1 603828771 VHWJVSHPNYXINB-UHFFFAOYSA-N 405.418 1.364 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cn1 609658766 MCVCQTIWEHROFB-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730141159 NPIUNSGGOZTVLP-MRXNPFEDSA-N 419.551 1.049 30 10 HDEE CCCOc1ccc(C(=O)CCC(=O)[C@H](C#N)C(=O)N2CCS(=O)(=O)CC2)cc1 732908492 MYAYWDVJBURUDG-KRWDZBQOSA-N 420.487 1.404 30 10 HDEE N#Cc1cc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)ccc1F 732986128 QSERMIACXHJOKX-UHFFFAOYSA-N 411.427 1.240 30 10 HDEE CC[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](O)c1c(F)cccc1F 752964565 HOXOJUVFCOISCB-YBSQEQSUSA-N 408.405 1.602 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758066835 CWTRPHNSALYJME-UHFFFAOYSA-N 417.494 1.242 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(C(=O)C2CCCCC2)CC1 761053282 PPEQPMJFNOENAG-UHFFFAOYSA-N 416.453 1.918 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 767747206 SQHLGQSWBIDWKD-AGUYFDCRSA-N 423.466 1.004 30 10 HDEE C#CCN(C(=O)NCC1(CN2CCOCC2)CCCCC1)[C@@H]1CCS(=O)(=O)C1 774244552 KIQWSITYYXREKZ-GOSISDBHSA-N 411.568 1.101 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(OC)cc2Cl)CC1 780477848 FUQCXLYKPIJCCH-UHFFFAOYSA-N 405.882 1.205 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](OC(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 781417157 XUQXEGZFYXXLSV-VXGBXAGGSA-N 401.435 1.734 30 10 HDEE C#CCN(C(=O)Nc1ccc(-c2nnnn2C(C)C)c(F)c1)[C@@H]1CCS(=O)(=O)C1 783100151 WQHRHQAXKWVQPA-CQSZACIVSA-N 420.470 1.714 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)c1cn(Cc2noc(C)n2)nn1 784230503 IOTQXDPBJHOZGZ-UHFFFAOYSA-N 419.195 1.880 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)CC1 785930036 MTEUQKHGGCORML-UHFFFAOYSA-N 402.926 1.869 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccccc3OC)C2)n1 788820690 IXQBNNCNRRLXSS-KRWDZBQOSA-N 410.474 1.553 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)n1 788821948 ZTYJBAIALRLEPS-HXUWFJFHSA-N 408.502 1.848 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(F)cc1-c1cnn(C)c1)c1cc[nH]n1 794135233 RUFBMLYHKNWRSC-UHFFFAOYSA-N 414.397 1.872 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2CC)c(=O)n1CCOC 794581930 RSGFTRKICCHJJB-UHFFFAOYSA-N 417.506 1.287 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1cc(F)c(F)c(Br)c1)n1cnc(C#N)n1 798853786 STSBWIMAYZVCAF-ZCFIWIBFSA-N 420.195 1.257 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1C#N 813670359 TUZJMMWLWUEVIZ-UHFFFAOYSA-N 400.504 1.949 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)cc1C 816691353 PNFRGVPRGQWWMV-KRWDZBQOSA-N 403.460 1.824 30 10 HDEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916931533 RXCNETOOJCEOKO-AWEZNQCLSA-N 412.446 1.939 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 921020162 GPBJSKFVAHASMO-KRWDZBQOSA-N 416.482 1.435 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1116867670 XMFSWDHRRRLEKI-GOSISDBHSA-N 405.458 1.416 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CC2)cc1 1125238823 LLEHVGRIUSAYKW-LTGZKZEYSA-N 417.495 1.394 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N3CCO[C@](C)(C#N)C3)CC2=O)cc1OC 1134268199 ZQUKZNKKOMDHOJ-HRAATJIYSA-N 401.463 1.236 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 1136149733 WOOAEWAMLDWPJA-UHFFFAOYSA-N 401.444 1.045 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1138180897 FEXJPOORJNUSEW-DOTOQJQBSA-N 412.446 1.656 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c1Br 1138215899 AMAJKMNKZCXNIS-UHFFFAOYSA-N 424.280 1.191 30 10 HDEE N#Cc1cn(C2CN(C(=O)CN[C@@H](c3ccccc3)C(F)(F)F)C2)c(=O)nc1O 1159490486 QQGDICGFWMCZBF-HNNXBMFYSA-N 407.352 1.097 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCC(=O)N3CCN(c4ncccn4)CC3)C2)c1 1168641994 DYIJVSXQEJWWNZ-UHFFFAOYSA-N 419.489 1.100 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)C1 1197748545 IDFPPTYHSVCQDK-JOCHJYFZSA-N 414.506 1.886 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2sc(C(=O)OC)cc2Br)CC1 1213773784 SOQLDYYEWSNFTJ-UHFFFAOYSA-N 421.338 1.673 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1228822252 XZDMIDOWSGJHHE-ZNMIVQPWSA-N 417.514 1.870 30 10 HDEE C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)nn1 1264248001 WQQRYTYCLVECBQ-UHFFFAOYSA-N 418.523 1.433 30 10 HDEE COC(=O)CN(CC#N)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1265397983 NVBCMIQGFQMCSZ-UHFFFAOYSA-N 418.494 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1286276714 YMESHCBZLOFVJP-WDEREUQCSA-N 413.454 1.122 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286350984 NKZJLSOUJOYVEE-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286360635 UZLMXAMKOLLBBG-OAQYLSRUSA-N 416.526 1.338 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@H]2CCOC2)cn1 1286379551 WLLHLFLRNKNEHU-SFHVURJKSA-N 408.510 1.610 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1286388965 DEWVXBUCJYMOLX-INIZCTEOSA-N 402.524 1.798 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1286447609 NCOAHZNPEMJUAY-BZUAXINKSA-N 413.519 1.209 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1286710818 DIBXGVNZQKLASV-UHFFFAOYSA-N 415.542 1.087 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286787155 POBNSAUWDVZUHG-HNNXBMFYSA-N 405.462 1.825 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OC)CC1 1286815731 DHFQAEWENTWOIQ-UHFFFAOYSA-N 423.495 1.336 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(=O)NC)CC1 1286816136 ISZVYPJZXVRCHE-UHFFFAOYSA-N 421.523 1.410 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)C1 1288976489 ALHJVZWUOLKDBG-GPMSIDNRSA-N 407.540 1.737 30 10 HDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1289237622 CBBUYGXCBUCPEV-UHFFFAOYSA-N 417.520 1.506 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1299013142 JBHGQFBIRPPHDO-GCJKJVERSA-N 424.505 1.585 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1299070836 AZSRFIZBDORKIR-IAGOWNOFSA-N 400.458 1.764 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)CCOC 1300587530 WINMPQABYRGPHN-QHCPKHFHSA-N 420.517 1.767 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1300595627 PJBRITUYZSWWBO-MBSDFSHPSA-N 424.501 1.869 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1300601318 GBCHNZKUJRAMCQ-SJLPKXTDSA-N 418.567 1.651 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(=O)Nc1ccc(F)cc1 1300665019 GNDDXJOLHFOLOZ-HNNXBMFYSA-N 401.442 1.646 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)cc1 1301301229 HIFKDOGVGHVQBW-LJQANCHMSA-N 418.519 1.470 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NC)c1 1301422560 OTVNZQIHFURMII-UHFFFAOYSA-N 409.494 1.725 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301429356 ZBSBTOULJGHDDV-FZKQIMNGSA-N 409.487 1.311 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1C[C@H](OC)[C@H](OC)C1 1301510190 UOKJJHBHCYUPMA-KDURUIRLSA-N 424.505 1.433 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)CC(F)(F)F)C1 1301535145 IMGYELSUWZUHNH-CQSZACIVSA-N 418.464 1.692 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1C(C)(C)C 1301595887 DFWCJWGZGULZEA-HNAYVOBHSA-N 412.556 1.561 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCSCC1 1301810412 WJKKVAGCGFCDLS-QGZVFWFLSA-N 408.572 1.587 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1301822995 RCFBOMHGZZVEBO-CABCVRRESA-N 414.911 1.565 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOC1=O 1302000770 QCLITJBWANQZFA-OAHLLOKOSA-N 406.487 1.584 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@@H]1OC 1302030739 UIYUKHQXJMVDGA-JEWRLFTDSA-N 411.478 1.496 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1302264435 FRNMHJMLYMDOCR-YJYMSZOUSA-N 421.477 1.586 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](C)CCCO)nnc12 1306851771 IIYQDXGNJRGXJM-CQSZACIVSA-N 415.519 1.847 30 10 HDEE N#CCc1ccccc1S(=O)(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1309047056 CYWPPOVCDPTSOW-UHFFFAOYSA-N 402.495 1.992 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CCOC)c1=O 1313850629 SVVSANGVFILBMB-SFHVURJKSA-N 414.510 1.768 30 10 HDEE CC1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1323596879 XOLLETKXGUGIMK-QGZVFWFLSA-N 421.519 1.868 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 1352929663 AIFRBKNITABINW-UHFFFAOYSA-N 415.928 1.716 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1358967842 UHAGBQOAABADCO-LNLFQRSKSA-N 422.551 1.423 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 1358994566 QGDBEDGBKAFCLI-OALUTQOASA-N 417.579 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1358994589 RCCGUTXBVSROLM-IBGZPJMESA-N 424.501 1.673 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(O)CC2)CC1 1359035459 UWJIEDJRYOQAHO-FQEVSTJZSA-N 416.570 1.122 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)CC 1359064263 OVYOAASWLJBOIM-GPMSIDNRSA-N 410.588 1.611 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)C 1359330783 CUZPNLYSWFLZSM-UHFFFAOYSA-N 409.512 1.699 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1359455944 IJHBLQUFSQPWME-LJQANCHMSA-N 400.414 1.642 30 10 HDEE CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1360265577 FZHSSTHRGHAGJO-KRWDZBQOSA-N 409.494 1.652 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1360477934 CHDOMDONIJNMSZ-AWEZNQCLSA-N 408.503 1.686 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N[C@@]3(C#N)CCc4ccccc4C3)CC2=O)cn1 1435936409 BJKUPPFDOIRGIO-GCJKJVERSA-N 407.474 1.450 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)c1 1441633267 VCDNLUFUZOMJGU-AWMROSOHSA-N 402.480 1.676 30 10 HDEE C#CC[C@@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCCN1C(=O)OC(C)(C)C 1452142063 AQQARTYYOGIZGF-IERDGZPVSA-N 406.527 1.358 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccnc12 1456472322 DEVMOVDQHQNVSF-GOSISDBHSA-N 405.414 1.991 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1457905989 GVLRNKMBQRPGMG-LLVKDONJSA-N 403.420 1.705 30 10 HDEE CC[C@H]1C(=O)NCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1462967621 LRMUHAHBVYBEAR-SFHVURJKSA-N 418.519 1.086 30 10 HDEE CC[C@H](C)[C@H](NC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464023074 FCVSIUMBHYJSSK-YOEHRIQHSA-N 422.507 1.162 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)c1 1464364123 NKTOZKKFKRJPQU-LLVKDONJSA-N 407.389 1.737 30 10 HDEE C#CCOCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1466372205 CXTQSFXFFJXPEU-AWEZNQCLSA-N 400.522 1.053 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)s1 1469151969 NMZYCISDWJTFBG-UHFFFAOYSA-N 400.279 1.960 30 10 HDEE N#C[C@]12CN(C(=O)CCC(=O)CCC(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1472191761 LFCFQQKVGRHABS-SCLBCKFNSA-N 408.501 1.457 30 10 HDEE CN(C)CCCN(C)CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1478901033 HGNYHYLTLCBFHF-UHFFFAOYSA-N 400.571 1.705 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)no1 1498377931 RYVDWIYEPWTKRR-ZQIUZPCESA-N 403.487 1.929 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499657485 AERBUZMPSKSXHF-DXNFXHBHSA-N 402.499 1.933 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1503201067 AYBISCYBIAEZRJ-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1503365396 HZCCYWVHOVROSA-UHFFFAOYSA-N 410.482 1.534 30 10 HDEE CN(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1503405361 VDXBYXJAALYAFZ-GOSISDBHSA-N 411.510 1.315 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C)n1 1504883424 AFZLBRUVBPPELJ-UHFFFAOYSA-N 411.510 1.827 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(C)noc1C 1504999724 OSRWDWRUZXPODS-JKSUJKDBSA-N 404.471 1.578 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1csc(C)n1 1505000092 PKLXXPAWRFSJLE-XJKSGUPXSA-N 406.512 1.739 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507563836 JHPNMEMZVWDGQS-FGTMMUONSA-N 422.551 1.368 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@@H]1CC 1507576134 KSKWUBGSGWXXDQ-KRWDZBQOSA-N 415.519 1.477 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507710612 INVBNPJVIGCZGA-CEXWTWQISA-N 405.543 1.367 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507828919 INEZQWUKKFCBIA-GOSISDBHSA-N 424.553 1.834 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507962014 KOTUWJSISSRCSU-INIZCTEOSA-N 405.524 1.865 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1508088061 VSUDCEFXIPOIRJ-QGZVFWFLSA-N 410.478 1.120 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](CC)C1 1508093486 IJYNBFICQJUAKR-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1508120862 BASHIAQRRDZGOO-IRXDYDNUSA-N 419.526 1.236 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517668544 DARFJXNJPXMCDK-HFUDNHEJSA-N 414.466 1.071 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC2(C1)OCCO2 1519161716 ALFIOFUHBFHNGB-HOTGVXAUSA-N 418.498 1.139 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1521685111 SLSWRQZJDGARHK-UHFFFAOYSA-N 414.441 1.631 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1 1524664686 OUTGYZHVGICVJD-UHFFFAOYSA-N 400.416 1.339 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCOC1 1525980901 XLNKXYKWYIFNKZ-HNNXBMFYSA-N 403.913 1.555 30 10 HDEE Cc1oc(C(=O)NCCn2cnc(C#N)n2)cc1CN1C(=O)c2ccccc2C1=O 1531966068 MEAIRAIXHTWNAG-UHFFFAOYSA-N 404.386 1.277 30 10 HDEE Cn1ncc(I)c1CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 1533073292 LBAGMUYOXUHCKD-CYBMUJFWSA-N 419.226 1.895 30 10 HDEE CCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(OCC)c1OCC 1538308630 NABOAXHVMGMWSL-YWZLYKJASA-N 422.503 1.893 30 10 HDEE N#CCOc1cccc(CC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1 1538903985 ACJYVMGFMWQOBX-BGYRXZFFSA-N 403.438 1.775 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](F)COC)c1 1539043688 TUHGHTDYEYTOSR-IAGOWNOFSA-N 415.469 1.823 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539119516 KMIKKJWSVWKQJM-INIZCTEOSA-N 409.556 1.494 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1539148706 NNVSBNVMVACPNX-MRXNPFEDSA-N 415.469 1.876 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)cc1 1539416889 UKZJJYSPHURPJB-IBGZPJMESA-N 416.547 1.817 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(O)c1 1539422463 CQLPTQSTDQSORH-HKUYNNGSSA-N 400.479 1.842 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H](OCC)C(C)C)CC1 1539460064 UQURSWWJQCDLLN-IBGZPJMESA-N 416.570 1.607 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539497664 NPRRTXHSHBGAMP-OAGGEKHMSA-N 423.539 1.303 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(C)(=O)=O 1539634557 BIHRXNKDDDHIBX-MJGOQNOKSA-N 419.551 1.726 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1539750545 ANQQNNOBQHKGIY-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1540862970 MMEBBVRUJXLYMQ-OLZOCXBDSA-N 416.448 1.599 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540866962 GOFWNBHAIANMRH-SFHVURJKSA-N 424.505 1.075 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(C)O)C1 1540889031 CQIGUPHLCGVQSH-CQSZACIVSA-N 403.483 1.948 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 1541632080 ZRZPXEYGHPVMFD-UHFFFAOYSA-N 407.478 1.325 30 10 HDEE C[C@@H](Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541863689 HOZRHPMBGKEJRQ-PZJWPPBQSA-N 424.549 1.903 30 10 HDEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1547031477 GPNZSONZTGQLCV-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)C)CCO1 1555388422 FYBBVPFBGHFFIA-SFHVURJKSA-N 412.494 1.583 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1557719230 UWNOCFUGHPMVNU-JOCHJYFZSA-N 421.432 1.787 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1nccn1C)C(F)(F)F 1558866085 FWURSZIDACLSSV-ZWNOBZJWSA-N 415.397 1.378 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCCOCCF)nnc12 1559020894 VYIJKEKLSAFQFQ-UHFFFAOYSA-N 405.455 1.425 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1 1563924377 DSIHXSLSPIITKV-FQEVSTJZSA-N 414.550 1.962 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1)C1CCOCC1 1565105279 FVSGIBCUSIYURN-MRXNPFEDSA-N 403.483 1.417 30 10 HDEE Cc1cc(CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1C 1565308902 SAZMKWLZYQTVMN-UHFFFAOYSA-N 406.494 1.843 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)c1 1568955755 CIAUASPAYUPBBO-AVRDEDQJSA-N 412.490 1.999 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)[C@](C)(O)c2ccccc2)cc1S(=O)(=O)NCC#N 1583462235 DYRZVEDREBIZRV-QRWLVFNGSA-N 401.488 1.823 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1585132245 NQMKMVKJAUFOET-LQWHRVPQSA-N 415.515 1.244 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1587869112 JZROOACABWJMQL-UHFFFAOYSA-N 406.494 1.391 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1587915874 UYRUKGZEPBHQPC-FGTMMUONSA-N 407.559 1.959 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1588049454 GQUMPEHKHBJPJZ-HZPDHXFCSA-N 405.524 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1588237823 FOOVFPKUHGFEHP-UHFFFAOYSA-N 404.396 1.405 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](COC)OC)CC1 1588837023 PLRNAXLIDKBMRP-LJQANCHMSA-N 417.941 1.939 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1595550638 GELKVOLIBDUEJO-SFHVURJKSA-N 421.505 1.282 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)C1 1595715277 URIDTRYSQRGKRI-LBPRGKRZSA-N 411.388 1.195 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCOC 1595830379 AUQXXRYUZPHFNB-HZPDHXFCSA-N 414.572 1.880 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCOC(=O)N2)c1 1596612548 WAZFNCQAZWZDAL-JJTVEENBSA-N 408.480 1.717 30 10 HDEE C#CCCN1CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1598457445 KWPZZSOBNXFEKV-UHFFFAOYSA-N 416.526 1.631 30 10 HDEE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613635415 MCHRVDJTKHZWGU-HOCLYGCPSA-N 411.466 1.189 30 10 HDEE CCN(CC1CCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1615545015 QYKQKROAQPTIDY-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1617487992 VFOAMZXIUUKUSU-LIRRHRJNSA-N 412.427 1.667 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1617824352 XLRNSQOSKVFSSN-LTRYHMRKSA-N 415.498 1.238 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1618794258 DASTZGOJUUOTBE-UHFFFAOYSA-N 421.505 1.448 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1619816866 ALKBZXHGVUZVSB-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CS(=O)(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1623847133 DRJUCNXNWDPLNN-UHFFFAOYSA-N 411.436 1.747 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 1626561442 QYVTZWPAIDHIQQ-SFHVURJKSA-N 415.446 1.273 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1627646089 HFYWGTPZPRJETA-UHFFFAOYSA-N 424.475 1.598 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1629068592 IWGLRIXWXMGQEG-QGZVFWFLSA-N 416.526 1.447 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cn1 1631473406 HSHDKLORTBDFOK-JOCHJYFZSA-N 417.513 1.831 30 10 HDEE C#CCN1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1634011814 VDURYWYIUNUGGW-UHFFFAOYSA-N 409.577 1.633 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)n(C)ccn12 1634973999 FIAUQYRVPBFTTC-GFCCVEGCSA-N 424.889 1.123 30 10 HDEE C#CC[C@@]1(C(=O)NCc2cn(CC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1636509935 JOUCSHGKQMGDKI-FQEVSTJZSA-N 404.467 1.378 30 10 HDEE C#CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1)C(=O)OC 1638826010 FROGQHFLIOYYMV-SFHVURJKSA-N 416.455 1.791 30 10 HDEE COC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)C 1639340104 KGONPHYLYZRYEN-OAHLLOKOSA-N 409.508 1.599 30 10 HDEE COC(=O)[C@]1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C)CC1 1640114022 QXCHZGBFPMPDPY-OYOVHJISSA-N 421.519 1.743 30 10 HDEE Cc1nnnn1-c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1641857757 GHEZTSZOZFOTHQ-UHFFFAOYSA-N 406.402 1.488 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OC 1643610009 BKZFSYKJUQOEOX-SSDOTTSWSA-N 410.066 1.427 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)C1 1643887922 GQDQRHVWUOSCHI-SFHVURJKSA-N 404.430 1.489 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)C1 1645270811 QOQUOWMMFOQSPB-KRWDZBQOSA-N 401.488 1.586 30 10 HDEE COc1cn(C)nc1[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1647662580 LGSMZIZLHAVZAB-IUODEOHRSA-N 410.434 1.383 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@H](O)C[C@@]2(C)CO)cc1 1647812455 ADRPKSKVDINCGP-VGSWGCGISA-N 412.490 1.731 30 10 HDEE C=CCCONC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1647926445 NJICGAWUSYXQJQ-UHFFFAOYSA-N 404.492 1.780 30 10 HDEE Cc1nc(SC(F)F)sc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028474 CETXLTUAUIXCPK-UHFFFAOYSA-N 413.431 1.526 30 10 HDEE N#Cc1cncc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 1652248566 HBSAMUBQNPDTFP-UHFFFAOYSA-N 403.420 1.494 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1653056399 BSIQAZRBMGWFJP-MGPWXQLLSA-N 406.483 1.666 30 10 HDEE COCCOc1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)ccn1 1654530614 CENNLCQJBWPQBP-UHFFFAOYSA-N 421.251 1.903 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)nn1 1655733329 WZCJEOXHPCIUBQ-UHFFFAOYSA-N 402.230 1.613 30 10 HDEE Cn1ncc2cc(S(=O)(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cnc21 1655845867 HXAXFWMFTRAGRT-UHFFFAOYSA-N 410.503 1.783 30 10 HDEE CC[C@H](Cc1ccc(Br)cc1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1656133344 GWZNKQFDCYWQPI-CABCVRRESA-N 402.314 1.829 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(Br)n2)c1=O 1656781952 IHUQLNDOFDPKPW-UHFFFAOYSA-N 421.251 1.429 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1660072497 NQURZZYTKOJOHO-MRXNPFEDSA-N 420.535 1.651 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NC[C@@H](O)COc2ccc(CC#N)cc2)C1 1660169712 AGPIZSRKPSPSRJ-XMSQKQJNSA-N 419.522 1.844 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)CC1 1660694290 OSSFEEMJDPQRPU-DFQSSKMNSA-N 418.582 1.778 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cc(Cl)ccc1OCCS(C)(=O)=O 1668948926 MLDMTQSLOGCJRF-UHFFFAOYSA-N 401.916 1.840 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 1671556899 FBGILLSDUAYIJI-IAGOWNOFSA-N 400.541 1.985 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c[nH]c3c(Cl)cccc23)CC1 1674898262 ZKJTWMGPXLDSEY-UHFFFAOYSA-N 423.926 1.159 30 10 HDEE C=C(C)COCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1678870287 MAWVQLZOJFRCOB-OAHLLOKOSA-N 419.544 1.303 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNc1nccc(C(F)(F)F)n1 1679129891 REDJRPINKJXTEL-UHFFFAOYSA-N 401.389 1.894 30 10 HDEE CO[C@@H]1COCC[C@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682725940 QOMKGTSURWIXOD-HNAYVOBHSA-N 412.494 1.609 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1683199917 GLUDLFORFSLDCW-BBRMVZONSA-N 412.309 1.571 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689964734 WATHVXMLBWSDTF-LJQANCHMSA-N 409.538 1.437 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1689984382 ONBDNVZPQFPLEH-OAHLLOKOSA-N 423.926 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC(C)C 1690023965 NSQAJBOSUWFONW-UHFFFAOYSA-N 420.564 1.034 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690052332 GBHHQOOBWBDYOB-IBGZPJMESA-N 417.579 1.755 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1690077152 JSVWTORPWVTOHH-QGZVFWFLSA-N 416.503 1.827 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(CCC)C2)CC1 1690132191 KKQPHSGFUVZYMZ-OAQYLSRUSA-N 424.597 1.627 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690170075 YISDDZKUKBHAIO-UHFFFAOYSA-N 422.580 1.500 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1690245898 OFZUCMCGFQTQOO-OAFZBRQQSA-N 423.514 1.603 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCS(=O)(=O)C1 1690268781 YHCZBWWNXDORFV-LJQANCHMSA-N 405.524 1.216 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)CC1 1690305818 IYDKLGWQTJNBTF-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1690508843 QSORREOMGIJLKO-KRWDZBQOSA-N 407.540 1.903 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(CC)n1C[C@]1(O)CCS(=O)(=O)C1 1690556397 VXMRYEKFFRAHJB-HXUWFJFHSA-N 420.535 1.591 30 10 HDEE COCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697998987 QBZQBBPECYKESE-UHFFFAOYSA-N 421.509 1.617 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1705478424 BCXRQUJLKGSLIF-XMSQKQJNSA-N 419.570 1.887 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1705500177 IHTMJZPTBXKLOO-LJQANCHMSA-N 408.550 1.626 30 10 HDEE C#CCCCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1705539346 PEVYJRGFDOWULM-DUXKGJEZSA-N 404.511 1.728 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1705578515 VVFLGHRXCDRBFP-UHFFFAOYSA-N 408.487 1.115 30 10 HDEE C#CCN1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCC)CC1 1705638582 PGALMCDYHMGACF-UHFFFAOYSA-N 401.540 1.403 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1705640002 BAEVRPPHEGNTOH-UHFFFAOYSA-N 408.485 1.423 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705726666 XYEKNLWHUFIFBG-UHFFFAOYSA-N 411.510 1.013 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705834775 RXARSDRXSTTWBA-JYJNAYRXSA-N 414.576 1.010 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCCO)C1 1705918373 IDMSXEYQZPDLBJ-PMACEKPBSA-N 412.538 1.968 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705945290 HCIXCTLEXKGSOK-LSDHHAIUSA-N 406.512 1.971 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1712181939 BESILOPMVNTCNF-GDBMZVCRSA-N 416.457 1.380 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1712541359 BCMKQNFTGVGYMO-AXVVYFOYSA-N 407.515 1.672 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)N1CCCC1 1719899654 CJKQOFLFMYLIJT-BCDMZGRMSA-N 404.511 1.021 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1722320817 LIOZOTOYFYRVGN-FQEVSTJZSA-N 414.535 1.775 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722366071 QRWJYBCOCUOJSR-HOCLYGCPSA-N 420.539 1.743 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)nc1 1722378245 RUOSAIWEQLOBDZ-UHFFFAOYSA-N 401.474 1.626 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1722397272 ILYAPURGNJEPIE-LJQANCHMSA-N 419.485 1.786 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCOC1 1722424924 FIVFPVFECASCNT-JOCHJYFZSA-N 409.490 1.674 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCNC(=O)OC(C)(C)C 1722425833 NWQUECDOBNNCSF-UHFFFAOYSA-N 414.510 1.875 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCO[C@H]1C(=C)C 1722427667 RKFRSVDSAXAJBY-XLIONFOSSA-N 401.511 1.468 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)CCOC)CC1 1722434665 WVWLLCABBJEEOD-UHFFFAOYSA-N 407.522 1.150 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@@H]2CCCO2)CC1 1722436547 IPKUMNPSWYSWJQ-VQTJNVASSA-N 417.554 1.861 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722439450 CHVSHNHWHSMVIM-GOSISDBHSA-N 422.524 1.342 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COC)C1 1722451240 HLISFKBEPWAKGX-HUUCEWRRSA-N 415.585 1.118 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722581040 RIIBPTSVSADQHL-KRWDZBQOSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(CC(=O)NC2CCCC2)CC1 1722699418 HYKUHDCNMSNKKC-UHFFFAOYSA-N 402.543 1.808 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722737149 VIXBNWAUGLJYIW-HNNXBMFYSA-N 422.555 1.710 30 10 HDEE CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729206427 WHDDHHFJVOTRIT-UHFFFAOYSA-N 416.507 1.515 30 10 HDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1729316349 GCOSDWWMPQSCKB-CVEARBPZSA-N 413.482 1.139 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1740547107 OKMIULLPUYCYII-CQSZACIVSA-N 412.523 1.478 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1740608584 HIHKEWYZXXIPLO-UHFFFAOYSA-N 421.505 1.659 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCO2 1740679084 YYOFVUCBTFAZJQ-UHFFFAOYSA-N 411.506 1.876 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1740751472 KOQSWUGZAWFUMP-JONQDZQNSA-N 413.544 1.095 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)CC1 1740825754 TXXIUMAVFYMOMV-MRXNPFEDSA-N 402.524 1.678 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740885591 KCIZVIDBTQCKOT-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ncnn1CC(F)F 1740957192 FHRJERYQDYHKQB-UHFFFAOYSA-N 417.424 1.135 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1740959148 LOUIALJPMNFUAW-HNNXBMFYSA-N 420.514 1.188 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740982714 ZLQYYOMJMFTKOD-INIZCTEOSA-N 405.524 1.512 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1743410976 XLJPJIZOIBMZAC-OAHLLOKOSA-N 408.466 1.687 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746283399 KZSVWJMJGNGRHZ-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748745534 NVPDCUKERSMWQQ-OAHLLOKOSA-N 405.466 1.285 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1748841963 CJFCNCRKQIFLTR-QRQCRPRQSA-N 418.457 1.207 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748926707 HYIVRQBDOLVYHL-RDJZCZTQSA-N 412.469 1.172 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[S@@](=O)C(C)(C)C)CC1 1748989691 BBOHOHXNQHSXAY-YMGMXPECSA-N 407.584 1.475 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCNC(C)=O)CC1 1748999378 SIYPTBOWXLIHNY-UHFFFAOYSA-N 424.549 1.755 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC(C)(C)C)CC1 1749001016 DWNMHQULNLPRIO-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749677250 SXYXLSIGTJFQOR-UHFFFAOYSA-N 422.489 1.265 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC)C1 1749711934 DLPTVLNMGDXSEM-MAUKXSAKSA-N 413.478 1.708 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H]2CCC(=O)N2)C1 1749715812 WAZGYNHRCWFRQZ-QZTJIDSGSA-N 411.506 1.937 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1749849601 LIKYSVKXSOVXNE-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H]1O 1750335628 GQUAUOBBAYDBBL-PBHICJAKSA-N 403.508 1.459 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)C[C@@H]1O 1750336397 XHHPWDRDRFUULU-BEFAXECRSA-N 406.494 1.785 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1751984274 YLRYFYRLAVBMJV-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCC(=O)NCc1ccccc1 1760217266 WHAVWAZQHOCHJY-UHFFFAOYSA-N 415.501 1.848 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1760260432 SAKZOPLCWXKJLJ-JOCHJYFZSA-N 421.480 1.537 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1760277594 AKBDEBKLLSSBAV-KRWDZBQOSA-N 413.547 1.841 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1760293888 HLWZEDUPSAGYBS-CSODHUTKSA-N 400.527 1.190 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C(N)=O)CCOCC2)CC1 1760381537 PUJDLECEBQEGBN-UHFFFAOYSA-N 418.542 1.635 30 10 HDEE C=CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OCC)CCOC1 1760444615 LUYOCFSWSBSYOT-NRFANRHFSA-N 414.510 1.553 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1760456796 XQJLARIAMFLSLI-HNNXBMFYSA-N 417.539 1.951 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)C1 1760543443 PDMPJNVTARPCEW-IRXDYDNUSA-N 410.540 1.554 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1760555229 AJPAMTFNOLWTME-WBVHZDCISA-N 420.539 1.458 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760565669 CDYGUDVPQMRIDA-MSOLQXFVSA-N 407.584 1.860 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1767424038 FBTSVIYKQQJSGA-CDHQVMDDSA-N 405.499 1.210 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CC(C)(C)O)cn1 1769006987 OAMGBMTUSBTIQV-UHFFFAOYSA-N 407.482 1.043 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)C1 1770732498 YYASVHLMIRXOFV-KXBFYZLASA-N 406.462 1.038 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)C[C@H]2C)n1Cc1ccc(C#N)o1 1771214899 GIJJDCVVRVCRHW-CABCVRRESA-N 416.482 1.572 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@H]2CCOC2)CCO1 1771537702 UAZLVNHMLWOFJQ-MOPGFXCFSA-N 412.494 1.436 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)c1nnn3c1CO[C@@H](c1ccc(Cl)cc1)C3)CC2 1850866271 HGNFSNBQABLCJF-QGZVFWFLSA-N 409.837 1.996 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4nc(Cl)nc5[nH]cnc45)CC3)cnc21 1852150529 GHKWPNDLMGVKNL-UHFFFAOYSA-N 421.852 1.727 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2csc(-n3cccc3)n2)C1=O 1854175357 NBWOGQNZEPXDHL-JKSUJKDBSA-N 413.503 1.394 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2sc(C)nc2C)C1=O 1854351749 JUQCZDBAMSBVLV-CVEARBPZSA-N 404.536 2.000 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC 1854401334 OMZQEUAPNHECFX-QGZVFWFLSA-N 419.503 1.310 30 10 HDEE CCOCC(=O)N1CCC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854424458 FWZZZFVLUMYBGM-SFHVURJKSA-N 400.479 1.598 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2nccnc2N2CCOCC2)C1 1855424286 NVWKWYFHYUETHA-QZTJIDSGSA-N 413.522 1.733 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccncc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855735810 UDRNSLDNBILFQD-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE CN(c1ncccn1)[C@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1856670529 DJDIIGWIFICUSV-MJGOQNOKSA-N 404.474 1.548 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)C4CCOCC4)C3=O)CC2)c1 1857032830 KUPBCNHWJRPRHC-LJQANCHMSA-N 412.490 1.598 30 10 HDEE CC(=O)C(C(C)=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1857034079 KWIHCESPBTZQER-HXUWFJFHSA-N 409.486 1.734 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)C2)CC1 1857043776 XNJLGZKQDHVKLO-RYUDHWBXSA-N 413.393 1.217 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2=O)C1 1857109297 JQRYMASQWYEPGP-AEFFLSMTSA-N 404.426 1.320 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)C[C@@H]3CCOC3)C2)CC1 1857397771 PTFYPVHTZQWNEI-ZWKOTPCHSA-N 411.506 1.267 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc([N+](=O)[O-])s2)cc1 1860736156 ZRGUZAFAWWNZBY-XVNBXDOJSA-N 409.445 1.245 30 10 HDEE C=CCNC(=O)[C@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861601546 XFACOLDOJXIDDC-ZBFHGGJFSA-N 401.463 1.413 30 10 HDEE CC(C)(C)OC(=O)NCCSCCS(=O)(=O)c1ccc(C(N)=NO)cc1 1879785150 LTSVJMZDXLLPCX-UHFFFAOYSA-N 403.526 1.813 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC(=O)O)Cc1ccccc1 1984875168 ZSTDNLCSJCUNLA-SFHVURJKSA-N 417.506 1.996 30 10 HDEE C#CCn1ncc(NCCN(OC)C(=O)OC(C)(C)C)c(Br)c1=O 1998964285 RWRFECIVLVCNGB-UHFFFAOYSA-N 401.261 1.849 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2029231161 RVKROYZPUVLLHH-UHFFFAOYSA-N 404.488 1.243 30 10 HDEE COC1CN(S(=O)(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2161945990 AXGRJSUHXYPENL-UHFFFAOYSA-N 402.709 1.627 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@](NS(=O)(=O)CC2(C#N)CC2)(C(=O)O)C1 2166293112 WIZKBYZOCYVDCC-PXAZEXFGSA-N 401.485 1.358 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CCS(=O)(=NS(=O)(=O)N1CC(C#N)C1)CC2 2174783308 AWQPKWLPZIOJJL-UHFFFAOYSA-N 418.541 1.328 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1(C)C 2174785754 CCFYFJGFXLESJS-KGLIPLIRSA-N 401.529 1.918 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)N2CCC(C#N)CC2)CCOCC1 2174786783 NHCGDESYZBXTSJ-UHFFFAOYSA-N 402.517 1.130 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN([C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 2234453414 PNNJOQHDEKCOJY-HRCADAONSA-N 400.545 1.682 30 10 HDEE Ic1cn(CCN=C2NCC3(CCOCC3)CS2)cn1 2237122149 CSGLCHSGMKGEMZ-UHFFFAOYSA-N 406.293 1.977 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243403183 SWEYIJBEECKBBZ-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856907 OQCRGYDEGUSGPY-TZMCWYRMSA-N 418.303 1.419 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2255653271 GRHWNPDCQVPRJD-IAGOWNOFSA-N 422.338 1.580 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3[C@H]4C[C@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2255826811 DITKWEDFRRNPIH-IRXDYDNUSA-N 422.338 1.959 30 10 HDEE N#Cc1cccnc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258181440 NUKCSZJOVJBJAC-AWEZNQCLSA-N 404.404 1.075 30 10 HDEE N#CCCN(CC1CCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270505739 KMQTWKYAEVTBKY-QGZVFWFLSA-N 423.491 1.712 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2SC(=O)C=C2C1)[C@@H](O)C(F)(F)F 2280098705 WXEJOPVMTFPJCN-ZMLRMANQSA-N 410.414 1.604 30 10 HDEE CC(C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCCN1 2282335464 PVWFRLXVDJRTRG-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE CC(C)[C@H](O)CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500042 UZVSYLLKHQYMHU-CQSZACIVSA-N 403.375 1.826 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1COCCO1 2282506748 WXXMUPCGHCWCGD-DGCLKSJQSA-N 403.331 1.130 30 10 HDEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@H]1CS(=O)(=O)C1(C)C 2282624357 LULXSZIYDYWMKC-NSHDSACASA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(CCO)CNC3)sc2Cl)OC1(C)C 2282626154 AGHQQGZEUKIJKQ-UHFFFAOYSA-N 400.737 1.403 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cscc2F)n1 2282829443 DZLZAVJBBQEWIY-UHFFFAOYSA-N 401.294 1.398 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@](C)(=O)CC3CNC3)c2)OC1(C)C 2282847892 GEBKNQDTXBKNLS-VWLOTQADSA-N 420.387 1.053 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCS[C@H](CCO)C2)OC1(C)C 2282870146 NPJICELMPYJVRG-GFCCVEGCSA-N 419.399 1.536 30 10 HDEE CC[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884161 KVOBPTIRNGSFQQ-LLVKDONJSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(C2=CCC[C@H]2NC(=O)CS[C@H]2CCS(=O)(=O)C2)OC1(C)C 2283943165 VHKRIHRJUJNGTP-GXTWGEPZSA-N 401.359 1.743 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NO[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284413548 ABOMCTAFFAUWQA-MRVPVSSYSA-N 405.303 1.347 30 10 HDEE C[C@@H]1CCN(CCNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2290355589 UCOVXOCXNPZOIG-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE COc1ccc(C=CC(=O)N[C@@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 2297487201 OXJSBIKBKNTFOZ-YCRPNKLZSA-N 401.463 1.811 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@@H](O)c1nn(C)cc1I 2361289131 YHEPBDGRDQTYCS-WCQYABFASA-N 405.305 1.935 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365170268 LGMOIHWGZAUNSW-KHYOSLBOSA-N 402.557 1.586 30 10 HDEE CC(C)(C#C[C@@H](NN)c1cc(I)ccc1F)S(C)(=O)=O 2365194469 RCGGVYHILOCWJP-GFCCVEGCSA-N 410.252 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]2CC[C@@H]21 2365201187 GGMXHNIKHLBWSI-MMMWYMCRSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1 2367803485 LMCSRUWJTRACLZ-BZUAXINKSA-N 400.541 1.475 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)CC2=O)c1 219944701 MDXWPVOBOJDZNC-RHSMWYFYSA-N 407.430 1.390 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1=O 410142367 OZVBFZIGYDDGPT-CHWSQXEVSA-N 424.479 1.285 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1ccnn1C 410292044 VZPUCEDYZCHWEA-RDTXWAMCSA-N 401.492 1.712 30 10 HDEE CCC1(CC)CN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCS1(=O)=O 428699294 HJHFLWDYLBEWOB-UHFFFAOYSA-N 401.492 1.756 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC4(CC#N)CC4)CC3)C2=O)n(C)n1 431199929 VFLJYXUXQWWOPG-KRWDZBQOSA-N 413.526 1.245 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2c(C(=O)OC)cc(OC)c(OC)c2OC)C1=O 439451535 MLWZTNJNDXXFBD-ZDUSSCGKSA-N 421.450 1.750 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 441749427 GANGKADLXOBQEX-NSHDSACASA-N 423.399 2.422 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 443008976 IKJZKULILHAQTB-UHFFFAOYSA-N 404.839 1.749 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)C2CC2)N1Cc1ccccc1)C1CC1 464395789 NNVRSQINGZDMJI-XSDIEEQYSA-N 405.502 1.856 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)ccc21 471055063 FMXXJCIRGCCIPQ-UHFFFAOYSA-N 420.473 1.253 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCc1nnc2ccccn12 481218867 AZBLQVBSUBECIU-AWEZNQCLSA-N 412.475 1.017 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(-n4cnnn4)cc3Cl)C2=O)cc1 489220885 QJNJVAQOLCFSRJ-GOSISDBHSA-N 421.848 1.718 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 502496305 IBBPYPLGWHYDIO-IBGZPJMESA-N 406.483 1.619 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CSc2nc(O)cc(C(F)(F)F)n2)CC1 502856207 OUYBQVQIPXYWCY-NSHDSACASA-N 403.430 1.985 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503739753 SYGFPJKXDHVVPH-GOSISDBHSA-N 413.455 1.819 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@H](C(=O)N[C@@H](C#N)C3CC3)CC2=O)cc1 505966591 SNSVCFZMQBAXIU-QAPCUYQASA-N 418.519 1.488 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1nnc(-c2ccccc2)n1C 506912733 WIIFLBYEDUXSMZ-UHFFFAOYSA-N 422.474 1.691 30 10 HDEE COc1ccc(S(=O)(=O)NC(C)(C)C)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 541255404 RVMIUEWFGYWLPT-NSHDSACASA-N 406.468 1.435 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](CO)c2cccc(Br)c2)CC1 541985398 WGMROZQQLPMIKJ-MSOLQXFVSA-N 423.355 1.764 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC[C@@H]2CCCCO2)CC1 546190302 SBNCIGLPAQVCOZ-SFHVURJKSA-N 420.535 1.923 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cc(I)c[nH]3)CC2)n1 546906193 OYRQOARBWHNHMM-UHFFFAOYSA-N 407.215 1.848 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 560977398 CLRJSNXPZRIHBH-INIZCTEOSA-N 418.523 1.033 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 566331898 WLUVODOBLODWJS-ZFWWWQNUSA-N 423.543 1.615 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNCc3nc(C#N)cs3)cc2)CC1 575166847 VWCGOUWDSGRBDE-UHFFFAOYSA-N 413.547 1.890 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)CC2)cc1 609147038 GEVFLMYFPRHIFF-UHFFFAOYSA-N 415.471 1.654 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 728572756 BZXJCVZRRPKPPM-UHFFFAOYSA-N 418.295 1.366 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)[C@@H]1CCS(=O)(=O)C1 729333991 FJFZLROGHBUOBW-GFCCVEGCSA-N 412.393 1.549 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730144850 SCUJBCWKEMTUCB-WQVCFCJDSA-N 417.535 1.193 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732466188 MNHITPASALMEMW-MSUUIHNZSA-N 421.498 1.554 30 10 HDEE C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732647627 HHBFTOBGGJIZEM-KSFYIVLOSA-N 407.474 1.184 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1C1CC1 732665056 UGEKUHFNWNWNTE-NHCUHLMSSA-N 403.486 1.621 30 10 HDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)n1 733888607 ATZYCYSLSHRRTI-RLBWVDARSA-N 411.462 1.484 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccnc(C#N)c2)[C@H](C)O)cc1C 746954814 RSGWCWKFZDWTAO-KBXCAEBGSA-N 403.460 1.341 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1C#N 747071856 WDKGHXUKKWLOPP-UHFFFAOYSA-N 416.455 1.786 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OC2CCN(c3ccncn3)CC2)c1 752582220 RHVLZXNLQMQYEA-UHFFFAOYSA-N 402.476 1.767 30 10 HDEE Cn1nc(Br)c2c(=O)n(CCS(=O)(=O)c3cccc(C#N)c3)cnc21 753913342 BTCMZAHFLBYMEH-UHFFFAOYSA-N 422.264 1.238 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2)C1 760302018 QLOUUTXEFXGGIG-HUUCEWRRSA-N 403.508 1.558 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cn1 772310994 IYIQXUDELBVRQF-CQSZACIVSA-N 410.499 1.116 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c2ccccc12 777972077 PVECZHYJLGETJM-OAHLLOKOSA-N 420.512 1.609 30 10 HDEE C[C@@H](OC(=O)c1cccc(F)c1C#N)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 778368679 AYPXZRIXUFFZJN-VXGBXAGGSA-N 419.434 1.767 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)C2=O)n(C)n1 780399194 WUBCNGKTXRHNLJ-IBGZPJMESA-N 423.477 1.826 30 10 HDEE COc1ccc(O)cc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 781275629 KPRJELSLYYRETE-UHFFFAOYSA-N 400.391 1.075 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NN=Cc2c(Br)cnn2C)nc1 782200659 UVDHYCVABGDPES-UHFFFAOYSA-N 401.290 1.710 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3C)C2=O)n1 788331000 KIRGSWYFKFFDTO-LJQANCHMSA-N 424.457 1.303 30 10 HDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 789003906 AKBWWBCSCUHIDY-FQEVSTJZSA-N 411.439 1.612 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)n1 790104444 BAZWZYRCRYANKJ-KRWDZBQOSA-N 406.552 1.829 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(-c2cccc(F)c2)n1 793854379 GQWIXZCIURBULJ-UHFFFAOYSA-N 415.406 1.231 30 10 HDEE C=CCN1CC[C@H](OC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)C1=O 798638556 SSTBYJSKUCQYBA-KKSFZXQISA-N 415.446 1.101 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 809722097 NAUKXLPSYUOXHS-JOCHJYFZSA-N 420.554 1.402 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1occc1COc1cccc(C#N)c1 811136490 DNJIRZALMZNQGO-UHFFFAOYSA-N 420.443 1.989 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(F)cc1 812964786 UCIJMMAFKFHMTR-QGZVFWFLSA-N 418.450 1.738 30 10 HDEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N[C@H]1CCCN(O)C1=O 816756691 CHPMKWPMXPSWMA-AWEZNQCLSA-N 411.384 1.942 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3)c2=O)cc2c1OCCO2 839092967 KYWBTOKEMBCLFF-UHFFFAOYSA-N 417.446 1.705 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)CC2)nc1 918745992 NACGZNPCVFVMGB-UHFFFAOYSA-N 402.867 1.765 30 10 HDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=C(C)c2ccc3c(c2)OCO3)n1 1084536137 OJHIERLOBQTFPN-UHFFFAOYSA-N 406.424 1.734 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1132356940 ZEOXZBUYOJISSQ-UHFFFAOYSA-N 415.490 1.776 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCOCC3)C2)C1 1135418619 OIYUDMAGOKRDJA-BQIYRTECSA-N 406.527 1.612 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2nnn(-c3cnn(C)c3)c2C)C1=O 1139677480 OORMWIDXNQYDJT-LJQANCHMSA-N 416.486 1.625 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)C1=O 1139684879 UVHXDGLVKKXOQN-LLGFUMIMSA-N 424.542 1.568 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(CC#N)cc2)C1 1143220334 JGVVXHLBTLYYQD-SFHVURJKSA-N 415.519 1.810 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 1146206091 DWLHFSILSYRQHM-QFIPXVFZSA-N 403.482 1.594 30 10 HDEE C[C@@H](CC(=O)N1CC(Nc2cccc(C#N)c2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1149468641 CBFLJGVPHFENPM-AWEZNQCLSA-N 423.498 1.698 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3cc(C)no3)CCOCC2)cc1 1150428305 CKMFYVSNLCCICW-UHFFFAOYSA-N 405.476 1.883 30 10 HDEE C#CC[C@@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC 1161364488 DJNFOMPDIDPOFY-MRXNPFEDSA-N 402.447 1.050 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccnc(-n4cncn4)c3)ccc2c1=O 1161727727 VYPVIWBCGIGPNY-UHFFFAOYSA-N 419.470 1.777 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1164672510 LJQVPTOIVPFEPZ-GFCCVEGCSA-N 408.398 1.144 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](C)c2nc(C(=O)OCC)n[nH]2)CCCN1C(=O)OC(C)(C)C 1166125857 FCXDMKWJQSPPHO-ZUOKHONESA-N 419.482 1.952 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1174793207 UHZFKQIZROFWKC-UHFFFAOYSA-N 419.466 1.967 30 10 HDEE N#C[C@]12CN(CCCCCn3nnc(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1198328308 SSDPIZJESVCRJM-PKOBYXMFSA-N 400.508 1.381 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(F)cc(Br)cc2F)CC1 1211638694 KHIWTBHTOCSSGF-UHFFFAOYSA-N 421.263 1.877 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1CN(C)CCN1C 1213799314 AXURGYYQTNCKOV-IAQYHMDHSA-N 401.330 1.233 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)CC1 1225502840 RJYAMTQYVORFEY-KRWDZBQOSA-N 406.552 1.538 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCC[C@H]2Cc2ccccc2)CC1 1226600498 SORXJOZPSUBLPL-PMACEKPBSA-N 418.563 1.583 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H](C(C)C)c3ccccc32)CC1 1234409058 VSMMRTNRUZCMBY-OALUTQOASA-N 404.536 1.666 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1251164776 KBGQJTFIKMQAGF-OCCSQVGLSA-N 423.520 1.051 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1254756094 VQNOOTVJKJFQAI-UHFFFAOYSA-N 422.551 1.967 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1280419923 IMSJHBNDRBFRJU-UHFFFAOYSA-N 417.325 1.811 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1286399428 GVQVGJUFFUGGPJ-KRWDZBQOSA-N 414.535 1.297 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@H](F)C2)CC1 1286471942 BRQPWUHRJQIXKS-WFXMLNOXSA-N 405.518 1.824 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccnc2)CC1 1286473131 PDTPOKJZRTZFIE-JOCHJYFZSA-N 410.522 1.323 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1286504046 HYTKUDBXFGVFFM-ROUUACIJSA-N 416.595 1.908 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)CC1 1286651492 GCAPOMWOCHADAX-CYBMUJFWSA-N 408.503 1.873 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286710540 ZQFIKCYOIDMHLL-SJORKVTESA-N 416.526 1.413 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)OCO3)C1 1286799347 UZSRUHSDWSZECR-MRXNPFEDSA-N 413.478 1.975 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1288982312 SPEAQGMCQLVAKU-IGCQWYOMSA-N 409.494 1.887 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)C 1293215367 DOWWKHPMKHBQQO-QGZVFWFLSA-N 409.494 1.446 30 10 HDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CCNC(=O)c1cc[nH]n1 1298850109 HGRWFPVSTZNEQW-UHFFFAOYSA-N 407.482 1.567 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300482673 GWSVVSKVBKCTAR-OLMMMNRUSA-N 408.524 1.138 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CCS(=O)(=O)C1 1300482784 HBMXERRXIIZSIP-CABCVRRESA-N 419.473 1.097 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1300495219 FPGHPQQMQCNTIB-INIZCTEOSA-N 423.583 1.410 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1300673695 VRTSAKXJJUUINA-QFIPXVFZSA-N 424.505 1.408 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN(C)CCCOC)CC1 1300692674 LGCCDXTUTMOGKM-UHFFFAOYSA-N 414.529 1.808 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300754169 KTGTXIJLAOGOTH-HNNXBMFYSA-N 402.524 1.927 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1300761368 BUHCAZPNEVKFND-LPHOPBHVSA-N 424.592 1.554 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1300989397 ASTUJBXFHPMWBE-PXNSSMCTSA-N 424.567 1.780 30 10 HDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N2CCOCC2)CC1 1301129359 PEMPPNHWOJAFOJ-UHFFFAOYSA-N 416.551 1.895 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)c(=O)nc1O 1301210713 DNQDDLCSPRUORT-UHFFFAOYSA-N 424.438 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301489989 JGQGCHZNDBGMRB-LJQANCHMSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCOC(C)(C)C1 1301510072 SKACDDRASKAIID-UHFFFAOYSA-N 418.523 1.187 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CC)C1 1301558215 UDXHIIHDDHZWIO-FGTMMUONSA-N 423.583 1.446 30 10 HDEE CC(=O)Nc1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)c(C(F)(F)F)c1 1307378356 CMAIWIRCPBFRHX-UHFFFAOYSA-N 423.351 1.343 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccccc2)c2nccs2)c(=O)n1C1CC1 1307383600 GNJPWICGNBADDR-GOSISDBHSA-N 421.482 1.887 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCCCN3CCCCC3)CC2)o1 1308040812 WGCKCKQBNRSPKP-UHFFFAOYSA-N 402.543 1.701 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2c(Br)ccc(OC)c2F)CC1 1309102437 DTRFABFZQFIHBR-UHFFFAOYSA-N 405.289 1.926 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2CCC(S(C)(=O)=O)CC2)c1 1309862696 DHDYZTUZTXSGQG-UHFFFAOYSA-N 414.549 1.484 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 1312998639 IXJCRJMLKKVAJS-GOSISDBHSA-N 404.536 1.621 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1314920215 MOSMZXCAOIMWSI-JOCHJYFZSA-N 421.505 1.500 30 10 HDEE N#CCc1ccsc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1352992110 DAWCZECELAYZDT-INIZCTEOSA-N 412.519 1.840 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1358881906 PBTCXRYUYSXYFW-AWEZNQCLSA-N 404.492 1.609 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358956714 JVGJWIAAAMYUBY-GGPKGHCWSA-N 421.611 1.971 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(OC)C2CC2)CC1 1359043915 NRDMBJKVKJGMQR-QFIPXVFZSA-N 423.521 1.516 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1359062352 FCXXAOOMLDMODX-OXJNMPFZSA-N 419.551 1.474 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1359238701 ULWPEWBEQUKNBM-KRWDZBQOSA-N 412.494 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](CC)C1 1359297046 CHULBGCNNLRMLK-QGZVFWFLSA-N 415.542 1.133 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359330110 HIYGVTMHJZBHPF-RDJZCZTQSA-N 405.524 1.802 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(F)cc(N3CCOCC3)c2)n1 1436121597 RQPPWYXGIKOEIS-UHFFFAOYSA-N 400.454 1.781 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NC(=O)Cn1cnnn1)c1ccc(-c2cccc(C#N)c2)cc1 1447586786 IDJSPYGZJBSITD-LSDHHAIUSA-N 403.446 1.594 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1448230893 VIGGYFRQJAIFLG-HUUCEWRRSA-N 403.545 1.763 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1CCNC2=O 1451428274 QXFREYIYCVHMKH-UHFFFAOYSA-N 412.471 1.430 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2N)[C@H](C#N)C1 1465696574 LCJNBFKYOIDOPC-GFCCVEGCSA-N 408.480 1.257 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)n1 1467716063 NTBWUUXPPGROEU-UHFFFAOYSA-N 413.482 1.562 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@@H](O)COc1ccccc1C(F)(F)F 1469507151 GADAHNCLNXTYBI-CYBMUJFWSA-N 424.441 1.687 30 10 HDEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1469520996 XXLUBTBTEPZIEF-INIZCTEOSA-N 420.531 1.976 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c(=O)n1CCO 1473079167 PYGZDPIOGLFTBN-XJKSGUPXSA-N 409.364 1.365 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCOC2(CCS(=O)(=O)CC2)C1 1473889094 PYMMFNAEHXGCPX-KRWDZBQOSA-N 405.520 1.601 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1503754061 KGPTWAXWIHVMJT-OAHLLOKOSA-N 405.462 1.739 30 10 HDEE COCCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1504749033 WMWRRERCMDDQOX-ULQDDVLXSA-N 407.515 1.794 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507591831 NWSSHFNLLHWMHU-CYBMUJFWSA-N 420.457 1.487 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1Cl 1507617031 QIUCVKAKNMLZLL-LIRRHRJNSA-N 422.938 1.811 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1507617277 RSYUATUYGFFAQK-CBZJRKILSA-N 420.560 1.176 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1507820868 OQJKKBGTFSKHDD-SFHVURJKSA-N 423.583 1.841 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1507981326 JVAJLYPRUXVPID-KOHRHEQBSA-N 409.556 1.814 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@H]1C 1508135449 IOEMKVVAXLFGCX-OAHLLOKOSA-N 401.492 1.643 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1518371353 OHWINTUZHUIGSO-GOSISDBHSA-N 422.486 1.335 30 10 HDEE N#CC1(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)CCSCC1 1518836584 CXTOFSXRDBHECC-UHFFFAOYSA-N 402.520 1.724 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)n1 1518992568 ARRGKKMPVFLCLG-UHFFFAOYSA-N 411.466 1.796 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1521115537 XQTNPRPSYSOZAF-QZTJIDSGSA-N 415.542 1.206 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539119762 MXWNAOIASQELES-QZTJIDSGSA-N 402.543 1.232 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539230629 JKOJACLSDPQPEB-HNNXBMFYSA-N 407.496 1.094 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOC)C1 1539626898 HAWADMGUJUVEHT-AOIWGVFYSA-N 414.510 1.958 30 10 HDEE CNC(=O)CN1CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540638636 GPHPRZBGGUCDBY-INIZCTEOSA-N 409.531 1.290 30 10 HDEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540662256 FJHHYCTWGRUMDY-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1543308536 FAGWPVPCHNEBNP-VBKZILBWSA-N 400.458 1.464 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 1543820350 DHSLLZSFLIRQOU-LLVKDONJSA-N 400.298 1.722 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1544469725 PAOOCXDZPNYKFB-KHPPLWFESA-N 405.454 1.622 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1545147778 CMTZWIAPFVAGDE-KPOBHBOGSA-N 419.432 1.978 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cccn1 1545877589 GXTBFHIILHXDPE-IBGZPJMESA-N 402.478 1.925 30 10 HDEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1554195793 HKIOHIJZMNLTTN-UHFFFAOYSA-N 417.520 1.459 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1558511745 YGHMYFSGYOPVJD-FTRWYGJKSA-N 416.503 1.327 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 1558719193 ZOMQGLHEWQFGOP-JYRCXFKTSA-N 405.520 1.407 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1c(C#N)cccc1[N+](=O)[O-] 1559367721 SOSQPJPVHCYMJP-UHFFFAOYSA-N 402.388 1.673 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1561717784 CXHLRFJIMBLDTQ-ZDUSSCGKSA-N 422.956 1.423 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCC1 1562081443 VVOOWHTYROZOLZ-UHFFFAOYSA-N 407.492 1.784 30 10 HDEE N#Cc1csc(CNC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 1565410335 RJAVNPASOLNQKB-UHFFFAOYSA-N 411.534 1.729 30 10 HDEE Cc1ccc(C(=O)Nc2cc(Br)nn2C)cc1S(=O)(=O)NCC#N 1569459203 UVPPEEDOXNDUKK-UHFFFAOYSA-N 412.269 1.545 30 10 HDEE C[C@@H]1NC(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)=NN(c2ccccc2)C1=O 1570830935 GYRPMHUKRGBNLS-JXFKEZNVSA-N 416.485 1.934 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1583820946 QRIHYAOJYVWUGF-UHFFFAOYSA-N 405.476 1.296 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CCC3)cc2C1=O 1584492182 MEBUGVVSGHXVBI-QGZVFWFLSA-N 402.472 1.508 30 10 HDEE N#Cc1cn(CCNC(=O)c2nccc3c(Br)cccc23)c(=O)nc1O 1585295767 LZMFUGXTRHZSBT-UHFFFAOYSA-N 414.219 1.561 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21 1585296924 NSVRSBOVSQBWQC-MIONNMTNSA-N 416.275 1.977 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(SCCN3CCCC3)cc2)C1=O 1585314526 HJGLLLLSZXBXIJ-UHFFFAOYSA-N 416.503 1.790 30 10 HDEE Cc1ccc(C(=O)Nc2cnn([C@@H]3CCCCO3)c2)cc1S(=O)(=O)NCC#N 1585850446 GJQGGMWPAZDFQT-KRWDZBQOSA-N 403.464 1.945 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587638683 GUXPNFMHJQGIBA-XSLAGTTESA-N 415.517 1.586 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc21 1587801975 VVQJCYMKHAOGGZ-UHFFFAOYSA-N 414.443 1.253 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCC(=O)N(C)C 1588025121 SRRMYCWHNHQYNY-IYBDPMFKSA-N 418.542 1.987 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(OCC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 1588034394 FJTBDKVZYMFPMU-GOSISDBHSA-N 415.519 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCOCC1 1588238505 YLFHBTAPLROKBQ-UHFFFAOYSA-N 423.492 1.720 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCCN2CCC[C@@H]2CO)CC1 1588856847 CQWSKQFGTNVKNO-HXUWFJFHSA-N 400.571 1.223 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1595251832 XWEDCVGFXKDRQV-UTKZUKDTSA-N 414.510 1.124 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOC(C)(C)C2)C1 1595722965 PJPVNMRIZCJCHV-QZTJIDSGSA-N 405.543 1.674 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O)C(=O)OCC 1596777753 LAHUDESIXVVTEL-NMRSOGARSA-N 413.902 1.924 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CC[C@H](COC)O3)cc2C1=O 1611079040 SOPUOUPIYMDGSG-LZQZEXGQSA-N 414.458 1.504 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1611307745 GEUMNOJQAMFYIZ-OAHLLOKOSA-N 400.458 1.605 30 10 HDEE COCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1619823024 YHVPLSVEKPXTHO-GOSISDBHSA-N 411.510 1.802 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@H]2CCCCO2)CCO1 1620354893 DPFKNZYWRIOVJP-BRWVUGGUSA-N 423.539 1.258 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1 1621609918 UOGLZZGNSQRUAY-HDICACEKSA-N 403.548 1.479 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1O)C(=O)OC(C)(C)C 1623644297 NQOSGTDSPUEPNN-KBPBESRZSA-N 404.467 1.737 30 10 HDEE CN1C[C@@H]2[C@@H](CC[C@H]2NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1623651927 FIVLCQMRNXLRNR-DFQSSKMNSA-N 416.547 1.415 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1623682946 XWWWHKMTXFZLQC-LSDHHAIUSA-N 415.918 1.918 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)Cn3cc(C=O)c(-c4ccccc4)n3)CC2)c1 1629268467 JPGIAVVFWSUGFJ-UHFFFAOYSA-N 400.442 1.978 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CCC[C@@H]1NS(C)(=O)=O 1630585559 PUGOGDQMYAKIPY-SOUVJXGZSA-N 416.544 1.408 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCO)CCOCC(F)(F)F)c1 1630932192 ADIYGIRWBVPNQG-UHFFFAOYSA-N 407.410 1.497 30 10 HDEE COCCCOc1cc(C)ccc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1631028399 PSEYQEFMYCHCBJ-UHFFFAOYSA-N 400.435 1.251 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CCO2)c1 1632183428 KYMHEXUGIPJTCQ-LJQANCHMSA-N 420.400 1.959 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1634461199 WSHYJZPUDHAFDR-ODIFPOPNSA-N 406.508 1.862 30 10 HDEE COc1cc2c(cc1OC)[C@H](C1CC1)N(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1634594778 DHUHURSAGJKQQH-FQEVSTJZSA-N 424.457 1.764 30 10 HDEE N#Cc1c(F)cc(CNC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)cc1F 1634801153 NWBJYPBFGVVWJM-UHFFFAOYSA-N 401.369 1.836 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1634866148 ZEZLBUOCIOZAGV-MSOLQXFVSA-N 400.328 1.575 30 10 HDEE C=C(CCN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1635000455 ZVVXPDJXONJKFG-UHFFFAOYSA-N 411.524 1.553 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1636913726 GPFBSSDUIOATKN-INIZCTEOSA-N 422.279 1.547 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)Cc1ccccc1F 1638423692 QNYROOFQTRLAHN-CZUORRHYSA-N 405.451 1.084 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)C(=O)OC 1638827334 TYPXGAJCBNWAKD-KRWDZBQOSA-N 404.444 1.361 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1cncc(C#N)c1 1638835493 OAEBYEBTYUAPKK-KRWDZBQOSA-N 403.483 1.625 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1c(I)cnn1C 1639961421 DCWLWKJIQHZDJY-CYBMUJFWSA-N 410.215 1.702 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(O)cc(Br)c1)c1cc[nH]n1 1640657718 GKSFOWIGMOINLA-UHFFFAOYSA-N 411.212 1.800 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CO)(NCC(C)C)CC2)c1 1641436340 NEPAEHHJNDBXNB-UHFFFAOYSA-N 406.548 1.696 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc(OC)c1OC 1641580259 LWXHYYJNMXBVHP-UHFFFAOYSA-N 424.457 1.637 30 10 HDEE CCOC(=O)c1nnn(C2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)c1C(F)F 1643355010 CDGUTFRWTZFUPE-SFHVURJKSA-N 411.409 1.876 30 10 HDEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CCN(CCC#N)CC2)cc1OC 1643821921 HMNLNGGKCWRUDU-HUUCEWRRSA-N 400.479 1.970 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1644042318 OSWYPNYEJQFXIZ-WKILWMFISA-N 406.504 1.825 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(=O)c1C#N 1648749948 HCCUYCAYVXEBDP-GFCCVEGCSA-N 409.284 1.674 30 10 HDEE CCOC(=O)CS[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1650765819 KPHLMEIYJFVCNU-ICFTUWFRSA-N 423.413 1.246 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 1654711050 NWBIQROJHHXUOW-OAHLLOKOSA-N 415.558 1.980 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nn1 1657604984 XEMWBZIKYPZTIC-UHFFFAOYSA-N 406.468 1.269 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C)C1CCOCC1 1657634185 GXIGIXDHEUHJED-MRXNPFEDSA-N 408.524 1.553 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)ccc1Br 1661962714 DPSCYGMIPHJBPD-UONOGXRCSA-N 419.322 1.661 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1663870451 CNEDWCXWXSLSLL-UHFFFAOYSA-N 420.417 1.130 30 10 HDEE COC(=O)[C@@H]1CN(S(=O)(=O)c2cccc(Br)c2C#N)C[C@H](C)O1 1664225454 HMBLYOQREDDVKM-CABZTGNLSA-N 403.254 1.272 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 1665020029 XWUCYSYSLNXDHF-VOTSOKGWSA-N 411.501 1.629 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OCC 1671199426 QRBVCFDJWKGFDV-AWEZNQCLSA-N 413.448 1.436 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1672601701 YDRBPYDDQRDUDV-HNNXBMFYSA-N 407.492 1.593 30 10 HDEE Cn1cc(C(F)F)c(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1680778994 PUYWWPODMALOTO-OAHLLOKOSA-N 402.405 1.830 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1)c1ccc(Cl)cc1F 1683517099 PYZBUWYVZVRHIH-INIZCTEOSA-N 416.906 1.723 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685136334 RLQQERVSVMBWEL-LSDHHAIUSA-N 419.544 1.037 30 10 HDEE C=CCN(CCc1ccco1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685668824 FLEVSPBWEFTKNX-NGEICVOHSA-N 424.519 1.919 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1 1686548132 DHBPHCCLBHNQEM-LJQANCHMSA-N 412.534 1.927 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1689980889 ZAFOMRZFMNJJDF-LPHOPBHVSA-N 406.508 1.331 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689986226 LELQYGNSFNMVEU-DLBZAZTESA-N 418.567 1.630 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(SC)CCOCC1 1690030562 YJPTVWOXUJMFDW-UHFFFAOYSA-N 403.552 1.791 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](CC)OC)CC1 1690113506 LMRVOBGPWBKWNU-WIYYLYMNSA-N 405.543 1.499 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(CS(C)(=O)=O)CC2)C1 1690693749 FXKUCJYCNZNRTN-INIZCTEOSA-N 419.551 1.890 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1691512676 NFWNZRMZBGTYFU-UHFFFAOYSA-N 421.505 1.400 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1693199931 GEWKQCQJBQLLLD-WMZOPIPTSA-N 411.510 1.346 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1 1696495938 JVOZRBXLRLUYIL-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1705497951 KTMWZZUYFKTJLK-MVZUJROASA-N 405.462 1.248 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1705508175 RHRASJJTGRBWHX-UHFFFAOYSA-N 416.526 1.049 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1705540242 RCYRSMKAKWLNCO-LJQANCHMSA-N 423.565 1.696 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705560446 KSLKURHNLDMHPB-DLBZAZTESA-N 407.584 1.687 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC(=O)NC 1705592237 SRMQOSVKKVLQLO-UHFFFAOYSA-N 401.474 1.934 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705612379 FXTFPWWLMFNMDK-HXUWFJFHSA-N 423.565 1.827 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(N)=O)C1 1705680613 DFJZONHKVBDILQ-NEPJUHHUSA-N 402.293 1.222 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)C1 1705708943 IVWQISTVRNYKPL-YWZLYKJASA-N 415.469 1.914 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1705905758 GBHDSLWZNALGMU-UHFFFAOYSA-N 417.583 1.536 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N(C)C[C@@H](C)C#N 1710899392 ICGOKWSSTOIDKW-AWEZNQCLSA-N 406.512 1.489 30 10 HDEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1710901060 GTQIUVBLXUGMME-INIZCTEOSA-N 410.544 1.241 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1722278433 QKTQKBVFHNKUFH-STQMWFEESA-N 409.487 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1722301919 OVXLRRCZQWDQNA-GOSISDBHSA-N 420.517 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722304016 TYKSEDQACISQDO-AUUYWEPGSA-N 422.482 1.004 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1722328984 ADDWYXBPUFTPTQ-UHFFFAOYSA-N 411.462 1.382 30 10 HDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722338123 MBUOQSJFJNYYBE-LJQANCHMSA-N 411.506 1.839 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCOCCS(C)(=O)=O 1722351555 OWVKMGVOYBGGFD-UHFFFAOYSA-N 412.462 1.278 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccccc1)OC 1722385829 PLZYOSVOGROADN-HXUWFJFHSA-N 405.502 1.731 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(=C)C 1722429443 RCMRIBDLVXGPOC-KZNAEPCWSA-N 422.551 1.247 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722522247 GMPZHNLYORQDNH-HNNXBMFYSA-N 407.540 1.743 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1722632029 FBMDVGWKDXQEPQ-HNNXBMFYSA-N 420.477 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccn1 1722697565 MFOUCCYZJHEYRL-UHFFFAOYSA-N 400.874 1.666 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2ccnn2C)C1 1722697709 NIJRRAGNKXWWHZ-INIZCTEOSA-N 408.510 1.703 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C 1722874012 GFDDLFDAQZUGFS-KBPBESRZSA-N 418.523 1.163 30 10 HDEE Cc1ccccc1OCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1724772092 GBLFABMGZMDHRI-GOSISDBHSA-N 424.505 1.907 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCC(=O)NC(C)(C)C 1730762778 LYVFQMYBADDWPZ-MRXNPFEDSA-N 406.531 1.843 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C)n(C)c1=O 1730817356 WDHSDDZRJANUEW-ZBFHGGJFSA-N 402.499 1.653 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1730850284 DZNJEGLWIXTRRJ-WAOWUJCRSA-N 420.558 1.853 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730975558 MLZPGQYYWNUICA-OSCRUYLVSA-N 408.462 1.697 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1740624220 GMNATGVKKAZYIX-KRWDZBQOSA-N 408.568 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740661374 ADXGVMJHHNEYJZ-ZDUSSCGKSA-N 411.478 1.869 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1740665759 OVVRPTOZXAEAJY-VFNWGFHPSA-N 400.479 1.962 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1740881075 WNJOXDCXDYQMAH-CVEARBPZSA-N 418.498 1.042 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2nn(C)c(=O)cc2C1 1740956672 XPPSAGUCSVVCRS-UHFFFAOYSA-N 423.452 1.043 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(CCCN2CCOCC2)CC1 1740961060 KEKNLGLPWWLAIF-UHFFFAOYSA-N 404.559 1.472 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1747356340 OWEROPIHMFFSKL-QGZVFWFLSA-N 423.477 1.326 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1747356630 VCAOZRUGEJQJEH-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1747426229 BCEXDHLCMUBIFN-QGZVFWFLSA-N 424.571 1.584 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCS(=O)(=O)CC=C)c1 1748691479 GFSPKENZTDQBLP-UHFFFAOYSA-N 401.492 1.244 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748814951 MAAIQQGZAZZCBM-LNLFQRSKSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1748822153 YYWBRUWQKFIEGK-SFHVURJKSA-N 417.535 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1748882271 MZYCNGUVFQUGMT-QGZVFWFLSA-N 412.515 1.851 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)C(C)C)CC1 1748986963 NRMUWKMEEHPSQI-OAQYLSRUSA-N 414.510 1.168 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1749129949 ISUKNWYICDKFFY-NCOADZHNSA-N 410.540 1.387 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(=O)NC 1749143036 CERYBPBEKRNGBK-ZDUSSCGKSA-N 400.549 1.063 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1cnnn1C 1749531436 KQSMKJFUKLFPRT-UHFFFAOYSA-N 412.461 1.976 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 1749574799 FQYSSGUNGFKTMF-DLBZAZTESA-N 423.539 1.135 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749664409 MSNPQFXYUIRELI-MRXNPFEDSA-N 414.510 1.360 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1749714891 ONRTUPMFIMOBKY-MSOLQXFVSA-N 417.535 1.480 30 10 HDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1749728653 AMSILTXBEOWOLI-LJQANCHMSA-N 424.505 1.887 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1751132432 GAPKNXQJZZIUQH-MAUKXSAKSA-N 416.551 1.638 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1760186823 AUDHTCPWCKLIKO-QGZVFWFLSA-N 418.567 1.632 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H](C)C1 1760202089 SBAKKGFNGPYWEE-QGZVFWFLSA-N 408.506 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1Cc1nnnn1CC1CC1 1760221152 LMNWRPWIENRUIB-UHFFFAOYSA-N 421.534 1.542 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccc1O 1760515479 VAJSNILWOQWQDN-UHFFFAOYSA-N 421.461 1.570 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2nccs2)CCOC1 1761290540 BIQVYICVEQPUTG-KDOFPFPSSA-N 404.496 1.552 30 10 HDEE CCc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764845033 ZKRJFNGYSUNRMR-PCYKQNFTSA-N 400.483 1.374 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1 1765508656 QOMWWZHOIKXYJT-PKOBYXMFSA-N 401.559 1.896 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C[C@H]1OC 1770298251 HLOMGTYTKJIGCK-KDURUIRLSA-N 407.478 1.954 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CCO1 1770749109 UMCJGMPFDDGDDQ-SJORKVTESA-N 405.524 1.799 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1771243569 ZGFUTSPVVYSZHP-RHSMWYFYSA-N 405.455 1.367 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCN2CC=CCC2)cc1 1771534407 AAGJXWWUKLRDFY-SFHVURJKSA-N 421.505 1.302 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC1 1771564423 IMQDLOBTBLPDSW-VLGSPTGOSA-N 422.449 1.052 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1 1772566636 OSANBYWOHNJEOG-QGZVFWFLSA-N 423.521 1.166 30 10 HDEE O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)ON1C(=O)c2ccccc2C1=O 1772789727 KDMLLFZDCBCPQT-NDEPHWFRSA-N 401.396 1.710 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2n1CCCC2 1849953193 BGXMLWRTARYFSL-CYBMUJFWSA-N 407.430 1.854 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCC#CCN3CCOCC3)CC2=O)cc1Cl 1850690755 DNNJJQWYGAOONG-HNNXBMFYSA-N 405.882 1.153 30 10 HDEE CN(C)C=NC(=S)N(C(=O)CCCN1CCS(=O)(=O)CC1)c1ccccc1 1851453058 IJTANGXWZBJGOE-UHFFFAOYSA-N 410.565 1.405 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852424968 FIGQKWBWFPCBPK-MOPGFXCFSA-N 406.442 1.974 30 10 HDEE CN1CCN(c2cc(Cl)nc(NC(=O)Cc3cc4c(cc3C#N)OCO4)n2)CC1 1852591373 LHENRAVGSXGLQQ-UHFFFAOYSA-N 414.853 1.663 30 10 HDEE N#Cc1cnn2cc(CCCOCCN3CCOCCC3=O)c(C(F)(F)F)nc12 1853360169 ZTFPDAYBMQORSB-UHFFFAOYSA-N 411.384 1.818 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@](C)(c2nc(C3CC3)no2)C1 1853544908 IDBIIXWXTBPUGM-FQEVSTJZSA-N 400.483 1.893 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O)c1ccc(Br)cc1 1854485549 OILMKBGYBAQZJZ-NSHDSACASA-N 414.281 1.077 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1C 1854486832 ADZIGNLEUXRPFN-UHFFFAOYSA-N 419.503 1.519 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3nc4c(F)cc(F)cc4s3)CC2)CC1=O 1854717609 VULIQAYEPUKTFL-GFCCVEGCSA-N 419.457 1.985 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2ccc3ccccc3c2)CCN1S(=O)(=O)CC#N 1854872122 BZFYOLJNCIATGY-AWEZNQCLSA-N 401.444 1.131 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1 1854942120 WOQDVPQQRPFCAI-WMZOPIPTSA-N 414.506 1.755 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)CSc3ccncc3)C(=O)C2)C1 1854956413 MOGAXIJWXGSCRZ-IAGOWNOFSA-N 401.536 1.611 30 10 HDEE COc1cccc(O[C@@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c1 1855028754 FEJRHAJLSAXJCK-DLBZAZTESA-N 400.479 1.121 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1 1855341608 DOYKMQKTPGNXSI-FQEVSTJZSA-N 404.474 1.231 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](Cc3nc(-c4ccncc4)no3)C2)CCC1=O 1855615704 KBKSCECUGGZIIC-JKSUJKDBSA-N 408.462 1.675 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(Cl)c3)C2)CC1 1855890163 TZYSGSGUSOGAAS-OAHLLOKOSA-N 424.892 1.813 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCn2cnc3ccccc3c2=O)C(=O)C1(C)C 1856767984 SBFAGRUTTKQVQX-MRXNPFEDSA-N 409.490 1.928 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1857024584 ULMLMOXYEVCHQO-SJORKVTESA-N 410.478 1.457 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CC[C@H]2CCCO2)C1=O 1857060876 WHCFYSGLNDSGKK-LSDHHAIUSA-N 405.476 1.815 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cncc(Cl)c2)C1)[C@@H]1CCN(C)C1=O 1857074850 RMBNWZCNQMTQIG-RHSMWYFYSA-N 404.898 1.833 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1857435984 RICOCDFUAMWWBL-MSOLQXFVSA-N 421.494 1.809 30 10 HDEE C=CCN([C@@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)C)S(C)(=O)=O 1872272105 GVSYFDQQKNZSHZ-LJQANCHMSA-N 408.568 1.849 30 10 HDEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1cnc[nH]1)c1ccc2c(c1)OCCO2 2033813847 WGUZIYQMDVONOO-AWEZNQCLSA-N 411.399 1.815 30 10 HDEE CC1(C)OB([C@]23C[C@H]2CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C3)OC1(C)C 2194158485 MOJSFKZKIMRGDO-IOASZLSFSA-N 405.347 1.062 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)nc1Br 2214363161 NMLRDNZMJVILNQ-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815219 YCXXQTGBCHSIPQ-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2247823139 MGZXZCBKQZLIOE-GXTWGEPZSA-N 420.319 1.694 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825304 BJOVKFVMMXNKLB-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)Cc1ccccc1 2247908310 RJJCVHFNKNFFHT-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247917963 MWIZIQMJCWQMSB-KWCYVHTRSA-N 418.303 1.447 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835658 POYMPAWSXQWPRQ-APWZRJJASA-N 424.354 1.970 30 10 HDEE C=CC[C@@]1(CN)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2259482458 FGTBXIIGJQAKTG-FQEVSTJZSA-N 405.520 1.620 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CC[C@H]3O)cc2Cl)OC1(C)C 2267353977 UBURDWBJLHHTDJ-MWLCHTKSSA-N 407.750 1.750 30 10 HDEE CCOC(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267412313 KVTOGUGYUHKFCM-UHFFFAOYSA-N 409.722 1.542 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC4(C3)OCCO4)cc2)OC1(C)C 2267417278 WRRAGXDJGZIPMO-UHFFFAOYSA-N 409.313 1.417 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCCO[C@H](CN)C3)sc2Cl)OC1(C)C 2281967687 ZVQLLYSVMMEMKL-LLVKDONJSA-N 400.737 1.891 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282302126 UOBITNKPUTZCQR-ZDUSSCGKSA-N 400.375 1.634 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC[S@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282305625 AYKMKRRIQFGOQN-VWLOTQADSA-N 401.359 1.293 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1sccc1Cl 2282330371 YRQPIERJRJFDQW-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)CSC 2282349685 BXZUYTOZXBDYSV-AWEZNQCLSA-N 401.359 1.642 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](F)[C@H](CO)C2)OC1(C)C 2282501428 WYBKZJQYDNCHHR-QWHCGFSZSA-N 405.322 1.139 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282508458 WQPJZZCAEYPVPC-RYUDHWBXSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282523334 XDHOBCWLJRALTB-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2282574146 KVXZOLTYROVJIH-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282627252 HBEFSOUAUCMJTR-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@@](O)(CO)C3)c2Cl)OC1(C)C 2282642315 LUOIYRRRXWNWAT-KRWDZBQOSA-N 401.721 1.660 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1F 2282829322 CRYYNKQINKXWEQ-VXGBXAGGSA-N 404.338 1.952 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282839359 CIZLVRTXGMZJLV-NDHGSNPTSA-N 422.403 1.019 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCNCC2)OC1(C)C 2282842725 CAWXWWMXGCCKNT-CQSZACIVSA-N 400.375 1.609 30 10 HDEE CC(C)[C@@H](C)[C@@H](N)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854740 VKTAHQDRYXBNOP-OCCSQVGLSA-N 402.391 1.945 30 10 HDEE CN(C1(CO)CCCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858387 WFRTYIUSHGMDGJ-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCO[C@@H]3CCOC3)c2)OC1(C)C 2282860386 ZETZJYYXEGPKAE-CYBMUJFWSA-N 403.331 1.131 30 10 HDEE CCN(CCOCCO)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282869135 XYMIMPVXQCWXAQ-UHFFFAOYSA-N 405.347 1.067 30 10 HDEE CCCNCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282872226 SKVCUVIJFZZDAF-UHFFFAOYSA-N 402.753 1.917 30 10 HDEE CCN(C[C@H]1CCCN1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282880981 PPPYFCMLOGRZSI-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C(=O)O 2284408016 RLDSJTJSJWGZJD-PWSUYJOCSA-N 401.315 1.389 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN=c1nc(Br)[nH]n1CCOC 2308042458 JCENXBTTZPGPBH-UHFFFAOYSA-N 404.309 1.992 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@](NCC#CBr)(C(=O)O)C1 2324773322 NMNPQSXVUGLSPW-IRXDYDNUSA-N 417.300 1.945 30 10 HDEE CCc1csc(C#C[C@@H](N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363969841 DXYYYLLHQAXGRE-UKRRQHHQSA-N 413.565 1.809 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)[C@H]1C(C)(C)C 2365171717 NKKMMKKUDKCMKL-KUHUBIRLSA-N 401.525 1.779 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365198518 GLJASAJSRRDUDA-VCBZYWHSSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CC2 2365203960 WFXULCVVMRIUHQ-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C 2365209369 FVUGQWCYRKEDHL-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367789373 SMMJCRXJJSAKMY-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)CN2CSCC2=O)OC1(C)C 2369907063 UVUOSWBIUOCZJC-UHFFFAOYSA-N 416.761 1.850 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2372806534 DZCLODVHEWJLME-HBUWYVDXSA-N 402.513 1.514 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CC1 23004349 JSWYCUNTBKQCIO-UHFFFAOYSA-N 422.533 1.608 30 10 HDEE CCN(CC)[C@H](C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 31825330 DAPQHVLFPBDNFG-MRXNPFEDSA-N 406.552 1.805 30 10 HDEE C=CCN1C(=O)N[C@H](c2ccccc2Cl)C2=C1CN(CC(=O)NCCOC)C2=O 35965332 WRTDXQLEHNQKDM-GOSISDBHSA-N 418.881 1.451 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCOc2ccccc2Br)CC1 55078506 QJHXYSXEDWYJHQ-UHFFFAOYSA-N 410.312 1.664 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Oc2ccccc2)n[nH]1 59888443 BFTKNWASXRUONF-VXLYETTFSA-N 415.479 1.754 30 10 HDEE COc1ccc(CSc2nnc(N/N=C/c3c(C)nn(CCO)c3C)n2N)cc1 59914453 PZBQDPNGZNJBFT-KEBDBYFISA-N 416.511 1.544 30 10 HDEE Cc1ccc(OCC#CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)cn1 90742435 XXJINKLJVVJIFB-HNNXBMFYSA-N 410.499 1.671 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C=C[C@@](C)(C[C@@H](OC(=O)/C(=C\C)COC(C)=O)[C@@H]12)O3 299806179 PVBVYSOUXOHMEA-SSZUQNKXSA-N 418.442 1.889 30 10 HDEE in-vitro CS(=O)(=O)N1CCC[C@@H](CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 438998705 IWSUIIWDVHSWOI-KRWDZBQOSA-N 404.536 1.880 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccnn1C 460955888 ZBHGXPWUECQMNM-OAHLLOKOSA-N 408.528 1.143 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)c1C#N 461188125 DHHZMFDYAGYJAS-QAPCUYQASA-N 410.503 1.586 30 10 HDEE C[C@@H](OCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)c1nccn1C 479858219 BQJKZUMIGRCJGC-OAHLLOKOSA-N 407.478 1.886 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(C#N)cn3C)CC2)cc1 481455824 TZMQIZHVTFZMRZ-UHFFFAOYSA-N 402.476 1.442 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 498372898 AYEGMBMMVDSTFU-KRWDZBQOSA-N 413.503 1.953 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(COc2cccc(C#N)c2)c1 522388624 CAFBQJOZIUZKEB-HXUWFJFHSA-N 420.469 1.604 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 525824269 GDHMBHUKPSFHQV-KRWDZBQOSA-N 401.463 1.576 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)cc1 531633308 BBHAMLGWNPKQIZ-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCS1(=O)=O 538352672 HYVVAEMSFSXQMN-GOSISDBHSA-N 422.526 1.044 30 10 HDEE CC(C)NS(=O)(=O)CCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542035726 PMVGGDXXTJOEPI-UHFFFAOYSA-N 410.887 1.847 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 552582450 LSLIPKSUXGXGMK-SWLSCSKDSA-N 415.475 1.502 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2nccc(OC)n2)CC1 554610627 UXLHFOSAMHOLTQ-UHFFFAOYSA-N 421.461 1.985 30 10 HDEE COc1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)sc1S(N)(=O)=O 564127112 DVNAJKDSYWVBLM-UHFFFAOYSA-N 409.489 1.565 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(C)nc2-c2ccccc2Cl)CC1 595381114 TUKZYQIUYQAQAB-UHFFFAOYSA-N 401.898 1.801 30 10 HDEE CC(=O)Nc1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 609920810 HRFQZFVJWDODFC-UHFFFAOYSA-N 403.439 1.562 30 10 HDEE C#CCN(C(=O)c1cccc(F)c1I)[C@H]1CCS(=O)(=O)C1 749822985 OHOIMGOSRFJXGU-JTQLQIEISA-N 421.231 1.693 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614335 LAJXZOUKJCQNMP-AUUYWEPGSA-N 409.508 1.638 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccc2OCC2CC2)c1=O 758076070 FCWANFNTLZVSOM-UHFFFAOYSA-N 421.522 1.359 30 10 HDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(O[C@@H]2CCOC2)c1 758753182 DJFVSBGLVNPZNQ-DVSFIDLUSA-N 414.462 1.488 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCc1cc(C#N)ccc1F 767617610 BBMQGLDOYHWUKM-HNNXBMFYSA-N 413.471 1.642 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 771631004 CLEVJWANFROMFJ-LJQANCHMSA-N 422.489 1.704 30 10 HDEE C#CCN(C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 774251842 KQGIOJQQAFDBBD-LPHOPBHVSA-N 414.531 1.944 30 10 HDEE C#CCN(C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 774263448 JPILNDFRCGYRFG-ADKAHSJRSA-N 416.503 1.475 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 778271346 CZCOMQDGWWRMNS-IBDYFIJFSA-N 423.517 1.099 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 780980775 BCICLNLRWIMFJW-SFHVURJKSA-N 402.495 1.846 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CSCCSCCO)CC1 783587664 SKCBTTVCOUISKX-UHFFFAOYSA-N 422.532 1.914 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)cc1C#N 785866389 RDZFACDCDSACQH-GJZGRUSLSA-N 402.495 1.187 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c(F)c1 786369300 FSXPUQBQPIANRO-UHFFFAOYSA-N 408.433 1.866 30 10 HDEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)Nc2cc(C#N)ccn2)c1 788844765 JYKDUKGYNCAJHM-SNAWJCMRSA-N 403.416 1.957 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)n1 789083942 YBQALAUIIBNDPQ-MRXNPFEDSA-N 400.458 1.487 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(F)ccc2NS(C)(=O)=O)n1 790105013 AUZJISZKRBVCBY-UHFFFAOYSA-N 408.455 1.316 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)n1 791012825 ICXXRAAUBCWCEN-UHFFFAOYSA-N 401.379 1.930 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(=O)(=O)CC)s2)n1 792218840 YCVYCDMWRPGDDB-UHFFFAOYSA-N 424.548 1.730 30 10 HDEE C#CCn1ccc(CN(CC)CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 796050755 RVDGWYPRCBOUCE-UHFFFAOYSA-N 403.527 1.808 30 10 HDEE COCCOc1cccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 802896487 SKLUVZDKOHBLFE-CQSZACIVSA-N 404.444 1.856 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c1 803848440 DERBOVWWWCNWFY-UHFFFAOYSA-N 410.455 1.938 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)ccn2)cc1 803848538 SPVWFGSHNSKGSC-CYBMUJFWSA-N 416.459 1.824 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2c(N(C)C)cccc12 810041857 DYPHDQAQGWEFAU-OAHLLOKOSA-N 406.529 1.717 30 10 HDEE COc1cc(CNC(=O)C(=O)Nc2ccc(Br)nc2OC)ccc1C#N 810452855 GWDOXCXEEKPNMR-UHFFFAOYSA-N 419.235 1.988 30 10 HDEE C#CCN(CC#CC)C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 813026286 RQBYIUPQUWPVGI-YAIJSEKYSA-N 412.489 1.951 30 10 HDEE CON=Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 827568208 MYJNICMMONNNLM-UHFFFAOYSA-N 423.516 1.679 30 10 HDEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2cnn(C)c2)n1 1084096075 LIJOBMJOBGMLIY-UHFFFAOYSA-N 400.468 1.401 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)n1 1084501338 OROHGZMLVPPEDC-UHFFFAOYSA-N 404.481 1.639 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@]3(C#N)CC34CCCC4)CC2)c1 1126285206 AEXRIJMOKIVCCU-OAQYLSRUSA-N 415.515 1.849 30 10 HDEE C=C(C)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1129193326 NCQYPXFZWNXXPY-UHFFFAOYSA-N 423.535 1.240 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1nc(C(C)(C)C)cs1)c1cc[nH]n1 1136719225 VZJYVMAWQUSBFV-UHFFFAOYSA-N 407.496 1.806 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CSc3ccccc3O2)c1 1143234848 WQEPYXJQYUQGQO-OAHLLOKOSA-N 402.497 1.881 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c1 1147102702 CHRFCQHRVGZONM-UHFFFAOYSA-N 401.488 1.458 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)Cc2csc(N3CCOCC3)n2)CC1 1147253961 CPSWXOWYZFLLMR-UHFFFAOYSA-N 403.533 1.804 30 10 HDEE C=C(C)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1153509732 JCJFPOZMWRPMJI-HNNXBMFYSA-N 407.492 1.519 30 10 HDEE CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC=CC1 1163848756 BGZSAPPFEQZTJL-YJBOKZPZSA-N 405.520 1.695 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCN=S2(=O)CCCC2)ccc1F 1163941217 BEVQGJJKGVQHLW-UHFFFAOYSA-N 403.501 1.282 30 10 HDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1167513733 IIPZUFRQNHIPAI-MSUUIHNZSA-N 404.467 1.419 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1170911644 CAFRCYGYJMNYPE-KBZZJAQTSA-N 407.467 1.110 30 10 HDEE CN1CCC2(CC1)CN(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CCO2 1171480417 SJCSFAMEUQLKDM-GOSISDBHSA-N 417.579 1.254 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 1175675923 QYPKNYPBYBLFDZ-QAQDUYKDSA-N 414.487 1.508 30 10 HDEE COc1ccc(CN2CCN(C(=O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1176609784 GCCNXSXRHBATKW-UHFFFAOYSA-N 413.518 1.677 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)nn1 1213354574 XMUDQRCAFOZSMM-UHFFFAOYSA-N 403.386 1.834 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(CC(=O)OCC)cs2)n1 1214150541 HUCJEABFFIACHL-UHFFFAOYSA-N 405.480 1.759 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1224033282 PTHGWAHOHIDKHA-WMZOPIPTSA-N 405.520 1.651 30 10 HDEE C[C@H]1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CS1(=O)=O 1230717044 DDKYLBNZKPOWHC-KSSFIOAISA-N 418.519 1.884 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1254555987 HCCRMPZNLRFANT-SFHVURJKSA-N 422.551 1.109 30 10 HDEE CCN(CCC#N)C(=O)CNCC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1269751859 OMKAKJFFFVPMKL-SIFVSHMBSA-N 402.539 1.390 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286394971 QIGNDKCWQNZSPB-ZWKOTPCHSA-N 422.551 1.225 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CCCO1 1286457550 RNJHUVBELYSJFX-RTWAWAEBSA-N 406.527 1.974 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1286606564 UQIYWASLDPBALF-QGZVFWFLSA-N 411.510 1.544 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1288352368 CIXADIRWJLHZKT-SFHVURJKSA-N 412.494 1.535 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCOC1 1291598207 ZIGWBCGTJNFNPI-LPHOPBHVSA-N 407.492 1.080 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC1 1297517195 NIKMEQPKYJGSMN-WMZOPIPTSA-N 408.543 1.065 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)CN1CCOCC1 1300267730 JDHWKJJVVATHTR-IRXDYDNUSA-N 404.559 1.623 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1300307582 GKNRYIZBWHOMBA-HIFRSBDPSA-N 404.492 1.401 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1300307813 IRTCAHXXHVDFFZ-IIBYNOLFSA-N 411.510 1.061 30 10 HDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300373065 OCNACIKDQSBDGO-QGZVFWFLSA-N 424.505 1.883 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccccn1 1300664971 WGDXYJZOUIPSBR-UHFFFAOYSA-N 408.462 1.730 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(C)noc2C)CC1 1300725676 JCAQQPFBLPZAIJ-KRWDZBQOSA-N 412.494 1.401 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300761196 ADIIWHUNDWBMHZ-UHFFFAOYSA-N 420.627 1.880 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CCOC)C(=O)C1 1300892443 SPMUGJSPRGYUPA-FXAWDEMLSA-N 403.527 1.507 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301147608 GNYCUPAECSHBKS-PMPSAXMXSA-N 400.527 1.794 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1301371880 UWSNDUPLWMDWRF-QGZVFWFLSA-N 411.510 1.825 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301500548 NKCROTDNPSICSI-ZGPJWRFFSA-N 419.526 1.247 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1301502271 FIHUCXPLSZSIDB-CQSZACIVSA-N 416.913 1.491 30 10 HDEE COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301843563 RMXLEFNMBNPLEK-FXAWDEMLSA-N 404.515 1.142 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccs1 1303012235 ACZNKPVIUBQCEH-CQSZACIVSA-N 406.537 1.815 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCC1CCOCC1 1303822352 AJPZJYWPENMRED-OAHLLOKOSA-N 424.571 1.835 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NOCCCC(=O)OC 1304129129 DGCLVDKEYUQGKM-CQSZACIVSA-N 411.480 1.285 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)cc1 1304130926 FDRZXQLPJZAGRD-SECBINFHSA-N 401.370 1.226 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1305222275 JVXZVSNHTCEBOE-QAPCUYQASA-N 414.535 1.534 30 10 HDEE CC(C)(CCC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1306868563 GUSLRKIMHKSUQQ-UHFFFAOYSA-N 409.508 1.853 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2C(C)(C)C)CC1 1311929638 ONIBFQDAJQIKEQ-UHFFFAOYSA-N 422.551 1.158 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cccn2C)n1CCCn1cnnn1 1314740646 ZFLRDYQXHNEQEX-UHFFFAOYSA-N 402.466 1.868 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)c1 1315560546 BGCJTBUCLXTIAC-NVXWUHKLSA-N 412.494 1.816 30 10 HDEE COCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1316267822 YUDYYRUEQZTGPX-YJBOKZPZSA-N 415.450 1.182 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nc(Br)c2ccccn12 1352234482 FCNNXZOUTIQWKF-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCC(O)CC1 1358940657 GRPNWIROFFMAAC-UHFFFAOYSA-N 421.343 1.952 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358956091 AEYVHWHSKVGTTE-WMZOPIPTSA-N 407.584 1.903 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1OCC[C@H]1C 1359019253 OJHLFKXUVSCQAB-OPYAIIAOSA-N 406.527 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCNC(=O)OC(C)(C)C)CC1 1359045755 RXZRJOLSVPFYHS-UHFFFAOYSA-N 418.542 1.721 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1359137106 FPNKJKWKSDVMDM-ROUUACIJSA-N 422.526 1.984 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359298201 QRQINUWFCWGJMK-IERDGZPVSA-N 412.494 1.417 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1359328314 ZRJRAHXLNCWAIZ-MRXNPFEDSA-N 423.583 1.662 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1[C@@H]1C[C@H]1CF 1360238165 VQQGEQWQLHFSIK-JKSUJKDBSA-N 412.473 1.540 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnn(Cc4ccccc4)c3Cl)C[C@H]1CS(=O)(=O)C2 1439617637 UPZPWSVFUNDSSD-KSSFIOAISA-N 404.879 1.595 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1444719788 CKHMKUQMMOJLTC-OAVHHTNSSA-N 414.890 1.517 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1452946832 HQYOHQSJTPSOAL-LJQANCHMSA-N 401.488 1.803 30 10 HDEE O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458000427 ISKZQOVHNIXLLR-HOTGVXAUSA-N 413.430 1.066 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCOC)C2CCOCC2)ccc1F 1462387752 LAPMPHNFJAFERF-UHFFFAOYSA-N 400.472 1.558 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCC3(CC2)CCN(C)CC3)cc1 1468423838 RUCTWYQKWFKREG-UHFFFAOYSA-N 403.548 1.983 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C)c(Br)cc1F 1475127804 FLYQPOVDLPAZNH-UHFFFAOYSA-N 400.291 1.776 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)C1 1479313901 RKNYAWJNNHVNBS-SFHVURJKSA-N 418.925 1.670 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1494642736 HRIHDOGCIRFRLW-BEVDRBHNSA-N 402.499 1.184 30 10 HDEE CCO[C@]1(c2nnc(N3CCNC(=O)[C@H]3CC)n2Cc2ccc(C#N)o2)CCOC1 1502729164 LRGPCJVQGXGQBT-OXQOHEQNSA-N 414.466 1.158 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1505046290 AXQYHTVZZHXPBZ-MSOLQXFVSA-N 410.478 1.195 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1507541059 FOAFHNAHMGECSR-CQSZACIVSA-N 402.524 1.596 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCSCCCO 1507612179 RHFNCKPNAOSXOS-UHFFFAOYSA-N 422.580 1.423 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCCc1ccccc1 1507623282 UNZCEEJBHQRKAU-ICSRJNTNSA-N 411.506 1.430 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCC)CC1 1507723763 TXMJJHJSDLPDQP-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507751717 QYZQHNMNQPBRJG-CABCVRRESA-N 404.496 1.418 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)CC)C1 1508115467 AJCJOICNDAIGST-INIZCTEOSA-N 420.539 1.369 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1519532508 VJAPUDQTDYCSHC-ZWKOTPCHSA-N 415.519 1.867 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)C1 1521055541 FYEBTRTTXKHNON-IBGZPJMESA-N 413.413 1.821 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1524834677 GMNNMVVHOXLLLX-ZBFHGGJFSA-N 400.522 1.814 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nc(N(C)C)ncc2Br)n1 1524968541 XNBSIUMNLJOPDJ-UHFFFAOYSA-N 421.299 1.424 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1 1525599386 MABUUYKDDKRIJU-SPYBWZPUSA-N 408.524 1.058 30 10 HDEE COc1ccc(C(C)(C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1529356306 WCTRDZVNDCRBID-UHFFFAOYSA-N 405.451 1.924 30 10 HDEE CCOC(=O)Cc1csc(N(CCN(C)C)C(=O)Cc2ccc(C#N)nc2)n1 1535405363 JMYIUYWRWZOLPR-UHFFFAOYSA-N 401.492 1.653 30 10 HDEE Cc1c(Br)ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1F 1538765027 DIWXXBXMPHCTCI-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1539013736 JRRVYKKNBCIEBB-AVGNSLFASA-N 408.446 1.606 30 10 HDEE C[C@]12COC[C@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1539183637 GZDACYHJVOWQHH-XLIONFOSSA-N 403.504 1.454 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1539215807 JJUYFRJRPNNFTR-MRXNPFEDSA-N 422.580 1.447 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1539215838 JVULGUCAFMOQHS-GOSISDBHSA-N 423.498 1.721 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1539218859 ABRBVPUJWRCHKD-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)CN1CCOCC1 1539251744 OPMRDOYCRDHGGZ-SFHVURJKSA-N 421.501 1.715 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539446809 JMNRPXITDCSIIM-INIZCTEOSA-N 420.439 1.999 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](OCCOC)C1 1539612796 QDGROOXGYZFZRL-BZSNNMDCSA-N 421.542 1.639 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)CCCS(C)(=O)=O 1539613017 SLDJMAXPGDTFKP-GFCCVEGCSA-N 407.334 1.909 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1540154864 FKSJRVAXYYLFEN-HNNXBMFYSA-N 420.539 1.122 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)OC)C1 1540901028 QSYQFROHWBXCNE-INIZCTEOSA-N 419.507 1.330 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1540922355 LWADZNUFDRHDJD-UZLBHIALSA-N 423.583 1.905 30 10 HDEE Cc1c(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)cnn1C 1542114079 VWULDTAFZLQRKH-OAHLLOKOSA-N 413.432 1.966 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)cs1 1542918313 HMXOWXRRPJTEQP-QGZVFWFLSA-N 423.568 1.313 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C2CCC2)CCO1 1555994553 XUONUBYVQIZGBV-DLBZAZTESA-N 402.499 1.207 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1557938956 WSHKFBVYQLEYLQ-KBPBESRZSA-N 418.512 1.035 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCc2ncc(Br)n2C1 1562012781 FSQYJXAAOVNULN-LLVKDONJSA-N 411.281 1.819 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1563793718 HUTLLTWPCBQNQQ-KRWDZBQOSA-N 407.536 1.787 30 10 HDEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1C(F)(F)F 1574694238 WFXCGMNAQUCAIR-DEQQHWRFSA-N 404.429 1.900 30 10 HDEE Cc1ccc(NC(=O)CSCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1585133129 YQVACZXIBCPIMT-KSSFIOAISA-N 407.517 1.064 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NCC#C)CC1 1587782813 DDGROHGLXDNMFZ-UHFFFAOYSA-N 421.549 1.909 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587838528 YPQDGFJTXZLWDJ-GHTZIAJQSA-N 423.565 1.686 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1587984563 FQWGKZLOAAVPRG-UHFFFAOYSA-N 408.510 1.048 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1588044642 AFDHFYKUJLLMJK-FXAWDEMLSA-N 415.519 1.128 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1588058746 BQGRGRBULMLYRS-IBGZPJMESA-N 416.547 1.841 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1NC(=O)CC1(C)C 1588673688 XETXLBGZTSUYKZ-MRXNPFEDSA-N 401.536 1.931 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccc(O)cc2)CC1 1588865642 ZNVUYEYVTMWYCH-UHFFFAOYSA-N 419.533 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NCCC)CC1 1588913773 QHOKHNABIHMGOS-UHFFFAOYSA-N 423.521 1.222 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2COCCO2)CC1 1594036838 YHNQEMQFMSPWQP-KRWDZBQOSA-N 418.519 1.920 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCC(C)CC1 1595297862 ZDGVCNMKXOCIAW-ZWKOTPCHSA-N 404.559 1.988 30 10 HDEE C=C(CCN(C)C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1595417350 BOUPZCFOQRTLBX-CQSZACIVSA-N 418.275 1.655 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCN(C)c1ccccc1 1595529614 AXVSBLBEABVIFN-UHFFFAOYSA-N 406.494 1.610 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](SCC)C1 1595569701 NIBAJYJYLKQVSN-INIZCTEOSA-N 420.583 1.815 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC[C@H](C(N)=O)C1 1595570118 YAKSCHRBOOMTHN-KRWDZBQOSA-N 421.505 1.285 30 10 HDEE CCN1CCN(CCCNC(=O)COc2cccc(Br)c2C#N)CC1 1595731105 USOWDKOUGJYNCR-UHFFFAOYSA-N 409.328 1.843 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)C2)nc1 1596978479 OSVXMLKXQDBPHG-MJGOQNOKSA-N 404.474 1.800 30 10 HDEE CC(C)C(=O)NCCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1598080254 KRAMQGBLXFXEKJ-UHFFFAOYSA-N 423.521 1.928 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@]3(CO)COC[C@@H]4CCCN43)n[nH]2)c1C 1607839132 XIVOQYYFMDCCMC-HRAATJIYSA-N 414.510 1.032 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)CC2)C1 1611534086 SSKBXBCJCKUWPH-UHFFFAOYSA-N 418.515 1.395 30 10 HDEE C#CC[C@H](COC)NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1611614051 HNSSHHAOLRESBI-CQSZACIVSA-N 401.467 1.111 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1611767516 OKOUHHQDGSKGJY-QAPCUYQASA-N 410.544 1.589 30 10 HDEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](O)C(F)(F)F 1626069722 HGMBLSHNLSEOAK-NHYWBVRUSA-N 419.425 1.387 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](NC(C)=O)c1cccc(Br)c1)C(=O)OC 1626208333 LYGVNRSYDUNEOP-HUUCEWRRSA-N 413.268 1.487 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](O)[C@H](C2CCCC2)C1 1626261282 IMZPVPYWOUJAFX-ZWKOTPCHSA-N 419.547 1.905 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1628332466 QHOZSCIRNZQGAN-QZTJIDSGSA-N 403.479 1.121 30 10 HDEE C#CCO[C@@H](C)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1630518423 OXMRVSZVPKTOQD-INIZCTEOSA-N 409.527 1.779 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccccc2OC)cc1 1634476752 SXKMIMNPOLOIGC-OAQYLSRUSA-N 416.499 1.330 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1636627876 SZQCOJYWKGDZPA-QGZVFWFLSA-N 422.551 1.656 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1637389527 IQBYNFWPIRIILF-GCSSGZNBSA-N 401.429 1.856 30 10 HDEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1640916049 ISEKPQHRNZNQOO-UXHICEINSA-N 408.437 1.968 30 10 HDEE COC(=O)c1c(C)sc(C)c1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1643313021 XKLFVHQNOXOMTI-UHFFFAOYSA-N 407.473 1.940 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCCC#C[Si](C)(C)C)c1ccc(S(C)(=O)=O)cc1 1645187509 OHHRBWZTTANMRW-LJQANCHMSA-N 408.596 1.829 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CC2)C1 1645738026 UDDRJDFFLQNTMS-MSOLQXFVSA-N 418.490 1.833 30 10 HDEE C=CC1(CC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CN(C(=O)OC(C)(C)C)C1 1650745341 IDZDTRQWDKXRCW-HNNXBMFYSA-N 407.511 1.289 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1650972004 FEDOYWBHFPCNIQ-ZIAGYGMSSA-N 414.480 1.053 30 10 HDEE C=CC[C@H]1CCCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)C1 1654177896 NWFMHNDREWIUJJ-INIZCTEOSA-N 400.566 1.999 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[C@H]1CCCO1 1655040582 KRSJNORHKVIFLY-NWDGAFQWSA-N 405.245 1.146 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)cc1 1656497309 BWDMXQYEENHEMF-UHFFFAOYSA-N 413.503 1.633 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(C)c(Cl)c2)CC1 1668522346 JUZBADHGPOWZDH-UHFFFAOYSA-N 405.307 1.919 30 10 HDEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 1670759206 FVPMGGJWSODKBH-KRWDZBQOSA-N 401.492 1.663 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)nn1 1672257502 QAAMIOGHGNMWOA-UHFFFAOYSA-N 405.480 1.739 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 1676031134 SRZQCPCMWKQURX-PMACEKPBSA-N 404.942 1.798 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)[C@H]1CCCO1 1681593888 VDYWPXVKZSTCQW-IAGOWNOFSA-N 420.307 1.984 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@]1(C)COc2ccccc2O1 1683016137 VXTWREWKPQLDGM-VFNWGFHPSA-N 408.462 1.798 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccc(N3CCCNC3=O)cc2)CC1 1683052977 GZKOOALYQFAWFO-UHFFFAOYSA-N 419.489 1.905 30 10 HDEE C#CCN1CCC(NC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CC1 1684183363 CBFXNCURTBEUGH-UHFFFAOYSA-N 418.498 1.104 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1684890567 DBRWIARZIIJJTC-UHFFFAOYSA-N 419.551 1.640 30 10 HDEE CCN1CCC[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1685412033 BZESGAGPOFPABK-IBGZPJMESA-N 406.490 1.949 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1689959697 KJRSQXVCEFZMHB-UHFFFAOYSA-N 419.536 1.096 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cn2cccn2)cc1 1689965781 CXOPCXXROOWHSC-IBGZPJMESA-N 424.530 1.543 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1689972266 JQQJKDWOWFHSFI-UHFFFAOYSA-N 408.506 1.414 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1689986531 RVCDPINETXYYMB-SJORKVTESA-N 413.503 1.660 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN1CCc2ccccc2C1 1690029475 CPZQOGZRKBYBSR-UHFFFAOYSA-N 418.545 1.938 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2ccn(C)n2)n1 1690109606 XSLZGQWRFAPZDH-LJQANCHMSA-N 424.509 1.394 30 10 HDEE CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CS/C(=N/C(C)C)NC(C)C)[C@H]2SC1 1690140220 LFOOEBUPKHNPCP-IUODEOHRSA-N 414.553 1.241 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCOC[C@@H](C2CCC2)C1 1690673244 RTHCGONKGRPQRB-SFHVURJKSA-N 410.522 1.819 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1690715984 ZEUFJPZCIPYPQK-OAHLLOKOSA-N 410.462 1.717 30 10 HDEE Cc1csc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n1 1693329968 ARUFCGSHHMWHNG-MLGOLLRUSA-N 410.500 1.435 30 10 HDEE CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1696431748 SGAPLMOOSOVVSZ-UHFFFAOYSA-N 405.466 1.365 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1696871775 QZZXFKAGUGDYMC-IAGOWNOFSA-N 400.483 1.598 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)nc1 1698172088 UPOSVQOHZIUWQZ-GDBMZVCRSA-N 402.455 1.183 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1cn(C)nc1C 1703025354 MFDZQYSQPPUJGL-IYWGDAJJSA-N 400.523 1.890 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705556604 IPRCHQSBHXZXMM-SFHVURJKSA-N 416.547 1.966 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1705567505 YECMXIUPAZZNBW-INIZCTEOSA-N 413.507 1.105 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705572255 VNHXWHNTJKGJLC-QZTJIDSGSA-N 415.519 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)Cc1ccccc1 1705580109 DFOXHNQHNLFXBX-FQEVSTJZSA-N 404.518 1.824 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1705583362 WRNBBZYRFNXSAV-CABCVRRESA-N 410.590 1.102 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCN(C)C1 1705622642 OATDCUBWDOVUMA-HXUWFJFHSA-N 403.914 1.751 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1705691452 FXEKLGGXHFGZJJ-AWEZNQCLSA-N 422.331 1.715 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOCC)CC1 1705699435 GWPOIVZJHDXGIC-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1705717781 RKVJSWHPTZVACD-CQSZACIVSA-N 408.528 1.771 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705738058 JJWPAFPTXQJAKF-MSOLQXFVSA-N 404.559 1.912 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1705752877 JWJHPZQRFJWZSN-ILXRZTDVSA-N 424.933 1.349 30 10 HDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1705826184 QVZXGXBQDIRFRT-HNNXBMFYSA-N 420.901 1.537 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705843694 LSWDWQQPSBWRMP-GPMSIDNRSA-N 410.540 1.531 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1)C1CC1 1705854305 JYQHRQLADRFJCF-IRXDYDNUSA-N 423.539 1.459 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@H]21 1705890834 LDKRYBLWTWNWTC-ZACQAIPSSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705898997 FKTYQASHAIMFTI-IEBWSBKVSA-N 410.522 1.404 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC2(CC1)COC(=O)N2 1705899360 QCZBCZMEAZFQCH-UHFFFAOYSA-N 414.441 1.465 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1705922022 DSIIZNGXCORHSC-WBVHZDCISA-N 420.539 1.285 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1 1706072562 FCZIZXKXZHPZFL-ZDUSSCGKSA-N 403.450 1.972 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)C1CCC1 1707909834 FENDVKSNBPPJEK-UHFFFAOYSA-N 408.510 1.486 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CCC#N)CC1CC1 1711019619 DVDQWEJZQVJQEU-MRXNPFEDSA-N 410.544 1.194 30 10 HDEE COCC(=O)NC1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1712110690 LAPDQIYVNWUEGF-AWEZNQCLSA-N 414.466 1.026 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1712168019 WKMMOVLOOHCYBR-IRXDYDNUSA-N 421.498 1.815 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1722346549 SJLFUWUUUALRMW-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1noc(CC)n1 1722353823 SRJSMXKNMZRMAH-UHFFFAOYSA-N 404.434 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1722385397 HKZAKSOYXUGHEE-QHCPKHFHSA-N 407.518 1.211 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1722387553 HQJKQWCAJQHTTL-IYBDPMFKSA-N 424.509 1.298 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)CC1CC1 1722473973 JWPJRGWEUGQBFO-FXAWDEMLSA-N 406.552 1.989 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CC(=O)N(CCOC)C1 1722635019 MGGLGWQJALSFNM-HNNXBMFYSA-N 414.466 1.970 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccc(F)cc1 1722698052 STLSLRNMJWDHEB-UHFFFAOYSA-N 413.457 1.635 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCOC2)C1 1722714641 JBFAMQDOZGYXKE-WIYYLYMNSA-N 400.479 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1722750149 KPSGQMSLAPGNBW-QGZVFWFLSA-N 412.475 1.146 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1723636102 HPFCOSZVHXYMIE-UHFFFAOYSA-N 423.521 1.823 30 10 HDEE CCN(CC1CC1)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1728454319 JRGNQNNEBFCMRF-VLGSPTGOSA-N 415.498 1.179 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1730705043 JUZJIPUUXNYAQO-GOSISDBHSA-N 401.467 1.617 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 1731179678 FHBVCMUVCFWPFE-IBGZPJMESA-N 400.462 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740559682 STBFUXJWKDETCD-GOSISDBHSA-N 411.554 1.858 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCS(C)(=O)=O)c1 1740563276 RSVYVUHRWPRPSR-UHFFFAOYSA-N 415.519 1.646 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1740589224 SBIJOCSGEJISDJ-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1740615712 JOLWCRIDYIOWGV-OAHLLOKOSA-N 423.583 1.365 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1740652933 RZQDJOOPPDSSNR-UHFFFAOYSA-N 416.485 1.748 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1740655449 BYCKEGYEIVHIRS-LJQANCHMSA-N 417.579 1.519 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](CC)C1 1740717661 XZHGCHXTKCCPPO-LSDHHAIUSA-N 414.622 1.878 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(CC)c1 1740801911 HHDPIWBESZNLCW-LBPRGKRZSA-N 401.924 1.494 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCS(C)(=O)=O 1740842960 RWYLLQCRLXGKQS-UHFFFAOYSA-N 411.572 1.987 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740885098 XHYAHGUPRLQGBG-KRWDZBQOSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CCC)C1 1740963623 RDCYSRLBIXAKEH-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1748764521 QUGFYUSPTMHAER-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1748846551 IQUPVOHQJNVPGL-SFHVURJKSA-N 414.535 1.238 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)cc2OC)CC1 1748989243 JGLSVMDLTFQTGE-SFHVURJKSA-N 411.506 1.603 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749676426 PWCBVUWPDANPRQ-KRWDZBQOSA-N 423.521 1.061 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C1 1749713823 ZAZJXSVGHZLYCF-YOEHRIQHSA-N 421.498 1.544 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1750079936 WLZTYJPDLQCTKD-OAHLLOKOSA-N 419.493 1.830 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCC(=O)NC1CC1 1751928146 HDQXCCMHHFRYAV-UHFFFAOYSA-N 411.485 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1760097562 HCJPWZSJKXVSGC-ZNMIVQPWSA-N 405.524 1.448 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)n(C)c1=O 1760206808 NGPDYNLNWGZWHH-UHFFFAOYSA-N 403.490 1.268 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1760218853 OMIGGCPJZUUCQE-IBGZPJMESA-N 424.526 1.722 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1760340605 GIQRIYUWQBKSCC-HXUWFJFHSA-N 418.567 1.739 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)CC1 1760389402 KAPXLDUQBAUGIM-SFHVURJKSA-N 402.520 1.877 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760462001 NPSRYRBFCNYNEN-QGZVFWFLSA-N 412.494 1.367 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1760495751 WFWOUFHWQNNVIX-MRXNPFEDSA-N 423.564 1.899 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1760524184 QSXXIFKZAZGPGZ-OAHLLOKOSA-N 405.499 1.206 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCOC2)C1 1760549330 BQRVIJYQSSHDTL-PXNSSMCTSA-N 402.499 1.072 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760562901 ZFIGNSAUFNOXAP-FQEVSTJZSA-N 417.583 1.899 30 10 HDEE COc1cc(OC)c(-n2nnc(C(=O)N3CCN(CCC#N)CC3)c2C)cc1Cl 1848520028 RHKZUUDVSZWLRW-UHFFFAOYSA-N 418.885 1.918 30 10 HDEE C[C@H](Oc1ccc2c(c1)OCO2)C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851207621 YBFMNWGDJICWBI-INIZCTEOSA-N 424.457 1.815 30 10 HDEE O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851721728 UFMAQJNVBDLBHO-LLVKDONJSA-N 403.382 1.910 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3nc4[nH]cnc4cc3Br)CC2)n1 1851790692 YOEHERUJAJOOFA-UHFFFAOYSA-N 413.239 1.344 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCC(=O)N3Cc3ccc(Cl)cc3)CC2)n1 1851816612 DMSYCWYVGJISIR-GOSISDBHSA-N 424.892 1.841 30 10 HDEE C=CCN(C(=O)c1nc2ccccn2c1I)[C@H]1CCN(C)C1=O 1851937612 UWOOCRYPLKIFNT-NSHDSACASA-N 424.242 1.798 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)c2ccccc21 1852129218 JGCHMNUSMRCWBC-OAHLLOKOSA-N 406.508 1.224 30 10 HDEE CCCN(C(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852461938 MVWBHTNISXLWBX-INIZCTEOSA-N 408.462 1.994 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CC(c4nc(C(C)C)no4)C3)C2=O)CC1=O 1853880957 UIJJMKWCNJEUSZ-ZBFHGGJFSA-N 415.494 1.144 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)c1 1854463916 KVFSKLROSLJEKD-QGZVFWFLSA-N 401.488 1.343 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CSc3nccc(=O)n3C2)C1 1855312627 VHGDPUVWYWZBJQ-HZPDHXFCSA-N 402.520 1.404 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)CCCS(=O)(=O)c2ccccc2)C1 1855435835 AUUDTUTURDZSEV-KRWDZBQOSA-N 405.520 1.851 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1 1855553156 VEOYBKVGJIKUCT-OAHLLOKOSA-N 411.549 1.396 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cn(-c4ccncc4)nn3)C1)CC2 1857213723 UGHPVKYEAFBLGO-JKSUJKDBSA-N 405.462 1.277 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c(C(C)(C)C)noc2C)C1)[C@H]1CCN(C)C1=O 1857282284 VJLAGZQPDDGDTL-CVEARBPZSA-N 416.522 1.988 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)CC2=O)cc1 1857323800 FYTUCHNPOQQEME-LPHOPBHVSA-N 410.474 1.411 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)cc1 1857387580 ROTCKUBRQRTNNL-LJQANCHMSA-N 408.502 1.910 30 10 HDEE CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2C#N)N2CCOCC2)cc1 1858075036 ZPDGJWKXFONNLX-FQEVSTJZSA-N 414.531 1.976 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccccc1C#N 1867019574 LQDVCYYUYPRIDA-SFHVURJKSA-N 415.471 1.365 30 10 HDEE O=C(NC[C@@H]1CCCO1)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932306 ZQBQTPHYEWEWCS-WMZOPIPTSA-N 413.499 1.632 30 10 HDEE COc1ccc(OCCn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870102285 KQPSICKSPVARHX-UHFFFAOYSA-N 402.414 1.996 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCc3ccccc3)cc2C1=O 1870148560 STTDGSSNHQJLPR-UHFFFAOYSA-N 400.398 1.936 30 10 HDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)C2CCC2)cc1 1870151965 UXKFUZURGYAWFA-UHFFFAOYSA-N 409.494 1.949 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1OC 1874433965 GWVGYPROVQUJND-UFWORHAWSA-N 407.452 1.079 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228461 PPQYYCKSJOPMMW-INIZCTEOSA-N 417.510 1.943 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NC[C@H](C)O)ncnc21 1875229665 AIQQHRBQARKYTD-INIZCTEOSA-N 421.505 1.767 30 10 HDEE CC(C)(C)OC(=O)NCC12COC(C(=O)ON3C(=O)c4ccccc4C3=O)(C1)C2 1881650849 CCURMCHLYGDKFO-UHFFFAOYSA-N 402.403 1.815 30 10 HDEE CN(C(=O)c1cc([N+](=O)[O-])ccc1Br)C1CN(c2nccnc2C#N)C1 1892116937 NHYQDTAKMKFANR-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1894484647 DDIHJPRTOAITSS-QGZVFWFLSA-N 406.504 1.683 30 10 HDEE C#CCN(C)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1984759110 CKSRDNQEOZDMBM-QHCPKHFHSA-N 414.550 1.837 30 10 HDEE C=C(CNC(=O)C1=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991968677 XMMAEKJUAZMSON-GJZGRUSLSA-N 408.304 1.875 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)NCC#CBr)C1 2021164420 GZQNAUDFNKTMSO-WDEREUQCSA-N 404.261 1.494 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 2054408900 WULRJQLZTJCDGZ-SFHVURJKSA-N 406.508 1.858 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174789003 LKTRFAOKMUILCB-PTFIGZPYSA-N 420.557 1.479 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2269015655 JXDCWHDAPBTQLF-UHFFFAOYSA-N 409.360 1.374 30 10 HDEE Cn1nc(C(=O)NCC2([S@@](C)=O)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041840 BZKVQZOALDEDQS-AREMUKBSSA-N 401.725 1.014 30 10 HDEE Cc1sc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282054260 OIEJJBCNJKKZPM-LLVKDONJSA-N 401.359 1.861 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@]2(C)CCN2)sc1B1OC(C)(C)C(C)(C)O1 2282304760 OVXRSMFNYRAPQQ-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN4CC[C@H]3C4)cc2Cl)OC1(C)C 2282315442 NXYMBCUQJGCIBV-NSHDSACASA-N 418.777 1.779 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CN 2282347736 BSPJBABEZBEONB-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3C[C@@H]([C@@H](F)CO)C3)c2)OC1(C)C 2282353891 ZBKSOTQORMTYSZ-UHTWSYAYSA-N 405.322 1.435 30 10 HDEE C[C@@H]1CNC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499645 QYIFIUWKTOGURN-JSGCOSHPSA-N 400.375 1.465 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCSC[C@@H]2CO)OC1(C)C 2282504252 MCCPOUPSLNHPNO-ZDUSSCGKSA-N 419.399 1.287 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]2(C)CCC[C@H]2O)OC1(C)C 2282509124 GTDGWVSWKSGIBT-WBMJQRKESA-N 402.347 1.165 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CCN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836887 QIIAQKYYNHCAED-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)S(C)(=O)=O 2282857184 DQKFLZFOMNRXKB-WDEREUQCSA-N 423.387 1.147 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCc2csnn2)c1B1OC(C)(C)C(C)(C)O1 2282875162 LLLGXCAWVFIHKW-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CCCCN(CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284400224 UAZUMALULUNQLB-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284403148 QSOHMJVYGYXCBM-CMPLNLGQSA-N 401.315 1.531 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc(O)c(O)c1 2331237937 UGHAJWHECUZQLG-UHFFFAOYSA-N 407.496 1.721 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(CNC(=O)OC(C)(C)C)C1 2365206922 KBQORTNZRSRNNL-HVEKOLDVSA-N 402.557 1.457 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365212779 RIXADPTXRWRWFV-CLCXKQKWSA-N 402.557 1.538 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367794201 GQMSCWRUVMSRLW-SCLBCKFNSA-N 401.481 1.436 30 10 HDEE CO[C@@H]1C[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367801964 XDDGCSYMDPAQQP-ARFHVFGLSA-N 401.525 1.590 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CCNC(=O)OC(C)(C)C 2367819373 OUPNZOBRLZVVHH-MAUKXSAKSA-N 402.557 1.601 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2367822631 WVBBHLZDDFGWRF-BIENJYKASA-N 400.541 1.209 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2367825230 OWRBVMILNZMFDZ-AUUYWEPGSA-N 400.541 1.306 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCC(O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367828103 NIZOHVIIJZSEOU-XAUUPUKJSA-N 400.541 1.435 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3)n2)o1 59879158 FNGFGPKXCAQHBC-CNHKJKLMSA-N 402.440 1.310 30 10 HDEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1ccc(OCCO)cc1)CC2 72122594 JLXWSPNRJCIHOD-LJQANCHMSA-N 418.490 1.531 30 10 HDEE Cc1ccc2[nH]nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2c1 97255773 PYXIEPPWGMXNEQ-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)cc1 253576842 WIJPZHNRGCJFHX-XDHOZWIPSA-N 403.512 1.516 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 428806317 QGMMATQXKWXRRQ-AWEZNQCLSA-N 418.450 1.588 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNCc1cn(CCC#N)nc1-c1ccncc1 433314330 AEKYFZBDUXVWQK-FQEVSTJZSA-N 409.538 1.891 30 10 HDEE CCn1c(=O)c(C(=O)CN2CCCC(C)(C)[C@@H]2C#N)c(N)n(Cc2ccccc2)c1=O 444722580 ZCIAGVRLYSTEFY-SFHVURJKSA-N 423.517 1.857 30 10 HDEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 471908204 XDCQPKHSONRKOV-QGZVFWFLSA-N 413.521 1.164 30 10 HDEE N#Cc1ncn(CCNC(=O)Nc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)n1 482311849 JZHSJMGZPMEZHQ-UHFFFAOYSA-N 407.356 1.813 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486623459 CKSPWDNXPOBWHR-GOSISDBHSA-N 413.455 1.424 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)nn2)cc1 489531623 GMPPBSCKJHNCFT-IBGZPJMESA-N 419.445 1.905 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 501861079 MJICUFPQKCEFBU-SFHVURJKSA-N 415.494 1.784 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508908015 QPOUQLSQIUMNGZ-MAUKXSAKSA-N 421.461 1.970 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CCc3nccs3)C(C)C)CC2)o1 513979246 ACXKRGBQDVWWFT-UHFFFAOYSA-N 402.524 1.913 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cc(Br)cnc2O)cc1 518715318 AXRUQDVKGJQSSD-UHFFFAOYSA-N 410.249 1.975 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](NS(C)(=O)=O)C1 532975456 UZKUYEVIUMFSQG-CHWSQXEVSA-N 410.565 1.839 30 10 HDEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(CCc4ccccc4F)C3=O)CC2)n1 544875105 SAOIGNKAKNPQHI-IBGZPJMESA-N 407.449 1.585 30 10 HDEE COc1ccc(COC[C@H](O)CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 544881535 HFRNDNMTCSBQTO-LJQANCHMSA-N 412.490 1.670 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CSCN3C(=O)c3ccccc3)CC2)n1 546904112 SRBVFEUWPOGDND-GOSISDBHSA-N 407.499 1.817 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)nn1 547275924 BHTCPQGEIQGZEF-YJYMSZOUSA-N 405.455 1.490 30 10 HDEE CCOC(=O)C(C)(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 553966985 SKDNIGSEWMDLAB-UHFFFAOYSA-N 407.492 1.371 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 555270547 AWPUTCOEJBGPDZ-UHFFFAOYSA-N 423.539 1.991 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2ccnn2)cc1 562171206 WITVJHGNRRDLCL-CQSZACIVSA-N 410.459 1.295 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2nc(C#N)cs2)CC1 574851612 UYBVEYDKONPBLH-UHFFFAOYSA-N 407.477 1.738 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N[C@H](C)CC)cc21 586314403 PAVSLJVBOLKKOU-TXTZVMOISA-N 406.504 1.833 30 10 HDEE N#CCc1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 588146293 HGLQDCNPJWWWFR-INIZCTEOSA-N 405.501 1.494 30 10 HDEE C[C@@](CO)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Br)cc1 588972603 OWYFAVJEQUMCMW-KRWDZBQOSA-N 424.320 1.987 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C 603800830 XZFFVMILWKNESR-UHFFFAOYSA-N 419.506 1.473 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccccc1C 603826478 PFEDAMPAHDZKBD-UHFFFAOYSA-N 420.450 1.365 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4ccc(O)cc4)n3C)n(C)c2=O)cc1 606630125 KGJMYFJROLOULY-FSJBWODESA-N 418.457 1.942 30 10 HDEE CCCC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609904666 NYAZLWZMUPTSHV-QGZVFWFLSA-N 408.524 1.779 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)CC1 610849218 QUIWWCVDJVHXEJ-IBGZPJMESA-N 416.522 1.556 30 10 HDEE C=CCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(O)c1 728555450 GGEOLLFIXAXZGM-UHFFFAOYSA-O 406.509 1.850 30 10 HDEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729670586 WZGWRHIPBLNMAM-UHFFFAOYSA-N 407.499 1.139 30 10 HDEE N#C[C@H]1CN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CCN1C1CC1 732647582 HNLUMKROBIKTEG-AWEZNQCLSA-N 419.279 1.373 30 10 HDEE C#CCN(C[C@@H](O)CN1CCOCC1)[C@H]1CCOc2ccc(Br)cc21 733613886 OSRRWBKHDNESLR-WMZOPIPTSA-N 409.324 1.901 30 10 HDEE NC(=O)[C@@H]1CCC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 737968384 CHLRHKNAVPIUBQ-HUUCEWRRSA-N 420.535 1.446 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 741244371 ABPDRFMASXYYJW-SFHVURJKSA-N 414.462 1.820 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 742408881 DLHHBPOUCOXQPJ-OAHLLOKOSA-N 409.851 1.776 30 10 HDEE C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CCCC1 758343862 NXGFKBNDELPWDI-UHFFFAOYSA-N 419.547 1.851 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Cl 760777630 MMYYAOZUOAFIGH-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 766233975 PQCGLKTVMCWITD-INIZCTEOSA-N 423.491 1.530 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(Cc2ccc(C#N)o2)CC1 768901946 CMCDUIMRGGJPFR-UHFFFAOYSA-N 423.516 1.370 30 10 HDEE C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 771685060 JVFIIZCWXCBUAA-KDOFPFPSSA-N 413.499 1.966 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 774025438 LKLMXWDMOYOOTD-IAGOWNOFSA-N 405.476 1.458 30 10 HDEE C#CCN(C(=O)N[C@H](Cc1nccn1C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774236775 YQMPCHPPBZGUPB-ZWKOTPCHSA-N 400.504 1.536 30 10 HDEE CCCC(=O)C1=C(C(=O)OCC)NC(=S)N[C@H]1c1c(Br)cnn1C 783824659 QDXDTKTUWWJSQU-LLVKDONJSA-N 415.313 1.888 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCCN2CCc3ccccc3C2)cc1C#N 787711262 NZOAQIYYLUMOGS-UHFFFAOYSA-N 406.486 1.748 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)n1 789110525 ZOZJMSGFNBRMAW-IBGZPJMESA-N 401.511 1.608 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 790449038 VXVCJGXIXUPQJR-GASCZTMLSA-N 409.508 1.936 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 800776730 HOUBMKVHBAAKMM-UHFFFAOYSA-N 410.478 1.702 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)C(F)(F)F 810517845 MZFANYGJQJIGKH-GFCCVEGCSA-N 421.397 1.960 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@](O)(c2ccc(C)o2)C(F)(F)F)CC1 818651354 OMXFYCTYCCFCNV-KRWDZBQOSA-N 403.401 1.174 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=S)Nc3ccccc3C#N)CC2)C[C@H](C)O1 916012517 GEAHZIRFKWOTRJ-GJZGRUSLSA-N 423.564 1.227 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)NCCNc3ccc(C#N)cn3)cn2)C[C@@H](C)O1 916390729 WIVANUGGYPSZLE-HZPDHXFCSA-N 409.494 1.873 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3cccc4ccccc34)cnc21 916916599 XHEDKHVYBQHXSF-HNNXBMFYSA-N 400.398 1.631 30 10 HDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cn1 1083983460 DGTZSQKRQJHQFY-UHFFFAOYSA-N 418.487 1.382 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCSC[C@@H]2c2ccccc2OC)C1=O 1133425410 PGQGZIMAPKONEL-OAHLLOKOSA-N 417.487 1.679 30 10 HDEE CC(=O)Nc1ccc(S[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134429130 PBEUMDGHSFFEPF-UVBSCNOISA-N 407.517 1.522 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1C(=O)OC 1134900088 CILXUMGJHAYGPA-IYBDPMFKSA-N 417.437 1.334 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1136161529 OTKVXXVKKFNSMO-IRXDYDNUSA-N 423.558 1.632 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2coc(CS(C)(=O)=O)n2)ccc1OC 1146435977 IXTYVLKZZKECRW-ZDUSSCGKSA-N 407.448 1.839 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(OC)c(OC)cc2NC(=O)Cc2cccs2)C1 1158397723 IYXGMSYXMSNCGX-UHFFFAOYSA-N 400.456 1.767 30 10 HDEE CN(CC(=O)N[C@@H]1CCCN(O)C1=O)c1cc(Br)ccc1[N+](=O)[O-] 1159642171 UOILRFHBJWXBOI-SNVBAGLBSA-N 401.217 1.290 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(OCc3ccccc3)nc2)c1=O 1165303522 NALLKCJZJLILSY-UHFFFAOYSA-N 406.442 1.566 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCC[C@](C#N)(c2ccccn2)C1)[C@H]1CCS(=O)(=O)C1 1175211038 IRZXSFIDLKJUCA-BBTUJRGHSA-N 418.563 1.753 30 10 HDEE COC(=O)[C@]1(N2CCN(c3cc(Br)c(C#N)cc3F)CC2)CCOC1 1187089888 DSIAJVRQNXLOQH-KRWDZBQOSA-N 412.259 1.914 30 10 HDEE N#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 1190692523 ZHVSZNHVQCIPBZ-UHFFFAOYSA-N 406.508 1.259 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286367199 KIHIEDMKULCYLO-AWEZNQCLSA-N 404.492 1.466 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1286401347 QCRLEVQJRKUDAP-DENIHFKCSA-N 413.522 1.262 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1289362773 VNYOCKRCMRXUAL-OAHLLOKOSA-N 421.519 1.844 30 10 HDEE CCN1CCN([C@@H](C)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1292987478 RFMXHHPXKNEQTC-SFHVURJKSA-N 406.571 1.779 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1293721440 ONAIPUVDMJCKCR-PLNGDYQASA-N 424.505 1.990 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3[nH]c4ccccc4c3C#N)CC2)cn1C 1294651145 XAWYCUAQSVMJFK-UHFFFAOYSA-N 412.475 1.228 30 10 HDEE C=CC[C@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1296237003 SSRWTXQKHXPDGE-DJJJIMSYSA-N 400.447 1.586 30 10 HDEE CCC[C@]1(C(=O)OCC)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1297263149 IEDSJTGFLZPJFO-LJQANCHMSA-N 407.492 1.561 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1299551663 BRDAOTMYENVHBE-HNNXBMFYSA-N 421.509 1.615 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCS(C)(=O)=O)c1 1300332129 XUUABMIDUCPZPQ-OAHLLOKOSA-N 417.535 1.892 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](COCCOC)C1 1300403782 PVQILCMQTLFYSR-MRXNPFEDSA-N 415.494 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1Cc1nnn(C)n1 1300547066 CXEIITMDOMKWRM-UHFFFAOYSA-N 408.491 1.224 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1ccnc1 1300663814 JIGGLTNHYJHZIC-GOSISDBHSA-N 419.489 1.549 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301367901 VMPSFJVFGVBPGV-RBUKOAKNSA-N 416.570 1.759 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(F)(F)CC1 1301568113 OJKGVSCUFWZACR-UHFFFAOYSA-N 417.482 1.350 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1302027319 IULZSMCSENNCGE-OXJNMPFZSA-N 424.521 1.291 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCCO1 1303627994 RLSIASYNLJXGMF-DLBZAZTESA-N 404.515 1.838 30 10 HDEE N#Cc1cncc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)c1 1303862446 XWCIXHOKQHIQDI-UHFFFAOYSA-N 408.530 1.682 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)c1ncc[nH]1 1304127036 BJIYXGIQUHPDEJ-GFCCVEGCSA-N 409.240 1.671 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316325464 ZITCUMJKMBJACR-LZICOFPGSA-N 423.477 1.400 30 10 HDEE CC(C)(C)C(=O)NC[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1318544704 DQYUYIRVWCNEOT-UVTIVQHFSA-N 405.499 1.097 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)COc2ccc(Br)cn2)c1 1357399340 MSAMHWAAVVEVTO-UHFFFAOYSA-N 402.248 1.983 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1359003354 HXHGMHQFOXHRMW-UHFFFAOYSA-N 417.535 1.724 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)N(CC)CC)CC1 1359029519 ZSTMQLVLFOCBIL-GOSISDBHSA-N 424.553 1.411 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359036352 USFINZKFNSWGMZ-GOSISDBHSA-N 424.505 1.764 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359172964 PCKSJLQIAWXLKJ-YCRPNKLZSA-N 412.494 1.868 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359221666 KBFLXJFKGNUBHS-BBWFWOEESA-N 404.515 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CC2)C1 1359327185 UYVNMSIETZNMMK-MSNZXOKQSA-N 424.567 1.695 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H](C)C1CCC1 1359332101 PFLYQCHFAMAFOX-ZBFHGGJFSA-N 409.556 1.845 30 10 HDEE N#Cc1cccc(N(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)C2CCC2)c1 1437670445 CXQOJMLZPHVABX-QGZVFWFLSA-N 414.487 1.609 30 10 HDEE CCN(CC)C(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1440742498 ADFCUQBAMFHLCD-OAHLLOKOSA-N 413.496 1.506 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)COC3CCN(C)CC3)c(C#N)c2N)cc1 1445148012 BNXKQSOXBSFBMK-UHFFFAOYSA-N 410.522 1.794 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc1OC 1453685465 HOCLETAKOBFZEL-OAQYLSRUSA-N 404.463 1.350 30 10 HDEE C#CC[C@@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1454051179 YNPMQHJOUAAUNB-MRXNPFEDSA-N 406.504 1.778 30 10 HDEE COC(=O)CN(CC#N)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 1459604558 ADTFSTZHPLAJRM-UHFFFAOYSA-N 411.458 1.908 30 10 HDEE CCCCN(C(=O)CN(C)[C@@H]1CCC[C@@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1460603129 AQGZPTKWYCSNFN-HZPDHXFCSA-N 418.542 1.944 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CCC(C)C)c2CC)CC1 1466169562 SOGPSSDKYOVORO-UHFFFAOYSA-N 410.544 1.109 30 10 HDEE Cc1cc(Br)cc2c1CN(C(=O)Cn1cc(C#N)c(O)nc1=O)CC2 1466439201 HAMZCQLYVPZQRI-UHFFFAOYSA-N 403.236 1.476 30 10 HDEE C#C[C@@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1467294457 ZYLDGSOVMDIGAV-WBVHZDCISA-N 403.483 1.761 30 10 HDEE C#CC[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1468876349 ZATOMAFRAAXMOF-ZDUSSCGKSA-N 407.220 1.116 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc([C@@H](C)C(=O)OC)c1)c1cc[nH]n1 1468970274 KVSHKTAKKOMQSB-GFCCVEGCSA-N 402.407 1.609 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1 1469865529 DRKWDCZCNMIUDM-JCYILVPMSA-N 422.507 1.098 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 1471893759 OEYCRVFJNOQEPX-IIBYNOLFSA-N 401.463 1.776 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)nn1 1475569155 ZLFLEEWQBKEXHV-UHFFFAOYSA-N 407.471 1.708 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1478416800 AWWMQHGYWHTZSY-GOSISDBHSA-N 409.494 1.904 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1496226137 GTFDPORXNNHHPQ-CRAIPNDOSA-N 412.494 1.987 30 10 HDEE CCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cn1 1501258479 BDBIQMKWAHVLRK-CVEARBPZSA-N 411.466 1.190 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(OC)C1 1503275686 ZRCUDMSGFQNEEY-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1F 1504278653 GXHWOAICHHCJAH-HNNXBMFYSA-N 414.441 1.325 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1507534275 SISZEYQOMUYTKF-OAHLLOKOSA-N 412.494 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507535908 JRDDRHXZNLBFRO-BBRMVZONSA-N 414.897 1.968 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507636178 ZXLLQVUZKDOXJI-FGTMMUONSA-N 406.552 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1nncn1C 1507677061 TYAYUSJYDGCACL-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(OCC3CC3)nc2)CC1 1507731961 GTWUNVMHYBDPQO-UHFFFAOYSA-N 410.522 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCO[C@H]2CCOC2)CC1 1507742974 UHQZLVMZLCJMQU-IBGZPJMESA-N 417.554 1.638 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCCOC)C1 1507782589 LFUXEGJCEFPSNN-CQSZACIVSA-N 411.304 1.829 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507842136 FCEZMRISNCYMCG-KRWDZBQOSA-N 411.510 1.797 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1508062092 LXCNXEHLCZLGAT-UHFFFAOYSA-N 408.506 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCO[C@H](c2ccccc2)C1 1508080178 LKDLQJDMTCQCIP-IBGZPJMESA-N 421.505 1.949 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCCC2)CC1 1508088223 ABCLNOZBNOWXHC-KRWDZBQOSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1508092607 ROVLIJKGIGULPF-ZACQAIPSSA-N 403.527 1.868 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1519191223 FPHDZIBOPBTILK-WWMYMODYSA-N 416.526 1.407 30 10 HDEE CO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H]1C 1526128625 AWYWNXHTQARUAT-KXBFYZLASA-N 405.520 1.842 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1539088949 BUGJGHOFWCCXFE-KRWDZBQOSA-N 402.543 1.962 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1539203033 MZBSAEQNQUVFGB-KRWDZBQOSA-N 409.600 1.933 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(F)(F)CC2)CC1 1539445708 CTZNZMCYZBDZCY-INIZCTEOSA-N 406.481 1.810 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)CC1 1539506872 NKKWHVTXEISMCZ-UHFFFAOYSA-N 413.503 1.409 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539592516 FMVJWPHUUMBXHS-MRXNPFEDSA-N 408.304 1.550 30 10 HDEE C=C(C)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1539734024 ZOVRKYKGDHFFPL-OALUTQOASA-N 410.540 1.521 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2nccs2)CC1 1539848199 NCVSDJCXHSPCJD-AWEZNQCLSA-N 424.552 1.272 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539917359 CDKLROPREPDDJN-QLFBSQMISA-N 405.499 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1540868607 LIQYSMMTIXDDOA-UHFFFAOYSA-N 417.477 1.169 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCOC2=O)C1 1540891151 PYYRJNGMPXMLSC-IAGOWNOFSA-N 405.499 1.796 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1540962931 VUKZZCNECPZRHV-HXUWFJFHSA-N 424.505 1.681 30 10 HDEE CC1=C(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1542043830 JIQVVCIBZARLKZ-OSCRUYLVSA-N 412.494 1.855 30 10 HDEE Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543189417 XVTQHSIHKVVMGK-MQCVIOBYSA-N 414.388 1.269 30 10 HDEE CCN1CCC(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CC1 1547654664 CRHAQAUFZHYXLS-MJGOQNOKSA-N 420.558 1.853 30 10 HDEE COCC(=O)N1CC2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C[C@H]1C(N)=O 1548380334 WVLSAAINFQSJSI-INIZCTEOSA-N 424.423 1.896 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1557648786 WFACONHOBCUWBY-LBPRGKRZSA-N 411.459 1.065 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1558517891 QZECJUPMKYZJNQ-HOCLYGCPSA-N 407.341 1.990 30 10 HDEE CCN1C(=O)c2ccc(C(=O)N3CCc4c(sc(N)c4C#N)C3)cc2S1(=O)=O 1558675407 BPIFKDXIXNHXJG-UHFFFAOYSA-N 416.484 1.565 30 10 HDEE COCCn1ncc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1C 1558973159 FVQVCBNCFJNJBL-UHFFFAOYSA-N 408.256 1.635 30 10 HDEE Cn1c(=O)[nH]c(N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)c(C#N)c1=O 1559200729 XBGSWSOGFJRNPP-APWZRJJASA-N 422.416 1.948 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)n1 1559804187 CTUDOIDXQWXTLN-INIZCTEOSA-N 400.479 1.968 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1560004419 GBAUGICJXLFZNV-BBRMVZONSA-N 407.854 1.967 30 10 HDEE C[C@]1(C#N)CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCO1 1560182051 CSNWWYPJTSMFBA-FQEVSTJZSA-N 420.535 1.092 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2)C(=O)OCC 1561828772 YLEISEMAOSSVKD-OAHLLOKOSA-N 400.884 1.948 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@]2(C#N)CC3CCC2CC3)c1 1565628241 NAVWEWJRQLMEQY-HVDWVVFDSA-N 418.519 1.758 30 10 HDEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OCC 1569184549 QWGRYFLSGGCNCY-CYBMUJFWSA-N 422.425 1.998 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCOCC1 1570189756 LDCSHWNAEMDBPR-KRWDZBQOSA-N 409.527 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CC[C@H](O)C3)CC2)CC1 1585070807 BVMSJRAEKJVZIM-IBGZPJMESA-N 405.539 1.695 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1587620298 BYGSZJMNSFTFIK-HOTGVXAUSA-N 414.510 1.432 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1587638414 DSYCPIJHVXWRSS-DOMZBBRYSA-N 405.405 1.630 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1587904546 JLARIFGKSUQLBO-KRWDZBQOSA-N 411.510 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(OC)CCOC1 1588113370 KLCITPCGMPKJPZ-JOCHJYFZSA-N 410.474 1.841 30 10 HDEE CC1(C)[C@@H]2CC[C@@]1(C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C(=O)C2 1588158130 PXEJNTGMJAVTAN-IERDGZPVSA-N 415.515 1.787 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)(C)C)CC1 1588769247 QCKFLOCTFIDLCX-UHFFFAOYSA-N 419.533 1.877 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1593757421 DFUUUZYJYJMUBI-OAQYLSRUSA-N 416.526 1.638 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1594236775 IOLIMFJMBSDQBA-IDHHARJASA-N 410.540 1.123 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594624788 BJJQGRXFPVTYRV-IAGOWNOFSA-N 416.526 1.905 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1595536999 KYFRGQLHINKBAY-DOTOQJQBSA-N 412.469 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595788679 GOICRAPTOANVBQ-IYBDPMFKSA-N 411.572 1.302 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC#C[C@@H]2CCCCO2)C1=O 1606801505 LZUNBWJTTSQBJI-XOBRGWDASA-N 421.856 1.935 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2occc2COc2cccc(C#N)c2)C1 1611252164 OIRSSHQGPXVKEJ-HNNXBMFYSA-N 403.460 1.742 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1612980711 NXZFZECCIJWALI-GPMSIDNRSA-N 424.505 1.821 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@](O)(c3ccc(Br)cc3)C2)c(C#N)c1=O 1613013042 ADZHXIUTCOCNPD-QGZVFWFLSA-N 405.252 1.196 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(Cc2cc(O)n3ncc(C#N)c3n2)C1 1615669770 XBVGZYWFYGCEBQ-LBPRGKRZSA-N 410.400 1.929 30 10 HDEE N#Cc1ccc(NC(=O)C2CCS(=O)(=O)CC2)c(I)c1 1616826247 AFZHQIMEBKRZHL-UHFFFAOYSA-N 404.229 1.926 30 10 HDEE CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1618730826 WNFLXATYLJNECE-MSUUIHNZSA-N 417.514 1.064 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CCCCn2cnc3c(N)ncnc32)c1 1626149755 FHIDBZBNKSXHCC-UHFFFAOYSA-N 405.462 1.657 30 10 HDEE CNC(=O)[C@@]1(C)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1626397467 GVDDIELUTRYLLA-SFHVURJKSA-N 405.296 1.742 30 10 HDEE C#CCN(CC(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)C(=O)OC(C)(C)C 1627626165 SJMALOVYDPQGLL-UHFFFAOYSA-N 405.417 1.916 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(OC)cc1N)C(=O)OCC 1632067320 PFTAATZCHLXJJH-GFCCVEGCSA-N 404.872 1.485 30 10 HDEE C[C@@](CO)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1633332944 MUHYSLBUUKYSOB-GVJQPLCZSA-N 411.380 1.946 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1633698844 VEMXPUXEABBQGA-HNNXBMFYSA-N 400.541 1.919 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3coc(C#N)c3)C2)C(=O)C1 1634470943 SZZQTNMQIXNIIZ-OAHLLOKOSA-N 402.451 1.835 30 10 HDEE C#C[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCCO1 1634529325 ACZPUVGZTRRLBX-HLLBOEOZSA-N 403.483 1.761 30 10 HDEE COc1cccc(C(=O)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1636496762 FJVRVHAJLSXIEY-CYBMUJFWSA-N 401.444 1.233 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](c2nn[nH]n2)C1 1636502208 NSYJSONBHZFAID-WBVHZDCISA-N 423.477 1.922 30 10 HDEE C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)NCC#CCN(C)C)CC3)cc2NC1=O 1639131105 XWDHGLBRMUEGIA-OAHLLOKOSA-N 412.490 1.575 30 10 HDEE Cc1cc(C)cc(-n2ccnc2SCC(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1641029507 AOPBIDQQCOAOQI-UHFFFAOYSA-N 424.486 1.532 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)CC1 1644428805 KYEYMANOJLZCKA-KRWDZBQOSA-N 404.532 1.924 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1645440130 ZHRIWVBHDZUZJH-DNVCBOLYSA-N 413.540 1.272 30 10 HDEE C#CCN(C(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)C1CCN(C)CC1 1646422548 ZOVDAIDLYOPKOK-UHFFFAOYSA-N 413.547 1.999 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 1646589081 CJWJJMJNVZTDMP-PKOBYXMFSA-N 418.542 1.085 30 10 HDEE COC(=O)[C@H]1CN(C(=O)[C@@]2(C#N)CCCOC2)CC12CN(C(=O)OC(C)(C)C)C2 1647764335 MPUQNOVJZRYNQC-AUUYWEPGSA-N 407.467 1.175 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H]3CCCN3C[C@@H]2CO)n(Cc2ccco2)c1C 1648243972 MNXRZCYCQJYEAC-ZWKOTPCHSA-N 411.506 1.697 30 10 HDEE CN(CC(=O)N1CCN(CCC#N)CC1)c1cc(Br)ccc1[N+](=O)[O-] 1648963066 JYJFGNQGWDUGRJ-UHFFFAOYSA-N 410.272 1.851 30 10 HDEE CC(=O)N[C@H](C(=O)NC[C@H]1CCCN(CC#N)C1)c1cccc(Br)c1 1650833642 BIKZWGGYVMENBK-PBHICJAKSA-N 407.312 1.978 30 10 HDEE C[C@@H](CC(=O)N[C@]1(c2ccccc2)C[C@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1651445099 VFZYDXKJKZMDMU-WDUKFBBWSA-N 413.499 1.670 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@](C)(CO)Oc4ccccc43)CC2)o1 1654438852 XJFIYCDYDRCFGJ-NRFANRHFSA-N 411.462 1.153 30 10 HDEE COCC#CCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1658997818 JMGOLIIQIZISBI-ROUUACIJSA-N 406.527 1.504 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCCC(C)C)CC1 1662996989 DPCCQMDVPYKAPZ-UHFFFAOYSA-N 408.524 1.729 30 10 HDEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1664619671 LYEYOFRCLUTDAD-MRXNPFEDSA-N 414.549 1.827 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1664903332 ALLCZPKJMLEDCR-UHFFFAOYSA-N 422.503 1.310 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)C1 1665457062 FQBMSYGWPHGLCI-ZDUSSCGKSA-N 404.410 1.868 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1666024217 KELYTWVCRPMNLY-NSHDSACASA-N 412.309 1.816 30 10 HDEE C=CCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1670240324 VYWAIENIUPFRDT-RYUDHWBXSA-N 414.446 1.746 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CCCC1 1679365290 FMHUOZFNCSMUPH-OAHLLOKOSA-N 403.545 1.970 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 1683675568 CDWZVPGXWKVGQG-SFHVURJKSA-N 408.483 1.837 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 1684187835 DIGPZADVWRRNLA-AEFFLSMTSA-N 401.463 1.039 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 1685506501 FFGGXRSLFZWTIM-IYBDPMFKSA-N 400.483 1.841 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc3ccccc3s2)CC1 1686131546 YRRZDTWEGIQOOV-CQSZACIVSA-N 406.533 1.757 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689992117 HWDMRGJBKNDARH-QZTJIDSGSA-N 417.535 1.316 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690129094 PIYWPMSGXYPRSB-FQEVSTJZSA-N 419.533 1.915 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2ccc(O)cc2)CC1 1690129456 XTBSZALFNVYMEM-UHFFFAOYSA-N 402.502 1.967 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCCCC2=O)CC1 1690148710 QSZKLRRANKGFBI-UHFFFAOYSA-N 400.527 1.209 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690248253 LWTMMNPLGURUDJ-QKLQHJQFSA-N 416.570 1.611 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1690624277 MDYNIZLETYASBO-QGZVFWFLSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690671579 ZCBWBASSNQKRHN-IRXDYDNUSA-N 419.526 1.106 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOCC1(C)C 1693509389 HWNWEFRACVVXRZ-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)OC 1697756311 CFXQJQQNCFPADV-QRQLOZEOSA-N 424.505 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cc(CO)nn1 1705499982 CWNLZDKLXLBTHR-KRWDZBQOSA-N 418.505 1.913 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1705500225 JEJMXVDLGOIRKB-IAGOWNOFSA-N 402.520 1.792 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1705530120 IXAYBMDXSJAAEJ-HNNXBMFYSA-N 407.482 1.723 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1705533569 OYAWUTRFCHMDOA-GOSISDBHSA-N 421.480 1.980 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1705567660 XZPZOEKOGOLTFB-YJBOKZPZSA-N 410.565 1.040 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1705675077 WSFBJECLMXPODD-SUMWQHHRSA-N 406.537 1.381 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1705917639 XCHKBURUJIUKIW-SIKLNZKXSA-N 413.522 1.802 30 10 HDEE CCc1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1709055023 UQKFJVBTLDSBCC-ORIGZDJFSA-N 400.483 1.372 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C(C)C)CCO1 1711360356 GTBIKSAWQVANMQ-ROUUACIJSA-N 412.494 1.439 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1712049962 YVNABUOWYCENCZ-BMQTXXJKSA-N 419.526 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1722296025 MXVSQAYIMUYDES-GDBMZVCRSA-N 423.564 1.487 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722360723 JFRJCMIBWFMCGF-KRWDZBQOSA-N 423.498 1.721 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1722365966 GORPWHZRGQOIIW-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1722402580 NSXFJAKJYTYULC-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1722412104 VBRPLNNPXVVFER-UHFFFAOYSA-N 422.537 1.438 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC2CC2)CC1 1722438909 HDWSPNMJOHCXHD-UHFFFAOYSA-N 410.497 1.289 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCNC(=O)c1cc[nH]n1 1722472360 JFYIHWQGYYLIPD-OAQYLSRUSA-N 404.478 1.409 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722627073 RTSNEFJECMKMEO-KRWDZBQOSA-N 411.510 1.973 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](COC)C1 1722695917 VCEHLIZFKZSWAJ-CQSZACIVSA-N 423.876 1.891 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722696146 CMVLXQGPPZNOJH-UHFFFAOYSA-N 418.505 1.666 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1722698185 WHQPGMJJHICXMQ-KRWDZBQOSA-N 408.506 1.947 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccncc2)C1 1722710979 QZSHEUZFCJCSAM-DOTOQJQBSA-N 420.539 1.307 30 10 HDEE COCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730928803 PYYQAOUXDJLCNV-LJQANCHMSA-N 411.510 1.103 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1740565634 ZDGUWRHXPZYIMT-SFHVURJKSA-N 403.527 1.948 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1740626430 AYFFTPYWXYDKAV-KRWDZBQOSA-N 424.567 1.648 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1-n1cccn1 1740644357 COVDMDOTCAMOHA-UHFFFAOYSA-N 416.489 1.508 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1740683581 AXLHIXXQUWHQJC-KRWDZBQOSA-N 420.477 1.149 30 10 HDEE C#CCSCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723216 OACUSXWMUPCRAT-APWZRJJASA-N 405.524 1.414 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1740948550 NHNXUCKDDOCJGV-UHFFFAOYSA-N 412.469 1.688 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740954491 ANMRSXNEBRDVFU-CRAIPNDOSA-N 410.478 1.359 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1748802849 SHYDACSPDGTDFP-MRXNPFEDSA-N 419.551 1.331 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749044872 XIGXTTPYYUKMCV-GOSISDBHSA-N 413.547 1.381 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749229432 KMRMKOZHOXVAPF-SFHVURJKSA-N 420.558 1.021 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749408794 MGPYCZINNIZEQX-HNNXBMFYSA-N 410.482 1.448 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C1CC1 1749598167 SNZBYZTUEVPVDC-FQEVSTJZSA-N 403.483 1.806 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1750104131 GAUQNYDAIHNHMI-LJQANCHMSA-N 412.494 1.585 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1760162738 FPACTPIGCNWQBO-SJLPKXTDSA-N 422.599 1.755 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1760180028 UMMWXKUZQSHWHP-VXPUYCOJSA-N 424.436 1.592 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCN1CCN(C(C)=O)CC1 1760200196 XLINXLSZLFMIAK-UHFFFAOYSA-N 424.936 1.835 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc2[nH]ccc12 1760206429 ZFVLXJYTKNZPBM-GOSISDBHSA-N 421.526 1.977 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1760225533 SDJBASOZVZMCCU-KXBFYZLASA-N 405.524 1.256 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)NCCC)CC1 1760258565 ZACZICNNYFYGJS-UHFFFAOYSA-N 410.522 1.625 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1760279249 WJXBOIVCRGJMJB-UHFFFAOYSA-N 422.580 1.449 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1762913180 OONJHBMBWZLEOF-IRXDYDNUSA-N 424.571 1.411 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1764583355 BJRDZPRMHSNTCQ-FQEVSTJZSA-N 404.515 1.585 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1771079810 AVXMQDLASNMFQL-KDURUIRLSA-N 414.510 1.245 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCSCCCO)c1 1771531527 RJQIWTIVMJNOOX-QGZVFWFLSA-N 414.535 1.634 30 10 HDEE C#C[C@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 1851050771 NJAWTEKNRRNYTQ-OXJNMPFZSA-N 421.501 1.848 30 10 HDEE COc1ccc(C(=O)NCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851256623 AWTKBKWDPGHNAN-UHFFFAOYSA-N 423.473 1.057 30 10 HDEE C=CCN1C[C@@H](C(=O)OC[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1852582633 AHJVGQLCMCZEGB-IRXDYDNUSA-N 406.504 1.665 30 10 HDEE Cc1ccccc1C(=O)N1CCCN(C(=O)CCON=C(N)c2cccn2C)CC1 1853547693 PCEUSUMBVRILIN-UHFFFAOYSA-N 411.506 1.735 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc(OCc3ccccc3)c2)C(=O)C1 1854460385 AAUHITWGGQLJNK-UHFFFAOYSA-N 413.455 1.403 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3ccncc3)C2=O)CC1 1854862056 FSFPABPEVVMPNH-LJQANCHMSA-N 405.458 1.880 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)CC1=O 1855104088 LDCZLIGWKWAAQC-SFHVURJKSA-N 423.510 1.367 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cncc4cccnc34)C(=O)C2)cc1 1856368204 DAFHSNLHMOYDDC-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE COc1ccnc(C(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)c1 1856468603 PGNKDSHICBRLIC-IBGZPJMESA-N 405.458 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)C1 1856550725 WLMDVVRUQGFMRP-IRXDYDNUSA-N 416.522 1.997 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nc(C)n3ccccc23)C1=O 1856739575 FEJGXBIEUAUKLD-QZTJIDSGSA-N 409.490 1.493 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1856828792 WKFMDYISOJPBGV-MSOLQXFVSA-N 420.554 1.707 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4ccncc4)C3=O)CC2)n1 1856976843 ZIUSETOZDDFBRK-LJQANCHMSA-N 405.458 1.880 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cncc(N(C)C)c2)C1)[C@@H]1CCN(C)C1=O 1857075106 XIFAMQBITRDOFS-QFBILLFUSA-N 413.522 1.245 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1=O 1857144198 OEKZLDOOICUCCL-CJNGLKHVSA-N 418.448 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)C1 1857232251 RDPKJBVNPLCBOY-NVXWUHKLSA-N 416.522 1.854 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CSc2ccncc2)C1)[C@@H]1CCN(C)C1=O 1857263597 HNGGLYLRCOXFFJ-NVXWUHKLSA-N 402.520 1.268 30 10 HDEE C[C@@H]1CN(C[C@@H]2COCCO2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1857327930 DPVIBVZYSQVJMU-CRAIPNDOSA-N 406.442 1.998 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccccc2)C1 1858335388 LOQFHGCGPLOVMO-QGZVFWFLSA-N 405.501 1.441 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4cccc(C#N)c4)C3)ccc21 1858416747 RWIWBDNYHUBUPJ-HNNXBMFYSA-N 424.482 1.726 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794763 GDCGXKKNXANVSW-IAGOWNOFSA-N 419.551 1.253 30 10 HDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@H](C)O)CC1 1870349211 FGGNALSKWOCGSJ-SFHVURJKSA-N 410.518 1.817 30 10 HDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871551319 OBUUWJSBHVPZKI-UHFFFAOYSA-N 418.343 1.961 30 10 HDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccc[nH]1 1874210613 YCEJQHRYLXJSTG-GQLBNTDBSA-N 423.502 1.582 30 10 HDEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)n(C(C)C)n1 1889241044 XQBIZZDBJLPDSH-UHFFFAOYSA-N 401.555 1.644 30 10 HDEE Cc1nn(Cc2ccccc2)c(C)c1S(=O)(=O)NCC#CCN1CCOCC1 1889507969 FKFWPHXLEDQXIY-UHFFFAOYSA-N 402.520 1.162 30 10 HDEE CN(C)CC#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1890799017 JNIKDQVHDSXFSM-UHFFFAOYSA-N 417.575 1.891 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)NCC#CCN2CCc3ccccc3C2)cc1 1891104115 WKGNOPMJKYISHO-UHFFFAOYSA-N 411.527 1.451 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)N3CC[C@@H](O)C3)ccc2Cl)OC1(C)C 1914068537 LQFSQRHZOHNEGZ-GFCCVEGCSA-N 402.709 1.363 30 10 HDEE C=C(CNC(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1991971546 SQKDVGTXWLHQEQ-ZDUSSCGKSA-N 409.292 1.026 30 10 HDEE N#Cc1cncc(C[S@@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074701911 JZPIRSFAEIMTMT-HPGBDJQBSA-N 401.444 1.972 30 10 HDEE N#Cc1ccnc(C[S@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074713816 YOXJSNCHNROUGI-YMGMXPECSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243399105 WQPZTNZJQKCMCM-STQMWFEESA-N 404.276 1.171 30 10 HDEE Cn1nc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823594 QBSZDPVLFARZCI-OLZOCXBDSA-N 420.319 1.362 30 10 HDEE C[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2250822162 HZVBNDVRPXZUDO-HNNXBMFYSA-N 420.315 1.858 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258132795 DBEWHEPKZAOPTK-INIZCTEOSA-N 408.476 1.320 30 10 HDEE C#CCN(C(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161913 ITWQBZIQHWUOPA-INIZCTEOSA-N 410.492 1.518 30 10 HDEE C[C@H]1C[S@](=O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267369178 SXAWGNBXFBYGPM-APXPCNQMSA-N 405.372 1.189 30 10 HDEE C[S@@](=O)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2267720866 OCWCSTWGMQWWJW-XMMPIXPASA-N 407.750 1.296 30 10 HDEE CC(C)(CNC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2282143418 WPLDZQPWLZAVNU-UHFFFAOYSA-N 402.347 1.243 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282202593 GDAOFYLHAYLFHX-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@@H]([C@H](F)CO)C3)s2)OC1(C)C 2282332701 FQVJFIQARSYOGK-GRYCIOLGSA-N 405.322 1.435 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@](C)=O 2282333471 PCRMUWXGTSDVCI-SHZVTRLKSA-N 401.359 1.421 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1CO 2282334058 WQFKKYOPBLCJHA-STQMWFEESA-N 401.359 1.829 30 10 HDEE CSC[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282338897 QOUYMJHODDFUQK-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CN(C[C@H]1CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503473 APBOSAFTPUKUDA-CYBMUJFWSA-N 401.359 1.845 30 10 HDEE CCS(=O)(=O)[C@@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282617271 FLEDTFYBZRYZDB-LLVKDONJSA-N 400.331 1.092 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)[C@@H](C)CS(C)(=O)=O 2282653811 XYEIKYDQZBUSKU-NSHDSACASA-N 401.359 1.861 30 10 HDEE C[C@H]1C[C@@H](N)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833391 HRYDXBWQHIWMCO-RYUDHWBXSA-N 401.363 1.084 30 10 HDEE CN([C@@H]1CCC[C@H]1O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845387 ROOOSAOQPSESIT-CHWSQXEVSA-N 402.347 1.117 30 10 HDEE CN([C@H]1CCC[C@H]1O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845389 ROOOSAOQPSESIT-QWHCGFSZSA-N 402.347 1.117 30 10 HDEE CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282849064 VZEGRCFFQDOHPO-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3COC[C@@H]3F)ccc2Cl)OC1(C)C 2282866786 PBXVBGDNVXKCGL-UONOGXRCSA-N 405.684 1.654 30 10 HDEE CC[S@@](C)(=O)=NCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282869292 AHNDWXCCNTUINN-RUZDIDTESA-N 422.403 1.443 30 10 HDEE C=C(CS(=O)(=O)NCCc1nc(C(=O)O)cs1)B1OC(C)(C)C(C)(C)O1 2284404412 YAMRCXHCFNJPGM-UHFFFAOYSA-N 402.303 1.491 30 10 HDEE C=CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284413744 NDAKSDHLDRYCED-UHFFFAOYSA-N 421.733 1.962 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@H]3C(=O)O)c2Cl)OC1(C)C 2284428798 WGZGSMHGEUBSMY-WPRPVWTQSA-N 401.677 1.361 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1C[C@H]1C(=O)O 2359401137 WHJOUVMHXULSGN-ADEWGFFLSA-N 401.315 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCCNS(=O)(=O)N2CCC(C#N)CC2)C1 2362291013 OATGBCJQTDEHPD-UHFFFAOYSA-N 402.517 1.082 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(CNC(=O)OC(C)(C)C)CCCO1 2365209778 XGBGYCMDTAKORF-DNVCBOLYSA-N 402.557 1.865 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2365211770 NIUWMROFBLXOOZ-HNAYVOBHSA-N 402.557 1.865 30 10 HDEE N[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@H](O)c1ncc(Br)cc1Br 2367291209 PFWHLGMECQCBKB-XVMOGABASA-N 402.086 1.863 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367807407 SSYXISWCUUPGIX-SPYBWZPUSA-N 400.541 1.292 30 10 HDEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1 21315559 ZLTAABPCRBLQRL-SSDVNMTOSA-N 411.491 1.860 30 10 HDEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@@]3(C)[C@@H](O)CCC(C)(C)[C@@H]3[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)O1 36532669 OHCQJHSOBUTRHG-NNPQDHGBSA-N 410.507 1.520 30 10 HDEE Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3c(C)[nH]c(=O)[nH]c3=O)o2)n1 44441191 BFQZDKDMVUBKIS-JTQLQIEISA-N 418.460 1.079 30 10 HDEE CCN(CC)C(=O)CSc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59039951 PNWUIJQPOIPYCG-CAOOACKPSA-N 423.455 1.834 30 10 HDEE C=CCOc1ccccc1NCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCCCC 66062405 JTAFJYOFSQSEQS-QGZVFWFLSA-N 403.479 1.724 30 10 HDEE C#CCN(CC(=O)O)S(=O)(=O)c1cc(Br)ccc1Br 98032039 FNMKFCNCFGPQPC-UHFFFAOYSA-N 411.071 1.920 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NN=C(C)c2ccc(OCC(N)=O)cc2)c1 254625958 ABIXCFJINPTLDX-UHFFFAOYSA-N 407.448 1.270 30 10 HDEE N#C[C@H](N)CCn1cnc(I)c1I 307194604 PUWWDWGPCKITJA-RXMQYKEDSA-N 401.977 1.333 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 434463907 VSBLJODVYAFHOC-ZBFHGGJFSA-N 423.560 1.786 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)n1 443045484 IIKDHLNVEPCURX-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)n1 444099208 SBJMLBVIKHBPEZ-UHFFFAOYSA-N 420.452 1.764 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2OCC2CC2)CC1 446770242 PSUWKYRNGQPMMF-UHFFFAOYSA-N 400.523 1.913 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 460942748 DGMROIFTEXQFLR-UHFFFAOYSA-N 400.531 1.438 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)cn1 466034109 AHEQDYNMPLAKOJ-VQTJNVASSA-N 407.522 1.808 30 10 HDEE Cc1cc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(C)c1O 470895606 ADNQTJYEMRZYQM-HNNXBMFYSA-N 401.488 1.906 30 10 HDEE Cc1c(Br)cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1[N+](=O)[O-] 471942190 MPNQBGZKOOWFAF-CYBMUJFWSA-N 404.242 1.969 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473443717 MYKBDBHAQCGKIA-SJLPKXTDSA-N 413.455 1.572 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 479902339 OFLZVVJHAYGWJG-KRWDZBQOSA-N 404.536 1.439 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 488583469 RPEJXXDCEVQRBP-RYUDHWBXSA-N 416.413 1.461 30 10 HDEE COC(=O)[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 504964315 XJJFWHZJWPYUCA-HKUYNNGSSA-N 420.425 1.794 30 10 HDEE Cn1ncc2c(N3CCN(C(=O)C4(c5cc(F)cc(C#N)c5)CC4)CC3)ncnc21 505932915 DBNSNMXJWOFVQA-UHFFFAOYSA-N 405.437 1.754 30 10 HDEE COc1ccc(NC(=O)N(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 513654045 JALMHPCAGJKJRP-CQSZACIVSA-N 422.507 1.872 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CC)c2ccc3c(c2)OCCO3)CC1 522318618 KZOOMMSWZCJSEU-QGZVFWFLSA-N 402.495 1.538 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 541244934 FNOIKMOILIRAMH-SFHVURJKSA-N 422.489 1.708 30 10 HDEE COc1ccc(COC[C@@H](O)CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 544881534 HFRNDNMTCSBQTO-IBGZPJMESA-N 412.490 1.670 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546800814 CSCBYMDDSACRSG-ROUUACIJSA-N 410.584 1.522 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](CN(C)S(C)(=O)=O)C3)cc2C1=O 560724073 ILUANFOOIGKMQE-AWEZNQCLSA-N 419.503 1.212 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCN(c2ccccc2CNC(=O)C[C@@](C)(O)C=C)CC1 564473431 JZKSHRCBYSDPIU-XZOQPEGZSA-N 415.534 1.606 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSCC 571843294 ZHSUAANQMDGLLU-CABCVRRESA-N 417.601 1.765 30 10 HDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 603797278 CKIHGYRFSMCGAG-QGZVFWFLSA-N 421.478 1.824 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 619666516 OZFBVMWINBYIMV-UHFFFAOYSA-N 406.386 1.956 30 10 HDEE C[C@H]1CCCCN1S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 718795547 ALWQLKFZEPYGOU-LBPRGKRZSA-N 401.363 1.651 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 729334449 PKYFPUOOEOVHDR-GOSISDBHSA-N 408.483 1.991 30 10 HDEE N#C[C@@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCN1C1CC1 732668488 GVJSPQYRBZUBNT-CVEARBPZSA-N 403.280 1.753 30 10 HDEE COc1ccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1C#N 747430493 LZRXXSBJVBLAOA-UHFFFAOYSA-N 416.503 1.995 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 748064654 XHILFPMFYWUWFX-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 749244102 AOSUPHRHTDXWBS-UHFFFAOYSA-N 420.512 1.073 30 10 HDEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 752443208 HVDMCPVLPLGBFT-JGWKNBOWSA-N 405.476 1.272 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758771252 ZWCDJXVJSQEOHC-STQMWFEESA-N 402.517 1.210 30 10 HDEE COc1cc(OC)cc(C(=O)Oc2ccc(C=NNS(C)(=O)=O)cc2OC)c1 764698314 DJYLGLIXSOKVST-UHFFFAOYSA-N 408.432 1.815 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c1 765170701 PDLCFPCDZBNBTM-RHSMWYFYSA-N 421.519 1.583 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 773325192 PMLICWAOUBMMAY-UHFFFAOYSA-N 404.579 1.796 30 10 HDEE C#CCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 773636781 YUMGYOQWWHKBEI-ATVHPVEESA-N 418.515 1.868 30 10 HDEE CC(=NNCC(C)(C)S(C)(=O)=O)c1cc2c(cc1Br)NC(=O)CO2 774480693 CLEBGYUDKXVHOR-UHFFFAOYSA-N 418.313 1.917 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)NC(C)=O)cc1 779317471 HBPAXXLYGBZXSS-QGZVFWFLSA-N 407.492 1.792 30 10 HDEE Cc1cn2c(n1)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 782821169 DZFVTVXTMYJLER-UHFFFAOYSA-N 415.519 1.833 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)cc1C#N 787734234 ANOZZTFWYLMMQO-IBGZPJMESA-N 420.469 1.663 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)C(F)F)cc2)n1 788815520 PNSGINBFQUFQAL-UHFFFAOYSA-N 411.430 1.801 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnccc3C)CC2)ccc1F 798640893 UXBGJYZRGQHKHW-UHFFFAOYSA-N 418.494 1.956 30 10 HDEE C[C@H](C(=O)OCC(=O)NCCOc1ccc(C(F)(F)F)cc1)n1cnc(C#N)n1 798743141 ZHXZIXLCTXXBSN-LLVKDONJSA-N 411.340 1.468 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1cc(I)cc(C(=O)OC)c1 799223219 GOUJRSQEODJTTA-CYBMUJFWSA-N 416.215 1.974 30 10 HDEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 805232070 ZAVHLLUVBILNIG-QAPCUYQASA-N 401.463 1.031 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cc(C#N)cc(N(C)C)c2)C1 814572119 BBDGRQKLAHVVEH-GOEBONIOSA-N 401.463 1.971 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)cc1 1083888339 HVDRGMNYLCWLII-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC[C@H]3c3ncon3)C2=O)cc1 1116108308 GBSLWHINCNYHAT-CVEARBPZSA-N 408.418 1.900 30 10 HDEE C#CCCN1CCC(NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1136962142 BRGACDVPJPWXMW-UHFFFAOYSA-N 418.542 1.801 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1138834965 CQCVNSWYJGPZIO-AWEZNQCLSA-N 401.529 1.327 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 1144429216 OTNYKJIDINBBNV-HTXNQAPBSA-N 403.460 1.269 30 10 HDEE CO[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1cnn(C)c1 1146297244 DPRYQZSPNPLNOO-FQEVSTJZSA-N 405.462 1.718 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1C(=O)NC2(CCCC2)C1=O 1152029147 INJGTPMKAAKGLO-CQSZACIVSA-N 413.453 1.599 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)o1)S(C)(=O)=O 1153357927 HUBSXTFTIGAPHD-CQSZACIVSA-N 404.448 1.435 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3nnc(C)s3)CC2)c1 1156078807 TVPXOISHVICFSV-UHFFFAOYSA-N 407.521 1.273 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156254440 NKDZTXHHESBBIP-INIZCTEOSA-N 415.494 1.452 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(N3CCCS3(=O)=O)cc1)C2 1158216532 XOJVFHBZORFAMV-UHFFFAOYSA-N 402.501 1.940 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)[C@@H]2C1 1162527634 YASHLLRCOLXDPM-NERIXLHVSA-N 404.467 1.371 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 1165488661 CASIVLKONFWYHC-LSTDLKDCSA-N 402.520 1.776 30 10 HDEE CC(C)(C)[C@H]1CNC(=O)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1176474657 PEOBYUUJMCYORK-NVXWUHKLSA-N 403.552 1.303 30 10 HDEE C[C@H](N[C@@H](CO)c1ccccc1I)C(=O)NC1(C#N)CCC1 1176842028 NXYPAZRDAUVLAV-FZMZJTMJSA-N 413.259 1.865 30 10 HDEE N#Cc1cc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ccn1 1208085295 GODSKFGJQZMCKK-MRXNPFEDSA-N 408.466 1.370 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)C(=O)OC 1211664046 DULONOJNBDNERJ-ZDUSSCGKSA-N 423.846 1.678 30 10 HDEE N#Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)s1 1230238442 RZNPATFPFNKFJC-UHFFFAOYSA-N 402.501 1.906 30 10 HDEE CC1(C)[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H]1OCc1ccccc1 1235186818 QDEANLPAHLDTDJ-XKGFGPFHSA-N 417.531 1.950 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)[C@@H]2C1 1251337286 MSNHQMQLTGRHKK-ANQUJSFKSA-N 400.483 1.020 30 10 HDEE COC(=O)c1cc(Br)c2c(c1)CN(C(=O)NCC#CCN(C)C)CCO2 1251712062 VCJWSBHKJNEGMK-UHFFFAOYSA-N 424.295 1.705 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1254635537 DHVLSTHUIUGZMB-ZBFHGGJFSA-N 404.463 1.869 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nn1 1276646086 FAFLVPANARMDOQ-CQSZACIVSA-N 407.471 1.320 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286376603 GYMWGXWMKAKXJL-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)CN1CCOCC1 1286402568 YQLCEBLRNURFFK-GOSISDBHSA-N 422.489 1.894 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1286410283 YTLJVLIZEXPBOX-UHFFFAOYSA-N 414.535 1.472 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCC(F)(F)F)CC1 1286475874 JGCRUEGBEBRLBR-UHFFFAOYSA-N 406.412 1.379 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCc2cn[nH]c2)CC1 1286491160 HNRPTKRSNPQRKX-UHFFFAOYSA-N 418.505 1.196 30 10 HDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1286686143 AWKCLDQXSFHLKO-OAHLLOKOSA-N 421.505 1.860 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286780490 WASYMWNARGLPBU-FQEVSTJZSA-N 414.897 1.760 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC[C@H]21 1286814671 VNQBIOBFIRNJQD-GOEBONIOSA-N 409.556 1.786 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1288999817 SNBBEPRZPULHIT-WBVHZDCISA-N 412.469 1.651 30 10 HDEE CO[C@@]1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCSC1 1289099025 FYBVGULMNGJPNO-LJQANCHMSA-N 423.560 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCc3cccc(OCC#N)c3)nn2)C1 1293361105 FPZUPYCOABYJIV-UHFFFAOYSA-N 412.450 1.902 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300484560 QGLYGKRGTMQLEI-QGZVFWFLSA-N 421.567 1.431 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1300629197 NSRUZZFBRNFCQR-FQEVSTJZSA-N 402.520 1.186 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1301087771 UEHVTOHGGQVSKV-GOSISDBHSA-N 416.551 1.844 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C(=O)NC)c1 1301272393 GUBOTABIGIJETN-AWEZNQCLSA-N 420.539 1.113 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301490622 WSWCXLVVRMAGER-KRWDZBQOSA-N 410.478 1.451 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1301508378 JGFRGUTYAOIRHX-HOCLYGCPSA-N 418.542 1.882 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1305520024 ATIHFQTYRNFNMR-KSFYIVLOSA-N 422.537 1.863 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306351346 LFSOVHRZULQEDL-NHWLHPCLSA-N 400.483 1.687 30 10 HDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)C1 1308033086 KOKJCKMBKUFNFQ-OAQYLSRUSA-N 414.437 1.653 30 10 HDEE CCn1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)c1=O 1313849562 JTUGMIGIXZJEFQ-CQSZACIVSA-N 423.477 1.974 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1314815455 KMPZAXXFFULCTB-HMWBCQRISA-N 411.466 1.272 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2CCN2CCCS2(=O)=O)cc1 1316529999 GNYSJBDSAXTBFE-UHFFFAOYSA-N 418.548 1.405 30 10 HDEE C#CCN(C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)c1nccs1 1355157329 ZVBBVPFMYXDTAK-UHFFFAOYSA-N 402.501 1.970 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1358918019 IKTQXQFQUGLDDZ-RXVVDRJESA-N 403.527 1.255 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1358943301 DGGCRBXDRXKIJA-AEFFLSMTSA-N 408.466 1.042 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358963370 GTTCCWPQUQXVDB-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1358997768 DQYBMMLQLSYFKE-HSZRJFAPSA-N 423.517 1.395 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1359076551 FLHPDDFSXSFCQG-UHFFFAOYSA-N 418.361 1.674 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 1359132368 VUFPPFHGXLSOFJ-GJZGRUSLSA-N 418.523 1.856 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)CC1 1359178882 FNRXGIVHZVKKIB-MRXNPFEDSA-N 404.540 1.673 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1)C1CC1 1359246960 PQLPDELLVSOJAE-QRWLVFNGSA-N 419.551 1.951 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1359630749 DWJIEUSKXZMEBP-GOSISDBHSA-N 407.478 1.708 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc(Cl)nc3)n2CCNS(C)(=O)=O)C1 1360784025 XBLNWMXPDRIUPE-QGZVFWFLSA-N 423.930 1.673 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1438911949 OZPZMUGLYHFQSV-CABCVRRESA-N 411.499 1.468 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)c1 1440878762 QHXMFQZOJUEQRI-UHFFFAOYSA-N 419.272 1.734 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCS(=O)(=O)C3)C2)C1 1444082093 OFFBUAILUQKNNK-UARSRXHTSA-N 411.524 1.467 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC[C@H](O)[C@@H]2C(=O)OC)cc1OC 1447745534 XNTLDNBCOAWQKN-OXJNMPFZSA-N 422.478 1.750 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC3(O)CCOCC3)C2)C1 1449306095 XBVPKAHEXLRYPO-NGEICVOHSA-N 407.511 1.821 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1455924432 HNZNTFNUEMGXSJ-GOSISDBHSA-N 412.490 1.466 30 10 HDEE O=C(Cc1ccccc1)NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458004859 UXNUQIZIDWHYDW-UHFFFAOYSA-N 409.442 1.640 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c(=O)n1C 1459204710 CKNKQHPZLIZIFU-UHFFFAOYSA-N 412.833 1.957 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 1464249891 MUZMTEGVDVVFAI-AWEZNQCLSA-N 411.437 1.891 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1 1464571983 FHXSSZICEDBDSQ-GDBMZVCRSA-N 419.478 1.668 30 10 HDEE COC(=O)CN(CC#N)C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1465342432 LZDKTIJIQSADTA-UHFFFAOYSA-N 415.450 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(-n3nnnc3O)cc2)CC1 1466901646 KNBGVDMQRUSHHE-UHFFFAOYSA-N 412.450 1.957 30 10 HDEE COC[C@H](C)n1c(SCC(=O)N[C@H]2CCN(O)C2=O)nnc1-c1ccccc1 1468373378 CEFQYDFPZXPXQP-JSGCOSHPSA-N 405.480 1.351 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)CC2)c1 1471182051 NEDZQLRCDNFLFF-LJQANCHMSA-N 409.490 1.929 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OCC 1475305346 LHMOBSVSXDGQSW-CYBMUJFWSA-N 409.913 1.920 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1475460519 IDESZMIDZUXVPF-ZDUSSCGKSA-N 418.309 1.987 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 1478960419 QUUKBAPKOCIQJQ-MHZLTWQESA-N 406.405 1.840 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619661 YVBXFXHYJKWUTJ-DJJJIMSYSA-N 402.455 1.143 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507563360 GGXZBRVNQPVSRY-KSZLIROESA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1507607614 ASCGZOJTXLUWKG-UHFFFAOYSA-N 419.537 1.333 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(F)cc1)N(C)C 1507636652 CFFMOYWUBLUMPF-IBGZPJMESA-N 410.497 1.931 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1507671145 DFJZAVFCEWETEB-HSZRJFAPSA-N 415.501 1.458 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCC2CCOCC2)CC1 1507719473 NVLYDDLIYLWHKW-SFHVURJKSA-N 405.543 1.574 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1507728289 QCDKEKKBESZTDO-HXUWFJFHSA-N 400.571 1.343 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1507753479 LMHPGNKAYNEYSQ-SFHVURJKSA-N 418.611 1.730 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507795370 HYBHBVXFXCHHIR-SXLOBPIMSA-N 416.570 1.701 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC)CC1 1507797367 CXPGHVYQCQVKNV-NUJGCVRESA-N 416.526 1.173 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507888534 HIDDKCUHRDPCSW-GOSISDBHSA-N 416.551 1.844 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1507978655 QTTVBOWUYIMKRG-UHFFFAOYSA-N 401.496 1.302 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508090445 NLQOQXTWNUOGAB-RTBURBONSA-N 416.570 1.787 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508742087 FTUYHJGNCFDZAH-GOSISDBHSA-N 410.522 1.746 30 10 HDEE CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1509723950 FJGOESKFEWGAEZ-UHFFFAOYSA-N 422.537 1.739 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1512564282 GTKOGUUPMSCDBV-BCHHYXHLSA-N 418.523 1.250 30 10 HDEE CCc1nc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)cs1 1513752299 ULSSSROXSCTRHR-UKRRQHHQSA-N 406.512 1.798 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1Cc1ccc(C#N)o1 1519313680 CFKQQVUKUQNSPR-UONOGXRCSA-N 402.455 1.182 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1521062669 HAGPAENJXQGXIH-DNVCBOLYSA-N 421.473 1.885 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(S(C)(=O)=O)ccc1Cl 1525871186 OXDZTWFDXUYDKY-NSHDSACASA-N 420.882 1.151 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1526525600 BSSDOTSLSYLNEH-JKSUJKDBSA-N 422.503 1.871 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1530725863 VSVVCNONXINAJV-CVEARBPZSA-N 423.491 1.540 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@@](C)(C#N)C2)o1 1533110926 YEBDSMWQVXJKAA-UGSOOPFHSA-N 409.464 1.372 30 10 HDEE COc1ccccc1Oc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc1 1536179274 FZYCVLSLQSOZDT-XOBRGWDASA-N 413.455 1.893 30 10 HDEE COC(=O)c1c(C)cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1C 1537639086 QYWKCWUXLVYMRU-UHFFFAOYSA-N 416.459 1.929 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1Br 1538844844 ZADHDAUMZLFVSI-OAHLLOKOSA-N 416.297 1.454 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539062940 HTBNBMZKSNKFMO-KRWDZBQOSA-N 407.478 1.616 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](F)COC 1539390243 NTBKQPLSEHGILM-IRXDYDNUSA-N 403.433 1.993 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1539417727 RCPXANJVKJNECC-MRXNPFEDSA-N 420.510 1.529 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539525817 CZQBDFCVYFLEAT-JKSUJKDBSA-N 416.507 1.620 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1539828919 RAYVYSSSNPHERP-JYJNAYRXSA-N 413.544 1.096 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1C(=O)OC 1540165876 AMFHVODARDTLOR-IRXDYDNUSA-N 412.398 1.764 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(F)(F)F)C1 1540861798 GYGIERBNWPKKHF-CYBMUJFWSA-N 414.432 1.595 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC1CC1 1540870377 LWODPNOAJXJCJP-UHFFFAOYSA-N 424.553 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1540903242 BHAPWAQMGMJGAF-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)Cc1ccc(OC)cc1)c1cc[nH]n1 1542719130 XMYUWITUOUNNNN-AWEZNQCLSA-N 402.451 1.792 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccncc2Cl)n1 1543066998 MEGRUSSTVDOMAG-INIZCTEOSA-N 412.885 1.965 30 10 HDEE CCOC(=O)CN1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1545240053 GNNHOQDLTBMNSM-UHFFFAOYSA-N 400.479 1.764 30 10 HDEE CCOC1CC(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1548013016 BUSJTZZKGQLKQY-JCYILVPMSA-N 402.499 1.448 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1554239069 AUYVOFASGSRMKW-INIZCTEOSA-N 418.523 1.181 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@@H](C)C1 1554504515 FECWSAIIORWCIA-ZDUSSCGKSA-N 406.537 1.308 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1555362934 FBOZHYTVNLYXGV-INIZCTEOSA-N 418.523 1.181 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)C1CC1 1555663313 KMMSSSQYQLZCFO-FPDPHYFHSA-N 418.542 1.340 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1555988711 MGSUSBRNILHUHG-ROUUACIJSA-N 410.478 1.324 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nn1 1556453779 JQRNKAXTQIQJLU-WMZOPIPTSA-N 402.886 1.725 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@H](C)CC)C(=O)OC)ccc1F 1557189668 ZQBVIKCCONIAAH-IUODEOHRSA-N 400.472 1.998 30 10 HDEE CCOC(=O)c1[nH]nnc1[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1558299894 RBDUEUIQWKTFAD-ZBFHGGJFSA-N 422.445 1.570 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1558325550 ZGDBDBSDVIMJAM-MRXNPFEDSA-N 418.475 1.068 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1558421561 FJUOSKBCZJRIFE-KRWDZBQOSA-N 411.543 1.972 30 10 HDEE C[C@@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)c2ccc(Br)cc2C1=O 1558776483 WZWGUKYTODZSHF-NSHDSACASA-N 420.263 1.870 30 10 HDEE C#CCOCCN(C)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1558867038 ZMTOKJUZGAQARF-UHFFFAOYSA-N 408.398 1.362 30 10 HDEE COC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1564547967 ZJBPLVDVLVMXPJ-MOPGFXCFSA-N 400.479 1.794 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)NCCNc1ccc(C#N)cn1)C(F)(F)F 1565252644 SVBZJGPUIQZWMJ-GFCCVEGCSA-N 419.429 1.892 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)CCS2 1565446795 QGLQFCXIWRCUGD-XAUUPUKJSA-N 403.508 1.882 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@@H](O)C[C@H]3OCC)c1 1565910847 HHFUABMNYFNKDY-RBUKOAKNSA-N 405.516 1.876 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)C(C)(C)CN2CCOCC2)ccc1F 1570274242 XROYJYYLKHKTPQ-UHFFFAOYSA-N 413.515 1.473 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1585446346 RKXHCDFBYHHVQR-XXBNENTESA-N 418.453 1.925 30 10 HDEE CCOC(=O)C1=CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1586293209 ITIFVPSZFYPQCV-RDJZCZTQSA-N 410.430 1.531 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1586803285 BROAZJJIFYBIQT-WMZOPIPTSA-N 406.464 1.900 30 10 HDEE COc1cc(NC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)c(F)cc1C#N 1587091936 BKKPXIHYPYXZDC-UHFFFAOYSA-N 406.414 1.724 30 10 HDEE CC(=O)N1CCC(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1587373177 HMKZVXJUQSPMMA-UHFFFAOYSA-N 405.296 1.884 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1587851622 KYGRKJHJRUJYPH-GOSISDBHSA-N 421.505 1.068 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1588387470 URMUHHOEAJFHIU-CVEARBPZSA-N 415.460 1.895 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1589395061 QKSAJORTQLFBHB-RWMBFGLXSA-N 423.315 1.195 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589530538 WMCXMQZNAQPSBZ-AEFFLSMTSA-N 423.583 1.997 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)CC1 1589558990 NEYOLDJNBRVZDH-FPOVZHCZSA-N 410.522 1.914 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1593884257 GQGMPEHONRUZQC-CYBMUJFWSA-N 409.899 1.596 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1594824796 QFIWDEICLPPSDT-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCO2 1595266910 MYNLVNFLNLHARF-UHFFFAOYSA-N 413.478 1.930 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4nc(C)cc(O)n4)C3)cc2C1=O 1595960230 UHMAZDIUTCCNPR-OAHLLOKOSA-N 421.457 1.671 30 10 HDEE N#Cc1cc(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cnc1C(F)(F)F 1596071789 MPNFTSHHXPNHTA-INIZCTEOSA-N 405.380 1.998 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(F)cc1F 1597372446 XPUUZFBRDNXWRJ-SGTLLEGYSA-N 406.414 1.469 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C(=O)CNc3ccc(C#N)cn3)CC2)nc1 1597684168 IBWYOYRCTBLJRZ-UHFFFAOYSA-N 408.462 1.676 30 10 HDEE CN1C[C@@]23CCCC[C@@]2(C1)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C3 1607912377 FGBICEGRMQRRLS-NHCUHLMSSA-N 401.532 1.807 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)CCO1 1611490006 XOGDMLVBXYVJLA-KRWDZBQOSA-N 413.883 1.116 30 10 HDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1611965331 UWZKONSKFWJPFT-GJZGRUSLSA-N 400.483 1.866 30 10 HDEE Cc1ccc(C(=O)NCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)cc1 1611975904 HWPVSTVMWOTBMT-QGZVFWFLSA-N 423.521 1.848 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1613025626 FNWXUNFYCZEABC-RZAIGCCYSA-N 406.849 1.975 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N(C)C1CC1 1620099741 MGGFISFHWRSSRI-RPWFAHAXSA-N 406.506 1.927 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCNC(=O)C2CCC2)CCO1 1620356446 YUQOOENMPPUOTI-SFHVURJKSA-N 409.494 1.299 30 10 HDEE C=CC1(CC(=O)N2CCC(C(=O)NCCN(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1620567714 LARFKBQNHWCBBN-UHFFFAOYSA-N 422.570 1.716 30 10 HDEE N#Cc1ccc([C@@H]2CN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)CCO2)cc1 1620624469 YHLQLNYUQUYLAC-IBGZPJMESA-N 407.409 1.685 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1622328047 KBANBZIPKVENBJ-IBGZPJMESA-N 404.492 1.459 30 10 HDEE Cn1[nH]c(C2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)nc1=N 1622437436 BOMRGJUUHNCEBP-UHFFFAOYSA-N 414.413 1.686 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3cccc(Br)c3)c2S1(=O)=O 1623138920 PKZDBVVYFGYZNP-CYBMUJFWSA-N 424.280 1.274 30 10 HDEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1n1cccn1 1624304386 VITZCFSTXBIMOB-OCLCUABKSA-N 401.467 1.413 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN(CC)S(C)(=O)=O)n[nH]2)c1C 1626322791 FLPPVRHQCQPWMK-UHFFFAOYSA-N 408.528 1.477 30 10 HDEE CN1CCN(C(=O)N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)CC1 1628335084 QFRVLXKXCIQNAL-UHFFFAOYSA-N 408.424 1.569 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1629601128 PSEBCERGFODYCR-UHFFFAOYSA-N 405.208 1.787 30 10 HDEE C=CCn1cc(C(=O)N2CCN([C@H](C(=O)OC)c3ccc(Cl)cc3)CC2)nn1 1629807805 YJQNOCUAWBRFFC-KRWDZBQOSA-N 403.870 1.790 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[C@@H]3NS(C)(=O)=O)n[nH]2)c1C 1630585543 PSBNGTXCDOXZGG-CABCVRRESA-N 420.539 1.524 30 10 HDEE CCOC(=O)[C@]1(F)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC12CCC2 1632678347 KKRPWIUQBPMISX-HXUWFJFHSA-N 422.478 1.757 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)C(=O)C1 1634471294 XMGMZRCRNXQVTE-IERDGZPVSA-N 420.510 1.377 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1635061553 DBIFIGVKSKMGSC-UHFFFAOYSA-N 407.474 1.715 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1635284592 NWNGIUWUOACATB-CKEIUWERSA-N 407.898 1.839 30 10 HDEE C=CCN(CCOC)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1635612074 LNRCRRRMRCVHBH-HKUYNNGSSA-N 410.536 1.595 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1637278043 DXMGQXQSVPNIKV-CHWSQXEVSA-N 410.496 1.254 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1638810558 KQOWSUJOBACHPT-HOCLYGCPSA-N 415.494 1.664 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cc(Cl)nnc2C1 1639964288 ZPNVZRYQCPPHOU-UHFFFAOYSA-N 405.867 1.144 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1640109294 VEIHYNIXJWOMBS-IRXDYDNUSA-N 410.467 1.563 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1-c1cccc(F)c1 1641282837 WOFHXVCLFCASSY-UHFFFAOYSA-N 410.405 1.304 30 10 HDEE Cc1[nH]nc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1I 1641702060 AVCHIBPKCCXWRX-NSHDSACASA-N 423.214 1.883 30 10 HDEE C#CCNC(=O)C1CCN(C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 1642862085 QTXACZACOPRGLT-QHCPKHFHSA-N 413.518 1.612 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@@H]23)ccc1F 1645812997 IAJTVULYMOVOCC-KQTLUZQSSA-N 410.467 1.608 30 10 HDEE COc1nscc1CN(C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1647844132 MCDGFHVEWZAFND-LLVKDONJSA-N 408.505 1.627 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCOC3=O)CC2)c1 1647998391 NBHGIOQWCUIIJG-UHFFFAOYSA-N 404.488 1.931 30 10 HDEE CC(C)(C)OCCCN1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1651002838 DLTKDNZHJQZLKC-UHFFFAOYSA-N 422.551 1.075 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1651052679 UDWNGYALYYPOHI-AWEZNQCLSA-N 422.425 1.998 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CC1)[C@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1653161205 QZVCBUGLCGRRBW-FRIZHTMISA-N 405.520 1.825 30 10 HDEE Cc1c(Br)cc(F)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653763080 OITGGHPLZSUSIJ-UHFFFAOYSA-N 407.199 1.728 30 10 HDEE COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766627 GBVRGKCEIGKPGY-XLPZGREQSA-N 412.277 1.767 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]12NC(=O)N(Cc1ncc(C#N)cn1)C2=O 1656312196 DJNZBSKWYIMNEH-JLTOFOAXSA-N 414.466 1.854 30 10 HDEE C#C[C@@H]1CCCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1659178455 UNNNDMOGWXVMJI-LJQANCHMSA-N 419.547 1.616 30 10 HDEE Cn1nc(O)c2c1CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)CC2 1659793303 WBQUHPCWHBXBAV-SFHVURJKSA-N 412.469 1.032 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)CC1 1672533167 QHGMSLIJXRYXFE-MRXNPFEDSA-N 407.515 1.695 30 10 HDEE N#Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1F 1681809128 QOVFHUVJRGPRES-UHFFFAOYSA-N 412.393 1.753 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)c1 1683739165 GQGFAAWEWDPBKA-UHFFFAOYSA-N 401.434 1.232 30 10 HDEE C#C[C@H]1COCCN1C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543926 ZIEUZBSRYSTMPR-LSDHHAIUSA-N 401.467 1.318 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)nn1 1686847991 STWRCMPTORITLV-OAHLLOKOSA-N 419.283 1.609 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1689852894 MDENDSVTSCFWAZ-NVXWUHKLSA-N 423.583 1.895 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1689999853 JUVBMQBQFYJGQQ-UHFFFAOYSA-N 405.549 1.823 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2nc(C)c(C)s2)CC1 1690120134 IFILTGQTZCQFJV-UHFFFAOYSA-N 408.535 1.806 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCCC2)CC1 1690129509 ZKXUGGALAGIUKM-UHFFFAOYSA-N 407.522 1.065 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCCOC)C1 1690170020 WPXBLNQCMKADBS-MRXNPFEDSA-N 402.524 1.733 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690309901 NECYAUFKLIWJGA-ZWKOTPCHSA-N 418.542 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690725692 YVHUIBKKOHECSA-JKSUJKDBSA-N 400.545 1.318 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CC2COC(C)(C)OC2)n1Cc1ccc(C#N)o1 1692508096 YLAGKHASICWZMH-UHFFFAOYSA-N 416.482 1.765 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCO)C1 1692852917 LULMGCGSSAYNHP-HXUWFJFHSA-N 416.482 1.535 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C)O1 1693831188 SOYAZYXFHWLSTD-XCGNWRKASA-N 424.505 1.821 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1696893219 HLLSBCQXYIFLCC-UHFFFAOYSA-N 406.494 1.959 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCC2)CCO1 1698490563 DNPXXITXURXLGF-LBPRGKRZSA-N 407.272 1.679 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1705618489 JBKSOBGYEOYYRP-OAHLLOKOSA-N 423.564 1.938 30 10 HDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1705724547 WXTCCHWGHZBOKC-CYBMUJFWSA-N 405.528 1.514 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1705808555 QQMGSZWXOWPJIG-UHFFFAOYSA-N 403.531 1.608 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705816654 NQFROPFVZQQSLV-HNNXBMFYSA-N 407.544 1.410 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC)C1CC1 1705854883 QDEDWSOXMFAJLN-AWEZNQCLSA-N 403.508 1.787 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCS(C)(=O)=O)C1 1705926657 IKRFCNZIGIYLLB-HNNXBMFYSA-N 411.553 1.460 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1706747534 AEVGVMZFOCOSFB-ZDUSSCGKSA-N 421.461 1.891 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1711027852 CNVHMWVZUSJUKB-INIZCTEOSA-N 401.492 1.355 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@](C)(O)c1ccccc1 1722398183 RQAHMFOZPHSVFH-WMZHIEFXSA-N 405.502 1.990 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1722459720 PPDVGHPSBRYSMW-LSDHHAIUSA-N 412.581 1.550 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722629425 QUNPXEJZJPWJHU-LJQANCHMSA-N 404.540 1.928 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccccn1 1722729612 QVOPUPNPJNKNFJ-UHFFFAOYSA-N 412.519 1.896 30 10 HDEE CC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CC1 1722761500 GJYQCLFLYHKPOZ-HNNXBMFYSA-N 401.515 1.397 30 10 HDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1724871339 UMGIEPLTBGLKEP-UHFFFAOYSA-N 405.466 1.962 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCC(=O)N1CCOCC1 1740614055 DEHNTWXXZNQDRC-UHFFFAOYSA-N 411.506 1.738 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1740638345 GXMDMXSNITWSJX-UHFFFAOYSA-N 411.531 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(C)C)C(C)C 1740640501 OQSOEPBYDDBLGJ-GOSISDBHSA-N 405.568 1.372 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1740709186 CALKZCKVWSSERN-UHFFFAOYSA-N 422.555 1.451 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1740773767 DBMFWNNRBMFWGW-KRWDZBQOSA-N 417.535 1.730 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1740787332 GVUGKBYUDHXGNO-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC)C1 1740884636 HNRUNUVHFRBARX-OAHLLOKOSA-N 419.482 1.450 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1740932596 ROUFQLOJOMGXAU-HAWMADMCSA-N 414.597 1.906 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1740939369 VRHDQBOWKJKXTH-CYBMUJFWSA-N 423.315 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740954413 LRILYOJRRSEJMG-MGPUTAFESA-N 401.467 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740957427 NPDMIZAMVLOQHV-QGZVFWFLSA-N 406.494 1.760 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCCOC1 1740991359 UWMIRXXKYTWFAL-SJORKVTESA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740993204 ZJNILQUDYSVCOX-SFHVURJKSA-N 411.528 1.108 30 10 HDEE CO[C@](C)(Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C1CC1 1748374395 TWKQAQULSVSBCH-UIFIKXQLSA-N 419.526 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1748640485 VTAXKHBQCWPGBL-GJZGRUSLSA-N 424.571 1.137 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1748665607 SLETVLBMLPVCIZ-LIRRHRJNSA-N 404.540 1.857 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1748772023 MIKNIQIDDANEFK-LBPRGKRZSA-N 411.528 1.867 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1748804670 JROPAOVZNLQEER-IAGOWNOFSA-N 423.583 1.581 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCNC(=O)c2occc2C)CC1 1749000028 KLJVDGLDGKAPLZ-UHFFFAOYSA-N 414.510 1.291 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749126304 AQBWVVYKKRWIPE-FXRXJOCMSA-N 415.494 1.615 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)S[C@H](C)C1 1749214387 YCWNULAMSZJEFY-KFWWJZLASA-N 417.601 1.811 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749342341 YPYOQEWVPVMCLT-VQIMIIECSA-N 410.540 1.472 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1749590825 GPWKEJHWMYUKIO-INIZCTEOSA-N 400.483 1.536 30 10 HDEE C#CCCCC(=O)N1C[C@@H](C)OC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1757835472 ZOZOWEQNBJVCRY-KKEPMVJESA-N 400.519 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1760099936 OFBISZWVGOBJBS-QVKFZJNVSA-N 412.494 1.319 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 1760217139 QFPYGYIWTCNPIV-LJQANCHMSA-N 409.538 1.642 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCn2ccnc2C1 1760251263 VAMJNRDAUYESCA-LJQANCHMSA-N 405.506 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(C(=O)NC)c2)CC1 1760268899 QYACPUUZBZLBEQ-UHFFFAOYSA-N 420.517 1.529 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCc2cnn(C)c2)CC1 1760270433 XGVRMUQIOBJCPH-UHFFFAOYSA-N 409.538 1.878 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760347331 RLDIOIRPXZNVBR-LJQANCHMSA-N 415.586 1.581 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 1760500628 QRGMUSWYAHLDFI-GOSISDBHSA-N 404.559 1.885 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1760521691 AZUHJOSKHFCZPQ-UHFFFAOYSA-N 419.574 1.753 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)CC)CC1 1760524276 UIYBRLOKYRTALC-KRWDZBQOSA-N 404.559 1.785 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760525455 GVBIGMIWCHCKKN-ZFWWWQNUSA-N 424.427 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC[C@H]1C 1760552887 DXGDTTABXNNDSU-CQSZACIVSA-N 420.491 1.500 30 10 HDEE CC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1763362095 QFHWLAVPDKPBSJ-ZFDMEJTGSA-N 415.498 1.322 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC(CC#N)CC2)n1 1767533015 ZIYISHJXLIJVNZ-UHFFFAOYSA-N 413.436 1.849 30 10 HDEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1769013058 FHNLHYKQQVVRSG-JOCHJYFZSA-N 418.505 1.885 30 10 HDEE N#Cc1cc(Br)c2c(n1)CCCN2C(=O)c1cn(C[C@H]2CCOC2)nn1 1849366576 SSUOJJHERAGSAS-LLVKDONJSA-N 417.267 1.937 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1849658821 YNBDXTRKFBMXCS-KRWDZBQOSA-N 402.520 1.863 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1849981102 DZCDDUHNBWFKPX-GOSISDBHSA-N 411.502 1.806 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc32)CC1=O 1850617032 FWIDKJIWXVNABI-GOEBONIOSA-N 417.487 1.138 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)N2CCc3ccccc32)CC1 1851220921 CIWWCFVPIKDMRG-RBUKOAKNSA-N 401.470 1.827 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCNC(=O)c2ccccc2)CC1 1851877719 LYKWLEGLCCQUIG-UHFFFAOYSA-N 407.474 1.439 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCCCc2cnc3ncnn3c2)cc1 1852771178 GQYIIBDJHCDNFQ-NRFANRHFSA-N 422.489 1.725 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1853746447 KERCIGMGVMSNAW-KRWDZBQOSA-N 407.467 1.353 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638773 TYAJRQIRVPUITD-SUMWQHHRSA-N 407.467 1.835 30 10 HDEE CCOc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cn1 1855170365 PQTQGVJBJQUUTG-OAHLLOKOSA-N 406.442 1.908 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C)cc3C)[C@@H](C)C2=O)CC1=O 1855217955 DUUQXAFFGLDSQA-ROUUACIJSA-N 411.502 1.580 30 10 HDEE CCCCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855620272 HHYGENXRRJVUEH-KRWDZBQOSA-N 418.519 1.784 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCOC2)CC1 1855857278 KSGUORHMQIBEEP-AWEZNQCLSA-N 403.460 1.063 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1(C)C 1856402394 OSGQCGUZVJAZAC-GOSISDBHSA-N 419.547 1.784 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H](F)CC3CCC3)C(=O)O2)CC1 1856671369 BSCZMRMPHMNBJM-GJZGRUSLSA-N 401.460 1.427 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(Cc4ccccn4)CC3)CC2=O)ccn1 1856746340 JCJTUPXKHZVPLG-QGZVFWFLSA-N 404.474 1.155 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cccc(Br)n3)C(=O)C2)C1 1856862669 VKIOXIJTLIINMU-AWEZNQCLSA-N 407.312 1.779 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)cc1 1869923914 UUGREZZQTMPIOT-UHFFFAOYSA-N 420.381 1.742 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2cccnc2)n([C@H]2CCS(=O)(=O)C2)n1 1870002650 TUXZOPLULDVXFV-HNNXBMFYSA-N 402.480 1.463 30 10 HDEE C=CCn1c(C(=O)NCCC)cc2c(N3CCN(c4ncccn4)CC3)ncnc21 1873591082 CYCYVEBYDSKDJU-UHFFFAOYSA-N 406.494 1.874 30 10 HDEE Cn1cc(N2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c(=O)n(C)c1=O 1890011786 JGJALYFLRPLKJW-UHFFFAOYSA-N 407.474 1.038 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CC(COc2cccnc2C#N)C1 1891295274 VWJHFSSHXQOQIL-UHFFFAOYSA-N 401.444 1.516 30 10 HDEE Cc1nc(I)c(I)n1C[C@H](O)CC#N 1903922021 LHLGQYPESDZSOT-ZCFIWIBFSA-N 416.988 1.675 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCC[C@H]2NC(=O)C#CBr)CC1 2006269368 RTSIAZRFTGDMIP-KGLIPLIRSA-N 400.317 1.932 30 10 HDEE C[C@H](O)CN(CCNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C 2174786061 GDENNYBSHAEIGI-HNNXBMFYSA-N 403.545 1.998 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(Cl)c(C#CCO)n1 2224184516 AHBSUUVSDGZYAE-UHFFFAOYSA-N 419.846 1.117 30 10 HDEE Cn1cc(Br)c(S(=O)(=O)NCC=CB2OC(C)(C)C(C)(C)O2)n1 2251304278 LEMYOTKSZXLRCB-UHFFFAOYSA-N 406.111 1.649 30 10 HDEE CC1(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)c(F)c2)OCCO1 2267365230 LYBKTYDBDAJHCO-UHFFFAOYSA-N 415.292 1.556 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310528 VMULMJFFZVJSQO-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2282337417 LEYUUZZZRAIJSH-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282349302 WTWKZLUXPREUHZ-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CCOC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282489680 FFFBJUFGWXSDPQ-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CC[C@H](N)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282493744 VKSRIELBHPJNDM-LBPRGKRZSA-N 403.379 1.331 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499108 AGLIVURLFQEPOD-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE CN1CCC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282500881 OXBZGWPLJRDHOK-CQSZACIVSA-N 400.375 1.561 30 10 HDEE CC[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)COC 2282842389 XPSKJJCJTOLLAM-GFCCVEGCSA-N 404.363 1.534 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2CCNCC2)OC1(C)C 2282842802 DCEKBSNGKFBBOT-UHFFFAOYSA-N 400.375 1.466 30 10 HDEE COCC[C@@H](COC)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850733 SINKSLBVADCLQH-ZDUSSCGKSA-N 405.347 1.377 30 10 HDEE COc1ncc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)s1 2282853245 ADUBAAURKACKRH-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(c3nncs3)C2)OC1(C)C 2285513778 OSEAYYJWUURHRC-UHFFFAOYSA-N 413.355 1.687 30 10 HDEE CCCn1nnc(Br)c1CNC(=O)C#C[C@H](C)NC(=O)OC(C)(C)C 2318684353 ABFISWWVROATJO-NSHDSACASA-N 414.304 1.983 30 10 HDEE C#C[C@H](C)N1CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 2362089196 SUYOBSZUHLSCPS-GREBRCKQSA-N 413.518 1.969 30 10 HDEE Cn1cc(C#C[C@H](N)[C@@H](O)c2ncc(Br)cc2Br)cn1 2366118389 LEGQGQINKIARFY-WCQYABFASA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367807228 RIHBDTTWHMWBKO-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)O)C[C@@H](P(C)(C)=O)C1 2370207903 QEBZRNZQOISHSJ-MCIONIFRSA-N 400.412 1.827 30 10 HDEE CCn1c(=C(C#N)C#N)s/c(=C/c2cc(Br)c(O)c(OC)c2)c1=O 21656293 RRVLNOQJPGMRMB-AWNIVKPZSA-N 406.261 1.433 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(Br)cc2)CC1 23266478 YBSFNZXMJPZRHL-MRXNPFEDSA-N 412.328 1.109 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)NCc2cccc(OC)c2OC)c2ccccc21 33268756 IMRRZHHMBFSIJV-UHFFFAOYSA-N 409.442 1.683 30 10 HDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1cccc2ccccc12 90733101 KFOAHESJJTWDBU-UHFFFAOYSA-N 414.483 1.681 30 10 HDEE C[C@@H](/C(N)=N/O)N1CCN(c2ncc(Br)cc2Br)CC1 128621543 DTXHAOLHXKEHRQ-QMMMGPOBSA-N 407.110 1.864 30 10 HDEE C#CCNC[C@H](C)n1cnc(I)c1I 379498176 DATKAWWENVHXEV-ZETCQYMHSA-N 415.016 1.876 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 438349821 POVWORQXZZZWMS-DLBZAZTESA-N 421.339 1.934 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 438603644 DYFYNBJJDQDWRK-UHFFFAOYSA-N 411.462 1.624 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)C1=O 440737381 LOOQHAKPYSXYIH-AWEZNQCLSA-N 415.837 1.857 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 460374073 VAOQAJHXGXPSTM-OAHLLOKOSA-N 417.535 1.982 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN([C@H](C#N)c3ccccc3)CC2)C1 471148567 NSQMPEDXSVKOOV-FGZHOGPDSA-N 413.566 1.342 30 10 HDEE Cc1cc(C)c(C#N)c(N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)n1 472509898 ZLAZHDHUVGVUSV-LJQANCHMSA-N 407.522 1.930 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c1C#N 473448365 LFFAXDFMZUQSBE-WMZOPIPTSA-N 413.455 1.572 30 10 HDEE N#CCCSc1ccccc1NC(=O)C(=O)N1CCC(N2CCNC2=O)CC1 490073241 DWPOMPCBFSZYLA-UHFFFAOYSA-N 401.492 1.647 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3S(=O)(=O)c3ccc(F)c(C#N)c3)no2)cn1 503105047 OBOZLGNXPLJBPR-HNNXBMFYSA-N 418.410 1.243 30 10 HDEE Cc1cccc(CN2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)c1 506934373 WUWIUPSXQRLFOD-UHFFFAOYSA-N 418.545 1.728 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)OC)CC1 508475465 ZZQDGLNNKREDEH-UHFFFAOYSA-N 410.522 1.712 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 508509131 MMGZTIMSNKHYGO-UHFFFAOYSA-N 400.487 1.118 30 10 HDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(CC(=O)OC)CC1 508687159 KYTCPYBHQYVSLV-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cscc2C#N)CC3)CC1 513594882 GKFKKQPMCPPDHK-CQSZACIVSA-N 412.519 1.196 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 523838265 XMDLROVPEGWNNL-UGKGYDQZSA-N 419.485 1.830 30 10 HDEE N#C[C@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CC1 524571537 GXVAZHDIEVRCRB-PZJWPPBQSA-N 402.454 1.918 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540696271 IWBYXMOCMVZRDH-UHFFFAOYSA-N 424.526 1.370 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)CCCC1 546063365 BJHKBZCKGRXPDG-ZDUSSCGKSA-N 400.298 1.979 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Br)ccc2OC)C1=O 546783606 JBMNJFLFPAKRME-GFCCVEGCSA-N 403.298 1.865 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 551424106 AEMHYGQMLJBBOP-ZWKOTPCHSA-N 417.579 1.838 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)cc1 552222231 OTBJIIDFGYEAEN-MRXNPFEDSA-N 413.503 2.156 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nc(CC)ns2)CC1 555289239 LDCOHQOGWQXRNR-AWEZNQCLSA-N 405.528 1.683 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 571485770 UINSEYJMDMTNRZ-IHRRRGAJSA-N 401.558 1.127 30 10 HDEE C=C(C)Cn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 573783959 ZPXNUDHFFNBEGF-UHFFFAOYSA-N 400.508 1.799 30 10 HDEE CCN(C)C(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 581273153 WQHSVJFDJAMAFO-UHFFFAOYSA-N 413.503 1.556 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]1n1cccn1 581510623 ASGJFQIKIMHBTF-NUJGCVRESA-N 417.491 1.142 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1S(N)(=O)=O 588904460 SMURSYZRHLFKLA-UHFFFAOYSA-N 415.880 1.346 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)C1 603557653 MKLKMZUSRPYNKA-CEXWTWQISA-N 412.534 1.974 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccc(C)n2)C1=O 726402627 XGQNCYHKVXTQDX-MRXNPFEDSA-N 411.487 1.757 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 731062133 ADENIYYUWCUZGX-GFCCVEGCSA-N 418.475 1.893 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1ccccc1Br 732457806 ALJZELSSZAIPQT-FOCLMDBBSA-N 407.268 1.817 30 10 HDEE CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 741432886 RKESHGDQLIILRC-INIZCTEOSA-N 420.535 1.972 30 10 HDEE O=S(=O)(c1ccccc1NN=Cc1ccc(-n2cncn2)cc1)N1CCOCC1 745200489 FNJXYWWWSDWZBC-UHFFFAOYSA-N 412.475 1.734 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775713 WKAYCVREUNKUBC-CQSZACIVSA-N 420.535 1.124 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCNC(=O)C(C)C)C1=O 755562570 GUADGKOLFQROMV-INIZCTEOSA-N 415.519 1.788 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1cnc2c(c1)NC(=O)CO2 771091165 FYCQPOKIXNAWDF-CYBMUJFWSA-N 424.413 1.913 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 771374460 VTZQKHHGJIADBO-UHFFFAOYSA-N 407.835 1.503 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2c(C)cccc2C)N(CCc2nnnn2C)C1=O 771529320 FGDYJCWFXPCOQL-CYBMUJFWSA-N 401.496 1.137 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 774164981 JMHJOZCLQXLKKK-ZDUSSCGKSA-N 402.419 1.629 30 10 HDEE C=CCOc1cccnc1C(=O)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 775162537 JTYBKMXJNAKUSW-UHFFFAOYSA-N 418.494 1.798 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 778271347 CZCOMQDGWWRMNS-NDDJGDGRSA-N 423.517 1.099 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)CC1 780927396 IVDRZEGJQNQRDU-QFIPXVFZSA-N 421.501 1.441 30 10 HDEE COc1ccccc1[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)c1nccn1C 785626476 PIVDGBOUQFFSQX-IBGZPJMESA-N 421.432 1.961 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](O)Cc1cnn(C)c1 786860433 IMJLPACQYMUEMR-CJNGLKHVSA-N 402.476 1.900 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccnc(O)c2Br)n1 790105065 POPKXANLVGNXLX-UHFFFAOYSA-N 407.268 1.597 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 791491565 RXAVYERYSODVPD-HNNXBMFYSA-N 422.453 1.457 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCSC2)cn1 794443176 YMBANBXBHSALTA-CABCVRRESA-N 424.596 1.408 30 10 HDEE COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802494303 AOOQTOMNHPMOOP-IBGZPJMESA-N 423.521 1.970 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 802553577 DFQOFVLHYKMYLV-INIZCTEOSA-N 424.527 1.428 30 10 HDEE C#CCN(C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1C[C@H]1CCCO1 802689849 SFEHLDXBBAIMIF-QGZVFWFLSA-N 417.535 1.656 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2cc(O)cc(C#N)c2)cc1 805229944 GRENMIGUDHYJHU-CYBMUJFWSA-N 411.414 1.824 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC2=N[C@H]3CCCC[C@@H]3N2)cc1Br 807981250 FOXATQQJARKKOU-RYUDHWBXSA-N 400.302 1.290 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)CC1 849127056 OMDDHNIGUKZBAC-QPXUXIHVSA-N 406.574 1.606 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C[C@H]1CCCO1 916197710 ZOIRKARRCOCBJL-OAHLLOKOSA-N 416.300 1.878 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1F 917799685 QZDMRMDKYMCJTF-UHFFFAOYSA-N 402.410 1.945 30 10 HDEE CN1CCn2nc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc2C1 1132844757 CGSIQOVKSZPGBN-MRXNPFEDSA-N 407.434 1.044 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1134506196 AFBRXIMSLCLXJZ-KRWDZBQOSA-N 403.460 1.924 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)cc1 1135836386 LMARECNUHJBJHO-PMACEKPBSA-N 406.490 1.022 30 10 HDEE C=CCN(C)CCN(CC)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 1139870052 XARUUCMKTUJBEB-QXMHVHEDSA-N 414.550 1.866 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1Br 1142969018 GJBYNVVMZSNFFQ-HNNXBMFYSA-N 405.296 1.875 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C1(CO)CCC1)c1cc[nH]n1 1143509183 HDCPTOWKNXRPSQ-LJQANCHMSA-N 414.462 1.714 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CCCC)NC(=O)OC(C)(C)C)CC1 1144029128 ZDHLFBCVGUWVHM-QGZVFWFLSA-N 408.543 1.354 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N1CCN(CCC#N)CC1 1152067737 CHRZYTXVWUAEJP-JOCHJYFZSA-N 409.490 1.433 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OC 1155475242 NXYNHYAYLZZSQG-ZDUSSCGKSA-N 423.516 1.926 30 10 HDEE CN(C)CCn1cc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1=O 1161108608 XGZVOJBAJQYSTD-MRXNPFEDSA-N 405.499 1.936 30 10 HDEE Cn1ccnc1[C@](O)(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C(F)(F)F 1161849905 UNJZBJAKVYJAJB-RDTXWAMCSA-N 422.411 1.930 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccccc2Oc2ccccc2)c1=O 1166523852 BVYIGMRURFEWEJ-UHFFFAOYSA-N 406.398 1.305 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCC(O)CC1 1167748570 IGYGVNIYOMZDMQ-VMBOVVBDSA-N 407.536 1.807 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 1168613411 NPWLHDZCNLKMDR-UHFFFAOYSA-N 414.487 1.688 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCn1cncc1-c1ccccc1 1169159904 XYUAFJFZLKDBEF-UHFFFAOYSA-N 423.498 1.795 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)CC2CCN(C)CC2)c1 1193403566 XQVGQRTYOJJBSB-UHFFFAOYSA-N 409.552 1.581 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 1195028516 JNLZUXWOORUWKB-CQSZACIVSA-N 405.520 1.276 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)N3CCN(c4ccsc4C#N)CC3)cc2)c1=O 1202692664 DZWLHCLOIBIWKQ-UHFFFAOYSA-N 409.475 1.858 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1230110161 STIXQPNPIOWPRM-UHFFFAOYSA-N 412.534 1.444 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1233926886 AANHNHIXTQONKL-XYJFISCASA-N 404.511 1.915 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1cccnc1N1CCOCC1 1286413825 NVBFZEARCLQZAJ-FQEVSTJZSA-N 420.517 1.872 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCC[C@H]1C 1286460857 KRRVRPNZNIJXIY-IERDGZPVSA-N 412.494 1.563 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(F)c2)CC1 1286479836 OGZBLBDKWPYFJA-KRWDZBQOSA-N 412.469 1.180 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1286506116 FJIGARFUIWZMLC-OAHLLOKOSA-N 407.540 1.009 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286509301 OPPZXYRSJNLPFM-SFHVURJKSA-N 423.546 1.742 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1286706557 PZPULQJOZUUHNG-QAPCUYQASA-N 410.544 1.611 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1OC)C1CC1 1286732277 OUWMFJWMPNUKEE-OFQRWUPVSA-N 413.544 1.095 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(=C)CC1 1286788496 XOVIWISBPWVMIP-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2noc(CC)n2)C1 1286798547 LEUAGWJJKYLTDK-OAHLLOKOSA-N 415.498 1.484 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1286983085 VKOITIHWYCRWQP-ZIAGYGMSSA-N 403.508 1.599 30 10 HDEE Cn1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc2cc(Br)cnc21 1289437583 ZLZVRPWIVNVDGJ-MEDUHNTESA-N 423.292 1.346 30 10 HDEE C[C@@H]1C[C@@H]1n1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1291040362 OYZOSSOROOLYJR-UGUYLWEFSA-N 418.498 1.896 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN[C@@H](c3ccccc3Cl)C2)cc1 1296900752 AYMXIHHQNFJPGW-GOSISDBHSA-N 418.906 1.663 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301044502 JKIRETZAENALQS-LXTVHRRPSA-N 400.932 1.651 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301220435 ANEKPYVJLIQKCH-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC=C(Br)C1 1301491701 VFNBYIBCXSHGSY-UHFFFAOYSA-N 406.288 1.470 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301496833 HYAQWYUCNXMJJB-UHFFFAOYSA-N 420.477 1.033 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCNC(=O)CC1 1301510529 YRRDCXMQCHVCNW-UHFFFAOYSA-N 412.494 1.102 30 10 HDEE CS(=O)(=O)Cc1ccc(Cn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1302448059 FSIFZWOHFKMDNA-SFHVURJKSA-N 415.519 1.552 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1303627750 DFYLSUUEKQTDRM-INIZCTEOSA-N 403.531 1.363 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1306533771 CTERPOYWHVYVDL-BFUOFWGJSA-N 402.455 1.286 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C(C)C)[C@@H](O)c3ccccc3)CC2)o1 1307752799 BMAUZSACGJIUCV-SFTDATJTSA-N 411.506 1.851 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@@H]1CCO 1308094898 SUSSPENNKKNRNG-GJZGRUSLSA-N 411.549 1.501 30 10 HDEE C#C[C@H](NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1)[C@@H]1CCCO1 1312541644 LLJXWNLOIINWSI-SZMVWBNQSA-N 419.522 1.531 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1313842679 FWNFTWNMZKBXFH-UHFFFAOYSA-N 411.491 1.316 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CCO1 1315936932 NOWYYAGZSKQWCK-SFHVURJKSA-N 417.535 1.784 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316325277 WPWAEOYAHJKJJM-HMWBCQRISA-N 409.450 1.092 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)Cc3cc(C#N)ccc3F)c2)NC(=O)NC1=O 1319645737 JWLRSIIPKGFAIX-IBGZPJMESA-N 416.434 1.372 30 10 HDEE COCCCN(C(=O)c1cc(C#N)ccc1F)c1c(O)nc(=O)n(CC(C)C)c1N 1351305803 XKKHDEUSZMDZAH-UHFFFAOYSA-N 417.441 1.881 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCCS2(=O)=O)cc1 1355743370 FRASLBIGTCZQRN-BYFYWULKSA-N 413.521 1.405 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1358890250 MSRHVSITKUFPFQ-CABCVRRESA-N 420.514 1.181 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1358904067 STORAQWNOCJWJY-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1358910894 DRMOUBQOCBLZJY-AWEZNQCLSA-N 400.483 1.628 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1358913709 WGXRKTPTXOVDTL-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(N(C)C)CCOCC2)CC1 1359033860 UCYOFHGVBSLTFA-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1359148802 CMWRYOVSTMTUTK-AWEZNQCLSA-N 422.917 1.915 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359227013 RAGORIKLSBMEPS-PMACEKPBSA-N 418.586 1.591 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359293582 URGIWAONLCEJGL-MSOLQXFVSA-N 424.505 1.763 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)COC)C1 1359321646 JSLIGUFQJHIJQY-CVEARBPZSA-N 412.556 1.634 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CC2)C1 1359323683 VBEXPFRWXFCDHM-QGZVFWFLSA-N 417.535 1.622 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1359466284 XRWABLZDGVTTNL-CVEARBPZSA-N 410.478 1.950 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1360472142 WUFLGWODIVRCKS-CJNGLKHVSA-N 406.450 1.543 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(OCC2CC2)c1 1435061088 PYCCXIYOXRPRIU-UHFFFAOYSA-N 400.460 1.225 30 10 HDEE C#CCN(CC(=O)NCCN1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C 1441103827 RUZUSAWWBYWKAO-UHFFFAOYSA-N 400.523 1.795 30 10 HDEE C=CCC[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OCC 1449694009 JUAWAVRCLQUDSS-KRWDZBQOSA-N 402.495 1.525 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1457769286 YBIWFNJSTRKPPT-UHFFFAOYSA-N 419.547 1.881 30 10 HDEE C#CCN(C1CCCCC1)S(=O)(=O)c1cnn(C)c1I 1462976234 OLDJLJSNWUMDEG-UHFFFAOYSA-N 407.277 1.981 30 10 HDEE N#C[C@]12CN(C(=O)c3c([N+](=O)[O-])cccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1463163512 OCKGORQVDORTTJ-LKFCYVNXSA-N 403.338 1.624 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2F)C[C@H](C)O1 1464234607 JBSSYRDSQQPXKQ-RYUDHWBXSA-N 401.398 1.212 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1 1464620492 VKQGRVDJPNXCAR-INIZCTEOSA-N 410.511 1.959 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1468576889 BFHJIVAZMHSXFO-MSOLQXFVSA-N 421.906 1.923 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 1470518992 ULLVZZFGNTYIOP-HXUWFJFHSA-N 400.523 1.870 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCC(NS(N)(=O)=O)CC1 1470999288 CZSMQPISVKMWRV-UHFFFAOYSA-N 407.414 1.668 30 10 HDEE C#CCN1CCN(C(=O)COc2cc(Cl)cnc2I)CC1 1473068299 CUUKWHMAFGYRMX-UHFFFAOYSA-N 419.650 1.496 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1S(=O)(=O)c1ccc(Br)c(C#N)c1 1475618860 ATUWACOCXYWILT-OUAUKWLOSA-N 400.298 1.949 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1478984904 OJMRGRNRXLTZGP-UHFFFAOYSA-N 407.496 1.172 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1479597504 PXROMKIUUJQOIA-IPJJNNNSSA-N 424.526 1.988 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1493741376 WRGJHDAPFZMOIC-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CCC1 1502400564 IEQQSLBFNXXZBP-GJZGRUSLSA-N 422.555 1.225 30 10 HDEE COC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H](C)O1 1504709116 DNXVIFNEYMPQJP-PFANNTFUSA-N 418.498 1.168 30 10 HDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1504936466 STRPEQFEPBZBEF-UHFFFAOYSA-N 423.477 1.765 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncn(-c2ccccc2)n1 1507604963 KIUXQJJFKUZYOL-UHFFFAOYSA-N 413.445 1.624 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn2ccccc12 1507704207 SRIQSOHRCDFSAF-JOCHJYFZSA-N 424.505 1.712 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCn1cc(C)cn1 1507708338 JAZNTDQFNNUSGD-UHFFFAOYSA-N 408.462 1.965 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCCNS(=O)(=O)CC)CC1 1507888864 JIGOLGLNTYOXJZ-UHFFFAOYSA-N 404.540 1.750 30 10 HDEE C=CCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508068245 VYTGXPWDKPXDHU-OAQYLSRUSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(C)(C)C)CC1 1508084100 ICUPCBZDJARDGU-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508086150 YAXMFNNYRWEFCY-SFHVURJKSA-N 410.522 1.698 30 10 HDEE C[C@@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1510091513 CGGPKMOHERQXES-KRWDZBQOSA-N 407.522 1.875 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1)OC 1518730218 CSKKLXCMPCHIIV-KRWDZBQOSA-N 403.508 1.943 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1526525599 BSSDOTSLSYLNEH-HZPDHXFCSA-N 422.503 1.871 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1533479787 UZOHZQZLYMYDGD-CALCHBBNSA-N 408.520 1.596 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)cc1 1534003154 PPQQLWAIWSSIJX-HNNXBMFYSA-N 404.492 1.903 30 10 HDEE Cc1c(Br)cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c(=O)n1C 1535158838 CNODWKILRSAUDN-UHFFFAOYSA-N 401.220 1.927 30 10 HDEE C=C1CC(C)(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)CC2)C1 1538556109 DAWNNPZHQRDZKR-UHFFFAOYSA-N 409.464 1.793 30 10 HDEE COc1cccc(C(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)c1 1538765205 GNIJZJDKYNJXDU-PGRDOPGGSA-N 424.478 1.937 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539215368 AOECMMRIPWYNHD-QGZVFWFLSA-N 419.551 1.185 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1539361948 KMAFBQAJYPCONJ-UHFFFAOYSA-N 421.505 1.659 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(CC)C(C)C)CC1 1539462157 CQIPVVGICBYTMC-PMACEKPBSA-N 418.586 1.488 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)CC1 1539827795 ABXHELMLUCLJLQ-CQSZACIVSA-N 412.560 1.350 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1540063806 CZEBSCWXVRHXJV-OAQYLSRUSA-N 407.478 1.293 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccn1 1540858473 XXYOSCTYOJPMRL-KRWDZBQOSA-N 420.539 1.261 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540861912 LEVXXTMENMWEMJ-WBVHZDCISA-N 417.558 1.172 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541364477 LESNMGXANKGBJY-RJCBAWPRSA-N 424.509 1.104 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1554303789 RLSIIKBPRZARDW-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)cc1 1554896615 FGVISVNYUDKSKJ-GOSISDBHSA-N 412.494 1.325 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1555492376 MTFAEDVYICPOIU-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1555715457 CUUTXDKCMJUOJW-INIZCTEOSA-N 412.494 1.537 30 10 HDEE CCCc1c(NC(=O)C2(CS(C)(=O)=O)COC2)cnn1-c1cccc(C#N)c1 1556256267 GESPHNMDMSJKAH-UHFFFAOYSA-N 402.476 1.696 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C(=O)OC 1556375921 WOQKOSDJYTZYPP-INIZCTEOSA-N 407.444 1.728 30 10 HDEE O=C(CCN1C(=O)COc2cc(Br)ccc21)N[C@@H]1CCCN(O)C1=O 1556782834 UHTYRTCJGXFXLI-LLVKDONJSA-N 412.240 1.061 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)C2)nc1 1559037314 RJXIAWHORZPCPE-AQNXPRMDSA-N 423.517 1.797 30 10 HDEE C#CCn1cc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)cn1 1568549209 VNYMPISTEKOJKO-HXUWFJFHSA-N 401.467 1.679 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 1585295247 BKGAPEKPKBDCCE-IGOFJYHOSA-N 424.501 1.168 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2SC(F)(F)F)C1=O 1586110037 BCEGARVVOJMGOL-UHFFFAOYSA-N 401.366 1.892 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053375 DMSBJYNQUXBPDM-IRXDYDNUSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1588098762 APSUOLSGUIGXAZ-UHFFFAOYSA-N 413.459 1.503 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccnc(-n3cccn3)c2)CC1 1588890985 KEQNRMRXTYCRNC-UHFFFAOYSA-N 404.478 1.181 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1C1CCN(c2ncccn2)CC1 1595602882 UAUCVDFAUBGOTK-UHFFFAOYSA-N 422.497 1.231 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1596781617 BRQLEESTSQUOLH-QGZVFWFLSA-N 415.542 1.903 30 10 HDEE CC(C)CCOCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1607209852 KYTIPWLXFOEWTJ-QGZVFWFLSA-N 404.515 1.582 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1607278309 JJYFBVUTRLNWFY-HOTGVXAUSA-N 413.430 1.471 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccc(OC)cc4)n3)CO[C@@H]12 1616134009 YPGPGKDEEJVWMQ-MANSERQUSA-N 411.462 1.584 30 10 HDEE COCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619566176 SXJRBKXDTYDTFT-UHFFFAOYSA-N 422.493 1.886 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@H]2CCOC2)C1 1620347040 MIXXILGMVOCARS-BEFAXECRSA-N 401.446 1.620 30 10 HDEE CC(C)(CCS(C)(=O)=O)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1620755219 CHAANYRESDGMEL-UHFFFAOYSA-N 400.541 1.966 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCC[C@@H](C(N)=O)C3)n[nH]2)c1C 1626308209 FKHLQOAXAKNMRZ-MRXNPFEDSA-N 413.526 1.393 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc1 1629310015 FANYJGAGVXCLBZ-UHFFFAOYSA-N 404.452 1.077 30 10 HDEE CC(C)(C)OC(=O)CC1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCOCC1 1629364222 IYVAEYHURGIDJA-ZCXUNETKSA-N 407.467 1.300 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H](CCC(N)=O)N1C(=O)c3ccccc3C1=O)C2 1631764216 XMYDKTLEKHSPBP-GOSISDBHSA-N 402.410 1.331 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1632950306 SHDWZYIPJNKJSO-CABCVRRESA-N 416.544 1.504 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ncon2)CC1 1635311077 CLGYBLHXDKFJLL-UHFFFAOYSA-N 403.464 1.295 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 1635701481 PTIOPTCTHGAIAT-ZGKFYVQTSA-N 408.520 1.633 30 10 HDEE C=CC[C@@]1(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H](O4)[C@@H]3C2=O)CCCN1C(=O)OC(C)(C)C 1636390670 OUOHYDMMWZYYQU-LWYBHTSDSA-N 417.462 1.302 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C)[C@H](CC(=O)OC)C2)s1 1638514748 LJHSUWWQYYHNRO-CHWSQXEVSA-N 400.522 1.413 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CO)c2ccc(O)cc2)s1 1639168987 ROHCOTUOKJRYFX-GOSISDBHSA-N 410.517 1.484 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1639319822 ZJMDLUMOMFBDCN-DOTOQJQBSA-N 411.462 1.184 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1639557474 CRBFMNZIHVTXTI-KBCNZALWSA-N 408.495 1.881 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](n3ccnn3)CC2)CC1 1647893756 GBWMAEMFNLOAIG-MSOLQXFVSA-N 413.551 1.776 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCOC2(CCS(=O)(=O)CC2)C1 1648630876 BFTNCNDRNRRGFB-INIZCTEOSA-N 412.577 1.931 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)cc1 1649676895 AXAGEIMVBTUOKR-SIKLNZKXSA-N 411.506 1.962 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc3c(c2)OCCCO3)cc1 1652094106 QEVUPHKQCXTJLB-UHFFFAOYSA-N 415.471 1.357 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1 1663862379 CIOMINGUNVOULB-GXSJLCMTSA-N 416.301 1.555 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)C(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1673351429 MUWPAOIXMRJMMV-UHFFFAOYSA-N 415.556 1.854 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1674888061 ORIJJYXCIPCTMQ-AWEZNQCLSA-N 415.462 1.409 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1676726858 ONDIWUAADAIELK-QGZVFWFLSA-N 407.536 1.876 30 10 HDEE N#CC1(CNC(=O)NCc2ccccc2OCCN2CCOCC2)CCOCC1 1677825686 GILFKLYGKVSYQC-UHFFFAOYSA-N 402.495 1.517 30 10 HDEE Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N(C)C 1680958111 PNWBIAFUGXUGAB-ZTTFOMCMSA-N 404.536 1.566 30 10 HDEE COc1ccc(C[C@@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1680964762 KGUQZFSTNHQKMQ-PTSWNOGYSA-N 421.519 1.462 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)nc1 1682525555 COOZVBGJGUFCSW-LBPRGKRZSA-N 406.386 1.093 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3nc(C4CCOCC4)n[nH]3)C2)nc1 1687278931 TZQAHNJCIRKWRE-INIZCTEOSA-N 410.482 1.751 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1689850841 IEMFGIQXXMIHCN-KBPBESRZSA-N 419.482 1.416 30 10 HDEE C#CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1689913159 ITTVTOXPEDKZPJ-YJBOKZPZSA-N 415.469 1.922 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689982273 KHHPSYXRYVQAJP-FQEVSTJZSA-N 415.563 1.735 30 10 HDEE C#CCN(c1nnc(CC)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689992976 SFIOHTXGXYYTKY-MRXNPFEDSA-N 409.556 1.116 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(F)c1)N(C)C 1689998434 LYRBTRCBVLIEEI-IBGZPJMESA-N 410.497 1.931 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1690076908 DJKXBDLUEYBQAX-YLJYHZDGSA-N 411.506 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1F 1690104326 SZWIJWRFRVWHHV-QGZVFWFLSA-N 420.510 1.762 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1690105851 ANIXRKNOKIUVAW-UHFFFAOYSA-N 424.486 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN(C)CCCOC)CC1 1690136455 FTUFEWZXLZBRGX-UHFFFAOYSA-N 418.586 1.510 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1690673831 GLHKAZSHTXSKGM-OAHLLOKOSA-N 421.505 1.354 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1690996069 UAHJYMUOPDTEKT-UZLBHIALSA-N 406.531 1.829 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCOC1 1697227698 CFJRCPHOOFEWST-NHCUHLMSSA-N 410.478 1.324 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cn2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1705570358 MJHGKUBDJSJXMB-QGZVFWFLSA-N 412.519 1.358 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1705687434 DHEFZGFZBYJLIT-LBPRGKRZSA-N 407.334 1.562 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705739370 DQNNRYPBSBFSQR-SFHVURJKSA-N 418.542 1.346 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1705747221 IEMMYULEFSSVCX-GFCCVEGCSA-N 418.951 1.088 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCOCC2)CC1 1705769543 VSUXDVCJYYJKIL-ZWKOTPCHSA-N 423.583 1.305 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1705900850 RSNDIIXTGJTGHN-NRFANRHFSA-N 423.452 1.274 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC)[C@@H](C)C1 1705904944 DCLOVDFBUWNQAJ-KRWDZBQOSA-N 412.538 1.710 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(=O)NC)C1 1722335467 NHMRFROHFJUAGZ-KRWDZBQOSA-N 405.506 1.892 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCN(CC)CC1 1722356462 GOEXWFUOCUISMM-UHFFFAOYSA-N 412.586 1.627 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1722368290 QWGOLAIKBFYWCE-CVEARBPZSA-N 402.524 1.241 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722369685 DQMGOPDFJLSJQO-MSOLQXFVSA-N 423.583 1.316 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCc2nnc(C)s2)CC1 1722438282 VBHYSLPYBPXARU-INIZCTEOSA-N 401.540 1.330 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1722439987 XSCLCXAXAAXISK-LJAQVGFWSA-N 411.575 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCCC)CC1 1722447836 QZSSMHNQBNCMOY-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCOC2(CCOCC2)C1 1722534961 UJLYIUPRYGWVPI-UHFFFAOYSA-N 400.483 1.714 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722550041 DDIJCNMTUKMJIP-CQSZACIVSA-N 410.906 1.896 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)C1 1722720768 GKALEASYUHORDG-OAHLLOKOSA-N 406.437 1.427 30 10 HDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1728170245 BGUKLLGYJRLXIW-SFHVURJKSA-N 423.521 1.648 30 10 HDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1728359156 LYWVXKYHCQUKIB-UHFFFAOYSA-N 423.521 1.925 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1C[C@H]1CCS(=O)(=O)C1 1730749987 GHOYVEJYBOVZEC-GOSISDBHSA-N 403.508 1.546 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1740555157 BZAOEDKCINJMLU-CQSZACIVSA-N 408.549 1.328 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N(C)C 1740655952 GVCOVQWFDYDHIQ-IBGZPJMESA-N 407.474 1.732 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCNC(C)=O)CC1 1740700742 GIUORPKWSFVMCJ-RTBURBONSA-N 416.570 1.478 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740750751 FMRVEUPFLMAJEL-TXTZMMAHSA-N 408.499 1.545 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1740799393 KQJOWOHBAXGIDM-HXUWFJFHSA-N 423.514 1.411 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1740899890 QDSPRXVHCLTXLI-QGZVFWFLSA-N 405.524 1.590 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1741130675 BCFISYXYSFPUBT-DLBZAZTESA-N 422.599 1.898 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1748811111 BUNGDKOJZUKGEQ-DOTOQJQBSA-N 417.535 1.715 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748811377 FQPJMFUBBYWJKA-FUHWJXTLSA-N 414.535 1.662 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2ccco2)CC1 1748993388 WUVXUVLILXIICD-UHFFFAOYSA-N 419.489 1.042 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1749131681 UKMAEVJEEBIUBX-FJIDUMEYSA-N 403.527 1.855 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1749283784 CAGUCPQSQVGZRY-RDBSUJKOSA-N 406.936 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749721956 XPLHEZHZHNSOPA-GJZGRUSLSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1749731469 DYESJFQBZKGTFS-QGZVFWFLSA-N 423.583 1.889 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1749756512 YHMCBIMUIUQNRJ-MRXNPFEDSA-N 423.583 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC=C 1760212230 VMUONRRBCYUSIB-UHFFFAOYSA-N 415.295 1.801 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCC=CO2)CC1 1760271640 FEINZDAHQJCZBX-HXUWFJFHSA-N 420.517 1.922 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC(=O)NC 1760313010 HOTWTJSXKLDOSE-NVXWUHKLSA-N 404.515 1.068 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOCC2(CC2)C1 1760556555 HYJNVOYBMLXVIU-UHFFFAOYSA-N 417.535 1.482 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760560521 XVIHGZMSXZMKDU-UHFFFAOYSA-N 414.579 1.944 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1760565843 FVTFDAWOMOJASL-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1763201150 HJAJDXSOBFXRLH-SFHVURJKSA-N 404.478 1.737 30 10 HDEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CC1 1767995369 FESLRXZBKTWSEO-ZHRRBRCNSA-N 424.505 1.855 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCS1(=O)=O 1769847098 QUOZTJVHIBOJQP-JKSUJKDBSA-N 411.528 1.463 30 10 HDEE N#CCC(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1848504797 SRKRQQQSWLIKOZ-UHFFFAOYSA-N 409.450 1.123 30 10 HDEE N#Cc1ccc(OCCN2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1849634292 WPCJHJMQURMWJZ-UHFFFAOYSA-N 406.430 1.341 30 10 HDEE Cc1c(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nnn1-c1ccccc1 1851680196 YOQJEEUNWJQEHV-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE Cn1ncc(C#N)c1NC(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1851924014 NVLPLJKMRWFUFW-UHFFFAOYSA-N 408.441 1.862 30 10 HDEE C=CCNCc1cccnc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1853435163 KACKYZYYGROUGO-UHFFFAOYSA-N 418.494 1.643 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@H]4CCCCO4)C3=O)CC2)CC1 1853730302 MCJPLZQMUGIVIC-RTBURBONSA-N 416.522 1.157 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1=O 1853829773 ZGIMSHCJDYINCT-IAGOWNOFSA-N 413.474 1.194 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)cc1 1853855199 DCSHLGKHDZSPDN-UHFFFAOYSA-N 406.446 1.117 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccnc(OC)c2)C1=O 1854059995 WXJSSZAJRJFKNB-IAGOWNOFSA-N 400.479 1.330 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)CC2CC(F)(F)C2)C1=O 1854252535 FMQRALBSPIWCPB-INIZCTEOSA-N 418.448 1.422 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)COc3cccnc3)C2=O)C1 1854327077 MWMCIXWOYBFAEL-SFHVURJKSA-N 407.430 1.008 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1854393375 IFLFKWALYUNPSS-INIZCTEOSA-N 405.520 1.025 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)Cc3ccccc3F)C2)cc1 1854400686 BJDXGLMTTOIUST-QGZVFWFLSA-N 404.419 1.929 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCCO4)C3=O)CC2)n1 1854439865 QNEIASLLOIBHCS-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE CCOc1ccc2nc(N3CCN([C@H]4CCN(C(=O)CC#N)C4=O)CC3)sc2c1 1854586860 FPXVSFQSADBEPF-INIZCTEOSA-N 413.503 1.858 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)Cn3cccn3)C2=O)CC1 1854865438 VPGKAVDCWXFBDF-GOSISDBHSA-N 408.462 1.068 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1=O 1855575790 WVZRJVFEJYJWEY-MRXNPFEDSA-N 407.467 1.656 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(CCn3cccn3)c3ccccc32)CC1=O 1855783752 JVVIVBZCVFTVRZ-QGZVFWFLSA-N 407.474 1.688 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1855898201 ZQEOWNOPIXHCON-MRXNPFEDSA-N 411.483 1.857 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(CCC#N)[C@H](C)C3=O)CC2=O)cc1OC 1856197227 MMTLBTDLMNWFIC-CABCVRRESA-N 414.462 1.030 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCc4ccc(OC)cc4C3)C2=O)CC1=O 1856544218 GRAFUIGQVKNHRI-AZUAARDMSA-N 411.502 1.605 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1C 1856602672 IRIFESZHEFQAIU-QGZVFWFLSA-N 405.476 1.830 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCCO4)C3=O)CC2)c1 1857020105 FGPFJLLTSNHLBV-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)/C=C(\C)c1cccc(S(=O)(=O)N(C)C)c1 1868919365 TYPGVNJIXFUAFN-DTQAZKPQSA-N 405.520 1.657 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871590930 ACLRFFXQOGCHDK-UHFFFAOYSA-N 411.510 1.952 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1890111294 SJLOVKCFARCYIT-KRWDZBQOSA-N 424.530 1.983 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)c1 1892111834 BSJWAXQCPPJMQF-QGZVFWFLSA-N 421.526 1.989 30 10 HDEE C[C@@H](C#CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1902015320 XUYXTJZZWRXVKR-MBSDFSHPSA-N 415.534 1.998 30 10 HDEE C=CCN(CC(=C)Br)S(=O)(=O)c1c(Br)nnn1C 1916316082 QUIHKDBMBJTBOG-UHFFFAOYSA-N 400.096 1.663 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC(O)C1 1964922304 GFWLKTWDHQJQKX-PDDLGQBUSA-N 414.506 1.641 30 10 HDEE C#CCN(C(=O)CN(CC(F)(F)F)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1968919650 DYVGNXZZPNXUHD-GFCCVEGCSA-N 412.430 1.435 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1985078792 DKRJEHMPCKWHDV-LLVKDONJSA-N 413.334 1.681 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025894935 FNYWLVOAPWIXSD-CQSZACIVSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2118168715 MJTGMMZUTKUPEG-RUZDIDTESA-N 400.482 1.359 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2172716241 WBBIGPUKSHVNIU-GFCCVEGCSA-N 400.737 1.905 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2174778792 BDXIUBMJNMTWKN-RBSFLKMASA-N 400.545 1.948 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)[C@H](F)C1 2174784440 NUASZSNBXUCSNX-KGLIPLIRSA-N 405.492 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCO2)C1 2245016030 HAYUELXDYLZMIK-UHFFFAOYSA-N 406.288 1.470 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245256300 YINJYBVSLWPSJG-XEHSLEBBSA-N 414.283 1.610 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2247774532 ZJBFLDSKWXNXAX-UHFFFAOYSA-N 416.205 1.638 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)co2)OC1(C)C 2247782930 YVJIAKYBNFFQHF-UHFFFAOYSA-N 412.295 1.556 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)C1 2247814883 VHZXZKLYMUBUMH-UHFFFAOYSA-N 423.319 1.450 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247827007 CZHGAONNFPETNX-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CO[C@](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2248488606 TVXJJMJFHLYZAI-OYRHEFFESA-N 420.315 1.811 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258154249 DMSDNESAYLUPKN-DOTOQJQBSA-N 410.492 1.984 30 10 HDEE C=CC[C@@]1(CN)CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259549559 OKNNAILFCJNZNW-FQEVSTJZSA-N 405.520 1.762 30 10 HDEE C[C@@H](O)[C@@H]1CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267351762 DLABXDCYXQYKQR-KOLCDFICSA-N 407.750 1.845 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371074 VEBOYBNASVSDMG-NWDGAFQWSA-N 405.372 1.456 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(OC(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282302665 XZBAIEZGPIQBEY-UHFFFAOYSA-N 409.285 1.968 30 10 HDEE CN([C@@H]1COCC1(F)F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282351572 CHQLIVUXNFUAKE-SNVBAGLBSA-N 409.285 1.702 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511204 KTSQMIBYBHPKBL-FTJNGKRUSA-N 421.777 1.685 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282618414 MJKVODYGZJWYES-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](N)CC1(C)C 2282836753 OPSUKJOHPPWSGK-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282841817 PYOBWPYYVDONFY-VXGBXAGGSA-N 401.363 1.002 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282841820 QALXZMGOLGOWCS-MNOVXSKESA-N 420.793 1.977 30 10 HDEE C[C@H]1CC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282843833 SUINNBXMRQLUCX-JSGCOSHPSA-N 400.375 1.607 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C 2282866569 LUQLNHSKVQJUJE-STQMWFEESA-N 400.375 1.760 30 10 HDEE C[C@H]1CNC[C@@H]1CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882202 IGHVNNFGZKCDHV-STQMWFEESA-N 400.375 1.571 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284394355 XJMVFNQRSYQGQR-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC(C)N(CC(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284399821 OTFYYLJFQAYQPF-UHFFFAOYSA-N 404.319 1.067 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401991 FRCRMRROKVVMKL-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE CN(C)c1cc(C[C@@H]2CN(c3ccnc(C#N)c3)CCN(C3CCOCC3)C2)ncn1 2296587093 QAGRUVYZKBADRW-SFHVURJKSA-N 421.549 1.969 30 10 HDEE COc1cc([N+](=O)[O-])cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)c1O 2323435754 ZOOVUOKOGGJTAL-UHFFFAOYSA-N 408.348 1.468 30 10 HDEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)cc1O 2329175847 VXDHKHKVTQAYRA-UHFFFAOYSA-N 413.459 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365175592 IPXCKNSUSUOEMV-VGWMRTNUSA-N 401.525 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)[C@@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365192935 FHKSYLCTRBBESE-HNNXBMFYSA-N 402.557 1.505 30 10 HDEE COC1CN(CCNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2365540218 LNTVKFDBMAJJCR-UHFFFAOYSA-N 400.737 1.761 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)CCC[C@@H](S(C)(=O)=O)C1 2377334726 LVPVHNYQHZUWJL-KDOFPFPSSA-N 404.529 1.858 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 6030551 OFOPXAFBCZQTFU-KOEFXMDHSA-N 408.491 1.456 30 10 HDEE in-vitro CNC(=O)[C@@H]1/C(=N/Nc2ccc(Cl)cc2)C(=O)N(C2CCCCC2)[C@H]1C(=O)NC 6179169 YXOXXOSSIXLEPJ-LYDJNZJUSA-N 419.913 1.760 30 10 HDEE O=C(O)c1cccc(N/C(=N\C[C@H]2CCCO2)N2CCN(c3ncccn3)CC2)c1 46022141 GSVWDUGYNWVVBB-GOSISDBHSA-N 410.478 1.944 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)c1 59813382 BVZJCBXPDKMTIC-REZTVBANSA-N 403.424 1.992 30 10 HDEE Cc1cccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72443886 KHHCFNXAORLFCT-HUUCEWRRSA-N 406.446 1.004 30 10 HDEE C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(COC(C)=O)=C\[C@H](OC(=O)[C@](C)(O)CO)[C@H]12 85582154 SQQDHMIYFXZFNM-YKLKOYKOSA-N 408.447 1.359 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)c3cc4c(cc32)OCCO4)CC1 105324038 IDFAPWIVWFBXLN-UHFFFAOYSA-N 405.414 1.033 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)c1C#N 170493457 YGIVMRAGTPBTOP-NSHDSACASA-N 411.370 1.967 30 10 HDEE N#Cc1nc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)ccc1[N+](=O)[O-] 302729074 PJLHEPQMYINTKV-UHFFFAOYSA-N 409.374 1.651 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CCc2ncncc2B2OC(C)(C)C(C)(C)O2)C1 309862121 JGJUUGWLMNXHMM-UHFFFAOYSA-N 404.320 1.527 30 10 HDEE CCOCCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 431763473 WDNNBMCCJZUPIE-UHFFFAOYSA-N 405.520 1.988 30 10 HDEE N#Cc1cscc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 432050582 ZWEVVROQGUSRIH-UHFFFAOYSA-N 418.500 1.758 30 10 HDEE C=CCOC[C@@H](NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)OC 435945706 VZDGQVKPJMGQCM-CQSZACIVSA-N 404.444 1.209 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cc(-c3cccc(OC)c3)nn2C)C1=O 440250735 BQOQDABXKXRFCY-KRWDZBQOSA-N 411.462 1.280 30 10 HDEE C[C@@H]1OCC[C@@H]1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 442806467 BWRQVYQXRNUSCG-SJCJKPOMSA-N 407.471 1.495 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCSC[C@H]2CCO)ccc1OC(F)(F)F 443318486 ZIXMJHIVVIZIID-GFCCVEGCSA-N 403.382 1.722 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 460541830 BDKVQAKWZGFROF-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 460800866 UPLYOVJZLQQVKO-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE N#Cc1c[nH]ccc1=NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 463946751 QHVUDEYSLOQQNT-FIERZQDASA-N 424.460 1.793 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1=O 468903577 KLOUSBILSWQOCC-UHFFFAOYSA-N 405.398 1.446 30 10 HDEE CCN1CCN(Cc2ccccc2CNS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489112764 DWAFYVAHUVLZCU-UHFFFAOYSA-N 413.547 1.878 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)CCCC1 498913856 XLWGXAKZQZBLJK-UHFFFAOYSA-N 417.578 1.905 30 10 HDEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CC1 505918331 ZTGSOKZMKHCZGE-QGZVFWFLSA-N 419.503 1.667 30 10 HDEE COCCN(CC(=O)NC1(C#N)CCCCC1)CC(=O)NC1(C#N)CCCCC1 507326714 OOCYWARWQTUASX-UHFFFAOYSA-N 403.527 1.620 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 508957125 WUSKCNFECRXFIG-UHFFFAOYSA-N 406.494 1.965 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)cc1 509384165 GHJBPHVEDWGVCA-UHFFFAOYSA-N 414.487 1.959 30 10 HDEE CCN(CC)S(=O)(=O)c1c(C)nn(CCS(=O)(=O)c2cccc(C#N)c2)c1C 513820793 WJNIFZXQYXGHGX-UHFFFAOYSA-N 424.548 1.876 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C 520969796 WFEAPVWIVBSQCN-HXUWFJFHSA-N 418.501 1.966 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(F)c(C#N)c1 522751238 LJYOUZBAQZMGEJ-HNNXBMFYSA-N 403.483 1.581 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)COc3ccc(F)c(F)c3)cc2C1=O 524556101 BHVHVZSFELNAEE-CYBMUJFWSA-N 416.380 1.917 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2c(C#N)nnc3ccccc23)CC1 524843044 YITPCPWZSCJKOE-UHFFFAOYSA-N 408.487 1.736 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)cn1C 543911556 RAANPJRMLOALAT-UHFFFAOYSA-N 418.866 1.896 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 545895940 OHZVZHGRIMKKPW-OLMNPRSZSA-N 408.510 1.882 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4cnccc4c3)CC2)cc1 545964957 CRLIOYPJJYWLQA-UHFFFAOYSA-N 407.455 1.648 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 545991644 QJSFQMDJVZSCNX-ICSRJNTNSA-N 418.490 1.995 30 10 HDEE COc1cc(CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)ccc1C#N 572805523 VPHCXTZWAGWCTN-ZDUSSCGKSA-N 408.402 1.188 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227054 KJDPDJGNHJYEJU-UHFFFAOYSA-N 408.462 1.006 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 604071726 VZDCBGBNBHRHPX-AWEZNQCLSA-N 402.451 1.603 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)CC1 604164648 LHAPTSKSWNGTQU-IBGZPJMESA-N 414.485 1.278 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669816271 MUHYHSBYSMMTNQ-AWEZNQCLSA-N 421.523 1.666 30 10 HDEE CNS(=O)(=O)c1c(I)cccc1B1OC(C)(C)C(C)(C)O1 694985464 PWACYTUTTANENK-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE Cc1cccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)c1 727415084 HXFOSMNARDZNLY-UHFFFAOYSA-N 405.479 1.926 30 10 HDEE COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N(C)C)cc1OC 732701151 PUZIBUZMNDSXSE-ROUUACIJSA-N 401.511 1.688 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OCC)cc3)c2=O)cn1 735068570 FBBRLCHOCXGVCT-UHFFFAOYSA-N 405.483 1.931 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1cnn(CC)c1 741449119 KHMQPSLWODZIAI-INIZCTEOSA-N 404.540 1.316 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C)cc1Br 742279780 YWDLUVBMQZAXTA-JTQLQIEISA-N 412.352 1.630 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2nc([C@H](C)OC)no2)ccc1F 747892777 KPNRASSFHVXZMO-NSHDSACASA-N 412.443 1.653 30 10 HDEE N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 759717346 HONOVZNLOCEKJP-RRFJBIMHSA-N 405.476 1.312 30 10 HDEE CCn1c(-c2cnccn2)nn(CN2CCN(c3cccc(C#N)n3)CC2)c1=S 760552034 RMJYJAPFNHRCDP-UHFFFAOYSA-N 407.507 1.937 30 10 HDEE COc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1CO 763041016 MSKSYHDIXPVFBU-UHFFFAOYSA-N 403.460 1.645 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1 763553557 IXQYUZIDBLGEBQ-OAHLLOKOSA-N 403.442 1.704 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 767698564 SVFWHXFCZVBLHI-HNNXBMFYSA-N 410.492 1.792 30 10 HDEE C#CCN(C(=O)Nc1c(C)cccc1C(=O)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774033678 QONOOFDVYQUXTH-INIZCTEOSA-N 403.504 1.885 30 10 HDEE C#CCOCCNC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 784546678 WXWZIKSOFPZPBY-UHFFFAOYSA-N 412.412 1.621 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@@H](C)C(=O)N(C)CCC#N)CCCC1 786297360 PUHJSVHSEJQNKF-HNNXBMFYSA-N 403.483 1.383 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3ccccc3F)CC2)n1 789322811 RUWAAOBTFBNVCB-UHFFFAOYSA-N 413.497 1.453 30 10 HDEE C#CCOc1ccccc1CNC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 792741136 VJUKTZMOLZYAHO-IBGZPJMESA-N 421.545 1.635 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)n1cnc(C#N)n1 800608900 QCZRIIMPDVWISW-HOCLYGCPSA-N 411.466 1.926 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 805766785 CMFHCJKMXKVYLP-CABCVRRESA-N 405.442 1.743 30 10 HDEE COc1ccc2c(c1)nc(CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)n2C 806665260 LMDDJYDSBWLJHH-UHFFFAOYSA-N 407.430 1.395 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(C#N)CCC1 809845404 KGCCTFYQGRNQIE-AWEZNQCLSA-N 415.512 1.494 30 10 HDEE COc1ccc(Cn2ncc3cc(C(=O)N[C@@H]4CCN(O)C4=O)cnc32)c(OC)c1 820179501 LSTUOGZAGBLXRG-MRXNPFEDSA-N 411.418 1.217 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2Cc3cccc(C#N)c3C2)cc1 1130387235 FMEXGKXGJWFJCS-UHFFFAOYSA-N 412.471 1.680 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1N1CCN(C)CC1)C(=O)OC(C)(C)C 1136716149 OBPASPSCPKZFFU-UHFFFAOYSA-N 400.523 1.925 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1136809907 IHPPJXMZVFEJEQ-SFHVURJKSA-N 411.433 1.057 30 10 HDEE C#CCN1CCCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1147283396 ICLUHLIFLMHZFS-UHFFFAOYSA-N 416.526 1.631 30 10 HDEE N#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1cccc(Br)c1 1151049959 FKXDMOHJLNNYEC-AAEUAGOBSA-N 401.286 1.045 30 10 HDEE COC(=O)[C@@H](CC(C)(C)C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1163077317 FIWVMMXGSRBNKO-JKSUJKDBSA-N 414.462 1.857 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)c1 1165623165 GOABNMRMQRVMOH-UHFFFAOYSA-N 411.423 1.191 30 10 HDEE C#CC(C)(C)N(C)CC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1169242928 DGNVOGLKZXICIX-HZPDHXFCSA-N 407.536 1.767 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1178460094 BHEJSQUCDREFKR-KRWDZBQOSA-N 424.486 1.206 30 10 HDEE CCN(CC)C(=O)c1cccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)c1 1189921813 DLFDBDMIDRHHPN-UHFFFAOYSA-N 423.473 1.646 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1220861127 NKFWVMIYEDUHFO-SJORKVTESA-N 410.515 1.537 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@@H](c3ccccc3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1226682815 DTBASASMODGIFN-DZKIICNBSA-N 401.410 1.912 30 10 HDEE COc1cc(I)c(Cl)cc1CNC(=O)NCC#CCO 1235584651 QWMUGWWBZFRVGS-UHFFFAOYSA-N 408.623 1.748 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)N[C@H]1CCCN(CCN3CCOCC3)C1)C2 1245968960 AYVFTWGUXWHDJF-NRFANRHFSA-N 411.550 1.617 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1267720237 DRYAVZWNNNYSPV-ZDUSSCGKSA-N 405.417 1.868 30 10 HDEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1274176097 IBXDLZDRDYOUNN-UXHICEINSA-N 416.441 1.984 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286334842 BPFXBPJVNQPGJU-SJORKVTESA-N 414.510 1.700 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1286350328 ZSWADAZXCDCTHB-SFHVURJKSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286397217 YFHUGQVDJGWTPU-SFHVURJKSA-N 419.595 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286429186 HIVCWOTZAKTCIS-QRVBRYPASA-N 412.538 1.191 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1286439891 HKGLJNFDKAPGDT-UHFFFAOYSA-N 423.395 1.854 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2cccs2)CC1 1286485723 VTXVBIUNHYAWFG-UZLBHIALSA-N 401.536 1.854 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1286514305 DBNKOJBFCQSHCA-JOCHJYFZSA-N 412.538 1.813 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286765225 AMPIBNRPMZNDND-MRXNPFEDSA-N 407.540 1.950 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286785113 FHCXDIUGPVFPPL-AVYPCKFXSA-N 400.483 1.348 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286824770 ILJOHQSWBNDKHQ-HZPDHXFCSA-N 409.556 1.673 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1286966146 XQLOOQQIZOZGMQ-HMWBCQRISA-N 406.450 1.462 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1286970879 QWYWBHZUTFFSKQ-LJQANCHMSA-N 423.565 1.764 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(=O)OC)nn2)CC1 1296188649 NQKFCEBDFYCCMB-OAHLLOKOSA-N 419.482 1.535 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300416771 JFAVGWAILJOROV-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1300465887 RRUJZYROXJXENU-HXUWFJFHSA-N 411.506 1.707 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@@H](C)C1 1300664303 QKFXXJHVFBLTAC-QZTJIDSGSA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1ncn(C)n1 1300674681 CEGCHQCYBVOZQZ-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCCC2)CC1 1300706432 LZLTTXODDSSBFL-UHFFFAOYSA-N 424.597 1.769 30 10 HDEE C#CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300776273 GRVUCXKYGGDNIB-UZLBHIALSA-N 422.551 1.684 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300950881 QOJIHKNFMHRCSJ-CABCVRRESA-N 400.487 1.280 30 10 HDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1301245543 DVCRZGRDKLXGAP-INIZCTEOSA-N 412.494 1.760 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cc(F)ccc1OC(F)F)c1cc[nH]n1 1301450939 UGBBZLPIIPHKIY-UHFFFAOYSA-N 414.340 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301490932 ISIOFRQTNUHXEG-OAHLLOKOSA-N 400.483 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301496482 BIGDHNDGVYBXSY-OAHLLOKOSA-N 423.481 1.188 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 1302877454 LEOMENMJKDWGDF-ZBFHGGJFSA-N 408.252 1.206 30 10 HDEE Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1304356801 DUWURZVVGVUJJT-NRFANRHFSA-N 407.453 1.761 30 10 HDEE Cc1noc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)n1 1304895804 CXDGNIPMRSGROM-TZMCWYRMSA-N 407.500 1.100 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC(C)C 1306194648 OPHOWSGKYXSFJA-UHFFFAOYSA-N 400.531 1.896 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)c(OC)s2)CC1 1308914073 KFPQZQOZMAZSAM-UHFFFAOYSA-N 408.343 1.104 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 1312470430 VHJMOXJHYHXBEQ-KGLIPLIRSA-N 415.450 1.690 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1312864433 CSKJUJYSMXJPCS-UHFFFAOYSA-N 414.550 1.997 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 1313270829 LFCPJKLVOWEMBD-DZGCQCFKSA-N 416.425 1.773 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCNC(=O)C(C)(C)C 1316102215 UIMRALUADATBAP-INIZCTEOSA-N 406.531 1.701 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C[C@@H](O)CC(F)(F)F)CC1 1324407040 DQJKUQKDOFRXFR-RFSXOUPVSA-N 400.441 1.649 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CCCCC#N)CC2)cc1 1351464132 PJFNXEWBNKMJBE-UHFFFAOYSA-N 407.492 1.780 30 10 HDEE C=CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1352903591 BEUYEQWIDIDQJX-ZDUSSCGKSA-N 413.293 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCC(=O)N1CCOCC1 1358895067 BYXMVZIBMRYKRF-SFHVURJKSA-N 411.506 1.606 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1358912276 NGGNAFQGYGFXKW-QGZVFWFLSA-N 424.567 1.819 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CCOC)C(=O)C1 1358934141 RJBYMWCGYWEJRB-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC(F)F)c1 1358968447 MBAXUNPUNMOZRE-UHFFFAOYSA-N 414.416 1.632 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ncc(CC)s1 1359026949 PSYZJFKJKFYASO-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)OC)CC1 1359048622 WXXFHAHJELWUGD-UHFFFAOYSA-N 421.567 1.952 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1359300883 LYAQBZCEXLGAQY-VGOFRKELSA-N 411.506 1.491 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)C1 1359320976 YJYZCCZNDAGKNJ-QWHCGFSZSA-N 403.512 1.473 30 10 HDEE CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](CO)c1ccccc1 1450103864 FGJCIBDFXHHCDY-QGZVFWFLSA-N 401.488 1.697 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1450267269 BIYMIOJXTWSUIT-GXTWGEPZSA-N 400.298 1.155 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3CC(Nc4cccc(C#N)c4)C3)=NO2)C1 1454244829 JSKRIVKKWRZOGK-UHFFFAOYSA-N 411.462 1.947 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1456476280 MQPQFPGHQKAKLN-INIZCTEOSA-N 402.451 1.099 30 10 HDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)O1 1458614732 NIINAFNRJQSGPM-RRFJBIMHSA-N 406.435 1.894 30 10 HDEE CC(=O)NCCc1ccc(C(=O)Cn2cc(C#N)c(I)n2)cc1 1459140504 GEGIXONOPGVFFV-UHFFFAOYSA-N 422.226 1.921 30 10 HDEE C=CCCn1cc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nn1 1459579884 CHCHJBZZILXTJR-IBGZPJMESA-N 420.491 1.466 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(F)c(Br)cc2F)C1=O 1462184284 GCWCKRFTBSUFBK-UHFFFAOYSA-N 416.178 1.320 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C)c(-n3cnnn3)c2)s1 1464092679 RZKTTZKEEQHOTR-UHFFFAOYSA-N 418.504 1.678 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3cc(C)no3)CCOCC2)c1 1464187127 JRLVBRKIELXKKC-UHFFFAOYSA-N 405.476 1.883 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1Br 1464799454 YPYXYHBGTAFOAJ-UHFFFAOYSA-N 405.296 1.701 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)c2ccccc2F)c1 1465563343 PLDHEWLVKOIPPP-UHFFFAOYSA-N 421.425 1.812 30 10 HDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)C 1465958911 BXXDAXPKQBSWTC-UHFFFAOYSA-N 408.524 1.649 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1OC 1467959141 IFOTYBTTWMFAJA-UHFFFAOYSA-N 409.446 1.780 30 10 HDEE C#CCN(C(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)C1CCN(C)CC1 1471264592 MQPWRKPEHORDIF-NRFANRHFSA-N 408.543 1.751 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 1475202218 ZIAKXMVUBONTCI-UHFFFAOYSA-N 405.455 1.453 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)n1 1478651195 KNWDTNVAYAPABF-LPHOPBHVSA-N 400.483 1.328 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1504755868 UMQVBRBEAGWWCJ-OALUTQOASA-N 420.445 1.235 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCOCC1 1504955275 QCOGCWRDXYFYSS-HNNXBMFYSA-N 420.514 1.024 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@H]2CO)C1 1505314650 IAPBSSYFJZTTNY-OXJNMPFZSA-N 401.490 1.952 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)CCO1 1505323958 ZKRLVINILABWAW-ZDUSSCGKSA-N 400.393 1.168 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507585662 MGJYNQPYTBKADF-OAHLLOKOSA-N 407.482 1.229 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1507617338 TWZLDGGJBUKGRT-AWEZNQCLSA-N 409.537 1.099 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507630256 VTHOUWYNCTVGIY-OXQOHEQNSA-N 415.519 1.128 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCCN1CCN(CC)CC1 1507664515 AMFWLBYWKJPVDS-UHFFFAOYSA-N 420.565 1.616 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1507686915 HWGJXXGHDPHDBB-OAQYLSRUSA-N 424.530 1.520 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1507708405 HSEWMFRLJPTHHQ-UHFFFAOYSA-N 420.510 1.995 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2nncn2CC)CC1 1507727680 LAIGWIHWQXNQPD-UHFFFAOYSA-N 404.522 1.478 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1507965670 UXAPPGCXGDXEJV-UHFFFAOYSA-N 408.499 1.836 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1509951173 VVMBZHGPWSSYDP-QVKFZJNVSA-N 407.478 1.945 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1510302546 QSGAMQUUGXZYMF-DLBZAZTESA-N 421.505 1.433 30 10 HDEE Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511859242 DFTDVJYMCVSFEC-HNENSFHCSA-N 423.433 1.584 30 10 HDEE C[C@@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1512253992 ODLKEMRTXQEIHU-FZFLATATSA-N 407.478 1.779 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1524605132 IOIUHQSUKFZMEY-OROIVELOSA-N 401.507 1.083 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CC3(CCOCC3)CO2)ccc1F 1532343657 NHDVNXWNVLVPMM-OAHLLOKOSA-N 412.483 1.606 30 10 HDEE Cn1ncc(I)c1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1535242235 CMRVOYGUKUCRGZ-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1539219943 OQOQQGPIKLPLIQ-SFHVURJKSA-N 418.567 1.768 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1539220541 KMGYMQFSFIJTBE-HZPDHXFCSA-N 419.551 1.458 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1539340319 KOBWSOCUKNJDLY-QGZVFWFLSA-N 409.494 1.643 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCN(C)C1 1539395229 AOZUAUDWMARPQG-OFNKIYASSA-N 411.550 1.973 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1539420464 DYVNCCDSXYSRHP-UHFFFAOYSA-N 417.535 1.265 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2cn[nH]c2)CC1 1539462546 IGUIZVOONHZPIL-RTBURBONSA-N 411.554 1.918 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCC=C)CC1 1539474310 OCOOFRIFYQRIJR-UHFFFAOYSA-N 406.490 1.213 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCOC[C@H]2CCOC2)CC1 1539477600 RYUJLOJGWBTCEM-QGZVFWFLSA-N 415.538 1.565 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOC1=O 1540053442 GEKAIOUYXXUTCL-UHFFFAOYSA-N 419.507 1.813 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1540063805 CZEBSCWXVRHXJV-NRFANRHFSA-N 407.478 1.293 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1540070853 AQAYTQCCEDDSGC-SFHVURJKSA-N 413.526 1.880 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1540875206 DPHDFPXCJHYSLZ-KRWDZBQOSA-N 419.448 1.647 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1541802191 LUCNQUBPYQEQOT-JTQLQIEISA-N 409.397 1.125 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(OC)c2)CC1 1542895083 ZGBZGTJHGGXDAN-UHFFFAOYSA-N 408.296 1.355 30 10 HDEE C=CCC1(C(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCOCC1 1542973469 OFPPPXBJUGEUAB-CQSZACIVSA-N 409.508 1.411 30 10 HDEE Cn1cc(C(=O)Nc2cc(CC#N)ccn2)c(CN2C(=O)c3ccccc3C2=O)n1 1543938827 CUBPPVZFYYTGLT-UHFFFAOYSA-N 400.398 1.930 30 10 HDEE C#CCN(CC(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)C(=O)OC(C)(C)C 1545201858 JADOORJBOYAJIO-UHFFFAOYSA-N 422.570 1.600 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1545797616 SINCDHPKQGTTFI-CABCVRRESA-N 403.545 1.634 30 10 HDEE CN(CCc1nccs1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554264351 LRNYFGBMUJWPOR-VLGSPTGOSA-N 413.507 1.817 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCCC2)CCO1 1555992615 XDHAVQGVTGVYRW-GOSISDBHSA-N 416.526 1.982 30 10 HDEE CCOC(=O)/C=C/c1ccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)cc1 1558052321 ADGOIPLMDOCUFV-UDBNDZAPSA-N 414.418 1.909 30 10 HDEE C#CC[C@]1(C(=O)N2CCC[C@H](Cc3nn[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1558345961 KHJWKVHRHPMCLR-FOIQADDNSA-N 402.499 1.774 30 10 HDEE C=C(CCN(C)C)C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1558366228 JAMIABPVYQHQTK-VWKPWSFCSA-N 409.527 1.799 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1559983034 DXFKWKAPENIZPP-KRWDZBQOSA-N 407.536 1.934 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(=O)N1CCOCC1 1564973049 QBKQESZDFNJZFE-SFHVURJKSA-N 414.510 1.058 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)cc1 1584314673 BOVMXNYNUSOBAB-IAGOWNOFSA-N 408.549 1.188 30 10 HDEE C#CC1(O)CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1585304955 FMNZNRSVWQAXKG-UHFFFAOYSA-N 414.321 1.990 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1587551085 ZAPPMRPMYWNYKH-QGZVFWFLSA-N 423.521 1.252 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC(C)C)C1 1587862043 SOJNDEXXJHTXPZ-ROUUACIJSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1588049951 OFBPVKYVIOOLMG-CQSZACIVSA-N 419.507 1.289 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2CSc2ccccc2)CC1 1588199383 NJMJFSOWSMMFSO-UHFFFAOYSA-N 419.528 1.797 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1nccs1 1588672943 IXFOPPKKIZOKEL-UHFFFAOYSA-N 416.532 1.860 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)C(C)C)CC1 1588733280 QFCBKLVMPKRORM-NRFANRHFSA-N 404.559 1.359 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1 1588985972 XULVQIOFOGKIIU-LBPRGKRZSA-N 414.582 1.348 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1593735525 JKDPJEPWHHYUAX-ZWKOTPCHSA-N 400.483 1.712 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 1594194579 XFLIAQRQWPBQOP-HNNXBMFYSA-N 421.571 1.955 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1594449135 RZIWLWGEXCSIMM-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CCOC 1594942799 FNAOAQVNGYXAOK-LJQANCHMSA-N 422.555 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1595523484 WBIMXJHVMZIUBX-MRXNPFEDSA-N 400.483 1.273 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@H](C)C1 1595577219 LSLNMVLLPFTGIZ-OKILXGFUSA-N 418.523 1.185 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1595701015 WADINBKDCCPXQI-DENIHFKCSA-N 408.506 1.665 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CN(C(=O)OC(C)(C)C)C1 1607289091 TVBZDKSNQYBXOC-ZIAGYGMSSA-N 410.467 1.220 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(Cn4cc(Cl)cn4)s3)C[C@H]1CS(=O)(=O)C2 1611165744 UCRDGEPVGJFMAF-ZBEGNZNMSA-N 410.908 1.657 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3coc(C#N)c3)cc2)CC1 1611257058 NOBVIQFHNSDOGI-UHFFFAOYSA-N 410.474 1.667 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)C1 1611770623 BCQUCIGLNQSICY-APWZRJJASA-N 400.487 1.434 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC1 1611772394 TYTABJJDPSMFGJ-HZPDHXFCSA-N 407.540 1.737 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612929345 YYPWCPUWYWRVMZ-DOXHGZAWSA-N 413.507 1.741 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619776015 YQHJQWZAOSWYAU-CDXJDZJCSA-N 418.542 1.136 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCC[C@@H]1C 1619913490 FKPQXULPPVPXAS-JXFKEZNVSA-N 404.515 1.318 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCN(C)C1 1619914050 VSGMJLOMKJEGHF-IBGZPJMESA-N 419.555 1.067 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1626245761 ANTWGRUYMWDWCN-RDJZCZTQSA-N 424.542 1.287 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1628991115 BMJMQHFYOPRXBO-INIZCTEOSA-N 422.356 1.448 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)c1 1629948877 VYOGWWNWEYIHCA-VGSWGCGISA-N 418.457 1.673 30 10 HDEE C[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@]1=O 1632873123 AOOGCOMWVUUVBQ-JAMXKSRMSA-N 402.476 1.133 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1634187733 FJWICXWOGAKMGF-PHAGKYIGSA-N 410.474 1.941 30 10 HDEE Cc1ccc(I)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1634330623 ZFTZPBNUCLTWHD-UHFFFAOYSA-N 410.171 1.372 30 10 HDEE COc1ccc(OC)c([C@H](O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1635813711 HAZXGSLCTBIFBO-QGZVFWFLSA-N 422.434 1.604 30 10 HDEE C=CCCn1cc(C(=O)N2NC(=O)CC23CCN(C(=O)OC(C)(C)C)CC3)nn1 1637851927 HVARCXGSHKSOCN-UHFFFAOYSA-N 404.471 1.501 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NC3CCN(CC#N)CC3)=NO2)C1 1638310129 FRXDLRSJLVUQIG-FQEVSTJZSA-N 405.499 1.637 30 10 HDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1639873814 GVHMTDLRZLCWPA-OALUTQOASA-N 424.538 1.509 30 10 HDEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1639962053 KTWXACGEPWEZSG-PMACEKPBSA-N 408.437 1.968 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C)CCC2(CC1)OCCO2 1640456422 WFYFXZACCHWDQB-AWEZNQCLSA-N 407.492 1.417 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1640585523 UISMGGULHPNMNX-ZDUSSCGKSA-N 412.416 1.803 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1=O 1640769057 OUHZHADDPBONCI-YESZJQIVSA-N 405.495 1.548 30 10 HDEE Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1641522257 YLYYPOQFLBQQRN-ZDUSSCGKSA-N 409.489 1.967 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1644467128 XDEFHZCOPNSXQP-GXTWGEPZSA-N 402.310 1.749 30 10 HDEE N#CCOc1ccc(CC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1646533341 BPAAOOOWOLHRON-HNNXBMFYSA-N 415.247 1.969 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)CC1 1648035605 NFKPUEDRFKEXOG-JMDAGXMHSA-N 424.611 1.501 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@H]2OCCNC(=O)[C@@H]21 1648123629 ISWPPVLIEWOMGP-SIXWZSSISA-N 402.520 1.856 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(Cl)c2c(c1)OCCO2)c1cc[nH]n1 1648289632 YATBBAXZELALOF-UHFFFAOYSA-N 408.798 1.757 30 10 HDEE COc1cc(CNC(=O)CN2CCC3(CC2)CC(=O)C=CO3)cc(OC)c1OC 1654943647 GSSLGMXTQUIWBO-UHFFFAOYSA-N 404.463 1.666 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1655430986 JUBZKIPPFGSJKK-UHFFFAOYSA-N 413.927 1.379 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OC 1656406475 VAKPOXGIMIBZLH-LLVKDONJSA-N 401.437 1.277 30 10 HDEE C=CCCn1cc(CN2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)nn1 1658442511 PUVAGCYCFUFIGO-UHFFFAOYSA-N 415.494 1.838 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC(C(=O)NCCO)CC2)cc1 1658661407 OWWQOOISLQWSFM-UHFFFAOYSA-N 414.506 1.853 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(c3nnc(N)o3)CC2)ccc1Br 1663557248 GDIXLNDUKUDIHS-UHFFFAOYSA-N 412.269 1.854 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@@H]1CCCO1 1668796664 MJAWNOXBVNSDEK-KBPBESRZSA-N 401.872 1.824 30 10 HDEE C=C(C)COCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1670368305 WQVBHVSBOSICLU-CABCVRRESA-N 417.528 1.007 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCCOC1 1671495221 NSKBSCOIRXBWPJ-SXGZJXTBSA-N 424.498 1.405 30 10 HDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1672775309 MUSDLNUYLHXQOR-AWEZNQCLSA-N 401.510 1.144 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1682794052 BNSMREOGPZQLPS-FZKCQIBNSA-N 400.445 1.382 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCCn1cc(Br)ccc1=O)C2 1682959491 CAXSYENBBBMYQP-INIZCTEOSA-N 401.264 1.949 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)nn1 1683482783 ALSMBWXQFPSTGH-CZDRUDQFSA-N 405.499 1.933 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1)C1CCOCC1 1684188634 UEVMUHLJKNWSGD-IBGZPJMESA-N 415.490 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1689868373 FHHBFLNHPFVYTD-ZOBUZTSGSA-N 417.535 1.952 30 10 HDEE C#CCCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689887292 WBPMVKFLOWVCSN-UHFFFAOYSA-N 418.523 1.599 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1689924311 BZHYXEYOGSVOIN-UHFFFAOYSA-N 419.555 1.342 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1689991118 WDKHXEKDQOSTPR-MOPGFXCFSA-N 414.531 1.847 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1689996548 JPTWFPIBKSVLIJ-OAHLLOKOSA-N 424.473 1.768 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](COC)OC 1690046737 GHLHHRBQCGCQDB-YLJYHZDGSA-N 410.474 1.915 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2(N(C)C)CCOCC2)CC1 1690122427 QPKPPMXTOIRDGZ-UHFFFAOYSA-N 400.571 1.802 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 1690460500 JHSRNFWDTRFWAJ-UHFFFAOYSA-N 407.496 1.597 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCCN1CCC(O)CC1)C1CC1 1690550174 RDGWXFKVSIIWJG-UHFFFAOYSA-N 402.543 1.402 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1690604292 RRNAEVLGLYNCMB-PGRDOPGGSA-N 411.506 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690715819 VUNWTZHSOFVFSN-HNNXBMFYSA-N 410.544 1.043 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(F)CCC1 1692782271 JLTRGZNOZMSMNB-WBMJQRKESA-N 402.471 1.613 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1692852742 GRPKIAURISTZFS-QGZVFWFLSA-N 421.505 1.433 30 10 HDEE Cc1nnc(N2CCOC3(CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693513251 MGYWRLQWIKPJJQ-ISLYRVAYSA-N 400.483 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)F 1705571669 FGRLXCQHHGVSQB-UHFFFAOYSA-N 416.432 1.576 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCC[C@H]1C 1705585616 WBPWCPRNAYRVSO-QGZVFWFLSA-N 410.547 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCN2CCCCC2=O)CC1 1705648042 POQVZFICIDCOAM-UHFFFAOYSA-N 412.538 1.524 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705652365 WYCDOHLLEFMECT-JKSUJKDBSA-N 407.540 1.167 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)CC1 1705781923 KKMIKTWGYZYIIU-QGZVFWFLSA-N 421.523 1.655 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC(OCC)C2)C1 1705927098 QPLNTQIGLVHSTI-PGFLUOATSA-N 413.522 1.975 30 10 HDEE Cc1nnc(N(C)C[C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1707864246 XKSHXKVRVJRLOF-CVTQAYBASA-N 424.461 1.389 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1708382512 PLHNGKDSIUHCFA-USHDUVECSA-N 403.487 1.018 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1712168511 DXSZJTHJFHUHPM-CVEARBPZSA-N 400.414 1.442 30 10 HDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1712172315 YBTSIUAXUPNLEJ-KBPBESRZSA-N 413.457 1.915 30 10 HDEE C#CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722340975 OIHYEQCEJKJGEN-FGSXEWAUSA-N 415.538 1.695 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722342065 QYMDHOUITSWWMK-HXUWFJFHSA-N 424.549 1.868 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1nc(C)cc1C 1722348218 ZCNFWGLYXHAFFI-UHFFFAOYSA-N 416.493 1.894 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1722361815 PWMDHRGAAFSXFW-INIZCTEOSA-N 420.564 1.225 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722368689 UXILWNZIHSSTHN-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1F 1722372661 BWHUCKCEDDCBHB-CYBMUJFWSA-N 407.446 1.288 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1722411556 JKOVKFPFWUXLOU-MRXNPFEDSA-N 403.508 1.220 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@H](C)C1 1722449924 VLNBZSPLGGZGKQ-CVEARBPZSA-N 415.494 1.907 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2O[C@H](C)C1 1722692490 NUEKGXLSFMDKTI-MRXNPFEDSA-N 424.505 1.604 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 1722696533 BEXBNTBSZCBLQA-MRXNPFEDSA-N 421.505 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722725896 SYQCIXVIJDYWHS-IBGZPJMESA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@H](C)[C@@H]1C 1722728432 WDTQJXBKTHQDIO-MJBXVCDLSA-N 413.569 1.160 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1729317984 GXKBOYPEBPBUPT-HKUYNNGSSA-N 422.468 1.906 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 1730842728 PEKNZOQBPIFLKP-IOASZLSFSA-N 403.405 1.868 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C)N1CCOCC1 1730928735 AEFLBNNVTHLZNF-BDXSIMOUSA-N 406.531 1.461 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCOC1 1730941485 FRIUXUYJUBBRKW-TWOQFEAHSA-N 405.499 1.284 30 10 HDEE C[S@](=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1731020491 BPNYPMOERMYVDO-CEXHIMGSSA-N 406.899 1.633 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1740553059 QQYBVRZCGJQJON-KSZLIROESA-N 407.584 1.903 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740586282 VNWZFAZCMATKKX-UHFFFAOYSA-N 422.493 1.605 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740593887 TXUDQISPVNHVTP-UHFFFAOYSA-N 416.551 1.443 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740623294 QZMOPVJIWLUJAZ-TWMKSMIVSA-N 419.551 1.292 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[S@@](=O)C(C)(C)C 1740646452 ADWDUPIEALCHJE-KCWXNJEJSA-N 420.579 1.940 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1740657280 WQFGXKLEJXOYFZ-SFHVURJKSA-N 404.536 1.460 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(=O)NC2CC2)CC1 1740697255 XNVDTALZIZZZAH-UHFFFAOYSA-N 424.524 1.822 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1740730523 AXQXZWSZJZJZAI-SQGPQFPESA-N 405.568 1.514 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)NC(C)C)CC1 1740840376 XIBKCNJQHVRORS-QGZVFWFLSA-N 411.572 1.902 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1740874189 PAGYPENJCSJLTQ-MOPGFXCFSA-N 415.586 1.800 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(N)=O)CCCC2)C1 1740970165 FXQSPJCLAUNJIL-HNNXBMFYSA-N 404.515 1.243 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(COC)CCOCC2)C1 1740975972 FULMXAZNYNIOPD-KRWDZBQOSA-N 414.510 1.960 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1CCOC1 1741918428 BBQGPXKGSLPCNC-ZBFHGGJFSA-N 410.544 1.445 30 10 HDEE Cc1cccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742334211 LLVNXAOJNJMXEZ-ZJYNUGOYSA-N 423.477 1.400 30 10 HDEE CCOCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1747307670 QIHJIEYBAMBZHY-MRXNPFEDSA-N 402.499 1.336 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1747852369 GIPWYUYMZVZQBL-INIZCTEOSA-N 418.523 1.229 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOC[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1748817935 SVTOYQNVWHDCDS-SJORKVTESA-N 410.540 1.053 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1ccnn1 1748891424 VUMIYDNIAURGQL-UHFFFAOYSA-N 403.446 1.819 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749048681 UKYPUOJIHLLVAW-JXFKEZNVSA-N 421.567 1.387 30 10 HDEE C#CCSCCn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749049093 XIFIDKHCUKOAEE-PMACEKPBSA-N 406.552 1.913 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749189802 TYZINMHTMRJUSF-LSDHHAIUSA-N 414.514 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749671111 ZFACIBHMQYQGDU-DLBZAZTESA-N 419.526 1.249 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1750068860 GMJYSXWONCGMGT-QZWWFDLISA-N 403.531 1.324 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1750069979 PCMGWJHSQLXEKB-LSDHHAIUSA-N 416.482 1.797 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1751014797 BTGAAKDYUZYDAO-SFTDATJTSA-N 418.542 1.125 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(Cl)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1760181509 WLEFRMIYNJIPFG-OAHLLOKOSA-N 408.911 1.924 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1760337850 WXEYSKVYHGMXIZ-INIZCTEOSA-N 413.613 1.631 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760357757 IJCBKZFMMKDIJZ-GOSISDBHSA-N 404.559 1.566 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1761020937 VVYJDPGZVASYSH-UHFFFAOYSA-N 418.523 1.446 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)C1CC1 1768086913 IBVJKKIOHXPGNT-KDOFPFPSSA-N 407.482 1.942 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CCO1 1770746537 BCPZDZGNPDQWEV-BLLLJJGKSA-N 402.405 1.479 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1772566720 GCLJUTUKBTVISA-KRWDZBQOSA-N 416.570 1.927 30 10 HDEE C[C@@H]1Cc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc2N1S(C)(=O)=O 1772788623 CAFDATIGGVOVIT-LLVKDONJSA-N 400.412 1.765 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)CCO1 1848548166 QBNHKJOPULGMHV-SFHVURJKSA-N 417.469 1.788 30 10 HDEE C[C@H](C(=O)N1CCN(c2cccc(C#N)c2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1848898788 SJKHIEJRFSWVJS-OAHLLOKOSA-N 424.482 1.440 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#CCN3CCCC3)C2)cc1 1850309857 NBCNXCIZLPRTIB-GOSISDBHSA-N 419.547 1.311 30 10 HDEE C=CCN1C[C@@H](C(=O)N[C@](C)(C(=O)OC)c2cccc(Br)c2)CC1=O 1850959041 GFVHLNFVAHKHKP-SGTLLEGYSA-N 409.280 1.988 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1851847624 GXWHNOCYINZUHS-ZDUSSCGKSA-N 414.528 1.560 30 10 HDEE C[C@H]1CC(=NC(=O)c2nccc(N3CCOCC3)n2)NN1c1ccc(Cl)cn1 1852049132 GOKJGPBIHSCHJD-LBPRGKRZSA-N 401.858 1.704 30 10 HDEE CCOC(=O)C1CCN(CC(=O)Nc2c(C#N)cnn2-c2cccc(OC)c2)CC1 1853214855 PUVXLLQWBCPIQP-UHFFFAOYSA-N 411.462 1.966 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1853401637 HCMCLLLFKSZJPI-UHFFFAOYSA-N 417.445 1.382 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@H](N2CCC(CC#N)CC2)C1=O 1853650767 DBSSBEMXSMOFJE-KRWDZBQOSA-N 400.479 1.541 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nnc(C)o3)C3(CCCCC3)C2=O)CC1=O 1853661394 URGVBIHKILDZDX-MRXNPFEDSA-N 415.494 1.286 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1854259615 GIOQCBQVXNNHMF-MOPGFXCFSA-N 410.474 1.013 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@@H]1C 1854332010 RXZCWIDKQVFZDK-GOEBONIOSA-N 424.523 1.080 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCS4)C(=O)C3)C2)c(F)c1 1854355457 YRNMEUHCXTVTQU-HKUYNNGSSA-N 416.522 1.838 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(-n3cnnn3)cc2)CCN1Cc1ccc(C#N)cc1 1855636603 QXJPYPKVJMRSMG-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCc1cnn(C)c1 1856100164 JVUNZRFYGCXRIK-UHFFFAOYSA-N 416.503 1.665 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)c4ncccn4)C3)CC2)cc1 1856619666 KCYVNFQHWVRQDA-KRWDZBQOSA-N 405.458 1.880 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(-c4cccnc4)n(C)n3)C(=O)C2)C1 1856839803 NJCFJCPGCNMHRE-SFHVURJKSA-N 408.506 1.417 30 10 HDEE CC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(c4ncccc4C#N)CC3)ccc21 1857250216 HWVOKYKLDQMYAQ-UHFFFAOYSA-N 424.482 1.957 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc3ccccc3cn2)C1)[C@H]1CCN(C)C1=O 1857263441 GNANGAPLJXECJQ-UZLBHIALSA-N 406.486 1.942 30 10 HDEE CCOCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC(C#N)CC3)ccc21 1857287395 IQYTVABODRXVAP-UHFFFAOYSA-N 405.476 1.453 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179445 OUTJPPIUPBSZOY-CVEARBPZSA-N 413.474 1.531 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1cccc(C#N)c1 1867020258 YACFNZOXSNPFNO-SFHVURJKSA-N 417.462 1.798 30 10 HDEE C=CCOc1cn(CCCN(C)C)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870385981 VHOPYRKBMJHZMS-UHFFFAOYSA-N 412.538 1.477 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccnc1 1874433716 UPRYYJYHJLDAFH-DNTJNYDQSA-N 416.492 1.379 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C1 1981491849 FWJSGDOMMSULEN-SDDRHHMPSA-N 413.334 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1986145738 XJDZXQDCWBEHPZ-XMSQKQJNSA-N 414.506 1.595 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1986344097 FCFPFJGOGAWWJM-WUZYXKQASA-N 414.506 1.641 30 10 HDEE C=CCN(CC(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1)C(=O)OC(C)(C)C 2124423209 IZDGJYBHCKLNNM-UHFFFAOYSA-N 404.876 1.317 30 10 HDEE CCc1nc(C#N)cc(=NCc2nn(C)c(Cl)c2I)[nH]1 2174385048 ZVNYYNYAGKEZCO-UHFFFAOYSA-N 402.627 1.936 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784063 JWWRCOQTFJNTFY-OAGGEKHMSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 2174788883 KDLFZHRFOLDDKN-SFHVURJKSA-N 401.529 1.752 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2195307148 OVXUQXZWWJOFAU-UPJWGTAASA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2243394986 PLNZJDUVJVUYNQ-RYUDHWBXSA-N 410.276 1.659 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247778325 ACPRYUZZVPOGAJ-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CCC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247825699 ILHVDZYUSXLAQA-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE COC(=O)C1(NC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247827828 DKEVIJZPDQTLGL-OLZOCXBDSA-N 424.303 1.747 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)n1 2247837637 VRZKGJFUBKNERF-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE Cn1ncc(C(=O)NCCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915645 HDQRDAVHSKJIED-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247918797 MZXXJHBFNPZXEY-OLZOCXBDSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248441885 OVYRKLYAFTWLSA-CYBMUJFWSA-N 421.303 1.595 30 10 HDEE C=CCC(C)(C)CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258152239 AUVHAEMDBLJVKT-INIZCTEOSA-N 412.508 1.976 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258152262 BHIWHGRBBOKKET-RDJZCZTQSA-N 408.476 1.431 30 10 HDEE C#CCCN(C(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258165777 LTGVYINVVYKBMH-INIZCTEOSA-N 410.492 1.820 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267728541 WTXINFODFPDLKU-BUBHHJDNSA-N 407.388 1.435 30 10 HDEE C#C[C@H](C1CCC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270493924 GFAWHLSAQNQBNW-ZWKOTPCHSA-N 422.503 1.518 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCS(=O)(=O)C(F)F 2281965189 ICWOITDTQTVMFI-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NCC2CCC3(CC2)OCCO3)OC1(C)C 2282171745 NWRDPPPDKFQYPJ-UHFFFAOYSA-N 403.288 1.439 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)N[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282302604 XPUCZDGAHUPRPQ-BETUJISGSA-N 400.375 1.727 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)N(C)C 2282313118 HEAACLOZXKUEDC-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](O)C1CCC1 2282314698 DFOGEUHPYUIZHP-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCC[C@@H]1N 2282325293 CFYMSCFAEUCHGN-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE C[C@H]1CSCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282329426 MCVLSRBWNSSHRQ-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@@H]([C@@H](F)CO)C3)s2)OC1(C)C 2282332702 FQVJFIQARSYOGK-TUAOUCFPSA-N 405.322 1.435 30 10 HDEE COC[C@@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282338421 RHSCXHASUNPZAL-CYBMUJFWSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(F)C[C@H](CO)C2)OC1(C)C 2282350657 PXKQAFJACGBERF-SXUIPJSXSA-N 405.322 1.436 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(O)C3)c(Cl)c2)OC1(C)C 2282410136 VHGLIXZBQUYWBZ-QGZVFWFLSA-N 401.721 1.785 30 10 HDEE CCOC(=O)CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282420135 VDMDUYRWIZVUMG-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE CC(C)NCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282490290 JIIXQXCRKNVJEH-UHFFFAOYSA-N 402.753 1.916 30 10 HDEE CC1(O)CC(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282506057 MRGOFAATZSOOIP-UHFFFAOYSA-N 401.721 1.831 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282844344 BXDWMNHIYCARMX-NSHDSACASA-N 402.347 1.429 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282864472 GKYMZUGREQKNSR-CANCMXDXSA-N 401.359 1.373 30 10 HDEE CNC[C@@H](C)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871371 FYBMYQNJNZZHLZ-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE C[C@@H](CC(=O)O)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284396110 SMGYUHZOASKFQH-JTQLQIEISA-N 404.319 1.067 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284414620 RUVSGCDVVZVYMN-NSHDSACASA-N 403.331 1.969 30 10 HDEE Cc1csc2nc(Cl)c(C=NNC(=S)NCCN3C(=O)CSC3=O)n12 2330419059 CFHPEZCKCJTMKO-UHFFFAOYSA-N 416.941 1.851 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1O 2330710803 KGOLAUOYKHHESQ-UHFFFAOYSA-N 404.496 1.463 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2365211354 LPXXMAHEQOHKPL-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367782739 AUODGNQPPVKUHO-YJBOKZPZSA-N 400.541 1.606 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793774 DOPWESMDKFISTD-BZUAXINKSA-N 401.525 1.638 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)c1ccc(CC#N)cc1 2382018697 XLMWJWUPTWVXGT-UHFFFAOYSA-N 402.217 1.892 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccccc2F)CC1 17117431 QNNRFUSBMDBKBR-UHFFFAOYSA-N 402.451 1.913 30 10 HDEE C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 23516249 BQRAROWVDUBJJX-NWDGAFQWSA-N 409.537 1.778 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nnc(-c3ccccc3Br)o2)CC1 27559768 QIYVDVBODZFNAS-UHFFFAOYSA-N 420.311 1.919 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2ccccn2)n[nH]1 59887592 AKVURRAWTFHUBB-DJKKODMXSA-N 415.483 1.182 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 108698159 ARKRJCMKRVVSMV-GDBMZVCRSA-N 408.545 1.963 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](NC(=O)COc2ccccc2)C(C)C)CC1 111223719 JVVQZBAIPQLPNE-TZIWHRDSSA-N 400.523 1.899 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 238879294 OVSQYPDQIKBLHL-HNNXBMFYSA-N 402.432 1.974 30 10 HDEE C=CCN1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@H]21 254568721 HFLKWFOKJKCMQY-CZUORRHYSA-N 410.517 1.529 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 301628183 RKGAUOIGEMZQFP-UHFFFAOYSA-N 404.414 1.276 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Br)c1 301863008 FYVIJSKTTDJRLT-UHFFFAOYSA-N 415.313 1.020 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 410073275 DDYPYLFRXGKHQD-HOTGVXAUSA-N 423.535 1.123 30 10 HDEE CCOc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)N(C)C 430355940 HUPFHQVJMWNZCZ-UHFFFAOYSA-N 408.480 1.084 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)c3cccc(OC)c3)cc2)CC1 435939852 YSYZAWAIHXEWEN-UHFFFAOYSA-N 421.497 1.986 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NS(=O)(=O)CCC)cc2)CC1 438167273 IBJOFPHDBXWVND-UHFFFAOYSA-N 423.539 1.290 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@H](c2ccccc2)c2nc[nH]n2)CC1 439457035 POKFIHGRGBUGTN-FXAWDEMLSA-N 421.530 1.954 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 465484399 SSIJWZOYQSUUST-LZWOXQAQSA-N 402.524 1.333 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 468259382 JQQSIRLCZPOMLU-UHFFFAOYSA-N 419.489 1.839 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NCC2CCN(CC#N)CC2)[C@@H]1c1cncn1C 476118270 CNRPHSJQIDBLIJ-YLJYHZDGSA-N 400.527 1.462 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C 482312729 HQHMCEPPYNENFX-SUMWQHHRSA-N 403.508 1.862 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 499424665 VPYARZHDBZVVGY-RFLUGMABSA-N 414.259 1.937 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 504724555 HMLRJTRDIHUNET-GJZGRUSLSA-N 410.496 1.423 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 508907010 KGJGIVUXPDHQEY-HXUWFJFHSA-N 401.515 1.868 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H](C)C1CCN(CC(F)(F)F)CC1 509271989 WTGCZZSBPBYARM-ZDUSSCGKSA-N 400.467 1.346 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2nccs2)CC1 512456843 PBKFXLGOVVXYQC-JKSUJKDBSA-N 404.540 1.238 30 10 HDEE Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 513073604 CWZVLSJXBNSQSR-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE N#CCCN(CCC#N)C(=O)Cn1cnc2c(c1=O)CCN(Cc1ccccc1)C2 514111769 BFHOAIRRENZBNQ-UHFFFAOYSA-N 404.474 1.458 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2cccc(C(C)(C)C)c2)CC1 524465844 FMGKYYPIPHJOKY-UHFFFAOYSA-N 402.539 1.992 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1Cc1ccccc1 532194024 VGNPKUDOOAYOKM-UHFFFAOYSA-N 411.508 1.277 30 10 HDEE Cc1nnnn1[C@H](Cc1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546169940 UWOJVAZJVBQURI-LJQANCHMSA-N 402.462 1.381 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 558964955 PJTYHIHPNGFVAQ-KRWDZBQOSA-N 412.498 1.182 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)Cn2nnn(C3CC3)c2=O)cc1 568566835 OMKCTRNHLWOPPU-UHFFFAOYSA-N 407.434 1.701 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CCC1 570856527 CJIGTZOZKVSPAU-UHFFFAOYSA-N 402.520 1.217 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(NC(=O)N3CCN(c4ncccn4)CC3)CC2)c1 586093901 COCBKRLZCRDHQB-UHFFFAOYSA-N 419.489 1.485 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCCCN2CCN(c3ncccn3)CC2)ccc1F 609196568 OJBDEYPNFUILPH-UHFFFAOYSA-N 418.498 1.368 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 728572503 HOJAHBWLQSGIMS-UHFFFAOYSA-N 407.396 1.622 30 10 HDEE N#CCCN(Cc1ccccn1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 728870853 AGXMCWICZKJHLR-QFIPXVFZSA-N 403.442 1.717 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1[N+](=O)[O-] 730253790 VXTKYRKDSMMPCT-UHFFFAOYSA-N 418.434 1.902 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cn2)c1 732706252 LURLTPUJEYAZEQ-GOSISDBHSA-N 416.441 1.883 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 739001783 DMBOXDGULFEYLF-ZJYNUGOYSA-N 414.437 1.956 30 10 HDEE C#CCN(C(=O)CCSCc1nc(O)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 739700952 OYYBTNYGOOFDPC-CQSZACIVSA-N 419.528 1.608 30 10 HDEE C[C@@H](CC(=O)N1CC(Oc2ccncc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742626788 BBENDFOJVUFDJU-ZDUSSCGKSA-N 400.460 1.189 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2cccc(S(N)(=O)=O)c2C#N)C1 755000284 DPGUWWDPYMUOGC-LBPRGKRZSA-N 418.441 1.833 30 10 HDEE Cc1nn(C(C)(C)C)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 755625134 OODZRXTWXSKQKZ-MRXNPFEDSA-N 411.531 1.684 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1-c1ccccc1C#N 758586803 SNZHPWQMDLQPKN-UHFFFAOYSA-N 424.489 1.793 30 10 HDEE Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400337 JHKIWMDWDOHHIL-QGZVFWFLSA-N 416.507 1.685 30 10 HDEE O=C(C[C@@H]1CCS(=O)(=O)C1)OCCC#Cc1ccc(CN2CCOCC2)cc1 770730071 JKXOZVJMUXTQBP-FQEVSTJZSA-N 405.516 1.628 30 10 HDEE C[C@@H](OC(=O)C#Cc1ccccc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 773446940 DNVAWTZSBAFSGR-HUUCEWRRSA-N 400.456 1.495 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 774228050 LNPAJYJYMDEMLB-GOEBONIOSA-N 423.922 1.667 30 10 HDEE CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 774708281 FYMVNWXQXJAOTH-SFHVURJKSA-N 407.559 1.620 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 775194461 ZOXWVDLAIDQEMZ-UHFFFAOYSA-N 400.385 1.659 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 780178354 YJZPGRJUUHOHRV-FQEVSTJZSA-N 404.419 1.836 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780894742 KWIULQQAQQPBPZ-GOSISDBHSA-N 402.495 1.651 30 10 HDEE C#CC[C@]1(C(=O)N2CCCN(CCOC)C(=O)C2)CCCN1C(=O)OC(C)(C)C 791224481 BFSJWVYLCVKLBS-OAQYLSRUSA-N 407.511 1.487 30 10 HDEE CC(C)n1cc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)nn1 797267052 MRSMHHUOCYYYLM-UHFFFAOYSA-N 416.232 1.751 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 802568872 PMZVTSHHZQLKJF-UHOSZYNNSA-N 402.543 1.347 30 10 HDEE Cc1ncc(S(=O)(=O)Oc2cccc(NC(=O)CN3CCCC3=O)c2)cc1C#N 813652631 IGMXEDDZDNYAGR-UHFFFAOYSA-N 414.443 1.590 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)C1 813837258 GSBWWKFNZQCVKU-RTBURBONSA-N 414.506 1.745 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2nc(C(=O)OCC)cs2)cc1 814440373 ZNMGQBCRPNTHPJ-UHFFFAOYSA-N 408.457 1.588 30 10 HDEE N#CC1(CC(=O)OCC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 815413506 TYWHVLBAKNXMIU-UHFFFAOYSA-N 419.503 1.714 30 10 HDEE C#CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)[C@H]1CCS(=O)(=O)C1 918756302 QAOLOCZZFQFKBW-INIZCTEOSA-N 408.479 1.804 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCc2nnc(C(C)C)o2)n[nH]1 1084054276 QNENKZQOUHDERZ-UHFFFAOYSA-N 405.488 1.855 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 1137113950 APKREUVOPZNBLT-HUUCEWRRSA-N 403.483 1.257 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CN2CCN(C)CC2)C1 1141387319 KJUAFWABWQZIFS-INIZCTEOSA-N 400.951 1.728 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C#Cc1ccc2c(c1)OCO2 1142067140 GIIUIWMUEZXRJW-UHFFFAOYSA-N 420.418 1.091 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OC 1155474194 CPBXEXTVDFXBTR-SFHVURJKSA-N 417.487 1.932 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1162480605 OHPZFTKUIZSXMV-ZNMIVQPWSA-N 402.513 1.118 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)COCc4ccnc(O)c4)CC3)n[nH]2)cc1 1165559677 SEKJJOSONHBFQN-UHFFFAOYSA-N 418.457 1.914 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c(C)o1 1178460263 GEOOGTSUWUZBIU-AWEZNQCLSA-N 403.464 1.480 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(OC(F)F)c2)CC1 1202452783 OKQZSFVITCQLFH-UHFFFAOYSA-N 422.841 1.559 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1251290511 BMDRKDCRJAELFU-QGZVFWFLSA-N 400.456 1.733 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCCN1CCN(CC)CC1 1286271007 PTXXZDYXWNCSMV-GOSISDBHSA-N 403.575 1.292 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1286303450 COJCPIDFONOKFU-LVQVYYBASA-N 416.526 1.643 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1286373297 LEOLLFLYKZLGIN-UHFFFAOYSA-N 409.462 1.252 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1286428590 DHXUKQWBACZCIL-IRXDYDNUSA-N 405.458 1.532 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286470628 AOUSIDUKAGKNFR-OSCRUYLVSA-N 411.510 1.073 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2oc(CC)nc2C)CC1 1286472857 WDRIDQGXPVAYFD-QGZVFWFLSA-N 416.526 1.664 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286592650 OTNWCJQSDHSDQN-HNNXBMFYSA-N 409.556 1.497 30 10 HDEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1286616860 DYYRYCNYNVEGLH-GUDVDZBRSA-N 412.490 1.856 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)CN1CCOCC1 1286720978 XYJPFOQUIXGNRQ-KRWDZBQOSA-N 423.525 1.511 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1286965221 ICIZMZTXEBQRJC-HOTGVXAUSA-N 407.482 1.732 30 10 HDEE Cc1ccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1289609038 DIHOJMDRLPEKHY-BQOWYSNXSA-N 412.450 1.598 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1289624187 DTNNNEJMBIOAFC-GOSISDBHSA-N 403.504 1.167 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cn1 1293778017 WQUYIUDYTLWSOI-QGZVFWFLSA-N 415.494 1.292 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)cc1 1296162546 VRQXIGPJLDPLLQ-HKUYNNGSSA-N 406.360 1.959 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297131308 AZRFMXPTQXVATL-MNGLYYNBSA-N 402.499 1.823 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@@](=O)C(C)(C)CC2)s1 1297943668 VHFPDOCCVPEUSB-XMMPIXPASA-N 404.579 1.515 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(C)(C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 1299837617 PRLCRIBGDPGAAF-UHFFFAOYSA-N 422.482 1.664 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1300428349 FJYHTTSGSZNKDV-OAHLLOKOSA-N 404.515 1.839 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1300448880 IGHAROOSJQERJJ-UHFFFAOYSA-N 419.507 1.115 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCN1CC 1300459368 BYHQQWWWCIGBDM-MRXNPFEDSA-N 415.567 1.792 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1300531724 GMBQWXPLMYJJPA-OAHLLOKOSA-N 421.448 1.133 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1300802181 JMXZBKMZJSEBNS-AUSJPIAWSA-N 400.483 1.500 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1300875781 QMAQTPUDLXRRIZ-RDJZCZTQSA-N 423.583 1.746 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1300991850 WHOXWGRICDRLDY-KZNAEPCWSA-N 424.567 1.778 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1301054736 VLDFADVISNYCLU-HIFRSBDPSA-N 405.430 1.676 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1301272903 LSDAMKHOXWHGBM-CVEARBPZSA-N 422.555 1.941 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1)C1CC1 1301322435 IYWRSUBBNDOGMI-KRWDZBQOSA-N 415.519 1.858 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1301390478 INCWSNUUXSSKOJ-IAGOWNOFSA-N 416.551 1.818 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1301422791 XBPJAMPGLOIKBV-JKSUJKDBSA-N 413.478 1.708 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1301458918 JVDZZUSIYFYMAN-OALUTQOASA-N 410.522 1.707 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1301462986 HFDIVKTZRUOCBA-UHFFFAOYSA-N 420.521 1.830 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301588309 FPVCUVQDNYBCTI-YYIAUSFCSA-N 410.540 1.102 30 10 HDEE CN(C)CC#CCNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1302295001 FBTSSXQWJUGSAX-UHFFFAOYSA-N 405.296 1.201 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)CCCN1C(=O)OC(C)(C)C 1303343028 VGAZGTRVOYIVIV-TWOQFEAHSA-N 410.536 1.673 30 10 HDEE N#C[C@@]12CN([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1308100328 MVPIVIDYPCHGSN-KCTSRDHCSA-N 414.314 1.969 30 10 HDEE COC(=O)c1cnc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1308600023 GSCMDOSZATUSDO-CYBMUJFWSA-N 420.516 1.869 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(CC(=O)N3CCN(CC)CC3)cc2)CC1 1310382894 BDXMUGCSNQFHPM-UHFFFAOYSA-N 412.534 1.775 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CC2)cc1 1312373477 BVNYURDMDCBWMK-PXNSSMCTSA-N 418.519 1.126 30 10 HDEE COCCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1=O 1316129209 NBNZCVZNNZRCEC-UHFFFAOYSA-N 407.434 1.148 30 10 HDEE COc1ccc(-c2noc(CCC(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)cc1 1318358892 BKDABWYLWLJAIT-CZIZESTLSA-N 411.418 1.320 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1349722197 DFEOQOWWPFHLJL-UHFFFAOYSA-N 417.350 1.648 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1358896448 DMURLDGGKJPVRC-HNNXBMFYSA-N 404.515 1.773 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1cccs1 1358984439 VHYGULDEBBYTBT-NRFANRHFSA-N 411.531 1.946 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359219276 LXKJKOGTDXMFMD-UHFFFAOYSA-N 421.571 1.578 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359227545 DNPZZMNPCAMEAX-UHFFFAOYSA-N 420.558 1.243 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359228593 HRLZMPXULSWQHZ-FQEVSTJZSA-N 416.551 1.943 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC(=O)N2CCOCC2)C1 1360784613 IFHHJHRZWJXARK-OAQYLSRUSA-N 409.494 1.253 30 10 HDEE N#Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)nc2n1CCOC2 1440041271 AVLQTGIBKKTXMT-UHFFFAOYSA-N 415.475 1.712 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1448879916 BSOLLMBAOTXKHB-UHFFFAOYSA-N 400.570 1.332 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(c3ncns3)CC2)cc1Br 1449957289 PKQZROJEUQUHFA-UHFFFAOYSA-N 408.281 1.900 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c1 1454694079 PXPYMFZCMSVKSW-UHFFFAOYSA-N 409.511 1.556 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3nc(C(C)(C)C)cc3C2)c1 1456647820 GWRNJIFKGOYWBM-UHFFFAOYSA-N 400.504 1.748 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccc(C#N)n2)C1 1462718650 FAIQLURCSMALMN-AWEZNQCLSA-N 408.480 1.107 30 10 HDEE C#CCN(C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12)C(C)C 1462940828 FFSCTXTYXRSPJD-UHFFFAOYSA-N 417.487 1.445 30 10 HDEE CC1=C(C)C(=O)N(CCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1=O 1463635734 VRCXGXYPPWHIHG-UHFFFAOYSA-N 423.429 1.550 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H](c1ccccc1)C1(CO)CCOCC1 1469486219 IUFJIGWTYJOUGY-NHFXJNLRSA-N 413.474 1.550 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3ccc(Cl)cn23)cc1 1470344440 JIXSMDXEZJBLRX-UHFFFAOYSA-N 418.866 1.505 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1ccc(F)cc1F 1470397967 VMRPTOBFTTXLOQ-INIZCTEOSA-N 423.441 1.633 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccccc3C#N)CC2)CCC1 1473139934 MRBVHVKIZLWELU-LJQANCHMSA-N 420.579 1.682 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1475861049 HNPSPXXSZGDKGM-QGZVFWFLSA-N 400.479 1.226 30 10 HDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1494621007 DACVUEHTOIGJIT-AWEZNQCLSA-N 410.507 1.847 30 10 HDEE CCCN(CCC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1500841627 INWGYADBORUTSB-STGLLQLASA-N 415.498 1.382 30 10 HDEE CCOCc1nnc(N2C[C@H](C)C[C@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1503028273 AYLBWBGTUMEJJQ-RHDHSSKXSA-N 402.499 1.966 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507571923 RGTMZMCPYNTVLM-SFHVURJKSA-N 400.527 1.086 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOC1=O 1507659102 WKPHNSQITAGMKC-UHFFFAOYSA-N 421.461 1.231 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)cc2OC)CC1 1507733310 TWUXWFZNWFXLNF-LJQANCHMSA-N 411.506 1.950 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1507747596 IRAXOEKEWWHBSK-INIZCTEOSA-N 411.491 1.976 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1517090722 AZWPHZSNVFNHSQ-MRXNPFEDSA-N 409.494 1.446 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1519205586 DKZJGOQZUIBYMS-LJQANCHMSA-N 412.494 1.001 30 10 HDEE COCCOC1(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1519344212 JIUZBGDLXRFSCB-LJQANCHMSA-N 418.473 1.927 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCC[C@H]1C 1519431527 WCNRLSICGHYWSG-BROHORATSA-N 407.490 1.995 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CCCN1C(=O)OC(C)(C)C 1520811709 SAJRPLMIOJLFLJ-VGSWGCGISA-N 421.538 1.875 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1525055190 YLWVLKXNHDZWDT-BBOXDSQKSA-N 417.259 1.402 30 10 HDEE N#C[C@H]1CN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CCN1C1CC1 1535360921 VNKVBHXFLNWVIU-IBGZPJMESA-N 402.520 1.358 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)c(C#N)cn1CC 1536588778 BDABPLSSPZKUAW-JTQLQIEISA-N 400.357 1.906 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCCc3cc(OC)c(OC)cc32)C1=O 1536915083 KAQKTISGALUETO-HNNXBMFYSA-N 415.446 1.564 30 10 HDEE CCS(=O)(=O)N(C)CC(=O)Oc1ccc(C#N)cc1I 1538615809 INUUPKDFZXSBNM-UHFFFAOYSA-N 408.217 1.350 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCO1 1538881188 LTKIBDVNBBIWTC-MRXNPFEDSA-N 402.476 1.349 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1539052600 GZNMNVXJHHEZLJ-INIZCTEOSA-N 405.499 1.884 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539515196 ZSGQPIFVFIZNGY-JKSUJKDBSA-N 418.567 1.338 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1539742374 CHWXRFODYBSTQU-QGZVFWFLSA-N 402.499 1.958 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1540007075 YBORSWBZWXQTEY-HUUCEWRRSA-N 418.585 1.406 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1540064511 WDBXERLYCARQOU-UHFFFAOYSA-N 414.539 1.951 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1540874085 UUDZUDCCBFJXLU-GOSISDBHSA-N 412.542 1.658 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1540915013 GTDWTUIDLUPGRX-OAHLLOKOSA-N 407.540 1.534 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1541104869 BOEJCICNLNCUGE-VXGBXAGGSA-N 412.466 1.811 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCSC2)CCOC1 1541723850 JKKLEOWSOZEPSS-VQTJNVASSA-N 421.567 1.927 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C(=O)C3CC3)CC2)C1 1542774619 WNWMXDWPGHALDB-UHFFFAOYSA-N 417.307 1.838 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 1543031981 ONUZTCAWJKGIJG-CQSZACIVSA-N 407.467 1.501 30 10 HDEE COc1ccccc1SC[C@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1543178347 GJXLKGBFSCPHDM-CYBMUJFWSA-N 402.476 1.764 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1543253018 LLZYOBLGAORQSF-HNNXBMFYSA-N 422.507 1.498 30 10 HDEE C#CC[C@H](COC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1543467338 CTUQFIBOMIVIOQ-KDOFPFPSSA-N 422.279 1.371 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1544780365 SYZNDKHXCKIGBX-NRFANRHFSA-N 401.463 1.750 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](CO)O1 1545461348 SVKYWGOAKNJZBO-XOKHGSTOSA-N 412.494 1.866 30 10 HDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1546025899 WURAMFDYCPGLBA-DLBZAZTESA-N 421.542 1.339 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1555524939 LKFFTPZAUPPSMI-MOPGFXCFSA-N 423.521 1.110 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CCn1cncn1 1555732121 YGOKLDPJSNTSKJ-OALUTQOASA-N 422.493 1.802 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1556093014 YDDVMXZQLUWEMO-XAUUPUKJSA-N 413.540 1.666 30 10 HDEE O=C(Nc1sc2c(c1C(=O)N[C@H]1CCN(O)C1=O)CCCC2)c1cccnc1 1556749297 CFMJAKWWXJXZIC-ZDUSSCGKSA-N 400.460 1.994 30 10 HDEE C=CCOc1ccc(CC(=O)N2[C@@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1 1556930890 XPNYJRFPMNNUBO-PBHICJAKSA-N 406.504 1.763 30 10 HDEE Cn1cnnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1557296202 HZJZNHOKADNZBO-AWEZNQCLSA-N 413.869 1.042 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Sc2ccccc2Cl)CC1 1558072831 FRTUTKOKMQVJJZ-ZDUSSCGKSA-N 401.941 1.432 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1cc(Br)cc([N+](=O)[O-])c1=O 1559387937 QVNRBFXJCVAKND-UHFFFAOYSA-N 416.187 1.819 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(S(=O)(=O)CC)C2)cc1 1562197245 HESFEZLKUXOVGG-UHFFFAOYSA-N 401.510 1.144 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CC[C@@](O)(CC#N)C2)CC1 1565316379 NONVRIRIYBTOFG-NRFANRHFSA-N 423.558 1.769 30 10 HDEE Cc1nc(SCC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)c(C#N)c(C)c1C 1568773593 BRSHSAOMJXQVLO-GOSISDBHSA-N 415.563 1.782 30 10 HDEE Cc1nsc(N2CCN(C(=O)Cn3ncc(Br)c3C)CC2)c1C#N 1584061293 AQVMHXSWFDNABX-UHFFFAOYSA-N 409.313 1.939 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@@H]1CCC[C@H]1C#N 1587115856 VVWPNAXFPWVEIT-VHSXEESVSA-N 406.327 1.940 30 10 HDEE CON(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C 1587605243 KAOQKAYCAICTPT-CHWSQXEVSA-N 411.480 1.345 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1587750261 VIKQTAWDJZROMQ-UHFFFAOYSA-N 419.555 1.342 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1587766815 ZCTLGIIOIZLDQS-SJORKVTESA-N 414.510 1.448 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)N1CCOCC1 1587823062 JQEDRKBIZLMJHD-UHFFFAOYSA-N 412.450 1.562 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(CC)s1 1587932068 KTRYEDKNKYXZPV-UHFFFAOYSA-N 416.532 1.880 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588254197 RTXKAUFLDNMDDG-LJQANCHMSA-N 422.533 1.946 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CC1 1588763309 UCZFYFDXXWAFQX-UHFFFAOYSA-N 421.343 1.954 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCOC)CC1 1588864997 OSFKKFIOMDQMPM-UHFFFAOYSA-N 402.524 1.061 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCN(C)C1 1589652011 MBSVQZIKMCLDLL-HXUWFJFHSA-N 402.499 1.475 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1593650262 SJBPAXITIROALO-UHFFFAOYSA-N 418.505 1.661 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O)C1CC1 1595020506 HCSBYHFVCHSSIZ-YJYMSZOUSA-N 422.555 1.054 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595522833 KZZBZTRFYRAHBZ-UHFFFAOYSA-N 421.461 1.198 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CC2)C1 1595664725 JGUMIKFRROPVST-QGZVFWFLSA-N 418.542 1.062 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1 1596809763 IYLNQDILSPRVFP-OAHLLOKOSA-N 403.487 1.005 30 10 HDEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccc(Cl)cc1F 1597001887 FXMFKAYEMWFOQG-IPELMVKDSA-N 418.856 1.992 30 10 HDEE COc1ccc2c(c1)C(=O)N(CC(=O)Nc1c(C#N)cnn1-c1ccccc1)C2=O 1614648140 ZMJSHCFNDTVBIX-UHFFFAOYSA-N 401.382 1.987 30 10 HDEE CN(CCc1ccccc1)C[C@@H]1OC[C@@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1O 1615259069 BKIQHWVOHFPJNM-HKBOAZHASA-N 415.515 1.139 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1615448785 DWUPDNLIBAWSAR-KXBFYZLASA-N 407.494 1.030 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC(F)F)cn1 1618397850 VGSDXPSRSKARKY-OAHLLOKOSA-N 406.441 1.484 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ncccc2C#N)CC1 1618789424 YMONHABFOLKZOB-UHFFFAOYSA-N 420.477 1.576 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1619828019 GKFUWISYAWJWGF-INIZCTEOSA-N 411.466 1.278 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1619911402 SIBKOWGDORPALM-NRFANRHFSA-N 409.494 1.717 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CCOCC1 1622332704 SHZQJSJFEITWKW-UHFFFAOYSA-N 400.522 1.531 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OC 1622571296 ARJBOTRKEVVMEZ-RDJZCZTQSA-N 411.476 1.729 30 10 HDEE N#Cc1c(C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)[nH]c2ccccc12 1623788309 AYGMWMPZVSEYOE-AWEZNQCLSA-N 402.476 1.306 30 10 HDEE C#CC[C@H](NC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O)C(=O)OC 1629617460 PZOKWTLBSDIIKW-AWEZNQCLSA-N 407.348 1.854 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632077949 WJLLAFQARDMWFJ-JKSUJKDBSA-N 416.279 1.962 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CCc2cnccn2)CC1 1632849465 VAGRQMRCNYTKKX-SFHVURJKSA-N 416.526 1.750 30 10 HDEE C=C(C)C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1633301507 SFSGTXWAFLOPBR-QMMMGPOBSA-N 424.093 1.817 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)NCc2ccc(C(=O)NO)cc2)c1=O 1634104598 BJPXQSXVMWIXLY-UHFFFAOYSA-N 401.419 1.239 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1634188493 WCBXPDGFPMKYLZ-QGZVFWFLSA-N 423.477 1.565 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)s1 1635572022 ZWQSAXDUTKWCOL-MOBUCQHHSA-N 420.556 1.964 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)CC1 1638489958 XITPNTKYYGZULR-PKOBYXMFSA-N 418.444 1.408 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1638678852 ULAKYYSDKBRHTG-OSICKASQSA-N 408.502 1.004 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](C[C@@H]3COCCO3)C(F)(F)F)CC2)c1C#N 1638691795 PXCWDQDWGDCTEV-UKRRQHHQSA-N 415.416 1.233 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCCn2cnc3c(N)ncnc32)C1 1639270550 ZKUVRZXWHCJPKZ-QGZVFWFLSA-N 404.478 1.798 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1639638461 WCAZSPUGFNKATR-SJORKVTESA-N 411.549 1.519 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(C4CS(=O)(=O)C4)C3)C2)C1 1641164238 AOXPPRBZVLWOJK-WGAFOPHPSA-N 423.535 1.276 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)cn1 1644131173 FCSUYTRHDDEYHL-KRWDZBQOSA-N 412.471 1.227 30 10 HDEE C#CCOCCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1644239502 ATSOMNPBGWBPTO-XHSDSOJGSA-N 407.467 1.067 30 10 HDEE CN(C)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1644508849 NCPRJVBNMPNXSJ-ZGOJQLDESA-N 419.526 1.599 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1644638003 GARTVOWDCSCUHS-LMMKCTJWSA-N 419.547 1.312 30 10 HDEE CCN1CCN(C2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1645365911 HDWIQIDABCYRDX-GOSISDBHSA-N 407.559 1.812 30 10 HDEE Cc1cc(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1ccc(C#N)cc1 1645733483 IKNULQQICIDLFF-GOSISDBHSA-N 401.488 1.851 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)C2)nc1 1652331599 CAWMTVPXQPUBEX-HZSPNIEDSA-N 416.425 1.579 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660446417 AWUVCYKQHXEVRT-DETPVDSQSA-N 401.410 1.903 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 1665150129 TZMZEEUTSFXHAS-MRXNPFEDSA-N 409.508 1.886 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)CC1 1671475412 VYIDXPYXQLVMFD-UHFFFAOYSA-N 421.519 1.262 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1673750045 JWTSVRARBCENTR-GOSISDBHSA-N 403.504 1.925 30 10 HDEE C=CCn1cc(CNC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)nn1 1673802672 MBIOOCNWLYGQHT-UHFFFAOYSA-N 422.486 1.209 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCc1ccccc1S(C)(=O)=O 1675916937 HKGFOPNXPWHWKZ-SFHVURJKSA-N 401.488 1.879 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 1678362217 BWXQQPSCHCPHRM-UHFFFAOYSA-N 409.508 1.569 30 10 HDEE C#C[C@@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1)[C@@H]1CCCO1 1680314302 MSTHGQUXXZHHTL-WCVJEAGWSA-N 417.428 1.425 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 1683494025 LBFWWRCOWHFZHB-UHFFFAOYSA-N 400.512 1.489 30 10 HDEE COc1nn(C)cc1CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1685638302 VIJWJCHLSCSUTH-UHFFFAOYSA-N 405.462 1.880 30 10 HDEE C#CCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1689941836 VPRYNONRDHSMEC-DYESRHJHSA-N 401.511 1.545 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988796 WLCALFJQPUZIMG-QGZVFWFLSA-N 406.552 1.868 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(n1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1689993273 ZQLGKRHKISFPCI-GOSISDBHSA-N 413.547 1.789 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1690156323 VBHWIMPVEKTOES-KGLIPLIRSA-N 415.585 1.258 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(=O)N(C)C[C@H]2C)nnc1C1(c2ccccc2)CCC1 1690676901 IBTZPHHUQNJYOT-QGZVFWFLSA-N 422.533 1.717 30 10 HDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)CC1 1690683352 IRHFUYWSNXVYHW-UHFFFAOYSA-N 424.505 1.340 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690725280 LABHPKBNSBNHPL-AWEZNQCLSA-N 411.528 1.108 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690733973 SADCOWOTYLTKOZ-KKUMJFAQSA-N 417.601 1.811 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC(=O)N1 1691099113 MYJLNBJLGFFWPE-MRXNPFEDSA-N 408.510 1.447 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCO)C1 1692852915 LULMGCGSSAYNHP-FQEVSTJZSA-N 416.482 1.535 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1698492405 CFIWIPBCIODZSY-AWEZNQCLSA-N 424.852 1.264 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)nc1 1698495090 FGYILBUHXQWVNV-UHFFFAOYSA-N 403.450 1.407 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1705477368 NAINEZWOYCCCMZ-LSDHHAIUSA-N 412.519 1.943 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1705549905 MVWACGYCOYRWHG-UHFFFAOYSA-N 407.496 1.290 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCS(=O)(=O)N1CCSCC1 1705573344 FBKCLBBBMQJEJO-MRXNPFEDSA-N 409.581 1.243 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC(=O)N1 1705625478 LRGFQCXQLAZQKY-GOSISDBHSA-N 407.453 1.736 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705657991 YKUDGKJOBAKZKU-UHFFFAOYSA-N 407.503 1.363 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1705739518 JDQDTPARSGBJEF-UHFFFAOYSA-N 418.498 1.072 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@H](COC)C1 1705900440 DJEYOHJHGKCIEP-HOTGVXAUSA-N 424.505 1.969 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@H]1CC 1705929081 ZJVLBVKMGWBKSO-JKSUJKDBSA-N 409.556 1.740 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1706074987 HTLYHFCSTMKZGV-UONOGXRCSA-N 422.486 1.389 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1707590375 IUHSAWIOWOZQBS-INIZCTEOSA-N 408.466 1.377 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1711401206 KNMRZZZNWPCUEY-RTBURBONSA-N 424.505 1.758 30 10 HDEE COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1712427309 JVZMSKIYZYISCT-TXPKVOOTSA-N 410.494 1.022 30 10 HDEE COCCOCCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712608878 XGDBHYPQTRYPAC-INIZCTEOSA-N 414.514 1.407 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1712876885 WTHGQHHAASWGFV-LIRRHRJNSA-N 402.430 1.523 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1712886049 GYYHRWGCSAXXBU-ZBFHGGJFSA-N 400.414 1.004 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722286504 CYSRKHKCOMMGSY-HNNXBMFYSA-N 417.473 1.061 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722290466 FZBRIBUURSFJNW-ILXRZTDVSA-N 404.515 1.848 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722337099 VCVDGTXYCNJVJG-MRXNPFEDSA-N 412.494 1.724 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NCC)c1 1722342442 PNDRZEXEWWSEGJ-UHFFFAOYSA-N 417.473 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1722342855 ABJOHVCHDQRPFV-UHFFFAOYSA-N 417.271 1.316 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722358100 DKVSHHIBXMQVKF-INIZCTEOSA-N 404.540 1.407 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC2CC2)C1 1722458128 DGLRCGSNIAQXLP-IAGOWNOFSA-N 403.552 1.991 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCOCC1 1722464382 DLQPXUWPSXMVTG-OAQYLSRUSA-N 415.538 1.949 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722498920 AYELEXWFMDUUQG-INIZCTEOSA-N 424.571 1.198 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1722685802 NFFQDYQHGXYARX-IRXDYDNUSA-N 419.555 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@@H](C)C1 1722697189 JBJCBARQJJNYFY-CQSZACIVSA-N 400.483 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)C1 1722730602 XBWGDJNUWNCKTN-AWEZNQCLSA-N 423.564 1.717 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1COCCO1 1723307542 FVTRZSSMEWQEKP-KRWDZBQOSA-N 412.494 1.817 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccncc1Cl 1723912114 IPTQSSCLPMCYEH-RYUDHWBXSA-N 411.919 1.723 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@]3(O)CCCC3(C)C)CC2)c1C#N 1725860508 CRFHJNBJMXOVGH-NRFANRHFSA-N 412.542 1.768 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCN(C)C(C)(C)C1 1726389358 LXPGWVXLYWFZJH-UHFFFAOYSA-N 410.526 1.148 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1728259846 GDRNWISRQLGUDR-GOSISDBHSA-N 419.493 1.728 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1729691580 CPZBGGSAWBTPBV-UHFFFAOYSA-N 419.493 1.346 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1740533444 ROCPZRVCNDPWHH-CHWSQXEVSA-N 410.569 1.608 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740590864 KIZQQCSXIONFKZ-SJORKVTESA-N 421.567 1.335 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCCCC2=O)CC1 1740693907 QNQOJKFNXUBTHG-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)CC1 1740762568 UXUHGQJHOJPINU-BJLQDIEVSA-N 416.570 1.988 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740791575 LPNSAVYOQCNJAI-QGZVFWFLSA-N 420.539 1.451 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740857474 NWKCDPJSTRSAOI-OAQYLSRUSA-N 409.494 1.998 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740887019 ZVJSLOKGHCCYND-UWJYYQICSA-N 419.526 1.377 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740956119 LLYBYAOTEONNRY-IBGZPJMESA-N 424.549 1.714 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2CCCO)C1 1740975370 BKNYSFMUCWMSQV-RBUKOAKNSA-N 414.554 1.912 30 10 HDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1741275606 CUDCNRDQJWVJFD-OAHLLOKOSA-N 420.477 1.989 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1CCOC1 1741918424 BBQGPXKGSLPCNC-GOEBONIOSA-N 410.544 1.445 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(=O)OC)CC2)cn1 1746353312 BAXUKIGWPGNTGP-UHFFFAOYSA-N 420.477 1.970 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1748730273 HXHWZDURWWYAMZ-GOSISDBHSA-N 415.538 1.949 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748793443 AQGOLPGEVMYZBM-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC 1748962994 VXDWJWKVHDJXGH-QGZVFWFLSA-N 418.519 1.323 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749127653 NPQLHJSZMWBBCW-HKUYNNGSSA-N 402.543 1.395 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC[C@H]1C 1749221316 JPUXYEFHKBSSCT-SUMDDJOVSA-N 424.505 1.869 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1749676929 IMDTWLRGCTWXGI-UHFFFAOYSA-N 408.506 1.495 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(COC)CCC1 1750154462 OMYDEIUENKKLTA-ULQDDVLXSA-N 405.499 1.548 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1751090087 WFBARALQYFAWCV-QZTJIDSGSA-N 417.558 1.489 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1751276564 CJYASIYBAKFWKF-LPHOPBHVSA-N 407.540 1.737 30 10 HDEE Cc1cc(F)ccc1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1751431579 HXKCVNOWGYXIGH-GOSISDBHSA-N 412.469 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1760099549 IIDRABWAMKNWNS-OXQOHEQNSA-N 424.567 1.744 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1760261271 NFJIWDAQIXPVTK-QZTJIDSGSA-N 414.554 1.359 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760283132 CEXUJGIDUNUNAG-ZDUSSCGKSA-N 404.565 1.667 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760449263 FNYHUGXOVZMAFX-IRXDYDNUSA-N 412.494 1.875 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760519792 PUMLRCVVULUBLN-KRWDZBQOSA-N 412.494 1.962 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1760543760 VKYAELHUWMZAAI-FUHWJXTLSA-N 417.514 1.128 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)C1 1760546266 LVIXMWPDMDXNJF-QGZVFWFLSA-N 417.535 1.571 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCO[C@@H]1C 1761020874 TZAJIGLQTVRKMN-SPLOXXLWSA-N 412.494 1.551 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)cs1 1762258714 GTRVTMJHLBVNHQ-LBPRGKRZSA-N 408.553 1.949 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1762980352 WZPNOKIMQJEBPE-MMYRVIJDSA-N 424.509 1.687 30 10 HDEE CCC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765642591 KWIVUBIJZNWNBC-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCCNC(C)=O)CCOC1 1765868238 LERCNFDWVGVFAG-FQEVSTJZSA-N 404.515 1.586 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1)OC 1769237512 GTXSINYXLRTJRQ-RBUKOAKNSA-N 422.493 1.911 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCCO2)cc1 1770733334 YIFVQUNZBQHCJA-OALUTQOASA-N 424.505 1.714 30 10 HDEE COCCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C#CC(C)(C)C)CC1 1772841652 PLOPWVUMEGCTKP-IYWGDAJJSA-N 402.535 1.925 30 10 HDEE CC(C)[C@H](C(=O)N(c1ccccc1)c1ncc(C#N)cn1)N1CCS(=O)(=O)CC1 1851715097 KJIKGFVGOJLDAA-GOSISDBHSA-N 413.503 1.768 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)COc2nc(Cl)c(Cl)cc2Cl)NC1=O 1852379767 FAWLRMFBEWMHSJ-UHFFFAOYSA-N 405.625 1.742 30 10 HDEE COCCN1C[C@@H](C(=O)Nc2c(-c3ccc(F)cc3)cnc3c(C#N)cnn23)CC1=O 1852583059 CHXHKIHEAIYWHD-AWEZNQCLSA-N 422.420 1.840 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cnn(CCC)c2C2CC2)C1=O 1854167485 HMGAJNRKVTYUQS-QZTJIDSGSA-N 413.522 1.630 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1C[C@@H]1CCS(=O)(=O)C1 1854360348 MAFCNVJRXIBOTD-SFHVURJKSA-N 417.531 1.375 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(Cc3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1854732323 SSBSQHDQTYIUEJ-MRXNPFEDSA-N 411.483 1.804 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)C1 1856626503 QTNDCHQPSWZKCU-INIZCTEOSA-N 420.510 1.520 30 10 HDEE C[C@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O 1857388197 GZXSVTGDJHINKS-HNNXBMFYSA-N 407.426 1.925 30 10 HDEE COc1ccc([C@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc1O 1862754433 LTMRMFWLNAUPMC-KRWDZBQOSA-N 414.370 1.880 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1C[C@H](C)O 1870503302 GBYDTJZBAFQQAK-HNNXBMFYSA-N 418.519 1.877 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699940 XFPLGWKOSBSSQM-UHFFFAOYSA-N 423.481 1.212 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCOC)ncnc21 1875228288 ISTBWEADKYAUEG-UHFFFAOYSA-N 400.483 1.370 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1889598223 MENIQVKSIXVMDE-UHFFFAOYSA-N 419.591 1.638 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(F)c(Br)cc1[N+](=O)[O-] 1890842141 BYXBJZMCJNLGGX-UHFFFAOYSA-N 400.204 1.562 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1985194538 RYDUSHMYSUEPKT-IBGZPJMESA-N 413.522 1.432 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2074666019 UYOAWSVKACGPGR-INIZCTEOSA-N 403.416 1.248 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(Cl)cc3)s[nH]2)OC1(C)C 2110111648 RUXWNAAKPIIOSL-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CC1 2118166003 HFVHBAKBLZQELA-QZTJIDSGSA-N 422.507 1.140 30 10 HDEE C#CCOCCOCCOC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2133403771 WLZMDVYLFFQQCS-UHFFFAOYSA-N 405.447 1.925 30 10 HDEE CN1CCC(CNC(=O)OC(C)(C)C)(NS(=O)(=O)c2ccc(C#N)s2)CC1 2187394277 QACBBZKOGFUTJM-UHFFFAOYSA-N 414.553 1.887 30 10 HDEE C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](S(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195274501 ZOGCMBMXZJSXSO-ZXTQRBJTSA-N 405.513 1.875 30 10 HDEE C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446248 GIMOYBITGWRJNT-KSSFIOAISA-N 401.529 1.608 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243685532 WLMZPUOOODMPIE-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE Cc1nn(C)c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247823965 SSBQHODCNUITDT-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCCNOCc3ccccc3)c(F)c2)OC1(C)C 2247909820 FPKLAMPYLXRGJG-UHFFFAOYSA-N 415.274 1.971 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@H]3CO)cc2Cl)OC1(C)C 2267706003 PRWPWYRYJBIFRB-ZJUUUORDSA-N 407.750 1.607 30 10 HDEE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281792513 KDVXNVILOKYYOW-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1sc(C(=O)NC[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281945095 UTKJITCEQDIQIG-SNVBAGLBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]34COC[C@H]3C4(F)F)s2)OC1(C)C 2282332730 FZSGLFIJSFGLHP-OTYXRUKQSA-N 407.269 1.360 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(F)C[C@H]3CO)s2)OC1(C)C 2282335260 NDUUSXADUADJIA-JTQLQIEISA-N 409.285 1.438 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)OC1(C)C 2282507976 OZBUFXMJMXKUGP-NQBHXWOUSA-N 400.331 1.182 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(N)=O 2282508720 AGWNQAOXEMYLRV-GFCCVEGCSA-N 402.709 1.181 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(N)CCCCC2)OC1(C)C 2282509407 KEQSSDWJORNSTH-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE CCN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2282519119 JBIDHPJINPDZFV-LLVKDONJSA-N 402.347 1.338 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](N)C(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282826370 QUUYIDXRCLBXMN-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]4[C@H]3CO)cc2Cl)OC1(C)C 2282827552 ABRSOKODZVCQPF-HOSYDEDBSA-N 419.761 1.702 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H]1N 2282828050 HZXISSRAVQTSCZ-BXUZGUMPSA-N 400.737 1.607 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(O)CCCC1 2282835202 QMIQNQZAPSPQND-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CC[C@@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282847005 RTUCQOJDSKBGNJ-GFCCVEGCSA-N 403.737 1.936 30 10 HDEE CN(C)CC1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282858971 GGZBCLNPQVYVMD-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE C[C@@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282859072 HOACATNIZCCPLE-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CN(C[C@H]1CCCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282862505 DKRBXOXASQSYFL-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(CN)CC2)c1B1OC(C)(C)C(C)(C)O1 2282866825 PLIFNQDFSBKIBF-UHFFFAOYSA-N 400.375 1.681 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H]2C[C@H](N)C2)OC1(C)C 2282876069 XWHQJIZNGAOTJN-MQMHXKEQSA-N 400.375 1.594 30 10 HDEE CCN(C[C@H](C)C(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284393859 QJALCUCMINGVPZ-NSHDSACASA-N 403.331 1.779 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2284400038 QWIXHSYSBMEOTG-UHFFFAOYSA-N 403.331 1.143 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H]2CC(=O)O)OC1(C)C 2284400584 XACVNJZJGFDJQG-LLVKDONJSA-N 401.315 1.675 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365207198 MBQZTHWUURPVBU-KHYOSLBOSA-N 402.557 1.538 30 10 HDEE O=C(O)CO[C@H](C#CC1[C@H]2COC[C@H]12)c1ncc(I)s1 2367574533 WATBPNHEVJSMPK-OPRDCNLKSA-N 405.213 1.786 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792856 SCQRKICCRNLDKS-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2367818584 VULYKERQLGXZIE-HZPDHXFCSA-N 402.557 1.553 30 10 HDEE CSc1nc(O)c(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)cc1C#N 61636093 ZECPQIOHCBYHOO-UHFFFAOYSA-N 400.464 1.888 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CCCCC3)C3(CCOCC3)C2)cc1 97138190 RWTXRATZASXUNJ-LJQANCHMSA-N 417.531 1.988 30 10 HDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254509864 PRWSMYRCUIFQAY-KGLIPLIRSA-N 412.489 1.552 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2nccc(B3OC(C)(C)C(C)(C)O3)c2C#N)C1 381908257 AFNHUDICSJZFPM-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)n1cnc(C#N)n1 409623165 RNRWECSCLHSRCO-MSOLQXFVSA-N 408.510 1.167 30 10 HDEE CCOC(=O)c1csc(C2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)CC2)n1 410392647 ZQLDXWJDYJTBAP-LBPRGKRZSA-N 400.526 1.835 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 429304066 XNXQRKLZWLKFAW-JKIFEVAISA-N 402.451 1.097 30 10 HDEE COCCCS(=O)(=O)NCC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 433017258 XVODOBQCZXZADZ-UHFFFAOYSA-N 408.505 1.500 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)n1 438126748 BCFQEVYTDMFTOL-MSOLQXFVSA-N 410.522 1.966 30 10 HDEE Cc1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1S(=O)(=O)NCC#N 439867606 BNGUULBXNXQRCO-CQSZACIVSA-N 416.507 1.729 30 10 HDEE Cc1cc(N2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)n2ncnc2n1 471695351 YHLSENJKAMQKNA-GOSISDBHSA-N 400.446 1.335 30 10 HDEE CCC1(CC)NC(=O)N(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1=O 479306617 KNXJGBVQFKSXTB-UHFFFAOYSA-N 411.506 1.772 30 10 HDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cc(C#N)cs2)c1=O 481039272 PMLABRTZSKAICY-UHFFFAOYSA-N 415.540 1.346 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482366573 ULCLSRKTHPVYAH-GXTWGEPZSA-N 403.508 1.323 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C)CC1 483135104 KIMIMMQZNQIRBI-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 484920305 QWUGXCOUIJIUQD-KUHUBIRLSA-N 415.471 1.531 30 10 HDEE CC1(C)C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)(C)O1 487993673 NSZZKKCYGIMERH-QGZVFWFLSA-N 420.535 1.920 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 539351229 NDCIAZSIJPIMLU-UHFFFAOYSA-N 403.508 1.592 30 10 HDEE COC(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C(=O)OC 546223412 WUEWKONUTIHVPT-UHFFFAOYSA-N 423.429 1.881 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC)CC1 555060180 VTUGGPZSGLKNII-SFHVURJKSA-N 412.494 1.235 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCCN(S(=O)(=O)C3CC3)CC2)c(OC)c1 555066687 TUDFGNWIDAYCCP-GOSISDBHSA-N 424.563 1.663 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2nc(C)no2)CC1 565375177 AOZZXEUNCQDHEG-UHFFFAOYSA-N 411.514 1.729 30 10 HDEE C=CCCCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 569856833 KGDFZSGUHSQCBK-INIZCTEOSA-N 407.536 1.806 30 10 HDEE C=CCN(CC=C)C(=S)NCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 586412057 CZPGCERBXPMLOP-UHFFFAOYSA-N 414.531 1.728 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)CC1 604183774 USFMNUVDMMMWEE-UHFFFAOYSA-N 414.485 1.449 30 10 HDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606063055 ZYNHMWXHIFSADJ-HXUWFJFHSA-N 404.470 1.937 30 10 HDEE CN1C(=O)C[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(F)c1 611104097 NLJUMRBSVFMRKO-ZFWWWQNUSA-N 405.817 1.132 30 10 HDEE C[C@H](NC1CCN(CC#N)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 619534648 UQDALTWVVQZAKV-NSHDSACASA-N 401.330 1.735 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1cc(O)cc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 619545924 NKUFDVBYYVCOSQ-HXUWFJFHSA-N 416.455 1.876 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccc(C#CCO)s1 703983713 NTKGBFKBWIAVLX-UHFFFAOYSA-N 418.496 1.198 30 10 HDEE C#CCN(C(=O)/C=C\c1ccc(I)o1)[C@H]1CCS(=O)(=O)C1 729331562 QKEMKYUEKNODNT-QZPNVGJNSA-N 419.240 1.546 30 10 HDEE CSC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732649047 OAQCUVODNOQSQS-WCXIOVBPSA-N 404.536 1.092 30 10 HDEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664612 RZZGJVBSNRKMKN-MOPGFXCFSA-N 401.486 1.992 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 732947955 VZCFYPMTAZIUOC-UHFFFAOYSA-N 422.507 1.618 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(C(=O)N2CCCC2)CC1 734291076 FMELNBGBSJYITG-UHFFFAOYSA-N 404.492 1.599 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC)c2=O)cn1 735067986 BVYIBLQPHBVESO-UHFFFAOYSA-N 422.510 1.931 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295477 YMAPDGUYIICVJR-UHFFFAOYSA-N 423.450 1.248 30 10 HDEE CN1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCC1=O 738907023 TUETTWAELOINPR-VDVBZYJVSA-N 407.496 1.242 30 10 HDEE CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 743908319 BTZITGRQWTWEHD-GOSISDBHSA-N 412.490 1.708 30 10 HDEE CC(C)(C)NC(=O)CN1CCC(CNc2ccc(S(N)(=O)=O)cc2C#N)CC1 751112274 GKDALOVFVMPGSU-UHFFFAOYSA-N 407.540 1.244 30 10 HDEE CCc1c(C(=O)O[C@H](C)C#CCN(CC)CC)cnc2c1c(=O)n(C)c(=O)n2C 754555272 WDGDTPDRFFWSEF-CQSZACIVSA-N 400.479 1.085 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761679816 HRMUZWONOIFYHV-PMACEKPBSA-N 413.522 1.584 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cccnn2)C1=O 766421496 WXICBEGTIPXJHP-QGZVFWFLSA-N 412.519 1.676 30 10 HDEE C#CCN(C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1CCS(=O)(=O)C1 767322798 MWNLNYPACDZFNF-INIZCTEOSA-N 402.472 1.183 30 10 HDEE C[C@H](CC(=O)NCCC[C@@H]1CCCC[C@@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 771061972 BOQQWYMVQQFSRU-VYDXJSESSA-N 407.536 1.951 30 10 HDEE C=CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 772715781 RWSMWZLJOKSCBG-UHFFFAOYSA-N 406.913 1.373 30 10 HDEE C#CCN(C(=O)N[C@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774169473 BQCHOERWWBOOJG-ZWKOTPCHSA-N 403.504 1.182 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)CCN1C1CC1 774243192 SKVYCQGXDRKJLM-CFJPQMKISA-N 414.409 1.451 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)c3ccco3)CC2)n1 788851782 BIUDQZZVPXTQDO-UHFFFAOYSA-N 413.478 1.572 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)ccc1F 794315829 ZKRIIVOUQKKTQZ-LJQANCHMSA-N 412.483 1.700 30 10 HDEE C[C@H](C(=O)OCC(=O)N1CCN(c2cccc(Cl)c2)CC1)n1cnc(C#N)n1 798741667 VTNCFHBWHZZAAH-CYBMUJFWSA-N 402.842 1.256 30 10 HDEE COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802360284 VDBABGRDSVVHGD-KRWDZBQOSA-N 410.478 1.539 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCO[C@H](C(F)F)C3)ccc21 802585203 WGESSNCGUBAXOP-INIZCTEOSA-N 420.416 1.701 30 10 HDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1 805044037 DEWZUJCFDIQVTH-UHFFFAOYSA-N 423.516 1.734 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(O)c(S(=O)(=O)NC)c3)cc2C1=O 807384341 GLMITMHPCDFMNM-UHFFFAOYSA-N 415.427 1.335 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1Cc1nc2ccccc2c(=O)n1CC#N 836492300 HADMYHCKLWWOTL-CYBMUJFWSA-N 409.471 1.519 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1C#N 849494033 OWVOYYLARNCHIX-WMZOPIPTSA-N 412.542 1.619 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)n1 856586316 FWNYMJKAPUBZFL-SFHVURJKSA-N 406.464 1.271 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cc1 916778280 WJZZLHKWXNVWIG-UHFFFAOYSA-N 423.472 1.196 30 10 HDEE CCc1cccc(CC)c1NC(=O)[C@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O 916903086 KNQKFRQLVVPKEA-OAHLLOKOSA-N 406.446 1.602 30 10 HDEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CC(=O)NC1CC1 917699233 GLJUOUYUBYWGEV-MRXNPFEDSA-N 411.487 1.437 30 10 HDEE C=CCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1125953146 AEFVMUOCVZLTMQ-QLFBSQMISA-N 404.504 1.783 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN4C(=O)OCC[C@@H]4C3)CC2=O)cc1Cl 1127265926 RAMMDDRNZMTUJK-UKRRQHHQSA-N 402.838 1.618 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccnn1C 1127757422 RPZKCYKWROCNDV-QGTPRVQTSA-N 401.854 1.743 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 1137629161 ZLKMTXQUMFDXBA-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE C=C(C)CCNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1141204188 PYZQALZMBIEPSY-CYBMUJFWSA-N 421.441 1.700 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)ccc1F 1158621689 NJHOOIRGLJFQLM-AWEZNQCLSA-N 413.471 1.593 30 10 HDEE N#Cc1ccc(CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 1166517884 IFLNLEKJOMXFQC-UHFFFAOYSA-N 414.487 1.015 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 1167536075 WVEZIROIBUYFCH-UHFFFAOYSA-N 414.506 1.739 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)C(=O)/C=C\c2ccc(F)cc2)cn1 1177713069 NXKJCZXRJUNWAW-AFCDSYGPSA-N 405.451 1.530 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)NC[C@@H]2CCCN(CC#N)C2)nn1 1182822716 LNQFLOQTILSMRD-HNNXBMFYSA-N 405.503 1.158 30 10 HDEE N#Cc1cc(Br)cnc1NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 1184905998 UPOYQFQGYKFPOS-UHFFFAOYSA-N 414.263 1.900 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)nn1 1201367844 BTHIBAODDCLKKF-UHFFFAOYSA-N 400.439 1.023 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)CCOCC1 1220825208 YOOSIUDWHYPOMS-UHFFFAOYSA-N 407.536 1.886 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1nn(C)cc1I 1246899484 QKIUPKBRLLCFFF-GWCFXTLKSA-N 404.252 1.805 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 1248677185 WULAETYEFYFICN-SFHVURJKSA-N 414.506 1.269 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286386388 ZGZZXXQPDBUMLV-KBPBESRZSA-N 422.473 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCCC 1286423341 RUBUMALMNQIXQW-OAQYLSRUSA-N 401.511 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)NCCC)CC1 1286494040 RANOPBBZAQWVSH-UHFFFAOYSA-N 402.543 1.359 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C(C)(C)C 1286565229 ZIVCEUWFMRGFOU-YFHUEUNASA-N 406.527 1.917 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)CC1 1286665298 ZEJUKLFRBPIJHC-UHFFFAOYSA-N 421.571 1.481 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1286816101 IGBWVYJJQLDDME-KRWDZBQOSA-N 417.491 1.283 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1c(Cl)cccc1Cl 1292882181 YQKMCAZYQHHZCY-NSHDSACASA-N 415.258 1.543 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1297323836 VVCUPLAHOHCGFV-OAHLLOKOSA-N 404.858 1.532 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1297513104 XILRXJSHYQODNE-UHFFFAOYSA-N 407.482 1.734 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1297798203 BLGOGBCOBGJNFV-GOSISDBHSA-N 408.520 1.733 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(COCCO)cc1 1299710795 JFQRZPPSHYMTKC-UHFFFAOYSA-N 417.487 1.653 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3sccc3S(N)(=O)=O)CC2)c1 1300156400 BKXGGMUNYUSGBG-UHFFFAOYSA-N 404.517 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCS1 1300520989 QZCQEAXECQPLKA-GOSISDBHSA-N 404.503 1.889 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1300638851 ZUNXKXFMLIGQRG-OAHLLOKOSA-N 406.483 1.890 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](F)COC)CC1 1300710299 ZQFPPHZXYFZFBX-QGZVFWFLSA-N 405.449 1.736 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301197614 VZOVCLZBUNGTLM-HUUCEWRRSA-N 407.544 1.582 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301236181 AJSVRMADQURNQF-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1 1302921711 QGNHZYFMWNMSAC-UHFFFAOYSA-N 421.450 1.223 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1303310063 LDUHJUWSZZWKGS-QGZVFWFLSA-N 400.385 1.686 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1N 1309570303 ATKSEESERZRYIW-UHFFFAOYSA-N 403.464 1.539 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312470926 QFICGBCREMUHNJ-LZWOXQAQSA-N 404.471 1.262 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1314390097 ITHWSIQYKBSAFP-LSDHHAIUSA-N 416.448 1.959 30 10 HDEE CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1347705973 PJNDEIMMERPEEC-LVHCJKAXSA-N 414.491 1.910 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1358926082 BWXHIKWDWVOIOH-UHFFFAOYSA-N 418.505 1.518 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1358970161 HMXXRYISPOSYLW-HSZRJFAPSA-N 423.517 1.447 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1359097587 QSFJOJCWFCTQMP-INMHGKMJSA-N 401.515 1.478 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359132894 HSQWDCRZTBSROW-HNNXBMFYSA-N 400.483 1.031 30 10 HDEE NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)NCC#Cc1ccccc1 1440816463 HFRJMFAXOJBCBY-NRFANRHFSA-N 405.498 1.928 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1449691520 FUDMMKHCVUPWRX-HRAATJIYSA-N 417.462 1.476 30 10 HDEE COC1(OC)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H]1O 1452109163 BREJPERAYDWZRF-BBRMVZONSA-N 407.854 1.147 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2CN(Cc3ccccc3)CCC2(F)F)c(=O)nc1O 1453839855 DGXLERCEAYCUBV-MRXNPFEDSA-N 417.416 1.094 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(O)(CN3CCCCC3)CC2)c1 1457077439 CCVQOTOUJCSZEX-UHFFFAOYSA-N 423.510 1.576 30 10 HDEE COc1ccc([C@H](NC(C)C)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1457740652 AUZDXHAYWRDQIO-FQEVSTJZSA-N 410.522 1.997 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)[C@]2(C#N)CCCOC2)cc1 1459928280 GEHDBTVMEZFNPZ-XOBRGWDASA-N 403.435 1.253 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@H]2CCOC2)CC1 1460859053 OCIZAHSCPCXXSY-CEXWTWQISA-N 418.563 1.584 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1462090486 AVMLDSNZCIMSQJ-IRXDYDNUSA-N 423.517 1.954 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)COc1ccc(C#N)c(Br)c1 1462923493 ARJBJTDZLIQCOX-UHFFFAOYSA-N 404.286 1.144 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCC1(OCCO)CCOCC1 1463578263 IBQRCLMGYJDVKV-UHFFFAOYSA-N 419.297 1.157 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1463793896 HXUJTJUNBUPQLI-SJORKVTESA-N 406.458 1.420 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 1464715651 ARFKVIMWGJKRJQ-IBGZPJMESA-N 419.547 1.156 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1470231536 SNUVTRRQYFRMCK-SFHVURJKSA-N 403.438 1.875 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nn1 1470583972 WBVSRXCZYHJIOV-UHFFFAOYSA-N 405.440 1.101 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 1470758519 OPYWBUZLZCSLNJ-OAHLLOKOSA-N 401.463 1.787 30 10 HDEE CN(C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1O 1471920826 QLEGWFXAQBRFOB-KURKYZTESA-N 401.463 1.611 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)nn1 1478855562 QYHNKNKXAZWWBO-KRWDZBQOSA-N 404.496 1.580 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)O2)CO1 1479361596 ODDSSDXHBJCMJV-AXHMDWHKSA-N 400.483 1.295 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1479500310 VOGBFMMSPVJBAZ-OAHLLOKOSA-N 422.526 1.319 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1502688064 HJPJOCADUHSGOA-FFZOFVMBSA-N 405.499 1.476 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1503810317 FERHTCZPLRWUBV-VFNWGFHPSA-N 410.478 1.337 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1504964337 HMBZYUVOZRKASN-IFXJQAMLSA-N 410.494 1.749 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507590623 DBDHPFOMPZOKAY-IIBYNOLFSA-N 414.510 1.748 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1507720740 FNBXOOXMPCHMFX-HXUWFJFHSA-N 401.603 1.430 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)NCC)CC1 1507751191 DRXUKRVCTYFDEQ-UHFFFAOYSA-N 413.551 1.866 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCS(=O)(=O)N(C)C 1507998018 AWOANAHKFKCDAH-UHFFFAOYSA-N 402.524 1.796 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnnn1C 1508037330 AZOVSMUJEAVWOY-SFHVURJKSA-N 411.466 1.606 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1508103687 HUIUCGKMNPJMTM-IAGOWNOFSA-N 400.479 1.814 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(C)C)CC1 1508142642 UHINZHXNTINTKZ-MRXNPFEDSA-N 411.572 1.350 30 10 HDEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1516545464 YAKUCYOPFFYUFX-PCYKQNFTSA-N 413.482 1.471 30 10 HDEE CN(C)[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1516987252 HFDHUPOWVYKFCC-RBUKOAKNSA-N 421.546 1.393 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CCO1 1517533602 FBHGMYASVLRXMY-MSOLQXFVSA-N 408.462 1.113 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ncc3cccnc32)c1 1526860201 PXYBAAHOUFPNRB-UHFFFAOYSA-N 403.442 1.305 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1 1529258394 LFTJDIBJMIMLEC-HKUYNNGSSA-N 408.520 1.997 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)C1CCOCC1 1533501555 XTYYGSPALLDYFN-GOSISDBHSA-N 408.520 1.884 30 10 HDEE CC(=O)N1CC[C@H](CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1535463737 CATGKJJUGROIRN-GDBMZVCRSA-N 402.882 1.891 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539211673 NDDXPMVETJSGAD-IAGOWNOFSA-N 415.519 1.255 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(n1)CCCC2 1539230194 COHVTJUVIAAKAJ-UHFFFAOYSA-N 402.502 1.909 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccccc1F 1539239678 ONDNYEPKZJSZNM-INIZCTEOSA-N 417.510 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1COCCO1 1539326284 UDELXSFZYJZBBV-PXNSSMCTSA-N 408.458 1.669 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1539396858 SBZNOIGYSVICKB-PKOBYXMFSA-N 424.505 1.993 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C1CC1 1539405752 KQSMLYRDLOUTMX-UHFFFAOYSA-N 411.462 1.286 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCSCC(C)C)CC1 1539460083 VLZPHSOWHQFXJM-UHFFFAOYSA-N 418.611 1.935 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CC2)CC1 1539481935 PZAVIDKKTHWEAT-INIZCTEOSA-N 403.552 1.643 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539637330 PJBWWIZGKXCPIW-FIKGOQFSSA-N 410.522 1.912 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN(C)C)C1 1540881928 XDJOWVCLXSDIIU-QGZVFWFLSA-N 404.559 1.883 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCOCC2)C1 1540890411 DUILDZHWMHJMIS-GBESFXJTSA-N 405.543 1.532 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1541988950 CPSSMDYHAOFZJF-UWJYYQICSA-N 416.526 1.899 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)[C@]3(C#N)CCCOC3)CC2)cc1OC 1543340152 OUXNBWNEXJLOCU-NRFANRHFSA-N 401.463 1.745 30 10 HDEE CC[C@@]1(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1546082846 DRWOHFHVFQYODH-UGSOOPFHSA-N 422.511 1.407 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1547311750 HHPHBDGLMOFPGC-CRAIPNDOSA-N 412.494 1.535 30 10 HDEE CN(C)C(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1552656595 HHZHXUDAEYZAKZ-SFHVURJKSA-N 423.521 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1556131859 YBWVSRNZHWREFA-UHFFFAOYSA-N 424.461 1.845 30 10 HDEE Cc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)n1-c1ccc(C#N)cc1 1557600027 HWFWCDLQFMDJET-UHFFFAOYSA-N 402.414 1.530 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1558231779 ZOEIXSHXHLMVSJ-SJORKVTESA-N 419.352 1.801 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1 1558491246 KSJFGAXRKWOFMR-RVWIWJKTSA-N 400.500 1.973 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2cc(C)c(N(C)C)cc2C#N)CC1 1562904611 CLGZUSPBATUZDQ-UHFFFAOYSA-N 400.483 1.135 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1ccc(Br)cc1 1569674178 WUFTXWFNENZXFJ-AWEZNQCLSA-N 409.261 1.906 30 10 HDEE Cc1ccc(C(=O)Nc2cnn([C@H]3CCCCO3)c2)cc1S(=O)(=O)NCC#N 1585850447 GJQGGMWPAZDFQT-QGZVFWFLSA-N 403.464 1.945 30 10 HDEE C=CCc1cc(C(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)cc(OC)c1OC 1587429938 ZRWRRJNWRZZQQA-INIZCTEOSA-N 408.462 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1587652376 YEIUZZCCQPULAP-INIZCTEOSA-N 424.530 1.612 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCC2 1587668179 USNQGYVJADWBNN-CYBMUJFWSA-N 410.507 1.314 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588049235 CPKKOKOBYOQEFK-JKSUJKDBSA-N 421.567 1.538 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588058959 GGGJGTKGBNKWRF-KURKYZTESA-N 408.568 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1588170579 JFNVFWGPGPTRGQ-KRWDZBQOSA-N 424.509 1.715 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CCC)CC1 1588806221 JVSFMVXFKUYVRC-RBUKOAKNSA-N 413.570 1.249 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1589097019 KUGJSXFGLXNBMR-UHFFFAOYSA-N 419.576 1.592 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1594615934 MHFCLUSENIEPCV-CABCVRRESA-N 410.544 1.104 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccn(C)n2)C1 1595754886 QYZQLZJIGGIXDZ-JQHSSLGASA-N 402.499 1.565 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC1 1596172844 YCMCEKBHCXJZNO-UHFFFAOYSA-N 414.535 1.601 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(O)c2ccccc12 1596470606 WFISUUAJCOGYKF-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE CC(C)NC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1596813273 HECPNHKCABQTPO-CQSZACIVSA-N 422.493 1.312 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1C 1611156586 AAOXIWYNEYGZBJ-CHWSQXEVSA-N 417.491 1.650 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCn1nc2n(c1=O)CCCC2 1626008769 JECITHGUFRIVTB-HNNXBMFYSA-N 420.514 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(NS(C)(=O)=O)CC1 1629482524 VTYJACTVIGPRPG-AWEZNQCLSA-N 402.517 1.114 30 10 HDEE N#Cc1c(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)[nH]c2ccccc12 1629505326 OXCUZDLONFNPPK-UHFFFAOYSA-N 416.503 1.743 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C#Cc4cccs4)CC3)C2=O)n(C)n1 1632750968 PAQYCRHSKNRRET-SFHVURJKSA-N 411.531 1.481 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1632880011 BXJFXNFNEZCMCM-CCEZHUSRSA-N 410.446 1.368 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(CNC(=O)c3cnn(C)c3)CC2)cc1 1635494640 MGVQKTPBBVLCCZ-UHFFFAOYSA-N 409.490 1.784 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(=O)OC 1635630649 OQHFGIFCHWFLSB-ZDUSSCGKSA-N 411.411 1.420 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CN(C)CCO1 1635760244 FAHOKXBIABQMPC-SQDOKRSFSA-N 406.527 1.609 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC3(c4c(F)cccc4F)CCC3)C2)c(=O)nc1O 1636192299 BHBLUMZMRPUXDE-UHFFFAOYSA-N 415.400 1.787 30 10 HDEE C#CCN(C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638331525 XJTCPVSXSLBCRJ-GJZGRUSLSA-N 400.541 1.917 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)nn1 1638482632 PNHURMARAXCMOI-UZLBHIALSA-N 418.498 1.787 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(OCC)cc2)cc1 1638720369 VXOQSEYUGOBUNK-UHFFFAOYSA-N 402.472 1.692 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C1 1639265066 BJHAITXNPAGMEM-INIZCTEOSA-N 404.430 1.257 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1639962935 RQXCNZPTERRVGD-FQEVSTJZSA-N 418.453 1.122 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)[nH]2)CC1 1640967316 BQBBZJQBRMFEFW-INIZCTEOSA-N 401.467 1.570 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 1641463415 HPJYFHSHEPNZIL-KBXCAEBGSA-N 415.519 1.611 30 10 HDEE COCCN(Cc1cncc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1642222395 CVLAFAYTWOAAMZ-UHFFFAOYSA-N 406.446 1.499 30 10 HDEE C#CCN(CC(=O)N1CC[C@H](C(=O)OC)C[C@H]1[C@@H]1CCCO1)C(=O)OC(C)(C)C 1645150932 HDUQAHRWNKQZOJ-ULQDDVLXSA-N 408.495 1.816 30 10 HDEE COCC(=O)N1CCCc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc21 1647940972 VABTWQZYNMZSBC-MRCUWXFGSA-N 412.446 1.467 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN[C@H](c2ccc(F)cc2)C1)c1cc[nH]n1 1651360551 BYPIVNIPQUXHDW-INIZCTEOSA-N 403.414 1.006 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1ccc(N2CCOCC2)cc1 1653169860 DBJORSIJJQAIGZ-UHFFFAOYSA-N 411.510 1.593 30 10 HDEE CO[C@H]1CC[C@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1654499165 RFHWMUZCPYZPIL-HOTGVXAUSA-N 413.478 1.954 30 10 HDEE CC(C)[C@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 1658500882 VEQAPACSYVKAJG-IBGZPJMESA-N 411.466 1.777 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCCN2CCCOCC2)cc1Br 1663472584 GRYIPDXMALJLCA-UHFFFAOYSA-N 406.277 1.460 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1663904364 KFAOGLPJLLSOMU-JTQLQIEISA-N 405.274 1.106 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)C1 1665457562 WFEDBXJAHCIUQG-CYBMUJFWSA-N 401.315 1.975 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3c(cc2Br)OCCO3)C1 1665457619 YBNANVHJNLQZOF-LBPRGKRZSA-N 415.309 1.596 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 1670589815 ZOWGDZXDULCYMT-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CCO2)cc1 1670984451 NOBQYHLGQMHXPQ-BJLQDIEVSA-N 419.503 1.377 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1672184855 BVBZSBVZMHPNEE-UHFFFAOYSA-N 408.466 1.128 30 10 HDEE C#CCSCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1678995112 HXBCJWGMPYNPPY-UHFFFAOYSA-N 411.549 1.758 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@]1(O)CCOC1 1680024190 BYDVPJXOZGAUAD-LAUBAEHRSA-N 400.479 1.530 30 10 HDEE COCCCOc1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1680902897 UDVQDYSINFQJTH-QFBILLFUSA-N 407.492 1.182 30 10 HDEE CC(C)[C@@H]1CCc2nc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)sc2C1 1681050593 CLEJMKHHFJTCHX-LLVKDONJSA-N 402.480 1.860 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1683074535 TXKZISXMSXURPQ-KBPBESRZSA-N 411.243 1.886 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)s1 1683457164 MSAPJBOSRFZCJW-UHFFFAOYSA-N 419.532 1.482 30 10 HDEE CCN(CC)CC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1 1684760818 VBXJTOYEHOHDLX-GOSISDBHSA-N 412.494 1.593 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992642 NOYVVDAPIXSWRV-DLBZAZTESA-N 421.592 1.832 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)CC1 1690411693 RXFYCACXIORULG-OAHLLOKOSA-N 421.523 1.765 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690464555 FGAMMYBYEQBMCO-GJZGRUSLSA-N 416.569 1.160 30 10 HDEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C)C1CC1 1690545281 NDVZPSCQSRUIBE-MJGOQNOKSA-N 416.570 1.880 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(N(CC)CC)CC1 1690655280 NFYGAVLTKVSFIE-UHFFFAOYSA-N 417.558 1.127 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690667019 OBNQBPURIFMNJR-DLBZAZTESA-N 412.469 1.634 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C1=O 1696874676 ODHNSOCNTDQYGB-JOCHJYFZSA-N 419.489 1.947 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705476663 CQJIZFOYJZIGRG-GMHRPJKWSA-N 409.556 1.287 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1705523171 SRYCLUGNWQJWCH-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1705572178 SUASAMUNXZQPSJ-UHFFFAOYSA-N 418.545 1.588 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCN2CCCC2)CC1 1705640856 IKOGHEKKNGTVHY-UHFFFAOYSA-N 413.595 1.875 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(N)=O)CC1 1705693306 DYLKTBKSXMCVRW-SJLPKXTDSA-N 418.542 1.489 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705735250 MGTZQFHAYDFDTH-OAQYLSRUSA-N 416.526 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCC(=O)NC 1705895685 PCXDIJVAYJZTHF-UHFFFAOYSA-N 422.493 1.210 30 10 HDEE CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ccc(C#N)o1 1706312831 WCLYWYCKXKVDOA-SFHVURJKSA-N 411.510 1.657 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCCCC1=O 1706611062 CVKBUTZJZUARKO-OAQYLSRUSA-N 415.542 1.949 30 10 HDEE CN(CC1CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1711138682 ACNHOJPOFILETP-HTXNQAPBSA-N 410.482 1.441 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1712098258 HKDZBHGZXPGWSL-CKEIUWERSA-N 416.482 1.653 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1712639815 LMBGRNXKEXUJOC-DHSIGJKJSA-N 423.880 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cncn1 1722424042 ZDFKAAAOELOEAN-UHFFFAOYSA-N 409.450 1.094 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCNC(=O)c2occc2C)CC1 1722443975 RQISDNBSFADHCJ-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1722466684 CFGLPALKJUHNMJ-XJKCOSOUSA-N 417.482 1.305 30 10 HDEE Cc1noc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1726430717 HDQHKUCZPWAFMN-CYBMUJFWSA-N 421.527 1.672 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1730483802 GLNIMESIKYLMIG-BRWVUGGUSA-N 417.441 1.161 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@@H]2COCCO2)c1 1731178610 CMUVGWVUWQALJN-LJQANCHMSA-N 424.505 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1740545804 QCGAUQCXKFFZDZ-HNNXBMFYSA-N 414.491 1.511 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1740600617 MJCNDQLBLMJHMY-HNNXBMFYSA-N 405.524 1.517 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1740640822 XHYSJOHVKLZGTJ-IBGZPJMESA-N 417.579 1.375 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1741129876 RJRMHSNNKWCSOA-DOTOQJQBSA-N 408.514 1.677 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1741801637 BZFNRESJRZFMRX-CLCXKQKWSA-N 409.556 1.860 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCCC1 1742835082 BYZTZEWKHXPFMB-IAGOWNOFSA-N 409.542 1.695 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)C 1748668338 JDQRJMNPVKGQFQ-HNNXBMFYSA-N 418.542 1.939 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1748670873 DEDFHRQOGXWNNU-RDJZCZTQSA-N 402.520 1.889 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1748826256 PUVHWUFCNHKZFD-QZTJIDSGSA-N 420.583 1.083 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1749409539 WDCDZJCJFPRLFN-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C1 1749713821 ZAZJXSVGHZLYCF-RHSMWYFYSA-N 421.498 1.544 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760186156 AZSSANPTXOXOMG-KSZLIROESA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1760204378 NQOGCLREJGCRHW-PMACEKPBSA-N 406.534 1.836 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CC=CCO2)CC1 1760268341 QELWBYHGTPFDGN-LJQANCHMSA-N 406.490 1.651 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760283087 AVENHFKBGNNEJN-SFHVURJKSA-N 410.547 1.644 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1760287255 LQSCPKAUEUTUII-QZTJIDSGSA-N 405.568 1.797 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760356587 RHCGKGOPRGYMGK-GOSISDBHSA-N 402.543 1.491 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1760412904 UIKVMYYEYWCRDN-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccco1 1760522536 VVCHFDSRTQSYST-UONOGXRCSA-N 407.496 1.273 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1760696496 QZMDKOBXKQMXKF-WBVHZDCISA-N 412.494 1.904 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1764920071 UPMORHJXJCZRGP-ROUUACIJSA-N 411.510 1.485 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N(C)C1CC1 1766335555 GJGXGZABCCKOJY-CQSZACIVSA-N 411.510 1.832 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@H]1C 1766986689 HMNYVXZRHUHPRG-CVEARBPZSA-N 405.510 1.912 30 10 HDEE Cn1nncc1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1767534965 BMGRYQOULPSMHR-UHFFFAOYSA-N 406.498 1.346 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1768424423 PNABMVBOWHQUEA-DLBZAZTESA-N 416.526 1.549 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1769365840 GPOMCWYTFVRPGZ-UHFFFAOYSA-N 416.507 1.125 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1772516201 VNOOVHFWGNFGOE-LEWJYISDSA-N 419.485 1.732 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 1851048871 GHLHANFXMQUYGD-HIFRSBDPSA-N 417.409 1.609 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(c2ccccc2)C1)c1snc(N2CCOCC2)c1C#N 1852379634 ADFGCCJRCDBTDA-AWEZNQCLSA-N 411.487 1.867 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1852452167 ROGPYPHNKULDNW-CQSZACIVSA-N 413.482 1.588 30 10 HDEE C[C@@H](OC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCC#CCN1CCOCC1 1853187138 PZECENKTARRICT-QGZVFWFLSA-N 409.527 1.243 30 10 HDEE Cc1ccc(S(=O)(=O)N=C(NOCC2OCCO2)c2ccc(C)n2C)c(C)c1 1853422549 FHWDVDXPKSKOQV-UHFFFAOYSA-N 407.492 1.980 30 10 HDEE COc1ccc2nc(N3CCN([C@@H]4CCCN(C(=O)CC#N)C4=O)CC3)sc2c1 1854679778 FCZBKFQZOOBLHH-MRXNPFEDSA-N 413.503 1.858 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854837065 DMNCAOGFTQGBAW-UWJYYQICSA-N 400.454 1.582 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855997012 JHQXGERTSJXWIY-DLBZAZTESA-N 416.547 1.855 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cn3cccn3)C(=O)C23CCCC3)cc1 1856609164 NQIYIMJUUSDRRW-UHFFFAOYSA-N 405.458 1.621 30 10 HDEE COCCN1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856830109 SBYNLXQLFRPZCR-MRXNPFEDSA-N 404.898 1.411 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)C[C@H]4CCCO4)C3=O)CC2)c1 1857020662 WKLSYNNVKFMIDO-RTBURBONSA-N 412.490 1.741 30 10 HDEE CCOCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC4(CC3)C[C@@H]4C#N)ccc21 1857220782 XKGWPTACSNDBGK-OAHLLOKOSA-N 417.487 1.453 30 10 HDEE CCC[C@@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387428 MOCWERYLWSKOIZ-GDBMZVCRSA-N 402.474 1.372 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858314015 GQXFABLPOPEBEL-OAHLLOKOSA-N 421.500 1.308 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccc(F)cc3)c(=O)cc2O)c1C#N 1859647927 QWLGWTFQLITQOC-UHFFFAOYSA-N 412.333 1.889 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1C(=O)O)c1ccc([N+](=O)[O-])cc1 1862757592 JUXHVJPYZLXLGN-MRXNPFEDSA-N 412.354 1.864 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCOC)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711118 AXCOGZCMBGODPV-UHFFFAOYSA-N 412.494 1.857 30 10 HDEE C=CCn1c(C(=O)NCc2ccccn2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873595098 OPZLZLPFWJTAFD-UHFFFAOYSA-N 419.489 1.644 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2nccc(N3CCOCC3)n2)CC1 1891010738 QRSDJWJACUKULB-UHFFFAOYSA-N 407.478 1.321 30 10 HDEE C[C@H](ONC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985099949 SZPGENSTKZIODE-NSHDSACASA-N 408.264 1.559 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2012309169 IRXZBUUCTDBJJZ-ZLLCDCEHSA-N 422.331 1.955 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050656160 SCIBRGYPRKPUHQ-YJYMSZOUSA-N 407.467 1.965 30 10 HDEE Cc1nn(C)c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1Br 2192390166 ZIEDMHPGKHZKHL-UHFFFAOYSA-N 422.092 1.833 30 10 HDEE CC1(C)OB([C@]23C[C@@H]2CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)C3)OC1(C)C 2194158491 MOJSFKZKIMRGDO-XEZPLFJOSA-N 405.347 1.062 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)O[C@@H]2C1 2241296811 DOHOFWYVVSHYHR-RRFJBIMHSA-N 418.402 1.144 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2243424587 ULLXYPRCIQQNHP-CHWSQXEVSA-N 406.292 1.115 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247908554 WOQFPCWITASEBZ-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267712267 DAOUBNKQNHYVBA-DEOSSOPVSA-N 408.376 1.053 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267722036 SVYOBOSXFYYABU-DEOSSOPVSA-N 405.372 1.237 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CCC2(CC1)OCCO2 2282059564 KGNKCWPXNWXBKK-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE C[C@H]1CNCC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282340418 FTNPKAWSIULANM-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2CCCNC2)OC1(C)C 2282341115 NYPGHMPKGIIPDR-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343353 DPQJADAITUJELA-STQMWFEESA-N 401.359 1.829 30 10 HDEE CN([C@@H]1CCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494934 FIRALTCHAMVSDJ-CYBMUJFWSA-N 400.737 1.622 30 10 HDEE CCN(CC(N)=O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282501952 DSPVGIABBNTZHN-UHFFFAOYSA-N 402.709 1.135 30 10 HDEE CCN([C@@H]1CCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507471 IBGYASHLIHDNLB-CQSZACIVSA-N 400.375 1.561 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H](O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282832780 CJGNWEZWKZVYNN-ZDUSSCGKSA-N 401.359 1.747 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N[C@H]1CCCSCC1 2282849186 XOJYVUVANHXOLV-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CC(C)[C@@H](C)[C@@H](N)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856663 WJHYJYISAOBMKK-OCCSQVGLSA-N 402.391 1.945 30 10 HDEE CCN(CC)C(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857016 BFZZXLMVVLCMRI-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CN(C1(CO)CCCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866083 CZAYROOHBVFDNE-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE COC[C@]1(C)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284677346 PGMMCXOJSJAVAV-WBMJQRKESA-N 402.347 1.287 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CC(C(=O)N[C@H](CCS)C(=O)O)C2)CC1 2286821856 CCBUAJATYBFXIG-CQSZACIVSA-N 401.529 1.207 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)CCC[C@@H]2O)OC1(C)C 2286910417 CAVABMAZBSVATR-SUMWQHHRSA-N 401.359 1.877 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)C1=C(O)c1ccc(F)cc1 2296553748 QMSVAIGRYCDVIZ-IBGZPJMESA-N 411.433 1.975 30 10 HDEE Cc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329012642 ZNIXQIGGUZPNJF-OAHLLOKOSA-N 400.508 1.770 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]2CC[C@@H]21 2365201186 GGMXHNIKHLBWSI-GJRWTSMGSA-N 400.541 1.291 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2365211018 MEKGRICOXKZVSF-JYJNAYRXSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365242898 FLAWPBVDARMFLL-ZIAGYGMSSA-N 403.497 1.540 30 10 HDEE CC(C)(C)OC(=O)NC1(C[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367802438 AZCIHPHMHGSFOF-HNNXBMFYSA-N 400.541 1.748 30 10 HDEE CC[C@@](O)(CCNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367809393 MRJMKOYXKFTEJH-HNAYVOBHSA-N 402.557 1.601 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CCN(C)C(=O)OC(C)(C)C 2367816275 HHXYYAOTHPMFDS-HOTGVXAUSA-N 402.557 1.553 30 10 HDEE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368849824 UFZKWMCVXZFIBY-CHWSQXEVSA-N 400.375 1.840 30 10 HDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1ccccc1 7731276 AZSBQWLLRTYUGH-UHFFFAOYSA-N 415.519 1.540 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)N(C)CC(=O)N2CCOCC2)n1 10399458 YVUAIHOQGNXIEG-UHFFFAOYSA-N 416.425 1.690 30 10 HDEE C=CCNC(=O)CN1CCN(c2nc(C)nc3sc(C(=O)OC)c(C)c23)CC1 28623828 LEARBOZHWIJNOE-UHFFFAOYSA-N 403.508 1.519 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC)Cc2ccccc2)cc1 47418511 ITEGZOXVFWGTMT-UHFFFAOYSA-N 400.456 1.414 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccccc2CN2C(=O)CCC2=O)CC1 63288887 CLIYVVNBQJPBLK-UHFFFAOYSA-N 418.457 1.956 30 10 HDEE COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254851607 PWFODRFQFCSELM-HRCADAONSA-N 410.517 1.471 30 10 HDEE CCN(c1nn(-c2ccc(Br)cc2)nc1C#N)[C@H]1CCS(=O)(=O)C1 256045900 BPHXSWMKWNLFJZ-ZDUSSCGKSA-N 410.297 1.915 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@@H]1C=O 257505861 ORDKVFHKMGUXSQ-OUMAAJIKSA-N 404.459 1.609 30 10 HDEE biogenic Cn1ccnc1[C@](O)(CCNc1ccc(S(N)(=O)=O)cc1C#N)C(F)(F)F 301164881 DEOYGLNCFOEAME-CQSZACIVSA-N 403.386 1.191 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3cscn3)CC2)c1 303144727 FAYVXOPKTQGRQZ-UHFFFAOYSA-N 420.560 1.956 30 10 HDEE CNC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 435942442 OFAULSRTBCOPFW-KBXCAEBGSA-N 414.487 1.219 30 10 HDEE CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 439243358 DWSYHCKYDJEJIX-CYBMUJFWSA-N 414.443 1.838 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCOCC 460936306 XYOLOACRZNKOJA-OAHLLOKOSA-N 401.533 1.050 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C)C)c(Br)c2)C1=O 467058439 PXOOZWQDWQOBOD-UHFFFAOYSA-N 423.267 1.426 30 10 HDEE CO[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[C@@H]1C 467295919 WDLSADAMBFMYBJ-MAUKXSAKSA-N 413.478 1.812 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)c1C#N 472989364 LUZFATIJDLKNGM-UHFFFAOYSA-N 421.549 1.067 30 10 HDEE CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 473912455 STNNFRNUPFIQLC-UHFFFAOYSA-N 414.487 1.949 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OC)c3ccc(OC)c(O)c3)cc2C1=O 474579384 MXKIBGWOCSMICE-SFHVURJKSA-N 424.409 1.827 30 10 HDEE N#CC1(CS(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CCC1 477495385 ZLYORRUBNXIXBA-CQSZACIVSA-N 403.460 1.007 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Br)cc2)CC1 480926437 IXKAGWQIEREXBH-UHFFFAOYSA-N 416.341 1.199 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)Cn3ncc4ccccc4c3=O)cc2C1=O 482195710 WOTPGHKGHCSDBO-CQSZACIVSA-N 416.437 1.997 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CC(F)F)[C@@H](CC)C2)cc1 498786126 XIEXIRLKVTUKPM-HNNXBMFYSA-N 401.479 1.952 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 511908813 ZLCUAPGBSXFJHX-JTQLQIEISA-N 404.780 1.271 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 518006128 ALOQRJINGGATNS-MRXNPFEDSA-N 401.536 1.940 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccccc1 525266195 PQJFMWARNYAPRC-UHFFFAOYSA-N 407.495 1.889 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCCc3cccc4cccnc34)CC2)n1 546213140 NJXOAHCLQWQQSU-UHFFFAOYSA-N 400.486 1.982 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 549678454 VXDDKZPKGBZDMT-OAHLLOKOSA-N 416.530 1.821 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 569705433 RSZCSRZKZPKCLE-HNNXBMFYSA-N 410.540 1.986 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 569705435 RSZCSRZKZPKCLE-OAHLLOKOSA-N 410.540 1.986 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)cnc21 570441691 ZXELWWMNDUAUNM-UHFFFAOYSA-N 401.386 1.828 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSC 581517051 MERSZJMXVIDXHK-UONOGXRCSA-N 403.574 1.375 30 10 HDEE N#CCc1cccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 588139291 XCGMNIIVKNGPBT-IRXDYDNUSA-N 411.483 1.950 30 10 HDEE COc1cc(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1C#N 589625747 PUVARVMGCMCPBL-HNNXBMFYSA-N 406.508 1.570 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@@H]1CCCO1 590915893 AAXIDIAQHISEDL-JTQLQIEISA-N 409.920 1.053 30 10 HDEE N#CCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 609332665 OHHXJSGZDDKZSC-UHFFFAOYSA-N 405.455 1.672 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@H](O)CC(F)(F)C2)c(C#N)cn1CCOC 615847968 ALSSWMSROOFVQZ-GFCCVEGCSA-N 400.382 1.417 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)cc1 728829750 BFHLAKQYTYRWKB-UHFFFAOYSA-N 412.471 1.426 30 10 HDEE CN(CCOC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 731140536 UTYJKMSGMYHRSQ-UHFFFAOYSA-N 411.480 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 732251868 QWMRFJNECOLFJF-INIZCTEOSA-N 400.483 1.794 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCc1ccc(OCC(=O)NC2CC2)cc1 742395171 JRWBXBKMGKECCI-UHFFFAOYSA-N 414.487 1.518 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 744840131 NFPDIUDOLQQGFJ-AUUYWEPGSA-N 401.463 1.630 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N(CCC#N)Cc1ccccn1 755249823 UJVFXEDZQPWPCP-QGZVFWFLSA-N 415.494 1.840 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 760387658 DRBLDTVBCQUHAX-SOUVJXGZSA-N 409.508 1.470 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)c1cn(CC(=O)N(C)C)nn1 769722054 LNORJPMJTCZPSB-UHFFFAOYSA-N 408.212 1.228 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780848307 LIKZCEGSQRPXHX-LJQANCHMSA-N 415.471 1.133 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C/c2ccccc2)n2nnnc2C)n1 790109329 WLMWGPUZIGNMMM-HKWRFOASSA-N 405.462 1.485 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnnn2C)n1N=Cc1cc(OC)cc(C)n1 794834712 BVEWODPROBSDLY-CYBMUJFWSA-N 401.496 1.875 30 10 HDEE C=CCOCCOC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 797323610 LHIOVRQHVCQMIW-UHFFFAOYSA-N 412.508 1.381 30 10 HDEE C[C@@H](CC(=O)N1CC=C(c2ccnn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 803430930 QLMCWUSLMNJUBC-AWEZNQCLSA-N 413.503 1.553 30 10 HDEE N#Cc1cnn(C(=O)C2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@@H]23)c1N 810202949 BEMIIAKFSJQOPQ-WJQMWINMSA-N 413.437 1.457 30 10 HDEE COc1cc(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)ccc1C#N 810866067 RWILPRFXLJQSFN-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cn2c(O)nc3ccccc3c2=O)cc1 917038365 NAVOKDWUCDJMIL-INIZCTEOSA-N 406.398 1.136 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OCC#N)cc2)CC1 1115835444 XRIWUAJQBOXBLV-UHFFFAOYSA-N 417.491 1.968 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)CC1 1128861167 GFXPPCULAAXAMU-CYBMUJFWSA-N 405.476 1.316 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CCCN1C(=O)OC(C)(C)C 1130706749 APSGYJKPSHMTBB-NRFANRHFSA-N 406.527 1.012 30 10 HDEE O=C1C=COC2(CCN(C(=O)CN3C(=O)C(F)(F)c4cc([N+](=O)[O-])ccc43)CC2)C1 1134525671 JLNCHTVAOUXWAA-UHFFFAOYSA-N 421.356 1.898 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)c(CC)c2)CC1 1136632554 BVGQRMOYUMNTDJ-UHFFFAOYSA-N 406.324 1.909 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1138703829 ZQCMMTILCGBHLF-IRXDYDNUSA-N 402.344 1.821 30 10 HDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NCC#CCO)C[C@@H](C)O1 1139145749 OOSVDFFRYQJTJW-GASCZTMLSA-N 400.504 1.447 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 1139788904 YABFUNWEBRUWSJ-SFHVURJKSA-N 408.853 1.733 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2NC1=O 1141380640 XBGIDNQQFWSFPX-LSDHHAIUSA-N 418.450 1.185 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](O)[C@H](CO)C1 1142378722 LNUSGEOVEHJJBM-QXAKKESOSA-N 415.490 1.594 30 10 HDEE CCn1[nH]c(C)nc1=NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1144125314 NEHUIBYUQIPUOZ-UHFFFAOYSA-N 404.496 1.266 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)COc1nsnc1N1CCOCC1 1156148079 OQONEWIMJAPEHQ-UHFFFAOYSA-N 401.492 1.763 30 10 HDEE C[C@H](CC(=O)NC1(CC(N)=O)CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1158830225 MSMIDMRBHILBMI-CYBMUJFWSA-N 406.508 1.198 30 10 HDEE CN(C)CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1161848769 JPKPLNIUHVSGIO-SFHVURJKSA-N 401.492 1.041 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)CCN2CCOCC2)s1 1167523495 GIVRCWIXSSNEPT-UHFFFAOYSA-N 415.581 1.372 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OC 1171470125 NOSCBNSDHYXEAU-RYUDHWBXSA-N 403.888 1.416 30 10 HDEE C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1CNC(=O)OC(C)(C)C 1179640189 DDCPCPLDEJTGJV-KGLIPLIRSA-N 419.482 1.220 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)n1 1211730915 JWAZKSDIPKORRR-UHFFFAOYSA-N 423.466 1.208 30 10 HDEE CN(C)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1Cl 1221099970 DHWDPFOHDDCBQY-HNNXBMFYSA-N 404.858 1.076 30 10 HDEE Cn1cc(CNC(=O)NCC2(CS(C)(=O)=O)CCC2)c(-c2ccc(C#N)cc2)n1 1226081577 CEUNGGJULKRTFI-UHFFFAOYSA-N 415.519 1.973 30 10 HDEE CC[C@@H](CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)NC(=O)OC(C)(C)C 1228742138 HHQANQSECRLXAE-HNNXBMFYSA-N 419.530 1.735 30 10 HDEE N#Cc1csc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)n1 1251295926 NSKVRMNOLKSFTC-UHFFFAOYSA-N 403.489 1.301 30 10 HDEE CC[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)C1 1253392075 AXTJELHXUORBLC-IBIZNAIESA-N 406.483 1.666 30 10 HDEE Cc1c(Br)cnn1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1266190937 MRVBMMIQGQJETJ-LLVKDONJSA-N 404.272 1.353 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1276963402 SQMUDCZSZIGBKI-KNKYVABDSA-N 419.235 1.205 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286336367 JQQXQEJJWVBZPV-SFHVURJKSA-N 400.527 1.509 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286396416 UTWYSPFMPOSATN-CQSZACIVSA-N 402.467 1.802 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286416847 YYOGBNVNUACBHV-JOCHJYFZSA-N 409.490 1.591 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1286433464 UYSZHNJBPHUDFA-UHFFFAOYSA-N 405.396 1.891 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286626141 XIWKSSSJGVOQDF-LJQANCHMSA-N 415.885 1.907 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCNC(=O)C(C)C)CC1 1286644892 MNLHNVPXLMACHH-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1)C1CC1 1286737216 LIJRVQQXUHYUDB-INIZCTEOSA-N 422.511 1.111 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@H](OC)C1 1286780480 VSPIZVAWVOBJRZ-ZDUSSCGKSA-N 423.315 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)C#N 1286823886 ZRWSXWJZPDUQFZ-CYBMUJFWSA-N 408.553 1.831 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1296663063 HGRRDEWJYJPLEK-CJNGLKHVSA-N 419.404 1.585 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300492846 PCDDVLNYGIKRMR-KBPBESRZSA-N 400.451 1.206 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCSCC(F)(F)F 1300649044 KCSFYTBMTCVLOH-UHFFFAOYSA-N 419.473 1.896 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cccc(F)c2)CC1 1300681451 PYWOIWDSXJKCNT-UHFFFAOYSA-N 412.513 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)c(OC)c2)CC1 1300698669 XPXQDKKZXZCKAK-SFHVURJKSA-N 408.506 1.350 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1300711813 HTWSEICVJQYSID-QFIPXVFZSA-N 412.538 1.378 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)cc1 1300777464 XJEZBJXZQWSODY-INIZCTEOSA-N 410.492 1.334 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1301001299 GXOUSAQKYBOKKX-HXUWFJFHSA-N 407.515 1.225 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Br)cnc2C2CC2)c(=O)nc1O 1301212354 CQALPOZJIYBPNQ-UHFFFAOYSA-N 404.224 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1301587332 YPTWMFJGVLEGLM-AWEZNQCLSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCCOC2)C1 1301589504 TZDKSQZWAFSXSX-QFBILLFUSA-N 410.540 1.390 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1301596540 RJZWMDQMQGZCRL-UHFFFAOYSA-N 418.567 1.540 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCC=CO1 1302095838 XKPRKWGWDKECIM-NEWSRXKRSA-N 416.526 1.871 30 10 HDEE CC(C)c1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1302654826 MFYOXPSMENOSTL-CQSZACIVSA-N 406.512 1.680 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccncc2)CCO1 1303001503 BKGKGLVQTOLBJQ-MRXNPFEDSA-N 404.434 1.292 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 1303787160 BKOGYCGAPPIXRY-UHFFFAOYSA-N 403.298 1.640 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1303947464 QKUIQHPWMHWKKG-QFIPXVFZSA-N 405.506 1.780 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1304200083 GOOXTENDZDRTNO-UHFFFAOYSA-N 421.475 1.494 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cc(I)nn2C)c1C#N 1306285812 JHAWSTKFJVIQNP-UHFFFAOYSA-N 413.223 1.024 30 10 HDEE Cn1c(C[C@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Cc1ccc(C#N)cc1 1307279382 DGZRBYZPWSRYIP-OAHLLOKOSA-N 404.517 1.568 30 10 HDEE C[C@]1(CCc2ccccc2)NC(=O)N(NC(=O)CN2Cc3cccc(C#N)c3C2)C1=O 1307893167 OOUSZMRHRBIDPE-HSZRJFAPSA-N 417.469 1.848 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2sc3c(c2C(=O)NCCOC)CCCC3)CC1 1307961007 FNWZCOIVKADDCE-UHFFFAOYSA-N 419.547 1.402 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OCC(C)C)c2)CC1 1311675814 XIVIPCLDWBFDKW-UHFFFAOYSA-N 408.524 1.016 30 10 HDEE C#CCN(C(=O)NCCOCC(=O)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1312719539 YHSAQBIEKGNSRQ-UHFFFAOYSA-N 411.499 1.610 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1)[C@@H]1CCOC1 1314702223 VDUQRADOOYMYPI-QGZVFWFLSA-N 413.478 1.495 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CC2)nnc1N1CCC(F)(F)CC1 1316568407 WPUIFGDUUOKHOO-MSUUIHNZSA-N 406.437 1.993 30 10 HDEE CCN(CCC#N)C(=O)CN[C@H](C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1317678110 VCUSMSPZSQOMRB-WEZPBNDISA-N 402.539 1.389 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1358888803 SFMSSVJBSCAAAL-NVXWUHKLSA-N 417.535 1.520 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1358913262 JOJZCFOAKPWANE-QZTJIDSGSA-N 424.567 1.616 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1358927273 SLXGBPCTQGZHMA-MRXNPFEDSA-N 422.489 1.457 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)c1nccs1 1359018415 OQPDSCHJLGGTGD-OAHLLOKOSA-N 402.524 1.860 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCCCC2)CC1 1359047797 UDXRTEOTLKHOIP-GOSISDBHSA-N 415.538 1.791 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCC1(O)CCOCC1 1359065655 XDLRRLQPJHXSOW-FXAWDEMLSA-N 406.527 1.926 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCCS(C)(=O)=O 1359104410 AWIMTXXQEAXRQE-BRWVUGGUSA-N 412.556 1.982 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C(C)C)CC1 1359181210 KCCGFFXHUBPYCH-UHFFFAOYSA-N 402.543 1.965 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCCC1 1359238666 SKOIMCALTUCFGW-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CCC 1359295504 DKUHLVXIRCSGLB-OAHLLOKOSA-N 409.498 1.848 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)OC)CC1 1359301679 HOEBAYXQXVYBJE-UHFFFAOYSA-N 412.494 1.368 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)C)C1 1359312314 RRXAIATWBJPTQQ-INIZCTEOSA-N 404.515 1.068 30 10 HDEE CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1436269127 ATXAOKRBOMQSMH-IXDOHACOSA-N 412.446 1.611 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2C(=O)OC)C1=O 1436363899 KTFBCSOFMAZIAC-UHFFFAOYSA-N 424.207 1.151 30 10 HDEE C#Cc1cccc(CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)c1 1436733700 RYKDZUOPHSOCHQ-UHFFFAOYSA-N 411.527 1.745 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1 1445696809 YJTZFSJSWXVJKL-UHFFFAOYSA-N 404.370 1.146 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(=O)NC)c1 1449102835 AFLBZNDPAWLBFB-QGZVFWFLSA-N 403.479 1.734 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1450390873 NUGRIWHXYNHZTG-HOTGVXAUSA-N 406.487 1.521 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1457851481 KSMNZPCYZRBWRJ-QGZVFWFLSA-N 415.471 1.043 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1464602522 GXIDBODHWXBNLV-UHFFFAOYSA-N 410.345 1.353 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)ccc1O 1467898775 JQHBPXFYYGCOJZ-UHFFFAOYSA-N 400.338 1.838 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1468558748 WYTUVMMUIXGREO-HOCLYGCPSA-N 416.337 1.543 30 10 HDEE COC(=O)C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1470118918 DCIGVPQYHMHQNQ-NVXWUHKLSA-N 412.446 1.469 30 10 HDEE C=CCOc1ccc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1470123778 PXXWMOKKHIZAIZ-FQEVSTJZSA-N 402.539 1.847 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccc(Cl)cc2)c1 1471268754 HWNAHBCABADDSK-HXUWFJFHSA-N 420.918 1.975 30 10 HDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1472319713 RABRTIMLYBDQTE-MJGOQNOKSA-N 404.532 1.992 30 10 HDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCc2ccnc(C#N)c2)cc1 1475790577 BIMMFTFSTJPCAN-UHFFFAOYSA-N 409.489 1.245 30 10 HDEE Cc1nnc(N2CCN(CC(=O)N3CCCCCC3)CC2)n1Cc1ccc(C#N)o1 1492919575 SVDIEPIZXZHQGZ-UHFFFAOYSA-N 411.510 1.624 30 10 HDEE CCc1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1498668855 HIGOODIQPKSOLE-ZZEZOPTASA-N 423.477 1.102 30 10 HDEE CCCCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1500438992 YJZDRRFEJAWJHL-STGLLQLASA-N 415.498 1.382 30 10 HDEE CCN(CC)C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1501925519 HIUKGLKIOCZJHO-QGZVFWFLSA-N 420.525 1.557 30 10 HDEE CCOCc1nnc(N2CCc3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503072619 GCTZDJMAWJLMRP-QZQOTICOSA-N 422.489 1.904 30 10 HDEE CN(c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCSC1 1503437032 YVBMHBWEVKKQAD-ZACIOGPDSA-N 418.523 1.598 30 10 HDEE COCCOCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C#N)C1 1505053334 ZGQAMWBAVTYXSK-GOSISDBHSA-N 401.467 1.557 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCn2cncn2)c1 1505313675 CYMZNTKIDLXZRK-INIZCTEOSA-N 405.466 1.200 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1507528939 PPHWQSWLNZBREZ-GJZGRUSLSA-N 420.539 1.358 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1507657404 QPQKZXWSCVKDHJ-UHFFFAOYSA-N 420.521 1.034 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507755631 GPYFYQMLKYKEFF-WBVHZDCISA-N 412.519 1.565 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccccc1OC 1508087721 PLTQIDAEWMJPPX-IRXDYDNUSA-N 424.505 1.882 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)C2CC2)C1 1508127918 NLJVLQPGYAYQCC-KRWDZBQOSA-N 416.551 1.941 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1512526513 CRHPAXBFOMRIJX-PXNSSMCTSA-N 410.522 1.889 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1525110001 SXGQBVLPVVCREJ-GOSISDBHSA-N 404.488 1.151 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1527023238 AEJNRHNSQPHBSJ-UHFFFAOYSA-N 402.494 1.294 30 10 HDEE CC[C@@H](C#N)N(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1530064263 FOYZYSCQGSRGEN-SUMWQHHRSA-N 407.268 1.977 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1530726128 YZNWXWKJYVKNNM-YOEHRIQHSA-N 409.464 1.293 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](c3cccc(F)c3)OCC2(C)C)C1=O 1532752120 UGBZVKZJKCMDIH-OAHLLOKOSA-N 403.410 1.481 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O 1538982828 JUARZRSFDAXBGX-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1539072661 TXXBYAOQMVGADX-KRWDZBQOSA-N 407.540 1.042 30 10 HDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539111236 PUZFMJYWNXELBT-QGZVFWFLSA-N 410.453 1.970 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1539124806 HZMWITVBVDEFTI-NVXWUHKLSA-N 404.492 1.765 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCC[C@H]2CC)CC1 1539446785 IPEJYMOEAFONIQ-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1539514379 YQZDSVDQTKVIOB-UHFFFAOYSA-N 403.512 1.324 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1539556268 AKCUPMBBCGBGNV-CXAGYDPISA-N 406.537 1.381 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1539744804 XIWASWUPDGPDEK-FQEVSTJZSA-N 416.482 1.300 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1=O 1539964754 RPVOSRZKHVSQPN-CVEARBPZSA-N 408.296 1.872 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1540063927 GJWNDWQHGIHUCP-CQSZACIVSA-N 408.528 1.522 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1ccccc1F 1540873903 NOTDPNHJLCONPL-UHFFFAOYSA-N 414.485 1.868 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccccc2OC)CC1 1540875175 CYLZJZDDZAMZBY-UHFFFAOYSA-N 414.510 1.452 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(N(C)C)CCSC2)n1 1542633313 GUWMNAGBSZRQQN-UZLBHIALSA-N 413.551 1.815 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CCO1 1546088866 CMCKYQOLJPNZTE-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1547253381 FTRRLUAVEBMVJL-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE COC[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555352394 PEJODYYLPCTOHU-LSDHHAIUSA-N 419.507 1.556 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1555985250 LMKJGMGTNWFNBR-GUYCJALGSA-N 424.889 1.719 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cn2c(-c3ccccc3)nc3ccccc32)CC1 1556504007 HLSJUFFIGXURDC-UHFFFAOYSA-N 415.497 1.597 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1558316143 GTSCNIGRGQPIIW-OAHLLOKOSA-N 414.911 1.023 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1558697713 DNJYXFFWXSQAJG-OLZOCXBDSA-N 411.890 1.913 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)c1 1566230906 PVGTUHZJUPTUFQ-UHFFFAOYSA-N 407.536 1.966 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OCC[C@H]4C3)C2)C1 1566429785 SSFXUBITTVFULT-AQZMIJIOSA-N 418.494 1.826 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1 1587650544 CQNRNUHUCUYPMO-KRWDZBQOSA-N 411.506 1.584 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1587860991 DUIJGBMSGLJNIL-QGZVFWFLSA-N 419.507 1.189 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1587909584 NYPHIYYYZWHDII-CQSZACIVSA-N 409.487 1.518 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1588161971 DOKHYESINLRFDU-OAQYLSRUSA-N 413.909 1.650 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1588482279 PLSBKQDBCMZUON-MRXNPFEDSA-N 408.441 1.185 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1588984486 HYANTGDVUKNEEF-CHWSQXEVSA-N 421.539 1.736 30 10 HDEE CC(C)(O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1594547402 SRZWJUKKFVDLIO-OAHLLOKOSA-N 407.536 1.905 30 10 HDEE C[C@@H](CC(=O)NCc1nc2cnccc2s1)/N=C1/NS(=O)(=O)c2ccccc21 1595468994 PZCPOWPAJYVUPW-NSHDSACASA-N 415.500 1.825 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1596814621 XZWOFULFNSRDPA-CYBMUJFWSA-N 415.454 1.444 30 10 HDEE CC[C@H](C)c1nnc(N2CCNC(=O)[C@@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1613341677 AWULHKZZENOTNT-LMPADWOJSA-N 415.498 1.033 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1618208873 IKQMUPSTIQGELO-FTRWYGJKSA-N 403.504 1.858 30 10 HDEE Nc1nc(C(=O)Nc2ccccc2C#Cc2ccccc2)nc(N2CCOCC2)n1 1621894647 MZQJTBILMCRFNU-UHFFFAOYSA-N 400.442 1.943 30 10 HDEE CN(C)C(=O)/C=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1626104320 SHBYUSKCIBGEJS-JDAJTDLZSA-N 406.508 1.863 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 1627795655 QPWOWRQSMGIVCD-KRWDZBQOSA-N 414.487 1.322 30 10 HDEE CCOCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1628524882 OLHYQDIUUVKZDH-UHFFFAOYSA-N 421.339 1.938 30 10 HDEE N#Cc1ccc(C2(C(=O)N[C@@H]3CC(=O)N(CCN4CCOCC4)C3)CCCC2)cc1 1628646584 HUVLNEPKAJEOIX-HXUWFJFHSA-N 410.518 1.419 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1629069423 UENANMATZPTCBE-IAGOWNOFSA-N 415.494 1.532 30 10 HDEE Cc1cccc(CS(=O)(=O)CCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 1629268280 CPNCISARRHNHOB-UHFFFAOYSA-N 412.515 1.915 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1631533992 ARVBDSYZCHJMPH-SFHVURJKSA-N 418.563 1.568 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C[C@H]4CCCS4(=O)=O)CC3)n[nH]2)cc1 1632253056 MGMOQALSALOFCL-QGZVFWFLSA-N 413.503 1.564 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634287826 GTPISYKQQUTITI-SJORKVTESA-N 408.495 1.864 30 10 HDEE C#CCN(C(=O)c1ccc(-n2cnnn2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817989 LCVUKNRKZSUVRN-UHFFFAOYSA-N 411.466 1.532 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc([C@H]2CCCC(=O)N2)c1 1634988653 BZDCUNRODGTGRF-MRXNPFEDSA-N 412.471 1.705 30 10 HDEE C=CCN(CCOC)C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1635612076 LNRCRRRMRCVHBH-MJGOQNOKSA-N 410.536 1.595 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1637976237 OOBGTDBRAMLZOL-NHCUHLMSSA-N 415.538 1.030 30 10 HDEE C=CC[C@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1638326699 VVJYJPKFDAMUOR-INIZCTEOSA-N 410.430 1.454 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OCC 1640864186 RCSIQLFPAQIOQG-ZDUSSCGKSA-N 403.391 1.876 30 10 HDEE Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1640947647 QELCDEKKHDNGQW-UHFFFAOYSA-N 406.406 1.552 30 10 HDEE COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N2CCN(CCC#N)CC2)cc1OC 1643821920 HMNLNGGKCWRUDU-GJZGRUSLSA-N 400.479 1.970 30 10 HDEE CCOC(=O)c1c(NC(=O)Cn2cc(C#N)ccc2=O)sc(C(=O)NC)c1C 1643987900 FAODYWZGHAZEEJ-UHFFFAOYSA-N 402.432 1.265 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1648091974 CAHIOQFIVJNMCQ-PXNSSMCTSA-N 419.437 1.743 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN3C(=O)Nc3ccccc3)C[C@H]1CS(=O)(=O)C2 1648156106 VTXYWYHWCAUYJQ-URLQWDBASA-N 402.476 1.080 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCc2c(sc(N)c2C#N)C1 1648295923 RDZZWLOOAPVNEM-UHFFFAOYSA-N 410.546 1.639 30 10 HDEE Cn1cc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)nn1 1648646485 WSQCRXHBTZYCCH-MRXNPFEDSA-N 401.492 1.912 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OCC 1648779892 ROZJNDVRWOTBKI-AWEZNQCLSA-N 402.831 1.927 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccccc3)oc(C)c2C)CC1 1650846465 YOBFCAGBRGDZTI-UHFFFAOYSA-N 401.488 1.789 30 10 HDEE COc1ccc(CN2CCN(C(=O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1654148527 CCNZOOAZEQKGHU-QHCPKHFHSA-N 422.529 1.876 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)C(=O)OC 1663616470 HHWDPRSUPKXAMC-INIZCTEOSA-N 418.537 1.407 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nc4c(s3)COCC4)C2=O)cc1 1672357005 GCYKBQJZNIQKSF-INIZCTEOSA-N 411.487 1.688 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1681129991 INDQQVIQEAEBOR-PWRODBHTSA-N 410.518 1.457 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccccc1 1682352986 YJLGVUTVPHUEPO-FQEVSTJZSA-N 408.483 1.949 30 10 HDEE C#CCN(C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1683325904 AIHWBRLXXVPWMI-OAHLLOKOSA-N 400.541 1.966 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1689842221 WNURJZJFVQCKBM-APFMSCDFSA-N 420.473 1.938 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@H]1CCOC1 1689954080 KOKBSURBANKZGX-SFHVURJKSA-N 408.466 1.186 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC[C@H](O)C1 1689961296 RZAIRHATKYYVJE-HOTGVXAUSA-N 406.490 1.813 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689979596 DNRCCJYXKMBEMB-DLBZAZTESA-N 409.600 1.933 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCCOC)cc1)[C@H]1CCS(=O)(=O)C1 1689982102 HYBOCWBLCOEUTR-SFHVURJKSA-N 418.519 1.287 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(CS(C)(=O)=O)CC1 1690049928 MPHWTZJQNDHWAC-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1cnnn1C 1690052236 DJXLXJAOWZFWFP-UHFFFAOYSA-N 403.490 1.712 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(OC)CCC1 1690189836 DBQBLULPXGFMFN-CRAIPNDOSA-N 409.556 1.840 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1cnccn1 1690245257 GFGBVKXRIKVERJ-WDYCEAGBSA-N 411.510 1.679 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1690478457 XRJPDQBBDMRNAM-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nc(C)cs1 1690527188 KUVQHWTVHSMBDZ-ZDUSSCGKSA-N 412.541 1.046 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCOCC2)C1 1690699631 HGEUOXOGWGNFKC-ZWKOTPCHSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)OC)CC1 1690724060 HIJSDWMADYCLOU-UHFFFAOYSA-N 413.544 1.356 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690749354 AJEXGGXELJTMGO-KRWDZBQOSA-N 420.583 1.624 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccn1 1705651596 CHVIRDNWYFWBPB-AWEZNQCLSA-N 408.553 1.286 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCCNS(C)(=O)=O 1705673670 IIIZFMGANDAWRZ-HXUWFJFHSA-N 417.535 1.885 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NC)CC1 1705782033 NACZFMQUXPPKNU-OAHLLOKOSA-N 409.556 1.355 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2)CC1 1705901426 LEZBXGUJNMKGBT-SFHVURJKSA-N 408.506 1.915 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)cc1 1705911455 IMLJRFCKRPZLQV-SFHVURJKSA-N 424.505 1.544 30 10 HDEE CC(C)(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1706092216 DOHMQPGBVMUERZ-UHFFFAOYSA-N 401.515 1.416 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1706746474 BGAZQXVLNZKMIW-OAGGEKHMSA-N 424.527 1.042 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)C1 1706935818 ZHARKJRDDFZXLC-GPMSIDNRSA-N 405.524 1.655 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)CCO1 1712883077 KIQZEWOHWQSYCZ-CRAIPNDOSA-N 416.463 1.450 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1 1722379160 FVYQLGRNYURFFN-UHFFFAOYSA-N 415.545 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1722384446 WDBWOZFNSXCNAM-GOSISDBHSA-N 417.579 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCO2 1722387311 JQKBPJVUDOBVCP-UHFFFAOYSA-N 405.458 1.754 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1722406145 VKBJPUGIZJCYQO-UHFFFAOYSA-N 418.519 1.350 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)noc1C 1722418725 AESSPVIYPABKOX-UHFFFAOYSA-N 423.477 1.919 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc([C@@H](C)O)cc1 1722426618 FEGVWSKUMKBPQT-QGZVFWFLSA-N 411.506 1.588 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722461642 TVRDKQBVLDALSA-IBGZPJMESA-N 407.547 1.807 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1722530860 ZLSVKBAXHMIOHU-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1722672234 MROAEFQFBCOGOA-QGZVFWFLSA-N 423.583 1.469 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(Cl)nc2)n1 1726136650 DQKHMUGAYQXOKZ-INIZCTEOSA-N 412.885 1.965 30 10 HDEE CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1727866219 YBPXTWAFBHXFEB-SQRWCISFSA-N 422.555 1.707 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1728673684 ZPBQZARJFBXQGG-UHFFFAOYSA-N 424.509 1.194 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1cccc(F)c1 1729317990 GXKBOYPEBPBUPT-IEBWSBKVSA-N 422.468 1.906 30 10 HDEE CN(CC1CCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729460786 JYSUSYSZVWYIBA-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1729929526 IDEKCTLARWXZIK-HNNXBMFYSA-N 401.492 1.477 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1740531298 JMUGSPGQEXHKDH-AWEZNQCLSA-N 416.913 1.844 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740544881 LIUYYGJWRBQSBJ-DOTOQJQBSA-N 420.525 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1740552973 POUZHPJISMCAPT-JKSUJKDBSA-N 415.519 1.667 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1740553452 SLXXTLVRAXOHNS-KRWDZBQOSA-N 419.537 1.886 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(C(=O)COC)CC1 1740595903 MINZXSKFPRFART-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1740626179 KBTDIXMWWGVSJG-CQSZACIVSA-N 404.483 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)CC 1740646562 DSNFEDMXRQTMDW-UHFFFAOYSA-N 417.311 1.977 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1740664614 XACRUFOOQKIHOY-HXUWFJFHSA-N 415.519 1.286 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1740831000 DKEHIRJVNKOXBK-SFHVURJKSA-N 416.570 1.885 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC)C1CC1 1740910170 KXQLLGPHYWCODT-UKRRQHHQSA-N 415.585 1.517 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740961047 JYWUPBNJRIMKQI-UHFFFAOYSA-N 406.531 1.836 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1740962757 NITGBVAFIAOONR-OAHLLOKOSA-N 423.521 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1740989425 MNWPZNIFSRWEKE-LJQANCHMSA-N 419.482 1.996 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](CCOC)C1 1740989671 UWKRMBXNARNULV-INIZCTEOSA-N 407.540 1.747 30 10 HDEE CC[C@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1744252523 LKYVGSZLQBUITK-BONDDZEJSA-N 400.483 1.687 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1745793756 FKSDWRSDSOWJPL-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1747432577 CMEWWHRHJZXPBT-OAHLLOKOSA-N 418.523 1.371 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1748766373 ODNOYAICSAHYHF-UHFFFAOYSA-N 402.886 1.409 30 10 HDEE COc1ccc(OC)c(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1748857571 SIGMKYBTKDZIEW-QAPCUYQASA-N 413.478 1.966 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)SC)CC1 1749011054 ZBSDEFALLNCACD-HNNXBMFYSA-N 418.567 1.337 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749115728 VMKJPEYORZYJEC-ULQDDVLXSA-N 416.526 1.162 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC2=CCCOC2)cc1 1750384216 QTESAUNSVIIPNM-UHFFFAOYSA-N 422.489 1.777 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(O)CC1 1750966831 VUEJTWYUMRADOY-UHFFFAOYSA-N 409.494 1.139 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760095557 RUXAZNOTNOYWPM-GDBMZVCRSA-N 414.485 1.358 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1760099279 ZUVKLGBYDRZLKO-ARFHVFGLSA-N 419.555 1.429 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnccc1OC 1760211504 IWRUNPQMWZCAMN-JOCHJYFZSA-N 409.490 1.845 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)OC)CC1 1760283618 UGQKENZTENNEDC-UHFFFAOYSA-N 420.564 1.889 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760316975 YZOBTXKXUJMQTE-BBWFWOEESA-N 411.572 1.853 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1760462000 NPSRYRBFCNYNEN-KRWDZBQOSA-N 412.494 1.367 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760556151 VXDJHTBSZRPWEZ-IRXDYDNUSA-N 421.567 1.784 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1=CCCCC1 1761502629 QHWNEDIBPZEOQV-ZBFHGGJFSA-N 408.528 1.508 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1764684208 CYRGZXLDMZUPIX-SFHVURJKSA-N 409.494 1.400 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)CC1 1765561743 CXTSGIIIDYWLDW-RBUKOAKNSA-N 403.575 1.796 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1767686576 BNVNPEUJBDLCBM-LJQANCHMSA-N 424.505 1.585 30 10 HDEE COCCN(C)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1771085189 WBULTSZLSJCUII-PMACEKPBSA-N 424.521 1.339 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1771539696 IEXGAKBNPOVLST-IAGOWNOFSA-N 407.540 1.737 30 10 HDEE O=C(CCC(=O)N1CCN(c2ccccc2)CC1)ON1C(=O)c2ccccc2C1=O 1772790476 PASCMVDYWJTVPC-UHFFFAOYSA-N 407.426 1.870 30 10 HDEE N#Cc1ccc(C(=O)CO[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1849316455 ADMRZZGCQGGLEX-PMACEKPBSA-N 403.438 1.769 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCC(COc3cc(C#N)ccn3)CC2)c2ccccc21 1851597459 GOPKOSRSQVTFQE-UHFFFAOYSA-N 405.458 1.924 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CC1 1852649233 FFEWYPOTISZXHT-MRXNPFEDSA-N 410.927 1.551 30 10 HDEE C=CCn1cccc(C(=O)N2C(=O)CCN2S(=O)(=O)c2ccc(OC)cc2)c1=O 1852841300 NLRIEVYPEKFXQW-UHFFFAOYSA-N 417.443 1.021 30 10 HDEE CC(=O)N1CCC[C@@H](CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852880287 DRWATDTUTVNANJ-IRLDBZIGSA-N 401.507 1.913 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCc4cc(OC)ccc4C3)C2=O)CC1=O 1853874515 QJXDVXLDWHPWJY-AZUAARDMSA-N 411.502 1.605 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCOC3)C3(CCCC3)C2=O)CC1=O 1854008090 KHQAKOCIVUTOPR-ROUUACIJSA-N 403.523 1.431 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)C1 1854979196 KBAAOISRRINZAQ-HOTGVXAUSA-N 416.547 1.872 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c2cccc(C)c2n1 1856112884 KDRPYKRRZMALDZ-UHFFFAOYSA-N 414.487 1.768 30 10 HDEE COc1ccccc1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857066017 DZLOOKKIWMRIHI-OAHLLOKOSA-N 405.476 1.249 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857265255 TYLOBCRTFHFMTO-UZLBHIALSA-N 406.486 1.942 30 10 HDEE CC(C)n1nc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)ccc1=O 1857281223 ISTGBXSGAYCXPW-SJORKVTESA-N 411.506 1.829 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)cc1 1857432519 HGZZCZNDXYHZNR-QZTJIDSGSA-N 409.421 1.772 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(C)nn2C 1864316471 KKRGUCZKLGUKOW-SFHVURJKSA-N 411.506 1.666 30 10 HDEE C#CCOc1cn(Cc2ccncc2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870560275 OQOBUCNFBHPGMY-UHFFFAOYSA-N 410.474 1.578 30 10 HDEE C=CCN=c1nc(Nc2ccc(N(C)C)cc2)[nH]c(N(CCOC)CCOC)n1 1871693572 FZDSAAFVMHBRBN-UHFFFAOYSA-N 401.515 1.800 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1ccc(C(=O)N2CCNC(=O)C2)cc1 1873746041 FAGTVUVPYHIPSG-UHFFFAOYSA-N 409.442 1.841 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C3(C)CCOCC3)CC2)CC1 1889271460 XIGNQPRXJSZNBU-UHFFFAOYSA-N 405.583 1.840 30 10 HDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1F 1889352949 IFRZWDLKNZJLPA-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 1900393181 HFJYZEQXVXRQNU-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE C#CCN1CC[C@H](NC(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1994286535 HYOCSJYPUKFNSB-VQTJNVASSA-N 414.550 1.835 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2cc(C#N)ccc2Cl)COC1 2118169307 WLJZFQNJSKATCX-UHFFFAOYSA-N 401.872 1.784 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174789756 UWQIKPJCHSMVKL-FOLVSLTJSA-N 400.545 1.948 30 10 HDEE CC(C)(C)OC(=O)N1CC[S@@](=O)(=NS(=O)(=O)N2CC[C@H](C#N)C2)C(C)(C)C1 2189355289 GHOUVASVPUTCJC-SRGMZFCMSA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCB3OC(C)(C)C(C)(C)O3)O[C@H]2C1 2242812943 NXBARCJWOANGLA-IHRRRGAJSA-N 412.292 1.137 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OC(C)(C)C)n1 2243387198 PLVCZSHBSIDVAJ-UHFFFAOYSA-N 408.308 1.457 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243419082 READLDLPZFQRGV-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247814730 UDRWUZZWPUOHSG-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)n1 2247914632 NYRBMNXVRRWQKE-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248401749 NPIYAYGBAHOQMR-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE Cc1cc(S(=O)(=O)NCc2nncs2)sc1B1OC(C)(C)C(C)(C)O1 2267709286 ZAGBWYBTIRPNEB-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C=CC[C@@]1(CO)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272099296 DZENBWMQSPNXKP-VQTJNVASSA-N 424.494 1.601 30 10 HDEE C=CCCC1(C(=O)N2CCC[C@@H]2CS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2281015335 VHCOAYDCKPIWDM-CQSZACIVSA-N 401.529 1.469 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1CS(=O)(=O)C1(C)C 2282008635 JWYGSQRMDBEPPY-NSHDSACASA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2282316596 FMEKWMBRSSPTJT-UMNHJUIQSA-N 418.777 1.729 30 10 HDEE Cc1cc(S(=O)(=O)NCC2([S@@](C)=O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282325197 AZNZHZSWFOCNJX-RUZDIDTESA-N 419.399 1.545 30 10 HDEE CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329862 SCYNSTQNFHLUKB-ZIAGYGMSSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCC[C@H]2O)OC1(C)C 2282499774 FTCOTFWJECNAHP-WCQYABFASA-N 402.347 1.165 30 10 HDEE C[C@H]1COCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282507230 DNSRZFNHZLOGPG-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2282573577 BZXKOMXJZLUBMR-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC(C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(N)=O 2282829605 HHYQZINVZAVYQW-UHFFFAOYSA-N 402.709 1.181 30 10 HDEE CCN([C@H]1CCSC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282832825 RYIGJBGWFOTTIW-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282833348 HDZQUHYGFRSWHD-CHWSQXEVSA-N 400.375 1.632 30 10 HDEE Cc1scnc1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840935 KPYBVDRREJUBHS-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N(C)C 2282848829 SHTPKKSVQQHBDB-OCCSQVGLSA-N 400.375 1.618 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1OC 2282849210 XUBPNKQZUBGBNY-TXEJJXNPSA-N 403.331 1.082 30 10 HDEE CSCCCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282861793 UCRFGEJSHAFEKO-UHFFFAOYSA-N 403.379 1.531 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877847 XUQJWLMCRYCMEJ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCCNCCC3)s2)OC1(C)C 2284501819 VDHMLXBHYKDMBV-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CN(CC1COC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2285333062 LRAPBPIZOIKXLK-UHFFFAOYSA-N 401.721 1.906 30 10 HDEE O=C(N[C@@H](CCS)C(=O)O)c1ccc(I)c([N+](=O)[O-])c1 2296129494 SDRRUCVQISPBJT-QMMMGPOBSA-N 410.189 1.702 30 10 HDEE Cc1nn(C)c(C)c1C=Nn1c(SCC(=O)NC2CCCCC2)nnc(C)c1=O 2321653586 SNNVENRIURBYBK-UHFFFAOYSA-N 417.539 1.720 30 10 HDEE C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2359276079 QDPDTFDSWPIGNJ-SCDSUCTJSA-N 401.721 1.687 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N[C@@H]3CCCC34OCCO4)cc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c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2369652181 JMOHSQLTTYTFMF-QWRGUYRKSA-N 424.756 1.631 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1 43767704 DHSFWALWUJSKLD-UHFFFAOYSA-N 416.478 1.956 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)CC2CCCC2)CC1 410132789 YEITWCRRQZQHBV-UHFFFAOYSA-N 400.545 1.254 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)c1 427991311 KGZUKSORJDNAQG-PYGSNRKYSA-N 414.527 1.390 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 434442116 MGRWCFMZBZAJQI-UHFFFAOYSA-N 409.837 2.436 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(=O)c3cccn32)CC1 468245434 OMWUIEIIPIFAOE-KRWDZBQOSA-N 412.471 1.410 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1 472017712 PWPDHBLKFKOKHC-FXAWDEMLSA-N 407.518 1.832 30 10 HDEE CC(C)C[C@H](CO)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 479132018 OKTVGTDRJWYAMS-GOSISDBHSA-N 407.536 1.824 30 10 HDEE Cc1ccc(NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1C(=O)N1CCOCC1 487137496 MSTDWVQFRZIYSR-UHFFFAOYSA-N 406.442 1.708 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 507508503 JIIXTVANTYADEG-AWEZNQCLSA-N 424.954 1.965 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccncc2)c1=O 514835867 UBMCTYCFLVJVDS-UHFFFAOYSA-N 416.506 1.728 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1 532827084 GZQIAPQYAOUGBZ-SFHVURJKSA-N 405.520 1.435 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 541826761 GQMMMAVUAFFTQM-INIZCTEOSA-N 424.544 1.276 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 546169997 YAJZXNYJXCBPLU-QVKFZJNVSA-N 410.478 1.103 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 551424104 AEMHYGQMLJBBOP-QZTJIDSGSA-N 417.579 1.838 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C1(c2cc(F)cc(C#N)c2)CC1 552358771 UMZKPDVLAHQCRU-VQHPVUNQSA-N 400.406 1.681 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 555270234 ZUMLVVDKRLSGBW-SJORKVTESA-N 411.572 1.303 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 572169562 YNLMKOUFUMFJDZ-GOSISDBHSA-N 417.535 1.906 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)CC(=O)Nc1cc(OC)cc(OC)c1 573845397 KIOHAEDDJZZJAL-QGZVFWFLSA-N 417.466 1.644 30 10 HDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCc2ccccc2C1 585673325 ARZVUPOCWDUZSG-KFTMBBBPSA-N 404.426 1.645 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCCCC#N)CC3)CC1 588722051 KDIPGSVVHRUEIK-KRWDZBQOSA-N 400.527 1.423 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 603799659 RGDVERFADXUICA-SFHVURJKSA-N 423.538 1.523 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(N3CCC(OC)CC3)CCCC2)CC1 604198699 NMUZCHQRAAQUCB-UHFFFAOYSA-N 421.586 1.039 30 10 HDEE O=C(c1c(C(F)(F)F)nn(CCO)c1C(F)F)N1CC[C@@](O)(C(F)(F)F)C1 677825829 KISWEIQCWJWPJY-NSHDSACASA-N 411.249 1.971 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C3CCC(=O)CC3)s2)OC1(C)C 718826212 RBXSKTXBXCFJLQ-UHFFFAOYSA-N 400.331 1.373 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1F 728584169 XVRONZYNVQYUCW-HNNXBMFYSA-N 416.478 1.878 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729668587 ABNRRWAAAKUNEP-UHFFFAOYSA-N 407.499 1.312 30 10 HDEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140098 UPNYCGLSDZIMTR-QGZVFWFLSA-N 417.535 1.594 30 10 HDEE CN(C[C@@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732468161 DWMBCSMOHGSQKK-VUAZUDAXSA-N 421.498 1.411 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCC1(N2CCSCC2)CCCCC1 732703168 ABDXHQDYQLWDHC-ZCXUNETKSA-N 421.567 1.564 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 733201720 LYYYWMMCCOSPOT-OLRQPGBRSA-N 401.536 1.015 30 10 HDEE C=C(COC(=O)CCNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 734023882 GICFGSIBXJPSML-UHFFFAOYSA-N 420.281 1.780 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 734975174 RBIAVRQKZQSARJ-CYBMUJFWSA-N 401.444 1.532 30 10 HDEE COc1cccc(N2CCC[C@@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)c1 735379357 CFFQHYUVGZSFCB-FZFLATATSA-N 413.478 1.490 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(c4nnc5n4CCC5)CC3)C2=O)cc1 743355414 IAYJBSBWYXUXDI-UHFFFAOYSA-N 419.489 1.697 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 743493450 UCSRABIGVZVABC-KRWDZBQOSA-N 409.577 1.895 30 10 HDEE C#CCN(C(=O)Cc1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 754273956 GUSHCXBSRISGAZ-CQSZACIVSA-N 417.268 1.483 30 10 HDEE CC(Cn1cc(Br)ccc1=O)=NNc1ccc(S(N)(=O)=O)cn1 761782791 ZVZGFPBIOHPDDL-UHFFFAOYSA-N 400.258 1.141 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CCO2)c1 762007196 SKBVWLDWNAHKIF-NRFANRHFSA-N 420.469 1.933 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1Br 771935805 YDOHMUQZUKHJHG-LBPRGKRZSA-N 406.323 1.569 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774144313 BHRFJSCSWXVKEE-MOPGFXCFSA-N 423.510 1.031 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774144317 BHRFJSCSWXVKEE-RBUKOAKNSA-N 423.510 1.031 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)CC3(C#N)CCCC3)c(=O)[nH]c21 779313984 DQJFNNAROBWFFS-AATRIKPKSA-N 417.491 1.849 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 781595937 OFCHTDXBRXHKFE-CQSZACIVSA-N 411.480 1.594 30 10 HDEE COC(=O)COc1ccc(C=NNc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-] 788712589 WAGNPMVYUSQQQU-UHFFFAOYSA-N 407.404 1.996 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccn(-c3ccccc3[N+](=O)[O-])n2)n1 788814939 JVPHNEIEPDEBFW-UHFFFAOYSA-N 408.418 1.899 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN(CC(F)F)C2)c1 791329043 BLTPJPSBOIYOKJ-PGMHBOJBSA-N 400.451 1.635 30 10 HDEE C=CCN1CC[C@@H](OC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1=O 798571921 IPAFQURXDLNVNU-CQSZACIVSA-N 421.247 1.765 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CCOc4ccccc43)CC2)cn1 801288296 SRBVHASSPQQSMK-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1CCOC 802416990 JLEHQDSUPNRUOH-INIZCTEOSA-N 415.498 1.242 30 10 HDEE CC(C)(C)OC(=O)CCNN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807982550 FGCJMLLOYVTHBN-UHFFFAOYSA-N 406.302 1.752 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812267377 DSIBOHRCEUOBAY-WMZOPIPTSA-N 418.519 1.462 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)cc1C#N)CCO2 814398686 LSVBKQJTHGSPIM-UHFFFAOYSA-N 411.455 1.708 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 916775367 QNEWZKCUEGYKPL-UHFFFAOYSA-N 408.439 1.474 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)c1 917921699 ZZIWMNNHDNBJAZ-UHFFFAOYSA-N 420.512 1.721 30 10 HDEE C#C[C@@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C1CCOCC1 1131257477 PVYGDIKYFRAIFI-QGZVFWFLSA-N 413.474 1.739 30 10 HDEE C=CC[C@@H](NC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1138147851 ZEWYLIQQMWWGBJ-KUHUBIRLSA-N 400.472 1.263 30 10 HDEE COC(=O)[C@@H](CNC(=O)Cc1ccc(C#N)nc1)Oc1ccc(Br)cc1 1140430590 RWTSXMXKFHBTHX-MRXNPFEDSA-N 418.247 1.995 30 10 HDEE CN(CC(C)(C)C#N)C(=O)c1ccc(I)cc1-n1cnnn1 1141372239 FFVFWKRKKKBOSG-UHFFFAOYSA-N 410.219 1.889 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1146477457 GMCQBCDICIICOM-DYVFJYSZSA-N 421.519 1.942 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](C[C@@H]1COCCO1)C(F)(F)F 1150871686 QAMCZYBAONOXPN-MCIONIFRSA-N 413.400 1.369 30 10 HDEE C[C@](CO)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1163973197 GGRSWMIWOSTBOD-XMSQKQJNSA-N 406.442 1.787 30 10 HDEE CCn1cc(CNC(=O)COc2ccc(C#N)c(Br)c2)c(O)nc1=O 1175579025 KQJIMHHMYVUDOJ-UHFFFAOYSA-N 407.224 1.298 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1176837340 MCFFLEGIQYBVPR-LUYZLQTOSA-N 409.474 1.871 30 10 HDEE C[C@H](CC(=O)NCc1nc(CN(C)C)cs1)/N=C1/NS(=O)(=O)c2ccccc21 1178083480 DRXHGYSQPARCHR-GFCCVEGCSA-N 421.548 1.338 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1197958863 FFHCDWMIJJEBST-UHFFFAOYSA-N 403.552 1.581 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1210300330 AFCQPXRQTLBRRP-LBPRGKRZSA-N 422.326 1.023 30 10 HDEE C#CC1(F)CN(C(=O)NCC(=O)Nc2ccc(I)cc2)C1 1228245840 PIDXMIAACZASRX-UHFFFAOYSA-N 401.179 1.596 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3ccc(Cl)cc32)CC1 1254141536 WYCTVLUZBAOMID-KRWDZBQOSA-N 410.927 1.512 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1 1266524799 CSOBOSLXZNUMFS-ZDUSSCGKSA-N 402.266 1.248 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286349339 IAFASWOBDPWXNT-DLBZAZTESA-N 416.551 1.711 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286394968 QIGNDKCWQNZSPB-ROUUACIJSA-N 422.551 1.225 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N(C)C 1286465971 CQLDWLCCSAVEGJ-GOSISDBHSA-N 413.478 1.355 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H]2CCOC2)CC1 1286491992 CFZZBYRNPASUSU-HKUYNNGSSA-N 415.538 1.565 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(COC)CC1 1286556899 RXZCHPJFIXSEEW-LNLFQRSKSA-N 401.511 1.993 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286710539 ZQFIKCYOIDMHLL-IRXDYDNUSA-N 416.526 1.413 30 10 HDEE CS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(Cl)cn1 1296138093 SAYVAVJITWCGMN-UHFFFAOYSA-N 402.823 1.843 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)F)CC1 1297515816 BCPZKNNVNALTSK-UHFFFAOYSA-N 401.417 1.317 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1=O 1298847312 OQGGXPCEOJDSQL-HSZRJFAPSA-N 419.525 1.995 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1299675064 LCXUPRDYWNBTIL-HOCLYGCPSA-N 410.492 1.224 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1300295365 GUUPZTXYTORAAF-HNNXBMFYSA-N 410.503 1.688 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300382417 SRGYZGVYKJZYKU-KRWDZBQOSA-N 402.543 1.962 30 10 HDEE C#CCN(c1nnc(C)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300484587 QPAUXYACBSMYAS-QGZVFWFLSA-N 407.540 1.004 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC2(C)C)CC1 1300711408 ZTZNNLYYPNVZBN-MRXNPFEDSA-N 400.527 1.428 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1300778497 XQXHBUNPIMEZQN-VYDXJSESSA-N 407.540 1.035 30 10 HDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1300970343 PSROTKOBNFYEBQ-IEBWSBKVSA-N 418.586 1.983 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301187027 NKTUELANYKDMKP-MSOLQXFVSA-N 413.526 1.996 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1301261070 ATXONXDWJGHOTQ-IPMKNSEASA-N 405.543 1.879 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCCC2(C)C)C1 1301555821 DLDHBQXSBSBXBL-GVDBMIGSSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CC)C1 1301567571 JPAWHATYGOMCRZ-OAHLLOKOSA-N 418.523 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301568035 BYTYPJYRBMTFQK-KRWDZBQOSA-N 411.572 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N(C)[C@H]1CCOC1 1301593087 IFHMVXIXBMMPHU-KRWDZBQOSA-N 420.535 1.991 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1303046090 IUBRLNBRMJSFFJ-GJZGRUSLSA-N 411.480 1.439 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1303065979 QPRIPMCVWSOQHU-UZLBHIALSA-N 404.515 1.801 30 10 HDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1303556879 FUWPZFDZJVIZSE-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE C#CCN(C(=O)CN1CCCCC(=O)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303655283 ASMCDXLSEBQBOG-UHFFFAOYSA-N 405.495 1.429 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)n[nH]2)c1C 1304637807 CLFHJZVANJCJCE-AWEZNQCLSA-N 408.466 1.580 30 10 HDEE C=CCC[C@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1311381507 RNKDXXRXIZWLOJ-SFHVURJKSA-N 421.567 1.674 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1312885108 OPWNSXLRWVXIPQ-KNBMTAEXSA-N 404.536 1.572 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1315102026 CMIZVNCWTQDZQO-INIZCTEOSA-N 411.462 1.643 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)c2cc(C#N)c(SC)nc2O)CC1 1319876642 FDXNSSQPXCGQMU-UHFFFAOYSA-N 420.491 1.254 30 10 HDEE C=C[C@H](COC)NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 1347368910 BBNLVGAIDYNRKI-QZBQPBHFSA-N 406.482 1.783 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1358889494 CKKWYYITSGWCLZ-RDJZCZTQSA-N 409.556 1.649 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1358996740 PRUHDDCAXHQREV-IBGZPJMESA-N 418.501 1.514 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCNS(C)(=O)=O 1359093707 RCLXFXGJNVWWCS-DOTOQJQBSA-N 423.539 1.813 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1359240790 XKCXUBXPYNAUIU-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1359286660 IUKDMMBQXIWMIW-INIZCTEOSA-N 414.897 1.917 30 10 HDEE C=CCN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[C@H]1CCS(=O)(=O)C1 1360053864 BZZURGKHWNDVFF-INIZCTEOSA-N 404.448 1.655 30 10 HDEE C=C(CCC(=O)OC)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 1441620487 HVSOFMHGFTVRKZ-UHFFFAOYSA-N 403.479 1.820 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2CC2CCOCC2)c1 1456833424 KHXWCYVBZDMBRP-HNNXBMFYSA-N 410.467 1.781 30 10 HDEE C#CCOc1ccc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)cc1 1460188679 RFLIEADGNWEQKW-OAHLLOKOSA-N 404.513 1.916 30 10 HDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1461962414 MYKVSRIXDCLWET-HNNXBMFYSA-N 419.459 1.120 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)N(C)OC)CC2)s1 1468409811 OOQAWRHPUDHNFR-UHFFFAOYSA-N 415.537 1.013 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)/C=C\C(=O)c1ccc(C)cc1 1468774520 CPDWZIXALAGHKA-SVUXDUJVSA-N 404.488 1.703 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1471083807 QTIIWXVZPFSJMR-YCRPNKLZSA-N 416.478 1.922 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCc1cncc(C#N)c1 1471967198 IJWKQFRIJGABDK-JOCHJYFZSA-N 403.442 1.959 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1475153402 VFFUJBYIMNITAR-RCCFBDPRSA-N 412.508 1.126 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)OCC 1475579086 OFWPITSCZJNRNQ-LBPRGKRZSA-N 413.876 1.582 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCC[C@H]1CO 1492909487 TVBANSHTRGYUQQ-FQEVSTJZSA-N 424.553 1.417 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1507635178 UBOPEPWUJAFHKP-INIZCTEOSA-N 404.540 1.194 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1507656702 JFMREBAWOYAMLI-FDDCHVKYSA-N 408.502 1.685 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1507668882 DZXOTATZABGOSG-HNNXBMFYSA-N 403.533 1.456 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1c(CC)nn(C)c1OC 1507672541 BNSYWWSQQMVQGP-UHFFFAOYSA-N 423.521 1.216 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)COC)CC1 1507857878 WAIKZBUTJCYHIG-AWEZNQCLSA-N 401.895 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCC2)CC1 1508140596 IXZQSJZXQLUUCQ-SFHVURJKSA-N 423.583 1.795 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1508160724 HZEKZKLEPUBMIR-YJBOKZPZSA-N 412.581 1.716 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1CCCCO1 1510147960 FPQUABVRSDIKNW-PMPSAXMXSA-N 412.560 1.976 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccc(OCCN(C)C)cc1 1517929173 KHRKNXIDQSFEAJ-GOSISDBHSA-N 422.533 1.959 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1518271138 HRITZPHHIOEXGZ-KRWDZBQOSA-N 403.446 1.580 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CO)c1 1519276872 KUKFHWKOMHREEV-MGPUTAFESA-N 403.458 1.985 30 10 HDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1519343573 DYZGEYLEKMORBN-MRXNPFEDSA-N 417.514 1.629 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)C(F)(F)c1cc(F)cc(F)c1)C(F)(F)F 1525629863 ZSCSJFABGKIMAW-SNVBAGLBSA-N 410.311 1.995 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CCc2ocnc2C(=O)OC)cc1 1527057363 IKYAYZJCYIIJIH-UHFFFAOYSA-N 407.448 1.839 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1 1537192236 JUDHBKRLZAQYGJ-TZMCWYRMSA-N 405.398 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](CC)c2ccccc2)n1CCNS(C)(=O)=O 1539300701 XADBZALPFHEHKM-LJQANCHMSA-N 413.547 1.832 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCS(=O)(=O)CC1CC1 1539552511 SDTKLFQIQMLKTG-LJQANCHMSA-N 400.508 1.552 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1540044290 SBRNDHTUPMQJKP-LJQANCHMSA-N 408.572 1.246 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 1540289059 RSOVYZMCWMHJBH-UHFFFAOYSA-N 412.496 1.819 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1540857939 WZUCOGUZQSFPBQ-QZTJIDSGSA-N 416.570 1.927 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)S[C@@H](C)C1 1540862292 XUKYLEACLFBLEQ-KBPBESRZSA-N 408.572 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(C)on1 1540901390 BRLFUXMUJSTJEW-UHFFFAOYSA-N 405.484 1.212 30 10 HDEE C[C@@H]1CC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1543680303 GVZOUMLNDIYBPE-BFYDXBDKSA-N 402.499 1.333 30 10 HDEE CCCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1547094116 JAXYKEQUUWKEPJ-VHEBQXMUSA-N 412.498 1.512 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCN2CCCCCC2=O)CCO1 1555992952 FLGOWKRVHQQBDC-KRWDZBQOSA-N 409.494 1.862 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 1557580185 STXFCGYDWGUVDC-OAHLLOKOSA-N 405.303 1.816 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)cc1 1557997646 UOIPRIWJGXKYNB-QGZVFWFLSA-N 411.487 1.243 30 10 HDEE O=C([C@H]1CC(=O)N(CC(F)(F)F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033068 UMOMJJYGGKEKTB-NSHDSACASA-N 413.352 1.301 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1559043038 NXFHACUFJMDJLS-SHTZXODSSA-N 422.507 1.256 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)CC1 1564601864 TVYVHDKMVVDFJN-SKINQDTJSA-N 413.522 1.884 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C1CCOCC1 1565106609 VOVIISMSRLKPQR-LPHOPBHVSA-N 411.458 1.121 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1583197649 IWVDBCGMUCDGRD-CQSZACIVSA-N 412.446 1.424 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@H](c3ccncc3)C2)cc1 1587659029 ULFQWDAZWOBENT-HKUYNNGSSA-N 414.487 1.924 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccnc(C)n2)CC1 1587812828 DBHZDROXTVDXEF-QGZVFWFLSA-N 413.526 1.841 30 10 HDEE CS(=O)(=O)NCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1587896827 DAPOJFPWKFDBNR-INIZCTEOSA-N 412.471 1.599 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1588075151 ZBDQUUPSJLMGBU-KRWDZBQOSA-N 420.539 1.106 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC)OC 1588124821 SLILBBYQKYICOU-MRXNPFEDSA-N 404.474 1.690 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCN2CCO[C@H]1C2 1588135025 YZFHYOMVLBKDTN-WBAXXEDZSA-N 402.882 1.496 30 10 HDEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CCCC1 1595714314 TVSPYJKHZCRKJS-CVEARBPZSA-N 418.563 1.979 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCC[C@H]1C 1596807286 TWBCVIOZMZHJBJ-IIDMSEBBSA-N 407.482 1.942 30 10 HDEE C=CCn1cc(CNC(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)nn1 1598181800 LAGFWQDHHZIXGI-ZDUSSCGKSA-N 401.471 1.730 30 10 HDEE COC(=O)C1(N(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C2CC2)CCC1 1598407977 ZBTJXFZYAFZHGF-QGZVFWFLSA-N 424.457 1.850 30 10 HDEE CC(C)Cc1nnc(N2CCSC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1606689888 PDBYMORCIYYNRE-MGPWXQLLSA-N 404.540 1.945 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccs1)N(C)C 1609506687 FXCRYDVMEDFPGX-HUUCEWRRSA-N 417.539 1.509 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCC2)CCOC1 1610901238 COMNYFLQFQCFKJ-DYESRHJHSA-N 418.542 1.532 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1611332208 NDTWHTIFNKPQIL-FXCLAUTBSA-N 424.505 1.855 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCC1 1615923534 JSIYABYGIKJNPL-HZPDHXFCSA-N 402.499 1.207 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1618303822 QXXRCAZGIRHRCV-UHFFFAOYSA-N 420.464 1.867 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c2ccccc21 1618399593 DWWOJOJPPPGLAM-INIZCTEOSA-N 410.478 1.565 30 10 HDEE COC(=O)N1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1622069107 BTAFEMPXOVARMI-UHFFFAOYSA-N 420.260 1.969 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1624313901 TWLUJBGBIZLDJG-UHFFFAOYSA-N 418.902 1.831 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1627367156 BEQKGIMXVPTETA-LESCRADOSA-N 410.923 1.726 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)ccc1F 1631637913 ISKVYRRLBHKPGX-SFHVURJKSA-N 417.506 1.947 30 10 HDEE CN1CCC(N(Cc2ccco2)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1632729330 GSQWKELMSAYFAD-UHFFFAOYSA-N 416.503 1.553 30 10 HDEE COC(=O)CCSCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1633997433 MUCVCWJGGVYUCY-CYBMUJFWSA-N 409.895 1.977 30 10 HDEE C#CC[C@H]1CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634986288 GTBFOFBLBQWLKH-PKOBYXMFSA-N 401.482 1.898 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1635284599 NWNGIUWUOACATB-JJRVBVJISA-N 407.898 1.839 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)s1 1635662328 JUXHNIBTIAJISY-CJNGLKHVSA-N 424.548 1.525 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCn3ncc(I)c3C2)cc1 1635680469 SHSZTMJYWDKMPN-AWEZNQCLSA-N 408.199 1.435 30 10 HDEE C[C@H](CC(=O)NC[C@H]1CC2(CCOCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1635877581 GTUYHGZRLVLRDJ-HUUCEWRRSA-N 421.519 1.206 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC#C[C@@H]2CCCCO2)CC1 1637185373 BGJZPIUQKWPWFH-KRWDZBQOSA-N 408.524 1.116 30 10 HDEE C#CC[C@@H](NC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1)C(=O)OC 1637697467 TXJJYIOEAACWBW-GOSISDBHSA-N 422.441 1.792 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](C4OCCO4)C3)C2)C1 1638505531 BOYUVAWGIIPVSG-ANZKDXPISA-N 405.495 1.995 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C)C(=O)OC 1638827335 TYPXGAJCBNWAKD-QGZVFWFLSA-N 404.444 1.361 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1639687817 OJUMETDYZQXKES-OKZBNKHCSA-N 419.526 1.710 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2Cc3ccccc3N3CCC[C@H]3C2)c1 1641820678 YUKHAWVNKQSDIG-SFHVURJKSA-N 410.499 1.848 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1641927299 XNJGWKJTAMWYTD-OAHLLOKOSA-N 423.498 1.898 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)cc1 1642576372 NJPRVXQXFLWZGU-IBGZPJMESA-N 415.490 1.394 30 10 HDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)CCOC1 1643889986 UTLUBIIRLWFJIN-IBGZPJMESA-N 406.870 1.100 30 10 HDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1645454301 FFUXHHHOQUZHRU-UHFFFAOYSA-N 424.523 1.147 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C(=O)OC 1648605055 KNZZRRQSRVGFDA-QRQLOZEOSA-N 415.490 1.833 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)cc1 1649157129 XAVVROSOOKWGHE-FQEVSTJZSA-N 417.487 1.754 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCC)cc2OC(C)C)CC1 1650846372 UJMKQDWSQOKYKF-UHFFFAOYSA-N 423.535 1.488 30 10 HDEE CS(=O)(=O)N[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1656206153 CPUUNGNWOFEYMW-LBPRGKRZSA-N 422.326 1.023 30 10 HDEE C#C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 1661510110 XOHCEMVZCJBKGC-IAGOWNOFSA-N 404.488 1.409 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1661955305 HXTBOPQKFZPGHM-SNVBAGLBSA-N 410.261 1.980 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(CCC(N)=O)[C@H]1CCOc2ccccc21 1663927821 BFHLNSBTFGAYKS-INIZCTEOSA-N 415.471 1.957 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC3(CCC3)S(=O)(=O)CC2)c1 1664471801 HGVPCDCTASMIFZ-UHFFFAOYSA-N 412.533 1.334 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NCCNS(=O)(=O)N(C)C 1672214026 BTRAMKCUNMAFBS-UHFFFAOYSA-N 421.317 1.531 30 10 HDEE C#CCN(C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)C1CCN(C)CC1 1674587098 BZISBGMHHMOYEM-UHFFFAOYSA-N 420.579 1.753 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OCC2CC2)CC1 1674683193 AEQRAISHQLABJC-UHFFFAOYSA-N 410.471 1.232 30 10 HDEE C#Cc1cccc(CNC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 1678737400 OVFRQSYMGVHPDH-FQEVSTJZSA-N 420.517 1.763 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 1681072100 TYFTYILKVIBLLN-WZONZLPQSA-N 423.517 1.808 30 10 HDEE N#Cc1c(CCCNC(=O)NCCN2CCCOCC2)nn(-c2ccccc2)c1N 1682752782 ULQZMBBJTCAEBA-UHFFFAOYSA-N 411.510 1.280 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@H]2COCCO2)c1 1689870201 FKKRUPUPUNFPRC-GOSISDBHSA-N 420.473 1.745 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCCC1 1690022391 CSKKLVFBKMWPDC-UHFFFAOYSA-N 415.501 1.635 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(CCC)C2)CC1 1690142563 QMTQYGOSJUONRV-SFHVURJKSA-N 423.565 1.971 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F 1690175294 UIVJPTCUCMSFLY-LBPRGKRZSA-N 410.487 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690666884 JIYMORPYLZRGLQ-LPHOPBHVSA-N 405.506 1.792 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690668136 UNOOHBYTTJWIRD-MRXNPFEDSA-N 411.510 1.383 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1690669777 OOQNMQOWOAJQDF-INIZCTEOSA-N 414.554 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cc[nH]n2)C1 1690690367 XIJXLUWGGAGXQF-OAHLLOKOSA-N 411.466 1.781 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CC)C1 1690696795 JDIROUAYQNRZBX-JLTOFOAXSA-N 403.483 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)(C)C)CC1 1690722405 ICSRMAYZBRYVSN-UHFFFAOYSA-N 421.571 1.200 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1691001014 AWXATPIBFUJMEB-SJLPKXTDSA-N 416.574 1.099 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705530036 RNYVHCJNZWAAAS-IBGZPJMESA-N 421.549 1.886 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705532337 LZARGVISLMGZAQ-ROUUACIJSA-N 421.567 1.590 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CCc1nnc2n1CCCCC2 1705543209 YYTMQNKHGOLBIJ-MRXNPFEDSA-N 401.515 1.632 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCn1cc(CO)nn1 1705546757 LBTPHBAZELDIMU-UHFFFAOYSA-N 415.885 1.851 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CCCN1CCN(c2ccncc2)CC1 1705549004 CLCGWQVHJQEKQF-UHFFFAOYSA-N 418.549 1.960 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705652881 QLOZLEHGYYQLDK-INIZCTEOSA-N 416.551 1.082 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 1705667767 SESPVUCBCBFABF-ZWOKBUDYSA-N 422.551 1.364 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccccn1 1705895111 ULWDBUURKMENBG-UHFFFAOYSA-N 406.450 1.259 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705900442 DJEYOHJHGKCIEP-JKSUJKDBSA-N 424.505 1.969 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1705977016 ICJGMARJGACSHM-QFIPXVFZSA-N 421.505 1.354 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1706077230 HGHBOBQBUXLTJH-CXAGYDPISA-N 409.537 1.076 30 10 HDEE Cc1c(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1707018043 BJLCKROHVPSHHG-QGZVFWFLSA-N 414.514 1.354 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1710116387 OKOIULGVIQNSHT-SFHVURJKSA-N 407.482 1.899 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2COCCO2)cc1OC 1711731932 AVYNRWUUMNHVJF-HOCLYGCPSA-N 401.467 1.974 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCN(C(C)=O)C2)cc1 1711774433 FOQJNQUIVAWRQB-YLJYHZDGSA-N 424.505 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1722297850 PYZSWOFYQFOKOW-AWEZNQCLSA-N 402.524 1.341 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1722344411 IYURQUGYODTWFX-HUUCEWRRSA-N 403.508 1.524 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1722367643 NJEDGLRMKWPNRM-OAHLLOKOSA-N 405.549 1.790 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1722449270 SGTWZIFOHAKEJJ-SFHVURJKSA-N 423.521 1.359 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722698976 PXKGRFVKKDUTSX-HNNXBMFYSA-N 406.531 1.884 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1722705844 ITEVIXVGIHKFNW-IBGZPJMESA-N 402.405 1.740 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)NC1CC1 1729408232 AJLPPFBGJZJKLG-SFHVURJKSA-N 421.505 1.796 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC=CCO1 1730872489 WRUTZUTZPOGQDE-NZSAHSFTSA-N 416.526 1.524 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740576216 SOQSYEMNVVQZNG-MSOLQXFVSA-N 423.583 1.741 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1740608320 OBSINZFZHRBNTJ-SJORKVTESA-N 419.526 1.877 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740616704 FROXLNSZCIJEAZ-HUUCEWRRSA-N 414.622 1.877 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1740663251 DIKNHVPKWGCJHJ-NRFANRHFSA-N 415.494 1.850 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1740719385 FATXAYKJCGPUPY-UHFFFAOYSA-N 401.540 1.445 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740890028 QQCKUNCGGXWOAQ-OAHLLOKOSA-N 402.474 1.522 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1740960908 FQUGSSFOFLTNNZ-UHFFFAOYSA-N 412.542 1.594 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741436288 JBFQMFRLPJDWGA-DVSFIDLUSA-N 416.526 1.866 30 10 HDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)c1 1742503795 HVXVRMVWTQJVPN-UHFFFAOYSA-N 420.477 1.260 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@]1(C)COCCO1 1744696537 FHPANXLBWNNKAX-QRWLVFNGSA-N 412.498 1.023 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1744749622 ANDIPMGOILSIIE-DLBZAZTESA-N 421.505 1.446 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1747366609 UMCDKULWCBNNCR-WMZOPIPTSA-N 410.478 1.480 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H](C2CCC2)C1 1748751115 CBGOUPBAGPILLQ-ZWKOTPCHSA-N 406.552 1.847 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1748764463 PHPKFAVSNSBUND-FUHWJXTLSA-N 411.510 1.941 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1CCN(C(=O)OC)CC1 1748959175 ONPRFAGVKAIJCI-UHFFFAOYSA-N 412.494 1.905 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749032326 CPNFJZOPECCPNK-BEFAXECRSA-N 402.524 1.429 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749283745 AVXQODPGNIKCJA-CQSZACIVSA-N 403.936 1.742 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1749284216 HTHXQZFMRAVQJY-KHYOSLBOSA-N 409.918 1.740 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749424151 BGQAGDPOOSATGF-SFHVURJKSA-N 424.553 1.834 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1749427273 OACSENZDEDVTBB-HOTGVXAUSA-N 405.528 1.579 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749434618 YOPCHLULCKSLTI-HDICACEKSA-N 404.559 1.912 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749627774 YTHUCIGNLNYMIO-GOSISDBHSA-N 416.570 1.929 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2([S@](C)=O)CC2)C1 1749715490 SQEMAJOQKUNDIM-HPGBDJQBSA-N 401.536 1.956 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCCCO1 1751207476 BTEMRGPSLXEEFO-GOEBONIOSA-N 410.544 1.587 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1760101523 RBPBOSNKAXULHN-JTQLQIEISA-N 415.317 1.043 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1760114962 WFSYSLLELCHEGY-LJHBPXGCSA-N 422.489 1.982 30 10 HDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1760153422 QLWBZUWLXHWZPZ-UHFFFAOYSA-N 402.543 1.234 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1760188019 YZPWUXNPAXPOTN-OAHLLOKOSA-N 419.555 1.153 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1760205946 NPNSYCQHXGOESQ-LPHOPBHVSA-N 412.515 1.355 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(C)=O 1760241267 UVUQXVGJHWGHTK-GOSISDBHSA-N 412.469 1.534 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CC 1760244638 BPCXOPPAMWJMCB-FQEVSTJZSA-N 420.535 1.596 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760441321 DNJKJDIJLUHMEM-KRWDZBQOSA-N 404.540 1.748 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760451246 CVOZDXDNHJREKS-AZUAARDMSA-N 418.586 1.812 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760520088 BWXWOPJGXKKCMP-KRWDZBQOSA-N 409.494 1.234 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1760527420 WJYXFMDQSKRKCL-SFHVURJKSA-N 424.505 1.396 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)N(C)C)CC2)cc1 1760531362 MZUHGKACXIHEFQ-UHFFFAOYSA-N 412.538 1.664 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760534003 YHGOHVBQFFOEBE-KRWDZBQOSA-N 419.551 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCCC2(CCOCC2)C1 1760558429 OOVOOWXDDLZYHD-UHFFFAOYSA-N 412.556 1.812 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)CC1 1766879916 CZHMUZHAYZDCMB-UHFFFAOYSA-N 419.489 1.668 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C(C)C)c1 1768811932 TUMOJKVNSBUWTJ-SFHVURJKSA-N 412.494 1.845 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1769148592 LBCOXFNDTPOHMU-MRXNPFEDSA-N 424.505 1.894 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1c(C)nn(C)c1C 1770177941 WHQJBXFQCVJTFX-OWQGQXMQSA-N 401.515 1.997 30 10 HDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CCOCC(F)F)CCO1 1771539328 UGMRAVXWXAJZDG-INIZCTEOSA-N 407.421 1.910 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1850296622 ALBQWQANXLSYST-LJQANCHMSA-N 421.538 1.974 30 10 HDEE Cc1cc(F)ccc1N1C[C@@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1=O 1850796066 WMXRCDWDRYCOJH-LBPRGKRZSA-N 401.419 1.752 30 10 HDEE Cn1ccnc(N2CCC(NC(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)c1=O 1851602956 BZXOUXUTONPDNX-UHFFFAOYSA-N 411.853 1.352 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ccccc2C#N)CC1 1852289329 WVZKCGUDKUGOLK-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(N[C@H]3CCCN(c4ncc[nH]c4=O)C3)CC2)CC1 1853520576 JCCAHOALHPDVGQ-KRWDZBQOSA-N 421.567 1.231 30 10 HDEE CS(=O)(=O)N1CC(C(=O)N2C(=O)CN(Cc3ccc(C#N)cc3)c3ccccc32)C1 1853807564 XNPKXPCFGUGRJX-UHFFFAOYSA-N 424.482 1.329 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)Cc3ccc(OC)nc3)CCC2=O)CC1=O 1853998550 YNJZVZXDEOKLSK-ROUUACIJSA-N 414.506 1.322 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCc2ncc(C)o2)C1=O 1854083062 YRKXYCJYAAGDJG-SJORKVTESA-N 402.495 1.542 30 10 HDEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1854667499 DGIRHYJAHZDHTQ-CZUORRHYSA-N 409.895 1.266 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855187399 XPLZJEAFGGVRNT-PBHICJAKSA-N 402.428 1.873 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN2CCC(C#N)(c3ccccc3)CC2)CC1=O)n1cncn1 1855842086 ZWPOQPAGMCGGIV-ROUUACIJSA-N 406.490 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1856550724 WLMDVVRUQGFMRP-IAGOWNOFSA-N 416.522 1.997 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(CC)cc3)C2)CC1=O 1856792754 WNKWRLZCSSVKFM-CVEARBPZSA-N 408.476 1.131 30 10 HDEE Cc1ccc(OCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857065997 DKMDUZIZFMKAOG-QGZVFWFLSA-N 419.503 1.314 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cn2cnc3ccccc32)C1)[C@@H]1CCN(C)C1=O 1857263493 HFNCLNFFRRCGOP-VQIMIIECSA-N 409.490 1.130 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N2CCC(CC#N)CC2)C1=O)n1nnc2ccccc2c1=O 1857380472 SHYCMJNMGJLCCT-RDTXWAMCSA-N 408.462 1.106 30 10 HDEE C=CCOc1cn(CCCCN2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870387189 UEHQYLVRMSSTFV-UHFFFAOYSA-N 416.566 1.953 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCN(CCO)CC2)n1 1871676862 WMDBRORPQDZNOP-UHFFFAOYSA-N 424.553 1.350 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccn1 1874471228 VIAXIRFHHRKDPY-SRZZPIQSSA-N 400.464 1.746 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N(CCO)C[C@H]1CCCN1C(=O)OC(C)(C)C 2174784823 RXDIKFGEPVECMI-HZPDHXFCSA-N 403.545 1.806 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1NS(=O)(=O)N1CCC[C@H](C#N)C1 2174789470 QWKRQMFBGBHSDT-RBSFLKMASA-N 400.545 1.948 30 10 HDEE C#CCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180093585 WQTYHLMFTFBKKX-BZUAXINKSA-N 400.541 1.821 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC(CO)(CNC(=O)OC(C)(C)C)CC1 2202906482 JUMGSCGDWPADDZ-HNNXBMFYSA-N 403.545 1.711 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245256725 HSLSGMWYAUKZNK-OCHBPSSRSA-N 412.292 1.747 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)o2)OC1(C)C 2249490365 FVGKXXNFMHOMFB-UHFFFAOYSA-N 416.205 1.862 30 10 HDEE CC1(CCNS(=O)(=O)Cc2cccc(B3OC(C)(C)C(C)(C)O3)c2)OCCO1 2267419073 NPWFWPBHQLCGIN-UHFFFAOYSA-N 411.329 1.558 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282008418 JRNLMHREEUFBAO-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COCC[C@@H]3O)cc2Cl)OC1(C)C 2282305069 SVYHTPIUSXINJF-QWRGUYRKSA-N 423.749 1.129 30 10 HDEE CCN1CC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282331994 USOQMADOQKUJQD-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE C[C@@H](CN1CCCC1)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332389 ZYEGPZXPVBETMN-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(C)[C@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344661 COUXVOGQBKIQEN-OLZOCXBDSA-N 400.375 1.760 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282346060 SUZGHLMOMPVLTG-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282841821 QALXZMGOLGOWCS-QWRGUYRKSA-N 420.793 1.977 30 10 HDEE CNC[C@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282845339 QTSYXGFKAQRMEP-LBPRGKRZSA-N 402.753 1.773 30 10 HDEE CCOC(=O)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282864701 JUSSAIRIWZBDFY-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCO[C@H](P(C)(C)=O)C2)OC1(C)C 2289239533 OAQONVHMYWSRFS-GFCCVEGCSA-N 400.246 1.864 30 10 HDEE COC(=O)c1ccc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1 2296262908 PMDPENFTUGMOIM-KRWDZBQOSA-N 415.398 1.497 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N=[S@](C)(=O)N2CCNCC2)OC1(C)C 2364845835 DGGUQJABCDCLIR-SANMLTNESA-N 400.741 1.584 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365207746 QEKVJDJTUAPSDC-KFWWJZLASA-N 402.557 1.394 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C#CC2(S(C)(=O)=O)CCC2)(OCC(=O)O)C1 2367790408 VRQDGZREBSGCIT-UHFFFAOYSA-N 401.481 1.484 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](C[C@@H]1CCCO1)NC(=O)OC(C)(C)C 2367795402 DSTPVUAIHUVCIP-ARFHVFGLSA-N 400.541 1.617 30 10 HDEE COC[C@]1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCCCN1C(=O)OC(C)(C)C 2367802104 YCZZUVMSQGECKM-KXBFYZLASA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819850 PRHXQXSYEASVDC-RKVPGOIHSA-N 400.541 1.435 30 10 HDEE CC(C)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2370742534 CQBWCMRGGHHJGM-ZIAGYGMSSA-N 401.359 1.827 30 10 HDEE Cc1ccccc1/N=C(/N)NC1=N[C@H](CC(=O)Nc2ccc3c(c2)OCO3)C(O)=N1 40376411 XPZYIQJPZOOXBO-CQSZACIVSA-N 408.418 1.983 30 10 HDEE C#CCn1ncc(NC[C@H]2CN(Cc3ccccc3)CCO2)c(Br)c1=O 311986547 DUNNTKFOILABLD-INIZCTEOSA-N 417.307 1.952 30 10 HDEE CCS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460754179 JSRKPPSEAMSYMC-UHFFFAOYSA-N 417.472 1.733 30 10 HDEE CCOC(=O)c1cnc(N2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)s1 464760826 KFBJCKKAMMDNOM-AUUYWEPGSA-N 407.540 1.885 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F 467145450 AFLQFKQPZJYOKZ-OAHLLOKOSA-N 400.451 1.057 30 10 HDEE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 469883232 UXDHPZKKPUEFKF-VYDXJSESSA-N 405.476 1.211 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)CC1 474206776 AJFRVVVRAOBVTG-QGBXBLEISA-N 423.538 1.785 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCC1 477574381 BYFYSEVTJCJHOE-UHFFFAOYSA-N 408.499 1.197 30 10 HDEE CN(C)c1nccc(N2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 490037579 IBXJBNFEJPKESY-IBGZPJMESA-N 405.506 1.732 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507554338 UWALKSVQWBZRRL-JXFKEZNVSA-N 423.517 1.255 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508472337 JTYZJDHZJJIRLL-MOPGFXCFSA-N 409.490 1.968 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 508690685 KQOKRDNKTLWYHR-LJQANCHMSA-N 419.489 1.766 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 513332526 ROIDKAYWSRBZEU-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE N#C[C@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 520888193 GKAYWVAUHHFLAH-INIZCTEOSA-N 407.492 1.715 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN(C)C(C)C)CC1 522310382 OEVQFUVJNKKACX-UHFFFAOYSA-N 401.555 1.656 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 523464636 SPRAJVGOVLUXRQ-UHFFFAOYSA-N 424.522 1.753 30 10 HDEE Cc1[nH]ccc(=NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1Br 527086695 JYYAOXWIHZRMND-LLVKDONJSA-N 416.283 1.979 30 10 HDEE C[C@@H](c1nc(N)nc(=Nc2ccccc2)[nH]1)N1CCN(c2cccc(C#N)n2)CC1 544881689 MUKOEYLNPYSMMW-HNNXBMFYSA-N 401.478 1.769 30 10 HDEE COc1cc(CNC(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)ccc1C#N 555166860 KQOWRVBIFMPQEI-UHFFFAOYSA-N 413.522 1.797 30 10 HDEE CCN1CC[C@H]2OCCN(S(=O)(=O)c3cccc(Br)c3C#N)[C@H]2C1 559113950 KYQKLNJFDIRUBD-LSDHHAIUSA-N 414.325 1.804 30 10 HDEE N#Cc1ccc(NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1[N+](=O)[O-] 562235535 KSRNHRVQGFQHOY-UHFFFAOYSA-N 416.415 1.723 30 10 HDEE COc1cc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)ccc1C#N 568689669 XSTABGGRLAVEBL-UHFFFAOYSA-N 407.423 1.221 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(CCC(=O)OC)s2)cc1 609888409 LEPTWFAPEHVPMC-UHFFFAOYSA-N 410.477 1.360 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)cn2)c1 609956321 WDOBGLCNUIXLGV-UHFFFAOYSA-N 402.414 1.729 30 10 HDEE CN1C(=O)C[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(F)c1 611104096 NLJUMRBSVFMRKO-UKRRQHHQSA-N 405.817 1.132 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 670204277 XQQGCJWNFDXOCA-INIZCTEOSA-N 423.583 1.841 30 10 HDEE O=C(NO)c1cc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 725341934 CIZLJGXAJSYSDN-UHFFFAOYSA-N 401.379 1.944 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)Cc2cc(C)c(OC)c(C)c2)c1=O 725786078 NYBLXBFSLLNOKO-UHFFFAOYSA-N 400.479 1.259 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 731197499 UVFUHORVKDPSOH-GPAKFWEMSA-N 408.336 1.377 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 734293565 ZAWDENHWTHOISI-UHFFFAOYSA-N 401.444 1.817 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)nc1 735852817 FZWKZUJBPFPGKS-RLBWVDARSA-N 411.462 1.484 30 10 HDEE O=S(=O)(c1ccccc1NN=Cc1cc(-c2cccnc2)n[nH]1)N1CCOCC1 745201603 SUADCBPXMBDMQX-UHFFFAOYSA-N 412.475 1.939 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)cc1 753880589 AFDFCJHJTYSWFR-UHFFFAOYSA-N 411.439 1.830 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)c1cccc(C#N)c1 764038811 XCGDUGMMJPGBAY-MRXNPFEDSA-N 405.432 1.644 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 765123099 IIZOCJBVMOMNAX-RGEXLXHISA-N 406.424 1.393 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C[C@@H]2CCC(C)(C)O2)C1=O 777467532 MTBMQKVSAYWQRT-GJZGRUSLSA-N 418.519 1.811 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1 780921066 SEFZKCUYDKXISH-HXUWFJFHSA-N 412.877 1.710 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2ccc(F)cc2OCC#N)C1=O 783064376 GYIKCOBZPMAISG-HNNXBMFYSA-N 400.414 1.774 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 786469940 VPFJXFNHADNFHX-BPLDGKMQSA-N 423.491 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)n1 788819389 ZQCVBXAJEVQZAZ-UHFFFAOYSA-N 416.503 1.246 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3oc(CC(C)C)nc3C)CC2)o1 789135409 XJZDMZHAMHCGHU-UHFFFAOYSA-N 415.450 1.855 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(C)(=O)=O)s2)n1 789227021 JTAQWYCTARTYGB-UHFFFAOYSA-N 410.521 1.340 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C[C@@H]2C1 797454005 HAGIDSZQGPHSON-HBDYZSFZSA-N 419.482 1.021 30 10 HDEE C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1=O 798581015 ZXRPDQFAIVWXPQ-SFHVURJKSA-N 421.519 1.481 30 10 HDEE C[C@@H](Sc1ccccc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(N)=O 802030556 JAJXCNRKZUOMND-GFCCVEGCSA-N 403.485 1.784 30 10 HDEE COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802431613 WLJPCWWGGKDWRE-APWZRJJASA-N 410.478 1.614 30 10 HDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)NCCn3cnc(C#N)n3)cc2CC1 803553646 PVXOPUKURASLPL-UHFFFAOYSA-N 410.478 1.915 30 10 HDEE CCOC(=O)c1c(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)noc1C 811030442 DONZFMQESZRBDC-UHFFFAOYSA-N 421.431 1.332 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)OCc3cccnc3C#N)CC2)cc1 813164691 VCPMSNTWBKRKNV-UHFFFAOYSA-N 414.487 1.311 30 10 HDEE Cc1ncc(S(=O)(=O)N2CC[C@H](C)[C@H](NC(=O)C(F)(F)F)[C@@H]2C)cc1C#N 813706499 MKLMSNHBIRTEAY-CHIMOYNISA-N 404.414 1.728 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)CC1 814835904 CYXLRSQBQSJPOT-UHFFFAOYSA-N 406.527 1.390 30 10 HDEE COCc1nc(Cl)cc(NN=C(C)c2c(C)nn(CCS(C)(=O)=O)c2C)n1 814976817 LXJZKTCLPBNGPR-UHFFFAOYSA-N 414.919 1.970 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)cc1 816696581 BHSDITOCYNXHJJ-QGZVFWFLSA-N 419.459 1.606 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cncn3)cc2)cc1OC 916922722 DVLRGYMGOHXENI-SFHVURJKSA-N 419.441 1.966 30 10 HDEE COCCn1cc(C=NNc2nc(SCCC(=O)NCc3ccco3)n[nH]2)cn1 1084608841 DKKWUMXDDHSQPW-UHFFFAOYSA-N 418.483 1.485 30 10 HDEE C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1116067008 CTAIVYBRBVDPSZ-NIVDNSEKSA-N 405.476 1.526 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCOC2)C1 1123085970 YWXXBZOQWZLUSN-APWZRJJASA-N 422.493 1.739 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 1128437810 WJZHAJKZMQIFND-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCCn2cnc(C#N)n2)C1 1128719167 IEFNBFRHWTVXBF-QZTJIDSGSA-N 424.505 1.992 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 1132514540 WHLLVVFTVMGVAZ-HSZRJFAPSA-N 402.454 1.953 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC(C#N)(c4ccccn4)CC3)cc2=O)n1 1139101806 CCNBKKCJGPJLFH-UHFFFAOYSA-N 403.446 1.665 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1152213071 LXAXELHHRYTPLC-FQEVSTJZSA-N 417.469 1.895 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCC(=O)N1CCN(c3ccccn3)CC1)C2 1179869839 RDURTDFIRWFFSU-UHFFFAOYSA-N 424.530 1.611 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)OC)[C@H](c3ccc(O)cc3)C2)c1 1195589508 UZIHSKVGSWZNSX-VQTJNVASSA-N 421.453 1.910 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC 1208652317 ZANNWWDUBGSXLC-UHFFFAOYSA-N 401.437 1.230 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCOCC1 1213765530 KDLVJFYYTKGZAM-UHFFFAOYSA-N 411.423 1.831 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)c(OC)c2)CC1 1216474868 WNDOYMZTDMQYCI-UHFFFAOYSA-N 410.496 1.100 30 10 HDEE C#CCNC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1221156066 XUKHZVWMEGIYCB-CVEARBPZSA-N 405.499 1.197 30 10 HDEE C#CCN(C(=O)NCCCN1CCOC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1221761604 SSSWBTMRCDETNY-UHFFFAOYSA-N 408.499 1.873 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1)C1CCOCC1 1231332881 UWAPJFQTVJWQAK-NVXWUHKLSA-N 405.499 1.423 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@]3(CO)CCc4ccccc43)C2=O)cc1 1248376521 ZSOHBGGRKCYPLD-ZJSXRUAMSA-N 418.497 1.835 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CN1C(=O)C(=O)N(CC=C)C1=O 1264281122 UHYZQIDPIYAUGX-UHFFFAOYSA-N 416.386 1.093 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286337192 XYVUTOOMXGKNKA-SFHVURJKSA-N 411.510 1.515 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1nnc(C)s1 1286374937 RSPOUWUVWYLGJP-UHFFFAOYSA-N 423.550 1.924 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(=O)(=O)NC 1286436682 RQZXYWBWUAQXPP-UHFFFAOYSA-N 412.519 1.810 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1286493605 ODQGPJYKSDJTBY-MOPGFXCFSA-N 414.554 1.088 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286509714 WXUROSDDRSSQGC-AWEZNQCLSA-N 410.503 1.683 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286537908 JKZXGFQOVPZDSE-SUMWQHHRSA-N 410.316 1.797 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1)C1CC1 1286738567 XBUYXIWIAJENFX-MRXNPFEDSA-N 423.564 1.876 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Nc2ccccc2)C1 1286786011 MJKAHAUYRANJGP-ZWKOTPCHSA-N 423.521 1.612 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1288212301 HEIBCYZTZVMOMI-GOSISDBHSA-N 412.494 1.583 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1298920361 BCXAIEAGDVOPSQ-ZDUSSCGKSA-N 403.874 1.494 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1300497325 YHPWEXYHNCFTCB-INIZCTEOSA-N 424.567 1.035 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOc2ccccc2)CC1 1300706441 MJDRPNAHURAGPI-UHFFFAOYSA-N 422.533 1.625 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1300710773 KSFBZGKDTRIPGJ-VQTJNVASSA-N 416.570 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)F)CC1 1300719440 AYUZVVWWLDUELB-UHFFFAOYSA-N 406.437 1.521 30 10 HDEE CC(C)(C)N1CC[C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1300725213 YXBRZEFHYVTIAE-AEFFLSMTSA-N 411.506 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(F)cn2)CC1 1300730626 DAAXJQYNPYVHID-UHFFFAOYSA-N 400.458 1.363 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1300754459 QTRQNPKQWMBGGH-GOSISDBHSA-N 411.535 1.961 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1300761299 AWGUIFFQUUEFRF-INIZCTEOSA-N 407.565 1.677 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1301349704 QUHDJLGSSQAUAG-QGZVFWFLSA-N 402.520 1.898 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1301967242 BNIITVWFKFIDHA-ZBFHGGJFSA-N 410.544 1.397 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc([C@@H](C)O)cc1 1302095629 FNHRWXSVORYUCB-MDZRGWNJSA-N 415.494 1.832 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@@H]21 1302495659 RYAFCUWXMLSAGP-SJORKVTESA-N 400.508 1.745 30 10 HDEE CCc1nnc(N(C)CCC2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306085506 CHSAWMBBSDFGHN-HNENSFHCSA-N 402.499 1.620 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 1306894006 MJKYCVYXNVAPFK-GXTWGEPZSA-N 405.398 1.453 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 1310130333 ARWSREYFXMLXMN-KRWDZBQOSA-N 406.508 1.768 30 10 HDEE C#CCN1CCC(NC(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 1311848531 RAXBCGMNKKLTGW-UHFFFAOYSA-N 421.339 1.966 30 10 HDEE C#CCN(C(=O)NCCN1CCOC[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1311893779 IRCSCFOGOJLTRJ-QGZVFWFLSA-N 408.543 1.751 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1314641618 DQRXKQDTDAZPMY-SFHVURJKSA-N 423.521 1.491 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CSCCS1 1316212750 XQMFPUGTLUTMLS-KFWWJZLASA-N 413.569 1.579 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 1320321915 PFBGIEKKEDVQCM-FQEVSTJZSA-N 414.550 1.663 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2)C[C@@H](C)O1 1349632148 UFBMDYVMIPLXJU-CLCXKQKWSA-N 407.492 1.743 30 10 HDEE C=CCn1cc(C(=O)N2CCCc3cc(S(=O)(=O)N4CCCC4)ccc32)nn1 1351605077 QGGIQCKPPVLXNU-UHFFFAOYSA-N 401.492 1.842 30 10 HDEE CC(C)[C@H](NC=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1355062850 WUHAJJKZGYLSTE-VJWQYWRGSA-N 408.524 1.989 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1358872162 POUBYHUMBJMAST-CABCVRRESA-N 405.524 1.598 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358945574 LRIJETFBGGGBSQ-INIZCTEOSA-N 410.503 1.635 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358956909 MHHSBJHHOPQUKG-RBSFLKMASA-N 416.494 1.843 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358961051 QUGXBGYKJVNTHO-IAGOWNOFSA-N 403.508 1.392 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCOC[C@@H]2OC)n1 1359027339 FZLAJAGJLNYALQ-HKUYNNGSSA-N 402.499 1.121 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COc3ccccc3O2)CC1 1359028062 GBJLUDGLQLLTQM-KRWDZBQOSA-N 424.505 1.012 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCOC(F)F)CC1 1359043093 HDJFQLVAQXMDJU-UHFFFAOYSA-N 418.448 1.935 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCc1cccc(C(N)=O)c1 1359073374 NHYJJPJQWRIBAO-HSZRJFAPSA-N 420.517 1.734 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1nnn(C)n1 1359279724 QMTRXDDCLFBRBS-UHFFFAOYSA-N 405.466 1.704 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1359301626 FBGXRBUFGWKDRV-UHFFFAOYSA-N 403.575 1.138 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)C2CCC2)C1 1359321488 HBCZZHVUYSWLHD-ROUUACIJSA-N 403.527 1.870 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1359571994 AMJRZMVKAPPORL-HNNXBMFYSA-N 417.514 1.884 30 10 HDEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1447937636 DSKQGSZHHNEASG-ZFWWWQNUSA-N 409.229 1.244 30 10 HDEE CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1448842414 JBNSARAPMVVEGN-QLBOMPFWSA-N 413.455 1.485 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450337723 FNZFCAAYQDQSPE-HKUYNNGSSA-N 402.447 1.052 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H]1CCN(O)C1=O 1468372093 BDFIJDHYOHDUGH-CABCVRRESA-N 423.267 1.084 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C3CCOCC3)c2C)c1 1468398016 UWIHTIWAUPSTJP-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C(=O)OC(C)(C)C)C2)c1 1469837366 RZNDCTDMUSMSAA-CVEARBPZSA-N 406.504 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)Cc3ccc(C#N)nc3)c3nccn32)C1 1472058116 RFYUIQIBEIDLJM-INIZCTEOSA-N 408.462 1.899 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C(=O)OC 1475469703 FQBQUAREFNACCI-UHFFFAOYSA-N 412.420 1.347 30 10 HDEE CC[C@H]1CCCCN1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1499462194 AROWFBJLQYZGOG-IRXDYDNUSA-N 403.531 1.410 30 10 HDEE CN(C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503405661 ZAPAFEIXORKNDP-MOPGFXCFSA-N 417.558 1.274 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1507513085 HWGLOGWUURQNNW-HNNXBMFYSA-N 411.462 1.780 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@H](C)C2)c1 1507604768 HOFMCSHXGCFPQR-GOSISDBHSA-N 424.549 1.755 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1507605295 SAUCKLHMKPFNCT-RXVVDRJESA-N 405.543 1.501 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCOC 1507643908 VWZXCVSCKQKLHZ-UHFFFAOYSA-N 406.284 1.772 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1507678363 WPFRYBVBYQKVOD-UHFFFAOYSA-N 424.431 1.797 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1507679753 QCVMPNXEMVTWTL-OAHLLOKOSA-N 419.551 1.624 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@]2(C)COCCO2)n1 1507717811 ZDKDZFPSMBIDOO-NRFANRHFSA-N 414.510 1.444 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2cnn(C)c2)CC1 1507727586 JOYLCPGAGQKPCN-UHFFFAOYSA-N 403.534 1.990 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1507771786 CPHKBNPVLPZMHN-DENIHFKCSA-N 414.554 1.328 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507910035 CXKUHTXLCLNPSD-OAHLLOKOSA-N 402.499 1.757 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCSC1 1508085398 UKLFEOMGLSFYNK-INIZCTEOSA-N 411.535 1.761 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCOCC2)C1 1508125653 DSMGBRVCLXBPJQ-GUDVDZBRSA-N 405.543 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC2(CCC2)C1 1508143701 JITOWWFTFQBWHE-UHFFFAOYSA-N 417.535 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508143956 LSCZFRMGBNVKQF-AWEZNQCLSA-N 423.564 1.198 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1508422244 DLVXDUSEYAZHQW-QOSLBHJFSA-N 421.567 1.717 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@@](C)(C#N)C3)ccc2F)CC1 1529651399 MFAPDDXARLWDEM-IBGZPJMESA-N 422.482 1.054 30 10 HDEE C=CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2c2nccn2C)nn1 1532509068 GGPCLPNYHDYCRR-OAHLLOKOSA-N 401.471 1.632 30 10 HDEE COc1ccc(C(=O)N[C@@H](C#N)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 1536416452 UYZMPOCHVGTLLJ-INIZCTEOSA-N 407.492 1.528 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)CC2)C1 1538583512 VVGQFAUTBMDLCA-UHFFFAOYSA-N 401.419 1.909 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539101588 BUXAUQMILUHURK-NVXWUHKLSA-N 413.434 1.627 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(=O)NCC(F)(F)F 1539408773 CDFHTBYEVMTOSQ-UHFFFAOYSA-N 410.400 1.413 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CC1 1539556494 DNVHDCAGCGGRNS-QFBILLFUSA-N 406.552 1.989 30 10 HDEE C=C(Br)Cn1c(CC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539599496 GGPJLDZXEYNESC-CHWSQXEVSA-N 401.305 1.745 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)C)CC1 1539644018 NRJDOBLVTLTGPR-GHTZIAJQSA-N 416.570 1.912 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1539968100 WOZULGZKAPQVEC-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540019742 CXJJNXMDLDCRIL-MRXNPFEDSA-N 401.515 1.971 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1540047697 KGJMEGJAOAUVDE-AWEZNQCLSA-N 412.560 1.159 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1540049111 HBAVDMSUSHTOIC-IBGZPJMESA-N 412.556 1.766 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1540198868 RLGBDUQIRHFZJT-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540872901 FKENIHXKWTYJAV-AEFFLSMTSA-N 423.521 1.680 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)C1 1540891289 RTMWBCOHVHZPNZ-QZTJIDSGSA-N 402.543 1.742 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1540913627 PQSHVWURGOVXFS-INIZCTEOSA-N 405.572 1.755 30 10 HDEE C#CCN(C(=O)CCCS(N)(=O)=O)[C@@H]1CCOc2ccc(Br)cc21 1543685359 DDPOHNOJEOCITP-CQSZACIVSA-N 415.309 1.803 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC 1545242683 YIGHGCIHEDOGMY-IRXDYDNUSA-N 403.479 1.979 30 10 HDEE CC[C@@H](C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545600014 BFXDEAGZQWZINE-KIJUOZEOSA-N 414.510 1.935 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1(C)C 1555168947 SXNFTQMUMIBKEE-PGRDOPGGSA-N 410.522 1.745 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 1557318895 YJOPHKWBWJFACR-RBUKOAKNSA-N 404.532 1.713 30 10 HDEE COc1cccc([C@@]2(C)CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1557505220 QGFVAOPQCHWQNJ-NRFANRHFSA-N 413.499 1.924 30 10 HDEE CN(CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)[C@H]1CCS(=O)(=O)C1 1558164820 MNWGBANQPDZKPT-HNNXBMFYSA-N 400.350 1.190 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1558383043 SJKARSNKVFAZFT-IERDGZPVSA-N 417.462 1.476 30 10 HDEE C[C@]1(C#N)CCCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1566756632 FIVHXYWEYDGAKM-GOSISDBHSA-N 411.549 1.907 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1587759527 WGOTWIUYHCXRSG-KRWDZBQOSA-N 413.526 1.371 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1588420621 IRHKCXOEJHSTAQ-UHFFFAOYSA-N 424.530 1.614 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1588645921 FGKPLSHQFZUHCQ-DLBZAZTESA-N 422.551 1.083 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2(OC)CCC2)CC1 1588923966 RXMQVNRVGOPUBS-UHFFFAOYSA-N 423.521 1.660 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1 1589581209 QIKLOEABSLLIDA-NEPXVJNWSA-N 419.526 1.262 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)CC1 1593735414 FZVWDPJDWLBMMD-UHFFFAOYSA-N 423.477 1.513 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1593735913 UGJIWWSMHSJHSO-GOSISDBHSA-N 413.526 1.629 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1593747228 SBFWBVVPKQDVND-FGTMMUONSA-N 424.567 1.636 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](OCCOC)C1 1593807078 IAPKSXCFXZWFPV-CQSZACIVSA-N 406.874 1.920 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OCC)CCOC1 1594533679 FBPGXFTXBWROSK-IBGZPJMESA-N 412.556 1.767 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595522557 FTZDZTAFPOTILD-NYTJIUQPSA-N 411.506 1.853 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1595555591 DNCWHTZCPFPKQE-HDICACEKSA-N 403.575 1.138 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)Cc1cccc(OCC#N)c1 1596496856 SHXAHXAXKUKUGM-UHFFFAOYSA-N 411.414 1.682 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)CCO1 1596641378 FYZYEWZVABXTJY-FQEVSTJZSA-N 424.505 1.585 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)Cc3c(C)cc(C#N)cc3C)C2)cc1 1598182760 VMAZTRYFRFTFAA-UHFFFAOYSA-N 413.499 1.916 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1598193643 HATDMLHLSAVWFR-QWHCGFSZSA-N 410.920 1.294 30 10 HDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1612748334 BZUKVVBVLJGYPI-FOIQADDNSA-N 415.519 1.603 30 10 HDEE N#Cc1cccc(OCC(=O)NCCNC(=O)c2ccc(Br)cn2)c1 1617400713 JYPCHNUJNRAMAD-UHFFFAOYSA-N 403.236 1.641 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1620053749 VJGDBUCONHPAAL-QGZVFWFLSA-N 408.466 1.235 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@H]2CSCCS2)CCO1 1620355163 HCACWUFHMHQJCR-HOTGVXAUSA-N 402.549 1.841 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](Cn3ccnn3)C2)n(-c2ccccc2)c1C 1620436442 WOJZSYSEENTRKQ-LJQANCHMSA-N 419.489 1.897 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccn2)CC1 1623812584 QBNRODNSUCGVFX-UHFFFAOYSA-N 422.898 1.143 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CSc3ccc(S(N)(=O)=O)cc3)C2)nc1 1625335525 HEOQXBODUIBMMN-CQSZACIVSA-N 418.500 1.373 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCc2cccc(OCC#N)c2)C1 1633472863 FDWDYZDLRBCPSO-UHFFFAOYSA-N 412.450 1.902 30 10 HDEE CN(C)[C@H](CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 1634108973 UAZNWAITTWJTKO-JHJVBQTASA-N 407.437 1.927 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 1635204182 GQALWUKHRQSAKS-HOCLYGCPSA-N 421.519 1.726 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)NCc3ccc(SC)c(C#N)c3)CC2)CCOC1 1638397474 IUONOBPPJKXODT-FQEVSTJZSA-N 418.519 1.439 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1639072427 DNSLBTVFLSYHOU-FQEVSTJZSA-N 405.462 1.839 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3ccc(Br)cc3C#N)C2)cc1=O 1639531661 FMTNKCYBPUZGBX-GFCCVEGCSA-N 418.251 1.129 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 1640645211 CNKQWSNFUUCSHO-KYJSFNMBSA-N 422.503 1.075 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc2c(s1)CCCC2=O 1640888849 HJAZGJDCJLITSE-SNVBAGLBSA-N 404.473 1.839 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)cn1C 1641183244 GNALOWUYNJXRAI-UHFFFAOYSA-N 405.480 1.695 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccncc1)C(=O)OC(C)(C)C 1642009686 BYZODUBCGOXMSO-SJORKVTESA-N 405.451 1.033 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)c1 1643029858 YZTJJZXDRMXDTG-IBGZPJMESA-N 417.531 1.509 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OCC)[C@H](O)c1cccnc1)C(=O)OC(C)(C)C 1643499257 PPPKPXXUWKBKAA-DLBZAZTESA-N 405.451 1.033 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)C2CS(=O)(=O)C2)n(-c2cccc(F)c2)c1C 1644171932 MOOVAKZNAYVVGO-UHFFFAOYSA-N 404.467 1.772 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1644465925 MDGDRFXNIQARML-JYPZYLNESA-N 421.494 1.156 30 10 HDEE C=CCC1(O)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1645230102 TZFSLNAOJFMNPG-KRWDZBQOSA-N 422.279 1.366 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(C)(C)C 1648370696 WZUQJCZUEIPYJH-UHFFFAOYSA-N 417.575 1.742 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2NC(=O)C[C@H]2c2ccccc2)ccc1F 1654088962 CYIRSLKMABTLMU-INIZCTEOSA-N 403.435 1.908 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)nn1 1656352132 DIKMBYPBLYUEQB-UHFFFAOYSA-N 414.871 1.781 30 10 HDEE N#Cc1cc2c(n(CC(=O)N[C@H]3CCSC3=O)c1=O)CCN(Cc1ccccc1)C2 1656748076 PFTBWXACSMPVPN-SFHVURJKSA-N 422.510 1.427 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 1656883515 IUWCTDAYWNTJKI-CANCMXDXSA-N 409.455 1.965 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 1665457243 KYAYAYSUQQJFFA-CYBMUJFWSA-N 415.309 1.612 30 10 HDEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)CC2(CC#N)CC2)CC1 1667255830 HNUZUPPXKNNSRO-QGZVFWFLSA-N 405.520 1.930 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1671301007 JUMIYDJHSOTSDY-ZDUSSCGKSA-N 420.432 1.613 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c1 1674061258 ZCMIATZSGSFKNE-NRFANRHFSA-N 413.478 1.043 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681301908 TVQRIAKFSFZSKY-HKUYNNGSSA-N 408.462 1.570 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F)C2 1681809693 YSEQCCJCTKJVDI-UHFFFAOYSA-N 406.414 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(Cn3cnnc3)CC2)C1 1686054506 AAMVXDNZUDCCAZ-JKSUJKDBSA-N 403.487 1.459 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3nc(CN(C)C)cs3)CC2)c1C#N 1687636974 JDWYCPVCGYFFLG-UHFFFAOYSA-N 402.528 1.150 30 10 HDEE C#CCC1(C(=O)N(CCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)CCOCC1 1687841014 AUJNBELCGLOPFN-RMMWZPCPSA-N 400.519 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1689839018 BRIQJBONUPXSTH-CJNGLKHVSA-N 414.420 1.803 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCCCO2 1689946047 MHAOEVCRRVBWRH-AWEZNQCLSA-N 419.507 1.167 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccc(C)cc1 1689948638 AFBVTXLYHDLECQ-QFIPXVFZSA-N 411.506 1.738 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC1CC1 1689998586 QEQIHFCWBNGYOO-UHFFFAOYSA-N 418.501 1.746 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1690052399 IHSBFVVSZBWPPM-UXHICEINSA-N 410.566 1.984 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690326887 GMBBNUMTWFYNAK-KGLIPLIRSA-N 415.885 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCSC1 1690668920 NPSAJLKTOOQKSZ-LBPRGKRZSA-N 404.496 1.250 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1690671850 ALXTUSDIFHDAIS-HNNXBMFYSA-N 406.531 1.836 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CCC)C2)nnc1[C@]1(OCC)CCOC1 1690678349 TXQAXEPCNSBVAG-JXFKEZNVSA-N 407.515 1.238 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1691361703 STDOMGKAKSKPEI-QGZVFWFLSA-N 411.510 1.884 30 10 HDEE CCOCc1nnc(N2C[C@H](C)O[C@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696271116 RQMXMKLCTRGQDK-VVWDJWGFSA-N 418.498 1.345 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1705481120 ZXCIRAFFTHKTMM-FZKQIMNGSA-N 421.343 1.571 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCN(CC)CC1 1705500808 TVABRPUVZJZAHK-IBGZPJMESA-N 415.586 1.276 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]nc1C 1705590019 YRXSRVUJDHRUSR-MRXNPFEDSA-N 417.539 1.016 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705630879 KBWZPLOTUQPVCM-OPYAIIAOSA-N 404.511 1.944 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)CC(F)(F)F)CC1 1705639090 FYGJGWQORFMOEU-INIZCTEOSA-N 414.476 1.769 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1705776045 VWJMQSSSIOVEPQ-QGZVFWFLSA-N 404.559 1.787 30 10 HDEE C=CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705812203 SUGKRFYYYTWSHH-RTBURBONSA-N 422.533 1.933 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1705876059 OACGBSWKEYZXRZ-DLBZAZTESA-N 409.556 1.079 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC2(CC2)C1 1705896476 NZMXIHCSYUEADT-UHFFFAOYSA-N 412.450 1.772 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCCO1 1705898233 FWFSJNSQSBQHHJ-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCCOC1 1705931917 FTAAMVFBTVONBL-OAHLLOKOSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705937418 SQHWPZJGZJEQAL-HNAYVOBHSA-N 410.540 1.216 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1706072583 FMQYAOULZYTCAW-HOCLYGCPSA-N 405.466 1.454 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1706199867 OFPSZFDAJMGEEU-AEFFLSMTSA-N 424.505 1.605 30 10 HDEE CCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1709088548 DEKDELUXJSMSRW-GOSISDBHSA-N 406.487 1.581 30 10 HDEE CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1709973519 VOEMRAAKWIKCTC-CZUORRHYSA-N 405.480 1.656 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1710894090 CIZFSRIDNQQJSU-SFHVURJKSA-N 421.502 1.420 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1712454289 LBWDUUVZVYNPDT-HRAATJIYSA-N 416.526 1.549 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722335614 VGVOPSWJCWGMPF-INIZCTEOSA-N 402.524 1.147 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1722344962 VYBHJMTVUXOLBX-NRFANRHFSA-N 415.494 1.849 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(OC)CCOC1 1722358141 XUDOBPYNTDRDBL-MRUHUIDDSA-N 419.526 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1722376328 MNXGENQTDSLLFO-GOSISDBHSA-N 417.311 1.175 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(OC)c(O)c2)CC1 1722447469 IHEWIGWJCODMPH-UHFFFAOYSA-N 409.490 1.884 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1722664600 DCHIHHFMGWTCJP-UHFFFAOYSA-N 402.543 1.803 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722687286 RFAHRCXXDDFWPX-UHFFFAOYSA-N 410.569 1.728 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(F)F)C1 1722727555 JHZKIZJTPDJFBY-ZIAGYGMSSA-N 404.483 1.864 30 10 HDEE CC1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1726590124 HJRQROJWFQGTAR-IAGOWNOFSA-N 403.531 1.265 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1728142067 YLVVQFLHIKKFSD-IPMKNSEASA-N 420.558 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)F 1730956569 QZBIEFBMBFEJQE-QEJZJMRPSA-N 414.432 1.741 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740623848 BSDUHXHLIDFYFF-MRXNPFEDSA-N 408.549 1.594 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1740654376 IUAAWWUZTPJEIJ-UHFFFAOYSA-N 417.510 1.410 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1740675675 HJBJYSVLIXTRJA-NRFANRHFSA-N 415.469 1.347 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(C)noc2C)CC1 1740691245 XTCJGOOFGUNROC-KRWDZBQOSA-N 402.499 1.410 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccccc2)CC1 1740694559 MZNDOZQJRVXZCI-AUSIDOKSSA-N 409.534 1.835 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCCOC 1740739053 OUIIXOWZORIMDV-NSHDSACASA-N 410.338 1.270 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCn2cnnn2)CC1 1740836591 PRCKSGFOHFIETI-IBGZPJMESA-N 402.503 1.409 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1740951318 FJALOYYFDMVJEH-OAHLLOKOSA-N 415.494 1.775 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@@](C)=O)CCC2)C1 1740975347 BDQPQORODBIHBS-WVDZOPJMSA-N 404.540 1.761 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)C1 1740981241 OMBLIODWLOXISU-DLBZAZTESA-N 411.572 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC(C)C 1748656616 UIMPMZASEPDKAI-CYBMUJFWSA-N 410.931 1.779 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1748730274 HXHWZDURWWYAMZ-SFHVURJKSA-N 415.538 1.949 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748787772 HTRJBNGXBICTHN-KURKYZTESA-N 421.567 1.446 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCCN(C)C)c1 1748846129 DAWRRLLXRMCPQR-FQEVSTJZSA-N 407.518 1.844 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCN1C1CC1 1748875716 VXUDJPVSFPCLQL-HXUWFJFHSA-N 408.550 1.994 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1748915623 ZPYJYQSBNJXOKU-UHFFFAOYSA-N 403.508 1.180 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC2)CC1 1748979027 TUYRRIGSWCBUBS-RXVVDRJESA-N 403.527 1.110 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1749037441 DVQILPNTJNKQGA-MRXNPFEDSA-N 407.540 1.357 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1749131036 PRSHJCUYLKXWSO-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE C=C(C)Cn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1749207055 AYDZEYDONADSAH-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)CC1 1749298858 VJOVLQQSSQSJDV-SFHVURJKSA-N 408.506 1.988 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1749330564 HFEKMHNRCWBDHK-SFTDATJTSA-N 405.543 1.399 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749373615 PEYUFVHWPPLBGT-INIZCTEOSA-N 415.542 1.559 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(Oc2c(OC)cccc2OC)CC1 1749653106 WCJLOBFYAAYGNR-UHFFFAOYSA-N 415.494 1.954 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749676431 PYXNZHSYNFLTPL-ZFWWWQNUSA-N 424.427 1.722 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)OC(C)(C)C)C1 1749704985 DTERPTVJFDMJDL-INIZCTEOSA-N 417.514 1.985 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1749784546 NRYGTOKMTGXXHY-HNNXBMFYSA-N 413.482 1.234 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccccn3)nnc2N(CCC#N)CC2CC2)CC1 1750191301 GGLCWSSZFYVIDS-UHFFFAOYSA-N 414.535 1.971 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC(C)(C)C1 1750925910 BGQORMNBOVWDGS-UHFFFAOYSA-N 403.531 1.267 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1752335549 LDBRRKPBJASCOR-MQINBFPNSA-N 408.466 1.354 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccoc1 1760197288 SCKQMZUKFKMLCV-UHFFFAOYSA-N 423.498 1.910 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2C)CC1 1760259779 GZCRVLXLEGFCJI-OALUTQOASA-N 422.533 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1760519741 NKWSPSMSEPDVLC-UHFFFAOYSA-N 419.489 1.225 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760524215 RWPORJFUTNDORS-DLBZAZTESA-N 418.542 1.217 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1CC 1762674165 GYAFLLMTRPIMFR-QGZVFWFLSA-N 422.493 1.808 30 10 HDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1766965936 YZCNCHCEWLNNRX-UFOSLELVSA-N 411.466 1.035 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1767749268 KRPJNTAKYCUBOT-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCC(C)(C#N)CC1 1768286150 PRIKEYCERMTSDM-UHFFFAOYSA-N 419.555 1.743 30 10 HDEE CO[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1769100753 IPPMWTIENPINMG-RHRUAYILSA-N 416.526 1.864 30 10 HDEE CNS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769363157 YSZKXUUAUCKQSQ-SJORKVTESA-N 402.524 1.694 30 10 HDEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1770597130 LHOFVBFTOVHIQK-BBRMVZONSA-N 400.574 1.771 30 10 HDEE Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cnc(C#N)nc3)CC2)c(C)c1 1848542719 ZVIVXHROLIHEDG-FQEVSTJZSA-N 418.501 1.919 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)CC2 1849242757 LTFGETIQPMAYJF-KRWDZBQOSA-N 403.439 1.158 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1ON2CC1(C#N)CC1 1851452746 QFTRRBPQTYOQSO-MSOLQXFVSA-N 421.453 1.793 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1852738430 GDSMRUXNXMTCSU-RYUDHWBXSA-N 400.870 1.520 30 10 HDEE Cc1nnc2c(N3CC[C@@H](NC(=O)c4cnc5c(c4)c(C#N)cn5C)C3)nccn12 1852830123 DLEMLJRMAZDQLX-OAHLLOKOSA-N 401.434 1.200 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)OC1=O 1854651309 RDZCBDSPJSHMCO-HNNXBMFYSA-N 413.402 1.627 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)[C@@H]3CCCOC3)C2=O)CC1 1854743502 KKEMATKTNZXUAD-MOPGFXCFSA-N 411.506 1.410 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1COCCO1 1854751151 ZDIUFSITJOLAPP-GOSISDBHSA-N 420.487 1.271 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)C[C@H]3CSc4nccc(=O)n43)C2=O)CC1 1855161467 GRVGEQATKAYYEQ-HOTGVXAUSA-N 402.520 1.840 30 10 HDEE Cc1cnc(C(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 1855448277 RFBYUWPRNIZMII-HXUWFJFHSA-N 405.458 1.941 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1=O 1855552901 NIPARFKYJPJWPV-ZDUSSCGKSA-N 411.430 1.654 30 10 HDEE COc1ccc2sc(N3CC(C(=O)N4CC[C@H](N(C)CCC#N)C4=O)C3)nc2c1 1856542404 JEHMJVAXUSZJFF-INIZCTEOSA-N 413.503 1.714 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)COC1(C)C 1857305038 BARURBRJCBGGIA-JKSUJKDBSA-N 420.510 1.721 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN(CCOC)CCOC)cc1=O 1870385388 VEMZHTOHNSRAPA-UHFFFAOYSA-N 423.554 1.230 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCCCCC2)n1 1871507767 XGFNSUKVBIJUKL-UHFFFAOYSA-N 403.512 1.663 30 10 HDEE Cc1ccc2c(c1)nc(C1=C(N)N(Cc3ccc(S(N)(=O)=O)cc3)CC1=O)n2C 1872729941 BPZRZRQOFFBSEU-UHFFFAOYSA-N 411.487 1.241 30 10 HDEE O=C(N[C@H](CS(=O)(=O)CC#CBr)C(=O)O)OCc1ccccc1 1883385683 DQPIOAQUHMOLNV-GFCCVEGCSA-N 404.238 1.137 30 10 HDEE C#CCOC1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 1963991311 NIJOEWVKVXCNKJ-UHFFFAOYSA-N 418.515 1.753 30 10 HDEE C#CCN(C(=O)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180118952 CALVYZIXYIKLDZ-NEPJUHHUSA-N 412.430 1.481 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(S(=O)(=O)N2CC[C@H](C#N)C2)C1 2199525615 RJTMHOFAOUXFME-CQSZACIVSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2212735974 QYGVFJPVXVLKOC-GJZGRUSLSA-N 405.304 1.773 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243423660 CSVCHZNOYZSLED-NWDGAFQWSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247845946 XTJVYBKJTFGPDU-UONOGXRCSA-N 422.287 1.289 30 10 HDEE C[C@@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247917940 MOXLXTIZHIMNMX-OCCSQVGLSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247919252 UTDWFXPECIRMQR-STQMWFEESA-N 418.303 1.543 30 10 HDEE CCc1nn(C)c(C(=O)N(Cc2ccccc2)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2255822354 LNZXHRVLOABWHR-UHFFFAOYSA-N 424.354 1.896 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2255951143 AAZZRQINNOMYHU-CQSZACIVSA-N 415.342 1.621 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)NCCC#CBr)C1 2258963393 SFYDQMHSMHMCRP-NEPJUHHUSA-N 418.288 1.884 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCO[C@H](CCF)C3)c2)OC1(C)C 2282330721 DCPBHLFHDCPVCM-CYBMUJFWSA-N 405.322 1.796 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)C1CCC1 2282426236 ZVCOAJREJFTQGS-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2C[C@](C)(F)C2)OC1(C)C 2282495197 JDMVIRCLQGHOCL-SXUIPJSXSA-N 404.338 2.000 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282500981 QPLFJXQHKPAMOB-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282508456 WQPJZZCAEYPVPC-NEPJUHHUSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]2(C)CCC[C@@H]2O)OC1(C)C 2282509122 GTDGWVSWKSGIBT-LRDDRELGSA-N 402.347 1.165 30 10 HDEE CCC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CNC1 2282511052 IXVNPZJDAYCGNH-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@@H](C)CC1 2282833152 GANQWFRTQUBNLF-LBPRGKRZSA-N 400.375 1.728 30 10 HDEE C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282838680 SNKVEJMKWMHWOZ-NEPJUHHUSA-N 402.347 1.381 30 10 HDEE CC(C)[C@]1(O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852598 REDXGOKFXGDEHM-KRWDZBQOSA-N 401.359 1.829 30 10 HDEE CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857389 HIKQHNYDIMXQCJ-KGLIPLIRSA-N 401.359 1.971 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CCN2C)c1B1OC(C)(C)C(C)(C)O1 2282869580 FDAJBYNOHVGXGO-CYBMUJFWSA-N 400.375 1.647 30 10 HDEE C[C@H](N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2282881797 CNFWVEHMEKIJSB-LBPRGKRZSA-N 403.375 1.968 30 10 HDEE CCC[C@@](C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406203 VGYVLRCDKDJKFM-MRXNPFEDSA-N 403.331 1.969 30 10 HDEE CCN(C(C)(C)C(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406283 WMEFPZZSOXPDJA-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284411446 KEFZAJOTJHIKIC-ZDUSSCGKSA-N 401.315 1.080 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@]2(C)CC(=O)O)OC1(C)C 2284416104 UHCWHCTYHMVISE-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CN([C@H]1CNCC1(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2289916334 XQBKPRLIEJUBKC-AWEZNQCLSA-N 400.375 1.666 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccn2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296940748 KRMDUSCDYZUIKU-KRWDZBQOSA-N 413.386 1.420 30 10 HDEE COc1cc(C=NN(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1ccccc1 2322992012 HBEVFJFWWRWOSE-UHFFFAOYSA-N 417.374 1.988 30 10 HDEE Cc1cc([C@H](C#CC(C)(C)S(C)(=O)=O)NN)ccc1I 2365198311 ZJXYUGUSYICLAR-ZDUSSCGKSA-N 406.289 1.931 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCC1(C)C 2367814140 BXSHNYPTVKBBLT-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE C[C@@H]1[C@@H](O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2370707780 USDJUOGQBMOPPM-SCRDCRAPSA-N 401.359 1.827 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 25085810 PKZDSHNOBVGXGM-KRWDZBQOSA-N 424.505 1.248 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2cccnc2)C1 203567896 JGBUEIHLQAROJJ-QLFBSQMISA-N 422.445 1.168 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 238821965 CVZCUMDQZWIGQR-CQSZACIVSA-N 403.420 1.797 30 10 HDEE C#CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 320954268 ICNANOHDPARZAA-NSHDSACASA-N 401.238 1.620 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)C1=O 410123245 YSPGDTYMVIRPCJ-WOJBJXKFSA-N 406.486 1.668 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2ccccc2)CC1 427240609 BTLDPPKLRGRQLL-SFHVURJKSA-N 401.536 1.688 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCCCN1C(=O)COc2ccccc21 464418224 AHYGRXOHMCGZLX-UHFFFAOYSA-N 401.444 1.661 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2nc(C(F)(F)F)cs2)CC1 466469146 PMEWGXIWBWNFJA-UHFFFAOYSA-N 405.446 1.334 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)on2)c1 469267978 CUYHCYXATSMPOY-UHFFFAOYSA-N 407.474 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)N(C)C)c2C)CC1 471358272 SKZMPZPLVMVWPG-UHFFFAOYSA-N 402.499 1.540 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)c1C#N 472991293 HICFBCFJZWXRLH-ZWKOTPCHSA-N 412.538 1.678 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1[N+](=O)[O-] 478132937 JRJFNTPRXFRGPY-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@H](CO)Cc1ccc(F)c(F)c1 480781585 VLGWMSXMZQSHQS-GFCCVEGCSA-N 411.386 1.874 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 481790103 RIUDZXPYPBVUIR-GFCCVEGCSA-N 413.224 1.254 30 10 HDEE CC(C)(C)OC(=O)CSCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486001920 IDWWWQLQYTYOAK-MRXNPFEDSA-N 403.504 1.850 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489167675 DHFMTRQSYSGWNF-UHFFFAOYSA-N 414.487 1.482 30 10 HDEE CN1C(=O)C[C@H](NCC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 493983116 CYYJAZAHIWVHQO-LPHOPBHVSA-N 405.861 1.996 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccc1 508959390 FKKOTRCDJOQDEI-GOSISDBHSA-N 419.551 1.866 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Br)c1)C1(S(C)(=O)=O)CC1 510524772 QMNLBVKLRIKLAU-VIFPVBQESA-N 407.311 1.565 30 10 HDEE CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 511312133 AZQUTUKKZVUDKO-ABAIWWIYSA-N 405.929 1.598 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccccc2)c1=O 522384947 BEMNWPSDVKNIHT-UHFFFAOYSA-N 412.511 1.981 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(CN3CCOCC3)cn2)CCN1Cc1ccccc1 538324344 KEPFPWQGWWGHTM-OAQYLSRUSA-N 405.502 1.764 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCCC1 544726584 VJOUFUWMKJRJKI-KRWDZBQOSA-N 424.954 1.898 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)C[C@@H](C)O1 545461898 IPOOQGBMHWATSB-IAGOWNOFSA-N 406.490 1.924 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546213579 IWYAOSDFBOQISX-INIZCTEOSA-N 411.487 1.729 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](CC)C1 549250760 IIEAYNPKPPGJSI-JYJNAYRXSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCCO2)CC1 549609227 XYVSNROKCRKKAB-KRWDZBQOSA-N 413.526 1.267 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2CCCOC)c1=O 549936808 QZBUEBSNZWMLHH-UHFFFAOYSA-N 414.531 1.425 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@@H]2CCOC2)cc1 559198133 UZARIUUSNRCIFZ-KRWDZBQOSA-N 422.489 1.576 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)c1cccc(Br)c1C#N 561541997 BJGVRCOQLUDZJY-QMTHXVAHSA-N 405.314 1.757 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCC1 573964643 PLVICXNRHDREQK-SFHVURJKSA-N 404.536 1.497 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(Br)cc2OC)CC1 582805468 JZGIAWZZRZVCQB-UHFFFAOYSA-N 424.339 1.837 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 583232665 YWJYIUWPBRRMFD-QGZVFWFLSA-N 421.523 1.625 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(CN4CCOCC4)cn3)CC2)c(F)c1 584559491 SMOPMNKQUOIVMP-UHFFFAOYSA-N 409.465 1.887 30 10 HDEE N#Cc1nccnc1OC1CCC(NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 585355341 DVATXZFTEZZNES-UQPPLGOBSA-N 413.478 1.182 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)c(F)c1 586860400 DKFVKWCBRRFXPR-HNNXBMFYSA-N 402.376 1.987 30 10 HDEE Cc1c(NC(=O)Cc2noc(-c3ccc(C#N)nc3)n2)c(=O)n(-c2ccccc2)n1C 609648835 NRAOODDTNQZWBH-UHFFFAOYSA-N 415.413 1.982 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)CCC2 727417865 KSMGEWQIRFMWOL-UHFFFAOYSA-N 417.490 1.786 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 729331993 SNAIOLMVIDUODZ-AEFFLSMTSA-N 403.504 1.579 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 733890656 IFCJSJXPGXXYNX-QZQOTICOSA-N 400.454 1.777 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(CCC)c2=O)cn1 735068498 DPAMGRFKGCLUBE-UHFFFAOYSA-N 413.547 1.488 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)C2CCOCC2)n(Cc2ccco2)c1C 735944661 JJIMMOZJQNWMIM-IBGZPJMESA-N 415.446 1.887 30 10 HDEE Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)s1 746208139 GSYUXAOIMBBXDE-QSJBWMMGSA-N 421.504 1.208 30 10 HDEE COc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1C#N 747447066 TZEUOJRBEXQFAX-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)c2ccccc2OCC#N)c1 750027324 IEFWFHCPSIXRCP-UHFFFAOYSA-N 406.391 1.927 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 754022373 NCPFJGLAJSQTGD-CQSZACIVSA-N 423.491 1.915 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=NOC[C@H](O)COC(C)C)CC2)cc1 768303081 SSCQVKVCIYXXQZ-MRXNPFEDSA-N 400.497 1.638 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 772453815 QDVKWDYLXIDXFJ-CQSZACIVSA-N 408.455 1.416 30 10 HDEE C#CCN(C(=O)NCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCS(=O)(=O)C1 774218115 GYDJKDNPUPKXHT-AWEZNQCLSA-N 408.867 1.722 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 779659189 BABNNGOMSGMNAS-CABCVRRESA-N 423.514 1.024 30 10 HDEE N#CCSc1ccccc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785725899 NSSGSNFZYUEPAS-UHFFFAOYSA-N 416.528 1.912 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790236821 YRZNTMWNGZYKHJ-PMACEKPBSA-N 406.483 1.533 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1OC 794084602 BOPMHXKOSZXJAG-NTMALXAHSA-N 423.535 1.614 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)CC)ccc1Cl 795072890 NEIHLLMDNPDWHH-ZDUSSCGKSA-N 403.909 1.744 30 10 HDEE Cc1ccc(NC(=O)COC(=O)c2ccnc(C#N)c2)cc1S(=O)(=O)N(C)C 795967806 RSSKBFYZXMBCQX-UHFFFAOYSA-N 402.432 1.308 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(F)c(C#N)c3)ncnc1-2 796188646 YOSZKJSGGKDTDJ-UHFFFAOYSA-N 418.230 1.352 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(CN1C(=O)N[C@](C)(c3cccc(C#N)c3)C1=O)C[C@@H](C)O2 797417457 NEMMOXLCBYZUTL-AHWCRGGASA-N 412.490 1.941 30 10 HDEE CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802628971 WUQWCJLQHAMXST-QGZVFWFLSA-N 424.509 1.529 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2C[C@H]2CCCO2)cc1 802687853 YYTBBTHUOZZMQZ-SJLPKXTDSA-N 424.461 1.549 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2C[C@H](O)c2cccs2)c(F)c1 804162807 SZUCMJWMIFLWJP-RDJZCZTQSA-N 417.462 1.726 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCn2cnc(C#N)n2)[C@@H]2CCCO[C@@H]2C1(C)C 804620569 RJMMLJQXFMMIQW-AFBRZQFHSA-N 418.498 1.364 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@@H]43)cc2)c1N 919549219 LIKDBPOFCPBHHN-ROUUACIJSA-N 409.446 1.653 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2)n1N 1084035593 IUAQHXRDKVTGMF-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1OC 1084353199 DBPVTHZSDDSODL-UHFFFAOYSA-N 420.480 1.850 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1124266994 ZFQPPMRRFNAUNH-INIZCTEOSA-N 421.519 1.285 30 10 HDEE COCCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 1125188330 CCDPRXOESGPJSL-PYCFMQQDSA-N 419.507 1.985 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 1132451592 HCZIQKSVSPDUIG-UHFFFAOYSA-N 400.479 1.866 30 10 HDEE N#C[C@@]12CN(C(=O)CCn3c(=O)oc4cc(Cl)ccc43)C[C@H]1CS(=O)(=O)C2 1134274783 AWZPQQHVIMFSTJ-GTNSWQLSSA-N 409.851 1.035 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1136041256 VBRIXKZCEGDZJL-HKUYNNGSSA-N 420.391 1.413 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CC2)c1 1136281869 RRUWLBXOGWIXQL-HEHNFIMWSA-N 406.508 1.303 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1136524663 JWQVKADOISBTHU-KRWDZBQOSA-N 419.323 1.804 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NCC2CCN(CC#N)CC2)cc1 1136779582 YXYXZNKWXSWEHA-IBGZPJMESA-N 416.547 1.952 30 10 HDEE C#C[C@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(F)cc1 1141325422 LFJYQSXCHKQKOG-KRWDZBQOSA-N 409.421 1.351 30 10 HDEE O=C(CSc1nc2ccccc2nc1N1CCCC1)N[C@H]1CCCN(O)C1=O 1141463015 CDKROZUPVIOLNE-HNNXBMFYSA-N 401.492 1.819 30 10 HDEE C=CC1(CC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)CN(C(=O)OC(C)(C)C)C1 1141971856 UFIBELCNPBUFBE-LSDHHAIUSA-N 414.524 1.214 30 10 HDEE C=CCOC[C@H](NC(=O)c1cccc(I)c1N)C(=O)OC 1155779425 MAKJLTQEWUAHJT-NSHDSACASA-N 404.204 1.347 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1156821349 RCXVBVYJUQXQFD-AWEZNQCLSA-N 424.461 1.985 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 1159047907 SEFYICYXILTOFF-KGLIPLIRSA-N 409.508 1.630 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1160815738 FYAWZPKIFFMSMP-ZWKOTPCHSA-N 415.852 1.873 30 10 HDEE N#Cc1cnccc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1166494635 NOXYEIRNGIWSIT-UHFFFAOYSA-N 418.500 1.705 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cnn(CC(=O)NC4CCCC4)c3)CC2)cc1 1168716103 FASGYWPPCFFRKW-UHFFFAOYSA-N 406.490 1.776 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2ncc(-c3ccc(Br)cc3)o2)c1=O 1189745920 PBQJNTSAZPERDE-UHFFFAOYSA-N 417.219 1.340 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 1198195492 YVHLFFCENAWHMY-FTRWYGJKSA-N 401.536 1.044 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCN4CCSC[C@H]34)C2=O)cc1 1226111418 IRQPVMZWYKFEKV-GBESFXJTSA-N 413.547 1.933 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2ccccc2Br)nn1 1252077513 WWWTWEUWCPNIHU-ZDUSSCGKSA-N 408.300 1.877 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1286290013 NCMSXFUXZRDZHI-CABCVRRESA-N 416.503 1.957 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCN(CC)CC1 1286377315 UWEMOZTXPUIRLB-UHFFFAOYSA-N 420.565 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(NC(N)=O)cc1 1286466085 CHKQSWINJNXNOH-UHFFFAOYSA-N 419.489 1.889 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCCO2)CC1 1286473130 PCQBIAQMSPYZKY-UGKGYDQZSA-N 417.554 1.643 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccccc1 1286618677 GNCRVIRBRPRFJI-QGZVFWFLSA-N 408.506 1.781 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286709886 HRYFKTFONSCRQZ-MELADBBJSA-N 417.432 1.978 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC(OCC)C2)C1 1286799740 ZLXOKTHAUQJFAN-ZGGTZUKQSA-N 419.526 1.225 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(N(C)C)CCOCC2)C1 1286803862 HRPPAAKUAATXJJ-SFHVURJKSA-N 415.542 1.571 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1286966528 ABJAKPAPSDBWGK-WBVHZDCISA-N 421.567 1.983 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H]2CCOC2)cc1 1289361067 AMPJHVHENSNSOK-NVXWUHKLSA-N 407.492 1.146 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 1297867976 AQRKYRGMBZYTSU-UIBIWLFHSA-N 404.536 1.158 30 10 HDEE Cn1cc(C(=O)N[C@@H](C#N)CO)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1297879860 GALMAWMVNRZABZ-SJORKVTESA-N 411.462 1.551 30 10 HDEE Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)n1 1298842980 KWJQCQMBFQFKMC-UHFFFAOYSA-N 400.468 1.233 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 1299258248 DAPTYWAAVYQVPP-OAHLLOKOSA-N 415.471 1.546 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n1C 1300163361 QUTAGAHHRSDETK-MRXNPFEDSA-N 419.530 1.749 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCc2cn[nH]c2)c1 1300337348 ZNTNEAUWIPWWBQ-UHFFFAOYSA-N 407.478 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300587295 RJJXZYIHUUPWSY-FQEVSTJZSA-N 420.517 1.222 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300734007 PGSQRQSBFUZELF-OAHLLOKOSA-N 401.540 1.745 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCS(=O)CC1 1300765204 AZAQRQILFHRZHN-UHFFFAOYSA-N 404.561 1.813 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300983883 RMBFHVMFJODPSN-QGZVFWFLSA-N 401.515 1.576 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301248488 FUVUHABGDIYRAZ-HNNXBMFYSA-N 408.528 1.336 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1301278200 HHBFVVJJUWFNAC-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1301295278 HHNYXVHFZWWULM-MRXNPFEDSA-N 400.458 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CC1 1301497119 OXKSVHQMEJEOGF-UHFFFAOYSA-N 407.478 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1301500557 NLXHJHLPLVWAND-AEFFLSMTSA-N 415.469 1.801 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CCOC2)C1 1301566975 REVTUCKPMJQWKJ-KNQAVFIVSA-N 414.506 1.832 30 10 HDEE C=CCOc1cccnc1C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1303018993 NYGVIRVKTPLBSQ-UHFFFAOYSA-N 414.466 1.960 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1305224284 DVMXLBYNDHQRQU-BSXFFOKHSA-N 411.503 1.295 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@H](C)[C@@H]4C)O3)CC2)c1C#N 1313309493 HTDRXEDQKQVWNC-YHXHNGJMSA-N 416.526 1.404 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCCCS2(=O)=O)cn1 1314896394 FTVJJFLLQOVZHT-INIZCTEOSA-N 403.512 1.386 30 10 HDEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n(C)n1 1350734698 MEFYBTKWDPHTCX-LTGZKZEYSA-N 419.463 1.272 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CC1 1358880941 WFXIUWWHRYLLEF-MLNJSSBLSA-N 410.507 1.290 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1358885431 KBWNNDIUPAOFPZ-VBKZILBWSA-N 413.503 1.434 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1358933539 WSZDJOUCGWLGGD-IBGZPJMESA-N 413.570 1.030 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358959170 CYWLPAAGTXSRQC-FOIQADDNSA-N 420.510 1.872 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358961934 HIFCNPYCENPWDB-XLIONFOSSA-N 422.551 1.368 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1359084396 GHMUJLBZLPYCRB-AVGNSLFASA-N 417.329 1.456 30 10 HDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359213252 PAKWEDYWOSGYPA-MRXNPFEDSA-N 407.482 1.838 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1359221602 HLRRAOCEGRDPFW-HNNXBMFYSA-N 402.503 1.479 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1359293847 BPDCGEXGQFDLPJ-AWEZNQCLSA-N 416.507 1.247 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359300698 IOUSHZNVCSIWTF-UHFFFAOYSA-N 409.494 1.704 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1439614828 VLDAVLFBAHUPAW-YWZLYKJASA-N 419.503 1.973 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)c1ccc(OC)c(OC)c1)c1cc[nH]n1 1441087728 JTPWDVFSDYJBFL-UHFFFAOYSA-N 404.423 1.764 30 10 HDEE CN(C)CCNC(=O)C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1444931945 RHGPZFVXBRRTHS-QGZVFWFLSA-N 423.558 1.490 30 10 HDEE C=CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1449227653 SVPAKVFDGGGDIJ-OAHLLOKOSA-N 404.488 1.841 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)[C@H](C)C1)c1cc[nH]n1 1451423777 DRAWZBIAJLIHAY-MRXNPFEDSA-N 413.478 1.426 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CN(C)C(=O)[C@H]2C)cc1[N+](=O)[O-] 1452826531 LVUREUYCTJTKPC-GFCCVEGCSA-N 412.406 1.641 30 10 HDEE CCCCN(C(=O)CN(C)[C@H]1CCC[C@@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1460603119 AQGZPTKWYCSNFN-CVEARBPZSA-N 418.542 1.944 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)c1ccc(OCc2ccccc2C#N)cc1 1462060568 AQGACFUOHLIHMO-UHFFFAOYSA-N 409.442 1.936 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(F)cc2)c1OC 1464941977 LRBAETXFXPNWFQ-HNNXBMFYSA-N 407.423 1.502 30 10 HDEE C[C@H](O)[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1466464748 GVNVTONMDDJCHY-KXBFYZLASA-N 405.520 1.721 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3nc([C@H]4CCCO4)n[nH]3)CC2)c1 1470637097 DFEZZENVWUMSOM-GOSISDBHSA-N 409.494 1.992 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 1471227691 XJKPMSBBSORZKD-UHFFFAOYSA-N 408.480 1.298 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOC(F)(F)C(F)(F)F 1471708311 IMDHWSCPQYYFTC-SECBINFHSA-N 415.340 1.513 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCN(CCF)C3)C2=O)cc1 1472589502 QILHTPCWAZMSFL-WBVHZDCISA-N 401.442 1.313 30 10 HDEE O=C1C=COC2(CCN(CC(=O)N3CCC(C(=O)N4CCCCCC4)CC3)CC2)C1 1473842562 ZSFIDZFINBFJJX-UHFFFAOYSA-N 417.550 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N3CCC[C@@](C)(C#N)C3)nn2)C1 1479249007 MVXXDDUKJBONPD-IBGZPJMESA-N 403.487 1.905 30 10 HDEE Cc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492802011 CZTDWFIUCDSGMY-OZNQOIHVSA-N 400.483 1.366 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(OC)c1 1504997818 FRCJQJUROVQKOM-QFBILLFUSA-N 415.494 1.982 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)CC1 1505143729 BFLLJJHHUSXUBL-UHFFFAOYSA-N 424.477 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCOC1CCOCC1 1507516239 AYLJTCZFEHDAOG-LAUBAEHRSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1507617114 QRZGFBKINQTXLC-ZDUSSCGKSA-N 409.899 1.377 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1507727104 GTDJMICYMRCADS-UHFFFAOYSA-N 406.534 1.784 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507845552 JPWDIZVYOJZOMM-UHFFFAOYSA-N 418.586 1.814 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1507970098 DOCQCHUKTLKEBW-UHFFFAOYSA-N 403.306 1.207 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1508090229 DXSDSQJKXFWIQY-SFHVURJKSA-N 410.478 1.646 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCn2nc(C)nc2C1 1508093188 BLJVPNILSBDILD-UHFFFAOYSA-N 420.521 1.676 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCC(=O)N(C)C)C1 1508132139 RHPQAYRNHGILHE-GOSISDBHSA-N 415.542 1.789 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1513372610 IMAXIOPYEIZQNS-NHCUHLMSSA-N 415.542 1.805 30 10 HDEE Cn1cc(-c2nnc(N3CCCC(C)(C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1517369597 GESIHJKZCMCCOL-ZPHPHTNESA-N 424.509 1.831 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)nn1 1524522885 UBHOKAPCJDRMIF-UHFFFAOYSA-N 402.480 1.967 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(Cl)c(Br)c2)C1=O 1526403491 KCBZALBOXXYMMZ-UHFFFAOYSA-N 401.600 1.985 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3cc(C#N)ccc3F)cc2S1(=O)=O 1528040312 GQADXVHVSBWZIV-UHFFFAOYSA-N 403.391 1.741 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1531976659 MFIBUIUMAJSHGW-HNNXBMFYSA-N 404.517 1.925 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3cccc(Br)c3[nH]2)C1=O 1534544357 LBDOQMDOHJTDBZ-UHFFFAOYSA-N 406.196 1.241 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539111436 VBJMLXVCKSSMID-NRFANRHFSA-N 407.478 1.568 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539216712 WIDDNXKZFZABBG-KRWDZBQOSA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539221701 RFALCPXXJSLRJG-QZTJIDSGSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1539231517 SWGTYTDXFQKHHO-OAHLLOKOSA-N 408.549 1.860 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)NC)CC1 1539470102 KCQPPMPZWQZDDS-UHFFFAOYSA-N 424.505 1.056 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1539563567 ODIKDUFNUDKJIR-JOCHJYFZSA-N 414.554 1.503 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539919154 WGXANYLMKGJKLW-XOBRGWDASA-N 402.499 1.862 30 10 HDEE C=CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539959580 LNAUNISZDJZZQQ-UHFFFAOYSA-N 421.509 1.637 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ocnc3C(F)(F)F)CC2)cc1 1540647684 FYCNWOUWCFXDMJ-UHFFFAOYSA-N 414.365 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1csc(CC)n1 1540868422 FCWFXBUNLOCTMB-UHFFFAOYSA-N 400.512 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnc(C)s2)C1 1540894983 INMKOPRKVBYLFX-OAHLLOKOSA-N 402.524 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540898043 YNEQSUPCYWFDIM-WBVHZDCISA-N 406.556 1.569 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1546731638 DXSOKBLQYTWOEQ-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1547253149 AXSHNPUBVJMFFS-UHFFFAOYSA-N 405.466 1.263 30 10 HDEE COCCN(C)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1555528434 DAVZWZDRKGGEGJ-GOSISDBHSA-N 418.473 1.303 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)COCCO1 1555630398 ZJDNTAJCOADFAE-UZLBHIALSA-N 407.515 1.938 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1555817988 YSQYDKVFBLOSTF-UHFFFAOYSA-N 420.514 1.687 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCCCCO)c1 1555987964 UZWBMVKKRGAHMG-UHFFFAOYSA-N 412.494 1.450 30 10 HDEE CN1CC[C@@H](N2CCC(NC(=O)Cc3ccc(Br)cc3C#N)CC2)C1=O 1556527326 VKPINJZEANULEH-QGZVFWFLSA-N 419.323 1.675 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(N3CCOCC3)C2)C1 1557307466 YWYOGQALRRGOKZ-UHFFFAOYSA-N 405.296 1.300 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1558643068 LJEWBVQCBYSSCZ-OXJNMPFZSA-N 414.487 1.110 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC)CCC(=O)NC 1558651423 FTPXUSQRZNDUJV-OAHLLOKOSA-N 408.524 1.269 30 10 HDEE C[C@H](C(=O)Nc1ccccc1C(=O)NCc1ccco1)N1CCN(C(=O)CC#N)CC1 1559847322 RXHFDKIUFPXZAY-MRXNPFEDSA-N 423.473 1.594 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1585295798 MOCWQEDTRYOFMP-PSKZRQQASA-N 417.466 1.140 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1587830989 GKDNUOLEKACXJY-HNNXBMFYSA-N 405.466 1.001 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1587909366 JODVXPZOVQMQNV-WMLDXEAASA-N 422.530 1.400 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1587984918 OBSINZFZHRBNTJ-DLBZAZTESA-N 419.526 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1588223658 BLSRQOJAKQJZOR-XMSQKQJNSA-N 409.490 1.810 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1589232907 AGXUGDAMUFYUCH-JOCHJYFZSA-N 414.554 1.503 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589449413 DGRSGYYYZNYYIJ-LBPRGKRZSA-N 407.334 1.737 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593878225 FPACOURJRWUJGY-CQSZACIVSA-N 417.963 1.785 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCOCC1)C1CC1 1595064743 ABCXOGBNLXIVRI-UHFFFAOYSA-N 413.526 1.577 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@H]1C 1595302898 GIVQQOPWPSOKFH-GPMSIDNRSA-N 412.556 1.370 30 10 HDEE C#CCN(CC(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC(C)(C)C 1595573665 MSOWHBQKLDNLIA-UHFFFAOYSA-N 424.542 1.526 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1595754317 NAOMYQBUDSZFIT-CVEARBPZSA-N 409.556 1.597 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1595788963 LXBYTOGIRNSRSM-KBPBESRZSA-N 418.585 1.404 30 10 HDEE CC(C)C[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1598568546 VFNDTMXJFBPUCW-QMTMVMCOSA-N 413.540 1.713 30 10 HDEE CC(C)(C)OC(=O)C1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1607512843 YCVBALWAOVLXOL-INIZCTEOSA-N 412.446 1.563 30 10 HDEE CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1611083958 GGRRWDPRIIWTAT-QGZVFWFLSA-N 424.509 1.247 30 10 HDEE C[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCCO1 1611803825 FIMYRZQNQIYQOK-LPHOPBHVSA-N 407.540 1.879 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CS(C)(=O)=O)cc1 1622325260 PUEBMLIHSNZYCR-UHFFFAOYSA-N 401.506 1.197 30 10 HDEE C#CCC[C@@H](O)CNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1626047090 YPASCHGBDIZIJL-MOPGFXCFSA-N 403.523 1.902 30 10 HDEE C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCN(C)CC1 1627147118 IFFBXJXTUUBXJF-GOEBONIOSA-N 403.914 1.317 30 10 HDEE Cn1ncnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1627589675 IYWGSZDVOMFTGL-CHWWFWEZSA-N 402.499 1.651 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nn(CC(F)F)c2ccccc12 1627996076 LCLMUQVNQNXPAQ-UHFFFAOYSA-N 419.413 1.979 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)s1 1629167840 AMUYLOPPFJPIIJ-HUUCEWRRSA-N 415.581 1.370 30 10 HDEE COC(=O)[C@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1629240174 GHDWVOAXSXXGAI-YCTJDYOESA-N 407.467 1.174 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1629894216 DIVIOASVJBFFHS-MJGOQNOKSA-N 420.598 1.816 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnn3c2NCCC3)c1 1630351254 JSBPXAFVJIIZHK-CJLVFECKSA-N 402.480 1.764 30 10 HDEE C=C(CCN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC 1631166577 PECLFTSUGDNTQL-UHFFFAOYSA-N 410.540 1.586 30 10 HDEE N#Cc1cccnc1NCCNC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1631239942 ZQLRWAIZSFOBKF-CYBMUJFWSA-N 405.505 1.083 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3nc(COC)ncc3C2)ccc1F 1631998484 TWYKNFSDSBCMAF-UHFFFAOYSA-N 420.466 1.425 30 10 HDEE C=CCC1(O)CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1638018511 BDLJZKJAVGCDIE-OAQYLSRUSA-N 419.481 1.649 30 10 HDEE C#CCN(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1638048150 AUEGQBHZLWUCKS-CQSZACIVSA-N 401.529 1.512 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 1641976571 NLRNFTCDDGSXNX-UHFFFAOYSA-N 409.467 1.927 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)SCC(=O)N3)c1 1643974475 XUZCXXYSRLFBED-UHFFFAOYSA-N 401.469 1.895 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)cc1 1644443964 VHCMSDHAGMEXKR-HXUWFJFHSA-N 411.527 1.597 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1645726018 CUDGPPYNBQWITE-SFHVURJKSA-N 401.444 1.428 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ncnc(C(F)(F)F)c2Br)CC1 1651496060 YUGXDPYOTKAGRF-UHFFFAOYSA-N 420.233 1.519 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)C2(c3ccccc3)CC2)c1=O 1652997839 GQMOXIWPSFJKKM-UHFFFAOYSA-N 409.442 1.524 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CS[C@@H]2CCCS(=O)(=O)C2)CC1 1656944440 QASWHNRWZJEPGC-CABCVRRESA-N 413.590 1.767 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2ccc(I)s2)CC1 1659770265 JPNOUKKCXSHEBG-UHFFFAOYSA-N 410.302 1.682 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 1663143294 MXKDRACCOLSBRE-UHFFFAOYSA-N 414.549 1.875 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1664764948 QYZHJVQNBXCVJG-NSHDSACASA-N 423.318 1.777 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1689845247 TVNUVCNYBFPBFF-OAHLLOKOSA-N 412.519 1.632 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689979900 IWSCHNIPXJOVMW-QWXGXRTQSA-N 414.597 1.575 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(=O)N(C)C)cc1 1689998547 PDIIKLOWGFHPOT-UHFFFAOYSA-N 421.505 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1690052767 PZZMZKACYCSCSO-UHFFFAOYSA-N 424.549 1.656 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(NC(C)=O)nc2)CC1 1690148578 LSOHYYNEDJPTTP-UHFFFAOYSA-N 409.494 1.208 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCS(C)(=O)=O 1690200379 VPEJJOZPYUMTRE-LJQANCHMSA-N 402.476 1.711 30 10 HDEE C=CCC(C)(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1690428079 CSUBTXGQMCNIAN-UHFFFAOYSA-N 421.505 1.731 30 10 HDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1690531317 IMBOVGGYLIYHER-UHFFFAOYSA-N 402.524 1.912 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@@H]1CCOC1 1690676433 ZTIUCTQVICJOII-HNNXBMFYSA-N 403.458 1.771 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1692657134 DKPATPRRHVVJHP-ZBFHGGJFSA-N 422.468 1.957 30 10 HDEE Cc1cnn(CCn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)c1 1693300753 FIBXEUWVQKOZNA-MRXNPFEDSA-N 411.441 1.930 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696345308 MDTXIKBJCYJZQD-RUNIHZNKSA-N 418.498 1.202 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1O 1697450307 FOLMBELWQWNHAN-HIFRSBDPSA-N 419.507 1.539 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1698203250 YKMJXFBAVVZMTG-WIYYLYMNSA-N 413.478 1.210 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CC2(C(N)=O)CCOCC2)CCO1 1698492427 CKEKFUHPQYSPKU-CQSZACIVSA-N 414.441 1.095 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705515334 AVNMGHJQIWLBOX-DLBZAZTESA-N 400.527 1.726 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 1705551599 PGBNPOGGLDTJFE-ROUUACIJSA-N 407.584 1.618 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705552975 JCULREYARRPDDV-VIFPVBQESA-N 415.807 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN(C)C)c1 1705626377 UFISQSMTPYUMDG-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(=O)NCCc1ccccc1 1705667246 LEIYXAIFAYVRLM-HSZRJFAPSA-N 422.533 1.767 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705729253 QLHIZQRZXXMXEP-CSODHUTKSA-N 421.542 1.782 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)CC1 1705765334 HDPYWFFZMCAPNB-UHFFFAOYSA-N 407.482 1.603 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705810013 KXAXWRXHPGAYOE-UHFFFAOYSA-N 412.560 1.243 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1705835621 PIMKWGWHZGAMKS-UAMJFUFUSA-N 416.482 1.079 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CN(C)C)c1 1706602968 FVXHXMBXFLRLDD-NRFANRHFSA-N 413.501 1.968 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1NC(=O)CC1(C)C 1709142235 UYCIJMKSLPVZPZ-HOCLYGCPSA-N 423.525 1.132 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1710989073 WBTYNGAUVXKPTP-GOSISDBHSA-N 409.494 1.416 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCCC 1722284291 ZVRLHRYGNOCVTB-CQSZACIVSA-N 403.508 1.333 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCc1cnn(C)n1 1722343402 LAFUVSUUHGBUBQ-UHFFFAOYSA-N 417.315 1.877 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1722357188 TYXKRRFGVRKXCZ-UHFFFAOYSA-N 405.506 1.568 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722364142 JFVFYAARWUCSML-APWZRJJASA-N 413.547 1.664 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@H]1C 1722382243 KSNBLDNXGJVXHZ-JTSKRJEESA-N 404.474 1.129 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@@H]1OC 1722385018 XNIIJWZTQJIDMT-YYWHXJBOSA-N 422.485 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCCS(C)(=O)=O 1722386102 PTIVDMJWXMSABG-UHFFFAOYSA-N 404.467 1.504 30 10 HDEE C#CCSCCn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1C(C)(C)C 1722464472 GYMQIPXIOVDPEK-QGZVFWFLSA-N 420.627 1.979 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCOC1 1722468808 QBNLDZKGPJJEBI-NJDAHSKKSA-N 404.511 1.462 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1722550178 HFSYQOIFBMDTIH-UHFFFAOYSA-N 406.874 1.817 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1722680135 YKLUQRQPMCMVCW-QGZVFWFLSA-N 422.493 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1722693706 XZALRBBUOKKDNS-CYBMUJFWSA-N 404.902 1.719 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)C1 1722718540 LCFXOMURZDCYCM-MDZRGWNJSA-N 410.540 1.531 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)CCOC1 1723678280 UDMLOXWQINAISR-VQTJNVASSA-N 424.521 1.339 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1724461188 HGLSWOGEFLWTJC-HZPDHXFCSA-N 412.519 1.886 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CCC2)c1 1730232204 FJMYANXFJDJDTA-ADKRDUOOSA-N 415.519 1.984 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CC=CCC1 1731220867 XTPQEPCFEVZLBO-FMQUCBEESA-N 405.462 1.557 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1740553390 RSSANFRRGYMUPL-HZPDHXFCSA-N 409.556 1.671 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1740560096 BXECGLAXIQDAPD-GOSISDBHSA-N 415.563 1.947 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCNC(=O)c1cc[nH]n1 1740633806 UFKRJXYRAXDRRG-UHFFFAOYSA-N 413.441 1.917 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1740674568 LSADANMVIOEWKS-UHFFFAOYSA-N 419.551 1.825 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2c(C)nn(C)c2C)CC1 1740705635 JWHCKTUCRUKOGI-UHFFFAOYSA-N 411.554 1.841 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCC[C@@H](C)C2)CC1 1740708444 PSMWFUFMLQFDJP-GOSISDBHSA-N 412.582 1.928 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)C(=O)C1 1740723411 PZQLHANDPSKPJG-YJBOKZPZSA-N 419.551 1.180 30 10 HDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740869447 NNLHJPGFXAKVGI-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F)C1CC1 1740909969 FDQKAAOTCBCNTB-AWEZNQCLSA-N 421.498 1.948 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1cccs1 1740960085 KTDJGPIKGMVQOF-ZIAGYGMSSA-N 423.564 1.741 30 10 HDEE CC(C)(C)c1csc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1741156626 DPIIMVXVNVJCNW-OLZOCXBDSA-N 415.523 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCOC[C@@H]1C 1748835862 KUVFPGXLDOVAKQ-SFHVURJKSA-N 423.517 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCN(C)C 1748888964 CMFGASVFDFVQAV-UHFFFAOYSA-N 423.517 1.757 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)COC)CC1 1749016395 CVZQDJBLUSMQCT-UHFFFAOYSA-N 424.549 1.902 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749427361 QFCFEZYUAHRYJV-JKSUJKDBSA-N 414.514 1.670 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnccn1 1749660529 SEXGVWIFYOCKQV-UHFFFAOYSA-N 407.434 1.402 30 10 HDEE N#Cc1cccc([C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CCO2)c1 1750382842 YDMNIJMOMYTNQX-RTBURBONSA-N 424.505 1.841 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)F)CCO1 1750386557 MQANEUJKQQDESE-AWEZNQCLSA-N 408.365 1.864 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc(Cl)cn1 1751193391 BBNGDEMIRFNDSC-NEPJUHHUSA-N 414.923 1.177 30 10 HDEE CC1(C)CCCN(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)C1 1751289703 GPTBHXKUKUQIHZ-OAQYLSRUSA-N 417.533 1.964 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1760100191 RUIJKJXDEMGGNC-JXFKEZNVSA-N 424.567 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1760117686 SAFIALNGIWHSAK-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760161449 JXWRREIXHDAWQS-SFHVURJKSA-N 402.543 1.232 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1760190920 WQOAZJHRBWUMSR-IRXDYDNUSA-N 406.552 1.672 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1760192562 JXRCVIOVPMFXEO-QGZVFWFLSA-N 418.519 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1n[nH]c(C)n1 1760198785 IYVMFYQRJWDJLC-UHFFFAOYSA-N 403.446 1.458 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1760233829 PBVDUOPEBYSQDH-HOTGVXAUSA-N 402.524 1.099 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCN2CCOC2=O)CC1 1760257966 NDLPIEPEMIGBQV-UHFFFAOYSA-N 424.505 1.551 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1760505778 JYPDDGWKJFGDJP-QGZVFWFLSA-N 419.526 1.583 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1Nc1cnn(CC2CCC2)c1 1760526541 BMJXMCODHGQWSQ-UHFFFAOYSA-N 412.498 1.443 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@@H]2C)cc1 1760529293 BVEYMKPTKVSAFJ-MAUKXSAKSA-N 424.505 1.509 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1760529294 BVEYMKPTKVSAFJ-QAPCUYQASA-N 424.505 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1760554491 FFIYKJKQJRCOCW-UHFFFAOYSA-N 405.524 1.825 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C2CC2)CCOC1 1760688971 QMAAASDYLSIVIK-QRWLVFNGSA-N 404.515 1.441 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1760930207 LKYYYPWUYFSKAS-OAQYLSRUSA-N 408.510 1.473 30 10 HDEE CC(C)NC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1761250684 JLGBXKGAVUMUDM-UXHICEINSA-N 422.505 1.675 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCOC2)CCOC1 1761284917 FKKOOBUWFHNMGP-PWRODBHTSA-N 419.526 1.600 30 10 HDEE CCC(CC)[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)OC 1762154430 CEJBJACEEPTVBM-MSOLQXFVSA-N 418.542 1.971 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1763034496 GVZJVJVTADMILE-HNNXBMFYSA-N 421.505 1.542 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1766881495 ZBAUBAQXPBQIRU-ZWKOTPCHSA-N 411.485 1.557 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C1 1767252275 HQHACVOZSPZYDV-QGZVFWFLSA-N 400.508 1.745 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cccc4c3OCCO4)c(C#N)cc2C#N)CC1 1851135621 HJPAIHZOHGBXFF-UHFFFAOYSA-N 404.430 1.600 30 10 HDEE Cc1ccc(-n2ncc(C#N)c2NC(=O)CCCN2CCS(=O)(=O)CC2)cc1 1851242767 WDNHLFIOSSPMLD-UHFFFAOYSA-N 401.492 1.502 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCOc2ccc(OC)cc2)C1=O 1854283144 XDPKRBFJXNVLIP-RTBURBONSA-N 415.490 1.310 30 10 HDEE Cc1cc(N2CCN([C@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)ncn1 1854321083 WMYAVQHNTVMSLZ-IBGZPJMESA-N 404.474 1.610 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccncn1 1854580384 XCCGLTGHLBXTOE-UHFFFAOYSA-N 412.471 1.959 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCC(Cn4nccn4)CC3)C2=O)cc1 1854629803 YJJAHUHPQOXIMW-HXUWFJFHSA-N 406.490 1.622 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCC(S(=O)(=O)Cc3ccccc3)CC2)C1=O 1854831191 FAMAGZGJLQTYET-GOSISDBHSA-N 403.504 1.497 30 10 HDEE CN1CC2(CCN([C@H]3CCCCN(C(=O)c4ccnc(C#N)c4)C3=O)CC2)CC1=O 1854854060 GLWVDACYIHQWOX-SFHVURJKSA-N 409.490 1.419 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CC(Cn4cc(C)cn4)C3)C2=O)CC1=O 1854882012 YIWBQEMNVZMRMW-RTBURBONSA-N 413.522 1.066 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)C2CC(F)(F)C2)C1=O 1854914070 YVULSOKHSXBACI-MRXNPFEDSA-N 418.448 1.422 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)Cn3c(=O)oc4ccccc43)C1=O)CC2 1855176108 FZTMQCSPYFIUJT-WBVHZDCISA-N 408.458 1.738 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCC(Cn4nccn4)CC3)C2=O)cc1 1855196206 LNFMEBHNVHJIJM-FQEVSTJZSA-N 406.490 1.622 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)[C@@H](C)C2=O)c(=O)n1 1855592796 JLSZEQIDEAWNMU-KRWDZBQOSA-N 407.474 1.381 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N(C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1855662724 GFEHHJUTVRPGLK-ROUUACIJSA-N 403.504 1.507 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc([C@H]3CCCO3)cc2)CCN1S(=O)(=O)CC#N 1856058611 MRSCKJYWHFOWBB-MRXNPFEDSA-N 405.476 1.454 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(Cc4cccnc4)CC3)CC2=O)ccn1 1856644020 SMNDPJMJZIWYSQ-GOSISDBHSA-N 404.474 1.155 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1856871705 BTUCNMWVWZMUEP-AZUAARDMSA-N 416.566 1.489 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(N(C)C)ccn2)C1)[C@H]1CCN(C)C1=O 1857046450 SFBWJWAWWKOFQO-LPHOPBHVSA-N 413.522 1.245 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COCc2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857097689 ZHJQXTQNCZGXBZ-VQTJNVASSA-N 413.518 1.687 30 10 HDEE Cc1ccccc1OCC(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857114696 SGCIVNMIUNIAFV-SFHVURJKSA-N 406.442 1.531 30 10 HDEE CCOc1ccc(/C=N/NC(=S)NCCN2C(=O)CSC2=O)cc1OCC 1860499807 WWXXBWUUAGLYEI-VXLYETTFSA-N 410.521 1.977 30 10 HDEE N#Cc1nnn(-c2cccc(F)c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870144051 MCFBPYPCGBRSLT-UHFFFAOYSA-N 404.361 1.903 30 10 HDEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870692410 NGZAFZGOUDXNQA-UHFFFAOYSA-N 412.490 1.693 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOC)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871686396 IQQFOMMBLOTLQR-UHFFFAOYSA-N 400.483 1.713 30 10 HDEE COC(=O)c1cc(C(=O)OC)cc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c1 1872730368 DIEDRVVQKDVTGS-UHFFFAOYSA-N 420.425 1.863 30 10 HDEE C=CCN(CCC(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885966845 BUFBNFKRGIXQEA-CQSZACIVSA-N 401.504 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC#N)CCN1C(=O)OC(C)(C)C 1954224491 HGGRLWGGUVYMRP-UHFFFAOYSA-N 404.489 1.545 30 10 HDEE C#CCC[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984839543 LGNGPKLAYMRXHR-QZTJIDSGSA-N 417.506 1.995 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010395846 LGOQYFGYGQBIBV-CYBMUJFWSA-N 422.291 1.254 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1 2174771311 KDRRKHKNHATNKD-AREMUKBSSA-N 422.573 1.869 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)N1CCC[C@H](C#N)C1 2174781731 IOXHERPFUOXCPV-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(F)(F)F)N(S(=O)(=O)N2CC(C#N)C2)CC1 2174790175 ZPOGCCIWGQJSEU-LBPRGKRZSA-N 412.434 1.560 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@]1(F)CN(S(=O)(=O)N1CC[C@@H](C#N)C1)C2 2198269164 CWFRNZXEINNQSH-JQFCIGGWSA-N 402.492 1.548 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2235421801 SFSQDHIOBXCAKU-KGLIPLIRSA-N 401.359 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243686082 HKDNXXBIMDCIAK-NSHDSACASA-N 424.332 1.455 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2247778571 DQYPTNSVEZAGCR-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE Cc1cccc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2247931194 XIGXVZZRFOCBSR-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258159182 BNQDKKGRYZVYEX-GOEBONIOSA-N 409.464 1.321 30 10 HDEE C#CCCN(C(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258166868 AOEJSOJANQSTPX-QGZVFWFLSA-N 410.492 1.518 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)cc2)OC1(C)C 2267714473 KHSLYTVZHLMTHY-MRXNPFEDSA-N 409.313 1.512 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720412 AZWJVYOKLLELED-NEPJUHHUSA-N 405.372 1.456 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270513893 LBCDSCSYNDMOAF-MSOLQXFVSA-N 422.503 1.868 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@]3(O)CCCNC3)c2Cl)OC1(C)C 2281936984 UKOSXZOAAYPNHW-KRWDZBQOSA-N 400.737 1.545 30 10 HDEE CNS(=O)(=O)C1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281938155 KEGGAMQEPSDOKM-UHFFFAOYSA-N 420.749 1.074 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@](N)(C(=O)O)C3)c2Cl)OC1(C)C 2281942662 BZTXGMZRPABHCA-INIZCTEOSA-N 400.693 1.329 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CN[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314533 AWFIDDKQTLOVJG-CHWSQXEVSA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)CC1(C)C 2282328346 WDUHAPCUMRWOIV-GFCCVEGCSA-N 401.359 1.890 30 10 HDEE CCN1CCC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282329418 LWZOVCYOHHWJRA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@](C)(N)C2CCC2)OC1(C)C 2282333021 JKCSHSGHNCSNQK-QGZVFWFLSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCC2CCNCC2)OC1(C)C 2282336957 IELWVVXKEVFZRM-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CN([C@@H]1CCC[C@H](N)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337387 LAAYUYIFGPSQOP-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE CCN([C@@H]1CCN(C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337933 NUZQDVWHKYKTRP-CQSZACIVSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCC[C@@H](O)C3)s2)OC1(C)C 2282341572 UQGOUUCFRFRTCR-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE CNC[C@@H](C)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282496276 YDECWLLYWHDGRB-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282837063 AZJGUJHOBXCSOA-ZDUSSCGKSA-N 401.359 1.651 30 10 HDEE COC(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)OC 2282840970 QZCBBYGNJNMECR-UHFFFAOYSA-N 405.709 1.536 30 10 HDEE CN(C[C@H]1CCCCN1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847624 BKDZBDVAAVLVFT-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC(C)[C@@H]1NCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851527 DBRFFANMVZAOBZ-ZFWWWQNUSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS[C@H](CCO)C2)OC1(C)C 2282858319 VDGQAIOMVAYQPT-GFCCVEGCSA-N 419.399 1.536 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]34CO[C@](CF)(C3)C4)c2)OC1(C)C 2282858634 ZXSNKCLVKFNZTJ-WKILWMFISA-N 403.306 1.597 30 10 HDEE CN1CC[C@H](CN(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282862432 CKQDYHQOQBLSBA-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CC(C)[C@]1(O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282867116 UGJOBIKIWPORKG-KRWDZBQOSA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](N)[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282871869 MTXTVMDBJHLIGH-ZWNOBZJWSA-N 400.375 1.632 30 10 HDEE CN(C(C)(C)C(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284396581 WYSJTOJDNDQSCL-UHFFFAOYSA-N 404.319 1.067 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816278 YOBHSBLEQJDXJO-INIZCTEOSA-N 406.504 1.537 30 10 HDEE C=C(Br)CN(C)S(=O)(=O)c1nc(NN)ccc1Br 2319559073 FKEIYOHHLBBADJ-UHFFFAOYSA-N 400.096 1.659 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2O)CC1=O 2329013090 VJYBVGMAPISHMO-ZDUSSCGKSA-N 402.480 1.168 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@]1(NC(=O)OC(C)(C)C)CCSC1 2342036851 HYTWTGHXHTXERG-WMLDXEAASA-N 402.582 1.946 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362567325 QKCJRSCTPCPQHM-LLVKDONJSA-N 402.347 1.384 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@H](O)c1nn(C)cc1I 2363673032 JRCYONPIKFLMSD-GWCFXTLKSA-N 402.261 1.463 30 10 HDEE COC1(CNC(=O)OC(C)(C)C)CC([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367793217 USJILTLUAJKRQX-SWKXRBFHSA-N 400.541 1.604 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367794547 ICZBIIGZLJJGMS-CVEARBPZSA-N 402.557 1.865 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825377 ZGPXGTWXSNULHA-KHYOSLBOSA-N 400.541 1.292 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372918178 YWDXEYZVKXEIEU-RDTXWAMCSA-N 402.513 1.209 30 10 HDEE COCc1nnc(CSc2nnc(N/N=C/c3c(C)nn(C(C)C)c3C)n2N)o1 20912040 VNGFMMBTOQLLOL-NGYBGAFCSA-N 420.503 1.654 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 53310475 YQTWVABCSAEEKJ-UHFFFAOYSA-N 400.504 1.879 30 10 HDEE CS(=O)(=O)N1CCc2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 461300843 YRAOFPHERRKXCW-UHFFFAOYSA-N 408.443 1.713 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1C 466867191 OMNAARLXSWODER-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CNC(=O)Cc1nc(CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cs1 470970404 SQIMMJMUXFZJFI-UHFFFAOYSA-N 412.475 1.873 30 10 HDEE CCc1c(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cnc2c1c(=O)n(C)c(=O)n2C 472267573 AJKWFABKXOOVJT-HSZRJFAPSA-N 417.469 1.376 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CCC(=O)N(C)C)CC1 473409889 LRQSEHLAVBAZJJ-UHFFFAOYSA-N 402.495 1.348 30 10 HDEE CC[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 474497620 KIQDHBZTKIGRQF-LJQANCHMSA-N 400.479 1.748 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@](C)(C#N)CC(C)C 476255575 HANZDDJRLKMSKB-IBGZPJMESA-N 409.508 1.774 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482185054 XHZQNSIPQKOVGD-PBHICJAKSA-N 406.508 1.084 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 487869924 GIYFRAIAGMZJAW-UHFFFAOYSA-N 403.479 1.870 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)CC(=O)Nc2ccc(Br)cn2)cc1C#N 489245908 CJGIQTMWVGZOCI-UHFFFAOYSA-N 424.280 1.678 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490355474 SNHGZHAGGXYCHO-AWEZNQCLSA-N 401.448 1.115 30 10 HDEE COC(=O)C(C)(C)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 494452551 OJCIZWNRZQFTJE-QGZVFWFLSA-N 416.522 1.900 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1C#N 508494027 ZRUXELALHRRGLG-CYBMUJFWSA-N 417.535 1.586 30 10 HDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 517815532 WVMSYGLSCDMMEL-MRXNPFEDSA-N 422.470 1.285 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(-c2nn[nH]n2)cc1 520304930 IBIILAMTTYMGNY-UHFFFAOYSA-N 401.434 1.647 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@@H]3S(C)(=O)=O)cc2C1=O 532119097 ZYYQKRVRDBKGGO-IRXDYDNUSA-N 404.488 1.896 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(C(=O)NCC(N)=O)cc3)C2)c(F)c1 553239088 YVESCYLQRFPTAX-HNNXBMFYSA-N 409.421 1.377 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)c1 556900782 GZWNPXQPSOBPRE-UHFFFAOYSA-N 423.498 1.567 30 10 HDEE CCN1CCN(CCc2noc(-c3cnc(C(F)(F)F)c(C#N)c3)n2)C(=O)C1=O 570702809 XWKXGKRMMVBZCF-UHFFFAOYSA-N 408.340 1.255 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C#N)C(C)(C)C 574192996 GDJRJABDRPTOTR-GOSISDBHSA-N 422.551 1.689 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C[C@@H]1CCCO1 579306591 KPVLALGMFMEFHT-SFHVURJKSA-N 423.538 1.217 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(C(=O)CN(C)C)CC1 609635236 GBMYKPAKIKANTK-KRWDZBQOSA-N 401.511 1.036 30 10 HDEE N#Cc1cc(CN2C(=O)N[C@]3(CCS(=O)(=O)c4ccc(F)cc43)C2=O)ccn1 610955289 HYQBLVLOLAXQSV-SFHVURJKSA-N 400.391 1.217 30 10 HDEE CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cccc21 612535621 IPAZWZLSUGROKA-UHFFFAOYSA-N 416.434 1.274 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 669817817 SGKJWMUXNVHKFM-DOMZBBRYSA-N 408.532 1.124 30 10 HDEE CC(C)[C@H](OC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N(C)C 733833658 ZSSUZKFPGGRFEO-WBVHZDCISA-N 400.435 1.419 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(C3CC3)c2=O)cn1 735067908 BFWWZNVDJJGKKI-UHFFFAOYSA-N 420.498 1.388 30 10 HDEE O=C(CSCC(=O)Nc1ccc(F)cc1)NCCN/C(O)=C1\N=CC=CC1=O 735116265 FRUYJCNQNZSTGQ-ISLYRVAYSA-N 406.439 1.140 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(c2ccc(C(N)=O)cn2)CC1 739835556 BPRXLWWRCDSQKE-UHFFFAOYSA-N 402.462 1.399 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccc(Cl)cc1 741340477 DBIFJAGVJODIHF-JFLJVCDGSA-N 405.838 1.804 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741448687 CYBNRAROIVDKME-GOSISDBHSA-N 411.531 1.971 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@H](c2ccc(F)cc2)O1 745814444 ZNSNLLXQHGUDKR-AXGWPDIGSA-N 402.426 1.824 30 10 HDEE COc1ccc(COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1C#N 747068670 BNJGYBKZUJNRAS-KRWDZBQOSA-N 421.409 1.540 30 10 HDEE CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 752394967 UYMONKHDLUGDFO-AWEZNQCLSA-N 424.910 1.271 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 758231784 NHEUWHITWKVHIB-SFHVURJKSA-N 418.542 1.933 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccnc(-n3ccnc3)c2)[C@H](C#N)C1 758433747 WYNYKMMZUFRSML-HZPDHXFCSA-N 411.466 1.826 30 10 HDEE COCCCS(=O)(=O)NCC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 770175460 FUBJEQLBDPGOIK-UHFFFAOYSA-N 407.517 1.859 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H]1CCS(=O)(=O)C1 774149235 VGVNZSAARGNJKZ-VQIMIIECSA-N 406.504 1.987 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cc1 780946131 VPPOMTWVLHBWAI-FQEVSTJZSA-N 413.499 1.702 30 10 HDEE COC(=O)CCN1CCC(=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 788703166 CSJLDRPVYBGUAQ-UHFFFAOYSA-N 423.539 1.683 30 10 HDEE COC(=O)CCN1CCC(=NNc2ncnc3c2c(Br)nn3C)CC1 788715470 YQTKBXWALMLTNK-UHFFFAOYSA-N 410.276 1.553 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)CCCS(=O)(=O)N(CC#C)C1CCCC1 799790875 NNRYZHPJFSYEIF-UHFFFAOYSA-N 414.593 1.792 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 804454787 SVXCMDZCCJTGOK-QGZVFWFLSA-N 419.485 1.742 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 805835907 WFKYWNAXHARGGH-ZWKOTPCHSA-N 406.508 1.455 30 10 HDEE CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780445 AKFXOSJNENTVEI-BQASMSSTSA-N 421.498 1.603 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC([C@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813753547 GKUCTWABYJNHGN-MSOLQXFVSA-N 413.478 1.363 30 10 HDEE CC(C)(C)n1cc(C(=O)NS(=O)(=O)c2cncc(C#N)c2)c(Br)n1 813981435 AUXQILZRFMIDAS-UHFFFAOYSA-N 412.269 1.786 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2ncc(C#N)cc2C)cc1 816661732 WGEUWUBEPMYFOI-CQSZACIVSA-N 410.430 1.822 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2Cl)C1 816692544 QIAZFMJMGKDSPV-BXUZGUMPSA-N 415.899 1.481 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4ncccc4C#N)CC3)c(=O)[nH]c21 900283116 YMYWPXCRVCLDBM-AATRIKPKSA-N 417.473 1.934 30 10 HDEE CCOC(=O)c1csc([C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 920328986 WIACDOZMFLYTDP-WZEQGRABSA-N 418.475 1.997 30 10 HDEE C=C(C)Cn1c(NN=C(C)c2cccc([N+](=O)[O-])c2)nc2c1c(=O)n(C)c(=O)n2C 1081159667 ZVPVDXGXJWXSMU-UHFFFAOYSA-N 411.422 1.754 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cn1 1084061252 DDVVAZJOSZBWJM-UHFFFAOYSA-N 415.458 1.690 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1116553349 VNSKCQVKKGQBSQ-OALUTQOASA-N 417.506 1.847 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2OC(F)F)nn1 1129930697 PCVWFDBTRQUYGR-OAHLLOKOSA-N 405.405 1.987 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)NCc3nnc4n3CCNC4=O)c2)cc1 1132959448 VPBBZWPYGJGYEP-UHFFFAOYSA-N 402.414 1.402 30 10 HDEE C[C@@H]1C[C@@H]2CC[C@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CN2C1 1136149676 UPTUZJYMGJTNLX-NEWSRXKRSA-N 416.547 1.512 30 10 HDEE N#Cc1c(CCCNC(=O)c2cc3c(nc2O)CCOC3)nn(-c2ccccc2)c1N 1136182956 MCRLBLVBZAFUEW-UHFFFAOYSA-N 418.457 1.862 30 10 HDEE C=CCCOCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1138032552 JQKUNXWNBVMJJU-BZUAXINKSA-N 416.540 1.366 30 10 HDEE CCOCCOC[C@H](O)CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1139766369 OEQZOYNKFPRSJR-QGZVFWFLSA-N 407.316 1.438 30 10 HDEE C#CCN(CC(=O)N(CCN1CCOCC1)[C@@H]1CCSC1)C(=O)OC(C)(C)C 1141598088 OWOKDSPMFFPVKU-QGZVFWFLSA-N 411.568 1.523 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1146477459 GMCQBCDICIICOM-GUYCJALGSA-N 421.519 1.942 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](CC(F)(F)F)O[C@H](C)C1)c1cc[nH]n1 1148489114 BJNAXPYQOPASJL-MNOVXSKESA-N 406.361 1.262 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2COc3cc(F)c(Br)cc32)c(=O)nc1O 1155538136 CYOJLNDOGIWGGM-GFCCVEGCSA-N 423.198 1.362 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)c2C1 1156248047 XBCPNRVFEGYZGI-AEFFLSMTSA-N 421.505 1.565 30 10 HDEE CC1(N2CCCCC2)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1161780171 HXPKIBFTZVSPSG-UHFFFAOYSA-N 404.536 1.704 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(c3nccnn3)CC2)CCCN1C(=O)OC(C)(C)C 1167738492 IWSPMVCRHANWHL-HXUWFJFHSA-N 400.483 1.313 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@](C)(C(F)(F)F)C2)s1 1174601958 UPAPIQFCNGZWFN-CQSZACIVSA-N 412.455 1.935 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)C1 1175502064 BTYDWHLTCJEFDB-VFNWGFHPSA-N 414.462 1.724 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCC(C)C)c(OC)c2)CC1 1175515010 NPZUZFYJRJJZJN-UHFFFAOYSA-N 423.535 1.346 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OCC)C[C@H]1CO 1180244852 RFUOUMVDQXNSIE-JYJNAYRXSA-N 413.515 1.801 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(F)cc1Br 1185675594 RANPIVPUHLUEFZ-ZDUSSCGKSA-N 424.313 1.540 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1191302467 VCSBIOZBTSIEBK-QGZVFWFLSA-N 405.520 1.768 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 1192214115 GTVBQIGYBOMQTR-UHFFFAOYSA-N 418.515 1.878 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1193752292 PPTGABVMCLHPPJ-UHFFFAOYSA-N 402.925 1.790 30 10 HDEE C=CCc1cc(CNC(=O)NCc2nc(O)c3c(n2)CCOC3)cc(OC)c1OC 1221553705 OVSIEOPLLUHKLY-UHFFFAOYSA-N 414.462 2.000 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 1286428623 ODCFJIPGHLYEHM-UHFFFAOYSA-N 419.577 1.753 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)C1 1286612813 KDJAIZDZUBDSBB-UHFFFAOYSA-N 401.467 1.395 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C1CC1 1287009399 XAFAAVRRKDOSPT-UHFFFAOYSA-N 422.537 1.695 30 10 HDEE C[C@H](CN1CCCC1=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1292474765 NCSKKJVBCMGXOO-GFCCVEGCSA-N 405.296 1.884 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1conc1COC 1293110880 GGSPBMGZNOBFKK-UHFFFAOYSA-N 408.466 1.616 30 10 HDEE O=C(NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)c1cccc(C#CCO)c1 1297461315 UHZWDSAUMJGGCO-NRFANRHFSA-N 424.472 1.617 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1298791060 UFSGRXDDKINWMT-GOSISDBHSA-N 408.466 1.636 30 10 HDEE CN(C[C@H](O)c1cccc(Br)c1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1299320508 AOGYZRJMZAAHLJ-HEWTWTGNSA-N 422.279 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)OC(C)(C)C 1300332144 YGKXMSZZGFBWOR-JYJNAYRXSA-N 407.515 1.985 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CC1(N2CCCC2)CCOCC1 1300432167 RYDCXAUTBNXBJR-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1300465309 LHXVWSUINRQGTH-CQSZACIVSA-N 418.475 1.057 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300491314 GWKLOLLQHUXRMZ-SJLPKXTDSA-N 405.568 1.514 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1300502274 KQMXXFUTRIYUFZ-OXQOHEQNSA-N 423.535 1.140 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)N(C)C)CC1 1300718839 GULPRZZYRNIHKP-UHFFFAOYSA-N 422.533 1.698 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1300755131 MEKHPMWHSUNGCP-UHFFFAOYSA-N 414.539 1.039 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)C1 1300887999 HENRFZPYAOTNPO-DYESRHJHSA-N 411.506 1.795 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 1301148479 OZXZEBMUVWZNAA-QGZVFWFLSA-N 412.542 1.892 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301196504 CQVVXRGUOGFTAC-CABCVRRESA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301500888 QNWXKGUAALYAKT-DLBZAZTESA-N 415.498 1.133 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)c2cccc(C(F)(F)F)c2)CC1 1302925093 WHFKARCIMNPMCR-AWEZNQCLSA-N 417.453 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)Nc1cccc(CC#N)n1 1303021001 ZTRXRESVRXYEOI-OAHLLOKOSA-N 401.467 1.992 30 10 HDEE CC(C)SCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1303578501 IAKRHMVUCPRKAL-BBRMVZONSA-N 401.533 1.764 30 10 HDEE C#CCN(C(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CCN(C)CC1 1304000496 NZQHKVBZRGHXBK-UHFFFAOYSA-N 406.280 1.950 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1304760967 WUGSUGQPLDRURA-HNENSFHCSA-N 410.482 1.266 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cc(Cl)ccn1 1306895706 TWAHLYKXQRHTBC-UHFFFAOYSA-N 416.821 1.369 30 10 HDEE CO[C@H]1C[C@@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)Cc3cccnc3N2C1 1307999534 MEEJPWWAUDTAQJ-MOPGFXCFSA-N 412.515 1.836 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H](NC(C)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1308074449 BZIREYFRSOHUKA-SFHVURJKSA-N 420.554 1.448 30 10 HDEE C=CCn1cc(CNC(=O)NCCCNC(=O)c2cccc(Br)c2)nn1 1311816491 HPRNINATKWYFKG-UHFFFAOYSA-N 421.299 1.846 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)Cc3ccc(F)cc3)C2=O)cc1 1312624983 HGZRXHXINWGBGN-PMACEKPBSA-N 410.449 1.701 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1312898790 UJNKULVRLYOCFS-DZKIICNBSA-N 408.499 1.097 30 10 HDEE CCOCc1nnc(N2CC[C@](C)(N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1314332228 WTMJWDMYBJZYIE-FQEVSTJZSA-N 400.483 1.629 30 10 HDEE COCC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1315845844 AVRYAXZEZRXVIF-IRXDYDNUSA-N 405.499 1.344 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nccs1 1316208563 FPPDFOBDMYEHPE-CABCVRRESA-N 406.512 1.820 30 10 HDEE Cc1c(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cccc1C(=O)N1CCOCC1 1318851327 AESWMZYBIRUVAM-FMQUCBEESA-N 412.446 1.322 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H](O)C1 1358880751 RXUQIQSPCQGCGM-TXPKVOOTSA-N 406.494 1.930 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1358887452 XNQNFZOKSQXDBM-CYBMUJFWSA-N 400.483 1.769 30 10 HDEE C#CCN(c1nnc(C)n1CCc1nc2c(s1)CCCC2)[C@H]1CCS(=O)(=O)C1 1358957502 VJOSQMKCCTWMCT-HNNXBMFYSA-N 419.576 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(CO)nn1 1358971571 AGNUWTHSJCOWNM-UHFFFAOYSA-N 420.433 1.100 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC1CC1 1358997290 MWPYMSYDNYZIFL-UHFFFAOYSA-N 424.530 1.259 30 10 HDEE C#CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1359062043 URCDGHPHEGMTPU-UXHICEINSA-N 419.551 1.156 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359097911 VKMYZJJJUCQVIR-IRXDYDNUSA-N 420.539 1.307 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1359121364 KONBLMNEELQZFQ-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1359232683 BBNCKENDGXNZKR-DYESRHJHSA-N 415.542 1.955 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359301460 ZAFXABCBZBHLSM-HNNXBMFYSA-N 412.450 1.555 30 10 HDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1)N1CCOCC1 1360784566 HHMWVCLSUYTXJT-IIBYNOLFSA-N 415.542 1.470 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CCCn1cnc2c(N)ncnc21 1442628512 BIJOLEWGERTSSK-UHFFFAOYSA-N 406.494 1.651 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)NCc1ccc(C(=O)NO)cc1 1448506741 KJODHCXEXDSJCH-KRWDZBQOSA-N 414.462 1.953 30 10 HDEE Cc1ccc(N(CCC(=O)N[C@@H]2CCN(O)C2=O)S(=O)(=O)c2ccccc2)cc1 1450167205 PISCSLASYWHQKV-GOSISDBHSA-N 417.487 1.687 30 10 HDEE C[C@@H](c1ccccc1)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(N)=O 1450420561 JJCCNRFEHUPHGW-SJCJKPOMSA-N 403.435 1.510 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1452271933 WRDSDQIWEMQNDI-RRQGHBQHSA-N 414.462 1.857 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)n1C 1459208264 BYFKOUUXZIEUDU-LJQANCHMSA-N 412.446 1.012 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)nc2)c1 1463900108 KEUSVPMOKWPSJT-UHFFFAOYSA-N 412.515 1.883 30 10 HDEE COc1ccc2c(c1)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CCO2 1466724371 BEUFZHPHJBBCBJ-SCLBCKFNSA-N 415.471 1.874 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2=O)cc1Cl 1472259705 SYDPPRLLOXHJQF-ATZDWAIDSA-N 416.909 1.622 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)CC1 1472364248 NVEMRRAAYIOISB-QFIPXVFZSA-N 410.562 1.223 30 10 HDEE CCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478413014 DBYGMZJWWCCODE-UYAOXDASSA-N 424.505 1.974 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1499307019 HERPFDGIIGBDAC-SFHVURJKSA-N 411.510 1.110 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1505278153 YNHVFFZZVQKPGM-YRASWOLKSA-N 404.446 1.450 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1507537538 IOHSLYFZGUYTRA-JKSUJKDBSA-N 403.508 1.218 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1507664111 GZTFUCPSMLGVGB-HXOBKFHXSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cnnn1 1507671025 FRHKXTUYOZBTTF-LJQANCHMSA-N 418.461 1.330 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1507809736 XHFPLQISPZCHJI-ZHALLVOQSA-N 419.526 1.406 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCOCC1 1507821544 GJBIDKDDQHDLOC-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=C(C)COCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507848489 LFBLCGWKDZSZBP-JXFKEZNVSA-N 407.515 1.223 30 10 HDEE C=CCC(C)(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1507916148 KUHXOCMZNPDPEY-UHFFFAOYSA-N 424.553 1.991 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1507960760 RNQSBCKPZANQFC-UHFFFAOYSA-N 411.510 1.927 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1507962360 RBNXZAGWFAMPCJ-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507968155 PNFOOKURKOBPTI-MPGHIAIKSA-N 413.544 1.239 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1COCCO1 1508014032 UWMHHQCQXHAAKA-SFHVURJKSA-N 408.466 1.515 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1508085931 IPGYZJKMYSVBSI-QZTJIDSGSA-N 424.505 1.882 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1508092001 ONJSXHFXKXVLII-QZTJIDSGSA-N 413.526 1.590 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ccon1 1508138877 ACDWOVMOWOFUCI-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H](OC)C1 1508145139 XXDKMAQQKHVUHZ-INIZCTEOSA-N 408.499 1.834 30 10 HDEE N#CC1(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCSCC1 1516200779 BTBGEWZRVPQFCN-UHFFFAOYSA-N 404.517 1.317 30 10 HDEE CCOCc1nnc(N2CCC(NS(=O)(=O)CC)CC2)n1Cc1ccc(C#N)o1 1516526217 KZKVSOBEOADKOL-UHFFFAOYSA-N 422.511 1.236 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518879902 FWBMVQKHWWACFN-QQMHEVNUSA-N 422.489 1.944 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCN1CCOCC1 1519404090 JSELNDKRVCJVJL-SQNIBIBYSA-N 406.531 1.463 30 10 HDEE CCN1CCOC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1525956156 IKVNWVHWOHMMDZ-HBNHWDEFSA-N 422.551 1.939 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1531928183 MFQHOZKYNJHTAL-HNNXBMFYSA-N 401.916 1.514 30 10 HDEE CC(=O)N[C@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)C 1534147244 UNLKVZBCMUDIDX-WDUNQMNWSA-N 408.524 1.989 30 10 HDEE N#CCc1ccc(OCc2ccccc2NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1534454901 VTXVJMVHEYPLQB-SFHVURJKSA-N 413.455 1.183 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1538970330 BYIAPIMZKNTIMZ-JKSUJKDBSA-N 416.551 1.863 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1539117265 SPHKYIKZHMODOW-GDBMZVCRSA-N 412.498 1.217 30 10 HDEE Cc1cc(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1539118090 HMIGBQGIRICUMC-BLLLJJGKSA-N 413.293 1.533 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539190816 RWIHECKTWPCDNX-HXUWFJFHSA-N 402.520 1.072 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539219189 BJGULLCWYXBHRY-MRXNPFEDSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC1 1539315643 QMRYMXUERWBBKS-UHFFFAOYSA-N 402.458 1.180 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1539361920 JHFGBQZXOXFLSI-IBGZPJMESA-N 408.506 1.574 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1539416357 MNODQFDFXQHWNX-KRWDZBQOSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1539428554 SVYXTCVMCDREMR-ZWKOTPCHSA-N 400.527 1.153 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCC(=O)N(C)C)CC1 1539453976 FHILJXZWZXAETK-UHFFFAOYSA-N 408.550 1.687 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccc(OCCN(C)C)c2)CC1 1539454176 IQBQBIGLZZWHHU-UHFFFAOYSA-N 422.577 1.975 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2COc3ccccc3O2)n1CCS(C)(=O)=O 1539557189 MMGIYOYJXLZBPF-YLJYHZDGSA-N 416.503 1.827 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnccn2)CC1 1539742706 JZQMWRGSOPSWQU-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1540170799 QXAPACDQKCWHDL-KRWDZBQOSA-N 423.539 1.136 30 10 HDEE CCNC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1540479090 WZSWPWVYXIDHNI-TZQQIIETSA-N 419.526 1.647 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC=CCC1 1540868903 VXNZBYBXMMRMAV-UHFFFAOYSA-N 415.523 1.307 30 10 HDEE CCOCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 1541081302 WELRYCVBLUBXPI-PYCFMQQDSA-N 419.507 1.985 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(NS(C)(=O)=O)cc2)c1 1542566403 UNRZNABQMQNPPZ-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1542983685 APDXGEAYGWJIMW-QFIPXVFZSA-N 416.489 1.860 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccncc1)C(=O)OCC 1545242681 YIGHGCIHEDOGMY-DLBZAZTESA-N 403.479 1.979 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2cc(C)on2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367936 XJYLWCDQUAOHFU-INIZCTEOSA-N 421.379 1.951 30 10 HDEE CCSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1552634525 WEAUHLRGQSALNP-UHFFFAOYSA-N 400.508 1.808 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H](C)N1CCOCC1 1555633301 OJCQXHSATDLNCK-QZTJIDSGSA-N 420.558 1.853 30 10 HDEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1555685790 YVELROFRAXALFM-NVXWUHKLSA-N 412.494 1.899 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CC2)CCO1 1555993399 NVJHTFSMMDYZAH-LBPRGKRZSA-N 404.268 1.961 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1556603476 GEDGAYRJSHNHNL-LPHOPBHVSA-N 420.473 1.066 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C#N)CC12CCCC2 1557176770 MYJWPLMQLUOOGQ-SFHVURJKSA-N 406.464 1.806 30 10 HDEE CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 1557260427 GUOLEZFDXYOBGT-MAUKXSAKSA-N 407.536 1.919 30 10 HDEE CCn1nc(C)c(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C 1557840100 ZKQCMVHPXIOLMD-CQSZACIVSA-N 403.508 1.717 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1558328674 DTQQGOYOVHFXIV-GOSISDBHSA-N 419.547 1.310 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)C1=O 1563356478 RPKUOSNMGAWLGL-QGZVFWFLSA-N 400.479 1.863 30 10 HDEE COCCc1ccc(OC[C@@H](O)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1565247709 UOJICUJODZGTPW-SFTDATJTSA-N 409.486 1.953 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCOCC1 1584614495 YHHMZOUSSNFZDO-UHFFFAOYSA-N 408.495 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1586078327 BLHGGNGUURLEBU-OAQYLSRUSA-N 400.479 1.943 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1587627619 VSGMQEDVSYDHRV-VQIMIIECSA-N 403.490 1.980 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1587798359 ICIVPUHLMVBNOI-KRWDZBQOSA-N 400.527 1.621 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCN(C(C)C)CC1 1588003232 SOBCARLUDASBEX-UHFFFAOYSA-N 402.568 1.939 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588049976 OPWQFRJMLNODSE-KRWDZBQOSA-N 419.551 1.231 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NC(C)C 1588628910 QCVXBVGBGFDKAS-UHFFFAOYSA-N 421.505 1.741 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1594668205 FRIQISCXOXQZLP-ZDUSSCGKSA-N 416.448 1.887 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1595239586 NTCQHGVZRPHDIS-GOSISDBHSA-N 416.547 1.940 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1596849583 HWVYKDCOCZMQRD-AYOQOUSVSA-N 410.478 1.865 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)ccc3Cl)C2)c(=O)nc1O 1607488922 LZSWSWJQONTPMA-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE C=CCn1c(SC[C@@]2(C)NC(=O)NC2=O)nnc1[C@@H]1COc2ccccc2O1 1613299583 XDXYREPDIYVTDE-SCLBCKFNSA-N 401.448 1.667 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2nn(-c3ccc(F)cc3)c3c2CCC3)c(=O)n1CCO 1614875201 HXKJRSWDIFOSMG-UHFFFAOYSA-N 409.421 1.044 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1617933100 FVMLLQQNCDKBEG-BEFAXECRSA-N 416.540 1.604 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1622067994 HTJFHMIBBJIOOX-LBPRGKRZSA-N 415.309 1.777 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(OC(F)(F)C(F)(F)F)cc2)c(=O)nc1O 1622414992 XKBHFURAZWBIRM-UHFFFAOYSA-N 404.251 1.993 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1627118742 IVWAJDNYNVJGSD-INIZCTEOSA-N 415.494 1.735 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)c1cccc(CNc2ncccc2C#N)c1 1627266903 JWEWQROHBVHQRY-UHFFFAOYSA-N 401.492 1.625 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628154447 LJNLDKYMIAVALZ-CZUORRHYSA-N 409.508 1.804 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 1631208965 RUWGJHQIUWGEPX-FUHWJXTLSA-N 420.531 1.487 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(c3cnn(C)c3)=NO2)C1=O 1635568230 NBIDRCITHWIISD-KXBFYZLASA-N 404.471 1.615 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCc3nc(C#N)cs3)CC2=O)C1 1638703192 MHRZIUHMVPVJBO-NSHDSACASA-N 420.495 1.034 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1cncc(C#N)c1 1638835490 NWMGBUOGRGHICM-SDJAHQOYSA-N 406.364 1.555 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)cc1 1639459830 YBENZMKSMKQSFG-OXQOHEQNSA-N 404.488 1.404 30 10 HDEE COCc1nnc2n1CCN(C(=O)c1cccc(CNc3ncccc3C#N)c1)C2 1639937605 ZNXWDJPGZMBBQW-UHFFFAOYSA-N 403.446 1.959 30 10 HDEE CN1CCC(N(CCO)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1640280234 RQXGTORFGSWIMN-JQHMZKTJSA-N 420.554 1.688 30 10 HDEE COc1c(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(C)nn1C 1640946836 BLYVUOMOTQINMM-UHFFFAOYSA-N 405.462 1.961 30 10 HDEE Cc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)NCC#N 1641584325 GFFUUKDFHQBPMY-UHFFFAOYSA-N 409.471 1.605 30 10 HDEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 1651223358 AVUZZFWGVZAUAZ-CYBMUJFWSA-N 421.409 1.575 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccncc3)C[C@H]2C)s1 1652170123 RLCHEWIFOYDEDT-OAHLLOKOSA-N 420.560 1.887 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 1654190797 SSADZFFVLRFKOL-KRWDZBQOSA-N 416.478 1.542 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2cccc(C(=O)Nc3ccccc3)c2)c(=O)n1CCO 1656828458 OUJIRFZABQGDLE-UHFFFAOYSA-N 404.426 1.483 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n1C 1662849620 FCZVMSZVXMDPOK-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1663331234 XFOYBNATFTZMAL-CYBMUJFWSA-N 411.300 1.786 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2-n2cccn2)CC1 1667475939 YGMHSHBZLBYZKA-UHFFFAOYSA-N 422.898 1.143 30 10 HDEE C#C[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 1668698002 GCTINUHVVYWKBI-FBJOKTGGSA-N 421.338 1.921 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(N(C)C)ccc2Br)nn1 1669875485 YODLLGKPOBDNMY-UHFFFAOYSA-N 400.302 1.771 30 10 HDEE C[C@H]1CC[C@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O 1681288389 XTNAATOITKEGFO-GUYCJALGSA-N 401.492 1.724 30 10 HDEE C#CCN(C(=O)NCCC1CS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1681430585 CYTPSPFXXSGTIJ-UHFFFAOYSA-N 413.540 1.465 30 10 HDEE COC[C@@H](CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)OC 1682687571 KUFDUKROLFSTBE-CQSZACIVSA-N 403.439 1.689 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(CC(=O)NC3CCCCC3)CC1)C2 1683589930 JMULPKYBHHSLOQ-NRFANRHFSA-N 409.534 1.802 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1 1686056231 UPEQETJHDNYMKP-BPUPXMBJSA-N 412.434 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNc1ccccn1 1689827914 JSXJBTWLTJORJT-LSDHHAIUSA-N 405.528 1.243 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1689991927 DSLYUARIFUZZMS-RTBURBONSA-N 421.611 1.835 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1690058514 XZXOORDSVVJOIS-UHFFFAOYSA-N 416.913 1.799 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1690083887 OXMYWEZDLWKLSS-SFHVURJKSA-N 424.505 1.922 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCOC)CC1 1690122194 JUURYAWFTWLHGH-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1690245714 MAXRQPKZRQEPET-BBWFWOEESA-N 410.540 1.388 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690507028 AWWBYYYYDNIFCT-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(CS(C)(=O)=O)CC1 1690530715 VIKJBJCWAIIEBZ-UHFFFAOYSA-N 414.535 1.964 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690673904 IQGKOXGXTIGHFG-KRWDZBQOSA-N 400.527 1.514 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CC)C2)C1 1690710903 YNYLASDXLRIDQG-ROUUACIJSA-N 402.543 1.524 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1692662371 KUIOTBBYIMTFNP-NQCMUKECSA-N 402.455 1.284 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)c1 1697302616 GCMYNZCTVQGAFR-LJQANCHMSA-N 402.430 1.492 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCOCC(F)F)c1 1698484726 NSMOAZBLQAVSAX-UHFFFAOYSA-N 416.432 1.909 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705567133 UWBSXAHZNVQOOC-INIZCTEOSA-N 414.466 1.482 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(=O)N(C)C1CCCCC1 1705629034 VWBOSEAWVJLZRN-KRWDZBQOSA-N 403.527 1.659 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2CC2CC2)n1 1705631002 NTMHBTVWTUYJMR-UHFFFAOYSA-N 411.510 1.407 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705771211 LHONAQPYDXJLDD-LJQANCHMSA-N 415.586 1.583 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N(C)C)CCSC1 1706743898 GSAADYBJNXLASJ-KXBFYZLASA-N 405.572 1.690 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1707574652 ZNNBLZQMWOZUNJ-RTBURBONSA-N 424.505 1.639 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1708257609 LIBONBKIMORPGU-BBRMVZONSA-N 409.450 1.030 30 10 HDEE CN(C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1710966354 AJPJAHJQLQCTRJ-YWZLYKJASA-N 417.489 1.462 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711085438 HNXWOVCWDNPOKZ-KRWDZBQOSA-N 414.535 1.945 30 10 HDEE COC[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712127293 ADWLWEJEJFJGHR-ZDUSSCGKSA-N 413.482 1.234 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(-n2cccn2)c1 1712454099 HYMBVYBJMQXPJR-GOSISDBHSA-N 422.493 1.777 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722327199 CGYHNJDPRPNJFN-GOSISDBHSA-N 417.473 1.703 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722334689 IGKXOBSEMFLQSJ-GOSISDBHSA-N 421.549 1.466 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1nc(C2CC2)cs1)[C@H]1CCS(=O)(=O)C1 1722365089 CPGRELYVTNXUMA-AWEZNQCLSA-N 405.549 1.849 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2nc(C)cs2)CC1 1722436839 LWZLFOYKGJQWCK-HOCLYGCPSA-N 413.551 1.553 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722437688 VWDNENZFRHQWGY-LJQANCHMSA-N 422.533 1.260 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2conc2COC)CC1 1722439128 PPOFVIVPJCUZSS-UHFFFAOYSA-N 407.478 1.202 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)CCC)CC1 1722446358 TXNFBUXZKHHIIX-JOCHJYFZSA-N 410.522 1.857 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722458634 PJINEERGSZYYDT-LSDHHAIUSA-N 400.570 1.755 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722481607 FDEUFBVGDFGNOU-NEPJUHHUSA-N 407.228 1.758 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722698883 OHQRFGBZDMYFRE-INIZCTEOSA-N 412.494 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722725843 UFDJAMMJFHBWKM-SOLBZPMBSA-N 419.551 1.746 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722728556 XCJJHEMKSPTNJZ-NVXWUHKLSA-N 420.539 1.285 30 10 HDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1723049605 DKJHDCXTRCRHGH-JKSUJKDBSA-N 410.544 1.706 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1723088278 GCGNGYGRTTVVKP-FQEVSTJZSA-N 414.441 1.888 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1723770484 AWCUAZPBRXWJKL-CQSZACIVSA-N 422.493 1.409 30 10 HDEE Cc1nnc(N2CCN(C3CCC3)C[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726405918 JHHQMHRPOLKTIZ-CVTQAYBASA-N 413.526 1.424 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1726607641 YKNFVOVINLJSSD-OAHLLOKOSA-N 403.508 1.724 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(N2CCOCC2)CC1 1730932834 LBZHVWRWHMYMJZ-BZSNNMDCSA-N 418.542 1.463 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)C(=O)NC 1740601789 JHFSESILJPONEF-UHFFFAOYSA-N 407.316 1.888 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740616337 ZAAZVAYNFBIOKI-ROUUACIJSA-N 421.611 1.934 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1740666500 ROYVISNCXQMSNW-OAHLLOKOSA-N 416.503 1.958 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ncn(C)n1 1740686208 PREORPPFLHCYGY-KRWDZBQOSA-N 409.450 1.053 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1 1740725630 SPRDWBRKZCXDTI-MGPUTAFESA-N 417.535 1.829 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1 1740750543 RKHOFVOZMDAJFJ-JSGCOSHPSA-N 414.304 1.189 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCO3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740829736 IBIHDPYJFDXPOB-MRXNPFEDSA-N 422.511 1.394 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1740932171 INJRGJQLLAXIRM-KBPBESRZSA-N 402.467 1.783 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC)C1 1741005278 HALXGUKKACUNPA-KRWDZBQOSA-N 406.556 1.911 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1741199066 LCIVONPJQZNCPU-WMZOPIPTSA-N 413.526 1.996 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC1CCOCC1 1742834331 BFFKVLQIHBGDLP-UHFFFAOYSA-N 411.510 1.766 30 10 HDEE CCn1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1746355998 DARGWHQNYLJFBT-INIZCTEOSA-N 403.512 1.185 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1748697434 IHZHQEPLJLXJOK-MRXNPFEDSA-N 401.515 1.260 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1748798440 ADQXZHJIATWXQK-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCC(=O)N1CCOCC1 1748839427 TUIWPMGSDSXFCK-UHFFFAOYSA-N 407.474 1.275 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCc2nccn2C1 1748965499 SLCJUJHOUNEOSH-LJQANCHMSA-N 405.506 1.809 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC[C@@H]1C 1749221315 JPUXYEFHKBSSCT-KVSKMBFKSA-N 424.505 1.869 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(=O)(=O)NC)CC1 1749312730 SGBHOPMSGCCPBF-UHFFFAOYSA-N 405.524 1.871 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C2CC2)C1 1749738136 GVKNVAUTNHHBBO-GOSISDBHSA-N 418.567 1.977 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCCO)cc1 1750383041 NTUWZCNXLDWAQV-FQEVSTJZSA-N 421.505 1.392 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1760118155 ZDJNQBYFCWXPDM-MPGHIAIKSA-N 411.597 1.075 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760136589 AJWZBXFRIMVYAT-FUHWJXTLSA-N 416.551 1.160 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1760154765 HXALQXDAGGOURN-KRWDZBQOSA-N 409.556 1.793 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)C(C)C)CC1 1760268229 NYVPUFLCKDXKHS-QFIPXVFZSA-N 410.522 1.713 30 10 HDEE C#CCSCCn1c(N2CCN(CC3CC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760286180 DVEHQDVYNSIELY-OAQYLSRUSA-N 419.595 1.829 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CC(OCC)C1 1760290509 HZINBQKYFJGBBI-JGURWLQPSA-N 418.538 1.852 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1760337306 PKTDKBQZRUPOEW-HNNXBMFYSA-N 415.560 1.438 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](COC)C1 1760351443 GTQMZBXVARIEBS-MRXNPFEDSA-N 400.483 1.991 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760355292 DVCRGBJUFCUJFU-NRFANRHFSA-N 413.526 1.629 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1766427301 BFGXBCGMIASJCN-HNNXBMFYSA-N 417.466 1.617 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC1 1767341306 DRBKTUBQOTVHSW-INIZCTEOSA-N 403.508 1.724 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)c1 1768357944 AOMFCTUJWLORQH-QVKFZJNVSA-N 414.510 1.767 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCC2(O)CCOCC2)CCO1 1771535911 CPSXTSGEJOXPLA-OAHLLOKOSA-N 418.885 1.654 30 10 HDEE N#CC1CCN(C2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)CC1 1849659273 ZGTRRNCNKXSLRJ-UHFFFAOYSA-N 408.568 1.417 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1 1851293561 ZOKOWNXUXHRWNA-MRXNPFEDSA-N 420.473 1.449 30 10 HDEE Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1C#N 1851320580 JWLSQQVEYVFTDU-LBPRGKRZSA-N 404.414 1.914 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1851850724 CLZQJNUHEOXPFH-NWDGAFQWSA-N 401.858 1.407 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCS(=O)(=O)N3CCCCC3)CC2)cc1 1853125503 HVJDSDFEBPDJDJ-UHFFFAOYSA-N 404.536 1.707 30 10 HDEE C[C@@H]1Oc2cc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)ccc2N(C)C1=O 1853223334 RMJSCEMXKUTDFM-VIFPVBQESA-N 419.381 1.914 30 10 HDEE CSc1ccc(C(N)=NOCCC(=O)N2CCN(C3CCOCC3)CC2)cc1 1853478669 RLQQBDOVBTXRPT-UHFFFAOYSA-N 406.552 1.759 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854228417 MEKVZFZYIJSZED-OALUTQOASA-N 414.481 1.512 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@H]1C 1854330178 DXZAQIASCMMCRA-SJLPKXTDSA-N 405.520 1.393 30 10 HDEE Cn1cncc1C(=O)N1CCCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854745892 GSQYBBWWLDENQY-QGZVFWFLSA-N 407.478 1.030 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(CC3CCC3)nn2)CCN1Cc1ccc(C#N)cc1F 1855019336 NHDBTTFTVZGSCL-CQSZACIVSA-N 410.453 1.962 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2cncc(Cl)n2)CCN1Cc1ccc(C#N)cc1F 1855019684 USTIPYOKFUKOAM-GFCCVEGCSA-N 417.828 1.779 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1856049211 IAIXVKJIRWJKRX-HNNXBMFYSA-N 422.407 1.784 30 10 HDEE Cc1cccc(C(=O)N2C[C@H](CN(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1856232430 KIBFMYJOIFOZSI-INIZCTEOSA-N 404.474 1.466 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)C[C@H]4CCCO4)C3=O)CC2)n1 1856970158 QPNUKXGFTXMFLM-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nnnn1-c1ccccc1 1857151680 BEAGBPOMDXIUCI-OAHLLOKOSA-N 401.430 1.407 30 10 HDEE CN(CC(=O)N1C[C@H](CN2CCC3(CC2)C[C@H]3C#N)CC1=O)C(=O)OC(C)(C)C 1857213602 QFAAWZDHUVWZLG-HOTGVXAUSA-N 404.511 1.854 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)c1C#N 1865890410 FMACZMDOKMQVMF-UHFFFAOYSA-N 402.414 1.950 30 10 HDEE C=CCOc1ccccc1OCC(=O)N[C@@H]1CCCCN1[C@H]1C(=O)CSC1=O 1865934358 CMMGUBWYDRUVKS-HKUYNNGSSA-N 404.488 1.770 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1C#N 1866023494 WMXANQOMHRDHQL-IBGZPJMESA-N 424.420 1.615 30 10 HDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CN1CCC(O)CC1 1870497777 XHIKOXXTNHAUEK-UHFFFAOYSA-N 403.523 1.772 30 10 HDEE CCc1nc(C2=C(N)N(Cc3ccc(C(=O)OC)cc3)CC2=O)sc1C(=O)OC 1872725687 VIOZYSKNMTUVSK-UHFFFAOYSA-N 415.471 1.991 30 10 HDEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)CC1=O 1872993508 QKEYPWHMGMQOFO-ROUUACIJSA-N 423.554 1.866 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccncc2)CC1=O 1874274102 OYNZXCUUJOLJMC-FCQRQVBFSA-N 401.496 1.247 30 10 HDEE CCCNC(=O)CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874537978 HWSYKNAOJGHJPP-UFWORHAWSA-N 406.424 1.458 30 10 HDEE CC(C)N1C[C@@H](c2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)CC1=O 1874564534 IXOFYQXXTRCXEJ-OPFCKLNOSA-N 409.493 1.420 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1886031988 TYDOXYJSRVJCEF-NWDGAFQWSA-N 401.460 1.550 30 10 HDEE CCN(CC)CC#CCNC(=O)c1cccn(Cc2cc(OC)cc(OC)c2)c1=O 1890170861 LHDFXVJMIQQZJY-UHFFFAOYSA-N 411.502 1.989 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C#CCN(C)C)c1 1890870049 SSWCPEATHZOBTG-QUCCMNQESA-N 403.548 1.704 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1902549093 XZOOOOYRYVMXFA-CYBMUJFWSA-N 411.308 1.322 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC#CBr)[C@H]2CS(=O)(=O)C[C@H]21 1982250188 OQNATYANWNJQCL-QWHCGFSZSA-N 407.330 1.451 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010402834 WPKJQZQMPYJHIA-AWEZNQCLSA-N 416.287 1.631 30 10 HDEE C[C@H](CCC#N)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2160653452 BRSXCNWMGTYBTM-MRVPVSSYSA-N 408.217 1.960 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C 2174785728 BXDPMEKFVIWVBK-WHDAMIPWSA-N 423.557 1.648 30 10 HDEE CC1CCC(C#N)(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2181054660 ABUSSXBTZYKFDE-TXKKKEFDSA-N 401.529 1.903 30 10 HDEE C#CCOCCOCCNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2189866496 WWEYQVSHMLCKPE-KNQAVFIVSA-N 418.490 1.585 30 10 HDEE N#Cc1cc(Br)ccc1OC[C@](N)(C(N)=O)C1(Br)CC1 2206622360 ILXCWDQSXMWEOP-ZDUSSCGKSA-N 403.074 1.810 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NC(=O)C#CB2OC(C)(C)C(C)(C)O2)s[nH]1 2243380061 TWRNPECOAAGLCZ-UHFFFAOYSA-N 422.316 1.601 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2243424588 ULLXYPRCIQQNHP-OLZOCXBDSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(=O)O)C1 2247672660 ZGCBCMIHFLYAJW-UHFFFAOYSA-N 419.287 1.867 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CSC[C@@H]2C(=O)O)OC1(C)C 2269038268 XTEYSEWPCUNDKK-SNVBAGLBSA-N 405.328 1.196 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2282012026 QBALAKIZADWZSL-NEPJUHHUSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CN(CC(F)F)C2)OC1(C)C 2282331630 PWIZZGQQRHYRFA-UHFFFAOYSA-N 408.301 1.275 30 10 HDEE COC[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282493453 WHLUBPFJXFSYBN-HAQNSBGRSA-N 402.347 1.287 30 10 HDEE C[C@@H]1C[C@@]1(F)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494193 ZOSAFBISLPPRLH-BDJLRTHQSA-N 404.338 1.952 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)OC1(C)C 2282495816 ROYNDXJOSPWFKT-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC(C)[C@@H](O)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497908 WOUBLMYVNASUKL-TZMCWYRMSA-N 403.375 1.872 30 10 HDEE C=C(CS(=O)(=O)N[C@H](C)[C@H]1CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282509058 FOYJRXAWKBWSMH-KGLIPLIRSA-N 407.363 1.307 30 10 HDEE Cc1cc(S(=O)(=O)NCCc2nncs2)sc1B1OC(C)(C)C(C)(C)O1 2282842517 ZIMKVOFSWYIJII-UHFFFAOYSA-N 415.371 1.728 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC[C@H]3CO)c2)OC1(C)C 2282851744 GLYSZTJBOKUQPG-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](C(F)F)[C@@H](N)C2)OC1(C)C 2282858144 SCNKHCMPLGPMEL-ONGXEEELSA-N 408.301 1.260 30 10 HDEE C[C@@H]1CC[C@H](CO)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282862179 ZJQHBDMDTTVJEG-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CSC[C@@H]1CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865398 SXEGOHVYSNLRJG-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)[C@@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2282871296 DWBBDGNWGUFZCO-WDEREUQCSA-N 403.375 1.959 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCNCC(F)(F)C2)OC1(C)C 2282882190 IBRMWYLXIFUNCR-UHFFFAOYSA-N 408.301 1.277 30 10 HDEE C=C(CS(=O)(=O)NCc1cscc1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2288498639 JESGIDIGPFSOQP-UHFFFAOYSA-N 421.371 1.759 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(NCCC#CBr)(C(=O)O)CC1 2324757287 BRNRTHIKGFOEAP-UHFFFAOYSA-N 418.332 1.766 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 2365203991 LIKKROHTYWDYQZ-QMTMVMCOSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793096 UAJAMRBELFTUHW-ZIAGYGMSSA-N 414.549 1.911 30 10 HDEE C[C@@H]1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H](C)CN1C(=O)OC(C)(C)C 2367815096 DHDLGINSLLQFEX-DEXNDLTESA-N 400.541 1.291 30 10 HDEE Cc1scc(C(=O)N2CCS(=O)(=O)CCO2)c1B1OC(C)(C)C(C)(C)O1 2369542111 SAAXZBHIIRXYSR-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE CO[C@H]1COCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2379676517 GSFSBEJFMLGVJI-CYBMUJFWSA-N 403.331 1.083 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)c(C(=O)OCC)s2)CC1 22812935 KLYZKJMCPJZFDH-UHFFFAOYSA-N 408.524 1.092 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@H](O)COc2ccccc2)CC1 23409673 RJVAYFIOQPJVAT-SFHVURJKSA-N 401.488 1.304 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccc(OC)cc2)C2CC2)CC1 24242583 GLJBVQYBKVBSDZ-UHFFFAOYSA-N 400.523 1.106 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 104557304 GXJZWHIRQPCPQD-UHFFFAOYSA-N 422.503 1.373 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 430417906 XTMZYLOOJVOIHF-PZJWPPBQSA-N 413.518 1.306 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H]1c1cccn1C 442205995 YRYLLVXIUQFTRU-SFHVURJKSA-N 417.473 2.478 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC[C@@H]3CS(N)(=O)=O)CC2)nc1 443628512 ZHSKTNJGNMIAHG-HWOWSKLDSA-N 407.496 1.106 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 446623192 HTRSQMZBJUKKNR-AQFXKWCLSA-N 400.483 1.746 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCOC)[C@H]1CCOC1 460813156 KQCCGVHWPOHPIM-SFHVURJKSA-N 410.482 1.739 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(Br)c1 471931969 FJWOSPSRWLWSTK-CQSZACIVSA-N 403.254 1.539 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)C2CCCCC2)CC1 472111898 BMYXIMKLLCGRDX-UHFFFAOYSA-N 406.464 1.880 30 10 HDEE CCN(CC)CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481245248 GBXYRPZXDGEEIR-INIZCTEOSA-N 406.552 1.805 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2C(=O)NCCOc2ccc(C#N)cc2)cn1 486492932 FFNWFZMUPYRJJX-JMQGSBJISA-N 401.492 1.669 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 501993957 KVAATHROYYMRDN-INIZCTEOSA-N 416.507 1.932 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 503056629 RHSSCTZNGOLMPJ-IBGZPJMESA-N 409.508 1.815 30 10 HDEE CS(=O)(=O)Cc1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)o1 504598654 OVEDNGSHKPTACE-HNNXBMFYSA-N 419.484 1.850 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)CC2)cc1 504704099 STXIXGVNPDPMJE-LRGYGIHKSA-N 405.454 1.735 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 505251528 OSCLENQJCUWPQU-UHFFFAOYSA-N 418.519 1.952 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ncccc2C#N)CC1 505266509 WAAQJEWKZKGVPC-GOSISDBHSA-N 405.506 1.208 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 505672230 YJUYTBYGXLSFNI-IRFCIJBXSA-N 417.469 1.784 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 508657003 DFTJLWPVPYDRSM-OALUTQOASA-N 421.567 1.349 30 10 HDEE COC(=O)CC1(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 511727458 NKXQWOWXDHXOTH-MRXNPFEDSA-N 412.446 1.755 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2ccccc2OC(F)F)CC1 514883329 ZAOKGCJPUGKKGA-UHFFFAOYSA-N 415.400 1.633 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C2CC2)nc(SC)c1C#N 518388656 YXKRPRWTBSPJIZ-HNNXBMFYSA-N 401.492 1.019 30 10 HDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O 518417807 KSVKGRCYYZYBIH-IBGZPJMESA-N 411.483 1.737 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1 521057152 IMFJWKFDOJNUEA-UHFFFAOYSA-N 404.474 1.370 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ncccc2C(N)=O)CC1 532669093 BZYPOESOUSPTAX-CYBMUJFWSA-N 424.530 1.752 30 10 HDEE Cc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 539503306 AFZASXAWSWOTDA-CQSZACIVSA-N 402.480 1.833 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@H]1CCN(C(=O)COc3ccccc3)C1)CC2 549349508 VXZIOOKHBCPPQM-SFHVURJKSA-N 418.453 1.243 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 566787770 IORDWBOAJYGMRR-KGLIPLIRSA-N 418.469 1.486 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 569262057 DVDKXGMBCMTCHW-PVPMGCCUSA-N 414.597 1.884 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 575402001 ATIXPOLBQYOFPM-QGZVFWFLSA-N 413.457 1.378 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 579175406 QRGZOSGJWAUMEX-UHFFFAOYSA-N 421.479 1.108 30 10 HDEE Cc1csc([C@H](C)NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 587983930 OGXVAOCJKWJIAK-LBPRGKRZSA-N 414.491 1.715 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 589461380 KTFZIYYJIOUKLN-UHFFFAOYSA-N 407.492 1.418 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(C#N)c(C)nn1-c1ccccc1 611348222 SQXMOPKSVTZFNG-LFGUQSLTSA-N 408.458 1.977 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 619833641 FTLLPAGIXQRQET-HNNXBMFYSA-N 420.495 1.947 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(CC)c(=O)cc2C1 670222004 KXUQCVCNHUTXSQ-OAHLLOKOSA-N 402.499 1.718 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCN1C1CC1 732650668 BEMFPGIWDASABG-MRXNPFEDSA-N 422.938 1.937 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCNC(=O)c2ccc(Br)cc2)CCN1C1CC1 732702431 SLMPSZOEKSTISB-MRXNPFEDSA-N 420.311 1.561 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H](C#N)c3ccc(F)cc3)C2=O)cc1 733622581 WBMMMTQVNHONME-UTKZUKDTSA-N 410.405 1.982 30 10 HDEE CSc1nnc(CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)C 741091688 VTBVWBRBOOGVEA-MRXNPFEDSA-N 405.572 1.970 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CCN1C1CC1 748951491 PZXCJMJBPWRYDR-QGZVFWFLSA-N 413.478 1.128 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccn(Cc3ccccc3)c2=O)CCN1C1CC1 756183124 WYBILNSTTBVLOJ-GOSISDBHSA-N 405.458 1.034 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 766517551 DOJMTIBYMPQMCH-UHFFFAOYSA-N 401.366 1.999 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC(C)C)C1=O 771580626 ZFVWKVMVYYKDPQ-RNODOKPDSA-N 400.435 1.004 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774234428 HYOQJVCJEQUWEU-HOTGVXAUSA-N 421.519 1.114 30 10 HDEE COCc1noc(CN2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)n1 780484600 VQOKOAQWPPCOKQ-UHFFFAOYSA-N 408.466 1.430 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)CC1 781935710 TUEHDXSGVAJGPP-GOSISDBHSA-N 406.402 1.703 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(C#N)cn2)c1 782733539 RIBJOMPCDQLRKC-UHFFFAOYSA-N 413.503 1.734 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)c1 784124834 LJAPGPUTIHZAQE-SFHVURJKSA-N 411.531 1.971 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1)c1cc[nH]n1 789989593 JWSBPDBGDRHFSP-LBPRGKRZSA-N 421.404 1.367 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2C(=O)c3ccc(C)cc3C2=O)n1 790105055 BRWVIXQYZSFMCM-INIZCTEOSA-N 408.458 1.484 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@]2(CNC(=O)C2)C1 790163450 BPKSFSGFRXIIFN-MGPUTAFESA-N 418.519 1.023 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 792744322 AVSBNUUQYWVEPA-HZPDHXFCSA-N 404.540 1.314 30 10 HDEE Cc1c(NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c(=O)n(-c2ccccc2)n1C 798745218 YMNKYHNJENHECQ-UONOGXRCSA-N 423.433 1.079 30 10 HDEE C[C@H](C(=O)O[C@H]1CCc2c(OCCCS(C)(=O)=O)cccc21)n1cnc(C#N)n1 798834147 UPFHHCZQZAMVJO-DYVFJYSZSA-N 418.475 1.755 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 804971641 JCCAVHIMXBJHNY-UHFFFAOYSA-N 415.411 1.720 30 10 HDEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(S(=O)(=O)NC)cc1 906483030 YLTVPSKPPZVLAJ-UHFFFAOYSA-N 412.445 1.999 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1cccc(SCC#N)c1 1133586399 RLXINXIYXRAGIT-UHFFFAOYSA-N 410.499 1.807 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 1135559779 SERQACOGXMDLSS-UHFFFAOYSA-N 420.512 1.986 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1135973193 QCIHCQHHFREDNX-UHFFFAOYSA-N 411.455 1.816 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1)c1cc[nH]n1 1137334216 IRDSVFUSTKNFPM-GFCCVEGCSA-N 404.398 1.610 30 10 HDEE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1142000674 GQLGUQLOYLUQFO-FVQBIDKESA-N 405.476 1.211 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1143458198 MXQXPYWAIOWDEP-DLBZAZTESA-N 406.527 1.259 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccnc(Cl)c2Br)CC1 1144025455 DXQVIEYSXRFTCN-UHFFFAOYSA-N 413.703 1.395 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)CCO1 1147719783 DNBDOHRKIWTFSC-FQEVSTJZSA-N 408.458 1.907 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1149056207 FZDPEWADPPAAMB-IBGZPJMESA-N 421.501 1.629 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)cc1 1149393349 OJFVJQLZEMAIRD-UHFFFAOYSA-N 414.487 1.535 30 10 HDEE C=CCCC[C@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OC 1155474637 HZCQWUZOQZPLMH-SFHVURJKSA-N 408.520 1.545 30 10 HDEE O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cc(Cl)cc(Cl)c1 1161785265 SOPVFQDWOPKGJV-FZMZJTMJSA-N 421.302 1.747 30 10 HDEE CCN(C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1)S(C)(=O)=O 1167843232 FDMLCGMBANBBIW-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE C[C@H](CC(=O)NCc1cc(=O)c2ccccc2[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1175081001 KPDUGFFSYJGFTK-CYBMUJFWSA-N 424.482 1.662 30 10 HDEE COc1ccccc1N1CCCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1176891350 DIKBEGVTGOIAKR-NRFANRHFSA-N 413.566 1.900 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)nn1 1230272751 ZJIWHPNNNYFWLY-CQSZACIVSA-N 424.427 1.887 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1235546224 QAWKZATTZOQFRM-CYBMUJFWSA-N 405.879 1.485 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](c2ccc(F)c(F)c2)c2nccn2C)CC1 1256241750 GIWCRSHURDAXAL-SFHVURJKSA-N 415.444 1.959 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286297142 UXQROJDPUHQRMJ-JKIFEVAISA-N 424.461 1.237 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286371734 CFAQGSARCLQJLF-PMACEKPBSA-N 422.533 1.681 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286395709 UABQOOKBVHRJMN-ZWKOTPCHSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1286409487 MNUXSTLNOJAIJB-INIZCTEOSA-N 416.478 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCC(=O)N(C)C 1286411172 NWOYGOPYSCNBTJ-UHFFFAOYSA-N 403.490 1.458 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3cc(C)nc32)CC1 1286469689 JKOWJHFJSMDPFQ-GOSISDBHSA-N 424.553 1.254 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCCC2(C)C)CC1 1286482683 VMGDAUSTHWSMRJ-HSZRJFAPSA-N 408.550 1.960 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCCCCC2)CC1 1286485180 FAVSADNZRVNQPE-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1286771090 WWUMWJUMRACFKB-UAGQMJEPSA-N 400.508 1.818 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(=O)OC)C1 1286784436 HJNBAKXWJZLAPE-INIZCTEOSA-N 420.473 1.795 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)C)CC1 1286784559 LUJSAVJQBVPRHG-UHFFFAOYSA-N 412.494 1.506 30 10 HDEE CC(C)C(=O)NCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1286964928 GKMHNWJOIRBJLB-AWEZNQCLSA-N 422.493 1.962 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCCNS(C)(=O)=O)CC1 1288985905 GMHZKFWTAWKSEN-HNNXBMFYSA-N 410.544 1.241 30 10 HDEE CCCN(CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1294504634 CNAMHLJQEMAOSU-WMLDXEAASA-N 415.539 1.062 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1296167088 KQMRLJJBTLFUQY-KBXIAJHMSA-N 424.498 1.544 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)CC)C[C@H]3C)n[nH]2)c1C 1297638432 TWIAFZUWNWWUJH-CYBMUJFWSA-N 420.539 1.572 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)CN2CCCCC2)C1 1297729196 RUEZLYZRDSJHQN-QGZVFWFLSA-N 421.339 1.720 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCSCCCO 1298283458 DQHKWIHZBOSUKU-QGZVFWFLSA-N 414.535 1.853 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CCS(C)(=O)=O 1300421417 GISJAEAAYKFYGV-UHFFFAOYSA-N 409.537 1.164 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300458239 FTCCHXXSIPNJCA-SJORKVTESA-N 410.526 1.742 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCCCC)CC1 1300720040 ZYUUJQQDXQIAPE-UHFFFAOYSA-N 413.526 1.461 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](OCCOC)C1 1301491292 OJVMRKZIDKKZMF-INIZCTEOSA-N 400.483 1.274 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@]2(CCOC2)C1 1301493437 YPFTXTXNGCVIAH-LJQANCHMSA-N 418.885 1.291 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCOC1 1301959511 HWQUNLSZFAVLHG-HZPDHXFCSA-N 407.482 1.943 30 10 HDEE CC(C)c1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1302598845 VCWOZKSEPXIQSB-ZZEZOPTASA-N 424.509 1.830 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](CC(F)(F)F)C3)CC2)o1 1307949058 NLLFGEHLZORQOV-CYBMUJFWSA-N 401.389 1.157 30 10 HDEE C#CCC[C@H](O)CNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1312697974 MKXORDCASWXCOR-NRFANRHFSA-N 414.550 1.431 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1313191715 YOVZLKMLCGYZRU-YMGMXPECSA-N 403.504 1.511 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@H]1CCC(=O)N1 1316101160 DKYZRBFKVBJZGE-MRXNPFEDSA-N 400.458 1.653 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCSC2=Nc2ccccc2OC)C1=O 1350597603 BXYPSTZADCIDHJ-CYBMUJFWSA-N 405.476 1.670 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1350894505 OQLFYEXQNCWTCO-UHFFFAOYSA-N 412.515 1.981 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1358869698 SRWFUWYKUPTHHV-OAHLLOKOSA-N 407.540 1.329 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1358871433 FLABSGHMMXXMIB-WDEREUQCSA-N 413.491 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NC(C)C)CC1 1359047265 YDEKLNLXFMXIHB-UHFFFAOYSA-N 414.554 1.501 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1359133147 MISHPEZJOLZBTQ-IRXDYDNUSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2cc(F)cc(F)c2C1 1359300810 KMPRYZRJCNMIPJ-CQSZACIVSA-N 403.433 1.925 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C1CCOCC1 1437875651 NRAGNWZWNQRLLQ-AABGKKOBSA-N 400.475 1.957 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440747605 PXERKBHUBKGKQI-UHFFFAOYSA-N 421.504 1.403 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(C4CCC4)nn3)CC2)cc1 1441013284 RJICLRWJKFPKCX-UHFFFAOYSA-N 400.464 1.021 30 10 HDEE C#CCN(CC(=O)Nc1ccc(CC(=O)NCC(=O)OC)cc1)C(=O)OC(C)(C)C 1441502822 DSIJYKFDZREHMD-UHFFFAOYSA-N 417.462 1.327 30 10 HDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)c1cccc(C#CCO)c1 1442467825 MONIUYJHUPETNN-UHFFFAOYSA-N 407.470 1.679 30 10 HDEE C[S@@](=O)CCN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1444490615 QHGBWTDBWGWOER-YVORESIASA-N 400.545 1.096 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1454679987 RJZXCDACTPIMBL-QAPCUYQASA-N 410.565 1.526 30 10 HDEE Cc1cccc2c1NC(=O)N(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)S2(=O)=O 1459209259 LSVLZAQAIYOGLU-HNNXBMFYSA-N 419.507 1.224 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NCC3(N4CCOCC4)CCOCC3)C2)c(F)c1 1460756398 BKURNFKMIBGHQU-SFHVURJKSA-N 416.497 1.521 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(O[C@H](C)CC)c2)CC1 1463169890 ZKOJOHNJBZPDSX-QGZVFWFLSA-N 407.536 1.310 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464927728 VOIJDVVQCIWHPM-HJUNTIBCSA-N 408.499 1.959 30 10 HDEE Cc1nc2ccccc2n1C1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1467720136 FQQXCSFABFVKHV-UHFFFAOYSA-N 406.446 1.733 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](CS(C)(=O)=O)C1 1468507683 SRQFHUGGTYTPOI-GJZGRUSLSA-N 401.529 1.857 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1 1472299814 AFHWJTSMKLLSME-CHWSQXEVSA-N 423.901 1.837 30 10 HDEE C[C@H](Cc1ccc(Br)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371259 PXVKFZGNTXIDEI-LLVKDONJSA-N 417.263 1.845 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](C)[C@H](O)C3)nnc12 1472537744 FXXVWNHLLPQPCQ-CZUORRHYSA-N 413.503 1.552 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](C(=O)OC)[C@H]3CCOC3)ccc2c1=O 1472632949 BDAIHXBKYVPTHV-DZGCQCFKSA-N 417.487 1.427 30 10 HDEE C=CCCCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1478479680 SHDCBLRJHXZENC-CABCVRRESA-N 401.529 1.771 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nn1 1478855482 OTQCTZQUPGOLEH-BXUZGUMPSA-N 407.418 1.115 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC(C)(C)O1 1494234860 DDPSCGLAJNTIMZ-HNNXBMFYSA-N 407.482 1.897 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1498488711 DSKOOADJOCDUQJ-MRXNPFEDSA-N 406.494 1.975 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(C)C 1499306718 DEGXGSYIQJGNTB-KRWDZBQOSA-N 409.494 1.400 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504482126 AJSQIBNHRGKXGV-ZJYNUGOYSA-N 423.477 1.482 30 10 HDEE COCc1nocc1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1504659100 LYHVDZNFUQMZOI-QGZVFWFLSA-N 424.461 1.789 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)CCO1 1505325908 UTLIXPHXRLXTKW-CQSZACIVSA-N 401.858 1.226 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccccc2)C1 1507573624 IUOBPEIHLJGVPY-FUHWJXTLSA-N 417.535 1.880 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507592746 UEBVYMJJVVEMMS-SFHVURJKSA-N 402.543 1.186 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1Cc1nnn(C)n1 1507676890 RMEPIXFIZHLVSD-UHFFFAOYSA-N 404.478 1.454 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(F)cccc2Cl)CC1 1507723717 RVMFYWMOQZYMBI-KRWDZBQOSA-N 416.888 1.825 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507755938 XGYNZLJCBBXGIY-CVEARBPZSA-N 419.551 1.370 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1507863451 GHSWDIXXLLXPEF-HNNXBMFYSA-N 412.885 1.575 30 10 HDEE C=CCCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1507930645 HAPRQPLPWZUIRP-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)C[C@H]1OC 1519498802 FVZDTEJBCOXHCY-LVCYWYKZSA-N 413.478 1.472 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)nn1 1527363913 ZYGVUNHAJALYFN-UHFFFAOYSA-N 408.462 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1CCCS1(=O)=O 1537909315 HNKICYPZNOZZDL-CQSZACIVSA-N 402.517 1.115 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539001940 MNVSUUYSPRROTB-HZPDHXFCSA-N 418.509 1.694 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539224860 JDQHJKDHAYJOLR-SJORKVTESA-N 408.568 1.918 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnc2ccccc21 1539414367 UYWKPCHYPRMRGM-SFHVURJKSA-N 421.505 1.755 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1540872105 CUPGSESQKHMDOK-INIZCTEOSA-N 415.469 1.700 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540872467 QFMPTYIJHCMIOS-DOTOQJQBSA-N 412.469 1.025 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540902953 UWBLTOQGOBXNQJ-KTGAGVNESA-N 424.567 1.370 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)co1 1545718968 XYDFAJCPPDBMRA-UHFFFAOYSA-N 404.448 1.304 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1555201208 WGLAHOXQEXFALT-KRWDZBQOSA-N 416.457 1.096 30 10 HDEE COCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1555720040 WMRZGGBADZSCLI-HZPDHXFCSA-N 419.457 1.949 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 1559824182 CRXNGCLADIDGCG-LSDHHAIUSA-N 408.499 1.374 30 10 HDEE C#C[C@H]1CCCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1559947327 PZPFCFIPQQHWEL-HOTGVXAUSA-N 419.526 1.044 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Br)c1C 1561149538 ZJQNPAPWPHHBFD-CQSZACIVSA-N 420.350 1.710 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NCC2CCN(CC#N)CC2)nn1 1565738126 IUHHHXNGJNJYAJ-UHFFFAOYSA-N 419.530 1.548 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)C1 1570073749 SRFOQJYCGUVIMZ-HXUWFJFHSA-N 413.518 1.798 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1 1583032101 RFVVZBNQTCVEGN-QGZVFWFLSA-N 419.434 1.637 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1585082151 KHGHOGSUKUTOKR-AEFFLSMTSA-N 422.445 1.097 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)ccc1F 1585221552 YKMIQTSHLMGVTH-INIZCTEOSA-N 419.478 1.796 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n1 1586565468 QKPALZHXTSRSGD-QGZVFWFLSA-N 402.495 1.445 30 10 HDEE NC(=O)c1cc(Cl)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1586827342 BUNDTHMFSAIGFI-UHFFFAOYSA-N 420.878 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1587561121 BFSLFCVRNPXIJK-BQFCYCMXSA-N 418.567 1.649 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1587766934 BHHQVBXZVHKPOZ-UHFFFAOYSA-N 418.469 1.442 30 10 HDEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)[C@]3(C#N)CCCOC3)ccc21 1588008370 WCMSCVYQJKWMHI-SFHVURJKSA-N 407.373 1.947 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588055464 WBKMXGGZATXUAM-ROUUACIJSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC(C)(C)C 1588089203 GMRVNYWMMHBUQI-NRFANRHFSA-N 401.511 1.308 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1588314642 LVKJJTGZKAWDFR-ZDUSSCGKSA-N 403.284 1.895 30 10 HDEE C[C@H](CC(=O)NCc1nc2cccc(F)c2[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1588438480 ZIPXXCIWLVZLEA-LLVKDONJSA-N 415.450 1.836 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588790913 GYCUSAXSBRGSCI-SFHVURJKSA-N 410.497 1.754 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)N(C)C)CC1 1588856960 GAEPXNNVBRSAHU-UHFFFAOYSA-N 419.533 1.584 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1589163101 IBMYDNBODSYJMR-KKXYHZGYSA-N 418.538 1.974 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1589482057 FMZSKOHEJAHUGQ-BDXSIMOUSA-N 403.527 1.702 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1594608349 JVEQSSMXGVRTCQ-UHFFFAOYSA-N 410.482 1.612 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1595529844 JRSNKSHSFLABCW-DOTOQJQBSA-N 409.494 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H]1c1cnn(C)c1 1595785284 VLQSLUWAMDRFLK-KRWDZBQOSA-N 415.523 1.949 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1598020672 FOACIXLZCGEWGD-STQMWFEESA-N 411.462 1.711 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CCO2)cc1 1598186014 QMSRLNYVZRCRBK-SFHVURJKSA-N 413.455 1.031 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)o1 1612045154 HCPDZVPMJYRGJL-OAHLLOKOSA-N 405.480 1.400 30 10 HDEE COc1cccn2c(=O)n(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)nc12 1613872658 SITTTYZEXJSDLL-QGZVFWFLSA-N 424.436 1.053 30 10 HDEE C=CCOC[C@@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)OC 1626204942 RFEBEQXFDHQGSE-CQSZACIVSA-N 413.268 1.429 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)n1 1626713338 GPLYSATXUGRYCB-UHFFFAOYSA-N 400.483 1.937 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@](O)(CC#N)C1 1627464932 XXJVULNCWQASKK-CQSZACIVSA-N 415.187 1.999 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCC[C@@H]2C(N)=O)C1 1630246377 CQMFPGACIWRPJH-GJZGRUSLSA-N 405.296 1.917 30 10 HDEE C=CCn1c(SCC(=O)NCCNC(=O)NC)nnc1-c1ccc(Cl)cc1 1630704438 RWUVLCSGTOSJGB-UHFFFAOYSA-N 408.915 1.922 30 10 HDEE CN(CC#N)C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1631669101 NJIQJEOQPWIQAU-LJQANCHMSA-N 406.442 1.751 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(C)(=O)=O)c(OC)cc1N)C(=O)OCC 1632067321 PFTAATZCHLXJJH-LBPRGKRZSA-N 404.872 1.485 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)Oc2ccc(C(F)(F)F)cc2)CC1 1634876435 PGMQSSHGOLUOMT-UHFFFAOYSA-N 411.424 1.756 30 10 HDEE C#CCN1CCC(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 1635160201 IZBLZLKXVHGRMV-UHFFFAOYSA-N 407.521 1.110 30 10 HDEE C[S@@](=O)C1(C(=O)NCc2cncc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1635329338 RFMMFSONBGEHJP-MUUNZHRXSA-N 406.508 1.718 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 1635680182 OSXCOVVSNSLREX-BEFAXECRSA-N 414.897 1.991 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)C(=O)N1CCOCC1 1636415836 LWOKVLXOTGBBNW-PMACEKPBSA-N 414.506 1.915 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)n1Cc1ccccn1 1637505946 LQAWLVIWDFTSOX-UHFFFAOYSA-N 404.430 1.379 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCc2cncc(C#N)c2)CCCC1 1638830965 XYJCALJSRMPYEI-UHFFFAOYSA-N 403.464 1.466 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)co1 1638906513 VLGXYPFUDHJWLN-HNNXBMFYSA-N 403.464 1.513 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H](C#N)CCc1ccccc1 1638991608 HJROUQIABPHVTR-IRXDYDNUSA-N 406.504 1.726 30 10 HDEE C=CC[S@](=O)(=NC(=O)COc1nsnc1N1CCOCC1)c1ccccc1 1640208651 SCBRCKAAVDCYRY-HHHXNRCGSA-N 408.505 1.993 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cccc(F)n2)CC1 1641173102 FRHMPUNFMRSFHI-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CSC1 1641188683 JIHYAWOEQAPBDA-INIZCTEOSA-N 402.516 1.672 30 10 HDEE C=CCn1c(SCC(=O)NC[C@H](O)CC(=O)OC)nnc1-c1ccc(Cl)cc1 1642181352 PTFCUKMOTQNJQK-CQSZACIVSA-N 424.910 1.917 30 10 HDEE C#CCONC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1645285454 KAFNFBRGPMQCPO-DZGCQCFKSA-N 400.294 1.724 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[C@@]2(O)CCCOC2)s1 1646347544 XQGJEEFICVEASK-GOSISDBHSA-N 416.565 1.439 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC(O)C1 1651414754 ZSILVCHXUGGTKA-UHFFFAOYSA-N 415.494 1.268 30 10 HDEE CCCCN(C(=O)Cn1cc2c(c(C#N)c1=O)CCCC2)[C@@H]1CCS(=O)(=O)C1 1652860911 GTGKXBDXVDXBFC-MRXNPFEDSA-N 405.520 1.415 30 10 HDEE CN1CCN(CC2(C)CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1653234847 VOKUGTLJVIZYJJ-UHFFFAOYSA-N 408.546 1.636 30 10 HDEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N(C)CCc1cccc(C#N)c1 1655381442 OUVKEQSCJRAJNA-CVEARBPZSA-N 414.531 1.946 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@H]1C(=O)NCC12CCOCC2 1655709846 YAKIEXKURFEIRY-KSSFIOAISA-N 402.520 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nc(Cl)c(C#N)s2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655917505 KBGWMSGMKDYLBE-ZJUUUORDSA-N 418.928 1.891 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)CC1 1658188371 ZHJXIHAEFDDTLF-UHFFFAOYSA-N 421.519 1.862 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)no1 1663379484 REXOGFOUDCIUBK-INIZCTEOSA-N 422.459 1.812 30 10 HDEE CC[C@@](COC)(NS(=O)(=O)c1cc(Br)ccc1C#N)C(=O)OC 1664297389 GCEIIHDPBAWBFH-AWEZNQCLSA-N 405.270 1.567 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 1668498231 CKTOLZMUYJJFIB-BDAKNGLRSA-N 409.390 1.466 30 10 HDEE Cc1nc(C)n(C2CN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)C2)n1 1669180540 ACIBEEJOMJPYIX-UHFFFAOYSA-N 414.260 1.914 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)n1 1672542952 XRWOMPUDTDUVMC-INIZCTEOSA-N 413.457 1.417 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[C@@H]1CCS(=O)(=O)C1 1678516529 XMUDQYUMWMHKGX-MSOLQXFVSA-N 420.922 1.958 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CCOCC1 1682008671 OOJFLVKVTYEIPG-UHFFFAOYSA-N 401.435 1.115 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)nn1 1683314940 CUXMNLXVGBILRG-OAQYLSRUSA-N 409.538 1.566 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCOCCCNC(=O)OC(C)(C)C)CC1 1684550887 SVFXGOWUCJNOCS-UHFFFAOYSA-N 412.487 1.406 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1689916661 QTOOVUKBKPUJLV-UHFFFAOYSA-N 403.508 1.445 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1Cc1cccc(S(=O)(=O)NC)c1 1689971288 WEXFHBAZSYJXAM-UHFFFAOYSA-N 415.544 1.956 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(OCCN(C)C)cc1 1690011972 KXOKTIBYHPDIKG-UHFFFAOYSA-N 415.501 1.797 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC2)CC1 1690146656 SZKWJAYRMZFAQL-AEFFLSMTSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690186889 WWEBGBGMPMMYRH-JKSUJKDBSA-N 404.540 1.536 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@]1(OC(C)C)CCOC1 1690677221 RIBVOGFXPYOEBO-ZOCZFRKYSA-N 403.527 1.713 30 10 HDEE CC(C)N(CCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1692478712 BMXVZDCGJGCSMK-GOSISDBHSA-N 417.558 1.752 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCCO1 1693845044 COZQGIDCUKTUJT-GUXCAODWSA-N 419.505 1.172 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CC1 1694325827 FHABYIIAIWBJJD-YMGMXPECSA-N 410.519 1.550 30 10 HDEE CC/C=C\Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1694990615 SGFFYKXCCYGQFN-ZHNMKYCWSA-N 407.544 1.031 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1696584501 HLPWXGVKBBKTAD-ZWKOTPCHSA-N 421.505 1.352 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1cnn(C)c1 1705550170 SXRQDHJLWUZCGP-UHFFFAOYSA-N 416.489 1.628 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(C)C 1705574171 WWHORKSENMTMNC-ULQDDVLXSA-N 407.540 1.022 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)nc1 1705626578 BIIXMPQXRGRGRH-UHFFFAOYSA-N 408.462 1.844 30 10 HDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705740883 ZNODIDZZTQNHSZ-FIKGOQFSSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(C)C)C1 1705909485 YQYGCEPFFCFHLN-BQFCYCMXSA-N 407.515 1.166 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)C1 1706516502 CIVVUIZLTNHFGO-SJLPKXTDSA-N 400.531 1.631 30 10 HDEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1712231418 ZZWJNPRYPURPHN-HXUWFJFHSA-N 413.482 1.713 30 10 HDEE C#CCOCCC(=O)N1CCC([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1722105761 KAFIBXWUNFWFIM-YENHRIDLSA-N 400.519 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722276038 GPFQCJJXAYLXDZ-KXBFYZLASA-N 410.540 1.355 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722320046 RSJWFWBEOGFVNR-RBUKOAKNSA-N 414.554 1.328 30 10 HDEE C#CCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722338118 MBUOQSJFJNYYBE-IBGZPJMESA-N 411.506 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)COC 1722379816 ZGOZVWRWPCZUQG-MRXNPFEDSA-N 414.535 1.594 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CC1 1722386949 CJHTXTWBALXUAD-UHFFFAOYSA-N 419.551 1.237 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCCS2)CC1 1722433452 VTWRDDHKJCBGQI-WIYYLYMNSA-N 419.595 1.971 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1722641846 FVVQDLMZVSDUBF-HNNXBMFYSA-N 400.508 1.574 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1722665203 HOGNPWZYDFKMRH-FQEVSTJZSA-N 424.567 1.933 30 10 HDEE CC(C)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1723134934 HALUCKVXGXPUMS-AWEZNQCLSA-N 400.574 1.518 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCc2nccn2C1 1730762256 CDAHWRIKZYNRBK-MSOLQXFVSA-N 413.526 1.998 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1740600111 IELSRGZXHSQIDO-UWJYYQICSA-N 414.510 1.400 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ncccc1N(C)C 1740658312 JUKXKKYNFVVGTC-UHFFFAOYSA-N 405.506 1.373 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCC)CC1 1740689207 RHEAKEULCRNODP-SFHVURJKSA-N 401.559 1.046 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cscn1 1740710522 ZWLSNUNPDLQUBI-LBPRGKRZSA-N 414.582 1.348 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1740716006 RRRAVMKFUALUNY-UHFFFAOYSA-N 414.535 1.310 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1740722087 DFUKZWBAQVZAKP-WFXMLNOXSA-N 419.595 1.970 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCC[C@H](C2)C3O)nnc1[C@@]1(OCC)CCOC1 1740722438 JEZMXQLXARNRJG-PGGWPXBNSA-N 420.579 1.894 30 10 HDEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1741538698 CZKPZGYBAQQGOH-UHFFFAOYSA-N 417.535 1.849 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1743254570 LMGMEQFQUMWWDM-ZQIUZPCESA-N 407.478 1.897 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746291113 UUHVIFRHIFFAOU-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1748638529 QPMNMOINIFVYHS-CQSZACIVSA-N 404.515 1.741 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2)CC1 1748825581 ACGZYNMCRCXZMV-KRWDZBQOSA-N 411.531 1.693 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1748906729 XUWAZCQRYTWNIJ-TZMCWYRMSA-N 408.528 1.756 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1748908212 VXZAXPLCRYFPIR-VXKWHMMOSA-N 415.538 1.789 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccnc2OCC(F)F)CC1 1748999657 AGXBSCSQJDJBLZ-UHFFFAOYSA-N 420.464 1.657 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1 1749055395 IWVORAZWJTVFEK-VLCRHTCISA-N 417.554 1.643 30 10 HDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749711249 YSIYKMJOTDFQGP-UHFFFAOYSA-N 412.498 1.046 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]2CCC[C@H]21 1749721254 FCBQPOPKNQBBGU-IAGOWNOFSA-N 421.567 1.884 30 10 HDEE Cc1ccc(OCc2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)cc1 1751551809 DSSAQQDMKLAMEN-KRWDZBQOSA-N 412.494 1.763 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1760168158 PYHFVPVUQXLIRJ-LJAQVGFWSA-N 410.507 1.291 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](C)C2)CC1 1760261543 NEONTTJBBSYPBN-KZNAEPCWSA-N 405.568 1.372 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1760440527 LUBIFESYZRSCNN-JXFKEZNVSA-N 424.567 1.921 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760451302 FGNRXYQVZUQECS-INIZCTEOSA-N 404.515 1.542 30 10 HDEE C=CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1760472292 CXCUPIIAIMZQSA-HNNXBMFYSA-N 402.524 1.776 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(=O)NC)CC1 1760518935 MNNYDDIXXJQPJL-UHFFFAOYSA-N 416.913 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760555226 AJPAMTFNOLWTME-DOTOQJQBSA-N 420.539 1.458 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1761362735 HPLUCLBSRXWFNC-OWCLPIDISA-N 417.539 1.693 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1=O 1765474732 ORSUENZZZLTIIA-KRWDZBQOSA-N 400.458 1.860 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCC1 1769843344 GZWHWYXLODGDOG-UHFFFAOYSA-N 402.455 1.287 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC(C)(C)C1 1770250993 CESHHVITCXSUGI-UHFFFAOYSA-N 400.483 1.837 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1770726823 AIHOKBXKWWFQJN-OXQOHEQNSA-N 420.489 1.504 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOc2ccccc2)CCO1 1771539227 QVKCJFCQDLHLTO-SFHVURJKSA-N 410.478 1.598 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(F)(F)C1 1771564243 BSMCLPUVQNQQOE-SXXBIRCQSA-N 422.436 1.544 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)CC1 1848998268 QKPWYHQMSPFYMG-UHFFFAOYSA-N 408.499 1.331 30 10 HDEE N#Cc1cccc(C(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1851589967 LTWDNWQQIXBBHB-FUHWJXTLSA-N 407.401 1.866 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2[nH]nnc2-c2ccccc2)CC1 1852035332 IVEJAMXAULNUIP-UHFFFAOYSA-N 403.446 1.717 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3ncc(C(F)(F)F)cc3C#N)C2)cc1=O 1852313209 PDNNMBZXHUMXDR-NSHDSACASA-N 406.368 1.921 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3nc(-c4ccccc4)n4c3COCC4)CC2)n1 1853220118 IXLPAYXIRUAOTB-UHFFFAOYSA-N 415.457 1.704 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C[C@@H]([C@@H]1CC=CCC1)N1Cc2ccccc2C1=O 1853323814 PINHIOVBHBMWBE-XLIONFOSSA-N 414.527 1.922 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853955526 YOGGSHQQRRGJQW-PBHICJAKSA-N 404.492 1.482 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCOC3)C3(CCCCC3)C2=O)CC1=O 1854006793 AADDRSLPZVWCHT-OALUTQOASA-N 417.550 1.821 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)c1 1854025825 QLIWKXMRWOBRER-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC[C@H](Cn4nccn4)C3)CCC2=O)ccn1 1854732252 SBXJTEIBBTVDJH-DLBZAZTESA-N 407.478 1.336 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)C2CC(C)(C)C2)C1=O 1854957884 POLHSVIYTAVQCP-GOSISDBHSA-N 410.522 1.813 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1855647509 WHOIBLQFZVRUQD-QGZVFWFLSA-N 403.504 1.993 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)c2ccc(N3CCOCC3)nn2)C1=O 1855853972 OZNXWMDIHJJQBZ-HKUYNNGSSA-N 413.522 1.875 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C1(C)C 1856107171 RDDYNJILFCQRNI-AWEZNQCLSA-N 416.547 1.794 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)[C@@H]4COCCO4)C3)CC2)c(F)c1 1856165956 WDVSLKCBAXRKDA-ICSRJNTNSA-N 415.465 1.700 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1856869187 YRCWRWHUYDIWCV-HKUYNNGSSA-N 402.539 1.099 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCCN([C@H]4CCOC4)CC3)CC2=O)cc1 1856922637 ARXDWVJGJIESLT-RTWAWAEBSA-N 410.518 1.272 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(F)c(F)c2F)C1)[C@@H]1CCN(C)C1=O 1857263501 HLCOJXHEONXIQV-IUODEOHRSA-N 409.408 1.811 30 10 HDEE C=CCN(CC=C)C(=O)c1cn(Cc2ccc(S(N)(=O)=O)cc2)c(=O)cc1O 1870123179 HXNJHVAOMRWTLP-UHFFFAOYSA-N 403.460 1.064 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCOCCO 1870529284 FTYRRNCNFXMTLX-GOSISDBHSA-N 421.538 1.325 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCN(CC)CC1 1870670745 GGAWHEYWALJZCU-UHFFFAOYSA-N 407.511 1.130 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908254977 YNUKKVZTUOLWHF-COMQUAJESA-N 423.319 1.306 30 10 HDEE Cn1nnc(Br)c1CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2023964720 UUBVXOSHDJASTC-UHFFFAOYSA-N 400.277 1.501 30 10 HDEE CC[C@]1(NS(=O)(=O)N2CC(C#N)C2)CCCN(C(=O)OCc2ccccc2)C1 2054405154 JELGRMXOUBXAHY-IBGZPJMESA-N 406.508 1.858 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)[C@H](C)CN1C(=O)OC(C)(C)C 2174780746 XTGUGZFSJPHJTH-HUUCEWRRSA-N 401.529 1.966 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@H](CNC(=O)OC(C)(C)C)C1 2174785517 ZWJIAJKNMCIDCA-QLFBSQMISA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CN(S(=O)(=O)N1CC[C@H](C#N)C1)C2 2198269167 CWFRNZXEINNQSH-XYPHTWIQSA-N 402.492 1.548 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2212732180 JCFAQGUWTCZEQL-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE COC1(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243379802 PHPGIPZIIBHYDC-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE C[C@@H](CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243402296 GAWLFRAHWKIZLY-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2243701931 IZLMHAVUBYDUTN-UHFFFAOYSA-N 408.304 1.499 30 10 HDEE CC(C)[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2247916617 AYVDAYGORAOUGN-CQSZACIVSA-N 422.335 1.988 30 10 HDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247919728 SLBLDLRBLFOHSE-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3nc(CN)cs3)s2)OC1(C)C 2267712188 CLKUGDGOUURPPL-UHFFFAOYSA-N 401.344 1.763 30 10 HDEE CC1(C)OB(c2ccccc2CNS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2277957575 YTOWPBAAFXYUFG-UHFFFAOYSA-N 409.313 1.311 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCCS1(=O)=O 2281960405 ZFJKSCDFPOBCLN-LLVKDONJSA-N 400.331 1.058 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(C)(C)CN1 2282336956 ICHKVFCEBSBZKL-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@@H](N)CC3)s2)OC1(C)C 2282410332 VZWIRPAUFBHYSQ-BETUJISGSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H]2C(F)(F)F)OC1(C)C 2282413743 IUXNWDUKJKDFHV-SNVBAGLBSA-N 412.264 1.909 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CN 2282418095 GKKUROMBYASBFY-YVEFUNNKSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](N)[C@@H](C(F)F)C2)OC1(C)C 2282488590 CUSVROHFQRPNQK-GXSJLCMTSA-N 408.301 1.260 30 10 HDEE CO[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499432 PAOSXJICLSMVQL-OKILXGFUSA-N 401.359 1.986 30 10 HDEE COCCCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502914 RJCGXSMZUGWPHD-UHFFFAOYSA-N 404.363 1.678 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282505415 CZFJREBTTFSFLD-TZMCWYRMSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCOCCO2)OC1(C)C 2282507617 KAQHXTDMFCNVGM-UHFFFAOYSA-N 403.693 1.592 30 10 HDEE CN(C[C@H]1CCNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830516 VMUWFSZOXRVZMO-NSHDSACASA-N 420.793 1.931 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(F)C[C@@H](CO)C3)c2)OC1(C)C 2282849414 BAZWMUYCZFZQOZ-AITUWYQGSA-N 405.322 1.436 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@@H]2O)OC1(C)C 2282870961 ZRWZRVBDQWVLHR-DIADJTQKSA-N 421.286 1.062 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC(=O)O)C2CC2)OC1(C)C 2284396911 ZOHCHTHZEXDGTH-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE C=CC[C@H](O)[C@@H]1CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2314235835 WBJLEWAWTHBOJD-BXWFABGCSA-N 410.467 1.352 30 10 HDEE Cn1nc(Br)c(Br)c1CNCc1csc(C(N)=NO)n1 2364427447 GKHHYCZKLNRSNI-UHFFFAOYSA-N 424.122 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365204200 MHCBPEQJBPOHAP-KUHUBIRLSA-N 402.557 1.681 30 10 HDEE COc1[nH]c(=NCc2nnc(Br)n2C)ccc1B1OC(C)(C)C(C)(C)O1 2365349110 ZPNLGLWYJSOFRF-UHFFFAOYSA-N 424.108 1.314 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)COC1CN(C(=O)OC(C)(C)C)C1 2367789993 UYDPNXJGYUQIPE-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2367801313 QTMCUSFMIYJYQI-CVEARBPZSA-N 400.541 1.429 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2367802086 XZLHNJYYDUAALM-YJBOKZPZSA-N 400.541 1.571 30 10 HDEE COC[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCCCN1C(=O)OC(C)(C)C 2367802102 YCZZUVMSQGECKM-DNVCBOLYSA-N 401.525 1.734 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2367803062 HRPOTEQWHRMGFJ-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE Cn1nccc1S(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369895988 XOLXJYOGAFKXNJ-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2F)CC1 96323289 JKTCIURYWBOQJS-UHFFFAOYSA-N 405.455 1.194 30 10 HDEE CN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)cc2C1=O 109893575 NIAWIYLBDYGSBP-KRWDZBQOSA-N 420.450 1.938 30 10 HDEE N#Cc1ccc(O[C@H]2CC[C@H](NC(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)nc1 238921815 UBBGKLSTSACHEM-LNLFQRSKSA-N 412.490 1.787 30 10 HDEE C#CCN1C(=O)[C@H]2[C@H](C1=O)[C@@](Cc1ccccc1)(C(=O)O)N[C@H]2c1ccccc1C 248063898 FDHMNFFVQPFIFF-VKDGWMQASA-N 402.450 1.940 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 409512428 IQVXYUVVWYADPP-CZUORRHYSA-N 406.487 1.715 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3ccccn3)CC2)cc1 435777336 MZNMLBARQYHMGM-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1 439313988 IHXDNAHQCKVGMB-QAETUUGQSA-N 415.446 1.559 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 448376593 QAMQVAYHESAVIY-GASCZTMLSA-N 409.508 1.505 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 460768558 HSVZWUNLHVDDQO-QGZVFWFLSA-N 409.556 1.956 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)NCc3ncccc3O)ccc21 473065625 PJBJVESYEQGVFM-UHFFFAOYSA-N 407.430 1.625 30 10 HDEE C=CCN(C(=O)Cn1cnc2c(cnn2C)c1=O)[C@@H](Cc1ccccc1)C(=O)OCC 474220052 UNFOJVIPBKFVHV-SFHVURJKSA-N 423.473 1.319 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1C#N 489629455 OPPGJONQHSCOPB-FQEVSTJZSA-N 400.504 1.519 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 501584028 ZYEVYJJMIQMDAR-MRXNPFEDSA-N 422.507 1.490 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)NC1(C#N)CCOCC1 503415312 PDFYEZCUZHCYGY-UHFFFAOYSA-N 401.282 1.964 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 508685479 ZLYYIRGNLAHPCX-UHFFFAOYSA-N 411.422 1.560 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)CC1 508771351 JKWVNJWXKFBSHJ-HXUWFJFHSA-N 423.517 1.219 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 513434843 NAPXXYILMCOQAV-UHFFFAOYSA-N 410.503 1.436 30 10 HDEE CCn1c(O)nc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2c1=O 513779696 JQOZNBJIQUAAAT-UHFFFAOYSA-N 404.430 1.351 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)CC1 514411600 FUKNVCLTRTUSFM-LJQANCHMSA-N 402.495 1.696 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)c2cc(C#N)c(SC)nc2O)C1 523200637 IJYMJRLLTYLKTQ-GFCCVEGCSA-N 420.491 1.254 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)c1C#N 536299894 OTLNZILHPHDKNP-KXBFYZLASA-N 410.478 1.600 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCCC1 545356597 GGMOTOAYVBTXLC-LJQANCHMSA-N 418.563 1.887 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(c2cccc(C#N)n2)CC1 546208482 AKVWVJXIQBBGLU-SFHVURJKSA-N 420.517 1.836 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 555268106 GESJVDHCUYQBQT-QZTJIDSGSA-N 402.543 1.637 30 10 HDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 557705638 ULJYJUYXKLGXME-SFHVURJKSA-N 423.538 1.487 30 10 HDEE C=CCn1c(Cc2noc(-c3cnc(OC)c(Cl)c3)n2)nnc1N1CCOCC1 558310758 DLDKAIYDSBGEBR-UHFFFAOYSA-N 417.857 1.999 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1=O 568741347 GPNIKGVGSCRCCW-UHFFFAOYSA-N 416.297 1.190 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CC1 584753418 RDFYDOFQZRVYEV-CYBMUJFWSA-N 407.434 1.918 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2nnc3ccc(C(F)(F)F)cn23)c(F)c1 585694361 JUCMNICYCKVODY-UHFFFAOYSA-N 420.326 1.691 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 609518065 SCBKQXQOCIEHTP-QGZVFWFLSA-N 407.430 1.212 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 613980992 UCHLREJMXNOXNR-QZTJIDSGSA-N 415.494 1.674 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N2CCSc3ccccc32)C1=O 726043713 QQSHINAMHACEJS-GFCCVEGCSA-N 417.443 1.034 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418567 SYYVHXKFRCALFZ-UHFFFAOYSA-N 421.478 1.709 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2cccc(OCC#N)c2)CC1 727622277 QJCGWDKXTVGPBZ-UHFFFAOYSA-N 410.430 1.850 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCCOC)c1 730144494 NVOZMZRGNWVDBU-GOSISDBHSA-N 416.547 1.704 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1 732155467 BRMKBFQGUQBOEO-WDWGUKLMSA-N 412.446 1.081 30 10 HDEE Cn1cnnc1Sc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1[N+](=O)[O-] 732650090 FLFQMQVZKZAIDI-AWEZNQCLSA-N 413.463 1.687 30 10 HDEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl 732705915 IXOCOWQQMVELTI-AWEZNQCLSA-N 404.854 1.654 30 10 HDEE Cc1ccnc(S(=O)(=O)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)c1 733866074 MQNNSBBTQDWOFR-UHFFFAOYSA-N 407.473 1.586 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 747933645 RMDZWTOSNKZBDI-VXGBXAGGSA-N 421.479 1.253 30 10 HDEE CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 752215692 UDKHPRAISYDDEO-XHSDSOJGSA-N 419.459 1.272 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)CCCCC1 760400819 QHJFXBRLKSXSKC-UHFFFAOYSA-N 410.496 1.161 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nc1I 761160832 PCKXDQLIJVSPDA-LLVKDONJSA-N 412.231 1.507 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 766795219 QGPOXFCYTNBHEF-LJQANCHMSA-N 400.456 1.517 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 767702305 GSZZFZIKAUMVCO-HNNXBMFYSA-N 410.492 1.792 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1nccc(C#N)c1[N+](=O)[O-] 771181314 OPSYCUNHGQFQJI-UHFFFAOYSA-N 404.427 1.377 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771316363 NIZXFHHOSCTNMQ-OAQYLSRUSA-N 417.462 1.348 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 774245995 GDDHAIVXNHFWTC-SXLOBPIMSA-N 403.548 1.871 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 774248303 QICDYWLBSWTZRT-HZPDHXFCSA-N 409.895 1.277 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnc2sc(C)c(C)n2c1=O 776091429 JDCBYJMLBRPWIS-UHFFFAOYSA-N 402.457 1.672 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N2CCCC2)n1 790105265 VWVQEBXJGDZTPB-VQTJNVASSA-N 400.523 1.920 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccn(Cc3ccccc3)n2)c1 791309048 ZUUSUEZWVXHQJY-UHFFFAOYSA-N 408.483 1.773 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cccnc3F)CC2)cc1 793199669 SPJPDVSGEBFCNM-UHFFFAOYSA-N 403.439 1.308 30 10 HDEE Cn1cc(-c2cc(F)ccc2NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 794131688 NSQVHJVXTMCYSL-UHFFFAOYSA-N 413.434 1.903 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)c(C(=O)OCC)c2)n1 795959853 LBRBPGWYXVSDIK-UHFFFAOYSA-N 419.503 1.839 30 10 HDEE N#CCC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 797562630 ADVVTYQURLROLK-AWEZNQCLSA-N 403.460 1.434 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c1 803923439 NJJVNKVUJDGEKT-UHFFFAOYSA-N 402.403 1.802 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 812079297 JJAITBFDAJZOMD-KRWDZBQOSA-N 408.466 1.808 30 10 HDEE Cc1ccc(C(=O)OCc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 813161639 LMOVGIMGRLDVSY-UHFFFAOYSA-N 401.444 1.640 30 10 HDEE C=CCN1CC[C@H](N(C)C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1=O 816598411 ARQKWIGDNRPWHM-SJORKVTESA-N 408.543 1.468 30 10 HDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914551991 QTWBJCJOUFQWMN-MRXNPFEDSA-N 406.483 1.952 30 10 HDEE CC(C)CN(C(=O)CON=C1CCC2(CC1)OCCO2)[C@H]1CCS(=O)(=O)C1 917403638 SQUNCFOSZGHPBC-INIZCTEOSA-N 402.513 1.348 30 10 HDEE C[C@]1(c2cccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)NC(=O)NC1=O 1116860101 DFNLEOYUXXMHAO-HTAPYJJXSA-N 401.426 1.612 30 10 HDEE CO[C@](C)(C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1127911491 FHALDIRJMMMXGD-HRAATJIYSA-N 401.463 1.917 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1134203817 VNRYVNKRWLAINA-NSHDSACASA-N 401.282 1.735 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(Nc3nccc(C)n3)c2)CC1 1136633024 XIZPJEWEJBFPIY-UHFFFAOYSA-N 406.490 1.426 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1141496869 VRVLIICAEBJFSR-UKRRQHHQSA-N 402.310 1.153 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)cc1 1141562523 USMAKHRMYOLFIV-UHFFFAOYSA-N 419.894 1.820 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2Cc3ccccc3C2)s1 1142830733 CRSVLZSCZDAYBN-UHFFFAOYSA-N 405.545 1.887 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC(=O)NC)cc2)c1 1144512327 RIHRXOGPUOHNJM-UHFFFAOYSA-N 400.456 1.861 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)C2)C1 1152269244 NVCDCNSPAFSDMZ-BITMVSNFSA-N 416.522 1.900 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1C#N 1160493910 SZCIOHMWSBHSEV-HNNXBMFYSA-N 412.469 1.602 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O 1188422942 GJYBNSHGFZYPFF-HNNXBMFYSA-N 406.483 1.191 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](O)C1 1190989102 SYBNZQUMMJTARY-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(OC)cc(C(F)(F)F)c2)CC1 1211638627 IRYZCSBEYZOWOY-UHFFFAOYSA-N 404.410 1.864 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)[C@H]1CCCO1 1219299491 MAGFVAAFKIBFLT-CZUORRHYSA-N 410.396 1.944 30 10 HDEE C#CC[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1225797277 MDZKEIXFMKBDHQ-CJNGLKHVSA-N 408.296 1.936 30 10 HDEE C#CCCCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1230340073 MIEROCXPBSNDOS-OAHLLOKOSA-N 401.529 1.513 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286272879 CHHDRZUYFQIMQR-WFXMLNOXSA-N 405.543 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1286277073 WLMQHBREEZVATC-UWJYYQICSA-N 403.527 1.253 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@](C)(O)CC)c1 1286309370 KSNHTYVDDHUANR-QFIPXVFZSA-N 419.489 1.952 30 10 HDEE C#CCCCn1c(C2CCC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286347638 PKJOIKDKPYAXOM-SFHVURJKSA-N 421.567 1.590 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286385673 YOFXAGPAEPJIJU-RTBURBONSA-N 407.584 1.581 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286385871 QKAAPDKITULIOM-RHSMWYFYSA-N 418.567 1.817 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286450619 FENYDJGOUKZVCP-LIRRHRJNSA-N 423.539 1.465 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286482206 NGCLPEHKDJBCRU-NRFANRHFSA-N 421.549 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(C)CCOCC2)CC1 1286495021 XEPGNSDVUJACPC-SFHVURJKSA-N 415.538 1.565 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncn(C)n1 1286757951 ZEBIPPOBBQXQJZ-UHFFFAOYSA-N 420.525 1.807 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CCC(=O)N(C)C)CC1 1292879419 AGUFWCYHYCPUME-QGZVFWFLSA-N 408.543 1.352 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CN3Cc4ccccc4OC3=O)C2=O)cc1 1297336079 UMJCFRDVZAEYGN-SFHVURJKSA-N 404.426 1.790 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1297779202 XDNCKQKTKACKJU-HUUCEWRRSA-N 418.523 1.370 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)NC(C)C 1300321213 LUEGHXMTPQGVHA-KRWDZBQOSA-N 419.551 1.951 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300401162 OPTAAMFUQLPENE-KRWDZBQOSA-N 407.478 1.520 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)NC(=O)OC(C)(C)C 1300455152 GQGNQCSFYGUKDD-CYBMUJFWSA-N 416.482 1.988 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300495667 JGPCITNHDXKGLY-BXWFABGCSA-N 410.540 1.307 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N(C)c2ccccc2)CC1 1300681306 MFGGVQOJACZFMF-LJQANCHMSA-N 423.565 1.696 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC1 1300701151 IMXVYNISDIRPOC-UHFFFAOYSA-N 407.497 1.853 30 10 HDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1300722213 WEZRTCDUEHRWBV-QRNKSROTSA-N 412.560 1.832 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1300805448 CYXXXEJWUUCNIB-MGPUTAFESA-N 415.519 1.624 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1301391731 XQQLJIMQARBUTN-QGZVFWFLSA-N 417.535 1.414 30 10 HDEE Cc1noc(C)c1[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1304876407 FVCGHAONGKIRAN-BBRMVZONSA-N 413.482 1.538 30 10 HDEE C#C[C@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1310455767 IXHCWEHMEOEMKV-LJQANCHMSA-N 408.524 1.697 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@@H](N4CCNC4=O)C3)CC2)c1 1312944216 CRAAKUCTRBPORA-HXUWFJFHSA-N 410.522 1.722 30 10 HDEE Cn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@](F)(C#N)C1 1314916210 DEAQDARXKOYFHO-SFHVURJKSA-N 402.384 1.766 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1315057130 YVTWORRSMXGCDW-MRXNPFEDSA-N 401.446 1.263 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccncc1Cl 1316297912 RCTVAIWZYMRQAQ-UXLLHSPISA-N 418.885 1.828 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOc2ncccc2F)CCO1 1316538157 HSRBUPMBYNFNCE-LSDHHAIUSA-N 402.430 1.514 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1320367888 KOASUWCMRLOXMV-RDJZCZTQSA-N 423.491 1.799 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(Br)cn2ccnc12 1351734798 CBMJPZWVLFZCKM-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1356231932 RCTJRKZDEJEWKG-FQEVSTJZSA-N 401.507 1.770 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCOC1 1359021083 AYCLTRPFFZCMLI-HXUWFJFHSA-N 420.897 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@](C)(O)c1ccco1 1359027047 UDHPHLMKPYNXKB-NRFANRHFSA-N 412.494 1.726 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2ccc3c(c2)OCCO3)CC1 1359045610 NPMSWBGITQRROL-UHFFFAOYSA-N 423.517 1.820 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1359137105 FPLOQOGHIGUACS-SQNIBIBYSA-N 421.542 1.557 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359146373 WYPPAMFWGOULAK-UHFFFAOYSA-N 424.336 1.956 30 10 HDEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1359216003 NJQJOWHRFYJRRU-ROUUACIJSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1359302849 VPRLNYOFUUYVCW-GOSISDBHSA-N 419.489 1.619 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1359630562 YCAISCASIQZRJI-UHFFFAOYSA-N 401.515 1.416 30 10 HDEE N#Cc1cn(CCC(=O)NCCOc2cccc(Br)c2)c(=O)nc1O 1442074504 GUOHHFNLQAZRSH-UHFFFAOYSA-N 407.224 1.168 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 1452947396 LBYNXMSRAFVTRX-KRWDZBQOSA-N 407.879 1.682 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2nccn2C)C(F)(F)F)s1 1457384866 JCBHPSWCPBXEMY-CYBMUJFWSA-N 422.454 1.908 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 1470769707 ZQJLFQSEVPUPDL-CVEARBPZSA-N 409.939 1.998 30 10 HDEE CC(C)OC(=O)C1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1471930342 CUDOAEWUWKZSBQ-AWEZNQCLSA-N 421.519 1.694 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 1472118584 YIDOTOPPAAYNTE-AOMKIAJQSA-N 422.522 1.990 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-c2nnnn2C)s1 1472234149 XAVMRRMXVAOOCF-UHFFFAOYSA-N 418.504 1.584 30 10 HDEE CCOC(=O)[C@]1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 1473732849 XHZAHIAVTUENKC-JXFKEZNVSA-N 420.535 1.111 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](CNS(C)(=O)=O)C2)n(C2CCCC2)c1C 1473777748 WEOCMVQUKASJGK-INIZCTEOSA-N 421.567 1.901 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)CC1 1475292528 FMNULCVPKMXHLQ-UHFFFAOYSA-N 417.846 1.905 30 10 HDEE CCCN(CCC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1500841628 INWGYADBORUTSB-UFOSLELVSA-N 415.498 1.382 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1504525679 BJFVVTPYABRVHH-IPMKNSEASA-N 424.505 1.789 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1507650897 WSOSSGRUAHZEJL-QZTJIDSGSA-N 421.492 1.949 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cc(CO)nn1 1507691415 ANDKHOPNGUTMPK-UHFFFAOYSA-N 419.493 1.150 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1507942480 DCMUDHJKZDGLBD-CQSZACIVSA-N 409.560 1.841 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1)C1CC1 1507986810 IGWGEVGBFFILNU-UHFFFAOYSA-N 407.540 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[C@H]2OC)C1 1508132644 XUJCCVIIBXBBKX-RCCFBDPRSA-N 403.527 1.997 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1508160493 USZZKAUFJSTKJB-CABCVRRESA-N 402.528 1.581 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC=CCO1 1510191970 AJHUMDDOCHRWAH-MPGHIAIKSA-N 408.528 1.363 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1515476451 JKDGGBJQSFGBTM-PKOBYXMFSA-N 414.531 1.917 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1517710976 SNWXAPBTOBQTPL-UHFFFAOYSA-N 411.466 1.231 30 10 HDEE CN1C[C@@H](C(=O)NCc2ccc(C#N)c(Cl)c2)N(C(=O)OC(C)(C)C)CC1=O 1524084086 OJXDAZXUVDTNOR-HNNXBMFYSA-N 406.870 1.906 30 10 HDEE C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@H](C)COC 1528488646 DZEFOVJGHWFCOC-ZBFHGGJFSA-N 422.503 1.673 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc([N+](=O)[O-])cc(C)n2)c1 1535260067 WMWJBUVDBDJISP-UHFFFAOYSA-N 408.414 1.785 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1536221347 WIWSNKRHFUPLNK-JXFKEZNVSA-N 412.531 1.379 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)o2)cc1 1537006364 SXYHGBHXLRPAMQ-MGPUTAFESA-N 411.439 1.741 30 10 HDEE COc1cc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(OC)c1OC 1538308511 JANCEQSIRJCAHI-LIRRHRJNSA-N 408.476 1.042 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1539004669 MIXCIGVVSOQZPC-GJZGRUSLSA-N 408.462 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)NC 1539031608 LUJJKJCUZQCSSF-HNNXBMFYSA-N 405.524 1.427 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539222652 WYYUQNDVOQDGMW-ZWKOTPCHSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCc1cnn(C)n1 1539320656 XPWUPGCDNKVEQH-UHFFFAOYSA-N 417.473 1.898 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1539612300 KLTCXYAALGGTFS-ZACQAIPSSA-N 418.542 1.360 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCCC1 1540195859 KEJZNRROUCFHQX-UHFFFAOYSA-N 420.539 1.731 30 10 HDEE CO[C@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728296 BTIQUJKRZDBPDJ-HXUWFJFHSA-N 413.499 1.649 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C1CC1 1540869615 RQBAIDWVPVNDJX-HNNXBMFYSA-N 400.508 1.762 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCC)CC1 1540871040 BYNQVHNTPIRIGL-KRWDZBQOSA-N 418.542 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cnccn2)CC1 1540897294 GEOYPLJMRRRLJC-MRXNPFEDSA-N 419.555 1.509 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1541111514 MTLUOOGKZWZYSM-HMWBCQRISA-N 406.450 1.462 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1541279992 MMLPPNIVEDNNNW-UHFFFAOYSA-N 422.497 1.102 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CC2)C1 1541990370 FMNNGUULIGJNNZ-LJQANCHMSA-N 414.535 1.971 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1542995056 HHVMEQFMVHXDJR-INIZCTEOSA-N 418.505 1.882 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nnc(-c4ccco4)o3)CC2)cc1 1543122338 RZEMHOKSRNMYBC-UHFFFAOYSA-N 413.415 1.348 30 10 HDEE CCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NCCOC 1548372686 UPTDJOBLUBPIPD-MRXNPFEDSA-N 412.412 1.767 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC1 1554149759 OMWOAIXDROOFDY-UHFFFAOYSA-N 403.446 1.958 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCC(OCC(N)=O)CC2)o1 1555989170 AXCMFTYOUFKHLV-AWEZNQCLSA-N 414.466 1.156 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)CCO1 1555993570 QEIOIEMJJZGKAQ-SJLPKXTDSA-N 405.499 1.487 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1 1557988021 LIMMLMIHUFLYBV-UHFFFAOYSA-N 402.432 1.559 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OC 1558381452 JYKDMZSXPLGRHF-INIZCTEOSA-N 410.492 1.176 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 1560079539 AJHTUJKAONYKJS-UHFFFAOYSA-N 405.410 1.789 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1561676142 HFYOGLGZBOXCIC-KBRIMQKVSA-N 407.492 1.500 30 10 HDEE C#CC[C@H](COC)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1563691330 FRGWUKNOFJAJNR-SJLPKXTDSA-N 407.536 1.945 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1 1563924378 DSIHXSLSPIITKV-HXUWFJFHSA-N 414.550 1.962 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N3CCc4cc(C#N)ccc43)cc2S1(=O)=O 1584800064 FEZXTRRMOCDUHO-UHFFFAOYSA-N 411.439 1.552 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587723396 GYLIGNGXCXSEMK-NVXWUHKLSA-N 406.527 1.104 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587838529 YPQDGFJTXZLWDJ-NQIIRXRSSA-N 423.565 1.686 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1587868937 FMJKQMYXZOGMKK-UHFFFAOYSA-N 400.508 1.411 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1588139129 MFSGPJYVZKXOHY-UZLBHIALSA-N 404.536 1.194 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCOCC2)CC1 1588801133 VZNNIQXTJKQSHY-UHFFFAOYSA-N 409.538 1.208 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NC(=O)COC)CC1 1589528692 IFQLTLZMSNYZIH-LPHOPBHVSA-N 403.527 1.868 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1593740707 CWWNSVWDROAQPG-IRXDYDNUSA-N 404.515 1.668 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H](O)c2nccn2C)CC1 1596940860 BLFUYKOOERKJIE-SJORKVTESA-N 404.511 1.999 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](O)[C@H](F)C3)nnc12 1611695583 KYTQEKGTJRULAJ-UKRRQHHQSA-N 417.466 1.254 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)cs1 1612403106 NQZNCQMOUQNLIY-OCBCSQNSSA-N 406.487 1.616 30 10 HDEE Cn1nccc1[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1617864947 PSYDGYVLBYVKSQ-WMZOPIPTSA-N 422.445 1.097 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1618506107 FDWWBVBBANCCEG-AWEZNQCLSA-N 422.497 1.289 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(C(F)(F)CO)nn2)C1=O 1618551432 ZKJZZWCRNNRADA-OAHLLOKOSA-N 402.402 1.136 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1 1618707759 BKSRURMQQKSOJE-GOSISDBHSA-N 408.520 1.598 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1619970035 YXNOSWHZBPYYCK-HNNXBMFYSA-N 410.482 1.687 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CC1 1620515842 XWACADDJEGDDLZ-SIKLNZKXSA-N 416.497 1.856 30 10 HDEE C[C@]1(C#N)CN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 1620622814 CHOZVEOPYQDWDI-IBGZPJMESA-N 406.508 1.414 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cnn(Cc3ccccc3)c2Cl)CC1 1621495621 YYYLKIAWZOBRPQ-UHFFFAOYSA-N 407.927 1.170 30 10 HDEE C=CCNC(=O)CNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1624005533 JGTCXPDDRVNLRF-QGZVFWFLSA-N 404.511 1.430 30 10 HDEE CNC(=O)Cn1nc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1C 1624467307 PSDSWXYUSWPSCX-UHFFFAOYSA-N 403.483 1.527 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1625885989 ZUGNCHAFJQVHOY-KLHDSHLOSA-N 413.540 1.665 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1627414066 DJHRWVYABGJJAW-NEWSRXKRSA-N 418.902 1.955 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OC 1634885882 ZKZIPUGXZLCJSI-OPAMFIHVSA-N 413.474 2.000 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697105 IKYBYEJYUNSSCI-HRLGVUPISA-N 411.524 1.467 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC(n2nncc2I)CC1 1637389746 LKJNDXDOFLPNBR-LLVKDONJSA-N 417.251 1.268 30 10 HDEE CCc1nc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2nc1CC 1637512703 CMLHBJBDJUHUHR-UHFFFAOYSA-N 404.430 1.586 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C(F)(F)c1ccccc1C#N 1637855489 FZPJDFBMIMNLRX-AWEZNQCLSA-N 414.430 1.617 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1638046257 DDIUHKXHLYIGJO-HIFRSBDPSA-N 409.895 1.600 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OCC)c2ccncc2)c1 1638197408 DLWKRMYLUDHFQY-GOSISDBHSA-N 417.487 1.970 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2nc(C#N)cs2)c1 1639619232 MXEKYDYWMYECKM-UHFFFAOYSA-N 415.294 1.615 30 10 HDEE COc1c(F)cc(CC(=O)NC(C)(C)c2cccc(C#N)c2)cc1S(N)(=O)=O 1640366970 USCMOUFLIJSVFS-UHFFFAOYSA-N 405.451 1.947 30 10 HDEE C#CCN1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 1640396791 WKWWRBMVZJMEDC-HNNXBMFYSA-N 408.480 1.125 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)c1 1640535140 YUCLRQUOKLMQTG-KRWDZBQOSA-N 401.492 1.275 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3nccn3C)CC2)c1 1644769958 FSQSIEDKBVCKSB-UHFFFAOYSA-N 404.492 1.008 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCN(C)C)c2cccnc2)c1 1645040446 QQADJWKBJUKWBP-IBGZPJMESA-N 400.504 1.416 30 10 HDEE COc1cccc([C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)OC)c1 1646326960 GHRDKHQTABISHK-KUHUBIRLSA-N 417.487 1.738 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cncc(OC)c3)CC2)c1 1648185095 LQMDFYFKJQPTSR-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1648775793 AVHFNEFKWIPMPO-UHFFFAOYSA-N 405.455 1.069 30 10 HDEE Cn1c(=O)[nH]c(N2CCCC[C@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c(C#N)c1=O 1651463282 KWHZQWCLWIGLTF-HNNXBMFYSA-N 417.510 1.999 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1655391494 DQZQNFVUPXYCFG-CABCVRRESA-N 406.501 1.989 30 10 HDEE COC(=O)CC[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)OC(C)(C)C 1655862764 FIDNFYHZOZRQMK-ZDUSSCGKSA-N 400.428 1.639 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 1657701314 IGERYRGSFUVIIJ-HNNXBMFYSA-N 415.471 1.766 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(OC)c(Br)cc2F)CC1 1659907322 ZWEQCUWNWVPXGE-UHFFFAOYSA-N 420.304 1.182 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)C1CCN(C)CC1 1675308906 LQUDXAKXCXKJFZ-OAQYLSRUSA-N 402.514 1.938 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1679784753 SJOCEXSZSIPOCS-KRWDZBQOSA-N 420.539 1.211 30 10 HDEE N#Cc1cc(F)cc(NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1679884953 GQNOAUOJUKNYAN-UHFFFAOYSA-N 413.434 1.996 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1 1683373274 PSFDMBHXIVJDKO-UHFFFAOYSA-N 401.511 1.233 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1 1683824824 BRSIGFVIUBZEJS-IBGZPJMESA-N 403.523 1.750 30 10 HDEE C#CCN(C(=O)NCc1cccc(COC[C@@H]2CCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1684196483 JUGWPUSQYUKCFE-UXHICEINSA-N 420.531 1.714 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689893146 VMLCGESHYUVHHI-SFHVURJKSA-N 400.527 1.923 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1689930352 QBQAJURRPVDGEH-INIZCTEOSA-N 407.540 1.405 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CCCC1=O 1689942630 AHLBNYYEDPDDJA-UHFFFAOYSA-N 420.517 1.754 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1690025051 BQLAJTUSZIWQOQ-SFHVURJKSA-N 414.535 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1690043961 UPUFNLOXYAELJZ-QGZVFWFLSA-N 408.437 1.470 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](OC)c1ccc(F)cc1 1690101995 AAOHDBMQWVULQZ-MSOLQXFVSA-N 415.469 1.842 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC2(C)C)CC1 1690135594 ZNSCHDKQCDLWIQ-KRWDZBQOSA-N 412.538 1.526 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1690256804 WSSJBXDIMXISTI-HZPDHXFCSA-N 421.571 1.750 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690297831 IBKYIHVFGOLTMB-HXUWFJFHSA-N 406.531 1.746 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@@H]1C 1690615648 NDIKQXBJWADXCM-QVKFZJNVSA-N 416.478 1.853 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccc(C)cc1 1690669399 DCIKORVWZWMBBZ-QGZVFWFLSA-N 412.494 1.355 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1690677507 YNCQWTXORDFVLT-UHFFFAOYSA-N 420.926 1.462 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@@H]1C 1692538172 UXPOGWPBNNIZAG-DOTOQJQBSA-N 408.510 1.666 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(C#N)o1 1693758025 BTEYBCHPGXWGEP-OLZOCXBDSA-N 408.484 1.016 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1695866810 AYXFOFYCHHLLMA-JXFKEZNVSA-N 415.521 1.147 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1696288295 UPVVXZTZYLRUEH-QRWLVFNGSA-N 418.448 1.740 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1698464411 XSQMLGOPHFRNFN-HLAUDOPJSA-N 414.510 1.761 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1705550204 UQLJADXZUIZZIR-YJBOKZPZSA-N 422.489 1.313 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566874 RGHWGRIONANRPV-MSOLQXFVSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705568935 AZGJFMTXNWWODB-GOSISDBHSA-N 416.551 1.419 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)N(C)C 1705578459 TVFLWLQIIFNJOB-UHFFFAOYSA-N 407.474 1.658 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCc2n[nH]c(C)n2)CC1 1705640589 XNBXKAFOYXQZAW-UHFFFAOYSA-N 424.940 1.947 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(Cn3ccnc3)c2)CC1 1705643167 UZODPXGWWGRYJR-UHFFFAOYSA-N 419.533 1.863 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705890450 QKTONTBCYWRXDQ-RDJZCZTQSA-N 423.583 1.743 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CC(F)(F)F 1705901429 LFSJVTYEIXQJLU-UHFFFAOYSA-N 421.383 1.895 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1F 1706743643 CWKPWPJQIMSLMN-AWEZNQCLSA-N 401.446 1.866 30 10 HDEE CCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709037680 USQQVLWIKFNSHL-VXPUYCOJSA-N 405.462 1.875 30 10 HDEE CCn1cnnc1Cn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1710201082 HVCHLYUSKFYDKX-BEFAXECRSA-N 402.503 1.717 30 10 HDEE CCOCc1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1710651998 AJPQPXPKWRFNQX-MJWGMMHASA-N 418.498 1.204 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1CCOC1 1712563595 ZPUCDVFMPGDFAP-AOIWGVFYSA-N 418.542 1.605 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1722296921 VYTVMMJTTFPUIU-KTTFQHEFSA-N 400.570 1.185 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722371456 WOQJZKLRQPVDRN-BZUAXINKSA-N 410.565 1.509 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1722529151 POMMEIJPEHLCIN-CABCVRRESA-N 401.533 1.096 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722552220 LHLSQYKXXMZVJV-INIZCTEOSA-N 414.897 1.077 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(F)cn1 1729070218 LANDGNXGOMQUTD-UHFFFAOYSA-N 422.468 1.990 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1731186974 ICWBZTJNFVGRKP-JKSUJKDBSA-N 410.469 1.315 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1740599852 GJWPISMFGHTHMZ-ZDUSSCGKSA-N 407.496 1.023 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCSC1 1740610218 UTIMIMYCRLLWOX-HXUWFJFHSA-N 413.551 1.390 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1740637945 CFKBEPJHQYGNAB-INIZCTEOSA-N 408.462 1.024 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1740638353 HIQXMOWGUINQFZ-UHFFFAOYSA-N 417.473 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1740656538 KVENXZKPONGPNL-CQSZACIVSA-N 422.461 1.283 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1740663351 HKZGNPLZJVNJCR-FQEVSTJZSA-N 401.467 1.413 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccco1 1740676137 STQGNNMLZXTAEB-RDJZCZTQSA-N 401.467 1.485 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)CC1 1740694600 OBTHOLKFXQSNRR-FQEVSTJZSA-N 421.549 1.407 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C)CC1 1740715793 NWRYWIYVODOSEQ-UHFFFAOYSA-N 421.534 1.527 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(O)c2)C1 1740978851 DDDIWELIICKASN-HOTGVXAUSA-N 413.478 1.773 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1741797820 AVDSHKCCSILHDT-AWEZNQCLSA-N 403.450 1.708 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1748278007 NQBAMBPBHBWNSS-SFHVURJKSA-N 423.521 1.694 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1CCC(O)CC1 1748638730 VGNWFWOYIJVZCK-INIZCTEOSA-N 404.559 1.501 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC=C 1748882040 KBZVFJNNGIMDDR-UHFFFAOYSA-N 407.474 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCCOC)CC1 1748984190 IAXUGLFNHILSFP-UHFFFAOYSA-N 421.509 1.103 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2)CC1 1748990401 HOWVNIFHSMZYCI-PKOBYXMFSA-N 408.506 1.452 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC=CO2)CC1 1749011156 WOMXZRWRIAIVTM-GOSISDBHSA-N 408.506 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1csc(COC)n1 1749064677 FXZAUURRGYKZJD-AUUYWEPGSA-N 400.508 1.873 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(C)CC1 1749084767 VIYZKEREXSWEMF-GFCCVEGCSA-N 404.334 1.953 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1749590769 FVEOOBWTZJJBJF-ROUUACIJSA-N 415.494 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C2CC2)C1 1749712972 ODCKIQOFWXAINC-AEFFLSMTSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749730482 FZMDWHBPDRWEFL-CABCVRRESA-N 409.512 1.114 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1760195154 XOBIVNLPWPIHRH-INIZCTEOSA-N 414.535 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC(C)C 1760218782 NFEDJXOJIKNNEE-KRWDZBQOSA-N 407.540 1.310 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760375809 WMJXWHVMEIJZSL-OAHLLOKOSA-N 424.933 1.098 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)CC1 1760396777 IQQSRNJKSUFKAF-SRGMZFCMSA-N 415.585 1.202 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1760558950 GJDJJNZBDUCEKM-UHFFFAOYSA-N 418.571 1.396 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1767843363 GHFDSFILGUQARH-PBHICJAKSA-N 418.523 1.227 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1769477532 KLYKCOCVSRTIHD-NRFANRHFSA-N 423.477 1.183 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770752051 PGVZTNFRWBSOLM-RBUKOAKNSA-N 412.494 1.578 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1770785548 BNUVJOMHGVACFK-KRWDZBQOSA-N 400.458 1.893 30 10 HDEE C=CCn1cc(CN2CCN(c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3C)CC2)cn1 1849551537 VKKRSIRWOALUKW-LJQANCHMSA-N 418.567 1.564 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853390411 VHZZXPSBSJZJKM-OAHLLOKOSA-N 406.446 1.059 30 10 HDEE C[C@@H](CCC#N)N1c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C(=O)C[C@@H]1C 1854188384 YNDQGFQIGZQHRN-GJZGRUSLSA-N 418.519 1.728 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)n(C)n1 1854393678 OIGWZTSQPFVFBU-IBGZPJMESA-N 406.490 1.159 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1854639046 VYJUEGINSILGKJ-CVEARBPZSA-N 402.520 1.443 30 10 HDEE CN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)CC1=O 1855081933 VSEYQCFARVOCKM-ZWKOTPCHSA-N 409.490 1.129 30 10 HDEE C=CCN1CCN(C(=O)CCCn2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)C1 1855396172 NNFIMQSPMVZYCM-UHFFFAOYSA-N 410.474 1.556 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1855662723 GFEHHJUTVRPGLK-QZTJIDSGSA-N 403.504 1.507 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855735723 RRWLKTUFWNXUSH-OAHLLOKOSA-N 413.455 1.385 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4cc(C)on4)CC3)CC2=O)CC1=O 1855752552 ADCKFAONPXTAAH-QZTJIDSGSA-N 414.506 1.605 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(c3cc(N(C)C)nc(C)n3)CC2)CC1=O 1856630381 RPBHLCNNFAASSS-KRWDZBQOSA-N 400.527 1.314 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)cc3C)C2)CC1=O 1856788437 ZQPZSMYOWJXAGB-ZFWWWQNUSA-N 412.439 1.016 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1857387203 FYNVXYWQRDDWOB-PKOBYXMFSA-N 400.523 1.921 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)Cc3cccnc3)C2)C1 1857468949 LVNABNAGCIESRQ-KRWDZBQOSA-N 405.458 1.419 30 10 HDEE C=CCNC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861588444 FWWYTWHAHYBBRZ-MRXNPFEDSA-N 417.506 1.292 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866911536 HKOGNLDAEFBCQR-PMACEKPBSA-N 410.449 1.778 30 10 HDEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C)CC2)cc1=O 1870561613 UZJFADAVLHQADX-JOCHJYFZSA-N 424.545 1.616 30 10 HDEE CC(=O)NCc1nnc(SCCCO)n1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1874435803 YCGVEPMNDAYJHT-QGMBQPNBSA-N 412.859 1.833 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nccc4ncccc34)CC2)CC1 1889513898 IWMXGVSHOMPQMX-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3 1889660124 JNCZHTQRQQKCKV-JKSUJKDBSA-N 400.548 1.715 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(n3nccn3)C2)[C@H]1c1ccc(C#N)cc1 1892101897 KIVVREZTPBRXPX-RTBURBONSA-N 410.503 1.627 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 1982297996 LWVHDZJOMMXRDQ-NWDGAFQWSA-N 413.334 1.839 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985101593 UZORZBUIWNVXLU-RDBSUJKOSA-N 410.320 1.813 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(O)nc(O)c1Br 2061910124 UFPUPNBRQOCNFV-MRVPVSSYSA-N 415.244 1.896 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195284790 VKDBWKRBHFSDQC-PWFNWSNSSA-N 402.513 1.692 30 10 HDEE C[C@@H](NC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)S(C)(=O)=O 2241114177 RBJOYTCBQVYVKF-VIFPVBQESA-N 403.697 1.546 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243406022 QTGMBONQLIMORF-JSGCOSHPSA-N 405.304 1.957 30 10 HDEE C[C@@H](COCc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243406190 UGKOSNQPUFZRPU-AWEZNQCLSA-N 400.288 1.449 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548214 MAAVZZAFIJGCGI-CABCVRRESA-N 408.304 1.498 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247817535 UJIGQHUVZOOACQ-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2255814563 ZRSIPSVQSQFEEB-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE Cn1ncc(C(=O)NCc2ccn(Cc3ccccc3)n2)c1B1OC(C)(C)C(C)(C)O1 2255829017 IRXCNUBKONNHLO-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE N#C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158114 ICXSMBZMNIISGM-HRCADAONSA-N 409.464 1.368 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270502139 UBHGEZZUNJZGRK-ROUUACIJSA-N 422.503 1.423 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)nc2)C(F)(F)C1 2279115016 KESXAFPTGUBQRD-ZDUSSCGKSA-N 402.423 1.876 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1(CN)CCC1 2282307749 HSIHJNMDYZWQIH-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCNCCC1 2282315471 OIHZCBTYHJGCFO-UHFFFAOYSA-N 400.375 1.730 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3NC[C@H]4C[C@@H]43)cc2Cl)OC1(C)C 2282320399 HZLVHJYLRVVOQR-SCVCMEIPSA-N 418.777 1.587 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](N)[C@H](C)C1 2282327533 JTOHAOBJYROUPE-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H](CCN)C3)s2)OC1(C)C 2282332381 ZWQCVVZSXZKGIH-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE C[C@H]1[C@@H](N)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282491170 KQMSWJKLVMZUMG-FZMZJTMJSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](N)CC2)OC1(C)C 2282495252 JYTLSZBLKHCCGT-CQSZACIVSA-N 400.375 1.690 30 10 HDEE C=C(CS(=O)(=O)NC1CCC(S(C)(=O)=O)CC1)B1OC(C)(C)C(C)(C)O1 2282504209 LOHNFRKOEORPEI-UHFFFAOYSA-N 407.363 1.449 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCCS(C)(=O)=O 2282576262 OFWPGMTVMNZGCC-UHFFFAOYSA-N 402.347 1.257 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)ns2)OC1(C)C 2282610203 SFEFTBAUAXMKFJ-GFCCVEGCSA-N 418.371 1.002 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2cc(Cl)cs2)n1 2282830389 SYVSAGYJFDJHEY-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CN 2282839977 BXMXMOYGQUVBGX-GHMZBOCLSA-N 420.793 1.916 30 10 HDEE CCC[C@H](C(=O)O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284405960 RSEMOPNMUSICJX-GFCCVEGCSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@H]2C(=O)O)OC1(C)C 2284409503 JYNINRDFBWRUFA-ZYHUDNBSSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC[C@@H]3N)c(Cl)c2)OC1(C)C 2287580447 RXIBRGWWJKTOEB-FZMZJTMJSA-N 400.737 1.655 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2315538194 GBUQBIVJXOSEKZ-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE C#CCN(CC(=O)N=c1ccc2ncc(Br)n2[nH]1)C(=O)OC(C)(C)C 2326729640 UXTWXBIUWCOFJP-UHFFFAOYSA-N 408.256 1.723 30 10 HDEE C#CCCN(CC(=O)O)C(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2336520390 YTSKOZSINQTMRC-DYESRHJHSA-N 402.447 1.739 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NS(=O)(=O)N1CC[C@H](C#N)C1)C2 2358233477 GPGPMCRUWRBDIP-SEBNEYGDSA-N 402.492 1.545 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365211544 MINIKUPSACCFMD-ZOCIIQOWSA-N 402.557 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365212869 RTMJUTSRKVLATR-OAHLLOKOSA-N 402.557 1.947 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CC)CNC(=O)OC(C)(C)C 2365213726 YFWZZBOCFSQIAI-BEFAXECRSA-N 404.573 1.847 30 10 HDEE CC[C@@](COC)(NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367805190 ZGGLSHULTWVZON-BEFAXECRSA-N 402.557 1.865 30 10 HDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 17068394 HNTAFZJTGAODBL-UHFFFAOYSA-N 414.487 1.783 30 10 HDEE CC1(C)OB(c2ccc(CNS(=O)(=O)NCC(F)(F)F)s2)OC1(C)C 404929371 LFLPTOHJUGZGJG-UHFFFAOYSA-N 400.253 1.534 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 427124039 NDYBDWYTPZGXMK-UHFFFAOYSA-N 416.441 1.092 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)cc1C#N 434496107 FQKPQERGJJCCPQ-NSHDSACASA-N 410.463 1.169 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)sc2C1 435000726 SYJGAHPRHXRGON-CQSZACIVSA-N 405.524 1.281 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)sc2C1 435120586 SIAOUJGOBVLUKT-CYBMUJFWSA-N 410.503 1.822 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 443092023 IIISHFURQVVJLI-UHFFFAOYSA-N 419.406 1.703 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 445700725 XOELPWLURGJNHA-UHFFFAOYSA-N 414.487 1.981 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cc1 465718071 LTHSOFJOQFRCBK-UHFFFAOYSA-N 408.458 1.909 30 10 HDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCCOc1ccc(C#N)cc1 472207434 PDDSPFBKBLOMMY-SFHVURJKSA-N 409.364 1.685 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 473310674 YWEVCAONIZMFLP-HXUWFJFHSA-N 404.470 1.945 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 480047174 PDDCDKGGGYLOAJ-HNNXBMFYSA-N 403.468 1.075 30 10 HDEE C[C@@H](CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[S@](C)=O 482940005 ZGDAPACEROJIRZ-OIJAAMDRSA-N 405.480 1.795 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccccc2CN2CCC[C@H]2CO)cc1C#N 489649701 FZKCGXXZYSVTNO-IBGZPJMESA-N 400.504 1.697 30 10 HDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 492315053 VUOPVVMWYFFDSW-UHFFFAOYSA-N 419.425 1.835 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 498720791 SKVZKPZNYLSMPV-TZIWHRDSSA-N 413.566 1.526 30 10 HDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507289052 CWBUWMZHJCCZQH-IERDGZPVSA-N 406.527 1.403 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)C(=O)C1 508866523 LDRZOOOTGQLXKK-UHFFFAOYSA-N 401.492 1.346 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)cc1 509199546 YCNSFHSLURWLGH-KRWDZBQOSA-N 400.479 1.705 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1 511105759 FYWAYMVBUFJFTL-IBGZPJMESA-N 406.552 1.906 30 10 HDEE N#Cc1cccc(CC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 530914927 RLJRLMQLZDADTR-LJQANCHMSA-N 406.490 1.513 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cn1C 540343384 QTRJWCVFGODLGO-KRWDZBQOSA-N 415.519 1.126 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NC[C@H]3CCN(c4ccccc4)C3)CC2)n1 546213574 IFXIMDGKDYQGRL-LJQANCHMSA-N 404.518 1.718 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccccc3)c2=O)cn1 549189939 GFCFVOTXSRIXBX-UHFFFAOYSA-N 407.499 1.143 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 558962925 XNOAGFNBWBSDJJ-SFHVURJKSA-N 413.526 1.809 30 10 HDEE N#Cc1cc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)ccc1F 561549419 HHYNGRDQALMTHP-GJZGRUSLSA-N 415.446 1.895 30 10 HDEE COc1cc(CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)ccc1C#N 569049102 WGCHXFGESFRSON-CQSZACIVSA-N 409.489 1.262 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C#N)c(OC)c2)cc1 570610868 LQCVWZRJGDUITP-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2ccc(Cl)cc2)cn1 571607289 LPNXTIADWOCDCS-UHFFFAOYSA-N 416.850 1.709 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2noc(-c3cccc(F)c3)n2)cc1 572655451 CCYGROWOJDQGLU-UHFFFAOYSA-N 415.406 1.342 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 584267886 ZMGXANKMSFKCGF-LJQANCHMSA-N 422.464 1.725 30 10 HDEE C[C@]1(c2ccc(Cl)s2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 584685833 RFELRPGJTWYDAE-MRXNPFEDSA-N 424.891 1.909 30 10 HDEE CN(C)S(=O)(=O)N1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 587137645 ZCFZMIYKQFNPSM-UHFFFAOYSA-N 407.721 1.903 30 10 HDEE CN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CCN1CCCS1(=O)=O 610614802 FVRLVXOKDAVKFG-UHFFFAOYSA-N 410.565 1.794 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCCO2 727416505 STVLXZKRYYTELW-UHFFFAOYSA-N 422.462 1.991 30 10 HDEE C#CCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 729331190 KKGKJLWDCKPHHG-XJKSGUPXSA-N 412.508 1.535 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@H]1CCS(=O)(=O)C1 729331719 GIQVUSHNONUAGJ-HIFRSBDPSA-N 424.906 1.350 30 10 HDEE Cc1c(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(=O)n(-c2ccccc2)n1C 732412963 FNESWDPOZZHDMT-ZCXUNETKSA-N 410.434 1.132 30 10 HDEE N#C[C@@H]1CN(Cn2nc(-c3cccs3)n(CCC(N)=O)c2=S)CCN1C1CC1 732665915 ABVSTQAFAXARBE-CQSZACIVSA-N 417.564 1.648 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CS(C)(=O)=O)C1=O 733202770 XDBQSBGGIJSLIV-GWCFXTLKSA-N 401.485 1.326 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=S)NCCN2CCOCC2)CC1 748595912 LAQUIDIWRDOTIX-UHFFFAOYSA-N 410.547 1.435 30 10 HDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1 751665127 UPPOFVRCPPUQGZ-DLBZAZTESA-N 404.536 1.783 30 10 HDEE C=C(COC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OCC 754616059 OQCHSHSFGBYNSE-INIZCTEOSA-N 401.419 1.199 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 762508151 ABMMHLZNTJRGLM-SFHVURJKSA-N 411.531 1.971 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 775234136 SYDZTMQBQHHPRI-ARFHVFGLSA-N 413.540 1.606 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN(CC(F)(F)F)C2)cc1 776628695 UZDQFVYDQMNOOL-PXLXIMEGSA-N 418.441 1.932 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCC 781648357 FYABCYSZZJSJKB-UHFFFAOYSA-N 412.515 1.146 30 10 HDEE C#CCN(C(=O)NCCCCC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 781954749 CZDQIVPOWFUCFV-GOSISDBHSA-N 406.504 1.732 30 10 HDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cc(-n4ccnc4)cs3)c2=O)CC1 783951179 MGBZXQVAKMXEDB-UHFFFAOYSA-N 422.539 1.450 30 10 HDEE Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 787491109 CQEUBJHQKYVUCS-LBPRGKRZSA-N 418.910 1.939 30 10 HDEE COc1ccc2nc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)sc2c1 788766381 RXBWZBNOWIIUPV-AWEZNQCLSA-N 424.507 1.734 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cc(Br)ccc2=O)n1 788814319 BXWBSZVDBIVXAP-UHFFFAOYSA-N 407.268 1.116 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)/C(C)=C\CC)n1 790108710 BRGKXDZFMYDNKR-WWQCUGACSA-N 404.536 1.749 30 10 HDEE Cn1c(CC#N)nn(CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1=S 794623232 KFUKYTHYXFAOCL-UHFFFAOYSA-N 420.926 1.851 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)cc1C(F)(F)F 800383377 RRSVUEISMNKMQB-IEKKQPAFSA-N 422.384 1.709 30 10 HDEE C#CC[C@@]1(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)CCCN1C(=O)OC(C)(C)C 808595889 SSAIMJSWAZDAMC-VGSWGCGISA-N 420.506 1.960 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 816908377 CFKXIFMFOOUDBB-DCFQSUQFSA-N 410.446 1.367 30 10 HDEE Cc1nc([C@](C)(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817623604 LUWAOYWQCQIGBJ-JEOXALJRSA-N 417.491 1.637 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 856532499 LMHHRKJRSDQFNY-LSDHHAIUSA-N 404.879 1.751 30 10 HDEE CS(=O)(=O)CCc1noc(C2CN(c3ccc(Br)cc3C#N)C2)n1 904880791 LQNPONQZZWEGID-UHFFFAOYSA-N 411.281 1.895 30 10 HDEE COc1cccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 916892006 WWKOOMXDGCYDBN-MRXNPFEDSA-N 412.446 1.939 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 919965701 KKEONCDRUJDUCI-KRWDZBQOSA-N 406.552 1.837 30 10 HDEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)Nc2nc[nH]n2)n[nH]1 1083962460 LZQXCBMRXCQHLL-UHFFFAOYSA-N 403.476 1.494 30 10 HDEE N#Cc1cccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)c1 1084273318 CWFKBWHLAQYDIS-UHFFFAOYSA-N 408.447 1.746 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2noc3c2COCC3)c1 1125120048 RZHZPARPCYDXDA-PGMHBOJBSA-N 404.448 1.812 30 10 HDEE COC(=O)[C@@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCSC1 1127829482 FHXDPKSPQOZLDJ-KPZWWZAWSA-N 407.879 1.729 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1132513788 ANOIVBIAIFXLTI-UHFFFAOYSA-N 400.479 1.638 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1136653234 PCKQFSMUVBOJRU-QGZVFWFLSA-N 401.360 1.660 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)nc1O 1159061170 QLRIXQDBZIDHKA-HBFSDRIKSA-N 421.501 1.628 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc2cc(F)ccc12 1175426055 FGRZGQQIPGTILP-NSHDSACASA-N 402.407 1.822 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN[C@@]2(CO)CCCN(Cc3ccccc3)C2)c1 1176044508 NEVAESVVADBIHC-QFIPXVFZSA-N 413.543 1.949 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCC[C@@H](CC#N)C1 1197929126 DKQYLVJYQRDJQB-HNNXBMFYSA-N 422.507 1.874 30 10 HDEE C[C@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198085480 UTYJUEPZEVKYNT-GDLVEWKHSA-N 413.402 1.205 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(C#N)cn2)CC1 1208078556 FUPMFEOQXWZETG-UHFFFAOYSA-N 408.528 1.778 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)cc1 1253168737 DYFOONBQPOVFEM-UHFFFAOYSA-N 419.551 1.900 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)C1 1255362416 FAPIZWLTZLDCIC-BPQIPLTHSA-N 405.445 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1286295743 KRPYMUGDWZEUTD-SJORKVTESA-N 421.567 1.431 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@@H](C)C1 1286303365 QOXDWCNBEGKTLE-MSOLQXFVSA-N 402.543 1.359 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1286323304 IRZUZSAKWNKLJV-QGZVFWFLSA-N 400.527 1.775 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1286323734 MPAAZEPYZXBBIY-INIZCTEOSA-N 415.519 1.647 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286347925 DNXWRYRKXHOGRW-JOCHJYFZSA-N 421.505 1.876 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386623 DYUTWUQVKKXVDV-LJQANCHMSA-N 414.531 1.998 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(C)COCCO2)CC1 1286479988 YZVULDSSFOLMOL-QHCPKHFHSA-N 409.534 1.738 30 10 HDEE C=CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286682042 BDFFNOSBTJFNKT-SFHVURJKSA-N 419.489 1.320 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1286714348 PKMKDDOCYUIPAU-QGZVFWFLSA-N 404.515 1.098 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286810230 ORNRHBFBHRXIPV-JKSUJKDBSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(CC)C1 1286817985 AFNAYQQVJDDFFI-SFHVURJKSA-N 408.528 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CCC1 1286822852 IIQPYKAHUAHUKR-UHFFFAOYSA-N 423.564 1.859 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1293503463 GFJKPYLIPRIVTD-JSGCOSHPSA-N 411.911 1.846 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(N(C)C)COc4ccccc4C3)CC2)c1C#N 1296472507 UEAGSLAWYHZQGS-QFIPXVFZSA-N 408.506 1.184 30 10 HDEE CC[S@@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297817382 NRBSENAHUNUEON-CAMPQQCRSA-N 416.507 1.086 30 10 HDEE CC[S@@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297817383 NRBSENAHUNUEON-JYCIKRDWSA-N 416.507 1.086 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H]3C(F)(F)F)CC2)cc1 1300031820 DIZGJHGPTNYUTO-INIZCTEOSA-N 417.409 1.706 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1300439636 FURRKMKNRUCWSN-UHFFFAOYSA-N 408.911 1.608 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300493248 SUUJPKNJXRHOIH-SJORKVTESA-N 417.535 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)cc1OC 1300544938 ICSWVFLSHSNDFN-UHFFFAOYSA-N 421.501 1.733 30 10 HDEE C[C@]1(c2cccc(C(=O)N3CCN(c4ccsc4C#N)CC3)c2)NC(=O)NC1=O 1300769030 VRTBXQAZTXPZAB-HXUWFJFHSA-N 409.471 1.637 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)COC)CC1 1300892985 XDDVYFOXPGFTNJ-LAUBAEHRSA-N 417.554 1.943 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1301044165 GCUXHQCAHSBUJG-GXTWGEPZSA-N 405.952 1.846 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301169965 KIPKCIKDHZRWQC-UHFFFAOYSA-N 417.558 1.081 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301475761 XSYYNRNPEFEQHQ-NZSAHSFTSA-N 402.543 1.695 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCc1cccs1 1301498675 SBFSIARBNNPYGT-OAHLLOKOSA-N 402.524 1.662 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1301510033 RLAZXYWMAKMNNN-QFIPXVFZSA-N 424.505 1.061 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301596755 XQWDKIYMSNDONO-OAHLLOKOSA-N 406.556 1.490 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)cc2)C1 1302977866 DNQUXHIQFMEKOO-NRFANRHFSA-N 405.437 1.853 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CCCOC2)cc1 1302993306 CCVOJAIJMUTWIK-IRXDYDNUSA-N 410.478 1.467 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1303634582 ROGVBLVTTXDFMK-GOEBONIOSA-N 422.484 1.773 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](OC(=O)N(C)C)C2)cc1 1310131613 QXEZTYSJWKMATD-HNNXBMFYSA-N 410.496 1.798 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1312935780 BHJXCTJWWCRFJX-HNNXBMFYSA-N 403.479 1.982 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1314951222 OPOHVLPQVTWOGU-QKKBWIMNSA-N 409.494 1.113 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1316297966 RVIKRILVNDZFIG-UXLLHSPISA-N 420.514 1.036 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1316348403 AGJVEKAOGXAIFP-QGZVFWFLSA-N 411.434 1.483 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(F)(F)C1 1316568699 XYCNRYUPKAZIRQ-JQIJEIRASA-N 403.393 1.645 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H](C2)C3O)CC1 1319829737 SUUARLPUODCDOZ-ZPODEYMZSA-N 400.498 1.627 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 1351106705 LOVDKVACZHVJCI-FQEVSTJZSA-N 400.523 1.803 30 10 HDEE C[C@H](C(=O)N(C)Cc1cccc(C#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1353372500 VOKMMXDQJSNUAV-OAHLLOKOSA-N 400.479 1.984 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 1354427351 GTIMZPBWAUVTHU-MRXNPFEDSA-N 408.462 1.609 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1358875346 NZGIMNDZTWEUDE-IIBYNOLFSA-N 403.527 1.647 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1358942782 JYGITMHAHQAWEO-UHFFFAOYSA-N 408.911 1.608 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1358966232 KFDJMSGSZGVNBL-INIZCTEOSA-N 422.942 1.407 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H](OC)C(F)(F)F 1358970864 ZIGFZTKMXPJXIA-CRAIPNDOSA-N 414.428 1.970 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1359045745 ROVVUEYZUJSRHJ-JOCHJYFZSA-N 413.522 1.924 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1359133146 MISHPEZJOLZBTQ-IAGOWNOFSA-N 412.556 1.634 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359222041 WTUBDJUGHFSIIM-QZTJIDSGSA-N 420.558 1.166 30 10 HDEE C=CCn1c(N2C[C@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290097 HMRBZJOSULIZAT-WCVJEAGWSA-N 416.526 1.950 30 10 HDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(CC)CC 1359293291 MDMQSPKWUJXTKW-UHFFFAOYSA-N 419.555 1.695 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1359342435 XRCAJRBQMOTRNL-JKSUJKDBSA-N 409.556 1.779 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359456399 XUUYEGAEAKFQIT-IBGZPJMESA-N 421.505 1.544 30 10 HDEE Cc1ccc(C(=O)NC2(CCO)CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1447215060 IVRNEOMFLSATAI-UHFFFAOYSA-N 402.344 1.871 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)cn1 1448878051 YRQKFNOJOFWZFN-UHFFFAOYSA-N 400.504 1.976 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(C#CCO)c1 1449131362 LHFFXMQACRLBKB-SFHVURJKSA-N 416.474 1.655 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)c1 1455868643 UJLVTVBLIUBUSE-FQEVSTJZSA-N 404.488 1.834 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1455908963 BEVRLPDGMZDSCB-QFBILLFUSA-N 420.473 1.903 30 10 HDEE C#CCN(C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(C)CC1 1456169117 KKUPYUIZKJOKRC-HNNXBMFYSA-N 402.520 1.060 30 10 HDEE COC(=O)[C@@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1460478879 COGIVWMYVNCGOM-OAQYLSRUSA-N 414.462 1.820 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC)c2cccc3ccccc23)C1=O 1462789252 MMGPUTXEXDHVIM-KRWDZBQOSA-N 409.398 1.147 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1464261480 WQROTXPQBTURRG-CYBMUJFWSA-N 410.920 1.847 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCn3ncnc32)cc1 1464270123 LGJJJVTVSYQPSZ-QJIFYWSCSA-N 402.480 1.607 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 1464754486 KONJPPUTQOZDSP-UHFFFAOYSA-N 400.439 1.547 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)CCN3C(=O)CCNC3=S)n2)c(Cl)c1 1466336223 RUJOOICSMVTFDU-UHFFFAOYSA-N 402.867 1.833 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1467746305 PSXFTYUKBDLDJW-GOSISDBHSA-N 400.479 1.334 30 10 HDEE C=CCc1cc(CNC(=O)N2CCC(C(=O)NCCO)CC2)cc(OC)c1OC 1468362610 XYGJNRDGXSJSRY-UHFFFAOYSA-N 405.495 1.462 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1468716286 PKLZRYBDJCQGSD-FQEVSTJZSA-N 400.523 1.565 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1469209773 FCSWCRYQCLBWPJ-UHFFFAOYSA-N 400.416 1.724 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCC(CS(C)(=O)=O)CC2)c1 1475328405 IYAPJMNQGYIMCQ-UHFFFAOYSA-N 414.549 1.484 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)cc1C(F)(F)F 1475375330 FWEOLUGAYATYMI-KGLIPLIRSA-N 424.422 1.154 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2cnn(C)c2I)c1 1475390123 KKPCMCKHCSYKRR-UHFFFAOYSA-N 401.229 1.485 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1CC2(C1)CC(NC(=O)OC(C)(C)C)C2 1478285447 YCAYTAWXFORTSJ-UHFFFAOYSA-N 401.529 1.722 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1493687465 CGLKATIAYRDNTJ-JXXFODFXSA-N 405.522 1.979 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H](C)O1 1499699772 HACYFBWRYPISIA-RHSMWYFYSA-N 403.508 1.865 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1507632175 XWSWHSQRDPRRLZ-DJIMGWMZSA-N 420.514 1.444 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1507751087 JSSNDOCDKJGPNV-GJZGRUSLSA-N 414.622 1.878 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1507773796 WWOKEVDQLOXRQO-FUHIMQAGSA-N 405.568 1.513 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1507792204 XKCDHTMDXPEFJF-SQNIBIBYSA-N 418.542 1.502 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1507922847 HUAVKEGBYRGTLA-UHFFFAOYSA-N 418.567 1.948 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507962327 QOHMIQDXTGPAPL-HRCADAONSA-N 402.499 1.069 30 10 HDEE C=CCn1c(N2CCN(C(=O)NC(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1508067389 KYYQOVANAXFDGY-FQEVSTJZSA-N 406.531 1.746 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(CC)Cc1cnn(C)c1 1508071831 FSJGJINJQJNMKG-UHFFFAOYSA-N 424.465 1.916 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508072326 HSXVJTWHKWXJIL-WMZOPIPTSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)NC)CC1 1508082485 STJVXFMRSDQRPF-UHFFFAOYSA-N 417.901 1.362 30 10 HDEE CN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(C#N)ccn1 1516835902 AQFPHQICPVLMIE-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CN1C[C@@](C)(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1=O 1517404632 FHQWKPJOBQAATR-QFIPXVFZSA-N 423.521 1.880 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOC[C@@H]1C 1519448298 GRJQJTNCCSVQHH-RZFLPCETSA-N 405.499 1.403 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1519451334 WFFLOGCVUNVRLX-QAETUUGQSA-N 405.499 1.546 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)O1 1525781415 RNHSKXSMRWSTCS-JXGZPRAZSA-N 409.464 1.159 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 1525842058 HMUZURIEBDJAGQ-UHFFFAOYSA-N 419.239 1.344 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@]3(C(=O)OC(C)(C)C)CCOC3)CC2)o1 1527824303 BBGPLOXFCORWBB-HXUWFJFHSA-N 404.467 1.688 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(NC(C)=O)cn2)c1 1528405227 RHHMRWRKKNMAAB-UHFFFAOYSA-N 406.442 1.527 30 10 HDEE Cn1nccc1[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1530750600 DLCQBQJHMNHJIC-BEFAXECRSA-N 423.473 1.844 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1 1531327508 ULFQWDAZWOBENT-MJGOQNOKSA-N 414.487 1.924 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1534973861 VNQITHKIKIEBDI-YJBOKZPZSA-N 422.503 1.852 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@H]2CC[C@H]1C2 1538765245 HXHZQDQGFKRGQA-PSYRKBHYSA-N 408.520 1.531 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)CC1(C#N)CCOCC1 1539055263 LIQHYNRXMALRTK-UHFFFAOYSA-N 407.492 1.579 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539112370 NWQQGZQOHMJADW-MRXNPFEDSA-N 404.540 1.794 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(CC)s1 1539237293 BZTNKYXAVPETEE-IBGZPJMESA-N 400.508 1.465 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccc(C)c2)CC1 1539444397 NCROBBWJXCOGGG-UHFFFAOYSA-N 417.517 1.767 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539722801 SIHDSMNSRKOLDG-GOSISDBHSA-N 420.558 1.310 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540862411 AXTKXLJJZRSEDB-UHFFFAOYSA-N 424.509 1.767 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540868152 UFDWXKINIVRYIJ-UHFFFAOYSA-N 419.489 1.675 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1540874440 GVLIZFNBEJKLMG-INIZCTEOSA-N 412.494 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)noc1C 1540901350 ATNFWRYIGGYKAJ-HNNXBMFYSA-N 422.511 1.071 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 1540904103 KQWMVWUVYYTAEM-OAHLLOKOSA-N 400.545 1.319 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN([C@@H]3CCOC3)C2)c1 1541080204 DCNATHRNDKSCHS-JIQGDJCJSA-N 406.508 1.159 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1541087646 YQFNJIUMBVHZPT-QGZVFWFLSA-N 409.494 1.435 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1541121144 CXWHUORYWUIHHX-KFWWJZLASA-N 419.530 1.733 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 1543042094 TVIQOCIRAJLLJP-OAHLLOKOSA-N 419.478 1.482 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)cc1 1543110455 RQUCLZMNMSEKSW-UHFFFAOYSA-N 422.485 1.763 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC[C@@H]1COCCO1 1543311741 YJVCBDDUPOFRBK-QGZVFWFLSA-N 400.458 1.729 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NCCNc2ncccc2C#N)N(C(=O)OCc2ccccc2)C1 1544055933 PBVZXLBLBXZZHN-RTBURBONSA-N 423.473 1.907 30 10 HDEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1546454639 NNPBEUBVBAGDDB-UHFFFAOYSA-N 414.535 1.945 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)NCCOC)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367740 KMWIXMWSIQCZBR-OAHLLOKOSA-N 413.400 1.170 30 10 HDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)cn1 1554340461 GPJNEEULUOUZCG-UHFFFAOYSA-N 415.479 1.641 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCSCC1 1556023091 SKXVBOAFLCHIIW-ZFDMEJTGSA-N 418.523 1.252 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1 1556102580 KZAMKKLFPAJDJC-UHFFFAOYSA-N 415.475 1.695 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)c1 1556434166 QDARWGKPEGPICJ-KRWDZBQOSA-N 404.532 1.809 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C[C@@H]3CCCO3)C(=O)OC)n[nH]2)c1C 1558283898 ASXVOEFUWYLAHN-YOEHRIQHSA-N 401.467 1.917 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN([C@H](C)c2ccccc2F)C1=O 1564417038 KPQPDNYSBGBPRU-PBHICJAKSA-N 411.499 1.778 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCOC34CCCC4)CC2)cc1 1565454376 COBFKWCYQKQDRL-GOSISDBHSA-N 418.519 1.676 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1567194339 QSDSCKFBQHQAHF-DLBZAZTESA-N 417.462 1.915 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1570219089 RTCCFSYLHZOLIO-QWRGUYRKSA-N 404.897 1.236 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 1584574330 OAUXXTRBMOZZKX-QGZVFWFLSA-N 419.530 1.499 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1 1585463264 HNAXOQQWTBCPIO-INIZCTEOSA-N 406.508 1.171 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3[nH]ccc3c2)CC1 1588732819 GYCQBXDRIBVUPZ-UHFFFAOYSA-N 419.533 1.896 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1588864658 IVXCXDPJQCPJNT-UHFFFAOYSA-N 417.473 1.829 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)CC1 1594014632 UEWANQVLONYISJ-CQSZACIVSA-N 408.528 1.952 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F)C1CC1 1595058277 GUXYBTRJSGPFJU-LBPRGKRZSA-N 409.434 1.328 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCOC(C)(C)C1 1595594118 KEVNMMZXKILABO-UHFFFAOYSA-N 403.458 1.914 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595871694 WNCQVCMKCPDRRF-KBPBESRZSA-N 413.569 1.162 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCn2nncc2C1 1596349780 KQVZVPSIOMXXQB-INIZCTEOSA-N 416.507 1.308 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)nn1 1598174632 YSMKBVFFUWYVQT-UHFFFAOYSA-N 409.899 1.832 30 10 HDEE COCCNc1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1611246014 UBRDNUFNLIVOKD-JSGCOSHPSA-N 409.512 1.619 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCCCO 1611634132 UKGMRUHEQOTEBK-HNNXBMFYSA-N 405.524 1.849 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1611761245 GWTFWCCJVBXGGO-KGLIPLIRSA-N 423.470 1.331 30 10 HDEE CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 1614784765 FIQJSLMWSCPCRG-MRXNPFEDSA-N 412.560 1.787 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cc(Br)ccc3F)C[C@H]1CS(=O)(=O)C2 1616337349 XRPHIKITXFVXNY-XHDPSFHLSA-N 401.257 1.527 30 10 HDEE C#CCn1cc(CNC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 1618800293 FBSCMFGWBPACTR-MRXNPFEDSA-N 403.483 1.038 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1C 1621654447 CEPJBGGLWIKWEX-UHFFFAOYSA-N 405.476 1.999 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)C(=O)OCC 1622450795 ZVYYXOOGAKUDDP-CQSZACIVSA-N 418.899 1.750 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cc1 1626590911 ZQFKRNDSPVCMFQ-UHFFFAOYSA-N 414.487 1.990 30 10 HDEE CCOC(=O)c1cn(C)cc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626809780 BZCZJHJAELQGTM-INIZCTEOSA-N 423.429 1.917 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1626983379 RPKYIANJTLHWTL-GOSISDBHSA-N 422.441 1.628 30 10 HDEE CCn1c(S)nnc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1628297486 IEAIQFNARFGRSS-FWHMADFJSA-N 420.539 1.990 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C)c(C#N)cn1 1629115233 RJNRDXLAPXXQNV-MRXNPFEDSA-N 402.451 1.886 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCC(=O)Nc1ccccc1C#N 1629657136 ABBAPQWTCOTENW-JOCHJYFZSA-N 414.506 1.399 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccccc3)n[nH]2)s1 1632217848 SSYTYYPAUQUULF-UHFFFAOYSA-N 417.516 1.856 30 10 HDEE N#Cc1cn(CCNC(=O)NCCc2csc(-c3ccccc3)n2)c(=O)nc1O 1633084149 CTHQUEWAZQBXBN-UHFFFAOYSA-N 410.459 1.486 30 10 HDEE CS(=O)(=O)CC1(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)COC1 1635679403 BHNMPPWNONQTCW-INIZCTEOSA-N 411.911 1.110 30 10 HDEE CC1(C)C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2cc(F)ccc2O1 1636674446 MPIUMKLJKLTDFS-HNNXBMFYSA-N 413.409 1.828 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 1636869602 BTGMZLZPOJLDOI-UCLAIMLFSA-N 414.487 1.657 30 10 HDEE COC(=O)[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccnn1C 1639880019 FCFRHDHKHCGMPD-KRWDZBQOSA-N 404.467 1.401 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc([C@H]4CCOC4)n[nH]3)ccc2c1=O 1641745465 SMBVGZVEAOAHAQ-LBPRGKRZSA-N 412.475 1.423 30 10 HDEE Cn1ncc2c1CC(C)(C)CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1647899846 BOOSBMSCBKOCFT-UHFFFAOYSA-N 415.519 1.460 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)c1cccc(F)c1Cl)c1cc[nH]n1 1648434665 ZUMBCFNGFBFFMS-UHFFFAOYSA-N 410.789 1.485 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)C2)nc1 1652331601 CAWMTVPXQPUBEX-MGPQQGTHSA-N 416.425 1.579 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c1 1654222955 LGNGALPODBCMRC-FCHUYYIVSA-N 411.527 1.917 30 10 HDEE CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)N1CCO[C@H](C#N)C1 1656133347 GWZNKQFDCYWQPI-LSDHHAIUSA-N 402.314 1.829 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nc(N)n[nH]3)CC2)CC1 1658837654 WSVCUUQMQNOCHZ-OAHLLOKOSA-N 414.539 1.037 30 10 HDEE C#CCCN1CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 1661653728 IVGKWTYEQSQHLX-UHFFFAOYSA-N 415.309 1.649 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)C(=O)NCCc2ccccc2)c1 1663352948 LPGQRXCGRWLAEH-INIZCTEOSA-N 415.515 1.628 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OCC 1671199427 QRBVCFDJWKGFDV-CQSZACIVSA-N 413.448 1.436 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 1672485047 QCXRLNUDYXQNNK-HNNXBMFYSA-N 408.524 1.649 30 10 HDEE N#CCSCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1677655958 BWHJVDZRALPXEJ-IFWNTPBBSA-N 419.547 1.179 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1680708775 GBVGBELYLGYXDL-QEEHTWDDSA-N 403.504 1.734 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3ccc(Cl)cc32)CC1 1684305111 WYCTVLUZBAOMID-QGZVFWFLSA-N 410.927 1.512 30 10 HDEE COc1ccc(CNC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)cc1C#N 1687437845 MVSRPZUANJPUFV-INIZCTEOSA-N 406.483 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccccc1 1689825812 CYSNPCYGXNKHEY-ZOBUZTSGSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccs1 1690030545 XSPAFZMICPNPEC-UHFFFAOYSA-N 412.519 1.371 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@](C)=O)CC1 1690056468 UGQMGZSQNWJJCO-VUFWKLLHSA-N 404.536 1.376 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)ccc1F 1690106309 QUIJFJFVFZLNBI-UHFFFAOYSA-N 403.433 1.813 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690320455 UHNQKVTWFZQFRP-DYESRHJHSA-N 421.542 1.578 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1690578132 RCEUOUKGZQSFQU-UHFFFAOYSA-N 419.536 1.538 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1690655153 IXNNEYWTZFKSSA-GBESFXJTSA-N 416.570 1.942 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(CCOC)c2)C1 1690700640 VPPRQXIAIPDEMZ-RBUKOAKNSA-N 416.526 1.845 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@@H]2C)n1Cc1ccc(C#N)o1 1692808159 YADAGNAFSUADMH-RYUDHWBXSA-N 410.525 1.343 30 10 HDEE CO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697654709 GTUDTZKKRQUZNY-JSGCOSHPSA-N 408.484 1.016 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C[C@H]1C 1698087540 FYCFGPQCKLRDOT-APWZRJJASA-N 416.501 1.958 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C(C)C)N1CCOCC1 1705554216 PDHPGFRBOLHXNZ-FQEVSTJZSA-N 421.549 1.943 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCC[C@@H]1NC(=O)NC1=O 1705556356 GLCSALMPZVZINO-INIZCTEOSA-N 405.462 1.339 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1705569331 BZCFOZCDTBTCER-KRWDZBQOSA-N 408.568 1.920 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705571440 ZINISXLOLQUWJW-QGZVFWFLSA-N 420.510 1.671 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)[C@H](C)CCC 1705581267 XLSYJLZNECMBTB-MRXNPFEDSA-N 424.505 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCn1ccnn1 1705600081 LHIFGPKYQVESIO-UHFFFAOYSA-N 413.489 1.661 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(O)c1 1705621967 TXSWWZIVOYQCJK-UHFFFAOYSA-N 406.446 1.765 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCC(=O)NC2CCCCC2)CC1 1705637885 PPPYESCACPYSAD-UHFFFAOYSA-N 421.549 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1705638798 XFYPORMAYAJXHU-QZTJIDSGSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCOCC2)CC1 1705640550 WDQZJLJXXQXOMP-UHFFFAOYSA-N 402.587 1.734 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2cc(C)on2)CC1 1705650747 XPBHIESXQFBUKP-UHFFFAOYSA-N 419.489 1.574 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1705654583 NGVJEPWIXZMULE-UHFFFAOYSA-N 401.517 1.418 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCNS(C)(=O)=O)C1 1705918204 DVYJYNKIUDNHSE-MRXNPFEDSA-N 405.524 1.584 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1706462164 AZYAKZLDQCOLIM-OAQYLSRUSA-N 417.558 1.347 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1706935204 NNHLBUDPEITYPF-MAUKXSAKSA-N 407.540 1.879 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cc1 1711774380 DKNMAMSYEHARLK-LJQANCHMSA-N 412.494 1.405 30 10 HDEE COC[C@H](F)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1712176177 VBHAAASEMLWUAO-JKIFEVAISA-N 403.414 1.504 30 10 HDEE COCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1712617328 AONJTIVWDYJSEX-LJQANCHMSA-N 423.477 1.523 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@H]2CO)CCO1 1712884245 JCHGOLLLLUUKQK-RBUKOAKNSA-N 402.543 1.901 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCOCC2CCOCC2)CCO1 1712884596 OUJSKPPFPIWVQI-SFHVURJKSA-N 412.494 1.902 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1722275698 DBHDXWHWJSTEBS-CQSZACIVSA-N 419.432 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1722382182 FSRQBJQZWQZESQ-HNNXBMFYSA-N 416.478 1.449 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCSC2)CC1 1722442326 YKEYROOEWFCCAH-JOCHJYFZSA-N 411.575 1.687 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CO)CC1 1722458083 CJDCKPKSWQVGKM-UHFFFAOYSA-N 403.508 1.581 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722458204 FWQNZIHFHULGHF-CVEARBPZSA-N 418.567 1.481 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)CC1 1722583662 SRWMEJMUHGRXQL-MRXNPFEDSA-N 420.539 1.907 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1722620812 RZOWASWNTUEAKA-UHFFFAOYSA-N 414.514 1.126 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](OC)C1 1722706385 QINULYDZDOGVIZ-KRWDZBQOSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cscn2)CC1 1722726388 DMIGSBLMYMHRST-UHFFFAOYSA-N 422.580 1.535 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1722732070 ULLYKDUUKSDTOK-FUHIMQAGSA-N 424.567 1.910 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1729314180 NCTUFSKJWQJFCQ-UHFFFAOYSA-N 420.477 1.063 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1731180157 BIQZIOOOMYAOOF-OKZBNKHCSA-N 410.478 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1nccnc1C 1740642582 SCEOZPXQBOIPRE-UHFFFAOYSA-N 410.485 1.931 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1740668997 IGXITXHOOHXMSW-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCCC2)CC1 1740697659 BNPXUSFHEPASPA-UHFFFAOYSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN(C)C2CCCC2)CC1 1740707980 YBPLGDGSWHUESA-UHFFFAOYSA-N 416.570 1.655 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(C2CC2)C(=O)C1 1740742662 XPXWVQARPBASHH-UHFFFAOYSA-N 404.272 1.455 30 10 HDEE C=CCCOCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1740887581 AUHAVGKCCPKLQF-MRXNPFEDSA-N 413.588 1.934 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740967002 ZOPIGKSVJDUXBJ-UTKZUKDTSA-N 415.469 1.669 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740995066 YPNYEPQBMPZKEL-CVEARBPZSA-N 407.540 1.079 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740995669 UESNPOVGDFEIEL-IBGZPJMESA-N 404.540 1.292 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC(C)(C)C1 1742837600 PRSWIBHVAOLSSI-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCO1 1745335126 AMAIQBUMIKXAAN-GOSISDBHSA-N 407.482 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1748637695 DWCFQKWHQOJKET-QYWGDWMGSA-N 410.478 1.721 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1748666764 HRPYUXFDLPTQRH-AWEZNQCLSA-N 420.473 1.872 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[S@@](=O)CC 1748855711 IGVAZJABAQSVLX-MHZLTWQESA-N 403.533 1.111 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1748890149 JYIYITRBXPYCBH-QZTJIDSGSA-N 419.551 1.059 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CCOCC1 1748892972 ZAFWZFGWWQHTGB-FQEVSTJZSA-N 422.485 1.795 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCSC2)CC1 1748971150 FLAVPUBBRDMSBK-MRXNPFEDSA-N 404.584 1.705 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1748993862 OZPHEIGUCAWXQP-PMACEKPBSA-N 401.555 1.818 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCN(CCC)CC1 1749251467 FTHVOKVYAFNJMQ-AWEZNQCLSA-N 418.995 1.951 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1749402408 NKGDUJJXOHKJPH-MRXNPFEDSA-N 424.571 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1 1749738439 NBEWTSVSBJMEQA-QGZVFWFLSA-N 423.583 1.874 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749740767 JOPRHJVRYKNAIS-MRXNPFEDSA-N 420.583 1.927 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1750069977 PCMGWJHSQLXEKB-GJZGRUSLSA-N 416.482 1.797 30 10 HDEE C[C@@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1752411711 GCATUAQZKFMXLZ-AEFFLSMTSA-N 424.505 1.728 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1752445769 GSHGBVOJPBLWRU-KPOBHBOGSA-N 403.433 1.990 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1760193075 SIRJNNKPALKWAS-UHFFFAOYSA-N 421.457 1.395 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCOC(C)C)CC1 1760269444 IMIJBNJZUBWRSK-SFHVURJKSA-N 403.527 1.563 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760279289 YBNGBPFXMMVQSV-FUHWJXTLSA-N 415.567 1.202 30 10 HDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760359784 KVHCTGQFVDUUSM-IBGZPJMESA-N 410.522 1.870 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1760462007 NSZBRKUBRZDTKR-HXUWFJFHSA-N 423.565 1.669 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCS(C)(=O)=O 1760510655 IHWQVNBZIKACJC-UHFFFAOYSA-N 419.555 1.509 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)C[C@H]1CCCO1 1760521294 OWJNPRTXVTXPLL-CQSZACIVSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CNC(C)=O)CC1 1760524250 TWLZWTYTHFVFKF-KRWDZBQOSA-N 404.515 1.174 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1760543681 RHULDUGDFWPPIU-MSOLQXFVSA-N 417.535 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1760554340 AKWDKJKMMSPOAN-IBGZPJMESA-N 412.556 1.463 30 10 HDEE CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1766692385 ALFXQFVHELTWGZ-UHFFFAOYSA-N 416.507 1.200 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CC2)C1 1767252274 HQHACVOZSPZYDV-KRWDZBQOSA-N 400.508 1.745 30 10 HDEE CN1C[C@@](C)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1767504591 APIADVLQMDFMIF-KKSFZXQISA-N 407.478 1.216 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1769586164 GCZACQPKJZSTRU-NVXWUHKLSA-N 412.494 1.855 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@H]1NC(=O)CC1(C)C 1769843641 QYKBTPDGFMLDHP-KRWDZBQOSA-N 411.510 1.930 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCn2ccnc2C1 1769845109 HIEXVZYWCSHCRX-ROUUACIJSA-N 413.526 1.998 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1770874630 UYVPVYCCGCOTED-KRWDZBQOSA-N 410.434 1.865 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1770918513 CEHZWVUJEKGIRO-DLBZAZTESA-N 415.519 1.724 30 10 HDEE C=CCN1CCN(C(=O)CN(C)c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1850413512 QIUJESUGXODRSK-UHFFFAOYSA-N 408.549 1.466 30 10 HDEE COc1ccc(S(=O)(=O)C2CN(CCNC(=O)Nc3ccc(C#N)cc3)C2)cc1 1851829537 ZQGYKWQGNHNSFB-UHFFFAOYSA-N 414.487 1.846 30 10 HDEE COc1ccc(C)cc1N1C[C@@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852460130 IECVLOSBROXFNY-IRXDYDNUSA-N 422.441 1.987 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cn(C)nc2C(F)F)C1=O)[C@@H]1CCN(C)C1=O 1854097729 CSJUSOMBVHSDAV-LSDHHAIUSA-N 423.464 1.598 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cn(C[C@@H]4CCCO4)cn3)C(=O)C2)c(F)c1 1854240894 IHIMVCDJVZNHRB-KRWDZBQOSA-N 411.437 1.557 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3ncc(Cl)cn3)C2=O)C1 1854342282 VJYMWTOCGXLSKB-HNNXBMFYSA-N 412.837 1.291 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)OC1=O 1854649905 CTFHXYSCKAVODB-AWEZNQCLSA-N 413.402 1.627 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)C[C@H]3CCCO3)C2=O)CC1 1854862994 AGKJGHMKWJARFR-RTBURBONSA-N 412.490 1.741 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cncc4ncccc34)C(=O)C2)C1 1855047149 SCUSHTUSJGRQLJ-IAGOWNOFSA-N 406.490 1.681 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C(=O)C1 1856408123 MZWPWVUEAPCISE-GJZGRUSLSA-N 408.499 1.721 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1856637800 WZQSGKOSHHZIKA-IEBWSBKVSA-N 417.531 1.835 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(C(F)(F)F)nc2)C1)[C@H]1CCN(C)C1=O 1857264745 OSOQYRDAMZTYFR-ZFWWWQNUSA-N 424.423 1.808 30 10 HDEE Cc1ocnc1C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857380852 IHTWYSQSMXKTCD-MRXNPFEDSA-N 408.462 1.451 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1870106809 HHTORJGWLGNEHG-LBPRGKRZSA-N 418.388 1.960 30 10 HDEE O=c1c(Br)c(N/N=C/c2ccncc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873526855 ADJKPJYIOKGZOK-RGOWCBCBSA-N 412.269 1.206 30 10 HDEE Cc1ccsc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874338271 OHYLCILAXLJFMR-QSEIOMAKSA-N 406.537 1.832 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3cccc(C)c3nc21 1875237280 HYTTWKGNDXKBQK-UHFFFAOYSA-N 407.474 1.886 30 10 HDEE C[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1CCN(C(=O)OC(C)(C)C)CC1 1880980160 NKMCLPFWDCJBIG-ZDUSSCGKSA-N 403.435 1.682 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)N[C@H](C(=O)O)C(C)(C)S 1882714018 QRNQAJWDIIRKOJ-MWLCHTKSSA-N 403.526 1.857 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890105961 GLOZQINTTJQKDW-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE Cn1nc(CN=C2N[C@H]3COC[C@@H]3CS2)c(I)c1Cl 2117762990 HNIHLVQSYMAEAH-SVRRBLITSA-N 412.684 1.886 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@]1(C)CNC(=O)OC(C)(C)C 2174781401 FQHOQPQRCPSJFB-KDOFPFPSSA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180095694 VPAHVHBSFPLOCE-LSDHHAIUSA-N 400.541 1.965 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NC[C@@H](CC(=O)O)C(F)(F)F)C(F)(F)F 2180574556 LJOMFSWLDKJDJO-SPGJFGJESA-N 406.201 1.755 30 10 HDEE C#C[C@@]1(C)COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2221410218 ARXFUYZGZFBEPQ-FQEVSTJZSA-N 404.488 1.363 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2229464338 OMCATASHQAZTHY-XOBRGWDASA-N 417.487 1.253 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@H]2C1 2235556981 MMSMBCUXVHELKQ-OWCLPIDISA-N 401.529 1.065 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CO1 2243675173 SNRGDUHJNVCRGL-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813087 IVYLZKLTTLYENG-STQMWFEESA-N 420.319 1.600 30 10 HDEE CC1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)OCCO1 2247901499 LGYMUSJQIBAZPN-UHFFFAOYSA-N 403.331 1.230 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NC[C@@H]3CCN3Cc3ccccc3)nc2)OC1(C)C 2247921800 VXJHFGJRZBTBHD-SFHVURJKSA-N 408.311 1.780 30 10 HDEE C=C[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258158304 JNCDUNGWEDOVAM-DOTOQJQBSA-N 410.492 1.682 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267360340 UANXBUSHOYBFGZ-JTQLQIEISA-N 406.766 1.683 30 10 HDEE CNC(=O)OC1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281933715 CMRXTWYFFRJEFV-UHFFFAOYSA-N 400.693 1.881 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC(=O)N1 2282303971 DEVGHODDRSCIOW-SECBINFHSA-N 420.749 1.210 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CC[C@@H]3CNC4)cc2Cl)OC1(C)C 2282304410 KFTOOWAXZBVLSG-QLJPJBMISA-N 418.777 1.731 30 10 HDEE CC[C@@]1(O)CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282319134 PBUZCXVORVSWCP-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNC[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282328336 WATYCCVYYXDYNF-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCS[C@H](CCO)C3)c2)OC1(C)C 2282340498 GOZYVJPYSGVGEP-CYBMUJFWSA-N 419.399 1.536 30 10 HDEE CO[C@H](CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)CSC 2282349686 BXZUYTOZXBDYSV-CQSZACIVSA-N 401.359 1.642 30 10 HDEE CN1CCC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282500880 OXBZGWPLJRDHOK-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE COCCOCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504216 LRUUHUYGYLFQLV-UHFFFAOYSA-N 405.347 1.130 30 10 HDEE C[C@H](CC(N)=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282505141 ZIUYUXXAJHAVLV-SNVBAGLBSA-N 402.709 1.181 30 10 HDEE CN(C[C@@H]1CC1(F)F)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282509735 OLKBRPZPOPUUGR-JTQLQIEISA-N 408.301 1.859 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511207 KTSQMIBYBHPKBL-NDHGSNPTSA-N 421.777 1.685 30 10 HDEE C[C@H](C[S@](C)=O)N(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282542526 FMNYEHPFJULOSJ-SKVICXGVSA-N 403.741 1.212 30 10 HDEE Cn1cc(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282545288 HQKIPUITCQHZHW-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE CCN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2282613019 ISBKHAPHWVUQRJ-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@@H](CN)C3)c2)OC1(C)C 2282848931 UNOIZKYJKBHIAF-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CCCNC3)s2)OC1(C)C 2282858916 FLZAEEAIHYUCDK-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE COCOCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874506 BHZKKABOUWXRND-UHFFFAOYSA-N 405.347 1.477 30 10 HDEE CC(C)[C@@H](C)[C@H](N)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881823 CVTVHFQWJZORSU-TZMCWYRMSA-N 402.391 1.945 30 10 HDEE CC[C@H](CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284403496 SFXNJJHFITZSOR-LLVKDONJSA-N 403.331 1.745 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)[C@@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284410105 RERSJEJDKALKKB-GHMZBOCLSA-N 403.331 1.743 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(NC(=O)OC(C)(C)C)COC2)[nH]1 2300129730 OGTTYJBZFQQZRX-UHFFFAOYSA-N 419.331 1.817 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2300224775 JHSZKELPJUDQIF-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccncc2)CC1=O 2327841552 OYNZXCUUJOLJMC-ZDUSSCGKSA-N 401.496 1.247 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(OC)c1OC 2330944430 XCZDSVWEFGDECY-GFCCVEGCSA-N 421.479 1.615 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1ccc(C(=O)O)cc1 2331548674 UHTXJIYLHMNEGZ-UHFFFAOYSA-N 405.480 1.965 30 10 HDEE C=C[C@@]1(CO)COCCN1C1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2345202535 AHSAZYCXUUAEOD-HXUWFJFHSA-N 404.463 1.492 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@H]21 2365178758 LHJYJJHYQWVCOJ-NXEZDXNNSA-N 401.525 1.636 30 10 HDEE CCCN[C@H](C#C[C@H]1CC1(F)F)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2366732907 URWILMCWJCDHLP-ZNMIVQPWSA-N 406.495 1.951 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2367100022 YNJORGRZZWYIFU-FMKPAKJESA-N 401.525 1.827 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367801856 WMFHUJNERUINRH-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367804506 UEEYURIJFSYCDQ-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)[C@H]1CCN1C(=O)OC(C)(C)C 2367809115 KAVKGSOMJWJJSL-IIDMSEBBSA-N 400.541 1.306 30 10 HDEE CN(C[C@@](O)([C@@H](N)C#CC1(S(C)(=O)=O)CC1)C(C)(C)C)C(=O)OC(C)(C)C 2367818964 NUXHNGWIMFAEKV-IFXJQAMLSA-N 402.557 1.538 30 10 HDEE CCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(CCC#N)CC3)c2)n1 22709 BIVNBTVLPGTMKO-UHFFFAOYSA-N 406.450 1.551 30 10 HDEE C=CCNc1nc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cs1 22107889 ATCDBEBWPOGZCQ-UHFFFAOYSA-N 420.516 1.944 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)CC1 105326721 DIMSSGCAQNEMKW-HSZRJFAPSA-N 416.485 1.512 30 10 HDEE C#CCOc1ccc(CCNC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)cc1 109731497 OJWIQXRASUKRQI-HXUWFJFHSA-N 408.433 1.617 30 10 HDEE C#CCN(Cc1nc(N)nc(Nc2ccccc2CC)n1)[C@@H]1CCS(=O)(=O)C1 111191226 WXLRRKGZJWSHFV-OAHLLOKOSA-N 400.508 1.382 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2cnn(CC#N)c2)c1 139636893 GPTLQNXLQAAILK-UHFFFAOYSA-N 402.480 1.509 30 10 HDEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C(F)(F)F)c1 254579034 LXFLCLLTFCKKFB-NWDGAFQWSA-N 408.423 1.953 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)NC)c2ccccc2)c1 435941526 LUZZCLVKWIHWGG-GOSISDBHSA-N 401.488 1.758 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 470533983 XNVQCJVZRLNATP-INIZCTEOSA-N 419.507 1.425 30 10 HDEE CCCCN1CCc2ccc(NC(=O)C(=O)NCCCc3[nH]nc(N)c3C#N)cc21 473046464 CWGXUDKKAVNXSB-UHFFFAOYSA-N 409.494 1.714 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](OC)C[C@@H]2CC(=O)OCC)c1 478771597 YHUCZTPDZCVTPQ-HZPDHXFCSA-N 410.492 1.334 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 479927808 ICSYRJYBVNEJQU-GJZGRUSLSA-N 424.486 1.683 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(C[C@@H](O)COc3ccc(CC#N)cc3)C2=O)C(C)(C)O1 480393377 DHYTYSMVLCXGJI-QVKFZJNVSA-N 401.463 1.760 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 481747638 HSCAVFQNRDPMKR-UAGQMJEPSA-N 423.560 1.738 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)CC1 483619398 JLCQXCDSFLMPMX-AWEZNQCLSA-N 422.507 1.473 30 10 HDEE COCc1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 488241055 JBAFOINVLJILPY-UHFFFAOYSA-N 421.504 1.700 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 488829681 SMAHKSQRGHDZLB-GFCCVEGCSA-N 411.480 1.987 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 501534090 SSLLJMDIDJWPLK-UHFFFAOYSA-N 416.266 1.716 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CC1 505243579 ANZPJXKAZOXYBU-UHFFFAOYSA-N 424.457 1.996 30 10 HDEE Cc1cc(C)n2c(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cnc2n1 506806543 RDYDKLYSWAJRIT-UHFFFAOYSA-N 410.503 1.724 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(COC)CC1 508494199 OAUTZHZRKYYMCZ-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 508940034 WDZXFENAYZBUSF-ZDUSSCGKSA-N 401.558 1.129 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@]3(CCCOC3)C2)CC1 510641915 WNNKPKYNIHXDFE-XLIONFOSSA-N 404.536 1.338 30 10 HDEE Cc1ccc(C(=O)NCCCc2nnc3ccccn23)cc1S(=O)(=O)NCC#N 521780765 NQUWWBXYXGDZLZ-UHFFFAOYSA-N 412.475 1.202 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 546617834 LFFBECDKPUPRSV-ZDUSSCGKSA-N 418.475 1.668 30 10 HDEE NC(=O)[C@H]1Cc2ccccc2N(CC#CCN2C[C@@H](C(N)=O)Cc3ccccc32)C1 551699541 GBKHAVSZIHFDOR-PMACEKPBSA-N 402.498 1.318 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)cc1C#N 563665120 HTTPBKBDDCZWQP-OXQOHEQNSA-N 400.504 1.830 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2ccc3nncn3n2)CC1 572505894 JNDRBNCDJKWZKP-UHFFFAOYSA-N 424.513 1.147 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CC(N)=O 589157243 PLYMAQDXQXJURS-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(Cc3ccccc3)C2)CC1 604184013 BTKVOQSYGWSVNH-NRFANRHFSA-N 413.566 1.528 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 609596352 OQVHKYSPUOKYIP-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)NC1CCC(Oc3ncccc3C#N)CC1)CC2 615074645 VLPQNMXJBHYQGC-UHFFFAOYSA-N 422.489 1.988 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)cc1Br 618952566 HHEGFFJVGWYSFN-UHFFFAOYSA-N 402.270 1.102 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H]1c1cncn1C 619433328 MNLISCQLMUGTLB-LVCYWYKZSA-N 414.554 1.802 30 10 HDEE C#CCN(C[C@@H](O)COc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 731213503 DRFQEIBUWKNJAJ-LSDHHAIUSA-N 402.310 1.311 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Cn2ccccc2=O)cc1 732454361 WOXFWCZJBQZLEM-QZQOTICOSA-N 421.457 1.222 30 10 HDEE N#C[C@H]1CN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CCN1C1CC1 732650675 BKFFOGMYUIAYEK-HNNXBMFYSA-N 411.531 1.926 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)CCN1C1CC1 732708035 KSYFCZIXEKDTGP-IRXDYDNUSA-N 416.453 1.521 30 10 HDEE CN(C)CCNC(=O)c1cccc(CNc2ccc(S(N)(=O)=O)cc2C#N)c1 742400092 MXFDTGIWRNDLNE-UHFFFAOYSA-N 401.492 1.109 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614819 LQTCEWNNVFXFSN-LSDHHAIUSA-N 409.508 1.592 30 10 HDEE Cc1ccnc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 754475964 AFATYTSDXFEMFK-OAHLLOKOSA-N 413.503 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760687917 YMRSQLDHLGGJCE-UHFFFAOYSA-N 400.483 1.652 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCC(=O)OCc2ccccc2)CC1 767236676 QNDDDPWJFMCRDE-UHFFFAOYSA-N 414.487 1.539 30 10 HDEE C#C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCCO1 775343162 XYXIRXSLOUIYNJ-LSDHHAIUSA-N 405.248 1.732 30 10 HDEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 777471850 TUSQPSHPKKWTCH-KRWDZBQOSA-N 418.519 1.991 30 10 HDEE COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)OCC(=O)NCC#N)C(=O)OC2 780119878 XEVJECKPSNAHOR-QCDXTXTGSA-N 416.430 1.832 30 10 HDEE N#CCN1CCC(CNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780949989 IQUMSWBGLRCZBZ-NRFANRHFSA-N 400.479 1.424 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 781846485 VOOLDQZQFLCCFX-OXQOHEQNSA-N 422.503 1.075 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Cl 791030494 WGSBYZNYBPLRFC-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)cn1 791187724 ADNGGWCNAUCNGB-JENIJYKNSA-N 414.535 1.328 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 798036682 MUHSZDVKXXQRER-WQFQCULDSA-N 415.490 1.868 30 10 HDEE C[C@@H](C(=O)OCc1cc(=O)n2cc(Br)ccc2n1)n1cnc(C#N)n1 798742458 NWFRHYMRAOSSTL-VIFPVBQESA-N 403.196 1.225 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 800772367 AVVZPVHYZNEWKQ-UHFFFAOYSA-N 412.494 1.982 30 10 HDEE N#Cc1c(N[C@H]2CCN(C(=O)COc3ccccc3)C2)cccc1S(N)(=O)=O 800885649 GQTVYQGEQYNWOF-AWEZNQCLSA-N 400.460 1.297 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 803609427 SQMWIWRZXUIQKY-AWEZNQCLSA-N 408.476 1.294 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c1 805262196 ANAXYELSPDHIJJ-YOEHRIQHSA-N 421.519 1.726 30 10 HDEE N#Cc1cc(NC(=O)c2ccc(CN3CCOCC3)cn2)ccc1N1CCC(O)CC1 810449454 QQZJEXDCWRGAKB-UHFFFAOYSA-N 421.501 1.999 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)OCc2ccccc2)n1C[C@@H]1CCOC1 812415340 CQEKNOJLNGHKCH-IBGZPJMESA-N 407.474 1.814 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccc(F)cc1 812748910 WHLKITBBCKOFNM-SFHVURJKSA-N 415.446 1.051 30 10 HDEE N#Cc1ncccc1COC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 813164671 UHEDGMIKQDPYEY-INIZCTEOSA-N 401.444 1.768 30 10 HDEE C=CC1(CC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1136114776 SAAKFGZYZSXIGF-UHFFFAOYSA-N 421.538 1.897 30 10 HDEE C#CCN(C(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136354996 GRLAWTJDSSPFEJ-CQSZACIVSA-N 419.503 1.642 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 1138095617 YGIAQDAIDOKHID-UHFFFAOYSA-N 411.466 1.630 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1141498300 QVMQTDJHXAZNIX-INIZCTEOSA-N 411.549 1.892 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1159761089 BIZNYKNIPKKTBN-MRXNPFEDSA-N 416.499 1.943 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C[C@@H](O)[C@H](Oc2ccccc2)C1 1175269344 YFTLZSOCFPSHID-WOJBJXKFSA-N 403.442 1.807 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC2(CC1)C[C@@H](O)CNC2=O 1176727530 HLLOXHKSJAPELT-HZPDHXFCSA-N 416.547 1.982 30 10 HDEE N#Cc1ncn(CCNS(=O)(=O)Cc2cc(Cl)ccc2Br)n1 1190076617 AEJHAWPIMAZIMR-UHFFFAOYSA-N 404.677 1.685 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCN(C)CC1 1224193774 GQPFMYSWPRHOOX-IBGZPJMESA-N 411.550 1.627 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC(C)C)CC1 1225053858 YPLFUJBKHNNMJC-UHFFFAOYSA-N 415.556 1.423 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccc(Br)cc1 1230499550 YSWHLTQOEHKWEF-HUUCEWRRSA-N 414.325 1.847 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3cnc(Br)cn3)CC2)c1C#N 1234130991 MVVQGQOIXRRJNP-UHFFFAOYSA-N 422.312 1.908 30 10 HDEE C=CCN(C(=O)c1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1264995446 GYTKQYRXVZKHHC-AWEZNQCLSA-N 400.447 1.617 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1275806483 QCZTXBNKRRSIKE-UHFFFAOYSA-N 402.476 1.891 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3cc(Br)ccc32)C1=O 1278507409 HRPPWZICGUQCPT-UHFFFAOYSA-N 408.208 1.151 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1286321810 BISGEJHNOPQTCF-SFHVURJKSA-N 421.567 1.817 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286329650 VNLUYEPWFAYADX-IBGZPJMESA-N 411.531 1.694 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1286389854 RUHWBCMDCUKBIC-GOSISDBHSA-N 400.504 1.323 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1286404641 XAERHMPXXWUNHO-IBGZPJMESA-N 421.501 1.950 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O 1286415373 ARYDIVKMGIIAPP-UHFFFAOYSA-N 417.560 1.501 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286625127 HFBDZLGZRJIELB-CQSZACIVSA-N 403.918 1.815 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CC2(C)C)CC1 1286646748 VUNMZKAQNHBVLX-HOTGVXAUSA-N 409.556 1.814 30 10 HDEE C=CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1286685171 OIZXIGZBPCVSFD-UHFFFAOYSA-N 403.508 1.641 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCO[C@@H]1C 1286769387 USVMONUGLCWFKQ-AUUYWEPGSA-N 407.540 1.813 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@H]1CCOC1 1286783866 OHTHQZWHIHAXOS-OAHLLOKOSA-N 415.494 1.737 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)C2CCOCC2)C1 1294704714 ODQHHJBVRSSZFW-QGZVFWFLSA-N 408.296 1.661 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCC(=O)OC)[C@@H](C)C3)n[nH]2)c1C 1295738188 FEMAJOITPPXTGU-AWEZNQCLSA-N 414.510 1.785 30 10 HDEE N#C[C@H](CO)NC(=O)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1297880685 RUAFDWJZDDKLOY-MRVPVSSYSA-N 404.146 1.663 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCNS(C)(=O)=O 1298328971 RIOMTYLIIKIOAP-MRXNPFEDSA-N 404.496 1.187 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](OC)C2CCC2)CC1 1299464018 KDMXYPCGOZFPNA-WMDQAZIPSA-N 400.519 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCOC1 1300307811 IRTCAHXXHVDFFZ-IERDGZPVSA-N 411.510 1.061 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CCC)C1 1300446411 KITCUYABAXPZTB-QGZVFWFLSA-N 405.510 1.722 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC(F)(F)CO2)CC1 1300683397 NNZLDTSCTVSTTK-HOTGVXAUSA-N 413.469 1.182 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C1CCC1 1301568072 NEQMOWMSZQUQSV-UHFFFAOYSA-N 404.496 1.515 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1302099291 UHEIHKWTASSLJU-ZRGWGRIASA-N 405.455 1.232 30 10 HDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1302625498 DHONAWQURDQCAY-SFHVURJKSA-N 422.530 1.755 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCOCCCO)c1 1302982246 HMAVQXHMOJKEAQ-RTBURBONSA-N 424.505 1.463 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@H]2CCOC2)CCO1 1303003501 HTBCPVFUBGOAIV-RBUKOAKNSA-N 415.469 1.932 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1303343027 VGAZGTRVOYIVIV-RZQQEMMASA-N 410.536 1.673 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1303347220 KLIRLSIALQEWQU-UTKZUKDTSA-N 416.526 1.884 30 10 HDEE N#C[C@@]12CN(C(=O)CCC(=O)c3ccc4c(c3)OCCCO4)C[C@H]1CS(=O)(=O)C2 1304002525 RWAYLVCOHCDNMI-YWZLYKJASA-N 418.471 1.208 30 10 HDEE Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1304821102 ZPLGDVFFURXMID-RUNIHZNKSA-N 400.483 1.366 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NOCCOc3ccccc3)C2=O)cc1 1305277677 SNGJDUXJPKCUNA-SFHVURJKSA-N 408.414 1.890 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)NCc1cc(S(N)(=O)=O)ccc1F)C2 1312969286 ZVGVCRHIWLPUGJ-UHFFFAOYSA-N 402.451 1.807 30 10 HDEE COCCc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 1319262276 YXNRZHRLJDECFR-INIZCTEOSA-N 410.434 1.324 30 10 HDEE O=S1(=O)N/C(=N/Cc2ccccc2CS(=O)(=O)N2CCCC2)c2ccccc21 1320165007 MGSAMGRKZOAQHP-UHFFFAOYSA-N 419.528 1.851 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1337636415 NVUPWIBBJOUIRG-FUHWJXTLSA-N 423.491 1.942 30 10 HDEE COc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCN(C)C)ccc1C#N 1354574013 DKCXOGIRAMYPOC-FQEVSTJZSA-N 406.486 1.812 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)[C@@H](C#N)C1 1355540197 HRQAQMKCULXEAS-ZDUSSCGKSA-N 409.468 1.038 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1358904688 JOPGQMWOBDHZAB-HZPDHXFCSA-N 424.571 1.187 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1358926795 CIDHYWJUFCDSQZ-KRWDZBQOSA-N 412.542 1.129 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358928729 JBRPLKUUACKYLT-GOSISDBHSA-N 423.521 1.754 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1 1359049498 QPNDVQMRLOFJMA-OAHLLOKOSA-N 407.565 1.891 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)SC)CC1 1359165429 OLWVAHKTBROVJL-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1359281998 OQRMBZDYSVVGOB-SJORKVTESA-N 411.572 1.303 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1447479657 FXIQBCFKQJPVLB-FUHWJXTLSA-N 423.473 1.786 30 10 HDEE COCC(COC)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1451424730 UCAOGMNBMVLPEC-QGZVFWFLSA-N 412.531 1.379 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccc(Cl)cc3)nc2C)CC1 1455115280 NDDQUAINHAQVMQ-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1455705114 NINMCQCPDYDYFJ-RBUKOAKNSA-N 413.518 1.309 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 1464339294 UGBMYRSEIXNNOT-GOSISDBHSA-N 409.446 1.938 30 10 HDEE CCN(CC(=O)NC)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464888615 GLVBBCROKQVMGO-SFHVURJKSA-N 400.479 1.987 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1466064279 JJAUUARJMIRELR-CVEARBPZSA-N 412.494 1.692 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)cc1 1470398374 WTVHXYBTEWMHIW-QGZVFWFLSA-N 409.414 1.620 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@@H]1Cc3ccc(C#N)cc3C1)C2 1471145733 XBINHCBRQZQEKC-GOSISDBHSA-N 410.499 1.701 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)C1 1471832200 AYJSUSFHLZCXPF-CQSZACIVSA-N 408.428 1.906 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1472254692 ZOBXVKNTOLZUOB-LLVKDONJSA-N 418.251 1.590 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2cc(Br)cc3cccnc23)c(=O)n1CCO 1473077407 SRZLNTNLGHDWTA-UHFFFAOYSA-N 415.247 1.541 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c1 1475303989 GEJOPSLBVQNNJR-YJBOKZPZSA-N 404.492 1.535 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)nc1 1479068939 LOLLYUHNDAVJGS-UXHICEINSA-N 422.489 1.412 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1501401686 ZKWQXEQFFPOFJH-VQIMIIECSA-N 407.522 1.968 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1503708680 MVJUHLXYIPAKOS-SZNDQCEHSA-N 409.494 1.113 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1504599605 RSRGZUACXBYLQJ-HOTGVXAUSA-N 407.471 1.425 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1505269990 XAGJDBHWYWBFJG-AGLAPXLDSA-N 423.477 1.074 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCC(O)CC2)C1 1505314320 BNEHTPYIRJHJBZ-FXAWDEMLSA-N 406.506 1.808 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1505319965 PQQJEKPADQKTFF-OALUTQOASA-N 424.461 1.263 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1507513512 AGJPWGXQKMFFFS-NHAYFPRASA-N 424.615 1.857 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1507624568 BOHDEVIKQWEHGE-FXAWDEMLSA-N 424.567 1.747 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OCC 1507642255 RRLKSTGQIVSENT-JOCHJYFZSA-N 409.490 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1507666837 GPVZXMYUMOZLGR-INIZCTEOSA-N 411.462 1.274 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1507719367 NKDPQTSGFYSCKB-VXKWHMMOSA-N 417.554 1.501 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1507757345 YEINVSLBJFTFKJ-IBGZPJMESA-N 423.546 1.732 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507833391 PACJWMXDYSIKHT-AWEZNQCLSA-N 415.523 1.402 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507848496 LFBLCGWKDZSZBP-UZLBHIALSA-N 407.515 1.223 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NC)CC1 1507920173 TZDPZIHLFLFLEZ-UHFFFAOYSA-N 402.543 1.965 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCOC2(CCOCC2)C1 1507962040 LLZIWKHIGCVXLA-UHFFFAOYSA-N 400.483 1.714 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1508010323 QRGDNWJYNSNWGB-CQSZACIVSA-N 422.559 1.462 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1508085334 UFSMKOXIFSHQAV-KRWDZBQOSA-N 411.510 1.061 30 10 HDEE CC1=CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1511374117 IEEZWOALSHNGHG-RJCBAWPRSA-N 412.494 1.855 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C1 1517668308 HUBSNROGOXQBMJ-GOSISDBHSA-N 412.494 1.394 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@@H]21 1519530659 MSWUSJZRLCDJDC-ROUUACIJSA-N 415.519 1.867 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1524476421 KGKDCBRFXTXVFT-UHFFFAOYSA-N 404.264 1.688 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1530726127 YZNWXWKJYVKNNM-WMLDXEAASA-N 409.464 1.293 30 10 HDEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)ccc1C#N 1531858079 FTHGWLZFQNCXPF-UHFFFAOYSA-N 421.500 1.913 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC(=O)N(C)C1=O 1537025182 KAZSVXBTLAUSFU-GFCCVEGCSA-N 424.251 1.362 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539112594 UIGCQPVIMFHLGA-UHFFFAOYSA-N 404.478 1.507 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC(O)CC1 1539167821 MYTKYGCMUZXWNF-UHFFFAOYSA-N 417.517 1.810 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC=C 1539390811 WFFDAJOURHANPJ-UHFFFAOYSA-N 407.453 1.760 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1539446474 ZXDZLQQCYXSILA-NRFANRHFSA-N 416.533 1.793 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1539446567 GFIUVTYJJFNVMK-HXUWFJFHSA-N 400.571 1.538 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539515084 XEZODPBJIKDFPF-MRXNPFEDSA-N 411.597 1.820 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CC1 1539889991 GGJBLMAHDFAKFR-IRXDYDNUSA-N 410.540 1.388 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539975010 JOSIBMKOQAVMMZ-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540036846 VNBALNGOZXWKFZ-IRXDYDNUSA-N 404.515 1.668 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1541699336 QITGKYUSYWCKFV-HOTGVXAUSA-N 410.434 1.455 30 10 HDEE COc1ccccc1SC[C@@H](C)CNC(=O)CCn1cc(C#N)c(O)nc1=O 1543178350 GJXLKGBFSCPHDM-ZDUSSCGKSA-N 402.476 1.764 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@@](C)=O)CC1 1546532173 BQHIKYDSSDWHBT-IZPCHGGPSA-N 414.539 1.128 30 10 HDEE CO[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1554667735 DJTXJLJGFZTWGP-HUUCEWRRSA-N 416.507 1.423 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCO[C@H](C)C1 1555556716 GWGFEWYPHFUZKQ-IKGGRYGDSA-N 404.515 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)C1CC1 1555663316 KMMSSSQYQLZCFO-FQELHTAISA-N 418.542 1.340 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)NCC(=O)OC 1557095408 KTXXSWXFCAIBNM-CHWSQXEVSA-N 417.890 1.303 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc1S(=O)(=O)NCC#N 1558784938 CZNHHEDZVAMPJR-KRWDZBQOSA-N 416.507 1.473 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](OC(=O)N(C)C)C3)ccc2c1=O 1558984605 DVKIFKVYDWDITB-ZDUSSCGKSA-N 402.476 1.784 30 10 HDEE C[C@]1([C@@H]2CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)COC(=O)N1 1560152802 HGKJFECIFSAZFS-IIBYNOLFSA-N 408.462 1.893 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 1565814696 FAZPNWOQGNLSII-DEOSSOPVSA-N 418.497 1.774 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3ccn(CCN(C)C)n3)c(C#N)c2N)cc1 1566186319 BVYLJRDCWCLIPS-UHFFFAOYSA-N 420.521 1.755 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccc(O)c(S(N)(=O)=O)c3)C2)c(F)c1 1567089646 OKPCICUIASFOBR-GFCCVEGCSA-N 404.423 1.515 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]n1 1568508457 OBBNMTUQZRYUOK-OAHLLOKOSA-N 409.446 1.768 30 10 HDEE CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1584007819 HZDHGBFITIQPHW-CABCVRRESA-N 421.498 1.237 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NCC#C)CC1 1587803701 KKNDRYDWNVJBRH-UHFFFAOYSA-N 412.538 1.576 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1587989087 GRESKNRDQWNGDU-ZDUSSCGKSA-N 410.446 1.607 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@H](F)C2)CC1 1588923776 LVWHYLLGXLWCBW-UAGQMJEPSA-N 416.501 1.333 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589110658 YGSAYKUCZKYOLS-HNNXBMFYSA-N 420.539 1.044 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1594497387 GKSWTPXQSSYETI-HOTGVXAUSA-N 423.583 1.874 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595405760 WXEKZKOAFHWIEI-IFXJQAMLSA-N 406.483 1.603 30 10 HDEE CCC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1595692824 NDNCUVWUQKBUGK-QGZVFWFLSA-N 411.462 1.280 30 10 HDEE Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1612539117 HSLWOABIOJJVAR-HTXNQAPBSA-N 410.482 1.663 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c1 1613451731 AEBOVYYZCNTAKQ-HNNXBMFYSA-N 403.435 1.675 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1619723348 NJQHGRYSXCJBLI-SFHVURJKSA-N 412.494 1.728 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1622278116 NLOAAJSHXAEXOT-MRXNPFEDSA-N 412.533 1.132 30 10 HDEE CCC1(Cn2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)nn2)COC1 1624576834 CIWIHAAAJHELGY-IBGZPJMESA-N 412.469 1.866 30 10 HDEE N#Cc1cn(CCC(=O)NCC[C@@H](O)c2ccc(Cl)c(Cl)c2)c(=O)nc1O 1625167035 BPVPWCZQOSEJMM-CQSZACIVSA-N 411.245 1.757 30 10 HDEE C=CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)[C@H]1CCS(=O)(=O)C1 1626456565 OWCILAXSOYGWJE-ZDUSSCGKSA-N 405.476 1.909 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 1629537023 NRSSMODBULNVTF-UHFFFAOYSA-N 409.939 1.906 30 10 HDEE CNS(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1631138366 NCCKIZVTCKYQEN-OAHLLOKOSA-N 408.329 1.058 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCC1 1631845599 BIVQVUKAMFOZFB-UHFFFAOYSA-N 404.471 1.846 30 10 HDEE C/C=C/C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1633749793 RWTUGGUVCNVKNS-HNKISGKTSA-N 412.446 1.777 30 10 HDEE C/C=C/C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1633749795 RWTUGGUVCNVKNS-VDLFBQIGSA-N 412.446 1.777 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@@H]1CCCO1 1634469020 CIKAVCJBXMRVQA-NWGLXNPWSA-N 401.511 1.588 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2cncc(C#N)c2)c1 1635325903 NGRWXIJMPCPUJO-UHFFFAOYSA-N 408.867 1.461 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CSc2nc(-c3cccc(C)c3)no2)CC1 1635993767 SJCWKMRWJRNHFA-UHFFFAOYSA-N 413.503 1.031 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(CC(=O)NCCO)cc3)n[nH]2)c1C 1636127157 FUQPKIVJCTZKLK-UHFFFAOYSA-N 422.489 1.979 30 10 HDEE Cc1nn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)o1 1636463272 DAHYNYMAKVCHQN-BQBZGAKWSA-N 409.233 1.774 30 10 HDEE NS(=O)(=O)CCCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463526 JNPHPONSLSFYMS-KNVOCYPGSA-N 418.306 1.685 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@H]2C(=O)OCC)s1 1636744403 SGURSQCHBJQKPC-KGLIPLIRSA-N 400.522 1.603 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 1641463418 HPJYFHSHEPNZIL-RDTXWAMCSA-N 415.519 1.611 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1641702604 STOMQRQVNTYHIA-AWEZNQCLSA-N 420.516 1.485 30 10 HDEE C[C@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1649562386 CURLXPXGMATYFV-UWJYYQICSA-N 415.542 1.251 30 10 HDEE Cc1nn(C)c(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)c1C#N 1653318246 CAGSKIOCNNTZEA-KRWDZBQOSA-N 424.505 1.047 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](C(=O)OC)[C@H]3CCOC3)n[nH]2)c1C 1653863666 CWVVNHKDKBQDMM-GJZGRUSLSA-N 401.467 1.632 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)C(=O)N1CC#Cc1ccc(C(F)(F)F)cc1 1656385254 NQNSXRWYJMAJMF-UHFFFAOYSA-N 423.391 1.570 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)c1 1660071034 LPUNHVAJYPVFSL-CEXWTWQISA-N 419.547 1.464 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(Br)ccc(OC)c2F)C1 1665457334 NRLLKVQWJAACKI-LLVKDONJSA-N 405.289 1.973 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1670678445 GBVGBELYLGYXDL-MJKGWSOKSA-N 403.504 1.734 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1672354194 ZVGUXYFYHMJTPW-HKUYNNGSSA-N 418.453 1.992 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)nn1 1673902113 MGSUHEIAQKIGEE-LJQANCHMSA-N 400.483 1.345 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1cn(C)c2ncccc12 1675384542 VMSMALOTEBNRAK-OAHLLOKOSA-N 404.478 1.698 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(OC(C)(C)C)c2)CC1 1675748299 MDVHWZGVBJCWHD-UHFFFAOYSA-N 408.524 1.159 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)Cc2ccc(Cl)cc2)CC1 1677551395 MKPVOHXRXPUMBV-QGZVFWFLSA-N 412.943 1.456 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)C1 1682128181 UDOODHZASNLBLU-WBVHZDCISA-N 419.323 1.951 30 10 HDEE N#C[C@@H]1CN(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CCN1Cc1ccccc1 1685470342 LVCWJDVVSUUNIZ-MSRNWOCLSA-N 402.520 1.514 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1689873445 IZIUXWYPXVPRLR-UHFFFAOYSA-N 402.499 1.596 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689988299 MGTFMAOQPBTXRQ-RDJZCZTQSA-N 417.535 1.558 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1689998870 ZJVMDVYPYWQSIH-GPMSIDNRSA-N 408.524 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCO[C@H]1CCOC1 1690009747 IJGQHCNGCKVLIQ-IBGZPJMESA-N 422.485 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1690047560 UDWWMPLDMBVJJB-SFHVURJKSA-N 414.535 1.238 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC[C@@H]1C 1690053112 XPTJUMUDWBSWSH-FQEVSTJZSA-N 409.538 1.323 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(OC)ccc2OC)CC1 1690120249 NCYIWERYHWNNOS-UHFFFAOYSA-N 419.489 1.556 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1690122694 ZUZWRQFGLGQFEF-LJQANCHMSA-N 400.571 1.659 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1690124857 VVHPROLHTMYVIX-SFHVURJKSA-N 414.554 1.328 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1690136248 CFXADCSWFSQPPR-PGRDOPGGSA-N 415.538 1.705 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1690484622 AIGUTAGIFBZXJE-IAGOWNOFSA-N 409.556 1.814 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C(C)C)CC1 1690663431 WLDXZBRZTIJDAL-UHFFFAOYSA-N 413.482 1.686 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)c2cc[nH]n2)C1 1690690366 XIJXLUWGGAGXQF-HNNXBMFYSA-N 411.466 1.781 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(=O)NC)c2)C1 1690696692 HNTZDLGNPJEURD-ZWKOTPCHSA-N 424.505 1.418 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2C)CC1 1692496673 WZYDFGIFVFAQND-CRAIPNDOSA-N 421.505 1.571 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)C1 1692847054 WDLJAFZRCKRRBZ-IBGZPJMESA-N 417.539 1.333 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1705538932 DWZNBAPXRCWUQZ-PMACEKPBSA-N 403.483 1.375 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705657069 RIHBUXZAMDEBQX-SFHVURJKSA-N 421.530 1.739 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705665316 QEJASMDFIQBRQV-FQEVSTJZSA-N 421.567 1.354 30 10 HDEE C#CCSCCn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705665386 SFRZXWBLJLUVET-YLJYHZDGSA-N 407.584 1.827 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1705744542 HBMQBFLVDZUTTD-UHFFFAOYSA-N 405.890 1.446 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705785770 VTMYQCDHPROCEY-NKMKZGIRSA-N 406.527 1.944 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705816715 PWHQBJLFWZTHOS-INIZCTEOSA-N 417.539 1.706 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1705837414 AGNKKTPJQBMPKU-UHFFFAOYSA-N 406.468 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC=CCC1 1705903106 QHRGBVOQKNMDBN-HOTGVXAUSA-N 407.540 1.275 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705903879 XNQKPOMVMQBAFC-QGZVFWFLSA-N 407.478 1.081 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909454 XNVSVVHBDYNCJL-SFTDATJTSA-N 421.542 1.626 30 10 HDEE CC(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1706060701 BHMNZTGENBDSDI-CRAIPNDOSA-N 412.450 1.046 30 10 HDEE CC(C)(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1706095359 FNYZWSSAMZUUQV-HNNXBMFYSA-N 402.524 1.821 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1706935420 QXVIDBPDVYNUET-LPHOPBHVSA-N 422.555 1.338 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@H]1C 1708112735 QJTCKPMTJJNDOE-GJZGRUSLSA-N 402.524 1.991 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1709902768 ZBNCWZVSZLKVIX-SJORKVTESA-N 407.478 1.010 30 10 HDEE COCCN(Cc1ccco1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1712447902 IGKMAIDXKUBKNV-ISLYRVAYSA-N 400.439 1.359 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722335008 ABXDJXWMJDFDFZ-UHFFFAOYSA-N 412.538 1.509 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1722394835 HVPVCYHFTJLKFI-UHFFFAOYSA-N 417.311 1.597 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2CCN(CCC)CC2)CC1 1722437572 GLSSLVUWJYIZGR-UHFFFAOYSA-N 408.554 1.612 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722458249 XVYWEHBEBWDMQM-UHFFFAOYSA-N 413.551 1.494 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722483747 IXXSCZYUQKRBTK-IHRRRGAJSA-N 409.332 1.811 30 10 HDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1722539372 OGPFTMVYFWWNNA-KYJSFNMBSA-N 419.551 1.809 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722543598 KAQPJASFRWKRIX-NWDGAFQWSA-N 404.814 1.792 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCn2nc(C)nc2C1 1722695625 KDZOVDHVJMQEPB-UHFFFAOYSA-N 412.885 1.821 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCO[C@@H](C)C1 1722706480 UDRFWCJUMUTOER-INIZCTEOSA-N 415.494 1.783 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC2CC2)C1 1722711688 GYVIAYOLILSIRP-QGZVFWFLSA-N 420.539 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOC2(CCC2)C1 1722726037 XHULHQYMFJBLCM-UHFFFAOYSA-N 403.508 1.700 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722868889 FEWDBRGTOFFPBI-GUXCAODWSA-N 402.499 1.334 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1724304480 URQKXDNLBKPBSY-HNNXBMFYSA-N 411.466 1.965 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cc(C)on1 1729070232 LIHWQSPMLCNZIW-UHFFFAOYSA-N 408.466 1.753 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1729706870 QRPUCGJIOPKILH-XMSQKQJNSA-N 424.505 1.727 30 10 HDEE CS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1731019895 FHGUYKJHXIWRNL-SFHVURJKSA-N 406.487 1.054 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@](C)(CC)O1 1740678485 MYHAZCSMWBMURU-UTKZUKDTSA-N 403.527 1.948 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1740710066 PXINNRSDGVDXAW-ZHALLVOQSA-N 415.538 1.911 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740713261 ADQYWULXOFJJOA-KRWDZBQOSA-N 424.530 1.784 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740787622 JZPSUFWVHUYAHX-PMPSAXMXSA-N 415.560 1.342 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740946326 IQMFUVMDJIPLCN-LBPRGKRZSA-N 400.405 1.310 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740999912 HZCWGQFQJBZPAW-AWEZNQCLSA-N 403.512 1.931 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1744349112 QUQJHPMIKAKBSH-IRXDYDNUSA-N 423.477 1.224 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1748815561 RFKVKWWYGUPXLI-HNNXBMFYSA-N 405.549 1.904 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)c1ccccn1)[C@@H]1CCS(=O)(=O)C1 1748817893 SBYWGLKPMIZPJL-MRXNPFEDSA-N 401.536 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1CCOC1 1748843029 YEIGIUUZSZJGKD-QGZVFWFLSA-N 416.485 1.691 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1748922490 BBLPYNJXSDWISN-LJAQVGFWSA-N 410.503 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1748978308 KBBUPZPYNCFUMA-WOIUINJBSA-N 417.554 1.499 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)[C@@H](C)CC)CC1 1749019021 IIXXAOOZCYMEFH-PKOBYXMFSA-N 416.570 1.826 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749193469 KDJZTQXPDHDIRH-MGPUTAFESA-N 420.510 1.993 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1749449453 OUCIAFCZOAFCFC-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@@H](C)C1 1749666687 PWQJWWMVWLQYAR-KBPBESRZSA-N 423.477 1.510 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 1749669556 LURJPRQZHKEJFJ-OAHLLOKOSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H](C)C(=O)NC)nnc1C1(c2ccccc2)CCC1 1749682320 RLWIXUXSZQOEHY-KRWDZBQOSA-N 424.549 1.869 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1760113384 UHXUTRYXYUKLPL-GVDBMIGSSA-N 411.497 1.986 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760175919 VFFVQKNGTCWMGG-KGLIPLIRSA-N 411.528 1.163 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nnn(C)n1 1760211739 LUWQHVAWWFQNKT-UHFFFAOYSA-N 412.461 1.370 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1760253911 YVFLYKGDSJORDX-NRFANRHFSA-N 417.485 1.149 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(CC)C2CC2)CC1 1760268077 BQAJGVACPROWFU-UHFFFAOYSA-N 409.538 1.723 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1760275261 TXDDEJIOUJAINP-GFCCVEGCSA-N 407.512 1.490 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCS(C)(=O)=O 1760319504 OALLQFTUNCKZKE-WBVHZDCISA-N 405.524 1.802 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1760336641 FDONUFSMGGVNGQ-OAHLLOKOSA-N 409.556 1.641 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1760345083 FWNSAEKJBHCSEV-CYBMUJFWSA-N 416.511 1.512 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760345233 OTPRYJMTYBIESU-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)C 1760504386 YZWXAYONSISDKZ-UHFFFAOYSA-N 411.466 1.321 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760508426 BONHLFICMXXAFE-UHFFFAOYSA-N 423.521 1.466 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](n2cncn2)C1 1760520589 SONUQJNGUJEZIO-HNNXBMFYSA-N 410.457 1.819 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)CC1 1760521539 WIKGHMJUNHDNDJ-UHFFFAOYSA-N 421.505 1.731 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760527248 PXQSACKXZRETLC-FQEVSTJZSA-N 424.549 1.670 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760527249 PXQSACKXZRETLC-HXUWFJFHSA-N 424.549 1.670 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)C1 1760542019 CAQUPVSWYXTIGN-DLBZAZTESA-N 424.567 1.657 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)C1 1760542021 CAQUPVSWYXTIGN-IRXDYDNUSA-N 424.567 1.657 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)nc2)C1 1760544856 ILWBJGVQKAKSJX-SFHVURJKSA-N 408.510 1.969 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CCO1 1769240005 CLYADMUAYWSZOP-IBGZPJMESA-N 417.473 1.520 30 10 HDEE COCCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769722307 RQCVUCWAVAHVQC-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1770043498 HFKOYPYCQLKYOD-UKBAYJJMSA-N 418.542 1.604 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)cc1 1771531944 JMMGRCPOBWNGSZ-PKOBYXMFSA-N 424.505 1.572 30 10 HDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)ON1C(=O)c2ccccc2C1=O 1772790104 PPGDRTCVBBKDJM-UHFFFAOYSA-N 413.411 1.335 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)ON1C(=O)c3ccccc3C1=O)C2=O 1772792347 LLCKKMCFKWZQMA-GTJPDFRWSA-N 413.430 1.878 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)C1CCN(c2cc(C(F)(F)F)nc(C)n2)CC1 1851218759 SJRCLYLQOCIENR-UHFFFAOYSA-N 402.377 1.784 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCCCC3=NS(=O)(=O)C(F)(F)F)n2)cc1 1852072482 DAWRQBNJUCTMSB-UHFFFAOYSA-N 416.385 1.845 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1C 1853851120 GNBDUWWMLQXOBJ-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)ccn1 1853918676 DPOSZPMFKXJNPY-UHFFFAOYSA-N 420.397 1.046 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)Cc3nc(C4CC4)no3)C2=O)CC1=O 1854124310 XRCGHRCGCQJRAX-JKSUJKDBSA-N 415.494 1.321 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)Cc3ccccc3F)C2=O)C1 1854316471 AHQKGYMIAMASPF-IBGZPJMESA-N 408.433 1.916 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@@H]1C 1854751636 OWGIIZPYVJOVCM-INIZCTEOSA-N 405.520 1.720 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cnc4ccccc4n3)C(=O)C2)C1 1855008876 WOVNFXMFQKPXEW-SJORKVTESA-N 406.490 1.681 30 10 HDEE COCc1nc(CCN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)no1 1855272952 PDIQWPCNGBKKGW-UHFFFAOYSA-N 417.853 1.463 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)OC1=O 1855859543 TWFIDDRNQIBIPS-AWEZNQCLSA-N 413.402 1.627 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(c4nccn4C)CC3)CC2=O)CC1=O 1855900933 ZAJHDPOOTNBWQG-WMZOPIPTSA-N 413.522 1.009 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3c2OCCC3)CCN1CCOc1ccc(C#N)cc1 1855928644 LWWRMJNHKHRPRN-OAHLLOKOSA-N 409.446 1.289 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3ncc(C)c(=O)n32)C(=O)C12CCCC2 1856281572 KYXIMPAVFZSUPP-OAHLLOKOSA-N 402.520 1.758 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(CC)cc3)C2)CC1=O 1856792755 WNKWRLZCSSVKFM-HOTGVXAUSA-N 408.476 1.131 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CC1=O 1856932418 GYMBGXUSTBAEAR-GOSISDBHSA-N 400.479 1.456 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cncn1 1857250665 RPGGVESRHZAAAS-CVEARBPZSA-N 407.478 1.360 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc3c2OCCO3)C1)[C@H]1CCN(C)C1=O 1857263193 QICBNWCMHKGHFY-WBVHZDCISA-N 413.474 1.165 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)C(=O)C2)cc1 1857379626 ZWWJMTYYQHNMIR-GOSISDBHSA-N 406.442 1.606 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cs1 1890152688 PEFRCFXPDIXUEL-CQSZACIVSA-N 416.478 1.977 30 10 HDEE COc1ccccc1OCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1890201373 WJGOIDOLAWMCEJ-UHFFFAOYSA-N 415.534 1.332 30 10 HDEE Cc1csc(CNS(=O)(=O)N2CCOCC2)c1B1OC(C)(C)C(C)(C)O1 2157020371 PNBZJMWSKZGRKP-UHFFFAOYSA-N 402.347 1.022 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2168103442 RPUCICPEEZLGOP-OLZOCXBDSA-N 415.899 1.860 30 10 HDEE Cn1nc(CNC(=O)c2ccnc(C#N)c2)c(I)c1Cl 2174393362 UASWECRGZDPHFP-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE CN(C[C@@H]1CCCN1S(=O)(=O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C 2174782744 UMSSUKGUZHKRBS-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NCC1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2200869221 ZKJJAQWSIKZIPW-INIZCTEOSA-N 400.545 1.539 30 10 HDEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCN)c1 2229054481 POZOIMTWHMCFRX-UHFFFAOYSA-N 413.455 1.043 30 10 HDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247830375 ZBMIIGDGUBATPJ-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCC#CBr 2250003188 UWSRXCLBOQVKKF-ZDUSSCGKSA-N 404.305 1.514 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCC3(N)CC3)cc2Cl)OC1(C)C 2267351936 GUCQQEFAKIWTHQ-UHFFFAOYSA-N 406.766 1.860 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267469849 BEUIKOJQJPOWBO-XMMPIXPASA-N 407.388 1.235 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N=[S@@](C)(=O)N3CCOCC3)s2)OC1(C)C 2282205926 XZNMTPSSWNTBON-AREMUKBSSA-N 400.331 1.533 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](N)[C@@H]1C 2282304553 LXJRKNFAGGETEZ-WCQYABFASA-N 400.375 1.856 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNCC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282310040 OJQIRRJIYJSLDV-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(OCC(F)F)C3)s2)OC1(C)C 2282343686 GUOGHVDODNERMB-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CC1(C)CC(CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282346803 QNQNZEROIWRDFT-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@](C)(O)C2)c1B1OC(C)(C)C(C)(C)O1 2282417426 HXSOUFRLYMCJQL-KRWDZBQOSA-N 401.359 1.810 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282501729 AZIUDCLEZOFQHP-AVGNSLFASA-N 400.375 1.807 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2C(=O)NCCCS(N)(=O)=O)OC1(C)C 2282561459 KEIMDICGPFIPAN-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCCS(=O)(=O)C(F)F)c2)OC1(C)C 2282591495 QNPNBKLGEZLCDH-UHFFFAOYSA-N 409.285 1.805 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H]4C[C@H]3CS4(=O)=O)c2Cl)OC1(C)C 2282643005 VIHYLORVXUWOMD-VHSXEESVSA-N 417.745 1.712 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282669357 SDISBHZRZXLNOA-LBPRGKRZSA-N 417.383 1.607 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@@H](N)C1(C)C 2282833629 YNFLXYINNYFEDJ-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE CO[C@@H]1C=C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282837543 FNQJTGDCJKTMQO-NWDGAFQWSA-N 400.331 1.205 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@](F)(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282846902 QRHMMBXFGJRMQD-MRXNPFEDSA-N 405.322 1.451 30 10 HDEE CC1(CN)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282853616 GNSKAKCWSANCBQ-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE COC(=O)CN(C(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282864958 NLGHHTQAFYLMFG-UHFFFAOYSA-N 403.331 1.619 30 10 HDEE CC(C)CSCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282868078 IGGLPKLKZCBLAW-UHFFFAOYSA-N 403.379 1.387 30 10 HDEE C=C(CS(=O)(=O)N(C)CCS(=O)(=O)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282875265 MLXJMIHKHOQASW-UHFFFAOYSA-N 409.379 1.649 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284398958 DMQLATBYPDCTDE-JTQLQIEISA-N 403.331 1.825 30 10 HDEE C/C=C/C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400654 BIBAYTHHKOSHRD-NNNHXZLVSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2sccc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biogenic,in-vitro N#C[C@@H]1C(=O)Nc2nc(NC[C@@H]3CCCO3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472655 HKUVCDLCUCLOCY-HEHGZKQESA-N 423.429 1.356 30 10 HDEE CN(C)[C@H]1CCN(CCCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1 77541928 SWLMTVMZOWLFGX-IBGZPJMESA-N 412.538 1.770 30 10 HDEE Cc1cc(Br)c(S(=O)(=O)NCC/C(N)=N/O)cc1Br 158630406 XFXDPUVYGMKRDB-UHFFFAOYSA-N 415.107 1.935 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N[C@H]2CC[C@H](Oc3ccc(C#N)cn3)CC2)CC1 238817594 BVPLFRBBYWVPAR-QAQDUYKDSA-N 406.508 1.431 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 303496685 QUFKSLMBDSIAPO-MRXNPFEDSA-N 413.503 1.544 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1 382045907 KQJODQVAVDYFBU-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 429556030 XUBXCALXCHMGLF-UHFFFAOYSA-N 414.441 1.984 30 10 HDEE N#CC1CCC(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 440987545 PRHNIUYBPQEHMK-UHFFFAOYSA-N 420.535 1.837 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1cnn(-c2ncccc2C#N)c1 462092686 MOSDVOCPIZIAQF-WCVJEAGWSA-N 424.417 1.096 30 10 HDEE Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)CCO3)cc1S(=O)(=O)NCC#N 472170160 HRZIOIOKADEAIB-UHFFFAOYSA-N 400.460 1.878 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCN2CC=C(C)CC2)c(C#N)cn1CCOC 481356654 CUMPLRLDFHGLIR-UHFFFAOYSA-N 403.483 1.956 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 482652496 CKVPYZQNQYTYAH-ZDUSSCGKSA-N 422.429 1.997 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2cccc(C(=O)N3CCOCC3)c2)ccc1F 488971861 KZHRGURYUJQSOG-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1C#N 489625696 UMOVNJRKLHWRRY-UHFFFAOYSA-N 418.426 1.643 30 10 HDEE Cc1ncc(S(=O)(=O)N(C)CCN2CCN(Cc3ccccc3)CC2)cc1C#N 489889922 QJXPAAFMWPXECT-UHFFFAOYSA-N 413.547 1.700 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 508809180 KIIPUTAUKLUUKW-NVXWUHKLSA-N 421.523 1.359 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCOC2)CC1 514826718 HCIURFUFACMWFT-QGZVFWFLSA-N 416.489 1.970 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)C3CCC3)c2)CC1 522308115 ZDDUDXWNEPCAEX-UHFFFAOYSA-N 413.522 1.555 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[C@@H](NC(N)=O)C2)cc1 536484551 DKAAKFJQXXZVSG-OAHLLOKOSA-N 410.478 1.656 30 10 HDEE N#Cc1cccc(N2CCN(CCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 544881127 BAKFVPGNASXXEX-UHFFFAOYSA-N 401.448 1.457 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Nc1cnn(CC(=O)NC2CC2)c1 545123404 GDJVAGZMCLOTGL-HNNXBMFYSA-N 410.478 1.918 30 10 HDEE C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546919327 QSCGOBBHPPAPAD-PKOBYXMFSA-N 421.501 1.762 30 10 HDEE C=C(C)[C@@H](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)OCC 559240420 JASFHGQHVPQIDR-YLJYHZDGSA-N 417.554 1.321 30 10 HDEE C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)cc1 578416705 QWGIEVXDFVYTSZ-CQSZACIVSA-N 416.521 1.880 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1 578701087 VVTBTUJXVZEYKZ-UHFFFAOYSA-N 404.430 1.703 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 609287385 GTWXMCQLNCKJTJ-IPMKNSEASA-N 417.531 1.626 30 10 HDEE COC(=O)[C@]1(NCC(=O)N[C@](C)(C#N)C(C)C)CCCN(Cc2ccccc2)C1 611266049 VBJKIXNDTRKBOB-YADHBBJMSA-N 400.523 1.838 30 10 HDEE COc1ccc(Cn2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)cc1 729672024 UCAOUPXGBHPHGS-UHFFFAOYSA-N 413.462 1.641 30 10 HDEE COCCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732706791 RIUNSKZECFMVMH-HNNXBMFYSA-N 406.870 1.502 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCOCC2)c(F)c1 746132878 BQJYCOPGBSPUHU-VXPUYCOJSA-N 402.426 1.195 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)C(C)C)ccc1F)[C@@H]1CCS(=O)(=O)C1 746151552 JEELHTNKJZLHKK-CYBMUJFWSA-N 401.481 1.270 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 746618591 AKCSKXGCBWHBGE-ZDUSSCGKSA-N 405.457 1.538 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750424753 FHIIEBXXJQYMIM-INIZCTEOSA-N 421.255 1.636 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 752302227 DIWNXALPEJJNNF-UHFFFAOYSA-N 417.531 1.767 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(C#N)c1 754313480 BRCRAWMUJZHNDV-CYBMUJFWSA-N 417.306 1.132 30 10 HDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757243689 YYNFGQGXPYFUOG-UXHICEINSA-N 422.437 1.479 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)cc1 760986528 CXHCPVANYNIWRH-OAHLLOKOSA-N 409.471 1.670 30 10 HDEE CCOC(=O)CN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 768603291 HLLPYGSOGVCIEO-CYBMUJFWSA-N 407.492 1.448 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC[C@H](O)C(F)(F)F)cc1 768971493 ZWHCTQMFCWMKRO-MDUHSQENSA-N 422.429 1.934 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[C@H]1CCS(=O)(=O)C1 774025958 QWKNTUYVOPJYRJ-INIZCTEOSA-N 419.503 1.728 30 10 HDEE C#CCN(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 774217418 FPWFVHONDAWJQE-CABCVRRESA-N 401.529 1.368 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780855456 KXGBBJSVAGSPKJ-JOCHJYFZSA-N 406.486 1.937 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 781050398 XKUKCFGXMMNWOT-DSGGYQJVSA-N 424.436 1.432 30 10 HDEE COC(=O)C1=C(C(C)=O)[C@@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783922168 FSTQBOYALUXCCD-LBPRGKRZSA-N 411.256 1.675 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)n1 789115192 QYFLQGXTIWUCMP-RTWAWAEBSA-N 417.554 1.442 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2c(S)nc3ccccc3c2=O)CC1 789890701 JVEDIZAXNRMBFC-UHFFFAOYSA-N 406.471 1.301 30 10 HDEE C#C[C@@H](NC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@H]1CCCO1 793934788 AZSCRCQNHHXTJB-UYAOXDASSA-N 414.502 1.465 30 10 HDEE Cc1c(Br)ccc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c1C 798834215 WNWAMAXDENJTOC-SNVBAGLBSA-N 412.269 1.595 30 10 HDEE C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N1CCN(c2ncccn2)CC1 803921707 HBYUFJDQJYUOOO-OAHLLOKOSA-N 423.448 1.799 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 806307722 TUUSHCMIILNIQM-UHFFFAOYSA-N 423.332 1.945 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C1 809861048 LMHAIQCLPOYJRJ-CRAIPNDOSA-N 418.560 1.576 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 810585692 DQUWNLBPEAXDKB-OAHLLOKOSA-N 411.455 1.877 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(C#N)c(OC)c2)n(C)c1 810864880 JKPKLZSRVSCVGI-UHFFFAOYSA-N 404.492 1.866 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812046683 OHGYLARVIJQNKV-KRWDZBQOSA-N 403.508 1.119 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 849549334 TWOQJTMMIPUIFJ-FCHUYYIVSA-N 421.545 1.995 30 10 HDEE COCCn1c(C)cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1C 917355305 FMCXNBPGOFGIEM-SFHVURJKSA-N 412.515 1.180 30 10 HDEE NC(=NN=Cc1cc(Br)c(O)c(Br)c1)c1nonc1N 1083901421 ODXGWKQCSVHDAE-UHFFFAOYSA-N 404.022 1.622 30 10 HDEE N#Cc1cc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cnc1C(F)(F)F 1130019377 QRQOHIMBMNCJOV-GFCCVEGCSA-N 411.361 1.937 30 10 HDEE C=CC1(CC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 1152753147 QUCGMQXWZZXBIQ-AWEZNQCLSA-N 401.529 1.292 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H]1CCCN(C(=O)OCC)C1)c1cc[nH]n1 1154769670 QULROVPTWAGHCA-KBPBESRZSA-N 423.470 1.067 30 10 HDEE C#CCN(C(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C1CCN(C)CC1 1156646364 FMIVPRBJQSMHPW-AWEZNQCLSA-N 412.943 1.348 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4nc(N(C)C)n[nH]4)CC3)cc2C1=O 1157683361 UILNAWQREYFALT-UHFFFAOYSA-N 408.462 1.673 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1OC 1161017245 SXXAGTUUHJNCTG-ZFWWWQNUSA-N 422.503 1.843 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](Nc3ncccn3)C2)CC1 1176808969 XEIVPGHFKXCSPY-WOJBJXKFSA-N 423.496 1.511 30 10 HDEE C#CC1(O)CCN(C(=O)CSc2nnc3n(CC=C)c(=O)c4ccccc4n23)CC1 1184041627 OWHSRPVQLKEGMB-UHFFFAOYSA-N 423.498 1.309 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cc(Cl)ccc2N2CCOCC2)c(=O)nc1O 1214399359 IFVQDCKPRASIMV-UHFFFAOYSA-N 418.841 1.132 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)n1 1252478992 GXNXFPAJMZQWIC-GOSISDBHSA-N 424.571 1.003 30 10 HDEE C#C[C@H](NC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CCOCC1 1253349240 ZVDHYBFEBIVVAQ-WLSWZUKCSA-N 414.487 1.846 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1286297138 UXQROJDPUHQRMJ-GRDNDAEWSA-N 424.461 1.237 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(COC)CCOCC1 1286362741 FGGSMSIJOOCYFP-NRFANRHFSA-N 406.527 1.831 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286392646 JDIIFLWUQUOJMP-GJZGRUSLSA-N 421.548 1.222 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCN1CCCO 1286404310 RWGMXLKYGPRDEG-FQEVSTJZSA-N 407.518 1.873 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCC1(O)CCOCC1 1286463503 PNLHBGVQZPXHHX-UHFFFAOYSA-N 414.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286480654 OOMNPBFOTFJTLB-FQEVSTJZSA-N 423.565 1.827 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C)C1 1286561619 CDODBALSKLOAEU-YZLZLFLDSA-N 403.527 1.995 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286614654 VXULWIWIAOJHML-HXUWFJFHSA-N 407.515 1.190 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCOCC1)C1CC1 1286737043 JQQKIOJRNWIYQV-KRWDZBQOSA-N 402.543 1.524 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1286757355 MEHFESDSZAKONL-KRWDZBQOSA-N 421.567 1.223 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(-n2cncn2)nc1 1286767261 LZTPBHNALAYZAQ-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OC 1287782423 UREYVAJLFQMUTL-ROUUACIJSA-N 408.520 1.852 30 10 HDEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1293029933 UDNAQPWXZYSCGL-SFHVURJKSA-N 416.551 1.720 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cccc(C#N)c1Br 1295048128 PQKHCRZEKZGGEY-AAEUAGOBSA-N 400.298 1.768 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300495195 FHESOPXOSAFOPV-ABSDTBQOSA-N 424.567 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1cnnn1C 1300569953 VURXNMJPYJPXER-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCCO[C@@H](C)C1 1300575533 YAJWPZWXMZSTDC-IBGZPJMESA-N 407.522 1.699 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1300631980 ZHJMIGAYEOHXCB-SJORKVTESA-N 407.584 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1300813096 ADZATEDUUWWCBY-OXJNMPFZSA-N 419.551 1.217 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(N)=O)C1 1300869646 NJLWJSDWTCVHAJ-HZMVEIRTSA-N 407.515 1.295 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCCO2)CC1 1301086759 OVYRPLOEFVZLDB-ROUUACIJSA-N 424.567 1.922 30 10 HDEE COC(=O)N[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1303507216 YCZSWVYFKIGISN-FEDUSRTKSA-N 406.483 1.730 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O 1309045967 AFVXZTCCRXJOAX-UHFFFAOYSA-N 415.581 1.465 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)CCOCC1 1309662540 YUPMRBKDKSGQDV-UHFFFAOYSA-N 422.594 1.634 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCC1 1312885471 XLUOBCKVQWQKMC-UHFFFAOYSA-N 407.452 1.305 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN(CC)C2CC2)CCOC1 1314110724 AJGOISBABKSNKN-PMACEKPBSA-N 406.506 1.856 30 10 HDEE CC[S@](=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1314567797 BXZGWFWGUPLHQZ-LJAQVGFWSA-N 415.567 1.838 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1325298810 HCNBFBXYPFJNED-KRWDZBQOSA-N 423.535 1.250 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Cc3ccncc3)C(=O)OC)cc2C1=O 1327587850 SWDXDCSPTGQQOH-MRXNPFEDSA-N 407.426 1.625 30 10 HDEE COC(=O)c1cccn(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1=O 1352249519 IBRPCRJOWITPJV-UHFFFAOYSA-N 422.441 1.384 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1358894399 NVLNDERKAALYGE-MRXNPFEDSA-N 406.490 1.667 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1358910100 CWGKWLWDTMTCBB-KRWDZBQOSA-N 422.537 1.328 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1358913406 NLVCOQVTHFTZSG-KRWDZBQOSA-N 407.540 1.571 30 10 HDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358916820 YGBOCFYMQNTPNG-GOSISDBHSA-N 419.489 1.746 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1358920394 YFBSRTGOJITHOW-HZPDHXFCSA-N 418.523 1.354 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC)c1)[C@H]1CCS(=O)(=O)C1 1358963114 BVIVEUXWMNVCQS-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1358965592 XNLFOTNVSZWHTN-INIZCTEOSA-N 423.489 1.936 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1358999345 OBBSSMYCBJEYRS-UHFFFAOYSA-N 402.499 1.452 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC(F)(F)C2)CC1 1359040339 PZWVHSYUVTVGDX-UHFFFAOYSA-N 422.480 1.427 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359051859 LXSIIPDTHKJARH-QGZVFWFLSA-N 407.503 1.397 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCS(C)(=O)=O 1359052456 GAEIJBRGCJESCQ-UHFFFAOYSA-N 413.956 1.841 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359299791 NOCQCFBIDIBSFF-DOTOQJQBSA-N 413.526 1.722 30 10 HDEE COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)c1ccnn1C 1437068108 PRWVAEKSTZTEBX-PXAZEXFGSA-N 415.837 1.329 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc(S)n3C)CC2)c1 1443538367 DGWYENPHCUPJHN-UHFFFAOYSA-N 418.544 1.921 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC[C@H]2CC(=O)OC)s1 1444692798 XDPMYXYLTZSUHH-GFCCVEGCSA-N 418.562 1.262 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1 1450275632 YUMURDFYYVESRP-HNNXBMFYSA-N 405.838 1.691 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CSc1nnnn1CC(F)(F)F 1452944832 BOIBIPNNAVGOBP-GFCCVEGCSA-N 400.386 1.391 30 10 HDEE Cc1ccc([C@](O)(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C(F)(F)F)o1 1454631109 DTZWXJHXBQDCQG-MRXNPFEDSA-N 413.356 1.798 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2c(C(F)(F)F)[nH]c3ccccc23)C1=O 1454635006 XOFPGOIOCBAFRS-UHFFFAOYSA-N 422.363 1.822 30 10 HDEE Cn1c(NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 1458488242 WAVWLKBBNMNYBW-LJQANCHMSA-N 415.453 1.765 30 10 HDEE CN(CCC#N)C(=O)CCN1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1459992313 IBRSQSINJDGRIG-KRWDZBQOSA-N 423.558 1.634 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1 1461979146 FHYFANSSJSEWFG-HNNXBMFYSA-N 420.425 1.437 30 10 HDEE CSc1ccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1C#N 1462752535 UVCKQHOMHUFCDE-UHFFFAOYSA-N 420.494 1.968 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(COC)no3)CC2)cc1 1463542556 IDGPGGAZIURSPK-UHFFFAOYSA-N 406.508 1.841 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)c(=O)nc1O 1465933072 GVYADQQZKOYYRY-GFCCVEGCSA-N 409.229 1.807 30 10 HDEE C#Cc1ccc(CNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)cc1 1466123485 ZEUWZPFRPSFOIA-UHFFFAOYSA-N 419.441 1.870 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1467850415 SWDCQXFUNWIQHP-RDJZCZTQSA-N 410.515 1.394 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 1469609979 ITIZYESEQDEAGV-PMACEKPBSA-N 410.518 1.145 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCC2(C1)OCCO2 1470339019 OYVCHTWGBDRMEC-CQSZACIVSA-N 403.907 1.587 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cccc(S(=O)(=O)NCC)c2)n1 1470459586 DRLXCKRIOPXWEY-UHFFFAOYSA-N 403.508 1.546 30 10 HDEE CCOc1ccc(-c2nnc(S)n2CCC(=O)N2CC[C@@](O)(CC#N)C2)cc1 1472581332 CGSXICOYGBVMFW-IBGZPJMESA-N 401.492 1.900 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 1475533548 DNGQSYKTRWXMJV-GOSISDBHSA-N 421.563 1.866 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2ccsc2C#N)CC1 1478277660 ZZHGTUIUPWACLJ-ZDUSSCGKSA-N 411.553 1.593 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CO)CCc3ccccc3)C2=O)cc1 1478569352 WGJVFFPCIDYDDB-SFTDATJTSA-N 406.486 1.952 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1NC(=O)CC1(C)C 1503462274 PPIANZBGIZLIHM-DLBZAZTESA-N 421.505 1.652 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1503462282 PPIANZBGIZLIHM-SJORKVTESA-N 421.505 1.652 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504697778 RAMLDFICMKJUTP-HMWBCQRISA-N 411.466 1.272 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCC1 1504888713 ZETRODVDEHYHGI-SJORKVTESA-N 407.540 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1507538118 KKKKOAINLDXYRS-LPHOPBHVSA-N 415.563 1.748 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2CCN(C(C)=O)CC2)c1 1507550419 ZLGFSBNXLOAJQU-UHFFFAOYSA-N 408.506 1.901 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507553258 ZHWFMCYJDDVADC-INIZCTEOSA-N 402.499 1.595 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@H](C)C1 1507636378 FEQATTCOZSAUHI-SFHVURJKSA-N 405.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1507641167 ACPYHEJOXOFCIQ-JOCHJYFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1507694675 PWTLICZXPOVCPY-UHFFFAOYSA-N 407.540 1.217 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(C)[C@H](C)CC)CC1 1507721293 ZWDCGVMDLKJMAD-KNQAVFIVSA-N 418.586 1.416 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1507829890 NRAJDECGFJFBDD-QGZVFWFLSA-N 410.478 1.473 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1507973870 PCYZVWDSIPTNQG-UHFFFAOYSA-N 417.477 1.598 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C 1507998791 DYCXXKGVLXSJCF-KRWDZBQOSA-N 407.478 1.382 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOC(C)(C)[C@H]1C 1508083733 BISBZMXYDDFUMN-CYBMUJFWSA-N 404.540 1.940 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1515395349 TVQKINZSPJDWJO-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1531087169 BDMASGPOEOINPP-GOSISDBHSA-N 409.490 1.621 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@]2(C3CCCC3)CCNC2=O)c(C#N)cn1CCOC 1533738248 IHFNXQAHTWLDDB-OAQYLSRUSA-N 416.478 1.818 30 10 HDEE C#CCCCn1c(N2CCO[C@H](COC(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1539141510 VHFZBXRQKDTXTC-GHTZIAJQSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539147760 JUYKLPYBUBUPCG-FQEVSTJZSA-N 414.531 1.367 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539201459 ADWGZPPOHULIDX-KRWDZBQOSA-N 421.567 1.431 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539218569 AOXNIEDUVLLDQQ-MSOLQXFVSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(C)CN(C)C1=O 1539273064 JARAGFFDAJZOSH-QHCPKHFHSA-N 405.502 1.623 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CC1 1539427938 KCOCVODPRDAXOQ-UHFFFAOYSA-N 422.537 1.167 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 1539557092 LIRROAQLWOTQKZ-WAOWUJCRSA-N 419.595 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)=O)CC1 1539632092 OYMGMSFHPDGYFJ-FHWLQOOXSA-N 403.527 1.822 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCN(C)C1 1539659336 SIWQFPUBXCNGBB-NRFANRHFSA-N 423.525 1.390 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)CN(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1540610707 KDIQSKCXPNQCGA-UHFFFAOYSA-N 415.343 1.140 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1540858081 GISZGPOKWZAOPW-QGZVFWFLSA-N 423.514 1.963 30 10 HDEE C=CCSCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1540922488 PGPYIWNWNKPWGD-LJQANCHMSA-N 409.556 1.551 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)c1 1544507864 AHVYUFRFPSBHHQ-ZWKOTPCHSA-N 411.545 1.911 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)c1 1557720773 DGACMSGWOXWHST-PKOBYXMFSA-N 405.376 1.992 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1560206954 HAHSCJHUNGMPBA-OAHLLOKOSA-N 413.927 1.950 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CC[C@](O)(CC#N)C1)Cc1ccc(C(F)(F)F)cc1 1565017295 IDYUVFLYERKXAX-KBXCAEBGSA-N 412.412 1.670 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CC[C@@](O)(CC#N)C1)Cc1ccc(C(F)(F)F)cc1 1565017297 IDYUVFLYERKXAX-KSSFIOAISA-N 412.412 1.670 30 10 HDEE C#CCN1CCCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1565815868 VLGXKAIGCFNTTJ-UHFFFAOYSA-N 404.515 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCn1cnc(C#N)n1 1568735604 AHESLSOYCNNEDY-SFHVURJKSA-N 421.461 1.672 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1570219088 RTCCFSYLHZOLIO-MNOVXSKESA-N 404.897 1.236 30 10 HDEE C=CCOCC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1570326966 YMXOYYAEJJAIRY-IAGOWNOFSA-N 422.526 1.583 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3n[nH]cc3I)CC2=O)cc1 1585208780 FVYYMSKWLVXQFI-JTQLQIEISA-N 421.198 1.878 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)c1 1585628483 XLXNOPOOVJRUMA-CYBMUJFWSA-N 404.345 1.853 30 10 HDEE N#Cc1nc(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Br 1585750155 MNAOGQUFLSUVKO-DMAMZFHHSA-N 401.220 1.461 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1 1586552728 SUXGOJOXILGGRS-PMACEKPBSA-N 416.547 1.248 30 10 HDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1587926642 BWDSYOOMCKUPCC-UHFFFAOYSA-N 405.235 1.488 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1587988996 DVHXMKOXOGTACF-KRWDZBQOSA-N 421.498 1.062 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1 1588199643 VVLJBKXIZMLFFR-UHFFFAOYSA-N 416.478 1.477 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1588976196 RHXBSWQVRSGOSL-MSOLQXFVSA-N 418.611 1.901 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1588976198 RHXBSWQVRSGOSL-ROUUACIJSA-N 418.611 1.901 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(=O)NC)C1 1595496940 LVGJMTCUIQPTPA-MRXNPFEDSA-N 422.489 1.956 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1595583864 HPPYSDLVHXITTI-CQSZACIVSA-N 411.380 1.969 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cc[nH]n2)C1 1595713994 JSDAXOKWKHRNDC-INIZCTEOSA-N 422.493 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CCCC1 1595753881 JKWYHCZOQOQBII-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)Nc1cccc(Cl)c1 1595760022 JTONBZHVNDQQJN-UHFFFAOYSA-N 411.915 1.916 30 10 HDEE CC(C)(C)OC(=O)COc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1611165103 LQAUKZIDFKWJLQ-YWZLYKJASA-N 420.487 1.417 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)c1 1611197871 VJLIVRIHBOWEKE-QGZVFWFLSA-N 401.419 1.436 30 10 HDEE CC[C@H](Sc1nc(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)cs1)C(N)=O 1611533505 PRMVGNXVXMLOMF-AWEZNQCLSA-N 409.533 1.906 30 10 HDEE Cc1ccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1611977882 GRNGJYLHNUSUKW-OAQYLSRUSA-N 422.468 1.859 30 10 HDEE O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cccc(C#CCO)c1 1618241844 WIKQSEVPHLRGLY-UHFFFAOYSA-N 418.446 1.443 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1619904091 ACYCLWRKQAJPOI-CABCVRRESA-N 423.535 1.177 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCSC1 1620018958 IULYHBKICXQCPI-SOLBZPMBSA-N 420.583 1.932 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1620050823 JQOGGWSFYBLBEF-MRXNPFEDSA-N 414.466 1.269 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 1621669256 PIYPMBIBKKCYPV-UHFFFAOYSA-N 415.496 1.841 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCCC(=O)N3)CC1 1622067196 DRKZNKSYPFFBLQ-UHFFFAOYSA-N 423.922 1.765 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2C(=O)OC)nn1 1622265344 NWLZRZZACAXLKI-UHFFFAOYSA-N 415.269 1.492 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1626656232 VMSXNCMMUCFWEA-RYGJVYDSSA-N 421.519 1.176 30 10 HDEE C=CCN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1627255824 OXJIKTPWKVDUIG-DTZQCDIJSA-N 413.440 1.739 30 10 HDEE O=C(CCS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CCCN(O)C1=O 1628548282 TZQLBELLENPHDU-GFCCVEGCSA-N 405.270 1.109 30 10 HDEE C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CN1CCOCC1 1629894797 GJLWGMXPZKZLNX-ZBFHGGJFSA-N 404.898 1.649 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@H](Cc2ccccc2)C1 1631638311 MPDJFCQGNQBNDZ-QFBILLFUSA-N 412.515 1.268 30 10 HDEE N#Cc1ccc(OCC(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1Br 1631838868 NPKOGIXWOMMISV-AWEZNQCLSA-N 423.311 1.403 30 10 HDEE CO[C@@H]1CCC[C@@H]([C@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1632688529 SZSSQKDZIGYXQL-NUJGCVRESA-N 409.508 1.174 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCN(C(N)=O)C1 1632807310 UEEPFWPIYJFRFD-RDJZCZTQSA-N 413.478 1.662 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C 1632920574 DWKSBNFSMYMGIK-JKSUJKDBSA-N 410.515 1.669 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1633981672 NPBDHPXUEWJULQ-LOKFHWFJSA-N 401.533 1.699 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2=O)cc1 1635976629 LIHDUIHJQWCPLW-RRIMADAKSA-N 411.389 1.915 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 1636627611 OYTQOPUQWJKDSG-KRWDZBQOSA-N 423.535 1.405 30 10 HDEE C=C(CC)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1638020303 LESMUMWQYBGJBO-OAHLLOKOSA-N 422.956 1.504 30 10 HDEE C=CCOc1ccc(CC(=O)NCC(=O)Nc2cccc3c(O)nnc(O)c23)cc1 1638236680 KKFHOMGTCQBXTA-UHFFFAOYSA-N 408.414 1.903 30 10 HDEE COCc1ccc([C@@H]2COCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)o1 1638855609 QGKSFZYSALNGPI-SFHVURJKSA-N 418.471 1.813 30 10 HDEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1639174900 DGLLPUFUAHCCEB-SGTLLEGYSA-N 406.464 1.439 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1639869561 NTGRKTACINFJRO-HNNXBMFYSA-N 422.507 1.955 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3c(F)cccc3Cl)C2)C1=O 1639880983 SRNQLTGFTUGAQW-CYBMUJFWSA-N 409.801 1.356 30 10 HDEE C#CCn1cc(CNC(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)cn1 1640012682 GZMJHKIMNYLSNF-UHFFFAOYSA-N 403.398 1.752 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 1640208689 TVOTUKCGIZBAMD-SLQAJWMNSA-N 419.503 1.842 30 10 HDEE C[C@H](CC(=O)N[C@@H]1C[C@@H](N(C)C)C12CCC2)/N=C1/NS(=O)(=O)c2ccccc21 1641448682 JMLAQLUNYAWNNC-KBRIMQKVSA-N 404.536 1.493 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1641595744 DXUCZLXSZFVPFV-OAHLLOKOSA-N 414.528 1.210 30 10 HDEE COc1ccc([C@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C2CC2)cc1 1644636428 BWNKHQXFBQEGJC-DBVUQKKJSA-N 403.504 1.133 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2CCOC[C@@]2(CO)C1 1644676771 MXACQMGCRZLNDT-BTYIYWSLSA-N 418.563 1.595 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](C(F)(F)F)CC1 1644820960 AXWVVIMCJHGIBQ-BXUZGUMPSA-N 405.398 1.405 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1c2ccccc2CC[C@H]1O 1647730874 UBSHGEBZZMMGPU-XLIONFOSSA-N 413.499 1.670 30 10 HDEE Cn1cc([C@H]2CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)nn1 1648592096 VZQWWLJUEILVSQ-WMZOPIPTSA-N 413.551 1.465 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 1654133660 GFMPEQISAOGWPY-UHFFFAOYSA-N 423.538 1.954 30 10 HDEE C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688753 FHVCXDCMUNBYBS-LAUBAEHRSA-N 419.526 1.743 30 10 HDEE CNC(=O)CN1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1655645087 OJPFWXCZXUDBIY-HNNXBMFYSA-N 417.579 1.969 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2c(C)nn3cc(Br)cnc23)cn1 1655958568 OLSVPHHVBXJSSZ-UHFFFAOYSA-N 409.269 1.108 30 10 HDEE COC(=O)C[C@@]1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1 1662682408 HLCRPGOVAGMOKM-AWEZNQCLSA-N 421.244 1.460 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(CC(F)F)C2)cc1 1667956193 KXTPJZXYVCVADU-AWEZNQCLSA-N 402.467 1.954 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 1668671165 PWLVSGXCXQGBPA-CYBMUJFWSA-N 413.569 1.296 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(C(=O)OC)cc2OCCOC)CC1 1674238705 MQTRSRUIXAFQMA-UHFFFAOYSA-N 417.462 1.492 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC(C)(C)C)cc2)CC1 1677450806 DCMVZBOYUUEBRJ-UHFFFAOYSA-N 408.524 1.159 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1678990968 GJGPEXNOGOIGSG-GOSISDBHSA-N 404.536 1.320 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 1680989548 DMMKLIIEULHMJG-UHFFFAOYSA-N 410.478 1.347 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1681433076 BVVUBOWTNAISPF-ODCFSMADSA-N 406.483 1.873 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)C(C)C 1683074266 NTMACQCGYRGDDH-ZDUSSCGKSA-N 413.263 1.571 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](O)COc2ccccc2Br)C1 1685267215 UIVFACRLPSPQQY-HUUCEWRRSA-N 410.312 1.586 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1689863405 SXSIBZHOOHDJLV-MSOLQXFVSA-N 408.506 1.907 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690015585 RJWHJEWABAGLDE-HZPDHXFCSA-N 414.510 1.557 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1 1690032487 CBVFXBCBGWREPR-ZWKOTPCHSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1690040742 MROZKZYDZGOXJT-UHFFFAOYSA-N 418.545 1.881 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1690188322 HLWZLIXOASQDFR-JOCHJYFZSA-N 408.506 1.562 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690503625 IPDVDBQXDKLVRN-OAHLLOKOSA-N 400.458 1.891 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CN(CC(C)C)CCO1 1690523486 BUFKYVVNIWCVQU-INIZCTEOSA-N 416.526 1.985 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1690643492 CKVOLELOJGCCEU-QZTJIDSGSA-N 420.558 1.021 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690740254 OPXXDDSBXHIXTD-GOSISDBHSA-N 403.512 1.629 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCCO1 1693845045 COZQGIDCUKTUJT-JXXFODFXSA-N 419.505 1.172 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1694212096 FRPAMSUQKXHBHK-OAHLLOKOSA-N 423.521 1.823 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1695392709 HLMYZPQMEVLZMQ-HNNXBMFYSA-N 418.523 1.609 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1696874819 RJBGQMNKHGEZAB-WOJBJXKFSA-N 400.433 1.928 30 10 HDEE CNC(=O)c1cccc(CCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)c1 1696932560 AFXKMFGDBJYVPF-GOSISDBHSA-N 417.473 1.671 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705516469 CDHKQEFOVOKSEH-QZTJIDSGSA-N 423.583 1.693 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(N2CCOCC2)CC1 1705547607 JRFCVOWSUWUARU-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1705551015 DZSRVJWHBRIDRR-INIZCTEOSA-N 423.926 1.382 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(N(C)C)CCSC1 1705585059 JHJZHXMCTGZQLU-OAQYLSRUSA-N 411.579 1.650 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1705740768 WIGFYLZFTOBGLH-UZLBHIALSA-N 407.515 1.225 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1705828697 VWLUBVYQZJWTNL-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1705855277 ABXHBWQTGANBOR-MRCUWXFGSA-N 419.489 1.945 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705899438 SKDCNUVXSNVYEW-FQEVSTJZSA-N 423.565 1.464 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)S[C@H](C)C1 1705909343 ULVUCRRULXXVFO-AIANPOQGSA-N 409.556 1.635 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)n1 1707832774 HERPFJHBFNOYKJ-DYESRHJHSA-N 413.526 1.810 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C(C)(C)C2)CCOCC1 1718313648 OXIPZICMBSJRKG-QWFUGVESSA-N 400.519 1.583 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722345011 ACMKBVHDYVVQBW-OAHLLOKOSA-N 412.450 1.418 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@@H]1C 1722370168 IDEFLEURCGHZIE-WZONZLPQSA-N 421.501 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCc1nccnc1C 1722427033 KIIRZRLSICDVDK-UHFFFAOYSA-N 408.510 1.567 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)NC(C)C)CC1 1722435452 ILWKADNFVRCIRA-UHFFFAOYSA-N 410.522 1.624 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCCNC(C)=O)CC1 1722437873 KTNPEPXGOKIQNZ-UHFFFAOYSA-N 419.533 1.718 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCC2(O)CCC2)CC1 1722445944 GMIWQQIQFUCIAZ-UHFFFAOYSA-N 408.506 1.611 30 10 HDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1722578912 COMXLDXUNMYZAM-KSSFIOAISA-N 406.962 1.972 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1722630569 JRBGRYOIYNJOJE-CQSZACIVSA-N 400.474 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(C)C)C1 1722725167 LBMLUIFIMDIGSU-MRXNPFEDSA-N 409.556 1.597 30 10 HDEE CCN1CCN(CCCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1728632636 DBTSVCIRRDJTOB-UHFFFAOYSA-N 410.526 1.149 30 10 HDEE COCC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1730510444 ABEZUOGQFVBSNF-LJQANCHMSA-N 408.478 1.301 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCCC 1740599857 GLXNYLMFLRAZDV-SJORKVTESA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1740669568 CRXYJACRSFLEHL-IAGOWNOFSA-N 411.497 1.988 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1740763056 YAPPMHDVPMXQCB-AYBZRNKSSA-N 416.526 1.315 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1740889042 XZUVVPOXVKIJNX-KRWDZBQOSA-N 411.572 1.303 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1740890040 RBBZTYMAIHLJRE-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@@H]1CC 1740947199 RSJGZWORXBQNPH-HOTGVXAUSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)NC)CC1 1740962878 RBGXSOJCLLEOHS-UHFFFAOYSA-N 402.524 1.195 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1741001094 KWVQXVUSZPHJGM-HUUCEWRRSA-N 404.540 1.350 30 10 HDEE Cc1cccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742333794 GIXGATQFJSNHJW-ZPHPHTNESA-N 409.450 1.012 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1746963404 OBIKIDKWOHWZCB-DPSCBSAHSA-N 421.542 1.987 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1748486896 HROVYZLCDLRWMZ-OAQYLSRUSA-N 413.478 1.759 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1748745370 LLXVSQVQTNJILW-GHTZIAJQSA-N 421.549 1.742 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1748825855 GZZRERSRYARSRL-GJZGRUSLSA-N 409.581 1.493 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1749159054 NXRNCRUFQOBWJI-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1749268690 FMTBFDSCXUVSOB-HZPDHXFCSA-N 409.918 1.752 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1749460698 FSTDHWHLPNMPBA-UHFFFAOYSA-N 410.478 1.600 30 10 HDEE C=CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1749516695 CKQXXHDODMFHBT-LJQANCHMSA-N 402.543 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H]1c1nncn1C 1749666664 PHIRRWSOEBYRKP-INIZCTEOSA-N 407.482 1.421 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760268753 XLXGERMXAZPFCE-PKOBYXMFSA-N 424.549 1.801 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760427986 MTEJUYJUTXGLIR-QGZVFWFLSA-N 411.572 1.904 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1760483796 CCDYSZVBRZQCQT-UHFFFAOYSA-N 400.512 1.847 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760527366 UKBLJQUPSKURCP-IAGOWNOFSA-N 413.522 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760552504 QFYHTSHZPVCCIT-FUHWJXTLSA-N 419.551 1.890 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(Cl)cc1F 1761237729 ACAZXICTEIVEGW-CQSZACIVSA-N 406.849 1.986 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1766986579 ZKFJFNLZMBSNEK-VXPUYCOJSA-N 407.478 1.779 30 10 HDEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1767328533 HAQQAIMKBXASML-KRWDZBQOSA-N 412.494 1.583 30 10 HDEE CCOCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1768076538 BLKDMJQWFJIIPG-OAHLLOKOSA-N 418.523 1.815 30 10 HDEE CO[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768131008 BOUKCQQBRRLGPC-QZTJIDSGSA-N 410.478 1.517 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1OC 1768495300 BMISKYKQJRNLBW-JLTOFOAXSA-N 414.441 1.683 30 10 HDEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772786114 PLLYGMADAIBZPO-UHFFFAOYSA-N 408.819 1.958 30 10 HDEE COc1cccc(C#CCNC(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)c1 1850093282 IOUVWCNWALXOKW-UHFFFAOYSA-N 419.481 1.781 30 10 HDEE COc1ccc(N(C(=O)[C@H]2CN3CCN2CC3)c2nccc(N(C)C)c2C#N)cc1 1851819787 ZPADZIWURDULJN-HXUWFJFHSA-N 406.490 1.692 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)C(=O)C2 1852646406 JSCBDVCDTIYGCK-INIZCTEOSA-N 413.430 1.966 30 10 HDEE N#Cc1ccccc1OCC(=O)O[C@@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852665384 MGAOEIFDYUKWHG-MOPGFXCFSA-N 419.437 1.492 30 10 HDEE Cn1cnnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1853984301 SMPIZIHCZBZCMZ-KRWDZBQOSA-N 406.490 1.945 30 10 HDEE Cc1ccccc1OCC(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1854014653 XAHCOHSWLNCHPV-INIZCTEOSA-N 402.428 1.793 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2=O)CC1 1854725029 SZPUVGYLSXYRQD-JKSUJKDBSA-N 402.520 1.758 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)CC#N 1854872183 DTPUFHKFVNWJND-MRXNPFEDSA-N 411.483 1.731 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)CCCOc3ccccc3)C2=O)CC1=O 1855637255 YQQNTASWHJDUQL-QUCCMNQESA-N 413.518 1.939 30 10 HDEE C[C@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@H]1CCOC1 1855975566 IUYMHPBLXZFODI-KBPBESRZSA-N 405.476 1.309 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COc1cccnc1 1856102040 LVMFSVZNBMHUJT-UHFFFAOYSA-N 415.471 1.773 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC(Cn4nccn4)CC3)CC2=O)cc1 1856162059 RZFPEHXNHXJDJX-HXUWFJFHSA-N 406.490 1.480 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCCO4)C(=O)C3)C2)s1 1856347761 QNYCEJZDEWXOIV-QAPCUYQASA-N 402.520 1.434 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1856537582 NFWWBQQZHHXGOM-SFHVURJKSA-N 403.504 1.127 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CCc3ccc(OC)cc3OC)C(=O)C2)C1 1856836155 JAKPYWGNSCYWLD-IBGZPJMESA-N 415.534 1.958 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CC[C@H]2CCCO2)C1=O 1857060875 WHCFYSGLNDSGKK-HUUCEWRRSA-N 405.476 1.815 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCC(F)(F)C3)C2)CC1 1857062764 PHFRBYXCIMQTGP-ZIAGYGMSSA-N 403.451 1.362 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncc(Cl)cn2)C1)[C@H]1CCN(C)C1=O 1857081045 SZUIWZAFGWKMNQ-HIFRSBDPSA-N 405.886 1.228 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)c1 1857144408 INQSBYDSYZHZCW-KRWDZBQOSA-N 400.479 1.366 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)Cn3cnc(C4CC4)cc3=O)C1)CC2 1857231134 RFMLTNRITPMUHJ-WBVHZDCISA-N 409.490 1.121 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)CCn3cncn3)C2)CC1 1857260960 QXQVVIQCJCMPGG-MRXNPFEDSA-N 407.478 1.190 30 10 HDEE Cc1noc(C)c1CN1CC[C@H](N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)C1 1857324528 MEYHUKKFQGZPAS-IBGZPJMESA-N 407.474 1.722 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 1858304915 TVGXCPFQXSRFMO-KRWDZBQOSA-N 416.437 1.575 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)s1 1858337093 WKUKQAGDHCZKDA-AWEZNQCLSA-N 411.530 1.670 30 10 HDEE CC(C)NC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858651334 NFHIPVHPVWUZOR-UHFFFAOYSA-N 400.460 1.885 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(CC)nn2C 1865224438 FTMNUPJMWXHCEY-KRWDZBQOSA-N 412.490 1.693 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)OCCOc1ccccc1 1872637255 TZGOOZQGQVFGEG-UHFFFAOYSA-N 401.419 1.814 30 10 HDEE C=CCn1c(C(=O)Nc2cccc(N(C)C)c2)cc2c(N(CCO)CCO)ncnc21 1873645884 CKYUAUVNTZNPJR-UHFFFAOYSA-N 424.505 1.727 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)CC1=O 1874332932 BVJLVSWJECRFDI-NXSNIQIJSA-N 402.480 1.168 30 10 HDEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)cc1O 1874501245 XTSSEPBGLDBFDA-CNHKJKLMSA-N 420.476 1.905 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)CC1 1889437269 MTVXHGPZRAIWFY-UHFFFAOYSA-N 409.534 1.445 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889950676 HPSUDWQXRKBRSM-QGZVFWFLSA-N 417.425 1.801 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908254677 SLJUYYIHPPTYKO-XUWVNRHRSA-N 423.363 1.992 30 10 HDEE C=C(CNC(=O)[C@]1(CO)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991966911 RWCWUKCURSFVND-HXUWFJFHSA-N 410.320 1.910 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNS(=O)(=O)c2ccc(C#N)s2)C1 2136616520 AIEAOAZAGHFKCC-MRXNPFEDSA-N 401.510 1.660 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2174782356 POJDZIUDFPQRPS-JKIFEVAISA-N 402.517 1.081 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2188824046 AMZXMVGRPLZVKE-ZSBFGKGUSA-N 401.529 1.749 30 10 HDEE CC1(C)OB(c2csc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)OC1(C)C 2197933674 DNATWTWZNMCGGT-GFCCVEGCSA-N 400.331 1.034 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243419009 PQGIFHRAWXIPRG-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CNC[C@H]3C4)cc2Cl)OC1(C)C 2267353950 NUTPNQQIYKGYPN-RFAUZJTJSA-N 404.750 1.341 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@]4(CO)C3)cc2Cl)OC1(C)C 2282304130 GTGXUMPRHPLCRZ-MGPLVRAMSA-N 419.761 1.704 30 10 HDEE C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341408 RSVHRWGNMSFLDR-CHWSQXEVSA-N 401.359 1.971 30 10 HDEE CC1(C)CNCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282488327 AJOAVPZSGRAGCU-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CCN(C[C@@H](C)N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282495118 IADYQAHOUQCDLO-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE CCNCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282500023 UYZQGQZOOZZDKP-UHFFFAOYSA-N 402.753 1.917 30 10 HDEE Cc1nc(S(=O)(=O)NCCSC(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510875 FZDYROFEXVINIT-UHFFFAOYSA-N 403.379 1.448 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC[C@H](C2OCCO2)C1 2282538613 ILYIDDSYVUWSOF-AWEZNQCLSA-N 403.284 1.829 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCC[C@@H]2O)OC1(C)C 2282835493 VMNRBQPMCQUCNN-YPMHNXCESA-N 402.347 1.023 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835972 CRPASOZVIRYGFZ-NSHDSACASA-N 419.761 1.753 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282841442 UTQPOYHAEWRSBP-GHMZBOCLSA-N 421.777 1.950 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859171 IXIIBXJJOIAOKA-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE C=C[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284396844 ZBJWWIZCJLQQAH-LBPRGKRZSA-N 401.677 1.557 30 10 HDEE CC(C)(C=CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284396990 ZZCJVMPFORVZFD-UHFFFAOYSA-N 401.315 1.745 30 10 HDEE CCOC(=O)C(C(C)=O)=C1OC(=O)c2cc3c(cc21)C(=O)[C@H](C(=O)OCC)C3=O 2293410427 KIMYOBNWXMINQE-AWEZNQCLSA-N 400.339 1.279 30 10 HDEE COc1ccc(C=N[C@H]2CS(=O)(=O)C[C@H]2NC(=O)C(Cl)(Cl)Cl)cc1 2294703356 HACFRBFDVVSBHH-NWDGAFQWSA-N 413.710 1.766 30 10 HDEE N#CC1(NC(=O)COC(=O)C2CCN(C=CC(=O)C(F)(F)F)CC2)CCCC1 2297350220 XZXSMFYFOPZCEO-UHFFFAOYSA-N 401.385 1.839 30 10 HDEE C[C@@H]1C(=NO)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H]1C 2321213741 GOFPYYSNUVJYKJ-KBPBESRZSA-N 407.492 1.953 30 10 HDEE O=C(O)CCc1nnc(S)n(N=Cc2ccc(OC(=O)c3ccco3)cc2)c1=O 2321663870 GIUQROKQJBVIDO-UHFFFAOYSA-N 414.399 1.639 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2)CC1=O 2327849022 QOHPORYPHKGITF-CQSZACIVSA-N 400.508 1.852 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@H]1CC2=NO 2328369142 ZOUPSXRMYBFVSS-IIYDPXPESA-N 405.476 1.611 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(SC)CN(C(=O)OC(C)(C)C)C1 2342047361 BVDYGJUEBAFDFH-CQSZACIVSA-N 402.582 1.898 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(F)(F)[C@@](C)(N)C3)c2)OC1(C)C 2362001896 WVGZNQNYDQMSOS-AWEZNQCLSA-N 408.301 1.404 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2365202445 DUVVRYKIYCYCNC-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(F)cc2NC(=O)c2ccoc2)CC1 57194421 WYGCGGBSWPQQSC-UHFFFAOYSA-N 414.437 1.731 30 10 HDEE CCOC(=O)c1ccsc1NC(=O)C[C@@H]1S/C(=N\c2ncccn2)NC1=O 72435648 UOOPBGAKHIZOHN-JTQLQIEISA-N 405.461 1.963 30 10 HDEE Cc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444398 WPELCAJFSUDUBE-CVEARBPZSA-N 421.457 1.645 30 10 HDEE CCc1ccc(CN2CCN(S(=O)(=O)N(CCC#N)CCOC)CC2)s1 410122462 PSZQKXPYOFEHHB-UHFFFAOYSA-N 400.570 1.535 30 10 HDEE CNC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 435942444 OFAULSRTBCOPFW-KSSFIOAISA-N 414.487 1.219 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H]1CCN(c2sccc2C#N)C1=O 441215322 BRWHMBHHOOZOKK-QMIVOQANSA-N 403.460 1.150 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2cc(C#N)cn2C)CC1 471600718 DLKCORWJPYLKRF-UHFFFAOYSA-N 415.538 1.904 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H](N2CCCC2)C1 481780472 OAYDUXFNSCRVMB-AEFFLSMTSA-N 404.536 1.702 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@]2(CCOC2)O1 483173613 CHHCWYOCPQZDSM-UTKZUKDTSA-N 418.563 1.727 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 487059924 PDUYPOVGQRWWPB-RBUKOAKNSA-N 419.489 1.417 30 10 HDEE CCOC(=O)[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)c(F)c1 489618051 MZAPSUGDJOGAIV-KRWDZBQOSA-N 407.423 1.992 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cc(C)cn2)CC1 508885852 UOKJOTCVWURJBX-QGZVFWFLSA-N 404.540 1.788 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508904782 VZJJDTCZEXYRBL-CRAIPNDOSA-N 417.535 1.906 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 509000332 JSFHHQMMKSXLCY-FQEVSTJZSA-N 408.466 1.597 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1 510395076 MBFOWDQTXINCHF-UHFFFAOYSA-N 419.445 1.359 30 10 HDEE CC(C)Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 514156094 ODGNLORGOCUYGB-UHFFFAOYSA-N 401.492 1.557 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)C1 522401127 QWTZTFIEMKQZBZ-QUCCMNQESA-N 414.554 1.922 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)c1ccc(F)c(C#N)c1 522751239 LJYOUZBAQZMGEJ-OAHLLOKOSA-N 403.483 1.581 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 532457293 YDEIRDCIGCVCRU-HNNXBMFYSA-N 415.471 1.427 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(-c2ccccc2)c1C 533433174 YYXULZNFYBMZFK-INIZCTEOSA-N 415.519 1.528 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCCc1csc(N2CCCC2)n1 540971227 YGTFGWKOZRTVFL-UHFFFAOYSA-N 402.528 1.737 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)COc3cccc(N4CCCC4=O)c3)CC2)n1 546902264 DHZGKMVWLFPMCM-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553540511 QFDYZXOUKFOZLX-CQSZACIVSA-N 402.451 1.639 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 571430063 ZJUFSIXJHDXXQH-INIZCTEOSA-N 423.491 1.580 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 579688066 URWDXXYJVQFXJQ-QAPCUYQASA-N 413.544 1.192 30 10 HDEE CCCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N(C)CCC#N)cc21 586312226 FGXZUVZQOCTHDO-MUUNZHRXSA-N 405.476 1.125 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)c3ccc(-n4cnnn4)cc3Cl)CC2)nc1 609149670 SMBHQGJWWWKONC-UHFFFAOYSA-N 408.853 1.981 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(Br)cc(C(=O)N2CCCC2)c1 684147795 VUHCYPHWZRMPTA-UHFFFAOYSA-N 424.295 1.942 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 735177868 GSXTULBJXISWGB-MAABLUSNSA-N 420.491 1.230 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 742194477 YDRBNTNWQGOFLA-UHFFFAOYSA-N 404.536 1.705 30 10 HDEE CC(C)N1C(=O)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 742820527 LQLGSFVEKNUJTF-UHFFFAOYSA-N 420.535 1.363 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)o1 749531079 SHVAASPMOCMOBB-UHFFFAOYSA-N 402.476 1.800 30 10 HDEE C#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)NCc2ccco2)CC1 750729610 AZBDTOLGDUAZHX-UHFFFAOYSA-N 407.517 1.601 30 10 HDEE C#CCN(Cc1csc(CNC(=O)c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 750824968 AUSOOPHQNBOEOZ-QGZVFWFLSA-N 403.529 1.695 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc(N(C)C)nc1 752434886 LOHPMYVGVHLWQQ-OAHLLOKOSA-N 416.507 1.635 30 10 HDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(O[C@H]2CCOC2)c1 758753184 DJFVSBGLVNPZNQ-QBNCKDSPSA-N 414.462 1.488 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)nc1 761017010 JTFVNCDDDMYMAH-LBPRGKRZSA-N 403.416 1.402 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCN1C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C1=O 761269281 AJSOVMXKGYGALX-QNFDFVDRSA-N 408.458 1.943 30 10 HDEE COc1ccc(CCNC(C)=O)cc1S(=O)(=O)NC(=O)c1ccc(C#N)cc1C 767585978 TZZAFGIRMYKOJX-UHFFFAOYSA-N 415.471 1.673 30 10 HDEE COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 771214977 GBSGYRDZBAJFGE-AWEZNQCLSA-N 420.853 1.029 30 10 HDEE C#CCN(C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 774195698 KSFCKVLUZGGBLS-PXNSSMCTSA-N 419.547 1.239 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@H]1CCS(=O)(=O)C1 774241332 LLXSTYAZMZZJHL-KGLIPLIRSA-N 418.475 1.638 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)OCC(=O)NC3(C#N)CCC3)C[C@H](C1)C2=O 784250498 KCUVCNUQLOJTOO-GOOCMWNKSA-N 419.478 1.554 30 10 HDEE C#CCOCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 784598684 QYSUJDHKWKJBDN-OAHLLOKOSA-N 415.309 1.368 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C[C@H]3CCOC3)CC2)n1 789032577 YGVXHKZVKCMZDO-GOSISDBHSA-N 403.527 1.175 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2)cc1 791253954 RNWCRIHUFMAXNQ-UHFFFAOYSA-N 401.440 1.737 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 798110961 PPILWVKMASWAOF-IRXDYDNUSA-N 400.479 1.575 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(CC)[C@@H]2c2ccc(Cl)c(F)c2)CC1 801959936 MZSIGAWKOAMRRB-TZIWHRDSSA-N 406.933 1.981 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161381 GTJIENAPBIIVRC-UHFFFAOYSA-N 414.384 1.590 30 10 HDEE N#Cc1cccnc1N1CCN(c2ccc(C(=O)C3CC3)cc2S(N)(=O)=O)CC1 809345542 FUCDDCUONFXCAL-UHFFFAOYSA-N 411.487 1.520 30 10 HDEE CC#CCS(=O)(=O)NC(=O)c1ccc2cc(I)ccc2n1 810776970 PBCMDULTAFBVEE-UHFFFAOYSA-N 414.224 1.922 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1 811961782 DHQAIOUXAARHQK-GOSISDBHSA-N 404.898 1.200 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCCO1 812263116 NVJDTFWWGOWOLU-HZPDHXFCSA-N 405.499 1.835 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1C#N 813654569 SSCPQQYITYYZKU-INIZCTEOSA-N 413.503 1.442 30 10 HDEE N#CCCC[C@@H](NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 817320018 VTWGHWYMFLWYLU-DLBZAZTESA-N 416.503 1.703 30 10 HDEE Cc1oc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c(C#N)c1C 822225408 BKSBQHSYBBTNJH-NSHDSACASA-N 423.422 1.756 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)CC1 849127053 OMDDHNIGUKZBAC-LWSSLDFYSA-N 406.574 1.606 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 916711190 RDEXXUWWZNPTMB-BPHPCYGNSA-N 408.480 1.526 30 10 HDEE COCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916871093 QDBKFYKAIUDHHL-AEFFLSMTSA-N 403.454 1.468 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCc2cnn(-c3ccccc3)n2)cc1 918521398 OKDJNJSATMGLNX-UHFFFAOYSA-N 411.443 1.816 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 928713419 PIMRPZCXHVKUPN-HNNXBMFYSA-N 422.445 1.317 30 10 HDEE CNC(=O)COc1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1OC 1126630495 DSAZGZHCLJJGNX-UHFFFAOYSA-N 420.429 1.584 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)C(=O)OCC 1132418612 UCQPEWFSUCOBHH-AWEZNQCLSA-N 406.874 1.531 30 10 HDEE C[C@@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C[C@]1(C)CS(=O)(=O)C2 1133197350 UYASUFBILNFQBT-RYGJVYDSSA-N 401.488 1.194 30 10 HDEE N#C[C@@]12CN(C(=O)c3sc(N4CCCC4)nc3Cl)C[C@H]1CS(=O)(=O)C2 1134052808 PDALPOXITOWBJI-BONVTDFDSA-N 400.913 1.407 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(F)c1 1135347404 CVMUUCYYOMCIQT-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccccn3)CC2)s1 1136018750 FZCWRPRBWKWHOE-UHFFFAOYSA-N 420.560 1.494 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1149433064 VBSGBCKLYLDHMY-UHFFFAOYSA-N 423.498 1.700 30 10 HDEE CC(C)CC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1156670122 PNGFVLDVXJZOLS-HQRMLTQVSA-N 403.504 1.287 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1160058933 GFOXCHAGKMUEBG-OAHLLOKOSA-N 402.451 1.305 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H](O)[C@H]2CCCO2)CC1 1166734088 SVXWBMGBVLDZOD-HZPDHXFCSA-N 400.435 1.679 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccnn1C 1174678815 SXEDYXOGYPVXPX-AWEZNQCLSA-N 403.508 1.896 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1 1175854030 LJZLBHMGOJYENB-UHFFFAOYSA-N 415.309 1.104 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)Cc2cccc(OCC#N)c2)cn1 1177712912 KUKRERGMNOTZAY-SFHVURJKSA-N 402.476 1.253 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCCC1CCN(C(=O)OC(C)(C)C)CC1 1191934964 CTKINBGHSPCSRI-UHFFFAOYSA-N 418.560 1.720 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1211463964 DWERIRKTGBJROU-HOTGVXAUSA-N 422.507 1.225 30 10 HDEE N#CCc1ccsc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1264547466 BYQLUBYLRQWMJL-UHFFFAOYSA-N 419.528 1.906 30 10 HDEE C#CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1277114070 JPBOKHLRIAVCKO-HNNXBMFYSA-N 408.476 1.481 30 10 HDEE C#CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1286360632 UZLMXAMKOLLBBG-NRFANRHFSA-N 416.526 1.338 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1286377960 DMRIPRQPVFPLGI-UHFFFAOYSA-N 417.535 1.177 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286393815 SEUWTLONVOFTGF-INIZCTEOSA-N 403.508 1.510 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)OC)c1 1286458869 FTFFEVZGVNSVSS-UHFFFAOYSA-N 423.477 1.991 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN(C)CCOC)CC1 1286475552 BOTFFIACQZCNIM-UHFFFAOYSA-N 421.549 1.540 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286476994 MORGGTGEMSLFDH-IBGZPJMESA-N 407.522 1.354 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@@]1(OCC)CCOC1 1286565307 JFAJLFZRKBOEPH-KALAIVBUSA-N 421.542 1.612 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC(C)(C)C2)CC1 1286633262 GDQKMAUPUBVUAA-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1286700159 KLBAXFFPAWMKJF-INIZCTEOSA-N 421.567 1.738 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCC2=O)C1 1286804833 NUJGQHVTWWWMLW-SFHVURJKSA-N 413.526 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccccc2C1 1286819879 YOCLQVBCIXMTOI-KRWDZBQOSA-N 415.519 1.393 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)nc2n(C)c1=O 1288172668 DSYLOSTUEFINLQ-AWEZNQCLSA-N 417.347 1.537 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1294723429 PXJYBIFANZGKDE-OXJNMPFZSA-N 416.478 1.301 30 10 HDEE COC[C@@]1(C(=O)N2CCN(C(=O)CC#N)CC2)CCCCN1C(=O)OC(C)(C)C 1294724080 YENQDXZRVMWVBK-HXUWFJFHSA-N 408.499 1.377 30 10 HDEE C#CC[C@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C(=O)OC 1299179528 RWTSDWUFRACQBM-HNNXBMFYSA-N 419.482 1.453 30 10 HDEE CO[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCOC1 1299808697 FATPPDUBFXDELP-QFBILLFUSA-N 423.539 1.116 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1300304495 OVLZNYALDZKECZ-JKSUJKDBSA-N 421.505 1.773 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1300506401 SCDCHHNSKMKMOH-GOSISDBHSA-N 418.501 1.542 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 1300600556 NPKKGXKWGJBUFJ-UHFFFAOYSA-N 413.430 1.634 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C)c1 1300653411 MJQGHRGCTCGCGO-INIZCTEOSA-N 405.524 1.331 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccnc2-n2cccn2)CC1 1300682735 PXFSMJJEUASPRX-UHFFFAOYSA-N 404.522 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@H]1C 1301497169 QMRLDNLGWJYYGJ-LSDHHAIUSA-N 421.505 1.729 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2COCCO2)C1 1301567262 GFCTZPVHJMBAHU-MHORFTMASA-N 408.499 1.199 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)C(=O)C1 1301596136 IPBJPANLTNWMKJ-UHFFFAOYSA-N 404.540 1.244 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1302444358 RNECOYZMDTUMSB-MGPUTAFESA-N 401.515 1.522 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1302971009 PQIRYSWWZDQACL-AEFFLSMTSA-N 414.485 1.689 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(C)C 1303405422 SVNPXBQXBFFOHI-QGZVFWFLSA-N 403.531 1.408 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1 1305715434 STFULFPIGHSSCK-UHFFFAOYSA-N 409.508 1.890 30 10 HDEE CCOC(=O)Cc1cnc(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)s1 1310883900 DYEYVYJONKEVOQ-UHFFFAOYSA-N 400.464 1.869 30 10 HDEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316473804 WNJHMRRIIVQRDX-INIZCTEOSA-N 403.556 1.444 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(C)=O)CC1 1358870214 IGKGGFLOOIVGDR-HNNXBMFYSA-N 402.543 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1358870365 LQJVDDXZVITRSG-LSDHHAIUSA-N 416.507 1.208 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1358900636 OZGSYDHQDSJYJY-AYBZRNKSSA-N 422.493 1.484 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1358924319 SIYUPHBDGTXZKM-VQIMIIECSA-N 422.493 1.574 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1358964111 UCMWLUGECQLMLI-ZWKOTPCHSA-N 422.551 1.392 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1359011887 QBNRATUTDHHEMT-GOSISDBHSA-N 407.522 1.697 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](OCC)C(C)C)CC1 1359028082 GUJXGZPTENOBID-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359329603 OJTBOOIHFJOVGD-OAHLLOKOSA-N 403.508 1.213 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1COCCO1 1359851869 GNGQPQGFPXRBRE-GOSISDBHSA-N 411.510 1.485 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1360475037 ZBNRQONUKAZZQB-DOMZBBRYSA-N 413.482 1.659 30 10 HDEE C=CC[C@@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1447547788 DECLVZPZZYBSJT-SUMNFNSASA-N 416.540 1.759 30 10 HDEE C#CCC1(O)CCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 1455193279 UKAGCECHKVZQEO-UHFFFAOYSA-N 404.264 1.536 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1Br 1455503454 ZZNDJPOHIDZHKY-STQMWFEESA-N 413.293 1.593 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)C2)nc1 1456059469 HORXQVUQSNRVOA-APWZRJJASA-N 417.473 1.476 30 10 HDEE C=CCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)[C@H]1CCS(=O)(=O)C1 1456087546 RHLBDHKHYZVXEM-NSHDSACASA-N 402.398 1.872 30 10 HDEE C=CCC1(O)CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1460802841 VJLXRZRAVPSONB-UHFFFAOYSA-N 421.563 1.064 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)NCCOc1ccc3c(c1)OCO3)C2 1460895664 QIFJCFDNBLBACE-UHFFFAOYSA-N 400.460 1.484 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)C1=O 1465330498 MGGZIZSNRJWNLZ-UHFFFAOYSA-N 405.252 1.406 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C(C)C)[C@H](O)C(F)(F)F)cc1S(=O)(=O)NCC#N 1467968625 KOXSHVQFECDQPG-KBPBESRZSA-N 407.414 1.475 30 10 HDEE C#CCN(C)CCCNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1468546394 UVSMBMHEKIVBCR-KRWDZBQOSA-N 418.542 1.925 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1469990776 DIUSBCAAFZLBNK-UHFFFAOYSA-N 423.473 1.469 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c1 1471523430 CTUMDRVWYUYYJZ-MRXNPFEDSA-N 408.462 1.886 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1472221595 BNKFKJPCSIDTAF-DMAKZNTKSA-N 422.503 1.201 30 10 HDEE C#C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C1CCOCC1 1475513674 BGVGOYIADLHKAD-GOSISDBHSA-N 418.515 1.657 30 10 HDEE COC(=O)[C@H]1C[C@H](O)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1475929494 DFIOWWZVOBRYBU-GJZGRUSLSA-N 400.460 1.993 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)C2=O)cc1 1478423295 ZSMBBCIPCQVZLU-WBVHZDCISA-N 421.461 1.127 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2nc(O)c3ccccc3n2)CC1)C1CCOCC1 1479006713 CAZVRKAYBWNQRH-GOSISDBHSA-N 409.490 1.591 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(c3ccc(F)cc3C(N)=O)CC1)C2 1479160121 SOPZBZHMKASMOM-GOSISDBHSA-N 407.449 1.795 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)s1 1492766552 PMFOGJXIVZNRMP-AWEZNQCLSA-N 400.512 1.762 30 10 HDEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1494772235 JTSKOEMPKJGZRE-VPWXQRGCSA-N 406.531 1.340 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1499680308 CZMHODGITNQGLL-KRWDZBQOSA-N 420.477 1.585 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504998598 JZNLASSUPFKPRH-CABCVRRESA-N 408.503 1.036 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1507516438 LBHXYCUHYIDWAH-STQMWFEESA-N 411.478 1.867 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CN2CCCCC2)C1 1507573207 FKIRPKBAZLOYTM-MSOLQXFVSA-N 422.599 1.614 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CCCn1cnnn1 1507605565 VYVDRHGKWXRGMT-UHFFFAOYSA-N 401.272 1.854 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507631897 GYJJZIIKHDNRDL-HUUCEWRRSA-N 421.548 1.222 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507794274 DXAIJYLJOREYLX-OTWHNJEPSA-N 402.543 1.311 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](C)C1 1507805914 LMRCIFNLVZGJRW-UWVAXJGDSA-N 403.527 1.997 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)CC1 1507882589 VLAIPWBMPMQGLP-CQSZACIVSA-N 406.512 1.497 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@H]2C1 1507920160 TUNKMDFLQQVZDH-OAHLLOKOSA-N 402.499 1.644 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1508122015 BUJWBYFYIQZVKQ-UONOGXRCSA-N 420.482 1.591 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1508160091 SICFZDZWUSBAOJ-GOEBONIOSA-N 418.567 1.643 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1508160497 USZZKAUFJSTKJB-HUUCEWRRSA-N 402.528 1.581 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1508237350 PVUXFLSQWQUXGM-IBGZPJMESA-N 410.478 1.291 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1512564283 GTKOGUUPMSCDBV-KRGDBVFUSA-N 418.523 1.250 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCN(C)C 1513913198 DXBHUMRFYXRRGO-UHFFFAOYSA-N 415.517 1.756 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1516859595 MTUAILMGKKEAEC-LXLLPEIISA-N 415.475 1.699 30 10 HDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1519807001 AIXBAYZYNVLONJ-AWEZNQCLSA-N 421.548 1.715 30 10 HDEE C[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1520733370 ZERKDGJNYAQIFR-ZBFHGGJFSA-N 413.482 1.982 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CC2(C(N)=O)CCOCC2)CC1 1521122139 SUMKDZJHDVKJGF-UHFFFAOYSA-N 414.535 1.952 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCOCC(F)F)CCN1C1CC1 1521136399 DWFNVGNVBDABFO-KRWDZBQOSA-N 417.464 1.722 30 10 HDEE COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)COc1cccc(Br)c1C#N 1534943708 DTCUMJCIUASYAD-SMDDNHRTSA-N 411.252 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](CC(C)C)NC(=O)OCC 1539258596 YMWRUVVLFBPYEM-QGZVFWFLSA-N 409.494 1.969 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1539444882 XAZUGURICGWAOA-PMACEKPBSA-N 423.565 1.595 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](OC)C(C)C)CC1 1539481496 AMMPWGHMSMCNHC-FQEVSTJZSA-N 424.549 1.901 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CCOCC1 1540000681 HDNBFVUKQVMJRW-UHFFFAOYSA-N 400.479 1.740 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540005627 MUDMIGQEFBJUIL-SFHVURJKSA-N 403.527 1.823 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O)C1CC1 1540112535 XQIUTDUSIBKVTJ-UHFFFAOYSA-N 402.524 1.454 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1540870051 DKEBTHGRDGXPOE-QGZVFWFLSA-N 416.526 1.066 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cccc(C)c2)CC1 1540875350 IVGOPLKLLDDCJJ-UHFFFAOYSA-N 412.538 1.747 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)c1 1542111431 GDOPRKPXRXLTFI-QFIPXVFZSA-N 415.490 1.827 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1545601739 NEGIJLYEGBJWDL-LBPRGKRZSA-N 411.455 1.862 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1554150180 IJRDIKQCQMTQEM-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE CNC(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1554486204 GOIQSBHXYKDVKZ-HNAYVOBHSA-N 400.414 1.369 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1555995574 AZMIYDUERYCDBK-MRXNPFEDSA-N 402.499 1.194 30 10 HDEE C#CC[C@@H](NC(=O)c1sccc1S(=O)(=O)NCc1cccs1)C(=O)OC 1556970867 KSZSSYZSVFOMJQ-GFCCVEGCSA-N 412.514 1.583 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCc2ccccc2NC1=O 1557295062 BLKDIZPLBGPIJG-UGSOOPFHSA-N 412.471 1.295 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(c3cc(C#N)nc(C4CC4)n3)CC2)cc1 1559114279 NWZDWPWAMKINNM-UHFFFAOYSA-N 406.490 1.786 30 10 HDEE N#CC1(C[C@H](O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CCOCC1 1560230141 OTYDJVGXTNHJRT-DZKIICNBSA-N 410.458 1.499 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc3c2CCN(C)C3)n1 1561531761 QQCALRIGSGTEMR-UHFFFAOYSA-N 402.520 1.342 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(F)(c2ccccn2)CC1)c1cc[nH]n1 1568768441 RRAZRTHEZZWPEV-UHFFFAOYSA-N 403.414 1.576 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)COc1cccc(Br)c1C#N 1585080838 IDKYTPGLHWWRLW-UHFFFAOYSA-N 424.173 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1587586514 PBYYMYHJHFLFLW-XOBRGWDASA-N 414.487 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C#N)C1 1587635546 NYXRUQYTEFVSGO-OLZOCXBDSA-N 418.416 1.759 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1587851308 HIAMMMHMLXXRAA-HNNXBMFYSA-N 402.499 1.700 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588030413 URDKAQHKMSRNHT-TVFCKZIOSA-N 408.568 1.969 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1-c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1588035366 SPHMLPVWGIXKTD-IBGZPJMESA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1588112942 CVWQNHWTWDIMGG-GAJHUEQPSA-N 424.501 1.965 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1 1588199630 VNNIPPSPSMOOMQ-CABCVRRESA-N 416.330 1.709 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC(F)(F)F)n1 1588723955 RNIKAVGERQIIGR-CQSZACIVSA-N 412.416 1.827 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1588837594 ZKLWNQGJMNILIO-FQEVSTJZSA-N 402.587 1.469 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1594812853 LRTURICDWMZLKU-CGTJXYLNSA-N 424.567 1.777 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1594825395 ZBCZLVDUBDBNAA-GOSISDBHSA-N 415.542 1.789 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(F)(F)CC1 1595467342 RYMPLBRGLVJPFB-UHFFFAOYSA-N 405.409 1.463 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1595537167 MWLILLPNZSQXLC-UHFFFAOYSA-N 409.469 1.795 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1 1595543902 BHNVWOYBLPRECI-MRXNPFEDSA-N 407.515 1.657 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595544337 HFWJFLRWFULDOX-AEFFLSMTSA-N 413.526 1.624 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3CCN(c4ccccc4C#N)CC3)CCC2=O)cn1 1596110780 XBUNPRNOYOXHGJ-KRWDZBQOSA-N 406.490 1.820 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cn2ccsc2n1 1608399708 FTDLUABNWKPLBF-QGZVFWFLSA-N 402.459 1.616 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1614955608 DSFDXADQALRNBE-MRXNPFEDSA-N 413.438 1.498 30 10 HDEE CCN(c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1615265042 MOQXMAJZIDXJLX-FMQUCBEESA-N 424.509 1.655 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O 1617071454 FHJOPSZFADSDDL-UHFFFAOYSA-N 407.434 1.391 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1618500502 OUFBJAHLLVIBGF-QRWLVFNGSA-N 406.531 1.904 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@]3(O)CCc4ccccc43)CC2)o1 1618754174 AVNTYTIHXUVELB-JOCHJYFZSA-N 409.490 1.269 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1620026288 XASYGGBRXVLLHH-IXDOHACOSA-N 421.498 1.274 30 10 HDEE CCO[C@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1 1624144554 UVTJFBDCXWJPRE-YOEHRIQHSA-N 400.435 1.896 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(CC(N)=O)CC2)C1 1624808158 JWVQPRHHVKSRGV-UHFFFAOYSA-N 405.296 1.871 30 10 HDEE CN1CCC[C@@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1624893710 ZMOHQOOCPDBZOL-JUJXNAJKSA-N 408.524 1.285 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1)C(=O)OC 1626204512 GNMSXJKSTLOVHD-IAGOWNOFSA-N 403.435 1.045 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc(C)c2OC)CC1 1626376195 PMJUBIPDLHPGCW-UHFFFAOYSA-N 400.888 1.274 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)cc(Br)c2F)CC1 1627015249 LTOPPAOBZPIPJJ-UHFFFAOYSA-N 414.250 1.625 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(NCCc2ccccn2)cc1 1627264162 CDFCNVOZHBMLKL-LSDHQDQOSA-N 405.458 1.992 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCCC1 1628339088 FODXSYNCXVMPMV-UHFFFAOYSA-N 400.298 1.928 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCCCC3)CC2)C[C@H](C)O1 1629863353 CLCDVPVHDUEJEN-IRXDYDNUSA-N 412.556 1.349 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)C#Cc2ccc3c(c2)OCO3)CC1 1630379963 QZYLGCFAIYNELE-UHFFFAOYSA-N 402.447 1.645 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)C1 1631139890 IPAJTACBLYUFMR-HNNXBMFYSA-N 419.279 1.856 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1631231811 SPJCYCGAXMLART-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE COCCCS(=O)(=O)NCC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1631406575 IWNXTLRYJVKXOM-UHFFFAOYSA-N 404.448 1.640 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1633641209 SMECDABKNSISMH-MAUKXSAKSA-N 411.911 1.635 30 10 HDEE CCOC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636142809 VFTQVFAVBDSVPO-QGZVFWFLSA-N 404.492 1.989 30 10 HDEE CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CO 1636605601 XOHIXWIEJZFOEA-WIEQDCTASA-N 423.469 1.929 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1639491287 QXERMLPVPZAMGW-VIFPVBQESA-N 401.370 1.226 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](Cn2cncn2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1639509778 GXEXYBKMVPYLLH-AUUYWEPGSA-N 407.471 1.282 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 1640307021 ITVBLENWIZBMJQ-KBPBESRZSA-N 412.471 1.594 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1641702605 STOMQRQVNTYHIA-CQSZACIVSA-N 420.516 1.485 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)OCC)C2)ccc1F 1643843715 JKSHOAQPTMBBSC-CZUORRHYSA-N 416.446 1.653 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(OCc3ccccc3)cc2)c(=O)n1CCO 1644184269 ZNSMJKRXHQXLOF-UHFFFAOYSA-N 419.437 1.644 30 10 HDEE N#Cc1ncn(CC(=O)N2CC[C@@H](c3ccc(F)cc3)[C@@H](NC(=O)C(F)(F)F)C2)n1 1645177455 CGONDLSCSXPJBC-KBPBESRZSA-N 424.358 1.352 30 10 HDEE C=CC[C@@]1(C(=O)NCCCn2ccc(O)nc2=O)CCCN1C(=O)OC(C)(C)C 1647049573 GZMPGCHQSJWHEA-FQEVSTJZSA-N 406.483 1.801 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1647949372 JHQZDBTXGZZYKG-XQQFMLRXSA-N 418.874 1.443 30 10 HDEE CC[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1cccc(S(N)(=O)=O)c1 1653093714 ZSAFXQBTVUGVAN-LJQANCHMSA-N 411.483 1.674 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)ccc1OCC 1653726305 USQXCRWOPSGSSV-AWEZNQCLSA-N 417.505 1.236 30 10 HDEE CC(C)CC(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1F 1653760068 QKDLYGSJHGLGCA-UHFFFAOYSA-N 413.409 1.641 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1654847526 AHLJHPIMUIQBOQ-INIZCTEOSA-N 403.552 1.773 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1659830350 VHYRCBFPQFJBGD-UHFFFAOYSA-N 422.507 1.831 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1662926866 VFCNXTHJVWVIOJ-PMACEKPBSA-N 409.511 1.545 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C1CCOCC1 1665156558 RVYHLMUYMGZJJU-INIZCTEOSA-N 412.533 1.178 30 10 HDEE C=CCN(C(=O)Nc1ccn2ncc(C(=O)OCC)c2c1)[C@@H]1CCS(=O)(=O)C1 1673465375 KKTVSJXUOXNICC-CQSZACIVSA-N 406.464 1.718 30 10 HDEE N#Cc1cccc(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1 1678737649 BHWQYDWSALFNFG-MRXNPFEDSA-N 408.466 1.370 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(N)=O)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1678870240 KQIWNLBJKTXEFC-UHFFFAOYSA-N 415.494 1.725 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)CC1 1681385586 OPWAEAWYMABMER-MRXNPFEDSA-N 411.487 1.356 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCc3ccc(C#N)c(F)c3)no2)cn1 1683174718 CGPNYLSQGQQCRX-MRXNPFEDSA-N 411.397 1.764 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@H]1CCCc2ccccc21 1685349760 MUCUUCIYQQCBPD-KRWDZBQOSA-N 411.549 1.766 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(N3CCN(CC4CC4)CC3)cc2)nn1 1685710118 TUJMKCSDODGZPO-UHFFFAOYSA-N 409.538 1.996 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(CC(F)(F)C(F)F)CC1 1687114445 RUHYLSOBQXQVSV-UHFFFAOYSA-N 412.306 1.166 30 10 HDEE CN(C)CC#CCNC(=O)N1CCn2c(C(F)(F)F)nc(Br)c2C1 1687890105 AANCQQLRAFMTJC-UHFFFAOYSA-N 408.222 1.755 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC2(C1)OCCO2 1689973273 ANQFIHWLFLQLMG-OAHLLOKOSA-N 415.519 1.882 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689979697 GDTBISGYKHJVFV-IAGOWNOFSA-N 409.600 1.933 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1690056281 MFDHAZFEFQRHJU-UHFFFAOYSA-N 400.527 1.766 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCC(=O)NC2CC2)CC1 1690130330 DZNXWSUNUUFZGE-UHFFFAOYSA-N 412.563 1.744 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1690167387 HNAMNUSRCUQXQW-MRXNPFEDSA-N 415.544 1.333 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC)[C@@H](C)C1 1690246552 VMACZYGEYHLZMK-FAJBIJEISA-N 402.543 1.741 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690247533 BXHIQUGHNCXCRN-JZXOWHBKSA-N 411.572 1.587 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1690328963 ROXNLRCPGVAVAI-RRQGHBQHSA-N 415.947 1.648 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCCN(CC)C(=O)C1 1690342169 CIYFGEXYYKVNOU-UHFFFAOYSA-N 406.874 1.817 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1690655154 IXNNEYWTZFKSSA-GUDVDZBRSA-N 416.570 1.942 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690674983 MJBFDFRVTPTUDY-FQEVSTJZSA-N 419.533 1.542 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1694613809 XICBIFOHSZUIGL-HZPDHXFCSA-N 413.526 1.807 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCC(=O)NC1CC1 1697566973 AWHXRBZEBIYLSH-MRXNPFEDSA-N 410.478 1.741 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705559496 BHDCUJVTPQYHDC-QGZVFWFLSA-N 401.536 1.840 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2ncc(C)s2)CC1 1705638417 KHEVLUWGNGNCOI-GOEBONIOSA-N 413.551 1.553 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705660426 VIMRZSIDDNFTND-ZWKOTPCHSA-N 407.584 1.695 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705791694 BXVNGQSJFFLCBK-ARFHVFGLSA-N 421.567 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)C1 1705925117 LHPOWMZOAYMYMB-WCXIOVBPSA-N 410.540 1.387 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1706935203 NNHLBUDPEITYPF-CRAIPNDOSA-N 407.540 1.879 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)CC1 1706937694 RFTNRLSQDBXMPX-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE Cc1nnsc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1707031978 BETNVHIHGCQCOT-MSOLQXFVSA-N 421.502 1.969 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1711085424 HDQYYSQFEKODHA-KRWDZBQOSA-N 407.478 1.263 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1CCC(OC)CC1 1712454538 IESHESWREQMWSG-OFLPRAFFSA-N 404.515 1.801 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1722413523 NKPHPIYDDJVGEJ-GOSISDBHSA-N 414.531 1.761 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722461905 JPJZNHSXMCHQBM-KRWDZBQOSA-N 418.567 1.072 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](COC)C1 1722495497 XHQIXGFRMQJVHH-KURKYZTESA-N 403.527 1.968 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722698362 FDPLBPMJXWEBLH-MOPGFXCFSA-N 422.489 1.534 30 10 HDEE CNC(=O)CCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729710344 JMJHSQTYVXUDPL-ZPHPHTNESA-N 415.498 1.034 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1cccc(OC)c1 1740609842 PBJJQMZAPKKYPW-MRXNPFEDSA-N 418.519 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740638708 LVNAZYKPQHIUET-INIZCTEOSA-N 412.494 1.169 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1740650622 HOXCXPWIJQJWIQ-UZUQRXQVSA-N 424.501 1.965 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N2CCCCCC2)CC1 1740693494 AECOBHIFRGRDEW-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1740958655 SLIQVELEZWYMMJ-UHFFFAOYSA-N 402.543 1.539 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC2(CCOCC2)C1 1740990453 VCIMDALLDJQANX-UHFFFAOYSA-N 418.523 1.343 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1743880979 CLGNYDLUOLSVAL-OAHLLOKOSA-N 424.509 1.970 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1746468368 PWEHRDMNMFYEGY-RTBURBONSA-N 403.575 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1748671839 NFVLOCOTUNGPQM-WMLDXEAASA-N 415.519 1.046 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748803846 AETVCALTEBISLD-CVEARBPZSA-N 409.556 1.287 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1748804621 JIKAGZIYMMPANH-OAHLLOKOSA-N 409.899 1.341 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1748917423 XWAGUEBWQWPGOY-UHFFFAOYSA-N 423.550 1.429 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1748968912 OCSHQHUDFHTUCS-QFIPXVFZSA-N 422.489 1.293 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749038548 LBHKICWDSLFTOI-MBOZVWFJSA-N 406.552 1.923 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1749135005 BAWYFGHKFJJMED-FXAWDEMLSA-N 403.527 1.507 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)n(C)c2=O)CC1 1749303853 QRXDCKQNPJEZOO-KRWDZBQOSA-N 417.535 1.392 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749426456 CALRIKQCGJZZKO-ROUUACIJSA-N 402.543 1.491 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccn(C)n1 1749598491 ZDFHXSMZOUFHOO-UHFFFAOYSA-N 413.482 1.621 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(C#N)o1 1750022311 BPKPHHUTYOUNCZ-XYPHTWIQSA-N 405.455 1.365 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750387236 RYZSEHCGHGUOPL-KIJUOZEOSA-N 411.466 1.191 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1751652359 FVCSXPKKDNEWOR-LAUBAEHRSA-N 410.478 1.373 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1752270689 FLFOIPKYQYFSKO-OAHLLOKOSA-N 404.478 1.460 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1760099191 ZHLONVMBAKNAHO-CVEARBPZSA-N 411.506 1.794 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-c2nc[nH]n2)cc1 1760179287 PFLKTDSRVIQSQO-ROUUACIJSA-N 407.478 1.905 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1760257320 UCRQMDJXSWTRQT-LEWJYISDSA-N 405.543 1.092 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760259794 QDNKPDQOPPKEHO-LJQANCHMSA-N 423.521 1.677 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760355128 ZNHJMHJZYQRTPJ-UHFFFAOYSA-N 422.555 1.726 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760421955 FHPPPSSZVLPSTM-MJBXVCDLSA-N 413.500 1.359 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1760456590 SIKVNPHFWQZZJG-ZDUSSCGKSA-N 406.512 1.517 30 10 HDEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760510235 MRKUEERMFAOWTI-KRWDZBQOSA-N 417.535 1.787 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)[C@H](C)CC(N)=O 1760520859 BUGFZFWBPOHLJR-CQSZACIVSA-N 423.477 1.602 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCN(C)C(=O)[C@@H]1C 1760526773 HFTSHPXITGCCBO-INIZCTEOSA-N 421.505 1.250 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCC2)C1 1760541370 AWFMMVSHMOVBHQ-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE CC(=O)NCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1760682259 QTYMAPBDRBAKTJ-FQEVSTJZSA-N 410.457 1.485 30 10 HDEE CC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1)OC 1762349420 HIKJPZHUZGUQBB-MRXNPFEDSA-N 423.525 1.938 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@H]2CCCO2)CC1=O 1767521063 CRJXJWFIKOIBRM-LJQANCHMSA-N 424.505 1.681 30 10 HDEE CCOCc1nnc(N2CC[C@@](C)(CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767819423 XECWSUPUDPXRCH-ZGAGMJPPSA-N 402.499 1.967 30 10 HDEE CNC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1769319300 CUVBRPHFNYDPTB-UONOGXRCSA-N 402.430 1.422 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)cc1 1770287950 FABVEMWWIFJCTB-MRXNPFEDSA-N 423.420 1.876 30 10 HDEE C[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1CCN(C(=O)OC(C)(C)C)CC1=O 1772793725 WSAYSEAODKYEDS-LBPRGKRZSA-N 417.418 1.209 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC[C@@H]1CCS(=O)(=O)C1 1848912965 LUVORVPQZQORHQ-ICSRJNTNSA-N 409.548 1.946 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCN1CCCCC1 1849996203 FDTLOUWXAZYPMA-QGZVFWFLSA-N 408.524 1.050 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)NC1=O 1852400910 LRFHKLXGJMBQAO-AWEZNQCLSA-N 404.426 1.527 30 10 HDEE Cn1nncc1CN(C(=O)c1cnc(C#N)nc1)C1CCN(CC(F)(F)F)CC1 1853589106 JVHOMMCLQXFLOQ-UHFFFAOYSA-N 408.388 1.146 30 10 HDEE Cc1cc(CN2CCN(C(=O)CCON=C(N)c3ccc(Cl)cc3)CC2)n[nH]1 1853593317 PNAUTONTQHZTFS-UHFFFAOYSA-N 404.902 1.743 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1=O 1854186761 UUNVHHIYQRVWAU-HZPDHXFCSA-N 405.882 1.808 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1854393249 FCJRAHYQYWBCNP-QZTJIDSGSA-N 401.507 1.784 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3cnccc3c2)C(=O)C12CCCC2 1854401673 RVNWOOJCJKAZAO-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@@H]1C 1854726276 RRWXNFFLDDGQBD-DOTOQJQBSA-N 423.510 1.614 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1=O 1854742126 UTKKOALSSISCKE-MRXNPFEDSA-N 400.504 1.997 30 10 HDEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(CCC#N)CC3=O)n2)cc1 1856035697 UGPMFGSCXLVUTD-HNNXBMFYSA-N 409.446 1.064 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCN(CCn4cccn4)CC3)C2=O)cc1 1856701224 RZKHCKYXUCSTDR-FQEVSTJZSA-N 406.490 1.204 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2cccnc2Cl)C1=O 1856721960 NWIRGODGDLPELD-CVEARBPZSA-N 404.898 1.514 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3C)C2)CC1=O 1856819705 ILLFRBFJDNMHFZ-KRWDZBQOSA-N 423.510 1.534 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@H]1CCN(C)C1=O 1857050080 CWIZKXPEYLYZJA-RDJZCZTQSA-N 418.925 1.761 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nn(C)c3c2CCC3)C1)[C@@H]1CCN(C)C1=O 1857050567 MBQPWXBRZSSCTB-MAUKXSAKSA-N 413.522 1.006 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C3CCC(F)(F)CC3)C2)CC1 1857066434 MRBMDPVREPLVDI-HNNXBMFYSA-N 417.478 1.752 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)CC1 1857127125 GEBLZRHGVWSFTJ-PKOBYXMFSA-N 416.522 1.015 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)C1 1857412798 SGAQXMCEIFPHDO-QGZVFWFLSA-N 414.481 1.905 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862752257 WFMMXQIBFFOVOJ-QGZVFWFLSA-N 414.370 1.967 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(C)nn2C 1865228142 YANPYYWKBBKROL-IBGZPJMESA-N 423.517 1.762 30 10 HDEE CC(=O)Nc1ccc(C)c(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)c1 1870151057 KTTNSJRJKHEWFD-AWEZNQCLSA-N 409.450 1.601 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)COCc3ccccc3)cc2C1=O 1870157769 DGAOFDHSYSVVTI-UHFFFAOYSA-N 416.397 1.520 30 10 HDEE C=CCN=c1nc(Nc2ccc(F)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871517094 ISPSLSJUHMVISM-UHFFFAOYSA-N 407.457 1.891 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3CCc4ccccc4C3)ncnc21 1873562891 XUEUFVUCFPRGQT-UHFFFAOYSA-N 421.501 1.607 30 10 HDEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873593207 JJDXKLSEZZXUBJ-MRXNPFEDSA-N 421.505 1.450 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874436091 LRZLBNIQZVPBAC-DJKKODMXSA-N 420.451 1.750 30 10 HDEE CN(C[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1)C(=O)OC(C)(C)C 2118163690 SGPJOUHKRYWWFH-LBPRGKRZSA-N 401.510 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC(F)(F)C1 2174780930 ZXLFNCXUZHSNOZ-ZDUSSCGKSA-N 408.471 1.655 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2CCCC[C@H]2CS(N)(=O)=O)C1 2183034879 FGOKJRSCEGRYNG-AWEZNQCLSA-N 401.529 1.517 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(CNS(=O)(=O)c2ccc(C#N)s2)C1 2237807052 IEBRZXOMGPGEPC-PXAZEXFGSA-N 413.521 1.924 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247834547 XLHCOVBNRVNEBL-OKILXGFUSA-N 418.303 1.561 30 10 HDEE CNCC[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353732 MRAIMPQBJHBHDS-SNVBAGLBSA-N 408.782 1.977 30 10 HDEE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267711049 FINWHEHAQLXODB-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@@H]3CCCS3(=O)=O)ns2)OC1(C)C 2282007057 ZGPLEAFSTBBLIT-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2282012027 QBALAKIZADWZSL-NWDGAFQWSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3(CO)CCOCC3)c2Cl)OC1(C)C 2282054222 NUVZKCJJZDPBMF-UHFFFAOYSA-N 401.721 1.972 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@]2(F)C[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282323094 VWJOTZCQTLXAKE-AITUWYQGSA-N 404.338 1.463 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N)[C@@H](C)C1 2282327532 JTOHAOBJYROUPE-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(F)CCCNC2)OC1(C)C 2282335361 OLWFGNVPHKCUCY-INIZCTEOSA-N 404.338 1.417 30 10 HDEE C[C@@H]1SCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H]1C 2282345186 YLNLSDYKXCDHMA-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE C[C@@H](N)C1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282353349 GRSIAILKSXLHKW-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN[C@H]1CCN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282488466 BEZYOVXPCVYUSH-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE C[C@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494846 DIKFMIZJSOGBJG-SMDDNHRTSA-N 401.721 1.783 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282497251 NNXRWPYFTDRTMH-ZIAGYGMSSA-N 407.363 1.449 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O 2282581392 HJHIDGJLILFQOY-ONGXEEELSA-N 402.347 1.302 30 10 HDEE C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833389 HRYDXBWQHIWMCO-NEPJUHHUSA-N 401.363 1.084 30 10 HDEE Cc1cc(S(=O)(=O)N(C[C@@H](C)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282838188 KMCCNWDEPMFFLN-GFCCVEGCSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](CO)C3CCC3)c2)OC1(C)C 2282856750 XNBKPRMYIPKWCI-ZDUSSCGKSA-N 401.359 1.734 30 10 HDEE CC[C@@H]1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282880628 LPWWKALDNDYDIG-OLZOCXBDSA-N 400.375 1.856 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2298372770 WTHSQGTWFCSYKA-FPMFFAJLSA-N 418.303 1.447 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C(F)(F)F)cc(OC)c1OC 2331129346 KTFWRSXIGWREDQ-UHFFFAOYSA-N 419.385 1.782 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCC1 2342097648 NVVOUPBTORJWOL-NRFANRHFSA-N 419.499 1.690 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]2COC[C@H](C1)[C@]2(N)C#CC(C)(C)S(C)(=O)=O 2365254684 QGXQLRWYSBUQDA-QREGMYRUSA-N 400.541 1.460 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367787422 LOTUIXMDZDKPCH-BZUAXINKSA-N 401.525 1.590 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789761 FFEHEOMTAZRQCD-SUMWQHHRSA-N 401.481 1.436 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367793459 VWJUAZGHUZMIPS-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367854673 AJSXQSFZUBNVEB-YJBOKZPZSA-N 401.525 1.827 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 7936340 JNEWUBAZRRURFZ-KGLIPLIRSA-N 419.459 1.441 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 29009290 URROQZJMSXBERH-INIZCTEOSA-N 424.482 1.730 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 111047854 WFWBRYMHZYBXAS-CQSZACIVSA-N 408.480 1.552 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc(C(=O)O)cc2)C1=O 252460723 HRTOMKVDBVBEIR-UHFFFAOYSA-N 412.387 1.551 30 10 HDEE Cc1cc(C)c(-n2nnn([C@@H]3CC(=NNC(N)=S)[C@H]4OC[C@H]3O4)c2=S)c(C)c1 254588572 CXYFULPYEICJMC-NFAWXSAZSA-N 419.536 1.599 30 10 HDEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 301787696 MNHKGVTYFOVABH-HNAYVOBHSA-N 410.522 1.396 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(F)c2)CC1 326074541 IMBRVDJEKBWRFE-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccc(F)c4)no3)C2)CCO1 409583841 WMEPRTZBXAIGAO-GDBMZVCRSA-N 421.454 1.524 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccn2)C(=O)OCC)cc1 430511680 WZWXQOCLHKPATA-SFHVURJKSA-N 417.487 1.450 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1CCC(C#N)CC1 441148560 NWBHFYTUHQVEBU-UHFFFAOYSA-N 421.519 1.776 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)CC1 443328543 GRKFLTAFVPGBAY-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE CCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460188174 SQADDGLWONFGKQ-UHFFFAOYSA-N 400.508 1.841 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCCC1 476610618 XQVXWMYQDZPLRG-UHFFFAOYSA-N 415.512 1.869 30 10 HDEE C=CCOc1ccccc1CNS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480670797 WVSCDVGFLKEFNQ-UHFFFAOYSA-N 402.538 1.342 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCSC[C@H]2CCO)c(C#N)cn1CCOC 481418429 YELNEROEXZPVEI-CQSZACIVSA-N 410.496 1.515 30 10 HDEE CC1(C)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@@]2(CCOC2)O1 485095214 NGHLXSUBNPSFGW-LJQANCHMSA-N 409.389 1.895 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCNC(=O)c3ccccc3)C2=O)cc1 487075819 IODBYNJDLFVVEJ-IBGZPJMESA-N 405.458 1.388 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@H]1[C@@H]1CNC(=O)C1 490646440 FFVKKRPAZMHSEC-HKUYNNGSSA-N 415.538 1.942 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1=O 499417437 VPKNSRZIRXOYCP-LBPRGKRZSA-N 405.208 1.107 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CC(C)C)nnc12 502594139 GXFWEHNJFJSJAY-CQSZACIVSA-N 415.519 1.846 30 10 HDEE C=CCNC(=O)CN(CC(=O)NCC=C)S(=O)(=O)c1cccc2cc(C)cnc12 507444351 UFFJRAXPXQEOJC-UHFFFAOYSA-N 416.503 1.138 30 10 HDEE CC1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 507827391 GCPAJEPUJRKTRV-UHFFFAOYSA-N 407.492 1.669 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC3CCC(C#N)CC3)CC2)c1 508364915 ZZIXEYUQERZMRD-UHFFFAOYSA-N 418.563 1.893 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 508670114 KWZPPBCIABPLKQ-BBRMVZONSA-N 412.450 1.986 30 10 HDEE CCOC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 508952687 WEZBMKJEPYEVPJ-UHFFFAOYSA-N 414.487 1.570 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccncc2OC[C@H]2CCOC2)CC1 514135603 COECVAGQERBWDB-KRWDZBQOSA-N 422.489 1.795 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)Cc2cccc(C#N)c2)c1 530674441 BTGIIFVDPDWBSE-ZDUSSCGKSA-N 400.460 1.152 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 533598015 RRZUYULBGKAGGF-OAHLLOKOSA-N 424.954 1.797 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN([C@@H]4CCCC[C@@H]4O)CC3)CC2)n1 545509400 WEOPEJCRTOLCGC-UXHICEINSA-N 412.538 1.553 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1C#N 561518726 BEYPWRHPQHUSOX-JTQLQIEISA-N 407.311 1.376 30 10 HDEE CC(C)N=c1[nH]c(=NCCO)[nH]c(=NCc2ccc(-c3ccccc3C#N)cc2)[nH]1 563714368 KKXCOAXBRFFUDC-UHFFFAOYSA-N 403.490 1.513 30 10 HDEE Cc1cccc([C@H](C(=O)O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 589975902 PVDSDQAESPUVKX-LJQANCHMSA-N 414.487 1.702 30 10 HDEE CN1C[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 590443040 JRKNCTMCHAXNPE-HKUYNNGSSA-N 402.520 1.121 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C#N)cc2F)cc1 609230993 GKBKXYNGERJLJX-LBPRGKRZSA-N 418.450 1.639 30 10 HDEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730143129 UMFYGHFKRJTDJA-MRXNPFEDSA-N 410.515 1.862 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CCN1C1CC1 732652306 VJPZDPGTHPNHBU-CYBMUJFWSA-N 401.268 1.842 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1C#N 747497681 ISSVHMWOGADBGN-UHFFFAOYSA-N 417.429 1.810 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2COc3ccccc3O2)C1 758311177 VAJQEOLYAWBDOH-KKUMJFAQSA-N 402.451 1.885 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 760125613 HYWOVRSGKICGPT-CVEARBPZSA-N 415.498 1.376 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763461150 RXCDCLNMWBOBHP-UHFFFAOYSA-N 417.494 1.137 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cccnn2)C1=O 766421495 WXICBEGTIPXJHP-KRWDZBQOSA-N 412.519 1.676 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](O)CN3CCCCC3)ccc2c1=O 771660428 QQBPTDKLXGBUFO-OAHLLOKOSA-N 402.520 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 778071375 BXNYKNWNUSTNOF-UHFFFAOYSA-N 423.491 1.779 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 784899247 UBQRRRXMAXETSF-UHFFFAOYSA-N 411.436 1.496 30 10 HDEE O=C(OCC#Cc1ccc(C(F)(F)F)cc1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 785658238 CHDSRGNMPCDNBO-KRWDZBQOSA-N 424.419 1.781 30 10 HDEE C#CCN(C(=O)NCCCCn1cc(Br)cn1)[C@@H]1CCS(=O)(=O)C1 792222983 WRWMTAAIHUTWTI-CQSZACIVSA-N 417.329 1.258 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NCCNc3ncccc3C#N)CC(=O)N2C(C)(C)C)cn1 795032516 ROWWVABAWPRSSD-FUHWJXTLSA-N 409.494 1.603 30 10 HDEE C[C@H](OC(=O)c1ccnc(C#N)c1)C(=O)NCc1ccc(CN2CCOCC2)cc1 795970367 CQOQVVAHPCELEB-INIZCTEOSA-N 408.458 1.647 30 10 HDEE CN(C)CCCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCF)C1=O 797812226 JFQQFEUDRVLPOX-INIZCTEOSA-N 405.499 1.917 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)cc1Br 798832376 YSQUWSLPRYWOEM-SNVBAGLBSA-N 412.269 1.595 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCC1CCC(C#N)CC1 799836786 CCUSPRGHCIITEO-UHFFFAOYSA-N 418.519 1.272 30 10 HDEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N1CCN(c2ncccn2)CC1 803921698 HBYUFJDQJYUOOO-HNNXBMFYSA-N 423.448 1.799 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 806391412 WYCLIPRWTHIGSE-UHFFFAOYSA-N 408.501 1.030 30 10 HDEE COc1cc(CNC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)ccc1C#N 812544604 UKLRTKOJRHCSNN-KRWDZBQOSA-N 417.510 1.917 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H](C)Oc3ccccc3C#N)C2=O)c1 813547414 QAIXLZGKULVCGO-LRTDBIEQSA-N 408.414 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(CC(=O)NCc3cccc(C#N)c3)CCO2)C1 814664249 NXPOEKJYNGCERG-UHFFFAOYSA-N 400.479 1.496 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2sc([C@H]3CCCOC3)nc2C)CC1 815439193 GJIKDVDPWRGWQV-INIZCTEOSA-N 404.536 1.243 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NC2(CS(C)(=O)=O)COC2)s1 1130776869 JYWXKHMOADIICB-UHFFFAOYSA-N 410.970 1.768 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1136978070 XYTNODMMJGHHLD-HNNXBMFYSA-N 409.531 1.372 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1141398667 IDGSANAJFLHWDQ-DOTOQJQBSA-N 419.503 1.696 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1143499745 NFGREHOVMKRXLL-ZWKOTPCHSA-N 406.504 1.038 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1c(C)oc2nc(O)n(-c3ccccc3)c(=O)c12 1152129069 UNBJOPQSUAXJCR-UHFFFAOYSA-N 410.386 1.522 30 10 HDEE C=C(C)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1153509780 KPEXHWJFVCFFHH-SJORKVTESA-N 412.446 1.777 30 10 HDEE CN1CCn2c(CN(C)c3c(C#N)cnc4c(F)c(F)c(F)cc34)nnc2C1=O 1164130664 ACFXPNBOHGTMCS-UHFFFAOYSA-N 401.352 1.837 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)c1cc[nH]n1 1164394919 WFXPIPGILUZPHJ-NRFANRHFSA-N 413.478 1.474 30 10 HDEE CO[C@@H]1COCC[C@H]1N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1175750426 UEHISNCZTIETAH-HSALFYBXSA-N 404.486 1.270 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCC2 1177740238 DUXLPVZNDQLSCB-INIZCTEOSA-N 415.519 1.599 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(Br)c(C#N)c1)CN1CCN(C)CC1 1186919672 FPRWCARPAPKEIW-CYBMUJFWSA-N 415.357 1.483 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C2=O)cc1 1189887683 BSFGSLXGZMJJGQ-MRXNPFEDSA-N 412.427 1.484 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)C[C@H]2CCO)n(C2CCCC2)c1C 1197992445 ZCJKNKHWYDKEKL-QGZVFWFLSA-N 422.551 1.512 30 10 HDEE CCN(CC)CC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1256405202 QNAPVLMQBOFURL-LJQANCHMSA-N 424.505 1.860 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286319412 HXHLQVBHSNZKNW-UHFFFAOYSA-N 407.522 1.544 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2ncc(F)cn2)CC1 1286355851 CDKXRGQJQYOHDI-UHFFFAOYSA-N 423.500 1.809 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCCC1 1286368599 WKYFNFURECPTAU-UHFFFAOYSA-N 405.510 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286429179 HIVCWOTZAKTCIS-FHWLQOOXSA-N 412.538 1.191 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1286607365 GMYZFUARDPLFRZ-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1286711330 NCBWAVVWDIQFKK-JXFKEZNVSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1286718142 YVEJVKNSQKFYMH-UHFFFAOYSA-N 411.466 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(OC)C1 1286823555 WFDYZWYCXVEWJS-HXUWFJFHSA-N 419.551 1.870 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1288524501 DJEGAYDZUXURRK-HNNXBMFYSA-N 402.524 1.970 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1293860917 PKRPTNOFPLCJHV-AWEZNQCLSA-N 411.510 1.928 30 10 HDEE CCN(CC)[C@H](C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1295390161 KOEXUGZKYIENDS-OPYAIIAOSA-N 420.558 1.778 30 10 HDEE C[C@H]1CN(c2cccc3cnccc23)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1297220148 BISJZNZYQCKQCD-AWEZNQCLSA-N 404.430 1.106 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300296565 ZMQMKIIQPFGEQJ-HNNXBMFYSA-N 419.489 1.005 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1300313425 HQXYAGBFQPNHHK-ORAYPTAESA-N 424.473 1.155 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300485122 UJUVMUVDFOUHCD-MRXNPFEDSA-N 416.551 1.543 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1300495421 HIDJDCKWIJBODJ-QWXGXRTQSA-N 414.597 1.262 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1300504405 NEVGMFNMCZQZBY-MRXNPFEDSA-N 410.540 1.401 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)OCCO2 1300512111 NKCUQGKLROFNDZ-QGZVFWFLSA-N 410.474 1.894 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300625346 FLMBQHORGHFTQM-HZPDHXFCSA-N 415.460 1.895 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1300697701 HVTLZPKDZOPRNA-WSTZPKSXSA-N 414.554 1.436 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1)C1CC1 1301323763 URUSKNHLMUEJLN-LJQANCHMSA-N 415.586 1.658 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301500890 QNWXKGUAALYAKT-IAGOWNOFSA-N 415.498 1.133 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1301519078 MJQFWNQXEVXRDC-UHFFFAOYSA-N 418.498 1.118 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)F)C1 1301567306 UZIFGRJSNOOGGM-HNNXBMFYSA-N 423.468 1.302 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1303636833 RCUHFEHXEJRPHA-KGLIPLIRSA-N 405.503 1.882 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1303643412 UYPBYRMEPJGHID-SOUVJXGZSA-N 419.530 1.875 30 10 HDEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1305379622 DBQZFZYUYSZOGD-YWZLYKJASA-N 417.535 1.849 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)OC)Oc3cc(F)ccc32)c1 1307891398 QZECHAGEEMPVFK-SFHVURJKSA-N 411.389 1.896 30 10 HDEE CCOC(=O)CC1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOCC1 1307961660 HZRCDQPGJBJOLE-UHFFFAOYSA-N 411.462 1.774 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)C1 1310367521 KGDPWPJLIZFGAX-CRAIPNDOSA-N 400.479 1.587 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H](c3ccccc3)N3CCOCC3)CC2)cn1 1311435048 FXBNRJQTKYVXHH-QFIPXVFZSA-N 420.517 1.858 30 10 HDEE C=C[C@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1313041183 XQLNPBIBXJSESB-OAHLLOKOSA-N 412.531 1.471 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 1313413013 LFRRNNMUHCKWFR-IBGZPJMESA-N 412.542 1.806 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1314700308 AKJDPXDXSPJGHD-OAHLLOKOSA-N 401.492 1.762 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1315092039 DPXGFWUVOONEBI-UHFFFAOYSA-N 405.462 1.988 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1316285416 OTUROYUQSJWMBT-IQZZMMBJSA-N 411.503 1.355 30 10 HDEE COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1C#N 1353618033 CYPSRYXCVGLSNY-UHFFFAOYSA-N 414.487 1.755 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccccc1Cl 1358977455 MTSSFNKKGDBODL-UTKZUKDTSA-N 411.893 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1358978993 ZRNYNUZIZZRRQL-RBUKOAKNSA-N 408.506 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCC(C)CC1 1359018496 SERPTYLRGYVPGH-IBGZPJMESA-N 416.570 1.721 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2OCCC2(C)C)CC1 1359027941 AZPWGUKYKCJROX-KRWDZBQOSA-N 400.527 1.084 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)CCC)CC1 1359044416 FSXUYEKUXLUAMM-GCJKJVERSA-N 417.554 1.689 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccco2)CC1 1359046940 LKWXVEZIWRWFNX-UHFFFAOYSA-N 410.478 1.008 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1359057917 MMIUEVXBRJUOKH-INIZCTEOSA-N 408.593 1.860 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359226242 ANGCTBABEQMXSD-FUHWJXTLSA-N 413.526 1.624 30 10 HDEE C=CCN(c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359250522 MWFNPGMAFRXPQR-NVXWUHKLSA-N 409.556 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1C(C)(C)C 1359335396 KQFDFIINHPUPAH-INIZCTEOSA-N 413.588 1.333 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)Nc3nn(C)c(C)c3C#N)CC2=O)cc1OC 1437099188 JLIQJJJAAVZYDA-OAHLLOKOSA-N 411.462 1.647 30 10 HDEE C=CCC1(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCOCC1 1437485541 YMHILGVVXKPSQX-UHFFFAOYSA-N 414.549 1.553 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 1447208765 SCBZHYBHZGMOFI-JVMRMLDLSA-N 412.446 1.139 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1447978625 JEECWUPZSUKYFQ-HNNXBMFYSA-N 418.498 1.148 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1448578288 SWDZXRIUTHELJX-IKGGRYGDSA-N 409.527 1.847 30 10 HDEE Cc1cc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(C)n1-c1ccc(C#N)cc1 1452257797 INGIFXJYFANCRL-NRFANRHFSA-N 413.499 1.996 30 10 HDEE C=CCCn1cc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nn1 1459579887 CHCHJBZZILXTJR-LJQANCHMSA-N 420.491 1.466 30 10 HDEE C#C[C@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1460133516 ULYDLXOSDCTIGH-OXQOHEQNSA-N 407.536 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464920787 AWLNYLIYBIJNOZ-SCDSTIRESA-N 418.494 1.809 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1 1472325734 SWWGGKQVTXCCBH-UHFFFAOYSA-N 419.547 1.051 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCN(C(=O)C2CC2)CC1 1475201205 CTWLDFPZWNSFDB-UHFFFAOYSA-N 412.309 1.954 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)CC2)c1C#N 1478955550 LXKJCHJCSJSDGQ-QGZVFWFLSA-N 407.478 1.020 30 10 HDEE CCOCc1nnc(N(C)C2[C@H]3CCC[C@@H]23)n1CCN/C(O)=C1\N=CC=CC1=O 1503007519 OCKKWFWZIHAHQW-IQYBQBLBSA-N 400.483 1.576 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1C[C@@H](C)O[C@H](C)C1 1504887807 DUQMNDUAONMIES-INMHGKMJSA-N 404.515 1.799 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C)CCOCC1 1505082565 QHYQFYXGYDUZFW-ULQDDVLXSA-N 405.499 1.548 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC[C@H]2COCCO2)CCO1 1505323839 ZBRGBWNWQHJFFA-GJZGRUSLSA-N 419.432 1.681 30 10 HDEE C#CCCCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507573125 BMCGJGGATJQKAJ-NRFANRHFSA-N 403.527 1.826 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507595692 UQVWIAUUVHRYKB-SFHVURJKSA-N 404.474 1.953 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C)n(C)c1=O)[C@H]1CCS(=O)(=O)C1 1507623061 OMKSPTOUHHLKLO-KRWDZBQOSA-N 417.535 1.084 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507630616 DDWVTKPTGBXBRC-IXDOHACOSA-N 417.535 1.451 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1507634186 MACDYYTWYFZDRG-WIYYLYMNSA-N 416.547 1.765 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507688032 YIBMDDQFBQPYHX-INIZCTEOSA-N 407.453 1.678 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2([S@](C)=O)CCC2)CC1 1507719545 OPEBWRMYSWENOX-ADKRDUOOSA-N 423.583 1.059 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCNC(C)=O)CC1 1507739596 JCVZNPQJFMWKLT-UHFFFAOYSA-N 414.554 1.503 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1507748776 RUMDHXRWIGQUPR-UHFFFAOYSA-N 400.508 1.002 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1507843518 NLIVPWXQESRJJH-CYBMUJFWSA-N 407.906 1.845 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1507923263 NWCYUULOBCVIIE-UHFFFAOYSA-N 418.567 1.948 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507993235 JDJMBECTSILICT-HNNXBMFYSA-N 410.540 1.267 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nnn(C)n1 1508040630 WNAXFNSDJDWSBP-UHFFFAOYSA-N 407.482 1.647 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1508079524 YEOJJGDGJREKBU-SFHVURJKSA-N 410.522 1.990 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H]1CCSC1 1508085406 UKLFEOMGLSFYNK-MRXNPFEDSA-N 411.535 1.761 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1508090520 OIOJUFKCPOZWNL-SFHVURJKSA-N 404.559 1.785 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508732899 GUOYUDOWIZCYFW-LJQANCHMSA-N 410.522 1.747 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)CC1 1516040758 BRYPVSMTGCFNGI-UHFFFAOYSA-N 420.477 1.877 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1524133189 IDWYMAOBJSVSGB-UHFFFAOYSA-N 400.460 1.037 30 10 HDEE Cc1nsc(N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)c1C#N 1525008072 JNWVJCBOSUMEKP-GOSISDBHSA-N 401.423 1.892 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1cccc(Br)c1 1527510590 OBEMEWSOXQBJIR-NWDGAFQWSA-N 405.212 1.144 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1537432206 AOUPJWPFXOXFGX-KBPBESRZSA-N 410.496 1.931 30 10 HDEE Cc1cc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)ccc1F 1538308628 MZIUHPKMSGNRLR-LIRRHRJNSA-N 418.450 1.514 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)s1 1538862210 QYGZMMXNYRDITM-QGZVFWFLSA-N 419.528 1.925 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1539266885 UREGXJHQPXKSLL-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1539291647 ULGQMDVRUKYOIU-XMSQKQJNSA-N 413.522 1.607 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1539434308 HUKFMSSCBSBHDL-QFIPXVFZSA-N 408.506 1.187 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(COC)CCOCC2)CC1 1539443904 ANXHMZUFPZPXOO-UHFFFAOYSA-N 412.538 1.482 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@](C)(O)C2CC2)CC1 1539453834 SMCDTFCFJZKLQO-QHCPKHFHSA-N 409.534 1.794 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1539632433 RUXZVJOOXDBVDP-KSZLIROESA-N 418.542 1.962 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539770834 QSYWZZCHTMPBIL-IBGZPJMESA-N 408.934 1.568 30 10 HDEE C#C[C@H](NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C1CCOCC1 1539807975 NRAGNWZWNQRLLQ-HSALFYBXSA-N 400.475 1.957 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(=C)C 1540201221 QSQBHZFMCYCWNI-KZNAEPCWSA-N 424.567 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CC=CCC1 1540897558 MJYWSTSUHVJUKA-KRWDZBQOSA-N 421.567 1.907 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](COC(C)C)C2)n1Cc1ccc(C#N)o1 1541681106 KLAMHJQEMYINJH-KRWDZBQOSA-N 416.482 1.559 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(F)c(F)c1 1541920960 HXVDVXHSTIBIGQ-LBPRGKRZSA-N 424.477 1.955 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(CCN2CCOCC2)c1 1542919693 VLRNBPDFSHPIGN-KRWDZBQOSA-N 405.499 1.461 30 10 HDEE N#Cc1c(CCCNC(=O)c2cc3n(n2)CCC[C@@H]3O)nn(-c2ccc(F)cc2)c1N 1543679437 OHMYACRPKPBSGH-IBGZPJMESA-N 423.452 1.852 30 10 HDEE C=CCc1cc(CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)cc(OC)c1OC 1544362536 HNPGBYPCCWYWMJ-UHFFFAOYSA-N 420.491 1.193 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1n[nH]c(C)n1 1545460446 AQPPBCLDQFXKLR-LBPRGKRZSA-N 407.482 1.996 30 10 HDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1)C1CC1 1547582638 HILJTSZBBSYMNY-LJQANCHMSA-N 423.521 1.252 30 10 HDEE CCOCc1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1548091024 JVHQPVSWOQJNMJ-VHEBQXMUSA-N 418.498 1.204 30 10 HDEE CNC(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1554486198 GOIQSBHXYKDVKZ-BEFAXECRSA-N 400.414 1.369 30 10 HDEE COC[C@@H](Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1555254492 XHDZFBBLWNWCQN-MRXNPFEDSA-N 421.461 1.536 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1555636382 JLBXRAUCMANXNN-LPHOPBHVSA-N 422.505 1.309 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 1557328788 QQUQIFRPVGTTFQ-KYJSFNMBSA-N 424.519 1.628 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)C(=O)OCC 1557934349 JFHWJFRXEFDSNL-OAHLLOKOSA-N 402.900 1.772 30 10 HDEE C[C@H](CC(=O)NC[C@@H](O)Cc1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1558392467 LPCWCRPIQLQIIV-CJNGLKHVSA-N 419.478 1.363 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1558602225 JJOXYWFWOPJTLK-AWEZNQCLSA-N 402.270 1.112 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)N1CC(F)(F)F 1559041841 CIDFXJDQCVGIEF-BETUJISGSA-N 418.441 1.320 30 10 HDEE C=C(C)CCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1580007488 CZLPPJUIQHEEFS-SGTQZHETSA-N 403.523 1.237 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C2=O 1583811839 NQWJWARWHQYTRI-TUAABQIMSA-N 412.490 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccncc3)n[nH]2)s1 1584089548 CTFOABADBKJBLQ-UHFFFAOYSA-N 404.477 1.574 30 10 HDEE CC(C)(C)c1nnc2n1CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1585364309 PKLZXUOWODDRKW-UHFFFAOYSA-N 405.455 1.668 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 1586573707 URUHZZPHHDLPEX-KRWDZBQOSA-N 401.511 1.766 30 10 HDEE CC(C)(CCC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1587277342 CZLDZWWSYPOASJ-UHFFFAOYSA-N 409.508 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1587661558 FCWGDXIRQNUEPG-ZWKOTPCHSA-N 420.517 1.912 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1587979765 ZORRTSGZWJDRHS-UHFFFAOYSA-N 408.462 1.595 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1587999175 RUCDRCGRMRZEDY-OAQYLSRUSA-N 412.563 1.541 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588075172 ZSUOQDWJFLOHRQ-DLBZAZTESA-N 408.524 1.349 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC)C1 1588219420 SOHRSRYUNKUTBU-KRWDZBQOSA-N 408.506 1.811 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(C(N)=O)C1 1588974834 CTGSPQKNZYZXMW-LJQANCHMSA-N 406.556 1.265 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1CC 1589149946 BHPOWINIDMXWBR-FRQCXROJSA-N 408.572 1.365 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1589545672 ONNREVBHYBXWBK-IKGGRYGDSA-N 412.556 1.634 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CCOC)C(=O)C1 1589569238 OFQJACOOJWVQND-VQIMIIECSA-N 407.515 1.091 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1593624854 BDNQZBUOGYPNOD-INIZCTEOSA-N 401.540 1.892 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593932003 BYELQIMMZBNDQB-HNAYVOBHSA-N 424.933 1.627 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1594798366 QCWBXMUQIOQUIZ-QGZVFWFLSA-N 412.494 1.760 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1594907160 PQFCYOHQPZVRIR-QGZVFWFLSA-N 400.508 1.863 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1594943007 JGDBAGFDRQPAMH-OAQYLSRUSA-N 410.478 1.449 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1595576938 CJPNHZIKYAHQMD-UHFFFAOYSA-N 405.462 1.771 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1596978639 RHJXUPXILGNFGJ-DLBZAZTESA-N 415.494 1.992 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597372475 YPMXIUXNEHBMLV-KSMMKXTCSA-N 411.524 1.419 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1598055053 PLCDVMVKBWPHFD-OAHLLOKOSA-N 411.510 1.679 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccccc3F)CCO2)cc1 1598187194 YBMSIXAJVZNNAH-SFHVURJKSA-N 417.462 1.966 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1606958619 POZBHMWTIGIAKA-MGPUTAFESA-N 401.515 1.474 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@H]1CCCO1 1608405067 CIBHZDDZFIMLJB-BEFAXECRSA-N 408.478 1.444 30 10 HDEE COC(CN(CCCO)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)OC 1617156125 YOQDMCGSELTCRU-UHFFFAOYSA-N 402.413 1.476 30 10 HDEE CSc1nc(O)c(C(=O)Nc2cnn(C)c2I)cc1C#N 1617462093 VFPJIIDUCNJBNG-UHFFFAOYSA-N 415.216 1.971 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1618514802 LOWTUWVOYZTBCK-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@@H](C)O1 1619736408 BHJXSFPWVWMGCQ-QAPCUYQASA-N 408.466 1.349 30 10 HDEE O=C(CN1CCC(O)(COCCO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1620594219 KPAVZCCOZJEDSW-UHFFFAOYSA-N 414.424 1.009 30 10 HDEE CC1(C)C[S@@](=O)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1622032571 GBWQNAUKKXQBOK-NRFANRHFSA-N 409.302 1.991 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 1622301342 OGWDAEJJGSHKAK-FUHWJXTLSA-N 404.492 1.535 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 1623197315 JHPUJCDXSYJKNJ-DGCLKSJQSA-N 412.441 1.661 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1623649698 CFKVGTXVGMGZNT-RBSFLKMASA-N 401.529 1.998 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1625885990 ZUGNCHAFJQVHOY-LVQVYYBASA-N 413.540 1.665 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)CC1 1626032988 RQDIWPOICVBSMT-UHFFFAOYSA-N 414.447 1.466 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c1 1629727692 UMUAZFURJCAJPG-WMZOPIPTSA-N 401.488 1.867 30 10 HDEE C#CC1CCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1630856048 BUXNPWRVXDAOQI-UYAOXDASSA-N 404.532 1.806 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(c3ncccc3F)C2)s1 1631099654 IPZUSGMQHUOANL-ZDUSSCGKSA-N 424.523 1.684 30 10 HDEE CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1632688505 SZSSQKDZIGYXQL-JFIYKMOQSA-N 409.508 1.174 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1634306712 QPXCZCVNPIZPKV-GJZGRUSLSA-N 403.545 1.776 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1ccc(Br)cc1C#N 1634789521 BDPDLOKTSLKANC-QMTHXVAHSA-N 400.298 1.768 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc(CC)[nH]1 1635606137 CPGOWVJOYUKMSL-OAHLLOKOSA-N 403.508 1.886 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636622587 KLINZVMVHSSDNV-GHMZBOCLSA-N 421.338 1.164 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 1637662938 KNZOFUADPRITHS-XJKSGUPXSA-N 420.288 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1639618479 YQKHTPLKIQKQPP-BKJYESAMSA-N 406.483 1.711 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NC(C)(C)c3cccc(C#N)c3)c(CCO)c2=O)n1 1641320131 ZATVWPZIYNAZFL-UHFFFAOYSA-N 420.473 1.644 30 10 HDEE N#Cc1cn(CC(=O)NCc2nc3cc(Br)ccc3o2)c(=O)nc1O 1641939169 DSAHETHVKFPVNM-UHFFFAOYSA-N 404.180 1.041 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)C(OC)OC)CC1 1643769091 YGLDZPMZGWRDIM-MRXNPFEDSA-N 418.494 1.093 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)C1 1644321936 VOIDNUZYOGRYQH-ORSSHNKESA-N 405.495 1.693 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)COc3cccc(C#N)c3)C2)nn1 1644424776 IAQLHVLIAGCAQY-UHFFFAOYSA-N 412.450 1.637 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NC)ccc2Br)CC1 1644947342 BQDSZLUMIGGZOA-UHFFFAOYSA-N 414.325 1.185 30 10 HDEE C[C@@]12CN(Cc3ccccc3)C[C@@H]1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1644959577 VEHQDCKKHIBVOS-GCJKJVERSA-N 407.474 1.191 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCOC3(CC(C(=O)OC)C3)C2)c1 1645182712 BILPVFLYELNHGU-BATSVXPKSA-N 419.499 1.714 30 10 HDEE O=C(CNS(=O)(=O)c1ccccc1C(F)(F)F)NCC#C[C@@H]1CCCCO1 1647805300 WIPZWGXOFQOOLZ-ZDUSSCGKSA-N 404.410 1.672 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)n(C)c2n(C)c1=O 1647923342 RJMVRCXYXZECHZ-UHFFFAOYSA-N 420.473 1.164 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]2OCCNC(=O)[C@@H]21 1648123627 ISWPPVLIEWOMGP-IDHHARJASA-N 402.520 1.856 30 10 HDEE N#C[C@@]12CN(C[C@H](O)COc3ccccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1648415243 GGEIIGVXSDIVOJ-XEZPLFJOSA-N 404.410 1.315 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H](F)C1 1649068364 DFVWUXHYLPGBBG-MSPKJWORSA-N 410.446 1.367 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2cccc(CC#N)n2)C1=O 1650946215 NSMHAACYZUZZMV-OAHLLOKOSA-N 401.467 1.849 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 1651041627 CRLUJINPGXFWHI-UHFFFAOYSA-N 410.500 1.537 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@H]2CC[C@H](C(F)(F)F)O2)c1=O 1652137064 VMTUTWGWZTZVQM-VXGBXAGGSA-N 403.357 1.333 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 1655054300 AGZWTXXMZWSRAT-SANMLTNESA-N 412.581 1.618 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)C1CC1 1659355669 CEXQPDRLRHGXNF-OXJNMPFZSA-N 416.503 1.600 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)NCCn2cc(Br)ccc2=O)c1 1662205644 HJWQGOABSQQNHX-UHFFFAOYSA-N 414.256 1.741 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)C1 1663711999 GTUWXXOZOBLGHI-UULLZXFKSA-N 405.524 1.620 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)c2c(C)nn(C)c2C)cc1 1665968825 HILPXCAFBFDDSW-KRWDZBQOSA-N 421.523 1.699 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(CS(C)(=O)=O)CCC2)c1 1669755885 JERCGOCJFOEKBM-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1677395479 AZDXEQJRLYZCHM-QGZVFWFLSA-N 405.495 1.935 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)nn1 1683315274 MGYWZHCWSWJKOE-OAHLLOKOSA-N 419.283 1.979 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3COC4(CCC4)C3)CC2)cc1 1683674246 KSEYOPJXHUDYSX-MRXNPFEDSA-N 404.492 1.286 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1689851921 XQAAMDLLQKXPIW-ARFHVFGLSA-N 402.524 1.412 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(S(C)(=O)=O)CC1 1689910838 RUTIFTAQLYNFFL-UHFFFAOYSA-N 424.571 1.082 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689993174 XFXHTGWFOALQGK-QZTJIDSGSA-N 407.584 1.588 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1690465118 SDOWIBBXWHCISJ-KRWDZBQOSA-N 422.555 1.707 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1690508844 QSORREOMGIJLKO-QGZVFWFLSA-N 407.540 1.903 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)N(C)C)c1 1690526665 BLTNOXUPFSFPFT-KRWDZBQOSA-N 417.535 1.553 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC(C)(OC)C1 1690665471 FLHNPDSMNDGULS-UHFFFAOYSA-N 401.467 1.490 30 10 HDEE Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)n1 1696864493 KXGLQAFFWNLJIN-UHFFFAOYSA-N 415.479 1.355 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CCOCC2)CC1=O 1696882233 AARZJXWWHDYGNI-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE C=CCC1(C(=O)N2CCC3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C3)C2)CCOCC1 1702008207 FTUWAQUJTAFALK-LFDJNIOPSA-N 400.519 1.844 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H]2CCCO2)c1 1705505618 QUCWUKMPGMCURL-GOSISDBHSA-N 417.473 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCN(CC)CC1 1705579631 OEFXAJQFKCLFHY-UHFFFAOYSA-N 408.554 1.169 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1705580647 MGLJMJQBNJTQOK-GOSISDBHSA-N 405.458 1.396 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCCn1cnnn1 1705620540 WYIBIUWEIKVNHY-QGZVFWFLSA-N 410.457 1.638 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCO[C@H](C)C1 1705621754 NGDXSYQZSXARIN-IAGOWNOFSA-N 412.494 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCCCC2)CC1 1705649141 LVENSBQQJIQGQM-UHFFFAOYSA-N 409.538 1.725 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705832558 BEHKCPFDRFBLAS-HXUWFJFHSA-N 407.515 1.191 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1705832713 GAKPWUNVBCPDTP-IRXDYDNUSA-N 423.514 1.483 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1705912018 WUTSTLCSKPHPSQ-GOSISDBHSA-N 419.551 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705932470 UQKHMIBJLWAJAU-IAGOWNOFSA-N 419.551 1.747 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CC1 1706316261 QRBBZDBHVBSYMI-GDLZYMKVSA-N 413.551 1.906 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnnn2C)cc1C 1707518151 DNQMJCHNTLFQCY-FQEVSTJZSA-N 423.456 1.766 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)COC1 1712560996 FVUPWJNRAZBQIL-DOTOQJQBSA-N 404.515 1.215 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1712603752 ZEJXMSCYJAQDLO-GOSISDBHSA-N 413.478 1.495 30 10 HDEE C#CCN(c1nnc(CC)n1CCN1CCCC[C@H]1CC)[C@@H]1CCS(=O)(=O)C1 1722364661 ABKPZFKWQPGWAI-QZTJIDSGSA-N 407.584 1.732 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1722364779 AZCFZYNARJTNLB-INIZCTEOSA-N 421.567 1.020 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OCC)cc2)CC1 1722428780 APIPOHKGLMBHJV-UHFFFAOYSA-N 410.522 1.619 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1722435590 LHNYHITZLSPRBW-LJQANCHMSA-N 424.549 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@H]2C)CC1 1722440378 DWOUBNSOUVMGHP-PBHICJAKSA-N 400.527 1.743 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1722733048 WFEXNBJOCMBLEC-OLZOCXBDSA-N 405.615 1.749 30 10 HDEE C=CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722740642 YADOFKVAFCYFQQ-KXBFYZLASA-N 410.540 1.849 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccn1 1723940456 CGQMOJCYSQDNJT-KXBFYZLASA-N 417.539 1.656 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1740550178 PLZWKYSIZWLXLK-QZTJIDSGSA-N 401.559 1.105 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCO[C@@H](C)C1 1740610004 XAJDANNIWORTHN-INIZCTEOSA-N 414.510 1.576 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(=O)(=O)CC 1740758558 ZEQGTAQWZMXIEN-DOTOQJQBSA-N 422.555 1.531 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740885305 DARFCJDLTPLVGT-QWHCGFSZSA-N 403.405 1.589 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1740974000 AQAATSYXKXTKLI-DNVCBOLYSA-N 422.507 1.177 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C(C)(C)C)CC1 1740990772 ZGKSCOFJOJDXPO-UHFFFAOYSA-N 418.567 1.861 30 10 HDEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741000550 CJVJCHHMIVPVJJ-HNNXBMFYSA-N 404.540 1.002 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1748748221 VOWGBOZCXPZCMZ-MRXNPFEDSA-N 401.515 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1748882270 MZYCNGUVFQUGMT-KRWDZBQOSA-N 412.515 1.851 30 10 HDEE C#CCN(CC)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748907268 INQSLEBBFZODIB-RXVVDRJESA-N 416.547 1.829 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)nn1C 1748947935 ALWSAZCFVYQXPK-UHFFFAOYSA-N 408.466 1.102 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(=O)NCC)CCC2)CC1 1749000610 ZFZDMYHYZCLFRJ-QGZVFWFLSA-N 400.527 1.191 30 10 HDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOCC1 1749038218 ISRLXIRGZFXZQN-UHFFFAOYSA-N 413.551 1.655 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)CNC(=O)C2 1749232970 ZRFUGGQLMRRMEQ-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749652833 UGBDXLZPKXIDPQ-WZONZLPQSA-N 422.533 1.839 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCc2ccccc2)CC1 1749683009 GNAZBCQXCVOSQI-HXUWFJFHSA-N 424.549 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](COC)O[C@H](C)C2)nnc1C(C)(C)C 1749740774 YQPLHGQOWBXDHD-CABCVRRESA-N 400.545 1.417 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1750385462 OFFULOHTWKFGFX-GOSISDBHSA-N 416.526 1.802 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1751015982 UZCKDUNXIHQKCQ-OXQOHEQNSA-N 402.499 1.337 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)CC1 1760261111 KVTZRFYUKVGVTN-UHFFFAOYSA-N 413.913 1.252 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1760275501 YREJMYWBKNYEKS-UHFFFAOYSA-N 412.563 1.391 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760313328 MDYIGXHIOMNPDS-CVEARBPZSA-N 416.526 1.903 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760316976 YZOBTXKXUJMQTE-GVDBMIGSSA-N 411.572 1.853 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760328195 RXAUDGCFKDHTCK-DJPFJPOOSA-N 419.526 1.238 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CC(N)=O)C1 1760335434 MTWAOLSYQPGRDJ-NNFUDEMPSA-N 416.526 1.302 30 10 HDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C(=O)NC)C1 1760437811 OQOZJUSYLPGHIK-INIZCTEOSA-N 423.477 1.511 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccco2)C1 1760522400 SGHALANWFXJLSW-LSDHHAIUSA-N 419.507 1.069 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2ccccc2)CC1 1760525341 BTGCGTBMFUXWDF-UHFFFAOYSA-N 417.517 1.893 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1760692782 DMRFZBPRRIQEAM-GWVPAZBUSA-N 414.535 1.752 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1761292012 RYAINBNGISLGBA-XLIONFOSSA-N 406.531 1.388 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CC=CCO1 1761481695 SQXVYMPRTBSHTR-GOEBONIOSA-N 408.528 1.363 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@@H]1C 1769086063 NPMNKCSMVJHTOI-YOEHRIQHSA-N 418.523 1.227 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1769221972 KSGVMQIKOASONV-JOCHJYFZSA-N 424.505 1.585 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1770787206 SIHVEBIWWSKUHB-HZPDHXFCSA-N 400.414 1.442 30 10 HDEE CS(=O)(=O)CC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCOCC2)CC1 1771351646 BIFYRQQTZSZTNU-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE COc1ccccc1CN1C[C@H](C(=O)N=c2[nH]cc(C#N)c3cccnc23)CC1=O 1850693447 OVQMARLCSGHDRK-OAHLLOKOSA-N 401.426 1.919 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1)[C@H]1CCN(C)C1=O 1851342455 GMTQKTKXJLFGMI-KRWDZBQOSA-N 423.560 1.283 30 10 HDEE Cc1nn2c(C)c(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@H](C3)O4)cnc2c1C#N 1851425123 MIBSLXGKBSHFPR-KDURUIRLSA-N 416.485 1.943 30 10 HDEE CC(C)(CN1CCN(S(=O)(=O)C2CC2)CC1)C(=O)Nc1ccc(CC#N)cc1 1851761978 VTAYGELQVMFNCV-UHFFFAOYSA-N 404.536 1.827 30 10 HDEE CS(=O)(=O)N(C1CC1)C1CCN(CCNC(=O)Nc2ccc(C#N)cc2)CC1 1852414152 ZUWUNRGYGZYRML-UHFFFAOYSA-N 405.524 1.568 30 10 HDEE COc1ccccc1CN1C[C@@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852469183 WOPQPJWEYHYTDP-ZWKOTPCHSA-N 422.441 1.674 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[C@@H](S(C)(=O)=O)C3)C2=O)cc1C#N 1854106703 BMRVKQNSCFBYOZ-QZTJIDSGSA-N 403.504 1.507 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1=O 1854167080 CMWITUGNYDVZAZ-DLBZAZTESA-N 405.882 1.565 30 10 HDEE CON(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCc1ccc(C#N)cc1 1854826160 UEMOHWDBKHZEOY-UHFFFAOYSA-N 413.455 1.789 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(C#N)cc3)C(=O)O2)CC1 1855108023 HVOZSKZOMPLCTH-KRWDZBQOSA-N 405.476 1.969 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCCN(CC(=O)N(C)C)CC2)CCC1=O 1855127384 VVJJPFBYMMJHLS-RBUKOAKNSA-N 406.571 1.450 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc3c(c2)OCO3)CCN1CC(=O)c1ccc(C#N)cc1 1855147904 VSPCVLXBJULSHU-AWEZNQCLSA-N 405.410 1.843 30 10 HDEE CN(C)c1cc(N(C2CC2)C2CCN([C@H]3CCN(C(=O)CC#N)C3=O)CC2)ncn1 1855252961 PMINDIPYCIZZMH-KRWDZBQOSA-N 411.510 1.017 30 10 HDEE COc1ccc2c(C(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)cc(OC)nc2n1 1855435843 BCPMVLVKBMCQLR-AWEZNQCLSA-N 411.462 1.871 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@@H]3CCN(C4CC4)C3=O)CC2=O)c1 1855494673 YWIRNTSONLPLBF-QGZVFWFLSA-N 400.866 1.454 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1 1855935998 YJACJIRAGQJCCH-FQEVSTJZSA-N 404.474 1.692 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235087 AYFQXLOMSNATOC-GOEBONIOSA-N 402.474 1.228 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC(F)(F)C4(CC4)C3)ccc21 1856399829 WRGBTHTVNAJCPA-UHFFFAOYSA-N 409.414 1.826 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCC[C@H](N4CCC(CC#N)CC4)C3=O)c2n1 1856552133 YTBDSEFXXFHFJS-SFHVURJKSA-N 407.474 1.760 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn(C(F)F)c2)C1)[C@H]1CCN(C)C1=O 1857050553 LTHMWQIYQFZFMC-ZFWWWQNUSA-N 409.437 1.376 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O)c1ccccc1 1857149766 MJAPYBYCLFCUEP-HNAYVOBHSA-N 404.474 1.400 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2C(=O)OCC)c(=O)cc1C(=O)O 1857890271 OXCMLHROPWYSBC-UHFFFAOYSA-N 400.387 1.927 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCCC(=O)N(C)c2ccccc2C#N)c1 1858018847 OUFMHZUHYTYACJ-UHFFFAOYSA-N 403.460 1.907 30 10 HDEE C=CCNC1=C(c2ccc(C)cc2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863616960 MYTWZFFMYHJZEK-UHFFFAOYSA-N 411.483 1.698 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)n(C)n1 1870008841 JKGUNLWWAVCBJF-OAHLLOKOSA-N 410.478 1.994 30 10 HDEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870331968 ZJJAGCYHYGYMAW-UHFFFAOYSA-N 421.494 1.640 30 10 HDEE CCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870347763 SIVGIRJKVKZFMW-UHFFFAOYSA-N 410.518 1.819 30 10 HDEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(C(C)=O)CC1 1870668227 VHPDPUHETDMUNV-UHFFFAOYSA-N 420.554 1.737 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871602802 FULKBVAOSZLQOZ-UHFFFAOYSA-N 411.510 1.952 30 10 HDEE C=CCn1c(C(=O)NCCN(CC)CC)cc2c(N3CCC(CO)CC3)ncnc21 1873593893 WAXGEIDDQSGACI-UHFFFAOYSA-N 414.554 1.898 30 10 HDEE CC#CC(=O)Nc1c(I)ncnc1I 1884892236 SEPRVZNPWJQJEC-UHFFFAOYSA-N 412.956 1.648 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@]2(COCCN2C(=O)C#CBr)C1 2006267811 UEKPGIQGYYJDML-MRXNPFEDSA-N 403.273 1.207 30 10 HDEE C=CCC1(NS(=O)(=O)[C@@H]2CCC[C@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 2162442586 DBACWADXBTWMJR-ZIAGYGMSSA-N 402.513 1.813 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H]1CCNC(=O)OC(C)(C)C 2174781694 IIZHHXHYCUTJNC-GDBMZVCRSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1 2176034567 HWGHLXAMQAQCSD-GJZGRUSLSA-N 402.517 1.082 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H](C(=O)O)C(F)(F)C1)C(F)(F)F 2180570189 OXWONKCJOCSEJI-ANLVUFKYSA-N 400.222 1.554 30 10 HDEE Cc1nc(NS(=O)(=O)c2cncc(C#N)c2)ncc1I 2189861231 ORGVBLSKGHTHCP-UHFFFAOYSA-N 401.189 1.457 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217477456 XJKVMAGXRMCFQF-HOTGVXAUSA-N 419.331 1.967 30 10 HDEE C#C[C@]1(C)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2221415142 PZTPGHCWFOWKKW-RTBURBONSA-N 408.451 1.065 30 10 HDEE CON(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CCS(=O)(=O)CC1 2235433653 UXSOKRUMOMEZLT-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CCS(=O)(=O)[C@H]1CSCCN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2235502643 BOGUETSLSNESTA-AWEZNQCLSA-N 418.415 1.752 30 10 HDEE C[C@H](NC(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2243432002 RQWKSRYKVZFIRI-IHRRRGAJSA-N 410.320 1.955 30 10 HDEE Cn1ncc(C(=O)NOCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247778816 ILYRZUNODKIDIO-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE Cc1cc(C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2247920566 ZQLXIAXNAAVHTD-CYBMUJFWSA-N 424.303 1.503 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cccc(Br)c1C#N 2249530865 KLWBULSDVJQHBH-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267373582 FPHRVVLKEVIVDD-DEOSSOPVSA-N 409.360 1.480 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267375640 JYUXMTBMLVBXTP-JQWIXIFHSA-N 407.388 1.438 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267713896 SSBNUEBPMBFGIC-DEOSSOPVSA-N 407.388 1.484 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@@](C)(C#N)C1)NC(=O)OCc1ccccc1 2270519735 ZDIHIEBERYSEHC-APWZRJJASA-N 423.491 1.410 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1cccc(F)c1C#N 2281156143 ZIZOOBVUGVBYSX-UHFFFAOYSA-N 401.460 1.595 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1O 2282326191 OWQUOUNPDXMYPZ-OLZOCXBDSA-N 401.359 1.747 30 10 HDEE C[C@@H]1OCCO[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334052 WPZUHCRYMOQONS-NWDGAFQWSA-N 403.331 1.130 30 10 HDEE C[C@@H]1NCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282499377 CKELAGROAPTLNU-QWHCGFSZSA-N 400.375 1.559 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@@H]2CO)OC1(C)C 2282502173 HKEYVQNKJYBQQH-NEPJUHHUSA-N 402.347 1.023 30 10 HDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@H](CO)C1 2282611449 LFFDDRPXHFSYRT-NSHDSACASA-N 400.737 1.449 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)CC[C@@H]1C 2282825958 NYZZQBCBMRDGHY-WCQYABFASA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3COC[C@H]3F)c(Cl)c2)OC1(C)C 2282829720 JBDOGJKSUHUEOW-CHWSQXEVSA-N 405.684 1.654 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282841925 ZCXPFACHMRBQHX-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE C[C@H]1CN(C)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851142 YHEFKDOLDUJBOW-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE C=C(CS(=O)(=O)N1CC(S(=O)(=O)C(F)(F)F)C1)B1OC(C)(C)C(C)(C)O1 2282875891 VVNXMPRFELQWJS-UHFFFAOYSA-N 419.252 1.123 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](C(=O)O)C(F)(F)F)s2)OC1(C)C 2284403382 PMJHCCPVFINZRT-SECBINFHSA-N 415.220 1.341 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(C(=O)O)CCC2)OC1(C)C 2284407083 HAGPJMJRUVTSRG-UHFFFAOYSA-N 401.315 1.581 30 10 HDEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(F)c1C#CCN 2352960902 PKBKTXKEXRKSTC-UHFFFAOYSA-N 415.446 1.482 30 10 HDEE C=C[C@H](NC(=O)N(C)Cc1c(Br)c(Br)nn1C)C(=O)O 2364452838 YKISPBPGRWRFJL-LURJTMIESA-N 410.066 1.726 30 10 HDEE C[C@@H]([C@H](O)C#CC1(S(C)(=O)=O)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2367802819 FKODNHIUPGEFLA-JKSUJKDBSA-N 400.541 1.259 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CNC(=O)OC(C)(C)C)C1CC1 2367822325 DWKCHUZJWBNQKY-HNAYVOBHSA-N 400.541 1.211 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H](CC)NC(=O)OC(C)(C)C 2367824759 MZKKTVZMPBJJDT-OAGGEKHMSA-N 402.557 1.599 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3)n2)o1 59880860 ONOWJQOGNNMXCE-RGVLZGJSSA-N 400.468 1.995 30 10 HDEE C=CCOc1ccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)cc1 66227223 CJLQTTWRQWFHOI-SFHVURJKSA-N 403.479 1.580 30 10 HDEE Cc1cc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)ncn1 426915611 GVLLIXCEWHKUAI-UHFFFAOYSA-N 408.508 1.578 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 429307039 IUAXYEOFPGFCIW-HUUCEWRRSA-N 416.478 1.567 30 10 HDEE COc1ccc(O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 435878572 DDPJKCDNBIRFMT-UHFFFAOYSA-N 401.444 1.419 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 437870379 UKHXNJCAYMYBGC-VYDXJSESSA-N 412.446 1.611 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461304782 ZQBFTPZAYLTFDL-RNODOKPDSA-N 407.434 1.578 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)cn1 462087295 XSJDZMPEGBFREA-UHFFFAOYSA-N 416.445 1.592 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)n[nH]1 471056514 PIEGBRVTDGVBTH-CQSZACIVSA-N 422.489 1.987 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H](O)COc2ccccc2Br)CCC1 477466654 YPDPPPUTJMXMIR-LBPRGKRZSA-N 403.298 1.802 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H](C)Cn3cncn3)c(C#N)c2N)cc1 477949618 MCUVAKOAKJKJGP-OAHLLOKOSA-N 407.482 1.547 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 482147175 CLCYDILTLHRPOX-DOTOQJQBSA-N 418.519 1.086 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)co1 482553606 NITAKVNWTAFIIE-UHFFFAOYSA-N 402.476 1.476 30 10 HDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 492401305 VFXDMVLIOHHKAM-UHFFFAOYSA-N 419.425 1.835 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC(=O)NC3CCCCC3)C2=O)cc1 504918665 LHQKSEAQUCQHRZ-KRWDZBQOSA-N 411.462 1.328 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 505965449 JGLBPUJJTXAOSK-IAGOWNOFSA-N 402.495 1.011 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(COc2ccc(C#N)cc2)o1 517662933 CMJGCNWLLQCNAF-KRWDZBQOSA-N 410.430 1.197 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 520832482 KVJBELZPHYMVNA-INIZCTEOSA-N 404.536 1.453 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CCC(=O)NC(C)C)cc21 526909599 IMQVQPQREFYUSS-SUMNFNSASA-N 406.504 1.833 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1ccc(C#N)c(Br)c1 551220532 OWWBUHJFDZWIIB-SMDDNHRTSA-N 405.314 1.757 30 10 HDEE COCc1nc([C@@H]2COCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)no1 561250629 XAWZNTPWOIBPCF-PBHICJAKSA-N 415.425 1.653 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 569474992 RYXYSJLWVBXVDX-UHFFFAOYSA-N 407.536 1.922 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1 603828726 FPCOAJROKBYWOZ-UHFFFAOYSA-N 419.445 1.359 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)C1 609161655 WJEJZFUUHUXLDF-DOTOQJQBSA-N 419.482 1.947 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 611377078 ASVRANJWHNWJMU-LPHOPBHVSA-N 406.552 1.433 30 10 HDEE N#Cc1ccc(OC[C@@H](O)CN2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 613784843 LDPAUZMJUXSBQJ-SFHVURJKSA-N 413.499 1.375 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619751156 QLNYXMQUYJAMQA-GOEBONIOSA-N 400.526 1.371 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C 731730453 NEBPHYIIEDCWFA-ZDUSSCGKSA-N 402.538 1.912 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 732173679 CIZLLSWWHVIIND-KRWDZBQOSA-N 403.504 1.073 30 10 HDEE CN(C)C(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706045 CNUYNLYWXWEOSS-AWEZNQCLSA-N 403.870 1.179 30 10 HDEE C=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 734025068 ZOHTYHVMFRJCJT-UHFFFAOYSA-N 411.476 1.303 30 10 HDEE Cc1nn(C)c(C)c1OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 741739500 YZRPZUJMLKEBTJ-UHFFFAOYSA-N 402.476 1.915 30 10 HDEE CN(C)CC1CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 750445224 FQGAKHKUERYDQI-UHFFFAOYSA-N 406.552 1.742 30 10 HDEE Cn1cc(-c2nc3ccccn3c2NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cn1 757250071 DHLZZBNIVKKULV-HTXNQAPBSA-N 420.433 1.383 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)cn1 763459508 AGPODAGDSFLATE-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)c1ccc(C#N)cc1 764031984 HEHMFGYOBLRVJD-MRXNPFEDSA-N 405.432 1.644 30 10 HDEE C#CCN(C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 769143378 MHSJGACJEZWXNS-CVEARBPZSA-N 414.524 1.051 30 10 HDEE CCc1c(C(=O)OC[C@@H](C#N)Cc2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 772734138 CHEGOJLFUYIBMG-GFCCVEGCSA-N 412.471 1.795 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 774027686 HNIRORFGPMPAKE-SFHVURJKSA-N 403.504 1.967 30 10 HDEE C#CCN(C(=O)NCc1ccc(-n2nc(C)cc2C)nc1)[C@@H]1CCS(=O)(=O)C1 774164994 JZCRBCOUUJGIJQ-QGZVFWFLSA-N 401.492 1.216 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774195877 VCRLVIPFBZITID-RHSMWYFYSA-N 405.476 1.536 30 10 HDEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NS(=O)(=O)CCCC#N)CC1 778705736 FQXDROJLUVHKGP-UHFFFAOYSA-N 405.542 1.869 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc1 780892089 CIXQFAXALLOKQO-UGKGYDQZSA-N 423.469 1.582 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 782245332 OYKUXDRHMLLIJN-UHFFFAOYSA-N 419.484 1.398 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCCn2ccnn2)C1=O 784124889 CFRMLJXHKKGLML-OAHLLOKOSA-N 420.470 1.584 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](c2ccc(F)cc2)c2nccn2C)cc1C#N 785597960 HOUVGUGEGNNGTR-LJQANCHMSA-N 421.432 1.961 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3c(Cl)nc4ccccn34)CC2)c1C#N 788078359 UDUYJLSCMABEIE-UHFFFAOYSA-N 419.898 1.412 30 10 HDEE COc1nn(C)cc1NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 789053472 XRLYPUUQNYEKMW-RCCKNPSSSA-N 406.468 1.886 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CC[S@@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790664463 RNYGXLGUZVFURC-PIIWDFAUSA-N 413.584 1.855 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)CC1 796245040 FSXZNGOXJOIYHO-UHFFFAOYSA-N 424.530 1.753 30 10 HDEE N#Cc1cc(C(=O)NS(=O)(=O)c2cc(Br)cc3c2OCC3)ccn1 796841907 RRGWKONSPPTNOE-UHFFFAOYSA-N 408.233 1.769 30 10 HDEE CC(=O)N[C@](C)(C(=O)OCc1ccnc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 797514783 IQCCNQYURNPIHI-IBGZPJMESA-N 401.444 1.451 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c1 798741448 QJWLAAXNLACGQJ-RWMBFGLXSA-N 401.423 1.537 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c1F 799937222 LXLVFAHENAHNNO-UHFFFAOYSA-N 402.410 1.945 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(OCc3ccccc3)c2)CCN1C1CC1 800605533 NUSYDYHNZYOEQP-LJQANCHMSA-N 405.458 1.798 30 10 HDEE COC[C@@H](O)CNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 801671479 QDIFWISKTYJXLZ-OSGFXRFRSA-N 412.512 1.408 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 811500171 YOHDTRYZSDGVGG-OAQYLSRUSA-N 413.499 1.389 30 10 HDEE COCc1cnc(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)s1 814834096 PVSXVKPZPLPCCA-UHFFFAOYSA-N 409.537 1.672 30 10 HDEE Cc1cc(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)n(CCC#N)n1 1125485129 CCDIUHGAKITMOZ-UHFFFAOYSA-N 409.493 1.774 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(O)n(C)n2)c1 1141878153 OMLLWZVRVQIKBL-PGMHBOJBSA-N 405.480 1.971 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)c1 1151696860 YEFAXYVMIMCSOM-UHFFFAOYSA-N 413.503 1.359 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1C1CC1 1154443258 WHWDHSWWJYTCEZ-LSDHHAIUSA-N 402.451 1.037 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(=O)N(CC4CC4)C3)C2)C1 1155960220 XCFWSVQQVGOGTR-ZGOJQLDESA-N 402.495 1.812 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1158819895 WSESVEOBWIXLGC-ZBFHGGJFSA-N 406.508 1.536 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CCO1 1174993771 MSOQTCUHQQFWHA-PGRDOPGGSA-N 420.506 1.551 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(C(=O)NCC2(C#N)CCOCC2)c1 1180616604 HHTCKQDEBOINBH-UHFFFAOYSA-N 401.282 1.903 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)CC1 1185956469 BHUPMHQOVVJBAW-UHFFFAOYSA-N 412.313 1.130 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196689977 DRNMSCGTBBZWMW-CHWSQXEVSA-N 401.872 1.470 30 10 HDEE C#CCN(CC#CC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1248619831 GPEULWBJHLYJMT-INIZCTEOSA-N 411.524 1.079 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(Cc2nc(-c3ccc(Cl)cc3)no2)CC1 1251708482 RUQKUFSMVGKWIY-UHFFFAOYSA-N 416.913 1.782 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1286396159 VPZAKURVYZXXBV-QGZVFWFLSA-N 418.567 1.502 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286398919 TXIZTRFGYKQQAK-GDBMZVCRSA-N 421.548 1.570 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nc(C)cs1 1286410127 SETGWONCMLTYBX-ZBFHGGJFSA-N 417.560 1.822 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OCC)c2)CC1 1286472570 ZDCKBFUOPYORFU-UHFFFAOYSA-N 422.533 1.716 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCC=CO2)CC1 1286646630 UBXGDCBFVXKMJO-IAGOWNOFSA-N 423.539 1.460 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1286732035 ZNCBSHZVHFUIIG-WMZOPIPTSA-N 410.482 1.648 30 10 HDEE C=CCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777533 FENOJLRAQBUCBB-QLFBSQMISA-N 418.498 1.876 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCOCC2)C1 1286814053 IWPTVSGMXYXHIT-BZSNNMDCSA-N 422.526 1.325 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCc2ccccc21 1288169589 HKTDCIHLBWMSQG-GOSISDBHSA-N 423.521 1.598 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1288508513 NVWWZOJQGFILTG-HZPDHXFCSA-N 402.499 1.796 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1290434490 FQAKXLKGDBXXCN-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE CC(=O)NCC(C)(C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1290812950 QMTHELNESUEPRP-UHFFFAOYSA-N 400.458 1.676 30 10 HDEE Cc1ccc(C(=O)NCc2cccc(S(C)(=O)=O)c2)cc1S(=O)(=O)NCC#N 1297920889 IIFSRECPPBXMQN-UHFFFAOYSA-N 421.500 1.130 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300410307 YXELERCFFJUSFX-GOSISDBHSA-N 424.480 1.744 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1300429813 CRWKDEFDTZSALX-VXGBXAGGSA-N 412.541 1.170 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1300455966 RWHXVNSYTZMHFC-UHFFFAOYSA-N 421.505 1.517 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@@H](C)C1 1300579361 UJYBJRFHQVHGCF-GBESFXJTSA-N 418.563 1.848 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1300609304 MJMUELKDZVVZPZ-UHFFFAOYSA-N 420.473 1.964 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1300761339 KSWPUXSRVUDVLG-MRXNPFEDSA-N 407.540 1.817 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1 1300780020 KOEFKACDAQTIDA-QFBILLFUSA-N 422.599 1.755 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301196678 HQWHIAAITCSHQC-RLFYNMQTSA-N 413.544 1.239 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCSC2)C1 1301553563 OGPLZRMDTGDERK-FXAWDEMLSA-N 417.583 1.897 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301615341 MDTLLBJBDARTRO-IAGOWNOFSA-N 417.535 1.543 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301958282 AFEYORQQSUZWNY-CVEARBPZSA-N 402.524 1.822 30 10 HDEE CC(C)OCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1303549406 QXUYSFLCPZRPTI-CQSZACIVSA-N 402.455 1.550 30 10 HDEE C[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1305170594 MLJLJJUQQMYHLB-HMWBCQRISA-N 400.483 1.687 30 10 HDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1306763166 VFVBKOULBZFYPT-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CC(=O)N(CCc1ccccc1)CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893085 QVYZANSFUNAXML-UHFFFAOYSA-N 423.469 1.982 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)C(=O)OC 1309572585 BZWGOOMRADQHPO-AWEZNQCLSA-N 420.409 1.141 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)cc1 1312736741 RMNATFZMMRZUQI-WHLCRQNOSA-N 400.504 1.930 30 10 HDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1335182570 KKJSVXPNXHPXAV-WYMLVPIESA-N 400.361 1.107 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1358887561 ZDVIULGSBQKIMJ-OAHLLOKOSA-N 414.510 1.575 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1358891140 ZQDGZLAKSRGXOS-HZPDHXFCSA-N 412.519 1.688 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358962902 YURZCNWFLXFFMN-DOTOQJQBSA-N 419.507 1.144 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(COC)CCC2)CC1 1359028489 ULTJXRQXHJAJTI-UHFFFAOYSA-N 400.527 1.086 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCC(=C)C)CC1 1359043216 LXNYMKINXTTZEZ-UHFFFAOYSA-N 410.522 1.842 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359058707 NJGCAQPKCOZCTD-UHFFFAOYSA-N 421.530 1.287 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC 1359067619 VOLOWGCGOBXBIZ-QGZVFWFLSA-N 408.915 1.535 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1359154041 BOCTYBQXUDPMOM-UHFFFAOYSA-N 423.949 1.783 30 10 HDEE C=C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCS(=O)(=O)NC)CC1 1359167261 ZSSYIGNDCWWUAX-UHFFFAOYSA-N 415.523 1.222 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1359221469 CIWCZAAGUFBTDA-UHFFFAOYSA-N 412.494 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC[C@@H](C)C1 1359295561 GOAUDNZDKKXBOO-MRXNPFEDSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)NC)CC1 1359295968 SNNOWYGHBYVGMP-UHFFFAOYSA-N 417.901 1.362 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359303580 UKERMHITLXZZBA-MGPUTAFESA-N 417.535 1.617 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)NCCN1CCOCC1 1443334753 HMSMUYDIOOGTFA-KXBFYZLASA-N 411.506 1.632 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 1447522507 XMJSRESKFNSONO-UHFFFAOYSA-N 403.464 1.060 30 10 HDEE C[C@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS1(=O)=O 1447651011 NEBFGCPIWQPGSD-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE CCN(CC)CC[C@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1448589640 OAFYOIOFVVTRLY-JKSUJKDBSA-N 406.914 1.774 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)ccc1F 1449983707 TURBOLZIGFBECD-CYBMUJFWSA-N 421.454 1.114 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1cccc(F)c1 1450306057 APNXXYLUCNQAQL-CXAGYDPISA-N 405.451 1.084 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c(C)nn(CCC(=O)OC)c2C)cc1 1454291111 AICGDEZWIUBBEH-UHFFFAOYSA-N 418.475 1.227 30 10 HDEE N#Cc1c(CCCNC(=O)c2cc3n(n2)CCC[C@@H]3O)nn(-c2ccccc2)c1N 1464063324 CWFVMQMOOPNJBK-IBGZPJMESA-N 405.462 1.712 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCC[C@H]12 1464922385 GDNLYYBQGANGHA-ZBBFYAEISA-N 418.494 1.809 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([S@@](C)(=O)=NC)c2)c1 1468040534 AULVGRHUTWSGIK-AREMUKBSSA-N 405.501 1.937 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H](CS(C)(=O)=O)c3ccccc3)CC2)c1C#N 1468578489 HRFHDNKRSNAVNQ-KRWDZBQOSA-N 418.544 1.800 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471585950 ZYSBLRQYSSLVOA-VBKZILBWSA-N 414.474 1.976 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 1476354332 USULXCPTYCDATR-GFCCVEGCSA-N 416.215 1.974 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCC(=O)Nc1ccc(I)cc1 1478625921 LBVPKXXHFHSEOA-CYBMUJFWSA-N 413.215 1.273 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1492720040 CSRDNVCPSKGSFY-ZDUSSCGKSA-N 407.482 1.920 30 10 HDEE COCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1505053454 ZWHFMFBITOKCRV-GOSISDBHSA-N 417.466 1.354 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507524705 WCFGZWMEGBAYDD-DZGCQCFKSA-N 422.942 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCn1cc(Br)cn1 1507526264 BLNIHACSBOVBCJ-LBPRGKRZSA-N 403.288 1.796 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(F)F)CC1 1507582299 FVSPCFACHOWAQQ-UHFFFAOYSA-N 406.437 1.806 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)n(C)c1=O 1507610273 JYYGWIQECUAEDF-UHFFFAOYSA-N 415.461 1.046 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507634441 NIQBWTKCPKXLPU-QZTJIDSGSA-N 407.584 1.588 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635404 VXPGTRAPFCXEKF-SJLPKXTDSA-N 421.611 1.976 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N(C)CC(=O)N1CCOCC1 1507834773 PLJUHTGMHDILRM-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C(N)=O)nc2)CC1 1507876661 PPBXIAGGCAYQGF-UHFFFAOYSA-N 418.461 1.624 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)CC1 1507884836 MWPKOMKGYZIRFN-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE C=CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1507924581 PKCFNHXLDSKFCT-ROUUACIJSA-N 408.506 1.868 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507930618 GTWLJLCZZBGPDR-GOSISDBHSA-N 413.526 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1508081222 HZUSNWVASDLNOL-QGZVFWFLSA-N 423.525 1.636 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(c2nc(-c3ccccn3)no2)CC1 1508086777 OOLRTXLJHKHHJM-UHFFFAOYSA-N 422.493 1.972 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1514214690 SQXHWNONTMSEFS-PLNGDYQASA-N 424.505 1.990 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1539044817 JCWVBPANLZCCMY-GOSISDBHSA-N 402.543 1.521 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1539219458 COKVOWCPSSFGMB-ZWKOTPCHSA-N 424.567 1.616 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)cc1 1539312241 MBTJZPNKWNGLRZ-UHFFFAOYSA-N 413.485 1.936 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2c(C)noc2C)CC1 1539430970 QCURRQFEHBUKRV-SFHVURJKSA-N 416.526 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(C)COCCO2)CC1 1539475343 CDBCRFITOXNOES-QFIPXVFZSA-N 424.505 1.111 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1539496131 CJFKHFKTSYOJKR-OLZOCXBDSA-N 403.599 1.196 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539634624 CASSMAHVTMPZCS-CRAIPNDOSA-N 411.572 1.682 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1540965193 XIXKMNSCCSYHQE-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1541159107 BKBPWCWWAIDOJR-ROUUACIJSA-N 402.543 1.948 30 10 HDEE C#CCN(CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)C(=O)OC(C)(C)C 1542811097 VYYZLXYMZKGBIA-UHFFFAOYSA-N 416.522 1.465 30 10 HDEE C#CCN(CC(=O)N1CCc2c(cccc2NS(C)(=O)=O)C1)C(=O)OC(C)(C)C 1543562397 PEXMBVHTWCVFEE-UHFFFAOYSA-N 421.519 1.813 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1545123057 HASKVRHEIZIDFS-JXXFODFXSA-N 401.515 1.080 30 10 HDEE COCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1555445814 RDGCXJAFIIDIEZ-ULQDDVLXSA-N 405.499 1.548 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555775039 WPWAEOYAHJKJJM-RMYFCYLKSA-N 409.450 1.092 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1)C(=O)OC 1556971436 YFTBFRFMAJNHOJ-IBGZPJMESA-N 420.531 1.892 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C(=O)/C=C/c1ccc(F)cc1 1556993225 BDNUWVQBXLJBFZ-XBXARRHUSA-N 424.425 1.732 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)C[C@H]2CC[C@H]1C2 1557593688 KHUOXXGINFFLAX-WFXMLNOXSA-N 416.547 1.439 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2ccc(NS(C)(=O)=O)cc2Cl)c1C#N 1558906662 LOYGSHKEZUFTIN-UHFFFAOYSA-N 410.887 1.711 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CC(N)=O)C3CCOCC3)n[nH]2)c1C 1566199167 CAHUVMBMFGANKW-HNNXBMFYSA-N 400.483 1.476 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CC2)c1C#N 1567646316 XKLXJPAHVWYMSY-LJQANCHMSA-N 421.505 1.405 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(=O)c3ccc(Cl)cc3o2)CC1 1585000232 SQQWPDFIEOUWAQ-UHFFFAOYSA-N 401.850 1.344 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CCO1 1585431785 LEBODYRWFMGCHS-SFHVURJKSA-N 413.446 1.507 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCCN(CC)S(C)(=O)=O 1587931994 IOWXRTBIGYAVPV-UHFFFAOYSA-N 405.524 1.695 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588058958 GGGJGTKGBNKWRF-FGTMMUONSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCS(C)(=O)=O 1588241583 RVDGASRDYMPMGL-UHFFFAOYSA-N 405.549 1.531 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1588387459 UKXDINUGQHYOFN-CYBMUJFWSA-N 409.537 1.291 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1588768999 MZAMIXUXJKNFBW-JOCHJYFZSA-N 406.490 1.377 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1589109561 FRGIGVCLEAWOBS-LJQANCHMSA-N 424.578 1.683 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589529227 MKMCTYBKOOYPPQ-HKUYNNGSSA-N 402.543 1.347 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589546969 SVVQFOYTQFARKF-VIPLHTEESA-N 406.527 1.818 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1593735914 UGJIWWSMHSJHSO-SFHVURJKSA-N 413.526 1.629 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1593809074 WXZWEZCYXBPDKE-OLZOCXBDSA-N 401.858 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1595701018 WADINBKDCCPXQI-SIKLNZKXSA-N 408.506 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCOC1 1595811944 HZVUHFXSTIJQCI-QGZVFWFLSA-N 405.524 1.337 30 10 HDEE COC(=O)c1ccc(NC(=O)Cc2ccc(OCC#N)cc2)c(S(C)(=O)=O)c1 1610922498 RGEGOMOTQJZGAV-UHFFFAOYSA-N 402.428 1.960 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H](C)O1 1612915849 QUPVEUALGLLCIU-HZPDHXFCSA-N 424.505 1.712 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1615448782 DWUPDNLIBAWSAR-BEFAXECRSA-N 407.494 1.030 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1617537531 RPMZNLATUOMTTJ-SFHVURJKSA-N 406.504 1.768 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)[C@H]1CCSC1 1617729326 PYUQONODTRMJOK-INIZCTEOSA-N 420.564 1.698 30 10 HDEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1618965099 NPOPENGZONBZIS-WBMJQRKESA-N 418.395 1.810 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)C[C@@H]1O 1620299662 BFJKYFZXMWHSTE-DOMZBBRYSA-N 422.411 1.702 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 1620567584 DUDSFBLBHKPELD-KRWDZBQOSA-N 408.543 1.210 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OCC)C(C)(C)C)s1 1621301450 OISKDNMCSXHJKY-OAHLLOKOSA-N 402.538 1.849 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccc2c1OCCCO2 1621926662 AGVDLXRTTFDPOF-CQSZACIVSA-N 415.475 1.409 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)C4CC4)CC3)C2)C1 1627813073 KGPGXWRJZFOFLD-PSCUFVCCSA-N 416.522 1.854 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)CC1 1628690692 IGUMTHPZUDGRLG-FQEVSTJZSA-N 401.507 1.922 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)ccnc3F)CC2)cc1 1629484607 BOQDXIJDPROCRI-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)CC)cnc2O)c1 1630546590 LQEUIGDKAZTCOT-UHFFFAOYSA-N 401.444 1.273 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CCC(=O)N2CCN(C(=O)CC#N)CC2)COC1(C)C 1631231069 HJCHYWGJCHXCMI-OAHLLOKOSA-N 408.499 1.723 30 10 HDEE COc1ccc([C@@H](CO)N(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1631750727 MFUJGJXMCJHWFI-GOSISDBHSA-N 417.487 1.611 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C2 1631763534 IHTRYUSKMNVOAQ-OKZBNKHCSA-N 415.515 1.510 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)cc1 1633200054 XWGQIETYIIBHJS-UHFFFAOYSA-N 412.471 1.058 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(C)[C@H]2c2ccccc2)s1 1633291989 FFHCDEZVMQFFAW-LJQANCHMSA-N 419.528 1.754 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1634686691 AFLQDMRXUMIPRY-FPOVZHCZSA-N 422.485 1.913 30 10 HDEE CN1Cc2ccccc2[C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1634919342 YTVIRNDHLKODPA-PMACEKPBSA-N 417.469 1.672 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccc1F 1639590861 CEGPKMSDXWVYQZ-UHFFFAOYSA-N 423.466 1.905 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1CCn1ccnn1 1640538081 TXZGYTPBXJHZMM-DOTOQJQBSA-N 416.507 1.288 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CSC1 1641188937 OXYYAOZEEBKGMS-AWEZNQCLSA-N 423.516 1.573 30 10 HDEE N#Cc1ccn(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c(=O)c1 1641285816 DTTSEZXQXCZUCG-UHFFFAOYSA-N 414.487 1.211 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cn1ccnc1)c1ccccc1)c1cc[nH]n1 1643524661 IYEKNUKAUGMABZ-KRWDZBQOSA-N 410.434 1.448 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C1 1643888409 KKFFZCLNNRUDRE-KRWDZBQOSA-N 411.487 1.093 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 1644584085 WUWKPBBNBJYRDL-GCJKJVERSA-N 424.432 1.656 30 10 HDEE CCCCn1c(N)c(N(CC(C)C)C[C@H](O)CC2(C#N)CCOCC2)c(O)nc1=O 1644817837 WJOUABGYHVWKJZ-MRXNPFEDSA-N 421.542 1.865 30 10 HDEE COc1ccc(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n[nH]2)c(OC)c1 1645267790 NFRPYUIZPTYVNQ-BUXKBTBVSA-N 416.459 1.104 30 10 HDEE C#C[C@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C1CCOCC1 1645985746 DLJVJDLQLZRUQM-FQEVSTJZSA-N 419.547 1.963 30 10 HDEE C[C@@H](CC(=O)NCc1nc2c(s1)COCC2)/N=C1/NS(=O)(=O)c2ccccc21 1646205146 XBJBRGXSHRKLJQ-NSHDSACASA-N 420.516 1.349 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1648460073 IGPJFSFWBDUEIQ-FOIQADDNSA-N 406.552 1.956 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1649538208 AVVLDZDWPNQQHP-QRWLVFNGSA-N 407.515 1.913 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1 1654151984 KLDQPJRISJQHDJ-FQEVSTJZSA-N 417.550 1.455 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOc2ccc(Cl)c(F)c2)c1 1654571528 QVJRAWNDGQQWOT-UHFFFAOYSA-N 411.842 1.824 30 10 HDEE CC(C)OCc1ccccc1CNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654888696 DIXNMTYLMSATOH-ICSRJNTNSA-N 405.520 1.098 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1664345200 MHAMPSWILCEKEG-BZUAXINKSA-N 414.549 1.016 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1668127084 PMGQXCHGNDPNFP-AWEZNQCLSA-N 401.460 1.295 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1668185091 VOMCYUUPEMBOKK-OTUOZYHDSA-N 407.496 1.242 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(Br)n2)n1 1668983346 MWCZKJIJWAADCV-UHFFFAOYSA-N 413.297 1.511 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1679687026 GZKIQAYSVVXMPN-UHFFFAOYSA-N 403.439 1.850 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1683106626 KHPKBUNDGLTMBF-KRWDZBQOSA-N 403.508 1.613 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 1683415547 DBSMCQUAHWCPEP-UHFFFAOYSA-N 401.511 1.320 30 10 HDEE N#C[C@@]12CN(C(=O)NC3CCC(O)(c4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1686020481 SKMUJGYCLJGYQR-YMPIPDKKSA-N 403.504 1.397 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689906947 WXDPQBVQPFHKOH-FCHUYYIVSA-N 415.538 1.839 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1689913001 FTSAMTFWRJSFIZ-INIZCTEOSA-N 408.572 1.366 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1689954262 RAOWTJIHHOOUSZ-UHFFFAOYSA-N 401.434 1.442 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689990091 LMGPQFNMRGZDGA-QZTJIDSGSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](CC)NC(=O)OC(C)(C)C 1689998314 JFSZNYWFKZKWPO-INIZCTEOSA-N 416.526 1.792 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690124602 OVKLHAQEQAOOOV-FQEVSTJZSA-N 422.533 1.335 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl)C1CC1 1690545008 HUPAKXPJHLTEFC-AWEZNQCLSA-N 401.920 1.518 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690667262 XERHIMAVSYXSMT-CABCVRRESA-N 403.458 1.627 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1690669192 XODGBGXZZRWIQN-IBGZPJMESA-N 421.505 1.429 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1690672271 NDDJBAPQDOUDNW-INIZCTEOSA-N 401.515 1.271 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCCO1 1690673981 LDNQNELNLXGZDY-QGZVFWFLSA-N 409.494 1.434 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)N(C)CC)C1 1690684960 SHWUSOSNVNVQAO-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691328899 PZCWGGPFKATMDB-CLQKXYRXSA-N 420.583 1.853 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692852395 IZTMIJPMOWGBTR-GPMSIDNRSA-N 407.540 1.737 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1692870510 ICZGVFYFQFLTCR-KBXCAEBGSA-N 404.858 1.528 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1694781319 PWDILQHBHAWYRD-GOSISDBHSA-N 423.521 1.694 30 10 HDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1696398987 VEJHRFVOBXVXOR-GOSISDBHSA-N 409.494 1.847 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1697588354 WIZBCNPPCBEGTM-SJLPKXTDSA-N 424.505 1.521 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCSCCCO)CCN1C1CC1 1698493309 LDWYOYPPQMUPND-SJLPKXTDSA-N 420.583 1.464 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1705569536 DSXNRNKROZTZFP-MRXNPFEDSA-N 416.503 1.287 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1705570209 LLALEZINFVSCLA-KRWDZBQOSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CC 1705576353 JISPCLPMTWUNKF-FQEVSTJZSA-N 415.505 1.478 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1705617259 OXNDWUKZJVYWAT-HNNXBMFYSA-N 412.460 1.744 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1ccnn1 1705625857 ZIMKTFWHLVYFRE-SFHVURJKSA-N 422.468 1.690 30 10 HDEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705747998 ZKHLBXBCCCFFEK-CQSZACIVSA-N 424.933 1.052 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1705819800 URSOIGNZNNOMPP-IKGGRYGDSA-N 409.556 1.956 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1705827513 HWWFRFPMZYYZJH-UHFFFAOYSA-N 409.494 1.871 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@H](OC)C1 1705938363 WLXJCZFHFSVBQR-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2C[C@H](F)C2)CCO1 1711361052 VWMMRTDYCWNHJB-KBAYOESNSA-N 412.469 1.906 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1712667704 GZMFOQZULJTAII-DOTOQJQBSA-N 401.492 1.477 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)O 1722420151 GJBWNDKEMGQQNV-UHFFFAOYSA-N 406.508 1.206 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H]2COCCO2)CC1 1722444902 IDBLOKIQRSRQIL-IBGZPJMESA-N 409.490 1.326 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC 1722466689 CILASBGIUWGBHL-MGPUTAFESA-N 417.535 1.937 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1722476166 NRVCLJJOTIFEOU-FXAWDEMLSA-N 416.551 1.567 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1722476239 ZFLDUZSEYWCTFQ-JJRVBVJISA-N 414.478 1.597 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722523143 CMZYLOPRFGSHFQ-QGZVFWFLSA-N 411.510 1.569 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1722630284 BVPNYIMDTDEVTE-QGZVFWFLSA-N 417.489 1.978 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(C)c1 1722697006 GQLNMGYLAVNLLP-INIZCTEOSA-N 412.494 1.485 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cnn(C)c1C 1722725772 RIKZKLSNJCIJDT-UHFFFAOYSA-N 415.523 1.619 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@@H]1C 1723167398 HNVQDKAUTMADRO-HNNXBMFYSA-N 411.510 1.657 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@@H]2C)CC1=O 1730780355 CNCNLDKBBWVLJS-FUHWJXTLSA-N 424.505 1.537 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1730973553 VDWKDMCIZMYAJY-OAHLLOKOSA-N 405.480 1.551 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1 1740531752 SBKNVXXDDGYTNT-AWEZNQCLSA-N 407.434 1.293 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740592297 UXVHHCANWREATA-QGZVFWFLSA-N 409.490 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1740640029 WOXNSJCWAFDXPU-INIZCTEOSA-N 403.446 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1740649631 YXFFUMSWASPCLM-JKSUJKDBSA-N 407.540 1.166 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740670193 NGCHFNDDXIHJSG-OALUTQOASA-N 416.570 1.922 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1740709193 CHOABAVKIKFVAP-UHFFFAOYSA-N 406.556 1.231 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740892189 SBYCJYVSJUBCCP-QFBILLFUSA-N 412.556 1.766 30 10 HDEE CC(C)Cc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1741477120 JFBYQWAZRCFACC-UHFFFAOYSA-N 411.510 1.390 30 10 HDEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1741751580 YNUWILRFHQYMHU-XJKSGUPXSA-N 402.496 1.145 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1741801424 APOPOZXZNKZRON-KGLIPLIRSA-N 420.543 1.313 30 10 HDEE CCOC[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747268497 RVRYXNOWSGBZES-IJYGLTAASA-N 402.499 1.620 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1748719159 VPVGOVYSFMVMII-SFHVURJKSA-N 421.567 1.961 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1748801776 GGKFQVBPRJVGEJ-SFHVURJKSA-N 421.567 1.287 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ncn(C)n1 1748888939 BQDUSJBBLDXEHO-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC1 1748960361 IXMLJXVGTHLUQZ-INIZCTEOSA-N 422.489 1.315 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2=CCCCC2)CC1 1748979024 VOZHPQIRIFYPOW-KRWDZBQOSA-N 420.583 1.534 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCSCC2)CC1 1748990857 MUKSWAGQFPGHFM-GOSISDBHSA-N 404.584 1.324 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1749118921 LFWNOVZMTFSLCZ-UAGQMJEPSA-N 422.555 1.609 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)CC1 1749324097 PNQCELZUQGYEGO-UHFFFAOYSA-N 418.523 1.763 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1749558402 UWCGMRVVYZHFTP-MRXNPFEDSA-N 422.555 1.117 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@]1(OC(C)C)CCOC1 1749682092 OGNIYWMHCJVFKL-UWJYYQICSA-N 421.542 1.484 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCOCCN(C)C)n1 1751843240 DSQMSGBOXKBYAU-UHFFFAOYSA-N 414.558 1.848 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCO2 1760206610 GCLQQBWJKYZKIP-UHFFFAOYSA-N 405.458 1.293 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCCCO1 1760209686 GSZHELSDJWDLMF-IRXDYDNUSA-N 407.540 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)NC 1760217253 VLZHKPXRYWXTTC-UHFFFAOYSA-N 401.474 1.730 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccccc2)CC1 1760251867 JZTSSKPIRBHEJW-HSZRJFAPSA-N 422.533 1.177 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC[C@@H]2CCCO2)CC1 1760260586 YMFOPHBYLVBFQN-IBGZPJMESA-N 413.526 1.020 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCNS(=O)(=O)CC 1760293099 NWBFMVPXYGZXKR-GOSISDBHSA-N 405.528 1.000 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760314632 YLOZSWVNCWQGES-NRSFXHEJSA-N 419.526 1.739 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1760321159 CDNSUALSLFTIIY-AEFFLSMTSA-N 411.572 1.539 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1760464954 SKQYPHUIOXXLBN-MRXNPFEDSA-N 409.556 1.595 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760522288 QBWZWSKRKFJDGJ-OAQYLSRUSA-N 415.542 1.654 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCCC2)CC1 1760523879 KAVGIKOOYRUWSE-SFHVURJKSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1760559957 WPBFBTKJTJGIKW-QAETUUGQSA-N 424.567 1.695 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1764941671 CZMCHDDSSBRIDJ-HXUWFJFHSA-N 410.522 1.574 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCc2nc(C)no2)CCOC1 1767385192 HPMSGBWFQZRTSW-KUHUBIRLSA-N 403.487 1.850 30 10 HDEE C[C@@H](C(=O)NCC#CCN1CCCCCC1)N1C(=O)c2ccccc2S1(=O)=O 1849986517 MCEKFZWSVGLYPR-INIZCTEOSA-N 403.504 1.215 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1850013310 UWUNSWMCWSKNRY-SFHVURJKSA-N 409.939 1.709 30 10 HDEE C=CCN(C(=O)c1cn(-c2cc(-c3nc(C)no3)ccn2)cn1)[C@H]1CCN(C)C1=O 1850380242 UKHOWKYTCGRKLZ-INIZCTEOSA-N 407.434 1.485 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1854675625 IBSNLVYGQHGBCJ-IUODEOHRSA-N 408.380 1.394 30 10 HDEE CCN1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)C(=O)C1 1855298352 YUBAWVCBIWTXLM-VQTJNVASSA-N 414.531 1.642 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)cc1 1855639539 ZSNGNTVQCONHSU-MGPUTAFESA-N 403.438 1.899 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(Cc4cccnc4)CC3)C2=O)cc1C#N 1855651320 HEMFFKRCQQFRTR-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3C[C@H](CN(C)CCC#N)CC3=O)CC2=O)cc1 1855704923 MGRLBTBLOJSRFH-IRXDYDNUSA-N 412.490 1.659 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)CCc1ccccc1 1856335337 YBZOYFFYZZRHKF-OAHLLOKOSA-N 412.471 1.199 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nn2C)C(=O)C1 1856441498 YONWYHYOOIGGRJ-AWEZNQCLSA-N 409.446 1.792 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCN(C(=O)COc3cccnc3)C2=O)CC1 1856467764 XDWIAQGLVAOLOJ-LJQANCHMSA-N 405.458 1.734 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2nccc(Cl)c2F)C1=O 1856729028 VNXHXFVURCHYAT-KBPBESRZSA-N 408.861 1.724 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](c4ccc5c(c4)OCO5)C3)C2=O)ccn1 1857109027 HCTOOPRTBMIQMF-FUHWJXTLSA-N 404.426 1.913 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cc4ccccn4n3)C2=O)C1 1857114874 WYVNTCCUIBXAIJ-GOSISDBHSA-N 402.414 1.105 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@@H]1CCN(C)C1=O 1857225327 BPEQFRFWMXEKTG-NVXWUHKLSA-N 404.536 1.478 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858298775 YUCXJZRPMVAFCV-AWEZNQCLSA-N 411.443 1.333 30 10 HDEE CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858977826 UJTGKSGLIONGFH-UHFFFAOYSA-N 400.460 1.539 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)cc1O 1864057882 LGLWKLUHUZVITB-LLVKDONJSA-N 410.352 1.847 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)Cc3ccccc3F)cc2C1=O 1870153286 LHECZAUGPZQACM-UHFFFAOYSA-N 404.361 1.685 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2ccc(C)cc2C)[nH]1 1871603211 ZHRJIHBCSGDFBI-UHFFFAOYSA-N 417.521 1.790 30 10 HDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873595794 SCGYIRHMSWNEFX-UHFFFAOYSA-N 407.478 1.061 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccc(O)cc1 1874338621 YQAKATLGEGAKBH-IEEVUCOHSA-N 417.491 1.855 30 10 HDEE CCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874525143 YHTLUHVQVFXJCL-UBKPWBPPSA-N 414.285 1.777 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1F 1889736346 VEUCMKXCZQBHNW-UHFFFAOYSA-N 406.421 1.992 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccc(OC)cc2)C1 1890964232 SRZNSHWQIAWSHO-HMXCVIKNSA-N 400.475 1.623 30 10 HDEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1OC 1891756404 AQRYLHJFBMNBBG-UHFFFAOYSA-N 406.416 1.973 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(COc3cccnc3C#N)C2)c([N+](=O)[O-])c1 1892067983 JIUNVAIYBJYVOF-UHFFFAOYSA-N 404.404 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC#CBr)[C@@H]2CS(=O)(=O)C[C@@H]21 1895301987 OQNATYANWNJQCL-OLZOCXBDSA-N 407.330 1.451 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2174778791 BDXIUBMJNMTWKN-QXSJWSMHSA-N 400.545 1.948 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)ONC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180136727 DBEOUFCIBRECSX-HUUCEWRRSA-N 402.513 1.506 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)([C@H](CS(=O)(=O)N2CCOCC2)NCC)C1 2197747780 GWLOFSHJMKJFRI-HNNXBMFYSA-N 403.545 1.240 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2217463769 HTUCPTZYPXWCPS-UHFFFAOYSA-N 419.287 1.234 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241480842 ONIHZZUTLIFFLQ-STQMWFEESA-N 402.322 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243386649 FCMOBCLUNBUMLA-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247803476 DVVQBUZYRILMNQ-UHFFFAOYSA-N 420.319 1.742 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCCNC3)sc2Cl)OC1(C)C 2281969345 LJOWHVZIMSURDU-QGZVFWFLSA-N 400.737 1.545 30 10 HDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CCC2(CC1)OCCO2 2282039321 SXZLKBHITQZNRN-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CN1 2282330532 AQCCNQDUDWMSMV-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(F)(CN)CC3)c2)OC1(C)C 2282331532 OUIUJDPBGKJNQJ-UHFFFAOYSA-N 404.338 1.499 30 10 HDEE C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332124 WPIPTYUKCMNGFV-JSGCOSHPSA-N 401.359 1.971 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C1CNC1 2282415220 DQEYDWSMKWZMGR-NSHDSACASA-N 400.737 1.525 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)C3CC3)c(Cl)c2)OC1(C)C 2282499817 FZNFMFYNNUZIFP-AWEZNQCLSA-N 401.721 1.688 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CNC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282506182 OPKMJUWMSSUXDZ-GWCFXTLKSA-N 400.375 1.550 30 10 HDEE CCN([C@@H]1CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507829 MTJHQHRJWCXWIL-CQSZACIVSA-N 401.359 1.988 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512527 UDPVMDVYUGQNNP-FTJNGKRUSA-N 421.777 1.685 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282513010 XEBYIMSJTXGUDW-RUZDIDTESA-N 421.777 1.686 30 10 HDEE CO[C@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828590 RAKLDVQWZDNWCD-RISCZKNCSA-N 401.721 1.952 30 10 HDEE CC(C)[C@H](CN)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282831688 COKPZHMLBSTPEL-AWEZNQCLSA-N 402.753 1.901 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)Nc2nccc(F)n2)OC1(C)C 2282841331 UHUOHFVRXCCYEJ-UHFFFAOYSA-N 400.266 1.313 30 10 HDEE C[C@@H]1CCN[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845109 NDTIOCNLGRHNAO-OCCSQVGLSA-N 400.375 1.465 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CCN 2282848338 MLAATIXPVRSNHM-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 2284392895 CRBWUHWFHJXKIT-LLVKDONJSA-N 401.315 1.451 30 10 HDEE C[C@@H](ONS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416542 ZHZVVMCVYYTAOH-SECBINFHSA-N 405.665 1.322 30 10 HDEE C#CCN(C(=O)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2285438796 IOSUVRAJQRDQOE-KXBFYZLASA-N 400.541 1.965 30 10 HDEE COCCN(C[C@@H](C)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2288011267 TWKSBFXMJVFZPJ-GFCCVEGCSA-N 405.347 1.065 30 10 HDEE COc1cc2[nH]c(C(=O)O)c(C=Nn3c(SC)nnc(C)c3=O)c2cc1OC 2321647041 VDQMRDFPNMOGLT-UHFFFAOYSA-N 403.420 1.748 30 10 HDEE O=C(O)CCc1nnc(S)n(N=Cc2ccc(-c3ccc(C(=O)O)cc3)o2)c1=O 2321663716 CUNQPDAYUQZMRS-UHFFFAOYSA-N 414.399 1.785 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(Br)cc1 2330742640 IQSHOWODDMLCFN-UHFFFAOYSA-N 411.285 1.136 30 10 HDEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(SCCO)nnc1[C@H]1CCCO1)OCCO2 2331007089 NJMVJQLZBSKMKM-CYBMUJFWSA-N 421.435 1.776 30 10 HDEE C[C@@H](C[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365243918 QESVTBXEUSHABE-UONOGXRCSA-N 405.513 1.976 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H]1C(C)(C)C 2367808697 FVURBGFUIJSNLB-KSMMKXTCSA-N 400.541 1.291 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815512 LYFZJKKSIVDOHH-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@H](CC)NC(=O)OC(C)(C)C 2367824855 NMYJZBWJKAVDOH-RKVPGOIHSA-N 402.557 1.599 30 10 HDEE Cc1scc(C(=O)NCCCCS(N)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369537245 ADAKQUSCYUQLSU-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)CN(C)C 2379826104 GLKDRVCKLRLPTD-GFCCVEGCSA-N 402.391 1.926 30 10 HDEE CCN(C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N)[C@@H]1CCS(=O)(=O)C1 7672357 IASSTOSFSHZQTI-CQSZACIVSA-N 419.459 1.443 30 10 HDEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 20527966 MGWVQSZJXBIPKF-SRZZPIQSSA-N 412.479 1.962 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cn1 20827651 KYOQJEMGLPXKAP-ZVBGSRNCSA-N 413.511 1.624 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C)nn1 23571679 FOBLVOMNWOKERS-XOBRGWDASA-N 414.466 1.969 30 10 HDEE COc1ccc(-c2nc(SC)nc(NCC(=O)NCC(=O)O)c2C#N)cc1OC 62048749 SGZMGUADXAUPKC-UHFFFAOYSA-N 417.447 1.367 30 10 HDEE NC(CCCn1cnc(I)c1I)=NO 308519977 HGKGMWLKJQTBQV-UHFFFAOYSA-N 419.992 1.619 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)cc1C#N 427202170 ATEKKZXSQJSWQV-UHFFFAOYSA-N 417.472 1.652 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)CC1 436420738 FXFVYKGYJKKOCB-UHFFFAOYSA-N 423.561 1.287 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 437475181 BIQWDLUJLNBQLO-ULQDDVLXSA-N 411.524 1.790 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1F 443180749 KVKNFUJVJPVGDY-CQSZACIVSA-N 419.434 1.300 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)c(C)c3)cc2C1=O 446578307 QNAVRLWRIBAJGR-UHFFFAOYSA-N 413.455 1.354 30 10 HDEE CC(C)C(=O)NC[C@@H]1CCCN(CC#CCN2CCC[C@@H](CNC(=O)C(C)C)C2)C1 472564112 MHTIQRPTPTYGEQ-VXKWHMMOSA-N 418.626 1.958 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)c(OC)c1 473776535 NGCVWCSESVPOCH-UHFFFAOYSA-N 410.477 1.914 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cn(C)c3cc(F)ccc23)CC1 474073900 ODOJAIYIJPIOPK-UHFFFAOYSA-N 401.486 1.489 30 10 HDEE CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1c(C)nn(C)c1C 482396326 LUSCISRLXBPSGK-SUMWQHHRSA-N 403.508 1.843 30 10 HDEE COCCOc1ncccc1NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486951759 UQWTWFUEGCYIEU-SFHVURJKSA-N 409.446 1.901 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN4C(=O)N(CC(C)C)C[C@@H]4C3)cc2C1=O 487013531 CRURCNIHIIDYEM-INIZCTEOSA-N 410.474 1.687 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 512200853 WKMWJZJCXIEYNS-LBPRGKRZSA-N 420.329 1.272 30 10 HDEE CCc1csc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 512910385 QMNGURLPZQANEA-UHFFFAOYSA-N 404.517 1.653 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 513265916 DQPBZPYWTACXBS-LRDDRELGSA-N 402.480 1.405 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1 514862324 UCCHSSFZGCYKOS-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](SC)C1 517784647 UDIQNGBWIZBOBZ-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Cc2cccc(C#N)c2)CC1 531149438 XDHDFGGLXKYIMJ-UHFFFAOYSA-N 402.476 1.629 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)s2)c1=O 532419104 AWKLCGUGWPSLFP-UHFFFAOYSA-N 418.540 1.889 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 534877831 GZWNROWDWHPNKN-UHFFFAOYSA-N 407.461 1.459 30 10 HDEE CS(=O)(=O)C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 538065786 HCPZKORGLZFQCJ-SFHVURJKSA-N 413.503 1.571 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 546168888 QTKJLDRBQIKROE-OAHLLOKOSA-N 403.442 1.595 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N[C@@H]3CCCN(S(=O)(=O)N(C)C)C3)c2c1 561434968 OCKVDXXLBLBPCL-CQSZACIVSA-N 419.507 1.806 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)NCc2ccc(C#N)c(OC)c2)CC1 576512911 PHBYGLYSYAJQNM-UHFFFAOYSA-N 416.478 1.510 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 579070550 CPNUJYOUKMNDTN-LJQANCHMSA-N 401.444 1.565 30 10 HDEE N#Cc1ccc(C(=O)N2CCC3(CC2)N(Cc2ccccc2)C(=O)CS3(=O)=O)cc1 581815578 OFBJZEBUWZBTTK-UHFFFAOYSA-N 423.494 1.948 30 10 HDEE C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(N)(=O)=O)cc1 589853217 APVHLCFIDUELBE-XJKSGUPXSA-N 415.475 1.525 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 619563137 ACMHTGYMKBERKI-CABCVRRESA-N 401.467 1.987 30 10 HDEE C[C@@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)c1cc(F)ccc1F 730292539 HTBNZTMBVWNYAZ-SNVBAGLBSA-N 408.382 1.818 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)ccc1F 731589221 UQQSNDQTACETCJ-KRWDZBQOSA-N 417.462 1.825 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCO[C@H](c3nn[nH]n3)C2)cc1OC 732091207 VKAXFMWGGHCDIL-KRWDZBQOSA-N 418.454 1.338 30 10 HDEE COc1cccc([C@@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N(C)C)c1 732439023 DCZLQEKABLNUKU-VRTBNJGNSA-N 401.467 1.124 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 732447753 BRXUKUDZCWVEJV-NQKFGRBQSA-N 412.446 1.735 30 10 HDEE CC(C)CCS(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733856338 DIZKSRVFOKXZNS-HNNXBMFYSA-N 406.464 1.255 30 10 HDEE COC(=O)[C@H](OC(=O)CNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 740182801 FPFXLEJZUPSGGT-LJQANCHMSA-N 412.398 1.763 30 10 HDEE CCc1c(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)[nH]c(C)c1C(C)=O 741341380 BAWIWTXBKCEMSL-FMQUCBEESA-N 401.419 1.731 30 10 HDEE CS(=O)(=O)Nc1cccc2c1CCN(c1ccc(S(N)(=O)=O)cc1C#N)C2 742398025 WHIDPFSYRAPREI-UHFFFAOYSA-N 406.489 1.140 30 10 HDEE C#CCN(C(=O)CCn1c(S)nnc1-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 747368328 RLJCGMJCSZXYRS-INIZCTEOSA-N 418.544 1.581 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2)c1=O 748067137 ZBCNGSHDEHJOMS-UHFFFAOYSA-N 413.455 1.337 30 10 HDEE CCN1C(=O)[C@H]2CN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CCN2C1=O 752332290 HYSXBFCCSKHRMY-RHSMWYFYSA-N 404.430 1.192 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCSc2nnnn2-c2ccc3c(c2)OCO3)c1 753940131 RTTIYNGLUOHFEZ-UHFFFAOYSA-N 415.456 1.829 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](c2cccc(O)c2)C1 766784235 IPOBNAZHFGICKB-QGZVFWFLSA-N 415.471 1.421 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)c2cccnc2)n1 767868118 RZDHVRBQHVPFEV-UHFFFAOYSA-N 415.504 1.564 30 10 HDEE C[C@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 769864826 AUWRHRYWZVCPGX-VDMFXUGISA-N 400.526 1.640 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnn2cc(Br)cnc12 770135222 YUOOQRDYEZNVGD-UHFFFAOYSA-N 420.248 1.791 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCc2nc[nH]c2C1 772705575 PDDHEHMNCMRISF-BBRMVZONSA-N 415.519 1.681 30 10 HDEE CN(c1ccc(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)cc1)S(C)(=O)=O 780216875 FBBBIUDKSGLFBJ-GOSISDBHSA-N 402.428 1.414 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1n[nH]c2ccc(I)cc12 783618988 YODMMZXEUWXEOW-UHFFFAOYSA-N 419.244 1.498 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 792745508 FOWGXMJRDGKWJH-SJLPKXTDSA-N 411.531 1.969 30 10 HDEE N#Cc1ncccc1OS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 795283670 FJDTXGOSOCHTNG-UHFFFAOYSA-N 421.378 1.562 30 10 HDEE COc1ncc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1 798627443 CXSYYCRRFBWABA-NSHDSACASA-N 404.448 1.354 30 10 HDEE C#CCN(C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 918754808 HIBHELPMHZZWPD-QQABJKMWSA-N 406.548 1.358 30 10 HDEE C#CCO[C@@H](C)C(=O)N(CCC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124189484 KVDIOJWKGBGWRH-INIZCTEOSA-N 412.490 1.997 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(CCCOC)c2)c1 1125489123 KTIWGYGSRKUEST-UHFFFAOYSA-N 410.474 1.407 30 10 HDEE C#CCSCC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1126382512 GKGKEQSEIPRQQS-UHFFFAOYSA-N 412.533 1.340 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H](C(N)=O)c2ccccn2)nnc1-c1ccco1 1129173697 JOESGMPFCQGDRG-INIZCTEOSA-N 412.475 1.944 30 10 HDEE COc1cc(NC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c(F)cc1C#N 1131705143 ZYRREQFRTBOEBQ-AWEZNQCLSA-N 406.414 1.722 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OCC)c2ccc(F)cc2F)C1=O 1133615889 PGEUPWZETAEFJF-CQSZACIVSA-N 423.372 1.052 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@](C)(CO)c2ccc(O)cc2)ccc1F 1143493055 ZALFFBMBLOIJHK-IBGZPJMESA-N 408.451 1.633 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1144373539 BVBNYAHKAPUHRZ-SFHVURJKSA-N 405.520 1.218 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1146354184 OHKZVKIDWJWCFR-GOSISDBHSA-N 414.506 1.595 30 10 HDEE COC(=O)[C@]1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H](C)c2ccccc21 1159568334 GLPKWIRHSUXRBW-YYDMCVKPSA-N 411.458 1.985 30 10 HDEE CC(C)(C)NC(=O)[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1176344085 ADBIEEBOCAQDNU-IRXDYDNUSA-N 417.579 1.836 30 10 HDEE COc1ccc(-c2cncc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)cc1 1180999539 AMBNPPJAHZRTJM-UHFFFAOYSA-N 403.398 1.588 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OCC 1190402711 PEOMXKSZNDHOAE-OAHLLOKOSA-N 413.448 1.436 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1190781517 SFVVLOCSZHOFLB-IBGZPJMESA-N 401.507 1.589 30 10 HDEE CCOC(=O)CN(CCc1ccccc1)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1190844853 BEDRDBSVAUPSBG-NRFANRHFSA-N 414.550 1.787 30 10 HDEE C#CCN(C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)[C@H]1CCS(=O)(=O)C1 1191988088 WKWLWHNCSUQNTP-ABSDTBQOSA-N 412.552 1.525 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@@H](C)COC 1196047982 KJDFXOPNZXEIQI-INIZCTEOSA-N 413.515 1.182 30 10 HDEE C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198071933 MHDKBYZAOBGAGD-AVYPCKFXSA-N 416.503 1.011 30 10 HDEE C#CCCN(CCOC)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1222848456 PBZYHYDSROSGIW-UHFFFAOYSA-N 407.536 1.829 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCO1 1226734220 FZRPPBUKZZFKRG-JYJNAYRXSA-N 421.494 1.219 30 10 HDEE C=C(C)COCCNC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1230250195 UQDMESVWCYUCNF-OAHLLOKOSA-N 411.499 1.631 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1233854189 VOWOVMTUCFFLKN-RDJZCZTQSA-N 414.510 1.974 30 10 HDEE O=C(NC1(CCO)CN(CC#Cc2cccc(Cl)c2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1282527487 NDXSUPFWMLGHOC-RMMWZPCPSA-N 400.906 1.668 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286324471 QOVOXEUHEUJMII-IAGYGMIVSA-N 401.511 1.805 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1286342204 NTDVBGQBZFBRPG-ZBFHGGJFSA-N 407.496 1.473 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286345224 LZIFSRDIZMBMFP-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286359878 LSJJVLQKCXEFPD-UGKGYDQZSA-N 417.554 1.645 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1csc(COC)n1 1286401094 NSENVLPTOGLKHB-FQEVSTJZSA-N 415.519 1.654 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1COCCO1 1286462790 WCHVZTHCVXGJDT-OAHLLOKOSA-N 424.461 1.095 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2C2OCCO2)CC1 1286483941 FETMQIJTUYVLGG-UHFFFAOYSA-N 411.506 1.664 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1286723262 JQPHPBLYUHOLOM-WOJBJXKFSA-N 424.549 1.856 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)c1nccs1 1286784986 ASHCUNZWEHJEHI-CYBMUJFWSA-N 400.512 1.677 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)NCCC)CC1 1286785146 GFNYUYFFPUBALB-UHFFFAOYSA-N 411.510 1.385 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 1286807514 CVXOLJBZMWLHFT-GOSISDBHSA-N 413.526 1.629 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(OC)CCOC2)C1 1286811468 CDPKYUVQJSURDM-RXVVDRJESA-N 416.526 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc(OC)c2)CC1 1286821532 OJTOYGBVNBRANF-UHFFFAOYSA-N 419.551 1.777 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)CC1 1286830722 PDACDVMJNHOARQ-UHFFFAOYSA-N 404.496 1.251 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOCC1CC1 1288160926 WAVNGVGEZSBKSJ-SFHVURJKSA-N 415.542 1.410 30 10 HDEE CC(C)OCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1288376859 QQLCWSOZAVLMRD-HNNXBMFYSA-N 412.560 1.833 30 10 HDEE O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCCN/C(O)=C1\N=CC=CC1=O 1293031610 DLDLUZMEZUXVJH-FOCLMDBBSA-N 410.352 1.373 30 10 HDEE CCN1CCCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1296079402 FWWLPOOIPLKKSI-SJLPKXTDSA-N 409.542 1.838 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(-n3cnnn3)cn2)C1=O 1297274038 QHMDHTZDSLYVHY-GOSISDBHSA-N 400.443 1.373 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300357292 LTCNUWZLQLOORC-FGTMMUONSA-N 402.543 1.578 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300370682 BDCPQQVUYBLQOT-GOSISDBHSA-N 414.554 1.947 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1300673694 VRTSAKXJJUUINA-JOCHJYFZSA-N 424.505 1.408 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N(C)c2ccccc2)CC1 1300681305 MFGGVQOJACZFMF-IBGZPJMESA-N 423.565 1.696 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC(N)=O 1300751495 KOMHBZWAISSIDJ-AWEZNQCLSA-N 415.519 1.783 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1300992082 TUZGSUNTPACWMY-LSDHHAIUSA-N 417.470 1.091 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@]2(CCOC2)C1 1301493436 YPFTXTXNGCVIAH-IBGZPJMESA-N 418.885 1.291 30 10 HDEE COCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1301843564 RMXLEFNMBNPLEK-PXNSSMCTSA-N 404.515 1.142 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 1302877453 LEOMENMJKDWGDF-HOCLYGCPSA-N 408.252 1.206 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1304193990 NNKYZNPUXQKHPR-IBGZPJMESA-N 415.471 1.728 30 10 HDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cs1 1306037061 TZLWUGUHTDZJJU-VXGBXAGGSA-N 411.557 1.694 30 10 HDEE O=C(Cc1cccc(F)c1)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893072 QTDYGTLAYHYESO-UHFFFAOYSA-N 413.405 1.389 30 10 HDEE C#CCCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1312647792 PLCQQWYRYDCTMU-OAGGEKHMSA-N 406.483 1.624 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOC)nn1 1312898262 KAGCPWBIOSQFJY-MRXNPFEDSA-N 408.503 1.632 30 10 HDEE Cc1cc(Br)c(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)s1 1313033227 PJPFCRMZVSHRGL-UHFFFAOYSA-N 412.269 1.452 30 10 HDEE CCOC(=O)C(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)OCC 1355156717 DKLXMXLOJQHGAN-LBPRGKRZSA-N 421.837 1.176 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1358893224 QHERHKCHQJQYGK-ANNUQZOISA-N 422.464 1.992 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358912332 OTHLQBYQNOROEE-SFHVURJKSA-N 416.526 1.160 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCn2ccnc2C1 1358970847 YYFVZOWYKSHLLP-PGRDOPGGSA-N 408.506 1.462 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC2CCCC2)CC1 1359028824 FNGQJGICGYNVJJ-QGZVFWFLSA-N 422.599 1.614 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1359056573 HNCUQXRERMDSFE-INIZCTEOSA-N 405.568 1.889 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1359058102 SOCLERFOBYHKQO-WMZOPIPTSA-N 404.584 1.196 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1359222672 OMOCTYCBPVIAMO-UHFFFAOYSA-N 411.514 1.759 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1360247528 AVWWLHVUNCBRAF-HNNXBMFYSA-N 420.420 1.795 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1360482512 FQVJPXYJRFVSNY-JFIYKMOQSA-N 418.542 1.794 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1439566664 JPFUDSYWMAEDIM-GXTWGEPZSA-N 409.895 1.600 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)c2cccnc2)CC1 1446579797 QZIUTEMNEXZWOZ-QGZVFWFLSA-N 415.494 1.953 30 10 HDEE CN1CCC(Oc2ccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1449283070 GUHGUPVXILOKFX-UHFFFAOYSA-N 411.462 1.000 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@]4(CCCOC4)C3)CC2=O)cc1Cl 1449329338 QGSLNQSPXSLMLS-QRWLVFNGSA-N 403.866 1.973 30 10 HDEE Cc1ccc(C(=O)N2CCS[C@@H](C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1455843194 XVUPYDKQEIIBSY-CYBMUJFWSA-N 407.439 1.917 30 10 HDEE N#C[C@]12CN(C(=O)CCCCCNC(=O)NC3CCCCC3)C[C@H]1CS(=O)(=O)C2 1456614537 SXPKILVQLZUIPT-OXJNMPFZSA-N 424.567 1.575 30 10 HDEE CCC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 1459217362 JWEJJWKXLWXLFC-UHFFFAOYSA-N 414.506 1.589 30 10 HDEE C=CC[C@H](C(=O)OC)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1460680845 XWEKTAWQURAPDH-FPCVCCKLSA-N 409.483 1.619 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1460762426 XGIUZVKVOOXZDM-MRXNPFEDSA-N 403.527 1.665 30 10 HDEE N#Cc1ccc(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C2CC2)c1 1463036414 FESMGYCTUXSSHB-CQSZACIVSA-N 400.460 1.540 30 10 HDEE CCN(CC)C(=O)CN1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1463807815 LZOHIJYEQJMURT-UHFFFAOYSA-N 407.312 1.947 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCCNc2ncccc2C#N)C1 1464504046 DNHPFLBTFZKNFQ-MGPUTAFESA-N 403.483 1.896 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C#N)c1ccc(OC(F)(F)F)cc1 1465587910 MMPBGHXJBXEXMJ-KGLIPLIRSA-N 414.384 1.672 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc(CC#N)ccn1 1467112156 BPMPNRJEYHTSLA-UHFFFAOYSA-N 402.480 1.395 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)cc1 1471485039 CXGIHIQIQTVJIK-ZDUSSCGKSA-N 400.451 1.195 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)nn1 1471834517 LHMYGRRNRMYQCD-FAGJFJLWSA-N 418.494 1.837 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1472151194 VBIHZJOTMUZUJC-ZDUSSCGKSA-N 412.895 1.871 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3=Cc4ccccc4O[C@H]3C(F)F)C2)c(=O)nc1O 1472370696 LFFUFVOZIOXQLW-OAHLLOKOSA-N 400.341 1.314 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1475315964 JBKYVWIENYUTPB-OLZOCXBDSA-N 424.338 1.865 30 10 HDEE CNC(=O)[C@H](CNC(=O)NCC#C[C@H]1CCCCO1)Cc1ccc(OC)c(F)c1 1478874930 HADCXXQHYDKBFX-DLBZAZTESA-N 405.470 1.611 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1502965064 SESLSRVVKOEMNB-XFFDBYKISA-N 421.542 1.845 30 10 HDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1503489812 BTJMBPWUSXOANE-UHFFFAOYSA-N 411.491 1.397 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)C1 1505123043 CJVLXVSIIDYOMA-GOSISDBHSA-N 422.470 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)nc1 1507545951 CUWJRTNNQDGJIY-LJHODMEESA-N 412.494 1.862 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507593653 SFYVDNWOGFRQST-FQEVSTJZSA-N 411.506 1.654 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CCOCC1 1507648458 OAJAQEJNWQULOO-UHFFFAOYSA-N 416.485 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507657723 YRPBRUWTACBUSR-OFNKIYASSA-N 422.533 1.941 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCSCC(C)C)CC1 1507715685 GWZBHINFBTZTFK-UHFFFAOYSA-N 406.600 1.951 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H](O)C1 1508040214 UPGWIHJVMQBYAH-BRWVUGGUSA-N 412.556 1.370 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](CNC(=O)c2ccccc2)C1 1508086647 NWXMIHXLAVYIHN-QGZVFWFLSA-N 410.522 1.789 30 10 HDEE CN(C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1516986823 FJJBYTDEYJGRPC-OAHLLOKOSA-N 410.482 1.138 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)OC 1518732496 USSYNIKZZZIAOR-GVDBMIGSSA-N 413.434 1.592 30 10 HDEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519080958 KNXHEMFQEGPPDO-SZMVWBNQSA-N 404.515 1.215 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN(CC(F)F)CC3)n2CC2(O)CC2)cc1 1521102126 OQBRIVMAWMVNTA-UHFFFAOYSA-N 418.448 1.641 30 10 HDEE COc1cc(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)ccc1C#N 1524011186 QDVXNOGBBHHEQR-UHFFFAOYSA-N 416.455 1.945 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 1525842967 RHZLHAVJBMXUQD-UHFFFAOYSA-N 407.430 1.133 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1529043038 XUQABCQZCIFNIA-UHFFFAOYSA-N 406.364 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1537178484 ZEKLYCCTEJZPGV-HZPDHXFCSA-N 413.540 1.999 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539210021 AEPBZPUJCJRZHK-SFHVURJKSA-N 422.514 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NCCC)CC1 1539477796 ZBYUHEBAFDAWQK-UHFFFAOYSA-N 423.521 1.141 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1539530562 IORBHWYEHZOCBQ-TWOQFEAHSA-N 419.551 1.011 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCSCC1 1539541613 KEJQZTINTXTCHV-RTWAWAEBSA-N 419.595 1.971 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC(C)C 1539570156 PICXIUHHEHNBDO-DJPFJPOOSA-N 403.527 1.909 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539721804 HYQCVHPBGGVIQG-DLBZAZTESA-N 416.526 1.354 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1539752153 DNAXTVDLXWFKHO-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1540171775 HWOQKVHXNXGCLZ-GOSISDBHSA-N 416.551 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1540868590 KJXDEVWCOKUBIK-UHFFFAOYSA-N 421.509 1.459 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1540876549 VCROEVGJTVMSGO-ROYATCLZSA-N 405.499 1.205 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccsc2)nnc1[C@@]1(OCC)CCOC1 1540876748 ZOKCWRDQUGALPY-LJQANCHMSA-N 405.524 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)CN(C)C2=O)C1 1540895427 RXHSJAFRJDRXEJ-LAUBAEHRSA-N 413.526 1.399 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)CC1CCCC1 1540906906 GJIOSEUJWSBBMP-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE C#CCN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1545063181 VMWGEDBQGDTXRB-CQSZACIVSA-N 402.488 1.375 30 10 HDEE CO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555147248 KMWCCSGQIHWALD-UPTRSRDDSA-N 402.499 1.717 30 10 HDEE COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1555278912 GCAWWZAOORVOBS-WMZOPIPTSA-N 403.458 1.785 30 10 HDEE COCCO[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555693980 WHTPKPGUXRWIMX-RDJZCZTQSA-N 414.466 1.374 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCOCC2)C1 1555984960 FHLLSYTVDVPKDK-IBGZPJMESA-N 403.433 1.991 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)c1 1556751961 WVZUOKUZJYLCOL-UHFFFAOYSA-N 411.545 1.817 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1Cc2ccc(NC(=O)C(F)(F)F)cc2C1 1557479313 OJXUTJKESTYSJI-MSUUIHNZSA-N 422.363 1.946 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)[C@H](O)c3ccc(C#N)cc3)CC(=O)N2C(C)(C)C)cn1 1557486557 PNMCLPMBAWTMKU-LSTHTHJFSA-N 409.490 1.830 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1 1558691304 NEPWRKJSBAPMOH-UHFFFAOYSA-N 416.421 1.313 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@]3(CO)CCC[C@@H]23)CC1 1560153427 DXWBQCUTTAKSMF-KCZVDYSFSA-N 400.498 1.771 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H]3CC4(CCOCC4)CO3)C2=O)cc1 1564547219 JEJHFYSSAHAVDQ-MOPGFXCFSA-N 412.490 1.939 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)n2)c1 1584497596 FXPQSNXRSBYEIB-INIZCTEOSA-N 408.439 1.709 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccccc1 1586032125 YXBTYQHPJMNNGX-ZQWKUMLXSA-N 416.503 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCNS(=O)(=O)CC 1587667594 KIEQHIXWAILGHO-QGZVFWFLSA-N 419.551 1.871 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587773200 DSNNWCMMXNXLDD-UHFFFAOYSA-N 416.551 1.539 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1587783042 JMUMEWOIRPTABA-MRXNPFEDSA-N 407.540 1.217 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1587989718 NOIPKLXCDBOXRY-LJQANCHMSA-N 411.506 1.971 30 10 HDEE Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)CC2 1588158161 QQNZIDGMBXWRPI-KRWDZBQOSA-N 413.503 1.159 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1588200276 KAZLYAIJEIQSLV-UHFFFAOYSA-N 424.896 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1588233424 IVQMRDICQLKLJE-AUSIDOKSSA-N 419.485 1.732 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588638020 MNJABOUZMNJXKH-XGHQBKJUSA-N 417.510 1.043 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cccn2)C1 1594645369 KYJKPOGYNDMKPP-GOSISDBHSA-N 413.526 1.859 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](OC)C1 1595466400 INOYZRZSUZQMMR-QGZVFWFLSA-N 412.494 1.675 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1595466483 JKJOADVMBMQYHH-LSDHHAIUSA-N 406.531 1.358 30 10 HDEE CCC(=O)N[C@@H](CCSC)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611649004 RHSPIFXUMUULOR-HNNXBMFYSA-N 407.492 1.538 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1619939450 SMSIPWXRDXYVSJ-UHFFFAOYSA-N 420.464 1.867 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1620081172 VVCUCFQUDWWCGA-FQEVSTJZSA-N 414.441 1.834 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c(=O)nc1O 1622372039 ASSHXKXUMWSZPW-UHFFFAOYSA-N 422.772 1.471 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 1623700576 FTJGUFABKWISQZ-ZIAGYGMSSA-N 423.963 1.905 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)cc1 1624003928 DZDUYTDOCHGDDG-UHFFFAOYSA-N 408.867 1.410 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 1626039738 NNTJOUYNCPRCAM-UHFFFAOYSA-N 400.460 1.899 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(F)(F)CC)CC1 1627009811 YNZMWWIDBIMLTC-UHFFFAOYSA-N 400.451 1.806 30 10 HDEE CCN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1cccc(C)c1 1627265856 ULGYXQHSWAMTPO-BLQIZKEDSA-N 410.474 1.547 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCOC[C@H]3C#N)ccn2)CC1 1627866525 IGHCSVDCBXKCPC-MRXNPFEDSA-N 401.467 1.503 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)C1 1629117914 PBGOTPNILDYUST-LBPRGKRZSA-N 420.311 1.664 30 10 HDEE O=C(CCCNC(=O)OCc1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 1632874838 KBKNDXSSSXOPNW-HNENSFHCSA-N 400.435 1.336 30 10 HDEE C[C@H](O)c1cn(C2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)nn1 1633580582 FNAHGMGAAMXFTJ-DZGCQCFKSA-N 406.487 1.692 30 10 HDEE C#CCN(C(=O)[C@H]1OCCN(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 1633714334 SHIZDXAFJZVYFP-ZBFHGGJFSA-N 407.264 1.592 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)n[nH]2)c1C 1634126841 HYQXYNWYGYGKTD-HNNXBMFYSA-N 408.466 1.345 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)c1 1634459868 RNNPPZFVLVXQDP-UHFFFAOYSA-N 400.504 1.914 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](COC)(C(=O)OCC)C2)c1 1634781477 YNHITXWZQYMOFF-OAQYLSRUSA-N 421.515 1.916 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2c2cnc(CC)nc2C3)cc1 1636321743 ILONLWJMWYLGRS-KXBFYZLASA-N 410.499 1.853 30 10 HDEE CCS(=O)(=O)c1ccccc1CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1637724620 XFAZIBPMDJTNIG-VHEBQXMUSA-N 405.476 1.055 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)Cc2ccccc2F)cc1S(=O)(=O)NCC#N 1638417988 MEYRIEMBETUGRG-MRXNPFEDSA-N 405.451 1.269 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 1639684859 OPWIWJOJMBVMQJ-KUDFPVQQSA-N 418.563 1.550 30 10 HDEE C=CCCC(C)(C)CNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1642350581 GKDKMZQKBKAPJQ-UHFFFAOYSA-N 401.916 1.826 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1643364198 JBVVOYHHYNEEDJ-QGZVFWFLSA-N 414.506 1.808 30 10 HDEE C[C@@H]1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1645269732 CXUTXCGYHXLHHD-CUYVQJCZSA-N 411.524 1.419 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CS[C@H](Cc4ccccc4F)C(=O)N3)CC2)C1 1645738027 UDDRJDFFLQNTMS-QZTJIDSGSA-N 418.490 1.833 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1647550025 XXUWRMFJBWHMBS-UHFFFAOYSA-N 422.913 1.658 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)c1C#N 1654182016 OWPBYUDLOXLIHY-ZUOKHONESA-N 420.514 1.786 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCNC2(C(=O)N3CCOCC3)CCCCC2)c1 1655082680 OYCQVVHATWXJJM-UHFFFAOYSA-N 405.520 1.483 30 10 HDEE N#Cc1ccc(C2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)nc1 1655169970 GEQGXQSRNFAEES-UHFFFAOYSA-N 405.506 1.662 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1655709546 UFURLNJBTMMLHE-QUCCMNQESA-N 415.513 1.335 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2c3ccccc3C[C@H]2CO)CC1 1659363272 DXOIACJCGWSPDP-UNMCSNQZSA-N 408.477 1.958 30 10 HDEE N#Cc1ccc([C@@H]2CN(CC(=O)NCCOc3ccc4c(c3)OCO4)CCO2)cc1 1660389549 PGSNJKMMKKQUHD-NRFANRHFSA-N 409.442 1.855 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCC(C(=O)OCC)([S@@](C)=O)CC1 1669104720 LBDYOOYTPCWBBP-MUUNZHRXSA-N 406.504 1.684 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2cccc3c(Cl)ccnc23)c(=O)nc1O 1670465162 BOFFEORXBAVHFP-UHFFFAOYSA-N 405.823 1.001 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1 1671280181 STWUQLNHVGRJND-NRFANRHFSA-N 414.462 1.892 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 1671950418 SYLGJNGLEAXHLR-INIZCTEOSA-N 408.499 1.262 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C(N)=O)c2ccccn2)cc1 1673398544 MHTVCLBNLPCPRW-INIZCTEOSA-N 403.464 1.236 30 10 HDEE C=CCn1cc(CNC(=O)NCC(=O)Nc2cc(Br)ccc2C)nn1 1676726693 LMXDKWAAZGHZQC-UHFFFAOYSA-N 407.272 1.973 30 10 HDEE C=CCn1cc(C(=O)N(C)CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)nn1 1678447381 OZKPGVQUUUJYJN-KQHFAPEESA-N 401.511 1.490 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1689826159 IVXGKVLMVBQKHQ-CYBMUJFWSA-N 412.885 1.496 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1689908120 XKUNWJSIDUFNRU-MRXNPFEDSA-N 410.526 1.751 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(COC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689980641 VMMRXVWERONVFL-QGZVFWFLSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1689993107 VQLVPCFXSZYQKP-KRWDZBQOSA-N 402.520 1.719 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689996474 IROGEDTXARHPPF-OAHLLOKOSA-N 423.564 1.531 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1690011234 HGFUVSTVACFGQV-GOSISDBHSA-N 400.490 1.815 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1690124816 VBTAEISTSSLPSB-MRXNPFEDSA-N 418.448 1.582 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(C)=O)C1 1690245694 LVCBSJBMHMUAQW-DFEOGRTESA-N 416.526 1.315 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(c2cncc3ncnn23)CC1 1690354097 FCXJNQFYKXVPOB-UHFFFAOYSA-N 403.878 1.331 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(C(N)=O)CCOCC1 1690615522 IRNCZXJIAIYPPG-UHFFFAOYSA-N 400.483 1.261 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CCSC 1690670791 IWUHSYGWJBOCCM-KGLIPLIRSA-N 415.585 1.060 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)N(C)C)C1 1690712434 VRWZITZUEPIAES-INIZCTEOSA-N 404.515 1.050 30 10 HDEE CC[C@@H](C)[C@@](C)(O)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1693927939 BYZFRTPYDRAEEX-VLIAUNLRSA-N 400.531 1.624 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1705487155 STOMXHZWOXIFSL-SJORKVTESA-N 411.506 1.895 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705529145 FNQFJZIUCJHJSM-OAHLLOKOSA-N 410.478 1.590 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CC2)CC1 1705647168 BUNPNUQAGRMFJP-HNNXBMFYSA-N 416.551 1.091 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2CCOCC2)CC1 1705650263 NXXJAVRLRBQFHK-UHFFFAOYSA-N 422.533 1.656 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705753872 KQPLBDHEHXZMGO-ZIAGYGMSSA-N 408.890 1.397 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1705836387 QYTUQKZFRCQDIO-UHFFFAOYSA-N 402.318 1.713 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CCOC)CC2)C1 1705925019 JPRGEEHLJUVVFD-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1706748988 NKMSFLGOPIKOFY-ZDUSSCGKSA-N 403.512 1.501 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)N(C)C)cc1 1707567349 HZTAOZNUAAQJBS-OAHLLOKOSA-N 400.508 1.696 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1711520882 GGTRZOPKCDDAJI-DOTOQJQBSA-N 410.478 1.575 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2cnnn2C)c1 1722307527 YTQZUAITEJEYQV-GOSISDBHSA-N 420.477 1.363 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)N(C)CC)c1 1722308486 BEBOFVPZQDLLRL-KRWDZBQOSA-N 424.505 1.317 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1722380664 UIYGVEAPTFWWQO-JOCHJYFZSA-N 404.474 1.426 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(N)=O)CC1 1722532537 OWLNKRMUHHTBQV-UHFFFAOYSA-N 416.482 1.300 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2ncn(C)n2)CC1 1722560951 IQNJGXMFGPJEHG-UHFFFAOYSA-N 413.507 1.682 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CCOCC2)CC1 1722579062 HWYQUOQSRGDGJO-QGZVFWFLSA-N 402.543 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)C1 1722717473 BBQCBZIQOWJSRC-DOTOQJQBSA-N 420.539 1.052 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)C1 1731181939 RCXJNRVMHMUWLY-GOSISDBHSA-N 416.413 1.837 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740565235 OLWFUILAAOWEJN-MSOLQXFVSA-N 402.543 1.377 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740625633 HBQCHJKAQRJFAG-HOTGVXAUSA-N 410.540 1.307 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740626168 JXYRFIATHPAEGN-HZPDHXFCSA-N 410.540 1.224 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1740691699 BELOKFJNUWZCOL-OAQYLSRUSA-N 420.517 1.768 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCCCC2)CC1 1740694402 ISXXTAWBEOLHRO-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)CC1 1740759644 DMTUHTQCDICWTM-FHWLQOOXSA-N 405.543 1.532 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C)CC1 1740884767 MATFZPPRVCJPRJ-UHFFFAOYSA-N 423.525 1.696 30 10 HDEE C=CCN(c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1740911768 FVLHIEKMBVKQDC-NRFANRHFSA-N 416.547 1.882 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cc(F)ccc2F)CC1 1740964199 KQJRVEIJMOFIFD-UHFFFAOYSA-N 420.464 1.722 30 10 HDEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1745232178 ANILWLAHFDCCGS-YWZLYKJASA-N 417.535 1.991 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cccn(CC)c2=O)CCOC1 1746645879 AUSJKAKVVLLOFI-HRAATJIYSA-N 414.510 1.898 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1748716551 YEGOKFDUZVKUTR-IBGZPJMESA-N 420.521 1.984 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1748907234 QFJDFHQHOAYPRG-UHFFFAOYSA-N 417.602 1.682 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)cc2)CC1 1749011017 XZWURFLBKVDWCK-IBGZPJMESA-N 423.517 1.805 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749037129 BDNRXMNYJVQBKA-ZBFHGGJFSA-N 404.540 1.189 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCCCO1 1749053995 NPDBQWKYBJOBLE-TXPKVOOTSA-N 409.556 1.840 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1749085437 BKPUYCIBSQOZJV-QWHCGFSZSA-N 400.277 1.639 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749210298 GQCXXWZIMNZRDH-LJQANCHMSA-N 406.487 1.040 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1Cc1nncn1C 1749532007 RRKHAEZXFAIHEO-UHFFFAOYSA-N 414.477 1.920 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC=CCO1 1749593876 BGMHBFZMNGNQFN-IBGZPJMESA-N 422.493 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](OC)C(C)(C)C1 1749667083 SKXYCLXGZHBQSE-OAHLLOKOSA-N 416.482 1.169 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2[C@H]3CCC[C@H]32)n1Cc1ccc(C#N)o1 1751204490 PHNDOPHWXGYRCV-DANNLKNASA-N 404.496 1.636 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1751262476 FOCJUUVOUFPJNC-ZIAGYGMSSA-N 424.502 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1CCN(CCN(C)C)CC1 1760204477 QWXHMKNCEWZPIV-UHFFFAOYSA-N 419.577 1.610 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCN(C)C1 1760212838 GPLMNCQUAXQDPP-QHCPKHFHSA-N 423.517 1.492 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760236566 AUKFPZQOFAABPS-VXPUYCOJSA-N 405.462 1.250 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1760242617 JOIQLSQEURBXHP-HNNXBMFYSA-N 403.449 1.751 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(OC)CCOC1 1760245197 VMRSKAVVKJTPDQ-FQEVSTJZSA-N 415.450 1.745 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1nc2ccccc2[nH]1 1760248334 IWKNXOAJJFEAFM-GOSISDBHSA-N 421.505 1.824 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(F)F)CC1 1760260560 XJHOCBODAXXLKT-UHFFFAOYSA-N 422.436 1.390 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)nc2)CC1 1760261363 PYEAQDRRYRNNNK-UHFFFAOYSA-N 413.913 1.252 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cnn(C)c2)CC1 1760264094 BHJRRWWHNDJNIX-UHFFFAOYSA-N 421.505 1.403 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)OC)CC1 1760266501 AVCTXUDWDCPISY-INIZCTEOSA-N 411.506 1.954 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(N)=O)C1 1760323942 HQCGMCIPFKEHGS-WSTZPKSXSA-N 410.522 1.947 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760527121 NFNXFGOVUDYBBN-IEBWSBKVSA-N 416.570 1.470 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1762034150 GMRNKRHPAANIKR-LSDHHAIUSA-N 411.510 1.822 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)cs1 1762297632 WUCBRAYEKTTYPU-HNNXBMFYSA-N 417.539 1.667 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1769217527 WFKYSPUIAGRKFA-QGZVFWFLSA-N 412.494 1.728 30 10 HDEE COCCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1771275998 POVNSCPPDGLVPP-AWEZNQCLSA-N 407.421 1.539 30 10 HDEE N#CCCN1CCN(C(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)CC1 1848533243 FELGEBLJDBFOAB-UHFFFAOYSA-N 418.461 1.866 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1850476090 XCIHTGBANMEKMR-LJQANCHMSA-N 420.535 1.296 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1853688440 XMGVQGPUNRZOQP-INIZCTEOSA-N 402.886 1.319 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854199210 HRIVXMLDVPZCIV-IEBWSBKVSA-N 419.547 1.723 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-n3cccc3)ccn2)C1=O 1854208950 BSWOCLZDTJYEJW-RBUKOAKNSA-N 407.474 1.332 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1 1854689161 WOJYGVCUAWTYHX-CQSZACIVSA-N 415.446 1.688 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CC(C(=O)N4CCCC4)C3)CCC2=O)cc1 1854837066 HOPALGLTOJABHW-IBGZPJMESA-N 408.502 1.420 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccnc4ncccc34)C(=O)C2)C1 1855047834 YXBQUSSLOOCFPG-IAGOWNOFSA-N 406.490 1.681 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCO3)[C@@H](C)C1=O 1855129230 IQJJZQXWCYLMTJ-KBPBESRZSA-N 408.476 1.766 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C[C@@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)cc1 1855576565 OQRGHSGZILAXNK-LPHOPBHVSA-N 407.474 1.807 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855776637 ZLGWAALPZKMZTA-KRWDZBQOSA-N 404.492 1.482 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3cncc(Cl)c3)C2)C1 1856386617 QJPFGGWVANIEFR-CYBMUJFWSA-N 411.849 1.754 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3CC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)c2c1 1856552862 LXDMWJFMLRQOGA-JKSUJKDBSA-N 408.458 1.656 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@@H]1C 1856861079 KSJQLCZQJKEFFT-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE Cc1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Br)o1 1873527286 SLNVKCZJBGBZRR-JIURPICXSA-N 415.269 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 2118167743 KBCPENMSQOBXPJ-YMXBGEKHSA-N 406.530 1.184 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174781166 CLESTPDCAGGKLH-CQSZACIVSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174789572 RXBNGZZZAQUSRB-RMKBEBRYSA-N 414.509 1.749 30 10 HDEE CC1(C)OB(c2cccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2F)OC1(C)C 2247767829 GQYLBXUSOJIASR-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247841387 VXSCOPISBDDKQA-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)C1 2264025721 XTHYBEFMYQFHHH-ROUUACIJSA-N 406.508 1.858 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282300740 KOIIYZNMDMABAF-ZDUSSCGKSA-N 400.375 1.634 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C)CCC[C@H]1O 2282306319 LPAQBWMZDCFNOX-CXAGYDPISA-N 401.359 1.938 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccsc1Cl 2282330379 YTTWXZZIPBPNNC-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE COC(=O)C1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282341697 WKEDOICVNFLJRE-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE C[C@H](N)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282489144 CQDQKCOIENHREQ-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CNCCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495242 JVOGSIXCKRQAQG-CYBMUJFWSA-N 400.375 1.561 30 10 HDEE C[C@@H]1CCO[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282495715 QEZDEIRXUXYCNA-YPMHNXCESA-N 402.347 1.287 30 10 HDEE CNC[C@H](C)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282497662 SZKQDIYQUZMTSZ-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE C[C@@H](O)C1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282507703 LMKFNGROPYJUMV-LLVKDONJSA-N 401.721 1.641 30 10 HDEE C[S@@](=O)C1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282512889 WILFJAOFUCMOKF-RUZDIDTESA-N 419.761 1.391 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282610595 YWJSLRPGLAKLGJ-ZHZWEUQESA-N 401.725 1.619 30 10 HDEE CC(C)(CNC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2282615678 QXGDXLZAJITWRI-UHFFFAOYSA-N 402.347 1.243 30 10 HDEE CC[C@@H](O)[C@@H](CC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837734 GUSAMZJLPMOCNP-DGCLKSJQSA-N 404.363 1.411 30 10 HDEE CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855758 IXIIBXJJOIAOKA-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE COC[C@@H](CF)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866301 HAHMJLAXDBMGPR-LLVKDONJSA-N 407.700 1.902 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1OC 2282869904 JXBYVGJDNKEIFO-CHWSQXEVSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3CC(=O)O)s2)OC1(C)C 2284394406 XVEVOBOIJGMPDV-LLVKDONJSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@]2(C(=O)O)CC2(C)C)OC1(C)C 2284402270 HYQXYFCQPWWUFU-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CC(C(=O)O)C2)OC1(C)C 2284413686 AVFAQQSLGJMLLM-UHFFFAOYSA-N 401.315 1.330 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)CC1(C)COC1 2287106539 JYPAFOKDVQIXSB-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE CCc1nsc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n1 2288834436 OLERGTUURHDMPU-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccnc2)C1=C(O)c1ccc(F)cc1 2296924039 ODZIGACSOZZZTR-IBGZPJMESA-N 411.433 1.975 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@](NCCC#CBr)(C(=O)O)C1 2306023063 OFWYBXKISGCURM-WBMJQRKESA-N 405.289 1.801 30 10 HDEE CCc1csc(C#C[C@H](O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338650069 ZEMPXSGJJJBTKS-KBPBESRZSA-N 402.538 1.746 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2339661811 IDXJIWVOARVNJF-KBPBESRZSA-N 408.501 1.917 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2365213699 XYEITCJFYNERKS-KXBFYZLASA-N 402.557 1.553 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367794843 BOWAJYKXPPWWNP-BZUAXINKSA-N 401.525 1.590 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2367799744 CVBFZZGPMGTNAA-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2367808807 HBSNALITBBTWEN-VKJFTORMSA-N 400.541 1.306 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N[C@H](C)CC)CC3)cc2C1=O 30252650 ZKIWVNZGYOZOMI-OAHLLOKOSA-N 412.490 1.141 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cc1nn(C)c(=O)c2ccccc12 47010394 UWPWTQYKBZMSEM-UHFFFAOYSA-N 403.486 1.938 30 10 HDEE C=CCn1c(COc2ccccc2F)nnc1SC[C@H](O)CN1CCOCC1 61716611 BSDCEQBKRQXOAP-OAHLLOKOSA-N 408.499 1.967 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 238967844 ZDDXZEDMGYDNPH-CQSZACIVSA-N 416.459 1.742 30 10 HDEE C=CCNCCn1cnc(I)c1I 308206997 ZOCVSWQGRPIFJJ-UHFFFAOYSA-N 403.005 1.868 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 392744406 MNSROVFRJDSLOT-NSHDSACASA-N 406.869 1.368 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)C1=O 410178986 PLJRJUSBAYVSPW-SOLBZPMBSA-N 401.511 1.354 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)N2CCc3ccccc3C2)cn1 461752765 WLLVHGYGDDIYTA-UHFFFAOYSA-N 401.430 1.845 30 10 HDEE COC(=O)[C@H](c1cccc(Br)c1)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 462121903 IKXUAHDCUPBCBL-HZMBPMFUSA-N 406.240 1.846 30 10 HDEE CCOCc1nc([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)no1 462304061 UZZVNMJAQCQQIW-QWHCGFSZSA-N 400.443 1.249 30 10 HDEE COc1ncc(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472839603 MEUJJLCGPJIGIY-UHFFFAOYSA-N 415.475 1.809 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ncccc2OCCCC#N)C1 481286919 PXACTEGYWZRAJP-CQSZACIVSA-N 410.500 1.156 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 484465531 HRMKUVVQSWTLMK-FQEVSTJZSA-N 423.469 1.847 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1F 489098360 HDXDWAUZALNBEN-UHFFFAOYSA-N 402.451 1.856 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 489914777 BBEIFRIJMWDKQA-MAUKXSAKSA-N 418.457 1.915 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503114503 FKSMNDPQTZAPLC-MOPGFXCFSA-N 411.506 1.749 30 10 HDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H](CC(N)=O)N2C=C(C(C)=O)C=C[C@H]21 504706834 FFNCCEPTDSCWGF-RUOSDFBUSA-N 409.442 1.433 30 10 HDEE biogenic C=CCn1c(CCOc2ccccc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 508885325 OOBDZVPHJWMSMQ-UHFFFAOYSA-N 419.551 1.946 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CCC1 521116099 DJKUJIRJEVWBRQ-UHFFFAOYSA-N 419.475 1.295 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1n[nH]c2nc(=O)c(C)nn12 524517389 CQHPOKGKHNMWBW-LBPRGKRZSA-N 413.463 1.557 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCCNC(=O)[C@H]2Cc2ccccc2)c(F)c1 549512244 OLSNBKXYHMWTPX-LJQANCHMSA-N 401.463 1.960 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCCC1 549985192 ZAPWTWQJMMUGHC-UHFFFAOYSA-N 406.464 1.766 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)CC1 571475964 YSGUPSAXHZXQFY-UHFFFAOYSA-N 424.549 1.678 30 10 HDEE CN(c1ccc(CNC(=O)NCCOc2ccc(C#N)cc2)cc1)S(C)(=O)=O 610351869 LTCFKVMSPKMQFW-UHFFFAOYSA-N 402.476 1.832 30 10 HDEE C[C@@H](OC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C(=O)N(C)CCC#N 729591169 AZVAGDQNBIVJHR-CYBMUJFWSA-N 401.444 1.652 30 10 HDEE N#C[C@H]1CN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CCN1C1CC1 732650368 PEVDXWWMKVLNLT-KRWDZBQOSA-N 417.473 1.652 30 10 HDEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)cc1 735012752 GQFILGXSPQCNEO-SFHVURJKSA-N 410.478 1.413 30 10 HDEE Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2C)c1 747477318 BVUNBDREFIHJBZ-SFHVURJKSA-N 406.490 1.935 30 10 HDEE CN1C(=C2C(=N)N(CC(C)(C)N3CCS(=O)CC3)CC2=O)N(C)c2ccccc21 752721230 BFCXYLGEVYWMFF-UHFFFAOYSA-N 415.563 1.489 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 755683533 LBQBRGVZWCBYGX-IBGZPJMESA-N 417.462 1.884 30 10 HDEE CCC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 761848363 GVWXNEGTWQGYEE-GJZGRUSLSA-N 406.483 1.904 30 10 HDEE CC[C@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCN1CC(F)F 765714641 GFLWAFJYGRBNFW-JXFKEZNVSA-N 405.449 1.944 30 10 HDEE O=C(Cc1cccc(OCc2cccnc2)c1)NCCN/C(O)=C1\N=CC=CC1=O 770748523 HEGPRSFIQQDHQE-QURGRASLSA-N 406.442 1.846 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2nnnn2C)C1=O 771543968 UNEHEXFUPQGCLI-INIZCTEOSA-N 423.502 1.674 30 10 HDEE CCOc1cc(C#N)ccc1OS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 773335012 WLFIWRBZSQFKMO-UHFFFAOYSA-N 402.494 1.337 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152565 HEPSBVPNPAMRSP-IRXDYDNUSA-N 404.467 1.481 30 10 HDEE Cc1ccccc1[C@H](CC(=O)O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 776673422 POEGVYUIWNIQAI-HNNXBMFYSA-N 401.444 1.366 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782414011 IGZSJIUXZWXRRA-VBKZILBWSA-N 411.499 1.999 30 10 HDEE CCc1ccccc1N=C1S[C@H](CC(=O)NC)C(=O)N1CCCn1ccnn1 784129031 RSQYHNRKTRXDMV-MRXNPFEDSA-N 400.508 1.998 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(C(C)C)n[nH]c3C)CC2)o1 786340405 LNBUEXMEYTZMSP-UHFFFAOYSA-N 400.439 1.515 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)ON=C(N)c1ccco1 789628153 UKHUZEPNYBVSOE-LLVKDONJSA-N 410.452 1.203 30 10 HDEE COC(=O)CC1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 792536105 UWCJZXWHWVMYTF-CYBMUJFWSA-N 407.492 1.496 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4cnccc4C#N)CC3)C2=O)C(C)(C)O1 793676366 ZMCSUTVQLBFDDF-NRFANRHFSA-N 412.494 1.301 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1C[C@H]1CCCO1 794580194 VTSBEVASIHPMLH-HZPDHXFCSA-N 414.483 1.181 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796424585 NGPSZKFVVVEMKW-JGGQBBKZSA-N 419.482 1.052 30 10 HDEE C[C@@H]1OCC[C@H]1N(CCO)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 797615759 DHUGEURZPHUBTI-SCBBOUAQSA-N 424.523 1.503 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1COC(=O)[C@@H](C)Oc1ccccc1C#N 797860171 CAYDMWDVLLPKNQ-OAHLLOKOSA-N 405.476 1.927 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 802626835 QLYDLAJDXOVFIY-KDOFPFPSSA-N 404.438 1.460 30 10 HDEE C#CCN(C(=O)CCc1c(C)c2ccc(OC)cc2oc1=O)[C@H]1CCS(=O)(=O)C1 918755947 HUSDOVJSUMKURD-HNNXBMFYSA-N 417.483 1.692 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)nn1C 1130178330 GRACCGLBZLLISJ-CHWSQXEVSA-N 417.491 1.650 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)c2cc(C#N)c(SC)nc2O)[C@H]([C@@H]2CCCO2)C1 1134203933 YDPWVPWCTWBEMF-UGFHNGPFSA-N 405.476 1.954 30 10 HDEE NS(=O)(=O)c1nc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)n2ccccc12 1137247167 VPHMRFWIDPRKNC-UHFFFAOYSA-N 422.388 1.782 30 10 HDEE CCOC(=O)[C@H](CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)C(C)=O 1143401949 CEQHHTKVGOVHCR-GOSISDBHSA-N 408.458 1.913 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156669848 LCJOJUIRVZJNRT-XLPNERPQSA-N 411.524 1.419 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](CO)[C@H]3C(F)(F)F)CC2)o1 1171490462 OQTLDDFIGXWCIA-BBRMVZONSA-N 415.416 1.139 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1 1175870442 FRLGGYSVCVPQTP-FQEVSTJZSA-N 408.483 1.966 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176709495 HVGXJWWUWMLQCR-FTLABTOESA-N 404.517 1.306 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1286324433 PGQCXWABAMIKPM-QGZVFWFLSA-N 420.539 1.154 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286335408 JVWMYPUNONHSJU-UHFFFAOYSA-N 424.571 1.080 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1286392648 JDIIFLWUQUOJMP-LSDHHAIUSA-N 421.548 1.222 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1286443675 LALYFKPJKUSXLR-UHFFFAOYSA-N 414.491 1.609 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1286474899 MRQIGYVVVRYOOT-UHFFFAOYSA-N 406.490 1.113 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)c(O)c2)CC1 1286482438 RIRASOAEQIRVME-UHFFFAOYSA-N 418.501 1.782 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)[C@H]1CC 1286496115 NLWKFLCZBGGELO-OAHLLOKOSA-N 406.556 1.278 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1nccs1 1286780852 JLXBWCNMLJEJNI-UHFFFAOYSA-N 412.479 1.321 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1286882622 IDWWQOHSJYJVMI-MRXNPFEDSA-N 411.510 1.347 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1300308818 QGKRNVFYOFBBPG-TWOQFEAHSA-N 402.520 1.546 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491819 IXSZPEOWDSOYDP-FXUDXRNXSA-N 405.524 1.073 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1300495193 FGEPVPGZXYKERR-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1300537889 LHUWRRJQWIOAFB-LJQANCHMSA-N 419.485 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1cccnc1N1CCOCC1 1300675209 OEPLJAMJDKMCEK-UHFFFAOYSA-N 410.522 1.597 30 10 HDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCC(=O)N(C)C)CC1 1300686279 ZJZUWUMGWDGCEM-UHFFFAOYSA-N 420.561 1.982 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1300696168 URVBAJNGOZMCGR-QGZVFWFLSA-N 403.490 1.592 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1300712415 RQMGQMFGSITHCE-UHFFFAOYSA-N 421.567 1.192 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1300762473 QFYQLHJAQWMSDJ-OAHLLOKOSA-N 400.570 1.409 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 1301148478 OZXZEBMUVWZNAA-KRWDZBQOSA-N 412.542 1.892 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1301221683 NIWLNUSRQHQTMO-DFQSSKMNSA-N 416.570 1.737 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301245007 CRMVSXDVAHJLJH-KRWDZBQOSA-N 403.483 1.781 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301249664 WFRDDJITAARIFN-GOSISDBHSA-N 415.542 1.430 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)OC)C1 1301578936 KUSOOXPBVKZJMQ-HNNXBMFYSA-N 421.523 1.274 30 10 HDEE CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1305827855 GNGAJNAHYCRBMC-MSOLQXFVSA-N 423.521 1.852 30 10 HDEE C#CC1(NC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CCCC1 1310105684 NYKAEYMHQPHFIK-UHFFFAOYSA-N 407.492 1.784 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C(=C)C)c2ccc(F)c(F)c2)CC1 1312534922 ILKZLZIOEABFIT-KRWDZBQOSA-N 412.462 1.377 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCNC(=O)c1ccc(Br)cn1 1312612510 LHYYVOURSOAADU-SWLSCSKDSA-N 411.300 1.854 30 10 HDEE CC[C@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)OC(C)(C)C 1313328917 VRGNCUXXEGIYIZ-LSDHHAIUSA-N 402.499 1.936 30 10 HDEE CCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1314488536 YXCDEHCHEONPBB-FQEVSTJZSA-N 411.441 1.670 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)C1 1320321916 PFBGIEKKEDVQCM-HXUWFJFHSA-N 414.550 1.663 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1358922326 BIAMGKPXZCPSQC-UHFFFAOYSA-N 419.445 1.923 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358933318 PCRBELWACYCOLH-UHFFFAOYSA-N 424.509 1.074 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1358937401 UALSOASJBLVJDJ-ZMMAXQRCSA-N 401.511 1.663 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960469 FOPCWNIXPHVQEE-OAHLLOKOSA-N 400.508 1.552 30 10 HDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1358965394 UJMZRZRBRJNNKD-KRWDZBQOSA-N 410.503 1.329 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@@H]2Cc3ccccc3[C@H]21 1358969101 GYLDHNGPXROIIJ-KCUHQSDYSA-N 423.542 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCOC1 1358973991 NBFKEYZSFRUHJH-KRWDZBQOSA-N 402.462 1.420 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1358977207 HKFMPAMLDHSPGH-HNNXBMFYSA-N 400.483 1.169 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(N2CCCC2)CCOCC1 1358980530 ZJFDXRLCTHXINQ-UHFFFAOYSA-N 418.545 1.982 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1359011648 GGKOKYQBFMUAIX-UHFFFAOYSA-N 421.505 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1359030821 GXRWBSDDUUJEPJ-WFXMLNOXSA-N 405.518 1.824 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)CN(C)C)CC1 1359030834 HNQSBANRWOEXPU-QFIPXVFZSA-N 418.586 1.273 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1359134906 LCBYROWWWHJJFA-UHFFFAOYSA-N 408.499 1.836 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1359216299 UABUUWWUKRJSFK-HOTGVXAUSA-N 407.540 1.348 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1359465431 CBZIDOLWBTXOJU-AWEZNQCLSA-N 415.523 1.601 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1359467134 NKAGADDYHLTKRB-DYESRHJHSA-N 421.542 1.846 30 10 HDEE C/C(=C/C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CN1CCOCC1 1440528697 KDVIRHXAOGTBJO-SSZFMOIBSA-N 411.462 1.733 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC(C)(C)C 1441257267 VPLJOFRXAYEEBI-GFCCVEGCSA-N 411.952 1.856 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1443671649 UPKOYNTUIVQTLN-ZBFHGGJFSA-N 405.296 1.684 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCc3cc(C#N)ccc32)cc1 1451246720 HNKTZFOAVQLMMO-UHFFFAOYSA-N 413.455 1.603 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(N4CCOCC4)C3)C2)C1 1452679323 HFIHCVRDOGXMGA-ZGOJQLDESA-N 404.511 1.316 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)CC1=O 1453387113 CRISJLMVJQQZGB-DLBZAZTESA-N 415.563 1.601 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1453844308 XJYVXNOULFPMEP-BXBHGGAKSA-N 422.572 1.685 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cn1 1454554709 RADCRFDTUGMHFV-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1S(C)(=O)=O 1458377305 OGZJKVZFBBDQHE-NSHDSACASA-N 400.298 1.356 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 1465278612 QTTSYPOHFWQITQ-UHFFFAOYSA-N 402.454 1.659 30 10 HDEE Cn1cc([C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C(F)(F)F)cn1 1467618028 NFSBTGCGWQSKBI-ZDUSSCGKSA-N 404.345 1.890 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1473488696 QKEXEKULIWYDQS-JOCHJYFZSA-N 411.506 1.714 30 10 HDEE CC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1499550685 HWSZGPFYNDKNQB-HFUDNHEJSA-N 415.498 1.179 30 10 HDEE COCc1nocc1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1504658094 BFWNKIUIYNBIBM-MRXNPFEDSA-N 412.425 1.919 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1507593673 SVOYKOUHICBWLD-GOSISDBHSA-N 411.510 1.224 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCc2ccccc21 1507713215 ZWQRNNCIQAGMFW-PGRDOPGGSA-N 409.490 1.149 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)NCCC)CC1 1507724642 TZULRKPECMVUSL-UHFFFAOYSA-N 424.549 1.549 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507845385 ZWCHUPMOYCRFEH-KRWDZBQOSA-N 415.494 1.930 30 10 HDEE C=CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1507924582 PKCFNHXLDSKFCT-ZWKOTPCHSA-N 408.506 1.868 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](COC)C1 1508083716 ALTKHUDIOQTYSV-OAHLLOKOSA-N 404.540 1.799 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@](C)(CC)C1 1508083749 BXVGZVZFGUZGEK-QFIPXVFZSA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1508092004 ONJSXHFXKXVLII-ROUUACIJSA-N 413.526 1.590 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1508234370 ABIFIUSRZCFCEO-RBUKOAKNSA-N 410.478 1.025 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1509948645 BKGWTLMMMNXWRG-HZPDHXFCSA-N 417.539 1.816 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)cc1 1515902650 QCVVJZORIQYXJM-SFHVURJKSA-N 417.491 1.667 30 10 HDEE CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516971315 AFRRNYBADCZTNZ-SJORKVTESA-N 402.462 1.567 30 10 HDEE CS(=O)(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CCC1 1519502908 DHNFEFHNUQVFRI-UHFFFAOYSA-N 420.539 1.221 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@@](C)(C#N)CN(C)C)CC2)c1 1525356439 GTKKWPFQFDTCTC-NRFANRHFSA-N 402.495 1.516 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC2(C#N)CCOCC2)cc1 1525683520 GHMAKWRRMCXCRD-OAHLLOKOSA-N 417.462 1.643 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccnc(F)c3)CC2)ccc1F 1526008316 MZMLJOKWXLTRKI-UHFFFAOYSA-N 422.457 1.787 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)n3)c2)CC1 1526552381 CCLKDGBJWNJXPR-UHFFFAOYSA-N 413.459 1.058 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1530734452 GPVDMCFYLBAWGC-MRXNPFEDSA-N 422.503 1.013 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN2CCOC[C@H]2C)c1 1539043705 TXNQXLZWKHITGB-QGZVFWFLSA-N 422.533 1.932 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1539343488 KXLHGVZICJBPFW-ZDUSSCGKSA-N 409.487 1.544 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)Oc2ccccc2)CC1 1539446227 VPCURMLKBLGKAO-GOSISDBHSA-N 403.490 1.958 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)N(C)C)CC1 1539452119 LLLPKAWRLNSHMN-UHFFFAOYSA-N 416.476 1.381 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOCCC=C)CC1 1539475798 OKWYFIRIQHHARQ-UHFFFAOYSA-N 408.506 1.899 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1539481077 ICFACAFTCGHGII-CDMIOBSGSA-N 417.554 1.545 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540866054 BDHTVWZTADPUNM-OAQYLSRUSA-N 412.494 1.218 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(N)=O)c2)C1 1540881556 MCZAEPGQFKTYJX-SFHVURJKSA-N 424.505 1.443 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1NC(=O)CC1(C)C 1545832555 TWPRBGULCALDBN-UKRRQHHQSA-N 403.531 1.707 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1554423870 WGPBZJTYCOTPFS-GBESFXJTSA-N 424.505 1.319 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1554516322 CTYMAVWLDUJYBK-QGZVFWFLSA-N 406.450 1.498 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)C1 1555986693 ROCPKPNLYQTKJT-HNNXBMFYSA-N 404.368 1.769 30 10 HDEE N#Cc1cn(CC(=O)NCCc2cc(F)cc(OCc3ccccc3)c2)c(=O)nc1O 1558573095 MXLMMPTYGCEHBK-UHFFFAOYSA-N 422.416 1.898 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C[C@@H](O)c1cccc(C#N)c1 1559976417 SOESXRQNPTYTPY-LJQANCHMSA-N 416.503 1.412 30 10 HDEE C=C(C)CS(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1561941599 DKMDGAHCRYDFDT-CQSZACIVSA-N 402.513 1.815 30 10 HDEE C#CCN(C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1564964458 DUVHYUNYZWOPOK-INIZCTEOSA-N 415.556 1.903 30 10 HDEE N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1586653596 KZTKFGXSQRMHQR-HOTGVXAUSA-N 409.471 1.894 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c1 1587762839 DGKHCZOTGAMRCE-INIZCTEOSA-N 406.504 1.193 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@H](C)C1 1587823467 RGXXNRWYLOTRQO-MRXNPFEDSA-N 417.535 1.834 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1587851608 KOOPDECEGWIQDC-MSOLQXFVSA-N 424.567 1.963 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1587889026 ROSNHRWOEQBDJR-UHFFFAOYSA-N 416.570 1.799 30 10 HDEE C[C@H](CC(=O)Nc1cccc2c1NC(=O)CO2)/N=C1/NS(=O)(=O)c2ccccc21 1588160013 KEKXIEWHJRPULU-LLVKDONJSA-N 414.443 1.473 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1588836654 NHYMDTZRRIYQIK-QGZVFWFLSA-N 422.599 1.046 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1589070409 SRTBNYRLGGLHFZ-HOTGVXAUSA-N 412.581 1.409 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593696318 NIPNXZSTSQKSDJ-HOTGVXAUSA-N 416.530 1.916 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594003507 BYYXDAHBMUWZCS-ACJLOTCBSA-N 408.890 1.697 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C2CCC2)CC1 1594096545 CXSSKIOFSZGXND-QGZVFWFLSA-N 421.567 1.643 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC)n1CCN1CCN(C(C)=O)CC1 1595261229 PFZZQJDSEDVVRZ-UHFFFAOYSA-N 400.527 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595500962 HLYYSWAVZWWANW-MRXNPFEDSA-N 400.483 1.453 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1595536998 KXPAQRDCWPKZNC-UHFFFAOYSA-N 424.571 1.098 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CC=CCC2)C1 1595680366 JGIGHGAWKJQWCV-KNQAVFIVSA-N 417.554 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1C(C)(C)C 1595830575 DGPYZNOHRZQECM-LSDHHAIUSA-N 409.556 1.233 30 10 HDEE C#CCN(C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1597138555 MYLVHUGJJRUTED-OAHLLOKOSA-N 424.523 1.060 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)c1 1603052873 NLASZYOHEPBFRY-UHFFFAOYSA-N 401.473 1.988 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1613011386 QZACXSKICKQRQT-QFBILLFUSA-N 413.478 1.759 30 10 HDEE C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781081 MPQILNGSQLMHMS-GOEBONIOSA-N 418.494 1.260 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1618506108 FDWWBVBBANCCEG-CQSZACIVSA-N 422.497 1.289 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCNC(=O)C2CCC2)CCO1 1620356052 RBGBXCPUJIEEBB-SFHVURJKSA-N 409.494 1.299 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)CCO1 1620357218 SOAHVYPEEZXSQZ-HXUWFJFHSA-N 408.506 1.890 30 10 HDEE O[C@@H](CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCOCC1 1620633642 WZVNIBQTBTUXFK-AEJSXWLSSA-N 413.305 1.992 30 10 HDEE C#CC1(O)CN(Cc2nc3cc(S(=O)(=O)N4CCCCC4)ccc3n2CC)C1 1620645553 ARXCXUAKPZYTNG-UHFFFAOYSA-N 402.520 1.411 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2OCC)CC1 1622965966 NEFGFPDNCPPFCY-UHFFFAOYSA-N 400.888 1.356 30 10 HDEE Cn1cc([C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C2(CO)CCC2)cn1 1624824358 VVUPNIYPULWWLA-OXJNMPFZSA-N 407.474 1.665 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)Cc1cccc(OCC#N)c1 1626313073 CHTJEIFPYAPOGZ-UHFFFAOYSA-N 421.450 1.455 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1626560022 HTVDEPYQMLEADP-WUZYXKQASA-N 423.554 1.679 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1629968437 GRHJCGSQRKLZNV-LJQANCHMSA-N 402.455 1.455 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 1631611729 WMTUZWADMBZDCY-UHFFFAOYSA-N 414.487 1.757 30 10 HDEE CN(C)[C@@H]1C[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C12CCC2 1634106222 YFXWJEIBWQMBPW-FGTMMUONSA-N 409.490 1.752 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCCO1 1634469026 CIPJSLLBVUKDHR-UYAOXDASSA-N 404.474 1.961 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1634636826 SJCMDFQKRYIIDE-UHFFFAOYSA-N 409.552 1.596 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1636699302 IDHDVXFXONUFSK-GOSISDBHSA-N 408.520 1.733 30 10 HDEE C=CCOC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2cccc(C)c2)C1=O)C(=O)OC 1638630710 URPAORWUCMDIAC-HZPDHXFCSA-N 403.435 1.060 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2ccnn2)CC1 1641501358 GWDIHEDLJXQRRT-GDBMZVCRSA-N 402.480 1.070 30 10 HDEE C[C@@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@]1(C)C(=O)NC2=O 1644116580 NDFCCFFIRJSFGW-KDURUIRLSA-N 407.392 1.158 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 1645273814 ILFMRSOESDYBBS-OAHLLOKOSA-N 404.517 1.771 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C[C@H](O)CC3(C#N)CCC3)C2)C(=O)C1 1645344801 PWNDIZDZKASOAK-ZWKOTPCHSA-N 420.554 1.975 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CCOCC2)c1 1645666054 GXLPSZQPLXEZJY-RTBURBONSA-N 406.442 1.651 30 10 HDEE C#CCN(Cc1nnc2c(=O)n(C)ccn12)C1CCN(C(=O)OC(C)(C)C)CC1 1648319093 YUDDSZMMBXKYON-UHFFFAOYSA-N 400.483 1.263 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(-n3ncc(C(=O)OCC)c3C(F)(F)F)cc2)C1 1648355458 JHRWVYRHBOODAB-UHFFFAOYSA-N 407.348 1.888 30 10 HDEE C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1CS(N)(=O)=O 1648472856 APHFTQHWCFIHJP-HIFRSBDPSA-N 417.453 1.030 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1 1653698310 WRGSWYXCFFYFFQ-SFHVURJKSA-N 406.504 1.502 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1654449257 IQFBLGMOGFGNCF-GJZGRUSLSA-N 419.403 1.629 30 10 HDEE CCOc1cccnc1N1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1655592353 GLBYGOBELLHBOW-IBGZPJMESA-N 414.554 1.295 30 10 HDEE C#CC[C@@H]1CCCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1659142982 YSPOCNRDKLOKHA-WOJBJXKFSA-N 417.575 1.952 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1661322810 AMDFLBJGULUURA-OLZOCXBDSA-N 400.526 1.673 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(CC(F)F)C2)cc1 1667956194 KXTPJZXYVCVADU-CQSZACIVSA-N 402.467 1.954 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)cc1 1667956660 POBJVECPIWIHKD-MRXNPFEDSA-N 406.508 1.626 30 10 HDEE C#CCN(C(=O)Nc1cnn(Cc2ccc(OC)cc2)c1)[C@H]1CCS(=O)(=O)C1 1671166626 WQDFXQBNAKGMRE-KRWDZBQOSA-N 402.476 1.594 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1671635178 QQTAGLOFITYSBV-UHFFFAOYSA-N 414.549 1.563 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1 1677581706 OLXBOOQWOOLISA-SFHVURJKSA-N 406.552 1.612 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1682226072 BODKGKMWZYIYQA-OAQYLSRUSA-N 419.485 1.795 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1682617083 NEYSZFTVDVGGNQ-NEPJUHHUSA-N 405.929 1.761 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1683007732 QSBWDNHFRYHIRU-INIZCTEOSA-N 406.439 1.220 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1 1684082406 ASRRLVBWRDNRKY-HOTGVXAUSA-N 408.424 1.903 30 10 HDEE CO[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCSC1 1684262581 FHAUNJRSHOXXCX-SFHVURJKSA-N 424.548 1.096 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(CC#N)cc3)CC2)cn1C 1686890072 XZPPMKMPWFRHSE-UHFFFAOYSA-N 416.507 1.011 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689980621 VJUVACDKAQRMDU-IXDOHACOSA-N 408.568 1.875 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)C1CC1 1690010104 VZWVBLJJRPILSJ-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1690063583 IOTRGHFTDSJCNZ-UHFFFAOYSA-N 412.519 1.784 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690496711 VZRUBNYRVIZPLS-HUUCEWRRSA-N 400.487 1.628 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1690496712 VZRUBNYRVIZPLS-LSDHHAIUSA-N 400.487 1.628 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCOCC2(CCC2)C1 1690674014 LWMDPCUHHZNSRK-UHFFFAOYSA-N 416.551 1.943 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1CCOC1 1692787349 YIBJIISUXXZPHK-MPGHIAIKSA-N 410.544 1.445 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 1696593440 NESOGGGWWIQXEP-LJQANCHMSA-N 423.521 1.806 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1697998169 YARNUIPHBLCQTO-IBGZPJMESA-N 407.478 1.955 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F 1705573833 OTNJDONOFAQJMI-OAHLLOKOSA-N 403.483 1.457 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1705598902 CVNGEVOREHPOII-UHFFFAOYSA-N 419.464 1.624 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1705618387 FLEDTZKADHGXOO-GSVIPDFHSA-N 417.554 1.859 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@](C)(O)CCC)CC1 1705638394 JMBDOHOSKSBWDV-NRFANRHFSA-N 414.510 1.312 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705755158 NCOULIZNJVWHRV-KBPBESRZSA-N 410.931 1.660 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cccs1 1705902348 CIYHKDMPLXKWEF-CQSZACIVSA-N 423.564 1.223 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705902633 ITUHJEWHUYBTCM-OAHLLOKOSA-N 415.498 1.334 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 1705910070 QJAPCURJHFZVHD-GOSISDBHSA-N 410.478 1.672 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CC1CCOCC1 1705931931 GAVFSKGYBCIMEX-UHFFFAOYSA-N 407.540 1.747 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1705946194 BJLGRTXJQMKOHK-OAHLLOKOSA-N 400.570 1.308 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1722292667 AHNCJGIJYPUUHD-PKOBYXMFSA-N 415.563 1.770 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722294395 GYGFZMVVXZQLAB-HUUCEWRRSA-N 417.539 1.004 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC=C)cc1 1722351982 MOAMXAOLOYGISF-KRWDZBQOSA-N 400.504 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C 1722426354 AISSCVVCZGCGLY-HRAATJIYSA-N 418.469 1.622 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CC)CC1 1722431981 UOJSLJYSOZKHLI-RTWAWAEBSA-N 405.543 1.235 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1722464877 VBFBUTFUACNMSO-JYJNAYRXSA-N 407.540 1.083 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)NC(C)(C)C 1722476545 ZPMGFJNQDVVMBB-OAQYLSRUSA-N 400.527 1.697 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722482131 FMZDWVAIMSYDEH-MCIONIFRSA-N 401.305 1.931 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(C)(=O)=O 1722505211 IZPNKBODQIBWOX-ZBFHGGJFSA-N 408.528 1.141 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1722690182 AQFRORPUQCTWEY-OAQYLSRUSA-N 420.558 1.107 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722690330 IBRDPWCRXBYKPR-KRWDZBQOSA-N 414.558 1.540 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722725322 JBGXVBXLOBPGAD-IRXDYDNUSA-N 418.567 1.860 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)CC1 1728601424 AEHCGHGIRPCXHX-IAGOWNOFSA-N 404.563 1.038 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1728634829 GNNZIMJUUCFOJG-ROUUACIJSA-N 411.558 1.605 30 10 HDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729158191 VYGVVJJWOSEKLF-MSOLQXFVSA-N 410.478 1.715 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1730777666 HLLSDDICYOQWHS-GVDBMIGSSA-N 404.515 1.753 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740622588 FAZSAHWQQSENKK-GOSISDBHSA-N 416.551 1.653 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1740625867 IODCDCXTBPZYOL-KRWDZBQOSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1740639666 WWJLXCJEVHJVFR-MSOLQXFVSA-N 409.465 1.338 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCCN(C)S(=O)(=O)CC 1740735385 ODGWOKJLUFJNNU-VQIMIIECSA-N 409.556 1.793 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740758925 DCZNMXYTYJLHKZ-MMOPVJDHSA-N 410.522 1.912 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1740899025 DEYUGEQECGBJLZ-OAHLLOKOSA-N 400.508 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740955808 HOPKEPUNZZIJMY-OAHLLOKOSA-N 403.508 1.179 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1741847426 NOJJJCPHDQIZLT-OQIJWPOYSA-N 407.522 1.923 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1743466373 NZXDQEDRFJTEFD-CECAUBDESA-N 424.505 1.605 30 10 HDEE CCOCc1nnc(N2CCC(F)(F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747113242 KPYBAQLJAABGTR-NXVVXOECSA-N 410.425 1.577 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1747220478 NFLWXFHLPFRCHX-NVXWUHKLSA-N 416.457 1.027 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CCO1 1748209054 CUHYGTPBJZKMHL-SFHVURJKSA-N 412.494 1.321 30 10 HDEE C#CCN(c1nnc(C)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1748805763 VSIZWRFHWKQCST-DOMZBBRYSA-N 409.537 1.425 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748823752 BBIKUUOMWAIAJG-LSDHHAIUSA-N 416.494 1.877 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1748844490 SYVCWFKVSHUAMK-IBGZPJMESA-N 417.517 1.736 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(O)c2)CC1 1749010116 NTXHLRDZDSIONO-SFHVURJKSA-N 409.490 1.502 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCOC2)n1CCNS(C)(=O)=O 1749546634 CXLLLTBNYZKOPL-MRXNPFEDSA-N 423.514 1.663 30 10 HDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1749714192 ACXFFOKEDQCDBR-HNNXBMFYSA-N 420.539 1.828 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](OC)C1 1749725720 XGISJTPUQMDOHR-KRWDZBQOSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)C 1749733755 BLHNKXRWIXTXEI-AWEZNQCLSA-N 418.585 1.263 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1749954496 PYFDILNKKYWEFY-VQIMIIECSA-N 424.521 1.555 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1750217655 CWXTXOBKUFMJLK-SLQAJWMNSA-N 418.567 1.945 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C 1752318025 DMQSPSHFDJDUNE-CJNGLKHVSA-N 416.432 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760095346 MKESDQSFSKQZHQ-UONOGXRCSA-N 416.448 1.137 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1760116035 DNAHSBHBBMBGRY-UWVGGRQHSA-N 411.272 1.626 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCCNC(C)=O)c1 1760128290 DQKGNXYKOLHNEE-GOSISDBHSA-N 424.505 1.364 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1760176004 XDYLYBFDWWJULS-KXBFYZLASA-N 406.508 1.367 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760178297 GWNBSLCOLPOIKV-KRWDZBQOSA-N 413.503 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1760256705 IWTNDQCWTVRUEC-UFYCRDLUSA-N 419.570 1.818 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760350152 WXPMKBYQPIUPCI-NRFANRHFSA-N 409.494 1.655 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1760374605 TUDGYJDZOFYOAW-MBOZISHXSA-N 400.932 1.530 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760380838 PIBYVUAZKFCZBY-ZNMIVQPWSA-N 410.906 1.311 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCOCC1 1760465187 YWXKXWHBRQIRHD-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1760505585 ZDZKRDMXCVSBSR-HNNXBMFYSA-N 423.539 1.726 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1766687193 LZMHWVHUVSOWAV-PBHICJAKSA-N 403.508 1.459 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCC1 1769818729 CYJVOZPVEKBMTF-SFHVURJKSA-N 424.505 1.669 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCO1 1769845326 LXLNDDRQTJWRMU-HZPDHXFCSA-N 411.528 1.116 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771537087 HIXYPFNFNLDDRH-GVDBMIGSSA-N 401.442 1.277 30 10 HDEE CC(C)(C)[C@H](C(=O)N=c1[nH]n(-c2ccccc2)cc1C#N)N1CCS(=O)(=O)CC1 1851180702 KPQFFSFKDDYRGG-KRWDZBQOSA-N 415.519 1.249 30 10 HDEE N#Cc1ccc(CC(=O)OC[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1 1851489971 UQXIBBCLMAJQFV-NRFANRHFSA-N 412.511 1.986 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCC(COc3cccc(C#N)n3)CC2)c2ccccc21 1851609911 OWXDXGMDXNRLQF-UHFFFAOYSA-N 405.458 1.924 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CSc2nccc(=O)n2C1 1851781260 PEFQRWQZVHHNOH-MNOVXSKESA-N 404.883 1.600 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1 1853544924 IVVYQZJYTWDFAF-UHFFFAOYSA-N 424.427 1.815 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCC2 1853679198 FYJDGJPSUUXNAE-OAHLLOKOSA-N 402.520 1.525 30 10 HDEE C[C@H]1CCCN(C(=O)CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)C1 1853830855 KQLKDWNUNYVJJQ-ZWKOTPCHSA-N 410.518 1.809 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@H]1C 1854332012 RXZCWIDKQVFZDK-ZBFHGGJFSA-N 424.523 1.080 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)C(=O)C2)C1 1854393851 RTRXLAJMGHWJCG-GOSISDBHSA-N 419.547 1.090 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)nn1C(C)C 1854997535 BDFSJEREQFSHQT-AEFFLSMTSA-N 400.527 1.823 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2=O)CC1 1855163244 LGVHAGVXUSLBEL-LJQANCHMSA-N 410.478 1.601 30 10 HDEE COc1ccc2nc(N3CC(C(=O)N4CCN(CCCC#N)CC4=O)C3)sc2c1 1855547076 XVEBYVKAQULKQX-UHFFFAOYSA-N 413.503 1.716 30 10 HDEE CCCN1C(=O)CN([C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)c2ccccc21 1855594820 DOTLRASJWKZKCE-LJQANCHMSA-N 403.442 1.958 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1=O 1856430617 JTMYILAWPSFDMC-MRXNPFEDSA-N 411.911 1.867 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(C#N)cc3)C(=O)O2)CC1 1856603310 NGCWDZIFMUXOGP-QGZVFWFLSA-N 405.476 1.971 30 10 HDEE COc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1F 1857041348 IUHMVECKJMCRGJ-OAHLLOKOSA-N 423.466 1.388 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@H]1CCN(C)C1=O 1857079045 AGDRSGNYNUTIPE-AEFFLSMTSA-N 414.506 1.578 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@H]1CCN(C)C1=O 1857227805 GTHMZGYUTXOPJO-ZBFHGGJFSA-N 404.898 1.371 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cccnc3NC(=O)COC)cc21 1858751998 OIDMVDRILGVBOA-UHFFFAOYSA-N 411.414 1.840 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(O)c2)c1 1862554643 HRGYHHRPEVPDNN-HXUWFJFHSA-N 423.469 1.885 30 10 HDEE C=CCOc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)OC 1874434001 IMLONVXBMHMQJE-KEBDBYFISA-N 403.464 1.626 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC12CC(C#N)(CO1)C2 2103317672 JQSZIORNUUZVDT-UHFFFAOYSA-N 417.487 1.301 30 10 HDEE C#CCN(C(=O)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2185447328 VLDQSNAYJCZITB-GJZGRUSLSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](CS)C(=O)O)[C@H]2CCCO[C@H]2C1(C)C 2195311577 RHELZUDYPRJCMV-JKCQUFRZSA-N 402.513 1.584 30 10 HDEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2247857055 DKSIBPWWXZYXPM-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248063713 OAPWCRFDTIHZDK-UHFFFAOYSA-N 408.311 1.732 30 10 HDEE C#CCCN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161778 HLHLVLXSUPZESM-QGZVFWFLSA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](O)[C@H](F)C3)cc2Cl)OC1(C)C 2267417690 YGDGXOFFHUFOMY-NXEZZACHSA-N 411.713 1.404 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C[C@@H]3CN)cc2Cl)OC1(C)C 2267705703 KPGQVMWNRPYLEW-ZJUUUORDSA-N 406.766 1.574 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267726939 FWVKKJNGDNDUGP-CCGUKBGLSA-N 408.376 1.181 30 10 HDEE COCC[S@](=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281966369 PKDFXIZILAUIGT-AREMUKBSSA-N 401.359 1.481 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(C)COCCO3)c2)OC1(C)C 2282331158 KFUOFHBORZEQAC-INIZCTEOSA-N 403.331 1.131 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1csc(=N)[nH]1 2282331369 MNHKZQQTTMCTNZ-VIFPVBQESA-N 415.371 1.956 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CCC[C@H]3O)s2)OC1(C)C 2282343730 HLBBOFWSKQSNRN-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE C[C@H](CN1CCCC1)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491060 JYPDFEUEWYAEJC-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE COc1cc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)sn1 2282499733 RTHVSUUSCRBFMN-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CO[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282505413 CZFJREBTTFSFLD-JSGCOSHPSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCNC[C@@H]2F)OC1(C)C 2282508002 PKWCHIXLLMGALJ-QWHCGFSZSA-N 404.338 1.167 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H](CO)C2CC2)OC1(C)C 2282510741 DDLRCPFZUUMAEO-AWEZNQCLSA-N 401.359 1.485 30 10 HDEE Cc1nc(S(=O)(=O)NCCSC(F)F)c(B2OC(C)(C)C(C)(C)O2)n1C 2282511005 HXRVDSCVQLTSBJ-UHFFFAOYSA-N 411.305 1.262 30 10 HDEE C=C(CO)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282512911 WLRQSBHJOOLOEV-UHFFFAOYSA-N 401.721 1.856 30 10 HDEE C[C@H](C1CNC1)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829039 YMVBPRSJNYVODF-SNVBAGLBSA-N 420.793 1.929 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282841032 RMNZUGPTFGWEFU-STQMWFEESA-N 419.399 1.597 30 10 HDEE C[C@@H]1C[C@@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852283 NGMUIXVEAYPDIX-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CCC1(N)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282863969 YDFPDACLWYACRP-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H](O)C(F)F)ccc2Cl)OC1(C)C 2282871595 JNPSYWJYKUSBBZ-GFCCVEGCSA-N 411.663 1.544 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC([C@H](F)C(=O)O)C2)OC1(C)C 2284395689 OHYOGYZQJGXNJN-NSHDSACASA-N 405.278 1.091 30 10 HDEE C=C(CS(=O)(=O)Nc1nc(CC(=O)OC)cs1)B1OC(C)(C)C(C)(C)O1 2284415253 MKFVZJOVJAJFMD-UHFFFAOYSA-N 402.303 1.788 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(F)(F)C[C@@H]2C#N)C1 2286065778 NFLFMOJATFYMLK-NEPJUHHUSA-N 407.439 1.170 30 10 HDEE CCOc1cccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 2325717609 XGAYOMWXOMEVOH-UHFFFAOYSA-N 402.472 1.674 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)C=Cc2ccco2)C1 2328074853 QOUZXDMZGBONBI-KBXCAEBGSA-N 407.426 1.395 30 10 HDEE Cc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329013102 BJBOUHNRDZPTCY-OAHLLOKOSA-N 400.508 1.770 30 10 HDEE C#CCO[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc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c1[nH]c(=NCCn2cc(Br)cn2)ccc1B1OC(C)(C)C(C)(C)O1 2365350267 MMZGTVNRWCOGDQ-UHFFFAOYSA-N 423.120 1.882 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F 2367800462 JQMCTOBMQACUHB-MJBXVCDLSA-N 406.495 1.951 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)ccc21 13791912 AZMPZGLIXLIERM-UNQMGURYSA-N 407.517 1.444 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3ccnn3C)nnc12 30650749 PTYIGPJJIIBWMP-UHFFFAOYSA-N 409.475 1.372 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c2C)nn1 31080961 CHEHLESCYVVECH-UHFFFAOYSA-N 418.461 1.599 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cnc3ccccc3c2=O)cc1 109934486 MJBCZODOPRZUQO-GOSISDBHSA-N 419.466 1.808 30 10 HDEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 410072138 ZICUFVISFCGEIE-MRXNPFEDSA-N 424.519 1.302 30 10 HDEE COc1ccccc1CCNC(=O)CNC(=O)c1cc(C#N)c(SC)nc1O 437727599 YNRUEXVFKBEQEY-UHFFFAOYSA-N 400.460 1.478 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441416796 QAGMCLRKRFKPRF-LBPRGKRZSA-N 409.414 1.698 30 10 HDEE CCOC(=O)c1c(C)oc2nc(CN3CCN(c4cccc(C#N)n4)CC3)nc(N)c12 444633172 BAFFGDHQSKFQRM-UHFFFAOYSA-N 421.461 1.879 30 10 HDEE CNC(=O)COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 461298111 WSDQBOGINHANGB-UHFFFAOYSA-N 406.402 1.525 30 10 HDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cc(C#N)cn4C)CC3)cccc2c1 471661210 BBEQQCMBVZYKMC-UHFFFAOYSA-N 423.498 1.900 30 10 HDEE Cc1nn(C)c(N2CCN(c3cc(Br)cc(F)c3C(N)=O)CC2)c1C#N 472443961 XYGOZKLOARLKQD-UHFFFAOYSA-N 421.274 1.927 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1 479320746 VWOOHZLBOVENHW-IBGZPJMESA-N 418.563 1.723 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 487346400 OIYSLFGRYIVBRU-UWVGGRQHSA-N 421.397 1.312 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(-n3cnnn3)cc2)cc1 503705669 ZOTBZLHUIOGMFG-QGZVFWFLSA-N 405.443 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCC2CCS(=O)(=O)CC2)cc1 508313191 LMHNNUHAXDWYRC-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccccc2C)c1=O 512737488 DQFQJZLPPLMHBL-UHFFFAOYSA-N 421.526 1.452 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 522115312 JICWKAVJTUKDQJ-UHFFFAOYSA-N 416.445 1.106 30 10 HDEE C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 532827804 ONGPKSFXAXZMGW-AWEZNQCLSA-N 407.517 1.672 30 10 HDEE CCOC(=O)C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534054800 PCNCMAVTWWSYNN-HNNXBMFYSA-N 422.507 1.163 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546169727 JGXOJOZXINGUFJ-OAHLLOKOSA-N 416.478 1.851 30 10 HDEE CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546198027 IRASJSRLYWLBBB-UHFFFAOYSA-N 403.439 1.426 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 549250034 PAFDBBPDXYVWOJ-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C(#CCN1CCN(Cc2cscn2)CC1)CN1CCN(Cc2cscn2)CC1 551699670 LULYESSPWZSBCS-UHFFFAOYSA-N 416.620 1.538 30 10 HDEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 555260824 MDUCJPTZUNDMLV-QGZVFWFLSA-N 417.477 1.925 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(-c3csc(C)n3)cc2)C1=O 557211592 WMZJHNSUBPAPJU-SFHVURJKSA-N 412.515 1.980 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCN(CC)C(=O)C1 557529564 FAXWTDXLJFTYNH-UHFFFAOYSA-N 421.505 1.920 30 10 HDEE CC(C)(CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)N1CCS(=O)CC1 561152055 SFBHFPLTUZWHIA-MRXNPFEDSA-N 406.527 1.483 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 609176691 NEUJNBUJEDEQNP-GOSISDBHSA-N 408.506 1.834 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)c1 609212623 HIVFBPUBLPZWKE-UHFFFAOYSA-N 414.487 1.959 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c(F)c1 610426229 KEMVFEMQYBSTFU-KRWDZBQOSA-N 408.389 1.244 30 10 HDEE C[C@H](C#N)CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 611091470 GBOCCYCOSQGSEN-OAHLLOKOSA-N 406.508 1.270 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 670199396 ZNERIDSHUSEYSG-QGZVFWFLSA-N 407.482 1.602 30 10 HDEE N#Cc1cc(N)c(OCC[C@@H]2CCS(=O)(=O)C2)c(I)c1 697175232 VOOBSCIATGCZGU-SECBINFHSA-N 406.245 1.949 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 727119974 DPTDVPOQSWVGBR-IBGZPJMESA-N 416.522 1.699 30 10 HDEE CSCC[C@@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1C(=O)c2ccccc2C1=O 732648960 LMCSGENLZCDDPY-YJBOKZPZSA-N 412.515 1.603 30 10 HDEE C[C@H](O)C1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 736199141 OYIXRZPVRZLABH-HNNXBMFYSA-N 407.536 1.905 30 10 HDEE CCN(CC)CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 737199951 XXGRDBMWIKLHFM-IBGZPJMESA-N 413.522 1.544 30 10 HDEE COC(=O)[C@H](NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 739988451 BNISOXBHFZVRFM-GOSISDBHSA-N 416.478 1.441 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C2CC2)CC1 742446986 QKPHIRJHXALVPY-UHFFFAOYSA-N 404.536 1.592 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(OC)c(C#N)c2)cc1 746869313 VEUJTRVVSCROIH-UHFFFAOYSA-N 417.487 1.950 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 758630895 PVGVTTFDHLBTJC-SJORKVTESA-N 403.545 1.611 30 10 HDEE CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760777821 GGCFMPMQZUMRHF-UHFFFAOYSA-N 402.451 1.848 30 10 HDEE CC(C)OC[C@@H](O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 762839456 BGLHKCNVPHZHSU-QGZVFWFLSA-N 410.492 1.288 30 10 HDEE COC(=O)c1cc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C)o1 767681330 QOFWICWRGXLJSV-NSHDSACASA-N 406.416 1.657 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CCC2)cc1 770477436 RRGWRITXKCGKGJ-PYCFMQQDSA-N 420.535 1.693 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc([N+](=O)[O-])cc1C#N 771180207 LJDVZLCIIPPBJA-UHFFFAOYSA-N 403.439 1.982 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 776135391 CYHGSFWPGLTPTR-UHFFFAOYSA-N 413.521 1.083 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC1CCC2(CC1)OCCO2 780178600 SJODVAMWWBAHSL-IBGZPJMESA-N 410.467 1.593 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780934728 MICPFFXGMSDQRB-OAQYLSRUSA-N 422.485 1.174 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](Cc2ccncc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 782566495 KNHIYAZQLPTFKM-NVXWUHKLSA-N 412.515 1.990 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Cc2ccncc2)C1 782840581 RCUODJIYOXDDJX-KRWDZBQOSA-N 412.515 1.992 30 10 HDEE Cc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1C(=O)N1CCOCC1 787649758 VGUKACIGSQHYAW-VXPUYCOJSA-N 412.446 1.322 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790659907 ZDTVYEVHBNYURO-KBXCAEBGSA-N 401.529 1.612 30 10 HDEE Cn1ncc(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1Br 791890987 KVQKQQSVXVJQTL-NSHDSACASA-N 406.196 1.730 30 10 HDEE N#Cc1ncccc1COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 813160495 PFVPURQARVBJMU-UHFFFAOYSA-N 417.443 1.526 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N 813679955 GWCPIUZCLOAMRW-HNNXBMFYSA-N 409.512 1.091 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 813720573 VITABQZJHRHSDZ-BHYGNILZSA-N 401.467 1.983 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 1129262570 CDNOFFAMHGOZMZ-ZWKOTPCHSA-N 404.478 1.855 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134279791 QUAWSTTXWRZPDQ-QKLQHJQFSA-N 417.487 1.184 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1137118637 FXMQFHRIKJTZJY-CELYABABSA-N 418.494 1.425 30 10 HDEE CN(C)C(=O)Sc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1Cl 1140230678 APIJHDSAPUDAQO-UHFFFAOYSA-N 407.839 1.886 30 10 HDEE C=CCC[C@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1140929616 KZQQKTTYPQTEJK-OCCSQVGLSA-N 400.522 1.602 30 10 HDEE C#C[C@@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C1CCOCC1 1148193476 BHZFINLXDGRKLE-JPYJTQIMSA-N 409.486 1.920 30 10 HDEE C=C(C)C[C@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC 1151604358 LBNAIRNKCSAMEY-KRWDZBQOSA-N 418.490 1.993 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1158223513 MCNQYRDVIBMSNO-UHFFFAOYSA-N 413.244 1.739 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCN3CCCO)ccc2c1=O 1159091401 OHKKGUIBTUZGBZ-OAHLLOKOSA-N 402.520 1.448 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)cc1 1162411417 QFKAJYAELIZEBG-SFHVURJKSA-N 414.443 1.356 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@]2(CO)CCc3ccccc32)c1 1164473385 UQKOKIZARRYIOT-HXUWFJFHSA-N 402.447 1.729 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc2ccc(F)cc12 1171914635 GVTDKXSPHLPXSI-NSHDSACASA-N 402.407 1.822 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1Br 1189297899 FMNDCPGAAKBLHX-LLHLLMPMSA-N 416.272 1.734 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1196807417 NJWZOGCACFFHLH-SJLPKXTDSA-N 421.519 1.292 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cnc2c(Br)csc2c1)C(=O)OC 1212123700 UTJLUPQWYIEUBS-SNVBAGLBSA-N 403.279 1.902 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1264679219 ZQKMQFUOOCMBAU-FQEVSTJZSA-N 421.563 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1286297785 DJVJFEQXYQWLKY-DZGCQCFKSA-N 406.483 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286398720 NINKJMDKYLOWMB-UHFFFAOYSA-N 414.473 1.420 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C)n(C)c1=O 1286462823 XFMAUPBGYWYDRA-UHFFFAOYSA-N 406.490 1.790 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(C)C 1286465721 RENGGTAZUYCIOY-MOPGFXCFSA-N 410.522 1.618 30 10 HDEE C=C(Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1286616862 DYYRYCNYNVEGLH-IPMKNSEASA-N 412.490 1.856 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)CC)CC1 1286663140 GZHONCKTBXXMGW-MQNRADLISA-N 400.570 1.351 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286785185 GXRZMWFSPICPGI-UHFFFAOYSA-N 409.494 1.091 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](F)COC)C1 1286799555 XGSNPYZCCNSMMU-HUUCEWRRSA-N 404.446 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2c(ccnc2O)C1 1286823440 NJRZVGGKUSNFCL-UHFFFAOYSA-N 407.496 1.079 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1288234600 YPKBOWNUGHANAS-NRFANRHFSA-N 423.477 1.372 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1288998697 FALMCJFHRLRJJM-LSDHHAIUSA-N 400.508 1.574 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1296971437 CDBXGZJUBNSWOP-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1299332688 AEDJTRZIGNZLGZ-DLBZAZTESA-N 408.462 1.485 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCCn1cnnn1 1300441309 JZQKKFMSZCGSSU-UHFFFAOYSA-N 401.272 1.854 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1300535159 IGNHUMKFLUZMNS-HXUWFJFHSA-N 403.486 1.927 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1300537326 DUZDGFZBHPKSAJ-KSZLIROESA-N 404.536 1.314 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OCC)CC1 1300697827 KMHRWXLNTAVHGX-LJQANCHMSA-N 422.533 1.626 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C(N)=O)C1 1301601706 HVPHYDYCJBCPSL-CQSZACIVSA-N 401.492 1.905 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCCO[C@@H]2CCOC2)CCO1 1303003503 HTBCPVFUBGOAIV-RTBURBONSA-N 415.469 1.932 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1303629103 HKSWVSFEUZJQAB-ZDUSSCGKSA-N 420.495 1.304 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1 1304399755 AILVEQCDHRJWCF-INIZCTEOSA-N 420.539 1.653 30 10 HDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N)N1CCCC1 1305803761 DDGPBHMYEPXCBI-OWCLPIDISA-N 411.576 1.501 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CC1 1350024122 URIGFESNDDSROX-MSOLQXFVSA-N 401.511 1.539 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)NCCN1CCOCC1 1353685733 WXFFHKQTBZLEKT-KSFYIVLOSA-N 414.550 1.697 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCc3nccn3C2)CC1 1359041256 RAVDOLXLYWOBEB-QGZVFWFLSA-N 409.538 1.826 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1359056589 HVWKHEZBMNLELO-AWEZNQCLSA-N 403.474 1.833 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cn1 1359063849 FVZSUVRVEWURDW-FZKQIMNGSA-N 406.487 1.463 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359118337 COCKBXKNICHTJO-DOTOQJQBSA-N 415.519 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCOC1 1359292953 BXWFKZAEMMJPBH-CYBMUJFWSA-N 423.315 1.573 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@H]2CCCO2)CC1 1359302323 CIBYOBVUPXAXTQ-LJQANCHMSA-N 410.522 1.962 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359602988 BLYDQRXASFIXQD-MRXNPFEDSA-N 403.508 1.601 30 10 HDEE COC(=O)[C@H](CCC(=O)N1CCO[C@](C)(C#N)C1)NC(=O)OCc1ccccc1 1439710124 PDMPWABFAAVDGJ-OXJNMPFZSA-N 403.435 1.376 30 10 HDEE Cn1nc2cc(Br)ccc2c1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1443538481 SIVKWHIEEQAAFX-PEZBUJJGSA-N 418.251 1.592 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2nscc2I)CC1 1449420635 DKDCOAIUVBLBEL-UHFFFAOYSA-N 405.217 1.667 30 10 HDEE N#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1449515978 BDGGDHPLOZYFJN-NSHDSACASA-N 416.297 1.238 30 10 HDEE C[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ncon1 1456161695 KBSPESOADLIBER-CYBMUJFWSA-N 405.480 1.588 30 10 HDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC(c2ccccc2Cl)=NO1 1456206079 DBNJCWRQHHJQDF-RZAIGCCYSA-N 407.879 1.620 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1457321318 KYRLKMBZJBEXEM-QMTMVMCOSA-N 413.540 1.353 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1461536375 DGHBLFQBWXAYNN-BZUAXINKSA-N 415.437 1.961 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nnc3c2CCCC3)cc1 1464274578 WKUNPRGWOMRGHP-PYCFMQQDSA-N 416.507 1.608 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1469581237 AKARRLHULSZAJZ-WPIBOPBSSA-N 418.494 1.855 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1471069645 MKUSVNXUDMSIMW-LLGFUMIMSA-N 403.479 1.385 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1 1471929928 VGGGUOCBDVHIDH-MZRZTIOWSA-N 406.504 1.301 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3ccccc3OCC#N)CC2=O)C1 1472249677 JVDPLXNFGGQOEO-CQSZACIVSA-N 414.462 1.539 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 1475379479 IRIIOGLKOANYOJ-GFCCVEGCSA-N 401.282 1.739 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc(C(N)=O)cs2)cc1 1475974034 QGZRGVNNGBNMKA-UHFFFAOYSA-N 409.493 1.370 30 10 HDEE CN1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@H](CNC(=O)OC(C)(C)C)C1 1479160410 YTMVCUOVBOBEME-RTBURBONSA-N 413.522 1.876 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1507544804 CLZVNPKMBFAZNM-AUUYWEPGSA-N 422.482 1.004 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CCC1 1507610453 CTFYNWNVTGWUJD-UHFFFAOYSA-N 416.503 1.753 30 10 HDEE C#CCN(c1nnc(CC)n1CC(F)(F)Br)[C@H]1CCS(=O)(=O)C1 1507633796 HWXVSFDNYOXYOB-JTQLQIEISA-N 411.272 1.455 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2OC)CC1 1507727684 SDMVNLJMVOCCAO-UHFFFAOYSA-N 422.533 1.521 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1507729130 DZMKGPPOVMHSOB-WOJBJXKFSA-N 402.587 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC2(O)CCOCC2)CC1 1507742665 NBPQPKOAEPZKSE-UHFFFAOYSA-N 417.554 1.374 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(c2ccc3nncn3n2)CC1 1507937770 UJCHQUXNKADZSB-UHFFFAOYSA-N 411.514 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@H](C)CC(N)=O 1508074187 OYRVVFRQUGULEK-GFCCVEGCSA-N 420.901 1.609 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508078747 HINYPCHCLWPKCW-SFHVURJKSA-N 424.549 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 1508079665 BZISHYYMNIIVJH-UHFFFAOYSA-N 409.450 1.388 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1508095169 MHNIFSWBOUGBFH-UHFFFAOYSA-N 402.543 1.762 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1508140251 HEBYOUXKCCRRIF-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508164208 ZSDHHRDDTHWHEV-KFWWJZLASA-N 400.570 1.307 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCOC[C@@H]1C 1519409716 ODYANYGQCWKYAL-OWSLCNJRSA-N 406.531 1.319 30 10 HDEE C#CCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1520935039 JEPFHJPDCGJCAQ-SOUVJXGZSA-N 402.488 1.230 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)CCO1 1521128373 CBVYSYSYDZYKOX-KBPBESRZSA-N 405.405 1.291 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1525110346 WPGXRSPASMXXMX-FQEVSTJZSA-N 410.495 1.908 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1ncc2c(c1C#N)COCC2 1529422623 GHBUVRVKBODJNH-UHFFFAOYSA-N 424.461 1.238 30 10 HDEE CN(C)c1ccc([S@](C)(=O)=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1531659749 PVYHXTQRARDYLU-MHZLTWQESA-N 420.516 1.475 30 10 HDEE N#CCOc1ccc(CC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1531875027 OKMJCLFHDUSZGI-UHFFFAOYSA-N 417.263 1.835 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CC2CS(=O)(=O)C2)c(C(=O)OCC)c1C 1532545355 OBQSPMNAPGCGCR-UHFFFAOYSA-N 415.489 1.949 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1536180327 QWYKGQHBAVRCQC-XGJLMRNISA-N 406.460 1.645 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(C)c(C#N)c3)cc2S1(=O)=O 1537721966 NJKSFFWCXSINRL-UHFFFAOYSA-N 413.455 1.588 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC1 1539020405 BDJPLHSMSCOKSV-OAHLLOKOSA-N 400.552 1.957 30 10 HDEE C#CCCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539070938 HKKMTXHXYIODNU-UHFFFAOYSA-N 416.570 1.843 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1539211676 NDDXPMVETJSGAD-SJORKVTESA-N 415.519 1.255 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1539350560 QCAVICGHCLRPMB-UHFFFAOYSA-N 410.356 1.991 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1539534750 YPGOWJSOBRSXLT-NHCUHLMSSA-N 410.478 1.723 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539989984 BZIRPXODZYVBDH-HXUWFJFHSA-N 407.482 1.589 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCSCC1)C1CC1 1540095754 UUSPZBKRSFBBRZ-CQSZACIVSA-N 414.601 1.092 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1540663143 PSUZREFGPVOQLM-UHFFFAOYSA-N 400.884 1.682 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1540866946 GHYGRRXNZMYJPX-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1540868987 YRKHIZYPWORBGZ-VQIMIIECSA-N 421.505 1.947 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1540873627 DWRVWNOWIXMRRL-UHFFFAOYSA-N 402.543 1.666 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@@H]2C)C1 1540881978 YLJSUEPWELIRGU-ZWKOTPCHSA-N 418.542 1.016 30 10 HDEE C=CCN(C(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1542217283 WKWIUOWHJQEWQB-AWEZNQCLSA-N 410.496 1.317 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c1 1543314581 BRPDQSXOFZMOTM-HRAATJIYSA-N 401.463 1.483 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1546532919 GPYDXZABZUPWJZ-MOPGFXCFSA-N 401.559 1.254 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCN(Cc4ncon4)C3)CC2=O)cc1 1556564917 CFBKZHODCSMEEY-IAGOWNOFSA-N 408.462 1.323 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)c1 1557328116 YXGQXGFRHPWJOF-KRWDZBQOSA-N 401.488 1.657 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 1557718507 DCVGHMPGBKLIMA-MRXNPFEDSA-N 409.402 1.987 30 10 HDEE C[C@@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1558518106 STMNTRPCTPUWMF-GHMZBOCLSA-N 401.282 1.781 30 10 HDEE Cn1cc(C(=O)NCC#CCO)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1568141830 GOVYAHOSEYCFRI-SFHVURJKSA-N 410.474 1.662 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCOCC3)CC2)c1 1570125528 BOECLMZDQDYWRI-UHFFFAOYSA-N 404.532 1.811 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCC(C)(C)S(C)(=O)=O)ccc1F 1584024731 GTPUHJWKOZXFGH-UHFFFAOYSA-N 406.501 1.233 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCSCC1 1585296676 MHTHRKXWSKCMBO-CCEZHUSRSA-N 409.508 1.484 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1586898925 MZQHGLZKWWPIMV-JLTOFOAXSA-N 406.483 1.130 30 10 HDEE N#Cc1ccc(C2(NC(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CCOCC2)cc1 1587213855 XPSNCFMRJVYSDK-UHFFFAOYSA-N 405.414 1.574 30 10 HDEE C=CCn1c(SCC(=O)N2CC[C@@H](O)[C@@H](O)C2)nnc1-c1ccc(Cl)cc1 1587419203 IQDZDIBVPLDMRA-CABCVRRESA-N 408.911 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1 1587661892 IHMXRSVVRWQMEO-ZDUSSCGKSA-N 404.421 1.903 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1587804059 SZFZVSQBODTIHF-QGZVFWFLSA-N 415.542 1.650 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CCC1 1588007288 ZZYADAHLOBOGHJ-UHFFFAOYSA-N 402.520 1.936 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1588139716 QNDDIDIIQRENOE-MRXNPFEDSA-N 409.881 1.794 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1588144227 XIMFHHAOWJEYJM-QGZVKYPTSA-N 419.529 1.747 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2CCN(C(C)=O)CC2)CC1 1588791525 XZHRDOVHVQZYNW-UHFFFAOYSA-N 406.534 1.959 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCOc2ncccc2F)CC1 1588811283 FGZHUZBXIUPVFG-SFHVURJKSA-N 414.485 1.888 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1594824466 IGKHCYDQFPIJSA-XEWABKELSA-N 403.527 1.590 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1594948761 KEZIKBSTBNGBDF-HXUWFJFHSA-N 424.549 1.856 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2c(ccnc2O)C1 1595562398 XQJJIBLNGFDLBP-UHFFFAOYSA-N 405.462 1.229 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(=O)N2)C1 1595681379 QHMRNOIMNKFBDH-LLGFUMIMSA-N 419.526 1.379 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1596831461 NXSHNFFSAJXHQW-OWCLPIDISA-N 423.539 1.319 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](F)(C#N)C1 1615901924 MVOLMBNQLJTAAK-AUUYWEPGSA-N 410.494 1.606 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1=O 1618464834 XLRMSGQBNUBXIN-KKSFZXQISA-N 410.478 1.432 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2Cl)CC1 1622067551 RQMBDRKUPMATOR-UHFFFAOYSA-N 409.817 1.904 30 10 HDEE C#CCCS(=O)(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1622563102 GOTWHYZDUKTWRQ-QWQRMKEZSA-N 400.497 1.118 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)CNc2ccc(C#N)cn2)cc1 1624327308 AEXJOPFSHPJGII-UHFFFAOYSA-N 401.492 1.616 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1=O 1625689378 UQJIXZTZPYFLHH-KRWDZBQOSA-N 411.424 1.352 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1ccc(F)cc1)c1cc[nH]n1 1627744005 KGYJYCAKDXKLJK-MRXNPFEDSA-N 404.398 1.433 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)c1 1629297588 BSHCUEHCXRKOQX-ZDUSSCGKSA-N 406.464 1.960 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)CC1 1631795419 UVAFKNKPPGBVFM-UHFFFAOYSA-N 422.279 1.947 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2ccc(OCc3ccncc3)cc2)c(=O)nc1O 1633550585 SRNZULFSAVYDCB-UHFFFAOYSA-N 405.414 1.153 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](c3ccnn3C)C2)s1 1636259739 XNZJCHVUTWJQFJ-OAHLLOKOSA-N 410.521 1.089 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1636436357 LRIIRJVNBCRBGS-MRXNPFEDSA-N 405.470 1.299 30 10 HDEE CC[C@@]1(C(=O)OC(C)(C)C)CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1636452423 CPYDGJBIRRTSTM-HXUWFJFHSA-N 404.467 1.571 30 10 HDEE N#C[C@]12CN(C(=O)C3(C(=O)Nc4c(F)cccc4F)CC3)C[C@H]1CS(=O)(=O)C2 1636512281 AANFGPZZBFHJCF-APPDUMDISA-N 409.414 1.080 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)CC1 1639644576 QRDGBSWAFHPXDM-OAHLLOKOSA-N 416.478 1.854 30 10 HDEE COC(=O)C1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC(CO)C1 1640598390 OPPNUQRHFCHUSU-UHFFFAOYSA-N 422.279 1.187 30 10 HDEE C=C[C@@H](O)C(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123422 LNSHMPIDAZGXHG-DOTOQJQBSA-N 419.526 1.720 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)c1 1641758955 ODMOETOLJZTHJJ-UHFFFAOYSA-N 414.491 1.820 30 10 HDEE CN1C[C@@]2(C)CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@]2(C)C1 1642637942 AKQSSTCSHXADDG-BGYRXZFFSA-N 404.536 1.306 30 10 HDEE CC(C)(CN1CCOCC1)C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644617315 BQXNWDMJBGGZFN-UHFFFAOYSA-N 422.533 1.955 30 10 HDEE C#CCN(C(=O)CCSc1nnnn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1644788494 WNJRBXOZUJTFFO-UHFFFAOYSA-N 408.528 1.554 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](CC#N)C(F)(F)F)cc1 1645009740 CVRVHSXZEYCOBL-CYBMUJFWSA-N 406.386 1.274 30 10 HDEE CCOC(=O)COCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1647010912 HGYYGTUEPZQREM-RDYUPDBUSA-N 409.483 1.469 30 10 HDEE C#CCN(CC(=O)NCc1cc(OC)c(OC)c(OC)c1)CC(=O)OC(C)(C)C 1647116370 NHUUMHBTOLPMFQ-UHFFFAOYSA-N 406.479 1.606 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CCO[C@](C)(C#N)C2)(n2cccn2)CC1 1647991735 UZWLVRPMZJXKCM-LJQANCHMSA-N 403.483 1.750 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4nccnn4)CC3)ccc2c1=O 1651164625 QLCKZFQRCBAWRX-UHFFFAOYSA-N 409.475 1.019 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 1651874927 SWRZJKUTSYXZLA-HUUCEWRRSA-N 405.503 1.958 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653073210 UYCOLUIIQFGXQJ-BXTJHSDWSA-N 423.535 1.420 30 10 HDEE CSc1nc2ccc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2s1 1658204169 GRMQTMANLBNTHY-UHFFFAOYSA-N 402.461 1.974 30 10 HDEE C#CCN(Cc1nnnn1CC1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1660152807 WKJMSZPHKODDDC-UHFFFAOYSA-N 418.542 1.934 30 10 HDEE CC(C)O[C@]1(CS(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCOC1 1660579902 FZIMHHDQJMKHRR-LJQANCHMSA-N 411.499 1.733 30 10 HDEE C=C(C)COCCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1660849581 UYBYAOPZIIIRRM-ROUUACIJSA-N 412.508 1.535 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OCC 1665797277 SVUQBPAPIJEACV-CYBMUJFWSA-N 409.913 1.920 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)CC1 1666232594 FJUFZLZBPBOZSP-UHFFFAOYSA-N 417.528 1.353 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(CC#N)cc1)CCS2(=O)=O 1673935931 BNXRAYNGXCAQDK-GNZRSQJKSA-N 419.503 1.451 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)NCCc1ccc(C#N)cc1)C1CCCC1 1674041281 AUBUYVPQJKXNGR-GOSISDBHSA-N 407.540 1.355 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 1679365833 PJTSCGGQYYVLQQ-YOEHRIQHSA-N 411.499 1.778 30 10 HDEE C#CCN(C(=O)NCc1nc(N(C)C)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1684942511 ATVRAGVDVZQFFY-UHFFFAOYSA-N 405.503 1.415 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 1687575552 ULYMFDKGXIUORC-SFHVURJKSA-N 407.559 1.372 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CSCCS1 1690000112 RWOOVUOYKCHFNN-HNNXBMFYSA-N 412.544 1.847 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCOc1ccc(OC)cc1 1690015691 VEPIGUTUHOQFPC-LJQANCHMSA-N 407.474 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(-n2cncn2)nc1 1690099771 KRZZANWCZGWBFB-UHFFFAOYSA-N 403.450 1.383 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nncn1C 1690105885 CFCRAVXCFURIQD-UHFFFAOYSA-N 404.478 1.613 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N[C@@H](C)CC)CC1 1690123956 ANLPXHXGJCGCSU-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690510856 GZAILTZGKZKRSJ-QGZVFWFLSA-N 413.526 1.721 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690512014 JYFPPCQWENXXJX-DJPFJPOOSA-N 419.526 1.454 30 10 HDEE C=CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1690639423 MSXYOGNVRCYETN-UHFFFAOYSA-N 411.510 1.400 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690739902 BVGFRDJXEKMXJM-UHFFFAOYSA-N 410.569 1.664 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1692661585 FCXVQVFYJCALHM-GDBMZVCRSA-N 418.523 1.410 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1692721284 CVOXTRXHCSSWNY-HKUYNNGSSA-N 424.553 1.715 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1693860802 QLXRRCPLGGZCQR-AWEZNQCLSA-N 420.564 1.698 30 10 HDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1697145752 FVSTZDSIQOMIEB-IOASZLSFSA-N 402.496 1.001 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOCC)CC1 1705531738 USSBJXXSKJZJOE-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN(CC)C2CC2)CC1 1705649723 FMZINQHDMRYMHY-UHFFFAOYSA-N 400.571 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(CO)c2)CC1 1705649854 GMIYGDNUXFOZDX-UHFFFAOYSA-N 407.518 1.737 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1705698953 ASOVRTVDIPVTSO-MHORFTMASA-N 424.567 1.634 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1705752878 JWJHPZQRFJWZSN-KFWWJZLASA-N 424.933 1.349 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nnn(C)n2)CC1 1705764898 RISAITGDIQQOQU-UHFFFAOYSA-N 414.495 1.077 30 10 HDEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)CC1 1705779707 UGAYLNVXNXFWNY-UHFFFAOYSA-N 402.524 1.778 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)CC1 1705818814 VZPGUVABHFACOV-UHFFFAOYSA-N 422.511 1.054 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1705894789 LKWLZIXGHYUHEJ-UHFFFAOYSA-N 408.466 1.358 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC[C@H]1C 1705901388 JZDWPFGQRPLNRP-ZIAGYGMSSA-N 400.483 1.933 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCC(=O)N(C)C)CCOC1 1706669418 NUVGHUWDUXNGLK-OAQYLSRUSA-N 418.542 1.927 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1706748103 STVDXEHPASIFJH-DOTOQJQBSA-N 423.525 1.469 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1708084742 DTPKOQJHWWDSBV-OWCLPIDISA-N 411.576 1.359 30 10 HDEE CCCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1 1709759407 ZIESCLXAWJAMHN-HXUWFJFHSA-N 405.522 1.980 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1711302010 BNGCPXIFFLRKJL-HNNXBMFYSA-N 412.494 1.177 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1Cc1ccc(C(N)=O)nc1 1712453231 GRCHNQHIDGQIIZ-UHFFFAOYSA-N 408.466 1.192 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCC)[C@H]1CCS(=O)(=O)C1 1722365897 FSOYVSCVHVNAQQ-ZDUSSCGKSA-N 405.480 1.043 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1722417081 UQLDLLLNGNECGR-UHFFFAOYSA-N 402.524 1.598 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@@](C)(O)CCOC 1722476172 NUUKFVUYYSBJBE-RTWAWAEBSA-N 400.527 1.919 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1722550746 PNGSXWGINOSYAM-SFHVURJKSA-N 406.874 1.721 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722730095 IJQQMDFGFKRXLM-UZLBHIALSA-N 424.567 1.606 30 10 HDEE C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccccc1 1723972188 HIRXUNCZQUFBQJ-LEWJYISDSA-N 412.469 1.750 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)F)C1 1724003717 DCFLQLILKDZTCT-GOSISDBHSA-N 409.441 1.025 30 10 HDEE CCN1CCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1728586938 VGGFKRWXQNAXPM-DBXWQHBBSA-N 418.542 1.532 30 10 HDEE CNC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729722457 FLNRYUCQUQEWMR-CQSZACIVSA-N 409.498 1.058 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(=O)(=O)CC 1740611736 QKDHHZRDYNQITO-UHFFFAOYSA-N 411.478 1.546 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](F)COC 1740638020 GHCXICYTHSFJTA-OAHLLOKOSA-N 408.437 1.249 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1740782964 ZMYCZKVOXFPFOA-LSDHHAIUSA-N 422.530 1.863 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1740899979 RZSIETLZINJYIV-HNNXBMFYSA-N 403.508 1.831 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)CCCC(=O)NC 1740955122 MLRZYJOIXBAYBT-UHFFFAOYSA-N 421.505 1.758 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1747767993 VUTVWWLKKSAYEW-RBUKOAKNSA-N 407.478 1.727 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(COC)CCC2)CC1 1748979184 WALQVRQRZNSWBM-JOCHJYFZSA-N 417.554 1.502 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1749462273 SBTRRQBJYOUMBK-HOTGVXAUSA-N 418.521 1.385 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1749467088 FTWTXZGMKMWPPF-NRFANRHFSA-N 406.575 1.578 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOCC(F)F)C1 1750378728 LLGIMTKCIYGTCK-QGZVFWFLSA-N 400.405 1.514 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)N(C)C1CCCCC1 1750948157 GLMPAVWOTDCDDO-FQEVSTJZSA-N 419.505 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1760114946 VYOIMDORTYKFGP-GJZGRUSLSA-N 404.515 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1760194696 OKCRZHYVAQRLQC-KRWDZBQOSA-N 420.583 1.226 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOCC1(C)C 1760294441 XAJITUFXBYLUJK-IIBYNOLFSA-N 400.527 1.332 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@H](C)CC 1760294675 DCBZCBPMQJYECE-XNFNUYLZSA-N 408.568 1.969 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1760464742 NZBGCDSZNXXQMI-HNNXBMFYSA-N 406.508 1.890 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@@H]1CCSC1 1766959214 GBIIUZQURGLAFL-QGZVFWFLSA-N 412.519 1.617 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1767549614 JTDSNESJBFWTBV-IBGZPJMESA-N 417.445 1.220 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1767796460 FXEWDWPXIFMOLX-MRXNPFEDSA-N 422.449 1.222 30 10 HDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1768134511 YJEOZZPVTGAHPD-GOSISDBHSA-N 412.494 1.902 30 10 HDEE CO[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769582592 KYZAAFUJZPMXLE-GUYCJALGSA-N 401.540 1.845 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CC1 1771539943 PANUHUSWGVUDNQ-SJORKVTESA-N 423.539 1.116 30 10 HDEE O=C1CCc2cc(S(=O)(=O)NCC#CCOc3ccc4c(c3)OCO4)ccc2N1 1849142286 HRCGTLZLHLWLPH-UHFFFAOYSA-N 414.439 1.661 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3CCc4ccccc4O3)c(C#N)cc2C#N)CC1 1851239215 QCXZUDYYUMYNBK-LJQANCHMSA-N 402.458 1.909 30 10 HDEE CN1CCN(CCNC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CC1 1851240822 HJGDSJAVPGGLLG-UHFFFAOYSA-N 406.412 1.740 30 10 HDEE C[C@@H](COC(=O)c1ccc(Cl)cc1N=CN(C)C)N1CCS(=O)(=O)CC1 1851560928 LIHVTBQBWNQAPQ-ZDUSSCGKSA-N 401.916 1.837 30 10 HDEE Cc1nnc2c(N3CCC(NC(=O)c4cnc5c(c4)c(C#N)cn5C)CC3)nccn12 1852004847 QEGHPYYDWVOVGR-UHFFFAOYSA-N 415.461 1.590 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1852496666 FYYLYBLQUJNAGH-QWHCGFSZSA-N 405.886 1.648 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(NCc3nc(-c4cnn(CC)c4)no3)CC2)CC1 1853599463 QACMSBWPJSKNNG-UHFFFAOYSA-N 420.539 1.946 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CC4(C3)CC(F)(F)C4)C(=O)C2)cc1 1854033530 ZGMCDDFOSROLQX-UHFFFAOYSA-N 423.441 1.743 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(C3CC3)n(C)n2)C1=O 1854223917 HDTGCHMARYTZCF-ROUUACIJSA-N 413.522 1.538 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C1=O 1854651723 VXQUAXMHPCKFOC-AEFFLSMTSA-N 401.511 1.022 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@@H]1C 1854735348 GXCXXVXHMVGOSK-KBPBESRZSA-N 402.520 1.404 30 10 HDEE COc1ccc2c(c1)CC[C@@H](C(=O)N1CCN([C@H]3CCN(CCC#N)C3)CC1=O)C2 1855029436 SUMRRUJZUFDZHR-UXHICEINSA-N 410.518 1.459 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccccc2S(C)(=O)=O)CCN1Cc1ccc(C#N)cc1 1855634500 WKCPWJDOONWVGM-HNNXBMFYSA-N 411.483 1.835 30 10 HDEE CN(Cc1nc(-c2ccccc2)no1)[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1=O 1855981433 BNQQWKMACWAJIK-QGZVFWFLSA-N 402.414 1.876 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@@H]1CCN(C)C1=O 1857076372 GIEKZXHPWDNQGK-DLBZAZTESA-N 418.563 1.786 30 10 HDEE Cc1nn(C)cc1C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O 1857249775 XPUUEDMDZKPTLU-MRXNPFEDSA-N 406.490 1.864 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N2CCC(CC#N)CC2)C1=O)n1nnc2ccccc2c1=O 1857380468 SHYCMJNMGJLCCT-KDOFPFPSSA-N 408.462 1.106 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CC=C)c(C(=O)O)cc3=O)cc21 1857890496 ZDBZSNCEUZHLHH-UHFFFAOYSA-N 424.409 1.906 30 10 HDEE N#CCCCOc1cccc2c1C(=O)N(CCc1ccc(S(N)(=O)=O)cc1)C2=O 1865814727 XHGDUUUCIOVIKO-UHFFFAOYSA-N 413.455 1.855 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NS(=O)(=O)c3cccs3)cc2C1=O 1870098960 GYUWYCRHTWIVQY-UHFFFAOYSA-N 414.428 1.227 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN(CCO)CCCC 1870541360 CJJUFXWSGLXRDG-LJQANCHMSA-N 421.538 1.303 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CSc2nnc(C(F)(F)F)n2N)nc1C 1874543324 DWFJBNZICUZKIK-UHFFFAOYSA-N 422.414 1.849 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1886031990 TYDOXYJSRVJCEF-VXGBXAGGSA-N 401.460 1.550 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 1889740931 PIXIIACJZIVPNL-UHFFFAOYSA-N 415.379 1.906 30 10 HDEE COc1ccc(-c2ccc(=O)n(CC(=O)N3CCC[C@@H]3C#CCN(C)C)n2)cc1OC 1890267431 KRDZIJVFYPVCQB-SFHVURJKSA-N 424.501 1.484 30 10 HDEE CN(CC1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)CC1)c1ncccc1C#N 1891008945 RCTJFUUYTJWIMF-UHFFFAOYSA-N 417.535 1.052 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3nnc(C(C)C)s3)CC2)cs1 1891211096 LOPFMOZOVOXAEM-UHFFFAOYSA-N 406.537 1.996 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)cc1 1892112927 WMBURRPUSXPERU-QGZVFWFLSA-N 421.526 1.989 30 10 HDEE C=C(CNC(=O)C1=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1897267210 XMMAEKJUAZMSON-CABCVRRESA-N 408.304 1.875 30 10 HDEE CC#CC[C@@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984841272 XKZRHNTUHBBWTH-QZTJIDSGSA-N 417.506 1.995 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025898769 HBCBXNKHOZXEMX-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C1CC1 2076044037 XXXIZAYWMBYNQZ-QRWLVFNGSA-N 406.479 1.980 30 10 HDEE CC(C)(C)OC(=O)NCC1(CCNS(=O)(=O)CC2(C#N)CCOCC2)CC1 2174781532 GWDKOSXRFVNYSI-UHFFFAOYSA-N 401.529 1.921 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@](F)(CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174786604 LHIFPIBISHBEGT-XFHMXUHZSA-N 405.492 1.622 30 10 HDEE CSC1(C#N)CCN(C(=O)C(F)(F)C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2181145000 AIGVRIQCDAOGHQ-UHFFFAOYSA-N 405.467 1.851 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COCC(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195308380 YZAFMFHMZLXEMO-CQSZACIVSA-N 404.529 1.928 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1(C)C 2196367225 INRWODZBCFWLHS-SOUVJXGZSA-N 400.545 1.996 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912755 LMTJGGIZELGTMR-OLZOCXBDSA-N 420.319 1.505 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)nc2)OC1(C)C 2255842608 UUEOPDZABXXRJI-BWTSREIZSA-N 420.322 1.636 30 10 HDEE CC1(CCNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)OCCO1 2255951814 KXMNHVCKOSURAK-UHFFFAOYSA-N 417.358 1.620 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCC[C@H]3O)cc2Cl)OC1(C)C 2267354746 RGCRHZUYUXQMDI-GHMZBOCLSA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@](C)(N)C3)cc2Cl)OC1(C)C 2267707411 QIRSOGXGMFPCPX-OAHLLOKOSA-N 406.766 1.813 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C2(CC2)C1 2272892254 KRAGRRGVZNSXQO-CVEARBPZSA-N 421.475 1.464 30 10 HDEE Cc1sc(C(=O)N(C)CCS(N)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281936972 UGQJMNJJYKZMNZ-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282202254 AJKPAZRHNMNARM-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE C[C@@H]1CNC(=O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282315643 QNBXDTWDZVGSEJ-SECBINFHSA-N 420.749 1.210 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)[C@H](C)C1 2282321829 BWRINNDTPNLSRN-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C)[C@@H]1CO 2282322764 QJVAROCJUDTPOT-YPMHNXCESA-N 401.359 1.747 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282332362 ZQRMZGHNENVADM-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CCN([C@H]1CCC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337038 DHYKAWPMHMKQEP-UONOGXRCSA-N 401.359 1.971 30 10 HDEE CN(C[C@@H]1CCCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282347185 UKXXPTGZCBWPKK-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC[C@](C)(CN)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505411 CYTOUBGEZKVYHB-MRXNPFEDSA-N 403.379 1.331 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCO[C@H]3C(N)=O)sc2Cl)OC1(C)C 2282612221 DCYMZOCFUNGXLX-MWLCHTKSSA-N 400.693 1.073 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H]4[C@H]3CO)cc2Cl)OC1(C)C 2282827553 ABRSOKODZVCQPF-JBLDHEPKSA-N 419.761 1.702 30 10 HDEE CNCCCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282831451 KONDRFIUDUCOSK-UHFFFAOYSA-N 403.379 1.204 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)NC[C@@H]1C 2282834267 RFYBCDDDNFNKAI-RYUDHWBXSA-N 400.375 1.727 30 10 HDEE C[C@H]1CC[C@H](CN)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856211 OZCODUMIPKDRMM-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884162 KVOBPTIRNGSFQQ-NSHDSACASA-N 423.387 1.149 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2283929583 LMNNYUJRAFYUEY-ZDUSSCGKSA-N 406.379 1.351 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H]2CC(N)=O)OC1(C)C 2285740299 WULYLOXQVLRDPE-NSHDSACASA-N 400.331 1.076 30 10 HDEE CN(C[C@]1(O)CCCN(S(=O)(=O)CC2(C#N)CCC2)C1)C(=O)OC(C)(C)C 2286344433 GQWUPHPILWAVSK-GOSISDBHSA-N 401.529 1.704 30 10 HDEE C[C@@H](O)CN(C1CCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2288022271 LMDULCDVLNJSOO-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C)C(=O)OC(C)(C)C)n1C 2300224536 GQUACHPDGGUARU-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)NCc1c(Br)c(Br)nn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c1cc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 103101631 MYOTUVTUPDOBMG-FXBHHXAOSA-N 403.387 1.424 30 10 HDEE N/C(=N/O)[C@@H]1CN(C(=O)c2cc(Cl)ccc2I)CCO1 236329898 VFOFZJPIDXODKK-JTQLQIEISA-N 409.611 1.532 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 238838187 HFIWOHXQFWEACH-HNNXBMFYSA-N 415.475 1.282 30 10 HDEE NC(=O)Cn1cc(C=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 254818527 LEOBFLFUYMSCNW-UHFFFAOYSA-N 401.404 1.347 30 10 HDEE C/C=C1\C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 256016158 ZOIAVVNLMDKOIV-PQACEVKGSA-N 407.463 1.580 30 10 HDEE biogenic COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2cc(C#N)cn2C)c(O)nc1=O 433491050 LATXHHBDVXBXMM-UHFFFAOYSA-N 422.445 1.235 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440388792 WHJPQZOJXUJYHN-UHFFFAOYSA-N 422.441 1.532 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cc(C#N)ccn4)CC3)C2)n(C)n1 446935718 HIMUHOUGIKMUBK-GOSISDBHSA-N 408.510 1.496 30 10 HDEE CCn1nccc1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 472578176 DGFSMILAFYYPNJ-UHFFFAOYSA-N 417.470 1.593 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 506087088 VWRPBWRDRMFIAW-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 508729324 DRLHLROSOHOUQN-UHFFFAOYSA-N 400.527 1.929 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 508947325 WWHMOBCZBULUKL-AWEZNQCLSA-N 418.523 1.048 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(CC(F)F)C1CCN(S(C)(=O)=O)CC1 512497331 ZYTPGLRGZVBAIT-CYBMUJFWSA-N 415.462 1.843 30 10 HDEE COC(=O)c1cc(I)cc(NC(=O)N2CCO[C@@H](C#N)C2)c1 536320254 NKDORCJARCISTC-LBPRGKRZSA-N 415.187 1.834 30 10 HDEE CN(C)C(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 540560115 DXMNJSFAMZMMGX-QGZVFWFLSA-N 403.552 1.257 30 10 HDEE CC(C)(C)C(=O)NCCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543933712 ZNASDGQNJTWOFI-UHFFFAOYSA-N 416.869 1.614 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 545462275 AHQDVNNGTQBBCS-OAHLLOKOSA-N 424.417 1.408 30 10 HDEE CCc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1S(N)(=O)=O 546928951 CWFFCLBFBOQAKO-UHFFFAOYSA-N 414.491 1.517 30 10 HDEE Cc1ccc([C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)o1 554797927 NOBKFCFQNYIMOE-LJQANCHMSA-N 403.504 1.897 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCN(CC)CC1 564375353 DIDHAKDMQRLYAC-UHFFFAOYSA-N 418.567 1.913 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)CC1 589652527 VGUZNGGVMRQOGZ-UHFFFAOYSA-N 409.494 1.343 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 590914186 XIGGGZRRVXXCCI-ZDUSSCGKSA-N 403.529 1.180 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccoc4)n3C[C@@H]3CCOC3)CC2)c1C#N 619856579 LCEMJMFVTXKRIM-INIZCTEOSA-N 422.493 1.815 30 10 HDEE C#CCN(C(=O)CCn1c(S)nnc1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 729332625 RQYSKDGWJGEQQG-INIZCTEOSA-N 418.544 1.581 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 732173680 CIZLLSWWHVIIND-QGZVFWFLSA-N 403.504 1.073 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CCN(c2ccc(F)cc2)C1 732453488 DSLOMONBXKAKEL-ORIGZDJFSA-N 401.442 1.478 30 10 HDEE N#C[C@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)CCN1C1CC1 732674771 LTXUWXNJFYHVKU-PMACEKPBSA-N 401.486 1.581 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCN1C1CC1 732674806 SHYXEZHFZBDFMK-HXUWFJFHSA-N 400.502 1.329 30 10 HDEE CCN(CC)CCOc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732707709 DCZAYZPOSPNHHL-GOSISDBHSA-N 413.522 1.544 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCC(C(N)=O)CC1 733258946 DFJANRPCEZXOST-XUJLQICISA-N 420.535 1.300 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 753742335 HJYKCGWFHLPCEE-SNAWJCMRSA-N 407.492 1.670 30 10 HDEE CC(C)[C@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772493947 FVRMGIKGSXZWCU-SJORKVTESA-N 419.503 1.226 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780257440 YRLYMLNBPOYVMY-VBKZILBWSA-N 419.434 1.015 30 10 HDEE COc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c(N2CCN(C(C)=O)CC2)n1 780921287 KYLJEYYBLTZRPX-LJQANCHMSA-N 409.446 1.302 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cccc3cnccc23)c1=O 782923942 AANQOFQYDGJKBZ-UHFFFAOYSA-N 416.506 1.511 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 788617771 JQWYHBAXFNMEPB-UHFFFAOYSA-N 407.536 1.183 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2N2CCOCC2)n1 788922676 KBXBNZDSBYHAQE-UHFFFAOYSA-N 411.506 1.711 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nnc3n(C)c(=O)c4sccc4n23)n1 789322194 CEARFURGDFMJDG-UHFFFAOYSA-N 411.491 1.121 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1 791491566 RXAVYERYSODVPD-OAHLLOKOSA-N 422.453 1.457 30 10 HDEE COc1ncc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1 798627437 CXSYYCRRFBWABA-LLVKDONJSA-N 404.448 1.354 30 10 HDEE CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801974015 WVTXXXQQWQIRGK-GOSISDBHSA-N 407.526 1.649 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1 803923721 XHDFZKISRMWZFG-UHFFFAOYSA-N 414.393 1.821 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N[C@H]3Cc4ccc(Cl)cc4C3)CC2)nc1 804402075 QTMFDRJRQVGLAQ-IBGZPJMESA-N 423.904 1.975 30 10 HDEE C#CCOCCOC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 810631396 TTYPBCGRWJMRHP-GMSFPVLESA-N 405.450 1.659 30 10 HDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CC)[C@H]1CCS(=O)(=O)C1 812039240 MIYKKAGVTQAKFM-WMLDXEAASA-N 402.476 1.437 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)C1 812179543 UXBGCFMDQVCKIN-HNNXBMFYSA-N 420.514 1.441 30 10 HDEE CCOC(=O)c1sc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c(C#N)c1C 1124146645 BIYRXKSVTMKVLO-HIFRSBDPSA-N 407.492 1.923 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C[C@H]1CS(=O)(=O)C2 1134429004 KRTXDKGRTXSIFL-SCLBCKFNSA-N 405.476 1.883 30 10 HDEE COc1cc(OC)cc(N2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)c1 1135005930 MSUFKVATTJRSHY-LBPRGKRZSA-N 411.418 1.294 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)c1 1141445933 WVQWSOGLXBMESB-QGZVFWFLSA-N 419.547 1.156 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cccc(C#N)c1Br 1143293404 HGOILWHLOJSUQI-OAHLLOKOSA-N 407.312 1.993 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C1CCOCC1 1148194262 KSJGQMNYEOIVHO-LLVKDONJSA-N 421.338 1.334 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCc2c(sc(N)c2C#N)C1 1158215740 IYKNAZGUIGNVLI-UHFFFAOYSA-N 418.544 1.736 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)ccc1F 1161652711 NWKQIFSNNAQUCA-SFHVURJKSA-N 419.434 1.767 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)CC3(O)CCCCC3)CC2)cc1 1168042121 APUFFNAOLONLIX-GOSISDBHSA-N 407.536 1.311 30 10 HDEE CN(CC(=O)N1CCC(Nc2ccccc2C#N)CC1)S(=O)(=O)c1cccnc1 1168606833 YUJQCFHKVHYWJW-UHFFFAOYSA-N 413.503 1.677 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 1177346643 OQKOKMDSVCDIJX-TZMCWYRMSA-N 405.398 1.453 30 10 HDEE Cc1cnc(C2(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCOCC2)[nH]1 1179143525 OUHNDAPGZSDAAO-AWEZNQCLSA-N 417.491 1.079 30 10 HDEE O=C([C@H]1CC(=O)N(Cc2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272671 KIGPIOAMUNIUFU-KRWDZBQOSA-N 421.453 1.939 30 10 HDEE CC[C@@](COC)(NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)OC 1191053165 GBXXVCVJQGSRDH-AWEZNQCLSA-N 405.270 1.567 30 10 HDEE COC(=O)CC[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)OC(C)(C)C 1192010174 BMHRSHXZFMJQIP-ZDUSSCGKSA-N 418.418 1.778 30 10 HDEE C#C[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[C@H]1CCCO1 1211582333 GGRWHMQLHGUMPT-QWHCGFSZSA-N 402.266 1.778 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C(=O)OC 1213384961 KOHITBYEZUYSQU-CYBMUJFWSA-N 409.913 1.671 30 10 HDEE N#C[C@]12CN(C(=O)NCCOc3ncccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1224428661 BQMJXKSAXYTKEY-XHDPSFHLSA-N 418.397 1.059 30 10 HDEE C#C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1230478873 QVSZLFKKBVFQHA-SNVBAGLBSA-N 406.327 1.548 30 10 HDEE C=CC[C@@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1230736246 ABSRFYUVBRQCSU-MRXNPFEDSA-N 410.540 1.411 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(CC(=O)N3CCCCCC3)CC1)C2 1254483117 WGWTYLWXDUYPBE-NRFANRHFSA-N 409.534 1.755 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3CCC(Oc4ncccc4C#N)CC3)CCC2=O)cn1 1269660494 RSKSFUDPICIMQG-LRYGQEGESA-N 422.489 1.936 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3ccccc3OC)s2)C1=O 1273505897 JUSVWIIVMHLCFF-UHFFFAOYSA-N 401.404 1.129 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CCOC)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1281472476 UKDHPRQQGXKDSG-GCNBINEPSA-N 418.534 1.515 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1286390962 BAHTXWPOCIKXJJ-OAHLLOKOSA-N 404.492 1.230 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](COC)OC 1286405054 XOFBMDXSYFHMEK-CQSZACIVSA-N 406.284 1.770 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@@H](C)CC 1286444163 QYPVQBWQPVFDIG-AWEZNQCLSA-N 400.483 1.770 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)CC 1286462730 SVJJSNKDJHSONH-UHFFFAOYSA-N 415.519 1.947 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286778434 DNLCSOQVXFVPLU-HUUCEWRRSA-N 416.526 1.903 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CCC[C@@H]21 1286814285 OYTJIRRSOQFENE-HOTGVXAUSA-N 407.540 1.494 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C1 1286855688 AMFVCCYBSDDUQD-WBVHZDCISA-N 401.515 1.511 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1288998679 FALMCJFHRLRJJM-CABCVRRESA-N 400.508 1.574 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H](C)N1CCOCC1 1293144720 JWHWOIPHQCLIKH-UONOGXRCSA-N 421.339 1.982 30 10 HDEE C#CCCNC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1293382696 XNYWTNIPSRNYKL-UHFFFAOYSA-N 412.284 1.889 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@H]1C 1295982325 DMRQKFWBWIFZIV-HZPDHXFCSA-N 405.510 1.912 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2CC(=O)OCC)c1 1300175491 MUBRFWARLBJQTF-UHFFFAOYSA-N 406.464 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1300547922 DQNWPENAYOKWGR-MRXNPFEDSA-N 416.478 1.504 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N1CCOCC1 1300644476 XFMXIWQTEUZWFY-IEBWSBKVSA-N 417.554 1.905 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[C@H]2COCCO2)CC1 1300701381 QTCCUNBPEVTFDM-IBGZPJMESA-N 413.497 1.569 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@H]1C 1301422698 UTAHJYQHJDOTLM-VBKZILBWSA-N 419.482 1.185 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301499064 WRYMSXPHJVPOKE-QGZVFWFLSA-N 402.543 1.979 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C[C@H]1OC 1302409126 HZXZTKMULFNZQE-CALCHBBNSA-N 408.466 1.336 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@H]1CC(=O)N(C)C1 1303730842 PVFIYCPZIHJFIR-ZBFHGGJFSA-N 420.535 1.124 30 10 HDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 1303994268 SGOKQZOVEOGYCV-CQSZACIVSA-N 416.434 1.464 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1312612169 GBOIDCJQEXRDLR-YLJYHZDGSA-N 402.495 1.042 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1313666911 YPDQZBYUCXDPIA-XDNAFOTISA-N 406.531 1.461 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC2CC2)C1 1315259519 CVDYVGGBUJPMEM-UHFFFAOYSA-N 415.519 1.867 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)c(F)c3)c2)NC(=O)NC1=O 1347505447 QYJPIJHQGWUMES-GOSISDBHSA-N 402.407 1.230 30 10 HDEE COc1cc(OC)nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 1354750351 ROQSDJXDCQIMDV-HYARGMPZSA-N 419.463 1.559 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc4c(cc3[N+](=O)[O-])OCCCO4)CC2)nc1 1357209757 KQPAAHUTYVYUDF-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1358882183 VARGELQGFVGSAF-CQSZACIVSA-N 419.507 1.066 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COCCOC)cc1 1358886659 INNDTTYBRGCPPF-LPHOPBHVSA-N 411.506 1.898 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1358911443 UJXLILKJWGTQDA-IBGZPJMESA-N 420.517 1.995 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1358960863 NBEYWYYYYDYHGN-QGZVFWFLSA-N 410.503 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN(C)CC(F)(F)F 1358982444 XENVCMQMJAQRTA-UHFFFAOYSA-N 407.444 1.707 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C(C)=O)CC1 1359301992 SQOAQTZNOROLGD-UHFFFAOYSA-N 416.913 1.493 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1359322950 FMZVUYNIORKAFK-PGRDOPGGSA-N 415.513 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC(C)(C)[C@H]1C 1359331771 HWZVVYHATQBYPV-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1359345726 OMEXQBCLBGCQNH-INIZCTEOSA-N 403.556 1.761 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2CS(C)(=O)=O)c1 1446133883 BJQLUYYNYJMSBT-UHFFFAOYSA-N 419.524 1.958 30 10 HDEE C[C@@]1(C(F)F)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1453804572 HSLWSAAALBIPGM-KUHUBIRLSA-N 406.389 1.646 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H]1c1cccnc1 1454874336 GAZFFTJVUDFWRZ-RTWAWAEBSA-N 423.448 1.339 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 1456939772 LKFMPODCPJZLGT-YOEHRIQHSA-N 421.519 1.711 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 1459746948 DWQUSCBAOIZSHN-FQEVSTJZSA-N 416.547 1.798 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1460908686 RADGXRYVWJYWGD-SFHVURJKSA-N 405.520 1.373 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)cc1 1462702913 UBZPMVOKKYCHSP-FQEVSTJZSA-N 410.499 1.948 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1465849139 PNMICMBLLHBLKK-FQEVSTJZSA-N 403.483 1.797 30 10 HDEE N#Cc1cn(CCNC(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)c(=O)nc1O 1470360939 MGZMTFYXPDKGOF-UHFFFAOYSA-N 408.336 1.567 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@@](C)(C#N)C1 1470394111 LLMXUVUJTAYPNY-QUCCMNQESA-N 421.519 1.913 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 1470769806 ZQJLFQSEVPUPDL-HZPDHXFCSA-N 409.939 1.998 30 10 HDEE C=CCOCCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1470821738 IGOUSGJKJSHEFU-CABCVRRESA-N 407.433 1.837 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1472150265 YFEGACUCSDLSMX-JOCHJYFZSA-N 424.501 1.880 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@H](c3nc(CC)no3)C2)c1 1472225377 AQBOOQBWHSWRMA-LSDHHAIUSA-N 402.476 1.610 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)[C@@H]1C 1493919690 DFWPBRXAVGZBMB-LSDHHAIUSA-N 402.524 1.943 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1494280934 XBZUZRIRUNDAAJ-PLGXQAJASA-N 423.477 1.480 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 1504883934 GMBDLQIYROZNQA-GOSISDBHSA-N 417.558 1.612 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2CCOCC2)cc1 1505314819 BNUAYDIMCMLTHD-UHFFFAOYSA-N 424.505 1.714 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1507554364 QSGYUMWDHQKAGB-OAQYLSRUSA-N 403.527 1.996 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507596674 MNRLRECXXSXKMQ-YZGWKJHDSA-N 414.554 1.532 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507623691 VRYKIGQGBCFNRY-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC)cc1 1507659050 UDLBMBZTXHEJHH-UHFFFAOYSA-N 420.517 1.677 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cc(F)cc(OC)c1 1507713808 XSHXQHHVFNWWTC-UHFFFAOYSA-N 415.469 1.683 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)on2)CC1 1507716180 NPUPWPWTLNCDPH-UHFFFAOYSA-N 406.450 1.025 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1507830166 UOGIKIKOTSIZFT-OAHLLOKOSA-N 400.483 1.934 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507846440 LSTDLLDRXYCWHB-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1507850102 BPXOQBKSQPOMCL-UHFFFAOYSA-N 402.890 1.383 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1512064420 GOXLCIZAAUUZDW-NYAYQYMKSA-N 422.493 1.886 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1517149089 NOAMPKXZLRDOCJ-CQSZACIVSA-N 412.475 1.725 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1cc(C)c(C#N)c(C)c1)C(=O)NCCN1CCOCC1 1525349397 URVDUNJTQLGGTE-MGPUTAFESA-N 400.523 1.768 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1527792858 DKOXMZNZRRPZNJ-HNNXBMFYSA-N 423.510 1.258 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3cc(C#N)cs3)CC2)cn1C 1538810631 WERNTLUUXSZNBP-UHFFFAOYSA-N 421.548 1.721 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1538974609 UFKIOTKBYOYNDY-RYUDHWBXSA-N 419.536 1.399 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1 1539232461 DIFFMHPVWITWAV-UHFFFAOYSA-N 405.506 1.874 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(=O)(=O)CC 1539250361 MEYAEDBZAWBJHH-UHFFFAOYSA-N 420.926 1.396 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCCCC2)CC1 1539430704 LNTSLQCKYJGWEQ-MRXNPFEDSA-N 408.572 1.224 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2cc3c(cc2OC(F)F)OCO3)CC1 1539430951 PKMFNZCCYCHRKH-UHFFFAOYSA-N 405.405 1.720 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1539534751 YPGOWJSOBRSXLT-RTWAWAEBSA-N 410.478 1.723 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CCCO)CC1 1539854754 XTLVCMNPGBYXSN-SFHVURJKSA-N 402.543 1.404 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1540052104 XJKKBZYTWLHZIS-NSHDSACASA-N 422.287 1.646 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 1540499320 LHMKXONNTCLPDI-XDOYNYLZSA-N 410.474 1.458 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1cccs1)C1CC1 1540869616 RQBAIDWVPVNDJX-OAHLLOKOSA-N 400.508 1.762 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cc(C)no2)CC1 1540876838 COQRXHZFWSNFDG-QGZVFWFLSA-N 415.498 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540901214 WPOZEDGYDLLRAI-QZTJIDSGSA-N 417.535 1.804 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1541096660 XWYWHHPIQCHHGC-ZDUSSCGKSA-N 403.512 1.534 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N(CCC#N)CCN1CCOCC1 1544337108 MGRYVYYBNGQTOE-UHFFFAOYSA-N 404.458 1.611 30 10 HDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)C[C@@H](C)O1 1545091322 FGBFCEVXJRKZIC-OKZBNKHCSA-N 417.558 1.752 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1546396240 BJNICYBWJIMIML-VBKZILBWSA-N 417.489 1.967 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)C1 1555798569 GXLLUJRHWASOHD-SFHVURJKSA-N 417.535 1.993 30 10 HDEE CSC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555864950 QQRSCEBZQDTQPV-CVEARBPZSA-N 407.540 1.813 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1555985040 GXSADBAUJGGYBP-QAPCUYQASA-N 411.503 1.439 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1558464927 RJWIFIVICFEPJQ-AWEZNQCLSA-N 402.480 1.248 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1559947187 NDFIHZVERJNTGJ-IBGZPJMESA-N 403.548 1.482 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)c1 1566050730 BQAPOFZCXUGDTO-QGZVFWFLSA-N 414.487 1.143 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1568251817 BZZKLDCYAWJUBY-WQVCFCJDSA-N 402.900 1.077 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)C(=O)OC 1570219243 WCYPFFSBUQMAQN-GOSISDBHSA-N 416.455 1.791 30 10 HDEE N#Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Br 1584021886 NPLPGCGYAXPYRA-UXOAXIEHSA-N 404.220 1.422 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1585090531 HJXKYGCZABWLIP-SFHVURJKSA-N 404.536 1.310 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1587626184 IEBUKGCGVCCTCQ-QFBILLFUSA-N 408.506 1.572 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587766734 YFASFIUPGOSOIG-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588073814 FHIMMZXFTJXCFG-LJCCNALRSA-N 424.567 1.553 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1nnc2n1CCC2 1588660636 XYHPSRAXEUXFJE-UHFFFAOYSA-N 409.469 1.680 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CC(F)(F)CO2)CC1 1588968362 JWMWOBTVVWWEAV-HNNXBMFYSA-N 411.453 1.205 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589557378 HQBMUCYPFJLEGC-NQIIRXRSSA-N 416.570 1.422 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1594645459 MSXCMTHZSBMXDH-RTBURBONSA-N 416.570 1.914 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1594733589 VNDVUEBBZAZREI-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1594752235 BZWFJEHLTZEHCN-LJQANCHMSA-N 407.540 1.382 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1595366775 NSOZGEGYKQLKCS-OAQYLSRUSA-N 410.478 1.954 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595551560 RSTJLBAJAXUJFY-IRXDYDNUSA-N 404.559 1.326 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC)C1 1595681860 VUVTZVJDWRECBG-ZDUSSCGKSA-N 423.315 1.953 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1596429260 CWONBYDYWCJAEU-SFHVURJKSA-N 409.494 1.446 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1607592703 FFXFMIJRLQRKEV-ZWKOTPCHSA-N 404.559 1.952 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)C1 1608147403 RVCGPQBVWSXGOJ-QXAKKESOSA-N 414.506 1.871 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nncn1C 1613319359 CCFCBCSUSUFHEL-HNNXBMFYSA-N 406.498 1.562 30 10 HDEE CCOc1ccccc1[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(C)=O 1616336452 NZPODDRRXKCVNG-XAUMDUMWSA-N 419.503 1.049 30 10 HDEE CC(C)(CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)NC(=O)OCc1ccccc1 1616347961 UHIRMAMGGUKUCU-VHEBQXMUSA-N 414.462 1.724 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1617129225 NIEVSMBZRQTREC-UHFFFAOYSA-N 405.462 1.832 30 10 HDEE CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1617184359 PLDSMSSUNCDSKV-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)c1 1617395045 FSGGYROXMYWARJ-LJQANCHMSA-N 403.548 1.336 30 10 HDEE CN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1617733694 OAYZXOHZQHYQNV-OSCRUYLVSA-N 408.462 1.697 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCC1(C#N)CCCCC1 1617978403 ZXUCDICDVOURJK-UHFFFAOYSA-N 412.533 1.709 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1618129456 BDUPJDOUNGMSSG-MEUCICPISA-N 423.477 1.339 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1618526749 QQRXMMDIJGTJME-QRWLVFNGSA-N 406.531 1.687 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)CC1 1623968724 BSTBBUXQCLZICC-UHFFFAOYSA-N 419.482 1.717 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCn1cnc2ccc(Br)cc2c1=O 1624564930 GVXSQEALUGAXLU-UHFFFAOYSA-N 421.251 1.464 30 10 HDEE N#Cc1cccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1629706878 VXHYWHSGQZUBMM-UHFFFAOYSA-N 415.471 1.704 30 10 HDEE CNC(=O)[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1633416235 NRCGNDJCNJZNGH-LBPRGKRZSA-N 405.296 1.742 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1633578643 VIBIFSDNVAWXEQ-KRWDZBQOSA-N 410.559 1.906 30 10 HDEE C=CCNC(=O)CNC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1637325263 QSMJYLLTHMHOFW-UHFFFAOYSA-N 401.467 1.479 30 10 HDEE Cc1ccc(NCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1639039064 FNDSLZVAIICPCG-UHFFFAOYSA-N 401.492 1.437 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCN(c2cc(=O)n(C)c(O)n2)C1 1639532717 LYDIKWTVYBJEQF-CYBMUJFWSA-N 400.435 1.068 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1639961791 HOBOEYIFDFTIQI-LIRRHRJNSA-N 412.471 1.289 30 10 HDEE Cc1nc(SCC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n[nH]1 1639989399 GVMHXFLYVFBMJN-UHFFFAOYSA-N 408.491 1.816 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)NC)Cc2ccccc2)cc1 1643076675 ZKFYRFNWZSSYKK-UHFFFAOYSA-N 401.488 1.539 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)C(F)(F)c2ccccc2C#N)cn1 1645240396 WPTWWZPSHDJROQ-MRXNPFEDSA-N 408.430 1.772 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1645528168 IGQOTFWWYDCGLF-VIFPVBQESA-N 403.386 1.779 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@@H]23)ccc1F 1645812996 IAJTVULYMOVOCC-CTASWTNQSA-N 410.467 1.608 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C2(CC2)C1 1648022618 FQWNSZDQZWSMLY-UVTIVQHFSA-N 404.467 1.419 30 10 HDEE COc1ccc(CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO)c(OC)c1 1652453532 KRNXNHWSLYOLQM-UHFFFAOYSA-N 408.454 1.798 30 10 HDEE O=C1NC(=O)[C@H](CCC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1653036221 HTISMWLNZOAFHO-QYNIQEEDSA-N 423.260 1.604 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCc2c(cccc2S(N)(=O)=O)C1 1654603728 ABLJJSOLBAYQLM-UHFFFAOYSA-N 404.879 1.856 30 10 HDEE CN(CCn1cnnc1)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1654685913 TTZURLOFQLHZDM-INIZCTEOSA-N 411.510 1.580 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1654747260 PXEAHYCXLJYHLK-DLBZAZTESA-N 412.408 1.873 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCO[C@@](C)(C#N)C1 1654932736 OCTODXBLEFTKJY-JXFKEZNVSA-N 420.535 1.803 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N1CCC(C(=O)N2CCCC2)CC1 1656402849 CKYPNBFDYBJBIZ-UHFFFAOYSA-N 407.474 1.438 30 10 HDEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)CC(C)(C)CC#N 1660964015 DEOLYJRCBHRINO-AWEZNQCLSA-N 406.508 1.952 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1668169192 JRSZFKYZHDYQHC-PYCFMQQDSA-N 418.519 1.882 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@H](C)c2ccc(N3CCCS3(=O)=O)cc2)nn1 1673802709 QHSNQHSKGMVTBC-OAHLLOKOSA-N 418.523 1.907 30 10 HDEE C=CCOCCNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675516674 STZSZGPLPMHDCE-UHFFFAOYSA-N 408.503 1.676 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)C2=O)cc1 1681516229 PYMDCHOVXMAYTE-JZXOWHBKSA-N 416.503 1.130 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CS1(=O)=O 1682385371 WOYNLQMHBKQYMZ-BEFAXECRSA-N 404.536 1.788 30 10 HDEE N#CC1(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CCOCC1 1684723500 ZWNFZLDIHKYEEK-LBPRGKRZSA-N 408.256 1.327 30 10 HDEE COc1cccc2c1CCC[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)C2 1685745403 OSBRJXLNPJPBHQ-FTRWYGJKSA-N 403.504 1.522 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CC 1689892566 IJFVLKZIGNUKHV-DLBZAZTESA-N 409.556 1.793 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OCC)c1 1689945516 FNZDKMZKRXTTDJ-OAHLLOKOSA-N 405.524 1.599 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689998869 ZJVMDVYPYWQSIH-FRQCXROJSA-N 408.524 1.325 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1690096715 ZAKHRCVPFHOFMK-UHFFFAOYSA-N 409.490 1.834 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1690497489 RCTPJDQFWCWVSR-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C)CC1 1690668072 ROYJTLTUNCHIJR-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC(C)C)C1 1690714617 PZEIUCAZVAJJQS-HZPDHXFCSA-N 413.544 1.239 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693783978 WSPHJMHHNCTPKK-STGLLQLASA-N 409.450 1.092 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccsc2)CCOC1 1696084569 CAMFFRBUYRARQE-LPHOPBHVSA-N 403.508 1.963 30 10 HDEE CN(C)C(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696585060 LISLHLOBKAVIPO-UHFFFAOYSA-N 408.510 1.617 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cn1 1696861418 DXRDSVIFIKDYBB-DNVCBOLYSA-N 417.539 1.633 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1697000240 QSZGNMUFKAUZIH-KRWDZBQOSA-N 405.466 1.386 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1697998185 YFWOPJAYEAPTMD-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@H]1C 1705485710 NZJLZMZANYQCOC-VWKPWSFCSA-N 406.494 1.930 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N(C)CC 1705591941 MBBDUEFMTSUIAU-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1705592409 JEQHLTYRNGOYNA-UHFFFAOYSA-N 411.893 1.920 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1705641531 JDCXMLMBUSNYSJ-OALUTQOASA-N 414.598 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(O)CC(OCC)C2)CC1 1705644327 MVDUSAAYXSGBGW-FVYSKSNYSA-N 417.554 1.687 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705662114 QMLQYOCMVKUGKQ-RTBURBONSA-N 419.595 1.697 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705821041 IYGBBCVDTSIQGR-FQEVSTJZSA-N 423.565 1.973 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1705821296 QTYQYKHJILLPNM-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1705830895 XRJBGGOBVCBCPK-APWZRJJASA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1705898956 DBSCABRZABZJFZ-INIZCTEOSA-N 403.446 1.524 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 1705922917 VNOPZYJGTOTATK-RBUKOAKNSA-N 416.570 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1705924282 BROQLBJHZDWSLN-GBESFXJTSA-N 403.527 1.822 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1706072254 BAIMIQYPOIYTBC-HOCLYGCPSA-N 401.515 1.664 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCC1CC1 1706621778 HFUNVYFNJNCNTM-HNNXBMFYSA-N 423.525 1.593 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@H]1C2 1711019318 BTNUXLLUWFHWGZ-RDJZCZTQSA-N 400.508 1.697 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1CCOC1 1712563598 ZPUCDVFMPGDFAP-ZIFCJYIRSA-N 418.542 1.605 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1712885257 FINKWYGEQRLCBM-JKSUJKDBSA-N 420.539 1.184 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722364813 AZSSANPTXOXOMG-KURKYZTESA-N 423.583 1.139 30 10 HDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)N(C)C)CC1 1722430729 IUUZYPBLXZZGCV-UHFFFAOYSA-N 406.534 1.592 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2nncn2CC)CC1 1722445076 KYVRUHUGBDHOSP-UHFFFAOYSA-N 418.505 1.571 30 10 HDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722623842 MYMYPVCBPRJODB-GOSISDBHSA-N 415.494 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCC(=O)NC 1722697029 HDRFHPNLZBIAAR-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1722705153 APMBWESFKNVBSU-INIZCTEOSA-N 416.501 1.829 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1722857594 GRDRHCUOKFOFMH-UHFFFAOYSA-N 415.523 1.536 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCC2)CCOC1 1723694820 WVKGAKMHTCVRPV-JXFKEZNVSA-N 405.499 1.353 30 10 HDEE CN1C(=O)NC2(CCN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CC2)C1=O 1729565276 OQSGCXQYTYEPNH-UHFFFAOYSA-N 423.477 1.108 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1730485046 SDZJTGTXKKKPLY-OXQOHEQNSA-N 414.441 1.832 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cn[nH]c1 1730871110 TWYUJXTVPCAFSK-MAUKXSAKSA-N 414.514 1.144 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1730973919 YBQQCDXTDJNWSD-UHFFFAOYSA-N 400.483 1.573 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCNS(=O)(=O)CC 1740556551 IJYXGXTULOJARO-INIZCTEOSA-N 405.524 1.563 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740627231 OTBTWXUVRGCDLY-KSZLIROESA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1([S@](C)=O)CCC1 1740629098 AJRUOONRFLAKGG-NDEPHWFRSA-N 403.552 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1CCCO 1740641402 JXCJJZLHHQMDCZ-OAQYLSRUSA-N 409.509 1.928 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](OC)C(C)C)CC1 1740698175 PZSSSKFMRGTGAW-FQEVSTJZSA-N 421.549 1.943 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740709579 PGYUJXWYWRLWRF-UHFFFAOYSA-N 406.600 1.758 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1740731966 NGWBUFXRXPNOCU-ABSDTBQOSA-N 422.551 1.368 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCCOC 1740739048 OUIIXOWZORIMDV-LLVKDONJSA-N 410.338 1.270 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)NC(C)(C)C 1740742615 WPHHQZBCNDQJQV-UHFFFAOYSA-N 408.304 1.995 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2)CC1 1740963440 KWZGOFUHYJVJPY-UHFFFAOYSA-N 423.521 1.029 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOCC2(CCC2)C1 1740990583 WCYGNLRGMDBTFK-UHFFFAOYSA-N 417.535 1.948 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCOCC1 1741127685 GQCFYZHIEDGWSY-JKSUJKDBSA-N 412.494 1.990 30 10 HDEE CC(C)OCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1741753897 CIRCRBSAEIYSHO-HNNXBMFYSA-N 418.523 1.813 30 10 HDEE CCOCCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1747375714 UBOXJOUAKGTBLV-INIZCTEOSA-N 400.483 1.453 30 10 HDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1747810088 BYUXABAZXFTJEH-RBUKOAKNSA-N 424.461 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1748647339 NAPRJIZPBAATAO-BEFAXECRSA-N 410.540 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1748666893 JZYKIJMODDSFEG-ZFWWWQNUSA-N 412.460 1.961 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1nnnn1CC1CC1 1748680414 RUVNFUPTMJJIDX-MRXNPFEDSA-N 406.494 1.802 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1ncc(C)s1 1748847338 SFCGTVSKNKNXIZ-ZBFHGGJFSA-N 417.560 1.822 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCO2 1748948085 HEKKCKBZIIQOAF-UHFFFAOYSA-N 411.462 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)CC1 1748977368 HGMCEQUGENRFHY-MRXNPFEDSA-N 424.484 1.489 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749209246 RHPSKSNOGHXUAM-XIRDDKMYSA-N 404.515 1.619 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749677079 MMVUPGLKXBUGIX-GOEBONIOSA-N 405.524 1.473 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749687419 RLKSWRUARTZBJG-UHFFFAOYSA-N 424.505 1.127 30 10 HDEE COCCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1749699741 CEAMPBZWAFFVRO-UHFFFAOYSA-N 414.558 1.848 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)N2CCOCC2)C1 1749706962 SHNZVBIPNPCGAY-INIZCTEOSA-N 400.483 1.303 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2CCOC[C@@H]2C1 1749762119 POMAOIQPWQBFCK-SFHVURJKSA-N 400.552 1.704 30 10 HDEE CC(=O)Nc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)cn1 1749901836 GCENQBYYZQJJFY-AWEZNQCLSA-N 410.482 1.541 30 10 HDEE COCCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1750088590 MIFOPMDORGLJGH-UHFFFAOYSA-N 404.515 1.697 30 10 HDEE Cc1nccn1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1751813559 REPWRAVUPRJYFJ-PXNSSMCTSA-N 415.498 1.253 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1760119853 DTRLGQWAZQDQTL-KRWDZBQOSA-N 400.527 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)NCC(F)F 1760220103 BWBGPMTUICTQNU-UHFFFAOYSA-N 421.398 1.991 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2)CC1 1760268506 KUZDTHLEXSIBOG-UHFFFAOYSA-N 401.474 1.749 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)C1 1760539157 YTXZQCSZZNZQRM-NQIIRXRSSA-N 416.526 1.882 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nnn(C)n1 1762192757 GEYXLXNZPAOCJM-UHFFFAOYSA-N 422.497 1.276 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1767481784 DRRJAYRVGMIROH-LPHOPBHVSA-N 402.430 1.241 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1768107109 HIIUFVYLOHJPOV-UHFFFAOYSA-N 408.466 1.501 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768320246 ZPFBORFWMHXKTP-SSEXGKCCSA-N 423.502 1.644 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1769984365 HZYKNNKEBUZDJA-ZIAGYGMSSA-N 403.439 1.514 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1769995771 SPKVTTIQUCAIQU-GUXCAODWSA-N 417.489 1.903 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1770975424 KNKMNJNUEAHAEO-OAQYLSRUSA-N 413.526 1.782 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OC 1771223958 YZJJQRKNUYLATD-ZBFHGGJFSA-N 402.455 1.183 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1771342892 DWMFVDRNEHHBGA-PBHICJAKSA-N 411.503 1.581 30 10 HDEE C=CCN(C(=O)CCCn1nc(-c2ccc(OC)cc2)ccc1=O)[C@@H]1CCN(C)C1=O 1849441305 WGOPPJFXZYTPDY-HXUWFJFHSA-N 424.501 1.944 30 10 HDEE C[C@H](C(=O)NCC#CCN1CCCCCC1)N1C(=O)c2ccccc2S1(=O)=O 1849986518 MCEKFZWSVGLYPR-MRXNPFEDSA-N 403.504 1.215 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1851951206 YVQQPYWMRJBGQX-LBPRGKRZSA-N 412.416 1.507 30 10 HDEE CC(C)(CN1CCN(CCCS(C)(=O)=O)CC1)C(=O)Nc1ccc(C#N)cc1 1852217159 JMIHYDTXXMCRLH-UHFFFAOYSA-N 406.552 1.575 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1853679387 JRLFDQNPWGDMMW-UHFFFAOYSA-N 409.552 1.360 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCCO4)C3)CC2=O)cc1 1854186392 ODMFJQJACLSEKG-RTWAWAEBSA-N 410.518 1.415 30 10 HDEE Cc1noc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)n1 1854244977 TZCJTVUGJOGDLI-SFHVURJKSA-N 408.462 1.117 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCOc2ccc(OC)cc2)C1=O 1854283142 XDPKRBFJXNVLIP-OALUTQOASA-N 415.490 1.310 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@H]1C 1854312593 NQOHQCWTAFBODY-IAGOWNOFSA-N 405.520 1.333 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3cncc(Cl)c3)C2=O)C1 1854336168 MBWRVDNJDDBJMO-QGZVFWFLSA-N 411.849 1.896 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1855606702 XOWUPISKSUQDFB-IBGZPJMESA-N 417.531 1.994 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)CC[C@@H]3CCCO3)C2)CC1 1855852796 JKHOEHIHIXNALF-HKUYNNGSSA-N 411.506 1.410 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@@H]3COc4ccccc4O3)C(=O)C2)cc1 1856349969 HTWLJMWVGKTXEQ-FQEVSTJZSA-N 407.426 1.448 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1856637436 MLXXHUYVMCTMNS-INIZCTEOSA-N 422.551 1.088 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857051064 UVBDTHJBGBELFF-MAUKXSAKSA-N 414.506 1.651 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)C[C@H]1COCCO1 1857225371 CNLVOHPKXBUVBO-HOTGVXAUSA-N 405.882 1.742 30 10 HDEE COc1ccc2c(c1)c(/C=N/NC(=S)NCCN1C(=O)CSC1=O)cn2C 1860500516 VYSHYVSWCCVWRS-UFWORHAWSA-N 405.505 1.680 30 10 HDEE Cc1nc2ccc(N3C[C@@H](C(=O)N=c4[nH][nH]c(CC#N)c4C#N)CC3=O)cc2s1 1866256358 SBRLEDJXLBSJRZ-NSHDSACASA-N 405.443 1.679 30 10 HDEE O=C(CSc1nncn1/N=C/c1ccc(O)c([N+](=O)[O-])c1)Nc1nccs1 1874537704 QWOXJIOZHAZBSL-UBKPWBPPSA-N 405.421 1.961 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1 1889577965 RYBCQBDPIWKOBY-UHFFFAOYSA-N 423.554 1.387 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1896158254 ATCPWDPEODBBAD-LJISPDSOSA-N 410.320 1.813 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 2028858400 RBXSAONKHLYERM-OAHLLOKOSA-N 406.460 1.095 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CC1CC1 2050653852 QCXVCHSGDFMCJB-IBGZPJMESA-N 407.467 1.966 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180095693 VPAHVHBSFPLOCE-HUUCEWRRSA-N 400.541 1.965 30 10 HDEE COC(=O)NS(=O)(=O)N(C)[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2186589396 CZMXCKMIKFVORV-JTQLQIEISA-N 404.319 1.641 30 10 HDEE C[C@@H](NS(=O)(=O)C[C@@H]1CCC1=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186629027 NYBSKHYMSXSZLD-MNOVXSKESA-N 400.331 1.402 30 10 HDEE Cc1cc(CN(C)C(=O)CCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2202299214 HVZLKCYGGHHRSK-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE C#CC(CO)(CO)NC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2242273577 SZAPGVVOTGFUGY-UHFFFAOYSA-N 408.454 1.388 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243491656 DOCLNOQIRSQIQO-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2247811054 DQUWSDHSTYEGPB-OAHLLOKOSA-N 420.315 1.906 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C 2247831760 DDZUBUBBMIMMDO-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2)OC1(C)C 2247934209 RDCMQPMOMLFODL-NWDGAFQWSA-N 413.205 1.302 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2248036856 AKUZQCJXIGADIC-SJORKVTESA-N 419.331 1.960 30 10 HDEE C=C(CS(=O)(=O)N1CCC[C@H](C2(C)OCCO2)C1)B1OC(C)(C)C(C)(C)O1 2255776747 DJPNKKLEEFOMAN-HNNXBMFYSA-N 401.334 1.979 30 10 HDEE CN(C1CC(N)C1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355770 IMJQBUSGMJCKRD-UHFFFAOYSA-N 406.766 1.811 30 10 HDEE C=CC[C@@]1(CN)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2272076062 HTGCTXZHZPKBBW-NRFANRHFSA-N 419.547 1.866 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CNCC[C@H]3CO)sc2Cl)OC1(C)C 2281969215 KCAJVQFWCSASCH-JQWIXIFHSA-N 400.737 1.401 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CO)CC(C)C1 2282315137 KDBUUWNZYOWOJS-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE CSCC1CC(NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282494810 CSQPLQHFXXDDGF-UHFFFAOYSA-N 401.363 1.139 30 10 HDEE CC[C@H]1CNCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495192 JBGHKNLYRDPCNJ-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H]3O)c(Cl)c2)OC1(C)C 2282495885 SNOBKEYOYASXNS-UONOGXRCSA-N 401.721 1.831 30 10 HDEE C=C(CS(=O)(=O)N=[S@@]1(=O)CC[C@]2(CCCN2)C1)B1OC(C)(C)C(C)(C)O1 2282501974 DXEIOPDEXBMKTE-PUAOIOHZSA-N 404.363 1.498 30 10 HDEE CC1([C@@H](CO)NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282505310 BGVPZSRRROEDPV-CYBMUJFWSA-N 401.359 1.628 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)CCO2)c(B2OC(C)(C)C(C)(C)O2)s1 2282601651 HQRTVXMOFRRENJ-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE CC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCNCC1 2282841850 QICKQOJFCVIXSN-UHFFFAOYSA-N 401.363 1.004 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852376 OKGZBVXKGZVLKW-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282858299 UZHKDRMDYZAKNA-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=S2(=O)CCC(N)CC2)OC1(C)C 2282867082 SYTGWKJXDSINOY-UHFFFAOYSA-N 420.387 1.325 30 10 HDEE CC(C)[C@@]1(O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282867117 UGJOBIKIWPORKG-QGZVFWFLSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@@H](CO)C3)ccc2Cl)OC1(C)C 2282870242 PCXZMEBOYGUSSU-TXEJJXNPSA-N 401.721 1.688 30 10 HDEE C=C(CS(=O)(=O)N[C@H](C)CS(=O)(=O)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282872823 BUFMNKCHEGSUGA-CYBMUJFWSA-N 409.379 1.695 30 10 HDEE C[C@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393395 KGKXSELKWMGWNJ-KOLCDFICSA-N 419.355 1.584 30 10 HDEE C=C(COCc1ccccc1)[C@H](N)[C@@H](O)c1nc(Br)nn1CCOC 2328445682 RTXKZPRPUYAQOM-LSDHHAIUSA-N 411.300 1.821 30 10 HDEE CCCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cccc1OC 2330742738 IVFRGYHPEGCGLB-UHFFFAOYSA-N 420.495 1.171 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1ccc(OC)cc1OC 2331564895 CRABYQZOCGMTRS-UHFFFAOYSA-N 407.496 1.942 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC12CC2 2365201614 AVSFDXAMNVIABW-KUHUBIRLSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367786576 IDHRLDWJUAHJNA-GJZGRUSLSA-N 413.565 1.877 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCC[C@@H]1NC(=O)OC(C)(C)C 2367830778 LTISXAPHXLMCRI-ZRGWGRIASA-N 400.541 1.353 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)[C@@H]2CCCS2(=O)=O)OC1(C)C 2369900202 DOPVTPKLUSGSJL-LBPRGKRZSA-N 419.761 1.894 30 10 HDEE CCOc1ccccc1NC(=O)CS(=O)(=O)[C@H](C)C(=O)Nc1c(C#N)cnn1C 16893338 MJOMOJRZBBACDB-GFCCVEGCSA-N 419.463 1.071 30 10 HDEE C=CCOC[C@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36156838 BOAHRHGIBZUZDT-CQSZACIVSA-N 407.536 1.875 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 61021036 FNPZEPLOAPISQD-QGZVFWFLSA-N 406.402 1.316 30 10 HDEE COc1cc(CCC2CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)CC2)cc(OC)c1 409546591 VOJCKFVUHWBKHI-FQEVSTJZSA-N 423.535 1.818 30 10 HDEE CN(C)c1ncn(-c2cccc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2)n1 441762828 GNHHBGIPMPZHJV-UHFFFAOYSA-N 417.477 1.954 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCC3CCC(C#N)CC3)C2)cc1 442743163 YHKOFEJPUVEKPZ-UHFFFAOYSA-N 406.508 1.697 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN(c2nccn(C)c2=O)CC1)C(C)C 465541414 CNLRSUVKHMWVCZ-GOSISDBHSA-N 402.543 1.311 30 10 HDEE Cc1ccn(C)c(=O)c1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468182337 HVCBYVOGFSLNER-UHFFFAOYSA-N 415.475 1.104 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)CC1 469839219 CCFVFIWVXGPONF-ROPHOZQPSA-N 413.497 1.120 30 10 HDEE CNS(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1C 480664701 WUNRPJZUWJSGBA-UHFFFAOYSA-N 409.489 1.132 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](C#N)C1 485902533 XJHWZDGZOOAKCZ-GFCCVEGCSA-N 405.270 1.387 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 504073513 GMZRYZWYIKYCFP-SFHVURJKSA-N 407.496 1.977 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CSCC(=O)N3CCOCC3)CC2)cc1 505136714 OJMWMAJZBKUZQO-UHFFFAOYSA-N 403.504 1.520 30 10 HDEE CCOC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 530375335 LTYIJMDKNSCMIY-QGZVFWFLSA-N 421.519 1.921 30 10 HDEE N#CC1(NC(=O)Cc2ccc(S(N)(=O)=O)cc2)CCN(Cc2ccccc2)CC1 540898647 SCXMIAWXLPJXCC-UHFFFAOYSA-N 412.515 1.551 30 10 HDEE CC(=O)N1CCC(NC(=O)CNc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541078049 FCOURCKJEREZLG-UHFFFAOYSA-N 400.870 1.936 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)CC2)n1 544831411 AZPUGFIQZUQDRX-UHFFFAOYSA-N 403.442 1.565 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 546925478 OVBBBASLXMEVQI-KRWDZBQOSA-N 420.473 1.599 30 10 HDEE N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(N3C[C@@H](C(=O)O)CC3=O)cc1)CC2 550419517 HYFRMKZKSKAISW-HNNXBMFYSA-N 411.439 1.747 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)C2)c(F)c1 553459365 ITUKSHNESHIOPI-OAHLLOKOSA-N 420.510 1.596 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 553686180 ZXXNCHVCPKZYEH-QGZVFWFLSA-N 410.565 1.857 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)c2C)nn1 561103492 YTUVSHOYAKOEQL-INIZCTEOSA-N 419.445 1.930 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccnc(C#N)c3)cc2)C1 564441171 PCMOKOBQSAUWBK-CQSZACIVSA-N 401.448 1.901 30 10 HDEE COC(=O)C[C@@](C)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(F)c1 588972573 KYNLKKYKPWFBJK-LJQANCHMSA-N 405.451 1.934 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nccn2CC(F)(F)F)cc1 609037588 MPJQRLPLJNZRSJ-UHFFFAOYSA-N 415.397 1.567 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)ccc1Cl 609761615 VORVIWYZZYUFSN-UHFFFAOYSA-N 409.855 1.068 30 10 HDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 623010585 BXPYGVKDBPIVDX-UHFFFAOYSA-N 415.540 1.240 30 10 HDEE N#C[C@@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCN1C1CC1 732672093 CSXBJCXNFYZFIL-OFNKIYASSA-N 422.533 1.203 30 10 HDEE N#C[C@@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)CCN1C1CC1 732674778 LTXUWXNJFYHVKU-WOJBJXKFSA-N 401.486 1.581 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 734273097 LVONZFOUWPDICC-QGZVFWFLSA-N 423.558 1.405 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)OC(=O)C1(C#N)CCC1 745061983 BVHFFOUREBBFJL-LBPRGKRZSA-N 409.464 1.510 30 10 HDEE C#CCN(C(=O)Nc1ccccc1-c1nnnn1C(C)C)[C@@H]1CCS(=O)(=O)C1 753043648 HTRXRZQEHCUXBK-CQSZACIVSA-N 402.480 1.575 30 10 HDEE N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(F)c1 755301458 JHRSEYQTVOBMOW-UHFFFAOYSA-N 408.377 1.811 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)[C@H]1CCS(=O)(=O)C1 758438195 LJXOJZFBHWQNQH-STQMWFEESA-N 415.437 1.558 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 763003489 YCXAKSURLKZXPO-QGZVFWFLSA-N 417.462 1.589 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 767701144 WIQVYAVPSPXNLV-QFBILLFUSA-N 416.474 1.643 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCc2ccccn2)cn1 771898599 PYGLPVVWRLZSOF-INIZCTEOSA-N 400.508 1.998 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)ccc1Br 771935798 YBDICYHZYBWMQF-LLVKDONJSA-N 410.286 1.399 30 10 HDEE C#CCN(C(=O)NCCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774170897 IXTNOLOJYFGIHZ-FQEVSTJZSA-N 418.563 1.031 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 775445518 PREAIIGTDMMWOY-INIZCTEOSA-N 417.510 1.922 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCc2nnnn2-c2ccc(OC(F)F)cc2)cc1 780206453 SYVYXZJWRCRBHG-MRXNPFEDSA-N 401.329 1.912 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1[C@@H]2CCCO[C@H]21 780334481 QRZYZJNHKBJYRX-YXJHDRRASA-N 411.414 1.335 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CCN1C1CC1 782687130 NFSDMDPWGPQGBN-NSHDSACASA-N 405.252 1.592 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCOC 782919602 SBVGRTLKXUOSDU-UHFFFAOYSA-N 422.510 1.134 30 10 HDEE N#CCn1cc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)cn1 785129826 DQKAMHSWDMVTOZ-OAHLLOKOSA-N 404.434 1.536 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)n1 788618484 GUMRPDDOKSUKNJ-KRWDZBQOSA-N 423.473 1.402 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O)[C@@H]1CCS(=O)(=O)C1 788936285 OHQRUPIDNWFMKP-MSOLQXFVSA-N 417.531 1.549 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc2c(c1)CCC(=O)N2CC)c1cc[nH]n1 790000257 SIHIBKQQCSYNNO-UHFFFAOYSA-N 413.434 1.631 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(CC)c2=O)cn1 794596697 XIFKDCPOTVQJFR-OAHLLOKOSA-N 400.504 1.035 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 795816555 JVFPFUYMIUDSLX-PMACEKPBSA-N 412.490 1.257 30 10 HDEE N#C[C@@H]1C(CN2CCN(CC(F)(F)F)C(=O)C2)=CC(=O)n2c1nc1ccccc12 796560376 ANCUEHZXJRIJID-CYBMUJFWSA-N 403.364 1.930 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc(Br)c1C 798832605 PXNOIMMWTOFKAR-SNVBAGLBSA-N 412.269 1.595 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)c3cccc(Cl)c3S2(=O)=O)c1 799317849 YCYONJGLHOBENU-UHFFFAOYSA-N 410.860 1.830 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 800707542 SJAGCLHWISFCDT-MEUCICPISA-N 412.494 1.635 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 800788322 ZOBIKEVDGXHTGY-QRQLOZEOSA-N 402.543 1.347 30 10 HDEE CN1C[C@@H]2CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 816952384 JBNHCWULQNVNFH-DOTOQJQBSA-N 404.536 1.448 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc([C@@H]3CCC(=O)N(CC4CCCC4)C3)no2)C1=O 856575851 LXOMGKGITDOUSN-CQSZACIVSA-N 415.450 1.443 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCS(=O)(=O)C1 918754679 BGXPXRRXNVUHJT-KRWDZBQOSA-N 424.544 1.124 30 10 HDEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1OC 1083944786 FEXJJZPVNNZDCO-UHFFFAOYSA-N 416.467 1.732 30 10 HDEE Nn1c(NN=Cc2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1nccs1 1084259839 RHKDPJQNPCHHCX-UHFFFAOYSA-N 419.452 1.533 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1 1130359168 HSFZIMSZHPRIQT-HXUWFJFHSA-N 416.455 1.760 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)NC3(c4cccc(C#N)c4)CCOCC3)nc21 1131147022 VSXNCUVENSXOCM-UHFFFAOYSA-N 406.446 1.695 30 10 HDEE N#Cc1cc(F)c(OC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)c(Br)c1 1131399802 YGRRTIOAIQDQIY-QMMMGPOBSA-N 410.159 1.379 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 1137891710 CXICKSWXRFTWMY-HZSPNIEDSA-N 403.907 1.774 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1c1cccn1C 1138134905 CVTUBQUYGVLKBG-KBXCAEBGSA-N 402.476 1.164 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@@](F)(C#N)C3)CS(=O)(=O)[C@@H]2C1 1138251947 PALBLYQDYHVGDG-UHQDVWGKSA-N 415.487 1.121 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 1144027569 OCPDIALJASTBTK-UHFFFAOYSA-N 423.435 1.901 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)CC(C(=O)OC)=NO2 1154135021 DUDMNRYUVDWFNY-CQSZACIVSA-N 407.467 1.604 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](Cc2ccccc2Br)C(=O)OC)CC1 1158195815 WBYHLYMMKGXHFC-QGZVFWFLSA-N 407.308 1.995 30 10 HDEE C=CC[S@@](=O)(=NC(=O)c1cc(S(=O)(=O)NCCOC)c[nH]1)c1ccccc1 1180150927 VIQXNFYFDRTRLG-SANMLTNESA-N 411.505 1.793 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2noc(C)c2C#N)CC1 1180924874 FYALFGGFDGUJAQ-HXUWFJFHSA-N 409.490 1.289 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])C1 1213679739 HOFAHQJQRWEGON-LBPRGKRZSA-N 402.270 1.733 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1228508171 UALCCPXIICHLSA-SJORKVTESA-N 405.495 1.883 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC(C#N)CC2)C1 1248619846 HAUBTAAOWDRDQB-OAHLLOKOSA-N 414.528 1.356 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1=O 1264342077 NKXMLIDYIZSUPC-MRXNPFEDSA-N 412.471 1.956 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1286296753 RQELFLIVKNMYMS-INIZCTEOSA-N 417.535 1.371 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286384619 JCPOPJFGBMTMAR-WBVHZDCISA-N 404.540 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1CCCO 1286404311 RWGMXLKYGPRDEG-HXUWFJFHSA-N 407.518 1.873 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCOC1 1286455922 JWRLWGADQZXKLE-OAQYLSRUSA-N 408.437 1.665 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCO[C@@H]2C2CC2)CC1 1286470919 FNVJSTVVAYMTQQ-GCJKJVERSA-N 414.554 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCO[C@@H]2CCOC2)CC1 1286481830 YFFIQROFUAMPRZ-RBUKOAKNSA-N 403.527 1.123 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286509408 PVQDDMCSOLBSPY-ROUUACIJSA-N 405.568 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)cs1 1286819809 WQDUSIBXHIXWHG-OAHLLOKOSA-N 423.564 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CC1 1286820128 FNXPBYGVGRBLPB-OAHLLOKOSA-N 416.569 1.017 30 10 HDEE C=CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286827733 YMHOOVTWPQOASH-KRWDZBQOSA-N 417.535 1.824 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CN3CC[C@H](c4ccccc4)NC3=O)CC2)c1 1290527017 POKNGLWYJVWEMA-LJQANCHMSA-N 404.474 1.758 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CC)[C@H]2c2cccc(C)c2)CC1 1292889750 LUOMXAFZOWHTQG-REWPJTCUSA-N 424.545 1.188 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1297668018 GENDGGPNQKTCJY-ZIAGYGMSSA-N 407.496 1.554 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[S@](=O)CC 1300512551 XRRDWGYRUAJLBD-MUUNZHRXSA-N 400.504 1.804 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN2CCOC[C@@H]2C)CC1 1300692322 DRNFACFVQSBLJK-FQEVSTJZSA-N 408.550 1.729 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CC[C@]3(CCOC3)O2)CC1 1300725817 DSFOATRGDGNGIN-DYESRHJHSA-N 401.511 1.144 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1300849666 RYYAXZDMCSJYOW-VXGBXAGGSA-N 405.318 1.314 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300970064 JCLPNSGGVHEWPQ-UXHICEINSA-N 405.499 1.926 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1300982205 DHTFWZHANYSFQD-UHFFFAOYSA-N 422.555 1.394 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccn2)CC1 1301507339 ZTBRINULRRFCQU-UHFFFAOYSA-N 418.505 1.288 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](COC)C1 1301508331 IILDVDUOXMONKX-KRWDZBQOSA-N 424.505 1.504 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCOCC2)C1 1301557192 NFONVFCBWLAZFI-OALUTQOASA-N 405.543 1.676 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1301637246 QBNDUILQEORXGC-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)CCO1 1303001513 BVLMINXGEMSGTL-GFCCVEGCSA-N 407.381 1.283 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCC3(C#N)CCOCC3)CC2)c1 1305273970 BROIRQVURNSBFG-UHFFFAOYSA-N 415.490 1.993 30 10 HDEE CNC(=O)NC[C@H]1CN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 1307936926 OQHMKZTVVZSRJJ-MJGOQNOKSA-N 401.511 1.568 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC(=O)N1 1316291184 FNGSVQWINYOJLM-NVALYEJGSA-N 402.499 1.411 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1348382053 WTNMYNZDKGZUER-MRXNPFEDSA-N 423.535 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1358871028 YXSOSUJOUHURPF-POXGOYDTSA-N 402.524 1.931 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCN1CCN(Cc2ccccc2)CC1 1358945825 VXXCWOZJUKXBGX-UHFFFAOYSA-N 418.549 1.566 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCc1nc2ccccc2[nH]1 1358977258 IHWUZGJWPSKRMG-GOSISDBHSA-N 401.474 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(=O)NCCc1ccccc1 1358983997 DZEAPWAAKAKHTG-UHFFFAOYSA-N 420.517 1.238 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cccs1 1358984440 VHYGULDEBBYTBT-OAQYLSRUSA-N 411.531 1.946 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1359035220 OJGJPEBCQMXGKP-HXUWFJFHSA-N 414.554 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2COCCO2)CC1 1359047159 UDRLCMSTKFYOMU-IBGZPJMESA-N 415.538 1.392 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359188280 KOHPFZZRKXRAAK-QRWLVFNGSA-N 423.583 1.745 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359203460 PKUXOPGSUAGHOC-BEFAXECRSA-N 407.540 1.253 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)NC)C1 1359324903 UKNGROIEMQXMND-OAHLLOKOSA-N 411.553 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC(C)(C)[C@H]1C 1359327239 WGZBLFPTCABWHQ-CQSZACIVSA-N 413.544 1.021 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2Cc3cccc(C#N)c3C2)CCS(=O)(=O)CC1 1437269903 JBLYBXUTRLMYIO-UHFFFAOYSA-N 404.488 1.937 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)cc1OC 1452858304 BDWJLCJBTDBNNJ-SJORKVTESA-N 422.478 1.607 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1455115035 KPHCIZKGWHYKJK-UHFFFAOYSA-N 422.507 1.259 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cnc21 1463832658 AJBOBOIEPREAGU-UHFFFAOYSA-N 404.474 1.690 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1463960253 IXHLJSQCUXGWEO-NZSAHSFTSA-N 406.504 1.697 30 10 HDEE COc1cc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)ccc1C#N 1466661925 KZBXKGQYTIVFNL-UHFFFAOYSA-N 414.487 1.901 30 10 HDEE CC[C@H](CO)N(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1471288074 BTSCCVZDLMNEAG-MRXNPFEDSA-N 401.488 1.525 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccccc3C)noc2C)CC1 1471450493 BJVFZQUIQHNWAX-UHFFFAOYSA-N 402.476 1.184 30 10 HDEE CC(C)(C#N)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472221838 DJAWWOYQFOQUDE-CZDRUDQFSA-N 403.504 1.429 30 10 HDEE Cc1c(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn2c(C(F)(F)F)nnc2c1C 1472892507 VWMJQDHFLCAJLU-IINYFYTJSA-N 400.386 1.135 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N(C2CCCCC2)C2CCCCC2)c1=O 1473058796 FIKFZSZUDDMVMM-UHFFFAOYSA-N 402.495 1.368 30 10 HDEE COC(=O)[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Cc2ccccc21 1473692353 BQXNJQREMLRKFN-SFHVURJKSA-N 423.473 1.276 30 10 HDEE CN(C)CC#CCNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1479454645 HFVGWGHYEQHLDB-OAHLLOKOSA-N 402.499 1.138 30 10 HDEE C=CCCn1cc(C(=O)NCC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C)nn1 1490424174 BEYSXLCSRCLPDG-VWODBBQFSA-N 413.522 1.492 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)Nc1ccc(F)cc1 1492826966 GJURVAGSTCTWCX-UHFFFAOYSA-N 407.409 1.899 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCO1 1499680309 CZMHODGITNQGLL-QGZVFWFLSA-N 420.477 1.585 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCC1 1503280091 HQIIFPMYXWHFJE-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1507545457 KDDBJDRJRURLCV-OAHLLOKOSA-N 421.523 1.215 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CCOC)c1 1507551643 GGUFKFYRIVSVJH-UHFFFAOYSA-N 404.474 1.967 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1507620849 KCXJPGZJDCOHIW-UHFFFAOYSA-N 401.584 1.729 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507632660 OSXLCUWOQIBDDJ-DLBZAZTESA-N 410.540 1.224 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507833009 SAUXKKCIIOGESN-GOSISDBHSA-N 411.554 1.877 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507843963 ZPRMFYSGEJBLAL-HRCADAONSA-N 402.499 1.069 30 10 HDEE C[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510107957 JBSQCTVVDLBVMP-HNNXBMFYSA-N 418.505 1.749 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H](C)O1 1514141769 OEKPLPXBUIMPEB-QAPCUYQASA-N 407.482 1.897 30 10 HDEE CC[S@](=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516873636 BZIBNJISARIQLV-HPGBDJQBSA-N 418.592 1.876 30 10 HDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1CC1(S(C)(=O)=O)CC1 1517391255 GJHNVZAKFRZHFJ-UHFFFAOYSA-N 402.524 1.991 30 10 HDEE C[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1520753635 AVCSZGILAFVXDD-GUUPXCIISA-N 402.499 1.716 30 10 HDEE C#CCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1520935038 JEPFHJPDCGJCAQ-RRFJBIMHSA-N 402.488 1.230 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C)CN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]2C)C1=O 1526435878 RNAKIIVGLPJLOV-HZSPNIEDSA-N 422.482 1.208 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1528682220 GBWLUNMMKQIXQX-KRWDZBQOSA-N 409.446 1.633 30 10 HDEE CCCn1c(N)c(N(CCOC)C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(O)nc1=O 1530599396 GJFVIXFPBFOVRM-JKSUJKDBSA-N 411.462 1.596 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CC 1539359462 HSHFWXJDKHUCEF-IBGZPJMESA-N 405.510 1.865 30 10 HDEE C#CCN(CC)c1nnc(C2CCCC2)n1CCS(=O)(=O)N1CCSCC1 1539365017 FHYYVAQRBZXZEK-UHFFFAOYSA-N 411.597 1.774 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539516854 FLGFWPOWFPANIH-FUHWJXTLSA-N 400.552 1.715 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)cc1 1539534020 XJMDNNLLOWKHMB-JOCHJYFZSA-N 406.490 1.653 30 10 HDEE C=CCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861289 KHWRVGVNJGDBQV-DYESRHJHSA-N 419.526 1.332 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1540891332 SLBDQCKMEVKHJX-DLBZAZTESA-N 410.478 1.158 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O 1541116149 KNVMXJVTRQNOCS-LBPRGKRZSA-N 412.466 1.292 30 10 HDEE O=C(COc1ccccc1CNC(=O)c1cccc(C#CCO)c1)NC[C@@H]1CCCO1 1543053553 KHUPKZCYBJYTDI-NRFANRHFSA-N 422.481 1.634 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCc4c(CC#N)cccc4C3)CC2=O)cn1 1543572032 DQFXJDNXUAESQA-GOSISDBHSA-N 407.474 1.533 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1545461629 YMTBEILILQPPBH-CYBMUJFWSA-N 418.523 1.761 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1548265857 MGJRXMVBTPUHKM-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367893 UWXITRLPOFTAIN-INIZCTEOSA-N 420.395 1.388 30 10 HDEE Cn1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)n1 1554342406 ZEBNINSTNSVGJK-QGZVFWFLSA-N 408.422 1.558 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)C1=O 1556382948 AOLBZZOHWIVZCO-MRXNPFEDSA-N 420.514 1.442 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCCN3CCO)C2)C1 1556714394 FVCQTASENJVYPG-YHHIVYBXSA-N 420.554 1.736 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 1558061041 ZEUCVTNPCAOKEO-QZTJIDSGSA-N 414.311 1.414 30 10 HDEE CC1(C)OB(c2ccc3cc(NC(=O)C4(S(N)(=O)=O)CC4)ccc3c2)OC1(C)C 1558166770 YQELPWKBCUQFCA-UHFFFAOYSA-N 416.308 1.899 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690328 QGXZZMHHLXAIOA-GOSISDBHSA-N 410.474 1.646 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1566160613 BJZPARPTIPKQLU-CQSZACIVSA-N 400.410 1.672 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1566177828 CAYQOTXNDWIKNH-INIZCTEOSA-N 405.499 1.845 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCC(=O)OC)CC(OC)OC 1567465101 JXFDCOLAYDYPDZ-CQSZACIVSA-N 400.472 1.304 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)cc1 1569513063 CGILMKSRGODQCD-SFHVURJKSA-N 414.487 1.042 30 10 HDEE CC(C)(NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1cccc(C#N)c1 1584358897 FXXRMRROYPBISE-SFHVURJKSA-N 410.449 1.652 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3CCC(S(C)(=O)=O)CC3)cc2C1=O 1584436865 SNWNWTUKKCPDPN-UHFFFAOYSA-N 404.488 1.802 30 10 HDEE Cc1oc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1S(=O)(=O)N(C)C 1585827236 CXXYJWHEPWCMKU-UHFFFAOYSA-N 414.447 1.602 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@H](C)CS(C)(=O)=O)s1 1586097366 JHLBANRDJWZMRP-GFCCVEGCSA-N 408.567 1.037 30 10 HDEE CC(C)[C@@H](NC(=O)CC1(C#N)CCOCC1)C(=O)N(C)Cc1nnc2n1CCC2 1586540445 QXJSMTSETMDRIF-GOSISDBHSA-N 402.499 1.034 30 10 HDEE COC(=O)N(C)CCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1586615984 ZKKPUHAVHNCXLA-UHFFFAOYSA-N 422.507 1.116 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCS(=O)(=O)NC 1588482560 SZVGJJIBQBKMDE-UHFFFAOYSA-N 405.499 1.874 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCN2CC)CC1 1588751547 LYECGZRPPSEFRJ-DENIHFKCSA-N 416.570 1.170 30 10 HDEE CC(C)CN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1607295195 KJXNYYZEKKZZIY-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1607586889 XYDDPROEOOCJKN-CJNGLKHVSA-N 401.410 1.938 30 10 HDEE CC(C)S(=O)(=O)c1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1611166170 WWGYNGQBMSTNSQ-SJCJKPOMSA-N 414.480 1.018 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1611314481 KKNIOHJILRTMGL-IBGZPJMESA-N 423.565 1.906 30 10 HDEE COc1ccc(C(=O)N2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)c(OC)c1OC 1615791462 DQYHJTLIIDCJFR-MRXNPFEDSA-N 417.506 1.915 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3ncnc(O)c3C2)C1 1616764878 JILYLRVTHBEKNL-UHFFFAOYSA-N 414.263 1.837 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)Cc1ccccc1OC)c1cc[nH]n1 1620922127 QPPVKNDIKWLXBY-AWEZNQCLSA-N 402.451 1.792 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1623239770 HFCNPCPWPZLMGQ-KRWDZBQOSA-N 405.474 1.646 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C 1624436969 DIJDCYSPZDZVEN-LSDHHAIUSA-N 413.515 1.637 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1627302550 CQOKGKNRJZLRSH-CVEARBPZSA-N 405.499 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CC[C@](O)(CC#N)C2)CC1 1630966148 KPPNGNGJPRTYTK-LJQANCHMSA-N 404.471 1.341 30 10 HDEE C[C@H](O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F 1631989484 MVNHWLZHCQLPAD-NQCMUKECSA-N 419.478 1.881 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1632796080 FRYQYAVRCQWXQN-GOSISDBHSA-N 403.479 1.922 30 10 HDEE C=CCONC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1635306322 KNNIVTYKBGRGEQ-UHFFFAOYSA-N 404.286 1.583 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1635508403 OIOHCUIBLPANOB-KGLIPLIRSA-N 419.530 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697441 MUNZMUWPSSMARM-KHYOSLBOSA-N 411.524 1.563 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)CCCc2ccccc2)CC1 1636335529 VUDIDXSXFKVARH-UHFFFAOYSA-N 420.517 1.924 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)cc1 1637381576 WNGVZSOSFONJET-QGZVFWFLSA-N 401.492 1.275 30 10 HDEE C=CCC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OCC 1640864105 PHJAOSYKNUYBIZ-KRWDZBQOSA-N 409.508 1.496 30 10 HDEE C=C[C@@H](O)C(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1641123423 LNSHMPIDAZGXHG-NVXWUHKLSA-N 419.526 1.720 30 10 HDEE CC(C)(C)N1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1643607004 XVVMRCWOONCHEI-AWEZNQCLSA-N 406.508 1.021 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2nnc(-c3cccc(C#N)c3)o2)C1 1644382819 UQRKOMQGVXBORM-UHFFFAOYSA-N 424.461 1.530 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1 1645273422 BNJBNHVKRMTQJM-CQSZACIVSA-N 404.467 1.782 30 10 HDEE Cc1c(C#N)c(NC(=O)CNC2(C(N)=O)CCOCC2)n(Cc2ccccc2)c1C 1647256234 DCKXLNOVBYSQRF-UHFFFAOYSA-N 409.490 1.588 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1648119286 SSAWHBLNNIYXQS-KGLIPLIRSA-N 419.551 1.703 30 10 HDEE CN1C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1648178316 XWLPETVGSULSAB-PKOBYXMFSA-N 417.469 1.941 30 10 HDEE Cc1ccc(C(=O)N2CCC(NC3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1650838341 OOEUVZQJEQVSMK-UHFFFAOYSA-N 420.535 1.170 30 10 HDEE Cc1ccn(C[C@@](C)(O)C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(=O)c1 1651185077 OBMGSOJYSPGQKV-OAQYLSRUSA-N 404.316 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)CC1 1652325325 PPAUESPGOHHTOD-ZWKOTPCHSA-N 420.554 1.832 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1656234539 SJTQQOQNUQWFNS-SNVBAGLBSA-N 410.311 1.169 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C2CCN(CC(F)(F)F)CC2)CC1 1658993906 YAOIJSVTXGOOPI-KRWDZBQOSA-N 403.493 1.637 30 10 HDEE C=CC[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1668560447 TXMOUHOHKITYDD-ROUUACIJSA-N 400.527 1.890 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCC(n4cnc(C(N)=O)c4N)CC3)cc21 1680806232 RGXVSJJPQPFNLB-UHFFFAOYSA-N 408.466 1.969 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1689892585 IORAZJVWWBKPEY-ZACQAIPSSA-N 421.567 1.507 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1689901249 GNUNNBJIFRGQAB-ROUUACIJSA-N 401.511 1.588 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1689928133 HOGMUOUCOBOWRU-LSDHHAIUSA-N 413.482 1.727 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(C)c1C 1690092535 LXOMIYPMLXJNBS-UHFFFAOYSA-N 422.493 1.410 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CCOC)C1 1690674926 KUCMIZVBCBCSJM-KRWDZBQOSA-N 401.515 1.305 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1690733763 MMYCIEKYODHHNO-AWEZNQCLSA-N 415.523 1.559 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696090591 TVPVKFGBSLQRPZ-PXNSSMCTSA-N 417.466 1.295 30 10 HDEE COC(OC)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)c1 1697188604 KVHHGDHHDHGIBS-QGZVFWFLSA-N 421.461 1.804 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1705490120 CKDBGOOJIVIZQL-INIZCTEOSA-N 405.506 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1705495135 KYDAVBZSMMQCNG-YJBOKZPZSA-N 416.503 1.849 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)OC(C)(C)C 1705547028 PYSKRUUPVURXCY-HXUWFJFHSA-N 407.515 1.914 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1705570983 TXQOQJGMWJSBIG-MRXNPFEDSA-N 418.519 1.533 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1 1705588796 KKCLTXHAKWEBSD-GOSISDBHSA-N 420.583 1.227 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1csc(C)n1 1705620795 GOMFBPGBAQEOSM-UHFFFAOYSA-N 402.524 1.608 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC(C)C 1705673831 OFGAPFGVXIDLPP-LJQANCHMSA-N 404.540 1.604 30 10 HDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705831157 IFNUZIYLJMAYRW-GOSISDBHSA-N 414.485 1.815 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1)C1CC1 1705854084 ILMVTLALIBWMKH-QGZVFWFLSA-N 421.567 1.594 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1705894764 KEEJBCBREWKIRI-UHFFFAOYSA-N 400.458 1.696 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C)C1 1705895234 YXFBGQSRAXFMMC-MRXNPFEDSA-N 412.494 1.675 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(N)=O)C1 1705899072 HOZFCGSKXKSNQQ-CYBMUJFWSA-N 402.886 1.602 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1706238669 BDDFGOMHTLCAAR-UHFFFAOYSA-N 406.494 1.959 30 10 HDEE CN(C)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1710978331 HXPQWVQZIGCRSY-MRXNPFEDSA-N 422.555 1.179 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)C1 1712874769 BQVDSYBYLFIKSE-MRXNPFEDSA-N 413.791 1.817 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCS(=O)(=O)C1 1712887278 ALCASWDFRPJXHM-SJORKVTESA-N 407.540 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1722275527 DYCDNOYTDVKIRV-GCJKJVERSA-N 419.570 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722290470 FZBRIBUURSFJNW-SOUVJXGZSA-N 404.515 1.848 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722290853 BKXFTQOSPRLCMD-WBVHZDCISA-N 417.535 1.586 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1722339901 GJUJDEKDIADQGX-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722367970 YMAXAJUQRYOKBN-SJLPKXTDSA-N 402.520 1.989 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722368661 UJPCKUWHLIFXRI-GOSISDBHSA-N 421.611 1.979 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722406360 XNAZUOYCTNTDEA-VZCXRCSSSA-N 415.457 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722446019 JOOXAMIZMLCLCD-KRWDZBQOSA-N 423.521 1.154 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722556396 QUOZQQOZBSXVKC-AWEZNQCLSA-N 417.963 1.785 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722566712 XOZXXODDMWALEW-IAGOWNOFSA-N 409.556 1.958 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)NCC)CC2)nnc1[C@@]1(OCC)CCOC1 1722622343 IKMOYDBJTOAKTL-HXUWFJFHSA-N 406.531 1.748 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722638253 SENUMVIZLZWHIW-UHFFFAOYSA-N 409.494 1.816 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2snnc2C)C1 1722719902 BVNRIUBBANKPBN-CQSZACIVSA-N 403.512 1.390 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1730596577 XEFHGMTZEUHIRA-RXVVDRJESA-N 413.478 1.474 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1740955288 OVGYDNIUQYWVJT-HNNXBMFYSA-N 419.489 1.462 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1745801131 HAYOGOXJLGQGHF-GOSISDBHSA-N 412.494 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C 1748667761 ZQQMYTQKJNNNHR-KFKAGJAMSA-N 410.522 1.999 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748816103 WWUXOTUWSKKJOP-KRWDZBQOSA-N 411.487 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCCCO2 1748851974 SCWCIRDNQUTJGT-UHFFFAOYSA-N 419.485 1.683 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)C(C)(C)C 1748882653 ALGVAJPFRYSPKM-UHFFFAOYSA-N 401.536 1.960 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H]2CCCCO2)CC1 1748979226 WGWXDLCKGFTICE-SIKLNZKXSA-N 417.554 1.645 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSCC=C)CC1 1749001525 VMQPFSRNQQSVLF-UHFFFAOYSA-N 418.567 1.301 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1749135881 JEJWEDJJKQMNNA-FOIQADDNSA-N 415.469 1.914 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749229430 KMRMKOZHOXVAPF-GOSISDBHSA-N 420.558 1.021 30 10 HDEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1749275619 IRSNZGBNKXDDHI-UHFFFAOYSA-N 424.977 1.648 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCN2CCN(C(C)=O)CC2)CC1 1749343735 QUJKOBFRRHALAE-UHFFFAOYSA-N 423.565 1.830 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749459911 VTBVOAQOEPDJEZ-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760144503 RNXUZZIJUVGFNB-GOSISDBHSA-N 423.521 1.497 30 10 HDEE C#CCCCn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1760159405 FYHQXZARZPWPRV-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCCO1 1760171281 JXJKTSWGSXMBKR-HNNXBMFYSA-N 401.467 1.661 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCNS(=O)(=O)CC 1760177588 LHVZAJBDEIYGCY-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1760189932 RYUPKSQPSJBDRN-HNNXBMFYSA-N 418.548 1.281 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCN1CCSCC1 1760250130 DSDCQMHCHCMDCM-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccnc1C 1760329437 BQDZDYGCMCREHI-HNNXBMFYSA-N 407.544 1.632 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1760449137 BNQNQFAHBGOEME-KRWDZBQOSA-N 404.515 1.174 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCO 1760692864 KGMCKIZLDVKMOP-HNNXBMFYSA-N 401.467 1.711 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1760695575 JYBVFPMVMILOHC-AWEZNQCLSA-N 410.457 1.815 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1767882459 TYDAPWAYZVUGNH-INIZCTEOSA-N 411.462 1.643 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1c(C)nn(C)c1C 1769845415 NAMCKCBXMSIJFX-KRWDZBQOSA-N 401.515 1.937 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1769845604 PIYCCWXDWKFFLH-IBGZPJMESA-N 424.505 1.717 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCO[C@H]1C 1770189202 DWCWQMVLFSTVIC-QUJKESNLSA-N 419.526 1.672 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1771183710 RYDSKVNGFAVANQ-LTDXQCTPSA-N 418.498 1.375 30 10 HDEE CC(C)(C)OC(=O)N1CS(=O)(=O)CC[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1772794783 WWZFFCJMPVJXPW-CYBMUJFWSA-N 424.431 1.123 30 10 HDEE N#CCCN1CCN(C(=O)CCn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CC1 1851766734 UKEJBWCRWRUWFR-UHFFFAOYSA-N 422.464 1.750 30 10 HDEE CN(C)C(=O)COc1cccc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c1 1851781547 COFUPFALDCUHSO-UHFFFAOYSA-N 421.397 1.638 30 10 HDEE CN(CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)C(=O)OC(C)(C)C 1851856350 JDDQJQORQDXOKN-UHFFFAOYSA-N 403.483 1.485 30 10 HDEE N#Cc1ccccc1OCC(=O)NCc1nc2ccccc2n1CCN1CCOCC1 1851879076 YVBFBHQAOADDTF-UHFFFAOYSA-N 419.485 1.935 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1c2c(nn1CCC#N)CCC2 1852640349 HUUCFMBVZCNSPP-UHFFFAOYSA-N 411.466 1.311 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)CCOCC#Cc2cnc3ccccc3c2)CC1 1853102452 IDOOYEQJLVPPDA-UHFFFAOYSA-N 415.515 1.487 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2c(C)noc2C)C1=O 1854097694 BVJTUMOSMXSXGW-MSOLQXFVSA-N 402.495 1.460 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccc(OC)nc2)C1=O 1854131093 BSEXMXUKBRRCPO-IRXDYDNUSA-N 400.479 1.330 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)CCc3scnc3C)C2=O)CC1=O 1854861881 BNSTZFHPUPSEAP-CVEARBPZSA-N 404.536 1.478 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1C#N 1855223049 PCUAADZUIFAGTK-FQEVSTJZSA-N 404.474 1.610 30 10 HDEE Cc1ccc(N2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)nn1 1855881375 RNARZKJZOWQQFB-SFHVURJKSA-N 404.474 1.468 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCN([C@@H](C)CCC#N)[C@@H](C)C3=O)nn2)cc1 1856262299 IJMRJJOBTVFAOO-HOTGVXAUSA-N 410.478 1.700 30 10 HDEE N#CCCN1CCN(C(=O)Cn2nnc3ccccc3c2=O)C(=O)C12CCCCC2 1856637578 QUFVKMMPDLHCAF-UHFFFAOYSA-N 408.462 1.079 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc(C)c3)C2)CC1=O 1856820202 VSJNZUFAQINDKG-KRWDZBQOSA-N 405.520 1.395 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 1856832549 RJLXGCQQPUYRCH-SNVBAGLBSA-N 405.354 1.247 30 10 HDEE COc1cccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857056852 QKNLQKYWZGWFCU-MRXNPFEDSA-N 405.476 1.249 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)cc1 1857375697 VUTNQCNRIWMLIS-LJQANCHMSA-N 402.454 1.782 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCn3cnnc3C2)CCN1Cc1ccc(C#N)cc1F 1857423989 OBPMSTNIYNZXLS-OAHLLOKOSA-N 410.453 1.501 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 1858033768 XZAKVOKGKRLHGU-UHFFFAOYSA-N 417.487 1.900 30 10 HDEE C=CCNC(=O)[C@H](CCCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861497138 VDSNOIPQMYBOES-HNNXBMFYSA-N 421.494 1.419 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCCC2=O)=C(c2ccc(NC(C)=O)cc2)C1=O 1863545612 GLKJXUZKSWNXEC-UHFFFAOYSA-N 410.474 1.513 30 10 HDEE O=C(O)c1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 1873529427 SJQGWDSDZZXASC-CIPPFVMLSA-N 410.839 1.401 30 10 HDEE C=CCn1c(C(=O)NCCCOC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873591762 QJOWMWYGNSDQAB-UHFFFAOYSA-N 400.483 1.052 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874432706 STPLVPOFXSZXBN-ZVBGSRNCSA-N 418.479 1.113 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ncc(Cl)cn3)CC2)CC1 1889281309 ALLQFJWUZQZKJE-UHFFFAOYSA-N 405.930 1.392 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 1889529393 VHZWDPBIPLGSBO-UHFFFAOYSA-N 409.527 1.246 30 10 HDEE CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1 2040797507 ALCKHDJHCMJYML-UHFFFAOYSA-N 412.475 1.883 30 10 HDEE N#CCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 2060432438 BQYSIGJFNMLHRI-UHFFFAOYSA-N 424.494 1.909 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)N1CC[C@@H](C#N)C1 2118165763 FNDZVJVGMYSHGR-NSHDSACASA-N 400.423 1.466 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N)NC(=O)OC(C)(C)C 2162923949 CNANGLAXFZUDGQ-KPHLJTLVSA-N 416.525 1.840 30 10 HDEE C[C@@H]1[C@@H](C(F)(F)F)N(S(=O)(=O)N2CC(C#N)C2)CCN1C(=O)OC(C)(C)C 2174779098 FLPYRKXNUCHLDS-PWSUYJOCSA-N 412.434 1.559 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@]1(C)CNC(=O)OC(C)(C)C 2174781402 FQHOQPQRCPSJFB-KSSFIOAISA-N 400.545 1.949 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)C1 2183036167 ORUPEWWAAJEYDO-KGLIPLIRSA-N 401.529 1.231 30 10 HDEE COCCNS(=O)(=O)N(C)[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186587551 WMNQRQKTMPMDAB-LBPRGKRZSA-N 404.363 1.521 30 10 HDEE CC1(C)OB(c2cscc2CN2CCO[C@@H](CS(C)(=O)=O)C2)OC1(C)C 2235500232 GDWDGBBZRMISBJ-CQSZACIVSA-N 401.359 1.293 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243381046 HRTYVVXIAXIBIW-HDJSIYSDSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243402496 IPIPBKGPEKLMCR-UHFFFAOYSA-N 406.292 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2243436995 QHIBFILWIQJUQB-NWDGAFQWSA-N 409.292 1.060 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247826197 PSKFUFDGENGWJN-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](N)[C@@H](CO)C3)sc2Cl)OC1(C)C 2281971368 VOXRCAATSQURHY-PWSUYJOCSA-N 400.737 1.482 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991541 BHTVYXOIHWNCIS-CQSZACIVSA-N 405.304 1.443 30 10 HDEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282029334 QNQFHGBKSIZRBG-PHIMTYICSA-N 400.331 1.090 30 10 HDEE CNC1CCC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282329479 MXCXEBVVTCNTNR-UHFFFAOYSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@](C)(=O)[C@H]3CCNC3)c2)OC1(C)C 2282330364 YQFRXLVOANXQNF-UOXLDJKESA-N 420.387 1.196 30 10 HDEE C[C@H]1CNC[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282339376 XSQJOMILKQVURF-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC[C@H]2CN)OC1(C)C 2282340594 HYDCYYOVGXQFNS-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CN)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282408558 JALBYXCQPMESJD-VIFPVBQESA-N 414.280 1.524 30 10 HDEE CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420335 XOUDDFALOFLUBU-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CC1(C)[C@@H](CN)C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854170 OGHVZXZBGVRXKC-DGCLKSJQSA-N 400.375 1.699 30 10 HDEE CN(C1CCC(N)CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882166 HUOPTWABXIFICD-UHFFFAOYSA-N 400.375 1.938 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284392843 CAHPJCDRTKIEJT-QWRGUYRKSA-N 401.315 1.416 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](F)C[C@@H]2C(=O)O)OC1(C)C 2284400471 WIMITRCTZCIOPB-MWLCHTKSSA-N 405.278 1.233 30 10 HDEE CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284406214 VKRMSEBYTLRYGW-NSHDSACASA-N 403.331 1.921 30 10 HDEE C[C@H](C=CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284406327 XBDMHDWMBUEQPV-LLVKDONJSA-N 401.315 1.496 30 10 HDEE C#CCN(CC(=O)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2308026303 PYUJHKYTOATIRL-UHFFFAOYSA-N 401.261 1.740 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2319403687 NQSFDHZJOVZWPP-FXAWDEMLSA-N 406.504 1.058 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccco2)cc1 2330481197 HJXYHIJXTIBRJV-UHFFFAOYSA-N 403.460 1.826 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2362569913 RGPQAVHSFZXBTR-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CCN[C@@H](C#Cc1nccs1)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363541564 KDJSUFYCFDMQNF-GJZGRUSLSA-N 413.565 1.897 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2365207189 MBKUYOGGRMAHCJ-CLCXKQKWSA-N 402.557 1.409 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2365212520 RYZHYWPYCYLGBZ-ARFHVFGLSA-N 404.573 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792566 PQXKNZUANXECSU-OLZOCXBDSA-N 414.553 1.272 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367801361 RETXDJHBIQVVKQ-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)CCC(=O)OCCOC)cc1 8568672 QHQAWDKKUUNALL-UHFFFAOYSA-N 410.492 1.958 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1 12100615 FCALEVBWXGABAK-UHFFFAOYSA-N 405.520 1.626 30 10 HDEE CC1CCN(c2nnc(Sc3c(C#N)c(=O)n(C)c(=O)n3C)n2C2CC2)CC1 14311257 CYVORNAGCMCCEK-UHFFFAOYSA-N 401.496 1.270 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 16893301 VFPKNGPCMMZLLY-SNVBAGLBSA-N 409.855 1.326 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 52305234 HXSUJMDWEFQBED-KRWDZBQOSA-N 418.538 1.109 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)cn3)cc2C1=O 53744154 SKIATZUKTHYUSS-UHFFFAOYSA-N 405.458 1.868 30 10 HDEE C=CCOc1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCCCC)c1 66228221 AKSGXAHXHDTANZ-SFHVURJKSA-N 403.479 1.724 30 10 HDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)C[C@H](C)C#N)CC2)c(OC)c1 409571454 VOTHRKUABJNAEH-CQSZACIVSA-N 424.523 1.234 30 10 HDEE C[C@@H]1C[C@@]2(CCO1)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C[C@@H](C)O2 431248506 RCURFBOMZAPBGW-QINHECLXSA-N 406.504 1.658 30 10 HDEE N#Cc1c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)sc2c1CCCCC2 434788131 XUXHGJSKCKUJSD-LJQANCHMSA-N 401.492 1.501 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCC(=O)NC1=O 435989179 BUPDHJRTOFBSNA-NSHDSACASA-N 410.224 1.020 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CC(=O)N5CCC4)CC2)n1 462691259 ZBGYSLNYXVDGSM-UHFFFAOYSA-N 423.498 1.299 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 464960484 KELDTORWRKPCAA-HNNXBMFYSA-N 411.485 1.969 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465492927 GVGTXJQMXMFYPM-YJBOKZPZSA-N 407.478 1.235 30 10 HDEE N#C[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccc(Br)cc1 468397831 QVKFIJSNTYOOMU-MRXNPFEDSA-N 414.263 1.775 30 10 HDEE CS(=O)(=O)CC[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 471297431 JUJZVYPWGFORPP-LJQANCHMSA-N 412.515 1.820 30 10 HDEE Cn1ncc(C(=O)N2CCN(C(=O)c3cnn(C)c3C#N)C3(CCCCC3)C2)c1C#N 476105926 DCOFUZDKSOLZCT-UHFFFAOYSA-N 420.477 1.198 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CN3C(=O)CSc4ccccc43)C2=O)cc1 486012428 BYOBHSFVVXEWAN-QGZVFWFLSA-N 420.494 1.914 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H]2c2noc(C(C)C)n2)C1=O 501829488 OMMHZAQJSAVTQZ-ZDUSSCGKSA-N 403.439 1.614 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 508496164 CMLZJUBPSLDYCD-UHFFFAOYSA-N 412.538 1.248 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 508798989 ZEEIZYRCODGIOL-CABCVRRESA-N 413.544 1.048 30 10 HDEE COc1ccc(CN2CCN(CC(=O)NC3(C#N)CCC3)CC2)c(OC)c1OC 525893428 BRERPMPIFBBTAS-UHFFFAOYSA-N 402.495 1.392 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H]1c1ccc(F)cc1 534648798 CMQRBOVUYIFFTG-AZUAARDMSA-N 407.449 1.961 30 10 HDEE N#CC1(c2ccccc2)CCC(N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 537298046 XUJWGRHFSWESSY-YZDRJCRTSA-N 403.548 1.478 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NCCOc1ccc(C#N)cc1 537900213 NNTQUEAZXMBXDF-INIZCTEOSA-N 417.491 1.932 30 10 HDEE CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541105904 FSVMSJMZXSFBGR-MRXNPFEDSA-N 418.885 1.554 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCN1S(C)(=O)=O 543887977 QLFNGYXPQJZRQI-LBPRGKRZSA-N 422.898 1.895 30 10 HDEE N#Cc1ccc(S(=O)(=O)N(CC(=O)O)CC(F)(F)F)cc1Br 555774014 ZNYSBGNQGGCQPE-UHFFFAOYSA-N 401.160 1.958 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 559140368 LNLJBLNQBKAVMF-AZUAARDMSA-N 420.579 1.841 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](N3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 562753267 GSLYDMABJDPVTQ-LJQANCHMSA-N 402.520 1.554 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)c1 568804806 IOCXSYIAQXGVKE-LJQANCHMSA-N 414.443 1.203 30 10 HDEE CC(C)CC[C@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 569164598 KQLKPRDAFOUFLK-LJQANCHMSA-N 404.492 1.864 30 10 HDEE C#CCn1nc(CNC(=O)CCS(=O)(=O)c2ccccc2)c2ccccc2c1=O 585170669 OVHOZNIOLMQGRI-UHFFFAOYSA-N 409.467 1.510 30 10 HDEE N#Cc1ccc(Cn2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2=O)cc1 586561468 XLBAHAYPWYJMBR-UHFFFAOYSA-N 422.466 1.346 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NC[C@@H](O)CS(=O)(=O)c3cccs3)CC2)c1 586800588 ODUQOFBGPXLGOX-OAHLLOKOSA-N 408.476 1.741 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 603441076 ZEMLBWOFVUOUJU-OAHLLOKOSA-N 420.510 1.230 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2SCC(N)=O)CC1 619510083 LRKHTISOONFQDM-UHFFFAOYSA-N 410.503 1.291 30 10 HDEE C=CCOCCNC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 679502778 ORAMOOBKBMZZRU-UHFFFAOYSA-N 400.277 1.282 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1F 679533796 ZBVVCAIYAWUAAM-OAHLLOKOSA-N 420.485 1.896 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nccnc2-c2nc3ccccc3s2)CC1 680516682 FLGJHYKDNKHCHE-UHFFFAOYSA-N 422.514 1.813 30 10 HDEE C=C[C@@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 717551183 CIDAHWPLPPYUQQ-ZETCQYMHSA-N 400.092 1.619 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1Cl 730139714 CFUPLDVKBUTYKY-OAHLLOKOSA-N 412.943 1.986 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)c1ccc(C#N)cc1 740198359 FGSRQZCNTALYML-KPFBPEDLSA-N 413.430 1.816 30 10 HDEE CCOC(=O)COc1ccc(CCNc2ccc(S(N)(=O)=O)cc2C#N)cc1 742425494 MNUNMSFIPKOHLY-UHFFFAOYSA-N 403.460 1.802 30 10 HDEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N 747614961 VLSPJJFOMANWNP-UHFFFAOYSA-N 415.471 1.754 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(S(N)(=O)=O)cc(C)c1C)c1ccc(C#N)cc1 751836439 ANAPTSQUSWNCKD-KRWDZBQOSA-N 402.428 1.894 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 767318714 GQXPIJFMHQYQBZ-RBUKOAKNSA-N 420.531 1.976 30 10 HDEE COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 771158115 IKPMNNPZRLGOMY-JOCHJYFZSA-N 404.426 1.577 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1)c1cc[nH]n1 772232720 ZAKKLSFUFPIQTL-ZIAGYGMSSA-N 410.496 1.207 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1C(=O)c1ccccc1 772450868 BHLMCKYINBBYLV-KRWDZBQOSA-N 417.508 1.729 30 10 HDEE COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1C#N 779535699 DEPHXNHFNRQRGS-IFXJQAMLSA-N 417.487 1.219 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 805779800 DEGLQHYQXXVTOY-LJQANCHMSA-N 409.490 1.883 30 10 HDEE C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1(S(C)(=O)=O)CC1 807110886 ZPFANJPVKDCQAL-RWMBFGLXSA-N 400.501 1.010 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1 820173512 BHSBAWRQZBVETL-OAHLLOKOSA-N 419.459 1.240 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nc1 858059318 LZOBZHLUXAFFCZ-WBVHZDCISA-N 414.487 1.608 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 918331071 IUMOUQLQGFPTLZ-UHFFFAOYSA-N 422.466 1.455 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 918642999 HLDMRHUZRPPJHE-UKRRQHHQSA-N 407.492 1.161 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 921305777 BOMGSDOLARMYEQ-UHFFFAOYSA-N 408.543 1.470 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2)c(F)c1 1124723779 BYMKPGZYRRTLAR-UHFFFAOYSA-N 423.452 1.984 30 10 HDEE Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1134055975 IUAYALNAGAQLMA-JXFKEZNVSA-N 404.488 1.961 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)N2CCCC[C@H]2C)s1 1136652855 FNAIWZPTCOHPGT-ZIAGYGMSSA-N 413.565 1.661 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@@H](O)c2ccccc2F)c1 1137410626 FREWUFCAOOIGSQ-MOPGFXCFSA-N 404.463 1.979 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 1147290947 BNFKQFIBEQXZDW-UHFFFAOYSA-N 404.517 1.079 30 10 HDEE C#CCN1CCN(C(=O)Cn2c(CNC(=O)OC(C)(C)C)nc3ccccc32)CC1 1150693104 IGHXVJIPUFKPMD-UHFFFAOYSA-N 411.506 1.838 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)cn1 1153823566 XCLMAHHWNCZOPP-UHFFFAOYSA-N 409.317 1.688 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(O)(c3ncnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1153932096 UKYPEXKNOSRCMT-HXUWFJFHSA-N 419.526 1.971 30 10 HDEE CN1CC[C@](Cc2ccccc2)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1=O 1154223584 KSZJTPOQCLFKGD-HSZRJFAPSA-N 403.486 1.693 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1175854605 UTZSMXBRCSDIDS-LJQANCHMSA-N 404.532 1.605 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 1177338864 OAOZSIGZRXFVAJ-UIBIWLFHSA-N 417.531 1.847 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OCC(F)(F)F)CC1 1196522017 CBWNQRLMQHNWKZ-UHFFFAOYSA-N 420.413 1.245 30 10 HDEE CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)Cc2cccnc21 1197212419 PAMNFWJENOLABM-SFHVURJKSA-N 410.547 1.804 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1 1198691950 NZBVXTGVGPMPBZ-UHFFFAOYSA-N 414.487 1.840 30 10 HDEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H]1CCC[C@H](OC)C1 1277969208 BSKDBCPUAWAVJU-WBQJQJEBSA-N 413.474 1.774 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1286275095 MUJLDLWLMAOFGQ-QYWGDWMGSA-N 403.527 1.691 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286358081 HDXBCLWTJDCRMW-IPMKNSEASA-N 417.554 1.951 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCn1cc(Br)cn1 1286376464 CWKRPZFJIXTQID-UHFFFAOYSA-N 400.284 1.993 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1 1286448208 XUTPTFOFXORYBH-HXUWFJFHSA-N 409.582 1.997 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(C)C 1286465724 RENGGTAZUYCIOY-RTBURBONSA-N 410.522 1.618 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2nc(C)cc2C)CC1 1286478550 BLKYIABJTKNLOX-FQEVSTJZSA-N 411.554 1.831 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnn(C)c2)CC1 1286483629 ROEILVZCEYYTOZ-UHFFFAOYSA-N 419.533 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccsc2)CC1 1286485115 DHCPNUPPJHYOTO-ROUUACIJSA-N 401.536 1.867 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC2CC2)CC1 1286653513 YAARMUGKRJKABK-UHFFFAOYSA-N 409.494 1.854 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286710961 GAJPPHSXRISCDG-MSOLQXFVSA-N 407.515 1.454 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncnn2C(C)(C)C)C1 1286799433 WAHPDXBJJGIADX-OAHLLOKOSA-N 416.530 1.592 30 10 HDEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)cnn1C 1289194882 WDVOQBXLVBSXBB-UHFFFAOYSA-N 409.494 1.894 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)cc1C 1289734918 FJCJASPWILBJGP-HXUWFJFHSA-N 423.456 1.881 30 10 HDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)n[nH]1 1290454618 JZWDKKIFKCCSRC-UHFFFAOYSA-N 421.509 1.837 30 10 HDEE Cc1noc(C)c1CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1290929547 QFZDKJUTBUSXFQ-ZPHPHTNESA-N 411.466 1.923 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCC1 1298781675 FVLCUOBZNQRQDM-UHFFFAOYSA-N 419.507 1.125 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCOCC2)c1 1300334972 XHJXLZFUKOVZOW-UHFFFAOYSA-N 410.522 1.619 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NCC(F)(F)F 1300470933 XTVIELCLWRVAIR-UHFFFAOYSA-N 409.412 1.820 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1300496736 UMGXXTFSGBQJTG-BZSNNMDCSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1CCS(=O)(=O)N1CCSCC1 1300555963 ASVIONKUGPOXFC-KRWDZBQOSA-N 423.608 1.633 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1300654038 RLHALSJPSNJDSL-FQEVSTJZSA-N 407.584 1.695 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1300725823 DSFOATRGDGNGIN-LAUBAEHRSA-N 401.511 1.144 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2Cc2occc2C)CC1 1300728834 GRVCVLMTUGESNG-UHFFFAOYSA-N 424.505 1.316 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1NC(=O)C[C@]12CCCC[C@H]2C 1300780137 GYKJKUJPUGCZAY-TYILLQQXSA-N 404.492 1.437 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)CC1 1301066999 VPFZLSIMWZTBPZ-HZPDHXFCSA-N 409.556 1.861 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)CN1CCOCC1 1301305472 YZAVQCAENPNQDA-INIZCTEOSA-N 418.567 1.860 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)C1 1301543236 JMHIUBUNGVJFIT-MBOZVWFJSA-N 408.499 1.127 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)C1 1301543594 NAPRWHGHCSCWGR-LAUBAEHRSA-N 421.542 1.625 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 1301815332 RAVYAPUQUFGGEX-SNVBAGLBSA-N 409.327 1.334 30 10 HDEE COCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1302220124 KDRVLMBXHHCGLO-MRXNPFEDSA-N 402.411 1.245 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1303003062 BPGUGLOQRVJIIE-XJKSGUPXSA-N 400.414 1.289 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1303025710 GIAKDFHAERQIGZ-UHFFFAOYSA-N 414.462 1.254 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)C2 1304490762 KPXJMKJPSCPOSJ-UHFFFAOYSA-N 408.480 1.594 30 10 HDEE C[C@H]1CSCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1305239340 UUSLKBKOZOFMQJ-QWHCGFSZSA-N 407.521 1.635 30 10 HDEE C#CCN(C(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12)[C@H]1CCS(=O)(=O)C1 1311135522 JNJHFMSVHDDUMU-ZDUSSCGKSA-N 403.460 1.999 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CCC(=O)N2)c1 1316528649 GNCQSSXDYQCRQR-QGZVFWFLSA-N 407.478 1.187 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(O)CC2)CC1 1316534550 GHVLDSLPYIZTOF-GOSISDBHSA-N 402.543 1.759 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1316536107 BZJFSHKIUJIOKW-QGZVFWFLSA-N 417.539 1.597 30 10 HDEE COC[C@@H](C#N)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1346310187 AKWHAMTYZFTJDK-UONOGXRCSA-N 418.475 1.672 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCN2C(=O)OCC)cc1 1354103721 CXBKVWMSOCNJHZ-HNNXBMFYSA-N 413.521 1.963 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358993627 SIVGEMUYYJNTMK-ZWKOTPCHSA-N 419.551 1.264 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1359013203 OVDZKRRKVTWLLH-UHFFFAOYSA-N 404.478 1.693 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(NC(C)=O)c2)CC1 1359034484 RZCIKQYKNZCDOZ-UHFFFAOYSA-N 418.505 1.441 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1359121864 LWUVGSXXXFDWNP-KBPBESRZSA-N 419.498 1.669 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359123847 SEUACJMGLPJBMT-UHFFFAOYSA-N 403.531 1.560 30 10 HDEE CC(C)Cc1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359869682 DIWNFFXUTAUNRH-HNENSFHCSA-N 414.510 1.762 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1360469533 DHDUHEHPZNWTSQ-AWEZNQCLSA-N 420.539 1.705 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)c1 1438001779 PLVJGHGAHZRJMG-ARJAWSKDSA-N 409.471 1.931 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCNC(=O)c1cccnc1 1441402928 JIEGPDCBFQJVOL-INIZCTEOSA-N 403.483 1.905 30 10 HDEE C#CCN(C(=O)/C=C/[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1442020410 VYLVSKCBOJXLEY-IBHATUTGSA-N 410.536 1.839 30 10 HDEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1443362663 MLZUPMIROYIFBB-HZPDHXFCSA-N 402.813 1.834 30 10 HDEE NC(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 1445488269 YGEUTILXXKDDED-IBWPDUFMSA-N 411.433 1.127 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1cccc(F)c1 1450306423 APNXXYLUCNQAQL-GUYCJALGSA-N 405.451 1.084 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@H](C)O1 1452797146 HEYBYNJPYIFDBM-RBOXIYTFSA-N 405.838 1.353 30 10 HDEE COc1ccc(-c2nc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1457197282 FHFWPQHKCUJGAC-UHFFFAOYSA-N 409.427 1.650 30 10 HDEE CSc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1C#N 1457994998 MWIABXXFUSYVLR-UHFFFAOYSA-N 400.485 1.747 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@]3(C(=O)OC)CCOC3)ccc2c1=O 1458044167 GDYXXOWGTOVXTP-LJQANCHMSA-N 403.460 1.181 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461661505 HQKBRBPIEBLIHU-ORAYPTAESA-N 405.838 1.355 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)s1 1466483802 UHTGBNFPWZSQND-GUYCJALGSA-N 400.522 1.209 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)CCCC(C)(C)C2)c1 1470234314 NAYWAKSLSWOSMW-HXUWFJFHSA-N 406.504 1.840 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCOCC3)CC[C@@H]2CO)cc1 1471986702 HNNLNBYBAYKBCP-QGZVFWFLSA-N 421.519 1.272 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H](Cc3cnc[nH]3)NC(=O)C3CCCCC3)CC2)C1 1472151702 YUOROIYKJNUGNW-IBGZPJMESA-N 414.506 1.882 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNc2ncc(C#N)cc2[N+](=O)[O-])CC1 1472692218 OMPLOGHAWQTBDS-UHFFFAOYSA-N 416.463 1.410 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1478320968 VEGHGLHNFLWLRT-OAHLLOKOSA-N 413.540 1.608 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1505315837 SZEMGNOXTHRVFB-CRAIPNDOSA-N 411.503 1.439 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1505317137 OIIWGYIAQZLMAT-GOSISDBHSA-N 410.478 1.339 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1507593674 SVOYKOUHICBWLD-SFHVURJKSA-N 411.510 1.224 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCN1CCOCC1 1507605871 WGYHNKMWIZERBG-UHFFFAOYSA-N 410.522 1.939 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN(C)CC(F)(F)F)CC1 1507724630 IOOHVVHXMNGAJP-UHFFFAOYSA-N 421.471 1.980 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)N(C)C)CC1 1507750433 VCEDSRIDEMSHJM-UHFFFAOYSA-N 415.567 1.740 30 10 HDEE C=C(Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccccc1 1507851601 UAVXKJNWTXNCQU-UHFFFAOYSA-N 422.533 1.825 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507982759 MEENKAVRMFOIPH-CQSZACIVSA-N 410.569 1.538 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(Cl)ccn1 1508070564 ADCPEVPTMRHPLV-UHFFFAOYSA-N 405.890 1.403 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1508089197 IZPIMZRNYOKGTP-HKUYNNGSSA-N 416.570 1.785 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@@H]2OC)C1 1508131944 PIZZMSXKNKKDQE-KURKYZTESA-N 419.526 1.233 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCNC(=O)C1 1508133051 CKLIWSWTXNVKTC-UHFFFAOYSA-N 403.508 1.045 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(C)C)C1 1508139729 DGNDBTPTEXTSNG-IRXDYDNUSA-N 412.556 1.634 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508159377 NDYOZDQDUQBNGI-ACJLOTCBSA-N 406.512 1.179 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1510079046 DKJHMEPHYZQHBN-OXJNMPFZSA-N 421.505 1.940 30 10 HDEE C[C@](O)(Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510233771 GSKOAUIGJZXKJK-UGKGYDQZSA-N 404.474 1.900 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)C1 1521062967 LODQPXHPTFGVHL-SQGPQFPESA-N 406.506 1.461 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CCCC3)n1CCOCCCO)C2 1521083225 VWCJTLALLNPMHP-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)s1 1529399059 SDMYCGXPDAEKPZ-INIZCTEOSA-N 420.472 1.997 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CN1CCC[C@@H](C(=O)OC)C1=O 1531613163 YGVWARLNOGHCPD-OAHLLOKOSA-N 419.430 1.527 30 10 HDEE Cn1cc(I)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)n1 1538588990 KMDFZVGELUGIES-UHFFFAOYSA-N 401.204 1.503 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539215515 DRLXNQITOIQGAZ-QGZVFWFLSA-N 410.503 1.652 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1539444166 HUZPZYLFZZAUON-UHFFFAOYSA-N 424.530 1.480 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCCC1 1539538345 GDGTWANHLXOBCV-MAUKXSAKSA-N 409.556 1.840 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539744021 XNRJDLZMOQAIOW-UHFFFAOYSA-N 415.542 1.087 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(C2CCCC2)CC1 1540871086 DFDKPSZBXRDKTR-QGZVFWFLSA-N 402.543 1.539 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3C)n2CCNS(C)(=O)=O)C1 1540894056 PPNSTVAOWNEQJQ-GOSISDBHSA-N 419.551 1.508 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 1542757854 XYEYMFAGUYZMNW-UHFFFAOYSA-N 415.519 1.604 30 10 HDEE CC(C)(C)c1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)co1 1543122376 SRYCBGGEEKYWGF-UHFFFAOYSA-N 402.476 1.990 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCCC1 1555670651 VSLLRPGAAXFUSL-ZWKOTPCHSA-N 406.531 1.607 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)s1 1556220879 RVTUTXWRCOLZNJ-CQSZACIVSA-N 415.581 1.059 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N[C@H](C#N)CO)ccc1Br 1556608087 ZGEPMQWFUXVDFM-SNVBAGLBSA-N 404.286 1.140 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@](C)(C(F)F)O1 1557564064 ICOOJZKIXIUHMB-PSTGCABASA-N 401.435 1.496 30 10 HDEE COc1ccc(-n2c(C)cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2C)cc1 1557601113 QEYQUFUJUGPJTN-UHFFFAOYSA-N 407.430 1.667 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Br)c2C)CC1 1558072778 CPZMKTZLFHFJKE-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3nc(C4CC4)nc(O)c3C2)c1 1558190014 UFSSYSZKBSMPGT-UHFFFAOYSA-N 400.460 1.680 30 10 HDEE N#Cc1c(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)[nH]c2ccccc12 1565917564 MBESECUSYXEWLN-UHFFFAOYSA-N 423.517 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)CNc1ccc(C#N)cn1 1569780646 IAVBSAMDGYUCRA-UHFFFAOYSA-N 414.466 1.398 30 10 HDEE N#CCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1570553345 MBRWAEDKGLTLTC-KKEPMVJESA-N 400.523 1.000 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1570694675 GJMJONDAXWUSDI-ROUUACIJSA-N 408.817 1.123 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CC1)[C@H]1CCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1583184498 LAFVBHVVSLOGIG-VVFCZOMOSA-N 405.520 1.968 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1583811751 KNUZSYAJWRRMSF-IBGZPJMESA-N 417.487 1.289 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)NC3(c4ccc(C#N)cc4)CCC3)CC2=O)cn1 1584880608 YSKJKQPNXWWLQJ-KRWDZBQOSA-N 407.474 1.950 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1587668403 YWOMSGCASJXHMX-INIZCTEOSA-N 420.477 1.361 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccco1)N(C)C 1588246027 ZHLMTIZNZROZEW-SFHVURJKSA-N 408.506 1.759 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC[S@](=O)CC 1588251451 PDVVZOWFEJECNK-MUUNZHRXSA-N 417.560 1.501 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN(C(C)=O)C1 1588637661 IUSWLIVDIZEXKS-RBUKOAKNSA-N 403.527 1.864 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1588976223 STFRXSIMJDIHMX-FQEVSTJZSA-N 421.567 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOCC1 1595476211 JFCDHCRYJUHGJO-INIZCTEOSA-N 415.494 1.956 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC(C)(C)[C@@H]1C 1595607135 ARIKBFKXDUPTEX-ZOBUZTSGSA-N 407.515 1.308 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)(C(N)=O)C1 1595773311 XGJXLKPHQWFBIA-SFHVURJKSA-N 407.496 1.149 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)[C@H](CO)C1 1603666423 YVPGFNGKBNYQAI-FUHWJXTLSA-N 418.469 1.479 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1C 1611286090 DFZYCWABKAMENA-SNVBAGLBSA-N 404.276 1.951 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1617594814 FHJOPRZQQQTJNG-INIZCTEOSA-N 409.494 1.387 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1617607172 VCPDCFWBRPKYLP-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE O=C(NCC#CCO)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1617900874 MNCNAOLIRKGDJU-UHFFFAOYSA-N 416.455 1.374 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1620346979 LEQBBCGVZAOALW-IIDMSEBBSA-N 411.503 1.439 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)C1 1620666837 DBWXUPWTMQZBQO-IBGZPJMESA-N 416.522 1.535 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1623669992 ZPZWNWOZVOSQKK-KRWDZBQOSA-N 423.477 1.817 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1=O 1625688720 ICVMHXBGWPNZRS-QGZVFWFLSA-N 411.462 1.122 30 10 HDEE Cn1ccnc1[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1626286033 CTIWGDLRZAOBRP-IRXDYDNUSA-N 402.476 1.243 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1627628249 QXURTZOWLZQVQJ-UHFFFAOYSA-N 418.479 1.050 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)n[nH]2)c1C 1634126842 HYQXYNWYGYGKTD-OAHLLOKOSA-N 408.466 1.345 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)CC1 1635159771 CSTCEWFQGLBLMD-SFHVURJKSA-N 412.490 1.668 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)[C@H]1CCOC1 1637561121 HWDOCQZVPFTFGH-YTQUADARSA-N 415.490 1.906 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCC(=O)OC(C)(C)C)s1 1638899913 CHIIYGQVHHDNKG-UHFFFAOYSA-N 402.538 1.993 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cs1 1639385535 QSGMCTITIRUSGI-HNNXBMFYSA-N 407.517 1.903 30 10 HDEE C=CCC[C@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1640868673 RKFRDJJVSYLJFK-GJZGRUSLSA-N 411.499 1.468 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1=O 1640995899 VJOPNCBYAYKSEW-WOJBJXKFSA-N 409.534 1.992 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 1641018573 MZLGXLPFHVYCEY-HNNXBMFYSA-N 407.536 1.905 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 1642527016 CFBQKUNPSNRPKY-VQTJNVASSA-N 405.458 1.932 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 1645688829 QZHQTZPAUAZXGG-HRAATJIYSA-N 410.478 1.888 30 10 HDEE N#Cc1cc(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cnc1C(F)(F)F 1649086301 JJDBBWUKWQJBRD-UHFFFAOYSA-N 417.347 1.954 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)C1 1651802004 PWJVRMJGKISUQO-OAHLLOKOSA-N 411.506 1.858 30 10 HDEE CCCS(=O)(=O)NC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1652280798 GROMFJIRBPYBRN-UHFFFAOYSA-N 403.504 1.080 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)[C@@H]3CCCCN3C(=O)c3ccc(O)nn3)CCO2)cc1 1652920070 UPYUBQGWSPMMEB-RBUKOAKNSA-N 421.457 1.649 30 10 HDEE CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1653073445 ZMRVKWFEONOBNX-ZOCIIQOWSA-N 411.524 1.420 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCn4c(COC)nnc4C3)ccc2c1=O 1654706795 UXSWOOPDWGPCEN-UHFFFAOYSA-N 412.475 1.265 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCC[C@H]1C#N 1655297449 XOVKSRPSASJOSI-YOEHRIQHSA-N 403.508 1.720 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1662443679 FXIRNGKFABHCHW-GFCCVEGCSA-N 416.293 1.957 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1Br 1664378405 BUDPWCNPGFUZJK-ZWNOBZJWSA-N 404.286 1.732 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 1664414319 LQBUVRLMZIPKOQ-UHFFFAOYSA-N 403.508 1.112 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OC 1669658313 XEQKWRZUBBQESK-LLVKDONJSA-N 404.238 1.079 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)Nc3ccc(Br)c(C#N)n3)C2=O)cn1 1673540631 GPGMPYUKLWXPNF-NSHDSACASA-N 404.228 1.376 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2ccccc21 1679943798 BTFJKLGMYZVWPJ-XHSDSOJGSA-N 413.478 1.632 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@@H](C)O1 1682315938 AOYHSHUSKCPPIO-TWMKSMIVSA-N 401.515 1.066 30 10 HDEE C#C[C@H](C)NC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682344941 PJWSMRZUBKJIGT-BHYGNILZSA-N 419.526 1.585 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)nc1 1683846906 MQPKGSKTJDSAMC-ZDUSSCGKSA-N 419.429 1.516 30 10 HDEE C#CCOc1ccc(CNC(=O)NC2CN(c3ccc(C(=O)OCC)cn3)C2)cc1 1686086024 JAAMYNWVGHPBCW-UHFFFAOYSA-N 408.458 1.958 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(=O)Nc1c(C)cccc1C 1689998370 KLPNMONOWQLICT-UHFFFAOYSA-N 406.490 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ncn(C)n1 1690042883 HDVPUDPANWGAOP-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN1CCCO 1690052877 SWNQMUIIQGVZQS-NRFANRHFSA-N 423.565 1.449 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1690535489 AONHTNISMKSNMZ-GJZGRUSLSA-N 400.545 1.838 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690674408 ZPJBEFHQIMOMTF-QZTJIDSGSA-N 403.527 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CCCO)CC1 1690722334 FYFIUKCXHFHUEF-UHFFFAOYSA-N 407.540 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)CC1 1690724951 ZGIHMRHPUNCYPA-OAHLLOKOSA-N 416.569 1.017 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1692665661 YDWHLFWSXADJBM-LIRRHRJNSA-N 418.523 1.813 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705532335 LZARGVISLMGZAQ-MSOLQXFVSA-N 421.567 1.590 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1705556205 CPNWADBPZCKUCB-UHFFFAOYSA-N 405.524 1.033 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC1(C)C 1705621865 QPKCBKDFSGPSQM-CVEARBPZSA-N 411.572 1.801 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1705628342 DFUQZCYXQJEMAK-CQSZACIVSA-N 400.570 1.408 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(OC)CCOC2)CC1 1705640791 GPPNSHGQPCNJOD-JOCHJYFZSA-N 413.497 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](CC(C)C)NC(=O)OCC)CC1 1705645445 UQJLINPWCJWQMU-GOSISDBHSA-N 418.542 1.713 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705830825 BPFLBXUJGHWTMK-MSOLQXFVSA-N 412.494 1.791 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](COC)C1 1705907189 DAECGNWDGWPUGM-GOSISDBHSA-N 415.542 1.695 30 10 HDEE C=CCSCCn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1705940653 LFKXJGFHYIOKMC-VQIMIIECSA-N 406.600 1.885 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CCO1 1711362807 GEJPGQSKYYNFRH-WBVHZDCISA-N 412.519 1.521 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1722281675 JFHSVKZRADTFAU-AWEZNQCLSA-N 423.477 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC(=O)NC1CC1 1722378017 KPQVNKANKDAZJT-UHFFFAOYSA-N 405.458 1.805 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@H](C)C1 1722429308 PNHVYBXNNYPYAO-KZNAEPCWSA-N 424.567 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C)COC2)CC1 1722433660 DKPWGSYHQIIOAE-UHFFFAOYSA-N 411.506 1.754 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)N(C)C)CC1 1722442453 XIBDFLQCXVRHKI-UHFFFAOYSA-N 414.485 1.230 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1722463146 VBSCZVMRPHCPQB-NRFANRHFSA-N 423.546 1.585 30 10 HDEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722606003 AROMZGDKQYLHKW-LJQANCHMSA-N 422.533 1.567 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1CCCCO1 1722640906 URFXTPIGUNLLKQ-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722686440 YQPVKNOPVPTPJD-MSOLQXFVSA-N 402.543 1.839 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOCC2(CC2)C1 1722692194 HRVXOEYWYKYJQS-UHFFFAOYSA-N 404.515 1.116 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCn2nc(C)nc2C1 1722695659 LOAVGWYRYGGPFG-UHFFFAOYSA-N 406.494 1.730 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722703238 XUZGUIJZOZXGMJ-DWRORGKVSA-N 420.558 1.223 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740555075 ZZVSBDNCWAOODN-MAUKXSAKSA-N 424.505 1.241 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CC(=O)N1CCOCC1 1740557715 NDCBXRAFJLXZLO-SFHVURJKSA-N 411.506 1.791 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740781186 QXMXNSQHJFILHP-UHFFFAOYSA-N 404.482 1.551 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)N(C)C)CC1 1740820317 YJZJSYUBBQLSGW-UHFFFAOYSA-N 417.535 1.983 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740839602 LTAKYYGBVYMZDL-QZTJIDSGSA-N 423.583 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1740990280 OQSGWRMHOPRUAK-UHFFFAOYSA-N 423.502 1.844 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@@H]1CCOC1 1740992759 NCXNPBAFTLYOCG-OAHLLOKOSA-N 411.553 1.460 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1745787025 BPQVNAHANFPOQZ-SFHVURJKSA-N 423.477 1.374 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1747220480 NFLWXFHLPFRCHX-RDJZCZTQSA-N 416.457 1.027 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1748075692 BVVIHKGJCVEZHZ-AWEZNQCLSA-N 409.494 1.256 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749391878 UQJGCIJDHGTRTK-HZPDHXFCSA-N 424.571 1.446 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749408972 OYZXFZIMBAOFBG-SFHVURJKSA-N 413.526 1.891 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1749709957 UUZPONQHJBGXRX-HOTGVXAUSA-N 415.498 1.107 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCSC[C@@H]1C 1749735293 RCQVZFUWWBXRAV-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1 1750103111 ZVDMRMGFBGKADN-XJKCOSOUSA-N 407.496 1.900 30 10 HDEE Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1751524044 HCBRMVBPUQZIJN-UHFFFAOYSA-N 423.521 1.586 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760143373 DLHNUXLPXMFLFD-UHFFFAOYSA-N 422.537 1.661 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760180325 CCXBZHVYEWXVKJ-PXNSSMCTSA-N 422.551 1.355 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1760185508 YMCPODDLVRDEBQ-GOSISDBHSA-N 413.503 1.480 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760190929 WWIPGGPNKXGQMG-WMZOPIPTSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)CC 1760216074 ZKYBTMIBWVKSOK-UHFFFAOYSA-N 403.483 1.486 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760282145 WOEIUAVFKYGVHJ-SFHVURJKSA-N 423.546 1.742 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1760322104 OBOYJSFPLWRNGN-MLHJIOFPSA-N 424.567 1.777 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@H]1CO 1760692907 FFZZQLHEDXTDMY-IKGGRYGDSA-N 403.531 1.062 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1761360544 OPRQQMLCWVSULI-JNFKXCBWSA-N 404.496 1.655 30 10 HDEE C[C@@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1761401757 RFUCNZLWTNMVLX-KRWDZBQOSA-N 417.521 1.883 30 10 HDEE C[C@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1762934984 DKNBTCWHEIYVIR-CVTQAYBASA-N 407.478 1.779 30 10 HDEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1771499919 NIZMXSAETVMOLS-RBSFLKMASA-N 406.487 1.772 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@H](CC(N)=O)C2)o1 1771533168 BJBFXQJKCPIMAJ-OAHLLOKOSA-N 405.462 1.869 30 10 HDEE CS(=O)(=O)N1CCCc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)ccc21 1772789377 UJCBORIEFPKKSD-UHFFFAOYSA-N 400.412 1.767 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1848720291 XPIGSZLKWARHGE-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE Cc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C#N)C2)cc1 1850779727 MWRDLWZBCSREPO-KRWDZBQOSA-N 415.471 1.817 30 10 HDEE CN1C(=O)CC[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@@H]1c1ccccc1 1851339844 FUNRBQIPFAEYDP-ICSRJNTNSA-N 404.474 1.607 30 10 HDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)c1cc2n(n1)CCC2 1852160321 LWAKVAUKJBXUQT-UHFFFAOYSA-N 406.899 1.790 30 10 HDEE N#CC1(CNC(=O)[C@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)CCOCC1 1853043148 ZKWABUYUPPYXLB-SFHVURJKSA-N 411.568 1.492 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 1853058671 UAZYISDBPNROIM-UHFFFAOYSA-N 402.458 1.976 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CCC3=O)cc2n1C 1853686800 AARCJOCNZAIZAU-MRXNPFEDSA-N 409.490 1.491 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCCC(C)=O)C3(CCCCC3)C2=O)CC1=O 1853915878 DTZOVZKHYWHGDY-SFHVURJKSA-N 403.523 1.764 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1c(F)cccc1F 1854591974 OCSBFQRNOYBFQO-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cn2nnc3ccccc32)CCN1Cc1ccc(C#N)cc1F 1855004337 GPAVICVORZTONL-CQSZACIVSA-N 406.421 1.702 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CC[C@@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1855107165 BIORGTISHVFCHS-UWJYYQICSA-N 400.454 1.500 30 10 HDEE COc1ccccc1-c1noc(C2CN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C2)n1 1855699437 CSYNSIGWRARIOT-CQSZACIVSA-N 409.446 1.823 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(C(=O)Cc3cncnc3)C2)CC1 1855853354 VTFAREANAFLKPX-IBGZPJMESA-N 403.486 1.952 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2cn3ccsc3n2)CCN1CCOc1ccc(C#N)cc1 1855866396 PKDMXEHZVQIZKC-HNNXBMFYSA-N 423.498 1.948 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@H]1CCN(C)C1=O 1857261254 CMUHHQCOGVYQMI-WBVHZDCISA-N 400.479 1.188 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860959287 BIJYWXSUYFEVGS-MRXNPFEDSA-N 421.457 1.602 30 10 HDEE COc1ccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCCNC=O)C2=O)cc1 1863329846 MGVZAEJMHMWKQN-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(O)cc1O 1874435308 YMMRZRPYISETFX-IFRROFPPSA-N 421.479 1.499 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890872586 WFOZPLVQYVSUTB-IEBWSBKVSA-N 421.538 1.782 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 1903629098 JNBPICDLCPKKPY-LBPRGKRZSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](N=c2[nH]c(Cl)c(C#N)s2)[C@H](S(C)(=O)=O)C1 2072516893 GYEWNCJCAXNRKR-PSASIEDQSA-N 406.917 1.534 30 10 HDEE C#CCn1ncc(Cl)c(NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)c1=O 2106116367 HBIHJTVYBCAOGW-INIZCTEOSA-N 416.865 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccsc2C(=O)O)[C@H](C#N)C1 2106309937 SLGHYOSBZLJKGB-SNVBAGLBSA-N 401.466 1.580 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2141610940 XGLDOGLOHOVYRK-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)CC2(C#N)CCCC2)C1 2172890937 CQTPDHQOZKVLBB-LSDHHAIUSA-N 401.529 1.608 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1 2174781246 DCZJWAARDDMEKR-HOTGVXAUSA-N 403.545 1.806 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)N(C)C(=O)OC(C)(C)C 2243387506 VPBSLVUAQSSVSQ-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243405356 FEBFFELLOUDMIS-UHFFFAOYSA-N 409.292 1.890 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243710064 CVGDKAUYHHXPGB-ZDUSSCGKSA-N 411.308 1.449 30 10 HDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247779443 TZZGKDLJTZKIGY-UHFFFAOYSA-N 424.303 1.850 30 10 HDEE Cn1ncc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247781267 JIBBDLSBTCUVDV-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C[C@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2247803570 FKLCXMZVEVNQEP-OZJRSANCSA-N 420.315 1.952 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247921815 WAHCNZNDYGPGHX-ZIAGYGMSSA-N 418.303 1.561 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167052 DMTDOQITRRMJQU-BHYGNILZSA-N 408.476 1.176 30 10 HDEE CN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C1CS(=O)(=O)C1 2267110099 ZBVVXENUVYEPOJ-UHFFFAOYSA-N 405.734 1.570 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282063556 NJHXSLOBEGZGLD-RPHGYIDUSA-N 400.375 1.965 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CCCN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282309265 CDMFZGCOVLYNON-UHFFFAOYSA-N 402.391 1.928 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(=O)NC(C)C 2282317167 NGOHZSRFMFNEMV-UHFFFAOYSA-N 402.347 1.159 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCNC3CC3)c(Cl)c2)OC1(C)C 2282492685 SGZZAYTWKISUOZ-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE COc1nnc(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)s1 2282506490 STLBSPCJFQBFKU-UHFFFAOYSA-N 417.343 1.849 30 10 HDEE Cc1nc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282519112 IXNUWGJBPASFPZ-MRXNPFEDSA-N 400.331 1.058 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)[C@@H](O)[C@H]3CF)c2Cl)OC1(C)C 2282662787 GDUYTEQJYUMHLQ-SCVCMEIPSA-N 405.684 1.216 30 10 HDEE Cc1cc(S(=O)(=O)NCC2CC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282831942 GXRVGMSZECEODG-UHFFFAOYSA-N 423.340 1.726 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)C[C@@H](C)N)sc1B1OC(C)(C)C(C)(C)O1 2282839130 ZEIHMFHKEOEBJR-NDHGSNPTSA-N 422.403 1.489 30 10 HDEE C[C@H]1CCNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282843957 VLDFDFHEOOAAQP-JQWIXIFHSA-N 420.793 1.977 30 10 HDEE CNC[C@H](C)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282865958 BBUGJYGPBYUHGW-NSHDSACASA-N 402.391 1.798 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C 2282876266 ARUSZWHXJOVVEF-BETUJISGSA-N 400.375 1.760 30 10 HDEE CCN([C@H](C)CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407367 KXDHNWKORNDMJT-LLVKDONJSA-N 403.331 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](NCC#CBr)(C(=O)O)C[C@@H]21 2306582038 LBCBKSHTXLIXRD-OZVIIMIRSA-N 403.273 1.554 30 10 HDEE COc1ccccc1C=Nn1c(SCCO)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329055957 DZBXXJXJSPKNJA-OAHLLOKOSA-N 403.508 1.978 30 10 HDEE C#Cc1cnn(C2CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C2)c1 2339427173 UWDCTOFTKCFBKQ-UHFFFAOYSA-N 412.471 1.127 30 10 HDEE CC(C)(C#CC1(OCCC(=O)O)CN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2339696279 BTOYTYRZCBPYSL-UHFFFAOYSA-N 423.487 1.696 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2367825232 OWRBVMILNZMFDZ-IFXJQAMLSA-N 400.541 1.306 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375226353 JHNFOGRYIPWRQL-KBXCAEBGSA-N 402.513 1.113 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1cccc(C)c1 16893839 FPZTVYLNRULURZ-OAHLLOKOSA-N 403.464 1.371 30 10 HDEE COc1cc(C=N/N=C2/C(=O)Nc3ccccc32)ccc1OCC(=O)N1CCOCC1 254733203 RTIUAGQYHVXYQW-UHFFFAOYSA-N 422.441 1.708 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2cccnc2)C1 256032868 JGBUEIHLQAROJJ-RBSFLKMASA-N 422.445 1.580 30 10 HDEE CCN(CCC#N)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 409488392 XLYWZSJTHLLYTN-UHFFFAOYSA-N 414.553 1.182 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 409508321 LXHXRRYYOXEPSC-INIZCTEOSA-N 404.496 1.715 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438081667 ZYEOBDJZVZLPCC-PKOBYXMFSA-N 418.519 1.555 30 10 HDEE N#CC1CCC(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 443400502 WITZYSVWXGKAJA-UHFFFAOYSA-N 407.492 1.572 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 478048228 QOCDQOAOLSMUBL-SFHVURJKSA-N 405.520 1.435 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)OCC)c1 479037189 XORZKEDNZPJWKY-JKSUJKDBSA-N 410.492 1.334 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 482147181 CLCYDILTLHRPOX-WBVHZDCISA-N 418.519 1.086 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2cccc(C#N)c2)C1 503981794 OHDVDCGXEIRVNO-KRWDZBQOSA-N 402.476 1.880 30 10 HDEE N#Cc1cccnc1N1CCN(Cc2ccc(S(=O)(=O)N3CCCC3)o2)CC1 506937490 AYOPSJXXHMXJPP-UHFFFAOYSA-N 401.492 1.653 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507761092 UXXPHZKKSYQZFK-LAUBAEHRSA-N 409.534 1.728 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 508481500 RQAQNEZDJMGJCK-QGZVFWFLSA-N 412.450 1.867 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[S@@](=O)C(CC)(CC)C1 509000739 UUCWWZLJNJBOME-ZJWNCGCPSA-N 403.574 1.202 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(OC)c1 511073674 QFWPOYWIFZQKAD-ZWKOTPCHSA-N 412.552 1.519 30 10 HDEE C[C@H](C(=O)NCCOc1ccc(I)cc1)n1cnc(C#N)n1 511138442 IIEHUPFXGPLJRV-SNVBAGLBSA-N 411.203 1.511 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccn2)c2ccccc2OC)CC1 534843697 QBFHMHBAPBQCEN-JOCHJYFZSA-N 423.517 1.809 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccc(CN4CCOCC4)cc3)CC2)n1 546210697 YLEASCQMPPTOGO-UHFFFAOYSA-N 420.517 1.546 30 10 HDEE C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546917965 BUQDNONRESLYAM-AEFFLSMTSA-N 407.474 1.420 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 549691228 ZLUQWIXIJIXNTL-GOSISDBHSA-N 415.469 1.930 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(OC(F)F)c1 551785893 TXUJIWCYXSKKQK-LLVKDONJSA-N 410.402 1.538 30 10 HDEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 563573396 NHSNWGYZJODNPK-UHFFFAOYSA-N 421.571 1.606 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 567101041 MVJVZTIXGJICON-INIZCTEOSA-N 401.444 1.511 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 578820984 WRZUDMAEJMSUFR-GOSISDBHSA-N 417.535 1.966 30 10 HDEE C#CCN(c1ccc2c(c1)N(C)C(=O)CO2)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586230572 CAPKBLPRKRHCGE-UHFFFAOYSA-N 401.400 1.779 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ncnc4ccsc34)CC2)c(F)c1 586864113 LBBQBHZERPZLCK-UHFFFAOYSA-N 424.461 1.667 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)c2ccc(C#N)cc2F)c1 608798680 AWQUGCCBXWRVBY-UHFFFAOYSA-N 420.466 1.553 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105792 MDEAGIBXIKAIEK-BTYIYWSLSA-N 410.478 1.103 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3cccs3)c2=O)cn1 727815085 WGAWIXHGHDFPPJ-UHFFFAOYSA-N 424.551 1.820 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2noc(Cc3ccccc3)n2)cc1 731691056 NKOMXBGNCZTUPJ-UHFFFAOYSA-N 412.427 1.554 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 733895918 ZEJDLAQAHPSZAO-DQRAZIAOSA-N 410.474 1.125 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CC2)C1=O 735225236 HTIUXRBZXUWKNS-INIZCTEOSA-N 404.492 1.577 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 757599179 XXUACZSNPSPAFM-GDBMZVCRSA-N 407.492 1.969 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(Cl)cc1 760832615 FBJSGOJVBGCJJF-QITAFNTKSA-N 417.897 1.911 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCO[C@H](c3ccc(F)c(C)c3)C2)c1=O 763330245 BDENEBBGHTUDCW-SFHVURJKSA-N 416.453 1.022 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)O)cc1 767162657 YDPGNXMPYJBRLU-INIZCTEOSA-N 418.446 1.411 30 10 HDEE C=CC(=O)NCCC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 767427431 ZZKANOAJBKIMRA-MRXNPFEDSA-N 405.296 1.850 30 10 HDEE N#CCN1CCC(OC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 770783175 LGHHGKSXQRCVKG-UHFFFAOYSA-N 420.263 1.966 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](C#N)CC(C)C)c(NS(=O)(=O)C(F)F)c1 776088330 HPPONVCSALDKLB-JTQLQIEISA-N 411.452 1.876 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 778380701 DIAQJDAAVZVCBG-UHFFFAOYSA-N 415.512 1.674 30 10 HDEE COC(=O)[C@H](NC[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)c1ccc(C#N)cc1 785535568 MNYLOJVTIRZXSQ-OXQOHEQNSA-N 409.490 1.959 30 10 HDEE COc1ccc(CNC(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C#N 798070814 QWDIISJBACFALD-UHFFFAOYSA-N 420.466 1.826 30 10 HDEE Cc1cc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)nn1C 809123716 IYAPBTXMGUWQJJ-UHFFFAOYSA-N 401.217 1.621 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(CC)o1 816294473 YYOYBIZFKSCJAW-ZDUSSCGKSA-N 405.480 1.546 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cc3c(O)ncnc3cn2)c(=O)c1C#N 816410248 SOMJVPBVGWBDCX-UHFFFAOYSA-N 415.207 1.527 30 10 HDEE Cn1ncc(/C(O)=C(/C(=S)N=C2C=CC(=C(N)O)C=C2)n2ccc(=[N+](C)C)cc2)n1 1117067129 AZKRATMQYFHXDB-UHFFFAOYSA-O 424.510 1.155 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 1127142356 XOJIPQMVLHPRGQ-GDBMZVCRSA-N 412.494 1.999 30 10 HDEE C[C@@H](C(=O)N[C@@](C)(C#N)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O 1128704108 VKIOLZQYXHOGQJ-BTDLBPIBSA-N 407.268 1.394 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3C(=O)CSC3=O)C2)C1 1136328579 QUQJEERBXJGXPV-FWHMADFJSA-N 422.507 1.585 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)N(CCC#N)CCN2CCOCC2)C1 1136457949 LIYPLRSRZMHWKT-IRXDYDNUSA-N 412.506 1.656 30 10 HDEE N#Cc1c(F)cc(C(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1F 1136689424 GSXYIPJUPSIJDC-UHFFFAOYSA-N 400.433 1.959 30 10 HDEE N#CCN1CCC(CNC(=O)Cn2nc(Br)c(Br)n2)CC1 1146578745 INZKGYXDTLNBED-UHFFFAOYSA-N 420.109 1.155 30 10 HDEE C=CC1(CC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1159208383 QBGONPBBSKXZPE-AWEZNQCLSA-N 401.529 1.292 30 10 HDEE COCCn1nnc2c1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1159286720 GJUUYFQPHJXRST-OAHLLOKOSA-N 420.514 1.786 30 10 HDEE Cc1ccc(C(=O)NC[C@@]2(OCCO)CCOC2)cc1B1OC(C)(C)C(C)(C)O1 1165988724 ZVZAJQDNKLQEOG-NRFANRHFSA-N 405.300 1.192 30 10 HDEE C[C@H](CC(=O)NC[C@@H](O)Cc1ccccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1177981156 KPRAKIKIFPVUMT-HIFRSBDPSA-N 419.478 1.363 30 10 HDEE CC(C)O[C@]1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOC1 1251193296 ZNUZDALSLDIBAL-FQEVSTJZSA-N 403.483 1.839 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@]2(C)CN(C)C2=O)c1 1286311628 KVJKBBMUTSSDBU-QFIPXVFZSA-N 424.505 1.349 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(OC)c1 1286360046 CIWUADYYYMIYOC-CABCVRRESA-N 421.523 1.434 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286385849 PVFJBXFFEKHLDV-SFHVURJKSA-N 421.611 1.934 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286386887 IYIKEUKUWLRGNS-YLJYHZDGSA-N 417.535 1.374 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCNC(=O)c1cc[nH]n1 1286403115 JVEJYNGMNCEEIZ-UHFFFAOYSA-N 424.468 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)C(C)(C)C 1286420406 PYOGZWQXBXECGB-HOTGVXAUSA-N 409.556 1.412 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(C)C 1286465722 RENGGTAZUYCIOY-OALUTQOASA-N 410.522 1.618 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@H]2CC)CC1 1286470686 BGKDKVWRFGKGBT-OKZBNKHCSA-N 422.599 1.470 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCCC2(C)C)CC1 1286481337 DVWPQLCPTBZKIP-QHCPKHFHSA-N 408.550 1.960 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@H]2CCCO2)CC1 1286485513 OKMKHWWPUVERHW-RTBURBONSA-N 403.527 1.471 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1286705037 NRTMVCSQTYEMJE-UHFFFAOYSA-N 418.498 1.186 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H]1c1nncn1C 1286784903 XSSFETNIUIJZFT-MRXNPFEDSA-N 422.493 1.726 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286786053 WAXKEQOTKLEHSG-MRXNPFEDSA-N 406.494 1.445 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4cncc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 1289436695 PUBUSQJKQSLJQI-SWLSCSKDSA-N 410.293 1.272 30 10 HDEE CCNC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 1291799158 FTWJPTUXDYPTFZ-UHFFFAOYSA-N 400.460 1.533 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 1292419302 HIRMUSRUAMRAGI-IRXDYDNUSA-N 419.323 1.736 30 10 HDEE C#CCCN1CCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1292436958 JHWLFNDAXSQODO-UHFFFAOYSA-N 404.515 1.364 30 10 HDEE CCc1nc(C)c(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)o1 1292697029 VSNHGPDXXZSYAG-MPGHIAIKSA-N 416.482 1.638 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1293215343 DEPIQCOIQVTEJN-SFHVURJKSA-N 404.478 1.818 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCC2CCN(CC#N)CC2)cc1OC 1293421050 VVAVAERSLRFIKS-JOCHJYFZSA-N 416.522 1.493 30 10 HDEE CCOC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1296681938 HUDUSUMWSGGYBH-INIZCTEOSA-N 402.499 1.592 30 10 HDEE Cc1cc(Br)ccc1C(=O)N1CCC[C@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 1298427365 USIVAACHMCYSRC-SWLSCSKDSA-N 424.295 1.716 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300364220 JCTNODVKYLVMOX-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1300459726 VXMZDHDRTWKVQB-HXUWFJFHSA-N 423.565 1.849 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1300465096 KVDZUBRRQZOTIG-INIZCTEOSA-N 416.503 1.264 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1300491880 JKRQUFCJMYRULK-QGZVFWFLSA-N 418.494 1.978 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1300761620 DFNLKOBXASIIMH-BRWVUGGUSA-N 424.592 1.552 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300824826 YAFHBZLDHKAMLF-MRXNPFEDSA-N 411.304 1.041 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1301272142 CBZARDLWMJVYEZ-LBPRGKRZSA-N 414.919 1.638 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1301967957 ICPYTJKMECYFCW-BZUAXINKSA-N 415.519 1.952 30 10 HDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1302319720 CDMOPOVAIOPHER-GDLZYMKVSA-N 414.535 1.690 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1303026147 KKHGEJZZQQXNDM-LJQANCHMSA-N 421.856 1.623 30 10 HDEE CC(C)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1303311311 YVYGMDIRHLRZLJ-ZZEZOPTASA-N 413.526 1.602 30 10 HDEE C[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1303991106 NGZISRCUTZNFKJ-RXVVDRJESA-N 413.478 1.434 30 10 HDEE C=CC[S@@](=O)(=NC(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)c1ccccc1 1304738460 WAPTWKIIXVGVGY-SANMLTNESA-N 406.485 1.799 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@]34CCCC[C@]3(CN(C)C4)C2)cc1 1305905208 HBIJHRLYGZYEIL-SFTDATJTSA-N 401.532 1.546 30 10 HDEE CCc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306152042 GGBCXRXZQSGERY-ZCXUNETKSA-N 400.483 1.374 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cnc3c(c2)c(C(F)(F)F)nn3C)c1C#N 1306285509 ALPZFXDSOGWNRI-UHFFFAOYSA-N 406.372 1.986 30 10 HDEE Cc1nc2ncnn2c(C)c1CCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893653 ZOFCZKQAHNHCFS-UHFFFAOYSA-N 422.445 1.578 30 10 HDEE C=CCOc1c(Br)cc(CNC[C@]2(O)CCS(=O)(=O)C2)cc1OC 1308407529 NEVSEJJMRCDGBY-MRXNPFEDSA-N 420.325 1.662 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 1309511175 IQIUGEHMNQXRSS-OAHLLOKOSA-N 407.536 1.905 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)C1 1310341522 BJODWWYNZJOUQW-OAHLLOKOSA-N 422.551 1.991 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(C#N)cn1CCOC 1310522798 AKHMNHALEOHCOQ-JHJVBQTASA-N 405.455 1.312 30 10 HDEE COCCOC1(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CCOCC1 1312728605 MTOJYOGJJXBHKT-LJQANCHMSA-N 403.479 1.853 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1313378882 CRZWTPBJZCJYAC-DSKINZAPSA-N 410.499 1.945 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1315186436 YBBQHRQWJIKUNV-HZSPNIEDSA-N 403.405 1.868 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)CCO1 1316535664 XEHSGGVOWXTNBU-JTQLQIEISA-N 419.230 1.231 30 10 HDEE COc1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1OC 1318514718 CLKVYLIAZLRZEH-VLGSPTGOSA-N 404.423 1.038 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1358871209 AZMRHSNTUIUIAB-GVDBMIGSSA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358884422 PHQMIZGDIXCIIG-HNNXBMFYSA-N 410.503 1.754 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358961601 BTIMOENHVKTIFZ-MRXNPFEDSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1358968733 WPHMGOJTKPRSET-HNNXBMFYSA-N 410.444 1.373 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNC(=O)c1cccc(OC)c1 1358975431 QKKHVZQIMPCKNQ-UHFFFAOYSA-N 416.485 1.795 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1358979017 AGWWXTUJHWLVEF-DENIHFKCSA-N 408.458 1.669 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CCC2)CC1 1359037062 UFPIBPLCRHOKAS-LJAQVGFWSA-N 412.563 1.320 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2([S@](C)=O)CCC2)CC1 1359037725 UYAKVQCQPAAVRY-LJAQVGFWSA-N 412.563 1.320 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359096430 BMADQCUUOWCAFO-NJAFHUGGSA-N 423.583 1.902 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359229112 YUPYHMJHJHHLBQ-HXUWFJFHSA-N 424.553 1.909 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2nc3n(c2C#N)CCS3)C1=O 1435092633 UVEKCTNZSLPRLQ-LLVKDONJSA-N 405.480 1.379 30 10 HDEE Cn1cc(C#N)c(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)n1 1435359156 IAJNCHHYUFGWNE-UHFFFAOYSA-N 415.251 1.764 30 10 HDEE CN(CC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)S(=O)(=O)c1cccnc1 1438753239 BJRBCSWXUGMGEA-MRXNPFEDSA-N 412.393 1.994 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccncc3)CC2)cc1 1440100274 FPNSCVHNOBHWEK-UHFFFAOYSA-N 413.503 1.672 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)CC[C@@H]4C3)C2)C1 1446212387 SALXCSQNXHPXDD-FMPZLKCCSA-N 402.495 1.606 30 10 HDEE N#CC1(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CCOCC1 1457105886 DUJLOTMMHLPXBS-MRXNPFEDSA-N 407.492 1.194 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 1458770091 SFRVSBCSIZPURN-QGZVFWFLSA-N 415.519 1.851 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2COC(=O)N2CCC[C@@H](C)C2)CC1 1460070685 MEWHEALFONVMSV-WOJBJXKFSA-N 404.555 1.487 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1461389270 PJAVUXNIPXFTJZ-UHFFFAOYSA-N 422.503 1.125 30 10 HDEE C[C@@H]1C[C@H](C(F)F)n2ncc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2N1 1466064246 JBFHRZBLNMWCEX-LALPHHSUSA-N 416.436 1.906 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1([C@@H](O)c2ccccc2)CC1)c1cc[nH]n1 1466280921 UNMLNMNGCFTDHF-SFHVURJKSA-N 400.435 1.324 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C#N)CO 1468042904 GMVDVVHQNOJVOX-NVXWUHKLSA-N 407.517 1.240 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnn(CC2CCC2)c1 1472143219 NDXPVAHCXMNTSF-UHFFFAOYSA-N 415.519 1.818 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H](C)C(=O)Nc2cccc(C#N)c2)CCO1 1473683235 NYWBLEDQYZZMNW-VFNWGFHPSA-N 403.479 1.944 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)C2=O)cc1 1478423294 ZSMBBCIPCQVZLU-RDJZCZTQSA-N 421.461 1.127 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1478581201 JACPQDHPGFZOSL-IEBWSBKVSA-N 407.486 1.470 30 10 HDEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1479623991 VHQMKBMVUQJNSF-GOSISDBHSA-N 400.523 1.435 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1494658269 DXKHMXAYCZYLLV-AOMKIAJQSA-N 424.505 1.448 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCOC1 1495773133 GZBBNSOALXRVKR-HRAATJIYSA-N 411.510 1.536 30 10 HDEE CO[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOC1 1504050912 DZEHEAPYZLTWNM-LPHOPBHVSA-N 423.539 1.116 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1504572227 LKYOEJDYUBGQAT-AOMKIAJQSA-N 424.505 1.728 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1507521152 VUINKOKHSOFNLN-APPDUMDISA-N 405.300 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1507533337 JVSIDSFAQNTLBS-DOTOQJQBSA-N 402.543 1.577 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(OC)nc1OC 1507605235 OMWXJKOIAODIHE-UHFFFAOYSA-N 400.483 1.726 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1507634724 POBNFAQQXKFEBL-IBGZPJMESA-N 415.563 1.890 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OCC)CCCC1 1507660000 KIZSPLHJAVIHDG-QGZVFWFLSA-N 421.567 1.701 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)CC)CC1 1507738684 VLGVRBNEUSFYGT-JOCHJYFZSA-N 410.522 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@@H]2OC)CC1 1507741556 WSSINNCOQHJYFV-CEXWTWQISA-N 415.538 1.911 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1507833396 PHVYYUGUTYDGOC-QGZVFWFLSA-N 402.543 1.666 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1507844464 KJJHLVDRJJFDDO-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(C)C)C1 1508091939 PNJAOCFDTLMQKH-HZPDHXFCSA-N 409.556 1.355 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)cc1 1508100247 HINHSYDVSHGTDJ-SJLPKXTDSA-N 424.505 1.544 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC(C)(C)C2)C1 1508120717 AOVFLLFUBTXKIR-IRXDYDNUSA-N 418.542 1.121 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1518914630 MGDMREYBJKILBS-UTKZUKDTSA-N 410.478 1.147 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)nc1 1519274545 CCIYNYSMXHJHAI-LIRRHRJNSA-N 404.446 1.896 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1521130138 QVYVLQSNJVSYOI-RHSMWYFYSA-N 414.441 1.679 30 10 HDEE N#CC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCSCC1 1523317607 PXUSQHDBBNWJJY-UHFFFAOYSA-N 413.496 1.822 30 10 HDEE C#C[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 1523759355 CIRGVWPSXMDFDQ-CABCVRRESA-N 400.294 1.910 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2coc(C#N)c2)CC1 1525798502 KRVLWMHPOQUAAD-UHFFFAOYSA-N 404.404 1.515 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538992013 JARIREAYXUWYRF-JKSUJKDBSA-N 417.535 1.693 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1539079581 WEEXYMRPTVSTDS-LJQANCHMSA-N 413.526 1.285 30 10 HDEE CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1539118802 RKPPICKZDNSVMK-MAUKXSAKSA-N 410.517 1.271 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1539178084 DQMYBWNOMNGBLC-MRXNPFEDSA-N 423.926 1.382 30 10 HDEE C=CCc1ccc(OCC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)c(OC)c1 1539376428 OJNSCVGRCXKLLS-JKSUJKDBSA-N 405.447 1.756 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCc1n[nH]c(C)n1 1539402579 DTJQNFUKOFDNJB-UHFFFAOYSA-N 400.874 1.749 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539460168 ZBOTUUVGIIYNFK-HTAPYJJXSA-N 413.570 1.692 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccco2)CC1 1539828718 OCXTUHSLTXIACE-AWEZNQCLSA-N 422.511 1.068 30 10 HDEE Cc1oc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1S(C)(=O)=O 1540590984 IOWXIBITZJGRDM-UHFFFAOYSA-N 404.448 1.691 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(c2nc(CC)ns2)CC1 1540872097 CINLAKMWUHJHDP-UHFFFAOYSA-N 404.544 1.273 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(OCC2CC2)CC1 1540873108 NCPSKMGMBCUJLA-UHFFFAOYSA-N 410.522 1.962 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1541686210 GCLDODKJNSQLGK-QGZVFWFLSA-N 423.477 1.372 30 10 HDEE CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1542978359 ODULTAZKPLSAPF-NXVVXOECSA-N 408.499 1.960 30 10 HDEE COC(=O)[C@H](COC1CCC1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1544491763 CTDADTSUWVAGIF-SFHVURJKSA-N 422.503 1.947 30 10 HDEE COc1cc(/C=C\C(=O)N2CCN(C(=O)CC#N)CC2)cc(Br)c1O 1545534457 HXMOFYZYZYNXQN-IHWYPQMZSA-N 408.252 1.761 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccon2)C1=O 1554355127 ONOCSGLHWZOEEH-NRFANRHFSA-N 421.461 1.831 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1556584819 ILVFUMXRJOFQCU-OAHLLOKOSA-N 402.463 1.809 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1 1558654299 FUYBQCUKZXDWSV-SJORKVTESA-N 419.503 1.432 30 10 HDEE Cc1nc2ccccc2c(=O)n1CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1559032751 HATWQRVWLTXJEB-UHFFFAOYSA-N 420.425 1.609 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(C)c3snc(C)c3C#N)cc2S1(=O)=O 1584664872 CJLBOSSKBMCNPV-UHFFFAOYSA-N 420.472 1.391 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c(=O)nc1O 1584859122 ZYGPYUMIOOEDEA-IUODEOHRSA-N 408.336 1.261 30 10 HDEE N#Cc1sccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1585251332 CSVKACDANFTVMH-UHFFFAOYSA-N 404.517 1.356 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCO[C@@](C)(C#N)C3)c2)C[C@@H](C)O1 1585431288 BMJYCGCRNJNNKP-CLCXKQKWSA-N 407.492 1.239 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)CC1(C#N)CCOCC1)c1ccc(S(C)(=O)=O)cc1 1586183424 NNRZMLJXZSRNCS-LJQANCHMSA-N 422.503 1.695 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587766735 YFASFIUPGOSOIG-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587857468 ZBDAQARHVFGLFM-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSCC#C)CC1 1588923527 CJMJKLXFIXOQJW-UHFFFAOYSA-N 411.535 1.011 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)OC1(C)C 1593777580 ARRLKVBZHSMKMH-UHFFFAOYSA-N 423.344 1.632 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)CC1 1594408139 FBAGNOVZOJCIRT-SFHVURJKSA-N 403.527 1.999 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1594628011 YPASCBWTSBFWFT-CABCVRRESA-N 409.512 1.177 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1594720329 JKKUAYLPDJBRPI-UHFFFAOYSA-N 409.494 1.731 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1595219144 QLTOPKHHDOPLCC-KRWDZBQOSA-N 409.556 1.081 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@H](C(C)C)C1 1595784034 AHCZXAFLZNMQMM-KRWDZBQOSA-N 405.524 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595784488 GVQCIDMGLBISGJ-ZDUSSCGKSA-N 419.429 1.642 30 10 HDEE C=CCCC[C@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OC 1596245099 USDGIIYXLZKQQM-HNNXBMFYSA-N 400.435 1.975 30 10 HDEE N#Cc1cn(CC(=O)NCC2(c3ccc(Br)cc3)CCC2)c(=O)nc1O 1597198797 AKVSMFSQXVMSAZ-UHFFFAOYSA-N 417.263 1.821 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1602849408 IAEXLGWYRWJRAC-IERDGZPVSA-N 411.510 1.535 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CCC1 1615923120 FKIYKTPTXGSLLM-LSDHHAIUSA-N 422.555 1.082 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CC#N)C(F)(F)F 1616998130 MFSXNURKLAJPKM-CQSZACIVSA-N 405.398 1.590 30 10 HDEE COC[C@@]1(C(=O)NCc2cc(C#N)ccc2F)CN(C(=O)OC(C)(C)C)CCO1 1618673999 SKNBURKIQZETMQ-HXUWFJFHSA-N 407.442 1.966 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1619538862 CKWFTVCLUOTFFV-JCGIZDLHSA-N 412.494 1.568 30 10 HDEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1619841046 YHAWRULHUYIWOQ-AWEZNQCLSA-N 406.512 1.433 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cc1 1620544319 NROPGLPJVAGNRT-UHFFFAOYSA-N 415.475 1.697 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1OCCOCC 1622317858 ALCSLKZHBUSNMC-AWEZNQCLSA-N 420.325 1.917 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1623640722 MTXQESGMCVCVGJ-QZTJIDSGSA-N 406.914 1.482 30 10 HDEE COc1cc(NC(=O)Cc2cccs2)c(C(=O)N[C@@H]2CCN(O)C2=O)cc1OC 1624906589 OAVPVGBIFAGYIG-CYBMUJFWSA-N 419.459 1.666 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1626098747 RZYRRZAISZKBKH-INIZCTEOSA-N 409.508 1.166 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)c(F)c2)cc1OC 1626519246 HHHNZKAYCAYRHL-UHFFFAOYSA-N 421.450 1.699 30 10 HDEE CCOC(=O)[C@@H]1CSCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626805370 CVUFGKAXFJUVOF-CABCVRRESA-N 416.459 1.228 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CC(=O)NC2=O)cc1 1630687294 OSPHJYSWGHLVPX-GHOZOMOVSA-N 420.491 1.271 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(NCc4cnn(C)c4)cc3)CC2)c1C#N 1633055290 BEABWQXVCMVRMJ-UHFFFAOYSA-N 418.505 1.908 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)NCCNc1ncnc2ccc([N+](=O)[O-])cc12 1635510014 PEDDTIFQESDHMO-UHFFFAOYSA-N 405.370 1.847 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1C#N 1636318395 XNTCGCGIUNPLRG-CYBMUJFWSA-N 400.504 1.656 30 10 HDEE C=CC[C@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1636893913 RQIIZQORSKBTNM-KRWDZBQOSA-N 423.510 1.616 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](OCCC(C)C)CC2)CC1 1636930129 MTJOPSXWWNAUDW-IYARVYRRSA-N 414.572 1.155 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC#C[C@@H]1CCCCO1 1637186758 YECKKAKZCOKEEV-KRWDZBQOSA-N 417.531 1.974 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 1637739688 BUZHCRYCNDKAMO-CQSZACIVSA-N 417.443 1.736 30 10 HDEE Cc1cc(C#N)cc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1 1637919532 DUADFTXXPUKXNQ-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(NC(=O)C(F)(F)F)nc1 1642321559 WOJAZZWBJKXDDH-CCEZHUSRSA-N 411.340 1.115 30 10 HDEE C[C@]12COC[C@@]1(C)CN(CC(=O)N1CCN([C@@H](C#N)c3ccc(F)cc3)CC1)C2 1643753909 WTTTZNAUTMLFNN-ILWGZMRPSA-N 400.498 1.893 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CCOCC1 1645730001 MTMBAOXKBMDSFK-UHFFFAOYSA-N 421.338 1.478 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1645733373 GJFGDYNZDKEQDZ-INIZCTEOSA-N 423.340 1.180 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(OC(C)C)CCOC2)s1 1646169555 BSFGFKOEROXWQL-KRWDZBQOSA-N 402.538 1.455 30 10 HDEE C#CCC1(NCC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCCCC1 1648419092 SNOJLRBQBGZGRK-UHFFFAOYSA-N 419.547 1.962 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C1CCOCC1 1656100214 ZKKCIFMWXDYJQJ-MRXNPFEDSA-N 414.549 1.690 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1662023832 JBZVTFPAFMGQFR-SGANQWHYSA-N 403.526 1.722 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OC)cc2CC(=O)OC)n1 1663145070 WKBXCTQDTVFWCM-UHFFFAOYSA-N 405.476 1.451 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1663315182 CCVHDOQSKQDLBH-JTQLQIEISA-N 418.313 1.245 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)N(CCO)C[C@H]2C)cc1 1665969554 PDWCUKONWIUXLD-JKSUJKDBSA-N 410.540 1.412 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2c(Br)cc(F)cc2Br)C1 1666561205 IWAQCKJXLFQWIN-UHFFFAOYSA-N 413.062 1.719 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)CC1 1678385861 ODPDIZIQJGBMPW-KBXCAEBGSA-N 408.499 1.244 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1682742353 HUDGRIDCIRZCHO-SFHVURJKSA-N 402.462 1.972 30 10 HDEE N#Cc1ccc(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)nc1 1683088388 ZPXBFZRXCTWZKT-UKRRQHHQSA-N 402.398 1.604 30 10 HDEE C#CCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CCN(C)CC1 1683340775 JKPIIZBTMJPLLW-UHFFFAOYSA-N 413.566 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689851474 RHVACPQDQMRUAA-OALUTQOASA-N 422.533 1.589 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1689938459 MGLFHCWAARRUJC-LJQANCHMSA-N 415.469 1.751 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1cnn(C)n1)[C@H]1CCS(=O)(=O)C1 1689979843 IDTYRDFVRSDKIK-WBVHZDCISA-N 419.555 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(C)CN(C)C1=O 1690053137 YMTKZNWSMKHHGK-QHCPKHFHSA-N 405.502 1.841 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1690085889 JGPVGOSBNAUQED-UHFFFAOYSA-N 411.441 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)CC1 1690111466 CCGIVQIUENMVMI-SJORKVTESA-N 422.599 1.470 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690169556 GMKFQDQXBWFIES-OAHLLOKOSA-N 408.553 1.058 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690251442 VHBZWANMFATEBG-VQIMIIECSA-N 423.583 1.730 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1690984131 JRJRWUFZDXCAHO-LJQANCHMSA-N 412.494 1.729 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1696197191 HOANMVHRRLOXDX-CHWWFWEZSA-N 401.442 1.743 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1696666651 ZAAJVJYYBVPRLW-SQFISAMPSA-N 422.371 1.260 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCSCC2)CCO1 1698492729 FSFDFEZNYDWMHM-KRWDZBQOSA-N 416.526 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1705490283 GVEPBJUSRULVRQ-ZDUSSCGKSA-N 416.432 1.932 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705531827 XRIKLPKIKPBESW-INIZCTEOSA-N 412.494 1.772 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccc(C)cc1 1705556477 QRSLWKOVKYSWGY-UHFFFAOYSA-N 405.506 1.948 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@H]1C 1705580088 DAMPROIRLQHARV-IEBWSBKVSA-N 402.502 1.753 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1705582272 XJSGRHVCUUSHBX-LJQANCHMSA-N 403.486 1.579 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705596485 GCVHBAXSMCDKKX-UHFFFAOYSA-N 417.560 1.967 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1705598317 HBADCNWRYOQOIX-JKSUJKDBSA-N 417.560 1.903 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(OC)C1CC1 1705674581 MIVIUARPZWANPV-CDHQVMDDSA-N 406.552 1.987 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1705852252 XWWOYPKAAFQHJP-UZLBHIALSA-N 424.567 1.908 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705903592 YLDPSFYABNRMIN-INIZCTEOSA-N 418.542 1.169 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)C1 1705914909 GGXCWCXYGPLIKP-ZBFHGGJFSA-N 409.556 1.860 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)c2cccs2)C1 1705922196 IBHBKJGCPCAQAC-SIFCLUCFSA-N 417.535 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)CCC 1705934142 CEFYZPMQQUDVIM-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C[C@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1(C)C 1708275026 XXRCUJOGWYVVTO-KGLIPLIRSA-N 419.507 1.697 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](COC)OC 1722284811 POWRIUAMZJDBGI-PBHICJAKSA-N 419.913 1.981 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1722293841 TWCUJMYUDMDXMN-BBRMVZONSA-N 419.489 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722300738 QZHNVAAMUPVNEZ-DOTOQJQBSA-N 402.524 1.146 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CCCN(CC)S(C)(=O)=O 1722351989 SMFDCADENIQMJV-UHFFFAOYSA-N 403.552 1.918 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1722355229 RERMYVBTKFYITA-HZPDHXFCSA-N 423.514 1.317 30 10 HDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722369621 CNCKPYDXAPVIHO-INIZCTEOSA-N 418.519 1.902 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(C)CN(C)C1=O 1722427318 NHLGWQNGKZRKSI-NRFANRHFSA-N 415.469 1.561 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722460501 XSCBEFDFCNYTST-IAGOWNOFSA-N 406.552 1.923 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1)C1CC1 1722644263 TWVNXBCISWOZDS-INIZCTEOSA-N 416.526 1.164 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCC1 1722679389 ZANPMPMAMLTSCY-UHFFFAOYSA-N 420.535 1.902 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722698515 GONRWTUGQHPLME-HUUCEWRRSA-N 401.471 1.160 30 10 HDEE CC(C)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723416690 HAEIFKAPPJMXCR-QZTJIDSGSA-N 415.542 1.468 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)C1 1731180504 CCDGJUAWCKOCJR-IBGZPJMESA-N 418.498 1.531 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740550613 QUTURJKDRCJWEN-JYCIKRDWSA-N 410.503 1.963 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1740554054 VVUJYNQFACRNAY-YOEHRIQHSA-N 421.523 1.327 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740622587 ZNAHURLPSSZLFD-HZPDHXFCSA-N 418.519 1.615 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCN1CCCO 1740641401 JXCJJZLHHQMDCZ-NRFANRHFSA-N 409.509 1.928 30 10 HDEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740896489 VZZKJVMLQBVLOB-HXUWFJFHSA-N 415.519 1.609 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1740899024 DEYUGEQECGBJLZ-HNNXBMFYSA-N 400.508 1.807 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1740940500 IJHFGLOHXUHGKG-KXBFYZLASA-N 408.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](OC)C1 1740957157 CRIGUGUBLFKHQZ-GOSISDBHSA-N 407.478 1.658 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1740992326 FCHDBCHLMXLQDV-WMZOPIPTSA-N 419.551 1.726 30 10 HDEE CC(C)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1741623481 HBIVEUVTXYVNSR-YESZJQIVSA-N 401.515 1.078 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1741801288 AFQRNFOFGQPRED-HNNXBMFYSA-N 402.524 1.970 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H](C)C#N 1746489902 PSCPJIYUYBLALV-PMPSAXMXSA-N 406.531 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1748641436 GYASTOKFRHQWCC-HNAYVOBHSA-N 410.540 1.354 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)COC)CC1 1748977859 KPOSETOHOLAFMY-WIYYLYMNSA-N 405.543 1.356 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CCCn3cc(C)nc32)CC1 1749015118 SJBUWROVWFJEOK-GOSISDBHSA-N 409.538 1.889 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)CCN1CCOCC1 1749098602 HBKHERODPZNWFB-UHFFFAOYSA-N 409.332 1.961 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749098625 HTXSSNJOZBBAHU-CYBMUJFWSA-N 412.313 1.872 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCOCC1 1749143903 OFOMCQWYRMIHFV-HOTGVXAUSA-N 414.576 1.011 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749223726 YWKFTGJOXYJFKT-UHFFFAOYSA-N 413.526 1.267 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 1749402008 HNBWKNORSDVJON-HNNXBMFYSA-N 405.528 1.457 30 10 HDEE C=CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749403152 XOUZYPMDPRCPOO-IRXDYDNUSA-N 411.572 1.999 30 10 HDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCS(=O)(=O)CC1 1749457667 OFQFOBBVYYKGQN-UHFFFAOYSA-N 408.499 1.836 30 10 HDEE COCCOCc1ccc(Cn2c(C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)cc1 1750080194 AXFZRYGAHUOJPF-OAQYLSRUSA-N 410.522 1.974 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCSCC1 1750419518 POKBMXKRLCZNFX-DUPDJQDOSA-N 418.523 1.599 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1750579855 FCYUHNAEUJNXMR-DJJJIMSYSA-N 402.455 1.142 30 10 HDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1752540689 NZHOMJHPMFBJMK-FGZHOGPDSA-N 424.505 1.606 30 10 HDEE C#CCN(C(=O)C[C@@H]1CCCOC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759987799 YZORZPYNDYWVKJ-MZNRPPOFSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1760114283 KCMRMVJADWFGFP-DLBZAZTESA-N 400.527 1.332 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCC[C@H]1C 1760170416 BOKKSOZNYVFCHB-QRWLVFNGSA-N 416.551 1.859 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NCCC 1760199196 RBWZMUKAKACMLO-UHFFFAOYSA-N 407.474 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccc(F)cc1 1760221870 NVUXYXOLKVPSNN-HSZRJFAPSA-N 423.492 1.910 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1760259312 KDNSRWSPXJXRJC-UHFFFAOYSA-N 405.568 1.658 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS2)CC1 1760269053 WMZKKWTZPAMAHX-HZPDHXFCSA-N 416.551 1.091 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760281102 XSIPFVVQMMDIRA-FQEVSTJZSA-N 424.534 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1760295131 NTWGCWYRXQRBOR-DOPPQHETSA-N 410.565 1.083 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760297998 QUQCIQBUKSYFGW-XMSQKQJNSA-N 416.570 1.749 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1760467965 CEHYKTVYVSXJPT-UHFFFAOYSA-N 424.498 1.558 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760510569 CYFANMBQXGYODZ-BHIYHBOVSA-N 402.543 1.347 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760523816 IIWRUXMIIHSGRD-ZWKOTPCHSA-N 416.570 1.785 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1760556616 KDTVXBHTZWICLO-WMZOPIPTSA-N 419.551 1.726 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760819336 BDNLZVKUVJJOQW-DLBZAZTESA-N 410.478 1.450 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)N(C)C 1761396064 JRYWZVLUCHJVTL-WDYCEAGBSA-N 407.522 1.729 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(C)=O)CCOC1 1767451074 MVIOINLKFVDRBF-VQTJNVASSA-N 404.515 1.586 30 10 HDEE CO[C@@H](Cc1ccccc1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1768046016 GOYDHHCYIJXNCB-OALUTQOASA-N 407.478 1.665 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(C)COCCO1 1769843224 BRKQTPLOTHNRKI-HXUWFJFHSA-N 400.483 1.821 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OC)c1 1770050082 IPTFLYKSASDNCK-CRAIPNDOSA-N 401.467 1.788 30 10 HDEE CCc1noc(-c2ccn3c(CC(=O)NCC#CCN4CCCCC4)nnc3c2)n1 1850619694 YBIMNASTFRAODR-UHFFFAOYSA-N 407.478 1.490 30 10 HDEE COc1cc(OC)nc(O[C@@H](C(=O)NCC#CCN2CCCC2)c2ccccc2)n1 1851663526 KOOJTBZXHCAMRG-HXUWFJFHSA-N 410.474 1.829 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(c3cc(-n4ccnc4C)ncn3)CC2)n1 1851937651 QBKOXHQJSSCUQF-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE CC1CCN(C(=O)CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1852620220 DYEKZGKMTDOFIE-NRFANRHFSA-N 401.507 1.913 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCCN(C4CCS(=O)(=O)CC4)CC3)cnc21 1853290151 XQDMTGTVZCAORF-UHFFFAOYSA-N 415.519 1.170 30 10 HDEE Cc1ccc(C2=NOC3(CCN(C(=O)CCON=C(N)c4ccncc4)CC3)N2)cc1 1853567994 YGRAISXLWUAKCH-UHFFFAOYSA-N 422.489 1.717 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1 1853651710 LVWIBCACCQFEOS-HXUWFJFHSA-N 408.502 1.676 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3cnc4ccccc4c3=O)C2)CC1 1853748483 KEBZVCXPFYUSGA-QGZVFWFLSA-N 407.474 1.397 30 10 HDEE COC1CCN(C2CN([C@@H]3CCCCN(C(=O)c4cccc(C#N)c4)C3=O)C2)CC1 1854309859 ZXYSOVCCCQJLKZ-OAQYLSRUSA-N 410.518 1.875 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)[C@H]3CCCS3)C2=O)CC1 1854831673 QARMSZILJVBXIX-QZTJIDSGSA-N 413.547 1.879 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855394737 YXAJNYWUHNXBHV-ROUUACIJSA-N 416.522 1.998 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3F)c2)C1 1855725122 RUCHIIVAYIRUHP-INIZCTEOSA-N 410.449 1.870 30 10 HDEE CC(C)N1CC[C@@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2(C)C)C1=O 1856051839 JITGSADYPPXHDS-LJQANCHMSA-N 410.518 1.950 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1856254676 DPKGZYYOBPXYKT-IRXDYDNUSA-N 405.520 1.992 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCC4(CC3)C(F)(F)C43CC3)C2=O)CC1=O 1856773600 VYBJAOSNFHJISB-CABCVRRESA-N 407.461 1.660 30 10 HDEE C=CCNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614153 VMRIISGILFRCCY-UKRRQHHQSA-N 405.882 1.995 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)N(CCOC)CCOC 1871335168 XMWJDYKEYZLBNB-UHFFFAOYSA-N 407.252 1.717 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871618378 ANDHFCNIBGJDCA-UHFFFAOYSA-N 401.515 1.222 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1886097544 PORJXBOGGCTCFA-MRVPVSSYSA-N 404.208 1.521 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3cc(=O)n(C)c(=O)n3C)ccc21 1889544880 JMWDYDSGNYOQSO-UHFFFAOYSA-N 412.446 1.274 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 1889753646 HUDLYVOJNIRNHF-KRWDZBQOSA-N 414.487 1.933 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CN(c3ccc(OC)cc3)C(=O)O2)cs1 1891215804 WNHYITADNLNEFS-AWEZNQCLSA-N 416.459 1.823 30 10 HDEE C=CCn1ncc(NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2043995034 KDXNKWOPRUXFTP-UHFFFAOYSA-N 415.288 1.586 30 10 HDEE C[C@H](C#N)S(=O)(=O)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2054405393 KRKUQMCVNSQKAD-NVXWUHKLSA-N 407.492 1.778 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074692356 RJGQVBZWQVKQDB-WVDZOPJMSA-N 408.476 1.315 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)CCC(F)(F)F)s2)OC1(C)C 2128948733 NHCABFPJWVRROU-UHFFFAOYSA-N 400.253 1.814 30 10 HDEE CCN[C@@H](CC#CCOC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197747240 CUKLYMRRQONECQ-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243479755 RSPACHOQHFEGRM-AWEZNQCLSA-N 407.320 1.866 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247827006 CZHGAONNFPETNX-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE Cc1ccnc(C(=O)N(CC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247832863 WVFDZZYHUSTBLY-UHFFFAOYSA-N 409.295 1.817 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2247907211 YBKPIXBLOHOBCV-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CNCC[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281992802 RSDIMMOLXXURLS-AREMUKBSSA-N 401.725 1.492 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CCC(CO)CC3)c2)OC1(C)C 2282340013 AEBVADCLCKJGGD-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@@H]3CCO)c2)OC1(C)C 2282340348 DTOGQRATDSKENL-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE COC(=O)[C@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282347855 DEUQJTVMNGPDTB-GFCCVEGCSA-N 401.315 1.373 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H](S(C)(=O)=O)CC[C@H]1C)B1OC(C)(C)C(C)(C)O1 2282491247 KGBWBMBDCGAAIL-ZIAGYGMSSA-N 407.363 1.401 30 10 HDEE CCCN(CC(N)=O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500501 YPYZWQLSFSNEOD-UHFFFAOYSA-N 402.347 1.074 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282506612 VEBDLYHEMLZWQL-TZMCWYRMSA-N 400.375 1.607 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)s2)OC1(C)C 2282622075 ANZSEKOXCNFQBR-ZDUSSCGKSA-N 417.383 1.607 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@H](C)C[S@@](C)=O 2282833607 YHDSAPQJZSTEFT-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ccc(Cl)s2)n1 2282839500 FFISNMSQADHIEF-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852377 OKGZBVXKGZVLKW-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CC([C@H](F)CO)C3)c2)OC1(C)C 2282853159 ZBKSOTQORMTYSZ-KGPNIALWSA-N 405.322 1.435 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCC[C@H]2CO)OC1(C)C 2282857643 KVRPFXIBXWWVHK-STQMWFEESA-N 401.359 1.734 30 10 HDEE CC[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406397 XVAXYCNVWRUUQR-LBPRGKRZSA-N 403.693 1.781 30 10 HDEE C[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](F)C(=O)O 2284408682 BAEIKSUHGBMPMH-ONGXEEELSA-N 407.294 1.384 30 10 HDEE Cc1ccc(N=C(Cc2nc3c(=O)n(C)c(=O)n(C)c3[nH]c2=O)c2ccccc2)cc1 2297640474 XOPURZWNKCTZIS-UHFFFAOYSA-N 415.453 1.992 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@]2(O)CC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2319414591 DKRABOUALMYMJW-JXFKEZNVSA-N 405.472 1.346 30 10 HDEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccncc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c1ccsc1B1OC(C)(C)C(C)(C)O1 2369655492 YLUMUTBIXFYNLU-QWHCGFSZSA-N 404.338 1.119 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2375785800 TWWPHWQLSRUJEB-GLJUWKHASA-N 402.513 1.514 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)ccc1O 58995115 ASBZWXRIDSGZER-UFWORHAWSA-N 402.436 1.966 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 60507786 PGTBHZCSOHZHHC-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE CCOC(=O)c1c(NC(=O)/C(N)=N\O)sc2c1CCN(C(=O)OC(C)(C)C)C2 83239924 LGSQYPDIIDFPRH-UHFFFAOYSA-N 412.468 1.903 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccc([N+](=O)[O-])cc2)/C1=C(/O)c1ccco1 102548583 AWMHTYCXLRUADA-SCDSTIRESA-N 402.359 1.618 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2cccc(F)c2)C1 169680491 SASKVOJWUAQTHE-WOJBJXKFSA-N 410.486 1.179 30 10 HDEE CN(C/C(N)=N/O)C(=O)c1cc(Br)ccc1I 234284269 UJJWQXUDWACRLZ-UHFFFAOYSA-N 412.025 1.872 30 10 HDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CO)(C(=O)O)N[C@H]2c1ccc(-c2ccccc2)cc1 248234175 LYYMSTMSGFTWJD-CMCWBKRRSA-N 418.449 1.438 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccccc1 254555800 KQNZITBDPAUWAA-HUUCEWRRSA-N 410.517 1.581 30 10 HDEE N#Cc1nc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ccc1[N+](=O)[O-] 302721774 LODLWFWFMRFWLP-UHFFFAOYSA-N 413.459 1.861 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)n1cnc(C#N)n1 409867775 LLTXYFBLUDNEMU-IINYFYTJSA-N 403.240 1.173 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 410073273 DDYPYLFRXGKHQD-CVEARBPZSA-N 423.535 1.123 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(Oc4cnccn4)CC3)C2=O)cc1 426366655 RWEHQTVDGVUUKK-IBGZPJMESA-N 420.473 1.702 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 438606056 HXXZBXKIWNBEJR-OWCVQMPJSA-N 410.474 1.935 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443075698 ZVKIMRQNCMCNEH-HNNXBMFYSA-N 402.432 1.444 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]2CC23CCOCC3)CC1 444323159 BWSIEWRHDMIIAU-QGZVFWFLSA-N 418.519 1.391 30 10 HDEE COc1ccc(CNC(=O)CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 462084460 MCBKAKJRNXRAJL-UHFFFAOYSA-N 405.418 1.585 30 10 HDEE COc1cc(CNC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)ccc1C#N 462472810 JJVTVAFCVBWCHA-INIZCTEOSA-N 423.433 1.633 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 462595746 PQVOQHYNOMHXRY-UHFFFAOYSA-N 400.410 1.633 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(c3nccn(C)c3=O)CC2)c(OC)c1 465031198 FSJRKOIQRMTFQG-SFHVURJKSA-N 414.506 1.079 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)n1cnc(C#N)n1 467424676 KEONMJZWRUZFPU-AWEZNQCLSA-N 410.459 1.828 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1C#N 489447375 IBGYMOOCNMWQNP-UHFFFAOYSA-N 406.489 1.263 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 507502393 RPSNMQFYNHGEOI-AWEZNQCLSA-N 424.954 1.965 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 508466751 VYTIVAYUGDCCLH-UHFFFAOYSA-N 401.540 1.787 30 10 HDEE CN(C)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 511130724 JNXNJWZSOYELSU-UHFFFAOYSA-N 412.515 1.767 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 514183922 YTBQWRNHCRVCKW-DLBZAZTESA-N 402.520 1.137 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 523579844 JBZCJPSQATUERJ-AWEZNQCLSA-N 403.529 1.664 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 527009992 KWBKLSZYKYYZOI-CVEARBPZSA-N 404.467 1.640 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1cccc(C#N)c1 531154196 WEBHAORWIVIYLT-UHFFFAOYSA-N 415.471 1.769 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccccc1C#N 532449066 JLQPAAILHBJJNM-UHFFFAOYSA-N 422.491 1.090 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 532901991 LXWFPRUMPNUTSE-UHFFFAOYSA-N 414.416 1.108 30 10 HDEE Cc1nc2ccnn2c(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 535531803 BYUIADQWHQBOAD-UHFFFAOYSA-N 424.486 1.365 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1OC 537836932 LCDZGSSDUMCDAB-UHFFFAOYSA-N 420.443 1.719 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3cccnn3)CC2)CC1 539450383 DGYGDWDZUNCHEG-FQEVSTJZSA-N 423.496 1.147 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 542217883 CNNDZURHWLWBNM-UHFFFAOYSA-N 423.523 1.297 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)n1 546219563 GUJHKMJPJOYQSQ-CQSZACIVSA-N 410.400 1.338 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CC(=C)C)CC1 549636967 BDZLIXJHSCCFKJ-HXUWFJFHSA-N 422.533 1.955 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(OC(F)F)c2)cc1 568739684 UJERKWUFQRRPKL-UHFFFAOYSA-N 410.402 1.805 30 10 HDEE Cc1c(C(=O)N(C)CCOCc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 582689386 OVXYZZRNFPKMAZ-UHFFFAOYSA-N 421.457 1.101 30 10 HDEE Cc1c(I)cn(CCn2nc3ccccn3c2=O)c(=O)c1C#N 583505429 DYJOCQLAVNVGDC-UHFFFAOYSA-N 421.198 1.143 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 609639433 OIAZPYAJGSZFPV-UHFFFAOYSA-N 401.536 1.421 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNCC3)cc2C(F)(F)F)OC1(C)C 725384534 PSWYEXZTAQQSOR-UHFFFAOYSA-N 420.262 1.599 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)CN3C(=O)N[C@@](C)(c4ccc(C#N)cc4)C3=O)cc2NC1=O 727977232 UWVPFMZFKOFBCJ-YTEVENLXSA-N 418.409 1.928 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc(OC(C)C)cc2)c1C)[C@H]1CCS(=O)(=O)C1 731340059 MZTDOUGQECCQQK-KRWDZBQOSA-N 416.503 1.625 30 10 HDEE COC(=O)[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 740176691 ABNMZUZUNBHJFA-MSOLQXFVSA-N 424.388 1.575 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1C#N 747495257 KYYYNQUNIPGSQY-GASCZTMLSA-N 423.473 1.830 30 10 HDEE COCCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1F 747496985 YFXZLFPQIWSNAP-UHFFFAOYSA-N 401.394 1.986 30 10 HDEE C#CCN(Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 749283358 ASROMDJZQHNLID-AWEZNQCLSA-N 410.492 1.299 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN([C@H](CC)CO)CC3)ccc2c1=O 759634403 WPPMCFNHINFZPG-OAHLLOKOSA-N 402.520 1.400 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)cc1 760832611 FBJSGOJVBGCJJF-JFNVISDNSA-N 417.897 1.911 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3ccc(F)cc3F)CCOCC2)CC1 761154328 HKIRFEUQCHHZGQ-UHFFFAOYSA-N 419.472 1.297 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(COC3CCOCC3)c2)CC1 767963652 LYFSWUDMPONHDY-UHFFFAOYSA-N 413.518 1.280 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782419148 SSRDRFTXXKVACK-HXUWFJFHSA-N 419.482 1.914 30 10 HDEE CCCc1c(NC(=O)C(=O)NCCCN2CCOC2=O)cnn1-c1cccc(C#N)c1 785984131 GDTPYAHYKRWZHM-UHFFFAOYSA-N 424.461 1.593 30 10 HDEE O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)OCC#Cc1ccc(Cl)cc1 786998610 DCWDPWDEPWCEQR-LJQANCHMSA-N 404.894 1.948 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c1 787972883 GKLQPKOQMHLODL-LLVKDONJSA-N 405.407 1.789 30 10 HDEE CSc1c(C(=O)[C@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cnn1C 791773123 IHECGUYRNLJXIT-AWEZNQCLSA-N 424.486 1.901 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H]2CCCO2)CC1 802680614 XMBNZZLMOOINDM-GOSISDBHSA-N 409.490 1.651 30 10 HDEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 803922871 WGQAHPDUWHIEQF-LRDDRELGSA-N 408.451 1.306 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)NO1 810787247 OQGTUWVFSBVHEL-RHZFPYOZSA-N 405.454 1.704 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)c2)c(=O)n1C[C@H]1CCCO1 837868901 MAYCJSXQKOBPAW-GOSISDBHSA-N 403.467 1.301 30 10 HDEE COc1cc(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)cc(OC)c1O 849086883 DKGDNWBWEBUUAL-CQSZACIVSA-N 406.483 1.790 30 10 HDEE N#C[C@H]1CN(C(=O)c2cn(CCO)nc2C2CCOCC2)CCN1Cc1ccccc1 856641913 UMMCVVBONKOCRM-FQEVSTJZSA-N 423.517 1.620 30 10 HDEE COC(=O)c1cccn(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1=O 1135762175 BZDFAWYJXODUKD-SFHVURJKSA-N 412.421 1.183 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1N)[C@@H]1CCS(=O)(=O)C1 1136355539 ZPTFJWYDLDGUEA-SNVBAGLBSA-N 418.256 1.136 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(c3ccccc3F)C2)c1 1141459165 HRBARAJNJJPWRC-LBPRGKRZSA-N 419.409 1.797 30 10 HDEE CC(C)CC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1156670132 PNGFVLDVXJZOLS-QRFRQXIXSA-N 403.504 1.287 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(N)=O)[C@H](C)c2ccccc2)s1 1160008064 BZDNOQVKYOVNAB-ACJLOTCBSA-N 421.544 1.529 30 10 HDEE C#CC[C@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C(=O)OC 1161356956 HWTWXODOXUABKB-DBWCEAHUSA-N 405.495 1.585 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 1176380896 GIDMLHDZBFQIFB-POAQFYNOSA-N 416.497 1.808 30 10 HDEE CCOC(=O)c1c(NC(=O)NC2(COC)CCOCC2)c(C#N)cn1CCOC 1203101434 BOWNFTOJLKVMSI-UHFFFAOYSA-N 408.455 1.500 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 1248676759 RJNATJOHFPTSCP-HKUYNNGSSA-N 405.520 1.271 30 10 HDEE COC(=O)c1cnc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)s1 1248742058 VDTSNLMDRSAGLI-UHFFFAOYSA-N 403.439 1.972 30 10 HDEE C#C[C@@H](NC(=O)NCCCN(C)S(C)(=O)=O)c1ccc(Br)cc1 1252457982 GXEPHRBVHPQRDO-CQSZACIVSA-N 402.314 1.704 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC)CC1 1286336973 SBXKQPUHWCPPOX-UHFFFAOYSA-N 402.499 1.483 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCN1CCOCC1 1286345465 HYKFELODVDXCRP-UHFFFAOYSA-N 411.506 1.898 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286386347 YSMCRXHUERKUOR-IAGOWNOFSA-N 424.567 1.350 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1286430427 NIZSYJGJGWQOQB-KRWDZBQOSA-N 412.494 1.171 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[C@@H](F)C2)CC1 1286490810 SWAJQHGHLBLWBC-DOTOQJQBSA-N 411.485 1.839 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1286717915 PRMNWGRXEPRBOI-INIZCTEOSA-N 414.466 1.573 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCNC(=O)C1)C(C)C 1286750784 HCQFMVGGJDIFJK-GOSISDBHSA-N 410.526 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(F)c1 1286786067 WHPYJRVOGKJWFY-UHFFFAOYSA-N 413.457 1.765 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(C)(C)O)n1 1290631908 SJQFWZSPIYRBRG-UHFFFAOYSA-N 422.493 1.446 30 10 HDEE C[C@@H]1CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291133308 NPCXKQPWENFFBS-SYWZAZHRSA-N 400.483 1.687 30 10 HDEE Cc1sc(=O)n(CC(=O)N(CCC#N)CCN2CCOCC2)c1-c1ccccc1 1292291449 XJYSFFBRKOPGAL-UHFFFAOYSA-N 414.531 1.960 30 10 HDEE CCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1292904725 MRCJYPDZQLSNSW-PSEQUABUSA-N 401.515 1.286 30 10 HDEE COc1cc(N)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Br 1293031650 FRYHIUDNNUNSBM-JQIJEIRASA-N 409.240 1.296 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCCc2c1cnn2CCO 1295983670 XCTNUJRHSGFABF-JKSUJKDBSA-N 405.499 1.956 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2Cn2cncn2)c1 1296904602 FNMLQNJZFYPGOQ-UHFFFAOYSA-N 413.434 1.693 30 10 HDEE CCOc1ccc(-n2c(SCC(=O)NCC#CCO)nnc2-c2cccnc2)cc1 1297016646 NZLZQLMAQSMFFQ-UHFFFAOYSA-N 423.498 1.932 30 10 HDEE CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1297572837 MNHLCVCWXFGMKI-GOSISDBHSA-N 411.510 1.802 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cn1 1300207944 BYDCQVJNDQQZHQ-HIFRSBDPSA-N 404.496 1.228 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC1CC1 1300319678 BVLBNUULDURSNW-ZDUSSCGKSA-N 400.508 1.254 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1300410141 LLGLRDSUJHDUFD-LSDHHAIUSA-N 421.548 1.628 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C1CSC1 1300608233 WFZHDGPIACPVIJ-UHFFFAOYSA-N 414.499 1.943 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C1CCCCC1)N(C)C 1300663513 DPDXWSKZWFQGFF-MOPGFXCFSA-N 416.570 1.826 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1300909685 ZOCVPYVULORVBM-UHFFFAOYSA-N 407.540 1.626 30 10 HDEE COCc1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)c1 1301166896 CCMKETZHXGRWGE-GOSISDBHSA-N 410.478 1.438 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301223610 ZMMBKGGYINEEJW-FRQCXROJSA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)on2)nnc1[C@@]1(OCC)CCOC1 1301518977 LFCGJYHTESVBPZ-LJQANCHMSA-N 404.471 1.165 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(COC)n2)C1 1301535104 HSNFLNKDCDNCTC-HNNXBMFYSA-N 420.539 1.849 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301557854 RTGQRAPSKXGXRX-IAGOWNOFSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOCC1 1301596368 MMUJKJSPMFZQJL-UHFFFAOYSA-N 408.572 1.202 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1302442903 ZKPYQKABXSGCEV-JOCHJYFZSA-N 423.521 1.681 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@H](O)C1 1303822908 GUVMKJOEKONVFE-IMJJTQAJSA-N 410.544 1.179 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1303950794 RRRXQUHXSOMWHO-SJORKVTESA-N 421.505 1.433 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]12CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1303953171 IEFZMOQSPQLGDT-HXUWFJFHSA-N 417.466 1.213 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C1CCOCC1 1309704106 XOAQRINKVZSHIF-AWEZNQCLSA-N 416.293 1.942 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 1313032554 JTTSBFQVSLNBLZ-NJAFHUGGSA-N 408.510 1.713 30 10 HDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314490837 CYMJWWISXIWETP-UHFFFAOYSA-N 424.509 1.030 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 1314556348 DPTYXPONYBAUAG-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1=O 1316119239 VKJZNFKGAOBHIK-MJGOQNOKSA-N 424.505 1.537 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1316320741 FCXLZGRFYWWUFK-GOSISDBHSA-N 412.494 1.869 30 10 HDEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)c2cccc(C(N)=O)c2)ccc1OC 1318787844 RUPQHDFHWZUTRV-OAHLLOKOSA-N 403.460 1.954 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1320367890 KOASUWCMRLOXMV-WBVHZDCISA-N 423.491 1.799 30 10 HDEE C#CCN(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1320593428 LDTCENHCBNDJPA-LSDHHAIUSA-N 401.529 1.321 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(C(N)=O)o2)c1 1354741898 WRYUDRBINTUACS-ABRFMWCMSA-N 416.459 1.843 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1358874771 CPJBDCUQRZPNIR-UWJYYQICSA-N 403.527 1.791 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCS(=O)(=O)C(C)(C)C)c1 1358901742 VLRPADCXWOCFNG-UHFFFAOYSA-N 417.535 1.856 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1358960617 INLXRGDBXBHQRJ-QGZVFWFLSA-N 417.535 1.717 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1358962137 KWNLFFTZCBEGNS-SFHVURJKSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCOCCOC 1358970965 CFGYOEQXPNFWFO-UHFFFAOYSA-N 420.311 1.782 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1359017248 YPYQSFJDOZLKJG-INIZCTEOSA-N 419.482 1.053 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(CSC)cc2)CC1 1359034843 DVHZGRHITHADRH-LJQANCHMSA-N 424.574 1.896 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1nncn1C 1359048454 RARBGONRAOXXDX-HNNXBMFYSA-N 414.539 1.351 30 10 HDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1359128398 STCIXTDTIWVKRS-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1359221990 VPQNRMODPPACEA-UHFFFAOYSA-N 406.531 1.456 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1359272628 YCNGKMVNJDGCQP-CYBMUJFWSA-N 408.553 1.821 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H]1c1nncn1C 1359302738 RUHZGDDJJREVMY-MRXNPFEDSA-N 407.482 1.036 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)CN(C)C2=O)C1 1359327032 PWCPCVLNZMSEAJ-IAGYGMIVSA-N 419.526 1.262 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nnc3c(=O)[nH]ccn23)cc1C 1439338505 HMWBGWVRBBPABS-UHFFFAOYSA-N 416.445 1.742 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1445522793 HVSKKYSGHLNCAI-LATRNWQMSA-N 420.469 1.590 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2ccccc2)[C@](F)(CO)C1)c1cc[nH]n1 1450437125 POHCRKNRXHMVIY-MGPUTAFESA-N 418.425 1.020 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1S(=O)(=O)NCC#N 1455918310 PBLQPIBMJBRGOI-NVALYEJGSA-N 421.519 1.499 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@H]2C[C@H](O)[C@H](O)C2)c1 1455985596 IDBRJDGEJPEJCD-XGWQRUHWSA-N 411.483 1.903 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)cn1 1456757644 AOKYWOYDWXJXMU-RBUKOAKNSA-N 413.503 1.365 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C[C@@H](O)COc2ccccc2C#N)CCO1 1460561819 XDTCAXNVOVIIHP-UTKZUKDTSA-N 406.479 1.357 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1460696828 URHSISXIGOLJSJ-ZJSXRUAMSA-N 421.497 1.801 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(Br)c(C#N)c1C 1461055893 GJPDXAWFMVEVCA-OAHLLOKOSA-N 407.268 1.695 30 10 HDEE C#CCN(C)S(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1463656717 JJEYMLXZKDOLMB-UHFFFAOYSA-N 407.229 1.640 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464920690 AONLCPONFBEAPD-BUHFOSPRSA-N 402.398 1.179 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@@H]2c2cccn2C)cc1S(=O)(=O)NCC#N 1466770449 NUGAWJICCSSFOS-QGZVFWFLSA-N 402.476 1.349 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1470304773 WLANIVFCKSMTDV-OXJNMPFZSA-N 405.499 1.851 30 10 HDEE Cc1nc(C(=O)NCCOC(F)(F)C(F)(F)F)nn1-c1n[nH]c(C(F)(F)F)n1 1471709508 SAMOYJSLYCCILK-UHFFFAOYSA-N 423.224 1.614 30 10 HDEE O=C(c1cccn(CC(F)(F)F)c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618615 AEKFOJDOKORJKI-UHFFFAOYSA-N 423.347 1.928 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC#CCN1C(=O)c2ccccc2C1=O)CCO 1473363359 BWHNOVHTYRGSCO-UHFFFAOYSA-N 401.463 1.105 30 10 HDEE C#CC1(O)CCN(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1477655561 CDGVEABDDCRDEG-UHFFFAOYSA-N 405.520 1.257 30 10 HDEE Cc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1478788377 IVAZNNFVBPZZAU-BBRMVZONSA-N 412.309 1.837 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1478896051 JQRNAECOSRKYJW-HNNXBMFYSA-N 407.492 1.276 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1478913046 WIQZCMIPGRNCFO-UHFFFAOYSA-N 401.492 1.658 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOCC1CCOCC1 1499165367 VWVSHDJGCZUBCM-LJQANCHMSA-N 402.543 1.850 30 10 HDEE COC[C@@H](F)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1504607906 KLIMYZCTOLAWPZ-KRWDZBQOSA-N 400.458 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc2c(c1)OCO2 1507513089 HWGLOGWUURQNNW-OAHLLOKOSA-N 411.462 1.780 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507632308 YZOVQJGQNQNDDA-CABCVRRESA-N 405.549 1.653 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccoc2)n1 1507716278 JBHHEBDTRIVTAT-GOSISDBHSA-N 423.477 1.353 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OC)c2)CC1 1507739523 QXPPOIIOLLCYQK-LJQANCHMSA-N 423.517 1.805 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1507754137 LMEJVOAJARNMEV-MRXNPFEDSA-N 407.540 1.181 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1507844399 JITYZFNIHMSOEU-SJORKVTESA-N 412.556 1.636 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1507968681 XROFFSRYECTFLH-WBVHZDCISA-N 406.556 1.813 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Nc2cccnn2)CC1 1508079635 AYBDAFAOOKRSHV-UHFFFAOYSA-N 407.482 1.446 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H](C)C[C@@H](C)C2)n1Cc1ccc(C#N)o1 1511991251 YBUMQICBUKGTNV-MCIONIFRSA-N 406.512 1.884 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(CC)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1513035325 GQEJOHYKWSGARU-VXAPJYQHSA-N 415.542 1.848 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1 1514602207 XTXLUBYOIBXOCY-UHFFFAOYSA-N 418.519 1.447 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1520098358 ROIQEACGEYXCPU-UHFFFAOYSA-N 417.485 1.155 30 10 HDEE N#Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1Br 1524011814 AXOFEKHIKDLZRX-UHFFFAOYSA-N 419.260 1.998 30 10 HDEE C=CCOCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1529054172 KYUBUQQUWGWFOT-UHFFFAOYSA-N 402.900 1.683 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(I)c([N+](=O)[O-])c1 1532448482 JMKJGFQBRSMHHW-UHFFFAOYSA-N 417.159 1.728 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OCC 1533746891 RSASNILCTMWJMJ-OAHLLOKOSA-N 408.476 1.867 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 1534034948 ISMHSASTHHZKBN-AXHMDWHKSA-N 410.536 1.576 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1539016685 VDGVCBGWCWCIKK-FUHWJXTLSA-N 421.567 1.959 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539134396 VRQXLHGUJBJSET-GOSISDBHSA-N 419.489 1.698 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)OCCCO2)[C@H]1CCS(=O)(=O)C1 1539205025 FDMDLPHOXJPNOJ-KRWDZBQOSA-N 416.503 1.423 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539220447 SKKDTCYRLMPVGE-KRWDZBQOSA-N 417.535 1.555 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)OC1CCCC1 1539496876 IVGQOQOZGMKCDH-CYBMUJFWSA-N 401.558 1.565 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539532973 IFUGSDNDPXXECP-CUSZFKRNSA-N 419.551 1.083 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1540007004 IYDZLDISJINJRI-QGZVFWFLSA-N 421.509 1.762 30 10 HDEE C=CCCOCCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1540026947 MZUNNQCVIGLNTK-UHFFFAOYSA-N 419.551 1.928 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1540293744 ALESOSHZOVCXGG-QAPCUYQASA-N 402.495 1.477 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H]3C(=O)NC3CC3)CC2=O)cc1Cl 1544388418 CUEFQYWJGBXERC-GUYCJALGSA-N 400.866 1.834 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1544714623 QEIWQVGDIRHOCT-HOTGVXAUSA-N 410.478 1.289 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3cc(C#N)[nH]c3C)cc2)CC1 1546289355 HBGFSGZEHUWIDN-UHFFFAOYSA-N 423.517 1.710 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCOC2)c1 1555987168 BWIVRTMDQWVGOL-INIZCTEOSA-N 401.492 1.478 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@H]2CO)CCO1 1555994664 YHSXROCNGQSGMP-ZWKOTPCHSA-N 411.510 1.306 30 10 HDEE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@@H]1CCN(O)C1=O 1556749496 INNLSWPZSRCTCM-LWMMSDEHSA-N 411.530 1.836 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC)c2cccc(C)c2)cc1 1558053199 BIYBFFMHIFSSPG-IBGZPJMESA-N 414.483 1.941 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 1560139804 FYCMMSWPEBTENR-UWJYYQICSA-N 409.527 1.770 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 1564957814 CRWIPYSOELOXJD-GUYCJALGSA-N 402.455 1.412 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)C1 1565346208 JWHQENOMXSQRDM-FQEVSTJZSA-N 412.534 1.634 30 10 HDEE N#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1cccc(C(F)(F)F)c1 1565630903 QWHWXBGCYAGJOP-LBPRGKRZSA-N 407.356 1.304 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1568992333 DYRGSWIKZBVSQR-WMLDXEAASA-N 411.480 1.581 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)N(C)C)CCCCC2)s1 1569274166 BLRGHMXVTNIVES-UHFFFAOYSA-N 413.565 1.662 30 10 HDEE CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1569620144 QOXGWKIHZAPCFK-JVMRMLDLSA-N 415.446 1.288 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCc2ccccc2C1 1583662367 ZASHVUACWJYDJH-KRWDZBQOSA-N 418.540 1.999 30 10 HDEE N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)nc2n1CCOC2 1586253925 FVKJUJXWIVVDFS-UHFFFAOYSA-N 400.460 1.576 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2c3ccccc3C(=O)N2C)s1 1587312768 FHGQHGIQRDISTO-INIZCTEOSA-N 419.528 1.698 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC 1587594419 WGNMWIGHKSWSCF-GFCCVEGCSA-N 411.915 1.614 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588054112 KRIVOESAEWFMSJ-JKSUJKDBSA-N 408.524 1.061 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cnc(C)s2)CC1 1588923746 LAJMQUJYNPNZOG-UHFFFAOYSA-N 422.518 1.514 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)COC)CC1 1589568294 IVQUSLNMJFUCMB-OXJNMPFZSA-N 421.542 1.527 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CC)C2)C1 1595665481 WRWDOPLJOSTJDQ-ROUUACIJSA-N 402.543 1.637 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1610043684 HIRLIIVHHYURGN-ZHRRBRCNSA-N 424.505 1.726 30 10 HDEE N#C[C@@]12CN(C(=O)CCSc3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 1611165652 RIWOPJJUWGNPNC-UGSOOPFHSA-N 408.501 1.337 30 10 HDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1616059304 CKBJSYKZUGTMHJ-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@H](O)CC(F)(F)C2)C1 1616827730 JUTDKCMEELPWCY-CYBMUJFWSA-N 400.223 1.985 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1616870274 KPQIIDWRSMTINA-RBUKOAKNSA-N 414.524 1.099 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C#N 1620041799 UBBYSYHJTVBFCN-OAHLLOKOSA-N 410.482 1.743 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2c[nH]nc2C(F)(F)F)CC1 1622469539 HMGUYGFWMDKUHO-UHFFFAOYSA-N 403.361 1.950 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)C(=O)OC(C)(C)C 1623203544 QRIURZAPKYLTGE-WOJBJXKFSA-N 415.534 1.856 30 10 HDEE N#Cc1cn(CC(=O)Nc2nc3c(Br)cccc3s2)c(=O)nc1O 1623537730 GDKSMLVVFCDOHJ-UHFFFAOYSA-N 406.221 1.831 30 10 HDEE CN1C[C@@H]2CC[C@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 1623651928 FIVLCQMRNXLRNR-IHPCNDPISA-N 416.547 1.415 30 10 HDEE C=CCC[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1623969916 WSUGBXUAYPXQLU-CYBMUJFWSA-N 405.314 1.561 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1[S@@](=O)C(F)(F)F 1628385528 AQAQCYDNNRONQG-XBGCBYBZSA-N 401.366 1.570 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1ccc2c(c1)OCCN(C(=O)OC(C)(C)C)C2 1628543178 SUBWIRCDWFDYRD-UHFFFAOYSA-N 403.435 1.955 30 10 HDEE COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1631231356 MQKDFFBNDKYLCC-IIBYNOLFSA-N 423.473 1.543 30 10 HDEE COc1cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc(OC)c1O 1631510342 NEESDQMGCTXLGE-UHFFFAOYSA-N 408.407 1.776 30 10 HDEE COc1ccc2c(c1)OC[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1632290024 DVWPLCXAKNXRFL-ZDUSSCGKSA-N 404.419 1.865 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1632533330 UUULWEFCXFJJQZ-JQWIXIFHSA-N 412.288 1.600 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccno3)CC2)ccc1F 1632986646 NZQFSJAARDPVNB-UHFFFAOYSA-N 408.455 1.236 30 10 HDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N1CC(O)(CC#N)C1 1638886159 AIDKQLLZUQBMJL-OAQYLSRUSA-N 401.463 1.848 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(N4CCCC4=O)C3)C2)C1 1639369646 DOISHBQXYJXRBT-DBWCEAHUSA-N 402.495 1.606 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1N1CCC(C(=O)NCCCN2CCOCC2)CC1 1639516622 OHPKROYVKOAEQB-UHFFFAOYSA-N 401.467 1.521 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc12 1639646588 SFCLJRMGMODQFE-CYBMUJFWSA-N 416.503 1.926 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)n1 1639991649 AJQTWTWHPMBWPW-GOSISDBHSA-N 419.526 1.042 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(CC(=O)OC(C)(C)C)CCC1)c1cc[nH]n1 1640712134 TWLHMDPBPBHVHG-UHFFFAOYSA-N 408.455 1.464 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccnc(-c3ccccn3)n2)c1 1641825016 SONJKIZFUUWLEV-UHFFFAOYSA-N 408.443 1.005 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cc(C(=O)OCC)nn3C[C@H]2C)c1 1644567447 TXKKVSQDGSYPEB-CQSZACIVSA-N 409.446 1.594 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCNC(=O)CC34CCC4)CC2=O)cc1Cl 1644933890 XMPRQGMCAIOAMX-CQSZACIVSA-N 400.866 1.836 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1 1646345463 IGIXWXZUPPLXRW-KRWDZBQOSA-N 403.504 1.504 30 10 HDEE COC(=O)CCC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1652548573 HNNLXIKYGRBDMY-UHFFFAOYSA-N 407.492 1.497 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCO[C@H](CC(N)=O)C1)CCCC2 1654418853 PIAJMOFSWOGSDS-QGZVFWFLSA-N 421.501 1.742 30 10 HDEE CN(CCN1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1)Cc1ccccc1 1657261204 CYCHGRSNFYTUNA-QFIPXVFZSA-N 400.567 1.807 30 10 HDEE CCc1nncn1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1663301234 ICOUXLSZVWNCLO-UHFFFAOYSA-N 402.249 1.592 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 1666398581 VKDZZTRAWGRBOA-UHFFFAOYSA-N 401.511 1.320 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1668852643 VXMBARILJZVWGC-UONOGXRCSA-N 406.501 1.050 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC2)c1N 1669657065 DAXRKEPGAHVICO-CYBMUJFWSA-N 412.516 1.005 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)[C@H](C#N)C1 1681226256 DJIBCXBDVYTRDF-GDBMZVCRSA-N 404.467 1.793 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1689913834 WCSLQCLJWUCQKR-ZDUSSCGKSA-N 421.527 1.377 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1690057689 FTVJHWZOFMIKOU-UHFFFAOYSA-N 414.485 1.753 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)NCCC)CC1 1690140300 UDCXEYIEAXGQQC-UHFFFAOYSA-N 422.533 1.827 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1690261745 YMKPZCXRGJVRCZ-INIZCTEOSA-N 401.515 1.576 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1690299207 JMVVKNUOYCLOCG-GOSISDBHSA-N 420.558 1.264 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1690526728 CTLJJLWRLCZTLH-QRWLVFNGSA-N 423.514 1.360 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690742754 ZYRDXVABWCJZJU-HZPDHXFCSA-N 418.567 1.740 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCO 1691003716 KWOXEGNFHBQKDE-MAUKXSAKSA-N 401.467 1.785 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1696030477 FZHSKUAQGDVQOE-DYESRHJHSA-N 420.558 1.515 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1696749365 CRDVKAROERPLDM-GOSISDBHSA-N 407.482 1.899 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCCS(=O)(=O)C2)cn1 1696861416 DXRDSVIFIKDYBB-BEFAXECRSA-N 417.539 1.633 30 10 HDEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1697088337 CTSJZLQXPYEQBN-SFHVURJKSA-N 412.494 1.583 30 10 HDEE COCCCOC1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1698011668 KLITWXBTVYHJLK-VHEBQXMUSA-N 418.498 1.135 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@@H]2CCCO2)cc1 1698488194 MCIPKFNYBUTTPR-SFHVURJKSA-N 410.478 1.339 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1698494350 VHINRHZYTDHQJM-NEPJUHHUSA-N 407.368 1.428 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705523431 XADBXHVXBFKTLQ-FHWLQOOXSA-N 419.526 1.147 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1705531291 FECUBYOTDOUFQL-OAHLLOKOSA-N 421.505 1.788 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705553509 QWOZXOUBCICWHH-WOJBJXKFSA-N 422.533 1.304 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705560108 IKKMYMKNPHJPLJ-DOTOQJQBSA-N 417.535 1.870 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1Cc1nnc2n1CCC2 1705600786 MDLHYAVQXQCIPI-UHFFFAOYSA-N 415.501 1.949 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1705604230 IFNWSBNTCQZWSU-AWEZNQCLSA-N 421.523 1.413 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC2(N(C)C)CCOCC2)CC1 1705640936 KPSYSWKQFYWTKB-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705665175 MDOUHVAESZFAIW-PMACEKPBSA-N 421.567 1.387 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1705740732 VPPBQNSAMYVOOG-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705818067 ZLGWNZBDLUBGFH-SJORKVTESA-N 411.572 1.904 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC2CCOCC2)CC1 1705893563 ALLRQDRRWPOBGL-OALUTQOASA-N 405.543 1.737 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](COCC)C1 1705906076 RCZYRPCOVYNDOI-OAHLLOKOSA-N 404.540 1.799 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2nccs2)nnc1[C@]1(OCC)CCOC1 1705907899 BGDHDHGWIZYIAW-SFHVURJKSA-N 406.512 1.325 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CN(C)C2=O)C1 1705927472 ZDLGQXBBBXKRQR-OXJNMPFZSA-N 416.551 1.893 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1710992337 BNSBQYAYKFWCRP-PKOBYXMFSA-N 404.478 1.767 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCSC2)CCO1 1711362805 GEJPGQSKYYNFRH-NVXWUHKLSA-N 412.519 1.521 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1722297311 YXLGMXZDPTWRHA-DLBZAZTESA-N 407.584 1.760 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(-n2cccn2)cc1 1722357136 QQNBYJNUKSIJCK-UHFFFAOYSA-N 403.490 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(C)=O)nc1 1722387142 HJYMAOWWXKIHFF-UHFFFAOYSA-N 407.478 1.281 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)CC 1722392465 MSWYJJAGZZIKSB-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC=C 1722420075 FPPWFMASSCEVLE-UHFFFAOYSA-N 421.299 1.424 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1722424372 KTCRWCIAHJRHGY-MRXNPFEDSA-N 403.508 1.251 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN2CCCC2)CC1 1722440799 KGJWZAKJEXMHQV-PMACEKPBSA-N 416.570 1.243 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2c(C)noc2C)CC1 1722450421 ICAYQSRKCFTQBK-UHFFFAOYSA-N 414.510 1.628 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1n[nH]c(C)n1 1722469147 VDXMUCCBYLCIEN-NHCUHLMSSA-N 413.526 1.980 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1722701447 QCHBKTMIJVUPMN-AWEZNQCLSA-N 409.494 1.353 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCSC2)C1 1722723093 WBIHULHGOHXEKA-FXAWDEMLSA-N 401.536 1.913 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccoc1 1723617996 OICCAHAJCLSQKX-UHFFFAOYSA-N 420.477 1.651 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)C1 1724002668 HVNPYUUHNPQSIT-UWJYYQICSA-N 415.542 1.206 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 1726326366 FTMSZLWQSHSGAK-HXUWFJFHSA-N 422.518 1.921 30 10 HDEE Cc1nnc(N2CCN(C3CCC3)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726405921 JHHQMHRPOLKTIZ-MVZUJROASA-N 413.526 1.424 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1CCN(C(C)=O)CC1 1740654577 MDQZGEWZNCBJEY-UHFFFAOYSA-N 404.518 1.985 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC[S@](=O)CC 1740676022 NTIPIGNNTZSOSC-GDLZYMKVSA-N 419.526 1.964 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1 1740791181 XHGMMULVHWNJHK-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=C(Cl)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1740816229 ZAGLLOGUWSTMSY-INIZCTEOSA-N 406.936 1.554 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740959446 VVMBLWUDEJVLMP-INIZCTEOSA-N 422.497 1.087 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncn(C)n2)C1 1740983475 JOYGHVHANHVWOZ-SFHVURJKSA-N 409.494 1.858 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(F)cc1 1741925063 GGIPVEOTHXQDAS-UGSOOPFHSA-N 424.477 1.712 30 10 HDEE CCOCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1747352163 KTQUGMBXRCSGDC-MRXNPFEDSA-N 418.885 1.627 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(F)F)cc1 1748791143 PIGWFLQMCYUPBW-CQSZACIVSA-N 410.446 1.899 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1748818771 GBNMVLXHZZSQMB-MRXNPFEDSA-N 418.494 1.160 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1748818993 IEXAHMIYQGRAIY-NVXWUHKLSA-N 419.576 1.642 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1 1748914630 MKCNAMKVJSKTCT-FQEVSTJZSA-N 402.520 1.969 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cnnn1C 1748950942 RAPBNUFPIIZQSG-UHFFFAOYSA-N 417.420 1.809 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1749159055 NXRNCRUFQOBWJI-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1(C)C 1749221635 NUGGUQPRUNDJIO-GOSISDBHSA-N 422.493 1.767 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749262296 MBINSDJAOVHADJ-NVXWUHKLSA-N 405.934 1.978 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(C(C)=O)CC1 1749671710 HADLQWAVGXLGEW-UHFFFAOYSA-N 410.522 1.538 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(=O)NCC)C1 1749717564 MHHVCGIZPYBISF-MRXNPFEDSA-N 418.542 1.344 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1Cc1ccc(C#N)o1 1750974155 GEVNSYGAGQKUEX-XOBRGWDASA-N 414.466 1.313 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1751278487 VSIJPUIUIKLGNO-QRWLVFNGSA-N 412.498 1.455 30 10 HDEE C#CCN(C(=O)C[C@H]1CCCOC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759987800 YZORZPYNDYWVKJ-UCTAPSKPSA-N 400.519 1.679 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1760154387 DJQLPAUJYJKQHL-QZTJIDSGSA-N 405.568 1.658 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCC 1760168007 KFUYLOWOOXYTKT-IBGZPJMESA-N 405.510 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1nccs1 1760170940 SNXBYECKGKAUNH-UHFFFAOYSA-N 405.487 1.961 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760272263 DTSVLICHKZWGQJ-AWEZNQCLSA-N 419.511 1.052 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(N)=O)C1 1760324989 OEWKGEBBLPMBMY-AOIWGVFYSA-N 413.526 1.433 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760373017 DNFBTUVYQVPVDE-NSHDSACASA-N 413.887 1.382 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1760461445 TZVOWYVOFPMOOR-UHFFFAOYSA-N 409.494 1.731 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1760541661 GAUMVWWLRSIJMP-IRXDYDNUSA-N 412.494 1.496 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1761359648 XVTOBFYTDXBLEI-CQSZACIVSA-N 403.450 1.766 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2Cc2ccc(C(N)=O)nc2)cs1 1762263426 VLXGQEFTRRXKFE-LBPRGKRZSA-N 410.507 1.772 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCCOC1 1769368454 CTDSCDLPOGBCSZ-INIZCTEOSA-N 418.523 1.229 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C)n1 1770049610 DSFWEFUEYMUPDW-SJLPKXTDSA-N 400.483 1.677 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1770106463 HOBVQBHBQCZVBQ-SFHVURJKSA-N 412.494 1.537 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nc(C)no1 1771187598 GGDSKHPKPJPHPR-FZKQIMNGSA-N 407.450 1.768 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1771529425 NVDNILANUABULU-SJCJKPOMSA-N 424.889 1.870 30 10 HDEE N#CCS(=O)(=O)NC1CCC(Oc2ccc(I)cn2)CC1 1848970329 HHQQEIBKYDYMRQ-UHFFFAOYSA-N 421.260 1.819 30 10 HDEE CCCn1c(C(=O)N[C@H]2CCc3c(C#N)cccc32)cc2c(=O)n(C)c(=O)n(C)c21 1851466425 MCCIRSLURHZRPB-KRWDZBQOSA-N 405.458 1.738 30 10 HDEE N#Cc1ccc(F)c(C(=O)Nc2nc(N3CCN(c4ccccn4)CC3)n[nH]2)c1F 1851655398 FZSQHUJQQQOREV-UHFFFAOYSA-N 410.388 1.928 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCN(CC)CC)C3(CCCCC3)C2=O)CC1=O 1853947183 KPKAXMAXQRCECZ-IBGZPJMESA-N 418.582 1.736 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccnc(OC)c2)C1=O 1854059997 WXJSSZAJRJFKNB-SJORKVTESA-N 400.479 1.330 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)C1=O 1854339357 TWCRFOOWTQQZBY-CZUORRHYSA-N 418.448 1.422 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(S(=O)(=O)CC(C)C)c3ccccc32)CC1=O 1854790970 ADOXIIGDIFWALU-OAHLLOKOSA-N 419.503 1.387 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1855823923 DCZZZTXVTMIXQH-ROUUACIJSA-N 411.568 1.606 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC[C@H]4CCCO4)C(=O)C3)C2)s1 1856327025 PHSGZHFCGDJHRU-IAGOWNOFSA-N 416.547 1.824 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CCC1=O 1856953111 XPURBWKYPDRGLV-ZWKOTPCHSA-N 424.567 1.191 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)CN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1857215363 MDNKVHPIXUNYPY-INIZCTEOSA-N 409.467 1.986 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@H]1CCN(C)C1=O 1857265128 SWVJMUIJEWNRMM-PBHICJAKSA-N 403.454 1.542 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857306501 UQNLHQXKXGYJQY-SFHVURJKSA-N 419.503 1.222 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)c2cncc(F)c2)c2ccccc2N1S(=O)(=O)CC#N 1857460209 YYDQQAXBQLNJMH-GFCCVEGCSA-N 402.407 1.846 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2cccs2)cc1 1858970807 LBBKQMKEUCCXLA-UHFFFAOYSA-N 407.517 1.823 30 10 HDEE CCCSc1nnc(CNC(C)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874434467 GXAMHHROQBTVQA-DJKKODMXSA-N 420.451 1.978 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1890029909 SKRQOJDAQGVROW-UHFFFAOYSA-N 404.467 1.450 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1991831115 DBQXYTQRACSANC-XOBRGWDASA-N 424.498 1.330 30 10 HDEE CC1(C)OB(c2cncnc2N2C[C@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2052551692 IQQRCYYPMNUDFY-WOJBJXKFSA-N 422.338 1.865 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 2054404355 UUQMQSRKIKLESM-KRWDZBQOSA-N 406.508 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 2118162013 GRRALJIEWORJIC-GFCCVEGCSA-N 401.510 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H](CO)C1 2172900807 RQGLQHOWXCRWDX-GJZGRUSLSA-N 401.529 1.608 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174778596 YWZXZCBKDGSSIJ-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174778968 DGFFVOCBFAHIJG-HUUCEWRRSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174788125 BBNTWOMIKGZUSW-PTFIGZPYSA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243436470 IISYVEOFLATJKF-RYUDHWBXSA-N 409.292 1.060 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243702228 MGGHCGLXSAHUAX-CABCVRRESA-N 408.304 1.810 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)[C@H]3CCN(Cc4ccccc4)C3)s[nH]2)OC1(C)C 2244015768 UHOILBOMBFSJMG-HNNXBMFYSA-N 414.340 1.720 30 10 HDEE Cn1cc(C(=O)N(OCc2ccccc2)C2CNC2)c(B2OC(C)(C)C(C)(C)O2)n1 2247821990 ASZYFIAEGIJYMW-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056843 SKENVCFCGXVORS-UHFFFAOYSA-N 420.319 1.811 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2cnn(Cc3ccccc3)c2)n1 2255654232 UJHSWUVJHVCXQX-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CC1(C)OB(c2ccc(CNS(=O)(=O)C3CC4(C3)OCCO4)s2)OC1(C)C 2263514686 FLXWUGYLRDSUCL-UHFFFAOYSA-N 415.342 1.372 30 10 HDEE C=CC1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2267357554 AXGWKJRXAZMTMV-UHFFFAOYSA-N 404.750 1.507 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C[C@@H]3CO)cc2Cl)OC1(C)C 2267706002 PRWPWYRYJBIFRB-VHSXEESVSA-N 407.750 1.607 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267710122 OAQLGVHDCLPNQN-YDGUKXNOSA-N 407.388 1.234 30 10 HDEE CN(C)[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H]1O 2281932378 KPVQDQHOYYQQQF-NEPJUHHUSA-N 400.737 1.448 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN(C)[C@@H]1C 2282310523 VJMFHUOJPMFPDR-YPMHNXCESA-N 400.375 1.727 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCNCC1 2282329167 IVDDGPZXBHGXEV-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[S@]1=O 2282333033 JQBLWYICIDNPGX-RUZDIDTESA-N 419.399 1.579 30 10 HDEE CCNC1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282335860 VOVITMOCHCPHMO-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341063 NDAVAXZPINMTBW-NSHDSACASA-N 402.347 1.192 30 10 HDEE COC(=O)C1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282342133 CNVFWMXPWVXPKZ-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N=S2(=O)CCCCC2)OC1(C)C 2282415381 GXIRTHDTCZVGNO-UHFFFAOYSA-N 420.387 1.924 30 10 HDEE CCN(C1CCNCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282416413 VRKLMRUPPFBHCB-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCOC(=O)CN(CC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282419838 YHSVSGRGNWRQQW-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CN(C)CCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498735 IRYJRQLFXFJAEO-UHFFFAOYSA-N 403.379 1.156 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282587691 AUMWUCBIASZMDO-NWDGAFQWSA-N 401.359 1.941 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282611600 NGTXCSDPXCDKLT-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CS(=O)(=O)C1(C)C 2282624356 LULXSZIYDYWMKC-LLVKDONJSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3C[P@@](C)(=O)C[C@@H]3O)s2)OC1(C)C 2282857825 NHXSUSYOLZEAPN-WVMLHGJZSA-N 421.286 1.062 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401479 AWRQQQGZRACYKY-ZWNOBZJWSA-N 403.331 1.825 30 10 HDEE CC(C)(NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284409735 MXJZUKNNEYIEID-UHFFFAOYSA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(C)CCC[C@H]2O)OC1(C)C 2286910408 CAVABMAZBSVATR-DYVFJYSZSA-N 401.359 1.877 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2300230277 HUJHIPBHDTUEBW-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CCCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1 2330743637 GNMGZECNKJVPGV-UHFFFAOYSA-N 418.523 1.943 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172216 VYJOUXYQBBEVGM-KUHUBIRLSA-N 401.525 1.780 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2365196794 QCMPYWSDOPHJLR-KUHUBIRLSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(N(C)C(=O)OC(C)(C)C)COC1 2367787299 KMWDFPKEEUBLOT-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE COC1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCN(C(=O)OC(C)(C)C)CC1 2367802837 FOPPSMQHGIGJRK-OAHLLOKOSA-N 400.541 1.701 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2367808691 FTDPGDWYHZPHJY-LIRRHRJNSA-N 400.541 1.306 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 2367826477 YUUPRLKZYBMYHH-BZUAXINKSA-N 400.541 1.306 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3nn4c(=O)cc(C)nc4s3)cc2C1=O 7174931 LNPIYPDUCMOAKT-UHFFFAOYSA-N 410.411 1.598 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C(=O)N(CC)CC)cc2)CC1 27559528 POZVODXULZOUON-UHFFFAOYSA-N 415.538 1.027 30 10 HDEE CCN(C/C(N)=N/O)S(=O)(=O)c1cc(Br)ccc1Br 45062252 WHURIJOGMDWDKX-UHFFFAOYSA-N 415.107 1.969 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)CC1 53310893 OSWPGPOSXOXIFN-UHFFFAOYSA-N 413.518 1.716 30 10 HDEE CC(=O)N1CC(C)(C)Oc2ccc(S(=O)(=O)Nc3n[nH]c(CC#N)c3C#N)cc21 71538598 PLCDWSDKCGHJPM-UHFFFAOYSA-N 414.447 1.672 30 10 HDEE CC1=CC=C/C(=C2\C=C(C(=O)N(Cc3ccco3)[C@@H]3CCS(=O)(=O)C3)NN2)C1=O 138692201 RJMNDZZUPJVLSR-UPTRSRDDSA-N 415.471 1.126 30 10 HDEE CCCOc1c(OC)cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1OC 169883445 LYJKDUVEOWMJMJ-GRSHGNNSSA-N 422.463 1.632 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)F)C1 219956021 APBOBIYVMPIBPG-LLVKDONJSA-N 408.386 1.638 30 10 HDEE C[C@H](C(=O)NO)N(Cc1ccsc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 247499056 DYLJVENBAFFLNJ-LLVKDONJSA-N 418.518 1.236 30 10 HDEE Cc1cccc(CN(Cc2cccc(C)n2)S(=O)(=O)N2CCO[C@H](C#N)C2)n1 409500934 PULANIPKRPMYFR-LJQANCHMSA-N 401.492 1.565 30 10 HDEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 409725659 HXNWGMYYJVRTJP-JKSUJKDBSA-N 410.478 1.411 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2cc(Cl)cc(Cl)c2)CC1 427506471 OEAKXVUVVNXFGE-UHFFFAOYSA-N 406.335 1.743 30 10 HDEE Cn1cccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 442199670 JRXIQKNZDCZXJN-IBGZPJMESA-N 417.473 2.229 30 10 HDEE CCOC(=O)CC1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCC1 447859266 UHGMSXCEDMPHPF-UHFFFAOYSA-N 407.492 1.874 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460580532 WXCAKRKYBSCSSX-RDJZCZTQSA-N 410.482 1.319 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)s1 464765132 ZKTTWHJIIBVJSD-MRXNPFEDSA-N 416.503 1.753 30 10 HDEE COCCOc1cccc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 464830697 QSENSUYIIJHIGK-INIZCTEOSA-N 410.478 1.794 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 466102625 LARXJSNCSQUYFB-UHFFFAOYSA-N 414.487 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@H](C)N(C)Cc2ccccc2)CC1 473011748 VSSVRDYPJJCHNF-IBGZPJMESA-N 401.555 1.526 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2Cc2ccc(F)cc2)CC1 474701217 DGSIOYFZBXGVHJ-FQEVSTJZSA-N 402.514 1.627 30 10 HDEE N#C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(F)cc1 479320704 VPIVWRPTZWXPFU-QUCCMNQESA-N 406.417 1.982 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])CC1 498485899 QYQDPDZFIONMSP-UHFFFAOYSA-N 409.874 1.420 30 10 HDEE Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2ncccc2C#N)CC1 508558839 ULVAWXMJQWJYLY-GOSISDBHSA-N 403.446 1.921 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508881742 SUMNKCFGUYXZJU-FQEVSTJZSA-N 422.533 1.885 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)c(F)c1 511396073 TXPKEZRMBXGLEU-UHFFFAOYSA-N 416.496 1.448 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2C)CC1 513422117 RKEUUEGOFKITKN-INIZCTEOSA-N 404.511 1.703 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)CC1 514846354 AXSJZHYOTAICPN-UHFFFAOYSA-N 421.497 1.743 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)N2CCC(Cc3ccccc3)CC2)CC1 517663471 GLQDSVVULXTXFL-FQEVSTJZSA-N 412.578 1.776 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 524693682 HESPFHWWJTYMJD-KRWDZBQOSA-N 405.520 1.626 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 535230938 UJBBCJZEUODCQL-HZPDHXFCSA-N 424.505 1.349 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCOC[C@@H]1c1noc(COC)n1 543657749 QEBXEUNYGRYKQK-OAHLLOKOSA-N 417.422 1.718 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H](C#N)c2ccc(F)cc2)[C@H](C)O)cc1 543715468 NSPRCEDMXBIIKC-KKXDTOCCSA-N 405.451 1.543 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 544476673 GWVCOCPRQNDVKZ-SFHVURJKSA-N 401.529 1.426 30 10 HDEE CC1=CCN(CCNC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 545875789 QMJKXLIZEFBISV-UHFFFAOYSA-N 412.881 2.104 30 10 HDEE COc1ccc2nc(CN3CCN(S(=O)(=O)c4ccccc4C#N)CC3)[nH]c2n1 546228681 RKRDVFJOMFHANO-UHFFFAOYSA-N 412.475 1.345 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(CN4C(=O)CNC4=O)c3)CC2)n1 546918984 XJWHJEYWRVUJLE-UHFFFAOYSA-N 419.445 1.359 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)C(=O)NCCCN1C(=O)COc3ccccc31)CC2 550153842 HJUXGQLKIGZSJF-UHFFFAOYSA-N 404.426 1.379 30 10 HDEE CN1C[C@@H](Nc2cc(N[C@@H]3CCC(=O)N(C)C3)c([N+](=O)[O-])cc2C#N)CCC1=O 553080686 VVJBCOTZHUKGKN-UONOGXRCSA-N 400.439 1.532 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@@]3(CCCc4sccc43)C2=O)nc1 568316941 WMPGXAYRLQFWSA-GOSISDBHSA-N 416.484 1.572 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CCO1 574491275 LNRDKWOIUUXROB-UCIXUQDCSA-N 417.465 1.217 30 10 HDEE C=C(C)CN(CCNC(C)=O)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586150384 CMLQSHAVJGMXPU-UHFFFAOYSA-N 409.508 1.525 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(OCCCO)CC2)cc1 674981873 WBQCMHPHRZGQOG-UHFFFAOYSA-N 411.524 1.888 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703999207 UWIMBNNTAGKBJG-UHFFFAOYSA-N 405.520 1.183 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OCC)cc1 727416488 RTXYHDFKEOWGBJ-UHFFFAOYSA-N 421.478 1.696 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(CO)c(F)c1 728209163 GDPCPZMARINGJW-UHFFFAOYSA-N 405.451 1.453 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CN2CCN(C)CC2)C1=O 730144144 XUZLZLOJIBUAHX-RHSMWYFYSA-N 421.542 1.529 30 10 HDEE COC(=O)CCCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732895198 WBPUEUXTUONOEV-KRWDZBQOSA-N 414.462 1.156 30 10 HDEE C=C(COC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OCC 734025320 KWQDTKMOPCXGAZ-HUUCEWRRSA-N 411.476 1.761 30 10 HDEE CC1(C)C(=O)NC(=O)N1CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 735943318 HOKUWQAHWZFYRK-UHFFFAOYSA-N 406.826 1.460 30 10 HDEE CSCCc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737304922 DIYZOLPLNLNAKH-MSUUIHNZSA-N 402.476 1.173 30 10 HDEE CN(CCN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1)Cc1ccccc1 742402311 LGKVIAVIJPEGND-UHFFFAOYSA-N 413.547 1.460 30 10 HDEE COc1ccc(COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1C#N 747068671 BNJGYBKZUJNRAS-QGZVFWFLSA-N 421.409 1.540 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1F 748808105 BKELXODZLKIFLJ-LLVKDONJSA-N 410.286 1.399 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)c(C#N)c1 752684893 PTHFJYUCCJLUMM-IBGZPJMESA-N 410.474 1.740 30 10 HDEE CC[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](O)c1c(F)cccc1F 752964568 HOXOJUVFCOISCB-YVJUNPPVSA-N 408.405 1.602 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1 765660356 YOJGNODDRQGECD-INIZCTEOSA-N 400.456 1.558 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(-n3cnc4ccccc43)nc2)CC1 768919772 DLRIRNFZIMWJGD-UHFFFAOYSA-N 404.474 1.481 30 10 HDEE Cc1ccc(-c2noc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n2)cc1 769724098 SKFNYMHXKUXRPK-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C#N)ccc2O)C1=O 771594078 IBUGFPVSYVCWSO-NRFANRHFSA-N 408.414 1.987 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 773571129 CZBQZZKSMIUVST-NVXWUHKLSA-N 400.483 1.652 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 775974338 HJXUOUNRTKSTQN-ATZDWAIDSA-N 402.470 1.275 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 783013008 YPRSSBITFSSNNE-UHFFFAOYSA-N 415.943 1.647 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783956101 DCOVMOBRDBIZFJ-AWEZNQCLSA-N 422.535 1.908 30 10 HDEE C=C[C@](C)(CC)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 785770833 YLEWXCVJXXIQSV-JOCHJYFZSA-N 413.474 1.989 30 10 HDEE CC(C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787060573 OOMFGFIZLWQFQS-KRWDZBQOSA-N 400.435 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@H](N2CCN(c3ncccc3C#N)CC2)C1 787685568 FJRIFCBDDWKKRX-DYESRHJHSA-N 401.511 1.836 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3c(C#N)c(C)nn3C)CC2)C1=O 788044926 SBDKRKWDHBMUCZ-QFIPXVFZSA-N 421.505 1.537 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 789888388 DIHMERODFCLUMX-QFIPXVFZSA-N 418.457 1.069 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1c[nH]c(C(=O)OC)c1 789968807 QFTPYEOUPNTDEU-NSHDSACASA-N 403.468 1.278 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1nccn1C)n1cnc(C#N)n1 791304881 YOKHGHMVAGFTCS-KGLIPLIRSA-N 414.470 1.265 30 10 HDEE COC(=O)N1CCC([C@H](C)NCC#CCN[C@H](C)C2CCN(C(=O)OC)CC2)CC1 792880223 PQCPOESBFJTUOV-HDICACEKSA-N 422.570 1.903 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 794894283 HULQDPWBCDJQHG-HCXYKTFWSA-N 420.506 1.726 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c(C)cc1Br 798832375 YSQUWSLPRYWOEM-JTQLQIEISA-N 412.269 1.595 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(F)F)C1 801422176 KALZZNXICVAGJL-UONOGXRCSA-N 415.462 1.632 30 10 HDEE CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801972853 DJPKXGYOQXVTAO-MRXNPFEDSA-N 418.505 1.871 30 10 HDEE COc1cccc(C(=O)COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 811057060 QIVXJNVWQRLFFP-UHFFFAOYSA-N 403.416 1.322 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 814398167 RILAQJLOCXHPBD-CQSZACIVSA-N 402.517 1.034 30 10 HDEE CN(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCc1ccccc1 815895197 HMGLHUZDRZWXDW-UHFFFAOYSA-N 401.444 1.773 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 858004512 BGDWMFMEAOYGTJ-CKXPSTMWSA-N 417.487 1.305 30 10 HDEE Cc1ccc(O[C@@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)nc1 858042249 NQIJEQRGNMFJMY-QGZVFWFLSA-N 410.478 1.360 30 10 HDEE CCCCN(C(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914595281 XOQPZSXCWNEGKH-NVXWUHKLSA-N 422.503 1.685 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 920252070 HKPCXKUHTHMLHT-MRXNPFEDSA-N 420.457 1.038 30 10 HDEE CCOC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(C)=O 1084287852 STEFXMQKKTWXKP-UHFFFAOYSA-N 419.463 1.814 30 10 HDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1116067036 DULDSKNYTWYRIM-DNTCVELPSA-N 402.495 1.400 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 1128015276 FEMBGLPSPNZXJP-CQSZACIVSA-N 403.485 1.949 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 1129015370 DLJQYFWAKMQSAN-UHFFFAOYSA-N 409.427 1.040 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1(C#N)CCOCC1 1130465766 PMMQCJIVBWSZIV-UHFFFAOYSA-N 421.519 1.919 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130774496 NMQJINKRIOLJKU-OMNBBPDLSA-N 411.462 1.264 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1133220592 URFOJIYUNYJWFI-KXBFYZLASA-N 415.556 1.730 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)cn1 1139860663 FOOAKPOWPOKYJE-UHFFFAOYSA-N 424.482 1.630 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H]3CC[C@H](C#N)C3)CS(=O)(=O)[C@@H]2C1 1142772825 ADLUWPHEGNJLCL-UYJHQMFVSA-N 411.524 1.465 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(c3nccnn3)CC2)cc1Br 1148679963 HXBUDAXRZJPXMM-UHFFFAOYSA-N 403.240 1.233 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCn3cc(C#N)c(O)nc3=O)CCC[C@H]12 1154252064 NOHKALFHKNSTOW-XOBRGWDASA-N 417.466 1.259 30 10 HDEE CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)Cc2cccnc21 1175620907 HPLLZGISBSJPPJ-NRFANRHFSA-N 422.508 1.882 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CC1 1175854735 VXAIXVLDFSNNCU-UHFFFAOYSA-N 408.495 1.991 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)CC1 1201997403 NJSQFZUDZPZVDZ-UHFFFAOYSA-N 419.913 1.377 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1214056953 PRMBAMVCZYODSY-DZGCQCFKSA-N 407.435 1.798 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234023389 HHDIWLIEODPFGO-MSOLQXFVSA-N 418.519 1.662 30 10 HDEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1252584903 LRJCCIVGHSARJJ-ABSDTBQOSA-N 413.503 1.284 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1277136600 ITWDVOQPWQYALC-MRXNPFEDSA-N 406.504 1.592 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3(CC(=O)OCC)CCOCC3)cc2C1=O 1280486043 MBDYJKHNWLRYLM-UHFFFAOYSA-N 400.431 1.701 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286354678 RMTPMZYOOWEZDC-QGZVFWFLSA-N 402.524 1.389 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286388984 DJILIHPATDECGJ-QZTJIDSGSA-N 407.584 1.759 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cc1F)[C@H]1CCS(=O)(=O)C1 1286394807 KMZJHKFLCVYDQC-INIZCTEOSA-N 424.473 1.768 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286482772 YSRYCWQOKHOYOT-FQEVSTJZSA-N 421.549 1.278 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286711332 NCBWAVVWDIQFKK-OXQOHEQNSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286715077 VUAHINADMKWFNZ-YLJYHZDGSA-N 404.536 1.992 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1286726640 HAVMFMSGLXJCPR-SFHVURJKSA-N 419.551 1.784 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCc2ccc(OCC#N)cc2)C1=O 1292738213 YUCQTQPDINCFNB-QGZVFWFLSA-N 401.463 1.785 30 10 HDEE CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1297567774 JPSPLNIPWSSROA-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 1299868866 ALSBEZKVHPWUEZ-QRQLOZEOSA-N 402.447 1.440 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)cc1OC 1300077144 LVJGRZMFQOCARO-MRXNPFEDSA-N 417.466 1.090 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1300336299 CLJHYVNSDUEJEX-INIZCTEOSA-N 404.515 1.935 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1300431751 KEOQSRYOUFGEPB-NRFANRHFSA-N 407.478 1.833 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@](C)(O)c2ccco2)CC1 1300719641 KAYPMAAUOXDHFW-QFIPXVFZSA-N 422.489 1.740 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300948946 JLDRUDYUFCNXSO-UKRRQHHQSA-N 400.487 1.380 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(N(C)C(C)=O)CC1 1301508744 SSWGNUNZPLPKPK-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(CC)c1 1301588852 KSRJSZUYBNHVBR-KRWDZBQOSA-N 422.555 1.973 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1301952053 GCSBRQGKYCZBOP-ILXRZTDVSA-N 423.543 1.380 30 10 HDEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1303655414 DESQHSRLXZHXQQ-UHFFFAOYSA-N 421.519 1.809 30 10 HDEE CCOC(=O)c1[nH]cnc1CNC(=O)COc1ccc(C#N)c(Br)c1 1304143908 KUDCVHZOCMKUOU-UHFFFAOYSA-N 407.224 1.916 30 10 HDEE Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)n1 1304270895 JNEMPRKXYLTENB-SCLBCKFNSA-N 419.894 1.548 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CC2)cs1 1304675164 DWQSOZCPFTYCKT-PWFNWSNSSA-N 406.537 1.274 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ncccc1N(C)C 1304851053 ABVJAWZJCLMBKV-UHFFFAOYSA-N 403.494 1.689 30 10 HDEE Cc1nnc(N2CCN(CC(=O)NC3CCCCC3)CC2)n1Cc1ccc(C#N)o1 1304860694 UYTBIIIDKPCNPW-UHFFFAOYSA-N 411.510 1.670 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H](C(=O)OC)c2cccc(C#N)c2)CCO1 1307968039 SSEYDWJRFWXXJB-DYESRHJHSA-N 404.463 1.831 30 10 HDEE C#Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1311684176 SUUZAWORHZFWON-UHFFFAOYSA-N 402.432 1.354 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCOCC1 1312866508 VECYYPXFAPKWMY-OAQYLSRUSA-N 412.534 1.612 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nn1 1312898341 LVNKCZGPTCUIEG-IBGZPJMESA-N 424.553 1.603 30 10 HDEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1316335040 FNHSUGHHDGDDLT-DOTOQJQBSA-N 417.491 1.310 30 10 HDEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1323565008 BSKVULKXLCYMBS-HNENSFHCSA-N 400.435 1.642 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCc1nnc(CNC(=O)c2cccnc2)o1 1326328854 DISUXJPSXNYMID-UHFFFAOYSA-N 402.418 1.711 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)C 1358986437 WUOFXBKPLVCKGX-QFIPXVFZSA-N 415.538 1.554 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCCCO2)CC1 1359028445 SAKGGLYCLSFXAQ-LJQANCHMSA-N 416.570 1.911 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359034148 FFSGZPUAOFCFKX-QGZVFWFLSA-N 405.506 1.535 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359068887 RRSSLSGOQDIXSL-OXJNMPFZSA-N 414.535 1.614 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)CC1 1359179560 YHFAJTJQCMWCGJ-AEFFLSMTSA-N 423.583 1.303 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359229774 UTKXQAQUKVNGBC-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1360466475 FEVFIKPCDWPZCI-AWEZNQCLSA-N 414.601 1.693 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1360809515 CEZGKVSJEUUMSY-RTBURBONSA-N 404.478 1.277 30 10 HDEE CO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 1441009802 KIINKQDRPIMSMG-LJQANCHMSA-N 405.520 1.986 30 10 HDEE C#CCN(CC(=O)NCCNS(=O)(=O)c1cccs1)C(=O)OC(C)(C)C 1446425666 LKJFSKGOSPQSHX-UHFFFAOYSA-N 401.510 1.013 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1454677728 XKENVCSGAQYMAM-XGHQBKJUSA-N 405.495 1.938 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874129 DZYHBCICVCIWSG-AUUYWEPGSA-N 402.470 1.402 30 10 HDEE CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455815743 FFSICMSCXIMNOG-HIFRSBDPSA-N 409.508 1.599 30 10 HDEE C#CC1(F)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4nnn(O)c4c3)c2)C1 1457994105 SEGUSIRPQUQEIO-UHFFFAOYSA-N 415.406 1.267 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)C1 1461951507 BNEBRTHDGZRJGB-UHFFFAOYSA-N 414.487 1.358 30 10 HDEE CN(Cc1nnc2n1CCCCC2)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1463928077 CLEHOTWMTUJLHO-UHFFFAOYSA-N 405.455 1.713 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1463990108 CCBZFMBWVCXVPE-UHFFFAOYSA-N 420.516 1.744 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2)C(=O)OCC 1464252411 BNSOSVRRASKKSG-OAHLLOKOSA-N 412.895 1.875 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)C(=O)OC 1468874623 BAPMFTDYBZCWDJ-KRWDZBQOSA-N 416.455 1.791 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1471234376 MMVSIYHAPRPPLB-SHTZXODSSA-N 408.480 1.707 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCO[C@H]3CCOC3)CC2)c1C#N 1492728231 XDRSDTUCDVENTK-KRWDZBQOSA-N 414.514 1.022 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1492946755 BHBHRIXCDFMZKX-LJQANCHMSA-N 408.466 1.210 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCc1cn[nH]c1 1504886282 GJZPVJSDZJAXSA-UHFFFAOYSA-N 412.454 1.338 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1504888089 ZSPMUXLRAOCTFB-QGZVFWFLSA-N 411.510 1.545 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1507516581 LKYZZLJEWDHFHI-RYUDHWBXSA-N 411.557 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1507669873 UOTFZOWCBJVFTG-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1CC 1507762154 WBJNMPVEWDZJQX-NHCUHLMSSA-N 413.526 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1507809721 XHFPLQISPZCHJI-LMMKCTJWSA-N 419.526 1.406 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1507957099 KRCDKAWVEDHTRJ-UHFFFAOYSA-N 407.515 1.395 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1509805857 NJOFRTHGMCJZLY-WOJBJXKFSA-N 422.505 1.629 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1514253799 FGGHLMKEPXOFRF-IBGZPJMESA-N 405.524 1.849 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)C1 1517505536 FUIMPZKJAGDKBQ-REDKUUPNSA-N 424.505 1.319 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC=CCO1 1518520111 PVJWOWDAEFETIO-DLBZAZTESA-N 411.462 1.940 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCN(C(C)=O)C1 1519404907 PAIAKGRWPAJBFR-YSHGAJCASA-N 418.542 1.999 30 10 HDEE CCOc1ccc(NC(=O)c2coc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1525319231 VFJAQZHRNRWXTN-UHFFFAOYSA-N 405.432 1.823 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1 1526133297 MXMFYMXXFJUIJY-NRFANRHFSA-N 401.463 1.749 30 10 HDEE COc1ccnc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1F 1529254394 OXMXJRTYMWEYAE-CQSZACIVSA-N 411.393 1.622 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2cccc(C#N)c2Br)C1=O 1532068930 ZDMGJNOUMWVWRW-PIGZYNQJSA-N 405.252 1.771 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1539014551 MCQZLHXTLFISMD-YESZJQIVSA-N 416.551 1.721 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539046633 XDWBRLBEVGXGFK-IBGZPJMESA-N 414.554 1.476 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539072791 WLTFVEVFHZLXGY-SFHVURJKSA-N 422.537 1.826 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1539220540 KMGYMQFSFIJTBE-HOTGVXAUSA-N 419.551 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1539232496 GCLFCELYDHQVFH-GDLZYMKVSA-N 412.519 1.545 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1539268051 CTOGMCICOSOTJU-UHFFFAOYSA-N 419.938 1.534 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1539347356 QCNDBCQJIVHDNB-KRWDZBQOSA-N 408.300 1.657 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CCOCC)CC2)CC1 1539429029 ZPDKRLCHQGYRPF-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539447862 XOYQLPHVZWYZOA-QGZVFWFLSA-N 421.567 1.242 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC[C@H]1COCCO1 1539541772 LGUZLPBIDZGGQY-IOMROCGXSA-N 404.511 1.728 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1)C1CC1 1540095538 RQXHPEKPRAZJQK-WHDAMIPWSA-N 415.585 1.344 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1540859681 AIVUKGABAPIZGL-MRXNPFEDSA-N 402.543 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1540900665 DDYBPDJMVXNDLK-IRXDYDNUSA-N 417.535 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)CCN1CCOC(C)(C)C1 1540901931 VIRUBXBOURRHCZ-UHFFFAOYSA-N 411.572 1.303 30 10 HDEE C#CCN(CC(=O)N[C@@H](CN1CCN(C)CC1)c1ccccc1)C(=O)OC(C)(C)C 1542810440 BRHWEHGTALZFAA-FQEVSTJZSA-N 414.550 1.962 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1547555337 GTUDCBFLNUSMSL-GOSISDBHSA-N 422.493 1.911 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1555995101 MRKPVEYFEIMOMC-JKSUJKDBSA-N 400.414 1.636 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1557008191 QWBHMIGEFKCBHG-MRXNPFEDSA-N 413.540 1.320 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCNc1ccc2ccccc2n1)c1cc[nH]n1 1557167184 PTVJWPYTKCRBAZ-UHFFFAOYSA-N 410.434 1.470 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3[nH]c(C(N)=O)cc3c2)s1 1557863238 LVMCHTSJEXXXNR-UHFFFAOYSA-N 418.500 1.974 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]1C2 1557974428 AIUXHCJQPSVNCA-LYDQXWKUSA-N 410.430 1.221 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H](CC#N)C(F)(F)F)C1 1558441912 CMCPYFMTHNVDGB-WDEREUQCSA-N 413.418 1.371 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc1 1559507223 RICSHMWZYGUGHW-HXUWFJFHSA-N 415.534 1.843 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F 1561149003 DSYLGYKSJWFWLD-LLVKDONJSA-N 413.851 1.752 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3cccnc3C#N)CC2)nc1 1561900080 GXYWRCQWGWTEJN-UHFFFAOYSA-N 415.475 1.282 30 10 HDEE CC[C@@H](NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1)C(=O)N1CCOCC1 1564232741 HHJVPKXPBLZYBI-QGZVFWFLSA-N 403.458 1.166 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)N2CCc3c(CC#N)cccc3C2)cc1 1565219990 PHFSDZCJOKBYDR-UHFFFAOYSA-N 412.515 1.971 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCC[C@H]3CC(=O)N(C)C3)c(C#N)c2N)cc1 1565362666 WPSXJABRKOUJGU-INIZCTEOSA-N 423.521 1.735 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(c2ncc(F)cn2)CC1 1584683851 IJOHNWWLWDLMFB-HNNXBMFYSA-N 406.462 1.851 30 10 HDEE COC1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1587278518 WBSGXZIMVDHAIL-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1588069596 QZHLKHJHWAZKTA-MRXNPFEDSA-N 422.942 1.519 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NC(C)C 1588093134 CFGNKFZMSLZBCR-UHFFFAOYSA-N 401.474 1.933 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1588638317 RVJJMSFCSHFFFH-OAHLLOKOSA-N 420.514 1.182 30 10 HDEE C#CCC1(O)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1588765670 LLTHMKXTMNJUHA-UHFFFAOYSA-N 417.531 1.662 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=C)Cl)CC1 1588885023 QXRQNNNYVWGZJK-UHFFFAOYSA-N 420.945 1.915 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCCc2cnn(C)n2)C1 1595737646 FPNMRGLLKILXGA-IBGZPJMESA-N 408.510 1.807 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1596821775 FQLRHTOPTLQURB-RDJZCZTQSA-N 409.494 1.484 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1598054785 KEYHQTLHPXVLAM-KRWDZBQOSA-N 409.494 1.291 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2cnc(OC)c(C#N)c2)C1=O 1598433080 AGZQGDKPAHYJLU-FQEVSTJZSA-N 409.402 1.376 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@H]1CCCc2ccccc21 1617565966 DQBGMBZAANLCIH-IBGZPJMESA-N 402.454 1.785 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@]1(C)CN(C2CC2)C1=O 1619912210 VLBNNLXUXUBTNO-NRFANRHFSA-N 409.494 1.717 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1620025461 QCJCTBMCJPLQJC-MMOPVJDHSA-N 415.494 1.639 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)C1 1620345835 LKGICAVQCIAJJW-BEFAXECRSA-N 406.462 1.152 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1)c1cc[nH]n1 1623629722 HMDOBWGIMVEUGR-LRDDRELGSA-N 406.414 1.461 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@@H](c2ccncc2)C1)c1cc[nH]n1 1624359645 JYUOPICHJJVUCD-GDBMZVCRSA-N 401.423 1.125 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1 1624819541 QZKXBSNVWUNZQQ-LBPRGKRZSA-N 422.459 1.424 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1626658049 MUUQXQFCHKLDHM-QGZVFWFLSA-N 408.543 1.831 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CC2(C=C)CN(C(=O)OC(C)(C)C)C2)CC1 1627015524 UHYWNIJSKFBPLA-UHFFFAOYSA-N 418.538 1.083 30 10 HDEE CC(C)(C)OC(=O)N(CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC1CC1 1628385860 GUDRZOKSPZITSH-ISLYRVAYSA-N 406.483 1.666 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1630915947 BVILREZQWUDSKE-CQSZACIVSA-N 406.398 1.105 30 10 HDEE N#CCC(=O)N1CCN(C(=O)/C(=C\c2cccnc2)NC(=O)c2ccccc2)CC1 1631231833 TWCYZUMDUKUUAQ-XDJHFCHBSA-N 403.442 1.437 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](n2cncn2)C(F)(F)F)s1 1632047257 HBROVLOOMHDHDK-NSHDSACASA-N 423.442 1.266 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)nc1 1633498576 IZFLBCWQGPQISB-UHFFFAOYSA-N 410.459 1.268 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1634016495 YMTNFBYKWSDJTE-ROUUACIJSA-N 406.571 1.380 30 10 HDEE COc1ccc2nc([C@@H](C)NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[nH]c2c1 1634655130 NFDWBBYCMLNNKC-LLVKDONJSA-N 413.459 1.487 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1634725516 YOUXADODAVDBIC-IINYFYTJSA-N 407.282 1.831 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)C1 1635701480 PTIOPTCTHGAIAT-RXQFDZFGSA-N 408.520 1.633 30 10 HDEE CN(C)C(=O)C1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1635871704 GAGOUTCDBRBKNH-UHFFFAOYSA-N 420.535 1.413 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccccc3OC)n2)CC1 1636475742 VRJKKJIVZZZIGA-UHFFFAOYSA-N 420.516 1.044 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)CCS2(=O)=O 1636976396 XHBILMNSSSNSCY-XSZUHGDJSA-N 423.462 1.423 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc4c(C#N)c[nH]c4c3)C2)cc1 1637657586 CWXHNVXLRAHSAN-UHFFFAOYSA-N 410.455 1.851 30 10 HDEE CC1(C)C[C@H](O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1642803999 ZMUKGDXSLTXMMY-KRWDZBQOSA-N 405.520 1.578 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C2CCOCC2)nn1C 1643108595 GYCHDNRCXGORFP-CYBMUJFWSA-N 417.491 1.491 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@H]2CC[C@@H](C(F)(F)F)CC2)c1=O 1643557000 FJXYEMWJMQRAHL-BETUJISGSA-N 401.385 1.482 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H](O)C(=O)OCc3ccccc3)C2)c(F)c1 1644392290 VDBOPLCDLVCLQE-XLIONFOSSA-N 411.433 1.744 30 10 HDEE C[C@@]12CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)C[C@@]1(C)C(=O)NC2=O 1647992900 CDJDASZLPQVZJF-PMACEKPBSA-N 400.504 1.812 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NOc1cccc(C#N)c1 1648729479 PFWSZYBIIWYASY-INIZCTEOSA-N 402.451 1.874 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)cc1 1649676891 AXAGEIMVBTUOKR-DENIHFKCSA-N 411.506 1.962 30 10 HDEE C#CCN(C(=O)c1nnn2cc(C)nc(O)c12)C1CCN(C(=O)OC(C)(C)C)CC1 1651973567 OJQYIOAMYZOHKG-UHFFFAOYSA-N 414.466 1.613 30 10 HDEE C#CC[C@@]1(C(=O)NCc2nc[nH]c2C(=O)OCC)CCCN1C(=O)OC(C)(C)C 1652815262 JTSFAHXFRBPWCU-FQEVSTJZSA-N 404.467 1.996 30 10 HDEE C[C@](CO)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(Br)c1 1653411357 YJWNTCZJPMMPMJ-IECKCJDVSA-N 422.279 1.689 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 1655781415 XEYHGHNGDGWSLL-OAHLLOKOSA-N 402.513 1.511 30 10 HDEE C#CCCN(CCOC)CC(=O)N(c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1 1659555907 UPOUOMCMACXMRP-HXUWFJFHSA-N 404.532 1.919 30 10 HDEE CN1CCCC[C@@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1=O 1659694437 JDARBDOFEDETRV-UXHICEINSA-N 415.513 1.477 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)CC1 1667840192 OFDCDSLJECWZBW-LJQANCHMSA-N 422.526 1.852 30 10 HDEE C=CCN(C(=O)Nc1ccn2ncc(C(=O)OCC)c2c1)[C@H]1CCS(=O)(=O)C1 1673465373 KKTVSJXUOXNICC-AWEZNQCLSA-N 406.464 1.718 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1674143312 JZLPCUBHDLNSCE-RDTXWAMCSA-N 405.451 1.701 30 10 HDEE C#Cc1cccc(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1 1674418980 WNPFDIQAYLNMJK-UHFFFAOYSA-N 413.503 1.466 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1679523848 YWPKFSGFSMSMBX-LRDDRELGSA-N 412.855 1.370 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)C1 1685267461 ZNSRCYYMXYIKDA-XZOQPEGZSA-N 409.578 1.686 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2csc3ccccc23)CC1 1687810080 CNBLYAJTDADFEG-CQSZACIVSA-N 406.533 1.757 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689927775 BWZKXUOWLNILFG-HZPDHXFCSA-N 400.483 1.406 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689933922 CUYXVRYZLFHPOM-QGZVFWFLSA-N 402.524 1.195 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(C)cccc1C 1690001614 NYZOWKQMXFJGFV-GOSISDBHSA-N 413.547 1.821 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCS1(=O)=O 1690033218 SRIGKLPOOYMQER-ZWKOTPCHSA-N 422.551 1.432 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1690074157 UBMLXZBTVNYBFP-INIZCTEOSA-N 415.494 1.909 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN(C)CC(F)(F)F)CC1 1690148763 SUQICUGHEGEDGN-UHFFFAOYSA-N 414.476 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1690669056 SFUBILAYKICKNU-CYBMUJFWSA-N 424.431 1.110 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1693018302 YLJAENGRZQDGPZ-RBUKOAKNSA-N 424.505 1.639 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1695051975 BIJLEBTXMRBUPK-MRXNPFEDSA-N 423.521 1.648 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1697048536 FWYJMSHREPGLDC-UHFFFAOYSA-N 410.478 1.684 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1697778024 VFKJSARITCJICV-HZPDHXFCSA-N 407.471 1.425 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1705477578 PVRABXATNYUXJM-STQMWFEESA-N 405.480 1.123 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1705485709 NZJLZMZANYQCOC-QYWGDWMGSA-N 406.494 1.930 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1705487224 UQJWQWCKRYAGQX-CYBMUJFWSA-N 407.434 1.285 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705540725 LCTQIPWJHDUPJQ-UHFFFAOYSA-N 417.823 1.940 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCC 1705580630 NBIGJQZYCRFNDP-QHCPKHFHSA-N 418.501 1.816 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@]1(C)CN(C2CC2)C1=O 1705585237 OMTMTZWWYGXLMA-DEOSSOPVSA-N 417.513 1.983 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCNC(C)=O)CC1 1705643156 UODDDNATQANTEL-UHFFFAOYSA-N 414.485 1.278 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1705857903 DGQNTBPOKNMEGY-IBGZPJMESA-N 416.570 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1705933123 UZVQZNWPLJLFAQ-IBGZPJMESA-N 414.466 1.860 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C#N 1706970224 BITWURCDXIWGRR-CQSZACIVSA-N 410.482 1.996 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)N2CCOCC2)cs1 1707742461 DCANVKCHZNQHSW-ZDUSSCGKSA-N 403.512 1.231 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1712168336 BOILDZWDOCQXSO-ZACQAIPSSA-N 414.441 1.736 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C(C)(C)C)no1 1712455178 RVLYJGCRYAGECI-HNNXBMFYSA-N 415.498 1.929 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C#N)CC1 1712583070 SRSWWNWCXWSTER-UHFFFAOYSA-N 422.493 1.887 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722364796 MNNXDTKWKUMXDV-WOJBJXKFSA-N 415.563 1.825 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(C)c1 1722424019 YGWCRVFNZYALLY-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1722430420 FIXIQXCQKAMJEO-SSEXGKCCSA-N 424.530 1.563 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccccc2F)CC1 1722433198 OZTCIMNGDDCPOS-JOCHJYFZSA-N 413.497 1.873 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1722433375 SYZQWCLESQREKU-PGRDOPGGSA-N 416.570 1.168 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722459864 SNCMTPPXQDYBES-KRWDZBQOSA-N 413.551 1.573 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(S(C)(=O)=O)CC1 1722530907 DHOAQUFBQFMVDX-UHFFFAOYSA-N 407.540 1.890 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722556397 QUOZQQOZBSXVKC-CQSZACIVSA-N 417.963 1.785 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722694714 FMSOQWBOHAICBD-FUHWJXTLSA-N 424.505 1.313 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(F)cc2)CC1 1722697896 QIFKFYZVTJZJSJ-UHFFFAOYSA-N 424.484 1.447 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1723550852 RSFXVDGMDOBZGN-DLBZAZTESA-N 404.515 1.094 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1730819810 QYJBYMNIKPTUNX-GJZGRUSLSA-N 413.544 1.423 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)ccc1OC 1730871197 ADCAYLILWFAFAY-RHSMWYFYSA-N 419.457 1.927 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCO[C@@H](C)C1 1730873721 GWTLNRPZVGIFCZ-XWTMOSNGSA-N 407.515 1.936 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC[C@H]2COCCO2)c1 1731180793 LSGMAZNIXYQQIU-KRWDZBQOSA-N 401.492 1.191 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@H]2CO)CCO1 1731187002 IIPQVUWYRZWLSM-OKZBNKHCSA-N 404.515 1.095 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740584776 KATQFTOBPPFTNQ-INIZCTEOSA-N 415.498 1.002 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1740601148 SCUZSLRQVDFUEP-ZDUSSCGKSA-N 424.596 1.954 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1740623377 SKOIBTHIQRFSCN-AWEZNQCLSA-N 405.549 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1740662532 UKZKTALHISSRMC-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C(=O)NC)CC1 1740702646 UTAMSONQGSOIRW-UHFFFAOYSA-N 402.543 1.314 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740887310 FZHBZFZQXWPOBF-LAUBAEHRSA-N 416.526 1.860 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1740905298 RDHOPJLNXWOFMX-IAGOWNOFSA-N 403.531 1.993 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCCN(CC)C(=O)C1 1740987732 LLYHKQIXJGVDEZ-UHFFFAOYSA-N 421.523 1.506 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1C(=O)Nc1ccccn1 1740995154 BQTGDSFARDLYQG-UHFFFAOYSA-N 416.467 1.003 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)C1 1741572204 HBTNGEWMRQOPOT-SQGPQFPESA-N 406.506 1.928 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1748315334 BNLQFKVMBZQXQM-LJQANCHMSA-N 424.505 1.538 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748744980 ISUHMFVEYXUCCO-ZDUSSCGKSA-N 407.400 1.653 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748745371 LLXVSQVQTNJILW-NQIIRXRSSA-N 421.549 1.742 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCN1CC 1748776563 KHZROZYVPVGUQL-QGZVFWFLSA-N 401.536 1.902 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1748783194 HKQBBZXSWZGMMT-HNNXBMFYSA-N 411.432 1.401 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1748820359 AFGPLISXSWVDAC-QGZVFWFLSA-N 414.535 1.198 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 1748855983 OKFVCCOVWCWBTI-UHFFFAOYSA-N 421.501 1.487 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCn1cncn1 1748944242 QPEYDOHFDUWXRQ-UHFFFAOYSA-N 405.441 1.749 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCOC2)CC1 1748979307 XROPJYXWPUKONK-HXUWFJFHSA-N 401.898 1.505 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(N)=O)CC1 1749082917 HPCLORFTDJPVQS-UHFFFAOYSA-N 413.320 1.417 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749268575 CNKRXVGLWRCCSC-AWEZNQCLSA-N 414.919 1.103 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1749485410 UDRUVFIFPPIGOK-UHFFFAOYSA-N 419.493 1.966 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H]2C)C1 1749713202 PYEZDVZXZASDCL-OKZBNKHCSA-N 423.583 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2c[nH]nc2C)C1 1749717666 OBUVCCWXJIQIFP-SFHVURJKSA-N 413.526 1.846 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1 1749740183 AHIKDJKCGZOCDA-HNNXBMFYSA-N 418.523 1.696 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCc1cnn(C)c1 1750070727 VELDLMCLQIBYCG-CQSZACIVSA-N 410.482 1.968 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1750568788 DGGIJAGSCDGEOD-GOSISDBHSA-N 421.505 1.400 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)N(C)C 1760163991 HEHLIJCDAYYEEI-KRWDZBQOSA-N 419.551 1.996 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1760175758 QSZKQQDSZSCKCB-KRWDZBQOSA-N 402.476 1.461 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760189695 LCFSJLDHZZGPGT-NJAFHUGGSA-N 406.552 1.530 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1760233294 UKZAEPBAKYIYSV-IVZQSRNASA-N 422.489 1.191 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOCC(F)F)CC1 1760268002 JSQOWASPDBIOHP-UHFFFAOYSA-N 418.448 1.588 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1760489506 WBCLPFWIHVXMPK-ZIAGYGMSSA-N 417.626 1.915 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1760688318 FUINGSNXHRTOJD-VXGBXAGGSA-N 422.540 1.242 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1763128048 LCOHXXNGMFVUQB-UZAQASBGSA-N 400.483 1.401 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1770016125 KACLMKCKTRWHIS-WAOWUJCRSA-N 420.558 1.853 30 10 HDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1770313221 QZHXGCHDWZZPIH-RHSMWYFYSA-N 419.507 1.698 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1770738921 SQWLPTGNWFCDFH-INIZCTEOSA-N 409.450 1.317 30 10 HDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771041390 LDRKYZZYZVJFJG-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)C 1772516194 QUAZZTUSPDVZEF-UHFFFAOYSA-N 418.501 1.964 30 10 HDEE COc1ccc(-c2ccc(=O)n(CC(=O)NCC#CCN3CCCC3)n2)cc1OC 1850243307 CURASYGCUPMWNS-UHFFFAOYSA-N 410.474 1.143 30 10 HDEE C=CCN(CC(=O)Nc1ccc(I)cn1)[C@H]1CCN(C)C1=O 1851169218 PPRLUHREMUEMLF-LBPRGKRZSA-N 414.247 1.343 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851202123 LZNWIMZBLDEGAA-UHFFFAOYSA-N 414.487 1.336 30 10 HDEE Cc1[nH][nH]c(=NC(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)nc2)c1C#N 1851875140 LSZOOJNYFDJVJX-UHFFFAOYSA-N 401.474 1.981 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCC(N(C4CC4)S(C)(=O)=O)CC3)cnc21 1851996005 PTPHAZRSIQSLDF-UHFFFAOYSA-N 401.492 1.474 30 10 HDEE Cc1cccc(C(=O)N2CCCN(C(=O)CCON=C(N)c3ccncc3)CC2)c1 1853555915 KRQJGPKSVFXLIY-UHFFFAOYSA-N 409.490 1.792 30 10 HDEE COCCON=C(CN1CCSCC1)NS(=O)(=O)c1ccc(C)cc1C 1853603449 TYNXLYIUELVQED-UHFFFAOYSA-N 401.554 1.607 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)C(=O)C2)C1 1853632927 PQTUWAWLHNJJHZ-CYBMUJFWSA-N 422.411 1.293 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1853784863 PTFMYOGQBMWBHO-IAGOWNOFSA-N 400.479 1.406 30 10 HDEE N#CCCCN1CC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1854880932 LKYPYLLULHKFQE-UHFFFAOYSA-N 402.476 1.094 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)C[C@H]3CSc4nccc(=O)n43)C2=O)CC1 1855161469 GRVGEQATKAYYEQ-JKSUJKDBSA-N 402.520 1.840 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855667253 RTZDYKVQPRBESE-FUHWJXTLSA-N 414.506 1.464 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(c4nccn4C)CC3)CC2=O)CC1=O 1855900930 ZAJHDPOOTNBWQG-AEFFLSMTSA-N 413.522 1.009 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)c3nccnc3N3CCCCC3)C1=O)CC2 1856530990 COBOHZMYFJOEKC-SJORKVTESA-N 408.506 1.834 30 10 HDEE N#CCCN1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)C12CCCCC2 1856625246 BOLBDOXEVCNLGE-INIZCTEOSA-N 400.483 1.216 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(C(C)=O)cc2)C1)[C@H]1CCN(C)C1=O 1857055192 ATXICQXBWZESEP-PXNSSMCTSA-N 411.502 1.987 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC)c3ccccc32)CC1=O 1857101637 RZQXFJPIITWYDA-CABCVRRESA-N 419.503 1.387 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)C2CCC(F)(F)CC2)C1=O 1857167078 ITTJESSKTVEEJO-INIZCTEOSA-N 418.448 1.422 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(-c4ccccc4)on3)CC2=O)CC1=O 1857454121 OZJWVCLBSNNCJF-QGZVFWFLSA-N 408.458 1.547 30 10 HDEE C=CCNC1=C(c2ccccc2F)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863643100 MBOQGPKYGMVWHV-UHFFFAOYSA-N 415.446 1.529 30 10 HDEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933412 GIPVSSIBEXYFEA-KDOFPFPSSA-N 420.535 1.269 30 10 HDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCCC1 1869933619 KLPZGJSDDLQOOH-KRWDZBQOSA-N 406.552 1.886 30 10 HDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN2CCN(C)CC2)cc1=O 1870562821 XQSKNWGQKDOUQQ-UHFFFAOYSA-N 411.502 1.695 30 10 HDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562826 VFQPNTOLMPSOAL-UHFFFAOYSA-N 416.526 1.104 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(C(C)=O)CC3)ncnc2n1CCCOC 1873586864 PHSAJYASYCCRFG-UHFFFAOYSA-N 400.483 1.052 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cnccc3C(F)(F)F)CC2)CC1 1889238932 WXQNZIUMPJKWIC-UHFFFAOYSA-N 424.467 1.972 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CC[C@H]3CCCO3)CC2)CC1 1890010678 WMLRHCIRYRBKDT-OAQYLSRUSA-N 405.583 1.983 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC[C@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)c1 1891834066 ZWDPTUFUWXCAKZ-AWEZNQCLSA-N 401.400 1.591 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCB3OC(C)(C)C(C)(C)O3)nn2)C1 1985103830 AUIRATNVSPKOEZ-UHFFFAOYSA-N 407.280 1.431 30 10 HDEE COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(C#N)s1 2118164225 WVWSFBDWCGQQTF-UHFFFAOYSA-N 401.510 1.876 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@H](CC#N)C(F)(F)F 2124622062 XLIRNJPHJWWOEC-NXEZZACHSA-N 401.407 1.275 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CNS(=O)(=O)N2CC(C#N)C2)(C(C)(C)C)C1 2174779035 DVZZMQDNNCBKGC-SFHVURJKSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C(C)(C)C1 2174789685 TZXLGNCOXVFDIV-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(C#N)cc2Cl)[C@H]2CS(=O)(=O)C[C@@H]21 2174815419 SUBFGUGTKMEMIC-KBPBESRZSA-N 412.899 1.829 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1CCS1(=O)=O 2186590183 HZNNBWWGFCLJHK-JQWIXIFHSA-N 400.331 1.149 30 10 HDEE CN1CCC(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)(NC(=O)OC(C)(C)C)CC1 2195307980 KPOWDOIBCZRHHH-ZDUSSCGKSA-N 403.545 1.643 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446346 HCZQXVVFQKUADI-IIDMSEBBSA-N 403.545 1.710 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ncc(Br)cc1C#N 2247167738 UXBLFWHCZFTSEY-UHFFFAOYSA-N 401.261 1.376 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2247863536 SJBINFPELSTNKX-ZIAGYGMSSA-N 422.287 1.289 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247921812 WAHCNZNDYGPGHX-KBPBESRZSA-N 418.303 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055055 KDCPYYYGZZMUBN-STQMWFEESA-N 418.303 1.561 30 10 HDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270537339 IXDKDOHFNFJANF-ZWKOTPCHSA-N 422.503 1.677 30 10 HDEE CO[C@@H]1C[C@H](CO)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281937335 YKBZCORATOJNJE-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCS(C)(=O)=O 2281974881 ZAITZTMIBKAILZ-UHFFFAOYSA-N 402.347 1.305 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@@](=O)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320316 GOSHQHXTSCWCPC-XELLLNAOSA-N 419.399 1.497 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)Nc2nc(CCN)cs2)OC1(C)C 2282331072 JBMWOUXVHJLKSE-UHFFFAOYSA-N 415.371 1.806 30 10 HDEE CSCC[C@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282338659 OXUNASJKASKWQP-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCCc2nncs2)OC1(C)C 2282497246 NMKCYGQMYMVEGH-UHFFFAOYSA-N 415.371 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCOC3)c(Cl)c2)OC1(C)C 2282501349 WCJUEFXLEAOFRD-GFCCVEGCSA-N 401.721 1.954 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](N)C3)c(Cl)c2)OC1(C)C 2282503166 VXNZZGWEIYCWIX-ZDUSSCGKSA-N 400.737 1.751 30 10 HDEE CC[C@@H]1COCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505860 KCNUPOJDEZPFRX-CQSZACIVSA-N 401.359 1.988 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1COCCO1 2282506749 WXXMUPCGHCWCGD-WCQYABFASA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H](O)C(F)F)ccc2Cl)OC1(C)C 2282871596 JNPSYWJYKUSBBZ-LBPRGKRZSA-N 411.663 1.544 30 10 HDEE COC(=O)[C@@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282872362 VNGTVCOGQNUVLZ-SECBINFHSA-N 403.331 1.504 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CCC(CO)CC2)OC1(C)C 2282876520 FAVOVTBMVCNGHT-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE C=C(CS(=O)(=O)NC[C@H](CC(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284395999 AMLSCWDKNFNPEU-JTQLQIEISA-N 401.212 1.747 30 10 HDEE COC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CC(C)(C)C#N 2289604913 XAJLEAOMUSGBQH-CYBMUJFWSA-N 405.517 1.692 30 10 HDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc[nH]1 2325918102 YCEJQHRYLXJSTG-OAHLLOKOSA-N 423.502 1.582 30 10 HDEE C[C@@H](C[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365248721 QESVTBXEUSHABE-KBPBESRZSA-N 405.513 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365254870 SADPYOJLRSYFJD-KBPBESRZSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792624 QECMRGWJFWAJFI-ARFHVFGLSA-N 400.541 1.604 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367800568 KUFVTNIPULBINO-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(C)(NC(=O)OC(C)(C)C)C1 2367810178 UQTCTEIAORWJSZ-ZCGYKAAXSA-N 400.541 1.353 30 10 HDEE CO[C@H](C#C[C@@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1CCCC1 2369588417 ULENCSLJBOXNDV-GPMSIDNRSA-N 400.541 1.604 30 10 HDEE C[C@@H]1[C@H](O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2370707778 USDJUOGQBMOPPM-OUCADQQQSA-N 401.359 1.827 30 10 HDEE C=CC1(N[C@@]2(C(=O)O)CCC[C@@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377250261 ZMKXLOZSQQENPB-ACJLOTCBSA-N 402.513 1.562 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)cnn1C)N1C(=O)C(=O)c2cc(Br)ccc21 16893380 WSRKPHISJUPYRS-QMMMGPOBSA-N 402.208 1.611 30 10 HDEE COc1ccc(-n2c(=O)/c(=C\c3ccccn3)s/c2=C(/C#N)C(=O)NC2CC2)cc1 103369581 TZPMMDQSDLXSID-OWMYFPPESA-N 418.478 1.084 30 10 HDEE O=[N+]([O-])c1cc(/C=N/Nc2nnc(SCCN3CCOCC3)[nH]2)cc([N+](=O)[O-])c1 253565115 HIBBSXCOXKKSAD-MHWRWJLKSA-N 422.427 1.491 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)CC1 302182857 RKKFFSJHSNAUES-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE N#Cc1nc(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] 302704066 GKNKDRYRZPRENZ-UHFFFAOYSA-N 409.374 1.651 30 10 HDEE C[C@@H](C(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1)n1cnc(C#N)n1 409640892 KRVYZEYAVZCTFW-AWEZNQCLSA-N 423.506 1.523 30 10 HDEE C=CC[C@@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 410067218 NWVSGAQMXYQBEY-HNNXBMFYSA-N 406.508 1.122 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)sc2C1 434772304 DCGULQWXYOIRTO-CYBMUJFWSA-N 410.503 1.822 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](C)O2 435272287 XSMNEPDJQNPYNI-AXHMDWHKSA-N 421.519 1.410 30 10 HDEE CSc1nc(O)c(C(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1C#N 462816275 FNHVBCDNWDDBCJ-UHFFFAOYSA-N 418.500 1.851 30 10 HDEE COc1cccc2c1nc(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)n2C 474794141 CJFXLBXKRHKJMI-GFCCVEGCSA-N 413.459 1.759 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CCc1c(C)nc3c(C#N)cnn3c1C)C2 478082115 DJMUVTPCLSCTGO-HRAATJIYSA-N 411.462 1.189 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)n1 484496015 CTYHWCJMLUTSEY-KRWDZBQOSA-N 411.462 1.755 30 10 HDEE N#CCCC[C@H](NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 487346709 RQESLAGKWAZZBO-KSZLIROESA-N 403.504 1.573 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 488247080 APHRQJZVQUAZMZ-LJQANCHMSA-N 419.489 1.371 30 10 HDEE COc1c(F)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] 493881178 CTCGYDWLEGSJOD-UHFFFAOYSA-N 421.410 1.520 30 10 HDEE N#C[C@@H](NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 499424664 VPYARZHDBZVVGY-HVQHVNDKSA-N 414.259 1.937 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NCc1cn(CCC#N)nc1-c1ccncc1 500538676 WJOWYGXHGTZPHP-FUHWJXTLSA-N 402.524 1.666 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C(F)(F)F)c3)n2C)CC1 508779204 NRNPXMYCZGKZDW-UHFFFAOYSA-N 408.428 1.925 30 10 HDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCCOC)CC1 508940138 WZMBYDCCRBXCNK-UHFFFAOYSA-N 418.929 1.669 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)c2cccc(C#N)c2)CC1 520374496 YPPCRGMQZIWLQM-UHFFFAOYSA-N 401.492 1.962 30 10 HDEE C=CCSc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)N(C)C)CC1 522037389 HZUCQORXTPTQNM-UHFFFAOYSA-N 412.581 1.717 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1(C#N)CCSCC1 535959497 RSBKIJMCQAGDEH-UHFFFAOYSA-N 409.533 1.535 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 539452342 BZPOYAJWPBYRFH-QZTJIDSGSA-N 417.579 1.790 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)O[C@@H](C)COC)nc1C 586305129 QEZWSGIQTABDJT-JGFSIVIASA-N 418.493 1.060 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(F)c1 586859090 RLWAGXCVSFGUMD-SFHVURJKSA-N 409.421 1.016 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2csc3ccccc23)c(=O)n1CC(N)=O 589157755 PHMINKKJZSCMBP-UHFFFAOYSA-N 423.519 1.482 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccnc2)c1=O 590050530 GSFXVGJZVWHDIT-UHFFFAOYSA-N 419.510 1.153 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)CC1 604184014 BTKVOQSYGWSVNH-OAQYLSRUSA-N 413.566 1.528 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)COc1ccc(S(N)(=O)=O)cc1 604550676 ZHEUFCRVRBEDDX-UHFFFAOYSA-N 405.432 1.836 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2SCCC(N)=O)CC1 605415720 KEZAKFGMNZVTDT-UHFFFAOYSA-N 405.524 1.106 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 611492516 QIPRIUWTFBFUPA-UHFFFAOYSA-N 401.419 1.849 30 10 HDEE N#CCOc1ccc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 727676937 UOZFFSJFIUERDE-OAQYLSRUSA-N 418.453 1.681 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nccn2CC(F)(F)F)ccc1F 727811525 QTCJRKCZDGPPHA-UHFFFAOYSA-N 420.388 1.979 30 10 HDEE C#CCN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 729334682 AXKRDTXDGRBUHU-CTWPCTMYSA-N 408.564 1.891 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn3ccccc23)c1=O 729672153 ZPPBUCRGYNUPOE-UHFFFAOYSA-N 408.483 1.076 30 10 HDEE COc1cc(C=NNc2c(F)c(F)nc(F)c2F)cc(OC)c1OCC(N)=O 730548091 SRTCNYJTEGJJRC-UHFFFAOYSA-N 402.304 1.965 30 10 HDEE C#CCN(CC(=O)N(C)Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 731212989 QACICPGVXUBFHJ-OAHLLOKOSA-N 400.447 1.369 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CCN1C1CC1 732665200 VMRMLITXIBMJQL-BPQIPLTHSA-N 402.495 1.167 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2OC[C@H]2CCCCO2)CCN1C1CC1 732707279 YZNYMKJQVWVCFF-QZTJIDSGSA-N 412.490 1.772 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CCN1C1CC1 737198826 PACXQJHZTFBPDD-QGZVFWFLSA-N 405.462 1.486 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCc1ccnc(C#N)c1 747022228 DIWRVUCGWRNCHL-CYBMUJFWSA-N 416.459 1.065 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(OC)c(C#N)c3)cc2)[nH]1 747447113 VTQXKUHUMIJWJB-UHFFFAOYSA-N 420.425 1.691 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 747932083 CSVOMEYPFONBTG-GFCCVEGCSA-N 421.479 1.254 30 10 HDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1 751682029 URSNPECTMJCCDE-PBHICJAKSA-N 420.535 1.484 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 758056558 RFDKBDFKSIFIQX-UHFFFAOYSA-N 412.427 1.106 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 758082004 DLJJBZUQZFSHRE-UHFFFAOYSA-N 418.479 1.680 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C[C@]4(CCc5ccccc54)C3=O)CC2)n1 760549617 CELLEKGGOABIHD-QHCPKHFHSA-N 401.470 1.676 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)c1 763434598 JOXAZXSXUBBSDM-GOSISDBHSA-N 419.506 1.813 30 10 HDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1F 771542526 XZJLUZPZZKNJQD-AWEZNQCLSA-N 417.470 1.192 30 10 HDEE CNC(=O)[C@@H](NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)C 772420841 MMZAYNCJQIYBLE-AABCQZNVSA-N 409.512 1.392 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774158489 WMDXOFLNSXXFQE-IRXDYDNUSA-N 420.922 1.995 30 10 HDEE C#CCN(C(=O)NCc1ccc(-n2nc(C)cc2C)nc1)[C@H]1CCS(=O)(=O)C1 774164993 JZCRBCOUUJGIJQ-KRWDZBQOSA-N 401.492 1.216 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774183991 AAWARPDDXQJUMG-WOJBJXKFSA-N 403.548 1.964 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 794745648 PMKARWKGTJUOSK-GDBMZVCRSA-N 416.503 1.801 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)ccc1F 796152045 QXLRELXNVZWUJL-CABCVRRESA-N 411.455 1.756 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccccc1S(C)(=O)=O 810942760 XAGVCLWUQSVADX-CYBMUJFWSA-N 422.484 1.372 30 10 HDEE C#CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@H]1CCS(=O)(=O)C1 814348882 NDOMOLRJVMURBL-HNNXBMFYSA-N 422.304 1.897 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)COC(=O)CC1(C#N)CC1 815411788 DZNLZGXLYZZPDX-UHFFFAOYSA-N 405.476 1.453 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCO[C@H]2CCCC[C@@H]21 919010185 VNCXZDNQJQBJKC-ROUUACIJSA-N 401.463 1.922 30 10 HDEE C#CC[C@]1(C(=O)NCc2ncc3c(n2)CCOC3)CCCN1C(=O)OC(C)(C)C 1130582853 UINBZIZUUJGCLW-OAQYLSRUSA-N 400.479 1.959 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1131243322 ZIFZVDSQBRVIFI-JXFKEZNVSA-N 405.462 1.794 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1132306194 HCERMACRIGGAJY-AGKSTNPPSA-N 419.865 1.744 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)cc1 1136273366 PZPSCKUHKKYICD-MRXNPFEDSA-N 415.515 1.978 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2Cc2ccccn2)cc1 1137148897 WHFNFGMWBVIGCD-UHFFFAOYSA-N 409.471 1.799 30 10 HDEE C=C[C@H](O)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1138291877 XWPCQKLJXZFKIV-ZDUSSCGKSA-N 406.298 1.378 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCn2c(S)nc3ccccc3c2=O)CC1 1140626483 GUIZTGPCQYWZRY-UHFFFAOYSA-N 400.460 1.381 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](c3nnc4n3CCC4)C2)c1 1144592853 UOUQARKVQSIDQZ-ZDUSSCGKSA-N 417.466 1.680 30 10 HDEE C#CCN1CCCN(C(=O)c2cccnc2S[C@H](C)C(=O)N2CCCC2)CC1 1147283174 CUVIAQQYEGOXOL-QGZVFWFLSA-N 400.548 1.966 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(N3CCCS3(=O)=O)c1)C2 1158215813 KZQOLEJEPFEKTP-UHFFFAOYSA-N 402.501 1.940 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 1171843336 IDMJCUJSLUFECV-OALUTQOASA-N 409.421 1.317 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 1174622635 GNKLUIAZWRPEOY-UHFFFAOYSA-N 423.494 1.225 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCN3CCOC[C@]3(CO)C2)ccc1Cl 1176523543 FLGUMUUGVHLCHH-HXUWFJFHSA-N 406.914 1.274 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCC#C[C@@H]1CCCCO1 1180363268 RVJNNTSANCAJEK-DLBZAZTESA-N 407.511 1.581 30 10 HDEE C=CC1(CC(=O)N2C[C@H](O)C[C@H]2c2n[nH]c(CC)n2)CN(C(=O)OC(C)(C)C)C1 1181163426 FVVKMPFRDVEPHZ-KGLIPLIRSA-N 405.499 1.815 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(Br)cc1 1230499094 QLRGNEZCFSTMAA-KRWDZBQOSA-N 419.323 1.729 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1233864166 MDDKGBGFGHLRTJ-UHFFFAOYSA-N 417.443 1.880 30 10 HDEE Cc1nccnc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1248429269 ACTDMUPFTJWEIW-HNNXBMFYSA-N 414.491 1.434 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1251527947 AHBNKXYZSUCINW-UHFFFAOYSA-N 402.495 1.126 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 1251708858 ZACFCAPCJVUALN-UHFFFAOYSA-N 407.312 1.368 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCC1(N2CCOCC2)CCOCC1 1275243736 AOMZCXSLMYUJNJ-UHFFFAOYSA-N 417.506 1.723 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286356889 CNICWJZJHVUFKN-IRXDYDNUSA-N 409.490 1.994 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC(C)C)NC(=O)OCC 1286358432 KWKJWCUHSRJYTN-MRXNPFEDSA-N 404.515 1.744 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(F)cc1F 1286468704 GRTNEQDEOGNGGB-UHFFFAOYSA-N 403.433 1.813 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1286624484 GZNKDVSLQWRCOB-UHFFFAOYSA-N 400.870 1.864 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1286670689 LNJQMAHTFZSYTI-UHFFFAOYSA-N 401.515 1.752 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)COC1 1294436407 OGCXHKMHISAGTO-CQSZACIVSA-N 424.498 1.642 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)C1=O 1297272373 FLPLKRGFIWZCHF-XOBRGWDASA-N 424.498 1.100 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300408513 AEWKXZXCIKAEOK-NVXWUHKLSA-N 416.551 1.841 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1300531998 KCOBEALRICJGRQ-UXHICEINSA-N 420.517 1.614 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1301424383 KIQCLQYALABPDS-IIBYNOLFSA-N 403.527 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1301491598 UEXVGALXBDEMOD-SJORKVTESA-N 413.526 1.624 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCN(c3ccccc3Br)C2=O)CC1 1302596797 OWLZXNFSRLZLEP-CQSZACIVSA-N 405.296 1.860 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2CCOCC2)CCOC1 1303503639 CWSBXOAUDKOEJS-RXVVDRJESA-N 419.526 1.864 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1F 1303900049 MFKVSXVEVKEMIG-OAHLLOKOSA-N 417.466 1.717 30 10 HDEE N#Cc1ccnc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)c1 1307413584 AKKICRIEMVKTNR-SFHVURJKSA-N 407.474 1.400 30 10 HDEE C#C[C@H](NC(=O)N1CCC(S(=O)(=O)NC)CC1)c1ccc(Br)cc1 1312936210 HBRBZIQEZRQFJR-HNNXBMFYSA-N 414.325 1.847 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1313190135 GFCYJHSSVUFCPR-LJQANCHMSA-N 412.515 1.954 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1318923132 ASUUDMDAMUCTEQ-UFUBCARBSA-N 405.476 1.437 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)(C(=O)OC)C1(C)C 1320516875 UVWAMTLZIJDXLF-JIGPKXGUSA-N 413.474 1.774 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1320932969 RJKZBNNKEYQBTG-NVXWUHKLSA-N 405.520 1.943 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1349455490 BLANBZVFGFBQNE-CRAIPNDOSA-N 424.461 1.285 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1356376479 XXZQHLNUYVFPCY-UHFFFAOYSA-N 422.304 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCS(C)(=O)=O 1358881929 PNGLVJLAIXRNIM-CQSZACIVSA-N 406.508 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358884423 PHQMIZGDIXCIIG-OAHLLOKOSA-N 410.503 1.754 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)(C)C)n2Cc2nnn(C)n2)c1 1358902848 BDVCRDXBUJHHJL-UHFFFAOYSA-N 421.509 1.495 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358960532 GSQMIIUTXQBIOG-IRXDYDNUSA-N 415.519 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)CCO2 1358968794 ZMRHBXJERVWURJ-UHFFFAOYSA-N 403.486 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)N1CCOCC1 1358983108 WLAFXLIUYNZFQB-IBGZPJMESA-N 423.517 1.659 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1359056986 PNJYCZIJAPHLHM-SFHVURJKSA-N 407.584 1.697 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359059330 JSNNMZJOXKQNIL-KRWDZBQOSA-N 423.608 1.601 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1359062000 SQIVQONIIPNUNG-UHFFFAOYSA-N 415.519 1.558 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359123959 ZQEARRHOXXUKEH-CHWSQXEVSA-N 403.464 1.960 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359135455 DNYOGHOYCRMKKT-ROUUACIJSA-N 403.527 1.856 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1359216098 PBJGRHNINGMMGJ-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359303452 PFPPRRBTFSKLJR-KRWDZBQOSA-N 415.542 1.353 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359341037 JUTPDGJKPZXQCN-MRXNPFEDSA-N 401.540 1.959 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359342536 ZWPIAXPVKPDTID-IAGOWNOFSA-N 409.556 1.780 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1359343740 ZRDLICABEBSCSB-HUUCEWRRSA-N 400.570 1.572 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1359514747 VZEOICJINUXAHZ-INIZCTEOSA-N 411.510 1.662 30 10 HDEE C=CCN(C(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1)[C@@H]1CCS(=O)(=O)C1 1359875107 HJSAWORDLZDRCB-OLZOCXBDSA-N 417.578 1.243 30 10 HDEE CO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCCC1 1441009801 KIINKQDRPIMSMG-IBGZPJMESA-N 405.520 1.986 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CC(c3ccccn3)=NO2)nn(-c2ccccc2)c1N 1441138179 QHFQFLRQGFAIQN-HXUWFJFHSA-N 415.457 1.963 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)c1 1452551618 PBITZBWGNBUBRG-GOSISDBHSA-N 408.520 1.448 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1OC 1452858298 BDWJLCJBTDBNNJ-IAGOWNOFSA-N 422.478 1.607 30 10 HDEE Cn1cc([C@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2)cn1 1454504880 GSXBGZJPFLTBAO-KBXCAEBGSA-N 412.881 1.471 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H](CO)c1ccccc1I 1456986726 MKWNGKAYLYYSER-LSDHHAIUSA-N 416.259 1.912 30 10 HDEE CC[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)C(F)F 1457859722 SOBJUVWGQRVSQH-XJKSGUPXSA-N 417.478 1.806 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1460568872 LZKBRJWXOBOZHI-IRXDYDNUSA-N 422.551 1.592 30 10 HDEE CO[C@@]1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCS(=O)(=O)C1 1462859886 DFFAOROLSKWZLT-LJQANCHMSA-N 404.444 1.664 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 1465803572 RPWNBIJXCJVLPQ-KRWDZBQOSA-N 423.535 1.908 30 10 HDEE COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1465872766 XSEPXCRSEXCEIY-ZIAGYGMSSA-N 414.462 1.496 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)C1 1466377445 TYEIXYQKHJQIJC-UXXRCYHCSA-N 400.397 1.776 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1466478067 RRHSKJWAMGSDAP-LSDHHAIUSA-N 403.545 1.728 30 10 HDEE COC(=O)c1cn(C2CN(C(=O)Nc3ccc(Br)c(C#N)n3)C2)nn1 1467117681 CYDSUUXPEGYBLG-UHFFFAOYSA-N 406.200 1.183 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCc3cc(C#N)ccc32)C1 1468914919 HMEMJFRNELZIND-MRXNPFEDSA-N 419.503 1.872 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1470162956 VIJGWVRCQFPPNY-UHFFFAOYSA-N 412.450 1.280 30 10 HDEE CCOc1ccc(-c2nnc(S)n2CCC(=O)N2CC[C@](O)(CC#N)C2)cc1 1472581337 CGSXICOYGBVMFW-LJQANCHMSA-N 401.492 1.900 30 10 HDEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1472626469 TYAJEFDHDFACPF-OAHLLOKOSA-N 407.414 1.436 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)CC1 1477802072 MRLFSSVKQNBQIY-OAQYLSRUSA-N 411.543 1.796 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCCN(CCOC)C(=O)OC(C)(C)C)n1 1478368423 OJYKTXWGERCXMJ-UHFFFAOYSA-N 407.515 1.931 30 10 HDEE Cc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492802010 CZTDWFIUCDSGMY-NXDJFEHLSA-N 400.483 1.366 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1499657490 AERBUZMPSKSXHF-YKHTYXQRSA-N 402.499 1.933 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1503276324 XMLZZJKKAIFBGI-LJQANCHMSA-N 417.539 1.800 30 10 HDEE CN1CCN(CCn2c(-c3cnccn3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1503684642 HRBRVNRMQYWZOT-QFIPXVFZSA-N 423.569 1.891 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1505046292 AXQYHTVZZHXPBZ-ROUUACIJSA-N 410.478 1.195 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1507612890 VXJLGPQYDGMYBY-UHFFFAOYSA-N 421.461 1.104 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC=C 1507672862 KIJNQUWDGGZPDG-UHFFFAOYSA-N 402.458 1.494 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCOCC2)CC1 1507723959 AUBVJQPKSDETQE-UHFFFAOYSA-N 422.577 1.655 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)CN(C)C2=O)CC1 1507724403 OMOUOUKEVBHUDZ-QFIPXVFZSA-N 410.497 1.242 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1507773644 UVYRZAYFWDEKOO-XQBPLPMBSA-N 400.571 1.800 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1507981500 JTTCNLWEEJIIBJ-UHFFFAOYSA-N 402.480 1.772 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1508087245 OFQZLSJSRQHOLE-ZWKOTPCHSA-N 424.505 1.418 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1517840659 GEEVRWUIUMOERD-DLBZAZTESA-N 415.494 1.532 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(C#N)nc2)s1 1521040452 UMALTKARJYGDJU-UHFFFAOYSA-N 406.533 1.947 30 10 HDEE Cn1c(=O)c2cc(NC(=O)C3(c4ccc(C#N)cc4)CCCC3)cnc2n(C)c1=O 1525049525 BLNLOHUAKRNMGA-UHFFFAOYSA-N 403.442 1.954 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1538540424 WIZYSUNFSGVZRY-XPTSAGLGSA-N 414.237 1.368 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1538963091 ARSFRHUUAUTSGE-AWEZNQCLSA-N 416.913 1.798 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCOCC1 1539037445 FUOIXXFNSRGVON-SQNIBIBYSA-N 405.543 1.571 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1539097499 OVLXFYXWLQRIQO-AWEZNQCLSA-N 421.299 1.400 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1 1539295993 IZUGMEBBCSHMEM-INIZCTEOSA-N 417.510 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(C)(=O)=O 1539304885 ITIJHDBCHAZFQK-UHFFFAOYSA-N 401.448 1.361 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(F)c2F)CC1 1539443971 CXXXUIAAHBFZFI-UHFFFAOYSA-N 411.460 1.955 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cnn(C)c2)CC1 1539482582 VFRXKKNUFVAWOZ-SFHVURJKSA-N 411.510 1.267 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(NC(=O)c2ccc(C)s2)CC1 1540863968 LGWWQSMHGAJTFR-UHFFFAOYSA-N 402.524 1.657 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540870140 FXXLHBFEGYZDIS-WMZOPIPTSA-N 402.543 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1540900666 DDYBPDJMVXNDLK-SJORKVTESA-N 417.535 1.804 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1547313926 SSFPEAHXLFHELM-OAQYLSRUSA-N 410.478 1.291 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1555988712 MGSUSBRNILHUHG-ZWKOTPCHSA-N 410.478 1.324 30 10 HDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 1556538612 CABKPUWFFCIWNJ-IAGOWNOFSA-N 407.474 1.082 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)s1 1558036668 XHRFLZOUFDUMKG-MRXNPFEDSA-N 401.513 1.910 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 1558817726 SVSKNOINJNEKBO-YESZJQIVSA-N 417.510 1.777 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1558866838 VOFQQEUYWYDEQJ-UHFFFAOYSA-N 419.503 1.693 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1559835965 BMVKBVNNTVGSQZ-BRWVUGGUSA-N 411.424 1.835 30 10 HDEE C=CCn1cc(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1 1564958447 UECQUBOMNWGAET-UHFFFAOYSA-N 423.456 1.675 30 10 HDEE C[C@H]1CCS(=O)(=O)CCN1C(=O)COc1ccc(C#N)c(Br)c1 1567558936 BFTIYFRXPWPBGV-NSHDSACASA-N 401.282 1.735 30 10 HDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)NCC#CCO 1568141931 JHTCOLDJNRIJSI-INIZCTEOSA-N 404.467 1.467 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1CCCC2(CC2)S1(=O)=O 1583497735 JRYJUUFLNNNKJI-UHFFFAOYSA-N 400.464 1.344 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccc2OC)CC1 1587909563 NPQUKGHXNWGLGE-HNNXBMFYSA-N 417.535 1.698 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588053657 GTARIZMDJYSIKS-HUUCEWRRSA-N 414.478 1.597 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588054474 NQLWPEVMTDQTQB-XWTMOSNGSA-N 422.551 1.224 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(OC)CCOC1 1589164598 VTTGPAYHPPWFNW-QHAWAJNXSA-N 404.511 1.728 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1594733616 WHBFWLHLWSSQBV-NVXWUHKLSA-N 420.539 1.458 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595561932 HTJCVIALGOCLJQ-XJKSGUPXSA-N 404.540 1.797 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC 1596595476 JLYLROIGKMLNST-OAHLLOKOSA-N 411.476 1.636 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC 1596778568 VCXIYRKGUDIORJ-OAHLLOKOSA-N 402.900 1.670 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1598158568 HXGYZPOWIWTSRM-MRXNPFEDSA-N 412.494 1.726 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ccccc1Cl 1609506588 DAEWDIWGBLRFGZ-CQSZACIVSA-N 418.885 1.877 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@@H](C)N(C)C)CC2)c1C#N 1612469526 BHJYDEOEWMYHQP-MRXNPFEDSA-N 413.574 1.667 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CC[C@H](C(F)(F)F)O3)CC2)cc1 1616239073 JHHLTYDZXDSAHT-GDBMZVCRSA-N 403.426 1.974 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3cnn(CC4CCC4)c3)CC2)o1 1620654343 DUAZNSHDWMXISU-OAHLLOKOSA-N 411.510 1.851 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C 1622324919 FFDDOXKYPVPCII-UHFFFAOYSA-N 415.533 1.673 30 10 HDEE CC(C)(C)OC(=O)Nc1ccn(C(C)(C)C(=O)N2CCN(C(=O)CC#N)CC2)n1 1622396078 RQZVRALFOMKMAP-UHFFFAOYSA-N 404.471 1.550 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C1CCOCC1 1623074130 QDLTXERTBIFYEZ-HXUWFJFHSA-N 414.506 1.532 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1ccc(F)cc1 1627743388 CJQVJQXEXDDYTF-KUHUBIRLSA-N 417.462 1.964 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 1629660063 SBQNMTNKNQYOSS-UHFFFAOYSA-N 408.524 1.494 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1630030323 CFAMFHDVFSRZAE-AWEZNQCLSA-N 417.466 1.116 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(O)CN1C(=O)C(C)(C)c2ccccc21 1632227373 CUIMIKDVASCFHG-QHCPKHFHSA-N 414.502 1.865 30 10 HDEE CN(CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)CCOCCO 1636642807 MZGNLEZKRCDKQS-UHFFFAOYSA-N 422.957 1.875 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21 1636683350 CSNJHKXVERDWQU-IRXDYDNUSA-N 401.492 1.329 30 10 HDEE C#CCOCCN(C)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1637865037 PPXUBGNDBCGRRF-UHFFFAOYSA-N 410.492 1.015 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC(CC#N)CC2)C1 1638375021 CCCPTRMTPOWLEH-DNVCBOLYSA-N 411.524 1.420 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](Cc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1638837544 APUIGEPABAIDIE-IBGZPJMESA-N 416.441 1.766 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(CO)(C(F)(F)F)CC2)cc1 1639843009 AFQIQIIFJDMRIS-UHFFFAOYSA-N 404.410 1.636 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2CCC)CC1 1640201894 PNTAJQZJDXNRDZ-FGZHOGPDSA-N 410.562 1.428 30 10 HDEE C#C[C@H](CO)NC(=O)c1cn(C)nc1[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1641574561 OVJHNYAQFHHKGH-QZTJIDSGSA-N 410.474 1.660 30 10 HDEE C#CC[C@H](COC)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1641843553 QRZGWODLTRSZKD-LLVKDONJSA-N 412.817 1.792 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CCc2cnccn2)CC1 1643281788 YZBWIJDFQSSVBG-UHFFFAOYSA-N 418.505 1.327 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)C4(C#N)CCC4)C3)[C@@H]2C1 1643335012 HEAPIUGOYHEJAT-ZNMIVQPWSA-N 404.467 1.721 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1643396963 RUSSPQVTKXKELD-QHAWAJNXSA-N 405.495 1.843 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCN(C(=O)C(F)(F)F)C3)cc2C1=O 1643909860 GFEWTJPDXVLZDD-LBPRGKRZSA-N 423.391 1.999 30 10 HDEE COC(=O)C1CC2(C1)CN([C@H](C)C(=O)NC1(C#N)CCC1)C[C@H]2C(=O)OC(C)(C)C 1644460391 CSJSFGZKWGQWBG-XAHBDIOTSA-N 419.522 1.780 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)[C@H](C#N)CCc1ccccc1 1645565282 ZGFYUWSXDCMNQX-PGRDOPGGSA-N 417.506 1.874 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1649537778 DYFVTKPLORPULO-BBTUJRGHSA-N 405.543 1.497 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1649542470 MMAYHVFURGIJCI-UHFFFAOYSA-N 410.425 1.790 30 10 HDEE C[C@@](CO)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(Br)c1 1653411358 YJWNTCZJPMMPMJ-LJTZQCLUSA-N 422.279 1.689 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3NC(=O)C[C@H]3c3ccccc3)C2=O)cc1 1654089070 HALJGVSWDQREBU-ROUUACIJSA-N 417.425 1.768 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)C1 1656883934 PCBGMKVVDSKDDU-LLVKDONJSA-N 402.270 1.733 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)C1 1656884256 VICMJEOOVBGHRL-INIZCTEOSA-N 413.565 1.359 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F 1659671940 BUSMQNODRSJCCP-GFCCVEGCSA-N 419.544 1.982 30 10 HDEE CS(=O)(=O)c1cccc(CS(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 1663281722 GTCAAZMZOITWNR-UHFFFAOYSA-N 406.485 1.555 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)CC1 1668614926 OSGQZVWQMARTSP-UHFFFAOYSA-N 407.492 1.472 30 10 HDEE C=CCONC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1686482674 CWUHAUXJECLYEG-JKSUJKDBSA-N 423.514 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1689852739 JYHYMKLNHNHRSR-HOCLYGCPSA-N 409.556 1.505 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)C(C)C)CC1 1689943569 VNNYWGNDDGSDEZ-ROUUACIJSA-N 403.527 1.720 30 10 HDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1690313290 PMRDCDGUIPJDHV-SFHVURJKSA-N 413.478 1.662 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1690414881 OQDXKICROZESMO-SFHVURJKSA-N 418.567 1.977 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690522683 KQFBTCDFASFFAN-NVXWUHKLSA-N 419.555 1.505 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCOC[C@H]1C 1690669744 NSKBTOXIQDUSCW-CYBMUJFWSA-N 409.450 1.121 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC(C)(C)C1 1690676281 VKHYSPBPLBBDHW-UHFFFAOYSA-N 415.494 1.783 30 10 HDEE CN(CC1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696767949 GSOCXBORCKQHAG-ZZEZOPTASA-N 414.510 1.935 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1698488514 PSIGIMWVUONBGT-CQSZACIVSA-N 424.383 1.681 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705508123 PPMPAHUBZMPSQJ-KRWDZBQOSA-N 421.567 1.721 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705605654 QFAISOAFSJJVEP-KRWDZBQOSA-N 417.432 1.457 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705658492 RGGPFPOBPKILJQ-GOSISDBHSA-N 401.496 1.076 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705725354 WJEYRMHLYDAMNQ-SFHVURJKSA-N 402.543 1.840 30 10 HDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1705737596 VXMSKZACVQOWPP-CRAIPNDOSA-N 413.478 1.695 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(CCCN2CCOCC2)CC1 1705892653 VYWOKECBIMMNDA-UHFFFAOYSA-N 416.570 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1705899696 CXHAJDRHGXYEAK-OAHLLOKOSA-N 413.526 1.707 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1706072475 CYYBLROFGDRVTP-KGLIPLIRSA-N 402.455 1.407 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1706603073 ICFNOQUATMHXFB-LJQANCHMSA-N 417.420 1.636 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1706749718 BNPHRSZXBSUSRQ-OAHLLOKOSA-N 402.524 1.827 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCCc2ccccc2)o1 1707385492 HVNULAIKMWEVAQ-GOSISDBHSA-N 420.473 1.934 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1707574651 ZNNBLZQMWOZUNJ-RBUKOAKNSA-N 424.505 1.639 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1711302011 BNGCPXIFFLRKJL-OAHLLOKOSA-N 412.494 1.177 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1712049964 YVNABUOWYCENCZ-IIMDRIAPSA-N 419.526 1.863 30 10 HDEE COC[C@H](C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712137907 GLDDWHAJKPMQDZ-SJLPKXTDSA-N 411.510 1.658 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(C)=O)CC1 1722306360 KBTAPBQWKWHQKO-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1=CCCOC1 1722346383 PPDRILUHBDQAFL-UHFFFAOYSA-N 415.519 1.612 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1722377634 DBSPIMHATVXGOL-GOSISDBHSA-N 411.531 1.750 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1722671140 JVRIATRSKLRFOA-ZWKOTPCHSA-N 402.543 1.764 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1722688889 NWIIBCZVKFLXBH-UHFFFAOYSA-N 402.886 1.505 30 10 HDEE CC(C)(Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1)N1CCOCC1 1723033360 CPAQEVXXUWUAHQ-SFHVURJKSA-N 423.521 1.239 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 1724011323 ZEGHZSRHOBXNCG-KXBFYZLASA-N 423.539 1.116 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)c1 1730016159 DXLFXNVXHDPITE-IBGZPJMESA-N 412.429 1.696 30 10 HDEE COCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730438146 UTXUJMSHVYFKEI-CQSZACIVSA-N 412.494 1.990 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccncc1Cl 1730876758 PYGJALOJJCWOCA-HIFRSBDPSA-N 406.874 1.828 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCN(C)C1 1730943225 FRBOJYUKKBSWAV-WFXMLNOXSA-N 418.542 1.199 30 10 HDEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 1740299415 BDGNNPNYLJLUMD-MGSPEMMDSA-N 400.475 1.594 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1740554053 VVUJYNQFACRNAY-WMLDXEAASA-N 421.523 1.327 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740592975 OMCMZILEICWQOR-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ncc(CC)s2)CC1 1740688238 CDPZOYCBZGIMFC-UHFFFAOYSA-N 413.551 1.337 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCC[C@@H]2C)CC1 1740693098 TXZYAXIXLOYTTO-UGKGYDQZSA-N 416.570 1.170 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1740957426 NPDMIZAMVLOQHV-KRWDZBQOSA-N 406.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C)[C@@H]1C 1740966016 OEGFOFVELYMBKB-IVSAIRAKSA-N 409.556 1.635 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@](=O)C(C)(C)C 1742838528 ZOATXNDIACJFRA-NDEPHWFRSA-N 401.540 1.727 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1742906460 JEOFXSIWZOMZKS-FHLIZLRMSA-N 410.478 1.024 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)NC(C)C)CC1 1748987129 PXLRBYAECXOVOV-UHFFFAOYSA-N 419.533 1.717 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1749019970 HHERDBBSNXTCSW-STQMWFEESA-N 419.473 1.939 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749082986 KJUXBVXMHUCQRZ-QWRGUYRKSA-N 414.260 1.439 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749266476 ICMDZSGHSBXFFJ-INIZCTEOSA-N 408.934 1.673 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749471558 QHGOJRRMMPJXBT-OAHLLOKOSA-N 405.524 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1749670380 QLGVSVKVDVHUSZ-SFHVURJKSA-N 413.526 1.648 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCS(C)(=O)=O)C1 1749717277 ILJVAONHHKWTDA-SFHVURJKSA-N 420.535 1.991 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1750070098 PZKILLGVZWXYMZ-ZDUSSCGKSA-N 401.471 1.516 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1750386056 GMCRZBXAVDACEO-OLZOCXBDSA-N 421.395 1.818 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)F)CCO1 1750386558 MQANEUJKQQDESE-CQSZACIVSA-N 408.365 1.864 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1 1760194543 LFBJVIGXMJTGJM-HXUWFJFHSA-N 405.502 1.752 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1760228071 USTFUJOJMAQZAR-DENIHFKCSA-N 419.570 1.747 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCOCC1 1760239045 USLCZTVXSGTFBY-QYZOEREBSA-N 405.543 1.430 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760325696 RSNFBMMFMZHGMH-QRFRQXIXSA-N 410.522 1.912 30 10 HDEE C=CCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760513016 GNIXEBSUPDRYIY-WIYYLYMNSA-N 404.559 1.332 30 10 HDEE C=CCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513057 ICSMENMARBQHFK-MNVSYLFESA-N 404.515 1.937 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1-c1cnccn1 1760528903 QIQWWYRFBODIIM-ZDUSSCGKSA-N 401.381 1.558 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760559212 KNWIPLLYNHCTRV-OAHLLOKOSA-N 406.556 1.537 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1760934284 ZOCDUQMPXPAATD-UXHICEINSA-N 415.586 1.815 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1766222505 HSPHASKJUSGGMW-CQSZACIVSA-N 403.874 1.639 30 10 HDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1766915774 DLPSHUOIOBSJEX-KNBMTAEXSA-N 406.506 1.928 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnc2n1CCC2 1769982688 JOQVIIZWXDNFMN-HNNXBMFYSA-N 414.514 1.718 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1770740091 IXBRBGLLARKTNR-CQSZACIVSA-N 423.399 1.426 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)CC1 1770751330 GKLUVCIMBOGXCO-SFHVURJKSA-N 416.526 1.840 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCOC2)CCO1 1770751747 LZRHBNBVAJXSIK-LSDHHAIUSA-N 416.507 1.425 30 10 HDEE COCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771276453 APAOBUSLSWFETL-SFHVURJKSA-N 416.551 1.770 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2)[C@H]1C 1772566375 IGAINJUBVCNFRP-NXHRZFHOSA-N 408.506 1.914 30 10 HDEE C#CCCN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)CC1 1850901182 NKSHTOHDLJQMOT-UHFFFAOYSA-N 402.520 1.917 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3cccc4c3CCCC4)C2)NC1=O 1851230277 JJVXADHMQQOGEJ-CQSZACIVSA-N 408.458 1.239 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C#N)cn3)CC2)cc1 1851910195 XGTHRDGEQDBPJP-UHFFFAOYSA-N 414.487 1.425 30 10 HDEE CN1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)c2C#N)C1 1852530532 RZUGORAZSYFBCL-CVEARBPZSA-N 414.531 1.987 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(CCOc2ccc(C)nn2)CC1 1852667549 DFMJLWXZBXUULD-UHFFFAOYSA-N 411.462 1.267 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3cccc(F)c3)C(=O)C1=O)OCO2 1852848959 OOHYAACLTPGSBH-UHFFFAOYSA-N 409.373 1.366 30 10 HDEE NC(=NOCCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1 1853416629 BCAUETASUXDJLR-UHFFFAOYSA-N 404.854 1.945 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1=O 1853683740 ZDPUPFPJZZQJES-UXHICEINSA-N 413.518 1.864 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CC=C(c4cccc(C)n4)CC3)C2=O)CC1=O 1854129155 AWDPGISJMGVHPS-ICSRJNTNSA-N 408.502 1.641 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1=O 1854211392 VHTVZCPZWQSMAP-IAGOWNOFSA-N 400.479 1.329 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)CCOc3ccc(OC)cc3)C(=O)C2)C1 1854408553 HXRNIKGCAPNBHG-SFHVURJKSA-N 401.507 1.785 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(Cc3ncno3)c3ccccc32)CC1=O 1854719754 HKHXSKFEEDDHKA-CABCVRRESA-N 409.446 1.620 30 10 HDEE C=CCCN1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)C12CCCCC2 1856216669 MLVWFBCTQFNCEC-KRWDZBQOSA-N 401.511 1.878 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)C4CCOCC4)C3=O)CC2)c1 1857032829 KUPBCNHWJRPRHC-IBGZPJMESA-N 412.490 1.598 30 10 HDEE COc1cccc(CCNC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858422312 QXVGTACDPANCMY-SFHVURJKSA-N 413.499 1.936 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCN(C)CC2)=C(N)Oc2c1c(C)nn2C 1865228143 YANPYYWKBBKROL-LJQANCHMSA-N 423.517 1.762 30 10 HDEE C=CCOc1cn(Cc2ccc(F)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870386509 SMYRXQIXGJBFTO-UHFFFAOYSA-N 401.482 1.710 30 10 HDEE O=c1c(Cl)c(N/N=C/c2cccc([N+](=O)[O-])c2)cnn1[C@H]1CCS(=O)(=O)C1 1873528816 ICVYTLFZWFNJPS-SMWBLXLWSA-N 411.827 1.611 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCOCC3)ncnc21 1873561467 MKNUEFRTYKSWKD-UHFFFAOYSA-N 403.483 1.189 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714019 QRNQAJWDIIRKOJ-ONGXEEELSA-N 403.526 1.857 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN1C(=O)OC(C)(C)C 1900398244 SUUBWSDZMPEVEQ-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C#N)C1)NC(=O)OC(C)(C)C 2118165626 CYYCDTKOTVHKRP-OCDDVZBJSA-N 408.546 1.478 30 10 HDEE Cc1cc(S(=O)(=O)N=c2nc(CNC(=O)OC(C)(C)C)[nH]s2)ccc1C#N 2187515643 MFSPOOSYJGICRE-UHFFFAOYSA-N 409.493 1.966 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2243390444 VNWFDLDTOWVOQI-LBPRGKRZSA-N 408.260 1.860 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2243398731 SVQXFDPKLJNKFJ-CYBMUJFWSA-N 407.320 1.967 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243424479 RURRMADDPWBUAJ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826115 OILPBYOJOBBGSI-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE CCn1cc(C(=O)NCCNOCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2247838833 OAIDXRNCDHUDPO-UHFFFAOYSA-N 414.315 1.653 30 10 HDEE C[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247847775 BLMMNKLVUWCEOS-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE Cn1cc(C(=O)NOCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247915265 YKPHWLZHRKDAHK-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE Cn1ncc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247916235 SQPCFJACBRINBZ-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247920341 YFDYGWKDYSPBFF-UHFFFAOYSA-N 420.275 1.057 30 10 HDEE CN(CCN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247929699 OUGWCOIEXLOXIS-UHFFFAOYSA-N 420.319 1.715 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247930415 SBRSOBHSSWBNSQ-KBPBESRZSA-N 418.303 1.561 30 10 HDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248406174 WCJUXDDWZRKIKN-UHFFFAOYSA-N 418.303 1.809 30 10 HDEE Cn1cc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)c(=NC(=O)OC(C)(C)C)[nH]1 2249998553 KNLCWWNUJUUOEY-UHFFFAOYSA-N 418.303 1.944 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2249999367 VEYGMJGMOYQFDL-CVEARBPZSA-N 422.331 1.745 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2256058873 JSWFUZQXYIHHEH-UZUQRXQVSA-N 420.322 1.780 30 10 HDEE N#CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258170061 LHDHLSATKYAKDT-NWDGAFQWSA-N 423.369 1.130 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)C(C)C)NC(=O)OCc1ccccc1 2258182728 GRYNRCCFTNDZJS-MRXNPFEDSA-N 411.480 1.408 30 10 HDEE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2281999994 IYYNWGZHXPNLPZ-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NCC[C@@H]2CCCS2(=O)=O)OC1(C)C 2282140279 RXZDBWMSAPIWPV-NSHDSACASA-N 400.331 1.139 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(C)CCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282308254 OYGTYEPLUROKIX-QGZVFWFLSA-N 400.375 1.728 30 10 HDEE CCOc1n[nH]c(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2282345319 OOTMTNIKCAUGMB-UHFFFAOYSA-N 400.291 1.365 30 10 HDEE CCN([C@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282347428 YDQNULFQINSVSM-STQMWFEESA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2(CCO)CCC2)OC1(C)C 2282490058 GGONOXHKRKJPLE-UHFFFAOYSA-N 402.347 1.167 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCOCCOCC2)OC1(C)C 2282491324 LFFMPTLWAXPFNR-UHFFFAOYSA-N 403.331 1.085 30 10 HDEE CNCC[C@H](C)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506559 UGRMFZNAHXSKJQ-ZDUSSCGKSA-N 402.391 1.807 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282539131 PNBQDYHZNRYXNC-NEPJUHHUSA-N 401.359 1.941 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CC1 2282602519 UAVVZNRENVJELZ-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282611453 LHIJEJSCCIEERC-LLVKDONJSA-N 402.347 1.338 30 10 HDEE C[C@H]1[C@H](O)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833840 LHCZBDOHFLQIST-WCQYABFASA-N 402.347 1.117 30 10 HDEE CON([C@H]1CCOC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282838104 JGJBKBPSLLCFHW-LBPRGKRZSA-N 403.331 1.697 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839528 FLQAJENQPUSJHK-STQMWFEESA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@@](=O)[C@@H](C)C1 2282841657 PEXZZQHVOPUKAO-JPQMIFPKSA-N 419.399 1.497 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)N2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282841809 PWMVOHHNYJYSQB-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CCC[C@@H]1CNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282864000 BCQLQJPFRCIGAM-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282869624 FQVMBWCJRIAKSE-LBPRGKRZSA-N 400.375 1.653 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCSC1 2282875826 UWTPVZNKEQUKBX-INIZCTEOSA-N 419.399 1.848 30 10 HDEE CO[C@H](C)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284389697 OOKVRGOVLWGULC-KCJUWKMLSA-N 403.693 1.919 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)C=Cc2ccccc2)C1 2328071936 XIAMBCNGGIYGGC-PXNSSMCTSA-N 417.465 1.802 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2359282873 NOHTVTKXCGVMAZ-GHMZBOCLSA-N 423.749 1.081 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(CNC(=O)OC(C)(C)C)CCCO1 2365209779 XGBGYCMDTAKORF-HNAYVOBHSA-N 402.557 1.865 30 10 HDEE CC(C)[C@](C#CC(C)(C)S(C)(=O)=O)(CNC(=O)OC(C)(C)C)OCC(=O)O 2365240093 AYJCZQCOQBYZKM-SFHVURJKSA-N 405.513 1.834 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367784993 DAGCGTJRMOGKDB-DYVFJYSZSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 2367790901 ICDCCFKKDSUBBQ-CABCVRRESA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367792017 LADVCTVRABHFGN-QAPCUYQASA-N 401.525 1.782 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](CC)(C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2375780648 KTBHFNKGWUMAMG-LBTNJELSSA-N 404.529 1.808 30 10 HDEE O=C(CSc1nnc(N/N=C/c2ccc(Br)cc2)[nH]1)Nc1nnc[nH]1 21078248 GRMRHKUXWSHAOF-FZSIALSZSA-N 422.272 1.862 30 10 HDEE C[C@@]12C[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)C[C@]1(O)C[C@H](C1=CC(=O)OC1)C2 40180580 IQNBKMSBJXGCDH-NFIPBCMSSA-N 404.503 1.898 30 10 HDEE COCCN(CCOc1cccc(C#N)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 52470243 IXHKRHSIDMRYKN-UHFFFAOYSA-N 401.467 1.178 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)c1 90743823 YPVODLZFQZGANK-INIZCTEOSA-N 421.453 1.346 30 10 HDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(Cc5ccccn5)CC4=O)nc3c2)CC1 170178759 AXQHENHWPUZIRT-UHFFFAOYSA-N 403.490 1.422 30 10 HDEE CS(=O)(=O)OC[C@@H]1CN(c2cc(F)c(N3C=CC(=O)CC3)c(F)c2F)C(=O)O1 211164805 UXVMPWDAUDUEFA-JTQLQIEISA-N 420.365 1.698 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1OC 238953373 XKIMLDPLHJBZMF-ZDUSSCGKSA-N 404.448 1.598 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(Cc3cccs3)CC2)CC1 247660232 RUJKZIQQKSZZSB-UHFFFAOYSA-N 410.547 1.481 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 409990881 GNIWDXXSSCVAQH-GWCFXTLKSA-N 403.240 1.395 30 10 HDEE CC(=O)N1CCN(Cc2cccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)c2)CC1 427766321 XSBFTAKELMPEON-UHFFFAOYSA-N 413.503 1.727 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 432213824 GIZBNEJCBYZDQY-MAUKXSAKSA-N 416.565 1.880 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1)n1cnc(C#N)n1 466351065 ZXHGHZKSPHSMEP-YGRLFVJLSA-N 408.340 1.309 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(Br)cc2OC)C1=O 470837503 WCNXVVASHJPGNH-JTQLQIEISA-N 424.251 1.612 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 473322918 FVSGPIPWPZKGTP-KBPBESRZSA-N 403.508 1.797 30 10 HDEE N#Cc1cc(C(=O)NC[C@H](O)COc2ccc(I)cc2)ccn1 476328912 UHXOTWZTJDXARP-AWEZNQCLSA-N 423.210 1.728 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2S3)CC1 492319762 IBSLXSLRALQFEX-HXUWFJFHSA-N 400.504 1.062 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 508493672 ZANUDGNLEBMMEL-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508993557 DLKANBPGWREMLE-INIZCTEOSA-N 407.496 1.355 30 10 HDEE C=CCn1c(N2CCN(CCOC)C(=O)C2)nnc1C(F)(F)Oc1ccccc1 508997890 LLWASESYVMVXCF-UHFFFAOYSA-N 407.421 1.887 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 510584651 OOWCESLVNVBBQA-MRXNPFEDSA-N 403.435 1.656 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C 534052914 QWSDLWUQBYGCTM-PBHICJAKSA-N 421.519 1.948 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N(CCC#N)Cc2ccccn2)c1OC 540039894 CMJLEJQNWVBQMQ-UHFFFAOYSA-N 419.459 1.990 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 540822246 GZZKKFZMYQUTBM-AGYKMIKPSA-N 410.584 1.110 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)nc1 542463135 UTWJDWXSHWYEEH-NRFANRHFSA-N 416.478 1.825 30 10 HDEE CCOCCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546177956 CDRUPFHYPCETFM-UHFFFAOYSA-N 416.503 1.879 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 559028933 GHVPQKVWJRCQOO-HUUCEWRRSA-N 418.502 1.110 30 10 HDEE CC(C)(C)C1=CCN(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 576080071 MHFQTGGLOWRTFQ-UHFFFAOYSA-N 404.536 1.631 30 10 HDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCCc1ccccc1F 585673617 LAANQLIJNXIZSL-OLQQUCHKSA-N 410.405 1.558 30 10 HDEE COc1ccc(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC)c1OC 585780114 RLKGIWPBEBRJBZ-UHFFFAOYSA-N 415.421 1.698 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1COc2ccc(F)cc2C1 589530501 IVMHCXSPZWSOMX-MLGOLLRUSA-N 403.435 1.484 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590324358 LYDOTXVNBQPBRO-SJLPKXTDSA-N 404.474 1.901 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCSc1ccccc1 604505758 GDLCQGZBEVLFCK-UHFFFAOYSA-N 421.547 1.951 30 10 HDEE N#Cc1ccc(S(=O)(=O)CC(=O)N2CCOC[C@H]2C2CC2)cc1C(F)(F)F 617191022 RWSJHYCQLSURSD-HNNXBMFYSA-N 402.394 1.988 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619712987 IECKESWTWZROHL-INIZCTEOSA-N 400.526 1.373 30 10 HDEE C=CCn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 669817896 MVIPLEQIADGWLY-KRWDZBQOSA-N 406.494 1.781 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(C=NOC)cc2)CC1 727742703 ANUFTDJZHUEMCU-UHFFFAOYSA-N 416.503 1.537 30 10 HDEE C#CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCS(=O)(=O)C1 729330911 HPEAAPWQQUDTFE-MRXNPFEDSA-N 405.476 1.460 30 10 HDEE CCc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCOC)c1 730139943 STWSWOUMOBRLTJ-KRWDZBQOSA-N 406.552 1.895 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2ccco2)cn1 730145196 XTVKCFLPNJPDCO-MRXNPFEDSA-N 418.523 1.696 30 10 HDEE N#C[C@H]1CN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CCN1C1CC1 732672345 HMZMYGXDYCIOOP-MAUKXSAKSA-N 407.396 1.626 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)CCN1C1CC1 732706006 BAQCBPINWVJASL-LJQANCHMSA-N 418.457 1.471 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735309182 IPGXRHYIZOYLHU-MRXNPFEDSA-N 408.930 1.901 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)c1=O 742160751 FLSOXCBVKGHHMJ-QAPCUYQASA-N 416.453 1.102 30 10 HDEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 743183705 ORCJXJFBLQMRMB-INIZCTEOSA-N 414.491 1.480 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1N1CCNC1=O 744007742 RJQCPGQTQNNLJW-UHFFFAOYSA-N 414.443 1.356 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)cc1C#N 746725703 NNVYJDHKNSYSAQ-UHFFFAOYSA-N 402.476 1.962 30 10 HDEE N#Cc1cc(COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccn1 746966311 YLCVRZYZSFTDQZ-UHFFFAOYSA-N 405.407 1.470 30 10 HDEE COc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)c1 748064111 JYGMBAXFQLPERB-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 749517927 AVSNWRACMKADLQ-APWZRJJASA-N 403.479 1.342 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccn(C)c2)c1=O 763436552 HVOUNHRPTRORTE-UHFFFAOYSA-N 423.494 1.289 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4ccc(C#N)cn4)CC3)C2=O)C(C)(C)O1 764904259 JZTZBYWPTXDHND-OAQYLSRUSA-N 412.494 1.301 30 10 HDEE C#CCN(C(=O)Nc1nnc(Cc2ccccc2F)s1)[C@H]1CCS(=O)(=O)C1 774034426 AHBCEADOBWMUNX-ZDUSSCGKSA-N 408.480 1.922 30 10 HDEE C#CCN(C(=O)NCc1ccc(NC(=O)NC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774167913 MFOYXZKQCFGRAU-KRWDZBQOSA-N 406.508 1.548 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261689 CKKCCFCEZMYCET-ZTFGCOKTSA-N 411.474 1.542 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 775234147 SYDZTMQBQHHPRI-XHSDSOJGSA-N 413.540 1.606 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 782480643 CHALVDTYHAEEPL-FQEVSTJZSA-N 424.519 1.538 30 10 HDEE COC(=O)NCCc1ccc(S(=O)(=O)NCCNc2ncccc2C#N)s1 788038969 DHUCWMCRCMGPFX-UHFFFAOYSA-N 409.493 1.304 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C3CC3)c2=O)cn1 794608654 LDKLVRHGJXDYFG-OAHLLOKOSA-N 412.515 1.350 30 10 HDEE CN(C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@H](C#N)C1 800088247 UTCFGPDUCJEHKD-VFSICIBPSA-N 414.528 1.318 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 802578452 WQWYHEKJFHLOSV-QGZVFWFLSA-N 412.494 1.982 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)(C)C 807878274 KHCOOWPUQLDGGI-IRXDYDNUSA-N 408.520 1.880 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 809907684 PMMKRSKGTRSJDD-RDJZCZTQSA-N 412.494 1.981 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@]3(F)CCN(C(C)(C)C)C3)CC2)o1 811447677 NFJIMJNKQSMCKE-FQEVSTJZSA-N 421.473 1.259 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)c1 1126252768 CNNQOBHTOKUIHO-MRXNPFEDSA-N 402.495 1.793 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)C1 1128568543 HRBHMDDMIQVXNF-GBESFXJTSA-N 405.520 1.561 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)n1 1128672660 NQQNZNGDMGJELS-FQEVSTJZSA-N 410.474 1.902 30 10 HDEE Cn1nc(I)cc1C(=O)Nc1ncc2c(c1C#N)COCC2 1129872948 CINPIAMQYVZSHQ-UHFFFAOYSA-N 409.187 1.616 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1130824500 MVFOCQSNBLTUJQ-CYBMUJFWSA-N 419.409 1.890 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCc2ccccc2)c2ccccn2)C1=O 1132284205 AVCZEMRCEHNGTE-SFHVURJKSA-N 406.442 1.849 30 10 HDEE COC(=O)c1cnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc12 1134162216 NKMDJFIOMFURTL-UHFFFAOYSA-N 424.438 1.699 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c(OC)c1 1153327464 WEZRMHRQYMOVAE-FQEVSTJZSA-N 417.550 1.715 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c1 1154895250 LBHYKLSJMASWAS-GOSISDBHSA-N 401.492 1.360 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2c(C)nn(C)c2C)ccc1F 1159427033 QFBAPKLZMFLGNN-OAHLLOKOSA-N 410.471 1.104 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(CN4CCCCC4=O)cc3)C2)c(=O)nc1O 1159489545 GPGWMYBGIIRKDI-UHFFFAOYSA-N 407.430 1.030 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1 1171919818 KLKSFOLVSSPNRL-UHFFFAOYSA-N 423.510 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3ncc(C#N)cc3Cl)CC2=O)C1 1180000428 LAQOREXNSCRVHK-GFCCVEGCSA-N 419.869 1.557 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1OC 1187790134 GQJIBPNZIYOPKA-ZDUSSCGKSA-N 411.480 1.837 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1212123244 GXFGCBCLPVFVGS-INIZCTEOSA-N 412.533 1.192 30 10 HDEE CC(=O)N[C@@](C)(C(=O)Nc1snc(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 1270192314 YHTYKGSLAQKISC-QGZVFWFLSA-N 406.489 1.717 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286356887 CNICWJZJHVUFKN-DLBZAZTESA-N 409.490 1.994 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1286368105 VMZJEKIGJLLMBB-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OC)C(CC)CC)CC1 1286480545 YRJTXHYOQIVLEG-RTBURBONSA-N 416.570 1.826 30 10 HDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1286513291 SNTHURYQVRCAPO-BZUAXINKSA-N 405.568 1.875 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1286600440 MZWZWBMNVVUQJE-CYBMUJFWSA-N 410.500 1.032 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286630494 XZTXFVWISBEETO-KRWDZBQOSA-N 422.961 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)[C@H]1CC 1286778966 CESWQNKLNUJPBT-OAHLLOKOSA-N 402.886 1.616 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1288517200 ANSNGOFCZIBMDZ-GFCCVEGCSA-N 420.495 1.321 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCCN(c3ccccc3C#N)CC2)o1)S(C)(=O)=O 1292792722 POWBFJGJUNCXRC-UHFFFAOYSA-N 417.491 1.573 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1295687374 LSDUWVHUISOXRY-HTXNQAPBSA-N 408.466 1.498 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCc3ccc(C#N)cc32)C1 1296001062 YIYRPLBUSJAONY-INIZCTEOSA-N 419.503 1.872 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCCO[C@H]3CCCCO3)C2=O)cc1 1297421783 UBXSASJZSUDECW-HKUYNNGSSA-N 414.462 1.813 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCOCC)CC1 1300682959 UFJMITMORDTYME-UHFFFAOYSA-N 410.522 1.939 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1300778692 DSTOQXGJTRMIBJ-WOJBJXKFSA-N 412.519 1.786 30 10 HDEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1301208984 IAXRBNWHAJNCGL-GOSISDBHSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCC2(O)CCOCC2)C1 1301553380 LHBHTWOEXMNURH-QGZVFWFLSA-N 401.511 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1301568848 KXQKTOWVNBODMW-QGZVFWFLSA-N 421.567 1.320 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nn[nH]n2)ccc1F 1301885442 VGWBZFMXBDUKSI-UHFFFAOYSA-N 402.411 1.722 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 1303027002 VRALFGZIYODSLQ-UHFFFAOYSA-N 403.438 1.868 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN=S(C)(C)=O 1303894548 TUFAXZGCZOHBIL-CQSZACIVSA-N 414.553 1.128 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)C2)nc1 1303897744 CBASSUPJKGYLQV-INIZCTEOSA-N 417.466 1.474 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1 1309733617 QAUGTLUPHGDTGE-OALUTQOASA-N 408.520 1.993 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(F)cc1C 1312919135 QZRPDTOWNDUOKH-VQIMIIECSA-N 401.486 1.421 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)C1=O 1314921481 WEABUWHGAHTHBO-BFUOFWGJSA-N 418.860 1.945 30 10 HDEE COc1cc(C#N)ccc1OC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1348114685 KSIZSTHQLDIQNZ-ZDUSSCGKSA-N 403.435 1.940 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCOCCS(C)(=O)=O 1358880023 CPMZWUVUTMUNSQ-OAHLLOKOSA-N 406.508 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1358889840 HMPKCKYXNJDCNO-HOCLYGCPSA-N 420.510 1.972 30 10 HDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1358967249 GSUZQTNRWHPOAT-MRXNPFEDSA-N 416.503 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCn1cc([C@H]2CCOC2)cn1 1358998498 HODQZVQXFHEBSJ-AZUAARDMSA-N 408.506 1.993 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1359056493 GIQYKNGQFJQLTH-HNNXBMFYSA-N 422.580 1.225 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1359061215 VLGMRSVWZAKWRE-AWEZNQCLSA-N 403.483 1.674 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359134931 LVVVRKBHYADTTI-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)CC1 1359164853 BMQOLFFHALOQOR-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1359297731 AAPIVIFDBVCJDN-YPMHNXCESA-N 411.388 1.193 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359821518 MTNXWHZXILHQHQ-IGCQWYOMSA-N 414.510 1.620 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCS2(=O)=O)C1 1360784181 AARLTOAAQIZXPJ-ZRGWGRIASA-N 420.539 1.327 30 10 HDEE COCCOC1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1436302640 XNQTWUQVIIXGEW-KRWDZBQOSA-N 401.463 1.240 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3Cc4ccc(C#N)cc4C3)CC2)c1 1437124260 BVOZFAMRGCOIST-UHFFFAOYSA-N 424.526 1.861 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(NC(=O)OC(C)(C)C)ccn2)C1=O 1439343738 AQDMTBSENVBIHB-UHFFFAOYSA-N 417.422 1.022 30 10 HDEE CC[C@H](C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440350332 AHNRVFGOGKYGND-GFCCVEGCSA-N 400.298 1.832 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCCS(=O)(=O)C3)C2)C1 1444082096 OFFBUAILUQKNNK-YYHKSVKZSA-N 411.524 1.467 30 10 HDEE C#Cc1ccc(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 1449277381 ZGFDSAUCQMZWNH-SFHVURJKSA-N 405.502 1.244 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@](C)(C(=O)OCC)C3)ccc2c1=O 1454970794 JPCFSNVJZABZLB-FQEVSTJZSA-N 417.487 1.665 30 10 HDEE Cn1c(O)nc(N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)cc1=O 1458275794 GQSVJPXACOPKSN-CQSZACIVSA-N 404.268 1.635 30 10 HDEE COC(=O)[C@@H]1Cc2c(C)cccc2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1462079751 CXYWBMNTOQPUGR-INIZCTEOSA-N 413.455 1.164 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1464700334 HZDXQNHZGUAEMO-UHFFFAOYSA-N 420.441 1.755 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 1467503765 LISNDBDTMSVUQZ-SUMWQHHRSA-N 410.467 1.420 30 10 HDEE C[C@]1(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)N1 1467700473 RAVIQMZHVHREQQ-FUHWJXTLSA-N 410.927 1.521 30 10 HDEE C#CC1(O)CN(C(=O)NCc2cc(Cl)c(I)cc2OC)C1 1469974594 VTKFMODWDHJSAP-UHFFFAOYSA-N 420.634 1.843 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)cn1C 1471086552 XMXNRYNJYAHSEX-UHFFFAOYSA-N 403.464 1.111 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)CO2)CC1 1471224186 CNGQUKCCDDCDGI-KRWDZBQOSA-N 421.538 1.962 30 10 HDEE COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1504059950 AUSURWDQXZMZRE-LSDHHAIUSA-N 420.539 1.992 30 10 HDEE CO[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504488974 CUWZAFJPOCYZNE-SCYHOBCLSA-N 416.482 1.271 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1507518401 LPNAYLSWESGQEK-AVRDEDQJSA-N 419.570 1.887 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1507615673 AEUUUDFIINBTNR-MRXNPFEDSA-N 418.519 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507651408 AANUCHWLBCKGLM-KRWDZBQOSA-N 400.446 1.135 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)C2CC2)CC1 1507739050 LKGIMVHWHDFSEG-VGSWGCGISA-N 415.538 1.299 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508082566 ULCNFBAJYPJRNY-GOSISDBHSA-N 409.538 1.955 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508086145 YAXMFNNYRWEFCY-GOSISDBHSA-N 410.522 1.698 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1508422979 HSAFOUUEOALYQN-CQSZACIVSA-N 408.503 1.543 30 10 HDEE Cc1cnn(CCn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1511424680 RGZXAKBLYGDNRV-FXAWDEMLSA-N 415.498 1.253 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1525109339 KWXSKMOBPJEJPL-INIZCTEOSA-N 404.422 1.966 30 10 HDEE C=CCc1cc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc(OC)c1OC 1525426890 HIEZXTQWXYNHAL-UHFFFAOYSA-N 417.550 1.959 30 10 HDEE COC(=O)CC1(NC(=O)COc2cccc(Br)c2C#N)CCOCC1 1533174136 HILCNHZRFCJHQC-UHFFFAOYSA-N 411.252 1.928 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1533918655 FVZVKHCCZMYHEF-WMZOPIPTSA-N 411.462 1.090 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C1CCN(C)CC1 1536121625 BVZVETSKLJLWNP-AOMKIAJQSA-N 402.539 1.679 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)Cc1ccc(Br)cc1C#N 1537508866 FYFRBISCYSYREC-KRWDZBQOSA-N 405.252 1.808 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1539013013 HOYZWFDWOLYQNU-AEFFLSMTSA-N 407.584 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1539336827 HUVRBZAAVXFEMU-QFIPXVFZSA-N 411.481 1.526 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN(C)S(=O)(=O)CC)CC1 1539431405 ROMNUPNEYHJOMZ-KRWDZBQOSA-N 410.588 1.218 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCc1ccn(C)n1 1539534714 XSWIMYDXZISJQD-OAQYLSRUSA-N 404.478 1.894 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)=O)CC1 1539612311 KNMBCYALHOVXNU-SJLPKXTDSA-N 418.542 1.502 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1539722097 KKIBZJNMGOOIGW-KRWDZBQOSA-N 420.558 1.750 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1540069522 RPNGRGCMTGKBIC-ZDUSSCGKSA-N 407.496 1.453 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)c1cc[nH]n1 1540530699 MJQMZSHKSOMQAZ-SFHVURJKSA-N 413.478 1.647 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1540900663 DDYBPDJMVXNDLK-DLBZAZTESA-N 417.535 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H](C(=O)OC)C1 1540906967 ICTUBRIOYBUAGO-INIZCTEOSA-N 410.540 1.611 30 10 HDEE CC(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)cn1 1541013366 HHCDDHPFVQFQJI-IBGZPJMESA-N 407.413 1.579 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1541277346 GLYKUXCFAFJPJA-INIZCTEOSA-N 422.555 1.082 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2CCN(CCN(C)C)CC2)c1 1542938447 CIDSMQFDAAIUQI-UHFFFAOYSA-N 405.564 1.487 30 10 HDEE CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC1 1544457373 FAICSWOPYYBYKN-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1544784749 DLLUNABOZNVPKK-RDBSUJKOSA-N 412.464 1.069 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCOCCCO)c1 1555987379 FYLFLMYGTMPWNN-HXUWFJFHSA-N 410.522 1.890 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 1556828536 VHIMFZVNNYKMSI-DENIHFKCSA-N 401.507 1.874 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)cc1 1557438344 RDJSHPXHXHDYNZ-QGZVFWFLSA-N 421.482 1.796 30 10 HDEE Cc1c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1557916550 MBDGDZJSHMKVEJ-QFIPXVFZSA-N 418.457 1.033 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(C#N)cc1 1559902715 DYLKOCMLWPZBNE-MRXNPFEDSA-N 407.492 1.328 30 10 HDEE COc1cc(C#N)ccc1OCCN1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1560117515 BGYHMGTWZOARRL-UHFFFAOYSA-N 416.478 1.367 30 10 HDEE COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 1560149966 DWHBAGJRCJOZTH-POAQFYNOSA-N 416.497 1.666 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NCCS(=O)(=O)C2CCOCC2)c1 1564072837 AWZNGYFEJBOQDU-INIZCTEOSA-N 409.508 1.761 30 10 HDEE Cc1nc(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n[nH]1 1565661400 BRBUGCGOZJHZQQ-OAHLLOKOSA-N 403.284 1.827 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1565828752 XHJDZMYMXZJOJD-UHFFFAOYSA-N 414.487 1.692 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CCOCC1 1567046872 IKQVZMUUZWRKSV-MRXNPFEDSA-N 412.439 1.211 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1569721355 FXASMBXUGXZFES-RBSFLKMASA-N 400.504 1.446 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)C1 1570833879 NIDQTMOXKOSSCL-OAHLLOKOSA-N 417.491 1.572 30 10 HDEE C#C[C@@H](NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C1CCOCC1 1585148614 DWGOFUPXHDYXSC-MRXNPFEDSA-N 409.508 1.427 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1588011684 IDCHLRMFGRSGAK-UHFFFAOYSA-N 413.503 1.765 30 10 HDEE C#CC[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1588167454 WZBRJOGMSIAOJE-INIZCTEOSA-N 418.515 1.730 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2CCOC[C@H]2C1 1594521934 TZUQILZQNPADSU-QGZVFWFLSA-N 402.543 1.524 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1594624960 CVHUIXPECOSPMK-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](CC)C1 1595544771 LCEBFXMPRXPBJB-QGZVFWFLSA-N 424.553 1.991 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H]1C 1595576905 BJONHBJQNFCNLG-KGLIPLIRSA-N 402.524 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1595804492 AHHNUZFMZVHGQP-UHFFFAOYSA-N 411.572 1.430 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3c(=O)nc(O)c4ccccc43)C2)nc1 1611666893 GNBRVVMIOJYHMF-OAHLLOKOSA-N 404.430 1.472 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)n1 1612493270 PPGNQXUDZRZMGV-YLJYHZDGSA-N 417.489 1.777 30 10 HDEE COC[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1617506609 VFXAEMVLNMLQGC-GOSISDBHSA-N 407.536 1.994 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1617930353 BBTDCHNGFMUXDS-OPAMFIHVSA-N 406.442 1.901 30 10 HDEE Cc1cc(C(=O)OC(C)(C)C)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1618171702 IUAYALNAGAQLMA-OXJNMPFZSA-N 404.488 1.961 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1618815820 RZLDQJPCATVKSI-UHFFFAOYSA-N 410.478 1.482 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)n1 1619980459 JVGDJDOQVOINLR-OAHLLOKOSA-N 402.503 1.503 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1620175823 ANECAQYYRGRGEA-GOSISDBHSA-N 424.477 1.389 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](F)(C#N)C1 1620175841 AUTLODRIBJKNBR-INIZCTEOSA-N 412.878 1.590 30 10 HDEE COC(OC)C(=O)N1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1620315732 XZUVGGYPEOAAFQ-LBPRGKRZSA-N 406.508 1.199 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCc2ccco2)CCO1 1620356295 WDMTVFKYWNBHCU-INIZCTEOSA-N 412.475 1.569 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1ccc(C#N)cc1Br 1620485807 NLKVQGVWBIMTQU-ZDUSSCGKSA-N 401.282 1.483 30 10 HDEE N#Cc1cccc([C@H](NCC(=O)N2CCN(c3cnccn3)CC2)C(F)(F)F)c1 1620526767 SHRVGHFDDXPFJD-SFHVURJKSA-N 404.396 1.890 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H](C)[C@@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1622057946 CSFMPFSOPGNTCK-IGOJGBNBSA-N 409.490 1.483 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1nc2c(s1)CCC[C@@H]2C(=O)OCC 1625240449 IOHSUUIMHYTXGM-NSHDSACASA-N 401.510 1.848 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCc3ncncc3C2)nn(-c2ccccc2)c1N 1625332100 LHXFSHJTXRPYFO-OAHLLOKOSA-N 401.474 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)Cc2ccc(C#N)cc2)C1 1625807737 KHDXDXGQGPKPIO-QGZVFWFLSA-N 421.519 1.641 30 10 HDEE CCCS(=O)(=O)Nc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(F)c1 1627809012 XSRFTYDMNKYDSY-ISLYRVAYSA-N 424.454 1.832 30 10 HDEE N#CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCCC1 1628338169 BBZTZALGHFGGES-OAHLLOKOSA-N 417.487 1.824 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)Nc1ccn(CCC#N)n1 1629645047 RXXWMJMTENJKGG-XWUBHJNHSA-N 409.368 1.721 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)CC1 1629698524 PIYHGDWZORUUAS-KRWDZBQOSA-N 410.515 1.708 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)cc1 1630104442 ZPZIKURLEUIPKK-GXTWGEPZSA-N 404.410 1.780 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1630165087 XMBIRBNFICFODI-PZPWOCDFSA-N 410.470 1.938 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1630505512 XLGGQHGBOVVQPD-LSDHHAIUSA-N 420.535 1.267 30 10 HDEE C=CCN(C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1630846845 FJQGRZVEUBMPGP-SJORKVTESA-N 423.535 1.719 30 10 HDEE C[C@@]12CN(C(=O)COc3cccc(Br)c3C#N)C[C@@]1(C)C(=O)NC2=O 1631838914 ZVKPWBINFXUMII-IRXDYDNUSA-N 406.236 1.211 30 10 HDEE C=C(C)[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(F)c1 1634436118 UOZQFSWUTKFARI-MRXNPFEDSA-N 401.373 1.982 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(O)nc(C3CCC3)n2)cc1 1634464683 GXVHKIJQSPOQNS-UHFFFAOYSA-N 400.460 1.291 30 10 HDEE C[C@H](CC(=O)NCCc1c(F)cc(O)cc1F)/N=C1/NS(=O)(=O)c2ccccc21 1635732077 FAYZREIFEDTKHI-LLVKDONJSA-N 423.441 1.846 30 10 HDEE C=CC(C)(C)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1636511272 MHBJTIYZVKBJDT-HNNXBMFYSA-N 402.538 1.097 30 10 HDEE Cc1cc(CNC(=O)OC(C)(C)C)oc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512367 CQTQHRRPINLDQQ-ORAYPTAESA-N 423.491 1.623 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)c1 1637272870 KEIQYNMQTMINTI-UHFFFAOYSA-N 419.547 1.051 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1639134018 KSPDARSHAXGOKW-IAGOWNOFSA-N 403.527 1.442 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1639687841 MEPGBMSZEYJRHO-CZUORRHYSA-N 414.549 1.605 30 10 HDEE C=CCN(C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 1642071928 LVQXTWPUXPLSIG-GJZGRUSLSA-N 414.524 1.214 30 10 HDEE COC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCCOC1 1644868699 QPQNGLATRNBSPD-DZKIICNBSA-N 409.508 1.062 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCN(c4ccc(F)cc4C#N)CC3)cc2C1=O 1648066913 HSBHRFQGLLXRGH-UHFFFAOYSA-N 421.432 1.684 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C)C2 1648076966 QZAAHJUBPPNILO-GFCCVEGCSA-N 407.492 1.987 30 10 HDEE C[C@@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1655770680 MHDKBYZAOBGAGD-AUSJPIAWSA-N 416.503 1.011 30 10 HDEE C#CCN(CC1CC1)[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1657834791 UTVKQLXLYUZNNY-SFHVURJKSA-N 403.548 1.562 30 10 HDEE COCC#CCN1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1658997817 JMGOLIIQIZISBI-QZTJIDSGSA-N 406.527 1.504 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1661513217 QFRXOVBANHTBIQ-OAHLLOKOSA-N 424.475 1.824 30 10 HDEE CC[C@H](CO)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1661894249 BIBUFSMDALVDQP-GFCCVEGCSA-N 420.304 1.537 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)nn1 1664570368 ATHKSFAXIKEOIO-UHFFFAOYSA-N 404.370 1.748 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC(=O)N(CCC)C2)cc1 1667955852 GUHQQWBHCVRUBT-OAHLLOKOSA-N 408.524 1.873 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 1671184651 KEUSBPZREJQPSV-ZVZYQTTQSA-N 419.478 1.707 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)c(=O)nc1O 1672190215 FIEOOHZDIXFVNM-SMDDNHRTSA-N 408.245 1.983 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)[C@H]2C1 1682947784 GMXZUPUNMZIRAV-PIIMJCKOSA-N 412.494 1.650 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689843212 QZQHTYRLBSBDDG-WMZOPIPTSA-N 406.490 1.770 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1689848974 DYIYDSBKJBFHFL-MJGOQNOKSA-N 422.533 1.880 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccccc1F 1689943743 BFZASHXPOJUDBW-UHFFFAOYSA-N 421.436 1.564 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1690077563 RHOYVVUSQDEIQJ-HZPDHXFCSA-N 416.503 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)cc1 1690092854 YYCANEUJMFCQMD-UHFFFAOYSA-N 424.505 1.607 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(CC)Cc1cccs1 1690675017 NOXIIZOLASBICC-UHFFFAOYSA-N 402.524 1.791 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690676696 ATUFFMHMUDQOEO-LAUBAEHRSA-N 421.542 1.484 30 10 HDEE CC[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1694057213 IFBXMYPITJUMHI-PBHICJAKSA-N 400.524 1.905 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696378289 MNQYFGWVQNYDQR-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCN(C)S(=O)(=O)CC 1705576959 AMAJUSXNDKJHCT-UHFFFAOYSA-N 403.508 1.591 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2CC2(O)CCOCC2)n1 1705632192 XRTCPBXXNGUYPK-UHFFFAOYSA-N 414.510 1.180 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1705633527 SFHTZYNXOLUUAK-UHFFFAOYSA-N 424.549 1.672 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1705901342 IXIBHQJKSGFFPM-QGZVFWFLSA-N 410.526 1.743 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705903859 WSESCKWSOTUEGI-MRXNPFEDSA-N 415.494 1.923 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)[C@H](C)C1 1705988469 WFWOXQUCNNYQSI-UIAACRFSSA-N 424.505 1.414 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)CCCO1 1708234124 HQSHRMFMKLIWPX-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCN/C(O)=C1\N=CC=CC1=O 1708382513 PLHNGKDSIUHCFA-UZXCTNKVSA-N 403.487 1.018 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCNS(C)(=O)=O 1722304512 YSBBALQDZQSPSA-HNNXBMFYSA-N 405.524 1.427 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCS(C)(=O)=O 1722335587 FWAMDOYIKXRLEA-UHFFFAOYSA-N 414.491 1.488 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1722351111 HARQKXLOMGIYEP-SFHVURJKSA-N 417.535 1.346 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722381397 PUMDYHWXVLJNIN-RTBURBONSA-N 415.563 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCc1ccn(C)n1 1722401043 JCVOVLNCLITIJR-UHFFFAOYSA-N 421.530 1.709 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@@H](C)C1 1722425440 YSWVFVBBGQHNLU-SFHVURJKSA-N 415.542 1.266 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(C)c1 1722429293 PKXDFGBCDDMNJD-INIZCTEOSA-N 408.549 1.684 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N(C)C2CC2)CC1 1722431534 MIVOSXMPCBTMDI-KRWDZBQOSA-N 422.537 1.163 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(C)CC1C2 1722477712 KJVVLGOJROJUFG-CDWSIMAYSA-N 404.334 1.786 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722553707 FRSCWFKOIAHTNG-JKSUJKDBSA-N 403.918 1.949 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)NC(C)C)C1 1722712195 MMOHHZZTQAXRIG-KRWDZBQOSA-N 420.539 1.449 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C)nn1C 1727229584 FXHHWSCURPAKRI-MRXNPFEDSA-N 400.487 1.016 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1731020493 BPNYPMOERMYVDO-PFUSGODGSA-N 406.899 1.633 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1740610103 SGOVTLHDOYAYKG-FUHWJXTLSA-N 417.535 1.484 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740616371 ZYYBSVSSMXOIHX-MRXNPFEDSA-N 409.556 1.479 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1740639673 WWJLXCJEVHJVFR-ZWKOTPCHSA-N 409.465 1.338 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1740641459 LOLDXDPNFJDDCR-UHFFFAOYSA-N 405.911 1.144 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1740794405 ZUTKBKGRHPUFFS-GOSISDBHSA-N 417.485 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740953676 NRIISGGOZGPMCL-RYUDHWBXSA-N 423.315 1.952 30 10 HDEE CC(=O)N1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741023920 ZHYLYISXHCMVSQ-ROUUACIJSA-N 402.499 1.159 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1741798626 CXXIJELGRKFCBV-MELADBBJSA-N 402.455 1.284 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(N(C)C)nc1 1742835055 BOMFOUYNJITKMP-HNNXBMFYSA-N 418.509 1.473 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1745898450 WLANJNFCUWKNKY-GOSISDBHSA-N 408.506 1.955 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1748054841 BXORRCVXWMZZSG-OAGGEKHMSA-N 401.515 1.078 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOC(C)(C)C1 1748698089 QKDPVVWXDACQTC-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1748929438 JHOPLQNKJYAPDK-OAHLLOKOSA-N 415.585 1.212 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOC[C@@H]2C)CC1 1748992898 JUBBNPFQRGIHBJ-NRFANRHFSA-N 422.577 1.653 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1749131684 UKMAEVJEEBIUBX-XSLAGTTESA-N 403.527 1.855 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749424150 BGQAGDPOOSATGF-GOSISDBHSA-N 424.553 1.834 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1749663464 GFCGCTXZUYCOPQ-JOCHJYFZSA-N 406.490 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749671112 ZFACIBHMQYQGDU-IAGOWNOFSA-N 419.526 1.249 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncccc2N(C)C)C1 1749708064 HKNJYZZISWTZCO-CVEARBPZSA-N 411.510 1.520 30 10 HDEE COCCN(CC(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1749806829 UDRNONNZUUDQEZ-OAHLLOKOSA-N 421.523 1.802 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1760112933 NXOFEMIZKBPJMH-CVEARBPZSA-N 418.542 1.939 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760359923 YLTOWZMWNHNULO-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760426520 VXKNHCATCUUJKA-UHFFFAOYSA-N 421.571 1.801 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1760687266 IBAJJPZDVLMSTO-INIZCTEOSA-N 415.542 1.949 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCOCCS(C)(=O)=O)C1 1761542067 BFTSVQXMAGPMLE-IBGZPJMESA-N 418.523 1.531 30 10 HDEE CC[C@@H](C)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763832846 UZHOALIJUFFZJX-VKEWIGKESA-N 418.498 1.168 30 10 HDEE CC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)OC 1764276188 HDPRUHGVORTUPP-KRWDZBQOSA-N 412.494 1.855 30 10 HDEE CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1C 1765510122 LKBGEYKSIGRNCQ-OAHLLOKOSA-N 420.477 1.969 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)COCCO1 1770201917 HHUNNHZBWRKIBU-SAKMYQHLSA-N 409.462 1.250 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)cc1 1770740411 GQGQJFROMUUBGC-FQEVSTJZSA-N 421.505 1.943 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1770754520 XGCWHLSRKQQSKV-QGZVFWFLSA-N 416.526 1.584 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)cc1 1771531942 JMMGRCPOBWNGSZ-IEBWSBKVSA-N 424.505 1.572 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771536126 JWAGAEBMPQUXPW-GVDBMIGSSA-N 414.422 1.122 30 10 HDEE N#CCC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)CC1 1771538702 RVMMTOBUNQMYMM-UHFFFAOYSA-N 400.508 1.925 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1)[C@@H]1CCN(C)C1=O 1849454713 MUBMDGNAKBPOSF-GOSISDBHSA-N 405.520 1.766 30 10 HDEE Cn1nc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1-c1cccnc1 1852833114 XOXWKMIQSRUYTD-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE CN1CCN([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)[C@H](C2CCOCC2)C1 1854215399 YIJVJDHFYJNXRK-RTWAWAEBSA-N 410.518 1.271 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855012340 ZSOMEESSPWMCKE-MSOLQXFVSA-N 411.568 1.464 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855060652 QDQZROXTBGLVSJ-DLBZAZTESA-N 416.547 1.628 30 10 HDEE C=CCN1CCN(C(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)C(=O)C1 1855273212 RTUUCCGRCNPDFG-UHFFFAOYSA-N 402.454 1.920 30 10 HDEE COc1ccc(OCC(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)c(OC)n1 1855597545 FPYYTOTVVOQCBR-INIZCTEOSA-N 416.478 1.621 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(Cl)ccn2)CCN1S(=O)(=O)c1ccccc1C#N 1855722684 DGGDETSZQPLFMH-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE COc1ccc(OC)c(CN2CCN([C@@H]3CCCCN(C(=O)CC#N)C3=O)CC2)c1 1855736457 IHZLFAUELZQBRB-LJQANCHMSA-N 414.506 1.643 30 10 HDEE CS(=O)(=O)[C@H]1CCN(C[C@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1856452778 UVKSPBOMUQTCIX-MOPGFXCFSA-N 417.531 1.375 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1856542122 JUWSBLJFCJSRRQ-QGZVFWFLSA-N 404.511 1.997 30 10 HDEE COCCN(Cc1cccn1C)C[C@@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1857082411 OMRMZAIEGVNOLF-KRWDZBQOSA-N 409.490 1.819 30 10 HDEE C=C(C)CN1c2ccccc2N(C(=O)CN(CCOC)S(C)(=O)=O)C(=O)C[C@@H]1C 1857475012 PWMBVYITCFWXBM-INIZCTEOSA-N 423.535 1.629 30 10 HDEE C=CCN(CC=C)C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)oc3c2)CC1 1858623129 ODZVTICXVISYMO-UHFFFAOYSA-N 406.464 1.634 30 10 HDEE N#Cc1ccc(NC(=O)CNC(=O)c2ccc(NC(=O)c3cnccn3)cc2)cc1 1859073689 VZERLKZXTNUERV-UHFFFAOYSA-N 400.398 1.969 30 10 HDEE O=C(O)c1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc1 1862756892 DIULIIDYYHDZEY-MRXNPFEDSA-N 412.354 1.864 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)NCCc1ccc(OC)cc1 1872626940 XWLUPLDIAYEBPF-UHFFFAOYSA-N 414.462 1.559 30 10 HDEE COC(=O)c1ccc(CN2CC(=O)C(c3nc(C)c(C(=O)OC)s3)=C2N)cc1 1872724860 VWGHAXLITYCGEC-UHFFFAOYSA-N 401.444 1.737 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874339391 UYIRBWWVCXETEZ-PFHXIJNMSA-N 405.480 1.380 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882497889 PJOOECVRQQYWOM-KRWDZBQOSA-N 420.418 1.992 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889338088 NRHVNENWVFWDPT-UHFFFAOYSA-N 409.534 1.515 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1F 1889550344 WSOZPMJXSQTMDB-UHFFFAOYSA-N 423.554 1.555 30 10 HDEE CN(C(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CN(c2nccnc2C#N)C1 1891864738 PGQCETKTCPHXRI-CQSZACIVSA-N 422.436 1.640 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1987168371 HOXKVEVFVLRWGM-HNNXBMFYSA-N 423.510 1.439 30 10 HDEE C=CCN(C[C@H](CS(=O)(=O)N1CCOCC1)NCCC)C(=O)OC(C)(C)C 2145732709 VZVQJNMCNIIJMK-MRXNPFEDSA-N 405.561 1.440 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782251 OOXGOEAWPQYRTR-SRGMZFCMSA-N 421.541 1.402 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788197 BSTAXAMAFPCGGH-ZBSNKRKSSA-N 414.509 1.749 30 10 HDEE C#CCN(C(=O)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180112051 CALVYZIXYIKLDZ-RYUDHWBXSA-N 412.430 1.481 30 10 HDEE C#CCN(C(=O)[C@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180132722 HEIGMYJQNHZIGI-PMPSAXMXSA-N 400.541 1.917 30 10 HDEE Cc1cc(CN(C)C(=O)NCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2203124504 LWOZMAJFQNUSIJ-UHFFFAOYSA-N 402.347 1.499 30 10 HDEE CO[C@H]1CC[C@H]1CS(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2239419739 BDRGNDBQNITTBE-AAEUAGOBSA-N 402.347 1.287 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC2(C1)OCCO2 2282022483 UGVNDMTZZYJVOC-AWEZNQCLSA-N 405.304 1.618 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@@H](C4OCCO4)C3)c(F)c2)OC1(C)C 2282051563 IQLKIFJOLOKLQE-CYBMUJFWSA-N 406.263 1.745 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCN[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282319150 PECOHEPZOKXVCS-OLZOCXBDSA-N 400.375 1.775 30 10 HDEE COCC(COC)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282326131 OHXLYOBSUKARCO-UHFFFAOYSA-N 405.347 1.295 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCCCS(C)(=O)=O)OC1(C)C 2282341766 XHENBZRQEQESSL-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1C 2282351841 GWJHHRARZTZXEC-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE Cc1c(C(=O)N2CCC(C3OCCO3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282592612 FQEVQASFLYHLEC-UHFFFAOYSA-N 405.304 1.253 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@H](CCO)C2)OC1(C)C 2282833115 FLGIROZVMULVSG-HAQNSBGRSA-N 402.347 1.023 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N(C)C 2282848828 SHTPKKSVQQHBDB-JSGCOSHPSA-N 400.375 1.618 30 10 HDEE CN(C[C@H]1CCN1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871407 GONASOWZSNVNNN-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC/C=C\C(=O)O)OC1(C)C 2284409205 GHVRUTPDUXRZKE-TWGQIWQCSA-N 401.677 1.558 30 10 HDEE N#Cc1cc(=NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)cc[nH]1 2338905541 DJHPOHAVYOYQQM-UHFFFAOYSA-N 412.471 1.973 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1 2346400873 SMFXXSWDGNWMJB-MBOZVWFJSA-N 422.503 1.574 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc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c1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1 10222825 UYTGIROAWIJJQE-UHFFFAOYSA-N 408.483 1.756 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 90732248 IBJHZCZPKVPWJO-UHFFFAOYSA-N 416.455 1.777 30 10 HDEE CCC(C)=NNc1nc2c(c(=O)nc(O)n2C)n1C[C@@H](O)COc1ccccc1 254313839 ZPBZJZRRWSDAPZ-CYBMUJFWSA-N 400.439 1.473 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)C1=O 410123243 YSPGDTYMVIRPCJ-VQTJNVASSA-N 406.486 1.668 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 410382990 PNVYIGOATZRYAI-UHFFFAOYSA-N 424.552 1.229 30 10 HDEE CCCc1c(NC(=O)Cn2cnc3c(cnn3C)c2=O)cnn1-c1cccc(C#N)c1 440074678 HOQGJIJPFKDPPE-UHFFFAOYSA-N 416.445 1.779 30 10 HDEE CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460208501 CNRMKSGGDXWXDB-UHFFFAOYSA-N 400.508 1.841 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCOc3ccc(F)cc3F)CC2)c1C#N 472053259 HLAXPKXGLZURLA-UHFFFAOYSA-N 404.421 1.789 30 10 HDEE CCOC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472850303 AWIHRTTTZDMAPO-UHFFFAOYSA-N 424.461 1.064 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@H](C)CC#N)C1 473306157 UMLUDYJRBSBZPK-ZIAGYGMSSA-N 403.508 1.939 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(F)c1 480706370 IGJOKOHXKYGWDG-TZIWHRDSSA-N 417.506 2.000 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 488633203 ZKEXNXNMFQMBJC-KRWDZBQOSA-N 410.405 1.562 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(CC(F)F)[C@@H](CC)C2)c1 497978331 GNWXFEHUPMEQPH-HNNXBMFYSA-N 401.479 1.952 30 10 HDEE CC1(C)NC(=O)N(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 500030519 AWIDIIPQRSJKQR-UHFFFAOYSA-N 406.446 1.085 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CC(C)C)nnc12 502594137 GXFWEHNJFJSJAY-AWEZNQCLSA-N 415.519 1.846 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 505799677 UPENCLMFIWWVOX-FQEVSTJZSA-N 401.467 1.091 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@]2(CCOC2)C1 508506528 FQPHBVXLMYSZIX-QFIPXVFZSA-N 422.489 1.857 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ncnc3sccc23)CC1 509000271 JFZDJIJAHNJSEU-HNNXBMFYSA-N 413.507 1.883 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC(C)(C)C#N)CC3)C2=O)n(C)n1 512902788 RSMRRVOBXSGWHL-MRXNPFEDSA-N 401.515 1.101 30 10 HDEE Cc1ccc(C(=O)NCCCc2nc(C(C)C)no2)cc1S(=O)(=O)NCC#N 519494132 KBMOCLFEPPUYOT-UHFFFAOYSA-N 405.480 1.666 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)nc1 521106263 GDIDDQNVBFUDED-UHFFFAOYSA-N 405.458 1.782 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1cccnc1 524343041 KHDKENLEKNYGGU-UHFFFAOYSA-N 416.506 1.815 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)o2)c1=O 524749249 CHKRSQWPDKYUCS-UHFFFAOYSA-N 411.483 1.673 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)CC1 530909943 PHMRNOVSDBCITL-UHFFFAOYSA-N 404.536 1.754 30 10 HDEE CCn1c(=O)c2ccccc2n2c(CN3CCN(c4cccc(C#N)n4)CC3)nnc12 545505700 WJVFKMIQWGGCIJ-UHFFFAOYSA-N 414.473 1.653 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3nc(-c4ccc(F)cc4)n[nH]3)CC2)n1 546217489 PLQRBBOTSJSRFU-UHFFFAOYSA-N 406.425 1.909 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 549291203 KPVAOARXZAMBOX-HDMKZQKVSA-N 413.544 1.239 30 10 HDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 549667268 OLSIUGYMZRRUBH-QGZVFWFLSA-N 403.508 1.612 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)c(F)c1 557125480 KTMFRMXRVPSIMV-UHFFFAOYSA-N 404.423 1.423 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CCC(F)(F)F)CC1 560000993 LDKOTHGDJOSINP-UHFFFAOYSA-N 411.427 1.147 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C#N)cn2C)c1 560809296 GNDOXYVEUGYWMR-UHFFFAOYSA-N 403.508 1.769 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 582457167 CJKNLIRGLTVQKN-SFHVURJKSA-N 401.444 1.142 30 10 HDEE CCOc1ccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227172 OZXGAUQSQUGQNW-UHFFFAOYSA-N 408.462 1.718 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(C(=O)CN(C)C)CC1 609635240 GBMYKPAKIKANTK-QGZVFWFLSA-N 401.511 1.036 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(OCCCO)CC3)C2=O)cc1 617057399 QONDVEDWZCBEEZ-IBGZPJMESA-N 400.479 1.232 30 10 HDEE COc1ncc(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)s1 718814845 QEXFDSKNPMADCT-UHFFFAOYSA-N 417.343 1.386 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 728580952 CUGDPWDVTJYMJJ-UHFFFAOYSA-N 412.487 1.528 30 10 HDEE COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1 730565464 WSHNUKGLNBHMHR-SFHVURJKSA-N 411.483 1.141 30 10 HDEE C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 732701191 LJQBNHQZQXPOPZ-PBHICJAKSA-N 405.524 1.380 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCN1C1CC1 732703708 JHBVNRMBLURIJN-CTNGQTDRSA-N 424.549 1.266 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)NCCOc3ccc(C#N)cc3)cc2S1(=O)=O 741972353 UUWBUSBVJBWQBY-UHFFFAOYSA-N 413.455 1.920 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(C3CC3)n2CCC(N)=O)c1 753938358 AWYGRQIQZJMCEV-UHFFFAOYSA-N 405.505 1.469 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 758297337 UUMIKJMYUBMUNN-MRXNPFEDSA-N 400.501 1.620 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)CC2)n1 760997357 QFRJISGLUPUJMZ-FQEVSTJZSA-N 418.501 1.976 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(Cc2ccn(C)n2)C1=O 765549380 XLEJOKMBJYTWAR-HNNXBMFYSA-N 405.455 1.836 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(Cc2ccn(C)n2)C1=O 765549381 XLEJOKMBJYTWAR-OAHLLOKOSA-N 405.455 1.836 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)C3(C#N)CCOCC3)CC2)nc(C(C)C)n1 767406077 QSZWFKUADLRXBV-UHFFFAOYSA-N 415.494 1.421 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC2(CCSCC2)C1 771298611 NJKCASCWWNMHPO-ZDUSSCGKSA-N 409.533 1.286 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)CC(C)(C)S(C)(=O)=O 776011009 RDZZNOPUAWKKEU-OAHLLOKOSA-N 412.581 1.212 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C2=NO[C@H](CNC(=O)OC(C)(C)C)C2)c1 788646600 IAQVHHQRELNELF-HNNXBMFYSA-N 400.435 1.392 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(/C=C/C(=O)OC)cc2)n1 788695328 IYVBROOGJQHESB-JXMROGBWSA-N 417.487 1.540 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC(=O)N(C3CCCCC3)C2)n1 789158641 NACGBFRWTDVHAI-SFHVURJKSA-N 401.511 1.608 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 792660581 GLVZXMZASZDNRR-SECBINFHSA-N 402.885 1.869 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(F)c(C#N)c1 795401554 OSTPZTQQKDGAJD-UHFFFAOYSA-N 404.442 1.849 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)[C@H](O)c1ccc(C#N)cc1 804880596 JOHUVUPNRNUJIK-DLBZAZTESA-N 417.462 1.603 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2cccnc2C#N)CC1 811736172 TVROCTAZQFIXHK-UHFFFAOYSA-N 420.516 1.176 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2CC)CC1 812028488 SAGGLANPJYSZSO-UHFFFAOYSA-N 424.505 1.690 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)cc1 856433873 HPMVTZIELSQJSM-UHFFFAOYSA-N 421.519 1.051 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1132192659 MOQWPGULPVZGSF-YPMHNXCESA-N 420.940 1.778 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1 1136925263 RKQRFIHFWLVYMI-UHFFFAOYSA-N 414.506 1.258 30 10 HDEE C#CCOc1ccc(CNC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)cc1 1141017769 VXPCQDAUDUAICS-UHFFFAOYSA-N 404.444 1.293 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(=O)OC 1141995299 MQTUQGDXCBDPFS-CYBMUJFWSA-N 408.457 1.549 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cncs3)CC2)cc1 1150295653 QFQJSFWHDNPLNT-UHFFFAOYSA-N 404.517 1.013 30 10 HDEE CNC(=O)[C@H]1CCC[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1151212394 ICZOBOMYGAGOGL-LSDHHAIUSA-N 405.296 1.788 30 10 HDEE C[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1CSCCSC1 1153865197 CPWGKVWERITZAS-MCIONIFRSA-N 400.570 1.947 30 10 HDEE C=CC1(CC(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CN(C(=O)OC(C)(C)C)C1 1156574575 IYBOAMCLIHTIHU-YCRPNKLZSA-N 408.495 1.838 30 10 HDEE C=CCNc1ncc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 1158669510 HEOOKKUKBKMTIO-VMBJYNEYSA-N 413.521 1.370 30 10 HDEE C=CCOCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1167758530 VRYSCAPXAQZEAF-CQSZACIVSA-N 402.538 1.606 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1167951655 AIUBWGZKLRAREF-IMFGXOCKSA-N 404.532 1.806 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H]3CCNC(=O)[C@H]32)C1 1175797427 QCRZNLALVYOVRT-SJCJKPOMSA-N 417.307 1.884 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(Cl)cc2)C1 1230746009 KUODMMKLFRTPFF-JKSUJKDBSA-N 414.911 1.839 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3ccnc(-n4cncn4)c3)C2)nc1 1234444895 IABBXQSYUGGCAS-KRWDZBQOSA-N 403.450 1.715 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1253866880 GWGISNGRBBWSKQ-OAHLLOKOSA-N 405.524 1.108 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1286277473 DCLIAKVZUJZSKV-HZPDHXFCSA-N 418.567 1.655 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1286384327 HURFWQQEEZTQFT-CVEARBPZSA-N 410.540 1.008 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N(C)C 1286465974 CQLDWLCCSAVEGJ-SFHVURJKSA-N 413.478 1.355 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2CCOC2)n1 1286471926 TVTROKPRXBNJLC-KRWDZBQOSA-N 422.493 1.254 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1286782687 CIWLGDVNFUPURW-MRXNPFEDSA-N 414.510 1.890 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1c[nH]nc1C 1292132354 AHJBRRVJBDJYHA-QGZVFWFLSA-N 414.514 1.590 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)nnc1-c1ccco1 1297519135 VYFIDDYBUUEUFV-CVEARBPZSA-N 417.535 1.874 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1298542946 HAPNPUCVLFDQHN-JORMNFRLSA-N 410.459 1.896 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299277606 LJUKZGSKOHNJIV-HLXOMJDXSA-N 402.535 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)CC1CC1 1300520023 FKFQDLYZUMAIMX-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1300557487 USUJFXLKLADBDA-MRXNPFEDSA-N 400.508 1.103 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1300643051 GHUQEYZEPAXRMZ-IIBYNOLFSA-N 400.479 1.865 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](OCC)c2ccccc2)CC1 1300698617 WGERUQMVZYWXNJ-VQTJNVASSA-N 422.533 1.762 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CSCCS2)CC1 1300703863 UWOJNODYWYGDJS-GOSISDBHSA-N 414.604 1.868 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CC2)CC1 1300716824 RVGXPGXATYOKLU-QFIPXVFZSA-N 415.538 1.695 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301196722 IHWOXMWXYOTFLF-GOEBONIOSA-N 407.544 1.031 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301585270 KCJYNUITLIGNCN-KRWDZBQOSA-N 421.567 1.499 30 10 HDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301620309 JPGPUTOIEUYGNJ-UHFFFAOYSA-N 411.466 1.086 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1302978038 GFECPNRCXQZPSH-IAQYHMDHSA-N 404.368 1.640 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(Cc3nncn3C)CC2)ccc1F 1303869460 DQNWVMFHMSBPHI-UHFFFAOYSA-N 421.498 1.513 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)n1 1304750436 PWKJQXGKDBTIMM-HNNXBMFYSA-N 408.466 1.320 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 1309564844 CBPBLNZKPVGWDO-DGCLKSJQSA-N 422.320 1.808 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 1311502892 FMSILVBQWXMKMV-UHFFFAOYSA-N 401.511 1.320 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1316099888 OMLUGCXEGKNKMQ-OAHLLOKOSA-N 404.437 1.606 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2(O)CCC2)cc1 1316532970 CMNUVQYPBZNTDA-INIZCTEOSA-N 410.478 1.345 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)ccc1F 1319573109 RCGXYGJXIUYTRF-UHFFFAOYSA-N 424.453 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1358992756 WAVYOHVDMWIVDN-MOPGFXCFSA-N 412.538 1.193 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC=C 1359016940 PPKPIRHHKUYIHL-QGZVFWFLSA-N 410.453 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359330470 SPRGQNJOMFVVMD-CRAIPNDOSA-N 417.535 1.945 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCC(CO)CC1 1359334343 BSDFOUYQKSBJDJ-UHFFFAOYSA-N 418.563 1.873 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Oc2cccc(OCC#N)c2)c1 1436691548 KWTNLUPDNDHNOK-UHFFFAOYSA-N 419.459 1.387 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCc1nnnn1-c1ccccc1 1437616536 CYYFKGJVXXAJLE-UHFFFAOYSA-N 413.235 1.992 30 10 HDEE CCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2c(C(C)C)noc2n1 1439798164 SEVVFQIZEDLDGP-HXPMCKFVSA-N 402.476 1.919 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CCC(=O)N2CCC(O)CC2)cc(OC)c1OC 1442575709 BEIVMVZPKHQTRE-OAHLLOKOSA-N 405.451 1.157 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1452947405 LCDFVGPQCFHCQS-LJQANCHMSA-N 412.471 1.556 30 10 HDEE COC(=O)CC[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1455397028 ALQGDXNBYMJIPA-AWEZNQCLSA-N 407.492 1.307 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C2(C#N)CC3(CC3)C2)C1 1455596313 KHVAREAFHHIMSV-CQSZACIVSA-N 411.524 1.611 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(N(C)S(=O)(=O)CC)CC2)c1 1459683393 DBCUIMNNXJSCLI-UHFFFAOYSA-N 406.508 1.062 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cncc(OC)c3)CC2)c1 1464463175 DMCXTQKKOCNATF-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1464650276 CPUJPVFHSHPSPV-CQSZACIVSA-N 407.312 1.567 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Cl)c2F)CC1 1467990587 DJZGULJTHOKQED-UHFFFAOYSA-N 403.819 1.045 30 10 HDEE CC#CC[C@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1469720597 OHJCGYIEXMKXMP-CZUORRHYSA-N 408.296 1.936 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)C2=O)cc1 1470032518 IVWJQEFPABQSKW-AABGKKOBSA-N 412.490 1.496 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472192169 SOFQUKOJUCRAPD-YZVOILCLSA-N 411.524 1.633 30 10 HDEE Cc1cc(NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)ncc1C#N 1476943398 BSQSYCJWGPLZEG-UHFFFAOYSA-N 410.459 1.560 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(F)(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503666238 YNKGJLWGXAHQRI-BMRADRMJSA-N 417.420 1.655 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507539700 XNLZFBKAPLBYAI-KLHDSHLOSA-N 413.519 1.207 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507554619 VWVYQZPNWNVAKS-OAQYLSRUSA-N 402.543 1.521 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1507632323 ZCSWPPUTZIBHDY-SFHVURJKSA-N 417.535 1.784 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507632682 PBKLULXOAUMBKM-HZPDHXFCSA-N 419.507 1.144 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507750284 PHBBOLUWHMHCHZ-OAHLLOKOSA-N 403.533 1.266 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1507796058 GQTQDODPGRQGNH-UZLBHIALSA-N 405.543 1.929 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1507971672 BLXXKARVFVOMHO-IBGZPJMESA-N 406.508 1.776 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1512098268 IWMJIEKIQWUZBF-PDQKVPEZSA-N 401.507 1.038 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@H]1C 1512407687 NFGNDMYRYBMIDB-HZPDHXFCSA-N 417.535 1.970 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1513970253 DRNRTKWWVIBUGN-QFBILLFUSA-N 423.521 1.252 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C[C@@H](C)O1 1525599384 MABUUYKDDKRIJU-CLCXKQKWSA-N 408.524 1.058 30 10 HDEE C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)[C@@H](C)COC 1528488642 DZEFOVJGHWFCOC-GOEBONIOSA-N 422.503 1.673 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@H](C)COC 1531888094 YQYOXFYUUWQAHZ-CQSZACIVSA-N 400.472 1.510 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1 1535782031 VEPVJUYXPUHUNO-GFCCVEGCSA-N 408.252 1.717 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](c3ncccn3)C3CC3)C2=O)cc1 1538358163 SWUIRBGLYRHHBQ-SJLPKXTDSA-N 404.430 1.821 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)C1 1538589343 ONYLEWHPBPIVAR-CQSZACIVSA-N 403.391 1.657 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539126236 ULGYGNVQSYZGRM-JKSUJKDBSA-N 419.551 1.089 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539224543 HZEZQDNCUSIUHE-ZWKOTPCHSA-N 422.551 1.053 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1539350757 YDVXATPILBMRMB-AWEZNQCLSA-N 403.464 1.748 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H](OC)C(F)(F)F)CC1 1539454071 VUIZBNVQIZTROV-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1539516732 BEBGMNDGFIOMDZ-TVXGVJEUSA-N 424.592 1.144 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539517415 NFGAVJZNWQFMMX-RTBURBONSA-N 419.595 1.840 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1539722390 NCZSCUHRHVKPHI-OAHLLOKOSA-N 402.503 1.479 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1540890762 JONZLSJHNRYCJK-IRXDYDNUSA-N 416.526 1.317 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1541111516 MTLUOOGKZWZYSM-STGLLQLASA-N 406.450 1.462 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1544116210 IBKUHQPTIYZJKJ-UDJKBAMHSA-N 422.493 1.888 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1545145059 BGNUMRFRDQHUED-QVKFZJNVSA-N 407.478 1.727 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1555527247 MCWUQLDXQCTXHM-CQSZACIVSA-N 403.487 1.322 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CSc2ccccc2O1)c1cc[nH]n1 1557191064 ALLWZOKCHOPMAU-LBPRGKRZSA-N 404.448 1.363 30 10 HDEE C#Cc1ccc(C(=O)N2CCC[C@@H](n3nncc3I)C2)nc1 1558109283 YPTWADNELRRUBI-GFCCVEGCSA-N 407.215 1.736 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(O)(c2ncnn2C)CC1 1560114994 JXDKITIARAMDRL-OAHLLOKOSA-N 400.458 1.573 30 10 HDEE Cn1ncc(I)c1CNC(=O)NCc1ccc(C#N)s1 1564954427 QSHHOCWVNHOUJW-UHFFFAOYSA-N 401.233 1.957 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1 1565113411 KQIOSPNYADCTCP-SFHVURJKSA-N 411.487 1.455 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565629598 DABBRGQBDBCTDO-WUKNDPDISA-N 403.236 1.506 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CCOC1 1585022203 MCNRENMGJKFSTC-OAQYLSRUSA-N 401.463 1.192 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 1587519931 BKNXQOLCZMUMFA-UHFFFAOYSA-N 418.432 1.944 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1587798169 FBWHDSQNCKXUPF-ROUUACIJSA-N 400.527 1.084 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1588046068 WSEZBUGDRMLFKP-INIZCTEOSA-N 417.535 1.782 30 10 HDEE C#CC[C@H]1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1588167070 PFEZUWHIOVXFSF-HNNXBMFYSA-N 423.491 1.876 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2nccs2)CC1 1588733101 NGEGUDVLPJENPJ-HNNXBMFYSA-N 401.540 1.432 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)CC1 1594797845 JCCUDUUQGNNLCK-UHFFFAOYSA-N 413.478 1.635 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC(=O)N2)C1 1595754287 MSTZOBJCCGWFEI-DFGXFYAUSA-N 405.499 1.062 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1595766782 XHULBWBDKZKZBU-UHFFFAOYSA-N 417.535 1.458 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)cc1 1596929973 LHRXQSBXQYDZJI-UHFFFAOYSA-N 411.549 1.178 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2=O)C1 1603255886 ZSFRRIROSVACOM-FQSKDFRHSA-N 402.495 1.653 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)Cn3c(=O)nc(O)c4ccccc43)CC2)c1 1611526847 DMQFEOKSNFPMLA-UHFFFAOYSA-N 417.469 1.755 30 10 HDEE CCOC(=O)NC(=O)C(=NNc1ccc(Cl)cc1F)C(=O)NC(=O)OCC 1615217361 XGMMLGVKHIAEEU-UHFFFAOYSA-N 402.766 1.792 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C[C@H]1C 1615858954 HOZUTTCKJTYSQJ-MRXNPFEDSA-N 416.551 1.782 30 10 HDEE CCCc1nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1ccccc1F 1616347883 SPWXXSLTRKQPRM-ZPHPHTNESA-N 412.425 1.615 30 10 HDEE Cn1ccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1618440087 VQEQVJGBEUZVLB-GFCCVEGCSA-N 400.826 1.053 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCC2(C1)OCCO2 1618762008 KMFCUFBDHQXCFZ-QGZVFWFLSA-N 424.505 1.932 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1620358866 HTEBABUIIOMXES-HOTGVXAUSA-N 420.539 1.327 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C)c3ccc(Br)cc32)C1=O 1623343656 GCSYQNRWBDAQGL-UHFFFAOYSA-N 421.251 1.209 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ncccc2S(C)(=O)=O)CC1 1623397263 OTLMAGMBCXIXDN-UHFFFAOYSA-N 421.519 1.752 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C(=O)OC(C)(C)C 1624523010 KIRFPNFXYHSUPW-IBGZPJMESA-N 401.507 1.874 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNC(=O)c3ccco3)C2)C1 1625112994 ZPHQAXOOHOIUQF-FAGJFJLWSA-N 416.478 1.912 30 10 HDEE C[C@@H]1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1CNC(=O)OC(C)(C)C 1625826942 QILMSECBYKYZAN-NOJWBWKLSA-N 420.510 1.912 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@H](C(=O)C4CC4)C3)C2)C1 1626709598 QSKQFZZIPRLINF-JBLFJGJOSA-N 417.506 1.980 30 10 HDEE CN(C)C(=O)/C=C\C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1627453907 CPUPJUJHJBWTLZ-PTZVLDCSSA-N 405.296 1.802 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCCN3CCC[C@H]3CO)CC2=O)cc1Cl 1631273182 GEKAYUARSIAHIU-AEFFLSMTSA-N 418.925 1.918 30 10 HDEE C[C@H]1CCS(=O)(=O)CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1632888388 UPWMBADIOWACNT-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](N4CCCC4=O)C3)C2)C1 1634019221 FFOGSZNWXNULRX-QNOZYLDQSA-N 416.522 1.997 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1634071595 OGOHMGBZBCLCGU-CJNGLKHVSA-N 406.280 1.906 30 10 HDEE CCOCCOC[C@H](O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1634539828 HBVVAYGSOQYAFU-GOEBONIOSA-N 409.870 1.095 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)N2 1636071602 MNIPUEVSRALJKF-KRWDZBQOSA-N 423.425 1.802 30 10 HDEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)c(C)c12 1638895202 CJYRYKJKPNZSJM-SFHVURJKSA-N 407.474 1.875 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)cc1 1638919354 CZDADDOIYYZANX-AWEZNQCLSA-N 403.464 1.316 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(CC(F)(F)CO)CC2)cc1Br 1640339570 WZSJULPWAKWKIZ-UHFFFAOYSA-N 418.238 1.471 30 10 HDEE CC(C)(C)OC(=O)NCC1(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1642499033 AAHDRPHLWSVIDL-UHFFFAOYSA-N 404.471 1.751 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(CC(N)=O)cccc3C2)cc1 1642616003 XTIIZYMXLYOAFQ-UHFFFAOYSA-N 413.499 1.377 30 10 HDEE C[C@@]1(c2ccccc2F)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1643679525 VXBJOMRPQPWANG-QFIPXVFZSA-N 405.385 1.892 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 1644638659 WWISLPVBDARCES-OCCSQVGLSA-N 418.291 1.647 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c2ccccc12 1653703386 HSYYXSJSNPKWFZ-CQSZACIVSA-N 421.496 1.437 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)OC 1662441275 QMGJIBBJUFEDGR-GXTWGEPZSA-N 401.868 1.599 30 10 HDEE C=CCCSCCNC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1668976082 OYOILXQMZKMARJ-UHFFFAOYSA-N 413.569 1.594 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)cc2C)CC1 1672648229 HZVQPHOZDUWKMZ-UHFFFAOYSA-N 405.524 1.212 30 10 HDEE C#Cc1ccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1682508747 DEWURETZNSYLJQ-OHTSDLOESA-N 404.488 1.366 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(O)nc1=O 1684855115 BOMBBZQBHSPEFI-UHFFFAOYSA-N 414.441 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@@](=O)CC 1689948729 DLFNFJPUUHGNGO-NDEPHWFRSA-N 422.580 1.385 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1689987978 GSZHPHKPGIASEB-OAHLLOKOSA-N 403.508 1.689 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@](C)=O)CC1 1690005034 PELBGJOZAAMOCG-LJAQVGFWSA-N 412.515 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2ccsc2)CC1 1690668839 LIDDGWGKTGGHMM-UHFFFAOYSA-N 424.534 1.421 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690721144 YURQTLAYOUNPGP-GJZGRUSLSA-N 419.463 1.055 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694913113 QGQCPNSMNYPRLR-NZKCYVOASA-N 400.483 1.892 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1696022574 DDGPQRXLIJKPRW-YWZLYKJASA-N 416.482 1.435 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1705495246 MYCAQIMDQZPLPH-QAPCUYQASA-N 411.462 1.107 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705567775 ZKVHEZROMGHLES-RBUKOAKNSA-N 414.531 1.765 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C)no2)CC1 1705640884 JNTSYKPTRQVEHN-UHFFFAOYSA-N 406.490 1.977 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1705835618 PIMKWGWHZGAMKS-DHQBXBPASA-N 416.482 1.079 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1705900030 NOTOOLSRJWGGLM-QFIPXVFZSA-N 424.480 1.823 30 10 HDEE COCCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C#N)CC1 1712613748 WXAAKKWANIWAHD-UHFFFAOYSA-N 401.515 1.933 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1722403273 XWDSFMZJINTHHQ-AWEZNQCLSA-N 408.528 1.645 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1722857247 BIUYEEVVTRFQRV-UHFFFAOYSA-N 420.477 1.681 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)c1ccccc1 1729076802 CEYBCQWHFCCKSJ-MRXNPFEDSA-N 419.507 1.407 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1740609803 SVOARUJINQOGLV-UHFFFAOYSA-N 402.462 1.238 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740610330 XEROPVPOXQEPPA-HUUCEWRRSA-N 401.433 1.505 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740616488 BRRYCSQYJFROKP-RDJZCZTQSA-N 418.519 1.689 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(F)c2)CC1 1740695255 KSGNWMFOYWDIRP-UHFFFAOYSA-N 409.469 1.630 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740716450 RNADAFJKBPSISF-UHFFFAOYSA-N 411.597 1.772 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Br 1740725575 SAJPYZUPSCEENI-IUODEOHRSA-N 416.345 1.789 30 10 HDEE C=CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740882020 XNTRSTHNZGZYSW-CBGDNZLLSA-N 422.526 1.645 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740965025 CMCODEXPXABHSK-NRUGXNMXSA-N 419.526 1.023 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1742905950 FAPDFRUFXGZTGW-OAHLLOKOSA-N 421.505 1.529 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1743385184 HBTLOYQRSHAYBW-PJSUUKDQSA-N 419.432 1.416 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCCC1 1747134082 OTQNLPRVESDFAU-UHFFFAOYSA-N 411.510 1.835 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C1 1748319474 NCMMGYZATDUUKV-IAGOWNOFSA-N 422.489 1.731 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1748710597 VHOAPSKQMCQLSR-GOSISDBHSA-N 418.505 1.626 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC2CCOCC2)c1 1748798594 KYXXCAQBWFGRHD-UHFFFAOYSA-N 424.505 1.471 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1748937889 UDVXSEXHFRMQSC-UHFFFAOYSA-N 408.506 1.911 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccccn2)CC1 1748972277 DZXSIVWANSRSPO-UHFFFAOYSA-N 416.489 1.318 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(OC)CCOC2)CC1 1748984937 XDMVBUGBUVCOSJ-QFIPXVFZSA-N 411.506 1.514 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749031924 NRECZHDWGICTNU-OAHLLOKOSA-N 409.581 1.909 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H](OCCOC)C2)nnc1[C@]1(OCC)CCOC1 1749282031 RYZWRQOCQPBNDT-YJBOKZPZSA-N 400.907 1.924 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1749342277 XVSGLTSOMRHJFS-HZPDHXFCSA-N 422.555 1.056 30 10 HDEE C=CCCOCCn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1749461040 NBQSCIHEKQUGCX-IBGZPJMESA-N 412.556 1.480 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749650784 HJQSQDDWSLDISH-UHFFFAOYSA-N 413.482 1.939 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@@H]2C)C1 1749713203 PYEZDVZXZASDCL-RCCFBDPRSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC[C@@H]1C 1749726857 HBHHFIGHGPQZNN-ZDUSSCGKSA-N 411.915 1.819 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)CC(F)(F)F 1750008609 PKXIWOJCJWRDRO-KBPBESRZSA-N 420.436 1.225 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CCOC 1760114614 PTRIAOJPCNFECH-SZNDQCEHSA-N 410.478 1.839 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1760129006 BLOCVCRGYXITFO-UHFFFAOYSA-N 410.482 1.190 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760170346 YSJWDLVCIWZHKA-ZWKOTPCHSA-N 414.535 1.614 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1760262041 GVAYQMRWLMEQKP-UHFFFAOYSA-N 400.914 1.366 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760352086 ODPVXXLNVFIPSO-AZUAARDMSA-N 418.586 1.983 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760438313 DXOIHMBZLCYFHX-IAGOWNOFSA-N 400.527 1.938 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1760510003 AENQWFZMCGYOSH-YOEHRIQHSA-N 413.569 1.130 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1760513592 MMEOCKVDPPUUJU-OALUTQOASA-N 415.586 1.581 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)c2ccccc2OCC)CC1 1760515967 UCXLIUNFTOXOJD-UHFFFAOYSA-N 412.494 1.250 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCS(=O)(=O)CC2)C1 1760545687 ZPXJIRKUBOBWNP-KRWDZBQOSA-N 420.539 1.285 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](CO)O1 1761020708 PFHFRIVCNJXPGA-DLBZAZTESA-N 412.494 1.551 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)cc1F 1761237728 ACAZXICTEIVEGW-AWEZNQCLSA-N 406.849 1.986 30 10 HDEE Cc1n[nH]cc1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1761607290 FGUZFCIFLNDQBC-JSGCOSHPSA-N 408.532 1.149 30 10 HDEE Cc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)c(=O)n1C 1761790889 JOWOAJNZVOYHMJ-CYBMUJFWSA-N 423.477 1.657 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1764186950 ACVUNQXZYMVSKV-HOLBHBGLSA-N 422.555 1.226 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1767491861 SAMHUBTVAFZVKJ-AWEZNQCLSA-N 410.482 1.402 30 10 HDEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1768147845 IKNAQYSGYVRQQI-GOSISDBHSA-N 421.502 1.717 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1771352571 SWTZXKOGKYKFEZ-KRWDZBQOSA-N 418.523 1.208 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(O)[C@H](O)C[C@@]21C 1848439838 QARLZCYMQMQPNT-CRTOORPBSA-N 420.502 1.467 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1=O 1848693452 YNPUOIGKPUMLQF-OAHLLOKOSA-N 406.504 1.494 30 10 HDEE N#CC1(c2ccccc2)CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1848916336 RPUCCXRXVCGWTL-UHFFFAOYSA-N 409.467 1.915 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c1F 1851340550 SKUBQNQXVGWSCX-UHFFFAOYSA-N 424.407 1.890 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O 1851446666 RJTNDLHAOUWCMX-UHFFFAOYSA-N 418.841 1.570 30 10 HDEE COC(=O)[C@@H]1CCC[C@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)C1 1852615111 UWEKSIZNCQFQQE-MSOLQXFVSA-N 400.479 1.598 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)CC1 1852708439 MRDQXZMHOZRSGH-FQEVSTJZSA-N 424.611 1.408 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nnc([C@H]3CCOC3)o2)cc1 1853322081 FXVHRIHPLASPTL-PKOBYXMFSA-N 414.462 1.742 30 10 HDEE N#Cc1c[nH]cnc1=NC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853354499 IORVKHYIMGLMSD-AWEZNQCLSA-N 402.462 1.547 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1853677127 FBYZGXZMMUNCPX-ROUUACIJSA-N 419.547 1.723 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1=O 1853828367 LHFWSYXHUZRTGF-MSOLQXFVSA-N 415.490 1.554 30 10 HDEE COc1ccccc1Cc1noc(C2CN([C@@H]3CCCN(C(=O)CC#N)C3=O)C2)n1 1853961635 XYGOMTACGIVDNS-MRXNPFEDSA-N 409.446 1.499 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@@H]3Cc4ccccc43)C2=O)C1 1854270843 BZEKQMDZMDEDFD-QUCCMNQESA-N 402.454 1.874 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)C1 1854940599 FTCFOJJXDGMCND-MOPGFXCFSA-N 413.522 1.066 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)C1 1854957524 XYDDUHKDZUFDHS-YJBOKZPZSA-N 404.461 1.945 30 10 HDEE Cc1cnc(C(F)(F)F)c(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c1 1855006837 BSGSAGPLTJWVRI-AWEZNQCLSA-N 409.412 1.681 30 10 HDEE Cc1cnn(CCN2CCC([C@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)c1 1855074655 YMOQESKAFUFXQD-IBGZPJMESA-N 406.490 1.859 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)C4CC5(COC5)C4)C3=O)CC2)cc1 1855446692 ZOODRUHMHGSYIU-FQEVSTJZSA-N 409.486 1.956 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3C[C@H](CN(C)CCC#N)CC3=O)ccc2=O)cc1 1855712458 FNUHZAREVLVKIF-SFHVURJKSA-N 407.474 1.434 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCC#N)[C@H](C)C2=O)c1 1856196859 DBHCMEBWQXIHRK-AEFFLSMTSA-N 418.519 1.121 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nn(C)c3c2CCC3)C1)[C@H]1CCN(C)C1=O 1857050569 MBQPWXBRZSSCTB-YJBOKZPZSA-N 413.522 1.006 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2=O)C1 1857104760 WQIMFSGCBDVZNM-AWEZNQCLSA-N 402.361 1.049 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2snnc2CCC)C1)[C@H]1CCN(C)C1=O 1857276487 BVNZJAOHUQETAO-ZFWWWQNUSA-N 405.524 1.198 30 10 HDEE CC(C)n1nc(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)ccc1=O 1857281221 ISTGBXSGAYCXPW-IRXDYDNUSA-N 411.506 1.829 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c(O)c1 1862590916 BMOFNSCFUMJPIX-GOSISDBHSA-N 412.398 1.518 30 10 HDEE COc1cc([C@H]2C(C(=O)c3cccc(O)c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862600696 POTXVZSTYMWHJR-KRWDZBQOSA-N 415.398 1.686 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(O)cc1O 1874469473 HTGONNWUALXSFZ-YBFXNURJSA-N 407.496 1.721 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1ccccc1C(=O)O 1874499316 NVRAKWFTWZLAIB-VXLYETTFSA-N 405.480 1.965 30 10 HDEE C=C(I)C[S@@](=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1881443098 VMENFVCWAYSNRE-LILOVNGRSA-N 403.238 1.662 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)cc2n1 1889387089 NKVNKGZKJZLBKJ-UHFFFAOYSA-N 424.549 1.218 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@H](OCCNC(=O)OC(C)(C)C)C1 1982298690 ZGAGTPWKWVJNBT-LBPRGKRZSA-N 413.334 1.840 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)C1 2118161407 BPHIMGPMADAQHZ-MSOLQXFVSA-N 422.507 1.094 30 10 HDEE CON(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@H](C#N)C1 2174783070 XWAMRGQITLKDQG-CQSZACIVSA-N 402.517 1.730 30 10 HDEE CC(C)(C)OC(=O)N(CC(F)F)[C@@H]1CCCN(S(=O)(=O)N2CC(C#N)C2)C1 2174783892 HZPUUOHUSQVGSU-CYBMUJFWSA-N 408.471 1.653 30 10 HDEE COC[C@@]1(CNS(=O)(=O)N2CC[C@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 2174784231 LWMIRNLFAZIEMV-PBHICJAKSA-N 402.517 1.082 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CC[C@@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174785540 AGPLAIWTUGQUCS-GDBMZVCRSA-N 400.545 1.539 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174786337 IXDHWQNIPGPCCL-IYJVBRSBSA-N 422.573 1.677 30 10 HDEE CC1(C)OB(c2cscc2CN2CCC(NS(C)(=O)=O)CC2)OC1(C)C 2235515398 DLSWERODJPIEOI-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(N)=O 2243064322 QAEDAWDDLFNYAR-CYBMUJFWSA-N 407.276 1.138 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243385556 KQXCZVUYPKKTJG-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCOC1 2243676107 FRPZJCVIAPYPAT-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(C#N)cc1Br 2247168878 ZGFKIVDKBDIXEA-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE Cn1ncc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247782684 WTRLOBCMVZUJEI-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE Cn1cc(C(=O)NCC=CCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247818004 SLQAWGNTZWLZBU-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE CN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2247840231 JQKQRCCIDUTQDG-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2248035519 NUZMHFYPUDKJCI-HNNXBMFYSA-N 422.287 1.925 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)[nH]n2)OC1(C)C 2248567619 WDKDVDVRUDUHTN-HNNXBMFYSA-N 415.255 1.109 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267412526 OBLIUWCUTIYMGE-ZYHUDNBSSA-N 407.388 1.438 30 10 HDEE CN(c1cccc(C#N)c1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270508536 KOSXHHSMSCZRLD-QGZVFWFLSA-N 417.443 1.704 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](C3OCCO3)C2)n1 2282040005 CUAVYBYFPUXAMY-HNNXBMFYSA-N 402.300 1.914 30 10 HDEE Cc1cc(S(=O)(=O)NCC2CC(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282317965 XMEFMFRJBSYPHB-UHFFFAOYSA-N 401.359 1.653 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](C(F)F)CC3=O)c2)OC1(C)C 2282337450 LJJBSRHIWKLDRO-VIFPVBQESA-N 407.269 1.850 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCNC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282489709 FQBWEKSPHCINAH-NSHDSACASA-N 400.375 1.647 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](N)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282491965 MZXZYOMDWTYZTI-GWCFXTLKSA-N 400.375 1.774 30 10 HDEE CN(C[C@@H]1COCCO1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282492422 QYDCQEUYPQMASQ-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE CC1(C)C[C@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497475 QEENICTYPOFZPV-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@@]3(C)CO)c2Cl)OC1(C)C 2282642465 NVBASLTVEIJPAB-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE Cc1cc(S(=O)(=O)NC2(C(F)F)COC2)sc1B1OC(C)(C)C(C)(C)O1 2282829102 ZQLFTTAFPUSPGF-UHFFFAOYSA-N 409.285 1.668 30 10 HDEE CC[C@](C)(CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC 2282835397 UKSQYVDAIWSZBF-MRXNPFEDSA-N 404.363 1.677 30 10 HDEE CC(C)(C)OCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838902 WETLMMHSPWEOLO-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE CN([C@@H]1COCC1(F)F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848601 PIOHKFRJWFLMQP-LLVKDONJSA-N 409.285 1.702 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCNCC3(F)F)c2)OC1(C)C 2282856422 RWEWTZJZJMQMSX-NSHDSACASA-N 408.301 1.323 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H](C)C2CSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282867423 YOUJOHVAKKRLOK-SNVBAGLBSA-N 401.363 1.058 30 10 HDEE CC1(C)OB(c2cc(Cl)c(C(=O)N=[S@@](C)(=O)CCN)cc2F)OC1(C)C 2282978037 IFVCHYTZNLEJGF-SANMLTNESA-N 404.700 1.975 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@H](C(=O)O)C2)OC1(C)C 2284397040 HPXKNVOWMPGWTR-QWRGUYRKSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284401332 HOCOIDGHODXFSN-PSASIEDQSA-N 421.733 1.842 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@](C)(=O)CCC(=O)O)OC1(C)C 2284401606 JCPHRDCKHVPQAP-VWLOTQADSA-N 423.343 1.309 30 10 HDEE C[C@@H]1C[C@@]1(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416586 ZVKZPQCBXKJNAO-HWPZZCPQSA-N 401.315 1.330 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(F)(F)C[C@H]2C#N)C1 2286069988 NFLFMOJATFYMLK-RYUDHWBXSA-N 407.439 1.170 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2317411346 UKIYVSQYWQRREZ-UWVAXJGDSA-N 408.520 1.221 30 10 HDEE CCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)cc(OC)c1O 2320988237 ULTRQBCHNYFLAL-UHFFFAOYSA-N 414.285 1.777 30 10 HDEE COc1cc(Br)cc(C=Nn2c(S)nnc2CNC(C)=O)c1O 2321937671 VYXOPHHAROOTHC-UHFFFAOYSA-N 400.258 1.562 30 10 HDEE CCN[C@H](C#CC(C)(C)OC)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363516267 DZYDDWQOBHKVKD-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#Cc1nc(CC)cs1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363884947 AEWQARXTXVILML-CABCVRRESA-N 415.581 1.973 30 10 HDEE COCCCN=C(NN)N(C)Cc1c(Br)c(Br)nn1C 2364430680 ZOKLUYZZCOGQPD-UHFFFAOYSA-N 412.130 1.233 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2365200406 YEJMWYDQAQJMNX-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)CCOC1 2365211768 NIUWMROFBLXOOZ-BEFAXECRSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367795985 GXIFXGOYZWAGFB-KXBFYZLASA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCOCC1 2367800239 HXRXJMYQQLQPJL-HNNXBMFYSA-N 400.541 1.606 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](COCC)NC(=O)OC(C)(C)C 2367806484 KWRNCKSFMJEPCO-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367810199 UZSZVSUQPFZDLN-HNAYVOBHSA-N 400.541 1.307 30 10 HDEE CON(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)C1CCS(=O)(=O)CC1 2368843706 FUSIQLFGWYOADI-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369492657 QVEJGRZLDFLREW-LLVKDONJSA-N 401.359 1.909 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2373565909 DDPVUAODCYXHDX-CQSZACIVSA-N 402.513 1.516 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N4CCCCC4)CC3)cc2C1=O 25383498 ADCKTLKGSAZMPD-UHFFFAOYSA-N 424.501 1.239 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F 254870721 FRHIXSCNKRWPKW-OLZOCXBDSA-N 400.453 1.682 30 10 HDEE COCCS(=O)(=O)c1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1 428374522 NHPHNTKWGJTRJQ-UHFFFAOYSA-N 400.522 1.610 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@]4(CCO[C@@H](C)C4)C3)CC2)o1 430256620 JJJOFXONSJVVPC-QYWGDWMGSA-N 417.510 1.162 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC=C 447778895 RPOPMJJEVLXURW-UHFFFAOYSA-N 417.494 1.087 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461298332 DTNAZRRKGUFYMG-UHFFFAOYSA-N 400.420 1.543 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465484398 SSIJWZOYQSUUST-DZKIICNBSA-N 402.524 1.333 30 10 HDEE Cc1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)sc1C 466961799 PEWBCFWMXKCQTR-UHFFFAOYSA-N 419.532 1.848 30 10 HDEE Cn1cc([C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(F)(F)F)cn1 487764380 UTCSMZWTNKRJNT-AWEZNQCLSA-N 415.397 1.645 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccn2)CC1 490271057 MPLGMGAKDCMDMP-HXUWFJFHSA-N 418.501 1.236 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 492826387 DPSGHLWILQJUBZ-GFEQUFNTSA-N 411.458 1.479 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(Cc2nc(COC)no2)CC1 505672345 IJCAHNWIMXHUBJ-UHFFFAOYSA-N 413.478 1.618 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508477610 MAASISHSLSWARF-GJZGRUSLSA-N 405.503 1.763 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 511276235 KCCBCKHUCUHYOR-UHFFFAOYSA-N 411.501 1.869 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514645646 LLNVUTARUPADNT-HNNXBMFYSA-N 415.490 1.256 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCC(=O)N(C)C1 523399107 BTNUURKPQLKDRO-LBPRGKRZSA-N 410.268 1.835 30 10 HDEE COc1cc([C@H](C#N)NC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC 524244988 CUENLHNVDISAIV-INIZCTEOSA-N 408.414 1.803 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)C1=O 535659227 OKFMJVGFMMZWCX-ZBFHGGJFSA-N 404.854 1.178 30 10 HDEE Cc1oc(S(N)(=O)=O)cc1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 538423898 YCDGCWLYKVLXKN-UHFFFAOYSA-N 402.476 1.524 30 10 HDEE CC(C)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 539460648 GIWYIJVLCCDQCH-HXUWFJFHSA-N 415.513 1.335 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 540469338 QGEFVVZQVAWODT-AYBZRNKSSA-N 401.486 1.120 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCCC1 544726588 VJOUFUWMKJRJKI-QGZVFWFLSA-N 424.954 1.898 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3ccccc3)CC2)n1 544834583 HTHXKRBSOZULTG-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 549690552 VCKFKNWTCPDPAG-HOCLYGCPSA-N 423.543 1.259 30 10 HDEE COC(=O)CN(CCS(=O)(=O)c1ccc(C#N)cn1)Cc1ccc(F)c(F)c1 558163539 NUZRWMAMIXXGQK-UHFFFAOYSA-N 409.414 1.680 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCC1 564334967 NNTUQQLNOXFHBI-UHFFFAOYSA-N 423.560 1.505 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1 581160602 SOYCFJCGVMZKRY-UHFFFAOYSA-N 405.505 1.194 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 717731833 AFPQPHIMPGGIEJ-MRVPVSSYSA-N 412.103 1.456 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNCc2nc(C#N)cs2)C1 721746697 SHRHTROZVBQDRI-ZDUSSCGKSA-N 400.526 1.529 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/c2cc3c(cc2OCC)C[C@H](C)O3)CC1 728536177 NFHLMVMAFYQWIG-LXXRFIIISA-N 411.502 1.316 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 729334248 KTIOLHRTKMUDMR-QUCCMNQESA-N 416.543 1.805 30 10 HDEE COc1ccc(Br)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 732670459 QOGMJOLSWQIIPJ-CYBMUJFWSA-N 400.298 1.819 30 10 HDEE N#C[C@@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)N1CCS(=O)(=O)CC1 732908751 QLDMPFPNHSDOOS-ZDUSSCGKSA-N 420.434 1.763 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCCCC3=O)cc2)CC1 734270766 ZUKJRJBNSZNMFY-UHFFFAOYSA-N 413.522 1.333 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12 735334359 OGNVZLOGNLTFAM-UHFFFAOYSA-N 408.823 1.255 30 10 HDEE COc1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1C#N 746782148 SNBNYBDTZPARIJ-UHFFFAOYSA-N 421.501 1.710 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2ccc(OC)c(C#N)c2)n(C)c1 746887476 QZFBWBDXUSDCQU-UHFFFAOYSA-N 404.492 1.866 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1 750416736 OZVSCNUERFDQFV-CQSZACIVSA-N 419.409 1.836 30 10 HDEE C#CCCNC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 758798764 ZGKHJRWEVXKADD-IAGOWNOFSA-N 406.527 1.947 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)Cc2cccc(OCC#N)c2)c1 760626367 VFFZGXAHYPEJOH-UHFFFAOYSA-N 420.418 1.856 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)c1 763466088 PDCWRCGLLAUETJ-QGZVFWFLSA-N 411.527 1.690 30 10 HDEE COCCN(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(=O)OC(C)(C)C 763718838 OGDHFEDVLVOVNI-UHFFFAOYSA-N 400.439 1.961 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cccnc2)c1 764911772 CRAHYPVBHVTZHY-HAVVHWLPSA-N 415.475 1.263 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC[C@@H]1CCCC[C@H]1O 771065197 XPOROQHZZOWBTJ-DOTOQJQBSA-N 407.536 1.953 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774194888 JOZDWPSIDFQQRQ-QAPCUYQASA-N 403.504 1.706 30 10 HDEE COc1ccc(F)cc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 779125619 VWSPVEWQXFHIRT-UHFFFAOYSA-N 405.451 1.969 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780847831 CUQNRMKMJGRWHG-HXUWFJFHSA-N 413.499 1.742 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780848304 LIKZCEGSQRPXHX-IBGZPJMESA-N 415.471 1.133 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(Cl)nc3sccn23)n1 788695469 OYUOVLMKJVCVLZ-UHFFFAOYSA-N 413.912 1.716 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2c(F)cccc2F)C1)c1cc[nH]n1 789989589 JWSBPDBGDRHFSP-GFCCVEGCSA-N 421.404 1.367 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800771659 GGHRPMYPCFODOG-SFHVURJKSA-N 402.466 1.283 30 10 HDEE Cc1cc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)on1 800848205 VIUQDWDBCKXJMY-FXBPSFAMSA-N 406.464 1.951 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2cc(F)c(OC)cc21)c1cc[nH]n1 801554719 PANJMOXGYZHDMX-CQSZACIVSA-N 404.398 1.645 30 10 HDEE C#C[C@@H](C)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191692 FDKVDPSNYMIQOE-GFCCVEGCSA-N 402.505 1.288 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)n1 808358011 VMWYLSVALURZLD-MISYRCLQSA-N 401.511 1.321 30 10 HDEE Cn1cc(/C=C\C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c(=O)n(C)c1=O 809248117 OXBZPJGSYLYTLE-HJWRWDBZSA-N 420.425 1.392 30 10 HDEE CC[C@H](C#N)Oc1cc(CNCc2nccn2S(=O)(=O)N(C)C)ccc1OC 811479535 HDFKSRFBJFIARB-OAHLLOKOSA-N 407.496 1.517 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCN(Cc3ccc(C)cc3)CC2)n1CCOC 812117585 NJCCNJROEXPSIE-UHFFFAOYSA-N 420.561 1.624 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)NC1CCN(C2CC2)CC1 926014432 YJBGKUUDXVRUCH-UHFFFAOYSA-N 400.479 1.495 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)NCCC)C2)s1 1136493464 BOHQMMGPXYYLOJ-CQSZACIVSA-N 413.565 1.520 30 10 HDEE C=CC[C@H](NC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1138147850 ZEWYLIQQMWWGBJ-IFXJQAMLSA-N 400.472 1.263 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 1143720492 UUGOVTMDYWHMMH-IBGZPJMESA-N 404.536 1.657 30 10 HDEE C=CC1(CC(=O)N2CCN(Cc3noc(C)n3)CC2)CN(C(=O)OC(C)(C)C)C1 1144003228 GHRJRQFHQNFVLE-UHFFFAOYSA-N 405.499 1.835 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCSC[C@@H]2c2nn[nH]n2)cc1Br 1154775858 IDXZCOYFHJXEBZ-GFCCVEGCSA-N 409.269 1.529 30 10 HDEE C[C@@H](N[C@@H](CO)c1ccccc1I)C(=O)NC1(C#N)CCC1 1176842029 NXYPAZRDAUVLAV-RISCZKNCSA-N 413.259 1.865 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCOC[C@]2(CO)C1 1198164337 HKFLMXBPFGSSLQ-OXQOHEQNSA-N 404.536 1.256 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 1203391478 GYBNMYBXIRXMGL-INIZCTEOSA-N 419.551 1.616 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)cc1 1214815670 YMJZOYZKPJUVBY-MRXNPFEDSA-N 406.483 1.952 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1276909880 MKVVXSQLFGFTFB-CQSZACIVSA-N 415.471 1.559 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286284278 AJNLHZBVVMWQCW-CQSZACIVSA-N 415.498 1.430 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1286360937 KVNXVHSSRVOPHA-WMLDXEAASA-N 422.530 1.400 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1286433045 IQTYWFPNFLVTOV-UHFFFAOYSA-N 415.519 1.448 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nccn1C(F)F 1286468633 CZYDHDGUEPXPIX-UHFFFAOYSA-N 418.452 1.866 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286503875 KJHRHKRQURLNAZ-MJGOQNOKSA-N 412.563 1.863 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286710964 GAJPPHSXRISCDG-ZWKOTPCHSA-N 407.515 1.454 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1286711060 HTTSHKKDOAKXSI-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1)C1CC1 1286737495 MVLSDJRBIXDWBE-WBVHZDCISA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)(C)C)C1 1286779250 HGFAXWNRFIGVRE-ZIAGYGMSSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1286787352 STCWLIIDRBBTMM-CQSZACIVSA-N 407.478 1.340 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1286792776 HMMUZDOYKUURDN-IFXJQAMLSA-N 413.469 1.714 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1287160702 FXDVHDVRKDSAMS-BBWFWOEESA-N 401.515 1.078 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCO1 1288352372 CKSPEUVSRWCCQH-RTBURBONSA-N 424.505 1.726 30 10 HDEE C[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1291295722 CFKOPRRPJGVGQA-MAUKXSAKSA-N 415.519 1.724 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1294988698 AJNROYSIPAGBBT-INIZCTEOSA-N 416.384 1.409 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccc(C(N)=O)nc2)C1 1295373785 DAMMVNWCLCXLJP-UHFFFAOYSA-N 400.236 1.890 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CCO1 1299134119 OFWKOLYJCWPBMW-GOSISDBHSA-N 422.445 1.418 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1299142490 SYMRXXOXMOLXAP-QGZVFWFLSA-N 407.434 1.113 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300292951 MMRROMMOVLHGGL-HUUCEWRRSA-N 405.499 1.824 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1300321548 MJZVFVARIRLCDI-WBVHZDCISA-N 404.540 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cc(CO)nn1 1300330367 XGHWUTDTDDWYGF-KBAYOESNSA-N 415.542 1.829 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300408553 AKTVSMZKCMXLDS-MRXNPFEDSA-N 409.556 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1300553666 ODVUPXSTEVVRRL-UHFFFAOYSA-N 412.538 1.089 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2ccco2)CC1 1300731768 UKBJCXCWCSWQII-OAQYLSRUSA-N 415.494 1.281 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@](C)(C(F)F)O1 1301081096 NXGKVQOTYSXICT-YVEFUNNKSA-N 401.435 1.763 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1)C1CC1 1301322715 LSWVVVOKKIDMPS-SJLPKXTDSA-N 402.543 1.885 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1301346926 LOLFBXXINVFLKI-UHFFFAOYSA-N 400.508 1.916 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1301967414 CXDLWXQRGLMVPY-JKSUJKDBSA-N 403.508 1.855 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)C1 1302289511 HNDYKJYPIZBNRJ-QLFBSQMISA-N 418.498 1.302 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)C1 1306652582 UGSHHCHVHNKCRP-RTBURBONSA-N 400.479 1.376 30 10 HDEE CN1CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C[C@H]1CO 1307988958 ULYJUAZTXMJHRR-SFHVURJKSA-N 407.518 1.775 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)CCC1 1308113795 IMWHFPDWMCVFRU-OALUTQOASA-N 421.563 1.933 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CCOCC1 1313042863 JNXHTYDVIBFMEX-UTKZUKDTSA-N 407.511 1.836 30 10 HDEE CO[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1315162475 CYARZKPDFSGGPU-JLSDUUJJSA-N 410.478 1.714 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)n1 1326745470 QJSBYCMBQZCGIU-UHFFFAOYSA-N 407.474 1.983 30 10 HDEE C[C@@H](C(=O)Nc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1)n1cccn1 1339495364 FKHSOXVMPZZQAX-WDWGUKLMSA-N 422.445 1.938 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCCSC3=Nc3ccccc3)n(C)c2n(C)c1=O 1349449602 NJBPOWGGAOSHOA-UHFFFAOYSA-N 411.487 1.843 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1358941583 PRPKWRIZBRMFDB-SPLOXXLWSA-N 416.478 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1358978730 STJSBQZKSNTOKX-OALUTQOASA-N 417.579 1.373 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CCOC)c1 1359011830 NLTSTSRSYYNVCD-UHFFFAOYSA-N 418.505 1.867 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2sc(C)nc2C)CC1 1359029914 KJJKLQJFYUNLTH-MRXNPFEDSA-N 418.567 1.879 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359238500 MXEFSOPXQSUWLO-ZBFHGGJFSA-N 400.458 1.335 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNC(=O)C(C)C 1359296713 RLCPMMIJPIXHIX-UHFFFAOYSA-N 409.494 1.327 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359301860 NOWNTCHZTIMOPL-HOTGVXAUSA-N 415.425 1.424 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1360475477 AZRLGICSFGQYBH-RDJZCZTQSA-N 424.509 1.247 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNc3cc(C)nc4ncnn34)cc2C1=O 1445097163 UDTJAWBDGGNMTJ-UHFFFAOYSA-N 405.418 1.057 30 10 HDEE NC(=O)CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1454045660 XUPDKXYISRZRBN-UHFFFAOYSA-N 420.535 1.447 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1463283690 VTLWRBQWAFBMDG-MGPUTAFESA-N 421.498 1.908 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)c1cc[nH]n1 1465060945 HLIXWDYABQIADO-GFCCVEGCSA-N 411.459 1.065 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1467746318 PSXFTYUKBDLDJW-SFHVURJKSA-N 400.479 1.334 30 10 HDEE CCOC(=O)C1=CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1470117244 XNKMAOJJPVXDCR-AWEZNQCLSA-N 405.476 1.273 30 10 HDEE Cc1ccc(C(=O)N2CC(=O)N(C)c3ccccc3C2)cc1S(=O)(=O)NCC#N 1470214129 ZJQYVHPJPROLPU-UHFFFAOYSA-N 412.471 1.416 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1472318655 LNPZGFWUJYUOQG-MUUNZHRXSA-N 405.524 1.101 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(CC(=O)N(C)C)CC1 1473799295 VBROLUAQLCBQJL-QGZVFWFLSA-N 417.579 1.973 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1)C(=O)OCC 1475578270 IXHITZVPCRBTHH-CYBMUJFWSA-N 405.856 1.834 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ncccc3C#N)CC1)CCO2 1479302250 CRELIZJLPZWRKI-BATSVXPKSA-N 413.478 1.286 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCOC23CCOCC3)nn(-c2ccccc2)c1N 1479538615 QOHSMPNRJADDND-LJQANCHMSA-N 424.505 1.896 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC(F)(F)CO1 1507609950 AUJKSICHTFCMIP-ZDUSSCGKSA-N 414.416 1.686 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2scnc2C)CC1 1507718994 JHFOPUVHRZPXEY-QGZVFWFLSA-N 418.567 1.765 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](Cc2ccccc2)OC)CC1 1507723234 ADSVVPIGKKGPSV-HXUWFJFHSA-N 417.517 1.748 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508088638 HJGRVFUPRHABRP-LSDHHAIUSA-N 417.470 1.091 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C#N)C1 1508095729 ZXPOHTSZGUSWDQ-QGZVFWFLSA-N 410.478 1.450 30 10 HDEE CC(=O)Nc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1508284120 DDVZVWFOWRENNH-HKUYNNGSSA-N 410.478 1.712 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCOCC1 1519529783 IRYNURPCKAIMFE-UHFFFAOYSA-N 419.507 1.105 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1525108982 DKQYQWKKSFVEIB-GFCCVEGCSA-N 401.282 1.174 30 10 HDEE Cn1nc2c(c1C(=O)N1CCC(Oc3cccc(C#N)c3)CC1)CS(=O)(=O)CC2 1528805328 MZWPSQPSKVVHNA-UHFFFAOYSA-N 414.487 1.446 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@H](C(=O)OC)C1 1536539617 SXPJAVMORSLDDG-WFASDCNBSA-N 423.263 1.816 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1539002149 AFQULGSYXYQUAK-AWEZNQCLSA-N 421.523 1.679 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539102541 XFJKYIDCQSEFDQ-QGZVFWFLSA-N 409.450 1.823 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539141814 IYVGNFVGEAJIDO-RTBURBONSA-N 414.554 1.676 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1CN1CC[C@H](O)C1 1539169016 PDSLACNPYAUGLM-FQEVSTJZSA-N 404.518 1.968 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1539172414 ZFQOBFJXWSVWFL-HNNXBMFYSA-N 400.483 1.044 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1539232840 QPDJCINGNZNGFB-UHFFFAOYSA-N 413.566 1.918 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1539416430 OCRWPIZIJGQHPZ-INIZCTEOSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCC[C@@H]2C)CC1 1539427343 BMEAPKOJVMQHAI-IBGZPJMESA-N 415.586 1.436 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](CC)N2CCCC2)CC1 1539460121 WXXLQLOQPUOHCX-OAQYLSRUSA-N 424.597 1.769 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539506147 QXKMTTYZGOBXAR-MRXNPFEDSA-N 417.560 1.277 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1539809044 ZTOIOTZFAFILMM-LJQANCHMSA-N 420.531 1.428 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(=O)NCC)CCC2)CC1 1539824304 QLLQHFSKKJUGKN-UHFFFAOYSA-N 400.527 1.977 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1540859403 ZPAFKIUCJRQSBB-MRXNPFEDSA-N 415.523 1.221 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1540871684 QULPWHIJJWEGAZ-SJORKVTESA-N 418.542 1.073 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCCS1 1541934882 GWBPJFWRHHHION-GRDNDAEWSA-N 412.585 1.914 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 1542973754 YMXRHBPQPKLCSW-QGZVFWFLSA-N 406.914 1.471 30 10 HDEE CCN(CCCNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 1543364152 SKRLPOHJTIXZPG-UHFFFAOYSA-N 424.372 1.696 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1c(C)nn(C)c1C 1546532280 GICLHRVNWYFHOO-CQSZACIVSA-N 420.525 1.616 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2C[C@H](OC)[C@H](OC)C2)cn1 1547618930 FUDXEBUQBVBOIT-KDURUIRLSA-N 407.478 1.931 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@](C)(Cn1cccn1)C(N)=O 1560214511 OJFGXBMCTPQJIU-LIRRHRJNSA-N 400.508 1.607 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc3c(cc2Br)OCCO3)nn1 1561675449 LUAUUPLOVSNSBR-UHFFFAOYSA-N 415.269 1.476 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1561676143 HFYOGLGZBOXCIC-XOKHGSTOSA-N 407.492 1.500 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1561718194 KEHWKOMQFOSOAU-NSHDSACASA-N 416.286 1.592 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCCOCC3)C2)C1 1567795748 TYKWUNSSGRGIQO-BQIYRTECSA-N 406.527 1.612 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)ccc1F 1585476239 DYEDZLHKVZHREC-UHFFFAOYSA-N 408.451 1.768 30 10 HDEE CO[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)s1 1585660343 KTNSTOZCKKWIFU-DUFXMDAXSA-N 419.322 1.595 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)[C@H](C)COC 1586112181 HIWKHUQJFBCDPZ-OAHLLOKOSA-N 412.508 1.379 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1nccc(C(F)(F)F)n1 1587904757 NHSDXTWGITVJFX-UHFFFAOYSA-N 407.400 1.635 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)OCCc2sccc21 1587909185 FZEBQLNESYLGGL-ACJLOTCBSA-N 423.564 1.507 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588045027 FQJSJVBRSFJAJO-KRWDZBQOSA-N 417.535 1.782 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1588154939 IDIBKILEAONBGD-UHFFFAOYSA-N 424.530 1.362 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCOCC1 1588185766 LSRVJXPXIIIKSA-QFIPXVFZSA-N 415.538 1.115 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1594829395 JFIZPLXALOYXFW-DYESRHJHSA-N 421.542 1.578 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC(C)C)C1CC1 1595038654 ZMCNZHJPOFUXMC-UHFFFAOYSA-N 407.482 1.600 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595501427 TUNDFPFKLFVTEC-HNNXBMFYSA-N 420.395 1.886 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595570128 YHSRCPOMNKFIER-LJQANCHMSA-N 422.533 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnc(C)s1 1595788613 DMQGEVGMFXSMJJ-CQSZACIVSA-N 424.552 1.231 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1596832326 VDDFRWIOZYTVJZ-VXGBXAGGSA-N 409.434 1.703 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1597053463 NSCSQIZJLPIISP-CYBMUJFWSA-N 405.248 1.686 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CCC(N)=O)cc2)s1 1611202742 JCFCMDBOSUYIEG-UHFFFAOYSA-N 407.517 1.812 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1)N1CCOCC1 1611498261 AGJWVWQCVPUSKF-QGZVFWFLSA-N 410.522 1.746 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@H](C)C(N)=O)C[C@H]1C)C2=O 1615244014 URQIGPIXVKCXMU-IXGDSRDXSA-N 408.838 1.627 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1618815663 PSOWDUAFGUIUBK-WMZOPIPTSA-N 423.521 1.538 30 10 HDEE O=C(CN1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 1620560062 JVWPWCDYHPCUMU-CVEARBPZSA-N 414.449 1.540 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)n1 1624976247 MSUCCGACHQVAPX-UHFFFAOYSA-N 405.480 1.950 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1626046551 DAFAOCPRCNWKLR-CVEARBPZSA-N 405.499 1.744 30 10 HDEE CC(=O)NC1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1626181170 ZOPZPDCUHAEQSE-ZGOJQLDESA-N 404.511 1.900 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)C(=O)OC 1626188248 UMKBDAGABFLPBT-CQSZACIVSA-N 400.884 1.665 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H](C#N)CO 1627543667 NNYKJHPHWLEENJ-MSOLQXFVSA-N 413.478 1.368 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 1628324480 GWLQVYSLWVNDOK-UHFFFAOYSA-N 414.487 1.410 30 10 HDEE Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629300254 FWTCIBLCDFCWAV-LBPRGKRZSA-N 404.423 1.583 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 1632783227 IHJTVPIQRALSIR-SFHVURJKSA-N 413.430 1.809 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1632950308 SHDWZYIPJNKJSO-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1 1635288164 HXFDVBFMCKJSCW-MWWKQMNYSA-N 410.396 1.861 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 1635650572 JWFGCEXFNQIPES-YJBOKZPZSA-N 419.503 1.926 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)c1 1635905648 GWBIERZDJIUSCL-UHFFFAOYSA-N 414.506 1.614 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 1635993660 QCOUCOOKWNTUGC-HXUWFJFHSA-N 420.872 1.256 30 10 HDEE COCCOCCN(C)CCC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1639698775 LZBISJMYUVEFHY-UHFFFAOYSA-N 408.930 1.845 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1640897130 XWXOGRQRYBJRLF-PMPSAXMXSA-N 414.911 1.333 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1643086002 BIWWAPCUDKUXJP-LXZKKBNFSA-N 418.460 1.543 30 10 HDEE CCc1nn(C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)c(=O)c(C#N)c1CC 1643700379 YKMNEJHIRJBSJH-CYBMUJFWSA-N 416.478 1.792 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCN(C)C2=O 1643920215 DERJUUBQQOAWCQ-CYBMUJFWSA-N 406.487 1.230 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)cc1 1645472031 MKIAXCXMMQIEDZ-SFHVURJKSA-N 418.471 1.804 30 10 HDEE C=CCCC[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OC 1645502585 FMLRCMRCPFNZOX-QGZVFWFLSA-N 402.495 1.525 30 10 HDEE CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)CCn1cc(C#N)c(O)nc1=O 1648100076 RDOVURSEHLYARP-GFCCVEGCSA-N 401.492 1.841 30 10 HDEE O=C(CN1CCC(n2cnnc2O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1653502697 BMKYRWNGWSOLLM-UHFFFAOYSA-N 407.396 1.807 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2cnn3cc(Br)cnc23)CC1 1661996702 LAVWJEBBYIZYJS-UHFFFAOYSA-N 400.302 1.421 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)C1=O 1663042154 BBILNHXHAQFUIQ-KDOFPFPSSA-N 405.520 1.954 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)c1 1663913967 WNSPFYDKRKGJGC-SFHVURJKSA-N 411.487 1.831 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)OCC 1665498199 YJHUYAAWJGDNAP-ZDUSSCGKSA-N 402.856 1.161 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(CO)CCc3ccccc32)c1 1670105240 HMOSDJBACYWNBO-OAQYLSRUSA-N 400.500 1.757 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)CC)cc2)CC1 1671159719 XHFPFDMKTTUPHJ-UHFFFAOYSA-N 413.565 1.148 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCN3C(=O)COc4ccccc43)C2)nc1 1681539946 MEZPIZMKSNWZGU-KRWDZBQOSA-N 420.473 1.965 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 1681803954 DAPVSQZPVYKLMP-FQEVSTJZSA-N 413.499 1.881 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1684862672 BSSCYYZWQQRRAY-LAUBAEHRSA-N 400.479 1.697 30 10 HDEE N#C[C@]12CN(C(=O)NCc3nc(-c4ccncc4)cs3)C[C@H]1CS(=O)(=O)C2 1685100458 ISICOGRGPWXNJZ-SUMWQHHRSA-N 403.489 1.285 30 10 HDEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)NCC(=O)NCC#N)CC2 1686402758 GRLUFAZUOZNELU-MRXNPFEDSA-N 407.515 1.693 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1689826032 HATPVPARUMEKQW-STQMWFEESA-N 410.569 1.974 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1690159608 GSVXHRJGYBCEBP-UHFFFAOYSA-N 415.519 1.655 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1690300613 GSZRXGIXMBWITC-ICSRJNTNSA-N 418.586 1.996 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690308344 LHQATLRDISBJNH-UHFFFAOYSA-N 420.477 1.806 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1690515054 DEFADNXJUXYSQI-CQSZACIVSA-N 416.511 1.140 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690544814 BRTVHIZGQRBUNM-HOTGVXAUSA-N 409.556 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690667253 WUTDBLSFLZTUMB-ZIAGYGMSSA-N 423.514 1.644 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1690674159 QYIZPWYEOIBVKU-QFIPXVFZSA-N 421.505 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1690724604 SFBMBMRQEOKHOH-OAHLLOKOSA-N 416.569 1.161 30 10 HDEE CC(C)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692393471 MFIXCDKBFNENTG-IBGZPJMESA-N 412.542 1.918 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCO2 1692543453 JUVDVQDGRZUXMR-QGZVFWFLSA-N 410.478 1.518 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)NC(C)(C)C 1694738982 NMHKNKFBLIUDRQ-UHFFFAOYSA-N 410.526 1.739 30 10 HDEE CCn1cc(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1695773164 CSXWPNWBHLOPBT-HTXNQAPBSA-N 412.498 1.781 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)[C@@H]1C 1697007083 BGDCPAZBPDZUOA-HNNXBMFYSA-N 412.494 1.869 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1697706288 NYHRBAQSQRTSNJ-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1697922430 HAXUZOBPEMIVIK-VQIMIIECSA-N 416.438 1.370 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1705547544 UABFUEWXXAVOOY-UHFFFAOYSA-N 417.539 1.141 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C2CC2)CC1)[C@@H]1CCS(=O)(=O)C1 1705559382 ZOSOFQKGSWMKCB-MRXNPFEDSA-N 419.551 1.233 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1705564005 JHPHHJCHBPWBAM-CVEARBPZSA-N 419.576 1.806 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567254 VCXLIYSFNVDEPI-IAGOWNOFSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(CC)n1CCOCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1705569281 AWRHYLJXZOYYEU-GOSISDBHSA-N 402.520 1.684 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(N(C)C)CCOCC2)CC1 1705638877 AIMULMBVKTZMJY-LJQANCHMSA-N 416.570 1.386 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705661444 BTCSBJLZWQYBOW-MSOLQXFVSA-N 419.595 1.838 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705704275 RVGULOAZJKJJAL-HZUJVAHNSA-N 413.526 1.622 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1705751307 HDYGNAFEGYJKKI-UHFFFAOYSA-N 424.896 1.913 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1CC 1705900736 NWEJXZZDCHLCCV-OAHLLOKOSA-N 421.505 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1705900893 SNHNIYDEPVVSQZ-INIZCTEOSA-N 412.542 1.291 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705901089 ABSVKOFSIFOESN-IJLUTSLNSA-N 400.405 1.166 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705948568 XOOPGJQVJPOHBV-CVEARBPZSA-N 409.556 1.560 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1706929888 OACRIGWITLMBJQ-OWCLPIDISA-N 417.441 1.701 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1708254641 ARTCWNMILJRUIJ-CJNGLKHVSA-N 409.450 1.030 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1708295772 CNAIFZKPNOHFJW-XJKSGUPXSA-N 411.466 1.237 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2sc(C)nc2C)CCOC1 1710482617 HTWXPLLVCODOGC-DNVCBOLYSA-N 418.523 1.781 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1722292737 JXLLEYKLUGOUKD-GJZGRUSLSA-N 408.462 1.065 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1722413730 QRTHRFKWTZJTAB-WNRNVDISSA-N 421.567 1.507 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(O)c1 1722420996 JGBJRRALKSQFOO-OAQYLSRUSA-N 400.479 1.770 30 10 HDEE C#CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1722464975 VMYYFKKGXPCZFL-AWEZNQCLSA-N 404.540 1.415 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)C1 1724009776 FUHDQXAKVIWEFC-ATZDWAIDSA-N 423.539 1.116 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1725020175 KWLKPIUFWBZLIB-RDTXWAMCSA-N 407.471 1.880 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1730413545 NAZPKVSOKZUXLY-HYVNUMGLSA-N 418.523 1.414 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1c(C)nn(C)c1C 1730838489 CSNGENIRKRMWHB-HNAYVOBHSA-N 405.478 1.843 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740580620 DTQYHTBAGWUZKI-HOTGVXAUSA-N 424.571 1.043 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1740614189 JADISCKOOWRZHZ-UHFFFAOYSA-N 411.915 1.471 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1740624959 LMAMNJPCPBRNNC-IRXDYDNUSA-N 416.551 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=C)Br 1740637732 CHBCPCLLGSZUBH-UHFFFAOYSA-N 402.252 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCc1cnn(C)n1 1740646634 GSXSQBIXDRKAKB-NRFANRHFSA-N 411.510 1.154 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1740673854 JOYSNLLWIPWKTD-QZTJIDSGSA-N 416.570 1.748 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N1CCN(CC)CC1 1740685578 OGWIVNXVVDARQU-PMACEKPBSA-N 418.586 1.284 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1740686141 OVXSVXPPSULAFP-OAHLLOKOSA-N 423.564 1.274 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740792675 KWAPHGZMGNBFFU-ABHNRTSZSA-N 418.542 1.705 30 10 HDEE C=C(Cn1c(N2CCNC(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccccc1 1740801032 YTMACJQIDGTJMK-JOCHJYFZSA-N 411.506 1.968 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC)C1 1740884635 HNRUNUVHFRBARX-HNNXBMFYSA-N 419.482 1.450 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741132700 LKBCQKPLKHFLMK-NHWLHPCLSA-N 413.482 1.294 30 10 HDEE CC(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)N1CCOCC1 1741310758 CJCBVPNNQJNJOD-IBGZPJMESA-N 423.521 1.110 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746283398 KZSVWJMJGNGRHZ-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1747572371 JZGWEDZRIZZRTJ-FOIQADDNSA-N 415.448 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1748677867 LYQSOINQSSHPFK-QGZVFWFLSA-N 412.513 1.630 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1748752324 VFLIZAYJTOHITA-GOSISDBHSA-N 409.490 1.863 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@H]2C1 1748759422 KHXBPZIVNBHNMN-HNNXBMFYSA-N 412.519 1.494 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)CC1 1748993400 WZUOXHMPEGTPSC-UHFFFAOYSA-N 420.439 1.145 30 10 HDEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749175557 IMWASXJXPJUQIP-CRAIPNDOSA-N 416.478 1.899 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1749486679 CQSNYGHIJOTYBW-CQSZACIVSA-N 400.874 1.790 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749741183 SCGVZPKBKDIQSO-KRWDZBQOSA-N 415.567 1.610 30 10 HDEE C=CCSCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749763585 CPEWTDCVNUEWPU-KXBFYZLASA-N 409.556 1.550 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1750347902 MWPHXHWZKCPGNK-ZIAGYGMSSA-N 414.470 1.377 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1751645050 REYWEIUBALQGRI-HNNXBMFYSA-N 406.446 1.990 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCN(CC)CC1 1760204190 HIXMHNYHIMGPBC-HXUWFJFHSA-N 405.550 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760268329 QALVRQJGYCCEGY-GAJHUEQPSA-N 422.533 1.857 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cncn2)nc1 1760327497 HUNHOLYARHNQMO-UHFFFAOYSA-N 421.509 1.941 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)CC1 1760404456 BCPBTNUZMAFEMI-OAHLLOKOSA-N 414.535 1.951 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1760467479 JZEGUWPXNOMSCE-UHFFFAOYSA-N 405.524 1.822 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760524203 RQGPYXWQEHKGGX-UHFFFAOYSA-N 420.521 1.831 30 10 HDEE Cc1nc(CCn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1762317904 RKDYBDKHXUARLK-AUUYWEPGSA-N 402.503 1.584 30 10 HDEE CCc1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764845031 ZKRJFNGYSUNRMR-IVFAQJDTSA-N 400.483 1.374 30 10 HDEE CCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764943845 ULFVPCRBZCVACF-ZDBRSUKYSA-N 402.499 1.618 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(Cc3ccncc3)n1CCCCCO)C2 1770736075 SXNREQWWEALNMH-UHFFFAOYSA-N 419.489 1.961 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1771232348 SEVNCKRZNVUQCL-HOTGVXAUSA-N 420.514 1.180 30 10 HDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772792811 GUKHJKUDPJNPNO-UHFFFAOYSA-N 400.391 1.813 30 10 HDEE N#Cc1ccc(N2CCN(CCOCc3cn(C4CCSCC4)nn3)CC2)nc1 1853282923 LMCVWLUGWMLONF-UHFFFAOYSA-N 413.551 1.952 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)CC2 1853341877 AMZFXORNXSZQFR-LJQANCHMSA-N 419.551 1.235 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)C(=O)C2)cc1 1854037003 HUHDTLYHCWULCZ-UHFFFAOYSA-N 417.418 1.136 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cncnc4)C(=O)C3)C2)c(F)c1 1854165103 YFIZRPSOVYMODS-GOSISDBHSA-N 408.437 1.046 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2Cl)C(=O)C1 1854472912 FUQSMIXBMJSAOW-UHFFFAOYSA-N 420.672 1.240 30 10 HDEE C=CCCC(=O)O[C@H]1CON(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1854576637 ZTDXFRBEXXTMFR-OAHLLOKOSA-N 406.460 1.336 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)C1 1855019568 ROMXMXQXMITQGQ-PBHICJAKSA-N 400.454 1.515 30 10 HDEE C=CCN1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C(=O)C12CCCC2 1856299897 WLPZKXKAHBQUDH-UHFFFAOYSA-N 407.474 1.475 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1856428081 IOLIHEPVWGJGDX-RTBURBONSA-N 417.531 1.516 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCc4ccc(Cl)cc4C3)C2=O)CC1=O 1856565842 IGBVWYNMAXJLEO-AEFFLSMTSA-N 401.894 1.860 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2nccnc2N2CCOCC2)C(=O)C1(C)C 1856767432 INKFSQBTQBPFKM-HNNXBMFYSA-N 400.483 1.068 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1856973597 QQCMAUDLYCQVQF-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857046132 PQFUIUDQZZTPPO-PKOBYXMFSA-N 416.522 1.708 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cc(-n4ccnc4)ccn3)C1)CC2 1857231792 HOQXHPSXFLIVMI-IAGOWNOFSA-N 404.474 1.882 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc(NC(C)=O)cc2)[nH]1 1871480643 RIIFWCMPANILSJ-UHFFFAOYSA-N 424.509 1.722 30 10 HDEE COc1cc2ncn(CC(=O)NCC(=O)Nc3cccc(C#N)c3)c(=O)c2cc1OC 1873867486 YPWRDKVTEVXYEM-UHFFFAOYSA-N 421.413 1.040 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(F)c2)CC1=O 1874336651 CGSSGGZJTATTLQ-RTYWOJFRSA-N 404.471 1.601 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc([N+](=O)[O-])c1 1874436011 HUVBNRMIZXAYEQ-DJKKODMXSA-N 420.451 1.750 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(NCCOCCO)ncnc2n1CCOC 1875227198 LTPUNKLYOPYCIG-UHFFFAOYSA-N 403.483 1.313 30 10 HDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCCN(C)C)ncnc21 1875229334 VTECHIYAXSMMEN-UHFFFAOYSA-N 400.527 1.825 30 10 HDEE N#Cc1ccc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c(F)c1 1889298008 IFJXAAXEILNELN-UHFFFAOYSA-N 411.441 1.249 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3CN(C)C[C@H]3C2)[C@H]1c1ccc(C#N)cc1 1891940972 JNSMZGITGJLIIM-MMKMLUHNSA-N 412.559 1.972 30 10 HDEE COC(=O)Cc1ccc(N2CC(=O)C(c3nc(C)c(C(=O)OC)s3)=C2N)cc1 2084270773 VWAWRGNAWOIMBO-UHFFFAOYSA-N 401.444 1.670 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@@H]1C(F)F 2174789116 MQTSIFCDLILRIP-RWMBFGLXSA-N 408.471 1.557 30 10 HDEE C[C@H](NS(=O)(=O)NCC(F)(F)F)c1nscc1B1OC(C)(C)C(C)(C)O1 2186632457 XTUGWOFDZYQHSG-QMMMGPOBSA-N 415.268 1.490 30 10 HDEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cscc1C#CCN 2186635568 MYNRUHQPTYCPGH-HNNXBMFYSA-N 405.545 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2212754673 UVYIHSRLAGJMHN-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2243421375 JLTMNNPDHOSUPH-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CN(C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247914446 LCWVVGXYHVGFBP-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2250291311 YJCZQXFNMDDUPL-GXTWGEPZSA-N 420.319 1.742 30 10 HDEE Cn1nc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255833662 AABLPGCLSGFLPI-SFHVURJKSA-N 424.354 1.971 30 10 HDEE CC(C)CN(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258170485 MZJKGKYJEGQZKP-INIZCTEOSA-N 411.480 1.567 30 10 HDEE CCN[C@H](C)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709860 JFVHIMXBFITVLK-SNVBAGLBSA-N 408.782 1.977 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](O)[C@H]4C3)cc2Cl)OC1(C)C 2282306003 HFFOHBJQCDLQDR-NHCYSSNCSA-N 419.761 1.702 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]([C@H](C)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314545 AWLGJSOMRXTNLM-STQMWFEESA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H]1[C@@H](C)O 2282322090 GGUBERQOUIEWSG-DGCLKSJQSA-N 401.359 1.890 30 10 HDEE Cc1nnc(CCNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 2282341554 UKEYDWHRIPOPIT-UHFFFAOYSA-N 415.371 1.728 30 10 HDEE CN(C[C@]1(F)CCOC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282420555 AXLVVUOUMLLDPR-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](CO)CC2CC2)OC1(C)C 2282493431 TWMZEEQTOFXDBL-LBPRGKRZSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CC[C@H](O)C2)OC1(C)C 2282503158 VSVORDAXGRDUGV-NEPJUHHUSA-N 402.347 1.023 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC(C)(C)CN)c1B1OC(C)(C)C(C)(C)O1 2282504235 LYFXRHSOAXDMNI-UHFFFAOYSA-N 402.391 1.927 30 10 HDEE Cn1nc(C(=O)N2CCC3(C2)CC2(C3)OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2282597376 JCJYQDYLEDAJJI-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE CO[C@@H]1CN[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282617077 DCIQFSNDANCNAO-MNOVXSKESA-N 400.737 1.807 30 10 HDEE Cc1cc(C(=O)NCCCCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282682892 VNXIMIUVVRSXGI-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CO 2282870182 OAZJDZKLTPSVPV-YVEFUNNKSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](F)C[C@@H]2C(=O)O)OC1(C)C 2284399939 PWADUSMOFHVGBM-GXSJLCMTSA-N 405.278 1.233 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](C(=O)O)C(F)(F)F)OC1(C)C 2284402941 MUDGEQQJKLTRMH-MRVPVSSYSA-N 415.220 1.341 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1cc(Cl)ccc1C#N 2287303503 LUMUJABZBXLIBA-UHFFFAOYSA-N 415.899 1.814 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1nc(Br)nn1CCOC 2307966911 LTXGFUANSWWJGI-MNOVXSKESA-N 402.293 1.603 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2339647506 BDCWDOJSZIFFGR-WFXMLNOXSA-N 423.531 1.990 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339674728 NFSKKKDTTNXBMA-KGLIPLIRSA-N 401.554 1.733 30 10 HDEE N#CCCN1CCN([C@@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2345057874 HWKNBPKCOUNYJY-NRFANRHFSA-N 400.479 1.774 30 10 HDEE COC1(C#C[C@@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362588334 YJPAWAXUIVSSQF-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE Cc1csc(C#C[C@@H](N)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n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c2cccc(I)c2)CC1 2367842267 FLQIMZQUQAXRIU-CYBMUJFWSA-N 404.225 1.474 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CC(=O)N[C@@H](C)CC)CC3)cc2C1=O 30252651 ZKIWVNZGYOZOMI-HNNXBMFYSA-N 412.490 1.141 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(Br)cc2)CC1 45606644 OOWXMOXAHKQWIT-AWEZNQCLSA-N 409.328 1.696 30 10 HDEE COc1ccnc(N2CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)n1 47694276 WWHOGCIJIYJNIN-UHFFFAOYSA-N 411.462 1.873 30 10 HDEE N#CCC(=O)NCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 219763131 WLAYFNPOARGXGN-IBGZPJMESA-N 418.453 1.430 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 238972793 ZOMBFTRVLNAQER-JOCQHMNTSA-N 403.420 1.925 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(F)c1 254713671 NPMISSOGPDLTON-QWHCGFSZSA-N 400.453 1.682 30 10 HDEE CCO[C@@H]1C[C@@]2(NC(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)C1(C)C 431598037 ALBQUZNBUPQLNR-JKSBSHDWSA-N 410.474 1.785 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 434382733 HFXMAKUCECYWPA-HIFRSBDPSA-N 406.426 1.926 30 10 HDEE CC(C)N1C(=O)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1(C)C 464384824 FYUAUIXZWVIFNZ-UHFFFAOYSA-N 406.508 1.350 30 10 HDEE Cn1ccnc(N2CCN(C(=O)NCCSCc3ccccc3C#N)CC2)c1=O 465636343 SZOKERRFROQREW-UHFFFAOYSA-N 412.519 1.417 30 10 HDEE N#CCCn1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 469129884 VWCWBSGUZKSGJQ-FQEVSTJZSA-N 408.418 1.724 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)n1cccn1 482577568 OBZDSBYWCBPPBC-GOSISDBHSA-N 408.506 1.577 30 10 HDEE Cn1c(=C(C#N)C(=O)N(CC(F)(F)F)C2CC2)sc(=Cc2ccccc2)c1=O 488113240 AUJXXXOKNNKVLT-UHFFFAOYSA-N 407.417 1.503 30 10 HDEE C=CCN(C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 489312221 KJMXWFZSYLHREV-KRWDZBQOSA-N 421.519 1.674 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 505861127 BMRQOFGGPZTNGV-IBGZPJMESA-N 406.490 1.554 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccnc1 525405735 MZUYKGRWCKLASM-UNMCSNQZSA-N 403.486 1.817 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CCC(=O)NC(C)C)cc21 526909598 IMQVQPQREFYUSS-POXGOYDTSA-N 406.504 1.833 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cn1 532856932 QTURBNSXIYKPOZ-UHFFFAOYSA-N 420.516 1.357 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 533960717 CKHAGMCCFMOFJY-INIZCTEOSA-N 413.430 1.832 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@@H](C)C2)n(Cc2ccco2)c1C 545193454 PCSAFRCMQCVRLN-ZDUSSCGKSA-N 404.492 1.675 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Br)ccc2OC)C1=O 546783607 JBMNJFLFPAKRME-LBPRGKRZSA-N 403.298 1.865 30 10 HDEE CCN1CC[C@H]2OCCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)[C@H]2C1 559115107 RKXLMACSJQTTDG-JKSUJKDBSA-N 414.325 1.804 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C)c2)CC1 562065737 FLQCXDZXHXMLCW-UHFFFAOYSA-N 405.442 1.622 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 562165598 ONUXWVRDCFMHBB-AWEZNQCLSA-N 410.459 1.295 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H]3CCCO3)CC2)n1 564351394 SWHQVRMEJTYZJE-AEFFLSMTSA-N 409.494 1.554 30 10 HDEE Cn1ncc2c(O)nc(-n3nc4c(c3NC(=O)c3cccc(C#N)c3)CCC4)nc21 585184539 VLQCFRUZMDEBMF-UHFFFAOYSA-N 400.402 1.867 30 10 HDEE Cc1ccc([C@H](CN2CCOCC2)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585693573 RVRMNMSHPSORLJ-NRFANRHFSA-N 424.476 1.812 30 10 HDEE CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 590067630 BDNCHDKXGPENTH-SFHVURJKSA-N 407.540 1.298 30 10 HDEE C#CCN(C(=O)c1cccc(CN2C(=O)CSC2=O)c1)[C@H]1CCS(=O)(=O)C1 729331610 DMVGPRNMEVYTHE-HNNXBMFYSA-N 406.485 1.145 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(Cc3cccs3)c2=O)cc1[N+](=O)[O-] 730250638 ARDFEWDTPQJXCZ-UHFFFAOYSA-N 424.463 1.963 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@H]1CCS(=O)(=O)C1 731213810 UBAZWZBNSAXMJQ-CVEARBPZSA-N 405.545 1.999 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 731862592 HZNKZTADDGFXOQ-CZIZESTLSA-N 413.434 1.454 30 10 HDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155865 HHNKNCLFBCNNCA-XMVKNADUSA-N 424.501 1.629 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 735864810 FRXJZZGWIYOWLF-ROUUACIJSA-N 415.538 1.752 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(Br)cn1 741339978 ALUWWRHTFUAZGZ-FOCLMDBBSA-N 423.223 1.242 30 10 HDEE CS(=O)(=O)[C@H]1CCCC1=NNc1ccc(S(=O)(=O)Nc2ccccn2)cn1 741460941 UNOBHARMSYSFJZ-AWEZNQCLSA-N 409.493 1.642 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1C#N 746873257 UMRRSCYDRNBVDA-UHFFFAOYSA-N 403.460 1.110 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CC2CCS(=O)(=O)CC2)C1=O 755546212 PJJIHYZBQNBAIZ-INIZCTEOSA-N 423.560 1.887 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)c1 756132153 BNKCDJLBRJPJMB-HNNXBMFYSA-N 409.471 1.670 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2ncc(C(=O)OC)s2)ccc1F 759389898 YXVDEYILVPJPMH-UHFFFAOYSA-N 413.452 1.810 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)c1 759788152 XYMMWAZHNARNAD-UHFFFAOYSA-N 406.485 1.562 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@@H]1CCCO1 763436460 SPZNZPPVEZNCCC-KRWDZBQOSA-N 413.543 1.936 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCOC2(CCSCC2)C1)c1cc[nH]n1 772439790 XHVJEORVXGPWGJ-CYBMUJFWSA-N 410.496 1.255 30 10 HDEE C#CCN(C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 774233416 IMNQRTIWECSMTA-GOSISDBHSA-N 404.467 1.386 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781648489 HRHLZUUIPOQLIV-UHFFFAOYSA-N 409.511 1.989 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC#N)CC1 782053490 NZESAGLPRRQECF-GOSISDBHSA-N 421.519 1.868 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782414012 IGZSJIUXZWXRRA-VLIAUNLRSA-N 411.499 1.999 30 10 HDEE C#CCN(C[C@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 784338900 DCVYBCRNMATMIZ-CABCVRRESA-N 420.300 1.450 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccsc2)C1 790741357 HEFWROYPYMOIDN-QWHCGFSZSA-N 409.537 1.620 30 10 HDEE C=CCOCCCOC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 795470797 XKPFRNHFZQDRLX-HNNXBMFYSA-N 409.460 1.760 30 10 HDEE COC(=O)c1cc(F)cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1F 796948463 KSFDUDAHWNDJDC-UHFFFAOYSA-N 403.341 1.887 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)C3(S(C)(=O)=O)CC3)ccc2c1=O 804542647 ZRUGQQMEIFZWAC-LLVKDONJSA-N 407.517 1.567 30 10 HDEE COc1cc(OC)c(Cn2c(C#N)c(C#N)n(CC(C)(C)C)c(=O)c2=O)c(OC)c1 1088738943 GIXXMVOXOCHTAK-UHFFFAOYSA-N 412.446 1.874 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)c3ccn(-c4cccc(C#N)c4)n3)c2)NC(=O)NC1=O 1116902568 HYCKYRMLTCZFGS-QFIPXVFZSA-N 414.425 1.729 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1130018836 KADYFBVBSCZYFN-ZWKOTPCHSA-N 411.483 1.878 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1131664355 USMPBQHUFQWWQB-OAHLLOKOSA-N 422.503 1.729 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1131944628 HTTVHDTYVUQKNU-ZDUSSCGKSA-N 410.400 1.514 30 10 HDEE COc1cccc(C[C@@H](C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)n2nnnc2C)c1 1132853061 KOXXJOMWOQQKAD-FPOVZHCZSA-N 402.458 1.929 30 10 HDEE CC(=O)N[C@](C)(C(=O)N[C@@H](CC#N)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 1134050345 GWPHJXMVXWRGRE-ZFWWWQNUSA-N 405.398 1.402 30 10 HDEE CN1CCN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1135878330 UKZIZJJNBAOGDN-WUZYXKQASA-N 419.570 1.527 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1146352965 HHOJWNZWHSQCSQ-NHCUHLMSSA-N 422.485 1.510 30 10 HDEE Cn1cccc1[C@@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1153958181 CGDPWVDSXCSZAP-INIZCTEOSA-N 402.476 1.054 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(OCCO)CCCCC1 1179864011 NWSDUWKGTOKPPV-HNNXBMFYSA-N 409.508 1.053 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCCC)c(C(C)C)c2)CC1 1191502956 NYDVBBCUCAWYEG-UHFFFAOYSA-N 421.563 1.655 30 10 HDEE Cc1cc(N2CCCC2)ccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198337999 YQKABVQBQIZVNW-OXJNMPFZSA-N 402.520 1.404 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1 1221805571 ZZTHCPJCLHMVLV-LJQANCHMSA-N 401.530 1.864 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1235779284 GLEVGRIIGJHOJO-UHFFFAOYSA-N 423.441 1.755 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1286295741 KRPYMUGDWZEUTD-IAGOWNOFSA-N 421.567 1.431 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286408015 YWQROANPLWLFKK-ZBFHGGJFSA-N 408.531 1.932 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1286448584 YNFYIMLRJJROGT-QGZVFWFLSA-N 421.498 1.258 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCc2nc(C)no2)CC1 1286481620 HQCNIMRPTQEYJE-UHFFFAOYSA-N 406.494 1.343 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(N)=O)nc2)CC1 1286487742 XNEXHPFJCGLSAN-UHFFFAOYSA-N 423.521 1.084 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[C@H](F)C2)CC1 1286490812 SWAJQHGHLBLWBC-RDJZCZTQSA-N 411.485 1.839 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1286622061 BTKCXHAQIFGUGU-UHFFFAOYSA-N 406.899 1.651 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1286714469 PYZFFYFIZCRDMQ-ZDUSSCGKSA-N 409.512 1.576 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1286758447 NTFDMNQVDSQDQA-HNNXBMFYSA-N 413.544 1.214 30 10 HDEE C[C@@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)n1cnc(C#N)n1 1287484857 LHSMDAKIHJQJGK-QMMMGPOBSA-N 410.253 1.442 30 10 HDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1290250313 TUXYKPLTWORHOE-QFIPXVFZSA-N 408.506 1.952 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CN(C)C1=O 1291525089 ZYLGOHIXQODBOL-ASSNKEHSSA-N 409.494 1.805 30 10 HDEE CC/C=C\Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1293701615 CTBZYPLWSCQVNJ-OSJSJHBBSA-N 410.526 1.988 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)C1 1296328878 FLEKJHCNVFBAGK-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1297786752 DWFYWYONKYYIKL-HNNXBMFYSA-N 404.515 1.883 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCNS(C)(=O)=O 1300292420 YNJCVRIICWFABF-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300421976 UXDWNQBNZFIPFY-GOSISDBHSA-N 400.527 1.115 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OCC(F)(F)F)nc1 1300428916 TUHCZCRXCHNZAW-UHFFFAOYSA-N 410.400 1.870 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCn1c(O)nc2ccccc21 1300664523 QEODLPRICHFCIF-UHFFFAOYSA-N 420.477 1.520 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCC(F)F)CC1 1300689485 WEWZJXRPFUVARR-UHFFFAOYSA-N 405.449 1.991 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1ccon1 1301501613 ZMBISAXFNHPPDD-KRWDZBQOSA-N 410.434 1.717 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(Cl)ccn1 1301509793 NDHLTGTXJHVYEB-UHFFFAOYSA-N 417.901 1.388 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1302425080 AFTNFWKULMHSSS-CYBMUJFWSA-N 405.455 1.390 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(Cc3ccno3)CC2)s1 1302936862 UKEIZNQJRCZDOH-UHFFFAOYSA-N 410.521 1.087 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCN2CCCCC2=O)cc1 1302988836 BBNZENOXGMPSBR-UHFFFAOYSA-N 421.505 1.546 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2c(C(=O)OCC)cnn2-c2ccccc2)CC1 1308034420 PKLXEJNGYZWIKH-UHFFFAOYSA-N 410.474 1.838 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OC 1309574466 WZYDDEQAKXQVIC-QZTJIDSGSA-N 422.503 1.662 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1310923269 HNHPZPDQPJZFCA-UHFFFAOYSA-N 401.448 1.296 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC(=O)NCC(F)F)c1 1358901839 YBYZCTVPJHNPAV-UHFFFAOYSA-N 418.448 1.839 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1358912784 YNRYYYGHXUPTIE-IBGZPJMESA-N 417.554 1.955 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1358932454 KZFDMDUKYUVLOI-UHFFFAOYSA-N 414.579 1.990 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1358963115 BVIVEUXWMNVCQS-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1358999388 PKIYOHOMKFQPHY-ROUUACIJSA-N 402.543 1.473 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCN(C(C)=O)CC2)CC1 1359035219 OJGJPEBCQMXGKP-FQEVSTJZSA-N 414.554 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)C2CC2)CC1 1359046157 GWZJBBHTQWCYQG-HXUWFJFHSA-N 422.533 1.655 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1359270170 DVRLXLXIWPCVQY-OAHLLOKOSA-N 403.512 1.338 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359299710 LOWCUQSQHYFHNQ-WBVHZDCISA-N 416.526 1.317 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1359299828 NYGSSIZAHBABHI-INIZCTEOSA-N 415.494 1.825 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1359476350 BWTKFJMHDRQWQD-GFCCVEGCSA-N 401.862 1.678 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1360477768 ASZSWBLHIDZPKN-VLIAUNLRSA-N 404.465 1.952 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)C1 1360780211 FPHQBRRKCFNWSQ-FQEVSTJZSA-N 416.526 1.576 30 10 HDEE C=CCN(C(=O)[C@H](CCOC)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1435068802 LRCJFPIFZHKHMA-MSOLQXFVSA-N 424.519 1.520 30 10 HDEE N#Cc1cc(C(=O)N2CCC(C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cs1 1440638930 FTELHUSAOSGXBQ-UHFFFAOYSA-N 418.500 1.758 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(Cl)cc2Cl)CC1 1455115826 SHNWILYKWGBGFP-ZDUSSCGKSA-N 418.346 1.784 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N 1459586585 BFEZPNYXQSJJCP-MRXNPFEDSA-N 421.498 1.127 30 10 HDEE CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1463215047 BLOHSIJCZJGESQ-ZDUSSCGKSA-N 402.314 1.398 30 10 HDEE Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)n[nH]1 1464289091 MWZNEJMHYHNUOS-HAVVHWLPSA-N 404.496 1.887 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cs1)C(N)=O 1464746439 CGUWXQOOQLGYPW-HUUCEWRRSA-N 409.581 1.734 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1OC 1467810574 BUORMSVEPUVYIY-MOPGFXCFSA-N 419.522 1.892 30 10 HDEE C=CCC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1468126780 YHFPNJCEYGYXQT-CQSZACIVSA-N 422.425 1.998 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 1469331392 AIJINTQKFPZWAU-SJORKVTESA-N 410.492 1.307 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)o1 1470933072 BULLOHDQKWLVOO-UHFFFAOYSA-N 409.187 1.508 30 10 HDEE CC(C)(C)OC(=O)C(C)(C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1471056694 ITMAWEGMPBQIIP-UHFFFAOYSA-N 409.508 1.742 30 10 HDEE C#CCN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C1CCN(C)CC1 1472033525 AMBHNEPLVBYLRN-UHFFFAOYSA-N 401.511 1.873 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)c1 1472616872 GNDQYOACJNAZHA-GHTZIAJQSA-N 411.483 1.263 30 10 HDEE C=CCn1cc(CNC(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)nn1 1477749027 BSPPYZLCUOCOTA-UHFFFAOYSA-N 412.494 1.506 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1477915919 ONZHFLHBVZHVLU-OAQYLSRUSA-N 403.479 1.870 30 10 HDEE C#CCOCCNC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1478294079 IXFGUNZEZUEHOH-MRXNPFEDSA-N 406.487 1.299 30 10 HDEE COc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC#CCO 1479161930 SLQZGMFEHAZYLE-KRWDZBQOSA-N 403.479 1.994 30 10 HDEE CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1500873241 GCVZESBNILCIFW-UHFFFAOYSA-N 417.477 1.929 30 10 HDEE CCCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1501220055 GBOWSXFAXSLFAS-GOSISDBHSA-N 412.494 1.790 30 10 HDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1503379337 AGZVCODMYNEYJK-YWZLYKJASA-N 415.473 1.738 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1504969487 DIFNUSXNUXPORN-BBRMVZONSA-N 423.495 1.138 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1507639525 KXGPNVFWCPNWQW-QGZVFWFLSA-N 419.551 1.384 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(CC)s1 1507643845 ZSNIRRLZEWGFHI-CQSZACIVSA-N 405.549 1.633 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCS(C)(=O)=O 1507661418 VBHRWESIXZFWME-HXUWFJFHSA-N 422.551 1.216 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1507685837 WOGGBBNLHYSHFL-UHFFFAOYSA-N 412.519 1.844 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507710617 INVBNPJVIGCZGA-OTWHNJEPSA-N 405.543 1.367 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507729129 DZMKGPPOVMHSOB-PMACEKPBSA-N 402.587 1.731 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1507844144 CTZAVZSINWOJIL-SJORKVTESA-N 412.556 1.636 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1507844783 PKEHXHZQDXLEDB-MRXNPFEDSA-N 404.515 1.369 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1507846741 WAZAHYUIIWCNCB-UHFFFAOYSA-N 421.505 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(OC)CCOC2)C1 1508126213 GUMGHHREEABEEU-TWFHAPMSSA-N 422.526 1.589 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CCCO2)CCO1 1508373329 ATPOOGCWYZTUTD-DENIHFKCSA-N 424.505 1.727 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1509762119 ZHILPFPLMMMEIX-HOTGVXAUSA-N 412.494 1.867 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1519432849 UJOFBYPYTWUQJK-CNTRQJEFSA-N 419.526 1.672 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(C#N)s1 1529081545 OUEQVCAZXVCIDR-UHFFFAOYSA-N 412.514 1.368 30 10 HDEE C#C[C@@H](NC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2)c1ccccc1 1530143374 PWPBTXDEOPQGNM-CBGDNZLLSA-N 418.515 1.759 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)[C@@H](C)COC 1531888091 YQYOXFYUUWQAHZ-AWEZNQCLSA-N 400.472 1.510 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCCN3CCSC[C@@H]23)ccc1F 1537950506 XJDMGQPUQRHLJZ-HOTGVXAUSA-N 413.540 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(C)(=O)=O 1538982625 HSRJXKRJZXWPKS-ZDUSSCGKSA-N 406.468 1.251 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1539058851 JHJGDYOBTXZMDA-INIZCTEOSA-N 421.509 1.543 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1539066280 SPAUGDRJRRRQNJ-SFHVURJKSA-N 412.538 1.872 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1NC(=O)CC1(C)C 1539279180 XFEDAETZXLWUMD-LJQANCHMSA-N 421.501 1.853 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC(=O)NCC(F)(F)F 1539407775 ONKAPMVBTXHHRD-UHFFFAOYSA-N 413.375 1.849 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(N)=O)c1 1539415942 IIBWXIWGDCZDFQ-LJQANCHMSA-N 411.506 1.600 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539630235 DIZOJZPSXVPZJU-FAJBIJEISA-N 404.511 1.887 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1539960934 JTTYHNSTPCGRJX-MRXNPFEDSA-N 424.513 1.567 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1540069840 YMKOTCJEGBLAAA-OAHLLOKOSA-N 409.494 1.937 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C)C1CC1 1540094327 FPXNISPNGVKLHL-UTKZUKDTSA-N 405.543 1.806 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1540779938 HSZADZWOIKAGRU-MGPUTAFESA-N 403.483 1.944 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540873686 GIQYIFMRQCYZCI-RTBURBONSA-N 424.549 1.875 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1541113718 ZBUGITGXTVAFIE-PBHICJAKSA-N 410.478 1.919 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2c(Br)nc3n2CCOC3)c1 1542150801 GOPKMZSRCLSXEW-UHFFFAOYSA-N 403.236 1.526 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC(N3CCN(C)CC3)C2)cc1OC 1556427206 SXPCHKRWSLODBU-UHFFFAOYSA-N 418.538 1.683 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457979 VQVUYXCHQPJPNL-BZSNNMDCSA-N 412.490 1.936 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1557985336 HQVHGAAZZJYGPH-SCTDSRPQSA-N 400.523 1.792 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3ccnn3C)CC2)c1 1558179631 GRWKANNQDGNWCF-UHFFFAOYSA-N 404.492 1.008 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1559900163 XBRARHIODMHZQR-INIZCTEOSA-N 421.519 1.142 30 10 HDEE C#CCC1(O)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1560098369 GHPHDENOCRXIJZ-UHFFFAOYSA-N 423.473 1.305 30 10 HDEE Cc1cccc(N2C(=O)N[C@H](CCC(=O)Nc3nc4n(c3C#N)CCOC4)C2=O)c1 1586254862 SDPBFIPMJRCCAJ-CQSZACIVSA-N 408.418 1.437 30 10 HDEE C=CCc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc(OC)c1OC 1586519034 OPFXDHIGLMCXRR-UHFFFAOYSA-N 409.504 1.852 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCc2ccc(C#N)cc2)c1 1587233095 BYQKSZPRODWGFO-UHFFFAOYSA-N 416.503 1.109 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2ccc(Br)cc2F)C1=O 1587643784 ZLDJKGHOIYUGEK-UHFFFAOYSA-N 412.215 1.523 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588054169 LCQYGYSPGJFXCC-GOSISDBHSA-N 404.536 1.909 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588064189 CKRKFPFWFCCVNJ-UHOFOFEASA-N 405.549 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccsc1 1588078475 IAFJDPKKVZTJRO-OAQYLSRUSA-N 420.498 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@@]1(O)CCN(C)C1 1588089411 LBOAQSQBSIFCAV-XMMPIXPASA-N 414.513 1.941 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1588185308 DZXCJQAEDXLAAY-VXKWHMMOSA-N 413.522 1.260 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2cnn(C)c2C)CC1 1588848245 BIWFSPBXVAVAQL-UHFFFAOYSA-N 407.497 1.853 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCC)CC2)CC1 1588923467 AFCFTXQJNORJIU-QGZVFWFLSA-N 412.538 1.775 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCCN(CC)S(C)(=O)=O 1589215600 BRHAIUCWVNIWAF-YLJYHZDGSA-N 423.583 1.836 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589381740 HJZJETJPTOOPMO-ZDUSSCGKSA-N 421.303 1.143 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1593908723 OQILUAMHNUUSPK-GOEBONIOSA-N 408.934 1.310 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C2CC2)CC1 1594192751 KYPQTEFCHGIWKM-GJZGRUSLSA-N 410.588 1.773 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1594497328 FQFGEKFJLPVFTC-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@@H](C)CC(N)=O 1595517144 QLEMQEVOJGVWAE-AWEZNQCLSA-N 407.478 1.496 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](OCCOC)C1 1595522614 HIBCAZJJQJUTQT-HNNXBMFYSA-N 403.458 1.628 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)C1 1595790503 NCIKYSABFXCGKT-MLHJIOFPSA-N 405.564 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595796980 CWFATYUAMZCHAA-QGZVFWFLSA-N 421.567 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1595821765 CSEVHCPASUYRMA-QGZVFWFLSA-N 421.567 1.423 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F 1596784244 WACOYVMKQLKHKW-SECBINFHSA-N 400.176 1.671 30 10 HDEE Cn1ccn2c(CCNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)nnc2c1=O 1598003425 XISRIVFFAZDCKH-UHFFFAOYSA-N 423.452 1.014 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1611159716 OJRGKQDVXWOYLN-JXFKEZNVSA-N 411.439 1.741 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1611315634 ZEHLLMCNCNIHRD-QVKFZJNVSA-N 406.494 1.733 30 10 HDEE O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCC(F)(C(F)(F)F)C(F)(F)F 1611602193 NQJAVYMXEBSESV-GCXDCGAKSA-N 406.254 1.098 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOC(C)(C)C 1611679568 YNKDKUIDSQNVPX-AWEZNQCLSA-N 412.560 1.833 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1619677627 LVFGTFSOZIKJIP-ZDUSSCGKSA-N 409.450 1.700 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@](C)(C(F)(F)F)C3)CC2)o1 1620514510 DWEGQQYKDIFHKR-MRXNPFEDSA-N 401.389 1.157 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CC1 1620515840 XWACADDJEGDDLZ-DENIHFKCSA-N 416.497 1.856 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OCC 1622015750 TYFBBMHYLLOGIL-NSHDSACASA-N 423.260 1.473 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1623316501 VYBCSOGHPMVKQI-INIZCTEOSA-N 402.451 1.233 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)nn1 1624018756 UYSFBGZEFFIMSM-UHFFFAOYSA-N 403.508 1.618 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)C(=O)OC 1626205115 XAKSEEZVDMZIDS-GOSISDBHSA-N 415.446 1.831 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)cc1 1628026147 KCTXTDGVYHBMOQ-UHFFFAOYSA-N 404.448 1.201 30 10 HDEE COc1cc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)ccc1C#N 1629539949 KYTIHVNUAWGSLH-HXUWFJFHSA-N 405.451 1.295 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1629811176 GQNWJCLMXYJMDP-KPZWWZAWSA-N 414.443 1.089 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 1630308252 BQTJCVOQFRMZHP-UHFFFAOYSA-N 406.552 1.660 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC2=O)cn1 1632533317 UHMZOBPXKAXIGQ-FMKPAKJESA-N 416.482 1.038 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)n1cccn1 1634245312 QQUPPGGNIJWNGT-INIZCTEOSA-N 417.535 1.888 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1635446397 OJVJNPWEDSWRDF-CVEARBPZSA-N 415.462 1.714 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 1636202113 CWIMGKJKTQXFOZ-ZOBUZTSGSA-N 422.526 1.539 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1637278045 DXMGQXQSVPNIKV-QWHCGFSZSA-N 410.496 1.254 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)c1 1639351975 MRBNVYIHUPHFTE-IBGZPJMESA-N 405.516 1.781 30 10 HDEE C=CCOC[C@H](NC(=O)c1cnnn1-c1ccccc1Br)C(=O)OC 1639559249 VVXXOCCTQLIUDS-LBPRGKRZSA-N 409.240 1.504 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CNC(=O)OCC(F)(F)F)C1=O 1639890287 LWZFFJUOHKNZLU-OAHLLOKOSA-N 410.393 1.977 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC(n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1643513429 XMSVKNBCRBHAEK-MRXNPFEDSA-N 406.487 1.157 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)C1 1644557918 GUMSHOATUVINNI-VFNWGFHPSA-N 405.495 1.488 30 10 HDEE C#CCONC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1645285457 KAFNFBRGPMQCPO-ZFWWWQNUSA-N 400.294 1.724 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(C(N)=O)CC2)n(C2CCCCC2)c1C 1645614050 HFEWFAALRKQIBF-UHFFFAOYSA-N 401.511 1.733 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1645687029 VKTXFMOJJQTJFT-UHFFFAOYSA-N 411.480 1.436 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1646198334 QBPIDLCUNFDNAH-HNNXBMFYSA-N 412.533 1.381 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C(=O)OC)cn2)cc1 1651101874 ZHHLURTZOAZJLE-UHFFFAOYSA-N 403.460 1.605 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1 1653122888 DEBKJTMWNBPYFO-IRXDYDNUSA-N 419.503 1.432 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 1654659197 XYZVEJGAJFNWBX-LJQANCHMSA-N 408.458 1.929 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 1656883885 NUJIBVOPLHGWAB-OAHLLOKOSA-N 404.941 1.261 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 1660547117 ZQLLXFGWSXMOAQ-INIZCTEOSA-N 403.527 1.664 30 10 HDEE Cc1cc(Br)c(F)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1670468199 HYASMDYSNAWBEV-UHFFFAOYSA-N 410.203 1.852 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CC1 1675447398 WOXSYTHFHWOTAS-GOSISDBHSA-N 415.490 1.030 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1678995229 LNNTVWVFXDIAAX-MRXNPFEDSA-N 411.524 1.719 30 10 HDEE CCOC(=O)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 1679053062 GGGALXSCVBQZOR-TUAOUCFPSA-N 422.404 1.929 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1 1681516127 PNEJGHISSGTSKY-JVPBXQGDSA-N 400.504 1.749 30 10 HDEE C#CCN(C(=O)NCc1nnc(O)n1C)[C@H]1CCOc2ccc(Br)cc21 1684772488 JEODLXGTVPBUGG-ZDUSSCGKSA-N 420.267 1.952 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689927776 BWZKXUOWLNILFG-JKSUJKDBSA-N 400.483 1.406 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1690063382 ALBJOQYMRSFHLK-HXUWFJFHSA-N 419.551 1.816 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@H]1COCCO1 1690108030 MVCXQKPGNZUJBT-MRXNPFEDSA-N 404.442 1.498 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)CC1 1690124356 JRIXCNHJMKNDMM-SFHVURJKSA-N 403.552 1.436 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C1CC1 1690609126 DTHBTBLGPDWGOX-QGZVFWFLSA-N 421.523 1.774 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1690646104 GWGBPWBEPCODEJ-WIYYLYMNSA-N 423.565 1.829 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693809075 AJJOIMULWIWDJS-MVZUJROASA-N 423.477 1.015 30 10 HDEE CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1695330059 VHEBODQQEBXPBC-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1696861423 DXRDSVIFIKDYBB-KXBFYZLASA-N 417.539 1.633 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)NC(C)C)c1 1697505389 APUIRWSUUDSPGM-HNNXBMFYSA-N 420.539 1.877 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1698493694 PACUDGDBTHVHOF-RCCFBDPRSA-N 417.897 1.791 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1705490282 GVEPBJUSRULVRQ-CYBMUJFWSA-N 416.432 1.932 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1705592780 UCFLDMAFENTNSS-UHFFFAOYSA-N 410.503 1.171 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ccc(C)cc2)CC1 1705638242 DGQUXCPHKHHMCS-LJQANCHMSA-N 408.506 1.372 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCC(=O)NC)CC1 1705641556 KDFPWMRINWWSNG-UHFFFAOYSA-N 405.506 1.172 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C)C(=O)C1 1705906960 UYKPGQYKVILJQI-UHFFFAOYSA-N 412.494 1.055 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(O)CC(OCC)C2)C1 1705927097 QPLNTQIGLVHSTI-FLPIEVNYSA-N 413.522 1.975 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)o1 1707386618 NEZHODFZRONHRJ-QGZVFWFLSA-N 400.483 1.688 30 10 HDEE COCCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1712383882 FSAYWFYKJKWHCS-HXUWFJFHSA-N 418.521 1.550 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1712604777 VGDUPGZSPAALDU-KRWDZBQOSA-N 422.493 1.483 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1712610556 BKVRTJSHTIYTBK-OALUTQOASA-N 424.505 1.585 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1722321956 LZPJDUPFOOXKEJ-KRWDZBQOSA-N 419.551 1.237 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722367972 YMAXAJUQRYOKBN-WMZOPIPTSA-N 402.520 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN(C(C)=O)C1 1722373707 LUXMHDJGAFVTOO-HKUYNNGSSA-N 401.511 1.333 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1C 1722374870 GARUXZYZUOUPIT-UHFFFAOYSA-N 421.461 1.221 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCNS(=O)(=O)CC 1722393375 AWRACWOFKHYHHD-UHFFFAOYSA-N 400.508 1.132 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)OC 1722393598 FZCWDXULGHXOHD-MRXNPFEDSA-N 414.535 1.736 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1722412886 QYGUAHKTBLLSJO-UHFFFAOYSA-N 415.567 1.257 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)C(C)C)CC1 1722433183 OHLKNISGUPIASJ-GHTZIAJQSA-N 405.543 1.356 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)CCC)CC1 1722445247 NDMQIYMGDNQHON-JOCHJYFZSA-N 410.522 1.857 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722699582 KGECNCHLGCNPGT-MRXNPFEDSA-N 404.559 1.862 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)[C@@H](C)CC)C1 1722722306 ZQRUWRRNYPSTHL-CSODHUTKSA-N 405.543 1.979 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCCO 1729064996 HKATWVKOIIZMNS-UHFFFAOYSA-N 416.530 1.217 30 10 HDEE CN(C)CC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1729333836 XDRPQUYGWJDLAL-AWEZNQCLSA-N 415.498 1.322 30 10 HDEE CN(Cc1ccon1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1729447959 FBROLLGZMAWVTE-VLGSPTGOSA-N 408.422 1.424 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC(C)C)CC1 1740571713 RUYYQKLGQXVWNK-SFHVURJKSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1740594068 ACNGUZPRUVSZNQ-LJQANCHMSA-N 424.553 1.939 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1cccs1 1740630300 AMILXBCDKWSACO-SFTDATJTSA-N 414.531 1.972 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740683858 QBFVJUZSNUYURN-OALUTQOASA-N 412.538 1.925 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnnn1C 1740914147 MUQWUHORDBLQPD-GOSISDBHSA-N 422.493 1.607 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1740964913 XLKYUSXPOFIIIW-INIZCTEOSA-N 416.869 1.541 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N(C)C)C1 1740972986 PIPDLQLLTDIPDO-UWJYYQICSA-N 421.542 1.578 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1741126549 TWOWRBAZLQBYRY-UKRRQHHQSA-N 416.507 1.223 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1741687671 PRTRWDPFMQLBFQ-ZWKOTPCHSA-N 421.505 1.446 30 10 HDEE Cc1cccc(-c2nnc(N3CCOC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742334205 LLVNXAOJNJMXEZ-LZICOFPGSA-N 423.477 1.400 30 10 HDEE CCCN1CCC(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1745682141 PCZQESDQIDSHKN-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCC(=O)N(C)C)CC1 1748984426 MOUJQQPVKAJXPF-UHFFFAOYSA-N 424.505 1.297 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(C)COCCO2)CC1 1749005031 QZSBUVBDTNCBIY-IERDGZPVSA-N 403.527 1.563 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749039704 ZHNMTPLRQIOKFY-QGZVFWFLSA-N 405.568 1.843 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1749283897 DOQUDNRGDDQLMA-VCBZYWHSSA-N 409.918 1.645 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCCC)C1 1749715207 QQYOITVKBYLHDT-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1750563493 GHHBWUMKZAVHRR-UHFFFAOYSA-N 401.515 1.303 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1751103612 ISXLJNTVWOMUHS-OYLHUBKDSA-N 417.514 1.093 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCOC[C@@H]1C 1751200494 AMDGGMUNUUSDBG-ZOBUZTSGSA-N 424.571 1.691 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1751602706 WYMCYNJRNUYWKG-NXHAUGRDSA-N 420.477 1.771 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(CO)CC1 1760152725 XAMCWUSRPQZXDL-UHFFFAOYSA-N 406.490 1.814 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@H]1CCCO1 1760168053 MNFUGXZBMGRMNF-LJQANCHMSA-N 422.493 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1Cc1nnc2n1CCC2 1760250602 LLCNMCKJCOBUHQ-UHFFFAOYSA-N 421.505 1.550 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)(C)C 1760287342 OZQFYRKRMUBUHD-OAQYLSRUSA-N 400.527 1.811 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1764188826 YMSXLQLJRTVEIB-INIZCTEOSA-N 419.530 1.088 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1769272333 BHBWEQHGQRIZDP-INIZCTEOSA-N 411.445 1.645 30 10 HDEE COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CC1=O 1769882038 HLTDBOQYASNPCD-SFHVURJKSA-N 423.521 1.499 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCc2nccn2C1 1770049822 GKDKIBURNNGDQL-BRWVUGGUSA-N 415.498 1.190 30 10 HDEE CS[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770406233 UWEIDIQIBZYLMX-GFCCVEGCSA-N 415.523 1.703 30 10 HDEE COCCN(C)CCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1771076701 OVMKDVZHNBWNIC-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1772564386 SPNDZGKCICEBNM-IXDOHACOSA-N 411.572 1.302 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCC(COc4cccc(C#N)n4)CC3)C2)no1 1849054091 DJACHSMUOSBTGP-UHFFFAOYSA-N 409.446 1.639 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCC#CCN1CCCC1 1850298217 LUWAUDFWYOOXCE-CQSZACIVSA-N 417.453 1.588 30 10 HDEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)C1CS(=O)(=O)C1 1851202410 SJJMRLGZUBURDQ-UHFFFAOYSA-N 412.393 1.888 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1=CC(=O)CCC1 1851915071 IXIOCADXZQUZFA-UHFFFAOYSA-N 408.476 1.473 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1852895104 ARJIBCSNNISZTA-CYBMUJFWSA-N 400.501 1.312 30 10 HDEE CC[N+]1(C)CCC(N(CCn2nnc3ccc(F)cc3c2=O)C(=O)CC#N)CC1 1853463533 NAVVSSCNIMTCIN-UHFFFAOYSA-N 401.466 1.302 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)Cn3cnc(C4CC4)cc3=O)C2=O)CC1 1853651514 KAQRMSWPLPFESQ-IBGZPJMESA-N 411.506 1.654 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCCc4c3ccnc4N(C)C)C2=O)CC1=O 1853793561 RLBQHCOFBVGWQY-MAUKXSAKSA-N 411.506 1.062 30 10 HDEE COc1cccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c1OC 1853869073 SWBAQHBIKZEQIB-UHFFFAOYSA-N 407.426 1.743 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCCC(C)=O)C3(CCCCC3)C2=O)CC1=O 1853915877 DTZOVZKHYWHGDY-GOSISDBHSA-N 403.523 1.764 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(Cc3ccccn3)CC(F)(F)F)C2=O)CC1=O 1854967605 NORMNIBLZDOSEH-GDBMZVCRSA-N 424.423 1.608 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)COc3ccc(F)cc3)C(=O)C2)C1 1855005356 AFFHRUASPMCXQQ-AEFFLSMTSA-N 402.470 1.642 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)C1 1855121796 FDWGCTAZOJVZHK-MAUKXSAKSA-N 410.474 1.059 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(C(=O)c3coc(C)n3)[C@H](C)C2)CCC1=O 1855826008 XGVQNWOVICOHHD-NVXWUHKLSA-N 402.495 1.861 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CCOCC4)C(=O)C3)C2)s1 1856380154 MQXIEPXOIBRRBR-INIZCTEOSA-N 402.520 1.291 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cc4ccccn4n3)C2=O)C1 1857114875 WYVNTCCUIBXAIJ-SFHVURJKSA-N 402.414 1.105 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1858033387 OWQMPMBZNPGLFH-UHFFFAOYSA-N 405.432 1.218 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860993605 XKCXBTQCOJOLDX-SFHVURJKSA-N 416.499 1.747 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)CCc1nc(O)c2ccccc2n1 1867263913 QAMXLRXDCDJWSQ-QGZVFWFLSA-N 405.414 1.255 30 10 HDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)OCC)CC1 1869930049 RUJSITUZKCZAAG-HNNXBMFYSA-N 422.507 1.195 30 10 HDEE CC(C)(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccc([N+](=O)[O-])cc2)CC1=O 1870109557 YFANPFJHUBQUML-CYBMUJFWSA-N 411.422 1.692 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(CCC)CCC)n1 1871507735 VUEQCKDQPPFGPO-UHFFFAOYSA-N 405.528 1.909 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871685071 UWQFKAZFYSNLGJ-UHFFFAOYSA-N 404.421 1.678 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnc4ccc(C)cn34)CC2)CC1 1889383885 VNYBVLTZWIAETI-UHFFFAOYSA-N 423.561 1.905 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc12 1891629913 XXTCDYNGPFSVKK-UHFFFAOYSA-N 412.475 1.776 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2174780705 XKUOHCYTJOBTEQ-NEPJUHHUSA-N 414.450 1.902 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1C#N 2174787083 QGUZGPTZNIRJJV-GFCCVEGCSA-N 408.402 1.996 30 10 HDEE COCC[C@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)C1 2202163141 ASXDDRWJEMFRBO-KZULUSFZSA-N 404.529 1.928 30 10 HDEE Cc1cnc(O[C@@H](CNC(=O)OC(C)(C)C)C(N)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2217464115 NAJCIXIQRZCMHV-AWEZNQCLSA-N 421.303 1.447 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387675 YSHOCIJWBQVNAI-NWDGAFQWSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813083 IVYLZKLTTLYENG-QWHCGFSZSA-N 420.319 1.600 30 10 HDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820752 RQWVQHMDISDJEV-STQMWFEESA-N 420.319 1.837 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)CCNC(=O)OC(C)(C)C 2247832705 TUYYUPNKGSCBNU-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(N)=O)Cc2ccccc2)n1 2247914771 QIEIYYRWNMNJAP-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258166012 OLSPXFXAKYBWRK-CZUORRHYSA-N 409.464 1.320 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)Nc2nnns2)OC1(C)C 2267465364 VTUPHTNQJRNHCN-UHFFFAOYSA-N 402.694 1.687 30 10 HDEE C[C@H]1CCS[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329407 LSRUVZZITKJRGN-NWDGAFQWSA-N 401.363 1.139 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O 2282581654 KTYAAKNXOHUKRV-CMPLNLGQSA-N 401.359 1.907 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](CN)C[C@H]1C 2282834484 VCVIIZKYQLCVRY-YPMHNXCESA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC[C@H]3CO)c2)OC1(C)C 2282851743 GLYSZTJBOKUQPG-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(F)C[C@H](CN)C2)OC1(C)C 2282858819 CXWXIXGLRJCXDG-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE CON1CCC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282863716 VMGFZGUGFXOWKP-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H](O)C2CCC2)OC1(C)C 2282882708 PRESSRLNESUBOM-CQSZACIVSA-N 401.359 1.628 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NS(=O)(=O)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2284393358 JVTUNYNKGHQFDC-UHFFFAOYSA-N 421.371 1.435 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2284400808 YNYLDTTYBOOZAH-UHFFFAOYSA-N 407.294 1.141 30 10 HDEE C[C@@H](ONS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284411093 ZHZVVMCVYYTAOH-SECBINFHSA-N 405.665 1.322 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2298375916 PMNVELFTKABNPK-CORIIIEPSA-N 418.303 1.447 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338652808 FXTVWLHVMSEKDB-KBPBESRZSA-N 401.554 1.583 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367822238 DOJILHAOBJKRKN-KXBFYZLASA-N 400.541 1.307 30 10 HDEE C=CC1(N[C@]2(C(=O)O)CCC[C@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377250263 ZMKXLOZSQQENPB-SCLBCKFNSA-N 402.513 1.562 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 57194450 ACGSPOUTNVLQPT-KRWDZBQOSA-N 404.898 1.139 30 10 HDEE N#C[C@@H]1CNCCN1C(=O)c1cc(Br)ccc1I 232470008 TULALSBFCXCCAT-SECBINFHSA-N 420.048 1.991 30 10 HDEE COc1cccc(CN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254484407 OGQINTPIGCDVSF-KGLIPLIRSA-N 412.489 1.157 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cc(Cl)ccc2F)CC1 301389382 ZGXIXMFGQZZNAP-UHFFFAOYSA-N 422.869 1.961 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 409485546 MUXRYTSALQPDHT-AWEZNQCLSA-N 415.357 1.903 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2nc(Cc3ccccc3)no2)CC1 429353516 KIJFTWUPSYZBNZ-MRXNPFEDSA-N 412.494 1.351 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)cc1C#N 434496106 FQKPQERGJJCCPQ-LLVKDONJSA-N 410.463 1.169 30 10 HDEE C=CCn1c(C2CC2)nnc1S(=O)(=O)CC(=O)N1CCC[C@@H](C(F)(F)F)C1 447381624 NNIKUTWVJGGHDA-GFCCVEGCSA-N 406.430 1.916 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 464196341 ZKPBPTLAEMPAQS-INIZCTEOSA-N 407.492 1.359 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1 479873154 JVVBQHJRMCHDSA-RBUKOAKNSA-N 400.498 1.959 30 10 HDEE CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481059463 YYXAXYMKWGRPLE-GFCCVEGCSA-N 411.480 1.786 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N(CCC#N)CCN1CCOCC1 486816570 AFNARZYRCNUVQZ-UHFFFAOYSA-N 424.505 1.147 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 489640942 LXCZTANCVVVUNI-IBGZPJMESA-N 414.487 1.010 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)cn1C 497358125 MQJBGXYBCUIDKX-KRWDZBQOSA-N 419.482 1.649 30 10 HDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 497572717 GFPFAAGEQMSNJH-INIZCTEOSA-N 411.527 1.992 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505747934 PVKQCUOBKSAYJT-JTSKRJEESA-N 420.554 1.793 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 506473032 GXMNSKXDRFIBKQ-OAQYLSRUSA-N 406.527 1.309 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 508890116 VWKFZELGHSJOOQ-INIZCTEOSA-N 409.556 1.958 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)c2ccc(Cl)cc2)CC1 524277310 LLPXLCFGKPSZKQ-UHFFFAOYSA-N 417.874 1.927 30 10 HDEE CCOC(=O)C1(O)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 524812502 QQEGTEYGZWKVLL-UHFFFAOYSA-N 408.476 1.294 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](S(=O)(=O)N(C)C)C2)nn1-c1cccc(C#N)c1 552267289 VSPFUKNOCVIFQG-KRWDZBQOSA-N 401.492 1.548 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 558985827 DYNRREUSUORISU-GJZGRUSLSA-N 406.512 1.517 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 581208933 ZOCCWWOOURBZQW-GJZGRUSLSA-N 421.441 1.900 30 10 HDEE Cc1ccccc1-n1c(N2CCOCC2)nnc1S(=O)(=O)Cc1ccnc(C#N)c1 586751630 QZKNTCWQRBNGAC-UHFFFAOYSA-N 424.486 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(Cc3ccccc3F)s2)CC1 605416788 KTDXDGBGHVAEIP-UHFFFAOYSA-N 418.498 1.720 30 10 HDEE CN(c1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 611541098 PQLHHIBTFXKKMP-IBGZPJMESA-N 409.508 1.960 30 10 HDEE C=CCn1c(CCCc2cccs2)nnc1N1CCN(CC(=O)N(C)C)CC1 669804254 FGTFSYTZQSAFRQ-UHFFFAOYSA-N 402.568 1.911 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 670215609 OGNGASBCMZBPEP-UHFFFAOYSA-N 403.531 1.719 30 10 HDEE CN(Cc1csc(C#CCO)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703967445 ACALFLHCAPCSMS-UHFFFAOYSA-N 418.496 1.150 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCCC1=O 725884996 TVMAKNRGGRLPKF-UHFFFAOYSA-N 420.535 1.414 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 731185536 FBTPWJXMHHSZON-CQSZACIVSA-N 424.429 1.440 30 10 HDEE C[C@H](CC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 742598837 PVCRCWFXAIVVAH-VXGBXAGGSA-N 418.441 1.257 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 743729003 UTDRTZVMUAVUFE-CQSZACIVSA-N 415.540 1.726 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760400335 JHKIWMDWDOHHIL-KRWDZBQOSA-N 416.507 1.685 30 10 HDEE COc1cccc([C@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCO2)c1 766982492 IDJDYPLOGAGXQR-WQYLVOBCSA-N 400.435 1.305 30 10 HDEE O=C(C[C@H]1CCS(=O)(=O)C1)OCCC#Cc1ccc(CN2CCOCC2)cc1 770730072 JKXOZVJMUXTQBP-HXUWFJFHSA-N 405.516 1.628 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCCO1 773556301 IQDCGCWPCGLUBR-RTBURBONSA-N 405.520 1.592 30 10 HDEE C#CCN(C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1)[C@@H]1CCS(=O)(=O)C1 774056508 CEYHKEHRFQFRPN-OAHLLOKOSA-N 403.464 1.457 30 10 HDEE C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCN1CCO 779405657 RPDBADSDYIUPTI-XAIYEJPOSA-N 423.539 1.030 30 10 HDEE Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780210735 SXJCKEHLBXYRGX-IBGZPJMESA-N 415.833 1.852 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(S(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 790625895 YAMSYPXRFKNRJQ-IBGZPJMESA-N 415.556 1.872 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(C(=O)C(=O)OCC)CC2)CCCN1C(=O)OC(C)(C)C 790650549 ITPXFTUEUMKTOY-OAQYLSRUSA-N 423.510 1.566 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793499751 REMNTFBVNTVLOA-KRWDZBQOSA-N 411.550 1.621 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 794893173 CXXUQKHOVGGMKM-QRQLOZEOSA-N 420.437 1.579 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)cc1Cl 795829570 NCDOWRDIYBHSLG-LLVKDONJSA-N 401.847 1.627 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc1F 802342642 LEBQAXJNPBGPCQ-HOTGVXAUSA-N 401.442 1.709 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 805092519 KSZNCENKMKYABK-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 805879166 DISVIWMUWQCZIC-DYEKYZERSA-N 405.528 1.445 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)N3CCO[C@@H](C#N)C3)CC2)CC1 813239619 TZFZGVGAPSJIJS-ABHNRTSZSA-N 421.542 1.784 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCC3)c2=O)cn1 814255164 YXGUNAFUDHFUFV-UHFFFAOYSA-N 411.531 1.367 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)cc1 1129604375 CVFNIFOZMZGPKW-OAHLLOKOSA-N 417.425 1.855 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3noc4c3COCC4)CC2=O)cc1Cl 1134245500 CRLLLLZQQZZKQO-LBPRGKRZSA-N 400.822 1.942 30 10 HDEE CN(C)[C@]1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)COc2ccccc2C1 1138108986 YOCIIGLMDMHTMW-JLHGSKIFSA-N 414.506 1.797 30 10 HDEE C=CC[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OCC 1138146892 COIUFLZQNKLFHX-WWMYMODYSA-N 404.463 1.773 30 10 HDEE C#Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 1141043441 YWZAXRXDVBKOGB-UHFFFAOYSA-N 404.513 1.609 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc4nccc(C(F)(F)F)n4n3)CC2)c1 1141312237 CUKVFQIKBHNBBZ-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE CC(C)C[C@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCNC1=O 1141515328 YEBSRTUHARRFCR-QFIPXVFZSA-N 408.506 1.927 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1146206090 DWLHFSILSYRQHM-JOCHJYFZSA-N 403.482 1.594 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CO)c2cccc(Cl)c2Cl)C1=O 1148056127 LVXROIKTWFFKQN-LLVKDONJSA-N 400.218 1.120 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 1154959149 PEVRSISLUDNXRB-CQSZACIVSA-N 413.590 1.313 30 10 HDEE C[C@@](O)(CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccccc1Br 1155763015 NPJBZRWVUBBSEM-IECKCJDVSA-N 422.279 1.689 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)cc1 1158574819 ROVGHDKBNXBYPC-OAHLLOKOSA-N 418.475 1.399 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1160058352 AKLIHJWJBFQUSG-IAGOWNOFSA-N 415.494 1.484 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C 1163169348 BQFYKFCNCIPKCC-IYBDPMFKSA-N 408.524 1.060 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)C1 1177758962 IXSPEWRTOIZMIN-MSOLQXFVSA-N 412.490 1.668 30 10 HDEE Cc1c(C#N)cccc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1256638215 AVCJPJXKKLUZBB-UHFFFAOYSA-N 414.267 1.521 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 1272408583 MMBYRFUHOLGFSK-GFCCVEGCSA-N 418.381 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(C)CN(C)C1=O 1286417058 VPJVYMYKIKXRMR-QFIPXVFZSA-N 407.474 1.417 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccc(N2CCOCC2)c(F)c1 1286417154 YCKWCYCHFDHNPY-UHFFFAOYSA-N 411.481 1.911 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H]1OC 1286460886 KZRJRASNUWPJIG-IAGOWNOFSA-N 412.494 1.827 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)C1 1286799138 RSCAUMNQLMSTBS-ROUUACIJSA-N 419.526 1.491 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1289086245 ZKDXFRXPIOXEHP-HIFRSBDPSA-N 413.482 1.547 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCC(NS(=O)(=O)c2cccs2)CC1 1290636679 RZEFMBOKUKSMDG-UHFFFAOYSA-N 404.513 1.675 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)n1 1297349710 GJTGNBYTHBHGEC-UHFFFAOYSA-N 424.505 1.422 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)[C@H](C)CC#N 1299315466 RCSRXDMMKYOPBK-GFCCVEGCSA-N 412.466 1.435 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1300365316 ULBASZSMHJGFQZ-HZPDHXFCSA-N 407.540 1.076 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(C)cc1 1300430611 OQVNRUIRRCUCNV-HOTGVXAUSA-N 405.524 1.734 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cccnc1OC 1300441560 RSGRTTQZLNYESP-UHFFFAOYSA-N 411.487 1.870 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1300511645 KICGTWVJRXYKSR-QFBILLFUSA-N 408.449 1.816 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1301044263 DUSCUNKPPJGXGO-UHFFFAOYSA-N 420.920 1.971 30 10 HDEE C#CCCN(CCOC)C(=O)c1cc(S(=O)(=O)NC)ccc1Br 1301378560 HJQGHJUMGKYZMB-UHFFFAOYSA-N 403.298 1.469 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1301383821 MWUJEHRRQDBUJY-KSZLIROESA-N 402.543 1.907 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1301578442 ASNUDTFBHRBVBA-WBVHZDCISA-N 421.523 1.181 30 10 HDEE CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302754246 GDJBHTZDVIJWQU-INIZCTEOSA-N 405.572 1.736 30 10 HDEE CC(C)Cc1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1302831881 APMYQLIEODFYCX-HNNXBMFYSA-N 414.601 1.594 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1303001031 MAINHIKSPQXBDO-CYBMUJFWSA-N 421.445 1.847 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1303847594 JOUXSYPGICQWSZ-RVMXOQNASA-N 409.430 1.057 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1304725095 HCFFPJZRLVIION-UHFFFAOYSA-N 420.477 1.064 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1307969767 SYBLOYTYSFANOZ-SJORKVTESA-N 418.567 1.145 30 10 HDEE C=C1CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1313276675 WBONMBXLGJJFNR-HNNXBMFYSA-N 401.529 1.772 30 10 HDEE CC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(F)ccc1OC 1313325596 JYXBPWIPLZJCDK-OAHLLOKOSA-N 401.398 1.686 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1314635929 AUIGNIJQJMXPMA-UHFFFAOYSA-N 407.478 1.947 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CCO1 1315014026 TZJAMLQMPOJGNJ-ROUUACIJSA-N 424.505 1.583 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nncn2C)cc1OC 1315401767 BUJBMNJFMBWJAI-LJQANCHMSA-N 412.429 1.581 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1316173600 GMTYIDDLGNTPGK-GQIGUUNPSA-N 407.515 1.672 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1323594252 BLCLMIAQFBKNHR-VHSSKADRSA-N 400.497 1.101 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@]3(C#N)CCCOC3)cc2)C[C@@H](C)O1 1349632156 UFBMDYVMIPLXJU-ZRGWGRIASA-N 407.492 1.743 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 1357413205 KPQNRMJXXMCWOP-UHFFFAOYSA-N 424.338 1.330 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1358931472 CDBUJNUIBOXGSM-UHFFFAOYSA-N 416.551 1.538 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCc2nnc(C)s2)CC1 1359033914 WBNYVJQYGYXIBB-UHFFFAOYSA-N 410.551 1.832 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](C(N)=O)C1 1359058636 KYJLOTAAAFAODH-KRWDZBQOSA-N 413.547 1.946 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1359060356 SRAVAALPOBZEDX-SFHVURJKSA-N 415.567 1.611 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)CC1 1359178496 SWBNXXNPAPCWCE-MRXNPFEDSA-N 407.540 1.456 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 1359299214 YVQNQBNQODJKKV-CQSZACIVSA-N 403.874 1.216 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1359301630 FFAWKOSUSQQZBM-INIZCTEOSA-N 400.502 1.841 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)COc2cccc(C#N)c2)C1=O 1438741006 ODFTUYKFMNJXDA-QGZVFWFLSA-N 401.463 1.776 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)c1 1452339701 PNYFDHOHKMTJEZ-FQEVSTJZSA-N 421.482 1.504 30 10 HDEE CC(C)(C)OC(=O)N1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1452753850 BPUFPFOYPNHTKA-UHFFFAOYSA-N 422.507 1.890 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@]4(CO)CCCC[C@]4(CO)C3)CC2)o1 1456715169 VLAKIDHDYPMWJC-OYRHEFFESA-N 402.495 1.445 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cc(F)ccc1F 1457183366 AKMWLYREQLLDOO-PIGZYNQJSA-N 409.414 1.353 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OC 1458614717 NFESMNADUHFYLI-JSGCOSHPSA-N 411.480 1.065 30 10 HDEE C=CC[C@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1461772267 YCKGXZWAQLNOIC-KRWDZBQOSA-N 405.520 1.578 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1466192577 XRIULJIHYDSJMV-HNNXBMFYSA-N 418.498 1.430 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C 1469875092 UBMHBDMRHOSSQJ-FIKGOQFSSA-N 403.479 1.810 30 10 HDEE C=CCn1cc(CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)nn1 1470583895 IIQRKPUOHOAGEF-UHFFFAOYSA-N 405.466 1.536 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCc3cc(Cl)nnc3C2)[C@H](C#N)C1 1478403965 ONRBKMHENNRDMD-CHWSQXEVSA-N 406.874 1.957 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1503359092 HDNRGNVTQJEHTJ-YWZLYKJASA-N 404.490 1.873 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)c1 1505313691 DEDMHMQOLQJIQS-ZWKOTPCHSA-N 410.478 1.324 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CCCn2ccnn2)c1 1505313748 FUOPHRRJROAFRC-KRWDZBQOSA-N 419.493 1.590 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507544387 VNOJVTYZMSMZQK-RDJZCZTQSA-N 410.478 1.612 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1507552920 VOCFDDXDZWJZSO-UHFFFAOYSA-N 403.527 1.949 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1507583087 NVKWMFRATNLZKY-UONOGXRCSA-N 421.523 1.677 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CCC)C1 1507653068 MRXAIKJLFQIBID-KRWDZBQOSA-N 408.506 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1507670518 OJRZALAJSOARJR-UHFFFAOYSA-N 411.531 1.694 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1507679879 SMBXZWGNCHTMTG-ZWKOTPCHSA-N 424.615 1.716 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)C)CC1 1507739683 UATCHQDLPAWFKY-KRWDZBQOSA-N 421.567 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOCCOC)CC1 1507740269 ZQKMZOKXHNBSRQ-SFHVURJKSA-N 419.526 1.149 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1507986927 YNQRSVAKEKWRRY-UHFFFAOYSA-N 421.523 1.523 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1508012814 JUGDWXDGRBFCRL-UHFFFAOYSA-N 416.507 1.681 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1508080817 RGXKLYYEXBGEHB-UHFFFAOYSA-N 408.462 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)C(C)(C)C1 1508140257 HFRHQCPUFQDXGM-CABCVRRESA-N 409.556 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(C)C)C1 1508140864 KCAUKHVHPBYSIO-CVEARBPZSA-N 409.556 1.702 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1509951242 GDCSVXBZSGFMRA-YEJXKQKISA-N 420.477 1.811 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1516717834 NWUOHWPOZRUFPU-SFHVURJKSA-N 401.467 1.617 30 10 HDEE C#CCOCCC(=O)N1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1523329435 PHEDBPOPZOZLDG-HVSHRVNHSA-N 400.519 1.679 30 10 HDEE Cn1cc(C2=NO[C@H](C(=O)Oc3ccc(C#N)cc3I)C2)cn1 1524634449 JWMDPHXWRXZUPK-AWEZNQCLSA-N 422.182 1.995 30 10 HDEE CCOc1ccccc1C(=O)NCCCC(=O)N1CCC(C#N)(C(=O)OC)CC1 1525837718 DRDROAAFKCXDKQ-UHFFFAOYSA-N 401.463 1.901 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21)[C@H]1CCS(=O)(=O)C1 1528599958 MDTDBHOIYGJRRX-RKTXRCNFSA-N 408.317 1.984 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1529681237 ATHSEPMSGBTNII-KRWDZBQOSA-N 400.475 1.895 30 10 HDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cnn1CCC#N 1531447757 ZYUNGFVUKUFQDD-UHFFFAOYSA-N 416.507 1.294 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1538582585 FXSMMEYCAXHYNX-NRFANRHFSA-N 403.479 1.742 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)Nc3c(C#N)c(C)nn3C)cc2[N+](=O)[O-])CC1 1538615825 XEQPVMLCQKDOJC-UHFFFAOYSA-N 411.422 1.429 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3nc(S(C)(=O)=O)ccc3Cl)CC2)c1C#N 1538692919 QBKZBPUEOQWZMR-UHFFFAOYSA-N 422.898 1.015 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539153519 FIVQHGHCYHUJJD-LVCYWYKZSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1539195080 LNGZLUFZYRLJRA-LJQANCHMSA-N 408.506 1.645 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1539428225 NXLOPGOLENNUFT-RTBURBONSA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1539517420 NKUNFXOTLAACOX-KRWDZBQOSA-N 413.503 1.435 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(COC)CCOCC1 1539533151 KSIAOTQDBVTCQM-HXUWFJFHSA-N 403.527 1.852 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1540040123 MNLGGWCGUHEYPE-INIZCTEOSA-N 405.499 1.383 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Oc2cncc(Cl)n2)CC1 1540857196 FREYAKHOZFQWPH-ZDUSSCGKSA-N 403.874 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540864577 FEPSRDJDFLKVGY-GOSISDBHSA-N 421.505 1.432 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2CCOC2)CC1 1540902161 BUERAWLQTWBJGX-ZWKOTPCHSA-N 424.567 1.636 30 10 HDEE CC(=O)NCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1541067025 BYJQPTGYLZAVRU-QGZVFWFLSA-N 411.466 1.095 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)n1 1543051993 KYFYBXXJSBROFE-MRXNPFEDSA-N 422.493 1.745 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1546046731 JKDIERNDIXQVKC-QGZVFWFLSA-N 401.463 1.622 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1546256408 WNVONQGAFCKRRO-UHFFFAOYSA-N 423.498 1.910 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1555185237 GVTSDJCZCGWSDB-JXXFODFXSA-N 404.515 1.598 30 10 HDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1555345519 AXKLGWGAJLRUMU-XMSQKQJNSA-N 410.522 1.746 30 10 HDEE COC[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555369375 GIDUZPAEWUCQQB-AMGRQBIBSA-N 402.499 1.476 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC4(CC4)C3)n2CC(=O)NCC(F)F)cc1 1555989682 PGUSBCYZXFBHBM-UHFFFAOYSA-N 416.432 1.815 30 10 HDEE N#Cc1cn(CCC(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)c(=O)nc1O 1557977874 LCGYWJVYTMMIJQ-UHFFFAOYSA-N 410.356 1.079 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)cc1 1558960935 IVEHGFNNEJGJFK-UHFFFAOYSA-N 416.503 1.630 30 10 HDEE COc1cccc(C(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1559032968 PPIPNUMBNKNABZ-UHFFFAOYSA-N 411.414 1.329 30 10 HDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[C@@H](C)COC 1562252089 SNSJJZKHLUEEJH-INIZCTEOSA-N 410.540 1.678 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(CC)sc3c2)CC1 1562992126 YJLDEHPHGAADKI-UHFFFAOYSA-N 407.521 1.476 30 10 HDEE COC(=O)c1nc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1Cl 1565046265 MVTRCQVJQSELAK-UHFFFAOYSA-N 414.853 1.820 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(=O)cc[nH]c2c1 1568299027 DJYWEHWELHHKJN-CYBMUJFWSA-N 410.455 1.383 30 10 HDEE N#C[C@H](CO)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1569054757 AFYWCFIHDQJENK-MRVPVSSYSA-N 404.146 1.663 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl)C(=O)OC 1570221688 SHXVDGNLBLUXAA-HNNXBMFYSA-N 400.884 1.664 30 10 HDEE CC1(Nc2nc(CC(=O)NCCn3cc(C#N)c(O)nc3=O)cs2)CCCC1 1585295745 LCTZDRJMJQZWNC-UHFFFAOYSA-N 402.480 1.381 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCO[C@H]1C 1588093346 KGSPEJHGQGCZBP-SBUREZEXSA-N 416.485 1.948 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N(C)C 1588612680 JIIHZGGHHFOBAE-UHFFFAOYSA-N 405.524 1.231 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(N)=O)cc2)CC1 1588801084 UQFJTYSSLJEPET-UHFFFAOYSA-N 403.490 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@H]2C)CC1 1588923628 HAUABMJELXWRDL-SJLPKXTDSA-N 423.521 1.374 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589515097 LBGFOZUEXWCKBP-FHWLQOOXSA-N 411.506 1.878 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1594499033 ZIVZSJASFIGXOF-MRXNPFEDSA-N 413.526 1.971 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1OC 1611533529 PWHQYQXNPYWQFT-UHFFFAOYSA-N 423.487 1.732 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)COCCO1 1611801606 KFCHORPHLITEIS-HTAPYJJXSA-N 424.505 1.714 30 10 HDEE Cc1nccn1CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1612452948 YTBPNTNPYCEVAK-UXHICEINSA-N 417.489 1.966 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1612477178 HMQALYAWJYSFDE-HNENSFHCSA-N 410.482 1.265 30 10 HDEE Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612613784 YOPANVQYFYNLIU-HMDOMZECSA-N 422.489 1.561 30 10 HDEE C[C@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1612704347 AFXFRXYKFGHEAS-MAUKXSAKSA-N 410.478 1.605 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC(=O)N1C 1612912568 YFCUZVDMYZCHOD-WMLDXEAASA-N 421.505 1.398 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1)OC 1613615658 BHDNVYSCCNHYKS-JKSUJKDBSA-N 419.507 1.502 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1616346216 GGGPUORAMXFEOO-LKXWOGMASA-N 406.483 1.713 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnnn1-c1cc(Cl)ccc1Cl 1616346231 GMWOICBANGVMRB-BMRADRMJSA-N 421.244 1.830 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1618610723 HVIBYEDULMURES-RBUKOAKNSA-N 424.505 1.503 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)Cc1cnn(C)c1 1623890676 RWRCGZVDPDYIKM-CABCVRRESA-N 400.907 1.723 30 10 HDEE N#Cc1cn(CCC(=O)NCC2(N3CCSCC3)CCCCC2)c(=O)nc1O 1627826677 GPHJBBVNSYTFNP-UHFFFAOYSA-N 405.524 1.079 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1628328493 YJSDSVZIZGOOBB-HNNXBMFYSA-N 408.329 1.058 30 10 HDEE Cc1nn(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)c(=O)o1 1628596362 BMRXVRNSPVSRHI-HNNXBMFYSA-N 420.267 1.316 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1629978779 VNQZJSLZOZEOFL-ZWKOTPCHSA-N 424.542 1.523 30 10 HDEE CC1(C)NC(=O)N(CCCC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1635882198 OQUPCBURZPIVNS-UHFFFAOYSA-N 401.442 1.457 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCc2cc(OC)ccc21)c1cc[nH]n1 1638150099 FQUJWQAQSIEAAX-OAHLLOKOSA-N 414.462 1.938 30 10 HDEE N#Cc1c(N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)ccc([N+](=O)[O-])c1N 1639147417 QUDNADZUKAPZPC-UHFFFAOYSA-N 423.401 1.838 30 10 HDEE C=CC1(CC(=O)N2CCN(c3nnc(C)n3C)CC2)CN(C(=O)OC(C)(C)C)C1 1639573841 YLWJIQUUWUASDC-UHFFFAOYSA-N 404.515 1.585 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CCOCC1)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640676489 RCMDKURFVRWVPT-YJYMSZOUSA-N 405.520 1.825 30 10 HDEE C=CCn1c(SCC(=O)NC[C@@H](O)CC(=O)OC)nnc1-c1ccc(Cl)cc1 1642181351 PTFCUKMOTQNJQK-AWEZNQCLSA-N 424.910 1.917 30 10 HDEE CNC(=O)N[C@@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1644495838 DHBQCTSPUZRVFA-MRXNPFEDSA-N 412.494 1.950 30 10 HDEE CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)CCn1cc(C#N)c(O)nc1=O 1645855443 JEYWXFRIOFJYCT-UHFFFAOYSA-N 407.471 1.315 30 10 HDEE C[C@H](CC(=O)NCc1nc2c(s1)COCC2)/N=C1/NS(=O)(=O)c2ccccc21 1646205144 XBJBRGXSHRKLJQ-LLVKDONJSA-N 420.516 1.349 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCCONC(=O)OC(C)(C)C)c1 1647968991 GSDAECMKEKNRTQ-UHFFFAOYSA-N 411.480 1.174 30 10 HDEE N#Cc1cn(C2CN(C(=O)CSc3ccc(Br)cc3)C2)c(=O)nc1O 1648787675 UVAWOCQNMIQKNA-UHFFFAOYSA-N 421.276 1.759 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C 1649011088 DIUVZJZONLABQX-CHWSQXEVSA-N 403.435 1.827 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cnc2c(c1)c(C)nn2-c1ccccc1 1654717954 QORXLOKWOZRZSV-UHFFFAOYSA-N 420.516 1.608 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(Cc2ccccc2)c1C 1655355329 VWWKXYGYUPCOFH-KDURUIRLSA-N 419.485 1.510 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)C1 1655612254 ALFHZZWNCJZFDF-GFCCVEGCSA-N 415.313 1.745 30 10 HDEE COC(=O)[C@@H]1c2ccccc2OCCN1CCS(=O)(=O)c1ccc(C#N)cn1 1655787081 UOQZVOWPOXYABG-SFHVURJKSA-N 401.444 1.336 30 10 HDEE C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCO[C@](C)(C#N)C1 1656288981 JRMPZTYKNJICPZ-SJKOYZFVSA-N 414.915 1.532 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)S(=O)(=O)c1cccc(C#N)c1 1662465003 ADNFURNNZYMRNQ-UHFFFAOYSA-N 413.452 1.044 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1669272065 GBQZXMWZCLMRNQ-RYUDHWBXSA-N 422.320 1.808 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)c1 1669725861 BKUGVFJILUJWGS-UHFFFAOYSA-N 407.513 1.960 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1679332761 AYGNXNSURMCGQH-IRXDYDNUSA-N 406.508 1.783 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 1682226126 CMPOGUXBNCXBGM-ZRSRNVLSSA-N 410.474 1.546 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)N1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1685737480 MIFAUIQRKGKDGB-GOSISDBHSA-N 421.586 1.667 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689967661 NCJQLXNPYIULSA-HNNXBMFYSA-N 405.499 1.359 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCCO1 1690032906 LWAONDUMBJLCKC-ZWKOTPCHSA-N 421.567 1.701 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cnnn1 1690057869 KAUZPNRCFSERQO-UHFFFAOYSA-N 407.482 1.684 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1690102534 NYKNBVQZDRPHOX-INIZCTEOSA-N 420.583 1.143 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCCCC1 1690102761 UPNNEEVNQGAHAR-SFHVURJKSA-N 403.527 1.661 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@]1(N(C)C)CCSC1 1690102987 ZIWVBBMLASFQCU-FXAWDEMLSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1690110711 WUXUFXZIHQWMKZ-ZWKOTPCHSA-N 402.543 1.233 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)F 1690236730 QIJQQHIVEKIPSZ-IPYPFGDCSA-N 421.514 1.961 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690268187 AJTNNSPNACXNRD-IBGZPJMESA-N 405.524 1.216 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690288012 CVOWKMKMFOWYAQ-ZBFHGGJFSA-N 406.512 1.068 30 10 HDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N2CCOCC2)CC1 1690367616 VJYBRXTZASXLNM-UHFFFAOYSA-N 412.450 1.869 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1690465119 SDOWIBBXWHCISJ-QGZVFWFLSA-N 422.555 1.707 30 10 HDEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690483076 HRTZPFPRDUJKFA-UHFFFAOYSA-N 400.527 1.829 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(C)cc2C1 1690627602 KANCPBGDWFMGBY-CQSZACIVSA-N 405.524 1.954 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccs2)CC1 1690668856 LZFAZOWASWOMHT-UHFFFAOYSA-N 412.523 1.369 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1690672361 PTKWGAXYRUWSFW-UHFFFAOYSA-N 418.586 1.718 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CC)C1 1690674401 ZMGORENLGNTTFU-KRWDZBQOSA-N 409.494 1.434 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)C1 1690699669 HRYYYAJWOSILDR-STQMWFEESA-N 403.405 1.242 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCOC2)CCOC1 1692584187 UPDUNKMSYKQTDW-SFTDATJTSA-N 419.526 1.600 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1695867597 HLQNMBBOIUBZTK-HNNXBMFYSA-N 410.526 1.148 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696585155 UXBHPHLOWPGNMG-UHFFFAOYSA-N 420.477 1.297 30 10 HDEE CN(C)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1696607874 JRBCVNQDNBPHON-LAUBAEHRSA-N 411.485 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705474120 CPVABMIARAPFAM-LHSJRXKWSA-N 407.478 1.394 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1705541574 MWUFZPMFINMSTA-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705553484 YRDZUVHFWOZJFQ-LEWJYISDSA-N 409.534 1.856 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705571943 MAHXKLQEYJNVCL-IBGZPJMESA-N 416.547 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC 1705593544 CXTXITLENZIKFB-QHCPKHFHSA-N 424.501 1.967 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CCOC)CC1 1705662895 PEUFOSFXSQXTLU-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1705844126 WMLHKNDVSZTHDK-SFHVURJKSA-N 419.551 1.844 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1705907947 CLDPNUMCGRRAAW-YRNRMSPPSA-N 407.515 1.094 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCn2ccnc2C1 1706850527 SYFKJJZNFUFWRU-QLFBSQMISA-N 420.543 1.086 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC2CCOCC2)cn1 1711251709 QVNRICSNPGCPQC-SFHVURJKSA-N 415.498 1.241 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712882868 OBUSDBNQLLGMLL-DXQAYGFFSA-N 411.466 1.048 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722298081 UWDJKORTSQXWIY-GOEBONIOSA-N 407.565 1.670 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1722303273 OCVBRQOGUPRVST-HNNXBMFYSA-N 415.469 1.736 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1722307814 AVMSEFJMOGSMDB-FUHWJXTLSA-N 423.583 1.945 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1722352896 QSMOADBNRTTWKM-AWEZNQCLSA-N 411.528 1.164 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1722353867 VEAVKMGQDLTTEV-ZDUSSCGKSA-N 405.480 1.043 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1722365658 OXGVNBPGVKGNEU-SFHVURJKSA-N 402.520 1.489 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC)cc1 1722380899 BSCLOSUVZXPYBJ-SFHVURJKSA-N 404.474 1.100 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@@H](C)C1 1722429310 PNHVYBXNNYPYAO-OKZBNKHCSA-N 424.567 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)CN2CCOCC2)CC1 1722435218 HXSUKNVZMHAQMI-LJQANCHMSA-N 409.538 1.064 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1722474215 MRTKZELAYYOPAI-MBOZVWFJSA-N 421.567 1.936 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1722517763 NOMAJGIXNWQPNG-RRFJBIMHSA-N 401.508 1.544 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)n1 1726056970 FPXAJMRYUSLACL-XLIONFOSSA-N 416.505 1.302 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1729232471 KWXJXJLICNHQQP-HHHXNRCGSA-N 423.564 1.456 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCO[C@@H]1CCOC1 1740558634 UKGVBFKOPBTGLS-HZPDHXFCSA-N 417.535 1.923 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nccs1 1740629979 DAOGACMFDNFWQZ-CQSZACIVSA-N 406.537 1.050 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCN(CC)CC1 1740634012 BJBJFEGFNIIZJT-UHFFFAOYSA-N 415.545 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC1CC1 1740641852 NZWZYVQYYPWGIL-UHFFFAOYSA-N 414.535 1.037 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)CC1CC1 1740656038 LINYCIZESQTOAL-GOSISDBHSA-N 404.536 1.460 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCOCC1 1740660997 LWMCNMYQRQZEPT-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1740689641 CCEGJPMQSBWOSW-QFIPXVFZSA-N 408.550 1.347 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740694413 IWKSBFKNYMXIBQ-QZTJIDSGSA-N 421.567 1.242 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1740803870 WDBVMZXZALVNGQ-OLZOCXBDSA-N 414.923 1.074 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740808242 CUVJSYNFYXCRMU-INIZCTEOSA-N 402.890 1.841 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740842521 CMKTUEHWZJIALD-OAHLLOKOSA-N 404.515 1.068 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1740891034 PBIVIFGTJKKBOO-CVEARBPZSA-N 414.576 1.011 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(S(C)(=O)=O)CC1 1740893338 GPVPRMBXHLSXAU-UHFFFAOYSA-N 424.548 1.548 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](COC)C1 1740955309 PNZVMEWCCCXSBX-HNNXBMFYSA-N 415.494 1.737 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)CC2)CC1 1747544494 CATYBSBSTMKFAI-UHFFFAOYSA-N 407.522 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1748638329 MZDYEDUSGULDHH-NSHDSACASA-N 409.372 1.062 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1748662399 WBLFBSHMZOWKNG-HNNXBMFYSA-N 413.507 1.138 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1748758985 BHQCKLWYXPQYGV-HXUWFJFHSA-N 414.535 1.645 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nncn1-c1ccccc1 1748771176 IIYWHHXPNCQBEK-NRFANRHFSA-N 407.478 1.629 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(OC)C2CC2)CC1 1748971165 FXYQDQSKZKQYTO-OAQYLSRUSA-N 400.527 1.084 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1749031740 HYHHGKBEYAAQGC-QGZVFWFLSA-N 400.552 1.941 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(O)CC(OCC)C1 1749049673 NXFJNQMLCGBOHB-ZWVUXNTGSA-N 401.511 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749130416 LKCIWQCGYXZHSS-XWSJACJDSA-N 419.526 1.105 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(N)=O)nc2)CC1 1749292507 RNRSPYMDXMQMRN-OAHLLOKOSA-N 400.483 1.701 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1749342339 YPYOQEWVPVMCLT-QFBILLFUSA-N 410.540 1.472 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2CCC[C@@H]21 1749677522 BQGZLQJYGDLOTH-GJZGRUSLSA-N 414.535 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](COC)C1 1749730894 UUXCSZCWFDAXBO-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE COCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1749757262 ICDKHOKOPPDFSG-FWWJWKNHSA-N 404.471 1.129 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1760109928 IAXNMQYCAATQGV-CQSZACIVSA-N 411.491 1.149 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1760110040 KCAUODAVJJPJNX-MRXNPFEDSA-N 410.503 1.777 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCCN(C)C)cc1 1760172370 ZDAXNCLQYOJULG-IBGZPJMESA-N 410.522 1.677 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1Cc1nnnn1CC1CC1 1760221422 VNQLBHQJIBVRSQ-UHFFFAOYSA-N 406.519 1.838 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760357005 BMBQCOVTDNMKNV-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760358463 WDBCKLXXEFGFQM-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760437614 JFXJORMMTLHGSO-HNNXBMFYSA-N 421.505 1.825 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CC2)C1 1760440297 GVAXNGGPFQMWFU-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)NC(C)C)C1 1760541011 SVFMEXNESRXBEN-INIZCTEOSA-N 422.555 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@H](CC)C1 1760554988 SUHGSHQTDCRVJJ-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CCc1nnc(N2CCN(c3ccccn3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1763103579 QCNJVYIQKXQRTN-FMQUCBEESA-N 422.493 1.089 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1763225425 URVCTBJMTVWXGM-PKOBYXMFSA-N 424.505 1.870 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1766579910 WWCGNVMFAFMTDM-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CCOCc1nnc(N2CCC(CC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767835921 IEGNBBJBDIYVOY-HNENSFHCSA-N 402.499 1.967 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1769305884 ZMFDZRIFLISWMS-UHFFFAOYSA-N 422.445 1.802 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1770054328 YNWCOKRWUAQHOX-SQNIBIBYSA-N 420.558 1.851 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(N)=O)c1 1771112527 RJKPZKIPYFDMGN-SFHVURJKSA-N 412.494 1.686 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(O)c1 1771222867 NGPKYKOEDATYHZ-HOCLYGCPSA-N 417.466 1.493 30 10 HDEE N#CC1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1850004427 KXRNRTXAIVCHLZ-UHFFFAOYSA-N 404.536 1.827 30 10 HDEE Cc1c(C(=O)N=C2NS(=O)(=O)c3ccccc32)nnn1-c1ccc2c(c1)CCC2 1850796414 ZIRZWRYASTVFAX-UHFFFAOYSA-N 407.455 1.943 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 1851049672 MSHJBGHRBJNCQE-IAQYHMDHSA-N 401.847 1.383 30 10 HDEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)nc1 1851792614 OURUYMSKJOQFKX-UHFFFAOYSA-N 419.420 1.708 30 10 HDEE Cc1ccn(-c2cc(N3CCN(C(=O)c4ncc(C#N)cc4Cl)CC3)ncn2)n1 1851937487 OVEPRVLSTCZOEC-UHFFFAOYSA-N 408.853 1.853 30 10 HDEE N#Cc1c(NC(=O)CN2CCOCC2)n(CCc2ccccc2)c(=O)c2cccnc12 1852325381 YPGJFBGQCAUYMX-UHFFFAOYSA-N 417.469 1.782 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1 1853359235 VPXJZOFABAKDOE-UHFFFAOYSA-N 418.567 1.329 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC4(CC3)CC4(F)F)CCC2=O)CC1=O 1853710838 WBKZQKJOCUEBBZ-JKSUJKDBSA-N 409.477 1.907 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cncc3cccnc23)C1=O)[C@@H]1CCN(C)C1=O 1853805130 ZADASMACBNZZLV-ZWKOTPCHSA-N 407.474 1.480 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855887815 HQVFUBYZVMXXAY-QGZVFWFLSA-N 403.504 1.379 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1856092857 UJPNQPMUUSOXCD-UHFFFAOYSA-N 403.382 1.622 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3ccnc4ncccc34)C(=O)C2)cc1 1856369296 USICGALLLAKNTN-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856558913 PGDNQGGSTUTOHQ-QUCCMNQESA-N 417.550 1.964 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C1(C)C 1856769193 XNEKGUXPSQAWLC-CQSZACIVSA-N 409.483 1.741 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCOC4)C3=O)CC2)n1 1856974387 GNMBQXREHPVJKT-IEBWSBKVSA-N 412.490 1.598 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nc(C)n3ccccc23)C1)[C@H]1CCN(C)C1=O 1857263882 UMOLBJOZZLELSC-WMZOPIPTSA-N 409.490 1.350 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 1858033035 AEPIIMSOJBTPSK-UHFFFAOYSA-N 417.487 1.682 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861267640 AMLUDCWWIFIWGY-QZTJIDSGSA-N 415.877 1.428 30 10 HDEE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)ccc21 1867204544 QHQQSFAPYPPRCR-KRWDZBQOSA-N 406.442 1.542 30 10 HDEE N#CCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1881288551 ZKJFWWYAEHISSA-SFHVURJKSA-N 414.439 1.917 30 10 HDEE CC(=O)N[C@H](Cc1ccccc1F)C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891394706 BYPJJQYEJAPLHY-SJLPKXTDSA-N 411.437 1.605 30 10 HDEE COC[C@@H](C)NC(=NC[C@@H]1OCCOC1(C)C)N1CCN(c2cc(C)ccn2)CC1 2087917813 GFTVPQOTYZYGKS-MOPGFXCFSA-N 419.570 1.687 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243403601 ZWDUQYXBHPKYNL-STQMWFEESA-N 406.292 1.494 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NC[C@H]2CCN2Cc2ccccc2)OC1(C)C 2247858050 KPQAKYDBVJQBTG-QGZVFWFLSA-N 408.311 1.780 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248416085 LUGURZQBGGREMV-CYBMUJFWSA-N 421.303 1.859 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)s2)OC1(C)C 2255943852 WYJKBCPZVCEAKV-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281966145 NNNDTCMYKYIMSI-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE Cc1cc(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282010971 BLPCQJHXCDUDBU-VXGBXAGGSA-N 401.359 1.907 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCS(=O)(=O)[C@H]1C 2282585788 QBXCDHRWJLNVEP-WDEREUQCSA-N 400.331 1.056 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282620117 AREVLQRGQOHJKC-UHFFFAOYSA-N 422.765 1.370 30 10 HDEE CO[C@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282624613 NAEPZVXZICMXKS-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CN([C@@H]1CCCSC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282844623 GTAQLCFTMIVZEM-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]23CO[C@](CF)(C2)C3)OC1(C)C 2282856873 ZPLZDYBPFWVBIO-WKILWMFISA-N 403.306 1.597 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](N)[C@@H](C(F)F)C2)OC1(C)C 2282858141 SCNKHCMPLGPMEL-GXSJLCMTSA-N 408.301 1.260 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS[C@H](C(=O)O)C3)s2)OC1(C)C 2284397341 LEYZVFQUQDEZJE-JTQLQIEISA-N 419.355 1.238 30 10 HDEE CC[C@H]1C[C@]1(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400897 CKSJKAFMVPYZJM-MGPLVRAMSA-N 401.315 1.579 30 10 HDEE CC(C)N(CCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284405037 FOMZMEWVFMTEOH-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284411341 IZUSRPJZRWXCJM-ZYHUDNBSSA-N 401.315 1.674 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC/C=C/C(=O)O)c(Cl)c2)OC1(C)C 2284414601 ISTRSFPZGZHLMM-AATRIKPKSA-N 401.677 1.558 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@@H]1CN(Cc1ccccc1)C2 2315538193 GBUQBIVJXOSEKZ-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336245562 JHKJMGCEPPPXQI-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)C(=O)N1CCN(C(C)(C)C#N)CC1 2360587400 VMQMAYCKUNZNLF-CQSZACIVSA-N 400.460 1.949 30 10 HDEE C=CC[C@@]1(CO)CCCCN1C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360589697 AJCGZCZXNGABGM-KSSFIOAISA-N 404.529 1.244 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2367801315 QTMCUSFMIYJYQI-HZPDHXFCSA-N 400.541 1.429 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 2367821468 BUAHVUDAHPQHDS-KHYOSLBOSA-N 400.541 1.353 30 10 HDEE COC(=O)NC1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2379973665 NUIGUIMYRPUBQE-UHFFFAOYSA-N 400.693 1.881 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 9333848 OUHXYLCBCSAFKT-UHFFFAOYSA-N 401.444 1.717 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2)CC1 14867900 HBVQXLFEXBOWCJ-UHFFFAOYSA-N 420.516 1.295 30 10 HDEE S=C(NC[C@@H]1CCCO1)N/N=C1\C2CN3CCN(C2)CC1(Cc1ccccc1)C3 22862638 GYZRKHBILYGCGK-XGZFKDBJSA-N 413.591 1.476 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 53874715 QJNXNZOHGKSQDR-OAHLLOKOSA-N 417.487 1.567 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)c2c(C(=O)Nc3c(C#N)cnn3C)cnn2C)cc1 170576992 IBLZOSCKGSSOCW-UHFFFAOYSA-N 413.463 1.411 30 10 HDEE Cn1c2ccccc2c2nnc(NN=C3C(=O)N(CC(=O)O)c4ccccc43)nc21 252598960 DFMKROFEVPVULS-UHFFFAOYSA-N 401.386 1.764 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 410067068 JDRMCXZTAXCJKU-ZFWWWQNUSA-N 417.325 1.655 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 434842064 NTSGNUKEDHVWIX-MAUKXSAKSA-N 415.563 1.790 30 10 HDEE Cc1nc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccnc2[nH]1 436080466 MPJASLZZSOICEG-UHFFFAOYSA-N 410.459 1.285 30 10 HDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCCOc3ccc(C#N)cc3)ccc2O1 443767153 YOSUPWORANJIAG-LJQANCHMSA-N 416.455 1.782 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 460389957 ROOLKRAAXAYQHP-ZIAGYGMSSA-N 401.558 1.129 30 10 HDEE COc1cc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)ccc1C#N 462481351 RYWXQSLMUBMPCK-FQEVSTJZSA-N 423.517 1.655 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(=O)[C@H](C)C3)nnc12 473271356 SLSKZTWFAORELT-CYBMUJFWSA-N 411.487 1.760 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1nnc2n1CCCCC2 480111019 CIRAMHDBUSWEJJ-UONOGXRCSA-N 416.507 1.420 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 480111328 SDWZVIMBKXAXAT-UHFFFAOYSA-N 406.402 1.280 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](c3ccccc3)c3nc[nH]n3)C2=O)cc1 488268987 ZAWSZYQGYRUCNF-RBUKOAKNSA-N 415.457 1.866 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 509235352 MLMVRAMSTDFKML-INIZCTEOSA-N 415.465 1.989 30 10 HDEE Cn1cc(C(N)=O)cc1C(=O)[C@H](C#N)c1nnc(N2CCOCC2)n1-c1ccccc1 532292975 UVFJNQDIRFDTCH-INIZCTEOSA-N 419.445 1.031 30 10 HDEE C=CCCC[C@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 537263954 HXWKFOJDOWMEOB-INIZCTEOSA-N 422.551 1.422 30 10 HDEE CN(CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 541165024 OWLZDUIUCGSEGL-CQSZACIVSA-N 407.883 1.455 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 555266897 JHJAXZBNQAPEFT-MRXNPFEDSA-N 407.482 1.372 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 558965286 YMHHGTITXREIGH-UHFFFAOYSA-N 418.479 1.754 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCCO2)CC1 559124590 WTAIEYPUYVUKFI-UYAOXDASSA-N 424.505 1.743 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1CCN(C(=O)C2CC2)CC1 578224525 APSQJTKZQFCJEI-UHFFFAOYSA-N 412.877 1.916 30 10 HDEE CCC[C@H](C#N)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 581571168 BZEZDWWBVCHQLP-OAHLLOKOSA-N 408.524 1.443 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)NC(C)=O)cc1 604195862 WRGFAIXIKHKKFE-FQEVSTJZSA-N 407.474 1.878 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@H]1CCS(=O)(=O)C1 729333871 AWWCLQQBOSXCTE-CVEARBPZSA-N 421.494 1.719 30 10 HDEE C[C@@H](C#N)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 732111229 FXHAHTYUHMXRBA-NSHDSACASA-N 416.297 1.359 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)OC(C)(C)C)CC2)CC1 734268664 XEEDBPMJNWIFFA-UHFFFAOYSA-N 409.531 1.015 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 738169813 MFQMMRVHDHYULJ-OAQYLSRUSA-N 424.549 1.382 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 742408770 XADCBDLWKUFRBP-UHFFFAOYSA-N 404.879 1.708 30 10 HDEE C#CCN(Cc1csc(CC(=O)Nc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 744397255 FVMJLLUIHMAPKZ-QGZVFWFLSA-N 403.529 1.947 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCOCC2)c(F)c1 746132877 BQJYCOPGBSPUHU-FMQUCBEESA-N 402.426 1.195 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1 746403005 KVGXTKYIGUNWEL-CQSZACIVSA-N 406.323 1.401 30 10 HDEE N#Cc1cccc(C(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)c1 748261077 BXCILZRTABKKTD-NRFANRHFSA-N 417.421 1.760 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)C(=O)Nc2ccn(CCC#N)n2)C1 754936258 HZXRSXZBHKPXTE-CQSZACIVSA-N 404.471 1.499 30 10 HDEE CC(C)CN(C(=O)COC(=O)c1c(F)cc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 756588580 GIZYHHXWWUEILX-CYBMUJFWSA-N 414.430 1.665 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(Cl)c(C)c2)c(=O)n1-c1ccccc1C 760379644 WMFMEKOXXHOUIR-UHFFFAOYSA-N 424.913 1.813 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760661398 COLHLCDIBJTZDE-CVEARBPZSA-N 401.463 1.990 30 10 HDEE C#CCNC(=O)c1cccc(-c2noc(CCNS(=O)(=O)c3ccc(C)cc3)n2)c1 761793182 YTBQEJQGKKBKQP-UHFFFAOYSA-N 424.482 1.929 30 10 HDEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 764240413 IAZOKAFXURPRMA-RHSMWYFYSA-N 405.524 1.967 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@]2(C#N)CCSC2)C1=O 771404059 WJOCGDHRSJBQHG-RBUKOAKNSA-N 402.476 1.286 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCN2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 774212865 KXZUNZUDSUGPFB-IBGZPJMESA-N 419.547 1.493 30 10 HDEE C[C@H](c1cccc(F)c1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 775535355 IZGAPZUBFBDWKM-MSVBSMQLSA-N 400.454 1.947 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](OC(=O)[C@H](O)c2ccc(C#N)cc2)C1=O 780208849 FETKOOROORFTGQ-LSDHHAIUSA-N 400.412 1.788 30 10 HDEE CN1C(=O)c2ccc(NC(=O)COC(=O)C3(c4ccc(C#N)cc4)CC3)cc2C1=O 781399065 HRLZVXOPPSMHPB-UHFFFAOYSA-N 403.394 1.998 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(-c3ccccc3O)n2)c1 782572463 FNDWIGZVKPUSBJ-UHFFFAOYSA-N 413.411 1.711 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)n1 790104699 KTCOWHHLZIDWAU-IBGZPJMESA-N 414.531 1.787 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 792747698 MXYLRTNMBVYKNC-LOLMUTCCSA-N 415.563 1.404 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NCCNc3ncccc3C#N)CC(=O)N2C(C)(C)C)cn1 795032517 ROWWVABAWPRSSD-SJLPKXTDSA-N 409.494 1.603 30 10 HDEE COc1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C#N 810869198 BLGOJNCTGDZODB-ZDUSSCGKSA-N 412.471 1.700 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 810983534 TXIKSJKBWFABQN-HOCLYGCPSA-N 408.524 1.663 30 10 HDEE COc1cccc(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 811137055 PGYDTVBENJMMJX-GFCCVEGCSA-N 417.443 1.333 30 10 HDEE CCCN(C(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914680211 RYDHRVXWZSOZHV-YQQAZPJKSA-N 422.503 1.683 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916775519 VGRONLURKXEQFM-FQEVSTJZSA-N 424.482 1.733 30 10 HDEE Cn1nc2c(c1C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)CS(=O)(=O)CC2 1126858618 VIHQWKPGKAHBQC-UHFFFAOYSA-N 411.405 1.691 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1129758366 BCSMVNGEVXCCLY-UHFFFAOYSA-N 403.485 1.844 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN(CC)S(C)(=O)=O 1136337540 MGWXVLKPBHJFNN-ZDUSSCGKSA-N 411.952 1.810 30 10 HDEE C=CCn1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn1 1162480302 HNWYDUMZQIDYRL-CHWWFWEZSA-N 400.483 1.867 30 10 HDEE Cn1c(=O)[nH]c(N2CC[C@H](C(F)(F)F)[C@@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1164164920 LKFNCEHWWBZOKB-QWRGUYRKSA-N 417.388 1.227 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1165315060 RPIBHKVUDLXSKV-CABCVRRESA-N 407.492 1.463 30 10 HDEE Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3c(C)cc(F)cc3C#N)CC2)no1 1208182749 GXLLGCLDHJYQDN-UHFFFAOYSA-N 421.454 1.247 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1212168402 GARYBMDBAHOHFL-INIZCTEOSA-N 421.567 1.200 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)C1 1248674966 BOIZMYNFAVINDU-OAHLLOKOSA-N 402.499 1.086 30 10 HDEE COC(=O)CC1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1265540746 CKXXTYZNOHRVSS-CQSZACIVSA-N 419.865 1.793 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2coc(C#N)c2)c1 1271795899 KLOASSZBFVDOSV-UHFFFAOYSA-N 412.265 1.931 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c(C#N)c2C)C1=O 1276704566 AJNLNZYPGZTSIM-UHFFFAOYSA-N 405.208 1.545 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc3cccnc3c2Br)C1=O 1280422957 JLXPBEQYXQBFAE-UHFFFAOYSA-N 418.203 1.880 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1COCCO1 1286460462 NODJQORBAYULCB-QGZVFWFLSA-N 401.423 1.355 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCCCC2=O)CC1 1286482618 USHUPSOTRIMCRK-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2nccnc2C)CC1 1286494744 QMNWAUACIWSZDX-UHFFFAOYSA-N 407.522 1.538 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286500371 WLFBJNLIFRDKFB-QZTJIDSGSA-N 406.515 1.898 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286788522 XZACVRYQRPJHHG-QGZVFWFLSA-N 412.494 1.080 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1286821590 PUGXPKLFFZGCLC-CYBMUJFWSA-N 410.462 1.989 30 10 HDEE C#CCN(CC(=O)NC[C@H](Cc1ccc(O)cc1)C(=O)OC)C(=O)OC(C)(C)C 1292985318 KBDRFWJAFFEKKK-INIZCTEOSA-N 404.463 1.710 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCCNS(=O)(=O)c2ccc(C)c(C)c2)CC1 1297800365 BOZCSGDPJQFYQT-UHFFFAOYSA-N 421.519 1.667 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)C1 1298877027 AAUACNHDRJVFDZ-QFIPXVFZSA-N 418.505 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300546967 AVRWATUODXZKDH-INIZCTEOSA-N 413.444 1.541 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)OC 1300560489 ACYOTVOELFFMMZ-MRXNPFEDSA-N 400.504 1.846 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(S(C)(=O)=O)cc1 1300594987 DZYZZVWKVNOXEN-UHFFFAOYSA-N 400.504 1.729 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCO1 1300657055 FHHHAPYUOZJHNC-QGZVFWFLSA-N 418.519 1.614 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1300705968 FUZMGQGHTJYTKV-UHFFFAOYSA-N 400.571 1.221 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1300885665 ROUYHBPKWVNSCR-ULQDDVLXSA-N 410.540 1.388 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)N2CCOCC2)CC1 1301091194 BHSBAXPIZBHWHS-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301249666 WFRDDJITAARIFN-SFHVURJKSA-N 415.542 1.430 30 10 HDEE COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1301460323 BRSKPXGNMSGRRS-INIZCTEOSA-N 404.515 1.742 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(CC(=O)OC)cc2)c1 1301465784 VJLGYRXUGUPDLG-UHFFFAOYSA-N 402.472 1.796 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCSC1 1301964449 AFOFVXIGBRUENN-XIKOKIGWSA-N 404.496 1.470 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1302095166 DHOGJPKTPONVHJ-YZLZLFLDSA-N 421.498 1.069 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H]1O 1302841529 HEMIRCFTBQBSMS-PBHICJAKSA-N 408.466 1.113 30 10 HDEE CN(CCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccn1 1302974346 BOEMVCWWKNYWQQ-UHFFFAOYSA-N 401.492 1.153 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)CCOC1 1303506917 RYAOZOMYSCCCHJ-MBOZVWFJSA-N 403.483 1.393 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1307646149 DOCYUHKYUFPTOI-SJORKVTESA-N 406.527 1.705 30 10 HDEE C[C@@H](NC(=O)[C@@H](C)N(C)Cc1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 1308113370 MTYUAKYWJXBDCL-CHWSQXEVSA-N 406.533 1.965 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1310581597 UUKNULUJKQOUBV-YOEHRIQHSA-N 409.508 1.643 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCC2(C#N)CCCCC2)C1 1313027501 SRGSJTUWBLAQPF-INIZCTEOSA-N 400.545 1.542 30 10 HDEE CCN1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1313902488 YXVSYTDLXZHTRF-IRXDYDNUSA-N 401.540 1.847 30 10 HDEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314493958 NBGDWRNDPIOYKL-SZMVWBNQSA-N 404.515 1.215 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CCO1 1315006450 DNVZUYIDFUTOJX-SJLPKXTDSA-N 410.478 1.195 30 10 HDEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1315875087 HEWDNJCQWRRFPA-UHFFFAOYSA-N 413.482 1.713 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)C1 1316526646 AFNKMYVHLBOADI-SPYBWZPUSA-N 406.462 1.114 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cccc4cccnc34)CC2=O)cc1 1318559140 ZHKJENNYZSKMKO-INIZCTEOSA-N 420.450 1.964 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)C1 1320161430 YWKPKZLUZMCHNE-ZDUSSCGKSA-N 408.567 1.196 30 10 HDEE C#CCN1CCC(C(=O)NC[C@@H](CCCC)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1334844023 AOGLRNGXAYTPML-YQPXSLGVSA-N 401.551 1.546 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 1357282713 LQYOPBRKYBMLFN-UHFFFAOYSA-N 408.462 1.609 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1358884246 MCVYHGMUULGSDL-AWEZNQCLSA-N 413.507 1.093 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@]2(O)CCN(C)C2)c1 1358902469 PAAPZMRSNCKBBT-HSZRJFAPSA-N 422.533 1.668 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1359028887 IDVKSDUXWOEHNA-RTBURBONSA-N 410.570 1.949 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OC)C1 1359099995 VSDGPLWTWHJMNY-TWMKSMIVSA-N 410.540 1.387 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359226602 IUSUIWAFEZJUGJ-HZPDHXFCSA-N 404.471 1.644 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359229051 WTZZPCJFXHCWGW-QGZVFWFLSA-N 414.485 1.815 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1359281279 ULFYNUKQHARLKD-KRWDZBQOSA-N 422.493 1.497 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(OC)c(O)c1 1359302560 LLJFRFCRHCGWFX-UHFFFAOYSA-N 422.489 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@H](C)CC(N)=O 1359330240 LQEPWVZWIYAYDA-OAHLLOKOSA-N 405.524 1.554 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)C)C1 1359331200 QJQDOUIHTWJRGO-INIZCTEOSA-N 406.512 1.197 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359340847 BXHWKKVUXUCTGT-UHFFFAOYSA-N 410.507 1.311 30 10 HDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1444336832 HJMXEHKTEMTQBE-UHFFFAOYSA-N 404.319 1.439 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](NC(C)=O)C1 1451816774 GXLHUFLQVKVSLC-HOCLYGCPSA-N 406.508 1.021 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)C1 1457261131 FMKKPTNJSCASTD-DOMZBBRYSA-N 408.296 1.206 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCOCC1 1460804133 ZKJZOHFFCYSVGF-UHFFFAOYSA-N 419.547 1.962 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(N)(=O)=O)c2)c1 1464097558 MTBWTFHMLFZAQL-UHFFFAOYSA-N 406.485 1.061 30 10 HDEE C#C[C@H](NC(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CCOCC1 1465804262 JJHGYDJSLKTLKX-RKVPGOIHSA-N 403.483 1.069 30 10 HDEE COCC#CC(=O)N1CCN([C@@H](C(=O)NCc2ccccc2)c2ccccc2)CC1 1467850895 CGRZKPJEZQRDHB-HSZRJFAPSA-N 405.498 1.838 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 1471941884 CZXKKNQFZCJNRT-INIZCTEOSA-N 407.473 1.647 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473824395 HVGXJWWUWMLQCR-PZROIBLQSA-N 404.517 1.306 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1475546448 OFXLSLHAKRUXFY-LBPRGKRZSA-N 404.282 1.942 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 1476041834 PRESXNHTHIHXQD-UHFFFAOYSA-N 413.522 1.739 30 10 HDEE COCc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1504642595 HZVGCCNYDJMAIS-MAUKXSAKSA-N 417.535 1.971 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CCO1 1505322014 HAJXYXYMCGGQCX-ZFWWWQNUSA-N 404.858 1.638 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N(CCO)Cc1ccccc1 1505351342 PGWKGJOUBADPGF-VZCXRCSSSA-N 422.489 1.681 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NC1CCCCC1 1507601005 CCADBFJHEIQFID-OAQYLSRUSA-N 403.527 1.837 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507634269 YGEUAOPBNLLOQY-LPHOPBHVSA-N 424.592 1.430 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1507665893 WFTIZFGQCGQOCE-FQEVSTJZSA-N 420.565 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1507709174 QWXKQPVZOWTDTR-UHFFFAOYSA-N 410.547 1.952 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1507727902 OBHNLOLOHBOHCB-IBGZPJMESA-N 419.595 1.591 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1507936802 GYNJMZOOAVQJIR-UWJYYQICSA-N 418.542 1.843 30 10 HDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507960257 QYDWEJQODRICQI-OAHLLOKOSA-N 417.901 1.800 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1509953473 MSXLTPOLZWCPJX-WDEREUQCSA-N 406.384 1.885 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C(=O)NC 1516804536 BKKQZDIBIFWTQQ-AWEZNQCLSA-N 418.523 1.070 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1516859593 MTUAILMGKKEAEC-AJXXGZDZSA-N 415.475 1.699 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 1519627971 IFEYZGKHFGOQEL-HNAYVOBHSA-N 407.536 1.902 30 10 HDEE Cn1ncc(Br)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1525126525 BWPBSPGJWUZKFZ-NSHDSACASA-N 412.288 1.697 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 1532903287 HCKBEPSLKPGEIK-YJBOKZPZSA-N 410.430 1.619 30 10 HDEE COc1ccccc1-c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1536180029 PCAZQXNZIBGKNA-SGTLLEGYSA-N 403.485 1.829 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1Cc2ccccc2C1=O 1538539771 LVOALMBNIVAVJY-KNBMTAEXSA-N 401.488 1.064 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1538833346 QASSFRTVZADGDX-HNNXBMFYSA-N 417.491 1.665 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1538973813 PIHIXSUCTCXHOK-ZDUSSCGKSA-N 410.316 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1539012412 GAHBXZTYIRKMBM-XMTFNYHQSA-N 407.584 1.759 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@H]1C 1539239898 SQBJUHITKGBKOI-SQNIBIBYSA-N 421.567 1.556 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1539284477 OWTWTBJORDJWNK-UHFFFAOYSA-N 424.549 1.626 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539363667 UCYWSPRZRAWKOV-MRXNPFEDSA-N 402.524 1.390 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1539632434 RUXZVJOOXDBVDP-KURKYZTESA-N 418.542 1.962 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1539639926 CVCOCKUQISRXJM-JJDSTIRJSA-N 419.526 1.223 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1539734769 DWYMODACXFSIAN-UHFFFAOYSA-N 409.512 1.521 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1541111475 LSAVRURBONHMAF-OAHLLOKOSA-N 420.477 1.857 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1541112481 HWJWNLXNMYRHKM-CXAGYDPISA-N 407.478 1.159 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CO)c1 1541907758 DLKBIILJBQBGLC-ZIAGYGMSSA-N 406.512 1.167 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1555943514 QGQDJYAKEWBZAA-ZTFGCOKTSA-N 415.519 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](CO)[C@@H](O)C1 1556178478 UCYYLRQNJTZDJM-NZSAHSFTSA-N 415.490 1.594 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](CO)[C@@H](O)C1 1556178480 UCYYLRQNJTZDJM-YTQUADARSA-N 415.490 1.594 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1556375850 UJDOEMJHVUNTCE-UZLBHIALSA-N 408.426 1.598 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C[C@@H]1[C@H]1CCCO1 1569675787 JKXWQSBOTLIAPX-ZJIFWQFVSA-N 411.499 1.678 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3C[C@H]4CCCCN4C3=O)C2=O)cc1 1584376977 ZIOBKUOODFDOSO-ZACQAIPSSA-N 409.446 1.033 30 10 HDEE C=CCC1(NC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)CCOCC1 1586900969 PALNMOCUIQVARB-UHFFFAOYSA-N 421.563 1.688 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](OCCN3CCOCC3)C2)c1Br 1588199639 QAPMEQCRVSKEPJ-HNNXBMFYSA-N 408.296 1.884 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1588266672 UHURXHJJAVCXNP-CYBMUJFWSA-N 410.569 1.976 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1OCCC1(C)C 1588629069 WEWQGPWMPFLPQR-KRWDZBQOSA-N 415.494 1.907 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCCNS(=O)(=O)CC)CC1 1588811244 DGJSTABCKMYGKL-UHFFFAOYSA-N 408.572 1.020 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1594194900 YALYDYZVPUQWLF-OCCSQVGLSA-N 419.498 1.715 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1595465871 AOMAWIOCGIDIFX-UHFFFAOYSA-N 414.485 1.805 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)CC1 1595516792 IYCILCQETVPHJM-UHFFFAOYSA-N 407.522 1.897 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](COCC)C1 1595784521 HYMKNNKGRFAWFW-MRXNPFEDSA-N 422.555 1.532 30 10 HDEE C[C@H](NC(=O)c1cccs1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648972 PLXFFOXQXSIVKE-LBPRGKRZSA-N 401.444 1.771 30 10 HDEE C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1617981227 ZYLXROLSPGAWDR-JQHSSLGASA-N 423.535 1.276 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1619733201 AQRLNGWYWVDMOH-OAHLLOKOSA-N 420.420 1.050 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CCOCC1 1620419806 JFYXSOSVECZZKS-RTBURBONSA-N 407.536 1.964 30 10 HDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1625165767 VVACPWFUQPKXGU-GFCCVEGCSA-N 405.303 1.504 30 10 HDEE Cc1nc2ccc(Br)cn2c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136673 MEYLGPNVXDWGSU-MEDUHNTESA-N 423.292 1.416 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)C2(C#N)CCSCC2)c1 1628375374 JYMPXTZPFAQRFM-LBPRGKRZSA-N 410.521 1.075 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 1628480860 GSTWVPMFTLLQKZ-RYUDHWBXSA-N 412.961 1.968 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NCCNc2ccc(C#N)cn2)N(C(=O)OCc2ccccc2)C1 1629662919 ZSFSBDCVADJJAG-RTBURBONSA-N 423.473 1.907 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCCN3CC(F)F)C2=O)cc1 1632967699 XNMVRPWMDIEQNH-CVEARBPZSA-N 419.432 1.609 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2Cc3ccccc3NC2=O)s1 1635321358 VJUJDKXEXQFWQB-HNNXBMFYSA-N 405.501 1.435 30 10 HDEE CC(C)(C)n1ncc(C(=O)N[C@@H]2CCCN(O)C2=O)c1I 1636545931 CEZYOZHNMZOAST-SECBINFHSA-N 406.224 1.353 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 1636902581 JQPVRFRPBKRXHJ-STQMWFEESA-N 414.886 1.935 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4ccc(Br)cc4)CC3)C2)c(=O)nc1O 1637513754 OBJKFAXSQPNWRU-UHFFFAOYSA-N 415.247 1.698 30 10 HDEE COc1ccc([C@H](NC(=O)NCC#CCO)c2cccc(S(C)(=O)=O)c2)cc1 1637898570 GVOIKVXPOUFGMO-IBGZPJMESA-N 402.472 1.483 30 10 HDEE C=CCC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1640863716 LQMQUJOZUALZNH-UONOGXRCSA-N 400.522 1.915 30 10 HDEE O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@@H]1CCCN(O)C1=O 1641524422 CUCLPOJPLUSPLV-CYBMUJFWSA-N 423.413 1.260 30 10 HDEE COC1(OC)CCOC[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1641889459 OYXNTPIPGVTSQY-QNBXZPKWSA-N 423.510 1.667 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@](C#N)(c2ccccn2)C1 1644101582 FUZSTONCDKIBBO-QRWLVFNGSA-N 413.503 1.613 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)CC4(C#N)CC4)C3)[C@@H]2C1 1644244853 HHKPPOSGISKOGY-ZNMIVQPWSA-N 404.467 1.721 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3ccc(Br)c(F)c3C2)c(=O)nc1O 1644906301 CADFLLYGRPYHTN-UHFFFAOYSA-N 407.199 1.307 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C3CCOCC3)CC2)c1 1645199208 QNKQNUIFLUPAFA-UHFFFAOYSA-N 409.483 1.496 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645269764 DWPOFHQWIMRBFZ-DCGLDWPTSA-N 417.915 1.419 30 10 HDEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H]1CCC[C@H](C(F)(F)F)N1 1645997820 PKVMQRLBTAXYBD-BCUIYNNISA-N 407.458 1.482 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@]1(c2ccccc2)CCCO1)c1cc[nH]n1 1652389098 IVOJDXUEYGEEJJ-HXUWFJFHSA-N 400.435 1.516 30 10 HDEE C[C@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)CCN1C(=O)c1cscn1 1653808633 FAPUZNBKOFCGCY-DOTOQJQBSA-N 400.504 1.795 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(CC(=O)N3CCSCC3)cc2)nn1 1658913141 ROZLRVHKMNEYDF-UHFFFAOYSA-N 400.508 1.904 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1662631651 LUPUGPSOAUAYKW-UFBFGSQYSA-N 407.261 1.557 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)c(C#N)cn1CCOC 1670021447 AAYAJMZZODBLPF-IYBDPMFKSA-N 419.482 1.168 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)NCC#C[C@@H]3CCCCO3)C2=O)c(OC)c1 1672547702 GIYSUKKUWXKHHW-PKOBYXMFSA-N 415.490 1.676 30 10 HDEE COc1cc(NC(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)c(F)cc1C#N 1673761823 CYTMURFZGZERQN-GFCCVEGCSA-N 410.413 1.886 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)C1 1676514299 VYEUMLNDOCCDNX-IBGZPJMESA-N 418.563 1.758 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1689884553 ZOMGEMFQYXYSML-KRWDZBQOSA-N 416.551 1.909 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1689943549 VBOHLLOFDRTQLN-IBGZPJMESA-N 410.522 1.387 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689986132 JFURPMOBYGGTJG-MOPGFXCFSA-N 412.515 1.917 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689986911 ZLOTWCULFRTDQG-KXBFYZLASA-N 405.524 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1690008340 FIWFDTVTUIQRRB-KRWDZBQOSA-N 424.415 1.418 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCS(=O)(=O)N(C)C 1690092485 KNWYOUFDXSCZIL-UHFFFAOYSA-N 419.526 1.901 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC(C)CC1 1690102390 KCAWSTMRCHNYRL-MSOLQXFVSA-N 402.543 1.436 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690186888 WWEBGBGMPMMYRH-HZPDHXFCSA-N 404.540 1.536 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCS(=O)(=O)C1 1690518424 JJMZMZLWDABKRT-AWEZNQCLSA-N 424.548 1.406 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1690526973 HHMIWIPPCLJBCK-QAPCUYQASA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1690669524 HVGNANZJBMOYKD-HNNXBMFYSA-N 415.498 1.932 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690972940 OFZDXVPLYBHGTH-OAHLLOKOSA-N 409.494 1.400 30 10 HDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C1CC1 1692811192 DUYVONCSCYDXKW-OAQYLSRUSA-N 410.478 1.216 30 10 HDEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C[C@@H](C)O1 1693582364 CICNUMOOEGHGFC-ALXJQNPVSA-N 424.505 1.869 30 10 HDEE CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1695029577 IFQUDDVYTLIHOQ-MOPGFXCFSA-N 401.446 1.918 30 10 HDEE COCCN(C)CCn1c(C)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1698026719 HEUQHIKTFOSJPE-UHFFFAOYSA-N 411.554 1.749 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1705541119 AFRHXRLXZDDIAH-HNNXBMFYSA-N 404.540 1.068 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)C(C)C)CC1 1705647640 JKHMQDPSSIRSHL-UHFFFAOYSA-N 424.553 1.431 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1705657269 YVVSQZJRIDDINN-UHFFFAOYSA-N 414.535 1.782 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](c2ccco2)C1 1705908366 AGWPZLNSRPPLOM-GJYPPUQNSA-N 415.494 1.891 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCO 1706747426 MLAXTBFAHIGAJX-MAUKXSAKSA-N 401.467 1.928 30 10 HDEE Cc1ccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1707512671 UPONVDWBFCJBGM-MRCUWXFGSA-N 421.505 1.748 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1709755156 ASYGFXMQHKBISI-QGZVFWFLSA-N 418.523 1.657 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722359189 IYHBQBVLOVGDQH-HOCLYGCPSA-N 406.508 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCOC1 1722375687 FWJQALWESAFISA-IBGZPJMESA-N 415.291 1.932 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722406570 RNUIGPVAWCAKNE-INIZCTEOSA-N 417.535 1.695 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@@](=O)CC 1722424030 YXFXHEMORPSUPK-NDEPHWFRSA-N 404.492 1.528 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)COCC2 1722425217 RCUNMOGDRDKSST-UHFFFAOYSA-N 406.490 1.886 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2ncn(C)n2)CC1 1722430707 IHWGIAMDGCFHDP-IBGZPJMESA-N 404.522 1.752 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722438352 WNEKRIPPTYOYCH-SFHVURJKSA-N 416.570 1.117 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCSCC2)CC1 1722440246 GUVOZLGLQRYCFH-UHFFFAOYSA-N 424.618 1.867 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)COC(=O)N2 1722461165 OZGWTHHRLNXMJY-UHFFFAOYSA-N 412.519 1.709 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1722629176 HHXNXIGWKCEGHY-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722693320 JZXUAGHXXYUXML-FQEVSTJZSA-N 416.913 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)C1 1722714979 QJVQBUWBCZYEFU-CABCVRRESA-N 414.514 1.405 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)C1 1722714980 QJVQBUWBCZYEFU-GJZGRUSLSA-N 414.514 1.405 30 10 HDEE COCCn1cc(Cn2c(-c3ccccc3C)nnc2N2CCO[C@@H](C#N)C2)cn1 1730770969 GLHDNYCVNKLFPU-SFHVURJKSA-N 407.478 1.874 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740573348 BNANGSOLSLLTDX-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCCOC1 1740607123 FFPXHVBTOKLBGA-HNNXBMFYSA-N 402.524 1.734 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1740609861 PFFGKBFXIIZKRU-IAGOWNOFSA-N 419.551 1.926 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740624181 DGMZVZKGTGTCQN-FQEVSTJZSA-N 421.526 1.939 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740637410 ARVLJAWLOZZVDP-FCHUYYIVSA-N 419.529 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCOC[C@H]1C 1740641850 PVLMKIGXTUYWSQ-QGZVFWFLSA-N 413.472 1.941 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1740661788 JRWUHTJLKYKCOW-GFCCVEGCSA-N 408.553 1.730 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740747677 RMLSGAWAVZXCPB-QWHCGFSZSA-N 423.315 1.024 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC)C1CC1 1740910281 BPSLSDSDYPBNIB-UHFFFAOYSA-N 400.483 1.933 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@@](=O)CC)C1 1740979847 LRJVSFYRUJXJAU-MMEWPQADSA-N 421.523 1.556 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccccc3)n2CCS(C)(=O)=O)C1 1740984318 ZSKKLPPCZXMRGN-GOSISDBHSA-N 404.536 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1740986578 AVLZAFUPDJYPHG-UHFFFAOYSA-N 419.555 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(CC)Cc1cnn(C)c1 1740995644 SJLNNQLXQARAIH-MRXNPFEDSA-N 408.528 1.490 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C[C@@H](C)O1 1743254260 JFIKURJMAKMZRZ-CHWSQXEVSA-N 404.421 1.812 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1743466378 NZXDQEDRFJTEFD-ZJBJCVSYSA-N 424.505 1.605 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1746466982 YKMQMJYGECEWHG-RBUKOAKNSA-N 417.558 1.276 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1748719483 ZKDJZRGKZJESFH-WNRNVDISSA-N 406.552 1.702 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1748826743 ZXKFDRQDCCASCM-CYBMUJFWSA-N 407.446 1.288 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1([S@](C)=O)CC1 1748956533 GGUNFKRAIWTQDQ-NDEPHWFRSA-N 402.520 1.951 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2cnnn2C)CC1 1748999217 MERBUSDTWILWLK-UHFFFAOYSA-N 406.494 1.098 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749038601 LOJUVIDHUFIOLE-MRXNPFEDSA-N 420.583 1.779 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1749131453 SIRFSCNMDRSDCM-BBWFWOEESA-N 404.515 1.225 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(N)=O)C1 1749136001 KEFJBOCXGKEYTN-FCEWJHQRSA-N 416.526 1.083 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 1749304289 YXNYGVJUTLKTEL-QGZVFWFLSA-N 421.523 1.717 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1749457148 GRVDSBJFWDLASX-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749643146 IZAWVLKAOLRORB-UGKGYDQZSA-N 418.586 1.721 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1749652199 JPDBMPGDBPHOCV-UXHICEINSA-N 424.549 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1749738108 FXQAJMFTZKILQU-INIZCTEOSA-N 409.556 1.326 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1C(C)(C)C 1749739679 JIWICMWOEXFXMJ-MRXNPFEDSA-N 423.583 1.768 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(SC)c1 1750005652 CNYMYTQUNYKQSF-HOCLYGCPSA-N 418.523 1.896 30 10 HDEE CSC1(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CCN(C)CC1 1750257454 SPSCGQXGNSUROK-UHFFFAOYSA-N 413.551 1.949 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1760115930 CXJPILLKRNRERU-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1760117683 SAFIALNGIWHSAK-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760158528 NUYKTVRVOLPRAJ-QGZVFWFLSA-N 424.505 1.835 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1760224916 CSSSOGYNIZULFA-NWDGAFQWSA-N 411.450 1.315 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(OC)cc2)CC1 1760261045 JMWMCAFDVJFFPW-UHFFFAOYSA-N 422.533 1.407 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760279025 OTCAGWGZGNMVQA-CABCVRRESA-N 407.565 1.964 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCS(C)(=O)=O 1760290648 LWVKMMUBCKTOPW-UXHICEINSA-N 424.567 1.746 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760344933 UGSARDIIXILTLN-HNNXBMFYSA-N 405.528 1.419 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760425550 PNIPISBROORRFF-RBUKOAKNSA-N 415.586 1.802 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760428062 OFRSIASQLPZAQT-OAHLLOKOSA-N 402.499 1.659 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760524003 MSTPTVSEGULQJM-MGPQQGTHSA-N 417.432 1.630 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760528608 HSWBGHCRYAUTBP-HXUWFJFHSA-N 407.515 1.236 30 10 HDEE CCc1nnc(N2CC[C@@H]3OCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763023082 WTZFVKWSEOFUMN-YEHYNYCHSA-N 400.483 1.372 30 10 HDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1=O 1766141301 MQJLFHMWFXRHST-GOSISDBHSA-N 421.505 1.544 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1766265392 FQWGLFOPWKLYAJ-AWEZNQCLSA-N 402.430 1.251 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1766995014 RZHKFVDKHYPNIX-ZMSDIMECSA-N 419.482 1.883 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCC1(O)CCOCC1 1767061782 DVORHVSKARFBQB-GOSISDBHSA-N 424.505 1.669 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CC#N 1770085841 FEDGOFHDBNEEBG-RDJZCZTQSA-N 400.483 1.989 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1770756535 ISBOUUIJVVAURQ-MRXNPFEDSA-N 408.528 1.295 30 10 HDEE COCC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1770924503 TYHZLNQSCMXEAT-ZPHPHTNESA-N 400.483 1.545 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCOC2)CCO1 1771539247 ROQBEEKZDSNXKM-RBUKOAKNSA-N 412.494 1.436 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1772543388 JVYARJMKUMWCDW-UHFFFAOYSA-N 409.487 1.654 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1772882506 BMUPLBONLZHJLY-IRXDYDNUSA-N 418.542 1.904 30 10 HDEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CC1 1848708111 CIUJHDDYSOHJPT-UHFFFAOYSA-N 416.503 1.344 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)[C@H]1CCN(C)C1=O 1848780971 ZFXZONXBBAQHBJ-ZDUSSCGKSA-N 420.318 1.517 30 10 HDEE N#Cc1cc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)ccn1 1850683760 NJUYURYUKXAPPZ-UHFFFAOYSA-N 419.420 1.708 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CO2)nc1 1851682730 JJOYBSZMARSXMP-QZTJIDSGSA-N 424.388 1.240 30 10 HDEE C[C@H](C(=O)N1CCN(CCC#N)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1851700312 VZKLXOVENSZAKS-GFCCVEGCSA-N 404.414 1.320 30 10 HDEE CCN1CCN(CC(=O)Nc2cc(S(=O)(=O)NCCC#N)ccc2Cl)CC1 1852388761 ZZTXMHJLIYVMHA-UHFFFAOYSA-N 413.931 1.108 30 10 HDEE N#Cc1cnn(-c2ccc(Cl)cn2)c1NC(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1852773122 SDIJBEVQJMOTEH-LBPRGKRZSA-N 414.853 1.758 30 10 HDEE CC(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852858784 GRUAYZAVLOVJRO-SFHVURJKSA-N 412.490 1.373 30 10 HDEE CO[C@H](C)C(=NOCCN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853488872 HLOPLVOPHSKGIS-CQSZACIVSA-N 424.523 1.310 30 10 HDEE Cn1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C3(CCCC3)C2=O)n1 1853641971 PTYJGMHXMTYNOH-UHFFFAOYSA-N 407.474 1.968 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(N(C)C)ccn2)C1=O 1854059433 KNNPPAVDUPSSBG-RTBURBONSA-N 413.522 1.388 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cn(C)nc2C(F)F)C1=O 1854097726 CSJUSOMBVHSDAV-CABCVRRESA-N 423.464 1.598 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2c(C)nn(C)c2C)C1=O 1854263487 VBJDATOVPQHADX-IRXDYDNUSA-N 401.511 1.277 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854326541 BEZAKJKBDDHVMJ-QGZVFWFLSA-N 408.462 1.198 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854338963 SFAZCCYVOHWOLP-HOCLYGCPSA-N 412.446 1.131 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCCn2ccccc2=O)CCN1Cc1ccc(C#N)cc1F 1855038566 RXJCSSDNXNDUES-INIZCTEOSA-N 410.449 1.899 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCCC[C@H](N2CCC(C#N)CC2)C1=O 1855606468 RQLQSKGVJUDVMF-KRWDZBQOSA-N 403.504 1.847 30 10 HDEE Cn1ccnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855749614 VOEDWSTUPWEXPJ-INIZCTEOSA-N 406.490 1.945 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2C(=O)CN(CCC#N)c3ccccc32)cc1 1856137781 NMKUSEDHVBGQHR-UHFFFAOYSA-N 412.471 1.844 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C[C@H]1CCCCO1 1856891225 RVHNQRNQACCSMH-MRXNPFEDSA-N 419.503 1.986 30 10 HDEE CCC[C@H](F)C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857397781 PZLGOZPUGKQUJU-WMZOPIPTSA-N 401.486 1.979 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)CC1=O 1857421779 QVFZNMGVGYDVAX-KRWDZBQOSA-N 412.465 1.681 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N(C)c2ccccc2C#N)cc1 1858018629 GICHVISJQQFBOL-UHFFFAOYSA-N 400.460 1.848 30 10 HDEE COc1cc2cc(C#N)c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)nc2cc1OC 1858202956 BZBQCVOSIOJSAZ-ZDUSSCGKSA-N 421.500 1.519 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)n3ccccc23)cc1 1858242110 PZHAJBNARXHTRN-UHFFFAOYSA-N 402.414 1.372 30 10 HDEE CN1CCC[C@@H](C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)C1 1859093151 IEUDUEAPSMAHME-CQSZACIVSA-N 409.450 1.300 30 10 HDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873595074 NZBGZFMKTWPZLQ-KBPBESRZSA-N 400.483 1.097 30 10 HDEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)cc1O 1874500969 JINNXRJXGBYZBI-DNTJNYDQSA-N 417.447 1.719 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882611325 ZHRVEBNOVXTQHO-SFNQZPIRSA-N 424.519 1.929 30 10 HDEE C=CCN(CCC(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885928722 OOPOLCSSLVIPEE-CQSZACIVSA-N 401.504 1.801 30 10 HDEE O=C(NCC#CCN1CCCCCC1)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2 1888961066 IYQZNMQTMZEFLY-QGZVFWFLSA-N 418.563 1.341 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])c(F)c3)CC2)CC1 1891176154 FDMJHKJADFPEEZ-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE C#CCOC1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(F)c3)cc2)C1 1891997853 OZKPQANMCOUYCQ-UHFFFAOYSA-N 402.447 1.778 30 10 HDEE CN(C(=O)c1cc(Br)ccc1[N+](=O)[O-])C1CN(c2nccnc2C#N)C1 1892116744 CTOBAMHRORUBSD-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)C1 2086045277 VJGXYSWYWQTTKH-SDDULXJBSA-N 404.492 1.514 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H]2C(=O)N[C@@H](CS)C(=O)O)CC1 2180244656 RMCCHOJJBNOCAA-UONOGXRCSA-N 401.529 1.350 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186628479 QCGHZLMZPFEGRO-WDEREUQCSA-N 403.331 1.589 30 10 HDEE CC1(C)OB(C=C2CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2208834839 PJUGNFDZOAPILR-AWEZNQCLSA-N 401.359 1.697 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2221674186 IIWPLIFIZMTQJC-GJZGRUSLSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243395599 ZJFOAMNRCUMQHO-HAQNSBGRSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243754418 DBEXUEBWGIBGDW-ZDUSSCGKSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245254499 RLZZLXHNNRVBIU-TUPIDYKKSA-N 409.336 1.889 30 10 HDEE C[C@H](CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247779055 MTWVVFQGRXVADJ-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NCCC1(O)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247805234 NOSARSMFBKWPCP-UHFFFAOYSA-N 422.331 1.890 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248442349 RZEWYSJAFJOKGN-CQSZACIVSA-N 421.303 1.595 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258184705 GVHDMRSJMMMIND-KRWDZBQOSA-N 408.476 1.431 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371810 FZGUJQJUEWZJPY-APXPCNQMSA-N 407.388 1.435 30 10 HDEE CNC(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267706907 HZDNGNNPRCBNIZ-UHFFFAOYSA-N 408.738 1.115 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCN3CCOCC3)sc2Cl)OC1(C)C 2281967574 YZYAZJKFAVQQHS-UHFFFAOYSA-N 400.737 1.763 30 10 HDEE Cc1cc(S(=O)(=O)NCCCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282317938 BHKRMZHWGJNHBU-UHFFFAOYSA-N 423.387 1.069 30 10 HDEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341491 SSYFKVWPSPUNME-LLVKDONJSA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCCS(N)(=O)=O)cc2Cl)OC1(C)C 2282401380 QJZMHGQJMHUORH-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE COCC1(O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282844466 DHTRLUFZQCMXIN-UHFFFAOYSA-N 423.749 1.083 30 10 HDEE C[C@H]1CNC[C@@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854333 QHGONIYRDPTREW-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2282858600 ZLUYCCLLVWCTPZ-OAHLLOKOSA-N 423.340 1.759 30 10 HDEE CN[C@H](C)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869316 ARNGRJXKPSCVKR-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@H](F)[C@H](O)C2)OC1(C)C 2282876041 XIGKNPXRGCFWLP-QWHCGFSZSA-N 405.684 1.343 30 10 HDEE C[C@H]1CC[C@@H](CN)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881758 BTNJSHXONONRPJ-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2CC[C@@H](N)C2)OC1(C)C 2282883706 DYLYUVQVFGTNOH-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(O)CSC2)c1B1OC(C)(C)C(C)(C)O1 2282906522 CNBPUTIESOLTCH-UHFFFAOYSA-N 419.399 1.420 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NS(=O)(=O)C2CC2)OC1(C)C 2284395852 QDFIDZRHMDZXBV-UHFFFAOYSA-N 421.733 1.410 30 10 HDEE CC(C)CN(CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284415656 PPTAZTULNUBMDW-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@H](CC(=O)O)C2)OC1(C)C 2284418145 UQWKUOWIUDAURN-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](CCO)COCc3ccccc3)[nH]n2)OC1(C)C 2303625555 GYLKHOMBXHORON-INIZCTEOSA-N 415.299 1.407 30 10 HDEE CSc1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2325710998 WNGGEGMTPWXJFK-UHFFFAOYSA-N 404.513 1.997 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2329045503 PXDQFKZBKPJRMH-AWEZNQCLSA-N 419.507 1.770 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2342072918 XNZRGPUYDBXPKR-GOSISDBHSA-N 420.531 1.319 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2363924387 KYOYKFYNQHBJBC-GDBMZVCRSA-N 413.565 1.583 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)CCOC1 2367792755 RMTAVFSNGHEBGX-KXBFYZLASA-N 400.541 1.619 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2367803315 JXHWEPIWCGXSJY-JKSUJKDBSA-N 401.573 1.390 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806607 LUUHAIRYGDDYGM-HNAYVOBHSA-N 400.541 1.437 30 10 HDEE COc1ccccc1NCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 7115841 KWTDLVRJCBXLJC-UHFFFAOYSA-N 414.487 1.512 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C(N)=O)CCCC2)n1c(N)nnc1SCC#N 40173479 CXOKWYDSHFISNP-QMMMGPOBSA-N 405.509 1.715 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 53310085 CJUTYTYZRXMOBS-UHFFFAOYSA-N 402.495 1.938 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 410076317 XVAGDMBGVNGOIP-ZDUSSCGKSA-N 407.492 1.638 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410425994 FGZXKNZFHIGAIG-UWVGGRQHSA-N 421.397 1.312 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2ncc(Br)cn2)CC1 432998296 HINGUMWFNBAHAW-ZFWWWQNUSA-N 409.332 1.582 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)C[C@@H](C)O1 433496468 KTIUGQJMPQQQGL-ZIAGYGMSSA-N 402.476 1.947 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 434069253 VXLCNRZMOZPWPT-ZIAGYGMSSA-N 400.298 1.249 30 10 HDEE COc1cc(N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)ncn1 461741009 NYNZJCZPLLNWAE-UHFFFAOYSA-N 404.434 1.087 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(OCCCC#N)c1 477276299 ATRQEHMCYOZLAV-FQEVSTJZSA-N 414.462 1.923 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCCN(CCC(F)(F)F)C(=O)c1cc(C#N)cn1C 479573083 AQPGOGIULMDDGE-UHFFFAOYSA-N 420.395 1.932 30 10 HDEE CC1(C#N)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 482650828 ZZYPVGNQRYGMHA-AWEZNQCLSA-N 412.309 1.974 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc3nc(O)oc23)CC1 502265716 BYMZQYQPAYCLNO-UHFFFAOYSA-N 412.427 1.552 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)n2c1 505577352 URVIBOREDCJTFV-UHFFFAOYSA-N 417.441 1.991 30 10 HDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)Cc1ccc(C#N)cc1F)C2 511412194 POSIZMIZRZEQMP-IRXDYDNUSA-N 408.499 1.200 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](C#N)c2ccc(F)cc2)c1 515357586 ZCWVNCBCDYTXAC-QGZVFWFLSA-N 420.466 1.399 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 523814918 PVJAMZGVTVEGIU-PZJWPPBQSA-N 419.485 1.830 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)CC2)o1 530309231 IGMUAAOKEWOYKX-MCMNJHBDSA-N 408.502 1.696 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 539503399 DYYREJLKKITKAS-LBPRGKRZSA-N 406.468 1.389 30 10 HDEE CCCCCC(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540340355 GILIGLGKSQWMGF-FQEVSTJZSA-N 405.587 1.840 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CC 540696520 RLWCKCUQZWLWQE-UHFFFAOYSA-N 400.504 1.061 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 546919985 FKXBYDCPAXMQHE-SIFCLUCFSA-N 407.536 1.919 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)cc3)CC2)c(F)c1 548563987 GOTZSYBSRJDAJH-UHFFFAOYSA-N 403.435 1.902 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccn(Cc2ccccc2)n1 551785584 AWVSWRYVIIIQJH-MRXNPFEDSA-N 423.498 1.786 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@H](CC)C1 555244952 VDOOMDYFMCXWIM-LSDHHAIUSA-N 417.526 1.922 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cc2ccc(C#N)cc2)CC3)CC1 555522618 XBTDHRZCTKRGSW-IBGZPJMESA-N 420.517 1.064 30 10 HDEE CCOC(=O)C[C@H](O)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 555559878 YRWDICMXDQARMM-CVEARBPZSA-N 424.295 1.472 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C[C@H]2CCCO2)cc1 578673063 GPLFCADPJVFRGN-SJLPKXTDSA-N 423.477 1.122 30 10 HDEE CN(C)c1nc(CNS(=O)(=O)c2ccccc2C#N)nc(N2CCCCC2)n1 585296437 YIYUOQQFCBSXQV-UHFFFAOYSA-N 401.496 1.278 30 10 HDEE Cc1nc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)sc1C(=O)OC(C)C 586352663 APRIHSFRTOICKW-HHHXNRCGSA-N 414.509 1.076 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(F)c1 586864394 TZMLKVZZFHTJEW-BGYRXZFFSA-N 406.461 1.904 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCC1 589228827 SSDAIBAYXSCFTH-KRWDZBQOSA-N 423.560 1.867 30 10 HDEE CC(=O)NCCN(CC(=O)Nc1ccc(C#N)cc1)CC(=O)Nc1ccc(C#N)cc1 602268136 OKGPWRUMZOQOTI-UHFFFAOYSA-N 418.457 1.445 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2S(=O)(=O)C(C)C)CC1 607057140 JTTFVSQMDPRFQO-UHFFFAOYSA-N 408.524 1.320 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 610371549 TZKFFXNTOADZMT-CTNGQTDRSA-N 401.507 1.596 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 610808918 CHURGXRIVYIZSS-LRDDRELGSA-N 403.464 1.670 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613156748 YYJOZIIPQDQPBF-MLGOLLRUSA-N 405.422 1.188 30 10 HDEE NC(=O)[C@@H]1c2ccccc2CCN1CC#CCN1CCc2ccccc2[C@@H]1C(N)=O 671242143 SNZGNCIATBERBY-SZPZYZBQSA-N 402.498 1.159 30 10 HDEE C=CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 679474022 CGMUTEMOVXLLSN-HOTGVXAUSA-N 416.565 1.834 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)c3ccc(C#N)s3)s2)OC1(C)C 718813848 JTEGBMIDJYDBHE-UHFFFAOYSA-N 411.339 1.854 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C[C@@H]1CCCO1 727415740 YVPLWWFGODPGNC-HNNXBMFYSA-N 401.488 1.101 30 10 HDEE C#CCN(C(=O)CCOc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 729331021 ITZIWOYQWQOBOC-AWEZNQCLSA-N 400.294 1.867 30 10 HDEE C#CCN(C(=O)C1=Cc2cc(Br)ccc2OC1)[C@@H]1CCS(=O)(=O)C1 729332648 SUORCZQNJMPDKH-OAHLLOKOSA-N 410.289 1.874 30 10 HDEE CC(C)[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)N(C)C 729697748 CLQGMOSPIMNQHR-SFHVURJKSA-N 421.519 1.615 30 10 HDEE C=CCOCC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 729765259 DAOPZNHXLUTWBC-LBPRGKRZSA-N 400.453 1.018 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N1CCOc2ccccc21 731767053 NGBMMGHJZAXQHG-UHFFFAOYSA-N 413.455 1.710 30 10 HDEE C#CCN(CC#C)CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 752076629 KVQXZDRRJYDWLU-UHFFFAOYSA-N 420.435 1.357 30 10 HDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C#N)n(Cc2ccccc2)c1=O 755636713 TXBRYWYZIONBDM-UHFFFAOYSA-N 403.511 1.843 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2CC)c1=O 758091404 XEONKJZKTWXAKR-UHFFFAOYSA-N 418.478 1.154 30 10 HDEE Cc1ccccc1-c1nc(COC(=O)CNS(=O)(=O)c2ccccc2C#N)no1 761057527 QZQYGWVZGQRMCV-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE CCn1c(-c2cnccn2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 764864163 HALGNMCEQPTUGR-UHFFFAOYSA-N 407.507 1.937 30 10 HDEE C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[S@](C)=O 765945846 QTQFFWGXTQDPJW-JPNOFBRSSA-N 414.553 1.778 30 10 HDEE COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766841039 QMZUMCXVTIALSB-ZWKOTPCHSA-N 401.463 1.897 30 10 HDEE CS(=O)(=O)c1csc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 767449413 LSRKUJNBIJKNCL-UHFFFAOYSA-N 404.878 1.795 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768666297 UCLZMODDQREBON-SSDOTTSWSA-N 401.263 1.208 30 10 HDEE C#CCN(C(=O)Nc1cccc(SCCC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 774059301 TUBRSWNQEBTPEJ-OAHLLOKOSA-N 410.517 1.996 30 10 HDEE C#CCN(C(=O)N[C@H](c1cccc(F)c1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152098 FMUOSSMBHUGHGT-DLBZAZTESA-N 404.467 1.481 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@H](O)c2ccco2)CC1 774661233 NCALECMUCWXGDZ-FHWLQOOXSA-N 404.511 1.096 30 10 HDEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 779569421 CHWJXECOZDTWSJ-MSUUIHNZSA-N 419.482 1.379 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 780932914 SVEBYIOKAKNBQN-RTWAWAEBSA-N 406.486 1.605 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 784124562 BOZYGXBTWPMZQC-GOSISDBHSA-N 416.547 1.644 30 10 HDEE Cn1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc2c(=O)n3ccccc3nc21 784484080 HCPKFHSPAXKAQF-UHFFFAOYSA-N 421.438 1.318 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H](C)C(=O)N(C)CCC#N)CCCC1 786297361 PUHJSVHSEJQNKF-OAHLLOKOSA-N 403.483 1.383 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2ccc3c(c2)CC(=O)N3C)n1 788967385 XYKQONZSXNXBSB-MRXNPFEDSA-N 409.490 1.954 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)Oc2cccnc2C#N)c1 795283593 PGNMGSSLHRLCGK-UHFFFAOYSA-N 417.262 1.887 30 10 HDEE CN(CC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cc(Br)ccc1[N+](=O)[O-] 796381811 NINOPAHEBOLGMM-CQSZACIVSA-N 422.283 1.992 30 10 HDEE N#C[C@H](C(=O)CN1CCN(CC(F)(F)F)C(=O)C1)c1nc(O)c2ccccc2n1 796560562 DVVSCMDQSODXAE-GFCCVEGCSA-N 407.352 1.218 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)C1=O 798546755 GYEKEUWDLOTLLB-UWJYYQICSA-N 401.463 1.317 30 10 HDEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798740822 CNEHEPSDRSGSIX-CJNGLKHVSA-N 413.434 1.635 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)n1cnc(C#N)n1 800608899 QCZRIIMPDVWISW-GOEBONIOSA-N 411.466 1.926 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 802557896 HBSGCWGOZJONFB-JOCHJYFZSA-N 424.505 1.997 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 815199759 FSVVCSVCJIWKEW-VQTJNVASSA-N 418.582 1.875 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N1CCC[C@H](C(N)=O)C1 914678792 RYNQZEAWMVNPGS-QILLFSRXSA-N 401.463 1.617 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(C2CCN(C(C)=O)CC2)C1=O 917700310 DRAZEDXBAAMRIZ-KRWDZBQOSA-N 413.503 1.637 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)c1O 1084189973 WUVGGLNLEYQJLL-UHFFFAOYSA-N 420.480 1.339 30 10 HDEE CC(=O)ON=C(c1nonc1N)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 1084346816 UKQLTMRSILDNSH-UHFFFAOYSA-N 409.790 1.260 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1132310528 HLMXYXXDASBRSG-IBGZPJMESA-N 404.536 1.801 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)c3cc(S(=O)(=O)N(C)C)cn3C)c(C#N)cc2C1 1134922993 GMVNBPHKDWFYNS-GFCCVEGCSA-N 401.492 1.919 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)c1 1137743495 OQJXQZAGBYVJCP-CQSZACIVSA-N 408.373 1.898 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccncc2)C(=O)OC)c1 1144472152 NIXLPQDURVRUMF-SFHVURJKSA-N 414.483 1.640 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)C2)C1 1148396965 FCYUBARBUUTJLT-DEXSKKNNSA-N 404.511 1.934 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1)C(=O)OC(C)(C)C 1155585051 RPIIGFOYTRRJTJ-QGZVFWFLSA-N 415.490 1.653 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 1160051412 KQROZTHKOQHXBT-SREVYHEPSA-N 405.458 1.483 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1164686977 HBYKPLNRXACQHO-DOTOQJQBSA-N 400.284 1.865 30 10 HDEE C#CCN(C(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2)[C@@H]1CCS(=O)(=O)C1 1206601128 NQUMFQBAIRRBIJ-NWDGAFQWSA-N 411.505 1.075 30 10 HDEE CC(C)(C)OC(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1224982104 LCQSYDXEMDYHFP-JXFKEZNVSA-N 419.503 1.722 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286312717 YWEQKCHYWPEPRS-QGZVFWFLSA-N 412.538 1.813 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286322432 FATODHUDOHKVAT-KSZLIROESA-N 405.568 1.657 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(Cl)c2)CC1 1286483718 WAJHKUULARQQLV-UHFFFAOYSA-N 412.925 1.857 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1286606563 UQIYWASLDPBALF-KRWDZBQOSA-N 411.510 1.544 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1C 1286774137 ZXWGEXNRXGQVQK-GVDBMIGSSA-N 412.556 1.492 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)O[C@H](C)C1 1286793549 HFBSMZGOPNEGLM-CVYDXHPNSA-N 407.515 1.308 30 10 HDEE CC(C)CC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1287340362 FHDDVSOBDHTLOZ-HUUCEWRRSA-N 410.544 1.443 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970307 DMIGGSCMHYPLBE-MRXNPFEDSA-N 417.466 1.058 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1296955606 CKQXRGKOLXVUKC-OAHLLOKOSA-N 400.479 1.952 30 10 HDEE COc1cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)ccc1C#N 1297523383 BWIJBFCYZNNPAB-PKOBYXMFSA-N 411.433 1.527 30 10 HDEE CN(CCc1cnccn1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298632698 OPNWFMFLQGRKOB-HTXNQAPBSA-N 408.466 1.151 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300412485 APEMTZSVPMDTRI-JOCHJYFZSA-N 421.505 1.492 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1300460038 ZJJFOEDEDLNACL-SFHVURJKSA-N 411.506 1.757 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 1301219188 FTLCBGNKBOQOEH-UHFFFAOYSA-N 404.532 1.691 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1301305209 RZBTTXCVVFDFBV-UHFFFAOYSA-N 400.483 1.744 30 10 HDEE C=CCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1301473600 FHSFODCKZTVNSU-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301958284 AFEYORQQSUZWNY-HZPDHXFCSA-N 402.524 1.822 30 10 HDEE CC(C)(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1302020486 CPPWBTJWQQKKAF-QGZVFWFLSA-N 414.485 1.899 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1302334228 CNPSGHGIKQLMGF-QBPKDAKJSA-N 405.499 1.341 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1O 1302843096 YWRIHOGSBAJTAH-FXCLAUTBSA-N 424.505 1.414 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CC1 1302924478 MJFIUFKKBMUJCR-JAXLGGSGSA-N 415.559 1.647 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2nccn2C(F)F)cc1 1302988829 CYXXQFWMLKDUIV-CQSZACIVSA-N 412.404 1.768 30 10 HDEE Cc1noc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)n1 1304895048 DTXSMFRWENDJGJ-GOSISDBHSA-N 402.434 1.167 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC)C(=O)OCC 1309761908 PXHAWOOACAEVGL-LBPRGKRZSA-N 402.856 1.967 30 10 HDEE C=C(C)Cn1c(-c2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1342597169 IPXSFDDXJZRZPF-UHFFFAOYSA-N 424.549 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1351297445 ZWKVGYBHYSXNOG-OAQYLSRUSA-N 415.494 1.628 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1358975975 LUWAMFOHAYLPAP-UHFFFAOYSA-N 420.498 1.401 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1359009577 SYJFCWIXERPQHL-OAHLLOKOSA-N 418.519 1.705 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1359010165 IOLBKDFWGGYCEW-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1359064386 RISGMOILKKKAHL-YLJYHZDGSA-N 422.599 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1359065089 IKJGDSIGMWAMJY-DBVUQKKJSA-N 422.551 1.357 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1359189012 YSHNJDPXLBUWCC-MRXNPFEDSA-N 423.583 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359331062 MHRWVMAYHKOVGH-WBVHZDCISA-N 420.539 1.285 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc(-n4cnnc4)cc3)C2=O)cc1 1435867432 FKFGEXOYQZFJJC-GOSISDBHSA-N 415.413 1.983 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCc2nc(C#N)cs2)C1=O 1439713064 ZQDCCLSOVOKPMM-KRWDZBQOSA-N 421.841 1.891 30 10 HDEE C#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)cc1 1439969957 HGOYVDIGAYLPRL-UHFFFAOYSA-N 411.483 1.773 30 10 HDEE O=C(C#Cc1cccs1)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1447028115 HRBOOAWJGISMMH-UHFFFAOYSA-N 404.469 1.060 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)OCC 1454715661 TXTICKAHIDRHBO-HNNXBMFYSA-N 418.899 1.104 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(I)ccc2Br)C1 1456812367 ZZDJBSBMOZDGLF-UHFFFAOYSA-N 406.017 1.874 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)NCC#C[C@H]3CCCCO3)CC2=O)cc1OC 1457030430 NSIYQBNLZWVTFJ-RTBURBONSA-N 414.502 1.784 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)Cn2cc3c(c(C#N)c2=O)CCCC3)cc1 1459101392 BQPMQYMEKUNYJI-UHFFFAOYSA-N 413.499 1.573 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1463856524 ACGCWGVLAJZLGE-UHFFFAOYSA-N 420.554 1.307 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)nn1 1470583510 BTJWWVLPFLENEH-HNNXBMFYSA-N 422.486 1.256 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 1471121393 FSSBKMWWDJZNLV-LJQANCHMSA-N 417.443 1.144 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)cc1 1472167696 ARUCUDYSSDVEFC-OAHLLOKOSA-N 422.503 1.076 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1472618482 VQXDQMVEUCWMDT-UHFFFAOYSA-N 417.443 1.112 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(N2CCCS2(=O)=O)CC1 1473546062 ARZMIQLRPLEEEI-MRXNPFEDSA-N 422.526 1.961 30 10 HDEE C#CCN1CCN(C(=O)CN2CC3(CCN(C(=O)OC(C)(C)C)CC3)C[C@@H]2C)CC1 1473574546 RYAMIZWFKZJKCH-IBGZPJMESA-N 418.582 1.875 30 10 HDEE C=CCn1cc(CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)nn1 1475413515 BFXTVMJDCWIHFM-UHFFFAOYSA-N 415.269 1.575 30 10 HDEE Cc1cc(Br)cc(C)c1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1477670781 AQVMRBUWIKRQPA-UHFFFAOYSA-N 420.267 1.699 30 10 HDEE C#C[C@H](NC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1478901665 UYUOQOGFRVKDGA-BBRMVZONSA-N 402.875 1.999 30 10 HDEE Cc1nnc(N2CCSC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1492966594 WTKJOHFSSKPELP-WUKNDPDISA-N 418.523 1.215 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1498535641 NJIOYHFUXNDVBQ-HUUCEWRRSA-N 415.498 1.254 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1507516723 MHPMQXSYEXCDOW-YESZJQIVSA-N 410.588 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1507533192 KXMXOUVOJBOPSV-PEBXRYMYSA-N 419.489 1.128 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2conc2COC)CC1 1507722709 GATHZWBTAWTDRR-UHFFFAOYSA-N 417.473 1.755 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)CCCO2)CC1 1507727706 LLLZFOGNDAEDIX-FQEVSTJZSA-N 400.552 1.958 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC 1507763223 RPVHLEHEYFWMPK-HXUWFJFHSA-N 405.466 1.049 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507966977 DZUHOVAGSDJXDH-RTBURBONSA-N 405.543 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](COC)C1 1508089544 XXCVDDSAYIFRRP-AWEZNQCLSA-N 416.482 1.171 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1509763904 OGKQJSIOIBYZFH-QGZVFWFLSA-N 424.509 1.247 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(C)=O 1513026887 JJXIMOMDMHDDBW-MRXNPFEDSA-N 410.526 1.911 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1516162809 UWCFDTPKFOPWNO-SQGPQFPESA-N 405.499 1.210 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1 1517073841 HWOLMVVNBZMSKI-QGZVFWFLSA-N 424.505 1.538 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518858144 UUMYSMUOOFMFCM-MEUCICPISA-N 414.510 1.935 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Cl)ccc2Br)C1=O 1537425271 IUWFFESSNSXFDM-UHFFFAOYSA-N 414.643 1.696 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139257 CFETXCPPXNSDCV-FQEVSTJZSA-N 404.515 1.194 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1539229977 AQHHJWXWMILKQT-INIZCTEOSA-N 416.526 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN2CCOC2=O)CC1 1539484082 BMTJIDPUQZLAHI-UHFFFAOYSA-N 414.510 1.039 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539519376 FKGQLRWQLBQZCH-QZTJIDSGSA-N 410.547 1.878 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(COC)CCOCC1 1539563361 LMTPTDUZVFLWDM-OAQYLSRUSA-N 415.538 1.836 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1539722096 KIHSEFSPCKFCOA-UHFFFAOYSA-N 420.558 1.893 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539758639 PYAIKWWRJLURIK-ZWKOTPCHSA-N 419.526 1.377 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1540868498 HUYDFDYJEFHTGG-KRWDZBQOSA-N 423.525 1.700 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540871196 GGHLTFOMAKQMNF-OAHLLOKOSA-N 402.543 1.664 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nncn2CC)C1 1540884308 NDXYHGCTJXUMCH-OXQOHEQNSA-N 417.514 1.371 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cnnn2)C1 1540886592 GHWZRTXMHXYCLF-GOSISDBHSA-N 410.482 1.812 30 10 HDEE C[C@@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1544869956 JVKQNQLHMZVOFY-UFOSLELVSA-N 400.483 1.687 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(CC3CC3)CC2)s1 1557663240 ZQTKUQYDHLIWMR-UHFFFAOYSA-N 411.593 1.993 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1559024666 PKFMCJLYNGIEOS-RISCZKNCSA-N 422.425 1.996 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@H]1C(F)(F)F 1564720380 ABHGTCQHEDPEGJ-VXGBXAGGSA-N 421.420 1.361 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1567332349 GSPNMTCHSUVYCC-UHFFFAOYSA-N 412.450 1.758 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)c1ccc(Br)cc1 1584708779 UPTBULHUZREOKH-HOTGVXAUSA-N 406.280 1.367 30 10 HDEE C[C@@H]1COCCN1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585414185 WSPYRYHXTQETOY-CYBMUJFWSA-N 407.312 1.594 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCC1 1587561998 JSEOYSLKDVOZQP-HOTGVXAUSA-N 411.572 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1587562518 QFZRJXSCBJDEFO-GJZGRUSLSA-N 415.523 1.351 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1587909365 JODVXPZOVQMQNV-RHSMWYFYSA-N 422.530 1.400 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1588262786 LCPGONBLMHTUOI-UTKZUKDTSA-N 401.511 1.702 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1588445927 USPJRIWPBGMEAR-FQEVSTJZSA-N 418.519 1.175 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1588638487 RYFNSLQPMIUCRZ-UHFFFAOYSA-N 422.533 1.590 30 10 HDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CC(=O)NCC=C)CC1 1588751696 MKYNPBOFJMIKAP-UHFFFAOYSA-N 418.545 1.806 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCC(OCC(N)=O)CC1 1589097437 PANFDJUTIGPSGW-UHFFFAOYSA-N 405.568 1.848 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1594732755 HPDFBEMPVOUMHG-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1595477730 YFOODBYAGYBMJX-ZLGUVYLKSA-N 419.526 1.311 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595523538 XTAFOTYYYHUCEB-JOCHJYFZSA-N 422.464 1.879 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CC=CCC2)C1 1595680365 JGIGHGAWKJQWCV-DENIHFKCSA-N 417.554 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595760082 KCNPOSZBIVNZFH-INIZCTEOSA-N 406.556 1.805 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H](CC)CO)nnc12 1611388581 KQMDDZQPZAARHF-CYBMUJFWSA-N 401.492 1.552 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1611635199 FCCNUFSBJNNCGD-ZDUSSCGKSA-N 400.464 1.722 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1611723355 AZGCPZGERDEMIW-CLCXKQKWSA-N 403.508 1.870 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1611815402 ARMAONYBBKBBIO-INIZCTEOSA-N 421.461 1.790 30 10 HDEE C[C@@H]1COCCN1CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1613012140 CBINZXNHVIIQIL-AEFFLSMTSA-N 414.485 1.457 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)F 1613478125 DZYVBPMYZZXBRT-HZPDHXFCSA-N 418.448 1.930 30 10 HDEE CCOC(=O)[C@H]1S/C(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)N(C)[C@@H]1C 1613902928 HUEMCGDOMSTLKJ-QGFRBLGISA-N 414.505 1.350 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1616746018 UXUXDQWSCJMKKV-CYBMUJFWSA-N 412.533 1.391 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCC[C@H]1C 1619913492 FKPQXULPPVPXAS-OXQOHEQNSA-N 404.515 1.318 30 10 HDEE N#C[C@]12CN(C[C@@H](O)COc3ccccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1620635213 GGEIIGVXSDIVOJ-WOSRLPQWSA-N 404.410 1.315 30 10 HDEE C#C[C@@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 1625078452 YYMYBZMCPKGPHV-YYRKOSNBSA-N 402.248 1.350 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1625437943 XVNHYNZCBVEXAV-INIZCTEOSA-N 403.483 1.532 30 10 HDEE COC[C@@]1(C(=O)NCc2ccc(OCC#N)cc2)CN(C(=O)OC(C)(C)C)CCO1 1626726360 LUUAOALJGMLQLN-OAQYLSRUSA-N 419.478 1.858 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(F)cccc3F)CC2)cc1 1627418947 HDFFXXLXKBEOLW-UHFFFAOYSA-N 419.453 1.839 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1632533332 UUULWEFCXFJJQZ-ZYHUDNBSSA-N 412.288 1.600 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C=C\C(=O)c2ccc(C)cc2)c1 1633148313 MZEUWPRBRCSAAZ-KHPPLWFESA-N 415.471 1.397 30 10 HDEE Cc1nc(CN2CCC(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2)cs1 1635378121 DVIJAATUNIGNOQ-UHFFFAOYSA-N 415.523 1.734 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2)C1 1635972040 ONQKICAWNBXFDT-BFUOFWGJSA-N 408.455 1.494 30 10 HDEE N#Cc1cnc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c(Cl)c1 1638592616 HHUDDLGQINXOQE-UHFFFAOYSA-N 418.906 1.767 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCCC(F)(F)[C@H]3O)C2=O)cc1 1639033663 LWIYCNRNNBCKBQ-YCPHGPKFSA-N 406.389 1.428 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)C(=O)OC 1639559188 UYEUSUGWCQZDQV-QGZVFWFLSA-N 416.434 1.930 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN=S3(=O)CCCC3)CC2=O)cc1Cl 1640390404 QZBZASCTBPMAEM-AWEZNQCLSA-N 408.911 1.943 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1)c1cc[nH]n1 1641347693 FACSEIUHMMIHPX-HOTGVXAUSA-N 411.462 1.288 30 10 HDEE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCN(O)C1=O 1641378809 GWGNXZVHPUETFR-LBPRGKRZSA-N 405.270 1.109 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nnc2n1CCN(C)C2=O 1643917512 XUFSQJABCCMFQL-UHFFFAOYSA-N 409.368 1.877 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1654984314 LWAHPBLHZUPWET-QZTJIDSGSA-N 409.552 1.525 30 10 HDEE C#CC1CCN([C@@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1659142752 SFYNBHASHCTHCB-HNNXBMFYSA-N 419.526 1.044 30 10 HDEE C=CCSCCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1668520927 OXZZMXKEVDXVAP-DLBZAZTESA-N 414.549 1.861 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)n1 1675449844 GMSPABRWFXWNDS-KRWDZBQOSA-N 408.462 1.909 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 1678552566 PLNQLRBJFKOZMZ-HNNXBMFYSA-N 404.492 1.037 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1681880269 PHCYZUMFMFLIEJ-HNNXBMFYSA-N 409.531 1.989 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1687205660 CUIZJLLTRQEXPB-SFHVURJKSA-N 402.495 1.389 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1689965785 CXWCAZJDDRLWDD-OXQOHEQNSA-N 400.504 1.084 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1689980671 VYQINUNJCBQFFS-QZTJIDSGSA-N 421.611 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NC2CCCCC2)CC1 1690135559 ZEKRWWWGOYMWNP-GOSISDBHSA-N 400.527 1.334 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(F)cn2)CC1 1690142438 OBBNDYFOLYJZJO-UHFFFAOYSA-N 421.480 1.832 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690358610 FVNPPAHXNAGPGE-RDTXWAMCSA-N 413.906 1.022 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1690508049 AFCUCCXKINDSLU-QGZVFWFLSA-N 407.515 1.060 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC)C1CC1 1690545680 WPHOIIRQIXOFGN-OAHLLOKOSA-N 403.508 1.787 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1690597476 VBVFMADDHJFDRM-BBWFWOEESA-N 410.540 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1690663196 PBDVXJOPECOHRZ-UHFFFAOYSA-N 424.505 1.954 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC1CC1 1690668840 LJBHQQCQJWMSMM-UHFFFAOYSA-N 417.539 1.387 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)C1 1690687762 IWVPRTCMBGVBBA-OXJNMPFZSA-N 407.515 1.188 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1690715728 SKMKIPKQHJDAFH-UHFFFAOYSA-N 418.585 1.406 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[C@H]2COCCO2)CCOC1 1690995497 JRXPJSSMEKCMTP-UWVAXJGDSA-N 407.515 1.720 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCO[C@H]1CCOC1 1692519046 LXOVXWLRRAUUQY-INIZCTEOSA-N 404.515 1.742 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693809073 AJJOIMULWIWDJS-FZFLATATSA-N 423.477 1.015 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1705501058 WAPFLFSBAVFVQU-CYBMUJFWSA-N 421.548 1.305 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1705516675 GYXOMNWPTBXVAB-KURKYZTESA-N 406.552 1.989 30 10 HDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O 1705538712 XZNHROGODYFHSR-UHFFFAOYSA-N 414.535 1.680 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1705541487 KOOQIGLYEBEEHZ-AWEZNQCLSA-N 418.523 1.159 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)OC(C)(C)C 1705547026 PYSKRUUPVURXCY-FQEVSTJZSA-N 407.515 1.914 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(F)c1 1705574213 XRZKMCFDPHSVIW-MRXNPFEDSA-N 417.510 1.733 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1705610920 JXHCWOWALOVNNN-UHFFFAOYSA-N 420.502 1.860 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCSC1 1705625049 UYDBSDUMMJGWLB-HXUWFJFHSA-N 402.520 1.908 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1705638056 WKSFZYPEHZTHFQ-LJQANCHMSA-N 407.522 1.354 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705642820 INMFZQXZDRNWJT-PMACEKPBSA-N 402.587 1.938 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705752534 ZBTZRGDQSJJWIY-UHFFFAOYSA-N 415.885 1.922 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1705812330 WZDGTHDVNYAOSL-RYUDHWBXSA-N 411.450 1.622 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705825251 NZWDOQFLMLANSC-CVEARBPZSA-N 400.483 1.725 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705909525 ZQKAFYKODRBIIW-ZMMAXQRCSA-N 419.526 1.167 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1706938569 NYVBVEBRSCNGOC-HNAYVOBHSA-N 416.432 1.943 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1709445728 ZCVXOQSKHGSMQK-MOPGFXCFSA-N 404.446 1.999 30 10 HDEE CCS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1710890755 GKGZTNXRMRWEHX-UHFFFAOYSA-N 418.523 1.652 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722359257 REXRFKGZXUXEOR-SJORKVTESA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722365817 PMYJRYFZAKJTRA-HIFRSBDPSA-N 422.580 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC[C@H]1COCCO1 1722385487 JGMFHRMLRDTOIW-NRFANRHFSA-N 408.502 1.950 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1 1722412226 GMZIXSXJTBGLIV-UHFFFAOYSA-N 407.565 1.918 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722451617 FJJWAHYZLLMXRW-QGZVFWFLSA-N 411.597 1.784 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOCC1)C(C)C 1722665517 MWLONYKUCWCGFQ-ZWKOTPCHSA-N 402.543 1.764 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CC=CCO1 1722679951 QRUVYWRVIMUHCE-OAHLLOKOSA-N 401.467 1.990 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCSC1 1723307538 FSLRJDMZIMGQCB-HXUWFJFHSA-N 414.535 1.880 30 10 HDEE CCOCc1nnc(N2C[C@@H](N3CCOCC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1728995061 FSUDEWIZFAQMGW-CRAIPNDOSA-N 400.483 1.484 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1729351524 KREFPOUOSICNFK-SFHVURJKSA-N 413.503 1.787 30 10 HDEE CO[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729838392 VMAFSMPLPNZDSU-KRWDZBQOSA-N 418.505 1.892 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730486966 FDUXQHGXMGJWMM-CZUORRHYSA-N 416.457 1.692 30 10 HDEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1730692940 ONDADEAPFJSBJX-HXUWFJFHSA-N 400.531 1.777 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1730874222 HZYQNSJGQFUWAU-KURKYZTESA-N 406.531 1.463 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740622469 YOGAQGVRJWYAHU-BEFAXECRSA-N 405.524 1.451 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1740686840 XICGNSKPJLYKBJ-JFIYKMOQSA-N 424.567 1.470 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](c2ccco2)N2CCCC2)CC1 1740700616 XFSMKGKTXVDJHS-IBGZPJMESA-N 412.538 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(C)CCCO2)CC1 1740704936 XDLGDNLCZFXJIU-QFIPXVFZSA-N 410.522 1.819 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740722315 DLWISMOVKSGQTB-RCCFBDPRSA-N 405.568 1.653 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccn2C(F)F)CC1 1740825367 NIDLELLYHFIDHE-ZDUSSCGKSA-N 412.466 1.977 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1740867437 JUKJLQHLSDCCTJ-UHFFFAOYSA-N 418.542 1.459 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1740941473 LSTJYAXWZQSOHK-MRXNPFEDSA-N 400.483 1.353 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCCNC2=O)CC1 1740951343 VNTOPGBBBPSYEE-RDJZCZTQSA-N 404.515 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCC=C)C1 1740981887 QWFGDAZGXDKOTJ-JKSUJKDBSA-N 412.581 1.881 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1740996091 GCAITLMRYPKOHZ-ZDUSSCGKSA-N 403.574 1.423 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1745066753 NHSNPTKWGHYRSA-NZKCYVOASA-N 416.482 1.271 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748814338 DFWFZEMEQFLSID-ZJPYXAASSA-N 422.551 1.571 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748822150 YYNAUOYJPDVYBM-KRWDZBQOSA-N 419.551 1.217 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1748891748 FHUHORHCOXXRQF-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749198863 VNRMFUMDYSIHJS-OAHLLOKOSA-N 415.523 1.683 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCN(C(C)=O)CC2)CC1 1749292877 XQGNGOCEKIQKMP-GOSISDBHSA-N 420.558 1.323 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1749725010 MQGWYSGPTQDZAC-UHFFFAOYSA-N 420.539 1.308 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC(COC)CC1 1749732582 ZKLUAWITONNTRM-QGZVFWFLSA-N 412.556 1.983 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1749827775 KQZPRCGPCKLCLG-OAQYLSRUSA-N 410.478 1.989 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCOC2)nnc1N1CCCCCC1 1750417673 HLYIRWMKKYDMIK-DXQAYGFFSA-N 400.483 1.689 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1760100876 ZMJAZMPOITVKJJ-PGRDOPGGSA-N 419.570 1.623 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCn2ccnc21)[C@H]1CCS(=O)(=O)C1 1760181907 DKSNGDVVGULJNK-SJORKVTESA-N 416.551 1.802 30 10 HDEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCS(=O)(=O)NC)CC1 1760391524 GOJODXGHLIIDMB-UHFFFAOYSA-N 414.535 1.987 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760441873 XNHWZQPMVYLFSQ-SFHVURJKSA-N 418.567 1.996 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760516575 QUPFNXRJZFHOHF-JPYJTQIMSA-N 422.533 1.981 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Br)cc2)nnc1N(C)OC 1760526240 IQDBZPIDLRLQGL-UHFFFAOYSA-N 410.272 1.919 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCCn1cc(CO)nn1 1760697530 RMAYRQDXWQDTRT-CQSZACIVSA-N 400.512 1.700 30 10 HDEE CC(C)(C)c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760728850 VLUCMBGKRIQJCV-WUKNDPDISA-N 402.499 1.311 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N(C)[C@H](C)CC#N)CC1 1765562591 NBSKJGLGBXAHDE-GOSISDBHSA-N 411.558 1.891 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767886432 PJWNFFJBHJFDJY-RAJOGRCSSA-N 418.498 1.204 30 10 HDEE CNC(=O)CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1769323197 BZOJBZFCGSYBHH-ZDUSSCGKSA-N 404.858 1.472 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1770160101 QTSCLBHAKWEWQB-LJQANCHMSA-N 424.505 1.681 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCSCCCO)CCN1C1CC1 1770748809 RVLOSJKOWZOWCL-NVXWUHKLSA-N 406.556 1.074 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cc(C)nn1C 1771295652 XPQNEUOADRARQC-URLQWDBASA-N 403.462 1.534 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)NCC1CCN(c2ncccc2C#N)CC1 1850039915 ACQQZRKYDNFUSP-UHFFFAOYSA-N 402.462 1.790 30 10 HDEE CN(CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1)Cc1ccccc1 1850213588 WRWAENONQONCCP-LJQANCHMSA-N 403.548 1.442 30 10 HDEE CCc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)cc1 1851290721 FQOXIVXHMUGQOF-UHFFFAOYSA-N 402.462 1.762 30 10 HDEE CC1(C)[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)CC[C@]1(C)C(N)=O 1852520758 BQEXGRMWTMADMN-VGOFRKELSA-N 413.522 1.546 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(CCOC(=O)CC2CC2)CC1 1852769345 PJRVOSORHINRFK-UHFFFAOYSA-N 400.479 1.904 30 10 HDEE N#C[C@@H]1CC(=O)N(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)C1 1853244366 CDFNTIFHWXXWRL-AWEZNQCLSA-N 401.419 1.920 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCOCC2)c2ccc(F)cc2)CC1 1853542301 WBUMAXYKSDWHBP-UHFFFAOYSA-N 411.499 1.864 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1853652383 AIQNCBDRBSPTTI-GOEBONIOSA-N 418.519 1.148 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CCC3=O)cc2n1C 1853686799 AARCJOCNZAIZAU-INIZCTEOSA-N 409.490 1.491 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)CC1 1853743419 MWKSCUYOCZMARG-MSOLQXFVSA-N 418.563 1.484 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2sc(C)nc2C)C1=O)[C@@H]1CCN(C)C1=O 1854263663 XIBZWWSVLRZUHP-DLBZAZTESA-N 418.563 1.929 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CCC1=O 1854426812 BMHBWSBGWIWJHW-IBGZPJMESA-N 414.506 1.846 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1 1854720416 OOUNASXBSJPVRQ-UHFFFAOYSA-N 412.471 1.546 30 10 HDEE Cc1nc([C@H]2CC(F)(F)CN2[C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1854884480 HITARTURLDZQCZ-ZIAGYGMSSA-N 402.361 1.468 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)CCn3ccnc3)C2=O)CC1 1855171092 XSFVRUBQQGPVED-IBGZPJMESA-N 406.490 1.937 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1 1855552281 CCVNXKRQJYKERN-QGZVFWFLSA-N 409.483 1.226 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc3n(n2)CCCC3)CCN1CCOc1ccc(C#N)cc1 1855923398 KOBBTNFPPAQRMC-MRXNPFEDSA-N 407.474 1.843 30 10 HDEE C=CCCN1C[C@@H](C)C(=O)N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1856034113 KRBQEURMSYHBNP-RDTXWAMCSA-N 419.503 1.181 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C(=O)[C@@H]1C 1856288819 FVMIDTUAZGTARO-IRXDYDNUSA-N 407.474 1.662 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(c4ccnc(F)c4)CC3)CC2=O)ccn1 1856586495 GHFGVWVKYIEZDJ-HNNXBMFYSA-N 408.437 1.298 30 10 HDEE Cn1nncc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856607006 BNAUBSCOSNYLMV-UHFFFAOYSA-N 406.446 1.167 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC)c(OC)c2)C1)[C@H]1CCN(C)C1=O 1857268751 DDCUESMZZNZRBD-WBVHZDCISA-N 415.490 1.411 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccnc3)C2)CC1 1857378397 UJOJCAVPWUDNGD-KRWDZBQOSA-N 404.474 1.549 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C[C@@H]2CCCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857457055 DJOOKJQPWXDGBF-GJZGRUSLSA-N 405.476 1.957 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1858301789 LHMSYVOJKRPYAU-MRXNPFEDSA-N 402.410 1.185 30 10 HDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 1858961510 BRVCLRSDNSZBKO-UHFFFAOYSA-N 404.444 1.983 30 10 HDEE Cc1csc2nc(Cl)c(/C=N/NC(=S)NCCCN3CCOCC3)n12 1860497458 NIUCGKXJVUIACP-GIJQJNRQSA-N 400.961 1.878 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)N[C@H]2CCCCN2[C@@H]2C(=O)CSC2=O)c1 1866233301 XXQMEBCUDJYECU-GXLYXMFMSA-N 402.472 1.573 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccnc2)CC1=O 1874274927 XAUZFUCJIXONJR-UWPAOYMWSA-N 401.496 1.247 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)OC3CCOCC3)CC2)CC1 1889990424 SNLDNSCXIGPHBM-UHFFFAOYSA-N 407.555 1.812 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)CS2 1891999411 NTERAXRUYDOYMQ-ZIAGYGMSSA-N 412.475 1.005 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)c1cncc(C#N)c1 2174781468 GFVNGSKZWXHKIP-GFCCVEGCSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1C(F)F 2174788226 BZPAFNSOIMPEKZ-STQMWFEESA-N 408.471 1.557 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(O)(C(F)(F)F)CC1)C(F)(F)F 2180825695 YJOBKUZPNHNKJE-QMMMGPOBSA-N 404.229 1.902 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)CC1(S(C)(=O)=O)CCC1 2235503643 FQNGOLZBFVPXHN-UHFFFAOYSA-N 400.375 1.841 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(N)=O)Cc1ccccc1 2243418405 BRVQGBITWBIBJB-UHFFFAOYSA-N 415.324 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)O2)C1 2247929160 DYPUZWAFKTVMPJ-OAHLLOKOSA-N 420.315 1.906 30 10 HDEE Cc1nc(C(=O)NCCS(=O)(=O)C(F)F)c(B2OC(C)(C)C(C)(C)O2)s1 2282020902 FIWMMLYBOUOKLM-UHFFFAOYSA-N 410.273 1.118 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282319854 ABGAKXLIGMXTOG-STQMWFEESA-N 400.375 1.904 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@]1(C)O 2282335602 ROMPRIXMPBJSAZ-SJCJKPOMSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]23CCOC[C@H]2C3)OC1(C)C 2282504270 MIPBRLOAPKLRCC-BZNIZROVSA-N 400.331 1.041 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCS(=O)(=O)C3)sc2Cl)OC1(C)C 2282615142 MNNQGNKOXWRNHD-SNVBAGLBSA-N 419.761 1.865 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NCC[C@@H]2CCCS2(=O)=O)OC1(C)C 2282616899 CEIZRUFCTLKUFI-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CC[C@@H]4O)C3)cc2Cl)OC1(C)C 2282830583 WSESHOAYFLGFAU-NSHDSACASA-N 419.761 1.846 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H]1CCCNC1 2282833705 JFOUGZWDJBCQEF-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CCCN1CC(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282842198 UVLHQJRLHCKWPE-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE C[C@@H]1CN(C)CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847869 GBDRGKCBHKGJPM-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE CN(C[C@H]1CCCCN1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849258 YRAFYKBWNRNPIG-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@](C)(O)C3)ccc2Cl)OC1(C)C 2282867179 VDTZWYINSIEAAN-QGZVFWFLSA-N 401.721 1.785 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284395984 RRKFCPCREVVIAY-SNVBAGLBSA-N 403.693 1.781 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCNC(=O)OC(C)(C)C 2300226621 DSTZMGFBZVMKFY-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2338487512 OUQUEIJVHREVQG-KNKQGSTJSA-N 402.491 1.593 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CNC(=O)OC(C)(C)C)C(C)(C)C 2365207165 LWZRAYKAFRDCGJ-IFXJQAMLSA-N 404.573 1.703 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2365212757 RGXXPLAEWARPJE-KXBFYZLASA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2367786703 ISDFDINSEKBJLT-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367803418 KSVHBKAMKXRUPW-CVEARBPZSA-N 400.541 1.556 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367818348 VKJJTXYYEYIZKL-OWCLPIDISA-N 400.541 1.292 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)[C@H](C)C1=O 2372873784 VOXHYUHCVLCFRU-VGOFRKELSA-N 415.490 1.961 30 10 HDEE Cc1nn(-c2ccccc2)c(COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1C#N 12484486 XHBXXXRSXXKAKF-MDZDMXLPSA-N 405.414 1.206 30 10 HDEE COc1ccc(N2/C(=N/C(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 16741084 PRWSMYRCUIFQAY-IKZORZIJSA-N 412.489 1.552 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1 20527289 HVDRGMNYLCWLII-KEBDBYFISA-N 413.463 1.883 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(C(=O)c4ccncc4)CC3)cc2C1=O 53340450 SHSAOZTZLRXDDB-UHFFFAOYSA-N 418.453 1.898 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1C 111215882 MDKBQIFJBQWRRQ-LJQANCHMSA-N 406.552 1.616 30 10 HDEE N/C(=N\O)c1cn[nH]c1NS(=O)(=O)c1cc(Cl)c(Br)s1 148394463 HPSSXLDPNMRCED-UHFFFAOYSA-N 400.667 1.782 30 10 HDEE CC(=O)N1CCC[C@@H](CCS(=O)(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 208046845 ORKJPNFYLCSHFS-HNNXBMFYSA-N 423.344 1.198 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1OC 238953372 XKIMLDPLHJBZMF-CYBMUJFWSA-N 404.448 1.598 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)C1=O 410123239 YSPGDTYMVIRPCJ-PMACEKPBSA-N 406.486 1.668 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)c3cccnc3C#N)C2)c1 428413313 ZCKMFLHXZXSSQM-AWEZNQCLSA-N 402.476 1.775 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 443368527 JOQVXARTOVINOM-CQSZACIVSA-N 417.409 1.635 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 444288754 RBBUGJDIGZCQCC-OXJNMPFZSA-N 424.519 1.628 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 461551692 PFXNZEVHVHYQED-KBAYOESNSA-N 424.505 1.855 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 468613681 UHHLTKJRYWPZOR-MRXNPFEDSA-N 421.519 1.991 30 10 HDEE C=CCOc1ccc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1OC 477846474 HTQFQBXZYWBYBQ-UHFFFAOYSA-N 401.507 1.934 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)n1 479782568 MSLVOAALQLZGAM-UHFFFAOYSA-N 418.501 1.387 30 10 HDEE COC(=O)C1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)(C(=O)OC)CC1 480707043 HYWNXMVIXMGNBJ-UHFFFAOYSA-N 412.439 1.392 30 10 HDEE COc1cccc(C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482182707 TYMHHAMTIRNDQI-LSDHHAIUSA-N 401.488 1.981 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccnc(C#N)c1 483119284 LNOQCDYDQQELKE-UHFFFAOYSA-N 415.475 1.150 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(OCCN3CCOCC3)c2)cc1C#N 489100944 KSGKCUXXWBPJKR-UHFFFAOYSA-N 416.503 1.451 30 10 HDEE COc1cc(C[C@@H](CO)CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc(OC)c1 489524239 PZGDVWDSALXKPE-OAHLLOKOSA-N 405.476 1.408 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)cc1C#N 490454237 MHSXUJJRHIONJP-OAHLLOKOSA-N 421.276 1.718 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 508463113 DJBNMTRHEKLFBT-HNNXBMFYSA-N 407.478 1.483 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)s1 508829464 ZGQZZVSPKHNEPD-HNNXBMFYSA-N 411.553 1.803 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)Cn3cncn3)nnc12 520037462 DCMQNHDSJAOGDJ-ZDUSSCGKSA-N 424.490 1.119 30 10 HDEE N#CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CC1 520112949 IYDXKHOTBPUYTR-UHFFFAOYSA-N 414.281 1.317 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCN(c3ncccc3C#N)CC2)cc1 523706078 VPNZISCKZBYPGD-INIZCTEOSA-N 407.474 1.567 30 10 HDEE Cc1ccc(C(=O)NCc2cnn(-c3ccccc3)c2)cc1S(=O)(=O)NCC#N 524343164 VVBFDZJBNREGJR-UHFFFAOYSA-N 409.471 1.913 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ncccc2C#N)CC1 525249049 UINNZMVMMROCDV-GOSISDBHSA-N 422.508 1.952 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2[C@H]3CC[C@H]2CC(O)C3)CC1 533440537 BQOBCZWTLOPNJE-GJZGRUSLSA-N 411.462 1.443 30 10 HDEE C[C@@H](C#N)CNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 543807408 NTVRBRHMZHAZBS-LBPRGKRZSA-N 404.414 1.881 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544843700 ZYQACROIFZIGIG-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)cc1 545560008 MNRBEWDBSJCZTG-UHFFFAOYSA-N 404.400 1.385 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](n4cc(C(=O)OC)nn4)C3)cc2C1=O 546565949 UHSXJJVJSLVWHZ-CQSZACIVSA-N 423.429 1.324 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=C)C)CC1 555263956 RMIGCHSGZIBJCY-UHFFFAOYSA-N 412.542 1.140 30 10 HDEE Cn1cc(C#N)cc1C(=O)NC[C@](C)(NC(=O)c1cc(C#N)cn1C)C(F)(F)F 560139278 FCFMAIQQYBVITJ-KRWDZBQOSA-N 406.368 1.588 30 10 HDEE N#Cc1cccnc1N1CCN(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1 609770887 JZMHVTMDWTXWPI-UHFFFAOYSA-N 408.418 1.982 30 10 HDEE CN(C)CCCNS(=O)(=O)c1ccc(-c2noc(-c3ccc(C#N)nc3)n2)cc1 612910763 FFTXSOXRHAZAOV-UHFFFAOYSA-N 412.475 1.900 30 10 HDEE CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 619711368 ULWVNKCASZVEGZ-UHFFFAOYSA-N 411.427 1.233 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2ccccc2Cl)CC1 732465150 FDZLKANTULZDIE-ZCXUNETKSA-N 403.870 1.698 30 10 HDEE C#CCN(C(=O)[C@@H](C)Oc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 732756106 AUTJAGBSXBUKNR-OLZOCXBDSA-N 400.294 1.865 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(CC)c2=O)cn1 735067859 AEGCEGZDIOCKPD-UHFFFAOYSA-N 421.526 1.702 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 740213594 JNHBJBXDSLIPNA-ABAIWWIYSA-N 408.457 1.744 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 747864712 DXLMTYRWEQRORS-NRFANRHFSA-N 406.527 1.060 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 748394625 FNLFKLVYIUOJAL-UHFFFAOYSA-N 419.445 1.049 30 10 HDEE CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750801528 MNDDNZYIINESSF-DQNFTHGOSA-N 407.517 1.762 30 10 HDEE C[C@H](C(=O)OCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 752612534 CLOBFTZNFFHDEO-ORAYPTAESA-N 407.492 1.392 30 10 HDEE C#CCN(C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 764869498 AELVYULTQPHFFT-HZPDHXFCSA-N 410.536 1.673 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767629430 USUFTDLGHXMZSF-CYBMUJFWSA-N 402.428 1.660 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc(N3CCOCC3)c(F)c2)cc1 770093691 XRMAPZNIHNTONM-UHFFFAOYSA-N 403.435 1.794 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(N2CCCS2(=O)=O)c(F)c1 772261045 XAEIZDGYAKZCHM-UHFFFAOYSA-N 424.479 1.497 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 776121197 ARVGBDKRXYMLNO-QGZVFWFLSA-N 400.460 1.172 30 10 HDEE C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCN1CCO 779408165 CARYWJJBZFSEPL-GALDBLJUSA-N 423.539 1.030 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780853576 BVOQPJBQQRWWPV-JOCHJYFZSA-N 406.486 1.991 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649062 NMXXZUMQOVDINZ-UHFFFAOYSA-N 412.515 1.144 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 794731542 SCRRMPPRXBHHJK-INIZCTEOSA-N 416.478 1.959 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2COC)[C@@H]1CCS(=O)(=O)C1 801790732 XPZBYRWWQMGEQX-MRXNPFEDSA-N 405.476 1.224 30 10 HDEE COc1cc(C#N)ccc1OCCOC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F 805366791 LLSMSRDXHAKSRT-ZDUSSCGKSA-N 422.434 1.995 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)(C)C 807878272 KHCOOWPUQLDGGI-DLBZAZTESA-N 408.520 1.880 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 809890177 VSVWDBROYJURHK-YOEHRIQHSA-N 402.451 1.623 30 10 HDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 813561814 PFGZZJBRKZLDLM-HOCLYGCPSA-N 419.551 1.129 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)C1 813837256 GSBWWKFNZQCVKU-OALUTQOASA-N 414.506 1.745 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC(=O)N2C(C)(C)C)cn1 816402740 PDIDTQLONQHQAQ-SJLPKXTDSA-N 413.478 1.544 30 10 HDEE O=C(C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CC2)C1=O)NC1CC1 914551609 IALYDNPGTXHSEO-OAHLLOKOSA-N 404.467 1.705 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ccc(C#N)cn3)CC2)C1=O 918729221 DJTCILCZIDEFAJ-JOCHJYFZSA-N 404.474 1.890 30 10 HDEE CC(=O)Nc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(F)cc1F 921156213 LGENSHNBPOLEOQ-UHFFFAOYSA-N 408.386 1.600 30 10 HDEE CN1CCN([C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c2ccccc2)CC1 1124650152 FZMUJRCIFHWHJT-SFHVURJKSA-N 409.494 1.045 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)C(F)(F)F)o3)CC2)nc1 1125314846 YNHBLFAUDXXVPM-UHFFFAOYSA-N 407.352 1.687 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)c1ccc(S(=O)(=O)N(C)CCOC)cc1 1128716873 QDDYRQZJQOGXLS-GOSISDBHSA-N 411.524 1.387 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CNC(=O)N2CCCC2)nc1C 1136667261 WONBQTCPHZOMAM-UHFFFAOYSA-N 407.525 1.929 30 10 HDEE Cc1sc(=O)n(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1-c1ccccc1 1144429110 MHMWHBYXADVBSU-ZPHPHTNESA-N 412.471 1.528 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(n4ccnn4)CC3)C2=O)cc1 1151703074 YQGAXHVSBQSDNZ-QGZVFWFLSA-N 407.434 1.218 30 10 HDEE Cc1cc(NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1S(=O)(=O)N(C)C 1157124013 GDRFUINIZYQASS-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(I)c1)C1CCOCC1 1192788684 PLBDSSISQSZGLR-CQSZACIVSA-N 405.257 1.998 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1198532474 AILBHAVRFYSMKK-IIAWOOMASA-N 401.410 1.526 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)CC1 1209262526 KJNKTXTUIATSEV-UHFFFAOYSA-N 412.537 1.322 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1212168403 GARYBMDBAHOHFL-MRXNPFEDSA-N 421.567 1.200 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 1214210195 OEFSCAYMNPHMCJ-MRXNPFEDSA-N 406.508 1.833 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 1224033315 QQHOBBFFVKRMJD-QGZVFWFLSA-N 419.547 1.777 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)nn1 1230272750 ZJIWHPNNNYFWLY-AWEZNQCLSA-N 424.427 1.887 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)nn(-c2ccccc2)c1N 1245997444 WZBWLYHTBRAOGM-MRXNPFEDSA-N 421.505 1.569 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)C1 1255362673 GAPNYSXVRXAGPF-SFHVURJKSA-N 414.941 1.913 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1Cl 1286396325 DMHKRIRMVKYMHL-CQSZACIVSA-N 405.911 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1286411129 ZHNSFIUUUCTPLD-LJQANCHMSA-N 424.526 1.374 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(OC)c1 1286442069 JKKKYVPQUZFYAZ-UHFFFAOYSA-N 407.478 1.577 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCOC(C)(C)C 1286457037 DFKFIBQOVBXWDC-UHFFFAOYSA-N 400.483 1.827 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](c2ccccc2)N2CCOCC2)CC1 1286478977 MWOHMQPBZLXDOT-OAQYLSRUSA-N 408.550 1.669 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286722138 DVOSOXANGVZXOX-UHFFFAOYSA-N 410.478 1.356 30 10 HDEE CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1286948432 WWNPPACCGSHTAD-UHFFFAOYSA-N 409.494 1.548 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)=O)ccc2Br)C1=O 1288136359 VGMZOJIIPQMXGD-UHFFFAOYSA-N 408.208 1.567 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2COCCO2)C1 1288974610 GKLARZSCUGEXOE-MGPUTAFESA-N 411.466 1.471 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(Br)c2OC)CC1 1297520037 KJFDGCZFUPMUHY-UHFFFAOYSA-N 412.259 1.104 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C1(c2ccc(C#N)cc2)CC1)C1CCCC1 1299207075 UJLYSRIXNYWOLP-GOSISDBHSA-N 404.536 1.661 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C#N)c(F)c2)c1 1299373498 YEKFWDLNFSWEOK-UHFFFAOYSA-N 405.451 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1300274709 YQFWUQKKZXYLPG-XHSDSOJGSA-N 417.535 1.913 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300493915 XDIAMQHEVQKAQE-KXBFYZLASA-N 420.560 1.751 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300800085 MIYOUEKEUAQWAX-OXJNMPFZSA-N 414.535 1.614 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1301414883 KZYBRIFTOMHFEK-UHFFFAOYSA-N 410.478 1.314 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1301429073 WKERMVCIOCVEHF-UHFFFAOYSA-N 401.471 1.298 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301477796 FKCSYUUYJQQMOH-WBVHZDCISA-N 402.543 1.836 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1301506057 GBJSHBZLQZVVDX-OAHLLOKOSA-N 401.442 1.310 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC(F)F)CC1 1301506746 QXTIQWHLHCWUQU-UHFFFAOYSA-N 422.455 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301596726 XGGFMTZEEPDWCJ-VQIMIIECSA-N 412.556 1.766 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1302095467 DQXMBAZWBRTXKM-MCIONIFRSA-N 421.420 1.698 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)C1 1303172341 DZFOZPIZPASXMO-ZWKOTPCHSA-N 410.526 1.832 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1303207469 YTQDBHSGIJCAQB-LQWHRVPQSA-N 420.533 1.971 30 10 HDEE CCN1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)(c2ccccc2)CC1 1304270430 FROUSYGPEATYKD-AZUAARDMSA-N 401.532 1.437 30 10 HDEE C=CCc1cc(CNC(=O)Nc2ccc(S(C)(=O)=O)nn2)cc(OC)c1OC 1311161836 ZPFRFCPJUMYFIE-UHFFFAOYSA-N 406.464 1.948 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC)CCOC1 1314136460 XHHGGLAPIVURQZ-PXNSSMCTSA-N 404.515 1.143 30 10 HDEE CN(C)CCOCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314672671 FFYDORJQRJCWBN-LJQANCHMSA-N 401.559 1.690 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1314870330 PPMWJXZTAXIPER-UHFFFAOYSA-N 420.464 1.867 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C)cc1 1318641831 QEIOJADVGIFGMW-QFBILLFUSA-N 413.455 1.591 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1320074718 NIJDZXNIVRGZMO-LJQANCHMSA-N 407.536 1.967 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1353655037 FHNDNBBOFCTMEB-UHFFFAOYSA-N 423.379 1.710 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1358872903 ZWYXKGNFMFZCFP-KHYOSLBOSA-N 405.524 1.254 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1358937613 BJTWJBDPRAJAAJ-KBPBESRZSA-N 410.569 1.322 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1358960394 DFJHRYJKTUUGHS-GDBMZVCRSA-N 420.564 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 1358994565 QGDBEDGBKAFCLI-MOPGFXCFSA-N 417.579 1.375 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3noc4c3COCC4)n2CC=C)n1 1359027631 PRVXENFZJDPFPW-UHFFFAOYSA-N 423.477 1.675 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1359048879 CURNOMIGVPITCE-CQSZACIVSA-N 415.585 1.118 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359203847 XINQYNYXHQXSIK-DLBZAZTESA-N 409.556 1.641 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439799148 XMMCZRAQVNJBLK-XJKSGUPXSA-N 408.277 1.260 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)ccc1OC 1443926316 LIVUNHVRQXYHIK-VLIAUNLRSA-N 402.451 1.761 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@@H](O)c2ccccc2F)cc1 1445781977 CKOPTVQBNLEEAI-OALUTQOASA-N 404.463 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCN(O)C1=O 1450156707 LWSUQSZGOCCDOR-CVEARBPZSA-N 400.435 1.499 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)s1 1450319538 YBPHVQKLQVROKJ-HOCLYGCPSA-N 424.548 1.525 30 10 HDEE C#CCO[C@@H](C)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1456394300 RFDJKFCPQPFGGB-HNNXBMFYSA-N 424.519 1.259 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)C2)c(=O)nc1O 1457198846 KIFQRVXNRKGIKN-UHFFFAOYSA-N 413.821 1.298 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 1461708694 CIJSVCOWKAYWMC-QGZVFWFLSA-N 406.504 1.638 30 10 HDEE CNS(=O)(=O)c1cccc(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1464086916 UMEASRAHWHIGJI-INIZCTEOSA-N 424.523 1.798 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)CNc3ccc(C#N)cn3)C2=O)c1 1465714324 AWDTVKALOORZKB-GOSISDBHSA-N 409.446 1.646 30 10 HDEE Cc1cc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1S(N)(=O)=O 1470021530 ADWGXOIDQNEIMU-GOSISDBHSA-N 414.487 1.797 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@H](CO)NC(=O)OCc3ccccc3)CCOCC2)c1 1470222575 IVYYATCAMYPUKS-FQEVSTJZSA-N 423.469 1.967 30 10 HDEE C#C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cn1)C1CCOCC1 1470785063 ZSYWYGCBBPDBDW-AWEZNQCLSA-N 409.284 1.302 30 10 HDEE C#C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cn1)C1CCOCC1 1470785064 ZSYWYGCBBPDBDW-CQSZACIVSA-N 409.284 1.302 30 10 HDEE CN1CC[C@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)[C@H](c2cnn(C)c2)C1 1471984294 SYSUGVVPKUALOA-UFYCRDLUSA-N 407.522 1.825 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)C1 1472628180 DIZHPSLKVSSHOO-UHFFFAOYSA-N 400.456 1.625 30 10 HDEE CCOC(=O)[C@@]1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 1473732854 XHZAHIAVTUENKC-OXQOHEQNSA-N 420.535 1.111 30 10 HDEE C#CCN(C(=O)Nc1cccc(Cn2nc(C)nc2C)c1)[C@H]1CCS(=O)(=O)C1 1476231157 QKAAXQNEBNVFSX-SFHVURJKSA-N 401.492 1.597 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)c(F)c1 1478935540 UGICGXRCGOVZSN-UHFFFAOYSA-N 422.404 1.506 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CC2)cc1 1479036366 JFENLDPNNPFJHI-UHFFFAOYSA-N 417.466 1.377 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2ccc(OCc3ccccc3)cc2)c(=O)nc1O 1479049057 FBPVUYDNMGISBX-UHFFFAOYSA-N 419.441 1.899 30 10 HDEE CCCNC(=O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1501220389 LQBFKTYPVVEGRV-UHFFFAOYSA-N 410.526 1.695 30 10 HDEE CN1C[C@@](C)(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1503674920 NJBKLZLAKMUYSE-AVRDEDQJSA-N 408.506 1.660 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507552901 ALPXLECTPHCXAS-CABCVRRESA-N 410.434 1.843 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507558112 BPKSSLQJHBYJRU-KRWDZBQOSA-N 409.494 1.843 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1507608885 UMFRPXIEXKNVBI-UHFFFAOYSA-N 407.425 1.965 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1507635713 UQVZMHCSILALQT-HNNXBMFYSA-N 406.533 1.082 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1507641169 ACPYHEJOXOFCIQ-QFIPXVFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@@H]1C 1507656275 DXGZGAPBQPTPGL-HRAATJIYSA-N 411.531 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCc2ccccc21 1507713213 ZWQRNNCIQAGMFW-GCJKJVERSA-N 409.490 1.149 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2ccnn2)CC1 1507720316 GAAFGZXBWZPEMM-UHFFFAOYSA-N 406.494 1.391 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(OC)CCOC1 1507811986 HKHHXITWOOVBPL-WMLDXEAASA-N 401.533 1.096 30 10 HDEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1507850881 CRWXTMNVQGZNLJ-GOSISDBHSA-N 417.535 1.577 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507875057 ZFCAKCLJLNRMKA-BBWFWOEESA-N 422.917 1.857 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507935099 KRRXTEUNYWIKRM-LSDHHAIUSA-N 401.471 1.855 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC=C(COC)CC1 1508140487 IMHZKYMIVOKFCB-QGZVFWFLSA-N 410.540 1.903 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508390285 WSFBFDCWSOYVHQ-MSOLQXFVSA-N 407.478 1.058 30 10 HDEE CC(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1509725278 BPLRGPBRHBJFBJ-KRWDZBQOSA-N 409.494 1.652 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1516990518 HMZCQWAKAGXGNZ-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1517840662 GEEVRWUIUMOERD-IAGOWNOFSA-N 415.494 1.532 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)OC 1518724406 DKSQTNXZRYELMO-IPMKNSEASA-N 424.505 1.726 30 10 HDEE COCc1nocc1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1518832566 BPTBZBBHJMKRDY-GOSISDBHSA-N 424.461 1.811 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 1520731917 MNSLGZFSRLYCAR-UKRRQHHQSA-N 417.514 1.882 30 10 HDEE C[C@H](C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)N1C(=O)NC2(CCCC2)C1=O 1521697720 RUEZLCWCGRNCGA-CQSZACIVSA-N 420.473 1.828 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1525109340 KWXSKMOBPJEJPL-MRXNPFEDSA-N 404.422 1.966 30 10 HDEE CC(C)(CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1528821999 HLSWXSUCGJLOKL-HNNXBMFYSA-N 420.491 1.093 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1 1531182627 UQTGOROTOQDRII-SFHVURJKSA-N 413.474 1.988 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3coc(C#N)c3)cc2)CC1 1531447933 HCJDUBAWWASZRJ-UHFFFAOYSA-N 403.416 1.088 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531978031 LBGMGYLWEFPNND-XOBRGWDASA-N 415.519 1.769 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1535552603 JPQARFZUPOLKBS-YJBOKZPZSA-N 418.291 1.838 30 10 HDEE COc1ccccc1-c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(O)n1 1536179329 HQLBPODHPWLWEJ-RBZFPXEDSA-N 413.455 1.473 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccnc(-n4cccn4)c3)C2=O)cc1 1537785856 DIWZATDSSJVLKJ-KRWDZBQOSA-N 415.413 1.983 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H](c3ncccn3)C3CC3)C2=O)cc1 1538358162 SWUIRBGLYRHHBQ-FUHWJXTLSA-N 404.430 1.821 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1538540097 REXIRNKNZIIOKQ-NHYWBVRUSA-N 415.334 1.938 30 10 HDEE N#C[C@]12CN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1538760809 HENFWOLRDINQKT-CQKVTUKBSA-N 407.536 1.248 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1539021506 JWXJFOUTBNJFKV-KRWDZBQOSA-N 424.530 1.700 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539087711 YFXKVVJRYLCRRY-FXAWDEMLSA-N 424.567 1.747 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCOC[C@H]1C 1539245895 LSJWCOLCMAWWBW-GOSISDBHSA-N 423.517 1.756 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1539432154 YFPBQHDPWZCGCB-UHFFFAOYSA-N 401.603 1.357 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)CC=C)CC1 1539444880 XAYXJNCJHPRKAV-UHFFFAOYSA-N 417.510 1.440 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)CC2CC2)CC1 1539854398 PJJRUPRDUZEAMU-UHFFFAOYSA-N 407.540 1.382 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCS(=O)(=O)CCO2)cc1C 1539994566 ZCLFMPXUBPILRS-UHFFFAOYSA-N 402.476 1.883 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O)C1CC1 1540107438 AXPSHPHRMOQNQD-MRXNPFEDSA-N 417.535 1.565 30 10 HDEE N#C[C@@H](NC(=O)CCn1cnc2c(N)ncnc21)c1ccc(Br)cc1 1540752431 DCRWLAXBYLWXTR-GFCCVEGCSA-N 400.240 1.942 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1C(C)(C)C 1540908779 NSXAYZPTWPNWIJ-CYBMUJFWSA-N 406.574 1.046 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1543554524 CCTLQVUINXXLOO-KRWDZBQOSA-N 416.526 1.447 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C/CN2CCOCC2)c1 1544409341 NPFOXPBDFWXVFI-GOIJFPJBSA-N 406.508 1.326 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(F)(F)F)CC(=O)OC)cc1 1545375174 IVUDWVFQKCJPEF-UHFFFAOYSA-N 406.382 1.166 30 10 HDEE CC[S@@](=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1552434711 KNBDEVPOZNZIJB-GDLZYMKVSA-N 413.551 1.907 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1)OC 1555252193 WPNQYOGFYQNRJK-UTKZUKDTSA-N 410.478 1.195 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)Nc2ncccc2C)s1 1556929202 JDDHMCSUZZYGJV-UHFFFAOYSA-N 422.532 1.603 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1 1557309511 ZAYCMQPUYACOCI-AWEZNQCLSA-N 402.447 1.549 30 10 HDEE C=CC[S@@](=O)(=NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1ccccc1 1558718981 WSINYKOUQLKXPO-SANMLTNESA-N 415.537 1.060 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)cc1F 1561746450 ABMAWMJMPKBQMZ-VQTJNVASSA-N 401.463 1.971 30 10 HDEE C=CCCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nn1 1583196436 LZALONZRLXHPPF-UHFFFAOYSA-N 419.507 1.400 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1585925443 ROUVSKYQGHMWPI-HTAPYJJXSA-N 419.522 1.248 30 10 HDEE COC[C@@]1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1587446016 JKOZTYJRFOOTPP-OXJNMPFZSA-N 400.435 1.027 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC(=O)N2)c1 1587689149 CEZZPCKENDYBRX-QGZVFWFLSA-N 417.473 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1588813765 ZYMQNHCBOWKOIA-HBMCJLEFSA-N 414.598 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2OCCC2(C)C)CC1 1588923754 LGEGFZOJDQAUOO-GOSISDBHSA-N 423.521 1.516 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589557381 HQBMUCYPFJLEGC-RXVVDRJESA-N 416.570 1.422 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N2CCCC2=O)CC1 1595523357 UZDLHVVQUXCLMH-UHFFFAOYSA-N 409.494 1.234 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1595570036 VDLAAAQUBXSTIT-IBGZPJMESA-N 416.570 1.472 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(CC)Cc1cnn(C)c1 1595798554 QGXVOZMOOARKTI-KRWDZBQOSA-N 422.555 1.881 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595837740 CGZPWNHFBCIOJH-ZBFHGGJFSA-N 420.583 1.831 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1608371251 JYSYTUKWUKZKKN-FQEVSTJZSA-N 402.451 1.819 30 10 HDEE Cn1c(=O)[nH]c(N2CC[C@@]3(C)[C@@H](C2)C3(Br)Br)c(C#N)c1=O 1612603734 CVVJONQIGIWFPW-PELKAZGASA-N 418.089 1.278 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1613025625 FNWXUNFYCZEABC-JBBXEZCESA-N 406.849 1.975 30 10 HDEE CCN1CCN(C[C@H](C)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1615911206 BKUJRLGFSJNGOX-QZTJIDSGSA-N 409.575 1.963 30 10 HDEE CCOCc1nnc(N2C[C@H](CC)[C@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1616741366 OEDOWWOQFNGXER-QFBILLFUSA-N 414.510 1.875 30 10 HDEE CCc1c(C(=O)NC(C)(C)c2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 1617387060 ZXAMUXDLRZKHPS-UHFFFAOYSA-N 405.458 1.731 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1618324247 XXUIZDKEPZZAOW-MSOLQXFVSA-N 421.475 1.293 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N(C)C)cc1OC 1619210548 DVQKKPVYSGPQNE-HNNXBMFYSA-N 414.466 1.169 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1619210776 IXVXSIBOSPFQMC-MOPGFXCFSA-N 413.478 1.878 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619620440 SPQMHNMZDOUZNM-VSZNYVQBSA-N 412.469 1.957 30 10 HDEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1620222409 BOPAADWQUMDMHH-UONOGXRCSA-N 411.553 1.195 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)C1=O 1620564237 DNQGZEGIZGVIII-BDXSIMOUSA-N 416.547 1.857 30 10 HDEE C#CCO[C@@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 1622536410 NCURULIWZCZDAK-AAEUAGOBSA-N 403.216 1.185 30 10 HDEE Cc1c(C(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cnn1CCC#N 1623287135 HAWKPJMYEKLPDG-UHFFFAOYSA-N 410.478 1.653 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1624137322 HACZIXVGWJZQTQ-VXGBXAGGSA-N 405.212 1.144 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)nc1 1625099417 QQSGUODQCCZPSG-UHFFFAOYSA-N 403.442 1.900 30 10 HDEE COc1ccc(C=O)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1625121693 ZPKSWPQCNTVWAL-UHFFFAOYSA-N 413.455 1.526 30 10 HDEE CCCNC(=O)c1ccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)cc1 1625223130 FMMWPBIVJIVILF-UHFFFAOYSA-N 401.423 1.472 30 10 HDEE COC(=O)Cc1c(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)[nH]c2ccccc12 1625299183 GOLUYVRZEMSFMV-UHFFFAOYSA-N 420.473 1.759 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCn1nc2n(c1=O)CCCC2 1626008770 JECITHGUFRIVTB-OAHLLOKOSA-N 420.514 1.475 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3ccc(C)c(C)c3)CCOCC2)CC1 1627014964 HSTJTVVHOCJSHB-UHFFFAOYSA-N 411.546 1.635 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1ccc(F)cc1 1627743386 CJQVJQXEXDDYTF-AUUYWEPGSA-N 417.462 1.964 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(C(=O)C(OC)OC)CC2)CCCN1C(=O)OC(C)(C)C 1632562222 KVSJBCQJCBUGDB-NRFANRHFSA-N 423.510 1.069 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](C[C@@H]3CCOC3)c3ccccc3)C2)c(=O)nc1O 1633316966 CRKCXEXDMDNTPW-KSSFIOAISA-N 409.446 1.555 30 10 HDEE COC(=O)[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1 1636217970 QNABTMXLBWSUCF-GASCZTMLSA-N 410.478 1.818 30 10 HDEE C#C[C@@H](NC(=O)N1CCS(=O)(=O)C[C@H]1CCO)c1ccc(Br)cc1 1636563189 UOWXZAIYRGKTRG-HUUCEWRRSA-N 415.309 1.314 30 10 HDEE COc1ccc2c(c1)CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CCO2 1637246281 PUWVJXMTYPMCIS-UHFFFAOYSA-N 415.471 1.840 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cccc(OC3CC3)c2F)c1 1638905533 SUCUHSBHDIIHPA-UHFFFAOYSA-N 403.435 1.833 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Nc2ncccn2)C1 1638962039 RKYJLJFBYFFPDL-AWEZNQCLSA-N 414.491 1.008 30 10 HDEE C[C@H](CC(=O)N1CCc2cc(Cl)nnc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1638989160 ILPPLAUSTUMGAT-LLVKDONJSA-N 419.894 1.532 30 10 HDEE CC(=O)N1c2ccccc2C[C@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639049688 JKBVDWJVYIQQRO-IBGZPJMESA-N 407.426 1.868 30 10 HDEE N#Cc1csc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 1639618825 FULUBYBJIXYWGG-UHFFFAOYSA-N 422.488 1.161 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CSCC(N)=O)c(C(=O)OCC)c1C 1641205998 XSAAKWITCXNHSE-UHFFFAOYSA-N 400.478 1.733 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@]3(N(C)C)COc4ccccc4C3)CC2)c1C#N 1641801921 OIWKAHUHYNNVLC-OAQYLSRUSA-N 411.531 1.907 30 10 HDEE CNC(=O)NC[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 1643861978 YOHRRPDKKVDPTM-ZIAGYGMSSA-N 419.551 1.703 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)c1 1646012469 ZZCCSBCKPYOJCG-IBGZPJMESA-N 414.483 1.759 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cc(C)c(C#N)cn2)CC1 1653737786 QYMQFYYMSUWNRD-OAQYLSRUSA-N 405.502 1.767 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)c1 1654710210 ZTPJHKGFGGKEQY-LJQANCHMSA-N 415.471 1.810 30 10 HDEE C#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1669218428 UJOOFCXUSXIGPT-UHFFFAOYSA-N 400.460 1.406 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OC 1671562132 UDNOMZYASVASKW-HNNXBMFYSA-N 413.448 1.436 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)C1 1681072099 TYFTYILKVIBLLN-MBSDFSHPSA-N 423.517 1.808 30 10 HDEE C=CC1(CC(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1686258074 KUSOOPWBUHPNJS-DFBDCSAJSA-N 403.523 1.794 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCC[C@@H]3CCCS3(=O)=O)CC2)cc1 1687453120 NNTAOWSNEIWQKP-IBGZPJMESA-N 404.536 1.743 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)N(C)C 1689840083 SCKNSKSCCCEWBH-BEFAXECRSA-N 405.510 1.719 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)ccc1N1CCOCC1 1689963081 ZGJIKGADFSHLBY-KRWDZBQOSA-N 412.469 1.323 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCc2nnc(C)s2)CC1 1690144413 YKFFWVUOFBEJGK-UHFFFAOYSA-N 413.551 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccncc2)CC1 1690146430 NKFKRYBZXOSODO-IBGZPJMESA-N 408.506 1.386 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1 1690255687 VAFTVCBSKZBQMV-MRXNPFEDSA-N 409.556 1.741 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1690346531 VYCOPKMPEBHYMF-CQSZACIVSA-N 423.930 1.049 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1690394700 IPGQCTPDBRTZOX-MRXNPFEDSA-N 409.556 1.786 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690532508 PJZBXGQRUWYQCJ-CALCHBBNSA-N 404.559 1.911 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CCC)C2)nnc1[C@@]1(OCC)CCOC1 1690678351 TXQAXEPCNSBVAG-OXQOHEQNSA-N 407.515 1.238 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCCn2cc(CO)nn2)C1 1690706776 KJZKUUMLUWRORH-QGZVFWFLSA-N 403.531 1.822 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1690751168 WOVUVKRJGFRCKA-HNAYVOBHSA-N 409.556 1.516 30 10 HDEE CCN(c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1695566173 FVVZQYCVXDNDIJ-VHEBQXMUSA-N 415.498 1.162 30 10 HDEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1697991474 XYSQGAIOONKBTJ-QGZVFWFLSA-N 403.531 1.328 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705699538 IJRLQEKTUJWFCH-OREBXVKISA-N 419.526 1.451 30 10 HDEE CCOCc1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1710651997 AJPQPXPKWRFNQX-IJYGLTAASA-N 418.498 1.204 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1722353966 GMSRSMNZZHIWLS-UHFFFAOYSA-N 424.530 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@H]2CCCO2)CC1 1722437864 KQHIYJGQRCRWGY-HXUWFJFHSA-N 424.549 1.989 30 10 HDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](O)C1)c1ccccc1 1722539371 OGPFTMVYFWWNNA-HFTRVMKXSA-N 419.551 1.809 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722600962 SSIKGJXPFQUENH-LSDHHAIUSA-N 401.471 1.855 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1722608473 DXZKWFZAJZPSNA-SNRMKQJTSA-N 409.556 1.861 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722737915 VLCKVYBGBWPTNM-KRWDZBQOSA-N 417.583 1.756 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1728648130 FFCBCUJZCYGCFN-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1728759710 BUPQDNRAHYDWRC-UWJYYQICSA-N 418.542 1.929 30 10 HDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1729137050 DUJWULWRIABYFH-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE COCCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1730716007 CENXLJOTZSRVQE-ZPHPHTNESA-N 414.441 1.693 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1731187899 CBRJHXUPPAGJTN-INIZCTEOSA-N 408.466 1.458 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740617663 VBKPYDRLQXJDIA-KURKYZTESA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622171 ADTWIKULYNOZLV-GOSISDBHSA-N 405.568 1.658 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)CC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740631372 QXDCIRCMURNYLR-VPAKFMSCSA-N 405.502 1.672 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1740641904 IASMWPINHVOOIF-NRFANRHFSA-N 406.534 1.694 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740677711 OFWIOABHSNFEDY-QGZVFWFLSA-N 405.499 1.647 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C(N)=O)cc2)CC1 1740702784 XMOYMJAIGQBASJ-MRXNPFEDSA-N 422.533 1.905 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740886211 ZKYOBYCVOBZXSK-FGTMMUONSA-N 403.527 1.822 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740946317 HZOSRGMONRYUPS-SFHVURJKSA-N 424.505 1.315 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1740960782 AQIWQDYCMYBVJJ-BTYIYWSLSA-N 418.542 1.882 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@H](OC)C1 1740996470 NIMRHLHRFLBESH-SOUVJXGZSA-N 417.601 1.669 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1744867655 NYAQKHGSSYGFLB-OTWHNJEPSA-N 420.558 1.995 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1747538059 DGUXXORCRNGCIV-INIZCTEOSA-N 418.885 1.718 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748710263 LJFBFIIQRWBNPO-QGZVFWFLSA-N 421.505 1.390 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748710542 SQAIXFKTPALDPU-ZWKOTPCHSA-N 411.510 1.443 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748818445 ZUQSVOOZNGSSSB-NCOADZHNSA-N 410.515 1.547 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749226463 QHVBNOAARGYNKL-DLBZAZTESA-N 413.526 1.939 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749226466 QHVBNOAARGYNKL-SJORKVTESA-N 413.526 1.939 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749391879 UQJGCIJDHGTRTK-JKSUJKDBSA-N 424.571 1.446 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1749424554 JHVUTOBJFZVVMY-CQSZACIVSA-N 409.494 1.858 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1749633973 CCTYBGZUALCHLQ-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)NC(C)C 1749655099 CSPDVJMKMCNLBR-UHFFFAOYSA-N 400.483 1.217 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1750523733 AEKVFIQOIQXKQH-JYYAWHABSA-N 402.499 1.204 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1760130272 GTXHWBPCHJCSJC-CQSZACIVSA-N 408.528 1.933 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760135648 DEOQRUQUECWYTL-UHFFFAOYSA-N 423.521 1.348 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1760147772 YCGPOYKPBRPROB-HNNXBMFYSA-N 415.519 1.429 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN(CC)CCC(F)(F)F 1760160425 DAFGGESRMVAUPJ-UHFFFAOYSA-N 400.449 1.858 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCOC1 1760252474 GCXMKUQDGPYZKE-INIZCTEOSA-N 417.535 1.782 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1CC 1760253473 QLNJGBANQQSCLE-SJLPKXTDSA-N 415.542 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)C(C)C)CC1 1760267879 DMINKEHQISTEKH-UHFFFAOYSA-N 422.533 1.683 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1760276037 RBZMZKIBILNZCK-UHFFFAOYSA-N 421.504 1.455 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1760402464 ZBEOZTYHBWBSOI-QGZVFWFLSA-N 424.567 1.862 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 1760428581 ZABDXQLSKLWLLC-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760437809 ONURCBHWMIPARV-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760519684 LUANCQXVKDMFKH-MRXNPFEDSA-N 403.508 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1760558628 VMSXICSVWDLEEE-LPHOPBHVSA-N 412.556 1.910 30 10 HDEE C=CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1760569068 BNEOBKACDZCXJL-UHFFFAOYSA-N 412.519 1.974 30 10 HDEE CC(C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1760937513 IAYWNJSTCFTQTF-OHTQGHCMSA-N 402.499 1.932 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCOC2)CCOC1 1761287440 PSEXQFFOLVWNGR-WOJBJXKFSA-N 405.499 1.210 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCSC1 1761492316 BUELGGGMSWUMKU-JJRVBVJISA-N 412.585 1.771 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1763088191 MJUKARGUEXAFAR-LPHOPBHVSA-N 423.521 1.062 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1767508502 QKVKJNNMVLCQHA-OXJNMPFZSA-N 414.441 1.203 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCOCC(F)F)cc1 1770740813 OCXKPDMSMFPFKE-UHFFFAOYSA-N 420.420 1.337 30 10 HDEE N#Cc1ccc(-c2nnc(N(CCCCO)C3CC3)n2CC(=O)N2CCOCC2)cc1 1771532187 RGTOLDUFJBPBIG-UHFFFAOYSA-N 424.505 1.417 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@@H](C#N)CC2=O)c1C 1848781017 CTYSADVNFAAWFF-IAGOWNOFSA-N 403.504 1.972 30 10 HDEE COc1cccc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1849998305 ZABJCTZWYLHKSZ-UHFFFAOYSA-N 414.483 1.498 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)NCC#CCN1CCc3ccccc3C1)CS2 1850325389 HRMRVKVQSSXCBY-LJQANCHMSA-N 408.527 1.452 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852052752 KMUHBVANCFBVDQ-UHFFFAOYSA-N 401.370 1.966 30 10 HDEE COC(=O)[C@@]1(NC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CCOC1 1852608594 ICQPWZQQQCCUDJ-QGZVFWFLSA-N 408.336 1.825 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@H](C#N)C2)c2ccccc2)cc1 1852748108 ASUAJVMBNFCMHD-MJGOQNOKSA-N 415.471 1.466 30 10 HDEE C#CCN(C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C)[C@H]1CCc2ccccc21 1853121654 VNZZRTOHCRMNSA-IBGZPJMESA-N 414.531 1.900 30 10 HDEE N#Cc1cccnc1N1CCN(CCOCc2cn(C3CCSCC3)nn2)CC1 1853187019 YWWBVQOAVZDGIC-UHFFFAOYSA-N 413.551 1.952 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2cccc(OC)c2)C1=O 1853683051 RJJXMKXEKSZGHR-MOPGFXCFSA-N 415.490 1.310 30 10 HDEE COc1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1F 1853947652 XXPNBDAMTRMFQO-AWEZNQCLSA-N 406.391 1.867 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CN([C@@H]3CCN(C4CC4)C3=O)c3ccccc32)ccn1 1854016387 CTALZOKSAQSQOX-LJQANCHMSA-N 401.426 1.710 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CSc2ccncc2)C1=O 1854131804 SAUWVBNNTWKUAG-MSOLQXFVSA-N 416.547 1.800 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1854178308 SWNURUQSGVAWAJ-MSOLQXFVSA-N 401.507 1.784 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C)nc2C(F)F)CCN1CC(=O)c1ccc(C#N)cc1 1855188820 AYUBAGUWRSTYDU-LBPRGKRZSA-N 415.400 1.785 30 10 HDEE COCc1cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)n(C)c1 1855258471 WOBJUXKGWBTFGG-OAHLLOKOSA-N 405.432 1.205 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN([C@H]3CCN(C4CC4)C3=O)CC2=O)c1 1855494672 YWIRNTSONLPLBF-KRWDZBQOSA-N 400.866 1.454 30 10 HDEE CCOc1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)nn1 1855976164 VDNDCWJELFRRAH-OAHLLOKOSA-N 409.446 1.499 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2ccccc2F)C1)C1CN(c2nccnc2C#N)C1 1856231419 HEZAQRSOZDBYBZ-CQSZACIVSA-N 408.437 1.297 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC[C@@H]4CCCO4)C(=O)C3)C2)s1 1856327026 PHSGZHFCGDJHRU-IRXDYDNUSA-N 416.547 1.824 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1=O 1856723804 XBQTXLWLSOJGHS-CVEARBPZSA-N 415.519 1.175 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C1(C)C 1856746236 KTSFVNRXZJKZDG-CYBMUJFWSA-N 404.902 1.708 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)COc2ccc(OC)nc2OC)C1 1857002492 ONJWPCAQPCOQDV-HOTGVXAUSA-N 403.479 1.893 30 10 HDEE CCOc1ccc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1857101589 QXIVJUXPPWFUGO-QGZVFWFLSA-N 407.430 1.251 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@@H]1CCN(C)C1=O 1857282267 UZBBXDZEMDVOJQ-HZPDHXFCSA-N 404.536 1.396 30 10 HDEE CCOC(=O)N1CCC(NC(=O)[C@@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)CC1 1858110935 APZBCTJTODVBAL-AWEZNQCLSA-N 422.507 1.673 30 10 HDEE Cc1ccc([C@@H](C#N)NC(=O)[C@H](C)NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867601022 JDFYPYHKHWHGNM-KBXCAEBGSA-N 414.487 1.866 30 10 HDEE C=CCn1cc(OCC(=O)OCCCCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870419351 VDDQOJLPBRCPPI-UHFFFAOYSA-N 419.522 1.811 30 10 HDEE C#CCOc1cn(CCOC)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870559735 PCRYFIZVQMOYKN-UHFFFAOYSA-N 411.502 1.838 30 10 HDEE C=CCOc1cn(CCOCCO)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1870813119 XJRZJVZIFNQJHQ-UHFFFAOYSA-N 401.463 1.993 30 10 HDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN(CCO)CCO)nc1-c1ccccc1 1872799237 FODGYBCMZLFQKM-HNNXBMFYSA-N 417.487 1.450 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccn(C)c3=O)CC2)CC1 1889257076 ADWOPIKUGOLHLU-UHFFFAOYSA-N 414.550 1.036 30 10 HDEE C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)NCC#CCN4CCOCC4)cn1c23 1889863874 QRUYPVNYCGXJLM-ZDUSSCGKSA-N 417.412 1.299 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCC(=O)O)s1 2123862676 LWZZGQPTVOCOOW-VIFPVBQESA-N 400.482 1.960 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCC23CC(C#N)(CO2)C3)C1 2181148859 XIJJKCMBGLDMPU-UGCZDOJFSA-N 413.474 1.992 30 10 HDEE Ic1cn(CCN=C2NC[C@@]3(CCCOC3)CS2)cn1 2237122726 KTISNHFSBKCXJO-CYBMUJFWSA-N 406.293 1.977 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247827195 AVJKRNJIHVMIFW-KGLIPLIRSA-N 420.319 1.885 30 10 HDEE C[C@H](CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2281831245 VTLRUSNAYDTSGZ-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CCn1cc(C(=O)N2CCC(C3OCCO3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282034944 ORZAFZQUOPTLHF-UHFFFAOYSA-N 405.304 1.427 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282063555 NJHXSLOBEGZGLD-QYOLQKOISA-N 400.375 1.965 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@@H](C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282307048 WIGCYFPLZASTPL-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(CO)CC1 2282322730 QEPKSAUKEPHODW-UHFFFAOYSA-N 401.359 1.797 30 10 HDEE CC1(C)C[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340152 BWCXHORBRLWGQY-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE COC[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282496134 WHLUBPFJXFSYBN-TXEJJXNPSA-N 402.347 1.287 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2282508518 XLMFEGMKHKYNQL-VWLOTQADSA-N 401.359 1.341 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282509214 IDYDPQOVIWLMQD-GFCCVEGCSA-N 403.379 1.202 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282510792 DSZYFYAHWCPRFL-RUZDIDTESA-N 406.310 1.388 30 10 HDEE CO[C@H]1CN[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282617076 DCIQFSNDANCNAO-GHMZBOCLSA-N 400.737 1.807 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@]4(O)C[C@@H]4C3)cc2Cl)OC1(C)C 2282827720 CFEGVOLOFXSCHX-QLJPJBMISA-N 419.761 1.846 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@](F)(CN)C3)s2)OC1(C)C 2282852597 REALZLFJWSWQKC-AITUWYQGSA-N 404.338 1.403 30 10 HDEE CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867057 SPDRRYDHUSFKJT-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(C)CSCCO2)OC1(C)C 2282869656 GIWXQHKBZMIVDJ-INIZCTEOSA-N 419.399 1.848 30 10 HDEE CN1CC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869660 GMIOJIBIRTYAPE-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1O 2282877358 QHOLWKVXEOQVIN-AWEZNQCLSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](C(=O)O)C2)OC1(C)C 2284398574 ZJXNOYGUVCIVHQ-LLVKDONJSA-N 401.315 1.284 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@H](CC(=O)O)C2)OC1(C)C 2284401608 BVQURRQYGVJZLH-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404331 YIUKBZRTMBRJCQ-LLVKDONJSA-N 403.331 1.682 30 10 HDEE CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284405026 FKOJWVZDNCVOMC-ZDUSSCGKSA-N 403.331 1.777 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)O)C3)c2)OC1(C)C 2284410779 WNLHSPBKJVHDJF-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE COC1(C#C[C@H](O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363630433 USUXJEWLFBJKCU-CVEARBPZSA-N 401.525 1.734 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(COC)CN(C(=O)OC(C)(C)C)C1 2365209589 HNRCZJWTERUQQG-OAHLLOKOSA-N 402.557 1.675 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365214095 ZQOUQEFUGHRSCF-BZUAXINKSA-N 404.573 1.703 30 10 HDEE Cn1cc(C#C[C@@H](N)[C@H](O)c2ncc(Br)cc2Br)cn1 2366118390 LEGQGQINKIARFY-YPMHNXCESA-N 400.074 1.753 30 10 HDEE CC(C)[C@@H](CO)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2367029362 CECNZJGPUOHVGP-CYBMUJFWSA-N 404.363 1.221 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCOC)NC(=O)OC(C)(C)C 2367789626 DKSMLYCHDIRKET-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(COC)CN(C(=O)OC(C)(C)C)C1 2367794081 YLSNFUKUHXGAPD-HNNXBMFYSA-N 400.541 1.429 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)CN(CCOC)C(=O)OC(C)(C)C 2367794354 HGVLUSBWSTWYJC-MRXNPFEDSA-N 402.557 1.819 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2ccc(C#N)c(N3CCC[C@@H](NC(=O)CC)C3)n2)C1 302880566 IKULRVSHTZOWFK-ZWKOTPCHSA-N 412.538 1.943 30 10 HDEE C[C@@H](C(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1)n1cnc(C#N)n1 409650558 UZBGIRSDEMMSNI-INIZCTEOSA-N 412.494 1.517 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCOc2ccc(C#N)cc2)cc1 461201599 OMTOQSTTWXLAGJ-AWEZNQCLSA-N 403.460 1.429 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CCCC1 462681702 BKHZSSSOOXAHFU-SFHVURJKSA-N 405.520 1.460 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C(=O)OC(C)(C)C)C3)CC2)o1 464591571 KSLUENKKWZUBDF-INIZCTEOSA-N 417.510 1.557 30 10 HDEE CCOC(=O)CC1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCC1 469102647 ZDWHPTGCSKMUMA-AWEZNQCLSA-N 407.492 1.607 30 10 HDEE COC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 471926130 ZQRKHULJCVULPK-AWEZNQCLSA-N 403.254 1.539 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3cnc(C)c(C#N)c3)cn2)CC1 489108210 NCZBGHUOGTWXJQ-UHFFFAOYSA-N 400.508 1.277 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCC(C)(C#N)CC1 506036067 LNWWPNBOLKTMRI-MRXNPFEDSA-N 420.535 1.660 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1 506185326 AGLSEKDMIFLEEP-SFTDATJTSA-N 414.462 1.619 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(CC(=O)Nc3ccccc3)CC2)c1 513784545 TZPSTNJPYGGGKJ-UHFFFAOYSA-N 412.515 1.588 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C1CCN(C)CC1 517982955 GXEDKFBAHZNWAL-UHFFFAOYSA-N 424.570 1.452 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 522838452 IBMNMAHZSPOMMF-UHFFFAOYSA-N 404.427 1.094 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 524494625 JSHSIKDKHXLHDL-HNNXBMFYSA-N 420.510 1.403 30 10 HDEE COC[C@](C)(CNC(=O)Cc1cccc(C#N)c1)NC(=O)Cc1cccc(C#N)c1 531385474 CGJSPERCQQHRPO-QHCPKHFHSA-N 404.470 1.853 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 533151741 BAPPBZHLRDHZRF-LBPRGKRZSA-N 402.414 1.561 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(N)=O)c3ccccc32)cc1 534780187 HZGFQCVIQQAVCW-KRWDZBQOSA-N 412.471 1.498 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 544611565 UEEPQZNEBOTTAN-HNNXBMFYSA-N 402.538 1.385 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 546736440 OZHFHSANXSHYST-UHFFFAOYSA-N 422.507 1.662 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)NCCOc3ccc(C#N)cc3)cc2CC1 551512324 DXRDJMOAJQUBOJ-UHFFFAOYSA-N 413.499 1.863 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCOCC3)cc2C)CC1 605409167 LOIHSDXTMUPUFI-UHFFFAOYSA-N 401.511 1.283 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(Cl)c1 615488968 LQJCPSLKRNICLI-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC(Oc4cnccn4)CC3)CC2)nc1 618810181 XGOFBQCXFMOURV-UHFFFAOYSA-N 407.478 1.965 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 619831749 JJRUXQKSUQYINX-UHFFFAOYSA-N 413.482 1.794 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669808855 GWWKFOYOAJAZCM-AOIWGVFYSA-N 420.558 1.177 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 729334844 WOIWBYDHBQYTSG-PKOBYXMFSA-N 417.531 1.888 30 10 HDEE C#CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 729335159 IYAJKFOLSLSMBX-LBPRGKRZSA-N 414.277 1.483 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c(F)c1 729835391 MEMSOERKSRANOW-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 732143305 IQTPIALKTOKDLM-OAHLLOKOSA-N 409.508 1.890 30 10 HDEE COc1ccc(Br)c(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732448176 GLBHPFROZGMQAC-NXVVXOECSA-N 423.267 1.783 30 10 HDEE C[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 750050419 KJHJOUJJDDLUST-CLZYOGPISA-N 422.485 1.194 30 10 HDEE COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 753559902 RFTVYPACFLPURU-ZDUSSCGKSA-N 402.476 1.549 30 10 HDEE COC(=O)CCSc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 756780666 QTTXEVKIRPPGPQ-INIZCTEOSA-N 416.503 1.479 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCCN(c3ncccn3)C2)C1 758385680 VXKVODSAWOQVAV-JYJNAYRXSA-N 415.498 1.504 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 763707752 XUTVHHUVNRJPQW-NRFANRHFSA-N 415.413 1.545 30 10 HDEE CO[C@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(O)cc1 764595694 BAWSXRLTWDKXKY-SFHVURJKSA-N 414.418 1.140 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 771074378 LNHKCLCEMHTALI-CYBMUJFWSA-N 413.521 1.180 30 10 HDEE C#CCN(CCc1nc(N)c2c3c(sc2n1)CCCC3)[C@@H]1CCS(=O)(=O)C1 772197661 BLUBLTBVAIWDMB-CYBMUJFWSA-N 404.561 1.817 30 10 HDEE Cn1cc(/C=C/C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C)c1=O 773361618 WIFVLSFLRQLHIT-VAWYXSNFSA-N 400.438 1.952 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 779617794 NRHPVPXKRCOCPN-UHFFFAOYSA-N 404.319 1.190 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@H]1CCCO1 783942100 HYKKNAZOCWJLEA-OAHLLOKOSA-N 409.496 1.363 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)N([C@H](C)c3ccccc3)C2=O)n1 788365481 HUMXNXWNUKSORG-QGZVFWFLSA-N 423.473 1.474 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3nc(Cl)cnc3c2)n1 788695051 BPIMLYLEEHVNHA-UHFFFAOYSA-N 419.894 1.950 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2csc(N3CCCC3)n2)n1 789040926 KVUBLNAJAAOIME-UHFFFAOYSA-N 416.551 1.974 30 10 HDEE CNC(=O)c1cc2cc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)ccc2[nH]1 792353908 YYWINDUCYWMTCK-UHFFFAOYSA-N 405.414 1.663 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cnccc3C#N)CC2)C1=O 793672097 GGWORXJCDGPWKY-JOCHJYFZSA-N 404.474 1.890 30 10 HDEE C=CCOCC(=O)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 800467844 ZUBKRJNRYLNMTP-UHFFFAOYSA-N 408.661 1.758 30 10 HDEE COCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C)(C#N)CC1 802544917 PJSRODKTQGVXTE-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 805147147 SLUVITDEZPHELA-QGZVFWFLSA-N 414.549 1.342 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)C(OC)OC)nnc12 816615267 RSGMRGBHORMMDG-LBPRGKRZSA-N 417.491 1.446 30 10 HDEE CC[C@]1(C)NC(=O)N(CC(=O)O[C@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O 913708420 HXTADCSXILNSCP-YFXGLOOTSA-N 406.483 1.569 30 10 HDEE Cc1nn(C)c(C)c1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 914767678 RBCLUOFKVGVOKA-UHFFFAOYSA-N 403.508 1.215 30 10 HDEE CCN(CC)c1ccc(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)cc1 1084632453 WXADWUSNYUEEKH-UHFFFAOYSA-N 414.499 1.946 30 10 HDEE N#Cc1cccc(C(=O)NCC2(N3CCOCC3)CCOCC2)c1Br 1129556790 XKYSQRWRONXZSZ-UHFFFAOYSA-N 408.296 1.932 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(CC#N)cc2)C1=O 1130371914 IDLPFLMKCFZGSG-JOCHJYFZSA-N 406.442 1.845 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)n1 1157027249 MMIOELRXKQHPTK-UHFFFAOYSA-N 411.443 1.943 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1175918256 XHGGLJYSLMFGSF-CQSZACIVSA-N 404.529 1.244 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccccc2C(=O)OC)s1 1178959835 MDVSCNPOMSVTDW-UHFFFAOYSA-N 422.528 1.900 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)co1 1179886838 YBXJDROZYUMGFO-CQSZACIVSA-N 419.459 1.115 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1187461588 ZQFQRYGIQSTROT-RTBURBONSA-N 404.488 1.311 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)c1 1191746974 GNXMSRKLRXRQAS-SFHVURJKSA-N 423.535 1.154 30 10 HDEE Cc1sc(NC(=O)CN2CCc3c(cccc3S(N)(=O)=O)C2)c(C#N)c1C 1197219696 AACSTQYAHWDWKW-UHFFFAOYSA-N 404.517 1.881 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nnc3n2CCNC3=O)cc1 1199059678 XSEIXLSOQZFJQT-UHFFFAOYSA-N 409.450 1.157 30 10 HDEE CN1CCN(C2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)CC1 1248374623 DEBRISTWVYTIJU-OAQYLSRUSA-N 424.549 1.081 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C(C)(C)C 1286430947 LJYANDXCIHBLLA-IAGOWNOFSA-N 406.552 1.704 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2OC)CC1 1286471641 PNEMOBRMJPJFOL-UHFFFAOYSA-N 414.485 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[S@@](=O)C(C)(C)C)CC1 1286491394 QAYGBXZINIOTOE-GDLZYMKVSA-N 421.611 1.990 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286606135 HXEANOWIIHNDAE-HZSPNIEDSA-N 417.432 1.978 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC=C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286793085 QYOOAGCCYYKEKX-GASCZTMLSA-N 404.515 1.973 30 10 HDEE CSc1ccc(CNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1C#N 1288808552 RUDBNXFICGIZPV-UHFFFAOYSA-N 409.471 1.464 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(NC(C)=O)CCCCC1 1291924395 CPBJKYREKXDOTC-GFEQUFNTSA-N 403.523 1.665 30 10 HDEE CCCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC)CC1 1293764789 GGXQVGTXMCCGRX-UHFFFAOYSA-N 423.521 1.838 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCOC)CCN2C1=O 1295890924 SHWZXSJKSPBWHL-QGZVFWFLSA-N 423.477 1.326 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1298088874 MERUCYQSUIEOOR-JOCHJYFZSA-N 423.521 1.254 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1298283946 UXTDASUDGDRGRI-KRWDZBQOSA-N 418.461 1.769 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1300309858 VQXDHKHGWMQHSL-INIZCTEOSA-N 420.525 1.570 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 1300401925 UWIDPTHYSMDRIJ-WBVHZDCISA-N 402.451 1.720 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1300428669 LGJGVZDEVVVKGN-UHFFFAOYSA-N 410.522 1.366 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)NC(=O)OC(C)(C)C 1300506614 WLUUIORADFTDJW-UHFFFAOYSA-N 416.526 1.792 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1300564638 ZJCDKEOAQHKUIE-UHFFFAOYSA-N 410.503 1.219 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)COC)CC1 1300700636 TZQWBLBVHWCPKI-PXNSSMCTSA-N 411.506 1.828 30 10 HDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1300778278 QXSVKFLOSFQMAZ-DOXZYTNZSA-N 422.507 1.411 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1 1300921763 WHGQGVBTJKGHRJ-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301186042 QLVHWCHTFGZHQB-AWEZNQCLSA-N 421.523 1.985 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301229352 PQEQWXNUXLILQE-NRFANRHFSA-N 402.543 1.668 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1Cc2ccccc2CO1 1301441963 SPYGMODNOAFKIA-KRWDZBQOSA-N 413.499 1.763 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C)CC1 1301492360 GRVSBRSBDYDCFK-INIZCTEOSA-N 421.509 1.849 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)C2)nnc1[C@@]1(OCC)CCOC1 1301596487 QHCOIKNFAPZIBI-MRXNPFEDSA-N 420.482 1.376 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@H](O)C1 1303822907 GUVMKJOEKONVFE-CWRNSKLLSA-N 410.544 1.179 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C2 1305000320 IGNWQOOSEIALLL-HNNXBMFYSA-N 405.380 1.456 30 10 HDEE Cc1oc(NC(=O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)c(C#N)c1C 1308062849 XAPVLCZPJFJUOE-BRWVUGGUSA-N 402.495 1.838 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C(=C)C)c2ccc(F)c(F)c2)CC1 1312534924 ILKZLZIOEABFIT-QGZVFWFLSA-N 412.462 1.377 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1315048825 UTINRWPHDMIJBB-AWEZNQCLSA-N 411.466 1.230 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)n1 1315990452 VPURHSBXHRVSQA-UHFFFAOYSA-N 409.450 1.550 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1316531499 PZORJNDAPSDFDN-HNNXBMFYSA-N 402.405 1.567 30 10 HDEE C#CCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1358935419 IGVSEDMMKSWQGO-APWZRJJASA-N 410.540 1.357 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359126459 PUHKFBACWMLSTD-ZWKOTPCHSA-N 419.526 1.491 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359226675 KCGIPXFDWPYCQL-INIZCTEOSA-N 418.542 1.517 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1359237394 XEWWBBNPHUGYGT-UHFFFAOYSA-N 400.508 1.894 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1359238308 GNDTVKKWEPLTOB-OAHLLOKOSA-N 412.494 1.959 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2ccnn2C)CC1 1359298152 PAGOMCWBXNEORC-UHFFFAOYSA-N 407.482 1.155 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(CC)c1 1359332361 VWTGKADANUOLSX-QGZVFWFLSA-N 422.555 1.626 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3C3CCOCC3)CC2)cc1 1441014439 VJTJIDKOVLROKB-RBUKOAKNSA-N 403.504 1.454 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nnc(N)s2)cc1 1441898190 WMLROECYZIUHNI-HMAPJEAMSA-N 422.536 1.895 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1443744689 OJDIIZLISBNQAB-DOTOQJQBSA-N 414.506 1.787 30 10 HDEE N#Cc1cc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)ccn1 1448862708 HKOAWOBIHCFVJB-UHFFFAOYSA-N 409.265 1.310 30 10 HDEE C#CC1(F)CN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1455277994 ZGANSMKAGCJZSS-FQEVSTJZSA-N 412.458 1.518 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)nn1 1456289086 HXAIIQPTEPGGQA-CQSZACIVSA-N 419.482 1.336 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cc2nc(C3CC3)nn2C)c(=O)c1C#N 1457777158 BQYIVSWFCWUPJS-UHFFFAOYSA-N 405.256 1.418 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H](CC#N)C(F)(F)F)cc1 1462892425 PBBUVNFRCIUPKY-CYBMUJFWSA-N 406.386 1.226 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)cc(OC)c1OC 1464573051 KMUJDMQNJNYIIT-CJNGLKHVSA-N 423.466 1.933 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](NC(N)=O)C1 1466582511 HEODSAKYNBNDMN-DOTOQJQBSA-N 413.478 1.662 30 10 HDEE COC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1467360740 DAFTXVXHJDICOM-MRXNPFEDSA-N 421.500 1.597 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)CCCCCS(N)(=O)=O)CC1 1467700553 SJZBTPRFSMIPLP-QGZVFWFLSA-N 412.943 1.898 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1COc2cc(F)ccc2C1 1470248676 HFHMWVQFAUVUBP-WBMJQRKESA-N 403.435 1.484 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)o1)S(C)(=O)=O 1471080746 DLNWIHJILPLOEJ-GOSISDBHSA-N 403.464 1.442 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1ccccc1F 1471897455 GIDLLWFMUQXUHS-CJNGLKHVSA-N 405.451 1.084 30 10 HDEE N#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(F)(F)F 1471959701 GJVPIWBQYBSGNA-VIFPVBQESA-N 400.176 1.671 30 10 HDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1473581550 NWNOQQWPWQEYCG-UHFFFAOYSA-N 403.548 1.482 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CCC(c3nccc(N4CCOCC4)n3)CC2)c1 1473680519 WYNLLBICBFUXMP-UHFFFAOYSA-N 420.517 1.681 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1473890197 ZWQZFIRTVIRNAK-NVXWUHKLSA-N 415.437 1.616 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 1478821721 JYFNJGUGKIDLFU-NRFANRHFSA-N 411.550 1.281 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)C1 1479314430 UKZMXEBLXRHFRH-FQEVSTJZSA-N 412.534 1.579 30 10 HDEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1499794556 WNLDWZPNWBOCGS-WAYWQWQTSA-N 408.510 1.976 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2conc2COC)CCOC1 1502628291 OOWXMLONBSTDHY-KUHUBIRLSA-N 404.471 1.709 30 10 HDEE CNc1cc(N2CCC[C@H]2Cn2c(C(C)C)nnc2N2CCO[C@@H](C#N)C2)ncn1 1503828962 DKCANHRUKMSHQD-HOTGVXAUSA-N 411.514 1.631 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2COCCO2)cc1 1504224472 AQNKPRXXCIPRMC-RXVVDRJESA-N 415.469 1.929 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1505323485 FMGJBIZVTXODKR-OALUTQOASA-N 402.543 1.759 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCCC2)nnc1N1CCS(=O)CC1 1505355158 RROZMRLSASDNOG-VLGSPTGOSA-N 418.523 1.031 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1507520341 YSNJQAVLHVEEAE-KNQAVFIVSA-N 418.586 1.416 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1507534810 ASRBAOWGLUMKOF-AWEZNQCLSA-N 423.489 1.641 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507630254 VTHOUWYNCTVGIY-JXFKEZNVSA-N 415.519 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1507653705 QPQVZWPWPXKMCR-UHFFFAOYSA-N 420.521 1.051 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2csc(CC)n2)CC1 1507725729 ACOWTLPZEJEJIT-UHFFFAOYSA-N 413.551 1.223 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](C)C2)CC1 1507738594 RVHKKRCCSXZABQ-JZXOWHBKSA-N 412.538 1.631 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCC(=O)N(C)C)CC1 1507739837 LCDZXBYPPKJHPS-UHFFFAOYSA-N 400.527 1.065 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1507796057 GQTQDODPGRQGNH-OXQOHEQNSA-N 405.543 1.929 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507830195 XDWSAFDEJRFUJP-BBRMVZONSA-N 418.523 1.650 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1508071467 CNOVHFZGJVQBQY-INIZCTEOSA-N 417.473 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1508077758 QSTGZVDDNAYVAN-INIZCTEOSA-N 412.494 1.740 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1508084849 PYSBODSZNHWGNA-HZPDHXFCSA-N 409.494 1.432 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccco2)C1 1508109212 PIKOWWMWRODFJX-IERDGZPVSA-N 415.494 1.796 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(NC(C)C)CC1 1508142638 UHINZHXNTINTKZ-INIZCTEOSA-N 411.572 1.350 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1508698085 HGGAYORBALQOGD-HBIPHATFSA-N 406.556 1.906 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCOCCCO)CC2)c1C#N 1511664487 KILBROZIBLIXSA-UHFFFAOYSA-N 416.530 1.041 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1514299682 JKAAXRJHDXSMSH-ZFDMEJTGSA-N 417.514 1.568 30 10 HDEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1518728725 HJXMZOBLYIVVTH-XJKSGUPXSA-N 424.502 1.381 30 10 HDEE COCCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1519219186 ZWSFUWDPWNHWPW-UHFFFAOYSA-N 407.478 1.545 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1531533984 KPQMUVNAVNAIGF-CYBMUJFWSA-N 400.398 1.821 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C)c(C#N)c3)C2=O)cc1 1534456558 QSKRHNAKFZADTO-JOCHJYFZSA-N 406.442 1.959 30 10 HDEE N#Cc1cccc(C(=O)NCCNS(=O)(=O)c2cccnc2)c1Br 1537374331 JKGMPYKHXYMZHD-UHFFFAOYSA-N 409.265 1.424 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1538963587 DDGRBEAFFZPCQL-QGZVFWFLSA-N 424.553 1.409 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@@H]1CO 1539165552 DVFCDGNPUJGMBI-GOSISDBHSA-N 411.506 1.980 30 10 HDEE C=C(C)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1539723405 PQQZMEGZPUZFLR-HXUWFJFHSA-N 417.489 1.762 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 1539733353 VTSWNQNPWWWDNY-UHFFFAOYSA-N 418.475 1.654 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539831011 BOBRQOZVJHQDOT-SJORKVTESA-N 412.556 1.983 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540019962 OKPAMJIUMQYDED-HNNXBMFYSA-N 408.503 1.286 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)c1 1540585674 SKHHRSMOSIWENY-KRWDZBQOSA-N 408.545 1.771 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1540676665 IZTQWAALHMNYRJ-MOPGFXCFSA-N 419.522 1.664 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1540876139 IOFNHWMRJLLOBZ-IERDGZPVSA-N 421.542 1.484 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1540891514 VRCLFOYZMHRBPW-HZPDHXFCSA-N 401.515 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1540903243 BHAPWAQMGMJGAF-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1541113358 UYQIEHLWCSERKZ-DJIMGWMZSA-N 406.556 1.956 30 10 HDEE C=CCc1cc(CNC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)cc(OC)c1OC 1542445429 FSAUGZCKSSRRJS-SFHVURJKSA-N 416.449 1.979 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 1543794049 KUFPPSARCMDOBS-PKOBYXMFSA-N 403.504 1.643 30 10 HDEE C=CC1(CC(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1545034666 ARDVMXKPLSKHKI-HOCLYGCPSA-N 417.510 1.843 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1cccnc1)Cc1ccco1)c1cc[nH]n1 1545878590 SETOBXYDQMWZOM-UHFFFAOYSA-N 411.418 1.911 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)c1I 1546287016 YOCXPUIQEROPKG-LLVKDONJSA-N 401.252 1.629 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1=O 1546334222 BUAMPCQNYLFORA-AWEZNQCLSA-N 402.451 1.966 30 10 HDEE COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1555564033 FRNSRIMEMKLJPZ-UHFFFAOYSA-N 404.478 1.575 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)cc1 1557723765 YIISVGNCZFOKOX-CMKODMSKSA-N 413.547 1.933 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1559947646 YQNRYRZRCZEYSC-KRWDZBQOSA-N 423.517 1.668 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](CO)(C(F)(F)F)C2)CC1 1560130035 JISKKYSFYBQTFL-RHSMWYFYSA-N 416.469 1.704 30 10 HDEE C=CCN(C(=O)Nc1cc(=O)n(C)cc1Br)[C@H]1CCS(=O)(=O)C1 1563347990 BTOXRIRSHFJIMR-JTQLQIEISA-N 404.286 1.355 30 10 HDEE C=CCN1CCC(NC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1 1563958953 RNWKVAIAJPYZOQ-UHFFFAOYSA-N 406.552 1.371 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1565217473 DFDANVNBSORSLS-UHFFFAOYSA-N 400.479 1.698 30 10 HDEE N#Cc1cn(CCNC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(=O)nc1O 1585292322 IWZXCPHOPKFUNG-UHFFFAOYSA-N 417.636 1.976 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCSC)N1C(=O)c2ccccc2C1=O)C1CCOCC1 1586730813 WLUQRQSUKOWGIQ-QZTJIDSGSA-N 400.500 1.949 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(=C)C 1587765150 BIXFCDCYLOPETG-QGZVFWFLSA-N 409.556 1.817 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H]1C 1587974885 DRDWDFSJWOCFDC-MRXNPFEDSA-N 405.506 1.746 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588073696 BQMJPELBFQWVTA-QZTJIDSGSA-N 423.583 1.487 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1589110778 ZJJPAVLXQQMTLF-IRXDYDNUSA-N 403.552 1.630 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)ccc1O 1593867804 DRXFBMHPCZKIHD-MRXNPFEDSA-N 417.487 1.867 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(=O)(=O)NC)CC1 1594070368 CSUAHCBTPPFFPB-UHFFFAOYSA-N 419.507 1.422 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1595550726 ILTIPSDWPJCFJP-BBWFWOEESA-N 421.567 1.641 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCCC1 1598087072 PHBLEVDNMXWFID-OAHLLOKOSA-N 403.545 1.778 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2[C@@H]2CCCOC2)s1 1603345323 DLNHNJSEWQLYGE-CYBMUJFWSA-N 410.521 1.942 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3ccc(C(F)(F)F)cn3)C[C@H]1CS(=O)(=O)C2 1611158772 COGWKJVXJOBXQT-FZMZJTMJSA-N 405.423 1.589 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1618041015 HHBLTIVZMVAMGO-MOPGFXCFSA-N 421.563 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCN(C2CC2)C1 1619990401 SFZMVEFUAOBICZ-GUXCAODWSA-N 406.506 1.928 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1620657943 DWWNTYQLTXJMER-AREMUKBSSA-N 412.581 1.618 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C)c(I)c2)C1 1622551467 OOVCRYWGOCSZNJ-CYBMUJFWSA-N 418.300 1.976 30 10 HDEE C[C@@]1(CCCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)NC(=O)NC1=O 1627769633 RUNDMDWWIDCWSN-QFIPXVFZSA-N 420.473 1.523 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCCN3CCC[C@@H]3CO)CC2=O)cc1Cl 1631273183 GEKAYUARSIAHIU-FUHWJXTLSA-N 418.925 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1632880012 BXJFXNFNEZCMCM-PFONDFGASA-N 410.446 1.368 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)nc1 1633498556 IOEZPEBFIKWYNB-IBGZPJMESA-N 403.442 1.800 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1c1nc[nH]n1 1633550622 VGZLDQWOGFCQNF-HNNXBMFYSA-N 416.507 1.767 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCOCC1 1635115891 IIYFPGALEQAMDF-UHFFFAOYSA-N 415.309 1.416 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1635345432 FLTHZQZTVLDYMZ-DLBZAZTESA-N 419.489 1.965 30 10 HDEE C#CC[C@]1(C(=O)Nc2cc(S(N)(=O)=O)ccc2O)CCCN1C(=O)OC(C)(C)C 1637105497 TWQRJNVQGYODIK-LJQANCHMSA-N 423.491 1.771 30 10 HDEE COC(=O)[C@H](CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCOC1 1637686778 IRBXZVBSXFBGAD-DLBZAZTESA-N 417.311 1.850 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O 1639963333 VZLCZUWMBXQRSG-PGRDOPGGSA-N 406.442 1.517 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1 1640830181 CUIXUQOKGMABNN-HRAATJIYSA-N 417.462 1.923 30 10 HDEE O=C(Nc1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)ccn1)C1CC1 1641857778 GUIJXZQBVVENEV-UHFFFAOYSA-N 408.414 1.948 30 10 HDEE C#CCCCCCCN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1642136789 JBQYQMBRGIDCLJ-UHFFFAOYSA-N 405.520 1.908 30 10 HDEE CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1642251836 KQKSAVJDKCZOLK-LJQANCHMSA-N 419.547 1.575 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 1643360269 QIBSYYNITLMQTH-CQSZACIVSA-N 404.492 1.211 30 10 HDEE C=CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C(C)(C)C 1643857028 FEHYGMKBLUKOFZ-UHFFFAOYSA-N 409.552 1.610 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(Br)cn2)cc1 1646423254 YHXSSDIFVPDRKD-UHFFFAOYSA-N 409.265 1.081 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)n(-c2cccc(F)c2)c1C 1648637570 AFXVWJGZKZUGRM-SJORKVTESA-N 414.481 1.966 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cn1 1649672195 BXKKMFQQVBVVFX-INIZCTEOSA-N 415.479 1.205 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCN(c2ccccc2O)CC1 1654152242 MIWFRKCMJRHQAV-KRWDZBQOSA-N 401.507 1.706 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)c1C#N 1654181613 HIKJOCSRAFRHPM-JGGQBBKZSA-N 402.499 1.875 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(OC)cc2OC)cn1 1655955980 DMINMEVBBBZGJO-UHFFFAOYSA-N 414.281 1.775 30 10 HDEE C#CCOc1ccc(Br)cc1CNCCCCn1cc(C(N)=O)nn1 1656424733 WZSYBJGTESFAJT-UHFFFAOYSA-N 406.284 1.722 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2C(=O)OC)c1 1661488929 AVBGTOYGVNGOJO-UHFFFAOYSA-N 411.439 1.585 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 1674596686 GZOVCFQCXHWVLE-MOPGFXCFSA-N 420.554 1.751 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)C1 1679943936 DTXJBEVZPZENML-AGKSTNPPSA-N 421.498 1.666 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H](O)c1ccccc1Br 1680686294 UWNWZOONTINDPT-AWEZNQCLSA-N 405.314 1.725 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681301910 TVQRIAKFSFZSKY-MJGOQNOKSA-N 408.462 1.570 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(O)CCC(F)(F)CC2)C1 1681435754 ZJXUTLXPMBNRMQ-QWHCGFSZSA-N 402.442 1.985 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2)c1 1682384390 CZUFQFDSOSTYDW-VXKWHMMOSA-N 411.550 1.763 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1682527880 POIDHVYNGBGNEW-MSOLQXFVSA-N 408.524 1.082 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1689825982 GNEUEOPNUUUTGX-YESZJQIVSA-N 424.615 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H]1C 1689838996 BJBZMZZSKLUHDE-SJORKVTESA-N 405.510 1.863 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(N)=O)CC1 1689916639 QCQJPOMIMYMZKM-UHFFFAOYSA-N 415.519 1.464 30 10 HDEE C#CCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1689928522 PXSTUGGHJOKAKH-UHFFFAOYSA-N 418.523 1.599 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1690050168 VLDLKDNBUHZZQK-SFHVURJKSA-N 411.531 1.552 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ncnn1-c1ccccc1 1690103413 CFYYGXBNWPYUCV-KRWDZBQOSA-N 407.478 1.497 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1690122305 NASUVFXHJOHLEO-UHFFFAOYSA-N 424.524 1.799 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690148769 TYNZUDQMHSOSPS-UHFFFAOYSA-N 422.533 1.604 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1690169415 ALWBFURTKICWOO-OAHLLOKOSA-N 411.535 1.597 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690430918 XEPBITHWZHXKFL-HOTGVXAUSA-N 415.542 1.872 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)C1 1692847055 WDLJAFZRCKRRBZ-LJQANCHMSA-N 417.539 1.333 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1698483413 BRAVOOUVAJTBKG-DNVCBOLYSA-N 406.462 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1705476214 TWWHLKZCHCGTHU-HZPDHXFCSA-N 424.496 1.328 30 10 HDEE C#CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705538914 DKUFMWKVFTWPSW-WWMYMODYSA-N 401.511 1.306 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnnn1CC1CC1 1705544306 LXPGTWWJRRLEJK-UHFFFAOYSA-N 416.287 1.550 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1705582542 CVOUDSSZNNYLNO-KRWDZBQOSA-N 422.514 1.303 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705693568 IBHFJLZWLVRWSH-PKOBYXMFSA-N 404.559 1.593 30 10 HDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1)c1ccccc1 1705741550 SNDASPWXBOJOML-OIISXLGYSA-N 419.507 1.163 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1705787004 DLXSQPKMCPSCEL-UHFFFAOYSA-N 405.547 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1705930100 FHCWKWRCSCCZFU-UHFFFAOYSA-N 411.572 1.697 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1Cc1nncn1C 1706420155 FUVPUSJORSTTQP-UHFFFAOYSA-N 423.500 1.991 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1706748572 WOWHRLRDAVJARC-RDJZCZTQSA-N 412.494 1.823 30 10 HDEE CC[S@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1710916004 ODLXEYRWBMDOJS-OIJAAMDRSA-N 409.462 1.644 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(C)(C)O 1711245088 OQFVRNZZAVAZKO-CYBMUJFWSA-N 423.315 1.936 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C[C@@H](O)COCC(C)C)CC1 1716808220 NVDLEEVQJIROGM-BTOHRNCKSA-N 404.551 1.370 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722314024 GWSRAEULJLIQSE-UHFFFAOYSA-N 424.553 1.227 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722366067 QRWJYBCOCUOJSR-GDBMZVCRSA-N 420.539 1.743 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ncnn2C(C)(C)C)CC1 1722435398 LRGSXBFCXXTWMR-UHFFFAOYSA-N 407.526 1.434 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1 1722508970 VJGVOWIHNSKPNY-MJGOQNOKSA-N 413.526 1.718 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722685634 HXSZZTSJFFBAFK-GOSISDBHSA-N 402.543 1.493 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CNC(=O)C(C)C)C2)nnc1C(C)(C)C 1722703583 CDQHCILNTDBBCX-MRXNPFEDSA-N 404.559 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CCOC)C1 1722727138 MDIXJLAYCHBVBU-DLBZAZTESA-N 412.556 1.983 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1722781249 DKUDNDBKIRCXFB-NRFANRHFSA-N 410.478 1.291 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1740558604 UCCZESWMUSKYLY-HUUCEWRRSA-N 403.508 1.533 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740570326 WNPPLYMYMGZOIQ-INIZCTEOSA-N 404.540 1.842 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740622409 CPXGXBJGYKNYRK-CYBMUJFWSA-N 406.430 1.709 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1740627297 ZQZNUDGOWGMMIJ-MRXNPFEDSA-N 405.911 1.643 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740632937 YLYHLXLCABOVDH-JOCHJYFZSA-N 415.538 1.554 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1CCS(C)(=O)=O 1740634557 MUUHPFAZXVJOHY-UHFFFAOYSA-N 421.320 1.825 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C 1740640380 MBAIYPQDBGBMQN-IBGZPJMESA-N 407.474 1.636 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1CC 1740677400 VEDDJDOLEGRFAL-QGZVFWFLSA-N 422.468 1.668 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)CC1 1740718133 IHSTXPABEFVHSO-GOSISDBHSA-N 419.595 1.840 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740900652 VUQNUJLGVHBVEK-LUKYLMHMSA-N 409.556 1.669 30 10 HDEE C=CCN(c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1740911769 FVLHIEKMBVKQDC-OAQYLSRUSA-N 416.547 1.882 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2cncn2)nc1 1740930797 PUAUANNCPYYKGW-INIZCTEOSA-N 405.466 1.432 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCOCC2)C1 1740973335 VWUXOKXLNRRMBT-ZBFHGGJFSA-N 413.544 1.096 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1741114686 XZVGANRZEOFCOW-AWEZNQCLSA-N 418.523 1.212 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC1CC1 1741131978 FDDFIRMGZVCVSA-OAHLLOKOSA-N 406.494 1.639 30 10 HDEE CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(c3cc(C#N)ccn3)CC2)CCC1 1746494830 HLBARIGIOAXIRT-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1748038924 ADZOBMHBBVVISK-CQSZACIVSA-N 406.512 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1748843814 JPPYNVXDAFUGSF-GOSISDBHSA-N 405.458 1.396 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1748852691 LAXKKYNBJJXUMU-UHFFFAOYSA-N 410.503 1.024 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1748855712 IHFRQGUSNHIOKQ-UHFFFAOYSA-N 402.458 1.328 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1749658296 MTOIABCBSWUTBW-CQSZACIVSA-N 418.885 1.685 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)C1 1749707807 GRNNMIKLKJFYLM-HSALFYBXSA-N 419.570 1.800 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)N(C)C 1751152726 QQFGZLMDUKQZPY-ZHRRBRCNSA-N 423.521 1.538 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)no1 1751424777 AWWCRASCDSCQIR-HNNXBMFYSA-N 421.461 1.740 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)cs1 1751782250 CAUZCOSYHPZRGW-WQIZZMQYSA-N 422.580 1.910 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)n1 1751844797 BZCOBSGOANMMTP-LJQANCHMSA-N 400.462 1.108 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1760098532 TXTOCADMKCBFHS-JKSUJKDBSA-N 410.588 1.611 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1760195420 BJMNFKKKYDSASR-KNQAVFIVSA-N 415.538 1.112 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCCC1 1760197419 WPRYVNHFPMTXKZ-UHFFFAOYSA-N 412.515 1.727 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@H](F)C2)CC1 1760264792 FOVKOUDDOYZCBC-RDJZCZTQSA-N 418.517 1.520 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(C(=O)NCC)CCC1 1760287161 INUWCYPKDAJVIU-HXUWFJFHSA-N 400.527 1.715 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)CC1 1760386948 BIZFYGFOTIESQA-AWEZNQCLSA-N 400.508 1.877 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1760411467 ADHBJVGKUSZMCA-AWEZNQCLSA-N 418.585 1.263 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760520089 BWXWOPJGXKKCMP-QGZVFWFLSA-N 409.494 1.234 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC(C)C)C1 1760547809 RTOINUZLKZGOPJ-BQFCYCMXSA-N 407.515 1.308 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1761363221 LQSBMJRCCPLPNQ-BZUAXINKSA-N 410.544 1.334 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCC1CC1 1761867907 HFVXOMNGIXVDPY-INIZCTEOSA-N 422.537 1.911 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cs1 1762297296 STHNBPCEKQYCKG-UONOGXRCSA-N 410.450 1.787 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1762630837 QLOYKSDUEVBNLF-DLBZAZTESA-N 409.450 1.024 30 10 HDEE CCc1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1764719835 NONSNFVSBIALCP-FMQUCBEESA-N 424.461 1.732 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1766383640 VHDDBOLAQOKZPG-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1768173304 BAKJLYGEYTUBCJ-LJQANCHMSA-N 423.521 1.254 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 1770361145 FQJMMUTXJIFAPF-MHTXLSKPSA-N 416.463 1.493 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@H]2CCOC2)c1 1770735835 PCPJLSDUTHETLW-GOSISDBHSA-N 424.505 1.586 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1849520728 BWICZMQWTNMBCA-UHFFFAOYSA-N 403.504 1.704 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1)CC2 1849792033 SESPXCHDFXPBNY-QGZVFWFLSA-N 403.439 1.158 30 10 HDEE CCc1c(C(=O)NCC#CCN2CCCCC2)nnn1-c1ccc2c(c1)OCCO2 1850617497 DWAWHGZAQNIPKB-UHFFFAOYSA-N 409.490 1.820 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1nc2ccc(Cl)cn2c1Br 1851352129 WTTVZKSKTIARCO-UHFFFAOYSA-N 411.687 1.816 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCCn2c1nc(C(F)(F)F)cc2=O 1852649307 UMTXJEMICGPIBZ-UHFFFAOYSA-N 408.336 1.958 30 10 HDEE Cc1nn(C)c(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c1C#N 1853213346 JCMNRCDNSYFGHC-UHFFFAOYSA-N 409.494 1.549 30 10 HDEE N#Cc1c(C(F)(F)F)cnc(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1Cl 1853342423 LMEIGMPLKRTOPW-UHFFFAOYSA-N 408.789 1.988 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1853629451 PQQRIWSPVXGPRQ-MAUKXSAKSA-N 405.445 1.601 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc3cccnc3n2)C1=O 1853804190 DCHUVJIKFXLDOL-ROUUACIJSA-N 407.474 1.480 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)[C@H]1C 1854277557 LTAKOHYAHBPGER-HZPDHXFCSA-N 410.474 1.725 30 10 HDEE CON(C)C(=O)C1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1854429722 WVDFUHAOSJVBHP-IBGZPJMESA-N 412.490 1.350 30 10 HDEE CC1(C)C(=O)N(C(=O)CC[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854452624 GAWPGKNWKGMQRR-INIZCTEOSA-N 419.503 1.656 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1854658048 CRZCVNMKVXHPBZ-WMLDXEAASA-N 416.547 1.794 30 10 HDEE C=C(C)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C(=O)[C@@H]1C 1854734998 BGLPDZVJDRJXPW-INIZCTEOSA-N 408.520 1.885 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855041943 QEFTYELIEJDESR-MRXNPFEDSA-N 408.495 1.873 30 10 HDEE CCOc1ncccc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1855148134 YIHBDHZYVGWUTE-HNNXBMFYSA-N 406.442 1.908 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855226862 VXAYFZSIXRIAAJ-HZPDHXFCSA-N 402.520 1.465 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 1855421469 SRWRGNHQYBMYQN-HZPDHXFCSA-N 400.454 1.789 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(CC(=O)C(C)(C)C)CC3)CC2=O)CC1=O 1855802126 BDMXHCRIURSLGR-ROUUACIJSA-N 417.550 1.723 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@H]3COc4ccccc43)CO2)cc1 1855834093 BSFFANVAVDYNML-YOEHRIQHSA-N 400.412 1.582 30 10 HDEE C=CCN1C[C@H](C)C(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856061151 OAQDPPGYLQZPPM-AWEZNQCLSA-N 403.504 1.612 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)[C@@H]1CCOC1 1856091292 ZTJURJKPXRGDSA-LSDHHAIUSA-N 406.504 1.972 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1856521168 LUONCSXHCLKVIC-FUHWJXTLSA-N 400.483 1.071 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4COCCO4)C3)CC2)cc1 1856635829 VAAIVJHUZVJJIZ-PXNSSMCTSA-N 413.474 1.192 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(CCn3nccn3)C3(CCCC3)C2=O)cc1 1856704827 WRIAYCLEWOIRAO-UHFFFAOYSA-N 406.490 1.766 30 10 HDEE C[C@@H]1CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1856989520 UGJWRCZUILJIIP-CXAGYDPISA-N 423.922 1.656 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN([C@H]3CCCCC3=O)C3(CCCC3)C2=O)CC1=O 1857117373 OGWBREAHZAKACA-IRXDYDNUSA-N 401.507 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857362715 AFJOSECWSKQTLC-QGZVFWFLSA-N 404.511 1.997 30 10 HDEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861244765 NTRUVGALANHDLD-GOSISDBHSA-N 420.554 1.955 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)Cc2ccc(N3CCOCC3)cc2)c1 1866906155 KSQFMHZRBCSJJW-FQEVSTJZSA-N 408.458 1.053 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCC4(CC3)OCCO4)ncnc2n1CCCOC 1873586627 FXOQVWFGPBLRFL-UHFFFAOYSA-N 415.494 1.727 30 10 HDEE C=CCn1c(C(=O)NCCCCCCO)cc2c(N3CCC(O)CC3)ncnc21 1873595994 BBKVGXBYKBRHNK-UHFFFAOYSA-N 401.511 1.861 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(N(C)C)cc1 1874435614 PBDKVDOFDRLIHJ-SRZZPIQSSA-N 418.523 1.908 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cccc(F)c3F)CC2)CC1 1889324682 FVIOCWUJTYPZQC-UHFFFAOYSA-N 405.489 1.766 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)c(F)c(F)c3)CC2)CC1 1890024628 DRMNZLATXSRXOI-UHFFFAOYSA-N 423.479 1.905 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(OC)cc2)C1 1890926458 HZSMLROQIDJLRI-WOJBJXKFSA-N 402.516 1.949 30 10 HDEE C=C(CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)B1OC(C)(C)C(C)(C)O1 1897267143 WJWVJFUCFMIVQJ-HUUCEWRRSA-N 410.320 1.908 30 10 HDEE O=C(CCNS(=O)(=O)C=Cc1ccccc1)ON1C(=O)c2ccccc2C1=O 2059551827 GBISFAOIBSJOOU-UHFFFAOYSA-N 400.412 1.721 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCC12COC(CNC(=O)OC(C)(C)C)(C1)C2 2174789712 UMASVIJJWZRBBI-NNGSBXSVSA-N 401.529 1.775 30 10 HDEE C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2192474624 VQYWZVRXALYFQV-HNNXBMFYSA-N 400.545 1.541 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2212757752 JZOCCSWVVACXAX-CYBMUJFWSA-N 408.260 1.738 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386759 HENFFXKPYPCOLM-NEPJUHHUSA-N 408.308 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243407062 KTAASYSVXFBSNJ-OCCSQVGLSA-N 405.304 1.957 30 10 HDEE Cn1ncc(C(=O)NCC=CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247780834 FULLUEAZCNCJPC-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE Cn1nc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247817655 OXNCHYXJKLTOFY-CHWSQXEVSA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CC1 2248061699 SFAUAGCMWXCTSP-UHFFFAOYSA-N 418.303 1.469 30 10 HDEE CC(C)[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355075 SFEHVPCRNVZMLF-LLVKDONJSA-N 409.766 1.996 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCSC2)OC1(C)C 2267474247 REUIEHPFUSUMQB-NSHDSACASA-N 404.388 1.615 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCSCCCO)c2)OC1(C)C 2267713707 RKHCGNBCPIKARC-UHFFFAOYSA-N 407.388 1.441 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H](O)C(C)C 2282414989 ABMAXWMURAYWPT-ZDUSSCGKSA-N 403.375 1.993 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2CC(CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282496604 DMRQOWNJRMBRIX-UHFFFAOYSA-N 401.359 1.713 30 10 HDEE Cc1cc(S(=O)(=O)NCc2c[nH]c(=N)s2)sc1B1OC(C)(C)C(C)(C)O1 2282837978 YUZAYGOFYPMPPP-UHFFFAOYSA-N 415.371 1.703 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](C)N1C 2282855811 JRLMCCNGKNYRNY-STQMWFEESA-N 400.375 1.760 30 10 HDEE C[C@@H]1COC[C@@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880588 KXDXPFHSSNMLCP-CHWSQXEVSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)O)C3)s2)OC1(C)C 2284396603 DNTBZQDKXORLJZ-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](F)C[C@H]3C(=O)O)s2)OC1(C)C 2284399306 IYIOYCKUXIFVGW-ZJUUUORDSA-N 405.278 1.233 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406053 SXLUKMKMRLYKGJ-CMPLNLGQSA-N 401.315 1.449 30 10 HDEE CCOc1cc(C=NNc2nnc(C)c(O)n2)ccc1OCC(=O)N(CC)CC 2323118215 JYKAQKDEVOCMJZ-UHFFFAOYSA-N 402.455 1.978 30 10 HDEE CCOc1ccc(C=CC(=O)N[C@H]2CCN[C@H](C(=O)C=CC(=O)O)C2)cc1OC 2328179416 DFBDRNBANRVHHT-HOTGVXAUSA-N 402.447 1.554 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCC1 2342073782 GVCPCXFAWIDHQB-NQIIRXRSSA-N 420.531 1.448 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2351705738 YMHXLDTXIHQBPV-CQSZACIVSA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365204373 MZFCFAKICVHWPN-DOXZYTNZSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365205246 SVXCPCDSUCRYIE-QMTMVMCOSA-N 402.557 1.729 30 10 HDEE Cn1cc(C#C[C@@H](OCC(=O)O)c2ncc(I)s2)cn1 2366043395 BEENCKASLJCUIH-SECBINFHSA-N 403.201 1.675 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793093 UAJAMRBELFTUHW-UONOGXRCSA-N 414.549 1.911 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2367801314 QTMCUSFMIYJYQI-HOTGVXAUSA-N 400.541 1.429 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CC2)[C@H](C(F)(F)F)C1 2367804189 QMRSJESZXGFPGE-JHJVBQTASA-N 411.442 1.973 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccccc2)CC(F)(F)F)CC1 53423251 YIVNFBQPLLKKBY-UHFFFAOYSA-N 412.456 1.497 30 10 HDEE C=C(C)COc1ccccc1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OCC(C)C 66229027 DGPTTYQFHWTWHC-SFHVURJKSA-N 417.506 1.970 30 10 HDEE N#CCC(=O)NCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 169830784 AYHISWRUVLKIGE-SFHVURJKSA-N 404.426 1.040 30 10 HDEE Cc1ccc(C(=O)NC2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)s1 301393440 CKHSIEQURCGZJO-UHFFFAOYSA-N 404.517 1.974 30 10 HDEE C#CCN(C[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)NCC)C(=O)OC(C)(C)C 407671819 UTHMQCXCROLNQP-IRXDYDNUSA-N 401.573 1.897 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)cc1 429479486 XIYVKTWZXCKZLT-YSVLISHTSA-N 406.508 1.624 30 10 HDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)NCCOc2ccc(C#N)cc2)CC1 431634305 FXAPMBLIPHZLSW-UHFFFAOYSA-N 415.538 1.863 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 434301787 RTHLQMAZAZIJEH-DZGCQCFKSA-N 419.425 1.654 30 10 HDEE COc1cc(N2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)ncn1 461203820 OJJJQYZNTQSIDO-UHFFFAOYSA-N 420.477 1.298 30 10 HDEE COc1ccc(CNC(C)=O)cc1S(=O)(=O)NCCOc1ccc(C#N)cc1 462404253 WUGYJRJSKXXKML-UHFFFAOYSA-N 403.460 1.560 30 10 HDEE C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469065250 UWDJRWKBLHMQBE-CLZYOGPISA-N 423.469 1.479 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 474052304 FDRJDTFQFINBBF-QZTJIDSGSA-N 406.442 1.798 30 10 HDEE N#C[C@H]1CN(C(=O)CCC(=O)Nc2nnc(C3CC3)o2)CCN1Cc1ccccc1 474292081 ICQYOFBTFWMKDX-KRWDZBQOSA-N 408.462 1.902 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@H](C(=O)C3CC3)C2)c(C#N)cn1CCOC 480103446 MVVSFSWVLTVAHO-HNNXBMFYSA-N 418.450 1.395 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)cc2C1=O 482195709 WOTPGHKGHCSDBO-AWEZNQCLSA-N 416.437 1.997 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 490169576 JMLXHNBIJGQFMH-QFIPXVFZSA-N 424.505 1.493 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505038704 KDEHXVJAPCPQGY-UHFFFAOYSA-N 406.508 1.808 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 508466561 VCOHVNJTVFIWFB-HNNXBMFYSA-N 403.508 1.884 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 509001386 WCMJBZKOCAYTNL-IBGZPJMESA-N 422.489 1.996 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCO[C@H]2c2ccccc2)CC1 522318158 SWGGDJOGJHTILZ-FPOVZHCZSA-N 400.523 1.784 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC(=O)OC)C[C@H]3CCCO3)cc2C1=O 524444897 LPVFBTCBTRKYGN-OAHLLOKOSA-N 400.431 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 524494626 JSHSIKDKHXLHDL-OAHLLOKOSA-N 420.510 1.403 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 542337462 HHSSLQXNAPDDMO-IBGZPJMESA-N 413.566 1.940 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CCCC1 557849496 RVPYUPVEAXRLPY-HZPDHXFCSA-N 403.504 1.909 30 10 HDEE COCCN(CCOC)C1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 577925946 MTSWWXNVGZNPSH-UHFFFAOYSA-N 404.511 1.836 30 10 HDEE C=CCn1c(COc2ccccc2F)nnc1SC[C@@H](O)CN1CCOCC1 588635752 BSDCEQBKRQXOAP-HNNXBMFYSA-N 408.499 1.967 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 607693432 OCZZVLQZURIYFL-INIZCTEOSA-N 403.508 1.283 30 10 HDEE CN(CC(=O)NCc1ccc(C#N)cc1F)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609971142 JFSIQQPDJIZTHB-UHFFFAOYSA-N 406.395 1.542 30 10 HDEE Cc1nc(=NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 610109932 JIGULWWLONRVCU-UHFFFAOYSA-N 421.461 1.405 30 10 HDEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 611247760 RINOHYBOQRSMNG-UHFFFAOYSA-N 424.432 1.733 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 727634064 PWPUJNPMDOMSOL-KRWDZBQOSA-N 400.460 1.354 30 10 HDEE C#CCN(C(=O)CCOc1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 729333987 FDVWSQXXEWBTGM-CYBMUJFWSA-N 400.294 1.867 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732465433 FFSDBFGYZDOBMN-UPTRSRDDSA-N 421.498 1.554 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F 732649922 UTDAIHPOFHYJJQ-OAHLLOKOSA-N 408.499 1.715 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 734293241 PIEAIEHZKKIUGM-UHFFFAOYSA-N 418.475 1.269 30 10 HDEE CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 740198351 FEZLSFIPEXYGLP-KRWDZBQOSA-N 402.428 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)[C@H](C#N)C1 752002218 NATOQAXUIRUGAO-OAHLLOKOSA-N 410.452 1.869 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccnc1-n1ccnc1 764761038 JFKAFSJHZPRIAH-AWEZNQCLSA-N 410.459 1.122 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 766988617 RQMVNOJYCBTBKW-UHFFFAOYSA-N 417.443 1.517 30 10 HDEE C#CCN(C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O)[C@@H]1CCS(=O)(=O)C1 774047636 VKNPLYLGKDJKNX-QGZVFWFLSA-N 417.462 1.690 30 10 HDEE C#CCN(C(=O)Cn1nc(C(=O)N(CC#C)C2CCCC2)ccc1=O)C1CCCC1 778978830 SWBXOAAVBVJHKK-UHFFFAOYSA-N 408.502 1.666 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 780858438 HYTWRJLXCJXWJC-SFHVURJKSA-N 409.471 1.005 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 780861030 PVWWWFIZEGZKLR-JOCHJYFZSA-N 422.485 1.915 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2ccc(-n3cc(Br)cn3)nn2)n1 788821510 YGZYIVVCBBQUGV-UHFFFAOYSA-N 414.267 1.917 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C3CCC(C)CC3)C2)n1 790104054 JCOZUFNHEWNHER-FDYSRKEFSA-N 400.523 1.919 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)S(=O)(=O)c2ccc(F)cc2)n1 790109199 PSAFYOPRHQCVFV-HNNXBMFYSA-N 407.467 1.493 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC(=O)N1C 800527156 WKVCQJBKMXMGHO-BPHPCYGNSA-N 407.496 1.194 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)CC[C@@H]3CCCCN3C)CC2)o1 803860828 RCEQEZDVQKXTNF-INIZCTEOSA-N 403.483 1.311 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC2=N[C@@H]3CCCC[C@H]3N2)cc1Br 807981254 FOXATQQJARKKOU-VXGBXAGGSA-N 400.302 1.290 30 10 HDEE COCC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 810166091 LEPVXLUMSIDNSO-OSGFXRFRSA-N 412.512 1.672 30 10 HDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC)[C@@H]1CCS(=O)(=O)C1 812043525 VPWYWBBOAGYIKZ-OAHLLOKOSA-N 404.492 1.512 30 10 HDEE Cc1nc([C@](C)(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817623557 LKWPKSZLZYZCNB-LJQANCHMSA-N 417.491 1.638 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)Oc3ccccc3C#N)CC2)o1 915387176 CYOWUNBBVTVUBP-CQSZACIVSA-N 423.429 1.386 30 10 HDEE COc1ccc(O)c(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1 1084045013 NVBRTYUVYCJMRQ-UHFFFAOYSA-N 406.453 1.547 30 10 HDEE NC(=S)N1N=C(c2ccccc2)C(=NNc2ccc(S(=O)(=O)O)cc2)C1=O 1084377284 YJOJISGEDIMHSB-UHFFFAOYSA-N 403.445 1.191 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(-c2nnc(CNC(=O)c3cccs3)o2)cc1 1117227729 DAKJJTKELAPLCR-UHFFFAOYSA-N 417.472 1.920 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCC(=O)N2)cc1 1125238859 MQVDWOHIHAKIQC-QZMYASAMSA-N 406.508 1.887 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1131460766 UFMLNMORRIDSMC-QGZVFWFLSA-N 419.547 1.507 30 10 HDEE COc1ncc(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N 1134074042 CGDQGNUTUNBICD-AHKGRUIUSA-N 419.441 1.704 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCCC3=O)C2)s1 1136755786 HWQBTIWKKKBZFW-CQSZACIVSA-N 411.549 1.368 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCSC[C@H]2c2nn[nH]n2)cc1Br 1154775861 IDXZCOYFHJXEBZ-LBPRGKRZSA-N 409.269 1.529 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cccc(I)c1N)C(=O)OC 1155779424 MAKJLTQEWUAHJT-LLVKDONJSA-N 404.204 1.347 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1OC 1157500652 YHRATXUTOXCXTG-UHFFFAOYSA-N 410.478 1.867 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1177754912 PFYYPZOZEZMYHP-FQEVSTJZSA-N 417.575 1.918 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1183507209 CHJVRSXUNZLZJI-QAPCUYQASA-N 420.535 1.876 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)C[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 1213515083 MONRBTKXDCAWOD-IBGZPJMESA-N 420.531 1.968 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1221807822 CWBMSPXCJZGQMO-TXEJJXNPSA-N 420.315 1.804 30 10 HDEE C[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1c1ccncc1 1227631440 GPBFKDJGMMRGEO-UTKZUKDTSA-N 418.501 1.974 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCO1 1252506445 DDWZFYRSUOZUIA-QFIPXVFZSA-N 414.506 1.886 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CS(C)(=O)=O)ccc1F 1273306086 OXDVHBKICHVRSW-CQSZACIVSA-N 418.512 1.329 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](COC)OC 1286431107 SPFOBOCBJYQZNB-IBGZPJMESA-N 406.490 1.641 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1286473427 SGIOMWNKEZGQNA-DBXWQHBBSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCCC2(C)C)CC1 1286481336 DVWPQLCPTBZKIP-HSZRJFAPSA-N 408.550 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)c(OC)c2)CC1 1286491309 MOVXTVNLJRBBIM-UHFFFAOYSA-N 411.506 1.872 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286709444 UEAZKPJANXJENP-FQEVSTJZSA-N 424.505 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286786607 HTGDJYLFSCJQRR-INIZCTEOSA-N 423.521 1.446 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)nn2C)C1 1286804442 NJPGLHQPJBULDB-NQIIRXRSSA-N 416.526 1.802 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1295065498 NSBWYQKXWGTIIM-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C#N)o2)C1 1296326844 NFAQGUWOVNPXKE-CZUORRHYSA-N 406.512 1.823 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1300310480 XVJSRLFLVCQNNK-WBVHZDCISA-N 413.547 1.960 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300428799 OJUSYJOQXNFWSB-BRWVUGGUSA-N 400.527 1.824 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1300496420 RCEDMWKPNOTMQX-MRXNPFEDSA-N 417.539 1.222 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(O)CC(OCC)C1 1300538445 QDODFPQUFMWAPR-GTPZEUEISA-N 422.485 1.793 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300972079 GRSMCGNTTVZUGW-XHSDSOJGSA-N 413.544 1.096 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1301294001 KFOHAOLAFIMEDT-JXFKEZNVSA-N 402.520 1.636 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1301490858 GTIDKYNOMKMNOT-UHFFFAOYSA-N 423.452 1.568 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301498243 LWPRPOWIGWWXEG-LSDHHAIUSA-N 404.515 1.315 30 10 HDEE COCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1302229493 FPUWYOKOMRISEO-SFHVURJKSA-N 410.478 1.673 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)CCO1 1303001514 BVLMINXGEMSGTL-LBPRGKRZSA-N 407.381 1.283 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1303635158 ATERGTPJPOGPFW-HKZYLEAXSA-N 423.477 1.872 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1303635161 ATERGTPJPOGPFW-ZMOMAAQPSA-N 423.477 1.872 30 10 HDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc4ccccc4c3)CC2)C1 1304201345 ZRIUIOTXDNXQLO-UHFFFAOYSA-N 414.483 1.982 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCN(c2ccc(C#N)cc2)CC1 1308010960 GTLIJMFSIRZFIW-GOSISDBHSA-N 405.506 1.208 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1314683055 FBRTZIVJWGEKGC-GOSISDBHSA-N 414.535 1.536 30 10 HDEE COCCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316038551 OMDQMIMXVCSPJW-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE C#CCC1(C(=O)NC[C@@H](C2CC2)N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1336939279 AKPNASBGAFHECL-XUFBONQXSA-N 400.519 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1358891139 ZQDGZLAKSRGXOS-HOTGVXAUSA-N 412.519 1.688 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358937531 ZKLSLAJHSYDSLU-HNNXBMFYSA-N 406.531 1.989 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1csc([C@@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1358963755 NQBVIRCKZXOJED-HIFRSBDPSA-N 423.564 1.679 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1noc(CC)n1 1358997103 FATAKQVZIHRZGV-UHFFFAOYSA-N 406.494 1.791 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1359029745 GQSAAUNATUEXSM-UHFFFAOYSA-N 401.536 1.347 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CCC2)CC1 1359036998 QIYBMWFWNVPVLP-LJAQVGFWSA-N 412.563 1.320 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 1359189122 BKFUWTALKPCERB-OAHLLOKOSA-N 419.555 1.703 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1436252204 QQBFCFIXSZPVSA-SJORKVTESA-N 422.503 1.318 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3cn4c(n3)COCC4)c(C#N)c2N)cc1 1445147816 BFMFTNSYMOEANG-UHFFFAOYSA-N 405.462 1.724 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nn[nH]c1C(=O)OCC 1455641095 PRCVEWLXKKAWFL-ZIAGYGMSSA-N 419.482 1.952 30 10 HDEE C#CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1456082235 HUFQDYALICKHHC-JKSUJKDBSA-N 411.524 1.613 30 10 HDEE C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(OCC(=O)NC2CC2)cc1 1459846430 HQPGVCJEBBVOFT-ZDUSSCGKSA-N 406.446 1.815 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2ccc([N+](=O)[O-])cc2I)CCO1 1463088345 IVNUCLWYWKHFMO-CYBMUJFWSA-N 401.160 1.954 30 10 HDEE C#CCCCS(=O)(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1463746626 QDBRZRZVXZZXBO-INIZCTEOSA-N 412.577 1.948 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCCCNC1=O 1464649927 RKQZJGLOPAQRNO-WZHMAMEKSA-N 404.511 1.900 30 10 HDEE CN1CCC(C#N)(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1464833891 BGYLQLVBWKAFJE-UHFFFAOYSA-N 404.814 1.857 30 10 HDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)c2cc(C#N)ccc2F)C1=O 1465503861 OJRVEKFNLDKICZ-UHFFFAOYSA-N 409.377 1.443 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Cc3cnn(C)c3)C2)s1 1465727766 IZPDHSCZUUGVEV-CQSZACIVSA-N 408.549 1.580 30 10 HDEE CCN(CC)CCN(C(=O)C(=O)/C=C/c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1466157412 KGSIHELKAUMBJB-RUJXFNLJSA-N 410.511 1.766 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(n2cccn2)CC1 1472124209 BPTQIUKRFXGVAD-INIZCTEOSA-N 415.519 1.786 30 10 HDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1472319711 RABRTIMLYBDQTE-HKUYNNGSSA-N 404.532 1.992 30 10 HDEE N#C[C@]12CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1473850458 OKGXJJDBXSCSAY-SMDDNHRTSA-N 400.254 1.727 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)C1 1476436077 AABVHTLAFXRXKW-MRXNPFEDSA-N 409.508 1.739 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494419621 DZEQRPZKVKFTGA-MVZUJROASA-N 423.477 1.015 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C(C)(C)C 1499162115 HSCQWQBRJGOCNM-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1502282924 HKWFOFFQSGKFSE-QFBILLFUSA-N 407.522 1.968 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1503279486 GYMJTYHATAIEMC-PBHICJAKSA-N 414.507 1.291 30 10 HDEE COC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1504709112 DNXVIFNEYMPQJP-IUTYPILCSA-N 418.498 1.168 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1504899482 HLMZBZHLMKDHMO-LJQANCHMSA-N 418.461 1.437 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)C1 1505311545 ABTOQKJTKQDPEY-SFHVURJKSA-N 418.860 1.828 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)OC)c1 1507551247 VVCLNMCCVUCQTN-WMLDXEAASA-N 410.478 1.320 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1507567758 SAXHYNYGSZILHZ-INIZCTEOSA-N 402.524 1.389 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1507581923 ASQNZAGATSOIOG-KRWDZBQOSA-N 419.489 1.320 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCN1CCN(Cc2ccccc2)CC1 1507605887 WYLYXAYUKOIVEG-UHFFFAOYSA-N 423.565 1.304 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@@H]1COCCO1 1507623352 VUQYLWDMYRZIJL-IXDOHACOSA-N 419.526 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@@H]1C 1507671791 PPZWGNWAQOVISN-WZONZLPQSA-N 418.501 1.519 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CCOC)c1 1507805342 AHERANMJAPPIIC-UHFFFAOYSA-N 401.515 1.808 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508080439 BALIVHNZCPMQCO-SFHVURJKSA-N 411.554 1.898 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1508142681 UPTJLLJJLOVULL-ZWKOTPCHSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1508169293 ZVJGKAPBCNNQGT-UXHICEINSA-N 421.567 1.566 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1517347280 MLXTWZGXWJQAKK-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)n1 1519275204 DSXJDSXMJUVPPK-KSSFIOAISA-N 406.466 1.205 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@H](C)COC 1528490419 YFOQCQXSSLKLDZ-MRXNPFEDSA-N 423.535 1.203 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(F)cc(Br)c3C2)C1=O 1534543169 QQCRLKFJJCXHLT-UHFFFAOYSA-N 424.226 1.450 30 10 HDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)c1ccccc1 1537005665 LCZAGEKGPSIKOX-FFZOFVMBSA-N 401.488 1.078 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1539003246 NCKGERFKEFBWRJ-CYBMUJFWSA-N 417.477 1.319 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539078977 LGWVKLFRRCWKNH-HNNXBMFYSA-N 414.535 1.740 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc2c(c1)C(=O)NCC2 1539407413 ATVPTRBKZPDGGP-UHFFFAOYSA-N 416.485 1.760 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCC)CC1 1539513741 RHXVMRKPMWFMOW-UHFFFAOYSA-N 415.567 1.788 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2nnnc2-c2ccsc2)CC1 1540472161 FTONXEMVBNBHFQ-KRWDZBQOSA-N 411.466 1.950 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2c(F)cccc2OC)CC1 1540898370 IQNRJPYOHIIIKN-UHFFFAOYSA-N 423.514 1.662 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1540916393 WSSMXBHJRJQCNS-HNNXBMFYSA-N 409.556 1.984 30 10 HDEE C=CCN(C(=O)c1cccc(I)c1N)[C@@H]1CCS(=O)(=O)C1 1543487067 FJPYGVZSKGROOK-SNVBAGLBSA-N 420.272 1.689 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C[C@H]1N1CCOCC1 1544715872 UWWONPIGLUAHSM-VQIMIIECSA-N 410.522 1.745 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](OCCN3CCCC3)C2)c1 1545534981 XWTJXTOMUKOXGS-LJQANCHMSA-N 404.532 1.811 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1548184991 IWFVBERURZXFRU-AEFFLSMTSA-N 410.478 1.596 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1555636032 FRHGPLHBKGRPCP-UZLBHIALSA-N 422.505 1.847 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)OC 1556970077 MDVNODYURIBPJJ-MRXNPFEDSA-N 421.291 1.982 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C2CC2)[C@H](C)C(=O)OC(C)(C)C)c1 1557061563 YESPSVZISXGJAR-CQSZACIVSA-N 406.504 1.933 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 1560033160 LKGMHOOOGUOECU-KRWDZBQOSA-N 400.527 1.501 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1564847463 NCLFOLMUCHHCEF-IBGZPJMESA-N 420.941 1.836 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@H](OC3CCCC3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1565042009 ZDRNQCTVBDXYSH-WHOFXGATSA-N 409.430 1.456 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3N)CC2)c1C#N 1569889493 YYXFVDBBIZQDET-UHFFFAOYSA-N 405.505 1.271 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1570227645 NUUMFGZYCIMMDZ-XJKSGUPXSA-N 421.291 1.777 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 1583526586 NNDFRNGLUVYHOS-HNNXBMFYSA-N 424.475 1.105 30 10 HDEE C#CCN(CC(=O)NCCNc1nccc(C(F)(F)F)n1)C(=O)OC(C)(C)C 1586506064 JCXXRSNJFYPGNE-UHFFFAOYSA-N 401.389 1.894 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cc(Br)ncc2Br)n1 1586936766 SMOXQUFRYRKYEJ-UHFFFAOYSA-N 400.034 1.500 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCOCC1 1587662586 PNWATZZIWRUMRC-QGZVFWFLSA-N 411.506 1.640 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCCS(C)(=O)=O 1587673990 UIQLTZMNFHOXJX-OAHLLOKOSA-N 406.508 1.758 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1587852085 POIVLBYBAJQAFG-SJLPKXTDSA-N 400.527 1.332 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)Br)CC1 1588812790 UJDORSSBZONEFA-CYBMUJFWSA-N 418.286 1.915 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1593735398 FNFHHUMSOZNLEU-UHFFFAOYSA-N 413.448 1.956 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1595545484 XTNKUPUPACPPCY-UHFFFAOYSA-N 417.558 1.822 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595649816 VGDGGBOMXQWABI-LJQANCHMSA-N 424.505 1.966 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1596979214 XKXISIBICHSMHH-INIZCTEOSA-N 403.442 1.961 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(CCC#N)cc1 1598256223 SAGHELLMFUJGIM-UHFFFAOYSA-N 402.476 1.754 30 10 HDEE CCOC(=O)c1cn(CC)nc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1603613957 JEPATOXEAPUDCE-UHFFFAOYSA-N 408.411 1.768 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1619511202 UZXBUIRYYZSKRS-KOFUXLBCSA-N 402.499 1.789 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@H]3C)CC1 1622067126 BDYSNYGUNSJMKP-OAHLLOKOSA-N 417.531 1.697 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 1622142110 ODYABDYZOLULND-GOSISDBHSA-N 412.533 1.192 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1623695937 QXMROXISKUFFMT-KRWDZBQOSA-N 423.558 1.634 30 10 HDEE CCOC(=O)[C@H]1CSCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626805373 CVUFGKAXFJUVOF-LSDHHAIUSA-N 416.459 1.228 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1627255825 OXJIKTPWKVDUIG-MIGQKNRLSA-N 413.440 1.739 30 10 HDEE CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(C)(C)C 1631522809 AZUMSXDPQVIGIB-QGZVFWFLSA-N 406.552 1.694 30 10 HDEE C#CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CCN(C)CC1 1633446876 YDUJHAMMSWGIFO-UHFFFAOYSA-N 418.972 1.419 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 1634555443 YBZCKRUJBQCPKW-ZDUSSCGKSA-N 404.264 1.259 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918794 NZBVVQBBEQBROX-NHCUHLMSSA-N 417.469 1.906 30 10 HDEE C#CCN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1635166655 SMVNXVPDQKOZFB-PSCUFVCCSA-N 400.523 1.987 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1637884783 BGZILGAEEOYHFQ-MOPGFXCFSA-N 420.535 1.107 30 10 HDEE COCc1ccc([C@@H]2COCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)o1 1639082119 BRHZFEAVYSFFSA-KRWDZBQOSA-N 419.459 1.176 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CCO1 1639642538 ZJBNEYGKLLFYDB-SFHVURJKSA-N 414.487 1.451 30 10 HDEE Cn1c(=O)[nH]c(SCCCCCCN2C(=O)c3ccccc3C2=O)c(C#N)c1=O 1639893811 AJYKNMJDMMCDBD-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE COc1cc(N)c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1S(C)(=O)=O 1640995562 ONSIRSBCYDEEBP-UHFFFAOYSA-N 414.487 1.967 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1641439458 NCIZXZPXMKFRLI-HNNXBMFYSA-N 418.881 1.823 30 10 HDEE Cn1cc(-c2ncccc2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1642076368 GICLDIXLEXAJPV-UHFFFAOYSA-N 410.459 1.549 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cc(O)nc(O)n1 1643682002 NGYKFZFFNLBMLW-UHFFFAOYSA-N 423.223 1.616 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)CCC1 1644653874 QGTYUBDEGHALAJ-FOIQADDNSA-N 403.504 1.895 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 1660432981 HHLZEUHYKCBBRE-FQEVSTJZSA-N 423.535 1.684 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)CC1 1663573910 FVICJTPKWANGJE-UHFFFAOYSA-N 415.515 1.136 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCCOC3=O)CC2)c1 1664522582 ISVMLQAZOUWTAM-UHFFFAOYSA-N 407.492 1.598 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1669272064 GBQZXMWZCLMRNQ-NWDGAFQWSA-N 422.320 1.808 30 10 HDEE C[C@H]1CC[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CS1(=O)=O 1671875554 XCMUEVHPMXZQNX-PXZKZTPFSA-N 406.508 1.908 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 1684134891 CHUDSCHVYQEMGW-IAGOWNOFSA-N 407.511 1.883 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CCN3C3CCOCC3)CC2)c(F)c1 1685482749 BZMQSPIRUONNQM-GOSISDBHSA-N 401.486 1.782 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1689912993 FPMIVORKGOPKEZ-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCC(=O)N1CCOCC1 1689956912 KGRMNUWIZOWSQV-UHFFFAOYSA-N 404.474 1.812 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689996560 JVRLQVZZWRGLNY-SFHVURJKSA-N 423.583 1.317 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCOC1=O 1690034233 BASYKFXGXBRCGC-NRFANRHFSA-N 415.494 1.235 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnccc2OC)CC1 1690145929 BBRAYAVSTXSOEU-QGZVFWFLSA-N 424.505 1.200 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1690170527 MDWQCQKUNIEWLF-QGZVFWFLSA-N 413.551 1.709 30 10 HDEE C#CCSCCn1c(N2CCC(NS(=O)(=O)CC)CC2)nnc1C(C)(C)C 1690185977 JDCSHSKMHGYVLS-UHFFFAOYSA-N 413.613 1.850 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690343942 HVFITEYXPPXFDP-GJZGRUSLSA-N 422.917 1.691 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCCOC2)C1 1690674143 QNYLDYFUXMSYKU-FQEVSTJZSA-N 416.551 1.943 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690674315 WSQWSZGXNXTTDQ-HNNXBMFYSA-N 400.508 1.044 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccccc2C#N)CC1 1690725228 JAADVVPURQHTNT-UHFFFAOYSA-N 414.535 1.640 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@@H]2C)CC1 1692496674 WZYDFGIFVFAQND-MAUKXSAKSA-N 421.505 1.571 30 10 HDEE CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1696132945 BQKSJZBWYSFSRX-IRXDYDNUSA-N 413.478 1.966 30 10 HDEE CCOCc1nnc(N2C[C@H](C)O[C@H](CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696271112 RQMXMKLCTRGQDK-MNGLYYNBSA-N 418.498 1.345 30 10 HDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1696633208 UMXLHLYOACYIOY-UFOSLELVSA-N 409.450 1.092 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1698079663 RUJKBBXBFXWBPI-FVJLSDCUSA-N 416.526 1.755 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](COC)OC)CC1 1698087564 GNQQIWNMNCJJJI-LJQANCHMSA-N 414.510 1.247 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCCn2cc(CO)nn2)C1 1698483372 APDNBEGCMJAEPB-IBGZPJMESA-N 414.420 1.700 30 10 HDEE C=CC(C)(C)CC(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1702604449 QUFSVDVFPVFYCJ-GELUBGBASA-N 400.479 1.440 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705581374 ZXEOFXVBFGSOOJ-PKOBYXMFSA-N 416.485 1.355 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1705586624 PRGDUOXYCJEIMU-UZUQRXQVSA-N 403.486 1.963 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCOC[C@@H]1C 1705624142 RLPNOGKCFWVKQD-INIZCTEOSA-N 418.929 1.800 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1705629873 YKEKZHFALHDPKO-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(N3CCOCC3)CC2)CC1 1705640219 JLGSDLNPZPTAIG-UHFFFAOYSA-N 400.571 1.487 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1705660176 OTCSWLNNVDPYIE-HNNXBMFYSA-N 412.581 1.552 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)CN(C)C2=O)CC1 1705785541 MCTGFNOVGWGGBS-FIKGOQFSSA-N 403.527 1.883 30 10 HDEE CO[C@H](CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(F)(F)F 1711528972 CHHYJZFCYCMUCN-SWLSCSKDSA-N 424.431 1.931 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1712330720 MRZTYOIEIVPBMJ-STEAMIEHSA-N 411.478 1.232 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1712454290 LBWDUUVZVYNPDT-IERDGZPVSA-N 416.526 1.549 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1712541599 BOYAYGNQHVITOI-QRWLVFNGSA-N 414.514 1.718 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1722365512 FEGOKVLUVMNGHV-IAGOWNOFSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722428348 FZEGVEYYELGYRV-HRAATJIYSA-N 401.511 1.269 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722590548 FSMPMVWJBYIPHC-OAHLLOKOSA-N 411.572 1.902 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1722698168 VLQWKBVESBIHHE-UHFFFAOYSA-N 419.489 1.638 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(CC(N)=O)CC1 1722700079 VUAPBXDWXJEOAU-UHFFFAOYSA-N 414.485 1.402 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](CC)C1 1722701623 XPPXVGPGNFSLPP-SFHVURJKSA-N 413.522 1.989 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2ncccc2F)C1 1722709585 TUGDGUNEGBLLBC-HNNXBMFYSA-N 418.473 1.811 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722733604 ZBSWMNOLNSOLSW-UHFFFAOYSA-N 419.551 1.965 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCO[C@@H]1C 1730760869 CXBVCYORLQDDMW-UZLBHIALSA-N 400.483 1.555 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(CO)c1 1730874225 IAPTVANAFCCONA-CRAIPNDOSA-N 401.467 1.271 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1740555156 BZAOEDKCINJMLU-AWEZNQCLSA-N 408.549 1.328 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740598384 OLRLZLLYTFFHNI-IAGOWNOFSA-N 404.559 1.765 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)nc1OC 1740683478 IBBBHLFFEXSHDZ-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2noc(C)n2)CC1 1740783679 QGRKKTHVYGGYEH-UHFFFAOYSA-N 414.514 1.380 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740783991 DMLSRQCYAYATNM-UHFFFAOYSA-N 418.505 1.661 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740858634 WNOUOHTWLPFKNH-IKGGRYGDSA-N 410.588 1.918 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1740858690 XPNRNXQKPYEASC-LSDHHAIUSA-N 422.559 1.715 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1740932210 JGSLTMBPJAYZKD-MSOLQXFVSA-N 423.583 1.327 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1741128654 ZZMTVDHXYAEGRJ-CYBMUJFWSA-N 417.901 1.871 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1COCCO1 1741196086 JJCCQFRWEBPHBK-MSOLQXFVSA-N 402.543 1.849 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1743263138 RZYQSIKLARVMHD-UFOSLELVSA-N 409.450 1.092 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCC[C@@H]1CO 1748033579 JUNBSIMUCQWMNZ-UTKZUKDTSA-N 415.517 1.962 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1748757572 GUWRRURVYWQXGC-SFHVURJKSA-N 410.526 1.864 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H](C2CC2)N(C)C)CC1 1748994844 UDCRHXGFJNTGOK-JOCHJYFZSA-N 422.577 1.995 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1749055981 SFZYMOPFQTYGBG-NLEAXPPASA-N 404.511 1.462 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749099054 WAFTXGBYPBNSOB-KRWDZBQOSA-N 405.300 1.909 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCS(=O)(=O)CC1 1749653149 WYRBERYBDCHOQR-KRWDZBQOSA-N 417.535 1.357 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749666654 PETXQENKXWQDQM-UHFFFAOYSA-N 408.462 1.190 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1Nc1cnn([C@@H]2CC2(F)F)c1 1749677562 DAGVRJBIHVDXAR-CYBMUJFWSA-N 420.424 1.223 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1749686248 RNLHLYNNALRGCF-UHFFFAOYSA-N 419.551 1.925 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)COCCO1 1751307669 FKXVVKWKYAABBX-OAQYLSRUSA-N 412.494 1.916 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1760183763 DJARETPLCDIOGC-QZTJIDSGSA-N 418.519 1.233 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1760224963 DOCWXTLIQFFTAM-SJORKVTESA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1 1760232028 QJFOHMWPAKWOQL-UHFFFAOYSA-N 411.491 1.173 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@@]1(N2CCOCC2)CCSC1 1760250305 FODAJGXACJDRKB-NRFANRHFSA-N 419.595 1.525 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1760322102 NZPNHKTVSKTEPO-SQNIBIBYSA-N 424.567 1.370 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760366538 CAJXXSMRMZCNHO-MELADBBJSA-N 419.935 1.025 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1760594128 ARSAGVWYVRJYLU-ZWKOTPCHSA-N 414.535 1.918 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1767485422 VYCGDZFHOQTSEW-YLJYHZDGSA-N 405.499 1.476 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1769194931 GPIGKBLIOGLONK-GOSISDBHSA-N 409.494 1.305 30 10 HDEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1769320834 DUDHQZJRTUGSBC-QGZVFWFLSA-N 416.526 1.840 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2)[C@@H]1C 1772566376 IGAINJUBVCNFRP-SZMVWBNQSA-N 408.506 1.914 30 10 HDEE Cn1nccc1[C@@H]1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCC(=O)N1C1CC1 1772790655 SCSJCTNRJHKRKW-QAPCUYQASA-N 408.414 1.617 30 10 HDEE C=CCSc1ncccc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 1852024571 JTJBJXUWYIDRLR-UHFFFAOYSA-N 408.491 1.693 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)COc3c(Br)cc(OC)cc32)CC1=O 1852047731 NLXXMLTXFAHDIE-SNVBAGLBSA-N 409.236 1.744 30 10 HDEE N#Cc1cc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)ccc1F 1852456321 CUUKKKSKSLDJBV-LJQANCHMSA-N 401.463 1.978 30 10 HDEE CN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1)[C@@H]1CCOC1 1853032486 OMYRRUJYRFLWRN-UYAOXDASSA-N 413.499 1.695 30 10 HDEE O=C([C@H]1CCC(=O)N1Cc1ccco1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853332425 SDOSRAHXZDGXLK-LLVKDONJSA-N 407.370 1.641 30 10 HDEE CC(=O)N1CCN(CC(=O)N2C(=O)CCN([C@@H](C)CCC#N)c3ccccc32)CC1 1853634095 PJSAHCJEAJLCRH-KRWDZBQOSA-N 411.506 1.613 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1=O 1853828905 QHIDSGHZFWDFHB-QZTJIDSGSA-N 419.909 1.955 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCc4cc(OC)ccc4C3)C2=O)CC1=O 1853874516 QJXDVXLDWHPWJY-ICSRJNTNSA-N 411.502 1.605 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854033156 SZTKYRLZIPRBCR-SFHVURJKSA-N 418.519 1.181 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)c2ccccn2)C1=O 1854799292 VYIGOAZDNZCCMF-SFHVURJKSA-N 405.462 1.085 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4nccnc4c3)C(=O)C2)C1 1855045031 BEGCYHSNFUHJCY-FUHWJXTLSA-N 406.490 1.681 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@@H]2Cc3ccccc3O2)CO1 1855321577 NRCLURYMNBPBEH-WBVHZDCISA-N 400.412 1.410 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1 1855423218 ACDOBLQLQWPPLU-WBVHZDCISA-N 409.552 1.216 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1855603532 GTLKQSQEPGIPGG-HOTGVXAUSA-N 402.520 1.697 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855836794 BRSASLFQZOYWOE-SJLPKXTDSA-N 401.486 1.835 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nc(-c2ccccn2)no1 1855913272 RMYINMOGDFGRID-AWEZNQCLSA-N 402.414 1.876 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)c1 1856402906 DYACORIGMCTYKG-UHFFFAOYSA-N 405.476 1.671 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CC3CC(F)(F)C3)C(=O)O2)CC1 1856597847 VYHZKKZPYVKSKJ-CYBMUJFWSA-N 405.423 1.335 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCN3CCCC3)C3(CCCCC3)C2=O)CC1=O 1856834841 FFDKEOZJSRGFSH-IBGZPJMESA-N 416.566 1.490 30 10 HDEE CC(C)c1ocnc1C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857071252 HUQBCDQCJBCTOD-MRXNPFEDSA-N 408.462 1.628 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1C 1873546763 CVKHIWCWLYIVDP-UHFFFAOYSA-N 418.505 1.899 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](CCS)C(=O)O 1885475696 JOKPXNFBJRKFCY-GJZGRUSLSA-N 412.508 1.986 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889605292 IUDWHCDIJZEKFE-UHFFFAOYSA-N 421.563 1.116 30 10 HDEE CN(C(=O)c1ccc(Br)cc1[N+](=O)[O-])C1CN(c2nccnc2C#N)C1 1891713406 UGOROBCVGBXICT-UHFFFAOYSA-N 417.223 1.980 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(Cn3cncn3)C2)[C@H]1c1ccc(C#N)cc1 1892114951 QUFILUFAJNUDDV-WOJBJXKFSA-N 424.530 1.702 30 10 HDEE CC1(C)OB([C@H]2CCCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 1965483085 XQEGTVCVPKAUAW-UONOGXRCSA-N 403.375 1.992 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC[C@H](C#N)C1 2054402133 ALKWDOUXWUWWFJ-QZTJIDSGSA-N 406.508 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174777050 DTRNMPCLANNSLQ-GJZGRUSLSA-N 401.529 1.920 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174783115 YIPFVLWASAUWJB-HUUCEWRRSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)c1cccnc1C#N)C(F)(F)F 2174786527 KRXISDOFNOQVDD-JTQLQIEISA-N 408.402 1.935 30 10 HDEE COCC[C@]1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174789065 MFZOLCOGFAQFKJ-RHSMWYFYSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@](C)(CN)C[C@@H]2CCCS2(=O)=O)[C@@H](C#N)C1 2194924769 JAXJRVMDTSZMGM-MPGHIAIKSA-N 400.545 1.116 30 10 HDEE CC(C)(CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243387487 VEDFBBVAMGEAQP-UHFFFAOYSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2243431417 IIHQKUCTSPSGQF-CKNLXJGOSA-N 406.288 1.562 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2243673766 AHNBMPOOPBWEDS-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 2247816528 NPYFKYKHFPHGTD-INIZCTEOSA-N 411.315 1.119 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2247910125 JEUQEAUCFFWMFY-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CN(C(=O)OC(C)(C)C)C1 2247911586 WRWIHMYALGUEAW-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC(C)[C@H](N)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356377 LYZZMDUUMHUOOT-LLVKDONJSA-N 408.782 1.962 30 10 HDEE CO[C@@H]1C[C@@H](CN)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281946091 OHWNFJNJDAVREF-WDEREUQCSA-N 400.737 1.889 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@@H]2CS(C)(=O)=O)OC1(C)C 2282019841 QZJFERGZNDOVEA-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282026519 DHYVDDRFAQIRLH-LBPRGKRZSA-N 401.359 1.989 30 10 HDEE Cc1nc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282026572 DVXMOTJEBGMRQK-NSHDSACASA-N 400.331 1.058 30 10 HDEE Cc1cc(S(=O)(=O)N[C@](C)(CO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282307415 BORRSXOZLWZEAO-QGZVFWFLSA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)NC(C)(C)CC(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282310461 UJWMUIAEYGBUHA-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)CC1CC1 2282313216 IGEZXEMSGNELPA-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE CN(C)C[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332210 XRLXGQLBGBWFEC-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@H]1C[C@@H](C)NCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282336330 BMAVIXOCXBRETI-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE CC1(CN)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282419340 UNASYZUNPPOUCX-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H]3C[C@H]3N)c(Cl)c2)OC1(C)C 2282489155 FPEVRKYEJVGRJI-TVQRCGJNSA-N 421.155 1.918 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2COC[C@@H]2F)OC1(C)C 2282503970 IGLTZUJTTMOPHI-STQMWFEESA-N 405.684 1.654 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@H](N)C2)OC1(C)C 2282506899 YZVBFLIJSKVZMX-UONOGXRCSA-N 400.375 1.737 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCS(=O)(=O)CCN3)c2Cl)OC1(C)C 2282640657 QFOAHLVGSMKGAV-UHFFFAOYSA-N 420.749 1.076 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(F)CC(N)C1 2282832316 NDXZPKFOXDBIDD-UHFFFAOYSA-N 404.338 1.463 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCNC1 2282835503 VRSXXRBJJSCFDA-MNOVXSKESA-N 420.793 1.977 30 10 HDEE CN([C@H]1C[C@H](O)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282841389 NXAPIQVGNJBMSE-JOCQHMNTSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3C[C@@](F)(CN)C3)c2)OC1(C)C 2282848130 JLYODCIROLUGLP-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE CN([C@@H]1CCCCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850474 PIZQTJDJTJGUMB-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CS[C@@H](C)CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870261 PJPGFIBUUBVPIU-NSHDSACASA-N 403.379 1.448 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 2284398386 XJOXIXKHDJFHOS-QWRGUYRKSA-N 401.315 1.389 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284401164 FHAMOVSPIKXOND-MNOVXSKESA-N 401.315 1.497 30 10 HDEE C[C@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406759 CBBRYIUZMMLEBX-NXEZZACHSA-N 419.355 1.584 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)O)OC1(C)C 2284409502 JYNINRDFBWRUFA-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE CS[C@@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415266 WVJIVDGRWWRTDK-CABZTGNLSA-N 421.371 1.530 30 10 HDEE C=CCN1CCN([C@@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CC1=O 2346446366 OQEPYGDJQIVMHP-NRFANRHFSA-N 401.463 1.573 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365198979 KJJBGWKKLAXSEY-YJYMSZOUSA-N 401.525 1.684 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2365206580 ZNIQFMHBAZTYRV-XHSDSOJGSA-N 404.573 1.559 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2365206872 JVKPJGIQCVDHOG-LSDHHAIUSA-N 404.573 1.703 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)C[C@]2(CCCO2)C1 2365255608 YAJOGYSSTODMIH-RTBURBONSA-N 400.541 1.701 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2367792753 RMTAVFSNGHEBGX-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367795654 MYKKDUIJCMWPHR-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](O)(CC)CNC(=O)OC(C)(C)C 2367832167 XYEUJNLEXGWYIX-DNVCBOLYSA-N 402.557 1.601 30 10 HDEE Cc1cc(Cn2c(O)nnc(Br)c2=O)ccc1B1OC(C)(C)C(C)(C)O1 2369732701 VYYTXIAZPNMCIN-UHFFFAOYSA-N 422.088 1.762 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)Cn1ncc(Br)c(Br)c1=O 23558108 IXGOLAINGTVWJK-GFCCVEGCSA-N 406.078 1.823 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1/C=C/c1ccccc1 72443883 ONYIBFDOIKZNMM-MIVXPEEVSA-N 418.457 1.360 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H](CC)C(=O)O)C2=O)cc1 96567177 XFMCUEJEXKVGNH-YWZLYKJASA-N 403.435 1.388 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)NCCc2cccs2)CC1 301389652 ZKSZTKNQORJOLG-UHFFFAOYSA-N 418.544 1.842 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 409512426 IQVXYUVVWYADPP-BBRMVZONSA-N 406.487 1.715 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2cccc(Oc3ccc(C#N)cc3)c2)CCN1CCO 427444945 WCDNNHRNSYHHNZ-INIZCTEOSA-N 408.458 1.814 30 10 HDEE CN1CC[C@@]2(CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)C1 429004709 RBBGPRYXAQLWSU-JOCHJYFZSA-N 424.505 1.482 30 10 HDEE C=CCN(CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 440299040 XJZZPIYSAUKOON-AZUAARDMSA-N 405.564 1.567 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N=c3nc(-c4ccsc4)[nH]s3)CC2)c1C#N 448007778 BQDSMVKSUILDNW-UHFFFAOYSA-N 414.520 1.956 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCOC[C@@H]1C#N 461847003 CFMFESFZQNIDFX-HNNXBMFYSA-N 405.410 1.856 30 10 HDEE CCN(CC)C(=O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462105325 SPMREPAHTSRFPR-UHFFFAOYSA-N 410.482 1.157 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2C)n1 480043670 OTURTTISEBKUGR-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C 482310943 FFAFOHMXHSJHKD-CXAGYDPISA-N 403.508 1.862 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 482836991 OQPXXUMANGBITR-UKRRQHHQSA-N 407.492 1.415 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)n(C)n1 490344943 KQSYTUIQOPNTKE-ZWKOTPCHSA-N 409.494 1.827 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 508815523 BLXNACGUURCQOE-SJORKVTESA-N 411.510 1.658 30 10 HDEE C[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCCCC1=O 527258518 ATSQZVQAVDJNKM-PBHICJAKSA-N 411.462 1.280 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccon1 531684091 QKTMDBGJWPVIEQ-UHFFFAOYSA-N 422.491 1.752 30 10 HDEE CN(C)Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 532042660 ZVBLEPGRLWHOAN-UHFFFAOYSA-N 418.544 1.828 30 10 HDEE CC(C)CN(C(=O)CN(C[C@@H](C)C#N)C1CC1)c1c(O)nc(=O)n(CC(C)C)c1N 533599490 SFRSWYMDKFYCBS-HNNXBMFYSA-N 418.542 1.800 30 10 HDEE CCOc1ccc(OCCNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1 546918657 SYDGCAXQCSESPR-UHFFFAOYSA-N 409.490 1.669 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1C[C@@H]1CCCO1)CC2 555388759 DOJCFJDZCSQTTN-SFHVURJKSA-N 417.473 1.652 30 10 HDEE Cc1c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c2ccccc2n1C 559962956 XOWLEOKCJPVRKI-UHFFFAOYSA-N 400.464 1.719 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 560721218 YMWFMSBWSHQENG-MRXNPFEDSA-N 409.508 1.608 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCc3onc(C(=O)O)c3C2)cc1Br 580858123 LDTXHGIPNOJYGO-UHFFFAOYSA-N 412.221 1.754 30 10 HDEE CCC[C@]1(c2ccccc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 584431949 IKIJZZTYQUIGSQ-HXUWFJFHSA-N 412.471 1.974 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NCC(C)C)cc21 586311933 CLTLQAGLQRZTAI-POXGOYDTSA-N 406.504 1.690 30 10 HDEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)CCC1 589228133 NTQKTUCSUIANCV-AWEZNQCLSA-N 412.309 1.946 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccncc2)C(=O)O)cc1Br 590599874 HIYPGXLBYGSMNO-AWEZNQCLSA-N 410.249 1.690 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCCO1 603799790 UDRMLVWIRIVDDT-AWEZNQCLSA-N 415.540 1.276 30 10 HDEE CS(=O)(=O)NC1(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CCCCC1 604028951 ACDRYMUPCGOESD-UHFFFAOYSA-N 405.929 1.742 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)c(F)c1 609240572 SPACTOYEXJRVCX-UHFFFAOYSA-N 410.453 1.793 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1S(=O)(=O)NCC#N 609533789 CHMSAMHLMRYTQQ-KRWDZBQOSA-N 418.519 1.272 30 10 HDEE C[C@@H](C#N)CN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CC1 611086807 YGPZDZAESXJEHH-AWEZNQCLSA-N 417.535 1.907 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1 730297829 MPHIQSJEPGVSFZ-SFHVURJKSA-N 409.467 1.933 30 10 HDEE CCc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1cccc(Cl)c1 732155727 DGRSSBYALUCILP-HTXNQAPBSA-N 414.853 1.739 30 10 HDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155862 HHNKNCLFBCNNCA-CZHUJUOQSA-N 424.501 1.629 30 10 HDEE Cn1ccnc1[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1 732440908 CQMCCERCJWVMJF-GWOGKKTRSA-N 412.425 1.474 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCN1C1CC1 732705851 HVDAIUZTGZCJER-LBPRGKRZSA-N 409.349 1.333 30 10 HDEE N#CC1(C(=O)OCC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CCC1 736842004 QWHDMWUTZYRWKM-AUWJEWJLSA-N 417.487 1.368 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 746857495 HNCZQJKIWXWBIS-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCc2ccnc(C#N)c2)cc1 746959889 NQFKUPOVNSZWJS-UHFFFAOYSA-N 403.416 1.152 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 747382154 TXIFDVSUZGQGSY-YGMPWRRSSA-N 410.521 1.359 30 10 HDEE C#CCCN1CCC(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 755390722 DINOXQRGOVVEIC-KRWDZBQOSA-N 406.527 1.106 30 10 HDEE COc1cc(CN2CC[C@@H](Nc3ccc(S(N)(=O)=O)cc3C#N)C2)cc(OC)c1 756134865 RMLDRJAKXFYFDJ-MRXNPFEDSA-N 416.503 1.909 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(-n3cccn3)c2)c(=O)n1-c1ccccc1C#N 760381176 BCQQIINHCOXXQJ-UHFFFAOYSA-N 420.457 1.983 30 10 HDEE N#C[C@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CCN1C1CC1 762985041 ZRXKRNBUGWAWIL-JTQLQIEISA-N 407.343 1.644 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 766788599 ZSFQLQMIFXPPBR-IBGZPJMESA-N 400.456 1.517 30 10 HDEE Cn1cc(/C=C\C(=O)NCc2ccc(-c3ccccc3C#N)cc2)c(=O)n(C)c1=O 773361610 WIFVLSFLRQLHIT-QXMHVHEDSA-N 400.438 1.952 30 10 HDEE CNS(=O)(=O)CCCOC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 777060470 MDKZFEOZCCEPEJ-UHFFFAOYSA-N 422.463 1.505 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780963421 BFPAOMVXIVWYAI-IBGZPJMESA-N 408.418 1.243 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/Cc2ccc(Br)cc2)NC1=O 781099274 FFYFEBRBOUHGDD-CYBMUJFWSA-N 413.341 1.605 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)n1 790105263 VWVQEBXJGDZTPB-PMACEKPBSA-N 400.523 1.920 30 10 HDEE COC(=O)C1=C(COC(=O)[C@H](C)n2cnc(C#N)n2)N(C)C(=O)N[C@@H]1c1ccccc1 798745278 QNOYHSLJBPVCSC-YVEFUNNKSA-N 424.417 1.077 30 10 HDEE CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801937666 SIZUOJSSVUZCAD-INIZCTEOSA-N 400.508 1.545 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 805783393 XDQBRVRDULYJLR-UXHICEINSA-N 421.563 1.703 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807938626 ZUUVXKQCPBKCOA-KRWDZBQOSA-N 408.487 1.597 30 10 HDEE COc1cc(OC)c(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 810163843 KCOVQPZLKOLDLV-UHFFFAOYSA-N 419.459 1.179 30 10 HDEE C#C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812748067 MOEPHCULCBQDCK-KRWDZBQOSA-N 405.407 1.845 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 816908378 CFKXIFMFOOUDBB-NOTNZGAASA-N 410.446 1.367 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1 1129829477 AGXPUUVHRUSMBH-KRWDZBQOSA-N 418.519 1.496 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1130700617 FGXZSMUTGFRFHC-UPJWGTAASA-N 406.401 1.405 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)Nc2cccc(F)c2)s1 1142774816 AASINLGVMCBWNM-UHFFFAOYSA-N 411.480 1.649 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 1144027871 QHUXVOPLSXZXEQ-UHFFFAOYSA-N 402.804 1.651 30 10 HDEE CN(Cc1ncnn1CC(F)F)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1156559840 DEZYJCOBGQBWKA-UHFFFAOYSA-N 401.370 1.252 30 10 HDEE CCn1ccnc1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1159751887 AVVLZBVFWWYLGD-OAHLLOKOSA-N 403.508 1.673 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1159761931 JOPJZSLNTVVKON-JTQLQIEISA-N 403.298 1.250 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCO[C@](C)(C#N)C2)ccc1C 1176577571 DMKGGURPMQUVSU-LJQANCHMSA-N 408.524 1.579 30 10 HDEE Cc1ccc(-c2noc(CCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)n2)cc1F 1180990414 RHJHQJUZDBAIKD-UHFFFAOYSA-N 424.392 1.334 30 10 HDEE C=CCN(C(=O)Nc1nc(C(C)(C)C(=O)OC)cs1)[C@H]1CCS(=O)(=O)C1 1205514835 KOAGIICRPJJNMP-NSHDSACASA-N 401.510 1.801 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)C(C)C 1211221348 DVFSFYMAQFDWPG-KRWDZBQOSA-N 410.559 1.966 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1286286526 YTQYPSAAYLJSHK-GUYCJALGSA-N 405.462 1.873 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(S(C)(=O)=O)CC1 1286335287 IUXLHBYSPCDPNM-UHFFFAOYSA-N 409.556 1.623 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(SCC)c1)[C@H]1CCS(=O)(=O)C1 1286382585 JMCARMOJPQQFOB-INIZCTEOSA-N 405.549 1.769 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1286410891 JKBXNFKHUCHXNJ-HXUWFJFHSA-N 414.517 1.739 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1286466320 GVJGRGHQEMIAJV-OAHLLOKOSA-N 403.449 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)C2CC2)CC1 1286494224 STUYLRCVTHOLOR-FUHWJXTLSA-N 414.554 1.231 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1286494276 LHKIOMBFXGGBSW-HNNXBMFYSA-N 402.528 1.216 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286506557 XJRIHUINHVUHTL-UHFFFAOYSA-N 401.540 1.430 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1286550006 YTIXZDJDDDJOAW-MTSZKFMLSA-N 423.583 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC2CC2)CC1 1286818315 GNOIOKNGDHAZHE-UHFFFAOYSA-N 404.540 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCSCC2)nnc1[C@@]1(OCC)CCOC1 1286824377 BWRZQYPCFUSMQT-QGZVFWFLSA-N 416.569 1.084 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1286965222 ICIZMZTXEBQRJC-HZPDHXFCSA-N 407.482 1.732 30 10 HDEE Cc1cc(C(=O)N2CCc3c(CC#N)cccc3C2)nc2c1c(=O)n(C)c(=O)n2C 1287461177 MLTVIUKPYOPWKN-UHFFFAOYSA-N 403.442 1.205 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1 1287988724 JDYYOBHAPFNSAZ-UHFFFAOYSA-N 411.455 1.529 30 10 HDEE C=CC[C@@]1(C(=O)NCCS(=O)(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1289291334 VSDFPIYJKGZMCY-IBGZPJMESA-N 415.556 1.874 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)on1 1290971548 WACXFTWHERRDIA-APWZRJJASA-N 402.455 1.392 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](C(C)C)N(C)C)CC1 1299464336 XFVWPNPJVJBDQX-WMDQAZIPSA-N 401.551 1.449 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1300267025 COAVXGLGFGSQTB-HNNXBMFYSA-N 409.494 1.832 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCN(CC)CC1 1300267972 MIRHBTODGCGPNQ-MSOLQXFVSA-N 417.602 1.680 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCC2(O)CCOCC2)c1 1300334738 RTJJAYIEAFVMGB-UHFFFAOYSA-N 411.506 1.828 30 10 HDEE COc1ccncc1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300693396 FYDYNYVWQYBWHZ-UHFFFAOYSA-N 407.482 1.279 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1300760806 GWPRFWPPDZVNFU-GOSISDBHSA-N 421.611 1.943 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCCN1CCOCC1 1300813665 OQFCTGWLCLDAJV-JOCHJYFZSA-N 414.554 1.505 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300870179 QWBUVBZNYZEREP-TZIWHRDSSA-N 416.570 1.702 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1301270059 BCYOEBAWRBEBIF-RTWAWAEBSA-N 403.527 1.952 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1302443024 COJAALJVBAZDLO-MRXNPFEDSA-N 401.515 1.522 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)CCO1 1303009317 IFKSHNGNEUBOQV-SNVBAGLBSA-N 419.230 1.117 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1303932858 AWOYGHCTJCHJNO-PMACEKPBSA-N 415.519 1.625 30 10 HDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1304188566 AZUTWUSLHVOGAW-UHFFFAOYSA-N 407.478 1.709 30 10 HDEE CC(C)c1cccc(-n2cc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)c1 1304273707 ZZSYXVZVBFLOHR-MGPUTAFESA-N 414.487 1.712 30 10 HDEE CC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1306446465 PUNYZGYLBDTXQG-AMGRQBIBSA-N 400.483 1.372 30 10 HDEE CC[C@@H](CC#N)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1307825112 DXHFTTYCWBCGCC-IBGZPJMESA-N 418.563 1.680 30 10 HDEE C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H](C)C1O 1307918711 JMLWAGKIVJGHGF-GJZGRUSLSA-N 413.478 1.404 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(CC(=O)N(CCC#N)c2cccc(C)c2C)C1 1307936244 BOIJQLWYGUFHGD-PKOBYXMFSA-N 415.490 1.977 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)CC1 1308155471 DRHKXRUBLRDUBU-CRSFFPMXSA-N 400.498 1.531 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCn2cncn2)CCOC1 1314081082 HDBDLOUASRPMCG-NRFANRHFSA-N 422.493 1.730 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)nc1 1316099991 HOBMAJLQAZSJSH-UHFFFAOYSA-N 407.482 1.611 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1320349628 CCVGPSWKJCLWJO-KRWDZBQOSA-N 409.508 1.194 30 10 HDEE Cc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1NC(=O)CCN(C)C 1320414789 DVRKWLPKZRNVNM-MRCUWXFGSA-N 413.478 1.740 30 10 HDEE C[C@H]1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccsc2S1(=O)=O 1343789170 BRJVUROPTDJGHE-YBDCHGGOSA-N 409.489 1.388 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1358870364 LQJVDDXZVITRSG-HUUCEWRRSA-N 416.507 1.208 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1358887165 QSCMIJJGRWRBDH-CQSZACIVSA-N 407.478 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1358887453 XNQNFZOKSQXDBM-ZDUSSCGKSA-N 400.483 1.769 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1358915379 AUZFYGIFUBFHDR-OAHLLOKOSA-N 414.535 1.775 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1358953330 SZYPUTSXBWVXAZ-UHFFFAOYSA-N 411.506 1.825 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCCCO2 1358967358 IZUJBPNBTAUGKX-UHFFFAOYSA-N 419.485 1.797 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@H]1CCCC[C@@H]1C 1358978146 DXWLUGUAPVEZIY-OTWHNJEPSA-N 418.563 1.848 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1359035819 FIACTQXYBXLDBR-MOPGFXCFSA-N 400.571 1.658 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359221210 USOFQNYUDJNYNN-JXFKEZNVSA-N 404.515 1.452 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1359240073 FNLZBYOXDURXRA-KBPBESRZSA-N 401.558 1.129 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1360369349 HXKRFWQBZIUMBR-OCCSQVGLSA-N 423.922 1.989 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1438202942 JTFOBZUCNSTTEE-YRVVQQKDSA-N 411.499 1.515 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)cc1 1450172276 XPRLSZFYYOSEQN-QGZVFWFLSA-N 417.443 1.410 30 10 HDEE C=CCNc1ncc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)s1 1452941633 LQWSVZCXYRGKKH-UHFFFAOYSA-N 421.548 1.533 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cncc(OCC(F)(F)F)n2)cc1 1457923034 FXZBALKQNRFNFK-UHFFFAOYSA-N 414.365 1.582 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2Cc3ccc(C#N)cc3C2)cc1 1461183143 VWUNFRFRTWREGC-UHFFFAOYSA-N 412.471 1.680 30 10 HDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCC2 1461285960 COUQRCBCDJWLCI-KRWDZBQOSA-N 414.487 1.385 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCN(CCO)CC1 1464043308 XKJFDAKGPLNRLT-LJQANCHMSA-N 414.506 1.529 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)N[C@H]3CCN(O)C3=O)c2)c1 1468374751 WRUGXNVBFIYCNV-INIZCTEOSA-N 415.402 1.382 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1)C(=O)OC(C)(C)C 1468738570 MZVXOLRWUQTXKY-AWEZNQCLSA-N 406.508 1.686 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1 1468880727 DAYWRDOMJDJPBK-MRXNPFEDSA-N 400.456 1.970 30 10 HDEE C#CC1(O)CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1470365702 YIJZXSFTXWYMGF-KRWDZBQOSA-N 402.447 1.221 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)n1 1470597388 NJMYXXBEGVLYCP-INIZCTEOSA-N 402.476 1.283 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2c(Br)cnn2C)n1 1471054146 XBBJAVQRXFIXJG-UHFFFAOYSA-N 409.288 1.371 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)NCCOC(F)(F)C(F)(F)F)C1 1471239829 WRSBKEDFLDSNHI-SECBINFHSA-N 401.254 1.868 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)OC1(C)C 1471647973 OAXNIIKROMPKRI-HNNXBMFYSA-N 400.350 1.885 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCn3nc(C(F)(F)F)cc3C2)cc1 1472207171 YICHDUATSGUWDU-UHFFFAOYSA-N 412.393 1.731 30 10 HDEE COCCN(CC#CCN1C(=O)c2ccccc2C1=O)CCC(=O)OC(C)(C)C 1473868109 IEEPWFFBMHYKMX-UHFFFAOYSA-N 400.475 1.966 30 10 HDEE CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1502324688 UBLIIXYSBFXBEU-ZJYNUGOYSA-N 424.509 1.330 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnnn1C 1507533654 SHDDDBAMQBIBTI-HNNXBMFYSA-N 406.498 1.087 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1507552916 ALPXLECTPHCXAS-HUUCEWRRSA-N 410.434 1.843 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507635261 VHYXMLJRXDJUOE-GOSISDBHSA-N 407.584 1.589 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2)CC1 1507723555 MOAXHTVRYLFQHY-IBGZPJMESA-N 424.574 1.918 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@](=O)CC)CC1 1507729317 ZONNUBALIBCOTG-HHHXNRCGSA-N 406.581 1.158 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1507747787 LGFYILAOJQJRID-UHFFFAOYSA-N 424.530 1.478 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(C)C)C1 1508079370 SJIWSGBFJIQODZ-SFHVURJKSA-N 413.478 1.837 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCc1cnccn1 1508086114 LEQUHIOVOVTXOF-UHFFFAOYSA-N 409.469 1.779 30 10 HDEE CCNC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1516013101 WNNCVYDIDHADFA-HNNXBMFYSA-N 413.482 1.537 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1523938111 WSDRDBVBOFVFKU-XYPHTWIQSA-N 406.446 1.700 30 10 HDEE C#C[C@@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)c1ccc(Br)cc1 1528497058 IUJHKFWVMBJAJF-CQSZACIVSA-N 422.304 1.758 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1Br)[C@H]1CCS(=O)(=O)C1 1528600146 SSFFTTOARKIXMB-AWEZNQCLSA-N 422.304 1.897 30 10 HDEE CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@H](C)C#N 1533905776 CWINJNGABCGAEG-HZPDHXFCSA-N 420.535 1.831 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nccc(-c3sc(C)nc3C)n2)C1=O 1534573881 AYJFGPJWIBDDDD-UHFFFAOYSA-N 414.447 1.157 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1539141503 VEAIVXRYECFQEL-HXUWFJFHSA-N 403.483 1.422 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1539223981 AVYPZSFNGSFFMG-IRXDYDNUSA-N 412.531 1.622 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCO[C@H]1CCCC[C@H]1C 1539414226 SDVZXXXLSDOQSW-SQNIBIBYSA-N 403.527 1.911 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1540086934 ILHAQHBQRFNXLT-UHFFFAOYSA-N 420.535 1.727 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(C)n1 1540177347 NZCRHLDBTVWCIF-UHFFFAOYSA-N 420.521 1.926 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](OC)C1 1540864313 WALDJYBNBOUEJM-GFCCVEGCSA-N 409.288 1.563 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](COC)C1 1540875112 BQNKUVXRAUXTPP-HNNXBMFYSA-N 419.457 1.150 30 10 HDEE COc1cc(C(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)ccc1C#N 1543653506 GKGDUAFFFONBAN-IBGZPJMESA-N 410.478 1.518 30 10 HDEE C#Cc1ccc(CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1544038225 FHUKYIOXZHOAKY-UHFFFAOYSA-N 405.497 1.416 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)COc1ccc(C#N)c(Br)c1 1544160363 LZLJAXWIFKXLMI-DYVFJYSZSA-N 411.252 1.879 30 10 HDEE C#Cc1ccc([C@@H](OC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)C(F)(F)F)cc1 1544656217 RGGGYUJOHGWVOJ-OAHLLOKOSA-N 420.347 1.262 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Cc3nccn3C)C2)s1 1545485598 PUJWNYNXJHLSEX-OAHLLOKOSA-N 422.576 1.970 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1545689628 GJMYBKXXWYVYPL-RHSMWYFYSA-N 409.494 1.433 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC12CCOCC2 1555669999 RNGQSLGVDAAJTK-ZACQAIPSSA-N 405.499 1.548 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)c2C1 1557913961 BNLYUEOFWCLFEA-JTSKRJEESA-N 406.490 1.674 30 10 HDEE N#CCCn1cc(C(=O)N2CC(N[C@H]3CCOC3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1558549788 SNHNPPWIZTUPMP-HNNXBMFYSA-N 410.434 1.575 30 10 HDEE COC[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1564547970 ZJBPLVDVLVMXPJ-RTBURBONSA-N 400.479 1.794 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1Cc2ccccc2N(C)C1=O 1565054385 INDWYBARLVSMPO-ZBFHGGJFSA-N 405.462 1.156 30 10 HDEE O=C1C=COC2(CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)C1 1565163725 NGRJJDVSZKJRKB-IBGZPJMESA-N 400.479 1.330 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1565195629 DIPGPCKXELWZMT-RLLQIKCJSA-N 403.548 1.586 30 10 HDEE N#C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1569055085 KCTRYEUFWMZEFN-BPLDGKMQSA-N 415.309 1.043 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 1570279931 YAVJJATZRPELAK-QAPCUYQASA-N 415.515 1.756 30 10 HDEE C#C[C@H]1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1570816840 ISWKUDVCPZMQSX-INIZCTEOSA-N 406.504 1.130 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(OCCOC)CCOCC3)cc2C1=O 1583109126 BUIWRBPMFMGZKR-UHFFFAOYSA-N 402.447 1.411 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1587625845 CPLPGXLJHHSALH-XJKSGUPXSA-N 401.492 1.139 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1587813962 ZSRDSQAOKBUDLT-GOEBONIOSA-N 404.471 1.685 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588030508 WPRDJNQNJUORSQ-OAHLLOKOSA-N 416.507 1.352 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CCC)CC1 1588806219 JVSFMVXFKUYVRC-MOPGFXCFSA-N 413.570 1.249 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1593741728 WDTMQLAQWFUEAC-LSDHHAIUSA-N 400.487 1.292 30 10 HDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1595664479 FISIYMAMNJFLLM-SFHVURJKSA-N 422.489 1.742 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595672439 AXGOMAXTMNBISG-HOTGVXAUSA-N 411.572 1.638 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1595901191 QIXREPXYPXJUJH-QGZVFWFLSA-N 400.570 1.749 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1598269057 BYCDOZMLWDQBHC-MDZDMXLPSA-N 406.486 1.984 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 1611039188 CJFKMDLFARJISL-HLLBOEOZSA-N 401.467 1.086 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(-c3ccncc3)c2)s1 1611363780 DYQGVJGFOUDNHP-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE N#Cc1cc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ncc1Br 1612177895 VIFXUIUSGPQEFY-ZDUSSCGKSA-N 415.313 1.347 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)on1 1612644847 CRMOHEMQMHQBHI-INIZCTEOSA-N 412.475 1.785 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 1616344459 HSSHVGGYLVQRPY-UHFFFAOYSA-N 400.460 1.789 30 10 HDEE C[C@@]1(C#N)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CCO1 1617896333 ZNZCWSCBGGTGAT-IAQYHMDHSA-N 403.913 1.696 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1618208874 IKQMUPSTIQGELO-TWOQFEAHSA-N 403.504 1.858 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)[C@H](O)c2ccc(C#N)cc2)ccc1OC 1618618093 QPKWXYDZFWDMRT-GOSISDBHSA-N 419.459 1.164 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1C(C)(C)C 1620085277 YOFWSGOZWITSEV-ZOBUZTSGSA-N 416.530 1.993 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(N)=O)c1 1620358709 BXQYTTFWGSQQRZ-QGZVFWFLSA-N 407.478 1.506 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)C(=O)OC 1626208332 LYGVNRSYDUNEOP-GJZGRUSLSA-N 413.268 1.487 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)CC1 1630038983 KDHRMYYMDHIECQ-IAGOWNOFSA-N 404.532 1.954 30 10 HDEE COC(=O)[C@@H](O)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1631119934 KXMJVVHXYDLHKX-CVEARBPZSA-N 411.499 1.736 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)/C(C)=C/c2ccc(Br)o2)CC1 1632623402 DHCNAEVNXXMKDO-WYMLVPIESA-N 408.296 1.729 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1634171551 NYYYAXASJMFJQM-AWEZNQCLSA-N 421.498 1.506 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1634187734 FJWICXWOGAKMGF-YRGVVPAESA-N 410.474 1.941 30 10 HDEE C=CCn1cc(C(=O)NC[C@@H](Oc2ccc(Br)cc2)C(=O)OC)nn1 1636265086 PPZYDEUSIXMXAQ-CQSZACIVSA-N 409.240 1.577 30 10 HDEE COC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1637400913 BBTRXKCSKCSMHR-AWEZNQCLSA-N 424.335 1.260 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(CC(N)=O)C1 1637733239 SPCCFTITTNDGQF-SSDMNJCBSA-N 406.508 1.054 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CC(F)(F)CO)CC2)cc1 1639385404 PHZBXVHIMRIBRT-UHFFFAOYSA-N 415.462 1.149 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 1640208691 TVOTUKCGIZBAMD-XBBWARJSSA-N 419.503 1.842 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cn(C)nc1[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1641574562 OVJHNYAQFHHKGH-ROUUACIJSA-N 410.474 1.660 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2)c1 1641923335 GWXQTWKKGUIPBV-NSHDSACASA-N 407.389 1.879 30 10 HDEE CC1(C)CCC[C@@](O)(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1643537089 RISOIVACZSTDIY-FQEVSTJZSA-N 407.536 1.953 30 10 HDEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1643916263 UFVRWBVQQADCBS-SFHVURJKSA-N 412.462 1.033 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(CN(C)C)cs1 1644883902 JOSPCUNRCMAZEC-GFCCVEGCSA-N 407.521 1.060 30 10 HDEE N#C[C@]12CN(C(=O)c3c(Cl)ccnc3Br)C[C@H]1CS(=O)(=O)C2 1645997768 NOBBJMSJGOTQJJ-ISVAXAHUSA-N 404.673 1.508 30 10 HDEE CN(CCn1cnnc1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1651264548 KUKOUVLEGWVXRL-UHFFFAOYSA-N 404.496 1.036 30 10 HDEE C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CCCON2C(=O)c3ccccc3C2=O)C1=O 1652353436 NGRABCHOLLSTIT-JOCHJYFZSA-N 418.409 1.943 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCOc1ccc(OC)cc1 1653725096 BXCMTOGXSPNOQY-HNNXBMFYSA-N 403.522 1.469 30 10 HDEE Cc1cc(Br)ccc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653759786 JJLCAYUKCLKXHL-UHFFFAOYSA-N 403.236 1.518 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)nn1 1654645740 HOIVSDXMWZXPFP-IRXDYDNUSA-N 404.515 1.994 30 10 HDEE COCCN(CCC(=O)OC(C)(C)C)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1655829630 CXNYFGZEDKMXAG-GOSISDBHSA-N 410.559 1.359 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N(CCN2CCOCC2)Cc2ccco2)c1 1663871536 BJXMWLOLMBUFLX-UHFFFAOYSA-N 407.467 1.955 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1665010835 GBQBJNDMHHSAPU-UHFFFAOYSA-N 417.556 1.910 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1668245824 QBDSSRLMKGYCHQ-UHFFFAOYSA-N 415.538 1.400 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(CC#N)cc1)CCS2(=O)=O 1673935932 BNXRAYNGXCAQDK-OHTSDLOESA-N 419.503 1.451 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1680436192 YFBBQPMOBRNEHW-ULQDDVLXSA-N 420.539 1.257 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)nn1 1682167009 KKKVZIPLXMAXRA-UHFFFAOYSA-N 407.482 1.744 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)C1 1683593998 GPQURNSMIQXHSB-IAGOWNOFSA-N 406.527 1.106 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1686106247 SGBDFLPXMUXJRZ-UHFFFAOYSA-N 422.503 1.654 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)nn1 1686847916 JSQMPZOWKLZGBH-OAHLLOKOSA-N 419.283 1.609 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(c2ccncc2)CC1 1687835325 FPYKIWKNTJLGQM-MRXNPFEDSA-N 406.494 1.632 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H](C)C1 1689827473 FSCYSVTWZMQZFU-OKZBNKHCSA-N 424.615 1.858 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1689996976 SMXOQEKJWDWKLE-OXJNMPFZSA-N 424.567 1.383 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC1 1690122215 KRLFMPAULYVMHR-LJQANCHMSA-N 414.554 1.724 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1Cc1nnn(C)n1 1690214688 SCNZXMCJQSIQRD-HXUWFJFHSA-N 408.466 1.430 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CCOC)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690677071 MBLSLGVCPNMFCI-GASCZTMLSA-N 422.530 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)OC1CCCC1 1690730116 WUXZRLPZZRDABK-UHFFFAOYSA-N 411.528 1.312 30 10 HDEE COCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1697999655 FVBCNRXAJZWTFL-KRWDZBQOSA-N 412.498 1.217 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1705477618 QKIRATWNHGXNPK-HOTGVXAUSA-N 417.535 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1ccnn1 1705597477 GSUOLUIIWQLDOI-HXUWFJFHSA-N 417.473 1.935 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705659901 JAJAEVWMCAELPS-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)CC 1705717912 VFFXLAQRRBDNNN-CQSZACIVSA-N 404.558 1.017 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705762303 UMVPNUQZDLVNNM-UXLLHSPISA-N 409.918 1.956 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCOCC2)CC1 1705775630 HEJLQYHONGYDRX-KRWDZBQOSA-N 402.543 1.637 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705828787 YYIKVOYXZCCDLC-LJQANCHMSA-N 401.471 1.302 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](CNC(C)=O)C1 1705899359 QBYWTVFSRRDFRO-MRXNPFEDSA-N 414.485 1.739 30 10 HDEE Cc1cc(C)n(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)n1 1707838447 DSVANJGVVGBSFX-KRWDZBQOSA-N 412.498 1.147 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCC(F)F 1712639899 NYNAELGADWLMFL-JDFRZJQESA-N 403.405 1.726 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(OCC(N)=O)c2)C1 1712877284 HCYDSWPSHZGMJU-UZLBHIALSA-N 414.441 1.484 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@H]1C 1722341814 MXVCBFXEKSIMGT-GOSISDBHSA-N 410.522 1.937 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369162 ZGVVGCCMICPPJF-BRWVUGGUSA-N 410.540 1.080 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1722377648 GLODGRZVFCCVQR-SFHVURJKSA-N 418.476 1.840 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCOC1 1722423743 NIDBJCGYGOKXFL-KRWDZBQOSA-N 422.493 1.433 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccnc2OCC)CC1 1722439423 BCNOTPZYUJGANF-UHFFFAOYSA-N 417.517 1.861 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1722632481 VUICXQWIFYKXLV-UHFFFAOYSA-N 405.524 1.886 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722696202 DZTHUXUYXKGNOY-INIZCTEOSA-N 406.494 1.760 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1722707090 GHYQUWASKFRJLC-IAGOWNOFSA-N 408.462 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOCC2(CC2)C1 1722725351 KDZMGHUTBZPYDL-UHFFFAOYSA-N 405.524 1.501 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722737300 AHADUYPMYHBWMJ-AWEZNQCLSA-N 408.553 1.668 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCS(=O)(=O)C1 1723169107 VWLYRZMHZMWSRF-CYBMUJFWSA-N 416.507 1.371 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726567589 PUBFGUNOAVPJGH-NHWLHPCLSA-N 400.483 1.545 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1728187853 ZIUZYJPOPGDVGX-IAGOWNOFSA-N 424.461 1.847 30 10 HDEE CS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1731008858 CWFGNHQZAOQUDS-UHFFFAOYSA-N 420.495 1.180 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1740536215 ASQAMMDFJDAORV-CQSZACIVSA-N 415.494 1.953 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1740600499 LUDVUMRLVNNKOY-CYBMUJFWSA-N 407.496 1.023 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2nncn2C)n1 1740687772 LBJHIUUFWONURP-UHFFFAOYSA-N 411.514 1.235 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(C)COCCO2)CC1 1740704885 VQJWXTRCXADWHG-NRFANRHFSA-N 412.494 1.045 30 10 HDEE CC(C)N(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1741608850 DGSMLMIPRYSZFA-QFBILLFUSA-N 412.494 1.860 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1742021720 LPWXUKHEOBFHHG-OAHLLOKOSA-N 409.450 1.724 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748483044 DGQGKNRTFRQGPU-VLGSPTGOSA-N 412.450 1.598 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)COC)CC1 1748757772 KQTPBZCGTCZNMB-UHFFFAOYSA-N 411.506 1.608 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748811133 CEABSDFHNGLKQV-JXFKEZNVSA-N 417.535 1.479 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748830282 SWLNUILSVOCWRJ-YADHBBJMSA-N 411.506 1.014 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCC1 1748863709 DSQOACSRAFITPN-OAHLLOKOSA-N 409.581 1.637 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC 1748962993 VXDWJWKVHDJXGH-KRWDZBQOSA-N 418.519 1.323 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)CN2CCOCC2)CC1 1748984238 NSPOKUKSGOKXEB-LJQANCHMSA-N 411.554 1.007 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCC)CC1 1749015302 CCXQKVUDEOFPIQ-UHFFFAOYSA-N 413.526 1.142 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1749475401 DWAOWHKDAGKHOG-AWEZNQCLSA-N 404.492 1.773 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1NC(=O)CC1(C)C 1749600672 IYTNEVOVWHDWIM-QGZVFWFLSA-N 415.542 1.693 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1749697382 JPSUXUDBLHUURO-OAHLLOKOSA-N 411.553 1.716 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCS2(=O)=O)C1 1749719480 WFSIGZXDVUJNLV-GVDBMIGSSA-N 410.540 1.878 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC(=O)N1C 1752311935 HSHVMFADIUWURV-INIZCTEOSA-N 411.510 1.062 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NC 1760105189 MFMAHHHIPICFBG-AWEZNQCLSA-N 407.482 1.151 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760151760 NFHWRCILYVZDJE-UHFFFAOYSA-N 413.526 1.461 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760183799 TWYCBAHFEMHGOP-DOTOQJQBSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1760187403 CXMYIEVMNFTFCA-YRNRMSPPSA-N 419.551 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC1(O)CCOCC1 1760223312 DINILNQFPLUCPF-UHFFFAOYSA-N 410.522 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1760223679 ZGEHAHCVHGUWIX-RBUKOAKNSA-N 424.501 1.869 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCCCC1 1760244263 OXPUQTPIAOAOGP-NRFANRHFSA-N 406.527 1.711 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(CC)C(C)C)CC1 1760257568 ZPLCBRAQCCHWRD-QFIPXVFZSA-N 418.586 1.416 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)CCCS(C)(=O)=O 1760281865 YUQCHLVFZMBBIZ-HNNXBMFYSA-N 400.570 1.757 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1760381333 IQZCMSHRXRNZCQ-SFHVURJKSA-N 404.559 1.930 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1760449144 BWJWARHHOOITAF-CQSZACIVSA-N 400.439 1.327 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1760465195 ZAHCQRYCBZFEKK-MRXNPFEDSA-N 409.487 1.421 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1760505962 VATDDBOJJXLKFB-QGZVFWFLSA-N 422.555 1.213 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(N3CCNC3=O)CC2)nnc1C(C)(C)C 1760558422 OMQFHNDZDBTECO-UHFFFAOYSA-N 424.571 1.170 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC(=O)N1C 1763089440 LGONWKNGABDKEA-KRWDZBQOSA-N 405.506 1.746 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769591929 LUGLXTYJTOBSBW-ZMSDIMECSA-N 412.498 1.541 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1769777194 XTILYTUUHLVUEV-KDURUIRLSA-N 412.494 1.347 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)nn2)cc1 1849745046 LYSZKPRWCKJYPP-UHFFFAOYSA-N 403.446 1.564 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)c1ncn2c1CO[C@@H](c1ccc(Cl)cc1)C2 1850815004 ZUJARZOMMZYHIR-MRXNPFEDSA-N 407.879 1.586 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CC(F)C2)cc1 1852081443 FUKOFZRFEKTYBS-KRWDZBQOSA-N 423.416 1.906 30 10 HDEE COc1cccc(C#N)c1OCC(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1852228068 AQHILFXZWWYERA-OAHLLOKOSA-N 405.451 1.698 30 10 HDEE Cc1c(C#N)cncc1NC(=O)[C@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852474365 IITVEZHNKGYTKR-HOTGVXAUSA-N 413.478 1.916 30 10 HDEE Cc1c(C#N)cncc1NC(=O)[C@@H]1C[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852474366 IITVEZHNKGYTKR-HZPDHXFCSA-N 413.478 1.916 30 10 HDEE N#Cc1c(F)cccc1N(Cc1cccc(F)c1)C(=O)CN1CCNS1(=O)=O 1853071691 OMQXUWFVZJNTEU-UHFFFAOYSA-N 406.414 1.520 30 10 HDEE Cn1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C3(CCCC3)C2=O)nn1 1853618074 VACHYUWFRVEMLA-UHFFFAOYSA-N 408.462 1.363 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854262661 MGNHKBZEAGHBOG-MOPGFXCFSA-N 404.474 1.690 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccn(C)n1 1854487297 HTYYTRMVXHOHLR-UHFFFAOYSA-N 414.487 1.902 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)C12CCCC2 1854498250 LJNRNGUNJKRWTJ-MRXNPFEDSA-N 424.567 1.334 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(C(F)(F)F)CC3)CC2=O)CC1=O 1855855564 KEHLGZUDGRSVDK-KBPBESRZSA-N 401.429 1.670 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccon3)C2)CC1 1855887479 BRGZRHZOEZBBGS-INIZCTEOSA-N 408.462 1.071 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)nn2)n1 1855905726 FNFDXQOXYMRRDL-QGZVFWFLSA-N 407.478 1.503 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3ccncc23)CCN1CCOc1ccc(C#N)cc1 1855944759 UIIZDPOAHBJUTB-OAHLLOKOSA-N 404.430 1.353 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(c4ncccn4)CC3)CC2=O)cc1C#N 1856208381 ZKLOJUBYGNEDIA-KRWDZBQOSA-N 404.474 1.468 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CCC(n4nccn4)CC3)CC2=O)cc1 1856291901 BQWOXXQWIRJRGS-LJQANCHMSA-N 406.490 1.795 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1Cc1ccn(C)c(=O)c1 1856404281 CGBNAHDYKTZKEO-CQSZACIVSA-N 412.877 1.978 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN([C@H]3CCN(C)C3=O)c3ccccc32)CC1=O 1856420647 AUXRUKGMUXKCIG-YJBOKZPZSA-N 410.474 1.022 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)CCCn3ncccc3=O)C1)CC2 1857280823 DYBRZXMYVSXQAB-QZTJIDSGSA-N 411.506 1.414 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CC(F)(F)OC(F)(F)C3)CCC2=O)ccn1 1857322608 GTLXBNHNUFHMQV-NSHDSACASA-N 400.332 1.850 30 10 HDEE Cc1noc(C)c1CN1CC[C@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1857323131 UGGUOYGWEGAHKV-SFHVURJKSA-N 408.462 1.117 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3cncc(F)c3)C2)C1 1857469091 NOXFKZXYVABGII-AWEZNQCLSA-N 409.421 1.629 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487779 DTMJNVGRVYAVEL-AZUAARDMSA-N 414.554 1.724 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866789506 NKNONUGHWUJGIT-SFHVURJKSA-N 409.442 1.768 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccc1 1874433493 NQOXSKIMWIMGNG-LSHDLFTRSA-N 412.475 1.798 30 10 HDEE C#CCO[C@H]1CCN(C(=O)C2CN(c3nc4ccc(S(C)(=O)=O)cc4s3)C2)C1 1891046912 SZHVIEHSQQCLMG-AWEZNQCLSA-N 419.528 1.387 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](Oc3ccc(N(C)C)nn3)C2)cs1 1891358187 SEIZJAPNBJWFHF-GFCCVEGCSA-N 402.480 1.208 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 1939107499 GLOOLRHKXGOTKD-CVEARBPZSA-N 401.326 1.810 30 10 HDEE CN(C)[S@@](=O)(=NCC#CBr)N1CCN(C(=O)OC(C)(C)C)CC1 1982240953 FJUSTLVRKIIOQK-QHCPKHFHSA-N 409.350 1.755 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2010401535 FAFKKRGYMRZUJQ-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNS(=O)(=O)c2ccc(C#N)s2)C1 2118166780 GPXVHAQYEHBEBJ-LBPRGKRZSA-N 401.510 1.924 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162918730 SSGRFVODHDOXIH-GWQKEKGPSA-N 414.509 1.594 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)N1CCC[C@H](C#N)C1 2174786684 MBWZBCSEVYTLJY-BZUAXINKSA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)C[C@]1(NC(=O)OC(C)(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 2180138319 WDQBFIINRBNPGM-KBXCAEBGSA-N 416.565 1.426 30 10 HDEE C#CCOCCOCCN=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2189927898 JCLYMJITLRLJGJ-HHHXNRCGSA-N 403.545 1.608 30 10 HDEE C[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2243388414 ASZZFXUMBHSKON-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE C#CC1(N(C)C)CN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 2245493779 HDGADNUNENNYEM-LJQANCHMSA-N 414.550 1.788 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247779733 YUGQFQKVXUACTL-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247837230 PAULXMVIBZZTGJ-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2ccnc(NCCn3cc(Br)nn3)c2F)OC1(C)C 2266052629 SXTTYWHHZMDHLI-UHFFFAOYSA-N 412.072 1.986 30 10 HDEE CSC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269036743 FRHGWIZULRXAOR-VIFPVBQESA-N 407.344 1.142 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270526682 LBCDSCSYNDMOAF-QZTJIDSGSA-N 422.503 1.868 30 10 HDEE Cc1csc(C(=O)NCCS(=O)(=O)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282008583 KQFKPZUFKFCJFF-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CCc1nc(C(=O)N[C@@H](C)CC[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031748 XCNXKMUCSXYDNV-KPHLJTLVSA-N 400.375 1.892 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(N4CCC4)C3)cc2Cl)OC1(C)C 2282306407 MSTYOUUIQXPIFM-UHFFFAOYSA-N 418.777 1.779 30 10 HDEE Cn1cnnc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282309123 AGPMZYSLBAVUBY-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4C[C@@]4(O)C3)cc2Cl)OC1(C)C 2282312004 PRWHZONHPFPBEG-QLJPJBMISA-N 419.761 1.846 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)O 2282335192 MDTOGLYKICBYNF-PXAZEXFGSA-N 401.359 1.829 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282407278 WEJPPJZCNBOMLG-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC[C@@](C)(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282498220 AJTVKAKVFWFQSX-MRXNPFEDSA-N 402.347 1.121 30 10 HDEE C[C@H]1[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1(F)F 2282508995 DQZBJURPELUMMD-UWVGGRQHSA-N 408.301 1.763 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282631463 WRGYCVXYUPCURM-LBPRGKRZSA-N 401.315 1.139 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)S1 2282835913 CCVJAPOPNBHPGT-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H]3C(N)=O)s2)OC1(C)C 2282847741 DFJRHSDZJGMAMO-LLVKDONJSA-N 400.331 1.076 30 10 HDEE CC1(C)C[C@@H](CN)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850591 QVCHTSOSVDDVLV-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C1(C(=O)O)COC1 2284379003 UTFDQNALRPWFCO-UHFFFAOYSA-N 401.677 1.626 30 10 HDEE CCC[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406943 FIYOMWWSVQSWKY-LLVKDONJSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(C)CCC[C@H]2O)OC1(C)C 2286914846 WBKSZWWDVSIPQJ-PBHICJAKSA-N 401.359 1.877 30 10 HDEE Cc1csc(CNS(=O)(=O)CC2(C)COC2)c1B1OC(C)(C)C(C)(C)O1 2287105465 COACKJQPTCBCHP-UHFFFAOYSA-N 401.359 1.812 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccncc2)cc1OC 2326736277 KWEFWYBMZPIACA-UHFFFAOYSA-N 412.475 1.741 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@H](O)c1cc(I)nn1C 2361370692 MQUPKUREXJUNRM-MFKMUULPSA-N 405.305 1.935 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NC[C@H]2CCCCS2(=O)=O)OC1(C)C 2362494275 NVYOPCYLYBSRPP-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CCc1csc(C#CC(=O)[C@H](O)c2nn(C)cc2I)n1 2363917598 HSXUIDIJMCZNAB-ZDUSSCGKSA-N 401.229 1.698 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@]2(O)C#CC(C)(C)S(C)(=O)=O 2365179273 NSVFEMUNDXCIDS-CSVIQDERSA-N 401.525 1.494 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367789253 RETXDJHBIQVVKQ-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2367827562 ITMOGURGYFNRJL-LSDHHAIUSA-N 402.557 1.552 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccncc1 21324540 LUFAUSRVNPCFMH-FSJBWODESA-N 414.470 1.771 30 10 HDEE C[C@]12C[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34C=O)C[C@]1(O)C[C@H](C1=CC(=O)OC1)C2 40180579 IQNBKMSBJXGCDH-QNKJVBASSA-N 404.503 1.898 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 48567826 CZMYQWBDQVXHBN-ZDUSSCGKSA-N 403.241 1.554 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70896831 ZVMGESMEFIZSAM-UHFFFAOYSA-N 407.474 1.611 30 10 HDEE COc1ccc(C(=O)/C=C2/N=c3cc([N+](=O)[O-])c([N+](=O)[O-])cc3=NC2=O)c(OC)c1 211037640 NETOPLYKCAICEY-MDWZMJQESA-N 412.314 1.066 30 10 HDEE N#Cc1ccc([C@@H]2N[C@](Cc3c[nH]c4ccccc34)(C(=O)O)[C@@H]3C(=O)NC(=O)[C@@H]23)cc1 247641554 HTMFHNUQRMCWPF-XQQXVUDOSA-N 414.421 1.639 30 10 HDEE COc1ccccc1N1C(=NC(=O)CCCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 254486143 NGLWBPGZSCMPHT-GXTWGEPZSA-N 412.489 1.552 30 10 HDEE CSc1nc(O)c2[n+](n1)[C@]1(Nc3ccccc3-2)C(=O)Nc2ccc([N+](=O)[O-])cc21 261363459 SGUIKJVBYXXCDJ-SFHVURJKSA-O 409.407 1.846 30 10 HDEE N#CCNC(=O)C(=O)Nc1cc(I)ccc1Br 383126160 HNWCEGNBUQWCPX-UHFFFAOYSA-N 407.993 1.632 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2cc(F)ccc2F)C(F)F)CC1 433611484 CGMOSPIMFNVVMI-INIZCTEOSA-N 402.392 1.900 30 10 HDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1ccccc1Cn1ccnc1 442950895 MMACVYIVEIDZED-UHFFFAOYSA-N 403.508 1.168 30 10 HDEE CSC[C@@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 460283941 WACXYXSTHNBCEI-KSZLIROESA-N 415.515 1.960 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCCCc3nnc4ccccn34)CC2)c1C#N 460497212 MGIYQAHCRBZMKJ-UHFFFAOYSA-N 410.507 1.830 30 10 HDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)ccc1C#N 460611006 ZMRORYBKMKBQCH-UHFFFAOYSA-N 401.444 1.192 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cn1 462087972 LETWMNUJGCRFBD-MRXNPFEDSA-N 409.450 1.242 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)NC(C)=O)cc1 465188403 UCUNLESXEIHMIN-BEFAXECRSA-N 422.489 1.661 30 10 HDEE CCn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 467421017 UWJLOGDWGDZUFZ-UHFFFAOYSA-N 413.459 1.392 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 469297084 YYFQAJZLCCYWNY-IEBWSBKVSA-N 405.520 1.988 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(CC(F)(F)F)c3ccccc32)C1=O 471439923 JXCVZGNSHJKQTP-UHFFFAOYSA-N 410.352 1.379 30 10 HDEE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 473560023 CETRLUKGIDMEQL-HNNXBMFYSA-N 403.870 1.379 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCC1CCC(C#N)CC1)c1ccc(S(C)(=O)=O)cc1 508369732 SGHRJXQBFXSTPQ-ALLBUHFWSA-N 405.520 1.888 30 10 HDEE Cc1nnc(COCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)s1 509085537 RFNRLGLPDGFMSW-AWEZNQCLSA-N 403.489 1.775 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCSC[C@H]3CCO)C2=O)cc1 511365144 VVDPQWQIKZNRID-HZPDHXFCSA-N 402.476 1.090 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1 512902405 OEDZYBPJVFUMLY-LJQANCHMSA-N 404.474 1.980 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)N3CCOCC3)c2C#N)C1 526841072 FQQJFZGZXZFPHE-BIXPNRAVSA-N 409.533 1.291 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)n1 544863034 KZPUIYIWRXOPRA-JTDSTZFVSA-N 414.535 1.328 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])c1 546182433 DWCVASWYUGYKMK-UHFFFAOYSA-N 416.463 1.438 30 10 HDEE CCOC(=O)c1cnn(C2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)CC2)c1C 553051781 CGXRTWAAYIUCBR-UHFFFAOYSA-N 423.473 1.833 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1 556494157 SIOIHWFUXQNKBX-UHFFFAOYSA-N 416.434 1.556 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1cc(OC)ccc1OC 564378255 JXLOPGTVWNFJCJ-SFHVURJKSA-N 404.467 1.568 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(Cl)c2)c(=O)n1C[C@H]1CCCO1 573400580 MOYPWROTMQJPJU-CQSZACIVSA-N 417.918 1.300 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CC1 605405695 CTQUXJJTYCEMOM-UHFFFAOYSA-N 419.913 1.919 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)C[C@@H](C)O1 608890091 ZYUNGKVZIFGISL-IYBDPMFKSA-N 407.474 1.613 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H](O)C2CCOCC2)nn(-c2ccc(F)cc2)c1N 609847368 GHBURUGDAPGPHC-SFHVURJKSA-N 401.442 1.302 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1 642332357 DUFQBCHYMTXJRG-UHFFFAOYSA-N 411.527 1.866 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](O)C1 702783931 JFNAMBFEPDMUJR-OCCSQVGLSA-N 415.899 1.718 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1ccc(F)c(Cl)c1 732153482 HXBPYCMZQSRHOO-FBMGVBCBSA-N 418.816 1.624 30 10 HDEE COc1cccc(N2CC[C@H](CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)c1 732458858 MLOYSGLMFGGLAW-MVZUJROASA-N 413.478 1.347 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 741664072 CCYVXGDNFKYJOA-HXUWFJFHSA-N 412.534 1.609 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1 743890806 ZSFBZNYTCNNRNP-UHFFFAOYSA-N 401.438 1.637 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CCCC2)C1=O 746698199 WYDKIYSSZGAHSC-OAHLLOKOSA-N 406.483 1.952 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CCN1C1CC1 748951490 PZXCJMJBPWRYDR-KRWDZBQOSA-N 413.478 1.128 30 10 HDEE CC(=O)Nc1ccc(C(C)=NOCC(=O)NC[C@H]2CN(CC(C)C)CCO2)cc1 749787351 LIMPJQQMOJOQEY-FQEVSTJZSA-N 404.511 1.859 30 10 HDEE Cn1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c2ccccc2c1=O 754391156 YTLDUTXLYYWGEG-AWEZNQCLSA-N 411.462 1.447 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)c1 755529832 TZHYUUIDQJLRNG-HNNXBMFYSA-N 419.453 1.885 30 10 HDEE Cn1cc(C(N)=O)cc1C(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 756216596 CUVMZSQQFFOZPB-UHFFFAOYSA-N 400.338 1.133 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(OC)c3c(c2)OCCO3)c1=O 758090302 PHYZZTJZXRWRNT-UHFFFAOYSA-N 424.478 1.051 30 10 HDEE C#CCN(C(=O)c1cc(NC(C)=O)cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 760428255 BNICZCBPDUURAE-HNNXBMFYSA-N 402.394 1.926 30 10 HDEE C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553142 WHGACARWUARUTH-INIZCTEOSA-N 418.457 1.585 30 10 HDEE C#CCCc1noc(CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)n1 762016614 REGNYVCBPHQJLO-UHFFFAOYSA-N 412.265 1.951 30 10 HDEE COc1cc(N2CCN(CC(=O)[C@H](C#N)c3nc(O)c4ccccc4n3)CC2)ncn1 763940614 LBDODKNQJJJLIC-HNNXBMFYSA-N 419.445 1.132 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)ccc1Br 769849481 LDUBBJWBJRBRRQ-AWEZNQCLSA-N 403.254 1.539 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2cccc(OC)c2)no1)[C@H]1CCS(=O)(=O)C1 774239213 BUWCKBGQYWXCAT-ZFWWWQNUSA-N 418.475 1.638 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)CCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 774250424 MBSVKOAGKHIYRQ-OALUTQOASA-N 417.531 1.052 30 10 HDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)CC1 782696136 AYZGAKTYFRRVAF-UHFFFAOYSA-N 411.437 1.353 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 783057796 QKCIKQCJDNQHGN-OAHLLOKOSA-N 416.521 1.362 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(OC(F)(F)F)cc1O 785664352 NICGPSSRSSNNAD-UHFFFAOYSA-N 415.349 1.968 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)n1 788332840 VZYDNKJBAQPXBE-HXUWFJFHSA-N 409.490 1.363 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(N3CCOCC3)sc2=S)n1 788366100 LLRRWCTYESRASR-UHFFFAOYSA-N 408.553 1.446 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2CN2CCCC2=O)n1 788863251 ZKUUTNXQGMFVFE-UHFFFAOYSA-N 423.517 1.997 30 10 HDEE C=CC[C@]1(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790811291 RBASFVZCOFRKPY-DNVCBOLYSA-N 415.556 1.730 30 10 HDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794579175 SBVKVYYYZCUOLQ-HNNXBMFYSA-N 420.494 1.242 30 10 HDEE CSC[C@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1 799599696 DERDNLYMDHVWDB-AWEZNQCLSA-N 423.560 1.742 30 10 HDEE N#Cc1c(NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cccc1S(N)(=O)=O 804819684 FLHHCUNWCZMDME-UHFFFAOYSA-N 407.883 1.904 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC(=S)NC[C@H]2CCCO2)cc1Br 807949498 ZMBYDZNKRHKPOC-SNVBAGLBSA-N 421.342 1.074 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](COC)C1 809926746 RIEQKQFQXKONBB-CVEARBPZSA-N 423.514 1.624 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 811061034 LKDVBUMZTAPGKL-KRWDZBQOSA-N 403.458 1.807 30 10 HDEE C#CCN(C(=O)c1cn2c(Br)cnc2s1)[C@@H]1CCS(=O)(=O)C1 815089965 GZGUPCJPCMHFFP-SECBINFHSA-N 402.295 1.421 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856532500 LNXVTDQLRRWUPJ-JKSUJKDBSA-N 400.460 1.106 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N(C)Cc1c(F)cccc1Cl 917925735 LPUGWEAGEZKTEK-GFCCVEGCSA-N 408.904 1.278 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)cnc21 1128268140 PGSYRDYEEKPUSJ-UHFFFAOYSA-N 406.446 1.857 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1135599509 LIRJUBXMVUJBEL-KRWDZBQOSA-N 406.527 1.060 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCCN2Cc2cccc(F)c2)CC1 1144028581 USTUZEFXJQJTFD-OAQYLSRUSA-N 414.525 1.464 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)[C@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1148719864 IDSYYZDPMXQMCZ-CRAIPNDOSA-N 401.488 1.691 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N(CCC(F)(F)F)C[C@H](O)CO 1151299922 IUVRXHBUMXWTOZ-ZDUSSCGKSA-N 409.202 1.997 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1159038625 PEEKRDOCVVXWBX-UONOGXRCSA-N 424.523 1.910 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 1167413303 DAVYZNBABGOOOY-CYBMUJFWSA-N 401.282 1.255 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)ccc1F 1167691346 QBIXOUICYBGCNU-HNNXBMFYSA-N 424.498 1.310 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 1171117218 MFBIIKGIHKTAMO-QZTJIDSGSA-N 404.419 1.387 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CC(N)=O)C2)n(-c2ccc(F)cc2)c1C 1175079495 LEJJEPJABYKPER-QGZVFWFLSA-N 413.453 1.620 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccc(C(C)(C)C)cc2)CC1 1175514820 JFJNHHGGDQIZRE-UHFFFAOYSA-N 413.490 1.688 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Br)C1 1176294104 FQZRGGOQLCRQAF-UHFFFAOYSA-N 419.272 1.171 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CC(N)=O)n(Cc2ccccc2)c1C 1195232580 FNNIWIAYZXDWKQ-GOSISDBHSA-N 409.490 1.540 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@@H]3CCCS3(=O)=O)C2=O)cc1 1226112850 SJMQRQBNPBUKQZ-IRXDYDNUSA-N 404.492 1.320 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@]2(CCOC2)O1 1286268902 BQUURMAVWXVUJI-LUQKVYGDSA-N 403.527 1.993 30 10 HDEE C#CCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286356665 MNEJPQIFMVHOHC-LJQANCHMSA-N 411.506 1.839 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1 1286397713 PJMRUQWEVFIDQI-OAHLLOKOSA-N 401.492 1.018 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1286399416 GOEODOGDWJVYPM-QGZVFWFLSA-N 414.535 1.098 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)C 1286416260 PIJICZXRLUXDBS-UHFFFAOYSA-N 412.519 1.257 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1286448134 QGHOFCSZQFGYST-QGZVFWFLSA-N 401.536 1.754 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286494394 NJTYSLWLNUULHU-QGZVFWFLSA-N 412.538 1.111 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(CC)CC)CC1 1286645955 JWUYIELODHYOBM-KRWDZBQOSA-N 423.583 1.985 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1286792673 FDJYUBNWIBXZOS-XOBRGWDASA-N 420.514 1.220 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)ccc1F 1289639508 RJZCXGXIEAPFIH-UHFFFAOYSA-N 420.388 1.972 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(Br)[nH]1)[C@H]1CCS(=O)(=O)C1 1291929774 UNKURADSNHEZOH-QMMMGPOBSA-N 424.114 1.802 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1294109126 CPQRPXKMXUIJRA-QFIPXVFZSA-N 410.562 1.571 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(c3ccccc3)C2=O)s1 1296279971 JXADPAMEEFWKOQ-OAHLLOKOSA-N 405.501 1.287 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H]2CCCOCC2)CC1 1299463812 CEMBFPRWILNHAR-MLYQTUFZSA-N 400.519 1.679 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1300336300 CLJHYVNSDUEJEX-MRXNPFEDSA-N 404.515 1.935 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccs1)N1CCOCC1 1300428458 GHHCGOJMUJPBLU-INIZCTEOSA-N 416.551 1.621 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300488626 FRRPJXRIVGIIRB-DLBZAZTESA-N 420.510 1.865 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2CCN(C3CCOCC3)CC2)c1 1300625430 MKAFOGWKNADFTQ-UHFFFAOYSA-N 423.510 1.744 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1300756923 WKQPYMHFHRBUCC-INIZCTEOSA-N 407.540 1.227 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301560934 PBKPKUDJVYEMNB-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H]1c1nncn1C 1301569256 UKIADUBWKHJORY-LSDHHAIUSA-N 407.544 1.862 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301596823 ZQENLXRHAYFABT-QZTJIDSGSA-N 423.583 1.795 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1305244757 KACJOGHVHWXTDU-URKNILKWSA-N 414.422 1.122 30 10 HDEE CCCN(C)C[C@H]1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306788461 PUBASLHJFTWJDZ-DVSFIDLUSA-N 415.542 1.535 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1310211761 KISVADQYWKCOTJ-AEFFLSMTSA-N 402.495 1.938 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)C1CCOCC1 1313043922 XABCXXHKQKMADM-GGPKGHCWSA-N 404.555 1.247 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1 1320152127 AYUMEBJXWNESHV-OAHLLOKOSA-N 401.463 1.997 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1350250373 NQDIRSQVHBSCQM-OAHLLOKOSA-N 410.492 1.472 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3(OC)CS(=O)(=O)C3)c2)c1 1352298164 HXZQZVAFVBEFFI-UHFFFAOYSA-N 413.451 1.625 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1358875174 KIUOFJWSQANZKS-LLVKDONJSA-N 414.329 1.549 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1358890660 SSIANESGYSLNSJ-BZSNNMDCSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1358905155 TYVGBHKYHRKANO-IRXDYDNUSA-N 411.572 1.945 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1358913263 JOJZCFOAKPWANE-ROUUACIJSA-N 424.567 1.616 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1358946275 OVTLDZGHELOHAX-QRQCRPRQSA-N 422.489 1.284 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)(C)C 1358974653 MMYZDVRTZMWJIX-UHFFFAOYSA-N 407.474 1.909 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCc1cccc(C(N)=O)c1 1358993601 RTDBKZQIAQOBJI-HXUWFJFHSA-N 405.502 1.977 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@](C)=O)CCC2)CC1 1359034915 GKPULBPDSRZJHH-UULLZXFKSA-N 405.568 1.576 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1359089485 JYSOTBWTCZDLHB-YJBOKZPZSA-N 418.542 1.504 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1359160264 PYYIUKDUDSEBIC-IBGZPJMESA-N 410.540 1.664 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1359238215 CKQIFHNIPZPBJQ-NYHFZMIOSA-N 424.505 1.837 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359302494 JHRRFIHTFLPCHF-SFHVURJKSA-N 420.521 1.813 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1360338330 BOLVBRLCGYVRPS-XUVXKRRUSA-N 420.489 1.239 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)cc2C1=O 1439763980 JAPPBNZETABPLQ-QGZVFWFLSA-N 402.472 1.508 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)ccc1F 1452413261 LBSZFYNJJPHXAK-UHFFFAOYSA-N 404.427 1.666 30 10 HDEE CCOC(=O)CON=C(C(=O)N(OC)[C@H](C)c1ccccc1OC)c1cc[nH]n1 1453050428 LKAYCPORKVZFKM-CYBMUJFWSA-N 404.423 1.853 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C 1453791968 XONUSLZIMPGDOC-VLIAUNLRSA-N 421.519 1.948 30 10 HDEE CCOC(=O)c1[nH]cnc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1456397128 AFLXTLHIYOTNAK-GFCCVEGCSA-N 415.837 1.781 30 10 HDEE CCn1cc(Br)c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n1 1457948928 HWAYAQUMBFCJCF-NSHDSACASA-N 404.272 1.678 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1458055757 GWTOFMWAIVMHRF-OAHLLOKOSA-N 422.425 1.946 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1459461412 COOQGTLTZTUCQX-INIZCTEOSA-N 419.275 1.519 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H](C)NC(=O)OC(C)(C)C 1464927577 UMVGGPMRSDLHQT-BVNATZKVSA-N 408.499 1.814 30 10 HDEE N#Cc1cc(NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)ccc1N1CCC(O)CC1 1466018324 XHGLRMHCNGVTQR-HSZRJFAPSA-N 404.470 1.916 30 10 HDEE CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)O1 1466486210 KDCXOGSKHBYZSF-IAGOWNOFSA-N 407.511 1.389 30 10 HDEE C=CC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)C(=O)OCC 1466783559 QQIZRKMOKHFHBR-RKQHYHRCSA-N 416.396 1.596 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1CC(NS(C)(=O)=O)C1 1467375048 CDZOTMVGBYGDCM-RUXDESIVSA-N 402.517 1.160 30 10 HDEE C=C(C)Cn1c(SCC(=O)NC[C@H]2CCN(C(N)=O)C2)nnc1-c1ccco1 1467853895 GNRRVFVDAJVSDI-CYBMUJFWSA-N 404.496 1.723 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)C[C@@H](O)C(F)(F)F)cc1 1469650259 STFLOEOJKGOSQM-CQSZACIVSA-N 410.414 1.163 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)cn1 1470615185 KOPMDJBRIZRYDU-UHFFFAOYSA-N 413.503 1.920 30 10 HDEE N#Cc1ccc(CSCC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472221175 QCAHZTAMGPYIFQ-WUJZJPHMSA-N 421.544 1.119 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1475307738 PPQVNIUGNFRKCN-KGLIPLIRSA-N 404.510 1.469 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C2CC2)nn1[C@@H]1CCS(=O)(=O)C1)C1CCOCC1 1476248684 OHCGYWCYFHWAQO-HZPDHXFCSA-N 406.508 1.670 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3sccc3Br)C[C@H]1CS(=O)(=O)C2 1479185857 VLPVKHXGOGKVCW-HZMBPMFUSA-N 418.338 1.633 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1499184503 LUGPJNYQTYIUIB-IBGZPJMESA-N 421.549 1.949 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1504602028 ZQWDYEVLXHDCHF-KBXCAEBGSA-N 400.458 1.858 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1505046441 GTFSUDHMEUSMKF-LJQANCHMSA-N 422.493 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1507515804 IODBMJIEEWBBQL-SGMGOOAPSA-N 410.569 1.915 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1507516436 LBHXYCUHYIDWAH-QWHCGFSZSA-N 411.478 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CC 1507523607 NNELLVGOQZPFEO-VQIMIIECSA-N 405.510 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507542525 QVEIAQPQOJNSEX-MRXNPFEDSA-N 422.533 1.732 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@]1(O)CCc2ccccc21 1507642482 KAVKTXQIJSCQDF-JPYJTQIMSA-N 408.502 1.909 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@H](C)COC)CC1 1507717927 JFDLZLGENXVVAA-KRWDZBQOSA-N 413.522 2.000 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCN2CCC(O)CC2)CC1 1507722637 COKVVWILBDIBTA-UHFFFAOYSA-N 408.550 1.547 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCCC2)CC1 1507739373 ASDBEXNLPLHDQX-UHFFFAOYSA-N 412.538 1.557 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1Cc1ccc(C(N)=O)nc1 1507773405 FCOZNIQDHNKDMG-JOCHJYFZSA-N 401.474 1.798 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)NC(C)C 1507806873 KNEPDGRWCYDHGI-UHFFFAOYSA-N 412.560 1.244 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1507843736 SIKGEUHEQOXRBI-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1508021805 UJPVFMJTMOHEKM-INIZCTEOSA-N 411.597 1.407 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1508089569 YLFAVPQQVPOFQI-FQEVSTJZSA-N 411.466 1.438 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508153550 NCVVRHRDLFEDKJ-INIZCTEOSA-N 402.524 1.601 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1508164195 ZPHNVJPSQVVEKM-YJBOKZPZSA-N 412.581 1.716 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCCN1CCOCC1 1515232204 FPWMQSKKCGOOKC-SCLBCKFNSA-N 408.449 1.429 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1(C)C 1518604481 KWHAGAVQRBHNNS-MRXNPFEDSA-N 418.523 1.227 30 10 HDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@H](C)O1 1518947542 XCEYPZHCTKBZHY-YJBOKZPZSA-N 413.478 1.494 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C[C@H]1OC 1519502850 XUXLIOMJQVRNKJ-GBESFXJTSA-N 413.478 1.472 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)c1 1519566959 JANNKTXFSNNEBB-LBPRGKRZSA-N 416.528 1.412 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C#N)c(Cl)n2)C1 1520225970 VOGVCDYZUYZSCU-ZDUSSCGKSA-N 400.888 1.119 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)C1 1521069867 UYZRWKQVUXPFJB-OXQOHEQNSA-N 420.489 1.286 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@]3(C#N)CCSC3)nn2)C1 1534756460 OUZPJCKQKPMWHY-ACJLOTCBSA-N 406.512 1.979 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F)CC2)o1 1538632016 AQTZVUPSIRGTAS-INIZCTEOSA-N 401.389 1.597 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCCN1CCOCC1 1538975844 FBPDRFODQKKJCP-GHTZIAJQSA-N 405.543 1.501 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1539185835 LKYZVDNROLGKNE-UHFFFAOYSA-N 409.515 1.980 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1539219804 MUCZDTXMBSUGTB-YESZJQIVSA-N 424.567 1.033 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1539265777 KKVGROPFZCOUMF-IBGZPJMESA-N 412.515 1.448 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(OC)CCOC1 1539405611 FRYIOBUSFXVVCL-OAQYLSRUSA-N 414.462 1.565 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1 1539415210 BGEQXSDFBFRHKV-KRWDZBQOSA-N 424.567 1.616 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1539638277 YUKQMIFFDCZKCI-ZWOKBUDYSA-N 410.522 1.912 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(c2nc(C)no2)CC1 1540873039 KPFTYESSGHVYDS-UHFFFAOYSA-N 422.493 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)C1 1540895461 SIJGJAPZEKQJNP-SFHVURJKSA-N 400.527 1.444 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCSC2)C1 1540895702 XTEUHMHCOZOXQO-XLIONFOSSA-N 418.567 1.789 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1541637855 BIMKQFITSNGMAO-UHFFFAOYSA-N 423.521 1.983 30 10 HDEE N#CCc1ccccc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1544084786 HVSJINSDJUTVRQ-UHFFFAOYSA-N 405.414 1.885 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCSCCCO 1546532960 XAYQDGVCBBUYKS-OAHLLOKOSA-N 416.555 1.333 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 1557066295 NTRDFDCOQVOFAP-MRXNPFEDSA-N 406.464 1.948 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1557713470 XEZHNIOXSPETQK-CABCVRRESA-N 424.295 1.960 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(OC)(c3nccn3C)CC2)c1 1558187775 NNQFUXVMAAHQIR-UHFFFAOYSA-N 415.515 1.995 30 10 HDEE Cc1c(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cnn1CCC#N 1558694479 RNXVYBMUASBCRP-CQSZACIVSA-N 416.482 1.055 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)c1 1558702409 RFEOIKMZLOKQEG-HNNXBMFYSA-N 418.475 1.632 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)CCOC1 1560012730 XCMCNSRDOFCPPD-JLTOFOAXSA-N 404.467 1.045 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)CC1 1565814694 DZAKCEFQMQEVPG-UHFFFAOYSA-N 403.548 1.997 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cccnc1)C(C)(C)CO 1570774323 CNHNXHQMIJJPOR-RDTXWAMCSA-N 416.503 1.496 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1cc(C)ccc1C)C(=O)OCC 1587285658 HSCCPQPMJASOHQ-CQSZACIVSA-N 402.900 1.772 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1587620834 LHSIOCUOPDSWFB-INIZCTEOSA-N 416.489 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587652041 TWIDKNIEPDFDPI-AZUAARDMSA-N 423.565 1.665 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)N(C)CC)[C@H]1CCS(=O)(=O)C1 1588045784 QNKSZEUBXWQEDT-KRWDZBQOSA-N 415.519 1.050 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CC 1588612516 HJNCNCFBRMIZQS-HXUWFJFHSA-N 410.482 1.168 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)Cc2ccccc2)CC1 1588812146 PPOVWWJUHRXBQP-NRFANRHFSA-N 408.550 1.669 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CC1 1589216366 NEXAXGJMKZRMQQ-DNVCBOLYSA-N 407.540 1.403 30 10 HDEE C=C(Cl)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1593932315 GYIWMVALXUOPAR-KRWDZBQOSA-N 420.963 1.942 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)COc2cccc(F)c2)c1 1595313245 GZVSVPZEKGKTNO-CYBMUJFWSA-N 410.398 1.432 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1595601990 CKXLXHREFUFUKS-NVAPDCRFSA-N 418.542 1.201 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1596814589 XNKUUQSGPBFFFA-CHWSQXEVSA-N 420.495 1.036 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238739 SVAKAJPYCXWMQZ-QVKFZJNVSA-N 401.463 1.908 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)C1 1615973959 XXWBFRJVUMAYBI-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE COc1ccc(CCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1616337357 XZKJEVDWEGSGSL-OXJNMPFZSA-N 406.504 1.813 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1618499148 CSYACPRVSVTVDA-UHFFFAOYSA-N 424.509 1.828 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccncc2NC(=O)C(F)(F)F)n1 1618760182 YZZRTSLLQYAVKY-UHFFFAOYSA-N 409.368 1.701 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c(OC)n1 1619268355 DKTXVNYYFXTSNS-UHFFFAOYSA-N 413.482 1.617 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1620083846 JTOMMZQTQCIERW-WZXDIDHRSA-N 416.482 1.127 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1624576957 HIJZNGZKGNJIBN-IBGZPJMESA-N 422.526 1.596 30 10 HDEE CC[C@@H](COCC(F)(F)F)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624850549 NEQXKUNSHDXUAY-LBPRGKRZSA-N 421.441 1.979 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N(CCC#N)CCC#N)CS(=O)(=O)[C@@H]2C1 1625385354 SUKHZBQYROUZCY-BZUAXINKSA-N 424.523 1.313 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1627791192 YZRUPXVRCQWCDM-HNNXBMFYSA-N 404.517 1.927 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 1628350717 JRBIDVMLDKAYHH-SFHVURJKSA-N 409.577 1.254 30 10 HDEE N#CC[C@H](C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1)c1ccccc1 1629758209 XLYCNOAMGVHJJT-NRFANRHFSA-N 412.534 1.761 30 10 HDEE COC(=O)c1cc(Br)cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1C 1630262332 GODFIVOURDZGKH-UHFFFAOYSA-N 421.207 1.317 30 10 HDEE CC(C)(C)OC(=O)C1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCC1 1630421480 BUJQTVZXQIYOMN-UHFFFAOYSA-N 407.492 1.465 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1631573653 WDIJNSYGBZICDK-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cc3n(n2)CCC[C@@H]3NC(=O)OC(C)(C)C)CC1 1632611109 PXVPAGIUSYVYOB-AWEZNQCLSA-N 402.499 1.960 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCN(CC(F)(F)F)C1=O 1633341843 ZVCVFGQPSPTSPI-CYBMUJFWSA-N 421.372 1.358 30 10 HDEE C#CCN(C(=O)Cn1nc(C)oc1=O)[C@@H]1CCOc2ccc(Br)cc21 1633715146 YCTRDNFBYDSQKV-CQSZACIVSA-N 406.236 1.893 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1634986121 BFPPHABGOWVPTO-HKUYNNGSSA-N 407.486 1.470 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncc(Br)s1 1637913808 OFFGIIFZRBRDFR-SNVBAGLBSA-N 422.312 1.988 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(F)cc(I)c1N)C(=O)OC 1639558347 HPZOCXBBXKXRDK-NSHDSACASA-N 422.194 1.487 30 10 HDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1639873815 GVHMTDLRZLCWPA-RBUKOAKNSA-N 424.538 1.509 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1Br 1640182932 GXBRMTOFCBBSBF-CYBMUJFWSA-N 406.240 1.986 30 10 HDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3ccccc3N)CCOCC2)c1 1641662367 PZJZRELARSXUEF-UHFFFAOYSA-N 414.487 1.241 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C3(O)COC3)cc2)s1 1642073614 XQWFMWQMAULUTM-UHFFFAOYSA-N 408.501 1.611 30 10 HDEE CC(C)OCCOC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1642551103 RDQABFYNBUGNRU-INIZCTEOSA-N 423.535 1.658 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(c3nc(C)cc(C)n3)C2)s1 1643504516 LOEIZBRQGCEIJL-UHFFFAOYSA-N 406.533 1.788 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)C(=O)OCC 1643589439 KYEDQJXIPXHTPB-LBPRGKRZSA-N 415.878 1.607 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cn(-c3cccc(OC)c3)nn2)c1 1643746239 NDIYMECKTBLWQG-UHFFFAOYSA-N 413.459 1.993 30 10 HDEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1643794168 VVTQCAUBJUXHGO-CYBMUJFWSA-N 419.482 1.362 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](NC(=O)NC)C3)ccc2c1=O 1644555419 KPLPGNZHIMFQHO-ZDUSSCGKSA-N 401.492 1.405 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1C[C@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1648008283 KYRPHYGNTDJRTC-OAGGEKHMSA-N 421.519 1.158 30 10 HDEE COC(=O)c1ccc(NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c(C#N)n1 1651163311 AFQDXOWDEVAFKA-UHFFFAOYSA-N 414.487 1.582 30 10 HDEE Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1651245265 IFWWABZQWDVZFH-SFHVURJKSA-N 405.462 1.728 30 10 HDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)CC2(C#N)CC2)cc1Br 1655361229 BIROYBPAPFDTRK-CYBMUJFWSA-N 417.325 1.832 30 10 HDEE C[C@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1655802442 OPZQNNVXPFCSGN-FUHWJXTLSA-N 414.449 1.540 30 10 HDEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1657143992 WWRYUJQOQYEMAM-LJQANCHMSA-N 409.467 1.918 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1658716879 YJDMKUXOSVOFAU-WBVHZDCISA-N 411.462 1.778 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)CC1 1658950982 OFBFEVWCCKKPCU-UHFFFAOYSA-N 422.898 1.143 30 10 HDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 1661535487 HOQOSGDXOIXCAF-LJQANCHMSA-N 421.457 1.721 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)oc1Br)C1CCOCC1 1664580435 YUZQFMHPLLDBAO-SNVBAGLBSA-N 406.254 1.535 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)OC(C)(C)C)C3)CC2)c1C#N 1674182249 NZRBVBLMRICNIC-CVEARBPZSA-N 416.526 1.942 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1674888253 SIKPVOMYHUPYIQ-DLBZAZTESA-N 424.542 1.477 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@]2(CO)CCc3ccccc32)C1 1681435724 YYIVXEIQIMYYKZ-SGXKBVARSA-N 414.506 1.921 30 10 HDEE N#Cc1ccc(CNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)nc1 1681739891 UHQCKPFHCDYSIJ-LZYBPNLTSA-N 408.443 1.884 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC[C@@H]3[C@H](C#N)c3ccccc3)nnc2c1=O 1685240858 QLDKNJFKSVAJAR-IAGOWNOFSA-N 405.462 1.452 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1685877228 IERYCAWRLJKDOA-TZQYPOLLSA-N 400.479 1.152 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1689847799 IJQIATGBUNQREB-CQSZACIVSA-N 407.478 1.176 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1689950798 BKENDGPMGQUUEA-UHFFFAOYSA-N 403.508 1.190 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nc(C)cs1 1690008555 JTUYFOGSXPXEOD-UHFFFAOYSA-N 415.486 1.807 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1690086088 QQRDOAJXFHBAFI-UHFFFAOYSA-N 410.457 1.901 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCOC[C@H]2C)CC1 1690362467 DILOJSYNAMELHU-QGZVFWFLSA-N 411.510 1.803 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690462344 DUVSQYYUFNPMDC-MRXNPFEDSA-N 409.556 1.989 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690671039 NWPIBVFFLSDLGV-SJORKVTESA-N 418.542 1.215 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1692662238 HAIBMERCWHHFAH-IRXDYDNUSA-N 408.572 1.795 30 10 HDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1692721286 CVOXTRXHCSSWNY-MJGOQNOKSA-N 424.553 1.715 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695042055 XOAZAVVVHYYGKE-OAQYLSRUSA-N 420.477 1.821 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695913774 HGGGPUCCZXWPNF-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1O 1697450309 FOLMBELWQWNHAN-ZFWWWQNUSA-N 419.507 1.539 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1698079659 RUJKBBXBFXWBPI-CBGDNZLLSA-N 416.526 1.755 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(C)(=O)=O 1698247624 CMTZMLJNFXMAEI-MPGHIAIKSA-N 411.528 1.177 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1705533254 WNKOMKVYPGPOGK-KRWDZBQOSA-N 414.535 1.315 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](C)N1CCOCC1 1705540629 HTKHFTFKTBMJPG-GOSISDBHSA-N 410.522 1.937 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1705566549 PBFFNMXKIPXAKT-ZDUSSCGKSA-N 417.520 1.108 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1705580334 IMVBYXVRVNAEHY-UHFFFAOYSA-N 416.485 1.570 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1705605419 KOCCOYYWEWDWJC-UEXGIBASSA-N 406.527 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Cl)cc2)CC1 1705638490 MJZWHOZPYNHTAL-GOSISDBHSA-N 412.925 1.881 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705663034 UGMBICHYYLSAJL-ROUUACIJSA-N 410.547 1.878 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705825572 XDZYNZZDVDKVRO-JXFKEZNVSA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)CC[C@H]1C 1705901387 JZDWPFGQRPLNRP-UONOGXRCSA-N 400.483 1.933 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)O[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1706594062 RZQNLMZPDIVQJM-XOBRGWDASA-N 414.466 1.313 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708073048 JWYSGHFCMJVHFW-STGLLQLASA-N 410.482 1.441 30 10 HDEE CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1710903197 HWHHMNUBYWTXAN-IBGZPJMESA-N 420.514 1.445 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722331716 QJWQSBZPPTVPEO-UHFFFAOYSA-N 418.505 1.518 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1722347103 ZFIICTCLDGYMLJ-OAQYLSRUSA-N 416.478 1.846 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722361642 INJJFNSMFMOVAI-CBZJRKILSA-N 420.560 1.340 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367946 NRBXGTJCDCJOTJ-IRXDYDNUSA-N 417.535 1.678 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCOC1=O 1722374702 BZZMVVRDYJVGSQ-UHFFFAOYSA-N 408.418 1.768 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1722384361 VJNQZCOLOXPPKI-FQEVSTJZSA-N 405.502 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCC[C@H]1C 1722386966 DAMGSGNSWKUTOU-VGSWGCGISA-N 406.490 1.939 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1722408771 RNZZCRCPBNBIKD-UHFFFAOYSA-N 421.461 1.329 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1722446546 CYHVAOCDYMEYRW-MRXNPFEDSA-N 414.441 1.093 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722585107 SSWKFZQKXZQFTD-HNNXBMFYSA-N 410.931 1.728 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1scnc1C 1722702077 KDHFPTVQXXEDDJ-UHFFFAOYSA-N 403.512 1.104 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccsc1 1722725406 ODDSBGIZPNQDPC-UHFFFAOYSA-N 423.564 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccs1 1722727149 MFANMVWUQGPYIN-AWEZNQCLSA-N 409.537 1.528 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)C1CCCCC1 1740616253 WYLXHNATQLCPGT-LPHOPBHVSA-N 403.527 1.863 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1740637727 BXTLOJNNTSNHFF-UHFFFAOYSA-N 410.478 1.241 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nncn1C 1740680925 SMKXUUZJDBUYAK-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCSC(C)C)CC1 1740700830 JRIRNXOBKKGWMO-UHFFFAOYSA-N 420.583 1.524 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1740942308 LAAQAKFZMLMUSD-JBYIUTFZSA-N 421.586 1.902 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOCC1CC1 1741919356 BJJOOQKGZLPTEW-OAHLLOKOSA-N 424.571 1.835 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1748639382 GFXUFEOYGIHGIZ-HUUCEWRRSA-N 405.524 1.793 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1OC 1748667121 NOBPPMMWEGBQJG-JJRVBVJISA-N 401.467 1.515 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1748747328 GJTZTIRFTKUIIQ-GJZGRUSLSA-N 401.467 1.659 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1748751459 XKZMKFAMOOFLRA-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748758314 YXUIBGHORGPDOI-UHFFFAOYSA-N 405.462 1.349 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N(C)Cc1ccccc1 1748852207 ZDTSGGQYGLJZPZ-HXUWFJFHSA-N 418.545 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@H]1C 1748892663 USDHPLFHCREFLF-HLIPFELVSA-N 404.536 1.194 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(F)c1 1748961217 XSVYJOBBGWPWKJ-QGZVFWFLSA-N 415.469 1.706 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749022074 DQUDNKNIIFJSJR-QGZVFWFLSA-N 420.583 1.732 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1749043176 FNVPYEAHWXEGPU-KRWDZBQOSA-N 415.567 1.469 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749189778 RXHMAVXGOLDNRB-OAHLLOKOSA-N 412.498 1.239 30 10 HDEE C=C(C)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1749207667 PXUVBQYRNMUEQI-APWZRJJASA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1749663535 JEUFEQINZBWLAK-IAGOWNOFSA-N 411.510 1.680 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1749971466 LCKPQRTXPGLGRM-WOUAJJJCSA-N 407.515 1.672 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCOCc2ccccc2)CCO1 1750388745 RJSQSUOVZYZNCW-GOSISDBHSA-N 410.478 1.346 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1751094688 MYCIFNPEOPRXLD-JEWRLFTDSA-N 423.539 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1760107315 NOGPHVNWWBGTCA-HUUCEWRRSA-N 416.503 1.609 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760158067 JFNXWBCSBUTQCJ-SFHVURJKSA-N 413.503 1.765 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1760194023 BGSVQXRHPRXIKP-CQSZACIVSA-N 421.473 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCSC1 1760209600 GJIXERKYDBLMLU-OAQYLSRUSA-N 412.515 1.807 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCc1ccco1 1760232498 GXRZWFJFIIGGJW-UHFFFAOYSA-N 410.434 1.375 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1760254470 XVYGLQNNGZIYGT-LJQANCHMSA-N 423.565 1.825 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccc(OC)cc2)n1Cc1nnn(C)n1 1760297527 XRICOMCMOVLRPH-OAQYLSRUSA-N 406.494 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)C1 1760541506 DALJWDQMUYFNNR-GJZGRUSLSA-N 404.515 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1760548943 SXELNARCIQAXBU-UHFFFAOYSA-N 409.556 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@]2(CCOC2)C1 1760554081 QTMNNKWLCTVNHV-FQEVSTJZSA-N 417.535 1.866 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1760696200 FZYUHOPYRGZRCL-RYQLBKOJSA-N 409.494 1.652 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1761359013 LASOZYGPFAROGQ-BHYGNILZSA-N 413.478 1.995 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCN(C(C)=O)CC1 1764918371 ZSRIZSRCHNYZGV-UHFFFAOYSA-N 422.537 1.692 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1770052313 ROOLMXCWYSMODB-SIXWZSSISA-N 421.523 1.700 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1770156327 GCZREDXXHNASJI-SFHVURJKSA-N 413.478 1.869 30 10 HDEE CS[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770406234 UWEIDIQIBZYLMX-LBPRGKRZSA-N 415.523 1.703 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)CC1=O 1850570321 DDYWGHPWXWRVEB-IFXJQAMLSA-N 410.430 1.378 30 10 HDEE Cc1cc(-n2cc(C(=O)N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)nn2)ccc1F 1852161601 UVYPGIMXADYSLU-UHFFFAOYSA-N 421.436 1.949 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CCO1 1852749519 XOZYENXOZKYYPH-HKUYNNGSSA-N 417.462 1.466 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CC(S(=O)(=O)c4ccc(F)cc4)C3)cnc2c1C#N 1852998303 FQCVFUFJRXKZSA-UHFFFAOYSA-N 413.434 1.655 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)Cn1cccc1 1853040114 LQTRBSSBTJCIIE-UHFFFAOYSA-N 412.457 1.987 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(c4nccc(C#N)n4)CC3)C2)cc1 1853232426 YDSYVWSDMWAZSV-GOSISDBHSA-N 412.519 1.242 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)c1 1853266102 XXVQSIQLFBMTAX-AWEZNQCLSA-N 409.446 1.719 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2nc(-c3ccccc3)ncc2S(C)(=O)=O)CC1=O 1853333798 WGZDXCUAHFFFTN-CQSZACIVSA-N 400.460 1.520 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCC2 1854187454 ISRIKIXUZTXLQN-IBGZPJMESA-N 408.502 1.705 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(C)cnc2C(F)(F)F)C1=O)[C@@H]1CCN(C)C1=O 1854194777 VZNPJCUIQWBSQK-CABCVRRESA-N 424.423 1.869 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCCC[C@H](N(C)CCC#N)C2=O)c1C 1856389582 WTXFVWJJBLOZRJ-KRWDZBQOSA-N 410.478 1.951 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@@H](C)CCC#N)CC2=O)cc1 1856408144 NEBIUUUVOVLIRV-INIZCTEOSA-N 421.519 1.612 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CC(Cn4ccnc4C(C)C)C3)C2=O)CC1=O 1856515256 BJMFGMDGGLHNDZ-ROUUACIJSA-N 413.522 1.100 30 10 HDEE Cc1cnc(N(C)[C@@H]2CCN([C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C3=O)C2)nc1 1857146118 KUCDJJDPLQZWBA-RTBURBONSA-N 404.474 1.609 30 10 HDEE CCc1nccn1CC1CN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)C1 1857253241 TZNSIGNUNWIUFF-IBGZPJMESA-N 405.502 1.867 30 10 HDEE Cc1cc(CC(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)on1 1857463746 WUYYOUMPIPAXJJ-OAHLLOKOSA-N 409.446 1.321 30 10 HDEE Cc1cccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858323348 XUQZVCVFLCJVTR-MRXNPFEDSA-N 405.501 1.608 30 10 HDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868783936 UOWBFEKTZFJANL-WMLDXEAASA-N 404.536 1.513 30 10 HDEE CN(C(=O)Cn1cnc2c(nnn2Cc2ccc(C#N)cc2)c1=O)C1CCCCC1 1870103164 FLMWBEGWKIUMRN-UHFFFAOYSA-N 405.462 1.699 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CSc2nccn2C)cc1=O 1870300484 HTCKOCGRZHOOJE-UHFFFAOYSA-N 402.520 1.608 30 10 HDEE N#Cc1ccc(NC2=C(c3cccnc3)C(=O)N(CCCN3CCOCC3)C2=O)cc1 1873271320 UUOLQHMEFJBZAZ-UHFFFAOYSA-N 417.469 1.868 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1C(=O)O 1874435509 KQMXSIZMXCBSQO-AWQFTUOYSA-N 419.463 1.540 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC3(CNC(=O)O3)C2)[C@@H]1c1ccc(C#N)cc1 1890716526 HWNSEWZCBLSKJB-IRXDYDNUSA-N 414.487 1.273 30 10 HDEE N#Cc1ncccc1S(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2118169275 WGUOLOHHBJYKCT-INIZCTEOSA-N 416.459 1.269 30 10 HDEE CN(CCC#N)C(=O)CCN=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174571463 RTBIKUIITOVQAB-MHZLTWQESA-N 401.533 1.314 30 10 HDEE C[C@H](NS(=O)(=O)CC1(C#N)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2174789739 USGJNEQFPOKLFR-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CCC#N)CC1CCC1 2181053369 KTKSIGGRGMEHDD-HNNXBMFYSA-N 401.529 1.857 30 10 HDEE Cn1cc(C(=O)N2CCCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243388607 MICAOCZFQQCEKA-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243403197 TXJZLWYWLUYMJZ-QPSCCSFWSA-N 410.320 1.955 30 10 HDEE CN(CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247824266 WMRPPVPQOTYYGY-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267352142 BIKVYTCAYUBHMO-UHFFFAOYSA-N 403.718 1.069 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267469848 BEUIKOJQJPOWBO-DEOSSOPVSA-N 407.388 1.235 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270541144 XQQIXQIYDFAZTP-GOSISDBHSA-N 422.503 1.520 30 10 HDEE CC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CS(=O)(=O)C1 2281966534 QDBUAHGIISJSSD-UHFFFAOYSA-N 419.761 1.865 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1N(C)C 2282330090 VGOFLPGOXXSSFJ-STQMWFEESA-N 400.375 1.618 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@@H](CN)C2)c1B1OC(C)(C)C(C)(C)O1 2282488018 ACYJVQNARSOZFJ-BETUJISGSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCONC2)OC1(C)C 2282491119 JVBNZNLPNHXDJF-LLVKDONJSA-N 402.709 1.211 30 10 HDEE CN(C1(CO)CCC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282496485 BQWLJEJHYALKFJ-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE Cc1c(C(=O)N2CCC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282593980 YAAALRMEYUYMFE-AWEZNQCLSA-N 405.304 1.253 30 10 HDEE C=CCO[C@@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832812 RVGPZAIGNXDOAN-LBPRGKRZSA-N 402.347 1.453 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834162 QBPPDFADAKJZPO-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE COCCOC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282849577 DEVYFERLUDVPMB-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1(C)C 2282849859 HRXLSUQAAQDCNJ-CYBMUJFWSA-N 400.375 1.808 30 10 HDEE CC1(C)C[C@H](N)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855972 LRNCXWAQOSXHEQ-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284395464 LQLXQDWRMBXBKU-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@H](C(=O)O)C[C@H]1C 2284399674 NCBPSRTYQUZGFO-KOLCDFICSA-N 401.315 1.592 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284403412 PRTCTMNILVBVBF-LLVKDONJSA-N 403.331 1.682 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@](C)(CO)NC(=O)OC(C)(C)C)[nH]1 2300129664 NHYJNRVEFGVUAZ-OAQYLSRUSA-N 421.347 1.799 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@](NCCC#CBr)(C(=O)O)C[C@H]21 2324760843 KKTYLWYRDCVVJZ-PBFPGSCMSA-N 417.300 1.944 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363528346 ROOOLLKMGMPZNG-GJZGRUSLSA-N 413.565 1.897 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)c1cnn(C)c1I 2365198062 DBYIPORWHRJHFC-NSHDSACASA-N 409.293 1.502 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2365211322 NJSHOKUGSBLYBM-OWCLPIDISA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1 2367803486 LMCSRUWJTRACLZ-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H](C)NC(=O)OC(C)(C)C 2367811834 MKVBTPLIUHBPCZ-XHSDSOJGSA-N 402.557 1.599 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2375226865 MKXRXZWNVQSBAD-KSSFIOAISA-N 402.513 1.257 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CN(S(=O)(=O)N2CC[C@H](C#N)C2)CC1(F)F 2379734631 AALYPGBYKLSKHF-IUODEOHRSA-N 408.471 1.559 30 10 HDEE NC(N)=NCCC[C@@H](NC(=O)COCC(c1ccccc1)c1ccccc1)C(=O)O 3874938 RRKKJYBCPXAJAO-LJQANCHMSA-N 412.490 1.458 30 10 HDEE C=CCn1c(N/N=C\c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C 48523179 MGEKJGAJAFREEP-LSCVHKIXSA-N 419.239 1.523 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 441416795 QAGMCLRKRFKPRF-GFCCVEGCSA-N 409.414 1.698 30 10 HDEE COC(=O)[C@@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Oc1ccc(F)cc1 480736994 VNCOOSDFRLXVLI-QGZVFWFLSA-N 410.398 1.876 30 10 HDEE CC(=O)N(C)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482505161 HPSWJFKJFZFDEZ-CYBMUJFWSA-N 400.460 1.846 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2cccc(F)c2C#N)CC1 490272361 NZQPAOZLYHOCDU-UHFFFAOYSA-N 402.451 1.568 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 501885101 FKPOQJSYWVYAJU-NRFANRHFSA-N 424.526 1.723 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2OC)[C@@H](C(N)=O)N2C=C(C(C)=O)C=C[C@@H]21 504262252 YYPVANGPPPMEJQ-IWQHBPENSA-N 409.442 1.433 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 519194063 NRJAPBRMLLAMQA-FGTMMUONSA-N 402.495 1.116 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)ccc1C#N 519533312 IVLFIJCBMBIMTN-UHFFFAOYSA-N 421.501 1.954 30 10 HDEE N#Cc1ccc([C@@H](NCc2ccccc2CS(=O)(=O)N2CCCC2)C(N)=O)cc1 532855853 AVOXKMBYJBRYOE-HXUWFJFHSA-N 412.515 1.800 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2(N3CCOCC3)CCC2)CC1 538829095 GYNCLYOWPWAUBK-UHFFFAOYSA-N 411.462 1.710 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)O 541000053 BYQJRYBTJMDOOI-CQSZACIVSA-N 400.522 1.598 30 10 HDEE C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2cccc(C#N)n2)CC1 545502227 FGNZMENLJPHKKB-QGZVFWFLSA-N 421.501 1.594 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(Br)s2)CC1 550846279 NOTFAFVLMCSQDZ-UHFFFAOYSA-N 402.314 1.579 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CCNC2=O)C(C)C 560169814 AANZNRDLPRJDNI-GOSISDBHSA-N 416.497 1.865 30 10 HDEE Cc1ncn(-c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)c1C 585483206 JZECHTKJOROIKJ-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 604172479 HZAFTRVBBBIJEH-MRXNPFEDSA-N 413.522 1.726 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@H](n3ccnc3)C2)n1 611607576 CSHQDRQTKFYMHC-AWEZNQCLSA-N 407.409 1.882 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1C#N)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456488 DZWULAXZRHTGPM-HNNXBMFYSA-N 413.503 1.355 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOC(C)(C)C)C1=O 726401415 PMYQKOYRWQOCSN-CQSZACIVSA-N 406.508 1.668 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 729332236 LHIZQUUIOMXRJQ-WMZOPIPTSA-N 406.479 1.327 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)[C@H]1CCS(=O)(=O)C1 729332681 USYHHXGSJDDWDF-MSOLQXFVSA-N 410.495 1.842 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1C1CC1 732701111 KUOFNNQOKGQHJX-QGZVFWFLSA-N 401.486 1.669 30 10 HDEE Cc1ccc(NC(=O)COC(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N(C)C 734601538 VBVJGMQLQOOBTK-UHFFFAOYSA-N 402.432 1.308 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 743220694 KQMMSUQGEJAAQK-KSSFIOAISA-N 413.478 1.572 30 10 HDEE CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746173075 FLONTHLAZJMDFC-FMQUCBEESA-N 406.433 1.772 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=CC(=O)Nc2ccccc2Cl)C1 749787665 VGQMYIKCBYFNEG-OAHLLOKOSA-N 410.902 1.754 30 10 HDEE Cc1noc(C)c1CCCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 753673975 XKUISEIYFVRCCU-UHFFFAOYSA-N 404.492 1.859 30 10 HDEE COCCOc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc2ccccc12 759063194 DDDKKZZHSUCYIE-VZCXRCSSSA-N 410.430 1.516 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)CCCCC1 760400695 NCTLYLHIMWNQNS-OAHLLOKOSA-N 413.565 1.998 30 10 HDEE COc1c(F)cc(CC(=O)Nc2ccc(F)cc2OCC#N)cc1S(N)(=O)=O 760977704 OPKDGMAFGLXHLM-UHFFFAOYSA-N 411.386 1.704 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nnnn1C(C)(C)C 766180253 HIQNPSVJGAUXCF-NRFANRHFSA-N 424.461 1.636 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CN(C(=O)OC(C)(C)C)c2ccccc2)CC1 769086797 HYKZVWMYJKSDLG-UHFFFAOYSA-N 416.522 1.875 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)cc1 770091216 JSCYSKXZGKLDJA-UHFFFAOYSA-N 406.221 1.482 30 10 HDEE COCCCOC1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 777566836 OKBNSPQAXMCYQX-DYTRJAOYSA-N 424.523 1.769 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cccc(F)c3C#N)ncnc1-2 778733218 CNUBUDAWIYBJFI-UHFFFAOYSA-N 418.230 1.352 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 782590713 FMWUWPHRKDKADU-UHFFFAOYSA-N 416.235 1.889 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CCCn2ccnn2)C1=O 784124881 LPNHMTAIQVPMDX-OAHLLOKOSA-N 404.471 1.884 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)n1 788544908 QZNRMQURRKPTNQ-UHFFFAOYSA-N 419.507 1.447 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1 788579766 YGSGNTGWWGQJIQ-OSEFQUDUSA-N 419.507 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)n1 788693942 VXMRDDHWEQWKOG-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE C#CCN(CC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 798804868 IIJAPFKRVNUDKZ-HNNXBMFYSA-N 410.293 1.588 30 10 HDEE C#CC[C@]1(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)CCCN1C(=O)OC(C)(C)C 808595886 SSAIMJSWAZDAMC-HTAPYJJXSA-N 420.506 1.960 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)[C@@H]1CCCO1 814391634 MVACFHBZIXZSKS-SJORKVTESA-N 400.522 1.080 30 10 HDEE C/N=C(/NCCN1CCOCC1)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 849087385 DXYITRJVLXRSJM-KRWDZBQOSA-N 405.543 1.027 30 10 HDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1O 1084371891 MWXBQBGVNGONRF-UHFFFAOYSA-N 406.453 1.547 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)NCc3ccccc3)n[nH]2)cn1 1084601280 OXGHERCLXPLAAS-UHFFFAOYSA-N 414.495 1.502 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 1116539444 VOZGWOBKCBGILD-HRAATJIYSA-N 401.463 1.893 30 10 HDEE COc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1-n1cnnn1 1132134233 GATQDVFYEHMLQA-UHFFFAOYSA-N 404.430 1.978 30 10 HDEE N#Cc1cccc(OCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1132815935 XQTYJWRFQQPQMK-HSZRJFAPSA-N 405.454 1.967 30 10 HDEE C[C@@H](O)CN(CC(F)F)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1140844127 FPXGIIGJBICTSO-CYBMUJFWSA-N 417.478 1.760 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)O[C@H](CC(F)(F)F)C1)c1cc[nH]n1 1148489116 BJNAXPYQOPASJL-WDEREUQCSA-N 406.361 1.262 30 10 HDEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1149445323 MCKANUOHCMFUMV-UHFFFAOYSA-N 409.508 1.232 30 10 HDEE COc1ncc(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1C#N 1154581568 CYQCQXOUYSMWMR-OAHLLOKOSA-N 417.466 1.664 30 10 HDEE CC(C)(C)OC(=O)COCCOCCNC(=O)c1ccn(-c2cccc(C#N)c2)n1 1158879666 STDDYSVQUHVYOA-UHFFFAOYSA-N 414.462 1.849 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)C3(C#N)CCSCC3)n2)CC1 1160928817 WZRSKUFBXLSOGJ-UHFFFAOYSA-N 421.527 1.837 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 1167231723 IUTGZJLGFQPGCL-SCLBCKFNSA-N 412.471 1.055 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)ccc1Cl 1175612391 RPSVSSKBLRVGMB-MJGOQNOKSA-N 404.898 1.875 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)ccc1F 1181579557 IQJUOXQEHLFOJI-AWEZNQCLSA-N 419.482 1.431 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2snc(Cl)c2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 1187793123 XQXPMGXVAZAVEK-MNOVXSKESA-N 418.928 1.891 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN4CCSC[C@@H]34)C2=O)cc1 1226111420 IRQPVMZWYKFEKV-QYZOEREBSA-N 413.547 1.933 30 10 HDEE CN1C[C@@H](CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1251103850 IYZKSAAYDAXUCT-HNNXBMFYSA-N 409.494 1.426 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)n1 1252478993 GXNXFPAJMZQWIC-SFHVURJKSA-N 424.571 1.003 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1256585392 QJSVKAJMBLARBB-KRWDZBQOSA-N 423.558 1.147 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccnc2S(=O)(=O)C(F)(F)F)CC1 1272409348 VYDVRJPSQJAYPQ-UHFFFAOYSA-N 405.354 1.294 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1286282622 NWWYIWRKUWMFIN-FOGNVHKLSA-N 424.534 1.680 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1286378739 VMCVYNSRQWHKJN-UHFFFAOYSA-N 402.520 1.719 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286391423 DKDISRQQUBFIEZ-INIZCTEOSA-N 420.510 1.406 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286395873 SQPWHMIDBHNNIB-IAGOWNOFSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1286396973 ZKJAEKKPZWIFQL-GOSISDBHSA-N 424.530 1.701 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(-n2cncn2)c1 1286398345 JDBKEYKBFYRDDE-UHFFFAOYSA-N 402.462 1.118 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCCC(=O)N(C)C 1286424086 YGLTYCHTUIOZRD-NRFANRHFSA-N 401.511 1.262 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC(=O)N(C)C 1286469348 HUYQLOQEBGKGHQ-SJLPKXTDSA-N 405.543 1.761 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2cn[nH]c2)CC1 1286472231 FQOSDWKDXKUULS-OAQYLSRUSA-N 413.526 1.040 30 10 HDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)C1 1286513884 ZDHVNXWBLHKEEZ-NVXWUHKLSA-N 405.568 1.842 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286610907 DBKLGRLFICTUHF-WMZOPIPTSA-N 403.527 1.997 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)CC1 1286637746 LZILURRYWXFWNH-MRXNPFEDSA-N 422.599 1.919 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1286755667 AAELRNDJJJDWHS-JOCHJYFZSA-N 422.489 1.522 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C(=O)NCCC)CC1 1286785311 IVVVKTBKNOBEGV-UHFFFAOYSA-N 413.526 1.328 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)NC)C1 1286804863 OSHURYBVMNJVDR-QGZVFWFLSA-N 421.523 1.284 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286825609 TYJQGQQFSFFWPR-TXPKVOOTSA-N 412.556 1.623 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286969342 FTSLZJNBEDKFNL-OXJNMPFZSA-N 417.535 1.209 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1288002355 SIRZPNDWODNZEM-VQTJNVASSA-N 410.522 1.887 30 10 HDEE C=CC1(CC(=O)NCc2ccc(S(N)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 1290012932 NPYZWUWAKBTZEN-UHFFFAOYSA-N 415.537 1.825 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC(=O)N1C 1291218749 YZPPFICEXVWYAN-YJBOKZPZSA-N 410.478 1.289 30 10 HDEE CC[C@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1292366206 VQHKAGOULBEUPR-XDSRXIPYSA-N 414.510 1.762 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)CC1 1294723076 NEXRKDDJQVZQCW-LBPRGKRZSA-N 405.252 1.459 30 10 HDEE CNC(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1299262466 FOOOEUZONGQDKS-AWEZNQCLSA-N 411.514 1.088 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CC(OCC)C1 1300287100 UBVMQFFMPLFALZ-AZOSJMHDSA-N 422.493 1.309 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1300622361 WQHHRFPRNYVFIF-MRXNPFEDSA-N 414.510 1.312 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCO[C@H]1C 1300650113 YOWRLISLIUKUAE-KSFYIVLOSA-N 424.480 1.997 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300767102 QXASWVNLIFJFMA-GOSISDBHSA-N 404.565 1.702 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1301560188 OPYSSNMOYOKRNP-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(COC)CCOCC1 1302099283 UETOQCOMAWIQMF-IAGOWNOFSA-N 423.514 1.174 30 10 HDEE C#CC[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1312322332 QAPMZZUZZFEJGR-BKVYSMKUSA-N 418.515 1.949 30 10 HDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1313091685 XTTQSPFZFYRDPI-FQEVSTJZSA-N 412.534 1.850 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1314824057 WKJBPSGCSYGGJP-UHFFFAOYSA-N 412.466 1.800 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1315744186 PNEXPVKNDPHLPH-VQIMIIECSA-N 424.505 1.537 30 10 HDEE O=C(CNC(=O)c1ccccc1C(F)(F)F)NCCN/C(O)=C1/N=CC=CC1=O 1319050495 CELIZTXSPYLWHR-ICFOKQHNSA-N 410.352 1.078 30 10 HDEE C=CCO[C@@H]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1320037472 FNSCTXZZZZVROC-LLVKDONJSA-N 421.475 1.264 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1349600508 JFDJMSWOQMUWEW-HNNXBMFYSA-N 400.866 1.573 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccnc1 1359018270 JYKPFQMAMTUURL-UHFFFAOYSA-N 405.462 1.649 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ncccc2N(C)C)CC1 1359036970 PFLHQXRYXAQAPC-UHFFFAOYSA-N 416.533 1.528 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359214757 LJJOLRPKJJBGPS-HNNXBMFYSA-N 410.544 1.056 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1359343738 ZRDLICABEBSCSB-CABCVRRESA-N 400.570 1.572 30 10 HDEE CC(C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359707504 VCXOKVINUHEMPJ-UFOSLELVSA-N 415.498 1.020 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCOCC2)CC1 1360192554 BHVRJZKTZANCAR-UHFFFAOYSA-N 401.515 1.021 30 10 HDEE CN1C(=O)CN(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1439789905 SOJIXIGGFWDZJG-BQBZGAKWSA-N 423.260 1.510 30 10 HDEE C[C@@H]1CCn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2C1 1441011208 MSHIMIYCFIWNED-OAHLLOKOSA-N 413.503 1.484 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1456864249 RUJSGPWHPQXSCK-CZUORRHYSA-N 405.838 1.355 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 1456955049 MBJBSIBJVJGLAK-SJLPKXTDSA-N 410.430 1.925 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCNC(=O)C3CCC3)CC2=O)cc1Cl 1457398925 ZBHUOFYCZBDIRU-OAHLLOKOSA-N 402.882 1.987 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3ccc(C#N)o3)CC2)cc1 1461399799 WHRFJFMXXWPILI-UHFFFAOYSA-N 418.475 1.042 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462721530 MBUBPJJTGOZMOZ-KMFMINBZSA-N 419.865 1.791 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)C[C@H]1CS(=O)(=O)C2 1463165796 YVSIOZOXGSGPBT-SUMWQHHRSA-N 424.404 1.901 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 1468503282 CCAYDIWWHXVDSK-SFHVURJKSA-N 417.941 1.385 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(=O)OC 1468875474 LLVDSMKBQKVYSF-JKSUJKDBSA-N 403.504 1.619 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1468880587 BJPPJPHJIQYSSS-MRXNPFEDSA-N 400.456 1.345 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(Nc3ccccc3C#N)CC2)n(C)c1 1470615312 NVSVVEXJAWCPOS-UHFFFAOYSA-N 415.519 1.864 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccccc1 1477816424 SVFAHBGZVKQIKT-GOSISDBHSA-N 401.488 1.473 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@H](O)COc1ccc3c(c1)CCC(=O)N3)C2 1479158450 HVOGMTBHFYWYIR-OALUTQOASA-N 420.469 1.649 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 1479312569 ITRALQPFYYFMHC-PZJWPPBQSA-N 409.534 1.217 30 10 HDEE CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1500489845 BMRSMVYIOBORRT-CRAIPNDOSA-N 410.544 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507520161 XNODNOFZXUWYNV-FCEWJHQRSA-N 410.540 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1507540509 ZSEGTPOSHKOLTK-HOTGVXAUSA-N 409.556 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1507547457 LNDGGBSOFLGZFN-YVSFHVDLSA-N 410.540 1.285 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507623727 WFWNJRWYQXALQT-SFHVURJKSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1507673689 ZCBSAALJPLOLLH-UHFFFAOYSA-N 404.478 1.509 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cncn2)CC1 1507732564 PLUAOYBZEJVJSA-UHFFFAOYSA-N 420.521 1.521 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507875105 ZQEDPNASFBBSSC-MPTYRVRUSA-N 409.918 1.812 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)CC1 1507905751 BVKSHDPUYGKCND-INIZCTEOSA-N 400.527 1.938 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1508088976 HTSBCRXYIMWWEV-MSOLQXFVSA-N 403.527 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](COCC)C1 1508137745 QRXMYIUYAZRYLL-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C[C@@](O)(Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510231821 ALLABKYJBQZWJT-DENIHFKCSA-N 404.474 1.900 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1517561577 CQROHEAFZNDSGH-BTYIYWSLSA-N 412.494 1.319 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1518443742 HNUTXTVTZVNSGX-WMLDXEAASA-N 410.478 1.597 30 10 HDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1519371092 YYKAGVRNKCCCDA-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE C#CCCN(CCOC)C(=O)CS(=O)(=O)Cc1cccc(Br)c1 1529947020 YAFOTHLHOCGVGQ-UHFFFAOYSA-N 402.310 1.862 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1539194894 HYXNWDJMBVPZGV-UHFFFAOYSA-N 403.870 1.439 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(CC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1539215770 IPFRKKGEJMGTRZ-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1cnnn1C 1539422482 DDJVDAPVDFKWHK-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOCCN(C)C 1539542234 WMURCOAENQYYHC-FGZHOGPDSA-N 419.570 1.889 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1539669910 VUIAUZFFGKPLLB-SXBQZSJRSA-N 400.570 1.494 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540036924 XPRFWYIYZUMUOL-QRVBRYPASA-N 405.543 1.532 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1540871790 UGVRWFVZODKSJR-MRXNPFEDSA-N 413.478 1.839 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)F 1541802192 LUCNQUBPYQEQOT-SNVBAGLBSA-N 409.397 1.125 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1541998202 WMBHAZRQQQSEEI-JKSUJKDBSA-N 407.478 1.043 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)CC1 1542895050 YDIRPZCDHVVOIL-IUKKYPGJSA-N 417.550 1.418 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Br)cc2C#N)C1 1543820353 DHSLLZSFLIRQOU-NSHDSACASA-N 400.298 1.722 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)cc1 1554896622 FGVISVNYUDKSKJ-SFHVURJKSA-N 412.494 1.325 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1ccco1)N(C)C 1555670947 ORDLGLXXHFVBLO-BRWVUGGUSA-N 418.498 1.627 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)CCO1 1555993068 HKPISTSQJAHGQP-HZPDHXFCSA-N 419.482 1.291 30 10 HDEE Cn1cc(-c2nn(C)cc2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1556496542 VVSSSWRHQKQDAJ-UHFFFAOYSA-N 402.411 1.509 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@H](c2ccc(F)cc2)C1 1558211416 DODGJKFXBHNBPI-INIZCTEOSA-N 402.451 1.037 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nn(C)cc1O 1558682835 NDWXBVZAMZJSJQ-JSGCOSHPSA-N 419.507 1.600 30 10 HDEE CCn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)c(C(N)=O)n1 1558885573 YBSQFOBMYUDVMD-UHFFFAOYSA-N 417.267 1.711 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccc3c(c2)C(=O)NC3=O)c(=O)c1C#N 1558973349 OAPCJQFKBKSSGT-UHFFFAOYSA-N 415.203 1.367 30 10 HDEE COCCOc1ccccc1N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1559626598 VAGLVLFMYGYVPN-IBGZPJMESA-N 403.523 1.905 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C(=O)OC)C[C@@H]2[C@@H]2CCCO2)c1 1560165244 GGQIEDVHFAFZBZ-UHOSZYNNSA-N 413.474 1.749 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)OC(F)(F)O3)n1 1561531902 UXKVKMXVSPLWTG-UHFFFAOYSA-N 413.402 1.675 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 1564628560 XIPSVMWEFDMXEL-UHFFFAOYSA-N 419.906 1.870 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)c1 1565113410 KQIOSPNYADCTCP-GOSISDBHSA-N 411.487 1.455 30 10 HDEE CCc1nnc(S)n1CCNC(=O)COc1ccc(C#N)c(Br)c1 1565801157 MGBJXEMFRPTLQU-UHFFFAOYSA-N 410.297 1.959 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 1565963762 YHGMONWIAOSUMR-AWEZNQCLSA-N 412.922 1.793 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1583811248 AFQPYYLTXWAKTP-LIRRHRJNSA-N 412.471 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1587625843 CPLPGXLJHHSALH-CJNGLKHVSA-N 401.492 1.139 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n1C)C(=O)OCC 1588122894 WKCFABGYOLTKMF-CYBMUJFWSA-N 402.838 1.990 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(F)c1)N(C)C 1588128722 QDONXZGSGPQEBS-MOPGFXCFSA-N 408.481 1.744 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(OC)c1 1588158509 FLQAWLDEFFJDBE-UHFFFAOYSA-N 421.501 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(O)(CC)CC)CC1 1588929775 GHQDCUUMUVOFFH-GOSISDBHSA-N 417.554 1.689 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1589110779 ZJJPAVLXQQMTLF-SJORKVTESA-N 403.552 1.630 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1594775508 UTLJICHQXPEWEB-UTKZUKDTSA-N 418.542 1.841 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)COC)C1CC1 1595054693 PBZMFSWRZWGFBW-ZBFHGGJFSA-N 413.544 1.048 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1595108895 NVQDZDXWEFEMTO-HNNXBMFYSA-N 420.539 1.169 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1595244266 XWTYRTLVOLXDDL-HXUWFJFHSA-N 403.483 1.396 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1595550444 DQKCHGUJGKTCDO-UHFFFAOYSA-N 402.543 1.664 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@H]1CCCOC1 1595602871 SYROCKZDZCIWNS-GXTWGEPZSA-N 407.425 1.995 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CC2)C1 1595664722 JGUMIKFRROPVST-KRWDZBQOSA-N 418.542 1.062 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1Cc2cccc(C#N)c2C1 1611562935 XKLJVCSOTLQTII-UHFFFAOYSA-N 400.460 1.074 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613238233 ODFKBBFZWOFYNA-ZOBPERPXSA-N 401.446 1.760 30 10 HDEE CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1615226258 OIPGCKFXUZSELN-OAHLLOKOSA-N 412.475 1.866 30 10 HDEE CC(C)(C#N)CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1618244350 SRNJJJLTXVUAIY-UHFFFAOYSA-N 407.515 1.743 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]2CCCC[C@@H]12 1620056591 DQUDKMFIXCZPIZ-MTQWCTHYSA-N 404.555 1.732 30 10 HDEE C=CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H](Cc1ccccc1)C(=O)OCC 1625224209 BJHAUGFNHKMUFW-QGZVFWFLSA-N 410.430 1.010 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1ccc(F)c(F)c1 1627264864 ISNZECUVWINHJB-VLGSPTGOSA-N 402.361 1.110 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1627389465 BHXMPMYVIYGPNF-LPHOPBHVSA-N 406.360 1.799 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)c1 1631078425 FEFKFRHBLHCSSN-UHFFFAOYSA-N 413.499 1.911 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2[S@](=O)C(F)(F)F)CC1 1632623709 HYTPVIFZWGYDIV-NDEPHWFRSA-N 415.437 1.211 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3nc(CC(=O)OCC)cs3)cc2C1=O 1634436632 BADCJIRKLVQUOK-UHFFFAOYSA-N 413.455 1.961 30 10 HDEE C=C(CN(C)C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1634591643 FHWZWOLIEKFUHI-UHFFFAOYSA-N 402.467 1.417 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1635213156 RBSSMAUTHFRPFY-OAHLLOKOSA-N 415.515 1.929 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3F)C2)nc1 1635415745 PINDZZJJPIFGSV-CYBMUJFWSA-N 403.439 1.456 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCS(=O)(=O)C3CCOCC3)C2)nc1 1635438689 ZDIMTEPVOJHDML-INIZCTEOSA-N 421.523 1.133 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1637390405 ULWLYEVKECHIQL-DLBZAZTESA-N 411.499 1.706 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)CCOCC)c1ccc(Br)cc1 1637663694 ZACVXNRYVCXZTH-AWEZNQCLSA-N 403.298 1.196 30 10 HDEE C#CCNC(=O)C1CCN(C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 1642862084 QTXACZACOPRGLT-HSZRJFAPSA-N 413.518 1.612 30 10 HDEE Cn1c(O)nnc1CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1643832300 DINWHLYUPASUOC-INIZCTEOSA-N 412.450 1.543 30 10 HDEE CONC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1644121718 HXKREYRBLXTKJW-ZGOJQLDESA-N 420.510 1.689 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1644587535 NELDLKDHDWXWFF-LJQANCHMSA-N 402.472 1.923 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2[C@H](CNS2(=O)=O)C1 1644632683 CJNYWVGTEAOSEE-QWHCGFSZSA-N 423.564 1.050 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 1644815292 JAVVTAMFZVUIAE-HSALFYBXSA-N 406.571 1.370 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCC(C#N)(c3ccccn3)CC2)CCC1 1645422208 VWSWUMGPVPSUCA-GOSISDBHSA-N 420.579 1.940 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C 1646419743 ITCJSUVQMXIGMY-FQEVSTJZSA-N 405.520 1.440 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N(CC)C(=O)OC(C)(C)C)CC2)C1=O 1648306782 OBXPMBDKUZMQMK-UHFFFAOYSA-N 422.482 1.211 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)CC3(C#N)CCOCC3)CC2=O)C1 1648368703 YVMYJCNPOAROGN-AWEZNQCLSA-N 406.483 1.033 30 10 HDEE C[S@](=O)[C@@H]1CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1651250325 BWSJRLHEBIUBNR-YJRQDOMCSA-N 423.560 1.375 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1653312884 OPNMJTMGXDZVEL-AWEZNQCLSA-N 402.252 1.754 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1659177086 CBMFLFKGIRUDJG-GOSISDBHSA-N 415.559 1.353 30 10 HDEE CC(C)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1=O 1662915535 GAXNQSWBYMKQFO-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1663428473 HDHPGZWTDVNKDP-CVEARBPZSA-N 403.545 1.886 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)S(=O)(=O)CC(C)(C)CC#N 1663815588 HKLMEXPPWQTTPG-UHFFFAOYSA-N 407.489 1.053 30 10 HDEE CN(Cc1ccccc1)C1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCCC1 1665339751 AIAYLXTZZVJQAP-IBGZPJMESA-N 406.552 1.880 30 10 HDEE C=CCCS(=O)(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1665707556 SQRPWHXFMFQMDW-KFWWJZLASA-N 415.512 1.407 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1668852644 VXMBARILJZVWGC-ZIAGYGMSSA-N 406.501 1.050 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)c1 1676362253 BLGOZDAWBNTETJ-UHFFFAOYSA-N 406.508 1.537 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1681433415 GYKOHYQTZIZHTE-CMPLNLGQSA-N 416.404 1.997 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCO2)cn1 1681434425 OFOHSORKJWFRNO-AKCHCHLHSA-N 418.498 1.484 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN4CCSC[C@H]34)C2=O)cc1 1682021219 BVTCAJFSJRNJNV-GBESFXJTSA-N 413.547 1.538 30 10 HDEE CCOc1cc2c(cc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O)O[C@@H](C)C2 1683863908 DYUNZBYTLVWWCH-LBPRGKRZSA-N 413.434 1.042 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1689835379 LHOKSDINUCBDKW-HNNXBMFYSA-N 417.535 1.721 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1689873637 QNYIWHBQMBOMNO-DYESRHJHSA-N 403.527 1.994 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1689876592 FDSPLXOHOCYTNC-FGTMMUONSA-N 403.527 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1690019990 WDPBWDBDVQGYMC-KXBFYZLASA-N 418.544 1.222 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC=C(C(F)(F)F)CC1 1690659573 WWCMYAHEYQGTQQ-UHFFFAOYSA-N 400.405 1.417 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC)[C@H](C)C1 1690725556 URDDFMOXVIJBNO-QGZVFWFLSA-N 418.567 1.395 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC2(CCC2)C1 1690729292 LBMAMVWOBIIPFV-UHFFFAOYSA-N 407.540 1.382 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)no1 1692996165 CXIVEAKSMHPTKQ-SFHVURJKSA-N 405.418 1.802 30 10 HDEE CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1695551919 METOVBXHAHWLRJ-LSDHHAIUSA-N 419.507 1.698 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1696874818 RJBGQMNKHGEZAB-VQTJNVASSA-N 400.433 1.928 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1697758279 YSPNDZKSHATMCP-UTKZUKDTSA-N 410.478 1.337 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1705522419 FBMZZSITOBDUQV-UHFFFAOYSA-N 400.527 1.229 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1705533387 MPHCSYREYFMWQN-KRWDZBQOSA-N 409.556 1.793 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705563839 GQWUEROHMFWNLE-CVEARBPZSA-N 403.508 1.249 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1705584268 DGQPNSUIZHFHMG-UHFFFAOYSA-N 424.468 1.132 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2=CCCCC2)CC1 1705651480 YGHAHQNATGMCNS-UHFFFAOYSA-N 424.549 1.867 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCN1CCOC(C)(C)C1 1705883722 SNQMIDLGJNWYGW-UHFFFAOYSA-N 401.515 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ccccn2)CC1 1705900582 IWBHULQUHNGDIC-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCN(CCC)C(=O)C1 1705906027 PMPZBKRDPVSTEE-UHFFFAOYSA-N 411.510 1.015 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1705908932 JITGOAVDRMFGLY-YRNRMSPPSA-N 405.499 1.206 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)[C@@H](C)C1 1705987231 DIICUNOEUPQSCE-JXFKEZNVSA-N 424.505 1.679 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1706749968 HPKFKHZVUZEAAN-MRXNPFEDSA-N 419.489 1.915 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)cs1 1707752390 PZQHQENMOGEKAX-DLBZAZTESA-N 402.524 1.914 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@@H](C#N)C1 1710983548 DCPWOTGZUKJBJA-AWEZNQCLSA-N 419.283 1.525 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1711238280 XRLMOPNPEVXQKR-GOSISDBHSA-N 410.478 1.291 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722320065 XFZFQYVVUGDBNO-UHFFFAOYSA-N 423.565 1.714 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(F)F)CC1 1722321285 BNKPCTKBAZATEU-UHFFFAOYSA-N 403.437 1.726 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 1722324711 WVBXLAOXMQSQKD-KBPBESRZSA-N 424.552 1.336 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722410200 VVDUDKLSAQGBTP-SJLPKXTDSA-N 416.551 1.937 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1722413362 LZLHLJFZIFWAFS-KGLIPLIRSA-N 423.564 1.852 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(CC)cc2)CC1 1722429267 JRIGYBVMACDPNA-UHFFFAOYSA-N 408.550 1.977 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2cccnc2)C(C)C)CC1 1722438057 YUNMZBCKXRFPRW-VQTJNVASSA-N 421.549 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cnn(CC)c2)CC1 1722445029 JFJGIIRNKWOIGZ-UHFFFAOYSA-N 420.521 1.514 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722458692 QFVCMGLHFYHWCK-ZDUSSCGKSA-N 416.507 1.039 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1722472908 WEWUHXDAUHOXQX-OAQYLSRUSA-N 408.506 1.538 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722525973 MWZAHQWJEGRPDL-FHWLQOOXSA-N 405.543 1.879 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1722691059 PFEUAYUOWSGTSW-XLIONFOSSA-N 402.499 1.911 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccco1)C[C@H]1CCCO1 1722697924 AKXIDTLRHPASCL-SJLPKXTDSA-N 415.494 1.863 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCN2C1=O 1728525358 DEVJMOJQDLIDGC-INIZCTEOSA-N 423.477 1.060 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728638665 UYZFZHKTUCCDIF-WIYYLYMNSA-N 419.549 1.642 30 10 HDEE CCOC1CC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1728912662 AXLYHAIDWHRKKX-ODIFPOPNSA-N 424.571 1.833 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1729618511 WOTKZNFGBRFPSB-UXHICEINSA-N 422.505 1.533 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1740546261 WPNXIZUOGDOFDB-OAHLLOKOSA-N 412.519 1.783 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1740612469 AIDWFXZSUKCAOM-UHFFFAOYSA-N 406.490 1.599 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1740625605 RJLIWLXUHRERLN-WBVHZDCISA-N 422.576 1.840 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1-n1cccn1 1740637535 DSZVDXPMZDUGAP-IBGZPJMESA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCS(=O)(=O)C1 1740644318 BHJXXFWVGZPMFN-INIZCTEOSA-N 419.551 1.094 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740712496 KGNAFVZNBPRWJN-IBGZPJMESA-N 408.531 1.704 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740716778 ZHIOIRHSSXSNPP-QGZVFWFLSA-N 416.595 1.655 30 10 HDEE C#CCSCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723267 OJYAJPZDPWKFNX-XLIONFOSSA-N 424.567 1.537 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1 1740941416 KEFPEZDWJHDUJJ-LSDHHAIUSA-N 400.570 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@](C)(O)CC)C1 1740975162 MQNBRLUGDLKCKL-NQIIRXRSSA-N 424.509 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)C1 1740977415 UZHBCFUWGPIEMP-QGZVFWFLSA-N 417.535 1.946 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1741725568 SWVIOZKZDVGBKY-ORYQWCPZSA-N 419.526 1.599 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2(COCC)CC2)CC1 1748031260 AWAIAVIENCQONT-RMMWZPCPSA-N 400.519 1.679 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1748891045 YXOBUHCYEODEOZ-RTWAWAEBSA-N 412.582 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCC(=O)NC2CC2)CC1 1749010347 QMUPYZIFJOCQFL-UHFFFAOYSA-N 412.538 1.570 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749032327 CPNFJZOPECCPNK-DNVCBOLYSA-N 402.524 1.429 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1749232777 GZSHXBFBXRUNLF-GVDBMIGSSA-N 402.499 1.411 30 10 HDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1749424851 PXIFBTSJMQAOSP-HNNXBMFYSA-N 421.505 1.953 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCOC2)nnc1[C@]1(OC(C)C)CCOC1 1749682091 OGNIYWMHCJVFKL-UTKZUKDTSA-N 421.542 1.484 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1749830811 QYJBKOUUUKVZIG-LVCYWYKZSA-N 419.526 1.877 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(C)ccc1OC 1760175909 VBYVJLGBGLCEDI-KRWDZBQOSA-N 402.520 1.809 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1760252586 RXGAIZRMSHJDKZ-UWJYYQICSA-N 402.543 1.519 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](CCC)OC)CC1 1760257145 PTRFMQFZDGWPEV-SIKLNZKXSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccc2OC)CC1 1760259434 BGDAKFYVSZCGTO-UHFFFAOYSA-N 405.506 1.685 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)OC)C1 1760336088 UUAFXZDLODNFOE-AESZEHBQSA-N 403.483 1.210 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1760460881 GBJLRADVTKQVGB-FQEVSTJZSA-N 412.519 1.682 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCCOCC1 1760552580 SVQXYKPLZZPYIA-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE Cc1nnc(N2CCC([C@H]3CC3(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762554418 YRCRTSDGNXUUNH-UVTIVQHFSA-N 406.437 1.985 30 10 HDEE CNS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1767844192 FNJBSYBIJPTBCE-GOSISDBHSA-N 402.524 1.467 30 10 HDEE COC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1767980578 XQSLOTUVEYQALR-QGZVFWFLSA-N 411.510 1.800 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccccc1F)C(C)C)[C@H]1CCN(C)C1=O 1848930573 BEFMAVPYMAXTFW-RDJZCZTQSA-N 411.499 1.374 30 10 HDEE N#C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1849709417 VJBUKMRHLIAEJK-BXUZGUMPSA-N 415.393 1.757 30 10 HDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2CC(F)(F)F)CC1 1851780653 JIIIJYVWACVILU-UHFFFAOYSA-N 415.372 1.447 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cn(C)nn2)C2(C)CCN(C)CC2)CC1 1853456893 JQAJHPLNGFQSKP-UHFFFAOYSA-N 410.544 1.405 30 10 HDEE CC(C)Oc1ccc(C(N)=NOCCC(=O)N2CCN(C3CCOCC3)CC2)cc1 1853461891 HUHCJCGUKPOZCI-UHFFFAOYSA-N 418.538 1.824 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1=O 1853625702 KFOZIXCYOFUXSP-UHFFFAOYSA-N 406.382 1.911 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4ccncc4)C3=O)CC2)CC1 1853675774 QCTUDLOZXWQAKX-LJQANCHMSA-N 409.490 1.297 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O)n1cncn1 1853774127 VJMHUDQAVGAICS-HKUYNNGSSA-N 406.490 1.914 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(c4cnco4)CC3)CCC2=O)CC1=O 1853783049 VCKPGZLNPZXEDZ-WMZOPIPTSA-N 414.506 1.654 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1=O 1853829557 WIKDCBVCHGKZGF-SJORKVTESA-N 419.909 1.955 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3ccccc3)C(=O)C2)cc1 1854031318 AQBPTTGMUPOBQA-RBUKOAKNSA-N 409.467 1.721 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1854286978 LFTCSJAYIJVYCM-ZIAGYGMSSA-N 414.453 1.994 30 10 HDEE COC1CCN(C2CN([C@H]3CCCCN(C(=O)c4cccc(C#N)c4)C3=O)C2)CC1 1854309858 ZXYSOVCCCQJLKZ-NRFANRHFSA-N 410.518 1.875 30 10 HDEE N#CCC(=O)N1CCN(Cc2nnnn2-c2ccc(Cl)cc2)C2(CCCC2)C1=O 1854409423 CQLDPLVNHVNIGH-UHFFFAOYSA-N 413.869 1.713 30 10 HDEE COCC(=O)N1C[C@@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CCC1=O 1854427695 SEVQTFOPJMYPOD-GOSISDBHSA-N 400.479 1.456 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(Br)s3)C(=O)C2)C1 1855073319 YLQJFUWNXYBGBU-GFCCVEGCSA-N 411.325 1.783 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855476228 VPOXFZCBRRCJRE-HOTGVXAUSA-N 422.526 1.969 30 10 HDEE Cc1nn(C)c(C)c1CCN(C)[C@@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1855784292 YKRBRGZHJOHPRU-HXUWFJFHSA-N 408.506 1.999 30 10 HDEE COc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N(C)CCC#N)ccc32)cc1 1855960374 XTQUWWBRKZJXJS-UHFFFAOYSA-N 413.455 1.959 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C(=O)[C@@H]1C 1856261471 LXFNJGGDVNRZLI-HOTGVXAUSA-N 405.520 1.774 30 10 HDEE CN1C[C@H](CN2CCC([C@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)CC1=O 1856321479 VRUJYIMNZFROAO-QAPCUYQASA-N 409.490 1.132 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CC4(CCc5ccccc5O4)C3)C2=O)CC1=O 1856459263 JGXMSUUFBYYQTM-QZTJIDSGSA-N 409.486 1.228 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4cccnc4)C3=O)CC2)c1 1857010079 IOSKDBPZLXVBEL-IBGZPJMESA-N 405.458 1.880 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)C4CC=CC4)C3)CC2)CC1 1857127076 DYYUWBGMTGZFKZ-GOSISDBHSA-N 412.534 1.802 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871531416 BUPBPQRIWJPVOK-UHFFFAOYSA-N 415.498 1.115 30 10 HDEE Cn1cccc1/C=N/n1c(COc2cc(F)ccc2F)nnc1SCC(N)=O 1874261520 JVQDGZGYCOSSAE-ODCIPOBUSA-N 406.418 1.933 30 10 HDEE CC1(C[S@](C)(=O)=NS(=O)(=O)CC2(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 1877681180 DDLNFLSZBZEGNS-VWLOTQADSA-N 405.542 1.975 30 10 HDEE CCn1nc2c(c1C(=O)N1CCC(OCC#CCN3CCN(C)CC3)CC1)CCC2 1889261532 BKAROVTXRBXHBC-UHFFFAOYSA-N 413.566 1.264 30 10 HDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CC(COc4cccnc4C#N)C3)co2)no1 1891709288 WDMMCWGJKHZABS-UHFFFAOYSA-N 408.374 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CCn2ncc(C(=O)NCB3OC(C)(C)C(C)(C)O3)c2C1 1985101116 NZLXRVGEDVLEGT-UHFFFAOYSA-N 406.292 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2C(=O)C#CBr 2018433422 WUZZZWZFMIMOJD-INIZCTEOSA-N 400.273 1.070 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2118161830 DNZAEPUORQVVGA-MRXNPFEDSA-N 416.459 1.269 30 10 HDEE CN(Cc1sccc1C#CCO)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161935196 AFZIZFXYLOYDQD-UHFFFAOYSA-N 406.529 1.670 30 10 HDEE Cn1nnc2c1CCN(c1ncc(B3OC(C)(C)C(C)(C)O3)cc1Br)C2 2172777822 HVISFDMFVSEOAP-UHFFFAOYSA-N 420.120 1.835 30 10 HDEE CO[C@H]1CC[C@@H]1CS(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2239423271 QPKXXTBIWZKYTD-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE C[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247781031 HEMQNLGZJKNCRV-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE C[C@H](CN(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247840347 LQNKIJITKYIERX-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247914243 IDKQXZPOFCAEDX-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267376120 QZWMHVPUBSMDQE-PWSUYJOCSA-N 407.388 1.438 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCc2nncs2)OC1(C)C 2267472127 YDWZFOWKWZLONZ-UHFFFAOYSA-N 401.344 1.420 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@@H](C#N)CC1)NC(=O)OCc1ccccc1 2270532560 XLRNYMPJWGBIOJ-NVXWUHKLSA-N 423.491 1.410 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)nc2)C(F)(F)C1 2279115015 KESXAFPTGUBQRD-CYBMUJFWSA-N 402.423 1.876 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCC[C@H]1C1OCCO1 2281836308 ZHMSNZPFHCOEKW-INIZCTEOSA-N 403.284 1.972 30 10 HDEE Cc1nc(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282025430 OKVXRCVXDYOUPC-VHSXEESVSA-N 402.347 1.302 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H]1CCCN1 2282315934 VHZUMJGGWGZMKX-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](N(C)C)C1 2282321541 YGPYUEBFCWCNBU-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H]3C3OCCO3)cc2)OC1(C)C 2282331307 MAECACRUXUYLJQ-KRWDZBQOSA-N 423.340 1.902 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)Nc2ccnc(F)n2)OC1(C)C 2282413370 DBCNBJCHYJDVLK-UHFFFAOYSA-N 400.266 1.313 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(CO)C3)c(Cl)c2)OC1(C)C 2282491111 KDZUTCHBSLVDCO-UHFFFAOYSA-N 405.684 1.344 30 10 HDEE C[C@H](O)C1(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282494885 DTCPDLQZMZWQFT-NSHDSACASA-N 401.721 1.831 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282500131 IEHOWVXEHUSSRJ-ZJWNCGCPSA-N 401.359 1.172 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282513103 XRULCMPYKFOJHI-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H](CC1CNC1)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845305 QBUUFJWGCIJJFG-GFCCVEGCSA-N 400.375 1.465 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCC1 2282847772 DUUOMIJBQUOGLP-VWLOTQADSA-N 419.399 1.627 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@](C)(CO)C(F)(F)F)c2)OC1(C)C 2282858977 GIDHFSJHFREFSO-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE COCCSCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282867980 GWTJGVJJDLXBBA-UHFFFAOYSA-N 401.359 1.644 30 10 HDEE COC[C@H]1C[C@H]1NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282875849 VGHCZWACALOWOO-CHWSQXEVSA-N 401.359 1.977 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCO1 2282884020 IZQGIGHUJZEXPK-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE COc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1C#CCO 2339764982 PDMDFYDQBBRTJS-UHFFFAOYSA-N 414.439 1.077 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363698434 AUSPZUHEZHHKKV-LSDHHAIUSA-N 413.565 1.815 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365172170 VBFYBABVAQPYOU-NRTGNBEESA-N 400.541 1.148 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365192783 DMTRFUQOQWMRPF-OAHLLOKOSA-N 403.541 1.980 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1CCOCC1 2365206946 KFNOJDLSIWNBGH-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365210902 ZTEPLZKFBSKONZ-QMTMVMCOSA-N 400.541 1.285 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F 2367806350 JQMCTOBMQACUHB-MJBXVCDLSA-N 406.495 1.951 30 10 HDEE N#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(F)cc1F 111220431 SMEYYQODLFHSNJ-DLBZAZTESA-N 401.348 1.905 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@H]3CCCN(CCN)C3)C3CC3)nc2)OC1(C)C 204876196 XNIAJTYJXUEFFR-INIZCTEOSA-N 401.364 1.415 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 238963323 YSHXLHPUOVZRPH-NSHDSACASA-N 401.404 1.015 30 10 HDEE COc1cc(C)cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1C 427589303 XMMWMRLAMRBXSS-CQSZACIVSA-N 408.462 1.650 30 10 HDEE COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460758747 NJULTUKCHVXNRN-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1nnc2n1CCCCC2 464820155 DXLKAECRCSLYQN-CABCVRRESA-N 409.498 1.647 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ccc(C#N)cc2)cc1 473946335 SOCFTNNPFBWDJZ-GOSISDBHSA-N 419.466 1.700 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 483566975 MNYZQZKCUJLPML-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC3CC(N4CCCCC4)C3)n2)cc1 485017020 ABFABHSEDWLTDL-UHFFFAOYSA-N 407.478 1.270 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc2c(s1)C(=O)CCC2 487333236 CVQYARQMLLCWFX-SNVBAGLBSA-N 404.473 1.839 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 489199755 DOGXHILRGORVKS-IRFCIJBXSA-N 417.469 1.390 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 489215047 HPGNLHBDQSCNPX-FQEVSTJZSA-N 420.517 1.421 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 495204890 SGZKVTOYZAYWEB-UHFFFAOYSA-N 402.886 1.977 30 10 HDEE Cc1nc([C@@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C2CC2)no1 497557158 UCFBLZLYUUAXFC-ZMZPIMSZSA-N 403.464 1.358 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C#N 497892006 WZDHTIOCRIWVIM-WMZOPIPTSA-N 412.515 1.994 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1OCC(=O)NC1CC1 505039818 QJXTZHUNJGXSLD-UHFFFAOYSA-N 414.462 1.443 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 505644619 BKPLTZZYHTZHPC-INIZCTEOSA-N 419.489 1.919 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 508905772 AUTFESICNQDTKO-NRFANRHFSA-N 405.462 1.094 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(O)cc3)CC2)cc1 510337212 BSLWISSCLRDASO-UHFFFAOYSA-N 401.444 1.176 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 522673407 OUXMEBAKYASUPR-UHFFFAOYSA-N 424.478 1.705 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 524382289 VQCOIBSOTDQWQZ-CQSZACIVSA-N 415.475 1.766 30 10 HDEE C[C@@H](C#N)CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 532821584 VKAUQKFPJGCNDG-INIZCTEOSA-N 405.520 1.791 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 533579502 GPIPPEPPMGEHTO-UHFFFAOYSA-N 421.526 1.202 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCCC2)CC1 538588209 ZFFFFJPOINSXSL-UHFFFAOYSA-N 415.534 1.962 30 10 HDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 551572822 KWLZTIZMWHOOGY-UHFFFAOYSA-N 413.865 1.580 30 10 HDEE Cc1cc(C(=O)NC[C@H]2CCCCN2S(C)(=O)=O)nn1-c1cccc(C#N)c1 552716669 BYFCWJIJPUQONL-QGZVFWFLSA-N 401.492 1.596 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1cccc(O)c1 554931985 NHBZGNWCNHISHX-WMLDXEAASA-N 421.523 1.700 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(OC)cc1OC 561731010 TVGLMZOZYGREHI-GOSISDBHSA-N 404.444 1.909 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3ccc(C#N)cn3)C2)cc1 585245781 DOEFENMMTPNDLY-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE C=CCN(CCN1CCOCC1)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152063 VNKGVUCJZJAZPP-UHFFFAOYSA-N 423.535 1.331 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c(F)c1 586863804 AUQQZSLTRFQKRD-KRWDZBQOSA-N 414.824 1.889 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)c2ccccc2Br)C1=O 726043824 SAOLABDERWAIMQ-UHFFFAOYSA-N 409.192 1.152 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(CC)c1 727416166 IHMMMEHLVYFMIX-UHFFFAOYSA-N 405.479 1.860 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1[N+](=O)[O-] 732647898 MISROZNHMVQZST-PKOBYXMFSA-N 411.462 1.707 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCN1C1CC1 732697007 SZDSHCLTHPDVIW-HNNXBMFYSA-N 402.886 1.480 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(I)c2)CCN1C1CC1 732706009 BEEYFOCUEYDFSV-AWEZNQCLSA-N 424.242 1.428 30 10 HDEE COC(=O)/C(C)=C\COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 748164312 UAIJQDCJDIPCBO-ZROIWOOFSA-N 406.460 1.621 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CCN1C1CC1 751955949 XWFCXKFSIAOICE-NVXWUHKLSA-N 416.909 1.766 30 10 HDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(F)cc2)c1=O 755639626 JWRIMSGLAKMAJB-UHFFFAOYSA-N 407.474 1.923 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)[C@H](C#N)C1 757898245 NPSAXLUKLJIQKA-SNVBAGLBSA-N 402.454 1.790 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2)cn1 758534843 KFPZXBVXKDEQET-VYDXJSESSA-N 417.514 1.447 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)c1 763613675 FPJLHIXUDWTRRV-OAHLLOKOSA-N 424.482 1.127 30 10 HDEE CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 770683994 ISNIPYQISMYYQM-HNNXBMFYSA-N 424.592 1.814 30 10 HDEE Cc1ccsc1[C@H](CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771233545 WCMYNRYMCMEQEX-AWEZNQCLSA-N 407.517 1.725 30 10 HDEE C#CCN(Cc1nc(N)c2c(C)c(C(=O)OCC)sc2n1)[C@H]1CCS(=O)(=O)C1 772201547 QHOXEDIEYWJBDE-LBPRGKRZSA-N 422.532 1.381 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 773877340 PIULZNMYWGXUAW-UHFFFAOYSA-N 412.421 1.324 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774190628 CUCHHJQEFJFKLR-GOSISDBHSA-N 405.520 1.496 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)n1 790119079 LFBWKUMQCSQXHV-INIZCTEOSA-N 402.520 1.919 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)n1 798101605 FYZMUOCSSXOCHQ-MOPGFXCFSA-N 415.538 1.856 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)/C=C\c2ccccc2F)c1C#N 800045860 FSBFTQUWBJFSJO-LUAWRHEFSA-N 405.455 1.912 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 803521936 SIVXIQGEINOAMP-IBGZPJMESA-N 400.500 1.664 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 804718496 KJAQXRDWXARKMN-UHFFFAOYSA-N 404.488 1.559 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 852994919 CLRNYHVFSQPZDP-UHFFFAOYSA-N 400.527 1.157 30 10 HDEE Nn1c(NN=Cc2ccccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 1084050456 FMFUFJJMHFRXOS-UHFFFAOYSA-N 415.454 1.691 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)Cc1csc(N2CCCC2=O)n1 1130753339 DGDPARWIGAEPAG-UHFFFAOYSA-N 407.459 1.963 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)c(OC)c1 1135005728 GQBINNPWCUROGE-LBPRGKRZSA-N 411.418 1.294 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)NCCc2ccccc2)c1 1141679372 XSJFTQBHBKOIDM-UHFFFAOYSA-N 403.435 1.212 30 10 HDEE C[C@H](CN1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1144612686 GPQYDJGXIDXCKX-GDBMZVCRSA-N 403.914 1.317 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)c1 1156148479 SYKGHQKTYLXXRG-UHFFFAOYSA-N 404.492 1.562 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](N3CCCC3)C[C@@H]2C(C)C)c1 1159139366 IVIREIHKLRNDAL-AZUAARDMSA-N 403.548 1.933 30 10 HDEE C=CC[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1192895226 JOVZXRIUONEQBA-HNNXBMFYSA-N 400.522 1.294 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 1212415464 FFZLXYLEXPTMTL-UHFFFAOYSA-N 408.398 1.988 30 10 HDEE COc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)ccc1C#N 1227901690 NXZNEFBCYLEHRD-IAGOWNOFSA-N 406.508 1.759 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1230431782 ADTBTBMHBFXANZ-HNNXBMFYSA-N 405.524 1.108 30 10 HDEE Cc1noc(C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2)n1 1234081834 BUKLYRHDQQAJOC-FCEWJHQRSA-N 415.475 1.242 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc2c(s1)CCCC2 1286361108 LJRUOKZGRMQULP-ZDUSSCGKSA-N 422.580 1.536 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1286449731 FFGMWSDEYUDNCX-UHFFFAOYSA-N 404.584 1.687 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@H]2COCCO2)n1 1286469487 IIUOWJGWYCQZBM-SFHVURJKSA-N 402.499 1.300 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@H]1C 1286469667 LCBJMUKRPRGOAV-XWSJACJDSA-N 406.527 1.761 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286537728 CHGZWQQQDNZSCD-UHFFFAOYSA-N 411.348 1.711 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1286689024 WHVDNEDCLPEFCA-CQSZACIVSA-N 404.558 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C2CCOCC2)CC1 1286782620 AFUPDGHPVJDNJK-UHFFFAOYSA-N 414.510 1.450 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1286785659 IDKZTEWDCDJEKP-CALCHBBNSA-N 416.570 1.783 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1286788135 QNYZWOFVFRQTIC-RCCFBDPRSA-N 403.527 1.727 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(N)=O)nc2)C1 1286807942 ICIQZYOTFJJBBL-HNNXBMFYSA-N 406.450 1.059 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCO[C@@H]2CCOC2)C1 1286809382 RVKZCVOCWVAKIE-DLBZAZTESA-N 400.483 1.712 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2CCCC[C@H]2C1 1286820527 MVCNLTYOMBQRQI-ROUUACIJSA-N 423.583 1.795 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1c(C)nn(C)c1C 1291947115 AFSKFMXQBKYQNG-LGKHCZOZSA-N 400.523 1.809 30 10 HDEE N#CCOc1ccc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)cc1 1292736910 SNUOQKDEDSMABI-CQSZACIVSA-N 405.501 1.806 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCSCC1 1293100038 FYBMQEYKBIXYCZ-UHFFFAOYSA-N 412.567 1.483 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)c1 1299950939 FWOKISJUDOIRNU-QGZVFWFLSA-N 414.466 1.216 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1300308261 OBZCCFCEDOPIQE-BZSNNMDCSA-N 423.583 1.139 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC#C)CCOC 1300391449 NZRLZTIBGMZPJT-UHFFFAOYSA-N 400.504 1.848 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1300602208 ANQXYSITGLBTND-OAQYLSRUSA-N 415.494 1.801 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCC(=O)N1 1300657691 QABXZZFSMRVZSH-MRXNPFEDSA-N 413.478 1.327 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2OC)CC1 1300726875 SINBUHJWUIFFFV-LJQANCHMSA-N 423.517 1.805 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc(F)cc2)c2ncc[nH]2)c1 1300894941 LUVZSUAHYSSNLD-SFHVURJKSA-N 412.446 1.980 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1301294003 KFOHAOLAFIMEDT-OXQOHEQNSA-N 402.520 1.636 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1301422699 UTAHJYQHJDOTLM-VLIAUNLRSA-N 419.482 1.185 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301577838 OOJWSNNLAFLHLZ-IAGOWNOFSA-N 416.551 1.614 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302365647 VOBRZOSPBNCJDK-HNNXBMFYSA-N 401.902 1.941 30 10 HDEE CS(C)(=O)=NCC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1303883057 PFDBSGZMZRHONB-UHFFFAOYSA-N 415.512 1.703 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1305153549 DBDNAAAFNAZAAK-GASCZTMLSA-N 402.524 1.848 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2[C@@H](C)[C@H](C)N(C)C(=O)[C@H]2C)cc1 1310130490 DJFIGDYIOKJGBR-SOUVJXGZSA-N 408.524 1.965 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1316101726 OHSZRKCCNIXKDR-RBUKOAKNSA-N 418.542 1.797 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cccc(C#N)c2)C1 1349165142 KFHFBUGVXRVNLP-AUUYWEPGSA-N 405.476 1.778 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1354752009 NVYXXXMAXVAJAE-MRXNPFEDSA-N 401.488 1.414 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1358890779 VQZWCVKCJSXQOH-UHOSZYNNSA-N 416.547 1.896 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358955634 QBHFMIXVVGIFFE-OAHLLOKOSA-N 407.540 1.233 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](OC)C2CC2)CC1 1359047336 CBSKESCCTQATDM-QZTJIDSGSA-N 401.511 1.520 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359111055 MUXCLFRCQCUAME-ZPHPHTNESA-N 410.482 1.607 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359131628 ZSFOFUQVUKIXKD-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCS(=O)(=O)NC(C)C)CC1 1359173113 VQGKEZCERSFZHE-UHFFFAOYSA-N 412.560 1.147 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCS1 1359240076 FNLZBYOXDURXRA-ZIAGYGMSSA-N 401.558 1.129 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1359295238 VLELYLHLGJZURO-CEXWTWQISA-N 406.490 1.980 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NC2CCCCC2)C1 1359318597 IILOTSMFUZJWQE-SFHVURJKSA-N 413.526 1.909 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359661170 DYGBQJDTDPDBSX-FTRWYGJKSA-N 419.505 1.028 30 10 HDEE CC(=O)N1C[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)Oc2ccccc21 1437520111 BBIYLTXNAVCSDS-IBGZPJMESA-N 402.414 1.951 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3CSc3nc[nH]n3)C[C@H]1CS(=O)(=O)C2 1456613878 OYZWMGDQAPGYTJ-SUMWQHHRSA-N 403.489 1.107 30 10 HDEE COC[C@@]1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460566985 HSPAHAHQSGKFHO-PZJWPPBQSA-N 404.486 1.272 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(Cc3nc(-c4cccc(C)n4)no3)CC2)CC1 1460781782 YXNPIJXODOEWRG-UHFFFAOYSA-N 422.533 1.472 30 10 HDEE C#CCC1(NC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CCOCC1 1466204215 VBTDGYGNWLRFBX-UHFFFAOYSA-N 415.475 1.971 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](OCCOC)C2)s1 1467443811 YTZQNHPNIFSSJN-AWEZNQCLSA-N 402.538 1.409 30 10 HDEE CC(C)NS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)NO)cc2)ccc1F 1467528524 XKJHRUDHHIAFPQ-UHFFFAOYSA-N 409.439 1.561 30 10 HDEE CN(CCCn1cnc2c(N)ncnc21)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1469142619 CEPOFLBKOPFVMH-KRWDZBQOSA-N 404.478 1.798 30 10 HDEE C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1469911668 BVZGAONCZHMTTP-UHFFFAOYSA-N 404.895 1.012 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)COCCNC(=O)c3ccccc3)C2)nc1 1471983656 FMHMXUQWZQENPP-IBGZPJMESA-N 407.474 1.803 30 10 HDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C[C@H]1O 1473750625 DDMNCSGFADOPMD-GOSISDBHSA-N 416.478 1.612 30 10 HDEE CN(C)C(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1503367237 AYKJOFKAVMPLLS-INIZCTEOSA-N 402.886 1.729 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504482111 AJSQIBNHRGKXGV-LZICOFPGSA-N 423.477 1.482 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1507628244 VZKBTDJJNHNAGO-QFBILLFUSA-N 410.540 1.357 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1507635664 UMRVWWZQXGPUMB-MRXNPFEDSA-N 419.576 1.979 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1507661976 CEJYHVGADLIYHR-UHFFFAOYSA-N 422.445 1.175 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC 1507680356 FENWXTOQQNLMNX-UHFFFAOYSA-N 413.450 1.555 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)c1cc(C)oc1C 1507711090 NOGXGRSRPZKLPJ-UWJYYQICSA-N 402.495 1.986 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCOCC1 1507760377 ZLFDICDLYDYFCW-OAQYLSRUSA-N 400.527 1.229 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507832244 VMJAMEHOBFHZIH-OAHLLOKOSA-N 419.507 1.312 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1507941379 FJGIMZPVFSEGKK-OAHLLOKOSA-N 403.508 1.626 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1507980250 FVDPNQWJAXARQD-CBZJRKILSA-N 422.576 1.729 30 10 HDEE C=CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508068227 VJAXMJUMACAYSN-OAQYLSRUSA-N 409.494 1.709 30 10 HDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1508152995 FOGQNXFYROSZAH-QGZVFWFLSA-N 417.535 1.824 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1508168282 CNQBKCPAOJXSMD-XHSDSOJGSA-N 423.539 1.562 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(C)(=O)=O 1508423068 HWQDWTACIXLJAG-AWEZNQCLSA-N 400.508 1.991 30 10 HDEE CC(C)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509351252 JTNRUNNVQALDIY-VLGSPTGOSA-N 415.498 1.133 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCOC(C)C 1509684784 PHQJMTDICRCELV-GOSISDBHSA-N 417.558 1.798 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)CCOC1 1509808374 UBHRDUSCUIVEIN-MOPGFXCFSA-N 418.477 1.442 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1511991254 YBUMQICBUKGTNV-MGPQQGTHSA-N 406.512 1.884 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1516005895 AHYSMFNTEKQNKU-UHFFFAOYSA-N 419.493 1.450 30 10 HDEE CC(=O)N[C@@H](CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccc(Cl)cc1 1525459140 GGRKVQWJSSVXSY-INIZCTEOSA-N 416.869 1.977 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1533739975 YFAPOJFPXWYLAZ-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC4(CCOCC4)C3)CC2=O)cc1Cl 1535091930 CCGLJQHETLOZFZ-OAHLLOKOSA-N 403.866 1.973 30 10 HDEE COc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC2)cc1OC 1536179334 HSWXIMSKLSYEHL-KXBFYZLASA-N 404.488 1.522 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539203532 RRPUQECPHBWXAD-APWZRJJASA-N 422.576 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1539231056 OAESZKMCVRBFKR-UHFFFAOYSA-N 414.579 1.414 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1539368689 AYHGNURKIFXNMF-OXQOHEQNSA-N 420.535 1.757 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1539428550 SVYXTCVMCDREMR-QZTJIDSGSA-N 400.527 1.153 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N(CC)CC)nc2)CC1 1539461447 GEDXRULBXRWPKX-UHFFFAOYSA-N 411.554 1.859 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1539538512 JQHLWPNLRDAKDS-FRQCXROJSA-N 421.567 1.697 30 10 HDEE CCOCCOCCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728745 SNYVUXHNRJAOMN-UHFFFAOYSA-N 409.508 1.224 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC(C)C)CC1 1540870438 NIHQAEZSKLOWNJ-GOSISDBHSA-N 420.558 1.021 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1541115574 BLYZTVLCGXMRBL-NEPJUHHUSA-N 413.454 1.416 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1545545892 GQDUJEGUFWCBBJ-HUUCEWRRSA-N 411.514 1.257 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1545929275 VRMJDDVGCHJRGQ-IAGOWNOFSA-N 420.514 1.121 30 10 HDEE CCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1 1548269738 ZGFSEMWPUSNQNI-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE CN1CCC(CCO)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1556070398 XDICPGALFMEIOX-BQIYRTECSA-N 420.554 1.736 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 1556289250 SAFUICCTYIAZBJ-STQMWFEESA-N 405.417 1.820 30 10 HDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 1556538613 CABKPUWFFCIWNJ-IRXDYDNUSA-N 407.474 1.082 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@]3(C)CN(Cc4ccccc4)C[C@@]3(C)C2)C1=O 1557784902 CZGBIUPAQFLXBT-GOTSBHOMSA-N 424.501 1.334 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1564547645 STOPIPFDYVFOHN-WOJBJXKFSA-N 413.522 1.806 30 10 HDEE CN(Cc1ccccc1)C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1564774355 KWSBIEVGVGJGDJ-AZUAARDMSA-N 416.547 1.621 30 10 HDEE Cn1ccnc1[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1583654694 WOXUCKPLHNZLBW-NVXWUHKLSA-N 417.491 1.262 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3[S@@](=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585139204 SQHWYNWMGGSJDQ-YFCBFYPYSA-N 406.407 1.324 30 10 HDEE C#CC1(O)CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)CC1 1585305255 RKABTTMJBUUCKS-UHFFFAOYSA-N 403.523 1.890 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CSc2ccccc2O1 1586017313 WRRBFHOPCGACKS-LBPRGKRZSA-N 403.485 1.395 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1 1586078326 BLHGGNGUURLEBU-NRFANRHFSA-N 400.479 1.943 30 10 HDEE CCOC(=O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@H](O)c1cccnc1 1587181278 TXPVQOVMAQUPHR-PWIZWCRZSA-N 422.441 1.088 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1OC 1587457292 XGYYYTVQSNWZIB-IQIBNGDESA-N 410.492 1.050 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1587691453 WGZKGQWEUKZXFG-UHFFFAOYSA-N 420.395 1.590 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC(C)C)CC1 1587862026 SCZHZCKPLCQUMM-SFHVURJKSA-N 423.583 1.141 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1587915500 MHWZIPYOFRNUNU-FQEVSTJZSA-N 401.467 1.298 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1CC 1587975345 YHXHPECJKXCDSL-UHFFFAOYSA-N 409.494 1.982 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1588024752 KRHTWYAHCOHHBT-HZPDHXFCSA-N 409.556 1.302 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588073625 AYSQEMKKZJYZGI-DLBZAZTESA-N 422.551 1.452 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(F)c1)N(C)C 1588128723 QDONXZGSGPQEBS-OALUTQOASA-N 408.481 1.744 30 10 HDEE CCOC(=O)[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1588157484 ARVFQXLFQPKURQ-KRWDZBQOSA-N 407.492 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)ccc1OC 1588159436 WQMVKIXIOKXLNR-UHFFFAOYSA-N 407.474 1.539 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCC1CCOCC1 1588180745 JPIZSFDLKMSHRA-QGZVFWFLSA-N 421.567 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCN1CCCS1(=O)=O 1588198384 QWIZGPFLVDVFDW-UHFFFAOYSA-N 401.492 1.345 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)C1CCCCC1 1588559125 DJXRXDUDIILVGF-JOCHJYFZSA-N 417.554 1.931 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cn2ccc(C)cc2n1 1588629159 ZKZDTSVZJUIGNY-UHFFFAOYSA-N 404.478 1.769 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC[C@@H]1OC 1588673632 VFORCBXAUSYDLZ-WMZOPIPTSA-N 419.551 1.771 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC1 1588811401 IGBJBJRMGGSVCV-MRXNPFEDSA-N 419.576 1.354 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N(C)C 1589171605 LROHFISANIHLSQ-HXUWFJFHSA-N 417.535 1.837 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1593736063 WCMUJUKRAAVTLX-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1594807658 VMORMIWHVCJFHX-SFHVURJKSA-N 418.542 1.123 30 10 HDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@]1(OCC)CCOC1 1595452819 CTPQBAMNGQNXJB-LZJOCLMNSA-N 421.542 1.484 30 10 HDEE CSCC[C@H](C(=O)NCc1cncc(C#N)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1596855933 MLIVUKPVCGUAMR-YESZJQIVSA-N 400.504 1.866 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ncc(C3CCOCC3)s2)c1 1611334964 DZFNFFMPILLIDM-UHFFFAOYSA-N 406.489 1.826 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1615843083 KAWCZVGKOVCWQV-GUDVDZBRSA-N 403.575 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1616336876 SXLBZWBHCYIOKN-IDENBPMYSA-N 423.535 1.420 30 10 HDEE C#CCN1CCCN(C(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1618035873 SGLYMMPAEHXGAO-UHFFFAOYSA-N 404.511 1.700 30 10 HDEE CN(OC1CCCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1618370913 FDRIEJHJYOKHNA-HMWBCQRISA-N 416.482 1.619 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cccc(SCC#N)c1)CCS2(=O)=O 1618580858 IUJLFUQAJHAGEF-XAUUPUKJSA-N 422.528 1.931 30 10 HDEE CC[C@H]1CN(C(C)=O)[C@H](CC)CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1621195888 KPLDBUSQTSSHFF-CABCVRRESA-N 409.483 1.984 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCCOC3)C2)s1 1623813934 AOMFKIMCNQCTFO-QGZVFWFLSA-N 400.522 1.163 30 10 HDEE COc1c[nH]c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cc1=O 1624892861 QQVSWEMHBXNOBD-FXBPSFAMSA-N 404.448 1.449 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2(c3cccc(Br)c3)CC(=O)C2)CC1 1630034626 SYDNRAWJNDZJDT-UHFFFAOYSA-N 404.264 1.634 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(C(=O)NCCCO)CC1 1631504557 GFZMRLOTHXABAD-KRWDZBQOSA-N 424.542 1.701 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCN(CCC#N)CC1 1632348727 GAZLBJOAIMSOJX-SFHVURJKSA-N 424.592 1.453 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1635345294 AHCRORBWOBWBGY-UHFFFAOYSA-N 403.479 1.942 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1635446277 MIGMMALFNBAKLM-KGLIPLIRSA-N 413.462 1.718 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1636299759 PEIRZNANFIJOTQ-LSDHHAIUSA-N 404.529 1.508 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 1640219732 XVOVRVAFTLTLRC-RTWAWAEBSA-N 424.476 1.454 30 10 HDEE N#Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)cc1 1640400644 CATCIXRCSNHGGV-LJQANCHMSA-N 413.499 1.988 30 10 HDEE C#C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C1CCOCC1 1640925663 NRNVNKPNTBUCJD-INIZCTEOSA-N 414.321 1.909 30 10 HDEE C=C1CN(C(=O)c2cc(Br)cc(S(=O)(=O)N3CCOCC3)c2F)C1 1641274253 RBSSXJKCJLGRDJ-UHFFFAOYSA-N 419.272 1.621 30 10 HDEE CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C[C@H](O)c1cccc(C#N)c1 1647114156 BTRJYOBXDXGYRV-KRWDZBQOSA-N 410.430 1.643 30 10 HDEE CSc1ccc(CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1C#N 1649375499 GBNUIUCHVGRHIX-UHFFFAOYSA-N 415.500 1.751 30 10 HDEE COC(=O)[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654416316 IAZUIHTXHCUSFT-LLVKDONJSA-N 407.217 1.022 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1655732693 NSWWJWFWFITCRM-OTWHNJEPSA-N 424.519 1.535 30 10 HDEE N#C[C@]12CN(CCC(=O)Nc3ccccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1655770513 HKNLRWIDCFKJNB-BLLLJJGKSA-N 401.410 1.904 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(OCC#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655784307 SBZVVQFAQBSNMI-MSOLQXFVSA-N 421.519 1.807 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CC1 1659386527 HGMAHZRYLTZHGW-UHFFFAOYSA-N 407.492 1.518 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ncc(CC(=O)OCC)s2)n1 1662715827 NBQZBDZKADPEPB-UHFFFAOYSA-N 405.480 1.759 30 10 HDEE C=CCN(C(=O)Nc1ccc(O[C@H](C)C(=O)OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1663449470 RUHYWMIOYCFZEN-TZMCWYRMSA-N 414.455 1.973 30 10 HDEE CN(CCOCCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)OC(C)(C)C 1670461029 XNSGIZHBHUWDDK-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE N#Cc1ccc(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)nc1 1673351592 SDXSRZALSJNICW-UHFFFAOYSA-N 403.240 1.340 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1 1673398509 LPHITHMHUOCEGB-HNNXBMFYSA-N 420.495 1.784 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 1677532052 QGSUDZSFAKTANT-MRXNPFEDSA-N 407.417 1.953 30 10 HDEE C=CCCOCCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1679687513 ROSHPZSDRMNNPN-MRXNPFEDSA-N 412.531 1.642 30 10 HDEE CCOc1ccc2c(c1)[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CCO2 1681865592 DCTQNCUSLOSAGN-IYJAJMOOSA-N 405.476 1.489 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1)c1ccccc1 1683680577 FIOAWWAULLOPMU-HXUWFJFHSA-N 412.515 1.801 30 10 HDEE CC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(OC)c1OC 1684834320 LHBWJIGGXUEOJP-ZUEVXXBESA-N 407.492 1.735 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(C)(N3CCOCC3)CC2)[C@H](C#N)C1 1686056321 VYYSLQKSBXPESX-IAGOWNOFSA-N 421.542 1.642 30 10 HDEE C=CCOCCCNC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1687074682 OCTRRKXFEUOLFI-UHFFFAOYSA-N 401.451 1.577 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1689835146 GWDLEQOFKWOVCQ-MGPUTAFESA-N 418.519 1.612 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@H]1CCS(=O)(=O)C1 1689982848 VTLCXVAFQQRQBC-HIFRSBDPSA-N 419.576 1.843 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)(C)C 1690003823 ZCUDHJIZIJJYHT-JOCHJYFZSA-N 415.538 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@H]1C 1690096180 NPEWJJVXNVOSFV-YWZLYKJASA-N 415.450 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCC1 1690101354 XXPSWIAPEMDWJY-UHFFFAOYSA-N 401.467 1.397 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC2(O)CCC2)n1 1690107820 DMRTZMVJYATTSQ-UHFFFAOYSA-N 400.527 1.973 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CCC)CC2)CC1 1690112260 SUMCAKXBOBTXTJ-MRXNPFEDSA-N 408.572 1.224 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCc2cnn(C)c2)CC1 1690129435 XEWVPNZCWOTOTH-UHFFFAOYSA-N 404.522 1.385 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1690137638 FVTXQYDKOMLPNJ-HDICACEKSA-N 400.571 1.920 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1690188989 RWSOXMRIFJRABD-LPTQZCDUSA-N 410.478 1.457 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690228696 CYCYMFUPDKQITF-UONOGXRCSA-N 414.304 1.032 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1690238533 KOQSWUGZAWFUMP-WCVJEAGWSA-N 413.544 1.095 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@H]1CC 1690306569 XOPRBEIHPIQTTA-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690663437 WQEZNLRWLRVHTP-HZPDHXFCSA-N 413.434 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690724348 MXJUHCSPAAMTAN-NXHRZFHOSA-N 424.567 1.777 30 10 HDEE C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1nccs1 1692693664 HXJMBWUCRYCHOF-CHWSQXEVSA-N 423.568 1.888 30 10 HDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cnn1C 1692938453 BWWDRUWURQEQBJ-AWEZNQCLSA-N 404.478 1.574 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1693830898 UHXBUUZCTGTECJ-IWHJNQCMSA-N 400.483 1.372 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCOC 1696338597 YLHROQNFDDTYHA-MRXNPFEDSA-N 414.514 1.618 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1697973535 ZHFRYDJMSAUYCN-IBGZPJMESA-N 412.494 1.585 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1698447893 ONIUVSGXEAWBAY-GFMLWQLBSA-N 418.473 1.493 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705488548 CGZQYUFDTAOAFU-HNNXBMFYSA-N 410.503 1.786 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1 1705551097 GJZKWEBCBNXVJM-SFHVURJKSA-N 407.584 1.762 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705559888 GOTDBPYPBPVFOP-GOSISDBHSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(CO)c1 1705574539 GOHRYZIGVCFFAN-QHCPKHFHSA-N 408.502 1.932 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(C)(C)N1CCC(OC)CC1 1705580652 NQIORGMDTYFRPT-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2([S@@](C)=O)CC2)C1 1705926948 OFXUZVZIVXNXMC-JYRCXFKTSA-N 401.536 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705937417 SQHWPZJGZJEQAL-DNVCBOLYSA-N 410.540 1.216 30 10 HDEE C[C@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1706904245 FYGRTMGXKPFDLI-YJBOKZPZSA-N 410.478 1.231 30 10 HDEE Cc1nnc(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)s1 1707845790 YEBBVOKJBDEGHB-KRWDZBQOSA-N 401.475 1.913 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1712616124 UFAIVQGXOXHQAK-OALUTQOASA-N 424.505 1.727 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CCOC)c1 1722306531 BYTUOIRJJLWYPX-UHFFFAOYSA-N 404.474 1.967 30 10 HDEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722313361 VGEZWUCAJXZMDU-UHFFFAOYSA-N 422.533 1.922 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(NC(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1722363993 IYNRWPLWZAUSLY-QGZVFWFLSA-N 417.491 1.440 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722365816 PMYJRYFZAKJTRA-DZGCQCFKSA-N 422.580 1.821 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(OC)CCOC1 1722425859 OOXPESXEAWBNJT-LJQANCHMSA-N 405.524 1.525 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(S(C)(=O)=O)CC1 1722525597 DYJJVLBXRRKMQC-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(=O)(=O)NC)CC1 1722561597 UKPGNCGHWYBJMJ-UHFFFAOYSA-N 406.468 1.559 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722604235 WNRFZLHCQCVSBJ-CVEARBPZSA-N 410.540 1.926 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)OC(C)(C)C1 1722725507 MSEUUPUCWZUWKO-HNNXBMFYSA-N 407.540 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722731747 QOFPQIRFOCWJRD-VQIMIIECSA-N 412.556 1.908 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1723691905 MEEDGDRXYPHACD-LAUBAEHRSA-N 419.526 1.864 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCC2)CCOC1 1723694823 WVKGAKMHTCVRPV-UZLBHIALSA-N 405.499 1.353 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1723770638 BVGHIXQIGDHYSH-DOTOQJQBSA-N 409.494 1.674 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCOCCS(C)(=O)=O)n1 1724472562 FZQWXMYJXIDZNY-HNNXBMFYSA-N 406.512 1.448 30 10 HDEE CCN(CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1728419181 KOEOUWCATAQBTM-FQEVSTJZSA-N 421.521 1.314 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1729706868 QRPUCGJIOPKILH-GCJKJVERSA-N 424.505 1.727 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C2CCC1(C)CC2 1729739749 RBAVRCRUBNGUIN-UHFFFAOYSA-N 400.508 1.887 30 10 HDEE COCCN(CCC#N)c1nnc(C2CC2)n1C[C@@]1(N2CCOCC2)CCSC1 1730762365 FFDJRXPKMRECMQ-FQEVSTJZSA-N 420.583 1.730 30 10 HDEE CO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730976526 QXFWRBQJMQKOLJ-DVSFIDLUSA-N 423.477 1.015 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)CCO1 1731186813 GYUPUSWCGXWQHF-OAHLLOKOSA-N 415.523 1.094 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CCO1 1731190691 SPJFYSBLFNUJRY-CABCVRRESA-N 404.858 1.528 30 10 HDEE C#CCCCCCC(=O)N1CC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@@H]2C1 1740038987 LOLLOGQHMKBJAY-QXQWVWGKSA-N 402.535 1.929 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1740539481 SXFOHGULJWJIMM-CNNODRBYSA-N 419.570 1.745 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@H]1CCOC1 1740605053 LURKWLMOYGOLBN-QGZVFWFLSA-N 422.493 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H]1OC 1740634780 IHEFDOCWHGJNRG-QUCCMNQESA-N 416.489 1.809 30 10 HDEE C=C(C)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740785130 LCVZXLBBRLOVDH-IBGZPJMESA-N 412.556 1.908 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740887272 FXTPPXDJBJULQP-PMACEKPBSA-N 419.570 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCNC(=O)[C@H]1CC 1740954708 FFQYHBNSSNEFLE-QGZVFWFLSA-N 419.489 1.510 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1741123490 DFMQLYPDIRGFNN-HZPDHXFCSA-N 419.493 1.980 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOCC1CC1 1741919355 BJJOOQKGZLPTEW-HNNXBMFYSA-N 424.571 1.835 30 10 HDEE CN(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1747558311 GOAVDDCXBOPPRC-MSOLQXFVSA-N 407.478 1.889 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1cccc(F)c1 1748766618 SYDBVJPEBKMTLH-ZBFHGGJFSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748805491 SMXBWNVZNFLGGT-VSZNYVQBSA-N 424.567 1.846 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748814617 HMVBPCXLGOEBHY-FUHIMQAGSA-N 424.567 1.206 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749401702 CLFCICYZPJNOLK-SJORKVTESA-N 421.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](COC)C1 1749680825 SERLGMVFQUTNIF-HNNXBMFYSA-N 403.458 1.771 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](CCC)OC)C1 1749713730 XILCJFOCBACVOG-IXDOHACOSA-N 412.556 1.777 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)CCOCC2)C1 1749717813 PRROVSXYFLSPST-KRWDZBQOSA-N 403.527 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749724504 KCCYKOZWCNZJMV-DZGCQCFKSA-N 422.463 1.561 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1749729451 KAJNZFZKDGXRSU-INIZCTEOSA-N 421.498 1.400 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749756585 ZRPMEJYHMAQUSR-ZBFHGGJFSA-N 406.556 1.742 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1750031290 XWRKMYDLRQJMLO-UHFFFAOYSA-N 407.478 1.154 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC(N)=O)CC2)o1 1750382716 JNSONSBAIWNCET-UHFFFAOYSA-N 411.466 1.005 30 10 HDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750718480 AYYXWOKWMSYPOM-PSEQUABUSA-N 402.499 1.617 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCCO1 1752311730 FFPJHYKRAPDYTC-MRXNPFEDSA-N 422.493 1.606 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CC1(C(N)=O)CCOCC1 1760178132 BEISWVOWRIZYQP-UHFFFAOYSA-N 411.506 1.771 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760181750 BBLPWERLSJTMFN-KZNAEPCWSA-N 407.584 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1760202074 RVYHTCJOAWFSHX-UHFFFAOYSA-N 414.469 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(C)CCCO2)CC1 1760267926 GUXQCZIZYQCKAN-QFIPXVFZSA-N 408.506 1.875 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760313120 JTCVNXYZFQOIHI-JZXOWHBKSA-N 416.526 1.162 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1760322493 TYNLPXZSVAAKGL-FXAWDEMLSA-N 405.543 1.753 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1760400770 NBRGUYNJWIFSKA-QGZVFWFLSA-N 413.526 1.576 30 10 HDEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760433975 XPFBNRWCFOWMEU-GOSISDBHSA-N 404.559 1.739 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1)C1CC1 1760470418 QWYOUHBDBRMXTB-CYBMUJFWSA-N 406.512 1.495 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CCn1cccn1 1760555263 AXDGAKFYGJSDIZ-INIZCTEOSA-N 408.528 1.453 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760564631 DBENVZFGMIUXQI-SOUVJXGZSA-N 404.540 1.396 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1761361048 ZQFLQIVFRPGEHZ-STQMWFEESA-N 420.495 1.179 30 10 HDEE CC[C@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1761948238 FWFBWBFQDVCHSQ-HFUDNHEJSA-N 417.514 1.425 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1766690064 QNVGYUFDSFDKRR-QZTJIDSGSA-N 406.531 1.607 30 10 HDEE CCN(CC)CC#CCNC(=O)c1cccc(S(=O)(=O)N2CCSCC2)c1 1851664152 UGSSLRKPHVYGEU-UHFFFAOYSA-N 409.577 1.499 30 10 HDEE CS(=O)(=O)N1CCN(c2cccc(OCC(=O)Nc3ccc(C#N)cc3)c2)CC1 1851896992 GYMYSJSCTWBTKS-UHFFFAOYSA-N 414.487 1.657 30 10 HDEE CN1C=N[C@@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)C1 1851903294 VNNGGXBWFSQVDG-LLVKDONJSA-N 406.187 1.387 30 10 HDEE CC(=O)N1CCN(CC(=O)N(C(=S)N=CN(C)C)c2ccc(Cl)cc2)CC1 1852574401 XSTYIVXSCVCSSF-UHFFFAOYSA-N 409.943 1.712 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccccc2C)CC1 1853536379 AHFJACWMZKUTTJ-UHFFFAOYSA-N 420.579 1.949 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc(OCC)cc2)C1=O 1853789716 MWEOQSARAJKZEC-WOJBJXKFSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccn3ccnc23)C1=O 1854140548 QNTVLPZEHBIPNM-MSOLQXFVSA-N 409.490 1.574 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC 1854401333 OMZQEUAPNHECFX-KRWDZBQOSA-N 419.503 1.310 30 10 HDEE CCc1cc(CN2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)on1 1854439305 KMSDLIRWDJTZIY-IBGZPJMESA-N 407.474 1.668 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3ccccn3)C2=O)CC1 1854744619 WVBLDAIZYWRTQX-IBGZPJMESA-N 404.474 1.692 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2=O)CC1 1855102693 IRTRLVFVYQWCEI-QGZVFWFLSA-N 411.462 1.102 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855476229 VPOXFZCBRRCJRE-HZPDHXFCSA-N 422.526 1.969 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3cncc(Cl)c3)C2)CC1 1855914828 CCGAOGRPSQCBCY-OAHLLOKOSA-N 424.892 1.813 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1856212330 VJNNBWNGYQTVBH-KRWDZBQOSA-N 411.568 1.750 30 10 HDEE C[C@@H](C(=O)N1CCN(CCC#N)C2(CCCC2)C1=O)n1nnc2ccccc2c1=O 1856639065 HBWOLACQZPVLEF-HNNXBMFYSA-N 408.462 1.250 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1=O 1856696025 SGTFWNIQIFXKFQ-KRWDZBQOSA-N 405.520 1.395 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3c(OC)nc(C)c(C)c3C)C(=O)C2)C1 1856827910 IVSPSSPYZYRJLF-SFHVURJKSA-N 400.523 1.950 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2snnc2CC)C1)[C@@H]1CCN(C)C1=O 1857068651 PVECJAAAPMUYJU-DZGCQCFKSA-N 405.524 1.198 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112262 VBQSDKVINXZVAM-HNAYVOBHSA-N 406.442 1.611 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)COc3ccc(Cl)cc3)C(=O)C2)C1 1857144647 LINXQIIXPASVJQ-QGZVFWFLSA-N 404.898 1.768 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nc(C(C)C)no3)C(C)(C)C2=O)CC1=O 1857170047 TYRPMVMXAGJANZ-CQSZACIVSA-N 403.483 1.177 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)c3)C2=O)CC1 1857305382 GEBZPDKOZHPNOC-FQEVSTJZSA-N 404.470 1.873 30 10 HDEE C=CCN1C(=O)C(NCCc2ccc(S(N)(=O)=O)cc2)=C(c2cccs2)C1=O 1863808043 HBNLALAJGXZBKF-UHFFFAOYSA-N 417.512 1.494 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868794219 ABLRXHRJWHSBIA-IAGOWNOFSA-N 404.536 1.778 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCN(CC)CC)cn1CC 1870535099 GQSWJXQOQOOSPP-UHFFFAOYSA-N 404.555 1.879 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1/N=C/c1ccc[nH]1 1874431394 QZTLALDKWJMKDJ-LSFURLLWSA-N 415.454 1.994 30 10 HDEE CCn1cc(C(=O)N2CC(Oc3cccnc3C#N)C2)c(=O)c2cc3c(cc21)OCO3 1891919274 IYFOMPUFCDOTBN-UHFFFAOYSA-N 418.409 1.920 30 10 HDEE C[C@@H](C#N)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089783877 BWLPSMKIKHISSA-INIZCTEOSA-N 418.519 1.312 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 2118164472 YVNDTWXOELNKIJ-QWHCGFSZSA-N 401.510 1.922 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)cc1C#N 2174787014 PMAKVYZATRADMO-LBPRGKRZSA-N 408.402 1.996 30 10 HDEE C#CCN(C(=O)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180132770 HVOSYDHOIQCBBL-CABCVRRESA-N 400.497 1.645 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243381109 IIHGTGGOCKOHFJ-OAHLLOKOSA-N 407.320 1.289 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 2247916126 QLDYXWQADZSRFL-CYBMUJFWSA-N 424.303 1.503 30 10 HDEE Cc1nc(NC(=O)[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248420587 XCBPMORZZMROGD-OCCSQVGLSA-N 418.303 1.936 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4CN(Cc5ccccc5)C[C@@H]4C3)[nH]n2)OC1(C)C 2255829194 KRYFVWHFHUXVOS-QZTJIDSGSA-N 422.338 1.913 30 10 HDEE C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258156597 LKHZHYCRYSUTAP-NVXWUHKLSA-N 410.492 1.682 30 10 HDEE C#CC[C@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258181452 NWOQZWHLDFDGGS-IRXDYDNUSA-N 408.476 1.574 30 10 HDEE COc1nnc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 2267419384 PUOPBRBCSVWQHZ-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CCNCC3)cc2Cl)OC1(C)C 2267705802 MLAOSUALZPZDOY-UHFFFAOYSA-N 406.766 1.731 30 10 HDEE Cc1ccc(C#N)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270540414 OAVWZHVSJJXPSQ-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)C[C@@H]3CO)c2Cl)OC1(C)C 2281936267 LCAHAKPZZVFOEM-GHMZBOCLSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CNCC34CC4)cc2Cl)OC1(C)C 2282304042 FEQPYLFTZJQODH-NSHDSACASA-N 418.777 1.731 30 10 HDEE Cc1cc(S(=O)(=O)NC2CN(C(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305925 GCODCXAHFLXHQG-UHFFFAOYSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@](C)(O)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282307961 KNRKYIYBMJYXCK-OAHLLOKOSA-N 411.301 1.650 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)CC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282326380 RPLLRUSGFXRSQM-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCN3CCSCC3)c2)OC1(C)C 2282349447 YXKZRMAPDUEHAT-UHFFFAOYSA-N 418.415 1.374 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]3CN)c(Cl)c2)OC1(C)C 2282415328 GNLMFVBFGNYUDP-RYUDHWBXSA-N 400.737 1.512 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCN3)c(Cl)c2)OC1(C)C 2282491554 NZZWDFIWFSQANQ-ZDUSSCGKSA-N 400.737 1.670 30 10 HDEE CON1CC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282498867 KOOKVNDUXAXLIK-CYBMUJFWSA-N 402.347 1.102 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505451 DNSZEEGHCFKWHI-VWLOTQADSA-N 422.403 1.020 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@@H](N)[C@H](O)C3)sc2Cl)OC1(C)C 2282612495 UBDLTBIXNDOWCH-YUSALJHKSA-N 400.737 1.529 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](O)C1 2282825134 HGWABEBYXCJXAN-WCQYABFASA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3N)c(Cl)c2)OC1(C)C 2282844288 BABWVXXQJWQVEG-UONOGXRCSA-N 400.737 1.797 30 10 HDEE C[C@H]1C[C@H](O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876584 GAOPJDWKWZDVOH-JSGCOSHPSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2283064495 WFRPPIGNLUPIKG-UHFFFAOYSA-N 401.272 1.145 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCOCCC(=O)O)sc2Cl)OC1(C)C 2284446384 WSLLXGCKSAAKTM-UHFFFAOYSA-N 403.693 1.922 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2367807349 SIBBEYFQBGCNHE-OAGGEKHMSA-N 400.541 1.163 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2367807569 VBJQFXJJUFLXLS-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367809828 QWPYIZXHCJTOLB-ARFHVFGLSA-N 400.541 1.163 30 10 HDEE C[C@@H]1[C@@H](C)[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CCN1C(=O)OC(C)(C)C 2370674604 UCIIMDPWVXHABD-PJIJBLCYSA-N 401.525 1.779 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2372806994 IMWZZLLOEWVNJW-QWQRMKEZSA-N 402.513 1.514 30 10 HDEE Cn1c(Sc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C#N)c(=O)n(C)c1=O 14268715 FDBWEUNNEWJHDC-UHFFFAOYSA-N 416.772 1.822 30 10 HDEE COc1ccc(CN/C(N)=N/S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 20857167 YHSVENPRAWOFDN-UHFFFAOYSA-N 408.436 1.714 30 10 HDEE C[C@]12C[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)C[C@]1(O)C[C@H](C1=CC(=O)OC1)C2 40180581 IQNBKMSBJXGCDH-NNLMOMBPSA-N 404.503 1.898 30 10 HDEE C[C@@](O)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)OCO2 90595347 AKWCFWCUKDHFAF-LJQANCHMSA-N 401.806 1.903 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3ccccn3)s2)CC1 302158968 OCMKJGQZYVDMLE-UHFFFAOYSA-N 412.500 1.983 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNCc1cn(CCC#N)nc1-c1ccncc1 433314332 AEKYFZBDUXVWQK-HXUWFJFHSA-N 409.538 1.891 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)sc2C1 434949468 CTUFAUBWJORBAD-CYBMUJFWSA-N 410.503 1.822 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)CCCS(=O)(=O)N2CCC(C)(C#N)CC2)CC1 443048504 OAKFIBYEGQRNCH-UHFFFAOYSA-N 416.569 1.287 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCC2CCC(C#N)CC2)c(C(=O)OC)s1 443228688 WDHIIUBBPSFLRP-UHFFFAOYSA-N 400.478 1.930 30 10 HDEE CN1CCC[C@@H](CNC(=O)C(=O)Nc2ccn(CCC#N)n2)[C@H]1c1cccs1 444666681 RJRJBVYHUXPCMG-YOEHRIQHSA-N 400.508 1.996 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCCc3c2cccc3S(N)(=O)=O)c(F)c1 466274902 RFOZWSDDOGHEAF-UHFFFAOYSA-N 413.427 1.625 30 10 HDEE CCN(CC)CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481244849 CSZCZOUEQMVJDO-MRXNPFEDSA-N 406.552 1.805 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C#N 489687814 ZGGVSIGKALIGTG-QUCCMNQESA-N 400.504 1.423 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505008757 JMIKZUWJJSBBPX-UHFFFAOYSA-N 408.480 1.036 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)CC1 505018617 MKMXNJAHKJASLW-UHFFFAOYSA-N 400.504 1.966 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506206461 CWVPBIPFHUMKKX-KSFYIVLOSA-N 420.554 1.840 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC[C@H](S(=O)(=O)N(C)C)C1 511137116 CRXCLPFMBPYDJY-IRXDYDNUSA-N 422.551 1.686 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514645647 LLNVUTARUPADNT-OAHLLOKOSA-N 415.490 1.256 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2cccc(C#N)c2)CC1 520832487 KVJBELZPHYMVNA-MRXNPFEDSA-N 404.536 1.453 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2csc(Br)c2)CC1 522319872 UGAXHHUEAJGQCL-UHFFFAOYSA-N 401.330 1.640 30 10 HDEE COCCNC(=O)Cn1cc(NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)cn1 525605302 CKEBMJNBUAWFJA-UHFFFAOYSA-N 420.429 1.957 30 10 HDEE N#CCC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 541039614 SMZKQZYSSRZKFW-QGZVFWFLSA-N 419.503 1.730 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C1CC1 541290456 JJXYJDAZRXLWLT-UHFFFAOYSA-N 423.523 1.274 30 10 HDEE CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 546213100 LSSPXVIYYJRKGB-LJQANCHMSA-N 421.501 1.764 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC)CC1 555063008 OIZDIGMBIVHYFW-UHFFFAOYSA-N 420.521 1.575 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2c(C)cc(Br)cc2C)C1=O 557251884 NNWFRTRXBCVLDX-INIZCTEOSA-N 422.323 1.927 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C[C@@H](C)O2 570865054 NHQYUSCXOORTAK-SPYBWZPUSA-N 407.492 1.022 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)[C@@H](C)CC)c2)CC1 604177633 ZTQYSDXVFSVAIX-KRWDZBQOSA-N 415.538 1.801 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)ccc1Cl 609561483 CHKHKFOBKWGJLW-ZDUSSCGKSA-N 404.879 1.868 30 10 HDEE C[C@@H](C#N)CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CC1 611091469 GBOCCYCOSQGSEN-HNNXBMFYSA-N 406.508 1.270 30 10 HDEE C#CCN(C[C@H](NCCC)C1CCN(S(C)(=O)=O)CC1)C(=O)OC(C)(C)C 701682143 PUCBPSWVAAUTTK-KRWDZBQOSA-N 401.573 1.897 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730144311 ZPDXJBIUNFVGGF-QGZVFWFLSA-N 406.552 1.949 30 10 HDEE C#CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@H]1CCS(=O)(=O)C1 731212648 HIRRUBNUKGVFIB-SFHVURJKSA-N 409.939 1.111 30 10 HDEE CCOc1cc2c(cc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)O[C@H](C)C2 732442972 CPCIDTVAFMHIMZ-YSGBTYPNSA-N 414.462 1.734 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCC(=O)N1CCOc2ccccc21 734292005 ZHGBMDVGUHRZPA-UHFFFAOYSA-N 413.455 1.877 30 10 HDEE C[S@@](=O)Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl 734693487 NIFPVBDVGVOGJB-KUNJGFBQSA-N 408.911 1.356 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)[C@@H](Oc1ccccc1C#N)C(C)C 735771148 KQBWYMVVZPVVHB-WBVHZDCISA-N 423.491 1.350 30 10 HDEE CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 741430554 HCSMYRDGHPWLHQ-SFHVURJKSA-N 420.535 1.972 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 743220995 KQMMSUQGEJAAQK-RDTXWAMCSA-N 413.478 1.572 30 10 HDEE C=CCn1c(C2CC2)nn(CN2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c1=S 747832955 QHVLMOKBUXDAPF-AJNGGQMLSA-N 406.508 1.860 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 748775444 TUWOMHUFIRIUAR-INIZCTEOSA-N 419.547 1.611 30 10 HDEE Cn1nc(CC(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c2ccccc2c1=O 751632059 KAVWPXJYPWSTQY-MRXNPFEDSA-N 408.439 1.758 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757596215 VDMDAOUDYGPGJN-BYNSBNAKSA-N 410.540 1.809 30 10 HDEE N#Cc1cccc([C@H]2CN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CCO2)c1 761757618 ADLVFBWUUGJVBZ-LJQANCHMSA-N 424.526 1.978 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cncs2)c(=O)n1CCc1cccnc1 767891321 NWLFYQQYNVFGME-UHFFFAOYSA-N 422.535 1.876 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(C(C)(C)C)n1 769643900 XUKLONIGTLPLFQ-UHFFFAOYSA-N 414.494 1.828 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)nn2CCC#N)C1=O 771297084 PPELUOJMTFUJKQ-OAQYLSRUSA-N 424.461 1.828 30 10 HDEE C=CCS(=O)(=O)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 772709923 HVYSRULXMLRWRA-UHFFFAOYSA-N 403.254 1.197 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 773966839 IMAGQYYSSJTIBS-KBPBESRZSA-N 422.507 1.098 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]2(C1)OCc1ccccc12 774108798 DVAMPJHDWSCIAR-NRFANRHFSA-N 411.483 1.773 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 776194627 ABYJYRZJBOPNTR-ZWKOTPCHSA-N 404.467 1.481 30 10 HDEE Cc1ccccc1CN1CCN(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780205255 LHBGGTOWJSVESR-QFIPXVFZSA-N 407.470 1.788 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 783689290 FUTPYPRMOLISQU-UHFFFAOYSA-N 406.487 1.281 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCCn2ccnn2)C1=O 784124887 CFRMLJXHKKGLML-HNNXBMFYSA-N 420.470 1.584 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2=O)n1 788330815 IPRIHOWCPGNXBT-HXUWFJFHSA-N 410.474 1.696 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)n1 789324632 QITNMIITMVVPMF-PKOBYXMFSA-N 412.490 1.309 30 10 HDEE COC(=O)c1cccc(CS(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c1 789575313 ISISGEYTGUCOJU-CYBMUJFWSA-N 402.428 1.758 30 10 HDEE Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 804161480 HZBUZSVUXPKOEX-IBGZPJMESA-N 408.433 1.934 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 806372977 ZNEPVCOAZUHVJI-QGZVFWFLSA-N 401.488 1.649 30 10 HDEE C#CCN(C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F)[C@@H]1CCS(=O)(=O)C1 810343468 YQBLWKPMROQSIR-GFCCVEGCSA-N 415.418 1.084 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N 813682381 YTODJCZNKWHFQC-BBRMVZONSA-N 410.496 1.564 30 10 HDEE CC(CCc1ccc(OCc2cccc(C(=O)O)c2)cc1)=NNC1=NC(=O)C(=O)N1 814890645 ZQKKXLILVJGGHP-UHFFFAOYSA-N 408.414 1.874 30 10 HDEE N#Cc1cccc(-c2cnc(CNC(=O)c3cn(CCO)nc3C3CCOCC3)[nH]2)c1 856666280 PDTNWMCXVNFHGA-UHFFFAOYSA-N 420.473 1.961 30 10 HDEE CCOC(=O)CCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 917702540 UBKJEJGAECLZBL-OAHLLOKOSA-N 402.476 1.969 30 10 HDEE O=C(c1ccccc1)N1C[C@H](C/N=C2/NS(=O)(=O)c3ccccc32)N2CC[C@H]1C2 1116482840 MBUBFUDXDUKWGK-IRXDYDNUSA-N 410.499 1.324 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1128537516 AREVCJIBPDSOFQ-HUUCEWRRSA-N 401.525 1.621 30 10 HDEE C#CCN(C(=O)c1ccc2c(=O)n(C)c(=O)n(C)c2n1)[C@@H]1CCCc2ccccc21 1134311663 XDKCVYPHPHFRIH-LJQANCHMSA-N 402.454 1.785 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H](C#N)CCc2ccccc2)CC1 1136342140 GAEHVMSJQBBVML-SFHVURJKSA-N 414.506 1.954 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N(CCN(C)C)Cc3cccc(C#N)c3)cc2=O)n1 1142751025 DWNOHOOOKCPCEL-UHFFFAOYSA-N 419.489 1.648 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)CNC(=O)c1ccc(C#N)cc1 1148020532 HFINVIFDZGRVAO-MRXNPFEDSA-N 415.475 1.100 30 10 HDEE COC(=O)[C@@H](Cn1cncn1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 1157278810 LGZCWESIATVXLM-LJQANCHMSA-N 405.414 1.700 30 10 HDEE Cn1cc([C@H]2CSCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1157425171 UUZHAJPHGAOYTE-OAHLLOKOSA-N 419.532 1.165 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1170903554 BFTYYHGHECJKRI-DAXOMENPSA-N 402.520 1.805 30 10 HDEE Cc1ccc(N2C(=O)C(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)c1 1188598927 HISPTFLONPOKFJ-UHFFFAOYSA-N 415.405 1.898 30 10 HDEE CC(=O)Nc1ncc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)s1 1191951725 COMVWGNHIUWBSQ-UHFFFAOYSA-N 419.532 1.916 30 10 HDEE C=CCOCCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1231088033 LAYVFBFLICKFAT-UHFFFAOYSA-N 411.524 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)C1 1233850319 BSTXLZKWEWCLCM-GVDBMIGSSA-N 419.526 1.932 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1 1233850747 DCKFNPMBGRJPHK-RCCFBDPRSA-N 421.542 1.642 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1233927720 IYMQXDNJGMTDGY-FAPUVCABSA-N 423.510 1.513 30 10 HDEE C=CC[C@H]1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1251731568 JLCHVGQDFVVAFY-AWEZNQCLSA-N 407.492 1.438 30 10 HDEE C#CCCCn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286359945 NMFKZJAISRPWFQ-NRFANRHFSA-N 403.527 1.826 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286525027 HVLDXVMMSYXWKI-RQXXJAGISA-N 414.554 1.721 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1286711547 MMPMFNYZFCUVMJ-SJORKVTESA-N 411.572 1.303 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1286726434 FEOJOTASHZVNGW-KRWDZBQOSA-N 420.539 1.179 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1286825197 NKKDXOANXQJYMD-INIZCTEOSA-N 420.583 1.928 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1286918385 NISZAINGJJMSAP-FQEVSTJZSA-N 424.505 1.727 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 1298587038 XKXKYEMSSIKPEG-HNNXBMFYSA-N 412.471 1.701 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1300371235 AUZFYGIFUBFHDR-HNNXBMFYSA-N 414.535 1.775 30 10 HDEE C#CCCCCn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300375684 AGEWPVQXDVBNAG-RXVVDRJESA-N 406.527 1.974 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1300603353 PPMSIRGWRAANHT-IBGZPJMESA-N 410.540 1.355 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1300618443 FPTOUYXLOBTDRJ-IBGZPJMESA-N 419.533 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCC(=O)Nc1ccccc1 1300664035 LAGLOTUNDRBEFU-UHFFFAOYSA-N 405.462 1.850 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1C 1300676400 ORPRFNIVHCELMI-NVXWUHKLSA-N 401.515 1.460 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC(=O)NC(C)C)CC1 1300705822 CYXNPYOJUWJGCX-UHFFFAOYSA-N 424.549 1.570 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)C1 1300888005 HENRFZPYAOTNPO-UWJYYQICSA-N 411.506 1.795 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301001789 NIQLIVKSIIEIRN-DWRORGKVSA-N 419.526 1.310 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)c2C1 1301183145 UHTVQPQBQORZEK-MRXNPFEDSA-N 406.490 1.868 30 10 HDEE COCc1nc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cs1 1301211163 BBWJVPYXADKYLC-MRXNPFEDSA-N 411.491 1.644 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)c1ccccc1Br 1301292516 YFLPSJDDXHQLEG-RISCZKNCSA-N 401.326 1.964 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1301514184 GEUCVUPLEVCNNN-INIZCTEOSA-N 412.494 1.169 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1301561639 PLQVAXNXGMGNEA-UHFFFAOYSA-N 408.462 1.614 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C)n(C)c1=O 1301969700 OEXQJGGUGBCSFN-CVEARBPZSA-N 402.499 1.796 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N(C)C 1301978002 SWDJIIWCXAEZJK-HNNXBMFYSA-N 400.483 1.598 30 10 HDEE C[C@H]1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1304931498 CXZJUDHSOLEKBR-YVSFHVDLSA-N 402.499 1.446 30 10 HDEE CN(CCOC(C)(C)C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314877411 LFSCFZRFKYUBMJ-FBMGVBCBSA-N 402.499 1.933 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(Oc2cncc(Cl)n2)CC1 1320595067 GJORWXGRIRXQOG-ISLYRVAYSA-N 405.842 1.416 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1358889682 FNKZXSPGQFVAQK-SJLPKXTDSA-N 402.520 1.855 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2nncn2C)c1 1358903964 PGTGOZODJRMPCZ-QGZVFWFLSA-N 420.477 1.363 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1359027953 BMDSDFNCFZQFOI-UTKZUKDTSA-N 402.543 1.066 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)CN(C)C)CC1 1359030833 HNQSBANRWOEXPU-JOCHJYFZSA-N 418.586 1.273 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1359238217 CKQIFHNIPZPBJQ-QRQCRPRQSA-N 424.505 1.837 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(I)n[nH]c1C 1452935525 IQQQUUHBODDVOW-UHFFFAOYSA-N 403.220 1.740 30 10 HDEE CC(C)(CCN1CCOCC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1453826929 HOEROIPYDWVLBC-UHFFFAOYSA-N 407.536 1.995 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1455990073 ASTFSUKNMIUEBH-UHFFFAOYSA-N 400.460 1.138 30 10 HDEE CN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[C@@H]1C#N 1460600515 FHODWKGBCFINNH-QAPCUYQASA-N 406.508 1.270 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)CCOC(C)C)c1ccc(Br)cc1 1468452351 XWJHMBIQOVPZAB-OAHLLOKOSA-N 417.325 1.584 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(O)cc1O 1469153133 RSCOCJCJWQBYEM-INIZCTEOSA-N 417.487 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OCC)cc1 1471781417 VMXVOQZLQIZRRW-DOTOQJQBSA-N 410.492 1.382 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ccc(Br)cc3)C2)c(=O)nc1O 1472371825 XNXXBUPKRUJCED-UHFFFAOYSA-N 403.236 1.599 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1472438391 RCNKIEWEPKHWLF-UHFFFAOYSA-N 410.400 1.468 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 1475678071 XLMCRPDMTZJHCR-INIZCTEOSA-N 413.540 1.272 30 10 HDEE CCOCCOC1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1478404927 WNVIQBPRJVJYKN-DOTOQJQBSA-N 410.515 1.973 30 10 HDEE C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1478810731 KFAPIPRFZAFLHE-GFCCVEGCSA-N 424.436 1.649 30 10 HDEE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1 1478957082 LHVVTWCRLSKGNY-IAGOWNOFSA-N 421.505 1.856 30 10 HDEE COC[C@@H](F)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1504608538 LEBBCKAGIZRRBT-GJZGRUSLSA-N 416.505 1.937 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCOC1 1504888002 ZAQSVJOUFNWYPU-SFHVURJKSA-N 406.512 1.152 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCSC2)CCO1 1505322152 JRCMOFFUKVPFCE-DYVFJYSZSA-N 406.899 1.590 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507585661 MGJYNQPYTBKADF-HNNXBMFYSA-N 407.482 1.229 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507623107 OTIFGLQVPHNDKO-OAHLLOKOSA-N 424.958 1.752 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1507700716 VLQYSYGDGAVDTR-GASCZTMLSA-N 414.514 1.685 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CSCCS2)CC1 1507725475 WQGWSPVDFNQQLC-INIZCTEOSA-N 400.577 1.944 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)c1 1519434984 AOESETKHWHBWBK-ABSDTBQOSA-N 417.489 1.810 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(CC2CCCC2)nnc1N1CCOCC1 1521422523 CBLWUFXQMXGDNR-HNENSFHCSA-N 400.483 1.374 30 10 HDEE Cc1cc(=O)oc2cc(OCC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)ccc12 1523979383 GJZXTJRGKNESEG-UHFFFAOYSA-N 409.402 1.550 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3nc(-c4ccccc4)sc3C2)C1=O 1531636590 OHLUYYSQZTVJGU-UHFFFAOYSA-N 410.455 1.672 30 10 HDEE CCN(C(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)[C@H](C)C#N 1533905774 CWINJNGABCGAEG-CVEARBPZSA-N 420.535 1.831 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C(=O)OCC 1535090801 ICBIFIBXYZLBBK-LBPRGKRZSA-N 404.828 1.802 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)C(=O)OCC 1535344950 LZIFWKBRZZUUEU-CQSZACIVSA-N 404.872 1.673 30 10 HDEE Cn1nc(I)cc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1538030417 ZJPGXEFOIBXHSO-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 1538725914 FIKHNHGHQAETGO-UHFFFAOYSA-N 418.450 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539015295 UCZKMPUYDDKDRC-YESZJQIVSA-N 410.526 1.741 30 10 HDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)CC1 1539067430 GGPRADXUNUXEHK-UHFFFAOYSA-N 405.462 1.724 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1539215915 LLJGGSVEQJLNIT-QGZVFWFLSA-N 408.487 1.410 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)C(C)(C)C 1539238479 YCAVSUCTCXTVRX-NRFANRHFSA-N 401.511 1.165 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCOC34CCOCC4)C2=O)cc1 1539316257 DACMFTKMPXPWBQ-IRXDYDNUSA-N 412.446 1.218 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H](COC)OC)CC1 1539452800 YUJLDAPZXOTYEM-INIZCTEOSA-N 419.476 1.564 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N(C)CC(C)(C)CN1CCOCC1 1539811484 CIQWHQFDTRTARF-UHFFFAOYSA-N 424.977 1.948 30 10 HDEE COc1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)NC(C)C 1540003492 OTAQWXDRXMEPSN-UHFFFAOYSA-N 419.463 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540866848 CIOCFCQCDZVVOL-CABCVRRESA-N 405.524 1.505 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540868099 RVRJATMRHPEHPV-HXUWFJFHSA-N 416.913 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540902736 OZYWAIJNLNJTIP-WNRNVDISSA-N 424.567 1.492 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1544784977 VIIQJCUFICMURL-QYZOEREBSA-N 406.504 1.892 30 10 HDEE COC(=O)CCN(CC#N)C(=O)COc1ccc(I)cc1 1544787146 RBZKTRDSPRDUBG-UHFFFAOYSA-N 402.188 1.585 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1552662338 CFAMSODPPJPGPI-ROUUACIJSA-N 410.478 1.261 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)c2C1 1557243070 KOHXAEZEFUANTO-AZUAARDMSA-N 420.517 1.804 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)c1 1558211859 JWAPWVRMPZCCQB-IBGZPJMESA-N 401.463 1.524 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1564269697 PKWGBHNYHXASRR-MOPGFXCFSA-N 401.463 1.537 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br 1564847367 LNNBZMSUCPDPIO-INIZCTEOSA-N 407.312 1.587 30 10 HDEE C#CCN1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1565815122 WKVGEOWQRIMMLK-UHFFFAOYSA-N 417.575 1.961 30 10 HDEE O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)NCC#CCO 1568141932 JHTCOLDJNRIJSI-MRXNPFEDSA-N 404.467 1.467 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 1583248108 ZXEUBWZIRGQUKZ-YLJYHZDGSA-N 424.519 1.520 30 10 HDEE Cc1cc(O)nc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1583388102 MKXGSBWCAXGBDX-DMAKZNTKSA-N 401.467 1.894 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2c2ccnn2C)ccc1F 1585077700 WRDXRIYLPADSNL-MRXNPFEDSA-N 408.455 1.237 30 10 HDEE C=C(CO)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1588119632 ZHVFPLUAIKFKSD-MHWRWJLKSA-N 406.460 1.795 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OCC)CCOC1 1594774301 JJAZEJUVTACXQS-HXUWFJFHSA-N 407.515 1.191 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N(C)C)C1CC1 1595062818 XWCNWMRCMMMXJL-UHFFFAOYSA-N 410.569 1.680 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C 1595823253 MQOVHPCEUNDEOS-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1595845267 QJJBLBRGVXERMG-RDBSUJKOSA-N 401.558 1.175 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1602997239 NCMLOZILKDBOFT-RJCBAWPRSA-N 424.509 1.830 30 10 HDEE COC(=O)c1ccc(N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(C#N)n1 1613069205 UQAGQKXYSZEQJO-ZUZCIYMTSA-N 403.382 1.686 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613282162 MQQSHJKRSCLLCQ-PFANNTFUSA-N 402.499 1.933 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCCO 1614023694 GTNPEGVOEIKLJR-UHFFFAOYSA-N 402.474 1.577 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614283798 WRBQINWCDHSUCU-RTRPANQVSA-N 423.525 1.436 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nnn(-c2ccccc2)c1C(F)F 1616348426 ZWYBDOYQCKJVTC-LGMDPLHJSA-N 402.361 1.461 30 10 HDEE CC(C)[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(C#N)cc1I 1616827514 ZQQBODUAMQKTDJ-LBPRGKRZSA-N 421.260 1.675 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1620358875 IDEOWIKNBQZRHL-MRXNPFEDSA-N 402.499 1.194 30 10 HDEE N#CC1(C[C@H](O)CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CCOCC1 1620419805 JFYXSOSVECZZKS-RBUKOAKNSA-N 407.536 1.964 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1620452068 WAONURAAOCLZKB-INIZCTEOSA-N 411.506 1.830 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)n(-c2ccccc2)c1C 1620526659 PPQMDVCKONXNFD-TZIWHRDSSA-N 421.501 1.884 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F 1621673119 CELVECOJZQRXMH-SNVBAGLBSA-N 413.395 1.102 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O)C(=O)OCC 1622506677 VKJBBUWJXZVCQC-MRXNPFEDSA-N 408.476 1.490 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](COC)[C@@H]2CCCO2)c(C#N)cn1CCOC 1623540664 GXSADDLZVOPCHX-CABCVRRESA-N 408.455 1.498 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1626855713 JJCNBPWQSIGSHX-QGZVFWFLSA-N 406.454 1.469 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1629090594 HONRZBDWHDDIHU-DZGCQCFKSA-N 410.409 1.746 30 10 HDEE Cc1ccc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1S(=O)(=O)NCC#N 1629813673 YEVBMWLYZGSYJC-GOSISDBHSA-N 414.443 1.274 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)Cc2ccc(C(N)=O)nc2)nc1C 1632842078 IFMUABQPIQFGQM-UHFFFAOYSA-N 415.504 1.860 30 10 HDEE C[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1CCC(Cc2ccccc2)CC1 1635697073 GNESHPAVZXJBOI-XJABCFGWSA-N 415.559 1.726 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1637300377 AGGSRKRUODEGHQ-AWEZNQCLSA-N 415.899 1.409 30 10 HDEE C=CCN(C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)[C@H](C)COC 1638852999 AICFYWSJJUHRRH-HUUCEWRRSA-N 410.515 1.439 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2cccc(OCC)c2)cc1 1639183345 JLUJJSGMFNVPTJ-UHFFFAOYSA-N 416.499 1.632 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3csc(CCC(F)(F)F)n3)C2)c(=O)nc1O 1640636449 GOEVFGWFDCLVES-UHFFFAOYSA-N 413.381 1.398 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCn2ccnc21 1641229401 QJPGZEQIDNBTFM-GJZGRUSLSA-N 401.492 1.598 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](c4nnc(N)o4)C3)CC2=O)cc1Cl 1642473156 QGIRCXBFPSVGRQ-OLZOCXBDSA-N 414.853 1.936 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1642593540 ZJICWVKAXRGBDZ-UHFFFAOYSA-N 407.374 1.422 30 10 HDEE CSc1nc(O)c(C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1C#N 1643895682 CZWSBZGWOAIEBW-UHFFFAOYSA-N 411.443 1.363 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCOC)C[C@@H](O)C(F)(F)F)cc2C1=O 1644106664 DZHSFFWKEYWFBK-CQSZACIVSA-N 400.353 1.480 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1646526606 NLYISZBNSHHPSC-MOPGFXCFSA-N 407.492 1.307 30 10 HDEE C[C@H](CC(=O)N1CCC(C)(N2CCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1650951849 TWABPIDOAXWFOK-OAHLLOKOSA-N 404.536 1.591 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C[C@@H](O)COc1ccccc1C#N)C2 1653594223 GIBAALUGQCKGGN-GOSISDBHSA-N 415.515 1.607 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1CC(=O)N(CCC#N)c1cccc(C)c1C 1654782081 DLCZWHRJNWCYQW-SFHVURJKSA-N 400.479 1.304 30 10 HDEE Cn1nccc1[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1657202458 BYISNYDDVAUECY-CQSZACIVSA-N 411.281 1.816 30 10 HDEE CNC(=O)CN(CC(=O)NC)CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCCC1 1660034661 VNUANLZDTUQZPU-UHFFFAOYSA-N 416.526 1.214 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC 1660940021 KDFVLXMPANIUTD-IAGOWNOFSA-N 405.513 1.388 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1n[nH]c(C)c1C(=O)OC)c1ccc(Br)cc1 1664133466 MXRQCCYNNZWDFH-GFCCVEGCSA-N 412.265 1.920 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1 1672262714 PPBRLWUTFQKZAX-QGZVFWFLSA-N 405.520 1.858 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1682022310 XXJBGUINAJOOPK-FQEVSTJZSA-N 420.469 1.874 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 1682295949 HLSLXMWZRQTQTF-QFIPXVFZSA-N 424.501 1.971 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)NCc3ccc(OC)c(C#N)c3)C2)CCC1 1683694896 MIRBZEOBSPRTLU-OAQYLSRUSA-N 401.463 1.947 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)n1 1685474413 OFDZGMMRDRUAQH-CABCVRRESA-N 412.498 1.714 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1690009642 DXRBQHLZSIETDD-SFHVURJKSA-N 421.501 1.510 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@H]1CCS(=O)(=O)C1 1690098671 QLBIKLCVUKIRTF-KRWDZBQOSA-N 402.520 1.774 30 10 HDEE C#CCSCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(C)C(=O)C1 1690159660 ILIUFSSXGPTUHO-UHFFFAOYSA-N 421.530 1.980 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccn2)CC1 1690308087 ALDSLQCUTXIJCC-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccn2)CC1 1690667902 LUKKESDHTIXXGM-UHFFFAOYSA-N 406.494 1.307 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690670657 GRIWYCGZOBVCPH-KRWDZBQOSA-N 418.542 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690719408 LVJHLQKFDFBHSV-IBGZPJMESA-N 419.507 1.306 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1690722538 NACRKENCPNHTOQ-DOTOQJQBSA-N 407.540 1.746 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CCO1 1690958490 VVKNNUHJTJASII-FQEVSTJZSA-N 422.489 1.505 30 10 HDEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1691600885 FRNANEKFLOKUOA-QZTJIDSGSA-N 415.542 1.250 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)F)CCOC1 1692589602 AZZPPSFZEZEYBR-KSSFIOAISA-N 415.441 1.677 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1697043643 XLDZWFJHJDJUNV-CYBMUJFWSA-N 421.417 1.438 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NCC=C)c1 1705505262 KFGBIAARHRTEKH-UHFFFAOYSA-N 417.473 1.632 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2CC2)c1 1705573710 MHKNPUGZHFFQPX-MRXNPFEDSA-N 411.531 1.887 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)C(C)(C)C 1705666679 GSGGNKHFORWBIM-ZRGWGRIASA-N 411.572 1.942 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COC)C1 1705814000 ZYHRJBNBWLFQRW-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1705877279 AZEHKKUQPSLLAC-UHFFFAOYSA-N 408.510 1.828 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1705938850 LCJKGUKTKXGBCC-BRWVUGGUSA-N 410.540 1.878 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)c1 1712878453 FJZKHQUYAMQEDI-FQEVSTJZSA-N 421.505 1.658 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(N2CCOCC2)n1 1722356763 KGWUEWSRYATUGR-UHFFFAOYSA-N 420.521 1.489 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C2CC2)CCC1 1722428620 HXEXMSKNVUKNJN-MRXNPFEDSA-N 406.552 1.847 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722532799 WTSCQHPEZSJKCO-QGZVFWFLSA-N 418.542 1.517 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnn(C)n1 1722678314 PFDGTGARHAJESJ-UHFFFAOYSA-N 418.889 1.818 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722690394 JDOPDZBTMINSAC-SJORKVTESA-N 412.542 1.989 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1722701647 YROQORNLODEUQG-UHFFFAOYSA-N 409.416 1.768 30 10 HDEE CCOCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729163043 DGZONTTYDKDMBI-OAHLLOKOSA-N 400.487 1.228 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCN(C(C)C)CC1 1730973139 PPJZUVWXCAAVHV-UHFFFAOYSA-N 414.510 1.962 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1740741139 FRZKEPMCALQMCZ-UHFFFAOYSA-N 415.317 1.234 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)CC1 1740825377 NLXDJNZRAYUKNO-HNAYVOBHSA-N 406.508 1.837 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740875681 HWLUWINYDSARNZ-IAGOWNOFSA-N 409.556 1.753 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740886284 BSDQEBNAYCBEKM-CQSZACIVSA-N 404.540 1.893 30 10 HDEE C=CCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740949710 PTVQZUFZCUMEPE-FQEVSTJZSA-N 417.489 1.760 30 10 HDEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1741594563 IVUBSRAGWBEEOP-ZIAGYGMSSA-N 416.573 1.006 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1742152523 DDTYCVHOZUQZDD-UWJYYQICSA-N 412.469 1.962 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1743308426 BKLNWBCEBXOFSS-IWHJNQCMSA-N 414.510 1.761 30 10 HDEE CCC[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1745232176 ANILWLAHFDCCGS-MGPUTAFESA-N 417.535 1.991 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748000268 KUPGFIPPTFJFFQ-AMGRQBIBSA-N 400.483 1.372 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1748319104 CTSUJAOBSIHBTH-KRWDZBQOSA-N 408.462 1.342 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748809886 XCSHRPFSEMCVFH-RDJZCZTQSA-N 418.519 1.615 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812548 WBLDMPRCUGXBRQ-NUJGCVRESA-N 419.551 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCCNC(C)=O 1748828728 JZBSWNHKKWXUPG-UHFFFAOYSA-N 417.311 1.645 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1748852391 DHCQVHUHWRPDED-LJQANCHMSA-N 417.517 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCS(=O)(=O)C(C)(C)C 1748887050 QZUBCRMZNHPQJM-UHFFFAOYSA-N 400.508 1.411 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCOC1 1748888934 BMMVQFWISDAUSQ-JOCHJYFZSA-N 408.458 1.331 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1748928883 AGZKITYVZOGDCH-KRWDZBQOSA-N 419.507 1.189 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCCO)CC1 1748993407 XBEMRDOUABSXTO-UHFFFAOYSA-N 401.486 1.162 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749040292 SOOSHKBDJPWDGI-QGZVFWFLSA-N 417.510 1.326 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749218020 GKJJHNBAVLQBHH-GOSISDBHSA-N 407.478 1.623 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C)C1CC1 1749508507 SKIFIQNCLZBUOM-WHDAMIPWSA-N 417.601 1.590 30 10 HDEE COCCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1749700696 LHFZOEVAYJVANX-HXUWFJFHSA-N 412.538 1.874 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1760173646 AFLXMXFZXHDLDZ-MRXNPFEDSA-N 411.487 1.953 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1760241339 WRKGZMRURYHXEB-UWJYYQICSA-N 413.453 1.160 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCn1c(O)nc2ccccc21 1760247833 QUWDUKOSAOJRIZ-UHFFFAOYSA-N 418.461 1.577 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760412043 HCOVMGYAGGEICK-MRXNPFEDSA-N 411.572 1.856 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1760437840 PGGDYWQTGAEDEP-KRWDZBQOSA-N 422.489 1.928 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C2CC2)C1=O 1760500957 ZJGZXIGOGSTMGV-NRFANRHFSA-N 416.526 1.164 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1760528227 WIMOWLSOVBGZAS-CALCHBBNSA-N 419.457 1.148 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCSC2)C1 1760533041 AOXOXASVQTUANK-DNVCBOLYSA-N 407.540 1.163 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(F)(F)C2)C1 1760535027 KGOXHRQWCDULIF-OCCSQVGLSA-N 419.498 1.715 30 10 HDEE CO[C@@H](Cc1ccccc1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1768046018 GOYDHHCYIJXNCB-RBUKOAKNSA-N 407.478 1.665 30 10 HDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1768085864 FBQVECHRMDLFHT-SFHVURJKSA-N 409.494 1.799 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1(C)C 1769115576 QUKVCZLUUZVATQ-KRWDZBQOSA-N 422.493 1.767 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](COC)OC 1769264033 CBGUCCFZAOCAFR-CLWJZODNSA-N 407.515 1.794 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1769994143 HTJWAWBGVGIZRL-OXQOHEQNSA-N 424.521 1.555 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772787809 RGPJQYZHGQNLMM-UHFFFAOYSA-N 401.379 1.171 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1772790353 QOIVUZIGTGLSTE-QGZVFWFLSA-N 414.439 1.984 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1848491348 MJQZNBRIJJTDIJ-FQEVSTJZSA-N 407.426 1.713 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)c1cnc(O[C@@H]2CCOC2)c(Cl)c1 1850193712 DYSTWUAJAXZEKZ-LLVKDONJSA-N 407.835 1.782 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)c(C#N)cc1C#N 1851054733 NDQRUXQFFQZMNF-HNNXBMFYSA-N 409.833 1.896 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3nnn(-c4ccccc4F)c3C)C(=O)C2)C1 1853729145 IOYSOCOULZNEJI-INIZCTEOSA-N 412.469 1.260 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(N(C)C)ccn2)C1=O)[C@@H]1CCN(C)C1=O 1854059432 KNNPPAVDUPSSBG-RBUKOAKNSA-N 413.522 1.388 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1 1854652018 ZVEOLCWUQISTJS-QGZVFWFLSA-N 405.476 1.798 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@@H](C2CCN(CCCC#N)CC2)CC1=O 1855010797 RMAHYCUAZZPLLA-ROUUACIJSA-N 424.567 1.191 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)c3ccc(-n4cccn4)nn3)C1=O)CC2 1855176368 KCYDTWVAEVNTTF-NVXWUHKLSA-N 405.462 1.419 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c(C)c1 1855647372 SIBXUGKOMPJLHP-QGZVFWFLSA-N 403.504 1.993 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)CC(F)(F)OCC)C2=O)CC1=O 1856238568 LKONTBFPDOUZBC-GJZGRUSLSA-N 401.454 1.490 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c1C 1857224114 XWHYWMXCWYITIB-ROUUACIJSA-N 411.506 1.703 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 1858640780 IYBYUXBNPKWUJF-UHFFFAOYSA-N 417.487 1.728 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1F)N1C(=O)c2cccnc2C1=O 1866240908 ZQEDJBDFVGZFIC-LLVKDONJSA-N 404.361 1.901 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1 1866525195 CMBIQJQICJQCGE-AWEZNQCLSA-N 411.462 1.109 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCO)c(C)cc2=O)nc1C 1870088610 ZNLSMZQJISKEBD-UHFFFAOYSA-N 407.448 1.274 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCC(C)C 1870356220 KXVCKIOHUVLTIH-UHFFFAOYSA-N 405.539 1.946 30 10 HDEE C=C(CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)B1OC(C)(C)C(C)(C)O1 1991971766 WJWVJFUCFMIVQJ-GJZGRUSLSA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025899728 OJWJWRRHVVDWME-UHFFFAOYSA-N 421.303 1.861 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162562076 WMRNAXGOWAEQCG-CYBMUJFWSA-N 412.537 1.771 30 10 HDEE CN(C(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)[C@H](CC#N)C(F)(F)F 2181148019 PQXPILVXOPWTPE-SECBINFHSA-N 401.332 1.906 30 10 HDEE C[C@H](O)CN(CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2217454365 UAVZGCCMSJBPQA-HNNXBMFYSA-N 421.347 1.833 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OCCN2C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243383006 WAYGIHURQUDLIS-LSDHHAIUSA-N 406.288 1.468 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247779756 ZEUNXNHWASUMJU-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247827104 FSMDFFURVKUEKW-CQSZACIVSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCCC#CBr)O[C@@H]2C1 2250002283 JDWQVVRPXIJQSR-XQQFMLRXSA-N 403.273 1.252 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003913 DBPZQUAQFKICRZ-OAQYLSRUSA-N 422.331 1.890 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373090 YMUVAICRKJXTJE-QWRGUYRKSA-N 407.388 1.438 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CSC[C@@H]3C(=O)O)s2)OC1(C)C 2269035779 HCVLZAOYIXEUFK-SECBINFHSA-N 405.328 1.196 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCNC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282310690 XKQBWNQAGAIUKQ-GFCCVEGCSA-N 400.375 1.775 30 10 HDEE COC[C@](C)(CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322489 MWTNYFDOKGSEHL-INIZCTEOSA-N 405.347 1.031 30 10 HDEE CC1(C)CNCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332098 WIWMAOAGLVYAKL-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332560 DAEILSXWRRJVLM-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C 2282334126 XPUAJYWHMDNBRL-AVGNSLFASA-N 400.375 1.807 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341523 TYXUSVXPEPLRML-XELLLNAOSA-N 402.347 1.120 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCOCCN2)OC1(C)C 2282489538 DOQJYTWNMLRNMA-UHFFFAOYSA-N 402.709 1.165 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H](N)C3)ccc2Cl)OC1(C)C 2282502055 FZFGMQFAEOULLI-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CO)C2CCC2)OC1(C)C 2282503912 HMUBHUSAYUWNOK-CQSZACIVSA-N 401.359 1.628 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512180 RJCWKDJDTWNMKV-SSINHNECSA-N 421.777 1.685 30 10 HDEE Cc1nn(C)c(C(=O)N[C@@H]2CCCCC23OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282574052 JQJLTBVGOXQMNT-CQSZACIVSA-N 405.304 1.443 30 10 HDEE CCON(C1CNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282831387 JPUAIKUAWRHLIE-UHFFFAOYSA-N 422.765 1.615 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3csnn3)c(Cl)c2)OC1(C)C 2282835939 ZRPLXKAYVSXBOM-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](O)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282842468 YTJQCVUOMXTKQX-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1N(C)C 2282856585 VHKJYUHUNROFCE-TZMCWYRMSA-N 400.375 1.618 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCNCC2)OC1(C)C 2282882089 HASQGQREZAKIBN-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284403374 PHOXNSZCLBSNRJ-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(F)(F)C(=O)O 2284404513 ZLIGCHVSERULLB-UHFFFAOYSA-N 411.257 1.354 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(O)CCC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284414649 RYKYFXYEXFIVDH-UHFFFAOYSA-N 405.303 1.519 30 10 HDEE COC[C@@H](ONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284423654 VOVBLBCZPSMQMY-SECBINFHSA-N 405.665 1.462 30 10 HDEE CCCN(C[C@@H](C)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288022476 LWTYOWYSBQZPAJ-GFCCVEGCSA-N 404.363 1.365 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2COC[C@H]1CC(NCCC#CBr)(C(=O)O)C2 2324839717 QOZQRRLZXSBLRA-CHWSQXEVSA-N 417.300 1.944 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)C2CS(=O)(=O)C2)OC1(C)C 2343821374 NVDZZQIZBWECPD-UHFFFAOYSA-N 405.734 1.362 30 10 HDEE C#C[C@]1(O)CCN([C@@]2(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc3ccccc3)C2)C1 2346595425 KGMTYIZROGVPGW-NYVOZVTQSA-N 400.475 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2[C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365176589 RBEOFFSTEGZYNW-HZPDHXFCSA-N 400.541 1.258 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 2365207237 MJWGYUUSVSIBDL-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367784403 BISNAAIGVHQSLW-ILXRZTDVSA-N 400.541 1.745 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367815695 FZLGGGTWUQJGPG-DNVCBOLYSA-N 400.541 1.307 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367822910 XRHHKUAPHUGMBA-SPYBWZPUSA-N 400.541 1.340 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2367826529 ZHNJMCYCPSSIFM-LSDHHAIUSA-N 400.541 1.306 30 10 HDEE CC1(C)OB(c2csc(CN3CCC(CS(C)(=O)=O)CC3)n2)OC1(C)C 2368845532 WQPBDUGYCZELRR-UHFFFAOYSA-N 400.375 1.699 30 10 HDEE CO[C@H](C#C[C@H](O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369517523 UQOGVNRAPDJWRP-GVDBMIGSSA-N 401.525 1.590 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1 15422557 ULXZVCACTHYIRL-UHFFFAOYSA-N 418.519 1.088 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 20292985 IZFFCQYRATYALV-QGMBQPNBSA-N 404.481 1.634 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21 33268704 HTDKIEVRRDTSMJ-UHFFFAOYSA-N 418.497 1.694 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3C)n2N)cn1 59830046 RDUOACNUCWXANQ-AWQFTUOYSA-N 411.495 1.860 30 10 HDEE C#CCn1c(=NC(=O)c2ccccc2OC)sc2cc(S(N)(=O)=O)ccc21 254866712 PZQUMNUMDAUYJX-UHFFFAOYSA-N 401.469 1.733 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2ccc(C#N)c(B3OC(C)(C)C(C)(C)O3)n2)C1 381987609 OHTBXWWFLLJYSV-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE Cc1cc(N2CCN(C(=O)c3cc(-c4cccc(C#N)c4)no3)CC2)n2ncnc2n1 436451601 AFIICYNSRRTULT-UHFFFAOYSA-N 414.429 1.922 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CCn2nnc3ccccc3c2=O)CC1 438600859 GOIROGBSLORJTO-UHFFFAOYSA-N 418.457 1.955 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)c2C)cc1 465263323 MVJRHNIZKIUIPU-MRXNPFEDSA-N 416.489 1.826 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N(CCN(C)C)Cc2cccc(C#N)c2)c1 468704976 FNASOSRNXRLNTR-UHFFFAOYSA-N 417.535 1.777 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(CCC(=O)N(C)C)CC2)cc1 473046621 LGUYMIUBEHRVCJ-UHFFFAOYSA-N 415.538 1.428 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 474835736 BKGXJKNTSKTNFS-CVEARBPZSA-N 415.494 1.236 30 10 HDEE COC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 482496010 QXWKVSCDDGNYTC-FZKQIMNGSA-N 405.451 1.868 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CCC#N)CC(F)(F)F 482659481 NUBXNJQADUWRKP-UHFFFAOYSA-N 419.425 1.934 30 10 HDEE C[C@@H](C(=O)N(C)[C@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccc(C#N)cc2)CC1 507802652 WAZMEXBAFQLUNF-RDJZCZTQSA-N 405.520 1.435 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CC1 579521395 ZRWRTYGYSGBZBD-UHFFFAOYSA-N 407.536 1.812 30 10 HDEE Cc1cccc(NC(=O)C(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)c1C#N 615307016 HHEASZBNOYNXKK-IBGZPJMESA-N 416.441 1.461 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 669742066 NZFYETQLAURCTR-IBGZPJMESA-N 400.523 1.266 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1 732155144 XSLRMJNQBBFUMS-MYXCPXAOSA-N 414.487 1.404 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1CCN(C2CC2)C1 732164850 ACWCKROFKFNFMR-WMZOPIPTSA-N 418.563 1.835 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1C1CC1 732652245 SJYMTTWUGNQBKD-MJGOQNOKSA-N 402.520 1.429 30 10 HDEE CC[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 732702660 VXRZTHQGZZQHKN-PKOBYXMFSA-N 413.522 1.986 30 10 HDEE COC(=O)[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(C#N)cc1 740188323 DSLPOZBTMLDPSU-QGZVFWFLSA-N 413.411 1.054 30 10 HDEE CO[C@@H](C)c1noc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)n1 750031309 OXFTWRCSYWTLMP-ZDUSSCGKSA-N 420.495 1.008 30 10 HDEE CCOC(=O)c1sc([C@@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)nc1C 757021197 GMJRKINVQBUIRI-QSJBWMMGSA-N 406.464 1.722 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(O)Cc3ccccc3C2)C1 758776877 MKOFXFPREJWDPZ-SJORKVTESA-N 400.479 1.575 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 759274450 ZWFGRBHDZOARRP-HNNXBMFYSA-N 402.451 1.396 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCCN(C)C(=O)OC(C)(C)C 766354473 WIDNUAWQBHBUIR-ZDUSSCGKSA-N 411.480 1.635 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)NN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 767705667 RPFGRMJOJMXPCH-ZUOKHONESA-N 403.435 1.639 30 10 HDEE C#CCN(C(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774039145 QSYIYOLQXUZEDR-OAHLLOKOSA-N 421.500 1.536 30 10 HDEE C#CCN(C(=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774047852 WXCWXHWJFTVUGX-UOXLDJKESA-N 408.423 1.968 30 10 HDEE COc1ccc(CNC(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 780843199 NEXITCCRMTZIPY-INIZCTEOSA-N 423.433 1.633 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(=O)n(C)c1=O 782835299 KPQQEGWSMUDKNO-GQCTYLIASA-N 410.821 1.447 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)O)cc1Br 788443558 YHNCDHRUXIADLA-AWEZNQCLSA-N 417.281 1.869 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)n1 790105233 VDIFJBGWIMCKLO-SFHVURJKSA-N 415.538 1.856 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nc3c(c(O)nn3C)c2C)n1 790105716 WREMXFUKBNWXCU-UHFFFAOYSA-N 410.478 1.338 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl 790349966 AQJMERSAGOLIOT-LLVKDONJSA-N 407.897 1.168 30 10 HDEE C[C@](O)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 791072537 NQTVKYXAJFSKLX-FQEVSTJZSA-N 407.536 1.953 30 10 HDEE COc1ccc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1C#N 792738318 AOMFSWXFYJZNRG-SFHVURJKSA-N 422.533 1.503 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)c3ccc(Cl)cc3S2(=O)=O)c1 800840504 OGWMXWYVJBIRQN-UHFFFAOYSA-N 410.860 1.830 30 10 HDEE CCOC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804162985 YQVQGVWYISGCAO-CZUORRHYSA-N 404.442 1.687 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCCN1CCN(c2ncccn2)CC1 804893401 BGLAEYVMMXUBJK-NRFANRHFSA-N 406.534 1.923 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)C1 805484997 YDXMBYXJJFKRDI-OAHLLOKOSA-N 403.426 1.444 30 10 HDEE COCC[C@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 810164173 ATVGFSSQGYUIHM-OVFHLDOESA-N 412.512 1.672 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812429709 UKZVPELUVMQIAP-IRXDYDNUSA-N 415.519 1.312 30 10 HDEE COC[C@@]1(CNS(=O)(=O)c2cnc(C)c(C#N)c2)CCCN1C(=O)OC(C)(C)C 813705306 ICWOVFWXBLZCME-IBGZPJMESA-N 424.523 1.956 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ncnc2c1cnn2-c1ccccc1 814802985 FGZDFGZZLFUMPP-UHFFFAOYSA-N 411.451 1.113 30 10 HDEE N#C[C@H](C(=O)Cc1cscc1Br)C(=O)N1CCS(=O)(=O)CC1 815947284 VPYRLSPRYQAUHX-SNVBAGLBSA-N 405.295 1.019 30 10 HDEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)N[C@@H]1CCCN(O)C1=O 816756692 CHPMKWPMXPSWMA-CQSZACIVSA-N 411.384 1.942 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(CC#N)cc1 1130161627 MWKAFBPJXIAVJJ-UHFFFAOYSA-N 420.512 1.501 30 10 HDEE CC1(C)CO[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1133412789 TUZXOFQNIQQJMF-KRWDZBQOSA-N 405.520 1.890 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(S(=O)(=O)C4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1134428804 BQKJXMAGIXCCOE-HNAYVOBHSA-N 422.528 1.413 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3COCCN3C(=O)OCc3ccccc3)CC2)C1 1134525632 ITGOPAZCQYHVAH-LJQANCHMSA-N 414.458 1.888 30 10 HDEE C[C@@H]1C[C@@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CN2C1 1136149678 UPTUZJYMGJTNLX-QRQLOZEOSA-N 416.547 1.512 30 10 HDEE C#CCN(CC(=O)Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)OC(C)(C)C 1143905288 PMEVNSMIIRAIJF-UHFFFAOYSA-N 402.451 1.101 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1 1146247689 PBWYMLFDMWTPND-CYBMUJFWSA-N 418.519 1.865 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNc2cc(C)nc3ncnn23)c1 1148659795 BPWOYMTWHVBCHE-UHFFFAOYSA-N 412.475 1.072 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C(=O)OC)c2N)s1 1156059169 LHVKZCYEUSUJKH-UHFFFAOYSA-N 409.489 1.762 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H](C)N1Cc1ccccc1 1164478271 CGVCURWUBNEZCA-IXDOHACOSA-N 409.490 1.721 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)c1 1171813823 CRWNGBWFLXSQCR-UHFFFAOYSA-N 424.486 1.132 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](C4CCOCC4)C3)CC2)o1 1176410954 FAEQABMDNQHUQO-SFHVURJKSA-N 401.511 1.642 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1184015207 XQWFORJFFJJDKY-SIFCLUCFSA-N 409.483 1.355 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1203182911 IIEZBBKZPJKCPP-CABCVRRESA-N 401.423 1.032 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CC1 1203937944 ASWYPZCHFMQDGH-HNNXBMFYSA-N 414.491 1.727 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286385708 ZELBJCOHWJIESM-LMMKCTJWSA-N 407.584 1.581 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1cn[nH]c1 1286462752 UZVBMVURVPWZIG-UHFFFAOYSA-N 418.461 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1286464208 WMOHGQFCQQCLCV-OAHLLOKOSA-N 406.483 1.605 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1286512471 VGFQIVBEZINSJH-SFHVURJKSA-N 408.487 1.824 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286555474 KPQFEJOGLHULIG-USXIJHARSA-N 409.556 1.607 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286726611 GIPBDUTULNNIMU-OAHLLOKOSA-N 413.507 1.431 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1286836577 NUMZWEUGIZSUGE-JXFKEZNVSA-N 423.583 1.953 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cs1 1290435048 FQTAQLBZUBCJIK-SJORKVTESA-N 418.523 1.558 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OCC)CCOC1 1296250611 BWSFACPYAQQFCS-YWZLYKJASA-N 406.531 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)s1 1297359581 OMHPAYFKRRXRDK-LSDHHAIUSA-N 401.529 1.400 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300382673 YWWULTKIIIDABO-YVSFHVDLSA-N 404.467 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCOCC1 1300586442 CGOROUXESLIZKR-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)CC1 1300830865 MNRMXQRHCDCAPC-GFCCVEGCSA-N 402.293 1.237 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300843908 HRFNDNJKDVJKAM-LBPRGKRZSA-N 421.303 1.596 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1300894444 BZKPXUNPGKVTJC-LMMKCTJWSA-N 419.526 1.406 30 10 HDEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301057706 VNYUNUQVMHSTJU-ZIAGYGMSSA-N 413.457 1.772 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1301187029 NKTUELANYKDMKP-ROUUACIJSA-N 413.526 1.996 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCSCC2)C1 1301553905 VNTHLYQJQGAYBX-QGZVFWFLSA-N 403.556 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@@]1(OCC)CCOC1 1301596647 VAXRMMOUKWIOOA-GQIGUUNPSA-N 424.567 1.623 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1301611951 IWRCQACJCWKILX-ZIAGYGMSSA-N 414.553 1.099 30 10 HDEE COCCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301628239 QASSODIOIJGMBL-CQSZACIVSA-N 416.482 1.574 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CCO1 1301900646 AXYOZSVPLCSYMJ-IBGZPJMESA-N 424.505 1.463 30 10 HDEE COCCOCCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1302216958 RLLSMFIPPIGDOZ-UHFFFAOYSA-N 404.515 1.584 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2Cc2cccc(C(N)=O)c2)C1 1302977950 DQMKOGVXIUAAJR-OAQYLSRUSA-N 405.437 1.853 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1Cc1ccc(C#N)o1 1303811056 VRVFOXGRPCWFPG-VIFPVBQESA-N 406.390 1.400 30 10 HDEE CC1(C)C[C@H](O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2O1 1304257087 XGQMQJORXMQGBR-HNNXBMFYSA-N 415.471 1.958 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)n(C)n1 1304730219 AYCBYNQDWFHGNA-MRXNPFEDSA-N 417.539 1.401 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 1309613589 PHAMWHVKHVHGKP-ZWKOTPCHSA-N 407.536 1.380 30 10 HDEE Cn1cnc(CCCNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 1312921803 XFNGDCWHCXIBMH-UHFFFAOYSA-N 404.478 1.699 30 10 HDEE CCn1cc(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)nn1 1312984059 WTYFXXIOHHJOGG-UHFFFAOYSA-N 407.482 1.678 30 10 HDEE CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1313482856 AJYATDVZMMQSAP-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1314471154 ZKAIKCAIIISUNJ-FQEVSTJZSA-N 401.467 1.353 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1314638373 CBNQOJXWEDFWJC-GOSISDBHSA-N 420.477 1.007 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1314638455 DVMABWKMJGIKSC-GOSISDBHSA-N 404.478 1.980 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cccc(C#N)c1 1315070813 MMULNAGIMNVUEA-MRXNPFEDSA-N 404.496 1.187 30 10 HDEE CS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316350561 XCVWXNDFUYZKDZ-MRXNPFEDSA-N 420.564 1.152 30 10 HDEE COc1ccc(NC(=O)c2cc(C)c(C#N)cn2)cc1S(=O)(=O)N1CCOCC1 1348976166 CTZZHHUTYJHIGK-UHFFFAOYSA-N 416.459 1.544 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 1352439968 IAAHDGCXBVWVMJ-UHFFFAOYSA-N 401.901 1.326 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1357975694 PXRPPGOURIDEDQ-UHFFFAOYSA-N 412.393 1.461 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1358910829 CNZGXBZVDBISOH-KRWDZBQOSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1358931929 STZLOKWAKZGBKS-UHFFFAOYSA-N 424.549 1.501 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1358995090 FBHAIIUFNCSQQM-JPYJTQIMSA-N 408.502 1.880 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC(=O)N2)CC1 1359037018 RKWGYRMVBWTBAN-OAHLLOKOSA-N 414.460 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)C2CC2)CC1 1359046156 GWZJBBHTQWCYQG-FQEVSTJZSA-N 422.533 1.655 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1359054565 ZNWVBYKXTXNRJC-UHFFFAOYSA-N 405.549 1.720 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359331692 GFYVDMHKALVOIU-DNVCBOLYSA-N 410.540 1.531 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1359471285 OYEYGYAHFIYBJL-ZBFHGGJFSA-N 420.468 1.687 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1CCC(=O)N1 1360258394 NECCKCOMOSPTGF-KURKYZTESA-N 421.505 1.438 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(F)c(N3CCOCC3)c(F)c2)n1 1436121869 VTMIQCZSAVFZGF-UHFFFAOYSA-N 418.444 1.920 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1439526969 RTVQRTJZMSJXQU-CYBMUJFWSA-N 404.533 1.408 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 1442638795 QRHFBEKVUFMQLN-INIZCTEOSA-N 409.508 1.388 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1c[nH]c2ccc(OC)cc12)c1cc[nH]n1 1443841625 BPKQRUXKWPOZPN-UHFFFAOYSA-N 413.434 1.542 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(C)(=O)=O)s2)c1 1447682623 LKFPJORCMYUFDG-UHFFFAOYSA-N 411.526 1.879 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1458030511 YSINCAHPSHQNMT-UHFFFAOYSA-N 408.476 1.228 30 10 HDEE N#CCCN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)CC1CC1 1459611690 UJRJEYDCPNOZQR-BOPFTXTBSA-N 413.503 1.860 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3CC3CCOCC3)CC2)o1 1460897419 RIULLBQRTGFEDO-SFHVURJKSA-N 417.510 1.021 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C[C@@H]3CCCOC3)C(=O)OC)cc2C1=O 1462132467 XDSJWLGMFRGVFX-SUMWQHHRSA-N 400.431 1.557 30 10 HDEE C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1464155246 KMESIXXNHSNMFH-GFCCVEGCSA-N 412.817 1.739 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)c1 1464845786 GLGRSBKIMVFQBB-UHFFFAOYSA-N 400.504 1.175 30 10 HDEE CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@H]1CCN(S(C)(=O)=O)C1 1466496897 GDKFKKZJSSMGBR-LBPRGKRZSA-N 401.286 1.818 30 10 HDEE CN1CC[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[C@@H]21 1471214487 HYKURGLHHCULAS-QUCCMNQESA-N 416.547 1.512 30 10 HDEE CC(C)CCN(CCC#N)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1472522774 BGAHDQPPAFSFPR-UHFFFAOYSA-N 400.483 1.779 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1473857710 CCZVRDCWEHFXQD-HIFRSBDPSA-N 404.492 1.335 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1)C1CCOCC1 1476248685 OHCGYWCYFHWAQO-JKSUJKDBSA-N 406.508 1.670 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1477806174 ZEIQLSRFZNTNRN-GFCCVEGCSA-N 420.315 1.356 30 10 HDEE CCO[C@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)CN(C)C 1479267943 MNBHRUVAZYOSJX-GOSISDBHSA-N 410.522 1.905 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1507532572 FSJYRKXQXJEWJI-MAUKXSAKSA-N 424.505 1.688 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H](C2CCC2)C1 1507573004 BZTCNGMLCAFEBW-WBVHZDCISA-N 409.556 1.555 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507635632 YAQHWCQEGBUIMQ-ROUUACIJSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1 1507652846 JQHLUWXCHALKDK-QGZVFWFLSA-N 400.479 1.635 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cnnn1 1507671022 FRHKXTUYOZBTTF-IBGZPJMESA-N 418.461 1.330 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1507751173 LHGGXVFIOCWJKE-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1508018415 DVOAKNHHHWLZAU-CQSZACIVSA-N 406.512 1.547 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(F)cn2)CC1 1508082993 YFCLATZGZOAHBD-UHFFFAOYSA-N 424.484 1.447 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC)C1 1508128453 NXLWPYJQBITWOE-HNNXBMFYSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](CC(N)=O)C1 1508134358 RUPYRHVJBMNHLP-OAHLLOKOSA-N 421.523 1.539 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1509663585 YUYHYMZHQBPVKT-JLTOFOAXSA-N 401.515 1.461 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1512526516 CRHPAXBFOMRIJX-YLJYHZDGSA-N 410.522 1.889 30 10 HDEE CCO[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H]1CCOC1 1516183179 ASPWVYXTDRDTJK-NZNJNXGPSA-N 409.508 1.880 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1516858608 LAVYJEIGPHXJOL-ACSYHNTCSA-N 412.519 1.302 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517674782 YCFMTEIQHHVNCD-IAFNSTAXSA-N 416.482 1.002 30 10 HDEE C#CCOc1ccc(CNC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)cc1 1526046204 LYBKJEPOIVSKLZ-UHFFFAOYSA-N 409.486 1.932 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N(CC#N)c2ccc(Cl)cc2)n(C)c1=O 1530317530 HKZJZESLPCGWBX-UHFFFAOYSA-N 400.826 1.034 30 10 HDEE CN(CC(=O)NCc1ccc(CC#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1537510069 FUWMKIYOGPLPFE-UHFFFAOYSA-N 402.432 1.598 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnc(-c4ccccc4Cl)nc3)C[C@H]1CS(=O)(=O)C2 1538540065 PVIFIRIORFKKOY-UGSOOPFHSA-N 402.863 1.807 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1539142594 UYMYSJNWYZFMPZ-FHWLQOOXSA-N 414.510 1.517 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1539533506 RFOANSPPGZHYSR-HXUWFJFHSA-N 419.551 1.331 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539751352 LOCBYRQCGPZAOY-DYESRHJHSA-N 416.526 1.860 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)CC1 1539847981 JVLWKUKOFBXFHV-OAHLLOKOSA-N 407.540 1.382 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)nc2)C1 1540881496 KSWJDBHKODEJEO-KRWDZBQOSA-N 413.526 1.707 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1541117464 HDIXWOSRYBCFCS-INIZCTEOSA-N 419.489 1.772 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COc3ccccc3C2=O)s1 1545811542 YIQZTQDBIADXAB-CQSZACIVSA-N 406.485 1.515 30 10 HDEE CCN(CC)CCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1547495161 FWLOJHINGOIWDY-RXVVDRJESA-N 420.558 1.779 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H](C)COC 1548169103 CFYQAYLERLGYFW-OAHLLOKOSA-N 416.530 1.337 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1548184992 IWFVBERURZXFRU-FUHWJXTLSA-N 410.478 1.596 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCOCC1 1558417306 ABLBBWMCFHIXKG-UHFFFAOYSA-N 404.410 1.672 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC 1568154299 FXZSGQLUYLSIIM-KRWDZBQOSA-N 403.284 1.768 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(C(=O)C(OC)OC)CC2)cc1OC 1584169846 HBRHRYWQFIEENU-CLFYSBASSA-N 404.463 1.563 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@](C)(C#N)C3CCCCC3)c(CCO)c2=O)n1 1586348436 GVXKOWMPCUEVLA-OAQYLSRUSA-N 412.494 1.700 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1587808187 NSHOVUBGOUFTRT-IAGOWNOFSA-N 408.572 1.366 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1587921616 DACFSJFNADAIPG-WMQCIHAUSA-N 404.511 1.726 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1588750445 DHEXRVQBIJROIP-SFHVURJKSA-N 400.552 1.477 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1588843721 FKUXHCFOGZXHCP-LSDHHAIUSA-N 416.565 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C)COC2)CC1 1588890487 AGHIXZXSKOIZGT-MRXNPFEDSA-N 419.526 1.004 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(F)(F)F)CC1 1588962180 XRCZNZZXOONLNA-UHFFFAOYSA-N 423.443 1.668 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1589059056 ANKSHFBRDCPSDM-GOEBONIOSA-N 401.492 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589495960 UVRJCSIZBSPWFS-PTSWNOGYSA-N 402.499 1.382 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1593690373 LBYZWQUJAGOVBV-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1593884063 BFOGRZHYENWJPM-CYBMUJFWSA-N 423.992 1.553 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccsc2)C1 1595674188 NRRNADPVPCTHQA-UKRRQHHQSA-N 411.553 1.779 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1596696219 UTKHFYBZWRKPND-SJORKVTESA-N 410.434 1.457 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1596830987 HHPFVRSQCZPVLO-JYCPIGSLSA-N 413.569 1.077 30 10 HDEE C=CCN(C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597170697 NFSSNHLKMMZNPQ-IUODEOHRSA-N 410.496 1.403 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC3(CC2)CNC(=O)C3)n1Cc1ccc(C#N)o1 1608446582 GOPOTUIOYPBLPN-UHFFFAOYSA-N 411.466 1.036 30 10 HDEE CN(C)[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)c1ccco1 1617632568 GXBSGCBGVAGTEE-KRWDZBQOSA-N 405.462 1.649 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1617948137 YZFVIOMXTCJUJR-MRXNPFEDSA-N 406.479 1.431 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCOC1 1619899590 CECALHWQIWXMKJ-RBUKOAKNSA-N 424.505 1.790 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)C1CC1 1620111594 ZODQMSXIJMUQKB-ONIAQPFYSA-N 404.515 1.214 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)c1 1621795025 OFNUSTCUIAYHBY-KRWDZBQOSA-N 407.488 1.666 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)NCCN3CCC4(C3)OCCO4)n2)c(Cl)c1 1623279300 FXKCRWSZDYBODQ-UHFFFAOYSA-N 416.869 1.968 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)NC[C@]34COCCN3C(=O)COC4)o2)cc1 1624460725 CRWSTFHTFPMQNM-OAQYLSRUSA-N 411.414 1.088 30 10 HDEE Cn1ccnc1[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1624587498 DYMVLYSTLWCIJX-WBVHZDCISA-N 406.446 1.513 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)cc1 1624669186 DBOPBJKIISZTIQ-YADHBBJMSA-N 412.534 1.472 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)N2CCCCC2)CC1)C(=O)OC(C)(C)C 1628940641 LQABMDVMFREOCI-UHFFFAOYSA-N 406.527 1.013 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1631792114 BVBWVLNVGBCSRB-UKRRQHHQSA-N 404.410 1.816 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CCO2)c1 1632183263 GSVDFSGHWBXHEW-IBGZPJMESA-N 415.471 1.575 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@H](CO)NC(=O)c1cccc(F)n1 1635217925 ZODRVSVTFZLOOU-KRWDZBQOSA-N 403.458 1.694 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C(=O)OC 1635630670 PFKDZRLTEGOEHU-AWEZNQCLSA-N 400.435 1.632 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](O)(C(F)F)C1 1635929058 DFCLOUJZFLSMSC-SCLBCKFNSA-N 415.462 1.512 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)CC1 1638656939 ZYUWBBMTHVMYLC-UHFFFAOYSA-N 417.325 1.900 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2CCN(C(=O)OC)CC2)s1 1640230233 XNHRTJRHYDAGQF-UHFFFAOYSA-N 415.537 1.350 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1nc(N(C)C)ncc1Br 1640921032 ZGXHPEDYVHMCHJ-CQSZACIVSA-N 404.268 1.982 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1641030782 YPGFPWOSPLLICB-OAQYLSRUSA-N 413.478 1.874 30 10 HDEE C#C[C@@H](CO)NC(=O)Cc1cc(Br)cc(I)c1 1641573899 APRCFEYZLGZCDS-NSHDSACASA-N 408.033 1.707 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1641843463 PDDGLKHTOZADKS-INIZCTEOSA-N 416.455 1.984 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1645085357 OHAMNDSPOWRHLY-BZZMCLGOSA-N 409.490 1.920 30 10 HDEE N#CCOc1cccc(CC(=O)N2CCn3ncc(I)c3C2)c1 1646418201 STDNPJCFRFNQJQ-UHFFFAOYSA-N 422.226 1.975 30 10 HDEE C=CCN1CC[C@@H](N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)C1=O 1647859943 AEAZREAFXQAVNR-IERDGZPVSA-N 401.511 1.891 30 10 HDEE Cc1ccc(C(=O)NC2CCN(c3ccncc3)CC2)cc1S(=O)(=O)NCC#N 1648001990 HPWYLTCJSDVQKK-UHFFFAOYSA-N 413.503 1.591 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](CN4CCOCC4)C3)n[nH]2)c1C 1648037627 PVYUZSWZTAGRKN-QGZVFWFLSA-N 414.510 1.249 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](O)CC23CCC3)CC1 1654785961 RIAQPQNVFPHRIS-WOJBJXKFSA-N 400.498 1.914 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCC(S(=O)(=O)N4CCCCC4)CC3)C2=O)cc1 1654881407 BKTZKDVYAJQJTQ-FQEVSTJZSA-N 416.547 1.944 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3cncc(Br)c3)C2)cn1 1663438770 GKOKUITWLNXNFZ-ZDUSSCGKSA-N 409.265 1.953 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1674845941 HUFABRHCABIERL-MGPUTAFESA-N 419.503 1.722 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1674887506 HGNDFMSIYCOVIN-CYBMUJFWSA-N 413.462 1.413 30 10 HDEE CCOC(OCC)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1676924263 YPQACSCNTBRVFM-OAHLLOKOSA-N 424.523 1.362 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCCC1 1680778950 PAAUMKJODKXBRL-SFHVURJKSA-N 411.506 1.607 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1689824340 NENCQOOLJFYFIK-INIZCTEOSA-N 409.494 1.248 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1689965713 BSZNFNBMZWFGEK-INIZCTEOSA-N 420.514 1.182 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988717 VBQYBGOFOPTYOY-GDBMZVCRSA-N 407.540 1.087 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(COC)cc1)[C@@H]1CCS(=O)(=O)C1 1689991704 BIHYLTSMVFEOJU-GOSISDBHSA-N 402.520 1.662 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689998527 ONYULPXHYGLRNO-FRQCXROJSA-N 410.540 1.163 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn2ccc(C)cc2n1 1690045989 UZROXWOWLSGGRH-GOSISDBHSA-N 401.474 1.697 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(OC)C1CC1 1690103632 FFPJYAHRKZSIMW-HNAYVOBHSA-N 410.540 1.081 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)NCC(F)F)CC1 1690136236 CDIRXSGZYXWYDM-CYBMUJFWSA-N 410.469 1.139 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)CC1 1690170009 WEUJZICIAGMZAE-UHFFFAOYSA-N 411.457 1.786 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1690330181 CMDMOYZEFNECQJ-OAHLLOKOSA-N 407.906 1.871 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690351392 RMEGOXHRGRSMHQ-HNNXBMFYSA-N 408.934 1.894 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1 1696839506 ZYKFOSQAGVRIPA-OAHLLOKOSA-N 403.508 1.724 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1696999500 GWJVDWHHTLFBLB-UHFFFAOYSA-N 407.478 1.059 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC1CCN(CCN(C)C)CC1 1705579963 AKEUNCUFAHGICV-UHFFFAOYSA-N 419.577 1.995 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705828220 GUQDEOVRLJBWDI-JXFKEZNVSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N1CCOCC1 1705838865 FNWORYMWIJEXSO-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOCC2(CCC2)C1 1705894802 LWSJRNMABVLDDD-UHFFFAOYSA-N 418.542 1.506 30 10 HDEE CC(C)(O)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706204868 XMCZWMMDTRKDEF-MSOLQXFVSA-N 408.506 1.915 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)COCCO1 1706960328 XFXDHOVLVNRSRS-QFIPXVFZSA-N 424.505 1.714 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1711270296 HUTKLFAIKXBNOO-SCLBCKFNSA-N 401.858 1.201 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)c1 1712878182 IFXNDTBYYHMPRS-FGTMMUONSA-N 410.478 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1722274154 CZTAZSPAJNFRTO-SFHVURJKSA-N 424.549 1.961 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722336824 PYQCCDWVIZGNOL-QGZVFWFLSA-N 422.489 1.311 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722362334 NEVNWEDKDZZZBT-MRXNPFEDSA-N 418.519 1.351 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCNC(=O)C1 1722694444 VYLULUGPRNJGCB-CYBMUJFWSA-N 414.535 1.370 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C(C)C)C1 1722713611 IFVLWLMXVOPQLX-HOTGVXAUSA-N 404.515 1.173 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1723662916 HSNIOXIVKRIGON-VWKPWSFCSA-N 418.542 1.972 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)C2)n1Cc1ccc(C#N)o1 1723936349 ZUVUDSSWDDEUGI-JTQLQIEISA-N 400.411 1.247 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)C2)n1Cc1ccc(C#N)o1 1723936350 ZUVUDSSWDDEUGI-SNVBAGLBSA-N 400.411 1.247 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2c(C)nn(C)c2C)CCOC1 1728794274 HFKHVANNAAZAIK-VQTJNVASSA-N 417.489 1.771 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CCO1 1730589351 BUCQVVBGTSVFSK-SFHVURJKSA-N 413.478 1.210 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC 1740556989 XKWOGRJJEHUXAB-OAHLLOKOSA-N 400.508 1.409 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1740612794 IPZFOZNNTZQGGG-UHFFFAOYSA-N 415.519 1.085 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1740627837 SRRRZMMAYAXTQH-KRWDZBQOSA-N 401.536 1.855 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)cc1C 1740687580 BVNCRYMKNJQAME-UHFFFAOYSA-N 424.549 1.909 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC=CCC2)CC1 1740700750 GPXBPGAIIOBLML-PMACEKPBSA-N 414.554 1.019 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740957721 YPPOWDSGFUQOPE-AEFFLSMTSA-N 413.526 1.122 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)no1 1742134100 BOVXSZPCZNXNEO-CYBMUJFWSA-N 409.450 1.774 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1748710290 LVOJYQMQPBBNIC-ROUUACIJSA-N 412.538 1.775 30 10 HDEE C#CCN(c1nnc(C)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805481 SHBSOYLLCNDPCY-KRWDZBQOSA-N 401.492 1.242 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1748809617 OUTBUSYFHSHTPX-GOSISDBHSA-N 410.503 1.354 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1749023425 ROJVVLGFFGGFSB-UHFFFAOYSA-N 401.540 1.893 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C(C)C)CC1 1749032935 VPHBTGPAGXYMFO-UHFFFAOYSA-N 415.567 1.786 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1749141839 KPERWTLCPGPSGW-HNNXBMFYSA-N 418.523 1.763 30 10 HDEE C=C(Cn1c(-c2cnccn2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1749244114 FMEAXEXROHQMIO-UHFFFAOYSA-N 419.489 1.744 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749640813 HNGHCRQWHNRATO-FQEVSTJZSA-N 413.503 1.930 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1749649973 FGAFOLMDXKLIDC-AWEZNQCLSA-N 410.469 1.590 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCOC2)nnc1[C@]1(OC(C)C)CCOC1 1749681716 GPLDJDPDUMZGMU-UZLBHIALSA-N 407.515 1.094 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1749740528 GDKVUNJLNCYTTM-UHFFFAOYSA-N 420.539 1.512 30 10 HDEE C[C@@H]1CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1752191250 VVSPSKVXOBRLTL-CZUORRHYSA-N 420.495 1.113 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1760144995 GEGNFXMQGUFGBQ-CQSZACIVSA-N 405.528 1.204 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)N(C)C)CC1 1760154092 OFTUWGDTYMGUCF-UHFFFAOYSA-N 412.513 1.632 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1760233088 QPCZTISKGLAFFN-HOTGVXAUSA-N 404.515 1.850 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CCCN2CCN(c3ccccc3)CC2)CC1 1760256972 MLPGQIWBLSPNFW-UHFFFAOYSA-N 407.566 1.554 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1760355722 TZYQVEWUJWIQDD-GOSISDBHSA-N 424.509 1.738 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1760456153 IDQZQJHNAWWXKW-ZIAGYGMSSA-N 407.496 1.351 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCSC2)C1 1760550011 QEGDQWZSAFYAKA-BEFAXECRSA-N 407.540 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CCOCC1 1760557256 FTZSHZNSMJOXER-UHFFFAOYSA-N 406.508 1.603 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1761283094 HZTGTTYQFVGREK-UXHICEINSA-N 420.489 1.287 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCOCC1 1768633197 DGVGBQAJLMHXGN-LJQANCHMSA-N 424.505 1.539 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CC#N 1769393632 IOVVDHHORAEMAC-KEYYUXOJSA-N 404.471 1.923 30 10 HDEE COCCOCCn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1770153918 ZKQMEYRTPHYUBB-UHFFFAOYSA-N 401.471 1.313 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1770460139 CDCTZYQEDRJSIU-HRAATJIYSA-N 410.478 1.085 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)C[C@@H]2C)n1Cc1ccc(C#N)o1 1771214902 GIJJDCVVRVCRHW-LSDHHAIUSA-N 416.482 1.572 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CC3)n2CCCn2cc(Br)cn2)CCO1 1771536950 FJTBALNRUNLXML-AWEZNQCLSA-N 406.288 1.934 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC[C@@H]1CCS(=O)(=O)C1 1848912964 LUVORVPQZQORHQ-AZUAARDMSA-N 409.548 1.946 30 10 HDEE N#C[C@H]1CN(C(=O)CCCN2CCS(=O)(=O)CC2)C[C@@H]1c1ccccc1Cl 1850415011 IWAXNGJKFRIDSN-RDJZCZTQSA-N 409.939 1.916 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851153071 LIRAPNYZDMFFGH-UHFFFAOYSA-N 403.338 1.153 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1851347745 MOEURRPEGLXGBN-CQSZACIVSA-N 416.956 1.826 30 10 HDEE CCOc1ccc(CN2C[C@H](C(=O)N=c3nc[nH]cc3C#N)CC2=O)cc1OCC 1852112298 NRQSZCWYBBCULT-OAHLLOKOSA-N 409.446 1.555 30 10 HDEE CCCn1c(C(=O)N(c2ncccc2C#N)C2CCC2)cc2c(=O)n(C)c(=O)n(C)c21 1852659774 HIOHCZFLAAVSDT-UHFFFAOYSA-N 420.473 1.915 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2nccc3ncccc23)C1=O 1853804313 GZVQUFDQTKRCHU-ROUUACIJSA-N 407.474 1.480 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccc(OC)nc2)C1=O)[C@@H]1CCN(C)C1=O 1854131091 BSEXMXUKBRRCPO-DLBZAZTESA-N 400.479 1.330 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(=O)N(C(=O)[C@@H]3CCOC3)c3ccccc32)cc1 1854479453 DKPQQUBFVKBCPN-OAHLLOKOSA-N 411.439 1.663 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CC3(CCC3)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854640984 OJULGQVGPKEKHQ-CQSZACIVSA-N 401.488 1.887 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)C1 1854660701 VZTCXMWTCCGMMV-HZPDHXFCSA-N 404.536 1.862 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2=O)CC1 1854813225 DAGPVRZYOZIHGH-GOSISDBHSA-N 405.520 1.720 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854837060 DMNCAOGFTQGBAW-DYESRHJHSA-N 400.454 1.582 30 10 HDEE CCOc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)nn1 1855178325 YMQAIJYUWOSEFV-AWEZNQCLSA-N 407.430 1.303 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCN(Cc4ccccn4)CC3)C2=O)cc1 1855641656 RXYYKVMAZCOATL-NRFANRHFSA-N 403.486 1.441 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1855647034 KYJJYQCVTVPCSP-KRWDZBQOSA-N 403.504 1.993 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1 1855682581 MTLBSAWKRHAVQM-HIFRSBDPSA-N 406.870 1.737 30 10 HDEE C=CCN1C[C@@H](C)C(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856061152 OAQDPPGYLQZPPM-CQSZACIVSA-N 403.504 1.612 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)s1 1856346936 BPSAGQZODMFQDQ-GFCCVEGCSA-N 400.426 1.817 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C1=O 1856349626 ZADOTSDCPMDUKT-IBGZPJMESA-N 407.474 1.658 30 10 HDEE Cc1c(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)nnn1-c1ccccc1 1856525742 ZLPMLOHSWZFXIG-FUHWJXTLSA-N 404.474 1.943 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CCC[C@H]3Cn3ccnn3)CC2=O)cc1 1856679609 JTVOWILRWCQDMQ-PMACEKPBSA-N 406.490 1.622 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043071 KAFGHVHXORNBLG-CVEARBPZSA-N 401.504 1.701 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2c(F)cccc2F)C1=O 1857147545 QWSUOKIYIUKTLQ-INIZCTEOSA-N 412.400 1.188 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@@H]1CCN(C)C1=O 1857237321 YXIRFJBSTQMTMT-TZMCWYRMSA-N 408.861 1.582 30 10 HDEE CCc1ccccc1N1C[C@@H](C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857325808 ZVWCPHRVOKLLIV-ICSRJNTNSA-N 408.502 1.965 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C1=O 1857485049 AUYVQYQHYCDGME-IRXDYDNUSA-N 423.510 1.614 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N(CCO)[C@H](C#N)c2ccc(F)cc2)cc1 1857960066 DKXZQTDNKONBHE-GOSISDBHSA-N 405.451 1.775 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1 1858078808 YYZXBJYRSLFHIU-UHFFFAOYSA-N 412.515 1.571 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccccc3C#N)C2)s1 1858424661 FFRLXRIQMCNGMJ-LBPRGKRZSA-N 420.476 1.017 30 10 HDEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107469 KGSIRELYKCPZKD-UHFFFAOYSA-N 418.388 1.962 30 10 HDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H](C)O)CC1 1870349354 KNWGAQQIOCQADZ-QGZVFWFLSA-N 424.501 1.344 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCN(C)C 1870480287 UHCSXYYJYQEDQZ-UHFFFAOYSA-N 421.538 1.542 30 10 HDEE C=CCN(CCC(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885964635 BUFBNFKRGIXQEA-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE COC(=O)c1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890123393 RTFXBVPSPLHYLB-UHFFFAOYSA-N 413.518 1.345 30 10 HDEE COc1ccc2c(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc(OC)nc2n1 1891558607 BTFXJJBZUDJPCZ-CYBMUJFWSA-N 420.429 1.992 30 10 HDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS)C(=O)O 1892297244 OBGFNVYAQHEDNK-YUELXQCFSA-N 412.508 1.984 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1ccc(C#N)c(Cl)c1 2118162159 HBUVLVOJDQPYBY-UHFFFAOYSA-N 403.888 1.719 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1 2123461254 LCZCISMVOZIMLL-COPCDDAFSA-N 400.475 1.789 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174781992 LIBWZMSRDOXMFV-GJZGRUSLSA-N 401.529 1.920 30 10 HDEE C#CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 2180113503 QRTGABOHLYZNIC-OLZOCXBDSA-N 408.467 1.431 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)ONC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180136728 DBEOUFCIBRECSX-LSDHHAIUSA-N 402.513 1.506 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)(CCO1)C2 2195307756 ZYRRFLRKNRVXBG-NVWNAPEYSA-N 402.513 1.728 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243394410 HJARNVLENBMXTO-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243425016 CDTFDYSJNKRLJX-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCOCc1ccccc1 2243425938 SBEIENSOIQLJIA-UHFFFAOYSA-N 400.288 1.451 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674307 HRLJVWOFHJLWKW-JLTOFOAXSA-N 408.304 1.667 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=S3(=O)CCNCC3)c2Cl)OC1(C)C 2267109344 OJIRGYKTJNQSAB-UHFFFAOYSA-N 404.750 1.912 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCC[C@H]3N)cc2Cl)OC1(C)C 2267355044 FNAANSUCAXZYCG-GHMZBOCLSA-N 406.766 1.859 30 10 HDEE C[S@@](=O)CC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267722420 XFSIAJDOBXTYKC-XMMPIXPASA-N 405.372 1.046 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282025827 UKZFMOYJSYOVKK-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282315661 QSXLLIZAXYWBCG-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCNC[C@@H]1C 2282316567 FCECZRMVQZPTBV-WCQYABFASA-N 400.375 1.632 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C1CC1 2282330287 XNCQQGONEQYZQQ-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE COC[C@](C)(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282331293 LWWYSUSSXIPHJA-INIZCTEOSA-N 405.347 1.377 30 10 HDEE C[C@@H]1SCCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334620 DTLFNOXFKGZXRY-AAEUAGOBSA-N 401.363 1.282 30 10 HDEE CC(F)(F)C[C@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282348819 PVQBHBNKJHXCRZ-SNVBAGLBSA-N 411.301 1.732 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(C)CSCCO3)c2)OC1(C)C 2282351344 ZGMRDAIWPQOQMM-INIZCTEOSA-N 419.399 1.848 30 10 HDEE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491946 PCHZPZRTNJCOSQ-LBPRGKRZSA-N 401.315 1.373 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCCNC2)c1B1OC(C)(C)C(C)(C)O1 2282501785 BSIWHSUPYPKLNZ-ZDUSSCGKSA-N 400.375 1.694 30 10 HDEE C[C@@H]1[C@H](N)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828355 MYEVSYREWQBNDT-BXUZGUMPSA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)[C@@H]1C[C@H]1C 2282829525 GCMVMYYOOLZLFR-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC[C@@H](O)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282844489 DQJKHTWAVHVDID-GFCCVEGCSA-N 404.363 1.365 30 10 HDEE CN([C@@H]1CCOC[C@@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848253 LECNJKXBUMNRKP-NWDGAFQWSA-N 405.322 1.795 30 10 HDEE CC1(C)C[C@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854258 PIIOYANKYNFZAL-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CCN1CCC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856244 POKRLLGAMRSUNE-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3C[P@](C)(=O)C[C@H]3O)s2)OC1(C)C 2282857822 NHXSUSYOLZEAPN-JEKXNZCQSA-N 421.286 1.062 30 10 HDEE C=C(CS(=O)(=O)N=[S@@]1(=O)CC[C@@H](CN)C1(C)C)B1OC(C)(C)C(C)(C)O1 2282872908 DDAGTIDGHWOXSF-ZJWNCGCPSA-N 406.379 1.729 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@](C)(O)C2CC2)OC1(C)C 2282875440 OWYGJONXEVKLRY-KRWDZBQOSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCC[C@@H]2CO)OC1(C)C 2282878552 HQEIIUAQVJDMHM-QWHCGFSZSA-N 401.359 1.734 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2298461244 LFIPUCSNHWQAFU-VFCRVFHLSA-N 420.315 1.810 30 10 HDEE COc1cccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329056288 ZQCQHGFQUPVZLJ-OAHLLOKOSA-N 403.508 1.978 30 10 HDEE Cn1nc(Br)c(Br)c1[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2341987993 FJJKAQNPQUAVEJ-ZETCQYMHSA-N 412.103 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365203457 JDASXSKYQGHBST-UPJWGTAASA-N 410.483 1.146 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2365206954 KGMZPDUDWHSHKH-DNVCBOLYSA-N 402.557 1.553 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](CNC(=O)OC(C)(C)C)(CO1)C2 2365209090 UPDPHHACANDMAT-ZOCIIQOWSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)COCCN1C(=O)OC(C)(C)C 2367793172 ULWQTZWNBCASFL-MAUKXSAKSA-N 400.541 1.571 30 10 HDEE CC[C@](O)([C@H](C)NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808178 AMUOMUXELOWWBU-KHYOSLBOSA-N 402.557 1.599 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(F)cc(F)c3)CC2)cc1 29119157 ZMJMUSFMRALSRE-UHFFFAOYSA-N 420.441 1.781 30 10 HDEE N#CN/C(=N\CCCc1cnc[nH]1)NCCSCc1csc(NC(=N)N)n1 38497849 HMQLMSXVABCFOJ-UHFFFAOYSA-N 406.545 1.054 30 10 HDEE COCCCNC(=O)[C@@H](C)Oc1c(N)cc(C#N)cc1I 43415365 LZEODEWOQPYGFG-SECBINFHSA-N 403.220 1.665 30 10 HDEE CCn1c(=O)c2ccccc2n2c(CN3CCN(c4ncccc4C#N)CC3)nnc12 96993238 MNYCDOXZJLFSAQ-UHFFFAOYSA-N 414.473 1.653 30 10 HDEE C[C@@](C#N)(NC(=O)CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 384239880 ZJNMZQFRUMDULF-KXBFYZLASA-N 405.476 1.908 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1c1ccnn1C 410286581 IFPLYTYONSPACY-KBXCAEBGSA-N 401.492 1.712 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(C#N)c(O)c2)CC1 442966816 NQDIBJKTBUURAU-UHFFFAOYSA-N 400.460 1.134 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)CC1 468396604 XLGDDGATAQSGTI-IBGZPJMESA-N 416.522 1.292 30 10 HDEE CO[C@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 470323113 FCTNKSWCZSKPOT-ZIAGYGMSSA-N 412.368 1.847 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)NC2CCCCC2)CC1 471777182 ZMQWYHUVEURCGV-UHFFFAOYSA-N 421.479 1.815 30 10 HDEE N#Cc1c(CCCNC(=O)CNC(=O)c2cccnc2)nn(-c2ccccc2)c1N 480111458 SPTARORYCXRXOL-UHFFFAOYSA-N 403.446 1.200 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)ccn2)CC1 487390053 OODYFBQRTDHPFJ-OAQYLSRUSA-N 404.518 1.856 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 499722165 YHROUOWBDVAGJJ-ZWNOBZJWSA-N 402.270 1.331 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(-n3nccc3C(F)(F)F)c2)CC1 501666704 IALFJVALKJNHLM-UHFFFAOYSA-N 421.423 1.951 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCC(=O)N2CCOCC2)cc1 502469158 RKZBPKUSDHGRDN-MRXNPFEDSA-N 402.476 1.037 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)CC1 509473877 UWEQLCYOAYHSEF-UHFFFAOYSA-N 411.506 1.917 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1C[C@@H]1CCCO1 514654598 LOAXKKMBTGXXES-NSHDSACASA-N 421.881 1.130 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCC(=O)NC1CCCCC1 518001975 JLGHEWKDBCHDBO-UHFFFAOYSA-N 402.451 1.087 30 10 HDEE C[C@H]1C[C@@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 542303701 OMQLLEQZFPWQTM-IRXDYDNUSA-N 420.535 1.779 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 542451438 BYBQIVPNAUJVGG-SFTDATJTSA-N 418.501 1.997 30 10 HDEE C=CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 545284578 CIPYWTHXSXRIAP-CYBMUJFWSA-N 404.891 1.933 30 10 HDEE CCn1nnnc1-c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545512290 TXKZKEMMCYTUTQ-UHFFFAOYSA-N 403.450 1.981 30 10 HDEE CC1=CCN(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 545883437 JXHKHQBYOWXKLT-UHFFFAOYSA-N 417.535 1.226 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCN(C(=O)C3CCC3)C3CC3)CC2)n1 546178887 USTZBMSWAGDCRK-UHFFFAOYSA-N 410.522 1.966 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H](c3cccc(F)c3)N3CCOCC3)CC2)n1 546875101 ULGSDFPKKFVFRU-OAQYLSRUSA-N 409.465 1.814 30 10 HDEE CN(C[C@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1)S(C)(=O)=O 566754732 HLRCWUKXLYEZPT-KDOFPFPSSA-N 401.529 1.378 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916149 LKTXCQFBDINDGU-UHFFFAOYSA-N 402.479 1.575 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCCCC1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784791 HSNJPLJCQDGKQJ-MRXNPFEDSA-N 416.547 1.794 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)cc1Br 618992596 IEKHQBFDMUUJBY-UHFFFAOYSA-N 422.326 1.025 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 727625960 NVAFNQKTCMCVQZ-UHFFFAOYSA-N 420.878 1.657 30 10 HDEE C#Cc1ccc(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)nc1 729007245 RBKALRIGGMMOKE-UHFFFAOYSA-N 407.474 1.790 30 10 HDEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732669246 KFWHALCTSUEEPL-LBPRGKRZSA-N 400.863 1.798 30 10 HDEE C=C(COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 734027450 VXOUWBRDEHIKKN-UHFFFAOYSA-N 420.281 1.976 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)c1 734770582 MUSYYKTYNXRLHN-DENIHFKCSA-N 405.454 1.951 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC)cc2C(N)=O)cc1 737944394 SCHXNBUWYRNLOU-UHFFFAOYSA-N 403.460 1.901 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)CC2)cc1 743113345 DLFXUYHKHKFSAX-DYTRJAOYSA-N 405.524 1.811 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl 747865129 GKBNGJGQQHBIJA-ZDUSSCGKSA-N 420.940 1.406 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2CCOC2)C1=O 751655166 BIRBMNKAVKZRFZ-CJNGLKHVSA-N 408.499 1.614 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 758231782 NHEUWHITWKVHIB-GOSISDBHSA-N 418.542 1.933 30 10 HDEE CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H]1CCN(CC(F)(F)F)C1=O 764744200 BXLDVUJLSDEKFF-ZDUSSCGKSA-N 407.356 1.766 30 10 HDEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 764992116 CQQKYQBATQANBT-HNNXBMFYSA-N 408.553 1.633 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](C)[C@@H]1Cc2ccccc2O1)c1cc[nH]n1 772439813 XSOYXKXHOJPGPX-DYVFJYSZSA-N 400.435 1.544 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774025432 LCYZZBDKEZYAQR-OAHLLOKOSA-N 405.476 1.476 30 10 HDEE C#CCN(C(=O)Nc1nnc(Cc2cccc(F)c2)s1)[C@@H]1CCS(=O)(=O)C1 774038718 ZHUFUMJPTKWHAR-CQSZACIVSA-N 408.480 1.922 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774170116 DSOHRTOINPINPU-RDTXWAMCSA-N 403.504 1.928 30 10 HDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 779711071 AMGRUVQKGMNVGP-HRCADAONSA-N 413.540 1.464 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCCNc2ncccc2C#N)c(F)cc1Cl 795804328 DVNDMBCZUITAIY-UHFFFAOYSA-N 412.830 1.923 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NS(=O)(=O)Cc1ccccc1C#N 796722687 IHIIKSKIMPVJFQ-MRXNPFEDSA-N 423.491 1.530 30 10 HDEE Cc1ccccc1CN1CCC(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)CC1 798743819 DVTXKZQZGZLHKX-INIZCTEOSA-N 410.478 1.343 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)c1 803706639 CLIDJDMKNLXLPM-UHFFFAOYSA-N 403.435 1.175 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 803925834 BYVRWVCCUIDIBN-IBGZPJMESA-N 419.497 1.991 30 10 HDEE Cn1nc(CC(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccccc2c1=O 812680879 KQGRHIRZQROPIP-IBGZPJMESA-N 402.410 1.696 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2OC(F)F)c(=O)n1C[C@H]1CCCO1 916197579 YGHZUNLKLCUDHM-CQSZACIVSA-N 403.410 1.717 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NCC(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1083958968 RMOUEEAQDQMPSI-UHFFFAOYSA-N 423.455 1.737 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1 1129930545 LCYOAHLOENOQPD-HUUCEWRRSA-N 419.507 1.192 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](Cc1cccc(OC)c1)n1nnnc1C 1130824321 IDMYGTSPLCLARG-GOSISDBHSA-N 413.478 1.577 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@H]3CCOC3=O)CC2)cc1 1133137683 WMOBLQXJGBRMKJ-KRWDZBQOSA-N 419.503 1.418 30 10 HDEE C[C@@]12CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C[C@]1(C)CS(=O)(=O)C2 1133197351 UYASUFBILNFQBT-YSGRDPCXSA-N 401.488 1.194 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 1133394922 WXLYACSYOHHRKY-OCCSQVGLSA-N 405.398 1.718 30 10 HDEE N#Cc1sccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1135645560 GIHJUTJGGRQORW-UHFFFAOYSA-N 418.500 1.758 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](C)C1)c1cc[nH]n1 1142444204 OEPBXGXVEONZFQ-KGLIPLIRSA-N 422.482 1.520 30 10 HDEE CON(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H](C)C(=O)OC(C)(C)C 1152151971 XKAHCZVWJBROTB-LLVKDONJSA-N 400.428 1.857 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[C@@H]1C(F)(F)F 1155676296 IJEGLCYFNUNEPW-QWRGUYRKSA-N 402.377 1.454 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1158280829 LIIXIGXGGLSQEI-QGZVFWFLSA-N 424.519 1.644 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1158986137 FKNSXXLJAAKPQA-FUHWJXTLSA-N 410.561 1.775 30 10 HDEE C#CCC1(O)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1175854067 MLKVFHKGAJDJBR-HJWRWDBZSA-N 411.502 1.277 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1)C(=O)OC 1191202073 QWHSWPBQZUHZGT-ZDUSSCGKSA-N 403.254 1.251 30 10 HDEE C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198070244 AWUVCYKQHXEVRT-FFSVYQOJSA-N 401.410 1.903 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)nn1 1204220234 BXVXSBGXYVHVRT-UHFFFAOYSA-N 419.507 1.132 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3c(F)cc(F)cc32)CC1 1251533841 UJOKDFIQRLMJER-QGZVFWFLSA-N 412.462 1.137 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1278103893 OFDICOVWMYVFIC-SFHVURJKSA-N 422.411 1.677 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1286272301 AXRNMHWPPMFKBU-BXTJHSDWSA-N 417.535 1.180 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1286280210 UWYVRYCUUNYNRD-GOEBONIOSA-N 404.492 1.222 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1286291844 YQPRNNJJDMGZLB-CQSZACIVSA-N 407.478 1.128 30 10 HDEE C#CCCCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1286335560 QYUBICYYKHPENO-UWJYYQICSA-N 403.527 1.837 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCCO2 1286399135 ZJJGHSRWQIOVJY-UHFFFAOYSA-N 407.474 1.699 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286505240 YQLMEASPNYDQOT-HNNXBMFYSA-N 407.565 1.663 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O 1286562809 TUSHYVBTCQYUCE-ZBFHGGJFSA-N 408.528 1.240 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286606358 NKTQTBLSZMUJEN-ZBFHGGJFSA-N 403.483 1.806 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1286645929 JMFFVIZECOCKGG-DLBZAZTESA-N 409.556 1.753 30 10 HDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1286709379 RQDLNTUFNPLCCE-GOSISDBHSA-N 415.494 1.498 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)n(C)c1=O 1286773971 WIBFOAHTWGVNGD-SFHVURJKSA-N 401.511 1.866 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1286785432 FJTYECVKFBEMNL-WBVHZDCISA-N 412.469 1.664 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)C1 1286787351 STCWLIIDRBBTMM-AWEZNQCLSA-N 407.478 1.340 30 10 HDEE Cc1ccc(OCCCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1289840987 HIVILFPPLFQURR-LJQANCHMSA-N 424.505 1.907 30 10 HDEE C=CCC[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OCC 1298021620 TXUIAPWHGSEZRZ-HNNXBMFYSA-N 407.492 1.595 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)CC)C1 1300402820 DONGDGGCQFLXMP-HNNXBMFYSA-N 412.494 1.914 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(C)CCC)C1 1300410527 ODSRIYPKZCEXBV-ROUUACIJSA-N 407.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCNC(=O)C2CCC2)CC1 1300692466 GEBBKMITPHGSML-UHFFFAOYSA-N 407.522 1.402 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCOCCN(C)C)CC1 1300726499 OWKBSYZFMRIGMN-UHFFFAOYSA-N 418.586 1.411 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1300731116 CEXJQGJFXYMLTD-HOTGVXAUSA-N 407.540 1.121 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](OC)C1 1300770314 SNEPZJWRWIMVRW-AWEZNQCLSA-N 405.549 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cccn1 1300780301 PBAPUNGFJNSDBU-CRAIPNDOSA-N 405.528 1.167 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300881168 MROXMSIGWDIVEQ-ZOBUZTSGSA-N 418.523 1.340 30 10 HDEE COC[C@@H](F)Cn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301067071 DWXDXTSRGBIICW-INIZCTEOSA-N 416.505 1.455 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1301272141 CBZARDLWMJVYEZ-GFCCVEGCSA-N 414.919 1.638 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301272552 HVBXRFNDCITUOZ-QWHCGFSZSA-N 424.493 1.395 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1301951539 AYMUORDZCNFDTC-UONOGXRCSA-N 408.503 1.866 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CC2CCN(C)CC2)cc1 1302218060 KGFBBCLZIVUXHJ-UHFFFAOYSA-N 407.536 1.029 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2csc(S(N)(=O)=O)c2)ccc1F 1302684104 LCGCAYPIJRRFJJ-UHFFFAOYSA-N 419.481 1.251 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCc2ccco2)cc1 1302988927 DVKDZFZBTCOEGZ-GOSISDBHSA-N 417.429 1.455 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3cnc(C(N)=O)s3)C2)C1 1303466635 LOUVQBWJJFHSJK-ARAINJGVSA-N 405.480 1.967 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1304637828 DLFHBGGFUHYWCH-HNNXBMFYSA-N 406.450 1.041 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1305206587 RFHXTHGFDTWJOJ-ZYSHUDEJSA-N 413.478 1.494 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 1312890376 MVMTVEPWBUSBBQ-UHFFFAOYSA-N 408.480 1.975 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C[C@H]1O 1315112951 LVRQUMJYINLEBF-DAXOMENPSA-N 401.423 1.003 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N(C)C)c1 1316100826 ASIAZABAUGVMJR-GOSISDBHSA-N 411.510 1.710 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)C1 1320033613 ICQQNNPXTNRVML-SFHVURJKSA-N 408.520 1.687 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1358871919 LYJCBRMVYLXFDV-GJZGRUSLSA-N 410.482 1.847 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)OCCc2sccc21 1358949106 SPDWXXVHERPIHF-AUUYWEPGSA-N 420.560 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC=C 1358974093 QQSUNDRSNOCGIP-UHFFFAOYSA-N 403.895 1.667 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359081483 CIFLQFNWKXXJJG-DGCLKSJQSA-N 404.272 1.359 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1359227155 UYQPQBUWQKZMKT-AWEZNQCLSA-N 416.448 1.506 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](COC)C1 1359293301 MNJOJNLLVZXIDC-LBPRGKRZSA-N 423.315 1.811 30 10 HDEE C#CCN(C(=O)c1cncc2nc(C(F)(F)F)n(C)c12)[C@@H]1CCS(=O)(=O)C1 1359871975 VZJQBPIUOCYNBU-SNVBAGLBSA-N 400.382 1.250 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)C(=O)COc1nsnc1N1CCOCC1 1441950878 TTZMRNOUAFFRAR-UHFFFAOYSA-N 404.492 1.977 30 10 HDEE C=CCOC[C@H](NC(=O)COc1ccc(C=O)cc1Br)C(=O)OC 1448494733 KTILQWWPGZESMU-ZDUSSCGKSA-N 400.225 1.501 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3c[nH]c4cccc(C#N)c34)CC2)cs1 1448904161 HUMAIKDGCLEORY-UHFFFAOYSA-N 415.500 1.951 30 10 HDEE Cn1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c(I)n1 1454250170 VCTGBWHUGBEJSH-UHFFFAOYSA-N 407.215 1.833 30 10 HDEE Cc1sc2ncnc(SCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2c1C 1456226844 YQFZMYOJLATQCU-SJCJKPOMSA-N 422.557 1.797 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)cc1 1456835602 VIQSINWVOZHKMN-IBGZPJMESA-N 404.492 1.320 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)nnc1-c1ccco1 1463115592 SUXWCKUUSXHMPT-OKILXGFUSA-N 422.532 1.709 30 10 HDEE C=CCOCCCNS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1464092957 UYSOXCMDXFPPLO-UHFFFAOYSA-N 412.327 1.724 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCc3nnc(N4CCCC4)cc3C2)c(F)c1 1464105974 DACPRFJJZIXZMP-UHFFFAOYSA-N 405.430 1.974 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1OC)C1CC1)c1cc[nH]n1 1464336403 XNDODBOJSYIGKM-UHFFFAOYSA-N 400.435 1.893 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)NCc2ccc(OC)cc2)c1 1464478660 ZFYMTQHRJSUQOG-UHFFFAOYSA-N 414.483 1.538 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CS(=O)(=O)CCCC)n1 1464712250 PDEFSIDGWBEAKF-UHFFFAOYSA-N 415.566 1.954 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCCN(c2ccccc2C#N)CC1 1464798842 BXWZGINDTZURLK-UHFFFAOYSA-N 414.506 1.693 30 10 HDEE CN(CCN(C)C(=O)COc1cccc(C#N)c1)CCN1C(=O)c2ccccc2C1=O 1468607606 LBKWUULEBUUDQL-UHFFFAOYSA-N 420.469 1.623 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1)[C@H]1CCS(=O)(=O)C1 1471110091 KJONBJXWHBPENT-PMACEKPBSA-N 419.547 1.028 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1471225707 BAPYNUVBASWAGL-UHFFFAOYSA-N 408.480 1.629 30 10 HDEE C[C@@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H]1CN(C)CCN1C 1471600164 HCIGQOZCTDMJOZ-BEFAXECRSA-N 403.502 1.884 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1471851911 NNFNIOOFYVVXNY-RNODOKPDSA-N 414.466 1.388 30 10 HDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1)C(=O)OC(C)(C)C 1472555650 PUDPFEABJQRVIO-UHFFFAOYSA-N 422.507 1.675 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1473618040 DBOSZKMPLTXHFD-YLJYHZDGSA-N 421.567 1.082 30 10 HDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1494026115 RZCBNYYUPVWANI-HNNXBMFYSA-N 418.523 1.514 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2COCCO2)CCO1 1505321542 CBVYSYSYDZYKOX-UONOGXRCSA-N 405.405 1.291 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1507517507 IGEQVPQSIRIXIX-DYESRHJHSA-N 405.543 1.235 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2)CC1 1507723556 MOAXHTVRYLFQHY-LJQANCHMSA-N 424.574 1.918 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCC2=O)CC1 1507750456 VWGOIYVBPYTCIC-UHFFFAOYSA-N 411.535 1.693 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507754263 MLBBJRAVFSTHDP-CABCVRRESA-N 420.539 1.311 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCC(O)CC2)CC1 1507880110 IFEUVAWSUSMEFG-QFIPXVFZSA-N 419.570 1.933 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1507957761 KBKPRHYCEPPUEJ-CQSZACIVSA-N 417.601 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OCC)C1 1508139257 FCYCEDONUVLKSI-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1508144279 OXMFEZXVHGWXIR-IAGOWNOFSA-N 401.536 1.957 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1513032814 WQXAYARJAKRGJH-DOTOQJQBSA-N 408.510 1.663 30 10 HDEE CN(C)CCOCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1517019560 WQPMBEMJGSMZJV-RCCFBDPRSA-N 420.558 1.504 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC[C@H]2COCCO2)cc1 1521095832 RAYWPAKAXXUNMQ-KRWDZBQOSA-N 401.492 1.191 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C 1534708011 DPDJDQACTHGJCU-UHFFFAOYSA-N 403.479 1.629 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C(=O)OC 1535347484 UOKURQJPHUHUIY-RKVPGOIHSA-N 424.519 1.722 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1 1535417356 KAECBIKFQGECKA-LBPRGKRZSA-N 408.252 1.717 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 1538577393 FUMYUHAVFIYYQS-MRXNPFEDSA-N 404.444 1.616 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1539012407 GAHBXZTYIRKMBM-WNRNVDISSA-N 407.584 1.759 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOC3CCSCC3)C2=O)cc1 1539122333 YIKCOGSQEZJABW-KRWDZBQOSA-N 416.503 1.792 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1OC 1539260194 LRFQVFHMIKSWNP-SJORKVTESA-N 407.474 1.778 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1539444885 XBMIETFDJISCCQ-LJQANCHMSA-N 410.570 1.554 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)C1CC1 1539541982 QWGBBPQLYMLUCL-RTWAWAEBSA-N 401.511 1.449 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nc(C)no2)C1 1539981175 DCQNUPVIBDUFBM-ZFWWWQNUSA-N 423.543 1.930 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1540069520 RPNGRGCMTGKBIC-CYBMUJFWSA-N 407.496 1.453 30 10 HDEE N#C[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(Br)cc1 1540672568 UUFKEWTWMNOGKM-LBPRGKRZSA-N 418.255 1.048 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1CSC 1540897291 GBKXAHOLADJMLJ-CQSZACIVSA-N 415.585 1.349 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2cccc(OCC#N)c2)C1 1540997656 NWBKJTGZJUBYLA-MRXNPFEDSA-N 423.491 1.952 30 10 HDEE CC(C)c1nnc(N2C[C@H](C3CC3)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1544640433 LWBHXXIWRIXPNM-IELSJNNDSA-N 414.510 1.932 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1545704374 XUCGHMFRXUZJGA-GDBMZVCRSA-N 402.524 1.964 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1555753516 QJEXJAMSGZAFAR-HCXYKTFWSA-N 418.542 1.463 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)CCO1 1555993371 NICZVIHRMXGXPB-LSDHHAIUSA-N 416.507 1.392 30 10 HDEE N#CCCn1cc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1556503268 NWXFVFVHEIMYOK-QZTJIDSGSA-N 424.461 1.653 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OCC 1556644096 ZYNCBBAYKCDFNQ-CYBMUJFWSA-N 423.516 1.926 30 10 HDEE Cc1ccc(C(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 1558669897 SXIMATHAZGXBFO-TZMCWYRMSA-N 405.398 1.494 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCCCOC)c2ccccc2)CC1 1564705541 CSRHHSIWCHECTO-LJQANCHMSA-N 422.551 1.339 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1567194340 QSDSCKFBQHQAHF-IAGOWNOFSA-N 417.462 1.915 30 10 HDEE COC(=O)CCSCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1568132547 GADXUEJJHHRWPI-OAHLLOKOSA-N 418.475 1.176 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCC(=O)N(C)C2=O)nnc1-c1ccco1 1585615937 VQZVRPWBFHBERK-GFCCVEGCSA-N 403.464 1.470 30 10 HDEE Cc1nn(C)c(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1585832620 KCVVKCAGDRFMRN-UHFFFAOYSA-N 416.235 1.988 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)cnc21 1586055441 FBNPUEYWZMISAU-UHFFFAOYSA-N 404.430 1.622 30 10 HDEE C=CCCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1586866297 ACAXMEXWPOJZCR-UHFFFAOYSA-N 402.513 1.886 30 10 HDEE COC(=O)C[C@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1587080701 LQHPFHGZDVDBJB-INIZCTEOSA-N 403.284 1.698 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1587975338 XUPUGGHVVUREKV-UHFFFAOYSA-N 405.480 1.043 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1588050888 XACNGJCJTSKRHV-INIZCTEOSA-N 404.540 1.742 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c4ccccc4n(C)c3s2)CC1 1588199074 HEHPQMUOONEIIJ-UHFFFAOYSA-N 416.528 1.618 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOCC(F)F)CC1 1588849083 YFYJPWKENSUHQV-UHFFFAOYSA-N 404.465 1.691 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NC(=O)COC)CC1 1589528694 IFQLTLZMSNYZIH-VQIMIIECSA-N 403.527 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N2CCNC2=O)CC1 1589567154 AWEIFDNMEJUAHL-APWZRJJASA-N 418.542 1.790 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCO[C@H]2C)CC1 1594236777 IOLIMFJMBSDQBA-ZSZQSSIHSA-N 410.540 1.123 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)c1 1594795883 LMGJZNALCUFFCJ-KDURUIRLSA-N 409.529 1.380 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)ccc1F 1595227066 YGQLKYKQCPUYDO-OAHLLOKOSA-N 410.389 1.677 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1595536522 CKAVEVSRRWABNU-UHFFFAOYSA-N 402.528 1.334 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCCC[C@H]2C1 1595556061 MSITYPDOWUOKLF-IBGZPJMESA-N 412.513 1.985 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1 1595790078 IPNYPMRXNYNJFA-IEBWSBKVSA-N 401.532 1.814 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)cc1 1607778928 KKEQVDTZDLTPGY-UHFFFAOYSA-N 411.487 1.839 30 10 HDEE C#CCN1CCN(C(=O)Cn2cc(C(=O)OCC)c(=O)c3cc(F)c(F)cc32)CC1 1614902028 YPDKNNFUKBECOW-UHFFFAOYSA-N 417.412 1.234 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)n2cc(C)c(C(F)(F)F)n2)CC1 1615208773 HGYARMKWLIGESX-UHFFFAOYSA-N 413.444 1.229 30 10 HDEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CC1 1617215731 HTMYCWLHEQLKLS-FOIQADDNSA-N 414.506 1.897 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1617609108 QQEQSSDPQUQWFY-KRWDZBQOSA-N 404.478 1.632 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1618660479 BXFRJETYKBIKQF-UHFFFAOYSA-N 418.505 1.984 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COCCOC)C1 1618794659 QIMOWTWCKUXBDQ-KRWDZBQOSA-N 412.494 1.442 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1620153259 RMPQILOGIVAWHC-INIZCTEOSA-N 401.492 1.355 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1C#N 1622134635 HRMBQFCIHSLPPI-ZIAGYGMSSA-N 401.410 1.898 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 1625171744 CISPQJZMXUYPJL-QGZVFWFLSA-N 422.503 1.668 30 10 HDEE COCC[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1626088110 WIWOJNSGJZOTAX-FUHWJXTLSA-N 403.479 1.906 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1(O)CCN(Cc2ccccc2)CC1 1626618350 RPOKXPYTNNETHB-MRCUWXFGSA-N 412.490 1.046 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2c(C)c[nH]c2CC(N)=O)n1 1627670251 NGHMXGZKJBGPKX-UHFFFAOYSA-N 417.520 1.717 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CC1 1631231149 JPBBTONTNNBPJF-UHFFFAOYSA-N 410.883 1.078 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1631921449 VEYUYJHZCMCRAQ-WMLDXEAASA-N 411.384 1.066 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NOc2cccc(C#N)c2)CC1 1631982695 BZMZACCVELZCMM-UHFFFAOYSA-N 404.448 1.674 30 10 HDEE N#CCN1CCC(CNC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1633568673 WPCGWDDXYZJFRU-LJQANCHMSA-N 400.479 1.376 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(-c4nc(=O)o[nH]4)c3)C2=O)cc1 1633897603 CAEJFBXFYLRSNK-QGZVFWFLSA-N 403.398 1.827 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)C1 1634554703 GWGVUXRUHFEORT-DLBZAZTESA-N 406.552 1.273 30 10 HDEE COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(C(=O)CC#N)CC2)c1 1635737607 SHGSRPYGHDVJEK-UHFFFAOYSA-N 414.491 1.261 30 10 HDEE CSCC[C@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1635906124 YAEBYDAHGBZARG-BRWVUGGUSA-N 406.552 1.341 30 10 HDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1636193251 IGVSORVQFSHLKS-CVEARBPZSA-N 419.526 1.745 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3ccncc3)CC2)c1 1637467498 SGJUQKZMXOCBOT-UHFFFAOYSA-N 400.504 1.945 30 10 HDEE Cc1cc(C)n(-c2ccc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)n1 1637506743 ZMKXVEGWHRSKSB-UHFFFAOYSA-N 404.430 1.249 30 10 HDEE C[C@H]1CN(CCO)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1639023070 DITUCQFZRAQVDC-DILDSAGESA-N 406.527 1.298 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1 1639033812 NOIWAKTWZBHXTP-SFHVURJKSA-N 401.444 1.628 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1639961789 HOBOEYIFDFTIQI-IFXJQAMLSA-N 412.471 1.289 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccccc2SCc2cscn2)c(=O)nc1O 1641030198 IMYXXODAEVNGQY-UHFFFAOYSA-N 413.484 1.999 30 10 HDEE Cc1c(C(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cnn1CCC#N 1641036450 NUTPDOKKTZRNBO-FQEVSTJZSA-N 403.483 1.957 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)Cc1ccccc1CC#N 1641580593 ZADJNLDRRXNTSF-NRFANRHFSA-N 403.479 1.410 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc[nH]n1 1641994169 WKTGAQAYAXKPKF-XOKHGSTOSA-N 402.838 1.801 30 10 HDEE CN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@H]1CCC[C@@H]1C#N 1642535830 BOYSSCHJWPJIEA-ZBFHGGJFSA-N 407.492 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 1644492068 JCSZFMYYZHYPGO-UTKZUKDTSA-N 400.479 1.796 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCCN1C(=O)OC(C)(C)C 1648163419 AWZQAJZZVGPSFL-WTOYTKOKSA-N 423.554 1.674 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(N[C@@H]4CCOC4)C3)C2)C1 1652691274 YKPNLSNSVLBODJ-FMPZLKCCSA-N 404.511 1.363 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ncc(Br)cn2)c1 1653301243 UIHNXHHNAVXGKA-UHFFFAOYSA-N 411.281 1.633 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)cc1 1654431715 ADBGVHLADMWIDD-HNNXBMFYSA-N 404.492 1.655 30 10 HDEE N#Cc1c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)sc2c1CCCCC2 1654909873 YPVHDANQGCLICN-KRWDZBQOSA-N 402.520 1.712 30 10 HDEE CC[C@](COC)(NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)OC 1662366826 CLDUSUPOUZBBQD-CQSZACIVSA-N 405.270 1.567 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2nn(C)cc2I)cc1 1663387813 AZLYGSICIIOFOT-UHFFFAOYSA-N 401.229 1.485 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 1670652694 UCOVQWMKINJMOZ-OAHLLOKOSA-N 421.397 1.419 30 10 HDEE C=CCCOCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1681190516 ZGQBKVCGXGFWCK-KRWDZBQOSA-N 424.542 1.832 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCC1(C#N)CCCCC1 1682791801 SUJFPDNASQJTPQ-UHFFFAOYSA-N 407.540 1.886 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1689835163 HHQCZFXHWJGCEF-QRWLVFNGSA-N 420.535 1.594 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1689974943 DILUVDYJZWHPMN-UHFFFAOYSA-N 409.450 1.088 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCC1(O)CCOCC1 1690095237 KBDDDLVEBOLBFB-UHFFFAOYSA-N 414.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(N)=O)cc2)CC1 1690120511 XHSVWBBACROOPP-UHFFFAOYSA-N 416.489 1.634 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN2CCCO)CC1 1690137027 MLSHKZBIUUYFTJ-LJQANCHMSA-N 416.570 1.214 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)CC1 1690139441 MQAGLWKLZCKQTF-UHFFFAOYSA-N 406.490 1.553 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690207903 QDFRDGIGBQIZNJ-HTAPYJJXSA-N 424.480 1.988 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690290301 BHHOQZNYXDOMMD-NRFANRHFSA-N 409.494 1.655 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690334540 SLHDNELIMWRQFH-CQSZACIVSA-N 403.830 1.820 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690351325 PDHGMEGXAVDJSQ-IAGOWNOFSA-N 422.961 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(OC)C1 1690669673 LZNDITSWKIHAJD-FQEVSTJZSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690671038 NWPIBVFFLSDLGV-IRXDYDNUSA-N 418.542 1.215 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1692346466 FWBFWYJNGCGBAW-IRXDYDNUSA-N 404.515 1.801 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1696054966 KDVALPZKFGHMDJ-PNHOKKKMSA-N 420.489 1.287 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1696927586 OLRPCJIYRNGTAO-NRFANRHFSA-N 412.494 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705491680 GRZXUUWOPXITMZ-QAPCUYQASA-N 402.520 1.833 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1705493488 JXNXXMALFYBUNE-APWZRJJASA-N 420.517 1.858 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1705564008 JHPHHJCHBPWBAM-JKSUJKDBSA-N 419.576 1.806 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705564299 BOZXEBREMFBJGG-OAGGEKHMSA-N 414.503 1.131 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1705567787 ZNEAHBMRUZJIJX-KRWDZBQOSA-N 415.519 1.624 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1CCCO 1705576191 GQDCETYKPRANGK-GOSISDBHSA-N 412.925 1.913 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(O)(CC)CC)CC1 1705632510 SJCVUQNDXGTJKI-UHFFFAOYSA-N 411.510 1.232 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCNc2ccccn2)CC1 1705638511 MYRGYFQKBXZDFT-UHFFFAOYSA-N 403.494 1.388 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(N)=O)C1 1705695208 WCKFKPWREJWDBS-BBWFWOEESA-N 416.526 1.197 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(CCC)C(=O)C1 1705901986 BMXBQLGTXPZSFK-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCC[C@]2(CCOC2)O1 1706579597 AXYWISXBCWPVMK-JXXFODFXSA-N 404.515 1.883 30 10 HDEE CC[C@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CCO1 1708862444 FBNSXWVPGQGTCF-OAQYLSRUSA-N 422.493 1.911 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711148496 USGNPPJUTALEFK-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1712053619 HHQCCSQTUXRQTR-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE COCCOCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712620150 COHKKMGXMJXFPK-LJQANCHMSA-N 402.543 1.850 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1722280515 VYXQMPBBLMMGIA-OXQOHEQNSA-N 405.499 1.619 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722362844 CFZKMMFUUSWPMT-JKSUJKDBSA-N 409.556 1.335 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722367112 LXKIPPGPARTMNQ-BRWVUGGUSA-N 408.568 1.918 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722368673 UOAVMVDOWFPWLY-MRXNPFEDSA-N 408.568 1.799 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1722468811 QBNLDZKGPJJEBI-QHAWAJNXSA-N 404.511 1.462 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722553334 OJBLOCCSBKJXPU-GHTZIAJQSA-N 405.543 1.665 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1722624341 AMLHONFMMFZYLG-UHFFFAOYSA-N 403.487 1.550 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722689753 YVOOJOBGHXAPIB-CHWSQXEVSA-N 421.420 1.072 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722699112 BSGQAYVUPGJQJJ-CRAIPNDOSA-N 417.485 1.550 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1722814256 KBJXSGHYSOWORT-HSALFYBXSA-N 424.505 1.462 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 1726732902 AHSJIKWOFXWBNB-DLBZAZTESA-N 400.531 1.918 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CCO1 1729679115 GSBWHZIZIGRNPD-DLBZAZTESA-N 412.519 1.664 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1730726009 GSJFMZIDWBKYMI-UHFFFAOYSA-N 416.551 1.354 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCOCC3)n2Cc2ccc(C#N)o2)c1 1730994300 CFKYBCZTVCYJFT-UHFFFAOYSA-N 413.459 1.698 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1731180502 BZGKWXANHJLUSD-IFXJQAMLSA-N 403.462 1.441 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1731188951 CPMJNWUUDXOZQB-INIZCTEOSA-N 412.498 1.455 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739161855 VLGCCJVGSQVDQJ-IGALEPNSSA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)Cc1ccccc1 1740549258 DQZVMBJQUAKSQI-WMZOPIPTSA-N 402.520 1.855 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC2(C)C)CC1 1740708086 BCKPXHIBUVDLAG-KRWDZBQOSA-N 412.538 1.412 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1740762087 QUGRFSIZZSRBAN-OWSLCNJRSA-N 424.567 1.777 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1745791501 KCYRLKLMQSXWCY-OAQYLSRUSA-N 407.478 1.059 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1748709957 BWSQHEZHTAYLAG-LAUBAEHRSA-N 400.527 1.334 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1748713180 PEFQNGDUAHJUHW-UHFFFAOYSA-N 407.457 1.794 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1748751456 XKZMKFAMOOFLRA-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748819426 OMCBIKMXIMRBTG-ROUUACIJSA-N 413.547 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccs2)CC1 1748990657 YZHAMJSGSBSMDI-INIZCTEOSA-N 414.535 1.029 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1749386526 IGDXBXHINQLUOW-SJORKVTESA-N 400.527 1.833 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749448151 UIKCRNQTISHRSA-FQEVSTJZSA-N 424.505 1.751 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)C1 1749696759 DHBQTKFVSRLMSX-RXVVDRJESA-N 416.526 1.882 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)NC)C1 1749711932 DLPTVLNMGDXSEM-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1750330853 KTZPDYXRTWIDHI-KGLIPLIRSA-N 416.573 1.102 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1750383190 QDBJFPGXBNODIL-ZDUSSCGKSA-N 410.400 1.979 30 10 HDEE CC(C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1750533548 COSNYQPMUGJSJU-UHFFFAOYSA-N 422.468 1.843 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1752734480 LBVDGNMFVDWEAC-RDCVWBNRSA-N 411.466 1.869 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1760137622 LLNVIZSAGHFNQE-INIZCTEOSA-N 422.511 1.039 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1760202209 WDOLEXIOAACOES-UHFFFAOYSA-N 412.519 1.127 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCOC(C)(C)C1 1760208318 AWCZWQFKJQHTBF-UHFFFAOYSA-N 412.538 1.088 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1ncn(C)n1 1760214547 SYPHPVRGJLLPAI-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1760233090 QPCZTISKGLAFFN-JKSUJKDBSA-N 404.515 1.850 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCCn1cnnn1 1760245595 JEQZAWIHGOCOSG-UHFFFAOYSA-N 417.477 1.656 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCNS(=O)(=O)CC)CC1 1760401307 FORZOGRRFWQHHG-KRWDZBQOSA-N 411.572 1.904 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1760406670 JGRGCYNXVRCOOZ-ZIAGYGMSSA-N 412.560 1.158 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCC(=O)N(C)C 1760478305 CNNFYHBYIBIJIK-UHFFFAOYSA-N 423.521 1.959 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCC)C1 1760543189 QWXNLVVHFCWELI-FCEWJHQRSA-N 412.556 1.513 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1conc1COC 1763101101 CWYIGMAZUWQGCP-UHFFFAOYSA-N 408.466 1.616 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1764911288 AXGXUCIMTWIPFR-INIZCTEOSA-N 408.510 1.348 30 10 HDEE CCN1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1765466729 LWVWPWUISLOEAE-VJANTYMQSA-N 418.542 1.605 30 10 HDEE COCCOCCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1770144967 GWOGSFJURHVGGV-SFHVURJKSA-N 401.467 1.736 30 10 HDEE CS(=O)(=O)CCOCCn1c(CC2CCCC2)nnc1N1CCC(C#N)CC1 1771357582 CFUBEZMQZPFVJU-UHFFFAOYSA-N 409.556 1.812 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1848931734 BDQLLCCUTBFLCX-UHFFFAOYSA-N 421.519 1.867 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)NCC(F)(F)F)CC2)c1 1849270877 IVILGMUITSRHLB-UHFFFAOYSA-N 424.832 1.561 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(CCC#N)CC2)c1C 1850845053 BTDYJTBJKFWRRQ-SFHVURJKSA-N 406.552 1.645 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCC[C@H](n2ccc(=O)n(C)c2=O)C1 1851271378 ABOBXKUXRCRFAI-HNNXBMFYSA-N 417.897 1.899 30 10 HDEE CS(=O)(=O)CCCN1CCN(C(=O)c2nccc(-c3ccccc3)c2C#N)CC1 1851759947 DIBODRDNBRJYCY-UHFFFAOYSA-N 412.515 1.813 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)c1cc2n(n1)CCC[C@H]2N1CCOCC1 1852805363 MBHZVQJIAZTKTA-CQSZACIVSA-N 423.399 1.933 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3nnc(C4CC4)o3)C2)CC1=O 1853679138 DYQFQVMPDWNINZ-DOTOQJQBSA-N 401.511 1.794 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1=O 1853745191 RUPVWPFGFVUBBB-ROUUACIJSA-N 403.504 1.587 30 10 HDEE Cc1cc(C)n(CC(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n1 1854293277 YRSDOIDOYNGBSR-GOSISDBHSA-N 408.462 1.047 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccccc2-n2cnnn2)C(=O)C12CCCC2 1854453693 DKHKJRYFUDMIDL-INIZCTEOSA-N 407.478 1.952 30 10 HDEE CC1(C)C(=O)N(C(=O)Cn2cccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516665 PINGGGMNOMPSLY-UHFFFAOYSA-N 400.460 1.198 30 10 HDEE COc1ccc([C@H]2CN([C@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)CCO2)cc1 1854717798 NOENTLJNNAVECT-VQTJNVASSA-N 406.442 1.776 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cccc(F)c1 1854773339 BOAQIGACDNLJNP-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cn3cnc4c3CCCC4)C(=O)C2)C1 1854985960 UGZJVWZBGNAGTR-ZWKOTPCHSA-N 412.538 1.199 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855066551 ZYAJEOUCEQEIGU-CVEARBPZSA-N 402.520 1.238 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CC4(CCc5ccccc5O4)C3)C2=O)CC1=O 1856459264 JGXMSUUFBYYQTM-ROUUACIJSA-N 409.486 1.228 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1856532173 SSJATEHPFNXBJZ-GDBMZVCRSA-N 414.897 1.319 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3CC[C@@H](N(C)CCC#N)C3=O)nc12 1856542728 MQXCDTXDEJGRFE-CYBMUJFWSA-N 401.492 1.714 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)c3ccc(N4CCCCC4)nn3)C1=O)CC2 1856556967 QHDVQESCRTXQJP-SJLPKXTDSA-N 408.506 1.834 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)Cn3cnc4ncccc4c3=O)C2=O)CC1 1856572017 NRWNQTDQAXOXAT-GOSISDBHSA-N 409.490 1.741 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4sccc4C3)CCC2=O)CC1=O 1856719022 XLIFSYSDUHGJIG-RDJZCZTQSA-N 401.532 1.906 30 10 HDEE Cc1oncc1C(=O)N1CC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1857006951 YATSHKRFJMXPIQ-SFHVURJKSA-N 409.446 1.782 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(N(C)C)nc2)C1)[C@@H]1CCN(C)C1=O 1857050901 RDISDGUFUYJMRO-SJLPKXTDSA-N 413.522 1.245 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCC(F)(F)C3)C2)CC1 1857062763 PHFRBYXCIMQTGP-UONOGXRCSA-N 403.451 1.362 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cccn4ccnc34)C2=O)C1 1857106520 BIBSIMRAULBZGM-QGZVFWFLSA-N 402.414 1.105 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCc3ccc(OC)cc3)C(C)(C)C2=O)CC1=O 1857158009 OJEGIFBWNCLFNH-GOSISDBHSA-N 413.518 1.722 30 10 HDEE Cc1ccc2nc(CN3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)cc(=O)n2c1 1857420059 QUWWUDKFFZQDIQ-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE CCCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858978187 ZNVFVCWCGTYANW-UHFFFAOYSA-N 414.487 1.929 30 10 HDEE C=CCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861609695 OTBIDGWBJMKMMC-FUHWJXTLSA-N 415.490 1.803 30 10 HDEE C[C@H](C(=O)N1CC(COc2cccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892153576 MCZUCXQUQXLPMF-OAHLLOKOSA-N 414.487 1.645 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1895875913 OQHWMLPXHUKLMC-CHWSQXEVSA-N 404.276 1.628 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@]1(O)CCCN(Cc2ccccc2)C1 1975538113 FXQAPCQSLXPHKY-MRXNPFEDSA-N 403.342 1.842 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCO1 2174781860 JTDFIEGRWACFDV-RRFJBIMHSA-N 402.517 1.081 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)N3CCOCC3)n2)OC1(C)C 2241158067 QELNYCABSPJIGQ-UHFFFAOYSA-N 403.697 1.023 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2245261174 YJKBDKQUTCUSFE-MATWNZDUSA-N 410.320 1.908 30 10 HDEE Cn1cc(C(=O)NCCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247841861 YDOORLADFNVHKE-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE C#CC12CC(CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c3ccccc3C1=O)C2 2260394344 BBBPEKRUUGNIDX-JEFDNNSCSA-N 404.463 1.828 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCC[C@H]3N)cc2Cl)OC1(C)C 2267355045 FNAANSUCAXZYCG-MNOVXSKESA-N 406.766 1.859 30 10 HDEE Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2270510745 JBRGOQWKGFSWIL-QGZVFWFLSA-N 417.443 1.988 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2270540541 OWHBDDARMIZDQP-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE CO[C@H]1[C@H](CNS(=O)(=O)CC(C)(C)C#N)N(C(=O)OC(C)(C)C)C[C@H]1OC 2279473292 PYUSEEVJDFXSMY-MJBXVCDLSA-N 405.517 1.105 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)c2Cl)OC1(C)C 2281938318 MMXAWZJFMDSFBX-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CCCC3(CC2)OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282038134 DSQFYMIUJHJHGP-CQSZACIVSA-N 405.304 1.525 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(C)(C)C1 2282349403 YEWPUGPSHSPZAQ-GFCCVEGCSA-N 400.375 1.666 30 10 HDEE CC(C)[C@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282351866 HAKBNDXBGHIEPK-ZIAGYGMSSA-N 401.359 1.997 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282495014 GMEHZFSXWNYJKO-KCJUWKMLSA-N 415.264 1.637 30 10 HDEE C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495287 KJDPBPNMNAAWDP-BXUZGUMPSA-N 401.721 1.783 30 10 HDEE CC1(CN)CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282498789 JOEMTCGJUNVQLX-UHFFFAOYSA-N 400.737 1.609 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CO)CC(F)(F)F)OC1(C)C 2282502039 FVDSKUZSNXEEPJ-SECBINFHSA-N 415.264 1.639 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282614203 HFLCXQKHZUAVOM-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CC(CO)C3)c(Cl)c2)OC1(C)C 2282830557 WICZUILOMHLFDI-UHFFFAOYSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](CO)C2CCC2)OC1(C)C 2282831088 FBPXTNXHLDERFW-GFCCVEGCSA-N 402.347 1.023 30 10 HDEE CSC1(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCC1 2282854675 UUUSYXKVZJMNST-UHFFFAOYSA-N 401.363 1.283 30 10 HDEE C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860135 VYEXZXKBGNDOBC-CHWSQXEVSA-N 401.359 1.971 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@H](CN)C2)c1B1OC(C)(C)C(C)(C)O1 2282865898 ACYJVQNARSOZFJ-JOCQHMNTSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N3CC(CN)C3)c(Cl)c2)OC1(C)C 2282874768 GCOGHPANOOPPTE-UHFFFAOYSA-N 421.155 1.872 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(C(=O)O)CC3)c2)OC1(C)C 2284401030 ZXQGLZUKXHWHJU-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@@H](C(=O)O)C2)OC1(C)C 2284413168 HPXKNVOWMPGWTR-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CC(C)N1C[C@H](c2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)CC1=O 2322038179 GAIAGNASKCQTNT-SNVBAGLBSA-N 406.424 1.493 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)C=Cc2ccco2)C1 2328074854 QOUZXDMZGBONBI-KDOFPFPSSA-N 407.426 1.395 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(O)c1 2330743660 LNZIFPCGIAIEKJ-UHFFFAOYSA-N 420.495 1.129 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2339647503 BDCWDOJSZIFFGR-BBTUJRGHSA-N 423.531 1.990 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CSCCN1C(=O)OC(C)(C)C 2342042346 FGEOLQSFYBDKJE-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@@H](O)c1nn(C)cc1I 2363524779 FXEZBZVJQCASSE-ZWNOBZJWSA-N 402.261 1.544 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2365199080 LFWVOAHYDIEQOE-HRCADAONSA-N 402.557 1.552 30 10 HDEE CC[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2365242322 YIWNTSIWWOCSMQ-FZKQIMNGSA-N 405.513 1.976 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367791215 YAFGSQZDPGRSQF-DNVCBOLYSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367800880 NEVYUNFDWOKDBF-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831184 OWYSMMKFXXHITD-HDMKZQKVSA-N 400.541 1.435 30 10 HDEE C=CC1(N[C@@](C)(C[C@@H]2CCCS2(=O)=O)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2377238548 BFCKVVGNRIXYMW-GUYCJALGSA-N 402.513 1.562 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 72034839 GKRXRXHKMUEHNL-INIZCTEOSA-N 422.464 1.750 30 10 HDEE C[C@H](/C(N)=N/O)N1CCN(c2ncc(Br)cc2Br)CC1 128621744 DTXHAOLHXKEHRQ-MRVPVSSYSA-N 407.110 1.864 30 10 HDEE C=CCN1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@@H]2CS(=O)(=O)C[C@@H]21 254568724 HFLKWFOKJKCMQY-XJKSGUPXSA-N 410.517 1.529 30 10 HDEE C=CC[C@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 410065238 KUKDAXJAFHBPEV-SWLSCSKDSA-N 411.296 1.970 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(S(C)(=O)=O)cc1 430258096 BKPVZDCJFVTUOS-VQTJNVASSA-N 423.535 1.512 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC)cc2)CC1 433812464 NZYGTUATVDEOMU-UHFFFAOYSA-N 407.536 1.320 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)C[C@H](OCC)C2(C)C)cc1 444563976 WLSMMWBWCRTQCP-JXFKEZNVSA-N 424.519 1.628 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](C(=O)OC(C)(C)C)C3)CC2)o1 464591572 KSLUENKKWZUBDF-MRXNPFEDSA-N 417.510 1.557 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3cccnc3C#N)CC2)cc1C 477054887 GWIFOKMFVSGFBS-UHFFFAOYSA-N 414.487 1.482 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C[C@H]4CCCCN4C)CC3)cc2C1=O 501143280 QPUKJEZFYKZVNB-GOSISDBHSA-N 410.518 1.711 30 10 HDEE CCOC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 506791430 UUZVWWFUPNFNMN-UHFFFAOYSA-N 403.460 1.834 30 10 HDEE CC[C@@H]1C[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 513724321 JVTABNIXHQXKRO-FUHWJXTLSA-N 405.520 1.986 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2cccc([N+](=O)[O-])c2)CC1 525151174 FNUPLNGMNPTYPR-UHFFFAOYSA-N 414.443 1.542 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c(cc3F)NC(=O)CC4)CC2)n1 546176739 NUHWFSPWSLPVSJ-UHFFFAOYSA-N 415.450 1.488 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546197460 OIHTWAGGXLZXNP-UHFFFAOYSA-N 406.446 1.832 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cccc(N4CCCS4(=O)=O)c3)CC2)n1 546905716 WQBPVVARGPEQBO-UHFFFAOYSA-N 411.487 1.456 30 10 HDEE CC(=O)N[C@@H](CC(=O)N1CCN(C(=O)CC#N)CC1)c1ccc(Br)cc1 558350449 FWJATTUAIORLAU-INIZCTEOSA-N 421.295 1.601 30 10 HDEE Cc1ccc(C(=O)NCc2ccnc(OC(F)F)c2)cc1S(=O)(=O)NCC#N 572775275 ZLXOYPZENWDIAG-UHFFFAOYSA-N 410.402 1.723 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CCN(c3ccc(C(=O)O)cc3)CC2)cc1C#N 581303519 AJMSYIKCQWOFHJ-UHFFFAOYSA-N 400.460 1.907 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NCCCC)cc21 586315682 YUGUNDCTLPIFRJ-GMYLUUGSSA-N 406.504 1.834 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 592076653 UGBNFDGOFSRAHA-QGZVFWFLSA-N 424.567 1.849 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccn(CCC#N)n2)C1 609789742 GLBDZRRRNFXXMS-CQSZACIVSA-N 406.468 1.441 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C#N)c1 609794696 OFXDEZXECWWJGA-OAHLLOKOSA-N 417.487 1.567 30 10 HDEE COC(=O)[C@@]1(NCC(=O)N[C@](C)(C#N)C(C)C)CCCN(Cc2ccccc2)C1 611266047 VBJKIXNDTRKBOB-FGZHOGPDSA-N 400.523 1.838 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1c(C)cccc1C 727415546 UYBYQFQGWSRLPI-UHFFFAOYSA-N 423.494 1.375 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cn1 730145247 YLWJVESFKVWRAM-CVEARBPZSA-N 422.555 1.081 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Br)c1 732706104 FLOGEHSPNYOMPR-LBPRGKRZSA-N 407.268 1.595 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 740453453 CGTRXROQPPPRCB-OAHLLOKOSA-N 405.524 1.967 30 10 HDEE C#CCCn1c(-c2cnn(C)c2)csc1=NCc1ccc(S(N)(=O)=O)cc1 741156609 UZMFFYSPDNRMTI-UHFFFAOYSA-N 401.517 1.722 30 10 HDEE C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742708638 LZQBOMPFAJARLV-AWEZNQCLSA-N 412.471 1.571 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028633 KOBQENBQFUMLPR-UONOGXRCSA-N 405.407 1.925 30 10 HDEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746296411 DDIHOQFPDSIKOS-ISLYRVAYSA-N 423.372 1.892 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)N(C)CCN2CCCS2(=O)=O)cc1C#N 752300407 FSHLGQVCUDECCN-UHFFFAOYSA-N 409.468 1.626 30 10 HDEE N#C[C@@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)N1CCS(=O)(=O)CC1 759333920 QRTMHFMNGYWLEZ-JFDDCEBESA-N 417.874 1.867 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(Cc3ccncc3)c2C)CC1 762597937 KGFZMZXGJJKXKZ-UHFFFAOYSA-N 407.518 1.446 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 763789217 XONLNKIYKQZKCT-ZWKOTPCHSA-N 418.471 1.417 30 10 HDEE C#CCN(C(=O)c1sc(Br)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 772149550 PTJDSOWUPWXOOA-MRVPVSSYSA-N 407.267 1.681 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 774161357 FHOSKLHYXLBYAU-AWEZNQCLSA-N 404.410 1.960 30 10 HDEE C#CCN(C(=O)N[C@H](CC)c1ccccc1OCC(=O)NC)[C@H]1CCS(=O)(=O)C1 774179420 OGLDLYGBMNBQSU-DOTOQJQBSA-N 421.519 1.094 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 774208963 FDGNKOURUAELAA-DZGCQCFKSA-N 409.895 1.277 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 780031088 JKXXWEXAGHFZLG-MBNRZODZSA-N 403.442 1.638 30 10 HDEE CCN1CCN(c2ccc(NC(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1 780213866 IZZGAEYQBXVRGH-JOCHJYFZSA-N 422.485 1.915 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NC[C@H](O)COc2ccccc2Br)cc1 780983314 LYHYRKWKVXIZKR-WMLDXEAASA-N 405.248 1.910 30 10 HDEE CCCN(C(=O)[C@@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 781401318 NDQSPZHYSDNQEF-CRAIPNDOSA-N 418.515 1.947 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)cc2C)n1 781601301 DPNGOJDDQZTYRG-UHFFFAOYSA-N 414.422 1.717 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 783177177 YQLPZULDOTYDAC-UHFFFAOYSA-N 420.457 1.969 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCC2CS(=O)(=O)C2)C1=O 786687154 FTEOMORNMADCEX-HNNXBMFYSA-N 409.533 1.497 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@H]1CCCO1 790356937 TWXBBTSZVOLASE-GOSISDBHSA-N 403.467 1.301 30 10 HDEE CC(C)(C(=O)COC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 795353688 MSYGIJAGLSEGRV-UHFFFAOYSA-N 400.456 1.815 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(CC)nc3onc(C(C)C)c23)CC1 801151560 SWHIPYLIHJDZKH-UHFFFAOYSA-N 411.506 1.806 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 808226380 MAUKGYHLZHUJHV-QGZVFWFLSA-N 414.535 1.877 30 10 HDEE C#CCCS(=O)(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 808277419 QHSYPEKFSURUBE-UHFFFAOYSA-N 410.439 1.365 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)nc2)[C@H](C(F)F)C1 808317746 ORHQJWNLLYQZNO-ZDUSSCGKSA-N 402.423 1.828 30 10 HDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C\c2nc(C#N)cs2)c1)S(C)(=O)=O 811689809 MJMKCDYUPQGURZ-SREVYHEPSA-N 411.486 1.636 30 10 HDEE C=CCN1CC[C@@H](N(C)C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1=O 816598408 ARQKWIGDNRPWHM-DLBZAZTESA-N 408.543 1.468 30 10 HDEE Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n(CCC#N)n1 1125418812 SUPKWFOSKDYWJL-AWEZNQCLSA-N 404.471 1.512 30 10 HDEE C[C@@H]([C@H](C)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)S(C)(=O)=O 1136570321 DEQRVZFMLHKBRV-GJZGRUSLSA-N 400.504 1.824 30 10 HDEE Cc1cc(Br)cc2c1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1137851166 LSBMIJDNCVJJQD-UHFFFAOYSA-N 417.263 1.867 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cc3cccnc3Br)CC2)c1C#N 1138262256 AAUJWIJVWGORQH-UHFFFAOYSA-N 403.284 1.649 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2=C(C)N(C)c3nnnn3C2)C1=O 1139684897 VDBABDTYVCQHOC-GOSISDBHSA-N 404.475 1.099 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCOC(F)(F)C(F)(F)F 1154167761 XDTNAQYCSWIAAX-UHFFFAOYSA-N 415.340 1.403 30 10 HDEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCCN(O)C1=O 1159641125 DCAMVWMDNGJAHD-CABCVRRESA-N 421.498 1.874 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1160058354 AKLIHJWJBFQUSG-SJORKVTESA-N 415.494 1.484 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCN2CC(F)F)cc1S(=O)(=O)NCC#N 1166853982 GOGBJHGHYQNTCJ-CQSZACIVSA-N 400.451 1.256 30 10 HDEE C[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1NC(=O)C(F)(F)F 1174925744 XWBCXBGZKHSHFJ-DOMZBBRYSA-N 403.426 1.721 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CCN/C(O)=C1\N=CC=CC1=O 1180072978 FQAXDXRVTPQUKZ-LAHNDKLLSA-N 418.494 1.809 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1F 1180160690 HJISXSOOAXTXET-DMEQXSTQSA-N 415.400 1.820 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3c[nH]nc3C(F)(F)F)C2=O)cc1 1189887641 AVYLZRKTTCAWAB-LBPRGKRZSA-N 413.381 1.380 30 10 HDEE C=C(C)COCCNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1210851295 PFRLXXOLWBYUCP-GOSISDBHSA-N 412.508 1.536 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1233927721 IYMQXDNJGMTDGY-YUWJWYLASA-N 423.510 1.513 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259106947 USSRAWZQUAUOMT-OLZOCXBDSA-N 415.899 1.860 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@@H]1CCS(=O)(=O)C1 1286384657 JHCIFQYYEQOIHT-QGZVFWFLSA-N 411.491 1.047 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCSCC1 1286402219 CWUSQWOHTZRJSZ-UHFFFAOYSA-N 423.542 1.838 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286440495 AQSWBBMACFZDEX-OAHLLOKOSA-N 422.942 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2conc2COC)CC1 1286479267 GPJDURAZQZRMBQ-SFHVURJKSA-N 400.483 1.458 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCC=C)CC1 1286480452 XDHBTSKEBNFMMG-UHFFFAOYSA-N 417.517 1.913 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCc2nc(C)no2)CC1 1286481647 ISNLATWVEGTNFO-UHFFFAOYSA-N 406.494 1.343 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1286591640 OBKQYTFRFJVDGD-XLIONFOSSA-N 424.553 1.690 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1286667817 NAQYGHKMQSZSRD-ZDUSSCGKSA-N 403.574 1.059 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286694934 KMLWNKGJCRAYGC-HOCLYGCPSA-N 423.543 1.166 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1286741656 PSICPZIBZMEMKH-UHFFFAOYSA-N 406.494 1.884 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC(N)=O)cc1 1286794646 NDXCHTISZOLQGQ-OAHLLOKOSA-N 409.494 1.992 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCCS2(=O)=O)C1 1286803271 CPGGVFSUWZJTPE-MRXNPFEDSA-N 420.539 1.100 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286818788 ODPHWCUNCVLMCH-WMLDXEAASA-N 405.524 1.878 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1288999592 OZDDQDWHNKSWON-ZWKOTPCHSA-N 424.505 1.543 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(C)(C)N1CCOCC1 1290863231 CINHHTQDERKYEC-UHFFFAOYSA-N 409.538 1.896 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccc(C)c2)CC1 1292889748 LUOMXAFZOWHTQG-NZQKXSOJSA-N 424.545 1.188 30 10 HDEE C=CCNc1ncc(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)s1 1296211495 YTXKYNROYAIURG-UHFFFAOYSA-N 409.537 1.833 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCC1 1297437446 YRVYEHBBERBSLK-HZPDHXFCSA-N 402.499 1.555 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)NCCOCCS(N)(=O)=O)c2)cc1 1297587220 QSEUXFILKDUCBF-UHFFFAOYSA-N 403.460 1.172 30 10 HDEE Cn1cc(C(=O)N[C@H](C#N)CO)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1297879852 GALMAWMVNRZABZ-DLBZAZTESA-N 411.462 1.551 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@H](O)CNC(=O)OC(C)(C)C)C1 1300021489 YIJNHJGDAMYVKB-ROUUACIJSA-N 402.495 1.871 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300356283 BDJZOMCPGVBWCW-IRXDYDNUSA-N 401.511 1.807 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(C)(C)COC 1300538719 UUIACGFDRLHFGY-KRWDZBQOSA-N 406.552 1.706 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1300569857 CBORPMJFYVCQKI-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1300601256 FEXFXDKBPIVMLS-HNNXBMFYSA-N 421.571 1.557 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCCCN2CC)CC1 1300731636 RAQLVDJQWGXMTH-LJQANCHMSA-N 416.570 1.655 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1300843435 FPSRWHUIOMWXTI-LLVKDONJSA-N 413.276 1.026 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC 1300884856 MHYITSJOTFEOQX-JYJNAYRXSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301484712 LFZPVYMPLGQDAG-HOTGVXAUSA-N 408.418 1.233 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCn2nc(C)nc2C1 1301589191 OYINPSBZMWIMHY-UHFFFAOYSA-N 407.544 1.388 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1301806262 AKQGWKOIWKYJPG-HNNXBMFYSA-N 422.555 1.508 30 10 HDEE CC1(C)C[C@@H](O)c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2O1 1304257088 XGQMQJORXMQGBR-OAHLLOKOSA-N 415.471 1.958 30 10 HDEE CCc1nnc(N2C[C@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1306106663 WGCCUJUKZCELML-KXBFYZLASA-N 411.510 1.342 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C[C@H](O)Cn2c(-c3ccccc3)noc2=O)C1 1307991363 YMWRTXOLOCFYTF-PGRDOPGGSA-N 405.458 1.817 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1309844483 QCFGTMGJFYIDOC-WOJBJXKFSA-N 419.547 1.805 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1313290943 HAWZNFBPQYTCFH-RTBURBONSA-N 419.570 1.421 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1313438513 MHSFIXIKLJSTBI-UHFFFAOYSA-N 413.566 1.221 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CC#N 1314541300 AQRJMBCEYLVQML-CVEARBPZSA-N 412.560 1.582 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)COCCO1 1314739854 HAJCXGUSIMTAPU-NRFANRHFSA-N 407.478 1.992 30 10 HDEE C=CCO[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1325227018 BSJUDGHOXUNOJS-SJLPKXTDSA-N 423.535 1.311 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN(C)C 1354122546 BIKAEFZVXYIZRV-HXUWFJFHSA-N 406.486 1.812 30 10 HDEE Cc1nc(=NC(=O)Cn2cnc(-c3ccccc3)cc2=O)n(-c2ccc(C#N)cc2)[nH]1 1354304509 FMTOJFVOEAZWFF-UHFFFAOYSA-N 411.425 1.732 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1cnn(CC(=O)NC2CC2)c1 1356492177 KXDOZFMDDLEERU-UHFFFAOYSA-N 402.252 1.977 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358964307 XFGFWIRJPQTCTG-LSDHHAIUSA-N 416.494 1.528 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCn1cnc2ccccc21 1358981574 PAJMNHHXKMAQPI-UHFFFAOYSA-N 401.474 1.523 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1359012944 DTFSTOPNKIXVFJ-UHFFFAOYSA-N 418.505 1.797 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359049879 XVMHFSVSAVLHOR-QGZVFWFLSA-N 406.600 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCOC1 1359089968 SEHVKCDKOUOOBX-BZSNNMDCSA-N 403.527 1.968 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C)C1CC1 1359246777 LEGQFAWLKQLMSI-IFXJQAMLSA-N 411.572 1.984 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1359256132 WKDPRNGTZAVRQB-GOSISDBHSA-N 421.505 1.818 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)C(F)(F)C21CC1 1359291119 FLIZKVNSDMJDQX-UHFFFAOYSA-N 422.480 1.734 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OCC)C1 1359291660 ZIOWOKZAQYXUNL-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOC2(CCCC2)C1 1359306275 ANQQMCWSFVRWOA-WMZOPIPTSA-N 419.526 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359333197 QHMXAZOUUQAPTJ-ZACQAIPSSA-N 410.540 1.388 30 10 HDEE C#CCN(C(=O)c1ccc(O[C@H](C)C(F)(F)F)nc1C)[C@@H]1CCS(=O)(=O)C1 1360054245 GXOBERADUGZQNL-CHWSQXEVSA-N 404.410 1.982 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1360785489 WOBNCIZHAUDJRV-KKSFZXQISA-N 422.493 1.382 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1I 1439405291 ZSTPWSBDMKSOOJ-GFCCVEGCSA-N 419.244 1.525 30 10 HDEE C=C(Br)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1442594105 PTFLIEZOQDCNCW-LLVKDONJSA-N 411.318 1.435 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@](O)(/C=C/OCC)C(F)(F)F)cc1 1450325664 NUCHRVNNMOTHTC-PXUDHTSWSA-N 422.425 1.724 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)CCO2)n(-c2cccc(F)c2)c1C 1460962744 HSTKSWNFJDJMHS-UHFFFAOYSA-N 420.466 1.705 30 10 HDEE CCOC(=O)[C@@H](NS(=O)(=O)N(CC)CCC#N)[C@@H](O)c1ccc(Cl)cc1 1464107977 DQNQSVOLWGMGLR-GJZGRUSLSA-N 403.888 1.375 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(-c2c[nH]c3nccc-3c2)ccn1 1464922965 HCJUGFXGXUHVRJ-UZYVYHOESA-N 402.414 1.833 30 10 HDEE O=C(CC(F)(F)C(F)(F)F)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1467269057 IVWAENPKQRJAEN-UHFFFAOYSA-N 421.310 1.551 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1468144181 DROFKEWESANCIB-CVEARBPZSA-N 401.467 1.870 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 1469730500 WBVIGKJLTYCXHX-NJSLBKSFSA-N 410.471 1.109 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1 1471251929 KVNNRBUAVQGNEO-UHFFFAOYSA-N 406.382 1.480 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCCc1nnc2ccccn12 1475694361 GWKHCGHVUQIOJH-UHFFFAOYSA-N 406.265 1.884 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)[C@@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1478736389 NCFXRGNVZCNAKA-KRWDZBQOSA-N 406.552 1.884 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnnn1C 1498107470 ADSYJTODKFLOAN-KRWDZBQOSA-N 408.466 1.325 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502347051 SVKZUHWTRMQIHW-WAOWUJCRSA-N 419.549 1.845 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1503403772 SWXPQOBMLJFQPH-NRFANRHFSA-N 411.510 1.097 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1504525677 BJFVVTPYABRVHH-GUDVDZBRSA-N 424.505 1.789 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(F)c1 1505082943 UVSFVGKRRWIYSB-SZMVWBNQSA-N 401.442 1.918 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1505317102 ODISEWMWMSOCDE-AWEZNQCLSA-N 424.383 1.795 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1507679718 PRNRYVLUXOGWJC-INIZCTEOSA-N 410.588 1.470 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507749647 XJLWBYOOGITSLG-SFHVURJKSA-N 406.515 1.994 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCC2)CC1 1508140591 IXZQSJZXQLUUCQ-GOSISDBHSA-N 423.583 1.795 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@H](C)C2)CCOC1 1509818126 RMFPISKBRWPLMK-BMQTXXJKSA-N 419.526 1.863 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)N(C)Cc1nnc2n1CCC2 1524935132 XQJBBRBUJKERFA-MRXNPFEDSA-N 415.885 1.557 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCCS1 1539396595 PSFHZIYZQXJGGD-PBHICJAKSA-N 415.585 1.260 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](C)N2CCCCC2)CC1 1539428650 VHTCOANBNHGUSZ-LJQANCHMSA-N 415.586 1.436 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCO[C@H]2CCOC2)CC1 1539453970 FGFVRYIQBSBMNE-IBGZPJMESA-N 415.563 1.881 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC 1539556547 FCZVWNGLYYBESD-YLJYHZDGSA-N 407.584 1.904 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1539999406 GVPQJABROAFYKQ-AWEZNQCLSA-N 419.555 1.905 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCOCC1 1541108084 RNYZSDNMGJZGFL-CQSZACIVSA-N 400.439 1.991 30 10 HDEE CC(C)(C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(C#N)cc1 1544005748 IBBBGCMJLUVYIL-UHFFFAOYSA-N 412.515 1.832 30 10 HDEE Cn1cc([C@H](O)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1545529317 JELKSOXFICZSPL-MRXNPFEDSA-N 404.268 1.340 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1548302813 RNPOLFLFBISRBB-IUODEOHRSA-N 420.495 1.002 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCO 1555108027 QICVHUKSPUFNHM-INIZCTEOSA-N 401.467 1.757 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C)on1 1555663100 JEPSOFKIWABVHF-QAPCUYQASA-N 415.498 1.523 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1cc(F)c(C#N)c(F)c1 1556317766 MEKPVLMVWTUFIL-INIZCTEOSA-N 422.432 1.968 30 10 HDEE O=C(NCC#CCO)c1c(I)ccc(Br)c1F 1556370226 KIYOOUPRDRMTHO-UHFFFAOYSA-N 411.996 1.918 30 10 HDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccn(C)n1 1556972041 WNNYMKMISVNGLR-CQSZACIVSA-N 403.508 1.896 30 10 HDEE CNC(=O)NCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1557141873 MXBCENNJDPQNQX-INIZCTEOSA-N 401.467 1.438 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2cccc(CNc3ncccc3C#N)c2)C1 1558733593 AJBJORZSORVXNG-RTBURBONSA-N 423.473 1.744 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Br)cc3Cl)C2)c(=O)nc1O 1558805010 BNXBEHRKRMIWRH-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)Cc2ccc(C(C)C)cc2)CC1 1564367953 FVBFWAFFQJJUFJ-KRWDZBQOSA-N 406.552 1.536 30 10 HDEE CCOC(=O)CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1583138116 YQWGZXXUKWKWPM-UHFFFAOYSA-N 409.508 1.696 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccnc(OC2CCOCC2)c1 1587969608 BJJCQIUFADXBSW-UHFFFAOYSA-N 405.462 1.806 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1588143764 HNSZPMYOPWFXKZ-UHFFFAOYSA-N 405.836 1.976 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1588387494 UZWDKNVJEDBRSR-KRWDZBQOSA-N 417.535 1.872 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2OCC[C@H]2C)CC1 1588954684 KSFDVONYDSFBDX-YLJYHZDGSA-N 422.533 1.655 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1594566164 ALPLKEDUDCATPV-KDOFPFPSSA-N 410.544 1.104 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(=O)N2)C1 1595681377 QHMRNOIMNKFBDH-CBGDNZLLSA-N 419.526 1.379 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)cn1 1595731541 MWINYNSVEJYORL-LJQANCHMSA-N 424.486 1.479 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1595796584 AMGVMEQUFOUDPQ-HNNXBMFYSA-N 416.569 1.160 30 10 HDEE CCC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1597580068 CYSPNPXHDQKTJA-IBGZPJMESA-N 409.490 1.724 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn(C)c1 1598158263 DXGWNGOXNMPWGS-UHFFFAOYSA-N 408.466 1.978 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(=O)c1C#N 1611230756 FZHZRQUVJRSPHO-UHFFFAOYSA-N 409.200 1.283 30 10 HDEE CCOCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC1(O)CC1 1616888091 XLCVSNYVJMLDDL-UHFFFAOYSA-N 410.522 1.923 30 10 HDEE CCOCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CC1 1617070738 OCFURDGCXQBCNW-BZSNNMDCSA-N 419.526 1.938 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1619539209 HILRJBSOPGYVQQ-JBYIUTFZSA-N 424.505 1.570 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2nc(-c3ccncc3)n[nH]2)ccc1Br 1622247069 AOHQLRDQZVFCFA-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCC2=O)cn1 1623494669 PDRSMFFFPGLJOQ-FXAWDEMLSA-N 424.480 1.711 30 10 HDEE COc1cc(O)ncc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1626004493 RPYHLJCIEVYDRB-PGMHBOJBSA-N 404.448 1.861 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](c1cnn(C)c1)N(C)C(=O)OC(C)(C)C)C(=O)OC 1626204967 RWGCDOYGNJELTE-GJZGRUSLSA-N 410.471 1.189 30 10 HDEE O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)NCc1ccc(C(=O)NO)cc1 1626242885 RYEFVWVSDPETCD-ZDUSSCGKSA-N 409.489 1.023 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1c(F)cccc1-n1cccn1)c1cc[nH]n1 1627730767 TZPHESOLQCTBGP-UHFFFAOYSA-N 414.397 1.335 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1 1627848447 NINGBNSVMBQEFO-AWEZNQCLSA-N 404.492 1.032 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1629270514 WZXOXVUMJQBKNG-ZZXKWVIFSA-N 404.410 1.789 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)B(O)OC(C)(C)C2 1631282913 SVDMNSPMQFIMHQ-KRWDZBQOSA-N 400.284 1.971 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)C2)nn1 1633228737 BIXJLALVNJVJPZ-UHFFFAOYSA-N 409.450 1.704 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1633340781 MVZBAQVUDCIUBG-ROUUACIJSA-N 423.558 1.096 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(C(F)(F)F)cnn1C 1633925588 NAOLMQIYEXPHJX-SNVBAGLBSA-N 415.397 1.294 30 10 HDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)[C@H]1CCCO1 1634531474 UXCGQXLCWIMXFL-LSDHHAIUSA-N 412.533 1.052 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1635439856 ZLWYRLFRQGYFBH-CEXHIMGSSA-N 421.500 1.917 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)cn1 1635749622 OPIYAZROOKKRDX-UHFFFAOYSA-N 411.281 1.165 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 1636469042 HJGHEYXHXLNMEC-UHFFFAOYSA-N 424.326 1.751 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OCC 1636838232 RMPMEKSOZVBUBI-CQSZACIVSA-N 414.480 1.703 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](O)(CC#N)C1 1638967548 BOKXFKGTELLEAU-GCJKJVERSA-N 416.522 1.889 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)NCc3cc(F)c(C#N)c(F)c3)CC2=O)cn1 1639271717 WXLQZFSCOXXKQH-CYBMUJFWSA-N 403.389 1.349 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)cn1C 1639633646 IBOPECBKKKOCTP-UHFFFAOYSA-N 401.492 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)CC1 1640182970 IEMRLAVUYFIFDZ-HNNXBMFYSA-N 403.483 1.923 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OCC)nn2)CC1 1642057120 KZJRFLUZAYQEDW-MRXNPFEDSA-N 417.510 1.831 30 10 HDEE CC(C)(C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1)c1ccc(C#N)cc1 1642486585 VHJDDCCUHYOTQN-UHFFFAOYSA-N 412.515 1.832 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCN(c4ccc(C#N)cc4)CC3)cc2C1=O 1644194376 LCYVYXJIXRZGLV-UHFFFAOYSA-N 403.442 1.545 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc3nc(O)n(C4CC4)c3c2)cc1 1644248929 QUHNPDMGZXTDFO-UHFFFAOYSA-N 411.443 1.865 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@H](C)C2)cc1 1644821576 NZGZFKNOGDXVME-IUODEOHRSA-N 404.410 1.780 30 10 HDEE CCOC(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1648062114 IGBJHRVXIDLXQM-HNNXBMFYSA-N 421.519 1.697 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3cc(=O)c(O)co3)C2)C1 1648307517 LIVKSVQNPANNAM-DAIAYTDJSA-N 403.435 1.748 30 10 HDEE CC(C)(C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccc(C#N)cc1 1648468279 KUNGOKWTFLOGPH-UHFFFAOYSA-N 410.518 1.798 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 1650846381 USSSWSSYZMFHGE-UHFFFAOYSA-N 411.527 1.697 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)c3ccccc23)CC1 1650848771 IEIANTCKWIKJJR-UHFFFAOYSA-N 403.479 1.523 30 10 HDEE COC(=O)[C@@H](O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1653985874 FGAFNKJYVCRCSR-DLBZAZTESA-N 417.462 1.433 30 10 HDEE N#Cc1cccc(NC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1655891700 XSJFSVDVZLMTHV-XJKSGUPXSA-N 401.410 1.938 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 1657650040 SMMJTOVHSSGVQN-INIZCTEOSA-N 404.492 1.803 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1C(=O)NCC12CCOCC2 1660347402 NWUIYYINWNDPPO-KBXCAEBGSA-N 402.520 1.904 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)C2)nn1 1660735768 PQIUDXDRIZGJSE-NSHDSACASA-N 402.436 1.255 30 10 HDEE C[C@@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1671555892 JWNRNGNFBMBEEW-OAHLLOKOSA-N 415.519 1.981 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1673548431 ATZBJSZIRCHYIU-UHFFFAOYSA-N 410.459 1.446 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)nn1 1680287682 HHVWCYCAGPXMCF-HNNXBMFYSA-N 400.483 1.807 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(F)(F)c2ccc(Cl)cc2)CC1 1682385102 WKYGVYTUTWRQDN-UHFFFAOYSA-N 420.869 1.227 30 10 HDEE CCn1nncc1CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1682930142 PXMOQVPGCBBCRS-UHFFFAOYSA-N 407.482 1.678 30 10 HDEE C#CC1(O)CCN(C(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)CC1 1683255401 FDSGVCSRLWNJAK-UHFFFAOYSA-N 419.547 1.619 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)CC1 1684632929 IXAAPHBGHWNDMO-IBGZPJMESA-N 414.506 1.684 30 10 HDEE C#CCN(C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1)[C@@H]1CCCc2ccccc21 1685495927 COQDOSDTROUCPC-MRXNPFEDSA-N 401.492 1.572 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 1687593214 LNFJLBCIXWQMIC-SJLPKXTDSA-N 408.340 1.997 30 10 HDEE N#CC1(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CCOCC1 1687829861 HXKKXMSGKKXESH-WFASDCNBSA-N 409.430 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1cccs1 1689998043 AHBFBCFCSFRFSC-OAQYLSRUSA-N 420.498 1.967 30 10 HDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NCC)CC1 1690350334 GMRJYSCWZFMBTM-UHFFFAOYSA-N 408.959 1.941 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CC1 1690375865 VVUIRAKGUALHHW-MSOLQXFVSA-N 423.583 1.183 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690509568 ALCYCZGTJNTJBR-INIZCTEOSA-N 401.515 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1690726558 DMVTYDDATJCYFA-GOSISDBHSA-N 415.519 1.393 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705539993 JRUPRISYROYEOF-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN(CCOC)C(=O)C1 1705543549 KNMGOEIRJMCMPH-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705562683 HVPBPWSXCZFLSL-KRWDZBQOSA-N 418.519 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCOC1 1705580076 CQFHMEDOIVWJKQ-JOCHJYFZSA-N 403.442 1.824 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CO)c1 1705621304 BOCBGCXMIVIXAT-UHFFFAOYSA-N 420.473 1.552 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760093 AAQQHXLUYAQKII-HNAYVOBHSA-N 409.918 1.882 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)C2CCCC2)CC1 1705762646 DZWXABVZNFTBKP-MRXNPFEDSA-N 410.588 1.919 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1)C1CC1 1705854300 JUUWGYOKULVIBP-OAHLLOKOSA-N 410.540 1.267 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705890449 QKTONTBCYWRXDQ-NVXWUHKLSA-N 423.583 1.743 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 1705899187 KLKMZUGAZHVMIG-UHFFFAOYSA-N 410.522 1.548 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C)C1 1705930574 QIDXATRVPFAWSL-HNNXBMFYSA-N 418.523 1.763 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)n1 1707813877 AEOROKYXLBXNBU-OAHLLOKOSA-N 401.515 1.667 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1709203335 DLGHBAKQFUUOHU-IVCWUWDKSA-N 422.493 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1722279580 UCRZLPPVMCOVAY-AVGNSLFASA-N 403.599 1.195 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1722280876 XJVUTVDGAXAQQO-OLZOCXBDSA-N 409.487 1.542 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722307473 WWJQUAIUHWKTIV-INIZCTEOSA-N 409.556 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CC1 1722375037 GSNIGPZIFZVTNI-UHFFFAOYSA-N 403.895 1.644 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1722380096 CRXUOLSYTLULNC-UHFFFAOYSA-N 417.473 1.439 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1Cc1nnnn1CC1CC1 1722424106 BEZTYMHSGRDPOW-UHFFFAOYSA-N 406.494 1.784 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)CC=C)CC1 1722431808 OGOKBVJYYSCQSA-INIZCTEOSA-N 408.572 1.246 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722494011 LMADESDCRVHUKP-HZUJVAHNSA-N 416.526 1.114 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1722868021 YHBXJBQFEIAGNA-OAHLLOKOSA-N 416.507 1.474 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1729298072 WUFNXPSBBBZYQL-MOPGFXCFSA-N 424.505 1.651 30 10 HDEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCCNS(C)(=O)=O)c1 1730213681 BOVWPZNYRJIQOL-AWEZNQCLSA-N 406.512 1.631 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCO[C@H]2CCOC2)C1 1731181173 GTYNVQSGTQGXDS-FXAWDEMLSA-N 400.458 1.901 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740585705 AAGHXAVXQSJPCH-SFHVURJKSA-N 409.538 1.790 30 10 HDEE C#CCCCn1c(N2CCN([C@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1740596918 NBVOYZZYPAVBJX-GOSISDBHSA-N 418.586 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC[C@H]1C 1740643761 NJTRZNKQHBUXSH-LJQANCHMSA-N 423.517 1.659 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCS1 1740657119 PYNMBPILMOVIMX-IRXDYDNUSA-N 406.577 1.929 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1740661281 XOICQXDZHYRJMN-UHFFFAOYSA-N 404.478 1.603 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740705018 ASVKUYJBHKDICF-BTYIYWSLSA-N 401.511 1.051 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740749673 BTBYWIRQDUUIGJ-BQFCYCMXSA-N 416.526 1.162 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740813269 AWSFOEGWMXJTJY-GOSISDBHSA-N 424.958 1.907 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)C1)C(C)C 1740928040 ZWGAKFXPIUTYDY-RBUKOAKNSA-N 416.570 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1740959394 TZIQURVJWNOBMK-SFHVURJKSA-N 423.452 1.754 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccccn2)nnc1[C@]1(OCC)CCOC1 1740965078 LKWZTFBTOCMWAL-FQEVSTJZSA-N 400.483 1.264 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740989821 AHFRDNOQMZTWDM-JKSUJKDBSA-N 418.523 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740993674 BZFVLLJBQBAFJK-ZBFHGGJFSA-N 410.565 1.738 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1741130678 BCFISYXYSFPUBT-IAGOWNOFSA-N 422.599 1.898 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCN2CCC(O)CC2)c1 1748695181 ZIABVYMTWKVEDL-UHFFFAOYSA-N 424.549 1.744 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1748717685 GCPZLBVSFYFBLG-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1748731649 IMXMJXXUFWRWGX-KFKAGJAMSA-N 407.540 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748833304 OHCGCKZDSSFHFX-GOSISDBHSA-N 422.514 1.171 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1748844057 NIQNDBYRHNMGEE-KRWDZBQOSA-N 406.446 1.529 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC[C@@H]1C 1749221318 JPUXYEFHKBSSCT-WDYCEAGBSA-N 424.505 1.869 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749377199 NVQISNIXBZGERB-BBWFWOEESA-N 418.542 1.818 30 10 HDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749447597 ILRFQBQHGMQQJR-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(F)(F)F)C1 1749678068 VAKZEKYHMDTLFL-CYBMUJFWSA-N 414.432 1.481 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749732134 QIWPZEVBAMHVRY-CQSZACIVSA-N 408.484 1.026 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC(=O)N1C 1752311937 HSHVMFADIUWURV-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760185272 UHLWGLDRVGBXKG-HNNXBMFYSA-N 418.494 1.626 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N1CCN(CC)CC1 1760199602 BBEQSXMMWHNESJ-FQEVSTJZSA-N 415.545 1.916 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 1760257694 FGLZYZBUGAECPD-UHFFFAOYSA-N 416.489 1.634 30 10 HDEE C=C(C)COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1760359158 DBARAIRBBXUHRH-UHFFFAOYSA-N 413.522 1.943 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760438870 PNCVIMNFWHYLGR-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)OC(C)(C)C1 1760530484 QOSUCKOETNWLBU-RDJZCZTQSA-N 421.542 1.698 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nncn2CC)C1 1760535694 VNVUZBCSGMNGMZ-OAHLLOKOSA-N 423.481 1.366 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H]1C 1760548626 LYYFSGIKTLRPLH-LSDHHAIUSA-N 418.523 1.761 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 1760590606 HGXHFFUPOWJNNT-CRAIPNDOSA-N 423.521 1.775 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1 1760609745 QKXXADAIAJENRO-HXUWFJFHSA-N 424.505 1.681 30 10 HDEE CCOc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1767649941 HULQORHVFIQELG-SFHVURJKSA-N 422.493 1.711 30 10 HDEE COc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1769018169 BKWISQJXKZMSNB-ZFWWWQNUSA-N 404.496 1.370 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CCC(=O)N2CCOCC2)cc1 1770732658 GTOIKCXXAGLMCJ-UHFFFAOYSA-N 410.478 1.292 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771543287 AKASSTINVOHNDY-OAHLLOKOSA-N 414.491 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)C[C@@H](C)C(=O)NC 1772660530 DEZVORYTVNPAPJ-OAHLLOKOSA-N 405.524 1.364 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C#N)cc1C#N 1851054358 AGMABJAYICMYLO-OAHLLOKOSA-N 409.833 1.896 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)[C@@H]1CCN(C)C1=O 1851732592 XDNOOAAUJHHYKN-YLJYHZDGSA-N 408.502 1.804 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)NC3=CC(=O)CCC3)CC2=O)CC1 1851754766 ZMWXVIKDZOQRGN-AWEZNQCLSA-N 405.495 1.988 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3nncc(-c4ccccc4)c3C#N)CC2=O)CC1 1851856519 NXLUFXQJICOCLQ-INIZCTEOSA-N 404.474 1.896 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCn2ccnc2CC)C1=O)[C@@H]1CCN(C)C1=O 1853788964 XWKDGWVUTIBCPB-DLBZAZTESA-N 401.511 1.072 30 10 HDEE CN1CC[C@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C23CCCC3)C1=O 1854017879 GYFFPDRGUFWBLN-IBGZPJMESA-N 408.502 1.705 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCC(F)(F)C2)C(=O)C12CCCCC2 1854426874 DAEOQDDMGJVFOX-ZDUSSCGKSA-N 403.451 1.649 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)nn1C 1854903391 DPCQHZLBZGFCCA-SFHVURJKSA-N 408.462 1.280 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)CC1 1855145730 DKXFPWZLQQPWOP-HNNXBMFYSA-N 410.474 1.059 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCCc4nc(C)cc(C)c43)CC2=O)CC1=O 1855699625 DPSOWILXSPSGTP-ZWKOTPCHSA-N 410.518 1.861 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(Cc3cn4cccnc4n3)CC2=O)c1 1856380242 BWVRKYZSSYUBMP-UHFFFAOYSA-N 408.849 1.933 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC(Cn4cncn4)CC3)CCC2=O)cc1 1856486064 FLQATHQWVOIDGM-LJQANCHMSA-N 406.490 1.941 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)C2CC3(CCOCC3)C2)CO1 1856508826 NEGNRHMXHJXOHM-INIZCTEOSA-N 406.460 1.613 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)cc3C)C2)CC1=O 1856788435 ZQPZSMYOWJXAGB-HIFRSBDPSA-N 412.439 1.016 30 10 HDEE Cc1onc(C(C)(C)C)c1C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857175744 NYLOMVIOSXIVBO-INIZCTEOSA-N 401.511 1.943 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccco2)cc1 1859010556 RYEKLRLGGXFPPA-JXMROGBWSA-N 402.428 1.700 30 10 HDEE C=CCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861614254 ZROBKAGNFRKHEF-AOMKIAJQSA-N 415.490 1.803 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868796890 YMVYHOFLTFTIGW-MSOLQXFVSA-N 418.563 1.903 30 10 HDEE C=CCn1cc(OCC(=O)N(C)C[C@@H]2CCCO2)c(=O)cc1CN1CCC(O)CC1 1870547730 LIBKXMOXTJDNQZ-IBGZPJMESA-N 419.522 1.007 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)NC[C@@H]3CCCO3)CC2)CC1 1889407044 PQOISXGVUOVXPL-NRFANRHFSA-N 406.571 1.385 30 10 HDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)CS2 1891266374 RWNXBDWDNVCLTA-KBPBESRZSA-N 412.475 1.320 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1CO 1981509841 SKEWJTCSVXIQMU-VXGBXAGGSA-N 413.334 1.432 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1ccc(C#N)c[nH]1 2046023960 WPSYHBUGIDBPGC-GOSISDBHSA-N 402.407 1.141 30 10 HDEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(-c2ccncc2C#N)c1O 2080623878 NVWUFAYXIQMUDD-UHFFFAOYSA-N 400.353 1.139 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1nc(C#CCO)ccc1Cl 2224197987 LBCFETKCABBZGC-UHFFFAOYSA-N 419.846 1.117 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)C[C@H]1CCCCS1(=O)=O 2235503719 YYKSAOYAHFFMNB-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE Cc1cnc(C(=O)NCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2243436191 DCVLNHNNVGAIRO-UHFFFAOYSA-N 405.304 1.944 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820511 PWNFRVOOCNYZFR-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CN1C[C@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2251302462 ZZMQMUIQIWVPAC-ATWMFIQVSA-N 423.319 1.368 30 10 HDEE Cn1cc(C(=O)NCc2nccn2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2255625589 UCHYVDJFIVHQCH-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255832904 UADOLOIURJKGGC-VQIMIIECSA-N 424.354 1.970 30 10 HDEE C#C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167590 DMTDOQITRRMJQU-OIISXLGYSA-N 408.476 1.176 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCOC[C@@H]3CO)c2Cl)OC1(C)C 2281933094 VAVHWXONUKJYRN-JQWIXIFHSA-N 401.721 1.828 30 10 HDEE CCc1nc(C(=O)N[C@H](C)[C@@H](CO)SC)c(B2OC(C)(C)C(C)(C)O2)s1 2282031586 UYUUBELEDSNUJA-GHMZBOCLSA-N 400.375 1.847 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282195223 KEKDIKCVQYGFMJ-GFCCVEGCSA-N 401.359 1.990 30 10 HDEE CC(C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2282334888 HUYUGHOJFUPRLJ-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE CCOC(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282505060 YAYWHKJYDMBMSB-UHFFFAOYSA-N 403.693 1.481 30 10 HDEE CC[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506649 VNWIOVAZOIPRQD-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE CN(C)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282509951 ROOLGPNEUBBYGQ-UHFFFAOYSA-N 400.737 1.574 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2282571174 ABYQWBDSTQZKGT-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282617840 IZUAEORLSGIYRR-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@@H]3COC[C@H]3O)c2Cl)OC1(C)C 2282647057 XHBQXFUPQHKUIG-ZYHUDNBSSA-N 401.721 1.828 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@H](O)CC2)OC1(C)C 2282834683 XFEZKXFJYBBKKG-GFCCVEGCSA-N 402.347 1.119 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](CCO)C1 2282835571 WSLQZNOGOKKIPG-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2C[C@H]21 2282839779 AGMLOBRLRJCSJM-VXGBXAGGSA-N 418.777 1.778 30 10 HDEE CC1(C)[C@@H](N)C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842612 AOWZSSGISQEYRN-STQMWFEESA-N 400.375 1.593 30 10 HDEE COCC[C@@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282847172 VFYMSJAJSASBPH-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282847270 WWWWWAYSLBJGNC-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)OC1(C)C 2284395880 QLJLDWUGRNWHAB-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC[C@@H](C(=O)O)C2)OC1(C)C 2284397038 HPXKNVOWMPGWTR-GHMZBOCLSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)CCOCCF)ccc2Cl)OC1(C)C 2365579233 FPFYMIFUBVMFPP-UHFFFAOYSA-N 408.688 1.762 30 10 HDEE CO[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367785278 RFFXVZWWDITFGI-DNVCBOLYSA-N 400.541 1.701 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367786372 HOVRQSFOWJQMFS-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367787426 LOTUIXMDZDKPCH-OWCLPIDISA-N 401.525 1.590 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CO1 2367801443 RWPGXVOUKCWGTL-HRCADAONSA-N 400.541 1.604 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CNC(=O)OC(C)(C)C)C1CC1 2367830356 IKEHGWHLOCXYOR-KXBFYZLASA-N 400.541 1.211 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2c(F)cccc2I)CC1 2367837328 UJYCMWDWWDXBKF-NSHDSACASA-N 408.236 1.515 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)[C@@H]1CCS(=O)(=O)C1 111048011 AAEYXRURGSBFCM-CQSZACIVSA-N 420.516 1.421 30 10 HDEE O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 145955140 QHDZNFSMOJVIIL-OLKYXYMISA-N 422.477 1.638 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 306122450 UXZCDTDGPVVXFM-OBRQCIOISA-N 420.502 1.323 30 10 HDEE CO[C@@H](C)c1nc(CN2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cs1 409804947 IBMUZCJLEIKXKW-KGLIPLIRSA-N 403.512 1.609 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)CC1 468399312 JCFXVGHEODDFNJ-UHFFFAOYSA-N 411.550 1.977 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)Cc2ccc(C#N)cc2F)cn1 486648198 CULKISZOKAFMCQ-MRDQGFSESA-N 410.496 1.549 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 505672235 YJUYTBYGXLSFNI-QKNQBKEWSA-N 417.469 1.784 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4nccc(C#N)c4[N+](=O)[O-])CC3)C2=O)n(C)n1 507917462 KAENTOAWAYFLPS-INIZCTEOSA-N 424.465 1.221 30 10 HDEE Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508554755 UUWYNSBFCSGKIB-UHFFFAOYSA-N 400.446 1.859 30 10 HDEE CC(C)(CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)N1CCS(=O)CC1 512324220 QQXRZQDUWWSXLR-UHFFFAOYSA-N 420.554 1.873 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 522388228 BQHYBXMQHYWHKE-KRWDZBQOSA-N 411.527 1.992 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ncccc2C#N)CC1 532758375 LIETYOQMUPDOHC-DENIHFKCSA-N 418.545 1.854 30 10 HDEE CN(C)C(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 540560092 DXMNJSFAMZMMGX-KRWDZBQOSA-N 403.552 1.257 30 10 HDEE CN(c1ccccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(C)(=O)=O 546217607 XFVCKOYVRMZRGD-UHFFFAOYSA-N 414.491 1.703 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC)CC1 557003638 LOWFRKMADFYGKK-INIZCTEOSA-N 413.544 1.194 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCc1ccccc1 565274743 WPFAXZIIIYELTJ-SFHVURJKSA-N 419.551 1.866 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 583582801 CVOMDIBWKIWRKT-LJQANCHMSA-N 421.567 1.997 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc(Cl)cn3)CC2)c(F)c1 586862497 YQBXEFVXYAJZHC-UHFFFAOYSA-N 401.829 1.711 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]3CCCO3)c2=O)o1 590914067 RVWSBYUBWYDDTN-MRXNPFEDSA-N 415.515 1.266 30 10 HDEE C[C@@H]1C[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1C 610177697 AJKDENWWZNVKIN-VQIMIIECSA-N 418.563 1.900 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 611430195 OLMXKYVPNRDELX-SFHVURJKSA-N 406.552 1.320 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2cc3c(cc2C(=O)O)OCO3)c1 614769322 KMVMYESNBSUKPI-UHFFFAOYSA-N 404.400 1.830 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCC1 679530736 NMZIMDGPHHUSPA-UHFFFAOYSA-N 405.451 1.197 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCC(=O)O)Cc2ccccc2)cc1 728155305 YBUHTLKVFXOQNE-UHFFFAOYSA-N 400.456 1.715 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O 730144113 XRSRDLDTMLJHEA-DLBZAZTESA-N 404.536 1.865 30 10 HDEE C#CCN(CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 731213507 DUSORWPGGQZCMY-AWEZNQCLSA-N 403.331 1.774 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 734215033 FQXYDQBMDYTPFQ-UWZWCOGJSA-N 407.471 1.212 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740179390 TZHFESIBKFOSOP-KBXCAEBGSA-N 416.455 1.991 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCc1nc(COc2ccc(F)cc2)no1 741339733 AOZGZRSLGJYUGA-VHEBQXMUSA-N 416.365 1.747 30 10 HDEE C[C@H](NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(Cl)cc1 741340867 HIGUURHGKSXCAI-RUWSDDDDSA-N 405.838 1.977 30 10 HDEE C[C@@H](Oc1cccc(Br)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 742071640 GQKVSCIXJMCQRG-PTGFTAGUSA-N 408.252 1.859 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@]2(CCCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 746875720 XJSLEMKEHHQNNO-FOIQADDNSA-N 405.520 1.923 30 10 HDEE COc1ccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)cc1O 748196342 XTDYKWHBPSTQHN-UHFFFAOYSA-N 400.391 1.075 30 10 HDEE C#CCN(CC#C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 752301081 FQTKTOWHBJSCND-UHFFFAOYSA-N 409.511 1.241 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1c1cccnc1 757606484 SAYIBJWSTVVPFX-HPFXQQBRSA-N 413.478 1.476 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 757851725 QBRZEYPDJUFBKN-SFHVURJKSA-N 408.543 1.920 30 10 HDEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 765730384 MRQXYSZWSAOQGD-GOSISDBHSA-N 402.476 1.070 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 766985707 DXTBQQCYOWVHPI-HUUCEWRRSA-N 414.439 1.947 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1-n1ccc(C)n1)c1cc[nH]n1 772396852 MGZBHGWVGSFTCT-UHFFFAOYSA-N 410.434 1.504 30 10 HDEE COc1cc(CNC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)cc(OC)c1OC 780204397 GRNARMBWVFEZJK-LJQANCHMSA-N 414.414 1.477 30 10 HDEE COC(=O)C1CCN(C(=O)[C@@H](OC(=O)[C@H](O)c2ccc(C#N)cc2)C(C)C)CC1 780213967 JVMPSWVBOKPARE-MSOLQXFVSA-N 402.447 1.571 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(CCCN2CCOCC2)CC1 780827518 HORFOFZACPAKIW-FMQUCBEESA-N 419.526 1.047 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)c1 781688235 WLZBQWICQULNDT-UHFFFAOYSA-N 402.461 1.400 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)cn1 784125675 KZODYCRRPMAOCY-HNNXBMFYSA-N 418.523 1.393 30 10 HDEE C=C[C@@](C)(CCOC)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 784625066 XQEZPUXQRKEMEQ-SFHVURJKSA-N 400.497 1.432 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1 788544323 DFAQBWMPCIIJEV-UHFFFAOYSA-N 422.489 1.995 30 10 HDEE C=CC[C@]1(C(=O)OCCN(C)S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 791804675 KITBTGBKFXHYAL-GOSISDBHSA-N 419.544 1.614 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)cc1C#N 793367875 BMXFBIQMKFIPNK-UHFFFAOYSA-N 405.867 1.652 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)NCCNc3ccc(C#N)cn3)CC(=O)N2C(C)(C)C)cn1 794924599 KKSGTFFQBYZLBV-APWZRJJASA-N 409.494 1.603 30 10 HDEE C[C@H](CC(=O)OCC(=O)[C@@H]1Cc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 795528763 DJJRURJCMGYORL-CXAGYDPISA-N 412.467 1.956 30 10 HDEE C[C@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)C[C@]2(CCO[C@H](C)C2)O1 797417425 RQRVDFSVQPXYMG-HYFFOGBASA-N 412.490 1.938 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1 807932520 BSZFRVYCMMJOOE-MRXNPFEDSA-N 414.491 1.624 30 10 HDEE CCOC(=O)c1c(NC(=O)COC(=O)CC2(C#N)CC2)sc(C(=O)NC)c1C 815415174 GPUOHHXSJHLITF-UHFFFAOYSA-N 407.448 1.768 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c1O 1084142665 ZUMSRRSEKHQGFE-UHFFFAOYSA-N 417.451 1.154 30 10 HDEE Cc1c(C#N)cccc1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1116930609 FZXKRSYLXZUSHP-UONOGXRCSA-N 415.471 1.937 30 10 HDEE CN1C(=O)CO[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1cccnc1 1125787647 GXKWJRKSQSODNF-RTWAWAEBSA-N 420.473 1.032 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc(OC)c1OC 1127752873 ANILTQGYIRRGAD-AOMKIAJQSA-N 409.442 1.851 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]2CC[C@H]1C2 1135772491 ALRCCRDKLSLEMI-ZWOKBUDYSA-N 403.504 1.654 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1139172722 SESLRMUCROKDGG-UHFFFAOYSA-N 408.867 1.719 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1 1154958680 INQDAXHMNXPZFR-UONOGXRCSA-N 408.480 1.253 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1154958973 NALUWUIWIXDWQQ-WMZOPIPTSA-N 416.547 1.354 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccc(-n3cc(Br)cn3)nn2)cc1 1155847048 QGZHPYUEDGQWMV-UHFFFAOYSA-N 417.223 1.474 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1159469548 FSXNXQASYNHYGM-AEGPPILISA-N 422.507 1.397 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1213332751 AANROPYZNWDKTL-CQSZACIVSA-N 404.533 1.016 30 10 HDEE C#CCN(CC#CC)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1248619832 GPEULWBJHLYJMT-MRXNPFEDSA-N 411.524 1.079 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CC[C@@H](OCC=C)C3)c[nH]2)C1 1254564188 CQPDKDFSJTXTGP-HZPDHXFCSA-N 409.508 1.397 30 10 HDEE Cc1occc(=O)c1OCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1264644997 JVWKJLRARJUXPH-HEHNFIMWSA-N 419.459 1.779 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286315112 UNYFBVJQRCKKQZ-NRFANRHFSA-N 407.478 1.445 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1286363875 SXNKWYDSKYXTFD-QGZVFWFLSA-N 414.510 1.351 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCNC(=O)c1cc[nH]n1 1286406340 SXSFKMDNVBAPHD-UHFFFAOYSA-N 407.865 1.824 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[S@](=O)C(C)(C)C 1286468602 CCFDOXXUBDSNAJ-NDEPHWFRSA-N 409.556 1.034 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCO[C@@H]2C2CC2)CC1 1286470921 FNVJSTVVAYMTQQ-XMSQKQJNSA-N 414.554 1.377 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)C(=O)NC)CC1 1286482339 QEAUUEGLPOTRNW-UHFFFAOYSA-N 412.513 1.535 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(OC)CCOC2)CC1 1286490028 GGQPGVLQHCOZEM-NRFANRHFSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286506244 HFHBMDURXZNUOT-CVEARBPZSA-N 412.581 1.900 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286819097 ZXBUAWONKJMQQM-HZPDHXFCSA-N 417.539 1.009 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1288976819 FQHXOZOPOKZNKQ-DYVFJYSZSA-N 414.432 1.981 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)c2nc(C)cc(O)n2)s1 1300180383 UKYMEWZINCGDDI-UHFFFAOYSA-N 410.521 1.610 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(C)cn1 1300286323 HZOLQBGVZLJEEO-MRXNPFEDSA-N 402.466 1.584 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1300471724 MGQXCDMBIZVQNK-HNNXBMFYSA-N 404.515 1.725 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1 1300552313 UHPATMLDQZSMHW-BTYIYWSLSA-N 402.447 1.762 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC=C 1300569957 VZSXWVNSTVLEKD-UHFFFAOYSA-N 407.474 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(=C)C 1300578544 LVRXOJMWTMHPOH-QRVBRYPASA-N 416.547 1.624 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C)C1CC1 1301320791 NLEZOIHDEWSGEY-UHFFFAOYSA-N 421.509 1.944 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccco2)C1 1301535873 PJPNZINBGWYQQK-OAHLLOKOSA-N 416.482 1.221 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCO2)C1 1301540114 ZIZDRQTTWZBGAI-OWCLPIDISA-N 411.528 1.015 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCCCO1 1301577371 IOFJAOATIATOOA-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1301588968 MXSGOONGHBGDLI-JKSUJKDBSA-N 414.572 1.708 30 10 HDEE COCCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1301900079 WKGXEDAGOYBJEJ-HNNXBMFYSA-N 410.482 1.348 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(S(C)(=O)=O)CC1 1301999752 IRBRFGUGRJRLNV-AWEZNQCLSA-N 411.528 1.319 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1302429296 NPIGPWJZOFLGSU-CABCVRRESA-N 411.499 1.374 30 10 HDEE Cc1cc(O)nc(C(C)(C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n1 1307767627 FEKXNDNWENZXTI-OAHLLOKOSA-N 414.535 1.786 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@H]1CC(=O)N(C2CC2)C1 1309403244 RJWUEHOCNMKZCG-OALUTQOASA-N 420.531 1.742 30 10 HDEE COc1ncc(NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1C#N 1311194408 DKZOEDFOCBDPNZ-UHFFFAOYSA-N 418.461 1.837 30 10 HDEE Cc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1C#N 1312584760 HEBAQJNIZLAZSX-UHFFFAOYSA-N 408.430 1.923 30 10 HDEE C#CCC1(NC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CCOCC1 1313047456 XLTXMRYBQVEXFK-UHFFFAOYSA-N 419.482 1.579 30 10 HDEE COC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1315944748 RADFUMAAVQRRHB-MPGHIAIKSA-N 401.467 1.925 30 10 HDEE C[C@]1(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS(=O)(=O)N1 1358324129 AHGRXJKVRYPANJ-HXUWFJFHSA-N 413.503 1.227 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1359000298 REDYISKSMVRWDL-DOTOQJQBSA-N 405.524 1.736 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1359030820 GXRWBSDDUUJEPJ-DBXWQHBBSA-N 405.518 1.824 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359131930 JIHGLZPFGHZLBK-KRWDZBQOSA-N 416.526 1.905 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359215615 GDHORZALTQXGQK-DLBZAZTESA-N 409.556 1.451 30 10 HDEE C=CC(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1441731977 CYVDQBQMFMPDIR-FXBPSFAMSA-N 406.508 1.863 30 10 HDEE CC(C)CN(CCC#N)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1442356781 XJSDGUHMWVEBQR-UHFFFAOYSA-N 400.888 1.115 30 10 HDEE C[C@H](CC(=O)NC1(C(=O)N(C)C)CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1449830848 HDZLJTGRHOVLLI-CQSZACIVSA-N 420.535 1.411 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1451972772 LTBCGWJWXYPCQU-RYUDHWBXSA-N 409.372 1.137 30 10 HDEE C[C@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)OCCc2ccccc21 1455223183 ALPRPHTUCJYHCL-OAQYLSRUSA-N 413.499 1.720 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2S(C)(=O)=O)c1 1455559978 FRSAGEIFGKLVJQ-UHFFFAOYSA-N 422.528 1.527 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4n[nH]c(C)n4)CC3)ccc2c1=O 1457904625 KCYVIYKEKKRPJP-UHFFFAOYSA-N 411.491 1.260 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CCC1 1462958389 IOUZQXAMSSREDK-UHFFFAOYSA-N 422.503 1.919 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CCCn3ncnc32)nn(-c2ccc(F)cc2)c1N 1464101886 QDMDNBMKSWWUGA-HNNXBMFYSA-N 408.441 1.683 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CCC(F)(F)F)cc2)CC1 1465809290 YFMHISKVGWRELD-UHFFFAOYSA-N 418.441 1.799 30 10 HDEE C=CCCn1cc(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1467878648 GKCBZABYVSSZKC-MRXNPFEDSA-N 404.515 1.621 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1469508917 FCZPGJUVOJORKN-UHFFFAOYSA-N 414.427 1.380 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)nc2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1471717806 GCSNBCFAOPAYOV-YJBOKZPZSA-N 417.510 1.466 30 10 HDEE N#Cc1cccc(-c2nnc(CN3CCN(C[C@@H]4CCCS4(=O)=O)CC3)o2)c1 1473718519 MCIAYSCIIBAOTH-KRWDZBQOSA-N 401.492 1.303 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3ccccc3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1473851193 YQPCSKOZWJBIOF-HTAPYJJXSA-N 423.494 1.726 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1475590581 CCIPOOGNJGMYNW-UHFFFAOYSA-N 418.562 1.586 30 10 HDEE CNC(=O)CCn1c(-c2cnccn2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1503812777 DOPPSEGXAIEBIM-UHFFFAOYSA-N 420.477 1.396 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507636656 CJERQVXWINEOFK-IRXDYDNUSA-N 410.540 1.401 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507648247 XPUOLGUNOZPOKI-SFHVURJKSA-N 411.531 1.608 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1CCN(C(C)=O)CC1 1507672039 VDTDAEZWNQOSBX-UHFFFAOYSA-N 404.518 1.985 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507723303 CQMXMEOJICOBFT-OALUTQOASA-N 413.570 1.105 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1507783612 DDHNZROPIQPZMJ-FRRDWIJNSA-N 419.345 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508081753 ONHAATQQCAXPEW-CYBMUJFWSA-N 415.885 1.115 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CCO1 1509838517 AIBDJKBXJGZREQ-IBGZPJMESA-N 422.493 1.739 30 10 HDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)n[nH]1 1511562672 DDEOCMDWYWUIQK-ZDUSSCGKSA-N 405.466 1.153 30 10 HDEE Cc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511838502 XENAKXDHDNPFAJ-JLMFCZBYSA-N 400.483 1.508 30 10 HDEE CO[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)C 1517808407 DPNLWEFESQREAC-HOCLYGCPSA-N 412.560 1.689 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN(C(C)=O)C1 1519404904 PAIAKGRWPAJBFR-WNHJNPCNSA-N 418.542 1.999 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1521143234 GZJRSDSBFFEEGP-ZDUSSCGKSA-N 400.405 1.591 30 10 HDEE COCCNC(=O)CSc1ccccc1C(=O)N1CCC(C#N)(C(=O)OC)CC1 1521310184 SCRXOGUAOQRDEX-UHFFFAOYSA-N 419.503 1.460 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1532114962 YTJFRKZINSXAHR-UHFFFAOYSA-N 403.464 1.093 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1532325511 WRRAQMQNJUHZEO-MAUKXSAKSA-N 405.520 1.672 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@@H](c3ccc(C#N)cc3)C1)C2=O 1536663211 IYYKRYGMNLMEQM-GXPWMBGSSA-N 410.474 1.959 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@H]1C(=O)OC 1537797779 VMWUKQGODYXFIB-HUUCEWRRSA-N 405.476 1.391 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1cnnn1C 1539162667 WJPFUZWEIRAHMN-UHFFFAOYSA-N 416.283 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](C(C)C)N1CCOCC1 1539271765 KDUHBWOCPGOLNG-NRFANRHFSA-N 406.534 1.694 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC12CCOCC2 1539401303 ZQXAMKIGLYIKAS-GCJKJVERSA-N 418.538 1.833 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 1539444055 FBUBSQAIOPOLRU-IBGZPJMESA-N 405.506 1.991 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1539632432 RUXZVJOOXDBVDP-BZSNNMDCSA-N 418.542 1.962 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 1540686901 QLYMSRZSLCHAFQ-UHFFFAOYSA-N 401.488 1.806 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 1545529140 FMPGCOWTJGGSLL-SJORKVTESA-N 420.506 1.975 30 10 HDEE CC(C)(C)OC(=O)Nc1cnn(C(C)(C)C(=O)N2CCN(C(=O)CC#N)CC2)c1 1545534230 ASGRXNJJXFRYIZ-UHFFFAOYSA-N 404.471 1.550 30 10 HDEE CCCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547011147 HHYFNICTUOQZMW-FQEVSTJZSA-N 417.535 1.993 30 10 HDEE CCCN(C)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1547100460 IDPYVVQHLSPTBB-QAPCUYQASA-N 411.510 1.910 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1554470312 QZXASOKYNVVSLJ-INIZCTEOSA-N 409.494 1.304 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1555988555 GTSRBBWAJIUSMW-QGZVFWFLSA-N 423.477 1.361 30 10 HDEE CCN(CC)CC[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1556402543 UIBHHHRHJWZHJK-YHHIVYBXSA-N 422.570 1.982 30 10 HDEE Cn1cc([C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C2(CO)CCC2)cn1 1556736052 WJPNMBSQHABMDV-QGZVFWFLSA-N 420.466 1.490 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(CN4CCOCC4)C3)C2)C1 1556761584 FZBPJQPFGSOLTH-DKTYTTGXSA-N 418.538 1.564 30 10 HDEE C#C[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1556782086 WEVVQKUGYHZBRL-MRXNPFEDSA-N 423.288 1.966 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)cc1 1556797827 JGYSEHHIYJYKLL-INIZCTEOSA-N 416.463 1.095 30 10 HDEE C#CC1(O)CN(c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2[N+](=O)[O-])C1 1559296651 YXAJNYICHMQTJF-UHFFFAOYSA-N 401.444 1.994 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)n(Cc2ccccc2)c1C 1560043563 DCDQGYORZBSHTO-SFHVURJKSA-N 409.490 1.540 30 10 HDEE CCOC(=O)CN1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1566217016 JUCVSFURJIVNQL-UHFFFAOYSA-N 421.538 1.734 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1568251897 FGPJRPOQWWDVJK-JENIJYKNSA-N 403.479 1.644 30 10 HDEE N#CC1(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)CCOCC1 1583184281 IYGPKXVUYHBKSD-UHFFFAOYSA-N 401.282 1.802 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Oc3cccc(OCC#N)c3)C2=O)cc1 1584858188 LUPYEYUQVXTRNO-NRFANRHFSA-N 409.398 1.970 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCC1 1587561999 JSEOYSLKDVOZQP-HZPDHXFCSA-N 411.572 1.943 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1587568416 PZCQDCXSRQWOML-IERDGZPVSA-N 419.526 1.867 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC(C)C)C1 1587862041 SOJNDEXXJHTXPZ-MSOLQXFVSA-N 423.583 1.897 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)OCC 1588122658 RFJQPFBLIGSVLP-UKRRQHHQSA-N 412.874 1.073 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1 1589516097 WOFKEQQNYWFZNO-WBVHZDCISA-N 403.508 1.556 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2cnnn2)CC1 1594182350 ZTMSOFSBYOTRBC-UHFFFAOYSA-N 401.519 1.676 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1595156038 DYMQNVOPLXMFSO-CYBMUJFWSA-N 424.477 1.865 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1595523332 UKLCHLXGVAWMCF-INIZCTEOSA-N 411.510 1.335 30 10 HDEE CC(=O)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 1616057588 JSHANEVQVKNTMY-RUIRWZRLSA-N 410.473 1.355 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCC[C@H]1C 1619913493 FKPQXULPPVPXAS-UZLBHIALSA-N 404.515 1.318 30 10 HDEE COC(=O)[C@@H]1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H]([C@@H]2CCCO2)C1 1620605156 AQJFJTAHOUHUPL-JYRKZWEQSA-N 402.491 1.925 30 10 HDEE N#CCCN1CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 1622470957 HJIMUHUPDNJVIX-UHFFFAOYSA-N 416.297 1.440 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)NC)cc2)c1 1623904404 JPOXVCPULPOVJE-UHFFFAOYSA-N 406.485 1.644 30 10 HDEE COc1cc2nc(C(=O)N3CCN([C@@H](C#N)C(C)C)CC3)c(=O)n(C)c2cc1OC 1626657665 BHVLSBAQDDKUPA-INIZCTEOSA-N 413.478 1.257 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(C)cc1)N(C)C)c1cc[nH]n1 1627019075 AJGOKSUPNOASTJ-KRWDZBQOSA-N 401.467 1.421 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@H](F)C(F)(F)F)cc2)CC1 1627207001 ZTZNXPWEZUCNOX-AWEZNQCLSA-N 422.404 1.877 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(n4ccnc4)CC3)C2=O)cc1 1627269957 HYHUWJLSGDKEEL-SFHVURJKSA-N 406.446 1.823 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1627367155 BEQKGIMXVPTETA-KYJSFNMBSA-N 410.923 1.726 30 10 HDEE C=CCC[C@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1627412951 WTPVCWLWVMZBOU-MRXNPFEDSA-N 420.535 1.512 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 1627752008 NZCMYGXNOFVWGL-QGZVFWFLSA-N 408.520 1.456 30 10 HDEE N#C[C@@H]1COCCN1C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1629045339 AWSMTQNUTOLPAK-QVKFZJNVSA-N 421.453 1.637 30 10 HDEE C#CCN(CC(=O)NCc1cccc(S(=O)(=O)NCC)c1)C(=O)OC(C)(C)C 1629554297 LQGZFWJWZACCEQ-UHFFFAOYSA-N 409.508 1.471 30 10 HDEE CN(C[C@@H](O)c1ccccc1Br)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1629985818 TZMBTWODVRUTFP-ZDBRSUKYSA-N 422.279 1.857 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCn2cc(C#N)c(O)nc2=O)CCCCCC1 1630030849 YOLNCCHGHWDCRH-UHFFFAOYSA-N 404.467 1.619 30 10 HDEE CC1(C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@]1=O 1635576608 NVTAKGRJDBWPGK-AREMUKBSSA-N 411.549 1.265 30 10 HDEE CCn1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)c(O)nc1=O 1639113971 UUAUARSWUNDTJY-UHFFFAOYSA-N 416.869 1.526 30 10 HDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1639873813 GVHMTDLRZLCWPA-MOPGFXCFSA-N 424.538 1.509 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]([C@@H]1CCOC1)C(F)(F)F 1639956800 UOQHVLCQUJYQSX-IAQYHMDHSA-N 419.425 1.589 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1641631160 HOQOQWHGKUJZIJ-IRXDYDNUSA-N 423.558 1.347 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)NCC)ccc1F)C(=O)OCC 1642683888 TVKGTHDBFYNJLI-CQSZACIVSA-N 406.863 1.928 30 10 HDEE C#CC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1643563210 VUWBXGLUOTUZDZ-QZTJIDSGSA-N 419.547 1.770 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1643762661 LMYVHNDSNOVJPA-NSHDSACASA-N 410.862 1.412 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1644285333 NNWBGPIHBZYEQT-UHFFFAOYSA-N 409.817 1.584 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3nc(-c4ccc(F)cc4)cs3)C[C@H]1CS(=O)(=O)C2 1644637419 XQWLYFVUXCIIIQ-UGSOOPFHSA-N 420.491 1.758 30 10 HDEE O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NC[C@H](O)C(F)(F)C(F)(F)F 1650957374 BXFZLSYGWLRUNB-QMMMGPOBSA-N 411.249 1.649 30 10 HDEE C=CCN1CC[C@H](N2C(=O)N[C@H](c3cc(Br)ccc3OC)C2=O)C1=O 1651831631 QPKHOMBGOILKIZ-GXTWGEPZSA-N 408.252 1.838 30 10 HDEE COCCOC(=O)CSCC(=O)N1CCN([C@H](C#N)c2ccc(OC)cc2)CC1 1656503431 AMQJKDDBIXBZNT-GOSISDBHSA-N 421.519 1.327 30 10 HDEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCOCC1 1658401866 UKECMUKDZWEKPX-SJORKVTESA-N 422.323 1.993 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1665225651 ZDOZFXFLTPEUNB-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1672901800 CKXIXQOOGKTKBS-ZBFHGGJFSA-N 412.468 1.443 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)n1 1673369802 KVODWLKHVBROAY-CQSZACIVSA-N 404.389 1.558 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)NCC)CC1)c1ccc(Br)cc1 1674026155 TZDQPDHJEOIBJB-MRXNPFEDSA-N 407.312 1.587 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2cncn2)c1 1675166786 ASGUANOAPZQEJI-UHFFFAOYSA-N 404.478 1.807 30 10 HDEE C#CCN1CCC(NC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1679479081 VIBXEBSQHIDJGS-UHFFFAOYSA-N 418.563 1.378 30 10 HDEE C[C@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCN1S(C)(=O)=O 1682384313 ALNDUZIPZYTTDN-INIZCTEOSA-N 419.551 1.198 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1689988832 WVGPPUYCLIHPII-MRXNPFEDSA-N 401.492 1.234 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1690133702 QLLKFAXOJFCTOJ-UHFFFAOYSA-N 406.531 1.437 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690723303 NEEKYDXFDOSYRP-IBGZPJMESA-N 410.540 1.531 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1692741547 HBATXAHYISXOJW-LAUBAEHRSA-N 417.558 1.515 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC(F)(F)CO1 1694737343 AZJRANQAAHILPX-HNNXBMFYSA-N 403.437 1.858 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1705557644 UYPQBJXXBPVHEW-UHFFFAOYSA-N 409.450 1.088 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1705580720 PNXVBSLQHRSXNG-UHFFFAOYSA-N 414.473 1.673 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1 1705581246 WZLMWJLPJHOIPL-LJQANCHMSA-N 408.481 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2cncn2)nc1 1705581876 NDBQIDZTMWXFKX-GOSISDBHSA-N 402.462 1.617 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(C)COCCO2)CC1 1705636477 MAZNYYIXNGJRNT-FQEVSTJZSA-N 416.913 1.554 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccccc2OCC)CC1 1705638128 ZSDZRDXTWUWXCE-UHFFFAOYSA-N 403.490 1.937 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1705695378 WDXBLFVMFNVQNG-CRAIPNDOSA-N 418.542 1.456 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1705846482 IDERUQSPZAECLY-FQEVSTJZSA-N 424.549 1.638 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1705846757 RDBYTKOXCBXQPS-UHFFFAOYSA-N 420.535 1.462 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1706058911 QJVCBBXGGPKWDL-UHFFFAOYSA-N 423.477 1.422 30 10 HDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1706059957 ZOLADDVUEYZDHF-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1711507219 GFDIXCJSYKTSFU-MRXNPFEDSA-N 423.521 1.252 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nccnc1C 1712530670 LSYIIXOVCJBCLF-DNVCBOLYSA-N 403.462 1.785 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1OC 1712530826 NEZNLHDUJHNFDF-IFXJQAMLSA-N 404.446 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1722300030 WGQBZKRGWZCSIZ-GOSISDBHSA-N 415.586 1.132 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722364144 JFVFYAARWUCSML-QFBILLFUSA-N 413.547 1.664 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1722373921 OIDARFJUUOVTTB-SFTDATJTSA-N 402.495 1.197 30 10 HDEE C[C@H]1CCCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1726575210 AJLPRIFRHACYRG-PKOBYXMFSA-N 412.542 1.919 30 10 HDEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1730540716 OFVSBVKJNIACNX-SFHVURJKSA-N 403.418 1.025 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1730881878 XJSAQSPPPCLXKI-SJORKVTESA-N 407.515 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C2CC2)CCC1 1740646212 SKJGZBZPADZHJA-MRXNPFEDSA-N 403.552 1.932 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1740817661 OQYZNYKLKRHLTP-SFHVURJKSA-N 404.559 1.810 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1740877242 ZGVWQGHRQQXYIY-DLBZAZTESA-N 411.572 1.856 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1740944067 OCFVGQRNXYGUIZ-UHFFFAOYSA-N 403.306 1.207 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740960486 SSRIXARAUWADDV-KRWDZBQOSA-N 413.526 1.685 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1744349113 QUQJHPMIKAKBSH-SJORKVTESA-N 423.477 1.224 30 10 HDEE CCc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744595562 UMTOIQAWILCOFC-MJWGMMHASA-N 414.510 1.498 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748925490 JLZJMUDCUQQFIA-KRWDZBQOSA-N 417.535 1.540 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCOC1 1748950447 KGXBAQUHZMWUER-NRFANRHFSA-N 416.478 1.200 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCC(=O)NC1CCCCC1 1748959135 NRRMGJFTGCGDOZ-UHFFFAOYSA-N 411.510 1.660 30 10 HDEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cs1 1749451006 AJZSBGHOGDVJTG-UHFFFAOYSA-N 423.502 1.794 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1749590233 UORXRFSJLRFBER-MRXNPFEDSA-N 412.494 1.507 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCC2)C1 1749705845 KRNWEXOJWHSWEG-QGZVFWFLSA-N 411.510 1.919 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1749741092 OYODCSWBUZHIRQ-LJQANCHMSA-N 407.540 1.429 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@H]2C)CC1 1749884045 FZNWZCCIWHWGLI-QGZVFWFLSA-N 423.521 1.206 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1ncn(C)n1 1750148066 QTYHUADPZILPOQ-QOKNQOGYSA-N 400.487 1.309 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1751093852 ZDEXBPUGEQVUTD-CYBMUJFWSA-N 421.461 1.891 30 10 HDEE C[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1751148370 CCRRBXYEVRARLC-ACJLOTCBSA-N 405.503 1.662 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752160744 DRVIAQBOVUHGJD-HYLQGWQCSA-N 414.510 1.935 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1760130653 KREJNMLNAMVEMJ-MRXNPFEDSA-N 411.572 1.945 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1760252582 RXGAIZRMSHJDKZ-LAUBAEHRSA-N 402.543 1.519 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCOC)C(=O)C1 1760441215 APQPJPWWPFQRBV-UHFFFAOYSA-N 423.521 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760524384 WOMSGABDPJUPQD-KRWDZBQOSA-N 416.526 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CC[C@H](OC)C1 1760557497 NGCCICSYSAIHIN-SFHVURJKSA-N 420.535 1.991 30 10 HDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1760623342 UGURWOVYQHQCFK-FUHWJXTLSA-N 403.531 1.075 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1760696194 FZYUHOPYRGZRCL-BPQIPLTHSA-N 409.494 1.652 30 10 HDEE CC(C)(O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1760814765 AHWVCWPUQRRDKT-IBGZPJMESA-N 421.498 1.952 30 10 HDEE CCc1cnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)s1 1764581518 HDQDAKKHNWHCKH-VXGBXAGGSA-N 411.557 1.694 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1769333534 ZMYRTMVDRXYOLR-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1771539695 IEXGAKBNPOVLST-DLBZAZTESA-N 407.540 1.737 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CCC(=O)NC1 1848788753 UTEFVLAKJKBYMO-MOPGFXCFSA-N 402.491 1.564 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)cc1 1848949219 FWZWYWATYPPCQV-QGZVFWFLSA-N 418.453 1.989 30 10 HDEE CN1CCN([C@@H](CNS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2)CC1 1848966971 PIUCZJONSKNMAE-FQEVSTJZSA-N 402.495 1.964 30 10 HDEE CCN1C(=O)CN(CC(=O)Nc2c(F)cc(C#N)c(F)c2Br)C1=O 1851288119 RUAHTSGEYRDXFK-UHFFFAOYSA-N 401.167 1.822 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=O)N2C(=O)CCc2ccc(C#N)cc2)cc1 1851634093 RGQIJVHRVLKDGO-UHFFFAOYSA-N 413.455 1.864 30 10 HDEE COc1cccc(C(=O)NCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1851683664 YXKMHWDJQOPKAS-UHFFFAOYSA-N 423.473 1.057 30 10 HDEE C=CCN1CCN(C(=O)Cn2ncn(-c3ccc(Br)cc3)c2=O)CC1 1853086358 VCCPSLSDISQUDH-UHFFFAOYSA-N 406.284 1.127 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)cc1 1853726639 FSRPQWOFVLLLNQ-WOJBJXKFSA-N 406.490 1.765 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(Br)cn3)C(=O)C2)C1 1855072120 BFVJFMJAKQBARK-AWEZNQCLSA-N 406.284 1.116 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(c4ccnnc4)CC3)CCC2=O)c1 1855225408 INYKFIGCQPCJCY-GOSISDBHSA-N 404.474 1.549 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855740119 OJYNIXNRNSVDBS-ZBFHGGJFSA-N 405.476 1.265 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)c2nccc(N3CCOCC3)n2)C1=O 1855834312 ILVYQJXDLMJCAE-MSOLQXFVSA-N 413.522 1.875 30 10 HDEE COc1ccc(OCC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)c(OC)n1 1855837569 LKLHPFRTINNVQI-HNNXBMFYSA-N 402.451 1.088 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccccn2)CC1 1855846781 XATHETSPBVJTNM-UHFFFAOYSA-N 410.455 1.735 30 10 HDEE C[C@H](CC(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1cccn1 1856410944 TYAXOTROSZSOGC-HZPDHXFCSA-N 408.462 1.239 30 10 HDEE CC(C)c1noc(C2CN(C[C@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)n1 1856664002 BDSFJZBFDQMGRF-CQSZACIVSA-N 408.462 1.938 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C(C)C)cc3)C2)CC1=O 1856905844 XYCVGUBONNAANO-SJORKVTESA-N 422.503 1.692 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccno4)C3)CC2)c1 1856953827 FAAMIGXOMRMJTM-KRWDZBQOSA-N 409.446 1.721 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C[C@@H]2CCCCO2)C1=O 1857038210 RXIQUQURESSMRV-CABCVRRESA-N 405.476 1.815 30 10 HDEE CC(=O)CCC(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857121956 BQRRMUICRBGYLM-GOSISDBHSA-N 416.522 1.205 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc(OC(C)C)n2)C1)[C@H]1CCN(C)C1=O 1857270434 LYBHWAAAGBBOFH-WMZOPIPTSA-N 414.506 1.576 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1857483630 VDIQVGQGNACUPA-XJKSGUPXSA-N 402.520 1.404 30 10 HDEE COCCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(C#N)c2)cc1 1858965326 PXKGGLCZWMMOLM-UHFFFAOYSA-N 417.443 1.550 30 10 HDEE CCN1CCN(C(=O)[C@H](CCSC)N=C2NS(=O)(=O)c3ccccc32)CC1 1869929750 METBNNBHSWNZDE-HNNXBMFYSA-N 410.565 1.011 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1=NNC(=O)CC1 1874650487 INLVSPWDAXJZMD-LJQANCHMSA-N 407.474 1.662 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261026 KDKQVNVNXUFBGB-LAPQFRIASA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025898576 GAVMKDREUUEIAA-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE C#CCCN1CC[C@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139349332 UTMCTVQIMHWQRT-MGPUTAFESA-N 421.494 1.028 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCCCN(C)CCCNC(=O)OC(C)(C)C 2174779589 KYBGLOOQOGQJLE-INIZCTEOSA-N 404.577 1.938 30 10 HDEE Cn1ncc(C(=O)N2CCCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243370466 OTDMCSMMKWTNQT-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243384921 ZEISWPYZEBAXPP-OKILXGFUSA-N 410.320 1.957 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243686119 HWYLBOZDLMLEMV-OAHLLOKOSA-N 409.336 1.582 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 2247772944 BYEJGEWMDYGVIE-ZDUSSCGKSA-N 424.303 1.503 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247835574 MTFANAPGHUSMIU-UHFFFAOYSA-N 410.283 1.164 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836985 LGBVYVUXQSAMQI-TZMCWYRMSA-N 418.303 1.419 30 10 HDEE Cn1cc(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255625733 WJLSUTLUFXDMPM-UZUQRXQVSA-N 422.338 1.724 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC3(C2)OCCO3)sc1B1OC(C)(C)C(C)(C)O1 2255932735 FIFVMBDUSSYFHX-UHFFFAOYSA-N 415.342 1.493 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCC[C@@H]3O)cc2Cl)OC1(C)C 2267354755 RGCRHZUYUXQMDI-QWRGUYRKSA-N 407.750 1.892 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267367897 AJQBTUMEALGPED-XMMPIXPASA-N 409.360 1.480 30 10 HDEE N#C[C@@]1(C2CC2)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270535195 KFIMPRVTJGOQCU-APWZRJJASA-N 421.475 1.321 30 10 HDEE CNC(=O)NCCCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281942073 HQLAGXCGMKPBEF-UHFFFAOYSA-N 401.725 1.750 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)C[C@@H]3CO)sc2Cl)OC1(C)C 2281970418 QUINOYXEVGJRRJ-MNOVXSKESA-N 401.721 1.659 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(C1)CC1(C2)OCCO1 2282036848 OHSVFUWQDLKXFS-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@@H](C#N)C3)cc2Cl)OC1(C)C 2282310748 YFERNNZRVGGKGJ-JTQLQIEISA-N 418.733 1.614 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCNC[C@H]1C 2282316566 FCECZRMVQZPTBV-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](N)C1 2282320297 GJTCNJIKHYJPBJ-WCQYABFASA-N 400.375 1.714 30 10 HDEE CC(C)[C@H]1CNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337063 IYSWZWYGACCJJU-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE COc1cc(C(=O)N2CCC[C@H]2C2OCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2282560020 CHSIBOMUHQLBDB-INIZCTEOSA-N 403.284 1.972 30 10 HDEE CCS(=O)(=O)N(C)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282589314 LXAYTZIVBRMARN-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE C[C@H](CC(=O)N(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849222 XYAIUKQWAXEMLT-LLVKDONJSA-N 402.347 1.192 30 10 HDEE CC(C)SC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282855781 JHTCYVJOVSDEOR-UHFFFAOYSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CO)C3CCCC3)c2)OC1(C)C 2282856375 RDPKPHIBUQWUHI-CQSZACIVSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(N)CCCCC3)s2)OC1(C)C 2282867559 AQUBEOLDLUOBDH-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE C[C@H]1COC[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282869452 CUPFDOBZLDGCKR-SMDDNHRTSA-N 401.721 1.952 30 10 HDEE O=C1C(=O)N(CCO)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296183400 WVCZFYCIMGZLDA-INIZCTEOSA-N 413.342 1.917 30 10 HDEE C=CCOc1ccc(C=C2C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1OC 2297345964 RWQKOKLHTKQHSG-UHFFFAOYSA-N 420.472 1.881 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1 2323178188 VDQPBDMRVIVXEQ-UHFFFAOYSA-N 415.490 1.207 30 10 HDEE CCOc1cc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1OC 2325716434 VWIJPZROKVEHKO-UHFFFAOYSA-N 418.471 1.640 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2342036977 JAFYHCBFYMQKFN-GJZGRUSLSA-N 403.566 1.918 30 10 HDEE CCO[C@@H]1CN(S(=O)(=O)C[C@H](C#N)C(C)C)C[C@H]1CNC(=O)OC(C)(C)C 2355478730 ZYUGOQRGMPGPSE-ARFHVFGLSA-N 403.545 1.974 30 10 HDEE Cc1cc(S(=O)(=O)NCCSCCO)ccc1B1OC(C)(C)C(C)(C)O1 2360814802 SBLYIDFXRUMWHG-UHFFFAOYSA-N 401.359 1.298 30 10 HDEE COC1(C#C[C@@H](N)[C@@H](O)c2ncc(I)s2)CCOCC1 2363667370 XYUBFCFCTMFOJD-MWLCHTKSSA-N 408.261 1.307 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C[C@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365178595 KOIFTIJSBPDJKH-MRXNPFEDSA-N 402.557 1.411 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2365198676 HZWBJVSDLLVFRC-ARFHVFGLSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)NC1(C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367803089 HWNWRBAMETYMTE-HNNXBMFYSA-N 401.525 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367819603 YISCJXBTXAMBHM-ARFHVFGLSA-N 400.541 1.435 30 10 HDEE CC(C)C[C@@H](C(=O)N[C@@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO 3820526 FWFGIHPGRQZWIW-KURKYZTESA-N 406.479 1.858 30 10 HDEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c(OC)c1 59016706 DTEFROMIJNTJRL-OMCISZLKSA-N 420.480 1.850 30 10 HDEE Cc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443896 YTYBVKZRBFFPJF-LSDHHAIUSA-N 406.446 1.004 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 109934337 XUIUZMFBXAXHHP-OAHLLOKOSA-N 413.415 1.168 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)CC1 430349295 ASJQZZKSODIUQP-UHFFFAOYSA-N 404.492 1.610 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 448378971 XPRHQFDQRLYODP-UHFFFAOYSA-N 408.524 1.034 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)cc1 460269427 RHYMILIWMKVWRA-INIZCTEOSA-N 407.426 1.878 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCC(=O)N2CCc3ccccc3C2)cn1 462095192 ZWVWTXKCVBEJIS-UHFFFAOYSA-N 401.430 1.845 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(c3ccc(C)c(C#N)n3)CC2)c1 468699662 XFOUHGQQVVUGJF-UHFFFAOYSA-N 406.489 1.621 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 474411614 HEXULXZNUIDILL-UHFFFAOYSA-N 413.503 1.095 30 10 HDEE Cc1c(C#N)c(NC(=O)CCN2CCn3c(O)nnc3C2)n(Cc2ccco2)c1C 475127533 IQEBKRWZWOIPBC-UHFFFAOYSA-N 409.450 1.759 30 10 HDEE CCN(CCC#N)C(=O)CN1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 483468791 CUPGWXZHCBRKNO-LJQANCHMSA-N 406.914 1.934 30 10 HDEE CNC(=O)CCOC1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 494977448 SBEZDMFOEGIXSW-KRWDZBQOSA-N 416.522 1.947 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)nn(-c2ccccc2)c1N 503309375 INJMJNKLWQDXGP-NHJGBSBYSA-N 413.481 1.702 30 10 HDEE C=CCn1c(COc2ccccc2F)nnc1S(=O)(=O)CC(=O)NC(C)(C)C 506941926 AKDSDMCWXDSCPX-UHFFFAOYSA-N 410.471 1.871 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ccncc2OC)CC1 508918864 FTORCRBISPFJQJ-MRXNPFEDSA-N 402.499 1.918 30 10 HDEE COC(=O)CCC(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 511067431 CNERNPAMYNNWMK-HNNXBMFYSA-N 400.435 1.611 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCN(CCOC)C(=O)C1 517638657 UGZZTBVHELMSEI-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](CO)c2cccc(Br)c2)CC1 541985399 WGMROZQQLPMIKJ-QZTJIDSGSA-N 423.355 1.764 30 10 HDEE C=CCN(CC(=O)O)S(=O)(=O)c1cc(Br)ccc1OCCOC 548565421 XYGWGVPOGUUGEF-UHFFFAOYSA-N 408.270 1.736 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CC1 555149287 IFRJBUXICDJMGJ-UHFFFAOYSA-N 422.514 1.947 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 566800869 JALRZAMWQAIOEI-HTAPYJJXSA-N 422.489 1.955 30 10 HDEE C[C@]1(c2cc(F)ccc2F)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 569381451 HNVMFMQSXMACAA-GOSISDBHSA-N 420.397 1.472 30 10 HDEE COCCN(C(=O)CSc1cccc(Cl)c1C#N)[C@H]1CCS(=O)(=O)C1 579383930 RETFNKDRDJQAFV-LBPRGKRZSA-N 402.925 1.966 30 10 HDEE CSCC[C@H](C=O)N(C(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](CC(C)C)C(N)=O 585672261 OBZLDJRCKKROTK-IKGGRYGDSA-N 401.573 1.586 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccncc1 589163960 GSHJRPYEDPAPHV-NQIIRXRSSA-N 401.511 1.142 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 603557465 NDDYUYUVPOMXIJ-HNNXBMFYSA-N 418.475 1.464 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C#Cc3ccccn3)c2)CC1 605417402 VYBKOOJZJGLXFB-UHFFFAOYSA-N 403.486 1.933 30 10 HDEE COC(=O)[C@@H]1CCCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 611579715 FKAQNGDUAIDGFY-IRXDYDNUSA-N 412.446 1.707 30 10 HDEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ncccc3C#N)cc2C)C1=O 619843162 IFYCIQXDXNXHIA-KRWDZBQOSA-N 407.430 1.730 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 726179634 ROCRUKJZDIQTRB-UHFFFAOYSA-N 419.510 1.944 30 10 HDEE C#CCN(C(=O)c1cccc(NC(=O)CCn2ccnc2)c1)[C@H]1CCS(=O)(=O)C1 729335260 KKBMXCUMGLJGEP-SFHVURJKSA-N 414.487 1.174 30 10 HDEE N#C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1C1CC1 732664042 BDBQVCYNAXCUSX-CQSZACIVSA-N 416.425 1.182 30 10 HDEE C[C@@H]1CN(Cc2csc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)C[C@@H](C)O1 732674777 LTHUOQGBBXZMOB-CKEIUWERSA-N 404.540 1.956 30 10 HDEE COCCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732706792 RIUNSKZECFMVMH-OAHLLOKOSA-N 406.870 1.502 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 733886076 GIAMNHGEHOMPKD-ZCXUNETKSA-N 408.911 1.962 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 740211019 LIHHEBRFXVUZJW-KRWDZBQOSA-N 402.428 1.846 30 10 HDEE CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 740505357 AYLZNVZVWVRGCZ-KTNMXJNISA-N 408.524 1.846 30 10 HDEE Cn1cc([C@H](O)C[C@H]2CCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 764741900 YQUWOSDJLXZIGS-QZTJIDSGSA-N 406.450 1.992 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N(CCc2nnnn2C)C1=O 771545338 UORAUKCVTJFOLP-LBPRGKRZSA-N 407.887 1.174 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774169474 BQVPQQGMVYFWSL-AWEZNQCLSA-N 404.410 1.960 30 10 HDEE C=CCOc1cccnc1C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 775114864 UFUNJCHHIXSOML-UHFFFAOYSA-N 415.471 1.849 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1ncc(Br)s1 785027230 PLENBMRNEPDVME-UHFFFAOYSA-N 416.278 1.688 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@H](O)C(F)(F)F)cc1 789052815 WRGGYXLKBDKBQS-PFMQXPBUSA-N 408.402 1.544 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360893 OXYBAORNLGXEFL-INIZCTEOSA-N 416.506 1.847 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)CC2 793203076 HKVYIZXUCQIZCL-JTQLQIEISA-N 402.398 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2CCC(NC(=O)Cn3cnc(C#N)n3)CC2)CC1 794992634 YUIYDPMHNZNNQZ-UHFFFAOYSA-N 417.514 1.130 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 795818000 BNUVKMKWAPURIX-IPELMVKDSA-N 411.458 1.974 30 10 HDEE C#CCN(CCNC(=O)NC(C)(C)COCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 799308076 VDLIXZVTNLVGQR-LJQANCHMSA-N 421.563 1.403 30 10 HDEE CS(=O)(=O)N1CC[C@@H](COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 801248430 VRLKMGIHZIGIGD-CQSZACIVSA-N 414.505 1.202 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(Cl)cn1 816831181 JGZORGHQUKMFGL-UHFFFAOYSA-N 405.867 1.368 30 10 HDEE C#CCN1C(=O)C[C@H](N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)C1=O 821771759 MOUBJLQFLRPAJY-ZCNNSNEGSA-N 409.486 1.774 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 916774758 AFTXDJRPJBWVBN-KCXAZCMYSA-N 403.460 1.068 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 917035642 RXASXVMGGCSKLG-LJQANCHMSA-N 418.453 1.552 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)c1cc[nH]n1 1135613567 VREHEDVTVVKRFJ-SFHVURJKSA-N 413.478 1.647 30 10 HDEE C[C@@H](CC(=O)NCCOc1cncc(Cl)c1)/N=C1/NS(=O)(=O)c2ccccc21 1140552070 BZZYNRFHQOYPPK-LBPRGKRZSA-N 422.894 1.747 30 10 HDEE N#CCCn1cc(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1164123239 BUPDLKZLBAYMEP-DLBZAZTESA-N 410.434 1.263 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)c1 1176778453 VCDYUHKOACRUTO-MJGOQNOKSA-N 423.498 1.925 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1178198725 RHZLULJWIYNIQH-KRWDZBQOSA-N 423.491 1.678 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCN(C)C)c2cccnc2)cc1 1178399651 CAHNVIIAXIPGFJ-IBGZPJMESA-N 402.520 1.969 30 10 HDEE C=CCOc1c(Cl)cc(CN2CCOC[C@@H]2CNS(C)(=O)=O)cc1OC 1207049062 HJPOCKNACAISMN-AWEZNQCLSA-N 404.916 1.663 30 10 HDEE N#Cc1ccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nc1 1208019895 AORDVLFBIQYLMT-INIZCTEOSA-N 415.475 1.732 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)cn1 1212445910 WQYAMCWBIFWENC-UHFFFAOYSA-N 413.253 1.974 30 10 HDEE COc1cc(NC(C)=O)c(Cl)cc1S(=O)(=O)NCC1(C#N)CCOCC1 1214019214 GQBHWOUHYGJSRG-UHFFFAOYSA-N 401.872 1.906 30 10 HDEE CC(C)(C)OC(=O)NCC1([C@@H]2CCCCN2C(=O)NCC(=O)NCC#N)CCC1 1227977864 ZCYQIMMZWCCNHT-HNNXBMFYSA-N 407.515 1.885 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(NC(N)=O)cc1 1286279544 WBBDABZWLNQXJJ-GJZGRUSLSA-N 400.483 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCS(C)(=O)=O 1286727659 WROATANNEPANTB-CQSZACIVSA-N 404.558 1.017 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(F)cc2)C1 1286785430 FJTYECVKFBEMNL-NVXWUHKLSA-N 412.469 1.664 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(OC)CCOC2)C1 1286811470 CDPKYUVQJSURDM-WIYYLYMNSA-N 416.526 1.727 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC(=O)N(C)C[C@H]2C(=O)OC)s1 1289517635 UEGLMZAMJKQQDV-NSHDSACASA-N 417.940 1.681 30 10 HDEE CC[C@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291358187 GMOPKAHXGGVMMQ-FQEVSTJZSA-N 413.482 1.112 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@](C)(O)c1ccco1 1293099701 AOKLJBRENQWMLG-OAQYLSRUSA-N 407.478 1.934 30 10 HDEE Cc1cc(C2(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCOCC2)on1 1297334046 IFMZVSFICSVYOM-SFHVURJKSA-N 408.458 1.820 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 1300077911 BGPORBAWNQRYDP-WFASDCNBSA-N 422.532 1.655 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCn2ccnc2C1 1300673546 OIJJQAFURUTCIC-IBGZPJMESA-N 405.506 1.809 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1300704019 YWJYAUVMPRFQDR-PKOBYXMFSA-N 414.579 1.940 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1301086482 WTXHVEXRXSQXDB-LJQANCHMSA-N 402.543 1.493 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1301500799 POCTVVTWEYQELM-SJORKVTESA-N 418.542 1.565 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1301517670 AOWJCZYWJNLWCQ-OAQYLSRUSA-N 420.558 1.010 30 10 HDEE CC(=O)N1CCN(CCn2c(CCc3ccccc3)nnc2N(C)C[C@H](C)C#N)CC1 1301769602 CNUAQTMXKMZAFX-LJQANCHMSA-N 423.565 1.823 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302979035 MYNXZVZYXPTALD-YJCBXQLOSA-N 421.436 1.913 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1303770861 DXDJIQOVYWPGSW-WMLDXEAASA-N 419.507 1.101 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(CCc3cccs3)C2=O)c1 1307275092 BHLBWGIMQFEOSB-UHFFFAOYSA-N 424.438 1.411 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1309541382 BCPFGRCJQGPQSB-LJQANCHMSA-N 407.536 1.520 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1314986604 BUGIJLCCWFXCCX-IAGOWNOFSA-N 407.478 1.058 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1315056777 SHKCVZOSKRTBEM-UHFFFAOYSA-N 420.521 1.540 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)OC 1315800286 SEJCWPBBWFFMGA-OKZBNKHCSA-N 410.478 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1351297443 ZWKVGYBHYSXNOG-NRFANRHFSA-N 415.494 1.628 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1358881597 JHKKNFYSBLKCBQ-MRXNPFEDSA-N 414.535 1.946 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1358905223 VQHNFTLRDBOKBF-ZOBUZTSGSA-N 409.556 1.696 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1358913712 WGXRKTPTXOVDTL-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1358961330 WNEHAWYQELRVQQ-CVEARBPZSA-N 417.560 1.862 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359054586 AIWRTPKZMWSEGS-JXFKEZNVSA-N 414.535 1.876 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1359071831 FCMXDIAOOFBRJN-PKTZIBPZSA-N 409.534 1.936 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1359131626 ZSDIRJGSNCDBAW-UHFFFAOYSA-N 414.510 1.536 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359131739 DBAXRZCXQUKXIV-NVXWUHKLSA-N 416.526 1.317 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359133301 OQBQVIVNWBIGKB-WMZOPIPTSA-N 402.499 1.686 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)N(CC)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359305968 RUPASWIYAJSRGA-CSODHUTKSA-N 420.558 1.151 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1359716400 GNKRDCMDVSJXID-QFIPXVFZSA-N 409.538 1.666 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1360475982 GFEPDNACXWGVMP-ZPFYTHJMSA-N 421.567 1.860 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1436054132 PXTNLTCWTNXUAO-PBHICJAKSA-N 400.866 1.810 30 10 HDEE C[C@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440354685 VCVNPHQHLMQTFK-GFCCVEGCSA-N 400.298 1.832 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c1 1444267271 VJRHRFKHDVFNNH-HZUJVAHNSA-N 415.515 1.704 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3cn[nH]c3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1451805404 LCUFXGHPBYAAGE-UHFFFAOYSA-N 410.327 1.975 30 10 HDEE C#CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1459776248 NTTAYROKNOFJDI-INIZCTEOSA-N 405.520 1.380 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 1471522132 SIMJSSNPTSZIEH-HSZRJFAPSA-N 419.481 1.984 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccn(CC(F)F)n2)c(=O)c1C#N 1472554312 GBHRXRAMJNZGBX-UHFFFAOYSA-N 400.183 1.945 30 10 HDEE C=C(C)[C@H](NC(=O)N1CCOC[C@@H]1CNS(C)(=O)=O)c1ccc(F)c(F)c1 1478472031 KOLMBOOPWYEINU-BBRMVZONSA-N 403.451 1.542 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1479059855 HGKHKFIBSDDNMB-QZTJIDSGSA-N 405.520 1.591 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502687680 BQCDAMPDPRTSHO-WOJBJXKFSA-N 404.515 1.539 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1503792385 FEKSUDJKYAIFFS-QGZVFWFLSA-N 423.521 1.694 30 10 HDEE CO[C@H](CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1503956392 CPHZLGDHSIHFMM-HUUCEWRRSA-N 410.400 1.960 30 10 HDEE COc1ccccc1Cc1nnc(N(C)OC)n1CCN/C(O)=C1\N=CC=CC1=O 1504399987 ALDWFIFRUUIPML-VHEBQXMUSA-N 412.450 1.402 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1505046440 GTFSUDHMEUSMKF-IBGZPJMESA-N 422.493 1.913 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)C1 1505314357 CEAQNZINKSXVDD-IBGZPJMESA-N 418.860 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1507539043 QNBLIUVBONLSEL-JYJNAYRXSA-N 416.503 1.478 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)OC)c1 1507551244 VVCLNMCCVUCQTN-RHSMWYFYSA-N 410.478 1.320 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507605172 NKYSTUKHXRJWBC-FQEVSTJZSA-N 422.533 1.485 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCS(=O)(=O)NC 1507707393 WCNMCEOPLZIKLI-UHFFFAOYSA-N 417.491 1.327 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1507751170 LHGGXVFIOCWJKE-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)CC1 1507902412 DVUFPHGUXFFYEW-HNNXBMFYSA-N 409.556 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)CC 1508079643 BGSBLQVGUMQPOG-UHFFFAOYSA-N 405.528 1.387 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1508119646 WECZDAMKMBOBHJ-QGZVFWFLSA-N 417.535 1.893 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2nncn2C)C1 1508126243 HDHISKVEOQIXCH-HNNXBMFYSA-N 413.457 1.954 30 10 HDEE C=CCNC(=O)[C@@H](C)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1508241653 SOSCNOKEHZWIIQ-XPFKWROGSA-N 401.482 1.646 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1517518571 OAVYKGZUEUVLMA-INIZCTEOSA-N 422.493 1.615 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 1528559273 NTBYXVPMRHXZBY-IBGZPJMESA-N 408.506 1.625 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3ncc4c(c3C#N)COCC4)CC2=O)cc1 1529422395 BPZYJEGEXUXACA-HNNXBMFYSA-N 419.441 1.976 30 10 HDEE COc1cnc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)n3C)cc2)nc1 1535912201 MBOBXZAQOCIKNU-UHFFFAOYSA-N 412.431 1.748 30 10 HDEE Cc1nc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ccc1C#N 1537806023 GVUZCLFPJAOEBV-HNNXBMFYSA-N 422.507 1.416 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCN(CC)C1 1538991775 DKTIBJWJETVPOG-IAGOWNOFSA-N 405.510 1.721 30 10 HDEE C#CCN(c1nnc(CC)n1CCCn1nc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 1539221199 YRXAQLGGYIQZGZ-QGZVFWFLSA-N 404.540 1.371 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1539506645 VKVUWZXGQWEJNV-UHFFFAOYSA-N 422.580 1.168 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccn2)CC1 1539917370 CFXFQEZWUTXFGG-INIZCTEOSA-N 410.526 1.948 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1540472184 GGJJXCMOEJCFEE-QGZVFWFLSA-N 418.469 1.516 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540865156 WXWMZRALGFONNN-CALCHBBNSA-N 401.467 1.106 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1540877318 QSNPOWIXRRISAW-OAHLLOKOSA-N 420.514 1.489 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(N(C)C)nc2)C1 1540881497 KSWJDBHKODEJEO-QGZVFWFLSA-N 413.526 1.707 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)C1 1540892997 VESIDCFIYDYGAP-NVXWUHKLSA-N 420.539 1.052 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540915411 LCIOZAMMDYGFAS-HNNXBMFYSA-N 420.583 1.843 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C3CC3)[C@H]3CCS(=O)(=O)C3)n[nH]2)c1C 1543050797 DVYBAQSOIUABHM-HNNXBMFYSA-N 403.508 1.868 30 10 HDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 1543580556 HMPSPTAMLAORHX-HNNXBMFYSA-N 419.459 1.120 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1COc2ccccc2O1 1555557419 STHONMUATYTFIR-INIZCTEOSA-N 421.461 1.942 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 1558152322 HXTGQLNWKXMWIF-ZDUSSCGKSA-N 404.471 1.294 30 10 HDEE C[C@H](O)c1cn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558633781 JTWSPSNVRIOGHR-BIIVOSGPSA-N 422.276 1.961 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 1558670310 YICFZRMAKZELKI-HUUCEWRRSA-N 417.491 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)NC3CCN(CC#N)CC3)nn2)C1 1558929690 OYXBTMFQAOJMKT-MRXNPFEDSA-N 417.514 1.568 30 10 HDEE CC(=O)c1cccc(C#N)c1OCC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1559457555 VLCXTXGSGCTYPP-UHFFFAOYSA-N 421.453 1.928 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1560091372 ICQKSFOUCDKTSR-MRXNPFEDSA-N 407.902 1.525 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN([C@@H](C)c2ccccc2F)C1=O 1564417040 KPQPDNYSBGBPRU-WMLDXEAASA-N 411.499 1.778 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@H]2c2ccccc2)CC1 1564827838 REQLYJJQZBTKQT-OALUTQOASA-N 404.536 1.365 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1588034190 BNIWWZQYHWIXIN-WBVHZDCISA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588059633 RGKYUBVQRDENJK-SFHVURJKSA-N 421.611 1.978 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588065037 RTJZHOVZMVXKEJ-AEFFLSMTSA-N 407.584 1.588 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1588065370 XQKUEMQGLTTWKO-SFHVURJKSA-N 411.487 1.532 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1588280550 MPXKZBUHPRAGDZ-INIZCTEOSA-N 418.567 1.605 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2CCN(C(C)=O)CC2)CC1 1588806019 DWESGWQNIXFKBC-UHFFFAOYSA-N 421.549 1.662 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)s1 1595269862 FJKCMXHHAMGYQF-CMPLNLGQSA-N 412.455 1.981 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NC[C@]23COCCN2C(=O)COC3)cc1OC 1595390418 ZUFYOFHDRQRKSG-JEUZPXFCSA-N 402.447 1.017 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595799061 WOKJKGSXQHYKFK-ZACQAIPSSA-N 409.556 1.056 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595812683 YTKABSITQWTTCT-FQEVSTJZSA-N 423.583 1.574 30 10 HDEE Cn1nccc1[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1597282010 XXAYXHVZTBIVCK-INIZCTEOSA-N 401.492 1.603 30 10 HDEE C[C@@H]1C[C@@H]1n1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1612704349 AFXFRXYKFGHEAS-QAPCUYQASA-N 410.478 1.605 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1612877153 DLGPIJMDECSGNE-INIZCTEOSA-N 411.510 1.062 30 10 HDEE CCOCCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1617230779 PPNBLCDEZKWPOM-QGZVFWFLSA-N 414.510 1.844 30 10 HDEE C#CCCNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1617272407 CPGIBGPEOSFYCR-FQEVSTJZSA-N 405.454 1.909 30 10 HDEE CN(C)[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCSC1 1617651350 DGJDZFAIYKKGEV-JXFKEZNVSA-N 417.583 1.797 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H]2CSCCS2)CCO1 1620355165 HCACWUFHMHQJCR-JKSUJKDBSA-N 402.549 1.841 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1622328434 YLPQTGPDQVFJTJ-AUUYWEPGSA-N 406.487 1.899 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)C3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1622806194 AEUISOCZYDQSQU-UHFFFAOYSA-N 420.539 1.572 30 10 HDEE CN(C)C(=O)C1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1624452932 AMKVTPAINAFOPL-UHFFFAOYSA-N 406.508 1.023 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CN2Cc3ccccc3OC2=O)C1 1624819401 LMPDSGQDEUZDHC-LSDHHAIUSA-N 400.435 1.876 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 1624843215 XARDWMTUUWHABH-INIZCTEOSA-N 417.462 1.942 30 10 HDEE COc1ccc(C#N)cc1NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1625946352 AZYWFNXQOIBUIQ-OAHLLOKOSA-N 409.851 1.498 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1628679834 AMNXAONGFDXMNZ-UHFFFAOYSA-N 405.476 1.214 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1628796569 GOTNGONRBPUVRC-SJORKVTESA-N 417.510 1.778 30 10 HDEE N#CC[C@@H](C(=O)N1CCC(C(=O)NCCCN2CCOCC2)CC1)c1ccccc1 1629758210 XLYCNOAMGVHJJT-OAQYLSRUSA-N 412.534 1.761 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1 1636031191 RGFZIDDVJSPERX-ROUUACIJSA-N 409.529 1.665 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@H](CNC(=O)NC)C1)c1ccc(Br)cc1 1636562295 JREBIOWAJHERAZ-CABCVRRESA-N 409.284 1.463 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1636821904 JDMHDFCTEAXXKK-QRWLVFNGSA-N 414.499 1.653 30 10 HDEE O=C1[C@@H](NC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CCCN1O 1637667959 QPBUFUSZALRTPE-HNNXBMFYSA-N 413.471 1.303 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2c(C#N)c[nH]c2c1 1637855610 HRNDJXLSVCBARD-MRXNPFEDSA-N 403.460 1.620 30 10 HDEE COc1cc(C#N)ccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1637881773 RJZMRPKPOWMGHQ-UHFFFAOYSA-N 417.443 1.546 30 10 HDEE C=CCN(C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)[C@H](C)COC 1638852997 AICFYWSJJUHRRH-CABCVRRESA-N 410.515 1.439 30 10 HDEE C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821582 IJFPOAYIJCSZHI-NLSWJDMASA-N 423.535 1.442 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 1641858601 UCHCGKKKNPBHEX-AWEZNQCLSA-N 405.303 1.816 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)OC 1642698443 VHRMBNLFHVDOSY-QGZVFWFLSA-N 406.460 1.996 30 10 HDEE N#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(F)(F)F 1645010526 XVRQMBZOSUSMFU-AWEZNQCLSA-N 405.398 1.406 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Oc2ccc(NC(=O)COC)cc2)s1 1649367408 BOVITHPQUGDEDX-UHFFFAOYSA-N 424.500 1.945 30 10 HDEE C=CC1(CC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CN(C(=O)OC(C)(C)C)C1 1650745348 IDZDTRQWDKXRCW-OAHLLOKOSA-N 407.511 1.289 30 10 HDEE CCOc1cccc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1652461096 AGOKKWAVNHVYRY-UHFFFAOYSA-N 404.470 1.902 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)COc2ccc(S(=O)(=O)N(C)C)cc2)c1 1656266304 ZUJZRYNDOGIGRC-UHFFFAOYSA-N 401.444 1.645 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)n(Cc2ccccc2)c1C 1656541345 VXMVUAPXDUTAHG-VQTJNVASSA-N 410.518 1.886 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1659309090 KNHDQMCDHTVQSO-HZPDHXFCSA-N 418.538 1.592 30 10 HDEE N#Cc1ccsc1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1663159310 HZENIJUVINDBEH-UHFFFAOYSA-N 406.489 1.962 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(N3CCCC3)c2)CC1 1664550106 YMAZSZATPBSHNZ-UHFFFAOYSA-N 405.524 1.212 30 10 HDEE C#CCSCCNS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1667412284 FQLYBVRLZSLBTB-UHFFFAOYSA-N 408.467 1.942 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1668023292 CGOSTPARCCELMD-CQSZACIVSA-N 413.478 2.000 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1670588919 RWBYHKLVEJVEMB-LJQANCHMSA-N 408.520 1.947 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2)nc1 1680029258 HSPZMEZYWOOZHQ-IBGZPJMESA-N 423.473 1.694 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](c3cccc(F)c3)c3ccccn3)C2)c(=O)nc1O 1681182605 MWCAOVXVCCIUSX-SFHVURJKSA-N 420.404 1.711 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1681228096 WAZFKWPZKRXDDY-XYPHTWIQSA-N 413.478 1.872 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1683734576 WKIXFNOMYAVLLA-MRXNPFEDSA-N 408.524 1.484 30 10 HDEE CCOc1cc2c(cc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O)O[C@H](C)C2 1683863907 DYUNZBYTLVWWCH-GFCCVEGCSA-N 413.434 1.042 30 10 HDEE C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1684118285 UJQBGYFAYWPTCG-JZGRTCEGSA-N 402.520 1.866 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1689824529 RJDAZULDAMYAPE-GOSISDBHSA-N 422.533 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1689828599 QBXAYRTUTMZIGH-CVEARBPZSA-N 415.469 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1690094070 RJUPVIKSYZIZBL-QGZVFWFLSA-N 412.542 1.988 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690484915 HCPBKMZDPKFZMV-QLFBSQMISA-N 418.585 1.404 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCOC2)n1Cc1nnn(C)n1 1690556002 KKYLCCVESKFTSQ-MRXNPFEDSA-N 410.482 1.555 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CC(=O)N(C)C 1690559758 JGQKKDCLEUVYSP-UHFFFAOYSA-N 402.462 1.888 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1690632961 ZLHXOTWYZCXVFH-ZDUSSCGKSA-N 406.512 1.082 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1695871554 HGRXKFDDIOZJQH-QRVBRYPASA-N 417.558 1.274 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C[C@@H]1F 1698449488 HMLIIUNLXWBWLU-LIVBEALHSA-N 401.442 1.674 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1705564398 BATISEWKFICWMT-MRXNPFEDSA-N 418.494 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(C)C(C)C)CC1 1705649369 UZPOZCFNHRXXDR-UHFFFAOYSA-N 411.554 1.590 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705658185 HMLWGCDBWOGVFV-QGZVFWFLSA-N 413.551 1.403 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705701619 HHWPVYSAZVXIGP-UYAOXDASSA-N 417.554 1.897 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CCOC)CC1 1705761706 XSDQSWHCSVTTGU-FQEVSTJZSA-N 400.483 1.869 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1705800485 YOVNHWFINCQXKB-GOEBONIOSA-N 412.560 1.350 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705907574 QOWISWNCFNYYJQ-ZWKOTPCHSA-N 414.558 1.361 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2COCCO2)C1 1705927459 YVEQXZWIQDBMTM-DLBZAZTESA-N 405.524 1.831 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1707904683 HJGSUAOAMIOVNS-UHFFFAOYSA-N 423.521 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1722274895 AVLAWLCWGDHTDS-IIBYNOLFSA-N 415.494 1.800 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)Cc1ccccc1 1722302074 PEXGFWNSJYEAPJ-KRWDZBQOSA-N 408.506 1.517 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@@H]1COCCO1 1722382745 CMTILHSZXYVGMI-XLIONFOSSA-N 408.458 1.669 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722523562 YXEIRGBOHPRBHX-SJORKVTESA-N 409.556 1.753 30 10 HDEE C=C(Cl)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722542440 AZVQHQTXYRMXGO-CQSZACIVSA-N 408.934 1.815 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722702301 HJZGEBOHODDBLP-JZXOWHBKSA-N 421.542 1.556 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCOCC2)C1 1722720297 AROBVOLKEDOPAL-HXUWFJFHSA-N 412.538 1.768 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1729451998 OASKFAIBUOYFPX-UHFFFAOYSA-N 406.487 1.550 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@H](O)C1 1730758529 BKHXCDSBXYTKIE-SJORKVTESA-N 404.515 1.432 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1740590325 CKNSUANZLOLOOG-QGZVFWFLSA-N 403.433 1.512 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@H]2CO)CC1 1740695063 CDDKCSBSYWHEDV-IBGZPJMESA-N 411.554 1.265 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](OC)C2CC2)CC1 1740703794 FDAJCNFJPVFQDW-LJQANCHMSA-N 408.506 1.731 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1740905436 WZZORRHDHXIQBU-RTBURBONSA-N 418.586 1.983 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740952604 JDFBHVGIBQUQDK-JKSUJKDBSA-N 409.531 1.556 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nnc(CC)s2)C1 1740977279 SYCPLHANVFNUJT-CQSZACIVSA-N 400.512 1.922 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740999469 IQAKFRWXYOKWRP-GDBMZVCRSA-N 403.508 1.620 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740999606 KPHJESTVPQWKDI-HNNXBMFYSA-N 424.596 1.721 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1741126751 VNXPIIHNHASLKM-CYBMUJFWSA-N 421.483 1.341 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 1744729343 YDSGPTZIVKDUIJ-UWVAXJGDSA-N 415.519 1.134 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1747014562 AFXMKYNCJCEWPO-OAHLLOKOSA-N 417.514 1.808 30 10 HDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748718708 MYUTYURFYWLFEQ-UHFFFAOYSA-N 407.522 1.855 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1748751448 HUTUOTBVLWSBTD-CQSZACIVSA-N 419.473 1.278 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1cccc(F)c1 1748766612 SYDBVJPEBKMTLH-GDBMZVCRSA-N 423.514 1.954 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1748802666 IAORINQQSWXQIU-INIZCTEOSA-N 404.515 1.946 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCc1cccc(C(=O)N(C)C)c1 1748846411 GKTDJPQPEYCKKM-FQEVSTJZSA-N 405.502 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)OC 1748846967 NSMKCLFWAONWFE-UHFFFAOYSA-N 407.522 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(CC)CC1 1748882764 FIRLCIIUBHIANC-LJQANCHMSA-N 408.554 1.168 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCC(=O)NC 1748946290 DOQXWOFDZWJTSG-UHFFFAOYSA-N 412.469 1.316 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1748984434 MXGBORPLOLKCKM-UHFFFAOYSA-N 400.433 1.854 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(CN3CCCC3=O)cc2)CC1 1748993472 YXOKSDLKPQEIFO-UHFFFAOYSA-N 406.534 1.766 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N(C)C 1749149230 WUZZXENFDPLEEY-UHFFFAOYSA-N 409.498 1.802 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1749461494 BPWBPKWMMGCTQF-KRWDZBQOSA-N 417.558 1.079 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749752003 GZMXHLICGNWAKZ-INIZCTEOSA-N 401.540 1.799 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1750061162 MYOXINVQDLKJHI-LLVKDONJSA-N 418.303 1.819 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1750112221 NVMHEYCPIXTSAS-GOSISDBHSA-N 412.450 1.121 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760185446 XDUBOXBKBNJHPK-SJLPKXTDSA-N 417.535 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C 1760193131 URAIKWBLJUCPLS-UHFFFAOYSA-N 404.518 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(O)CCN(C(C)C)CC1 1760245904 GVWUTYGWIRBVKU-UHFFFAOYSA-N 414.554 1.605 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(N)=O)c2)CC1 1760257902 LSCLZNBOCFAQPS-UHFFFAOYSA-N 403.490 1.186 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCCOC)CC1 1760263095 NPQISUPTFWAYMG-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCCNC(=O)OC(C)(C)C)CC1 1760265726 HWNZVNVWZPYREK-UHFFFAOYSA-N 418.542 1.857 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760360523 FGQZQMXKUVFZCY-VQIMIIECSA-N 410.540 1.737 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760441589 NPAULMJESPYWHG-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1760493472 FSKGGWOQZQKVTJ-AEFFLSMTSA-N 410.526 1.810 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C1CC1 1760517267 IAPVYCPDJVFXBD-UHFFFAOYSA-N 418.523 1.096 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(CS(C)(=O)=O)CC2)C1 1760547433 KUVREEFFJMCUAP-HZPDHXFCSA-N 410.540 1.736 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1760549011 UVNVPSGFBRDWJK-SFHVURJKSA-N 424.615 1.219 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc(C)cs2)CC1 1760554358 AVOCEPSEPMYEDG-UHFFFAOYSA-N 410.569 1.533 30 10 HDEE CCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1762983182 BXNDTELTAVCCRY-GOSISDBHSA-N 403.462 1.537 30 10 HDEE CCCN(C)C[C@H]1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765946103 ZHHWQDNYFLBQAN-VRTBNJGNSA-N 401.515 1.281 30 10 HDEE CN1CCN(CCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1767526445 AZHZSKHHUQGBKU-IBGZPJMESA-N 424.553 1.019 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1768980010 OKPDBAIGQNHUFH-SJORKVTESA-N 423.477 1.420 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1769285307 UVXQHMKTJFZLCX-QZTJIDSGSA-N 414.485 1.965 30 10 HDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2nn(-c3ccccc3)cc2C#N)CC1 1851265088 SDHKFXGGEZRKPN-UHFFFAOYSA-N 409.446 1.874 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)cc1 1852748106 ASUAJVMBNFCMHD-HKUYNNGSSA-N 415.471 1.466 30 10 HDEE Cn1ncc(C#N)c1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)c(Cl)c1 1852955736 VCEIMVJFWUARSE-AWEZNQCLSA-N 411.846 1.876 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CC[C@H](S(=O)(=O)c4ccccc4)C3)cnc2c1C#N 1852998013 CLGLMRRJAZPXDI-INIZCTEOSA-N 409.471 1.906 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(Cc3nc(C4CC4)no3)C2)CC1=O 1853679515 LZCIKKUERZNWEM-RDJZCZTQSA-N 401.511 1.794 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CC(c4nc(C(C)C)no4)C3)C2=O)CC1=O 1853880951 UIJJMKWCNJEUSZ-GDBMZVCRSA-N 415.494 1.144 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@H]4CCOC4)C(=O)C3)C2)c(F)c1 1854211453 SYJUIWIXQLWLJA-IEBWSBKVSA-N 414.481 1.369 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C1=O 1854241682 FQAGYLGLKDWRRZ-SFHVURJKSA-N 408.462 1.058 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1 1854503093 RWGYAIHHRXVRQC-MRXNPFEDSA-N 423.510 1.473 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@@H]1C 1854736495 YQURUQAWASWOES-GJZGRUSLSA-N 416.547 1.794 30 10 HDEE Cn1ccc(CC(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n1 1855445806 NHWXAXZHQSPJNO-FQEVSTJZSA-N 407.474 1.505 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)COc3ccc(-n4cnnn4)cc3)C2)CC1 1855596878 RNVJEUTXNPXUGP-KRWDZBQOSA-N 410.478 1.458 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCC(F)(F)C3)C2)CC1 1857034879 WNCBGFBJPGBGDG-HUUCEWRRSA-N 417.478 1.752 30 10 HDEE COCCN(Cc1cccn1C)C[C@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1857082412 OMRMZAIEGVNOLF-QGZVFWFLSA-N 409.490 1.819 30 10 HDEE C=CCNC(=O)[C@@H](CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593540 JGVWTBBQINQHIQ-DLBZAZTESA-N 417.506 1.292 30 10 HDEE CCN(CCO)C(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869928040 NZJLKLCLTSEJMS-QGZVFWFLSA-N 401.488 1.177 30 10 HDEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560591 CIXNIUDKXMMALT-HXUWFJFHSA-N 408.502 1.757 30 10 HDEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCC(CO)CC2)cc1=O 1870564036 YKCBWPSBQGKJOS-UHFFFAOYSA-N 401.551 1.941 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872596140 HXHANGNDOGZIRP-OAHLLOKOSA-N 407.423 1.926 30 10 HDEE CCCCCCCCNC(=O)Cc1nonc1OCC(=O)NCCN(CC)CC 1872657672 CGVRUDWMWNDMLY-UHFFFAOYSA-N 411.547 1.926 30 10 HDEE CC(=O)c1sc(C2=C(N)N(CCc3ccc(S(N)(=O)=O)cc3)CC2=O)nc1C 1872796247 RKIVTUSZKDULBW-UHFFFAOYSA-N 420.516 1.056 30 10 HDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)[nH]c3ccccc23)c1=O 1873495411 RREPPDPYEJCVBD-QGMBQPNBSA-N 401.404 1.094 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2F)CC1=O 1874274562 SPFJFNUGWMDRNP-IAAMAZNWSA-N 418.498 1.991 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(Br)cc1 1874432487 IQSHOWODDMLCFN-NGYBGAFCSA-N 411.285 1.136 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cccn4ccnc34)CC2)CC1 1889383893 WEQWCCVBIZLMDP-UHFFFAOYSA-N 423.561 1.985 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCC[C@@](O)(CNC(=O)OC(C)(C)C)C1 1982281178 HBSRXLXKSOXGAQ-CQSZACIVSA-N 413.334 1.576 30 10 HDEE C=C(Cl)[C@@H](O)CS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019022171 VETBCIPYRRRARW-UONOGXRCSA-N 419.883 1.673 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2089788664 MLPROTZOCBOGLY-UHFFFAOYSA-N 422.503 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174782269 OTYNEMOCQPRPQR-SANMLTNESA-N 414.509 1.607 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@]1(F)COCCN(C(=O)OC(C)(C)C)C1 2182455812 ZYOQYNOMIMMTMF-PBHICJAKSA-N 407.508 1.677 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195290796 GQJWGOPZEVNWHP-QWVSSGJLSA-N 402.513 1.411 30 10 HDEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243675656 ZFXIDUUGUQCLOE-CABCVRRESA-N 408.304 1.762 30 10 HDEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247819429 GPORNDQTSONUMB-LBPRGKRZSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2248481152 LFIPUCSNHWQAFU-WIEQDCTASA-N 420.315 1.810 30 10 HDEE C[C@H](CN)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267463535 IFXJNXZNMFVXOU-SECBINFHSA-N 409.144 1.918 30 10 HDEE CC(C)(CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)NS(C)(=O)=O 2281799749 ZLBNUTHPPCYLHZ-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)[C@H]1N 2282331932 UAYTZXKKPLEXQQ-JMSVASOKSA-N 400.375 1.794 30 10 HDEE CC(C)[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339806 XOLCIHYJXQEYGD-DZGCQCFKSA-N 401.359 1.827 30 10 HDEE CC(C)[C@H]1[C@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493513 WQCNHNKXLOIDCN-HIFRSBDPSA-N 401.359 1.827 30 10 HDEE CCOC(=O)C1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496907 JDRMQPRVHDJVRZ-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE COCC[C@@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502598 NLEDOXOSGUMEEN-GFCCVEGCSA-N 404.363 1.534 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCNC1 2282508851 BWJIDEXOUZTCEP-STQMWFEESA-N 400.375 1.714 30 10 HDEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CS(=O)(=O)C1(C)C 2282613621 CGDQUPJURZAXDD-NSHDSACASA-N 400.331 1.090 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282827929 GOUBHTUDPBNXQP-CYBMUJFWSA-N 401.721 1.855 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](F)C1CNC1 2282835294 RXOJFYNMLOPREC-LBPRGKRZSA-N 404.338 1.192 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@@H](N)C2)OC1(C)C 2282837280 SWSMOJDTTDLPSQ-TXEJJXNPSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCNC34CC4)cc2Cl)OC1(C)C 2282842762 CNZCWEKQYKULTR-NSHDSACASA-N 418.777 1.874 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@@H](CO)C3)c2)OC1(C)C 2282852324 NQQWKWIHPQKQBA-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CC(F)(F)CO2)OC1(C)C 2282866659 NCFYARUPCZAXAK-SNVBAGLBSA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(CN)CC3)ccc2Cl)OC1(C)C 2282872091 QFWNYIUZFPVXOG-UHFFFAOYSA-N 400.737 1.656 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284391193 HPTDDSQZJQQIEH-JTQLQIEISA-N 401.677 1.626 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284405388 KBCFRDQJSFCOJD-SNVBAGLBSA-N 421.733 1.938 30 10 HDEE CCN([C@@H](C)C(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284415319 WXCMQYSKPNWIEQ-JTQLQIEISA-N 404.319 1.067 30 10 HDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)[nH]c3ccc(C)cc23)c1=O 2321658095 CHERFWBWUMTEQY-UHFFFAOYSA-N 415.431 1.403 30 10 HDEE O=C(C=Cc1ccc2c(c1)OCO2)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2323232460 HZDQALRXOUUUMQ-UHFFFAOYSA-N 410.386 1.650 30 10 HDEE CC#CCN(CC(=O)O)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338849166 DXORHAZIBIQGHR-UHFFFAOYSA-N 420.487 1.583 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2365197078 SIMRVINNSYJHFT-HUUCEWRRSA-N 404.573 1.798 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365213535 VELJFBSTNBYUBO-YZVOILCLSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COC(C)(C)C)NC(=O)OC(C)(C)C 2367801891 WRJDNYUWBDMEAQ-CABCVRRESA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2367806977 OWZZVKXSZGJLDX-HUUCEWRRSA-N 402.557 1.552 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 7770366 QBMWSJUOUKFSLJ-CYBMUJFWSA-N 414.911 1.975 30 10 HDEE N#CC1=c2oc(=O)/c(=C\c3cccc(F)c3)n2-c2oc(N)nc2[C@@H]1c1cccc(F)c1 20437588 MXRGFFPKWMEUQO-QLGNDSFESA-N 418.359 1.927 30 10 HDEE CCCNC(=O)CN1CCN(/C(=N/c2ccc(C(=O)O)cc2)NCCCOC)CC1 21047060 ZJNDWSCHRADWPM-UHFFFAOYSA-N 419.526 1.142 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H](CO)c1cccc(Br)c1 409475769 DSXKFLKUCYWZEE-AWEZNQCLSA-N 406.302 1.179 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccc(C#N)c(Cl)c1 441216928 GIWLTJKYMJMDLQ-SRABZTEZSA-N 405.838 1.575 30 10 HDEE CCOC(=O)c1ccccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 442910499 ZUQVVRNOAXPWKX-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE CCOC(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 443049598 OSENWKFMPIHZRF-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE CS(=O)(=O)N1CCC[C@H](CN2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 444240034 CAHIHASHLJOXJW-QGZVFWFLSA-N 413.547 1.900 30 10 HDEE CN1C[C@@H](Nc2cc(N[C@@H]3CCC(=O)N(C)C3)cc(C#N)c2[N+](=O)[O-])CCC1=O 462876391 VYGFHVHBTJHIFS-KGLIPLIRSA-N 400.439 1.532 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1C 466888136 SLEQTGXRKNNJEW-UHFFFAOYSA-N 403.460 1.915 30 10 HDEE CCc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 477437267 SMTCCTYVQAGMSC-UHFFFAOYSA-N 400.460 1.789 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 480363995 HVRLXRPRGDYEPA-HNNXBMFYSA-N 410.496 1.519 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1C#N 489094313 AUYCNZOVKWZZPZ-UHFFFAOYSA-N 423.502 1.294 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 489357228 BPTZGIKTFVFZKZ-KRWDZBQOSA-N 422.551 1.837 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)nc1 501368106 BGACWANBXNUIAV-TXPKVOOTSA-N 414.535 1.328 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1N1CCCS1(=O)=O 505153533 VQVBGBIAYSCHHR-UHFFFAOYSA-N 404.492 1.626 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCn2ccc3cc(Cl)ccc32)CC1 509350275 JZIATERSDSPFPH-UHFFFAOYSA-N 403.914 1.924 30 10 HDEE C=CCN(C(=O)Cc1c(C)[nH]c2ccnn2c1=O)c1nc(C(=O)OCC)cs1 511788484 ULCIAIVKZYIKFJ-UHFFFAOYSA-N 401.448 1.726 30 10 HDEE CCNC(=O)COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 515117634 WFCDXAXRQWQHLS-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C#N)o3)c2=O)CC1 525777959 LQKGGDRBHHONOO-UHFFFAOYSA-N 422.510 1.513 30 10 HDEE N#CC1(NC(=O)Cc2ccc(S(N)(=O)=O)s2)CCN(Cc2ccccc2)CC1 539799247 MOHWARDWHJYZMI-UHFFFAOYSA-N 418.544 1.613 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)CC1 540338385 QVALPCBVMKXHFF-UYAOXDASSA-N 405.587 1.551 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)n1 545461917 JPPCLPPBZVPYCM-AWEZNQCLSA-N 411.412 1.933 30 10 HDEE N#CC1(CS(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CCCC1 546072243 WIZUDYCTXDHONV-UHFFFAOYSA-N 409.533 1.477 30 10 HDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549254011 NGCDCZMRNQVDQM-OAHLLOKOSA-N 419.489 1.160 30 10 HDEE COC[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 557252559 OGMDZTRYQQEGEN-OAQYLSRUSA-N 406.486 1.706 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 579413491 OLDIYCFPAZRHOF-SFHVURJKSA-N 400.504 1.924 30 10 HDEE C[C@H]1CN(Cc2cccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)c2)CCO1 586809487 SZMVNWLTHLNCIN-INIZCTEOSA-N 424.476 1.851 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2C)nn1 601919998 CNGMFHBWWMZBHI-UHFFFAOYSA-N 418.461 1.599 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccc(F)cc1 603786275 HUOWBXGPTLOQRA-UHFFFAOYSA-N 411.483 1.881 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccccn2)c1=O 603797547 IGSWTXGWKFSUJE-UHFFFAOYSA-N 416.506 1.728 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2OCC(F)(F)F)CC1 604168152 XVUWSLSZKCTESO-UHFFFAOYSA-N 415.416 1.152 30 10 HDEE Cc1cc(N2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)n2ncnc2n1 609100706 CDZQUIWDIZBNKP-IBGZPJMESA-N 416.489 1.622 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669803556 BZTQQACERWEQQI-NVXWUHKLSA-N 403.508 1.658 30 10 HDEE C=CCn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 669817897 MVIPLEQIADGWLY-QGZVFWFLSA-N 406.494 1.781 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(Cc3n[nH]c(C)n3)CC2)c(OC)c1 678888283 FMXHEUGPNVFCQH-SFHVURJKSA-N 401.511 1.408 30 10 HDEE CCN1CCN(C(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 732699065 VZYPPUPQQZWBAQ-FQEVSTJZSA-N 410.522 1.668 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1 733991267 ANOZHPYUZADOAS-IBGZPJMESA-N 411.483 1.524 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncs2)c1=O 767880249 LEPOGGBKTXIXRW-UHFFFAOYSA-N 408.508 1.446 30 10 HDEE C#CCN(C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@@H]1CCS(=O)(=O)C1 769682309 OXPFMSXKOIFPGD-APWZRJJASA-N 419.478 1.003 30 10 HDEE C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 769866943 XGZUFJMQCGINLY-LTRYHMRKSA-N 400.526 1.640 30 10 HDEE C#CCCN1CCC(NC(=O)c2n[nH]c3c2CN(C(=O)OC(C)(C)C)CC3)CC1 783640789 JITAIBRBBHFTGP-UHFFFAOYSA-N 401.511 1.920 30 10 HDEE COc1ccc(COC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1C#N 787000190 VDEVONMOGXBHIJ-LJQANCHMSA-N 401.463 1.323 30 10 HDEE CCCC(=O)N1CCC[C@H](C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787050747 FCNSLUMITHSODM-DOTOQJQBSA-N 400.435 1.959 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 787055699 BJQYAOBNTBJOPM-YPMHNXCESA-N 412.324 1.331 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 790679069 OMWVMXCTFQXKQS-GOSISDBHSA-N 400.454 1.098 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 792744313 AVSBNUUQYWVEPA-CVEARBPZSA-N 404.540 1.314 30 10 HDEE Cc1ccc(S(=O)(=O)Oc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 795284500 MVNLBZDHWLVYBO-UHFFFAOYSA-N 423.472 1.050 30 10 HDEE CN(C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(C)(C)C#N 796427018 VKGKGHARNZRINT-RHSMWYFYSA-N 403.483 1.412 30 10 HDEE Cc1cc(C#N)cc(NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)n1 804589885 KGQQFIBEXMDBMF-UHFFFAOYSA-N 424.504 1.478 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(OC)c1 805092500 JTLMESPGRXMNFX-UHFFFAOYSA-N 418.475 1.490 30 10 HDEE Cn1nncc1S(=O)(=O)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 805924262 GMJIQWRNMSHTIH-UHFFFAOYSA-N 422.898 1.452 30 10 HDEE C=CCc1cc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)OC)nn2)cc(OC)c1OC 811183022 GSPQLZDNGWHWCF-NVXWUHKLSA-N 417.418 1.607 30 10 HDEE O=C(O)CNS(=O)(=O)c1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)n2)cc1 916545283 FXKPPRTYKOKVAN-DHZHZOJOSA-N 412.427 1.526 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 917763919 XFHHGCWDBIFSML-UHFFFAOYSA-N 405.483 1.405 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)OC2CCCC2)n[nH]1 1084178801 XPXVVSYYACXCCT-UHFFFAOYSA-N 407.500 1.634 30 10 HDEE CC(=NNc1nnc(SCC(=O)Nc2nc(C)cs2)n1N)c1ccccn1 1084285293 KAAXQBGXYUVVGQ-UHFFFAOYSA-N 403.497 1.719 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1151604907 WTRYYSGWYMIUDT-CYBMUJFWSA-N 408.398 1.608 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C#N 1158939362 CAZOEPZRKXHDBN-GDBMZVCRSA-N 419.503 1.710 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 1160051051 HQGKAGAZOYYYKQ-UHFFFAOYSA-N 405.458 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)[C@H](O)c1ccc(C#N)cc1)CCO2 1160315011 FMMUKXIKHBGDLI-DYESRHJHSA-N 401.463 1.830 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)Cc1c(Br)cccc1OC 1188508251 VMXPGDJDCLMVTQ-UHFFFAOYSA-N 412.327 1.478 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1196807414 NJWZOGCACFFHLH-AEFFLSMTSA-N 421.519 1.292 30 10 HDEE C#CCC1(O)CCN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 1197265457 SDYYNTNVEHCAEA-UHFFFAOYSA-N 411.333 1.887 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 1221574020 GOZQANAAFXUNFA-QGZVFWFLSA-N 402.432 1.547 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)N[C@@H](CCC#N)c3ccccc3)CC2)CCOC1 1224537931 PISVHNUAXHGQGS-RXVVDRJESA-N 400.479 1.691 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1224764532 WHNGLHZTDJXACJ-SDNWHVSQSA-N 424.504 1.018 30 10 HDEE CON(C)C(=O)[C@H](C)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1253772972 IZIFNKGPQPDJMJ-LBPRGKRZSA-N 402.411 1.046 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc[nH]n1 1255985642 QBVOJIVKDNJWQF-QFBILLFUSA-N 417.441 1.394 30 10 HDEE C#CCCCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1286335438 QHNXNVPNYGLKAH-NHCUHLMSSA-N 404.511 1.729 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286363514 UIVHCRIMCPDMSK-QMMLZNLJSA-N 404.511 1.728 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NCCC)c1 1286407047 OOBOWVMBCISZLA-UHFFFAOYSA-N 413.485 1.996 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1286455634 GQILMIYHLBNUAO-HXUWFJFHSA-N 418.494 1.484 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286546045 FNSBTIDQHPPDSQ-NSHGMRRFSA-N 418.586 1.983 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1286757356 MEHFESDSZAKONL-QGZVFWFLSA-N 421.567 1.223 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CCO1 1289339272 NHUFWUKRCURPKZ-GOSISDBHSA-N 409.483 1.948 30 10 HDEE CCc1nnc(N2CCC(N(CC)CC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1292971316 VHSIOLWXMGBGCP-FMQUCBEESA-N 415.542 1.678 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1300363406 DWBBIWFZEFTXJD-QKLQHJQFSA-N 422.551 1.368 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300410710 PXTJKERPNSBMFW-GOSISDBHSA-N 413.526 1.989 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1300502665 VTUXHVRMLUSSNW-MOPGFXCFSA-N 418.563 1.983 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCCCN1CCOCC1 1300586697 IWRIPYFPNMWBSV-UHFFFAOYSA-N 406.534 1.839 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2F)CC1 1300698022 MMIPWBQCTTZFGW-KRWDZBQOSA-N 400.433 1.311 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)CC1 1300700650 UFDSESGDIPOAHV-INIZCTEOSA-N 419.576 1.354 30 10 HDEE COc1ncccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1300703115 BHXBPSDQYMGXKP-AWEZNQCLSA-N 406.450 1.973 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1301145663 CYNCBAYSKBWRNY-UHFFFAOYSA-N 406.556 1.968 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)CCC1 1303935913 BCHBRQJCAPWXTH-UHFFFAOYSA-N 408.480 1.756 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC#C[C@@H]2CCCCO2)c(OC)c1 1305001739 PAXCPZVYXOMYMQ-QFBILLFUSA-N 400.475 1.997 30 10 HDEE Nn1c(Cc2ccccc2)nnc1SCC#CCN1C(=O)c2ccccc2C1=O 1307373300 DNRXOLJSYBDMJQ-UHFFFAOYSA-N 403.467 1.974 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1313992889 BEUQDZYSRVYTHU-UHFFFAOYSA-N 423.521 1.973 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1314633818 RZHMUDQKQIUKEH-UHFFFAOYSA-N 411.510 1.646 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1314808825 SFHCPIRCRZJKLZ-QZTJIDSGSA-N 424.505 1.870 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1316028768 ASRSDCCLTQZEED-INIZCTEOSA-N 419.917 1.691 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CCO1 1316538271 JDAOUJXYAPWCQJ-JSGCOSHPSA-N 420.395 1.618 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)NC(=O)NC1=O 1318130668 LOXIVAJZAPDDMZ-SFHVURJKSA-N 418.862 1.745 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 1320768616 SBWOIEWXYOCBAI-CXAGYDPISA-N 410.352 1.289 30 10 HDEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3ccc(CC#N)cc3)c2)CC1 1330778035 NDMBSKRUSMBYBS-UHFFFAOYSA-N 412.515 1.870 30 10 HDEE CCOC(=O)c1c(NC(=O)C[C@@H]2CCOC[C@@H]2OCC)c(C#N)cn1CCOC 1355035631 FRVVZAOOOHBZPT-HOCLYGCPSA-N 407.467 1.953 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1358913733 WWVZGGUTEWWUGP-KRWDZBQOSA-N 409.556 1.275 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2cnn(C)c2)n1 1359027956 BMLPPCKWQIWLCO-SFHVURJKSA-N 424.509 1.047 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N2CCOCC2)CC1 1359033843 SWRJSAOESGQADG-LJQANCHMSA-N 424.549 1.430 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2csc(CC)n2)CC1 1359038263 PHZLOPLIFPCFHU-UHFFFAOYSA-N 424.578 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CC[C@H](F)C2)CC1 1359043598 AJAJVKNWZNUDCR-YJBOKZPZSA-N 413.501 1.783 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1359221769 MRIUDHLVWMGCKW-UHFFFAOYSA-N 416.526 1.213 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1359226597 IUAKVRQDWMPPNZ-SFHVURJKSA-N 415.542 1.825 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359288935 KFFTZVFRTGKAPS-LJQANCHMSA-N 424.505 1.852 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1359303189 HAHMJRAEFCEBMN-UHFFFAOYSA-N 421.505 1.848 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)CCOC1 1360348091 SFNYQRISMDOPSC-WAOWUJCRSA-N 418.542 1.388 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1ccc(F)c(Cl)c1 1439611171 FBHVEOVECXBLCN-GTNSWQLSSA-N 423.857 1.379 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nccn3C)C2)s1 1448674243 ZMGSIMKBPWMVCC-CQSZACIVSA-N 408.549 1.895 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2c(F)cccc2-n2cccn2)c1 1449693579 OSVPDKQHOIVKBD-UHFFFAOYSA-N 412.446 1.853 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C(=O)OC 1451178983 KFMVEAAAULNILE-QGZVFWFLSA-N 416.474 1.771 30 10 HDEE C=CCOCCCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1453521435 AGPGVPSRTBUPHV-UHFFFAOYSA-N 402.538 1.464 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1454257268 FIBJGRWYARMQSP-KRWDZBQOSA-N 412.515 1.882 30 10 HDEE C=CC[C@@]1(C(=O)NCc2cn(CC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1455126974 XEWKPINLSBXYHV-FQEVSTJZSA-N 406.483 1.931 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc3ncc(I)n3c2)C1 1455706877 VTENUYGSXREQMH-CYBMUJFWSA-N 408.243 1.766 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460823131 GZOJGMCBFADFJW-VCBZYWHSSA-N 404.467 1.331 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCO[C@@H](c2ccc(C#N)cc2)C1 1460859115 LXAHVERNLJAQTN-HPKGMJOESA-N 401.488 1.911 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc2c(cc1Br)OCO2 1464924978 LJRHQCUFONIZEI-PEZBUJJGSA-N 408.208 1.434 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)CC1 1465687953 BKHYBYPDEYSEOU-UHFFFAOYSA-N 420.491 1.746 30 10 HDEE Cc1cc(C#N)cc(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1466839281 DZVSUTMJCIIMPK-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE C=CCOc1ccc(CC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472222281 KLUQJNQLYXUKST-LFDOHDQPSA-N 406.504 1.121 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1507516923 NQGBWPXGGFQIGG-GJZGRUSLSA-N 405.524 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCC1 1507523401 LKAKENVVMRWGEI-MRXNPFEDSA-N 405.510 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS(=O)(=O)C1 1507531488 ASAOMINEABLMBZ-KBPBESRZSA-N 419.507 1.289 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccnc1-n1cccn1 1507604515 DXIQHASVKYBALY-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1507605297 SAUCKLHMKPFNCT-WIYYLYMNSA-N 405.543 1.501 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCOC1CCOCC1 1507605466 UQABBTMFXHEMEG-NRFANRHFSA-N 406.527 1.974 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COC2 1507713361 HIENLOOFLAVWRV-UHFFFAOYSA-N 409.490 1.565 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCOCC2)CC1 1507731518 KODXYVXJVGNYLU-HXUWFJFHSA-N 416.570 1.040 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507755537 VEUMUOROPDCEGG-RXVVDRJESA-N 419.595 1.840 30 10 HDEE C=C(C)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507836548 OZDFPIGLMIRMNP-JXXFODFXSA-N 408.499 1.255 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507918158 CERHRIMQCZYPGW-HNNXBMFYSA-N 409.556 1.626 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1508115878 DTBRUHPKTSOJLZ-DOTOQJQBSA-N 403.508 1.556 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1512545057 GIXYAIQCGOKZJN-ZDUSSCGKSA-N 420.420 1.335 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC2=CCCOC2)cc1 1521101642 GCHDNMRODLXMIN-QGZVFWFLSA-N 408.462 1.387 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)c1 1527617331 XLONCSVCZWOKJB-QGZVFWFLSA-N 418.453 1.734 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531978029 LBGMGYLWEFPNND-VBKZILBWSA-N 415.519 1.769 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C#N)c(Cl)n3)cn2)C[C@@H](C)O1 1538507200 CHVVMNXPJSDYEM-VXGBXAGGSA-N 402.842 1.691 30 10 HDEE C[C@H](Oc1ccc(Br)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538540219 SUQQILLVOFJRCS-MKBNYLNASA-N 413.293 1.613 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539527008 RSFYFTRLHUFLQF-LJQANCHMSA-N 420.627 1.786 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539580640 ZFQJUPJBCAYKBC-QWHCGFSZSA-N 416.320 1.578 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NC(C)C)CC1 1539884791 OYZCWMSJOZTZBF-UHFFFAOYSA-N 400.483 1.933 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1539891647 HWDYJAMGQYXHEJ-FQEVSTJZSA-N 417.535 1.216 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCS(C)(=O)=O 1539991050 XAQMYENEWULYQD-UHFFFAOYSA-N 416.511 1.368 30 10 HDEE CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1540718328 PIJMCCCDSMJUPQ-UHFFFAOYSA-N 407.430 1.709 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540873767 JAICDMGGMUBNBN-NDEPHWFRSA-N 401.536 1.907 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540915470 LULSKKISGUALBR-VXGBXAGGSA-N 405.446 1.916 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1545289612 CXUVZZZWLWAGGX-AWEZNQCLSA-N 424.498 1.330 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547727319 CCHIVNPWEUVZPG-QUCCMNQESA-N 424.553 1.342 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[C@H]2CCOC2)cc1 1555991615 RUBAHUCPRRHLFV-DLBZAZTESA-N 410.478 1.467 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)CCn1cc(C#N)c(O)nc1=O 1556509465 HYSABLLXRXEFFU-IOASZLSFSA-N 419.482 1.361 30 10 HDEE CSc1nc(O)c(C(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1C#N 1557062578 JTEOPKKCDDJWJF-UHFFFAOYSA-N 408.480 1.482 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C(=O)OC)C1CCCCCC1)c1cc[nH]n1 1558484041 VMCFEWXJBSTLFF-OAHLLOKOSA-N 422.482 1.569 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCCS(=O)(=O)C[C@@H]2c2ccccc2)cc1 1558595660 WHHDAYVAKWYIAW-LJQANCHMSA-N 411.483 1.676 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@H](Cn2ccnn2)C1 1560012933 DOYVDVWPPWPPKB-HOTGVXAUSA-N 400.508 1.869 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@]2(C)CCCOC2)CC1 1585675212 LARWEDWPHZCNNZ-OPYKATSASA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1587568149 NQQFGKUYHNRCTB-FOIQADDNSA-N 401.467 1.298 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@]34COCCN3C(=O)OC4)n[nH]2)c1C 1587636713 WGSYXQOJQBCDIR-LJQANCHMSA-N 400.439 1.027 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1587667475 IXNOIHDUVTWXRX-OAHLLOKOSA-N 416.507 1.078 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1587861059 GQIPUGDPIFHOTL-DOTOQJQBSA-N 402.524 1.669 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1587958819 UVMFBIAVSBLGOU-AWEZNQCLSA-N 402.476 1.568 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1588064588 LBLBEMOLBZTQBD-QGZVFWFLSA-N 402.524 1.062 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1588075169 ZRCUHEGYTHMNOO-QGZVFWFLSA-N 403.508 1.193 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1588646636 LLBLCPUIBFYAKE-CVEARBPZSA-N 412.581 1.409 30 10 HDEE C#CCSCCn1c(N2CCN(CC#C)CC2)nnc1[C@]1(OCC)CCOC1 1589125944 SMKQZFNUZMCRIB-FQEVSTJZSA-N 403.552 1.052 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1594807009 BHSWBWWAOMCENU-CQSZACIVSA-N 423.477 1.498 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1595831425 QCDNAWMBJXECDE-RTBURBONSA-N 410.540 1.422 30 10 HDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595838198 NDXPLCIVJWBSKW-OAHLLOKOSA-N 420.583 1.638 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595879058 VLXYGTZTZJLEBW-INIZCTEOSA-N 418.567 1.597 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CCO2)cc1 1611670904 BILUQAISJRENBW-NJYVYQBISA-N 409.486 1.899 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612948937 RBAWSZRFIWTDID-ZIAGYGMSSA-N 419.507 1.697 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1623876551 VPLQUEASJNULKR-OAHLLOKOSA-N 409.508 1.480 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)Cn2cc(C=O)c(-c3ccccc3)n2)CC1 1625327294 NQJUPWLNROKCEH-UHFFFAOYSA-N 400.442 1.978 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1625627416 OGKNEVBADZFHRI-UHFFFAOYSA-N 424.372 1.696 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2CN([C@@H]3CCOC3)C2)nc1C 1627229995 ATXWYOAHZCEEPY-GFCCVEGCSA-N 406.537 1.844 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 1629066508 ZQQBNGWXHMERLP-OAHLLOKOSA-N 407.448 1.498 30 10 HDEE C#CCN(CC(=O)NCC1(NS(C)(=O)=O)CCCCC1)C(=O)OC(C)(C)C 1629310363 LLLIBGMVOVHLCZ-UHFFFAOYSA-N 401.529 1.225 30 10 HDEE CN(C)CC#CCNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1631852652 DRJZIXFNKLTZDC-UHFFFAOYSA-N 401.326 1.684 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 1631899468 OYLGDEYXNYOJHC-SJORKVTESA-N 410.517 1.556 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 1633662196 HEUKWNATYRUUNG-AVGNSLFASA-N 406.405 1.125 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1634303257 ZTLWADNCKLVHJH-QZTJIDSGSA-N 424.563 1.570 30 10 HDEE CCOC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635128995 ISNQAWHUCLGNGG-QGZVFWFLSA-N 419.434 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC([C@H]3COC(=O)N3)CC2)CC1 1636414055 CAQFQPDYDLBJHT-QGZVFWFLSA-N 405.495 1.984 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3ccncc3)C(=O)OC)ccc2c1=O 1636429317 DCQYFUGMEIBDIR-QGZVFWFLSA-N 424.482 1.780 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1636471805 CXXYROHTAWVVEC-BJJXKVORSA-N 402.499 1.758 30 10 HDEE COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 1636546178 KUHVPVINBODYBA-HBUWYVDXSA-N 400.435 1.455 30 10 HDEE C#CCC1(O)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1636661086 ZNTONEZZCAPWKW-UHFFFAOYSA-N 404.532 1.781 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)C2)nc1 1641881103 DKVGLJPJLWWJDX-CYBMUJFWSA-N 419.894 1.971 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3csc(C)n3)c2)CC1 1643372281 DTDDCYTZAPVYMP-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE Cn1cnc(-c2nnc3n2CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C3)c1 1643793915 LOPZLMQQKHVPMM-UHFFFAOYSA-N 418.461 1.701 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)OC 1644144808 AQLSTUHDCQPUSQ-RYUDHWBXSA-N 406.863 1.443 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1ncc(C#N)cc1Cl 1648648122 DLZNJLAMHUWSTO-UHFFFAOYSA-N 408.867 1.149 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 1651805128 BSHQVLRUHITPLZ-WAOWUJCRSA-N 401.507 1.930 30 10 HDEE N#C[C@]12CN(C(=O)C3=Cc4ccccc4O[C@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1653072910 NKGROJHBIUWUGD-XGWLTEMNSA-N 412.389 1.790 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(Cc3nc[nH]n3)CC2)n(Cc2ccco2)c1C 1654093483 ADMJKQDCSQBPNN-UHFFFAOYSA-N 422.493 1.492 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1CN1CCN(S(=O)(=O)NCc2ccccc2)CC1 1654979145 SCFPSLOEOFUZLB-UHFFFAOYSA-N 415.475 1.619 30 10 HDEE C=CCN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1657599451 JLDFFOZPIBBUTM-DLBZAZTESA-N 402.557 1.670 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(C)C 1660280325 VVLHDPJRXYYYMP-UHFFFAOYSA-N 405.520 1.066 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNS(=O)(=O)c1cc(Br)ccc1C#N 1666391814 HLSWDXRIHGOCQH-UHFFFAOYSA-N 424.342 1.317 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2CC2CCOCC2)c1 1672011035 SOEMRCPSFIYYGH-SFHVURJKSA-N 408.520 1.809 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1682547358 DPENSURFPJJWQM-LPHOPBHVSA-N 421.563 1.953 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1683590634 RVJJZQCGCPYKCO-FQEVSTJZSA-N 412.515 1.916 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1685688583 PQUFANUWFVKFCG-WFASDCNBSA-N 414.325 1.704 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1nnc(CC)s1)C1CCN(C)CC1 1686399256 NZCUGCZAKBTCNA-ZIAGYGMSSA-N 406.556 1.803 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1689870418 NGNUSTMYNBUXDN-RBUKOAKNSA-N 409.490 1.752 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1689885499 KMZKXOAFNPEHTR-OAQYLSRUSA-N 422.493 1.353 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1689887116 PPTYVKDDPVBWSN-CALCHBBNSA-N 401.467 1.659 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNC(=O)c1cc[nH]n1 1689961380 VSZSAAKKKVKYNX-UHFFFAOYSA-N 416.445 1.823 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1CCC(=O)N1 1690095331 NCJFBHTYABHCMC-QGZVFWFLSA-N 419.489 1.700 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690170088 YUXTVTUNFQNTEK-KXBFYZLASA-N 402.524 1.429 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690343811 DUYILJROXLZCKI-ZIAGYGMSSA-N 403.936 1.300 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690484904 GZADBHUDPPNEGS-IAGOWNOFSA-N 423.583 1.887 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690544815 BRTVHIZGQRBUNM-HZPDHXFCSA-N 409.556 1.608 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCCOC)CC1 1690640975 XVYYNEKUILORRD-UHFFFAOYSA-N 416.482 1.171 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1690671056 OGXZQUPUGCCKEP-VVLHAWIVSA-N 421.567 1.497 30 10 HDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1690976102 SHWOOCIUTJAYFB-AWEZNQCLSA-N 422.493 1.457 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1693786281 PTODFBXDYPUCOQ-HUUCEWRRSA-N 418.523 1.370 30 10 HDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1696633205 UMXLHLYOACYIOY-HMWBCQRISA-N 409.450 1.092 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H]1COCCO1 1705575088 XJAILKMUIMJLNI-GHTZIAJQSA-N 402.495 1.197 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1705598419 JJHDVMVJFJAAPQ-IBGZPJMESA-N 412.515 1.184 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1705673356 XEXYJIATBDUUFQ-IIBYNOLFSA-N 414.510 1.700 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]2CCC[C@@H]21 1705819801 URSOIGNZNNOMPP-ULQDDVLXSA-N 409.556 1.956 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)C1CC1 1705849337 JUBDGXRYPGAMGW-ZKNHNOBHSA-N 423.583 1.984 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1705876060 OACGBSWKEYZXRZ-IAGOWNOFSA-N 409.556 1.079 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](F)COC)C1 1705922191 HYDJPFPHLXBGLY-KBPBESRZSA-N 407.446 1.772 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1706072515 DIGWEIJBPNJVRV-CQSZACIVSA-N 416.482 1.533 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1Cc1ncn(C)n1 1706420908 ANQMVSMLYKYHGD-UHFFFAOYSA-N 405.510 1.852 30 10 HDEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1709978932 DSHONNKMRSLVAV-FQEVSTJZSA-N 417.535 1.849 30 10 HDEE CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1711281050 DUSIPKPMSUKRNT-OXJNMPFZSA-N 405.522 1.250 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)cc1 1711880213 DAEZHZAHCMOESL-LJQANCHMSA-N 402.430 1.396 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1722278239 CJJHACNGCXMOQI-KUHUBIRLSA-N 420.560 1.675 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1722343897 KXNAWQAESHSDEY-HXUWFJFHSA-N 402.499 1.279 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1722368573 SCBXVJVYKFWONC-DLBZAZTESA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1c(C)nc2ccccc21 1722380906 BWHDJENFOOUDAA-SFHVURJKSA-N 401.474 1.660 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(C)=O)cc1 1722419218 SYMJUMGWMKZUQW-UHFFFAOYSA-N 412.494 1.509 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1722436014 YQTYAPKGSAEKRO-UHFFFAOYSA-N 421.549 1.744 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)[C@H]1CC 1722486921 GQIQPWWXDAOVGL-CQSZACIVSA-N 405.300 1.887 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722532223 GERRUIQVVWORKU-MRXNPFEDSA-N 414.514 1.670 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)CC1 1722577247 BJNUNQWAIYAALE-QGZVFWFLSA-N 413.526 1.984 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)nc2)C1 1722718789 MYDVXTOJQNJDKX-ROUUACIJSA-N 417.535 1.713 30 10 HDEE C=CCSCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1722740087 PERPLQGTAVYZFY-LJQANCHMSA-N 424.571 1.311 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1722865465 HLQZYJNZJMOGCL-OAHLLOKOSA-N 413.478 1.854 30 10 HDEE Cc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)s1 1726341755 GHQNAJZNPBCRGL-UHFFFAOYSA-N 410.507 1.986 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1740608984 GAKQCTJODXVAJA-CQSZACIVSA-N 408.911 1.960 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740610328 XEROPVPOXQEPPA-CABCVRRESA-N 401.433 1.505 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1740633669 PGHUMDJDQWWKGP-HNNXBMFYSA-N 413.459 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(C)c1 1740636839 FPHNHPNTSXJYSM-UHFFFAOYSA-N 401.474 1.490 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OCC)C(C)C 1740640485 OBXZQQYYDXEGJK-ROUUACIJSA-N 406.552 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1740672075 WHYGALYYBPCQNJ-AEFFLSMTSA-N 405.568 1.657 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](OC)C2CC2)CC1 1740704187 JSSFNHCLCFYKER-LJQANCHMSA-N 408.506 1.731 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN(C)CCC)C1 1740716656 WFIYMZCVQHDWDF-IAGOWNOFSA-N 404.584 1.764 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740960427 RHKRNWADOIXYMS-BTYIYWSLSA-N 415.469 1.321 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740986756 GQCPFZYLMSROGV-ZFWWWQNUSA-N 424.527 1.662 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1742021719 LPWXUKHEOBFHHG-HNNXBMFYSA-N 409.450 1.724 30 10 HDEE CC[C@@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1743857837 FCFPNGYUCQWXQY-APWZRJJASA-N 422.537 1.761 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1748666620 DYIDFNFHDLPZHZ-PBHICJAKSA-N 404.478 1.625 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1748760300 ZESNBKOCZJXLTM-CQSZACIVSA-N 400.508 1.398 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCn1cc([C@H]2CCOC2)cn1 1748852371 CPDGICGXIKKAAL-FQEVSTJZSA-N 415.501 1.737 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1F 1748892563 RFOAVJPGNCTYFI-KRWDZBQOSA-N 400.479 1.831 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CC(OCC)C2)CC1 1748993470 YWQXFQJMNGLQFU-UHFFFAOYSA-N 423.561 1.863 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(C(N)=O)c2)CC1 1749004711 MCBMHFKBQVNQMI-INIZCTEOSA-N 422.533 1.905 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCNC(=O)C1 1749026125 FKBQDSNEDKGZQG-UHFFFAOYSA-N 405.911 1.910 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1749143502 KMDCTEBAUVIFDU-LIRRHRJNSA-N 424.571 1.302 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749240327 WJJDHFXFUXNBQX-KRWDZBQOSA-N 424.505 1.988 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1749390111 AHLYNDDISINESQ-CABCVRRESA-N 412.560 1.302 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCc2ccccc21 1749597944 QVHPKWMRCLCIOP-AVRDEDQJSA-N 411.506 1.702 30 10 HDEE C=CCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749643144 IZAWVLKAOLRORB-SIKLNZKXSA-N 418.586 1.721 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1749650341 SYCRCHOTHBTWRQ-HKUYNNGSSA-N 420.558 1.179 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1749669571 ITPRPTCRQYIUES-CYBMUJFWSA-N 400.449 1.921 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1749681241 ZDUZYUMXQSOVEH-UHFFFAOYSA-N 420.464 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2C)C1 1749698334 TYDGKAGPLBXGRA-NQIIRXRSSA-N 416.526 1.802 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(COC)CCC1 1750154461 OMYDEIUENKKLTA-BBWFWOEESA-N 405.499 1.548 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1760117687 SALDWGYKPNNDKP-DOTOQJQBSA-N 402.520 1.889 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1760183942 FITJQEQDLQKGIL-MRXNPFEDSA-N 418.519 1.617 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCCO[C@@H](C)C1 1760208750 IVMFRQONXWGMQX-IBGZPJMESA-N 414.554 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(=O)N(C)C 1760212008 PWUIKQHNRCQPAL-JOCHJYFZSA-N 415.538 1.650 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@@](C)=O)CC2)CC1 1760262533 PIHCQDAGXOADCX-GDLZYMKVSA-N 411.575 1.844 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760272454 KRDQFAMRIBWOKS-MRXNPFEDSA-N 413.613 1.876 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760314954 WSQFWSCOCRGYLS-VXGBXAGGSA-N 407.334 1.908 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760365523 AYHIRYZOCGIBMC-LBPRGKRZSA-N 410.887 1.301 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1760554960 RWEIUBQMHONSIW-QGZVFWFLSA-N 421.571 1.566 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1760692555 BJNPRCYRVDJRBO-RYUDHWBXSA-N 422.415 1.877 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1761362010 UQTSJNCXPJBSSX-DNTCVELPSA-N 420.477 1.529 30 10 HDEE CCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1766069619 LFEWYVXJGWFTNY-OAQYLSRUSA-N 411.510 1.933 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC=CCO1 1767934639 HQCWKSDHNHKGNI-GOSISDBHSA-N 409.494 1.753 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1768462768 GLQAPZJYDMWTBR-MJGOQNOKSA-N 424.505 1.822 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCO[C@@H]2CCOC2)CCO1 1771536795 BZTNQWKVULBKBV-QZTJIDSGSA-N 415.469 1.932 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CCCO[C@H]2CCOC2)CCO1 1771539249 RPEGTRIZPSQRNM-PMACEKPBSA-N 411.506 1.988 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)OC[C@@H](C)N2CCS(=O)(=O)CC2)n1 1852090050 GCPVUFIZZGFZDF-LLVKDONJSA-N 405.398 1.556 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(COc3cccc(C#N)n3)CC2)C1 1852982809 QYBPNEJMMVNWSG-MRXNPFEDSA-N 406.508 1.242 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c1 1853845813 ZDCCEYFNUMZNAE-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)C3(CCCC3)C2=O)c1 1853916274 JRHXUQVLDQZOQW-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN(C)[C@@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1853996697 APCCGAHUVWENAG-CRAIPNDOSA-N 403.504 1.364 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2csc3c2CCOC3)C1=O)[C@@H]1CCN(C)C1=O 1854226941 SPYPGXCCJVDWON-CVEARBPZSA-N 403.504 1.281 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854551718 LEIQQCCYTYZALE-GOEBONIOSA-N 417.487 1.021 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)c1 1855942009 PHQUSIRCJUOVLG-FQEVSTJZSA-N 404.474 1.692 30 10 HDEE COc1ccc(OCC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c(OC)n1 1856518762 OCOLJFYFUMBYNG-HUUCEWRRSA-N 414.462 1.231 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)Cn3c(=O)oc4ccccc43)C1)CC2 1857231127 RDIMZGRLCLDEQS-HZPDHXFCSA-N 408.458 1.595 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CCn1cncn1 1857490765 UHPANPCMQSOWKE-UHFFFAOYSA-N 417.491 1.371 30 10 HDEE CN1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccccc2C#N)cc1 1859117727 ZGWWMMFAZKSNOW-LJQANCHMSA-N 405.458 1.959 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(O)c1 1862625635 LCRQUOTYOPWSIA-LJQANCHMSA-N 424.409 1.835 30 10 HDEE CCOc1cc(N2CCOCC2)c(OCC)c2c(=O)c(C(=O)NCC#N)c[nH]c12 1866447050 UDIFIFJHPHYEBW-UHFFFAOYSA-N 400.435 1.415 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535831 ROUFGCGCCZWAEY-INIZCTEOSA-N 410.478 1.957 30 10 HDEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N(CC)CCO)ncnc21 1873593080 DRZWTOWMSUCRHM-UHFFFAOYSA-N 402.543 1.898 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H](CS)C(=O)O)[C@@](C)(C(F)(F)F)C1 1882726152 HZSKPAWOWQCYLY-QIBSRJKCSA-N 400.419 1.921 30 10 HDEE CN(C)CC#CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1890866344 KSRATYODZSAQQA-LJQANCHMSA-N 421.538 1.782 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCc2nnnn2-c2ccc(Cl)cc2)cs1 1891489890 VLHLMRWUOSYCCV-UHFFFAOYSA-N 403.855 1.618 30 10 HDEE C#CCCN(CC(=O)O)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1900033683 JBPXABJEKXJTFU-SFHVURJKSA-N 417.506 1.948 30 10 HDEE N#CCc1cccc(C[S@@](=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074696806 USNMVWKQWIFGOB-JYRCXFKTSA-N 401.444 1.776 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@H]1O 2116219220 CZTXMJMYNPWYDL-CYZMBNFOSA-N 401.510 1.562 30 10 HDEE C#CCCN1CC[C@@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2139351227 FJGMKWKUYMEIJR-MRXNPFEDSA-N 417.531 1.326 30 10 HDEE Ic1cnn(CCN=C2N[C@@H](C[C@@H]3CCOC3)CS2)c1 2195433981 HDIOFLMGZRBVLJ-JQWIXIFHSA-N 406.293 1.975 30 10 HDEE COC(=O)NS(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206350028 NHBNRIYGUZGXCG-UHFFFAOYSA-N 402.303 1.006 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)C[C@H]3CCC3=O)ccc2Cl)OC1(C)C 2241158153 HFUQJYLQRNECTQ-SNVBAGLBSA-N 400.693 1.755 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2243675614 YSWJENFYMDUILZ-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE Cc1nn(C)c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247827967 LLSBIJUQBMKPDY-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2247858514 NTOCGVCAANVTQR-UHFFFAOYSA-N 409.295 1.769 30 10 HDEE CC1(C)OB(c2cccc(C(=O)N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)c2)OC1(C)C 2255879332 NNDIGRQXFHEBSG-LSDHHAIUSA-N 424.228 1.973 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@H]1CCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2258167090 DUXXMDHBKRIBMH-OWCLPIDISA-N 409.464 1.066 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCC(C)(C)CC#N)NC(=O)OCc1ccccc1 2258174717 FCAQAZYLAFNODE-OAHLLOKOSA-N 411.480 1.314 30 10 HDEE Cc1nc(S(=O)(=O)NCC=C(Cl)Cl)c(B2OC(C)(C)C(C)(C)O2)n1C 2267723986 CBFOQTLTDVSOJO-UHFFFAOYSA-N 410.132 1.625 30 10 HDEE CN(Cc1ccc(I)cc1)S(=O)(=O)N1CC[C@H](C#N)C1 2280339879 ISTOTCIKUQUGJP-GFCCVEGCSA-N 405.261 1.813 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(S(=O)(=O)C(F)F)C3)s2)OC1(C)C 2282199219 HFOJJBFMVZLSDD-UHFFFAOYSA-N 407.269 1.509 30 10 HDEE CC1(CO)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282338921 QTHWNKGJBDLBAE-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@H](CO)C2)OC1(C)C 2282340953 LRXWTBWYCXMNGT-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)c1csc(=N)[nH]1 2282348319 JYTFBXUAEUALDI-SECBINFHSA-N 415.371 1.956 30 10 HDEE CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282419266 NYXNMOGBTBHVIE-STQMWFEESA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@@H]2CN)OC1(C)C 2282837146 SCUMIZVLHBCCIL-BXUZGUMPSA-N 400.737 1.655 30 10 HDEE CCS(=O)(=O)CCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854902 XFQUVCSCBNJPTB-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)C[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282871731 LGMSRLPUTIFBIB-FORDYWAESA-N 421.415 1.709 30 10 HDEE CN(C1(CC(=O)O)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284393965 RQIFGHMGKROOMQ-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC=CC(=O)O)ccc2Cl)OC1(C)C 2284402178 HAVJKNCKOCFJGG-UHFFFAOYSA-N 401.677 1.558 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406635 APQHRSNCNNSLOP-LLVKDONJSA-N 421.371 1.532 30 10 HDEE COC[C@H](ONC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284423655 VOVBLBCZPSMQMY-VIFPVBQESA-N 405.665 1.462 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C(C)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 2297731061 PCIUQNHZBASMES-MRXNPFEDSA-N 410.430 1.380 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N[C@H]1C[C@@H]2CSC[C@H](C1)C2=NO 2318609181 DOPHBDPDWYPXFZ-ITGUQSILSA-N 423.516 1.174 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N(CCC#N)CC(F)(F)F 2335426813 WPIFQDGSMADXFU-SNVBAGLBSA-N 401.407 1.229 30 10 HDEE COCC[C@@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 2365175600 IQOGOMYNRTZRNJ-HNAYVOBHSA-N 403.541 1.980 30 10 HDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccc(F)cc1F 20292583 AROHBSBCJVFWDL-ODCIPOBUSA-N 404.406 1.842 30 10 HDEE CC[C@@]1(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)CCN(C(=O)C(C)C)C1 65292038 QIUCXXAXMYPKOV-OAQYLSRUSA-N 418.563 1.902 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H](CC)C(=O)O)C2=O)cc1 96567175 XFMCUEJEXKVGNH-MGPUTAFESA-N 403.435 1.388 30 10 HDEE CCOc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc([N+](=O)[O-])c1OC 169883590 HHDASKASVHLPIC-IUXPMGMMSA-N 423.407 1.142 30 10 HDEE Cn1c(NN=Cc2ccc(O)cc2O)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 254495483 WWPUQPRTEYLELQ-UHFFFAOYSA-N 420.429 1.339 30 10 HDEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@@H](O)CCC(C)(C)[C@H]3[C@@H](OC(C)=O)[C@@H](O)[C@@]2(C)O1 256351253 CLOQVZCSBYBUPB-OPDIDFGUSA-N 410.507 1.520 30 10 HDEE biogenic,in-vitro CN1CCN(CCCNc2ccc(S(N)(=O)=O)cc2C#N)[C@@H](c2ccccc2)C1 301327563 BSDREOOPPLEZLJ-OAQYLSRUSA-N 413.547 1.996 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N1CCN(CCO)[C@@H](C)C1 427393921 DHSIPRMSWJXBPG-INIZCTEOSA-N 423.473 1.518 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 434777320 PIYYYCUDIMIGCB-DZGCQCFKSA-N 406.426 1.926 30 10 HDEE N#CCN1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 465151142 ZCHBNRGSXJZDGW-UHFFFAOYSA-N 407.268 1.232 30 10 HDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccn(C)n1 470745558 PVZDCNJGQAMVHZ-MRXNPFEDSA-N 404.448 1.142 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)N3CCC[C@H]3C)c(C#N)c2N)cc1 472593204 SRFZPQHWNAXAOS-OAHLLOKOSA-N 402.524 1.886 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C#N 497892003 WZDHTIOCRIWVIM-FUHWJXTLSA-N 412.515 1.994 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)CC1 500655435 IDLLEVFUPCNTHI-UHFFFAOYSA-N 405.442 1.622 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 501196598 JATFNRUBGUQGTL-KBAYOESNSA-N 402.495 1.511 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC(=O)N1C 502909010 KUDUEHGFAXTTFT-HZPDHXFCSA-N 413.522 1.519 30 10 HDEE CS(=O)(=O)Nc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 504203695 IUQGAEWNXCXLBK-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE CSc1nc(O)c(C(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)cc1C#N 512956026 WLROZDYRJOWVEH-UHFFFAOYSA-N 408.443 1.935 30 10 HDEE N#Cc1cccnc1OC1CCC(N=c2[nH]c(=NCCO)c3ccccc3[nH]2)CC1 527325618 QTAJJELVDWZOGN-UHFFFAOYSA-N 404.474 1.947 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCC(F)(F)F)CC1 534874316 ZNHPLCDSZIRVQS-UHFFFAOYSA-N 407.439 1.687 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)ccc1F 536248602 MCQAHJFGXQUWDW-UZLBHIALSA-N 403.479 1.859 30 10 HDEE Cc1cccc2c(=O)n(CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)cnc12 544865951 VGPFBJYDTYTBFP-UHFFFAOYSA-N 402.458 1.711 30 10 HDEE CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 558868472 SCDUIWYWMYIYLZ-CQSZACIVSA-N 418.523 1.828 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)cc1)[S@@](=O)CC(=O)N(C)CCC#N 586279870 INMZZSOWCIAHJC-BGJPBQGDSA-N 400.298 1.897 30 10 HDEE CS(=O)(=O)NC1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 609498847 OVLYNIOPGUIJDE-UHFFFAOYSA-N 400.460 1.899 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc2c(c(C)nn2C)c1C)[C@@H]1CCS(=O)(=O)C1 729332381 OQMUCYAWEWHRMQ-MRXNPFEDSA-N 402.520 1.475 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCCO1 732561267 JPVFUZNBNWPFKV-HOCLYGCPSA-N 414.531 1.423 30 10 HDEE COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC(F)F)c1 732707121 UXKDNVGJNFYEOD-CYBMUJFWSA-N 422.388 1.212 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 733654078 MICDGYWLDACKFC-QGZVFWFLSA-N 406.527 1.947 30 10 HDEE C#CCCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 742787093 IGRJSZKVKWFMLI-UHFFFAOYSA-N 401.282 1.332 30 10 HDEE COCCOc1ccccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 751553588 FBHKDSCZCJNYEF-QGZVFWFLSA-N 411.483 1.141 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)/C=C\c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 758663615 QSSHGABNTBRWNR-JTGQJZMRSA-N 413.518 1.868 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(F)c1F 760620109 LLPNMUHVJUDZQP-UHFFFAOYSA-N 422.413 1.529 30 10 HDEE C#CCN(C(=O)NC1[C@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 774242429 VKRGUSAGZZJXJL-QWFCFKBJSA-N 417.575 1.975 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCOCC3)c(F)c2)n1 790105677 VSTXRWVPKSRJKJ-UHFFFAOYSA-N 400.454 1.781 30 10 HDEE C[C@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)N(CCC#N)c1ccc(F)cc1 790682533 KTCGBZMQMMBHKW-BTYIYWSLSA-N 415.421 1.617 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 796711965 TWFBQOLEAVZTGU-UHFFFAOYSA-N 421.500 1.165 30 10 HDEE CC(=O)c1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c(Cl)cc1Cl 798864767 MTQIMHRDDXAFLK-SSDOTTSWSA-N 416.246 1.725 30 10 HDEE COc1cc2c(cc1F)CC[C@@H]2NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 801082684 DUZQPIFQDAUADG-HNNXBMFYSA-N 403.435 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 801712863 ORWHFZFGZOLNHZ-CRAIPNDOSA-N 414.528 1.179 30 10 HDEE CC1(C)CN=C(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)S1 804155864 JNVWAYDGQKWWKT-UHFFFAOYSA-N 403.483 1.339 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 914678759 OJXSRIWMMUUSSA-LXZKKBNFSA-N 408.476 1.197 30 10 HDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c(OC)c1 1084429403 DTEFROMIJNTJRL-UHFFFAOYSA-N 420.480 1.850 30 10 HDEE Cc1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)ncc1C#N 1128738204 YQTANZJTQFKHNH-QGZVFWFLSA-N 410.449 1.848 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)C3(S(C)(=O)=O)CCOCC3)c2C#N)C1 1131605462 AUUJTMWPZQVERK-UHFFFAOYSA-N 411.505 1.057 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)ncc3Cl)C[C@H]1CS(=O)(=O)C2 1134280123 UCLGXFBZTKZVAL-SDBXPKJASA-N 404.673 1.508 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 1137090681 RHQOOSNYHQPVOV-CQSZACIVSA-N 400.439 1.916 30 10 HDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1139659120 ZVBVSLOEDAAYNU-BRWVUGGUSA-N 413.515 1.446 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(F)(F)F)c1 1152829363 BQEQYAMNYODDRS-SJLPKXTDSA-N 424.423 1.459 30 10 HDEE COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC2 1159235547 ATTDSYYSGLOOSN-UHFFFAOYSA-N 413.455 1.786 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 1160053141 ZDMTVQARQMOULO-UHFFFAOYSA-N 413.503 1.474 30 10 HDEE C#CC[C@]1(C(=O)N(C)CC(=O)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1169040601 HIRCBQGQWFXUEN-OAQYLSRUSA-N 406.527 1.012 30 10 HDEE CC1(C)OB(C2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)OC1(C)C 1176611952 PIGQFFIVPHITKG-UHFFFAOYSA-N 414.315 1.716 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CCN(C)CC1 1178739131 FUMAZIPJGCTWAF-LJQANCHMSA-N 419.547 1.314 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCO[C@](COC)(C(=O)OC(C)(C)C)C1 1227925145 VKQTXLWUWREENJ-JOCHJYFZSA-N 418.490 1.967 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1233927364 GAEXJQJRKXYDFB-LBPRGKRZSA-N 405.929 1.456 30 10 HDEE C=CCO[C@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)C1 1254555245 CFTUDLMLUAQCQB-ZDUSSCGKSA-N 407.492 1.873 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CCO[C@H](C#N)C1)C2 1254799344 IBROARSEJYTZGR-GFCCVEGCSA-N 407.496 1.870 30 10 HDEE C=CCNC(=O)CN1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1271440067 WUQINBFXABIJLC-NHHWGVFUSA-N 401.551 1.663 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286271868 WFWYAXMKJKJSIO-RCCFBDPRSA-N 402.543 1.471 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286323888 JUHIZRYJABLWNI-QZTJIDSGSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cncn1 1286426044 HPZKZRSLXHYFQU-UHFFFAOYSA-N 413.445 1.349 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nccn1C(F)F 1286460560 GAPILGMQCKBIIG-UHFFFAOYSA-N 407.425 1.240 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)NCCC)CC1 1286652114 SKEFQHLMSXMFPQ-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)n(C)c2=O)CC1 1286652895 LVKVCVCVRPSWMZ-UHFFFAOYSA-N 410.522 1.972 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286694935 KMLWNKGJCRAYGC-ZBFHGGJFSA-N 423.543 1.166 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1286726617 GKYLJLLEKPOFEJ-OAHLLOKOSA-N 424.548 1.254 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ncc(CC)s1 1286791071 SHUBODZKVJNHDU-UHFFFAOYSA-N 417.539 1.358 30 10 HDEE CC1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1289037302 IARPXKUGRLDHGS-ISLYRVAYSA-N 400.483 1.372 30 10 HDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1289066169 LSXFZMCLRXPCNB-RXVVDRJESA-N 424.461 1.263 30 10 HDEE C#C[C@@H](NC(=O)c1cnc2c(c1)c(O)nc(=O)n2C)c1ccc(Br)cc1 1298538654 LAGACCXDTZDION-CQSZACIVSA-N 413.231 1.901 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC3(CN(C)C(=O)O3)C2)nnc1-c1ccco1 1299510130 GBXDSHIOTSIGPD-UHFFFAOYSA-N 403.464 1.869 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 1300018690 LFAFLTNJIOGWHD-QGZVFWFLSA-N 414.487 1.986 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300419497 NTBKCAWKXRQMNF-SFHVURJKSA-N 408.506 1.869 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCCNC(C)=O 1300569582 OBRGBAJSCLGKAL-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300732353 MPCYDHMPROZVCN-AWEZNQCLSA-N 406.556 1.230 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300848389 FLTMJJQQFKEBFX-RYUDHWBXSA-N 407.334 1.560 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CCO1 1301898848 GXCSYDCCRJIVFX-IBGZPJMESA-N 412.494 1.321 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1301953101 QEQGFKUVKIDFMF-HOTGVXAUSA-N 419.493 1.980 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)CCO1 1303005482 ZZIHLMCBWWZMEH-UONOGXRCSA-N 422.898 1.006 30 10 HDEE CC(C)N(C)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1303274289 BRUPCPXLFJSGEX-MRXNPFEDSA-N 409.542 1.872 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(F)(F)F)n1Cc1ccc(C#N)o1 1303811055 VRVFOXGRPCWFPG-SECBINFHSA-N 406.390 1.400 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCNC(=O)C(C)C)n1 1304741427 RSUIIYXJILUWDP-HNNXBMFYSA-N 400.531 1.898 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1305248070 ALJWQOMQHKIUFE-AOMKIAJQSA-N 424.505 1.448 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1307781729 NGFJMTOWIWOQJD-JOCHJYFZSA-N 417.575 1.790 30 10 HDEE N#Cc1ccc(CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1F 1307957821 PAHPISQHHAOWEI-UHFFFAOYSA-N 402.495 1.793 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 1308914605 OIAJMYRSYHACIL-DLBZAZTESA-N 414.572 1.107 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1313718727 CTZRZPBACAFLEL-KEYYUXOJSA-N 415.539 1.061 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C(C)C)CC1 1315000513 CPYGDBHEVCXAJB-UHFFFAOYSA-N 423.521 1.551 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1358870650 QNJYCGUNVBFONP-HNNXBMFYSA-N 404.478 1.893 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1358919390 BHHGEVJYRVKOCN-MRXNPFEDSA-N 416.551 1.758 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358955159 FXBBPQIBGCLROY-INIZCTEOSA-N 404.540 1.293 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358956737 JZPANLWFNXKNJW-ZWKOTPCHSA-N 405.568 1.680 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358965036 MTEYCEWDNTVMJX-MSOLQXFVSA-N 415.519 1.070 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1358994561 QCSIOFFSGCIRNJ-KSZLIROESA-N 419.551 1.291 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1cccc(C(N)=O)c1 1359022507 CHGVSWAYSKZFSP-UHFFFAOYSA-N 404.474 1.768 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(N)=O)cc1 1359024552 PKOOTWROCRTUAX-KRWDZBQOSA-N 412.494 1.797 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1359228985 VCFFADIEBKEMKF-UHFFFAOYSA-N 418.498 1.072 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1)C1CC1 1359253114 SUPHHDKIENXGBH-UHFFFAOYSA-N 400.527 1.814 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1359648939 DUBWRODTDJJNNG-LJQANCHMSA-N 420.539 1.209 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)c(C#N)cn1CC 1436863449 SHVLLUOEAHYIRA-IAGOWNOFSA-N 412.494 1.964 30 10 HDEE CC(=O)N1C[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)Oc2ccccc21 1437520121 BBIYLTXNAVCSDS-LJQANCHMSA-N 402.414 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCc3ccc(C(=O)NO)cc3)c2C1 1448503383 PXHUNSUKWVSLMB-UHFFFAOYSA-N 415.450 1.752 30 10 HDEE Cc1ccc(C(=O)NCc2noc(C(F)(F)F)n2)cc1S(=O)(=O)NCC#N 1448635056 VJBNXAOTBIHRIN-UHFFFAOYSA-N 403.342 1.129 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1452938353 XENWUEISPXYUPV-UHFFFAOYSA-N 419.482 1.487 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)CC2=O)cn1 1454672708 ACNGGPGABTXUPM-HTAPYJJXSA-N 422.489 1.361 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456061342 KSRSTDOMJIPSMH-ROUUACIJSA-N 419.551 1.950 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1456192566 FAOQZWHKLMMWMW-WOJBJXKFSA-N 400.523 1.471 30 10 HDEE CC[C@H]1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1462998540 NRRFEQAROAFYRO-YGTYGHESSA-N 411.524 1.419 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C3(C)OCCO3)cc2)cc1 1471004992 KTHQUMTXESAERC-UHFFFAOYSA-N 414.483 1.748 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)c1 1471930122 ZJBTXJOGRSNNNT-NVALYEJGSA-N 408.520 1.853 30 10 HDEE NC(=O)CSc1nnc(SCC#CCN2C(=O)c3ccccc3C2=O)s1 1472929260 OHHYBSCENDPRTD-UHFFFAOYSA-N 404.498 1.507 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 1473620458 IUVKLKVSCUBSNR-CQSZACIVSA-N 417.462 1.771 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2nc(CC(=O)OCC)cs2)c1 1475683849 POVWRIXRSKDRDA-UHFFFAOYSA-N 423.516 1.643 30 10 HDEE C#CCC1(NC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CCOCC1 1478126605 XELZJVKTIAKGDD-SFHVURJKSA-N 401.463 1.681 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1503570503 UNSVTLYBVVUXEG-AWEZNQCLSA-N 417.420 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507516214 JVHAIATZGALRDN-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](C)OC 1507653593 RWGWWHPYQKGDCM-MRXNPFEDSA-N 404.474 1.783 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1507718696 GRUIJJRLVLOAAQ-OFNKIYASSA-N 409.534 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@](C)(O)CCOC)CC1 1507722024 WVZYBZUZVAOQGA-JOCHJYFZSA-N 413.522 1.496 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccnc2)CC1 1507737708 CIZTYWAVPCEYPW-FQEVSTJZSA-N 422.533 1.776 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1507744112 NYIKBPROUIXTOY-MRXNPFEDSA-N 420.583 1.524 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507755760 HCOUBALQTLFGFB-OAHLLOKOSA-N 418.592 1.963 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)CC1 1507901547 BGIAKDKCSQMNMN-INIZCTEOSA-N 413.544 1.050 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1507968398 SFQYVYPFROPWKX-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE COCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1518998849 QJMJACBSYXYJOB-DYESRHJHSA-N 419.526 1.864 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1519326675 JDGNQZWHVICFAX-GUXCAODWSA-N 407.515 1.672 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)c3nccnc3c2)CC1 1524476588 LLTHYWDEAMQSTA-UHFFFAOYSA-N 401.264 1.994 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1527792741 AXNOFDRLYJCCJC-UHFFFAOYSA-N 408.458 1.632 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2ccc(C(N)=O)cc2)c1 1528404822 JVEFLDBLVWSZOD-UHFFFAOYSA-N 419.481 1.591 30 10 HDEE C=CCc1cc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)cc(OC)c1OC 1530436121 DRAXSWINMIOEGK-UHFFFAOYSA-N 419.522 1.295 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](C)(C#N)C3)CC2)cc1OC 1533644571 HLQLVHBDWCRVTQ-HXUWFJFHSA-N 421.519 1.867 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OCC 1537004148 SBIOBIZWZYZRPQ-CYBMUJFWSA-N 423.516 1.926 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539112784 ZIVRSMRISJWAGZ-UHFFFAOYSA-N 403.512 1.009 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1539186547 UEMNSLHMUAKMIT-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1539217002 ZCESNWWCTMWIAN-DLBZAZTESA-N 420.539 1.120 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)C1CCCCC1 1539413792 NZPMZKHLKPONJR-UWJYYQICSA-N 403.527 1.647 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539704783 IYIHLGGSQRBROF-KRWDZBQOSA-N 410.526 1.988 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)[C@H]1CC 1540013008 HIKDGVYACNOSGN-CQSZACIVSA-N 402.524 1.951 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1540074317 XPWZBXIXELNLCO-LBPRGKRZSA-N 411.450 1.576 30 10 HDEE C[C@@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1544546215 XCBOFFZZJHOQHF-ZJPYXAASSA-N 418.542 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCS(C)(=O)=O 1544970515 KQHRKWPBABFROA-INIZCTEOSA-N 407.492 1.553 30 10 HDEE N#CCc1ccnc(NC(=O)Cn2nc(Br)c(Br)n2)c1 1545452763 BBFOYBGIYFIERH-UHFFFAOYSA-N 400.034 1.903 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1c(C)nn(C)c1C 1546532279 GICLHRVNWYFHOO-AWEZNQCLSA-N 420.525 1.616 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@H](CC(N)=O)C2)o1 1555989198 BTPAXYHXRHIMFP-AWEZNQCLSA-N 411.466 1.119 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([C@H](F)C(=O)OCC)C2)s1 1557235115 YIOXDYYSGRBZOP-WBMJQRKESA-N 418.512 1.505 30 10 HDEE C[C@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)n1 1557378846 QLPNRYRYPLYAAE-WFASDCNBSA-N 412.450 1.198 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCCN4C(=O)CCC4=O)CC3)n[nH]2)cc1 1557389946 KWMXUDZGCRHSQX-UHFFFAOYSA-N 420.473 1.526 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OC 1558381185 ILZMZNRITFWOOZ-INIZCTEOSA-N 411.524 1.827 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C#N 1558643219 PNRDGNUAQGMYCD-KPZWWZAWSA-N 402.501 1.563 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@@H]32)cc1 1558654296 FUYBQCUKZXDWSV-DLBZAZTESA-N 419.503 1.432 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3=Cc4ccccc4O[C@@H]3C(F)(F)F)C2)c(=O)nc1O 1558806475 QOFQJKWVYUWTOK-HNNXBMFYSA-N 418.331 1.611 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1 1561154639 HVAMQERTUYGGTM-UPJWGTAASA-N 405.460 1.491 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1 1562263569 PJNHAHNGSXWHII-KRWDZBQOSA-N 406.508 1.656 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)C1=O 1563356477 RPKUOSNMGAWLGL-KRWDZBQOSA-N 400.479 1.863 30 10 HDEE N#Cc1cc(NC(=O)CCCCCCS(N)(=O)=O)ccc1N1CCC(O)CC1 1566387620 QUUZCTOVEXXCFN-UHFFFAOYSA-N 408.524 1.697 30 10 HDEE CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1586253918 FLCVFYLYBJGFNO-UHFFFAOYSA-N 409.855 1.441 30 10 HDEE C[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Oc1ccccc1Br 1587573799 CVTRGVPCUUCUJD-SNVBAGLBSA-N 407.224 1.167 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1588028957 AZZQDRKTZATKCY-KSSFIOAISA-N 412.581 1.070 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN(C)CCCOC)CC1 1588811352 HJZJSHWDMFXDJF-IBGZPJMESA-N 404.559 1.243 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC)N2CCCC2)CC1 1588865244 QWWLEVBRQLUEPO-LJQANCHMSA-N 413.570 1.030 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCc2cn[nH]c2)CC1 1588954995 NUKIZYGHKKBWPG-UHFFFAOYSA-N 418.505 1.196 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589060211 OOSNVAPNECJLPU-QFBILLFUSA-N 424.592 1.901 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H]1C(C)C 1589150801 LKAYYVSLEWZIBI-PFRQMTDMSA-N 423.583 1.942 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCC)CC1 1595543931 BUJGHXXKBUKFQG-QGZVFWFLSA-N 418.542 1.565 30 10 HDEE COC(=O)c1ccc(NCCNS(=O)(=O)c2ccc(Cl)cc2F)c(C#N)n1 1612289260 DMRZORWQAKBFKT-UHFFFAOYSA-N 412.830 1.923 30 10 HDEE C=C(C)C(=O)O[C@H]1[C@H](OC(C)=O)[C@](C)(O)C(=O)C=C[C@@H](C)C[C@H]2OC(=O)C(=C)[C@H]21 1614586025 COWWBPRRBQOULA-VRUWDCATSA-N 406.431 1.420 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1615729556 MSLABFLKAKXPCO-JXFKEZNVSA-N 400.458 1.844 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cc(C)c(C#N)c(C)c2)c1 1616330748 LKNBLJUPUVRROZ-CQSZACIVSA-N 414.487 1.840 30 10 HDEE N#C[C@@]12CN(C(=O)c3nc(Br)sc3C3CC3)C[C@H]1CS(=O)(=O)C2 1617486179 AOYWSJVKNQASKG-XPTSAGLGSA-N 416.322 1.793 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1620071598 UCMNJJYZRDNIGT-GOSISDBHSA-N 412.494 1.572 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCCOc1ccc(C#N)cc1 1620428912 ZUXSULAAEYFFPF-NRFANRHFSA-N 405.495 1.915 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 1621679529 ZHVKVYNEDABWIW-OAHLLOKOSA-N 400.522 1.645 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)CC1 1622067241 HAGUXYOEWVTCOR-UHFFFAOYSA-N 417.409 1.338 30 10 HDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1623668825 BYKDUJOCCSNWAP-KRWDZBQOSA-N 417.510 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)Cn1cc(C#N)c(O)nc1=O 1624324695 AKROYRCVUJARAT-AWEZNQCLSA-N 405.455 1.116 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1624436967 DIJDCYSPZDZVEN-HUUCEWRRSA-N 413.515 1.637 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1625006019 JLTZEKNPCVWMJP-KGLIPLIRSA-N 423.963 1.953 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4noc(C)n4)CC3)n[nH]2)c1C 1627004289 UBYFBXDAUGOBJU-UHFFFAOYSA-N 410.482 1.725 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cc[nH]n1 1632933180 PSIQXNHSGPLBAO-GJZGRUSLSA-N 406.483 1.936 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1C[C@@H](F)CN1C(=O)OCc1ccccc1)C(=O)OC 1634063395 JKVNLVCQMOCPRV-IXDOHACOSA-N 408.426 1.596 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)C1 1634108660 NRWMXIXRXOIIDS-JYJNAYRXSA-N 419.526 1.692 30 10 HDEE CC1=NS(=O)(=O)N(C)C=C1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1635327872 BPJPJTXAECUYKW-UHFFFAOYSA-N 407.883 1.395 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1635737063 DPJPTEFQTARZIS-AVRDEDQJSA-N 410.474 1.620 30 10 HDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1637449887 SNALCNSIOLKJFT-FXAWDEMLSA-N 416.522 1.582 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C1 1638075501 QRWIXWYBTVFOJB-WMZOPIPTSA-N 418.519 1.660 30 10 HDEE C=CC[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1638326935 ZNSUUWWXIYIUBD-UONOGXRCSA-N 418.512 1.035 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1ccc(C#N)cn1 1638376735 RKTXYJJFYCAQTH-KJEVXHAQSA-N 406.364 1.555 30 10 HDEE CC(C)[C@@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)N1CCN(C)CC1 1638404436 FMNNSESLWGSCPH-ZWKOTPCHSA-N 409.575 1.962 30 10 HDEE CNC(=O)NC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1639151913 UAWOZOCIAOGHJT-UHFFFAOYSA-N 420.311 1.677 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1639174912 DNYSCTQAXOSDDE-QRFRQXIXSA-N 405.495 1.577 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(I)cc1NC)C(=O)OC 1639558626 MSTCKKOVUMXSPI-CYBMUJFWSA-N 418.231 1.807 30 10 HDEE CC1(C)[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@@H]1N1CCOCC1 1639631800 VZLZNYSIPMDGJB-OALUTQOASA-N 419.547 1.993 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@@H]2CCN(c3ccccc3Cl)C2)c(=O)nc1O 1640255582 FJZLJHBWUKNKNF-ZDUSSCGKSA-N 401.854 1.507 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)CN3CCCCC3)C2)C1 1640490410 ASFIDOPDTXFPNI-YHHIVYBXSA-N 420.554 1.736 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1)c1cc[nH]n1 1641347695 FACSEIUHMMIHPX-IYBDPMFKSA-N 411.462 1.288 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C[C@H]1CCCO1)C(F)(F)F 1643939505 XKUHMCRHCZGYLC-NJZAAPMLSA-N 419.425 1.841 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OCC 1644563968 YIUZRJPHHIWMLE-SFHVURJKSA-N 417.487 1.932 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)C1 1644588451 AEYXBTBRBHELHB-SFHVURJKSA-N 406.504 1.582 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@](C)(CO)Cn3cnc4ccccc43)CC2)o1 1647941779 JHWXDPWFXHYNKP-JOCHJYFZSA-N 422.489 1.988 30 10 HDEE C#CCC1(O)CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1654619554 FHCSEODGBLMAQC-UHFFFAOYSA-N 419.547 1.650 30 10 HDEE CS(=O)(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)co2)cc1 1655683372 AMXYUENAGLVZKG-KSSFIOAISA-N 421.500 1.115 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1663387836 BTWGCRCXWJAHHQ-VSZNYVQBSA-N 410.492 1.285 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cc1 1665969552 PDWCUKONWIUXLD-HOTGVXAUSA-N 410.540 1.412 30 10 HDEE C=CCc1cc(CNC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)cc(OC)c1OC 1683367633 WHFWJSINSNYUMD-INIZCTEOSA-N 412.508 1.123 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC(O)(c2scnc2Br)CC1 1684304782 SUDQPBPJLLTENO-LLVKDONJSA-N 402.314 1.937 30 10 HDEE C#CCC1(NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CCOCC1 1687388617 KSIYLDWCADJHFS-INIZCTEOSA-N 407.511 1.581 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)C1 1687593028 GSQFXNVISNBZSO-IAGOWNOFSA-N 404.515 1.092 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCCS(C)(=O)=O 1689826444 NZGUQAVOZHHVAC-OAHLLOKOSA-N 418.523 1.598 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1689961398 WIMVUPRYOMAWFV-MRXNPFEDSA-N 413.526 1.101 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689988720 VBQYBGOFOPTYOY-ZBFHGGJFSA-N 407.540 1.087 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCSC1 1690027109 ZMKSLYHNVPMERZ-NRFANRHFSA-N 412.515 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1690077482 PNQZYQWCYSSIAV-LSDHHAIUSA-N 401.433 1.505 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1690097307 DQJOFCSSFNAAAH-UHFFFAOYSA-N 423.477 1.251 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnn(C)c1 1690100014 ULTLUPPUQGRSDZ-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690320457 UHNQKVTWFZQFRP-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)CC1 1690413567 YHTIKZWDJFIZCT-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1691002976 ABHJFQKPZLKRTN-GOEBONIOSA-N 422.555 1.397 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1696098808 VYLDUJDJYDDOCL-HNAYVOBHSA-N 418.885 1.756 30 10 HDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696286833 IYVSGVSMEUTALV-VHEBQXMUSA-N 413.482 1.471 30 10 HDEE COCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1697978022 BTRGTOAGKHKHDJ-CQSZACIVSA-N 404.496 1.425 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705530418 OMHFMTDKPHJIJC-UHFFFAOYSA-N 410.526 1.820 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)CC 1705591238 KKDXYHZDKVUTDT-UHFFFAOYSA-N 400.504 1.851 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705630311 NWPIHQPCRKNKRA-RTBURBONSA-N 416.570 1.607 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(C(N)=O)CCCC2)CC1 1705649321 SWCHDHJEHVKKQS-UHFFFAOYSA-N 423.521 1.285 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C(C)C)C(C)C 1705668576 PGYMQGYIHKCLNW-YLJYHZDGSA-N 424.615 1.999 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1705826818 KHMPSEHNWBRZJQ-GOSISDBHSA-N 404.559 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1705895329 BULUJKGPBCFNHE-GFCCVEGCSA-N 420.271 1.067 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1706076829 DEMMWLVENPEWNY-IERDGZPVSA-N 409.494 1.918 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccs2)CCOC1 1706679958 NSAOVBRYFCUSHW-BEFAXECRSA-N 418.523 1.747 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)OC 1712150909 ABUMAHAOGNPNQD-KURKYZTESA-N 401.467 1.328 30 10 HDEE C#CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCOCC1 1722333270 UNSGDENUAANKSU-MRXNPFEDSA-N 405.499 1.837 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722335817 ZERAXWCNGYNFFT-SFHVURJKSA-N 416.551 1.443 30 10 HDEE C#CCCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722338980 OHSDUYFOGKSZJF-OAGGEKHMSA-N 416.526 1.774 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cn2ccc(C)cc2n1 1722387344 JWJINOIEIKNISB-UHFFFAOYSA-N 403.490 1.884 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1722415443 DLESJXMEKAWRRM-UHFFFAOYSA-N 414.535 1.680 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722459168 DXBYMBCKIRSQKF-PXNSSMCTSA-N 405.568 1.449 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722487637 VAZNDMCCDBYLBM-GOSISDBHSA-N 417.311 1.889 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1722643831 CNSXPMBZEXDFCR-UHFFFAOYSA-N 416.570 1.904 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1722745469 ATPDQNQRVJQCPN-UHFFFAOYSA-N 419.493 1.441 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CCCS(C)(=O)=O)n1 1726033177 FGUJJTQBXJTWQL-UHFFFAOYSA-N 405.528 1.314 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C#N)o1 1729071794 WUGJJEHERJIBAR-UHFFFAOYSA-N 418.461 1.921 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@H](O)C1 1730758528 BKHXCDSBXYTKIE-IRXDYDNUSA-N 404.515 1.432 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC[C@@H]2COCCO2)c1 1731180794 LSGMAZNIXYQQIU-QGZVFWFLSA-N 401.492 1.191 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2CCCO)CCO1 1731188381 FOLDKBGCERBJOJ-SJORKVTESA-N 414.485 1.660 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1731188383 JDZKCJDMNROJQJ-IAGOWNOFSA-N 405.524 1.655 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624895 MNMAITFGNNJIJC-UKPHBRMFSA-N 419.576 1.917 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CCC)CC1 1740697358 BHXKHSJFOQRMHI-UHFFFAOYSA-N 416.551 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nc(C)cs2)CC1 1740704287 LCSDEBZBXZDXSJ-UHFFFAOYSA-N 424.534 1.458 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748731171 WFFGDVLTNDCKJE-QFIPXVFZSA-N 415.538 1.933 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)NS(C)(=O)=O 1749141360 YSZCCSVBOFPNHF-NFAWXSAZSA-N 409.516 1.347 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)CC1 1749298876 VTOXWDNENKBCOX-GOSISDBHSA-N 408.506 1.745 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)CC1 1749391997 XCUIYRSLKYQLOE-MRXNPFEDSA-N 410.588 1.919 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C1CCCCC1 1749738377 LFNUISCZPHJJRV-UHFFFAOYSA-N 409.556 1.770 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1760175896 UQTLYUPHDHYDRD-UHFFFAOYSA-N 410.526 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1760249200 WVNWXWAACWGFHJ-IRXDYDNUSA-N 410.540 1.431 30 10 HDEE C#CCSCCn1c(N(C)Cc2cnn(C)c2)nnc1[C@@]1(OCC)CCOC1 1760286196 FBBHKQXCQSDCLM-LJQANCHMSA-N 404.540 1.667 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1760373790 BUYRGUCZFRXDNB-ZIAGYGMSSA-N 411.919 1.366 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1760461677 CPNPKDKUTIITPQ-JYJNAYRXSA-N 416.505 1.198 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1)C1CC1 1760470918 HDTNPZIEVUKQAQ-UTKZUKDTSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1760523300 SSSPHQVASPRMEP-IBGZPJMESA-N 421.505 1.906 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1761292013 RYAINBNGISLGBA-YLJYHZDGSA-N 406.531 1.388 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761369243 OBEYJVMAPAIILW-BQOWYSNXSA-N 415.498 1.162 30 10 HDEE Cc1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1762394810 GIRDCVKMRFMGIR-QGZVFWFLSA-N 408.422 1.672 30 10 HDEE CCC[C@](C)(O)Cn1c(COCC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765467981 BWLGVYNMMVCANT-NRFANRHFSA-N 413.526 1.959 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1767424229 RBPSEGKCMPTKJX-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 1767481908 FDGSSBUTRGIFRY-DBXWQHBBSA-N 420.558 1.635 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1771365579 BPDKMBZVXZFYGO-SJORKVTESA-N 400.508 1.745 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cccc(C#N)c2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1848898787 SJKHIEJRFSWVJS-HNNXBMFYSA-N 424.482 1.440 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)[C@H]1CCN(C)C1=O 1849198131 QLPILZRPMQOSBR-HOTGVXAUSA-N 409.483 1.224 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1850854142 HWYWWUJNGIIIDY-KRWDZBQOSA-N 410.927 1.551 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1 1851224602 QPMKCDMGZCTOIC-UHFFFAOYSA-N 412.515 1.868 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C(=O)C2)C1 1853611270 PAROEVKBHZZJIU-VQIMIIECSA-N 414.481 1.110 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2csc3c2CCOC3)C1=O 1854226943 SPYPGXCCJVDWON-HZPDHXFCSA-N 403.504 1.281 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)C1 1855563386 RTTKKXKILNDBBB-HNNXBMFYSA-N 401.463 1.304 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855574068 KRTJABLFJBWFMA-SJORKVTESA-N 416.547 1.691 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](C3CCN(C4C(=O)CCCC4=O)CC3)CC2=O)ccn1 1855817756 ABMPNGCRXARZPP-INIZCTEOSA-N 408.458 1.345 30 10 HDEE Cc1ccc(C)c(OCC(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1855976585 GYTHSGPXMWQPJV-UHFFFAOYSA-N 413.455 1.915 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CC[C@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1856007918 WMWWUPXBMIFSTA-YJBOKZPZSA-N 403.504 1.507 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCC3)C2=O)cc1C#N 1856442755 FLCTZDOYAGKZGG-UHFFFAOYSA-N 401.488 1.956 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)CC4CC(=O)C4)C3=O)CC2)n1 1856972657 XCLSEQQEBYOTBG-LJQANCHMSA-N 410.474 1.541 30 10 HDEE Cn1ccc(C(=O)N2CC[C@H](N3CCC(COc4cc(C#N)ccn4)CC3)C2=O)n1 1857010062 IGDBTGKORNDMLI-SFHVURJKSA-N 408.462 1.219 30 10 HDEE COc1ccc(CC(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857111731 IYBXVMJVSSCDRU-IBGZPJMESA-N 406.442 1.395 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858336622 UXERINFRCQKLKD-OAHLLOKOSA-N 421.500 1.308 30 10 HDEE COc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)c2cccc(C#N)c2)cc1 1869955696 VPEFALOIWNFOGE-UHFFFAOYSA-N 422.445 1.191 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 1889975106 XIHODHMTOUPPPB-MRXNPFEDSA-N 421.505 1.865 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1890872352 MBMCUYIHOXDAEZ-QUCCMNQESA-N 403.548 1.786 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)cc1 1892112926 WMBURRPUSXPERU-KRWDZBQOSA-N 421.526 1.989 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1C 1965341012 KQSFEXAKZPIGAN-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE C#CCNC(=O)CNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1987983558 PHIMIEAZEICVIB-JOCHJYFZSA-N 414.506 1.021 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2C#N)[C@H]2CS(=O)(=O)C[C@H]21 2162863299 QINLBPFSNVOLNS-NWDGAFQWSA-N 413.887 1.224 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H]1NC(=O)OC(C)(C)C 2174787434 UCVQTSIAJBFMRL-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1(C)C 2184351895 HXFWPJXTVLSXIZ-SOUVJXGZSA-N 400.545 1.996 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221673537 BSFFFBNACRWEEE-LSDHHAIUSA-N 411.296 1.995 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247859880 YGYKBRYNCWDRQY-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247914245 IDKQXZPOFCAEDX-STQMWFEESA-N 422.335 1.751 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)co2)OC1(C)C 2249491679 VDUWDCWFGYMVFD-UHFFFAOYSA-N 416.205 1.862 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267370445 MBPFQTNQOURHPX-VKTRGTBVSA-N 408.376 1.181 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@](C)(O)[C@H](O)C3)c2Cl)OC1(C)C 2281937139 WDVIFLYFXCZTPU-PIGZYNQJSA-N 401.721 1.659 30 10 HDEE Cc1sc(C(=O)NC[C@H](C)S(N)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281940312 NYGYBKIRXIHFTQ-VIFPVBQESA-N 402.347 1.071 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCN(CCO)CC3)sc2Cl)OC1(C)C 2281967329 XBYSHTDABJJXDK-UHFFFAOYSA-N 400.737 1.451 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H](S(C)(=O)=O)C3)ns2)OC1(C)C 2282011688 LTSNYLNOBQBTEE-LLVKDONJSA-N 400.331 1.092 30 10 HDEE COC[C@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282338422 RHSCXHASUNPZAL-ZDUSSCGKSA-N 405.347 1.377 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(C)CCCS1 2282344323 BCDKOBSUAMEDHC-MRXNPFEDSA-N 401.363 1.283 30 10 HDEE C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491104 LZHZOGVBJQJINY-STQMWFEESA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H]2C(N)=O)OC1(C)C 2282500601 ZGTHTUREFCCLHQ-GFCCVEGCSA-N 400.331 1.076 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCc3cnsn3)ccc2Cl)OC1(C)C 2282504202 LKQWGVNVHMCGAC-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282505403 CUSXISDLROGKED-AWEZNQCLSA-N 403.737 1.934 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCCNC2)OC1(C)C 2282506678 VYVKRXAHKGPTDL-GFCCVEGCSA-N 401.363 1.004 30 10 HDEE C[C@H]1NCCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506731 WRJRGLPVUNRDDD-NEPJUHHUSA-N 401.363 1.002 30 10 HDEE Cc1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282602069 NQCQOALYKOCARL-NSHDSACASA-N 401.359 1.861 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@]3(O)CCCOC3)c2Cl)OC1(C)C 2282642344 MDHINWUWNDBVTL-QGZVFWFLSA-N 401.721 1.972 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C(C)(C)C2(F)F)OC1(C)C 2282830282 RGBNHUUGOWYZAN-NSHDSACASA-N 408.301 1.905 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282846261 HIZALQRTMKDJKB-STQMWFEESA-N 401.359 1.892 30 10 HDEE C[C@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848978 VDFIKBJUUFVLTP-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE CN1CC[C@@](C)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856176 OOBHPZVGITUIOJ-KRWDZBQOSA-N 400.375 1.667 30 10 HDEE C[C@H]1CNC(C)(C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866668 NFHZBLSMAQKIRX-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE COC(=O)C1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2283584066 SKDSTPIKPJKYMS-UHFFFAOYSA-N 401.315 1.172 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284414901 URYSFTWYAQBACE-UHFFFAOYSA-N 401.315 1.699 30 10 HDEE CN(C)[S@](=O)(=NCc1csc(C#N)n1)N1CCN(C(=O)OC(C)(C)C)CC1 2286711778 DDQJESXMEFNWJT-HHHXNRCGSA-N 414.557 1.927 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288911644 LXBZGSRVIDLPQB-CHWSQXEVSA-N 402.347 1.117 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2cccnc2)C1=C(O)c1ccncc1 2296623255 WKZWWRODKCKGHT-LJQANCHMSA-N 408.458 1.621 30 10 HDEE C=CC[C@H](N)[C@H]1CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2314268077 UUXVIDHEYYLBCM-FCEWJHQRSA-N 409.483 1.318 30 10 HDEE CCSc1nnc(CNC(C)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330747585 JRGRVMLERBYMAK-UHFFFAOYSA-N 406.424 1.588 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338222300 WDOXMLSTMQWIGX-KBPBESRZSA-N 401.554 1.801 30 10 HDEE CC1(C)COC[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2361159673 ZZXPNZPCBLHGEH-LBPRGKRZSA-N 401.359 1.998 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CCC[C@H]2CS(N)(=O)=O)OC1(C)C 2364899491 FFPDQTCUSOOEHL-LBPRGKRZSA-N 401.725 1.292 30 10 HDEE CN(C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C)C(=O)OC(C)(C)C 2365170430 PKNPPTIPGWOVLF-KUHUBIRLSA-N 404.573 1.784 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2365196450 MEKGRICOXKZVSF-HRCADAONSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2367790345 GXBWTBBMTAVSPP-CVEARBPZSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367791444 YLZLIEHEEPVSLT-CABCVRRESA-N 400.541 1.699 30 10 HDEE COC1([C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367791919 ZZQRHCFXFIYTHD-LSDHHAIUSA-N 400.541 1.747 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367804245 RETXDJHBIQVVKQ-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367810398 XGTQYVHBAKIIQY-QLFBSQMISA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367813213 AYARCIIFPSNWAG-BEFAXECRSA-N 400.541 1.437 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825723 RPCWOIQUSPPDEK-AUUYWEPGSA-N 400.541 1.292 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2ccc(F)cc2I)CC1 2367841514 BRZJJJFMBDNAKQ-LBPRGKRZSA-N 408.236 1.515 30 10 HDEE C[C@@H]1CC(CN)(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C)S1(=O)=O 2380705484 QPBWAIWGHCLRPN-RBSFLKMASA-N 400.545 1.114 30 10 HDEE C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 23516254 BQRAROWVDUBJJX-RYUDHWBXSA-N 409.537 1.778 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C)C(=O)Nc1cccc(C#N)c1 24843543 HHUKXUHRQNMOFM-QWHCGFSZSA-N 419.434 1.935 30 10 HDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 44360568 CCJMBHICZSHQLL-CMTMBAJVSA-N 410.477 1.648 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 53310494 FMBSTMAYKRJOCD-GOSISDBHSA-N 413.522 1.377 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N(CC)CC)CC2)c1 58501576 QLEFYXYHDQDJHO-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 97472691 GADJJLWGICWUBF-UHFFFAOYSA-N 412.538 1.181 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n(CCC#N)n1 109010968 FSQWXPFMCWWJBE-OAHLLOKOSA-N 420.495 1.749 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 254871525 ZTSBKYPYOTZJOB-VXGBXAGGSA-N 404.416 1.431 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NC[C@H]3CCCO3)nc(O)c2[C@H]1c1ccc2c(c1)OCCO2 256031721 HKUVCDLCUCLOCY-WWGRRREGSA-N 423.429 1.768 30 10 HDEE CC(C)(C)OC(=O)N(c1ccc(B2OC(C)(C)C(C)(C)O2)c(C#N)n1)C1CNC1 382079013 VGVLUZXBLVEDJT-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]2C 440156262 CYWUKGGXRFDFSP-KBPBESRZSA-N 416.507 1.543 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]2C 440156265 CYWUKGGXRFDFSP-UONOGXRCSA-N 416.507 1.543 30 10 HDEE COC(=O)c1cc(C(C)(C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)no1 464661286 FXDVNRBXNCIHDZ-UHFFFAOYSA-N 405.432 1.299 30 10 HDEE C=CCCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 468388837 WLCGUSDKAFWECW-UHFFFAOYSA-N 420.535 1.609 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)C(=O)N[C@@H]1CC(=O)N(C3CC3)[C@H]1c1cccnc1)CC2 505710217 CYRCNCJAFDIOMX-NQIIRXRSSA-N 415.453 1.463 30 10 HDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508933494 YLJPEPHAMBDFOA-UHFFFAOYSA-N 414.510 1.322 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC2)c1C 509587494 MFSIZOARCBCWCF-CQSZACIVSA-N 411.528 1.732 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cc3ccccn3n2)CC1 548763831 YDILPFQMACAGCO-UHFFFAOYSA-N 410.459 1.744 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC)CC1 549093356 YHCWBXNBQYCVPL-UHFFFAOYSA-N 420.521 1.779 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(C(=O)COC)CC1 549263092 BRSLQPQFYWUHPV-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccc2)CC1 555243091 GGLXQTVBPCNONN-INIZCTEOSA-N 404.540 1.791 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 555255490 GRGCMSWUXGGEOY-INIZCTEOSA-N 404.515 1.068 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(OC(F)F)c1 560121693 WRLWLHCMGFIDPC-GFCCVEGCSA-N 403.393 1.765 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 584279458 HCBYRYXWFODGAP-MRXNPFEDSA-N 409.512 1.725 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)CCO1 585710593 LNZRSCYOBJWBSA-CQSZACIVSA-N 411.437 1.250 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)c2ccc(OC)c(OC)c2)CC1 604193898 FDXXUROBEYHJPG-UHFFFAOYSA-N 418.538 1.611 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](Cc2nccn2C)c2ccccc2)CC1 608726159 AVWBFEHFSUKVEJ-LJQANCHMSA-N 410.522 1.333 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@@H](C)C1 615326076 GPBDQPIZLSZJCG-AWEZNQCLSA-N 407.430 1.763 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cscn2)C1=O 726400845 MGSZICNMDVEMPH-ZDUSSCGKSA-N 403.489 1.510 30 10 HDEE C=CCNC(=O)CN1CCN(C(=S)NCc2cccc(C(F)(F)F)c2)CC1 726451613 OVOPLCLXNSOMAT-UHFFFAOYSA-N 400.470 2.000 30 10 HDEE C#CCN(C(=O)c1sc2nc(COC)nc(OC)c2c1C)[C@H]1CCS(=O)(=O)C1 729332734 WMRKNXFXUKQCER-LBPRGKRZSA-N 423.516 1.417 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CC(=O)NC2=O)n(C2CCCC2)c1C 732357558 PPLKOVUATZFOGT-UHFFFAOYSA-N 401.423 1.125 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC(C)(C)C 732650978 OVNGFFQTFGEDEQ-MRXNPFEDSA-N 420.535 1.584 30 10 HDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1)C(=O)OCC 734027107 SIZLFSBPCHFMED-UHFFFAOYSA-N 423.487 1.952 30 10 HDEE C#CCN(C(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1 735040524 QAKGZZGUJMEBHB-IGDKPHCXSA-N 406.548 1.358 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(O)Cc3ccccc3C2)ccc1F 737983709 FONXXPIQPJWFOC-UHFFFAOYSA-N 404.463 1.550 30 10 HDEE Cc1cc(C)c(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(O)n1 742492551 JQIQJVNXFKCUSU-ZDUSSCGKSA-N 402.476 1.538 30 10 HDEE C[C@@H](OC(=O)CN1C(=O)NC(=O)C1(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 745050974 RSQDVQVNLONDAQ-SECBINFHSA-N 404.448 1.309 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(C(=O)NCc2ccco2)c1 746132907 CKOCBSVGDXKOSU-XDOYNYLZSA-N 422.441 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 746192803 AXYGIMYYZLPVQG-DNZUHHBVSA-N 406.483 1.666 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 751273035 DVMVYDIMZIJQRL-AWEZNQCLSA-N 403.909 1.153 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 767698507 HQEALQGVTZNNOL-MRXNPFEDSA-N 424.519 1.469 30 10 HDEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)s1 772909791 KLOUDDPGRPGVCH-UHFFFAOYSA-N 416.572 1.927 30 10 HDEE C#CCN(C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152108 FMUOSSMBHUGHGT-SJORKVTESA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 779374752 DXIUNITUVAFISF-DZGCQCFKSA-N 413.902 1.890 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3ccccc3C)CC2)n1 789322840 DBJRMRQTNPXIOX-UHFFFAOYSA-N 423.561 1.618 30 10 HDEE COC(=O)C[C@](C)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(F)c1 789890672 SWESRSGFDASYDR-PKTISDMASA-N 403.410 1.637 30 10 HDEE COc1ccc(C[C@@](C)(O)CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1OC 793906008 GZILOOVWBAGUGW-KEDKVEHMSA-N 417.462 1.030 30 10 HDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 794893713 ALPIMQUMJBVSFV-KRWDZBQOSA-N 405.407 1.893 30 10 HDEE C#CC[C@@H](Cc1ccccc1)N[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 795334228 QZPMBSCILXHHIS-PXNSSMCTSA-N 413.543 1.605 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)OCc2cccnc2C#N)cc1OC 813165298 ZTWYGXKSIYKJAG-UHFFFAOYSA-N 405.432 1.382 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3sccc3C#N)CC2)cc1 815431596 DGFFNQHKCSBRCL-UHFFFAOYSA-N 413.503 1.505 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3cccc(OCc4cccc(C#N)c4)c3)C[C@H]21 815706412 HFVRKSATCJUOKN-PMOLBWCYSA-N 419.437 1.953 30 10 HDEE COc1cc(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)cc(OC)c1O 849086882 DKGDNWBWEBUUAL-AWEZNQCLSA-N 406.483 1.790 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cc2)c(=O)n1C[C@@H]1CCCO1 916197709 ZOIRKARRCOCBJL-HNNXBMFYSA-N 416.300 1.878 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3nn4c(c3Br)CCC4)CC2)c1C#N 1128031691 YVCYWOALYNDARW-UHFFFAOYSA-N 418.299 1.468 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@H](C)O1 1134429279 WGBGINTWZUCVFE-MZRZTIOWSA-N 403.504 1.311 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CN1CCCC1)c1ccccc1)c1cc[nH]n1 1135613566 VREHEDVTVVKRFJ-GOSISDBHSA-N 413.478 1.647 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1 1136704387 UUOJWKLGBCCDNC-HZPDHXFCSA-N 405.296 1.684 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)c1N 1140312346 ASDHZDZTGUNWLG-AWEZNQCLSA-N 401.430 1.708 30 10 HDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1142085996 NWKZYESQCWGKPQ-QHCPKHFHSA-N 403.486 1.693 30 10 HDEE C=CC1(CC(=O)N2CCN(CCc3cnccn3)CC2)CN(C(=O)OC(C)(C)C)C1 1152782021 IKKXUZHHOKAPNK-UHFFFAOYSA-N 415.538 1.977 30 10 HDEE C=CCC1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCOCC1 1154707822 GULFUHJRTHEAQJ-UHFFFAOYSA-N 413.462 1.337 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1156672024 CESCOBGWUZGKSP-FGTMMUONSA-N 413.584 1.062 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1157911497 XMFRHMLJHVNNSZ-AWEZNQCLSA-N 410.562 1.074 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1165588545 WCNMNWZRKWIRSP-CYBMUJFWSA-N 412.471 1.492 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)C(=O)C1 1169475526 ZDRZQSMDPHCBIH-SJORKVTESA-N 406.527 1.585 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NC)ccc2Br)C1 1177753981 AHQFIJPPPBORIF-GFCCVEGCSA-N 414.325 1.185 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)cc1 1190445440 DTMKWANLWPLOIS-UHFFFAOYSA-N 408.501 1.097 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCOc2cccc(C#N)c2)C1 1196631779 JWMFDLKSKNSYHN-UHFFFAOYSA-N 400.479 1.748 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Br)nc1F 1212415508 GJJRIAIZJANWGZ-UHFFFAOYSA-N 407.261 1.949 30 10 HDEE C#CC[C@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1253301446 LJRGMZMGRMLUPK-QGZVFWFLSA-N 424.542 1.308 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1261222294 DDNGCDJASFPXHY-PJJVALNESA-N 401.438 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1286291696 FDJBIVWZGRKTMZ-QFBILLFUSA-N 403.490 1.980 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286408156 DZUXJYACXUJJDD-GOSISDBHSA-N 406.490 1.216 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC=C)cc1 1286409299 JYROGDMYKVZXPB-LJQANCHMSA-N 424.526 1.866 30 10 HDEE C#CCN(CC)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286446258 GQYXPRAINWROHQ-UHFFFAOYSA-N 410.522 1.590 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1286611563 LJRISWQMGOUJEX-CQSZACIVSA-N 404.540 1.893 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1286683767 ZYHLBCLXWKNTRF-CQSZACIVSA-N 412.560 1.350 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)C(C)(C)C 1286773893 VEXFTMRSIQKTKN-OAHLLOKOSA-N 400.545 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(C)C)C1 1286785787 IRMRFWICITYNQQ-CQSZACIVSA-N 400.483 1.790 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1286786708 XTEKVZHOEUUALG-UHFFFAOYSA-N 418.439 1.870 30 10 HDEE Cc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1290697479 AYNQNCKHEXYUKR-CXAGYDPISA-N 421.552 1.519 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC[C@@H](C)C1 1293113395 HICDCGQZDRGKNJ-QZTJIDSGSA-N 423.569 1.949 30 10 HDEE CC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293519920 PMKXLCOFSCQEQY-HYEKCJMVSA-N 402.499 1.717 30 10 HDEE CCn1cnnc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1295968448 HIPXFEHAIYKHFI-RTBURBONSA-N 418.477 1.420 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2n[nH]c(C)n2)CCOC1 1296597348 FEAMOSJPHGYAAZ-FQEVSTJZSA-N 414.514 1.730 30 10 HDEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1297826386 DVJQSYGEMDVORB-KPOHSRMJSA-N 409.556 1.901 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(O)C1=O 1298541911 OFRLECSJYLUCFD-IRXDYDNUSA-N 420.510 1.508 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCCC2=O)CC1 1299235345 CGTOLLGXICXEBB-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CSc2ccccc2O1 1299899900 JYBPCDDNXVNLAI-UKRRQHHQSA-N 417.512 1.895 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1300266781 BEEDUCUPTWMVQK-JXFKEZNVSA-N 420.583 1.082 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@@H]1C 1300314204 CJAPTJFWLMATOL-ROUUACIJSA-N 407.522 1.695 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1300498149 HSNIMFJHESNIGD-DLBZAZTESA-N 400.504 1.471 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1300625714 KNZGUSPMCYRPBW-SFHVURJKSA-N 406.527 1.844 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@](C)(O)c1cc(C)oc1C 1300663682 CYZGGUNGKWYCPW-OAQYLSRUSA-N 412.494 1.882 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(O)CCCCCC2)CC1 1300697715 IKBYTFFZEZBCFX-KRWDZBQOSA-N 400.527 1.070 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CC23CCOCC3)CC1 1301066997 VPFZLSIMWZTBPZ-CVEARBPZSA-N 409.556 1.861 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1301384290 TYBUEZRCGGMYIK-UHFFFAOYSA-N 401.467 1.726 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ncn(C)n1 1301413291 RKQFQZCNXGGQBS-UHFFFAOYSA-N 424.509 1.963 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC[C@H](C)C1 1301422664 SIOLBRDSXKQSTI-KSZLIROESA-N 404.559 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCSC(C)(C)C1 1301579189 PLWJNWIOYSDLBJ-UHFFFAOYSA-N 408.553 1.668 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301606966 ZUURLCBTNUFJAD-HNNXBMFYSA-N 415.523 1.665 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN(C(C)C)C1 1302099277 UECPQCXXNPUUPL-QYZOEREBSA-N 420.558 1.851 30 10 HDEE CSCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1302754082 CSACFFQOKXSBNX-ZDUSSCGKSA-N 400.574 1.771 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 1309619386 CRXOBZONSPIMPA-AWEZNQCLSA-N 400.522 1.881 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1314991343 GWPYMPXABIFCCT-GOSISDBHSA-N 412.494 1.178 30 10 HDEE C[C@@H](C(=O)Nc1ccc(OCC#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1348652323 PNTJBMLYMCWUHL-AWEZNQCLSA-N 402.451 1.995 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(CN2CCCCC2=O)cc1 1352234556 HIANBHRICOKNIG-UHFFFAOYSA-N 408.462 1.883 30 10 HDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1358925546 JHASPMBATSQUGN-UHFFFAOYSA-N 410.497 1.898 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1358941581 PRPKWRIZBRMFDB-LHSJRXKWSA-N 416.478 1.580 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358955137 FOGGREONDOPKJD-QGZVFWFLSA-N 405.568 1.464 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358961985 IAYLBCGGTMPAHT-NVXWUHKLSA-N 404.492 1.788 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)N(C)C 1359023840 YFNZUDATRIGXIF-IAGOWNOFSA-N 416.551 1.680 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C)cc(OC)c2)CC1 1359035094 KRUVFASECFESNH-LJQANCHMSA-N 408.506 1.350 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)C1 1359320214 NMVCORRDJFGZRT-HZPDHXFCSA-N 416.526 1.317 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1360475968 GCGZPXSCLKOCBZ-GJZGRUSLSA-N 410.544 1.540 30 10 HDEE CC(F)(F)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360627711 NPFORCQXEQFGHM-AWEZNQCLSA-N 417.420 1.809 30 10 HDEE N#C[C@]1(F)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1435904395 MGVOEERKLGOKCP-QGZVFWFLSA-N 407.243 1.984 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2sccc2Br)C1=O 1438891657 VNKUNWPHTCVPOB-UHFFFAOYSA-N 400.254 1.146 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1453341754 BOWCBALZUOJVSR-RHSMWYFYSA-N 414.549 1.620 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1nnc2c(=O)[nH]ccn12 1455734667 BOFKNGZQEVFGSG-UHFFFAOYSA-N 407.352 1.974 30 10 HDEE CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1456227961 ZMRVKWFEONOBNX-KYNGSXCRSA-N 411.524 1.420 30 10 HDEE N#Cc1cc(N2CCOC3(CCS(=O)(=O)CC3)C2)nc2ccc([N+](=O)[O-])cc12 1458703734 APJXLDKWDMOTHG-UHFFFAOYSA-N 402.432 1.799 30 10 HDEE Cn1c(N2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1458733916 UBPBWBQKAVSLMD-SPLOXXLWSA-N 417.510 1.477 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)s1 1467914325 AICBVUMBPPFBBK-CABCVRRESA-N 400.522 1.161 30 10 HDEE C#CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CSC1 1469995318 BDXUXHVONSPKKR-UHFFFAOYSA-N 403.529 1.425 30 10 HDEE C[C@H](CC(=O)N1Cc2c[nH]nc2CC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1470598628 IUZADZOOKROIGL-CYBMUJFWSA-N 415.519 1.838 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCOCCCNC(=O)OC(C)(C)C)CC1 1471015190 ONLVKBANVZWVMJ-UHFFFAOYSA-N 410.515 1.089 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(CC(=O)NCc4cccnc4)CC3)n[nH]2)cc1 1473620820 BXBSVMLVPOEPGU-UHFFFAOYSA-N 401.474 1.782 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)cc1 1478671987 QKXZPQGFNPQANK-UHFFFAOYSA-N 406.552 1.862 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)c1occc1C 1503117676 JYSPTHPMFUGOSY-HNNXBMFYSA-N 402.455 1.265 30 10 HDEE COCCCn1c(-c2cnccn2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1504825098 XCZHBCLILDSRRP-UHFFFAOYSA-N 418.505 1.965 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 1505151803 GDWWDBUTAXXTIU-HYDGNGQDSA-N 412.519 1.430 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507579535 ZKQUJHXOALYGQN-DYESRHJHSA-N 416.526 1.901 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cn3ccsc3n2)n1 1507716650 MTGDURJXHMRMOL-UHFFFAOYSA-N 410.507 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507722088 YSVGPDSEMCVIFI-QRWLVFNGSA-N 416.913 1.289 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2CCCCO2)CC1 1507726783 LVUQUKCKPPGEJV-GOSISDBHSA-N 400.527 1.115 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507752990 BLAVLHLOLQWVEJ-IRXDYDNUSA-N 407.540 1.227 30 10 HDEE C#CCSCCn1c(N2CCN(C3CCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1507758832 UIEZTKHNZDNZRP-OAQYLSRUSA-N 419.595 1.971 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](OC)C1 1507935272 OMAORYCJOIDPKT-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1508148367 SGAVMAMZENUQHQ-KRWDZBQOSA-N 422.599 1.590 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)CC1 1515900462 DVXBOSVNOVNDPT-UWJYYQICSA-N 414.533 1.752 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1519534067 RDSJJZBGQQAJFX-UHFFFAOYSA-N 418.523 1.920 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1520582719 GMCQTWLSLZAONL-XJKSGUPXSA-N 413.293 1.787 30 10 HDEE N#Cc1ncn(CCNC(=O)c2c(F)ccc(I)c2Cl)n1 1520763914 IZSMMKSXXVGPQI-UHFFFAOYSA-N 419.585 1.977 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CCO1 1521122784 ZGGDXBWFRWQZLZ-NEPJUHHUSA-N 420.271 1.043 30 10 HDEE COc1cc(OC)cc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCCC2)c1 1536180792 XXMWYSOAFDWCDI-JXFKEZNVSA-N 418.515 1.912 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H](OC3CCOCC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1538308334 ARQFZPPMNRBKGA-HQRMLTQVSA-N 404.488 1.320 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC(=O)NC)CC1 1539089262 KNUMOBIRRWIMGB-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C#CCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1539140146 MWLXEWVWJDIHEW-OXJNMPFZSA-N 416.482 1.613 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539210692 FVBUIXPVUMFZDO-CVEARBPZSA-N 403.508 1.392 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539216787 XHECCIDKEULDDB-KSZLIROESA-N 404.536 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1NC(=O)CC1(C)C 1539273119 LETUYAADNVFASC-LJQANCHMSA-N 405.502 1.887 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnn(C)n1 1539395736 IHHSFJYXNBJQIU-CQSZACIVSA-N 414.445 1.215 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1539430670 KSHFXWFLZZJKIF-JOCHJYFZSA-N 422.577 1.772 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCNC(=O)c2ccc(C)c(F)c2)CC1 1539446360 XFBGLPUMMMKLAA-UHFFFAOYSA-N 410.497 1.788 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1539491744 UMYJKFMIBLAHHC-HNNXBMFYSA-N 406.556 1.278 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1539578950 FZACRJZDFDCPMK-GHMZBOCLSA-N 408.322 1.022 30 10 HDEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1540064153 MECWJIMCQVDCAS-LJQANCHMSA-N 401.492 1.598 30 10 HDEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1540109554 ZWAOLDRKKXUHNR-MRXNPFEDSA-N 417.535 1.827 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](OC)C1 1540903824 HIKYVKZVXFJOQM-KRWDZBQOSA-N 408.499 1.834 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1541994206 OYZIDLXHGXUIKM-HZPDHXFCSA-N 422.555 1.541 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1555174024 BAAKXTUQPCQGJE-GWOGKKTRSA-N 414.510 1.933 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1555556341 CMOBULNEECGZPP-UWJYYQICSA-N 414.510 1.988 30 10 HDEE C#Cc1cccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1 1557022827 ZXADUIJPSRLGKC-UHFFFAOYSA-N 411.527 1.599 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nnc3ccc(Cl)cn23)c1 1557595430 UNDRUEODEJYRSZ-UHFFFAOYSA-N 403.851 1.224 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN([S@@](C)(=N)=O)CC2)nnc1-c1ccco1 1558236650 HOMIJLDQAILXJH-MUUNZHRXSA-N 424.552 1.942 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3OC)CC2)c1 1561580284 BMYATSHPCZKNST-UHFFFAOYSA-N 418.475 1.966 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)OCC 1561876526 UJXLSIYIUPIWCS-CYBMUJFWSA-N 404.510 1.823 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1561929260 MPFJSVBHGLNNAF-INIZCTEOSA-N 414.911 1.982 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CCN2C1=O 1566237381 AHXMLGSBHKCHCJ-INIZCTEOSA-N 418.494 1.132 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1568251816 BZZKLDCYAWJUBY-RCBQFDQVSA-N 402.900 1.077 30 10 HDEE CN(CCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1583262158 LWDOPKBUANQZDG-UHFFFAOYSA-N 418.563 1.950 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O 1583497779 LXGDEEJDHAJSPT-ZDUSSCGKSA-N 407.434 1.639 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C[C@H](C)N(C)C)c2c(C)cccc2C)C1=O 1584573487 KKNOCGLUSJRHSJ-INIZCTEOSA-N 400.479 1.563 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOCC1(C)C 1587683438 JTRMAFKOUXRDKZ-SQNIBIBYSA-N 405.543 1.571 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1CC=CCO1 1587931925 GBGYTYGIHNWIGH-QGZVFWFLSA-N 415.519 1.610 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587985196 VMADTHSTDHOUHF-PKOBYXMFSA-N 410.522 1.910 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC(=O)NC1CC1 1588138217 AHQSNHANJASDRJ-FQEVSTJZSA-N 419.485 1.922 30 10 HDEE C[C@H](Sc1ncccc1C(=O)N1CCN(C(=O)CC#N)CC1)C(=O)N1CCCC1 1588263754 XFEODYMJNCDAAG-HNNXBMFYSA-N 415.519 1.383 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C)C1CC1 1595020792 NXKQLANCGZSKJH-CYBMUJFWSA-N 407.544 1.442 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1C(C)(C)C 1595831772 VWUFUZUOHQGAPY-INIZCTEOSA-N 422.555 1.278 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1596429444 DSHYSCJDPLLXHC-SFHVURJKSA-N 419.493 1.591 30 10 HDEE CC(C)(C)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1596919938 ZXOOGGPHGXMKPH-HNNXBMFYSA-N 412.494 1.990 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF 1611664128 XRBREPQEUBJEEK-UHOFOFEASA-N 406.487 1.927 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)cn1 1617665389 FZBVNNXTOAZNCY-KRWDZBQOSA-N 408.510 1.869 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)C(=O)OC 1617949493 FHLDBIRCKMNWBN-FGSXEWAUSA-N 416.474 1.896 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2)C(=O)OC 1617949496 FHLDBIRCKMNWBN-SPEDKVCISA-N 416.474 1.896 30 10 HDEE CN(CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1618225377 DMZBSQSTYQRELI-RTBURBONSA-N 423.521 1.875 30 10 HDEE COC(=O)CCCCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1623954300 AHKSSEKOILYIHI-MRXNPFEDSA-N 400.435 1.613 30 10 HDEE N#Cc1ccc(CCNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1624077752 GGOJTPJZYFYABF-UHFFFAOYSA-N 415.475 1.338 30 10 HDEE N#C[C@]1(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCCOC1 1624826813 PAFGNMFDJHPZMO-DYESRHJHSA-N 401.463 1.297 30 10 HDEE CN1CCC[C@@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1626004603 TUHIXBXLOSSNKT-OXMAITBSSA-N 408.524 1.285 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1626046552 DAFAOCPRCNWKLR-HOTGVXAUSA-N 405.499 1.744 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1626160313 JLMVLEALOCBDJH-UHFFFAOYSA-N 401.529 1.083 30 10 HDEE C[C@@H]1[C@@H](C)N(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CN1C(=O)OC(C)(C)C 1627298757 BWXIEKUUSBFCNW-MGPQQGTHSA-N 419.482 1.455 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1628666724 JQYDIAKPJOJLEW-LJQANCHMSA-N 409.442 1.434 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1629637219 OSACBYCKOPQVJW-OAHLLOKOSA-N 411.499 1.609 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1629787849 ZPQNGNNVJYFVIB-INIZCTEOSA-N 417.466 1.945 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](Cc3ccccc3)C2)s1 1635175806 YNSOTMNBRHOEHF-QGZVFWFLSA-N 419.572 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1636464598 OZMGQGFCQZESCZ-IAFNSTAXSA-N 422.482 1.045 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(Br)cc2I)C1 1636818774 KZEHEDLNQXPNOE-UHFFFAOYSA-N 406.017 1.874 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3csc(Cc4ccccc4)n3)C2)c(=O)nc1O 1637505961 MAMXRWJMFZYDRB-UHFFFAOYSA-N 407.455 1.494 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)C2)nc1 1638910850 JZMHMJUDMRRWEA-MRXNPFEDSA-N 403.508 1.314 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3ccc(Br)cc3C#N)C2)cc1=O 1639531662 FMTNKCYBPUZGBX-LBPRGKRZSA-N 418.251 1.129 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)C(=O)OC 1642410375 BTMOWEUYWMUHHJ-LJQANCHMSA-N 414.483 1.768 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CCC2)cc1 1643797335 BMXKTVCXOYLGQU-GOSISDBHSA-N 408.433 1.867 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)C1 1644557919 GUMSHOATUVINNI-YCRPNKLZSA-N 405.495 1.488 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)NC[C@@H]2c2ccccc2)s1 1645167953 OYOGEDARYWVFOP-MRXNPFEDSA-N 419.528 1.455 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1646576303 OZXRCVMZWJIONW-FUHWJXTLSA-N 405.520 1.088 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1648291472 HTAAIRROCIZVLA-UHFFFAOYSA-N 402.501 1.865 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCN3CC)nnc12 1648994557 VAUZNFMVHNPHCM-AWEZNQCLSA-N 412.519 1.533 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cn2cnc(C#N)n2)CC2(CCOCC2)C1 1651625288 NFFXGENWMNWTEB-AWEZNQCLSA-N 404.471 1.072 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3ccc(F)cc3F)CC[C@H]2C)C1=O 1652610132 LGTKEMFSXSPDNQ-CYBMUJFWSA-N 420.416 1.369 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1)C(=O)OCC 1656400713 XDXNDTYTEIUKCP-ZDUSSCGKSA-N 405.856 1.834 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]2C)CC1 1659077928 SQVKEXPFSUDXEN-QRVBRYPASA-N 406.571 1.635 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2)[C@H]1CCS(=O)(=O)C1 1664181578 DFRIMBDROWNSPW-AWEZNQCLSA-N 405.476 1.698 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1670678443 GBVGBELYLGYXDL-HGKSCXNLSA-N 403.504 1.734 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1674143311 JZLPCUBHDLNSCE-KSSFIOAISA-N 405.451 1.701 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 1680667484 ZXUIKPBRVRZSDC-UHFFFAOYSA-N 419.547 1.672 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1681715457 DBFPJOBZMSKBIK-AWEZNQCLSA-N 417.890 1.629 30 10 HDEE C[S@](=N)(=O)N1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1686181230 DAVKDKLIUMKULI-BTSJHOHCSA-N 406.512 1.562 30 10 HDEE C#C[C@@H](NC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)C1CCOCC1 1687126753 VHGOTLHZEJSRBP-GOSISDBHSA-N 408.543 1.703 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1689851923 XQAAMDLLQKXPIW-JYJNAYRXSA-N 402.524 1.412 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCOC2)c1 1689870336 KTGLWGJNCXYDOG-FUHWJXTLSA-N 422.489 1.322 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1689907826 NAIJVMFIDJHOKZ-MRXNPFEDSA-N 402.543 1.961 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689936842 GGDAYNRNPZNROU-LJQANCHMSA-N 414.554 1.363 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnnn1C 1690089428 AQHQFBKMAUPDKC-KRWDZBQOSA-N 408.441 1.185 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690146825 XYOCHRNHJDCNDI-YTQUADARSA-N 415.538 1.420 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690155673 MLUUTSXRMNOOBK-SJORKVTESA-N 418.611 1.947 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(C)(=O)=O)CC1 1690412084 CLMIRHJSXOXXJU-UHFFFAOYSA-N 407.515 1.960 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1692662383 KUIOTBBYIMTFNP-QHRIQVFBSA-N 402.455 1.284 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1693555414 RBDWUOFAUKQVHS-OAHLLOKOSA-N 414.535 1.599 30 10 HDEE CS(=O)(=O)CCCn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1698303113 DGJRRNLFQWYMKT-UHFFFAOYSA-N 408.528 1.079 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705491805 IGCZAJYVPWVAKF-HOTGVXAUSA-N 419.526 1.924 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1705518896 TYGBDOMZJDORKV-UHFFFAOYSA-N 409.538 1.278 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1705549976 PCGUIKAIOMOHTD-UHFFFAOYSA-N 403.490 1.998 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1705582858 LASMURYTYAJVSA-QGZVFWFLSA-N 419.551 1.264 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1cnn(C)c1 1705699099 CHIANSRVENSCEU-LMMKCTJWSA-N 413.526 1.970 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705728990 HFTJQZMSSLNMPS-JWTNVVGKSA-N 403.527 1.704 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1705739465 HFFVLPSBWSIMAO-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1705768876 CEQMVUAMSHLION-IRXDYDNUSA-N 410.540 1.532 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(F)(F)F)CC1 1705901753 VQSGXYVSFYUHJX-GFCCVEGCSA-N 400.405 1.310 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)C1 1705924945 HYRSUVZXVPHBQO-IRXDYDNUSA-N 403.527 1.999 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCCCC1=O 1706611061 CVKBUTZJZUARKO-NRFANRHFSA-N 415.542 1.949 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1710170793 IHMMKMUIIDSXII-UHFFFAOYSA-N 419.507 1.125 30 10 HDEE CCOC1CC(O)(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)C1 1710605311 FMNKNPQKXVKPMA-JTOQLSFASA-N 401.515 1.666 30 10 HDEE COCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712394769 JVBRNGJXEGDHBN-JKSUJKDBSA-N 412.498 1.195 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722318315 BZVHOCGDCXTQSB-QGZVFWFLSA-N 409.556 1.351 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CC1 1722384465 WFNJHYMOIPWSLD-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCn1ccnn1 1722398244 ULNHCYUMHXDEES-UHFFFAOYSA-N 406.450 1.151 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1722452172 RTRRUOJOSWUADC-SFHVURJKSA-N 418.611 1.902 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C 1722517680 MONYPHUDFPDNSJ-INIZCTEOSA-N 415.560 1.438 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722557723 ZRFYNWKCLVKWFB-KBPBESRZSA-N 403.936 1.443 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)noc2C)CC1 1722574002 FMAFUAVOUCYWBY-ZDUSSCGKSA-N 408.528 1.944 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cnccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1728634830 GNNZIMJUUCFOJG-ZWKOTPCHSA-N 411.558 1.605 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730924749 YQARXKIAMNVTHQ-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1740548505 GWAPQZMDMATBGF-QFBILLFUSA-N 403.490 1.980 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1740641381 ILIBUABAANSRAG-XMSQKQJNSA-N 411.506 1.202 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1740660939 JUSPNYAMTFTWFP-IRXDYDNUSA-N 404.559 1.764 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)CC1 1740692792 NOMYECFWXYGNLW-UHFFFAOYSA-N 405.506 1.344 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1740751470 KOQSWUGZAWFUMP-FPCVCCKLSA-N 413.544 1.095 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740782218 HISKYUHYEAZJNJ-QGZVFWFLSA-N 416.526 1.019 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740858635 WNOUOHTWLPFKNH-IXDOHACOSA-N 410.588 1.918 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@H](C)C1 1740891036 PBIVIFGTJKKBOO-HZPDHXFCSA-N 414.576 1.011 30 10 HDEE C=CCN(c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1740909786 ZRVJACMYBZQYNF-UHFFFAOYSA-N 405.524 1.378 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1741798158 GEKJAPLRVVJEKD-HNNXBMFYSA-N 405.466 1.729 30 10 HDEE CCc1nnc(N2C[C@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744595560 UMTOIQAWILCOFC-AMGRQBIBSA-N 414.510 1.498 30 10 HDEE CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1746405372 HYRHORROVBORDS-MGPUTAFESA-N 412.473 1.852 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748814902 LEVLYRSWUVRCSN-FUHWJXTLSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1748847786 XCZIBLPZYPBZQR-SFHVURJKSA-N 407.474 1.381 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1749103891 GOMAPSDIZLBSBF-QWHCGFSZSA-N 419.345 1.704 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749187720 ZVXOMWPAZZQAGR-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749354786 ZEYNWKBGMGYXFN-IFXJQAMLSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1749664303 JSWINIUOLLBWBJ-CALCHBBNSA-N 401.467 1.106 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 1749689686 JAAOYHJROGKZTB-HZPDHXFCSA-N 410.478 1.154 30 10 HDEE Cc1c(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1C 1751375308 JDLUGPLTGMILES-VQTJNVASSA-N 417.489 1.851 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC(C)C)C(C)C 1760155076 PBYGTMMEGDWTRQ-KRWDZBQOSA-N 411.572 1.895 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCN1CCc2sccc2C1 1760247900 UVNWQIRZGFYGIU-UHFFFAOYSA-N 423.546 1.941 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)COC)CC1 1760261337 PEQRTRNZFFHKRU-MRXNPFEDSA-N 416.551 1.307 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC=CCC2)CC1 1760269048 WKXLALUPRYINPK-SJLPKXTDSA-N 410.522 1.551 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760287414 RFEWRVASIWVFIL-YLJYHZDGSA-N 416.551 1.982 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760371029 MUHUSYAHJYIOCC-UHFFFAOYSA-N 417.322 1.828 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)c2)CC1 1760396888 KFUCDJNVOWHUTD-HNNXBMFYSA-N 421.571 1.657 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCNC(=O)C2CC2)CC1 1760404124 UAQQCGNTVTZYEU-UHFFFAOYSA-N 409.494 1.854 30 10 HDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760437014 OJJGKNFJMBFSRB-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](S(C)(=O)=O)C2)no1 1761687403 BNZNTSNZPCFPDZ-KRWDZBQOSA-N 412.475 1.785 30 10 HDEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)n(C)n1 1762398509 HMBNIIQMCAVECE-ZDUSSCGKSA-N 412.523 1.956 30 10 HDEE CCc1nnc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)s1 1762826089 ROPJLJHYSSHDIP-PXAZEXFGSA-N 409.491 1.906 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1767574616 HBDQDZLHMGSMSU-HNNXBMFYSA-N 423.521 1.681 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@H]1C 1769086059 NPMNKCSMVJHTOI-RHSMWYFYSA-N 418.523 1.227 30 10 HDEE CO[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1(C)C 1770623267 KYCVEUZZMJWLFK-WFASDCNBSA-N 422.511 1.262 30 10 HDEE COCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1770989227 COQONUWEQFRZGO-KRWDZBQOSA-N 416.526 1.840 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CCN(C)CC1 1771410825 DOULHLRRNKCZSK-LSDHHAIUSA-N 405.572 1.795 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](CO)c1ccccc1I 1772665842 OITBNSCECVJHJC-MCIONIFRSA-N 402.232 1.967 30 10 HDEE CC(=O)N1CCN(CC(=O)N2CCCc3nc(C#N)cc(Br)c32)CC1 1848714923 JZIIMYCUDILCKC-UHFFFAOYSA-N 406.284 1.159 30 10 HDEE CN(CC(=O)N(C)C1CN(c2nccnc2C#N)C1)c1nc2c(F)cccc2s1 1849273865 CPEIEWFCRRDQBK-UHFFFAOYSA-N 411.466 1.880 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849668935 WQBISJUTOKHUCR-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)cn1 1850206348 FBVDOUYJMMDZGX-AWEZNQCLSA-N 401.264 1.703 30 10 HDEE CCS(=O)(=O)CCNC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1850608345 WGCLJCKEINUQGQ-UHFFFAOYSA-N 400.504 1.874 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cc(C(C)(C)C)nn3C)c(C#N)cc2C#N)CC1 1851138299 MOYMTYBRTSHGPO-UHFFFAOYSA-N 406.494 1.860 30 10 HDEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1852504989 XOVPVISOQGGICF-UHFFFAOYSA-N 403.442 1.418 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853666698 IGSLJVMKNUJCDJ-MSOLQXFVSA-N 420.554 1.707 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)cc1 1853752480 VXRIJYGQIAYPIR-WOJBJXKFSA-N 406.490 1.765 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc(Cl)c2C)C1=O 1853804304 GUASVEASTXEPDA-IAGOWNOFSA-N 404.898 1.893 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3noc4ccc(F)cc34)[C@H](C)C2=O)CC1=O 1853892627 FLKRRKYEKZGETA-KGLIPLIRSA-N 414.437 1.561 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2F)C(=O)C12CCCC2 1854396351 SVVDXBBPZPADMO-UHFFFAOYSA-N 413.858 1.930 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC(Cn4nccn4)CC3)CCC2=O)ccn1 1854706348 IAUFANGGSJKCIM-KRWDZBQOSA-N 407.478 1.336 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)c3ccno3)C2=O)CC1 1855594144 RFDDKYOTSMXMNI-KRWDZBQOSA-N 409.446 1.863 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)Cc3ccccc3)C2)CC1 1855872592 HHASIHUKRJSYEX-LJQANCHMSA-N 403.486 1.693 30 10 HDEE CC(=O)N1CCC[C@@H](CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)C1 1856094699 HNNJYNHKJGXPGQ-HXUWFJFHSA-N 410.518 1.809 30 10 HDEE Cn1nncc1C(=O)N1C[C@H](C2CCN(Cc3ccc(C#N)cc3F)CC2)CC1=O 1856173623 BAFGXNJUJSWFPU-QGZVFWFLSA-N 410.453 1.727 30 10 HDEE C=CCCN1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)C12CCCCC2 1856216671 MLVWFBCTQFNCEC-QGZVFWFLSA-N 401.511 1.878 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cncc(F)c4)C(=O)C3)C2)s1 1856309924 VEKOTMIBMRSPSB-INIZCTEOSA-N 413.478 1.713 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cccnc3O[C@H]3CCOC3)C(=O)C2)C1 1856840305 VIZCRFOHSYIEIG-ROUUACIJSA-N 414.506 1.184 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1856977991 LHEHKAZZJNMERD-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(Cc3cnccn3)CC(C)(C)C)C2=O)CC1=O 1857136728 JMZQOKZXGIMMDK-SJLPKXTDSA-N 413.522 1.487 30 10 HDEE Cc1cc(C)cc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857150017 NJFFCCWBNMCKAR-LJQANCHMSA-N 404.474 1.527 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)C3CCOCC3)C2)CC1 1857382641 LIMMXJWSKMKHFW-QGZVFWFLSA-N 411.506 1.267 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1857489938 LFTJXHAQWCAHED-ROUUACIJSA-N 423.510 1.614 30 10 HDEE CCN(CCO)C(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869929653 JYCWERPFRSOCMV-QGZVFWFLSA-N 419.478 1.316 30 10 HDEE N#Cc1nnn(-c2cccc(F)c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099386 BRPJFWNRKSZHOF-UHFFFAOYSA-N 400.351 1.926 30 10 HDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCC(O)CC2)nc1C(F)(F)F 1872800735 UWHNPDWAEZYPGD-JTQLQIEISA-N 405.398 1.972 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)CC1 1892069817 QSXFRGZCBIEIEF-HNNXBMFYSA-N 422.514 1.384 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(O)nc(O)c1Br 2061904809 DDKFTXIWLZBROU-MRVPVSSYSA-N 415.244 1.896 30 10 HDEE N#Cc1cc(-n2nc(C(F)(F)F)c(C(N)=O)c2I)ccn1 2080261173 NPOIETNSROFERT-UHFFFAOYSA-N 407.093 1.861 30 10 HDEE C#CCn1ncc(Cl)c(N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1=O 2106029178 ZOPMGJGWOMMTOP-INIZCTEOSA-N 416.865 1.979 30 10 HDEE Cc1csc(C(=O)O)c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2162597061 AJOWSWLNQZOOKX-NSHDSACASA-N 415.493 1.888 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@](NS(=O)(=O)CC2(C#N)CC2)(C(=O)O)C1 2166293113 WIZKBYZOCYVDCC-SJCJKPOMSA-N 401.485 1.358 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CC[C@H]1NC(=O)OC(C)(C)C 2174781407 FQQVDLPXJHKPCT-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNS(=O)(=O)N1CCC(C#N)CC1 2174787772 XWABRPFXKZCZPD-GDBMZVCRSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nccc(C#N)c2Cl)[C@@H]2CS(=O)(=O)C[C@H]21 2174813582 YCMWNBAYIYKNFG-CHWSQXEVSA-N 412.899 1.829 30 10 HDEE COC1CN(S(=O)(=O)N[C@@H](C)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2177635834 RLBFRLDTEDJCLH-NSHDSACASA-N 402.347 1.273 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2221674185 IIWPLIFIZMTQJC-CABCVRRESA-N 411.296 1.995 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243417283 NAXPCDNILUYNMV-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243684563 BYUBADAEMYWSRX-HXUWFJFHSA-N 410.320 1.910 30 10 HDEE Cc1c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247776884 FRPKRCBWWQKTJX-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836982 LGBVYVUXQSAMQI-GXTWGEPZSA-N 418.303 1.419 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(CN)CC3)cc2Cl)OC1(C)C 2267702916 NETOSAATPIAHTA-UHFFFAOYSA-N 406.766 1.718 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267725717 CVTRMTRYAXEPID-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCC[C@@H]2CCCN2)OC1(C)C 2282344407 KVINRQKETNIWCG-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE COC[C@@](C)(CO)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282418956 RPKSVPFTWKWKFJ-MRXNPFEDSA-N 405.347 1.065 30 10 HDEE CC1(C)C[C@@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497476 QEENICTYPOFZPV-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N=[S@@](C)(=O)CCN 2282499556 DKCCGPMVNDNEOZ-VWLOTQADSA-N 402.347 1.039 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@H](O)C[C@@H](F)C2)OC1(C)C 2282500605 LUTDRJUJFQNZSE-CHWSQXEVSA-N 405.322 1.282 30 10 HDEE CO[C@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282502562 MXRCDTFZZDNFNZ-RYUDHWBXSA-N 402.347 1.429 30 10 HDEE CCc1nc(C(=O)NCCCC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282508864 CDLMUWCMOATQRB-SANMLTNESA-N 400.375 1.893 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282537190 MQJNFSRYBQKQML-GFCCVEGCSA-N 401.315 1.139 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2282608930 BBPXEFCYSGAUFU-UHFFFAOYSA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3COC[C@@H]3F)c(Cl)c2)OC1(C)C 2282829722 JBDOGJKSUHUEOW-QWHCGFSZSA-N 405.684 1.654 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCNCC2)OC1(C)C 2282842724 CAWXWWMXGCCKNT-AWEZNQCLSA-N 400.375 1.609 30 10 HDEE CN([C@H]1CCCSC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282844624 GTAQLCFTMIVZEM-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282851984 JVYIXJRGKPAKNY-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](C)C1N 2282853823 JSVJUIOBFBNGEF-RYUDHWBXSA-N 400.375 1.651 30 10 HDEE COC[C@@H](CC(=O)O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2284426831 RKIPNBCAWRGCSF-SECBINFHSA-N 403.693 1.920 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2365198681 HZWBJVSDLLVFRC-OWCLPIDISA-N 402.557 1.409 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2365210205 JSVHULQJBREWAZ-JKSUJKDBSA-N 404.573 1.799 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2367786094 GPCHIVFXCMVGTM-RKVPGOIHSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCCN1C(=O)OC(C)(C)C 2367794546 ICHZIKVNCMXDSR-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@H](S(=O)(=O)C(F)F)C2)C1 2368508142 NQRWOERUVPHRAR-JKGQDXBKSA-N 406.451 1.531 30 10 HDEE C#CCN1CCC(=O)N([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)C1=O 2371194079 RIYPNXIJKUKAOP-OAQYLSRUSA-N 413.430 1.530 30 10 HDEE CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 20513418 VAMPSXATNPRQKR-UHFFFAOYSA-N 419.532 1.899 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)cn2)CC1 60833285 FJPAWQCOVIALPQ-UHFFFAOYSA-N 422.533 1.649 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2ncc3ccccc3c2=O)cc1 109940533 XGOMWWHISQJCOF-SFHVURJKSA-N 419.466 1.808 30 10 HDEE C=CCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 223257042 RUZLEKUIXNODKZ-RHQZKXFESA-N 416.423 1.052 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc(C#N)cn3C)c2)CC1 433501471 DUOOFXKZDMIRQV-UHFFFAOYSA-N 401.492 1.475 30 10 HDEE C=CCOC[C@H](NC(=O)c1c(F)cccc1I)C(=O)OC 435950629 RWCMDLCJALOQBE-NSHDSACASA-N 407.179 1.904 30 10 HDEE N#CC1CCC(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 442971380 HUKCEGGFOMZDNZ-UHFFFAOYSA-N 411.549 1.892 30 10 HDEE CCCc1c(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)cnn1-c1cccc(C#N)c1 443746790 LTJXUOYTQHPNTL-HNNXBMFYSA-N 409.368 1.674 30 10 HDEE Cc1ccn2c(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)nnc2c1 446647323 GSISXSPGVIAIDN-HNNXBMFYSA-N 403.402 1.753 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncc(-c2ccccc2)cn1 461345947 VFMBQXXWRQZCAA-HNNXBMFYSA-N 421.482 1.998 30 10 HDEE CCn1nc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(=O)c2ccccc21 465132927 SZKGITGSTCJTKF-AWEZNQCLSA-N 403.446 1.429 30 10 HDEE Cn1ccnc(N2CCN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)c1=O 465566920 IAZXRPQFZFLZKA-UHFFFAOYSA-N 419.407 1.682 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(c2nccn(C)c2=O)CC1 466745767 LHTOWZWQNOIQJZ-MRXNPFEDSA-N 412.469 1.377 30 10 HDEE N#Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 477027242 UQMOWYPAURPVKJ-UHFFFAOYSA-N 417.512 1.399 30 10 HDEE COC(=O)C[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)c(OC)c1 489044703 DEICMUSIGHQCLA-MRXNPFEDSA-N 419.459 1.862 30 10 HDEE CCOc1ccc(C[C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)C(=O)OC)cc1 489292282 MHUIWAXCQXHERC-QGZVFWFLSA-N 417.487 1.971 30 10 HDEE Cc1csc(=O)n1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 494537171 SMLHQECFFPUOTP-UHFFFAOYSA-N 420.516 1.013 30 10 HDEE Cc1csc(C(=O)N2CCN(C(=O)CC#N)CC2)c1I 503625886 HHEYHNNLLCIFEK-UHFFFAOYSA-N 403.245 1.859 30 10 HDEE COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 503641811 FYXLPWMTCZZOHH-INIZCTEOSA-N 418.881 1.538 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N[C@@H](C)CC)CC1 504016711 FXPWTEVVFZXLCK-KRWDZBQOSA-N 400.523 1.803 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(C)(C#N)CC1 506016418 BOIXXCKWANPQDC-INIZCTEOSA-N 420.535 1.660 30 10 HDEE Cn1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(-c2cccnc2)n1 506789229 KLAKKVTVPCHHRE-UHFFFAOYSA-N 422.514 1.860 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCC2CCS(=O)(=O)CC2)c1 507953079 SQJXHBJOYLKLMM-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)CC)CC1 508882384 WYGBENFDPBNOCT-UHFFFAOYSA-N 405.524 1.557 30 10 HDEE C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 511117159 WGZZRWQQNCXIBA-BRWVUGGUSA-N 404.536 1.652 30 10 HDEE Cc1ccc(C(=O)NCc2ccccc2-n2cccn2)cc1S(=O)(=O)NCC#N 512575704 ARUVZUBXUSMRLL-UHFFFAOYSA-N 409.471 1.913 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)c(OC)c2)C1 517269025 VDTCDPHZSBBVND-KRWDZBQOSA-N 424.523 1.149 30 10 HDEE C=CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 521577680 QRZFZGCVKIEWCW-AWEZNQCLSA-N 410.496 1.806 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2)c1 542598772 TZYNMPXQMXXCBV-SFHVURJKSA-N 406.442 1.832 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)c1 550046874 OYTGLBSDVMGIPM-VGOFRKELSA-N 406.490 1.960 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCCCO2)c1 555478764 APIJAEVCQXEVHS-UXHICEINSA-N 408.506 1.907 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC2)CC1 559235433 KVJNTJZRDJRKOG-INIZCTEOSA-N 404.478 1.903 30 10 HDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NCc2cnc3ccc(C#N)cn23)C1=O 560257613 BDWXEKDZLXYAHB-UHFFFAOYSA-N 417.429 1.311 30 10 HDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cnccc2C#N)CC1 583908264 RDRXNEJOLJZBAU-UHFFFAOYSA-N 404.474 1.839 30 10 HDEE N#Cc1cc2c(nc1N1CCC[C@H]1Cn1nc(-n3ccnc3)ccc1=O)CCOC2 585601334 BJBYPIRMPSFAEW-KRWDZBQOSA-N 403.446 1.437 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1C#N 607947698 XDICJVHMNPDTFR-UHFFFAOYSA-N 405.479 1.997 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 616408914 WLMINGKNJHOFLO-UHFFFAOYSA-N 417.462 1.994 30 10 HDEE CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732464892 BVRZQHVASIOCPJ-IGGDJGDASA-N 419.526 1.631 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n(C)c2)C1 732650037 YAAWBNLNICZAMW-WBVHZDCISA-N 419.551 1.258 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CCC 772897376 GIAGRMCGTFHZMF-UHFFFAOYSA-N 416.572 1.780 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H]1CCS(=O)(=O)C1 774149233 VGVNZSAARGNJKZ-QFBILLFUSA-N 406.504 1.987 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3c(F)cc(C#N)cc3F)c2=O)cn1 782703131 BLKCDCYWLYFLKU-UHFFFAOYSA-N 408.393 1.292 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(S(=O)(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 790625897 YAMSYPXRFKNRJQ-LJQANCHMSA-N 415.556 1.872 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)cc1 797236536 XKMVYFNPSAQGIF-UHFFFAOYSA-N 403.435 1.840 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(C)c(C)c2)=NO1)[C@H]1CCS(=O)(=O)C1 802381783 PUPYKEZYNARUKI-ZWKOTPCHSA-N 403.504 1.628 30 10 HDEE C=CC[C@]1(C(=O)NCCn2cc(C(=O)OC)nn2)CCCN1C(=O)OC(C)(C)C 803644911 WKMVLRFBJYYILX-LJQANCHMSA-N 407.471 1.527 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)[C@@H]1CCS(=O)(=O)C1 806460936 VXBROHICNQMMEI-DZGCQCFKSA-N 409.489 1.027 30 10 HDEE COc1cc(CNC(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)ccc1C#N 812544605 UKLRTKOJRHCSNN-QGZVFWFLSA-N 417.510 1.917 30 10 HDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 919938326 AYOGZVHFFBLDMR-UHFFFAOYSA-N 424.479 1.007 30 10 HDEE C[C@@H]1OCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1C(F)(F)F 1131406049 WYQZNFRSRYOUTA-PJODQICGSA-N 424.379 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2nnc3ccccn23)s1 1136471265 NZNGSKDKHNNXCD-UHFFFAOYSA-N 405.505 1.456 30 10 HDEE C#CCN1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1136862881 GBZHLURFMWSQNK-UHFFFAOYSA-N 401.308 1.924 30 10 HDEE C[S@](=O)CCN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136899807 MNNXVTXEXHYREG-OLRZCDJHSA-N 414.572 1.486 30 10 HDEE N#Cc1c(F)cc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1F 1136925119 KAMVMKIQMWMUEU-UHFFFAOYSA-N 420.460 1.527 30 10 HDEE COC(=O)[C@]1(F)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1137274924 IVRVHEJIMYSLDZ-KRWDZBQOSA-N 410.243 1.871 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 1137591746 IGAWIVHHVVLBSN-RNODOKPDSA-N 418.498 1.281 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2=O)c1 1139683889 LBODBMHNGMFLOQ-OMCJBDSBSA-N 411.389 1.915 30 10 HDEE CCOC(=O)[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)=O 1141804430 YSFBIQRUQQEVDJ-SEPJKUCUSA-N 423.491 1.596 30 10 HDEE CCN1CC[C@@H](N(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1146911855 WPGGMZGPYMFKIR-LJQANCHMSA-N 418.563 1.902 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)c1 1152069801 CEGJPRYYDYKSJV-UHFFFAOYSA-N 421.496 1.502 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(NS(=O)(=O)NC)CC1 1156465274 SLYQDTSXXLOAPY-UHFFFAOYSA-N 419.507 1.096 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1 1159182265 LSHQJCXNQIZYLZ-HNNXBMFYSA-N 420.512 1.452 30 10 HDEE CCOP(=O)(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)OCC 1163282145 ZHTHHDMSQNSLMS-CYBMUJFWSA-N 417.424 1.907 30 10 HDEE CCCCn1c(CN2CCOC[C@@H]2C#N)nc2c1c(O)nc(=O)n2Cc1ccccc1 1167699064 GHDPABXRZPCXKC-KRWDZBQOSA-N 422.489 1.871 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1167952499 NASFDCGIGLSXHG-RDJZCZTQSA-N 406.504 1.100 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3CCOC[C@H]3CC)ccc2c1=O 1177128036 BLUFSILXSVMBHZ-OAHLLOKOSA-N 402.520 1.712 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1C[C@@H]1CCCO1 1179428598 VREABVPOYMSIDH-UAGQMJEPSA-N 407.492 1.022 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180099612 HBULRTDKVZXXDF-ZBFHGGJFSA-N 407.430 1.546 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1194086559 BAZXSNZKPGYUQZ-KURKYZTESA-N 412.508 1.269 30 10 HDEE C=CC[C@@H]1CCN1[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1198489608 CKIFJFAITAHXMG-FUHWJXTLSA-N 407.536 1.993 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1209263527 QRCKLYMPAYCOFJ-UHFFFAOYSA-N 401.510 1.607 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 1216926040 JRJLQOFNYZYTTH-UHFFFAOYSA-N 422.327 1.900 30 10 HDEE C#CCN(C(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C1CCN(C)CC1 1252289933 UVVWOANQPHGZJL-KRWDZBQOSA-N 418.513 1.478 30 10 HDEE C#CCN(C(=O)CC1(OC)CCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1286048931 HQIHXGZEKUWLMH-IYWGDAJJSA-N 400.519 1.822 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@H]1C 1286467249 SAQGJBAZUVAQKF-KKSFZXQISA-N 402.470 1.634 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286482050 MCNLWUZJDLVHTO-OAQYLSRUSA-N 421.549 1.278 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-n3ccnc3C)nc2)CC1 1286484030 GBXGSADPDNLYCE-UHFFFAOYSA-N 420.521 1.507 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286537553 FPGMCYJVZYDJBW-ZBEGNZNMSA-N 411.304 1.100 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1286606032 DXYIZRDTLNLIQL-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1286687454 NXOZEYLYHGQIKY-GOSISDBHSA-N 411.510 1.919 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286703861 UDCVEXUCJGCOEP-UHFFFAOYSA-N 424.571 1.227 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 1286791681 ZATNWLOOBJPBOM-UHFFFAOYSA-N 416.913 1.759 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)cs1 1290417044 FCRJEMKMRRLAPF-SFHVURJKSA-N 405.503 1.944 30 10 HDEE C#CCN(CC(=O)N(C)CCNS(=O)(=O)c1ccc(C)cc1)C(=O)OC(C)(C)C 1294087089 UNDOXKJYDKLAHY-UHFFFAOYSA-N 423.535 1.602 30 10 HDEE C=CC[C@H](NC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1296237132 VFVJRLRYBMTBOU-HOTGVXAUSA-N 421.519 1.908 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)ccc21 1296487907 KEPMVJKNLGHJSV-MJGOQNOKSA-N 420.473 1.638 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(OC)c(OC)cc1Br)C(=O)OC 1297029518 ICGZZMUTPYKQPC-GFCCVEGCSA-N 402.241 1.940 30 10 HDEE C#CCN(CC(=O)N1CC[S@@](=O)C[C@H]1c1cnn(CC)c1)C(=O)OC(C)(C)C 1297282075 DOKDNMAEZMQQOG-DEXQXJORSA-N 408.524 1.405 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CSc2ccccc2O1 1299899898 JYBPCDDNXVNLAI-HIFRSBDPSA-N 417.512 1.895 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1300361926 JWDMPHJJGQCVTA-UHFFFAOYSA-N 422.537 1.582 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300409943 LGHXZNIBAZZESG-ZWKOTPCHSA-N 400.527 1.778 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1300506565 VAUOFJZEYXNIKT-BGYRXZFFSA-N 410.566 1.955 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1300665475 JVYRNMHHBZHFHC-SFHVURJKSA-N 424.505 1.054 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1300723564 WDCZHYLRHBSVIG-INIZCTEOSA-N 407.465 1.936 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C)C1CC1 1301314633 YVCYOIFUFFSUQW-ZDUSSCGKSA-N 408.528 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)CC1 1301577627 RGVOBIMTZWBSIL-UHFFFAOYSA-N 423.539 1.216 30 10 HDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)N1CCCCC1 1302338112 GDXRFLQIDGMNLK-FOIQADDNSA-N 403.506 1.936 30 10 HDEE C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1303700313 DASJTFCZFFDWFQ-HZPDHXFCSA-N 400.458 1.534 30 10 HDEE Cn1cnnc1COCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252196 IMXHXFWTJXFKFC-HTQZYQBOSA-N 422.276 1.961 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(c3cc(C#N)nc(C)n3)CC2)cc1 1306973225 FMBDYYTVLMJJDF-UHFFFAOYSA-N 400.508 1.066 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1309871109 ZTLDPHXBOSAFPV-UHFFFAOYSA-N 414.549 1.563 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CS1(=O)=O 1312469091 IYHCABBJUBYYBS-YIYPIFLZSA-N 400.501 1.010 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1COCCO1 1316099607 IDLIVBIBCZRNKY-KRWDZBQOSA-N 416.438 1.635 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC[C@@H](O)C1 1316286189 ZCKYZYLDLHKLLD-SUFIHLRJSA-N 407.490 1.995 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 1316537149 AVLGKRBMMBPGAT-QWHCGFSZSA-N 421.383 1.420 30 10 HDEE C=CCO[C@H]1CCN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1 1325224484 YCDMULAPMSSDEJ-GJZGRUSLSA-N 411.524 1.549 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1358871029 YXSOSUJOUHURPF-SUMNFNSASA-N 402.524 1.931 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2CCS(=O)(=O)C2)c1 1358902902 DLVJMVHXYHBMOR-MRXNPFEDSA-N 415.519 1.331 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1358905333 XIDKTQMUGSBEMX-OLZOCXBDSA-N 423.461 1.459 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1358955491 MWYAZBNDUOFPKJ-QLFBSQMISA-N 414.491 1.133 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359033026 MSXWSSGBZPJIGS-JOCHJYFZSA-N 403.490 1.050 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)on1 1359048825 CAUBPJAROXXXCK-CYBMUJFWSA-N 412.541 1.188 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)COC(=O)N2 1359057274 WEHBDXSZMROGNE-OAHLLOKOSA-N 405.524 1.965 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359080778 DBSIZQPTVCPODB-CYBMUJFWSA-N 407.272 1.200 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359083305 HBVZDEDOQPPSSH-OLZOCXBDSA-N 411.304 1.642 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC[S@@](=O)CC)CC1 1359162478 RWECLEAVJRIHEJ-LJAQVGFWSA-N 412.523 1.846 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359222042 WTUBDJUGHFSIIM-ROUUACIJSA-N 420.558 1.166 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359286803 SIHMCDMKVMTQHL-SFHVURJKSA-N 401.559 1.410 30 10 HDEE C=CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346573 OPHVDEMOUCCIQY-WOJBJXKFSA-N 423.583 1.940 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1360337795 WNUOFKORVCJDTR-MRXNPFEDSA-N 415.490 1.783 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)N(C)C)CCOC1 1360338874 MDSIKTWTIMJKML-OAQYLSRUSA-N 418.542 1.927 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1441031391 WJNKFWPDENXAGQ-UHFFFAOYSA-N 406.913 1.744 30 10 HDEE Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1C(=O)N(C)C 1444341649 CSQPXTCNJIVGCC-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE COCC#CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1446247349 RLFVLPJHZBCYDY-IAGOWNOFSA-N 407.511 1.391 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1450390882 NUGRIWHXYNHZTG-JKSUJKDBSA-N 406.487 1.521 30 10 HDEE COC1(OC)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1O 1452118509 ONHNGGLVHOGFAP-QGZVFWFLSA-N 405.300 1.490 30 10 HDEE COC1(OC)CC2(CN(C(=O)CCn3cc(C#N)c(O)nc3=O)[C@@H]2c2ccccc2)C1 1452555559 DTBOKVBGEPIWEQ-GOSISDBHSA-N 424.457 1.563 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1452865985 UWOJHAYYAQEYSU-IBGZPJMESA-N 406.548 1.903 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 1459877788 ALIHXSWKTOGYGC-QGZVFWFLSA-N 400.932 1.990 30 10 HDEE Cn1nccc1[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCO1 1463079208 GZLRTNRSZPXCAR-SFHVURJKSA-N 402.476 1.711 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3[nH]c4ccccc4c3C#N)CC2)cn1 1465347063 PJXPILBDUMUVFC-UHFFFAOYSA-N 412.475 1.356 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)C)C(=O)[C@H]2C)s1 1467324092 PIHIKUPYOWDUTC-CQSZACIVSA-N 413.565 1.470 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1468182161 FCWROAUKYXWZIC-HOTGVXAUSA-N 420.485 1.868 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1468327752 HIMHEZLSILWZHA-SJORKVTESA-N 410.854 1.609 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1468373887 RQWUJGXKFAGRGS-IONNQARKSA-N 416.219 1.810 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1470265591 BJEYUPCQSZSYBE-UHFFFAOYSA-N 423.558 1.311 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(F)ccc2nc[nH]c12 1470828278 LOAHDVQKWFMFRY-NSHDSACASA-N 401.423 1.557 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CC2CCOCC2)C(=O)OC)c1 1471581759 ZWCPWKGTLWBSQA-GOSISDBHSA-N 407.488 1.572 30 10 HDEE Cc1[nH]nc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 1471677888 RLPAKCBXCUTZOD-HNNXBMFYSA-N 403.508 1.796 30 10 HDEE O[C@H](CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C[C@@]1(O)CCOC1 1473849264 ZXXVCROOJSOAOP-MMWGEVLESA-N 413.305 1.992 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1479059857 HGKHKFIBSDDNMB-ZWKOTPCHSA-N 405.520 1.591 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1499660820 PYDPWCKTOURBDT-QWHCGFSZSA-N 408.484 1.016 30 10 HDEE CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1503379334 AGZVCODMYNEYJK-QRWLVFNGSA-N 415.473 1.738 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)C1 1505311544 ABTOQKJTKQDPEY-GOSISDBHSA-N 418.860 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(=O)NC1CC1 1507517744 JJFDMWONIGXPGI-HRAATJIYSA-N 403.527 1.835 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1507521153 VUINKOKHSOFNLN-DIFFPNOSSA-N 405.300 1.972 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507559588 RSNSPNHAELWYLC-UHFFFAOYSA-N 406.494 1.674 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1507739957 WFZNVUYMEDXCSM-IPMKNSEASA-N 415.538 1.563 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(COC)CCOCC1)C1CC1 1507995380 JEXXLKXVVADEEV-UHFFFAOYSA-N 403.527 1.999 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1508062114 OLFFRKBFEOYVIV-UHFFFAOYSA-N 401.540 1.986 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCOC(C)(C)C2)C1 1508120023 XOFRIMBQFVRTQO-QGZVFWFLSA-N 413.526 1.627 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(C)(C)O 1510153780 DXBHEOLLCJOGHW-AWEZNQCLSA-N 420.539 1.557 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)cs1 1511546438 NRHVLXQZBNUUTA-MRXNPFEDSA-N 417.539 1.525 30 10 HDEE CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1515336858 ZMMRVEUSAZTWHQ-ZPHPHTNESA-N 410.434 1.656 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCOCC1 1516824335 FUBGBZUJDYQQGD-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CC1 1517701422 GCEGXFNRDRVOHS-UHFFFAOYSA-N 424.490 1.913 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1518443744 HNUTXTVTZVNSGX-YOEHRIQHSA-N 410.478 1.597 30 10 HDEE Cc1c(C(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cnn1CCC#N 1524935045 WCPPFZKBKSAMNR-GOSISDBHSA-N 412.498 1.056 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccnn3C)C2)ccc1F 1536598665 MBBGCTGNFRICLY-INIZCTEOSA-N 408.455 1.237 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1538975936 FTOOAGOZVKLTCD-PWIZWCRZSA-N 407.584 1.825 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1539120685 YIRSDXRTGWPVHU-KRWDZBQOSA-N 417.539 1.102 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539174941 NWYAWVRLXXGFFM-KRWDZBQOSA-N 409.494 1.877 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539231355 RNSGNJYKWGVUSU-QZTJIDSGSA-N 415.519 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCC(=O)N(C)C 1539265718 JXRFOLKRSXFPLW-IBGZPJMESA-N 407.474 1.732 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539427301 ABGAGMPWXJZQAG-MJGOQNOKSA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCOC)CC1 1539460105 WKXJFMAPBDIHDJ-UHFFFAOYSA-N 408.506 1.911 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1539954013 YAVNXJPSEXUHSR-CQSZACIVSA-N 414.532 1.133 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(N)=O)CC1 1540872285 JFIVUHBOJXKHMS-UHFFFAOYSA-N 400.458 1.012 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC(C)C)C1 1540894579 ASIJCYOLNZBGOV-QGZVFWFLSA-N 401.515 1.446 30 10 HDEE CC(C)(C)OC(=O)C1(CNC(=O)CNC(=O)c2ccc(C#N)cc2)CCOCC1 1557169091 IYXGGOQVZSFCDB-UHFFFAOYSA-N 401.463 1.543 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)c1 1557391047 SLENYJAYQFBTFV-HXUWFJFHSA-N 407.488 1.714 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2Cc3nc(C4CC4)nc(O)c3C2)ccc1F 1558190167 WJDNSMKHUHSWFY-UHFFFAOYSA-N 418.450 1.819 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc2c(s1)CCC2 1558259978 GZNNVGBOOBDLEL-GFCCVEGCSA-N 404.517 1.529 30 10 HDEE C#CCN1CCN(C(=O)CN2CCOC[C@H]2c2ccc(Br)cc2)CC1 1559980225 JCAZGYFLAWZBBC-SFHVURJKSA-N 406.324 1.600 30 10 HDEE N#Cc1csc(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)n1 1565411593 VGAUCTZLPLKJQX-HXUWFJFHSA-N 411.487 1.728 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1 1567328150 NTTVFDXRFRTZGY-UONOGXRCSA-N 405.455 1.145 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)C1 1567388041 NRERPLHBXKIMFS-KSZLIROESA-N 412.490 1.910 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NC)c1 1570594609 KSMIHBFZMQGWOX-FQEVSTJZSA-N 410.495 1.797 30 10 HDEE CCN(C(=O)CSCC#N)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1584717858 KSNWKUQQQNZOSG-OAHLLOKOSA-N 412.556 1.950 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)CC2CCN(C)CC2)cc1 1586952258 OGKGGFBGPKYNEG-UHFFFAOYSA-N 409.552 1.581 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1587567650 IGFGZORJGHLKSM-WQTXXOFMSA-N 415.538 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1587620643 IQNAWZJPEKZSQE-HNNXBMFYSA-N 421.505 1.657 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1587989632 LINNAQCNOQIJAF-HZPDHXFCSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1588035060 OWZWSQOYWGVTKL-PXNSSMCTSA-N 424.567 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1588386945 QZWBDEXWNMPLAC-DLBZAZTESA-N 416.551 1.722 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N(C)C 1588659925 PHTIXMDURPSNAL-UHFFFAOYSA-N 405.449 1.711 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1593717757 KABBVJLGNOSGCI-GOSISDBHSA-N 415.494 1.498 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1594784359 XXUBKGCXQDLESW-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC1(C)C 1595799379 ZNPUIJPXVFORHX-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595838733 ZBUAGPRAZJIQBJ-KGLIPLIRSA-N 408.528 1.270 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cccn3CCN3CCOCC3)C2)nc1 1596978874 UCEFUILGYQORPP-LJQANCHMSA-N 408.506 1.804 30 10 HDEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1603496910 ADWIOCLWVCYXAY-IBGZPJMESA-N 420.514 1.897 30 10 HDEE Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607490302 WFAJOJUWVFNEAG-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1608580035 VRFWCEJEQCGEHW-IRXDYDNUSA-N 415.542 1.408 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)n1 1612200582 IUGGKNLPLGYJSJ-KRWDZBQOSA-N 407.475 1.030 30 10 HDEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1612330401 DIJSNCQWRCSRSA-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)N1CCCC1 1613618796 AWGSDWGLKYRUBE-IBGZPJMESA-N 407.522 1.970 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1617046767 GOMUBPDNHUQRFZ-GOSISDBHSA-N 421.339 1.386 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1617126272 RFAKRIPNTUZMPT-UHFFFAOYSA-N 403.464 1.568 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1618180304 GRFSCGUKGSLVDE-NSISKUIASA-N 408.502 1.766 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1619824809 ARDNLJOJDXNGGQ-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1619846774 AVKZWTZYDMPMEW-ZWKOTPCHSA-N 410.478 1.715 30 10 HDEE C=CCN1CC[C@H](N2CCC(n3nncc3I)CC2)C1=O 1620421052 ZAKMKWVSGDVMBQ-LBPRGKRZSA-N 401.252 1.307 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccnn3CCc3ccccc3)CC2)nc1 1621680309 CZOVVCHPGGLDAL-UHFFFAOYSA-N 422.514 1.903 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3cccnc3)cc2)CC1 1625426626 RTUSLYNCFWNBPK-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE COc1cc(NC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)c(F)cc1C#N 1626512950 FKSOQKIJASSVHO-UHFFFAOYSA-N 403.458 1.724 30 10 HDEE C[S@@](=O)CCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1628485084 AUTQZANYRAGVLD-MUUNZHRXSA-N 411.568 1.160 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)Cc2ccc(C#N)nc2)c1 1630575916 QBLOEWJIIIYMSV-UHFFFAOYSA-N 403.464 1.101 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1630757449 DXYOBMNWDKECSJ-CABCVRRESA-N 408.499 1.731 30 10 HDEE COC(=O)[C@@H](O)C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1631119935 KXMJVVHXYDLHKX-HOTGVXAUSA-N 411.499 1.736 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1634439440 YJDKOTKMVULOOD-UEXISHATSA-N 406.483 1.855 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2(O)CCC2)CC1 1636318540 RSOCBCMXADCYLO-MRXNPFEDSA-N 419.547 1.951 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)NCc3cc(F)c(C#N)c(F)c3)CC2=O)cn1 1639271718 WXLQZFSCOXXKQH-ZDUSSCGKSA-N 403.389 1.349 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)(F)F)CC2)s1 1639556797 CFPYVKDBRUYQNY-UHFFFAOYSA-N 407.508 1.554 30 10 HDEE CCOC(=O)c1cn(CCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1639909496 CTPAJOCBSKJVBT-UHFFFAOYSA-N 418.494 1.827 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)C2=O)cc1 1639973569 FLVUWNNCILEPGV-AUSIDOKSSA-N 402.454 1.233 30 10 HDEE C#CCN1CCN(C(=O)Cn2c(-c3ccc(Cl)s3)ccc(C#N)c2=O)CC1 1641232789 DGOFQGCFWOVCCV-UHFFFAOYSA-N 400.891 1.879 30 10 HDEE N#Cc1c(F)ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1N 1641850147 GEZLEWYKYWTGDE-UHFFFAOYSA-N 418.450 1.677 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(SC(F)F)cc2)c(=O)n1CCO 1644183849 PWRUYNVSFSGABK-UHFFFAOYSA-N 410.402 1.136 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1646064279 CKTAPMDIRPLIMH-GOSISDBHSA-N 421.457 1.757 30 10 HDEE C=CC[C@]1(C(=O)NCCCn2ccc(O)nc2=O)CCCN1C(=O)OC(C)(C)C 1647049575 GZMPGCHQSJWHEA-HXUWFJFHSA-N 406.483 1.801 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1CCN1CCC(C)CC1)c1cc[nH]n1 1648839126 LYCMDGMQNYMYFH-KRWDZBQOSA-N 419.526 1.807 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(F)c(F)cc3Br)C2)c(=O)nc1O 1653760419 WMZQOHRVSYGFHZ-UHFFFAOYSA-N 411.162 1.558 30 10 HDEE CC[C@H]1C(=O)NCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654879011 UGHGYCORCNMMNS-OALUTQOASA-N 401.486 1.135 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1 1655372043 GISQMVLMYOZYDQ-UHFFFAOYSA-N 412.471 1.885 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 1658321631 XKGWXNYWAYPJIE-OAHLLOKOSA-N 423.539 1.077 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)cc1 1659390978 SLKFVZLGYVQWAX-UHFFFAOYSA-N 408.483 1.823 30 10 HDEE C#C[C@H](NS(=O)(=O)N1CCC[C@@H]1C(=O)OCC)c1ccc(Br)cc1 1662181619 PWRCWUWRLHHMJJ-LSDHHAIUSA-N 415.309 1.985 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1663387837 BTWGCRCXWJAHHQ-XDNAFOTISA-N 410.492 1.285 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(=O)n(CC(N)=O)c1)c1ccc(Br)cc1 1671525940 WTWJSRJXENJBLY-AWEZNQCLSA-N 403.236 1.592 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cn1 1672353046 MPWIJOXKWCOOKG-ZETOZRRWSA-N 413.297 1.485 30 10 HDEE C=CCC1(C(=O)N2C[C@H]3[C@H](CNC(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)[C@H]3C2)CCOCC1 1678898808 UAVFXSMRHOWMIV-GYDLCOFYSA-N 400.519 1.603 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3ccc([N+](=O)[O-])c(OCC)c3)CC2)C1 1685176950 HRIAWVNATYJSJD-KRWDZBQOSA-N 415.494 1.923 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1689827748 IYPUBTMLDNZBIQ-OLZOCXBDSA-N 410.569 1.608 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1689937361 XVCMQUIUIFRUQE-HUUCEWRRSA-N 412.519 1.398 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC=C 1689961200 OIZOURASMGCFRG-UHFFFAOYSA-N 405.462 1.047 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1689990186 MLQNUIRONFJUMH-MRXNPFEDSA-N 407.540 1.041 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1690059840 ZBUKURXFRRCTBA-ZDUSSCGKSA-N 409.487 1.544 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCCN2CCN(c3ccccc3)CC2)CC1 1690125508 IHRSNETVRQKQGA-UHFFFAOYSA-N 421.593 1.808 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(CC)CC 1690205887 APQMAPWJTQSOJV-SQGPQFPESA-N 407.584 1.903 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2OC)CC1 1690375514 MXYGFWJTZBHMCA-BRWVUGGUSA-N 410.540 1.388 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@@H]2C)CC1 1690375558 NXEXXSSVQCFETD-IRXDYDNUSA-N 409.556 1.057 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)N1CCCC1 1690677988 HBLKVCZKAWHWNM-ZDUSSCGKSA-N 420.424 1.337 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccco1 1696335715 AMNZOEVHESKYEO-HNNXBMFYSA-N 408.466 1.833 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1697483192 ACPAOLJXDGVVJH-AWEZNQCLSA-N 422.445 1.690 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705568078 GYZSKFLETWEJPF-SFHVURJKSA-N 418.567 1.813 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)Oc2ccccc2)CC1 1705631780 PUYJMJZQWJLEFK-IBGZPJMESA-N 422.533 1.737 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705781598 DCYXLIZORLQOBZ-IXDOHACOSA-N 410.540 1.123 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@H]21 1705819802 URSOIGNZNNOMPP-ZACQAIPSSA-N 409.556 1.956 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1705825317 QGJWNURUUUTYBL-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1705831852 FJDJNIVVMAIDSB-UHFFFAOYSA-N 418.542 1.298 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCOCC1 1705843767 NJYRRHFEVMCSER-SJORKVTESA-N 411.572 1.159 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705906005 OJDDRDYORXSGJA-UHFFFAOYSA-N 404.515 1.590 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705906010 OLJAUUCIGSASJN-HUUCEWRRSA-N 411.572 1.571 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705906869 RBWQEWDMYAEDCE-HZPDHXFCSA-N 410.478 1.645 30 10 HDEE CC(C)CO[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706530120 XOKZTCMHGDQNNQ-OSCRUYLVSA-N 414.510 1.933 30 10 HDEE CCc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709082037 NODVPWSMFYCILV-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)CCO1 1712884850 UKNKYHSROSCAPK-OLZOCXBDSA-N 405.409 1.677 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1722286486 CQUUCMQHRIQUHW-HNNXBMFYSA-N 403.508 1.447 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1722288532 BGYKAIXRKLYQCN-OXQOHEQNSA-N 400.552 1.939 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(O)cc2)CC1 1722447676 LUKUGNYJDMXJQE-IBGZPJMESA-N 423.517 1.892 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cn(C2COC2)nn1 1722505856 PMMNNZFSFIJSEJ-HXUWFJFHSA-N 417.514 1.544 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1722619669 GYDUAUSXNFHHJJ-UHFFFAOYSA-N 409.556 1.770 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1722740908 VJFLASVERZJWBG-CYBMUJFWSA-N 418.523 1.592 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722861010 ABVHKYMDGKTHRZ-OAHLLOKOSA-N 421.505 1.444 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1722868709 DIMNPRKZPSKIJU-OAHLLOKOSA-N 407.478 1.851 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCSC1 1723307537 FSLRJDMZIMGQCB-FQEVSTJZSA-N 414.535 1.880 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1723619696 AVNFAPMPNNHUGA-QGZVFWFLSA-N 401.515 1.019 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1729588584 ALTDGQIHSLNCTI-GOSISDBHSA-N 419.489 1.371 30 10 HDEE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1730465610 HKTMHTRPNGWBNR-HNNXBMFYSA-N 409.450 1.470 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1731188793 IWPTUPFGYQHOAN-OLZOCXBDSA-N 423.399 1.562 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740547244 QYQWHBUJKWKDKC-AWEZNQCLSA-N 413.482 1.487 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740555489 JQNVQWYIIPWCNI-MVZUJROASA-N 405.462 1.248 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740575344 NQTABZHFUYTKDC-GOSISDBHSA-N 402.543 1.186 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740612703 GSNCTOMCMKWIAH-HXUWFJFHSA-N 418.519 1.093 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCCC1 1740646262 UNJIPPKGEVVIHM-INIZCTEOSA-N 407.540 1.310 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1740686220 GMFVBJMYGHVVBN-UHFFFAOYSA-N 422.464 1.636 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1740787329 GVUGKBYUDHXGNO-CABCVRRESA-N 415.560 1.485 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1741560010 FSGNJJJEHSSXOI-UHFFFAOYSA-N 420.525 1.672 30 10 HDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1741754190 JMHGZBRYVOEYEQ-KRWDZBQOSA-N 412.494 1.855 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(C#N)CC1 1747429460 LBAFCTQHGOTVKK-MRXNPFEDSA-N 424.571 1.931 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748305832 KWPIRRDTHUZGMO-DCOQFNDQSA-N 414.466 1.071 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1748640486 VTAXKHBQCWPGBL-HUUCEWRRSA-N 424.571 1.137 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748821005 LEYHBBXVWPMFLN-LJQANCHMSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCC1 1748847329 SDOSZQKSAMNKBQ-KRWDZBQOSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC1(CS(C)(=O)=O)CC1 1748852811 MFZMELHPZOSSSK-UHFFFAOYSA-N 402.545 1.828 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](COC)OC 1748914649 MWNBIWOYYLFTDN-MRXNPFEDSA-N 406.508 1.470 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1748978060 MPBSQJUHYALTNA-SFHVURJKSA-N 402.543 1.989 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(O)CC(OCC)C2)CC1 1749008774 FUTVHGZHSKHQDW-UHFFFAOYSA-N 401.511 1.051 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCCC)CC1 1749014123 FDXSXRNCFYTOJG-UHFFFAOYSA-N 402.543 1.359 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)NCC)CC1 1749251751 IRJNJMXVDHVYGJ-AWEZNQCLSA-N 400.911 1.606 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1749285445 KFCUCMPCBKRFJW-UHFFFAOYSA-N 407.540 1.495 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)CC1 1749295797 AQFFOBJZALSGMG-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1cccc(O)c1 1749676881 GVJDCFOPHXORDF-OAHLLOKOSA-N 412.494 1.606 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC=CO2)C1 1749698360 UERFQYHKFBWSKF-OWCLPIDISA-N 411.528 1.362 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1760210602 UKZWUOHNYREXHU-OWSLCNJRSA-N 403.552 1.787 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(O)(CC)CC)CC1 1760255847 AYSQVGDHDFAATF-NRFANRHFSA-N 405.543 1.237 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cccc(C(N)=O)c2)CC1 1760258827 CHHRLSRKZVCODS-FQEVSTJZSA-N 422.533 1.617 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[S@@](=O)CC)CC1 1760264700 WBICGSJHIXGEPI-LJAQVGFWSA-N 419.526 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCNC(=O)C(C)C)CC1 1760265210 RUBRFSBVELVYMB-UHFFFAOYSA-N 402.543 1.530 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760527051 LYTZKKIXQYRWCP-ROUUACIJSA-N 412.542 1.115 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760552505 QFYHTSHZPVCCIT-SJLPKXTDSA-N 419.551 1.890 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1760688536 JZCXZOCREIIKSF-SNVBAGLBSA-N 419.291 1.214 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccncc1Cl 1761477368 CPXSOJOCJVOABS-GFCCVEGCSA-N 423.930 1.725 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1 1766705348 BGNCLCCHBPHBGH-PBHICJAKSA-N 414.507 1.243 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1766870064 HBCSUERPCPWHIR-AWEZNQCLSA-N 406.393 1.363 30 10 HDEE COC[C@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)OC 1770780375 CNAOVACBESYCGX-GJZGRUSLSA-N 405.430 1.386 30 10 HDEE N#Cc1c(NC(=O)CCn2ccn3nc4c(c3c2=O)CCCC4)nc2n1CCCC2 1849950929 CPJMJXDPSZUPJZ-UHFFFAOYSA-N 405.462 1.808 30 10 HDEE COc1ncc(I)cc1C(=O)N1CCN(CCC#N)CC1 1851447002 ZNTTXLAEAIKMIM-UHFFFAOYSA-N 400.220 1.366 30 10 HDEE CN(CC(=O)OCCN1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 1851918596 LPGKKHWGDMZSTG-UHFFFAOYSA-N 403.483 1.485 30 10 HDEE CN(C)C(=O)[C@H]1C[C@H](OC(=O)COc2ccccc2C#N)CN1C(=O)OC(C)(C)C 1852536167 ZJLIHMLFOXILAM-JKSUJKDBSA-N 417.462 1.946 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1cc(Br)cnc1N1CCOCC1 1853071265 INERVQPQWAHSHP-UHFFFAOYSA-N 400.233 1.058 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCC2 1853683179 CKGHXVYRXWSNFN-KRWDZBQOSA-N 403.523 1.574 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2=O)cc1C#N 1853948013 GYHQCMGDBVGDNN-UHFFFAOYSA-N 415.446 1.820 30 10 HDEE COc1ccnc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1854352649 MCRUENIHUXQMSL-SFHVURJKSA-N 407.430 1.251 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cnc3ccccc3c2)C(=O)C12CCCC2 1854424311 KULAPWUYXFWXAV-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE CN([C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 1854667498 DGIRHYJAHZDHTQ-CJNGLKHVSA-N 409.895 1.266 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1854782779 YLFBEXRGRAIRJV-SFHVURJKSA-N 409.552 1.360 30 10 HDEE Cc1nc([C@H]2CC(F)(F)CN2[C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1854884479 HITARTURLDZQCZ-UONOGXRCSA-N 402.361 1.468 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(CC(=O)N4CCCC4)CC3)CC2=O)cc1 1854899414 LBHMAXDEIMJAFT-FQEVSTJZSA-N 408.502 1.881 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)c3ccccc3-n3cnnn3)C1=O)CC2 1855036444 ZKOYCAIBKVADCD-CRAIPNDOSA-N 405.462 1.419 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3cc(-n4cccc4)ncn3)CC2)CCC1=O 1855247815 JNOBVLNWEIPBRU-KRWDZBQOSA-N 407.478 1.068 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2=O)CC1 1855961947 YLQKOBJKHNASLH-OALUTQOASA-N 411.506 1.552 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cnn([C@@H]4CCOC4)c3)C(=O)C2)cc1 1856310096 GULQNSZXTPUQDY-GOSISDBHSA-N 409.446 1.080 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cc(C)ccc3C)C2)CC1=O 1856370600 LOKWHHYRQQWDJH-GOSISDBHSA-N 419.547 1.703 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3c(F)cccc3F)C(=O)O2)CC1 1856612062 LOUAVQSIAKOYNF-AWEZNQCLSA-N 413.402 1.491 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@@H]1CCN(C)C1=O 1857046244 RADQQNFJMGPBKM-UKRRQHHQSA-N 422.888 1.972 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)CC1 1857224210 ZXOPIJKOJQHUKO-RDJZCZTQSA-N 402.495 1.466 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 1857233246 OGERSQNMIDNKJV-MSOLQXFVSA-N 411.568 1.464 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@H]1CCN(C)C1=O 1857239413 CDAXACKQJSEDJZ-PMACEKPBSA-N 408.502 1.585 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)c1C 1857305910 KJORLZYPGUWLHF-KRWDZBQOSA-N 408.462 1.561 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)n2ccccc12 1858242594 BMYFRRRVPZSGQG-AWEZNQCLSA-N 423.454 1.375 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1nc(C)c(C(C)=O)s1 1872642730 YMBYYUAHLODKCN-UHFFFAOYSA-N 419.463 1.798 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(c4ncccn4)CC3)ncnc2n1CC=C 1873593813 ILTXOYPWPQMIGY-UHFFFAOYSA-N 404.478 1.650 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H]2OCC[C@@H]21 1880980027 LLZAIXDXRLDGQX-KKUMJFAQSA-N 402.403 1.908 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3c(C)nc4ccccn34)CC2)CC1 1889383929 XWVWBKOCWSFGLC-UHFFFAOYSA-N 423.561 1.905 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC[C@H]3C#CCN(C)C)cc2)CC1 1890825862 KOMHQGPYKVQTGY-OAQYLSRUSA-N 410.518 1.161 30 10 HDEE COc1ccccc1OCC#CCNC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1891588432 IVXSLOPLBVOBQN-MRXNPFEDSA-N 422.437 1.975 30 10 HDEE Cn1cc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2074370675 JJEITERUTJSCMR-YPMHNXCESA-N 413.320 1.627 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157013458 CFIKRNSOQJQCIZ-NSHDSACASA-N 403.331 1.337 30 10 HDEE CCS(=O)(=O)CC(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2189442474 UPTQVZRRFNTNJA-LLVKDONJSA-N 402.347 1.396 30 10 HDEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247834372 UWSZLGYCFZAWHW-UHFFFAOYSA-N 418.303 1.587 30 10 HDEE CN(CCCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247915124 WIHKGJJCUZXYTO-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247923464 YWZGRGXDPBCPHJ-UHFFFAOYSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247931057 KWRIOOKGVMUXLU-UHFFFAOYSA-N 422.331 1.842 30 10 HDEE C=CC[C@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)F 2258177169 ZDSATQUWPQRNSI-DYVFJYSZSA-N 420.434 1.885 30 10 HDEE N#Cc1cc(F)ccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270522697 PVYSGWZGOVAQAS-INIZCTEOSA-N 421.406 1.819 30 10 HDEE Cc1cc(C#N)cc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270522705 PXAKPRVFCXMOQK-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2SC(=O)C=C2C1)[C@@H](O)C(F)(F)F 2280098702 WXEJOPVMTFPJCN-ADEWGFFLSA-N 410.414 1.604 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCc2cnns2)OC1(C)C 2282413598 GYPMYUBDBPUETG-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493201 RYGKPDKORHPXFR-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE C[C@H]1C[C@H](O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282493394 SXELEUWZEDFELX-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N=[S@](C)(=O)CCN 2282499554 DKCCGPMVNDNEOZ-RUZDIDTESA-N 402.347 1.039 30 10 HDEE CCN(CCOCCO)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501924 DFQDVOYAYWVWSO-UHFFFAOYSA-N 405.347 1.067 30 10 HDEE CCO[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282503683 DJURBPCXEHGJKP-TXEJJXNPSA-N 402.347 1.429 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1 2282506653 VOCRILRAULBVAE-LLVKDONJSA-N 401.363 1.002 30 10 HDEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CS(C)(=O)=O 2282619238 QWMCJPPLTZNABX-UHFFFAOYSA-N 401.359 1.848 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840812 PUUHNUNFSSJPPD-OLZOCXBDSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3N)c(Cl)c2)OC1(C)C 2282844289 BABWVXXQJWQVEG-ZIAGYGMSSA-N 400.737 1.797 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CN 2282858292 UXVXKPVRAWNYSR-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE CNC[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866893 QIEUHTCRTJYTKT-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC(C)C[C@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876432 CZCPHDPNAGBKIH-CQSZACIVSA-N 403.375 1.874 30 10 HDEE C[C@H]1CC[C@@H](CN)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282878443 GEVFSOVQXCQSDQ-STQMWFEESA-N 400.375 1.795 30 10 HDEE C#CCN(CC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284416439 XYTCSIVBPTWMPV-UHFFFAOYSA-N 419.717 1.409 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@H](O)CC3)c2Cl)OC1(C)C 2284540906 GQHQJWHLABKHLZ-TXEJJXNPSA-N 401.721 1.659 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 2296608957 VEKXWVGKQLHWPO-QGZVFWFLSA-N 400.435 1.373 30 10 HDEE C=C1CC(CO)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316814337 ZWCXRYJSVXVIGK-UHFFFAOYSA-N 406.504 1.844 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365195776 FJDAULWPVBSYCS-YGTYGHESSA-N 400.541 1.433 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365201227 GRSKYSNYUYAJGR-BZUAXINKSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365245582 IQMZYDFRJANQKU-SCLBCKFNSA-N 403.497 1.588 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1 2367792247 MTFGISFBMNZISG-OWCLPIDISA-N 400.541 1.332 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2367795096 KTPAZAISFYKJND-CRAIPNDOSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367797399 MTINCXFFRQEDPE-AWEZNQCLSA-N 403.497 1.732 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCOC1 2367807571 VBJQFXJJUFLXLS-KXBFYZLASA-N 400.541 1.619 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367815696 FZLGGGTWUQJGPG-HNAYVOBHSA-N 400.541 1.307 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367825777 RYTNGBCGRPYAGG-RVKKMQEKSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CO2 2368945300 KDVMQRDJWSDPSZ-XMDUPGNXSA-N 400.541 1.460 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)NCCN(C)Cc2ccccc2)c2ccccc21 33268736 OLIOUAQCUXCRGV-UHFFFAOYSA-N 406.486 1.597 30 10 HDEE CC(=O)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101359083 JSHANEVQVKNTMY-NIQMNWOISA-N 410.473 1.355 30 10 HDEE COc1ccc([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC 102436246 OZQQBGGVKZDDPX-YWXUCKCNSA-N 404.463 1.711 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 410076488 ZBUVHLFTOOALPH-KSSFIOAISA-N 412.508 1.204 30 10 HDEE CN(C)c1ccnc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 432405202 WBZMVHDUKSFFQI-UHFFFAOYSA-N 405.466 1.936 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 439246230 LCSMJNVQROHYGO-RBUKOAKNSA-N 409.490 1.043 30 10 HDEE COc1nn(C)cc1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 474978014 QSAUBDNGCOUSBV-UHFFFAOYSA-N 412.429 1.962 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1C#N 489877050 WKKDZPDGFALCFV-HOTGVXAUSA-N 412.471 1.459 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)C3CC3)CC2)cc1OC 505937496 GDLXKPPVSGDMDM-INIZCTEOSA-N 407.492 1.523 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)c(OC)c1 535578179 BWELOGMQTJGIJM-LBPRGKRZSA-N 401.510 1.770 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(CNC(=O)c3ccccn3)CC2)ccc1F 537170127 YMCMRKRITKGGDI-UHFFFAOYSA-N 402.451 1.923 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)Nc2ccccc2)n(C)c1=O 542729773 RXIPYLDKHKATHT-UHFFFAOYSA-N 420.450 1.805 30 10 HDEE C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCN(c2cccc(C#N)n2)CC1 546917389 STXSKRMUAHGPNI-OAHLLOKOSA-N 413.503 1.506 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@@H]3CCCCO3)CC2)n1 549624751 FJEFVMZGKYMWSF-HKUYNNGSSA-N 423.521 1.944 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 549657799 KFOHAXAKBUETHH-KSSFIOAISA-N 413.544 1.239 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCc2ccccc2Br)n1 560987641 YZEVZKBCTXKQLD-UHFFFAOYSA-N 418.295 2.570 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)c1 582330669 DXOSHTFMLVZQEB-KRWDZBQOSA-N 413.455 1.929 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc(F)ccc1Br 584906853 BMQOKHWATWMMHE-PFONDFGASA-N 411.231 1.914 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N(C)CCCC)nc1C 586304356 PBBQGMOGKHWAHG-HHHXNRCGSA-N 415.537 1.740 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 614902678 IZNMOTXDOCSSLY-MRXNPFEDSA-N 412.511 1.826 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccc(Br)cc1 727447968 CTMVHUQXFKYOEK-XKOZXHHJSA-N 418.334 1.872 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730140853 HWMWWGVPQBTEDH-QGZVFWFLSA-N 406.552 1.949 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 730312466 PYHZKFNTPNCSMG-HNNXBMFYSA-N 413.459 1.537 30 10 HDEE COc1cccc([C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)N2CCCC2)c1 733886071 GHAIHMAHCSAYAF-ZREAOVPFSA-N 412.490 1.865 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccccc1Cc1ccccc1 737304963 DOHACUKMSOWZPB-MRCUWXFGSA-N 418.453 1.859 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 744940385 DGFAIGZIFMTMBT-MAUKXSAKSA-N 415.490 1.930 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCN(c3ncccc3C#N)CC2)C1 748019801 TVQIMOJYCPKMOH-UHFFFAOYSA-N 401.467 1.238 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3ncc(I)n3c2)CCN1C1CC1 749387379 FIHZVWOYRVDJRF-CYBMUJFWSA-N 421.242 1.751 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(Cl)c3F)CC2)n1 760852942 KDQGYWKAFCLFBP-UHFFFAOYSA-N 423.857 1.356 30 10 HDEE CCn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 769856600 ZGCSFNFMVVDCGG-CYVLTUHYSA-N 411.509 1.517 30 10 HDEE COCCN(CCC#N)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771585123 LORHQRQXEUJELE-HXUWFJFHSA-N 402.451 1.159 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(c2nccc(C)n2)CC1)c1cc[nH]n1 772549700 UUOAXTFLSSPANM-UHFFFAOYSA-N 400.439 1.198 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774233171 GTAYYJOEVWHDHD-QZTJIDSGSA-N 403.504 1.322 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 775238764 VRHOHVYQTLCUDA-IRXDYDNUSA-N 423.558 1.404 30 10 HDEE CC(C)[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 777177608 NPXLAKJORCDLPB-SJORKVTESA-N 404.488 1.726 30 10 HDEE Cc1cc(C)cc(-n2nc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2C)c1 777247971 ITEXNMSEPVDURX-LJQANCHMSA-N 406.490 1.935 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 780938302 HWPYOPOQTWNQPF-AWEZNQCLSA-N 405.398 1.269 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)n1 789178386 XADRYHKTEYJDJD-HXUWFJFHSA-N 424.505 1.261 30 10 HDEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)c1ccnc(C#N)c1)CC2 796688709 IXGREKAMGVURIP-UHFFFAOYSA-N 402.432 1.003 30 10 HDEE COc1cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccc1C#N 812251418 SNYRPCBFXLSTJH-UHFFFAOYSA-N 412.471 1.702 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812429710 UKZVPELUVMQIAP-SJORKVTESA-N 415.519 1.312 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccc(F)cc1 812889169 NMPPDDCQVRTWFJ-SFHVURJKSA-N 419.482 1.386 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 816994314 NYLUUICMSLEPLS-QPJJXVBHSA-N 411.487 1.687 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)n1 856586365 GOVKRQPXQBUJOI-QGZVFWFLSA-N 410.883 1.915 30 10 HDEE COCc1nnc(CSc2nnc(NN=Cc3c(C)nn(C(C)C)c3C)n2N)o1 1084216050 VNGFMMBTOQLLOL-UHFFFAOYSA-N 420.503 1.654 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1133220589 URFOJIYUNYJWFI-BEFAXECRSA-N 415.556 1.730 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1134996722 QOXJSSDAWPUVBE-CZUORRHYSA-N 402.394 1.905 30 10 HDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)NCC#CCO 1139145856 RTHZVNMAXBSHHD-CQSZACIVSA-N 402.310 1.154 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC1(C#N)CCN(C)CC1 1144003324 JEMCVQYCYYAMFY-MRXNPFEDSA-N 409.531 1.146 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(CC)C(C)=O)nc2)c1 1147044214 CDUMYXZKDVWLMS-UHFFFAOYSA-N 400.460 1.618 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOC1 1149498308 QJAYNICACKZQSS-BANHHRGYSA-N 407.467 1.222 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OC)Cc2ccccc2)cc1 1158475925 MGDOAQBCALXXPW-SFHVURJKSA-N 414.483 1.502 30 10 HDEE C[C@H](CC#N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1161792650 NZYPSLBQCSGATJ-OIISXLGYSA-N 419.526 1.930 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)CC2CC2)c1 1167749672 VHJOVHHCVCLBTJ-UHFFFAOYSA-N 407.536 1.335 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCn2cncc21 1168292997 KKWWLFRHRXOSSM-HNNXBMFYSA-N 401.492 1.743 30 10 HDEE Cn1cncc1[C@@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1168349199 JFEUIJVSLPUZTO-CQSZACIVSA-N 404.268 1.340 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](C)[C@@H]2CCNC(=O)OC(C)(C)C)CC1 1195778073 OOIMBFJMSQOBFK-OALUTQOASA-N 406.571 1.779 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cccc(OCCN(C)C3CCOCC3)c2)CC1 1221721270 BZMYUHIHIKXFLW-UHFFFAOYSA-N 415.534 1.846 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CCCO2)cn1 1251446281 LDRZQSPQYHWGTM-RXVVDRJESA-N 409.494 1.979 30 10 HDEE N#CC1(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)CCOCC1 1251559550 JYTZQEUCCYYDDE-IUODEOHRSA-N 409.430 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1nnc2n1CCCCC2 1286438189 CNXRVUHLPGCIQI-UHFFFAOYSA-N 401.478 1.564 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCC[C@H]1C 1286457093 GEPCAHJVMQCPJS-QIJUGHKUSA-N 420.554 1.956 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@@H]1C 1286460856 KRRVRPNZNIJXIY-HRAATJIYSA-N 412.494 1.563 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(OC)CCCC2)CC1 1286470986 FHLSAYCDFDRIDE-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(COC)CCOCC2)CC1 1286479363 GYPBIVCBSIWXFY-IBGZPJMESA-N 417.554 1.718 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC1 1286516317 FXECSNHKWWXMCO-QFBILLFUSA-N 408.572 1.366 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1286612702 XAGRWDOKNLUPSV-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1286689023 WHVDNEDCLPEFCA-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C)C1 1286782881 BZNAIXAJWLDPJY-HNNXBMFYSA-N 407.482 1.459 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1286792594 CPCNPCOPQXELJX-KRWDZBQOSA-N 403.458 1.834 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCOC2)C1 1286807789 RBKGVUZRNZLMSS-LAUBAEHRSA-N 402.470 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC(C)(C)OC(C)(C)C1 1286824174 WKDJLPWOXRNIQQ-UHFFFAOYSA-N 400.545 1.809 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1288212182 DVEGVNVATMYNIK-HXUWFJFHSA-N 414.535 1.646 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1)C(C)C 1289142655 FSMXUFQIGXOTOQ-UHFFFAOYSA-N 408.520 1.975 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1294691320 SVNBPNULUMNPLG-GOSISDBHSA-N 422.323 1.813 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 1295020327 RRSYAHJURONCKN-MOPGFXCFSA-N 423.510 1.621 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1296605631 HZWYALNPRCVMMF-WOJBJXKFSA-N 422.505 1.534 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(OC)c(OC)cc1I)C(=O)OC 1299179339 POTLQRPDRIJKGT-LLVKDONJSA-N 417.199 1.603 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300302384 AKMHSPZSARLOPF-DZGCQCFKSA-N 402.499 1.554 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300357259 KUFPBKLZAKANKD-ZWKOTPCHSA-N 411.510 1.827 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300473351 SQPQWUCHADWWMK-GOSISDBHSA-N 422.489 1.293 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1300488428 RNCKUQXQVQDBTO-MRXNPFEDSA-N 419.551 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCCCC2)CC1 1300697664 GNUGLPZDZIJKDA-MOPGFXCFSA-N 413.570 1.106 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H](COC)OC)CC1 1300722894 NGQBGBHTMUKEMU-GOSISDBHSA-N 403.527 1.563 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300755631 ZFQGBLGLMZYJFB-CQSZACIVSA-N 406.537 1.115 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1301118821 KDWSVHJSONJRPO-IBGZPJMESA-N 405.524 1.236 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301429358 ZBSBTOULJGHDDV-UGSOOPFHSA-N 409.487 1.311 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nc(CC)ns2)CC1 1301475491 TUNVXICGMPJUBA-HOCLYGCPSA-N 419.555 1.929 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C)(COC)CC2)nnc1[C@]1(OCC)CCOC1 1301519098 MMVVBHPLDFRWJX-NRFANRHFSA-N 421.542 1.485 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1302971010 PQIRYSWWZDQACL-FUHWJXTLSA-N 414.485 1.689 30 10 HDEE N#Cc1c(NC(=O)CN2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc2c1CCCCC2 1307873478 FOJZLOIAZYZDJF-IBGZPJMESA-N 423.560 1.717 30 10 HDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)C(C)C 1308097314 DNRZWQCUJQAOSY-UHFFFAOYSA-N 413.927 1.643 30 10 HDEE Cc1nc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)c(-c2ccccc2)s1 1309695839 BGPZQIWYGUSNMQ-UHFFFAOYSA-N 417.472 1.231 30 10 HDEE C#CC[C@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312117109 JLCKGQMZRVOVNS-YLJYHZDGSA-N 416.499 1.872 30 10 HDEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)N1CCC(C#N)(C(=O)OC)CC1 1312341483 CXXSLEPEWTWXBK-OAHLLOKOSA-N 407.492 1.727 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C1CCOCC1 1313043265 OJTICBBDVGGHOH-LJQANCHMSA-N 419.547 1.748 30 10 HDEE CCOCc1nnc(N2CCC[C@H]2C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314371006 NATYYJNFJZWPNO-IJYGLTAASA-N 402.499 1.966 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1 1314551143 JPOBXIJYBXXHLX-IBGZPJMESA-N 419.555 1.743 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H](C)O1 1315929117 BOMYPIDNSRSVPH-PBHICJAKSA-N 408.466 1.234 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CCO1 1315936931 NOWYYAGZSKQWCK-GOSISDBHSA-N 417.535 1.784 30 10 HDEE C=CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1 1325224486 YCDMULAPMSSDEJ-LSDHHAIUSA-N 411.524 1.549 30 10 HDEE C#CCN(C(=O)c1cc(Br)c2nccnc2c1)[C@@H]1CCS(=O)(=O)C1 1352905463 PIEYDIXZCGNUHA-GFCCVEGCSA-N 408.277 1.655 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1358880382 KZSPKSVDVSFULE-HUUCEWRRSA-N 418.519 1.855 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cn2ccccc2n1 1358970212 IMRIOPFHAOTPQW-HSZRJFAPSA-N 418.501 1.893 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1358970660 UTFQZWPYHRNESF-NRFANRHFSA-N 411.510 1.398 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1OC 1359026693 HUGBQSABMCNFOK-UHFFFAOYSA-N 409.494 1.678 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359045366 FCZOANMPNLYKJF-ZWKOTPCHSA-N 417.554 1.372 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359289371 ZQEUCADZNBQJFA-CQSZACIVSA-N 400.487 1.161 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359299794 NOCQCFBIDIBSFF-WBVHZDCISA-N 413.526 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC2CC2)C1 1359318529 GXWBAKRTDKDQIO-QGZVFWFLSA-N 419.551 1.890 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2Cc2cnn(CCOC)c2)C1 1359319031 REALZIUCGRMROX-SFHVURJKSA-N 411.510 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359326502 BPQRUQLDAMTLET-DOTOQJQBSA-N 411.572 1.697 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC(C(=O)NCCCO)CC2)c1 1445940937 DRYHANLICOJBQO-UHFFFAOYSA-N 421.501 1.916 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1)c1cc[nH]n1 1450437129 POHCRKNRXHMVIY-QRWLVFNGSA-N 418.425 1.020 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CCN(C4CCCCC4)C3=O)CC2)cc1 1459746955 DWQUSCBAOIZSHN-HXUWFJFHSA-N 416.547 1.798 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1461243981 SVFPBZMZHVVPHJ-KBXCAEBGSA-N 413.865 1.898 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CCO1 1463090608 MSAUEWHMIHGLIQ-GOSISDBHSA-N 413.446 1.507 30 10 HDEE CC[C@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cs1)C(N)=O 1464746435 CGUWXQOOQLGYPW-GJZGRUSLSA-N 409.581 1.734 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1467318589 GBDMQLPZEFJFLG-UHFFFAOYSA-N 421.457 1.789 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)ccc2c1=O 1467806737 CRVSNDRUUOCGLW-CABCVRRESA-N 400.504 1.152 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2ccc(C(C)C)cc2)CC1 1468753463 BEXMKYQSKKNZHF-UHFFFAOYSA-N 406.552 1.537 30 10 HDEE C#C[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)(C)C 1471320579 QXZFBKIQAQMGBF-HUUCEWRRSA-N 415.556 1.758 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC[C@@]2(CO[C@H](C)C2)O1 1479361599 ODDSSDXHBJCMJV-QCBUCWTNSA-N 400.483 1.295 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 1494235742 JMUHZYZPYXSURK-HUUCEWRRSA-N 403.508 1.865 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1503364899 LEGIEEOQRMLOLR-QZTJIDSGSA-N 421.505 1.400 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1507613820 SFWGATWAPLBMBY-ZDUSSCGKSA-N 408.384 1.683 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1507651658 ARXVRUGTDXYJRB-SFHVURJKSA-N 411.531 1.367 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)CCO2 1507656003 BJIXOCWJXRVXTI-UHFFFAOYSA-N 403.486 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1507659012 KCSXNXPPAMBFGJ-XMSQKQJNSA-N 411.506 1.315 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CCCO2)CC1 1507716868 VGPPCMSLZWHVAO-OAQYLSRUSA-N 402.543 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(CC)CC)CC1 1507738018 FSECUHTWOIYDDG-IBGZPJMESA-N 416.570 1.480 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507843965 ZPRMFYSGEJBLAL-OWCLPIDISA-N 402.499 1.069 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)F 1508425776 CCNNXMNXRHULTB-GFCCVEGCSA-N 410.400 1.973 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1509952206 ZDEIEBMBPHVPIS-AWEZNQCLSA-N 418.448 1.744 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)CC1 1510290444 RZNDBYVXHYTRFM-UHFFFAOYSA-N 406.556 1.760 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1514205199 UYULXRWUPAABAF-BDUNBXCCSA-N 422.555 1.707 30 10 HDEE CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1515472559 MUXFFGNKSYCYTO-WCZGFUKNSA-N 424.505 1.981 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1517398456 OLNOOZGYULSJNS-HNNXBMFYSA-N 415.498 1.927 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1518744636 CDMLNUJLSCJRTC-RDJZCZTQSA-N 400.458 1.893 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(COC)c1 1519332265 XTGBYOJKYOMXND-VQIMIIECSA-N 415.494 1.926 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnccc1OC 1519449867 NGWYDLSHUFTMMG-ZVZYQTTQSA-N 414.466 1.183 30 10 HDEE C#CCN(C(=O)c1cc2c(cc1Br)OCO2)[C@H]1CCS(=O)(=O)C1 1520935647 UQIZEDPRSVWRLV-JTQLQIEISA-N 400.250 1.440 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2csc(C#N)c2)CC1 1529157282 GCERSILENGWPRO-UHFFFAOYSA-N 404.517 1.486 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncccc2CNC(=O)OC(C)(C)C)C1=O 1533243531 GWBXSFIAVFEYFQ-UHFFFAOYSA-N 417.422 1.022 30 10 HDEE CN(CC(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)S(=O)(=O)c1cccnc1 1535588102 UCKOOXWWFAARNU-UHFFFAOYSA-N 410.459 1.457 30 10 HDEE COc1cc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(OC)c1OC 1537005578 JANCEQSIRJCAHI-IFXJQAMLSA-N 408.476 1.042 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N(C)C)CCSC1 1539038580 RWIJPBRWCJFNQT-NHAYFPRASA-N 407.584 1.897 30 10 HDEE Cc1cc(Br)c(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1539126889 XIVQDEKXFHZYIM-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCC(OC)CC1 1539266862 TYDGLMAFGPGVTJ-JLAWEPINSA-N 418.563 1.848 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1539286058 UCENPMCMHRBMCQ-QGZVFWFLSA-N 421.526 1.858 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1 1539323711 JTCGUMAJFOMJQE-SFHVURJKSA-N 412.515 1.700 30 10 HDEE C=CCOCCCNC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1539347344 WLBISSHUBCVEMG-UHFFFAOYSA-N 404.529 1.510 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2)CC1 1539446339 WXTLVNKDNVXZOI-GOSISDBHSA-N 414.460 1.505 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)NC(C)(C)C 1539533796 UXVDESBQCUZCSY-RDJZCZTQSA-N 423.583 1.719 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 1539557090 LIRROAQLWOTQKZ-DBXWQHBBSA-N 419.595 1.904 30 10 HDEE COC(=O)c1ccc2c(c1)N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1539672544 VLWJOMGSGRAHIT-UHFFFAOYSA-N 413.455 1.868 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)n1C)c1ccc(S(C)(=O)=O)cc1 1540042871 FSCRWNJYZZZAKH-IBGZPJMESA-N 403.460 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)nn2C)C1 1540896646 QJUVOGKSIIUNMO-UHOSZYNNSA-N 416.526 1.874 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540901864 RRGRBEYTPDPIHQ-DNVCBOLYSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540907617 CNPIDVKIPYFTAK-NVXWUHKLSA-N 420.539 1.458 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540914527 APLRDCGNQNIKAN-GDBMZVCRSA-N 401.540 1.876 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1541725386 IEUVLJRVBQLRQP-KFKAGJAMSA-N 409.462 1.176 30 10 HDEE C#CCN(C(=O)c1nc2ccc(Br)cn2c1F)[C@H]1CCS(=O)(=O)C1 1542211410 WXPSXXMUJLXTLQ-NSHDSACASA-N 414.256 1.498 30 10 HDEE C[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1544428689 WUIFGVJWYVINTD-DNTCVELPSA-N 407.478 1.637 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1546254498 MWLVWJGXJZJHLB-CZIZESTLSA-N 400.435 1.225 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@@H]1C 1547637753 ARFBROMBLQRALC-JKSUJKDBSA-N 405.510 1.912 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1555252192 WPNQYOGFYQNRJK-LAUBAEHRSA-N 410.478 1.195 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1556375847 UJDOEMJHVUNTCE-JXFKEZNVSA-N 408.426 1.598 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)CC1 1558422657 HOIYLMNKTHVPSI-MRXNPFEDSA-N 406.552 1.273 30 10 HDEE Cn1nccc1CN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1558820623 PSGGCOGDYWWUEN-UHFFFAOYSA-N 415.519 1.456 30 10 HDEE Cn1c(S)nnc1CCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1569670505 PYZQRABGHJTSNF-UHFFFAOYSA-N 407.540 1.803 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1cccc(OC)c1 1584045112 JMWYAYKBHCYLCE-QGZVFWFLSA-N 403.479 1.848 30 10 HDEE C=CCn1cc(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nn1 1585555484 LKMSJSKUSDBPOW-UHFFFAOYSA-N 418.251 1.529 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1586326652 WGJLPHBEYNLENW-LJQANCHMSA-N 412.490 1.050 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1CCCO 1587683205 DVVMSSZIYUEYFB-VJANTYMQSA-N 405.543 1.307 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)CC)c1 1587689856 RMQBBFFTSMCTOF-UHFFFAOYSA-N 419.489 1.808 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587965586 KXZUWVQCFGWQDR-MRXNPFEDSA-N 403.494 1.910 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2OC)n1CCC)[C@H]1CCS(=O)(=O)C1 1588064423 HZGSEJVNLJWWQX-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 1588146266 ZUMNIFWEQAGACH-ZIAGYGMSSA-N 402.517 1.066 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCc2nccn2C1 1588158528 FXRBUIUOCLIBAC-IBGZPJMESA-N 402.506 1.672 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1NC(=O)CO2 1588160552 XRVQQNJYMCKYBI-LLVKDONJSA-N 400.416 1.195 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1588228618 HUERMHMASFPICH-RTWAWAEBSA-N 412.582 1.661 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](n3nncc3I)C2)ncc1C#N 1588403764 LNNQDNGTMYZRJY-LBPRGKRZSA-N 422.230 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCOCC1 1588672539 DQIGJOQERBXWRZ-UHFFFAOYSA-N 405.524 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCO[C@H]1C(C)C 1588672980 JOCKOJZXKUCXJX-NQIIRXRSSA-N 417.554 1.938 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2Cc3ccccc3O2)CC1 1588733723 YXGKSIUUMMNVER-GOSISDBHSA-N 408.506 1.175 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1589069283 JNGFXXRCROXYHY-OAHLLOKOSA-N 404.540 1.142 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(O)CCOCC1 1589258966 FYBKMGQPQBLCCC-BBTUJRGHSA-N 418.538 1.926 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)CC1 1589558988 NEYOLDJNBRVZDH-CTNGQTDRSA-N 410.522 1.914 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1593763339 HHGDZAAFJPSFOV-OALUTQOASA-N 418.542 1.973 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1594497794 MJKLTIVBXZPHQP-IAGOWNOFSA-N 423.583 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C[C@H]1CCOC1)C1CC1 1595784798 KUHYJJRISBBTQY-OAHLLOKOSA-N 405.524 1.879 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1603496911 ADWIOCLWVCYXAY-LJQANCHMSA-N 420.514 1.897 30 10 HDEE CC(C)CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1607195200 QBVFOTHKLGTPHL-KRWDZBQOSA-N 404.515 1.696 30 10 HDEE C=CCCn1cc(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1 1611000958 NOHPYHIUNGSBHG-UHFFFAOYSA-N 402.886 1.586 30 10 HDEE Cc1c(C#N)c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nn1C 1611161976 SWCMPDRZDYIQST-INIZCTEOSA-N 401.492 1.781 30 10 HDEE C[C@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCS(=O)(=O)C1 1616233005 BUXCLRNGUATTBR-NSHDSACASA-N 401.282 1.593 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCC2CCC(C#N)CC2)C1 1617718271 VCEUYYNNFXWEGC-GPANFISMSA-N 413.540 1.857 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1620077123 GCKYIPCYDWSWFE-SFHVURJKSA-N 413.478 1.869 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2C[C@@H]2CSCCS2)CCO1 1620355164 HCACWUFHMHQJCR-HZPDHXFCSA-N 402.549 1.841 30 10 HDEE C[C@@]1(C#N)CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1620441569 SFHISWSAIRJOFN-NRFANRHFSA-N 416.547 1.986 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CN(C(=O)OC(C)(C)C)C1 1620995159 JKROMGCRIGHKOI-OAHLLOKOSA-N 417.510 1.763 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@@H](COC2CCC2)C(=O)OC)c1 1621922679 ILGBYCMBWIXHSH-KRWDZBQOSA-N 410.492 1.334 30 10 HDEE CC(=O)NC[C@H]1CCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1623688625 JNBCSWOMQXGPHJ-QZTJIDSGSA-N 411.462 1.280 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)n1 1626713276 FJNYMNUOWKYLFY-OTWHNJEPSA-N 416.522 1.994 30 10 HDEE C#CCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628385294 NFRICOLDBYCMJH-AEFFLSMTSA-N 410.561 1.417 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268589 NHTHADLAMNYNJS-INIZCTEOSA-N 403.483 1.532 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@H](O)C(F)(F)F 1629499047 ICHPOVMGBSDRBG-OSMZGAPFSA-N 421.441 1.712 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1630751732 TYUJKONKDCNLAF-SQNIBIBYSA-N 421.538 1.779 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 1631222903 ZYNZJSPEQAZDAF-WBVHZDCISA-N 405.470 1.893 30 10 HDEE C=CCC1(O)CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 1635151509 GNSGBHSGMMXFAI-UHFFFAOYSA-N 405.520 1.777 30 10 HDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1635200552 DXMZDNUNOWAUGC-UHFFFAOYSA-N 421.400 1.681 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)CCC1 1636122592 IWILXNYBRIZNAS-QFIPXVFZSA-N 423.473 1.637 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 1636471037 HOXSQBDISWWOAI-KBXCAEBGSA-N 415.519 1.611 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1639638458 WCAZSPUGFNKATR-DLBZAZTESA-N 411.549 1.519 30 10 HDEE CCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCc2ncsc2C1 1639810079 IPPIPYOYGQXMLC-AWEZNQCLSA-N 401.492 1.853 30 10 HDEE COC(=O)c1occc1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1640715341 KABPUMHKSZJMBH-NSHDSACASA-N 405.432 1.200 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCOC1 1640750550 BUBTWGZTADVKDP-WMZOPIPTSA-N 401.463 1.655 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OCC 1640862980 CNYOOPRQEIGBKR-MRXNPFEDSA-N 410.492 1.176 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OCC 1640864185 RCSIQLFPAQIOQG-CYBMUJFWSA-N 403.391 1.876 30 10 HDEE N#Cc1cccc(C(=O)NCCN2CCN(c3ncccn3)CC2)c1Br 1640968428 BAUAMWNNSWWLJW-UHFFFAOYSA-N 415.295 1.663 30 10 HDEE N#Cc1nn(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1[N+](=O)[O-] 1641302661 XZKOPOZXKZCFIZ-CYBMUJFWSA-N 408.296 1.969 30 10 HDEE N#Cc1cnc(N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)c([N+](=O)[O-])c1 1642229862 SJGRUPLMHWIUEH-AWEZNQCLSA-N 405.411 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1643241166 GFCUJWKPZIIRQH-GJZGRUSLSA-N 408.499 1.063 30 10 HDEE C=CCN(CC(=O)NC1CCN(C(C)=O)CC1)[C@@H](Cc1ccccc1)C(=O)OCC 1645290995 POISBFIIEDFJLQ-NRFANRHFSA-N 415.534 1.776 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)CC1 1645873348 WOFPLWAJUMFPQO-ACHSLPGTSA-N 414.462 1.803 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H]2COCC[C@@H]21 1647779154 AZEYMCNIAGKLDT-YESZJQIVSA-N 421.519 1.300 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](O)c3c(C)nn(C)c3C)ccc2c1=O 1648002354 LYEIEOVKPCRVJG-MRXNPFEDSA-N 413.503 1.685 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3ccc(N4CCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1648503674 QXBDPHICUVEDOW-OXJNMPFZSA-N 402.520 1.486 30 10 HDEE N#Cc1cccc(Br)c1N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1652296993 DNMDFPOQSHWZAE-BGMSHATGSA-N 412.309 1.944 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@](C)(C#N)C1 1652916067 FSNGXSRRDLZJNI-YOEHRIQHSA-N 415.512 1.367 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CCOCC1 1653178807 NECYIAYZGGFNJL-SFHVURJKSA-N 421.925 1.934 30 10 HDEE CO[C@@H]1C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cc3)Cc3cccnc3N2C1 1654503614 ODLSWUGLPFZBBD-RTBURBONSA-N 412.515 1.836 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2C)n1 1663144603 MMATZMSSIXVLJN-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE N#CCCN1CCN(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)CC1 1666526902 GJURAJOFJOPISK-UHFFFAOYSA-N 411.462 1.968 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)C[C@@H]2CCCO2)cc1Br 1671560827 GTGCOFKKEPBICJ-MNOVXSKESA-N 407.261 1.668 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)C1 1681072097 TYFTYILKVIBLLN-FDDCHVKYSA-N 423.517 1.808 30 10 HDEE C=CCN(CC=C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685136544 TXORUGBIKBZREQ-HNNXBMFYSA-N 401.529 1.794 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)n1 1687815354 LIABMXURVXZGOG-UHFFFAOYSA-N 403.508 1.644 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984488 QEUDSZQAWZBZMW-GOEBONIOSA-N 405.524 1.423 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1690008740 NAFHDPCEHXQUDB-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1690015385 KPVHVMBDCAQOGA-UTKZUKDTSA-N 411.893 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCn1cc(Br)cn1 1690017822 MORDOXNMQCWUGW-HNNXBMFYSA-N 417.311 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CC(OCC)C2)CC1 1690124540 NXMQGTNOWNCLPO-WBTXTPOCSA-N 403.527 1.205 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690508737 OIYUNWPRLLEVRC-INIZCTEOSA-N 418.542 1.932 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1690693551 CQBHHXAOZXYASV-DLBZAZTESA-N 419.551 1.890 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1693552168 JGBJLTYYSPBFMR-ZDUSSCGKSA-N 404.421 1.765 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696281833 HZWWPAIMKUIYKE-ZWEUNIGQSA-N 418.498 1.202 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1697988047 LEZHZUKJSYEEES-SFHVURJKSA-N 411.510 1.097 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H]2CCN(C)[C@@H]2CC)CC1 1705363472 IUUAFVIMADFXDR-XITVERIXSA-N 413.562 1.593 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705508278 LTJQXPUJPKLNPR-INIZCTEOSA-N 409.494 1.786 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1705571263 XYRFFZCMXSHPCQ-RDJZCZTQSA-N 419.576 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(=O)C(C)C 1705578137 HROMDWBTEYBOGH-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nccs1 1705582531 CRZNIMKWKYUFTP-HNNXBMFYSA-N 403.533 1.342 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1CC1CCS(=O)(=O)CC1 1705589916 XKCGXEUBSFCMIX-QGZVFWFLSA-N 422.551 1.290 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N(C)C)CCC2)CC1 1705634736 HOZAQZVGLHKJHW-GOSISDBHSA-N 404.559 1.242 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1705652656 HYFLHNVBOZWFIF-KRWDZBQOSA-N 421.567 1.511 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705688979 WNHHRIOCCIHZDW-HZSPNIEDSA-N 410.316 1.748 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705817259 FYQDZSTWJZXETQ-KRWDZBQOSA-N 418.542 1.312 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@@H]1C)C1CC1 1705856352 PTBSHXGTDXNEKB-LNLFQRSKSA-N 405.543 1.878 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C2CCC(C)CC2)CC1 1705908418 PFCIUFFAEMLDHM-UHFFFAOYSA-N 404.559 1.818 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@]1(OCC)CCOC1 1705939069 RCUZGPXWQSVOTH-KRWDZBQOSA-N 410.500 1.008 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1706831899 BTDDEHXOKLMKSJ-CQSZACIVSA-N 403.508 1.601 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1708255154 HUDPMDTXZRRPGU-FXAWDEMLSA-N 410.522 1.889 30 10 HDEE C#CCCCC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1719662016 SSLUVNCJNOYFLM-KKEPMVJESA-N 400.519 1.727 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCS(=O)(=O)CC=C)c1 1722307663 SSJAYDDHSIFJST-UHFFFAOYSA-N 415.519 1.498 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1722329735 NCYFIMHKPDIXEB-UHFFFAOYSA-N 412.494 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCCCC1 1722389973 OGZOJVSZEQXHQX-KRWDZBQOSA-N 421.567 1.701 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)c1c(C)noc1C 1722426573 DTCLZHMZOKRUNU-HNNXBMFYSA-N 414.510 1.895 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@]2(C)CN(C)C2=O)n1 1722430141 YKVIZLILCGWVNM-OAQYLSRUSA-N 411.510 1.117 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCS(C)(=O)=O)CC1 1722433224 PVVYQEBIUCHQRH-UHFFFAOYSA-N 407.927 1.398 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722454118 JCQNKYQBNWSTBD-KRWDZBQOSA-N 415.544 1.806 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722528993 RQYNTFPKSLNLOR-QGZVFWFLSA-N 403.483 1.781 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1722675247 YROYYGHSNFFWLO-HXUWFJFHSA-N 416.482 1.370 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1722707089 GHYQUWASKFRJLC-DLBZAZTESA-N 408.462 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722728035 NDRYSLFSKNCNKY-GJZGRUSLSA-N 409.556 1.182 30 10 HDEE CC(C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723038968 RADCNVKURVLOTQ-KRWDZBQOSA-N 411.466 1.801 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)COCCO1 1723187349 XBMVQXJLMZAJIT-OAQYLSRUSA-N 411.510 1.800 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1723778653 HPFDNHQJJFKBOY-OLZOCXBDSA-N 405.471 1.590 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1724010312 IIMKOTPVYKFYMT-KKSFZXQISA-N 422.493 1.382 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1726722043 CDOGPJIHMQSUHZ-ZDUSSCGKSA-N 420.420 1.335 30 10 HDEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1728129976 UWVHTCWWDLUPGU-WMZOPIPTSA-N 422.599 1.898 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CC#N 1729226307 MNGAOWTVLNHSDG-GFCCVEGCSA-N 411.557 1.312 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730486964 FDUXQHGXMGJWMM-CJNGLKHVSA-N 416.457 1.692 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1740533917 VRBPCDOCYJQLIZ-UONOGXRCSA-N 421.571 1.253 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1740650151 QOOLQDCEMVKBIA-UHFFFAOYSA-N 402.458 1.138 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1740650619 HOXCXPWIJQJWIQ-GAJHUEQPSA-N 424.501 1.965 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1740682167 MDDLKSBHNGUUFT-UHFFFAOYSA-N 406.490 1.948 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740887586 KEZYDDTUMQHALG-IEBWSBKVSA-N 404.559 1.422 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1743410975 XLJPJIZOIBMZAC-HNNXBMFYSA-N 408.466 1.687 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1745895841 DNEZERWGQPQREZ-INIZCTEOSA-N 418.885 1.718 30 10 HDEE CN(C)C1(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1747567551 HKIHKXVFOUJHGE-FQEVSTJZSA-N 413.501 1.817 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748649923 UZPPJDFYRZLSOR-IAGOWNOFSA-N 411.506 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1748686607 SIZMCELBPCHHSS-OAHLLOKOSA-N 416.507 1.126 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1748708024 RUSTUINESXDECY-QGZVFWFLSA-N 407.478 1.616 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC(C)C 1748766120 GFVJOAHXNBFKIK-UHFFFAOYSA-N 416.913 1.846 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1748772889 QGTIJYKPUPJSFE-OAHLLOKOSA-N 413.507 1.192 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N(C)C 1748948802 WTVXIVIMEJXIRP-FQEVSTJZSA-N 424.549 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)C1CCCCC1 1748948804 WUGCOBIRVBAETP-UHFFFAOYSA-N 418.542 1.293 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1749208926 GDLSGQQLODHADT-HKUYNNGSSA-N 405.543 1.879 30 10 HDEE COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1749306888 CDGAWLWKEHIXFM-WBVHZDCISA-N 424.509 1.105 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749374096 YHVFYVNVUUDEHY-CVEARBPZSA-N 416.526 1.938 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 1749683313 OYNLIFPRAHFCIL-SFHVURJKSA-N 419.551 1.965 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccn1C(F)F 1750006955 JQUQTFXKDONHEA-CHWSQXEVSA-N 411.413 1.371 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCCNC(C)=O)c1 1760128291 DQKGNXYKOLHNEE-SFHVURJKSA-N 424.505 1.364 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)nn1C 1760170667 LHRSKYPWVFCRKF-UHFFFAOYSA-N 412.523 1.398 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1Cc1ccc(N2CCOCC2)nc1 1760222118 XITCNRGLRAMXFE-UHFFFAOYSA-N 404.518 1.973 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)CC1 1760423712 JISRIOSBWRNJQH-UHFFFAOYSA-N 412.523 1.846 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccco1 1760516478 OICJORJXNHVCIM-KGLIPLIRSA-N 422.511 1.125 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760524002 MSTPTVSEGULQJM-MCIONIFRSA-N 417.432 1.630 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760528694 KFLBUWNTFJHMGC-DLBZAZTESA-N 414.514 1.482 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1761269736 CQGLCNDFSGHSGV-KRWDZBQOSA-N 407.475 1.110 30 10 HDEE Cc1noc(C)c1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1762665647 OBEOSZGZARWUQG-UZLBHIALSA-N 416.482 1.701 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1767420702 GUDDXMNGLJKMSH-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1767561837 DVXZDFVCNZOAGL-CKFHNAJUSA-N 408.478 1.216 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)cc1 1772791722 XVCNDFRVFAYRDM-NRFANRHFSA-N 423.381 1.217 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1772792075 GJWUPGDVJNFULY-UHFFFAOYSA-N 422.365 1.774 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 1848998018 ODWBIHMHAVVMCJ-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE CN(C)c1ncc(C(=O)NCC2(C#N)CCOCC2)cc1I 1851098414 LPQINXRJMZAWML-UHFFFAOYSA-N 414.247 1.802 30 10 HDEE CN1CCN(c2nc(NC(=O)c3ccc4c(c3)ncn4C)c(C#N)cc2C#N)CC1 1851347316 HSIUMXYMVJLCMV-UHFFFAOYSA-N 400.446 1.716 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)CC2)n1 1851779807 KKSYWQYDIJBFFA-CQSZACIVSA-N 410.865 1.703 30 10 HDEE CN(C)C(=O)COc1ccccc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851782610 UDEDROYMZVFYSI-UHFFFAOYSA-N 421.397 1.638 30 10 HDEE COCC(=NOCc1ccc(F)cc1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853551846 ZJSXRJNNPYJCDO-UHFFFAOYSA-N 407.423 1.775 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O 1854184866 BYCZZZYJLDFFIL-KBPBESRZSA-N 410.396 1.560 30 10 HDEE CN1CCN([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)[C@@H](C2CCOCC2)C1 1854215397 YIJVJDHFYJNXRK-LEWJYISDSA-N 410.518 1.271 30 10 HDEE CC(=O)N1CCC[C@@H](CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@@H]2C)C1 1854721903 BFJDBHDDSVQGQF-UWJYYQICSA-N 410.518 1.809 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)n(C(C)C)n1 1854985093 JOYUHKINJDYACN-MSOLQXFVSA-N 400.527 1.823 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCCN([C@@H]4CCOC4)CC3)CCC2=O)ccn1 1855321133 KWISQNUMUPWEOP-FXAWDEMLSA-N 411.506 1.129 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1855698074 KUBNJJUSQKEVCA-MRXNPFEDSA-N 418.519 1.305 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)C4CC4)C(=O)O3)CC2)cc1 1855828034 KKPIVNBNFSQKKX-QGZVFWFLSA-N 403.460 1.716 30 10 HDEE CN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4ccc(C#N)cc4)CC3)CC2=O)CC1=O 1855875303 SNXKXGWWXJGQCK-UXHICEINSA-N 408.502 1.624 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C2)CC1 1856149479 KIKZCWXDHXYHFZ-OALUTQOASA-N 412.490 1.864 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1856155704 NCGIKSZYQUHCFC-SFHVURJKSA-N 417.531 1.851 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856543974 BODCKMSNSIPQBR-GOSISDBHSA-N 409.552 1.360 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(CCn4cccn4)CC3)C2=O)cc1 1856701225 RZKHCKYXUCSTDR-HXUWFJFHSA-N 406.490 1.204 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1857032721 JAANHUZXPPDQNR-KBPBESRZSA-N 417.428 1.192 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)s1 1857508844 BJMLSIDUKMOAFV-CABCVRRESA-N 414.531 1.970 30 10 HDEE CCN(C[C@H](O)CNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(C)c1 1858028955 ILERORACSALMTG-QGZVFWFLSA-N 419.478 1.807 30 10 HDEE C=CCNC(=O)Nc1ncccc1OCC(=O)Nc1nc(C)c(C(=O)OC)s1 1858808877 UGEGCSBVMADBET-UHFFFAOYSA-N 405.436 1.958 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2OC)cc1 1858970124 CYBMQWAGBIGRDO-UHFFFAOYSA-N 417.487 1.842 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NC[C@@H]2CCCO2)sc2c1CCC2 1872707583 YCFUCWBYOVEYHN-JTQLQIEISA-N 417.447 1.418 30 10 HDEE Cn1c(C(=O)ON2C(=O)c3ccccc3C2=O)cnc1CNC(=O)OC(C)(C)C 1880980617 UTXSJAKDALUGCC-UHFFFAOYSA-N 400.391 1.813 30 10 HDEE CCn1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)c2ccc(C)nc21 1890634544 WWCWDRUZUIBNMK-UHFFFAOYSA-N 402.458 1.954 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] 1892009342 UGVFTOOJDJOAHM-UHFFFAOYSA-N 408.827 1.419 30 10 HDEE N#CC[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2000565071 TVEMFECXJBRSTC-CYBMUJFWSA-N 403.382 1.827 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)N1CCC(C#N)CC1 2174781828 JJCFXBHNNLUNQH-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195307357 SSPXXZKJSRAJJR-OLZOCXBDSA-N 404.529 1.832 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](S(N)(=O)=O)CC12CCC2 2239517781 JCAXRAWRCFYQIM-UONOGXRCSA-N 401.529 1.658 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243676290 HSLSGMWYAUKZNK-ZDUSSCGKSA-N 412.292 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248054439 IENCBDRWQFFUQO-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)s1 2282062108 UBQBBINXBPPERN-NWDGAFQWSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC(=O)NC3CC3)cc2Cl)OC1(C)C 2282317284 OVZPFXILBMPMSA-UHFFFAOYSA-N 420.749 1.258 30 10 HDEE CN(C)C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333868 UILNGZQPHKPCSG-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2282338783 UDNGCOHTLXHTAV-RUZDIDTESA-N 419.399 1.579 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)c1csc(=N)[nH]1 2282347690 BDXRKISVSUIENN-VIFPVBQESA-N 415.371 1.956 30 10 HDEE CS[C@@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282408718 JYODNDRBLIMBCK-ZDUSSCGKSA-N 401.363 1.139 30 10 HDEE CN1CCC[C@]1(C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493786 YALUKHCAAWUEPF-QGZVFWFLSA-N 400.375 1.810 30 10 HDEE CNC1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282507879 NKEQGCGIYGFHSE-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE Cc1cc(S(=O)(=O)N2CCNCC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282841374 NUIDOBQNUPADQB-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1C 2282848970 UYOAWTJDCAZGFS-STQMWFEESA-N 400.375 1.760 30 10 HDEE C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877175 NWFSVLMQPHBKQS-TZMCWYRMSA-N 400.375 1.760 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284398959 DMQLATBYPDCTDE-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE CN(CCCC(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284405914 RESNILBSJLRQTH-UHFFFAOYSA-N 404.319 1.069 30 10 HDEE C[C@H](CCC(=O)O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284412797 FDENEGGCMYBWIL-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)C[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284420349 AWPIMLPLXPRNOH-WPRPVWTQSA-N 401.677 1.361 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@H]1CCCN1 2286906605 SCULTKQMSQEFNZ-DGCLKSJQSA-N 400.375 1.775 30 10 HDEE C#CCCC1(CCC(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)N=N1 2297724971 GBMYCEWYVAFXNH-MRXNPFEDSA-N 407.430 1.742 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)c(O)c1 2329727704 CUTPZYNHGHGDOK-UHFFFAOYSA-N 401.423 1.879 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365170190 JQKJDURCYZCODJ-AUUYWEPGSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCC[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365171165 FKTPDBPTPIHZKK-AUUYWEPGSA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2365213202 VUEJQNONYZIYMZ-PMPSAXMXSA-N 402.557 1.863 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCC2(c3ccc(F)cc3)CCCC2)CC1 52305297 MGCIMJCKLBOUHT-UHFFFAOYSA-N 416.541 1.674 30 10 HDEE CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 55051824 JDTYVQSYWUYSSR-GOSISDBHSA-N 418.519 1.038 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccncc3)n2)o1 59881129 YTGFSUIBROPZMJ-KEBDBYFISA-N 401.456 1.390 30 10 HDEE CCOC(=O)CCC(=O)c1ccc2c(c1)N(CC(=O)N(C)CCC#N)C(=O)CO2 71525627 GAMXICIPKHSBJV-UHFFFAOYSA-N 401.419 1.310 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccccc3OCC)C2)c1=O 101764811 FAMURWCYSHGVFF-OAHLLOKOSA-N 412.446 1.915 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 105361791 UFOMROSYABOYGY-CQSZACIVSA-N 400.439 1.626 30 10 HDEE COc1ncc(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)s1 405097245 FIKIJFYXYSTERG-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 428806321 QGMMATQXKWXRRQ-CQSZACIVSA-N 418.450 1.588 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 464196350 ZKPBPTLAEMPAQS-MRXNPFEDSA-N 407.492 1.359 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 465188720 YTLCBZVJEGKDNC-SJLPKXTDSA-N 419.489 1.764 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 466172859 VZWFNYTUDIHLBF-UHFFFAOYSA-N 403.914 1.993 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 473623219 GKCIZSHIQCTRHG-UHFFFAOYSA-N 403.486 1.840 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O 474193461 UYYSFKBDAUEMNB-CQSZACIVSA-N 423.447 1.629 30 10 HDEE COc1cc(OC)cc(OCCNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 477922799 SLZNSYSTFCVTRG-UHFFFAOYSA-N 411.462 1.881 30 10 HDEE N#Cc1c(F)cccc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 487583247 OIFPKMOKAWECFK-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 488921217 SXHISKDYYFRDKS-HZPDHXFCSA-N 422.526 1.508 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 502320904 UEJMYHOPRNEPAZ-MRXNPFEDSA-N 410.478 1.853 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)COC[C@@H](O)CO 503933170 YYYHDIQLLFHAGW-SLFFLAALSA-N 422.559 1.559 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2cccnn2)CC1 508914115 RNARMTZLAWUVHW-UHFFFAOYSA-N 415.461 1.897 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 513736018 VMLAUIHOIDOWNV-KRWDZBQOSA-N 418.538 1.838 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](OC2CCOCC2)c2ccccc2)CC1 536168161 KCOSAKNBYKTALW-NRFANRHFSA-N 401.507 1.370 30 10 HDEE CC(C)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 537258809 JXUUIMASLYLZIN-KRWDZBQOSA-N 403.552 1.257 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)C1=O 541274633 ORSMWEQALFTPLG-LBPRGKRZSA-N 405.279 1.661 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNc1ccccc1F 542456894 XTOLUPOJGQZLNO-AWEZNQCLSA-N 404.467 1.983 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 555242802 ZMGPOOLAGYCPPD-WOJBJXKFSA-N 418.586 1.589 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(c3nnc4ccccn34)CC2)c1 579928399 RVFVWFPFAXDZRZ-UHFFFAOYSA-N 424.486 1.285 30 10 HDEE O[C-](O)C1CCN([C-](O)C2=C=C3CO[C@@H]([C-]4C#CC(Cl)=C=C4Cl)CN3N2)CC1 642813321 KGOIUBZGYPGEHA-QGZVFWFLSA-N 423.276 1.816 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669815916 PQIFOHQLNPKUJB-UHFFFAOYSA-N 420.539 1.014 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 685556110 QEMJNPIVKGZNNG-DZGCQCFKSA-N 403.508 1.625 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1cccs1 727417322 IDWKTAQXAABUGC-ZDUSSCGKSA-N 411.508 1.979 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729334369 NGUPSYFZZPFMSE-RBUKOAKNSA-N 402.516 1.496 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 731886702 CMMUWRUJOIIGID-CZIZESTLSA-N 413.434 1.841 30 10 HDEE N#C[C@H](C(=O)/C=C\c1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 732911222 YBUGPAFYJFYVNQ-NNRVYMOVSA-N 401.238 1.021 30 10 HDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 746762464 YFQWXXNCPMFRFU-QBEKEKFNSA-N 411.506 1.819 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCC4)cc1C#N 747495931 YQCKJEUJYYIIJN-UHFFFAOYSA-N 417.425 1.478 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(C)nc3)C[C@H]2[C@@H](C)CC)CC1 749550504 KGQPNPPRNYMDEG-REWPJTCUSA-N 411.594 1.700 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 751530816 IYSSPTGEXQGYAJ-GFCCVEGCSA-N 406.407 1.388 30 10 HDEE C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCN/C(O)=C1\N=CC=CC1=O 768686987 CIUVXHIIWWZTBF-YTRIFDNDSA-N 408.499 1.517 30 10 HDEE CCN(Cc1ccc2c(c1)OCCO2)C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 773468072 MCTFKEPYVWMLPT-NRFANRHFSA-N 410.426 1.955 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 773966841 IMAGQYYSSJTIBS-KGLIPLIRSA-N 422.507 1.098 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)CC1 780929701 CJLMXEVFVLFQMI-NRFANRHFSA-N 408.458 1.525 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)CC2 786797678 LJWCTQIOMBLOBX-NRFANRHFSA-N 403.479 1.660 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccccc3OCC)C2)n1 788809912 APXNUXBHUDMCRR-SFHVURJKSA-N 424.501 1.943 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F 795805639 KNLJMAVEQAPRSK-CYBMUJFWSA-N 417.480 1.122 30 10 HDEE CC(C)n1cc(C(=O)[C@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 796766644 XHLXZHNSWKNHOV-INIZCTEOSA-N 411.422 1.438 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)n1cnc(C#N)n1 798740887 DQURVTKKPOEHII-AWEZNQCLSA-N 416.869 1.252 30 10 HDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(F)cc1 1084381204 TYIYQJZPDIQESV-UHFFFAOYSA-N 417.426 1.719 30 10 HDEE CN(CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1132853464 VAELVKRQMCQGAI-MRXNPFEDSA-N 414.443 1.371 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1134120328 LVVYKZKUYWPDLX-INIZCTEOSA-N 416.503 1.161 30 10 HDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@@H](C)NC(=O)Cn1cnnn1 1142116432 RDFWLQBTRDSBKO-CQSZACIVSA-N 405.418 1.789 30 10 HDEE C=CCn1cc(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)nn1 1142655543 IPAQQZDSRREENL-UHFFFAOYSA-N 418.523 1.513 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C1 1145082584 OWLWTXKXCMBJRR-INIZCTEOSA-N 412.490 1.677 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1146221473 QUKRAAORWTUXTF-OAQYLSRUSA-N 423.469 1.838 30 10 HDEE Cn1cnnc1[C@@H](CO)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1148322128 ZQPZSAWCDIRJGK-OAHLLOKOSA-N 402.886 1.796 30 10 HDEE C=C[C@@H](O)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1156813172 YHDFPBMQSXAFRS-TZMCWYRMSA-N 403.298 1.265 30 10 HDEE Cn1cc([C@@H]2CSCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cn1 1157425170 UUZHAJPHGAOYTE-HNNXBMFYSA-N 419.532 1.165 30 10 HDEE CSCC[C@H](C(=O)NCC#C[C@H]1CCCCO1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1158986777 RHDFDFMHWDQQPY-ZJPYXAASSA-N 406.548 1.972 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1162121064 FPUWOGKZDJKREX-RTBURBONSA-N 408.433 1.865 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C(F)F)[nH]c3c2)CC1 1202932200 AVBYOOARPZKAEQ-UHFFFAOYSA-N 412.422 1.118 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 1221732501 MAHUDCHBELAVCO-UHFFFAOYSA-N 410.927 1.166 30 10 HDEE C=CCCOCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1225380712 LDZKPLVEHGDFRY-OAHLLOKOSA-N 419.544 1.303 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1(CS(C)(=O)=O)CC1 1230879555 QKQXYZNCZKLDHW-UHFFFAOYSA-N 406.552 1.846 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)CC1 1233702457 KPFNQXUTTWUKDL-OAHLLOKOSA-N 409.408 1.976 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)C1 1248676496 MWETUHQLPQIZAK-SJORKVTESA-N 419.323 1.729 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1254301748 FVFQSBBERREAAX-OAHLLOKOSA-N 419.484 1.928 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1286364520 DGAREOGSIDRUFS-UHFFFAOYSA-N 415.317 1.044 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286386886 IYIKEUKUWLRGNS-XLIONFOSSA-N 417.535 1.374 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286389613 NJWOPKMNSGOSOQ-QGZVFWFLSA-N 400.504 1.839 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1286415778 QUOBJWGHMLROFA-WJFTUGDTSA-N 400.523 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1286429325 AJYXTFMAVHYNIZ-QGZVFWFLSA-N 413.503 1.095 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@@H]1OC 1286462798 WGJGNNIXTGQBGH-RDJZCZTQSA-N 415.494 1.907 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCC(NC(=O)COC)CC1 1286612927 ZMLYVHCLJXWYIX-GOSISDBHSA-N 421.542 1.844 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CCn1cccn1 1286789056 ADDKJCGCVFCTKA-UHFFFAOYSA-N 400.512 1.269 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1291193658 GXBUBKKZZVLENZ-FUHWJXTLSA-N 424.505 1.822 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnnn2-c2ccccc2)s1 1292167145 JUIZAFROOVKTTQ-UHFFFAOYSA-N 418.504 1.047 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1298927776 MYEBRWISYNRPAS-HOTGVXAUSA-N 424.461 1.703 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CN(C)C)cc1OC)c1cc[nH]n1 1299105408 GNKOYGFKKLFANL-UHFFFAOYSA-N 403.439 1.402 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1300356329 BKDNHSRFGVFHAN-KRWDZBQOSA-N 411.485 1.893 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1300431598 IPEKJDBXNQBVLH-HXUWFJFHSA-N 402.499 1.352 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cn(C)nc1-c1ccccc1 1300471647 KBPSWKHICFAXSC-UHFFFAOYSA-N 403.490 1.919 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cnnn1 1300587308 LXOAMWNEXNRJHT-UHFFFAOYSA-N 413.489 1.890 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300741456 XIQNHDWZSAKTHY-INIZCTEOSA-N 404.584 1.522 30 10 HDEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1300777147 SSSARNOSLDMILL-MRXNPFEDSA-N 423.491 1.061 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1301260357 XPCRJIZMZZJRLY-INIZCTEOSA-N 409.494 1.421 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CCC2)C1 1301536441 WIRZQFGBGZRFCY-HYDGNGQDSA-N 421.567 1.597 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301618291 OCCCDNNMYONAGT-JKSUJKDBSA-N 418.567 1.377 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1301951488 ADPYQUOJMNRITI-QZTJIDSGSA-N 417.558 1.347 30 10 HDEE C#Cc1ccc(NC(=O)CCN(CCNC(=O)OC(C)(C)C)C[C@H](O)CO)cc1 1307865662 KICWIJIYAGERLA-SFHVURJKSA-N 405.495 1.176 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCc2c(cccc2C(N)=O)C1 1307958404 GIMWOVMUACBAFM-UHFFFAOYSA-N 400.442 1.840 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1309564843 CBPBLNZKPVGWDO-AAEUAGOBSA-N 422.320 1.808 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCSCCCO 1314741028 JGVMEQBGKCXBES-QGZVFWFLSA-N 414.535 1.853 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1316175542 CDJVDKPDUXGPRZ-BBRMVZONSA-N 422.427 1.938 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)CC1 1316533319 LQWLBNUWJHRSAT-INIZCTEOSA-N 411.466 1.471 30 10 HDEE Cc1c(C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cnn1CCC#N 1352866593 XOOIMRNSJDWRLF-UHFFFAOYSA-N 407.521 1.750 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1358912411 QLRJHSJIODCSSC-KRWDZBQOSA-N 421.567 1.336 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1358938224 UMLBUWGLGRDAFH-AWEZNQCLSA-N 421.523 1.297 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnn(C)c2)CC1 1359031576 HQJVKKZMGJMAHW-UHFFFAOYSA-N 406.450 1.390 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1359048033 CLHGLRPBJKHNCN-PMACEKPBSA-N 403.552 1.790 30 10 HDEE C=C(C)COCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1359136428 ISOQROPKBLEMQT-UHFFFAOYSA-N 404.515 1.689 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC 1359281369 XCRYEIDVHAQVGW-UHFFFAOYSA-N 418.498 1.417 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1359298479 AZJXRJVPFIWPET-UHFFFAOYSA-N 416.555 1.588 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1NC(=O)CC1(C)C 1360184113 AQUGIKJYGHIDFT-OAHLLOKOSA-N 401.515 1.461 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1439972695 PEEWGAMLQCOGEB-OAQYLSRUSA-N 411.462 1.658 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)ncc1C#N 1442524984 RAIGYSBYVIXRME-HNNXBMFYSA-N 415.494 1.755 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1443060794 SIRFEAXXARPMML-FPLPWBNLSA-N 407.474 1.379 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1443587697 VINAPHARMAKUMP-CXOKCQFOSA-N 405.470 1.093 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc12)C(=O)OC 1463600784 XDLJJCAKIYUZBN-CYBMUJFWSA-N 417.281 1.953 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C#N)nc1 1464517363 OQWHPOOVIDXFGW-UHFFFAOYSA-N 404.492 1.977 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C 1466319816 HQEQTSLBWWJLHJ-ZDUSSCGKSA-N 412.512 1.573 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1F 1467381960 AAJFGQXWZPDQBN-KRWDZBQOSA-N 418.375 1.195 30 10 HDEE C[C@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1469156510 BNIOYBHTOKISNY-MAUKXSAKSA-N 410.478 1.173 30 10 HDEE N#Cc1cccc(ONC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1471085624 HGYNAGPRIBLOIF-UHFFFAOYSA-N 417.443 1.498 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1477870219 CEWAIDWYFKKWSN-NDEPHWFRSA-N 407.492 1.575 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1479142806 QYTFMLVPTQGYJH-GDBMZVCRSA-N 412.533 1.026 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1503397852 GSWJDPRKRKRIAA-UZLBHIALSA-N 422.599 1.898 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(C)(=O)=O)c1 1504115648 GXQVAHVEOFYPEO-ZDUSSCGKSA-N 407.496 1.603 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(C)=O)cc1 1504305519 IBFLSJDXXBASOY-FQEVSTJZSA-N 416.457 1.834 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C[C@H]1OC 1505123277 AYAICEUGDPLCHE-ZYWUZIHQSA-N 415.519 1.578 30 10 HDEE CS(=O)(=O)CCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1505129870 DAKBOMVMRISXRX-INIZCTEOSA-N 423.926 1.686 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1507631151 BOYDXILPCIPYRF-SJORKVTESA-N 418.519 1.749 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)c1ccccc1 1507713061 XFDSPJDQZAHXPK-MJGOQNOKSA-N 410.522 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N(C)C2CC2)CC1 1507737126 ZULMSTPINBBYGS-QGZVFWFLSA-N 421.549 1.789 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1507810125 ZIDGJXATMRCEAP-VMXHOPILSA-N 417.510 1.712 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507861170 CJBLFIMGSSQDMP-MRXNPFEDSA-N 402.886 1.920 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncnn2C(C)(C)C)CC1 1507881592 OVQVEUVKTAYCKJ-CQSZACIVSA-N 422.559 1.440 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507928859 JWPSQOOLUZQABC-HNNXBMFYSA-N 417.514 1.245 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1508075121 UVSDCMKKYHBNGZ-HIFRSBDPSA-N 420.901 1.536 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508086029 WYLVCEHIBOPIBM-AWEZNQCLSA-N 418.523 1.510 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)C1 1508110074 XMLYKBYDDMJYIU-UZLBHIALSA-N 422.599 1.635 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1508143705 JLARESJIGZPUOF-RZQQEMMASA-N 424.567 1.604 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CC2)CCO1 1521122465 WMAPSQQDPFFHKP-AWEZNQCLSA-N 404.268 1.961 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1525838177 MFWYSZBBMURLIT-UHFFFAOYSA-N 422.344 1.339 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCn2nc(O)c3ccccc3c2=O)CC1 1528601019 HYIXWRWUNSZWIJ-UHFFFAOYSA-N 409.471 1.774 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)nn1 1529540117 LRNFFYHCLYTOLR-UHFFFAOYSA-N 418.523 1.245 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 1531918596 LPFNXTJGIXTJQU-UHFFFAOYSA-N 405.499 1.786 30 10 HDEE COCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccccc1 1538540179 SLVJFRMXLVWDFP-LIRRHRJNSA-N 400.460 1.029 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539215875 KTIAASIDIPZPJH-IXDOHACOSA-N 414.535 1.798 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCC(=O)NC2CC2)CC1 1539453376 IZNLKWLBURUDPG-UHFFFAOYSA-N 407.522 1.078 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCCOC)C1 1539489233 JGKZFHKUHAOKKG-KRWDZBQOSA-N 421.567 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCNC(=O)c1cc[nH]n1 1539562661 DHBDIZPSGGINPZ-OAQYLSRUSA-N 404.478 1.409 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCc1n[nH]c(C)n1 1539566338 HEWJVPXSZJJELK-HXUWFJFHSA-N 424.534 1.931 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539705028 MBQMROLFZOSGMS-SJORKVTESA-N 423.583 1.446 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539819789 IWOYQVVDAMFVAE-RTBURBONSA-N 409.918 1.930 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nn(C(C)(C)C)cc3C#N)C2=O)cc1 1539971236 ZLHRTCQKNCMRJJ-OAQYLSRUSA-N 424.461 1.924 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 1540603022 QMLYUOWTVORCGC-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1540903241 BHAPWAQMGMJGAF-CVEARBPZSA-N 412.556 1.634 30 10 HDEE COc1ccc(OCCCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1554982046 JARSYXXVVORJLY-QFBILLFUSA-N 413.478 1.988 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H](O)C1 1555753957 ZBQGMEMVOSSYQH-TXTZMMAHSA-N 405.499 1.282 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC12COCCN1CCOC2 1557742936 XUJCGMOTKVUVSS-AWEZNQCLSA-N 403.907 1.240 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)C1 1557994999 XWDVBWIIKLWAMR-NRFANRHFSA-N 407.430 1.998 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2cnn(C)c2I)n1 1563297988 GBKVJGDVMYLBKM-UHFFFAOYSA-N 412.235 1.908 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCS3(=O)=O)C2)C1 1569097754 OMMQPNJSFYNHHK-QXGUJMOYSA-N 411.524 1.467 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)cc1 1583926747 OKUQHXSFYNYFCO-IBGZPJMESA-N 415.471 1.810 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1587568224 OTEVHCHAQDJZSC-QRWLVFNGSA-N 402.499 1.965 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587702423 VNQWJKTZVRSQFY-UHFFFAOYSA-N 424.571 1.080 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1593776029 GXRXBYJHZFCGON-QZTJIDSGSA-N 419.526 1.550 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccnc1C)C1CC1 1595021379 YKNDOIIQDWYZTE-AWEZNQCLSA-N 405.528 1.384 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnnn1C 1595238894 AJMXIYGSUXPZEU-GOSISDBHSA-N 406.494 1.641 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccnc2C(=O)c2ccc(F)cc2)C1=O 1595442795 DAGTWMIXEMTHEI-UHFFFAOYSA-N 410.361 1.367 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595517258 VHWYXWRYOMERJD-IBGZPJMESA-N 416.489 1.296 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)F)CC1 1595529919 MPLKMWNFTCNPCK-UHFFFAOYSA-N 405.453 1.338 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595784487 GVQCIDMGLBISGJ-CYBMUJFWSA-N 419.429 1.642 30 10 HDEE C[C@H](CC(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1602975132 OZRLOEITAKPOPX-JRPNMDOOSA-N 419.425 1.587 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)C#N 1617348503 HFJUCEALCQYTDD-HOTGVXAUSA-N 412.560 1.440 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1619616032 OHEDYAMCHHUYIT-GOSISDBHSA-N 424.484 1.861 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)cc1 1622886933 YTFBYPOPTKSOJZ-SHTZXODSSA-N 408.524 1.906 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1 1624669508 OFRLTBCEHVVFCC-UHFFFAOYSA-N 412.515 1.892 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 1626948900 VLKNBRILWWEZBA-QGZVFWFLSA-N 413.883 1.116 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(-c3c(F)cccc3F)s2)CC1 1627014776 DMEFECYRZFINQQ-UHFFFAOYSA-N 418.469 1.986 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCCc4nn[nH]c43)c(C#N)c2N)cc1 1629235903 DGJUNGNJNDDHMH-OAHLLOKOSA-N 404.478 1.922 30 10 HDEE C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCS(=O)(=O)C1 1632938744 DCISRXMJZPKGCO-LLVKDONJSA-N 401.282 1.593 30 10 HDEE COC(=O)N[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1634407663 AGUBMKHZSFCUOE-AWEZNQCLSA-N 422.507 1.242 30 10 HDEE C#C[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)[C@@H]1CCCO1 1634532576 ZVYSEGDEGVERER-JSGCOSHPSA-N 423.214 1.178 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)cc1F 1634796772 TUNMBRPMDYFJAM-UHFFFAOYSA-N 405.386 1.307 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)CC1 1635063124 PWARRTWTZZLHLM-UHFFFAOYSA-N 413.927 1.487 30 10 HDEE N#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1635476593 OAHJEQWTVDDLSE-LLVKDONJSA-N 406.291 1.395 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)CC(=O)OC(C)(C)C 1636059930 AOZDGPQKWLLCCS-CYBMUJFWSA-N 409.508 1.852 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](C(=O)Nc4cn[nH]c4)C3)n[nH]2)c1C 1637160000 ZTPAVGVEXZEPDF-CQSZACIVSA-N 408.466 1.900 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1ccc(I)cc1-n1cnnn1 1637571223 PHTKAKCOWMGLLC-JTQLQIEISA-N 413.219 1.181 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)nc1 1638910929 MCMJWJUADYWKLT-OAHLLOKOSA-N 416.279 1.981 30 10 HDEE C=CC[S@@](=O)(=NC(=O)Cn1cc(Br)c(O)nc1=O)c1ccccc1 1640208063 HOTQVGYSYSOGOL-DEOSSOPVSA-N 412.265 1.951 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C1CCOCC1 1641858602 UCHCGKKKNPBHEX-CQSZACIVSA-N 405.303 1.816 30 10 HDEE Cn1nccc1C1(O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1643414444 XMOYEWHUOVRDSV-CHWWFWEZSA-N 415.494 1.237 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1(C)C 1648028743 MJXNSRSTHNAREU-KBPBESRZSA-N 417.466 1.143 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)c1 1648372601 PZYAEWOPMRDZGO-GOSISDBHSA-N 406.504 1.256 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccc(F)c3ccccc23)CC1 1650848659 CVYIXFKNYMQVOO-NTMALXAHSA-N 401.463 1.604 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1653703604 MQAASCNDVYHLLF-ZDUSSCGKSA-N 419.908 1.246 30 10 HDEE CN(C)C(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1655709544 UFURLNJBTMMLHE-ICSRJNTNSA-N 415.513 1.335 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 1657443113 HTKONHFRGULRHG-QWHCGFSZSA-N 403.526 1.476 30 10 HDEE C#CC[C@@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1664365414 BMWQIDHGAZEICP-IAGOWNOFSA-N 408.476 1.272 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 1666567276 WRRRBUNCOBQEAU-GFCCVEGCSA-N 424.313 1.540 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1679249514 RWOJEZAZZSMKLG-UHFFFAOYSA-N 410.352 1.523 30 10 HDEE C=CCn1cc(CNC(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)nn1 1683315275 MHAGYARAPOTIKW-UHFFFAOYSA-N 400.483 1.903 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1683871010 GEFGYIONBYHILG-IHWFROFDSA-N 416.547 1.741 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1ccsc1 1686167960 OBOBTHNAIKHBRE-MTSZKFMLSA-N 403.504 1.317 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)C 1689839520 IHVFMOBHZOSJOL-OAHLLOKOSA-N 407.482 1.151 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1689842222 WNURJZJFVQCKBM-AYAKEVCGSA-N 420.473 1.938 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1689902241 XJYAIWGVXAJGIT-UHFFFAOYSA-N 400.508 1.399 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1689928681 UKGXBRVNUMATFC-HXUWFJFHSA-N 422.533 1.844 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689956934 KQGQJHJXCHDSKC-ZZEZOPTASA-N 401.430 1.413 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccn(CC)c1=O 1689998277 HSXKXBAKUGJTJK-UHFFFAOYSA-N 408.506 1.499 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccnc1OCC(F)F 1690013561 UKYTUYFHZGJOND-UHFFFAOYSA-N 409.400 1.895 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1690726620 GTXRULGVEWIEAS-OCCSQVGLSA-N 422.473 1.987 30 10 HDEE CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1695556094 XQDXKIDARBNDGP-STGLLQLASA-N 400.483 1.687 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCCS2)cc1 1698488077 BYIVXZIIHUJGEM-QGZVFWFLSA-N 412.519 1.951 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705522815 GJIMITFORACSES-FQEVSTJZSA-N 409.450 1.370 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705570134 MYUNUPZYQIEJPG-SFHVURJKSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C(C)C 1705598285 GBCNDHJWTVAKAE-SFHVURJKSA-N 405.568 1.373 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCN2CCOC2=O)CC1 1705640811 HDECPDSETMVDMU-UHFFFAOYSA-N 422.533 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)N(C)C)CC1 1705647367 CSRZNDBECFIVSB-FUHWJXTLSA-N 402.543 1.436 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705724797 PZXURYPZMHFYRS-LBPRGKRZSA-N 404.412 1.828 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)CC1 1705781922 KKMIKTWGYZYIIU-KRWDZBQOSA-N 421.523 1.655 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705829201 KHKJMIHXSYBYJM-GJZGRUSLSA-N 417.470 1.091 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCc2nc(C(F)(F)F)ncc2C1 1705892655 WCXXVZYVUKVVAG-UHFFFAOYSA-N 407.400 1.958 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1705906294 ZHBIGMVNBXQCLL-INIZCTEOSA-N 402.543 1.664 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1705925452 PMENTMQFHOPNHC-RCCFBDPRSA-N 424.567 1.921 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)C1 1706932058 AYJMSVKKFBVHPZ-OAQYLSRUSA-N 422.493 1.186 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1707653271 GUNGRQORMVBWKJ-ZDUSSCGKSA-N 408.384 1.661 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1709851321 PHLHKJSKKBZNCF-NRFANRHFSA-N 418.542 1.975 30 10 HDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1712347225 HDEIVVVTVOCSJB-QGZVFWFLSA-N 424.505 1.538 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722324547 UHAQMJCDWICNRI-VXGBXAGGSA-N 409.434 1.069 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722344673 RRRZYYNYFSLYOW-XQBPLPMBSA-N 419.570 1.887 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1722376901 HOFDSFPAJRDJRC-ZWKOTPCHSA-N 410.474 1.575 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)C2CCCCC2)CC1 1722438176 ZJQKHUBMIGNQON-GCJKJVERSA-N 414.554 1.316 30 10 HDEE C#CCSCCn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722452934 UEMKGQVETVZYSB-VQIMIIECSA-N 404.584 1.332 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1722459047 BCHVTTHRARQMAA-MRXNPFEDSA-N 410.565 1.330 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722495317 RFFFOHUQNJGERM-FPOVZHCZSA-N 418.586 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1722689655 VUNWTHMXHMFIQU-OAHLLOKOSA-N 419.489 1.416 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccn2)CC1 1722696351 JVTAGSGQWOOBPN-UHFFFAOYSA-N 404.478 1.364 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC2(CC1)COC(=O)N2 1722737839 SUBPKNWLSGOASI-UHFFFAOYSA-N 401.496 1.733 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CCC1 1723952961 PQBOAWMPSPYXRN-ZBFHGGJFSA-N 421.571 1.255 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1723969753 OUCPWSZFIXFVFZ-YWMUFLPLSA-N 415.469 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740546143 GEIKGIUQAHLDEV-MEUCICPISA-N 405.462 1.633 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1740625411 FKSHYECCTMQDPR-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCSC1)[C@H]1CCS(=O)(=O)C1 1740628659 SFMLIRKXNPYEDG-CVEARBPZSA-N 412.581 1.585 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)nc1 1740660721 ASMWRKBHVOUJFP-HKUYNNGSSA-N 422.489 1.007 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)OC)CC1 1740706905 IBYJMAZPBPWGDD-AWEZNQCLSA-N 416.551 1.635 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](COC)C1 1740951127 QBWYIVUOGZHSKA-INIZCTEOSA-N 404.515 1.069 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C)=C(Br)C1 1740957460 OUOBQWSDMQTKSZ-UHFFFAOYSA-N 420.315 1.860 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740961304 SUQUPGGRZSSGHJ-UHFFFAOYSA-N 404.559 1.864 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CC(=O)N2CCOCC2)C1 1740978300 RMIGRUFEXDJFTP-GOSISDBHSA-N 411.506 1.894 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1742139670 RAANSUMZUVGSGF-IBGZPJMESA-N 406.494 1.830 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1747999715 WQBMDBWFOIKEAR-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1748682330 UKAIAULKKQIDPW-HOTGVXAUSA-N 412.519 1.409 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1c(C)nn(C)c1C 1748789713 ASPHQBGWSUGTBM-UHFFFAOYSA-N 419.537 1.920 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748812527 VMXCCONRRIVOAL-MRXNPFEDSA-N 419.551 1.725 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC(=O)N1CCOCC1 1748898935 ZPDISNMNEDHZDP-UHFFFAOYSA-N 421.501 1.221 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1749001116 IXFWXLCSYURNHT-QZTJIDSGSA-N 417.554 1.593 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749136607 PNHBIALSIIGWRV-WIYYLYMNSA-N 416.570 1.470 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 1749303716 NSDVDAFBUYRDGS-QZTJIDSGSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1749479343 YZOSWMAYKGXDRM-UHFFFAOYSA-N 407.565 1.946 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1749493817 KVHNWERRDJGMSK-GOSISDBHSA-N 406.446 1.955 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1749506008 IIEGCXWVOVKBNZ-UHFFFAOYSA-N 418.461 1.622 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1749663627 KVBLUPXSPXVLRP-IRXDYDNUSA-N 413.526 1.765 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)COCCO1 1751303192 IACFBVLGDMHPFH-NHCUHLMSSA-N 410.478 1.324 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1751653129 UDJCHJHIDAXJKM-ZWKOTPCHSA-N 424.505 1.809 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)C1CCC1 1751928247 KHNXMXHPUILOOT-UHFFFAOYSA-N 408.510 1.486 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnnn1CC1CC1 1760103163 ZNTZEALLYGKLEM-AWEZNQCLSA-N 422.493 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1760112056 ABTVAFZKVRGNDC-GUNSETOZSA-N 415.567 1.679 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1760144021 AKIKWFZNPAKNJP-UHFFFAOYSA-N 423.521 1.255 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1760157416 ONSDEFHRGNNGFB-KRWDZBQOSA-N 414.554 1.945 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760158670 PMAUGKVBFQOEAU-QGZVFWFLSA-N 412.469 1.966 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1760171219 IGIWDDDQRQHXBA-CYBMUJFWSA-N 406.288 1.348 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1760173541 ADSSIEOXLXJJJL-INIZCTEOSA-N 402.520 1.772 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1760360954 PZKPQQBKTJWKBN-HKUYNNGSSA-N 421.542 1.653 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2cc(CO)nn2)CC1 1760381522 PKSLLOUVWNZLCK-UHFFFAOYSA-N 416.530 1.527 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)CC1 1760382842 ZFMMNPPKRDMPII-RDTXWAMCSA-N 409.512 1.545 30 10 HDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C1CC1 1760476337 OGNSOJXWPMISEZ-UHFFFAOYSA-N 422.489 1.742 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1760525226 YFADUHUJAHAUFY-UHFFFAOYSA-N 413.913 1.994 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)Cc1ccccc1 1760690520 DBWZAXRSEAAODW-INIZCTEOSA-N 406.494 1.933 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1760770713 DCDQTVHCQPVPKX-HNNXBMFYSA-N 422.555 1.225 30 10 HDEE CC/C=C/Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1765339820 CCHRSXBIQIHTKI-BWPKMQGJSA-N 415.523 1.933 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)COCCO2)CCOC1 1765846802 AVDHFHFCWPBLQY-RTWAWAEBSA-N 419.526 1.866 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)C1 1770728546 QENQWPGXWYDPAW-LALPHHSUSA-N 419.429 1.046 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1771336262 NQIQQKDUMNDQAV-GBESFXJTSA-N 413.478 1.494 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1772564754 FUMONQHQBDDTMK-QGZVFWFLSA-N 418.519 1.896 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CC#N 1772882547 PKZZHHNKOONSFJ-PMPSAXMXSA-N 406.531 1.903 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCN(C)C1=O 1849168268 YCGOYPKDTURXNI-CABCVRRESA-N 411.549 1.394 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)CCCN2CCS(=O)(=O)CC2)c1 1850911865 YTJHQCSBXSZNRY-UHFFFAOYSA-N 401.492 1.502 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(C(=O)c3cnn4c3CCCC4)CC1)OCO2 1851109194 PFJCZMYRCRLDCR-UHFFFAOYSA-N 421.457 1.347 30 10 HDEE CN1CC[C@H](C(=O)Nc2nc3ncc(I)cc3cc2C#N)C1 1852181729 NKGZONSKDVVRDT-VIFPVBQESA-N 407.215 1.996 30 10 HDEE Cn1cnnc1C1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1854014743 LYDUPHRKAFJGPS-LJQANCHMSA-N 406.490 1.626 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)CSc2ccncc2)C1=O)[C@@H]1CCN(C)C1=O 1854131807 SAUWVBNNTWKUAG-ZWKOTPCHSA-N 416.547 1.800 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)C1=O)[C@@H]1CCN(C)C1=O 1854219437 NKIFTXVOEISYKW-MSOLQXFVSA-N 408.458 1.801 30 10 HDEE Cc1cccc(C(=O)N2CCC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1854253220 TYVDINXVWRQVCY-IBGZPJMESA-N 404.474 1.609 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC(=O)c3ccc4c(c3)OCO4)CC2=O)cc1C#N 1854258767 NNTCSXAPNPOAFO-UHFFFAOYSA-N 405.410 1.763 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283433 FPVKLOVFJFKEKK-FUHWJXTLSA-N 416.501 1.761 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1CCCC#N 1854309750 WPEWOZPPZUUHPV-MRXNPFEDSA-N 418.519 1.448 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2)C(=O)C12CCCCC2 1854402145 YXUWCXIQLIRDFF-UHFFFAOYSA-N 407.467 1.595 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1854699576 SHZWNHYCBQNOKY-DLBZAZTESA-N 411.568 1.464 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)c2ccncc2)C1=O 1854797874 HGAPJDLXMUYBFW-SFHVURJKSA-N 405.462 1.085 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(C3CC3)n(C)n2)CCN1CC(=O)c1ccc(C#N)cc1 1855143066 PKOAOXCBQATLBN-CQSZACIVSA-N 405.458 1.725 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855164277 XLTYBDXGXAEAEW-DLBZAZTESA-N 416.547 1.773 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)CC2=O)c1 1855537063 BOIHZSHJKPWWFF-SJORKVTESA-N 412.490 1.659 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCCC[C@H](N4CCC(C#N)CC4)C3=O)cc2n1C 1855597745 JMDREJQUNYCMCP-SFHVURJKSA-N 409.490 1.634 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855725402 YQTPUURWVNEQCP-CABCVRRESA-N 408.499 1.579 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nn(C)c3c2CCC3)C1)[C@@H]1CCN(C)C1=O 1857050566 MBQPWXBRZSSCTB-CRAIPNDOSA-N 413.522 1.006 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@H]1CCN(C)C1=O 1857061099 NSABGENGDOAEBI-WMZOPIPTSA-N 414.506 1.578 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccnc2OC)C1)[C@@H]1CCN(C)C1=O 1857068172 LWETWGUTPNFNJU-NVXWUHKLSA-N 400.479 1.188 30 10 HDEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN(CCOC)CCOC 1870367981 GBPHSKMIYDTOBF-UHFFFAOYSA-N 410.511 1.851 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870558606 HQQSRMWHDDGGAW-QZTJIDSGSA-N 401.507 1.482 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H](C)Oc1ccc(O)cc1 1873710521 IJKMYGNVNIPACS-CYBMUJFWSA-N 417.487 1.941 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 1890102854 ROGIWNQBDCLYTJ-KRWDZBQOSA-N 406.490 1.903 30 10 HDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CC3(CNC(=O)O3)C2)CC1 1891671674 KXDLYFXNMLDDCP-UHFFFAOYSA-N 413.459 1.812 30 10 HDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)co2)no1 1891788705 QLSNNNZKPRKFJL-LBPRGKRZSA-N 423.389 1.569 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 1902514575 XBLHYKQBWREMPM-STQMWFEESA-N 411.308 1.450 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)C(=O)O 1993921718 SWQBMIYYGSWMFD-QGZVFWFLSA-N 417.506 1.995 30 10 HDEE N#Cc1cccc(C[S@@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074703097 UHSBYASDQRMKRE-HPGBDJQBSA-N 401.444 1.972 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074711223 RJGQVBZWQVKQDB-DEXQXJORSA-N 408.476 1.315 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)N2CCC(C#N)CC2)C1 2118168711 MJAAQJPOZQADQB-AWEZNQCLSA-N 404.558 1.409 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N)C(=O)OC(C)(C)C 2162922310 PBLRPIUZRMGWAS-SANMLTNESA-N 416.525 1.794 30 10 HDEE C#CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 2180113129 NGVBYCPBSGYFAN-NHYWBVRUSA-N 412.430 1.481 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2212742290 JFCIMCJSYUEURG-UHFFFAOYSA-N 407.320 1.704 30 10 HDEE C#CCn1ncc(NCc2nn(C)nc2Br)c(Br)c1=O 2235259275 VGXSESMWXHIQKI-UHFFFAOYSA-N 402.050 1.142 30 10 HDEE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386626 DRUMSSULOFFNKJ-UHFFFAOYSA-N 404.276 1.873 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243387683 YVUUCUYOUIJNMU-UHFFFAOYSA-N 406.292 1.448 30 10 HDEE C[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2248053771 FHTXQRFPUWJVLE-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C#CC[C@H](C)CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258150561 COENUGKWHCDHON-RDJZCZTQSA-N 410.492 1.375 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267355604 ZYPNPCGSJTYJRZ-XMMPIXPASA-N 407.388 1.355 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)cc2)OC1(C)C 2267367485 UGNYVECTIBSTPF-CQSZACIVSA-N 409.313 1.369 30 10 HDEE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267368215 FURGVNOJOLUPDB-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2267548967 WFZOGLJMVNSBQB-UHFFFAOYSA-N 406.313 1.812 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2267717949 LRVXADHZDXVLEB-DEOSSOPVSA-N 405.372 1.237 30 10 HDEE Cc1nc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282029843 XVKXUXUBMGQYAE-JTQLQIEISA-N 402.347 1.304 30 10 HDEE CN(Cc1ncno1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282307307 ZYEJFIYZAKEMFX-UHFFFAOYSA-N 419.721 1.904 30 10 HDEE COC(=O)CCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282309664 JCGVWNUFXAFWKT-UHFFFAOYSA-N 423.749 1.932 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(C)(C)C(N)=O 2282316117 XVPNDNCRXRDNLV-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CNC1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CC1 2282316582 FHWDEUJGPZFSLL-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(F)CCOCC2)OC1(C)C 2282493112 UXDNKTFCGWLUGG-UHFFFAOYSA-N 405.322 1.844 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(O)CCOCC3)sc2Cl)OC1(C)C 2282628519 OLBVBYXXJUBBPD-UHFFFAOYSA-N 401.721 1.972 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282629458 WCZIVBHHGWNLPZ-LLVKDONJSA-N 402.347 1.057 30 10 HDEE C[C@H]1[C@@H](O)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833838 LHCZBDOHFLQIST-AAEUAGOBSA-N 402.347 1.117 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841924 ZCWBGFJPTPPPFD-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC(C)(C)[C@@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860420 ZVCMSODKGKTRCR-GFCCVEGCSA-N 403.375 1.980 30 10 HDEE CC(C)C[C@@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869476 CZCPHDPNAGBKIH-AWEZNQCLSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284401333 HOCOIDGHODXFSN-SCZZXKLOSA-N 421.733 1.842 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](F)[C@H](C(=O)O)C2)OC1(C)C 2284410705 DILQIYPUJZRYSC-MWLCHTKSSA-N 405.278 1.091 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC(F)(F)C[C@H]1C#N 2286065407 NWOIONNNFRYACG-RYUDHWBXSA-N 407.439 1.170 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@]1(NC(=O)OC(C)(C)C)CCSC1 2342036849 HYTWTGHXHTXERG-PBHICJAKSA-N 402.582 1.946 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCCCCS(N)(=O)=O 2364191112 BLWMFQFOTQEKAC-AWEZNQCLSA-N 404.533 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365199168 LVDOBHMSECPJNZ-QLFBSQMISA-N 402.557 1.537 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2366094204 KICKSZZZKYXWSZ-IFMALSPDSA-N 412.490 1.243 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367808436 CNSNFVKTQGRACT-OAGGEKHMSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CC)CCNC(=O)OC(C)(C)C 2367825924 TYYODJFKWCSGEZ-HNAYVOBHSA-N 402.557 1.601 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 27903382 JLTXUUAKYNPYIT-QGZVFWFLSA-N 401.486 1.381 30 10 HDEE COc1cc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)ccc1O 101441616 OFCAABSFGXUCHD-CZUORRHYSA-N 409.446 1.944 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)Nc3cc(OC)cc(OC)c3)cc2C1=O 427078863 WPOJDEVQQGHFHW-UHFFFAOYSA-N 423.425 1.854 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3ncsc3c2)c1C#N 438232374 DBQWOEUGBNBFKR-UHFFFAOYSA-N 418.504 1.771 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccn(C2CCCC2)n1 460727534 OYDMIFNSXHSQDI-UHFFFAOYSA-N 418.461 2.014 30 10 HDEE COc1ccccc1S(=O)(=O)CCCN1CCN(c2ncccc2C#N)CC1 464274216 JDBOSNWPSRGYSR-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 464762298 JUZWRXWQIHPHHO-SFHVURJKSA-N 405.543 1.340 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)cc1 486611241 JXPDTXMXSHCNHD-LJQANCHMSA-N 412.446 1.790 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@@H]1[C@H]1CNC(=O)C1 490646442 FFVKKRPAZMHSEC-IEBWSBKVSA-N 415.538 1.942 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)[C@H](c3nc(C4CC4)no3)C2)n1 502048882 HLNIXXBERDDHAK-AWEZNQCLSA-N 412.454 1.050 30 10 HDEE N#Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)ccc1F 538275929 DDDLZKMJKWKVMF-OAHLLOKOSA-N 409.464 1.470 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](C[C@@H]2CCOC2)C(=O)O)c1 548536994 DOCPEQOOIPFNEQ-TVQRCGJNSA-N 403.254 1.479 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 549279713 LEIPPXFLXXLIPL-AXVVYFOYSA-N 424.567 1.919 30 10 HDEE C[C@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1(S(C)(=O)=O)CC1 553954726 ZRSKXLCTFTWARR-AWEZNQCLSA-N 418.519 1.884 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C(F)(F)F)CC3)CC2)cc1 554284909 CKKONXWJVIPWNB-UHFFFAOYSA-N 416.425 1.917 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)NCC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 578461183 SUIVBZGRUGVPGK-PBHICJAKSA-N 409.849 1.468 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N(C)CCCC)cc21 586360630 UWTGYTRHUBYQHF-MUUNZHRXSA-N 406.504 1.788 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 603788573 KTJIPGQZZYGXIA-UHFFFAOYSA-N 420.469 1.559 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c(F)c1 609257143 VBCFPEVGFLPAMH-UHFFFAOYSA-N 410.405 1.425 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CCN2C1=O 610584187 BUDQLNDFIIZFPX-MRXNPFEDSA-N 408.414 1.839 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cc1 614904211 DRAVJPHHCRLTKG-QGZVFWFLSA-N 412.511 1.826 30 10 HDEE C#C[C@]1(O)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 708166051 UUWGAZJVJDYJTQ-FQEVSTJZSA-N 404.488 1.099 30 10 HDEE CN1C(=C2C(=N)N(CCCN3CCCS3(=O)=O)CC2=O)N(C)c2ccccc21 725909546 JTTSRUAXOSGDIN-UHFFFAOYSA-N 403.508 1.072 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 731876972 MNECCLBUDJRQAM-MRXNPFEDSA-N 424.413 1.871 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732945100 YVTMBFOTAVKEND-GFCCVEGCSA-N 401.435 1.706 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 744724328 KKUTUQULMOCWAS-CMPZQBNXSA-N 401.463 1.983 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1 746167221 CDWQWCRYOAAIGL-DNTCVELPSA-N 403.410 1.853 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 748408257 TXZQOYJEUQHJTB-QGZVFWFLSA-N 404.488 1.982 30 10 HDEE C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 750433774 HOPFWKWGFNRJPK-KGLIPLIRSA-N 415.471 1.557 30 10 HDEE Cc1cc(C(=O)COC(=O)c2cc(C#N)cn2C)c(C)n1[C@@H]1CCS(=O)(=O)C1 751727962 DBVYOIVTKYNLEQ-OAHLLOKOSA-N 403.460 1.714 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 758065207 BSCGWFRBKCVTPV-UHFFFAOYSA-N 411.439 1.188 30 10 HDEE COc1ccc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1OC 766279161 HIRZXVGVQDMHKY-ZDUSSCGKSA-N 404.444 1.986 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[C@H]1CCS(=O)(=O)C1 774025439 LKLMXWDMOYOOTD-IRXDYDNUSA-N 405.476 1.458 30 10 HDEE C#CCN(C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1)[C@@H]1CCS(=O)(=O)C1 774033067 OYZMRTXHEAKOOE-QGZVFWFLSA-N 421.519 1.588 30 10 HDEE C#CCN(C(=O)NCc1cc2c(cc1OCC)C[C@@H](C)O2)[C@H]1CCS(=O)(=O)C1 774147969 KFGFGBRLFNYXGM-PBHICJAKSA-N 406.504 1.741 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774242966 GJDJCUFBPLSKLS-GOSISDBHSA-N 405.520 1.164 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 776181750 LUZKTWCRPGKHDV-VGWMRTNUSA-N 423.514 1.912 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 780280430 GWHSVZJYZZUJBM-UHFFFAOYSA-N 404.467 1.632 30 10 HDEE C[C@@H](CC(=O)NC1(CO)Cc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 781094374 CZLLRWGMIGRBEY-AWEZNQCLSA-N 413.499 1.150 30 10 HDEE COC(=O)CCN1CCC(=NNC(=S)NCCCN(C)c2ccccc2)CC1 788714963 OWWIXCUJOSWQOD-UHFFFAOYSA-N 405.568 1.992 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CC)O[C@@]3(CCOC3)C2)ccc1F 794305687 XNNVWMKVXVDEIZ-BEFAXECRSA-N 412.483 1.700 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)o1 796281091 XJCLWHIGIDFXPJ-MSOLQXFVSA-N 416.478 1.784 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)C(C)C)CC1 807194975 QNNDIYFQGSJEML-HZPDHXFCSA-N 410.515 1.525 30 10 HDEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)c1ccc(F)cc1 812748092 IYOACTLNERDIKX-QGZVFWFLSA-N 416.430 1.721 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2)n1 856710965 XORRVKWVKHXUCZ-VQTJNVASSA-N 406.483 1.790 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)N3CCCC[C@@H]3C)n[nH]2)cn1 1084025362 YIAYCBVHJUUNCN-ZDUSSCGKSA-N 406.516 1.587 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)N3CCC[C@H](C)C3)n[nH]2)cn1 1084137190 UARIFUJKUBBFQB-ZDUSSCGKSA-N 406.516 1.444 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1130018835 KADYFBVBSCZYFN-ROUUACIJSA-N 411.483 1.878 30 10 HDEE CC#CCNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1137919815 WMECFKQRVMHNMI-HXUWFJFHSA-N 405.454 1.909 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)NC)cc1 1138215144 VKXXCOWZXFNELB-GOSISDBHSA-N 401.488 1.238 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)n1 1139833711 OEFJUNFPTYTJSQ-UYAOXDASSA-N 412.465 1.208 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1148406075 KCVCBIHMZHQQRZ-MRXNPFEDSA-N 417.510 1.841 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)[C@@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1148719865 IDSYYZDPMXQMCZ-MAUKXSAKSA-N 401.488 1.691 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)c2cccc(C(F)(F)F)c2)CC1 1152968117 ZNCNZWOSUWJLKQ-INIZCTEOSA-N 417.453 1.811 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)CC1 1153821708 CZPRXZMVKXNIBY-UHFFFAOYSA-N 415.365 1.247 30 10 HDEE Cc1cc(C)c(Br)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1159491187 VXYAARMMAHLOHB-UHFFFAOYSA-N 403.236 1.897 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 1159641221 HMIPNFUCYQWWFQ-KGLIPLIRSA-N 410.268 1.437 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 1213680097 LWKIAAOMPGDTRJ-NSHDSACASA-N 402.270 1.733 30 10 HDEE CCONC(=O)CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1252653462 HCYAVJNAFGCEDP-BQBZGAKWSA-N 413.265 1.867 30 10 HDEE C#CCN(CC#CC)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1255637082 IDZJXLDQZNLUKM-KRWDZBQOSA-N 417.506 1.987 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)c2cc(C#N)c(SC)nc2O)cn1 1255773698 WJZCVUCTLKPXEE-ASHKIFAZSA-N 405.505 1.543 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)O1 1264645144 LKBSLBRADNINKW-OAZZHIDZSA-N 409.464 1.159 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1ccn(C)n1 1286463247 CHZYHTWOVZTDGX-UHFFFAOYSA-N 408.462 1.736 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCN(C)C(C)C)CC1 1286476290 SNGMHNLZVXKWMC-UHFFFAOYSA-N 424.549 1.812 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1286595572 DCGHXDCVRPPPRW-UHFFFAOYSA-N 424.505 1.645 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1286611562 LJRISWQMGOUJEX-AWEZNQCLSA-N 404.540 1.893 30 10 HDEE C=CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286834858 LDWQRGYKKXNCCH-RTBURBONSA-N 409.556 1.551 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287002760 NMCXMZFLRBFLTD-PQORCFSTSA-N 414.510 1.719 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1288997883 VDYCDBFHVMYDAU-SFHVURJKSA-N 408.506 1.940 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)N(C)C)CCCC2)s1 1293371477 LRECHLKLAPRTIC-UHFFFAOYSA-N 413.565 1.520 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 1294624405 ZAZNPMDLBOHEMF-ZZXKWVIFSA-N 408.373 1.838 30 10 HDEE C#CCn1cc(CNC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cn1 1297370163 SJCNPLHQURQZDG-NDEPHWFRSA-N 408.524 1.281 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCCn1ccnn1 1298285238 DNKGSRHSFKLAFZ-UHFFFAOYSA-N 419.493 1.590 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1298915428 AQEOHDQARDNODE-QFIPXVFZSA-N 423.521 1.551 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)C1 1300020832 NMKSXCSSDKHPRZ-PMPSAXMXSA-N 415.437 1.818 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1300363402 DWBBIWFZEFTXJD-HLIPFELVSA-N 422.551 1.368 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1300381376 DFKSGJABAWAGAP-CQSZACIVSA-N 400.449 1.903 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300843906 HRFNDNJKDVJKAM-GFCCVEGCSA-N 421.303 1.596 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N1CCCC1 1301272907 LSDAMKHOXWHGBM-HZPDHXFCSA-N 422.555 1.941 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1301349702 QUHDJLGSSQAUAG-KRWDZBQOSA-N 402.520 1.898 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCc2c(ccnc2O)C1 1301482852 DRMADJKAWGAOOI-UHFFFAOYSA-N 420.473 1.919 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301515410 UVHJIAYZHAYTHA-CALCHBBNSA-N 419.457 1.148 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)C1 1301556465 HSMFFVRSNRSEOA-DLBZAZTESA-N 409.556 1.057 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccc(F)cc2)c1 1301768704 UNZMEQIPAOZTOM-FQEVSTJZSA-N 404.463 1.461 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1301891869 ROTLAFBRWFGMLW-QFBILLFUSA-N 423.521 1.252 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCO)CCO1 1303003190 DELWAFQGNBETGL-AWEZNQCLSA-N 409.450 1.485 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1303635234 CGDZQYFFKHUZAN-BFYDXBDKSA-N 411.514 1.370 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(NC2COC2)C1 1304209236 ZTQVVHNDACDWON-UHFFFAOYSA-N 410.268 1.297 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN([C@@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)C1 1308014082 CRNGXWYVODYAIK-XOBRGWDASA-N 402.426 1.855 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)NC[C@@H]2CCCO2)c1)C1CCN(C)CC1 1311724771 WIUITNLLAHNIDQ-NRFANRHFSA-N 412.534 1.834 30 10 HDEE C=CCO[C@H]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1320037473 FNSCTXZZZZVROC-NSHDSACASA-N 421.475 1.264 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)NCCNc3ccc(C#N)cn3)CCO2)C1 1324653700 KLHHDPPZIYRQFI-UHFFFAOYSA-N 416.482 1.396 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1325858115 PSDDNIXLWLDDNK-UONOGXRCSA-N 420.543 1.385 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358955463 MMDKNVLHAHVKQJ-ROUUACIJSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1358997769 DQYBMMLQLSYFKE-QHCPKHFHSA-N 423.517 1.395 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)c2nccs2)CC1 1359028337 OMHOTTUAYYKVRP-INIZCTEOSA-N 413.551 1.530 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCNC(C)=O)CC1 1359035797 DVWSLVPLPHCZSJ-FQEVSTJZSA-N 424.505 1.072 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1359100627 DPLNQVXYWWYBHM-MJGOQNOKSA-N 417.535 1.480 30 10 HDEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359204026 AWLHYCBPXRHEDH-UHFFFAOYSA-N 418.586 1.814 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359328890 QQLGDIWLITUOSB-CQSZACIVSA-N 421.479 1.088 30 10 HDEE CC(C)(C)Cc1nnc(N2CCCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359537840 RGYDRWIWRSVWAA-ZCXUNETKSA-N 402.499 1.620 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1360784550 HBDJVTRZHPFWAL-HNAYVOBHSA-N 420.539 1.184 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1436930362 RUDLRFGFCUBOKD-KXBFYZLASA-N 423.535 1.094 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1438907112 GRLPQVQUSKFMRI-FOIQADDNSA-N 405.426 1.607 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C[C@H]2CC[C@H]1C2 1439612753 HXHZQDQGFKRGQA-QEFISFJRSA-N 408.520 1.531 30 10 HDEE C=C1CCC(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)CC1 1441392396 BUWROMFOXXWDPY-UHFFFAOYSA-N 404.492 1.848 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)Cc2ccc(S(=O)(=O)CCO)cc2)C1 1454679500 PIGIVGOGZVKWKQ-OAQYLSRUSA-N 413.499 1.474 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)cc1 1456024759 GAGBTHCRLRCVPG-IBGZPJMESA-N 414.483 1.759 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCc2nc(C#N)cs2)CCCC1 1456472935 DLULUYVHZTXASG-UHFFFAOYSA-N 409.493 1.527 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCOc3ccc4c(c3)CCCC4)C2)c(=O)nc1O 1457202569 RGFYILVZQQKJLX-UHFFFAOYSA-N 408.458 1.942 30 10 HDEE C=CCC[C@H]1CCCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1460887491 VZFSRTDEUHIQJP-IBGZPJMESA-N 421.563 1.754 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1464734040 OCOTZHHOKJDXHK-TWOQFEAHSA-N 402.520 1.573 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)CNc1ccc(C#N)cn1 1466156103 ANBHSQDGZJPJHG-UHFFFAOYSA-N 408.462 1.299 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](O)C(F)(F)F 1468826604 ZBIUBTOVUZDTOD-XHDPSFHLSA-N 421.441 1.713 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1 1469762730 QDYARMPWKINMBN-QZTJIDSGSA-N 411.462 1.584 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2ccc(C#N)c(Br)c2)CC1 1472688306 XHKCFTVBRXVIOG-CQSZACIVSA-N 409.328 1.984 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1478581125 IDQRHEAQLYGSJR-LJQANCHMSA-N 418.513 1.098 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1479381392 LASKEUXZGPGCOG-MRXNPFEDSA-N 408.421 1.920 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1499162738 UMNWQZSPDISWTE-SFHVURJKSA-N 424.553 1.402 30 10 HDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1504801383 HLOBNDZQCXMYCA-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN1CCCO 1507526235 LMEQRHFZQGUJEI-AEFFLSMTSA-N 411.506 1.979 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1507535833 ZSAGFUFKRTUBRM-GFCCVEGCSA-N 400.464 1.096 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO2)c1 1507550866 RAJKMUBZSZLEJN-ROUUACIJSA-N 422.489 1.464 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1507664114 GZTFUCPSMLGVGB-UZUQRXQVSA-N 424.501 1.965 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1507685478 QGYNYKOVKREIJN-AWEZNQCLSA-N 410.434 1.122 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1507697877 NJFYRMYIJKHFET-UHFFFAOYSA-N 424.530 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1507724755 JEWQGDYUVPKAQF-RBUKOAKNSA-N 410.570 1.554 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507755530 VEUMUOROPDCEGG-GHTZIAJQSA-N 419.595 1.840 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1507757540 ZRKOSXIOKDZGKT-UHFFFAOYSA-N 400.508 1.519 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1507888591 OGCVEQPFRMAAMC-QFIPXVFZSA-N 408.506 1.952 30 10 HDEE CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1517584295 KNBIKRGEOGPFFG-MSOLQXFVSA-N 421.505 1.394 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)cn1 1519184053 UMANMIYGVKHSDX-LJQANCHMSA-N 407.478 1.933 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1530734451 GPVDMCFYLBAWGC-INIZCTEOSA-N 422.503 1.013 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1531978030 LBGMGYLWEFPNND-VLIAUNLRSA-N 415.519 1.769 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1534274691 GZHWDCJPHFGROY-HXUWFJFHSA-N 405.520 1.792 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(C)[C@@H]1CC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536632297 CMJZKRZZVGFNLX-XITVERIXSA-N 413.562 1.593 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCS(=O)(=O)C[C@@H]1C1CCC1 1537178485 ZEKLYCCTEJZPGV-JKSUJKDBSA-N 413.540 1.999 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539231772 YBGZLWPEDVMFFC-GOSISDBHSA-N 416.547 1.461 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1CCn1cncn1 1539392546 SRSXJNMANYHBRQ-UHFFFAOYSA-N 422.468 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCNC(=O)C2CC2)CC1 1539441397 NTKGVGDTAIICHF-UHFFFAOYSA-N 412.925 1.880 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccc(C)cc2)CC1 1539445625 BFNASNTYBXYJRQ-ICSRJNTNSA-N 422.533 1.760 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539505957 OECBXFBXVYTVEP-OAHLLOKOSA-N 407.565 1.663 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1540069838 YMKOTCJEGBLAAA-HNNXBMFYSA-N 409.494 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC(C)C)C(C)C 1540897193 CTNYFNQJWBNBCQ-UHFFFAOYSA-N 411.572 1.986 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1541095699 JWPQEPTYQHYZPK-KRWDZBQOSA-N 418.885 1.765 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1541699338 QITGKYUSYWCKFV-JKSUJKDBSA-N 410.434 1.455 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@H]3C(C)(C)C)cc2C1=O 1544768110 XSQLGKSNPONVIC-INIZCTEOSA-N 404.488 1.754 30 10 HDEE COCCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1555412522 FBKFGLFNXSXWGG-AWEZNQCLSA-N 416.482 1.797 30 10 HDEE Cn1cc(C[C@@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1557093192 HKSUZWYAAXSQQZ-GWWPLSDWSA-N 417.510 1.227 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)cc2C1=O 1584909204 OYGXAVLURNRZAH-UHFFFAOYSA-N 417.468 1.648 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1587569382 XHIMRHIMOGFXED-IERDGZPVSA-N 405.543 1.939 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1587984655 IKZVPNOQYJJMQM-UHFFFAOYSA-N 406.498 1.181 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1588049985 OSZYTZZZKLHDPK-QGZVFWFLSA-N 414.535 1.162 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccsc1 1588180366 DCRZOYJFMACTPI-HNNXBMFYSA-N 405.549 1.655 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Cl)cn1 1588186144 SYPPTRRXFGBDMT-HXUWFJFHSA-N 416.913 1.943 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1588262526 GMMGHFAOTJIQLK-INIZCTEOSA-N 414.485 1.359 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1588271520 KUBYPPAORIMJAU-OAQYLSRUSA-N 412.494 1.929 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1588968910 RZXRODRDACYKHR-AQOAWAETSA-N 415.538 1.647 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC)C1 1588975908 NABFCRJVPOJQAE-OAHLLOKOSA-N 420.583 1.525 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1611768713 BBEXDODFOONNOB-OAQYLSRUSA-N 423.521 1.676 30 10 HDEE COC(=O)[C@@]1(CNc2nc3c(c(C#N)c2C#N)CCCCCC3)C[C@@H]1S(C)(=O)=O 1612844304 IHDMBNKBGLKJNZ-FXAWDEMLSA-N 416.503 1.872 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 1616613036 RMSJZHSYQSHLEK-UHFFFAOYSA-N 403.479 1.079 30 10 HDEE COC(=O)c1n[nH]cc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1616723714 KNSIVBFXNFZQBL-WZEQGRABSA-N 403.439 1.922 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 1621081573 QROVBYANHBDHOQ-UHFFFAOYSA-N 410.536 1.693 30 10 HDEE COCCNc1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1 1621715043 JGDUTLLTSBEIKO-CQSZACIVSA-N 409.512 1.715 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cccc4c3OCCCO4)C2)nc1 1622192436 GZYDTJDBTZZVRM-OAHLLOKOSA-N 401.444 1.957 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1 1622783530 OFJIJMNOFQRKFL-INIZCTEOSA-N 402.476 1.885 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnccc2C#N)CC1 1625328055 UUNXCJKNVGYSRR-INIZCTEOSA-N 403.483 1.532 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(CCC#N)c1C 1629115406 VTANWHILOVIFIH-MRXNPFEDSA-N 419.482 1.730 30 10 HDEE Cc1ccccc1-n1nc(C)c(CN(C)C(=O)CCn2cc(C#N)c(O)nc2=O)c1C 1631122560 DDZKQYSMDDXQSV-UHFFFAOYSA-N 420.473 1.980 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)c1 1631208967 RUWGJHQIUWGEPX-WMZOPIPTSA-N 420.531 1.487 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H](S(N)(=O)=O)C2)ccc1OC 1631595735 HXJLDLPODPJFNM-GJZGRUSLSA-N 410.496 1.339 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2OCCNC(=O)[C@@H]21 1632871596 GYFQBZMYZMUUBD-BFHYXJOUSA-N 401.891 1.528 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1633897582 AZGNLQAEAWDBFN-KRWDZBQOSA-N 408.462 1.425 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@]1(O)CCOC1 1634919389 ZMHSZCUVYDSWFH-LAUBAEHRSA-N 400.479 1.136 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)OC2=O 1635194719 XKHGSJYSBJMSIC-AWEZNQCLSA-N 402.451 1.949 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)Cc2cc(C#N)cs2)cc1 1636255486 RQWZVYMJZDFUPY-UHFFFAOYSA-N 421.500 1.733 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(C)(C)C 1637513833 QHWOEWJGUHISMM-CQSZACIVSA-N 419.482 1.533 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1639973912 PRBMRHAAFHRYKD-HOTGVXAUSA-N 422.407 1.576 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2csc(Nc3cc(F)cc(F)c3)n2)CC1 1640202343 YVVAUKOOYBZFRE-UHFFFAOYSA-N 419.457 1.672 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc3c(OC(F)(F)F)cccc3[nH]2)c(=O)nc1O 1641033390 AHVFTDYWQNHGDY-UHFFFAOYSA-N 407.308 1.630 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(Br)cc1 1641518701 YIOZPIHEUCXICE-AWEZNQCLSA-N 400.298 1.155 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@H](Cc2ccccc2)C1 1642327117 HYKLHGPSSVOUFZ-QGZVFWFLSA-N 412.515 1.158 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1C 1645737930 PVMSNBAEMKYWFM-UHFFFAOYSA-N 406.504 1.836 30 10 HDEE Cn1cc([C@@H]2CSCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1647949498 VCPMPLWMGIPMKM-KRWDZBQOSA-N 419.532 1.277 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@H]2OCCNC(=O)[C@H]21 1648123628 ISWPPVLIEWOMGP-OGWOLHLISA-N 402.520 1.856 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCC(=O)NCc2ccc(C#N)cc2)C1 1648330856 UZSQKFZAALPXGB-NRFANRHFSA-N 402.495 1.526 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1648790573 MMHOTCXHOMFHKL-LSDHHAIUSA-N 402.357 1.609 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1=O 1652920117 VCLADNZWYKKPPR-HBMCJLEFSA-N 410.518 1.791 30 10 HDEE COC(=O)[C@H](c1ccccc1Br)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654885969 UOHJNYQLCFYVAD-PJODQICGSA-N 413.293 1.533 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@H](O)[C@@H](F)C1)CCCC2 1660563162 QEMVHJFNLWNDCO-FNHZYXHNSA-N 404.486 1.761 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1668231537 PVWZCUCPCSSFEQ-ROUUACIJSA-N 400.527 1.949 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)nn1 1670102274 GSAMOUQYRCNGJX-KRWDZBQOSA-N 400.439 1.086 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2OCCN2CCOCC2)C1 1677512643 BRFQJDJJSKBNCT-FQEVSTJZSA-N 400.523 1.294 30 10 HDEE C[C@@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1681283358 KBRXBJMWSCUJKN-AUUYWEPGSA-N 401.488 1.991 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1682700431 CWKRZTOKVMBVOV-LJQANCHMSA-N 404.511 1.474 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1684024777 GTBUQTMCLZSSJV-CABCVRRESA-N 419.544 1.037 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1686475784 HGEVLUFGXKLUGT-IBGZPJMESA-N 402.539 1.594 30 10 HDEE Cn1nnnc1CCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1687827113 CVGFMXPVICKVSO-UHFFFAOYSA-N 405.466 1.094 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690169555 GMKFQDQXBWFIES-HNNXBMFYSA-N 408.553 1.058 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2CSC)nnc1[C@@]1(OC(C)C)CCOC1 1690677279 SYWSJSMTNHIONB-OXJNMPFZSA-N 423.583 1.953 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1690733955 RNRZQJWTNHNCPD-CQSZACIVSA-N 408.572 1.783 30 10 HDEE CC(C)CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1692405807 FSSZADSXTUQEQY-FMQUCBEESA-N 409.494 1.883 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1694884675 GDFUDZCWXPZLTH-HNNXBMFYSA-N 402.524 1.944 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)C1=O 1696873535 KQAGKXIXUNGTKQ-HXUWFJFHSA-N 408.466 1.144 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)COCCO1 1698239027 SMEKMNQGBGEVCD-ZWOKBUDYSA-N 405.499 1.548 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705508279 LTJQXPUJPKLNPR-MRXNPFEDSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705550748 VTZJVEIAAQWQBB-KRWDZBQOSA-N 418.461 1.188 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1705612680 MEGNLXDFJPKAFP-INIZCTEOSA-N 412.519 1.644 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1705617811 IQLUFPHMMLTPFX-HNNXBMFYSA-N 404.515 1.898 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2CC2)CC1 1705653006 WDTIZQHDUHNGNO-OALUTQOASA-N 415.538 1.768 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705696367 GLLXOEVMLAQVCP-TZIWHRDSSA-N 416.570 1.702 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCS(=O)(=O)CC 1705757911 BXRHNTCQYLTFKE-UHFFFAOYSA-N 400.936 1.763 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705908897 XNCHBIWQUHRGGR-UZLBHIALSA-N 407.515 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1705934981 CTYAUWILEOJVCF-UHFFFAOYSA-N 415.523 1.235 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1706153142 FZQOALNZHYOADS-HNNXBMFYSA-N 401.515 1.664 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1710446933 BOVRCXORCREQCK-WOJBJXKFSA-N 402.499 1.148 30 10 HDEE CCOCCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1710805689 LFBPTLJXBUZFBQ-NQIIRXRSSA-N 418.542 1.533 30 10 HDEE CN(C)CCOCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1711017396 LPJYNHCESCDCAN-SFHVURJKSA-N 418.473 1.303 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1712879925 RDMMEHPCTYPKHD-HZPDHXFCSA-N 400.389 1.970 30 10 HDEE C=CCCn1cc(C(=O)N(C)CC(C)(C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1718125447 XZSAVEZUAUJDBO-DZXRDFMUSA-N 401.511 1.492 30 10 HDEE CC#CCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1719922809 APFQNMJJTIZANU-WDTWZTHCSA-N 402.413 1.774 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722331281 BBGQAIBSOFJPTH-UHFFFAOYSA-N 404.478 1.879 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccnc3)n2CC2(O)CCC2)n1 1722428053 QIWUCIPFKXZOKP-UHFFFAOYSA-N 421.505 1.738 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCS2)CC1 1722433441 VMUOMPQWKIMJMP-YLJYHZDGSA-N 405.568 1.581 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ncn(C)n2)CC1 1722441513 RVCCJOQCAMWLPM-UHFFFAOYSA-N 420.521 1.004 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1722453411 SGBSNUQKBPOCNK-UHFFFAOYSA-N 406.556 1.230 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722534650 UYBJPPOVUIAIGO-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CC2)CC1 1722536110 RKVISOWMWMRIHC-UHFFFAOYSA-N 402.543 1.525 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCn2cnnn2)CC1 1722580876 PAGJRDZQHCPWEE-IRXDYDNUSA-N 402.503 1.481 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1722706411 RDABIQAVWNOINB-UHFFFAOYSA-N 408.503 1.174 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)cs1 1725343930 MEWGLYIBWSPOSV-SFHVURJKSA-N 407.519 1.654 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1740531591 OXFMYLKLJQTJNT-XGHQBKJUSA-N 401.511 1.700 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1740788666 VLUMVVPJVXAOEK-XLIONFOSSA-N 404.559 1.558 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1740926394 WNLZAJRWSSRYFZ-OAHLLOKOSA-N 416.507 1.539 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC(C)(OC)C1 1740953404 FJJFJCDGCCRZHW-UHFFFAOYSA-N 409.288 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCO[C@H]2C(=C)C)C1 1740981319 VMAWTLLUWWMKBN-VXNCWWDNSA-N 401.511 1.992 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1743153715 QKXNYKLCQOSEMU-NYAYQYMKSA-N 422.493 1.744 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nnc(C)s1 1747129158 BOFCTSGTDAZWHR-UHFFFAOYSA-N 412.479 1.558 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1747368245 LDQGSSVGIPIXHN-GHTZIAJQSA-N 418.542 1.532 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1748814359 DQSFACYXGVEOLJ-KRWDZBQOSA-N 421.567 1.477 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(N(C)C)CCOCC2)CC1 1748983777 CSMPCRLKFVQYEB-UHFFFAOYSA-N 411.554 1.150 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCNc2ccccn2)CC1 1748984227 NKUWPTFTOXCYHZ-UHFFFAOYSA-N 404.522 1.936 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1749084293 QNUGLWCISALTQR-SRVKXCTJSA-N 422.349 1.411 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](C2CCOCC2)C1 1749676656 YIZJSFSCWVOSCL-GOSISDBHSA-N 410.522 1.819 30 10 HDEE COCCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1749688671 KAZCNDOOVNSMHV-ZPHPHTNESA-N 402.499 1.935 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749740578 GUFKXOQYJUSPOJ-YESZJQIVSA-N 410.540 1.736 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1749744399 JNOLUXUALZZOFP-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE COCCN(C)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1749778559 HIJOMCROFHYATR-OAHLLOKOSA-N 424.509 1.768 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1749824260 CXSLIKQSABHTNR-IRXDYDNUSA-N 404.494 1.299 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1750060677 IGJDZGLEMASUFN-SJCJKPOMSA-N 423.315 1.793 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1750468460 JHDITCVGZWPLLQ-XOBRGWDASA-N 401.515 1.985 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1750596715 FCKZMEIZYSWVHV-OKZBNKHCSA-N 404.515 1.215 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1751097105 DMXGNRKTCRDMJL-MRXNPFEDSA-N 403.531 1.250 30 10 HDEE Cc1c(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1C 1751375309 JDLUGPLTGMILES-WOJBJXKFSA-N 417.489 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNC(=O)c1ccccc1F 1760201620 XEYXRIYUCGJPDR-UHFFFAOYSA-N 402.433 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1760206225 UIHHMIKAUCVOAT-LJQANCHMSA-N 423.521 1.186 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCSC1 1760210710 TZRXLWSEYNLOLR-HXUWFJFHSA-N 400.479 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1760217644 ITMIPQXXFJOAMB-IBGZPJMESA-N 418.501 1.431 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC1CCN(CCN(C)C)CC1 1760222680 UZKJQKACJJFUFM-OAQYLSRUSA-N 412.582 1.866 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1760224962 DOCWXTLIQFFTAM-IRXDYDNUSA-N 410.588 1.612 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(C2CC2)C1 1760243437 KGLVWIGAFJJRKW-QGZVFWFLSA-N 400.527 1.084 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1760286539 NRKVFMOOMDXXNV-UHFFFAOYSA-N 420.583 1.115 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2csc(N3CCOCC3)n2)n1CCOC 1760293138 PBFREFSWVAWSMB-LJQANCHMSA-N 402.524 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCN1CCN(C(C)=O)CC1 1760299426 UKEBKBCHMUQETL-WIYYLYMNSA-N 400.527 1.286 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1760514433 FTMVHLWJONNFIK-SFHVURJKSA-N 424.505 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760518135 JTLVXUVJFVQINB-QGZVFWFLSA-N 424.505 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760555603 IUFDTLJDYIHYTK-BRWVUGGUSA-N 410.540 1.388 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(O)CCOC2)cs1 1762285255 IFPFOZUMEKXQEK-RBUKOAKNSA-N 402.524 1.915 30 10 HDEE Cc1noc(C)c1CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1762643024 AWTUIKPAHKCREF-OAHLLOKOSA-N 422.449 1.502 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1764765138 HXMIPYNODTYTLY-YJBOKZPZSA-N 416.551 1.780 30 10 HDEE CCOc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1766101223 HYASEXVUWPDIEZ-KRWDZBQOSA-N 417.473 1.970 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1772564042 QLYDWPIYAKPBAK-QGZVFWFLSA-N 424.553 1.989 30 10 HDEE C=CCN1C[C@H](C(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1=O 1850254054 PESNBSLYXHJXPO-OAHLLOKOSA-N 424.436 1.460 30 10 HDEE CC[C@H](C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1)N1C(=O)COc2ccccc21 1851383093 MFZLNIYSXFYNMQ-JKSUJKDBSA-N 408.414 1.821 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1)c1ccccc1 1851855187 HZBHPBXSWODLNU-OAHLLOKOSA-N 402.520 1.922 30 10 HDEE Cc1nc(C(=O)N2CC[C@]3(C2)C(=O)N(C)C(=O)N3C)c(C#N)c(C)c1Br 1852421893 OGTWWMODDSUZOL-KRWDZBQOSA-N 420.267 1.441 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)CC2 1852729812 ORHZINHPJISOHQ-RTBURBONSA-N 401.532 1.480 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 1853136404 FTRIRFNKHRBIJE-UHFFFAOYSA-N 421.505 1.671 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCC(C)(c3nc(C)no3)CC2)cc1 1853577146 DKQHWPBQNDEVIG-UHFFFAOYSA-N 401.467 1.994 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)CCOc3ccc(OC)cc3)C(=O)C2)C1 1854408552 HXRNIKGCAPNBHG-GOSISDBHSA-N 401.507 1.785 30 10 HDEE Cn1cc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C23CCCC3)nn1 1854489958 QFSKSXITDDPBEY-UHFFFAOYSA-N 406.490 1.803 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1 1855299852 ITUATXGSRSSNSD-LEWJYISDSA-N 410.518 1.415 30 10 HDEE CC(=O)CCC(=O)N1C[C@@H](CN2CCC(COc3ncccc3C#N)CC2)CC1=O 1857143791 FBLMTLMGRMQMCC-GOSISDBHSA-N 412.490 1.788 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3c(c2)ncn3C)C1)[C@H]1CCN(C)C1=O 1857277471 UYVUUHPIPXOHED-BEFAXECRSA-N 409.490 1.281 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)Cn3nnc4ccccc43)C1)CC2 1857287463 PVUPUSUMZSHMCJ-DLBZAZTESA-N 406.490 1.822 30 10 HDEE CCc1cc(S(N)(=O)=O)ccc1OCCNS(=O)(=O)c1ccccc1C#N 1858022451 XSIMBKZBTXWGQW-UHFFFAOYSA-N 409.489 1.125 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862626469 CEZITZFFEDIRQQ-MLCYQJTMSA-N 413.382 1.786 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)CCc2nc(O)c3ccccc3n2)c1 1867264666 YWMWAACHAWSWNO-KRWDZBQOSA-N 405.414 1.255 30 10 HDEE Cc1nc(SCc2cc(=O)c(OCC(N)=O)cn2CCCO)c(C#N)c(C)c1C 1870185425 UMFAHQYGOPIXFO-UHFFFAOYSA-N 416.503 1.579 30 10 HDEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCNC(C)=O 1870350167 SKSPQKWZJBGJMI-UHFFFAOYSA-N 412.490 1.249 30 10 HDEE C=CCOc1cn(CCCOCCCC)c(CN2CCN(CCO)CC2)cc1=O 1870383441 HBOVXSBIXZKMHR-UHFFFAOYSA-N 407.555 1.730 30 10 HDEE N#Cc1ccc(NC2=C(c3cccnc3)C(=O)N(CCN3CCOCC3)C2=O)cc1 1873271234 RZCLLGKBOABSIR-UHFFFAOYSA-N 403.442 1.477 30 10 HDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)NC[C@H]2CCCO2)n1N 1874554299 HGQKODBOZVRAJY-CQSZACIVSA-N 419.507 1.523 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(C(N)=O)CC2)[C@@H]1c1ccc(C#N)cc1 1889272666 JRRCHONOAYZISF-RBUKOAKNSA-N 414.531 1.676 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 1962321865 ZZJGXGFVHXHNMU-UZJPJQLHSA-N 417.347 1.990 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1982304433 QTUXNGJCEAGXSO-VXGBXAGGSA-N 413.334 1.839 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2C(=O)C#CBr 2018054179 FWMMMTUKQAFJJH-UHFFFAOYSA-N 400.273 1.070 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](S(C)(=O)=O)[C@H](N=c2[nH]c(Cl)c(C#N)s2)C1 2072516894 GYEWNCJCAXNRKR-SCZZXKLOSA-N 406.917 1.534 30 10 HDEE C#CC[C@@H](COc1nc(Cl)nc2c1S(=O)(=O)CC2)NC(=O)OC(C)(C)C 2128051694 ZAIKVPPIGPOAEL-JTQLQIEISA-N 401.872 1.755 30 10 HDEE Cn1nc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2243384745 VQZLUTWGDVQGSR-NWDGAFQWSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)NOCCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243405831 NRFHISMXIHABIF-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2247825332 BUCMYYKSMZFSFU-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE Cc1nn(C)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247826920 BLEYMDJNCXTRIP-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2250273458 RRQRVFOFTYIXHK-GXTWGEPZSA-N 420.319 1.742 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NCc2ccn(Cc3ccccc3)n2)OC1(C)C 2256067734 SFFFWSNVARAMEC-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE C#CC[C@@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258950147 RPWFOUKNZYHMAR-IAGOWNOFSA-N 408.476 1.272 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)[C@@H](O)C(F)(F)F 2265291966 CURSQJWQVUCFQU-GJMOJQLCSA-N 404.407 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NOCC(F)(F)C(F)F)[C@H](O)C(F)(F)F 2265329838 HTNMJTUPXXWVBQ-RITPCOANSA-N 402.263 1.751 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@H]3CNCCO3)sc2Cl)OC1(C)C 2281967582 ZDXQZLCCVBZJNT-NSHDSACASA-N 400.737 1.809 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CC[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315673 QWVGIJOTLMNDJF-UOXLDJKESA-N 421.415 1.791 30 10 HDEE CN([C@H]1COC[C@@H]1O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282317537 SMEYBKADIXEWFJ-QWRGUYRKSA-N 423.749 1.081 30 10 HDEE CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336539 FRBKMVBHILDVDF-NSHDSACASA-N 402.347 1.192 30 10 HDEE C[C@@H]1CN(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282344887 MSVNPFQCFOQQKL-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CN(CC(C)(C)CO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282408369 HPZVXKMLYYJUPF-UHFFFAOYSA-N 404.363 1.222 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H]2C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282833962 NGUIZSCMPQTIAY-BETUJISGSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)C[C@@H]1C 2282835546 WLIFROQSYZOEFG-WCQYABFASA-N 401.359 1.890 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](CO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282835747 YJOKVJVPFWNFFA-CYBMUJFWSA-N 401.359 1.653 30 10 HDEE CC[S@@](C)(=O)=NCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849411 BABWIRVEKFEMBX-RUZDIDTESA-N 422.403 1.443 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401523 BCSMWCLYUBCYTD-NSHDSACASA-N 403.331 1.578 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284417917 RLKMYUFTNSYXOL-LLVKDONJSA-N 403.331 1.839 30 10 HDEE COC[C@]1(C)C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284698069 WDTMYPJFTIVWOX-GUYCJALGSA-N 401.359 1.892 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300229098 SIMJWLJKQCAQDI-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2342064476 SFSKKBVCNZPGIE-WIYYLYMNSA-N 420.531 1.319 30 10 HDEE COC(=O)CS(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343819291 AUHGGXKCDIUMRT-UHFFFAOYSA-N 409.722 1.293 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CN(CCN(C)C)C(=O)OC(C)(C)C 2367783159 FEKXASMJPGCVEI-INIZCTEOSA-N 401.573 1.344 30 10 HDEE C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367789219 QZIRDEONFBHPCM-QKPAOTATSA-N 400.541 1.745 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CO1 2367801446 RWPGXVOUKCWGTL-PMPSAXMXSA-N 400.541 1.604 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367811511 JBTREPGDHKKQAD-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367832321 ZJCJTCUEFCJFPF-CABCVRRESA-N 402.557 1.599 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)CCSCC(N)=O)OC1(C)C 2369891946 KUBFZJOMJKCCDV-UHFFFAOYSA-N 418.777 1.926 30 10 HDEE C=CCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 2617332 MYKHFONSXPLZAW-UHFFFAOYSA-N 414.483 1.893 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CN3C[C@H](C)O[C@@H](C)C3)cc2)CC1 106032376 YBVJGZPTJWEJQJ-OALUTQOASA-N 414.550 1.356 30 10 HDEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CC[C@H](Oc3nccnc3C#N)C1)C(=O)C2 219984803 IKUBNOYPRPRMJB-CKFHNAJUSA-N 404.492 1.527 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 254871522 ZTSBKYPYOTZJOB-NEPJUHHUSA-N 404.416 1.431 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)C2CCCCC2)CC1 409597657 SPEHMBRYIGGSEJ-UHFFFAOYSA-N 400.545 1.254 30 10 HDEE C=CC[C@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 410071338 SCIVIRBCAYXUCW-MRXNPFEDSA-N 414.319 1.759 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410425997 FGZXKNZFHIGAIG-ZJUUUORDSA-N 421.397 1.312 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)n(C)n1 446938628 JJMSPUXIYAUGMM-SFHVURJKSA-N 408.510 1.496 30 10 HDEE CCOC(=O)c1cnc(N2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 464760830 KFBJCKKAMMDNOM-KUHUBIRLSA-N 407.540 1.885 30 10 HDEE N#CCN1CCC(CNC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 464976755 ZWXWIAWTZODSJO-LJQANCHMSA-N 400.498 1.959 30 10 HDEE CC(C)(C)n1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1 478059189 MBFUIOKKWNLFPE-UHFFFAOYSA-N 402.480 1.051 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NC[C@@H]3CCCN(CC#N)C3)CC(=O)N2C(C)(C)C)cn1 480119754 SLZXYMORGNEJHO-KVSKMBFKSA-N 400.527 1.460 30 10 HDEE CCN(CCC#N)C(=O)CN1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 483468790 CUPGWXZHCBRKNO-IBGZPJMESA-N 406.914 1.934 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)c(F)c1 489618052 MZAPSUGDJOGAIV-QGZVFWFLSA-N 407.423 1.992 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(Cc2nc(C)no2)CC1 500318416 AWXZYVJIBJKROC-INIZCTEOSA-N 412.494 1.840 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C#N)C1CC1)n2C 505917168 NNMMPWYXLBLSHP-QGZVFWFLSA-N 417.535 1.955 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508861029 AOLPXHWTABGRGO-GOSISDBHSA-N 417.558 1.861 30 10 HDEE C=CCOc1ccc(CNc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 512621953 GAVAFCUXMKGHCX-UHFFFAOYSA-N 401.488 1.984 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)n1 545462023 FNHRBFHAYOXFQX-KRWDZBQOSA-N 403.442 1.121 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 549326192 KEHZBWDKJYLKJN-HOTGVXAUSA-N 423.583 1.887 30 10 HDEE Cc1csc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 553421001 PPEAGGZBDMZCEV-CZUORRHYSA-N 411.487 1.418 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(C)CC(=O)Nc1ccccc1C(=O)O 574459658 UAGRTRSSLQDGQK-UHFFFAOYSA-N 403.416 1.524 30 10 HDEE C=CCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 574705230 RKPAAWWWDWSENY-UHFFFAOYSA-N 406.468 1.446 30 10 HDEE C[C@H](C(=O)O)[C@@H](NS(=O)(=O)N(C)CCC#N)c1ccc(Br)cc1 576458652 ACYQLWZVWMPKNN-GXFFZTMASA-N 404.286 1.891 30 10 HDEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 586980858 UZBCKHMZNLQLQY-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC1 604662179 UEBXOOMANZJZCN-KRWDZBQOSA-N 409.481 1.197 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)ccc1Cl 609678827 GERNPEBPRSPDIN-UHFFFAOYSA-N 403.844 1.477 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 618999607 FTKYZIKSNSGREC-ZDUSSCGKSA-N 405.270 1.519 30 10 HDEE NCC#Cc1cc(F)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703978567 CRVRJMJMALMXLA-UHFFFAOYSA-N 415.446 1.564 30 10 HDEE C=CCOCC(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 729765258 DAOPZNHXLUTWBC-GFCCVEGCSA-N 400.453 1.018 30 10 HDEE N#C[C@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)N1CCS(=O)(=O)CC1 732909784 GPKGTUTZILITJT-GOSISDBHSA-N 416.499 1.494 30 10 HDEE COc1cccc(C[C@H](C)NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 732967104 ICKZSYAHSKHZQA-AWEZNQCLSA-N 401.488 1.871 30 10 HDEE C=C(COC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)C(=O)OCC 734028729 MMTYRJDSPSJHTL-UHFFFAOYSA-N 417.505 1.417 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(O)nc2ccc(Br)cc12 738660642 HBTWCXKZHLETQN-UHFFFAOYSA-N 408.208 1.872 30 10 HDEE C#CCCN1CCC(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 740737524 PQMWFUYZNDTYBZ-OAQYLSRUSA-N 408.502 1.066 30 10 HDEE CC(C)[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccccc1F 741340443 DWYDNEWOMATZDL-LFVOPCPISA-N 417.437 1.926 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(C#N)c1 746953657 LCWCVQUPUWNBEB-BDJLRTHQSA-N 409.851 1.378 30 10 HDEE N#Cc1cc(COC(=O)[C@@H](CO)NC(=O)c2cccc(Br)c2)ccn1 747038022 RAWVZPDLJKYGNJ-OAHLLOKOSA-N 404.220 1.550 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)c1cc(S[C@@H](C)C(=O)NCC#C)ccc1Cl 750954284 VKYXKGDPCRKILJ-STQMWFEESA-N 406.891 1.865 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756136791 VMQFNAHKDIHGFK-ZDUSSCGKSA-N 410.459 1.183 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)[C@H](C#N)C1 758757849 HOLOHIWKOZZSSY-GDBMZVCRSA-N 418.473 1.811 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)c2ccccc2OC)ccc1F 762327220 HWCJGVRZQKBRPM-MRXNPFEDSA-N 408.451 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 764636405 SHZDCIKTKKPHPB-INIZCTEOSA-N 401.467 1.238 30 10 HDEE COc1ccccc1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767672880 ADVBQMVNJUFYLZ-ZDUSSCGKSA-N 417.443 1.416 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)Cc2ccc(OCC#N)cc2)CC1 774977079 DYAASFQPIJHGPL-UHFFFAOYSA-N 410.492 1.505 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776840310 YRWLFUJJTKKYIO-MRXNPFEDSA-N 415.494 1.581 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 776918612 OPAUKADVEOIPCF-WIYYLYMNSA-N 400.454 1.936 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)n(C)c2=O)C1=O 782985556 IILQWHXLQAEWHV-QGZVFWFLSA-N 423.498 1.833 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](O)c2ccc3c(c2)OCO3)cc1 787732816 PEDAESLOQHIDID-DJJJIMSYSA-N 416.455 1.179 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)n1 789014821 URNZQOUJNIETRQ-HXUWFJFHSA-N 409.490 1.870 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(C[C@@H](O)COc1ccc(C#N)cc1)S2(=O)=O 790026522 MNYZXVMLMSBKLR-CYBMUJFWSA-N 418.427 1.160 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)C1C[C@H]2COC[C@@H](C1)C2=O 790868147 IQIISEWWHYOCJN-CLYYMRHHSA-N 416.377 1.624 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCC(CNS(C)(=O)=O)CC2)cc1 796253309 GZUORTFYAMCREQ-KRWDZBQOSA-N 406.552 1.891 30 10 HDEE C[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCO[C@H](C)C2)O1 797415827 GZNRMEIXALXATL-JLHGSKIFSA-N 412.490 1.938 30 10 HDEE COC(=O)[C@@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(Br)c1 798433056 UXMAIABFFWNWNZ-QFYYESIMSA-N 406.240 1.678 30 10 HDEE COc1ccc(Br)c(CS(=O)(=O)NC(=O)c2cc(C#N)cn2C)c1 802257396 YECPMHFRIYKZSB-UHFFFAOYSA-N 412.265 1.928 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCn2cnc(C#N)n2)[C@H]2CCCO[C@H]2C1(C)C 804620571 RJMMLJQXFMMIQW-AGKSTNPPSA-N 418.498 1.364 30 10 HDEE Cc1cc([C@@H](CC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C)cc(Cl)n1 804820734 NRDFCELFIUWUEL-CYBMUJFWSA-N 409.874 1.755 30 10 HDEE CC#CCS(=O)(=O)NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 810776753 HDCGXKMHYAFRQF-UHFFFAOYSA-N 408.295 1.244 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 813659035 LOJBLYXSGQXIQR-UHFFFAOYSA-N 418.446 1.843 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856620985 LSENXPAAMCKUAH-UHFFFAOYSA-N 409.490 1.603 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1135665894 NWALRLJMUUAKNW-AWEZNQCLSA-N 407.414 1.937 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Nc3nccs3)cc2F)CC1 1136632641 FPNWAQNKCOLLRF-UHFFFAOYSA-N 415.494 1.923 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)c1 1137066704 AXYCHZCNDMVTLO-UHFFFAOYSA-N 403.504 1.167 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1137575894 GUDGPSSGVDRMNG-DOTOQJQBSA-N 416.457 1.213 30 10 HDEE C=C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1148559679 VMVWTTZFCJULOH-OAHLLOKOSA-N 404.444 1.171 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1158280995 OBIDYBOTLPTNPD-MGPUTAFESA-N 405.426 1.607 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1C#N 1160493911 SZCIOHMWSBHSEV-OAHLLOKOSA-N 412.469 1.602 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)s1 1161536961 ZUEYZXQSHKXBGJ-UKRRQHHQSA-N 424.548 1.525 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)CC2)cc1 1168716214 GMCRMXLZLBVFKL-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccccc2F)cc1 1169081917 APMHLTDNLIWDMI-HXUWFJFHSA-N 404.463 1.461 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCc2cccc(C(N)=O)c2)ccc1Br 1209035421 HENVVGRVRDCHSE-UHFFFAOYSA-N 408.277 1.941 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1213223347 PZRFQXGZKJEHTH-UHFFFAOYSA-N 424.338 1.513 30 10 HDEE COC[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CCOCC1 1230887332 YIKSXHIQDZAWFO-KRWDZBQOSA-N 403.483 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1286405307 CWSJJOWPNQSLLL-UHFFFAOYSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC=C)cc1 1286409298 JYROGDMYKVZXPB-IBGZPJMESA-N 424.526 1.866 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1286423952 PYSBTIOQSBCSMU-UHFFFAOYSA-N 414.391 1.958 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286551230 GXDPNQFQQSHGQV-UYAOXDASSA-N 402.543 1.312 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](CC)C1 1286784088 WCEKSJYSOPARKA-OAHLLOKOSA-N 407.482 1.459 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1 1286787024 APUCVKLFXBYJAL-DOTOQJQBSA-N 417.535 1.680 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(CO)CC1 1286817489 UJDINRBRYRXWJE-UHFFFAOYSA-N 408.499 1.894 30 10 HDEE Cc1nc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)sc1C 1289143633 AAEXRXWFQAWVMH-AWEZNQCLSA-N 401.496 1.365 30 10 HDEE C#CCOCCC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1290368637 GTNPNMARCGWKTP-OGYNKXMDSA-N 422.525 1.951 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)CCN2CCN(C)CC2)c1 1296573547 OYZLJSMYQLIQJX-UHFFFAOYSA-N 405.564 1.630 30 10 HDEE C[C@@H]1CN(c2cccc3cnccc23)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1297220149 BISJZNZYQCKQCD-CQSZACIVSA-N 404.430 1.106 30 10 HDEE CN(CCC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298639444 GCNWZAQBPYXGBZ-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1(C)C 1299321754 ITRIOTIJKQJAIS-UHFFFAOYSA-N 418.523 1.657 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1c[nH]c2ccc(I)cc2c1=O 1300300539 HORPSAYMGSDISB-NSHDSACASA-N 410.211 1.637 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1300314202 CJAPTJFWLMATOL-QZTJIDSGSA-N 407.522 1.695 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1300408510 AEWKXZXCIKAEOK-DOTOQJQBSA-N 416.551 1.841 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCC(O)CC1 1300465885 RRUJZYROXJXENU-FQEVSTJZSA-N 411.506 1.707 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cccc(OC)c1 1300578264 KDVZMXVXZSDQFF-LJQANCHMSA-N 421.501 1.684 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300630097 OEKQNHURPGFVKV-KRWDZBQOSA-N 402.524 1.005 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(OC)nc2)CC1 1300684302 ZQJJSXPAILQKQL-KRWDZBQOSA-N 414.510 1.209 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC2(O)CCC2)CC1 1300685867 TWCKHQVHSCYYKC-QFIPXVFZSA-N 417.554 1.379 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@@](C)=O)CC2)CC1 1300688517 HDFWJGWAJMCQES-GDLZYMKVSA-N 413.547 1.620 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1300689651 OGTOBJGNFWZTRW-YOEHRIQHSA-N 406.464 1.900 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)C#Cc2ccc3c(c2)OCO3)CCOCC1 1300898224 PHSLLLZZVRNBJW-UHFFFAOYSA-N 402.447 1.957 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1301502636 NGVPXUJBHQUHQC-UHFFFAOYSA-N 400.458 1.244 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCOC1 1303355585 PAXAXGARIJGJPM-QGZVFWFLSA-N 404.515 1.599 30 10 HDEE CCOC(=O)[C@@]1(C)CN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 1308017859 WOXLXJGZMIABQE-IIBYNOLFSA-N 403.479 1.984 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 1309485540 FKOXGNRXSAABME-IUODEOHRSA-N 403.501 1.392 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2scc(Br)c2Br)C1 1309924667 OCKWRZAEJMTAML-UHFFFAOYSA-N 401.101 1.642 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)Nc2cnn(C[C@H](O)CN(C)OC)c2)cc1 1310168085 KWKKGVWJXGGHMX-QGZVFWFLSA-N 402.455 1.297 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCC2(OCCO)CCOCC2)CC1 1313106742 AIWKCCQUQJVKCA-UHFFFAOYSA-N 402.495 1.384 30 10 HDEE CC(C)Oc1cc(Cl)ccc1CNC(=O)NCCn1cc(C#N)c(O)nc1=O 1313226987 YEAQLPNFVUWILJ-UHFFFAOYSA-N 405.842 1.761 30 10 HDEE CN(C)C(=O)Nc1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1326834909 FKPBMZJTMNDHTF-MSUUIHNZSA-N 400.439 1.106 30 10 HDEE C#CCCCC(=O)N(Cc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1O 1341915919 CNQSTXDLVXFRAW-ASPUVNIQSA-N 422.525 1.814 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1342261957 HPXNZSWGJRVUOT-MRXNPFEDSA-N 424.519 1.710 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)c1 1357976069 SJUVQWBBGKBIJZ-UHFFFAOYSA-N 410.377 1.517 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(C)=O)CC1 1358870215 IGKGGFLOOIVGDR-OAHLLOKOSA-N 402.543 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCNS(C)(=O)=O 1358896260 AHHDKGCBESPLNV-INIZCTEOSA-N 405.524 1.481 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1358992729 USHGJGYIGRCPPP-LJQANCHMSA-N 418.501 1.399 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1358997960 LICWHBCPRSDVBY-UHFFFAOYSA-N 418.501 1.964 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC(C)C 1359004618 CXOZFVRNOMWGBK-UHFFFAOYSA-N 405.524 1.741 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)[C@H](C)CC)CC1 1359039953 BYXNJYIWRRUFPK-WCIQWLHISA-N 419.570 1.818 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359055629 KLUYLAKSBNXNJS-UHFFFAOYSA-N 418.567 1.085 30 10 HDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359212370 JPKYCOTWUNNZON-UHFFFAOYSA-N 409.494 1.234 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1ccon1 1359296143 YMJCYIDUIHASHK-UHFFFAOYSA-N 412.450 1.889 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359299709 LOWCUQSQHYFHNQ-RDJZCZTQSA-N 416.526 1.317 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(CS(C)(=O)=O)CCC1 1436782172 LZWIEXGGWXOLSN-AWEZNQCLSA-N 401.529 1.905 30 10 HDEE CN1CCN(CCCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1441166876 ANFAVVYRYBDLBI-QGZVFWFLSA-N 417.941 1.708 30 10 HDEE CC(C)N(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1442581611 KKCJZGAVJPZMBG-OAGGEKHMSA-N 413.540 1.807 30 10 HDEE N#Cc1cn(CC(=O)N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(=O)nc1O 1442919609 GOPACVCBCDLRJV-ZDUSSCGKSA-N 424.392 1.416 30 10 HDEE C[C@H]1C(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(=O)N1C 1453745546 BLJCOPFYCSSAKR-MQGAHJBISA-N 405.455 1.087 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1456292969 PAHAXHVAYZEQCN-CQSZACIVSA-N 410.467 1.364 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N(C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1460274054 AMHVEZGZDPDBDK-INIZCTEOSA-N 414.531 1.947 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1461895984 DSJZAGSOFVBNFL-GFCCVEGCSA-N 416.297 1.240 30 10 HDEE CC(C)(O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1464663671 CWTORDGACXJAIO-OAHLLOKOSA-N 404.898 1.480 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464924249 KCHLJLCPPRSHQX-IDTYTIONSA-N 406.483 1.665 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CC1 1468716594 QMUJAOUZKUCIFG-FQEVSTJZSA-N 411.550 1.281 30 10 HDEE CC(C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn[nH]1 1468896900 PMVYGZLDUBUGSW-UHFFFAOYSA-N 404.496 1.455 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(C(=O)Nc3n[nH]cc3C#N)ccc2Cl)C[C@@H](C)O1 1469284932 APGWIDZKNFOLMA-PHIMTYICSA-N 423.882 1.985 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1 1469762727 QDYARMPWKINMBN-MSOLQXFVSA-N 411.462 1.584 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1O)C(=O)OC 1470336582 XXSSCWPXMYFOST-HOTGVXAUSA-N 404.463 1.899 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCc3cc(Br)ccc32)c(=O)nc1O 1471611437 UAZBJMMJSZVBCV-CQSZACIVSA-N 403.236 1.777 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1 1471930123 ZJBTXJOGRSNNNT-RNKNFESXSA-N 408.520 1.853 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1473587314 IRZKCXNLMZWZEB-KZNAEPCWSA-N 419.547 1.768 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1478674988 YLLXKTROTLNIJE-KGLIPLIRSA-N 400.526 1.201 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1478960502 ARPQTNJOPMHRKL-MRXNPFEDSA-N 405.524 1.754 30 10 HDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1503481970 ZDKZEKZGVQZTDD-UHFFFAOYSA-N 414.429 1.983 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC[C@@H]1C 1504521030 TZVGNOMBKPFCLG-YJBOKZPZSA-N 412.494 1.678 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504576801 SPLPLASSERITOO-DKKFBQAASA-N 418.542 1.461 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1504814315 WIOPGBCCGAIHFM-HRAATJIYSA-N 415.494 1.741 30 10 HDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1505039832 JVRYIEOCSBBGHE-KDURUIRLSA-N 413.478 1.821 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1507538820 PDNSZECIIOPMMJ-QAPCUYQASA-N 414.531 1.816 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1507605292 SAUCKLHMKPFNCT-NQIIRXRSSA-N 405.543 1.501 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCC(=O)N1 1507676594 OCIAZMDGWMAJCS-GOSISDBHSA-N 421.501 1.997 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H](C)N2CCOCC2)CC1 1507726487 BMLKHLVEHZYODN-OAQYLSRUSA-N 422.577 1.539 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1507772168 HZSZQOSCVVESKH-QFBILLFUSA-N 423.608 1.221 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507832243 VMJAMEHOBFHZIH-HNNXBMFYSA-N 419.507 1.312 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507929981 XCJKVMMIYCGMHX-INIZCTEOSA-N 409.556 1.884 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCCCO1 1508039401 NRSSORRHMOMQPY-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1517411991 GGTPCVHREDUSGS-JOCHJYFZSA-N 403.490 1.915 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1517609037 PROCTRUPZPIEBT-UHFFFAOYSA-N 420.521 1.540 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1518816934 IOXNOSJXNXMYCR-UHFFFAOYSA-N 405.466 1.676 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1519400362 AMPJYMJOIVSYDD-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE C#CCOc1cccc(OC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1 1521018883 CIVSHTQOBCCHHI-UHFFFAOYSA-N 422.480 1.736 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1532448802 LVRJMCSSCGHUSX-KFWWJZLASA-N 409.508 1.199 30 10 HDEE Cn1ncc(Br)c1CC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1536939812 WBCRCTYGKJJDDR-UHFFFAOYSA-N 403.284 1.777 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)cc2S1(=O)=O 1537849151 QBVDSEAOPBZHMB-CYBMUJFWSA-N 414.274 1.819 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1538750991 YWHCHEIJWVPZLG-MRXNPFEDSA-N 406.280 1.713 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1Cc2ccccc2C1=O 1538765628 LVOALMBNIVAVJY-RIFZZMRRSA-N 401.488 1.064 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1539029650 KSFWFZJWJAPSDR-OAHLLOKOSA-N 418.461 1.398 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539155611 YELHDPKHCMNZEJ-QAPCUYQASA-N 415.460 1.884 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(N(C)C)c2)CC1 1539444143 GVHBFWZVSYJCNR-UHFFFAOYSA-N 404.522 1.548 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1539612664 PIOGIJUJWWCQRU-IRXDYDNUSA-N 419.526 1.787 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1540857466 ZHIZKTPUTSMNPI-MRXNPFEDSA-N 400.458 1.890 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCOCC2)C1 1540881459 JSSGJQRIEKWBQS-ZWKOTPCHSA-N 418.542 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCc2oncc2C1 1540903660 FDDQDEIRWLDAND-UHFFFAOYSA-N 414.491 1.415 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CC2)CC1 1540907667 DOXOUWXHHQJQTM-UHFFFAOYSA-N 404.584 1.965 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)Cc1ccc(Br)cc1C#N 1541035691 DUHKCUGMWKDKEU-UHFFFAOYSA-N 402.314 1.651 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1541096659 XWYWHHPIQCHHGC-CYBMUJFWSA-N 403.512 1.534 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1541216808 SISGKSBNSOYFGU-HOTGVXAUSA-N 420.514 1.816 30 10 HDEE Cc1nnc(N2C[C@H](C)O[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543189418 XVTQHSIHKVVMGK-RFFWXEJNSA-N 414.388 1.269 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](COC)c1ccc(F)c(F)c1)c1cc[nH]n1 1546312737 INBISQUGRGXCDZ-HNNXBMFYSA-N 410.377 1.476 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(N(C)C)CCSC1 1555672778 XJZMBIYSLMKRCG-JTDSTZFVSA-N 424.571 1.168 30 10 HDEE C=CC[C@@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCCN1C(=O)OC(C)(C)C 1557162680 YQQXYYDMWFJNCO-IERDGZPVSA-N 408.543 1.911 30 10 HDEE C=C(C)C[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OCC 1558131335 OEXOHVBITKAKAX-HNNXBMFYSA-N 407.492 1.595 30 10 HDEE N#C[C@]12CN(C(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1558642754 CASQVMAPMDEEAV-SQWLQELKSA-N 402.394 1.006 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CC(=O)OC)CCCC2)s1 1558675418 CFNVYTQHWHYWJQ-UHFFFAOYSA-N 414.549 1.995 30 10 HDEE Cc1cn2nc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)cc2c(=O)[nH]1 1558973157 FTWGHBXNODZINJ-UHFFFAOYSA-N 417.223 1.128 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)CC1 1561939810 CKQGUEPCRYUYHK-UHFFFAOYSA-N 404.410 1.868 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1562329910 LPOQNCJSZSMHMO-GOSISDBHSA-N 403.527 1.345 30 10 HDEE CCCN1C[C@@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1566186366 DOEHZHWUCZSOMT-INIZCTEOSA-N 408.506 1.942 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1569857890 XVCCBAIHSDUYQE-HNNXBMFYSA-N 406.435 1.749 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(N)=O)cc2OC)ccc1F 1583724796 LGZMURBKAVRGRB-UHFFFAOYSA-N 407.423 1.650 30 10 HDEE C[C@@H](C(=O)Nc1cccc(C#N)c1Br)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1584220103 IFHRHUQPKYVASK-YPCYXAEESA-N 418.247 1.810 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(F)c(COC)c1)[C@H]1CCS(=O)(=O)C1 1588059612 QXTIDCGARMGDCD-KRWDZBQOSA-N 420.510 1.801 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@@H]1C 1588093347 KGSPEJHGQGCZBP-UZUQRXQVSA-N 416.485 1.948 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@H]1COCCO1 1588604399 JCPOJFSRQPXSNP-INIZCTEOSA-N 405.886 1.885 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1N(C)CCCC1(C)C 1588638805 XBMLGSOOXVLTOF-IRXDYDNUSA-N 402.543 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)C 1589581236 QRKNDEZFYSANGO-AEFFLSMTSA-N 405.543 1.852 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1593690439 LWXOLKFLPWSFGC-UWJYYQICSA-N 419.526 1.491 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(O)(c4ncnn4C)CC3)n[nH]2)c1C 1594069505 ZDYKOXLAKWXBQD-UHFFFAOYSA-N 410.482 1.328 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1594948111 BELVEFJCOCSEDA-ROUUACIJSA-N 404.559 1.988 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1595428275 LHUOKTQPLTXYLI-UHFFFAOYSA-N 415.586 1.581 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2Cc2ccnn2C)ccc1F 1607884293 UNIPIAGIKKWFRE-INIZCTEOSA-N 406.483 1.871 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1613343372 OMRZVOVSYDGNNR-XHSDSOJGSA-N 412.485 1.876 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)C[C@@H]1C 1615858953 HOZUTTCKJTYSQJ-INIZCTEOSA-N 416.551 1.782 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1616330964 NKHGBJIQXCGFBP-FUHWJXTLSA-N 408.587 1.979 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCOC)CC(=O)OC(C)(C)C)c1 1616861817 KTAJKKAHSMGUJA-UHFFFAOYSA-N 409.504 1.914 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2nc(C#N)cs2)c(OC)c1 1617871042 YHSGHATZNYHPCH-HNNXBMFYSA-N 400.460 1.953 30 10 HDEE CN(CCC#N)C(=O)CCN1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1618346044 ARHFOVMLJICISG-KRWDZBQOSA-N 419.530 1.702 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1619289559 HRSYVORRZAEQIX-CQSZACIVSA-N 413.482 1.457 30 10 HDEE COC[C@@H](F)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1619610606 VFYQFBWBJGSIJX-RDJZCZTQSA-N 416.457 1.861 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1619773257 GMWKOCWBVYXIDB-OAQYLSRUSA-N 409.494 1.974 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C 1622325243 PHTSNMSDCFNEND-AREMUKBSSA-N 415.537 1.512 30 10 HDEE CC[C@H](CO)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1623377046 JFFOHMUIDRYUGT-NYXBAERPSA-N 420.554 1.688 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 1624927342 YXRMNDUSLHMUIK-LQFHHUIYSA-N 420.495 1.114 30 10 HDEE COC(=O)[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624970474 WKJIEXAIUSSPHI-HZPDHXFCSA-N 403.435 1.043 30 10 HDEE COC(=O)C1CCN(CCCNC(=O)CCc2c(C)nn(CCC#N)c2C)CC1 1627173657 RMLMNKNDRBLEQP-UHFFFAOYSA-N 403.527 1.738 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)Cc2csc(N3CCOCC3)n2)c1OC 1628484643 IYVJMWDEQJMSGQ-OAHLLOKOSA-N 402.476 1.920 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H]1Cc1ccc(OC)cc1)c1cc[nH]n1 1629629426 QFCGIRLJHJQUBQ-HNNXBMFYSA-N 400.435 1.546 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1630987206 HPPCIUSQHMMUBJ-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE COc1ccccc1-c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(O)n1 1632880239 JRXVOCVGCWHXRT-UZYVYHOESA-N 408.414 1.719 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1633141362 XGOIYDPIMSOWPJ-UHFFFAOYSA-N 420.531 1.260 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)C2=O)cc1 1635700579 BBIWINHGMSNMIX-YKSBVNFPSA-N 416.481 1.623 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)CN(C(=O)OC(C)(C)C)C1 1636336888 SHMNZJPNFUNTIJ-XOBRGWDASA-N 420.510 1.779 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)C1 1639269939 LDQWYPBVBAPVCC-ZDUSSCGKSA-N 408.867 1.803 30 10 HDEE N#Cc1cc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)ccn1 1639865952 RRYNSLURCCQUOC-UHFFFAOYSA-N 403.420 1.494 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1641767481 UHGPJDBQMDTPMM-QZTJIDSGSA-N 401.463 1.092 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 1644059091 MOQMGHDJGQQCBT-CWVYHPPDSA-N 400.445 1.726 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC(CO)(CO)C2)c1 1645107656 WBGNOEKDDWHGMC-UHFFFAOYSA-N 411.483 1.716 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C2)CC1 1660133245 JCNGXLKNAHUTDS-QZTJIDSGSA-N 421.586 1.914 30 10 HDEE C=CCN(C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1)[C@H]1CCS(=O)(=O)C1 1670448040 MIPWSSIGNRCUCD-HOTGVXAUSA-N 420.491 1.728 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1672902732 MGOMIOUSXKLXSG-MSOLQXFVSA-N 411.499 1.965 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@@H](CO)Cc1cc(F)cc(Br)c1 1673202571 KRDCRZOJKFVRKS-HNNXBMFYSA-N 414.319 1.994 30 10 HDEE Cn1cc(CNC(=O)N2CCN([S@](C)(=N)=O)CC2)c(-c2ccc(C#N)cc2)n1 1686078829 MFTBIFHIRUVEMQ-NDEPHWFRSA-N 401.496 1.378 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1689846992 PVLPRMSNCYDTIQ-HNNXBMFYSA-N 404.540 1.859 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1689907631 FYXVIJHZHISKAS-IERDGZPVSA-N 403.527 1.994 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)(C)C)C1 1689930127 LBHIEPBIRIIORJ-SJORKVTESA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1689961260 QZEJPGAXGGSZOB-LJQANCHMSA-N 402.524 1.513 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCc1cnn(C)c1 1690015234 FMIUQOOQENUJCY-UHFFFAOYSA-N 405.462 1.445 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690081348 GTLDTKCCUFBRCW-QGZVFWFLSA-N 401.536 1.885 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1N(C)CCCC1(C)C 1690106040 ICRIKKSCAFRZEM-SFHVURJKSA-N 416.570 1.607 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690174542 DZFVEBNCYNVAAP-KZNAEPCWSA-N 405.568 1.305 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690230935 WBFYRHCYVTUQMF-CABCVRRESA-N 417.311 1.887 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690320590 XNESLKLYCZJABI-KRWDZBQOSA-N 407.515 1.235 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1Cc1cnnn1C 1690560020 NHVIIWVRLPFUCL-UHFFFAOYSA-N 414.477 1.920 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1690671547 YOXBYEVVYNBUTN-FIKGOQFSSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CNC(C)=O)C1 1690673590 YGJBQJLFFZDVCO-LJQANCHMSA-N 424.549 1.832 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692855150 VMCOMFQNNOTRDK-ZBMSZTRUSA-N 420.477 1.930 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@H]2CCCO2)C1 1698484866 WMPMWEVKFHRYGE-BEFAXECRSA-N 401.446 1.763 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C1CC1 1705490513 LNZXHPPPSLKISF-ZDUSSCGKSA-N 405.462 1.578 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705516050 SVIFBQDGZSLQDW-SFHVURJKSA-N 411.510 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCc1ccco1 1705550226 VPQFEFWTVPDAJE-UHFFFAOYSA-N 417.429 1.573 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705563264 UEKLMKJIJIYNGY-SFHVURJKSA-N 413.503 1.480 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc2c1OCCCO2 1705581336 YXSCTPKDKYDNHA-QGZVFWFLSA-N 405.458 1.512 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCC(=O)N(C)C)CC1 1705644696 ZIJNQYGCFCLAND-UHFFFAOYSA-N 402.543 1.410 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1705883527 LIVOOMKKLVEDSS-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1705884111 GSEWZNNNUYVDRV-QGZVFWFLSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1705906303 ZMGZQMHTTSXIAE-UHFFFAOYSA-N 404.478 1.559 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705925467 PQHDOBYIWHOXLN-SJLPKXTDSA-N 423.583 1.999 30 10 HDEE CC(C)(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1706152683 RCHDNRSRWPKICR-CALCHBBNSA-N 410.478 1.683 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1709445729 ZCVXOQSKHGSMQK-OALUTQOASA-N 404.446 1.999 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1710418023 VGYFNSVWSSJZTQ-QRWLVFNGSA-N 416.482 1.578 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(Cl)cn1 1711386214 CJMJVGURDGMEBT-UHFFFAOYSA-N 412.885 1.939 30 10 HDEE N#C[C@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCOCCCO)CCO1 1712886345 QIIDDCLFRKCLRN-SFHVURJKSA-N 410.478 1.409 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1722293846 TWCUJMYUDMDXMN-XJKSGUPXSA-N 419.489 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCO2 1722371016 QRSQAAHPECFFEV-UHFFFAOYSA-N 405.458 1.406 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC[C@H](C)C2)CC1 1722439855 RUSYPRUHFYUOBI-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCn2cccn2)CC1 1722445258 NNYWZAKPVVPQME-UHFFFAOYSA-N 420.521 1.536 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC)c1 1722466992 JYHNXTUSXKMJNG-RDTXWAMCSA-N 405.528 1.145 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1722537602 OYGMJWZZWPAYGI-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2COCCO2)C1 1722710472 JMHIUBUNGVJFIT-ZWOKBUDYSA-N 408.499 1.127 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1722729652 SJUIVAGKNZXYIC-UHFFFAOYSA-N 414.535 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(N)=O)C1 1722751194 QXYHWZWXSITGMU-CQSZACIVSA-N 407.496 1.149 30 10 HDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1725654668 IGBCOOGOKAAEGA-WBVHZDCISA-N 419.555 1.904 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1727870318 UMODNPHZTQTBAZ-PYTPGESOSA-N 410.478 1.646 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1729750534 LFSPMKBGBVXAHV-SFHVURJKSA-N 413.478 1.605 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729830813 QBZAYQLADNWLDQ-MGPUTAFESA-N 415.519 1.867 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740574542 LRKCPXXSUIBDET-HNAYVOBHSA-N 421.523 1.015 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740592296 UXVHHCANWREATA-KRWDZBQOSA-N 409.490 1.863 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1740638997 OXJFSAQRHVMKNY-WIYYLYMNSA-N 416.529 1.749 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1740650784 NOZPFMYEZYNQCR-QFIPXVFZSA-N 416.489 1.545 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1nnc2n1CCC2 1740686186 FPVAJFVLXZSLDL-UHFFFAOYSA-N 405.506 1.849 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740801026 MQSRPMAKUOFRDG-HOTGVXAUSA-N 410.950 1.716 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@@H]2C)CC1 1740833571 SWWAJIYAUWFKPP-ZOBUZTSGSA-N 411.572 1.963 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCC1)C1CC1 1740912758 QYBJJIRPLFDBHM-UHFFFAOYSA-N 400.527 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740956527 UPAAWDAPRBHAPK-MSOLQXFVSA-N 415.469 1.771 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1740959074 KAWVYPWDXALCHT-CQSZACIVSA-N 404.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)[C@H](C)C1 1740959490 XHCYBHXNCPILPB-QGZVFWFLSA-N 413.526 1.108 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1743361520 CJDSAFJDUCENHG-JKSUJKDBSA-N 411.510 1.238 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1745685915 BDXVSHDOSDYJLQ-ULQDDVLXSA-N 408.572 1.508 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1748765802 UXELFSFZJSSXHM-OKYOBFRVSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1748818275 YNMUORUTZXKJSK-ZWOKBUDYSA-N 422.551 1.195 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1748825828 GMFDHNXAGLXLDS-ZDUSSCGKSA-N 406.537 1.083 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1ncc(C)s1 1748847337 SFCGTVSKNKNXIZ-HOCLYGCPSA-N 417.560 1.822 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1748882821 HMRZAWYWXVELSS-MRXNPFEDSA-N 400.508 1.160 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)NC(C)C)CC1 1748984821 SGOSIZUOMCHEFG-UHFFFAOYSA-N 417.517 1.773 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1749135007 BAWYFGHKFJJMED-XLIONFOSSA-N 403.527 1.507 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H]2C)CC1 1749329884 UXBWCUMTPTZORK-CVEARBPZSA-N 410.588 1.775 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681805 JUKYDJADJTVHAK-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCN(C)CC1 1750260554 FXCWXNDHWKZYIA-KSSFIOAISA-N 421.546 1.499 30 10 HDEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1751711836 ZKWUMSAHAADHTF-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)n1 1751848487 JSJWRHHTPMYUFM-FQEVSTJZSA-N 401.515 1.669 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(CO)nn1 1760104199 UCZYKCRXNCGYHW-AWEZNQCLSA-N 410.438 1.485 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1760117685 SAFIALNGIWHSAK-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1760157687 YFOANNSBOQBHEL-UHFFFAOYSA-N 408.506 1.810 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1760188303 OIUFOFBJAOIEOR-KRWDZBQOSA-N 421.567 1.431 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCO2 1760217651 IUMWBOHOQXSJHZ-QGZVFWFLSA-N 405.458 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNC(C)=O 1760220248 YHOSSBAEXZEJOX-FQEVSTJZSA-N 407.474 1.780 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1760233309 KJWRLVKEXQBLHC-RDTXWAMCSA-N 408.549 1.609 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760295414 SKWAXFAZBMWYDH-FMZSFSCUSA-N 424.505 1.691 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760310512 IECHLJRSZQAVNJ-QGZVFWFLSA-N 423.315 1.168 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760530226 MBLFVZKWBRYNMN-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE CCc1nnc(N2CCN(C)c3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764909590 OFPBIQLSANYTAZ-QZQOTICOSA-N 421.505 1.823 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H](C)O1 1765237189 JPXYGNPGKJSEAU-QAPCUYQASA-N 407.482 1.897 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1766151298 AQKPZPVASHAPGS-WBVHZDCISA-N 423.587 1.503 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766489228 GOBSHZPXTNTQQH-MEUCICPISA-N 414.510 1.935 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O)[C@H]1CCOC1 1766959003 YRYDEXCIXVLUNA-KRWDZBQOSA-N 416.507 1.077 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@]1(C)CCCO1 1770044051 KXJMPYYXQLRTJT-BLIXFSHQSA-N 418.542 1.748 30 10 HDEE COCc1nocc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1770876509 ACBMBCVSSIECCV-IBGZPJMESA-N 414.445 1.764 30 10 HDEE N#CC(C(=O)N1CCOCC1)=c1nc(O)c(=Cc2ccc(-c3ccccc3)o2)s1 1772724671 RWAFDDIUPSFIQV-UHFFFAOYSA-N 407.451 1.471 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN1CCCC1 1850098166 BRJJTLLBQUQEEY-SFHVURJKSA-N 406.552 1.008 30 10 HDEE C=CCCC(=O)N(CCN1CCOCC1)c1ncc2c(Br)nn(C)c2n1 1850435050 GBUHYSOCIFVMKG-UHFFFAOYSA-N 423.315 1.757 30 10 HDEE Cc1ccn(-c2cc(N3CCN(C(=O)c4ccccc4OCC#N)CC3)ncn2)n1 1850985153 BQGLSSSFNNZPDQ-UHFFFAOYSA-N 403.446 1.836 30 10 HDEE C[C@@H](C#Cc1ncc(C(F)(F)F)cc1Cl)OC(=O)C1CN(S(C)(=O)=O)C1 1851403437 XBDRMNRQWVJFOS-VIFPVBQESA-N 410.801 1.928 30 10 HDEE N#Cc1c[nH]cnc1=NC(=O)C1CCN(Cc2cnnn2-c2ccccc2F)CC1 1852110537 UWEQDTMMHQIFBL-UHFFFAOYSA-N 406.425 1.341 30 10 HDEE Cc1[nH]c(C(=O)N(C)CC(=O)N2CCN(C)CC2)c(C#N)c1C(=O)c1ccccc1 1852447945 YVLUNSKEHUYTMT-UHFFFAOYSA-N 407.474 1.272 30 10 HDEE Cc1cc(C)c2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)c2c1 1854815029 RRWVJZBICMBGPW-OAHLLOKOSA-N 414.487 1.686 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)nn1 1854825030 SUCXWEJAUXLPTQ-SFHVURJKSA-N 407.478 1.483 30 10 HDEE Cc1cc(N2CCN([C@H]3CCN(C(=O)c4ccc(C)c(C#N)c4)C3=O)CC2)ncn1 1855397141 UCGUQDVPCURQSE-IBGZPJMESA-N 404.474 1.528 30 10 HDEE Cc1c(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)nnn1-c1ccccc1F 1855888341 ONSMTEXUBMLYQJ-MRXNPFEDSA-N 410.453 1.939 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)CC1 1856362452 IXOPONCERICBRE-UHFFFAOYSA-N 414.462 1.086 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3cncc(Cl)c3)C2)C1 1856386618 QJPFGGWVANIEFR-ZDUSSCGKSA-N 411.849 1.754 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)C1=O 1856542216 FTINSJUBFOMXPH-OAHLLOKOSA-N 401.467 1.845 30 10 HDEE N#CCCN1CCN(C(=O)Cn2cnc3ccccc3c2=O)C(=O)C12CCCCC2 1856637568 QKICNJMFWFYXEF-UHFFFAOYSA-N 407.474 1.684 30 10 HDEE C[C@@H](C(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@@H]1CCOC1 1856907155 WRASBJBNSMFTSL-GDBMZVCRSA-N 419.503 1.699 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cnc4ccccn4c3=O)C2)CC1 1856947298 CBDGCDHWZRYKME-KRWDZBQOSA-N 407.474 1.699 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857098587 LSVIAZCIXUXWDM-NSHDSACASA-N 420.397 1.293 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3ccc(-n4cccn4)nn3)C1)CC2 1857229777 DIJRSFZBXIYTIN-HOTGVXAUSA-N 405.462 1.277 30 10 HDEE CC(C)n1cc(CN(C)[C@@H]2CCN(C[C@@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487565 AJFXPVKOTXHYDN-PKOBYXMFSA-N 400.527 1.649 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1C#N 1866023495 WMXANQOMHRDHQL-LJQANCHMSA-N 424.420 1.615 30 10 HDEE C=CCOc1cn(C[C@@H](O)c2ccc(Cl)cc2)c(CN(CCO)CCO)cc1=O 1870386715 ANWDUEVEJCQBCU-HXUWFJFHSA-N 422.909 1.587 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCC(C)C)nc1C 1872706647 IINXJRCUSFEILD-UHFFFAOYSA-N 423.451 1.581 30 10 HDEE CCc1nc(C2=C(N)N(C[C@@H]3COc4ccccc4O3)CC2=O)sc1C(=O)OC 1872725719 WOIOOCKKURZHPG-LLVKDONJSA-N 415.471 1.844 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)Nc1ccc(C#N)cc1 1873867447 QIZBWFRNNOWTHJ-ZFWWWQNUSA-N 420.425 1.783 30 10 HDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1880979483 DKWJRXMBNZJDCC-AWEZNQCLSA-N 400.391 1.740 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cncc4cccnc34)CC2)CC1 1889471017 KIEDCGNMCVYHSU-UHFFFAOYSA-N 407.518 1.502 30 10 HDEE Cc1ccc(F)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889550392 YTUMKJMUYDESDL-UHFFFAOYSA-N 423.554 1.555 30 10 HDEE C#CC[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1)C(=O)O 1984835939 ORPAIOZXAVVBOO-HTAPYJJXSA-N 415.490 1.749 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)nc1)C(=O)OC(C)(C)C 2118171489 VOUMATXCHPCFIB-VWLOTQADSA-N 402.498 1.607 30 10 HDEE CN(C1COC1)C1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2173111565 KWSHAIPVHKYWHD-UHFFFAOYSA-N 424.148 1.663 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C[S@](C)(=O)=NS(=O)(=O)N1CC(C#N)C1)C(C)(C)C 2174781068 BNHJMVWYROKJQN-NRRJATNASA-N 422.573 1.724 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@]1(F)CN(S(=O)(=O)N1CC[C@H](C#N)C1)C2 2198269161 CWFRNZXEINNQSH-COXVUDFISA-N 402.492 1.548 30 10 HDEE CC1(C)OB(c2csnc2CN2CCC(CS(C)(=O)=O)CC2)OC1(C)C 2235504650 IZPKZYFQPJTXQH-UHFFFAOYSA-N 400.375 1.699 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243386094 UQGZXWZXAHUGMZ-UHFFFAOYSA-N 410.280 1.237 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243389096 GKZHJCDKGBJIRS-UHFFFAOYSA-N 419.234 1.193 30 10 HDEE C[C@H]1OCCN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243675658 ZFXIDUUGUQCLOE-HUUCEWRRSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2243679467 YJKBDKQUTCUSFE-LSDHHAIUSA-N 410.320 1.908 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247828296 NEFCEAYLSFYCTQ-OPAMFIHVSA-N 408.311 1.713 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248433907 SASKSSOJOSLCGP-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267468571 LLBBLRLHFXUHIN-APXPCNQMSA-N 407.388 1.483 30 10 HDEE Cn1ncc(NS(=O)(=O)c2cc(F)cc(C#N)c2)c1I 2280044038 JLWVGTDKKKADFU-UHFFFAOYSA-N 406.180 1.836 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312068 QMIQOJSQZVKNOZ-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282346053 SUPQZJAFIFERNA-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE C[C@H]1[C@@H](O)C[C@@H](C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282348472 LTKPCIDJXVMCDI-AGIUHOORSA-N 401.359 1.827 30 10 HDEE C[C@H]1CNC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282501261 VENKVOGYHJIRPG-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE CO[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282502563 MXRCDTFZZDNFNZ-VXGBXAGGSA-N 402.347 1.429 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCS1(=O)=O 2282617274 FMMPYSJRJIJRQY-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282660968 HEPCQINBBNWIGC-AWEZNQCLSA-N 403.284 1.829 30 10 HDEE C[C@H](CCO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282827636 BESQLFAGJQNANG-GFCCVEGCSA-N 403.737 1.936 30 10 HDEE C[C@H]1CC[C@H](O)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836371 IXBNAQCXLGLFOL-RYUDHWBXSA-N 402.347 1.117 30 10 HDEE CO[C@@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837631 FTZOUEUHTGXYIZ-QWHCGFSZSA-N 402.347 1.381 30 10 HDEE C[C@@H]1NCCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842657 AZAXUFUBOKMGLG-JSGCOSHPSA-N 400.375 1.607 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(F)(CO)CC3)s2)OC1(C)C 2282858736 BPQMENGWBKFMJQ-UHFFFAOYSA-N 405.322 1.532 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288894554 JJGOMBFOEZZEKC-UONOGXRCSA-N 401.359 1.722 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2339653098 GAXJSTNAATWHAL-OLZOCXBDSA-N 402.538 1.766 30 10 HDEE CC[C@@H]1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365195994 HTMZECOGOLQLJT-SPYBWZPUSA-N 402.557 1.681 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365212370 PYLYCRHBWDPMPE-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245599 ZMWBNMYHJHXJCE-ZIAGYGMSSA-N 405.513 1.834 30 10 HDEE CN[C@H](C#Cc1cnn(CCOC)c1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2366099849 NAQPRIAYOUMPNT-KCZVDYSFSA-N 412.490 1.289 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367787306 KOIABDUQQTWWLR-UONOGXRCSA-N 403.497 1.588 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367816968 QPNNJUJDLPZJLE-OWCLPIDISA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2367825235 OWRBVMILNZMFDZ-KUHUBIRLSA-N 400.541 1.306 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 2367826234 WSIONHSWSWMABI-IIDMSEBBSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CO2 2368885133 KDVMQRDJWSDPSZ-LPRCSBTHSA-N 400.541 1.460 30 10 HDEE CCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 5979374 MYDYNJBBSVPMBV-GDNBJRDFSA-N 417.560 1.538 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(c3ncccn3)CC2)nnc1-c1ccco1 29550110 LNLIZIMHXYNELC-UHFFFAOYSA-N 411.491 1.955 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](c1ccco1)N1CCOCC1 38630612 MTPXHURDNVHAMZ-INIZCTEOSA-N 402.838 1.933 30 10 HDEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 96353188 NFVOADAFTWXMPR-UHFFFAOYSA-N 413.455 1.317 30 10 HDEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 97366120 NVCNRKTXEFKBHO-LJQANCHMSA-N 420.452 1.520 30 10 HDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccncc1 103128532 WMDCPZPPEKGZNW-HQMFNGAOSA-N 409.442 1.836 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 111001493 UPYZPKQWVIRDDR-CQSZACIVSA-N 423.454 1.860 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCCN(c3ccc(Cl)c(Cl)c3)CC2)CCO1 409516054 WIHVHLBWBPTKMT-AWEZNQCLSA-N 419.334 1.975 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)C1 410161242 JAJZPZKNEZPQEN-KBPBESRZSA-N 412.478 1.836 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 434041584 LKXVEVQGFXOASZ-DZGCQCFKSA-N 406.426 1.926 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCc2ccccn2)cc1 435837524 VNEBXLKBDQXTOX-UHFFFAOYSA-N 416.503 1.576 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 436910356 NLASTYLYSQONHJ-NRFANRHFSA-N 401.463 1.938 30 10 HDEE N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 439321260 FTNMQBCGDXVFBM-KRWDZBQOSA-N 419.503 1.730 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1CC 447282925 MKPZUSJDSXJOIU-SNVBAGLBSA-N 423.336 1.544 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460801666 IRQDZNQZXCYATG-RHSMWYFYSA-N 421.523 1.748 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 474761995 GHZTWPIRKFTAIP-GOSISDBHSA-N 410.478 1.047 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H](CO)c2cccc(Br)c2)cc1 483136511 QGKSWXPPHXUNLC-MRXNPFEDSA-N 402.248 1.900 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 488649841 XUGABAIQZNVEAV-HNNXBMFYSA-N 407.492 1.601 30 10 HDEE N#C[C@@H](NC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 499423678 SOCFEQYRADREDY-OAHLLOKOSA-N 423.292 1.894 30 10 HDEE CC(C)N1CCN(CCCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 501112965 RZMRYEMHYYCWJT-UHFFFAOYSA-N 419.595 1.281 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 503624275 BKCHGVUTWUNXBN-UHFFFAOYSA-N 419.438 1.153 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)Cc1cnc(N(C)C)nc1 506047487 LYOGJOCMENTJRN-UHFFFAOYSA-N 413.526 1.940 30 10 HDEE C=CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)OC)CC1 508738947 IBIBAYQGPONQQP-UHFFFAOYSA-N 405.886 1.992 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(CC)s2)CC1 508937979 FLVUMTXEGONMHX-AWEZNQCLSA-N 422.580 1.712 30 10 HDEE Cc1ccc(N(C)C2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)nn1 538058561 CZBMGYKXNOLVNW-UHFFFAOYSA-N 410.482 1.500 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 555242213 GWRSDTUGDDKSFD-OLZOCXBDSA-N 403.405 1.447 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc(Cn3cccn3)on2)cc1 555659210 DWJBFLJCHHGEII-QGZVFWFLSA-N 408.443 1.945 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cn(Cc2ccccc2)nn1 558781380 QKEZIEKPFJXCTQ-OAHLLOKOSA-N 403.450 1.731 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 561513752 IFQONTDBCPNNGW-HOTGVXAUSA-N 408.499 1.406 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 567317197 GBGSPTKHBFVPQJ-INIZCTEOSA-N 414.487 1.240 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCc3ccc(S(=O)(=O)CCO)cc3)CC2)c1 580424556 OJPWTEPEALKGPI-UHFFFAOYSA-N 402.447 1.811 30 10 HDEE COc1ccc(CCNC(=O)C(/C=C2/C(=O)ONN2C)=NC(=O)c2ccccc2)cc1 585673832 VKWSZEKEAHZULF-JURPEEDWSA-N 422.441 1.427 30 10 HDEE O=C(NC1CCC(OS(=O)(=O)c2ccc3nc(O)oc3c2)CC1)[C@@H]1CCCO1 586506614 LPXDHVFLUAGUBC-QOZQQMKHSA-N 410.448 1.845 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2csc(N3CCCC3)n2)cc1 589420971 DAXPZWGPWHIVTP-UHFFFAOYSA-N 419.532 1.252 30 10 HDEE C[C@@H]1CN(C(C)(C)CNC(=O)N2CCN(c3ncccc3C#N)CC2)C[C@@H](C)O1 590943621 KCSUWXJRQPLILR-IAGOWNOFSA-N 400.527 1.673 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)cc2C1=O 601492218 NQLYZRXTXUYUQK-HNNXBMFYSA-N 418.453 1.576 30 10 HDEE COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)NC[C@@H]3CCCO3)S2)cc1OC 606348092 KWOVBEPHQZEPFK-BBRMVZONSA-N 420.491 1.311 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)cc2C1=O 608227974 JFUZRMKSGLTRSM-SJCJKPOMSA-N 407.430 1.126 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)c(F)c1 614839333 ZSSAFWJGMQQYMM-UHFFFAOYSA-N 409.464 1.617 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 669807419 HMXXGRHORGNSPX-CQSZACIVSA-N 414.514 1.746 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 685843513 FUHHEEJYGJHZIN-QZBQPBHFSA-N 406.482 1.519 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)CC1 726297127 RCHSCPZMJZKIQX-UHFFFAOYSA-N 419.485 1.682 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCN1C1CC1 732675580 ZUDBKBFVHVJJJW-JOCHJYFZSA-N 410.566 1.576 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)CCN1C1CC1 732707280 YZNYMKJQVWVCFF-ROUUACIJSA-N 412.490 1.772 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 732893351 CWSPDLQLXUJNIZ-CYBMUJFWSA-N 407.268 1.595 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@H](O)C(F)(F)F 736214014 AHPQIXWEMLMNPM-GXTWGEPZSA-N 421.441 1.569 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCN(c4cnn(C)c4)C3=O)cc2C1=O 741827405 WSDIVTMPTICHSL-QGZVFWFLSA-N 408.414 1.555 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2ccc(OC)c(C#N)c2)cc1 747447158 WDTAHZVPCWLDET-UHFFFAOYSA-N 409.442 1.971 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 752341341 XMGGJCPIEKGOEX-ZDUSSCGKSA-N 419.484 1.877 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 756545886 WXHZGRQLQVQYIY-ZHRRBRCNSA-N 413.474 1.411 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2occc2Br)c1=O 758068939 VHHVAUHFXOTALX-UHFFFAOYSA-N 417.284 1.771 30 10 HDEE COC(=O)c1cn(C2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)nn1 758962521 LJEYENSTKZWBIJ-UHFFFAOYSA-N 406.450 1.798 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3nccn4c(Br)cnc34)CC2)n1 760773921 BFKVBAJDSMPVKF-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE N#Cc1cccc([C@@H]2CN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CCO2)c1 761757615 ADLVFBWUUGJVBZ-IBGZPJMESA-N 424.526 1.978 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C)cc1 771082134 XVAQRRZXPHNPSI-WBVHZDCISA-N 405.476 1.354 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)c3cc(F)cc(F)c3)n(C)c2=O)cn1 772274226 CISSMGUDHFPLRV-UHFFFAOYSA-N 414.437 1.717 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 774195691 RQSXMMASSBCDOX-YJBOKZPZSA-N 403.504 1.706 30 10 HDEE C#CCN(C(=O)NCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1 774240632 LYVFYVLOJMBYBK-CYBMUJFWSA-N 405.398 1.311 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NC(=O)c2ccc(OC(F)F)cc2)cc1 780205511 LQLYHXBRJWZIKT-INIZCTEOSA-N 404.325 1.693 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)n1 788370368 SMCFTVPVDVSRPZ-IAGOWNOFSA-N 401.511 1.669 30 10 HDEE C[C@H](CC(=O)OCC(=O)[C@H]1Cc2ccccc21)/N=C1/NS(=O)(=O)c2ccccc21 795528768 DJJRURJCMGYORL-DYVFJYSZSA-N 412.467 1.956 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(Cc2ccccc2)Cc2ccccc2)CC1 798952360 CMNHCEIMSJFPJF-UHFFFAOYSA-N 403.526 1.982 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC1 802759610 OLRMUBUWGKSYCV-JFIYKMOQSA-N 404.515 1.215 30 10 HDEE CCOC(=O)c1cnc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1C 807377059 BHSQLPOXRSUXTQ-NSHDSACASA-N 419.463 1.053 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(C[C@@H]2CCCS(=O)(=O)C2)C1=O 807929577 KWNFUZXKXLDSGU-HOCLYGCPSA-N 423.560 1.887 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 811430010 MTMGQTJCVPTDLH-AWEZNQCLSA-N 405.386 1.555 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)c3cnn([C@@H]4CCOC4)c3)CC2)c1 816464448 FJZCSEVYIMMPPU-OAHLLOKOSA-N 404.423 1.392 30 10 HDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856532451 JHTCIMHNJRVCGR-JKSUJKDBSA-N 404.879 1.751 30 10 HDEE CCNC(=S)NN=C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 1083939194 GKRJPYZHPCRBCD-UHFFFAOYSA-N 421.482 1.518 30 10 HDEE N#Cc1cc(NC(=O)c2cc(N3CCOCC3)ncn2)ccc1N1CCC(O)CC1 1137497228 CSCYTMBHTSQUFA-UHFFFAOYSA-N 408.462 1.398 30 10 HDEE Cc1onc(CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1C#N 1140660798 FZXGSAFJTXSXHH-CJNGLKHVSA-N 414.384 1.472 30 10 HDEE CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)CCn1cc(C#N)c(O)nc1=O 1141820769 BORXJDKVFVRXJU-UHFFFAOYSA-N 424.436 1.831 30 10 HDEE CN1CCCC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1146299604 UZOGIDNNHPCRAX-SFHVURJKSA-N 406.490 1.855 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1F 1148085909 RMENBMMTVXSHRA-SDGVZRARSA-N 410.446 1.367 30 10 HDEE Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392884 MIEPUAHEDVBJFB-JTQLQIEISA-N 411.340 1.284 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1152566570 YBXMQLRAUIJMDL-MJGOQNOKSA-N 414.506 1.807 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)s1 1155706902 LYEDBSRGPDQSEB-QWQRMKEZSA-N 414.549 1.598 30 10 HDEE C#CCN(C(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C1CCN(C)CC1 1156646365 FMIVPRBJQSMHPW-CQSZACIVSA-N 412.943 1.348 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(F)(F)F 1158274351 BGDOVDXJGAVBPL-AAEUAGOBSA-N 407.414 1.323 30 10 HDEE CC1(N2CCCC2)CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1161832991 WKHMJHFZWBLRBG-UHFFFAOYSA-N 404.536 1.750 30 10 HDEE CC[C@@H]1CCCCN1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166615557 WRQIJKHDRDXWEF-OAHLLOKOSA-N 404.467 1.014 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1CCN(C)C2=O 1167096588 DRKDBWIPOLQPNR-ZDUSSCGKSA-N 412.471 1.492 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1 1177758519 BXRRLCYOSVBQNP-FUHWJXTLSA-N 408.543 1.256 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(OCc4cccnc4)c3)C2)c(=O)nc1O 1180990647 YJKXRGGEUFWNHJ-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 1195042962 RLQZEAYMLSWEFJ-UHFFFAOYSA-N 402.270 1.733 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2)o1 1198218149 CYBLYPUGZPWQOS-HXUWFJFHSA-N 420.473 1.448 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1208053941 LNZZAIQVJVJESP-UHFFFAOYSA-N 414.325 1.856 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])n1 1211731618 SYIPXDANJCPATC-UHFFFAOYSA-N 410.427 1.709 30 10 HDEE COc1ccc([C@@H](OC)[C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1230919347 WTRLYUYGCQEPSN-SJCJKPOMSA-N 413.434 1.172 30 10 HDEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2cnccc2C#N)CC1 1255202122 GCRHBKJBLFFWCM-UHFFFAOYSA-N 413.503 1.431 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286270098 IOZILYSXIUCSJX-OAHLLOKOSA-N 406.490 1.306 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1286272876 CHHDRZUYFQIMQR-LQWHRVPQSA-N 405.543 1.356 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286299079 ATAOGGISDNZECT-WBVHZDCISA-N 422.455 1.985 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286395894 OSVNXVVLAQNCGO-JKSUJKDBSA-N 419.551 1.073 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 1286469541 IXUMHRUVGUFSCQ-GOSISDBHSA-N 404.559 1.242 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(O)CCC2)n1 1286472465 YCCYACAUANCJTE-UHFFFAOYSA-N 424.509 1.076 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)COC)CC1 1286474097 AFCZDMNYLGZJRC-QGZVFWFLSA-N 413.522 2.000 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1286480648 OOBHRCCHKDUIPZ-IBGZPJMESA-N 408.506 1.544 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(F)c2)CC1 1286489833 COTLVUXVNXQRLF-SFHVURJKSA-N 424.480 1.382 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286546043 FNSBTIDQHPPDSQ-GGPKGHCWSA-N 418.586 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286818980 VLQMXBVWHOMZRH-CABCVRRESA-N 406.512 1.340 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)COCCO1 1290859316 ORBSVXJWQJKKDV-HXUWFJFHSA-N 400.458 1.729 30 10 HDEE C[C@@H](CC(=O)NCC1(Br)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1299010823 KVGAKXGQUMRFIR-JTQLQIEISA-N 400.298 1.547 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300412836 INMITVQMDXVELF-UHFFFAOYSA-N 416.551 1.538 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1300495083 CMDGLTWPRNPJBA-ROUUACIJSA-N 404.536 1.908 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1300622447 ZFCOMDCPXWWDRB-QGZVFWFLSA-N 415.519 1.282 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(N(C)C)CCC2)CC1 1300681757 BCKXKJGWJFMANO-UHFFFAOYSA-N 422.537 1.165 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(CC(C)C)c2C)CC1 1300699440 CSIGJMOPOCIOLS-IBGZPJMESA-N 411.554 1.746 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCN1CCOC[C@@H]1C 1300787215 KAXJATQRWRZQOI-BBTUJRGHSA-N 405.543 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301491979 UBHUFCINVKGPMU-DLBZAZTESA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(OC)C1 1301520766 OKWBXLWWJGUQGM-RIFZZMRRSA-N 407.515 1.310 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1301566732 PWOBJWHWBZDVER-YLJYHZDGSA-N 424.567 1.342 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1302948383 SEVUSBRPHIJPMU-QFIPXVFZSA-N 422.537 1.548 30 10 HDEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1303248454 YBQUCZSALCNGGM-CJNGLKHVSA-N 418.564 1.719 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)c1ccccc1 1303323746 AGGFRMUSZXSREF-OAHLLOKOSA-N 418.523 1.629 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1303635585 BDOPLIZMHRRPGI-OAHLLOKOSA-N 402.524 1.827 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1305248504 DDPLHPBHKRJSGU-MDOVXXIYSA-N 417.441 1.265 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1)c1ccccc1 1309619482 VOZMZNQITYAGEW-JXFKEZNVSA-N 413.455 1.403 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@H](O)CS(C)(=O)=O 1310863333 JBVYYNASAXRXJX-LLVKDONJSA-N 407.286 1.541 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@]4(CCCOC4)C3)C2=O)cc1 1326990864 AYRKSTLWUWODCM-DYESRHJHSA-N 412.446 1.171 30 10 HDEE CC1(C)CS/C(=N\Cc2ccccc2)N1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1347705980 PJNDEIMMERPEEC-UXPDKRSESA-N 414.491 1.910 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCCOC1 1357975844 RESQJEHKBVUSJL-KRWDZBQOSA-N 417.409 1.257 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1358881285 CAQRNZYTBMKXHT-AYAKEVCGSA-N 415.457 1.801 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC1CCN(CCN(C)C)CC1 1358975450 RCJBLHRRMNUCAS-UHFFFAOYSA-N 407.566 1.630 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC1CC1 1359005768 VEMBEYDKLKMJLX-UHFFFAOYSA-N 416.503 1.958 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N(C)C2CC2)CC1 1359043913 NQXAPTFGJRGYEK-MRXNPFEDSA-N 409.538 1.722 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359056962 OTSFAIHPCOOJFP-WMZOPIPTSA-N 416.551 1.850 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359101661 QRKDMIRSVYAGTE-MDKPJZGXSA-N 410.522 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359332778 HACDDTCTCLQDOT-LPHOPBHVSA-N 412.556 1.462 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)C1 1360843020 AVHUPPLIWJTQLT-FCHUYYIVSA-N 424.505 2.000 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CCS(=O)(=O)C1 1440685779 SRBZDCHDTSALGE-YYHKSVKZSA-N 411.524 1.419 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 1443049796 JCYPAMZRDOLBTQ-INIZCTEOSA-N 417.514 1.376 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)CC[S@@](C)=O 1444852859 GENONIPIDVLZPK-BWDNZLRPSA-N 413.565 1.413 30 10 HDEE CS(=O)(=O)CC[C@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C#N)CO 1449519819 MBBGRZMAODYOMV-OCCSQVGLSA-N 403.298 1.043 30 10 HDEE CC(C)n1cnnc1CN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1450507318 AVMUESLSRILXTC-MRXNPFEDSA-N 409.450 1.594 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CC[C@](O)(CC#N)C1 1452248577 PDBJALXUOKFUML-HSZRJFAPSA-N 419.437 1.982 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 1455173382 BGFCGJNYVJWNSL-SJORKVTESA-N 404.463 1.514 30 10 HDEE N#Cc1ccc(CSCC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1 1455200008 BQYWFSWVNCYFBL-FQEVSTJZSA-N 402.564 1.704 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)C1 1457261134 FMKKPTNJSCASTD-WFASDCNBSA-N 408.296 1.206 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NC[C@H]3CCCN(CC#N)C3)=NO2)C1 1457669726 JVNUKDFPFRFSKZ-FOIQADDNSA-N 405.499 1.494 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(OCC(N)=O)c2)s1 1463685717 UTVLUCFFCGXIFL-UHFFFAOYSA-N 409.489 1.258 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1465587911 MMPBGHXJBXEXMJ-UONOGXRCSA-N 414.384 1.672 30 10 HDEE C#C[C@H](NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCOCC1 1468717289 UTRODIAFCFULOR-SFTDATJTSA-N 412.534 1.612 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@@](C)(C#N)C1)n2C 1470396280 XOLGKGKQDIHZKA-IBGZPJMESA-N 403.508 1.518 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NCC)cc1 1478152046 KKCIITVQJDUQCQ-UHFFFAOYSA-N 409.508 1.471 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NC[C@]34COCCN3C(=O)OC4)CC2)cc1 1479150386 UGQOWKQSENIAMD-HXUWFJFHSA-N 400.435 1.332 30 10 HDEE C[C@H]1COCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1494579580 LPTBDXZDCBQEPN-DNTCVELPSA-N 423.477 1.015 30 10 HDEE COCCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1504812861 IQHUDVQUMDGZDI-NCJSADBTSA-N 418.498 1.519 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)c2ccccc2)CCO1 1505323282 FCUBZWPJFVXPDR-NVXWUHKLSA-N 417.491 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1507533553 LLZCMMXYNRYUGS-QXAKKESOSA-N 416.570 1.824 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1nccc(C(F)F)n1 1507657192 OMXYYVLPOKOZCT-UHFFFAOYSA-N 410.432 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nccs1 1507703620 DBFOZCKGWVOXRJ-LJQANCHMSA-N 405.524 1.910 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCC)CC1 1507718143 CCIZSBWPYBFGOM-YADHBBJMSA-N 419.570 1.625 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1CCNS(=O)(=O)Cc1ccon1 1507762627 XKYDPIOUECHGKX-GOSISDBHSA-N 406.512 1.501 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1507774129 UEMSDZPGNIRIDP-FDDCHVKYSA-N 422.533 1.751 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)CC)CC1 1507881201 PVDYKBOTPUFRMZ-LJQANCHMSA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(c2ncccc2F)CC1 1508077591 ZEFFGLXSJVLTTB-UHFFFAOYSA-N 401.490 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCSC[C@H]1C 1508144336 UJYBBONYHSAFKH-MRXNPFEDSA-N 424.596 1.682 30 10 HDEE CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C(C)C 1515418213 BDHIEKMUOHMMHJ-QFPXGYFVSA-N 402.499 1.933 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](Cc3ccccc3)C(N)=O)CC2=O)cc1Cl 1526828673 DKOLUNMRQIQFJA-CRAIPNDOSA-N 410.861 1.777 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)CC(=O)N2 1535152035 MLJRCVDWTYNJQC-UHFFFAOYSA-N 407.386 1.902 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1539215791 JGUNXPJVSYWLIG-OAHLLOKOSA-N 414.491 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccco1 1539232404 BIXQBWCGWCKKKW-NRFANRHFSA-N 404.430 1.499 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c(c1)CCO2 1539412748 DDBBIJZOGZFTEM-GOSISDBHSA-N 409.490 1.493 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CCS(C)(=O)=O 1539417569 MHRCPOQDAUBQPM-UHFFFAOYSA-N 412.462 1.278 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539444232 KGBBHJIXQJUSFV-UHFFFAOYSA-N 409.538 1.677 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCNc2ccccn2)CC1 1539446965 MHXZVJCOWGJHAW-IBGZPJMESA-N 409.538 1.825 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@](C)(O)C2CC2)CC1 1539453832 SMCDTFCFJZKLQO-HSZRJFAPSA-N 409.534 1.794 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCC(C)(C)COC)CC1 1539459355 FQFRJVQDAMQSPL-UHFFFAOYSA-N 416.570 1.609 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1539633588 ZNWWWYOBMBULNL-BZSNNMDCSA-N 403.527 1.855 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1539953264 PVNZZZXAZYAUSO-LSDHHAIUSA-N 412.560 1.207 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1540063835 FADBYNJAGQMKOD-RDJZCZTQSA-N 417.539 1.562 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 1540864127 PYQOGWKMGVRHBU-UHFFFAOYSA-N 416.913 1.895 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1540916177 SRPINJSEEQCJMI-UHFFFAOYSA-N 420.583 1.056 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1542250216 UEONCKXIAFMVOR-ZWKOTPCHSA-N 410.478 1.597 30 10 HDEE CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1543691212 DTWDMEDXDAUBPX-GOEBONIOSA-N 402.882 1.939 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1547311840 JFDOGFLPCKJFLS-UFRUDQCGSA-N 408.506 1.892 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CC=CCC2)CCOC1 1547894000 OXXHHCRZHLKAHC-UXHICEINSA-N 404.490 1.634 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nc(C)c(C)s1 1555671312 ZMWWZTNATVNPLI-UKRRQHHQSA-N 406.512 1.853 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cc(Br)cc(Br)c2N)n1 1556514904 CWUFZWKZHQBMGN-UHFFFAOYSA-N 414.061 1.687 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](COC(=N)O)Cc2ccccc2)c1 1557031037 VIKNXVJHOYYSCU-KRWDZBQOSA-N 415.471 1.449 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)c3cccnc3)CC2)cc1 1557085293 HYQGANGUXWYURQ-LJQANCHMSA-N 414.487 1.204 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1558643815 IOQDAQRFNHFZSE-XTDOFWJNSA-N 411.524 1.467 30 10 HDEE C[C@@H](C(=O)N[C@H](CO)c1ccccc1I)n1cnc(C#N)n1 1558739173 CINNEHNVOFWJPN-JOYOIKCWSA-N 411.203 1.165 30 10 HDEE C=C(C)CS(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1561941598 DKMDGAHCRYDFDT-AWEZNQCLSA-N 402.513 1.815 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCC(=O)N(C)C)c(OC)c1)C1CCN(C)CC1 1563556182 KOCUFKXCIZIDDF-UHFFFAOYSA-N 416.522 1.401 30 10 HDEE C=CCN1CCC(NC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)CC1 1563958548 MTUMWGPXLCRXEU-LJQANCHMSA-N 407.536 1.823 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nc(O)c2[C@@H]1/C=C\c1ccccc1 1565531611 ONYIBFDOIKZNMM-UWUBPMADSA-N 418.457 1.773 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1OC 1565644458 RVMZSUZRHQXCHK-HZPDHXFCSA-N 418.494 1.936 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3cc(C=O)c(-c4ccccc4)n3)CC2)nc1 1583088401 WXDQUPSVVAXPLT-UHFFFAOYSA-N 400.442 1.978 30 10 HDEE COC(=O)CN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 1584018321 OIVBVURDJJKFRU-AWEZNQCLSA-N 407.492 1.559 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cccc(C#N)n1)C2 1584353497 ONDKOUZKAVLIGG-VWVPQACVSA-N 414.462 1.872 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(N(C)C(=O)OC(C)(C)C)CCC2)CC1 1584999858 BMMROGLAUQUFHC-UHFFFAOYSA-N 406.527 1.060 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1cc(C#N)ccn1)c1ccc(S(C)(=O)=O)cc1 1586182969 IBWLIKLGBUUKMW-IBGZPJMESA-N 401.444 1.565 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 1586493904 LXCGCBZUEHDFKQ-UHFFFAOYSA-N 414.325 1.186 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 1587823803 ZMQKOBHMQKQSFL-MRXNPFEDSA-N 417.535 1.834 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588041001 TZKLZDCREWHSOK-IAGOWNOFSA-N 418.519 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)COCC2 1588073714 BWKPNDKGQOQQIJ-UHFFFAOYSA-N 403.486 1.708 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588075085 XETSAGIQNBJRCM-HZPDHXFCSA-N 408.524 1.061 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1588806275 LRGRXPUNSVQWIZ-UHFFFAOYSA-N 422.537 1.281 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1589070661 VVDWPUMHQUICMN-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589403519 AFKSBBBDPSPEDZ-NWDGAFQWSA-N 405.318 1.314 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1589558525 LLTJUBMSPVOAPO-QRFRQXIXSA-N 410.522 1.912 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1589608330 FREGBDAYGIADSX-FQEVSTJZSA-N 420.535 1.906 30 10 HDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1593851823 GDVYKTADLPLVFK-UHFFFAOYSA-N 412.899 1.950 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594775369 SFVVSVKPZBFEAH-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccsc2)C1 1595674187 NRRNADPVPCTHQA-HIFRSBDPSA-N 411.553 1.779 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@@]1(OCC)CCOC1 1595830902 JEJBOUQEOICDGI-TXPKVOOTSA-N 410.540 1.520 30 10 HDEE C#CCC1(NC(=O)c2cc(S(N)(=O)=O)c(Br)s2)CCOCC1 1596539514 RIVRGSYNOYIHAS-UHFFFAOYSA-N 407.311 1.460 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cc(C#N)c(F)cc2C)c1 1597014984 MIYQQKWLRXNRIE-UHFFFAOYSA-N 420.466 1.837 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]1CS(=O)(=O)C2 1597371819 IXEBQOZLVZINIW-LNLFQRSKSA-N 423.485 1.541 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1608474127 NMDIRJZXTFSTTL-UWJYYQICSA-N 418.542 1.990 30 10 HDEE Cc1noc(CCCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)n1 1612642279 BZGSTMWOAKIAJP-FQEVSTJZSA-N 412.498 1.855 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1613558405 ATHAOSOPJDOMRH-LBEKAKSKSA-N 424.546 1.940 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC#N 1617370057 REFGBIOOAPKLTK-HNNXBMFYSA-N 415.523 1.885 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C[C@H]1O 1618886831 VIXVEGABLONFKR-KBRIMQKVSA-N 415.450 1.393 30 10 HDEE CO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1618955502 HGIMDUALZPIQHG-OLZOCXBDSA-N 416.404 1.210 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1622146269 UJJOWMICBAMOHJ-MFKMUULPSA-N 416.297 1.261 30 10 HDEE C#CC[C@H](COC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1623660006 XTCJEWLEVKRFGY-RHSMWYFYSA-N 409.464 1.293 30 10 HDEE C=C[C@@H](O)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1626338672 GNYCQJATTUXZSF-CYBMUJFWSA-N 400.216 1.123 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1627800518 XDGZPNSJKCOYEQ-MRXNPFEDSA-N 421.404 1.726 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cc(F)c(C#N)c(F)c3)CC2)CC1 1628178465 HKUCOHPUPFTFFP-UHFFFAOYSA-N 419.476 1.147 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1629213404 XSGYPLLMEVOMAH-HNNXBMFYSA-N 403.236 1.295 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 1629537120 RGYKFUDQCDUFOD-UHFFFAOYSA-N 402.454 1.872 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)nc1 1633494974 WPYMRYWHBMAUAD-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE Cn1cc(I)c(CNC(=O)C#Cc2ccc3c(c2)OCO3)n1 1636865969 QUCYDTNNFPLYKC-UHFFFAOYSA-N 409.183 1.421 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncc(C(F)(F)F)cn1 1637063427 PJNZCIVBXLZXJA-SNVBAGLBSA-N 413.381 1.350 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2cnn(C)c2)c2ncon2)cc1B1OC(C)(C)C(C)(C)O1 1637751481 BRUYXNDVFAFYPS-KRWDZBQOSA-N 423.282 1.930 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl)C(=O)OC 1638827887 YCARTNLPPAQNIU-CYBMUJFWSA-N 419.286 1.729 30 10 HDEE N#CCn1c(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc2ccccc21 1639970239 DGFONZNWLSLLGH-CHWWFWEZSA-N 414.487 1.106 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@@H](CO)[C@@H](CCO)C2)CC1 1640727535 NOMWKAWOCHKGKJ-HOTGVXAUSA-N 414.462 1.472 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCOc2ccccc2I)C1 1643609341 KUNCFLHTHOUFAE-HNNXBMFYSA-N 400.216 1.937 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1cn(C)nn1 1643848735 DDDZEBUBGCJZMU-INIZCTEOSA-N 411.510 1.617 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)N(CC#CCN1C(=O)c3ccccc3C1=O)CC2 1644797069 KWGPVHZNBPPRNH-UHFFFAOYSA-N 409.467 1.257 30 10 HDEE Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)cc1C#N 1645024732 PHADZADCFUORFL-UHFFFAOYSA-N 413.499 1.942 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1650957528 DFWQEWNQQFQPMN-HQJQHLMTSA-N 402.266 1.992 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c1 1656284033 KIKFJHPHKHIRRA-UHFFFAOYSA-N 412.515 1.701 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)oc1Br)C1CCOCC1 1664580434 YUZQFMHPLLDBAO-JTQLQIEISA-N 406.254 1.535 30 10 HDEE C#CCN(C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1)C1CCN(C)CC1 1678443642 AJWWXZJGFIWPRL-UHFFFAOYSA-N 412.538 1.022 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(C)(F)F)cc2)CC1 1681541180 VEUKLMMCHJQYCW-UHFFFAOYSA-N 400.451 1.093 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)Oc2ccc(C(C)C)cc2)CC1 1682216162 FTPDMMXLRGCCTM-KRWDZBQOSA-N 422.551 1.372 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1682616903 AFUHZBCCRGOEMG-BBWFWOEESA-N 424.542 1.925 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1683027549 VMZNDXNJFHMNRY-AWEZNQCLSA-N 400.512 1.682 30 10 HDEE C=CCC1(O)CCN(C(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1683578703 HUGOLEKRLDXVIB-INIZCTEOSA-N 407.486 1.852 30 10 HDEE C#C[C@H](CCC)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683684684 DERULSWUSJOBCU-HUUCEWRRSA-N 401.529 1.512 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)cc(C)c1 1690001639 ORIJDKYXDPYNHG-SFHVURJKSA-N 413.547 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN(C)Cc1ccc(F)cc1 1690025400 OYIWGIYNFPTGAE-UHFFFAOYSA-N 422.508 1.744 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1690059390 PDEGUXIXRODIPB-KXBFYZLASA-N 411.572 1.679 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1690076901 DJEPRHWBCDJFAY-MOPGFXCFSA-N 416.547 1.897 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCc2c(ccnc2O)C1 1690673425 WABMEGXTDPVPPN-UHFFFAOYSA-N 405.462 1.229 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1691001425 IKMLRNLTVRDPEO-IHSNIMORSA-N 402.499 1.553 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1695430564 HCMWMJUVTFHVJP-HNNXBMFYSA-N 409.494 1.400 30 10 HDEE COc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2C(C)(C)C)ccc1OCCO 1697272688 AKJQGEGXVFFIMA-INIZCTEOSA-N 415.494 1.732 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCO[C@H]2CCOC2)cc1 1698485568 HYPMICLMXZPBGU-IBGZPJMESA-N 424.505 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705486147 XPIDNYXKAWTSOH-NVXWUHKLSA-N 417.535 1.836 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1705544756 CPAKETUFNLWXLR-UHFFFAOYSA-N 424.486 1.778 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1705549407 UTNRZTUEQNLWMQ-CZIZESTLSA-N 406.446 1.550 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1705569261 AFFIJWYFUMTUKG-GOSISDBHSA-N 420.510 1.671 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCO2 1705600619 GLXUPEWUYFUGOD-UHFFFAOYSA-N 405.458 1.640 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(OC)CCCC2)CC1 1705635042 PJALTYVREMTGNA-QFIPXVFZSA-N 417.554 1.645 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC[C@@H]1C 1705656201 RFWVFZQVJAEVMH-HNNXBMFYSA-N 410.507 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1705671933 CUEMKGYHJNTVCT-DENIHFKCSA-N 411.554 1.908 30 10 HDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705740882 ZNODIDZZTQNHSZ-CSODHUTKSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1705900913 UGJYPKIMIOBTIU-AWEZNQCLSA-N 411.470 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(F)F)C1 1705901153 BZUYSMJUUQOZTK-GFCCVEGCSA-N 422.436 1.790 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC(C)C)CC1 1705902897 LWYKQMBKNNKGKH-SFHVURJKSA-N 420.558 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccn1 1705935849 FDZPHMYKSDCGJP-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1710202095 UHKROYSYTSCHOD-CVEARBPZSA-N 411.510 1.946 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1722331970 BJZMBZSWILXGBQ-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722338459 ICIVUFKVCDYXNA-FIKGOQFSSA-N 401.511 1.587 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1722350150 NXFWSKXNANOYRL-IBGZPJMESA-N 417.473 1.970 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368824 WNFMWNPNYIPBTA-QGZVFWFLSA-N 423.583 1.266 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1722431937 QOLCNJKTNTYELK-QZTJIDSGSA-N 423.521 1.496 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)CC1 1722629605 MMQVIIGNQOJITB-GOSISDBHSA-N 405.543 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@H]1CC 1722696509 AQESRHYCSIUYAW-UONOGXRCSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC[C@@H]1C 1722701808 FOJAPXHQEGJPBU-INIZCTEOSA-N 401.515 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(C)C)C1 1722716235 XAVUMJDMZRHLSI-CABCVRRESA-N 402.499 1.737 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1728795656 RIAXRAQYYKVZQH-IAOVAPTHSA-N 415.416 1.796 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1740554183 XCZDERZEFSYOKA-DOTOQJQBSA-N 406.552 1.845 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCCOC 1740608207 CCURHRDBHLCAIL-UHFFFAOYSA-N 424.461 1.544 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740648363 JYJSGEKHCDUDDW-IBGZPJMESA-N 418.501 1.959 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ncn(C)n1 1740686213 PREORPPFLHCYGY-QGZVFWFLSA-N 409.450 1.053 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)OC(C)(C)C)CC1 1740694199 BVVISIZPEZTANS-QGZVFWFLSA-N 418.542 1.800 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740723482 SHKZPQKKOBBUKZ-MRXNPFEDSA-N 407.540 1.009 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@@](C)=O)CC1 1740736835 XYYPLALYUMOCOZ-DMKXZODTSA-N 406.552 1.905 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740816694 KXUSSKOUYWGSNC-RBUKOAKNSA-N 409.918 1.788 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCOCC1 1740904105 YBOAOTPLZBKQPB-UHFFFAOYSA-N 418.523 1.174 30 10 HDEE C=CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1740949796 SOEXLFNHHIQPPR-NRFANRHFSA-N 420.558 1.107 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1740950674 CLTLYCGGPRWEOF-NVXWUHKLSA-N 418.542 1.504 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1740954849 TUDYEXRTQHREBE-KRWDZBQOSA-N 417.477 1.589 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CCO1 1741106458 ABQYLZGWNQJORH-QZTJIDSGSA-N 414.466 1.374 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1746362960 GSHJBUHOUCNGSA-QGZVFWFLSA-N 419.493 1.439 30 10 HDEE COC1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748484983 OCJOQAQSIHXIFD-FWWJWKNHSA-N 416.482 1.271 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1748791501 UGCFQPVQNLUCLV-KRWDZBQOSA-N 418.519 1.323 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)OC(C)(C)C 1748874630 ABVGAGQFLQFQHT-UHFFFAOYSA-N 416.526 1.794 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1748925223 FFCGHKNVMCVHBW-AWEZNQCLSA-N 405.524 1.974 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)C(=O)NCC)CC1 1748979860 QAMMYHFVHYMEEZ-UHFFFAOYSA-N 419.533 1.734 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1748989289 KKXSSMQIAKCNIX-HKUYNNGSSA-N 414.579 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCO2)CC1 1749010654 UQHHWHDUCZVJNK-QZTJIDSGSA-N 401.511 1.317 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)NCC)CC1 1749251752 IRJNJMXVDHVYGJ-CQSZACIVSA-N 400.911 1.606 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1749634930 MSUPSQCSSZNAAX-LJQANCHMSA-N 423.565 1.973 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOCC(F)F)CC2)c1C#N 1751827379 CXQPAGCPMXPAHG-UHFFFAOYSA-N 408.457 1.499 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1751984276 YLRYFYRLAVBMJV-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1760188422 PCJQOZRWLKEYBG-ZDUSSCGKSA-N 406.537 1.244 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(N)=O)c1 1760247404 ABOOTBPIKSLKHD-UHFFFAOYSA-N 407.478 1.106 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1760322878 YPJMIBAFIDTIRK-SQNIBIBYSA-N 418.542 1.615 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1760469201 YFDXTPUVEDSEOE-HZPDHXFCSA-N 411.572 1.854 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C2CC2)CCOC1 1760688969 QMAAASDYLSIVIK-FOIQADDNSA-N 404.515 1.441 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](F)COC 1763221081 CKAYHYLXXRPPRP-NVXWUHKLSA-N 416.457 1.428 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N(CCOC)Cc1ccc(C#N)cc1 1767817308 CFOKPOFYGQLGSS-GOSISDBHSA-N 412.494 1.790 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1768807120 FGIVPVWWHRSJND-WBVHZDCISA-N 423.477 1.278 30 10 HDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1769202993 XPBNRAYDDBKRCU-HNNXBMFYSA-N 405.524 1.970 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CCS(=O)(=O)N(C)C 1769818942 GDYLEPASPGHIRL-UHFFFAOYSA-N 406.512 1.003 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1769846301 ZKZLSHHTBOHFCB-INIZCTEOSA-N 413.482 1.081 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)CC1 1849728332 FOCTWFPTOCUKKO-UHFFFAOYSA-N 416.503 1.058 30 10 HDEE CN(C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1ccccc1)C1CN(c2nccnc2C#N)C1 1849877035 ZEFIUDSAPAKZNB-PXNSSMCTSA-N 404.474 1.605 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC#CCN2CCOCC2)c1 1850241706 COHOAMAHFBRBLI-FQEVSTJZSA-N 421.563 1.140 30 10 HDEE COc1ccnc(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c1C#N 1853180981 LGOWDUMYVNBJSJ-UHFFFAOYSA-N 422.489 1.910 30 10 HDEE O=C(c1ccc(O[C@@H]2CCOC2)nc1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853282079 YSRWXYFUYNTZNH-LLVKDONJSA-N 407.370 1.733 30 10 HDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc21 1853644378 ZZSBBMKNDOIPQY-YJBOKZPZSA-N 418.519 1.873 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1854123545 OYCPOULFRLTPCC-HZPDHXFCSA-N 417.510 1.567 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4cccc(F)c4)C3)CC2=O)ccn1 1854242050 LLKAHDYGRLSGIZ-FQEVSTJZSA-N 407.449 1.651 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CN2CCCS2(=O)=O)C(=O)C12CCCCC2 1854494504 KGDCWVSGMLFEFK-INIZCTEOSA-N 410.540 1.088 30 10 HDEE CN1CC2(CCN([C@@H]3CCCCN(C(=O)c4ccnc(C#N)c4)C3=O)CC2)CC1=O 1854854059 GLWVDACYIHQWOX-GOSISDBHSA-N 409.490 1.419 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3cnccn3)C2=O)CC1 1854862721 TYTNWQWATLPBEN-SFHVURJKSA-N 406.446 1.275 30 10 HDEE C[C@H]1CCN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855420906 USRPFPYOZCVMOK-MAUKXSAKSA-N 403.504 1.589 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](Cc3nc(-c4ccncc4)no3)C2)CCC1=O 1855615702 KBKSCECUGGZIIC-HOTGVXAUSA-N 408.462 1.675 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCC(F)(F)C3)C2)CC1 1855915421 JSEYCRBFNMCAJE-CVEARBPZSA-N 417.460 1.886 30 10 HDEE Cc1nccn1CCC(=O)N1CC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856468169 GDXNSLGJUSCZGZ-LJQANCHMSA-N 406.490 1.855 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H](F)C3CCCC3)C(=O)O2)CC1 1856672282 SVPVMWFNRPYBKY-GJZGRUSLSA-N 401.460 1.427 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2c(OC)cccc2OC)C1=O)[C@@H]1CCN(C)C1=O 1856748140 GMEQVXUBGGSBKK-JKSUJKDBSA-N 415.490 1.554 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1857024024 PZLIWWLKXYFLQR-FUHWJXTLSA-N 423.579 1.606 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cnc(C)s2)C1)[C@H]1CCN(C)C1=O 1857079382 CVWHWWDWWDZRFN-WBVHZDCISA-N 404.536 1.478 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)CCn3ccnc3)C2)CC1 1857269164 KGWCGESIFVXCOC-KRWDZBQOSA-N 406.490 1.795 30 10 HDEE C#CCOC(=O)Nc1ncccc1OCC(=O)NS(=O)(=O)c1ccc(C)cc1 1858699056 GFQYAVPIUUZSFA-UHFFFAOYSA-N 403.416 1.456 30 10 HDEE C=CCNC(=O)C(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861511795 SSYFSKKWTRRMTH-UHFFFAOYSA-N 406.442 1.688 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)cc1 1862626243 YQVSMJIATRDAPR-LJQANCHMSA-N 424.409 1.835 30 10 HDEE CCCCCCCOc1cn(CCOCCO)c(CN2CCN(C)CC2)cc1=O 1870414720 XPVMSNUTZTVVQX-UHFFFAOYSA-N 409.571 1.954 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN(C)Cc1ccccc1 1870582364 YYQOUQNYIDZNFY-UHFFFAOYSA-N 411.502 1.904 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874341746 RHUKOBZABIGDDF-FVOVHSBVSA-N 418.479 1.877 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(C#CCN(C)C)CC1 1891047056 YEFOAHRNUVJGBJ-SFHVURJKSA-N 422.551 1.248 30 10 HDEE C=C(Br)CN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1985078793 DKRJEHMPCKWHDV-NSHDSACASA-N 413.334 1.681 30 10 HDEE C=C(CNC(=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]21)B1OC(C)(C)C(C)(C)O1 1991967305 YBWULSGKFWBWAB-KKUMJFAQSA-N 408.304 1.925 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2034577528 LHENEWQGUSXORN-HUUCEWRRSA-N 406.504 1.938 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2059528636 IIWPLIFIZMTQJC-LSDHHAIUSA-N 411.296 1.995 30 10 HDEE O=S(=O)(NCc1ccc(C#CCCO)s1)N1CC(OCc2ccccc2)C1 2161938038 KSRGYNINPILFNE-UHFFFAOYSA-N 406.529 1.717 30 10 HDEE C=CCC1(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2181118458 ACUAJPIBYNLJCK-KGLIPLIRSA-N 401.529 1.183 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2243390083 ZYPPMVPPLZYWJD-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684964 KGKHDGOHLICXKH-LLVKDONJSA-N 422.316 1.114 30 10 HDEE Cn1nc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247922474 IDUIOQCJZNTCEQ-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CO[C@@H]1CN(C)C[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939797 HPCXUUPUWJDISO-NWDGAFQWSA-N 400.737 1.760 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)sc(C)c1C 2281993523 CIGDUWNGPSBRGD-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CN1CCCC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329371 LOLHFNTZQNXGSK-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CCN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282347425 YDQNULFQINSVSM-CHWSQXEVSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CC[C@@H](C4OCCO4)C3)cc2)OC1(C)C 2282415448 HWBQHPAMWXAACP-MRXNPFEDSA-N 423.340 1.510 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CCN1 2282491671 MBSWCAGGCJEHFB-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE C[C@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494354 YPHVOPJPWLRIGI-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CCOC(=O)CCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497963 XDVKFJKLQOWYCO-UHFFFAOYSA-N 403.331 1.669 30 10 HDEE C[C@H]1CNC[C@@H](C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498711 IFFWCEQZTWQZBW-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CCCCN(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504611 RIMYWYOVKJYMRG-UHFFFAOYSA-N 403.375 1.972 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)[C@H](O)[C@@H]3CF)c2Cl)OC1(C)C 2282662784 GDUYTEQJYUMHLQ-JBLDHEPKSA-N 405.684 1.216 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@]23CC3(F)F)OC1(C)C 2282831844 FLWXFAALOGRGMV-IINYFYTJSA-N 406.285 1.659 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCN[C@@H](C)C1 2282843485 OGYJRESVAIPOLI-WCQYABFASA-N 400.375 1.775 30 10 HDEE C[C@@H]1NCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846205 GESPZRLZGMDWAQ-SMDDNHRTSA-N 400.737 1.668 30 10 HDEE CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867077 SXLWCZXEOXKJIY-NSHDSACASA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCCC[C@H]2N)OC1(C)C 2282883660 DFHQCYNCKFKKRW-ZIAGYGMSSA-N 400.375 1.986 30 10 HDEE C[C@@H](COCC(=O)O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2284392330 VZDFGQYEYYHNEZ-VIFPVBQESA-N 403.693 1.920 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415405 XJMVFNQRSYQGQR-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(O)=CC(=O)c2ccc(F)cc2)cc1 2297341503 YKGHKFPLOGTCEH-UHFFFAOYSA-N 406.391 1.914 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)[C@H](C)O2 2365200660 ADKKTPSPGQTFIX-FTUNRGFVSA-N 400.541 1.616 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365242189 WWIGSGJZCPLPEM-UGSOOPFHSA-N 405.513 1.976 30 10 HDEE COC[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367791144 XVAKRHIWVMTICQ-BEFAXECRSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 2367800461 JQMCTOBMQACUHB-MGPQQGTHSA-N 406.495 1.951 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2367811312 HBOZPXOYTSQVEC-LSDHHAIUSA-N 400.541 1.306 30 10 HDEE Cc1cccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72444399 WPELCAJFSUDUBE-HZPDHXFCSA-N 421.457 1.645 30 10 HDEE O=S(=O)(NCC#CCOc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 90730981 IUNJNSJHGPEKDU-UHFFFAOYSA-N 403.412 1.547 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(CSC)nc3ccccc32)CC1 105265341 BYYSGLUMPLJEBN-UHFFFAOYSA-N 401.536 1.346 30 10 HDEE COc1cccc(CN2/C(=N\C(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 229223439 PWFODRFQFCSELM-YSKCBMAYSA-N 410.517 1.471 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1c(C#N)cnn1C1CCOCC1 427780958 OBBQIGQQOPIJLP-UHFFFAOYSA-N 410.477 1.311 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 445937920 MHNNTZMZTRCKCW-LLVKDONJSA-N 417.281 1.384 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)[C@@H](C)OC)nnc12 470216076 ZWUOJHACZBVKRW-QWHCGFSZSA-N 401.492 1.862 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 479826544 AFBPFBGWLCSWBC-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE Cc1ccc(CN(CCO)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)o1 483236905 YTYBXBICHVKTQH-NRFANRHFSA-N 414.481 1.931 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)CC1 497417601 MBRBEJNPLXKIBA-UHFFFAOYSA-N 418.473 1.197 30 10 HDEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 505016919 NVHMEAPNFMEIFH-UHFFFAOYSA-N 408.524 1.532 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 509213794 WREFNKCSJPEHLT-UHFFFAOYSA-N 415.465 1.989 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)cn2)cc1 539519804 AEHWLHWODGEVID-UHFFFAOYSA-N 400.460 1.796 30 10 HDEE CCC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 540548119 CIJRQWMPRZPDQG-DLBZAZTESA-N 403.552 1.448 30 10 HDEE COC(=O)C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 540604320 HPONOAPHTCBVKZ-IUODEOHRSA-N 413.434 1.417 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCCNC(=O)[C@@H]2Cc2ccccc2)c(F)c1 549512243 OLSNBKXYHMWTPX-IBGZPJMESA-N 401.463 1.960 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C[C@@]3(C)NC(=O)NC3=O)cc2C1=O 553447806 FWNCINOHZDOYAU-LRTDBIEQSA-N 410.430 1.061 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)C2CCOCC2)cc1Br 562417623 WZLRNZABUQZALF-AWEZNQCLSA-N 417.281 1.869 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCCCO2)CC1 577233945 IVAVLYFFKOHALC-KRWDZBQOSA-N 404.559 1.569 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)ccc1C#N 580985186 RGHNZZNMTRYILT-AWEZNQCLSA-N 406.450 1.425 30 10 HDEE CN1CCC[C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)[C@H]1c1cccs1 588128950 UOLPZFYSNLSOHV-YJBOKZPZSA-N 403.552 1.351 30 10 HDEE C[C@@H](C#N)CN(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CC1 611095198 BRPROSQIVFZEGC-AWEZNQCLSA-N 406.512 1.319 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 670199070 SUVKPBOEEVYQBX-KRWDZBQOSA-N 416.526 1.165 30 10 HDEE C#CCN(C[C@H](CC1CCN(S(C)(=O)=O)CC1)NCC)C(=O)OC(C)(C)C 691247291 XLEBMCVENDOONA-KRWDZBQOSA-N 401.573 1.897 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)cn1 730144481 NEZOJROWYAGKDS-BPLDGKMQSA-N 405.524 1.498 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 730394109 SKCSIDWGTGEQIE-HNNXBMFYSA-N 401.419 1.696 30 10 HDEE C#CCN(C(=O)c1csc(-c2ccc3c(c2)OCCO3)n1)[C@@H]1CCS(=O)(=O)C1 731340632 UUPWIRKUEKMCLN-CQSZACIVSA-N 418.496 1.844 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 734275956 SGUMVVKRUFJSQM-INIZCTEOSA-N 409.531 1.015 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCOc1cccc(Br)c1 735852319 HQCYYMSBGDTVGA-MSUUIHNZSA-N 408.252 1.861 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N(C)Cc1cccc(F)c1 741339174 CHZQQOMPRXKRMF-LTFJSZEESA-N 403.410 1.632 30 10 HDEE CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 746039864 YHUAFWHVAUFLTQ-CQSZACIVSA-N 416.503 1.939 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCO[C@@H]2CCOC2)C1=O 757369140 CGRFKTJQXNHFEQ-WBVHZDCISA-N 416.503 1.821 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 761032580 KXSOYVDTSQCLSR-OAHLLOKOSA-N 420.318 1.293 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 774163028 LNHXMOHSWVGDSN-XYJFISCASA-N 420.535 1.027 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CCCOCC(F)(F)F)CC1 774522404 DIRYIMKFRVYZIN-UHFFFAOYSA-N 406.430 1.297 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CCCC1 779313932 CKYNCXDFVHYSIV-VNHYZAJKSA-N 414.553 1.242 30 10 HDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 780207551 WSNCEFQFODUXTP-QRWLVFNGSA-N 409.442 1.578 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 782984104 PAWZUQCDNUMEDN-UHFFFAOYSA-N 413.271 1.236 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)CCC3)N(CCCn2ccnn2)C1=O 784126772 ZSBQKHYTNKFEFR-KRWDZBQOSA-N 412.519 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ncccc3F)C2)n1 789083932 YBQALAUIIBNDPQ-INIZCTEOSA-N 400.458 1.487 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1 790106137 SHKQHBLQXTTYGT-UHFFFAOYSA-N 413.434 1.138 30 10 HDEE C[C@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 790671517 PJEMORNNMBERPP-BUXKBTBVSA-N 403.822 1.695 30 10 HDEE CCO[C@@H]1C[C@]2(NC(=O)N([C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2=O)C1(C)C 794796176 SSRSULARSSDBGS-POLYTFBCSA-N 406.483 1.871 30 10 HDEE CNC(=O)C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 797767005 SZPILZBFBOQMFF-MRXNPFEDSA-N 414.487 1.109 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cc1 807932519 BSZFRVYCMMJOOE-INIZCTEOSA-N 414.491 1.624 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 810983468 TXIKSJKBWFABQN-GOEBONIOSA-N 408.524 1.663 30 10 HDEE C#CCN(C(=O)NC[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 813812246 RHGLANICXSIWHJ-ZNMIVQPWSA-N 417.503 1.166 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cc(C#N)cc(N(C)C)c2)C1 814574032 XPDKETGNELRCLZ-IBGZPJMESA-N 402.495 1.254 30 10 HDEE C#CCN(C(=O)CSc1nncn1-c1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 918756026 KNVPEJHJXHRNRC-OAHLLOKOSA-N 420.516 1.017 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c1 1135523740 OUZBCINHVFLBGV-UHFFFAOYSA-N 414.487 1.731 30 10 HDEE CC(CO)(CO)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1141466411 PYRJIQBOYJJGDW-KRWDZBQOSA-N 403.479 1.500 30 10 HDEE CN(C1CCN(C(=O)c2ccc(Br)cc2C#N)CC1)S(C)(=O)=O 1142491712 ADNSXAVPUIXZQE-UHFFFAOYSA-N 400.298 1.817 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)OC)c1 1144472151 NIXLPQDURVRUMF-GOSISDBHSA-N 414.483 1.640 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(OCCc3ccccc3)nc2)c(=O)nc1O 1146497667 HGFJGKASHDUIBL-UHFFFAOYSA-N 405.414 1.866 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)cc1Cl 1148193501 BZKTZUGJQAPKKT-CRAIPNDOSA-N 416.909 1.934 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc1OC 1150305207 SECJVGMLRQKEGZ-KRWDZBQOSA-N 408.520 1.595 30 10 HDEE C=CCC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC 1158281671 ZFIMSYGRVNJNTR-HNNXBMFYSA-N 411.476 1.636 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1161909770 IDBNWSPAGDJNCP-GOSISDBHSA-N 415.446 1.534 30 10 HDEE C#CCNC(=O)CN1CCCN(c2c([N+](=O)[O-])cnc3ccc([N+](=O)[O-])cc23)CC1 1162437322 JPDVRSRUNPBUEL-UHFFFAOYSA-N 412.406 1.313 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1163163201 QKSHVQLVALCKNS-HXUWFJFHSA-N 405.520 1.501 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1175934675 YZQCHHFESKEDFJ-GOSISDBHSA-N 403.523 1.786 30 10 HDEE C#C[C@H]1COCCN1CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 1195029441 VFJCHEUADXYGLB-HNNXBMFYSA-N 408.296 1.488 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 1218747144 KCWJHYPUIGUXJV-HZPDHXFCSA-N 418.475 1.176 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC1 1219444495 FVBNGZQHPORRHY-UHFFFAOYSA-N 409.464 1.421 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@]2(CN(Cc3ccccc3)C(=O)CO2)C1)C1CCOCC1 1231333684 ZLHJEQPVNXLELX-NZQKXSOJSA-N 411.502 1.628 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2nc(C3CCOCC3)n[nH]2)CC1 1234273065 HDXSABHMWRBUBS-UHFFFAOYSA-N 413.457 1.741 30 10 HDEE C#CC[C@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1251158379 VZCCENYDFVPEFH-CABCVRRESA-N 409.483 1.003 30 10 HDEE C=CC[C@]1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCCN1C(=O)OC(C)(C)C 1275712400 LEBXXBORYFPTSV-HXUWFJFHSA-N 420.514 1.619 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1286274255 NFDQJCDYBOWKKQ-CYBMUJFWSA-N 423.926 1.364 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1286298730 OFEXLBLRMSCUDU-BBRMVZONSA-N 416.507 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1286409919 VTIKYUYDVDHVAB-UHFFFAOYSA-N 411.531 1.286 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286458159 LLYIAIXWSWQRCY-QGZVFWFLSA-N 419.526 1.901 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2cc(OC)c(OC)c(OC)c2)CC1 1286478900 IADFHNKMWUEBGF-UHFFFAOYSA-N 411.506 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2=CCCCC2)CC1 1286490922 XGUYEEFWTDYQFA-SFHVURJKSA-N 410.522 1.695 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286503568 HWPWJLCFEKZDDF-HXUWFJFHSA-N 414.535 1.876 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286671360 XGPYIKFCOFZWSD-UHFFFAOYSA-N 423.525 1.868 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3nccn3C2)C1 1286799361 VFBRZVUJGMGBDQ-IAGOWNOFSA-N 413.526 1.657 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(CC)C1 1286823254 SIJJMEAZYURMHF-HXUWFJFHSA-N 419.551 1.870 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286969338 FTSLZJNBEDKFNL-JXFKEZNVSA-N 417.535 1.209 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cncn1 1287009379 WQSPJKSEOYEGIH-UHFFFAOYSA-N 406.498 1.461 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1288551152 JCGIUUDEABFCEP-RDJZCZTQSA-N 412.494 1.855 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1cccc(Cl)c1 1289206792 QHRKRLWQRJNIRL-YRMAPFEESA-N 421.906 1.256 30 10 HDEE Cc1cnc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)s1 1290292734 AWIPTZNOYLJXRF-GXTWGEPZSA-N 403.512 1.714 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cs1 1290423291 JPGFQCMHGRHSAG-CYBMUJFWSA-N 411.491 1.849 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1297397175 UCUXOENPQNFYFM-BQASMSSTSA-N 416.526 1.965 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1300271094 GOMGSWWTSAMYQS-STQMWFEESA-N 411.478 1.867 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1300336950 QVVTVJHYMHLDOY-JOCHJYFZSA-N 414.554 1.619 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1300363766 GCLKEMUNBGNDDU-IXDOHACOSA-N 419.551 1.041 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1300475888 BMSXTZRHFAFYBV-HNNXBMFYSA-N 404.515 1.898 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(N)=O)c1)[C@H]1CCS(=O)(=O)C1 1300483208 ITVXPIWVBXEYBR-KRWDZBQOSA-N 415.519 1.175 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCO[C@H](C)C2)CC1 1300710874 OOLLCYPNHKXRAB-WOJBJXKFSA-N 416.570 1.386 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@H](O)C34CCC4)CC2)cc1 1300842585 UTAVDGRMJIWEJN-ROUUACIJSA-N 403.504 1.379 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1300988837 KJZBBXVNUCCTGP-SFHVURJKSA-N 420.558 1.023 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)C1 1301489838 DKRCDOACNWCTJL-UHFFFAOYSA-N 400.483 1.453 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCOC2)C1 1301567360 VXSWGXCTAMEWAC-APWZRJJASA-N 405.524 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C)C1 1301587577 VQVAESNFZASJIT-CYBMUJFWSA-N 411.553 1.460 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1302948380 SEVUSBRPHIJPMU-JOCHJYFZSA-N 422.537 1.548 30 10 HDEE N#CCC1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCO)CC1 1303011798 SOTJAMVTMSERBI-UHFFFAOYSA-N 416.482 1.535 30 10 HDEE CCOC(=O)CON=C(C(=O)N1Cc2ccccc2N2CCC[C@H]2C1)c1cc[nH]n1 1303018827 MBPDFXDUTSUIDZ-INIZCTEOSA-N 411.462 1.705 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1303900667 VVODXJULVWAFOD-KRWDZBQOSA-N 405.524 1.418 30 10 HDEE Cc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)c1 1304495297 BCCCFDUDNQBDKT-HNNXBMFYSA-N 402.524 1.985 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@H](CC(F)(F)F)C3)CC2)o1 1307949757 ZPLAJQZYSXPUMN-GXTWGEPZSA-N 415.416 1.545 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)OC 1309572618 DBFWYTPRLWIULV-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE CCCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1313491713 DDBIHDZDKUBRTG-CQSZACIVSA-N 422.493 1.457 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1314943073 BJGGJAAMFNPLJA-AWEZNQCLSA-N 416.457 1.497 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1316099254 VJNNGTFDIGFUKS-NRFANRHFSA-N 407.478 1.662 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)CC1 1316536002 KATNKQRNDMTHET-DLBZAZTESA-N 405.524 1.655 30 10 HDEE C[C@H](CCNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)N(C)C(=O)OC(C)(C)C 1338931078 CXMQSYBRDCUIHF-JFVSRZABSA-N 409.487 1.458 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1358871252 BVQJCIJLPLGJEH-SOUVJXGZSA-N 423.514 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358886568 GRSNSUQXDTYJOB-CXAGYDPISA-N 404.478 1.829 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(COCCOC)cc1 1358886658 INNDTTYBRGCPPF-APWZRJJASA-N 411.506 1.898 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1358935077 WJSXSIIXJDZVEY-SFHVURJKSA-N 411.506 1.800 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358965251 QTYXWSNBHZAGEF-ZWKOTPCHSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCN(C)C1 1358982476 YJTLAXDROBMNJM-HSZRJFAPSA-N 407.518 1.613 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](COC)OC 1358989485 DOXZQYPZFCBTPZ-GOSISDBHSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1359025668 VXAZCAAEJJZGHL-IRXDYDNUSA-N 403.506 1.273 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCN(CC)C2)CC1 1359028993 LNIWKVODWPYFPO-GOSISDBHSA-N 422.537 1.022 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359032019 YJQINLSYZINOCG-HTAPYJJXSA-N 406.490 1.112 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359158056 CXFQTNBZMIZRPT-OAHLLOKOSA-N 409.494 1.997 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1359230096 FZUNMSMWHQBOFL-HNNXBMFYSA-N 412.485 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359334563 JUDFUOMXIJXPFA-GJZGRUSLSA-N 407.540 1.094 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1359417771 DWODJJHBQVLKHP-IBGZPJMESA-N 404.478 1.703 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCS(=O)(=O)C1 1440685758 SRBZDCHDTSALGE-LPRCSBTHSA-N 411.524 1.419 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(F)F 1443537457 PNWPXLHIHAYIOA-WCANQGIASA-N 414.409 1.035 30 10 HDEE Cc1nsc(N2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1445035229 RZMBRCXMXNBVKY-UHFFFAOYSA-N 423.495 1.635 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)[C@H](C#N)C1 1445370222 KUQBFTDBXRELFP-MCIONIFRSA-N 421.416 1.942 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 1445689068 LZTHUEYPWNBQDL-FQEVSTJZSA-N 404.470 1.612 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)CC1 1445692194 QCGGQKGVVKZIOF-UHFFFAOYSA-N 401.444 1.452 30 10 HDEE Cn1cc([C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)c2ncon2)cn1 1450326226 AWKXRMXSSMNCFS-OAHLLOKOSA-N 417.223 1.722 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1457036080 ZZNRISCKRXIGDL-ROUUACIJSA-N 406.504 1.446 30 10 HDEE C#CCCN(CCOC)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1461785628 UTHSYFAFETXDMW-CALCHBBNSA-N 408.520 1.596 30 10 HDEE CC(C)c1nnsc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1464022130 AFYCJDLHCGXBSI-UHFFFAOYSA-N 405.505 1.680 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1464389732 ZCHGDODSTNFJTC-SECBINFHSA-N 410.261 1.980 30 10 HDEE CC(C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CO 1468043140 KEHVGQCUBDAJQP-VBKZILBWSA-N 423.469 1.665 30 10 HDEE CS(=O)(=O)c1ccc(-c2csc(CC(=O)N[C@H]3CCCN(O)C3=O)n2)cc1 1468453869 QPRDEKVOKPDMQE-ZDUSSCGKSA-N 409.489 1.253 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1 1469546109 PIIWCJDEHFUGGH-KRWDZBQOSA-N 423.498 1.960 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)C1CCOCC1 1469916332 DIRSNQYXEDBEEB-HNNXBMFYSA-N 417.890 1.485 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1 1470352731 KOVJVMJBTYELIF-UHFFFAOYSA-N 405.930 1.561 30 10 HDEE C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@@H]1CN(C)CCN1C 1471600181 HCIGQOZCTDMJOZ-KXBFYZLASA-N 403.502 1.884 30 10 HDEE C#CC1(F)CN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1471608336 GPCRTWTYBWCRCR-HXUWFJFHSA-N 405.429 1.684 30 10 HDEE Cc1cc(Cn2c(=O)c(C#N)c(C)n(C)c2=O)c(C)cc1I 1473069135 GYNNSIZACAMCNP-UHFFFAOYSA-N 409.227 1.997 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 1473324881 HRFIAPFCXDBECO-UHFFFAOYSA-N 421.457 1.353 30 10 HDEE C[C@@]1(C#N)CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1473661973 FOYYBHNXXWWTAD-FQEVSTJZSA-N 420.535 1.506 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)nn1 1476180973 AWLZTNNIBYTHBP-UHFFFAOYSA-N 404.496 1.843 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(CC)cc2)CC1 1478077687 PFNSLWXIEGMDRZ-UHFFFAOYSA-N 406.552 1.321 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCS(=O)(=O)N(C)C 1492874885 BJCZQJOMKPNDRQ-UHFFFAOYSA-N 417.539 1.066 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1507583482 SGKZQUGAYPYNKD-UHFFFAOYSA-N 419.493 1.582 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 1507589766 ZUONOLYSHZQZEE-OAHLLOKOSA-N 424.552 1.117 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1507667621 QFPRHWQKLPLEKC-LJQANCHMSA-N 416.485 1.026 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1507741519 VYOBIZOKAAJVKI-IRXDYDNUSA-N 403.527 1.596 30 10 HDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C)C(=O)C1 1507750093 ILYXXELGTFHTPQ-UHFFFAOYSA-N 421.530 1.776 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507965479 GUBXQFFTBARHNC-IAGOWNOFSA-N 404.515 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1508144794 HBHWMVXZTXKJPG-GOSISDBHSA-N 415.519 1.891 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508147380 JLUCLFJNRGUZEJ-AWEZNQCLSA-N 406.512 1.074 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508158435 GZORNAXIRCCLSY-YZVOILCLSA-N 407.540 1.533 30 10 HDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509240549 AYYXWOKWMSYPOM-ZGDSRJCYSA-N 402.499 1.617 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCC2(CS(C)(=O)=O)CC2)ccc1F 1532305244 NYJRRTWMYGHYIP-UHFFFAOYSA-N 418.512 1.235 30 10 HDEE CCc1nn(C)c(C(N)=O)c1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1532511726 QVUVWFCAABBPFW-NSHDSACASA-N 414.853 1.598 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539175832 BYBKPLNIHLMQRS-QGZVFWFLSA-N 417.535 1.888 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(OC)CCOC1 1539265449 GCLJSKHLKBMYII-UGKGYDQZSA-N 408.458 1.669 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1539369579 MZBJDZRRWJWLJC-KSZLIROESA-N 421.567 1.446 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1 1539438329 VOYGVGQIDRBEFW-UHFFFAOYSA-N 421.574 1.621 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)C(=O)NCC)CC1 1539484155 DYLSLHAYOPZNQF-UHFFFAOYSA-N 414.554 1.359 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539512215 AQHCOYGOIDRRFP-IRXDYDNUSA-N 402.524 1.429 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1539632795 UHCDBHIXQOTTMD-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccn2)CC1 1539917371 CFXFQEZWUTXFGG-MRXNPFEDSA-N 410.526 1.948 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539947605 PFPSHDGEJCWISY-CVEARBPZSA-N 402.499 1.805 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)NC1CCCCC1)C1CC1 1540094746 REPZRWMSWTUJDQ-CQSZACIVSA-N 424.571 1.492 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1540198533 LKRRJKVGFLZITJ-INIZCTEOSA-N 413.482 1.270 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)CCCn3cnc4c(N)ncnc43)CC2)cc1 1540502654 FTBZYMZXRXOKFS-UHFFFAOYSA-N 418.505 1.795 30 10 HDEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 1540577480 VUSHUOJDXYDMFS-SJORKVTESA-N 400.385 1.249 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@H](OC)C1 1540865099 VOPBIOZEOBGVKH-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)o1 1540871322 JCVUSROAMYJCAS-CQSZACIVSA-N 407.496 1.020 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cncn1 1541471791 MKFWFBRMRIPIRA-UHFFFAOYSA-N 406.498 1.362 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)CC1 1542768466 DRVANUMABAQDIB-LJQANCHMSA-N 406.490 1.520 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CC2(NC(=O)OC(C)(C)C)COC2)c1 1544669871 BRIQKJOSBICWIW-UHFFFAOYSA-N 401.463 1.749 30 10 HDEE CN(CC1CCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1554220324 PMFWTXMJJLZVMS-GWOGKKTRSA-N 400.483 1.892 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cn1 1556603845 PZAFTWKRXLTZTO-GOSISDBHSA-N 418.461 1.094 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1557361718 AMONNYLLJYPZRW-CYBMUJFWSA-N 403.298 1.008 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ncc(C(=O)OC)s2)ccc1F 1558391406 VOZLWTKBYULXOG-UHFFFAOYSA-N 413.452 1.463 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 1561725428 XELQQUDCWYZKPL-UHFFFAOYSA-N 403.403 1.717 30 10 HDEE N#Cc1ccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 1561744931 DHRXALYBAVRVRX-UHFFFAOYSA-N 419.528 1.864 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)c3cccc(C#CCO)c3)cc2)CC1 1566201383 FLBFOUBTYULLPE-UHFFFAOYSA-N 405.498 1.989 30 10 HDEE C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]1C(=O)OC(C)(C)C 1570510204 FPDPXDVOHXAGRA-RDTXWAMCSA-N 421.519 1.805 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCO[C@H](C(N)=O)C1 1583798401 QAILJQNTRSAZKL-IRXDYDNUSA-N 414.462 1.105 30 10 HDEE N#Cc1cn(CCNC(=O)C2(c3ccccc3Br)CC2)c(=O)nc1O 1585296329 SJBDMPNFRORTTQ-UHFFFAOYSA-N 403.236 1.431 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@H](C(N)=O)C3)CCO2)cc1 1585446358 RXUQSAINQPUWKI-PMACEKPBSA-N 421.432 1.717 30 10 HDEE C[C@]1(C2CC2)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1586135659 WPFBINNORITVHB-OAQYLSRUSA-N 417.531 1.986 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@@]2(O)CCN(C)C2)c1 1587683165 CVXNWLZBCCFTPA-UZUQRXQVSA-N 424.549 1.914 30 10 HDEE C#CCN(c1nnc(COCC)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1588073541 AAPGUPIDRSPTLJ-HNNXBMFYSA-N 400.570 1.583 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@](C)(O)CCOC)CC1 1588848924 RAHOXFXKIYOKTE-QFIPXVFZSA-N 415.513 1.551 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC(F)(F)CO2)CC1 1594013574 IDMQICNGVVEHHZ-STQMWFEESA-N 405.471 1.469 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1595204341 AAEIGXAUZLHOFV-LJQANCHMSA-N 403.508 1.377 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2C)C1 1595529633 BOJYMCVDPBYUMZ-IBGZPJMESA-N 421.505 1.867 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCCC(=O)NC 1595603047 WFGPGWNBZTYMOV-CRAIPNDOSA-N 420.558 1.461 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCSCC2)C1 1595723401 VZOOJDOFHVTVHK-JKSUJKDBSA-N 406.556 1.059 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C1 1595789849 CTBRFCLVZOGHBU-CVEARBPZSA-N 401.511 1.850 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3nccnc3Sc3ccccc3)C2)c(=O)nc1O 1607497061 AVBQMMNLQZJDOT-UHFFFAOYSA-N 406.427 1.459 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(C#N)o1 1614068186 YVQQPPQFBPXBRK-BBRMVZONSA-N 402.455 1.230 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(C2CCN(C)CC2)C1 1616994203 WTLAFQBPNCGTMN-RBUKOAKNSA-N 406.571 1.920 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1618713077 UPQLYTWGNUJCMX-UHFFFAOYSA-N 403.504 1.457 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC[C@](C#N)(c3ccccn3)C2)CCC1 1620483633 XADDOBYHMMUKRW-AZUAARDMSA-N 420.579 1.940 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1623172131 ZNUWIKFSAVMQCY-FQEVSTJZSA-N 405.426 1.319 30 10 HDEE COc1ccc(N2CCN(CCCNC(=O)c3cccc(C#CCO)c3)CC2)cc1 1624528585 KCKDGVIFPJJASA-UHFFFAOYSA-N 407.514 1.981 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(n3cc(Br)cn3)CC2)c(=O)nc1O 1627068385 FIMMSSRNZPOWBJ-UHFFFAOYSA-N 421.255 1.033 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C1CSC1 1632572007 XOOZRDHMAXHNMM-UHFFFAOYSA-N 420.556 1.867 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1635151914 YDNIJLMGTPNENZ-MRXNPFEDSA-N 409.527 1.822 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1637390023 PSZDHCOLBRBRCA-XYGUXCPDSA-N 402.476 1.846 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 1638989334 OQAKDZVDMNNTRE-GOSISDBHSA-N 404.426 1.299 30 10 HDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1639209318 CSUUDQOUFWNVHS-RDBSUJKOSA-N 406.508 1.006 30 10 HDEE N#CCCN(C(=O)CCC(=O)N[C@H]1CCN(c2cc(O)ncn2)C1)c1ccccc1 1640104345 BRDJRDDDQQOEQZ-INIZCTEOSA-N 408.462 1.604 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1 1642709386 SASGZHVQCSURFV-MRXNPFEDSA-N 417.514 1.395 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)s1 1643526548 CSVBIKHCOUEDGN-CDEUHXGRSA-N 402.563 1.267 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1655606861 XXZPIHSVYYAPAK-QYZOEREBSA-N 406.504 1.745 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC 1665020028 XWUCYSYSLNXDHF-SREVYHEPSA-N 411.501 1.629 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OCC 1665797278 SVUQBPAPIJEACV-ZDUSSCGKSA-N 409.913 1.920 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccnn2Cc2c(OC)cc(OC)cc2OC)CC1 1670564492 JMPAOZUUIRCLMZ-UHFFFAOYSA-N 414.462 1.949 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n(C)c1C 1671495378 QUQSZTFNVMVNOL-BBRMVZONSA-N 419.482 1.678 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 1672592893 HFZWFOPIAWWPIF-MRXNPFEDSA-N 415.475 1.732 30 10 HDEE C#C[C@H](NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccc(Br)cc1 1674025262 BLSNOWPMWMGFSP-LSDHHAIUSA-N 419.279 1.801 30 10 HDEE C#Cc1ccc(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1 1681091097 YVQRUTZGKBBSMJ-UHFFFAOYSA-N 414.267 1.714 30 10 HDEE C#C[C@@H](NC(=O)NCCN1CCC2(C1)OCCO2)c1ccc(Br)cc1 1685413159 RCWZHTNEAUIQHN-MRXNPFEDSA-N 408.296 1.871 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)nc1 1685470163 GSDBPVUNVIMYIA-MGNMYUMUSA-N 403.508 1.647 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1 1686634606 XHABYXKPBOOKGE-MRXNPFEDSA-N 412.412 1.723 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)C1 1687593551 TUIQSGHJNAYVEO-LAUBAEHRSA-N 406.527 1.505 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1689875652 YNWXOJLWLUIJMW-UHFFFAOYSA-N 411.466 1.617 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1689886624 BCUADINGMGCFMA-AWEZNQCLSA-N 421.523 1.679 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1nnn(C)n1 1690099870 OKFMYIDPSFXTOX-UHFFFAOYSA-N 405.466 1.095 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2cccn2)cc1 1690102434 KYKGODACSDWOCI-IBGZPJMESA-N 419.489 1.549 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690154428 NWRZTMAMIFVSMD-INIZCTEOSA-N 417.539 1.094 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690173078 VTGNTBXLTFTBLG-UHFFFAOYSA-N 413.551 1.889 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)CCNS(C)(=O)=O 1690244384 WZAKVAFUOLQJHF-RDJZCZTQSA-N 420.539 1.307 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)C[C@H]1C 1690432554 GMMZBQSPNPUSKJ-CABCVRRESA-N 409.556 1.449 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC2(CCC2)C[C@H]1CC 1690655289 NQTWQMPCLSJAJT-MRXNPFEDSA-N 400.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCOCC1 1690665572 ILYZFQOMXXFQRA-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1690699505 GBPHZIFGEIHMHQ-QZTJIDSGSA-N 421.567 1.223 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](C)[C@H](OC)C1 1690722289 DETHWGPRYLWKSX-GOEBONIOSA-N 406.512 1.197 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1690733590 ISTFOYNMZSLHIL-QGZVFWFLSA-N 422.599 1.637 30 10 HDEE CCOC1CC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)C1 1696199851 HSYOPLBLGJJDMY-LTQQYIGLSA-N 416.482 1.532 30 10 HDEE CCOCc1nnc(N2CCS[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696354988 HCHXFTQABTVSQJ-CMTMBAJVSA-N 406.512 1.283 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCc1ccco1 1698135819 BZSCHTMZWNWLBX-OAHLLOKOSA-N 416.482 1.651 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1705541571 MWUFZPMFINMSTA-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC1(N2CCOCC2)CC(OCC)C1 1705554177 NLHOODDXSQDCIV-UHFFFAOYSA-N 424.549 1.603 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1705567173 VJQPODZAQHNZTI-INIZCTEOSA-N 402.524 1.181 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCCC1 1705585810 LBBXQNGJZHDJTO-UHFFFAOYSA-N 416.485 1.847 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1705611138 RBDKHBFHBSGWER-UHFFFAOYSA-N 411.491 1.151 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1705629148 YHEFCFILEUUZLQ-ROUUACIJSA-N 414.510 1.269 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@]1(O)CCOC1 1705630501 VJFXFFNMTILRAI-QFIPXVFZSA-N 414.506 1.711 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc(COC)n2)CC1 1705639102 GFGUAMIXNCSZPI-MRXNPFEDSA-N 416.551 1.579 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(C)coc2C)CC1 1705647158 BPAYSMLNWUTCTF-UHFFFAOYSA-N 419.489 1.959 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)(C)C 1705664467 PXXKXSXMAIHVSG-UHFFFAOYSA-N 417.583 1.857 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2OC)CC1 1705899920 KWWVRELRQBODTB-UHFFFAOYSA-N 421.505 1.911 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1705924732 GBQXPUWRBKZGFO-HOTGVXAUSA-N 416.526 1.916 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccsc1 1705927772 FZSPJNKLTKOSGR-UHFFFAOYSA-N 411.553 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC 1705936773 YCWBRXASQOGOCJ-UHFFFAOYSA-N 419.555 1.509 30 10 HDEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1711566187 CVKMKAYANPWDOD-IAGOWNOFSA-N 407.540 1.735 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1712487824 YRDMHMUDTHLTPO-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722341312 DGNXIXPNJCBOAS-KXBFYZLASA-N 412.494 1.072 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)c2cccc(C)c2)CC1 1722442121 SUBZWJXTZHLCAV-UHFFFAOYSA-N 410.522 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCC2)CC1 1722447090 DMAMVJACDIKSJC-LJQANCHMSA-N 414.554 1.581 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729153811 LATXEVDJCZXMAS-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)F 1740542574 ADIHEEWLMYEWOD-GFCCVEGCSA-N 407.421 1.802 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC1(C(N)=O)CCOCC1 1740602720 RWJCLBDPOGPURJ-UHFFFAOYSA-N 419.432 1.898 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)CC 1740612799 IWUTXGZPOHIPPA-QHCPKHFHSA-N 410.566 1.873 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740626439 AYFFTPYWXYDKAV-QGZVFWFLSA-N 424.567 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1740629253 HFFGMTCWHAYFLF-KRWDZBQOSA-N 420.473 1.541 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CCC)OC 1740636452 ZLERVVUGIIIVRH-LJQANCHMSA-N 404.478 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCSC1 1740649251 PQNHEDVITXTVNC-NHCUHLMSSA-N 418.563 1.650 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(F)(F)F 1740680839 PFMZJYOBQBVWAJ-UHFFFAOYSA-N 416.425 1.997 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NCCC)CC1 1740700407 RSLUWJIAEJKHPP-UHFFFAOYSA-N 424.549 1.701 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740867278 DCUHTJUBTNTUFY-KRWDZBQOSA-N 417.558 1.965 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCN(CC)CC1 1740899017 CYZPZUCJGLQJHW-MSOLQXFVSA-N 424.615 1.076 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1740964247 MEANPQOVXWECAV-CQSZACIVSA-N 417.441 1.298 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1741726724 WJPNOOQSLFXHHK-IIBYNOLFSA-N 416.526 1.727 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCCCO1 1741921645 MMAMOMGYCRQFBN-GJZGRUSLSA-N 410.544 1.587 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1744084410 DOOMDGZLTITKCY-CYBMUJFWSA-N 413.482 1.376 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1747603182 FQTUVQMLRKKMKS-GOSISDBHSA-N 403.512 1.362 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1747767406 BNNSDZQWKCHFED-IBGZPJMESA-N 407.478 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1748672621 VSOUZKNAHBAHFR-KBPBESRZSA-N 423.926 1.766 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1 1748731389 BWCRZJKEQCOSRV-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCSC2)CC1 1749013998 BHRHUGZHOSHFNU-NVXWUHKLSA-N 403.552 1.501 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCCO)CC1 1749019650 CCHRIPPMVNQXQT-UHFFFAOYSA-N 405.568 1.869 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nncn2CC)CC1 1749342517 HOVCFNLIXISQCG-OAHLLOKOSA-N 405.528 1.242 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1749672558 YBDGCCYYJIVQHF-UHFFFAOYSA-N 415.469 1.700 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(C(=O)NCC)CCC2)C1 1749705562 JIILLZYYQLBPJQ-MRXNPFEDSA-N 411.510 1.823 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749751438 UQLURJRNFFVZOZ-UHFFFAOYSA-N 417.583 1.839 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO 1751089365 GDDFBJSHEUMIKO-SJORKVTESA-N 403.531 1.099 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCC[C@H]32)n1Cc1ccc(C#N)o1 1751221664 KTVZWVHZCGTSJK-WOSRLPQWSA-N 404.496 1.780 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1760169298 IZMBELIPSRCTQG-OAHLLOKOSA-N 403.508 1.447 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COC)C1 1760272680 RVBXKEJXRMBHSQ-HNNXBMFYSA-N 400.508 1.765 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCOC1 1760280029 LPWZWAFUUMLIFQ-CQSZACIVSA-N 403.508 1.845 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760328087 QELCBUNLVWQICV-YKTARERQSA-N 408.499 1.156 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC2(C1)OCCO2 1760500724 UXLBBCIWMDSFKL-INIZCTEOSA-N 407.515 1.598 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760524004 MSTPTVSEGULQJM-MJBXVCDLSA-N 417.432 1.630 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1760527583 BFYDIIBNPDMSMJ-INIZCTEOSA-N 420.558 1.496 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@](C)(O)C2CC2)C1 1760537806 QLAYBADZRSHHQY-JRGCBEDISA-N 406.527 1.873 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1760540964 SFJVJHJNTZFLEG-SFHVURJKSA-N 405.466 1.675 30 10 HDEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761313513 DQQVWIYGTVCSAC-DLBZAZTESA-N 401.515 1.221 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768812435 WLSVTXLXQQRMHM-XOMICKMZSA-N 422.489 1.944 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1772665869 XNPNMAMAKFJALH-ZNMIVQPWSA-N 417.528 1.053 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCN(C)C1=O 1848754179 WJNBMSOFZKRERO-KRWDZBQOSA-N 407.536 1.444 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)n1 1852020030 CNIPEBXCMFPKLC-UHFFFAOYSA-N 402.451 1.856 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCC(C#N)CC3)CC2)cc1 1852177278 NSZKHEWVSBEUFS-UHFFFAOYSA-N 418.563 1.748 30 10 HDEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852463186 PCGLEDOFFGWRCJ-FQEVSTJZSA-N 418.563 1.373 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1 1852494809 DJZHFLCEGIDQJQ-ZIAGYGMSSA-N 418.929 1.564 30 10 HDEE CS(=O)(=O)N1C[C@@H](C(=O)NCC2(C#N)CCOCC2)Oc2ccc(Cl)cc21 1853152445 RFTZFVCDUXPQRJ-HNNXBMFYSA-N 413.883 1.304 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1=O 1853828371 LHFWSYXHUZRTGF-ROUUACIJSA-N 415.490 1.554 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)C2=O)CC1 1854815131 QMUWDEWTBCEWGI-IBGZPJMESA-N 407.474 1.475 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1855034574 WPNATRPWMWNDPB-INIZCTEOSA-N 401.486 1.715 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCN(Cc3ccc(C#N)cc3)[C@H](C)C2=O)c(=O)n1 1855592798 JLSZEQIDEAWNMU-QGZVFWFLSA-N 407.474 1.381 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nc(-c2ccccn2)no1 1855931213 BZWVGXHYIKWIRM-CQSZACIVSA-N 402.414 1.876 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCN([C@@H](C)CCC#N)[C@H](C)C2=O)c1C 1856283361 ULNRFIYVYXTGJN-GOEBONIOSA-N 410.478 1.950 30 10 HDEE Cc1ccc(C)c(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856598186 YZUPZQBBZDEMKF-QGZVFWFLSA-N 405.476 1.830 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cc(-n4ccnc4)ccn3)C1)CC2 1857231791 HOQXHPSXFLIVMI-DLBZAZTESA-N 404.474 1.882 30 10 HDEE CCn1nccc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857471355 UVQDPJJWLLUULE-OAHLLOKOSA-N 408.462 1.312 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)c1 1866913929 RJSVQYNBENQSFJ-UXHICEINSA-N 410.449 1.778 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1993234609 CJENYGVWBUJTNB-KFWWJZLASA-N 424.498 1.328 30 10 HDEE C[C@]1(NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCN(C(=O)OCc2ccccc2)C1 2054408921 XACWMWUTLGEJOS-HKUYNNGSSA-N 406.508 1.858 30 10 HDEE C=CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2062444635 UUGQHIHBZMNBAO-RYUDHWBXSA-N 415.288 1.584 30 10 HDEE C#CCn1ncc(N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(Br)c1=O 2062445490 YQRBAOPBNMXWAI-NWDGAFQWSA-N 413.272 1.031 30 10 HDEE N#CC12COC(C[S@@](=O)CC[C@@H](NC(=O)OCc3ccccc3)C(=O)O)(C1)C2 2074700059 UOKUWPDMCTUPLE-QVPKFBPXSA-N 406.460 1.578 30 10 HDEE N#Cc1cccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1 2118170035 ZYZXCDSUMDYFIE-OALUTQOASA-N 415.471 1.920 30 10 HDEE CC1(C)OB(c2ccc(Cn3c(O)nnc(Br)c3=O)cc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c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247828226 MNLZTOQXIPHYJW-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247856294 HHTADLZTITYHRT-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CN(OCC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269038641 PMSVNGVIIVDVIP-UHFFFAOYSA-N 411.694 1.337 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC[C@@](C)(C#N)C1)NC(=O)OCc1ccccc1 2270502078 ZDIHIEBERYSEHC-LPHOPBHVSA-N 423.491 1.410 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@@H]4CC[C@H]43)cc2Cl)OC1(C)C 2282313654 NZFRQBZLSPGHSN-VXGBXAGGSA-N 418.777 1.826 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](O)C34CCC4)cc2Cl)OC1(C)C 2282323446 ZQGQPNRONYHBPD-NSHDSACASA-N 419.761 1.989 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282489481 DLGHSVKCGPJQBX-OLZOCXBDSA-N 401.359 1.856 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2CN(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282493973 YPIGJBRZLUYZNZ-UHFFFAOYSA-N 400.375 1.504 30 10 HDEE C[C@H]1SCCC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503330 YLWIFRTVLMEENV-YPMHNXCESA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CC3(COC3)C2)OC1(C)C 2282506867 YRSVQPVSYRTDSV-UHFFFAOYSA-N 400.331 1.041 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282535822 UENYJBILNLCIEL-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE C[C@H]1OCC[C@]1(O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639878 GJZUBUZDHJIVRU-QGHHPUGFSA-N 401.721 1.970 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCC[C@H]2N)OC1(C)C 2282842651 AYEUISCVYXJSSS-NEPJUHHUSA-N 401.363 1.132 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(O)CCSCC3)s2)OC1(C)C 2282850279 MZZZGVGKNPPDOG-UHFFFAOYSA-N 419.399 1.584 30 10 HDEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282850329 NPMPNZNJEFEPNL-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CCCN([C@H]1CCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851809 HKUIGZPMHPYQOP-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CCC[C@H](CN)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854747 VMOMDMKANNTSFQ-TZMCWYRMSA-N 400.375 1.938 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2282870058 LZZLADZGVLTQFA-VDBVYFBLSA-N 419.399 1.330 30 10 HDEE CSCCN(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284401243 GDRBGGKTQXLQTE-UHFFFAOYSA-N 421.371 1.486 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)NCCc2cccc(I)c2)C1 2289467622 NPZNEUUMJSAJPT-GFCCVEGCSA-N 405.261 1.514 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCC2(CC1)OCCO2 2362328845 QAFQBILTHBSZBQ-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2365198552 GRSKYSNYUYAJGR-ARFHVFGLSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCC[C@H](NC(=O)OC(C)(C)C)C1 2365207208 MDCODTUHYAWOGP-KHYOSLBOSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788510 AJALPINANYDLRW-KBPBESRZSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367791674 YRDBXPBZTVZFAN-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C 2367793888 XOCBRFFZHFQRLY-QWHCGFSZSA-N 414.553 1.143 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@](C)(COC)NC(=O)OC(C)(C)C 2367807756 WSSMZRQQUHDMDO-YJBOKZPZSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1cnn(C)c1I 2367809648 PCQIOYVXFRQAHM-NSHDSACASA-N 407.277 1.256 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCCS(=O)(=O)CC1 2368846376 HVIZUVCELVWQJB-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE CC1(C)C[C@@H](S(C)(=O)=O)CN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368850018 WJAGTDGRQHWZCV-GFCCVEGCSA-N 400.375 1.840 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC(Oc2ccc(-n3cnnn3)cc2)CC1 6746833 JLOUXZFAPVVJGL-UHFFFAOYSA-N 410.459 1.766 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCc2nnc(C(C)C)o2)n[nH]1 59888243 QNENKZQOUHDERZ-REZTVBANSA-N 405.488 1.855 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCN(C(C)C)CC3)cc2)CC1 65742284 CUQXEGQUQPUPGX-UHFFFAOYSA-N 413.566 1.277 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)CC1 70896815 QVOFCYQVEAQAQF-UHFFFAOYSA-N 407.430 1.653 30 10 HDEE Cn1nccc1[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 410288797 OAWLSMIGWCJYTA-SFHVURJKSA-N 401.492 1.979 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(Oc4cnccn4)CC3)C2=O)cc1 426366656 RWEHQTVDGVUUKK-LJQANCHMSA-N 420.473 1.702 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(-c3ccc(F)cc3F)nn2C)CC1 433403479 OGZNGXFBUTXXMH-UHFFFAOYSA-N 418.448 1.817 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@@](O)(C(F)(F)F)C2)c(C#N)cn1CCOC 481487249 BGKZYHRNWTUJQL-INIZCTEOSA-N 418.372 1.714 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)c1 487357226 ONBNNQTUIWZKCO-CMHOHELDSA-N 414.527 1.390 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 489835136 DOYDSFBGHUAHIB-PZJWPPBQSA-N 413.566 1.526 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 508890914 ZOVOHMSRUSVJID-QGZVFWFLSA-N 401.442 1.654 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 521568727 LXEQAIZBVUPYFB-NRFANRHFSA-N 402.454 1.992 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cnc2c1c(=O)n(C)c(=O)n2C 533611114 JXYWUHJYWCBHQE-CYBMUJFWSA-N 421.461 1.003 30 10 HDEE Cc1ccsc1[C@@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 537792750 RKZAQCVTTAHWLD-JKSUJKDBSA-N 412.471 1.983 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 549274332 MXZGPFHQLKUGBA-CABCVRRESA-N 410.540 1.924 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCCCO2)cc1 549662182 XWMIUOYRRWRTTE-UXHICEINSA-N 408.506 1.907 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)ccc1Cl 564094446 UMJFGRYIGMJNQJ-GFCCVEGCSA-N 417.940 1.694 30 10 HDEE C[C@@H](C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)n1cnc(C#N)n1 569993272 HWIOEFWZJNZDCB-FKIZINRSSA-N 407.434 1.252 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 572130280 FNQTVIQVYZLBHN-CYBMUJFWSA-N 412.541 1.280 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc(OC)c(OC)c(C(=O)O)c2)ccc1C#N 576473760 SUTRXARXXOXLHB-UHFFFAOYSA-N 406.416 1.761 30 10 HDEE N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nnc(Nc3ccccc3)s2)c1 583123905 MLYJOMDDSMRFHW-UHFFFAOYSA-N 413.484 2.243 30 10 HDEE CON[N+](=O)CC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1C 585088937 MLLONWXXZLOTSF-CQSZACIVSA-N 405.456 1.728 30 10 HDEE CCOC(=O)N1CCN(C(=O)N2CCC[C@@H](NC(=O)c3cccc(C#N)c3)C2)CC1 585981923 DYGJXNIHDHTQPS-GOSISDBHSA-N 413.478 1.647 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](C)C(=O)OCCC)nc1C 586302018 HDUGYKAQRUXBGA-KPHLJTLVSA-N 402.494 1.823 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CCOC(=O)c3ccc4c(c3)OCO4)CC2)c1 586384837 WFYITRXFIPOXLQ-UHFFFAOYSA-N 407.426 1.902 30 10 HDEE COCc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 613172526 HKVWXTDLZGIWSN-UHFFFAOYSA-N 400.460 1.246 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)NCC#Cc1ccc(C(F)(F)F)cc1 674436875 BSLXHHYTKZEGQZ-UHFFFAOYSA-N 403.426 1.734 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)CCN2CCCS2(=O)=O)cc1 674560824 ITNQYEYKDTYNCR-UHFFFAOYSA-N 420.535 2.000 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 729283755 LIMHCUUJUJXKNX-UHFFFAOYSA-N 419.489 1.427 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O)[C@@H]1CCS(=O)(=O)C1 729330947 ISDAVIFTKXTCAG-OAHLLOKOSA-N 402.472 1.345 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)cc2C1=O 729797025 UZTBDEUHNCNWCH-KRWDZBQOSA-N 419.393 1.438 30 10 HDEE Cc1ccccc1C1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1 732453557 GBDCFRBLKWKHLC-FMQUCBEESA-N 412.490 1.869 30 10 HDEE CCNC(=O)COc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732675078 WOFOXEWSBYJOAG-QGZVFWFLSA-N 415.494 1.092 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(OCc3nc(CC)no3)cc2)C1=O 741624572 FGYYWLAIGXVVMV-UHFFFAOYSA-N 414.374 1.093 30 10 HDEE COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746331259 HHFPHGQVJUODAQ-VHJGWARJSA-N 403.479 1.873 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@@H]1CCCO1 747079489 CCXLJOJZTVUKQZ-HNNXBMFYSA-N 403.410 1.717 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCNc2ncccc2C#N)CCCC1 749254434 NMCIVZXSZFTFBU-UHFFFAOYSA-N 409.494 1.575 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 750678909 SJISPPNDILMLPE-INIZCTEOSA-N 407.517 1.596 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 751009779 GOMIIJKDROTQFU-NRFANRHFSA-N 424.549 1.597 30 10 HDEE C#CCOc1ccccc1CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755338719 MPXXNMLIOQBFBU-KRWDZBQOSA-N 415.490 1.831 30 10 HDEE N#Cc1cccc(N2CCN(CN3CCN(c4ccccc4[N+](=O)[O-])C3=O)CC2)n1 760548001 CWIVRKXRKXBWDH-UHFFFAOYSA-N 407.434 1.883 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)nc(O)n2CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 765011610 JSGWPBYBOJKJAR-LBPRGKRZSA-N 415.393 1.567 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1Oc1ccccc1 776137367 FVJJZEWSADAEKM-PZQVLAAUSA-N 414.462 1.437 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780906475 OLBAZBFMBVOMPG-LJQANCHMSA-N 401.488 1.736 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 781832315 AYTNJQMTFNWOAY-FXBPSFAMSA-N 419.511 1.682 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCC2CS(=O)(=O)C2)C1=O 786682893 MANYCBQJVWFMHE-HNNXBMFYSA-N 423.560 1.806 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C 800117531 XEHMVMBWRNINDT-HUUCEWRRSA-N 404.533 1.328 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 800776115 ZLFQHJINEZVKMY-OAQYLSRUSA-N 412.494 1.853 30 10 HDEE COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)c1F 802806162 HYYMHNXYXLFBNZ-JTQLQIEISA-N 424.381 1.895 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2nc3cc(C(=O)OCC)ccc3n2CC)CC1 808716956 AHLSIECLEALDQH-UHFFFAOYSA-N 411.506 1.100 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 810985824 IIXPNLLUZCNZEI-ZDUSSCGKSA-N 400.522 1.595 30 10 HDEE C#CCN(c1nnc([C@@H]2Cc3ccccc3O2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812168543 RKQQMIIAHGGIKT-WMZOPIPTSA-N 416.503 1.227 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)[C@H](O)c1ccccc1 812849780 JFJCZSXENJQVMC-KKSFZXQISA-N 411.506 1.947 30 10 HDEE Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 818094032 XJTFGWVUFDUHBN-UYRXBGFRSA-N 418.436 1.734 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(NN=C(C)c3ccncc3)n2N)c1 1084303926 BMBVMPLAPHUGEQ-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE C[C@]1(c2cccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)NC(=O)NC1=O 1116860109 DFNLEOYUXXMHAO-VGOFRKELSA-N 401.426 1.612 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1 1130563025 FBHFBDAMXZQUOA-VJDPLVQDSA-N 401.532 1.995 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1 1136332067 WBBANKWCCWIJEM-LTGZKZEYSA-N 420.491 1.367 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)CC2(C#N)CCOCC2)c1 1137535146 XWILPVQFBYHZAN-UHFFFAOYSA-N 410.496 1.302 30 10 HDEE C=CCOC[C@H](NC(=O)CN(C)c1ccc(C(F)(F)F)cc1C=O)C(=O)OC 1139176057 QUHXWRHHVUFYPH-AWEZNQCLSA-N 402.369 1.815 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1141498301 QVMQTDJHXAZNIX-MRXNPFEDSA-N 411.549 1.892 30 10 HDEE N#CCCN(C(=O)[C@@H]1CC[C@H](CN2CCOCC2)O1)c1ccc2c(c1)OCCO2 1143799665 RAVXZJLXFOVBGU-MJGOQNOKSA-N 401.463 1.584 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1146197194 RLFXFGWCFLNEIU-GOSISDBHSA-N 422.570 1.322 30 10 HDEE CN1CCC(O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1147991756 QYHWLKZOPGYXED-LFDOHDQPSA-N 406.527 1.346 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(O)(c3ncnn3C)C2)cc1C 1153625206 HAQJMGGFBWNEMO-UHFFFAOYSA-N 405.462 1.553 30 10 HDEE C#Cc1ccc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(Cl)c1 1157893986 XCQHJCXCLFNDEZ-UHFFFAOYSA-N 419.890 1.940 30 10 HDEE Cn1cc(Br)c(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)n1 1158614694 OTGVXUWTCSRMPB-UHFFFAOYSA-N 411.281 1.285 30 10 HDEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCCN(O)C1=O 1159641128 DCAMVWMDNGJAHD-LSDHHAIUSA-N 421.498 1.874 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 1168858108 XFDVOEHDPSFFIV-UGSOOPFHSA-N 412.471 1.815 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2Cc3ccccc3N(C)C2)s1 1169437078 KUJKSZCPGCJMAD-OAHLLOKOSA-N 405.545 1.932 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)CC1CN(S(C)(=O)=O)C1 1190208603 OATFFWBVMWEDOF-UHFFFAOYSA-N 404.558 1.063 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN(Cc2ccccc2)[C@@]2(CO)CCOC2)nc1 1194278704 AGPPDECCVZBWEX-HXUWFJFHSA-N 401.488 1.381 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1194845438 DNVNPCIRNLFMMF-MRXNPFEDSA-N 400.522 1.585 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2nnc(O)n2C2CC2)cc1 1198250782 HXEURXGFMFHPDL-UHFFFAOYSA-N 406.468 1.447 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCOCC1 1227043992 UWQFWJGIIHEPFI-HNNXBMFYSA-N 417.890 1.485 30 10 HDEE C#Cc1cccc(CNC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c1 1230086831 PZTLQNBVDAFKIC-GNZRSQJKSA-N 404.488 1.366 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCCC1 1286278728 PZOASYLWYIDXMP-JKSUJKDBSA-N 412.556 1.817 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1286327640 JWJGJUJZNWEDAE-GOSISDBHSA-N 416.551 1.585 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C2CC2)N(C)C)CC1 1286484504 LNDSLKMRMPLBHN-HXUWFJFHSA-N 410.570 1.235 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286505937 ODZAIEVSHJYNRP-HOTGVXAUSA-N 421.592 1.888 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](CC)C1 1286783970 RRNZQNDKJRBERF-MRXNPFEDSA-N 413.478 1.634 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1286831392 ZTOJHRJNGLJHRA-LJQANCHMSA-N 418.523 1.627 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1286949669 MKCNFYPVVNSOFJ-UHFFFAOYSA-N 409.494 1.435 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1289909487 MNJAGFKDVVCJRJ-ZJYNUGOYSA-N 423.477 1.400 30 10 HDEE Cc1cscc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1290354451 BOGUMZWKIFIDMX-BLLLJJGKSA-N 412.516 1.749 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)s1 1290680856 CSICIMOCWLCOHT-GXTWGEPZSA-N 423.568 1.711 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1291188802 QWXQEIAWZAVMIH-CYBMUJFWSA-N 420.433 1.105 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC1CCN(CC#N)CC1 1293421138 XVGMAGILXFRJAX-GOSISDBHSA-N 423.558 1.394 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300495670 JGPCITNHDXKGLY-TXPKVOOTSA-N 410.540 1.307 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1300502668 VTUXHVRMLUSSNW-RBUKOAKNSA-N 418.563 1.983 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(CC)CC1 1300596276 OFPUFLKVJQOSDD-UHFFFAOYSA-N 401.559 1.001 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCCCC2)CC1 1300682676 IORKNFLSWKCYDJ-SFHVURJKSA-N 405.543 1.453 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1300762622 KPVWZFIXQBZNDI-SLTAFYQDSA-N 400.545 1.731 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(OCC(N)=O)CC1 1300766335 AAQFBEDQBBVLEY-UHFFFAOYSA-N 414.535 1.101 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1300892918 WJJJAVQBAVMROX-WWNBULGVSA-N 419.526 1.232 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301225393 DPVPYFCOTTVILX-IBGZPJMESA-N 423.521 1.997 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1301297690 SSZZQXMZFUQXBA-RHSMWYFYSA-N 415.585 1.519 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N(C)C)C1 1301545356 GHILWRVOIPUKKU-MRXNPFEDSA-N 415.494 1.832 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(C)s2)C1 1301568554 UYVGEGQTMBKAGS-ZOBUZTSGSA-N 420.539 1.992 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1303635479 GWDBGBVATISFAM-SOUVJXGZSA-N 423.477 1.872 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1=O 1304489703 GAYNLCDYUAHYHZ-ZIAGYGMSSA-N 401.536 1.419 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1305879935 BPZJRARSJHTCRX-FCHUYYIVSA-N 410.522 1.889 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1307646146 DOCYUHKYUFPTOI-DLBZAZTESA-N 406.527 1.705 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(F)cc(OC)c1 1316210552 PEXSXQVCFSQAFJ-RDTXWAMCSA-N 419.457 1.927 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1316536195 DMFHGMALUFENQC-KRWDZBQOSA-N 414.535 1.948 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 1323727610 BCOFGENBHHSRLU-OAHLLOKOSA-N 406.501 1.053 30 10 HDEE COc1ccccc1N=C1SCCN1C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1349118354 VWACNHYUHHACPY-UHFFFAOYSA-N 421.504 1.403 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1358964352 XRJWWAMMLTXFIH-ROUUACIJSA-N 424.567 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1358981595 QCMJVLBWVBJULG-PMACEKPBSA-N 410.566 1.841 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1359106688 NOGLWXNWMGIPEQ-FOIQADDNSA-N 400.483 1.868 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359226244 ANGCTBABEQMXSD-WMZOPIPTSA-N 413.526 1.624 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359272219 NNYZTEKPAQXDEM-MXLIYFDZSA-N 412.494 1.877 30 10 HDEE Cc1nc(-c2c(C)noc2C)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439608724 AKLPNURMZDCYQS-SJCJKPOMSA-N 406.489 1.734 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439617079 SIOMBJHUGPBKTK-ZBEGNZNMSA-N 424.276 1.096 30 10 HDEE COC(=O)CSCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1443562547 HDPRLWPBXJAPQI-UHFFFAOYSA-N 412.309 1.779 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3sccc3S(N)(=O)=O)CC2)c(Cl)c1 1448575974 ACHVHRLTSWGRKP-UHFFFAOYSA-N 410.908 1.883 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(S(N)(=O)=O)c(Br)c1 1448883438 NMTLSFCKVFAMOR-UHFFFAOYSA-N 404.330 1.676 30 10 HDEE CCS(=O)(=O)C1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1449492739 DOEMVQWTZLUFSX-SHYRYGCCSA-N 411.524 1.419 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)no2)cc1 1449785902 JCNAWWAHVKBZPT-UHFFFAOYSA-N 413.253 1.559 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CC3CC3)[C@@H](C(N)=O)C3CC3)C2=O)cc1 1454960709 NSPYLZGFFOCXAL-PKOBYXMFSA-N 423.473 1.266 30 10 HDEE COc1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)ccc1OCC(N)=O 1455002154 MFGJGORFVNXPRR-UHFFFAOYSA-N 405.414 1.928 30 10 HDEE Cc1ccc(C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)cc1S(=O)(=O)NCC#N 1455868614 UBMOSCYIKMKVNR-IBGZPJMESA-N 420.491 1.148 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCO[C@](C)(C#N)C3)cnn2c1 1456488779 UFXPISMHHLEEPD-HXUWFJFHSA-N 414.466 1.551 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNC(=O)c2cc(Cl)ccn2)CC1 1457977005 APGDQEBZIOCLJR-UHFFFAOYSA-N 401.829 1.824 30 10 HDEE N#CC[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 1460417174 KWKAVEZRCIEZMS-OAHLLOKOSA-N 403.508 1.721 30 10 HDEE C[C@]1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1461731449 VBEYPHIBGYXFBV-HXUWFJFHSA-N 419.503 1.621 30 10 HDEE Cc1ccc(C)n1-c1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1463163113 KNUDJRJBBNJTDC-KBXCAEBGSA-N 404.517 1.490 30 10 HDEE CN(C)CCn1nccc1C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1464744190 HLZJGNQHPNNAEU-UHFFFAOYSA-N 403.490 1.827 30 10 HDEE CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C)CS(C)(=O)=O 1465146312 JTXHKOCWFZCNFL-HNNXBMFYSA-N 400.541 1.919 30 10 HDEE C#CC1(O)CN(C(=O)Nc2sc3c(c2C(=O)N2CCOCC2)CCC(C)(C)C3)C1 1465853513 GYFZTPBSHGNIDX-UHFFFAOYSA-N 417.531 1.947 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 1468404172 AVDZVOOLIWQLLY-UHFFFAOYSA-N 408.423 1.327 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@@H](CO)OC(C)(C)C3)C2)C1 1469188644 QSTBOFFUWPNGQO-WZHMAMEKSA-N 407.511 1.772 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCO)c2ccccc2F)cc1 1469369695 PAZDTFOUPWBQMO-GOSISDBHSA-N 405.451 1.871 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1469672557 LQCYBELBTAYDGZ-SFHVURJKSA-N 402.495 1.971 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n1 1470034023 VPBZSEFEMYEQEA-QUCCMNQESA-N 406.490 1.982 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CC[C@](C)(C#N)C1)n2C 1470396281 XOLGKGKQDIHZKA-LJQANCHMSA-N 403.508 1.518 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](Cc2nc(C)cs2)C1)c1cc[nH]n1 1471916419 HHNTWFCXPOOBAM-AWEZNQCLSA-N 419.507 1.940 30 10 HDEE C[C@H](Cc1cccnc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1479552856 CSIAKONVGZTCPZ-MRXNPFEDSA-N 413.503 1.600 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]1C1CCC1 1490809256 LXIDZPHRQJZKFS-ILOCAZANSA-N 402.539 1.935 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1493171613 WNYMEMMCJBRLPM-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE C[C@@H]1COCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1494578640 OASZQYSWCZIUFJ-RMYFCYLKSA-N 400.483 1.687 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1503614378 GYBINQILVFSVJF-IBGZPJMESA-N 407.478 1.955 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507628816 ILPRKJMLQHSVQW-IAGOWNOFSA-N 415.519 1.393 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1507686052 ZYYXTRQCGJYTAE-UHFFFAOYSA-N 421.465 1.223 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C)cc2C)CC1 1507715399 ABNGMVILJCDXPE-UHFFFAOYSA-N 406.534 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)(C)C)CC1 1507737669 BTONBOVFUIZDDX-UHFFFAOYSA-N 414.554 1.816 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507847468 NOOZSYQITVDHSF-FQEVSTJZSA-N 418.498 1.024 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1507953183 DLWQBPKGKUKQNF-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1508123702 JKLYSQVUINKJIF-MRXNPFEDSA-N 405.524 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccco1 1508129845 DGBKKCNXODMFQZ-UHFFFAOYSA-N 407.496 1.344 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CC(F)(F)CO1 1510154916 XHWFBGXUZNDXSF-SRVKXCTJSA-N 406.459 1.051 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCCn1cc(CO)nn1 1517124085 GFWGXMIOSFUAEE-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)cc1 1521096021 UYIHUQRBPDRHTI-HNNXBMFYSA-N 407.446 1.810 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C[C@H]1C 1525820091 ZEQJPLOIPYJWBE-ZTEDVXDMSA-N 423.491 1.405 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)cc(OC)c1OC 1537837826 FGYSAFSWUAFUBL-YOEHRIQHSA-N 419.478 1.667 30 10 HDEE COc1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1OC 1538450293 CKRHEVLSVTUTGR-UHFFFAOYSA-N 403.460 1.367 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC([C@H]4COC(=O)N4)CC3)CC2=O)cc1Cl 1539027417 SJSSOIQUKUVPGT-RHSMWYFYSA-N 416.865 1.912 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc2n1CCCCC2 1539153921 KQFBBVSCPWYNDQ-OAQYLSRUSA-N 413.526 1.754 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1539267051 VYAKMGHFQSSTFA-GOSISDBHSA-N 410.474 1.283 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1539382346 DEDNZXPMELQJEC-UHFFFAOYSA-N 421.498 1.491 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1539409019 LTKCORSOSZUYSQ-QGZVFWFLSA-N 422.493 1.222 30 10 HDEE Cn1ccnc1C(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1nccn1C 1539571956 NNSINXJOKQPYCO-CQSZACIVSA-N 415.498 1.946 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1540069654 SZAVCOIGWCMDBI-UHFFFAOYSA-N 402.480 1.651 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccco2)nnc1[C@]1(OC(C)C)CCOC1 1540876721 YYNSRVAIZXLRKV-FQEVSTJZSA-N 403.483 1.850 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1542973705 WRQJASJOSUFRJA-QGZVFWFLSA-N 415.943 1.136 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1542994939 BXAKMYWEGVCKRF-SFHVURJKSA-N 418.505 1.917 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@@H]1C(=O)N[C@@H]1CCCN(O)C1=O 1556782296 CHZFLPXGXIKUHH-GDBMZVCRSA-N 405.451 1.854 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 1558438502 VVIAUUCRLRWNIO-RANZSIQMSA-N 401.463 1.393 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1C1CCOCC1 1558724984 RFBVCNRXNWOIEN-ZDUSSCGKSA-N 403.464 1.412 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O 1559717619 SLJAGCRBFAUKTJ-UHFFFAOYSA-N 401.422 1.514 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCN2CCN(c3ccc(C#N)nc3)CC2)CC1 1560122548 AEKCXXJHGDORQU-UHFFFAOYSA-N 400.527 1.628 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCc2nnc(S)n2CC)cc1 1562197221 GIQGLQHJUCGHRU-UHFFFAOYSA-N 424.552 1.757 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)C#CC4CC4)CC[C@@H]32)CC1 1570326296 DUCRBLSYWIXACD-MSOLQXFVSA-N 416.522 1.794 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)CCCN1C(=O)OC(C)(C)C 1587267324 PMKFNWNLFBHMHY-PWHSHALESA-N 420.598 1.977 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1587651016 GZTFJOYYNDJYFE-QGZVFWFLSA-N 424.530 1.700 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1587922314 YSOBSUVKELJJPS-NRFANRHFSA-N 404.559 1.026 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCCC 1587990584 YUSMYILRRKSFMI-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1588059008 HHLPOKDQKLDRKE-HNNXBMFYSA-N 405.524 1.838 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1588459288 RDLPOXFKVCGYKC-OKZBNKHCSA-N 415.517 1.935 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589069357 KDZGTJDVEGFTNE-HOTGVXAUSA-N 404.540 1.095 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(C)=O)CC1 1589530644 XQPXCVLTJLNNJG-QFBILLFUSA-N 413.526 1.765 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593696317 NIPNXZSTSQKSDJ-CVEARBPZSA-N 416.530 1.916 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2cncn2)nc1 1595296374 DJITTWXQRMSBGO-KRWDZBQOSA-N 410.482 1.445 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCCCC2)CC1 1595529804 IGSGUOQVFBMCME-UHFFFAOYSA-N 412.542 1.436 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1595536659 DLPCYUUBHQMAOS-MRXNPFEDSA-N 402.543 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1595824044 VVSQNFPWLQZMCT-UHFFFAOYSA-N 420.539 1.131 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN2CCOC[C@]2(CO)C1 1597553696 BYXQHAKWLUSZBX-GOSISDBHSA-N 400.397 1.789 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(O)cc2)CCOC1 1610903783 OUAUDMQFUROJET-WIYYLYMNSA-N 413.478 1.801 30 10 HDEE C[C@H]1CN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1610963014 IORSENVYVGUNLR-CLIJALBYSA-N 406.527 1.610 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1611531620 FTZNZGOMUDEVDF-UHFFFAOYSA-N 416.478 1.124 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)o1 1612031283 ICYLXLZXKODQKL-RDTXWAMCSA-N 422.486 1.570 30 10 HDEE C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@H]12 1616175308 UNHCGMLYZQDOFR-CAEXGNQWSA-N 413.421 1.258 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 1616604154 MIJBGILDNKIKJP-UHFFFAOYSA-N 414.491 1.079 30 10 HDEE C#Cc1ccc(NC(=O)CCN[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cc1 1617668179 OPUQVSOEVZHGCC-JOCHJYFZSA-N 422.533 1.807 30 10 HDEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619823424 CEPQLEHTPULUEO-QGZVFWFLSA-N 401.515 1.004 30 10 HDEE N#C[C@@]12CN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@H]1CS(=O)(=O)C2 1620611637 ZZEWSDCGLAWNNW-NUTKFTJISA-N 413.421 1.681 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(F)cc(Br)c2F)CC1 1623499265 VTHPNXLIRLHFFE-UHFFFAOYSA-N 400.223 1.235 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1624339670 YPRADLCAWLPUMA-KGLIPLIRSA-N 400.522 1.214 30 10 HDEE C#CCN(C(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1626435238 UXOUCGZHIWFVSY-MRXNPFEDSA-N 417.535 1.953 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CCCCC1 1626676196 QTQGRVNEZQIYDX-UHFFFAOYSA-N 403.504 1.263 30 10 HDEE COC(=O)CCCOc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1627583503 DFBACLOBMOODGR-VXPUYCOJSA-N 401.419 1.874 30 10 HDEE COc1cc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)ccc1C#N 1629539948 KYTIHVNUAWGSLH-FQEVSTJZSA-N 405.451 1.295 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1630966749 UELGRYUMSHQRDA-IBGZPJMESA-N 404.492 1.163 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)c1 1633771659 QZUKJFUEPZMFRW-KRWDZBQOSA-N 401.419 1.348 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1634543167 JJTABFPCDBNEKR-CVEARBPZSA-N 412.531 1.783 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c3ccncc3)cc2C1=O 1634770097 GLLILDVMBFTRAU-MSOLQXFVSA-N 423.425 1.259 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]12CCCN(CC1)C2 1636245365 PWUVYRQLTYFHFD-UZLBHIALSA-N 404.536 1.494 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n1 1636278035 DSKVSYPNHBZSJR-CYBMUJFWSA-N 406.439 1.909 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@@H](CNC(=O)NC)C1)c1ccc(Br)cc1 1636562296 JREBIOWAJHERAZ-GJZGRUSLSA-N 409.284 1.463 30 10 HDEE CO[C@@H]1COC[C@@H]1NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1637535865 UIIWMQJCCFBYKQ-KSZLIROESA-N 401.463 1.923 30 10 HDEE COC(=O)N1CC(NC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1639004665 OZRASWFLCISFIE-KRWDZBQOSA-N 414.462 1.959 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639050536 WSBAOODAVYXBTP-UHFFFAOYSA-N 417.443 1.112 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1639625207 BXFIEBYPECCOMM-HNNXBMFYSA-N 403.464 1.009 30 10 HDEE Cc1c(C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cnn1CCC#N 1640156251 PSSFPBSFMDODTP-ZDUSSCGKSA-N 403.240 1.556 30 10 HDEE N#CCCn1cc(C(=O)NCCN2CCNC2=S)c(-c2ccc([N+](=O)[O-])cc2)n1 1641032202 BYTYNVCNXCYYRE-UHFFFAOYSA-N 413.463 1.292 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1642430367 LKNQWVGNIVDZFQ-RBUKOAKNSA-N 401.507 1.872 30 10 HDEE Cc1ccc2c(c1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cc1)S2(=O)=O 1644140964 XFTVZTYBCVAHRF-UHFFFAOYSA-N 405.457 1.877 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1653661811 BTOHJKXUJTWFGS-QZTJIDSGSA-N 402.495 1.871 30 10 HDEE C[C@]1(C2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)COC(=O)N1 1654813283 ZCHHHXVGYGCKCE-OAQYLSRUSA-N 408.462 1.893 30 10 HDEE C#CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1659142666 QHENHIQUBDTBOJ-IRXDYDNUSA-N 419.547 1.768 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1660909200 CBAJQUHMNHVNRX-CYBMUJFWSA-N 400.439 1.567 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1663429301 SAHYLGDWEXOVLS-CVEARBPZSA-N 406.501 1.988 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CC(F)(F)F)CC1 1668620939 ODWAGMABZDZXID-UHFFFAOYSA-N 404.414 1.409 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCCOC1 1671495218 NSKBSCOIRXBWPJ-AVYPCKFXSA-N 424.498 1.405 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N[C@H](C)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1676787976 BCOCTKPGQXYWLT-CRAIPNDOSA-N 405.520 1.547 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1684425034 JGKOCADFVJWTAU-LJQANCHMSA-N 400.523 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1686403090 OJNCBPHMRCNSQM-HZPDHXFCSA-N 407.515 1.695 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1689893145 VMLCGESHYUVHHI-GOSISDBHSA-N 400.527 1.923 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCNS(C)(=O)=O 1690010052 UOSAHLWYHDAMSM-UHFFFAOYSA-N 408.487 1.115 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccsc1 1690052912 ULQCBYTWSDRCTB-NRFANRHFSA-N 411.531 1.833 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CCOCC2)CC1 1690110241 DIZLPWIXNTXRME-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(CO)c2)CC1 1690110491 OGVIVNUIAIFNAZ-UHFFFAOYSA-N 424.549 1.492 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N(C)C)CC1 1690141708 ANNOTYSJDAFTQE-KRWDZBQOSA-N 424.549 1.870 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690157918 SFZBKXDHMQMGDH-SOUVJXGZSA-N 410.496 1.483 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1690169995 VOJZDPDMSVYSSU-MRXNPFEDSA-N 402.524 1.732 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1690260745 WGBRSMFHQGMUDT-HXUWFJFHSA-N 420.535 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC(C)(OC)C1 1690717904 UZALJTZIJFKCRV-UHFFFAOYSA-N 406.508 1.780 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1693744811 FNANDYUVPIADLT-AWEZNQCLSA-N 401.430 1.997 30 10 HDEE CCN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1695562730 WQYXEUDFLFAPGL-FMQUCBEESA-N 407.478 1.779 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCCN(C(C)=O)C2)CCOC1 1696030608 GVDPRAYJMMIIHN-HGHGUNKESA-N 418.542 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1705495244 MYCAQIMDQZPLPH-CRAIPNDOSA-N 411.462 1.107 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1705495797 VNKIMVKHVJMSOL-GJZGRUSLSA-N 423.564 1.487 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCN2CCCC2)CC1 1705636220 BQRFJMPQVJHESO-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1705650514 SWWMSHBYKLZITD-KRWDZBQOSA-N 416.570 1.747 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1705657278 ZGKWHYHWOQWDCJ-UHFFFAOYSA-N 415.519 1.655 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705830482 QUMIBIRBHPYJII-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705898999 FKTYQASHAIMFTI-PKOBYXMFSA-N 410.522 1.404 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1705907395 LKRGHLSJVZKLOZ-LJQANCHMSA-N 424.549 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCSC2)C1 1705936000 HPEZIORGZOGBSR-CRAIPNDOSA-N 412.581 1.716 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC[C@H](C)C1 1707911259 FPGDFLDFMOICIL-DLBZAZTESA-N 409.542 1.695 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCN1CCCO 1709142283 WOAWZJBQUACRJL-LJQANCHMSA-N 424.553 1.281 30 10 HDEE CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1709944785 OKCILUNPEXKOEX-AWEZNQCLSA-N 412.475 1.866 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2COCCO2)cc1OC 1711731933 AVYNRWUUMNHVJF-ZBFHGGJFSA-N 401.467 1.974 30 10 HDEE COCCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1712603753 ZEJXMSCYJAQDLO-SFHVURJKSA-N 413.478 1.495 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722362582 VACZYZPMEXGKJZ-OXQOHEQNSA-N 415.519 1.536 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1722381107 HTPCQHSAALOVQH-HXUWFJFHSA-N 420.517 1.291 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1722425620 GGPVKKIRESUHRJ-NRFANRHFSA-N 414.579 1.787 30 10 HDEE C=CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722622131 GCEDHSMVUJQLJV-QINHECLXSA-N 408.499 1.257 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C(C)(C)C1 1722698585 IEJPQIPIZUOQHH-GJZGRUSLSA-N 409.556 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N(C)CC)C1 1722710771 OGRRVGZWXIXBRY-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccc(F)c1 1729317994 GXKBOYPEBPBUPT-PKOBYXMFSA-N 422.468 1.906 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1730761851 JGTOLVVUMWPJCN-IBGZPJMESA-N 410.478 1.989 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1730874280 INLGMURKSOZBHD-FCGDIQPGSA-N 420.558 1.851 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1730954906 YVQNXUOYIRJEDK-YJBOKZPZSA-N 414.466 1.184 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1740617946 ZFGIGTWZTRWPOW-MSOLQXFVSA-N 421.567 1.287 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740714957 PDNKDQKGBAZJEE-UHFFFAOYSA-N 412.498 1.895 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1740729018 WSNXPIBTIYBITE-DNVCBOLYSA-N 402.524 1.689 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740738825 MFLRZUXQBAHIQD-TZMCWYRMSA-N 400.321 1.863 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740874074 MKFZYFYZIMIYBL-QZTJIDSGSA-N 402.543 1.744 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1747619315 VBACZUBTVPZJGX-SFHVURJKSA-N 417.535 1.993 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cc[nH]n1 1747706496 FPUFCNKVIVXXDV-GOSISDBHSA-N 420.477 1.791 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCOCC1 1748638300 MJHZHWIGMYJOHJ-INIZCTEOSA-N 404.559 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1748679363 BMDJDCHRQXGGRY-LJQANCHMSA-N 424.549 1.522 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1748766360 NYWVOHLGOTXHMT-RDJZCZTQSA-N 404.540 1.261 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1748931422 XTMZGXIQKOEABM-QGZVFWFLSA-N 405.506 1.891 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1749368240 FWDDFZFSEBLURQ-INIZCTEOSA-N 409.556 1.980 30 10 HDEE COCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1749430747 COKHXGHNIPMGHQ-HUUCEWRRSA-N 420.539 1.679 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1749485749 YYKOGWAFWLRRDZ-UHFFFAOYSA-N 409.494 1.823 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ncn(-c2ccccc2)n1 1749595830 KPCXSZSDWLNMHM-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1749605858 FGZMLOBYYBTOAY-VLIAUNLRSA-N 400.483 1.304 30 10 HDEE COCCN1C[C@H](Cn2c(CC3CC3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1749864603 CLDMSFUBEDNMFU-DYESRHJHSA-N 400.527 1.856 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750535137 MDGRLWIKUUFNIC-HOTGVXAUSA-N 413.434 1.614 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1cnn(C)c1C 1757798514 XXAQXGIWIWXBRW-IYWGDAJJSA-N 400.523 1.890 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760137736 XEWVZMHPXRTNDJ-MRXNPFEDSA-N 410.478 1.588 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2F)CC1 1760163231 PNRVZORIKABZSN-CYBMUJFWSA-N 423.489 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760207450 JXVRWGMMVKOAPT-SFHVURJKSA-N 420.473 1.227 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760346032 DZLKGHDJUWHELY-MRXNPFEDSA-N 421.567 1.738 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760365646 DPTFKIKKPFFZMW-UONOGXRCSA-N 415.885 1.735 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1760451207 BYDRJRXELFAYSP-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCOCC1 1760514640 CHDPBNOFVYEIFB-UHFFFAOYSA-N 406.284 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)on1 1760547322 ILUNJEQOYIKOQO-UHFFFAOYSA-N 422.511 1.048 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](COC)C1 1760557650 SKTZBIXAVLJHRM-KRWDZBQOSA-N 422.555 1.213 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760677018 GWLPAMIGUOTKAO-HXUWFJFHSA-N 418.505 1.520 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1761939756 OOQNQTNVHPPNQB-KRWDZBQOSA-N 422.493 1.767 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1763141659 GGRNLRNVLDMECM-MSOLQXFVSA-N 410.478 1.735 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1764913803 IZXCLXJTHOIXCH-INIZCTEOSA-N 422.493 1.027 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccoc1 1767942564 HRRUDXQHOXVJHG-OAHLLOKOSA-N 408.466 1.833 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1769994521 KFBUXSMTTBOIHE-GPMSIDNRSA-N 410.494 1.165 30 10 HDEE COCCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1771254117 GCBWYOUXTKBBFG-NVXWUHKLSA-N 401.467 1.927 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CCN(C)CC1 1771410824 DOULHLRRNKCZSK-HUUCEWRRSA-N 405.572 1.795 30 10 HDEE COc1ccc(CCNC(=O)N[C@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772790948 WBYYATJSJCOFSM-CYBMUJFWSA-N 411.414 1.680 30 10 HDEE CC(=O)NCCc1ccc(OCC(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)cc1 1851793290 IAOSMFOMKYOPMO-LJQANCHMSA-N 410.430 1.374 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccccc4F)n3[nH]2)CC1=O 1852330233 CQPKUGBFOHOTPA-KGLIPLIRSA-N 424.436 1.798 30 10 HDEE CCCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852461939 MVWBHTNISXLWBX-MRXNPFEDSA-N 408.462 1.994 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)Nc1c(C#N)cnn1-c1cccc(Cl)n1)CC2 1852615972 QIIKRCBYJODVHB-LLVKDONJSA-N 409.837 1.630 30 10 HDEE N#C[C@@H](c1ccccc1)c1cccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)n1 1853050238 ORXKMULXMMQMIR-SFHVURJKSA-N 410.499 1.987 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C2)CC1 1853680646 LLLRWAHOXJIIHU-PKOBYXMFSA-N 412.490 1.864 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854179334 PSHOCHWEEIGFRP-UXHICEINSA-N 406.486 1.937 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4F)CC3=O)cc2n1 1854260533 ZQGFLWMTCVYNLC-UHFFFAOYSA-N 406.421 1.842 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642877 ZRXTWMOHTFYRKA-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE CN(CC(=O)N1CCC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O)C(=O)OC(C)(C)C 1855022720 HAYLLPXVZOETCN-JKSUJKDBSA-N 404.511 1.997 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCCN([C@@H]4CCOC4)CC3)CCC2=O)ccn1 1855321139 KWISQNUMUPWEOP-YLJYHZDGSA-N 411.506 1.129 30 10 HDEE Cn1nnc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c1C(F)F 1855571217 SVEUNUMMKXXBOO-QWHCGFSZSA-N 406.437 1.900 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1855604215 GNJOIVRNBWAQSV-HNNXBMFYSA-N 407.467 1.824 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855698794 WTNCRYNVPUTPAR-UONOGXRCSA-N 414.453 1.852 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C[C@@H]1CCCCO1 1855954596 XZDNQGSTQBZWNT-HNNXBMFYSA-N 405.476 1.596 30 10 HDEE C[C@@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCC2)C1=O 1856266266 GRLNVWVYHWADOB-GDBMZVCRSA-N 401.488 1.887 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1856283151 RCODFVGPPJZJTO-HUUCEWRRSA-N 409.483 1.741 30 10 HDEE CC(C)CS(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCC2 1856442400 WUKWIFLCDSSYEK-UHFFFAOYSA-N 404.492 1.536 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCN(c3ncc(F)cn3)C(=O)C2)CC1=O 1856784631 MUZVEFOKZOSLQB-CABCVRRESA-N 403.458 1.242 30 10 HDEE CCOc1cc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)ccn1 1857109919 HWRMRCSEYUPYEY-QGZVFWFLSA-N 407.430 1.251 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3nccnc3c2)C1)[C@H]1CCN(C)C1=O 1857298663 FFCCVGYJVVUZFD-KXBFYZLASA-N 407.474 1.337 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858298154 GRJYEKPWVBVJMQ-HUUCEWRRSA-N 408.380 1.442 30 10 HDEE CCN1CCN(C(=O)[C@@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783258 PXCMJLMFUNXWMP-AEFFLSMTSA-N 417.579 1.694 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCC)cn1CCNC(C)=O 1870518147 KBZSJTCNPXRMCB-UHFFFAOYSA-N 418.538 1.454 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871512001 WMFTVMALEUEYLR-UHFFFAOYSA-N 403.918 1.133 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCC(O)CC2)n1 1871657908 WVESLIYTZSPVPT-UHFFFAOYSA-N 424.553 1.348 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCO)CCO)n2CCCOC 1873558952 LRYBMDKAVMIIKH-UHFFFAOYSA-N 417.510 1.073 30 10 HDEE COc1ccc(OCC(=O)N2CCC(COc3nccnc3C#N)CC2)c(OC)n1 1891527984 ARKHIOJBUXERGQ-UHFFFAOYSA-N 413.434 1.457 30 10 HDEE C#CCOCCONC(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1984759191 DOVWFXGDXHIZGA-QFIPXVFZSA-N 417.506 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCB3OC(C)(C)C(C)(C)O3)=NO2)C1 1985102594 JCOWURRRWJACOW-LJQANCHMSA-N 409.292 1.890 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985102995 OQHWMLPXHUKLMC-OLZOCXBDSA-N 404.276 1.628 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010394378 CEYGFAPCECJQEK-TUVASFSCSA-N 422.331 1.907 30 10 HDEE C=CCn1ncc(NC[C@@](C)(CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2060809323 IDDUPPHGJZUNLI-INIZCTEOSA-N 417.304 1.879 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2118162274 IFJRXNFKNSVLHC-VDBVYFBLSA-N 400.482 1.407 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCOC1 2174782354 PNPCBJWGQZHHKU-LSDHHAIUSA-N 401.529 1.822 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@](F)(CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180117975 QRPNDVNOEWEWGZ-LBTNJELSSA-N 402.488 1.278 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CS)C(=O)O)[C@@H]2CCCO[C@@H]2C1(C)C 2180248514 RHELZUDYPRJCMV-PAUBSPINSA-N 402.513 1.584 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ccc(S(N)(=O)=O)s1 2181129691 JDPMKPRFJKJLSU-LBPRGKRZSA-N 416.525 1.599 30 10 HDEE CO[C@H](C)CCS(=O)(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186626679 DLYQTVZICSEHDJ-VXGBXAGGSA-N 404.363 1.848 30 10 HDEE CC1(C)OB(c2ccsc2CNC(=O)N[C@@H]2CCS(=O)(=O)C2)OC1(C)C 2197935330 OSOLGKGEMKMCRL-LLVKDONJSA-N 400.331 1.034 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CC2(Br)Br)C1 2218015142 OQGXXUGGNRULEZ-IUCAKERBSA-N 401.124 1.562 30 10 HDEE CCN[C@H](C#CP(C)(C)=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388064 GIKNBESHQNMEND-HUUCEWRRSA-N 406.485 1.972 30 10 HDEE CC1(C)OB(c2ccc(CN3CCC(NS(C)(=O)=O)CC3)s2)OC1(C)C 2235427568 QBILCPNXWNNNEL-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2243371053 XCJVQZZZAXOAFT-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(N)=O)C1 2247286192 WIOXCGCWTFRNED-UHFFFAOYSA-N 418.303 1.268 30 10 HDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247837316 QCQVKPQEFUAALH-UHFFFAOYSA-N 424.303 1.850 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)s2)OC1(C)C 2255941342 HRJURAZTLMFBKT-GFCCVEGCSA-N 415.342 1.621 30 10 HDEE CC1(CCNS(=O)(=O)Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)OCCO1 2267412669 PXZOVYWCCCXSLP-UHFFFAOYSA-N 411.329 1.558 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469547 XHHLNCOQJAATEI-OAHLLOKOSA-N 407.388 1.440 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC(C)(C#N)CC1)NC(=O)OCc1ccccc1 2270532305 WEOPCKDTQGHPPK-MRXNPFEDSA-N 423.491 1.410 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](C)CN1C 2282329931 STAIMYFFLQLHJE-STQMWFEESA-N 400.375 1.760 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CCCN2)c1B1OC(C)(C)C(C)(C)O1 2282502126 GYTOQFYFJFYOHM-CYBMUJFWSA-N 400.375 1.694 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282510908 GKCUXWQEGDARLT-UOXLDJKESA-N 421.415 1.624 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CCNC3=O)cc2Cl)OC1(C)C 2282834707 MPXJGUFHXPIIHN-SECBINFHSA-N 420.749 1.115 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOC(F)(F)F)OC1(C)C 2282841509 VNBUUJUBYCCKCJ-UHFFFAOYSA-N 416.252 1.398 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(F)(F)C[C@@H]3CO)c2)OC1(C)C 2282851669 FLIVNVYFDZUESA-LLVKDONJSA-N 409.285 1.438 30 10 HDEE C[C@@H](CCCC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395263 JPVJBMNBWDFAKX-NSHDSACASA-N 403.331 1.969 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(C(=O)O)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2284405726 OUZFNMSQNUCXEI-QFYYESIMSA-N 401.315 1.497 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300276791 QGXQDEFYSWFTIW-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CCOc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc(Cl)c1OC 2323028617 DIDNGUAEGRNASN-UHFFFAOYSA-N 412.855 1.887 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2342032107 IQRIJCPHSFAROS-ZIAGYGMSSA-N 400.522 1.520 30 10 HDEE COC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2361733943 QSDIBDHUYNGWAS-LLVKDONJSA-N 415.264 1.903 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](CNC(=O)OC(C)(C)C)(CO1)C2 2365209089 UPDPHHACANDMAT-ZMYBRWDISA-N 400.541 1.475 30 10 HDEE CN(C[C@@](O)([C@H](N)C#CC1(S(C)(=O)=O)CC1)C(C)(C)C)C(=O)OC(C)(C)C 2367818957 NUXHNGWIMFAEKV-AUUYWEPGSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367826613 ABDMMJQDAXXWLD-JKSUJKDBSA-N 400.541 1.292 30 10 HDEE CC1(C)OB(c2csc(CO[C@@H]3CCCN(S(C)(=O)=O)C3)n2)OC1(C)C 2368900717 AQIJYVPNOVQHPJ-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE N#C[C@H]1CN(C2(C(=O)O)CCC(NC(=O)OCc3ccccc3)CC2)[C@H]2CCN1C2 2371317954 IBNLVLACIFTSRO-DBAFAGGRSA-N 412.490 1.961 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@@H]2C1 2377813215 SNDZZZGJROIZNK-ZSBFGKGUSA-N 402.513 1.325 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 54016719 XVEWRQOLZPSNIY-MRXNPFEDSA-N 414.491 1.067 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C(=O)C1=O 64835484 NGSWGNZMGHCYRQ-UHFFFAOYSA-N 405.520 1.313 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)CC1 105474919 YUUPEVDWMWWKQP-UHFFFAOYSA-N 411.487 1.456 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2noc(Cc3ccccc3)n2)CC1 431606340 CZCFYBRFRNZKID-INIZCTEOSA-N 412.494 1.351 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)CC1 460860568 RMQGACBSJMTULX-OTWHNJEPSA-N 412.538 1.061 30 10 HDEE CCc1cnc(N2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)s1 461406155 VSEVLICQERAPLN-UHFFFAOYSA-N 418.544 1.841 30 10 HDEE Cc1noc(C2CCC(NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2)n1 465283848 HSCOYPOXLNPWOP-JEYLPNPQSA-N 410.482 1.986 30 10 HDEE COc1cc(S(N)(=O)=O)ccc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 477407275 SAJOZXBPDIGYLU-UHFFFAOYSA-N 401.853 1.668 30 10 HDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 477593118 SBXBQRZJEWGRFR-KRWDZBQOSA-N 405.520 1.930 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 488954634 MKYOYVJZPOTPEZ-CQSZACIVSA-N 415.519 1.738 30 10 HDEE CC(C)(C)NC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cccc(C#N)c2)c1=O 502457178 QVXSDNWPSRKBJL-UHFFFAOYSA-N 409.511 1.285 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC1 505018692 NDRXFESTIHENAG-UHFFFAOYSA-N 420.535 1.995 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccn2)c1=O 523306077 JASMYGBDQCVBFR-UHFFFAOYSA-N 411.483 1.130 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)C1=O 523313724 QBTFWSDWARPVLC-UHFFFAOYSA-N 400.416 1.734 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc(C)cc2C(=O)OCC)CC1 524754884 NETQRDDCAROAMJ-HNNXBMFYSA-N 422.551 1.480 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NC3CCCC3)cc21 526847389 XYYPLHUGHOCUQY-IZPCHGGPSA-N 418.515 1.977 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2nc(C)no2)CC1 558993805 JSTRWOSFQABLJN-UHFFFAOYSA-N 416.530 1.786 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)CC1 563919140 YJQLJFYNWPYRKC-UHFFFAOYSA-N 403.489 1.584 30 10 HDEE CSc1nc(O)c(C(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 584550859 KCCPIXGELIBHSM-UHFFFAOYSA-N 406.489 1.561 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c(F)c1 586859604 CNKKWNFIEFUNSL-RBUKOAKNSA-N 402.470 1.198 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)o1 603800042 QEKASJLCYXTQFG-UHFFFAOYSA-N 405.479 1.891 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(CS(N)(=O)=O)c1 669738347 QDLYZIKJJKNZOO-UHFFFAOYSA-N 401.488 1.849 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C 727879061 NBPSKUUVLSJIMB-QGZVFWFLSA-N 401.463 1.541 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)cc1 729425388 HLHRDONNACBKIN-SJORKVTESA-N 408.545 1.725 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](c1ccco1)N1CCCCC1 732439040 DMQYXSBNGDVXQK-IJYGLTAASA-N 401.467 1.632 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732697492 ZVSWBLKISIAQEH-KRWDZBQOSA-N 403.508 1.697 30 10 HDEE CC(C)[C@@H](OC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)N(C)C 733833655 ZSSUZKFPGGRFEO-DOTOQJQBSA-N 400.435 1.419 30 10 HDEE CC(C)Cn1ccnc1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742701202 DQBUXUOKWPDEPY-CQSZACIVSA-N 403.508 1.673 30 10 HDEE Cc1cc(O)cc(=O)n1CC(=O)O[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 759902130 CBGYDSOTMJIPOW-LLVKDONJSA-N 401.444 1.855 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 763436462 SPZNZPPVEZNCCC-QGZVFWFLSA-N 413.543 1.936 30 10 HDEE C#CCN(CC#C)C(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 765135512 YQBKWQBFXDZYBH-UHFFFAOYSA-N 409.427 1.178 30 10 HDEE CC#CCCCC(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 767996928 FBOBXBFIRLAIQG-UHFFFAOYSA-N 422.503 1.174 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 772931326 DQLCLBMYIISRAZ-GOEBONIOSA-N 409.508 1.748 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC2(CC1)OCCc1ccsc12 779350696 DAVPUBPLFHUSCC-VLGSPTGOSA-N 416.503 1.848 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)O)s2)cc1 779441467 AHMGWKVMLBHGCK-LLVKDONJSA-N 407.473 1.552 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)NCc2ncn(Cc3cccc(F)c3)n2)c1 780317153 BPJMEGIGVQYHKF-UHFFFAOYSA-N 406.421 1.885 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CCCn2ccnn2)C1=O 784123813 FVCPENJXSQIJDB-HNNXBMFYSA-N 402.480 1.445 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(OC)c(OC)cc1Cl 790349967 AQJMERSAGOLIOT-NSHDSACASA-N 407.897 1.168 30 10 HDEE C[C@@H]1OCC[C@@H]1N(CCO)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 797615701 GPNYIHBXWAOFLH-WOLBXUKWSA-N 424.523 1.503 30 10 HDEE CCCn1nc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C)c2ccccc2c1=O 800728493 QXVBVAWLSYWNFJ-MRXNPFEDSA-N 418.505 1.779 30 10 HDEE C#CCN(C(=O)NCCCNC(=O)/C=C/c1ccccc1)[C@@H]1CCS(=O)(=O)C1 800760156 XNSYZTGAPFYJEA-QZEKMECESA-N 403.504 1.038 30 10 HDEE O=C1COC[C@@H](C[C@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)c3ccccc32)N1 809247363 MVVHRIFYGNMEML-DLBZAZTESA-N 404.422 1.802 30 10 HDEE C#CCOCCNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 810674777 JGLURIWMPURCHG-YRYYUTHUSA-N 404.466 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCO3)n2Cc2ccccc2)CC1 812050269 VKSYGXGBHLVCEP-IBGZPJMESA-N 409.490 1.380 30 10 HDEE Cc1ncc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c(N)n1 819761040 LVDAQYOOFNGMCA-OAHLLOKOSA-N 416.507 1.137 30 10 HDEE CCOC(=O)c1csc([C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)n1 920328985 WIACDOZMFLYTDP-DKXWOSEQSA-N 418.475 1.997 30 10 HDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)c1 1083875678 IUMMLRJZEHLSQF-UHFFFAOYSA-N 420.480 1.339 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 1117626138 KJEXXEBGICFWGR-URVUXULASA-N 401.530 1.853 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1131148728 AZVBOPZDOJLDCO-UAGQMJEPSA-N 421.494 1.456 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1136191795 BERGTSGGCDJOOM-HNNXBMFYSA-N 415.475 1.908 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(C)(=O)=O)nc2)s1 1136221835 ZVRXCVXRYKALJU-UHFFFAOYSA-N 415.518 1.192 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C(C)(C)CO)c1cc[nH]n1 1140031283 UAEYSQNJLIPTQV-SFHVURJKSA-N 402.451 1.570 30 10 HDEE CC(=O)NC[C@@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1142579002 JGVMGXHRWOTPII-WMZOPIPTSA-N 411.462 1.138 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1147485441 KAFDXMHUPVOCGV-INIZCTEOSA-N 405.296 1.836 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)C(=O)OC 1155779480 MZMMNSJBKXBGHA-HNNXBMFYSA-N 405.378 1.832 30 10 HDEE C=C1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)C1 1166321003 AVAKLGOMXPTRTH-UHFFFAOYSA-N 419.547 1.822 30 10 HDEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1166517775 GHFHQMVDXWLBFG-QRVBRYPASA-N 417.531 1.327 30 10 HDEE COC(=O)N[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1177607719 UBRVKVMSJOWIRJ-AWEZNQCLSA-N 407.268 1.714 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 1177718968 WRJUZTIGIHWUSD-GIFJBRJJSA-N 401.488 1.856 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)C1 1177755183 YTJIUDHADIXTPE-PKOBYXMFSA-N 403.548 1.517 30 10 HDEE COC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC(CO)C1 1180903720 OQTNLGNESVLITJ-RTCVJBRPSA-N 421.494 1.204 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(CO)(CO)C2)n(Cc2ccc(F)cc2)c1C 1196094504 PXSFJRKPXFTVOL-UHFFFAOYSA-N 414.481 1.779 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C)cc(Br)c2O)CC1 1207302506 PXANUNIXHCEFHR-UHFFFAOYSA-N 402.314 1.048 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1213137762 GKGJKGDDPXYWNF-WCQYABFASA-N 400.840 1.327 30 10 HDEE C=CCc1cc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc(OC)c1OC 1225350599 OAZGYKZVEPNIPO-OAHLLOKOSA-N 404.511 1.694 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)O1 1233854127 UYBKCZAXXAYENK-NRKLIOEPSA-N 409.531 1.542 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)c1 1259121208 RCNYTZSXNWBYBE-ZDUSSCGKSA-N 409.265 1.953 30 10 HDEE CCc1ccc(C(=O)N(C)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 1269441402 GQUZIQDTCDXTMJ-UHFFFAOYSA-N 414.487 1.813 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1275549661 RQNDLKPDZQZIJI-OAHLLOKOSA-N 403.483 1.633 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)NC2(C[C@H](C)C[C@@H](C)C2)C1=O 1278478622 WGBRBHCJEQXIAF-HUUCEWRRSA-N 405.495 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1286290961 UNAHUTCBYRZJOF-CQSZACIVSA-N 414.491 1.607 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1286379468 STIUPWSKMPSNDL-UHFFFAOYSA-N 412.475 1.248 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1286382331 ADTBHJKQGQPRGE-ZDUSSCGKSA-N 412.466 1.668 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1286406548 XJLUQLLOMWCTLB-UHFFFAOYSA-N 409.881 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCOCC2CCOCC2)CC1 1286488947 ZEBVMLRZXYRMDP-UHFFFAOYSA-N 403.527 1.386 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286503750 KEQNASNJYVDHLM-AEFFLSMTSA-N 400.552 1.797 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1286506933 RBUWQTKAGIEFSN-UHFFFAOYSA-N 418.611 1.902 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286508743 VEXVQURSHXVYPN-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1OC 1286522057 GISRAUWZNWSXOK-PDOICOKGSA-N 406.552 1.987 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286687170 MHJHOQPLBCOHGI-NRFANRHFSA-N 424.509 1.906 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286688830 ZHAPPIDLVWUPSG-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1286696247 YPXNHIOKEDRXBA-HNNXBMFYSA-N 409.498 1.705 30 10 HDEE C=CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOCC1 1286828788 QXGUANZZHOOVEC-UHFFFAOYSA-N 422.580 1.994 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1287099339 ZKFCCNBPULKTAY-JOCHJYFZSA-N 424.505 1.749 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1288699096 DVGDMGPDLKEMGE-MSOLQXFVSA-N 415.542 1.251 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)C(=O)OC 1299179289 OVUVGWJUAOWHGM-MAUKXSAKSA-N 406.504 1.853 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c1Br 1299842460 ZDZNYURKLFYNLJ-UHFFFAOYSA-N 414.263 1.777 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1300464617 GZMCCZUSKHMQHL-HNNXBMFYSA-N 405.499 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@](C)(O)CCOC)CC1 1300692276 CAIVLKVDKJCSMY-JOCHJYFZSA-N 413.522 1.496 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCOCCS(C)(=O)=O 1300800470 SMGHNTONPRFMEV-LJQANCHMSA-N 403.508 1.393 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300957303 RUVGDACYGYPYIA-WIYYLYMNSA-N 423.565 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1301483659 SQXNCGQFLQPCIU-FQEVSTJZSA-N 417.897 1.896 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC=C 1301502053 BDKXGPNJXNZGPB-OAHLLOKOSA-N 420.514 1.511 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)OCC 1302418997 KDMYLKAFNWKYKJ-AWEZNQCLSA-N 412.830 1.585 30 10 HDEE CC(C)c1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302711678 HZXXVNFHFUINSE-VLGSPTGOSA-N 400.483 1.687 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCc2cccnc2)cc1 1302993780 GNMIGIQHYKIMAP-UHFFFAOYSA-N 403.446 1.303 30 10 HDEE Cc1csc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)n1 1304615247 BKFFUOVVOQIWPH-JSGCOSHPSA-N 403.512 1.714 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)CC(=O)Nc1sccc1C#N 1307835847 AFIIPWQPDDKGAH-UHFFFAOYSA-N 412.468 1.356 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)c1 1309903807 ZOHJKPOKHFTNDU-HNNXBMFYSA-N 404.492 1.937 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)C1CCN(C)CC1 1311349384 NXOFOYVXDQOCKO-JOCHJYFZSA-N 414.550 1.808 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1315131668 AYVIBIJIHNHXMH-UHFFFAOYSA-N 418.523 1.323 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1ccnc1C 1316296712 CEEHVEDTHNFKSM-KSZLIROESA-N 415.498 1.326 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1358889715 FTMITOXGKRPARZ-NZEHOUKNSA-N 421.567 1.649 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1358999896 GPWQZIHYYCUQDR-OAHLLOKOSA-N 417.535 1.721 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1C 1359009663 VQGCKTQBIXPQHV-UHFFFAOYSA-N 406.498 1.088 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1359057856 KVZXLUALYYVARY-KRWDZBQOSA-N 413.503 1.483 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1359165541 RFHCTOIFYKWVGQ-QGZVFWFLSA-N 421.567 1.739 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359303581 UKERMHITLXZZBA-QRWLVFNGSA-N 417.535 1.617 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359345948 VWMCKEWALNONBM-LJQANCHMSA-N 404.540 1.036 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)o1 1361204114 MJKAQWWMVRJCFF-UHFFFAOYSA-N 406.512 1.916 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c(C)s1 1442416216 PZMGJMPIEQKDQB-UHFFFAOYSA-N 418.540 1.855 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CSc2nc3ccccc3nc2N2CCCC2)CC1 1445692378 RCWQFAMJNKUFHD-UHFFFAOYSA-N 424.530 1.907 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)CC1=O 1452499149 OEGYTVHFKCCOJJ-ILWGZMRPSA-N 423.561 1.928 30 10 HDEE C#CC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 1453838773 DPUUINBSAQUCQX-UHFFFAOYSA-N 400.547 1.086 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3nc[nH]n3)CC2)c(F)c1Br 1458304764 KDDQCMJNKXDZJN-UHFFFAOYSA-N 415.248 1.089 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CS[C@]2(c3ccc(F)cc3)CCC(=O)N12 1462273354 RIAGAOZDIBZWLU-BEFAXECRSA-N 405.451 1.632 30 10 HDEE COC(=O)[C@@H]1CC(F)(F)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1462492771 LSZSJKXTPXKYIG-KBPBESRZSA-N 420.372 1.172 30 10 HDEE Cc1ccc(NC(=O)C2(CNC(=O)Cn3cc(C#N)c(O)nc3=O)CCCC2)cc1C 1465509952 HNSULGSKLHSHLM-UHFFFAOYSA-N 423.473 1.753 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1cccc(Br)c1 1466105812 ADBFFFGKQLSUMG-AWEZNQCLSA-N 423.292 1.691 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 1469807288 XYPJLMRLQABJFM-UHFFFAOYSA-N 415.515 1.815 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 1470253323 KUYIZXAHCMBUDC-QGZVFWFLSA-N 405.520 1.702 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2cncs2)C(=O)OC)cc1 1471711269 MZFMSIFEJKEYFW-HNNXBMFYSA-N 409.489 1.122 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(Cc3ccno3)CC2)CC1 1473752472 JKBVSKFPHOWAKT-GOSISDBHSA-N 414.535 1.263 30 10 HDEE COC(=O)c1ccc(OC)cc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 1474811907 DOLHHSFGRSMHGB-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 1475633507 BXJOMSHZUJZTBJ-UHFFFAOYSA-N 412.353 1.129 30 10 HDEE C=CCN1CCC(NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1477805457 MZDIVIJMBBKQMD-INIZCTEOSA-N 421.542 1.156 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 1478284349 GZUNHWULGAGKRL-HUUCEWRRSA-N 417.325 1.867 30 10 HDEE C#CC[C@H](COC)NC(=O)N[C@H](CO)c1ccccc1I 1479060912 QDZGMSHHLJAQHE-BXUZGUMPSA-N 402.232 1.662 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)CCC1 1502400566 IEQQSLBFNXXZBP-LSDHHAIUSA-N 422.555 1.225 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1503156122 DTQKFYPDBRXYDU-QGZVFWFLSA-N 412.494 1.680 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)c1 1504338429 FILRAKJVIWETJF-PNHOKKKMSA-N 401.442 1.936 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)CCO1 1504710719 CQBKVZNUIGJZEX-GOSISDBHSA-N 408.466 1.350 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1504755874 UMQVBRBEAGWWCJ-RBUKOAKNSA-N 420.445 1.235 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1COCCO1 1504944911 WBAGEJKIMXCURP-APWZRJJASA-N 415.494 1.926 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)c1 1505313688 DEDMHMQOLQJIQS-MSOLQXFVSA-N 410.478 1.324 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC(O)CC2)C1 1505314325 BNEHTPYIRJHJBZ-YLJYHZDGSA-N 406.506 1.808 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1505315456 MBCPZGUWNJNSJT-NZSAHSFTSA-N 424.505 1.448 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnnn1C 1507533660 SHDDDBAMQBIBTI-OAHLLOKOSA-N 406.498 1.087 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1507554452 RXPJMAFSCDYOBC-UHFFFAOYSA-N 402.543 1.962 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507558807 LCTLYLCQXRIITO-UHFFFAOYSA-N 404.478 1.730 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CC(=O)N(C)CC 1507677037 SYZQBUJHIXBTEJ-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507749332 YGSTXOQCBKPVMZ-OAHLLOKOSA-N 420.560 1.943 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507845180 XQSJZBQTYGQERW-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507849600 ZALATNIIIUXMDO-HXUWFJFHSA-N 407.515 1.191 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507956913 IHYMIBGEWUBEJC-SJORKVTESA-N 416.526 1.354 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1508062112 NXEFJJKYBWSONQ-UHFFFAOYSA-N 401.515 1.314 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1508076786 HVCYJJYUPNOKOA-OPAMFIHVSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1508085138 FUYMIXWHZROYSG-ZACQAIPSSA-N 412.469 1.473 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2C)C1 1508087781 PXHVKWGSDLQJQE-FUHWJXTLSA-N 408.506 1.834 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1508090652 IFUYSAUFFXUERY-INIZCTEOSA-N 424.461 1.030 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1508152517 NAXVHDHGDWLGDB-YOEHRIQHSA-N 415.585 1.424 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1508704137 WNAMPHWKZGXMEA-GVDBMIGSSA-N 407.515 1.324 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C[C@@H](C)C#N 1515312223 BAJSKJVUCUZVNP-HNNXBMFYSA-N 400.483 1.940 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1516981878 WRPKYCIYKGKWPX-ROUUACIJSA-N 411.466 1.922 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOC[C@H]1C 1519409712 ODYANYGQCWKYAL-MHORFTMASA-N 406.531 1.319 30 10 HDEE CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@H](C)C#N 1530026900 RTLFXZSTJIRBKO-DIFFPNOSSA-N 407.268 1.977 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1530084660 ZYAHDBQAWSZNEH-GOSISDBHSA-N 417.531 1.415 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CCc2c(C)nc(N3CCOCC3)nc2O)CC1 1533086162 NNAQFDPJBNQGRM-HNNXBMFYSA-N 405.524 1.506 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1536707984 DFYIQOHJOXBBHQ-UHFFFAOYSA-N 408.495 1.189 30 10 HDEE Cc1ccc(-n2cnnc2SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1537006151 RIEAPBARGHYFRN-KBXCAEBGSA-N 417.516 1.065 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(C(=O)c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1538540616 ZVDIQOCBWUQTMY-GUXCAODWSA-N 419.478 1.075 30 10 HDEE C=C[C@H](OC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccc1 1538944036 XCKRBEYFVSKTCO-SFHVURJKSA-N 400.456 1.891 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCC(=O)NC 1539193474 CQFLQYIBVRHOFA-UHFFFAOYSA-N 406.284 1.825 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1539203561 SBJFKTUSUHTMNI-MRXNPFEDSA-N 403.508 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(C)(C)O 1539406102 UGFIIVYLPDRNGZ-UHFFFAOYSA-N 410.482 1.168 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539430380 IUJHEIIKLJBGJQ-RTBURBONSA-N 402.587 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOC(C)C)CC1 1539446471 DDCKSPOUYQZFST-GOSISDBHSA-N 423.583 1.141 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC 1539669708 SKXDLRZDSLTIPK-HOTGVXAUSA-N 415.560 1.438 30 10 HDEE C=C(C)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1539734025 ZOVRKYKGDHFFPL-RBUKOAKNSA-N 410.540 1.521 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1540044635 XVPPACSQNSFRHJ-HXUWFJFHSA-N 416.913 1.962 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCOCC1 1540171066 VELMLKKCAVCLIY-QGZVFWFLSA-N 423.583 1.469 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540875948 CKMMEDLNOKYKOA-UTKZUKDTSA-N 421.542 1.626 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1540876055 GFVBAINJZKYPJX-BFYDXBDKSA-N 419.526 1.498 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CN(C)C)C1 1540881927 XDJOWVCLXSDIIU-KRWDZBQOSA-N 404.559 1.883 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1541804797 CNGPEBPCAANRHU-BBRMVZONSA-N 413.457 1.735 30 10 HDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)c1cccs1 1541954174 DFWSGWHEIHFKOG-FQEVSTJZSA-N 408.487 1.722 30 10 HDEE C=CC1(CC(=O)N2CCC(C(=O)NCCCO)CC2)CN(C(=O)OC(C)(C)C)C1 1545666967 BHNBQDICZPMFOG-UHFFFAOYSA-N 409.527 1.537 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1555683338 XYMKVEKTDLIVHU-QFBILLFUSA-N 423.489 1.436 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1556132789 UFTPWPPMUURNLH-HZPDHXFCSA-N 421.519 1.898 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CN(C)C)c1ccc(Cl)cc1)c1cc[nH]n1 1556359752 DKNOPFKZMCXBNT-MRXNPFEDSA-N 421.885 1.766 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(N4CCOCC4)ncn3)CC2)c(Cl)c1 1556401220 BLOSJTPBXBRDTA-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@H](CO)NC(=O)c3cccc(F)n3)CC2)OC1(C)C 1558165420 SEPYEBRWIIQXOX-HNNXBMFYSA-N 421.278 1.396 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2n[nH]c(C)n2)CC1 1565963763 YHGMONWIAOSUMR-CQSZACIVSA-N 412.922 1.793 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 1570279929 YAVJJATZRPELAK-CRAIPNDOSA-N 415.515 1.756 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)s1 1584194952 JCFHVBSDFKXIPU-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CCO2)cc1 1585446540 UTVRFTHKJIYPFD-VQTJNVASSA-N 403.442 1.578 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CCC1 1587989429 JKZIVBRRUANVFF-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588034492 HFAZMFOBCSRWOB-AEFFLSMTSA-N 407.584 1.724 30 10 HDEE Cc1c(F)ccc(N)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588158340 TXSARRJVUSSGJZ-UHFFFAOYSA-N 402.451 1.735 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(O)(CC)CC)CC1 1588749823 AJPMZJDFDPVHHK-JOCHJYFZSA-N 419.570 1.625 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCCCC2)CC1 1588805828 CAPKUFYBVOFWBR-SFHVURJKSA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(C)CC(F)(F)F)CC1 1588849042 WMNZFQDCLYOFJG-UHFFFAOYSA-N 421.471 1.513 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCNS(=O)(=O)CC 1589185765 JSUCWGOUZIODCQ-HXUWFJFHSA-N 417.535 1.885 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1594912934 AAFBAUSUNACFOE-INIZCTEOSA-N 409.498 1.264 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)CC 1595243849 HPOJIZWGQGQYIX-UHFFFAOYSA-N 414.510 1.821 30 10 HDEE C#CCN1CCC(NC(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 1596610158 MWZYULNDEVZSIZ-UHFFFAOYSA-N 408.428 1.906 30 10 HDEE CO[C@@]1(CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1598279749 KFUWATOLVACSIN-KBXCAEBGSA-N 417.528 1.284 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)Cc3ccccc32)c1 1603646204 APXWIXYRHBWNIW-UHFFFAOYSA-N 401.419 1.442 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)n2)c1 1606745558 BOPAONKLNUJOPD-UHFFFAOYSA-N 409.471 1.754 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1611456156 VZSHGEGJVGGAKV-UHFFFAOYSA-N 408.461 1.807 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1C 1617125217 KIGHZQVXFGOPTN-UHFFFAOYSA-N 417.491 1.876 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1619042580 BVRITLOKNPKYEQ-KRWDZBQOSA-N 424.505 1.869 30 10 HDEE COC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1)OC 1619596144 PZRNYANMEMQJBA-CVEARBPZSA-N 402.411 1.243 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1620355193 HLLRFHUTTNRPFR-PMPSAXMXSA-N 409.512 1.216 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@H](F)C(N)=O)CC2)CC1 1620501310 BCEJLDRDMNCNLB-QUCCMNQESA-N 419.476 1.070 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Br)c2)CC1 1622843046 WLVVAXIEMQFXTO-UHFFFAOYSA-N 401.286 1.066 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CCN(S(N)(=O)=O)CC2)cc1 1622964557 HXHJCIZCKZXVNB-UHFFFAOYSA-N 421.523 1.290 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)Nc1ccc(C#N)c(Br)c1 1624633842 HRTAUQXZYWOSGT-UHFFFAOYSA-N 402.212 1.716 30 10 HDEE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc21 1626656404 XODAMLILTKABCT-UWJYYQICSA-N 415.515 1.915 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2Cc3ccc(C#N)cc3C2)CC1 1631130728 YGORXCBSUPOPLW-UHFFFAOYSA-N 413.503 1.841 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 1631455863 AGLWSYYXNLCCBK-VQTJNVASSA-N 405.458 1.614 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C(F)(F)F 1633862782 YXZFBXDJERDKTA-ZMHKRQFYSA-N 403.357 1.103 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 1634554712 GYHZXFZRPUXJKJ-IEBWSBKVSA-N 403.548 1.935 30 10 HDEE CC1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CN(C(=O)OC(C)(C)C)C1 1637600257 RCIKZYQPBKACOC-UHFFFAOYSA-N 411.455 1.862 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1638216944 FUTDOCMUWCGUBJ-NRFANRHFSA-N 422.526 1.183 30 10 HDEE C=CCNc1ncc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)s1 1638977540 GMNSYTVODIWOHY-UHFFFAOYSA-N 414.484 1.679 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C)C1 1639265067 BJHAITXNPAGMEM-MRXNPFEDSA-N 404.430 1.257 30 10 HDEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1640307022 ITVBLENWIZBMJQ-KGLIPLIRSA-N 412.471 1.594 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 1642123442 MESBHOVKSSYTDT-UHFFFAOYSA-N 402.499 1.969 30 10 HDEE Cc1c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cnn1-c1ccc(O)nn1 1643889229 UATHVIXKDZKQFH-KRWDZBQOSA-N 403.446 1.899 30 10 HDEE CC[C@H](CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1645918616 CDMZONLFSHLOPT-UONOGXRCSA-N 423.535 1.988 30 10 HDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC(c2ccccc2Cl)=NO1 1645997549 DBNJCWRQHHJQDF-JBBXEZCESA-N 407.879 1.620 30 10 HDEE CCN(CC(C)C)c1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1646439752 QLIVKEXOMUGDNI-KSSFIOAISA-N 410.565 1.565 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)NC3CCN(S(N)(=O)=O)CC3)c2)cc1 1647912168 DRHAINKAAJFQJS-UHFFFAOYSA-N 414.487 1.535 30 10 HDEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155205 AGBCBGMQJHJALY-YRISNDGFSA-N 417.531 1.536 30 10 HDEE COC(=O)[C@H]1c2ccccc2OCCN1CCS(=O)(=O)c1cccc(C#N)c1 1648520503 WBUIGXUUOXWJBJ-LJQANCHMSA-N 400.456 1.941 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1649540555 FVAITWVKBVJFFT-NRFANRHFSA-N 409.494 1.291 30 10 HDEE COc1cccc([C@H](O)CN(Cc2ccccc2)c2[nH]c(=O)n(C)c(=O)c2C#N)c1 1650900983 ARGXCGJUICLIMX-LJQANCHMSA-N 406.442 1.694 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOC(F)(F)C(F)(F)F)c1 1651209089 COOLZZOMDQSWMP-UHFFFAOYSA-N 401.313 1.124 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1652520640 AYPFWHAAKKBSPW-QITLCBANSA-N 407.879 1.090 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)c1cccc(C#N)c1 1654149052 TXBGZGCZDVHWPA-SFHVURJKSA-N 402.495 1.603 30 10 HDEE C[C@@H](NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cc2ccccc2o1 1654885484 NPMORYRCCZXSLT-NKSTXHLWSA-N 401.488 1.869 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OC 1655602848 OKOXHCNLAVETQA-LBPRGKRZSA-N 418.265 1.008 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1659159464 LCPKJFJATGFJMZ-RXVVDRJESA-N 419.547 1.828 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)C[C@@H]1C(=O)OC 1660611783 JPHVZRXVEYJPGY-SOUVJXGZSA-N 419.503 1.913 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)C1=O 1663042155 BBILNHXHAQFUIQ-KSSFIOAISA-N 405.520 1.954 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 1670331389 XIMBKHHISJUQTQ-UHFFFAOYSA-N 404.492 1.835 30 10 HDEE C=CCOCCCNS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1670409511 NTMFIKCBWUHSLV-UHFFFAOYSA-N 412.327 1.724 30 10 HDEE CN1C(=O)[C@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)Cc2ccccc21 1674321406 PWLKXSUCVFVVRP-HXUWFJFHSA-N 403.486 1.973 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1675724789 GCLRZKVGVFTBPP-SHTZXODSSA-N 408.480 1.707 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 1679943976 FMKBWRIAIXQJGA-FPCVCCKLSA-N 418.498 1.698 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)c3ccccc3)CC1)C2 1683589462 CSSZTAXRWCOLPA-LJQANCHMSA-N 410.499 1.742 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCOc4ccc(O)cc4C3)C2=O)cc1 1686340979 AQNFMIFQRHUCSW-LJQANCHMSA-N 406.442 1.969 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1689860718 GLIXQZIVKOQSSD-GOSISDBHSA-N 413.570 1.833 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1689893102 UIGWQMPYCCALIZ-BRWVUGGUSA-N 419.551 1.231 30 10 HDEE C#CCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1689941839 VPRYNONRDHSMEC-UTKZUKDTSA-N 401.511 1.545 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(COC)cc2)CC1 1690109338 OCZXLFKDLNRJTM-UHFFFAOYSA-N 422.533 1.464 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CC1 1690122326 NRIMUERKQLZPOW-SFHVURJKSA-N 412.925 1.881 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1690206673 WZFPKESVDIPQNQ-OXQOHEQNSA-N 406.552 1.989 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690470501 CZFGASDXXSEQTD-JKSUJKDBSA-N 420.539 1.907 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1690526971 HHMIWIPPCLJBCK-CRAIPNDOSA-N 413.544 1.048 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690629980 OCPWZCITJGVGLQ-WCQYABFASA-N 405.300 1.947 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(CO)CC1 1690676053 OHQNPTGWBDOXAX-UHFFFAOYSA-N 415.494 1.377 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1695794781 NDIUOFPTOGAHDY-SFHVURJKSA-N 422.493 1.718 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1697988522 PPWCLCWFPHWRFK-KDURUIRLSA-N 412.494 1.347 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCO 1698256020 WJJYNEXTRFPREE-UHOSZYNNSA-N 418.542 1.341 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nccn2C(F)F)CC1 1705652527 CIFZOADFSGNXJE-UHFFFAOYSA-N 421.452 1.420 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(CNC(C)=O)CC1 1705663214 ZMVXWUUJUOKSHJ-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)CC1 1705762521 BEVXYXNEYBVIQC-QGZVFWFLSA-N 410.588 1.777 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705899039 GNHUSXBFZCERGS-OALUTQOASA-N 406.490 1.982 30 10 HDEE CO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1711531084 YVLNBZDFLOALCY-NEPJUHHUSA-N 404.393 1.112 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCO1 1712287347 GUNWPUGDOHHBNM-LJQANCHMSA-N 407.478 1.759 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNC(=O)C2CC2)CCO1 1712882409 BMRXSTRKDPZLLP-MRXNPFEDSA-N 411.422 1.108 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@@H]1CO 1722342682 VBFGCSGXMZCNTA-QGZVFWFLSA-N 411.510 1.232 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1722368426 RIZDDLVNRGXBNH-IRXDYDNUSA-N 424.567 1.299 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722437356 RTTXGBCDLYYYEH-QZTJIDSGSA-N 421.567 1.100 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1722732192 IFGJWEHWLZYYJC-UONOGXRCSA-N 417.601 1.669 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC1=O 1729599465 WFTLSBHZVBMSNT-OAHLLOKOSA-N 402.405 1.519 30 10 HDEE COCCN(Cc1ccc(C)o1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1730749577 AZVYXNGFYVLRRV-VHEBQXMUSA-N 414.466 1.667 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(O)CCN(C(C)C)CC2)c1 1740561812 IZNUQDWEWUUCDD-UHFFFAOYSA-N 424.549 1.878 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1740590807 JVAIIJLPLJNFSG-QGZVFWFLSA-N 421.523 1.562 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1740601834 ZWXHCYDLZMHNPV-CYBMUJFWSA-N 418.498 1.821 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740607092 CUEXSZYSHJHLPA-UHFFFAOYSA-N 407.478 1.034 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740617374 QFVPMAACLUKKFV-MOPGFXCFSA-N 407.584 1.868 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2csc(CC)n2)CC1 1740691316 ZDSITRFVJXKATJ-MRXNPFEDSA-N 418.567 1.825 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)CC1 1740696124 MNJRVYRCAWEWHV-QGZVFWFLSA-N 405.568 1.372 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C(C)C)CC1 1740698574 XNXVDXIWJSREJT-HXUWFJFHSA-N 402.568 1.796 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740782369 PTVFJHIMUHHBIO-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740822441 QALQSVXSOVLNAA-OAHLLOKOSA-N 403.512 1.173 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1742906323 GYTMHKRWOVYASX-QGZVFWFLSA-N 423.521 1.206 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1748712028 DBDOAXBLSMYDTJ-SFHVURJKSA-N 411.510 1.310 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1748744149 UEWFQHYEGKBLRN-QGZVFWFLSA-N 412.515 1.994 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1748751828 NAOZEGNVSOGUBJ-KRWDZBQOSA-N 405.568 1.658 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnccn2)CC1 1748765465 ILFUDNMLHIQGJQ-HKUYNNGSSA-N 411.510 1.532 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1748805816 WNPPKEPNTDVSHA-HOTGVXAUSA-N 423.539 1.261 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748851893 QPADACYKDBXIEK-RBUKOAKNSA-N 415.563 1.508 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](F)COC 1748965325 RLTDXPCIMZNYJO-YJBOKZPZSA-N 404.442 1.861 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749028687 GJYKJSUOEXEIMZ-INIZCTEOSA-N 417.510 1.792 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC 1749053709 KLRHXYOCLMFILX-IFXJQAMLSA-N 418.523 1.332 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C 1749054085 OVJPRBYNRXVUCX-IFXJQAMLSA-N 420.539 1.728 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1749445558 RSADCPKWZCSXDB-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749609231 IRYIWRRHJUSTIL-HIFRSBDPSA-N 413.478 1.872 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1749680876 UTARIBGSMSANJH-QGZVFWFLSA-N 416.530 1.242 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)C1 1749696755 DHBQTKFVSRLMSX-GHTZIAJQSA-N 416.526 1.882 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCCO2)CCOC1 1751027850 ZXKUHDNDKMNVDT-FUHIMQAGSA-N 405.499 1.617 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1760162308 QKIHHUKQHHTSSC-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(OC)CCOC1 1760212466 VQDCHZDOUYIPFI-SFTDATJTSA-N 402.495 1.199 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N(C)C 1760218145 YXBOHAMCMBDJDK-PMACEKPBSA-N 404.518 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1760232507 AAKGMSGQZIKIMY-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N2CCCCC2)CC1 1760258307 STVABSKBYPWPRM-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCCCC2=O)CC1 1760260369 QBOCSIJTGNALRY-UHFFFAOYSA-N 424.553 1.227 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1760352995 DAKGUZCPWKVHBD-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1760530991 ZDTHVEWANCHPOI-IBGZPJMESA-N 422.489 1.856 30 10 HDEE CCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1762635489 HRWXNFSGBFXUMW-IFXJQAMLSA-N 420.514 1.941 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1765601911 CRBVUAGHAYXUAA-OAHLLOKOSA-N 417.539 1.525 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1769570119 ABGPWTIXGARIKC-WFXMLNOXSA-N 421.542 1.920 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)cc1 1771534113 NNBYDXZKTOXUCX-IBGZPJMESA-N 406.446 1.804 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C)C(=O)C2)[C@@H]1c1ccc(C#N)cc1 1848699341 YMWCNWLSPRKFHZ-OALUTQOASA-N 400.504 1.252 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CN(C)C(=O)N1 1849855361 RFOYZXPZRJYVOU-QZTJIDSGSA-N 403.479 1.062 30 10 HDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)COc1cccnc1 1852506914 YUDWKIJABXLSDA-UHFFFAOYSA-N 407.883 1.807 30 10 HDEE O=C(Cn1ncn(-c2ccc(OC(F)(F)F)cc2)c1=O)NCC#CCN1CCCC1 1852701285 VUNVMYNEZLWFLJ-UHFFFAOYSA-N 423.395 1.148 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N(Cc1ccccc1)C1=CC(=O)CC(C)(C)C1 1853276989 DBSROEGKIHTSRS-IBGZPJMESA-N 418.515 1.891 30 10 HDEE CC[N+]1(C)CCC(N(Cc2nnc3ccc(N4CCCC4)nn23)C(=O)CC#N)CC1 1853413521 BSJHGDVJKNUQQQ-UHFFFAOYSA-N 411.534 1.596 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1 1853547654 OCNMEKPDTIXLGW-UHFFFAOYSA-N 415.469 1.566 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nccc3ncccc23)C1=O 1853804312 GZVQUFDQTKRCHU-QZTJIDSGSA-N 407.474 1.480 30 10 HDEE Cc1cccc(CN2CC[C@@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)c1 1854247452 YJHDOTRMCDDSQR-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn3ccccc23)C1=O 1854262969 PBRCRYFVQLHZFK-RTBURBONSA-N 409.490 1.574 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 1854388054 RFZBZOVZMQBLBT-UHFFFAOYSA-N 403.382 1.757 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCCc4nccc(OC)c43)C2=O)CC1=O 1854483061 CNTZANSSYQZJMR-RDJZCZTQSA-N 412.490 1.395 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)[C@@H]3CCCCO3)C2=O)CC1 1854802825 KWUWVZSORBCFFZ-OALUTQOASA-N 411.506 1.552 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cc(Br)cs3)C(=O)C2)C1 1855019554 QXSGKYGXFDXZNB-CYBMUJFWSA-N 411.325 1.783 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1nnc(C(F)(F)F)o1 1855220201 GQYFMRBVZXITGZ-NSHDSACASA-N 407.352 1.762 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1855624432 AWGNVVVTMMCSIF-AWEZNQCLSA-N 423.466 1.524 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)cc1 1855907484 YMHITHJINRJWRH-RBUKOAKNSA-N 408.502 1.959 30 10 HDEE Cc1cccn2c(=O)cc(CN3CCN(C(=O)CC#N)C(=O)C34CCCCC4)nc12 1856210012 SFJMJCCLBSONFO-UHFFFAOYSA-N 407.474 1.790 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)CCN1[C@H](C)CCC#N 1856262556 KYSPWJQBFUYHME-SJORKVTESA-N 407.474 1.657 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cn3cnc4c3CCCC4)C(=O)C2)cc1 1856265718 DKEKJDUDDDFILB-UHFFFAOYSA-N 407.474 1.383 30 10 HDEE Cc1cc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)no1 1856581396 SUXWYWQEKALFDK-HXUWFJFHSA-N 407.474 1.722 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 1856890344 XPMDJNJZVOVPTO-GJZGRUSLSA-N 423.922 1.514 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccccc1F 1856986523 KFZJLBFBNYKPTG-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@H]1CCN(C)C1=O 1857046131 PQFUIUDQZZTPPO-MJGOQNOKSA-N 416.522 1.708 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857055208 AVRQTCUCPMFCCZ-PKOBYXMFSA-N 401.482 1.852 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C3CC3)n(C)n2)C1)[C@H]1CCN(C)C1=O 1857075013 VXXONLCOSUWDFZ-QAPCUYQASA-N 413.522 1.395 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)n1 1857116527 IZMDDONIHZEDCZ-ROUUACIJSA-N 412.490 1.456 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@H]1CCN(C)C1=O 1857270444 MCHHPLNJYRKDRR-HOTGVXAUSA-N 402.495 1.581 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)C[C@@H]3COCCO3)ccc21 1857348187 WNLDCTSBKIZBQI-OAHLLOKOSA-N 408.476 1.104 30 10 HDEE Cc1cccc(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858334449 HURJDPSOZUWYNX-SFHVURJKSA-N 419.528 1.749 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@H](C(=O)Nc3ccc(C#N)cc3)C2)s1 1858425411 JQMINFQLZFOPNT-LBPRGKRZSA-N 420.476 1.017 30 10 HDEE C=CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CCO)CCO)cc1=O 1870386714 ANWDUEVEJCQBCU-FQEVSTJZSA-N 422.909 1.587 30 10 HDEE C#CCOc1cn(C[C@H](C)O)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870562158 SXUCVTKBLIWRIW-SFHVURJKSA-N 411.502 1.572 30 10 HDEE C#CCC(=O)Nc1c(I)ncnc1I 1884892769 YRZVWBLRZKPPLZ-UHFFFAOYSA-N 412.956 1.648 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 1891344477 LCJFKNXPJYMLGH-MRXNPFEDSA-N 414.487 1.754 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 1900466016 ACCVDSYATUOJBH-UHFFFAOYSA-N 415.324 1.960 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1908254499 OMVROOXGUGVVTP-GXTWGEPZSA-N 418.303 1.875 30 10 HDEE Cn1nnc(Br)c1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1964807261 OQFIQNLTOCCESG-JTQLQIEISA-N 415.292 1.781 30 10 HDEE CN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010395571 JOIXTIRSENAHDJ-MRXNPFEDSA-N 420.315 1.834 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2174772558 GUKBCMLKFOUIKQ-SANMLTNESA-N 422.573 1.822 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 2174783350 BFSSLOLVQAABTG-INIZCTEOSA-N 402.561 1.596 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N=c2[nH]ccnc2I)c1 2178137654 NNOWWCPHZLUGBL-UHFFFAOYSA-N 400.201 1.317 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248405965 XTPHYRYWRDNWDR-KBPBESRZSA-N 423.319 1.592 30 10 HDEE C[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352288 CRKVFYADZHFBJT-ZJUUUORDSA-N 409.766 1.996 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282001659 FGZBLLZPVGNFAK-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CCS(=O)(=O)N(C)CCNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282017879 PUPWGXHKIRUXCA-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C 2282336876 HQTWFRIKCDEPOE-AVGNSLFASA-N 400.375 1.807 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)C1 2282348247 JBISOEBDSXAHHY-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)[C@@H](F)C2)c1B1OC(C)(C)C(C)(C)O1 2282415313 GFVOBZUBHUAAEW-RYUDHWBXSA-N 405.322 1.367 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282502765 PNKDWHXKJRDCKV-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(F)(F)C2=O)sc1B1OC(C)(C)C(C)(C)O1 2282834027 OFUOTUCCOAMWKW-UHFFFAOYSA-N 407.269 1.912 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC 2282841067 RPPNONMNAKOIPQ-LLVKDONJSA-N 403.331 1.586 30 10 HDEE CN(C1COCCOC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850384 OHXDATGVEQUFLQ-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](O)CC(F)(F)F)OC1(C)C 2282852244 MUCOPGKYIDVPCM-SECBINFHSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCCNC2)OC1(C)C 2282853679 HEDWGMSPOACQJC-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3nc(CCN)cs3)s2)OC1(C)C 2282859564 NVFMKPDESWODOW-UHFFFAOYSA-N 415.371 1.806 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3nccnc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2283071332 CZDJMJVQDHIALO-AWEZNQCLSA-N 403.288 1.391 30 10 HDEE CCC1(C(=O)O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284395047 GWKPKHDVUZCSIE-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(C#N)cc1Cl 2287301671 DSHKWSYHFXLDAQ-UHFFFAOYSA-N 415.899 1.814 30 10 HDEE C=CC[C@]1(CO)CCCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2360591512 XHXRHZPKHJFKTC-KSSFIOAISA-N 404.529 1.102 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365170193 JQKJDURCYZCODJ-LIRRHRJNSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C1CCOCC1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365191757 QWPTYWLNWJKKBI-JKSUJKDBSA-N 403.541 1.741 30 10 HDEE CC(C)[C@H](CO)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2367030758 WJNSLFVKUQKYAL-AWEZNQCLSA-N 403.375 1.826 30 10 HDEE Cn1nccc1C#C[C@H](N)[C@H](O)c1ncc(Br)cc1Br 2367754862 RNTOAKJURVJJMS-AAEUAGOBSA-N 400.074 1.753 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2 2368659404 FFTOIRFDONXWBE-HRCADAONSA-N 400.545 1.395 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)CC1 27558979 PTIJWJUJBJOJBF-CYBMUJFWSA-N 409.874 1.495 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccnc3)n[nH]2)cn1 59887405 XJYYOZISUKMPDR-CNHKJKLMSA-N 401.456 1.219 30 10 HDEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254820046 TWZKDOXSDLSSDK-CVEARBPZSA-N 411.549 1.781 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ncnc3ccc(Br)cc23)CC1 301291257 QGOKUYPGXMRBPQ-UHFFFAOYSA-N 402.296 1.654 30 10 HDEE COCCN1C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2NC1=NC(=O)OC(C)(C)C 310032220 YIAGEYXFMVMLMB-IAGOWNOFSA-N 402.495 1.856 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CC2)n1 436982429 GXYGXIZGDNQFSZ-GOSISDBHSA-N 405.458 1.612 30 10 HDEE N#Cc1cc(Nc2cnn(CC(=O)N3CCOCC3)c2)nc2ccc([N+](=O)[O-])cc12 443439743 HYBLDDRPQHRFLT-UHFFFAOYSA-N 407.390 1.814 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)CC2)cc1 474158682 GFOJEQBOCLTRCQ-GOSISDBHSA-N 403.504 1.243 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN(C(=O)C(C)C)CC1 477380563 BCRWDFJCENHWPF-UHFFFAOYSA-N 403.527 1.752 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 477765139 AVCSGLUOMAEJCN-KRWDZBQOSA-N 414.506 1.838 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 487861482 XENGPSWRPXHQLO-UHFFFAOYSA-N 408.300 1.949 30 10 HDEE Cc1cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)nc(N2CCCC2)n1 495217258 ANNTURHSNMLUQO-UHFFFAOYSA-N 406.494 1.684 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)CC1 503640866 DDLRVHMCAFWHHG-UHFFFAOYSA-N 418.519 1.305 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508470823 DPZXOUAHBZJNKA-INIZCTEOSA-N 423.477 1.915 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 508938478 KDRVQQKCKVHPEH-KRWDZBQOSA-N 419.432 1.793 30 10 HDEE C=CCOc1ccccc1CN1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 509387781 PFSSCWNJGMCONR-HDICACEKSA-N 409.552 1.723 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@](C)(CO)c1ccc(Br)cc1 511303237 CLRNEHXODPNOGG-OAHLLOKOSA-N 420.329 1.353 30 10 HDEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 515253537 HESQYFCHNHIQRZ-GJZGRUSLSA-N 406.508 1.237 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 516547201 TYMQJQXGUAXXAC-ZDUSSCGKSA-N 403.529 1.664 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C)cc1 523815447 GPPGOAMOIJNEEA-KNQAVFIVSA-N 419.485 1.830 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)Cc2ccc(C(=O)O)o2)nc1C 526899021 XPSBZWXTYZMZIA-MHZLTWQESA-N 412.445 1.973 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2cccc(C#N)n2)CC1 546919889 YXBYFXOWLMCEDV-QGZVFWFLSA-N 422.489 1.041 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 549530510 OUQFHDXIEALTNZ-WMZOPIPTSA-N 421.519 1.176 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@H]2CCOC2)cn1 549688004 PLUDZIKHFLTVPD-MRXNPFEDSA-N 419.493 1.308 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)cc2)c1=O 551924507 SEWFBDCTIRZPDH-UHFFFAOYSA-N 422.485 1.952 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)cc1 552222230 OTBJIIDFGYEAEN-INIZCTEOSA-N 413.503 2.156 30 10 HDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2 553548622 IACKEMQOTUWYAE-CKJXQJPGSA-N 406.527 1.448 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCC[C@@H]3NS(C)(=O)=O)cc2C1=O 557591330 AKUCCJQWPPHXCN-YOEHRIQHSA-N 419.503 1.306 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 557746946 IQJPZFJSNLCRER-LJQANCHMSA-N 407.499 1.817 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227035 IXSGCNCLNWFRSW-UHFFFAOYSA-N 414.491 1.502 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)CC1 609516760 MYMLPGVXUDEUSU-CABCVRRESA-N 403.439 1.485 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c(F)c1 610426250 MLOIERQENWIGGY-AWEZNQCLSA-N 416.434 1.014 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cn2)c1 612548438 OWXFOMLSKPDFGF-KRWDZBQOSA-N 407.430 1.227 30 10 HDEE COC(=O)c1ccc2c(O)nc(CN3CCN(c4ncccc4C#N)CC3)nc2c1 619510181 XNWWAOVHNMOXTB-UHFFFAOYSA-N 404.430 1.711 30 10 HDEE C=C[C@@H](CO)NS(=O)(=O)c1c(Br)cc(N)cc1Br 717552923 UQFPCOUFHFQQBH-ZETCQYMHSA-N 400.092 1.619 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2c(C)cc(C)nc2O)cn1 726114511 ZKCJONXPLNPPDJ-OAHLLOKOSA-N 416.507 1.888 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734292310 JOYKTUNAIZJOHQ-OAHLLOKOSA-N 413.455 1.733 30 10 HDEE COC(=O)[C@@H](OC(=O)Cn1cc(Br)ccc1=O)c1ccc(C#N)cc1 740215086 RCTDCFJILDQKJY-INIZCTEOSA-N 405.204 1.940 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC#Cc1ccccc1Cl 747089067 CFZGEBQJBCIUQK-CYBMUJFWSA-N 420.874 1.701 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)C1 749781258 KCXAZZJYXXEBMG-UZSVJVCZSA-N 411.568 1.491 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@@H](CCO)C(=O)O 757470206 DEDVFEFXSRCOOY-FQEVSTJZSA-N 422.437 1.480 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2cccnc2-n2ccnc2)C1 758347965 ZYHHJRRVURNXMK-CVEARBPZSA-N 411.466 1.826 30 10 HDEE N#C[C@@H]1CN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CCN1C1CC1 762985045 ZRXKRNBUGWAWIL-SNVBAGLBSA-N 407.343 1.644 30 10 HDEE CN1CCO[C@H]([C@@H](NCCN/C(O)=C2\N=CC=CC2=O)c2ccc(Cl)cc2)C1 768227151 FKJYYIYSXPWEJN-IMNNQKJOSA-N 404.898 1.828 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](CO)c1cccc(Br)c1 771201487 CWNBYTRXKSFJIZ-VLUKHXRESA-N 408.252 1.515 30 10 HDEE C#CCN(CC#C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 771388191 KHYGCNDYSUMCBH-SFHVURJKSA-N 402.248 1.311 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 774192124 JNKIDNCVQNUDFM-OAHLLOKOSA-N 410.492 1.087 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774195878 VCRLVIPFBZITID-WMLDXEAASA-N 405.476 1.536 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(C)[C@@H]1c1cccs1)[C@@H]1CCS(=O)(=O)C1 774231228 UNCHYXQZQHCRHB-JZXOWHBKSA-N 409.577 1.963 30 10 HDEE N#C[C@@H]1CN(Cn2c(=O)oc3cc(I)ccc32)CCN1C1CC1 777955541 OGUBNKCICAJOCL-CYBMUJFWSA-N 424.242 1.829 30 10 HDEE Cn1c(CC#N)nn(CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)c1=S 794638966 IOUSPWHZEGTWAU-HNNXBMFYSA-N 406.537 1.881 30 10 HDEE CSc1nc(O)c(C(=O)NCCS(=O)(=O)CCc2ccccc2)cc1C#N 800682700 QHKUVQVWEDHTAF-UHFFFAOYSA-N 405.501 1.768 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)cc1 812749004 ZDAFRFQHYPZLKH-SFHVURJKSA-N 418.494 1.759 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1)[C@H]1CCS(=O)(=O)C1 813241144 YKIWWUCQMDKJGI-QAPCUYQASA-N 418.519 1.499 30 10 HDEE N#Cc1cccnc1N1CCN(CCC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 813750551 WGEZLUZMLDTFTN-UHFFFAOYSA-N 418.501 1.996 30 10 HDEE C#CCn1cc(CNC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)cn1 816370810 LMSUZQMTIRCPEC-UHFFFAOYSA-N 404.492 1.242 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCc2cnn(C)c2)cc1 916710302 FYTICLVKPDVYIM-OQKWZONESA-N 404.496 1.597 30 10 HDEE C#CCN(C(=O)COc1cccc(NC(=O)c2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 918755941 HMUCEKWGVIKSBZ-MRXNPFEDSA-N 416.455 1.560 30 10 HDEE Nn1c(NN=Cc2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1nc[nH]n1 1084562636 VQVSBPMTUTWKTP-UHFFFAOYSA-N 424.450 1.146 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)cc1 1084588469 SMGMUGDMZOECOE-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE C[C@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ncnn21 1131114179 WUCYNEBADLXPMG-GUYCJALGSA-N 414.491 1.373 30 10 HDEE C[C@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ncnn21 1131114180 WUCYNEBADLXPMG-SUMWQHHRSA-N 414.491 1.373 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc(F)cc(C#N)c2)cc1 1132219434 FXTJXEYPNAKBGJ-UHFFFAOYSA-N 404.423 1.915 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(=O)OC 1132421014 CECIJHJKYNPGET-INIZCTEOSA-N 414.455 1.084 30 10 HDEE N#Cc1c(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)nc2n1CCOC2 1135005874 LAZITEZBJNBNPB-FQEVSTJZSA-N 413.409 1.974 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccccc1Cl)N(C)C)c1cc[nH]n1 1135461927 TXNVAFRIYLZOKM-MRXNPFEDSA-N 421.885 1.766 30 10 HDEE C[C@]1(C(=O)NCCNc2ncccc2C#N)C[C@@H](O)CN1C(=O)OCc1ccccc1 1136424023 GXBJXKUPAJVUNY-XMSQKQJNSA-N 423.473 1.643 30 10 HDEE CC(C)(C)OC(=O)COc1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1136672787 YZKWXBZNSCXTDL-ZZEZOPTASA-N 415.446 1.663 30 10 HDEE CC[C@]1(C)NC(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1139682875 HKNRBYZPNFTFSJ-QAIKJCIVSA-N 419.482 1.525 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1141562946 KNUNRBYJWNNILU-AWEZNQCLSA-N 423.901 1.992 30 10 HDEE CC[C@@](COC)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1160930252 IECORENZEDVNHL-HOBGOZEFSA-N 423.510 1.858 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(C)C 1161344599 BJBZORKDXNTBAC-APWZRJJASA-N 404.486 1.817 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1161760191 YSPPKFWIEWFFDT-AWEZNQCLSA-N 403.483 1.400 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCN2CC(F)(F)F)c1 1194583206 ICBKREGDGRSPPN-CQSZACIVSA-N 405.442 1.907 30 10 HDEE COc1ncc(NC(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1C#N 1209050647 GTEDYANISRCKEI-HNNXBMFYSA-N 404.471 1.634 30 10 HDEE C=CCN(C(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2)[C@H]1CCS(=O)(=O)C1 1219197657 XJAWVMMHNNMJEM-RYUDHWBXSA-N 413.521 1.628 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCC3(CC2)CC(=O)C=CO3)s1 1230649439 IPGQYJZTWGSQSN-UHFFFAOYSA-N 413.521 1.382 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1230820809 DTIHUTLCXZAXDK-NVXWUHKLSA-N 411.455 1.062 30 10 HDEE CCn1cc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1252825891 CLLIWUXGZYXTIF-UHFFFAOYSA-N 405.466 1.592 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286335667 SADCJBOLEXPSEH-UZLBHIALSA-N 403.483 1.375 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccccc1)N1CCOCC1 1286413544 KZRLNNHUDMBGRA-FCHUYYIVSA-N 419.529 1.928 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1286727678 XFAFHAMBJGUENH-CYBMUJFWSA-N 411.915 1.930 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1286789114 AITCVICFWNMUJP-UHFFFAOYSA-N 407.478 1.211 30 10 HDEE CC(C)c1nc([C@@H]2COCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)no1 1296258900 VKHBONCANZXEDH-HNNXBMFYSA-N 422.438 1.843 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1300428865 QTQFGMWABYMZNH-ULQDDVLXSA-N 416.482 1.685 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(O)c2)CC1 1300682980 UPVBIUMSSOUPQN-UHFFFAOYSA-N 417.473 1.435 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1301216311 IJJLEKZPBQXREA-CQSZACIVSA-N 400.483 1.934 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1301308541 GSBQNDCXWHICIM-UHFFFAOYSA-N 403.458 1.901 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2COCCO2)C1 1301566900 SZFVFNIRVUZUKC-ZWKOTPCHSA-N 402.499 1.336 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC2(O)CCCC2)cc1 1302993184 ACRYHPNQIRCTEE-KRWDZBQOSA-N 424.505 1.736 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)N2C(=O)c3ccccc3C2=O)CC1 1303026619 QXSKNTFHYLDZHG-QGZVFWFLSA-N 400.500 1.781 30 10 HDEE CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1303312631 HKDDPMAHYCNGAE-SFHVURJKSA-N 413.453 1.645 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccnc3O)nnc12 1306883807 HBZYIIIHQYQMPF-UHFFFAOYSA-N 422.470 1.739 30 10 HDEE CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CN1CCN(C(=O)CC#N)CC1 1307777772 IZBNQFQWEANCCC-UHFFFAOYSA-N 424.461 1.045 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1309902588 LAJICBQTSNKJGJ-UHFFFAOYSA-N 404.513 1.884 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)CC1 1310028805 HSPGUNHQHVFNJK-UHFFFAOYSA-N 414.462 1.998 30 10 HDEE CO[C@@H](c1ccccc1F)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1312365569 FUSSIXOCRZSAEF-MEDUHNTESA-N 401.398 1.302 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1314105720 FKBCQKPGRDPYOR-LAUBAEHRSA-N 419.526 1.866 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1316157349 QPLRIHUWNNJUQK-KKSFZXQISA-N 415.494 1.662 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC2CC2)CCO1 1316540687 YUESUYUNXYSDJC-AWEZNQCLSA-N 401.858 1.248 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCOCC1 1348580404 DCGNYAMAOQPNIF-UHFFFAOYSA-N 413.446 1.508 30 10 HDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cnn(CCC#N)c1C 1357395986 XKBUEXKRXGEFED-UHFFFAOYSA-N 403.464 1.807 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2nnn(C)n2)c1 1358900438 KKLNCMPVDPAIJU-UHFFFAOYSA-N 407.482 1.204 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1358946183 LZOUDRXRQZLDTE-IBGZPJMESA-N 402.524 1.469 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358959657 NIZHCMJBWOFHHP-CQSZACIVSA-N 406.483 1.482 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnn(-c2ccccc2)c1 1358977429 MHCZQGQWJQKHRU-FQEVSTJZSA-N 413.485 1.730 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 1358980837 LXZBZKKQLROMMV-UHFFFAOYSA-N 405.550 1.363 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCO[C@H]1C 1359276040 PIRVASNDDCOCTO-HRAATJIYSA-N 417.510 1.784 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@H](F)C1 1359282076 QJIBVKDRWFOYTC-OAGGEKHMSA-N 400.520 1.957 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNC(=O)C(C)C 1359295826 OSVHTURHZNUQGA-UHFFFAOYSA-N 419.917 1.504 30 10 HDEE Cn1ncc(C(=O)Nc2nc3n(c2C#N)CCS3)c1I 1360155504 ZGXWWRAKFGOFHD-UHFFFAOYSA-N 400.205 1.451 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1360206848 JUHKECVXJDCINI-HNAYVOBHSA-N 408.478 1.301 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)ccc1F 1436358355 VMDIDRCZHPUPOK-INIZCTEOSA-N 400.472 1.996 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 1445686874 HTLGTWPCDZUPCV-UHFFFAOYSA-N 417.425 1.076 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)OC 1451178283 IMUGTCXSWFJSJN-SFHVURJKSA-N 406.504 1.935 30 10 HDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1452466551 WQABFOWFUCLOJV-MQYQWHSLSA-N 406.508 1.005 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 1452531721 XRTQMPSJRPWPHB-SMDDNHRTSA-N 419.425 1.731 30 10 HDEE COC(=O)[C@]1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1460478873 COGIVWMYVNCGOM-NRFANRHFSA-N 414.462 1.820 30 10 HDEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OC 1462160241 AWBISKNHYODFRW-SFHVURJKSA-N 423.535 1.071 30 10 HDEE COC(=O)N1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1462976230 BWBOYLMTEOBDHI-UHFFFAOYSA-N 420.260 1.923 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463163135 KUILYOAYRWOQIL-AKWBHNSASA-N 418.441 1.563 30 10 HDEE C#CC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1 1465334884 GPAHUIVFHMXIFA-FXBPSFAMSA-N 404.492 1.491 30 10 HDEE C#CCOc1ccc(NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1465628254 CKYOPYCMSAGVFG-GOSISDBHSA-N 408.524 1.775 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1466822977 WERDZRSMHHGHMU-HZPDHXFCSA-N 422.407 1.971 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1470354843 ZQOLMCNOCIXYKI-CQSZACIVSA-N 414.319 1.994 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)O2)[C@H]1C 1471930081 YQZDPAWKECNFRB-AIUZKBQUSA-N 406.504 1.562 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2cc(C#N)c(Br)cn2)CC1 1472688394 YXEDDUIUXAIKSN-ZDUSSCGKSA-N 410.316 1.379 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C 1473791965 KJUSVTQDHPLPOO-OAHLLOKOSA-N 408.524 1.962 30 10 HDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 1479048575 PMBXOBVMYOOKCQ-GOSISDBHSA-N 424.553 1.254 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOC2=O)n1 1492734173 DBEVSDRGYIHZKI-CQSZACIVSA-N 400.487 1.578 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CN(CC(C)C)CCO1 1492908607 MBZSACADZRWTRM-FQEVSTJZSA-N 424.553 1.537 30 10 HDEE CCc1nnc(N2CCCC[C@@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499085554 NNBJEWYOYORVGG-AMGRQBIBSA-N 402.499 1.620 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(N)=O)nc1 1504887368 BVFRQTGSXQTLOE-KRWDZBQOSA-N 413.482 1.428 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1505314170 VLZDBYDVHAANIM-CVEARBPZSA-N 416.432 1.943 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1505320336 IQDAJXUNDZZVDR-RTBURBONSA-N 402.543 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1507520685 FUCGCXVPMDARGW-PDSXEYIOSA-N 400.479 1.960 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1 1507528509 NNGXTVCAQNSSBY-HNNXBMFYSA-N 411.491 1.172 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NCCC 1507534758 RGWZCKQGLZYNOA-AWEZNQCLSA-N 407.478 1.968 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1507659997 KIIFLTALVOPAPV-AWEZNQCLSA-N 421.473 1.678 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCn2nc(C)cc2C)CC1 1507724029 DKPXCXBMUJKVPX-UHFFFAOYSA-N 418.549 1.923 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1507798314 NUOOOMHBVFHIDM-WKULXVSPSA-N 424.567 1.775 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1507813176 VLRVMYPRQREHDQ-CQSZACIVSA-N 408.528 1.743 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507947989 MTFBJWJPIIVSNV-ROUUACIJSA-N 401.559 1.412 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCOC(C)(C)[C@@H]1C 1508089905 ZYWDPBRIBVVIGF-ZDUSSCGKSA-N 416.482 1.312 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCCC2)CC1 1508097617 RYHNNZDNQLFROC-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1509938630 HMLVRRUOOYQISB-QKKBWIMNSA-N 422.493 1.675 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1510170942 XSOZUFWXTBRYIL-ZFWWWQNUSA-N 422.511 1.407 30 10 HDEE Cc1cc(C)n(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)n1 1511724961 BTTMGOBYLKYKAA-IBGZPJMESA-N 406.494 1.896 30 10 HDEE CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1515472557 MUXFFGNKSYCYTO-UOFXHNCJSA-N 424.505 1.981 30 10 HDEE COC(=O)c1cnn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 1516185864 UPXQUWSDYKTZQA-PGMHBOJBSA-N 419.463 1.121 30 10 HDEE COc1ccccc1CCN(C)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1518477199 LMRAADKZNBKAGV-VXPUYCOJSA-N 410.478 1.800 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 1524475082 GLDQJACVJSPZLA-NRFANRHFSA-N 407.511 1.296 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 1528559289 NTBYXVPMRHXZBY-LJQANCHMSA-N 408.506 1.625 30 10 HDEE COc1cc(C#N)ccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1530497951 APOJAGQNXHQIIL-UHFFFAOYSA-N 415.475 1.296 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1538761532 ZVDIQOCBWUQTMY-TWOQFEAHSA-N 419.478 1.075 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1([S@@](C)=O)CC1 1539167323 ALLYAKPGWRAJOM-MUUNZHRXSA-N 420.564 1.219 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1539205353 GZWBAMSWRYEBTB-SJLPKXTDSA-N 402.520 1.989 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1539358016 WFSKRDIBFPYUQT-MRXNPFEDSA-N 417.535 1.837 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539533137 KOAUAKCYFGXSAA-TWOQFEAHSA-N 421.567 1.331 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCC2(CCOCC2)C1 1540873437 XNUAAFGSCCJQSF-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1541800149 VCKZCNNXSKJHBE-HNNXBMFYSA-N 416.507 1.616 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(N)=O)nc1 1542724743 DMSOQTWYTZDPRF-INIZCTEOSA-N 403.446 1.525 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC(=O)N1C 1544754775 HSPMQYANUMXARO-QFBILLFUSA-N 424.505 1.679 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1555991050 VQDLADNIOROQAX-IAGOWNOFSA-N 407.540 1.737 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1557200727 RQLGIBJOAHDFGK-UHFFFAOYSA-N 422.438 1.913 30 10 HDEE CC(C)(c1nnc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)o1)S(C)(=O)=O 1557923581 PYOSXLJXEOXBRC-UHFFFAOYSA-N 418.475 1.657 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558465873 QTYONNOHAOFHLG-CQSZACIVSA-N 417.466 1.765 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC4(CCNC(=O)O4)C3)C2)C1 1558627466 AORUONFACFYOBU-BIWSTMPVSA-N 404.467 1.484 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1560182702 OECFNIJMPDAYFH-KUHUBIRLSA-N 414.487 1.606 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCOC23CCOCC3)cc1 1562197046 CFKTVTMMQAFFLD-QGZVFWFLSA-N 409.508 1.953 30 10 HDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1563075644 HNEAHYWNBJGTHE-UHFFFAOYSA-N 408.480 1.783 30 10 HDEE C#CCN(C(=O)NCc1nnc2n1CCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1563577930 CAIHOAPCLBTKMX-UHFFFAOYSA-N 402.499 1.769 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCOCC1 1564401770 OCACACKAZOTKSA-UHFFFAOYSA-N 405.929 1.552 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531877 ZUWUVGQMVGSQBT-HYVNUMGLSA-N 402.499 1.896 30 10 HDEE CC(C)N1CCN(CCCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1568507374 BZXIKAHCYVIGCZ-OAQYLSRUSA-N 411.550 1.582 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1583856083 DLRDCUFEYLYCHP-UHFFFAOYSA-N 403.523 1.786 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccnc(Cl)n3)cc2)C1=O 1584106872 NWZQWNBZPFJSFD-UHFFFAOYSA-N 415.793 1.838 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1584656983 LPDJWYDEYJWDRX-WZHMAMEKSA-N 404.511 1.852 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1587614326 ICHBYYYEAKBVQT-ZBFHGGJFSA-N 409.469 1.620 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC2CC2)nc1)[C@H]1CCS(=O)(=O)C1 1588035637 WIBWJHFPWQRUEY-SFHVURJKSA-N 415.519 1.445 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1588054170 LCQYGYSPGJFXCC-SFHVURJKSA-N 404.536 1.909 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCn2cc(CO)nn2)CC1 1588791147 NWNXZGFBKVHYGT-UHFFFAOYSA-N 424.484 1.014 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCSC2)CC1 1588930339 SVCFBVLXBBGTGI-SJLPKXTDSA-N 417.579 1.891 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1589060251 PLYLPLLWXWBZRI-CVEARBPZSA-N 412.581 1.900 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](COC)C1 1589528214 DIYMQNZMMPIZNK-RYRKJORJSA-N 400.483 1.568 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N(C)C)CC1 1594014875 WXGQQKKUFXXCDW-JKSUJKDBSA-N 422.555 1.941 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1594732251 AQDZZGKJAASKTJ-MRXNPFEDSA-N 423.583 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595544415 HVDLOUJWDONOBR-DLBZAZTESA-N 412.494 1.875 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1606803482 XZQPXWAWPTUPOE-QFBILLFUSA-N 410.474 1.225 30 10 HDEE C=CCn1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2)nn1 1611499525 ZLTXDAWYOMQMPT-CYBMUJFWSA-N 409.446 1.919 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1616239075 JHHLTYDZXDSAHT-HOCLYGCPSA-N 403.426 1.974 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1620076158 DASLZEGQJUXTNX-UHFFFAOYSA-N 414.510 1.831 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCNC(=O)C2CCC2)CCO1 1620354551 ADOZBSNFOUDXPQ-SFHVURJKSA-N 409.494 1.299 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC1(CS(C)(=O)=O)CC1 1621714823 FGENSOAMAMJQBG-CQSZACIVSA-N 401.529 1.905 30 10 HDEE C[C@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1622049583 BDJSYAPTMQIGSV-CYBMUJFWSA-N 415.357 1.625 30 10 HDEE COCn1nc(C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1C 1622469498 FUHJGWPSHPXGOH-UHFFFAOYSA-N 407.471 1.626 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2c(C)nn3cc(Br)cnc23)CC1 1622584586 QUXYBDRNBYRIHX-UHFFFAOYSA-N 412.313 1.176 30 10 HDEE CN1CCCC[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 1624892161 CERADHKFUMKCPK-WFOVFMPGSA-N 406.508 1.696 30 10 HDEE CC(C)C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)n1ccnc1 1625121274 MOYFTAXTFXFZLE-IBGZPJMESA-N 415.519 1.875 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1626353903 IGJMUQGRSHNCHG-IAGOWNOFSA-N 421.542 1.514 30 10 HDEE COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)ccc21 1627137386 XODAMLILTKABCT-LAUBAEHRSA-N 415.515 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1627791718 DOQHUKJQJACDLK-KRWDZBQOSA-N 400.479 1.205 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(OC)cc1N)[C@@H]1CCS(=O)(=O)C1 1630830124 JWQIEDPOSUXUAT-SNVBAGLBSA-N 401.282 1.302 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 1632687198 DDBVVVBPZGVPFK-ZDUSSCGKSA-N 415.475 1.632 30 10 HDEE C#Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1 1632750788 HTLHFDXCKABGLB-HXUWFJFHSA-N 405.502 1.663 30 10 HDEE COc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)ccc1OCC(N)=O 1633171266 HNPBQRGLMQCHKU-UHFFFAOYSA-N 409.442 1.867 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)C1 1634554705 GWGVUXRUHFEORT-IRXDYDNUSA-N 406.552 1.273 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 1635345787 HPWPFAFSENRTHP-FQEVSTJZSA-N 409.483 1.613 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc3n2CCOC3)C1 1635630227 ZTTGEJFZGGNPOK-UHFFFAOYSA-N 417.267 1.195 30 10 HDEE Cc1nsc(N2CCN(C(=O)CC3(NC(=O)OC(C)(C)C)COC3)CC2)c1C#N 1636900917 PCSOGCJCMOIOGS-UHFFFAOYSA-N 421.523 1.656 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@@H]1CCCN2C 1637264800 GKLMEAMYFCSGHJ-KSZLIROESA-N 418.563 1.979 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@@H](C)[C@H](C(=O)OCC)[C@@H](C)C[C@H]1C)c1cc[nH]n1 1637764413 AAFXTWGLHMEOAN-QDEZUTFSSA-N 422.482 1.518 30 10 HDEE C#CC[C@]1(C(=O)NCc2nc(C(=O)OCC)n[nH]2)CCCN1C(=O)OC(C)(C)C 1638577739 ITNKAMYPHIRSCV-LJQANCHMSA-N 405.455 1.391 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(Cl)cc2c1OCC2 1638650705 IOVCRYOOSJVQLO-SNVBAGLBSA-N 415.837 1.736 30 10 HDEE C=CCNC(=O)CNc1c([N+](=O)[O-])cnc2c1ccn2S(=O)(=O)c1ccccc1 1639699518 KIPWAVVZJVHQDF-UHFFFAOYSA-N 415.431 1.896 30 10 HDEE N#Cc1cn(CC(=O)N2CCOC[C@H]2c2cccc(Br)c2)c(=O)nc1O 1640542281 QNVLFDMTMBIOFQ-AWEZNQCLSA-N 419.235 1.183 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1640838059 IWPXNEIVDJDUJP-IBGZPJMESA-N 409.529 1.525 30 10 HDEE C=C[C@@H](O)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1640936840 YOTYRAQPRPVYCZ-FPMFFAJLSA-N 404.360 1.744 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1644123342 BRHTZLIHTPROEZ-OAHLLOKOSA-N 407.492 1.782 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(F)(F)OC(F)(F)C3)C2=O)cc1 1644985133 WJQXZGDSNPTLIO-LBPRGKRZSA-N 414.315 1.808 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 1645693400 DREIHLUFIKSYIN-GDBMZVCRSA-N 401.492 1.365 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2cncc(Br)c2)C1=O 1646140211 OVRHNEPUMHVGOA-ZDUSSCGKSA-N 421.251 1.484 30 10 HDEE C#CCOCCN1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1649397942 QWHJBBAMFYDDSO-UHFFFAOYSA-N 407.355 1.857 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(c3ncccn3)CCOCC2)s1 1652442757 SUNVZMNNGCEPGM-UHFFFAOYSA-N 422.532 1.367 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccncc1 1654643809 OJXVNVJKJSCISO-KRWDZBQOSA-N 416.459 1.042 30 10 HDEE N#C[C@]12CN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]1CS(=O)(=O)C2 1656344788 ZEFLUDLZZURPAW-XNJJOIOASA-N 414.314 1.969 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 1662956896 DOMYWMOYARGXCM-MPGHIAIKSA-N 400.545 1.949 30 10 HDEE C=CCC1(NC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CCOCC1 1669081392 HCQPNDGAGCQWIM-HZPDHXFCSA-N 405.499 1.766 30 10 HDEE C=CC(C)(C)CNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1669202439 SUCRKUZQXGWVTP-UHFFFAOYSA-N 402.538 1.506 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(SC)c(C#N)c2)cc1S(N)(=O)=O 1673311972 XAEYXFZUWWPSNO-UHFFFAOYSA-N 420.516 1.936 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCc2nnc(S)n2C2CC2)CC1 1674010233 VAXJYRAKDZDERF-UHFFFAOYSA-N 415.498 1.987 30 10 HDEE C#CCN(C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C1CC1 1675618165 QIMRPFWVVKYOGK-UHFFFAOYSA-N 406.508 1.403 30 10 HDEE C#C[C@H](CC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1682897222 PILGBEHTRZHUMS-MRXNPFEDSA-N 407.515 1.398 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1685153297 OFDOKPACQVVTCY-DLBZAZTESA-N 407.511 1.836 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1689892479 GOJZYWDACYPRHK-SJORKVTESA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689979628 FHDBIBXVQLCKNS-QAETUUGQSA-N 410.540 1.285 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689990240 NDXDYKLTJZINQG-DLBZAZTESA-N 415.519 1.160 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(O)CCCCCC2)CC1 1690152429 KPYAZJMSFUPRIF-UHFFFAOYSA-N 417.554 1.866 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690248277 MDEGCUMTXNZBNF-LMMKCTJWSA-N 403.527 1.649 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1690663865 GZUJMTOVUWVQTO-QFIPXVFZSA-N 411.506 1.805 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnccc1OC 1694737402 COBOKGVDSLTRPE-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1696341268 HQBCZKJPSFXJGI-LJQANCHMSA-N 424.505 1.714 30 10 HDEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCC1 1696603943 BFVUCBGVUTZHHY-UHFFFAOYSA-N 414.535 1.536 30 10 HDEE CNC(=O)CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1696988983 PIQXWVLBGJRZEL-HXUWFJFHSA-N 416.482 1.404 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1705487029 QJHILFPPYCHAHY-CQSZACIVSA-N 417.491 1.167 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705516626 GEEWWWUYWYQJPV-JKSUJKDBSA-N 423.539 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@@H]1C 1705625006 SWUAIOGRPZXHKH-SFHVURJKSA-N 408.506 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1705635322 WEUFIJJAZKQEBW-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCS(=O)(=O)C1 1705799282 RNBJPMMRIXSOOH-HOTGVXAUSA-N 409.556 1.847 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1705825519 WBAYALKPJYEPRA-ZDUSSCGKSA-N 410.500 1.032 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1705834950 WRQKHCYEGRCVRF-ZDUSSCGKSA-N 422.511 1.737 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1705876078 OIMOLNZFIOGAGN-OAHLLOKOSA-N 421.498 1.972 30 10 HDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705947694 UVONFJMJXYKVJK-OAHLLOKOSA-N 419.580 1.767 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1706586385 VZFWTCZLMUGOST-QGZVFWFLSA-N 423.521 1.839 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1COCCO1 1708531372 UHMQXQPWHJMDBC-FUHWJXTLSA-N 411.510 1.800 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn(C)c1 1708954209 DFFAFLUVETXTIH-GOSISDBHSA-N 407.478 1.930 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CCO1 1711362781 FWUCRGGGODTVGL-MAUKXSAKSA-N 410.478 1.195 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@@H]1F 1712838749 UJMRUWGLDGOMBZ-CJNGLKHVSA-N 408.441 1.764 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722331320 CQICCXFDEWODIG-OAQYLSRUSA-N 407.478 1.568 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1722344537 QNQILWIFSFIURB-UHFFFAOYSA-N 402.524 1.531 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1722360384 GPLVHOJCONNONT-MRXNPFEDSA-N 405.524 1.715 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369164 ZGVVGCCMICPPJF-IXDOHACOSA-N 410.540 1.080 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1722411010 WEQAOTZCQCRDPJ-GOSISDBHSA-N 410.522 1.677 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722437991 MPERHIJIFUGJBN-UHFFFAOYSA-N 404.478 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(C)c2C)CC1 1722450492 KKLRSLQOYMBXNN-GOSISDBHSA-N 411.510 1.186 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722523474 VIKYYABZCYLNIK-KGLIPLIRSA-N 408.484 1.026 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722527690 QXYBRHZLQFHKEX-JXFKEZNVSA-N 407.515 1.393 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722530437 UCMPAWPJCCWWES-IBGZPJMESA-N 421.505 1.965 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1 1722705915 KLFGWMQXQYCSCY-UHFFFAOYSA-N 424.505 1.127 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCC2)C1 1722708900 FVKOBSQZKWRWHM-QGZVFWFLSA-N 402.543 1.780 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC(C)(C)C)C1 1722717449 AXJKOYLBEOGHEK-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](COCC)C1 1722727682 PUPMGNSMZIAHMK-DLBZAZTESA-N 412.556 1.983 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)COCCO1 1723187335 XBMVQXJLMZAJIT-NRFANRHFSA-N 411.510 1.800 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1729618510 WOTKZNFGBRFPSB-PMACEKPBSA-N 422.505 1.533 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1730824478 KEEOAQLRRCINAU-HOCLYGCPSA-N 404.515 1.657 30 10 HDEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1730921259 DXBZBIFDGXUZCH-HXUWFJFHSA-N 413.482 1.718 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCCO)C1 1731181831 QGKYHVVWFABKDH-LJQANCHMSA-N 403.414 1.515 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1740600643 PYPVWAXWQNVYDT-UGKGYDQZSA-N 419.570 1.745 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1740631014 NLENRHHONSSTEH-ROUUACIJSA-N 420.583 1.082 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1740867731 UABGJDJSAACMEO-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1C(C)(C)C 1740965332 NXTVZIYIJQLKPJ-INIZCTEOSA-N 401.515 1.672 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740993891 FRNQHRPERGEQRA-CQSZACIVSA-N 423.564 1.198 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1741073807 HBYBKQHLJVGBBC-PMACEKPBSA-N 424.505 1.727 30 10 HDEE CCC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)OC 1745276606 XWRHEEDSXOVNLC-KBPBESRZSA-N 402.455 1.550 30 10 HDEE CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1746355999 DARGWHQNYLJFBT-MRXNPFEDSA-N 403.512 1.185 30 10 HDEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1746565678 DTTUYSOICZRWKE-ARFHVFGLSA-N 419.530 1.986 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1748670872 DEDFHRQOGXWNNU-NVXWUHKLSA-N 402.520 1.889 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748710173 IVLFDADNAKJGJK-AWEZNQCLSA-N 419.507 1.433 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1748763900 CIETWMQJIPBDAW-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748989208 IIOIZGOBJGVYFY-QGZVFWFLSA-N 418.542 1.404 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](CCC)OC)CC1 1749009781 LKJHKTXMHDEFLP-RBUKOAKNSA-N 417.554 1.953 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([S@](C)=O)CC2)CC1 1749015427 VPAHEVFJQZYXTE-LJAQVGFWSA-N 419.595 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N(CC)CC)CC1 1749018998 IAXGYHWVPJPXLK-PKOBYXMFSA-N 416.570 1.826 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C(N)=O)CC1 1749119710 VXENPVBMNDTTIJ-NJAFHUGGSA-N 421.542 1.685 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749209417 XFSWMTQDVHVGPK-XHSDSOJGSA-N 404.471 1.848 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1749303752 OJARJYXLDQCWMU-QGZVFWFLSA-N 417.535 1.895 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1749465625 GRJGQJKLYJALDV-QFIPXVFZSA-N 411.506 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)C[C@@H]1CCCO1 1749732291 UYRXWMIXOSNBNQ-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749734158 FMJSGYDMJUXCMM-INIZCTEOSA-N 424.571 1.024 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1749831560 CQJQPOQGFLMUGG-UHFFFAOYSA-N 419.493 1.545 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1750386955 QIJGTXSPIAFWKU-GUDVDZBRSA-N 418.542 1.138 30 10 HDEE CC[C@@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1752636012 XDDYLCNTUGLXBZ-YKHTYXQRSA-N 402.499 1.933 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760191183 CFQXOGPUZASEOI-YESZJQIVSA-N 420.514 1.297 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(C)c1 1760208928 OHQMYBCBLPHDGE-UHFFFAOYSA-N 420.517 1.618 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCCN2CC)CC1 1760256463 HGACTYPMUDLLKD-UXHICEINSA-N 418.586 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CCN(CCC)CC2)CC1 1760270086 JGJBZKHRDRNJBJ-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760346031 DZLKGHDJUWHELY-INIZCTEOSA-N 421.567 1.738 30 10 HDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)C1 1760351573 IJJWNKYNVDCNFK-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](OCCOC)C1 1760380966 UQTWWVPNQKEFNW-JYJNAYRXSA-N 400.907 1.996 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCCC2(C)C)CC1 1760382651 VQLXOFMCYNFCFH-HNAYVOBHSA-N 411.572 1.986 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccn(C)n2)C1 1760536524 IBJVZEJKWXDOSD-WIYYLYMNSA-N 416.526 1.688 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](OC)C1 1760553333 RONSRVCMDPBMRB-OAHLLOKOSA-N 420.491 1.500 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)COCCO1 1761569376 KZNJPZPMHVLMGG-LJQANCHMSA-N 401.492 1.191 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1770918514 CEHZWVUJEKGIRO-IAGOWNOFSA-N 415.519 1.724 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 1772789828 YBTRVMFXNPBUIK-AWEZNQCLSA-N 418.402 1.753 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC(Oc4cccnc4C#N)C3)CC2=O)cc1OC 1849817784 YZXBQEZYOJWOCI-AWEZNQCLSA-N 422.441 1.613 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1851573427 ZXCPLTVPKNLLFQ-KRWDZBQOSA-N 418.453 1.989 30 10 HDEE COc1ccccc1CN1C[C@@H](C(=O)Nc2ccnc3c(C#N)c(C)nn23)CC1=O 1851591176 QYMUSPRQAOKLSJ-HNNXBMFYSA-N 404.430 1.905 30 10 HDEE CC(C)(CN1CCC(CN2C(=O)CNC2=O)CC1)C(=O)Nc1ccc(CC#N)cc1 1852819765 JWUHBPWALKHKAE-UHFFFAOYSA-N 411.506 1.981 30 10 HDEE Cc1cccc(CN2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)C(=O)C2=O)c1 1852886750 RDZMTHOOHGYLHC-UHFFFAOYSA-N 401.426 1.765 30 10 HDEE CCN(C(=O)c1ccc(N2C(=O)CS(=O)CC2=O)cc1)c1cccc(F)c1C#N 1853137345 BTXAYFULWBROTC-UHFFFAOYSA-N 413.430 1.986 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(F)cc1 1853169455 JCNNIEXCHQDQAX-AWEZNQCLSA-N 400.501 1.458 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3ncccc3=O)C(=O)C23CCCC3)cc1 1853809322 HYRGNGLPWULNAZ-UHFFFAOYSA-N 405.458 1.299 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2=O)C1 1854290704 JCEDXRVWCLZADH-KRWDZBQOSA-N 411.849 1.896 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)[C@@H]1C 1854330539 MESWHSGQKIYTKN-KRWDZBQOSA-N 419.547 1.966 30 10 HDEE C[C@@H](CCC#N)N1C[C@@H](C)C(=O)N(C(=O)CN2CCCS2(=O)=O)c2ccccc21 1854894307 IPYIVMBAFURIHC-CVEARBPZSA-N 418.519 1.730 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1=O 1855375706 SUNMRSDBRPEKEH-AEFFLSMTSA-N 400.479 1.613 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cncnc2)CC1 1855574117 LOEAPXMFTOJLOX-UHFFFAOYSA-N 412.471 1.937 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@@H]2COc3ccccc3C2)CO1 1855783621 JJMXRDZSRNSIKD-DLBZAZTESA-N 414.439 1.657 30 10 HDEE Cc1ccccc1N1C[C@@H](C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)CC1=O 1855854811 XDESKFVBMPMNKB-OALUTQOASA-N 408.502 1.959 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCCC2 1856288075 OAFWYIOGNBGQFR-UHFFFAOYSA-N 423.579 1.750 30 10 HDEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O 1861841965 DWOBMLYNFKVTNG-GOSISDBHSA-N 407.426 1.983 30 10 HDEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCNC(C)=O)C2=O)cc1 1863331616 PBNIFOPPZYBSPD-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CSc2nnnn2C)cc1=O 1870298407 ANYDNMFTWBXZIJ-UHFFFAOYSA-N 411.487 1.927 30 10 HDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1O 1874341179 DEPLJKSBVSZBPL-DGURAOSJSA-N 419.507 1.683 30 10 HDEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc1OC 1874434958 GMOZUJMBCGEJIA-RGVLZGJSSA-N 407.496 1.678 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)ON2C(=O)c3ccccc3C2=O)nn1 1880980936 YQPIKLVDEALUBL-UHFFFAOYSA-N 401.379 1.057 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882624735 KAXRHIZZXKREQI-OFJJUDJNSA-N 422.503 1.423 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 1885966739 BIASTQZWWCHCHC-KBPBESRZSA-N 401.504 1.848 30 10 HDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC(Oc3ncccc3C#N)CC1)CS2 1891087400 XWIFHNKTQAZFNK-HNNXBMFYSA-N 411.487 1.925 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(n3ccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1892102023 PWKZDWLFYUGPHD-RBUKOAKNSA-N 410.503 1.627 30 10 HDEE N#C[C@H]1CN(C(=O)c2nc(=N)[nH]cc2Br)CCN1Cc1ccccc1 1914902002 UNDTXKWNCKBVAJ-ZDUSSCGKSA-N 401.268 1.502 30 10 HDEE O=C(O)[C@H](CCS)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1942094493 FUQCABCWQQRSEW-AWEZNQCLSA-N 414.505 1.145 30 10 HDEE CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@@H](CC#N)C(F)(F)F 2181056047 PBZFZGUDPAFSFK-MNOVXSKESA-N 415.434 1.617 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1CCS1(=O)=O 2186590185 HZNNBWWGFCLJHK-ZYHUDNBSSA-N 400.331 1.149 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3c(F)cccc3F)s[nH]2)OC1(C)C 2235846916 HJVNWAARWBCCQH-UHFFFAOYSA-N 403.241 1.338 30 10 HDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548278 MYPGNCWMNFJVPJ-OAHLLOKOSA-N 409.336 1.582 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825526 FXYIGQSFSKAPEW-JSGCOSHPSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2247831515 ZYMMRTUBFHKPEN-QWHCGFSZSA-N 423.319 1.307 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCONC(=O)OC(C)(C)C)n1 2247838020 BHENVBOAPDMLDI-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247908646 XVYXYVPBZQXTOO-AWEZNQCLSA-N 424.303 1.536 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2247915094 VWXTVEUNAUDKOA-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CCN(CCSC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267412973 URCZSVXWRNOWDH-UHFFFAOYSA-N 406.404 1.957 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CO)C(F)(F)F)c2)OC1(C)C 2267710759 AOKNBDBAFXOELF-SECBINFHSA-N 401.237 1.249 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716046 HFWQITMTWKRKRM-JUZXBQNTSA-N 408.376 1.181 30 10 HDEE C#CC[C@@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270506549 BOXYQLLOYXJCKL-MSOLQXFVSA-N 422.503 1.662 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NC[C@@H]2CCCCS2(=O)=O)OC1(C)C 2282014260 FRNHBZIAQCVDOF-NSHDSACASA-N 400.331 1.139 30 10 HDEE C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336576 FYDSLAUZXWOFTL-TZMCWYRMSA-N 400.375 1.938 30 10 HDEE CC[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282336803 HETYXPCSRCGRSR-CHWSQXEVSA-N 400.375 1.856 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1=O 2282419512 VRGROPNEECGUKE-UHFFFAOYSA-N 420.749 1.163 30 10 HDEE Cn1c(Cl)cnc1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282488337 BVGRRTAFYJQTGX-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CN(C)C[C@H]1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502377 KFIOHDQBMMCKMM-BETUJISGSA-N 400.375 1.666 30 10 HDEE CC[C@@H](N)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506629 VKSRIELBHPJNDM-GFCCVEGCSA-N 403.379 1.331 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@@H](O)C3)ccc2Cl)OC1(C)C 2282511484 MSHVZOZULQUNMZ-GFCCVEGCSA-N 401.721 1.785 30 10 HDEE CN(C[C@@H]1CCCS1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831791 DXEBOHCCFZMCKS-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE C[C@H]1C[C@H](N)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282839902 JWGZEWYPTYCTMB-AAEUAGOBSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CC(F)(CN)C3)c2)OC1(C)C 2282848131 JLYODCIROLUGLP-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284396579 WXQQNSGONRUEIW-LLVKDONJSA-N 403.331 1.825 30 10 HDEE CC[C@@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402571 KAMQZXTXQXUAKU-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC[C@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284406251 VYLITPQUZURLFR-ZDUSSCGKSA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(=O)O)C3CCC3)s2)OC1(C)C 2288224242 BODVLIFPUJYCPW-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cccc(OC)c1OC 2331259604 BIGHSVSMKNTJLQ-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE CCc1csc(C#C[C@H](O)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2338630093 KXCBAQGFSQSPQI-SUMWQHHRSA-N 400.522 1.500 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2362501356 RDMRMBGTPMMYAF-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2365208176 BPVYZYWQXLWKBV-JKSUJKDBSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccc(C(F)F)nc1 2365761202 ZITQAGYFOACOPA-UONOGXRCSA-N 404.435 1.670 30 10 HDEE CCN[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2367297288 PIVQVBXUTGXGDK-UUAJXVIYSA-N 400.541 1.188 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367788405 PCFCOFLKWZLJML-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367830430 IWDPETLRRFELNL-CABCVRRESA-N 402.557 1.599 30 10 HDEE C=CCN1CCN(C2(C(=O)O)CCN(C(=O)OCc3ccccc3)CC2)[C@H](C)C1=O 2371365000 JAASGCDHSLVELX-QGZVFWFLSA-N 415.490 1.961 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2372804312 MSWKODIVNODLAH-KSSFIOAISA-N 404.529 1.810 30 10 HDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccc(F)cc3)n2N)o1 21321355 YYVDZQSTTZYFST-ZVBGSRNCSA-N 403.443 1.887 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C(=O)C1=O 64835495 FLZAGOBBAYDBCC-UHFFFAOYSA-N 411.911 1.350 30 10 HDEE COc1cc(OC)c(OC)cc1/C=N/NS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 169907804 MQAKHUUZLPWINI-GIJQJNRQSA-N 407.404 1.459 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)CC2=O)c1 238821025 CQSGGCCLUIUZFI-LPHOPBHVSA-N 406.442 1.995 30 10 HDEE COc1cccc([C@@H]2[C@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CCN2C2CC2)c1 409487892 WWMBGWPYUQQZJN-GUDVDZBRSA-N 406.508 1.032 30 10 HDEE CNC(=O)C[C@@H](NC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 431117972 LFRJXJHUMHABLW-GOSISDBHSA-N 409.494 1.309 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 434058564 UUGTYRDCVGMRED-CORIIIEPSA-N 419.425 1.387 30 10 HDEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 434545865 CUZTYGLLQATAQP-HXUWFJFHSA-N 424.482 1.651 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cc(C#N)ccn3)cc2)CC1 436000280 CAISQQPNVSLINR-UHFFFAOYSA-N 413.459 1.058 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 461975190 YXHQBJLXMXFAKS-UHFFFAOYSA-N 413.443 1.239 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1nc(-c2ccncc2)no1 465195546 MKUDATLXMVRVTG-CQSZACIVSA-N 404.434 1.463 30 10 HDEE N#CC1(NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCN(Cc2ccccc2)CC1 479307417 NAJFBQXZYZWHBF-UHFFFAOYSA-N 423.517 1.916 30 10 HDEE COc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H](NC(C)=O)C1 479938882 IPFFWRDJJPFOKN-ZDUSSCGKSA-N 410.268 1.835 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2cc3ccccc3n2)CC1 480562532 ZHJHBOXTZXWMMM-UHFFFAOYSA-N 409.471 1.441 30 10 HDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4cc(C#N)ccn4)CC3)cccc2c1 481120598 SQGVDJOUGRBMAA-UHFFFAOYSA-N 421.482 1.957 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 482736773 PPYTVXKKCYNODK-UHFFFAOYSA-N 412.515 1.883 30 10 HDEE CN1C(=O)C[C@@H](NCC(=O)N(CCC#N)CCC#N)[C@@H]1c1ccc(Cl)c(F)c1 493983115 CYYJAZAHIWVHQO-APWZRJJASA-N 405.861 1.996 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 497374819 QJIDRJNMGGCOPX-WBVHZDCISA-N 404.492 1.009 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511416938 UYIDZLAYINBNBY-GTPINHCMSA-N 406.508 1.719 30 10 HDEE CCN(CC)CC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 520899618 SLYAWJQJTYYOKP-UHFFFAOYSA-N 406.552 1.991 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](c4ccccc4)OC[C@@H]3C)CC2)o1 533262900 DHZMWYRCAKSSJY-OXJNMPFZSA-N 409.490 1.965 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 547394992 IVHFLEVXUGSNCB-GFCCVEGCSA-N 405.484 1.422 30 10 HDEE Cn1cc(C#N)c(=O)n(CCCOc2cccc(I)c2)c1=O 551800198 HQVYJVQBTNKYEK-UHFFFAOYSA-N 411.199 1.492 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 552586388 FTOXQAQPPUTGHP-UHFFFAOYSA-N 416.507 1.979 30 10 HDEE CCOC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 555049364 WLPBANWFEFTLNV-SFHVURJKSA-N 415.471 1.300 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(CCN2CCOCC2)CC1 555243969 SRSPFEMDPCYVMP-LJQANCHMSA-N 405.543 1.881 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 555330438 ZNMYGCRUMKHVCY-SJLPKXTDSA-N 415.490 1.225 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)CC1 557767453 NVSIJDVYNSEBKY-UHFFFAOYSA-N 416.522 1.466 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCCCN3S(C)(=O)=O)CC2)o1 580415614 AKXYUJWLOAKOAI-OAHLLOKOSA-N 409.512 1.001 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c(F)c1 586862955 FXRGLQPSUYRASB-UHFFFAOYSA-N 414.481 1.955 30 10 HDEE C[C@H](NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1ccc(S(N)(=O)=O)cc1 589853214 APVHLCFIDUELBE-BBRMVZONSA-N 415.475 1.525 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 604462467 SBMNUYXOKSTNEH-UHFFFAOYSA-N 401.444 1.595 30 10 HDEE COC(=O)CN(CC#N)C(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 609992103 NHODFDJOBFZQGD-UHFFFAOYSA-N 409.368 1.971 30 10 HDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)n1 610028781 FSKICLKYOSBCSR-UHFFFAOYSA-N 412.450 1.344 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)c(F)c1 610462938 FXUGTBIWPIYMND-UHFFFAOYSA-N 409.377 1.004 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NCCC3CCS(=O)(=O)CC3)CC2)nc1 611258029 YTGGPEKCIXBZTJ-UHFFFAOYSA-N 405.524 1.436 30 10 HDEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(C#CCO)c1 703982576 JJYNLBSGVNVBMT-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE C#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 731638438 IKXWXCCBADWQRQ-UHOSZYNNSA-N 418.515 1.747 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccccc1OC(F)(F)F 731851004 CEWXHYGEKGJRFO-BUHFOSPRSA-N 405.354 1.390 30 10 HDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155864 HHNKNCLFBCNNCA-KLQLYEPUSA-N 424.501 1.629 30 10 HDEE N#C[C@@H]1CN(C(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)CCN1C1CC1 732674747 RRBWPEIPEGFUQE-OAQYLSRUSA-N 409.534 1.992 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 732960231 CEQYULVKYUGUDY-KGJFVNAZSA-N 420.425 1.693 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740200134 GATHYGYXCCZADP-LJQANCHMSA-N 416.455 1.856 30 10 HDEE COc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Br 746795778 HUMJVVAQTIQQHW-ZDUSSCGKSA-N 407.268 1.595 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1C#N 747495259 KYYYNQUNIPGSQY-HUUCEWRRSA-N 423.473 1.830 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749289599 ALXFLZSWFSWZIG-GUYCJALGSA-N 413.521 1.499 30 10 HDEE COC(=O)c1cccc(COC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1C#N 756208321 OIYRQWKBMKNRCF-UHFFFAOYSA-N 405.432 1.717 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CCO2)c1 761640919 RSHZROGNNLIKPJ-GOSISDBHSA-N 400.460 1.489 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(F)c(F)c1 764400632 KHCACRCJIUDFDW-JFNVISDNSA-N 419.432 1.536 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(Br)cc3)CC2)CC1 766146211 WHQSXRJPQOWQOO-UHFFFAOYSA-N 419.367 1.344 30 10 HDEE COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766841034 QMZUMCXVTIALSB-QZTJIDSGSA-N 401.463 1.897 30 10 HDEE CN1CCC(C#N)(NC(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)CC1 767980136 BXLCKYRYJXHPCS-MQVJKMGUSA-N 404.511 1.553 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 774195690 RQSXMMASSBCDOX-QAPCUYQASA-N 403.504 1.706 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)cc1 780918844 CPVSTLZFFANFFL-FQEVSTJZSA-N 405.458 1.684 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=NOCCC3CS(=O)(=O)C3)CC2)cc1 790430129 CEXQEALHXJENLL-UHFFFAOYSA-N 416.521 1.287 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)NC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796424083 KDEYRWZEUJEXJA-RHSMWYFYSA-N 401.467 1.214 30 10 HDEE Cn1nccc1[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 799048175 YODQEUIVRMJZBU-MRXNPFEDSA-N 401.492 1.603 30 10 HDEE C#C[C@H](NC(=O)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1)[C@@H]1CCCO1 804671350 ICFDVSXEVQNKTK-BZSNNMDCSA-N 415.490 1.666 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCCC3)c2)n1CC=C 809920227 VVFHEVDPSYYSOE-UHFFFAOYSA-N 409.515 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ncccc3C)n2C[C@@H]2CCCO2)CC1 812268058 GXBIWIWLGCCPGD-SFHVURJKSA-N 408.506 1.793 30 10 HDEE C[C@H](OC(=O)c1cscc1C#N)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 814612908 UVACTZBMANZHFR-MNOVXSKESA-N 407.473 1.690 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncnc(OC)c2OC)cc1 1127161102 JOBGDUCPAARYRO-LBPRGKRZSA-N 420.447 1.271 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F 1136672539 QHYGVNGOHRYNPK-IIZPDRCKSA-N 420.420 1.540 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(-n2cnnn2)c1 1137090680 RHQOOSNYHQPVOV-AWEZNQCLSA-N 400.439 1.916 30 10 HDEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1137215119 NBCWJKNKWNBADO-VIQHNZTISA-N 403.479 1.959 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1 1137757673 PKDXOIBLIZNTKN-INIZCTEOSA-N 410.492 1.698 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1142410150 FWLJNSWLCNKLLO-GOSISDBHSA-N 411.437 1.066 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 1144574085 OZAVFYHQOVDWBT-BBVFFXRHSA-N 401.507 1.419 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1147642772 XHOBHYQSTSRFPJ-AOMKIAJQSA-N 417.506 1.851 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F 1150871687 QAMCZYBAONOXPN-MGPQQGTHSA-N 413.400 1.369 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccccn3)c2)CC1 1152974504 UTUHLUQVUVFXLZ-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)OC)cc1 1158756806 BLWQEVIGKQSDKY-KRWDZBQOSA-N 406.504 1.697 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1160147801 YDVDDEDBABBNJE-MRXNPFEDSA-N 416.455 1.008 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)C(=O)OCC 1171439110 LOZRABAQICRBFN-ABHRYQDASA-N 403.932 1.903 30 10 HDEE C=CCn1c(SCC(=O)CCNC(=O)C(F)(F)F)nnc1-c1cnccn1 1188915054 FQWUCECIDJACBA-UHFFFAOYSA-N 400.386 1.651 30 10 HDEE CN(C)C(=O)c1cccc(NC(=O)Cn2cc(C#N)c(I)n2)c1 1189591903 GRBIPOKZFYGDGO-UHFFFAOYSA-N 423.214 1.700 30 10 HDEE CC(C)CN(C[C@@H](O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(CC(C)C)c1N 1192070072 HMIVKBNFUUCZSL-INIZCTEOSA-N 421.542 1.721 30 10 HDEE C#CC1(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CCCC1 1213515399 RUJTZAVKLAOVRM-UHFFFAOYSA-N 408.448 1.884 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC[S@](=O)CC(F)(F)F 1230864462 VQTDNBSDWWVEMV-MHZLTWQESA-N 404.458 1.942 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3C[C@H]4CC[C@H]3O4)CC2)cc1 1251772020 GIDFOHOHLDSXQJ-ZHALLVOQSA-N 418.519 1.532 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(C)C)CC1 1286350327 ZSWADAZXCDCTHB-GOSISDBHSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCC(OC)CC2)CCCC1 1286358819 QEKBJWNIZJZOAM-UHFFFAOYSA-N 416.570 1.909 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286385916 RDIFPXRPEKTNMR-BRWVUGGUSA-N 408.568 1.753 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1286391371 HPKQSRLYOXLXCB-LJQANCHMSA-N 413.547 1.803 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1ncn(C)n1 1286401682 PWVWSKCULVKOEP-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1nncn1-c1ccccc1 1286414478 XGZOLJWBTBVIKY-SFHVURJKSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCn1nc(C)cc1C 1286414957 GQHZIIKIWUSXRR-UHFFFAOYSA-N 407.522 1.881 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1286432304 DXRDCGAWEDGXQM-GOSISDBHSA-N 414.535 1.037 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1286448583 YNFYIMLRJJROGT-KRWDZBQOSA-N 421.498 1.258 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2nccn2C(F)F)CC1 1286481277 BHYBBTQAMCXSAS-UHFFFAOYSA-N 412.448 1.659 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(OC)CCC2)CC1 1286485662 TZMLTWIMAZTSAA-OALUTQOASA-N 417.554 1.717 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1286598818 DZDZIWDXCDDWCR-DNVCBOLYSA-N 404.471 1.776 30 10 HDEE C=C(C)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286598971 JDEJQYVFSGHWLX-WWMYMODYSA-N 403.527 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCN(C)C2)C1 1286811863 IYQASHMLDIZMEH-YLJYHZDGSA-N 418.567 1.482 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1291218224 PIECHAADPDJCKZ-HUUCEWRRSA-N 418.523 1.370 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnn(C)c1C 1292055002 DILOCHOGPCZQJH-LJQANCHMSA-N 402.478 1.729 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(O)c2ncccc12 1297871599 CMLLCAMBSKCAPI-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H](CO)NC(=O)OCc1ccccc1 1298755817 VKQVWMLWMOZSJC-FQEVSTJZSA-N 411.458 1.821 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCCOC)C1 1300336749 MXXMKRJYFBVGSA-SFHVURJKSA-N 403.527 1.949 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1300382317 PYMPRSSSLUMEFJ-SXLOBPIMSA-N 412.538 1.982 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1300382374 RJWWRQUVTWRCHD-ZWKOTPCHSA-N 403.527 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1CCCO[C@H](C)C1 1300575534 YAJWPZWXMZSTDC-LJQANCHMSA-N 407.522 1.699 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccn(CC)c2=O)CC1 1300703149 AOJQCXONCIWQEZ-UHFFFAOYSA-N 417.517 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1300711881 JLEJVIWMTNLICT-MUUNZHRXSA-N 405.568 1.669 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCOC2)C1 1300741053 LDCSLKYHOSSPSV-QFBILLFUSA-N 410.540 1.364 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1300755224 OSOIQBWCEZRQHN-OAHLLOKOSA-N 422.580 1.405 30 10 HDEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCNS(C)(=O)=O)CC1 1301086329 HVGIKWFAHKEPFD-QGZVFWFLSA-N 419.507 1.496 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301258083 KQMWWBMHIVUCKV-UHFFFAOYSA-N 418.542 1.980 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H](O)C2)C1 1301535735 NOZGQMFPELPISX-RCCFBDPRSA-N 403.527 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1304935510 SPNQMNOTZVIZIT-RURFIKTLSA-N 418.494 1.905 30 10 HDEE C[C@H](NC(=O)[C@@H](C)N(C)Cc1cc(C#N)cs1)c1ccc(S(N)(=O)=O)cc1 1308113400 MTYUAKYWJXBDCL-QWHCGFSZSA-N 406.533 1.965 30 10 HDEE C#CC1(O)CN(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2cc(F)ccc2F)C1 1312148407 OPANCPSFYYTIGQ-SFHVURJKSA-N 420.437 1.847 30 10 HDEE CC1(C#N)CCN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1313256673 KWKSUPJCLQOPEG-UHFFFAOYSA-N 403.487 1.905 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 1313280915 BOQKVENKGXHUGG-GOSISDBHSA-N 402.926 1.834 30 10 HDEE CCCNC(=O)CN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1353449791 MRMBPLUHGDNRPN-UHFFFAOYSA-N 421.339 1.970 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1358929474 ATGWYSOOAWVWAE-INIZCTEOSA-N 404.540 1.580 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(Cl)c2c(c1)OCCO2 1358936879 AJJASEUKKUMSLM-UHFFFAOYSA-N 403.870 1.959 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC(C)C 1358941680 SVNWZYIDZHJVBB-UHFFFAOYSA-N 415.494 1.955 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCN(CC)CC1 1358951360 STMRSWUQTAQOAA-INIZCTEOSA-N 401.584 1.729 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359034150 FHXPPAJTOCIUGI-FQEVSTJZSA-N 422.581 1.858 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)[C@@H](C)CC)CC1 1359039952 BYXNJYIWRRUFPK-MUGJNUQGSA-N 419.570 1.818 30 10 HDEE C=C(Br)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1359080884 HMSLKAPEVIOUAL-AWEZNQCLSA-N 424.274 1.944 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359223707 UAZFFVFYDHAZHQ-GOSISDBHSA-N 407.478 1.623 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1359238206 CFVUCGJWNGNEQG-QKKBWIMNSA-N 410.478 1.354 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359299326 BTXPERNYGXCXEJ-KRWDZBQOSA-N 418.542 1.169 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2OC)C1 1359321214 BZHBSFSCSJLKNK-BRSBDYLESA-N 424.567 1.777 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CC2)C1 1359327186 UYVNMSIETZNMMK-VIXHQSIBSA-N 424.567 1.695 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359331469 AFHHTLXIDZQYLH-HZPDHXFCSA-N 407.540 1.251 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOCC1CC1 1360683036 AXYKDUFXUHQWPP-DYVFJYSZSA-N 414.507 1.147 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 1439963673 MWWJALRWMYAAGX-UHFFFAOYSA-N 414.443 1.940 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)c1 1441880326 FZESNRPNXWWFGX-UHFFFAOYSA-N 424.461 1.420 30 10 HDEE N#Cc1cn(CC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)c(=O)nc1O 1447398858 GTFRJUROBAAWRL-UHFFFAOYSA-N 408.245 1.476 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(Cc2ccccc2)[C@@H](C)C1)c1cc[nH]n1 1451423771 DRAWZBIAJLIHAY-INIZCTEOSA-N 413.478 1.426 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1c(F)cccc1F 1451935420 LKVHDQJGCUILHX-UHFFFAOYSA-N 421.425 1.783 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)C2)C1 1452869110 ZPZHZCFYVIDHAH-FDAGZUDMSA-N 418.494 1.730 30 10 HDEE CCOC(=O)Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[nH]c2ccccc12 1456613907 PXXIILWHJDSYBH-RNODOKPDSA-N 415.471 1.284 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F 1462893099 BLVYEPVOSQESGL-DAOPMYJZSA-N 410.514 1.202 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1463736439 WLPUQSWKKVPGAR-CABCVRRESA-N 400.522 1.483 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCN3C(=O)CSC3=O)CC2=O)cc1Cl 1464326452 IRNAAWRHUDUPJG-LLVKDONJSA-N 406.851 1.376 30 10 HDEE CC(C)[C@@H]1C(=O)NCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1464818790 ZIJWFXOHLRPZON-MRXNPFEDSA-N 405.296 1.740 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CCN1Cc1ccccc1 1465073951 DORXMOIVRWFZKG-CYBMUJFWSA-N 408.867 1.431 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@](CO)(COC)C1 1468136601 CWDBWJZVXXQBLA-JXFKEZNVSA-N 423.535 1.141 30 10 HDEE CC(C)(C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)C(N)=O 1468199936 XCMYXKRLBQTZKK-CYBMUJFWSA-N 409.483 1.877 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3F)CCC2)CC1 1470696744 QIKVJXVZCNRDGW-UHFFFAOYSA-N 408.499 1.042 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2ccc3nc(O)n(CCN(C)C)c3c2)c1C#N 1472482961 YRFMUVUSEDUIFL-UHFFFAOYSA-N 410.482 1.303 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 1473236470 QBTPPRWIOXBXML-INIZCTEOSA-N 415.494 1.488 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1503117036 GWXIVRPBUCLTEW-KRWDZBQOSA-N 416.457 1.041 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H](C)C#N 1503253298 RCZLOWANXNJFBC-CYBMUJFWSA-N 406.468 1.884 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507545935 NIEQJZWCZCKHEC-HNNXBMFYSA-N 415.469 1.736 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(N(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1507626814 PORUKGNRLJSERI-IBGZPJMESA-N 401.536 1.636 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)c1cc(C)oc1C 1507711089 NOGXGRSRPZKLPJ-UTKZUKDTSA-N 402.495 1.986 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCc2cnn(C)n2)CC1 1507725532 XCARIZRAFNHEOU-UHFFFAOYSA-N 420.521 1.470 30 10 HDEE C#CCSCCn1c(C)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1507745841 GIOGTFYXSALXOP-UHFFFAOYSA-N 407.565 1.676 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(O)c1 1507765308 RIWZADXQLVJCRP-IFXJQAMLSA-N 403.508 1.634 30 10 HDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1507830148 SXTRNWRZFYUNAL-AWEZNQCLSA-N 409.494 1.951 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507936800 GYNJMZOOAVQJIR-LAUBAEHRSA-N 418.542 1.843 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507948711 UIFRLHTVYBWTMJ-HOTGVXAUSA-N 402.499 1.023 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507960569 PCHLCSYRCQBOPZ-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507978162 GSQWDZJUDXEDAX-OAHLLOKOSA-N 406.498 1.858 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)cc(F)cc2C1 1508085949 IUMLLFFFJAVTGR-INIZCTEOSA-N 416.432 1.372 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 1508090669 OZCHTPZPBCYATP-GOSISDBHSA-N 418.542 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CCCCC1 1508139547 CPDXWVDXVJLOGA-MRXNPFEDSA-N 409.556 1.847 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512431960 SVZNMDFECSPELD-RMYFCYLKSA-N 411.466 1.415 30 10 HDEE CCN(CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1515737861 XOMDGMZEOKVVDF-KRWDZBQOSA-N 401.540 1.847 30 10 HDEE COCCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1519049566 LKENMPJMFCOLGI-QGZVFWFLSA-N 404.540 1.627 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)CC2(C#N)CCOCC2)CC1 1526731704 ZEJBLIAQQQKNPM-UHFFFAOYSA-N 408.499 1.330 30 10 HDEE C#CCCCCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1529424758 JJPTXYCXBKNKJF-UHFFFAOYSA-N 406.527 1.997 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753883 QCNIHXUREKTQSQ-NHYWBVRUSA-N 402.252 1.917 30 10 HDEE N#C[C@@]12CN(C(=O)Cn3c(C(F)(F)F)nc4ccccc43)C[C@H]1CS(=O)(=O)C2 1538540485 XPYLXVQCTGRSJS-ZBEGNZNMSA-N 412.393 1.452 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc1F 1538932524 BSYZXBWYBWQGMJ-UHFFFAOYSA-N 422.507 1.972 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ncccc1N(C)C 1539237709 JARQJTWTPLXQOB-QHCPKHFHSA-N 422.533 1.901 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CC(C)(C)C2)CC1 1539477248 KNECVHWGVYRONH-QGZVFWFLSA-N 412.538 1.631 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1 1539651062 YLGXCPHRABWJFT-AWEZNQCLSA-N 408.528 1.743 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1539702610 JYUOEZCTRKBESZ-UHFFFAOYSA-N 416.279 1.631 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1539847192 BFGQUKUOQJJOFC-KRWDZBQOSA-N 417.535 1.917 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(=O)NC2CC2)CC1 1540506355 UKWWUSCSSQAKBQ-UHFFFAOYSA-N 405.296 1.286 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540857468 ZMSHYLBUDHAVCY-ZNMIVQPWSA-N 402.499 1.718 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C(C)C)CC1 1540874293 AZATWCRRYRRBNQ-UHFFFAOYSA-N 412.538 1.998 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCOCC2)C1 1540890410 DUILDZHWMHJMIS-CEXWTWQISA-N 405.543 1.532 30 10 HDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1540922672 VPWPWLCLLRGSEF-FTRWYGJKSA-N 421.567 1.564 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNC(=O)c1ccc(Br)cc1 1542238974 KDSQWCBOMRXVGX-UHFFFAOYSA-N 403.236 1.890 30 10 HDEE Cc1cccnc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1542786328 GFZWQNCOTOBJIF-DNVCBOLYSA-N 417.539 1.770 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1542842176 XQWUUXAVSVRPPG-QGZVFWFLSA-N 406.527 1.060 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1543921408 XAPQBVQATRPACP-UYAOXDASSA-N 419.497 1.430 30 10 HDEE C#CCN1CCCN(C(=O)c2cccn3c(I)cnc23)CC1 1544079508 SLIZEXRUOVGTFW-UHFFFAOYSA-N 408.243 1.720 30 10 HDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555470073 XPJHSTUIJGJIQC-MRXNPFEDSA-N 411.466 1.191 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1555715459 CUUTXDKCMJUOJW-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE COCCOCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1555720038 WMRZGGBADZSCLI-CVEARBPZSA-N 419.457 1.949 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(NC(C)=O)nc2)s1 1556406330 DBMJYZFSPJSGHT-UHFFFAOYSA-N 408.505 1.425 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1[nH]c2ccccc2c1C#N 1556788167 JXHDZNBBIVKGKC-UHFFFAOYSA-N 411.487 1.895 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cc(C#N)ccc1F 1557177186 WYLGNMXBMZUQPM-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@H](CC#N)c1ccccc1 1558950761 GVUISQXRHHFXFF-SFHVURJKSA-N 401.488 1.613 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1564690329 QGXZZMHHLXAIOA-SFHVURJKSA-N 410.474 1.646 30 10 HDEE CCC[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nn[nH]n1 1566227039 KGXULJYWSYNERV-ZDUSSCGKSA-N 404.272 1.928 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1C#N 1584365996 QIZAIVBFBWMZMJ-UHFFFAOYSA-N 400.420 1.646 30 10 HDEE COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132513 QBTFQANSOVTKDR-VBHSOAQHSA-N 408.501 1.351 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCO1 1585431746 KCLDECXKMFONHJ-CBHXRGPZSA-N 403.504 1.840 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1587568418 PZCQDCXSRQWOML-KKSFZXQISA-N 419.526 1.867 30 10 HDEE C[C@]1(C(F)(F)F)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1587649083 DPFIKSHANCBTAC-MRXNPFEDSA-N 419.425 1.685 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCCC 1587667217 FIDFYBUWMSGVQU-CQSZACIVSA-N 402.524 1.644 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2c3ccccc3C(=O)N2C)ccc1F 1588132262 PAOFUTXHIODCQG-KRWDZBQOSA-N 417.462 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(F)c1 1588180089 ASHAPCJBXBTFRX-OAHLLOKOSA-N 403.483 1.539 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)COCCO1 1588604940 SQYAGIDZLHPJJC-LJQANCHMSA-N 405.886 1.885 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1588646845 NQBVLLNAQUTXLN-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCSC1 1588695853 IXBHQJIWSBIGBQ-HXUWFJFHSA-N 420.510 1.950 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1594962365 KIXRJJUVSASMOE-LIRRHRJNSA-N 408.499 1.849 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(C)=O)C1 1595745419 RTBADLYXNVUVRG-GOSISDBHSA-N 401.515 1.447 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@]3(C#N)CCCOC3)c3nccn32)C1 1597511419 XWABQVAMZRBRTQ-LIRRHRJNSA-N 401.467 1.710 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)C1 1598208734 QVJFZNXRDWKQRS-IEBWSBKVSA-N 416.449 1.194 30 10 HDEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1607490271 VPOZLZXWXNGKPQ-AWEZNQCLSA-N 410.430 1.193 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4ccnc(C#N)n4)C3)[C@@H]2C1 1612803360 VMDDQDOANMGGRB-MCIONIFRSA-N 400.439 1.367 30 10 HDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1614276747 JRWKFAVLZLBZND-AATRIKPKSA-N 407.522 1.993 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1617043469 RNBDWCJYOVBHLU-CYBMUJFWSA-N 401.492 1.599 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS1 1618308855 GKGUNYXRLAYEBG-INIZCTEOSA-N 420.564 1.698 30 10 HDEE C=CCC[C@H](NC(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1624304459 WOIUAGALKQWPFQ-AWEZNQCLSA-N 407.471 1.698 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(c3cc(F)ncn3)CC2)cc1Br 1624644740 AIKCLLLGYPZITQ-UHFFFAOYSA-N 420.242 1.977 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1626077704 UITATEBANGOAPM-ZIAGYGMSSA-N 423.466 1.669 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1629068632 JOJVIHQOAOJDBZ-MRXNPFEDSA-N 403.483 1.532 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCC[C@H]3CNC(N)=O)C2)C1 1632250235 QOOVLZPOVPWAEG-AQZMIJIOSA-N 419.526 1.823 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)C1 1634555442 YBZCKRUJBQCPKW-CYBMUJFWSA-N 404.264 1.259 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636696234 LCXSTKILTDEPBK-DADMQRQGSA-N 403.504 1.064 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1636699543 NXZPWLDABMRBGG-AVRDEDQJSA-N 421.497 1.943 30 10 HDEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1 1636950353 VIWZYAQINSHSCL-UHFFFAOYSA-N 400.504 1.725 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1cncc(C#N)c1 1638835489 NWMGBUOGRGHICM-KJEVXHAQSA-N 406.364 1.555 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](OC2CCCC2)C(F)(F)F)c1 1638905192 GEHAYPUQYAHKSA-HNNXBMFYSA-N 419.425 1.843 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1638922710 USFHOVACPSKAAO-IRXDYDNUSA-N 409.527 1.683 30 10 HDEE CCOC(=O)c1ccc(N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)nc1 1638989878 ICLVPTONBQCKKG-UHFFFAOYSA-N 401.467 1.410 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cnnn1-c1ccccc1Br)C(=O)OC 1639559247 VVXXOCCTQLIUDS-GFCCVEGCSA-N 409.240 1.504 30 10 HDEE CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1640179053 MOQNLGJXCBHREJ-ABAIWWIYSA-N 400.403 1.486 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1643563166 UWTVAVFOAAFLGS-QGZVFWFLSA-N 423.966 1.908 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2CCOC[C@]2(CO)C1 1644676772 MXACQMGCRZLNDT-QVKFZJNVSA-N 418.563 1.595 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 1646113064 XMBMLGQCLULRNE-GOSISDBHSA-N 417.531 1.084 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1ccc(F)cc1F 1646257284 DYESYMPYVADBDC-PIGZYNQJSA-N 409.414 1.353 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2c(C(=O)OC)cccc21)c1cc[nH]n1 1647760985 KILWCMDLZAFPHP-UHFFFAOYSA-N 400.391 1.069 30 10 HDEE CC(C)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(C)c1 1648220310 BPUXTDDIQOOSAZ-SFHVURJKSA-N 403.508 1.752 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)CC1 1648265576 SIOIPDOAPSYVAY-ZCNNSNEGSA-N 418.582 1.978 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)C1 1648358608 ZBYYUCRYUCMVSJ-MRXNPFEDSA-N 404.264 1.184 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCOc1cccc(F)c1 1648458446 JFDMTCZUGWCSOP-AWEZNQCLSA-N 405.451 1.949 30 10 HDEE N#C[C@]12CN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C[C@H]1CS(=O)(=O)C2 1648503776 VJTZADSXEAKJNX-MEDUHNTESA-N 412.302 1.944 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)cc1 1651325714 SKIGWGIRUDTCMI-QGZVFWFLSA-N 421.906 1.865 30 10 HDEE COC(=O)[C@@]1(CNc2cc(Br)c(C#N)cc2F)C[C@@H]1S(C)(=O)=O 1651383793 NWPDXDGXSVSFLJ-GXTWGEPZSA-N 405.245 1.848 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)C1 1653281715 ZLUCTAGEAFBFCQ-UHFFFAOYSA-N 404.875 1.985 30 10 HDEE C=C(C)[C@H](CO)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1653888259 PSPPQAGCXZCNKW-BZSNNMDCSA-N 408.543 1.791 30 10 HDEE C#C[C@H]1CCCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1654037225 ZHJHKAZMBFHNIT-OALUTQOASA-N 403.548 1.562 30 10 HDEE C#C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1654868006 PETLYRYHBLTCMZ-ZWKOTPCHSA-N 419.547 1.688 30 10 HDEE COC(=O)c1cccc2c1CN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 1659147285 MKTKGXXEKJQUGW-UHFFFAOYSA-N 423.473 1.348 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1659644860 NJYZLCJDYWAXBG-ZDUSSCGKSA-N 417.306 1.132 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cscc1Br 1661544795 OMPNKEMXUSBVRB-SECBINFHSA-N 400.341 1.874 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(F)c1Br 1666566906 QXFIGSYNOOEFMW-LBPRGKRZSA-N 424.313 1.540 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(F)c2S(C)(=O)=O)n1 1672385118 OGGAVPDFVLSDLZ-UHFFFAOYSA-N 408.455 1.739 30 10 HDEE C=CCN(C(=O)Nc1ccc(OC)c(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 1678451773 SIKPWKZHLSXOIT-ZDUSSCGKSA-N 402.494 1.306 30 10 HDEE C[C@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1681283361 KBRXBJMWSCUJKN-LIRRHRJNSA-N 401.488 1.991 30 10 HDEE N#CCCC[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccccc1 1681503481 FWQWOVVYARAMHC-KRWDZBQOSA-N 416.507 1.861 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1683190021 KSTNKILZCUPMGT-DLBZAZTESA-N 411.524 1.270 30 10 HDEE C#CCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@H]2CS(=O)(=O)C[C@H]21 1685948770 GWFIWRNVMRAVML-ZRSRNVLSSA-N 404.532 1.229 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCOC2)CC1 1690146657 SZKWJAYRMZFAQL-FUHWJXTLSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](c2ccnn2C)C1 1690154211 KGNCJDHEVMVKRA-INIZCTEOSA-N 415.567 1.900 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1690522959 QUOVJHZPPDGIMW-UHFFFAOYSA-N 405.528 1.339 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1691183076 RCVNWRYZUZKGDW-QZTJIDSGSA-N 404.559 1.832 30 10 HDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1693382350 SFMWHNHYVRJUBV-DOTOQJQBSA-N 419.555 1.761 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1696499162 CTEBKAQNVOWZJT-GOSISDBHSA-N 421.502 1.035 30 10 HDEE COCc1nocc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1697834678 PBSIQNCNAZNVKS-KRWDZBQOSA-N 421.461 1.920 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705569020 CDOMSMBDIQECAV-AWEZNQCLSA-N 413.425 1.453 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1705612351 FJUMFHMTOQSQAQ-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1c(C)nc2ccccc21 1705627779 PGVXLRIGLSNMDA-SFHVURJKSA-N 421.505 1.674 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCOCC2)CC1 1705640983 MDYAHJNJZUKNAO-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1COCCO1 1705710862 SIXNNDPHONQXHP-CABCVRRESA-N 401.533 1.096 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705726983 VEEHZUVBHDIDIR-OAHLLOKOSA-N 424.596 1.976 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705739599 LLMUCPUNYLCYDJ-FGTMMUONSA-N 403.527 1.854 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1705834153 FFORUPOMMFLTOG-AWEZNQCLSA-N 403.512 1.515 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705903287 SAVYFYATKBILCK-XHSDSOJGSA-N 402.499 1.069 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)cc1OC 1711775159 LHDSGZHAMQFYIK-MRXNPFEDSA-N 401.467 1.854 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[C@@H]2CCOC2)cc1 1712881238 YLOQZYLMUIXMHD-QGZVFWFLSA-N 410.478 1.482 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@]2(O)CCO[C@@H]2C)c1 1722304757 GCENKWVFLRTUED-OPAMFIHVSA-N 411.506 1.998 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C1CCCCC1 1722341493 GTHOAHDWLDRVSW-UHFFFAOYSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1722341685 LVZYXVYXOOZOBF-UHFFFAOYSA-N 418.523 1.156 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCNC(=O)OC(C)(C)C)CC1 1722442565 ZFHMRHDLMUZEFR-UHFFFAOYSA-N 406.531 1.485 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722458283 YUAJYHFEKXSVKE-MRXNPFEDSA-N 410.507 1.203 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)[C@H]1CC 1722506070 DKJSNEDZMRZPFB-TVFCKZIOSA-N 403.527 1.868 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1722687803 KZHSZBLUGMXGGP-UHFFFAOYSA-N 412.469 1.574 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)CC 1740612798 IWUTXGZPOHIPPA-HSZRJFAPSA-N 410.566 1.873 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1740617791 XJCZZTRHEYNZFS-MRXNPFEDSA-N 405.524 1.876 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740637197 TYVFZMCQORJYIE-INIZCTEOSA-N 409.494 1.969 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC2CC2)c1 1740653329 IXNGQBWPQBPMDG-LJQANCHMSA-N 418.501 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1740653751 XHMHEHCGCMHHHE-IBGZPJMESA-N 417.517 1.736 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1740672700 QVLHXASONGZUBX-HXUWFJFHSA-N 421.549 1.823 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(OC)nc2)CC1 1740701648 AJSVFGSLKJJTES-UHFFFAOYSA-N 410.522 1.993 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740810688 FFVKRMFIOAKLDY-RBSFLKMASA-N 400.932 1.796 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1740868646 PKNSOIDOAHGHJL-ILXRZTDVSA-N 401.533 1.095 30 10 HDEE CC[C@H](C)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)OC 1743535119 GZIDRQCPLGDLIK-WBAXXEDZSA-N 401.515 1.930 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747540477 GQMJQVNAGLDOKO-MRXNPFEDSA-N 411.466 1.143 30 10 HDEE CN(C)[C@]1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1747566268 DLPSLJLKAXCGJI-ROUUACIJSA-N 404.519 1.558 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 1748032112 KZWFLKFVLXOKJY-NWDASVTGSA-N 412.530 1.844 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)c1 1748576983 REYBMXPJPAMRMJ-UHFFFAOYSA-N 422.445 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOCC(F)(F)C(F)F 1748685020 SXNRHPTVUFDQJJ-LBPRGKRZSA-N 405.396 1.775 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@]1(N2CCOCC2)CCSC1 1748839590 YTVZYBMDPIYFNU-JOCHJYFZSA-N 422.558 1.621 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1748844504 UADBAOJXYYMFKO-OAHLLOKOSA-N 410.444 1.576 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749040343 UXSKMGUPPFGGAH-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1749599431 FFYQZJAYWRJICS-HNNXBMFYSA-N 421.523 1.271 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccco2)CC1 1749650465 YAMNUQDVEYPJQL-RDJZCZTQSA-N 401.467 1.744 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749676492 RZTXAQJQLYIGBT-INIZCTEOSA-N 406.494 1.294 30 10 HDEE Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)n[nH]1 1751791025 CETNFFGFURASIY-QGZVFWFLSA-N 401.475 1.745 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C1CC1 1760205904 MLVLYXJVBQSIOI-HSZRJFAPSA-N 419.533 1.686 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCSC1 1760250959 UBXYPOLZJZNTSK-OAQYLSRUSA-N 416.547 1.832 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCCCC2)CC1 1760258900 DRFJGIZRGKPVKN-LJQANCHMSA-N 400.571 1.802 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)C1 1760543444 PDMPJNVTARPCEW-SJORKVTESA-N 410.540 1.554 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cn(C2COC2)nn1 1764079252 XUPWEDYJSBFFLT-CYBMUJFWSA-N 415.502 1.003 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1764568245 AXIMXGGQHBOELK-ROUUACIJSA-N 421.505 1.590 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CCC1 1767188829 JPDCJWBOBWLELG-HZPDHXFCSA-N 420.514 1.037 30 10 HDEE CN(C)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768439342 IIRXROXIOPUGOG-SJLPKXTDSA-N 415.542 1.217 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CC(=O)N1CCOCC1 1768632831 AKMALWHKXGPOFC-UHFFFAOYSA-N 417.473 1.707 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC2)c1 1770308405 FHXPQIOAZUXLGQ-GDBMZVCRSA-N 417.491 1.114 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccsc2)CCO1 1770746662 IUMXPIUDMZBNBR-HNNXBMFYSA-N 409.475 1.958 30 10 HDEE COC[C@@H](F)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1770801901 SDSQSTOZCAFJTP-LIRRHRJNSA-N 401.421 1.943 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1C 1772789041 MVTMMLAJHJQPQL-UHFFFAOYSA-N 402.428 1.726 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1)[C@H]1CCN(C)C1=O 1850863165 QDCALHJZRASHDS-BBRMVZONSA-N 405.882 1.947 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cnc2c1C#N 1851395696 HOVRGZXRFZQTCQ-UHFFFAOYSA-N 418.457 1.905 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3COc4ccccc4C3)c(C#N)cc2C#N)CC1 1851475942 DRZDNISKBNCYSX-SFHVURJKSA-N 402.458 1.767 30 10 HDEE Cc1c(CN(C(=O)c2ccc(C#N)cc2)[C@H]2CCc3nn(C)c(=O)cc3C2)cnn1C 1853422562 FSMZKSYIHXOTQC-FQEVSTJZSA-N 416.485 1.894 30 10 HDEE COC1CCN(C2CN([C@@H]3CCCN(C(=O)c4ccc(C)c(C#N)c4)C3=O)C2)CC1 1853868911 XMMQMMJJGWCDBZ-OAQYLSRUSA-N 410.518 1.793 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854418581 HZTAUYBMTFGMQL-OAHLLOKOSA-N 401.504 1.988 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854448195 GOPMRTAQYGKVCE-IRXDYDNUSA-N 424.567 1.476 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 1854642699 VJRHZCWVZMELHQ-JKSUJKDBSA-N 404.536 1.547 30 10 HDEE CCc1ocnc1C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854799795 VDKDTVWLZNJWPN-INIZCTEOSA-N 409.446 1.788 30 10 HDEE COc1cccc2c1C[C@H](C(=O)N1CCN([C@@H]3CCN(CCC#N)C3)CC1=O)CC2 1855019770 WQVXHRSNTCDCFV-RTBURBONSA-N 410.518 1.459 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)c3ccc(-n4cnnn4)cc3)C1=O)CC2 1855101186 WUYGKZQEWDPSIT-WMZOPIPTSA-N 405.462 1.419 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc3n(n2)CCCO3)CCN1CC(=O)c1ccc(C#N)cc1 1855142155 KGTMUBUXUNGMFQ-AWEZNQCLSA-N 407.430 1.093 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855476230 VPOXFZCBRRCJRE-JKSUJKDBSA-N 422.526 1.969 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@H](C)CCC#N)CC2=O)cc1 1856408819 UTKDNLVTIIRZNI-QGZVFWFLSA-N 405.520 1.912 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4cnccn4)C3)C2=O)cc1 1856454110 XDQHTTAPDMZIBC-PKOBYXMFSA-N 405.458 1.880 30 10 HDEE Cc1ncc(C(=O)O[C@H]2CON(S(=O)(=O)CC#N)C2)c(C)c1Br 1856853973 XHGPQSBIFWUEOW-SNVBAGLBSA-N 404.242 1.087 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)c1 1856954330 PCBRYVZQSYMPRN-RTBURBONSA-N 412.490 1.598 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)n1 1857117148 MWKPRZGDAXAQFB-MJGOQNOKSA-N 412.490 1.598 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1857224180 ZGTWGDOBMBIRJT-SFHVURJKSA-N 417.531 1.851 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@@H](C)S(=O)(=O)CC3)CCC2=O)cc1C#N 1857365384 CIUSJOGAUISCJI-IAGOWNOFSA-N 417.531 1.755 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCCS3)C2)C1 1857477560 NEKHZIQXUILFEF-KSSFIOAISA-N 400.504 1.677 30 10 HDEE COCCNS(=O)(=O)c1ccc(CN=c2[nH]cc3c(c2C#N)CCCC3)cc1 1859511230 UJPWXCOQIXEVKJ-UHFFFAOYSA-N 400.504 1.791 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1862130754 JANHCHFDGDWETG-CQSZACIVSA-N 419.478 1.148 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H]2CCCO2)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711915 WBJZOOONBHZWLG-KRWDZBQOSA-N 424.505 2.000 30 10 HDEE C=C(C)CN([C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CC 1872271129 GCTSQCUTGBUXCD-QGZVFWFLSA-N 408.568 1.993 30 10 HDEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CCCO1 1874444738 JOKGYLFSKOMPJK-IDTCLIEOSA-N 421.479 1.615 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)CC1 1889365401 KKGSTNPUVAITSD-UHFFFAOYSA-N 411.546 1.884 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3ccc(N4CCN(C)CC4)nn3)CC2)c1 1890119876 LAUNPZMFIJEXEE-SFHVURJKSA-N 419.533 1.818 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)CCOCCNC(=O)OC(C)(C)C 1962329529 HXPAJIFLRASVII-UHFFFAOYSA-N 401.323 1.698 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 1984869690 PAIIVKFSKGLSAZ-MSOLQXFVSA-N 417.506 1.995 30 10 HDEE CC1(C)OB(c2cnc(N3CC(n4cncn4)C3)c(Br)c2)OC1(C)C 2116136753 OCFZKERMKWKNDK-UHFFFAOYSA-N 406.093 1.796 30 10 HDEE O=C1NC(=O)N(CC#CBr)C(=O)[C@H]1c1ccccc1Br 2198126872 DGXZVXDGIOANIL-JTQLQIEISA-N 400.026 1.967 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H]2CC2(Br)Br)CCOCC1 2224832453 IELQACJHTLXMOG-VIFPVBQESA-N 416.135 1.732 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384263 MWFSQULOAZCEGJ-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC1(C)OB(c2ccc(F)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247898484 DYKNNNUKJHSOBB-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267369179 SXAWGNBXFBYGPM-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CSC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269030073 JKEODKREEJWTTL-JTQLQIEISA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCC[C@@H]3S(C)(=O)=O)ns2)OC1(C)C 2282002878 VDJIDZNDQJVXQG-JQWIXIFHSA-N 400.331 1.138 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282144588 ZHHBGSFZCCJGFB-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE CC[C@H]1NCC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282327610 KYNYONWCGFWAIZ-OLZOCXBDSA-N 400.375 1.775 30 10 HDEE CN(C1COCCOC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489011 BPHJRJJKOLSCFX-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](CN)C2)c1B1OC(C)(C)C(C)(C)O1 2282490768 KTDLWYABYFAFJJ-ZDUSSCGKSA-N 400.375 1.633 30 10 HDEE CC1(C)C[C@@H](CO)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491306 NIGBQGVAEQDDGB-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282571660 DHMVSVRWZHBPPY-HIFRSBDPSA-N 405.304 1.333 30 10 HDEE CS[C@@H](CO)[C@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602952 ZOUWPBGSCCFCIJ-GWCFXTLKSA-N 400.737 1.876 30 10 HDEE CN(C)CCN(CCO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282611061 GKXWWUPGNFLKGR-UHFFFAOYSA-N 402.753 1.697 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CNC[C@H]3C4)cc2Cl)OC1(C)C 2282830873 AZILBRRJTIRFRH-GHMZBOCLSA-N 418.777 1.683 30 10 HDEE C[C@H](CO)CC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282863879 XNZVAJRGFFDAOY-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282876443 DCUFRRSNWIVPER-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](Cc1nccs1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284397623 OGFCJZUXVWOGKV-NSHDSACASA-N 402.303 1.246 30 10 HDEE C[C@@H](CCCC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284413072 GMVFYSVGKHWVJV-NSHDSACASA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(C)CCC[C@@H]2O)OC1(C)C 2286910412 CAVABMAZBSVATR-GUYCJALGSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@H](P(C)(C)=O)C3)ns2)OC1(C)C 2289230911 CHLWFSNOIWDSBA-CYBMUJFWSA-N 400.246 1.864 30 10 HDEE COc1ccc(CN2C(=NC(=O)[C@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 2297748661 SBUZTPLJWLNWOQ-ARFHVFGLSA-N 410.517 1.471 30 10 HDEE C#Cc1ncccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2322513826 BMGGNRNKQFUBTP-INIZCTEOSA-N 403.416 1.184 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C(C)(C)C 2365171716 NKKMMKKUDKCMKL-IFXJQAMLSA-N 401.525 1.779 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1 2365209777 XGBGYCMDTAKORF-BEFAXECRSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@H](N)C#Cc1ccc(C(F)F)nc1 2365824368 QSCBYYMXHVXSRY-OCCSQVGLSA-N 403.451 1.636 30 10 HDEE CN1CCC(C[C@H](O)C#CC2(S(C)(=O)=O)CC2)(NC(=O)OC(C)(C)C)CC1 2367788179 NVGFDKORFOSPSP-OAHLLOKOSA-N 400.541 1.307 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2379870029 WPVSRULCTZPQAO-ZDUSSCGKSA-N 402.391 1.926 30 10 HDEE CS[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2381815463 BGXFDAZNXLIWSP-QWHCGFSZSA-N 401.363 1.234 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=O)/c(=C3\C(=O)Nc4ccccc43)s/c2=C\C#N)cc1 9561881 GYIXTBVJQOFIEN-JNRXIYRCSA-N 416.462 1.312 30 10 HDEE COc1ccc(OC)c(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 54264278 CJRZVISQMRUNSQ-UHFFFAOYSA-N 417.487 1.868 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)NCCOC)CC[C@H]3C)cc2C1=O 57320464 AJYCDZPZINFQOZ-ZBFHGGJFSA-N 413.474 1.472 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 102756807 HOEKDGIMSQHFRO-HQMFNGAOSA-N 410.474 1.780 30 10 HDEE Fc1cccc(Cl)c1C=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1 252607860 HFSCULGRAOKAPA-UHFFFAOYSA-N 421.864 1.783 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC2)s1 410144880 IMKZMLWMTYAEGV-ZDUSSCGKSA-N 415.541 1.168 30 10 HDEE CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N[C@H]1CCS(=O)(=O)C1 426385457 OAVQKRQPAGQMCA-INIZCTEOSA-N 402.438 1.682 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 466188325 JFMQGCAFQUXXKB-LPHOPBHVSA-N 404.474 1.979 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)cn1 474214179 RHAUTVWGLMPRGV-UHFFFAOYSA-N 416.850 1.953 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 487059923 PDUYPOVGQRWWPB-OALUTQOASA-N 419.489 1.417 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1 498386600 QJNGNKBKEFJPMF-INIZCTEOSA-N 402.451 1.960 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 508510342 QIIXZUCJRVAZMY-MRXNPFEDSA-N 421.505 1.382 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 511144788 LBCRNKMBPFUVOA-CRAIPNDOSA-N 410.515 1.817 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nc(-c3ccco3)nc2SC)CC1 530860969 HPRRFMHCKJNMRC-UHFFFAOYSA-N 415.519 1.827 30 10 HDEE C[C@H](O)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 533303455 YCNZWXQMYZFEDO-HNNXBMFYSA-N 413.478 1.548 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1 536344157 VBODABAJEBDEAP-SJORKVTESA-N 412.533 1.000 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](c2ccccc2)N2CCC(O)CC2)CC1 541406888 AQDRXWOTIKTXJG-OAQYLSRUSA-N 405.502 1.800 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCc1nc(-c2ccnc(S(C)(=O)=O)c2)no1 547091779 HXJZHWUUAGPUEW-UHFFFAOYSA-N 423.458 1.852 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553540509 QFDYZXOUKFOZLX-AWEZNQCLSA-N 402.451 1.639 30 10 HDEE CN(C)C(=O)COc1cccc(CNCCS(=O)(=O)c2cccc(C#N)c2)c1 554798027 KIHRRAAPHAEQHB-UHFFFAOYSA-N 401.488 1.589 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)Nc1ccn(CCN2CCOCC2)n1 564162812 ALGYKWJATDRLAZ-UHFFFAOYSA-N 412.494 1.767 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 564380756 SLSQCJQCOIRMSG-ZDUSSCGKSA-N 405.422 1.767 30 10 HDEE CCN(CC)CCS(=O)(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 572685384 RNFIZDTZUOCBSZ-UHFFFAOYSA-N 401.536 1.900 30 10 HDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)NCCOc2ccc(C#N)cc2)c1 573037455 VNOJTYAXIWYROT-UHFFFAOYSA-N 402.476 1.687 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 585355825 QIRRARUPEGJKRO-UHFFFAOYSA-N 416.459 1.788 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1 585485974 HNGIJYFTVRUJKY-UHFFFAOYSA-N 421.486 1.998 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N[C@@H](C)CC)cc2)CC1 605410255 BVADMJUCCVTFOC-INIZCTEOSA-N 401.511 1.667 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 609345678 HXBWXPXNBGSIJB-KRWDZBQOSA-N 417.473 1.646 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)CC1 609432058 IAPKLKMCQQBSGQ-UHFFFAOYSA-N 424.954 1.776 30 10 HDEE Cc1cccc2c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c(C#N)cnc12 610245821 VTLIMXNRQUBXAJ-UHFFFAOYSA-N 401.492 1.114 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H]2CN3CCCN2CC3)CC1 619874135 ZOVDCLPXJRYXDB-QGZVFWFLSA-N 424.505 1.529 30 10 HDEE C#CCNC(=O)C1CCN(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CC1 728560818 KNODZHSYWJGXHC-IBGZPJMESA-N 422.407 1.415 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 730097773 KLTIESHPKIHEJW-CGTJXYLNSA-N 419.503 1.637 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 730140248 VHTZRIFMQJZBOX-MRXNPFEDSA-N 408.524 1.341 30 10 HDEE COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N2CCOCC2)cc1 732701068 OXNBZKWDCIOCRA-TZIWHRDSSA-N 413.522 1.450 30 10 HDEE CN(Cc1nc2c(s1)CCCC2)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 747437891 BZKDMBIJBYEXJF-UHFFFAOYSA-N 404.517 1.719 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 760413980 HXDUFFPMHWBUFE-UHFFFAOYSA-N 415.567 1.715 30 10 HDEE C#CCN(C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)[C@@H]1CCS(=O)(=O)C1 771826176 MTWZGXLZANKIIM-QGZVFWFLSA-N 424.482 1.603 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccccc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 774185625 GZBAHFRLYPIFQO-QGZVFWFLSA-N 405.520 1.496 30 10 HDEE Cc1cccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780207879 YKTNZGGOVSCANK-NRFANRHFSA-N 404.426 1.749 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(N)cccc1I 780279992 ZCIYQWXBWWINFQ-QMMMGPOBSA-N 417.203 1.431 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc1 780591794 WRRQGQSBTRNWNJ-PMACEKPBSA-N 404.474 1.351 30 10 HDEE C[C@@H](OC(=O)[C@H]1COCCN1CC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 786943677 BRUJKEVURLZEOX-ZWNOBZJWSA-N 413.446 1.945 30 10 HDEE CC(C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)=C1CN(C(=O)OC(C)(C)C)C1 788536801 OLZQQIONOAWXRT-UHFFFAOYSA-N 414.510 1.816 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(Cl)nc3ccccn23)n1 788695190 GOXSBRXQMUZHMP-UHFFFAOYSA-N 407.883 1.655 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 788695568 UZUHNGUXYUIAIA-UHFFFAOYSA-N 407.540 1.823 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 792747696 MXYLRTNMBVYKNC-JICHNDPSSA-N 415.563 1.404 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 798531962 AAFUIGWKBPERQQ-KBAYOESNSA-N 403.504 1.008 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCC2CCC(C#N)CC2)CC1 799368247 SDVCIDXAZTWPTL-UHFFFAOYSA-N 407.515 1.695 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 803699115 RFYFAQIILHIIIX-MRXNPFEDSA-N 407.513 1.470 30 10 HDEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 803700338 LQRDJRGIAQSTGI-CQSZACIVSA-N 420.487 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3cnccc3C#N)CC2)C1 814144733 XNNXFYONOLSAMR-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)c2)NC(=O)NC1=O 1116860111 DFNLEOYUXXMHAO-VGSWGCGISA-N 401.426 1.612 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCC(OC[C@H]2CCCO2)CC1 1124649958 AQFPUMHSWWCJNA-UYSNPLJNSA-N 403.483 1.811 30 10 HDEE C[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1130750484 QMSJSHQGXPJEPY-MGPQQGTHSA-N 412.416 1.893 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](C#N)C3CCCC3)cc2)CC1 1132849342 CHKAJOCGNYHPIE-IBGZPJMESA-N 418.519 1.352 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)CCCOc1ccc(C#N)cc1OC 1132976976 KCDHYMLEMKQLRZ-OAQYLSRUSA-N 405.495 1.531 30 10 HDEE N#C[C@]12CN(C(=O)Cc3coc(-c4ccc(Cl)cc4)n3)C[C@H]1CS(=O)(=O)C2 1134429208 RZUBYHXSUIHMEE-SCLBCKFNSA-N 405.863 1.934 30 10 HDEE N#Cc1cc(C(=O)NC[C@H](O)COc2ccc(I)cc2)co1 1137408983 QNPVPLAVQDAFNE-LBPRGKRZSA-N 412.183 1.926 30 10 HDEE COC[C@H](O)CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138030229 XHRLBBQRZUXVGP-SJLPKXTDSA-N 403.479 1.906 30 10 HDEE N#Cc1cc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1139854524 ADHVWBVYQIWGRN-UHFFFAOYSA-N 411.487 1.869 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3cccc(F)c3)cn2)CC1 1144026886 LWRYYLCSQJTSBJ-UHFFFAOYSA-N 410.449 1.910 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1153158600 CVXWKGLMFJHDBW-UHFFFAOYSA-N 402.476 1.968 30 10 HDEE N#CCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])CC1 1163624045 OFBJBPMKSWBZLI-UHFFFAOYSA-N 421.479 1.332 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(CCC#N)CC3)C2)C1 1171874573 KBDPVXSWZMBJTF-BQIYRTECSA-N 401.511 1.831 30 10 HDEE Cc1ccc(C(=O)NC[C@@]23COCCN2C(=O)OC3)cc1B1OC(C)(C)C(C)(C)O1 1174568717 CIJPIOGOAWGIIJ-NRFANRHFSA-N 416.283 1.245 30 10 HDEE CC(C)CN(C(=O)CN(C)[C@H]1CCC[C@@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1175251814 YKTMDDUPIQBFLF-CVEARBPZSA-N 418.542 1.800 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1286297330 VVPPBMIDMPDUCB-HZPDHXFCSA-N 409.556 1.649 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1286354012 FGLZIUDYZGBOGA-UHFFFAOYSA-N 409.519 1.704 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1286373477 OBUSLEJZIKIHNS-CQSZACIVSA-N 423.489 1.641 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286391252 CAEOLQJMDNDIBV-MSOLQXFVSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1nnc(C)s1 1286426214 OBHXEFBAOVYCTK-UHFFFAOYSA-N 409.475 1.677 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@H]1C[C@H]1C 1286460369 MNFTVYKTVVZRLV-QAPCUYQASA-N 417.535 1.862 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1286487225 LSNQEZFAAMMUKH-KRWDZBQOSA-N 419.533 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC[C@@H](OC)C(F)(F)F)CC1 1286491207 IRHLEPCKRWBARS-CQSZACIVSA-N 401.433 1.774 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1286687269 HUBFUVKKTDEMAG-HZPDHXFCSA-N 409.556 1.628 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1286706533 PHAYZHWACARGTO-UHFFFAOYSA-N 413.526 1.731 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286788366 VILWTEMGDOWCNP-SJORKVTESA-N 419.526 1.596 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1291297783 CTDVWCAFPUDJIF-OIISXLGYSA-N 407.540 1.593 30 10 HDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](NC(C)=O)C2)CCOC1 1299799677 BMSFFFIBIAWAPW-DENIHFKCSA-N 424.505 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1300268140 NPXPFXMKFYMXLE-HNNXBMFYSA-N 421.509 1.678 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300401570 SCRJNOCNETVKGT-GOSISDBHSA-N 409.538 1.790 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1300489022 ZDFFKJWWQLNSMR-GOSISDBHSA-N 417.535 1.782 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300489582 PMMVPRPVBDEKDB-MSOLQXFVSA-N 402.520 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNC(=O)c1ccccc1F 1300529648 OPGPSPSZHVPPEH-UHFFFAOYSA-N 402.433 1.982 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)COC)CC1 1300726191 IHQPWIZUUJMFFI-QGZVFWFLSA-N 410.522 1.512 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300839473 IDDXIADMFSGIDW-NEPJUHHUSA-N 409.244 1.701 30 10 HDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 1300992029 ZPCJHUZJIXFGEZ-SFHVURJKSA-N 418.519 1.952 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)F)CC1 1301508091 DDJLQDZVMRPWQZ-UHFFFAOYSA-N 410.494 1.620 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1301587498 PTUZUALNFRUNHC-QGZVFWFLSA-N 411.572 1.430 30 10 HDEE CC(=O)N1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1301673184 BNPGGXMKXZGGRT-RHSMWYFYSA-N 422.555 1.035 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CCO1 1301900647 AXYOZSVPLCSYMJ-LJQANCHMSA-N 424.505 1.463 30 10 HDEE Cc1ncsc1CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1304073269 DABONIMISNWZIA-GOSISDBHSA-N 403.487 1.850 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)c1ncc[nH]1 1304129500 KZFWXXNHSFYGMM-IAGOWNOFSA-N 411.462 1.965 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCOCC(C)C)CC2)c1C#N 1304731071 LHIACIPSVBGWEE-UHFFFAOYSA-N 400.531 1.889 30 10 HDEE N#C[C@@]12CN([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1308100314 MVPIVIDYPCHGSN-CXMBCZLWSA-N 414.314 1.969 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1320961019 JKYUGXPLEYTVRG-AZUAARDMSA-N 419.497 1.830 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 1323415189 CUHDPRXPCXBYOY-QGZVFWFLSA-N 417.487 1.859 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccccc1 1342032935 BDAWEJNTTQDTCR-UHFFFAOYSA-N 410.503 1.850 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cn1 1354860295 UWUWRFIOAGLFAZ-UHFFFAOYSA-N 404.879 1.682 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1358910199 HNXDHMAGASSGES-INIZCTEOSA-N 422.497 1.014 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1358961264 VKSBRKAFTKCNFD-KRWDZBQOSA-N 413.503 1.314 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1C 1358969703 UYAKOVYLZAHTOC-HNNXBMFYSA-N 419.938 1.971 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCC[C@@H]1C 1359023190 CNKJWRSEGNMGEF-YCRPNKLZSA-N 415.494 1.643 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccccn2)CC1 1359031194 SZJCQEFFFKSONP-JOCHJYFZSA-N 410.522 1.323 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2cc(C)no2)CC1 1359038853 NCVNEZOEQRNLTE-UHFFFAOYSA-N 422.489 1.966 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359134950 MMJGOUVJBDUTJI-NVXWUHKLSA-N 416.551 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(Cn2cncn2)CC1 1359326497 BOHBXLHVPDCIEO-UHFFFAOYSA-N 407.544 1.510 30 10 HDEE CC(C)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1360304934 SFHAKHCLJGIEIG-ZZEZOPTASA-N 415.542 1.895 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1 1436030967 ZOMYMIWCJXXBOD-LJQANCHMSA-N 405.502 1.804 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCC(CS(C)(=O)=O)CC1 1436454732 CAQGZZTVCAQKKH-UHFFFAOYSA-N 417.535 1.870 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 1441796356 JSTGZDXELQWZIM-INIZCTEOSA-N 418.581 1.174 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)C(=O)OC 1448497472 SELUNEFFWMDAQU-MRXNPFEDSA-N 409.483 1.832 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)ccc1F 1449581803 GJRVDLFUVSBHSI-LSDHHAIUSA-N 416.496 1.082 30 10 HDEE C[C@H](CC(=O)Nc1ccn(C2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 1453571136 YZRFOUUDISFZAD-CYBMUJFWSA-N 417.491 1.690 30 10 HDEE Cn1cnnc1SCC(=O)Oc1ccc(C#N)cc1I 1459655234 XKMMVLNMZDWXNQ-UHFFFAOYSA-N 400.201 1.989 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462721616 MBUBPJJTGOZMOZ-LXZKKBNFSA-N 419.865 1.791 30 10 HDEE COC(=O)CCn1nc(C)c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1C 1470692169 RINHQCILHOHKFT-UHFFFAOYSA-N 418.475 1.488 30 10 HDEE N#Cc1cccc(-c2nnc(CN3CCN(C[C@H]4CCCS4(=O)=O)CC3)o2)c1 1473718520 MCIAYSCIIBAOTH-QGZVFWFLSA-N 401.492 1.303 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@](CO)(C(F)(F)F)C3)C2=O)cc1 1478568702 QPSZYTDBUSIUAX-MAUKXSAKSA-N 410.396 1.615 30 10 HDEE C#CCN(C(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1479142807 QYTFMLVPTQGYJH-GOEBONIOSA-N 412.533 1.026 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)nc1 1479219251 VWNXUYAXCFLXSR-ALOPSCKCSA-N 403.508 1.141 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnnn2C)cc1C 1492273585 GYPXZIZLRVFBRZ-QGZVFWFLSA-N 421.465 1.053 30 10 HDEE Cc1ccccc1[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1492574325 PXUAGOIEEORAKT-UOFXHNCJSA-N 422.489 1.999 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CC(F)(F)CO1 1499146513 ZHMPBNDZLARQNZ-OAHLLOKOSA-N 403.437 1.858 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(C)C1 1503833400 KKSXJJCMXIIXSX-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE COc1ccc(OCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504317586 ASJJLBCVZGJLRC-OXJNMPFZSA-N 414.441 1.759 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(OC)c1 1504997559 FRCJQJUROVQKOM-LPHOPBHVSA-N 415.494 1.982 30 10 HDEE CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505245881 MCMVKZODDAQYOT-QGZVFWFLSA-N 400.556 1.998 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)OC 1507522335 VBUIFRQPVVVMEE-LSDHHAIUSA-N 405.524 1.688 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507590617 DBDHPFOMPZOKAY-HRAATJIYSA-N 414.510 1.748 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507631364 CVTZVJSLWPZBJR-ZWKOTPCHSA-N 420.535 1.493 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507638788 SUWGYYIAVSZCRS-CVEARBPZSA-N 410.540 1.256 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ccn(C)n1 1507659467 XHZPECFGIPXKMS-MAEOIBBWSA-N 423.521 1.903 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2cnnn2C)CC1 1507726184 HIYUPTQHUKKNCB-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC)C1 1507774397 DGINBMHQLVYULF-CYBMUJFWSA-N 414.304 1.274 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(CC)S(C)(=O)=O)CC1 1507903433 LRGJMBNVFGOPJP-INIZCTEOSA-N 424.571 1.303 30 10 HDEE C=CCn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1508066381 POUUHQFFBIHDGM-RXVVDRJESA-N 405.543 1.665 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508073100 VIRQCRPKCYMNIY-KSZLIROESA-N 418.542 1.770 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508086418 LGUZPPLKDZLHCP-KBPBESRZSA-N 408.453 1.403 30 10 HDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512064424 GOXLCIZAAUUZDW-PLGXQAJASA-N 422.493 1.886 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1519169865 CDNLEAJTGOBXQH-IERDGZPVSA-N 415.494 1.456 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOC[C@H]1C 1519448297 GRJQJTNCCSVQHH-ICUGJSFKSA-N 405.499 1.403 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1539148035 GIQSIBHXWQGCLW-HOCLYGCPSA-N 402.524 1.473 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(C)(C)OC)CC1 1539441696 UOEMECVZQVDSBN-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[C@H](OC)C(F)(F)F)CC1 1539454070 VUIZBNVQIZTROV-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCCCCC2=O)CC1 1539468167 BBHFFUKOFLGLOV-UHFFFAOYSA-N 400.527 1.345 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1539646680 ZNYJBGAEPIPHSB-SCTDSRPQSA-N 419.526 1.406 30 10 HDEE C=CCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1540007098 JVGJPDHIIFUQED-INIZCTEOSA-N 412.469 1.121 30 10 HDEE C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1540504664 CBWFGGAUVDUOFD-ZDUSSCGKSA-N 424.486 1.336 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1540858068 GGIFXCLEEWVZFT-HNNXBMFYSA-N 422.555 1.093 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 1543504049 CCGBJTGOSZOKOA-VIFPVBQESA-N 403.486 1.155 30 10 HDEE N#CC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC2(CC2)C1 1544010955 AOQHDLRGHKWELD-UHFFFAOYSA-N 403.504 1.549 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1547312983 GURODACQURENJT-HZPDHXFCSA-N 410.434 1.409 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1555690951 NJQPZNKHXXNPHZ-SFHVURJKSA-N 422.493 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)n1 1555736778 BOMARJXXPFZHML-WMZOPIPTSA-N 414.514 1.503 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3cnccc3C#N)CC2)n1 1556822813 DQUMKNYDUKBMJD-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1 1556915194 HWLGBQNBGGOHCG-JLTOFOAXSA-N 421.519 1.805 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1556983572 ANWHPLJSRDJISW-CQSZACIVSA-N 409.508 1.847 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1557082711 WLBZEHDXNGMRLO-SJORKVTESA-N 402.344 1.821 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)CC2=O)cc1Cl 1557238967 HTQHPAJHEIYUKT-IUODEOHRSA-N 414.853 1.851 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1558195140 BYKCQBGQOMNSDM-SWLSCSKDSA-N 419.425 1.979 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(c2n[nH]c(C)n2)C1 1558294940 LSVTYOXYXOLMDA-HNNXBMFYSA-N 416.507 1.336 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1558997881 KJWHWIFYDYFHHS-WMZOPIPTSA-N 423.535 1.154 30 10 HDEE CC(C)C[C@H](NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C(=O)N1CCOCC1 1564973826 SGWQBVHLXCGDAI-MSOLQXFVSA-N 415.494 1.389 30 10 HDEE C=CCOC[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C(=O)OC 1568154421 IROIIOXUQLTROV-JSGCOSHPSA-N 411.252 1.735 30 10 HDEE C#CCN1CCCN(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CC1 1586497592 XTXRJEOYVDFNBY-UHFFFAOYSA-N 417.556 1.924 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccsc3C#N)CC2)c1 1587369016 BOESGVYREGWIGQ-UHFFFAOYSA-N 421.500 1.784 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1587758652 FOGGRWRFZWMCFI-MRXNPFEDSA-N 400.527 1.727 30 10 HDEE C#CCN(c1nnc(COCC)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1588073548 AAPGUPIDRSPTLJ-OAHLLOKOSA-N 400.570 1.583 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1588302419 WVZKRIYJTDKFSZ-UHFFFAOYSA-N 412.519 1.731 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588459136 MUHFBGGWLXWECU-OKZBNKHCSA-N 421.567 1.793 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1595602504 LLBMSVMAUSYCCE-JKSUJKDBSA-N 404.515 1.174 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@@H](C)CC)C1 1595715116 SIDDKWBWPIWYRJ-DOTOQJQBSA-N 401.515 1.765 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C1 1596050162 GLMZIEVMPDMTRM-GOSISDBHSA-N 421.505 1.354 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1596063709 GPSWRAWXBOXOEP-KXBFYZLASA-N 400.462 1.379 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CCO1 1596642577 YMVNUYXVZPKUPV-VQTJNVASSA-N 422.489 1.503 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1596822773 NEDRYDDFTVCWPA-RDJZCZTQSA-N 412.494 1.680 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3cncc(C#N)c3)CC2)cc1 1596856380 UGGGJOVFGRDZFQ-SREVYHEPSA-N 405.458 1.483 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)cc1 1611547353 LTQJGKDRRGRTQV-IRXDYDNUSA-N 407.492 1.289 30 10 HDEE Cc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1612055460 DQEKKWSVXFMROZ-ROUUACIJSA-N 415.519 1.460 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(C)=O)c1 1619130867 PHSJLJMQTYJBPT-FQEVSTJZSA-N 416.457 1.930 30 10 HDEE COCCCN(C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619835795 KTAIHHMTMWBZBM-SFHVURJKSA-N 412.542 1.418 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1620355192 HLLRFHUTTNRPFR-OWCLPIDISA-N 409.512 1.216 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 1621673325 KCIZQBALDCQBIW-ZDUSSCGKSA-N 419.883 1.665 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)Cc1ccc(C#N)nc1 1623561215 UQFFSPQXACTKAK-MRXNPFEDSA-N 402.451 1.507 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N(CCC#N)CCC#N)CS(=O)(=O)[C@H]2C1 1625385356 SUKHZBQYROUZCY-XHSDSOJGSA-N 424.523 1.313 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1628373130 LPSSJTQZOOLBRD-HUUCEWRRSA-N 407.341 1.942 30 10 HDEE COc1cc(OC)cc([C@H](O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1631290946 PAVOZKGTANUYLT-GOSISDBHSA-N 422.434 1.604 30 10 HDEE C#CCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1633145181 SSDCHKQIFDQQPT-UHFFFAOYSA-N 407.492 1.277 30 10 HDEE C#C[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)[C@@H]1CCCO1 1633397640 MWRRKSCSOBUVNI-UXHICEINSA-N 415.515 1.711 30 10 HDEE CCOc1ccc(-n2c(SCC(=O)NCC#CCO)nnc2-c2ccncc2)cc1 1635128648 RAIPZLXJNJXYIP-UHFFFAOYSA-N 423.498 1.932 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCS(=O)(=O)C3CCOCC3)C2)nc1 1635438690 ZDIMTEPVOJHDML-MRXNPFEDSA-N 421.523 1.133 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)c1 1635682971 DCDSZNNGVBNGPY-UHFFFAOYSA-N 417.531 1.677 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(F)c3ccccc23)CC1 1635807048 SERSKQNVXHOEQP-HNNXBMFYSA-N 418.494 1.835 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1CS(N)(=O)=O 1636308788 JNPXGOYRGCVKEH-HIFRSBDPSA-N 403.460 1.727 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1636699186 DOYYFTRYKMOGTC-HUUCEWRRSA-N 408.476 1.067 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1637667786 KMDWIPCIDIWFDQ-GJZGRUSLSA-N 406.508 1.435 30 10 HDEE N#C[C@]1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C[C@H]2CC[C@H]1C2 1638987017 PZCIZOINRWSWPY-SLEUVZQESA-N 408.446 1.294 30 10 HDEE C[C@H]1CN(CCO)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1639023069 DITUCQFZRAQVDC-CLIJALBYSA-N 406.527 1.298 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3nc(C(F)(F)F)n4c3CCCC4)C2)c(=O)nc1O 1640637190 VAHKJLNLLBXOQG-UHFFFAOYSA-N 408.340 1.069 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)N[C@@H]2CCN(O)C2=O)C1 1641379024 MNHUHPSLFWTIRS-BRWVUGGUSA-N 403.479 1.819 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1641702768 ZCZKESAKXKQSMM-SZVBFZGTSA-N 421.375 1.744 30 10 HDEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@H](C)O)c1ccc(Cl)cc1 1642102757 ASZZNNXMYMDTMO-HZUKXOBISA-N 412.920 1.920 30 10 HDEE C#CC[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)OC 1642410652 JSNUJQXWJWOIRM-HNNXBMFYSA-N 406.485 1.773 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1642581784 MRBUUOKWOQYYOQ-CHWSQXEVSA-N 409.936 1.563 30 10 HDEE C=CCNc1ncc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)s1 1645148057 PREWBEKZILBITR-KRWDZBQOSA-N 413.547 1.856 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1651801917 NHGYPXGLARQPQE-KGLIPLIRSA-N 415.968 1.768 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2cc(F)cc(F)c2)cc1 1652566213 UPZJUFTXQPMYJR-UHFFFAOYSA-N 407.398 1.769 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 1655781414 XEYHGHNGDGWSLL-HNNXBMFYSA-N 402.513 1.511 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H]2CCOC23CCOCC3)CC1 1656427435 YSKJYEWLNDLWDI-UXHICEINSA-N 416.497 1.462 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1667597935 DGYKTQZEVFMKQI-INIZCTEOSA-N 422.551 1.823 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 1675126659 RUMJBAOGDFHLLS-MRXNPFEDSA-N 420.872 1.755 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cc4c(nc3O)CCCC4)CC2)c1C#N 1675421766 GMKTUMITHODLID-UHFFFAOYSA-N 409.494 1.611 30 10 HDEE CCO[C@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CN(C)C 1675906188 NCHLIKYQRXMLET-OAHLLOKOSA-N 416.482 1.605 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(C)(C)C(N)=O)CC1)c1ccc(Br)cc1 1683507672 GLVCYPQSXPQXDX-HNNXBMFYSA-N 407.312 1.715 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c(F)c1 1684437689 VQRVGRNRCKRWND-MQVJKMGUSA-N 406.483 1.637 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1684717753 AHFATGDVECFCQC-UHFFFAOYSA-N 413.522 1.890 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1689860927 LFZZIYGCFVVFES-KURKYZTESA-N 416.570 1.746 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N(C)C 1690001977 WOAZGKBZQUISHM-KRWDZBQOSA-N 409.490 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N(C)C 1690035781 JLYFAICUHDYHJP-UHFFFAOYSA-N 415.519 1.308 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)OC)CC1 1690110594 SDPJNNOKCSUTNN-GOSISDBHSA-N 410.522 1.937 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1690255067 NQGUDYBEZJWJMW-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690351393 RMEGOXHRGRSMHQ-OAHLLOKOSA-N 408.934 1.894 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1690524582 OHCNWVDGOPHPHE-IBGZPJMESA-N 424.553 1.459 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnn(C)c1 1690665713 NDEIQRAWWJGIMB-UHFFFAOYSA-N 409.450 1.346 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1696501322 CYDFTLDOQBXKBD-IAGOWNOFSA-N 400.508 1.745 30 10 HDEE COCCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1697989965 JGRIOYCEXOFEON-OAQYLSRUSA-N 417.558 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1705476877 GOUFHMWAKFDJQF-UONOGXRCSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1705492139 LZUGVPQAPMCLPU-NVXWUHKLSA-N 416.547 1.914 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705530743 SUMBVQNDTIMVCI-INIZCTEOSA-N 414.477 1.525 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705630573 YPBLQDKBXYEUII-QHCPKHFHSA-N 420.517 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705672504 AXGTWYMDVOUAPD-MBOZVWFJSA-N 421.567 1.793 30 10 HDEE C=CCCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1705819248 HSKIZHWSVUSIIE-HNNXBMFYSA-N 420.514 1.489 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705907975 DIAMSGZYTOYHNM-FIKGOQFSSA-N 419.526 1.238 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705977015 ICJGMARJGACSHM-JOCHJYFZSA-N 421.505 1.354 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc2[nH]ccc12 1706625541 OFHPTXYUFUXTMV-INIZCTEOSA-N 407.478 1.869 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)COCCO1 1706960240 VIAGENCDMOJICA-NRFANRHFSA-N 410.478 1.324 30 10 HDEE Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)cs1 1707749256 CMHXGOVLBHJFCY-GFCCVEGCSA-N 411.491 1.814 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@@H](C)C1 1707911262 FPGDFLDFMOICIL-SJORKVTESA-N 409.542 1.695 30 10 HDEE CCOCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1710805690 LFBPTLJXBUZFBQ-RXVVDRJESA-N 418.542 1.533 30 10 HDEE CSc1cccc(F)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1712770582 GKOQVUZZVIQEGR-SWLSCSKDSA-N 416.482 1.867 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1scnc1C)[C@H]1CCS(=O)(=O)C1 1722367642 NJEDGLRMKWPNRM-HNNXBMFYSA-N 405.549 1.790 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CSCCS1 1722387918 RPZYQTBLRGMQKT-BBWFWOEESA-N 406.577 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)C2CC2)CC1 1722445909 FEJAQWYFHMRCPF-HSZRJFAPSA-N 422.533 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@H](C)C2)CC1 1722446033 KJBPBQAEBCIYMX-IAGOWNOFSA-N 423.521 1.516 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722532672 SPXAQJKXPYPFEU-UHFFFAOYSA-N 411.572 1.999 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1722671119 JNKMNCCRGXVMDW-QZTJIDSGSA-N 402.543 1.764 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722677811 OCEUMCAWSNTYDE-PXNSSMCTSA-N 402.499 1.656 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCC2)C1 1722708899 FVKOBSQZKWRWHM-KRWDZBQOSA-N 402.543 1.780 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(C)s2)C1 1722711250 SYBNOZQLDCIGKV-DNVCBOLYSA-N 420.539 1.920 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCC(O)CC2)C1 1722712097 LJVJTONEKSVUHB-GOSISDBHSA-N 413.526 1.363 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@](F)(C#N)C1 1723665578 HUEARBSGHISTHW-KRWDZBQOSA-N 409.491 1.053 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)CCOC1 1723689626 IEVONGFGJSMETI-DJPFJPOOSA-N 418.542 1.530 30 10 HDEE CCOCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1729120392 TZDBYZXGUOKCQT-OAHLLOKOSA-N 424.571 1.835 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)c1 1730022567 GHUBQBHWYJFCMB-INIZCTEOSA-N 423.420 1.973 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CCOCC2)CCO1 1731188778 IPFHEAHPUIVRDK-QGZVFWFLSA-N 414.485 1.925 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CCCO[C@@H]2CCOC2)CC1 1733371843 YXEDJOZYDSQMAU-BTOHRNCKSA-N 402.535 1.532 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)[C@H](C)CCC 1740531378 KTMSLEBPDCEYRZ-CVEARBPZSA-N 411.510 1.936 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740578484 AVTKRJDROQPWRL-HNNXBMFYSA-N 400.487 1.150 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC(F)(F)F)nc1 1740612566 DFINPAGXZZHOCC-UHFFFAOYSA-N 422.411 1.854 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740673602 ZYIYFVBUDLZQJT-IBGZPJMESA-N 415.563 1.804 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCn1cncn1 1740680443 BTPNCQDPVQDYQE-UHFFFAOYSA-N 417.477 1.713 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(N(C)C)nc2)CC1 1740697786 GNOUMJYUIBEPFR-UHFFFAOYSA-N 416.533 1.528 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)CCC)C1 1740716655 WFIYMZCVQHDWDF-DLBZAZTESA-N 404.584 1.764 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740722213 BMCARAHVEALJAC-SJORKVTESA-N 419.551 1.324 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)OC)CC1 1740758517 YKZNCZIQQGJFPW-RYRKJORJSA-N 417.510 1.600 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740792199 VRSANTBXUIHKAQ-KRWDZBQOSA-N 410.482 1.430 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740835201 QNIJEYIXUBJRFB-IBGZPJMESA-N 403.508 1.292 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1740941457 LKHVKGMTDDVAKR-ZDUSSCGKSA-N 412.541 1.027 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1740963817 XYKNCTKNKOAYFJ-QFBILLFUSA-N 424.505 1.892 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(C)(=O)=O)C1 1740977106 CYMCYUMRVARSHA-OAHLLOKOSA-N 420.491 1.500 30 10 HDEE CC[C@H](C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1743853135 HGMUINOPMJMXKA-GJZGRUSLSA-N 411.576 1.359 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C 1748648679 BDVMMOMSGOPRIL-ZDUSSCGKSA-N 411.466 1.606 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H](c1ccccc1)N1CCOCC1 1748859026 ADKBYWRNFDZQHY-NRFANRHFSA-N 407.518 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1-n1cccn1 1748892937 YCMBPGHKROXQCZ-LJQANCHMSA-N 401.474 1.874 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(F)c1 1748961216 XSVYJOBBGWPWKJ-KRWDZBQOSA-N 415.469 1.706 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1748983747 BIRZHHWOFDTYSV-PMACEKPBSA-N 423.565 1.595 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1749019643 BYHFQBKDIFDVBA-AWEZNQCLSA-N 406.556 1.230 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749232273 INEMTKHGMRRPHI-INIZCTEOSA-N 405.524 1.474 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1749462119 NWQPGNFBABWFJI-MRXNPFEDSA-N 421.509 1.950 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)cc1 1749683312 OYNLIFPRAHFCIL-GOSISDBHSA-N 419.551 1.965 30 10 HDEE C=CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1749764300 YNZXBOBDLCVJBL-PMACEKPBSA-N 421.567 1.708 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)cs1 1751777005 IVLMKSOAXVZKLE-QZTJIDSGSA-N 406.487 1.881 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760158527 NUYKTVRVOLPRAJ-KRWDZBQOSA-N 424.505 1.835 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC(=O)N1CCOCC1 1760169991 LMXJWQKAPASQMD-UHFFFAOYSA-N 406.490 1.755 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1760183800 TWYCBAHFEMHGOP-NVXWUHKLSA-N 417.535 1.870 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1761362011 UQTSJNCXPJBSSX-FZFLATATSA-N 420.477 1.529 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1761362307 BLSYCSBKDPMWKU-CZUORRHYSA-N 416.507 1.066 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](F)COC 1763221082 CKAYHYLXXRPPRP-RDJZCZTQSA-N 416.457 1.428 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@@H]2CCOC2)c1 1770735836 PCPJLSDUTHETLW-SFHVURJKSA-N 424.505 1.586 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@H]2CCOC2)CCO1 1770751745 LZRHBNBVAJXSIK-GJZGRUSLSA-N 416.507 1.425 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1770873668 NIVYAJMFOPOZDT-SFHVURJKSA-N 403.418 1.139 30 10 HDEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(c4c(C#N)cnc5ccccc45)CC3)C[C@H]2C1=O 1848518677 PUFJLDPKWQFAAX-QZTJIDSGSA-N 417.469 1.396 30 10 HDEE O=C([C@@H]1CCC(=O)N1c1ccccn1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852067776 HEUYHMOZYDBJEL-JTQLQIEISA-N 404.370 1.448 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(COc3ncccc3C#N)CC2)C1 1852982142 JDKJOGYEKBOQJO-KRWDZBQOSA-N 406.508 1.242 30 10 HDEE N#Cc1ccc(F)c(C(=O)NCCS(=O)(=O)N2CCc3ccccc3C2)c1F 1853066191 KEXCGRQYTDJSHR-UHFFFAOYSA-N 405.426 1.954 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCN(C(=O)CN3CCOC3=O)C2=O)CC1 1853813952 MYNULAAKLLUPDG-GOSISDBHSA-N 410.474 1.514 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(CCN4CCCC4=O)CC3)CC2=O)cc1 1853842182 GINYKBYFKRUZBD-HXUWFJFHSA-N 408.502 1.881 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)COc3cncc(Cl)n3)C(=O)C2)c(F)c1 1854248269 DYJIFCXLZSHQTK-UHFFFAOYSA-N 403.801 1.391 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cnn3ccccc23)C1=O)[C@@H]1CCN(C)C1=O 1854262967 PBRCRYFVQLHZFK-RBUKOAKNSA-N 409.490 1.574 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854292251 UTXANNMCNAECOV-DOTOQJQBSA-N 419.913 1.020 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cn1 1854941545 RRQAGLPBPCDRAX-PKOBYXMFSA-N 413.522 1.920 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C(=O)C1 1856421851 NSGFAPOCCJAHSM-GJZGRUSLSA-N 412.446 1.131 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCN(S(=O)(=O)C3CC3)CC2)CCC1=O 1856636200 CTBCGZSOWDPYHU-IRXDYDNUSA-N 411.568 1.464 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(C)on3)C3(CCCC3)C2=O)CC1=O 1857122817 YYNPTQHEPSALSK-INIZCTEOSA-N 400.479 1.501 30 10 HDEE Cc1nccn1CCC(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1857501367 WVSRQRSWHTZEER-UHFFFAOYSA-N 407.474 1.786 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858318488 XAYNULCQLQKHHI-KRWDZBQOSA-N 419.528 1.917 30 10 HDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CSCCO 1870289443 JZYQABFABWXNEY-UHFFFAOYSA-N 402.516 1.998 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1CCO 1870504756 RPRYLJZMLRACIV-UHFFFAOYSA-N 404.492 1.489 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2OC)CC1=O 1872974334 JAIIQSBIXSOJDX-VLIAUNLRSA-N 410.474 1.936 30 10 HDEE C=C(Br)CS(=O)(=O)NCCCOC1CN(C(=O)OC(C)(C)C)C1 1900378670 LQVZCTHLPDLFCJ-UHFFFAOYSA-N 413.334 1.840 30 10 HDEE C#C[C@]1(O)CCN(C(=O)[C@@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 1984760553 VVDGUPAPAJGXKQ-XZOQPEGZSA-N 413.518 1.752 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1986367887 ATCPWDPEODBBAD-IHRRRGAJSA-N 410.320 1.813 30 10 HDEE CN(Cc1sccc1C#CCO)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2039296523 MLYBIWAVGJEZQB-UHFFFAOYSA-N 418.496 1.150 30 10 HDEE C=CCC1(C(=O)O)CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228709 QKKBHOGYURGWDP-GOSISDBHSA-N 424.450 1.303 30 10 HDEE C=CC1(NS(=O)(=O)c2cc(C(=O)O)ccc2F)CN(C(=O)OC(C)(C)C)C1 2196122043 JQBDUMWEZWGJLI-UHFFFAOYSA-N 400.428 1.978 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(CNS(=O)(=O)c2ccc(C#N)s2)C1 2237807053 IEBRZXOMGPGEPC-SJCJKPOMSA-N 413.521 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243383472 ZEISWPYZEBAXPP-HDJSIYSDSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243755889 DBEXUEBWGIBGDW-ZDUSSCGKSA-N 411.283 1.817 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247254345 GHOOOSZOWAOFNG-HOTGVXAUSA-N 419.331 1.967 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247913526 XFVZHGRRCARFOH-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE Cn1cc(C(=O)NCC2CN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247920202 VOYDSOWJFRZWMD-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247923365 XLHCOVBNRVNEBL-UHFFFAOYSA-N 418.303 1.561 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267375642 JYUXMTBMLVBXTP-ZYHUDNBSSA-N 407.388 1.438 30 10 HDEE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267468959 ZCTITRVNQSKJAB-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270522404 UBHGEZZUNJZGRK-QZTJIDSGSA-N 422.503 1.423 30 10 HDEE C#C[C@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524038 GFAWHLSAQNQBNW-QZTJIDSGSA-N 422.503 1.518 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCC[C@H](O)[C@H]3O)sc2Cl)OC1(C)C 2281975439 MXAKQPCCHCKKAR-MDZLAQPJSA-N 401.721 1.705 30 10 HDEE CCN(C1CCNCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282329774 QYHRKIQGNGSTEC-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282330217 WRHLHYPGPPFFTB-XELLLNAOSA-N 402.347 1.120 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCO1 2282335053 KCLGFFJFCYYRFM-CYBMUJFWSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(CO)CCCC2)OC1(C)C 2282495604 OKFRBCTUPMILPP-UHFFFAOYSA-N 401.359 1.878 30 10 HDEE CN(C)C[C@H]1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502378 KFIOHDQBMMCKMM-JOCQHMNTSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616971 GVBNRWPKLVLBEX-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(CCO)CC1 2282835013 OTSXPVATXGWFOE-UHFFFAOYSA-N 401.359 1.797 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849511 CDBTYTPWNZEDLK-NSHDSACASA-N 423.387 1.101 30 10 HDEE C[C@@H]1CSCCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282867680 BZWATLKXIDWPEL-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(O)(C(F)(F)F)C2)OC1(C)C 2282868025 HLXLWMNEADBRIG-UHFFFAOYSA-N 413.248 1.345 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282873193 HYVCHANYQKHYPS-VWLOTQADSA-N 401.359 1.174 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2284397016 HMHCZYGVTLAADQ-GHMZBOCLSA-N 401.315 1.389 30 10 HDEE C[C@H]1C[C@]1(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284399142 GSUYVWNOKSPIJR-MGPLVRAMSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](C(=O)O)C3)cc2Cl)OC1(C)C 2284408463 WYCJJAPHIONKEV-VIFPVBQESA-N 421.733 1.796 30 10 HDEE COC1(C(=O)O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2284453979 LPQXTTYPVJSFIJ-UHFFFAOYSA-N 401.677 1.626 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(C)n1 2296610746 GFCKTMCLSDYAPA-LJQANCHMSA-N 423.473 1.242 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]21 2303389900 KDVVZLBFSAYXAE-HRCADAONSA-N 420.315 1.904 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccn1 2331273824 VIAXIRFHHRKDPY-UHFFFAOYSA-N 400.464 1.746 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363694486 OGHOJEJWZMTFQM-LSDHHAIUSA-N 413.565 1.815 30 10 HDEE COC1(C#C[C@@H](N)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363728462 UKKVEXXBMFJYIZ-CVEARBPZSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)C1(O)CC(NC(=O)OCc2ccccc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c1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccn3)n2)o1 59881251 QALMNVKXJGOCRX-KEBDBYFISA-N 401.456 1.390 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](Cc1ccc(F)cc1)C(N)=O 72034838 GKRXRXHKMUEHNL-MRXNPFEDSA-N 422.464 1.750 30 10 HDEE C=C(CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(CCO)CC1)C(=O)O 96307902 ANLGBDCQACIUEB-UHFFFAOYSA-N 401.385 1.789 30 10 HDEE CCOc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1O 169907857 SVEXMWKZICOPHW-CAOOACKPSA-N 422.375 1.446 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(N3C[C@H]4C[C@H](C3)[C@H]3CCCC(=O)N3C4)nc2)CC1 257184363 ILZUZNBQWSOLDI-HMXCVIKNSA-N 423.561 1.863 30 10 HDEE C[C@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)n1cnc(C#N)n1 409610472 FBTDWGWZMFMFDY-CZUORRHYSA-N 422.411 1.919 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)CC1CC1 460934557 SMXVQBBISCTGPN-KRWDZBQOSA-N 409.556 1.814 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CS(C)(=O)=O)cc2C1=O 465000365 BMKDVQNFHVBAJB-UHFFFAOYSA-N 412.467 1.943 30 10 HDEE C=C(C)C[C@H](C)C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H](C)CC(=C)C)CC1 469108641 ZPXNSENMLREOCI-ZWKOTPCHSA-N 413.584 1.781 30 10 HDEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 471897424 HUZRJFZXGMJFDQ-QGZVFWFLSA-N 413.521 1.164 30 10 HDEE COc1ccnc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1OC 475050310 VAYQNQAWGPTPDH-UHFFFAOYSA-N 402.476 1.477 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)ccc1F 488940893 NVOFLIOYBUINRM-UHFFFAOYSA-N 420.441 1.781 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C#N 489102332 FQZUFJPKWYNHNB-UHFFFAOYSA-N 413.503 1.128 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 489640943 LXCZTANCVVVUNI-LJQANCHMSA-N 414.487 1.010 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCOC1 504278021 BCLXYUBIHGNJBN-RDJZCZTQSA-N 406.508 1.389 30 10 HDEE Cc1c(NC(=O)CSCC(=O)N[C@@H](C#N)C2CC2)c(=O)n(-c2ccccc2)n1C 505929014 YFBTWQRMSBVJIF-INIZCTEOSA-N 413.503 1.575 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(=O)N(C)[C@@H](C)C1 506541332 LVQJEQKLSAGUEZ-NSHDSACASA-N 410.268 1.787 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508918984 OOHZQSRWIZWKKF-CQSZACIVSA-N 424.548 1.406 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 512365999 GNZKJLXNHCHJHM-SFHVURJKSA-N 416.497 1.124 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 522109736 TUXQTKBZGMWUBF-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE C=CCN(C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 522183253 VJFHYGHAMJTAMU-QGZVFWFLSA-N 409.527 1.783 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](C)C1 522401128 QWTZTFIEMKQZBZ-UYAOXDASSA-N 414.554 1.922 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 526982636 MYOPWVGCYIGPHW-IBGZPJMESA-N 408.462 1.650 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(Cc4ccccn4)C3=O)CC2)n1 546214629 KSDWPNXNHYVKKR-IBGZPJMESA-N 419.489 1.371 30 10 HDEE C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546917968 BUQDNONRESLYAM-FUHWJXTLSA-N 407.474 1.420 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](CO)CC3CCCC3)n2)c(Cl)c1 549322954 YXQYRXOXPSVHCS-HNNXBMFYSA-N 415.881 2.393 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3)C(N)=O)cc2C1=O 553758015 OIYCFGAGUSGMQR-KRWDZBQOSA-N 411.845 1.948 30 10 HDEE C=CCOc1ccc(CNC(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1 553926343 OCBLWYFPCMONEP-UHFFFAOYSA-N 400.523 1.995 30 10 HDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 555252549 NRCKYLPXAFIHMU-QFIPXVFZSA-N 422.537 1.745 30 10 HDEE C[C@H]([C@@H](N)C#N)n1cnc(I)c1I 575506522 ACQHBCUXHZGSDY-UHNVWZDZSA-N 401.977 1.504 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(C)(C)c1cc(F)cc(C#N)c1 579726268 QUAXRNKHLLDHFG-NCOADZHNSA-N 402.422 1.927 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 584084771 DIWAUPVLCCVVQX-SFHVURJKSA-N 409.494 1.099 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 584134319 GNXQPUOSONAIRK-YJYMSZOUSA-N 404.492 1.864 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3cc(O)nc(C)n3)cc2)CC1 588768140 QETBUMOBLAJVIZ-UHFFFAOYSA-N 410.478 1.609 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NCc3c(F)cc(C#N)cc3F)cn2)CC1 618678331 WWWCYXSERBDJND-UHFFFAOYSA-N 407.446 1.925 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCO[C@H](c3noc(C4CC4)n3)C2)C1=O 725773806 NGIDWUHPLVMEIY-KKSFZXQISA-N 422.445 1.617 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 731877832 UXPUUHOTTWANHJ-OAHLLOKOSA-N 410.386 1.529 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C(N)=O)s1 732616900 YLNJFWKUIBAIDM-OAHLLOKOSA-N 407.473 1.627 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CCN1C1CC1 732706165 HNPYECCFKFHEQK-HNNXBMFYSA-N 415.881 1.369 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C(F)(F)F)c1 735079714 CEVKLORAUOVAAT-PFONDFGASA-N 414.365 1.382 30 10 HDEE Cc1cnc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)s1 746208137 GSYUXAOIMBBXDE-QPQCVSCISA-N 421.504 1.208 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 746214428 BXWHRVQMHOFESY-STGLLQLASA-N 418.450 1.582 30 10 HDEE Cn1cc(C#N)cc1C(=O)[C@@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 751829729 FSBCJFXMJOOPHV-QGZVFWFLSA-N 406.402 1.476 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)cc1 767159416 JHOOXYNDIFJHFB-CYBMUJFWSA-N 411.480 1.173 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 773292019 NUZZSMAMMPSACU-UHFFFAOYSA-N 419.481 1.859 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774218469 RJDYQZOBICGUBU-HZPDHXFCSA-N 413.540 1.608 30 10 HDEE COCC(=O)N1CCc2cc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)ccc21 778672402 XUPWHQILTSRKPI-UHFFFAOYSA-N 422.441 1.357 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)Cc1ccccc1 779837616 OVKNNYKLMCYPHS-IBGZPJMESA-N 409.508 1.484 30 10 HDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cn2ccccc2n1 788420072 QXVFLGNPGUNELM-UHFFFAOYSA-N 413.507 1.502 30 10 HDEE C=CC[C@]1(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790504332 SVQGCSSOVIAZKE-HNAYVOBHSA-N 415.556 1.872 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)C[C@H]2CCCO2)CCCN1C(=O)OC(C)(C)C 791870616 NFOFALGQKNHCHU-KDOFPFPSSA-N 402.513 1.957 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1)c1cc[nH]n1 794222025 FVASYZIYKLBDAX-FUHWJXTLSA-N 422.445 1.552 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cccc(C(=O)NCCOC)c1 796096872 OQTNIOQTLNGHQG-LJQANCHMSA-N 400.500 1.976 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)C1=O 798465631 FKIXLFZMORJSGG-CYBMUJFWSA-N 405.398 1.595 30 10 HDEE CCn1c(=O)c(C(=O)COC(=O)[C@@](C)(C#N)CC)c(N)n(Cc2ccccc2)c1=O 803785156 WCUVJAFXOFIBNH-OAQYLSRUSA-N 412.446 1.326 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1 805114096 QCLTUOCTNCLANJ-IAGOWNOFSA-N 408.524 1.981 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812265025 ZTQZUPWOSVTAAI-DLBZAZTESA-N 418.519 1.961 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 1136096189 GEPISIIHSMEFKN-UHFFFAOYSA-N 419.434 1.751 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(Cl)cc1)N(C)C)c1cc[nH]n1 1137123400 MFMSUYQLMGWJOC-MRXNPFEDSA-N 421.885 1.766 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1138452824 SKTAKSHWUXNJDT-UHFFFAOYSA-N 404.423 1.576 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CCCN3CCCO)C2)C1 1141312010 VTKAYTPYIUJUGE-YHHIVYBXSA-N 420.554 1.736 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1141833815 UELIHPSECONYIT-QSAVUZNUSA-N 404.511 1.886 30 10 HDEE C=CCC1(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCOCC1 1146465050 KJMLJLPBKKSVCF-UHFFFAOYSA-N 421.563 1.543 30 10 HDEE C#CCN(CC(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1)C(=O)OC(C)(C)C 1147411432 XPKBMVNIRSBPPU-GOSISDBHSA-N 415.538 1.579 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)cc1 1151589420 YYWUIMMZFGMUIL-IBGZPJMESA-N 419.459 1.697 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)[C@@H]1C 1166615433 VQMIRLJIROKYCR-IIAWOOMASA-N 418.494 1.164 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1171497993 DQCWCQIGUGCMIZ-WBVHZDCISA-N 406.527 1.895 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ncccc3OCC)CC2)c1 1176154297 MDJGSXWRWDKIHY-UHFFFAOYSA-N 407.474 1.932 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn([C@@H](C)CC)c2C2CC2)CC1 1202865347 VPHICXYXAUWWOF-AWEZNQCLSA-N 408.528 1.349 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1205614103 CAWVXJKJBKHRIY-RBUKOAKNSA-N 414.506 1.885 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)Nc2ccn(CCN3CCNC3=O)n2)c1 1209474236 FCFXPIGPEKYCQG-MRXNPFEDSA-N 411.466 1.911 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1248675903 HTFSGDHGKZMRHD-KRWDZBQOSA-N 424.954 1.454 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1251164950 YFEQIXMHIOQFDD-CABCVRRESA-N 401.435 1.324 30 10 HDEE COc1ccc(CNC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1C#N 1252146091 AKGMKQDWTWZHAL-OAHLLOKOSA-N 401.444 1.601 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(c2ncc(I)cn2)CC1 1252549525 NJZKBBHMGDYWTA-SNVBAGLBSA-N 403.224 1.419 30 10 HDEE N#CC[C@H](C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1 1265300155 BFJVNAOOYJHXIF-IBGZPJMESA-N 405.520 1.773 30 10 HDEE C=CCOCC(=O)N1CCc2sc(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)nc2C1 1282403514 XGHFOBZZCADGSI-LPWQZMBTSA-N 403.504 1.270 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1CC[C@H](CO)O1 1286358979 PJCSMEXNNHKEPY-DLBZAZTESA-N 417.897 1.471 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)cc1 1286360392 GDCIIFXBAHGWHV-MRXNPFEDSA-N 418.567 1.852 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)OC 1286365851 KYKLMANHNJPZHO-UHFFFAOYSA-N 405.524 1.690 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286387770 UZHPEISXLBDERG-ZWKOTPCHSA-N 413.503 1.660 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1286390667 BAWAMWPTTAPJHM-IAGOWNOFSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCOCC1 1286458763 BLTDEOCBVAVJCC-UHFFFAOYSA-N 400.479 1.581 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCC[C@@H]1CC 1286465715 RCXJBHRTJBHOFA-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCSCC2)CC1 1286491219 IYJZKZVGELGYMH-UHFFFAOYSA-N 418.611 1.491 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286612070 VFPBSEWRRYHABC-RCCFBDPRSA-N 403.527 1.712 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286621657 HDZDNGQRUDQKFM-HIFRSBDPSA-N 412.922 1.795 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)CC1 1286656909 RLPBGFGSGDIDHH-FQEVSTJZSA-N 401.515 1.898 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H](C)O1 1291279184 JPIQAKSXWQPQJI-HUUCEWRRSA-N 408.466 1.519 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1291641788 SUBUSNJRQMVXIE-UHFFFAOYSA-N 406.533 1.780 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)O1 1292300636 POZQHBKBFGTQTM-SIXWZSSISA-N 424.571 1.976 30 10 HDEE CC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1293389116 GPBGUTQQOXCXJA-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 1295020334 RRSYAHJURONCKN-RBUKOAKNSA-N 423.510 1.621 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1295229385 NSPVORMSEKCWBH-SFHVURJKSA-N 404.422 1.168 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cn3cncn3)CC2)s1 1296767028 LJHFSAOBBSSXNY-UHFFFAOYSA-N 409.537 1.285 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300485361 VCYZDOUQKRKOMV-HOTGVXAUSA-N 423.583 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@]2(CCOC2)O1 1300506810 ZMEGRDOMFYPUEQ-XMSQKQJNSA-N 413.522 1.607 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCc2ccccc2C1 1300532411 UYCYUBZYZTYLTL-NRFANRHFSA-N 416.529 1.750 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)coc1C 1300557222 RAEVSUQCJVPNGM-OAHLLOKOSA-N 403.508 1.609 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCOC 1300577798 BUVJINARMFSVTL-FQEVSTJZSA-N 410.474 1.917 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1300732442 NEVHWUIUEJJBRN-DNVCBOLYSA-N 407.540 1.167 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1301259569 NTMZGSYBEQFRTA-AEFFLSMTSA-N 403.527 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1301497449 XCDOHMLLDHTPIW-CQSZACIVSA-N 407.478 1.396 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1301617832 JLSXLKSQEMGWMS-JXFKEZNVSA-N 421.567 1.704 30 10 HDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1304598286 SNFYIFKLRJWYND-UHFFFAOYSA-N 405.466 1.962 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCC2(C#N)CCOCC2)cc1OC 1305274756 MBVSXKSHUHQOCG-HXUWFJFHSA-N 403.479 1.578 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)n(Cc2ccco2)c1C 1308162945 JCUHXMMAIUNUGX-SJORKVTESA-N 400.479 1.479 30 10 HDEE CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1N(C)C 1309320247 BPTBZLUZHLPVGW-OLZOCXBDSA-N 404.355 1.987 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CC1 1316336009 IJWSZDWIVADBRF-CYBMUJFWSA-N 422.898 1.299 30 10 HDEE Cn1c(=O)n(C)c2cc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)c(O)cc21 1324252593 UYYGMOIWJNJEST-ZDUSSCGKSA-N 405.414 1.446 30 10 HDEE C[C@H](C(=O)Nc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1)n1cccn1 1339495362 FKHSOXVMPZZQAX-HFGXJBEUSA-N 422.445 1.938 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1358948177 WOMQMAVFOYDYLZ-OAHLLOKOSA-N 423.564 1.938 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1358970324 LVMNFMNEJXTVGN-HSZRJFAPSA-N 421.501 1.539 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1359008994 FVNPPFXVTYCBFG-JXFKEZNVSA-N 402.520 1.547 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359023261 FMDYNPOETNHHBW-OAHLLOKOSA-N 401.433 1.505 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1C 1359024627 RDOWARZOCIGDKE-LJQANCHMSA-N 416.547 1.817 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NC(C)C 1359065242 LPHNDDYCLSFYAV-RTWAWAEBSA-N 403.527 1.835 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1359467135 NKAGADDYHLTKRB-LAUBAEHRSA-N 421.542 1.846 30 10 HDEE Cn1ncc(Br)c1CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1435321717 GZQHKGWFSGLYBX-UHFFFAOYSA-N 400.240 1.875 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)CCN3C(=O)CCNC3=S)ccc21 1447795053 VBAYSYROKCVTLG-UHFFFAOYSA-N 413.503 1.705 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2c(F)ccc(Br)c2F)c(=O)nc1O 1453841105 HPZRHBSDRKEGOZ-UHFFFAOYSA-N 413.178 1.220 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1 1456491404 JAFQEYXWUVXSAR-UIFIKXQLSA-N 408.458 1.977 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@](C)(C#N)C1 1458020686 BRWCRTKJLVNRJW-IAQYHMDHSA-N 405.398 1.513 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC 1460134132 YSZMFKJZSWRRKC-KURKYZTESA-N 401.463 1.722 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(CC)c1 1467667682 NGJQEKAYKGILDI-HGKJHCCASA-N 422.551 1.842 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(OCC)cc1 1469876555 HGYHCFMXJRCKLY-UHFFFAOYSA-N 424.519 1.557 30 10 HDEE N#Cc1c(CCCNC(=O)NCC[C@H]2CNC(=O)C2)nn(-c2ccc(F)cc2)c1N 1471268317 PTZSMDJISDFFRD-CYBMUJFWSA-N 413.457 1.223 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 1472318659 LNPZGFWUJYUOQG-NDEPHWFRSA-N 405.524 1.101 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O)C1CCOCC1 1478604035 RQYDPIFMGKMYKD-RBUKOAKNSA-N 415.490 1.532 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2nncn2C)CC1)c1ccc(Br)cc1 1478895590 DGHUOLXAMYEULR-OAHLLOKOSA-N 403.284 1.784 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1)C2 1479037332 RDCJEKQVBIAARY-UHFFFAOYSA-N 402.451 1.807 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1492901060 FHGOIUATXLYBQP-MRXNPFEDSA-N 413.501 1.645 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC(=O)N1C 1494253600 RVGKLDONMGCFBH-INIZCTEOSA-N 411.510 1.062 30 10 HDEE CC[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1499523777 FPVFJLPZDOAJTE-XLIONFOSSA-N 415.519 1.745 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1503476063 DLFZDSMPFLWFMU-QGZVFWFLSA-N 423.477 1.580 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507631714 SCITTZWJFMVTFT-HNNXBMFYSA-N 408.915 1.332 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507638384 QGKUDZLNUQNXBB-HZPDHXFCSA-N 410.540 1.429 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1507675419 DEXCYQCKWPJMOG-ZULIPRJHSA-N 421.501 1.085 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(CCC)C2)CC1 1507724464 QMRQBPGQVSCYFC-NRFANRHFSA-N 407.566 1.751 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)SC)CC1 1507737684 BXTIHLMKFFWOAV-NVXWUHKLSA-N 405.568 1.889 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507785344 QAULVFNMRWHXBX-CHWSQXEVSA-N 419.345 1.704 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1508079618 ANDIAKAMXFXQCK-MJGOQNOKSA-N 416.489 1.724 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1508142678 UPTJLLJJLOVULL-ROUUACIJSA-N 424.567 1.921 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)OCCO2 1509637259 FTKCKOAUGHKHOO-FQEVSTJZSA-N 414.441 1.678 30 10 HDEE Cc1nnc(N2CCC[C@@H](OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511869016 JQUWNTMSEDDRFN-BQASMSSTSA-N 402.499 1.897 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCC(F)F 1516593186 XISZKZVUNWWZGJ-UHFFFAOYSA-N 421.452 1.690 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H]1CCC[C@@H](C#N)C1 1535478737 HMATWVLQSBKOLY-CABCVRRESA-N 408.476 1.955 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](c3ncccn3)C3CC3)C2=O)cc1 1538358164 SWUIRBGLYRHHBQ-WMZOPIPTSA-N 404.430 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)CC1CC1 1539253712 XWQSYCLNPGQHQK-UHFFFAOYSA-N 400.479 1.982 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1539343104 DUUNGLXFOWXRCN-QRWLVFNGSA-N 417.535 1.182 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1539519429 HSYNZUMAGIROLI-HNNXBMFYSA-N 401.540 1.605 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539801526 BYROEMIQUDAKKW-MRXNPFEDSA-N 411.934 1.904 30 10 HDEE N#Cc1ccc(OC(=O)Cc2ccc(C(N)=O)nc2)c(I)c1 1540189641 FNZABILNNHKIRD-UHFFFAOYSA-N 407.167 1.805 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1541800565 CAKGNWHPIUBHFH-AWEZNQCLSA-N 421.498 1.762 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1541989116 GUAJLRPDWFOXGY-UZLBHIALSA-N 416.526 1.584 30 10 HDEE COC[C@@](C)(CC(=O)OC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1544893774 STJJQANGCBEFTJ-FAALFERTSA-N 423.510 1.858 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCSC2)cc1 1555989197 BTMPSEOAVAILKY-OAHLLOKOSA-N 403.533 1.805 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(N)=O)C2)C1 1567686583 QBELXMLMSFTJQZ-LMRCNKRVSA-N 416.522 1.886 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cccc(OCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1585138963 ORFDMIMFFZFBJT-BBRMVZONSA-N 402.394 1.567 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1585487574 MUZQWHZXGBQWLN-UHFFFAOYSA-N 423.473 1.164 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1587568998 ULVMMYICDYMRKJ-TXPKVOOTSA-N 410.540 1.211 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 1587742839 QSCQQWXMEBSAGJ-LJQANCHMSA-N 407.536 1.948 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1587915112 CSNRWBBCMBNSAO-OAHLLOKOSA-N 401.442 1.485 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)C1 1588013797 BJJASLSNUPAFNC-KRWDZBQOSA-N 405.520 1.742 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1588314860 SMTSARTYYYLBRU-VQTJNVASSA-N 422.533 1.762 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1588765417 GSEMYKGMAURSMC-IRXDYDNUSA-N 420.531 1.475 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1594229441 NRBFHACZPJODLM-MRXNPFEDSA-N 417.539 1.562 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC=C 1595537287 PFCBDQGTJZTNDQ-UHFFFAOYSA-N 421.505 1.989 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N(C)C)CCOC1 1610404908 ZQHGBGZUEAEUJH-FQEVSTJZSA-N 404.515 1.537 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1611740692 KMSKGNMRPOUMLX-UNEWFSDZSA-N 414.441 1.565 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC(=O)N1C 1612912570 YFCUZVDMYZCHOD-YOEHRIQHSA-N 421.505 1.398 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC(C)(C)C)c2cccc(C)c2)C1=O 1616262188 HFJCQLONGMLYHU-INIZCTEOSA-N 415.446 1.471 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3nnc(S)o3)C2)C1 1617079027 BFKAPYXLESUODA-LASWEOPPSA-N 407.496 1.804 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)CN2CC(O)(CC#N)C2)cc1 1617442741 DJZMUPIZOVRTPL-UHFFFAOYSA-N 420.535 1.539 30 10 HDEE COC1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1619481722 KKUFIRCEZZSUKU-XGHPGWEVSA-N 423.539 1.114 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)C(=O)OCC 1622450799 ZWRCDTOOJDHJGH-OAHLLOKOSA-N 412.895 1.875 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2CCOCC2)C1 1624113959 IICKPAXHMKLEOI-UHFFFAOYSA-N 407.312 1.595 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(Cc4ccccc4)CCN(C)C3=O)CC2)c1C#N 1625300406 TWKHCYNVFQTHBD-HSZRJFAPSA-N 420.517 1.340 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnccc2N2CCN(C)CC2)c1 1625352109 SWCWGFVDWJJCRP-UHFFFAOYSA-N 412.515 1.883 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCSC[C@H]3c3nn[nH]n3)CC2=O)cc1Cl 1625611330 GJQKJAKZYSCEHK-RISCZKNCSA-N 417.882 1.394 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1626436987 BGBKZDDFNSTPHR-UONOGXRCSA-N 402.538 1.341 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1628661808 CASIVLKONFWYHC-ZMMAXQRCSA-N 402.520 1.776 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(C(C)=O)cc1 1631789702 IFONQWUJEVEZHV-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE CCCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CC(=O)N(C)C1=O 1633776247 ZQMWIKVAMIKTPO-CZUORRHYSA-N 416.865 1.560 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cn1 1634221829 YEGSRIWCAHONCS-QPJJXVBHSA-N 420.466 1.111 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1634999118 UUXCJVNDJFBSOV-UHFFFAOYSA-N 416.953 1.840 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1635346248 PYQXVHQFSODWFN-IRXDYDNUSA-N 403.504 1.031 30 10 HDEE Cc1nc2c(n1CCO)CC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1636193260 IGVSORVQFSHLKS-JKSUJKDBSA-N 419.526 1.745 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 1637460455 VYYJFJAVDXLNFO-VIFPVBQESA-N 406.176 1.929 30 10 HDEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CCCC 1637744846 TVVCVUHAOIAHDC-HNNXBMFYSA-N 420.535 1.130 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3cccc(C)c3)CC2)C1 1638393372 ZTRFHGHCBDZDMC-UXHICEINSA-N 412.534 1.714 30 10 HDEE CN1C[C@@H](CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1638502386 IWHLLJXIFSGTCZ-LBPRGKRZSA-N 405.296 1.742 30 10 HDEE C#CC[C@@H](NC(=O)C1(NS(=O)(=O)c2cccc(F)c2)CCCCC1)C(=O)OC 1638826593 MMNFYDZTDMQQQS-MRXNPFEDSA-N 410.467 1.488 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(n2cccn2)CC1 1639550133 MALNTKWRCLZPSU-MRXNPFEDSA-N 415.519 1.642 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1640460335 ZUMVNNYICMGKEQ-SFHVURJKSA-N 417.437 1.490 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCCC#C[Si](C)(C)C)C1=O 1641159081 HVFCVDAGNCCKRQ-HXUWFJFHSA-N 401.539 1.849 30 10 HDEE C#C[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 1643570474 ANIMRGBUXVWVOX-OAQYLSRUSA-N 411.527 1.792 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1644153315 KLRWSTDKJJUQHN-GFCCVEGCSA-N 422.279 1.189 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 1644249772 FBXGNOCMZHUHLG-RBUKOAKNSA-N 404.555 1.485 30 10 HDEE Cc1cc(O)nc(N2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)n1 1644535748 GXBBKVATWFDMPT-FIWNRLKKSA-N 400.527 1.932 30 10 HDEE C=CCC1(O)CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1651763104 ANYFYKGTMRXPKD-UHFFFAOYSA-N 406.280 1.669 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1652173428 RWCQMPTWCNJYFJ-WMZOPIPTSA-N 406.571 1.426 30 10 HDEE N#C[C@]12CN(C(=O)C3=Cc4ccccc4O[C@@H]3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1653072912 NKGROJHBIUWUGD-YLQAJVPDSA-N 412.389 1.790 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)cc1 1653735335 OLGNWXKBGATRMO-UHFFFAOYSA-N 414.483 1.832 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(c3nc(CC)ns3)CC2)c1 1657407248 OXDRUAJVKWBFFN-UHFFFAOYSA-N 412.519 1.942 30 10 HDEE C#CCC1(O)CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1659929451 QRMGTTXPAASSIR-GOSISDBHSA-N 413.474 1.249 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 1664295444 NHBBXCBJNPXPMT-UHFFFAOYSA-N 420.531 1.599 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cnc(CCc3ccccc3)s2)CC1 1665528716 KWZMJOZPVBCANM-UHFFFAOYSA-N 404.561 1.514 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)C2)nc1 1675264979 UGADENHYJGMKTI-LJQANCHMSA-N 420.473 1.841 30 10 HDEE C#Cc1ccc(NC(=O)N[C@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1681090372 HKVALIJZXVZLRN-CYBMUJFWSA-N 400.460 1.725 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1681244718 AZVWRNCZQQQVDR-GOSISDBHSA-N 408.524 1.295 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1683173224 NSLDDRHAOFMLLW-MRXNPFEDSA-N 409.483 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1684862674 BSSCYYZWQQRRAY-UWJYYQICSA-N 400.479 1.697 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1689986248 LSIVUHBDYRXJFX-HNNXBMFYSA-N 412.475 1.312 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cccnc1 1690013466 PSEVKMKIUBTFRM-UHFFFAOYSA-N 423.480 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1nnc2n1CCCCC2 1690022549 IXFIWENHNBJURW-UHFFFAOYSA-N 400.490 1.703 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(CS(C)(=O)=O)CC1 1690102142 DGYXCEGTGAHWBD-MRXNPFEDSA-N 410.540 1.431 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](C)C2)CC1 1690111573 FNJLDXJBJBXMQM-YESZJQIVSA-N 408.572 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCCO)CC1 1690146316 KYTZTAKKNPBIMJ-GOSISDBHSA-N 403.527 1.648 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCCC2)CC1 1690146789 WXAQUMHFWRVJGI-KRWDZBQOSA-N 401.511 1.053 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1690153845 DFYNXFNTJRZLMQ-INIZCTEOSA-N 414.539 1.314 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1690346588 XRTDHHJMXFSXRB-AWEZNQCLSA-N 418.947 1.768 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1690515537 OLHXNZLATAVFSL-NSHDSACASA-N 407.525 1.564 30 10 HDEE C=CCN(CC=C)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690599141 NOZYFXDQXALJLC-NRFANRHFSA-N 416.547 1.791 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690633174 NQASSVWKLIJUPP-KRWDZBQOSA-N 405.462 1.769 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccn2)CC1 1690671593 ZRJFIOMOOIBVAJ-KRWDZBQOSA-N 411.510 1.196 30 10 HDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)cc1 1690681134 HCCBPPSZRRFIQV-UHFFFAOYSA-N 424.505 1.292 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC(N)=O)C1 1690749406 CAQUQXFOCKQRSP-HNNXBMFYSA-N 406.556 1.412 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1698443504 OLJQEHRFKRMLKA-FHLIZLRMSA-N 415.519 1.865 30 10 HDEE C[C@H]1CN(CCN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)C[C@@H](C)O1 1698461167 ZYQCOAUXWGBZOK-CALCHBBNSA-N 410.522 1.887 30 10 HDEE C#CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705522288 ZOSVMVJPXRYTHQ-YLJYHZDGSA-N 424.567 1.746 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1705529822 FRXWVCNWWLAPOV-UHFFFAOYSA-N 401.478 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1nc(C)cc1C 1705572949 UPEKULVPDXYMGL-UHFFFAOYSA-N 416.489 1.902 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705721651 OEHCADGGOUYBCS-KRWDZBQOSA-N 422.530 1.152 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705829749 BNHWDYUUOCATND-APWZRJJASA-N 410.540 1.390 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N(C)[C@@H]1CCOC1 1705898494 NPNATVBQBBNSLN-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N(CC)CC)CC1 1705905816 IAHDWHQUSHCONL-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1706019791 FBRNGJLYOWKZHQ-IBGZPJMESA-N 423.521 1.790 30 10 HDEE CC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1706961285 CSOMJPKDTUGOKJ-RDTXWAMCSA-N 411.503 1.439 30 10 HDEE Cc1cccc(C)c1NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1707576385 DPRSJJRTFKNSAF-JKSUJKDBSA-N 423.477 1.214 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1710809783 CDWJCRAJMWZQNZ-UHFFFAOYSA-N 410.400 1.968 30 10 HDEE CN(CC1CC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1711133596 BTSNCPCGLWLMKG-FMQUCBEESA-N 407.478 1.637 30 10 HDEE COCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1712422755 DJQJQVWFXCWSKF-HXUWFJFHSA-N 416.457 1.694 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)(F)F 1712565301 CMCGXZQWHGTNQK-QWHCGFSZSA-N 407.393 1.657 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1F 1712647629 FRJGFFQJJPCOPA-BQFCYCMXSA-N 401.442 1.918 30 10 HDEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722315769 ROSPSTWWEPXANE-UHFFFAOYSA-N 400.527 1.522 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1722362350 SUTPENAKYYWJPC-MRXNPFEDSA-N 402.524 1.496 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365507 FCLFWLNTAHENEX-HKUYNNGSSA-N 415.563 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)cc1OC 1722370162 HZBGWXBQVSVRAJ-UHFFFAOYSA-N 421.501 1.847 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1722402338 LLFZUWCTQCIVFE-SJORKVTESA-N 410.588 1.468 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C(C)=O)CC1 1722508967 VJGVOWIHNSKPNY-IEBWSBKVSA-N 413.526 1.718 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722525811 MSGOANXEZBHOFU-NVXWUHKLSA-N 410.478 1.453 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)c2ccccc2)CC1 1722565429 QZOASRXYGVGXKF-KRWDZBQOSA-N 415.519 1.860 30 10 HDEE C=C1CCN(c2nnc(COCC)n2CCS(=O)(=O)N2CCSCC2)CC1 1722569812 PIMUVNFNXSBGTB-UHFFFAOYSA-N 415.585 1.350 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722685368 FWHCDBJEOZUHKJ-MLGOLLRUSA-N 422.473 1.896 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)Cc1ccc(C(=O)NC2CC2)cc1 1722698436 YRPRMWUDHQLNAQ-UHFFFAOYSA-N 408.506 1.986 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@@H](OC)C1 1722701638 YJTGCYGIYMAMST-LJQANCHMSA-N 413.522 1.989 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722739069 DYBFGBNOSXWSLD-UZLBHIALSA-N 423.583 1.905 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 1722865388 FNRRXNBQTOVWDT-DLBZAZTESA-N 400.531 1.775 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1723308657 UFXHRKCZSBTIMZ-UHFFFAOYSA-N 400.483 1.411 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1724438316 MCJVNJFDLFDWCJ-PGRDOPGGSA-N 424.505 1.681 30 10 HDEE CCSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729287545 QAXMKKZYPLWGBJ-JKSUJKDBSA-N 403.556 1.549 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1731181261 NHEJQGMUKVXLEI-RLFYNMQTSA-N 411.503 1.581 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1740557709 MZIOLBOJMPWYCR-IFXJQAMLSA-N 403.508 1.533 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1snnc1C 1740631557 KFOKEVDXUISJPA-IBGZPJMESA-N 400.508 1.600 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740784327 RTDKFDMHOKWBMN-UHFFFAOYSA-N 411.510 1.414 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740900884 AZWFDJOWCCYTFR-IBGZPJMESA-N 406.508 1.049 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)C1)C(C)C 1740928041 ZWGAKFXPIUTYDY-RTBURBONSA-N 416.570 1.807 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740962326 ASCJHGAYQVZFAP-KRWDZBQOSA-N 411.535 1.409 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1740980058 HAYNUCJQWFXXSS-HZPDHXFCSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCOC2(CCC2)C1 1740990939 KFRGLCNGKIFKLW-MRXNPFEDSA-N 410.540 1.880 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1740996086 FZMMILIOCMYNRM-KBPBESRZSA-N 417.601 1.811 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1741983181 HOCBXVYSIVSKTI-KDOFPFPSSA-N 402.890 1.909 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1748637691 DWCFQKWHQOJKET-GCKMJXCFSA-N 410.478 1.721 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1748680312 PXRXQYFCWALWGM-IBGZPJMESA-N 423.565 1.237 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc2c(c1)OCO2 1748685229 WFEPIOJKLMGHLB-HNNXBMFYSA-N 411.462 1.666 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748710262 LJFBFIIQRWBNPO-KRWDZBQOSA-N 421.505 1.390 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1748776479 INCSOSSZNNSBDS-UHFFFAOYSA-N 403.508 1.180 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1748906090 OYCOJMAYKDLDSK-MRXNPFEDSA-N 404.540 1.684 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1748912720 HORWZMXRRMELKL-OAQYLSRUSA-N 422.493 1.414 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(OC)C1CC1 1748960238 FDGNPARNCZPFDZ-NRFANRHFSA-N 415.494 1.907 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1748962247 CTRGKHWNYBXEJH-AWEZNQCLSA-N 423.564 1.333 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(COC)CCC2)CC1 1748979186 WALQVRQRZNSWBM-QFIPXVFZSA-N 417.554 1.502 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2cc(C)nn2C)CC1 1748994162 BMBYBSVMRVAILK-UHFFFAOYSA-N 419.533 1.745 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1749368347 GWHYVIHJGASMRQ-CABCVRRESA-N 409.556 1.449 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1)C1CC1 1749506128 IXVWGVLPPSIKEY-UHFFFAOYSA-N 416.507 1.657 30 10 HDEE C=CCn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1749646178 NTUNQRPQXPPRFH-KKSFZXQISA-N 424.509 1.493 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749659427 BZYRWGMFUMHXJW-INIZCTEOSA-N 410.478 1.067 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1749663626 KVBLUPXSPXVLRP-IAGOWNOFSA-N 413.526 1.765 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCCCC2)C1 1749676602 WRSFTVOLVMTRHE-IBGZPJMESA-N 409.538 1.631 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCSC2)cs1 1751777632 SWGVGJUKOQKHGT-IAGOWNOFSA-N 408.528 1.944 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(=O)N2CCOCC2)c1 1760128526 KTBUJPJNANEDCS-UHFFFAOYSA-N 422.489 1.071 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760146167 DXNBRGHKLLOBHJ-NQIIRXRSSA-N 405.543 1.717 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1760146735 VGPYWGCCKRHLEJ-OAHLLOKOSA-N 400.483 1.072 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc21 1760201944 ODCRSROAKVINTA-IEBWSBKVSA-N 402.502 1.753 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1760227405 DKHOWWAHFUZXGR-NQIIRXRSSA-N 405.543 1.358 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCC2)CC1 1760262100 ZQQNEQIVDQPNDN-UHFFFAOYSA-N 414.554 1.505 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCc1ccc(S(N)(=O)=O)cc1 1760298062 ULFPTGLSAYIXTK-HXUWFJFHSA-N 417.535 1.697 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(C)(=O)=O)cc1 1760453658 DHAIJBOFUUMZBU-UHFFFAOYSA-N 417.535 1.783 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@@H](C)C1 1760527836 KFMLSPUMTDRKNI-INIZCTEOSA-N 415.494 1.783 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)no2)C1 1760534693 DWJHYMMOCVNIDH-KBPBESRZSA-N 410.500 1.014 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2CCCC[C@H]2C1 1760552159 DZDJFEFFVAVKJO-KRWDZBQOSA-N 418.567 1.559 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCOC(C)C)CCOC1 1765923385 OOHYPIDOZDYETB-PXNSSMCTSA-N 407.515 1.864 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1767543758 IAHCELRXGYPLLL-JOCHJYFZSA-N 421.505 1.448 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1769135371 ABYVPJFKHICTQA-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1769283673 POFGEVRQCNJZSN-IRXDYDNUSA-N 421.498 1.673 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1769588191 VOWKWDXDKVYPIC-YCRPNKLZSA-N 410.478 1.480 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCCC1(C)C 1769844772 DGZSCBGVHLDNBW-YWZLYKJASA-N 404.515 1.537 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)CCNS(=O)(=O)c1ccc3c(c1)OCCO3)CC2 1849728087 RXQVKDMOWSKEHQ-AWEZNQCLSA-N 405.476 1.278 30 10 HDEE COc1ccc(OCC(=O)NCC2CCN(c3ncccc3C#N)CC2)c(OC)n1 1850187424 NXBRKKBTVOMIOT-UHFFFAOYSA-N 411.462 1.777 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)C1CCOCC1 1851308259 ZRNNOLFYECAIFS-UHFFFAOYSA-N 417.473 1.912 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(C#N)CC1 1851914263 QNNVQPMZOMRQQN-UHFFFAOYSA-N 407.492 1.482 30 10 HDEE N#Cc1cc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)ccc1F 1852456320 CUUKKKSKSLDJBV-IBGZPJMESA-N 401.463 1.978 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](N2CCC(C#N)CC2)C1=O)n1nnc2ccccc2c1=O 1853765122 DQQHRTISRJYJME-KDOFPFPSSA-N 408.462 1.106 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1854354453 LPTDJGZCXDMYBF-INIZCTEOSA-N 419.503 1.693 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4c(OC)cccc43)CCC2=O)CC1=O 1855241037 PPICKNIPQUAWKM-IAGOWNOFSA-N 411.502 1.857 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)c4cccs4)C(=O)C3)C2)cc1 1856093758 GVKASGBPZJANAK-GOSISDBHSA-N 422.510 1.861 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCCCC1 1856097939 AFBPNRFLGYLYOT-UHFFFAOYSA-N 405.520 1.785 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)CN3C(=O)COc4ccccc43)C2)CC1 1856147669 SJENRXJDCGZOSV-KRWDZBQOSA-N 410.474 1.413 30 10 HDEE CC(C)c1cc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)no1 1857146355 DRAAIPPLMHTWTB-INIZCTEOSA-N 409.450 1.021 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)C1 1857410833 DRWKVCZIWDNICJ-GCJKJVERSA-N 414.481 1.368 30 10 HDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562239 UEURODCTHOSGKY-UHFFFAOYSA-N 411.554 1.535 30 10 HDEE C=CCn1c(C(=O)NCCc2ccc(OC)cc2)cc2c(N3CC(O)C3)ncnc21 1873594729 ZRCTVVKZGPNBMC-UHFFFAOYSA-N 407.474 1.779 30 10 HDEE C=CCn1c(C(=O)N2CCOCC2)cc2c(NCCCN3CCOCC3)ncnc21 1875230019 LCNHBYQESNYGQD-UHFFFAOYSA-N 414.510 1.224 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1 1889491721 APKCNORBYOLTSP-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](Oc3nccnc3N(C)C)C2)cs1 1889561470 ARQDHXQHKFEOMX-CYBMUJFWSA-N 416.507 1.599 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNCc1occc1B1OC(C)(C)C(C)(C)O1 1985187248 XBZLAGBNKYMODS-HXUWFJFHSA-N 410.320 1.944 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2cnsc2Br)c1=O 2119237051 KCZWNDDPVCGYGT-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE COC1CN(S(=O)(=O)N(C)Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2161947320 LGRNTFNNTWBTCA-UHFFFAOYSA-N 402.347 1.055 30 10 HDEE N#CC1(CS(=O)(=O)NCCn2cc(I)cn2)CCCC1 2166362869 QXNGMTOUPATOGC-UHFFFAOYSA-N 408.265 1.491 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)OC(C)(C)C)C1 2175163536 PFXIAXWNAOOZLE-RVKKMQEKSA-N 401.529 1.728 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(OCc3ccccc3)C3CNC3)ns2)OC1(C)C 2243418487 DTPWKFKFCMWVFQ-UHFFFAOYSA-N 415.324 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243679466 YJKBDKQUTCUSFE-HUUCEWRRSA-N 410.320 1.908 30 10 HDEE Cn1nnc(Br)c1S(=O)(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251301295 ZWKYGLWTCKSLMD-VOTSOKGWSA-N 407.099 1.044 30 10 HDEE C#CC[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181450 NWOQZWHLDFDGGS-DLBZAZTESA-N 408.476 1.574 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267722038 SVYOBOSXFYYABU-XMMPIXPASA-N 405.372 1.237 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CSC[C@H]3C(=O)O)s2)OC1(C)C 2269035780 HCVLZAOYIXEUFK-VIFPVBQESA-N 405.328 1.196 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)CC1CC1)NC(=O)OCc1ccccc1 2270513226 CYQCSIPWDUNOAH-QGZVFWFLSA-N 423.491 1.410 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282010068 TYODDENDUKMKPQ-WDEREUQCSA-N 402.347 1.336 30 10 HDEE COC[C@H]1C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316901 JKYLXSCXCNZQDL-QWHCGFSZSA-N 401.359 1.917 30 10 HDEE CCS(=O)(CC)=NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282418618 JONBVLQQPOKTDF-UHFFFAOYSA-N 405.351 1.224 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)Nc2nc(CN)cs2)OC1(C)C 2282488762 DQQPPDFFKMPCGN-UHFFFAOYSA-N 416.359 1.299 30 10 HDEE COC[C@@](C)(CCO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496458 BBXGAGSHTKSCDP-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCS[C@@H](CO)C2)OC1(C)C 2282502099 GRNOQCALDVQWDG-CYBMUJFWSA-N 419.399 1.287 30 10 HDEE CC(C)[C@@H](N)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282507334 GEMHNYZQYCOYOG-LBPRGKRZSA-N 403.379 1.235 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282587695 AUMWUCBIASZMDO-RYUDHWBXSA-N 401.359 1.941 30 10 HDEE CO[C@@H]1C[C@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282624615 NAEPZVXZICMXKS-WDEREUQCSA-N 401.721 1.923 30 10 HDEE C[C@H]1CO[C@H](CO)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282640781 RSFBWYWWBBVUHY-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H](O)C3)c(Cl)c2)OC1(C)C 2282824873 FHTXKSKDPCJJJQ-AULYBMBSSA-N 401.721 1.688 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C[C@H](F)C1 2282832148 KLIGXWWDPZYJFI-RYUDHWBXSA-N 405.322 1.449 30 10 HDEE C[C@H]1CO[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838545 PZLGVILGWKYKQG-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE CCCNC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848081 IUFFMNFLDYZYOH-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE COCC(C)(COC)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856526 UKTFRYCZDBKDFI-UHFFFAOYSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]34COC[C@@H]3C4(F)F)c2)OC1(C)C 2282860361 YXHWWVHTGINNAF-IINYFYTJSA-N 407.269 1.360 30 10 HDEE CNC(C)(C)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282867302 WSUBZCRWQXVEHM-UHFFFAOYSA-N 402.753 1.916 30 10 HDEE C[C@@H]1CO[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876939 KRYPXGZSSRREAE-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE CC(C)SC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2284381738 MLHUMVJXMCXYCP-NSHDSACASA-N 400.331 1.767 30 10 HDEE Cc1cc(S(=O)(=O)N(CC(=O)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2284393261 IYELJFKVFNBRFR-UHFFFAOYSA-N 401.315 1.593 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](F)C(=O)O 2284397384 LMWSGHKYBWEAJA-JTQLQIEISA-N 407.294 1.447 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CC(F)(F)C[C@@H]2C#N)C1 2286065779 NFLFMOJATFYMLK-VXGBXAGGSA-N 407.439 1.170 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367786434 ICMOBTXBTIYLSC-QLFBSQMISA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788515 AJALPINANYDLRW-UONOGXRCSA-N 401.481 1.436 30 10 HDEE CCOC(=O)C1=C(C)N/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C1=O 33420398 RONQBXCJCBDLKN-BOPFTXTBSA-N 423.425 1.885 30 10 HDEE CC(C)NC[C@@H](O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 43414893 ARVBAHIIPSXVME-SNVBAGLBSA-N 405.192 1.809 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H]2CCN(c3sccc3C#N)C2=O)CC1 434842066 NTSGNUKEDHVWIX-YJBOKZPZSA-N 415.563 1.790 30 10 HDEE CO[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 440234462 KGYSEJLHDMYCLW-SJORKVTESA-N 406.508 1.388 30 10 HDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447788264 UEXAGKBPYSIEHN-UHFFFAOYSA-N 407.499 1.143 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C 465291878 ZFPXMFCIHQFVRK-HKUYNNGSSA-N 407.522 1.741 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)cc1 470394639 SJJGUHJZKXWJIO-INIZCTEOSA-N 413.430 1.832 30 10 HDEE CNS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)s1 478847756 JGYRTPATFGHRAU-UHFFFAOYSA-N 403.482 1.287 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479076269 YOAWZRSTAHIWOW-HZPDHXFCSA-N 423.491 1.061 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 483084456 NDQJAIMRDRKJPR-CKJXQJPGSA-N 403.454 1.972 30 10 HDEE CN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 485306913 SKEUEGVZRMTPFT-UHFFFAOYSA-N 405.398 1.747 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 487098732 SNSKMHFJDPVKPS-KBPBESRZSA-N 410.430 1.932 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(COc2ccccc2C#N)o1 487126382 VAPYWKFPXOUUQW-KBPBESRZSA-N 413.430 1.916 30 10 HDEE Cc1ncc(S(=O)(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)cc1C#N 489109238 PALNMTPVXGCFKL-UHFFFAOYSA-N 414.487 1.440 30 10 HDEE Cc1noc(CN2CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 500319414 VUDBCPQTYOCFTN-LBPRGKRZSA-N 400.508 1.945 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1ccc(C(=O)OC)cn1 506959731 GKDUVYZLSXYZFP-UHFFFAOYSA-N 400.420 1.077 30 10 HDEE C=CCn1c(N2CCN(C(=O)COC)CC2)nnc1C(F)(F)Oc1ccccc1 508862445 DSFHSLLDUXUSAJ-UHFFFAOYSA-N 407.421 1.887 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 508913772 QMVUAEWBIUIRAB-KRWDZBQOSA-N 421.523 1.275 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCC(C(=O)N2CCCC2)CC1 523498553 RPSHPZOHJIVZRC-UHFFFAOYSA-N 406.490 1.986 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3ccccc23)CC1 533546432 UMUDNPCDVCVNEV-LJQANCHMSA-N 408.506 1.045 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3ccc(F)cc3F)CCOCC2)C1=O 534108445 YUZBBSMSZBGBFV-UHFFFAOYSA-N 407.373 1.064 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)CCCc1[nH]nc(N)c1C#N 536343204 GEVNCXKSQGKYCN-WMZOPIPTSA-N 409.538 1.507 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 549326194 KEHZBWDKJYLKJN-JKSUJKDBSA-N 423.583 1.887 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CC(=O)NC(C)C)CC1 549603927 MNLYOZGSHSWPLR-UHFFFAOYSA-N 400.527 1.879 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccoc3)n2C[C@@H]2CCCO2)CC1 555397985 AQGTXCPJRJPKMQ-KRWDZBQOSA-N 400.483 1.141 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1F 577092742 FDWSUCOVWOMRRE-UHFFFAOYSA-N 413.428 1.977 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)O[C@H](C)COC)cc21 586312422 GMPWFRADPXPIGW-DBDZUICISA-N 409.460 1.108 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(C(=O)CCc3ccccc3)C2)c(F)c1 586861937 DUFXOCFATIPQOJ-IBGZPJMESA-N 422.460 1.663 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 603739696 MOKZQMXTGMKLMD-QZTJIDSGSA-N 408.545 1.986 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(Cc3ccc(C)cc3)s2)CC1 605416701 FMFHYWGXWBWAHK-UHFFFAOYSA-N 414.535 1.889 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670220381 YZEUZMMCZCGXIX-UHFFFAOYSA-N 408.528 1.161 30 10 HDEE C=CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 679473624 ASPAVFYAFXKHTL-UHFFFAOYSA-N 402.416 1.008 30 10 HDEE C#CCN(C(=O)c1ccc(OCc2noc(CC)n2)cc1)[C@H]1CCS(=O)(=O)C1 734426851 YORGAUZYKWYQGU-HNNXBMFYSA-N 403.460 1.474 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C[S@](=O)CCOC)c2)CC1 735868919 XKAHWBCJPFLFCT-GDLZYMKVSA-N 422.551 1.033 30 10 HDEE C[C@H](CC(=O)NC[C@@H](O)Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 743336821 NVBZGPREGNMGEF-ZBFHGGJFSA-N 401.488 1.224 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c2ccccc2O1 747496510 MJTDMFSHCWIUGT-SFHVURJKSA-N 409.398 1.150 30 10 HDEE Cc1ccnc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 754475963 AFATYTSDXFEMFK-HNNXBMFYSA-N 413.503 1.730 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 766801034 VUWNELUGUSGDLZ-UHFFFAOYSA-N 416.478 1.569 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1 766852180 PJGIXWAMURGPEQ-MJGOQNOKSA-N 418.519 1.613 30 10 HDEE CC(C)N(C[C@@H](O)COc1ccccc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 770566201 BRUHHEBGBJBDDX-ZBBYCGENSA-N 416.478 1.373 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCc2nnnn2C)C1=O 771535992 BIUPQBZQTHGGJV-OAHLLOKOSA-N 415.523 1.644 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cn1 772311039 JNJBCFVIWQFXHJ-UHFFFAOYSA-N 407.455 1.115 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@H]1CCCO1 776227365 XGWARVLYHGFVAH-ZWKOTPCHSA-N 405.882 1.753 30 10 HDEE Cn1ncc(Br)c1C=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 782218901 INNVORHGPZVHAE-UHFFFAOYSA-N 402.230 1.544 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CCN(CC(F)(F)F)CC1 792445845 QYIGZFPEFWKPJF-ICDILTBESA-N 402.417 1.682 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 794745665 PMKARWKGTJUOSK-ZBFHGGJFSA-N 416.503 1.801 30 10 HDEE CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cc1C 795146445 HFDVVCSMGLLSNK-UHFFFAOYSA-N 409.489 1.262 30 10 HDEE C[C@@H](C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)n1cnc(C#N)n1 798742194 IMELFYNHEQYVOI-NSHDSACASA-N 417.472 1.981 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOC)CC1 802490606 NKXDIWUXRCKQMH-UHFFFAOYSA-N 419.917 1.064 30 10 HDEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 806737479 SVVYCRTXLQNJBK-HNNXBMFYSA-N 422.507 1.319 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 810983466 TXIKSJKBWFABQN-GDBMZVCRSA-N 408.524 1.663 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)CC(=O)N2CCN(C(=O)c3cccs3)CC2)c1 917155859 HNJLYGXIKGXOEN-UHFFFAOYSA-N 424.526 1.584 30 10 HDEE CC[C@H](C)NC(=O)CSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1083927825 JJXMESCAQATGIW-VIFPVBQESA-N 423.455 1.880 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1128731928 UADRGTHPKSDEFB-OPAMFIHVSA-N 406.442 1.901 30 10 HDEE CN1CCn2nc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cc2C1 1132844756 CGSIQOVKSZPGBN-INIZCTEOSA-N 407.434 1.044 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1133811359 RROVSMXHMPJWJG-UHFFFAOYSA-N 416.297 1.240 30 10 HDEE C=CCCCN(CC)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1134592833 MWBDADMXQLYASE-UHFFFAOYSA-N 407.536 1.968 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)CCCOc1ccc(C#N)cc1OC 1134706674 RMWNGURYLXVTBN-FQEVSTJZSA-N 400.435 1.670 30 10 HDEE CCCCNC(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1135867488 UXRBAZWXXALKJM-HNNXBMFYSA-N 413.496 1.554 30 10 HDEE C[C@@H](CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)NC(N)=O 1136704205 OPKZUMGCJAGXPC-SWLSCSKDSA-N 408.300 1.605 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(Br)cc1 1141447968 WLHOCJHFNZNYPX-AWEZNQCLSA-N 423.292 1.691 30 10 HDEE COc1ccccc1-c1nnc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)o1 1142085563 BTLNFEZAFDEOML-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cnccn1 1143589255 QIVFJTVSNVKYDH-ZFWWWQNUSA-N 401.492 1.951 30 10 HDEE C#CCSCCNC(=O)c1ccc(I)cc1-n1cnnn1 1147343456 USDSOPIQFBBKNU-UHFFFAOYSA-N 413.244 1.363 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1148406472 RNCBAOLMSFCHFC-MRXNPFEDSA-N 403.504 1.271 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1 1159047906 SEFYICYXILTOFF-KBPBESRZSA-N 409.508 1.630 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C1 1163652311 OOHDMPPIEPDQIE-KRWDZBQOSA-N 415.494 1.236 30 10 HDEE C#CCNC(=O)CCN1CCC(N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1176166260 FGQJKGIFXANLLP-OALUTQOASA-N 404.555 1.674 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](Nc3ncccn3)C2)CC1 1176808966 XEIVPGHFKXCSPY-PMACEKPBSA-N 423.496 1.511 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2nc(Cl)ncc2s1 1185753440 OMBVJSAPCUCFAI-VIFPVBQESA-N 407.926 1.709 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N=c1cc[nH]cc1I 1202923804 QVFZPEZHKMHFAE-UHFFFAOYSA-N 415.231 1.917 30 10 HDEE CC1CCN(C2CCC(NC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2)CC1 1224741143 GSQRUUOYDCTYEK-UHFFFAOYSA-N 414.510 1.430 30 10 HDEE C#Cc1cccc(CNC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)c1 1230086833 PZTLQNBVDAFKIC-OHTSDLOESA-N 404.488 1.366 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248376522 ZTBORFPJGCHRDC-FXAWDEMLSA-N 414.554 1.230 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCCO2)cn1 1251446275 LBEPXIBJQZNCOR-OAQYLSRUSA-N 412.469 1.968 30 10 HDEE Cn1cc(C(C)(C)NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1276999573 MOKIRQOECSMLFJ-UHFFFAOYSA-N 416.507 1.139 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1286291231 UIUMCXALSUMZHF-YOEHRIQHSA-N 417.473 1.939 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286389612 NJWOPKMNSGOSOQ-KRWDZBQOSA-N 400.504 1.839 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1286430376 HGIKQIHBDZILBO-ZWKOTPCHSA-N 416.547 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCN(C(C)=O)C1 1286432723 VKWRXFMALHGACF-OAQYLSRUSA-N 421.549 1.861 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ncnn1C(C)(C)C 1286467029 PXUIODJBPIHQOC-UHFFFAOYSA-N 408.510 1.745 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286546504 BABQYLJZRPODTC-OAHLLOKOSA-N 414.348 1.882 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1ccc2c(c1)OCO2 1286825416 QSQZSMOHPWZSRF-UHFFFAOYSA-N 416.463 1.752 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1286970877 QWYWBHZUTFFSKQ-IBGZPJMESA-N 423.565 1.764 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccn1 1288815750 ABSKQFYYZNHIAJ-OAHLLOKOSA-N 417.539 1.656 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 1290342311 FFDMHKWSWJWHIQ-ZWKOTPCHSA-N 405.495 1.749 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1cnn(C)c1 1291194782 DTDBYQSWBIIHCY-HNNXBMFYSA-N 420.525 1.734 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)cc(Br)c2N)CC1 1292889572 FSQBVVKQVQBIRQ-UHFFFAOYSA-N 411.275 1.068 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)c(C)c1 1297278478 JEBVKILDAIFVRP-OAHLLOKOSA-N 409.508 1.565 30 10 HDEE CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1297565971 FBOTVUIVNCVFAV-UHFFFAOYSA-N 407.482 1.308 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C4CCC4)CC3)C2=O)cc1 1297985199 NCBLKGSTJIFPFT-LJQANCHMSA-N 409.490 1.896 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300339331 MGFSOVSKXTZNEM-OAQYLSRUSA-N 407.478 1.588 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCC[C@@H]1NC(=O)NC1=O 1300455653 NSCNRMWHFLZPPU-HNNXBMFYSA-N 419.445 1.658 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)cc1 1300545680 UOJQHFRJDPEAMV-UHFFFAOYSA-N 404.474 1.480 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NC(C)(C)C 1300595460 AYEKBNHBZJNRKM-HKUYNNGSSA-N 415.538 1.770 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1300605047 VIOUMLRINLMESQ-UHFFFAOYSA-N 423.477 1.575 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN(C)c2ccccc2)CC1 1300696295 WVOAMKNKHIJNKU-UHFFFAOYSA-N 404.522 1.570 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC(=O)N(C)C)CC1 1300709946 MDYHTVKNSQKDHU-UHFFFAOYSA-N 424.549 1.653 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cccn1 1300780302 PBAPUNGFJNSDBU-MAUKXSAKSA-N 405.528 1.167 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300869588 MUDYPHPLVFSUOE-RBUKOAKNSA-N 403.527 1.643 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1301174472 RXFGSVOZTUFLJS-HNNXBMFYSA-N 412.560 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1301578790 IYFVIHCSDAPKHG-OAHLLOKOSA-N 419.507 1.249 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1302026518 GPSZCNSWCXYEME-GIYDNNGJSA-N 423.489 1.782 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cc(F)c3N)C[C@H]1CS(=O)(=O)C2 1304272349 RUWGTKNYDZBDBE-RMLUDKJBSA-N 402.245 1.181 30 10 HDEE C#CCOCCN(C)C(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1306016385 RTPKJHPNNMDNJY-UHFFFAOYSA-N 412.817 1.745 30 10 HDEE C[C@@]1(Cc2ccc3c(c2)OCO3)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1307272568 RJFOCPMLLWFPPL-QFIPXVFZSA-N 405.410 1.952 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2cc(F)ccc2F)c1=O 1307378283 BTIPUPMTMAWRGD-UHFFFAOYSA-N 420.372 1.140 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(CC(=O)N(CCC#N)CCC#N)C2)C1 1308073531 RFJXKEHISJTUOH-HXUWFJFHSA-N 405.499 1.354 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ccccc2C(=O)OC)c1 1309890046 LBPJSIHPCZGYTJ-UHFFFAOYSA-N 402.472 1.910 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 1310636466 DJWIMEHUGZTRFR-UHFFFAOYSA-N 419.551 1.684 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1314109930 BSTOJNLYRDTUKX-ORYQWCPZSA-N 419.526 1.600 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1314525563 LTDBIYSHVPBUDF-UHFFFAOYSA-N 401.452 1.119 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc3c2NC(=O)CO3)c1 1351602098 PSRFPABRLPIMDT-UHFFFAOYSA-N 419.437 1.504 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](OC)C(=O)OC(C)(C)C)c1 1351602413 WUUDJRGUBZRCLY-IBGZPJMESA-N 416.474 1.216 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1358886907 MLAJVAAEDHTRBY-YOEHRIQHSA-N 410.478 1.126 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2nnn(C)n2)c1 1358902491 PTTLBWIELFCFHG-UHFFFAOYSA-N 405.466 1.174 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NCC)c1 1358954306 CSNZQIGDHMQVBC-OALUTQOASA-N 411.506 1.870 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358956774 KMTWHBJQPZCFKC-OWCLPIDISA-N 421.567 1.333 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1358982266 PUOOATKYEKVWSK-UHFFFAOYSA-N 404.474 1.670 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](C2CC2)N(C)C)CC1 1359043699 DZUKFVUPHFNTDA-LJQANCHMSA-N 422.537 1.041 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnn(CC)c2)CC1 1359044220 ZWPUSBLOHSHPIB-UHFFFAOYSA-N 406.494 1.504 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCNS(C)(=O)=O 1359093709 RCLXFXGJNVWWCS-RDJZCZTQSA-N 423.539 1.813 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCn2nc(C)nc2C1 1359302143 XRWBWQFGMVBIQO-UHFFFAOYSA-N 406.494 1.400 30 10 HDEE Cc1nc(=NC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)n(-c2ccc(C#N)cc2)[nH]1 1435278154 NYVXKBRBSADYIC-WEVVVXLNSA-N 400.398 1.852 30 10 HDEE CC(=O)NC1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1442651008 WANNCYQVGJFBIK-UHFFFAOYSA-N 405.296 1.884 30 10 HDEE Cc1cc(C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)cc(C)c1C#N 1443490055 IONFVKUDVPUMLH-LJQANCHMSA-N 419.547 1.527 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1447365040 SCBUHSVMHSZJPA-INIZCTEOSA-N 407.341 1.943 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)C2=O)cc1 1448832840 BLDCPDYAEPQAGW-KKUMJFAQSA-N 408.380 1.090 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](C2OCCO2)C1 1455875527 FKWAQNFOFFWFIC-OAHLLOKOSA-N 421.519 1.507 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ncnc3cc(Br)sc23)CC1 1458164931 ZOXRNYILEMXZAO-UHFFFAOYSA-N 408.325 1.715 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 1460866807 XZUONAXNYAHBIC-ZDUSSCGKSA-N 400.460 1.314 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1463552462 LRFKDLXOGDQSGN-ZDUSSCGKSA-N 415.309 1.320 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)c3cccc(C#CCO)c3)cc2)CC1 1464829404 JRBONFXJJHEJFV-UHFFFAOYSA-N 420.513 1.493 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464928038 VOIJDVVQCIWHPM-IAOFPLEJSA-N 408.499 1.959 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNc2ccc(S(C)(=O)=O)cc2)c1OC 1464937658 BEDMFWTVCXYDST-MRXNPFEDSA-N 403.460 1.900 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@H](C#N)CO 1468042906 GMVDVVHQNOJVOX-WBVHZDCISA-N 407.517 1.240 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](N2CCCC2=O)CC1 1468992010 FIKYJHHZVMRSFT-NVXWUHKLSA-N 418.519 1.229 30 10 HDEE COc1cc2nc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)c(=O)n(C)c2cc1OC 1469871467 BIMVTGRCZPPLIB-KRWDZBQOSA-N 422.441 1.628 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCN(CCC#N)CC1 1471237369 RPJPPGMVUQIFDY-UHFFFAOYSA-N 414.325 1.833 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OCC)cc1 1471781420 VMXVOQZLQIZRRW-WBVHZDCISA-N 410.492 1.382 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1475618604 XJTPLQUOSUTVSJ-UHFFFAOYSA-N 414.549 1.256 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)NC(C)(C)C)CCOC1 1502618209 HIPWKODSKMXKKS-FOIQADDNSA-N 406.531 1.973 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C#N)c1 1503687905 IAFCAEUOGQXDCJ-UHFFFAOYSA-N 411.510 1.697 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(C#N)o1 1505054738 IQJHPIKVDCMJNT-KSSFIOAISA-N 416.482 1.476 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1505319962 PQQJEKPADQKTFF-MOPGFXCFSA-N 424.461 1.263 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CC(=O)NCCC)c1 1507550048 SUAZTMBCDIXFQL-UHFFFAOYSA-N 419.489 1.856 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1507570456 PGIZJUKLELENQR-UHFFFAOYSA-N 421.548 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@@H]2C)CC1 1507736344 IYFILLZZGBVRKH-PKOBYXMFSA-N 422.533 1.979 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)OC)C1 1507751218 FIDICJXRAHIAJX-ZDUSSCGKSA-N 417.491 1.372 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1507966718 BIOWYJCCAXSAKR-YESZJQIVSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508077107 XJBXRMROTBKYAT-UHFFFAOYSA-N 406.428 1.726 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)(C)C)C1 1508108183 FKKQBPIGLLUJNI-OAHLLOKOSA-N 406.531 1.360 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CCC(=O)NC)C1 1508128455 NXLWPYJQBITWOE-OAHLLOKOSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1508139967 FLZKXKCYJFZXNO-OAHLLOKOSA-N 416.569 1.160 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)CCOC1 1509800927 ALQNZRXLNMEOLQ-LJQANCHMSA-N 400.487 1.350 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512211134 ZZUYCPQRLNCHRB-UFOSLELVSA-N 408.466 1.498 30 10 HDEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1513523347 BGVQPUJGAJGKOW-INIZCTEOSA-N 409.556 1.861 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1514022604 LBBJMSHWXDZPJZ-FKQWUUPDSA-N 422.493 1.886 30 10 HDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1514814047 DHQGPOGCNSDBMX-INIZCTEOSA-N 415.523 1.183 30 10 HDEE COc1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1F 1518220878 DQHRSSVQGKUVIW-GDBMZVCRSA-N 414.441 1.348 30 10 HDEE Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539118081 GVYHRXTWAGLJIJ-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539171711 NXOMBAUSLIHFHA-OAHLLOKOSA-N 412.519 1.777 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539202599 JSZSELBHEDAKKE-OXWSONJVSA-N 412.581 1.329 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1539392860 XZFLAFZIYAPWSX-UHFFFAOYSA-N 420.514 1.125 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)=O)CC1 1539519495 HSIHNAWRMYLHIX-UHFFFAOYSA-N 413.547 1.912 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539709895 IQUVDBKFECBQSN-UHFFFAOYSA-N 415.523 1.731 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539918783 REBJQEGYRRPVQF-IAGOWNOFSA-N 413.526 1.933 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1540860347 FUIAUQFFUMEJKY-UHFFFAOYSA-N 416.501 1.829 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1540891266 RMLFBBRQTVHZJG-RBUKOAKNSA-N 419.570 1.799 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1540891923 BVPJLVZUNDDQAO-HOTGVXAUSA-N 410.540 1.267 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1541096644 WXVLECNFYKYABZ-ZDUSSCGKSA-N 403.512 1.392 30 10 HDEE CC(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541308887 BWXYMWXEQZSMQM-QZTJIDSGSA-N 404.559 1.952 30 10 HDEE C#CC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C(=O)OC 1556969704 BPEVXNZMCKWVED-HOTGVXAUSA-N 412.533 1.076 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](n3ccnn3)CC2)cc1S(=O)(=O)NCC#N 1557705558 AIZRSRMDAOUTLS-INIZCTEOSA-N 402.480 1.256 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2S(C)(=O)=O)c1 1558267175 VJBZORIZFZEIPA-UHFFFAOYSA-N 419.524 1.860 30 10 HDEE N#CC1(CNC(=O)Cn2nc(Br)c(Br)n2)CCOCC1 1558776307 UKTZIVRZWITNDQ-UHFFFAOYSA-N 407.066 1.240 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)CCO2)cc1OC 1558829474 WGTXOYZWOVYOQH-UHFFFAOYSA-N 414.480 1.413 30 10 HDEE C=CCn1c(C)cc(C(=O)Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)c1C 1559466707 ROTPQZPVUILRIW-UHFFFAOYSA-N 400.460 1.531 30 10 HDEE N#C[C@@H]1CCCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1563509811 ARVMFZPKXVVFIG-INIZCTEOSA-N 406.508 1.294 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 1563964790 ALMHJASWQQJBAL-SFHVURJKSA-N 408.499 1.462 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2[C@@H]2CCCCC2=O)c1 1566709906 FFMDNKVELQJWQY-YOEHRIQHSA-N 408.451 1.723 30 10 HDEE CNC(=O)[C@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1570491505 VDXOTJXILSFDSR-WMZOPIPTSA-N 412.490 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(C)=O)CCCC1 1574470206 YWETXUNUTAFFQC-LFDJNIOPSA-N 403.523 1.665 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 1585722113 DKIYPEZYWPZZGP-UZLBHIALSA-N 414.487 1.498 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CCN1C1CC1 1587316779 CZLNBSZRJLDLLU-CYBMUJFWSA-N 402.252 1.722 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@]4(CCS(=O)(=O)C4)C3)cc2C1=O 1587557697 IYZKIUBGADMJJR-HXUWFJFHSA-N 402.472 1.510 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1587620300 BYGSZJMNSFTFIK-JKSUJKDBSA-N 414.510 1.432 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1588045259 IEBPNWZJHSOWCD-KRWDZBQOSA-N 417.535 1.337 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1588073828 FLIZCHGPAKHNLE-GELVUNECSA-N 422.551 1.595 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nccs1 1588084892 XTRZAYSZOGTKEB-ZIAGYGMSSA-N 406.537 1.221 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1588128945 VRQOXMYXLXUROJ-INIZCTEOSA-N 414.510 1.559 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)CC1 1588199552 UORTZMOJMDZLGO-UHFFFAOYSA-N 414.531 1.628 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N(C)CCNS(C)(=O)=O 1593914208 FHFSRDOSLHPFIY-UHFFFAOYSA-N 413.931 1.903 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1594498393 UUCXKJIYYQIAPD-KRWDZBQOSA-N 404.559 1.595 30 10 HDEE C=CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1594774220 JAFDHWDUTRRJEM-XLIONFOSSA-N 407.515 1.238 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCS(C)(=O)=O)C1CC1 1595020285 CNZXVRMGKYPECL-UHFFFAOYSA-N 404.496 1.515 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC)C1CC1 1595054691 PBZMFSWRZWGFBW-GOEBONIOSA-N 413.544 1.048 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595866305 FWIWJZGZDJWYSX-ZBFHGGJFSA-N 401.540 1.560 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1596891693 KHIDVVTZLCTXRW-HZSPNIEDSA-N 407.496 1.553 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 1598065239 BBUHHHWPIPLLCB-UHFFFAOYSA-N 401.442 1.383 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1598197552 YCGSJOFBZZALGE-APWZRJJASA-N 400.439 1.989 30 10 HDEE C=C(Br)CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1598275254 FQMVXIXYNLLZAR-UHFFFAOYSA-N 409.327 1.532 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)n1 1612493424 UXVCQXWOFFHPAM-QRWLVFNGSA-N 414.489 1.496 30 10 HDEE Cn1c(N2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1612988184 BOYNGSDCTPOURI-RNODOKPDSA-N 403.483 1.229 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@@](O)(c3ccc(Br)cc3)C2)c(C#N)c1=O 1613013041 ADZHXIUTCOCNPD-KRWDZBQOSA-N 405.252 1.196 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1618867433 YQDYYGMCOTZTTD-QGZVFWFLSA-N 408.462 1.485 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1619038985 BZLRHMPZWZQCEU-UHFFFAOYSA-N 419.507 1.103 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1c(C#N)cccc1[N+](=O)[O-] 1620428169 BHKMTRRPOTVZES-LJQANCHMSA-N 406.439 1.554 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)CC(=O)N2CCN(C)CC2)n(-c2ccccc2)c1C 1620462465 BDKMIYVYDUSTCN-UHFFFAOYSA-N 422.533 1.610 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1620560758 DDPKKAFTIGEUCE-HNNXBMFYSA-N 417.453 1.044 30 10 HDEE C=CCOc1c(Br)cc(CN[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1OC 1620999691 BNILTLBLPNJMBA-ZFWWWQNUSA-N 420.325 1.924 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2Br)CC1 1621696172 MFEJCBCSWJWEGX-UHFFFAOYSA-N 415.309 1.565 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1622296951 MUJMVCURIWTTEA-UHFFFAOYSA-N 415.943 1.689 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@H](C)OC[C@H]2C)cc1 1622886509 IULYJLAGRNODRM-CVEARBPZSA-N 410.540 1.724 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(c3cccnn3)CC2)c1 1625200362 HCTNFIFNGOVWDA-UHFFFAOYSA-N 403.439 1.312 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCCN(c2ccccc2C#N)CC1 1627976593 KPDYRSXBOKMWEZ-UHFFFAOYSA-N 404.517 1.928 30 10 HDEE C[C@@H](COc1c(F)cccc1F)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1629057619 KJRQXSPBFNVJMR-LBPRGKRZSA-N 409.414 1.698 30 10 HDEE N#Cc1c(F)cc(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1F 1630916011 FKISHBXBKSSSQP-CYBMUJFWSA-N 411.364 1.974 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)c1 1631704037 BIUWALFSBPGSOZ-VQTJNVASSA-N 406.490 1.069 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](CO)Cc2ccccc2)s1 1632713176 BNAGCCGEFGWRDH-INIZCTEOSA-N 408.545 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@](C)(C#N)C3)CS(=O)(=O)[C@H]2C1 1633641082 PISKVLKSHCGPLO-BKEDOTJMSA-N 411.524 1.419 30 10 HDEE C#CCN(C(=O)[C@@H]1OCCN(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 1633714331 SHIZDXAFJZVYFP-GDBMZVCRSA-N 407.264 1.592 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)c1OC 1639027745 WMQIDPHTTTUZHZ-CQSZACIVSA-N 417.487 1.867 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2Cc3cccc(C#N)c3C2)CC1 1639583535 GGNBEKHHTIXWNT-UHFFFAOYSA-N 413.503 1.841 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1640285710 ZVCBCHDVEQBJJM-YJBOKZPZSA-N 413.430 1.909 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1640677932 LZGXUDSLUUAEJG-CXAGYDPISA-N 415.389 1.735 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1641702765 ZCZKESAKXKQSMM-AYBZRNKSSA-N 421.375 1.744 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 1644420332 MTPFGSTWWZDNGR-KRWDZBQOSA-N 404.430 1.636 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1644462399 NOQNYZHZRFZIIM-OAHLLOKOSA-N 408.296 1.963 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)N2 1645514278 RJUGZOTUUHDJRE-IBGZPJMESA-N 407.426 1.988 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@H](CNC(=O)NC)C2)s1 1645615668 FPEIDDNDUPROMI-GFCCVEGCSA-N 418.972 1.995 30 10 HDEE Cc1ccc(C(=O)N2C[C@]34CCCC[C@@]3(CN(C)C4)C2)cc1S(=O)(=O)NCC#N 1648193234 SVNTYJXRZXLIHA-NHCUHLMSSA-N 416.547 1.745 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC=CCC1 1648790767 UEPKFEHOVJIWIK-HXUWFJFHSA-N 400.435 1.272 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CC1 1653579098 BKDUZPVTAIKSGH-UHFFFAOYSA-N 415.512 1.592 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)c1 1655680482 HEPZVRPNCFDEAM-UHFFFAOYSA-N 404.536 1.455 30 10 HDEE COc1cc(OC)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1Cl 1655770408 DAUMWKVTZMYRIQ-APPDUMDISA-N 413.883 1.166 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(NC(=O)CC(C)C)cc2)c(=O)n1CCO 1656828085 HZJHOKGWAKUAEC-UHFFFAOYSA-N 412.446 1.050 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 1659155311 PPRLSACTFFGXDE-WKILWMFISA-N 405.524 1.477 30 10 HDEE CC(=O)c1cn(C2CN(S(=O)(=O)c3cccc(Br)c3C#N)C2)nn1 1666048411 KKPKNHPPQVHDBI-UHFFFAOYSA-N 410.253 1.360 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(OC(F)F)c2)CC1 1669328345 YOLRSZDMXUJLKE-UHFFFAOYSA-N 402.423 1.214 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1671301001 JUMIYDJHSOTSDY-CYBMUJFWSA-N 420.432 1.613 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)Oc2ccc(C(C)C)cc2)CC1 1682216163 FTPDMMXLRGCCTM-QGZVFWFLSA-N 422.551 1.372 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685670399 ZRFKLVCGVRYCFW-IDYZSHNDSA-N 418.515 1.730 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(c4snc(C)c4C#N)CC3)[C@@H]2C1 1687747091 DVJIPPYGHZIVOW-CTASWTNQSA-N 403.508 1.743 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)O)c1 1689870641 VGQVISQITIDEPV-INIZCTEOSA-N 410.478 1.056 30 10 HDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1689935500 IBTBCXHNEMLTDG-KRWDZBQOSA-N 410.526 1.956 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(F)cc1 1689965954 HPYWBURFOYWQBG-CABCVRRESA-N 406.483 1.856 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689988835 XFXLBPIFSFUONJ-MSOLQXFVSA-N 419.595 1.903 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1690073741 FFMNQOMVRSILDP-AWEZNQCLSA-N 400.449 1.963 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnc(C)s1 1690107973 KFEOJMWUIABOLL-RDJZCZTQSA-N 405.524 1.901 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O 1690268415 JZBAELBEAXBBQY-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690458209 ACHNBCPFYTYDAB-INIZCTEOSA-N 407.544 1.553 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 1690484627 AJNBDDMSGLRWHT-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690506590 STXOTJOMPLJTFU-INIZCTEOSA-N 420.539 1.403 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCn1cc([C@@H]2CCOC2)cn1)C1CC1 1690536007 NCQDTSWTZDDTEN-MRXNPFEDSA-N 413.526 1.972 30 10 HDEE Cc1noc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)n1 1693538520 CFQCXHFFNCXWQX-SFHVURJKSA-N 402.434 1.280 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705528161 WMCAXYIHKGPIOS-UHFFFAOYSA-N 412.494 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1c(C)noc1C 1705572527 FLSOPNWKAOBOQP-UHFFFAOYSA-N 403.446 1.846 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1705613192 XAZWNRNFBGPALK-OAHLLOKOSA-N 416.507 1.179 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC(F)(F)C1 1705621783 NXJGTRKKWFTQBL-LBPRGKRZSA-N 405.471 1.020 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCNC(=O)C2CCC2)CC1 1705644634 XWNWKULKNQVNII-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](OC)C(C)C)CC1 1705650627 WCMXATQQYHMLQY-FQEVSTJZSA-N 424.549 1.901 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705830485 QUMIBIRBHPYJII-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1)C1CC1 1705853189 SBRLLXVCARNJPM-IEBWSBKVSA-N 415.586 1.658 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)C1 1705914562 OUYHDZUELHRWDF-ZWKOTPCHSA-N 404.559 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)C1 1705922326 KRRBIVATCPGCEF-SJORKVTESA-N 416.526 1.459 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1705925449 PMENTMQFHOPNHC-KSZLIROESA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705932468 UQKHMIBJLWAJAU-DLBZAZTESA-N 419.551 1.747 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1706072514 DIGWEIJBPNJVRV-AWEZNQCLSA-N 416.482 1.533 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1706971697 XFJAKCUHUPTBOS-YWZLYKJASA-N 416.457 1.946 30 10 HDEE CO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1711529167 DRKBIDFKPYPLQE-WBMJQRKESA-N 418.395 1.923 30 10 HDEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1711566189 CVKMKAYANPWDOD-SJORKVTESA-N 407.540 1.735 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1712577703 DJIPYANHJYCYEB-VQIMIIECSA-N 423.489 1.784 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OCC)c1 1722278578 RCAWBUPLZSNCCN-HOTGVXAUSA-N 419.551 1.988 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1722282018 BQWFCYWTYMGYCZ-AWEZNQCLSA-N 403.446 1.531 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1722382036 DKONXLGYPVDCQT-FQEVSTJZSA-N 420.517 1.525 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1 1722428100 CELSMNRIARRIRZ-KRWDZBQOSA-N 420.510 1.648 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1722517770 NOMAJGIXNWQPNG-ZNMIVQPWSA-N 401.508 1.544 30 10 HDEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722648627 VOCHWFUIKYEQHW-FQEVSTJZSA-N 418.519 1.658 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC(C)C)CC1 1722686029 QPNFNEOKFBFHEL-UHFFFAOYSA-N 418.492 1.980 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C)cc1C 1724390181 AMKXWSHEJLWWHB-SJLPKXTDSA-N 411.510 1.826 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1727870319 UMODNPHZTQTBAZ-SHCNBLLESA-N 410.478 1.646 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1730671961 BGFAPNNXKYIKNX-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740550413 PZTBMYFEAVZYCO-CYBMUJFWSA-N 407.478 1.824 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740591311 NVHWDJQDBPESCU-KRWDZBQOSA-N 422.537 1.532 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCCn1cc(CO)nn1 1740614042 CUXMFNPUZLYRAW-UHFFFAOYSA-N 415.885 1.754 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1740661851 KVGXBLVTGDRNDP-OAHLLOKOSA-N 416.551 1.670 30 10 HDEE C=CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740872238 CWHKMIPJKSIGSE-UHFFFAOYSA-N 424.549 1.892 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F)C1CC1 1740910791 SSNAUXYQTSJLMW-LBPRGKRZSA-N 412.466 1.975 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCN2CCCO)C1 1740975369 BKNYSFMUCWMSQV-OALUTQOASA-N 414.554 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H](COCC)C1 1740989449 NDHKYIVMMVMPDO-MRXNPFEDSA-N 407.540 1.747 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(C#N)CC1)S(C)(=O)=O 1746312198 OECBIOTZLCZHKH-MRXNPFEDSA-N 424.571 1.931 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1748107865 YDRGVZBPOFNTHK-QVKFZJNVSA-N 412.494 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)CC 1748665547 SLETVLBMLPVCIZ-IFXJQAMLSA-N 404.540 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@](C)=O)cc1 1748824696 IABGGJVQKVLBBU-LJAQVGFWSA-N 411.531 1.416 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC=CCO1 1748835848 KHNGNGMSJUVFON-LJQANCHMSA-N 400.446 1.339 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1748934881 IIMJPIIBSNNEIN-UHFFFAOYSA-N 421.427 1.912 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749021818 AWRBCXHTKNNVSS-XOBRGWDASA-N 418.567 1.973 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1749039703 ZHNMTPLRQIOKFY-KRWDZBQOSA-N 405.568 1.843 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1749129950 ISUKNWYICDKFFY-QZWWFDLISA-N 410.540 1.387 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749193740 OBMZHOKLSULINW-IRXDYDNUSA-N 419.555 1.806 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1749268508 BWWDMRYNPPSJHR-GJZGRUSLSA-N 417.963 1.846 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749292306 PRHMEEAUQQZYKI-FXAWDEMLSA-N 424.567 1.910 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749456599 ISDYPBMSPQZLSD-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1749744400 JNOLUXUALZZOFP-UONOGXRCSA-N 403.574 1.423 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCSCC1 1749952897 GGMSETGOSPLWEL-CRAIPNDOSA-N 412.535 1.493 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C)no1 1750031520 WQIJEZPMXQWIDT-NVXWUHKLSA-N 415.498 1.523 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCS(=O)(=O)c1ccccc1 1760177817 OWLKSIWCUQREDX-UHFFFAOYSA-N 415.519 1.334 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCCN2CC)CC1 1760256460 HGACTYPMUDLLKD-PMACEKPBSA-N 418.586 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760268752 XLXGERMXAZPFCE-MJGOQNOKSA-N 424.549 1.801 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760322625 VLRHYIIIJBFCPA-NUJGCVRESA-N 405.543 1.799 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1760464656 MDAZBOUODBNHDP-DLBZAZTESA-N 411.572 1.159 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1760493473 FSKGGWOQZQKVTJ-SJLPKXTDSA-N 410.526 1.810 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760519209 WGFDYCIIXNKOFF-KRWDZBQOSA-N 414.510 1.450 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760522684 APVRCFJRTIPEEJ-HNNXBMFYSA-N 421.505 1.406 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](COC(C)C)C1 1760525675 NBMCEWMFXXUQNT-QGZVFWFLSA-N 419.551 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)N(C)C)C1 1760534349 WLLYBVSVHKKEJM-INIZCTEOSA-N 404.515 1.164 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CCOCC2)C1 1760541725 GQTRQIMDHHKSOF-HZPDHXFCSA-N 421.567 1.923 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC2(S(C)(=O)=O)CC2)C1 1760546863 XWNNWQABZUNICZ-KRWDZBQOSA-N 417.535 1.622 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1761226377 DUCVDLHVRNPAKY-ICFOKQHNSA-N 415.498 1.322 30 10 HDEE CCc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1\N=CC=CC1=O 1762877101 PTBRASXUJUETIX-WUKNDPDISA-N 418.889 1.390 30 10 HDEE CCc1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762970901 BAAGJBBZSDUAJT-CVTQAYBASA-N 424.509 1.169 30 10 HDEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@](F)(C#N)C1 1768453787 TWAOGJSBLKOZDX-INIZCTEOSA-N 424.278 1.576 30 10 HDEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770755089 SJIXKNGDFLABNY-KRWDZBQOSA-N 422.493 1.382 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1771262881 IOLHRHIWTXHAJV-QGZVFWFLSA-N 422.493 1.483 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)CC2)CC1 1849688900 CLUIRMPTLCRFOD-IBGZPJMESA-N 412.490 1.864 30 10 HDEE N#C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1849709420 VJBUKMRHLIAEJK-SMDDNHRTSA-N 415.393 1.757 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@H]2CCC(=O)N2c2ccccn2)CC1 1850177218 HYGJYVIPEAFANR-GOSISDBHSA-N 404.474 1.876 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2)C1 1850310464 XGQAGMKEPQQIEW-GOSISDBHSA-N 421.563 1.557 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)Cn1ncn(-c3ccc(Br)cc3)c1=O)CC2 1851143949 YLDDIRPDUBFUCV-ZDUSSCGKSA-N 416.279 1.949 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N[C@H]2CCCN(c3nccn(C)c3=O)C2)n1 1851244645 NGMWDUYFHBBMQL-LBPRGKRZSA-N 420.395 1.773 30 10 HDEE CCOC(=O)N1CCCC[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851772156 HENFTUQONLKPGM-SFHVURJKSA-N 415.494 1.629 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccc(C#N)nc4)CC3)nn2)cc1 1851950106 RNWOIIAHJKKDAB-UHFFFAOYSA-N 415.457 1.877 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 1851993351 UJVHYCSCYHWIMO-CQSZACIVSA-N 404.414 1.283 30 10 HDEE CC(C)N(CC#CCNC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C 1852755950 WACIQAQNKXVWPM-UHFFFAOYSA-N 405.564 1.773 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2CCOC2)c2ccccc21 1854056376 SLOUOAIMZPOSHI-OAHLLOKOSA-N 411.439 1.663 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1 1854598827 BZGMECHZQPJXHE-UHFFFAOYSA-N 405.520 1.334 30 10 HDEE COc1ccc(SCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855073518 BOAZAIFEQGOEKY-MRXNPFEDSA-N 402.520 1.446 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(c4ccnnc4)CC3)CCC2=O)c1 1855225409 INYKFIGCQPCJCY-SFHVURJKSA-N 404.474 1.549 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855516500 VECPXKCIEZYGGQ-MOPGFXCFSA-N 400.523 1.778 30 10 HDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c1C 1856058698 OPAOJZDGABWLOV-OAHLLOKOSA-N 407.492 1.374 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccc(C)cc3)C2)CC1=O 1856802772 DYXNCPIIJOIRHY-SJORKVTESA-N 408.476 1.018 30 10 HDEE CN1CC2(CCN(C[C@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)CC1=O 1857231150 RIPBPYGZWGNWPR-MRXNPFEDSA-N 409.490 1.276 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)[C@H]1CCCN1Cc1ccccc1F 1866913906 RBJIALOVLYZZBS-VQTJNVASSA-N 410.449 1.778 30 10 HDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccccc2F)CC1 1870567688 DXILNGRMSMUMBV-UHFFFAOYSA-N 414.481 1.620 30 10 HDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(C(=O)OCC)CC2)nc1C 1872797182 BZCKGIUXEGTBNE-ZDUSSCGKSA-N 408.480 1.579 30 10 HDEE Cn1ncc(C(=O)ON2C(=O)c3ccccc3C2=O)c1CNC(=O)OC(C)(C)C 1880980786 XFAADFSMWBHRRQ-UHFFFAOYSA-N 400.391 1.813 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1889578002 VAVWPOZDFWIZHH-UHFFFAOYSA-N 423.554 1.636 30 10 HDEE CCn1nnc2c(N3CCN(C(=O)c4ccc(C5(C#N)CC5)cc4)CC3)ncnc21 1890713869 XMDLVAGKVAZNTL-UHFFFAOYSA-N 402.462 1.759 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC2CN(c3ncnc4ccsc34)C2)cs1 1891152055 GJDCBELIQZWERM-UHFFFAOYSA-N 400.489 1.682 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046026890 VXSXSWWUBWQWIO-LPMFXHHGSA-N 410.467 1.640 30 10 HDEE C#CCOCCOc1c(Br)cc(S(N)(=O)=O)cc1Br 2094358071 CYGADAMFJFYWNY-UHFFFAOYSA-N 413.087 1.888 30 10 HDEE C#CC[C@](C)(CO)CNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2140708861 KUWPHZATRQZDQT-COPCDDAFSA-N 402.491 1.941 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N)C(=O)OC(C)(C)C 2162923691 ZMYMNMQYVRVNBQ-AREMUKBSSA-N 416.525 1.794 30 10 HDEE CN([C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174785433 YXYYDLPXDOQFSN-RYUDHWBXSA-N 414.450 1.854 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N=c1nc(CCNC(=O)OC(C)(C)C)[nH]s1 2229908760 JZBFVALGQJTIPJ-LLVKDONJSA-N 403.530 1.565 30 10 HDEE Cn1ncc(NC(=O)C#CCNC(=O)OC(C)(C)C)c1I 2241353695 LGJIHULRFCIAFZ-UHFFFAOYSA-N 404.208 1.491 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243385136 DBSBYJVOOTVZGH-GFCCVEGCSA-N 408.308 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H](C(=O)O)C1 2243393232 OQHNJUAJCCFSNQ-CYBMUJFWSA-N 408.260 1.154 30 10 HDEE CC1(C)OB(c2cncc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)c2)OC1(C)C 2255876318 BROIFDYMXJIFDK-UHFFFAOYSA-N 423.322 1.358 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161118 YDJDDOOVUCBDNW-SJORKVTESA-N 408.476 1.272 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2267356078 OVTFWIQVPBIJKC-SECBINFHSA-N 408.738 1.243 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC3CNC3)c(Cl)c2)OC1(C)C 2267464977 SQWFCERTCGQPOP-UHFFFAOYSA-N 407.128 1.543 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716997 WCLXGJSBKGPYDY-DEOSSOPVSA-N 408.376 1.053 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C2(CC2)C1 2272892257 KRAGRRGVZNSXQO-JKSUJKDBSA-N 421.475 1.464 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](CO)[C@@H](CO)C3)sc2Cl)OC1(C)C 2281975665 QDIBYFSEJRVSPS-PHIMTYICSA-N 401.721 1.374 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3[C@H]4CNC[C@H]34)cc2Cl)OC1(C)C 2282308266 PCAFJJBAIWDIHH-UWVGGRQHSA-N 418.777 1.444 30 10 HDEE CCC[C@@H]1CNCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337708 JCVDTVLUQVWTMS-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](N)CC(F)(F)C3)s2)OC1(C)C 2282417986 LIYUVYGBCBEQJT-JTQLQIEISA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CCCN2)OC1(C)C 2282488643 DCAVZIXNLVIGQZ-GFCCVEGCSA-N 400.737 1.670 30 10 HDEE CCN(C[C@H](C)N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282494796 CNZJIQDRPLTPNW-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@H]2CN)OC1(C)C 2282496041 VGUGXKCIXGHYHW-NWDGAFQWSA-N 400.737 1.512 30 10 HDEE CCS(=O)(=O)CCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497601 RZBOCPBJTCAXKO-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCS(=O)(=O)C(C)C 2282651781 FYGUPSQMVUOBKI-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE C[C@@H]1CCS[C@@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854907 XHOAGBDZHXCLRT-DGCLKSJQSA-N 401.363 1.139 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)C 2282864507 HAPXCSYDWAMHHY-CYBMUJFWSA-N 403.331 1.523 30 10 HDEE C[C@H]1C[C@@H](O)[C@H](C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866152 FDCZNPMBMRTTJL-MBNYWOFBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](N)CC(F)(F)F)OC1(C)C 2282870114 NAAAOTKUSCSDLJ-SECBINFHSA-N 414.280 1.605 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@](F)(CO)C2)OC1(C)C 2282870251 PFHQXNZZKNXXKK-INIZCTEOSA-N 405.322 1.532 30 10 HDEE COC[C@@H]1C[C@@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884450 ODFVBHHAKBWGCE-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284396580 WXQQNSGONRUEIW-NSHDSACASA-N 403.331 1.825 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2300199381 XEWKUXPLLJRCIY-HNNXBMFYSA-N 420.315 1.906 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCO[C@H](P(C)(C)=O)C2)OC1(C)C 2362575986 BLGJSGRDBAVHIF-GFCCVEGCSA-N 400.246 1.864 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363528349 ROOOLLKMGMPZNG-LSDHHAIUSA-N 413.565 1.897 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCC[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365204502 YPTSNDOWJIEECL-OAHLLOKOSA-N 406.545 1.088 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211766 NIOOWNMXOPDOSH-QCUYGVNKSA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]2CCC[C@@H]21 2365212712 SWRRTHGWCAMPNH-NXEZDXNNSA-N 400.541 1.291 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CNC(=O)OC(C)(C)C)C(C)C 2365214111 ZSRNDQWCRVFGEA-BEFAXECRSA-N 404.573 1.703 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240262 CVXDDKVGZDBDQY-UGSOOPFHSA-N 403.497 1.540 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2367786394 HSZMHGSPGQDOPT-JYJNAYRXSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 2367792528 PIJJVBPADWTQQN-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 2367796419 ILMWSJLPSXBGSN-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2372721395 DZCLODVHEWJLME-SUNYJGFJSA-N 402.513 1.514 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2375784291 IMWZZLLOEWVNJW-PMUMKWKESA-N 402.513 1.514 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)Cn1ncc(Br)c(Br)c1=O 23558104 IXGOLAINGTVWJK-LBPRGKRZSA-N 406.078 1.823 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(OC)c(O)c(OC)c2)c1 63585991 RVWSXPBEERDVRB-UHFFFAOYSA-N 406.460 1.804 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@@H]1c1ccc2c(c1)OCCO2 72472634 FZAZLRQJFFAXBT-XJKSGUPXSA-N 419.397 1.970 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C1CCN(c2ccc(-n3cncn3)nn2)CC1 96395752 QMGOMYZUIFEVCM-UHFFFAOYSA-N 419.405 1.692 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2nnc(-c3ccccc3)n2)cc1 109943329 TZSNVIZTUZZXKE-KRWDZBQOSA-N 419.470 1.752 30 10 HDEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)ccc1O 253566710 JGUMVFWHMAPPRX-YBFXNURJSA-N 419.511 1.221 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CCO1 410149597 WTCBSRQJJJJMAN-HUUCEWRRSA-N 405.398 1.548 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430350769 HYBKFDGODGAVKY-UHFFFAOYSA-N 422.507 1.473 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 430417907 XTMZYLOOJVOIHF-TZIWHRDSSA-N 413.518 1.306 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 434315902 KKKJMNUCMYUYEE-GDBMZVCRSA-N 404.410 1.635 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CC[C@H](O)CC1 440021045 KDUUVAVJSPYGAZ-IYARVYRRSA-N 405.520 1.721 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)NCC(F)(F)F)CC2)c(Cl)c1 444194401 SLJYOOMLDDKYCC-UHFFFAOYSA-N 403.792 1.722 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)cc1OC 463529705 ZETPWXDIPKXXSL-UHFFFAOYSA-N 407.473 1.226 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)[C@@H]2CCCOC2)n(C)c1=O 478849180 QOEFNZQZPUGJLU-CQSZACIVSA-N 413.455 1.162 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)cc1C#N 489605743 MHIFRVPLWFNSJV-UHFFFAOYSA-N 404.879 1.948 30 10 HDEE Cc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)cn1 504401017 IVUOMQOODRRHQD-UHFFFAOYSA-N 402.479 1.517 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 505742010 NARBUYTUFOHJMD-OAQYLSRUSA-N 406.527 1.405 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ncn(-c3ccccc3)n2)CC1 506822645 PQGZGALTTAKMGO-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(OC)cc2Cl)CC1 506969033 LPMFNDLLXDXOGK-UHFFFAOYSA-N 407.898 1.758 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C2(CCC2)C1 508496574 ZSZNAAOSPZOVOC-JKSUJKDBSA-N 409.556 1.814 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 509681441 OXZOICZWTFIVPO-UHFFFAOYSA-N 402.451 1.568 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 532921366 BQZCXNYFEXPTGO-DKTYTTGXSA-N 417.554 1.072 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1S(C)(=O)=O 535446406 MXPSGTJAQILZPM-CQSZACIVSA-N 414.491 1.803 30 10 HDEE N#Cc1cccc(CC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 540794058 KOVZDPNXYIEYEP-UHFFFAOYSA-N 413.455 1.061 30 10 HDEE Cc1nc2nc(N)nn2c(C)c1CC(=O)N=c1ccn(-c2ccc(Cl)cc2C#N)[nH]1 541162878 FWTQRLIXGFCLGC-UHFFFAOYSA-N 421.852 1.637 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C2CCOCC2)CC1 554560968 RMZRNXNKDPTEKO-HNNXBMFYSA-N 405.520 1.890 30 10 HDEE C[C@H]1COCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 561920570 ORBSYFLSYLULDD-RDJZCZTQSA-N 406.508 1.247 30 10 HDEE Cc1cc(CS(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)no1 581598374 DXUJUHKPJHBCGS-UHFFFAOYSA-N 400.464 1.675 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)nc1 585354429 UBBGKLSTSACHEM-LRYGQEGESA-N 412.490 1.787 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 603957408 AVILNPOLAQMCNV-OAHLLOKOSA-N 424.954 1.919 30 10 HDEE COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 608977922 WZVSDKXVQUSTFM-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)ccn2)CC1 609568562 MEQUEFBUMXFWHA-NRFANRHFSA-N 422.508 1.995 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)c2ccc(C#N)cc2F)cc1 610227227 FOBXEEQYIAGZHM-UHFFFAOYSA-N 403.435 1.836 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 669815641 XICSNZWVYQRDCY-OAHLLOKOSA-N 416.530 1.992 30 10 HDEE C=CCOCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 679516098 SLSWWCNJYHRDSJ-OAHLLOKOSA-N 418.519 1.909 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C 727415387 NGOUBXDLTVOXDH-UHFFFAOYSA-N 423.494 1.456 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](c2ccccc2)N2CCOC2=O)CC1 728267171 XZKNEZOHCPULMB-GOSISDBHSA-N 400.479 1.016 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1C[C@@H]1CCCO1 732561268 JPVFUZNBNWPFKV-ZBFHGGJFSA-N 414.531 1.423 30 10 HDEE COc1cc2c(cc1OC)CN(S(=O)(=O)NC(=O)c1ccc(C#N)nc1)CC2 734712583 XFNOZCHZAAGQMF-UHFFFAOYSA-N 402.432 1.003 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 735500964 RFHPLASEWYUFKF-KRWDZBQOSA-N 404.492 1.009 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 738904567 HYJFOGIWACLHIW-HGNXGAGXSA-N 422.507 1.916 30 10 HDEE C#CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@H]1CCS(=O)(=O)C1 744397154 BYAPSOUZRQZPTC-INIZCTEOSA-N 404.488 1.789 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(-c3ccccc3)c2)c1=O 758076373 UCRCKFWBVIWYDI-UHFFFAOYSA-N 414.490 1.601 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 758759722 BRLLCUNRLHESED-FRRDWIJNSA-N 408.459 1.677 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)c1 763466085 PDCWRCGLLAUETJ-KRWDZBQOSA-N 411.527 1.690 30 10 HDEE C[C@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O 767537440 VXPOSMIFJGJMMZ-LJQANCHMSA-N 416.434 1.834 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1ccccc1F 767638487 SVHUVMNWSNYNBG-LBPRGKRZSA-N 405.407 1.546 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)ccc1Br 771935799 YBDICYHZYBWMQF-NSHDSACASA-N 410.286 1.399 30 10 HDEE Cc1ccccc1[C@@H](CC(=O)O)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 776673424 POEGVYUIWNIQAI-OAHLLOKOSA-N 401.444 1.366 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2CN2C(=O)CNC2=O)n1 788533869 NAUKAMDIXFNSQQ-UHFFFAOYSA-N 424.461 1.249 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)n1 788811576 ZGUIEHNJTFPOIE-INIZCTEOSA-N 421.494 1.740 30 10 HDEE C#CCNC(=S)/C(=C(/O)c1cccc(S(C)(=O)=O)c1)n1ccc(=[N+](C)C)cc1 789404743 OITXXKBUWUSWTQ-UHFFFAOYSA-O 416.548 1.357 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC([C@H]2CCOC2)C1 792611968 DHJGUSWNQPDKLU-YOEHRIQHSA-N 405.520 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)[C@H](C#N)C1 796487381 TYTWGZNCGMTUEQ-HUUCEWRRSA-N 405.451 1.600 30 10 HDEE C=CCN1CC[C@@H](N(C)CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)C1=O 799141801 BZCHQBYTXJKOAJ-RDTXWAMCSA-N 410.396 1.672 30 10 HDEE C=CC[C@@]1(C(=O)N(CCO)CCN2CCOCC2)CCCN1C(=O)OC(C)(C)C 801174508 UHTPJBXCQVNECY-NRFANRHFSA-N 411.543 1.485 30 10 HDEE COCC1(C(=O)N2CCN(C(=O)CC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 807922097 JTHQNWVQYDLHQF-UHFFFAOYSA-N 408.499 1.235 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812309561 CEMYMBVIIPZHSI-SJORKVTESA-N 415.519 1.454 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1126400820 DFHPEYSILWENCC-GJZGRUSLSA-N 404.471 1.229 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1132311920 XVLPTIVKFOBTSE-AOMKIAJQSA-N 409.490 1.708 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)nn1 1140383674 GEHFLWDNDLPDJT-HNNXBMFYSA-N 405.480 1.252 30 10 HDEE CC(C)(C)S(=O)(=O)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1146297219 DCYJBNWPAIPOAX-UHFFFAOYSA-N 415.519 1.810 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NC(C)(C)C)ccc2Br)C1 1158397680 HVXNZNRRFNOAEB-UHFFFAOYSA-N 415.309 1.346 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1160815734 FYAWZPKIFFMSMP-QZTJIDSGSA-N 415.852 1.873 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)c1 1161458984 UJGVEYSCXPSZFI-GOSISDBHSA-N 421.515 1.629 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)s1 1162248073 FFTBEWKUIWCFIM-APHBMKBZSA-N 409.533 1.346 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1163462069 NPULPKUMDNMWRZ-ROUUACIJSA-N 421.519 1.319 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](c4cc(O)nc(O)n4)C3)n[nH]2)c1C 1164330807 RYJGZJFZTBXBHE-ZDUSSCGKSA-N 409.450 1.907 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1164672511 LJQVPTOIVPFEPZ-LBPRGKRZSA-N 408.398 1.144 30 10 HDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccnn1C 1174678816 SXEDYXOGYPVXPX-CQSZACIVSA-N 403.508 1.896 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)c1 1175908913 ZQHUGYXXUIVOGY-HUUCEWRRSA-N 411.380 1.989 30 10 HDEE CS[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@@H]1N(C)C 1188327598 FTGIZHYSSREGLM-KBPBESRZSA-N 404.355 1.987 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)c2)NC(=O)NC1=O 1251606014 NETKHGNIMBJZQE-GOSISDBHSA-N 402.407 1.230 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1286274247 NAIZLVYHYOZUKG-OBJOEFQTSA-N 408.528 1.755 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2cnnn2C)c1 1286310671 XMCJNSDFWATKQZ-UHFFFAOYSA-N 415.461 1.506 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1286360196 DHKODRGAHGIWNN-CQSZACIVSA-N 418.523 1.190 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286389058 XXSNDVBKNOAIHS-WIYYLYMNSA-N 416.547 1.979 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCc1cc(OC)ccc1OC 1286407526 LCUOLNAFVXBDMV-LJQANCHMSA-N 421.501 1.952 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(N2CCOCC2)CC1 1286409868 UKEOLHCJBZSLTF-UHFFFAOYSA-N 407.493 1.946 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCOC 1286441161 RVVZOWOEFCVOAG-HXUWFJFHSA-N 410.482 1.168 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286600896 FFEHIUUQRIPGPO-KRWDZBQOSA-N 415.542 1.812 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286711146 KVCYRELAUXHYSR-KRWDZBQOSA-N 414.514 1.312 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1289394725 FVXBVBZPQOVEBB-LSDHHAIUSA-N 407.521 1.327 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 1293033127 SZSIUZVKHGJKCB-OSCRUYLVSA-N 402.882 1.947 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1297835174 BRMMXYVUQHHGAE-XKQJLSEDSA-N 407.492 1.463 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 1298310509 UGRPTPWHMWWNGX-IHRRRGAJSA-N 424.523 1.643 30 10 HDEE CN1CC[C@@](O)(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1 1298885453 JOCMFFCIDYBWSI-QFIPXVFZSA-N 424.553 1.235 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1300408884 CVEBQMQDPJGJFW-MRXNPFEDSA-N 407.540 1.041 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1300432389 VIESGVMFTJULDI-WIYYLYMNSA-N 403.527 1.647 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1300482857 HQEQBTMMOAIDJF-FUHWJXTLSA-N 402.520 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1 1300506605 WDVRYPSHDGABRQ-GOSISDBHSA-N 412.538 1.528 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1300603092 WYYGMBYIHFLOGR-JKSUJKDBSA-N 419.555 1.430 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1300665199 YLXVDDDEANSNRQ-GOSISDBHSA-N 424.505 1.065 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1301021749 ZJEHWWKTESMFHC-IOHWQQQBSA-N 421.494 1.564 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1301502930 SVJKRKLZQDDZAX-CQSZACIVSA-N 414.514 1.286 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2)C1 1301543681 OOEFPQWICBYORZ-PXNSSMCTSA-N 402.499 1.493 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1301935713 XNLHHGDDGIGMSQ-UHFFFAOYSA-N 409.450 1.879 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)CCO1 1303970852 BRIQURJDBAZTBW-UHFFFAOYSA-N 422.493 1.606 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)c1 1304193196 OZXLWBZYLNFTAS-UHFFFAOYSA-N 416.503 1.831 30 10 HDEE Cn1nccc1[C@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1307895881 CASJLXLBJJHKNO-KRWDZBQOSA-N 404.492 1.738 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1C(N)=O 1309677792 BBTSTHXCIDDCMT-UHFFFAOYSA-N 406.489 1.238 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1312625755 KJKCMXJOAAWYPP-QWHCGFSZSA-N 420.338 1.517 30 10 HDEE COC1(c2noc(CC3CCN(C(=O)NCC(=O)NCC#N)CC3)n2)CCCC1 1312661192 MNBCHXXOIVZQEJ-UHFFFAOYSA-N 404.471 1.089 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 1313220164 TYXPRESOFANRFN-OAHLLOKOSA-N 421.523 1.366 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358888530 NYSSHFRTYSNJEJ-MJGOQNOKSA-N 410.522 1.910 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1358889495 CKKWYYITSGWCLZ-WBVHZDCISA-N 409.556 1.649 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1358926655 WSWSJMQSEWGPGW-UHFFFAOYSA-N 404.540 1.985 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCCC1 1358968718 WEVRCIBABKZTFJ-UHFFFAOYSA-N 405.462 1.044 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2COCCO2)CC1 1359047160 UDRLCMSTKFYOMU-LJQANCHMSA-N 415.538 1.392 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359123961 ZQEARRHOXXUKEH-QWHCGFSZSA-N 403.464 1.960 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOC1=O 1359238373 IXCLPPPPZZEFDD-UHFFFAOYSA-N 423.477 1.657 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1359292709 WFUNZLQZPADTDR-IBGZPJMESA-N 412.538 1.559 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1c(C)nn(C)c1C 1359302425 HIGLXGJKRVZDRL-UHFFFAOYSA-N 408.510 1.553 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1360471177 CNKDVUJDJFSDTO-STGLLQLASA-N 408.466 1.548 30 10 HDEE C#Cc1cccc(N(C)C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1435055772 NDJSYZZRVAAGOB-IIBYNOLFSA-N 418.515 1.912 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1454223609 VLHQBGYWVNDDKL-HZPDHXFCSA-N 421.457 1.827 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456061345 KSRSTDOMJIPSMH-ZWKOTPCHSA-N 419.551 1.950 30 10 HDEE C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NC[C@@H](O)CO)ccc1Cl 1456721350 NSKYQTHFQUZSAO-MRXNPFEDSA-N 424.906 1.804 30 10 HDEE C#Cc1cncc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1457413633 MJYZBWHNCDOEOB-SFHVURJKSA-N 412.490 1.747 30 10 HDEE COC(=O)c1scc(C)c1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460883261 PUQXSEIAOSWBBP-BWACUDIHSA-N 411.505 1.040 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1463511362 LMFBXFARNWCQCC-RUENVJTFSA-N 424.457 1.706 30 10 HDEE N#Cc1cn(CCC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)c(=O)nc1O 1464324907 COQOHBJKLHYSLX-UHFFFAOYSA-N 417.416 1.270 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)c1 1464468973 ZALKVLOWJYOYOD-HNNXBMFYSA-N 409.508 1.890 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccc(C(N)=O)cc1 1464526404 BNQWHNOHUFVZCV-UHFFFAOYSA-N 421.519 1.809 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1464973183 RYWZYMHPRXJJTN-MRXNPFEDSA-N 421.519 1.983 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCc1ccc(S(=O)(=O)N(CC)CC)s1 1468662845 UJCAWBCQJCIFID-CABCVRRESA-N 401.554 1.964 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1471109398 NRJXFYKCTLGNJA-ZJOUEHCJSA-N 416.547 1.621 30 10 HDEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1472371533 SRLBHIDXCJKNPG-UHFFFAOYSA-N 411.418 1.865 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCc3nccc(Br)c3C2)nc1 1473578263 SOSSSKZUUWDLQB-UHFFFAOYSA-N 407.293 1.943 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CC(=O)N(C2CCN(S(=O)(=O)c3ccc(C#N)o3)CC2)C1 1475464960 GEKVAVRODRPTDZ-ZDUSSCGKSA-N 423.491 1.495 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)cc(C(N)=O)c2)CC1 1475618605 XJXABYFPWXXRRV-UHFFFAOYSA-N 401.282 1.087 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCn2ccc(C(F)(F)F)n2)C1 1478402545 BQOPGTVXFZPCEZ-RYUDHWBXSA-N 416.404 1.960 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC(C)(C)C(=O)N2CCCC2)C1 1478404365 RHOFQEMFCXFSNE-GJZGRUSLSA-N 407.515 1.693 30 10 HDEE COC(=O)c1oc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 1478567796 LSVQLLWJZQFQBS-QGZVFWFLSA-N 410.430 1.847 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504899319 DKNPFIYQUMNXFW-JXXFODFXSA-N 420.489 1.457 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1507638455 FRAOYPDNEMZGFH-KRWDZBQOSA-N 402.524 1.176 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1507652317 GYEBCERJESYQNL-HXUWFJFHSA-N 413.485 1.595 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507709930 FMYVCSAMRKATSR-ROUUACIJSA-N 415.542 1.264 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCOc2ncccc2F)CC1 1507738758 XRQHPIPEAOTOPT-UHFFFAOYSA-N 412.469 1.734 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OCC)CCOC1 1507835363 XPBGRTHRGIMNMF-CRAIPNDOSA-N 413.544 1.024 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507840927 RBPYVWLHIUPTSQ-GOSISDBHSA-N 410.478 1.361 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)NC(C)C)CC1 1507888099 CIOADINMDHKQCL-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](COC)C1 1508090539 JEMQAAXTPHLQDG-MAUKXSAKSA-N 413.478 1.566 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CC3)n2Cc2cccc(S(=O)(=O)NC)c2)C1 1508119640 WECZDAMKMBOBHJ-KRWDZBQOSA-N 417.535 1.893 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1509577558 NJJRCBJIQGYHPF-UHFFFAOYSA-N 413.482 1.088 30 10 HDEE CC(C)OCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1509848968 BVNXSTMVCZBJLI-JKSUJKDBSA-N 411.528 1.114 30 10 HDEE CN(Cc1ccccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1517148043 KKUPHZFTBCOSEA-UHFFFAOYSA-N 400.450 1.925 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1 1518057500 VMIBVSZJUMRTCX-GOSISDBHSA-N 417.466 1.090 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)CCO1 1521121039 GBDPMYUJDYTYLJ-INIZCTEOSA-N 410.482 1.140 30 10 HDEE Cn1ccc(N2CCC[C@@H](NC(=O)c3cccc(C#N)c3Br)C2=O)n1 1530906767 DKLOZNJPTUYKJT-CYBMUJFWSA-N 402.252 1.980 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CC[C@](C)(C#N)C2)o1 1533110925 YEBDSMWQVXJKAA-SCLBCKFNSA-N 409.464 1.372 30 10 HDEE N#CC1(CC(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)CCOCC1 1538192008 YZWUGFAHKYETBU-UHFFFAOYSA-N 408.476 1.461 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1539212105 RLGTZHPVZMDLKA-QGZVFWFLSA-N 415.519 1.560 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1OC 1539273509 VIWLJWHMRUHPMK-UHFFFAOYSA-N 420.521 1.565 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](C)N1CCOCC1 1539285031 ZFUHAVMRKZUPSO-VAMGGRTRSA-N 413.566 1.990 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539446590 GUDRHWOORSOEKT-VQTJNVASSA-N 416.570 1.038 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539517544 PISXVBIVACCBMX-LPHOPBHVSA-N 424.592 1.554 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)[C@@H](C)CCC 1539555748 APXHIWOEPLDSIP-GCKMJXCFSA-N 400.527 1.774 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1540661197 QFVGIGRZYFJXHV-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1540871849 VLQWCARWJTUONS-QGZVFWFLSA-N 404.559 1.327 30 10 HDEE CCCOc1ccc([C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1544133829 GJTFNDHDYGTTHK-CYBMUJFWSA-N 400.435 1.885 30 10 HDEE C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)NC(N)=O 1544855395 QPBGOYAUEFKJLJ-UAHGDZPKSA-N 409.512 1.665 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)COCCO1 1555630395 ZJDNTAJCOADFAE-OXQOHEQNSA-N 407.515 1.938 30 10 HDEE C=CC1(CC(=O)N2CCC(CNS(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1556563535 QLSOGXBPOJUQDN-UHFFFAOYSA-N 415.556 1.587 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 1561411749 NCWCBOLRGLPJOU-LLVKDONJSA-N 417.285 1.466 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CC2)CNC(=O)N3C)cc1 1562198192 FECDGHHCZNZUDO-UHFFFAOYSA-N 421.523 1.515 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H](Cc3ccccc3)c3ncco3)C[C@H]1CS(=O)(=O)C2 1564983115 IVZQGGCHDCCSOM-TXPKVOOTSA-N 400.460 1.538 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 1565815796 RTTAGUCWNDGSKD-ODLFYWEKSA-N 415.559 1.867 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1583038908 XOVAFVTZZQZYGH-CVEARBPZSA-N 413.540 1.999 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(OC)cc2Br)C1=O 1583784875 QMDMWOMIKNNIDD-JTQLQIEISA-N 424.251 1.612 30 10 HDEE Cn1ncc2c1CC(C)(C)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1586009667 IJIKQVOYASBXRA-UHFFFAOYSA-N 401.492 1.181 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](OC)C[C@@]3(C)C(=O)OC)ccc2c1=O 1587053273 AKJVOCFDCBOXCT-XCLFUZPHSA-N 417.487 1.664 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587883860 NMZJKWHZLJKJRJ-GOSISDBHSA-N 408.462 1.093 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCO[C@@H]1C 1587904266 CMXANKZEMMACNX-JLTOFOAXSA-N 417.897 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](CC)OC 1588099517 PEVBYIPBMSHTSA-KRWDZBQOSA-N 400.504 1.846 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1588144111 UDRNJRREEZOYEH-UHFFFAOYSA-N 423.427 1.373 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCc2nccn2C1 1588158529 FXRBUIUOCLIBAC-LJQANCHMSA-N 402.506 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1588218899 HLCPDRVMNSHTRK-UHFFFAOYSA-N 411.531 1.936 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CC=CCC2)CC1 1588968599 NHYCIZAMWZYTQE-LJQANCHMSA-N 412.538 1.357 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1 1589150507 GQMSQMFWHDVTKB-GDIGMMSISA-N 421.523 1.381 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnn(C)n1 1589687314 BBVDVLJRVSPMAV-UHFFFAOYSA-N 401.500 1.244 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)C(=O)C1 1594491973 PUWQEWACGJLVDV-OAHLLOKOSA-N 404.515 1.127 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@H](C)C2)C1 1595723531 XPMPAULSJIBGBI-RCCFBDPRSA-N 402.543 1.742 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCN(CC(=O)N(C)C)CC3)n[nH]2)c1C 1595759306 XQBJOTPJNOICST-UHFFFAOYSA-N 413.526 1.312 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccnc(-n3cncn3)c2)ccc1F 1596693739 MRNKBIZYICKFIQ-UHFFFAOYSA-N 416.438 1.196 30 10 HDEE COC(=O)[C@@H]1CC[C@@H]1NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1597088423 MIOHWSACBKZXBK-SNPRPXQTSA-N 407.492 1.208 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(F)(F)F 1611664293 BDVMIZXPQNVSTD-NSHDSACASA-N 416.429 1.959 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1615841840 GYYKBVYCZIPQJF-MSOLQXFVSA-N 412.542 1.038 30 10 HDEE Cn1cnc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)n1 1618450075 AABTXFRMVBDRSI-UHFFFAOYSA-N 406.454 1.232 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CC2(O)CC2)CCO1 1620354389 DAJKYSDAMUMTCH-AWEZNQCLSA-N 404.268 1.961 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1622372136 DHRFQFLJPVLPNU-GOSISDBHSA-N 406.504 1.435 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1)C1CCOCC1 1629889166 MJVHRJWOKYVCFF-QGZVFWFLSA-N 424.519 1.307 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1631262953 ZXMAZLCKVSXTJI-DLBZAZTESA-N 422.526 1.860 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3ccc(C(C)(C)C)cc3)c2S1(=O)=O 1632842058 HMNFNAWXOPMTNM-MRXNPFEDSA-N 401.492 1.809 30 10 HDEE C=CCC1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCCC1 1635347385 ZOAKQLRIFLDMLD-UHFFFAOYSA-N 405.520 1.673 30 10 HDEE COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CO 1636609203 IZJHZEMWAPIJBK-VFNWGFHPSA-N 423.469 1.931 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1cn(CCCC#N)c3ccccc13)C2 1637180552 JPOVIVAGQRKCJO-IBGZPJMESA-N 419.489 1.958 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(CC(=O)NCc3ccccc3)CC1)C2 1637885625 JBZVMDKOTFTDDM-QFIPXVFZSA-N 417.513 1.669 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(COCCO)cc1 1638547588 JPWWQPMRFXLHRS-CQSZACIVSA-N 403.460 1.373 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1 1639123029 RYEORDKYMPZHTG-VOJFVSQTSA-N 409.874 1.792 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](N4CCOC4=O)C3)ccc2c1=O 1639968205 BWOITVFAENYKHQ-ZDUSSCGKSA-N 400.460 1.538 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3CC(c4cccc(Cl)c4F)=NO3)C2)c(=O)nc1O 1640637445 ZLDTYCYFPHJWEG-CQSZACIVSA-N 417.784 1.190 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1641407190 ITFZJABNFVSCDX-MRXNPFEDSA-N 406.508 1.592 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H]3CC[C@H]2[C@@H](C(=O)OC)C3)s1 1642419478 AVMPXYRUPLPOQR-QEJZJMRPSA-N 412.533 1.555 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1643516861 UYTRCJOHZRPIFT-CYBMUJFWSA-N 409.464 1.416 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1CC#N 1643560308 AJJVPLSPEKGLOJ-UHFFFAOYSA-N 402.432 1.711 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N(C)Cc1nnc2c(=O)n(C)ccn12 1644470200 UMNUKIMUBBIEAD-AWEZNQCLSA-N 400.508 1.525 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1646202867 YRARKKUEYRJKMK-YUELXQCFSA-N 417.491 1.623 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1651135427 UWLRVBXPCFTQOU-UHFFFAOYSA-N 405.418 1.440 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 1654489893 VRGWGPIOQPMICR-FCNYCREVSA-N 418.538 1.520 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1Cn1c(C(F)(F)F)ccc(C#N)c1=O 1656831300 CTDQNGOEQDJFNR-UHFFFAOYSA-N 402.398 1.645 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)n1 1658505199 SERCLXKMQCJDTB-ZWKOTPCHSA-N 404.511 1.155 30 10 HDEE C#C[C@@](C)(CC)NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1658720069 FQOMJBSCHMWSFK-FQEVSTJZSA-N 407.536 1.662 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(=O)OC 1664365712 DVEYNECDTIOPJF-NSHDSACASA-N 422.228 1.218 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2nc3cc(Br)ccn3n2)CC1 1671499176 TYBDCJUUEPDREJ-UHFFFAOYSA-N 405.256 1.485 30 10 HDEE CCOc1ccc(C[C@@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1682979387 FLVGESFFRQJSLJ-CQSZACIVSA-N 411.462 1.664 30 10 HDEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)n1 1685656784 CUVXRVZTAPCNIL-HNNXBMFYSA-N 406.487 1.315 30 10 HDEE C=CCCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](C(F)(F)F)C1 1686320905 HFCHVJUTZVRODL-MRIZRFMCSA-N 402.413 1.508 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 1687755546 OPZLXUXPNYBJQP-UONOGXRCSA-N 417.470 1.119 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(C)(=O)=O 1690043313 XASPGNDYSGDPPS-UHFFFAOYSA-N 422.514 1.638 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(C)COCCO2)CC1 1690128377 CEMZQRPWLVANFZ-QFIPXVFZSA-N 413.497 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NCCC)CC1 1690139991 HNMNLBURDFVAPL-UHFFFAOYSA-N 408.506 1.437 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1690465377 YTTIADQUONZXHJ-MRXNPFEDSA-N 421.567 1.643 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690663912 ICHCKORZALCGFZ-LJQANCHMSA-N 400.439 1.180 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@H]1CCOC1 1690674042 MVFAFTWHGPBTKO-MRXNPFEDSA-N 409.494 1.292 30 10 HDEE CC(C)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1692808310 ZFECKYVPLIYXFW-XJKSGUPXSA-N 422.511 1.262 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCCNS(C)(=O)=O 1693255771 QCSGFSZYZIDWKO-OAHLLOKOSA-N 404.540 1.713 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1696498769 XEPZFYCFYOZJRJ-LPHOPBHVSA-N 424.571 1.632 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C2CC2)N(C)C)CC1 1698084834 ATAPNNBVPLDDGK-OAQYLSRUSA-N 423.565 1.925 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCCc1cnn[nH]1 1702931573 KOQNXSBYADVFLU-NSOKGPEJSA-N 401.511 1.747 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705530240 UYUPRAWKGGFZCN-KRWDZBQOSA-N 409.494 1.464 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1705531330 GCYJAENSBRQWDA-QFIPXVFZSA-N 419.489 1.307 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1705566621 OVKNJYDLGYJQOH-HOTGVXAUSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1c(C)nn(C)c1C 1705584968 FRMBEFCPEQVIKW-UHFFFAOYSA-N 421.530 1.741 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@H](O)C1 1705585413 RRHZWKRYXGMNCE-IRXDYDNUSA-N 411.531 1.894 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1705612167 AYTBAIVNPYHFNW-RCCFBDPRSA-N 407.584 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](C)OC)CC1 1705645895 IMOSVTTWTULNSS-AWEZNQCLSA-N 416.913 1.994 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C)n1CC1(O)CCS(=O)(=O)CC1 1705863161 JTUFEMKIVRSIRW-UHFFFAOYSA-N 408.499 1.858 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1705897671 RBPXAQBQLLXNGO-INIZCTEOSA-N 401.446 1.428 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1709851413 REODSAYSEMLVAG-NRFANRHFSA-N 418.542 1.975 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1710980499 GVUVQWIJSCCMNE-NRFANRHFSA-N 410.478 1.291 30 10 HDEE COCCOCCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1712610963 NLNCWPROHQLYQI-SFHVURJKSA-N 401.467 1.736 30 10 HDEE CSc1cccc(F)c1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1712770580 GKOQVUZZVIQEGR-DOMZBBRYSA-N 416.482 1.867 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCN(CC(F)F)CC2)o1 1712881362 QTWYGDZVCCNETK-UHFFFAOYSA-N 419.436 1.414 30 10 HDEE C#CCC1(C(=O)N(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOC)CCCCC1 1718825129 DCSLKVIPAZVCRV-RMMWZPCPSA-N 402.535 1.975 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722337027 UCERVGFTWNTASG-MRXNPFEDSA-N 405.462 1.928 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1722353482 WVGNRYANTZTAJO-HOTGVXAUSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1CCC(OC)CC1)[C@@H]1CCS(=O)(=O)C1 1722371732 XVNWDJLPLLEPRU-LXPRWKDFSA-N 424.567 1.647 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1722389229 FSHCAWFZGBUORP-CADBVGFASA-N 405.502 1.672 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1722436456 GYUBLEBAXWSILL-RTBURBONSA-N 416.570 1.827 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)OC)CC1 1722481591 DUWNSBFHYFLNBB-UHFFFAOYSA-N 409.288 1.977 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722602828 CESCZEVHVBJXCN-CVEARBPZSA-N 422.555 1.093 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CC2)C1 1722719914 CDFZPMYOJSTRLR-SFNQZPIRSA-N 418.567 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1722723723 CYQTXZXSZCPVKA-RDJZCZTQSA-N 411.572 1.709 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722737993 YOQVGGZINBGXQV-KXBFYZLASA-N 404.540 1.982 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1724657827 RUWYMISDZVTJJW-GVNFOSLFSA-N 401.551 1.900 30 10 HDEE Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cs1 1725453779 DAMRCLDLULAQNO-VXGBXAGGSA-N 411.557 1.634 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)c1=O 1728540358 FNTKAKNTLLYIJD-QGZVFWFLSA-N 409.494 1.589 30 10 HDEE CN(C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1729339814 RQMQAIJLDVHXSL-QGZVFWFLSA-N 415.454 1.160 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1740616160 UVJGZASNBUVMIV-MRXNPFEDSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1740628850 VLIWNHUQJQLZDJ-IAGOWNOFSA-N 422.551 1.258 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(N2CCNC2=O)CC1 1740715451 JIEKFUUEYZUKMX-UHFFFAOYSA-N 412.523 1.096 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(N)=O)CC1 1740763027 XHRXUZPBYZPVOF-SCTDSRPQSA-N 403.527 1.855 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740806303 LXFOZEYGIMLSPH-CQSZACIVSA-N 401.858 1.565 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740889945 NRVCLIRIKKWBRZ-HZMVEIRTSA-N 422.482 1.709 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740956531 UPAAWDAPRBHAPK-ZWKOTPCHSA-N 415.469 1.771 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C)o2)nnc1[C@@]1(OCC)CCOC1 1740964294 ARKWVHGEAWZHJH-HXUWFJFHSA-N 403.483 1.770 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1740980995 NJJTYWZQZLWLPU-YESZJQIVSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2CCC[C@@H]21 1740994291 MLXFXYRETHXARA-HOTGVXAUSA-N 407.540 1.380 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1741006533 LMPKPVUQWHNWBS-RIFZZMRRSA-N 421.567 1.780 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1741687681 PZJGWLZLMTWNES-JOCHJYFZSA-N 421.505 1.590 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1747338882 NIBLTMRZZYWQDL-ZPHPHTNESA-N 414.466 1.846 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1)[C@H]1CCOC1 1747619001 RIIKZWTUCNOJFT-SFHVURJKSA-N 415.519 1.867 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1748182168 HWQIYRMCKOKAED-INIZCTEOSA-N 405.462 1.739 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1748665196 OQPQVSVAQAJMMA-QKKBWIMNSA-N 424.530 1.518 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1748843815 JPPYNVXDAFUGSF-SFHVURJKSA-N 405.458 1.396 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)OCCO2 1748935530 WHPDQPICSSGNBC-UHFFFAOYSA-N 409.490 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1748968910 OCSHQHUDFHTUCS-JOCHJYFZSA-N 422.489 1.293 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1749034002 UHKDZLCCNMGVHZ-ZDUSSCGKSA-N 416.507 1.039 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1cnccn1 1749116043 ZBCYCUUMWBFISO-AEFFLSMTSA-N 413.526 1.866 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2O)C1 1749210618 KFUSTIBAVYLJFA-UHFFFAOYSA-N 412.494 1.770 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1749445557 RSADCPKWZCSXDB-CABCVRRESA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OCC2CC2)C1 1749678020 SJLDKSQCPHXWHU-KRWDZBQOSA-N 416.526 1.098 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749758366 POKWXJULMRVZOZ-UHFFFAOYSA-N 406.600 1.894 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1750079934 WLZTYJPDLQCTKD-HNNXBMFYSA-N 419.493 1.830 30 10 HDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1752103647 HSIPCZPIQTXFEM-FOIQADDNSA-N 417.535 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760201637 XNQMLCPDVBRLGQ-QGZVFWFLSA-N 404.449 1.829 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1760258086 PHEHVRJNQMCSDN-FQEVSTJZSA-N 424.597 1.065 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC[S@@](=O)C(C)(C)C)CC1 1760262262 KGDRLSAFLSRSBQ-GDLZYMKVSA-N 414.579 1.566 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)C2CC2)CC1 1760287388 QPAGKTGWNFTIJC-QGZVFWFLSA-N 403.552 1.991 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1760456110 HJWQZRCYLXYHBN-CYBMUJFWSA-N 403.512 1.630 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1760520549 RQEAJMOZLMDFLN-UHFFFAOYSA-N 400.874 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1760557790 WHHJEZATZJNFNN-HXUWFJFHSA-N 424.567 1.607 30 10 HDEE CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1761124620 RTUBNEHULWTMHE-HZPDHXFCSA-N 412.494 1.988 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1764941662 CZMCHDDSSBRIDJ-FQEVSTJZSA-N 410.522 1.574 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1769475470 IDENEOLZVNUSGP-KRWDZBQOSA-N 408.466 1.493 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)ON2C(=O)c3ccccc3C2=O)ccc1F 1772788558 WIHFWYARJQFBRO-UHFFFAOYSA-N 404.375 1.658 30 10 HDEE N#Cc1ccc(C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 1848488442 XJMOXUUWNLVZRK-UHFFFAOYSA-N 408.439 1.928 30 10 HDEE COc1cccc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1OC 1851248062 HEGHGTYPFRCQIP-UHFFFAOYSA-N 406.446 1.846 30 10 HDEE N#Cc1ccccc1N1CCC(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CC1 1851286617 QCHGBVNORAKERV-UHFFFAOYSA-N 402.520 1.411 30 10 HDEE C=CCN(C(=O)CN1CCN(C(C)=O)CC1)c1nc(-c2ccccc2)ncc1OC 1851829034 KKXHELREHXTULH-UHFFFAOYSA-N 409.490 1.835 30 10 HDEE CC(=O)N1CCC[C@@H](CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852880286 DRWATDTUTVNANJ-IFMALSPDSA-N 401.507 1.913 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@@H](N2CCC(CC#N)CC2)C1=O 1853650768 DBSSBEMXSMOFJE-QGZVFWFLSA-N 400.479 1.541 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)C12CCCCC2 1853684546 UIFFSRULEWDXCN-UHFFFAOYSA-N 411.568 1.608 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)cc1 1853726637 FSRPQWOFVLLLNQ-UXHICEINSA-N 406.490 1.765 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1854080158 QYEFVJJGNCRTJN-KRWDZBQOSA-N 401.488 1.200 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2onc3c2CCCC3)C1=O 1854083171 YUZPNBGOURYVFE-MSOLQXFVSA-N 414.506 1.793 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4nccnc4n3)C(=O)C2)C1 1854980134 SALIKZUTHMASRP-CVEARBPZSA-N 407.478 1.076 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2COc3ccccc32)CCN1CC(=O)c1ccc(C#N)cc1 1855121476 XBVXATDINCRKIO-BEFAXECRSA-N 403.438 1.976 30 10 HDEE COc1cccc2sc(N3CC(C(=O)N4CCN(CCCC#N)CC4=O)C3)nc12 1855546184 NYWQTGMYSCVYLX-UHFFFAOYSA-N 413.503 1.716 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(CCCC#N)CC2=O)c1 1855562456 APXCQRIPGBPLEN-SFHVURJKSA-N 418.519 1.123 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)C1=O 1855789913 MMWSYRCXSQRLHV-LJQANCHMSA-N 411.506 1.265 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2ccc(N3CCOCC3)nn2)C1=O 1855853975 OZNXWMDIHJJQBZ-PKOBYXMFSA-N 413.522 1.875 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2)CC1 1856150865 QPXSGXNCSUERMZ-ZWKOTPCHSA-N 409.490 1.578 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@H](F)C2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856236216 ZZXNKWXRLCDVEU-IFXJQAMLSA-N 414.485 1.372 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C(=O)C23CCCC3)cc1 1856583672 NXFHBLGXFOUGPT-SFHVURJKSA-N 415.515 1.477 30 10 HDEE Cc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c(C)c1 1856679985 QEAIERBXALUHOM-GOSISDBHSA-N 419.503 1.759 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCN(CCc4ccccc4)CC3)C2=O)ccn1 1856927590 NJACURRTTJWUEM-NRFANRHFSA-N 403.486 1.555 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)COc3ccccc3Cl)C(=O)C2)C1 1857220252 NUMTWIBEZCVSHY-INIZCTEOSA-N 404.898 1.768 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(C(=O)C4CC4)CC3)CCC2=O)cc1C#N 1857475307 UJQVTAUQPWBASK-KRWDZBQOSA-N 408.502 1.800 30 10 HDEE N#CCCN(CC(=O)O)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1866336697 FLUMZZBAIUFITR-UHFFFAOYSA-N 413.883 1.955 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCCCCC2)cc1=O 1870562621 OUPXMDRAJISTMN-UHFFFAOYSA-N 403.504 1.932 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647081 WVULNIRLLDXMPR-UHFFFAOYSA-N 417.901 1.989 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871647293 PHHXRGQDJXHGBR-UHFFFAOYSA-N 404.902 1.712 30 10 HDEE COCCN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)C1COC1 1879295254 HENLRJKSMFGOQS-UHFFFAOYSA-N 413.121 1.995 30 10 HDEE N#CCS(=O)(=O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1881288550 ZKJFWWYAEHISSA-GOSISDBHSA-N 414.439 1.917 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 1889578192 YBLNTDZCBAUCBO-UHFFFAOYSA-N 423.554 1.636 30 10 HDEE C#C[C@@H]1CCCN1S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2145050540 QNURBKOQPFCZNR-SECBINFHSA-N 405.213 1.776 30 10 HDEE Cc1csc(CNS(=O)(=O)NCC(F)(F)F)c1B1OC(C)(C)C(C)(C)O1 2157012531 MFYBDFIQTYARAX-UHFFFAOYSA-N 414.280 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174781165 CLESTPDCAGGKLH-AWEZNQCLSA-N 401.529 1.872 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H]1CCNC(=O)OC(C)(C)C 2174781695 IIZHHXHYCUTJNC-GOEBONIOSA-N 400.545 1.949 30 10 HDEE Cc1ncc(S(=O)(=O)N=S2(=O)CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 2174782457 QQOGDCWSJLQKGX-UHFFFAOYSA-N 414.509 1.669 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)CC2(C#N)CCC2)CC1 2174789140 MWADEOGRYQFOAS-LSDHHAIUSA-N 401.529 1.608 30 10 HDEE C#CCN(C(=O)O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180132772 HVOSYDHOIQCBBL-HUUCEWRRSA-N 400.497 1.645 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197505211 JONVRIMZCAIOIX-CQSZACIVSA-N 401.529 1.713 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243667069 DIXMNZZRYQTEMU-LSDHHAIUSA-N 410.320 1.908 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@@H]21 2247804227 IVIDURNDMKHLFN-JYJNAYRXSA-N 420.315 1.762 30 10 HDEE C[C@@H](CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2247813417 WJUVMQZRBPQTHV-INIZCTEOSA-N 421.347 1.679 30 10 HDEE Cn1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247822066 BPJVEJKATHQYAS-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NC[C@H]3CCN3Cc3ccccc3)nc2)OC1(C)C 2247921799 VXJHFGJRZBTBHD-GOSISDBHSA-N 408.311 1.780 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)S(N)(=O)=O 2267124257 IWYHRQLPQJAIDQ-MRVPVSSYSA-N 408.738 1.108 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@H](CO)C3)cc2Cl)OC1(C)C 2267353171 CMGPEZCKMHRPJE-AOOOYVTPSA-N 407.750 1.750 30 10 HDEE C#CC[C@@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354596 CAIKLXDATUDCIQ-SNVBAGLBSA-N 405.734 1.363 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(F)CNC3)cc2Cl)OC1(C)C 2267356624 NDMNCQYFEZIVAV-UHFFFAOYSA-N 410.729 1.291 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716047 HFWQITMTWKRKRM-VKTRGTBVSA-N 408.376 1.181 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CNCCCO3)c2Cl)OC1(C)C 2282057425 GVQYYFFGFAFUMF-LLVKDONJSA-N 400.737 1.809 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282196660 CZZOVKMITDHRPE-GFCCVEGCSA-N 401.359 1.989 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCSC(C)(C)C 2282327428 HWPAPYRDVTZPLD-UHFFFAOYSA-N 403.379 1.529 30 10 HDEE CN(C)CC1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282329093 HTFCOBVTFVVZEW-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE C[C@H]1OCCO[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337898 KGMBNZDJKPSJRE-DGCLKSJQSA-N 403.331 1.130 30 10 HDEE C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338532 OCHBADDKUFUGDW-STQMWFEESA-N 401.359 1.686 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](C)CCO)c1B1OC(C)(C)C(C)(C)O1 2282498370 CKUZWPDMVUOJSS-LLVKDONJSA-N 403.375 1.961 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282540064 DMVPXURYFCPJAQ-LBPRGKRZSA-N 401.359 1.989 30 10 HDEE C[C@@H]1CNCCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282834478 VBVHYTOXJQRMRR-LLVKDONJSA-N 420.793 1.931 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839234 AUDARFFYXKWIDO-STQMWFEESA-N 400.375 1.856 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@](=O)C[C@@H]1C 2282840242 FCUYWIFRTLCMPM-FTJNGKRUSA-N 419.399 1.497 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282864465 GKBMYPNLNWGFSS-RUZDIDTESA-N 403.331 1.419 30 10 HDEE C=C(CS(=O)(=O)N(C)C[C@@H]1CCCCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2282866096 DFHVQLVAUQTSMW-AWEZNQCLSA-N 407.363 1.403 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282866666 NETOCSOOUGTQQN-SSINHNECSA-N 421.777 1.685 30 10 HDEE CC[C@H]1CCNC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882490 MNCGQWWDDZIKGR-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE C[C@H](CCCC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395262 JPVJBMNBWDFAKX-LLVKDONJSA-N 403.331 1.969 30 10 HDEE C=CC[C@@]1(CO)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2287755063 NVWBEXSVAKMONO-RDTXWAMCSA-N 404.529 1.102 30 10 HDEE CC#CCN(CC(=O)NCc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C 2337920719 ZAYUJFKNSFWREJ-UHFFFAOYSA-N 401.510 1.272 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 2342036455 DLBWDNKEYXPGQS-GJZGRUSLSA-N 402.582 1.755 30 10 HDEE CC[C@]1(C)[C@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2361993183 WELFCUXREUVNEX-RHSMWYFYSA-N 401.359 1.971 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)C#CC(C)(C)S(C)(=O)=O)C1CCOCC1 2365208983 FKPZTJVQGUCJER-HNNXBMFYSA-N 401.525 1.950 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C12CC(NC(=O)OC(C)(C)C)(CO1)C2 2365210468 KGZGZCYCFWYHFX-FTXHTYHOSA-N 400.541 1.617 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367790007 FQLZIZFJOOYSAJ-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2367790012 FQLZIZFJOOYSAJ-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797172 UEIFXBJLWFNDGR-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 2367802213 ZHZFGAORXHTCFA-QAPCUYQASA-N 400.541 1.477 30 10 HDEE C[C@H]([C@H](O)C#CC1(S(C)(=O)=O)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2367802818 FKODNHIUPGEFLA-HZPDHXFCSA-N 400.541 1.259 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 27559249 GCCOGRVNBUPFGA-CYBMUJFWSA-N 409.874 1.495 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)cc1 96352713 ROCUEYNTAXUELX-UHFFFAOYSA-N 413.455 1.932 30 10 HDEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 96353184 HUHQBPJNWYYTJX-UHFFFAOYSA-N 400.416 1.454 30 10 HDEE C#CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)[C@@H]1CCS(=O)(=O)C1 111047893 OZYHKZSBPZOMGE-CQSZACIVSA-N 405.545 1.949 30 10 HDEE Cc1ccc(Cn2c(NN=Cc3ccccc3O)nc3c2c(=O)n(C)c(=O)n3C)cc1 254702670 CFDIKCMEBOZCBH-UHFFFAOYSA-N 418.457 1.942 30 10 HDEE COc1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 263630371 XQGWVCXBGDYSHD-ZIAGYGMSSA-N 412.489 1.552 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 435264081 URWOPGXWKBOBAR-TWOQFEAHSA-N 408.520 1.950 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1 437494674 KTZAZOMPZXTOTQ-CQSZACIVSA-N 405.451 1.902 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 438606053 HXXZBXKIWNBEJR-OPQOLIRYSA-N 410.474 1.935 30 10 HDEE COc1cccc(C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482170630 NGAKKUHVCVNCBN-HUUCEWRRSA-N 401.488 1.981 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCO[C@H](COc3ccccc3)C2)CC1 484556644 KZNQUMJBUCOGRX-LEWJYISDSA-N 400.523 1.459 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 486017420 PHSJJRTUXFLPGZ-LBPRGKRZSA-N 408.457 1.960 30 10 HDEE COCCS(=O)(=O)c1ccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489830580 MLYAKHSUBPPIJB-UHFFFAOYSA-N 409.489 1.160 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNC(=O)c3c(F)cccc3F)cc2C1=O 494456794 MLLLZKFTQRJVBA-UHFFFAOYSA-N 413.380 1.907 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)CC)CC1 508498175 QAXLNFVOENESPR-KRWDZBQOSA-N 403.508 1.612 30 10 HDEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508893880 ISZXNXNOYGTHFO-UHFFFAOYSA-N 416.551 1.097 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 514623591 QUYWGVSDRLDGNY-UHFFFAOYSA-N 415.513 1.584 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 517764506 YKBZYSVKGMLYRK-HKUYNNGSSA-N 422.522 1.809 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 535192537 OYJYJOOFXADKJV-SJORKVTESA-N 406.508 1.532 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cn1C 536126619 WTMJDJLZNPNHQL-ZDUSSCGKSA-N 400.382 1.947 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)C1=O 538651314 FBHNDKFHZGWPTE-OAHLLOKOSA-N 422.445 1.155 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 539475938 UJKVDTRWXPEHHH-SFTDATJTSA-N 403.486 1.956 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CCCC1 544748000 UCADIFDKLKEXIJ-UHFFFAOYSA-N 408.499 1.796 30 10 HDEE CN(C)C(=O)COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546917866 LIBBFDHREKINEJ-UHFFFAOYSA-N 408.462 1.774 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC)CC1 549338812 GCIPFOZGMJLSSL-UHFFFAOYSA-N 407.522 1.725 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1C[C@@H]1CCCO1 549881679 YSYAVPYSEQUFNF-KRWDZBQOSA-N 416.507 1.148 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCC(C)C)n2C[C@H]2CCOC2)CC1 555498033 PGNYCZCRDKCTCM-GOSISDBHSA-N 404.559 1.327 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)cc1C#N 555551608 ALYXQCPCVDYPGX-UHFFFAOYSA-N 414.487 1.539 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)NCc1cc(F)c(C#N)c(F)c1 557386578 WEDRDZMCEZLGMI-UHFFFAOYSA-N 417.416 1.726 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 558456273 DEBXDAXJJLYHPY-ICSRJNTNSA-N 422.533 1.883 30 10 HDEE N#Cc1ccnnc1N1CCN(c2ccc3ncnc(O[C@@H]4CCOC4)c3c2)CC1 585565208 GKWKVKCFTCPKQR-QGZVFWFLSA-N 403.446 1.786 30 10 HDEE CC(C)n1nc(N2CCCC[C@H]2C/N=C2/NS(=O)(=O)c3ccccc32)ccc1=O 585611159 RVYLKGNWOUEFGS-HNNXBMFYSA-N 415.519 1.922 30 10 HDEE COc1ccc([C@H](C)NC(=O)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1F 585692381 JORJIDQAAQQDFQ-NSHDSACASA-N 402.430 1.280 30 10 HDEE CCn1nc2c(cc1=O)CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC2 608096322 SZKKWGHJADCNGR-UHFFFAOYSA-N 418.419 1.808 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C#N)cc2F)cc1 609229883 WVUZIRQUKMDRMP-UHFFFAOYSA-N 418.450 1.593 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1c1cccnc1 609841232 IUAQWRRKHXBCFG-IIBYNOLFSA-N 407.449 1.961 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 610704854 TWMOINOAURMIHP-ZIAGYGMSSA-N 404.430 1.070 30 10 HDEE N#Cc1cc(CS(=O)(=O)Cc2nnnn2-c2ccccc2Br)ccn1 610955082 ZGPYNMPXKDFVTB-UHFFFAOYSA-N 419.264 1.806 30 10 HDEE C#CCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 729332355 YACIGGMAWSWSJZ-RDJZCZTQSA-N 408.545 1.704 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3F)c2=O)cc1[N+](=O)[O-] 730251027 DLENPHPQOYFPBK-UHFFFAOYSA-N 422.397 1.982 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCOc3ccccc32)c1 731769665 AXHZLGHWBMPTNI-UHFFFAOYSA-N 413.455 1.710 30 10 HDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CNC(=O)c2ccc(C#N)cc2)cc1 732287720 DMRQPXYYAKWCQR-LJQANCHMSA-N 406.442 1.926 30 10 HDEE CSc1nc(C)c(CCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c(O)n1 734293416 UYLYBGWWXNIJEW-UHFFFAOYSA-N 406.489 1.830 30 10 HDEE COC(=O)[C@@H](OC(=O)CCn1c(=O)nc(O)c2ccccc21)c1ccc(C#N)cc1 740193599 WRSQWUZTZAHRME-SFHVURJKSA-N 407.382 1.821 30 10 HDEE C[C@H](CC(=O)N1CCCC[C@@H](N2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742650645 WCBRHNOYMOSNPO-IAGOWNOFSA-N 418.563 1.981 30 10 HDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 746772333 LAAPJFZYAWQMTH-UHFFFAOYSA-N 414.487 1.783 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1 753809334 JBPCWKUVUSBFFF-UHFFFAOYSA-N 411.461 1.137 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 756204289 OBSSKRBZASUPLG-UHFFFAOYSA-N 423.404 1.682 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)OCc2ccccc2)C(C)C)CC1 758653309 YWPGBKWSOHASMO-FQEVSTJZSA-N 416.522 1.384 30 10 HDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)CC(C)(C)S(C)(=O)=O 764452733 VBMVHGUOFQPCDE-UHFFFAOYSA-N 404.454 1.928 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C[C@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 780564611 CDZRRUGGQOLPNA-RTWAWAEBSA-N 422.533 1.447 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)c1 783453278 RPEGSSXTKPZWSD-UHFFFAOYSA-N 405.458 1.699 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)Cc2cccc(C#N)c2)cc1 783999556 CXNDXSVZTONXAV-UHFFFAOYSA-N 400.456 1.619 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 795329027 YUSOBYFHGDXHET-UHFFFAOYSA-N 406.391 1.506 30 10 HDEE C#CCN(C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)[C@H]1CCS(=O)(=O)C1 799240631 KYIJXBDMNCJYKS-MAUKXSAKSA-N 419.503 1.259 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccc(OC)n2)CC1 802507712 KWDIWMIUUSIPEN-UHFFFAOYSA-N 420.477 1.588 30 10 HDEE C=CCCN(OCc1ccccc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 807577571 BZWUKTYNQBKPCK-GOSISDBHSA-N 410.540 1.977 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807931091 OBSZEGASTZKPRC-CYBMUJFWSA-N 410.862 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCCNC(=O)c3ccccc3)NC[C@H]2C1 849086737 MWBLOUGQOODXNK-KRWDZBQOSA-N 401.511 1.687 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849498393 RQULOWIYUAOFSD-MSOLQXFVSA-N 423.521 1.541 30 10 HDEE CCn1c(=O)c(C(=O)CN(CCC#N)CC(C)C)c(N)n(Cc2ccccc2)c1=O 916644889 ASIQCVQBMAFXIT-UHFFFAOYSA-N 411.506 1.715 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 917791135 IGABEGQBRFYIAN-UHFFFAOYSA-N 405.483 1.554 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2noc3c2COCC3)cc1 1125135420 FKIILVBQIMQHHQ-LTGZKZEYSA-N 404.448 1.812 30 10 HDEE C=CCN(C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1125953149 AEFVMUOCVZLTMQ-SOUVJXGZSA-N 404.504 1.783 30 10 HDEE CN1C(=O)[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)Cc2ccccc21 1131032538 FIPAVQYOZJNVMO-QGZVFWFLSA-N 412.471 1.196 30 10 HDEE C=C(C)C[C@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)OC 1132422458 TZUSZGGWDMZSAJ-INIZCTEOSA-N 417.462 1.818 30 10 HDEE CCOC(=O)C1([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1134595185 MGTCRKJCEBMLKB-NVXWUHKLSA-N 413.474 1.776 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1137093346 ZLLJCPWRBZEQCY-VOTSOKGWSA-N 403.460 1.396 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1140719727 OOJNGNLLFZDWTO-AWEZNQCLSA-N 415.313 1.037 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)s1 1150252716 XQFMJIUKHFFPBR-CXAGYDPISA-N 416.590 1.926 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1156016334 YULZMOIYJPFEAJ-QLFBSQMISA-N 404.529 1.412 30 10 HDEE CN1CCN(CC2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)CC1 1159366261 MRXNFWXJONMKHX-UHFFFAOYSA-N 404.536 1.083 30 10 HDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)C1CCN(S(N)(=O)=O)CC1 1164504338 XIDMITYKYWQRPH-UHFFFAOYSA-N 415.475 1.908 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1167469997 FWNXHAINKOSWKM-MRXNPFEDSA-N 412.446 1.677 30 10 HDEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1167523515 HCURIQHIIYLUPD-ZDUSSCGKSA-N 415.475 1.006 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2C(=O)OC)c1 1185616448 ZSALXZVITKCSCB-UHFFFAOYSA-N 416.455 1.722 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCCCC2)[C@H](O)C1 1193903967 HPHWELHBESOJRU-LSDHHAIUSA-N 401.529 1.750 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1228508253 ZELPUSXAJMAATR-MSOLQXFVSA-N 409.508 1.445 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nn(C)cc1I 1246899489 QKIUPKBRLLCFFF-ZWNOBZJWSA-N 404.252 1.805 30 10 HDEE Cn1ncc(I)c1CNC(=O)NCC#C[C@@H]1CCCCO1 1254555250 FHGDHONMLXGQIV-NSHDSACASA-N 402.236 1.396 30 10 HDEE C[C@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1277455587 HWLWTKQTEBTKRN-CZUORRHYSA-N 414.462 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1286297787 DJVJFEQXYQWLKY-UKRRQHHQSA-N 406.483 1.834 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1286390306 AFIKWGGENCVLFI-BZSNNMDCSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H](C)N1CCOCC1 1286405019 YQACEEAWKRPKNS-SFHVURJKSA-N 423.517 1.756 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)C)CC1 1286505390 YPEOFHDYIYWUEQ-UHFFFAOYSA-N 416.551 1.903 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N2CCOCC2)CC1 1286638521 DJQJNOPYMKJJQX-NRFANRHFSA-N 419.526 1.336 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1286716700 KTNJGZAAQPNTHU-NRFANRHFSA-N 420.558 1.105 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286782212 OGAPDFMOXSHYRM-QAPCUYQASA-N 410.478 1.359 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CN3CCN(C)CC3)s2)n1 1297349498 FDNVLFTZCMFFLW-UHFFFAOYSA-N 415.563 1.614 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)cc1 1299414448 OTDSCTFPFZETNX-UHFFFAOYSA-N 424.500 1.815 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1300574362 WGNOCIBIACQSTM-KSZLIROESA-N 413.478 1.146 30 10 HDEE C=C1CN(C(=O)CS[C@@H](C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1 1300667440 ZTYIWQDZUCZCOP-HNNXBMFYSA-N 400.504 1.943 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 1300970190 PSLFRSWAUBWLCY-ZYXMVNNGSA-N 409.364 1.954 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301248450 DQAYKHHIWZRCSH-SFHVURJKSA-N 412.498 1.583 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1301294670 AERPIEPQHDEOKP-HNNXBMFYSA-N 401.467 1.279 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301473967 PFPINPIKWRTGSX-FXAWDEMLSA-N 402.499 1.607 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303432993 AYHVLFGGGAZJIF-IAGOWNOFSA-N 401.515 1.221 30 10 HDEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H](C)N1CCN(C(=O)CC#N)CC1 1307776908 CHSYEJXJSCIDSS-CYBMUJFWSA-N 406.508 1.872 30 10 HDEE COC(=O)[C@H](c1ccccc1C(F)(F)F)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308100792 SUCDJOBLGBFVGU-PJODQICGSA-N 402.394 1.790 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1310224540 KKGKJZRPPUKPFT-UHFFFAOYSA-N 411.506 1.577 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(F)(F)Br)CCO1 1316535665 XEHSGGVOWXTNBU-SNVBAGLBSA-N 419.230 1.231 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 1323715044 IBPDMXHTMLSYCQ-OAHLLOKOSA-N 413.927 1.939 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1325256650 VWWKNYHCIZQJSX-HNNXBMFYSA-N 410.492 1.320 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OC(C)(C)O2 1358948917 OVYVCGCTKIFQKH-HNNXBMFYSA-N 416.503 1.805 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)OC(C)(C)C 1358968594 RMADXWRJVOXVEJ-UHFFFAOYSA-N 416.526 1.794 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1358994197 HGDJLEHPZWRJNI-OFNKIYASSA-N 421.501 1.320 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359235704 KSAUEIRKFKDTIF-CQSZACIVSA-N 419.507 1.578 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C)[C@H](OC)C1 1359296902 YIRNXXMVGKUKTE-KBXCAEBGSA-N 413.478 1.837 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncnn2C(C)(C)C)C1 1359319244 VXEJRVFBEKDZAZ-INIZCTEOSA-N 411.514 1.855 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(CO)c2)C1 1359324615 OPORPXPCKUEQBO-LJQANCHMSA-N 411.506 1.722 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CC2)nc1 1435012070 GRSKTBRBQDGITP-HSZRJFAPSA-N 403.486 1.886 30 10 HDEE C#Cc1cncc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)c1 1439262255 MAZXBLYRDNGFTR-HYFFOGBASA-N 413.474 1.981 30 10 HDEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 1441629717 IIWVFXAZXCHEHN-HEHNFIMWSA-N 405.480 1.595 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccccc1 1442638798 QRHFBEKVUFMQLN-MRXNPFEDSA-N 409.508 1.388 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2Cc2ccccn2)c1 1445190749 QSSLDWATZZAKAQ-UHFFFAOYSA-N 409.471 1.799 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1452271900 WRDSDQIWEMQNDI-IAOVAPTHSA-N 414.462 1.857 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CC1 1453844439 YJAMSUPOKXPSCT-UHFFFAOYSA-N 404.513 1.827 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C 1454934588 FGJPLIDEZPHJFC-ZDUSSCGKSA-N 405.455 1.772 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)C1 1455705992 QTQZTOHJAXPFMP-FQEVSTJZSA-N 417.575 1.918 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nccn2C)C(F)(F)F)c1 1457383627 GUOUVSLSWBLFLU-CYBMUJFWSA-N 402.398 1.918 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1Br 1458274615 CVSDPQJSVNATOF-OAHLLOKOSA-N 414.325 1.952 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(I)c(F)cc2F)CC1 1465872638 TVVCCAVVVXQTAN-UHFFFAOYSA-N 419.169 1.767 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc3c2CCN3C(=O)COC)c1 1466113192 RVKJSOUMKCBJNH-UHFFFAOYSA-N 406.442 1.964 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CC3(CCOCC3)CO2)C1 1469729347 KYSMWUZNYIAMLP-JYJNAYRXSA-N 408.499 1.630 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 1471798959 ZDGPOHOWEYFLBP-ICSRJNTNSA-N 421.563 1.772 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCc2cncc(C#N)c2)cc1 1471965859 FJUMKXWGBQVEPN-UHFFFAOYSA-N 414.487 1.873 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(-c3nc(C)co3)ccc2C)CC1 1475407158 FQTABOBCNOTDKB-UHFFFAOYSA-N 416.503 1.014 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1478780174 JKQCEFICTZWZCN-OAHLLOKOSA-N 419.503 1.276 30 10 HDEE CCO[C@@H](CNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)CN(C)C 1479267945 MNBHRUVAZYOSJX-SFHVURJKSA-N 410.522 1.905 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1503249648 UUTSYGIEBLIDRT-UHFFFAOYSA-N 400.464 1.724 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1503404070 XZBROGAQXJMHGE-MOPGFXCFSA-N 423.521 1.110 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1507531435 DZYAYJOGGQQPSE-ZWKOTPCHSA-N 410.522 1.910 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1507605593 WGUUXBVGUUCLBZ-QFIPXVFZSA-N 418.586 1.414 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507631298 CQEXJKVJHCAXMB-HZMVEIRTSA-N 419.551 1.292 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncc(CC)s2)CC1 1507716440 RGPOMCJWQRZEEV-UHFFFAOYSA-N 401.540 1.239 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)[C@H](C)CC)CC1 1507740068 WUIQTKJJQPGVIN-QRQLOZEOSA-N 417.554 1.809 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1507745394 BOFIAEWHRWPCHC-CQSZACIVSA-N 410.569 1.385 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC(=O)N1 1507762388 YNYDNLKETMRVGC-HBGVWJBISA-N 401.511 1.589 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1507954185 LBWMOCOYNXVVMI-MRXNPFEDSA-N 421.567 1.641 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507972657 YXKBHFHIMUPCEW-FQEVSTJZSA-N 407.515 1.190 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(N)=O)C1 1508159876 ZXNGGOJQARNFJE-OAHLLOKOSA-N 415.519 1.947 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512211130 ZZUYCPQRLNCHRB-RMYFCYLKSA-N 408.466 1.498 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCOC1 1513401985 ZXTOJRNJBFGYQY-QAPCUYQASA-N 415.542 1.410 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1513760626 GOTSHEXPQUYING-KRWDZBQOSA-N 420.521 1.899 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)CN1CCCC1 1513923179 HICHALGGDGOVAC-ZWKOTPCHSA-N 423.569 1.949 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c(-c2ccc(C#N)cc2)n1 1528583396 MVXMEDMWAOSIDG-ROUUACIJSA-N 405.458 1.750 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cccc(CN3CCS(=O)(=O)CC3)c1)C2 1532955165 YDSASDGKZYLOPO-OAQYLSRUSA-N 409.511 1.686 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)Cc2cccc(OCC#N)c2)C1 1536923067 ZVLXXDWNDNHQPR-UHFFFAOYSA-N 414.462 1.079 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)C[C@H]1CS(=O)(=O)C2 1537005574 IVVGKWVAOXNWKT-XGWLTEMNSA-N 409.305 1.876 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H]1CC 1539126227 ULBNDOBCLKOOSI-ZACQAIPSSA-N 409.556 1.649 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1539272088 SGIWDNADNPVMRY-UHFFFAOYSA-N 417.510 1.409 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc21 1539391708 HLBXVLZWMGWYJC-GOSISDBHSA-N 424.549 1.954 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CC2(CCOCC2)C1 1539413975 PQOUJDYXHQFOBJ-KRWDZBQOSA-N 401.511 1.522 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC[S@@](=O)C(C)(C)C 1539563172 IAHAQYQNMJZTKS-PIIWDFAUSA-N 405.568 1.940 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1540180191 JGJPGSCKOUSIOQ-MOPGFXCFSA-N 411.506 1.880 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(I)cn2)CC1 1540522853 LBNVVFGKRRNJKA-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1540617333 DLFJUVSBLKKERQ-INIZCTEOSA-N 423.514 1.170 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540864939 PLNOSLGPQRCCAL-OAQYLSRUSA-N 412.494 1.218 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1[C@H]2C[C@H]2CN1C(=O)OC(C)(C)C 1544571435 HBRLLOAYRKDMIJ-WBTNSWJXSA-N 412.494 1.641 30 10 HDEE Cc1cn2nnc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)c2c(O)n1 1546184982 COZNJHNLXBSIOO-UHFFFAOYSA-N 405.418 1.501 30 10 HDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1547074864 HWIANJLPTOPIPN-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE CO[C@@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1554609649 LPQPJIZBELGIJI-JONQDZQNSA-N 420.514 1.812 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(OC)CCOC1 1555746125 BQXYQCWCBSQVGA-ZCLUNYJNSA-N 419.526 1.938 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCCC[C@H]4C3)n2CCOCCCO)c1 1555987377 FYLFLMYGTMPWNN-FQEVSTJZSA-N 410.522 1.890 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CC3)n2CC[C@H](N2CCOCC2)C(F)(F)F)CCO1 1555993121 INJUGXHZRNNTNH-GJZGRUSLSA-N 414.432 1.537 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](n4cc(CO)nn4)C3)n[nH]2)c1C 1556805907 AZLXTSALSCBHIZ-MRXNPFEDSA-N 410.482 1.637 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](c1ccccc1)c1nc[nH]n1)c1cc[nH]n1 1556951334 UFPKNFFPWYXMDL-KRWDZBQOSA-N 411.422 1.060 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(N)=O)cc2OC)s1 1557001041 NZAXLISIQLIRMB-UHFFFAOYSA-N 409.489 1.501 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCN(CC(F)(F)F)CC2)cc1 1557018318 KCEINUCIWNZLHM-UHFFFAOYSA-N 417.453 1.697 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CC(=O)OC)c(F)c1)c1cc[nH]n1 1557073210 GJWUKKCGDZJGSS-UHFFFAOYSA-N 406.370 1.187 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1557138921 HSTQTYLYCMEMCX-HNNXBMFYSA-N 404.467 1.714 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCOCC1 1557580184 STXFCGYDWGUVDC-HNNXBMFYSA-N 405.303 1.816 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1558329016 JAIFUZRTQWBJOE-DOTOQJQBSA-N 402.882 1.759 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2sc(C(=O)OCC)c(C)c2C(=O)OCC)CC1 1560026875 JGYFJNASIIUMNH-UHFFFAOYSA-N 422.503 1.809 30 10 HDEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCOCC1)C1CCN(C)CC1 1565079925 VDWOYEWZIMRUFI-UHFFFAOYSA-N 408.543 1.799 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@@H](CN3CCOCC3)C2)cc1OC 1586248564 NEMDLGUALZQMOI-XZXOBPBMSA-N 402.491 1.833 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2=O)n1 1586913213 BGDQWNWBHDFTMS-UHFFFAOYSA-N 417.473 1.402 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1587807370 BUWVDYLTNPBLIT-MRXNPFEDSA-N 409.556 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCCS1(=O)=O 1587957525 GRRKHXHSFOKCEY-HNNXBMFYSA-N 402.476 1.711 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cccn2)cc1 1588074091 IOPJJMAKCOLLMB-UHFFFAOYSA-N 413.485 1.821 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(C(N)=O)CCCC1 1589142550 JUVSFLOKQYUXRB-OAQYLSRUSA-N 421.505 1.963 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(C(N)=O)n(-c4ccccc4)n3)C2)nc1 1596978830 SMRPIHWVIXCBTI-MRXNPFEDSA-N 415.457 1.955 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1597509794 QTYSHLHCOVPOSD-JOCHJYFZSA-N 422.485 1.510 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1csc(C(C)(C)C)n1)c1cc[nH]n1 1598326009 KRYSCCCYAGDOGJ-UHFFFAOYSA-N 407.496 1.806 30 10 HDEE N#Cc1cn(CCC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)c(=O)nc1O 1610983346 GFGGBWADSBOJNK-UHFFFAOYSA-N 402.838 1.686 30 10 HDEE Cc1nn(C)c(C)c1CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612458702 MKQKKUGIRQNNAD-CZIZESTLSA-N 424.509 1.669 30 10 HDEE CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H]1C 1615865282 HXRWYVPPENJNKL-CABCVRRESA-N 418.523 1.224 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1616124057 BMVYOUKNXUHBTA-IFXJQAMLSA-N 400.487 1.255 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1618632485 BFBIEQKNNCBPQB-QGZVFWFLSA-N 419.493 1.448 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1 1619922699 JSIVPKDLKMOFBS-OAQYLSRUSA-N 411.462 1.773 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 1625039239 HNEPTHWNUQAMBP-UHFFFAOYSA-N 400.395 1.195 30 10 HDEE C=CC[C@@]1(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1626039528 IRVOOCQDMKTVLP-IBGZPJMESA-N 415.556 1.872 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1626098540 LBEQEPCPJHQXMS-QGZVFWFLSA-N 423.535 1.820 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)co1 1626475467 QIKHAVDIAGKTDS-UHFFFAOYSA-N 416.459 1.582 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1629571115 DGWFZCXTCVRGGF-KRWDZBQOSA-N 422.570 1.859 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1631483528 WRKWVJVYGFZHCI-ROUUACIJSA-N 424.519 1.520 30 10 HDEE CCc1ncc2c(n1)C[C@H]1CC[C@H]2N1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1632803413 FKBNHFXSEDXRIS-RDTXWAMCSA-N 411.487 1.477 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)C1 1634554534 CJZKLCGQHKDCBA-SFHVURJKSA-N 402.454 1.705 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CC[C@](O)(CC#N)C3)c2)C1=O 1635181460 FSHGGMZMEHNGTJ-NHCUHLMSSA-N 411.462 1.472 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1635213155 RBSSMAUTHFRPFY-HNNXBMFYSA-N 415.515 1.929 30 10 HDEE CSCC[C@@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1635906123 YAEBYDAHGBZARG-BBWFWOEESA-N 406.552 1.341 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(C(=O)CC(C)C)CC2)c1 1636125073 NHSMQFYBCHYWDB-UHFFFAOYSA-N 405.520 1.319 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(-c3nncnn3)cc2)CCN1Cc1ccccc1 1636610866 ZAZFVIVKBJNDCJ-FQEVSTJZSA-N 414.473 1.853 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCC#C[C@@H]2CCCCO2)cc1OC 1637186546 WFKSRVIPJDWGAQ-PGRDOPGGSA-N 402.491 1.830 30 10 HDEE C[C@@]1(C[C@@H]2CCCN2C(=O)Cc2ccc(Br)cc2C#N)NC(=O)NC1=O 1640484297 YIUFIDXGJVHAEU-KSSFIOAISA-N 419.279 1.842 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1643999892 CEJXCTXORHUZHN-CQSZACIVSA-N 403.464 1.116 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CNS(C)(=O)=O)c1 1644061763 UDSGENVSSNTPAI-UHFFFAOYSA-N 423.516 1.452 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CCc1ccc2c(c1)OCO2 1645531830 NLXTUBFKSLDGPV-AWEZNQCLSA-N 415.471 1.655 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1645711082 BUUFVQVAVSALIF-XJKSGUPXSA-N 417.491 1.398 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3ccc(N4CCCCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1648500579 ROFYGRKAVFIYLG-LAUBAEHRSA-N 416.547 1.876 30 10 HDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCC1 1652398863 WWSNZCYMMKSFJO-BZUAXINKSA-N 410.536 1.719 30 10 HDEE N#CC1(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCOCC1 1653633962 BPYAFXZXMLGMRA-UHFFFAOYSA-N 415.309 1.800 30 10 HDEE C#CCCCS(=O)(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1655558864 ZCFLCUWVHVCFQO-INIZCTEOSA-N 411.528 1.683 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1656233812 FWANSVQRWJAYIY-SECBINFHSA-N 408.245 1.691 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CS[C@@H]2CCCS(=O)(=O)C2)CC1 1656944442 QASWHNRWZJEPGC-HUUCEWRRSA-N 413.590 1.767 30 10 HDEE C#CCSCCNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1660359025 MWZYEKWIDYRDIM-UHFFFAOYSA-N 405.299 1.145 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F 1662964950 LISBXUBEHHMCLN-VWLOTQADSA-N 404.485 1.804 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)nn1 1663556017 PGGIYVDWRYBGMV-CQSZACIVSA-N 410.471 1.887 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](C(N)=O)CC2)ccc1Br 1664546266 HZAGXUSYRASDHF-XYPYZODXSA-N 400.298 1.891 30 10 HDEE CC(C)(C)OC(=O)NCCC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 1664792822 FMXSOEZXAOCZRW-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1670893393 JCAYAUHFIAEFBE-HNNXBMFYSA-N 400.884 1.592 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 1681516235 PYMDCHOVXMAYTE-RYRKJORJSA-N 416.503 1.130 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(F)cc1 1683664520 PZONPVRLZBDYSU-QZTJIDSGSA-N 409.483 1.336 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)C1 1684029215 CJXYXEXAITZWNY-CQSZACIVSA-N 418.498 1.104 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1684424990 IQLWGIZSDWTWER-INIZCTEOSA-N 405.495 1.972 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1689926420 PHNNXQNTHPUWBG-UHFFFAOYSA-N 424.530 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1690022665 OAHIVCXYHAZMTO-PMACEKPBSA-N 406.534 1.836 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1690668896 MYRNDKQMEYWKHV-HNNXBMFYSA-N 421.505 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCCC2)C1 1690723369 PFPFKPLCRZXTDK-OAHLLOKOSA-N 407.540 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCOC[C@H]1C 1690729159 HQLKOWQNWVEXGG-QGZVFWFLSA-N 420.535 1.991 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1691005774 FBKJNZNWAWFAEW-HNNXBMFYSA-N 402.524 1.685 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1697782906 XEMSITNBIVYLPJ-DLBZAZTESA-N 421.498 1.673 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705567715 ZUBOVSOIHQVYAM-DOTOQJQBSA-N 403.508 1.325 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1705583178 RWRHSYMVYGGCSO-GOSISDBHSA-N 409.465 1.353 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1c[nH]nc1C 1705590018 YRXSRVUJDHRUSR-INIZCTEOSA-N 417.539 1.016 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ncccc2F)CC1 1705637522 AUBSMUUTPNDLJY-UHFFFAOYSA-N 410.457 1.047 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(OC)CCOC2)CC1 1705646343 WWGPJLZUBJVSHM-HSZRJFAPSA-N 423.517 1.716 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](C)C1 1705698261 RLWLNUAYWMYEIH-NNXHMXCWSA-N 411.572 1.962 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 1705781437 ZMAOILAVVWMTDG-GUYCJALGSA-N 415.585 1.159 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705819926 XCWXPMHBSRUOKF-GOSISDBHSA-N 402.543 1.493 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1705895004 QNAKOJPPXFIKAI-UHFFFAOYSA-N 418.527 1.410 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1706062550 WROJXSOHXWIGNC-UHFFFAOYSA-N 407.522 1.955 30 10 HDEE CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1708691173 BHYHPXPOLMPXPC-ROUUACIJSA-N 400.531 1.774 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)c1ccco1 1709141963 LGSIJWQAUKBWQR-UHFFFAOYSA-N 420.477 1.457 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1709279093 RGIFOCKHSSRCKE-OFGXNVERSA-N 413.482 1.134 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1O 1711463169 UTMXPWWGKHMYSJ-RDTXWAMCSA-N 422.445 1.137 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1OC 1711843471 CPTQQHPKCGIBBA-JLTOFOAXSA-N 414.441 1.737 30 10 HDEE COCC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712266228 OAQAEUBESXHVHF-CZIZESTLSA-N 414.510 1.935 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1F 1722390781 UUFIGLRYSMBYTN-OAHLLOKOSA-N 403.483 1.539 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCCCCO)CC1 1722444691 DKOJAXSEMQKFRP-UHFFFAOYSA-N 412.538 1.802 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722622747 SKOMXMRXDDBKQK-UHFFFAOYSA-N 406.531 1.167 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1722701553 UODYTYGXMHFKCU-KRWDZBQOSA-N 410.522 1.423 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(n3ccc([N+](=O)[O-])n3)CC2)nnc1C(C)(C)C 1722703514 AVCMTRBITBGKGB-UHFFFAOYSA-N 416.486 1.824 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cncn1 1723025330 BMXFXCGRGOZHKC-CLCXKQKWSA-N 402.478 1.930 30 10 HDEE CC(C)COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1723524496 LKHXXSDSZUMREV-YOEHRIQHSA-N 416.523 1.393 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCO[C@@H]2CCOC2)n1 1725931494 VWSCBRGWOCBJFV-CRAIPNDOSA-N 401.515 1.931 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1729698151 CKBCVSFZZSCVKL-LJAQVGFWSA-N 414.535 1.690 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C(=O)C1 1735533892 LZYAUWCFOWPRGN-OQPDCJGNSA-N 401.507 1.038 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740578821 HHOHKBBBTDIQDA-GOSISDBHSA-N 412.538 1.670 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740621481 MBEAUELYUKGHOU-CVEARBPZSA-N 419.576 1.663 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN1CCc2ccccc2C1 1740641319 HKECIXUXWTWJRI-UHFFFAOYSA-N 416.529 1.532 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)NC(C)C)CC1 1740697647 BDXZUKLGALOEER-UHFFFAOYSA-N 419.533 1.630 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(OCC(N)=O)CC1 1740760310 HXKIQONDJMVYMA-QFBILLFUSA-N 403.527 1.998 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740801750 FZZIGLFKQBRJSJ-KBPBESRZSA-N 417.963 1.772 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CC1 1740825337 MRJZCTLZWGYTNE-MRXNPFEDSA-N 421.567 1.786 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1741699296 OGFZFQWHVZFQHN-OAQYLSRUSA-N 407.478 1.058 30 10 HDEE COC(=O)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1748314324 NAYBHZKOBIQKCM-VLGSPTGOSA-N 416.482 1.317 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748766400 OZSUDQKKZBXNGF-IRXDYDNUSA-N 411.510 1.494 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1ccnc1C 1748779762 VHZWUJNCRYSLAE-UHFFFAOYSA-N 402.466 1.585 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1748824602 RMXVAIKUHUTTSW-JKSUJKDBSA-N 404.492 1.706 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749285612 QKDOAAJQVFYITM-OAHLLOKOSA-N 416.507 1.517 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1749650548 BBMKBHNJVFEQFR-UHFFFAOYSA-N 410.522 1.727 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749658988 QPBWSXAJNZBPIJ-INIZCTEOSA-N 410.522 1.856 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749664373 LPEOXHPAEXIVIF-OAHLLOKOSA-N 403.508 1.179 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)CC)C1 1749693660 LIRRJJDMJXEABJ-YWZLYKJASA-N 400.483 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC(C)(C)[C@H]1C 1749729816 SOVFCIDJRQSKPG-OAHLLOKOSA-N 405.524 1.945 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCCO1 1752355507 UHMQJXCQZWJFIQ-ZIAGYGMSSA-N 405.480 1.308 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1760224552 OTQPZKKZVXDKSF-UHFFFAOYSA-N 419.493 1.751 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCOCC)CC1 1760252592 RZGYESOUYYCICH-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1760294805 GXSREFOXCNTFSM-JXXFODFXSA-N 421.567 1.477 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1760324570 LEDYYHNCVYJBIQ-NQIIRXRSSA-N 410.522 1.914 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760469166 WGWMBOOMHUPKBO-YESZJQIVSA-N 409.556 1.956 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC)C1CC1 1760473510 XQKLTINURFYKAU-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE CCc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764805861 MIVDVNCUKWNNMW-SKQREZPOSA-N 414.510 1.762 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1767121521 QILRHLRUGVKRAZ-KDDVOAFDSA-N 423.477 1.687 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1770144390 ADBFQEUDIDCGPX-UHFFFAOYSA-N 419.507 1.105 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c(OC)c1 1849397947 JMWUVBPVZDEOSB-UHFFFAOYSA-N 421.519 1.867 30 10 HDEE N#CCc1ccc(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)nc1 1851895354 IIIXURGCOMLROQ-UHFFFAOYSA-N 414.263 1.903 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(c4nccc(C#N)n4)CC3)C2)cc1 1853232427 YDSYVWSDMWAZSV-SFHVURJKSA-N 412.519 1.242 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cccc(OC)c2OC)C1=O 1854186593 RLARVLRMMSKRPQ-HOTGVXAUSA-N 401.463 1.164 30 10 HDEE COC1CCN(C2CN([C@@H]3CCCCN(C(=O)c4ccnc(C#N)c4)C3=O)C2)CC1 1854235921 WGNPGVUSBMERID-HXUWFJFHSA-N 411.506 1.270 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CC(c4nc(C5CC5)no4)C3)CC2=O)cc1 1854269124 UCCLMXDEBHMTNR-INIZCTEOSA-N 405.458 1.836 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CCN1CCCC#N 1854282038 ZRFCPRXVBHUCPY-GJZGRUSLSA-N 408.499 1.721 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O)c1ccc(Br)cc1 1854485548 OILMKBGYBAQZJZ-LLVKDONJSA-N 414.281 1.077 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@H]3CCCN(c4cnn(C)c(=O)c4)C3)C2=O)CC1 1854704057 XTLWGZHBJNQOJD-HKUYNNGSSA-N 413.522 1.166 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCSc4ncccc43)C2=O)CC1=O 1854981010 VNGIJDGIGXMVGY-GDBMZVCRSA-N 400.504 1.546 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)c3cnc4sc(C)cn4c3=O)C2)CC1 1855076098 YWHBZOUZXNNBKP-OAHLLOKOSA-N 400.504 1.951 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3nccnc3N3CCOCC3)C2)CC1 1855163215 KRAKDNGJXUASJQ-SFHVURJKSA-N 413.522 1.734 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855252934 JDTULKMJFIRIOM-SFHVURJKSA-N 411.568 1.606 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC(Cn4nccn4)CC3)CC2=O)cc1C#N 1856170955 XLZWGJLVKPEFSE-SFHVURJKSA-N 406.490 1.859 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cn3nnc4ccccc43)C(=O)C2)cc1 1856300526 FGXPNGYCMBIJHW-UHFFFAOYSA-N 404.430 1.053 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN([C@H]4CCN(C)C4=O)CC3)CC2=O)cc1C#N 1856315208 AVISTNDLHVLISE-PMACEKPBSA-N 408.502 1.798 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)C1=O 1856417495 ACMFZTGMDDMVSX-CYBMUJFWSA-N 406.368 1.873 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)c1 1856463178 CTVSYAHOTRVJEI-IBGZPJMESA-N 415.515 1.731 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccnc2OC)C1)[C@@H]1CCN(C)C1=O 1857068071 LWETWGUTPNFNJU-DOTOQJQBSA-N 400.479 1.188 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1857208226 PYRKEDMNSFHJHA-HNNXBMFYSA-N 416.913 1.567 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)CC1 1857224208 ZXOPIJKOJQHUKO-DOTOQJQBSA-N 402.495 1.466 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N=C3CCN(C)C(=O)N3)CC2=O)cc1OC 1865922886 VVCZSDILWDOTJN-AWEZNQCLSA-N 402.451 1.065 30 10 HDEE C#Cc1cccc(NC(=O)[C@@H](CCS(C)(=O)=O)N2C(=O)c3ccccc3C2=O)c1 1865988277 IVTUWIXCFSBLED-GOSISDBHSA-N 410.451 1.706 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCCCCC2)cn1CCO 1870498921 WJOVSPXFOVBBGD-UHFFFAOYSA-N 403.523 1.796 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1C[C@H]1CCCO1 1870521205 JGSAHNOBSYQYJI-LJQANCHMSA-N 419.522 1.343 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(F)c1 1882496860 BNPLZMZJFWHTCF-KRWDZBQOSA-N 420.418 1.992 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 1890688856 IXMVXWMDNKOWPW-UHFFFAOYSA-N 403.438 1.553 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891716995 UHPAAYFRTFDJTC-MRXNPFEDSA-N 416.421 1.719 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CC(COc3cccnc3C#N)C2)cc1 1892074520 BVNIQSGHBMUMLK-UHFFFAOYSA-N 402.432 1.831 30 10 HDEE C=CCC[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2029231779 ZGQAIPQBXYPDAM-INIZCTEOSA-N 408.476 1.792 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2ccc(Br)nn2n1 2060539772 WLBPFIIKHRWBHM-VIFPVBQESA-N 409.244 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1cc(C#N)ccc1Cl 2124712144 ANLHLHIBJFIRMY-MRXNPFEDSA-N 403.888 1.766 30 10 HDEE COC(=O)CCS(=O)(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157020350 PDFDMSHZMIQMRY-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)CO1 2174779000 DPSVWWIUKXJWBF-HUUCEWRRSA-N 401.529 1.920 30 10 HDEE COC(=O)[C@@H](C)CS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2183617303 AAYQIZLSPCTEAR-NSHDSACASA-N 403.331 1.276 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@H]2[C@@H](CO)N(C(=O)OC(C)(C)C)C[C@H]2C1 2211150927 HFOZLPZKLOWXIG-BZUAXINKSA-N 423.510 1.201 30 10 HDEE CCS(=O)(=O)N1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2235420956 LMONNBJHQRQSAY-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243384094 JXDXCLFSIVUGMQ-UHFFFAOYSA-N 408.308 1.744 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384775 WEXLQJTVNJOQND-NEPJUHHUSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243428659 OYVQODLCGPTPPQ-OKILXGFUSA-N 410.320 1.957 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247836514 DADNSMBUADFDDX-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469517 WXAZHTPNAXGEIP-NWDGAFQWSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@@H]3CO)sc2Cl)OC1(C)C 2281963360 KPYIFTMCGJAUHC-CMPLNLGQSA-N 401.721 1.828 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCS(N)(=O)=O)c1C 2281993558 CXSAOLBKCIJHQC-UHFFFAOYSA-N 402.347 1.073 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN(C)[C@H]1C 2282310520 VJMFHUOJPMFPDR-AAEUAGOBSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3O)cc2Cl)OC1(C)C 2282311333 HDKOYJFQNNKYOW-MNOVXSKESA-N 423.749 1.129 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314323 XVNKFKUDVNJATD-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N2CCS[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314902 GVUQPNVXPZSVIW-GFCCVEGCSA-N 419.399 1.454 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282324649 SDWYFTRVZCEFJF-CMPLNLGQSA-N 421.415 1.746 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=S3(=O)CCC(N)CC3)s2)OC1(C)C 2282336682 AVYYCYDGLNPEQK-UHFFFAOYSA-N 420.387 1.325 30 10 HDEE C[C@@H]1CC[C@H](CO)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282416187 RSOANFVEVLAHNQ-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CC[C@H](CCO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505136 ZFSVANYJRZAIBB-CYBMUJFWSA-N 403.375 1.875 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCC2CNC2)OC1(C)C 2282507855 NBYNVTCIULIFII-UHFFFAOYSA-N 400.737 1.527 30 10 HDEE CN(CCCCCN)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282508099 QVUGHWZCCAYJCX-UHFFFAOYSA-N 402.391 1.938 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282841444 ODCCOOPMCYJRBI-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CC(C)NCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842817 DHNFVLSEQZXDJJ-UHFFFAOYSA-N 403.379 1.250 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCC[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282870989 ACHIOQXPWSETTB-RUZDIDTESA-N 421.415 1.711 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@](F)(CO)C2)OC1(C)C 2282882738 PYXZZLOEIVKMSL-MRXNPFEDSA-N 405.322 1.283 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2C[C@@H]2C(=O)O)OC1(C)C 2284403573 RCOIEUHKVUEPEC-JOYOIKCWSA-N 401.677 1.391 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284407209 IQBUDWIRDZYVRX-LLVKDONJSA-N 421.371 1.532 30 10 HDEE CS[C@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284415313 WVJIVDGRWWRTDK-SKDRFNHKSA-N 421.371 1.530 30 10 HDEE COc1cccc(C=C2Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)c1 2297473312 MQAZBFQBSCFAJI-INIZCTEOSA-N 413.382 1.252 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCn2ncc(Br)n2)[nH]1 2337030523 SBRUXLDYTIZWIH-UHFFFAOYSA-N 408.109 1.577 30 10 HDEE C#Cc1ccccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2339917641 HPSWLDMVIBOXBV-SFHVURJKSA-N 416.455 1.878 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)[C@@H](O)[C@H]3CF)c2Cl)OC1(C)C 2359266529 GDUYTEQJYUMHLQ-FOGDFJRCSA-N 405.684 1.216 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2[C@@H]3CCCO[C@@H]32)OC1(C)C 2359277262 ZABGRCUNDXLFOR-DRZSPHRISA-N 400.331 1.039 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@H](O)c1cc(I)nn1C 2363678443 UYVLXPNACFJEHC-ZANVPECISA-N 402.261 1.463 30 10 HDEE CCN[C@H](C#Cc1cnn(C)c1)[C@@H](O)c1ncc(I)s1 2366154000 WTHJHRQJNWMGEW-ZYHUDNBSSA-N 402.261 1.544 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2367791868 KPFUMZYIZJJBGV-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE COC1([C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367791913 ZZQRHCFXFIYTHD-CABCVRRESA-N 400.541 1.747 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CN(C(=O)OC(C)(C)C)C1 2367834436 RMFMGEDDGNIJBJ-HNNXBMFYSA-N 400.541 1.307 30 10 HDEE C#CCOCCCCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2370338035 HNLDMDXXPUVJHG-OAHLLOKOSA-N 404.529 1.251 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 27901409 PBIPNCVDBFCNNG-UHFFFAOYSA-N 421.545 1.703 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN([C@H](C)C(=O)NC2CC2)CC1 28139984 APCOFGCIRQHTSP-KGLIPLIRSA-N 415.563 1.720 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)[C@H](CC)Oc4ccc(N)nc43)cc21 96497255 PPZRCBIRSSECIJ-INIZCTEOSA-N 422.441 1.962 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 111215450 ZCWKAFJGYCBEFR-URZUPRTMSA-N 416.547 1.833 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 409573315 JXAXKMRYKVFBHZ-ZDUSSCGKSA-N 416.345 1.692 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1=O 410106403 QGAZQGJWXQCIPQ-CABCVRRESA-N 411.549 1.537 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 465014192 RSMXCOYJRSFRGO-DLBZAZTESA-N 421.505 1.856 30 10 HDEE N#Cc1ccc(OCCNC(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 466105754 WJVXMFWQEHAYAZ-UHFFFAOYSA-N 414.487 1.994 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 468310643 YTJFXKOBXHNCPY-QFIPXVFZSA-N 408.458 1.348 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2C)CC1 472659749 LYPIRHWVOVJROZ-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)nc1 497475143 PUUSYIVDXCCSJL-UHFFFAOYSA-N 424.530 1.121 30 10 HDEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508481378 QEVMRZUIELSSOA-RBUKOAKNSA-N 404.559 1.199 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508787815 ADWZIZQHVQJULS-GJZGRUSLSA-N 409.556 1.497 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 508803828 ZJUXEHILLDCNBH-KRWDZBQOSA-N 422.493 1.830 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 508920034 IMCNMONMZVGESR-MRXNPFEDSA-N 404.540 1.893 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 517764510 YKBZYSVKGMLYRK-PKOBYXMFSA-N 422.522 1.809 30 10 HDEE COc1ccc(CN2C(=O)N[C@](C)(c3ccc(-n4cnnn4)cc3)C2=O)cc1C#N 533009993 FBJNYDBTSVFNSE-HXUWFJFHSA-N 403.402 1.510 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCCN1CCOCC1 539675029 OLVXRYFNHMTTIU-FXAWDEMLSA-N 412.534 1.835 30 10 HDEE Cc1nc(C(=O)NCc2cc(F)c(C#N)c(F)c2)nn1-c1n[nH]c(C(F)(F)F)n1 549727263 AHIZVMGYYNDKLJ-UHFFFAOYSA-N 412.282 1.793 30 10 HDEE Cc1ccc([C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)N2CCOCC2)o1 554797926 NOBKFCFQNYIMOE-IBGZPJMESA-N 403.504 1.897 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccc(OC)n2)CC1 559025939 JBTIIWDXRUROHJ-INIZCTEOSA-N 417.514 1.703 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 561990980 SFVMXBNMPBUYRI-UHFFFAOYSA-N 404.536 1.829 30 10 HDEE Cn1ccnc(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)c1=O 569914164 VJSIOCRNLBCSCB-UHFFFAOYSA-N 424.480 1.356 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1)CC2 570499777 NWXUTKKSOPYBQM-UHFFFAOYSA-N 408.380 1.507 30 10 HDEE N#Cc1cc(I)c(OCC2(O)CCOCC2)c([N+](=O)[O-])c1 572464908 NXIRBTZYDUQFLA-UHFFFAOYSA-N 404.160 1.991 30 10 HDEE COc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1Cl 573986379 CFAFRNGZIPZTLN-UHFFFAOYSA-N 420.878 1.762 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2Br)CC1 576538992 QHGILXYDDIUZSL-UHFFFAOYSA-N 416.341 1.199 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 581517050 MERSZJMXVIDXHK-KGLIPLIRSA-N 403.574 1.375 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc(N2CCCC2)n1 585477687 UJEDUAFBSWQZSE-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE CCOc1ccc(/C=C/C(=O)N[C@@H]2CCN[C@@H](C(=O)/C=C/C(=O)O)C2)cc1OC 585833533 DFBDRNBANRVHHT-QSJWGAFHSA-N 402.447 1.554 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 588154576 WFZGQEVZHNLCTL-CQSZACIVSA-N 417.494 1.622 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 609287383 GTWXMCQLNCKJTJ-GUDVDZBRSA-N 417.531 1.626 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 609743810 LEKXMXPKZZFPDC-OAHLLOKOSA-N 401.448 1.901 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCCC(=O)OC)C1=O 726401154 NPBGKZHUGLDACQ-AWEZNQCLSA-N 420.491 1.196 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOC1=O 728276420 MJGDSRMHAVLMJP-OAHLLOKOSA-N 422.507 1.098 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 728409586 PQQFAGBYIWUCIS-UHFFFAOYSA-N 406.485 1.541 30 10 HDEE CCCS(=O)(=O)Nc1ccccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732153085 FJEYAADBICJQMF-VLGSPTGOSA-N 406.464 1.095 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 732465123 CNXAXAOAXKXYEJ-PHODEOQFSA-N 417.853 1.271 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)ccc2F)c1=O 735069661 YZZUCIPJNRGUIT-UHFFFAOYSA-N 400.475 1.876 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)cc1C#N 747498803 TVCNFFZXQJNUNU-UHFFFAOYSA-N 424.413 1.787 30 10 HDEE C[C@@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 752612147 BBKXFUFTLOKIOY-OAHLLOKOSA-N 421.519 1.926 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccnc(-n4ccnc4)c3)C2=O)cc1 753446417 MUNOFXOICJBAQV-LJQANCHMSA-N 415.457 1.739 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 757599187 XXUACZSNPSPAFM-ZBFHGGJFSA-N 407.492 1.969 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760401143 SPJZCBDFMUVJCV-KBPBESRZSA-N 401.554 1.854 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2ccc(Cl)cc2)n1 768068509 MULUJZUMPCPGCF-KRWDZBQOSA-N 412.881 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 772740984 LVPFUGBZMHAZNG-MJWGMMHASA-N 418.494 1.903 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 774237465 SVYYWNFZAKMYJZ-YZGWKJHDSA-N 403.548 1.729 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 780206124 QEWOXZSEPVDQCX-ZLGUVYLKSA-N 407.470 1.914 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 780940409 NVZWKCSWQFVBLT-RXVVDRJESA-N 422.489 1.003 30 10 HDEE CN(CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1)C1CCN(c2cnccn2)CC1 789372681 XHBSQUIHPXASAF-KRWDZBQOSA-N 417.473 1.902 30 10 HDEE C[C@H](NC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 798739959 GKFXWFKTSIWKNG-QWRGUYRKSA-N 406.240 1.894 30 10 HDEE COC(=O)C1=C(COC(=O)c2cc(C#N)ccn2)N(C)C(=O)N[C@H]1c1ccccc1 803848789 JIOCXSYMNSMTIV-SFHVURJKSA-N 406.398 1.933 30 10 HDEE CC(C)N(CC(=O)N1CCCCCC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806781803 RRINLZXFMCCQFT-VHEBQXMUSA-N 405.499 1.335 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cc(Br)cn3C)n2C)CC1 809810842 PABCLBVNWNFCQI-UHFFFAOYSA-N 405.300 1.549 30 10 HDEE CN1/C(=C\C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)C(C)(C)c2ccccc21 810091251 MHFOCQJZELYWTG-HKWRFOASSA-N 420.579 1.681 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CCc3nncn3CC2)c1 1125419210 SJVHSADPCVIPFR-SFHVURJKSA-N 407.474 1.104 30 10 HDEE COc1cc(CN2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc(OC)c1OC 1126629452 KUEJCINCHPAZFS-NRFANRHFSA-N 403.479 1.677 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c2ccccc2n(C)c1=O 1127138200 DUWLJPFJEKEVSA-CQSZACIVSA-N 402.458 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CC[C@@](O)(CC#N)C3)nn2)C1 1143195236 AERSLDLYTXEULA-KUHUBIRLSA-N 404.471 1.341 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)C1 1143719958 JXIRMNMMWZGGIC-HXUWFJFHSA-N 417.469 1.961 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(F)c1 1147645809 SAITVFRRFXNCPD-UHFFFAOYSA-N 402.470 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2cccc(CC#N)n2)C1 1153246331 WXYOPFCACFOELM-CQSZACIVSA-N 408.480 1.510 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)ccc1F 1161652710 NWKQIFSNNAQUCA-GOSISDBHSA-N 419.434 1.767 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1=NO[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1171919974 QVDKOGFNYNVEAZ-LJQANCHMSA-N 408.455 1.448 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)NCC#C[C@@H]2CCCCO2)cc1 1180363522 XSRFXYSNBBKQJG-IBGZPJMESA-N 420.531 1.979 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1191582566 FILKLBORZDUOBT-VJANTYMQSA-N 424.519 1.533 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)cn1 1212445819 RYDTYFVBXZRPTA-UHFFFAOYSA-N 410.521 1.025 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](F)COC 1286408706 KEKVUNAAWIXGQN-INIZCTEOSA-N 422.464 1.732 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCCN(C(C)=O)C2)n1 1286469857 LQIPPTYMCZMLHT-LJQANCHMSA-N 413.526 1.328 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1286772308 AVVSNVBIHICZOH-KRWDZBQOSA-N 422.493 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286821434 KXAKZJAZLJJOQK-VQIMIIECSA-N 412.556 1.462 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1288701499 ZIVXGWYGDWONAD-QGZVFWFLSA-N 406.486 1.628 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1289084794 DXUCBNKORPSQMY-MRXNPFEDSA-N 423.477 1.734 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](COC)OC 1292083380 DUULOPTZXXBSJS-JXFKEZNVSA-N 406.531 1.988 30 10 HDEE C#CCN1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1293715734 LHQIZHMSCQMZLM-KRWDZBQOSA-N 402.882 1.713 30 10 HDEE C#C[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)[C@@H]1CCCO1 1296699694 HFRAEJMTLWKFNV-IRXDYDNUSA-N 413.478 1.707 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1SCCc2ccccc21 1300430424 MJCGQNGLJGTKQT-YOEHRIQHSA-N 419.576 1.988 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1300538646 TWKZXJVEPAYHDU-GOSISDBHSA-N 416.547 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300587303 RJJXZYIHUUPWSY-HXUWFJFHSA-N 420.517 1.222 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1300600982 CHRXRNZSVQERAD-HOTGVXAUSA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1300618542 IACVGOBRKOFTGC-UHFFFAOYSA-N 417.477 1.426 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1300883912 GAUWEUVSMXZLGE-GJYPPUQNSA-N 416.526 1.269 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H]2C)C1 1301567655 XWXKQGRXAIXXDL-ZWKOTPCHSA-N 402.543 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301586445 GXEAQCRGDXOKHB-JKSUJKDBSA-N 409.556 1.134 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1301609262 GLJGDFNAIXLTJH-CYBMUJFWSA-N 402.480 1.654 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OC 1303688679 ZFKXIJDWYCQBTL-HNNXBMFYSA-N 406.460 1.621 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1305222277 JVXZVSNHTCEBOE-YJBOKZPZSA-N 414.535 1.534 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1306198539 MRLFTOUCRHFQSF-INIZCTEOSA-N 408.510 1.348 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1306436906 PXBRXRAADCJQKB-QLFBSQMISA-N 419.507 1.697 30 10 HDEE COC(=O)CCNC(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1310006135 CJLIQZCOESGFEL-UHFFFAOYSA-N 416.434 1.290 30 10 HDEE Cn1cc(I)c(CNC(=O)NCCc2ccc(C#N)cc2)n1 1312688650 LXBZNRBWAWVOAX-UHFFFAOYSA-N 409.231 1.938 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC=CCC1 1314740834 CMJDXCHJBUQWHA-LJQANCHMSA-N 405.506 1.999 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)OC 1316293999 NNJJECFCFPGQSU-FZCLSBEQSA-N 404.515 1.214 30 10 HDEE C#CCN(C(=O)c1cc(OC)cc(Br)c1OC)[C@@H]1CCS(=O)(=O)C1 1319033523 BQKRNZXNALMEQI-LLVKDONJSA-N 416.293 1.729 30 10 HDEE C#CCO[C@@H](C)C(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1339635376 JOGGADYFHNXART-ICQHIFQISA-N 400.450 1.520 30 10 HDEE CCCCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1354361084 ZELQPQLPBTZLAY-MNDPQUGUSA-N 415.537 1.653 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1358872353 SVRLYDAYNNYEIR-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1358889847 HNKARLIFKOKNEG-GVDBMIGSSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1358908587 BZFDTRMIVBRRPM-RTBURBONSA-N 407.474 1.980 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)CCCN2C)[C@@H]1CCS(=O)(=O)C1 1358957455 UWMZIVIGZDEGGN-LJQANCHMSA-N 413.547 1.644 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359038034 IEFZYRWBCVFMEL-JTSKRJEESA-N 411.554 1.446 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCN2CCOC2=O)CC1 1359044507 HZUSROPOAWRVNM-UHFFFAOYSA-N 414.510 1.354 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CC)n1CC1(O)CCS(=O)(=O)CC1 1359259549 ZLXXAFUTWQDGGC-UHFFFAOYSA-N 404.536 1.973 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1(c2ccccc2)CC1 1359299226 ZALUVGXIHVWAGI-KRWDZBQOSA-N 408.506 1.699 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC1CCC1)CC1CC1 1359300836 KXBLOCADNZXVPM-KRWDZBQOSA-N 421.567 1.499 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359304693 GLSPOTWIWNRXLE-INIZCTEOSA-N 412.494 1.135 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 1359310178 OTNGBWUEJMWQSS-MRXNPFEDSA-N 415.519 1.411 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nnn(C)n2)C1 1359324882 UCGDYKUHYLUWTK-KRWDZBQOSA-N 410.482 1.519 30 10 HDEE Cc1cc([C@](C)(O)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1360998673 GOHFNYMTGWMHKZ-OXJNMPFZSA-N 411.466 1.525 30 10 HDEE CCO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCC1 1441008120 GPZUIXRTXACBHE-IBGZPJMESA-N 405.520 1.986 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1)C(=O)OC 1448492672 GERWESXMROANQH-GOEBONIOSA-N 421.519 1.659 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](CN(C)C)[C@H](CN(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1454699959 CUKMROVXDRUZGX-QZTJIDSGSA-N 408.587 1.997 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1 1455705278 PDPRZXMRNIEDRH-KRWDZBQOSA-N 407.511 1.828 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)nc1 1456966855 JGRNFZWHZTTWTG-IUODEOHRSA-N 402.398 1.333 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)NCCn2cnc(C#N)n2)(C(F)(F)F)CC1 1459889910 OEALWGLQZADSQO-UHFFFAOYSA-N 416.404 1.846 30 10 HDEE CO[C@@H]1C[C@H]2CN(C[C@@H](O)COc3ccc(CC#N)cc3)Cc3cccnc3N2C1 1460622838 XITYRGMSUMJHOI-TUNNFDKTSA-N 408.502 1.997 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1462157460 SQALKTNHLFCVBX-ZDUSSCGKSA-N 406.863 1.880 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2COc3ccc(O)cc3O2)nn(-c2ccccc2)c1N 1464069939 YIVIYBFJEALQJU-FQEVSTJZSA-N 419.441 1.921 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)cc1 1464352283 CBUOQMDWMWKAIB-UHFFFAOYSA-N 405.501 1.981 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)c1 1471621593 UFOWQSGFOBLIFI-GOSISDBHSA-N 418.471 1.501 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)s1 1471963777 LVZJUZKTMAPXLZ-UHFFFAOYSA-N 419.532 1.886 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1nccn1C)C(F)(F)F 1472438302 KXUQLTOFZHPQTC-ZWNOBZJWSA-N 415.397 1.378 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)C1 1478621796 BJRUXRYXVRWVEC-FDDCHVKYSA-N 423.517 1.808 30 10 HDEE CO[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504488969 CUWZAFJPOCYZNE-KOFUXLBCSA-N 416.482 1.271 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(OC)C1CC1 1505082006 LKELTKHUJITFMD-VERUCKTNSA-N 405.499 1.546 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1505323192 DLPWGFBOVFMAHF-GOSISDBHSA-N 410.478 1.485 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1507511830 AIHWMEMDUQOWEX-HUUCEWRRSA-N 409.556 1.479 30 10 HDEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507578782 AYWPWOXADQXDFE-OALUTQOASA-N 420.517 1.380 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1507592761 YHJVZULTTWYFOE-IAGOWNOFSA-N 400.527 1.775 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507638964 UDBRBRROJPGGSP-JKSUJKDBSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1507643530 WLHJONWNRCITMS-ZFWWWQNUSA-N 420.564 1.530 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1507688814 DTELHICIFQVYJO-SFHVURJKSA-N 424.530 1.874 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CCC1 1507769815 CJYCHXZCUMMZKK-WHLCRQNOSA-N 403.552 1.694 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507795367 HYBHBVXFXCHHIR-IHPCNDPISA-N 416.570 1.701 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507855066 RALLGYPAEREODP-XIRDDKMYSA-N 413.950 1.912 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507897818 SQHZAFXKCQPQJG-ZFWWWQNUSA-N 424.571 1.205 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCN(C)C1 1508037240 HMTNEDANBATWRM-NRFANRHFSA-N 415.494 1.379 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1508122087 HRMVDOLLJHRSRO-VAMGGRTRSA-N 418.586 1.589 30 10 HDEE CCN(CC(C)C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1515462539 FDMLOYJNADVGJD-HTXNQAPBSA-N 412.498 1.687 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@](C)(C#N)C2)C1=O 1517403294 YYWZYDQJYFCPKU-NHCUHLMSSA-N 422.493 1.534 30 10 HDEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519413948 VXOQANRZQNQWRF-LJQANCHMSA-N 411.510 1.103 30 10 HDEE CS(=O)(=O)CCCCCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519523831 LBLJBXFNCAPXCT-GOSISDBHSA-N 420.583 1.937 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3ccc(C#N)s3)CC2)c1 1529398855 NBUPOHZJJIOONJ-UHFFFAOYSA-N 418.544 1.696 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1538589017 LHHJVFWJDWTIDY-UHFFFAOYSA-N 401.204 1.503 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCC(=O)N(c4cccc(F)c4)C3)CC2)c1C#N 1538697964 GDGXIJNRVUCQPP-MRXNPFEDSA-N 424.480 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1538976828 PXBQLMMWTGBGEU-HRAATJIYSA-N 415.494 1.686 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCS(C)(=O)=O)c1 1539042762 IQOJPMYDHPYEHB-UHFFFAOYSA-N 415.519 1.646 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1539178888 LRESHFQGFXROCZ-OAHLLOKOSA-N 420.514 1.134 30 10 HDEE C[C@@]12COC[C@@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1539183635 GZDACYHJVOWQHH-FXAWDEMLSA-N 403.504 1.454 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1539257562 MIVOVLUTGMFYQL-UHFFFAOYSA-N 405.437 1.321 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1539342907 BTVKGEUVDRJQNL-CYBMUJFWSA-N 405.480 1.125 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1539362125 PXJOLCAWMHZKON-UHFFFAOYSA-N 416.489 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1539409027 LWMYWGAYFGNRCD-RXVVDRJESA-N 414.510 1.493 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539513452 PCBNUMKFSNVJIM-MRXNPFEDSA-N 411.491 1.976 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540867403 VFWWEXKDXBERLL-SFHVURJKSA-N 410.522 1.908 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC=C)Cc1cccs1 1540869171 DROIFAYQNNEQBX-HNNXBMFYSA-N 400.508 1.786 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1540876171 JFFMZLZCNYKLCB-KKSFZXQISA-N 421.542 1.625 30 10 HDEE CCOC(=O)CCN(C[C@H]1CCCN1CC)C(=O)CNC(=O)c1ccc(C#N)cc1 1542257001 BEEVXYATPOHCDW-LJQANCHMSA-N 414.506 1.554 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC(C(=O)OC)CC1 1542948685 BMVIUXREUQLCHV-QGZVFWFLSA-N 409.527 1.684 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1543921405 XAPQBVQATRPACP-AZUAARDMSA-N 419.497 1.430 30 10 HDEE N#Cc1cn(CC(=O)NCc2cc3cccnc3cc2Br)c(=O)nc1O 1545938679 BJQPVFXDYHUOLI-UHFFFAOYSA-N 414.219 1.448 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)COCCO1 1555742781 ISHIPNMNKMHTJE-BBTUJRGHSA-N 419.526 1.938 30 10 HDEE C#CCN(CC(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1)C(=O)OC(C)(C)C 1557234352 JBIKQCKBKRPLLW-OAQYLSRUSA-N 414.462 1.892 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCc2ccccc2NC1=O 1557295061 BLKDIZPLBGPIJG-SCLBCKFNSA-N 412.471 1.295 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1560058406 BNZLOMGTJDUQCI-QHCPKHFHSA-N 412.486 1.966 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1564690801 YFGHXGOIYJRWOT-FQEVSTJZSA-N 418.501 1.888 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1565157151 ZRDFSOWPDGMDDS-QGZVFWFLSA-N 414.572 1.251 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(CC(=O)Nc3ccccc3)CC1)C2 1565246409 BGYUHKVEYIVHPV-NRFANRHFSA-N 403.486 1.991 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)OC 1567242752 PCAOIJQUPYIZKZ-STQMWFEESA-N 400.863 1.646 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)COc1cccc(Br)c1C#N 1585021708 MGEKOWPZMNXVQH-NSHDSACASA-N 401.282 1.735 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cnn(C)c2)c1 1587697017 HSRXZTBCBUVGGR-UHFFFAOYSA-N 407.478 1.653 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC(=O)N1CCOCC1 1588162187 MKSGHZZEMLJSNK-UHFFFAOYSA-N 407.474 1.097 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@]1(C)CN(C)C1=O 1588254485 XBSOAGVBTCYYPK-QFIPXVFZSA-N 409.465 1.937 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCO)c(OC)c1 1588301783 BOEMKAPFKJOCRY-UHFFFAOYSA-N 410.478 1.566 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCn2cc(C)cn2)CC1 1588913653 OZORXILZNLMYGE-UHFFFAOYSA-N 418.505 1.511 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593735367 DNSQKXRCLVAMAA-SJLPKXTDSA-N 415.494 1.601 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCOC1 1595205512 WHZXNJVKHIYLGL-OAQYLSRUSA-N 408.462 1.924 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595730852 ZFNKPTLJYAQQCM-SJORKVTESA-N 411.572 1.539 30 10 HDEE C#CCN(C(=O)c1cn(C[C@H](O)CC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1596146852 FBAAEOWEXNMYRG-MRXNPFEDSA-N 405.499 1.524 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCNC2=O)cc1 1596924657 DZLREQYGCGBWPO-MXVUGKIDSA-N 406.508 1.744 30 10 HDEE C[C@H](CC(=O)N1CCCCCNC(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1607414565 GSYWKAJTWPBJAT-CQSZACIVSA-N 406.508 1.023 30 10 HDEE CC(C)CSCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1607787575 XNELNWKFXWIJCY-INIZCTEOSA-N 406.556 1.909 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1 1619165972 YPSGZWZATLVYTC-CQSZACIVSA-N 408.466 1.761 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1619488667 DSGHSEPEEYCBNB-BASYENTBSA-N 411.503 1.437 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC(=O)N1 1619900257 XQIDEEXOQAOAFJ-RTBURBONSA-N 424.505 1.933 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC2CCOCC2)c1 1620349504 NQLHYZKYEPLLRZ-UHFFFAOYSA-N 424.505 1.729 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1620625745 AGDBXCUSEZZNFJ-PMPSAXMXSA-N 408.524 1.187 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849464 AENNLRLQLZTMSK-IERDGZPVSA-N 415.494 1.362 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2cncn2C1 1624625959 VJJKRXRNRZIBGG-CJNGLKHVSA-N 401.492 1.077 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnn(CCC#N)c1C 1629115405 VTANWHILOVIFIH-INIZCTEOSA-N 419.482 1.730 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1630200307 LLTSWFTYBWOACU-KXSVDRQTSA-N 421.494 1.564 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@@H]1CCC[C@H]1NS(C)(=O)=O 1630585558 PUGOGDQMYAKIPY-RRFJBIMHSA-N 416.544 1.408 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)CC1 1632403224 SGGAGYAIDMGHKX-KRWDZBQOSA-N 404.511 1.699 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1csc(NC(=O)c2cccc(O)c2)n1)C(=O)OC 1634058460 DWJSTPGODHNTBW-HNNXBMFYSA-N 419.459 1.504 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1634791423 MOWQEVABQFQVBP-HUUCEWRRSA-N 415.556 1.634 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1636958961 JCNIBJHICSLFGW-HNNXBMFYSA-N 411.466 1.576 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NCCc3nnc4c(=O)[nH]ccn34)c2)c1 1638164812 BRMZLWNVKKEAAI-UHFFFAOYSA-N 414.425 1.841 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OC(C)(C)C 1638717888 OIYLGNLZBQMCBC-CQSZACIVSA-N 408.476 1.208 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CCC4(CCOCC4)O3)CC2)c1C#N 1638753608 OUMJUCUYIGEKBR-INIZCTEOSA-N 402.499 1.160 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCN(Cc4ccccc4)C3=O)C2=O)cc1 1639973929 QCZOIUIBLJKENF-RTWAWAEBSA-N 416.481 1.824 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cn1 1640012565 AKQZBFQIKLVPHD-MRXNPFEDSA-N 400.866 1.713 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O)c1ccccc1 1643236366 GWKJYSUFGFFYED-GOSISDBHSA-N 412.490 1.203 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)c1cccc(C#N)c1Br)C2 1648582196 LLHRLLDKZXMFLA-ZDUSSCGKSA-N 417.267 1.334 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1649539661 PSQNYRSOONBMMU-UWJYYQICSA-N 403.527 1.791 30 10 HDEE Cc1nc(C#N)cc(N2CC[C@@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)n1 1655789307 FEYNLCPGEMTNSS-OAGGEKHMSA-N 414.466 1.676 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)[C@@H](C)COC 1659398770 SYYHRCGGMINMGN-IBGZPJMESA-N 423.579 1.659 30 10 HDEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)CC(C)(C)CC#N 1660964017 DEOLYJRCBHRINO-CQSZACIVSA-N 406.508 1.952 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCn2c(CCc3ccccc3)nnc2C1 1663904899 FFVDUBMSWAIDIN-INIZCTEOSA-N 402.524 1.605 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(C(=O)OCC)c(Br)cc2F)C1 1664649095 LFHADUHSZWHNNA-UHFFFAOYSA-N 406.229 1.134 30 10 HDEE CC(=O)NCC(=O)N1CCCN(C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 1666752329 DMXITUOWQFPGLV-UHFFFAOYSA-N 409.393 1.362 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)CC(Cl)(Cl)C2=O 1668199705 NZJXULHXJROKPT-UHFFFAOYSA-N 412.316 1.478 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 1671635331 VNIYVMBNSCCLJI-UHFFFAOYSA-N 402.270 1.733 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOC(F)(F)C(F)(F)F 1675738306 HALMQZWPFJBHBK-SNVBAGLBSA-N 408.331 1.740 30 10 HDEE CN(C)CC#CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1675992880 FYOYIDXWSABETR-QGZVFWFLSA-N 408.543 1.657 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)CC1 1676558075 MUWHXGJKPFYNIL-UHFFFAOYSA-N 424.542 1.616 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 1680854264 DKRWLXMKKAQWFB-MRXNPFEDSA-N 424.498 1.223 30 10 HDEE C=CCOCCCNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1683927056 ITGVPRKESJSSEI-UHFFFAOYSA-N 400.523 1.886 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1685624096 CRZWTPBJZCJYAC-HFSMHLIXSA-N 410.499 1.945 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1689835517 NXGWLAHAKOLNLN-DSGGYQJVSA-N 420.473 1.938 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC=CCO1 1689960069 XJRNETQIHKXUNN-HNNXBMFYSA-N 400.508 1.653 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1689988364 NOONJHWQHRDTBT-RCCFBDPRSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[C@H]1COCCO1 1690005108 SBESRTSHSJKPGR-HNNXBMFYSA-N 418.295 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690052333 GBHHQOOBWBDYOB-LJQANCHMSA-N 417.579 1.755 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1COCCO1 1690099763 KKAQWDVIGDIAHU-KRWDZBQOSA-N 409.490 1.938 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1690110598 SISCWNVBQWFJEF-UHFFFAOYSA-N 402.587 1.566 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690125917 QFJMTBPPHDMGMG-VGOFRKELSA-N 413.497 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)C(=O)NC)CC1 1690142971 YRTWFKZNGGZZKQ-UHFFFAOYSA-N 423.521 1.078 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690449610 LOMYPMCSEJAQEX-SFHVURJKSA-N 413.526 1.972 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690649824 XNAQCOFPCMHAEV-GOSISDBHSA-N 421.548 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@]2(CCOC2)C1 1690720471 KHJVUQSRIIFYCX-FQEVSTJZSA-N 418.519 1.542 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)C1 1690737547 PJNSIMDKOSZABX-UHFFFAOYSA-N 401.492 1.871 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)C1 1696199722 DZZAQDKUYAAURD-MFPRGYPFSA-N 424.505 1.414 30 10 HDEE CCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1 1696232196 HOHYGWAZHIODTB-SFHVURJKSA-N 412.494 1.730 30 10 HDEE COCc1nocc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1697834679 PBSIQNCNAZNVKS-QGZVFWFLSA-N 421.461 1.920 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C1 1698201666 YXCIMVUMENTHRN-NQIIRXRSSA-N 413.478 1.210 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@H](C)O2 1703027635 XKRDBJPAWCGUQX-SIFVSHMBSA-N 400.519 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1705485501 KFTZOJQYYUHJJC-CQSZACIVSA-N 421.523 1.312 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccco1 1705580019 BHGDLSVVPSCAIW-NRFANRHFSA-N 407.430 1.579 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(CC)CC1 1705595571 XPOLUBWUUAIIJA-UHFFFAOYSA-N 408.554 1.169 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1705612229 CJOHHBHBYGHGDD-HNNXBMFYSA-N 413.519 1.353 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705652313 VJAXMEWBSOTWRM-INIZCTEOSA-N 420.583 1.476 30 10 HDEE C=CCN(CCOC)c1nnc(CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705885360 PAXWLVOKACGWHI-DLBZAZTESA-N 411.572 1.684 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](COCC)C1 1705898856 AAGJREZKEQVYPN-HNNXBMFYSA-N 413.478 1.839 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC2(CC1)COC(=O)N2 1705934235 FYXCNDGBWBMNGR-UHFFFAOYSA-N 409.512 1.225 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1706064563 WLEHFPWPZIMJPN-LJQANCHMSA-N 404.421 1.964 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1712454291 LBWDUUVZVYNPDT-IIBYNOLFSA-N 416.526 1.549 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@H]2COCCO2)cc1 1712878730 KAVZHEJEAJODDN-IBGZPJMESA-N 424.505 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O 1722284281 ZVERMDBETHOJNP-WFASDCNBSA-N 411.422 1.299 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1722314631 BQWBLGDEAQNQML-OKZBNKHCSA-N 400.527 1.190 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(=C)C 1722376824 DSEFJVQZYUWPOP-UHFFFAOYSA-N 402.462 1.586 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722409651 VJAMLOMXZUMQBJ-UHFFFAOYSA-N 419.489 1.007 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1722513492 XTVPSBVRMYFQNZ-LSDHHAIUSA-N 403.483 1.948 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722617387 JEPAEDPLCYEVMZ-VFNWGFHPSA-N 416.526 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722696219 FQVZVKAQJLICPD-KRWDZBQOSA-N 423.477 1.825 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C)cc1C 1724390178 AMKXWSHEJLWWHB-FUHWJXTLSA-N 411.510 1.826 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1728297306 DSGHYHVFNTXIGZ-GOSISDBHSA-N 417.535 1.993 30 10 HDEE COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1730697043 JGVXLGKTCKKWBP-SFHVURJKSA-N 407.471 1.827 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1733295050 USLMHKSINVZDDR-HLXOMJDXSA-N 401.551 1.759 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1740638390 MPJQZRYHICUSBW-LEWJYISDSA-N 412.582 1.519 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740669689 HCYNEQMJVWQUJL-LJQANCHMSA-N 422.533 1.590 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740720069 VZTRNBOZETUVNI-UHFFFAOYSA-N 417.539 1.264 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1740946286 GOQBUKFXHSRVQY-KURKYZTESA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1740963828 YFPSNIZHDZTFQA-HXUWFJFHSA-N 409.425 1.473 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1741994390 PDWSSIZHWIKCQG-SFHVURJKSA-N 424.505 1.870 30 10 HDEE Cc1nccn1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1742629853 QSMAPVNYAMNJGX-KXBFYZLASA-N 400.462 1.657 30 10 HDEE CC[C@@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1744252524 LKYVGSZLQBUITK-IETCZJMGSA-N 400.483 1.687 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F)[C@H]1CCOC1 1747660785 PNMVPEXYSLMLRB-AWEZNQCLSA-N 420.420 1.335 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1748665606 SLETVLBMLPVCIZ-KUHUBIRLSA-N 404.540 1.857 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1748731650 IMXMJXXUFWRWGX-LZQZEXGQSA-N 407.540 1.309 30 10 HDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1748753602 OSJPUFOTQIHRBN-UHFFFAOYSA-N 414.554 1.551 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccsc1)N(C)C 1748851850 PSSRSSLYDMEJQO-SFHVURJKSA-N 410.547 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cc(C)oc1C 1748900707 LDGSHCRZVHVMJX-QHCPKHFHSA-N 423.517 1.981 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1748956395 QKMDLHUQVMSBHI-UHFFFAOYSA-N 420.473 1.582 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1749010112 NONNOQNSZBDOLQ-KRWDZBQOSA-N 419.551 1.089 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)C 1749042656 ARFYVDPFSBGVIZ-KRWDZBQOSA-N 412.494 1.521 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749189797 SUVSNBNCFLVUIX-YRVVQQKDSA-N 402.499 1.909 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1749525092 HBZBRCICJLDLSQ-UHFFFAOYSA-N 412.523 1.942 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1749650517 AEUNUSATZJTRCM-UHFFFAOYSA-N 414.485 1.805 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1749652201 JPDBMPGDBPHOCV-VQTJNVASSA-N 424.549 1.643 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 1749684264 USBDJGOCGJSCGH-NRFANRHFSA-N 424.549 1.942 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1750516915 ABTQCLMVXMJDBB-RDTXWAMCSA-N 413.519 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1760099324 DWYZPTLUAKNKMF-YWZLYKJASA-N 403.483 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1760117918 VUVMODAUJNACOB-GOEBONIOSA-N 418.519 1.704 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1760189972 MSNGYIDFIVAPPH-ROUUACIJSA-N 405.568 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760203756 PDZXSFXHMVCSPM-RBUKOAKNSA-N 417.579 1.754 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1760237656 PTIHZEHHWJBVAO-AWEZNQCLSA-N 421.548 1.164 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1760252067 LPCQYWUBOZNWRT-UHFFFAOYSA-N 416.445 1.194 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1760272568 OQTPXRGBWJMJRX-AWEZNQCLSA-N 402.528 1.253 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCOCC1 1760299127 IGCKHWIALKWIOJ-ABSDTBQOSA-N 404.511 1.536 30 10 HDEE C=CCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760439704 QSXMOHMKUXWUSE-UHFFFAOYSA-N 402.543 1.714 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1760500591 PBGMKAYGHOQHOL-FQEVSTJZSA-N 413.482 1.043 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760522123 MDGJADDBFWIVPB-IAGOWNOFSA-N 414.514 1.134 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1760553452 CSZSEFWGXIAGCY-FQEVSTJZSA-N 420.510 1.993 30 10 HDEE CC(C)[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1760963656 FYEBDDTUTACCHU-KDDVOAFDSA-N 414.510 1.933 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1ccsc1 1761235594 DQKXIEKPNYWBKU-QGZVFWFLSA-N 413.551 1.897 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)C#N 1761580294 QWKLROQKCUWBKB-AWEZNQCLSA-N 415.498 1.734 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC1 1762301640 DYCFVXKGKWWGGA-QGZVFWFLSA-N 403.531 1.411 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1769322352 GCVRCHSAKJUTFE-KGLIPLIRSA-N 418.523 1.211 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)OC(C)(C)C 1771223166 RNEQBYHYLYHKHF-GJZGRUSLSA-N 424.502 1.256 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN1CCCC1 1850098165 BRJJTLLBQUQEEY-GOSISDBHSA-N 406.552 1.008 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1Cc1cccc(F)c1 1852807903 YCMCTBDWAFZAOZ-UHFFFAOYSA-N 406.425 1.398 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@H]4CCCC[C@H]43)ccc21 1853771116 IDPXPZHSJVGFMN-SJORKVTESA-N 403.460 1.348 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)CCN3CCCCC3)C2=O)CC1=O 1854103754 IGYKKSKBDMHJLV-RTBURBONSA-N 404.555 1.346 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1=O 1854186366 NWAHJEPSTUZUQR-IRXDYDNUSA-N 407.873 1.868 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCC1=O 1855855166 ZLULDKTXVOSAGA-KRWDZBQOSA-N 402.882 1.701 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2ccc(Cl)cc2)C1)C1CN(c2nccnc2C#N)C1 1856232160 LOPBEHVTQRHCBC-AWEZNQCLSA-N 424.892 1.811 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C(=O)[C@H]1C 1856263168 TXNWEYIZUOFYNU-UONOGXRCSA-N 418.444 1.788 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1856684571 FZSWSLCWIPYLOD-QAPCUYQASA-N 418.519 1.873 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCc2cnc(C)s2)C1=O)[C@@H]1CCN(C)C1=O 1856721369 IUWMTJVUGMDNGZ-DLBZAZTESA-N 404.536 1.620 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1856745601 BOQSXTHRHCMQME-GOSISDBHSA-N 405.520 1.477 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccccc2Cl)C1=O 1857147323 XQIJIBOWYZIOMF-KRWDZBQOSA-N 410.865 1.563 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2cc[nH]cc2)c(C(=O)OCC)c1C 1860748918 OBOJZOXTVOTWKZ-UHFFFAOYSA-N 417.443 1.970 30 10 HDEE Cc1ccc(-n2nc(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)c(=O)cc2C)cc1Cl 1866288078 HWJDOKXSZKTUSF-UHFFFAOYSA-N 407.821 1.838 30 10 HDEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868796199 RNUTYGLBCPUYPA-QGZVFWFLSA-N 418.563 1.903 30 10 HDEE C=CCn1c(C(=O)N2CCC[C@@H](C)C2)cc2c(N3CCN(CCO)CC3)ncnc21 1873561831 AQVDGSHOZPABNZ-QGZVFWFLSA-N 412.538 1.604 30 10 HDEE COc1cc(OC)c(OC)cc1/C=N/n1c(CC(C)C)nnc1SCC(N)=O 1874488363 SSZIOUOJBHKKPJ-AWQFTUOYSA-N 407.496 1.962 30 10 HDEE CC1(C)OB(c2cnc(N3CCO[C@@H]4COC[C@H]43)c(Br)c2)OC1(C)C 1877611484 HTPVODMNZAOWTF-ZIAGYGMSSA-N 411.105 1.747 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1985007912 RXPQDVAUMLAXLN-CVDCTZTESA-N 415.534 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2011939024 GZVVBZONDHTVEB-ZMOMAAQPSA-N 422.331 1.909 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)CO1 2118163318 PMBMLJBASPXIHW-VXGBXAGGSA-N 401.510 1.828 30 10 HDEE N#Cc1c(Br)cccc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2118194115 IPTGOJGCINYASM-IUCAKERBSA-N 419.201 1.679 30 10 HDEE C#CC[C@](C)(CO)CNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2140708863 KUWPHZATRQZDQT-YUXAGFNASA-N 402.491 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)O 2151777128 XANZAXDPAWJDQG-GFCCVEGCSA-N 417.871 1.858 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NCc2cccc(I)c2)C1 2175851575 KVEONTOPFZIEOC-LBPRGKRZSA-N 405.261 1.861 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 2201717686 AYSIKMXOJQWCLD-UHFFFAOYSA-N 415.899 1.719 30 10 HDEE C=CC[C@@](C)(CO)CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2201838059 YEORWVDYHCZCIG-RDTXWAMCSA-N 404.529 1.102 30 10 HDEE COCC[C@H](CNS(=O)(=O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C 2233904253 XIDKMERPVLSZMS-CQSZACIVSA-N 405.517 1.156 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856903 OQCRGYDEGUSGPY-GXTWGEPZSA-N 418.303 1.419 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247910318 KUUZHKFZFDLBOS-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE C[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247923250 VOQNHEFBCRBEJG-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE CN(CCCNC(=O)C#CB1OC(C)(C)C(C)(C)O1)CCCNC(=O)OC(C)(C)C 2247929110 CTHLBTDQLWGZJN-UHFFFAOYSA-N 423.363 1.974 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NCCC#CBr)CC1 2249983648 WTFOKVMAGZZJNX-UHFFFAOYSA-N 403.273 1.950 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2256058865 JSWFUZQXYIHHEH-GAJHUEQPSA-N 420.322 1.780 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC4(CCC5(CC4)OCCO5)C3)[nH]n2)OC1(C)C 2281976638 DTFKVGZRFFMMKJ-UHFFFAOYSA-N 403.288 1.468 30 10 HDEE Cc1cc(C(=O)NCCCNS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282178283 MRVXAPCFLCDDAO-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282305991 HBVCWJSUTAJAJC-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](CN)C1 2282308028 LSMSKRIYIDDTBY-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H]1CCSC1 2282329694 QBADLUCSIONMHJ-LBPRGKRZSA-N 401.363 1.141 30 10 HDEE CO[C@@H]1CCOC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340218 CPWAMOIWKOEAQE-QWHCGFSZSA-N 403.331 1.130 30 10 HDEE CC[C@H](C)[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415168 CWIFPBHXRZJADL-NWDGAFQWSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](O)C3)c(Cl)c2)OC1(C)C 2282510191 VPKGVDJKZQSWJA-CYBMUJFWSA-N 401.721 1.785 30 10 HDEE COCC[S@](=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282662541 CEOILUASIHWXKN-AREMUKBSSA-N 421.777 1.826 30 10 HDEE Cc1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282687616 IJBLHAUPSQBVOD-GFCCVEGCSA-N 401.359 1.861 30 10 HDEE COC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828121 IZLUTPVSTXMLLN-JTQLQIEISA-N 403.693 1.479 30 10 HDEE CCNCCN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843668 QSICIOUCYOWUIK-UHFFFAOYSA-N 402.391 1.809 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@H]2CCO)OC1(C)C 2282849915 IOVRPZSZDBQEIK-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CCC1(CS(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)COC1 2287052927 AHOKHDYSMRDRAA-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE C#CCN(C)CCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316806849 HKIPXSLKXMLJDA-UHFFFAOYSA-N 405.520 1.327 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCN[C@@H]4C[C@H]34)cc2Cl)OC1(C)C 2359272769 TXOYYPPCKGVCDT-ADEWGFFLSA-N 418.777 1.729 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207864 ATFUFSSJROMJNT-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(C(=O)OC(C)(C)C)[C@@H]1CCOC1 2367795449 DWNQSPLLLSHVSV-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367801102 OYFYDFNRLQJKHI-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE C=CCN1C(=O)N[C@H](c2cc(OC)cc(OC)c2)C2=C1CN(CCN(C)C)C2=O 4346878 CZUPDNNYCBCTDP-LJQANCHMSA-N 400.479 1.614 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1 22935180 XFYLWZUNFKTSHP-UHFFFAOYSA-N 416.917 1.271 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)COc2ccccc2C(C)C)c1=O 31584723 RTAXZQJLNFKEQI-MRXNPFEDSA-N 401.463 1.107 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2cscn2)CC1 57831171 JGGCHUPQKPWQSM-UHFFFAOYSA-N 400.504 1.782 30 10 HDEE N#C/C(=N/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 96833346 YCOVYMUXNWGZJH-UZYVYHOESA-N 415.431 1.955 30 10 HDEE C#CCN(C(=O)c1sccc1I)[C@H]1CCS(=O)(=O)C1 311811347 BDUSTURDGWNVSS-VIFPVBQESA-N 409.270 1.615 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]1c1ccnn1C 410292043 VZPUCEDYZCHWEA-KSSFIOAISA-N 401.492 1.712 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435408241 RWENQRAYULNIMQ-BBRMVZONSA-N 412.471 1.467 30 10 HDEE CC(=O)c1ccc(C#N)cc1N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 438893783 DGRKBHFLDMBILS-UHFFFAOYSA-N 404.414 1.716 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 463348426 IBYOLYYTISYWEQ-UHFFFAOYSA-N 400.357 1.674 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463898966 VQHSLANKCPBXBO-QCFAMHMHSA-N 423.469 1.481 30 10 HDEE COCc1nc2n(n1)C[C@H](N[C@H](C)C(=O)N(CCC#N)c1ccccc1OC)CC2 466295666 FLFQQNBVTIGZOT-HZPDHXFCSA-N 412.494 1.673 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2ccc(Br)s2)CC1)n1cnc(C#N)n1 466950755 WOUNPNLTWPOURX-NSHDSACASA-N 409.313 1.879 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(C3CCCCC3)no2)CC1 467033604 BYCCEXXDTHIPAX-HNNXBMFYSA-N 404.515 1.808 30 10 HDEE COc1cccc2c1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 470549158 MDILGZMRLNQCQJ-OAHLLOKOSA-N 413.499 1.861 30 10 HDEE Cc1nc(CN2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)CC2)n[nH]1 483470732 CWYBENRUZPFBOU-CYBMUJFWSA-N 417.495 1.149 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)Nc1nn(C)cc1C#N 484514496 LDOFGYKFTXKTLF-UHFFFAOYSA-N 415.269 1.880 30 10 HDEE CC(C)N1C(=O)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1(C)C 488256462 AECGAYBWSHPNPD-GOSISDBHSA-N 411.506 1.700 30 10 HDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1 490027662 BFDUHFRGMGNJFO-WOJBJXKFSA-N 404.486 1.272 30 10 HDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N(CC#N)CC#N 501880772 JCWJDCCBUJTSQY-UHFFFAOYSA-N 402.270 1.902 30 10 HDEE C[C@@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C1(S(C)(=O)=O)CC1 502681387 SSEMMFWUXOJWAI-IUDNXUCKSA-N 406.508 1.908 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 524567824 CBYXDKRGJQLTEV-WIYYLYMNSA-N 414.506 1.011 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CC[C@@H](NC(N)=O)C1)CCCC2 536491295 LLCHRXHFZYOFOI-HUUCEWRRSA-N 414.510 1.099 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 537920648 ZZSGUPYXCZQXAS-GOSISDBHSA-N 416.503 1.424 30 10 HDEE COc1ccc(Cn2nccc2NC(=O)[C@H](C)n2cnc(C#N)n2)c(OC)c1OC 538405395 MNWBRJNFEKXTLQ-LBPRGKRZSA-N 411.422 1.620 30 10 HDEE COCC(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542033284 UGFLZJIANORIHN-UHFFFAOYSA-N 402.842 1.720 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 544640564 XLWNHYNWQVUNAZ-UHFFFAOYSA-N 412.471 1.342 30 10 HDEE CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 547394974 GXFDJFAOCHMHPN-CYBMUJFWSA-N 419.511 1.812 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)s1 553549219 DSEGWKGRAGQMRE-STQMWFEESA-N 403.485 1.817 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 562029986 VPABVERCOYCUOJ-NXOAAHMSSA-N 409.556 1.812 30 10 HDEE Cc1nsc(N2CCN(C[C@@H](O)COc3ccc4c(c3)OCO4)CC2)c1C#N 570622589 TXQVTJQVQUUMPW-CQSZACIVSA-N 402.476 1.614 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)CC1 580575875 LOZXRFKBFJBEGH-OAHLLOKOSA-N 412.416 1.048 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccccc1C 609739125 AKWRADQBXDDYKQ-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccn(CCC#N)n1 609788278 ZKPILNJLVWEFPO-UHFFFAOYSA-N 403.464 1.378 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4C(N)=O)C3)CC2)n1 612807144 QIASOULPPLLAKO-QGZVFWFLSA-N 419.489 1.163 30 10 HDEE COC(=O)CC1(NC(=O)c2cc3ccccc3n2CC#N)CCS(=O)(=O)CC1 615215557 ROVLXENYRINWTA-UHFFFAOYSA-N 403.460 1.405 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCCOc2c(Cl)cccc2Cl)C1=O 726042980 IKKDFUANJOWBCC-UHFFFAOYSA-N 401.202 1.892 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1C1CC1 726577053 GMPODTSIOAGJSE-CQSZACIVSA-N 419.510 1.944 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@@H](C)CN2CCN(C)CC2)C1=O 730144146 XUZLZLOJIBUAHX-WMLDXEAASA-N 421.542 1.529 30 10 HDEE C[C@H]1CN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)C[C@H](C)O1 731904646 NXCJKKXGOCHEIR-KBPBESRZSA-N 401.492 1.826 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 732447755 BRXUKUDZCWVEJV-PXBNPBHZSA-N 412.446 1.735 30 10 HDEE Cc1c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nnn1-c1ccc(OC(F)F)cc1 732648222 PZYSFUULOYNECU-OAHLLOKOSA-N 402.405 1.990 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 755514845 LTWNRWMSUISLMG-HNNXBMFYSA-N 419.453 1.885 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 770895881 XZRQJCBOECHLHY-DZGCQCFKSA-N 423.491 1.781 30 10 HDEE C#CCN(C(=O)NCc1ccccc1OCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 774165251 LHLVEEPRPCVLSX-LJQANCHMSA-N 421.563 1.739 30 10 HDEE C#CCN(C(=O)NCCCC(=O)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 774214064 SPHIQUPAXGVNGJ-QGZVFWFLSA-N 403.504 1.188 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)CCO2 774850285 PBHBJLVMJHVECS-OAHLLOKOSA-N 424.519 1.870 30 10 HDEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 777467169 IOQCXFRCNPGNLY-DVCONVQISA-N 403.552 1.568 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 781915310 ZBJKFKROPSYHCI-APWZRJJASA-N 421.567 1.401 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2N2CCOCC2)cc1C#N 788331299 JHQPYSYQYJSKSD-UHFFFAOYSA-N 408.458 1.336 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cc(F)c(Cl)cc1F)c1cc[nH]n1 790230150 RPFKHMZVGZBZJG-UHFFFAOYSA-N 400.769 1.942 30 10 HDEE C#CCN(C(=O)N[C@@H](Cn1ccccc1=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 800763926 USGXUNWTXAVNPY-MOPGFXCFSA-N 413.499 1.422 30 10 HDEE N#Cc1ccccc1N=c1scc(-c2cnccn2)n1CCN1CCNC(=O)C1 803182074 QFQWSEVEUSTIPI-UHFFFAOYSA-N 405.487 1.542 30 10 HDEE COc1ccc(N2CCC(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)CC2)cc1 804317421 CGLZPXSXSYCFHS-UHFFFAOYSA-N 422.485 1.977 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)c1ccc(Cl)cc1 810470540 HFCZKZBFLUDNGU-OAHLLOKOSA-N 415.833 1.642 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)OCC(=O)NCc2cccc(C#N)c2)C1 811430567 SJTRCMNXIYNEDK-QGZVFWFLSA-N 405.426 1.923 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)C(=O)OCc1ccccc1 814287200 XZZXCJMVPBYZCZ-ZBEGNZNMSA-N 410.398 1.608 30 10 HDEE Cn1cc(-c2noc([C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)n2)c(O)nc1=O 904837166 OKHPEKLEMSOAAQ-SNVBAGLBSA-N 412.793 1.581 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCc3cnc(C4CC4)nc3)C2=O)cc1 1116380908 MBLVFSIHIQFDAE-GOSISDBHSA-N 418.457 1.790 30 10 HDEE CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCOCC1 1126703560 CKVZGTDJBUDSJJ-RHSMWYFYSA-N 418.881 1.318 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1130119815 YPLFPMOWGBHMLU-SGJUXQJHSA-N 409.845 1.953 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ncnn21 1131114177 WUCYNEBADLXPMG-CXAGYDPISA-N 414.491 1.373 30 10 HDEE CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)(C)C(=O)OC 1134209610 DXSJNCUVXOSIJB-UHFFFAOYSA-N 421.519 1.759 30 10 HDEE C=CCn1c(SCC(=O)N2CC(=O)N(C)C(=O)C2)nnc1-c1ccc(Cl)cc1 1139111471 LOPLDWGWJAWWHR-UHFFFAOYSA-N 419.894 1.704 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1141568565 GGTVNJQUTWHDLR-UHFFFAOYSA-N 417.267 1.405 30 10 HDEE COCCN(C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1141599188 AGELUSKQPGQWCH-BATSVXPKSA-N 408.543 1.858 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](C)[C@H]1C(F)(F)F 1148106605 CIGNTJOUNPDOKI-MJVIPROJSA-N 405.398 1.403 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2[C@H]3c4cccc(Br)c4C[C@H]32)c(=O)nc1O 1148392760 HIBIWMXPSJPQQC-VHDGCEQUSA-N 415.247 1.285 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c1 1179509840 LTTMJXKUTSSSTL-INIZCTEOSA-N 414.480 1.162 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@H](O)C[C@@H](C(=O)OC)C2)cc1 1199059403 SLBOEFUXRRNVKR-SJLPKXTDSA-N 401.463 1.889 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccsc3Br)C2)c(=O)nc1O 1227110002 HSBPUWOTAWCOEE-UHFFFAOYSA-N 410.253 1.411 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C#N)c4)CC3)ccc21 1260796069 CDIRLMGMWSIHCJ-UHFFFAOYSA-N 410.499 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1286407316 UTBYMYVGRLWHEL-UHFFFAOYSA-N 420.498 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=C)C)CC1 1286488155 LOIJFPOQWSNHEV-OAQYLSRUSA-N 401.511 1.472 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CCOCC)CC1 1286503914 LJOACJZMYVGABC-UHFFFAOYSA-N 400.552 1.865 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286583050 KMXOTFORIJWMPA-UHFFFAOYSA-N 402.459 1.939 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1286701226 SBHSQJVJIMLXLP-OAHLLOKOSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286794015 SSBBQQRJLBYRHB-UONOGXRCSA-N 416.448 1.505 30 10 HDEE CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)CC1 1287340363 FHDDVSOBDHTLOZ-LSDHHAIUSA-N 410.544 1.443 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CS(C)(=O)=O)c2ccccc2)c1 1294258509 SNAFOSLZIPQVGU-IBGZPJMESA-N 419.524 1.999 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)/C(=C/c1cccs1)n1nnnc1-c1ccccc1 1298542947 HAPNPUCVLFDQHN-WMJYUBJYSA-N 410.459 1.896 30 10 HDEE Cn1cnnc1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1298870720 FMRUQYRWRPNLJA-SFHVURJKSA-N 400.393 1.615 30 10 HDEE CN1C[C@](C)(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)C1=O 1298877007 KOGKPRFRQZSNLQ-JOCHJYFZSA-N 422.537 1.647 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N(C)C 1300321428 MFAMIMZEBSFEFC-INIZCTEOSA-N 405.524 1.515 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 1300393028 RLCQKNDVVXMAQA-RTBURBONSA-N 409.421 1.309 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496282 PHHGVEIZYQXCFH-QZTJIDSGSA-N 406.552 1.989 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@H](C)C1 1300664305 QKFXXJHVFBLTAC-ROUUACIJSA-N 416.570 1.826 30 10 HDEE COCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1300939479 BVBMFZLNSXXKKS-ZDUSSCGKSA-N 402.455 1.407 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1301271280 QSNNJBFWSNHEOB-QFIPXVFZSA-N 420.602 1.967 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC=C 1301502050 BDKXGPNJXNZGPB-HNNXBMFYSA-N 420.514 1.511 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H]3C[C@]3(NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1301520020 AXXGZHWFEQAAAY-QKKBWIMNSA-N 418.542 1.981 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)c1 1302875797 DAWISZWKXWUXBB-RTBURBONSA-N 405.458 1.685 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1308000737 CILGWVSGZDISQI-QGZVFWFLSA-N 410.440 1.957 30 10 HDEE C#CCSCCNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1312051076 XMVYIKCYIOYQNZ-AWEZNQCLSA-N 405.524 1.940 30 10 HDEE CN1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccc(F)cc1 1320176727 LLUICGQOVSWEKA-LPHOPBHVSA-N 416.478 1.426 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc2C1=O 1349457764 XLUMXDIWFZOLQF-UHFFFAOYSA-N 406.402 1.152 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CSCN2C(=O)OCC)cc1 1354103722 CXBKVWMSOCNJHZ-OAHLLOKOSA-N 413.521 1.963 30 10 HDEE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C#N)c(Cl)n1 1354113682 KWMRMRZDBZQOCT-GOSISDBHSA-N 411.893 1.852 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358956907 MHHSBJHHOPQUKG-KFWWJZLASA-N 416.494 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1359043204 LKSAOKPJXIGYNL-VQTJNVASSA-N 423.517 1.451 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1359048034 CLHGLRPBJKHNCN-WOJBJXKFSA-N 403.552 1.790 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1359060678 DVVBQQUPWPXQPD-UHFFFAOYSA-N 403.483 1.641 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359123637 DNONCNLQRRRDLY-MSOLQXFVSA-N 402.543 1.524 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1359301850 NIFGWAJIXXMOMY-UHFFFAOYSA-N 402.543 1.618 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359327193 VDSDRFNBTSRBCG-GJYPPUQNSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccco1 1359331972 LNKJQTAQZBFWMR-ZIAGYGMSSA-N 407.496 1.620 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1360871037 IEXOHHGEDQQSJX-CQSZACIVSA-N 403.888 1.931 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)c(Cl)c1 1436071169 WWLCBUVFKCSRDH-UHFFFAOYSA-N 422.938 1.818 30 10 HDEE COCC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1450765424 DFUWPACIERGKAE-CQSZACIVSA-N 410.268 1.451 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1 1452938300 WIODCGXBPSAPRK-UHFFFAOYSA-N 422.503 1.361 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1)C1CSC1 1453163417 FHWZJFSFRXQOMQ-UHFFFAOYSA-N 417.350 1.890 30 10 HDEE C[C@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874132 DZYHBCICVCIWSG-LIRRHRJNSA-N 402.470 1.402 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1Br 1455503448 ZZNDJPOHIDZHKY-QWHCGFSZSA-N 413.293 1.593 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(Cc3cc(F)ccc3Cl)c2)C1=O 1461073186 WMACEFPFHOFKNN-UHFFFAOYSA-N 419.800 1.639 30 10 HDEE Cc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(N(C)C)nn1 1461540907 HHGACNYICDSFRT-OAHLLOKOSA-N 407.434 1.566 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)C(=O)OC 1462164661 QIWLEJJAARVPCP-MRXNPFEDSA-N 412.508 1.963 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)cc1 1463259931 DVIRYJXAYVGCAG-IBGZPJMESA-N 400.456 1.769 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)cc(F)c3N)CC2)cc1 1464042159 YWZGANCPZBGWJW-UHFFFAOYSA-N 406.414 1.565 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1464910720 WSBWRCWLDOPOLG-UHFFFAOYSA-N 413.565 1.873 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OC)cn2)s1 1467401245 UCAXFZIHGINPDR-UHFFFAOYSA-N 409.489 1.253 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2c(O)nnc2O)cc1 1467851262 UYYKHPYILKNDMW-AWEZNQCLSA-N 401.423 1.924 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C(=O)OC(C)(C)C 1470677499 UUMRNKFZZIOGDA-HZPDHXFCSA-N 413.540 1.366 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1 1472118587 YIDOTOPPAAYNTE-ZHRRBRCNSA-N 422.522 1.990 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)/C=C\c3ccccc3C#N)CC2=O)C1 1472248381 JPKTZJOAYYJOHM-JJEJIETFSA-N 410.474 1.908 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1472368696 RXRUVFRSZLBHDL-YUELXQCFSA-N 422.507 1.397 30 10 HDEE N#CC1(C[C@H](O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)CCOCC1 1473838671 WHRBRCWQCNTWKI-SFHVURJKSA-N 407.536 1.585 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2C[C@H]2CCCO2)C1 1478404994 XAXJCDULSIXPTH-YLFCFFPRSA-N 408.499 1.725 30 10 HDEE COCC1(CNC(=O)N2CCO[C@@](C)(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1478620355 WCKLBDHQTNGTDG-IBGZPJMESA-N 410.515 1.974 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1478854338 LGIWMAYSKBGYCI-WFASDCNBSA-N 401.460 1.084 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)s1 1479333949 ADWVJQGNRVPSTH-QWRGUYRKSA-N 409.468 1.488 30 10 HDEE C[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCN1CC(=O)NCC#Cc1ccccc1 1489281278 OTVIRTDTTNPMTN-WTCHQRSMSA-N 407.514 1.157 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1504972204 FKSBQJVCLQIBPI-KBPBESRZSA-N 402.455 1.217 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)CC1 1505322936 AWPCKRUGTISEPD-HNNXBMFYSA-N 411.466 1.382 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1507511832 AIHWMEMDUQOWEX-LSDHHAIUSA-N 409.556 1.479 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1507514958 QUEZJDFDPCNDNB-MRXNPFEDSA-N 404.478 1.601 30 10 HDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507565642 FXBOXJYVPDGGGA-UHFFFAOYSA-N 400.527 1.207 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(C)(=O)=O 1507646890 ZKUZILVXAZSTGB-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccnc1-n1cccn1 1507651584 QVNYFZKQLNRQKH-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507917102 YMVUITPUDQOPDW-CABCVRRESA-N 423.539 1.423 30 10 HDEE COc1ccnc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1F 1529254391 OXMXJRTYMWEYAE-AWEZNQCLSA-N 411.393 1.622 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)cc(OC)c1OC 1537837823 FGYSAFSWUAFUBL-PBHICJAKSA-N 419.478 1.667 30 10 HDEE N#Cc1csc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1538517643 PWCXXHHGFJTYIO-UHFFFAOYSA-N 420.516 1.285 30 10 HDEE CO[C@@H]1CCOC[C@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1538646191 GWLUNPJHBRFUGJ-HZPDHXFCSA-N 400.435 1.943 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539221287 ZDYCQYLOXVSMRT-QWXGXRTQSA-N 412.581 1.014 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1 1539259269 BURRHFGHZWDEPI-QGZVFWFLSA-N 407.474 1.562 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1CC 1539325664 LDDULDHLAXVJDK-IBGZPJMESA-N 417.473 1.913 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539428552 SVYXTCVMCDREMR-ROUUACIJSA-N 400.527 1.153 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nccc4cccnc34)CC2)cc1 1540647698 GGACDHSCDWHNCI-UHFFFAOYSA-N 407.455 1.648 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540874264 ZVABUOMFMVKNJG-MRXNPFEDSA-N 415.498 1.582 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)cs2)C1 1540892463 LYQOKQAFMLSYSN-LSDHHAIUSA-N 423.564 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1540898132 AOURDLJZYJBPMZ-UHFFFAOYSA-N 413.544 1.492 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540916366 AMYPORWQPXGSLE-LSDHHAIUSA-N 406.512 1.971 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1=O 1544858378 AXYWPSYYVFPTSG-CVGURMSBSA-N 400.866 1.690 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCO)CC1 1545667281 QCFWSNXVWVHYCH-HNNXBMFYSA-N 417.934 1.760 30 10 HDEE CNC(=O)N1CCC2(CC1)CN(c1ccc(C#N)c(C(F)(F)F)c1)C[C@H]2C(N)=O 1548377363 JAYRWPBGPNHINK-HNNXBMFYSA-N 409.412 1.920 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1552812919 OPWODWRGXUHDRH-DLBZAZTESA-N 404.515 1.012 30 10 HDEE CN(C)CC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1552853050 BLIXXQWYQSECBY-MRXNPFEDSA-N 412.494 1.990 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554234400 UPVKZQGLJFTOEY-STGLLQLASA-N 400.483 1.545 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1555648601 COPMINWTRIMSHO-OHTQGHCMSA-N 404.471 1.129 30 10 HDEE CC(C)OCc1nc([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)no1 1556891018 CWTZKWUQMNDZHN-NSHDSACASA-N 410.427 1.922 30 10 HDEE C=CCNc1ncc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)s1 1556996737 NNWJUKWBHUYYQD-LLVKDONJSA-N 401.510 1.322 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2CC)CC1 1558074818 JTRSTWHMVROGHF-UHFFFAOYSA-N 414.325 1.237 30 10 HDEE COC(=O)c1ccc([C@@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)n1C 1558813748 HMSCRISBRNFVIX-HNNXBMFYSA-N 413.434 1.090 30 10 HDEE C=CCCSCCNC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1562504496 DIYJLGLOLRASAQ-UHFFFAOYSA-N 419.507 1.610 30 10 HDEE Cc1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)nn1-c1cccc(Cl)c1 1562549610 CGRXHDSBHUISTF-UHFFFAOYSA-N 413.825 1.790 30 10 HDEE CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564594085 ULDKOGAPCDXFDP-BZNIZROVSA-N 417.853 1.816 30 10 HDEE COC[C@](C)(C#N)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1566306489 MFIFUBZLUYMUEP-OFNKIYASSA-N 423.469 1.931 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(N(C)C)n[nH]3)CC2)c1 1568976468 UJEQQIQOHFLNHC-UHFFFAOYSA-N 415.519 1.688 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(C(=O)OCC)cc1)c1cc[nH]n1 1583425571 OVIJIXQPPRJJLJ-UHFFFAOYSA-N 402.407 1.187 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1587561499 FBXRHKHNBTYKNS-HZPDHXFCSA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1587568997 ULVMMYICDYMRKJ-FRQCXROJSA-N 410.540 1.211 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)OC(C)(C)C 1587635312 HUYXZUGRJMRYPD-HNNXBMFYSA-N 406.483 1.828 30 10 HDEE C#CCCCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1587852099 PZCKAWSVNTZANB-UHFFFAOYSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588034055 APSYKXPWELSIMJ-SFHVURJKSA-N 401.492 1.220 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCCN1CCOC1=O 1588166549 JHFLHDKTFCTDBZ-UHFFFAOYSA-N 411.437 1.911 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588309968 JROGMHVQEKUIGS-UHFFFAOYSA-N 422.493 1.449 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CC(=O)N(C)C)CC1 1588751211 JJZAYQWFNGNEKO-MRXNPFEDSA-N 414.485 1.401 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1588812194 QOGUIZIFEBGLAA-WOJBJXKFSA-N 400.571 1.658 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1589134103 FASUITZEBOXIRT-HNAYVOBHSA-N 407.540 1.376 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H](C)C1 1589216194 LQWSINYGEHIDET-AXVVYFOYSA-N 406.552 1.987 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1)C1CC1 1595020202 AKWGUXKHFNSYGN-HUUCEWRRSA-N 408.572 1.527 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1595229069 MGJHNAOGHXWTRA-UHFFFAOYSA-N 409.556 1.792 30 10 HDEE N#CCC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)CC1 1611466504 AIKOQHSJWFQVSU-UHFFFAOYSA-N 411.549 1.907 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1613010211 ISMMQQNLUOXDGW-YCRPNKLZSA-N 410.478 1.432 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1618794263 DDUHXONQHCHYTB-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)C(=O)OC(C)(C)C 1623203541 QRIURZAPKYLTGE-PMACEKPBSA-N 415.534 1.856 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)C(=O)OC(C)(C)C 1623203543 QRIURZAPKYLTGE-VQTJNVASSA-N 415.534 1.856 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1 1626150228 PPMYUUHKKKHCIE-UYAOXDASSA-N 420.387 1.876 30 10 HDEE Cn1ccnc1[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1626286032 CTIWGDLRZAOBRP-IAGOWNOFSA-N 402.476 1.243 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(OC(F)F)cc(OC(F)F)c3)C[C@H]1CS(=O)(=O)C2 1627136306 FQUVPLGBSZUVDR-MGPLVRAMSA-N 422.356 1.900 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1628251515 KNGJIXSRIOHFLS-SPLOXXLWSA-N 416.478 1.997 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCN(C(N)=O)C2)C1 1629117913 PBGOTPNILDYUST-GFCCVEGCSA-N 420.311 1.664 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCC1 1630296148 YESVKDCTUASYLO-KRWDZBQOSA-N 405.520 1.889 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 1631784619 SZFPFGHLJCKGDX-FHWLQOOXSA-N 406.571 1.778 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1632035631 WYJSWBGMQLNHDC-ZWKOTPCHSA-N 406.891 1.860 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1632249469 HAHLYJAQDNUCOI-CBGDNZLLSA-N 406.527 1.562 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(CCC#N)CC2)ccc1OC 1632348714 FNTDPHKPJQDWKG-UHFFFAOYSA-N 408.524 1.397 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCc2ccc(OC)cc21)c1cc[nH]n1 1633131592 JFYYJFXAVZZJDW-MRXNPFEDSA-N 400.435 1.896 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1 1637124205 HAOMHUAKVHEWFN-YSIASYRMSA-N 402.516 1.860 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 1637667812 LLLTVQNUFNHUIX-CQSZACIVSA-N 414.443 1.437 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)C2 1639989451 RBBMMUZSQXMRND-UHFFFAOYSA-N 421.482 1.159 30 10 HDEE CN1CCN(CC2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1641391111 IFUQYCIDNRGXEH-QGZVFWFLSA-N 415.925 1.270 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3scc(CC(C)C)c23)CC1 1643102210 LDCQPBMHYOEAPB-UHFFFAOYSA-N 407.565 1.788 30 10 HDEE Cc1ccc(CN2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1644001644 FRQKKDANYHKITB-LJQANCHMSA-N 412.515 1.536 30 10 HDEE COC(=O)[C@@H](CC(C)C)NC(=O)Cn1cc(C#N)c(I)n1 1644029465 LDSLGBYROZUOQY-SNVBAGLBSA-N 404.208 1.063 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCCCC2(C(=O)OC)CCC2)cc1 1646392026 HJNSBRUWAKWWJH-UHFFFAOYSA-N 406.504 1.842 30 10 HDEE C=CCN1CC[C@@H](N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)C1=O 1647859944 AEAZREAFXQAVNR-IIBYNOLFSA-N 401.511 1.891 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1648005747 WBAKHIQGPQPEOH-UHFFFAOYSA-N 422.503 1.618 30 10 HDEE C#CCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1648317976 JGRKOSDSJAUQSM-QGZVFWFLSA-N 407.471 1.487 30 10 HDEE Cn1c(=O)[nH]c(N2Cc3cnn(-c4ccccc4F)c3CC(C)(C)C2)c(C#N)c1=O 1651288409 KSJSRKWGLVEUHP-UHFFFAOYSA-N 408.437 1.859 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)c1 1651573808 CUGCTQVBIJOEFG-UHFFFAOYSA-N 417.487 1.431 30 10 HDEE N#C[C@]12CN(C(=O)c3cc4c(C(F)(F)F)cc(O)nc4o3)C[C@H]1CS(=O)(=O)C2 1653069167 KBSAYRYXQPQYBD-VXJOIVPMSA-N 415.349 1.563 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C[C@@H](O)c1cccc(C#N)c1 1654148608 FTMVWYKSSVYQJV-VQTJNVASSA-N 423.542 1.994 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1655061529 SOBSAHIXKHYGFI-IBGZPJMESA-N 412.408 1.827 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)CC1 1656502796 COVLRIPPBAAQKO-UHFFFAOYSA-N 422.869 1.961 30 10 HDEE CCCN(C(=O)CN1CC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1659524518 BXTSPPLJIIVXIT-QFIPXVFZSA-N 424.505 1.558 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1661950682 CJMZVDPHJUWAHW-NSHDSACASA-N 403.298 1.939 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(C)c(I)c1)C(=O)OC 1664367910 PVCJGPIRUIATCZ-GFCCVEGCSA-N 407.229 1.443 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N(CC(N)=O)Cc1ccccc1 1667203106 DQAFOTQSEYDNGW-UHFFFAOYSA-N 408.277 1.997 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H](CCc2ccccc2)C(F)(F)F)c(=O)nc1O 1670553577 COVWTBQEHRMJLM-CQSZACIVSA-N 409.368 1.683 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1670587926 HXZQNDPXJKSVMA-RTBURBONSA-N 424.519 1.324 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 1670652693 UCOVQWMKINJMOZ-HNNXBMFYSA-N 421.397 1.419 30 10 HDEE CC(C)(C#N)CNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1680005026 GJGPIQXFAQIBPW-UHFFFAOYSA-N 422.530 1.536 30 10 HDEE COC[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1685474464 HPDCYHQXBQGRAB-QGZVFWFLSA-N 408.524 1.493 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689979841 IDTYRDFVRSDKIK-NVXWUHKLSA-N 419.555 1.180 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn2ccccc12 1690003370 LPAJJCFUPMKEHT-JOCHJYFZSA-N 404.474 1.699 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C(C)C 1690043933 SZVJVRLEHBUWDT-UHFFFAOYSA-N 424.505 1.631 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(F)(F)Br 1690099942 RHDPWMKCPBNYLO-UHFFFAOYSA-N 403.231 1.752 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC2(O)CCC2)CC1 1690129479 YPJQPOKOOAQGNZ-UHFFFAOYSA-N 400.552 1.694 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC[S@](=O)C(C)(C)C)CC1 1690144382 XFQCFTZPPRHWAO-NDEPHWFRSA-N 405.568 1.669 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](COC(C)C)C1 1690169994 VOJZDPDMSVYSSU-INIZCTEOSA-N 402.524 1.732 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)CC 1690198557 SVQZVZPLXLJCAO-KEEVHDRGSA-N 424.534 1.682 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690437364 AQKSAQGIFFKPKF-OAQYLSRUSA-N 402.543 1.965 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690671328 UBZYUODRXUKJAK-IAGOWNOFSA-N 418.542 1.515 30 10 HDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCN(C)C 1693513228 TTYLIQLZEJUNIQ-UHFFFAOYSA-N 414.514 1.228 30 10 HDEE CC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1693924653 SWENBZGCEQKCPF-FXAWDEMLSA-N 415.567 1.971 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1696871776 QZZXFKAGUGDYMC-IRXDYDNUSA-N 400.483 1.598 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)c1ccco1 1702952795 IBFRBCXERVAULI-NRKLIOEPSA-N 401.463 1.239 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1705534405 HNXHHNJUDUHPKD-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1705534692 ONPSGWYROOLTOS-ZWKOTPCHSA-N 411.462 1.155 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705570838 SBOCMCIAWPCHPT-MRXNPFEDSA-N 423.583 1.266 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1705632604 WBHJOQAWTILXJD-UHFFFAOYSA-N 408.550 1.933 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1705669119 DCEQZESJZRYQDZ-GFRNBQLOSA-N 418.538 1.851 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1705676383 ZNUGIDQUGCKZSA-MGPUTAFESA-N 412.519 1.911 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCOC1=O 1712622913 XABPPCTVGUHOTP-JYJNAYRXSA-N 406.487 1.583 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@H]2CO)CC1 1712882547 IHPJDTIAUIGEDL-SFHVURJKSA-N 410.526 1.712 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1722353977 HABPOXZRGNIULZ-INIZCTEOSA-N 412.519 1.411 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)OC(C)(C)O2)[C@@H]1CCS(=O)(=O)C1 1722367800 XEJZVVGVQRVGNU-MRXNPFEDSA-N 416.503 1.769 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1722381309 NQEWOPFCYDFHFN-HXUWFJFHSA-N 402.502 1.360 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1722384490 WSIJVMHIQCMKAS-LJQANCHMSA-N 424.526 1.626 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1722717564 BYVCSILQPPKPGA-ZCNNSNEGSA-N 419.570 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc3ccccc3o2)n1CCNS(C)(=O)=O 1740682320 RBPZNOXGXWSNOK-UHFFFAOYSA-N 417.491 1.327 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1740817660 OQYZNYKLKRHLTP-GOSISDBHSA-N 404.559 1.810 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1740889905 SYAGWWZQWWPDCV-AZUAARDMSA-N 418.586 1.996 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2c(c1)OCO2 1740951208 TWJZCJCJKSFUIE-UHFFFAOYSA-N 414.466 1.084 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCSC1 1748655945 IWEBSEGUSYCHNN-IFXJQAMLSA-N 410.507 1.247 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1748790874 NZJXWXJJLMLWKB-AWEZNQCLSA-N 411.528 1.117 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748814897 LDLZNUYNZBAREP-KRWDZBQOSA-N 417.535 1.438 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818079 VGDPAQBHQUIBMT-ZWKOTPCHSA-N 424.567 1.471 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749132150 ZEDGJQZASOVWGO-MHORFTMASA-N 403.527 1.820 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1749155499 GRRVBAQNUWFQHG-CABCVRRESA-N 410.544 1.056 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749187400 HLWDLYISMAXCMA-CYBMUJFWSA-N 409.512 1.841 30 10 HDEE C[S@@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1 1750219212 HMXVOWDGYIQXIY-MUUNZHRXSA-N 404.540 1.442 30 10 HDEE CSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750333449 WMSVNJVRGMDJHZ-HNNXBMFYSA-N 413.507 1.517 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1 1760108880 MKVZUYQHOMFBBN-QGZVFWFLSA-N 401.511 1.954 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760185899 GRWRBSQNXRUEOD-YLJYHZDGSA-N 420.510 1.514 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H](O)C1 1760208890 MLDBCCHHQMOWFQ-MSOLQXFVSA-N 406.490 1.939 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCSC1 1760245298 YOJPZMKSJULQNP-HXUWFJFHSA-N 402.520 1.908 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC=C(c2ccccc2)C1 1760521640 ZJVYQDFCOCIILN-SFHVURJKSA-N 406.490 1.825 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CN3CCOCC3)C2)nnc1C(C)(C)C 1760528457 CSBGDWZIBXDHJF-KRWDZBQOSA-N 404.559 1.426 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760556014 SHFKLJRPBCWRQP-RDJZCZTQSA-N 412.556 1.777 30 10 HDEE CCCN1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1764487824 CTBIVVNJAZXYNN-JXFKEZNVSA-N 403.506 1.717 30 10 HDEE CCc1cnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)s1 1764581516 HDQDAKKHNWHCKH-RYUDHWBXSA-N 411.557 1.694 30 10 HDEE CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1768291490 PVWIJFDYVVFXKJ-MRXNPFEDSA-N 410.544 1.069 30 10 HDEE CN(C)C(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@](F)(C#N)C1 1768453788 TWAOGJSBLKOZDX-MRXNPFEDSA-N 424.278 1.576 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCC=CO2)cc1 1770738239 HEOUKOCLAPGPRE-FUHWJXTLSA-N 408.462 1.733 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1C[C@H](F)C1 1771112017 DCRKQXGKXQEWBE-BZUAXINKSA-N 413.519 1.685 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1772566859 UAPRGMQDZUYOJZ-QGZVFWFLSA-N 412.542 1.973 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)=NO2)C1 1772787411 IBCYDOYQAORSCO-FQEVSTJZSA-N 415.402 1.897 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccccc1OC(F)(F)F 1848669574 CWIZCXASUAWPFE-UHFFFAOYSA-N 413.381 1.756 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1848710273 OHBORQVFGSOSAH-UHFFFAOYSA-N 409.483 1.997 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@H]1CCN(C)C1=O 1849168408 YZGVXRVCHCMVGV-HNNXBMFYSA-N 411.549 1.394 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)CCN2CCCCO2)cc1 1851656921 BLRMLEMGKQCILP-HXUWFJFHSA-N 403.479 1.599 30 10 HDEE CCN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ncccc2C(F)(F)F)CC1 1851842453 PMXBHFCXSNHGDM-UHFFFAOYSA-N 407.400 1.734 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)COCc2nc3ccccc3[nH]2)CC1 1852177464 TXAHYGCDRPHDBZ-UHFFFAOYSA-N 420.473 1.712 30 10 HDEE COc1cc(C#N)ccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852957721 AHSQUTCDVCTMSB-GFCCVEGCSA-N 420.413 1.614 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)nc1 1853020141 FIHTXDZTKVZKRD-LJQANCHMSA-N 423.473 1.495 30 10 HDEE CO[C@@H](C)C(=NOCCCN1CCOCC1)NS(=O)(=O)c1ccc(C)cc1C 1853423000 MGUQFGZFNHKFJS-KRWDZBQOSA-N 413.540 1.669 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCOCC2)c2ccc(C)nc2)CC1 1853481183 YZMJOPYXVXIFEV-UHFFFAOYSA-N 408.524 1.429 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC2OCCO2)c2ccc3c(c2)OCCO3)CC1 1853508807 SICDDGYXYKQJGX-UHFFFAOYSA-N 424.475 1.537 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@@H]1C 1854310412 AJICIWDOZOWQAV-ZWKOTPCHSA-N 419.547 1.723 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CCN(CCOc3ccc(C)nn3)CC2)C1=O 1854335255 TYRMJFJXFMPOCW-SFHVURJKSA-N 401.511 1.265 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(c4cncn4C)CC3)C2=O)CC1=O 1854341903 IEYJOSBPMLFUGW-ZWKOTPCHSA-N 413.522 1.152 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)COCc3ccccc3)CO2)cc1 1854628067 AFYPIXZDMRVCNC-QGZVFWFLSA-N 402.428 1.623 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 1854642696 VJRHZCWVZMELHQ-CVEARBPZSA-N 404.536 1.547 30 10 HDEE C=CCN1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 1854881605 UGBSLKYVUXQREB-HNNXBMFYSA-N 403.504 1.756 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@@H]2CCOC2)CC1 1855862267 MCSIKVGCZKQOSI-HNNXBMFYSA-N 417.487 1.453 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C1(C)C 1856391421 ABBIUYDRCXIWJF-CYBMUJFWSA-N 402.520 1.404 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCCC3)C2=O)cc1 1856436240 HTOHIOKFUSKXOZ-UHFFFAOYSA-N 415.515 1.967 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(CCCC#N)C2(CCCC2)C1=O 1856517543 DKENAGNHSFHKEJ-INIZCTEOSA-N 410.540 1.088 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cccc(OC(C)C)n2)C1=O 1856757707 XWPHURFWPKJMSQ-ROUUACIJSA-N 414.506 1.719 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857281989 QAUOVQBEMKODMU-LSDHHAIUSA-N 417.897 1.900 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@@H]1CCN(C)C1=O 1857282268 UZBBXDZEMDVOJQ-JKSUJKDBSA-N 404.536 1.396 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1COCCO1 1857487429 ZODCTARPTGNALX-QGZVFWFLSA-N 408.476 1.104 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1858419817 PMSKNJOMDDYOMS-ZDUSSCGKSA-N 411.443 1.789 30 10 HDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870528794 HKDOXEXDGCJUKQ-UHFFFAOYSA-N 424.545 1.867 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871690632 HEVOFODGOFMWEA-UHFFFAOYSA-N 413.526 1.628 30 10 HDEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](CCS)C(=O)O 1885475697 JOKPXNFBJRKFCY-HUUCEWRRSA-N 412.508 1.986 30 10 HDEE COc1cc(F)ccc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889353208 YVTRMVVTSXXREH-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE CN(C(=O)c1ccc(S(C)(=O)=O)cc1Cl)C1CN(c2nccnc2C#N)C1 1891131924 MWCOFDAOQAFHLA-UHFFFAOYSA-N 405.867 1.366 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 1962800468 MDRDGYNQXGDUHE-CQSZACIVSA-N 401.504 1.801 30 10 HDEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2040503097 CWCKUXRPDMCXIF-FQEVSTJZSA-N 409.442 1.985 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046026891 VXSXSWWUBWQWIO-PJIJBLCYSA-N 410.467 1.640 30 10 HDEE C[C@@]1(NS(=O)(=O)N2CCC[C@H](C#N)C2)CCN(C(=O)OCc2ccccc2)C1 2054408922 XACWMWUTLGEJOS-IEBWSBKVSA-N 406.508 1.858 30 10 HDEE CCOC(=O)NS(=O)(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2157041853 PIFACLJCAWGMDT-UHFFFAOYSA-N 404.319 1.470 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 2174780532 VTEBSTVVKDUCLH-CABCVRRESA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)CC[C@@H](C)CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180116308 XWPCGZDCSCOCTB-CVEARBPZSA-N 400.541 1.966 30 10 HDEE CC(C)(C)OC(=O)NCCc1nnc(NS(=O)(=O)N2CCC[C@@H](C#N)C2)o1 2203633285 YBWBKQIOMKUISL-NSHDSACASA-N 400.461 1.029 30 10 HDEE C[C@H](NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1)C1(O)CN(C(=O)OC(C)(C)C)C1 2243432003 RQWKSRYKVZFIRI-MELADBBJSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684777 GTCPFTQGHVBHLX-NSHDSACASA-N 422.316 1.373 30 10 HDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247919202 SXSMUCAMNUOBJS-GXTWGEPZSA-N 420.319 1.694 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405851 UDPIGHCAAIPGRB-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCN(Cc2ccccc2)CC1 2255637558 DBQNOOFDARDSSZ-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2255835664 POYMPAWSXQWPRQ-VQIMIIECSA-N 424.354 1.970 30 10 HDEE CCS(=O)(=O)[C@@H]1CCN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C1 2282014441 GYRPCGIRFZUTKN-LLVKDONJSA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282308540 SKXVBSNERFXNQR-LLVKDONJSA-N 423.387 1.067 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1C 2282328790 CSNZAQASEFZYKD-JSGCOSHPSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CN)C2CCCC2)OC1(C)C 2282341849 YRGMMRXRNUMNBO-AWEZNQCLSA-N 400.375 1.843 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282347423 YBRAAMKJLBBGSM-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282416511 XBBGYPXWSQTSIV-SNVBAGLBSA-N 414.280 1.557 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@]3(C)CCNC3)ccc2Cl)OC1(C)C 2282490740 IRNJFQWLOWHTIB-QGZVFWFLSA-N 400.737 1.670 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N(C)[C@H](C)CS(C)(=O)=O 2282653808 XYEIKYDQZBUSKU-LLVKDONJSA-N 401.359 1.861 30 10 HDEE CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282830644 XRPVZPGPPONDEN-JTQLQIEISA-N 402.709 1.052 30 10 HDEE C[C@@H]1O[C@H](C)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834274 RILPQVALNWHCOX-GRYCIOLGSA-N 402.347 1.428 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845864 ZXPJVAXSZTUDLK-GFCCVEGCSA-N 402.347 1.189 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](CN)C(F)(F)F)s2)OC1(C)C 2282849462 BPZAVLBZUGBXBF-VIFPVBQESA-N 414.280 1.463 30 10 HDEE CC[C@@H]1CNCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852961 WUTSXZUJNHLKIF-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CNC[C@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855937 LEPZIPORVOPFLC-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCOCC(F)(F)F)s2)OC1(C)C 2282865882 ZWIBWHYEKLUQGW-UHFFFAOYSA-N 415.264 1.905 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCNC1 2282890413 ZZZVTQPAXJJUGG-STQMWFEESA-N 400.375 1.465 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284395449 LLLKHQWKDLXNQL-JTQLQIEISA-N 404.319 1.115 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)O)OC1(C)C 2284400469 WIMITRCTZCIOPB-KOLCDFICSA-N 405.278 1.233 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284403743 UHQNJYWNBWAQCE-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NO[C@@H](C(=O)O)C3CC3)s2)OC1(C)C 2284415915 RLSUSNXBEOKZGL-GFCCVEGCSA-N 403.287 1.120 30 10 HDEE CN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C1(C(=O)O)COC1 2284481888 PQBZVGVKMMSZPV-UHFFFAOYSA-N 401.677 1.626 30 10 HDEE CC(C)(CN)OCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2295775363 HJLUGXKRKVFYOO-UHFFFAOYSA-N 404.363 1.080 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)C2(O)CC(NC(=O)OCc3ccccc3)C2)CCC1 2319402174 XLUUZQQMIPDZRG-OHTSDLOESA-N 406.504 1.104 30 10 HDEE CCc1csc(C#C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2338637883 MFXPVHPWDIXKDG-DZGCQCFKSA-N 400.522 1.356 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NCC[C@H]2CCCS2(=O)=O)OC1(C)C 2362497509 AWRAEKPABCURFQ-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC[C@@H]1NC(=O)OC(C)(C)C 2365213686 XWDHMNCYMHHRJT-VCBZYWHSSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367800576 KWRNCKSFMJEPCO-CVEARBPZSA-N 402.557 1.865 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)OC3CCCC3)n2N)cc1 20913899 NPJPVXZXUKJQKG-KEBDBYFISA-N 418.479 1.802 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)c1 31806359 YQGUKYLRWRQTRO-INIZCTEOSA-N 408.458 1.412 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)c(Br)s2)CC1 321669428 LNMMFNJLQAFUFP-UHFFFAOYSA-N 422.370 1.428 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 409485551 MUXRYTSALQPDHT-CQSZACIVSA-N 415.357 1.903 30 10 HDEE CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)cc2)CC1 443317000 WXVPCNSUEZMPAO-UHFFFAOYSA-N 411.506 1.459 30 10 HDEE COc1cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(OC)cc1Br 444066863 VKKFIHQTUHKOBY-AWEZNQCLSA-N 405.270 1.769 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)N4C[C@@H](C)O[C@H](C)C4)no3)cc2C1=O 445399273 AYQVVVBQBVKKRM-CHWSQXEVSA-N 410.430 1.697 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447263269 IBAPDQXEZSEBLW-UHFFFAOYSA-N 414.437 1.275 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC 447788390 UWMUVAYOAIWCHG-UHFFFAOYSA-N 421.526 1.535 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H]1[C@H](C#N)c1ccccc1)c(=O)n2C 464818920 AEYOJQBNQDOMCI-QZTJIDSGSA-N 406.490 1.596 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)s1 497772343 CVYJMUHXJZJNAY-UHFFFAOYSA-N 419.532 1.204 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 501984300 DASRNRCWCYRPQF-UHFFFAOYSA-N 417.512 1.465 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508913755 QIFHPVVLDMMMRZ-NRFANRHFSA-N 405.462 1.886 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccn2)CC1 509724193 JXOWNYYSSYLHTF-HXUWFJFHSA-N 418.501 1.630 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1C 515165371 AOFXIAZVQWQQQD-UHFFFAOYSA-N 420.450 1.365 30 10 HDEE Cc1csc([C@H](C)NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 521924196 IOJCWCQSBVACCO-XJKSGUPXSA-N 411.487 1.812 30 10 HDEE COc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCCC1 539503769 OITKYWLOGASURZ-CYBMUJFWSA-N 418.479 1.533 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N[C@@H]3CCC(=O)NC3=O)s2)cc1 541086374 DFRUWNKOVXXITP-LLVKDONJSA-N 402.461 1.629 30 10 HDEE C=CC[C@H](CO)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 541533870 FJZLFUIMPGJHED-LJQANCHMSA-N 409.552 1.985 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN3CCOC[C@H]3C2)nnc1-c1ccco1 541755406 OSKDEANQORNHMC-OAHLLOKOSA-N 403.508 1.749 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2C1=O 546169376 QDVMXWACBFNGCC-UHFFFAOYSA-N 401.426 1.698 30 10 HDEE COC(=O)CC1(NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCCC1 548099006 IFMNURUTMATLKS-MRXNPFEDSA-N 404.536 1.922 30 10 HDEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 549689049 WIBGXRAUGKIJRG-IBGZPJMESA-N 410.522 1.758 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 549691524 IOVBTIZQYSIXES-HOTGVXAUSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCOC2)CC1 550089462 NLXADJVRCBUTTP-QGZVFWFLSA-N 402.543 1.396 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2)o1 555165330 HSJBFAAHMAUQTG-SJLPKXTDSA-N 402.495 1.755 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(OC(F)F)c1 556581451 UODOLIZLZWMQEL-NSHDSACASA-N 410.402 1.538 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN2CCCC2)CC1 558994784 KGRIQHYBHLHDHS-INIZCTEOSA-N 410.588 1.777 30 10 HDEE Cc1cc(C#N)nc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 582910267 GZRDEQCPYDLCIR-UHFFFAOYSA-N 402.436 1.295 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(CCO)CCOCC3)CC2)cc1 613241515 ZIMIQYBHCXYONT-UHFFFAOYSA-N 421.519 1.007 30 10 HDEE Cc1ccn2ncc(C(=O)OCC(=O)Nc3c(C#N)cnn3-c3ccccc3)c2n1 727929196 KTOZHZQBDLOAKW-UHFFFAOYSA-N 401.386 1.891 30 10 HDEE CN(C[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732468160 DWMBCSMOHGSQKK-UVTIVQHFSA-N 421.498 1.411 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732652143 OXYSAXFPFVGHNZ-IBGZPJMESA-N 416.547 1.595 30 10 HDEE N#C[C@H]1CN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCN1C1CC1 732675583 ZUDBKBFVHVJJJW-QFIPXVFZSA-N 410.566 1.576 30 10 HDEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)COC(=O)c1ccc(C#N)nc1 734599604 LQORANGMGQXVAC-UHFFFAOYSA-N 410.430 1.996 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C)c2=O)cn1 735068869 HCGSHHHYNSWEKR-UHFFFAOYSA-N 407.499 1.219 30 10 HDEE CCN1CCN(c2ccc(C(=O)OCC(=O)N(CCC#N)CCC#N)cc2F)CC1 741344712 YVVIMAVFBRXPKA-UHFFFAOYSA-N 415.469 1.780 30 10 HDEE NC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1Cl 746236315 FUIAOXVEFPFFIT-HDRCJFCASA-N 404.854 1.017 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 748738027 CCDYDRZYCMCBJU-UMIVRTMYSA-N 410.474 1.572 30 10 HDEE Cc1cc(=O)n(C)cc1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 754345473 DBDXUPODRBTZBZ-UHFFFAOYSA-N 416.503 1.931 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CCN(C3CC3)[C@H](C#N)C1)=NO2 760324138 YPBCKMONIYJAAQ-MRXNPFEDSA-N 417.510 1.731 30 10 HDEE C#CCN(C(=O)c1c(F)cccc1I)[C@H]1CCS(=O)(=O)C1 760521713 VZKARIKZGOJQTI-JTQLQIEISA-N 421.231 1.693 30 10 HDEE COc1ccccc1NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635136 GJSAGLALTKSWBS-CYBMUJFWSA-N 417.443 1.416 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 768666596 UPDHFIOZGMWQTP-ZETCQYMHSA-N 403.279 1.761 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCOCC2)c1C)[C@@H]1CCS(=O)(=O)C1 774027638 HCZGYFNRYXQNNZ-MRXNPFEDSA-N 419.503 1.122 30 10 HDEE C#CCN(C(=O)Nc1cccc(-n2nnnc2SC)c1)[C@@H]1CCS(=O)(=O)C1 774034237 UVLILGLJACQRKB-CQSZACIVSA-N 406.493 1.038 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774158482 WMDXOFLNSXXFQE-IAGOWNOFSA-N 420.922 1.995 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)c(C#N)cn1CCOC 775767847 UJGOMDJETFRNIH-CQSZACIVSA-N 419.438 1.241 30 10 HDEE N#CCn1cc(NC(=O)C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cn1 781980756 NYXUMSFWVCVUHP-UHFFFAOYSA-N 404.434 1.969 30 10 HDEE C[C@H](CC(=O)Nc1ccc2ccc(=O)n(C)c2c1)/N=C1/NS(=O)(=O)c2ccccc21 785411920 YHHWRBYCRICYJR-CYBMUJFWSA-N 424.482 1.994 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)cn2)n1 788695232 HMGNVKOUTUBYBB-UHFFFAOYSA-N 413.297 1.511 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(C)=O)cc2F)n1 788695547 STZOJRSXNBQXGB-UHFFFAOYSA-N 408.455 1.451 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)[nH]c(-c3ccncc3)nc2=O)n1 790106147 STSVUYQFSFQHET-UHFFFAOYSA-N 420.473 1.188 30 10 HDEE C#CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 795466307 AMKFYPVAUWKEDW-QGZVFWFLSA-N 403.479 1.563 30 10 HDEE CCCn1nc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C)c2ccccc2c1=O 800728492 QXVBVAWLSYWNFJ-INIZCTEOSA-N 418.505 1.779 30 10 HDEE C#CCCNC(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 801753658 NZXBCZXMPJIMGU-UHFFFAOYSA-N 402.499 1.941 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)CC1 802376981 XUWUDUIFMQWVDD-LJQANCHMSA-N 413.522 1.426 30 10 HDEE COC(=O)C1=C(COC(=O)c2cc(C#N)ccn2)N(C)C(=O)N[C@@H]1c1ccccc1 803848786 JIOCXSYMNSMTIV-GOSISDBHSA-N 406.398 1.933 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2COCCO2)n1CCOC 812088530 MQYZCQULGIAENS-SFHVURJKSA-N 401.467 1.537 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 812355167 XKOOSNCFTNFNMB-UHFFFAOYSA-N 405.480 1.205 30 10 HDEE C[C@H](O)[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)C(=O)OCc1ccccc1 816748308 WFOZADHBOVEGRJ-YWZLYKJASA-N 404.426 1.967 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2CN(C)C[C@H]21 816950659 XPFFETYLANLYOS-HYVNUMGLSA-N 404.536 1.446 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[C@](C)(C#N)C1 1131512641 JHTOHBAOROLJOH-HXUWFJFHSA-N 420.535 1.397 30 10 HDEE N#Cc1ccc(C2(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CCOCC2)cc1 1132134846 YCDYYLRYPQMYAJ-UHFFFAOYSA-N 412.471 1.178 30 10 HDEE C#CC[C@]1(C(=O)Nc2ccc(S(C)(=O)=O)nn2)CCCN1C(=O)OC(C)(C)C 1132967440 MYWXGRUJNILMAX-GOSISDBHSA-N 408.480 1.612 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1c(F)cc(C#N)cc1F 1142427073 YCKLCVHZPALYJN-UHFFFAOYSA-N 424.385 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCOC[C@@H]3C#N)nn2)CC1 1146516428 CXHXFFUODNOSLF-GJZGRUSLSA-N 404.471 1.605 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)c1=O 1156679270 MNBAQKJKWHRRDI-UHFFFAOYSA-N 408.414 1.411 30 10 HDEE CC(=O)Nc1ccc(S[C@H](C)C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1159489562 HDIPUDPFYVJGOK-LLVKDONJSA-N 413.459 1.343 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@@H](C)COC 1166477019 JPWNLZAOYJATHJ-JTQLQIEISA-N 411.343 1.838 30 10 HDEE N#Cc1ccc(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1166517772 GHFHQMVDXWLBFG-GUDVDZBRSA-N 417.531 1.327 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(NS(=O)(=O)C(F)(F)F)c(C)c1 1171919701 GICUNSKHUKWMIF-UHFFFAOYSA-N 407.370 1.785 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)c(=O)nc1O 1175098122 QAMQGENTWGTGRL-UHFFFAOYSA-N 401.448 1.221 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)CC2(C#N)CCCCC2)C1 1191466055 LUSWIAXWVRLLJT-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1195953888 DQVSGOXPCOYXOX-LJQANCHMSA-N 421.563 1.612 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](Nc3ncccn3)C2)CC1 1198479367 QBXUYONGEBFHSZ-DLBZAZTESA-N 411.535 1.433 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 1215390204 YKUMNYJWJNPBTG-LJQANCHMSA-N 415.490 1.998 30 10 HDEE COCCOC1(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CCOCC1 1251244183 SHXJGVBSLHODDT-UHFFFAOYSA-N 402.495 1.602 30 10 HDEE CC(C)(C)O[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1252213172 HHDHIVJWLDQXFV-CALCHBBNSA-N 420.535 1.920 30 10 HDEE CSc1nn(-c2ccccc2)c(NC(=O)CN2CCCCS2(=O)=O)c1C#N 1264259013 ARSSSVJCAUOFBL-UHFFFAOYSA-N 405.505 1.830 30 10 HDEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cccc(F)c1 1281733898 ZMUJSBKTFDKMEY-OSFNYYGPSA-N 414.477 1.862 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1286376190 HGVQKZXOCYBEOA-RXVVDRJESA-N 424.549 1.886 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286384696 JPTCXUJKUKOBLN-OALUTQOASA-N 419.526 1.655 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCCC 1286423340 RUBUMALMNQIXQW-NRFANRHFSA-N 401.511 1.308 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1286438351 YBSZTFOZIGTAEO-APWZRJJASA-N 410.540 1.357 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1286448191 RBAOINDORKVWGH-SFHVURJKSA-N 415.563 1.948 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCSC2(C)C)CC1 1286480235 SVFMFDGWQWBKEE-CVEARBPZSA-N 402.568 1.516 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(CC)CC)nc2)CC1 1286480655 OOMNPBFOTFJTLB-HXUWFJFHSA-N 423.565 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N(C)C2CC2)CC1 1286494167 JYANXMULXCDUBA-VQIMIIECSA-N 414.554 1.578 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1286611938 RRUMNXYPDMXFDE-QGZVFWFLSA-N 404.515 1.098 30 10 HDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286830284 QMYBEGUFXCEYPO-MRXNPFEDSA-N 412.519 1.011 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1287460400 CYFVXAXSYJFUIJ-MRXNPFEDSA-N 406.280 1.759 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1C[C@H](F)C1 1288161199 ZWVWORSNOJLJFP-ZOBUZTSGSA-N 403.506 1.731 30 10 HDEE Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)ncc1C#N 1295970469 GFYUWFRYDOTINJ-UHFFFAOYSA-N 402.432 1.241 30 10 HDEE CCOCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC1(O)CC1 1297271701 KZUZEVWDUJAQJH-UHFFFAOYSA-N 400.458 1.677 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1298544293 GRBWHCYZENVFGC-GOSISDBHSA-N 422.493 1.911 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCNS(C)(=O)=O)CC1 1301058817 HKPUDTWBNWIMJK-UHFFFAOYSA-N 412.560 1.292 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCN(CC)CC2)CC1 1301120386 PIVXPUNLEWOIMD-LJQANCHMSA-N 415.586 1.659 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cc(F)cc(F)c2C1 1301497387 VEXRGAYRVREYDA-UHFFFAOYSA-N 411.416 1.878 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1301509558 JAMFXVOFEUHCGW-BBWFWOEESA-N 400.527 1.718 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C 1301519247 NWPXDJTZWVVODD-INIZCTEOSA-N 402.543 1.620 30 10 HDEE Cc1ccc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)cc1S(=O)(=O)NCC#N 1302177574 GUAZQUZTKWJIQJ-LJQANCHMSA-N 412.515 1.454 30 10 HDEE C[C@](O)(C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1cccc(C(F)(F)F)c1 1302291104 ARWDQIXOAXQZAP-QGZVFWFLSA-N 409.368 1.983 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1302643990 IXNVNJOTYBYEKS-UHFFFAOYSA-N 423.399 1.615 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCN(C)C1 1302907026 FDXFIUXHJMZNPC-NRFANRHFSA-N 411.510 1.078 30 10 HDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NCC1(C#N)CCOCC1 1305277184 WAPRMJMQVANGGO-INIZCTEOSA-N 420.491 1.883 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c(Cl)ccnc3Br)C2)c(=O)nc1O 1305590381 GAGYZIILPFEFJL-UHFFFAOYSA-N 410.615 1.329 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CC1 1312542608 GVUQYWWNDRNTSI-AQFXKWCLSA-N 423.477 1.717 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1316026729 GKVWKJCMYOCNNF-LJQANCHMSA-N 414.510 1.651 30 10 HDEE COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1316074145 QAACHGCLFBSFHP-OAHLLOKOSA-N 420.464 1.454 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1316347483 GBQMWJAIKCLFFE-ROUUACIJSA-N 415.519 1.867 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)C1 1316526761 QQOBQRVRGYTNKO-HXUWFJFHSA-N 417.489 1.262 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n(C)n1 1318823990 HKBUMLLJECZJGD-NVXWUHKLSA-N 407.430 1.302 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(I)cn3)CC2)nc1 1351288303 SLLNKEGBDMGXHK-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1359010363 NGWPRHCDULFAMX-HOTGVXAUSA-N 402.524 1.099 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1nnnn1CC1CC1 1359011328 UBVHLDNFKGLQBQ-UHFFFAOYSA-N 406.494 1.782 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)N(C)C 1359023841 YFNZUDATRIGXIF-IRXDYDNUSA-N 416.551 1.680 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1359040543 ZMPWTFFHJCLNBH-ZVVDCOBXSA-N 417.554 1.308 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359198757 ZJNXCWKTQXLGQT-HRCADAONSA-N 424.571 1.302 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1359243485 SYYRICCPQDALPR-UHFFFAOYSA-N 412.538 1.686 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CCC(=O)N1CCOCC1 1359280280 KWOSIWHJRGRVLD-UHFFFAOYSA-N 402.499 1.171 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)NC)C1 1359323035 GYAGEBHTXPDRRL-SFHVURJKSA-N 419.551 1.508 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1359785866 CAPKQOALBQFTDD-RAJOGRCSSA-N 402.499 1.618 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1360474763 VKFIZUSJZNNMJW-CABCVRRESA-N 416.482 1.940 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)C2)nc1 1456063459 NAJFLPLIVCFYPW-CQSZACIVSA-N 419.894 1.971 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)[C@@H](C)CC#N 1463424055 ADBVEHJSFZAQHN-HNNXBMFYSA-N 408.524 1.396 30 10 HDEE C=C(CCN(C)C)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1 1463810233 NKFBLNYMZCCIJG-UHFFFAOYSA-N 411.524 1.553 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OCC 1464378907 FHDDAGGULSUWGN-CQSZACIVSA-N 404.510 1.079 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464924252 KCHLJLCPPRSHQX-RIBQPWQFSA-N 406.483 1.665 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1465708991 KWGFXRVUQSLBIA-STQMWFEESA-N 414.890 1.517 30 10 HDEE C=CCCC[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1466907172 XSMFVVOJOONZML-SFHVURJKSA-N 411.506 1.615 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C#N)CO 1468042905 GMVDVVHQNOJVOX-RDJZCZTQSA-N 407.517 1.240 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1469674092 HYSCRFGQKDHQRU-HXUWFJFHSA-N 412.534 1.914 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(C3(O)CCOCC3)CC2)ccc1F 1471949110 XGDRQGXPTKUAKN-UHFFFAOYSA-N 412.483 1.342 30 10 HDEE CC(C)O[C@@]1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1471998388 QKIYVTWUKGBGHE-AUUYWEPGSA-N 409.508 1.204 30 10 HDEE C[C@@H]1[C@H](O)C[C@H]2CC[C@H]1N2CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1473685731 OLTZBFXUTMXTGQ-FYIGHOIKSA-N 400.498 1.768 30 10 HDEE CN(CCCNC(=O)CN[C@H](c1cccc(C#N)c1)C(F)(F)F)S(C)(=O)=O 1473742797 YCSOTZNHIRIEDM-OAHLLOKOSA-N 406.430 1.149 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1478655713 JDKMPUBQMOKDMW-OAGGEKHMSA-N 423.510 1.962 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1478779540 DBPHVRILZKMXDH-QGZVFWFLSA-N 416.478 1.967 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 1479563822 OKNZRIXJAUUGPI-OKZBNKHCSA-N 400.504 1.786 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2conc2COC)CCOC1 1502628289 OOWXMLONBSTDHY-AUUYWEPGSA-N 404.471 1.709 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)CC1 1505326273 NRFJGHRBRWFTBU-UHFFFAOYSA-N 414.535 1.919 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507576653 YXAMWPJFDSDLNG-UTKZUKDTSA-N 403.527 1.789 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507637750 MWZDJRAGIQLUFC-HZPDHXFCSA-N 412.556 1.502 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1507752543 ATGVEDFIBOPKMV-CALCHBBNSA-N 404.540 1.356 30 10 HDEE C#CCSCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1507758051 HCGZFRBAAWKVTC-OAHLLOKOSA-N 418.567 1.709 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507782522 IUNRPKVUUVNHPC-DGCLKSJQSA-N 423.271 1.004 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1507840236 KIRWVAVKWRLEGA-MRXNPFEDSA-N 413.478 1.968 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC(C)(C)C2)CC1 1507884838 MWPKOMKGYZIRFN-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCOCC2)CC1 1507906455 IVCNHNVSHUDYOE-WMZOPIPTSA-N 402.543 1.600 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1507955231 WTFQZYNTCJNWGR-INIZCTEOSA-N 409.512 1.807 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1507977635 NQOPOUHSRVUFER-UHFFFAOYSA-N 415.542 1.571 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCC2)C1 1508094366 XNAYLMPCTIGBMA-OAHLLOKOSA-N 407.540 1.253 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@H](F)C2)C1 1508116597 RXLBKBSZABUANU-YHUYYLMFSA-N 415.535 1.808 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCCS(C)(=O)=O 1508407138 PYEXMNJPQHSRFV-HNNXBMFYSA-N 410.544 1.325 30 10 HDEE CC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)c2C#N)C1 1529882482 HFATZOSESZZKNW-GWCFXTLKSA-N 409.533 1.622 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1538976403 LNRJCMULVWWNJP-QKLQHJQFSA-N 404.511 1.931 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCCS1(=O)=O 1539167589 GXRPZXCZOMIHEO-UHFFFAOYSA-N 412.519 1.542 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539212194 SXDHQWMBCTUZLB-GOSISDBHSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC[C@H](C(F)F)N1CCOCC1 1539257965 YAXCZUVVGIRPNT-QGZVFWFLSA-N 416.476 1.712 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539318923 ZURRNUYBZPPXIA-UHFFFAOYSA-N 411.531 1.965 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1539416377 MYYHUEWSDQKCPB-QGZVFWFLSA-N 418.519 1.320 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCCCC2)CC1 1539476261 TZVQAEWLFWHSHD-UHFFFAOYSA-N 421.549 1.792 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2c(c1)OCO2 1541657215 DFEREMCNOBFOLB-IBGZPJMESA-N 400.414 1.635 30 10 HDEE CC(=O)NC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1544160935 FADCRVHQQLBWNA-CXIVCQEWSA-N 420.510 1.137 30 10 HDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1548234565 JYCCDLHIVZYLLS-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1555777389 PJJWNSPHRMBVOA-WIYYLYMNSA-N 413.478 1.759 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1557382459 PFYYVWDGKNOOBB-WMZOPIPTSA-N 421.538 1.639 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)cc2C(=O)OC)n1 1561531465 IQZAIGXIGAMFTQ-UHFFFAOYSA-N 421.475 1.149 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)OC 1561829668 RWXLJAXBJQSTJC-LLVKDONJSA-N 418.269 1.817 30 10 HDEE C#Cc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1 1562251624 CDYDXFPZUYASJV-UHFFFAOYSA-N 412.515 1.926 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3CCCOC3)CC2)cc1 1565125990 BCOHUQGNQHWMKZ-QGZVFWFLSA-N 406.508 1.391 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1 1565630340 XWEDIROQMMHKRQ-DPPKGPFUSA-N 400.454 1.823 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3C(=O)CCCC3=O)C2)C1 1565895156 HYBGMKQTOWVOAY-DBWCEAHUSA-N 418.494 1.429 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccs2)c1 1566156240 OTUXNXJDAIJDLA-QGZVFWFLSA-N 402.497 1.858 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@H](CN3CCOCC3)C2)cc1OC 1586248562 NEMDLGUALZQMOI-WSSFADSRSA-N 402.491 1.833 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1587739053 OZDVERWNFCUYPU-INIZCTEOSA-N 419.493 1.391 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1587842939 XKBSHNDTNYWGMC-FXAWDEMLSA-N 422.537 1.137 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1588059781 UWVSYQFRBOBJBP-ZWKOTPCHSA-N 405.568 1.484 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588059828 VWTVSEXWWMCHAV-GOSISDBHSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC1 1588158836 KLAXKIDIJOEVPB-UHFFFAOYSA-N 407.522 1.077 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCn2ccnc21 1588159217 SNAAEDAHZLWERO-IBGZPJMESA-N 402.506 1.987 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2COc3ccccc32)CC1 1588733612 WLSVUOHYCNLSDE-KRWDZBQOSA-N 408.506 1.348 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOC(C)(C)C)CC1 1588805970 DQYODONMABCTQG-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(CC)c1 1588967882 CFBXJTMCUZBEGQ-UHFFFAOYSA-N 401.540 1.733 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1594096495 BYOLNPGWUABPCO-UONOGXRCSA-N 402.467 1.761 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1594753755 DFVBADDNZIRDQE-SJORKVTESA-N 401.467 1.284 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1594798329 QCWBXMUQIOQUIZ-KRWDZBQOSA-N 412.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 1595556522 WTRBDDSMASUBDM-OAHLLOKOSA-N 406.531 1.884 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1595608772 XMLMMXGQKJQFJT-FAJBIJEISA-N 419.526 1.452 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C#N)C1 1596359107 UOYWYXGAHCAFSS-HZMVEIRTSA-N 404.511 1.900 30 10 HDEE CC(C)c1nnc(N2CCCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1602767178 UGYRCQNLLPMPHA-CZIZESTLSA-N 415.542 1.848 30 10 HDEE CC1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611788932 AHKPGCCQXRSNCO-DXQAYGFFSA-N 414.510 1.935 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@@H]2C(C)C)CCOC1 1616261198 HCFUONOUEFDMCI-NEYJZJCJSA-N 419.526 1.720 30 10 HDEE COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619776017 YQHJQWZAOSWYAU-MMOPVJDHSA-N 418.542 1.136 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCOC1 1619899591 CECALHWQIWXMKJ-RTBURBONSA-N 424.505 1.790 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 1622584587 QVBVVPRMOFRVTR-UHFFFAOYSA-N 415.309 1.596 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc(C(=O)OC(C)(C)C)o2)CC1 1623498965 LEHFKFWLSNRPKH-CLFYSBASSA-N 401.463 1.142 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Cl)n1 1624067218 JBROTSWHRSXSIV-UHFFFAOYSA-N 420.878 1.762 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)c1 1627461866 SIQLCGMVAZIMAB-INIZCTEOSA-N 413.434 1.803 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1628628900 WCSJNMMTVRGGKN-HZPDHXFCSA-N 404.467 1.466 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(OCC(=O)N(C)C)c2)CC1 1629787211 HNSFDBOBMYWIBI-UHFFFAOYSA-N 402.451 1.142 30 10 HDEE C=CCN(C(=O)c1c(Br)nc2n1CCCC2)[C@@H]1CCS(=O)(=O)C1 1630846833 DXCMLBCZKGNWHD-LLVKDONJSA-N 402.314 1.797 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 1631479869 NQNHBSCDNJCEKG-OAHLLOKOSA-N 420.514 1.347 30 10 HDEE COc1cc2c(cc1CNC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)O[C@@H](C)C2 1633364519 RZRQLXBIELPUDT-VRHCTWJESA-N 405.476 1.098 30 10 HDEE C#Cc1cccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 1636157804 GDKZAWNENHALPE-UHFFFAOYSA-N 416.459 1.696 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1N)OCC 1636288772 LWSUFWNMJZVVGO-GOSISDBHSA-N 413.478 1.950 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 1638449059 RFXCUUDFJQWOGE-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)cn1 1640012770 KYUQZQVTWJDUGL-UHFFFAOYSA-N 410.883 1.024 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C 1640916387 OPVDJXVNEMGCSZ-JKIFEVAISA-N 421.519 1.946 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](O)[C@@H]1CCCO1 1641442030 KFUWZVHGTUHQAI-KGLIPLIRSA-N 413.268 1.754 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)/C=C/c1ccccc1C#N 1641580571 YJFPXMXZGVZNGS-MHNQQFQPSA-N 401.463 1.686 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](Cn1ccnc1)c1ccccc1)c1cc[nH]n1 1643524662 IYEKNUKAUGMABZ-QGZVFWFLSA-N 410.434 1.448 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C3CCOCC3)ns2)cc1 1643649991 OWAFFMBVPNAQGN-UHFFFAOYSA-N 406.489 1.596 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1644112289 HZABZAVAKWAEQO-LJQANCHMSA-N 409.508 1.407 30 10 HDEE COC(=O)CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 1645105687 FWHUDZRULRMAJQ-CQSZACIVSA-N 407.492 1.559 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1645728408 XNEANHKNRVJDFM-HXUWFJFHSA-N 409.442 1.905 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(CN4CCOCC4)cn3)CC2=O)cc1 1648697525 ZLQNCHDLQDDLMS-GOSISDBHSA-N 405.458 1.777 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1=O 1652960685 ZBYNNRXXFWAOCN-UHFFFAOYSA-N 416.743 1.185 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccn4cc(C(F)(F)F)nc4c3)C2)c(=O)nc1O 1653759582 CXKQGEHDAMGKBD-UHFFFAOYSA-N 404.308 1.184 30 10 HDEE COC(=O)[C@@H]1C[C@H](OC)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1654752379 FKILMMRIIOEPOQ-RISCZKNCSA-N 417.281 1.662 30 10 HDEE C#CCC1(NC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CCOCC1 1659634114 LKNUMVAZZMMOME-UHFFFAOYSA-N 401.463 1.618 30 10 HDEE N#C[C@]12CN(CC(=O)NCc3ccc(F)cc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1660452636 JJQYENVONNBLOY-BLLLJJGKSA-N 419.400 1.331 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1Cl 1665174512 FCOHKLAEPLLLBP-MRXNPFEDSA-N 412.943 1.287 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CCN(C)C)c2cccnc2)c1 1666272577 XDIOXDIHQPXIHL-LJQANCHMSA-N 402.520 1.969 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1677656527 HWLICDVSMUMPQO-MJGOQNOKSA-N 420.535 1.723 30 10 HDEE CC(C)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](O)C(F)(F)F 1681225941 AAQRIXKGIXTSLR-VOAKCMCISA-N 408.421 1.992 30 10 HDEE Cc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 1685107152 RHODHVGNLSLTSZ-GOSISDBHSA-N 408.458 1.991 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC(CO[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1685832154 OXLWOHMHAPDDOQ-IBGZPJMESA-N 422.570 1.999 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1)C1CCOCC1 1687127037 ZZILCISDAQDFRI-HXUWFJFHSA-N 406.571 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@@H](C)C1 1689827474 FSCYSVTWZMQZFU-SQNIBIBYSA-N 424.615 1.858 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689934434 WBLHYRVXZWMBFP-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(F)(F)F 1689951264 QWVJSWSLZWYYSV-UHFFFAOYSA-N 401.414 1.827 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689992068 GQOJTYOMFMFIGX-JENIJYKNSA-N 408.568 1.918 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)c2ccccc2)CC1 1690109202 KAISZLOTNMFROF-LJQANCHMSA-N 410.522 1.559 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(O)cc1 1690206169 IVOZHQJFECJVCQ-OXJNMPFZSA-N 400.504 1.926 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690230483 FQSVGDQXKZMTEQ-SFHVURJKSA-N 417.311 1.889 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690315821 NMOAVPSUIZGSFQ-JOCHJYFZSA-N 423.521 1.811 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnn(C)n1 1690567426 CPIJISUQHGLRQH-HKUYNNGSSA-N 424.509 1.767 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCNS(C)(=O)=O)C1 1690689627 IKHFSADQIAZYDL-SFHVURJKSA-N 419.551 1.838 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690749654 LDYRTLAVNURBSZ-OKILXGFUSA-N 421.548 1.750 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1691371155 NYGGSEVKBLAYNT-DOTOQJQBSA-N 410.478 1.214 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(N(C)C)CCSC1 1692511452 ACZCIYHYKFTPSZ-IBGZPJMESA-N 405.572 1.594 30 10 HDEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1692564702 LOBCVAXXXVPMSU-HXUWFJFHSA-N 413.482 1.660 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1696948818 BJCLINGAEBPUKY-INIZCTEOSA-N 405.462 1.739 30 10 HDEE C=CCCCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)[C@H](C(F)(F)F)C1 1703050210 KQICHEWUOXKQON-DEQQHWRFSA-N 404.429 1.900 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1705539770 BEZDVLZZXWNBOL-UHFFFAOYSA-N 400.527 1.229 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 1705555235 DXPHFSSMRJCEOO-KRWDZBQOSA-N 415.611 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccco1)N1CCCC1 1705572148 SCRQLYGLOQGURF-SFHVURJKSA-N 408.506 1.919 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(C)C)CC1 1705636523 NJNSFPNMOGOWGL-UHFFFAOYSA-N 405.510 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1705924283 BROQLBJHZDWSLN-GUDVDZBRSA-N 403.527 1.822 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](CCOC)C1 1705932669 XQEGGYFHTPINLR-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705937416 SQHWPZJGZJEQAL-BEFAXECRSA-N 410.540 1.216 30 10 HDEE Cc1ccccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C 1707646427 CFHTWDCZLZOFHL-UHFFFAOYSA-N 417.473 1.877 30 10 HDEE CCCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709671418 GHIFIBVQTGWXEQ-SFHVURJKSA-N 415.542 1.507 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1710305079 BMZPDYXMUAVTDI-UHFFFAOYSA-N 403.531 1.709 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)C[C@H](C)O1 1712288953 VIMOXWANJKZRRJ-ZYSHUDEJSA-N 413.478 1.472 30 10 HDEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1712620120 BONBSZVIJXLWEH-UHFFFAOYSA-N 411.510 1.487 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722360464 IAWSRKCQVZWMKZ-HNNXBMFYSA-N 405.524 1.071 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1722415249 KMNNXFJPHWNCTO-UHFFFAOYSA-N 413.478 1.184 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCSCCCO)CC1 1722439835 REGKPYAWNOXPLJ-UHFFFAOYSA-N 405.593 1.801 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722458984 ZKBASDIOORWHQM-INIZCTEOSA-N 409.581 1.526 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1NC(=O)CC1(C)C 1722468755 PIPAYUFDZGCAGP-WHSLLNHNSA-N 403.527 1.909 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722540851 HSSKXPYUKZHHMD-HNNXBMFYSA-N 406.918 1.858 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722699157 CPDVBNLEJKQNKL-NVXWUHKLSA-N 412.469 1.025 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722741937 BGEYZKSQCZZKOH-GOSISDBHSA-N 416.551 1.524 30 10 HDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCO2)c1 1724957236 AGWJAGALKSUJLB-LJQANCHMSA-N 421.505 1.998 30 10 HDEE Cn1cc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1729575706 BYGPRIVRGWFVMI-LJQANCHMSA-N 400.462 1.322 30 10 HDEE COCCCN(C)CCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1730690314 BEWQHHDHQTVGLH-FQEVSTJZSA-N 401.490 1.674 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1730941507 GHQXNBOJLFGLHQ-CKJXQJPGSA-N 416.526 1.610 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740587376 HZTXKIUKWCFNPU-UHFFFAOYSA-N 405.510 1.594 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1740622842 JJTQTEDSEHFHBP-CQSZACIVSA-N 424.477 1.812 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(C)c1C 1740646418 ZKAOZZPUIOJDDL-UHFFFAOYSA-N 416.489 1.787 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(O)c2)CC1 1740704310 LOOFRSHVZYQEBF-UHFFFAOYSA-N 419.489 1.398 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1740716667 WJZRYZPVRVYZIX-HNNXBMFYSA-N 415.523 1.671 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](CC)C1 1740717658 XZHGCHXTKCCPPO-CABCVRRESA-N 414.622 1.878 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740784497 VSXUCCRVCSCMFD-IBGZPJMESA-N 423.565 1.973 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1740786855 QQHSLDVXGYRFIW-DYESRHJHSA-N 421.542 1.783 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1740890018 QIRHFLCYNXWJKH-UHFFFAOYSA-N 411.510 1.416 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccsc1 1740960480 SNRTUDYMNLWWOW-AWEZNQCLSA-N 409.537 1.180 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1740963925 AYHWHHLNOVEVBQ-UHFFFAOYSA-N 410.478 1.908 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1747220482 NFLWXFHLPFRCHX-WBVHZDCISA-N 416.457 1.027 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1748816102 WWHXTWSGORACOO-ZWOKBUDYSA-N 422.551 1.716 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1748819424 OMCBIKMXIMRBTG-MSOLQXFVSA-N 413.547 1.937 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F 1748906415 SLLKJUNLXBLGTL-UHFFFAOYSA-N 409.425 1.998 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749044873 XIGXTTPYYUKMCV-SFHVURJKSA-N 413.547 1.381 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749754036 FEILQZVDHCSEIU-MJBXVCDLSA-N 415.585 1.406 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1750095933 OWCZPDDVXIKBOZ-QWHCGFSZSA-N 415.479 1.506 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1751094237 GNKBBRFTHSUQEO-ZBFHGGJFSA-N 416.507 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCN1CCc2sccc2C1 1760095035 DMJQHACIOHSHQL-HNNXBMFYSA-N 400.552 1.994 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760181059 PAIMMHKZSAVDBO-YHUYYLMFSA-N 414.503 1.159 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1760190576 SEJPAISQJONPAF-INIZCTEOSA-N 419.938 1.954 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1760194022 BGSVQXRHPRXIKP-AWEZNQCLSA-N 421.473 1.482 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1760261194 MCBSOJQKGALSSR-UNMCSNQZSA-N 423.565 1.876 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760269034 WCVVZYMQEOWMSL-FUHWJXTLSA-N 423.521 1.252 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760421952 FHPPPSSZVLPSTM-BFHYXJOUSA-N 413.500 1.359 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CC)n1C[C@]1(O)CCS(=O)(=O)C1 1760484729 IYGTVIAOEQALQF-LJQANCHMSA-N 408.499 1.722 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1cccc(C)c1 1760522362 RRFCCAWSYNZDTN-HNNXBMFYSA-N 403.508 1.559 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](COCC)C1 1760555215 ACRCYDAYBRJJPQ-SJORKVTESA-N 412.556 1.636 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1760696432 QTLLNNQJNLWHCP-HOCLYGCPSA-N 422.555 1.082 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1761356226 CDBFBVLPIHMGOU-CQSZACIVSA-N 408.528 1.077 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN2CC=CCC2)cc1 1771534406 AAGJXWWUKLRDFY-GOSISDBHSA-N 421.505 1.302 30 10 HDEE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCCc2nc(C#N)cc(Br)c21 1848758707 APOJCLIQJOVZKN-ZDUSSCGKSA-N 413.297 1.419 30 10 HDEE N#Cc1c(F)cccc1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851176014 LASBMSOCSVVVGN-IBGZPJMESA-N 401.463 1.978 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@H]4CCc5ccccc54)C3)CC2)n1 1851294462 TZRPCEZNKOCVNP-XLIONFOSSA-N 416.485 1.533 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3F)C2)NC1=O 1851648129 BQRTXCSGGJKKTL-VIFPVBQESA-N 406.801 1.153 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)NCC1CCN(c2ncccc2C#N)CC1 1851944624 BFBRNTRZBAZEBE-KRWDZBQOSA-N 405.524 1.100 30 10 HDEE Cn1cc(C#CCNC(=O)c2cc(Br)cnc2N2CCOCC2)cn1 1852797709 BDRZLCLVZVTZJQ-UHFFFAOYSA-N 404.268 1.196 30 10 HDEE COCCN(CC(=O)OCC1CCN(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1853035669 TTWHUMXVFBSVLS-UHFFFAOYSA-N 409.508 1.226 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CC1=O 1854023474 UCQNMFIMSXYKQW-AWEZNQCLSA-N 407.467 1.353 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3COc4ccccc43)C(=O)C2)cc1 1854036162 YOEGWNKGWVONRC-KRWDZBQOSA-N 411.439 1.094 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccnc(OCC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854114119 SEVFKAZKCBDVTA-ZWKOTPCHSA-N 414.506 1.720 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)C2CC3(CC(=O)C3)C2)C1=O)[C@@H]1CCN(C)C1=O 1854224795 NJBPIWPVCLPSSY-ZWKOTPCHSA-N 401.507 1.372 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854318870 KCUQQAYEPKFPPH-OALUTQOASA-N 404.474 1.690 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)ccc1F 1855577558 KWLFBMOYXWWWEC-HNNXBMFYSA-N 407.467 1.824 30 10 HDEE CCCC[C@H](F)C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855838225 KQUCTEDEBKITHC-WMZOPIPTSA-N 401.486 1.979 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1 1856278888 XIZJOEOLWARBGC-INIZCTEOSA-N 404.474 1.466 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C(=O)C1 1856421854 NSGFAPOCCJAHSM-HUUCEWRRSA-N 412.446 1.131 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1856616845 DKEJKSHBAQTORE-PKOBYXMFSA-N 404.474 1.548 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1856670530 DJDIIGWIFICUSV-PKOBYXMFSA-N 404.474 1.548 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(Cc4cccnc4)C3)CC2=O)cc1 1857150604 KEVMQHNBGVGLSC-NRFANRHFSA-N 403.486 1.441 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cccn1 1857249742 XFHHVJPNUSUNCW-IAGOWNOFSA-N 406.490 1.965 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc3cccnc23)C1)[C@H]1CCN(C)C1=O 1857299510 QISDSAVSXCYDMV-YJBOKZPZSA-N 407.474 1.337 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2=O)CC1 1857323369 AFCLPEYGOAWEMW-IBGZPJMESA-N 405.458 1.273 30 10 HDEE COc1cccnc1OCC1CCN(C[C@@H]2CCC(=O)N(C(=O)CC#N)C2)CC1 1857383765 QDQZKAXBRKGUBZ-KRWDZBQOSA-N 400.479 1.860 30 10 HDEE N#Cc1cccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1858403569 PKWWOUIYKOQQGO-HNNXBMFYSA-N 413.455 1.979 30 10 HDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CN1CCOCC1 1870378374 VRXZTUNTHYPBKO-UHFFFAOYSA-N 423.469 1.542 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2Cl)c(=O)cc1CN1CC(O)C1 1870716711 SBXBTSJAPIJGKW-UHFFFAOYSA-N 403.866 1.882 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCCO)ncnc21 1875228713 AOQMGDNXALERHU-UHFFFAOYSA-N 421.505 1.769 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 1892006388 DIWXGRMIZBZDMM-UHFFFAOYSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CCC=C(B3OC(C)(C)C(C)(C)O3)C2)C1 2015320503 HJJRKPQUGILQNQ-UHFFFAOYSA-N 421.347 1.985 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)cc1C#N 2118167339 NUNRGDOJXMRMJV-NZSAHSFTSA-N 412.471 1.950 30 10 HDEE COC[C@]1(NS(=O)(=O)c2ccc(C#N)s2)CCN(C(=O)OC(C)(C)C)C1 2118170281 QJRBLENHXJRMDT-INIZCTEOSA-N 401.510 1.924 30 10 HDEE N#CCc1ccc(S(=O)(=O)Nc2ccc(I)nn2)cc1 2173020210 BPFPMBLREIWIGS-UHFFFAOYSA-N 400.201 1.948 30 10 HDEE C[C@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1CNC(=O)OC(C)(C)C 2174779953 ORGJFAYSIFPWEM-HOCLYGCPSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2243674749 NEEYSQLJUDVMBZ-UHFFFAOYSA-N 421.328 1.587 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@H]2C1 2247826865 ARJVHVUPOXSPTP-RYUDHWBXSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247919464 RKBMGSFGVDIJGH-GXTWGEPZSA-N 418.303 1.419 30 10 HDEE Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2270534988 JBRGOQWKGFSWIL-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCCS(C)(=O)=O)cc2Cl)OC1(C)C 2281780380 VHGUAVYXHDXTAX-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2281999859 HIXRLAWMNSKDMI-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@](C)(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315813 SVKBKSTZUBWPCJ-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1SCCS1 2282333252 MCEDNBKOCWQWKD-UHFFFAOYSA-N 419.403 1.194 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333489 PIHRJQUQQCUBHK-IUODEOHRSA-N 401.359 1.377 30 10 HDEE CCCCN(CC(N)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341731 WTNKEVNNMUXCGV-UHFFFAOYSA-N 402.347 1.323 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(CCN)CC2)OC1(C)C 2282490493 HSUBAJDUDQMFTB-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282510911 GKCUXWQEGDARLT-YDBLSZJJSA-N 421.415 1.624 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H]2N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282834136 PTQZBMYHUMNNCL-QWHCGFSZSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCCOCC3)s2)OC1(C)C 2282848772 RMOILIMKLHMVRE-UHFFFAOYSA-N 403.331 1.085 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC2CC(N)C2)OC1(C)C 2282867377 XWHQJIZNGAOTJN-UHFFFAOYSA-N 400.375 1.594 30 10 HDEE CC[C@](C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284395895 QPGXWPGZBNRJML-MRXNPFEDSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CC(=O)O)C3CC3)s2)OC1(C)C 2284396892 ZLUSNQXOGCFEKY-NSHDSACASA-N 401.315 1.579 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300217507 PWJTUJCAYOCVHD-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC(C)(C#CC(=O)[C@@H](O)c1ncc(I)s1)S(C)(=O)=O 2339668325 RIQNTWHKYNFXPB-SECBINFHSA-N 413.258 1.177 30 10 HDEE COC1(C#C[C@@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363524108 DILAEMQFXIGDRG-HZPDHXFCSA-N 401.525 1.734 30 10 HDEE CCN[C@H](C#CC1(OC)CCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363602280 TXNYPLXLSUUCOY-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)C#CC(C)(C)S(C)(=O)=O)[C@H]1OC 2365171396 IYBPPOXKVKQJJB-ILXRZTDVSA-N 403.497 1.031 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365213440 UXALMVSYEDRGKK-PJIJBLCYSA-N 400.541 1.339 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(O)CCCSC3)s2)OC1(C)C 2369681597 IAPSDXDFRHQDDT-MRXNPFEDSA-N 419.399 1.584 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379882322 KXHKWHJBRVOQDY-UHFFFAOYSA-N 401.529 1.951 30 10 HDEE Nn1c(N/N=C/c2c[nH]c3ccccc23)nnc1SCC(=O)NCc1ccco1 20527859 YTIAVRHWCRKZPG-LSFURLLWSA-N 410.463 1.921 30 10 HDEE Cc1cc(N2CCN(CC(=O)N3CCOCC3)CC2)n2c(nc3ccccc32)c1C#N 24949927 VWYXSAQMIZLPRR-UHFFFAOYSA-N 418.501 1.648 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 47101562 RUZVCNJNOOSCRF-INIZCTEOSA-N 409.469 1.988 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCN(c2ccc(Br)cn2)CC1 54989404 JTUCELPITMOMJX-UHFFFAOYSA-N 405.300 1.622 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 57598709 FNGMTIVNEANDJZ-UHFFFAOYSA-N 420.516 1.640 30 10 HDEE N#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(F)cc1F 111220434 SMEYYQODLFHSNJ-IAGOWNOFSA-N 401.348 1.905 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)OCC(=O)NCCCN2CCOCC2)cc1 244187203 VMOSZTZHKVAFJI-UHFFFAOYSA-N 400.497 1.018 30 10 HDEE Cc1ncc(CO)c(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1O 254493421 RJXPRSQLSDMMIN-UHFFFAOYSA-N 423.520 1.159 30 10 HDEE COC(=O)[C@@H](c1cccnc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 446761053 MLRPPMMQPGOVKL-GOSISDBHSA-N 400.460 1.174 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C 447263128 HOEIEZUIQLJFEH-SECBINFHSA-N 409.309 1.061 30 10 HDEE COCCCNC(=O)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462084891 PLLIMWYLJRIGRU-UHFFFAOYSA-N 411.466 1.536 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(F)c(CN(C)C)c3)CC2)c1C#N 472075690 SDHAJQXHBXHISY-UHFFFAOYSA-N 413.501 1.833 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCO[C@H](COc2ccccc2)C1 480847060 SJNKXKLFLQBKLA-HNNXBMFYSA-N 403.416 1.935 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481008608 AUVFJNTWKARNLM-UHFFFAOYSA-N 403.501 1.273 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C[C@H]3NC(=O)NC3=O)cc2)CC1 481107335 JUTMHYYLSLEMOZ-QGZVFWFLSA-N 419.445 1.058 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(C(=O)N(C)C(C)C)c2)CC1 489092622 SBQZDEJZYOQOIT-UHFFFAOYSA-N 415.538 1.927 30 10 HDEE CS(=O)(=O)c1csc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 489241441 QXVYAURGAJVJGY-HNNXBMFYSA-N 403.485 1.554 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c1 500513747 NYFHPEBZQNVWPR-IBGZPJMESA-N 420.579 1.393 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 501529620 DMCRQXHLISPNAC-VQTJNVASSA-N 404.470 1.652 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)C1 507211621 UMDAGTPZODWQOE-IBGZPJMESA-N 417.529 1.292 30 10 HDEE C[C@@H](Sc1nncn1C)C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 523357554 YWKIHTUMVDFLPP-RISCZKNCSA-N 402.505 1.708 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N(CC)CC)cc21 526845630 RJLHKNHMYYLGNN-HJFSHJIFSA-N 406.504 1.786 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O 527386910 XZZHNIOPYDTOBI-QGZVFWFLSA-N 410.405 1.908 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@H](C)CO)nnc12 532686025 OPVUHQKMJVHTDQ-CHWSQXEVSA-N 401.492 1.455 30 10 HDEE CCn1cc(C#N)c(=O)n(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)c1=O 535648044 UKFVWVCSWZFEQB-UHFFFAOYSA-N 400.416 1.008 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 540796706 IRXGVURDLPHKHC-UHFFFAOYSA-N 413.455 1.441 30 10 HDEE Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H](C#N)Cn1nc(C(F)(F)F)cc1O 542187498 YEQCGPSDOSLZSX-JTQLQIEISA-N 406.328 1.670 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C1CC1 544636430 ZQAGUMCGRDLOFI-UHFFFAOYSA-N 412.471 1.491 30 10 HDEE CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 545505686 WDHUWLGMPQXCRL-UHFFFAOYSA-N 421.501 1.895 30 10 HDEE CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546222118 AISLHEIAYQNKNV-UHFFFAOYSA-N 417.466 1.991 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=C)C)CC1 549257616 KHFNILQPVKPRAA-UHFFFAOYSA-N 424.505 1.674 30 10 HDEE COCc1ncsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 550257568 TYGJUVOHVCWUND-UHFFFAOYSA-N 406.489 1.308 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(F)c(C#N)c4)CC3)C2=O)n(C)n1 551264770 JPOMOGDBURLOGE-IBGZPJMESA-N 424.480 1.693 30 10 HDEE C[C@@H]1COCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 561920572 ORBSYFLSYLULDD-WBVHZDCISA-N 406.508 1.247 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 573496649 VNVCCMDYHQYHEM-CQSZACIVSA-N 410.459 1.295 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 579652532 IOFCGEWQCCIBNN-OAHLLOKOSA-N 420.535 1.236 30 10 HDEE COc1cc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)ccc1OCC(N)=O 616410087 DLVNLXQMUNOGPX-UHFFFAOYSA-N 407.423 1.190 30 10 HDEE COc1cc(S(=O)(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)s2)sn1 717671604 JXSPQUGDUVCJIJ-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1C 727415263 LALTVUBTCRUVJJ-UHFFFAOYSA-N 405.479 1.891 30 10 HDEE CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 730145127 WTWHURJDNAIJFR-HNNXBMFYSA-N 407.540 1.890 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 732440923 CQPJXVLCWVYEQC-QBNCKDSPSA-N 414.462 1.895 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(-n2cnnn2)cc1Cl 734292505 RMCSCRXCKJWVPV-UHFFFAOYSA-N 402.823 1.615 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 735335614 ZQXFWQDICBGMBW-UHFFFAOYSA-N 407.835 1.783 30 10 HDEE C[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1Cc1ccccc1 745812889 FSNAEOOHXWRANM-QBEKEKFNSA-N 411.506 1.819 30 10 HDEE COc1ccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1C#N 746872436 MAGKBPPDSRYEDE-UHFFFAOYSA-N 404.426 1.255 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)cc1 752149968 CEIDPCKTGQFVPQ-UHFFFAOYSA-N 408.439 1.778 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 758165263 CAUGFPRZVHIBRF-KRWDZBQOSA-N 408.543 1.470 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 761725386 BEKBTQKCMKXXOD-LZJOCLMNSA-N 411.462 1.362 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(NC(C)=O)c2)N(Cc2ccn(C)n2)C1=O 765545379 WAJBHTADXGZWCJ-MRXNPFEDSA-N 414.491 1.646 30 10 HDEE COc1ccc(CNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 765894200 UWFBSYNTSPWDMW-HXUWFJFHSA-N 422.485 1.836 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767879534 DQWBHERTSMHPAS-UHFFFAOYSA-N 414.487 1.522 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771541456 HEYGVXFRRJZRMM-INIZCTEOSA-N 423.502 1.034 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2)[C@H]1CCS(=O)(=O)C1 774240034 GXWQMKCFFPKJQD-KMFMINBZSA-N 419.503 1.689 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)c2ccc(OC)cc2Cl)CC1 780481218 LZTWSMNKRXIKFM-UHFFFAOYSA-N 419.909 1.595 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780724875 YGSPQELPLICCMW-SIKLNZKXSA-N 414.506 1.764 30 10 HDEE CN1C[C@@H](C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 786514618 YOGJOCNSRFNDCG-QZTJIDSGSA-N 406.398 1.789 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)CC2 786808823 GDKVXAJAULJSIB-NRFANRHFSA-N 409.442 1.703 30 10 HDEE O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)OCC#Cc1ccccc1Cl 787003412 XLCQHMPNJVVUNU-LJQANCHMSA-N 404.894 1.948 30 10 HDEE C[C@H](OC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)NC1(C#N)CCC1 787781347 VVBYZDBEIAYJOC-VIFPVBQESA-N 422.235 1.888 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC1(C#N)CCC1 790006567 BQMLXNVBQSRHJL-UHFFFAOYSA-N 420.535 1.807 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 790738841 KISPDWJZKPQPRH-VFNWGFHPSA-N 420.510 1.827 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 791721320 XLFLDOVQBPORJK-YCRPNKLZSA-N 423.510 1.742 30 10 HDEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCCS1(=O)=O 791836963 NXXRFOJRTCXALC-FQEVSTJZSA-N 405.516 1.771 30 10 HDEE Cn1c(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)nnc1-c1ccccc1 795323697 JAUJJRKCDFADND-UHFFFAOYSA-N 411.443 1.375 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1cc(C(=O)C2CC2)ccc1Cl)n1cnc(C#N)n1 798865150 UKFKCZMYOVNNPP-SECBINFHSA-N 407.839 1.462 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(CNC(=O)C(F)(F)F)CC2)c1 799172596 TXMDXIBFSGKPJE-UHFFFAOYSA-N 403.426 1.722 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)c1cccc(Br)c1 802142494 BCLCHNIZAGSVNI-HDUPEWFZSA-N 423.267 1.308 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)ccc1C#N 810866117 TZVDPQRYBNUMHJ-OAQYLSRUSA-N 410.405 1.789 30 10 HDEE C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)Cc1ccc(O)cc1)CC(C)=C1C(=O)C=C(CO)[C@H]12 1078928936 UMVSOHBRAQTGQI-XYEHWOGUSA-N 410.422 1.782 30 10 HDEE C#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 1130116999 ZOAGSRHLHVOJOY-KRWDZBQOSA-N 404.513 1.802 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 1134267739 GLVMQZWGTWZKMB-SPYBWZPUSA-N 407.492 1.239 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c(=O)nc1O 1136160343 CKJDAOVJCOBADL-UHFFFAOYSA-N 401.386 1.583 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1141977454 NDJORQZKLUHTRW-UHFFFAOYSA-N 403.460 1.657 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)Nc2cc(C#N)c(F)cc2C)s1 1177036711 UBGFXDAALPVWJD-UHFFFAOYSA-N 424.479 1.620 30 10 HDEE C=CCOc1c(Cl)cc(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 1177896437 CEGDMRCBLQISTB-QGZVFWFLSA-N 423.941 1.936 30 10 HDEE NS(=O)(=O)c1ccc2c(c1)N(CC#CCN1C(=O)c3ccccc3C1=O)CCC2 1191882834 VNOVTZKWNTWVTD-UHFFFAOYSA-N 409.467 1.386 30 10 HDEE CN1CCN(CCCN(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1209867152 ASIPUXLNEBLAQY-UHFFFAOYSA-N 415.357 1.579 30 10 HDEE C#Cc1ccc(NC(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)c(Cl)c1 1209898154 PAMHXBSENIKVLX-UHFFFAOYSA-N 420.878 1.990 30 10 HDEE C=CCN(C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2)[C@H]1CCS(=O)(=O)C1 1219197655 XJAWVMMHNNMJEM-NEPJUHHUSA-N 413.521 1.628 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1252458802 MNFKKGKURSCFSQ-LSDHHAIUSA-N 414.325 1.847 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1286350067 UJIGQYZADWBLRQ-DLBZAZTESA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1286359992 AYXXTLLNJGMBMY-CVEARBPZSA-N 404.540 1.483 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@]1(N2CCOCC2)CCSC1 1286416267 LGDLVWFFBHYGTM-FQEVSTJZSA-N 403.552 1.095 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H](C)N1CCOCC1 1286416914 SRSJSEWQDYVQCH-FQEVSTJZSA-N 407.518 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC(=O)N2)n1 1286471342 LGSWEKBBAIKDMY-MRXNPFEDSA-N 422.493 1.035 30 10 HDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1286509875 YGJCFQWFAKXAHY-OAHLLOKOSA-N 415.585 1.212 30 10 HDEE C=C(C)Cn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286598473 LPJGBCXDCBVYIA-VQIMIIECSA-N 412.556 1.908 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286690635 TXSVVXZVIJKJAH-UHFFFAOYSA-N 412.560 1.148 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1(=O)=O 1286767549 WNMHWUADDDGIET-INIZCTEOSA-N 407.540 1.890 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)C)C1 1286784154 XNNLLHDGRQXBQW-QGZVFWFLSA-N 421.509 1.705 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@H]2C)C1 1286803667 FTQBZCOLVDSYNC-AEFFLSMTSA-N 401.515 1.181 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCCCCC3)CC2)c1C#N 1290576178 BKKQJFJPJUAHSD-UHFFFAOYSA-N 411.558 1.703 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1291406080 SWIOMDLDHVSHIC-ZCLUNYJNSA-N 421.542 1.845 30 10 HDEE CCOC(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1296461835 AGBAIGVAOAIDNZ-CQSZACIVSA-N 418.523 1.813 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298577292 DXYZXYVPMQNODG-SCYHOBCLSA-N 416.482 1.129 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300337299 YGSUVQBWHVWSMA-KRWDZBQOSA-N 415.542 1.556 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2F)CC1 1300356331 BKDNHSRFGVFHAN-QGZVFWFLSA-N 411.485 1.893 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1300546970 AVRWATUODXZKDH-MRXNPFEDSA-N 413.444 1.541 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OC)c(OC)c1 1300596177 LZMQOHHXLMBZMW-UHFFFAOYSA-N 415.494 1.950 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1300681849 DAIBGKZXPAPBNQ-JTSKRJEESA-N 423.521 1.232 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1300683122 WUZMWAOBNOBBRL-UHFFFAOYSA-N 410.522 1.682 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccoc2)CC1 1300725457 ACGIEILAUDNLNB-UHFFFAOYSA-N 404.474 1.871 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1300776921 ONRDRFFAOAZCOT-UZLBHIALSA-N 421.567 1.352 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccccc1 1300898770 GZNHCGRXCXUGHI-UHFFFAOYSA-N 423.477 1.268 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1300949284 RLEUMEACGNYXBK-ZDUSSCGKSA-N 402.528 1.546 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)OC 1301002049 CEMAWRKZEDROSF-SQNIBIBYSA-N 410.478 1.193 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)NCC)CC1 1301229155 IKDBJLQRALICGW-UHFFFAOYSA-N 414.558 1.364 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1301259879 SJJYWIBROZRELS-UHFFFAOYSA-N 415.519 1.890 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)NC 1301366234 ADMLKMJCWSIIPA-OAHLLOKOSA-N 411.553 1.933 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1301498388 NMRICUPRNRYYSL-UHFFFAOYSA-N 414.485 1.932 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1301498901 UYKXKNABHLJTIK-HUUCEWRRSA-N 413.544 1.081 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCOCC(F)F)cc1 1302989670 QSFCOHUCMXDPEN-HNNXBMFYSA-N 417.420 1.312 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)CCOC1 1303506918 RYAOZOMYSCCCHJ-SQGPQFPESA-N 403.483 1.393 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N[C@@H](CC#N)C(F)(F)F)CCCC1 1303848807 OBRDBJYHZJELPL-NSHDSACASA-N 408.402 1.843 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1304184801 KEMCVYFJRYTXLO-UHFFFAOYSA-N 410.546 1.958 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1305298495 JRHASGAJWFCLGY-LJQANCHMSA-N 405.524 1.849 30 10 HDEE CCc1nc(CCn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)no1 1306014253 IMGZEOURINTCTH-CQSZACIVSA-N 403.487 1.930 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 1307856400 GQGAOEPGGLTUJT-GOSISDBHSA-N 419.522 1.844 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)C1 1311469760 FHPAERWTKBTQSF-LJQANCHMSA-N 406.552 1.411 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1)OC 1315793328 IZOABSAEZXRVKA-RBUKOAKNSA-N 422.493 1.911 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@@H]2CCOC2)cc1 1316534123 PERHETMECWICFZ-QZTJIDSGSA-N 424.505 1.857 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)C1 1320204980 LCTWQNKDPNMMKF-HNNXBMFYSA-N 420.535 1.830 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](OC)C(=O)OC(C)(C)C)c1 1351602414 WUUDJRGUBZRCLY-LJQANCHMSA-N 416.474 1.216 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 1354427173 FJVSUAPBVIZMHZ-LLVKDONJSA-N 416.388 1.388 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F 1358985102 PIYGKGRVDBMRKJ-INIZCTEOSA-N 417.510 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1358993195 HRRBICKTXILTPZ-HXUWFJFHSA-N 412.538 1.147 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)CCCCC1 1359018252 JLTZJNCSKPYRCT-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1359025374 LXLLHXVYKUUDMB-VGSWGCGISA-N 414.506 1.503 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C2CC2)N(C)C)CC1 1359043698 DZUKFVUPHFNTDA-IBGZPJMESA-N 422.537 1.041 30 10 HDEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359219608 WVFFCLCUNWAWPB-QGZVFWFLSA-N 424.505 1.279 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359330663 YPRCZZLXLYJOOW-NVXWUHKLSA-N 405.524 1.802 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1360487784 RQJZIDFDALLFLD-YJBOKZPZSA-N 412.494 1.712 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CCC(=O)NC)s1 1449099651 FITQRRRUQLXMSK-AWEZNQCLSA-N 413.565 1.662 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1455946418 RHSPJYOIEVPQOC-UHFFFAOYSA-N 405.520 1.307 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)NC(=O)OC(C)(C)C 1457827335 XHPCJMVNDDZSQK-CHWSQXEVSA-N 410.496 1.254 30 10 HDEE N#CCCN(C(=O)c1cc(S(N)(=O)=O)oc1Cl)c1ccc2c(c1)OCCO2 1464801460 DGGNTSRTMUHDCP-UHFFFAOYSA-N 411.823 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464920779 AWLNYLIYBIJNOZ-CFBLSMTOSA-N 418.494 1.809 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)cc2Cl)CC1 1466196371 AIXKHGLKBMRROO-UHFFFAOYSA-N 414.915 1.744 30 10 HDEE Cc1cc(I)cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1467822790 SKGDKKIJLIKMHL-UHFFFAOYSA-N 410.171 1.372 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCN(c2ncc(I)cn2)CC1 1470935285 OMRXXAIRVBKAPO-CQSZACIVSA-N 402.236 1.057 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)cc1 1471088828 MPPRRZVSZQIIBQ-WMLDXEAASA-N 410.492 1.239 30 10 HDEE C#CCN(Cc1ccc(CN(C)C)c2c1OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 1474363772 LKEQYCVXFPFULB-OAHLLOKOSA-N 400.447 1.692 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1475725862 VLPNVVMOWUGEST-SECBINFHSA-N 403.386 1.779 30 10 HDEE C#CC[C@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1478521232 ULJKSSHFOUNMAY-ZIAGYGMSSA-N 422.448 1.153 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1CC(F)(F)CO1 1499142219 XPHPWHUZDBVAPD-AWEZNQCLSA-N 420.468 1.505 30 10 HDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1505050102 HIZKJLWAIXTEPY-UHFFFAOYSA-N 422.493 1.529 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1507560234 FYIQLQDSALBUSR-UHFFFAOYSA-N 409.538 1.710 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507621980 DNRCCJYXKMBEMB-IAGOWNOFSA-N 409.600 1.933 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1507637259 IZMGQQALEYTGIO-AWEZNQCLSA-N 409.537 1.141 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507637763 NDPHJPDZEYAVPC-FPSMNIFISA-N 422.551 1.285 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508080836 DXOGQESKNDUZGN-VFNWGFHPSA-N 415.469 1.771 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)[C@@H](C)C1 1508241679 LEKPADBKSRZSFJ-INIZCTEOSA-N 412.494 1.273 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccn(C)n2)CCOC1 1509819338 ULSUWMRVVVQZOY-PXNSSMCTSA-N 415.498 1.024 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(CCOC)c1 1513924723 PMXIGPFWTQGOKL-UHFFFAOYSA-N 421.509 1.325 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1513975073 QVXMTFRRAJMZBQ-KKSFZXQISA-N 407.478 1.010 30 10 HDEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1514851557 HTMNKQGSWAVQRP-GOSISDBHSA-N 407.522 1.875 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1516606507 AFPYZRUQQJJOHZ-QZTJIDSGSA-N 402.474 1.985 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1517433355 APLBEYMGVKUVRW-AWEZNQCLSA-N 409.494 1.256 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C)C1=O 1519269620 GAXOXHFAFDANTB-YWZLYKJASA-N 404.515 1.610 30 10 HDEE N#Cc1cccc(C(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1Br 1525187424 MFRDQDBXZQUYKM-UOVKNHIHSA-N 414.259 1.858 30 10 HDEE COC(=O)C12CCC(CC1)N2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1535105713 QXGSFYQBXJAZNS-ZGOJQLDESA-N 410.430 1.460 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539022242 OCDOIOFELRDOPF-DOTOQJQBSA-N 402.524 1.003 30 10 HDEE C#CCCCn1c(N(C)C[C@@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539139350 DHKWASICALQVJV-GHTZIAJQSA-N 403.527 1.648 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539215439 CAYPMXMKYYUMJY-OXJNMPFZSA-N 406.552 1.723 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCS(C)(=O)=O 1539405951 RABPHEXEGUABFG-UHFFFAOYSA-N 420.491 1.195 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2nnc(CC)s2)CC1 1539453008 AVZKVUHIODQNOV-UHFFFAOYSA-N 408.535 1.481 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)CC1 1539612527 NABYBXCAAHQCIE-IRXDYDNUSA-N 404.515 1.066 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1540549957 DEYHZRHQKIZCMK-PMACEKPBSA-N 417.469 1.536 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC(C)C)C1CC1 1540871244 HKIAHMUIARTTHD-HNNXBMFYSA-N 409.556 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)OC(C)(C)C1 1540905064 RLMLENGAXIDIEI-INIZCTEOSA-N 419.551 1.868 30 10 HDEE CC(C)c1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541341129 KXEBRLHZHMFRGY-VFAFWLKOSA-N 414.510 1.791 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1543640816 VLSKTSSINILGMX-UHFFFAOYSA-N 417.409 1.958 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 1544128604 YLKAGQBWVJBQRI-SFHVURJKSA-N 414.506 1.741 30 10 HDEE CC[C@@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1545322909 ACCFVNAWAGVSHD-HUUCEWRRSA-N 411.510 1.651 30 10 HDEE CCOCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1548235330 WPHOGJYZTIACBD-CRAIPNDOSA-N 412.560 1.835 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1552665350 XZOIWYZFOCTHBD-QZTJIDSGSA-N 410.478 1.608 30 10 HDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)C1 1555345517 AXKLGWGAJLRUMU-PGRDOPGGSA-N 410.522 1.746 30 10 HDEE CCOc1ccc2nc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)sc2c1 1560193497 CBRYCYMZRLHBPH-KPZWWZAWSA-N 420.516 1.504 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2CCN(C)C(=O)OC(C)(C)C)CC1 1560240207 QCCKIYLLDMJIDF-LJQANCHMSA-N 406.571 1.875 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1567952534 YNMUEKFKWQYXJF-NSHDSACASA-N 404.398 1.691 30 10 HDEE COc1ccc([C@@H](O)C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1569587777 GSZIBOXAIFXSJK-LJQANCHMSA-N 412.446 1.191 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1584574887 AQWKRVHDYORGHP-OAHLLOKOSA-N 401.510 1.135 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)CC[C@H]2C(=O)OC)c1 1584747264 CCGZECRGBZNUFK-RDJZCZTQSA-N 421.471 1.050 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1587023095 VTCRUVTYCUCDMO-UQJKDHKDSA-N 416.522 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1587604886 ZUAPYYVZZKBXGE-HNNXBMFYSA-N 411.462 1.033 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1587766433 UNADCQRTCWHMGH-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1589370991 IGMULLQQJRPOAU-AWEZNQCLSA-N 407.471 1.698 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589394301 BLRKWMLVMQNNGF-LBPRGKRZSA-N 404.334 1.582 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnn(C)c1 1589482245 ICPONUXHZSQDDD-IRXDYDNUSA-N 401.515 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1589558842 MHTHKQMOFRKXCS-BPXKWBHBSA-N 410.522 1.947 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@H](C)C2)CC1 1594014579 SYTFWZFWIOGSQC-DLBZAZTESA-N 410.588 1.777 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OCC)CC1 1594679341 CZZUMODVTZIISV-AWEZNQCLSA-N 414.532 1.133 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1594784405 YUCZYUZNLOKWJA-OAHLLOKOSA-N 410.544 1.611 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCC(=O)N2)C1 1595681381 QHMRNOIMNKFBDH-LZJOCLMNSA-N 419.526 1.379 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CC#N 1611815079 YFQNUWVUEVNMLK-OAHLLOKOSA-N 415.498 1.876 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1611815620 JGMRIAOQGGRHDI-HUUCEWRRSA-N 413.482 1.689 30 10 HDEE CCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1613974506 RVDGCFAPJQLVAK-OAQYLSRUSA-N 412.517 1.868 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CC1 1617844729 GLQORPLTIKVGKB-SFHVURJKSA-N 408.458 1.753 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1618500503 OUFBJAHLLVIBGF-YWZLYKJASA-N 406.531 1.904 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)NCC)CC1 1624760253 LVKYCPVMTJAZAY-KRWDZBQOSA-N 410.559 1.906 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(OCCO)CCOCC3)n[nH]2)c1C 1625861353 UUGAHBLXGHXZAY-UHFFFAOYSA-N 403.483 1.364 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3noc4c3COCC4)C2=O)cc1 1626612291 LWOOSEKDZAONEE-OAHLLOKOSA-N 409.402 1.140 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(NC(=O)N(C)C)c1)c1cc[nH]n1 1627798528 ICFVHZNEOQMNHC-UHFFFAOYSA-N 402.411 1.426 30 10 HDEE O=C(CCS(=O)(=O)c1cccc(Br)c1)N[C@H]1CCCN(O)C1=O 1628548283 TZQLBELLENPHDU-LBPRGKRZSA-N 405.270 1.109 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1628870852 ZYYFIPQLYXBZIN-DZGCQCFKSA-N 408.252 1.204 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(=O)nc1O 1629571588 OZLYWEMFESWHIZ-ZDUSSCGKSA-N 402.208 1.354 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CC2)nc1 1629976565 OXYQVWZSZKUEMW-FQEVSTJZSA-N 402.458 1.779 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@@]34CCCC[C@]3(COC4)C2)cc1 1630436519 GTJMZZAIXYEBNL-WOJBJXKFSA-N 403.504 1.911 30 10 HDEE COc1ccc([C@H](CO)N(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1631752374 TZGPUMPVBDEJPB-SFHVURJKSA-N 406.435 1.937 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1632288848 RRVCJPASHQLNHY-GASCZTMLSA-N 407.492 1.647 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634362115 KBVIOZBWUSVEEM-MSOLQXFVSA-N 410.511 1.574 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccccc2OC)c1 1634474811 AFQHWHZMAKUCTJ-NRFANRHFSA-N 416.499 1.330 30 10 HDEE C#CCN(C(=O)CNC(=O)c1cccc(O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1634817933 IXYKUOINBHDLSV-UHFFFAOYSA-N 415.490 1.983 30 10 HDEE C#CCN(C(=O)Cc1c(C)nc(O)nc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1634817999 LLWFNTVURAIMFD-UHFFFAOYSA-N 404.467 1.600 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccncc1Br)c1cc[nH]n1 1635393046 SHZIYEGASIGFHM-UHFFFAOYSA-N 410.228 1.167 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1637478986 BPRCHWHOPMBQEZ-MCIONIFRSA-N 406.932 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1637669316 DQSFNLZQLUDCPP-UHFFFAOYSA-N 424.461 1.746 30 10 HDEE C[C@@H](CC(=O)Nc1ccc(COCCO)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1639597998 VLUPXUNHBCXLKN-AWEZNQCLSA-N 417.487 1.651 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1640623519 VOXRORJKAZJNCQ-GASCZTMLSA-N 409.508 1.936 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Cl)cc(Br)c2N)c(=O)nc1O 1641034108 QGJSLSRGIVOXHJ-UHFFFAOYSA-N 412.631 1.249 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1642506995 CWASBTFHQQGEAL-UAGQMJEPSA-N 414.462 1.008 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1644016511 XDKFPXZDERMGAC-NCOADZHNSA-N 405.520 1.824 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1645053756 KJBQMCOIKZRWBW-UHFFFAOYSA-N 401.529 1.081 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)cc1 1646436528 JSZPTHTZOAHGOJ-OAHLLOKOSA-N 415.475 1.268 30 10 HDEE C#CCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)cc1 1647846607 YQHFPRLKBCWUQC-UHFFFAOYSA-N 412.431 1.275 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)Nc3ccc(CC)cc3)c2)C1 1648355325 BZCHMUYEQKZIBA-UHFFFAOYSA-N 414.483 1.879 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cc4nc[nH]c34)C[C@H]1CS(=O)(=O)C2 1653072641 ISQGVEFRCHMPRS-BJOHPYRUSA-N 409.265 1.336 30 10 HDEE O=C(CN1CCC([C@H]2COC(=O)N2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1655760620 MHAQOONXYIYYEP-QGZVFWFLSA-N 409.408 1.994 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCOC3(CCS(=O)(=O)CC3)C2)CC1 1655895125 UPPASPJNGCZDGZ-HFCFLWKCSA-N 411.568 1.585 30 10 HDEE CNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1658836578 AMWIMOBDCORZFH-AWEZNQCLSA-N 411.553 1.101 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1 1660070143 BMDMJXQCADKRAT-QYZOEREBSA-N 419.547 1.464 30 10 HDEE COC(=O)C1(NS(=O)(=O)c2cccc(Br)c2C#N)CCOCC1 1661992649 DWIJHTQFNIRLKR-UHFFFAOYSA-N 403.254 1.321 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2nc(-c3ccncc3)n[nH]2)cc1Br 1662552923 HOGGRPJJDYLTRM-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OC 1664237717 MYCBLQIDNLTTPM-AWEZNQCLSA-N 400.522 1.829 30 10 HDEE C=C[C@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930677 RYPHWMCFSCZJKF-HNNXBMFYSA-N 424.523 1.935 30 10 HDEE CN1CCN(c2ncccc2CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1667774546 FPVLIHYRCKHXFB-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)Nc1ccnc(C#N)c1 1672168688 FFAQWSWICRACRE-UHFFFAOYSA-N 401.448 1.841 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 1679943728 ASDMGLZJSMQDKT-JKSUJKDBSA-N 420.514 1.192 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1681433416 GYKOHYQTZIZHTE-JQWIXIFHSA-N 416.404 1.997 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1682524475 NZSKZBPFUPEKNR-MSOLQXFVSA-N 408.524 1.623 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)C2)nc1 1683678137 HAQAAAUSJADVPM-GOSISDBHSA-N 406.446 1.846 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)OC2=O 1687665818 SRJVXJYJBNRUCP-JLTOFOAXSA-N 424.473 1.966 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1689835946 VPGIGHRPENXMRO-MGPUTAFESA-N 419.551 1.814 30 10 HDEE C#CCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941925 XZIALEKKSXAPOE-NQIIRXRSSA-N 403.527 1.253 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1689993179 XHJAIYBDBZSQSY-KRWDZBQOSA-N 402.520 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](COC)OC 1690046735 GHLHHRBQCGCQDB-PXNSSMCTSA-N 410.474 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)CCOC 1690190139 MJCDYULETIREBC-DNVCBOLYSA-N 411.572 1.943 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1690219266 ACGZQKBQCVCXNJ-NSHDSACASA-N 408.322 1.024 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1690265288 MCAGMVLJWNQVTK-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(C(=O)NCc2ccc(C)cc2)CC1 1690661101 URUXFXBJUKRVSA-UHFFFAOYSA-N 410.522 1.730 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CC(N)=O 1690682431 OLOQWCMGAVWQDK-OAHLLOKOSA-N 409.494 1.992 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1691888892 OZAXBPFXBMSNTH-GVDBMIGSSA-N 422.555 1.334 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C 1695875168 KTPACHOMZSDJMI-LSTHTHJFSA-N 410.522 1.887 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1696596551 BYQGLOZHEGRMRM-GDBMZVCRSA-N 410.507 1.828 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705533279 WTKSIYAOIQIOPR-IRXDYDNUSA-N 409.556 1.351 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705567718 ZUBOVSOIHQVYAM-WBVHZDCISA-N 403.508 1.325 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1705583086 PTXYBPWAAMVSOH-KRWDZBQOSA-N 410.474 1.929 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705618426 GZOSAKYFIFZIJN-HXUWFJFHSA-N 422.533 1.938 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 1705633164 LBMNXPFTQWNESI-INIZCTEOSA-N 410.588 1.326 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1705744858 QXZODSBMYPQUPK-IAGOWNOFSA-N 422.961 1.814 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCn2cc(CO)nn2)CC1 1705783344 CVBUPVFFYYLZFN-UHFFFAOYSA-N 408.510 1.840 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1705887042 KAJUJCJNCCEWFW-OAHLLOKOSA-N 419.551 1.951 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705899123 IRSQKULTXKAQMH-SFHVURJKSA-N 408.506 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1705900322 YUPPKSIOMYLIJB-SFHVURJKSA-N 421.509 1.692 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)CC1 1705944971 YCDKPRAVQWJWPW-UHFFFAOYSA-N 401.492 1.919 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCC(C#N)CC3)n2Cc2nnn(C)n2)c1 1707332044 DEQOHQAHDYAGQN-UHFFFAOYSA-N 407.482 1.786 30 10 HDEE CCc1nnc(N2CC[C@@H](OCC(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709096834 AOIPTVSQGFSCAL-AMGRQBIBSA-N 402.499 1.618 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)N[C@@H](C)CC)CCOC1 1710456750 FXCZHGFDBHCYTP-RYGJVYDSSA-N 422.505 1.677 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1711338266 AXIYOLDRIFNDEG-GOSISDBHSA-N 412.494 1.442 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1712317912 CPCGGBHFZDBRCZ-SVMVAKDDSA-N 424.505 1.319 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1722335128 BIFBKPDAACWBFP-HOTGVXAUSA-N 424.509 1.040 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368087 PEUOGNYCPPYJNV-KRWDZBQOSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCn1cncn1 1722369903 CCOCTKMVFQUSKC-UHFFFAOYSA-N 422.880 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCSCC1 1722375608 QPTVSVOLGKZRIR-UHFFFAOYSA-N 410.503 1.975 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C(=O)NC)CC1 1722439569 HOYLDUOOANBOCM-UHFFFAOYSA-N 400.552 1.458 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722459021 AOMUCXJSOFNBLR-HOTGVXAUSA-N 418.523 1.808 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1722459444 KHRZRYTVZLMMMP-CRAIPNDOSA-N 407.565 1.677 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2COCCO2)C1 1722722109 YEOMLVNGIIAHRE-MOPGFXCFSA-N 416.526 1.727 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1722795168 XTSFQGPCMRTBGU-HXUWFJFHSA-N 422.489 1.742 30 10 HDEE CC(C)(C)c1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1722897682 BJTQNJMUGBZGLG-WUKNDPDISA-N 411.466 1.653 30 10 HDEE CCSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1729282614 QVFPTGWEDKJHBY-DOMZBBRYSA-N 404.537 1.473 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)c1 1731180040 FLSGDTDVRJEEAM-LJQANCHMSA-N 419.489 1.852 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1731185958 NMBXHBLQWJZUKG-OALUTQOASA-N 402.543 1.759 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1740595734 XQIYFBRFRUWFKN-UHFFFAOYSA-N 417.535 1.661 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCC[C@@H]1NC(=O)NC1=O 1740600083 HWUHVJBRNMZJTK-KRWDZBQOSA-N 406.490 1.806 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740601454 VWGYHTQCNAAUQE-HUUCEWRRSA-N 403.449 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740955229 ZFIFIGKIZWARRY-OAHLLOKOSA-N 412.494 1.644 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCOC3(CCOCC3)C2)nnc1C(C)(C)C 1740995368 JJFUUJDVCYPSRH-UHFFFAOYSA-N 412.556 1.562 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1741891125 KQQVBBXZBCOHSU-CJNGLKHVSA-N 407.496 1.902 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1742002127 CFLHWVNBOJLHEF-QGZVFWFLSA-N 410.478 1.480 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746441386 OUQPIJIBUPFCIN-MBOZVWFJSA-N 405.522 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1748666902 KBGZLKTXCFZRSX-KBPBESRZSA-N 411.453 1.518 30 10 HDEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1748723870 BRTZASVCTALNEI-LJQANCHMSA-N 411.506 1.920 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@H]2C1 1748734604 JIFBMLSTJKFDLG-OAHLLOKOSA-N 419.327 1.970 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1749021923 CMUVYELABCCJGI-PBHICJAKSA-N 415.585 1.260 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)CC1 1749343046 VYHJKNQNKNGTLK-YJBOKZPZSA-N 412.581 1.451 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1749459205 BJIHHGCSPMZKHL-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE C=C[C@](C)(O)CC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759934888 BPSGSVBKRNLZEW-HLXOMJDXSA-N 402.535 1.967 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1760206059 QAXUFBRRNJRHOA-IBGZPJMESA-N 412.515 1.448 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1760224287 DVUUPLFLBGVAAL-FQEVSTJZSA-N 420.583 1.084 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1760366248 UQUYLAPMSFSYKG-BBRMVZONSA-N 403.936 1.648 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760445617 QICNDFCYHKWAFL-UHFFFAOYSA-N 418.542 1.265 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760449016 XMHUURWPXNEUEE-GOSISDBHSA-N 413.526 1.863 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1761359880 BQVNGMLMMHVALF-LPHOPBHVSA-N 423.521 1.852 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765258424 YNSXZSPLBUGNJI-STGLLQLASA-N 411.466 1.415 30 10 HDEE CCn1cc(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CCOC)cn1 1765322211 HYMVFBNQZHHFLP-UHFFFAOYSA-N 400.487 1.145 30 10 HDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1769357179 FTMLWBPTYRIHDW-HNNXBMFYSA-N 413.482 1.225 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCN2CCSCC2)c1 1771530144 BSMPKJPFHXIYEH-QGZVFWFLSA-N 411.535 1.177 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1771533293 GOVLNOXRAYCHTR-OAHLLOKOSA-N 423.445 1.476 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)c1C 1772790676 UYHJZIYSANZKKE-UHFFFAOYSA-N 416.455 1.953 30 10 HDEE COCCn1nc([C@H]2CCCN(CC(=O)c3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1849384719 VRQNIDBZPWFYAN-SFHVURJKSA-N 409.490 1.960 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 1851225050 FQDBCPLCANBHBU-MJGOQNOKSA-N 410.474 1.709 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)c1C#N 1851784067 IKTDVNATNSUXIU-CYBMUJFWSA-N 421.445 1.319 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1snc(N2CCOCC2)c1C#N 1852379635 ADFGCCJRCDBTDA-CQSZACIVSA-N 411.487 1.867 30 10 HDEE COc1ccc(O[C@@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1853067875 IANKZIIGBKWYIN-HNNXBMFYSA-N 420.473 1.991 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cn(CC)nc2C)C1=O 1854191347 VYZVOARKADZEKD-ROUUACIJSA-N 401.511 1.451 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1855690004 RPHAEAABZBJGDS-SFHVURJKSA-N 411.568 1.055 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)C12CCCC2 1856250392 SWGYEDAQJHNAAE-KRWDZBQOSA-N 413.522 1.166 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cn3cncn3)C(=O)C23CCCC3)cc1 1856591992 GMLQAQDSKDWMTO-UHFFFAOYSA-N 406.446 1.016 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cn3ccc(C)cc3n2)C1=O 1856734913 AURVWESVFJEJCO-QZTJIDSGSA-N 409.490 1.493 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c(OC)cccc2OC)C1=O 1856748139 GMEQVXUBGGSBKK-HZPDHXFCSA-N 415.490 1.554 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)COc3ccc(OCC)cc3)C(=O)C2)C1 1856918714 VYAPTMMNNJPHNN-SFHVURJKSA-N 401.507 1.785 30 10 HDEE Cc1cnc(N(C)[C@@H]2CCN([C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3=O)C2)nc1 1857155973 KYKUKTLXWXFUGT-RTBURBONSA-N 404.474 1.609 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@H]1CCN(C)C1=O 1857239529 CHVNUARYYOHLJH-WMZOPIPTSA-N 403.523 1.287 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(C)c2)[nH]1 1871651428 RVZAUWGKXTUIME-UHFFFAOYSA-N 409.538 1.690 30 10 HDEE C=CCNC1=C(c2cc(F)c(F)cc2F)C(=O)N(CCCN2CCOCC2)C1=O 1873062291 GEFUJHGQAYIMCO-UHFFFAOYSA-N 409.408 1.682 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025896566 ZEVMPOCTLPHXOI-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE CC(C)C[C@H](NC(=O)c1cccc(-n2ncc(C#N)c2N)c1)C(=O)NCCN(C)C 2087881025 KYIBHBBXSRSVST-SFHVURJKSA-N 411.510 1.148 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@](C)(CO)C1 2118169710 JIGXFLAXSSQYGY-INIZCTEOSA-N 401.510 1.612 30 10 HDEE C#CCN(C(=O)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180112050 CALVYZIXYIKLDZ-NWDGAFQWSA-N 412.430 1.481 30 10 HDEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386830 IKPUOOCJXBWTNF-UHFFFAOYSA-N 406.292 1.494 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCCN2C(=O)OC(C)(C)C)n1 2247817108 SCABXSRHPVOXGA-UHFFFAOYSA-N 421.307 1.502 30 10 HDEE Cc1cc(C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2247817285 LRNFCAVYSQAMMG-CYBMUJFWSA-N 424.303 1.503 30 10 HDEE C[C@H](NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2247859432 VKLJRHNTVDZNGJ-QWHCGFSZSA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2247863534 SJBINFPELSTNKX-KGLIPLIRSA-N 422.287 1.289 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)S(C)(=O)=O 2267127799 LXPDZHJELXHINL-SECBINFHSA-N 407.750 1.864 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34COC[C@H]3C4)cc2Cl)OC1(C)C 2267356485 YPWMKXNRLMIATA-RFAUZJTJSA-N 405.734 1.768 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[C@H]1OC 2279473289 PYUSEEVJDFXSMY-BFHYXJOUSA-N 405.517 1.105 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2281825818 BXXYXDSLNSTFEK-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(C)CC(N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304116 GQKTVSQUHLCTFB-UHFFFAOYSA-N 400.375 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@H](O)C1 2282321681 AKQXWAISPPTSIV-STQMWFEESA-N 401.359 1.795 30 10 HDEE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343917 IMDBBHDRVGNLML-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282490140 GQFAFXDMDBLFOP-UHFFFAOYSA-N 401.359 1.833 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282499555 QEDLTNMUFNTWOT-VWLOTQADSA-N 401.359 1.174 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](OCCN)C3)sc2Cl)OC1(C)C 2282618830 OYEYGZQMGIQVOH-LLVKDONJSA-N 400.737 1.891 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282832382 OEIFSLIAIFKINR-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282837537 FNPYCRIWLFMISH-YPMHNXCESA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@@H](CO)CC3)c2)OC1(C)C 2282851324 AEBVADCLCKJGGD-XBXGTLAGSA-N 401.359 1.877 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1COCCO1 2282851944 JMOIFCRAKZLTEL-DGCLKSJQSA-N 403.331 1.130 30 10 HDEE C[C@@H]1CNC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852520 QEGXCSOEFMJPLO-STQMWFEESA-N 400.375 1.571 30 10 HDEE C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854305 PUUZTDZADOIMQR-STQMWFEESA-N 400.375 1.795 30 10 HDEE CNCC[C@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282866145 FAPJGZOYLGQHBS-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE C[C@H]1OCC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870657 VXTLFTJECSKCOG-CHWSQXEVSA-N 401.359 1.892 30 10 HDEE CN1CC(N(C)S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282871283 DRGKDCXPRAGDKA-UHFFFAOYSA-N 400.737 1.574 30 10 HDEE CC(C)N(C[C@H](C)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282873616 NUZZPLSTBSSLRD-ZDUSSCGKSA-N 403.375 1.968 30 10 HDEE COC[C@H]1C[C@@H]1NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282875850 VGHCZWACALOWOO-OLZOCXBDSA-N 401.359 1.977 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCC2(N)CC2)OC1(C)C 2282875912 WBNMSHHINASRDM-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC(C)(C)CNC(=O)OC(C)(C)C 2300230806 ONSIGSGYVPTNDI-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2300230839 PGRVDUREJUDEKJ-OLZOCXBDSA-N 420.319 1.505 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@]2(O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2319402677 CWXFPBPHNKOEFQ-PXNSSMCTSA-N 406.504 1.058 30 10 HDEE CCN[C@@H](C#CC1(OC)CCOCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2338335660 KKMRFJPBAOBTLY-IBGZPJMESA-N 402.491 1.547 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(NC(=O)OCc2ccccc2)C1 2346565949 CBRXAYKWAUNUHY-GNZRSQJKSA-N 422.503 1.574 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCCO)c(Cl)c2)OC1(C)C 2360780870 NNQWZQZYNDQTBK-UHFFFAOYSA-N 421.777 1.643 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2[C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365176587 RBEOFFSTEGZYNW-CVEARBPZSA-N 400.541 1.258 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C#CC(C)(C)S(C)(=O)=O)CC12CCOCC2 2365190954 JWPRNAPYBPLNEG-IBGZPJMESA-N 401.525 1.734 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2365197586 WITVINSBJAQTFG-KXBFYZLASA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365198554 GRSKYSNYUYAJGR-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365207982 BMVHYUULEQNMBB-XTDOFWJNSA-N 400.541 1.161 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2367802150 YQPGPUPTZMYOLH-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCCOC)NC(=O)OC(C)(C)C 2367805175 ZDUIOCFIADUMHT-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccco1 103123101 VZRPVMWHCJBGIM-SCDSTIRESA-N 402.359 1.618 30 10 HDEE CCOc1c(OC)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1[N+](=O)[O-] 169884296 BHSOOFYFHTZQHD-XDHOZWIPSA-N 411.484 1.132 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 409495365 MOZHVZWQJFMTGF-QGZVFWFLSA-N 418.523 1.758 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)c2ccc(Cl)s2)CC1 428278721 WRRIAZCTQPEDGB-UHFFFAOYSA-N 423.903 1.989 30 10 HDEE C[C@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS(=O)(=O)C1 433088135 CDYBYBUKASUURH-LBPRGKRZSA-N 407.883 2.296 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)c(F)c1 433446549 HGZRKPZXQVGIEJ-OAHLLOKOSA-N 401.485 1.027 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 433968272 HUVNFKYHQRCAPK-UHFFFAOYSA-N 407.474 1.690 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CCO2)c1 439832818 SCDAWIYJAMZMQC-LJQANCHMSA-N 404.426 1.834 30 10 HDEE CN(CCS(=O)(=O)NCC1CCC(C#N)CC1)S(=O)(=O)c1ccc(F)cc1 443221265 BPVPFJGJCRWLBI-UHFFFAOYSA-N 417.528 1.696 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2sc(C)cc2Br)CC1 462464301 JTLLFYCWJYWNRP-UHFFFAOYSA-N 422.370 1.428 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1=O 469018120 SEOOMLFTWRKRQD-UHFFFAOYSA-N 405.398 1.446 30 10 HDEE COC(=O)[C@](C)(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(F)cc1 485058106 OFCDDRMSDCMXOC-HXUWFJFHSA-N 418.446 1.817 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 505244529 JZVHUZBAOLFYJE-UHFFFAOYSA-N 413.478 1.048 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])cc4)n3C)CC2)c1C#N 508180245 AEIMLLDMWHWUQD-UHFFFAOYSA-N 407.438 1.631 30 10 HDEE CS(=O)(=O)Nc1cccc2c1CCN(CCS(=O)(=O)c1cccc(C#N)c1)C2 513787761 FAWNFLBFFWAYMX-UHFFFAOYSA-N 419.528 1.762 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 514835283 DJQIGPBTGRQYML-INIZCTEOSA-N 413.474 1.033 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O 521808437 XUOQCDURPOCXKT-UHFFFAOYSA-N 409.430 1.456 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C)Cn3ncc4ccccc4c3=O)CC2)o1 527002606 ZMIZSAQXKVHIPS-AWEZNQCLSA-N 420.473 1.986 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(Br)cc(C)c3C2)C1=O 537140336 ZPSPGVUZVULSON-UHFFFAOYSA-N 420.263 1.619 30 10 HDEE COc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1-n1cnnn1 543795533 AVSDUGAPEXSJHR-UHFFFAOYSA-N 417.473 1.959 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCCc3cnn(-c4ccccc4)c3)CC2)n1 546922129 YZNGWNIVZAUKSN-UHFFFAOYSA-N 415.501 1.620 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 549677039 NZWJUFKWKTVPDW-INIZCTEOSA-N 408.466 1.670 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 549690551 VCKFKNWTCPDPAG-GOEBONIOSA-N 423.543 1.259 30 10 HDEE COc1cc(CNC(=O)NCCCCN2CCN(c3ncccn3)CC2)ccc1C#N 558601688 KNINNKRXEVOKNW-UHFFFAOYSA-N 423.521 1.758 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561181534 ASDNHIGFQPIEPH-INIZCTEOSA-N 402.470 1.667 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](Cc2c[nH]c3cc(F)ccc23)C(=O)O)cc1C#N 572192997 RPEQOBQDSRHPMP-KRWDZBQOSA-N 402.407 1.856 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C#N)C(C)C 582443790 FJPABBAUBFGZGW-QGZVFWFLSA-N 408.524 1.299 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 588154575 WFZGQEVZHNLCTL-AWEZNQCLSA-N 417.494 1.622 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2N2CCN(CC)CC2)CC1 588767837 KQTGRHBSIUYLKX-UHFFFAOYSA-N 414.554 1.280 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)CC1 604194573 QLZXXODRZXYKJJ-MRXNPFEDSA-N 407.465 1.173 30 10 HDEE CN(C)CCC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609943740 AGXBYMXVBFWLJN-UHFFFAOYSA-N 411.437 1.842 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)no1 609993034 FHYNKMFVVGUYMP-OAHLLOKOSA-N 403.464 1.856 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 610371554 TZKFFXNTOADZMT-TZIWHRDSSA-N 401.507 1.596 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCC(C)(C#N)CC2)c(C)c1 611668466 LKFIBRXNQNWYIG-ROUUACIJSA-N 419.547 1.888 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669808041 IASIKDOAELYBKM-RXVVDRJESA-N 423.565 1.829 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 670209067 VPJUSIJGIRAKTB-QGZVFWFLSA-N 404.515 1.670 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCN)c1 703971826 JWXNINGYURGOHC-HNNXBMFYSA-N 411.483 1.273 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCCOc3c(C#N)cnc4ccccc34)cnc21 726366150 QHRXDBNEFVDLGC-UHFFFAOYSA-N 404.386 1.172 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccccc2Cl)C1=O 732465126 CNXAXAOAXKXYEJ-WPCFGXOUSA-N 417.853 1.271 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732702026 PLGZGAAWPOIPHQ-GOSISDBHSA-N 420.558 1.311 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@H]1CCCO1 732795735 VOLCUDIHTUTBPZ-MRXNPFEDSA-N 414.531 1.594 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 734292356 KIWHVMXYZTULHF-YUELXQCFSA-N 403.460 1.235 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CCCC 735069068 LKFPSRMZWWKSQF-UHFFFAOYSA-N 415.563 1.736 30 10 HDEE CCN1CC[C@H](N(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 742706262 TWETUOOFSHTYQB-ZOBUZTSGSA-N 406.552 1.692 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cc(N3CCOC3=O)ccc2F)cc1 744007417 IFHFVOLPQOYSDP-UHFFFAOYSA-N 403.391 1.914 30 10 HDEE COc1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1C#N 747070129 JDOXWCYTSCGKBB-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE C#CCN(CC#C)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 752302929 VKUXMWOTCQOZCJ-UHFFFAOYSA-N 400.504 1.146 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)cc2)C1 760299030 HNYKDJIDDOJQKG-HZPDHXFCSA-N 417.535 1.866 30 10 HDEE Cn1ccc(CN2C(=O)[C@@H](CC(=O)NC3CC3)S/C2=N/CCc2ccccn2)n1 765548960 VNPWDSMIQLHQBY-MBOBHEEDSA-N 412.519 1.527 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 773874299 BUJMTJCZMHCRGZ-UHFFFAOYSA-N 413.409 1.215 30 10 HDEE C#CCN(C(=O)NCCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1 774207921 CAUOAXFXMDIUEW-HNNXBMFYSA-N 422.894 1.764 30 10 HDEE C#CCN(C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CCS(=O)(=O)C1 774219720 MZILPPYKCSZLCO-OAHLLOKOSA-N 422.894 1.764 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774242975 GJDJCUFBPLSKLS-SFHVURJKSA-N 405.520 1.164 30 10 HDEE C[C@H](c1cccc(F)c1)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 775535357 IZGAPZUBFBDWKM-WGLILOHCSA-N 400.454 1.947 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 776918573 OPAUKADVEOIPCF-GHTZIAJQSA-N 400.454 1.936 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 780979159 AHCQCBLNACYJMX-KRWDZBQOSA-N 404.515 1.603 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1C#N 785224387 XYCSIZFSOXDPMZ-AWEZNQCLSA-N 406.464 1.392 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)[C@@H](O)Cc2cnn(C)c2)nc1C 786924067 YJYCKCZMEVPWRZ-NSHDSACASA-N 405.509 1.460 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3cccs3)CC2)n1 789320919 LWWSNASJORKAHU-UHFFFAOYSA-N 415.563 1.371 30 10 HDEE COCn1nccc1S(=O)(=O)Oc1c(Br)cc(C#N)cc1OC 790035694 VIJLVLOQXKDDJH-UHFFFAOYSA-N 402.226 1.897 30 10 HDEE CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[C@@](O)(C(N)=O)C2)c1C 795951342 PKJOZFQYWOCQRM-SFHVURJKSA-N 400.545 1.471 30 10 HDEE O=C(Cc1c(F)ccc(Br)c1F)NCCN/C(O)=C1\N=CC=CC1=O 800490915 QNSHBCWWNXCCEM-FOCLMDBBSA-N 414.206 1.912 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812273594 DVBVYHDMMFQNND-UHFFFAOYSA-N 406.458 1.863 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(F)cc1 812934214 RYQHTEUKSBVCNE-KRWDZBQOSA-N 420.466 1.821 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)Cn1cnc2c(cnn2C)c1=O 823788615 CPODINCWKZPSNV-UHFFFAOYSA-N 412.402 1.259 30 10 HDEE Cc1sc(=O)n(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1-c1ccccc1 1124651879 VWWZFTNSBNERNF-UHFFFAOYSA-N 424.486 1.955 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 1131128114 CKGXKCYPGZBZPE-INIZCTEOSA-N 410.565 1.863 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N(CCC(F)(F)F)C[C@H](O)CO 1137620083 OCBWRHQVQOCNLM-AWEZNQCLSA-N 401.385 1.801 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)c1ccc(Br)cc1 1141460719 FFLOYTRJAARIIT-CABCVRRESA-N 408.296 1.646 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(OCC)cc1 1141496262 NXGQSUPBLMSWMP-MRXNPFEDSA-N 423.498 1.930 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2)C[C@H](C)O1 1142585999 ICNKZZXSGYPGSS-OALUTQOASA-N 400.523 1.988 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)ccc2c1=O 1143642665 CVAFECMYWDDCRK-AWEZNQCLSA-N 412.475 1.771 30 10 HDEE C=CCOc1ccccc1CNC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1146894716 CPBFWYIXQGZUAV-HNNXBMFYSA-N 404.488 1.841 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1149468750 GXWJHZKJUJCFLO-DYESRHJHSA-N 400.479 1.941 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCN(c2cccc(Br)c2)C1=O 1152128036 CVQRNELVLIBQES-CQSZACIVSA-N 408.252 1.717 30 10 HDEE N#C[C@@]1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC2CCC1CC2 1154702825 WASKBJCBPAIZKQ-ZUEPYMLJSA-N 422.473 1.684 30 10 HDEE C=CCOC[C@H](NC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1155778783 ABMBNGWROBTZRI-ZFWWWQNUSA-N 422.482 1.608 30 10 HDEE C[C@H](CC#N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1161792645 NZYPSLBQCSGATJ-DJIMGWMZSA-N 419.526 1.930 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CC1 1167535765 SRSGSXRZIZLQPV-UHFFFAOYSA-N 404.532 1.691 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 1196623690 SVAQLJJLQHQVQN-QWHCGFSZSA-N 410.565 1.697 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1 1214686580 BAKCORNHSRKHJD-UKRRQHHQSA-N 415.537 1.580 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1215223581 MKLPSTWETXQCTD-CVEARBPZSA-N 409.512 1.018 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)CC1 1221217814 FDZHMXPWQLUFOV-UHFFFAOYSA-N 400.479 1.507 30 10 HDEE C=C(C)CCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1228664974 IQDVWAVFWXQJRW-UHFFFAOYSA-N 416.544 1.229 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1230432769 IWFLLUZNCYEGKS-CQSZACIVSA-N 401.529 1.464 30 10 HDEE CC(C)C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1252094180 NHAUXMRJFZMLHG-ZDUSSCGKSA-N 419.482 1.391 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H](Cc2ccccc2)c2ccccn2)c(=O)nc1O 1256099595 TXOHYWULUGJCGJ-GOSISDBHSA-N 404.430 1.499 30 10 HDEE N#C[C@H]1COCCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1265143784 GRZLGTJHHYFISX-ZDUSSCGKSA-N 401.282 1.754 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)COc1cccc(Br)c1C#N 1266291240 AEJXMNVWQJFVGV-UHFFFAOYSA-N 403.298 1.981 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1268953708 WZDPHQXHRPAZNT-NSHGMRRFSA-N 415.538 1.349 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1286295571 JJWKEKOZZJTOHI-AEFFLSMTSA-N 417.535 1.426 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1286296485 PJYKGMYNFFRJJD-JSGCOSHPSA-N 417.482 1.114 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)NC)c1 1286312635 XIESVBFNIWMIRB-QGZVFWFLSA-N 410.478 1.322 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286384279 HEMRPMXMTXQEAF-KZNAEPCWSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286389583 MTJDBPXTURSHNU-IEBWSBKVSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286390310 AFIKWGGENCVLFI-OKZBNKHCSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1286399788 NZHHARMUKLBMJW-LBPRGKRZSA-N 423.486 1.257 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286671242 PYXWQTNGNQOWIK-LSDHHAIUSA-N 424.571 1.302 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C 1286717214 YKWRTWGZGZNSDE-SFHVURJKSA-N 418.586 1.911 30 10 HDEE C=CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286834972 OQWLBPAXOABODA-INIZCTEOSA-N 418.567 1.077 30 10 HDEE C[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1291259829 YUYUFSCXHWQPDT-IAFNSTAXSA-N 402.499 1.618 30 10 HDEE CCc1nc(CCn2c(C)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)no1 1292699028 HHGPOQYCECDGAW-UHFFFAOYSA-N 406.494 1.969 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[C@@](C)(C#N)C2)C1 1295475101 LLOWXYVOPDOKJS-MDASCCDHSA-N 411.524 1.420 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2CCCCO2)CCOC1 1296663428 IFFBIZOSVWCAEP-ABSDTBQOSA-N 405.499 1.618 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3NC(=O)CC34CCCCC4)C2=O)cc1 1297561878 JKRAWACLQZJONG-INIZCTEOSA-N 409.446 1.730 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1 1297760579 SIIYVAJRKWRBIQ-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1)[C@@H]1CCSC1 1298158787 BQNYHKRGSFATCN-QWHCGFSZSA-N 407.521 1.635 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)C1 1299071405 DVVARDWJSQENRT-VGOFRKELSA-N 408.506 1.940 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCCN2CCOCC2)c1 1300332105 WTAARCJRKHJBHL-UHFFFAOYSA-N 410.522 1.755 30 10 HDEE C#CCCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424196 COLSWIPAEZEBLQ-NHCUHLMSSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1300459492 DGHSVSFJRIOWAL-HXUWFJFHSA-N 405.506 1.649 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1300519990 DDYZMCAQNXOIKI-UHFFFAOYSA-N 413.420 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)cc1 1300590391 AUNILEMWLKYZFM-UHFFFAOYSA-N 404.474 1.011 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1301124388 HKGAJDLKFGXSJG-ZWKOTPCHSA-N 424.567 1.778 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301185790 KOBCAOKVKABLCS-JKSUJKDBSA-N 409.556 1.989 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1301967237 BNIITVWFKFIDHA-GOEBONIOSA-N 410.544 1.397 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1302452898 FLBBEMWIRLVZAT-QGZVFWFLSA-N 409.494 1.304 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1303646562 SRSHPNYYIXNQCD-DOTOQJQBSA-N 418.505 1.976 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 1303793273 ZHYKIZSAJQXEKU-WOJBJXKFSA-N 406.486 1.792 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1306198540 MRLFTOUCRHFQSF-MRXNPFEDSA-N 408.510 1.348 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(CO)(NCC2CC2)CC1 1307826474 FCHJFZLUJZRRLW-UHFFFAOYSA-N 408.506 1.509 30 10 HDEE C=CCCCS(=O)(=O)N1C[C@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1309891586 AKJWZWGOFACSAD-CQSZACIVSA-N 402.513 1.624 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)n1 1313050787 FFQMYGIYTBNTID-IBGZPJMESA-N 416.503 1.344 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314667876 XGLFPVUBBWKHDK-ZWKOTPCHSA-N 401.559 1.894 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@](O)(C(F)(F)F)C3)C2=O)cc1 1320768626 SBWOIEWXYOCBAI-SUMWQHHRSA-N 410.352 1.289 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1320994216 RCOPLIVXMPMGKZ-UHFFFAOYSA-N 419.526 1.044 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1323756692 LYTJQIQITZEXAW-ZOBUZTSGSA-N 414.911 1.267 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCNC(=O)c3cc4ccccc4[nH]3)CC2)nc1 1357209371 GDAHQPXFKQNZLF-UHFFFAOYSA-N 402.458 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCOCC1 1358881564 IQVJGBFIUSACFB-HNNXBMFYSA-N 400.479 1.962 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1358926763 BQFAXFLUEPXRIL-HNNXBMFYSA-N 419.489 1.400 30 10 HDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358928771 KDGGEUBAZOTFEV-UHFFFAOYSA-N 400.527 1.923 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1358960986 POCAVWMPOXUWNG-INIZCTEOSA-N 414.491 1.255 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccc(C)cc1 1359022448 AGNNYVZIMUXKCO-UHFFFAOYSA-N 419.489 1.560 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1359025202 GXOZSPWRFRSOSL-GOSISDBHSA-N 423.477 1.546 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359056386 DPOWIFRBWDZHTM-BZUAXINKSA-N 412.581 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1 1359063858 GFHHTBAFRQBNTL-YVEFUNNKSA-N 423.568 1.343 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(N)=O)C1 1359102253 ZDEWZFNXVDFQNG-HBFSDRIKSA-N 410.522 1.947 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccn2)CC1 1359332407 WWODCCXOYRFTKY-UHFFFAOYSA-N 417.539 1.263 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1359471961 CRRDUPRTDYXBDG-NVXWUHKLSA-N 408.510 1.869 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2ccccc2C1 1360247569 BTHQQLPWKSPEST-LJQANCHMSA-N 423.521 1.203 30 10 HDEE CSc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1441008144 GQNYJBRQKMRMPE-UHFFFAOYSA-N 403.489 1.217 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)ccc1OC 1443926269 LIVUNHVRQXYHIK-JLTOFOAXSA-N 402.451 1.761 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)s1 1446051209 QRHHBIURSHXPHE-LSDHHAIUSA-N 400.522 1.161 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1NC(=O)CC12CCN(C(=O)OC(C)(C)C)CC2 1450402903 YQCCHYRDVRWLDH-UHFFFAOYSA-N 415.450 1.614 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C 1451885215 XTFUSLWZEVTHJY-ARSDKDGVSA-N 400.397 1.679 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CC[C@@](O)(CC#N)C2)C1 1452256027 ZVVSZXPXANWFRW-YYWHXJBOSA-N 401.463 1.680 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCC#C[Si](C)(C)C)CC2)cc1 1453125110 OFDVUKDIIMPEDG-UHFFFAOYSA-N 421.639 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 1454041276 KARKNINLKIEICG-CQSZACIVSA-N 402.398 1.881 30 10 HDEE Cn1c(NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(C#N)c(=O)n(C)c1=O 1458488241 WAVWLKBBNMNYBW-IBGZPJMESA-N 415.453 1.765 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nnc3c2CCCC3)cc1 1464274679 WKUNPRGWOMRGHP-RELWKKBWSA-N 416.507 1.608 30 10 HDEE C#C[C@@](C)(CC)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1468173715 RESIYRASHINGNZ-FQEVSTJZSA-N 402.520 1.987 30 10 HDEE COc1ccc(CC(=O)NCc2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)cc1 1468452594 IFZPACZNKBKRHK-IBGZPJMESA-N 411.458 1.664 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)cc1S(=O)(=O)NCC#N 1470020698 PUBPZGGMLHWPRV-MRXNPFEDSA-N 412.471 1.114 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](C)[C@@H](O)C3)nnc12 1472537742 FXXVWNHLLPQPCQ-BBRMVZONSA-N 413.503 1.552 30 10 HDEE N#CC1(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)CC1 1478543929 SXTOVLBVSIWXGY-ZDUSSCGKSA-N 424.242 1.777 30 10 HDEE Cc1ccccc1[C@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1492574323 PXUAGOIEEORAKT-DCDYOYONSA-N 422.489 1.999 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1503837377 VWVWKEZLUDELFY-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE CO[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O)C(C)C 1503975342 FANSWEYCOVHNRR-QGZVFWFLSA-N 405.524 1.969 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1504821850 GIDZUSHQOOWGFC-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCC1 1505151800 GDWWDBUTAXXTIU-GUNSETOZSA-N 412.519 1.430 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccccn3)n2CCC(=O)NC)c1 1507549316 FZXNISLPRAIZST-UHFFFAOYSA-N 417.473 1.532 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507630837 INNCFCCZIZHOOJ-OAHLLOKOSA-N 407.540 1.087 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507633474 DYUTYHIFXATNFX-MRXNPFEDSA-N 419.576 1.925 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccncc2)CC1 1507733347 VHBMDCACYXGECM-PMACEKPBSA-N 410.522 1.395 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@](C)(O)CCOC)CC1 1507739116 MVLSTJJWMBXPCB-QFIPXVFZSA-N 417.554 1.689 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507759164 CATOYIUEDFDQIM-QGZVFWFLSA-N 403.552 1.945 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2C)C1 1508087794 PXHVKWGSDLQJQE-WMZOPIPTSA-N 408.506 1.834 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC(C)(C)C2)C1 1508120711 AOVFLLFUBTXKIR-DLBZAZTESA-N 418.542 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H]1CC 1508140597 OVPKKWZJJSKZJU-AWEZNQCLSA-N 421.523 1.985 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)C1 1510288477 BJBOJYSEBZZVFG-GOSISDBHSA-N 400.508 1.925 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)C1 1510289902 RUGPHFJHOXVREI-LJQANCHMSA-N 406.556 1.760 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1=O 1519206186 IKSKKGHVYYTWBJ-LJQANCHMSA-N 422.489 1.457 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1nnc2n1CCC2 1519409856 QJSWTUYAMIUKFM-KEYYUXOJSA-N 400.487 1.184 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(CCCCO)C1CC1 1519523144 OKLLOCNSJNDQQB-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE C#CCN(C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1528599887 JXZKPWAZTQUIEY-HZPDHXFCSA-N 400.541 1.965 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccnnc2)cc1 1530976910 YQVPCHVWUAGFJV-KRWDZBQOSA-N 415.475 1.494 30 10 HDEE C=CCn1cc(CNC(=O)CCN2C(=O)COc3cc(Br)ccc32)nn1 1536910513 YUBQATSBXIWTIY-UHFFFAOYSA-N 420.267 1.659 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCn4cc(C(F)(F)F)nc43)C[C@H]1CS(=O)(=O)C2 1538309548 BMYQKOUCRONHDL-RWSFTLGLSA-N 402.398 1.176 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1538970580 COMLTSVLXTYNER-YESZJQIVSA-N 418.567 1.871 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1538992541 TWVOQNRASODXRT-OAHLLOKOSA-N 400.479 1.962 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1539140148 MWLXEWVWJDIHEW-UZLBHIALSA-N 416.482 1.613 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1Cc1ccccc1 1539259848 IQFGPZCNCKYUNZ-RTWAWAEBSA-N 416.529 1.967 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1539368668 ARYLSMTWZTVYTR-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1540014049 ZDDRSKSOGVNQNE-UHFFFAOYSA-N 402.524 1.938 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cn(C2COC2)nn1 1540198908 SWTHWYMFKICAEY-HNNXBMFYSA-N 403.487 1.022 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](CO)O2)C1 1540895963 CJQQGFMLRZVFRV-FKSLSLAPSA-N 422.526 1.323 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2CCC[C@H]21 1540907209 ORHZUMJDOMIUTQ-DLBZAZTESA-N 421.567 1.770 30 10 HDEE CCO[C@@H]1COCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120720 CYUOCXTXHMRRKE-PKOBYXMFSA-N 421.519 1.223 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nc(C(F)(F)F)cs2)cn1 1554333088 CXQPCILTEOKQTJ-NSHDSACASA-N 424.412 1.931 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1554482663 GIWXBLOUSANPRI-QGZVFWFLSA-N 404.478 1.680 30 10 HDEE N#Cc1cncc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1558449887 LQVNTETWRUBHAM-UHFFFAOYSA-N 404.423 1.043 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3nccn3C)CC2)c1 1566629968 TXOATXUJKDZYDM-LJQANCHMSA-N 415.515 1.803 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2ccc(S(C)(=O)=O)nc2)cc(OC)c1OC 1584302845 SKRYOSZQLIHKHE-ZDUSSCGKSA-N 405.432 1.506 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)Cc2ccc(F)c(Cl)c2)C1=O 1585220701 OPXNTXIVWXYXGC-UHFFFAOYSA-N 411.817 1.431 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588049815 LNNPPJOBPNSOIN-WMZOPIPTSA-N 415.519 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588117379 FBKAJMQJSHMQDG-VZCXRCSSSA-N 400.442 1.544 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1588253888 IEBPEPIGDDMUCZ-VGSWGCGISA-N 412.465 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)C2CC2)CC1 1588751013 HVLVSFFTEAHYKQ-GHTZIAJQSA-N 403.527 1.110 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1 1588774832 HOPTUJCFAJTUQF-NSHDSACASA-N 415.340 1.167 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)N2CCOCC2)CC1 1588800244 BLIQRTOOLAESJI-UHFFFAOYSA-N 411.554 1.150 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589482179 HBKVOSZRAMQNEB-XLIONFOSSA-N 416.570 1.783 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCC2(O)CCOCC2)CC1 1594409158 SVWCEXKQVFKEQX-UHFFFAOYSA-N 403.527 1.735 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594624786 BJJQGRXFPVTYRV-DLBZAZTESA-N 416.526 1.905 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1COCCO1 1595302758 DJOFOCHZCKGQNN-GOSISDBHSA-N 412.494 1.571 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1c(C)nn(C)c1C 1595530085 SAFKHXNCJNLZSI-UHFFFAOYSA-N 408.510 1.937 30 10 HDEE C[C@H](CC(=O)N1CCN(C2CCCC2)[C@H](C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1595714315 TVSPYJKHZCRKJS-HZPDHXFCSA-N 418.563 1.979 30 10 HDEE C=CCn1cc2ccc(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)cc2n1 1597381483 YDNKHFAORAGLDC-HXUWFJFHSA-N 411.506 1.874 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ncn(C)c2Br)c1 1598020305 USRMYWRABMLYTF-UHFFFAOYSA-N 424.320 1.952 30 10 HDEE Cc1cccc(OCc2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)c1 1612246025 DOZRVBAIRKZGNJ-UHFFFAOYSA-N 406.446 1.957 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1613342294 HAYFXHYVBSLBLK-FUHWJXTLSA-N 411.510 1.800 30 10 HDEE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1616332727 HOMKPZQLRUVFQM-CVEARBPZSA-N 422.279 1.282 30 10 HDEE N#Cc1c(NC(=O)Cc2cc3c(cc2Br)OCCO3)nc2n1CCOC2 1617124825 GRGKFMMCNATBCS-UHFFFAOYSA-N 419.235 2.000 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1CCCNS(C)(=O)=O 1617869359 ULDOWBSLXIRTKH-UHFFFAOYSA-N 402.524 1.993 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1619131119 XTAOWLRSSRMHTO-JLTOFOAXSA-N 414.441 1.683 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@](C)(Cn1cccn1)C(N)=O 1620657385 QBVKVTZCOWCDRA-AUUYWEPGSA-N 400.508 1.750 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1625694423 QRKAPLLSNZNZBS-KRWDZBQOSA-N 423.558 1.444 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 1629067784 NCKSHCSDDRMJEK-UHFFFAOYSA-N 402.495 1.059 30 10 HDEE Cc1cc(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)ncc1C#N 1630283177 RNVPLHNXQFZWLH-GOSISDBHSA-N 408.458 1.866 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CC(=O)NC2=O)cc1 1630687293 OSPHJYSWGHLVPX-ACIHENLCSA-N 420.491 1.271 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1632950309 SHDWZYIPJNKJSO-LSDHHAIUSA-N 416.544 1.504 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)c1 1634131986 RZSHHAWVZKLMCX-CQSZACIVSA-N 403.426 1.355 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1634543169 JJTABFPCDBNEKR-HZPDHXFCSA-N 412.531 1.783 30 10 HDEE C[C@@H](NC(=O)c1ccc(COc2ccccc2C#N)o1)c1nnc2c(=O)[nH]ccn12 1634654353 YVOXEJKWEYBCLA-GFCCVEGCSA-N 404.386 1.952 30 10 HDEE COc1cc(F)cc(C[C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1636076664 YZLYEZHJZWWLOR-LLVKDONJSA-N 401.398 1.166 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2c(I)cnn2C)CC1 1637927534 HFSJHLQUDYJEIX-UHFFFAOYSA-N 402.236 1.085 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O 1638362569 VCSMBPSTQUNWQP-ZDUSSCGKSA-N 411.480 1.546 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ccc(OC(F)F)c(F)c2)c1 1638731502 BKCYAGIGELXUCQ-UHFFFAOYSA-N 413.377 1.893 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)C(=O)OC 1639559302 XHODGAAGYCTSMA-ZDUSSCGKSA-N 413.496 1.571 30 10 HDEE C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@](C)(O)c1ccccc1 1639708669 FHOSJOQWJACOAL-YCRPNKLZSA-N 415.515 1.918 30 10 HDEE Cc1nc(=NC(=O)COCCNC(=O)OC(C)(C)C)n(-c2ccc(C#N)cc2)[nH]1 1641300465 FZXQXNUMPCEFOC-UHFFFAOYSA-N 400.439 1.349 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C(=O)OC)C2CCCCC2)c1 1643203829 GCGWCIYYNFDRBZ-GOSISDBHSA-N 406.504 1.697 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)c1 1649408287 IBECIHATWCSVFC-UHFFFAOYSA-N 405.414 1.793 30 10 HDEE C[C@@H](CC(=O)N1CCC(C)(N2CCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1650951848 TWABPIDOAXWFOK-HNNXBMFYSA-N 404.536 1.591 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Oc2ccc(F)cc2)C1 1651393550 FIARLZPELNPVPX-INIZCTEOSA-N 417.462 1.934 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1 1653281585 SJQLVDGFXWECLE-UHFFFAOYSA-N 415.427 1.524 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)c1 1653671879 OBNFHHZKORQQRW-KRWDZBQOSA-N 403.508 1.827 30 10 HDEE COC(=O)N(C)CCN(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654278220 DNUDAYZNRRHGSE-GOSISDBHSA-N 405.474 1.165 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1)C(=O)OC 1655131364 BIOGPJKZDXCFNY-AWEZNQCLSA-N 405.831 1.876 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1655570143 HIBOIYGPVPIKDI-CABCVRRESA-N 404.533 1.328 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C(=O)OC 1655866937 UEEBOTDTZSJIKC-HONMWMINSA-N 405.476 1.329 30 10 HDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccccc2C#N)CC1 1659933648 FANUWDGICPCXJK-HNNXBMFYSA-N 419.425 1.894 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1676513509 HHVMPENSRNJNHR-UHFFFAOYSA-N 406.552 1.616 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 1679365830 PJTSCGGQYYVLQQ-PBHICJAKSA-N 411.499 1.778 30 10 HDEE COCCOC1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CCOCC1 1682520141 DQAIEZPMLDUXMU-IBGZPJMESA-N 403.479 1.853 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1683027013 JZTLZZVYSYHCBV-UHFFFAOYSA-N 403.487 1.672 30 10 HDEE COc1ccc(-c2cc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)on2)cc1 1683743510 XFILQNKZMUIJEJ-IFXJQAMLSA-N 416.459 1.430 30 10 HDEE C#C[C@H]1CCCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1684030329 VRTSNPFTOLGTFL-JKSUJKDBSA-N 413.540 1.465 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCOCC1 1684134890 CHUDSCHVYQEMGW-DLBZAZTESA-N 407.511 1.883 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)n1 1684568708 YKXSASKXSPGPFS-MRXNPFEDSA-N 414.466 1.193 30 10 HDEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1686090103 HBPGTZMUJVDNMP-UHFFFAOYSA-N 413.540 1.626 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(c2ccccc2)C[C@@H](NC(=O)NCC(=O)NCC#N)C1 1686402982 MFKLLFAYPVGNIY-NBEIKUQISA-N 415.494 1.550 30 10 HDEE N#CC1(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CCOCC1 1687830445 ZJYXUVYUWUZTQO-QFIPXVFZSA-N 412.490 1.520 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1689847778 HTSMSCJWQJIBLU-OYHNWAKOSA-N 422.489 1.455 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CC(=O)N1CCOCC1 1689945704 IENAEEACCRURFJ-SFHVURJKSA-N 411.506 1.963 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC 1690067955 RFAKKRMJXFXRLG-OAQYLSRUSA-N 400.479 1.963 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690461068 TXEOROGEYPGXOY-KRWDZBQOSA-N 424.553 1.881 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1690523932 UBUAZGRELRCYFJ-UHFFFAOYSA-N 403.556 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCOC(C)(C)C 1690722175 AGDSTQJLKQCGAP-UHFFFAOYSA-N 408.528 1.587 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCOCC1 1690729561 QRLBDAQERLWDKW-UHFFFAOYSA-N 410.471 1.434 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1698193735 HOJHKLDYLIPPMQ-MRXNPFEDSA-N 409.450 1.880 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CN3CCCC3=O)n1CC(F)(F)F)C2 1698486407 XSTKVGOABMMGJS-UHFFFAOYSA-N 421.383 1.498 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCn2cnnn2)c1 1705507534 FJNDEZOWHQBOPR-UHFFFAOYSA-N 419.493 1.364 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1705547683 MINWKFRWFJJOEN-UHFFFAOYSA-N 409.450 1.185 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1705551236 JWNHRJKKWNHWDW-SJLPKXTDSA-N 419.526 1.692 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705585238 OMTMTZWWYGXLMA-XMMPIXPASA-N 417.513 1.983 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cnccc1OC 1705630490 VDSGQZMINWZNDZ-UHFFFAOYSA-N 409.494 1.678 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1705642130 IEXGWBFCZXACJU-NRFANRHFSA-N 418.501 1.829 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705647102 AGTOJELNDMUXDX-KSFYIVLOSA-N 423.521 1.252 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)COCC)CC1 1705647523 GAHKMDAAJBJQHI-SFHVURJKSA-N 417.554 1.811 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1705672738 HBPPCOSQVVQMOG-VQIMIIECSA-N 407.540 1.200 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1705820003 YPHQNUJKISUSAB-KRWDZBQOSA-N 417.535 1.882 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CCc1cnccn1 1705906025 PLFDVIPJPFCGOR-UHFFFAOYSA-N 412.523 1.405 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1C(C)(C)C 1705938982 OKOGDRDWVRRXIV-MRXNPFEDSA-N 406.556 1.353 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CC1 1712885200 CLYSDSAHGZRZHC-INIZCTEOSA-N 411.466 1.269 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722325713 BMQVJZQQRNDYQU-HNNXBMFYSA-N 410.478 1.950 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(C)(C)C(=O)NC)CC1 1722445359 VUNRPQADFFMAGT-OAHLLOKOSA-N 402.543 1.530 30 10 HDEE C=CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722609983 JOWKPHJJLCRIKD-INIZCTEOSA-N 414.897 1.712 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722641903 ILCYXDYWQSCZIH-UHFFFAOYSA-N 412.519 1.776 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722690241 CECHOKOFTIYOCV-SJLPKXTDSA-N 413.526 1.969 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722695140 USPVWWIHDIVQME-ZBFHGGJFSA-N 413.478 1.226 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1722726243 ZTECHNAXSAAMOH-APWZRJJASA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1722739993 ZNOGYLJQTIBQPP-CQSZACIVSA-N 400.570 1.715 30 10 HDEE CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1722971039 BJYYUINIUCMPNG-LJQANCHMSA-N 405.478 1.147 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCO)CCOC1 1723691450 LMQKEVRQSFENJA-XLIONFOSSA-N 407.515 1.600 30 10 HDEE Cc1nnc(N(C)CCOc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1726363234 PNRRQHNWXFMDQA-VHEBQXMUSA-N 414.441 1.767 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1730684380 NMARPVBUGKLTIJ-UHFFFAOYSA-N 405.462 1.832 30 10 HDEE C#CCN1CCC(C(=O)N(C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CC1 1739082825 AKMSCNXZCHENNS-TXVWBRJLSA-N 401.551 1.450 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1740548400 APNILGVEDBFWOS-SUNYJGFJSA-N 408.549 1.607 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1740576987 OJZPHIIJGVBPMY-UHFFFAOYSA-N 408.510 1.321 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740588902 JELDJWLWRXGKLB-CYBMUJFWSA-N 411.491 1.989 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)N1CCN(CC)CC1 1740685580 OGWIVNXVVDARQU-VQTJNVASSA-N 418.586 1.284 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(OCC(N)=O)CC1 1740781994 RAPGZURVQUPWHE-UHFFFAOYSA-N 423.477 1.641 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cncn2)C1 1740886831 USERCUWKXDBFIN-KRWDZBQOSA-N 414.514 1.426 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740889415 ALICPBYDPPKYGC-HZPDHXFCSA-N 404.471 1.992 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1741802963 MRCQZEGFQUMSHB-HOCLYGCPSA-N 422.555 1.225 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1743358922 OYZSWPWSYWDJQO-UDJKBAMHSA-N 408.462 1.697 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)O1 1744211131 HTXRYFLBFYUTJT-WFXMFSGNSA-N 423.539 1.257 30 10 HDEE CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1745962122 BNRQYESGDXXSNG-ZDUSSCGKSA-N 413.463 1.261 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1746674423 FXDCZRPRQFATIF-VKGTZQKMSA-N 407.540 1.581 30 10 HDEE CCOC1CC(O)(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1746952133 CCZAMMOZBCRYCU-WUJZJPHMSA-N 403.508 1.589 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nncn1C 1748951360 UELYUTPIQUFACN-HNNXBMFYSA-N 413.457 1.820 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)C(C)(C)C)CC1 1748991393 VUBGYHUIBIUZNA-QGZVFWFLSA-N 423.583 1.488 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1749230328 XAAHYCCCXRRUHV-ROUUACIJSA-N 423.583 1.447 30 10 HDEE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749608576 BIMDJPVYPJKQHV-NRFANRHFSA-N 411.510 1.536 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](CC)C1 1749658873 XCZATRIMEUWQRN-INIZCTEOSA-N 421.509 1.849 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@H]1CC 1749721352 HXIPOLLLTMVCPU-HZPDHXFCSA-N 409.556 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(C)CC1 1749721748 SNCHCZVJHLVHAH-UHFFFAOYSA-N 416.507 1.683 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCCC2)nnc1N1CCCOCC1 1750420525 XJMAJFVXFVBRKC-HTXNQAPBSA-N 400.483 1.689 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1750568955 HBKWESIGUJIIHL-JOCHJYFZSA-N 421.505 1.448 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C/C=C\c1ccccc1 1751230966 FOFCLRAXIKHMEX-BQUHIEPJSA-N 416.507 1.330 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cnnn2C)c1 1760128943 WUSWHAYGBDCQRE-MRXNPFEDSA-N 420.477 1.015 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnn(C)c1 1760195991 CSQOAONDLPQWMA-UHFFFAOYSA-N 420.473 1.826 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCc1cnn(C)n1 1760221499 YXEDOPLWEXHFFZ-UHFFFAOYSA-N 408.535 1.858 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)CC1 1760260625 ZSIDBUFXXORBIU-UHFFFAOYSA-N 422.436 1.043 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760272571 OVFNZRBXMUXXHG-INIZCTEOSA-N 411.597 1.772 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1 1760289318 NUUUARAYNSCIOS-SQGPQFPESA-N 422.599 1.612 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1760358948 CMQVIFBNLIXGQE-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCCC2)CC1 1760382696 WPCNJMMQWHZLNK-IAGOWNOFSA-N 410.588 1.777 30 10 HDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1761171068 IAHWKXNNHPADQB-QGZVFWFLSA-N 411.510 1.381 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@](C)(C#N)C1 1767844517 AOHQPTRTFIZJMJ-KRWDZBQOSA-N 423.930 1.673 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cc[nH]n1)C(=O)ON1C(=O)c2ccccc2C1=O 1772787474 JPYJYECGQVYDHF-CQSZACIVSA-N 400.391 1.600 30 10 HDEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)Cn2ncccc2=O)CC1 1852071256 JOXDWWQRJUTZPO-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1852452166 ROGPYPHNKULDNW-AWEZNQCLSA-N 413.482 1.588 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccc(Cl)cc2)C(C)C)CC1 1852688751 MMIVOPYCIZAXAT-GOSISDBHSA-N 411.955 1.810 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccc(C)cc3OC)C(=O)C2)C1 1853679117 DFTKJTSGZMZSDR-ZWKOTPCHSA-N 401.507 1.702 30 10 HDEE COc1ccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1F 1853947653 XXPNBDAMTRMFQO-CQSZACIVSA-N 406.391 1.867 30 10 HDEE CN(Cc1ccccc1)C(=O)CN1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C1 1853954680 TWDOBNRJQMQDCX-UHFFFAOYSA-N 404.470 1.430 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854696913 VRLGROPAKSLDLN-ZBFHGGJFSA-N 419.503 1.245 30 10 HDEE C[C@H](Cn1cnc2c1CCCC2)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855006335 KWDPCTVKUJLAQZ-QZTJIDSGSA-N 412.538 1.057 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](C3CCN(CCCC#N)CC3)CC2=O)C1 1855060976 SJDNYZOBKDELND-MSOLQXFVSA-N 404.511 1.856 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855312751 XJCYBRPTCLKCFD-SJLPKXTDSA-N 409.552 1.382 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1855775098 IMXMOVHICVEURA-AWEZNQCLSA-N 405.476 1.141 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1855775100 IMXMOVHICVEURA-CQSZACIVSA-N 405.476 1.141 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCCN(C4COC4)CC3)CCC2=O)cc1 1855843291 ZLKBPCWGNLOACN-FQEVSTJZSA-N 410.518 1.272 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1C 1855982009 OJCFYUATDLYENZ-QGZVFWFLSA-N 405.476 1.965 30 10 HDEE CCC[C@@H](F)C(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856097706 PNKZJQMDYWWIFT-RTBURBONSA-N 414.481 1.624 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)[C@H](F)CC2CCC2)C1)C1CN(c2nccnc2C#N)C1 1856235125 BLMXEFMDAJCBST-NVXWUHKLSA-N 414.485 1.372 30 10 HDEE C[C@@H](CC(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1cccn1 1856410945 TYAXOTROSZSOGC-JKSUJKDBSA-N 408.462 1.239 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856558912 PGDNQGGSTUTOHQ-ICSRJNTNSA-N 417.550 1.964 30 10 HDEE CC(=O)[C@H](C(=O)N(C)C)N1CC(=O)N(C(=O)c2ccc(C#N)cc2)c2ccccc21 1856703439 SLAPJUSJSFOBKU-HXUWFJFHSA-N 404.426 1.597 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1=O 1856728625 MCWQEQPQFZXDTD-OALUTQOASA-N 414.506 1.719 30 10 HDEE Cn1ccc(C(=O)N2CC[C@@H](N3CCC(COc4cccc(C#N)n4)CC3)C2=O)n1 1856971974 IOMGCTMLHOTPIB-GOSISDBHSA-N 408.462 1.219 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)[C@H](C)C1=O 1857206824 HJVGANXRSJXKME-HUUCEWRRSA-N 422.503 1.808 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3ccc(-n4cccn4)nn3)C1)CC2 1857229776 DIJRSFZBXIYTIN-CVEARBPZSA-N 405.462 1.277 30 10 HDEE COc1ccc(S(=O)(=O)CCNS(=O)(=O)c2ccccc2C#N)cc1OC 1858009426 XDJQHKDUFRWAKQ-UHFFFAOYSA-N 410.473 1.328 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCC[C@H](C(=O)OCC)C2)n1 1858762491 AOCTXWANJKPFKC-HNNXBMFYSA-N 417.462 1.945 30 10 HDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc1 1870152262 JICCQICSLBQZIW-UHFFFAOYSA-N 403.402 1.466 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccccn3)ncnc21 1875230528 DLAHKWKQDIOCEY-UHFFFAOYSA-N 421.505 1.375 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)CC2)c1 1892111833 BSJWAXQCPPJMQF-KRWDZBQOSA-N 421.526 1.989 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 1988256006 NMGPZZBAFVOHGS-AWEZNQCLSA-N 410.320 1.910 30 10 HDEE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 2042438744 LKNBCZFZEHLIGE-IBGZPJMESA-N 405.476 1.237 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2118172828 YPYNZAXZKHANDH-YMXBGEKHSA-N 406.530 1.232 30 10 HDEE CC1(C)OB(c2cnc(N3CC[C@@H](NS(C)(=O)=O)C3)c(Cl)c2)OC1(C)C 2172709561 MEQISGDCIYAIET-GFCCVEGCSA-N 401.725 1.162 30 10 HDEE COCC[C@H](CNS(=O)(=O)c1ccc(F)c(C#N)c1)NC(=O)OC(C)(C)C 2233899725 PDILMDLXZHVLPD-CYBMUJFWSA-N 401.460 1.905 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243403096 RQJFRUIUNXXGLZ-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243675603 YRLRCZVNKLYYOT-ZDUSSCGKSA-N 409.292 1.026 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247822207 COHUVHZBJLZLEL-UHFFFAOYSA-N 422.335 1.990 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2247916915 HDJQXRHIUNGTKN-KRWDZBQOSA-N 410.327 1.961 30 10 HDEE C[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC2(CN(C(=O)OC(C)(C)C)C2)O1 2250822163 HZVBNDVRPXZUDO-OAHLLOKOSA-N 420.315 1.858 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3c[nH]c(=N)s3)s2)OC1(C)C 2267367383 SKWMSSNLBLHUOG-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CN)C(F)(F)F)OC1(C)C 2267368756 NPLILDURZHGFKW-VIFPVBQESA-N 400.253 1.215 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NOCC(F)(F)F)OC1(C)C 2267708042 CHSUTUHNUKQJBV-UHFFFAOYSA-N 401.237 1.961 30 10 HDEE Cn1nc(C(=O)NCCSCCCO)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037111 REEPXSJVIQORCM-UHFFFAOYSA-N 403.741 1.218 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCCC[C@@H]2CO)OC1(C)C 2282336906 HUPGIZIEFQRSOC-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE C[C@@H]1OCCO[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337897 KGMBNZDJKPSJRE-AAEUAGOBSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@](C)(O)CC3)c2)OC1(C)C 2282340776 JRJFFEOBNZJYBP-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2CC(CN)C2)c1B1OC(C)(C)C(C)(C)O1 2282488021 ACYJVQNARSOZFJ-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCC[C@@H]2O)OC1(C)C 2282495818 ROYNDXJOSPWFKT-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@H](CF)C2)OC1(C)C 2282496313 YQTJBKRELASMFO-LBPRGKRZSA-N 404.338 1.954 30 10 HDEE CCN1CC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498386 COZYWGLWJLVTSP-CQSZACIVSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCSC[C@H]2CO)OC1(C)C 2282504251 MCCPOUPSLNHPNO-CYBMUJFWSA-N 419.399 1.287 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]2(C)CCC[C@H]2O)OC1(C)C 2282509123 GTDGWVSWKSGIBT-MLGOLLRUSA-N 402.347 1.165 30 10 HDEE CO[C@H]1CN[C@H](CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282640250 KZUSRTANBHEQOP-WDEREUQCSA-N 400.737 1.807 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]2(C)CCCNC2)OC1(C)C 2282831072 DVEQMDZPTFHPAY-INIZCTEOSA-N 401.363 1.004 30 10 HDEE CN(C[C@@H]1CCN1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282833052 UJYPMSCYTSOOKO-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)C1CNC1 2282836483 KQMRMADTBZCYMF-NSHDSACASA-N 400.375 1.584 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](CO)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839574 FZPWFHWFXRAOKU-QWHCGFSZSA-N 401.359 1.747 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@]2(C)CCO)sc1B1OC(C)(C)C(C)(C)O1 2282843350 LZEGKEMWTFPEAP-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE C[C@H]1CCC[C@@H](CN)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854745 VMOMDMKANNTSFQ-JSGCOSHPSA-N 400.375 1.938 30 10 HDEE C[C@H]1CCNCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871067 AXEZFWUDNXBHDE-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE CN([C@@H]1CCCCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282871257 DGYNWAWXBXGPGO-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H](ONS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284416543 ZHZVVMCVYYTAOH-VIFPVBQESA-N 405.665 1.322 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)O 2289597983 CMIBOLKCGMJOMZ-CYBMUJFWSA-N 403.501 1.748 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nc(O)c2[C@@H]1C=Cc1ccccc1 2293261915 ONYIBFDOIKZNMM-CVEARBPZSA-N 418.457 1.773 30 10 HDEE C#CC(CO)(CO)NC1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2346157981 IPTNIDXLCSAYHV-UHFFFAOYSA-N 404.463 1.015 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365198371 FPTQLILYFVGURD-CLCXKQKWSA-N 400.541 1.414 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)C[C@]12CCCOC2 2365245518 IDITYAUHBSRRQG-MOPGFXCFSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)CO2 2368953158 FIXDGQCMENBRLX-KSWSHJMHSA-N 402.513 1.584 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](CC)(C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2372721625 GKTLXSAETRYYPL-LBTNJELSSA-N 402.513 1.255 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1 2375783034 YDKFYQUELRRGHU-KSSFIOAISA-N 402.513 1.372 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(F)F)CC2)cc1 61770835 FIIATIHIOBQJTG-UHFFFAOYSA-N 402.467 1.908 30 10 HDEE COc1ccc(-c2nnc(N/N=C/c3cc(O)c(OC)cc3[N+](=O)[O-])[nH]c2=O)cc1 169899025 FRPFGCJSVUKKMU-DJKKODMXSA-N 412.362 1.909 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 404947325 SZFAVYUZCQCMTD-SNVBAGLBSA-N 403.693 1.942 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N 428075432 KCUKZDORICDSKG-QWRGUYRKSA-N 404.492 1.739 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 437611104 ZISDQMADXWQCDI-UHFFFAOYSA-N 408.886 1.953 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2F)CC1 444057021 GDQTYIXFNFPTTE-UHFFFAOYSA-N 409.405 1.453 30 10 HDEE COC(=O)CCOc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 462402807 PHBMGNPTEBPBAA-UHFFFAOYSA-N 404.444 1.857 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 492352489 BKYUQEILMYJTLJ-MRXNPFEDSA-N 416.547 1.208 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 508884409 HKDOQFCUKFONNY-FPOVZHCZSA-N 424.549 1.967 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516373773 NCZSSZJUYXRARH-UHFFFAOYSA-N 411.527 1.751 30 10 HDEE N#C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CC1 524571536 GXVAZHDIEVRCRB-FPOVZHCZSA-N 402.454 1.918 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)COCC(=O)NCc3cccnc3)CC2)cc1 527186510 KFLYJPIGMQHPAR-UHFFFAOYSA-N 408.458 1.656 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 535192532 OYJYJOOFXADKJV-IAGOWNOFSA-N 406.508 1.532 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)Nc2cc(C(=O)O)ccc2-n2cnnc2)c1 547939514 JEIGNDLSLDODFC-UHFFFAOYSA-N 401.379 1.918 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)CC1 550567890 DRAXRTUHFYRBED-UHFFFAOYSA-N 416.481 1.669 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 572306390 ZMRDFDWCDDDREU-UHFFFAOYSA-N 409.512 1.603 30 10 HDEE CN(c1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1)S(C)(=O)=O 586864272 PYRNDSIHBIIHKV-UHFFFAOYSA-N 418.450 1.026 30 10 HDEE C#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 731638436 IKXWXCCBADWQRQ-QXAKKESOSA-N 418.515 1.747 30 10 HDEE C#CCN(C(=O)c1cc(O)nc2ccc(Br)cc12)[C@H]1CCS(=O)(=O)C1 737810404 OGQNPTDIKBDBQH-LBPRGKRZSA-N 423.288 1.965 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)NC(=O)C1(C)C 745047187 VUVCCXHCSRURRG-ZDUSSCGKSA-N 416.434 1.204 30 10 HDEE CCOC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 746039862 YHUAFWHVAUFLTQ-AWEZNQCLSA-N 416.503 1.939 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 748738024 CCDYDRZYCMCBJU-HZSHHLKBSA-N 410.474 1.572 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3cccc(C#N)c3)cc2C1=O 750420028 VDOPGSLWHAQZKV-UHFFFAOYSA-N 409.423 1.600 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@@]1(C)CNC(=O)OC(C)(C)C 753028720 XGLNCUGCJWOOIB-IYBFAAEGSA-N 420.510 1.912 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN2C(=O)OCC[C@@H]2C1 764435992 FAVQWERVRPMKAY-MRXNPFEDSA-N 403.483 1.478 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCN1C1CC1 766551624 FFDGRXHGPWRDEZ-DOMZBBRYSA-N 405.861 1.966 30 10 HDEE C#C[C@H](C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 767259368 RWACTKKWHGPIEF-LBPRGKRZSA-N 415.309 1.564 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)cc1 770089903 CRTGUFDLPYLXBR-UHFFFAOYSA-N 420.248 1.623 30 10 HDEE Cn1ccnc1-c1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 772479174 CMHLXJHVGAWITE-UHFFFAOYSA-N 413.463 1.268 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772646462 AVCWBPQLIRXFPA-UHFFFAOYSA-N 415.475 1.241 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 777174185 ONHXHUNKBJHOCD-WMLDXEAASA-N 404.488 1.823 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)n1 788926907 SQJCWXWIKZVPMW-HXUWFJFHSA-N 409.490 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H]2CCOC2)CC1 802757856 FQNCNVHJVHHGSY-KRWDZBQOSA-N 411.506 1.754 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)cc1 804275749 UGXINMAXRVTVLE-PKOBYXMFSA-N 415.471 1.376 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2=O)n(C)n1 805588146 PODNKHRBIDMNOK-QAPCUYQASA-N 411.437 1.914 30 10 HDEE COc1ccccc1O[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 806780760 GBVYEQZZKWJZCL-CVTQAYBASA-N 414.462 1.774 30 10 HDEE COc1cccc(C(C)=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c1 1084299038 XVIGZGGYEOOFAL-UHFFFAOYSA-N 415.479 1.838 30 10 HDEE C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116189122 CASGNWPRWBXNBV-TUZFPQTJSA-N 404.492 1.653 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2ccc(I)c([N+](=O)[O-])c2)CCO1 1134494965 GBJVKQXTDIQSJF-ZDUSSCGKSA-N 401.160 1.954 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1c(F)cccc1F 1136024198 ASQIYCXHQKEJKC-UHFFFAOYSA-N 409.414 1.798 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1136764014 MWIOJPZOVLAUOS-INIZCTEOSA-N 413.540 1.177 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 1137345564 NYELOZRNHLJMOR-GOSISDBHSA-N 415.490 1.983 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CSC1 1146873273 FWEAVCHNCNTQAM-UHFFFAOYSA-N 410.517 1.094 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 1150593348 TYCVZWNWZZXLMJ-HNNXBMFYSA-N 401.529 1.176 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cn1 1152028889 DKTVYHHKWWLOPU-UHFFFAOYSA-N 417.466 1.305 30 10 HDEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1158492273 RYEYILAZPALLOP-FQEVSTJZSA-N 405.520 1.218 30 10 HDEE C=CCn1cc(C(=O)N2CCN(Cc3ccc(Br)cc3)C(=O)C2)nn1 1170775141 GQLMRLANXPDQHB-UHFFFAOYSA-N 404.268 1.711 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1175934676 YZQCHHFESKEDFJ-SFHVURJKSA-N 403.523 1.786 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccccc3)C2)nc1 1178460852 UGRRDLMGVIRWCH-KRWDZBQOSA-N 413.503 1.725 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)C2)c(=O)nc1O 1181000914 SXSNXUZLGVYKJL-UHFFFAOYSA-N 416.384 1.230 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1)C(=O)OC 1189692303 IUVVKRDFSWXZTB-INIZCTEOSA-N 414.455 1.084 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)cc1 1190447337 TYUDSMHOWQTTNG-UHFFFAOYSA-N 412.464 1.688 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCCCN3CCC[C@H]3C(N)=O)CC2)c1 1230534131 BNVSLYSJOKFMHU-FQEVSTJZSA-N 412.538 1.162 30 10 HDEE C#C[C@H](NC(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1231331238 IJANBCYLIJTFCY-SFHVURJKSA-N 408.543 1.609 30 10 HDEE Cn1nc2c(c1C(=O)N[C@@H](C#N)c1cccc(Br)c1)CS(=O)(=O)CC2 1266809033 JLFRNCNIMRWGPR-AWEZNQCLSA-N 423.292 1.648 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(C)c(C)c1 1278478244 QIQAXVIJONHLSQ-UHFFFAOYSA-N 408.520 1.727 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1286348678 NHWRZCUECQSEDI-UONOGXRCSA-N 401.471 1.760 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286356094 KNXGPCDVJCQFNE-IBGZPJMESA-N 408.510 1.865 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286371735 CFAQGSARCLQJLF-UXHICEINSA-N 422.533 1.681 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCN(CC)CC1 1286376188 HGVQKZXOCYBEOA-GHTZIAJQSA-N 424.549 1.886 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286389517 LIDLHWOBGPIHGV-ZWKOTPCHSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)(F)F)n1 1286398347 JEIVWITWNBCMOY-UHFFFAOYSA-N 404.396 1.951 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286451811 BVQRWAICKUMXSQ-RYLXDESZSA-N 404.511 1.800 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286459815 QQUUYNIAEQNNSU-RBUKOAKNSA-N 400.479 1.580 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1286710585 AQDQEJDXXKFPTG-INIZCTEOSA-N 410.540 1.532 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286711622 NNVTXUUXIDSNOP-IRXDYDNUSA-N 403.527 1.870 30 10 HDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1286713464 YGUQFHYCOOPGNA-UHFFFAOYSA-N 404.540 1.985 30 10 HDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1286733130 RDTCYWFOOXETQW-KRWDZBQOSA-N 405.462 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(F)cc(F)c2C1 1286787689 YDRLLEYVKKJVFA-UHFFFAOYSA-N 413.432 1.822 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286794125 XLJLQISZEIFXNA-LAUBAEHRSA-N 421.542 1.482 30 10 HDEE CN(C)CCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 1291626885 JRBQACVZXVYZFH-PYCFMQQDSA-N 418.523 1.510 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1296567956 CQQFOXJEIARGJO-ZLGUVYLKSA-N 419.526 1.600 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1300409320 HNCQJAYSBMQUGV-CYBMUJFWSA-N 423.461 1.413 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1300631489 RDGFBFRIKFHRQT-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C=C(C)COCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1301001576 MIAOWYQEHCHQBK-LEWJYISDSA-N 421.542 1.485 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1301371927 DBLHHKVJJLQRQD-QGTPRVQTSA-N 410.478 1.335 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301458899 IXQLEAJXNAOEOM-RBUKOAKNSA-N 416.570 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)S[C@H](C)C1 1301497504 YAOQEZVSNWMKHF-CHWSQXEVSA-N 418.523 1.638 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C)C1 1301596381 NAMSVTLQYBIMSI-ULQDDVLXSA-N 412.556 1.839 30 10 HDEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1302344945 IAJMMCUFKBCAIZ-LBPRGKRZSA-N 400.405 1.718 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1304219801 XWABVGJSXQADGD-HGYYMRRCSA-N 419.503 1.208 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3C[C@H]3CC=CCO3)CC2)c1C#N 1304730538 HMDKSFBKSAPFLI-QGZVFWFLSA-N 410.526 1.987 30 10 HDEE COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308100791 SUCDJOBLGBFVGU-PEYYIBSZSA-N 402.394 1.790 30 10 HDEE N#CC1(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CCOCC1 1309944912 BQVJOYIOEBHPHJ-UHFFFAOYSA-N 405.398 1.577 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)cc1 1310131571 PKYXQPUDHZUGEZ-DOTOQJQBSA-N 413.540 1.773 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1312790806 ZGEOLDACYUHWFO-UHFFFAOYSA-N 418.972 1.373 30 10 HDEE CCn1nc(C)c(CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)n1 1312901013 BTCVBUHBAOSYJD-UHFFFAOYSA-N 421.509 1.986 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1313096898 HEYPJOFUNJPSSY-MRXNPFEDSA-N 409.508 1.140 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1313112014 CZZVQNMFLKGXEZ-BZUAXINKSA-N 413.540 1.606 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(C(=O)N1CC[C@@](O)(CC#N)C1)C2 1313224476 WBFJXTQHCMNJLD-IBGZPJMESA-N 421.523 1.996 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1314818924 KSIWIBGGJUEWEO-UHFFFAOYSA-N 422.493 1.944 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 1351055793 PHXUEEUUXIKKKH-IBGZPJMESA-N 422.551 1.422 30 10 HDEE N#CCCCCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1354821174 LGHIBCFDHGVGTP-UHFFFAOYSA-N 407.492 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1noc(CC)n1 1358896574 HOYGULQRYLLBHA-CYBMUJFWSA-N 413.507 1.916 30 10 HDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1358908734 HTXODUPFUKMGFM-HNNXBMFYSA-N 410.453 1.035 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)COC 1358946008 DPPIOPASKMKZSJ-UHFFFAOYSA-N 404.540 1.980 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1358948582 FVNBVKPWJVYACF-HNNXBMFYSA-N 417.491 1.476 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1358962076 JUGDHNGVCZBLED-KZNAEPCWSA-N 424.567 1.470 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1358966467 PLWJYEYRXKWAFX-MRXNPFEDSA-N 421.567 1.463 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1359189437 KZMMFUGMANSCCY-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)N(C)C)CCOC1 1360335816 JQTLFBCDSKHCBI-HXUWFJFHSA-N 404.515 1.537 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)c1 1448100891 BWTHOIPMOOHAHL-CYBMUJFWSA-N 412.471 1.974 30 10 HDEE CS(=O)(=O)c1cccc(OCCn2cc(C#N)c(I)n2)c1 1459141022 JGOXHGBGTUYPLP-UHFFFAOYSA-N 417.228 1.842 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 1464355009 JQHDSKLZJZECMV-UHFFFAOYSA-N 403.254 1.896 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1nc2ccccc2n1CC)c1cc[nH]n1 1464813900 UBMHGIWSAZAIME-UHFFFAOYSA-N 412.450 1.422 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1465587912 MMPBGHXJBXEXMJ-ZIAGYGMSSA-N 414.384 1.672 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1=O 1467531424 GBRPEDAIXLLSQJ-LJQANCHMSA-N 420.941 1.943 30 10 HDEE Cc1ccc(C(=O)Nc2cnn(C3CCOCC3)c2C)cc1S(=O)(=O)NCC#N 1468397380 FWKWSUDYXOEKBJ-UHFFFAOYSA-N 417.491 1.906 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)O1 1469591188 RTRSYEJMMFYVCS-IKGGRYGDSA-N 400.483 1.175 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2cc3n(n2)CCCC3)cc1S(=O)(=O)NCC#N 1469621423 FKDJBKSTAGHQSZ-CQSZACIVSA-N 401.492 1.821 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 1469762683 PPJJDCPXXCGMFA-QGZVFWFLSA-N 419.441 1.998 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3ccccc3F)C2)nc1 1471984143 PSKIVDJCHMCLPT-OAHLLOKOSA-N 417.466 1.474 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 1475467555 NVWQTQWWULOXGS-UHFFFAOYSA-N 421.924 1.709 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1475591022 MJBSWCMUWIOTBL-UHFFFAOYSA-N 402.563 1.255 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1476029489 HQNTZQKAHTVQFR-YJBOKZPZSA-N 408.524 1.335 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(C)c(C)c3)CCC2)CC1 1478556736 SBGLFXKJBPYXJO-UHFFFAOYSA-N 418.563 1.520 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1479059854 HGKHKFIBSDDNMB-MSOLQXFVSA-N 405.520 1.591 30 10 HDEE CN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503485085 PXPXYBXSGMMREH-JLUOLNIDSA-N 422.489 1.945 30 10 HDEE Cn1cnc(Cn2c(N3CCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)n1 1503671371 FSLYCIFMINKKKO-UHFFFAOYSA-N 405.510 1.951 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCC#C)CC1 1507597062 SODRXMCKBQWHAT-OALUTQOASA-N 413.522 1.381 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1507633118 CMVJOCAGIASTHJ-MRXNPFEDSA-N 423.583 1.266 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507750572 ZHOMCUPCUWZTNA-HNNXBMFYSA-N 413.507 1.112 30 10 HDEE C=CCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508066096 CHELFOZKBCTTBS-NRFANRHFSA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cccs1 1508095762 SXYNZMACZFOBSI-AWEZNQCLSA-N 402.524 1.962 30 10 HDEE C[C@@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1512223184 HPZPGLYPHFKLPE-QGZVFWFLSA-N 407.522 1.875 30 10 HDEE Cc1nn(-c2cccnc2)nc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1515390882 DDIRLDCFXPQCEG-GOSISDBHSA-N 401.430 1.768 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2COCCO2)cc1 1518201706 AQNKPRXXCIPRMC-NQIIRXRSSA-N 415.469 1.929 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1523938108 WSDRDBVBOFVFKU-COXVUDFISA-N 406.446 1.700 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 1535416931 ANQYBBIHMZCCIO-HZPDHXFCSA-N 421.519 1.882 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539141199 DNVFFJHUMUXRPO-BMFAXAFESA-N 401.511 1.473 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1539206999 YPRSWXXXVWBYBK-KRWDZBQOSA-N 423.583 1.103 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1539215950 LTFUQGIEYDYXSI-PKOBYXMFSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1539220391 RPDUMEUGKNYFSW-INIZCTEOSA-N 418.519 1.533 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1539344730 IKMDYMKZYRFARV-MRXNPFEDSA-N 407.515 1.940 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1539774577 CTTSKQBOKMSTQV-DZGCQCFKSA-N 417.963 1.894 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1540049536 NKYOMPAGLOIKCR-HXUWFJFHSA-N 403.483 1.850 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnc2n1CCCCC2 1540198871 RLHWFXFMBCTPNN-OAHLLOKOSA-N 414.514 1.234 30 10 HDEE CCn1nc(C2CC2)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728409 GDPJGDUPROCIAI-UHFFFAOYSA-N 413.503 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]2CCC[C@@H]21 1540907211 ORHZUMJDOMIUTQ-IRXDYDNUSA-N 421.567 1.770 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)cc1C 1542430687 CUSFQSYAHDKDJS-IBGZPJMESA-N 423.521 1.972 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1ccnn1 1546528845 FLJKNMJBAWAMRY-UHFFFAOYSA-N 409.473 1.860 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@H](CO)C2)n(C)n1 1548402916 ZWZPGPSRTPNOTG-HNNXBMFYSA-N 407.396 1.942 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1556979678 HVXKQMXRJRDYNH-HOTGVXAUSA-N 410.511 1.825 30 10 HDEE C[C@H](CC(=O)N1CCO[C@H](C(F)F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1557887011 XVMTVMJAQICONL-YPMHNXCESA-N 401.435 1.386 30 10 HDEE CNC(=O)CN1CCCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1558459863 GFPKEDSZYREEHQ-UHFFFAOYSA-N 415.343 1.188 30 10 HDEE N#Cc1ccc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 1559423131 GHINYFKHGROGKZ-UHFFFAOYSA-N 400.460 1.533 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](Cn2ccnn2)C1 1560012934 DOYVDVWPPWPPKB-HZPDHXFCSA-N 400.508 1.869 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1)C(=O)OC 1561830002 YHTPMNIIEPVXGK-OAHLLOKOSA-N 404.510 1.161 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1564847521 NXTCTNGSWWMOON-INIZCTEOSA-N 416.526 1.528 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1564973604 WQELGJLPWUIWIY-FQEVSTJZSA-N 416.522 1.990 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nscc1I 1565630132 SLFJLWUDPBLFAK-BENRWUELSA-N 418.216 1.004 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3ccc(Cl)c(Cl)c3)c2S1(=O)=O 1565631620 RYYRQXCBUMVVFE-CYBMUJFWSA-N 414.274 1.819 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](CO)Cc2ccc(F)cc2)c1 1566385318 SITRTOUCJHNCIL-AWEZNQCLSA-N 408.426 1.843 30 10 HDEE CNC(=O)c1ccccc1N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1584257872 XNOPOLWWRWZKEU-KRWDZBQOSA-N 419.441 1.786 30 10 HDEE N#CCOc1cccc(CC(=O)N2CCn3ncc(I)c32)c1 1587391024 IDARTDFJCWWXJT-UHFFFAOYSA-N 408.199 1.979 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)c(F)c1 1587553750 RPAHCMZUWRATDP-WOJBJXKFSA-N 423.492 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1588079024 PZNBIVLONHAGCX-BSRJHKFKSA-N 418.501 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1588162750 ZTLMWTYGENRDDR-IBGZPJMESA-N 416.485 1.716 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC=C)CC1 1588876473 AVJMLAOWKMXYKT-CALCHBBNSA-N 400.527 1.990 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1589116761 MSQPMHCBCXKUTD-UHFFFAOYSA-N 403.483 1.689 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1589163106 IBMYDNBODSYJMR-YHBROIRLSA-N 418.538 1.974 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@@H]1CC 1589567888 GOVFVYSASWXMGM-GJYPPUQNSA-N 416.526 1.097 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594812207 DBYQVQPOILPBEG-VSZNYVQBSA-N 424.567 1.634 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1595418639 SKEOIVZEZKMIGH-KRWDZBQOSA-N 402.524 1.454 30 10 HDEE Cc1c(C#N)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nn1C 1611161492 BCBJCQZASTWPSZ-CYBMUJFWSA-N 405.455 1.779 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@@H]2C(C)C)CCOC1 1616261204 HCFUONOUEFDMCI-XKGFGPFHSA-N 419.526 1.720 30 10 HDEE Cc1cn(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc1C(F)(F)F 1618731891 PGODNCMAUXJDAD-HNNXBMFYSA-N 405.380 1.999 30 10 HDEE N#Cc1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 1618793996 WGTNWOMRWVBDIN-UHFFFAOYSA-N 414.487 1.223 30 10 HDEE COCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619823423 CEPQLEHTPULUEO-KRWDZBQOSA-N 401.515 1.004 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1620348085 LBBFLDIEGXIFGI-UGSOOPFHSA-N 417.470 1.361 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccccc2F)CCO1 1620355039 GDBVASSOIWMPCY-OAHLLOKOSA-N 421.436 1.638 30 10 HDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCOCC1 1620587022 PKHYGYFXOWQYOF-UHFFFAOYSA-N 413.478 1.441 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OC 1622226283 MSUOECWJRXTETL-NSHDSACASA-N 404.238 1.079 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1622328436 YLPQTGPDQVFJTJ-KUHUBIRLSA-N 406.487 1.899 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2 1623721384 IZKFWNCUDXNLHF-UHFFFAOYSA-N 409.508 1.705 30 10 HDEE CCOC(=O)C[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625387392 LVOZZXRZOAGJPT-LTWWHTJUSA-N 409.483 1.204 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C#N)CC[C@@H]32)CC1 1626483943 BKOPIFQZAYWEIB-SIXLDLHFSA-N 417.510 1.540 30 10 HDEE COC(=O)CN(CC(=O)OC)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1626764272 VCLSSKHKIWQSHL-UHFFFAOYSA-N 405.256 1.082 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1627747398 WESBKZQVYPTWKG-SJLPKXTDSA-N 406.504 1.588 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1628628898 WCSJNMMTVRGGKN-CVEARBPZSA-N 404.467 1.466 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC 1629007452 IZJLBAIHGAULLN-CYBMUJFWSA-N 411.480 1.588 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](c1nccn1C)C(C)(C)CO 1631193644 ATQLNBKYXWSATN-SFHVURJKSA-N 409.494 1.760 30 10 HDEE C#CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1632035630 WYJSWBGMQLNHDC-ROUUACIJSA-N 406.891 1.860 30 10 HDEE C=CCSCCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1634183517 ATAVFLSXPOQNLX-AWEZNQCLSA-N 413.540 1.957 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCN(O)C2=O)cc1 1637459099 LYKDZALGANKFHF-INIZCTEOSA-N 405.432 1.216 30 10 HDEE Cc1[nH]nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1Br 1639050140 QRQNZMHLTYHUND-UHFFFAOYSA-N 407.224 1.998 30 10 HDEE NC(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1639123249 XISTZJHKRBPCBF-ZWKOTPCHSA-N 401.463 1.236 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)[C@H](CO)C1 1640283235 BMQFFHYZBNKVNZ-FUHWJXTLSA-N 416.478 1.279 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1643512559 HDEDIRMSMXYJFL-UHFFFAOYSA-N 405.303 1.649 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1 1643519877 JKYODZCVNNNWCF-HQJQHLMTSA-N 402.266 1.992 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@H](O)C2(O)CCOCC2)CC1 1645178533 POAQSKCEVGUKGP-ROUUACIJSA-N 424.339 1.534 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nc3ncc(Br)cn3n2)n1 1645479778 CQTQWPDBOPSUPH-UHFFFAOYSA-N 404.272 1.365 30 10 HDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccccc1 1648029035 WECOCZRUOAHWAZ-UHFFFAOYSA-N 404.430 1.656 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)C1 1648718990 AGFBZYXNAAUXCV-PGRDOPGGSA-N 408.458 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1649539478 NVYHMTAVVMRNEU-DJPFJPOOSA-N 403.527 1.647 30 10 HDEE CN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C[C@@H](O)c1cccc(C#N)c1 1654149064 UGLJRJQEVGJOJD-OAQYLSRUSA-N 406.486 1.732 30 10 HDEE C#CC1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1654837546 GVGRDLWBMMAKLH-MRXNPFEDSA-N 405.520 1.380 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 1655764804 ODUUWTOXCAHEHC-AVRDEDQJSA-N 419.522 1.844 30 10 HDEE COC(=O)CNC(=O)[C@H](C)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1655766624 GBVRGKCEIGKPGY-BIIVOSGPSA-N 412.277 1.767 30 10 HDEE N#Cc1cccc(NC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1655891699 XSJFSVDVZLMTHV-CZUORRHYSA-N 401.410 1.938 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)Cn2cc(C#N)c3ccccc3c2=O)ccc1C 1656745067 GKXYCUSGDQDJLQ-UHFFFAOYSA-N 410.455 1.728 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CCCCC1 1664417766 JSDUNGOFCUPDGV-IBGZPJMESA-N 419.503 1.754 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CCO2)cc1 1670984457 NOBQYHLGQMHXPQ-HBFSDRIKSA-N 419.503 1.377 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC2CCC2)c2ccccc2)CC1 1671119463 QFIUFFVURYFQBA-LJQANCHMSA-N 404.536 1.713 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)CC1 1680216419 LMVSYIPEUGGMDW-UHFFFAOYSA-N 420.517 1.892 30 10 HDEE N#C[C@]12CN(C(=O)NCCN3CCC4(CCCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1681993714 NMFUFYQNKADEJE-FXAWDEMLSA-N 408.568 1.612 30 10 HDEE N#CCNC(=O)CNC(=O)NCc1cc(Cl)cc(I)c1 1682374736 ZPPNZWJNDANBPZ-UHFFFAOYSA-N 406.611 1.384 30 10 HDEE C#CCN(C)CCCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1682790023 MMIVAKPTQRYQNV-UHFFFAOYSA-N 411.485 1.652 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)[C@H]2C1 1682948146 UDOXPWIDXCGAIH-FVQHAEBGSA-N 412.494 1.650 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1685052443 YHIATLJQNGZJSV-IAGOWNOFSA-N 409.527 1.866 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1687593118 IRCRICAVRUBUDJ-GOSISDBHSA-N 407.559 1.278 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCO[C@@H]3CCOC3)c(C#N)c2N)cc1 1687698327 QOWPDKOTUQYJOB-QGZVFWFLSA-N 412.494 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1689829330 XJALMGWKZVETJR-CDXJDZJCSA-N 416.547 1.828 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1689886936 KTMKIHXBYWRGLL-SFHVURJKSA-N 416.570 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1690026808 MCNCXPZKJFUYNC-UHFFFAOYSA-N 421.501 1.487 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](CC)OC)CC1 1690117652 QHJQYGPKKIJFEL-IBGZPJMESA-N 421.509 1.101 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690297744 FHUPULVNZCKKMW-OXJNMPFZSA-N 404.515 1.451 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690672272 NDDJBAPQDOUDNW-MRXNPFEDSA-N 401.515 1.271 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@]2(CCSC2)C1 1690729057 FSSHWEUDMNWBBK-KRWDZBQOSA-N 400.570 1.749 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCCO 1692538430 JQEQLLKPJLFOSZ-KRWDZBQOSA-N 403.531 1.146 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ncn(C)n2)CCOC1 1692580461 MMDAFHBIHILYIS-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1692695260 HCJPBKGZYNHZGD-IFXJQAMLSA-N 420.514 1.741 30 10 HDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1693662826 BHQXNIAPSWNZBK-QBPKDAKJSA-N 401.515 1.078 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1694782640 WATIIHIMRIXMCE-MSOLQXFVSA-N 410.478 1.337 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C 1705590849 YBNFSASVKGXZHE-DENIHFKCSA-N 415.538 1.114 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1705612902 SADPFYKCTFNASI-PWECECGKSA-N 400.570 1.187 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2CCOCC2)CC1 1705648888 BSAHOORWNAWTHK-UHFFFAOYSA-N 408.506 1.733 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705652889 QSWVTLAXWAJXLF-FQEVSTJZSA-N 420.583 1.084 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705825476 UWPUXMIDCNCUOH-CVEARBPZSA-N 404.515 1.857 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1705839537 DTDLNTFPYQHCLK-UHFFFAOYSA-N 416.507 1.983 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)C1 1705922323 KRRBIVATCPGCEF-DLBZAZTESA-N 416.526 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)c2ccsc2)CC1 1705935538 VHRIVCVNWOUEDN-UHFFFAOYSA-N 423.564 1.465 30 10 HDEE CC(C)NC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1706635594 RTWPPSDBCMJADQ-CQSZACIVSA-N 418.448 1.791 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1711284378 GFWMUZOYMNJONN-UHFFFAOYSA-N 410.526 1.767 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C[C@H](O)COCC(C)C)CC1 1716808221 NVDLEEVQJIROGM-NALHQMNBSA-N 404.551 1.370 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1722403145 MNPANMXUAFQYKN-UHFFFAOYSA-N 404.584 1.801 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nnn(C)n1 1722425908 QFPOFICKOUCKQP-UHFFFAOYSA-N 405.466 1.008 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cccs2)CC1 1722439139 QHSJFZPJBLNPGR-QFIPXVFZSA-N 422.558 1.988 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCSC2)CC1 1722559481 YVHMIRLXHWDHCR-IBGZPJMESA-N 400.508 1.950 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCS(=O)CC1 1722688526 FAMKHHKNXDOFFH-AWEZNQCLSA-N 421.498 1.428 30 10 HDEE CC(C)c1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1Cc1ccc(C#N)o1 1723184890 LYUTUYYQVOIREY-OAHLLOKOSA-N 411.510 1.704 30 10 HDEE C[C@@](O)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1723967751 ALWJOFOEGHIBKC-DNVCBOLYSA-N 407.540 1.471 30 10 HDEE C[C@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1726494195 AGYMTJODARBREF-LSDHHAIUSA-N 402.524 1.991 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCCN2CCOCC2)CCO1 1731187453 QBZZYOCDWNBNJX-OAQYLSRUSA-N 424.549 1.904 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCNS(C)(=O)=O 1740557496 LCCVLHKMIOGVNG-QGZVFWFLSA-N 419.551 1.871 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1740559721 UFPYQDQQMVISCL-CQSZACIVSA-N 411.441 1.607 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1740574329 HENUFQIFTDTWPR-UHFFFAOYSA-N 416.551 1.908 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1740606851 USOQBJTZNZHIFX-SFHVURJKSA-N 409.494 1.723 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1740625271 MYPKKBQMPUZMRB-GOSISDBHSA-N 402.520 1.662 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)s2)CC1 1740698983 RQZMUFYFJRJMSP-UHFFFAOYSA-N 418.954 1.919 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740717657 XXSWOEJASDHRJT-UHFFFAOYSA-N 406.600 1.443 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740845678 XZJKWKFSGNNJCU-OAHLLOKOSA-N 412.494 1.596 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1740890307 XPZKVUIKVLNTOR-UHFFFAOYSA-N 411.510 1.416 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cncn1 1740935764 WHPAEFLPCBDOLO-SFHVURJKSA-N 406.494 1.756 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740962971 VHEGYXGCKPRORA-SFHVURJKSA-N 402.543 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](F)C1 1740995163 CBGCABIHCFJEGS-UGUYLWEFSA-N 416.519 1.397 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1746973707 LLUGVCLYSFWGRP-SFHVURJKSA-N 407.482 1.899 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1747546401 GWWPZQCKFIFOAO-UHFFFAOYSA-N 409.494 1.274 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ncccc1N(C)C 1748779301 FFSKNLLOBKCLFH-UHFFFAOYSA-N 414.477 1.500 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1748892668 USHSJVXNROYVHU-OAHLLOKOSA-N 420.926 1.193 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1749226172 NZSVNNCHIVVGNS-SFHVURJKSA-N 413.526 1.939 30 10 HDEE CC(C)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1750906083 ZKDLFTVIKMTJKA-FMQUCBEESA-N 413.526 1.287 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1751295982 LWPDDPNTPGZHJY-AEFFLSMTSA-N 424.505 1.855 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1760165018 HAPLWXDDLBHTKB-OAQYLSRUSA-N 414.462 1.807 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760178598 TWWIHISXCRCGAK-MRCUWXFGSA-N 420.473 1.761 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1760185776 DGQTXVUGIVFFTM-INIZCTEOSA-N 421.523 1.286 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1760193920 AAGAKZNZWUGMDS-INIZCTEOSA-N 415.519 1.326 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC(=O)N1CCOCC1 1760207652 RJYMRJDBRKHBKB-UHFFFAOYSA-N 407.474 1.097 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnccc1OC 1760211505 IWRUNPQMWZCAMN-QFIPXVFZSA-N 409.490 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760222182 ZISNDQTVAGSEBD-FQEVSTJZSA-N 410.566 1.636 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1760281444 SHBXSVYYZGPZBC-HOTGVXAUSA-N 418.567 1.337 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760446649 YKXRSFMNAZHLLP-UHFFFAOYSA-N 423.539 1.957 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1760462303 XEBDKBJMTWOQQM-OAHLLOKOSA-N 402.499 1.475 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cc[nH]n1)C1CC1 1760469997 KBADCEPDJADLEV-UHFFFAOYSA-N 421.465 1.233 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@@H]2C)CCOC1 1761291535 LSSSODNZKIGAPB-BBTUJRGHSA-N 418.542 1.532 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)N(C)C)cc1 1762603772 CMTXBIUXCYBDNJ-QGZVFWFLSA-N 418.523 1.128 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)C1 1762922968 HVVQWLVRCYINCP-JTDSTZFVSA-N 424.546 1.354 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CC#N 1766701388 GWFZSOYNIDTIQH-HOTGVXAUSA-N 412.560 1.930 30 10 HDEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768131010 BOUKCQQBRRLGPC-ROUUACIJSA-N 410.478 1.517 30 10 HDEE COCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769732441 IQOCGYFSMQQAMP-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1 1769844781 DJBIKRHYPHYIEA-HUUCEWRRSA-N 413.569 1.300 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)C1 1771529535 PIENAMVCNLUZNC-YLJYHZDGSA-N 417.441 1.632 30 10 HDEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1771543693 DKSSNAKIWOKDLM-UHFFFAOYSA-N 423.521 1.676 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CC(=O)NC1(C)C 1849747751 KSMZIEFWHPJNMZ-OALUTQOASA-N 416.518 1.953 30 10 HDEE O=C(NCC#CCN1CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1 1850125595 YRXZSETWPWSUHR-UHFFFAOYSA-N 409.577 1.754 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c1 1850338005 WUBBGTVGDJSVRI-MRXNPFEDSA-N 406.490 1.934 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N([C@@H]2CCc3ccccc32)C1 1850493871 NSBCLTXCQYLMHY-RHSMWYFYSA-N 409.467 1.788 30 10 HDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)nc1 1851909375 HHYIEYSSBRAVKY-UHFFFAOYSA-N 418.450 1.256 30 10 HDEE COc1cccc(CN2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852467190 LYAHLMRZTKTEHE-HKUYNNGSSA-N 422.441 1.674 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2ccc(C)n2C)CC1 1853606729 VRFAENJAUVTHTH-UHFFFAOYSA-N 423.583 1.287 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)s1 1853607359 BUUDZPBZZKVFDY-UONOGXRCSA-N 402.520 1.826 30 10 HDEE CN(CC(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)CC1=O)C(=O)OC(C)(C)C 1853861028 MQZMDXSNOPGLCG-UHFFFAOYSA-N 414.462 1.279 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)C1=O 1854219570 NKIFTXVOEISYKW-ZWKOTPCHSA-N 408.458 1.801 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854401684 RWTVGIBTVKLUBS-IBGZPJMESA-N 412.490 1.931 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc32)C(=O)C12CCCCC2 1854404309 MJSMBUFJHIREFT-MRXNPFEDSA-N 417.487 1.390 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c(C)c1 1855647371 SIBXUGKOMPJLHP-KRWDZBQOSA-N 403.504 1.993 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@H]3Cc4ccccc43)C2)C1 1856379278 SGANTULBROTTCG-BEFAXECRSA-N 402.454 1.731 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(C)Cc3nc4ccccc4n3C)C2=O)CC1=O 1856647532 OCHLEVBWDSKGOX-CRAIPNDOSA-N 409.490 1.167 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCN3CCCCC3)C3(CCCC3)C2=O)CC1=O 1856866781 PSTRMZQBKZUPKO-IBGZPJMESA-N 416.566 1.490 30 10 HDEE Cc1oncc1C(=O)N1CC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857033103 OUFJMNGIMNAIEL-GOSISDBHSA-N 409.446 1.782 30 10 HDEE CCc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857039944 APTPPXUKHZMUSM-GOSISDBHSA-N 403.504 1.803 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2=O)C1 1857137692 SQFXHSPMIPOMHX-LJQANCHMSA-N 401.426 1.939 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857282245 UPLLENBHYNBKRJ-AZUAARDMSA-N 413.518 1.722 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1857489868 JVQKARJRMZBGPX-IEBWSBKVSA-N 419.547 1.723 30 10 HDEE O=C(/C=C/c1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860636518 GMYZGKALQCRMSN-FNORWQNLSA-N 411.374 1.829 30 10 HDEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccn(CC(C)C)c1=O 1861287247 RAJBASWNGMQWFG-GOSISDBHSA-N 420.554 1.955 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)NC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1923787426 BMLYBLDIXKOQGK-IBGZPJMESA-N 414.487 1.868 30 10 HDEE CCCCCCCCN1C(=O)C(=CN[C@@H]2CCS(=O)(=O)C2)C(=O)NC1=S 2040475867 RGORHSJZXKKFEB-CYBMUJFWSA-N 401.554 1.251 30 10 HDEE N#CC1CN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2054406611 XJJSJXHDFXCGJI-KBAYOESNSA-N 404.492 1.466 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2065516725 ALFXWQQIYGXIOK-NSHDSACASA-N 414.304 1.543 30 10 HDEE C#CCN(C[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2169177302 UKMABUONKRBKPL-ZACQAIPSSA-N 400.541 1.117 30 10 HDEE C#CCN(Cc1cc(N)cc(I)c1)[C@H]1CCS(=O)(=O)C1 2169183816 UHXZYDQZBZEMCR-AWEZNQCLSA-N 404.273 1.496 30 10 HDEE COCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC(C#N)CC2)C1 2174779819 NJFOZEWIVCLOSI-UHFFFAOYSA-N 402.517 1.129 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2174787380 SWKDHDKONVPDFZ-CRAIPNDOSA-N 401.529 1.824 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCC23CC(C#N)(CO2)C3)C1 2181148860 XIJJKCMBGLDMPU-XALWFJFJSA-N 413.474 1.992 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 2187581710 CLJRDYNVIFGVTB-OLZOCXBDSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195307356 SSPXXZKJSRAJJR-CHWSQXEVSA-N 404.529 1.832 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1 2197778290 PWNNDHMNDZMRBX-NSHDSACASA-N 413.418 1.325 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCS(=O)(=O)CC1 2199807730 WTYYUKQNVWNUKQ-AWEZNQCLSA-N 404.529 1.149 30 10 HDEE C=CCN(CCC(=O)NCC1(CO)CCS(=O)(=O)CC1)C(=O)OC(C)(C)C 2199822734 LQWLASFWQHOKRB-UHFFFAOYSA-N 404.529 1.103 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2243437036 QVQVJPWVPSHFCH-GJZGRUSLSA-N 408.304 1.355 30 10 HDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247824493 YADCECWIAUREEG-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2247838211 FAJMPOLIGYXDOP-UHFFFAOYSA-N 421.278 1.869 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(OCc2ccccc2)C1 2247858017 KLSJZQFRJMJALD-UHFFFAOYSA-N 412.299 1.592 30 10 HDEE C[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709886 JSHJNAQNYFAUJW-KOLCDFICSA-N 406.766 1.587 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270541259 XWPLCOFAFPZROP-VMWRSERWSA-N 422.503 1.566 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H]3[C@H](O)CO)sc2Cl)OC1(C)C 2281964888 DVDSHAWUYHUPGX-NWDGAFQWSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@@H](CO)C3)cc2Cl)OC1(C)C 2282305862 FGNNXULMXYBMFH-SNVBAGLBSA-N 423.749 1.083 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H](N)C1 2282320077 CMSMTQJOIRKGBW-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)CC2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282327017 BNDVSZAYINRNLD-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE Cn1ncc(Cl)c1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331723 RCBSHWSGCOVVRE-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@@H]1C[C@H](O)[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282348475 LTKPCIDJXVMCDI-UPJWGTAASA-N 401.359 1.827 30 10 HDEE CCN([C@@H]1CCN(C)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282415678 KVEATKBSBLRKOJ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCCC[C@@H]2CO)OC1(C)C 2282494783 CITBUOIVGLNTSK-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CON1CC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282498868 KOOKVNDUXAXLIK-ZDUSSCGKSA-N 402.347 1.102 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@](C)(CO)C2)OC1(C)C 2282499411 CQOMDIPPXJQJLW-QGZVFWFLSA-N 401.359 1.581 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2(CN)CCCCC2)OC1(C)C 2282504626 RMXOADZQTOXQTI-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(CN)CCCC2)OC1(C)C 2282506938 ZOTYFXPUNBZZMZ-UHFFFAOYSA-N 400.375 1.738 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1(F)F 2282509160 HFFLQDINXGMKRA-SNVBAGLBSA-N 408.301 1.859 30 10 HDEE C[C@@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282520568 RLNGSDMWRFHAKF-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC1(C)C 2282833426 XHGCPOLUMBQFFS-ZDUSSCGKSA-N 400.375 1.775 30 10 HDEE COC(OC)[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282836137 GJPIWBZOFVFODW-NSHDSACASA-N 405.347 1.641 30 10 HDEE CN(C)CC#CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282836666 NIVFKVCZQJKVCU-UHFFFAOYSA-N 418.777 1.544 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@](=O)C[C@H]1C 2282840246 FCUYWIFRTLCMPM-NDHGSNPTSA-N 419.399 1.497 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2(CN)CCCC2)OC1(C)C 2282840578 HZHBHUYJWHGMAM-UHFFFAOYSA-N 401.363 1.133 30 10 HDEE C=CCCSCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854764 VSNWXTPWNIUIQN-UHFFFAOYSA-N 401.363 1.307 30 10 HDEE CC1(C)CC[C@@H](CO)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858890 FBRIRWLVWGSFFN-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@](C)(C(=O)O)C(F)F)c2)OC1(C)C 2284394341 XERVAAGEEOJOMY-AWEZNQCLSA-N 411.257 1.434 30 10 HDEE C[C@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284414802 KABXMQROSTYBCT-CMPLNLGQSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(C)CCC[C@@H]3O)c2)OC1(C)C 2286911596 ZGOGWCDSIKNJRV-SUMWQHHRSA-N 401.359 1.877 30 10 HDEE C#CCCC1(CCC(=O)N2CCc3nn(CC(=O)N4CCCC4)c(=O)cc3C2)N=N1 2297714636 JTWSAJGHSZIRDN-UHFFFAOYSA-N 410.478 1.106 30 10 HDEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CCCO1 2330938678 JOKGYLFSKOMPJK-GFCCVEGCSA-N 421.479 1.615 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336253129 KULNYWCCLUYQEQ-KBXCAEBGSA-N 402.582 1.946 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)c1cc(I)sn1 2341980340 UTQMSLRHPHRLOA-SECBINFHSA-N 410.302 1.979 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2342052596 DHWWWVNSNIYVSN-LVCYWYKZSA-N 420.531 1.365 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CS)C(=O)O)C[C@@H](P(C)(C)=O)C1 2344175299 QKAHUPXCUNAKQU-IJLUTSLNSA-N 408.457 1.734 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2365213897 YVTGVLIDTMIRSY-VGWMRTNUSA-N 400.541 1.568 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367782737 AUODGNQPPVKUHO-MAUKXSAKSA-N 400.541 1.606 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)COCCN1C(=O)OC(C)(C)C 2367793175 ULWQTZWNBCASFL-YJBOKZPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2367795488 DZZNYYQOZYNRTN-JKSUJKDBSA-N 400.541 1.429 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367803225 IYKILJMDJKUSPA-OAGGEKHMSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCC1 2367813791 GVWYWGGMZILYGX-HNNXBMFYSA-N 400.541 1.437 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CO/N=C(\N)c2ccc(Cl)cc2)c1 15572832 CHCJUGKHGSPNDY-UHFFFAOYSA-N 410.883 1.866 30 10 HDEE CCc1ccc(NC(=O)CS(=O)(=O)[C@H](CC)C(=O)Nc2c(C#N)cnn2C)cc1 16893835 DDVJDQHJOWDLTI-MRXNPFEDSA-N 417.491 1.625 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 18517299 TYMQAALQKHHFCV-SNVBAGLBSA-N 409.236 1.669 30 10 HDEE CCOC(=O)CSc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N 20919702 ZZXLDCGMARXYQG-QGMBQPNBSA-N 410.456 1.119 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2ccccc2F)CC1 26524260 OPHYRIQQEAVUEF-UHFFFAOYSA-N 416.478 1.956 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3C(=O)[C@@H](C)Oc4ccc(N)nc43)cc21 96496154 DRHUXZBVAIMTAI-QWHCGFSZSA-N 422.441 1.961 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CC(=O)N(CCc3ccccc3)C2)c1 109411692 JLGFYOQMMHKEMK-FQEVSTJZSA-N 403.482 1.838 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)Cc2cccc(F)c2)CC1 111227992 KNURTJLRAXMIMB-UHFFFAOYSA-N 423.491 1.534 30 10 HDEE Cc1cc(Br)c(S(=O)(=O)N(C)C/C(N)=N/O)cc1Br 158630234 QDNGABDOSBXYPY-UHFFFAOYSA-N 415.107 1.887 30 10 HDEE COc1cc(/C=N\N(CC(=O)O)CC(=O)O)cc([N+](=O)[O-])c1OCc1ccccc1 169880844 HBEVFJFWWRWOSE-UKWGHVSLSA-N 417.374 1.988 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@]2(COCc3cnc(NC4CC4)nc32)C1 247660251 RWUKAUSYUCPYSL-HXUWFJFHSA-N 411.487 1.785 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 304115243 ZKWPWTHCDCNPSX-ZDUSSCGKSA-N 403.508 1.590 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)n1cnc(C#N)n1 409918066 FMMPEVJXFCHUOD-ZFWWWQNUSA-N 410.482 1.969 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnn1C(C)C 428008963 GGNUDNPNNGDRQS-UHFFFAOYSA-N 402.480 1.186 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](Cc2nc(C)no2)c2ccccc2)CC1 429398680 VOOWLZQTSZKFTH-SFHVURJKSA-N 412.494 1.291 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]2C 440163742 MNXHWLBBQJKIFD-KGLIPLIRSA-N 416.507 1.543 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCO1 461137122 ASFWJCFVLSZMDM-AYBZRNKSSA-N 424.505 1.998 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 469524893 GHDSJIPNFUXBDD-KRWDZBQOSA-N 415.519 1.552 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2ncsc2c1 476406671 NZBTZWJSHRCAGW-GFCCVEGCSA-N 400.489 1.857 30 10 HDEE C[C@H](CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[S@@](C)=O 482940004 ZGDAPACEROJIRZ-DBDZUICISA-N 405.480 1.795 30 10 HDEE N#Cc1ccc(Br)c(CN2CCN(CC(=O)N3CCOCC3)CC2)c1 492371882 ALKKYFBIFGRYSD-UHFFFAOYSA-N 407.312 1.297 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(Cc2nccn2C)CC1 500213033 RJOHIJQCDJDLMW-SFHVURJKSA-N 410.522 1.882 30 10 HDEE N#Cc1cnc(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(Cl)c1 501424112 ZJWIDIQASJLABY-DLBZAZTESA-N 409.877 1.935 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)ccn1 504833117 FGFPOMVMSDRQOY-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 508824835 IQMMUPBUVRTAGF-FUHWJXTLSA-N 404.559 1.930 30 10 HDEE C=CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 513575720 ZMSGTTASUCPYMD-OAHLLOKOSA-N 412.533 1.613 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2ccc(OC)c(OC)c2)CC1 524518512 GAYHKLUSSGSUEP-UHFFFAOYSA-N 404.511 1.266 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 525265759 GOPGDMAAHIGNKG-UHFFFAOYSA-N 418.478 1.450 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN(C)CCCc1[nH]nc(N)c1C#N 534100700 UEUGJGFMNOMCQL-UHFFFAOYSA-N 420.521 1.847 30 10 HDEE C[C@H](C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)n1cnc(C#N)n1 540608788 TWNKPHOOKHEGOD-SNVBAGLBSA-N 402.461 1.876 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 549331205 DOHUVQIZJHGMAA-LSDHHAIUSA-N 413.544 1.191 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 549688565 QTCNHWFKOKDGJM-JKSUJKDBSA-N 407.544 1.811 30 10 HDEE C[C@](CNC(=O)c1ccc(C#N)cn1)(NC(=O)c1ccc(C#N)cn1)C(F)(F)F 551368079 IVRLBCQIELFSHH-QGZVFWFLSA-N 402.336 1.701 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(-c4cccnc4)nn3CCO)cc2C1=O 556043036 RDLODMXTJZRBMC-UHFFFAOYSA-N 417.425 1.972 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)cc1 560717582 NYIOGYDGTWSQFC-OAHLLOKOSA-N 405.501 1.826 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3CCS(C)(=O)=O)cc2C1=O 561043444 TWGQEYIZMJVHLX-HNNXBMFYSA-N 404.488 1.898 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 562029987 VPABVERCOYCUOJ-QAETUUGQSA-N 409.556 1.812 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 569296283 SQPLFBPQXOMZEV-UHFFFAOYSA-N 410.459 1.673 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 586004997 OQYJJEKZAGQSIX-QGZVFWFLSA-N 416.437 1.575 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(F)c1 586859239 XEKKANRUBLLDPN-LJQANCHMSA-N 405.433 1.550 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590324357 LYDOTXVNBQPBRO-FUHWJXTLSA-N 404.474 1.901 30 10 HDEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)[C@H]1CCCC[C@H]1CC 603634393 NJWRMVALBHYKQV-CVEARBPZSA-N 407.515 1.281 30 10 HDEE COc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 604523831 UURHZDAKEBSWAB-UHFFFAOYSA-N 415.475 1.178 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 619510163 WGOYSFRDAFFVDK-UHFFFAOYSA-N 422.533 1.870 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccnn1Cc1ccc(Br)cc1 679530116 BZBRJXJIPMLGRT-UHFFFAOYSA-N 407.268 1.951 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416127 GJXXWQSUAUHYRY-UHFFFAOYSA-N 411.870 1.951 30 10 HDEE CCOc1ccccc1N1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1=O 731862440 FUYMDBIGIYAIAM-DIGCTUSJSA-N 412.446 1.081 30 10 HDEE N#C[C@@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 732648110 NCJLEFVPVNYIDW-OAHLLOKOSA-N 408.549 1.735 30 10 HDEE CCCCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)c1 737305250 GBTYPBIMWFQQON-HNENSFHCSA-N 414.462 1.755 30 10 HDEE CCCN1CCC(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742603215 GCESLXSTDCQGKZ-OAHLLOKOSA-N 406.552 1.742 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)OC(=O)CN2C(=O)NC(=O)C2(C)C)c1 745050486 VRVCRQAUOZVHMY-HNNXBMFYSA-N 414.462 1.812 30 10 HDEE COc1ccc(CNC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1C#N 747422000 JWTBYVYIGSWPBP-UHFFFAOYSA-N 422.441 1.963 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)c(C)o1)c1ccc(C#N)cc1 754184418 VMALVSUGNNMMPM-INIZCTEOSA-N 406.416 1.781 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2cnn[nH]2)cc1 754892541 ZXXVTZSAHQEUCY-JWGURIENSA-N 405.484 1.719 30 10 HDEE COCCOc1ncccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756343039 WGDYPTWGADNCTQ-HIFRSBDPSA-N 405.455 1.987 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)NO1 765374803 ZIPPXISPRPXVFY-ZWNOBZJWSA-N 416.297 1.841 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)cn1 765546801 GSMRZWYENUKJBA-HNNXBMFYSA-N 414.491 1.624 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1-c1ccccc1C#N 777942602 MHURHMSQQSRBQM-UHFFFAOYSA-N 417.381 1.845 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc(C(=O)OCC)cs2)cc1 787342711 NZVBBOLPEJFQBT-UHFFFAOYSA-N 421.500 1.204 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 790845543 YXAVUZBNPBHRNK-QZTJIDSGSA-N 406.479 1.758 30 10 HDEE COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798745779 VORIYAJNJYGUGZ-OLZOCXBDSA-N 401.423 1.318 30 10 HDEE COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802430164 LJFBPKJKRQRVJO-AWEZNQCLSA-N 420.315 1.859 30 10 HDEE C#CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1125884452 VAWRIMHMQPSKMC-ZDUSSCGKSA-N 411.277 1.348 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc(C)c1C#N 1126959502 KQDPPKFJBSLUJM-UHFFFAOYSA-N 401.492 1.364 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O 1130626231 JGQBWPSYGDMRCR-UHFFFAOYSA-N 420.487 1.657 30 10 HDEE CCN1CCC[C@@H]1CN(CCN(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136541493 CZWBMCRKQKEYQI-MRXNPFEDSA-N 424.542 1.611 30 10 HDEE C#CC[C@@H](NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)C(=O)OC 1141995708 XDOHEFGIKKYTFZ-CQSZACIVSA-N 404.810 1.118 30 10 HDEE CC1CCN(C[C@@H](C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1147288141 RXHWRHMLEMAWIH-VQIMIIECSA-N 411.506 2.000 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](O)CC4(CCOCC4)C3)ccc2c1=O 1152953652 SRSGFPZPAAFHPX-HNNXBMFYSA-N 415.515 1.875 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1153617379 UIRXCWNALVDNHP-CQSZACIVSA-N 400.859 1.057 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1153812497 PCBDIXKVDWXMJB-QVKFZJNVSA-N 424.461 1.961 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CN=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12 1163748090 ABAYUAWDENGROO-FQEVSTJZSA-N 406.408 1.973 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1165497170 AFUHRZLJICYRFI-KUHUBIRLSA-N 417.487 1.023 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCn2cc(C#N)c(O)nc2=O)C(C)(C)C1(C)C 1167527145 KSWJSGMLFOZZOM-UHFFFAOYSA-N 404.467 1.331 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1168612641 HTIAIFLJXZMNBA-UHFFFAOYSA-N 402.520 1.919 30 10 HDEE C=C(CCN(C)C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175428204 QOBMOUYWOWIQJT-BBWFWOEESA-N 422.526 1.535 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1212317316 UCXNNPISFCZWLX-NSHDSACASA-N 406.323 1.887 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)cc1 1214914571 VKDUBDMPTKQSSM-INIZCTEOSA-N 420.535 1.904 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)C1CCN(C)CC1 1225347799 HYSVILKZAMQPNB-UHFFFAOYSA-N 420.579 1.860 30 10 HDEE C=CCc1cc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc(OC)c1OC 1225350598 OAZGYKZVEPNIPO-HNNXBMFYSA-N 404.511 1.694 30 10 HDEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 1259120896 FGHMPUXVZLSESK-UHFFFAOYSA-N 406.489 1.702 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(NC(=O)NC)cc2)c1 1264809701 RAGNBISZSRQGEZ-UHFFFAOYSA-N 420.469 1.925 30 10 HDEE COC(=O)CC1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOCC1 1265540745 CKXXTYZNOHRVSS-AWEZNQCLSA-N 419.865 1.793 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C)C(=O)NCCc3ccccc3)CC2)o1 1275043141 BWZUQITUECJSOK-OAHLLOKOSA-N 409.490 1.935 30 10 HDEE Cc1cc(C(=O)NC2(c3ccc(C#N)cc3)CCC2)nc2c1c(=O)n(C)c(=O)n2C 1277437231 FJXFWTKXIYBSKE-UHFFFAOYSA-N 403.442 1.622 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1286377351 VYVACFPIEVUVHS-UHFFFAOYSA-N 410.522 1.111 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1286386256 XNIWQELGQYDUKT-APWZRJJASA-N 401.536 1.738 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1CCOCC1 1286403038 HCOKHEMLDFHPPO-UHFFFAOYSA-N 416.489 1.810 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@@H]1C 1286460368 MNFTVYKTVVZRLV-MAUKXSAKSA-N 417.535 1.862 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2scnc2C)CC1 1286484316 IGLWURABXWZGQL-UHFFFAOYSA-N 424.578 1.903 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286505939 ODZAIEVSHJYNRP-HZPDHXFCSA-N 421.592 1.888 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1286601823 PCBLEWBVJBLCNL-UHFFFAOYSA-N 414.514 1.126 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286958601 AJWPWUSLJNOBEW-QWHCGFSZSA-N 420.495 1.261 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccn3)CC2)n1Cc1ccc(C#N)o1 1288158203 HYSKMGNIPMTKOC-UHFFFAOYSA-N 421.465 1.046 30 10 HDEE CC(C)(C)C(=O)Nc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1289208621 ZGWHZGIBXYDORN-GTNSWQLSSA-N 410.521 1.067 30 10 HDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC)C(C)C 1295249515 BIDMMFVAMQSFRA-UHFFFAOYSA-N 406.512 1.513 30 10 HDEE CCOCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297109921 AOKUAOSNGYEXBN-HEWTWTGNSA-N 418.498 1.202 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NC(C)C)c1 1299950934 FWOKISJUDOIRNU-KRWDZBQOSA-N 414.466 1.216 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1300356228 AKCVDFIBQYIXGZ-UHFFFAOYSA-N 407.496 1.290 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300422257 JBMFXQLRKSJPSK-HKUYNNGSSA-N 404.474 1.857 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCO2 1300459306 RGZPMZIAFHWJEY-QGZVFWFLSA-N 400.504 1.623 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1300509483 MOFJMUOFBWAAHF-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(-c2ccccc2)c1 1300578664 FLSQKMREQPFBCG-HXUWFJFHSA-N 413.485 1.926 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1(CS(C)(=O)=O)CC1 1300581597 UYFBHJJDJPUFIC-KRWDZBQOSA-N 404.536 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1300620990 IUEGFGXUQOJERC-KRWDZBQOSA-N 404.478 1.831 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CCC(=O)N1CCOCC1 1300635187 GSSOLYFMYHYGCY-UHFFFAOYSA-N 411.506 1.608 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)c2ccccn2)CC1 1300681444 PQOBLXVSYFKXLM-UHFFFAOYSA-N 421.549 1.642 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1300989305 NRFYMQXVQPRBOI-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1301603714 FDRRTAZENONQTN-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1301952055 GCSBRQGKYCZBOP-QLFBSQMISA-N 423.543 1.380 30 10 HDEE COCCOCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1302206559 BHQPNEDRTBPDFT-IBGZPJMESA-N 408.478 1.399 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(C)(C)C)nc2O)c1 1302381757 MQIFVYWSOMAJSC-UHFFFAOYSA-N 401.488 1.926 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1)C(=O)OC 1309760479 GXIIVPVCDOXBRR-LBPRGKRZSA-N 406.407 1.982 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 1312539671 VBBFWAWUNUWYSS-JCYILVPMSA-N 406.508 1.910 30 10 HDEE CC[C@@H](C)N[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccco1 1312679880 INKDTZOYJBTXPH-DOMZBBRYSA-N 400.439 1.109 30 10 HDEE C=C1CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1313276677 WBONMBXLGJJFNR-OAHLLOKOSA-N 401.529 1.772 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)C1 1314960698 FDUXVHVURFOJJN-QFIPXVFZSA-N 418.505 1.869 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1315730611 FGFMGNPOTKZEME-ZWKOTPCHSA-N 416.526 1.696 30 10 HDEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@@H](C)O2)[n+]1cccc(CO)c1 1319524058 FYCNXAKJEURVQJ-CYBMUJFWSA-O 410.475 1.620 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1358872163 POUBYHUMBJMAST-GJZGRUSLSA-N 405.524 1.598 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1358920140 SYNUGTQAFKFAFI-QGZVFWFLSA-N 422.599 1.756 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1358961147 SGTKWNMPUJIHCS-HOTGVXAUSA-N 421.498 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC[S@](=O)CC 1358968172 AYFPDJMACFPPKH-GDLZYMKVSA-N 411.531 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(-n2cccn2)c1 1358968791 ZLOQQGAEULWLDD-UHFFFAOYSA-N 402.462 1.118 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1cn2ccccc2n1 1359023035 WLRBUHWTRLDKOO-UHFFFAOYSA-N 402.462 1.712 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2cccc(C)n2)CC1 1359034632 YJEMRBOOEHXDOI-UHFFFAOYSA-N 404.522 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCCCCO)CC1 1359047499 IPNWSMPDMHDZKI-GOSISDBHSA-N 403.527 1.648 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1359057468 ZXLBMISCILEOLG-MRXNPFEDSA-N 411.597 1.077 30 10 HDEE C=CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1359249061 NBQWKAIXEZDYPM-MRXNPFEDSA-N 402.524 1.919 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CC=C 1359294255 OYIPTKAYMLJLBH-UHFFFAOYSA-N 418.523 1.120 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)C1 1359322311 SWUGBFIKDRIOHX-GJZGRUSLSA-N 412.581 1.857 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1360644839 DLVKCVPSTVYQJC-QWHCGFSZSA-N 421.527 1.542 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 1445526963 NGSZTFMGGXXSND-MSOLQXFVSA-N 409.483 1.496 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)C2=O)cc1 1448832837 BLDCPDYAEPQAGW-KFWWJZLASA-N 408.380 1.090 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 1450549164 UJLPRCLALLDLRR-AUUYWEPGSA-N 401.488 1.903 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CSC1 1453165341 RJTDILWTJICNER-UHFFFAOYSA-N 403.323 1.305 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CC1 1455193270 UGLIVFVYJDQIPB-IBGZPJMESA-N 413.518 1.136 30 10 HDEE N#C[C@]1(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCOC1 1456895871 MISTZGVGGIIFRB-GOSISDBHSA-N 411.549 1.902 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCN([C@@H](CO)c4ccc(Cl)cc4)CC3)nc12 1459462757 CRRVBLTUWMJMAU-SFHVURJKSA-N 412.881 1.811 30 10 HDEE CC(C)CN(C(=O)CN1CCC[C@H](CC#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 1460412776 BKWMMNXKVPBGAT-MRXNPFEDSA-N 418.542 1.802 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)c(C(N)=O)c1C 1464949933 AKWIYVSQXOTOQI-UHFFFAOYSA-N 403.446 1.508 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@@H](C(N)=O)[C@@H](C(N)=O)C1 1466816186 ICVICMYMHRAFHM-PHIMTYICSA-N 411.256 1.064 30 10 HDEE C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1469855882 BMXBOBGXSJTMII-BUISFCEBSA-N 413.478 1.891 30 10 HDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCOCC1 1470312325 QMZPBECXIUCPJJ-HXUWFJFHSA-N 404.532 1.778 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1470570460 DALHQPWXAMDUKJ-UHFFFAOYSA-N 413.566 1.576 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471089636 LNWNZUALSFSEEF-LRDDRELGSA-N 412.439 1.211 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)Cc3ccc(F)cc3)C2=O)cc1 1471900760 SGUXSLQGAROLMB-RBUKOAKNSA-N 424.432 1.622 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C)CC1 1477540787 UWPVTRCMAXQGLN-MRXNPFEDSA-N 406.552 1.737 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1478499166 IJKFWGUMLGHLHR-OAQYLSRUSA-N 422.485 1.906 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1ccco1 1503281317 BSPLFUNRYRGRKD-UHFFFAOYSA-N 414.491 1.985 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC[C@H]2COCCO2)CCO1 1505326179 WJWPGFSVSATRSU-VQTJNVASSA-N 411.506 1.988 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1507581093 QVAVDHVRFIELQG-KRWDZBQOSA-N 417.897 1.972 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1CCOc1ccc(S(C)(=O)=O)cc1 1507607781 DDVXJECVLAMREM-UHFFFAOYSA-N 411.487 1.892 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507632933 BPFGRJZFVNTWFE-DYESRHJHSA-N 414.531 1.301 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(C)c1 1507664816 GKMJOSLGVFFPRE-UHFFFAOYSA-N 415.501 1.880 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1cnnn1C 1507708413 HUPZERLCYLHGJQ-UHFFFAOYSA-N 404.478 1.700 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2=CCCOC2)CC1 1507739302 OTFKZOXTQPPSQX-LJQANCHMSA-N 413.522 1.832 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2o1 1508086207 KBQWDRVAORLBHQ-INIZCTEOSA-N 408.462 1.914 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1508417628 IJZMJFMNXRULFU-XJKSGUPXSA-N 405.466 1.658 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1509961420 ZBJPTUAWESNQCG-LBPRGKRZSA-N 408.418 1.887 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1519180992 IQZFUSBIAIETHL-QGZVFWFLSA-N 424.505 1.870 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1519449145 KYNXBZCIGPAVOD-NXOAAHMSSA-N 407.515 1.792 30 10 HDEE COc1cc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1C#N 1520629842 RGVQLWLXZQJXOZ-CQSZACIVSA-N 416.478 1.651 30 10 HDEE C#CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@@H]1CCS(=O)(=O)C1 1530298225 WKNNEMPFTJZJCQ-CYBMUJFWSA-N 413.293 1.208 30 10 HDEE CC(=O)N1CC[C@H](CN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1533918652 FVZVKHCCZMYHEF-AEFFLSMTSA-N 411.462 1.090 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539062995 JCTJXPZNWYJYKT-QGZVFWFLSA-N 400.508 1.109 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[S@](=O)C(C)(C)C 1539232497 GCLFCELYDHQVFH-LJAQVGFWSA-N 412.519 1.545 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(COC)CCCCC2)CC1 1539446029 OHWDUBKABMHLBH-SFHVURJKSA-N 414.554 1.581 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539722780 RPSCLLBDDJXJDQ-IAGOWNOFSA-N 407.515 1.347 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539752794 ZXGPVEDISCTCGW-GOSISDBHSA-N 411.510 1.413 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1541111474 LSAVRURBONHMAF-HNNXBMFYSA-N 420.477 1.857 30 10 HDEE CC1=C(C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1542043829 JIQVVCIBZARLKZ-MXLIYFDZSA-N 412.494 1.855 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1544229715 CGSVRPOIMXGRFF-CVEARBPZSA-N 405.499 1.891 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC(C)(C)O1 1544755998 PNCRCHNGLOMZPY-HNNXBMFYSA-N 407.482 1.897 30 10 HDEE Cn1nncc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1554368050 IYPNVSBZGRBOLJ-UHFFFAOYSA-N 420.525 1.637 30 10 HDEE COC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1555255551 GXWKLPFNCPQHBL-NXHRZFHOSA-N 404.515 1.010 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1555636925 MXAKGKHNNIFREL-AUUYWEPGSA-N 408.478 1.490 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(OCc3ccncc3)cc2)CC1 1556504461 ZDAWBGLBETWKFQ-UHFFFAOYSA-N 406.486 1.097 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nccn2C(F)F)s1 1558042208 JDPAXTRMFUXIDP-UHFFFAOYSA-N 404.464 1.705 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1558110811 QFGZNDVEJBHMAF-LBPRGKRZSA-N 405.314 1.756 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)C1 1558329050 JUKHGTFSGQVSAH-LJQANCHMSA-N 413.518 1.770 30 10 HDEE C=CC1(CC(=O)NCC2(S(=O)(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1558392395 JJMZDHREOCFPTP-UHFFFAOYSA-N 401.529 1.340 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1558465150 YMZHVWBZJJITOW-CYBMUJFWSA-N 405.505 1.687 30 10 HDEE CO[C@@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)C(=O)OC(C)(C)C 1558973321 MLJKFUACNXUEMH-LBPRGKRZSA-N 414.256 1.526 30 10 HDEE COc1cncc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)c1 1560072996 YSBGRIGQZYXNPI-UHFFFAOYSA-N 417.473 1.908 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)nn1 1562465330 CFVXDPYSPASYCR-AWEZNQCLSA-N 405.484 1.219 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 1565156417 JGHNUBORFIFRSG-OALUTQOASA-N 401.507 1.963 30 10 HDEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)CC3(C#N)CCOCC3)CC2)CC1 1565917830 PHKPYZDQBALWHF-UHFFFAOYSA-N 404.555 1.878 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2[C@H]2CCCCC2=O)c1 1566709903 FFMDNKVELQJWQY-PBHICJAKSA-N 408.451 1.723 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@H](OCC)[C@@]23CCCO3)s1 1567413981 IEUQYYWYSOUYLA-RVKKMQEKSA-N 414.549 1.598 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnccn1 1570801582 AGPMQTJAIRLTCJ-AWEZNQCLSA-N 401.492 1.953 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N2Cc3cccc(C#N)c3C2)cc1OC 1583269862 YOGHEOMMDHQODY-UHFFFAOYSA-N 415.471 1.786 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)O 1588229004 PBGRYXFEXQWNLF-UHFFFAOYSA-N 407.522 1.686 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588262783 LCPGONBLMHTUOI-DYESRHJHSA-N 401.511 1.702 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(=O)NCc1ccco1 1588628497 KDFFDRNCIAEJPH-UHFFFAOYSA-N 408.462 1.644 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1588857953 VZWOHMANHLHMAF-HXUWFJFHSA-N 406.534 1.487 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(C)C)CC2)CC1 1588885280 UPYNDTYZNXTLSW-UHFFFAOYSA-N 414.554 1.818 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595418729 XQFAKUNPGPRMJH-RXVVDRJESA-N 423.565 1.829 30 10 HDEE C#CCN(C(=O)Cn1c(C)cc(O)cc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1596141660 DHLJNNRISDRANL-UHFFFAOYSA-N 403.479 1.724 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)cn(C2CC2)c1=O 1598065754 NUQUQPXJVOYMBM-UHFFFAOYSA-N 423.311 1.634 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC(F)(F)C2(O)CCCCC2)cc1 1606913838 BWJBLJAFFJBKEF-UHFFFAOYSA-N 400.447 1.920 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1 1611243848 CJEBRUCSJYIVBS-IVZWLZJFSA-N 400.690 1.983 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1611815403 ARMAONYBBKBBIO-MRXNPFEDSA-N 421.461 1.790 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)s1 1612518643 JGDUMAPNGXFMOY-HUUCEWRRSA-N 403.512 1.694 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1614975479 DDRPQMCANBRLTH-CQSZACIVSA-N 418.523 1.613 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 1616048886 OSGFHEYZWQHGNR-KSFWRXLCSA-N 418.461 1.997 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCO[C@@H]1CCOC1 1617907651 HBWBOQNMCSIFFE-RTBURBONSA-N 424.505 1.933 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccccc1 1620025460 QCJCTBMCJPLQJC-HGHGUNKESA-N 415.494 1.639 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCNc2ccccn2)c1 1620349327 OEVKAPZUOUHYGD-UHFFFAOYSA-N 402.462 1.650 30 10 HDEE CCn1c(CN2CCC[C@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1620565750 AYPLRXWGNWNWJD-MRXNPFEDSA-N 417.535 1.813 30 10 HDEE C#CCCCS(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1622139318 ACYDMEDJHGZSGN-UHFFFAOYSA-N 405.564 1.691 30 10 HDEE CC(C)[C@@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)N1CCCS1(=O)=O 1624735216 TXDVXMPXQSNNDJ-SFHVURJKSA-N 401.492 1.802 30 10 HDEE CS(=O)(=O)NC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1625117651 VYIWRQSDWLBBGI-UHFFFAOYSA-N 400.298 1.403 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 1626535236 VDHIYGIXDDDSTK-FQEVSTJZSA-N 415.446 1.392 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc3ncc(I)n3c2)CC1 1628354941 SDCXPNWVOYZMDN-UHFFFAOYSA-N 408.243 1.720 30 10 HDEE CC1(C)CN=C(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)S1 1630693328 SDEPHUBKTIBCNF-UHFFFAOYSA-N 424.523 1.762 30 10 HDEE CN(CC(C)(CO)CO)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1633095932 BIDYYUPNMMSXPV-SFHVURJKSA-N 417.506 1.842 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN3CCOC[C@]3(CO)C2)cc1C 1635833538 BPSONXJAQMXSBP-HSZRJFAPSA-N 423.517 1.600 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1637389021 ARDPIVUQMFCBAP-JKSUJKDBSA-N 410.515 1.087 30 10 HDEE Cn1c(=O)[nH]c(N2CCC3(CCC[C@H]3CNC(=O)OC(C)(C)C)CC2)c(C#N)c1=O 1640539882 QOJRCAPZTKEFRH-AWEZNQCLSA-N 417.510 1.857 30 10 HDEE C=CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H](C)COC 1641334424 IJIUOOKDDNMYDE-CABCVRRESA-N 404.529 1.460 30 10 HDEE COC1(OC)CCOC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1641889460 OYXNTPIPGVTSQY-SIRSKZSMSA-N 423.510 1.667 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)C(C)C)nnc12 1641931942 BKOVWYVDJZLXEH-AWEZNQCLSA-N 401.492 1.455 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1 1643887838 DXLLUPBLCFRUJD-APWZRJJASA-N 411.487 1.325 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)C1 1644638497 SOKOMYJEDUQRJO-SLFFLAALSA-N 406.486 1.792 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2cncc(Br)c2)C1=O 1646140210 OVRHNEPUMHVGOA-CYBMUJFWSA-N 421.251 1.484 30 10 HDEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1CCC(Cc2ccccc2)CC1 1648155438 GNESHPAVZXJBOI-PIPMEXSNSA-N 415.559 1.726 30 10 HDEE N#C[C@@]12CN(CC(=O)NCC3(c4ccccc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1648415512 KOPOIPNQPINQCU-RXVVDRJESA-N 401.532 1.485 30 10 HDEE CN(C[C@H](O)c1cccnc1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1648501295 CWBMJUHIVTWBBJ-MSOLQXFVSA-N 407.430 1.350 30 10 HDEE COc1cc([N+](=O)[O-])cn(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1=O 1652136107 IWYBYEJNDYNJHC-UHFFFAOYSA-N 409.320 1.952 30 10 HDEE CC(=O)c1ccc(N2CCN(C(=O)Cn3cc([N+](=O)[O-])c(C#N)n3)CC2)c(F)c1 1652976055 DTOBWZIZJCPSDY-UHFFFAOYSA-N 400.370 1.353 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CCOCC1 1655947368 YPHFNTLYNKDEMB-UHFFFAOYSA-N 418.537 1.860 30 10 HDEE CS(=O)(=O)N1CC(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1660442614 VSTQQVOPVXSBBF-IUCAKERBSA-N 416.334 1.981 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1662029111 AALKXPSRJOPEQQ-NEPJUHHUSA-N 410.311 1.474 30 10 HDEE COC(=O)C[C@]1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1 1662682409 HLCRPGOVAGMOKM-CQSZACIVSA-N 421.244 1.460 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)CC1 1665083037 QJHRYKRKSOTMHI-UHFFFAOYSA-N 406.508 1.239 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1 1666222533 KIKRXVXUJQNHLK-UHFFFAOYSA-N 413.522 1.940 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1669388544 QPCAVHHCLWFMSL-CYBMUJFWSA-N 408.886 1.708 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CC1 1677105809 RIILIRABJODXHD-RLLQIKCJSA-N 406.571 1.868 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCOc1ncccc1F 1689826545 PYUNJUSEIPTCRV-AWEZNQCLSA-N 409.425 1.996 30 10 HDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](C(=O)NC)C1 1689900344 FGBNOYOJNMYLGD-IBGZPJMESA-N 411.506 1.654 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690175224 SBWCNYYCYQVCEY-DLBZAZTESA-N 403.552 1.740 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2oncc2C1 1690236561 OLDJRRHUOJYGNT-WMLDXEAASA-N 400.483 1.948 30 10 HDEE C=C(Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1690324082 IERKRKQFAOTXQI-GOSISDBHSA-N 408.506 1.337 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnn(C)n1 1690563236 KVLYWGKYIFWBKU-OAQYLSRUSA-N 424.509 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](OCC=C)C1 1690666795 HARRKAOBSJEOTR-MRXNPFEDSA-N 411.462 1.757 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)S[C@@H](C)C1 1690723470 SMGPXPMHDIDLDQ-IHRRRGAJSA-N 413.569 1.160 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCN(C)c1ccccc1 1690993019 DFCNPCDOGKAYDC-HOTGVXAUSA-N 419.555 1.621 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1OCCC1(C)C 1692788079 SKUZYTBDTASUEX-ZBFHGGJFSA-N 424.571 1.833 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCS(=O)(=O)CC2)C1 1693709555 FXKLRAHFNOBELW-OAHLLOKOSA-N 415.519 1.603 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC 1694257036 CHBGTZWTWXYMGU-ROUUACIJSA-N 417.535 1.983 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1696429154 HJLJKVHWMTUVRZ-UHFFFAOYSA-N 420.477 1.440 30 10 HDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697775245 QFKRGERQILDEQP-QGZVFWFLSA-N 424.484 1.861 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1705492413 QEKYBKJFYZLWJO-UYAOXDASSA-N 402.587 1.904 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1705561691 VTTKIEWYSWQESQ-SJORKVTESA-N 424.567 1.398 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cnnn1C 1705623779 DVSLUCVOZZNLFX-UHFFFAOYSA-N 415.885 1.870 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2c(CC)noc2C)CC1 1705640798 GSEOKVCCRZMNEP-UHFFFAOYSA-N 405.506 1.926 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=C)Cl)CC1 1705645266 PJEWDGXKTIQGPA-OAHLLOKOSA-N 409.918 1.720 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(OC)CCOC2)CC1 1705646344 WWGPJLZUBJVSHM-QHCPKHFHSA-N 423.517 1.716 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(N)=O)C1 1705680614 DFJZONHKVBDILQ-NWDGAFQWSA-N 402.293 1.222 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705725353 WJEYRMHLYDAMNQ-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1705730172 GPDISCGFJQQBEO-GJZGRUSLSA-N 401.533 1.096 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)CC1 1705934447 NASVMNINMUBWSX-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1705934630 RMCFSMKOZGREDX-OAGGEKHMSA-N 409.556 1.845 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1706585202 CPABSFJEQJQFPY-GOSISDBHSA-N 412.494 1.730 30 10 HDEE C#CCOCCC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1719520651 BFMAVRVLLFSUBH-KSIVUZQRSA-N 402.535 1.973 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722322317 RKOWEVMYXNDBPS-ZDUSSCGKSA-N 414.432 1.335 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1722346570 YOVHDBJPERWETR-HZPDHXFCSA-N 409.556 1.840 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCCS1(=O)=O 1722354133 JQLNDDGJHSGURV-QGZVFWFLSA-N 412.519 1.553 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1722371107 HBVGWIUTVMRDRB-PKOBYXMFSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1722378715 IBEWRTGPPHGXCU-NRFANRHFSA-N 423.546 1.016 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1722384100 TVPJMVKGGSZGKS-MRXNPFEDSA-N 415.494 1.149 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1722433566 AEKVYEAYRJUJAU-UHFFFAOYSA-N 407.522 1.150 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1722438568 ZIRGGWCHCPKXCS-KRWDZBQOSA-N 418.542 1.452 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](OC)C2CC2)CC1 1722445721 AWDIQAJOOPUKCU-SFHVURJKSA-N 411.510 1.069 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722453725 AHFZDOFOTGUKCJ-INIZCTEOSA-N 412.519 1.534 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)NC(C)C 1722474528 ONBALLVKDBPBQO-QFBILLFUSA-N 409.556 1.840 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1722639864 HQKOOBRRKBJVQP-SFHVURJKSA-N 413.478 1.662 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCCC1 1722698073 BQHUBSPUQCNXNT-HNNXBMFYSA-N 420.514 1.489 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1722732563 MSLVCAQXCFNQSC-ZIAGYGMSSA-N 417.601 1.811 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1722867426 GJLINNMNMBNZRL-QINHECLXSA-N 417.535 1.684 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCOCC1 1724589984 DOJDXBOVUXUDCX-QGZVFWFLSA-N 410.478 1.231 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1726636977 DLCUCEVQPNXQSG-RHSMWYFYSA-N 421.505 1.398 30 10 HDEE CCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1728455897 YTZVRKRSEUZWDT-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)CCO1 1729679052 GMWPHBUYXJAESC-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE C#CCCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740576089 YKHXMLZPRZVIDB-UHFFFAOYSA-N 414.579 1.944 30 10 HDEE C#CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCOCC1 1740594622 SWLCHQJLDWNFRX-UHFFFAOYSA-N 408.550 1.893 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C(C)C)n1CCS(=O)(=O)NC 1740613419 HIAYIBBHUUNASU-UHFFFAOYSA-N 419.551 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1740658173 DBQJAIOKAJZIPI-WZONZLPQSA-N 424.501 1.869 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC(N)=O 1740716840 BIEYIQLANHHXSL-WMLDXEAASA-N 415.519 1.857 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740742844 CZXYUIIIHYHRNY-HNNXBMFYSA-N 423.359 1.807 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1740811099 LWEDQYHXZKKMCQ-AWEZNQCLSA-N 417.963 1.833 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1740900235 WNNLIIOPOQWRDL-OAHLLOKOSA-N 413.613 1.630 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1740947198 RSJGZWORXBQNPH-CVEARBPZSA-N 409.556 1.956 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1748734940 KXMBZOJLVQYQDQ-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1748784275 HVOVQZBPBQBIAI-MRXNPFEDSA-N 424.505 1.967 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1748846292 FWKQOEQBUUNTSL-GOSISDBHSA-N 411.531 1.589 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCC(C)CC2)CC1 1748991242 UFYDHPBHYDSHSP-RBUKOAKNSA-N 413.570 1.105 30 10 HDEE C#CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1749049240 ZWZXDWQHZFUHOU-DNVCBOLYSA-N 408.524 1.296 30 10 HDEE C=C(Cl)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1749283882 DDYFEJZRPWVUJB-LJQANCHMSA-N 419.917 1.799 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)COC)CC1 1749364104 NGZMKTUGXBWEBK-OAHLLOKOSA-N 404.515 1.127 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749629807 GPUVRCOXCPZMJK-CVEARBPZSA-N 405.528 1.416 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(F)cc2Br)nnc1N1CCOCC1 1749658407 PIZJONWBCSDFCU-UHFFFAOYSA-N 424.274 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749664048 VTYAANUBBIBIOG-OAHLLOKOSA-N 405.453 1.852 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)C[C@@H]1CCCO1 1749732292 UYRXWMIXOSNBNQ-SJORKVTESA-N 412.556 1.778 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)c1 1750382223 QFNYRFLRIYRZHA-CVEARBPZSA-N 400.389 1.970 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCNC(=O)C2CCC2)CCO1 1750389156 WRXRIEPOBAJOCK-QGZVFWFLSA-N 414.535 1.966 30 10 HDEE C[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)COCCO1 1751303193 IACFBVLGDMHPFH-RTWAWAEBSA-N 410.478 1.324 30 10 HDEE C#CCCCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1760159906 SHBBKMASZLGNDG-FXAWDEMLSA-N 424.567 1.747 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1760525630 LXYZOVLKVBJQLW-KRWDZBQOSA-N 416.551 1.537 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(=C)C)C1 1760543441 PDMPJNVTARPCEW-DLBZAZTESA-N 410.540 1.554 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2)C1 1760545458 UXUIHDAZWODESB-KGVIQGDOSA-N 411.506 1.918 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1763580590 DFTWTWCXLZMHQQ-GOSISDBHSA-N 424.505 1.870 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCSCCCO)CCN1C1CC1 1770748808 RVLOSJKOWZOWCL-DOTOQJQBSA-N 406.556 1.074 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(F)(F)CO1 1771544708 WIADFEQJMJEOPU-OAHLLOKOSA-N 408.453 1.955 30 10 HDEE C=CCCc1nnc(NC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)o1 1852664345 KWHDJJHANQRFRY-INIZCTEOSA-N 404.492 1.468 30 10 HDEE Cn1nc(C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)c2c1CCC2 1852787510 ZGONLXUJPPEXKF-UHFFFAOYSA-N 420.926 1.869 30 10 HDEE COc1cc(OC)nc(O[C@@H](C(=O)N2CCN(CCC#N)CC2)c2ccccc2)n1 1853212489 JAKKWEAQUMESAQ-LJQANCHMSA-N 411.462 1.672 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1CCCc1cnc2ncnn2c1 1854241445 OAALGCRXKITZJQ-OAHLLOKOSA-N 403.446 1.302 30 10 HDEE C=CCCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C(=O)[C@@H]1C 1854279830 FBUGIDHOFPEHJZ-INIZCTEOSA-N 408.520 1.885 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1=O 1854658173 DPNKCJJXFMDVTG-SFHVURJKSA-N 408.520 1.885 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)Cc3cccnc3)C2=O)C1 1854881285 CWOFHIXGXBTYIA-LJQANCHMSA-N 405.458 1.562 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)c1 1856271611 YVOQINGDAKEXGR-UHFFFAOYSA-N 409.442 1.939 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)COc3ccccc3)C2)C1 1856377739 CKGHVDIDTVZICH-MRXNPFEDSA-N 406.442 1.470 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)c3nccnc3N3CCCCC3)C1=O)CC2 1856530988 COBOHZMYFJOEKC-IAGOWNOFSA-N 408.506 1.834 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(Cn3cnc4ccccc4c3=O)CC2)CC1=O 1856648983 GARNQRDEIPKGHA-QGZVFWFLSA-N 407.474 1.397 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnc3ccc(C)cn23)C1)[C@@H]1CCN(C)C1=O 1857269168 KHCMFYCQVFYZGS-DLBZAZTESA-N 409.490 1.350 30 10 HDEE C=CCNC1=C(c2ccc(OC)cc2OC)C(=O)N(CCCN2CCOCC2)C1=O 1863758047 CJZABNMFSWNBTG-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE COCCn1cc(OCC(N)=O)c(=O)cc1CSc1nc(C)c(C)c(C)c1C#N 1870182084 JHLASXCHYKDMMQ-UHFFFAOYSA-N 416.503 1.843 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NC3CC(C)(C)NC(C)(C)C3)CC2)CC1=O 1872918132 UATIZWWOWZBNRY-KRWDZBQOSA-N 418.582 1.685 30 10 HDEE COc1cccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 1873528927 KIOMUWNCBKZUOR-MBCCIFHSSA-N 412.855 1.417 30 10 HDEE COc1ncc(Cl)cc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889303473 SRTQZPAIISLTLT-UHFFFAOYSA-N 420.941 1.616 30 10 HDEE CCOc1ccc(-c2ccc(=O)n([C@H](C)C(=O)NCC#CCN3CCOCC3)n2)cc1 1890032121 XKXZZHCBBCXLBW-GOSISDBHSA-N 424.501 1.322 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985100283 DQECGWOOVDGSDV-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE C#CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074680443 KYLPITKUDKYJGI-OANHIGOFSA-N 408.476 1.031 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2174790064 YDZIIXWWSMIYSD-MZHQLVBMSA-N 414.509 1.749 30 10 HDEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)NCS(C)(=O)=O 2203124320 IBTAAKCFFLHSMG-NSHDSACASA-N 402.347 1.752 30 10 HDEE CCN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247826888 BBOZHOUTRGOMLG-UHFFFAOYSA-N 420.319 1.790 30 10 HDEE Cc1c(C(=O)NCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247916965 AJIBGKFSGHBPMG-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2248441346 LNCXNIOLLOUQJX-HZPDHXFCSA-N 422.331 1.915 30 10 HDEE C[C@H](N)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2281969916 BCVDZODOBMXYSB-CMPLNLGQSA-N 400.737 1.889 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)C[C@]3(C)CO)sc2Cl)OC1(C)C 2281971410 HVCUTCRWSPWXKA-BMLIUANNSA-N 401.721 1.659 30 10 HDEE CCN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2281998420 OPSARNSZTDICPI-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CCN([C@@H]1CCC[C@@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282347426 YDQNULFQINSVSM-OLZOCXBDSA-N 401.359 1.971 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282496873 IUAMFVHRQLNFBX-STQMWFEESA-N 401.359 1.856 30 10 HDEE CCc1nc(C(=O)NCCS(=O)(=O)CC)c(B2OC(C)(C)C(C)(C)O2)s1 2282522583 MQCWFWHVLNLNPU-UHFFFAOYSA-N 402.347 1.169 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282597194 IKOCSHTZIBAMDT-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE COC[C@H]1C[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837562 VRDWRUAEQDVXJT-NWDGAFQWSA-N 402.347 1.144 30 10 HDEE C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866654 MZQCEXALQBHLHL-JTQLQIEISA-N 402.709 1.181 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2C[P@@](C)(=O)C[C@H]2O)OC1(C)C 2282870962 ZRWZRVBDQWVLHR-DNLDONJPSA-N 421.286 1.062 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2296248135 SNVUFTKRSHOBDN-MFKMUULPSA-N 402.347 1.226 30 10 HDEE O=c1c(Br)c(NN=Cc2ccco2)cnn1[C@H]1CCS(=O)(=O)C1 2322659616 BVZCFLBFNBNGJX-VIFPVBQESA-N 401.242 1.404 30 10 HDEE C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COCC)=C31)O2 2333100235 UBMOPFJLLXVNIM-JWOSDPRPSA-N 408.447 1.661 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 2365203789 VFUDIQRWNXWIPH-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365207814 AMEPORLWSLUDNU-KSMMKXTCSA-N 401.525 1.779 30 10 HDEE CCC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)NCC 2367823720 JACJZMMVKPHBTB-HNAYVOBHSA-N 402.557 1.601 30 10 HDEE Cc1scc(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369536969 WOEHKGAGZKRJEQ-JQWIXIFHSA-N 401.359 1.907 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@H]1CNC(=O)OC(C)(C)C 2375783544 CEGLQNFZCFJDLK-PMUMKWKESA-N 402.513 1.420 30 10 HDEE CCOc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc(Br)c1O 169897974 BKHZYBGFKJLZMM-LSCVHKIXSA-N 411.256 1.926 30 10 HDEE COC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427103416 XJFNGGBVQPKFAL-LBPRGKRZSA-N 424.504 1.376 30 10 HDEE Cc1nc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)ccc1C#N 436708052 ZQHNSIVSFYSTHO-UHFFFAOYSA-N 402.432 1.241 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)NC1(CC(=O)OC)CCS(=O)(=O)CC1 439224396 OVYNUSNIJDDVPB-UHFFFAOYSA-N 409.464 1.589 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)NC3CCN(C(C)=O)CC3)c2c1 440088617 ATWWRVOOOFNZCO-UHFFFAOYSA-N 412.446 1.630 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 442982833 MOYBANFDQWVEKJ-YMAMQOFZSA-N 404.492 1.133 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@@H](CNC(N)=O)C2)CC1 446636411 FTOHAMWKYNGYAN-OOHWJJMZSA-N 400.483 1.733 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461324886 SJRFQLKDTOIDAC-ZIAGYGMSSA-N 421.461 1.824 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 464783750 PGUUNZPVQQMHJR-OAHLLOKOSA-N 416.478 1.851 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1=O 468760278 AJYLMTGSIWFRPL-INIZCTEOSA-N 404.430 1.868 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OC)n1 471006671 OBKKVKRWDILUJK-UHFFFAOYSA-N 402.432 1.497 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 477088942 PYYRYUSKZHDKIO-UHFFFAOYSA-N 404.423 1.004 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cc2)cc1 500526040 OWPIOVBCTIOJSN-UHFFFAOYSA-N 402.414 1.932 30 10 HDEE CO[C@@H]1C[C@@H](c2n[nH]c(C3CC3)n2)N(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1 503129656 CQVZTLBXNIPSCQ-WBVHZDCISA-N 406.446 1.431 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503739759 SYGFPJKXDHVVPH-SFHVURJKSA-N 413.455 1.819 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 504552969 FGPBVDSQWRLTER-DLBZAZTESA-N 420.425 1.719 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CC1 508633972 UQGINYRKRYGGQF-SFHVURJKSA-N 409.515 1.897 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508748263 QMVOKZFEWCJLIT-JKSUJKDBSA-N 417.514 1.586 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@]2(CCOC2)C1 508809433 LXTDDMZXWBNICP-OAQYLSRUSA-N 408.462 1.374 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1C#N 535511072 NVLVVAWNOMLGLG-INIZCTEOSA-N 400.508 1.667 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 536266715 OZGQCQCKWPXOMD-CWFSZBLJSA-N 412.515 1.787 30 10 HDEE CCOc1ccc(NC(=O)Cn2ccnc2C#N)cc1S(=O)(=O)N1CCCCC1 550944458 YDNACLNEENUTFD-UHFFFAOYSA-N 417.491 1.967 30 10 HDEE CCN1CC[C@H]2OCCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)[C@H]2C1 575005523 NPKVIZABPNYXKQ-JKSUJKDBSA-N 414.325 1.804 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCOCC3CCC3)n2)c(Cl)c1 576633244 JKWGMTSVQQZNOG-UHFFFAOYSA-N 401.854 2.269 30 10 HDEE C#CCN(C(=O)c1nn(CCCCC)c(=O)c2ccccc12)[C@H]1CCS(=O)(=O)C1 729332409 YKGKQEVUWLKYGP-INIZCTEOSA-N 415.515 1.849 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 742407160 AJHYAOOIBPYDCG-LJQANCHMSA-N 420.922 1.715 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 749313979 XVSPEIITMWYTOT-AWEZNQCLSA-N 409.464 1.607 30 10 HDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 751924676 YSBNRLJXNGMWOG-ZBFHGGJFSA-N 419.551 1.129 30 10 HDEE Cn1cnc2c1c(=O)n(CCCON=C(c1ccccc1)C(F)(F)F)c(=O)n2C 751961250 CGULILYMCXQXOP-UHFFFAOYSA-N 409.368 1.807 30 10 HDEE Cc1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c(=O)[nH]c1C 758002574 GZOKMLLYWAFVDQ-PXLXIMEGSA-N 403.464 1.452 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2)C1 760302022 QLOUUTXEFXGGIG-LSDHHAIUSA-N 403.508 1.558 30 10 HDEE CC(=NNc1ccc(C(=O)O)cn1)c1cccc(S(=O)(=O)N2CCOCC2)c1 763369973 ZLMJSKCRKWCCON-UHFFFAOYSA-N 404.448 1.637 30 10 HDEE CN(c1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cs1)C1CC1 769061214 BQBFKKICGIZSLI-UHFFFAOYSA-N 406.489 1.524 30 10 HDEE C#CCN(C(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@H]1CCS(=O)(=O)C1 769682311 OXPFMSXKOIFPGD-QFBILLFUSA-N 419.478 1.003 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CCc2nnnn2C)C1=O 771539842 SFQSCOYQLIBFJR-CQSZACIVSA-N 401.496 1.137 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)[C@H]1Cc2ccccc2O1)c1cc[nH]n1 772439815 XSOYXKXHOJPGPX-SUMWQHHRSA-N 400.435 1.544 30 10 HDEE C#CCN(C(=O)NCc1cc2c(cc1OC(F)F)OCO2)[C@H]1CCS(=O)(=O)C1 774254651 YBHOXSDPBUUJMY-LBPRGKRZSA-N 416.402 1.349 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@H]1CCS(=O)(=O)C1 777174187 ONHXHUNKBJHOCD-YOEHRIQHSA-N 404.488 1.823 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780906895 RBOJDQAEUKNFGV-LJQANCHMSA-N 401.488 1.937 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(=O)N2CCc3ccccc3C2)n1 788958639 ZRYIKZRQFNSZFM-UHFFFAOYSA-N 409.490 1.259 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC12CN(C(=O)OC(C)(C)C)C2 789374958 MYCJTIUAMURZEX-CQSZACIVSA-N 405.476 1.929 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)c1C 790683959 HUCVTPJIGMRKBA-QFIPXVFZSA-N 411.458 1.706 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 800080483 COENEPGCTDYSIQ-YOEHRIQHSA-N 424.523 1.831 30 10 HDEE C[C@@H](CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 810289404 AKOQLAFEEMTPSS-ZDUSSCGKSA-N 410.496 1.256 30 10 HDEE C#CCSCCNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 810428540 FJOFORDADJFJPX-YRYYUTHUSA-N 420.534 1.948 30 10 HDEE COc1cc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1C#N 810869197 BLGOJNCTGDZODB-CYBMUJFWSA-N 412.471 1.700 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 810982513 SAUOQQGKMUWSTE-KRWDZBQOSA-N 417.487 1.017 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2c3c(nn2C)CCCC3)ccc1F 812557159 PBOVOVIHMZADAH-UHFFFAOYSA-N 406.483 1.832 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1127529517 DYIJTTUYHNHRHT-LSDHHAIUSA-N 416.544 1.456 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)N1CCCC1 1134411047 BJUAWEXNRRMSBC-UHFFFAOYSA-N 400.298 1.405 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1135509359 QFQVFPRVCORBRU-ZDUSSCGKSA-N 409.327 1.281 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)N1CCN(c2ccccc2)CC1 1146246775 FOHMRIHNIXYLJH-UHFFFAOYSA-N 413.518 1.919 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C1CCOCC1 1148194265 KSJGQMNYEOIVHO-NSHDSACASA-N 421.338 1.334 30 10 HDEE CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1157886086 YRIDCNFOLRMMDX-ABSDTBQOSA-N 419.503 1.334 30 10 HDEE Cc1ccc(C[C@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1C 1160896896 SWGYPASHDCODIM-LJQANCHMSA-N 415.515 1.747 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCOC(C)(C)C1 1194802549 NZDHYBJPFBRXTJ-UHFFFAOYSA-N 415.556 1.677 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)C1CCOCC1 1207978580 RITXEFHZFNRLNR-UULLZXFKSA-N 406.508 1.951 30 10 HDEE C=CC(C)(C)CCNC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1253519584 LVRCAHJVQIKQHQ-UHFFFAOYSA-N 400.467 1.749 30 10 HDEE CO[C@@H]1COCC[C@H]1CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1264645023 KSQIMRFZQMBZKA-OYSJTAOWSA-N 409.508 1.880 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286359963 ADLMUOPXRYCLGP-UGSOOPFHSA-N 409.512 1.075 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1286393348 KHZRUPUXWKHMSI-SFHVURJKSA-N 414.531 1.645 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1286445176 HCBAKPNOMMUFAM-INIZCTEOSA-N 418.542 1.988 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1286452374 NHIPTMXCPYCDRI-UHFFFAOYSA-N 410.457 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)N(C)CC)CC1 1286489112 GFISBGZVEKIOMI-UHFFFAOYSA-N 408.506 1.389 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286609076 HDLBLDMFYKJNBU-MOPGFXCFSA-N 410.522 1.819 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NCC)CC1 1286638263 XTBNBANATOPHIJ-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286757636 SIRMOEATZLPKKZ-IRXDYDNUSA-N 409.556 1.980 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1286803417 HGYVEEKQFKCGIL-LXGFNABISA-N 422.526 1.251 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1286819542 NLYPQWUHOXPKDG-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC[C@H]1C 1286823777 QXSKLAQSXZJXIL-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@H]1CCCO1 1288079058 GYKWBESPAFYTCU-QGZVFWFLSA-N 404.515 1.742 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1288513937 JJXCMHKKYFWOCM-GFCCVEGCSA-N 411.919 1.671 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)cs1 1290408983 OTFBTZIJMMIRSQ-YJYMSZOUSA-N 402.524 1.914 30 10 HDEE N#C[C@]1(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCOC1 1291598208 ZIGWBCGTJNFNPI-QFBILLFUSA-N 407.492 1.080 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1 1298365933 FRNKYBXICLWPHG-AERCQKQUSA-N 424.526 1.739 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1300285191 XZIWYLGDZSDMNQ-BXTJHSDWSA-N 418.519 1.346 30 10 HDEE C#CCN(C)c1nnc(COCC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1300474971 ADFHVDSGCBOHRL-IKGGRYGDSA-N 419.526 1.908 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1 1300505496 BMGSQBFOSXDZMK-UHFFFAOYSA-N 401.430 1.450 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1 1300506594 VVMQFUUPYINKBK-UHFFFAOYSA-N 407.474 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CSCCS1 1300527123 BTAUPWNAGATZFS-CQSZACIVSA-N 415.544 1.927 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1300579365 UJYBJRFHQVHGCF-IPMKNSEASA-N 418.563 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCCCC1 1300650975 XIWXJCGDRPYWPG-UHFFFAOYSA-N 412.494 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN(C)C(C)C)CC1 1300725927 GQLORSPMETUQGM-UHFFFAOYSA-N 423.565 1.570 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1300877782 ZSUOGXBJLIUSHH-NUJGCVRESA-N 423.477 1.635 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300905853 WVHKNVPMBUJSKE-HXUWFJFHSA-N 415.519 1.769 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1300999617 FCYRWEWEXCFLOS-QGZVFWFLSA-N 424.505 1.988 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(=O)NCC)CCC2)CC1 1301066476 PZVZRAVOMIJPQN-OAHLLOKOSA-N 424.571 1.351 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(C)(=O)=O 1301186121 QXKIHOKKWQPKKX-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3CCOC[C@H]3C2)cc1 1301528663 FLQVXLNWCKMPBD-LJQANCHMSA-N 413.522 1.949 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1301579595 XJNGWPNHVKRMNH-AWEZNQCLSA-N 422.511 1.151 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1301595040 MBKZCIFQBMSGQX-GJZGRUSLSA-N 417.601 1.669 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cnnn1 1301976322 ZDKXAVJORIKFDK-ZDUSSCGKSA-N 401.425 1.820 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1C1CCCC1 1303540707 SWKSZIUKPXFXCD-INIZCTEOSA-N 404.536 1.967 30 10 HDEE O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1308062829 WLXTWMDHNAGLSI-GUDVDZBRSA-N 423.513 1.418 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)C1 1311469754 FHPAERWTKBTQSF-IBGZPJMESA-N 406.552 1.411 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1311718096 UKZCPPBFADGFIA-UHOSZYNNSA-N 423.535 1.677 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 1312790232 WRUUJVDCVHNJEZ-KRWDZBQOSA-N 406.552 1.569 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1315630536 AFGKZTCDMHIVMN-LUQKVYGDSA-N 413.478 1.146 30 10 HDEE CO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316324502 AIUPSGIPABGWNX-SCYHOBCLSA-N 416.482 1.271 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316339614 POYMRCMHGQCSAA-BBRMVZONSA-N 405.480 1.308 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 1323729882 PJEJHDQEBJSVGV-AWEZNQCLSA-N 404.510 1.422 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1358886904 MLAJVAAEDHTRBY-PBHICJAKSA-N 410.478 1.126 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1358962530 RIUROPCTVOICLT-HNNXBMFYSA-N 405.911 1.879 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 1358994568 QGDBEDGBKAFCLI-RTBURBONSA-N 417.579 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@H]1OC 1358997326 OGGWCCUHCVGMJQ-WOJBJXKFSA-N 410.522 1.654 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1359007578 NTDROXNCWLRAAX-HNNXBMFYSA-N 400.483 1.186 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1359028886 IDVKSDUXWOEHNA-RBUKOAKNSA-N 410.570 1.949 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cnn(C)c2C)CC1 1359042514 JMPQTUUECDPBOT-UHFFFAOYSA-N 421.505 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCOC2)CC1 1359046563 WVDKBXPDOVKPRH-LJQANCHMSA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1359054726 FEKCLFKWZTVIQJ-DLBZAZTESA-N 400.508 1.486 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359221724 LOXVJMYFFVMAMR-QGZVFWFLSA-N 401.515 1.186 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1359240691 VLEYOVJCUPDMIM-QGZVFWFLSA-N 423.514 1.615 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1359304809 KGYLZLAPHVPFHC-SJLPKXTDSA-N 402.543 1.570 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1359341266 QRCGIDWOXOPLET-SFHVURJKSA-N 417.583 1.899 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1438759373 DWVZKTPSGOAYCM-MRXNPFEDSA-N 408.549 1.728 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(NC(=O)N(C)C)CC2)ccc1F 1449960264 UMIVPNRUJGSNOF-UHFFFAOYSA-N 412.487 1.166 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cs1 1452563359 JYKWYHBDXGFPMX-AWEZNQCLSA-N 408.505 1.266 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1453966754 VHVRTWBIXSYVOC-AEFFLSMTSA-N 404.511 1.999 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(CC#N)n2)c1 1455177245 MHFHQNHHLGFZKA-UHFFFAOYSA-N 408.867 1.978 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1460221957 KMEWXYNXALKLRX-APWZRJJASA-N 402.451 1.727 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N(C)C[C@@H](O)c1cccc(C#N)c1 1460356287 OTCJISFQGBTUGW-VGOFRKELSA-N 408.502 1.966 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)c1 1462862668 UYIKQOAHVIXMIK-UHFFFAOYSA-N 418.496 1.356 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]1CS(=O)(=O)C2 1463163163 LBURBPDTTBJYFR-MGPLVRAMSA-N 413.286 1.580 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCNc2ncccc2C#N)C1 1464504064 DNHPFLBTFZKNFQ-QRWLVFNGSA-N 403.483 1.896 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC3(CCOCC3)CC2)s1 1467332178 UJJMQHPPVZDNSL-UHFFFAOYSA-N 414.549 1.553 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nn1C1CCOCC1 1467707477 OJWBTHFKEUZZAW-IBGZPJMESA-N 407.474 1.946 30 10 HDEE N#Cc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)ccn1 1467723497 ZVOTYEBIGNMITP-UHFFFAOYSA-N 423.292 1.701 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc21 1468539995 DOMJFXUNBPFUIS-QGZVFWFLSA-N 420.473 1.864 30 10 HDEE C#CCONC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1470044218 JLALBWCMHRTDCC-IBGZPJMESA-N 407.426 1.450 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3cccc(OCC(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1470070606 VZLMQXQDNHOUSM-NHYWBVRUSA-N 418.397 1.102 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1470671535 HJVCILIWQXTOOR-LJQANCHMSA-N 419.551 1.246 30 10 HDEE C=CCCOCC(=O)N1CCN(c2ncc(I)cn2)CC1 1470935754 SICMIUZZQLWISA-UHFFFAOYSA-N 402.236 1.323 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(C(=O)N3CCC(C(N)=O)CC3)CC1)C2 1471145615 VBNABVMLLSMNPL-FQEVSTJZSA-N 423.517 1.171 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@]2(C)CCCc3ccccc32)CC1 1478363373 CRNRKAPDFWXAPD-FQEVSTJZSA-N 404.536 1.075 30 10 HDEE CCc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499067123 CHOUTZVGWPMCRA-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1503285346 QPGWUXPJLBLOCF-MAUKXSAKSA-N 410.544 1.241 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 1503416679 WFMCHJZMNKGDJG-CQSZACIVSA-N 408.384 1.720 30 10 HDEE CNC(=O)CCn1c(CC2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1503816529 BKLZOQVBOXTJHE-UHFFFAOYSA-N 421.549 1.951 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccn(C)n2)cc1 1504230268 CSIOMSSGPPEBFS-FQEVSTJZSA-N 421.505 1.777 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CSCCS1 1504886296 GKOUKMJXERKPPJ-CQSZACIVSA-N 405.553 1.950 30 10 HDEE C#CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507578781 AYWPWOXADQXDFE-MOPGFXCFSA-N 420.517 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN1CCCC(C)(C)C1 1507673586 WROBHFAIABFCON-UHFFFAOYSA-N 410.566 1.985 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCN1CCOC(C)(C)C1 1507709303 UYURBWIWZXWFBI-UHFFFAOYSA-N 400.527 1.480 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCSC2(C)C)CC1 1507728241 WFTKUCOQCDSTNA-KRWDZBQOSA-N 416.595 1.687 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSCC)CC1 1507737574 CCJYEEPZYOMFBE-INIZCTEOSA-N 418.567 1.338 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC 1507770238 RCYMJOVIAFBXPS-LJQANCHMSA-N 404.540 1.567 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1507821102 UILJYBZDKHYADA-LYGPFTKASA-N 412.556 1.513 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1508004832 QKCOHOMLFGPVMK-GOSISDBHSA-N 408.506 1.948 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508072321 HSXVJTWHKWXJIL-SJLPKXTDSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](COC)C1 1508089545 XXCVDDSAYIFRRP-CQSZACIVSA-N 416.482 1.171 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2C)CC1 1508219328 FQEKRTYPFRQETD-UHFFFAOYSA-N 418.505 1.966 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(C)(=O)=O 1508423078 HWQDWTACIXLJAG-CQSZACIVSA-N 400.508 1.991 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCCO1 1512418591 GMEMRLYXOMMOQY-DOTOQJQBSA-N 415.519 1.867 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1515395348 TVQKINZSPJDWJO-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@H](C(N)=O)[C@H](c4ccccc4)C3)CC2)o1 1529023393 AXPDCRBROZOKQC-ZWKOTPCHSA-N 407.474 1.799 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1539071598 CLUSVHQOQZNDEQ-SFHVURJKSA-N 414.554 1.376 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1539256906 KZMNQOPTJKPNJL-SFHVURJKSA-N 401.474 1.814 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCC[C@@H]2C)CC1 1539475694 MSFNPTSEOATROE-SFHVURJKSA-N 423.565 1.734 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@H]1C(=O)OC 1539726742 PKYAKAFOIOUPCH-HZPDHXFCSA-N 412.398 1.764 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539884003 AHRBDNNUNHIKPJ-PKOBYXMFSA-N 415.586 1.658 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC(C)(C)OC[C@@H]1C 1540861958 MZUHEFBPQMGPJS-AWEZNQCLSA-N 406.531 1.502 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1540871853 VLRSFRCIZXHXPJ-PKOBYXMFSA-N 411.506 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1540897414 IKZWAMVLECKHHD-JKSUJKDBSA-N 423.583 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1540907223 PEGTXVHSFZRATK-DZFIZOCASA-N 418.567 1.975 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541150358 GASJUHXWRSJMEX-AVCMKVNGSA-N 401.446 1.544 30 10 HDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CCOC1 1554713467 DEGJYJNVUPRWBK-NRFANRHFSA-N 407.478 1.955 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@@H]2CO)CCO1 1555994660 YHSXROCNGQSGMP-QZTJIDSGSA-N 411.510 1.306 30 10 HDEE CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 1557260429 GUOLEZFDXYOBGT-YJBOKZPZSA-N 407.536 1.919 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1(CNC(=O)OC(C)(C)C)CC(O)C1 1557386420 UDJLFKGWPIGZAM-BATSVXPKSA-N 403.479 1.716 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 1558072656 AGQPPCOBJCRBBE-UHFFFAOYSA-N 422.507 1.259 30 10 HDEE Cc1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1S(=O)(=O)N(C)C 1558559819 BZPLHAPOTKLHME-ZCXUNETKSA-N 406.464 1.100 30 10 HDEE C[C@H]1CN(Cc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)C[C@H](C)O1 1558805903 YCNNKUUUMWQSFD-GJZGRUSLSA-N 423.473 1.127 30 10 HDEE C#CCN(CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C)cc21)C(=O)OC(C)(C)C 1565707757 IKQBUBODVDNUDC-UHFFFAOYSA-N 421.519 1.696 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1585693175 OKTQZOOARCMFMA-PNNDDZTBSA-N 400.519 1.822 30 10 HDEE N#Cc1cn(CC(=O)NC[C@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1585789792 QJYMXEFEHWEZQN-SFHVURJKSA-N 407.474 1.239 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCN(CC(C)(C)O)C3)ccc2c1=O 1586992289 SQDJJYSZSSQDLL-AWEZNQCLSA-N 402.520 1.446 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1587842280 OOSKXXBRGFIZFR-HNNXBMFYSA-N 409.498 1.667 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1588113108 HLHRZOQLSBUZPN-GOSISDBHSA-N 410.474 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](COC)C1 1595784045 AMRYTZMBPVVOTP-MRXNPFEDSA-N 422.555 1.532 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1595930163 CGDZUOATTGAJNB-SJORKVTESA-N 422.526 1.860 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](CNC(N)=O)C2)C1 1596033021 YJTVUNPCZNFMTD-LBPRGKRZSA-N 420.311 1.664 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N[C@@H](CC#N)C(F)(F)F 1596784300 YOOKMFYDQUBEKC-RYUDHWBXSA-N 406.405 1.853 30 10 HDEE N#Cc1cn(CC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)c(=O)nc1O 1598154462 COBHNYSFQVWMMA-UHFFFAOYSA-N 407.474 1.434 30 10 HDEE C#CCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1598458170 XYPHCCFETHHGNT-DKTYTTGXSA-N 400.523 1.941 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)c2cc(F)ccc2F)cc1S(=O)(=O)NCC#N 1607443626 HGSIKAYONUSHQE-INIZCTEOSA-N 409.414 1.539 30 10 HDEE CCCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1614980378 ZHQJBGTYKYAZMF-UHFFFAOYSA-N 420.477 1.345 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1618794241 CLQGTTCIJHQUIQ-QFBILLFUSA-N 423.521 1.110 30 10 HDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1619676196 NSIXUDDAKKSWHS-ZDUSSCGKSA-N 410.438 1.704 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOC(C)(C)C 1619912838 NPCHIFGRTZIVNP-OAHLLOKOSA-N 413.544 1.362 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1620349130 GIYQPJQIDFZEFN-QZTJIDSGSA-N 410.478 1.324 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1624503948 OBCSOXSXHAFNCX-QVKFZJNVSA-N 414.462 1.986 30 10 HDEE N#CCn1cc(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)cn1 1625845075 GUBAYXZHJDFWLL-UHFFFAOYSA-N 411.443 1.843 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nnc(O)n1C 1627936025 MTTKVRVIYCLMCH-SECBINFHSA-N 405.256 1.468 30 10 HDEE C#CCN(C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C)C1CC1 1628162462 YATPOHPWMBZBHA-UHFFFAOYSA-N 402.499 1.981 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN([C@H]4CCOC4=O)CC3)n[nH]2)c1C 1631262901 ZGLNXKSLJFYGLE-SFHVURJKSA-N 412.494 1.586 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 1632136585 VOWJXBZICXEDEZ-BMFZPTHFSA-N 421.519 1.852 30 10 HDEE N#C[C@@H](NC(=O)C1=NN(CCO)C(=O)CC1)c1ccc(OCc2ccccc2)cc1 1632344935 CYIXEHAMYFXVPS-HXUWFJFHSA-N 406.442 1.917 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2O)C(=O)OC)c1 1633488190 DWSGVKWYEWPNEE-SFHVURJKSA-N 415.467 1.703 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCC[C@H]3CNS(C)(=O)=O)n[nH]2)c1C 1633670770 WUFILDVHAJIKCF-LSDHHAIUSA-N 420.539 1.524 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)c1 1635175907 ZPQZIYWYUMSLRX-HXUWFJFHSA-N 413.499 1.393 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)N1CCCC1 1635179506 HMUDYWAOKXVFJN-ANZKDXPISA-N 404.511 1.900 30 10 HDEE N#Cc1cnc(NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c([N+](=O)[O-])c1 1639192196 YQCXVAAAVJGXDP-UHFFFAOYSA-N 403.420 1.494 30 10 HDEE CC(C)c1n[nH]c(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1641366322 BAEMTLAASMXMOF-UHFFFAOYSA-N 416.507 1.517 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2coc(S(C)(=O)=O)c2)c(=O)c1C#N 1641514061 VJPVQUSYFFNNMV-UHFFFAOYSA-N 414.237 1.480 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 1642606585 ITWDWHGOHAZEBQ-HTAPYJJXSA-N 403.442 1.606 30 10 HDEE C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785548 SBQANVCJDIPOLS-ZOCZFRKYSA-N 422.526 1.318 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1643330126 IFMBZSZENDAVNZ-UONOGXRCSA-N 414.487 1.544 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1653056400 BSIQAZRBMGWFJP-YWMAMYRUSA-N 406.483 1.666 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCCN1CCN(C)CC1)c1ccc(Br)cc1 1655458615 CGUHDODZHDRXNQ-QGZVFWFLSA-N 414.369 1.680 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NCc1nnc2n1CC[C@@H](C(F)(F)F)C2 1664197915 ABYJSRMIFNJMRO-SECBINFHSA-N 403.361 1.892 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCC2(C#N)CCOCC2)c(OC)c1 1666688104 HQZDCIYKQHDMCV-UHFFFAOYSA-N 417.509 1.055 30 10 HDEE CCOC(=O)c1c(NC(=O)N(C)C2CCN(OC)CC2)c(C#N)cn1CCOC 1668605509 DZXBDVZHQDVTSY-UHFFFAOYSA-N 407.471 1.672 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c2OC(C)(C)CC3)CC1 1673309200 GSPUOZHNUXFKJA-UHFFFAOYSA-N 406.508 1.407 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1675450687 PNTWZBWLWRFACC-SFTDATJTSA-N 406.486 1.699 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CC1 1684887601 NMKQZFIUPPEFNT-UHFFFAOYSA-N 412.425 1.326 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccco2)c1 1689870196 FGFPMZLULLUWPR-GOSISDBHSA-N 418.457 1.927 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN(C)CCOC 1689964251 JKDZOBUMTRHFMC-UHFFFAOYSA-N 412.542 1.100 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1690015429 MJYUJICXBCLMDK-LJQANCHMSA-N 418.501 1.187 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@@H](C)CC 1690043753 MRHBFYCZGNHDHP-INIZCTEOSA-N 424.505 1.774 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1690068111 YMNHIGAXSUOAPF-DLBZAZTESA-N 400.479 1.962 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1 1690154990 CBOVNDKVFFXYFL-LSDHHAIUSA-N 415.585 1.118 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H](C)CN1CCOCC1 1690192531 BCUUJIGDRUAVOA-XQBPLPMBSA-N 419.570 1.963 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690667817 JGZALJQQKRZBHA-UHFFFAOYSA-N 418.461 1.121 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(c2nc(C)no2)CC1 1690670950 MKVAUJUHEDITHI-MRXNPFEDSA-N 415.498 1.897 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C1CC1 1690729348 MRGIDQUFFOJUEL-UHFFFAOYSA-N 401.492 1.928 30 10 HDEE CC(C)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1692808306 ZFECKYVPLIYXFW-CJNGLKHVSA-N 422.511 1.262 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1696618566 FCPGCXJGXOIEAV-UHFFFAOYSA-N 411.510 1.097 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1698117783 LJLPNHCXDMDNPQ-IERDGZPVSA-N 415.494 1.662 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1705531290 FECUBYOTDOUFQL-HNNXBMFYSA-N 421.505 1.788 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1705549618 BXJSSAZGOMDNSZ-MRXNPFEDSA-N 405.506 1.603 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1705612348 FJUMFHMTOQSQAQ-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1705615040 FTBRGDXAGFKXAM-UHFFFAOYSA-N 404.474 1.636 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1705616820 ORMAKVQTYUQRMJ-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1705676233 SUQGZJHTEUXINZ-HXUWFJFHSA-N 414.535 1.485 30 10 HDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705681145 OBYXKELLMLRBGA-UHFFFAOYSA-N 411.304 1.831 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705734059 BUKKBNDIYRPXCJ-GOSISDBHSA-N 415.542 1.430 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1705880222 YPFIHUPODPVVIT-QGZVFWFLSA-N 423.539 1.849 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1706743397 JILJIEXJGMNDEV-LBPRGKRZSA-N 413.873 1.885 30 10 HDEE C[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1706792087 GCPSTZICNSTZCZ-XCLFUZPHSA-N 410.457 1.986 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 1708152667 QJJNJZGWRIQNQV-VQIMIIECSA-N 424.505 1.965 30 10 HDEE CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1709982027 PPPWTGVCRRRTPU-HMWBCQRISA-N 415.498 1.238 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C[C@@H]1C 1712476793 AULMPGXVOCEUIX-QFBILLFUSA-N 416.501 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC(O)CC1 1722400843 BAPRMZSMOFUPHV-UHFFFAOYSA-N 423.565 1.449 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN(C)CC(F)(F)F 1722466401 TWWXJVQVPFVOPC-QGZVFWFLSA-N 400.449 1.903 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1722658006 RPVDLRLFLVALGC-JOCHJYFZSA-N 407.522 1.938 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CCN1CCCS1(=O)=O 1722677430 DZJGGABKACAROU-UHFFFAOYSA-N 406.512 1.014 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC[C@H](CO)O2)C1 1722720922 PDFIRCHCHZHPAF-OKZBNKHCSA-N 419.551 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1722732071 ULLYKDUUKSDTOK-UWVAXJGDSA-N 424.567 1.910 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1728640999 BDCSINBPJIMUGU-CALCHBBNSA-N 410.478 1.541 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1730917860 XXGGGLVHRDHGID-OAHLLOKOSA-N 409.450 1.737 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C(N)=O)nc1 1730931770 BMKPIXBHXUSTQL-QRTARXTBSA-N 413.482 1.140 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1C 1740531116 FUHGZAMINGVESA-CYBMUJFWSA-N 412.885 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1740547106 OKMIULLPUYCYII-AWEZNQCLSA-N 412.523 1.478 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740552177 NNIFGZAGSZSGKO-AZUAARDMSA-N 423.565 1.825 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CC1(C(N)=O)CCOCC1 1740682828 KSNZGQDGXOPWBS-UHFFFAOYSA-N 415.469 1.452 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740900653 VUQNUJLGVHBVEK-MWDXBVQZSA-N 409.556 1.669 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC2CCOCC2)CC1 1748032310 OUHBCQCFHLDBNU-JRHPMUGDSA-N 400.519 1.679 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1c(C)noc1C 1748266420 FAOWGYGYEKMYSH-UHFFFAOYSA-N 423.477 1.954 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1748826473 UHGFKFFVEVCVCH-ROUUACIJSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H](F)COC 1748901270 VQYROXCJULLFNX-HNNXBMFYSA-N 403.483 1.717 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749659803 JQQPHCQWFOLRFF-UYAOXDASSA-N 424.549 1.794 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1749756213 UUQHZLJOYBWLMQ-CVEARBPZSA-N 414.597 1.961 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1750079351 PRZCHLDBEWDWBO-LZJOCLMNSA-N 416.526 1.725 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1750483735 FDELTSAWJSDHCE-UHFFFAOYSA-N 419.493 1.538 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@]2(O)CCN(C)C2)c1 1760128504 JYPARWNDYCRKGP-QFIPXVFZSA-N 408.506 1.278 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1760138480 ZITZIKJZYUBPMD-PXNSSMCTSA-N 406.552 1.991 30 10 HDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](C(N)=O)C1 1760146170 DZXWPVSWMCXUGJ-GFCCVEGCSA-N 405.300 1.771 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760191182 CFQXOGPUZASEOI-GVDBMIGSSA-N 420.514 1.297 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760279514 BBXCMYYWLHPDPG-HUUCEWRRSA-N 415.523 1.671 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1764920070 UPMORHJXJCZRGP-QZTJIDSGSA-N 411.510 1.485 30 10 HDEE COC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769487430 ULGVKDKDNSTOIB-UONOGXRCSA-N 400.439 1.572 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1769738123 PHDJTVOWOLLOPH-UHFFFAOYSA-N 406.446 1.951 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2)CCO1 1770746205 ARUSSTUKCFIBGY-QGZVFWFLSA-N 424.509 1.530 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@@H](COC)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1771176861 WRLUZVUGIVVMBL-RKVPGOIHSA-N 419.482 1.755 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccccc1F)C(C)C)[C@H]1CCN(C)C1=O 1848930571 BEFMAVPYMAXTFW-DOTOQJQBSA-N 411.499 1.374 30 10 HDEE C=CCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2cccc(C)c2)CC1 1850857162 RFIZCXNPMLPUEB-SFHVURJKSA-N 411.593 1.725 30 10 HDEE CN(C)S(=O)(=O)CCC(=O)N1CCCc2nc(C#N)cc(Br)c21 1850901110 LKGDNCHJUIXQHI-UHFFFAOYSA-N 401.286 1.276 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCc1ccc(C#N)cc1 1851196042 LPHXSDVLBMQKSL-GOSISDBHSA-N 400.504 1.980 30 10 HDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3C(=O)Cc4ccc(C#N)cc43)cnc21 1852158623 NEHYYOUBANLPNH-UHFFFAOYSA-N 404.430 1.726 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2cc(C(=O)OC)ccc2N2CCSCC2)CC1=O 1852864747 HAQZZNYBLVBKJP-HNNXBMFYSA-N 403.504 1.999 30 10 HDEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)cs1 1853695097 ZUWPYTMEXDWHHO-IBGZPJMESA-N 409.515 1.882 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)CCc3ccccc3)CC2=O)cc1 1854026204 WHSCNVYLOPZNKI-UHFFFAOYSA-N 411.483 1.344 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCC(Oc4ncccn4)CC3)C2=O)ccn1 1854028239 XIHPFGLXDYLGBH-GOSISDBHSA-N 406.446 1.418 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCSc4ccc(F)cc43)C2=O)CC1=O 1854207954 RFFXSKZJNPXHLS-DZGCQCFKSA-N 403.479 1.900 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccccc2-n2cccc2)C1=O 1854283170 XZIVFYFFDGIGDJ-WOJBJXKFSA-N 406.486 1.937 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854797988 BNNLZAZIORBRIR-SFHVURJKSA-N 408.462 1.280 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)c3cnc4scc(C)n4c3=O)C2)CC1 1855007927 SJRRSHVICGNOFR-HNNXBMFYSA-N 400.504 1.951 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855204566 HHRNHSCLWJMNTA-OALUTQOASA-N 417.550 1.821 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)c2ccccc21 1855703114 OJCHFFRSTIZZJG-UHFFFAOYSA-N 403.460 1.426 30 10 HDEE COc1cc(-c2cc(C(=O)N3CCN(CCC#N)CC3=O)no2)cc(OC)c1OC 1856031658 DIRUNVHRUBDUPX-UHFFFAOYSA-N 414.418 1.565 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccncc2)C(=O)C12CCCC2 1856257789 JMXVZQPPEIAHGM-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE C=CCN1c2ccccc2N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C[C@H]1C 1856376473 SNIXNPDEEPHMGJ-CQSZACIVSA-N 403.504 1.755 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(N(C)C)ccn2)C1)[C@H]1CCN(C)C1=O 1857046449 SFBWJWAWWKOFQO-APWZRJJASA-N 413.522 1.245 30 10 HDEE Cc1nc2ccccc2n1C1CN([C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1857108391 RKEVPPYYNVNXOM-HXUWFJFHSA-N 400.442 1.909 30 10 HDEE CN(C)CC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC(CC#N)CC3)ccc21 1857457325 LQPQHTVBTGGMMA-UHFFFAOYSA-N 418.519 1.368 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858325022 VPFWMCNTTSMHED-GOSISDBHSA-N 419.528 1.749 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1C[C@@H](C)O 1870543541 ACGRPDMDZOAUTO-IEBWSBKVSA-N 419.522 1.077 30 10 HDEE O=S(=O)(NCC#CCN1CCOCC1)c1cc(F)c(Br)cc1F 1890668201 XKZUQNXHIDLCBL-UHFFFAOYSA-N 409.252 1.341 30 10 HDEE CCS(=O)(=O)CCNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1890710335 LFLPCMMASIERGY-MSOLQXFVSA-N 423.560 1.503 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1960393369 DNJJFKVVYRPRHJ-QKPAOTATSA-N 410.515 1.848 30 10 HDEE COC[C@H](C)NC(=NC[C@H]1CCC2(COC2)O1)N1CCN(c2cccc(F)n2)CC1 2087918045 NSTJCIKZBMGVSD-DLBZAZTESA-N 421.517 1.271 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174789514 RHOMECMTSLDRBB-KFWWJZLASA-N 402.517 1.127 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174789683 TYMHOBAFJVIEMG-KRWDZBQOSA-N 404.508 1.796 30 10 HDEE COC[C@@H](C)S(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186599268 HHZOXBJVWHCCDP-NEPJUHHUSA-N 404.363 1.800 30 10 HDEE CC1(C)OB(c2cccc(C(=O)NCCn3ncc(Br)n3)c2)OC1(C)C 2199701458 BQWICFHOFJUUMA-UHFFFAOYSA-N 421.104 1.770 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828305 NFXYAKNOLCMZMB-CHWSQXEVSA-N 420.319 1.600 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247830317 YGDAOZDTYPLLGH-UHFFFAOYSA-N 420.319 1.742 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)n1 2247913620 YOLOREVJFNOIFL-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE Cn1nc(Br)cc1S(=O)(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251301021 YUIGLVIANLHLFL-VOTSOKGWSA-N 406.111 1.649 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)Nc2nnc(SCC(=O)O)s2)C1 2281240494 XVZRIAPYFIDTDM-UHFFFAOYSA-N 412.493 1.960 30 10 HDEE CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281968805 GFKZAHIRXXEKHJ-NQBHXWOUSA-N 400.737 1.935 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NC[C@@H]2CCCCS2(=O)=O)OC1(C)C 2282019464 MBWSFJFATCVLJL-NSHDSACASA-N 400.331 1.139 30 10 HDEE Cc1cc(C(=O)NCCS(=O)(=O)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282124205 GDCOFBZMTIODRH-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CN(C)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282316665 GKPSGEPRPAALDM-QWHCGFSZSA-N 400.375 1.584 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@@H](N)C1 2282320076 CMSMTQJOIRKGBW-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336607 GFUCWLKMZDSYGO-CQSZACIVSA-N 402.391 1.912 30 10 HDEE CSC[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282336634 ALPJDWMFEUHMPL-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE CC[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282336805 HETYXPCSRCGRSR-QWHCGFSZSA-N 400.375 1.856 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@](C)(O)C2)c1B1OC(C)(C)C(C)(C)O1 2282417428 HXSOUFRLYMCJQL-QGZVFWFLSA-N 401.359 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@H]3CN)ccc2Cl)OC1(C)C 2282498077 YNLGNMOMVMUUMW-XHDPSFHLSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CCC(O)CC2)OC1(C)C 2282499491 CVDVJAPBMXSUJY-UHFFFAOYSA-N 402.347 1.165 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N1C 2282501592 ZCKIZUOPMJQUFO-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)O1 2282834276 RILPQVALNWHCOX-UTUOFQBUSA-N 402.347 1.428 30 10 HDEE CCCN(C1CNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834288 RPLMLLQYGLHAQK-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNCC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836495 KUPICMCOJACSNI-LBPRGKRZSA-N 400.375 1.632 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cscc1Cl 2282840147 DJHLFKJEBCTLBY-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC[C@H](CCCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840346 MUCDFJSTDIHCKV-GFCCVEGCSA-N 404.363 1.413 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2COC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282871323 FFWRZOMVIAKYIG-GXFFZTMASA-N 401.359 1.977 30 10 HDEE C#CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2316822503 RCEZAEPJLKDJIK-INIZCTEOSA-N 406.460 1.239 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363540575 ZHSYOGKLNNUCJN-KSSFIOAISA-N 413.565 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211359 NNBOFTZIZBYFPK-AUUYWEPGSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2(N)C#CC(C)(C)S(C)(=O)=O 2365254685 QGXQLRWYSBUQDA-WWMCIYDGSA-N 400.541 1.460 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367784510 PCFCOFLKWZLJML-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COCCN1C(=O)OC(C)(C)C 2367800900 NNVUYQUWOGOYCU-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CS[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2381820548 RXIIDBWAVVPZJY-CHWSQXEVSA-N 401.363 1.234 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 8221348 POGHHDUAPIJTLG-ZAWGXVLFSA-N 410.507 1.248 30 10 HDEE in-vitro C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(F)cc(F)c21 13791924 NAYTZNXODLPRIT-PLYKVXEXSA-N 413.471 1.713 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cccs3)n2N)cc1 21317898 DOHCPULWWOCTAT-KEBDBYFISA-N 417.520 1.917 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 22813047 GSCWVMIKUZINQN-UHFFFAOYSA-N 422.913 1.360 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)CC1 57802617 QHQJYACHOVOXQU-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE COC(=O)c1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1 102597217 PMDPENFTUGMOIM-FXBHHXAOSA-N 415.398 1.497 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440376743 BKNXRBOGUWCZDQ-MRXNPFEDSA-N 411.483 1.672 30 10 HDEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)NCC2CCN(CC#N)CC2)cc1 464971433 IFODIXDHDSZPFF-UHFFFAOYSA-N 406.552 1.830 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 469073460 SBFKFIUNEYUGMX-UHFFFAOYSA-N 401.492 2.375 30 10 HDEE CN(C)C(=O)CCN1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 473050374 MPTLAZXAIQINSR-UHFFFAOYSA-N 405.930 1.683 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481235213 RENBPVKUBSKMAX-OAHLLOKOSA-N 420.535 1.332 30 10 HDEE N#C[C@H](NC(=O)C1CCN(S(N)(=O)=O)CC1)c1ccc(Br)cc1 499387302 HKAXWPSQYVUNMB-ZDUSSCGKSA-N 401.286 1.045 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 503623616 FJLCXKACWNVRNI-ZDUSSCGKSA-N 419.279 1.386 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCC(=O)OCC)cc2)CC1 504692889 XHMFQYGSODMGQZ-UHFFFAOYSA-N 404.467 1.080 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 506588540 LYWOCTFUYPFUIF-SJLPKXTDSA-N 415.519 1.911 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCN(CCOC)C(=O)C1 516559359 RUNXJVZVQNWULB-UHFFFAOYSA-N 423.477 1.465 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)C1=O 546064056 XTOQHYHPQSGWKV-ZDUSSCGKSA-N 411.505 1.643 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(COC)(C(=O)OCC)CC1 549275565 CEXQRKCKHODHBJ-UHFFFAOYSA-N 407.515 1.789 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Nc2cccnn2)CC1 549691091 VBJWEENTGIFBNV-UHFFFAOYSA-N 419.493 2.372 30 10 HDEE C=CCNC(=O)c1ccccc1NCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 564595537 LZOXRDXTYFTPNM-MRXNPFEDSA-N 407.536 1.686 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 566331897 WLUVODOBLODWJS-UKRRQHHQSA-N 423.543 1.615 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)n1 576167377 ORHGGQPODHLZCE-UHFFFAOYSA-N 415.540 1.549 30 10 HDEE COCCOc1cccc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 582151223 NOHOGFFCMCLUDV-UHFFFAOYSA-N 403.460 1.178 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 584071094 OPSQCZMDJXXBEJ-ZWKOTPCHSA-N 411.483 1.897 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1 609097450 ZRVVTSYQTHPTBO-UHFFFAOYSA-N 416.478 1.980 30 10 HDEE Cc1nccc(N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n1 612771858 YLGQSHSLEXEZNB-UHFFFAOYSA-N 406.494 1.552 30 10 HDEE N#Cc1cc(N)c(OCC[C@H]2CCS(=O)(=O)C2)c(I)c1 697175233 VOOBSCIATGCZGU-VIFPVBQESA-N 406.245 1.949 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccccc1C#CCCO 707410740 UAMLJMFHRQIIKX-UHFFFAOYSA-N 412.467 1.136 30 10 HDEE CCCN[C@H](CC#CCOC)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 725054732 VWAHBPGHWSTOJO-IAGOWNOFSA-N 402.557 1.819 30 10 HDEE C#CCN(CCN1c2cccc3cccc(c23)S1(=O)=O)[C@H]1CCS(=O)(=O)C1 731213610 HSMIARQZGSLRDA-INIZCTEOSA-N 404.513 1.471 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ncc(Cl)cc1Cl 741339880 CDJATNBQCNSRRB-JQIJEIRASA-N 413.217 1.787 30 10 HDEE C#CCN(Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@@H]1CCS(=O)(=O)C1 744398316 FPANHKREYKBZOX-CQSZACIVSA-N 421.475 1.385 30 10 HDEE COC(=O)c1c(F)ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1F 749168897 WSDCDSLCEXZHRS-UHFFFAOYSA-N 422.413 1.529 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 761725390 BEKBTQKCMKXXOD-WWMYMODYSA-N 411.462 1.362 30 10 HDEE C#CCN(C(=O)NCC1(c2ccccc2C)CCOCC1)[C@H]1CCS(=O)(=O)C1 774196763 VJIOOIQAICRUNF-SFHVURJKSA-N 404.532 1.875 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 780206310 QGLFBNSFOPFWNC-GZRFBZBPSA-N 410.426 1.822 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 780749979 IYGCUUPOKGEDMO-DAXSKMNVSA-N 417.447 1.105 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccccc1CNC(=O)[C@@H](O)c1ccc(C#N)cc1 780908047 NRTAPAOSWXHGFI-SFHVURJKSA-N 401.488 1.985 30 10 HDEE COc1ccc2[nH]c(C(=O)OCC(=O)N3CCN(c4oc(C)nc4C#N)CC3)cc2c1 786353891 BQGSCXOIMBBKOV-UHFFFAOYSA-N 423.429 1.850 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)c(F)c1 791373388 CGDZONDXSCPKHZ-MRXNPFEDSA-N 402.813 1.641 30 10 HDEE COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)c1 791702792 CBHLGNQTPRWYBS-HXUWFJFHSA-N 421.457 1.812 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1C[C@H]1c1cnn(-c2ccccc2)c1 793004035 KGHXXPHGUWKSOT-ZNWLFMFGSA-N 406.446 1.554 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2c(F)cccc2CC)c1=O 794647768 UMMLIBKLOCDETI-INIZCTEOSA-N 424.497 1.743 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1=O 795976294 MREWPPBEMUWUOL-ZDUSSCGKSA-N 404.847 1.673 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798228782 VAXKDUIZLOTNDM-QFIPXVFZSA-N 404.474 1.890 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)S(C)(=O)=O 800783982 QZZBIIXQIZNCOD-UHFFFAOYSA-N 416.511 1.366 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(F)F)C2)cc1 801617041 NDDQLCDAZNQNLQ-MYVXHDQYSA-N 416.450 1.997 30 10 HDEE COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 802488874 CQWQAAUWODGLAL-AWEZNQCLSA-N 406.512 1.438 30 10 HDEE Cc1cc(C(=O)COC(=O)c2cc(C#N)ccn2)c(C)n1[C@H]1CCS(=O)(=O)C1 803847237 AELHMRMYCYJSGB-HNNXBMFYSA-N 401.444 1.771 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1F 805779103 PRGBSEVCVRGURS-CZUORRHYSA-N 416.906 1.723 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1)c1ccc(F)cc1 812933667 JYPOZQJXACGJHM-VQIMIIECSA-N 404.486 1.368 30 10 HDEE C#CCN1C(=O)C[C@@H](N2CC[C@@H](Cc3cccc(I)c3)C2)C1=O 821772096 XUARPCMJFYSUSM-GOEBONIOSA-N 422.266 1.916 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(=O)[nH]c21 918685010 XXRYHODRRIHAFQ-GQCTYLIASA-N 417.473 1.934 30 10 HDEE CN(CCOc1cccc(C#N)c1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192690 QFBCZUGZPUXACH-UHFFFAOYSA-N 402.495 1.948 30 10 HDEE CC(=NNc1nc(SCC(=O)NCCO)n[nH]1)c1ccc(Br)cc1 1084153301 NTMFHBQYTTXXGL-UHFFFAOYSA-N 413.301 1.604 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)ccc1F 1129764962 PJRIJBUJDHQSAL-GOEBONIOSA-N 422.482 1.674 30 10 HDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1130225318 CTJWQMSFWIADKN-QUCCMNQESA-N 402.454 1.611 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(F)cc(I)c2N)CC1 1136862825 CEMNRGDMBUJMBO-UHFFFAOYSA-N 401.223 1.794 30 10 HDEE CN(C)[C@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)COc2ccccc2C1 1138108987 YOCIIGLMDMHTMW-YVHKJVDXSA-N 414.506 1.797 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)s1 1139988506 ACUMOTURBDUDBK-DYVFJYSZSA-N 400.522 1.161 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@H]1[C@H]1CCCO1 1140193031 GKGMTSKBZVHUBK-HRCADAONSA-N 418.498 1.461 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2cnc(I)c(O)c2)nc1 1141486935 JLRKPFYUSUULDA-UHFFFAOYSA-N 409.187 1.500 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1144073403 WDMPRAYQZRJVDM-HNNXBMFYSA-N 408.252 1.157 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 1146978776 QBCATSGVEWEGJX-UHFFFAOYSA-N 407.474 1.723 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)COC1 1153867186 ZIAVICJBRNLSBQ-KGLIPLIRSA-N 424.498 1.545 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(S(=O)(=O)N(C)C)CC3)n[nH]2)c1C 1155513805 OSYKWVAWIKSWHS-UHFFFAOYSA-N 406.512 1.230 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)c(=O)n1CCO 1166714263 PQJKNPDDXZDIJL-UHFFFAOYSA-N 424.501 1.497 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 1177759045 KPTRSEJAFDMLKY-LJQANCHMSA-N 418.563 1.632 30 10 HDEE CC(C)(C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1ccc(C#N)cc1 1179847322 WFWLZVNAIUXMJU-CZDRUDQFSA-N 403.504 1.163 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1180447763 NIYCHTJHNGUSLT-IFXJQAMLSA-N 414.487 1.992 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1258163246 KUQVVDXPZLELDA-UHFFFAOYSA-N 421.500 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1286274289 NFDQJCDYBOWKKQ-ZDUSSCGKSA-N 423.926 1.364 30 10 HDEE C#CCCCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1286359772 JNKONQCQOUZBHP-JXFKEZNVSA-N 416.482 1.613 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@H]2CC)CC1 1286470688 BGKDKVWRFGKGBT-RCCFBDPRSA-N 422.599 1.470 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCNC(=O)C(C)C)CC1 1286494110 RVERBXRBVPFYBT-UHFFFAOYSA-N 416.570 1.605 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1286526417 SEQCZJOMZSRBMU-OXJNMPFZSA-N 401.511 1.794 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](N2CCCC2=O)C1 1286568825 YNJZTDVZEQROQT-UWVAXJGDSA-N 403.527 1.997 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)on2)nnc1[C@@]1(OC(C)C)CCOC1 1286793427 XSDAUCYGQHFTMH-HXUWFJFHSA-N 418.498 1.554 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1286817557 NTGWIDQFXIFRPB-UHFFFAOYSA-N 411.572 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cccs2)CC1 1286821461 MAZMTOIRVHCWRQ-UHFFFAOYSA-N 409.581 1.825 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1291877420 PPJZIAFFIJDCPW-KTKRTIGZSA-N 415.490 1.929 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)C1 1292420726 WPZAOILIOCCKDO-JUFCPRKZSA-N 418.538 1.753 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(CS(N)(=O)=O)c2)c1 1292641845 IZKNWBSCPDANNC-UHFFFAOYSA-N 420.512 1.202 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CCO1 1299137138 APWMPXHJOZYCFI-SFHVURJKSA-N 408.462 1.115 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1299210841 QWSSSVHSVPOOTE-XMSQKQJNSA-N 424.505 1.727 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(Cl)nc2C1 1300380887 JUWJKJCZHSUAKF-ZDUSSCGKSA-N 422.942 1.913 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1300454993 DIJSBXNCHVVFNZ-UHFFFAOYSA-N 407.478 1.223 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1300465539 OQCMLIGNOPDESR-KRWDZBQOSA-N 421.498 1.176 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300484185 RQAIJPHLHFYYHI-MRXNPFEDSA-N 416.503 1.105 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1300501148 HCXPMLOLJVMHIN-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Cl)cn1 1300506612 WITXFHOJZWWGOK-UHFFFAOYSA-N 401.902 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1300523241 YTQWSNIUKRZBBR-OAHLLOKOSA-N 412.471 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1300554843 JZJKEPPAZCUXKZ-SSEXGKCCSA-N 424.530 1.690 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300630373 BXAONFUWXFLUQA-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1C[C@@H](C)O[C@H](C)C1 1300649970 QPDUCODGJGFBNI-IAGOWNOFSA-N 403.527 1.804 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1c(C)noc1C 1300663935 LHZNJCSEBZVRBZ-BBRMVZONSA-N 400.483 1.724 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C/C=C\c2ccccc2)CC1 1300681037 KFXGIRMUIWBJAT-FLIBITNWSA-N 404.518 1.983 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1300733939 OQZAXNWTMQUCKL-HNNXBMFYSA-N 419.576 1.817 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1300740707 BNJCDGLYONXTCP-UHFFFAOYSA-N 419.576 1.772 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCOC)CC1 1300756924 WKQPYMHFHRBUCC-MRXNPFEDSA-N 407.540 1.227 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnn(CC)n1 1301325129 BTKMWZXYRORZQA-HNNXBMFYSA-N 404.496 1.212 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(C)(=O)=O 1301376129 WTNHRFPFQKMBEB-UHFFFAOYSA-N 424.548 1.572 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1301462636 BBNUDNKIAYVECR-UHFFFAOYSA-N 417.583 1.810 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(C(=O)NC)CC1 1301489808 CMEKMMOLXDVZAH-UHFFFAOYSA-N 410.522 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@]3(CCO[C@H]3C)C2)nnc1C(C)(C)C 1301595888 DFWCJWGZGULZEA-KXBFYZLASA-N 412.556 1.561 30 10 HDEE COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301848190 MWGSKOSNACNYGG-GUYCJALGSA-N 414.466 1.183 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1302052329 MIIFRBVFEXZPJY-LIRRHRJNSA-N 402.503 1.801 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(F)F)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1302291150 CGJCBIBDCHCFER-NSHDSACASA-N 414.413 1.605 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1303496351 IEUVLJRVBQLRQP-LZQZEXGQSA-N 409.462 1.176 30 10 HDEE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1305222581 HIIJTBYQASYUNP-HQRMLTQVSA-N 418.563 1.946 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1305467424 OVRRCWXCCDZXNH-CQSZACIVSA-N 400.483 1.726 30 10 HDEE CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1306630102 MDPCZIAVGBQOJY-GDBMZVCRSA-N 419.507 1.698 30 10 HDEE CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1306704504 WNWPAKCIFKQTDC-UHFFFAOYSA-N 423.521 1.790 30 10 HDEE CCCNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1313482884 BIKMCIJDDGLSKP-INIZCTEOSA-N 400.458 1.653 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cc(C)nn1C 1314354215 GNUCCGXCYUMOEO-UHFFFAOYSA-N 408.466 1.440 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1314914783 AUHKKONTLQADPK-KRWDZBQOSA-N 405.462 1.354 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1(C)C 1315716263 HOQHLURIHFJVGW-MRXNPFEDSA-N 403.508 1.723 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)COCCO1 1316291213 QCXJVQZDNKWYNI-IDPBPBMLSA-N 419.526 1.938 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)=NO1 1343489523 HROVEYNPHBSVPA-HNNXBMFYSA-N 400.435 1.817 30 10 HDEE C=CC(C)(C)CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1351062198 OZYBITMCYNRDCJ-UHFFFAOYSA-N 400.522 1.970 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1358910984 HTVMSUQLZFPWKZ-SFHVURJKSA-N 418.505 1.626 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359034062 AVIWXOIAHGOGQY-RTBURBONSA-N 411.554 1.528 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCCC2)CC1 1359179523 XIALGLOFQMCBOW-MRXNPFEDSA-N 421.567 1.628 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359213752 FUGWFYQWGXBIMU-UHFFFAOYSA-N 419.555 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(N)=O)cc2)C1 1359312113 NXJXIWWAZUHCRN-QGZVFWFLSA-N 412.494 1.345 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1360871036 IEXOHHGEDQQSJX-AWEZNQCLSA-N 403.888 1.931 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C1CCN(C)CC1 1439606147 ZFJHGCWOFYUWJU-UHFFFAOYSA-N 406.534 1.733 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1447782139 KCOGLNVUHYAQNZ-MRXNPFEDSA-N 420.514 1.179 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc([C@H]3CCCO3)nn2C)s1 1448995779 YXUCCWRXEZHBDS-CQSZACIVSA-N 410.521 1.979 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1449064267 TUXWDBSBUQYPMN-CRAIPNDOSA-N 409.408 1.062 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCN(O)C3=O)C2)c2ccccc12 1450162025 HFKZLYBZULQJCL-RDTXWAMCSA-N 411.458 1.807 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 1453389442 LFWAJUFMAMVIKF-INIZCTEOSA-N 408.483 1.787 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1454879539 VVTZZVCXAURFDT-UHFFFAOYSA-N 402.451 1.645 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C2 1455039366 RIZGPLKJCZQHND-MAUKXSAKSA-N 410.861 1.469 30 10 HDEE C#Cc1cncc(C(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)c1 1455667031 VZVRGNSZGZCDQR-KRWDZBQOSA-N 401.463 1.981 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCN(C)CC1 1456169399 OEAQUDKQWBWGJW-LJQANCHMSA-N 419.547 1.314 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)C1=O 1461921647 YEYRSNPWMQWOGH-UHFFFAOYSA-N 403.744 1.952 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1463308303 VKBAZPSZBFKCCC-QGZVFWFLSA-N 421.494 1.306 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnn(C)c1I)c1ccccc1 1463947038 SIYZOIDABWSBRU-NSHDSACASA-N 401.229 1.678 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1)C(=O)OC(C)(C)C 1464033511 XAOQPOJBISWKNW-SFHVURJKSA-N 420.554 1.402 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC1 1468953156 QFTUIKGRGDLASV-OAHLLOKOSA-N 417.491 1.197 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470025920 ISWYABKROJOYEK-DOTOQJQBSA-N 419.957 1.953 30 10 HDEE C#CC1(O)CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 1470365511 CRMHPZXNPKZPKM-UHFFFAOYSA-N 407.264 1.551 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4ccnn4C)CC3)n[nH]2)c1C 1472387175 ILXGLAYDRMBUQH-UHFFFAOYSA-N 408.510 1.768 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 1475412012 MEZBZHKOFFUUPP-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1504826211 PEDHETVCJDLIQN-QGZVFWFLSA-N 409.494 1.464 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1507619263 ZNJSZZMRKVFOIL-UHFFFAOYSA-N 403.490 1.543 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507631646 ROWOXEOXAHRPSH-NVXWUHKLSA-N 416.551 1.383 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1508019269 FFYMGYKRPZOEEB-GOSISDBHSA-N 416.551 1.866 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OC2CCCC2)CC1 1508072700 RKUDRPOLUOECDP-UHFFFAOYSA-N 418.542 1.647 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H]2OC)C1 1508132643 XUJCCVIIBXBBKX-KZNAEPCWSA-N 403.527 1.997 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cccnc2)CCOC1 1509815781 KTTLXUNNLRITLN-NQIIRXRSSA-N 412.494 1.685 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCC[C@H]1CO 1511886501 PTUGHIZFKFJVPJ-FQEVSTJZSA-N 424.553 1.417 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)nn1 1520706570 NOYDSZRTBWUDHL-UHFFFAOYSA-N 411.510 1.317 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1520934910 HCUDXWPTUBQYNY-LBPRGKRZSA-N 409.407 1.243 30 10 HDEE Cc1nnnn1-c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 1536971319 FKANLXUGVSHWRU-LJQANCHMSA-N 401.430 1.768 30 10 HDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 1539132522 MCEKIFAQNOKPFC-UHFFFAOYSA-N 420.517 1.990 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)N(C)C)CCCC1 1539171984 QQYGJVHAHBFACF-UHFFFAOYSA-N 412.494 1.724 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC(C)C)n1CCS(=O)(=O)NC 1539392802 VDFZMCKLILMZHZ-UHFFFAOYSA-N 407.515 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOC 1539631309 KRQVYWIJHJEAQY-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1539774583 CTTSKQBOKMSTQV-UKRRQHHQSA-N 417.963 1.894 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540033485 JQMQPIIEGSIRQN-CVEARBPZSA-N 401.471 1.206 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CN(C(=O)OC(C)(C)C)C1 1540348562 ZYATUQRVIDMPSL-MRXNPFEDSA-N 407.511 1.649 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccnc1OC1CCCC1)c1cc[nH]n1 1540780930 YHARRBXVQIOLIP-UHFFFAOYSA-N 415.450 1.726 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H](C)O[C@H](COC)C1 1540868008 OWNCGFULRZWCJA-HOTGVXAUSA-N 415.494 1.496 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H]([C@H]3CCCO3)C2)nnc1C(C)(C)C 1540909032 VLFXHKSYVWETKR-HZPDHXFCSA-N 412.556 1.561 30 10 HDEE Cc1nnc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1543126478 DMULKTTVXHKEGE-ZWKOTPCHSA-N 421.502 1.969 30 10 HDEE CC[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545605065 GOQWFHDOSOUZSZ-SKTXUZTJSA-N 402.499 1.525 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCOC[C@@H]3c3ncon3)C2)C1 1545795543 JKGPJGMMIAXSDH-YCTJDYOESA-N 417.466 1.756 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1552727684 CWYNFPZZARBTJS-UHFFFAOYSA-N 418.505 1.950 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CSCCS2)CC1=O 1554361187 GCAMNWZCBZXQMD-MRXNPFEDSA-N 414.560 1.944 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC12CCOCC2 1555669992 RNGQSLGVDAAJTK-BRWVUGGUSA-N 405.499 1.548 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 1559307658 ACDMOBMUHPMLDV-JOCHJYFZSA-N 402.410 1.710 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc3onc(C4CC4)c3c2)n1 1561531556 KZXQELHFDDBIBP-UHFFFAOYSA-N 415.475 1.767 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccccc2-n2ccc(C3CC3)n2)CC1 1565590065 LLZRVDODBHHMLD-UHFFFAOYSA-N 405.502 1.647 30 10 HDEE C=CCn1cc(CNC(=O)CCS(=O)(=O)c2cccc(Br)c2)nn1 1585556143 ZJGBVHWRTBLROR-UHFFFAOYSA-N 413.297 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1587656240 GUDYRIRADUOUSH-QGZVFWFLSA-N 411.506 1.389 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587834563 CCCBMGYWWGHRGW-UHFFFAOYSA-N 412.519 1.702 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)c1 1588018831 YSTFIJXCNLSXBB-UXHICEINSA-N 404.532 1.591 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588059277 LCIIAXVMOPUGPD-OGNFBWPZSA-N 406.552 1.408 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1588059444 OFSQUGOPSKWCGF-AWEZNQCLSA-N 407.471 1.080 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 1588199286 MMNAQOIBRNZEMM-UHFFFAOYSA-N 408.867 1.220 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N(C)C2CC2)CC1 1588876909 NMSRQXSCBZQIRK-HBFSDRIKSA-N 416.570 1.240 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1594802541 BZPVLVJEYCQYSJ-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1595530013 POJCNIUYRQOLPJ-NRFANRHFSA-N 420.452 1.875 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N(CC#N)CCC(=O)OC)cc1 1597332387 LXTABEGKRGFALT-INIZCTEOSA-N 405.476 1.516 30 10 HDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCN(C)CC1 1611145366 MDFFQRVOCNPORK-UHFFFAOYSA-N 417.575 1.960 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 1611314032 VYYPXAJCWOFBKQ-GXFFZTMASA-N 405.398 1.341 30 10 HDEE CC(C)(C)OC(=O)NCc1ccccc1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1616348351 XVLUPLULVANVCL-ZPHPHTNESA-N 414.462 1.968 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1625427739 ALCKTFRWHDNUHX-UHFFFAOYSA-N 424.482 1.053 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3nc(C#N)cs3)cc2)C[C@H](C)O1 1626926024 BOBPOOCAQJHSHG-STQMWFEESA-N 420.516 1.743 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(C)C)CC1 1629091813 IJNRAOHLWBUCII-AWEZNQCLSA-N 402.923 1.255 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(-n3cncn3)c2)s1 1629626137 AAXOMBHQVDTWRT-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE C#CC1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1630856047 BUXNPWRVXDAOQI-QUCCMNQESA-N 404.532 1.806 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCN([C@H](C)c2ccccc2)C1 1630869032 ONUCPDVTPKJREW-VQIMIIECSA-N 409.490 1.895 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c(OC)c1 1630909132 ZVJPGXMGIBCFJW-UHFFFAOYSA-N 408.454 1.646 30 10 HDEE CCOC(=O)[C@@](C)(O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1632408963 QAEQJXRJQXDXQW-KRWDZBQOSA-N 410.268 1.187 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)c1 1632952914 KHIDVPAOWDVKIU-LJQANCHMSA-N 402.447 1.951 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1633750674 RRVCJPASHQLNHY-SHTZXODSSA-N 407.492 1.647 30 10 HDEE C[C@](C#N)(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C1CCCCC1 1633855961 VGMNQQFCOQLWQQ-DYESRHJHSA-N 402.470 1.707 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(CC(=O)N2CCC(N(C)C)CC2)CC1 1634232959 QGMHQRBIVKOJRG-UHFFFAOYSA-N 413.522 1.762 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@]2(C(=O)OCC)CCCOC2)c1 1634433062 MHXRBWLMNHYUJZ-HXUWFJFHSA-N 407.488 1.573 30 10 HDEE C=CCCC[C@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OC 1634884931 OKAOQYNJMZNIJZ-INIZCTEOSA-N 421.519 1.862 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1=O 1635145597 QHVZJIQAIFPLJW-HDJSIYSDSA-N 422.482 1.163 30 10 HDEE C=CC(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1635702139 ZXZOPSYPIYOSEO-SFHVURJKSA-N 404.426 1.919 30 10 HDEE N#Cc1cn(CC(=O)N2CCC(c3nc(C(F)(F)F)cs3)CC2)c(=O)nc1O 1636139431 GLGKDTAGLUNXNE-UHFFFAOYSA-N 413.381 1.702 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 1636475612 PKRLLYITEDCNJU-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)CCn1cc(C#N)c(O)nc1=O 1637305250 LSFUEEZPGFVVGH-UHFFFAOYSA-N 420.473 1.893 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1 1637915515 DMHXRJJLQIIMPZ-UYAOXDASSA-N 401.484 1.698 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1 1638138119 CMHDSGDWRVMRBY-UHFFFAOYSA-N 412.533 1.334 30 10 HDEE O=C1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1639495300 BJLAFNXESDIASP-AWEZNQCLSA-N 406.508 1.070 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CCO1 1639633857 OBNSKXRXCQTTCK-MRXNPFEDSA-N 423.210 1.887 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1640918081 UEYOIWADPJBPHY-UHFFFAOYSA-N 403.298 1.421 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H]2CSc3ccccc3O2)c1 1641668733 LPSNXYVWKQYVLG-AWEZNQCLSA-N 403.485 1.506 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1641809966 BALITVXEBNQMJF-OAQYLSRUSA-N 414.462 1.616 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(C(N)=O)cc3)CC2)c1 1641833705 QLTNRAWUXOVKCP-UHFFFAOYSA-N 405.458 1.237 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CC)c2cccc(S(N)(=O)=O)c2)c1 1642505672 UJZDZXDXBZSDME-GOSISDBHSA-N 414.487 1.704 30 10 HDEE C#CCN(CC(=O)N(CCC(=O)OC)CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1644455441 RJJCZGXLHJVHLD-UHFFFAOYSA-N 412.483 1.590 30 10 HDEE COC(=O)[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1648492260 OXSZFPVNVOUYCG-HNNXBMFYSA-N 421.519 1.601 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)c1 1648679811 YORUOPVRYALWLO-MJGOQNOKSA-N 400.456 1.844 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)nn1 1659356132 MRWJIZIPXFUAOY-UHFFFAOYSA-N 418.401 1.626 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)c1 1670567355 ICWRRAUUSXRZHN-LJQANCHMSA-N 413.499 1.773 30 10 HDEE C#CCN(C)CCCNC(=O)NCC1(COC)CCN(C(=O)OC(C)(C)C)CC1 1672623576 RTCOTNXYIKZVAS-UHFFFAOYSA-N 410.559 1.904 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1677395478 AZDXEQJRLYZCHM-KRWDZBQOSA-N 405.495 1.935 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683532941 MYPDWLDEEGUSLI-UHFFFAOYSA-N 407.518 1.694 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1689875240 NTDVQTNDRCJJKJ-INIZCTEOSA-N 424.571 1.141 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689933921 CUYXVRYZLFHPOM-KRWDZBQOSA-N 402.524 1.195 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1689980038 KPNKBCHAZVWVBO-IRXDYDNUSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCNS(C)(=O)=O 1690041048 YGKUJQXEMBNUDA-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(C)nn(C)c1C 1690095527 SZHLTKWEFFYYPT-NRFANRHFSA-N 416.526 1.415 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1690204980 XMEFLJKUCCDJSS-NJNPRVFISA-N 414.554 1.722 30 10 HDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC)C1CC1 1690545149 KQBHEEUVWYJDEN-UHFFFAOYSA-N 410.526 1.743 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690646488 SMMBBFZEGPPTRZ-GOSISDBHSA-N 409.538 1.583 30 10 HDEE CC(C)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1692808296 ZFECKYVPLIYXFW-BBRMVZONSA-N 422.511 1.262 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1696414252 POKZNUXWIBTFRZ-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1696499687 NRTJPQDTXHZNJW-SFHVURJKSA-N 421.502 1.035 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)OC 1697756929 IDSYWWYCCRDUCF-AEFFLSMTSA-N 412.494 1.570 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705491819 IKSQXRINGSHABP-ZFWWWQNUSA-N 423.564 1.588 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705536689 LNZWODMMJXIPJB-LJQANCHMSA-N 415.563 1.995 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705572043 PISNHCZTXQLFBV-FJIDUMEYSA-N 424.567 1.817 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cc(F)cc(F)c1 1705582888 LQKHSTNBYPUJDB-INIZCTEOSA-N 418.469 1.774 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705628687 MWJNRLHUJAOZPU-LQWHRVPQSA-N 404.511 1.596 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](C)N1CCOCC1 1705629312 DECNWEDREPTORU-GOSISDBHSA-N 415.513 1.815 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(OCC(N)=O)CC1 1705708472 CSPAERGLRVDYMF-BEFAXECRSA-N 407.515 1.267 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1705715380 CQXKIICGQSWDGD-INIZCTEOSA-N 401.515 1.984 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)(F)F 1705876796 KNJUVKGFBPBSJY-UHFFFAOYSA-N 411.432 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)CC1CCOCC1 1705935903 GJSRIWNHCDGOQA-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE CCN(C)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1709924365 DFGORQYORABCFO-MOPGFXCFSA-N 423.521 1.458 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1710971488 GSLVQDPUFDYCRL-INIZCTEOSA-N 412.498 1.056 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711054022 XORLDFRRWXGBEY-FBMGVBCBSA-N 415.498 1.033 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](CC(C)C)N(C)C 1712647808 KTGDYSIGXUXYPP-OKYOBFRVSA-N 420.558 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CCNS(=O)(=O)c1ccc(C)s1 1722303948 UXXQTUJFHRFHIS-CYBMUJFWSA-N 411.553 1.621 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N(C)C 1722370280 MXEQOOFQJCDWAG-HXUWFJFHSA-N 404.518 1.890 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)OCC)CC1 1722446844 AFHSAPMWUJIWMN-QGZVFWFLSA-N 403.527 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C(C)C)CC1 1722447649 KZSUTACQSYJJKO-PGRDOPGGSA-N 417.554 1.893 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCCNS(=O)(=O)CC 1722472537 MZAQPFKZAZRTIA-HXUWFJFHSA-N 416.551 1.585 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722535038 WZTMRKJSVVQTHG-INIZCTEOSA-N 420.539 1.731 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1722680886 CMXMYJIFAHGLPY-INIZCTEOSA-N 413.544 1.194 30 10 HDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(OCC(N)=O)CC1 1722684263 FCZPQSUIPXUBCP-UHFFFAOYSA-N 401.467 1.619 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1722699251 STMXKHGTNIJEGC-YESZJQIVSA-N 421.567 1.499 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722862312 BICRKHAOLIGMQB-ZIAGYGMSSA-N 418.523 1.563 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOCC1CC1 1723946648 YUCFKQQLQKEJGK-KXBFYZLASA-N 424.571 1.835 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1728187852 ZIUZYJPOPGDVGX-DLBZAZTESA-N 424.461 1.847 30 10 HDEE COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1730697042 JGVXLGKTCKKWBP-GOSISDBHSA-N 407.471 1.827 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740587294 FNAQBHNJZXMDRM-UHFFFAOYSA-N 418.509 1.332 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1740627594 RGTUPZZRVJAVIW-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628913 WKILAZQQWROIPV-GOSISDBHSA-N 423.583 1.317 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(OC)C1CC1 1740636063 USKGCAQZLCUSMY-JOCHJYFZSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1nnc2n1CCCCC2 1740641579 CTUJLTTUPWWION-UHFFFAOYSA-N 414.517 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1740641906 IASMWPINHVOOIF-OAQYLSRUSA-N 406.534 1.694 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@H]1COCCO1 1740688111 MMXWPMFMIBTIBH-IBGZPJMESA-N 400.479 1.667 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCC[C@H](C)C2)CC1 1740695582 XUNTZVNITCVKJL-CVDCTZTESA-N 424.597 1.944 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740696060 LIGPIRSFEZBWQH-KRWDZBQOSA-N 407.584 1.447 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1740799170 HDTZIHKFKABJMF-IKGGRYGDSA-N 407.515 1.297 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740887584 KEZYDDTUMQHALG-HKUYNNGSSA-N 404.559 1.422 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2)C1CC1 1740907382 XCAVIKJMXZUQNC-CYBMUJFWSA-N 419.507 1.820 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1740989878 BBPFAALLOPRBPD-IRXDYDNUSA-N 418.523 1.484 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCOC1 1747623332 HPLKZXQIJKSQOY-INIZCTEOSA-N 401.492 1.619 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(NC(N)=O)cc1 1748956143 KPIBFQRCPAJALI-UHFFFAOYSA-N 405.462 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1748989173 HJAPECQHNVZXNL-VGSWGCGISA-N 413.497 1.584 30 10 HDEE COCC1(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CCC1 1749399326 DTKYCQOSSKQKAP-HOTGVXAUSA-N 409.556 1.983 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1749427274 OACSENZDEDVTBB-HZPDHXFCSA-N 405.528 1.579 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749731308 BBSMNDZGXMXOHB-XDNAFOTISA-N 424.567 1.982 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1760188140 ILCMIQUIJMOGTB-INIZCTEOSA-N 405.524 1.717 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCn1cc([C@H]2CCOC2)cn1 1760246452 QZPDYUNEJWDDSQ-IBGZPJMESA-N 421.505 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCCN2CCC)CC1 1760259084 GLAYJSVMWFYVOP-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOC(C)(C)C)CC1 1760268508 KXBDVFAOTAMQFJ-INIZCTEOSA-N 416.526 1.010 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1 1760287633 ZNELVLXPIOMHFJ-LJQANCHMSA-N 421.567 1.766 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1760355265 DFQRFIZYUPFENI-AWEZNQCLSA-N 423.477 1.498 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCS(=O)(=O)CC)CC1 1760398203 OXZJHQBFQZZFGE-IBGZPJMESA-N 412.556 1.767 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1760500725 UXLBBCIWMDSFKL-MRXNPFEDSA-N 407.515 1.598 30 10 HDEE CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768251161 FASSPTJMRNVLDH-UHFFFAOYSA-N 418.523 1.446 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCCn1cnnn1 1768633461 GROLZMNRURTHAV-SFHVURJKSA-N 407.482 1.757 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1769878929 DJEQVPMMEDDFMS-JTSKRJEESA-N 423.521 1.965 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC[C@@H]1C 1770632284 KLLZORVZPFNYRG-LPHOPBHVSA-N 424.505 1.537 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC(=O)NCC(F)F)CCO1 1770751244 DKEABBBRUBUKRF-HNNXBMFYSA-N 404.421 1.173 30 10 HDEE COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1770964423 XHMJOFDIBAJCME-RHSMWYFYSA-N 414.466 1.154 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1771492484 UAGDPTAJFLHRFH-CRAIPNDOSA-N 410.478 1.480 30 10 HDEE CCn1cnnc1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CC#N)CC1 1772880826 BTFCUMKJXDJLKB-OAHLLOKOSA-N 402.503 1.792 30 10 HDEE C=CCN(C(=O)Cc1nnc2cc(-c3nc(CC)no3)ccn12)[C@@H]1CCN(C)C1=O 1850856428 WZIALZVIVFCDSP-CQSZACIVSA-N 409.450 1.130 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1851285521 PPXDKIOXQWZWIO-UHFFFAOYSA-N 402.447 1.984 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)CC1 1851671671 WBNGKARVPSAYLY-IBGZPJMESA-N 421.432 1.225 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 1852268420 LATZYUDGMUBXNY-QGZVFWFLSA-N 411.911 1.035 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CC(F)C2)cc1 1852391272 KSLHBQODDUMOOY-IBGZPJMESA-N 417.462 1.637 30 10 HDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854083827 LLTJUYWKYMDAKQ-OALUTQOASA-N 417.531 1.373 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(Cc3nnc(C(F)(F)F)o3)C2)CC1=O 1854320441 OKPNSPPVYDSRCO-GFCCVEGCSA-N 401.389 1.300 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855267335 OZCKIKAHBZLWKX-MRXNPFEDSA-N 417.487 1.023 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1 1855935999 YJACJIRAGQJCCH-HXUWFJFHSA-N 404.474 1.692 30 10 HDEE CS(=O)(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856949128 YMYAOHBLQSKZAC-INIZCTEOSA-N 403.504 1.446 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1857033608 DFMMICSDWCXOKA-WMZOPIPTSA-N 419.547 1.966 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)Cn3c(=O)oc4ccccc43)C1)CC2 1857231128 RDIMZGRLCLDEQS-JKSUJKDBSA-N 408.458 1.595 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)Cn3cnc(C4CC4)cc3=O)C1)CC2 1857231132 RFMLTNRITPMUHJ-NVXWUHKLSA-N 409.490 1.121 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cc(-n4cccn4)ccn3)C1)CC2 1857231764 GWUXWZCJLQGZFJ-DLBZAZTESA-N 404.474 1.882 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCOC3)C2)CC1 1857248873 CTKISJKHESOVHC-HKUYNNGSSA-N 412.490 1.456 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1857387201 FYNVXYWQRDDWOB-IEBWSBKVSA-N 400.523 1.921 30 10 HDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1C 1865729440 OZVUHKLETVBJSO-INIZCTEOSA-N 422.485 1.288 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870388248 NIDSBYIWMVQABL-GJZGRUSLSA-N 421.519 1.718 30 10 HDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889404440 YTGWGGJILWRTFW-LJQANCHMSA-N 417.525 1.851 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](Oc3nccnc3OC)C2)cs1 1889577530 ABNYFLHNFOACAF-LBPRGKRZSA-N 403.464 1.541 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890872585 WFOZPLVQYVSUTB-HKUYNNGSSA-N 421.538 1.782 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985106301 YCHBNGKSHLOIOO-ZIAGYGMSSA-N 410.320 1.766 30 10 HDEE C=C(Cl)[C@H](O)CS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2019012986 VETBCIPYRRRARW-ZIAGYGMSSA-N 419.883 1.673 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029231453 VYGACMDJZJNZOA-UHFFFAOYSA-N 405.520 1.327 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2118171008 SVLQHTRXXMPYAX-QZTJIDSGSA-N 418.519 1.858 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCCC[C@H]2C(=O)O)CN(C(=O)OC(C)(C)C)C1 2162444229 JAPQOSVNEKHVLS-ZDUSSCGKSA-N 403.501 1.326 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174786961 OWNYRFGCISZALW-XFHMXUHZSA-N 405.492 1.622 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195308194 SSPXXZKJSRAJJR-QWHCGFSZSA-N 404.529 1.832 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc(Cl)ccc1C#N)C1CS(=O)(=O)C1 2197522036 CJPYJTVCFLZFHO-LBPRGKRZSA-N 414.871 1.483 30 10 HDEE N#C[C@H]1CN(CC(=O)CN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 2209168582 RTLFJKGIOGDFHO-SFHVURJKSA-N 402.454 1.562 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C3CCOCC3)n2)OC1(C)C 2241206785 JEHKRMUXUXNVFX-UHFFFAOYSA-N 402.709 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247807266 VZMNSIDBQZJHED-CYBMUJFWSA-N 418.303 1.614 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCC(=O)O)Cc2ccccc2)n1 2248576265 GFNCAEZHZDBHDO-UHFFFAOYSA-N 414.271 1.231 30 10 HDEE C=CCC1(C)CN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258173665 OVVYYKMYICQHKV-MRXNPFEDSA-N 410.492 1.682 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@H]1CO 2282321835 BXBXYYUIQIYKQQ-STQMWFEESA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(F)(CO)CC3)c2)OC1(C)C 2282333078 KGDQAZVMSKHWHG-UHFFFAOYSA-N 405.322 1.532 30 10 HDEE CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282425185 MGMMLMZBUUJERT-LLVKDONJSA-N 402.347 1.239 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCCNC2)OC1(C)C 2282490727 KNUINYAOZVNEAI-GFCCVEGCSA-N 400.737 1.670 30 10 HDEE CN(CCCS(C)(=O)=O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282492870 QXCVKRBXIFFZKL-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE C[C@H](CC[S@@](C)=O)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282545473 RPCIUZPBLRWOKR-AFNXNYLOSA-N 403.741 1.260 30 10 HDEE CO[C@@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828591 RAKLDVQWZDNWCD-SMDDNHRTSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC2CC(O)C2)OC1(C)C 2282832352 NTRPPKNAYODTKS-UHFFFAOYSA-N 402.347 1.023 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@@H](C)[C@H]1C 2282834156 QBBXDWWTMLJXQW-NWDGAFQWSA-N 400.375 1.727 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282847304 XHKVZRQHNBJKAZ-VWLOTQADSA-N 402.347 1.390 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS[C@H](CCO)C3)s2)OC1(C)C 2282849091 WIIIGWTUJIHRGH-GFCCVEGCSA-N 419.399 1.536 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3C(=O)O)s2)OC1(C)C 2284408694 YTSJIFYCKUOCNN-GHMZBOCLSA-N 401.315 1.579 30 10 HDEE CC[C@@H](CCC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284409257 GZIYNIMUUANKES-NSHDSACASA-N 403.331 1.969 30 10 HDEE COc1cc(C=NN[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccccc1 2320842337 VUHXENUUBOLYGX-KRWDZBQOSA-N 417.487 1.823 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)N2CCC(C#N)CC2)CC1(F)F 2361775208 YXNGXFXMNGUVHA-OAHLLOKOSA-N 408.471 1.701 30 10 HDEE COC1(C#C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363526278 KBVZAGMWMCCLTC-CVEARBPZSA-N 401.525 1.638 30 10 HDEE C[C@@H]1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)[C@H](C)CN1C(=O)OC(C)(C)C 2365173352 RBEZCHXTUFXIFM-PJIJBLCYSA-N 401.525 1.779 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 2365202103 MJMRWECJAYSILK-CLCXKQKWSA-N 404.573 1.845 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)c1cn(C)nc1I 2367788410 PDKCHIYNUZTHAA-NSHDSACASA-N 407.277 1.256 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367791119 XRKCYCGTMMDGOF-BZUAXINKSA-N 400.541 1.556 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 2367794896 BYSSTPWFKDLKAF-XHSDSOJGSA-N 400.541 1.427 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(NC(=O)OC(C)(C)C)C1 2367823907 JOXBDMHRJINDAH-HVEKOLDVSA-N 400.541 1.353 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N(C)CCC#N)cn2C 5042306 ATKPVLKGFJOGIX-UHFFFAOYSA-N 404.492 1.555 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 46800365 GALHXYBNIXGLNR-AWEZNQCLSA-N 405.480 1.905 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(N)=S)C1 59377887 NENJYFAJOHEUCS-HSWQHBDASA-N 406.512 1.847 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cc1 428002163 VRINTPMDZVBDGF-RCNLVROASA-N 412.511 1.098 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3[C@@H]3CCS(=O)(=O)C3)cc2C1=O 437188949 JFJCZWOCUJBNGZ-CYBMUJFWSA-N 414.443 1.277 30 10 HDEE CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 438699399 VMPNQSMFDIQFBM-OAHLLOKOSA-N 401.854 2.363 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 439719430 ZKIVPCMULGKVHD-UHFFFAOYSA-N 406.442 1.909 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(C)C 460125306 QCFDNGQAYZOPGW-SFHVURJKSA-N 415.604 1.209 30 10 HDEE CCc1c(C(=O)Nc2nc3c(cc2C#N)CCCC3)cnc2c1c(=O)n(C)c(=O)n2C 484180618 RBYXXVDIXGWCBD-UHFFFAOYSA-N 418.457 1.592 30 10 HDEE CS[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1N1CCCC1 484611448 BIRZGKQRXIJMPD-MSOLQXFVSA-N 418.567 1.015 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 486647243 VDNXURQKHJOXKV-LJQANCHMSA-N 410.499 1.630 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)ccc1F 488854521 HODGSVGBUHJIAM-UHFFFAOYSA-N 406.458 1.937 30 10 HDEE Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)nn1-c1cccc(C#N)c1 507095154 QAICGRYMOLQWJS-IBGZPJMESA-N 410.522 1.875 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508896835 UPYSMBICGWGYME-IBGZPJMESA-N 411.506 1.913 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2CCN(c3ccccc3F)C2=O)CC1 512473987 HOVIJVLZQIEKDP-PMACEKPBSA-N 415.513 1.555 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 520371322 OMQDLICAISOBCF-QGZVFWFLSA-N 405.520 1.626 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 522531904 SDMMSIPBXLFMIG-OCCSQVGLSA-N 403.529 1.664 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1F 536248600 MCQAHJFGXQUWDW-OXJNMPFZSA-N 403.479 1.859 30 10 HDEE CN(CC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@H]1CCS(=O)(=O)C1 541165020 OWLZDUIUCGSEGL-AWEZNQCLSA-N 407.883 1.455 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546213580 IWYAOSDFBOQISX-MRXNPFEDSA-N 411.487 1.729 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(C(=O)CCC(=O)O)cc2)cc1 546265924 NECBKASQCDQMEH-UHFFFAOYSA-N 402.428 1.963 30 10 HDEE CC1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 561149122 CCDPLOLUJFIXIZ-INIZCTEOSA-N 424.954 1.968 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 561891459 YGGJXYFFDLLUDH-UHFFFAOYSA-N 419.485 1.621 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 568772933 BVVXURKBQNMJBW-UONOGXRCSA-N 413.544 1.632 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc2N(C)C1=O 586313562 KXSRGNNHZWJAPX-PVLCWKDFSA-N 405.476 1.122 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)CC1 608889763 AAPZHPXLRPRIOZ-UHFFFAOYSA-N 406.490 1.141 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 609406517 UMKXRKRJCTXDMZ-AWEZNQCLSA-N 424.548 1.419 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 619834880 HYZBRUVTVCNHCD-QAPCUYQASA-N 408.528 1.317 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCO)c1 703969854 MKFHFQAGVGUGNA-HNNXBMFYSA-N 412.467 1.307 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)s1 714633073 LKSCURDZZBQCNR-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 729332428 XCSLKAAQIMCBEN-LBPRGKRZSA-N 403.287 1.372 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)c1 729426647 WZWGUPQCCUCEMG-SJORKVTESA-N 408.545 1.725 30 10 HDEE Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732428940 AQYIRWGJBBKKCK-HNENSFHCSA-N 411.462 1.879 30 10 HDEE N#C[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCN1C1CC1 732649012 NUSDRVPWGGNWNX-IAGOWNOFSA-N 415.881 1.744 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)CC1 732704484 WKOWXHNFPYNJDI-LJQANCHMSA-N 414.529 1.849 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 756545874 WXHZGRQLQVQYIY-AOMKIAJQSA-N 413.474 1.411 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CCCCC1 760406624 RVZKMLSNAQCNNI-UHFFFAOYSA-N 410.496 1.161 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(I)c1)[C@H]1CCS(=O)(=O)C1 763293772 HVRILBIRGROKNK-NSHDSACASA-N 421.231 1.693 30 10 HDEE O=C1N=C(NN=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)NC1=O 765593951 KUWLYEXBHFNEPK-UHFFFAOYSA-N 406.152 1.553 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c1 769228852 WOCXIJXRSSOCCE-OXMAITBSSA-N 422.507 1.523 30 10 HDEE Cc1ccsc1[C@H](CO)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 771233279 QTRXPJXXLTXPGZ-OCCSQVGLSA-N 407.517 1.723 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1)[C@@H]1CCCO1 773790977 BGJCISNIYHSPSC-MSOLQXFVSA-N 407.474 1.907 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)COC(=O)c1ccc(C2(C#N)CC2)cc1 777171832 GAOXIHBJNIYOEM-UHFFFAOYSA-N 413.455 1.993 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F 780776779 HBDHNTSTEPEPCB-BUHFOSPRSA-N 407.345 1.649 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 780830129 XLMFCFQWXBEVCG-WATITHJCSA-N 421.461 1.845 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)cc(F)c2Br)CCN1C1CC1 785993407 XDJRLNWYBZGBHM-NSHDSACASA-N 413.222 1.865 30 10 HDEE Cc1sc2ncn(CCC(=O)O[C@@H](C)C(=O)NC3(C#N)CCC3)c(=O)c2c1C 787601067 WYWSJKYSNIVONN-LBPRGKRZSA-N 402.476 1.959 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC)n1 789793932 SWZPTUYBSRSZSG-UHFFFAOYSA-N 407.474 1.803 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 794496068 XSIYKGCODAZGOF-ZSOIEALJSA-N 412.471 1.477 30 10 HDEE C[C@@H](C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl)n1cnc(C#N)n1 798742073 GVKSICULBXNXKU-NSHDSACASA-N 404.814 1.004 30 10 HDEE Cc1c(NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c(=O)n(-c2ccccc2)n1C 798745208 YMNKYHNJENHECQ-KBPBESRZSA-N 423.433 1.079 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccccc2C(=O)OCC)n1 799819729 UHVFWFFVZCQXLG-UHFFFAOYSA-N 405.476 1.530 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cn1 807941415 NLAZVPAAKIBLRH-AWEZNQCLSA-N 415.479 1.019 30 10 HDEE COc1cc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1C#N 810866708 NEWHLVIOQXSNOM-UHFFFAOYSA-N 402.451 1.262 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC2COCCOC2)c1 814618723 DYZQEMHVDRQCHX-PYCFMQQDSA-N 424.523 1.817 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C(=O)N3CCOCC3)C(C)C)cc2C1=O 876538340 PGNXXMXLTCDOCY-KRWDZBQOSA-N 400.431 1.509 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)CC1 913098497 AIFVVOZUPCCWBK-KRWDZBQOSA-N 404.898 1.200 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CCc2c(C)[nH]c(-c3ccncc3)nc2=O)c1 921058967 MKROZXZBSOSIIU-UHFFFAOYSA-N 415.453 1.809 30 10 HDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)c1O 1084200732 UBORDWVTNISXSC-UHFFFAOYSA-N 403.424 1.992 30 10 HDEE CC(C)C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCOCC1 1130119864 AWHIAGLLMWLHDZ-MJGOQNOKSA-N 416.497 1.913 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H]([C@H]4CCCO4)C3)CC2)cc1 1133387479 VMRZXKUVJZJKKB-UYAOXDASSA-N 417.531 1.986 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1137093084 QSAGBNGAIODHHR-ZZXKWVIFSA-N 407.423 1.070 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC)[C@H](O)c1c(F)cccc1F)c1cc[nH]n1 1137413753 INILDIRTOMWDHL-ACJLOTCBSA-N 424.404 1.600 30 10 HDEE COC[C@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CCN(C(=O)OC(C)(C)C)C1 1139231922 ALTLUBOTDQBLEK-FQEVSTJZSA-N 407.467 1.695 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)CC1(C#N)CCOCC1 1140177460 KEYBEDQRKFOCOE-HNNXBMFYSA-N 409.483 1.708 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)c2ccc(OC)cc2)c1 1141961267 BEJHPQWARDJZTF-QGZVFWFLSA-N 404.488 1.665 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)c1 1149862901 CUSXDCZBEHMHNM-HNNXBMFYSA-N 414.430 1.259 30 10 HDEE CCCCn1c(CN2CCOC[C@H]2C#N)nc2c1c(O)nc(=O)n2Cc1ccccc1 1167699067 GHDPABXRZPCXKC-QGZVFWFLSA-N 422.489 1.871 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cccc(CC#N)n3)CC2)cc1 1175837550 JIZSNOPFTPEQPY-UHFFFAOYSA-N 413.503 1.401 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)Cn1cnc(C#N)n1)C2 1176868821 FKFDJSMWJWTSLS-CQSZACIVSA-N 404.471 1.072 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@]3(CO)c3ccccc3)CC2)o1 1176960478 ZMQDEDJNYHTSFR-JOCHJYFZSA-N 409.490 1.487 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 1177758883 HSYCLJGNZXHRCA-INIZCTEOSA-N 424.954 1.350 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nn1 1205114401 FFNBMJMSIHNIRQ-UHFFFAOYSA-N 406.468 1.269 30 10 HDEE COc1ccc(NC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1C#N 1208405630 FACMZODFEITELW-UHFFFAOYSA-N 410.496 1.471 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1208845176 QUTXRLXBEIIROH-UHFFFAOYSA-N 407.448 1.221 30 10 HDEE CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1211953016 CSVKBDWCKGHBNX-SNVBAGLBSA-N 407.311 1.376 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)NC(C)C)CC1)c1ccc(Br)cc1 1230499263 SXPVDAGWZXGGRM-QGZVFWFLSA-N 421.339 1.975 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1251248637 FBGXKJRZEDQNKN-AEFFLSMTSA-N 402.495 1.695 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)Cc2ccccc21 1252916241 KVZJGYWEWPZHFH-PMACEKPBSA-N 403.486 1.994 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286385323 WJBHHFIZKZBHMN-LJQANCHMSA-N 415.519 1.414 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(OC)CCOC1 1286400731 KEAQPMOJRJJTPF-NHCUHLMSSA-N 402.495 1.197 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](OC)C1 1286500067 OEYPVMXCLXFXOO-INIZCTEOSA-N 420.560 1.940 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C)C1 1286561612 CDODBALSKLOAEU-AXVVYFOYSA-N 403.527 1.995 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286691660 NBFPFKWAXNNRTH-GOSISDBHSA-N 404.559 1.914 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1286954714 NQXXOGAFCZLIBA-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)Cc2ccc(Br)cc2C#N)C1 1297260278 LQFPKHUHCDYQKU-CXAGYDPISA-N 411.296 1.736 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300419614 PMGPVFMGRLOCAP-UHFFFAOYSA-N 415.563 1.995 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300497392 AYVXAFYBKHAFKG-QZTJIDSGSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1300541051 KRFZJDTXCTYDOV-UHFFFAOYSA-N 406.534 1.572 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1300710774 KSFBZGKDTRIPGJ-WOJBJXKFSA-N 416.570 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1300719247 TUJOLKOXSVHVSJ-LJQANCHMSA-N 424.480 1.767 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1301124208 HKGAJDLKFGXSJG-QZTJIDSGSA-N 424.567 1.778 30 10 HDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1)C1CCOCC1 1301133907 SGNKKUQQUAFABD-AWEZNQCLSA-N 408.505 1.441 30 10 HDEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301151859 ROANDOSTNVUIMD-HNNXBMFYSA-N 402.543 1.616 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301223639 ZXLBGPKVTGSKGH-OWCLPIDISA-N 407.540 1.203 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301257706 DEHXJHAIOQZXJJ-UXHICEINSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1301272011 AEQPROYXCBSZPI-CQSZACIVSA-N 416.511 1.140 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1301491233 MXAILLOENRGMOU-OAHLLOKOSA-N 410.482 1.726 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1301510113 TZUKNEZDDKAEOM-SJORKVTESA-N 401.515 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(COC)CC1 1301578769 IGCZCHHWAJMBHK-UHFFFAOYSA-N 407.540 1.747 30 10 HDEE CC(=O)NCCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1301936222 BDGHFMGJMSQGPS-OALUTQOASA-N 408.478 1.287 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCOCC2CCOCC2)CCO1 1303005348 YSGQGDFUYMAUSD-QGZVFWFLSA-N 400.483 1.835 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1303046089 IUBRLNBRMJSFFJ-CABCVRRESA-N 411.480 1.439 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1303635245 CJXGBWWJFWWKQW-GOEBONIOSA-N 405.466 1.597 30 10 HDEE C#CCN1CCN(C(=O)CN2[C@H](CNC(=O)OC(C)(C)C)CC[C@H](C)[C@@H]2C)CC1 1307880105 AAWOKDLOVXSCDS-FHWLQOOXSA-N 406.571 1.778 30 10 HDEE COc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2NC(=O)NCC(=O)NCC#N)cc1 1312659480 ASFIRMAIBKMVTP-LEWJYISDSA-N 421.501 1.602 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)c3ccccc23)CC1 1312870504 ZUSFGABOAVDGFI-UHFFFAOYSA-N 400.504 1.443 30 10 HDEE CCOCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314469880 FVGRTDPFABHLAH-HTXNQAPBSA-N 402.499 1.935 30 10 HDEE COCCCN(c1nnc(C(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1316036038 SJHCKSGZDXRRGU-OAHLLOKOSA-N 421.523 1.944 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCC(=O)c1ccc(N2CCOC2=O)cc1 1330154146 BUJPUPWBBWUJCM-VHEBQXMUSA-N 413.386 1.286 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1337193847 VAIJSJVZJVFNQH-MSOLQXFVSA-N 403.504 1.123 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1358873009 BKPJKXDMFUKWMO-YWZLYKJASA-N 414.514 1.221 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2C[C@H]2CCC(=O)N2)c1 1358901907 ZNWAYYWEZYAZBX-QGZVFWFLSA-N 408.506 1.910 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCc2oncc2C1 1359291363 NRYSQOMVGCXSIM-UHFFFAOYSA-N 401.471 1.049 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@@H]2C)C1 1359312723 ZZXRBWJWDJTBTN-ZWKOTPCHSA-N 402.543 1.780 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@@](C)=O)CC2)C1 1359327188 UYVNMSIETZNMMK-ZDCJXRPDSA-N 424.567 1.695 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1359586989 DPGPMKVWPGIROO-IBGZPJMESA-N 420.514 1.919 30 10 HDEE CNC(=O)Cn1nc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)cc1C 1447196215 OOTPZZXVVMZWGK-UHFFFAOYSA-N 412.299 1.797 30 10 HDEE CCO/C=C/[C@](O)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1450334830 CMNKNXJIBBVKEV-ZKKXHLJNSA-N 424.372 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1458006665 SZASICOCKSFTKI-HUUCEWRRSA-N 416.544 1.361 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1460178259 DAXMHILDPJOXQN-QGZVFWFLSA-N 410.430 1.664 30 10 HDEE CCOc1cccnc1N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 1460775246 ACWWEFNKIBLOBM-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(C(=O)OC(C)(C)C)CCCCCC2)C1=O 1461332007 CPSZZBLHGWZIKH-UHFFFAOYSA-N 407.467 1.514 30 10 HDEE C=CCN(C(=O)Nc1nc2cc(Br)ccn2n1)[C@@H]1CCS(=O)(=O)C1 1466587661 HPRWCEPWGKTAGI-LLVKDONJSA-N 414.285 1.699 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cs1 1467735343 BQKIGQYNOGPETC-DAXSKMNVSA-N 423.491 1.706 30 10 HDEE C=CCc1cc(CNC(=O)N[C@H]2CN(C(=O)OCC)C[C@H]2CO)cc(OC)c1OC 1468363621 UTYAMVPVHWECHL-IRXDYDNUSA-N 421.494 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 1470401410 SKJWCSZMBNMFEW-SFHVURJKSA-N 420.512 1.550 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 1472305186 HAXWNAQSNRQCNM-RYQLBKOJSA-N 405.520 1.890 30 10 HDEE CC1(C)C[C@H](SCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CO1 1473065629 LGCKCORHXPHFDS-INIZCTEOSA-N 423.560 1.692 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 1475261768 ODPNCRLTZGUFGV-UHFFFAOYSA-N 415.924 1.784 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1)C(=O)OCC 1475579081 OFWPITSCZJNRNQ-GFCCVEGCSA-N 413.876 1.582 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OCCC)cc2C)CC1 1478424037 WWEZXUQJUFYDCG-UHFFFAOYSA-N 408.524 1.079 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC(C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1484139316 HZJOKSGXFBYHBO-GJNTUIEKSA-N 402.539 1.390 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1505124762 WUWXCQINUKCSLD-ZWKOTPCHSA-N 413.503 1.785 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@@]2(O)CCSC2)c1 1505316378 BPSTVRCDESNQAF-SFHVURJKSA-N 403.533 1.253 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1507698414 VBJJIEOAXSMMMU-UHFFFAOYSA-N 412.513 1.632 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC)CC1 1507798669 HKHSKGZKFXADIY-SJLPKXTDSA-N 411.510 1.679 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507885037 QAPBVKMABQCWDD-LSDHHAIUSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1508097322 HSTIWNLHFKIUHF-UHFFFAOYSA-N 408.510 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508143805 KLVNHNPNYJPNGY-MRXNPFEDSA-N 419.551 1.868 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N(C)C)CC1 1508154516 XUNKCIUBRSPVQC-UHFFFAOYSA-N 403.556 1.403 30 10 HDEE C=CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1508167427 IZPYWMHCMJPLSV-PMACEKPBSA-N 423.583 1.812 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2sccc2C1 1516606768 BSPNYRCSDRJUFL-INIZCTEOSA-N 402.524 1.663 30 10 HDEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519077071 WTMHDRUOSCJXEW-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCC1(O)CCOCC1 1519256433 DLGXCWJSGWCXLW-MRXNPFEDSA-N 407.515 1.674 30 10 HDEE N#Cc1cccc([C@H]2CN(c3nnc(C4CC4)n3CC(=O)NCC(F)F)CCO2)c1 1521082422 GDROXMKBNVJEJK-MRXNPFEDSA-N 416.432 1.986 30 10 HDEE C=CCN(CCOC)C(=O)c1ccc(I)cc1-n1cnnn1 1531219448 CCFPLDJXKMOXHW-UHFFFAOYSA-N 413.219 1.542 30 10 HDEE C#CCOCCC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536174351 QVRLCWMJQSOYSR-JRHPMUGDSA-N 400.519 1.679 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539220507 KBEHNBFGKSZGAZ-DLBZAZTESA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539222548 WHTIJJSGXQHWQE-YJBOKZPZSA-N 405.568 1.655 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1539230855 MBSCXEZYCVJDCC-UHFFFAOYSA-N 406.490 1.239 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COCC2 1539272801 BRLCBTHZBZITQW-UHFFFAOYSA-N 403.486 1.594 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1539446608 HCBINVGRVSJEDO-VZCXRCSSSA-N 423.521 1.217 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1OC 1539563811 QDSAMALRFNLRPB-CSODHUTKSA-N 401.511 1.444 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)CC1 1539828402 JQBYUDCTVGSBRP-HZPDHXFCSA-N 419.555 1.819 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540026957 NFYWOLXGCQBOMI-CVEARBPZSA-N 400.483 1.811 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1540869866 ZAPHBWMYKMVOSR-KRWDZBQOSA-N 424.505 1.019 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC2(CC1)CNC(=O)C2 1540873072 LRSVMZUFSZBRCY-UHFFFAOYSA-N 414.535 1.339 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@H]2C[C@H]1CO2 1540904075 IVSMHXQPHRKSAB-HOTGVXAUSA-N 408.549 1.899 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1540916867 INRIIDAVUJSLDM-MRXNPFEDSA-N 414.597 1.962 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1541089040 SCNBPNOYPULQAH-KRWDZBQOSA-N 405.462 1.748 30 10 HDEE CCOCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1548263100 VBYGCMMEGIPUOJ-QGZVFWFLSA-N 403.531 1.410 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C[C@H]1OC 1555788210 ZORMGNHRCVGWOU-BGYRXZFFSA-N 408.506 1.929 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1 1556617417 VSXZRPNJACOIJW-VQIMIIECSA-N 414.487 1.924 30 10 HDEE C#CCC1(NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCOCC1 1558419083 WGDMOGCVGDZYDQ-SFHVURJKSA-N 416.474 1.923 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)nn1 1561820026 SHPXHLFFIKDYIN-UHFFFAOYSA-N 409.899 1.452 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 1566209836 OZFHLJDSIUOOFT-PJSUUKDQSA-N 406.483 1.130 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CC)Cc2c(CO)cnc(C)c2O)cc1 1570322003 MCMQAARHNHXHFP-UHFFFAOYSA-N 419.503 1.715 30 10 HDEE CO[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCOC1 1584224459 PSTGZTLIOCQOPD-SQDOKRSFSA-N 407.511 1.941 30 10 HDEE COc1cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2cc1OC 1585139305 VVBYSMLTMAZVKJ-JXFKEZNVSA-N 400.456 1.867 30 10 HDEE COC(=O)[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccnn1C 1585890203 YRYSDELSSMXUNV-HIFRSBDPSA-N 407.471 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1587661372 AMCDQPPGOHKAQN-QGZVFWFLSA-N 416.570 1.748 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1587897947 AGUOOSFNZXHZPM-UHFFFAOYSA-N 410.522 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CCS(=O)(=O)C1 1587926980 OGGNWUJVXOOCDQ-HNNXBMFYSA-N 410.503 1.839 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589449412 DGRSGYYYZNYYIJ-GFCCVEGCSA-N 407.334 1.737 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1595251394 SFDLYDDBBDOAOE-HNNXBMFYSA-N 407.496 1.102 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)Cc1cnn(C)c1 1595784427 FVUDZCMSPGIVRL-UHFFFAOYSA-N 415.523 1.701 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1598167835 QBEDXIDHTBPFKZ-WDUKFBBWSA-N 401.463 1.478 30 10 HDEE Cn1cc(-c2nc3n(c2NC(=O)CNC(=O)c2ccc(C#N)cc2)CCCC3)cn1 1603409943 DTGJCLXSXNXMCR-UHFFFAOYSA-N 403.446 1.860 30 10 HDEE COc1ccc(-c2nc(SCC(=O)N=[S@@](C)(=O)N(C)C)nc(O)c2C#N)cc1 1613307736 HEJVKPHVKDRAND-MUUNZHRXSA-N 421.504 1.923 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1615888676 LFVKATQZKOJEGF-RTBURBONSA-N 403.575 1.938 30 10 HDEE CCOCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1616955024 DOIKTTLUEAJZTO-MGPWXQLLSA-N 418.498 1.345 30 10 HDEE C[C@]1(C#N)CN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CCO1 1617895775 SKJDPRPKBCPZIK-HNNXBMFYSA-N 401.282 1.505 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)=NO2)C1 1618008316 VAHRGHACXWMESS-FQEVSTJZSA-N 418.450 1.578 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCSCC1 1620385260 SLAJWPSFHYILHB-FBMGVBCBSA-N 411.491 1.420 30 10 HDEE CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 1622012162 FTHMVYAAZUAIAG-UHFFFAOYSA-N 403.501 1.346 30 10 HDEE C=C(C)CS(=O)(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1622206649 TXMJACUTTOHOOJ-UHFFFAOYSA-N 406.551 1.373 30 10 HDEE Cc1ccc(C(=O)NCC(=O)NCC(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1626050946 WTBQVDDEOKTDAT-UHFFFAOYSA-N 400.206 1.703 30 10 HDEE C#CCN1CCCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CC1 1629536907 IKJMEHQQZHBFDU-UHFFFAOYSA-N 412.490 1.361 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1631740792 MQKFMWBUJKCUJG-SWLSCSKDSA-N 414.325 1.697 30 10 HDEE COc1ccc(CN(CCO)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1634107896 HPAKUUKFXRLZCT-SJLPKXTDSA-N 418.494 1.958 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC 1634251345 NDSDSJCVZQMHBL-HUUCEWRRSA-N 414.462 1.623 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCN(C)C)CC2)c1 1634647522 IZMJSUUHDASMSU-UHFFFAOYSA-N 419.547 1.014 30 10 HDEE COC(=O)c1oc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C 1635150699 YHFMLYDIJBETME-GFCCVEGCSA-N 419.459 1.508 30 10 HDEE C=CC[C@@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1636893914 RQIIZQORSKBTNM-QGZVFWFLSA-N 423.510 1.616 30 10 HDEE C=CCn1cc(CNC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)nn1 1638491904 VMVQGUWKSJJMAV-LJQANCHMSA-N 404.471 1.626 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)O2)[C@H]1C 1638604600 DFNWUEQIKJMPAV-UJKGCTCZSA-N 421.519 1.204 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)C[C@@H]2C)cc1 1638673155 WYSYRFBLFPNBDH-INIZCTEOSA-N 400.504 1.897 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3cnc(O)nc3)C2)C1 1638991450 HNGFJMXQRNWNOC-RDYUPDBUSA-N 401.467 1.628 30 10 HDEE N#CCc1cccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)n1 1644419919 CPDNNFIFYINCRU-UHFFFAOYSA-N 416.459 1.616 30 10 HDEE COc1ncc(NC(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cc1C#N 1644426320 AESMYJJMXRRQAP-JXJLXUTGSA-N 422.363 1.886 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ccccc3OC(F)(F)F)C2)c(=O)nc1O 1648028765 MVWKFGVCNPKTCN-UHFFFAOYSA-N 408.336 1.735 30 10 HDEE C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648501139 YESUFFOOTBJERM-XMZIXOGTSA-N 412.855 1.445 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCC12CCOCC2 1648937556 GHVBZJSLXKKNBS-OAHLLOKOSA-N 405.520 1.828 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c1=O 1651267712 FYIPTCMTBSQHEM-UHFFFAOYSA-N 415.413 1.479 30 10 HDEE N#Cc1cnnc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1 1651330071 DFZHUHHJCUGQPP-UHFFFAOYSA-N 414.310 1.683 30 10 HDEE C=C(C)COCCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1660849582 UYBYAOPZIIIRRM-ZWKOTPCHSA-N 412.508 1.535 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)c1ccccc1 1670383851 SURBHBXTVVNCEU-IBGZPJMESA-N 414.483 1.948 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 1672951580 AFXGUAHBGHYVPY-ZWKOTPCHSA-N 403.479 1.868 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)CC2)CCOC1 1683424484 DIGWKSFBSATXDD-SIKLNZKXSA-N 412.490 1.595 30 10 HDEE COCCNC(=O)C1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1684480736 RGGWCAMOUSEXOH-UHFFFAOYSA-N 413.522 1.711 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)nc1 1685094199 SGLIGRUWJOUQFU-XFYFCPPXSA-N 417.535 1.895 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)CC1 1686393696 IDLPXTIBEJLJCU-HNNXBMFYSA-N 417.457 1.714 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3c[nH]c4c(Cl)cccc34)C2)c(=O)nc1O 1687210963 VIAFNDTYTHQMAY-UHFFFAOYSA-N 412.837 1.764 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(=O)C(C)C 1689950776 ATVCXMREXJCVKB-UHFFFAOYSA-N 417.535 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccc(Cl)c1 1690015384 KPVHVMBDCAQOGA-LAUBAEHRSA-N 411.893 1.863 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccs2)CC1 1690113308 GGHHERXHPNEHFC-HXUWFJFHSA-N 401.536 1.795 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCc2ccc(OCCN(C)C)cc2)CC1 1690125857 PVJMIHLDENETGV-UHFFFAOYSA-N 410.566 1.779 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncccc1N(C)C 1690609195 GXRGGBSPOCYPJP-UHFFFAOYSA-N 413.526 1.662 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1690646099 GWGBPWBEPCODEJ-GHTZIAJQSA-N 423.565 1.829 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1694120036 FWFIYAFANMSKIL-KSFYIVLOSA-N 422.537 1.863 30 10 HDEE CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1695551918 METOVBXHAHWLRJ-HUUCEWRRSA-N 419.507 1.698 30 10 HDEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCCO)CCN2C1=O 1696876374 JFJZNJURBNENSG-IBGZPJMESA-N 423.521 1.925 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698486832 SKSMFVJROJTSTC-OAXATVFMSA-N 415.429 1.098 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1698492664 DYSNKAPTZPGMMT-QGZVFWFLSA-N 401.492 1.499 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1705515336 AVNMGHJQIWLBOX-IRXDYDNUSA-N 400.527 1.726 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705566290 MXCPZJLVUCRGAM-LJQANCHMSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC(C)(C)C1 1705571588 CFPYMEFLSBINJP-UHFFFAOYSA-N 414.554 1.380 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(OC)nc1OC 1705584565 POEPYGZSNMFYCG-UHFFFAOYSA-N 402.458 1.797 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1705613146 WLOMYXNPMPKDFA-CQSZACIVSA-N 424.473 1.997 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCCS1 1705629079 WSPDEPNTAXAEBS-MAUKXSAKSA-N 412.581 1.552 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCn2ccnc2C)CC1 1705634421 VBBNNGAGAQTJRY-UHFFFAOYSA-N 405.506 1.914 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@H]1C 1705658952 GNXZXSIWUJKXCT-CYBMUJFWSA-N 416.507 1.039 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(N)=O)C1 1705708253 ZYFFHXJOOGQQSN-ZBRFXRBCSA-N 419.526 1.295 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705724779 OTYINYWTWBMJSJ-LSDHHAIUSA-N 413.478 1.876 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2nc(C)no2)CC1 1705769062 HVQPNZRKGCDFEM-HNNXBMFYSA-N 406.512 1.661 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1705930065 DQCZTROCURJEFB-UHFFFAOYSA-N 423.514 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(C2CCC2)CC1 1705932600 WOKWCLZYCVMFMO-UHFFFAOYSA-N 416.551 1.615 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)CC1 1706937277 HVFODOIQZZSWHE-JKSUJKDBSA-N 405.524 1.655 30 10 HDEE C[C@@H]1N(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1(C)C 1708275025 XXRCUJOGWYVVTO-KBPBESRZSA-N 419.507 1.697 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1710066032 ASFQJFKBXJGZPU-YLJYHZDGSA-N 408.522 1.972 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1711155221 WRPFTZNTGFLWNK-HUUCEWRRSA-N 419.507 1.556 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1711397789 BXUKFLCTNPRMFZ-QGZVFWFLSA-N 405.466 1.386 30 10 HDEE COCCN(C)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1712422754 DJQJQVWFXCWSKF-FQEVSTJZSA-N 416.457 1.694 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)C1 1712876801 UXHYXYQQALVJFH-LJQANCHMSA-N 411.466 1.915 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CC(=O)N[C@H](C)C(C)C)CC1 1716808183 MGGPSXPTDPSHJY-UCTAPSKPSA-N 401.551 1.497 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1722335130 BIFBKPDAACWBFP-HZPDHXFCSA-N 424.509 1.040 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccn(C)n1 1722423934 UYCAPXZXPMYNAS-UHFFFAOYSA-N 408.462 1.584 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1722432066 RWQCYJGNYPJDTM-UHFFFAOYSA-N 405.510 1.355 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)CN2CCCC2)CC1 1722436673 KPQHYFGVHPGYLZ-UXHICEINSA-N 400.571 1.659 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCSCCCO)CC1 1722559680 FBTZEURLQGTMKQ-AWEZNQCLSA-N 403.574 1.160 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2snnc2C)CC1 1722583159 QSRGELXXJKKMJF-AWEZNQCLSA-N 408.553 1.791 30 10 HDEE C=CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722606814 IDLYUGRGYRMEIQ-SFHVURJKSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1722702557 POPOBDQFJKHRIE-GOSISDBHSA-N 424.505 1.894 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1729722813 AUVTZTOPCYCKFE-GOSISDBHSA-N 412.494 1.726 30 10 HDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1730285544 OKICJOTYDPRANS-OAHLLOKOSA-N 422.493 1.827 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1730413541 NAZPKVSOKZUXLY-BHYGNILZSA-N 418.523 1.414 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1730875760 MGZXCSYQYJYRJC-QZTJIDSGSA-N 420.558 1.853 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC(=O)NCc1ccco1 1740630863 MTUFDVNDLXTTEX-UHFFFAOYSA-N 403.442 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740636792 DCLXXFNOORVJCW-OAHLLOKOSA-N 403.412 1.692 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(C)=O 1740646700 IOROFMOYGFCGTQ-OAQYLSRUSA-N 401.511 1.308 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1740669567 CRXYJACRSFLEHL-DLBZAZTESA-N 411.497 1.988 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740742912 GHHPGNGKIGLPBK-UWVGGRQHSA-N 424.221 1.905 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)C(=O)C1 1740749792 FFPUHOOQVLMBEG-CRAIPNDOSA-N 416.526 1.209 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(CC)CCS(C)(=O)=O 1740756279 GQEBUQVPMUXAHI-WBVHZDCISA-N 420.539 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](C(N)=O)C1 1740759273 HQCGMCIPFKEHGS-NSHGMRRFSA-N 410.522 1.947 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1740848800 RLZBDIQWUGNIFD-OAHLLOKOSA-N 411.572 1.743 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1740902737 XPTDUISNHZDGKY-LJQANCHMSA-N 409.538 1.986 30 10 HDEE Cc1noc(C)c1CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1742870911 HJSLQORDZKZVGT-CYBMUJFWSA-N 407.482 1.811 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ncnn1C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1748802138 LSMFBKAPQLWULU-HNNXBMFYSA-N 419.555 1.423 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)N(C)C)CC1 1748994841 UBWJGEFPYJAUAW-IBGZPJMESA-N 410.566 1.777 30 10 HDEE C#CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749049295 HUNZMXXDPNJGIG-VQTJNVASSA-N 422.551 1.292 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749189610 MOQYVOHPZRKDAQ-ZWKOTPCHSA-N 402.543 1.839 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749620674 JXXWTVBVFNWHLW-INIZCTEOSA-N 410.522 1.929 30 10 HDEE N#CC1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1750385262 HMIBOSZALLJIKO-UHFFFAOYSA-N 410.569 1.274 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nccnc1C 1760193523 HVDZQQHBZZRTAC-UHFFFAOYSA-N 400.446 1.339 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccco1 1760208834 KSGVPZCSFCIRRF-JOCHJYFZSA-N 418.457 1.889 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CC(F)(F)CO2)CC1 1760271683 GVZQXIAZQIZNQK-MRXNPFEDSA-N 407.465 1.621 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760345526 FUTBUAVLSPZKJE-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCCCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCNC(=O)C1 1760443203 PKEFULXMJINDSQ-UHFFFAOYSA-N 423.565 1.545 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1760499527 AUIBZWPICWAHAM-UHFFFAOYSA-N 423.477 1.422 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](COC)C1 1760551624 MIXMXCUQOCRDNM-OAHLLOKOSA-N 410.496 1.299 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C(C)C)N1CCOCC1 1761194904 HVKRSOWHHINCGP-IAGOWNOFSA-N 405.547 1.511 30 10 HDEE CCN(CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1765276164 VNLFDJWHRXUSGT-RXVVDRJESA-N 420.558 1.778 30 10 HDEE CC/C=C/Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765338931 PYASMEIQJFNYCF-VOTSOKGWSA-N 420.525 1.885 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1767508505 QKVKJNNMVLCQHA-UZLBHIALSA-N 414.441 1.203 30 10 HDEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CCN2C1=O 1769053776 GLMXOBACZWGJMX-QGZVFWFLSA-N 409.494 1.534 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1769277201 XKJFLDUMRXOFPP-DLBZAZTESA-N 413.457 1.357 30 10 HDEE COC[C@H](F)Cn1c(N2CCN(c3c(C#N)c(C)nn3C)CC2)nnc1C(C)(C)C 1769290553 HCFAQGFWQKYRJX-OAHLLOKOSA-N 418.521 1.800 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1769477533 KLYKCOCVSRTIHD-OAQYLSRUSA-N 423.477 1.183 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@H]1C 1769896015 FACODJNEIFEBMA-ZWKOTPCHSA-N 411.554 1.924 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)C1 1771530617 PKEMLNKULBXFLF-GOSISDBHSA-N 415.408 1.515 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CC(Oc4cccnc4C#N)C3)cc2C1 1849716267 ZEIJMOYPGPTPJY-UHFFFAOYSA-N 412.471 1.310 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)N(c3ccccc3)c3ncc(C#N)cn3)CC2=O)CC1 1851890016 VPONYAJAKJCXLE-KRWDZBQOSA-N 404.474 1.956 30 10 HDEE CC(=O)N1CCN(CC(=O)N(C(=S)N=CN(C)C)c2ccccc2Cl)CC1 1852534256 NYUOTTNFKBSGDE-UHFFFAOYSA-N 409.943 1.712 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1853789756 NNNDTPRCCBDUCZ-PKOBYXMFSA-N 400.523 1.921 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1=O 1853828854 PEVQWFMBSGPEOH-IAGOWNOFSA-N 415.490 1.554 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2cc(OC)ccc2OC)C1=O 1854176613 YVJHNCFMNQLSMV-ROUUACIJSA-N 415.490 1.093 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CSc2ccc(F)cc2)C1=O 1854226201 GLDQUZOFTKAUAI-IAGOWNOFSA-N 405.495 1.764 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CCCN3c3ccccn3)C(=O)C2)c(F)c1 1854238986 BLHQTCWZAXHHTK-LJQANCHMSA-N 407.449 1.932 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1854357340 XNJYEJQUZWHKSJ-IRXDYDNUSA-N 407.467 1.419 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1C[C@H]1CCS(=O)(=O)C1 1854360347 MAFCNVJRXIBOTD-GOSISDBHSA-N 417.531 1.375 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)CN2CCC(F)(F)CC2)CO1 1854777094 UFBMMLLCLXWGMQ-CQSZACIVSA-N 415.418 1.137 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)COc3ccc4c(c3)OCO4)C1=O)CC2 1855022440 AMDGULAHNOHBBY-RDJZCZTQSA-N 411.458 1.937 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCN(c4ccnc(F)c4)CC3)C2=O)ccn1 1855406190 KXRNTEDUELOQRP-SFHVURJKSA-N 408.437 1.441 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)CC1=O 1855546373 GRYBKDOAAPKJCK-GDBMZVCRSA-N 417.893 1.617 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2=O)CC1 1855909116 HGBGUJCXDCQYDX-RBUKOAKNSA-N 411.506 1.552 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856399590 PLQMGUHIIPXQNG-OAHLLOKOSA-N 408.462 1.056 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@H]1CCN(C)C1=O 1857046247 RADQQNFJMGPBKM-ZFWWWQNUSA-N 422.888 1.972 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@@H]1CCN(C)C1=O 1857053908 XVSHULIZOGYDGG-FUHWJXTLSA-N 414.506 1.496 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN([C@H]3CCCCC3=O)C3(CCCCC3)C2=O)CC1=O 1857117474 PRTAXSQMGCJNDV-ROUUACIJSA-N 415.534 1.906 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)C1=O 1857507616 ZWZOKMDHQVNFFT-MSOLQXFVSA-N 403.504 1.670 30 10 HDEE CN(C(=O)c1cccc(C#N)c1)[C@@H]1CS(=O)(=O)C[C@H]1S(=O)(=O)c1ccccc1 1858192995 BHLKNWNRSKMIMO-QZTJIDSGSA-N 418.496 1.270 30 10 HDEE CC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)n3ccccc23)CC1 1858242071 PAMSKMOTEMWHMA-UHFFFAOYSA-N 416.441 1.763 30 10 HDEE CCS(=O)(=O)Nc1c(C#N)nnn1-c1ccc(I)cc1 1870098323 YRARZRYHRIOXER-UHFFFAOYSA-N 403.205 1.505 30 10 HDEE CCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)cccc1OC 1874433894 CLXBMJCZGIIKCP-AWQFTUOYSA-N 421.479 1.469 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CCN(c3ccnc(N4CCCCC4)n3)CC2)c1 1889635016 XNLDNAKWCFKAPS-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1897681896 CJENYGVWBUJTNB-ILXRZTDVSA-N 424.498 1.328 30 10 HDEE COC1(CCNC(=O)OC(C)(C)C)CN(S(=O)(=O)N2CCC(C#N)CC2)C1 2174783587 DPMWTNZUOOFIFC-UHFFFAOYSA-N 402.517 1.082 30 10 HDEE CO[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)N(C(=O)OC(C)(C)C)C1 2174785633 BCHWESWZIIQPRC-GJZGRUSLSA-N 402.517 1.081 30 10 HDEE CC[C@@](NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(C(=O)O)C(F)(F)F 2180572310 MPKVAEMIOCOZSL-HTQZYQBOSA-N 406.201 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCc2sccc2[C@@H]1CNS(=O)(=O)N1CC(C#N)C1 2193988350 FOHWHKKYAIVSFV-AWEZNQCLSA-N 412.537 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2243388973 PBSMGWPNFLIJPW-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE C[C@H]1[C@H](NC(=O)C(F)(F)F)[C@H](C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243392400 IFCCISBZDSMQDQ-MBNYWOFBSA-N 402.222 1.925 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243587421 HIGOPIGJTYLRTH-HJWRWDBZSA-N 406.292 1.520 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2245257707 DIXMNZZRYQTEMU-JJGIJDNGSA-N 410.320 1.908 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2247896555 ZORNGRCOFIMBNL-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE Cn1cc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247919516 WBHGIUOTNMPLPW-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247920609 AESPGHFUMNGAFV-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@@H]1CCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2258167088 DUXXMDHBKRIBMH-BZUAXINKSA-N 409.464 1.066 30 10 HDEE C=CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2258171426 YJOPZEYLRVYBNC-MRXNPFEDSA-N 410.492 1.873 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](O)[C@@H](F)C3)cc2Cl)OC1(C)C 2267417693 YGDGXOFFHUFOMY-UWVGGRQHSA-N 411.713 1.404 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282018344 WBUWEIOLYSJPBZ-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE C[C@@H]1CCN[C@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282303784 AUYOQIQIRJHSPY-PWSUYJOCSA-N 420.793 1.977 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@H](N)C1 2282326454 SKUGRMBBYXZCAY-STQMWFEESA-N 400.375 1.761 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333526 PXFDWBMZKXOLSY-SHZVTRLKSA-N 401.359 1.421 30 10 HDEE Cn1ncc(Cl)c1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333779 SPVQGNWAUXPQKA-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CCOC(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OCC 2282419208 NRWKUTPRSHKMPK-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE CC[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2282502627 NWHQMUOZLOYENZ-LBPRGKRZSA-N 404.363 1.411 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCOC(=N)O)c(Cl)c2)OC1(C)C 2282506400 RPIPHSDGYVFMRF-UHFFFAOYSA-N 404.681 1.427 30 10 HDEE C[C@@H]1CC[C@H](N)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507909 NTSOQVMVAAQOON-OCCSQVGLSA-N 400.375 1.689 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H]3C[C@H]2CO3)OC1(C)C 2282834165 QCPBUZOQDAPWGP-RYUDHWBXSA-N 400.331 1.135 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282835101 PKCXVOIIPOUOGP-NWDGAFQWSA-N 404.338 1.334 30 10 HDEE C[C@H]1[C@H](C)CC(=O)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282841243 TXDQIHAPHQNMAQ-MNOVXSKESA-N 400.331 1.529 30 10 HDEE COC[C@@]1(F)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282857821 NHVKGZZBBGFPFI-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE COC[C@@]1(C)C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284686368 YHBFOMOOAVVQLK-YVEFUNNKSA-N 401.359 1.998 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@H]1NC(=O)OC(C)(C)C 2300230838 PGRVDUREJUDEKJ-CHWSQXEVSA-N 420.319 1.505 30 10 HDEE CCOc1c(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cccc1OC 2330770381 CLXBMJCZGIIKCP-UHFFFAOYSA-N 421.479 1.469 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(NC(=O)OCc2ccccc2)C1 2346565951 CBRXAYKWAUNUHY-OHTSDLOESA-N 422.503 1.574 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CS(=O)(=O)[C@H]4C3)sc2Cl)OC1(C)C 2361658857 PGGPHJACQZNWKB-SKDRFNHKSA-N 417.745 1.570 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363698433 AUSPZUHEZHHKKV-HUUCEWRRSA-N 413.565 1.815 30 10 HDEE CCc1csc(C#CC(=O)[C@@H](O)c2nn(C)cc2I)n1 2363917597 HSXUIDIJMCZNAB-CYBMUJFWSA-N 401.229 1.698 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C(C)(C)C 2365171718 NKKMMKKUDKCMKL-LIRRHRJNSA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365207058 LEZYANFRMAPFLD-INIZCTEOSA-N 401.573 1.377 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365208072 BUAHXQDEBBCJEY-YHUYYLMFSA-N 400.541 1.555 30 10 HDEE CN(CC[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)C(=O)OC(C)(C)C 2367787917 MKEFUHFDIGKCHY-AWEZNQCLSA-N 403.497 1.684 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367801368 RETXDJHBIQVVKQ-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831731 UDCZNXZGUGHEMD-QAPCUYQASA-N 402.557 1.730 30 10 HDEE Cc1cc(Br)cc2c1N([C@@H](C)C(=O)Nc1c(C#N)cnn1C)C(=O)C2=O 16893376 IQVFFSMNMZPLNY-VIFPVBQESA-N 416.235 1.919 30 10 HDEE CNC(=S)N/N=C1\C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 59159001 IPJAKJICSFJWFA-JWGURIENSA-N 407.455 1.127 30 10 HDEE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 97654869 NBOIQCGHZGTMFI-ZBTAVZRMSA-N 407.492 1.483 30 10 HDEE COc1ccc(OC)c([C@@H]2/C(=C(/C)O)C(=O)C(=O)N2CCCN2CCOCC2)c1 102436859 AWOWYDOPKVMSQJ-YWXUCKCNSA-N 404.463 1.711 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 102743181 QLNTXUSIZMACOQ-LYHOESIGSA-N 414.462 1.764 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccco1 103123099 VZRPVMWHCJBGIM-CFBLSMTOSA-N 402.359 1.618 30 10 HDEE COCCN1C[C@H](C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)CC1=O 170509360 YDLVISRVHDQWIZ-OAHLLOKOSA-N 404.430 1.726 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](ON(CCC(N)=O)[C@H]2c2cccc(C#N)c2)C1=O 252017303 WHBOYFHYJAJQDA-AKQDLLBKSA-N 418.453 1.837 30 10 HDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 430509178 NEOJKTLGTKAKES-GOSISDBHSA-N 404.430 1.625 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446634370 CUBXHDBAGVJNNU-AQFXKWCLSA-N 421.523 1.366 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447775298 CPQSJRBWMSXWDA-UHFFFAOYSA-N 417.494 1.063 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 470453992 RJNMRSQOOXSFMR-CYBMUJFWSA-N 410.455 1.716 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 474062356 CJFNCUUYQVNROT-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@H]1CCCO1 478747792 QGYULYUBDJCOSF-MRXNPFEDSA-N 414.531 1.594 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)CC(C)(C)O3)CC1 486473622 FPWYUPWXGKBTHB-UHFFFAOYSA-N 400.479 1.882 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 505132002 VLYYPJFBMMMTBJ-UHFFFAOYSA-N 415.471 1.898 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H]2C(=O)Nc2nccs2)CC1 512456841 PBKFXLGOVVXYQC-HOTGVXAUSA-N 404.540 1.238 30 10 HDEE Cn1c(=O)nc(O)c2c(C(=O)NCCOc3ccc(C#N)cc3)cc(C3CC3)nc21 524672324 ZURCECZBTQXDMG-UHFFFAOYSA-N 405.414 1.592 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2)o1 525995783 LCBDFJRWGXESBX-MRXNPFEDSA-N 413.453 1.671 30 10 HDEE CCO[C@H]1C[C@@](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 530290782 SXFGCHHDTAJZGX-HRAATJIYSA-N 418.494 1.934 30 10 HDEE CCOc1ccc(NC(=O)Cn2ccnc2C#N)cc1S(=O)(=O)N(CC)CC 535517985 YBAXGSCQQQWOFG-UHFFFAOYSA-N 405.480 1.823 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 537152877 XCWQPOQYBICKNJ-INIZCTEOSA-N 400.508 1.550 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 539114107 UEVYRZKHWXITFX-UHFFFAOYSA-N 413.452 1.426 30 10 HDEE COc1cc2nc(CN3CCN(c4cccc(C#N)n4)CC3)nc(O)c2cc1OC 545504978 HWAVGULIWPNKOK-UHFFFAOYSA-N 406.446 1.941 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 549530509 OUQFHDXIEALTNZ-SJLPKXTDSA-N 421.519 1.176 30 10 HDEE C=C1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)CC1 558408294 BECLRQNEFHGNEE-UHFFFAOYSA-N 407.536 1.814 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 559004586 YJMOKFREVGFBMR-UHFFFAOYSA-N 412.538 1.977 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)CC1 565675285 QHPZOHUJCIIVCX-UHFFFAOYSA-N 402.495 1.075 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 573937929 ZNJLKJZPROFWFI-FQEVSTJZSA-N 418.519 1.920 30 10 HDEE COc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 574864155 SKPIUPGRFCTKGH-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CNc1ccc2c(c1)CCC(=O)N2CCCC#N 582578193 SPFPEMHUVHFTJC-UHFFFAOYSA-N 416.507 1.733 30 10 HDEE C#CCn1nc(CNC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c2ccccc2c1=O 585170502 HYCUTQRZZJPLLR-UHFFFAOYSA-N 422.397 1.885 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603797974 HLWOZOJNHDRXMA-QGZVFWFLSA-N 409.511 1.214 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCCN1CCCS1(=O)=O 608793853 NEZLUQAFFBXTGT-UHFFFAOYSA-N 407.540 1.057 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 611029228 JZKQFTLQXCJIPE-UHFFFAOYSA-N 411.443 1.386 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 611553429 CPUDPKNKCPBNOE-LJQANCHMSA-N 409.508 1.614 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCC2CS(=O)(=O)C2)nnc1-c1ccco1 682538553 AWTYSBNMWQVVBQ-UHFFFAOYSA-N 410.521 1.757 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)c(C#CCO)c1 703969859 MMZYKQSMMLVMNI-UHFFFAOYSA-N 402.403 1.207 30 10 HDEE COc1ccc(CN2C[C@@H](COS(C)(=O)=O)[C@H](C(=O)OC(C)(C)C)C2=O)cc1 725238761 YWSXETBADWNIGN-HOCLYGCPSA-N 413.492 1.588 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CN3CCOC3=O)cc2)CC1 735862241 DCZVHPBCBFWIRT-UHFFFAOYSA-N 401.467 1.091 30 10 HDEE C[C@H](CC(=O)N[C@H]1CCN(CC(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 742598835 PVCRCWFXAIVVAH-NEPJUHHUSA-N 418.441 1.257 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(C#N)c3)cc2C1=O 746529525 ANGDPKWWGKRSLU-UHFFFAOYSA-N 403.394 1.813 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 747382158 TXIFDVSUZGQGSY-ZMEGLIOTSA-N 410.521 1.359 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)COC(=O)c2ccc(C#N)cc2C)ccc1C 748401841 AKBKBMCLMPYPNV-UHFFFAOYSA-N 401.444 1.879 30 10 HDEE C[C@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 749212143 FUVSDSKYROWANI-GTMGWDBPSA-N 405.484 1.301 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)Cc1cccc(C#N)c1 750433541 BIKKZFODAQOVOO-CYBMUJFWSA-N 413.455 1.269 30 10 HDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757385869 QWKJUMWNAJWSAK-VQTJNVASSA-N 422.437 1.479 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)cc1 763225084 XVIDSWBOQLPHDQ-UHFFFAOYSA-N 410.455 1.949 30 10 HDEE C=C(C)Cn1c(-c2ccncc2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 764992118 CQQKYQBATQANBT-OAHLLOKOSA-N 408.553 1.633 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 766161771 OEGIGUTWBHCXFI-CQSZACIVSA-N 421.519 1.696 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 767679753 IMEBHUIJRCREHX-CYBMUJFWSA-N 413.496 1.270 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 773575379 LPWLALDKESVKGJ-JYJNAYRXSA-N 415.498 1.435 30 10 HDEE C#CCN(C(=O)Nc1c(C)cccc1C(=O)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774033679 QONOOFDVYQUXTH-MRXNPFEDSA-N 403.504 1.885 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)N2CCCC2)ccc1OC)[C@@H]1CCS(=O)(=O)C1 774041104 YIHBWESHQVRBPL-MRXNPFEDSA-N 419.503 1.585 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)c1 779558845 IEQRWFGQEGDPMI-UHFFFAOYSA-N 424.486 1.497 30 10 HDEE COc1cc(OC)c(CNC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c(OC)c1 780203510 CDRRWKZLOPICHF-HXUWFJFHSA-N 414.414 1.477 30 10 HDEE C=C(C)CNC(=S)/C(=C(/O)c1cnn(C)n1)[n+]1cc(O)cc(Br)c1 789392898 KIGOIYVFNMKUSM-UHFFFAOYSA-O 411.305 1.948 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nc(N3CCCC3)ncc2Cl)n1 790104409 AEEBEAHBFYONEN-UHFFFAOYSA-N 402.886 1.849 30 10 HDEE COc1cnccc1N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 794702516 XTXJUZIMGFPONV-QFIPXVFZSA-N 420.473 1.509 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)n1cnc(C#N)n1 798389543 ZLMSGMYCPYQWNS-ZDUSSCGKSA-N 408.384 1.954 30 10 HDEE CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(C#N)n1 798745092 PSNMJTQAGJBTJW-KBPBESRZSA-N 412.450 1.302 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC(F)(F)F 799832966 IYUHQIQEOLQDQX-CQSZACIVSA-N 407.352 1.594 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)n1cnc(C#N)n1 800608901 QCZRIIMPDVWISW-ZBFHGGJFSA-N 411.466 1.926 30 10 HDEE C#CCN(C(=O)NCCCNC(=O)/C=C\c1ccccc1)[C@H]1CCS(=O)(=O)C1 800760155 XNSYZTGAPFYJEA-LPADLIQXSA-N 403.504 1.038 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)cc2)=NO1)[C@H]1CCS(=O)(=O)C1 802371648 WORFLYZCNVGJPP-RDJZCZTQSA-N 405.476 1.020 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 809926749 RIEQKQFQXKONBB-JKSUJKDBSA-N 423.514 1.624 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@@H](O)Cc3ccccc3)CC2)o1 811404760 HHFYWCBCLJKEKX-KRWDZBQOSA-N 412.446 1.040 30 10 HDEE CCOCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916869632 YGTXWZBMNNRLBU-IEBWSBKVSA-N 417.481 1.858 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cn1 1084612239 POISLDDMYTVBCG-UHFFFAOYSA-N 404.485 1.008 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2=O)cn1 1127911980 SRCATOAIVVJFAR-LPHOPBHVSA-N 420.473 1.347 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H](CC(N)=O)c1ccccc1 1139919014 AXHNKARMDNFLPK-KRWDZBQOSA-N 403.435 1.812 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1141020279 DMMIPAQBQGCVLJ-RXVVDRJESA-N 410.445 1.658 30 10 HDEE C=CCC1(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCOCC1 1142426268 HBWFPONTLRQBPP-UHFFFAOYSA-N 411.480 1.704 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H]2CC[C@@H](C1)[S@@]2=O 1171269995 IIFNDFYGWOVFQW-CIICLBFASA-N 409.533 1.017 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 1171491066 SCNHWAPWEFXGCQ-KRWDZBQOSA-N 403.548 1.951 30 10 HDEE Cc1nc2nc(N)nn2c(C)c1CC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1184152280 GJCUGWWINSOYIF-UHFFFAOYSA-N 408.441 1.225 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C(=O)OC 1213385832 YTMFWICSJKXGJV-LLVKDONJSA-N 423.260 1.473 30 10 HDEE C#CCN(C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCS(=O)(=O)C1 1230543005 WEPDTUSYUBZICH-CYBMUJFWSA-N 400.403 1.383 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3cc(Cl)c(Cl)cc3n2C)C1=O 1275686127 RWILRDFOQXHQRA-UHFFFAOYSA-N 410.217 1.795 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccnc1N1CCOCC1 1286459061 JTEUJCLDWWPSSC-UHFFFAOYSA-N 421.505 1.639 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCC[C@H]1CC 1286465713 RCXJBHRTJBHOFA-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CCC)C1 1286495708 CRSFWBRRZKHAPU-GJZGRUSLSA-N 415.585 1.260 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286506235 HAWOVQMXKCHFEU-JKSUJKDBSA-N 404.540 1.442 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CC1 1286528352 XVVFSEWZEGXILA-LJQANCHMSA-N 416.551 1.709 30 10 HDEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1287080321 PFJYFTDDSWCNRQ-KRWDZBQOSA-N 409.494 1.846 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288302440 OSWRMSHASIHHKE-WAOWUJCRSA-N 419.526 1.599 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1298732579 APZFMMJGENUVAW-OAQYLSRUSA-N 423.565 1.925 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CC[C@@]3(CCOC3)O2)c1 1300330538 CDZASWYPTMCEOR-UGKGYDQZSA-N 409.490 1.981 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300417443 UUBIWAAPWUASMN-UHFFFAOYSA-N 409.538 1.324 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1300483146 IDJZHZBXJZTTRY-SJLPKXTDSA-N 419.595 1.687 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1300498070 GKWNEHYSPHTDDJ-GOSISDBHSA-N 418.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1300537788 KGWHQBQPERQGCQ-KRWDZBQOSA-N 404.536 1.338 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)ccc2F)CC1 1300698023 MMIPWBQCTTZFGW-QGZVFWFLSA-N 400.433 1.311 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCOC2)CC1 1300719894 URROSAAOKCSPKH-KRWDZBQOSA-N 410.522 1.676 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1300806025 OLXHQHABNHCJMM-VQIMIIECSA-N 409.556 1.649 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CCC1 1301413160 QCEOWQNIVYVZML-NDEPHWFRSA-N 409.556 1.454 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1301615551 OZDAUISASIPEFO-GOSISDBHSA-N 400.552 1.704 30 10 HDEE COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301622622 MVIFMTWPYKPDHP-INIZCTEOSA-N 410.482 1.138 30 10 HDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1302228230 SGYKPRWVKVQGST-AWEZNQCLSA-N 411.466 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(C)(C)O 1302312713 ZGSNFOAJFVWLKM-JQHSSLGASA-N 418.542 1.340 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1302792089 DZJFVFIMAQOLIV-MOXGXCLJSA-N 404.490 1.904 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1305680401 IMAQLXRTNIDCPW-OFQRWUPVSA-N 402.394 1.560 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 1309173261 IGLGQIIKAHUGCE-UHFFFAOYSA-N 415.490 1.543 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)cc1 1309515940 YEOHPEUGAPGQGN-HXUWFJFHSA-N 413.455 1.210 30 10 HDEE C#Cc1ccc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(Cl)c1 1311258552 LTXYDHHHTYJXPU-UHFFFAOYSA-N 412.881 1.972 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NCC2(C#N)CCOCC2)cc1 1311441111 BDMLDZJBPVNHME-UHFFFAOYSA-N 408.524 1.837 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1313378696 AITHQSARRRNYLJ-WCVJEAGWSA-N 411.524 1.359 30 10 HDEE COCCOC1(Cn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316224948 MNDPMMCJCLCVLK-GOSISDBHSA-N 419.526 1.877 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1316358964 NSIDLJFKLSVNDZ-SFHVURJKSA-N 424.477 1.389 30 10 HDEE CSCCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1316455817 LLWWIJIAOUBFAV-CABCVRRESA-N 413.569 1.442 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1323730089 RBRBVHTXOIMKMH-INIZCTEOSA-N 421.542 1.453 30 10 HDEE C#CCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1348065461 AWHGXWUFSMVYBQ-UHFFFAOYSA-N 423.560 1.613 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1358887164 QSCMIJJGRWRBDH-AWEZNQCLSA-N 407.478 1.973 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCCCS1(=O)=O 1358952079 XIBDASSQHJJVCR-GOSISDBHSA-N 402.520 1.936 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1358978223 GOFPRTUCBRLMIY-ZWKOTPCHSA-N 403.552 1.127 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCS(=O)(=O)NC(C)C 1358990781 BEVFMKXBHSXTSA-UHFFFAOYSA-N 402.524 1.074 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC(=O)NCC(F)F 1358995375 OLEANCQNYOYUMY-UHFFFAOYSA-N 415.444 1.722 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1359008774 ZVUMZJBQSIYSES-LSDHHAIUSA-N 404.515 1.850 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1359034947 HIKIVFHIKJLGIM-ZCNNSNEGSA-N 401.555 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359035972 JUICYPJBRPSSOE-RTWAWAEBSA-N 414.598 1.905 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359131214 LQKAUPBNPKOIFV-HUUCEWRRSA-N 410.544 1.529 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1359135973 UYSLDSCTPWKOFF-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1359243111 FJAHQUABEKYXPP-FQEVSTJZSA-N 424.549 1.924 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCCCO1 1359298607 GJAYRYAJMOKQNZ-AWEZNQCLSA-N 416.482 1.313 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2CCCO)C1 1359321105 ABQSWWADCVUAJE-IPMKNSEASA-N 405.543 1.410 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)nn1 1436929575 CWDFBCQMNPQCNR-KRWDZBQOSA-N 401.492 1.694 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1444448947 ANJLARJSRUYQPF-OAHLLOKOSA-N 403.483 1.455 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccnc(C#N)c3)cc2)C[C@@H](C)O1 1448862074 FDSJJUCNBRIRAX-HUUCEWRRSA-N 414.487 1.681 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1450849776 NZJLCJXLCAURMC-UHFFFAOYSA-N 424.479 1.303 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1452477741 RSNXXVUPOZLPSJ-WMZOPIPTSA-N 405.520 1.088 30 10 HDEE C=CC1(CC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1454447164 LCNCALVAVZTCCD-CQSZACIVSA-N 401.529 1.469 30 10 HDEE C=CCC1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1456139005 CFCCIBUBFPARKB-GOSISDBHSA-N 415.538 1.771 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cc1 1463093013 QTJLSASJAWESEI-HXUWFJFHSA-N 421.519 1.627 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1465507038 XNBFUZPQRVHURZ-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCONC(=O)OC(C)(C)C 1471457838 PHDGJLDUIVMQGM-AWEZNQCLSA-N 419.486 1.415 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 1471507579 WDVWISVHTMGAIH-IRXDYDNUSA-N 419.478 1.794 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnc(-n3cccn3)c2)s1 1472345634 PUFUFPGUAQFNBG-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@H]1CCCO1 1475216837 OLYKRHHPPZVCNQ-GBESFXJTSA-N 422.503 1.124 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1475245677 AIHLHHFCYPRBSP-XHSDSOJGSA-N 404.529 1.523 30 10 HDEE N#Cc1ccc(CCNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1477952434 DAEJHUTUQLEDLS-UHFFFAOYSA-N 420.535 1.373 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1478553057 SHVBOYXPIFXNBM-MOPGFXCFSA-N 422.551 1.329 30 10 HDEE CC(C)C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1478858850 YHGLUWUWGMWDNH-YZVOILCLSA-N 413.540 1.570 30 10 HDEE Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)n1 1492529591 BJPBJBSCGRDWPZ-HOTGVXAUSA-N 402.524 1.865 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1501967717 IXNQNQWYOLGQRJ-QGZVFWFLSA-N 417.558 1.718 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)C[C@H]1O 1503880753 HSHYSKGMHCAKCG-FGTMMUONSA-N 411.462 1.356 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1507601495 RWFZSPJZFFAJTC-GJZGRUSLSA-N 405.528 1.040 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1507632683 PBKLULXOAUMBKM-JKSUJKDBSA-N 419.507 1.144 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1 1507711770 ZGXKNHFCQYUMFK-SFHVURJKSA-N 402.520 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1507714709 STKYGOCLBVGWBI-GCJKJVERSA-N 414.506 1.791 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1507731793 PGMQYCBBHYUDGN-IAGOWNOFSA-N 418.542 1.450 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCS(C)(=O)=O 1507749082 SUYTVRAZCSFQSX-UHFFFAOYSA-N 423.520 1.701 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1507844380 IWRVNWZTYSMPRL-MRXNPFEDSA-N 407.515 1.106 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1507953184 DLWQBPKGKUKQNF-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(S(C)(=O)=O)CC1 1508062196 WPIRYTAWUFIMLY-UHFFFAOYSA-N 409.537 1.469 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)OC(C)(C)C1 1508097399 PMJULHBBGQVBNY-VYDXJSESSA-N 407.515 1.308 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)N(C)C1CC1 1510079048 DKJHMEPHYZQHBN-UZLBHIALSA-N 421.505 1.940 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)[C@H](C#N)C1 1517003994 CGTVBCIANLSYKI-OAHLLOKOSA-N 404.467 1.697 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CCO1 1517543771 HNIVWJUVMYPFAK-GOSISDBHSA-N 410.478 1.480 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1=O 1517565989 CUWOFUJQENFEFU-JCYILVPMSA-N 414.462 1.171 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2COCCO2)CCO1 1521121134 HPZFYIYWGQKCMQ-HOTGVXAUSA-N 421.404 1.691 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)cc(OC)c1OC 1521185178 HFDMWBLIGWAPSZ-ZIAGYGMSSA-N 400.435 1.865 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)c1 1534302722 AUQCPRUDCIBQKL-GFCCVEGCSA-N 416.528 1.730 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539044423 ASBUXWILIAMBQY-DLBZAZTESA-N 421.505 1.976 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539213444 ZNHPJDGEMLDHOW-UZLBHIALSA-N 420.535 1.880 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(c2ccccn2)CCC1 1539412946 FGKMPDGYNCXQHX-KRWDZBQOSA-N 408.506 1.832 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2C(F)(F)C23CCC3)CC1 1539427373 CLHRCPNAFYMHJV-HNNXBMFYSA-N 406.481 1.607 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539452601 VUSXNBPZOBEBQM-UHFFFAOYSA-N 407.584 1.589 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1539517239 KMBHTMBVDPGEPX-MRXNPFEDSA-N 401.540 1.209 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539520555 UJDDENAYRHTENL-UHFFFAOYSA-N 406.600 1.490 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1539613069 UDICCTAGJLEEFZ-RYRKJORJSA-N 418.542 1.489 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1540069758 XBZKIGQESUJWTM-RDJZCZTQSA-N 411.510 1.520 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1540605364 ZWZQVOSPTQSJGJ-UHFFFAOYSA-N 405.442 1.656 30 10 HDEE C=CCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1540861290 KHWRVGVNJGDBQV-LAUBAEHRSA-N 419.526 1.332 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN2CCCO)C1 1540888967 BLGPHKZTTYMPAJ-ZWKOTPCHSA-N 400.527 1.901 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540916364 AMYPORWQPXGSLE-HUUCEWRRSA-N 406.512 1.971 30 10 HDEE C#CCCN(CCOC)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1540930245 VITLOQKHJYHMIF-OAQYLSRUSA-N 401.463 1.269 30 10 HDEE Cc1csc(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)n1 1542855903 YLBWWMOIPWYDKK-OAHLLOKOSA-N 417.539 1.933 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1542891941 GWUXFDGSGHVOTL-FZMZJTMJSA-N 416.511 1.360 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 1544636687 PROBQAGQMXXYEA-WBVHZDCISA-N 415.494 1.414 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C(C)=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1547912977 IXQKXXQERAQWHW-FQEVSTJZSA-N 414.466 1.112 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1554470315 QZXASOKYNVVSLJ-MRXNPFEDSA-N 409.494 1.304 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1555682165 DEDBVPRRACSOOF-IAGOWNOFSA-N 407.515 1.590 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H](c2cc(O)nc(O)n2)C1 1557318512 HZYAXLKVOYZRFR-JTQLQIEISA-N 419.235 1.917 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(C2CCC2)cnn1C 1557441585 OYRHABFSWXAFDG-ZDUSSCGKSA-N 401.492 1.542 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1558325534 ZGDBDBSDVIMJAM-INIZCTEOSA-N 418.475 1.068 30 10 HDEE Cc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1S(C)(=O)=O 1559033093 VVLYVVVCHAGFJF-UHFFFAOYSA-N 416.455 1.916 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 1559964626 ASXRFOYBCSLYGK-AWEZNQCLSA-N 406.552 1.923 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)CC2)nc1 1563913634 ACEFDVMHTPBWEA-FQEVSTJZSA-N 413.522 1.789 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1)C1CCOCC1 1565105136 DANKUIVUYIQLTC-OAHLLOKOSA-N 406.508 1.580 30 10 HDEE C#C[C@@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C1CCOCC1 1565105562 IJUJQYJPSVIJLK-QGZVFWFLSA-N 418.498 1.298 30 10 HDEE COCC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1569081908 FWQHTYJORWNDQF-CQSZACIVSA-N 410.352 1.733 30 10 HDEE CCN(C)C(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1583290172 PAOUJIUOPTVSSU-AEFFLSMTSA-N 413.478 1.382 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 1584964424 ANYRAOFOJIFKOV-WBVHZDCISA-N 404.536 1.748 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1587646191 UXHHPPCTUNHNNS-ZDUSSCGKSA-N 413.432 1.816 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588054567 OGDMVBQAGKLBIW-AKJBCIBTSA-N 412.581 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCSC1 1588110162 XXNMKCPTLWRUQI-INIZCTEOSA-N 404.503 1.747 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(CC)cc2)n1CC(=O)N1CCOCC1 1588604565 LMCDXKNDYNECNB-UHFFFAOYSA-N 411.506 1.452 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc(CC)s2)CC1 1588750525 DVUIODUKROVZLJ-OAHLLOKOSA-N 419.555 1.220 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1589481899 DLUPZGYWVNEQIK-DOTOQJQBSA-N 411.572 1.901 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)C1 1595721338 FAABTRAFDNNGKD-DLBZAZTESA-N 420.539 1.226 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1598208994 WPMQYYHAZUNGGO-UHFFFAOYSA-N 407.511 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CNC(=O)c2ccccc2Cl)C1 1611245669 RMAHKUCCKPVNRG-DOMZBBRYSA-N 406.870 1.945 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)C1 1615973968 XXWBFRJVUMAYBI-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c(=O)nc1O 1616594901 DKSSMRUFARCPTK-CQSZACIVSA-N 402.382 1.546 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)CC1 1622493794 MOPRQOIZMJYSDK-UHFFFAOYSA-N 414.911 1.589 30 10 HDEE CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@H]2CCCN(O)C2=O)c1F 1625082416 IDZABMLGCDIPLQ-VIFPVBQESA-N 409.233 1.102 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)cs1 1626731899 HEBPGPCBTRFGAR-UHFFFAOYSA-N 406.493 1.451 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)C(C)(C)C1 1627067716 CZNAEAOMENCDEB-KRWDZBQOSA-N 408.543 1.954 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c(C)n1-c1ccc(C#N)cc1 1627518398 VQKUZIJFFQNMOT-GOSISDBHSA-N 415.519 1.754 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CCN2C(=O)CCNC2=S)ccc1OC 1627826441 BITTWWNOLMEVKG-CQSZACIVSA-N 404.492 1.489 30 10 HDEE COC1(OC)CC2(CN(C(=O)Cn3cc(C#N)c(O)nc3=O)[C@H]2c2ccccc2)C1 1627917134 JIGQBLXCLXRHLZ-KRWDZBQOSA-N 410.430 1.173 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1 1629426896 JAMMJEKWNVRHGL-GOSISDBHSA-N 403.435 1.576 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)s1 1629627178 NPDDZKAWIQOCAV-UHFFFAOYSA-N 420.472 1.999 30 10 HDEE C#CCN(CC(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1634323530 UZGJVMHAFRCKOU-HNNXBMFYSA-N 411.499 1.609 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)cc1 1635712581 BDSAYRQBHCJSJI-SFHVURJKSA-N 415.471 1.447 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCC3(S(N)(=O)=O)CCC3)CC2)c1 1636586207 KWOJYAAROQICCC-UHFFFAOYSA-N 405.524 1.033 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1)C1CCOCC1 1637128977 ULQYIVIEMLGKLI-YCPHGPKFSA-N 408.442 1.566 30 10 HDEE N#C[C@]12CN(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)C[C@H]1CS(=O)(=O)C2 1638127301 XOPNKMUNDMQJBW-BBATYDOGSA-N 422.413 1.700 30 10 HDEE CNC(=O)[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)Cc1ccc(F)cc1C 1638952591 OXDPTRWRZPJOLT-GOSISDBHSA-N 410.449 1.457 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1639687819 OJUMETDYZQXKES-RCCFBDPRSA-N 419.526 1.710 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)ccc1F 1639950903 CUIWNJYOSOZLPS-UHFFFAOYSA-N 402.451 1.490 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1640186917 SCBDNHRRRGPCID-LLVKDONJSA-N 407.215 1.752 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNc2ncccn2)C1 1640642181 DTZRZBNWNYTRDG-UHFFFAOYSA-N 401.268 1.775 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@@H]4CC(=O)NC(=O)N4)cc3)cc2C1=O 1641182138 XOLNGQYAYWYKBZ-KRWDZBQOSA-N 418.409 1.992 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)CC1(C#N)CCOCC1 1641657767 JBZXYKGOTPBWNG-UHFFFAOYSA-N 406.483 1.730 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C1CCN(CC(=O)NC2(C#N)CCC2)CC1 1643123534 GNHLNMIQYXNNPC-AEFFLSMTSA-N 406.527 1.943 30 10 HDEE C#CC1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)CC1 1643559873 SRSMMNAYFPIYGF-UHFFFAOYSA-N 416.547 1.922 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1644428185 AKSLQXGLUCQFQS-CALCHBBNSA-N 420.531 1.475 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 1645173253 FNJHLDIYRBIVQS-QGZVFWFLSA-N 406.531 1.736 30 10 HDEE C[C@@]1(C#N)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCO1 1648462577 AVIIHXVJTBLGQY-HXUWFJFHSA-N 420.535 1.804 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]2C[C@H]21 1653120511 KOGNGBFGWQKMKO-HZPDHXFCSA-N 420.491 1.057 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](CN2CCOCC2)c2ccccc2)c1 1653986837 ITSIMPHLIWOWJF-NRFANRHFSA-N 406.486 1.979 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(CCC(=O)OC)cs2)n1 1669365671 ATQUXFXPPUFZBZ-UHFFFAOYSA-N 405.480 1.759 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cnn(-c2ccccc2OC)c1 1670201088 XFMQDCCELBWUCA-UHFFFAOYSA-N 405.476 1.847 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCCC1 1674096918 BDIHLZNQUWXVMM-UHFFFAOYSA-N 416.507 1.663 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 1681913699 FHPQFZXEANMFGI-AEFFLSMTSA-N 424.954 1.771 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCC12CCN(C(=O)NCC(=O)NCC#N)CC2 1682186244 QYUHAPPCQPHGRN-OAHLLOKOSA-N 407.515 1.743 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C[C@H]2CCCCN2C1=O 1682953546 RXVHKCDJGWQJEO-HXUWFJFHSA-N 412.538 1.922 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)NCC2(C#N)CCOCC2)cc1 1682984011 GDVFSPULOFTCLH-UHFFFAOYSA-N 408.524 1.835 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](O)COc2ccccc2Br)C1 1685267216 UIVFACRLPSPQQY-LSDHHAIUSA-N 410.312 1.586 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H](C)N2CCN(CC)CC2)c1 1689868487 IENYKMDRVGWMRC-GOSISDBHSA-N 423.565 1.669 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCCC2)nc1 1689998421 LPCMKTYBAGIZPS-UHFFFAOYSA-N 419.533 1.923 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC(=O)NCC(F)F 1690009875 NERLEJMCOJLDKT-UHFFFAOYSA-N 408.412 1.947 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@@H](OC)C(F)(F)F 1690099600 DMNZUPIWCRZQIE-CQSZACIVSA-N 400.405 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1nncn1-c1ccccc1 1690099768 KOYLBAGGAMJAJB-UHFFFAOYSA-N 402.462 1.988 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)COCC)CC1 1690109456 RVBKMVPBEDZYEH-UHFFFAOYSA-N 402.543 1.332 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1690319460 NQOVWEHEXDBJGP-NRFANRHFSA-N 416.526 1.728 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1690624200 JGTPCOKUYCDXEK-SFHVURJKSA-N 400.545 1.055 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(N)=O)c2)C1 1690696756 IKBLEOABKGVTCD-QGZVFWFLSA-N 405.462 1.664 30 10 HDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691328902 PZCWGGPFKATMDB-RIYSCVPDSA-N 420.583 1.853 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CC1 1691811413 NXXJWPXWAXKDOH-UHFFFAOYSA-N 416.507 1.514 30 10 HDEE CN(OC1CCCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1696847780 FLHIBIKITPRJHP-CWFNNOHCSA-N 416.482 1.966 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705536787 WGOOAPDURCJHJO-LJQANCHMSA-N 421.505 1.444 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC(F)F)c1 1705581092 SUOOOGMXRBVYLO-AWEZNQCLSA-N 400.389 1.347 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(C)COC2)n1 1705631372 BWOTYAMFPXARMT-QGZVFWFLSA-N 414.510 1.301 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705724556 XKIKPWMSVJGRHG-UHFFFAOYSA-N 405.528 1.609 30 10 HDEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705766767 NRSXYXBTIYCCAQ-UHFFFAOYSA-N 419.489 1.693 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705831156 IEIHYRXNNUVKTB-UHFFFAOYSA-N 401.515 1.867 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)c(F)c1 1705893971 JJVOSDULGAIHMW-UHFFFAOYSA-N 418.448 1.731 30 10 HDEE CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1/N=CC=CC1=O 1709914322 JJAYCELIHJHARA-VLGSPTGOSA-N 411.422 1.836 30 10 HDEE N#Cc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@@H](C#N)C2)o1 1712881367 QWKHHAQYFZGHNP-HNNXBMFYSA-N 423.458 1.511 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(CS(C)(=O)=O)CC1 1722289819 AZSAABYLPJEQGW-CYBMUJFWSA-N 419.507 1.289 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722338462 ICIVUFKVCDYXNA-FVJLSDCUSA-N 401.511 1.587 30 10 HDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722368668 ULEIBHKQWYSYNM-QAPCUYQASA-N 416.503 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1722400631 UZSBVNOLDZUBJH-KRWDZBQOSA-N 408.524 1.044 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1722692815 XUKYATBPYOKULX-CABCVRRESA-N 408.572 1.829 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(COC)CC1 1722702020 CRVURKYDXMKMOS-WMZOPIPTSA-N 407.515 1.167 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)N1CCCCCC1 1722861096 BQYQNXQJNQMOQW-MRXNPFEDSA-N 403.531 1.805 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC2CC2)CCOC1 1722865031 XRIIIEYBFNKGEI-QRWLVFNGSA-N 404.515 1.441 30 10 HDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727047799 OYAYFLYOFQWBOB-TYUDHVIVSA-N 402.499 1.932 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1728197866 CHHIYJTXDIZJMB-UHFFFAOYSA-N 409.494 1.402 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1730818597 GTCXIARXLVGPAT-ARFHVFGLSA-N 413.544 1.423 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1740553391 RSSANFRRGYMUPL-JKSUJKDBSA-N 409.556 1.671 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CC)[C@@H]1CCS(=O)(=O)C1 1740616274 XJVAJWYSISMOEM-OAHLLOKOSA-N 409.556 1.479 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740637794 HYWVQTBAXMQAOV-HZPDHXFCSA-N 411.428 1.118 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C(C)C)C(C)C 1740640502 OQSOEPBYDDBLGJ-SFHVURJKSA-N 405.568 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2nncn2C)CC1 1740704584 TYCZYYHPUQOGBG-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1740825144 KAZCEFKSNQPSIN-HNNXBMFYSA-N 409.512 1.179 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1740830999 DKEHIRJVNKOXBK-GOSISDBHSA-N 416.570 1.885 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740863591 BFGUNCGICJOXKN-WBVHZDCISA-N 409.556 1.594 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740868649 PKNSOIDOAHGHJL-SOUVJXGZSA-N 401.533 1.095 30 10 HDEE C=CCN(CCOC)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740936605 BSWJCDUTTBPQKF-WNRNVDISSA-N 413.522 1.847 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCOCC 1740960607 VWAXRIPQOQWDSB-KRWDZBQOSA-N 401.467 1.566 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2cnnn2C)C1 1740985222 OLTBIBGRBSQPRJ-INIZCTEOSA-N 413.457 1.954 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)n1 1742679900 XONQIZNFBZGUQB-QKKBWIMNSA-N 410.526 1.747 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1744867653 NYAQKHGSSYGFLB-GUDVDZBRSA-N 420.558 1.995 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCCCCC2=O)cn1 1748009219 BHYDKYXUYNQLGH-HXUWFJFHSA-N 414.489 1.913 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1748172530 QEGOOWGHNICLHN-GOSISDBHSA-N 412.494 1.178 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H](C)CC#N 1748268882 BUGBOSUAZTWWPR-LLVKDONJSA-N 408.304 1.921 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1748800569 ZEWZZEJBTXOJFD-OAHLLOKOSA-N 421.498 1.490 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1748812170 RHVMMHJNLHYQCQ-HNNXBMFYSA-N 400.508 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(NC(N)=O)cc1 1748825400 VYKGPFQBVGTYRS-UHFFFAOYSA-N 421.505 1.808 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccn(C)n1 1748901314 WKBLOMMMJYADDV-UHFFFAOYSA-N 407.503 1.514 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(OCC(F)(F)F)nc2)CC1 1748992683 FIDAICAPGWIEFZ-UHFFFAOYSA-N 408.428 1.980 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccnc2OCC(F)F)CC1 1749004101 DTVMGTCODMSOTF-UHFFFAOYSA-N 418.448 1.640 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1749033270 CKWZYFCIEYMWIJ-QFBILLFUSA-N 416.595 1.511 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1749118474 GPWUWVXDHJKOAG-PKOBYXMFSA-N 404.559 1.641 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1749135882 JEJWEDJJKQMNNA-MGPUTAFESA-N 415.469 1.914 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1749671701 GUDWEEMARUBQKJ-INIZCTEOSA-N 400.458 1.025 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC=C)C1 1749706960 SGTNECGTTYGRGH-QGZVFWFLSA-N 403.508 1.722 30 10 HDEE Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1751467500 BMHXNVGXZACDOV-HMWBCQRISA-N 412.450 1.598 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCCS1(=O)=O 1751941323 PBAJUWWSBUGFPK-MSOLQXFVSA-N 400.508 1.366 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760187137 ICLDMKBISOVPCI-IRXDYDNUSA-N 408.524 1.001 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1760202019 QJBLHWRATQVXCD-AWEZNQCLSA-N 413.279 1.508 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnnn1CC1CC1 1760229843 HZZBOYRMOSVFTK-UHFFFAOYSA-N 422.493 1.867 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760435100 XLSBQFDJDZGQIQ-INIZCTEOSA-N 421.509 1.944 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760469165 WGWMBOOMHUPKBO-IXDOHACOSA-N 409.556 1.956 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1Cc1nnn(C)n1 1760479029 BUFFEQJCDTXJQI-UHFFFAOYSA-N 400.450 1.909 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760510572 CYFANMBQXGYODZ-UHOSZYNNSA-N 402.543 1.347 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)NC)CC1 1760519957 VUZJIYJAFAATRU-UHFFFAOYSA-N 407.478 1.081 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1760554737 LHQHHBGPPBLHIR-INIZCTEOSA-N 411.572 1.572 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOC1CCCCCC1 1761237868 CWCMIHCQFUFPDG-KRWDZBQOSA-N 404.515 1.884 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1762413975 GSEBDUJBMVLRCT-PBHICJAKSA-N 419.555 1.560 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)O1 1764321672 WBOYHQJKFXMVJX-RZQQEMMASA-N 404.515 1.943 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1765446496 FARXFNXFYZHEMT-ARFHVFGLSA-N 411.576 1.359 30 10 HDEE COc1cc(F)cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1768348616 CSXINCYBERMCBT-HIFRSBDPSA-N 421.498 1.972 30 10 HDEE CO[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769582591 KYZAAFUJZPMXLE-DYVFJYSZSA-N 401.540 1.845 30 10 HDEE CO[C@@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CCOC1 1769770269 NRNJVXAPNMEVFP-ORAYPTAESA-N 402.455 1.407 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCOCC1 1769995903 UQFMOBOKPWGVEX-INIZCTEOSA-N 407.515 1.674 30 10 HDEE O=C(CCNS(=O)(=O)c1cccc(Cl)c1)ON1C(=O)c2ccccc2C1=O 1772785748 IJHWKRXEVZTIDX-UHFFFAOYSA-N 408.819 1.763 30 10 HDEE O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)ON1C(=O)c2ccccc2C1=O 1772787052 UZZMQPHSCWCMKE-SNVBAGLBSA-N 406.441 1.342 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)CC1 1848518922 WYABFJVUJNDTJG-DLBZAZTESA-N 410.499 1.721 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1850124160 NFQRYCMXULVPOV-FQEVSTJZSA-N 403.548 1.835 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1ON2CCCC#N 1851502126 PEJUKVNNTNTCIL-ZWKOTPCHSA-N 409.442 1.793 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1853688441 XMGVQGPUNRZOQP-MRXNPFEDSA-N 402.886 1.319 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C1=O 1854300145 MWVLFQZURLNSEO-SFHVURJKSA-N 405.520 1.745 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(Cl)n2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642862 ZINPLPQCWXNGRL-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE COc1ccccc1OCCN(C)C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1855779498 BRBARERBCXKPJL-MRXNPFEDSA-N 408.458 1.961 30 10 HDEE CCCC[C@@H](F)C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855838223 KQUCTEDEBKITHC-SJLPKXTDSA-N 401.486 1.979 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C1 1856096500 KJGIDJTWONORDT-CVEARBPZSA-N 404.536 1.780 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cn1nc(C)cc1C 1856099748 CPXMYHFVEWICJV-UHFFFAOYSA-N 416.503 1.812 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)CC3CC(F)(F)C3)C2)C1 1856383365 AGJKLQOGSZDFRC-CQSZACIVSA-N 404.417 1.827 30 10 HDEE Cc1cc(CCN2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)no1 1856844640 TVKZTGVHBCHWNU-FQEVSTJZSA-N 407.474 1.456 30 10 HDEE CCc1noc(CN2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)n1 1856849846 HTPAXDCRXHJRPW-KRWDZBQOSA-N 408.462 1.063 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC(Cn3nc(C4CC4)ccc3=O)CC2)C1=O 1856911348 DFMBZGULHZMYOC-LJQANCHMSA-N 411.506 1.654 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(-n4cccn4)nn3)C2)CC1 1856982849 CNRZOVCDAQJNTH-QGZVFWFLSA-N 407.478 1.667 30 10 HDEE CN1CCN([C@@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1=O 1857180248 FYWFPVGGTAFHNQ-QGZVFWFLSA-N 402.882 1.701 30 10 HDEE Cc1cc(C#N)nc(N2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)CC2)n1 1857969977 UONFFWILVCWJON-UHFFFAOYSA-N 410.400 1.106 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2ccccc2Cl)c1=O 1861315493 NLMJMQBWVGFTLI-CRAIPNDOSA-N 415.877 1.428 30 10 HDEE COc1cc2c(/C=N/n3c(SC)nnc(C)c3=O)c(C(=O)O)n(C)c2cc1OC 1873494588 AYDGJEWQGXXQKV-UFWORHAWSA-N 417.447 1.758 30 10 HDEE O=C(CCc1ccc(Br)cc1[N+](=O)[O-])NCC#CCN1CCOCC1 1889847196 YDPRQJUBPDJGNX-UHFFFAOYSA-N 410.268 1.742 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 1891834570 DXAIJWBAJFUDKB-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C3CC(C(F)F)C3)s2)OC1(C)C 1912678193 VIYGGADWKORTNK-UHFFFAOYSA-N 408.301 1.905 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074701817 JFINTNHSJJINFJ-DEXQXJORSA-N 410.492 1.539 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 2118170648 OJJXKGBIDCQFOF-VLFYSKJFSA-N 406.530 1.088 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C[C@@H]3CC[C@@H](F)C3)s2)OC1(C)C 2150388943 JBCFAFVJGJCOFI-VXGBXAGGSA-N 404.338 2.000 30 10 HDEE C#CCN(C(=O)[C@@H](F)CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180112069 CGJCEKBHUDWOLS-CABCVRRESA-N 402.488 1.230 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2181108423 SGLUVBIJPHRUSD-GOSISDBHSA-N 401.529 1.857 30 10 HDEE O=C(CN1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)NCC(F)(F)F 2195540975 NYNUPZMWFXVNNZ-RQJHMYQMSA-N 403.245 1.739 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197740433 RYLTUXLCURBRIY-KBPBESRZSA-N 404.529 1.242 30 10 HDEE Cn1nc(Br)c(CNC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1 2235250572 LHUUNKVIHZEBHS-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2243393897 AINNRPXROMXYJN-UHFFFAOYSA-N 406.292 1.400 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)[C@H]21 2243697197 HHVCIXXTWCJJCT-RBSFLKMASA-N 406.288 1.372 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CBr)[C@H](O)C(F)(F)F 2244542763 BURMITIBYUCVKB-BDAKNGLRSA-N 403.195 1.665 30 10 HDEE Cc1c(C(=O)NCCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247774260 VKYDRBIKYDFAJT-UHFFFAOYSA-N 422.335 1.672 30 10 HDEE Cc1nn(C)c(C(=O)N(Cc2ccccc2)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2247843155 GMWCKFOBBJWSND-UHFFFAOYSA-N 410.327 1.642 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 2247857135 QZKUUYNBFQDEBS-MRXNPFEDSA-N 411.315 1.119 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282067101 NEXGDAVKGFBSHO-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE COCC[C@H](COC)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282328732 BYTPKEMOOZWRAG-GFCCVEGCSA-N 405.347 1.377 30 10 HDEE C[C@@H]1CCS[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329409 LSRUVZZITKJRGN-VXGBXAGGSA-N 401.363 1.139 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCP(C)(C)=O 2282330185 WCSUFTIFCZOBRA-UHFFFAOYSA-N 405.266 1.010 30 10 HDEE CC1(C)[C@@H](N)C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330820 FUPXPPYVDSYJGV-AAEUAGOBSA-N 400.375 1.699 30 10 HDEE CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340791 JUVUXBNAHAKIHI-UHFFFAOYSA-N 402.347 1.179 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CO)C2CCCC2)OC1(C)C 2282489931 IDVWXJYKJXLSTF-CQSZACIVSA-N 401.359 1.877 30 10 HDEE CCCC1(O)CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282494535 YYZKWKUCPFQPNV-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE C[C@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282504619 RMDMQAKUEMAGAL-NWDGAFQWSA-N 402.347 1.429 30 10 HDEE C[C@@H]1CCO[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506211 OWPOMWAYBLRNHA-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE C[C@H]1C[C@H](C)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1=O 2282510432 YIUWWCBIQQPZGD-QWRGUYRKSA-N 400.331 1.529 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCC(S(C)(=O)=O)CC2)OC1(C)C 2282613762 DCYVKHXJFJVUMU-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE C[C@H]1[C@H](N)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828358 MYEVSYREWQBNDT-SMDDNHRTSA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@H](C)[C@H]1C 2282834158 QBBXDWWTMLJXQW-VXGBXAGGSA-N 400.375 1.727 30 10 HDEE CON1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282834863 NUXYASZUEICVQB-GFCCVEGCSA-N 402.347 1.270 30 10 HDEE CC[C@@H](CN(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282836184 GXOYRMMHFGUZJZ-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE COC(=O)N(C)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849851 HPNMSCACUZZTGU-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE C[C@@H]1CC[C@H](CO)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877614 UKYPYQFAXOMNRC-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)Nc2ncc(C(=O)O)o2)OC1(C)C 2284406905 DXEDUVBJBQRFNY-UHFFFAOYSA-N 400.243 1.534 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)O[C@H]2C1 2289381872 GZLMHKVDDVUHED-CYDGBPFRSA-N 402.513 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]21 2303389899 KDVVZLBFSAYXAE-BZUAXINKSA-N 420.315 1.904 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@](NCC#CBr)(C(=O)O)C[C@@H]21 2306582037 LBCBKSHTXLIXRD-HWWQOWPSSA-N 403.273 1.554 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)c1nc(Br)nn1CCOC 2307985074 VCCUFNUPYNKPOH-GHMZBOCLSA-N 403.277 1.637 30 10 HDEE CCc1csc(C#CC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338646916 COJPRCPMUJFXBQ-ZDUSSCGKSA-N 400.522 1.954 30 10 HDEE CC(C)(C)[C@@H](N)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2362079490 DXRVIEIKEGVTSA-ZDUSSCGKSA-N 402.391 1.840 30 10 HDEE CC(C)(C#C[C@H](NN)c1ccc(F)cc1I)S(C)(=O)=O 2365195409 BGSLMLHIEXVSBI-LBPRGKRZSA-N 410.252 1.761 30 10 HDEE CCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](O)c1ncc(I)s1 2367316979 YWTIITMRKQJYOV-MEWQQHAOSA-N 404.273 1.655 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F 2367789203 QWTAIJCJSKOPRR-MGPQQGTHSA-N 406.495 1.951 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C 2367793886 XOCBRFFZHFQRLY-CHWSQXEVSA-N 414.553 1.143 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CNC(=O)OC(C)(C)C 2367810405 XIAJZNAWEHNECH-YJBOKZPZSA-N 402.557 1.601 30 10 HDEE C=CCN(CCO)C1(C(=O)O)[C@H]2CSC[C@H]1CC(NC(=O)OC(C)(C)C)C2 2378868308 FHVIJZGEYTYCRA-IUGDKWEMSA-N 400.541 1.956 30 10 HDEE CO[C@H]1COCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2379685000 MTUAZQRTZZNTPT-GFCCVEGCSA-N 403.331 1.083 30 10 HDEE CN(C[C@H]1C[C@@H](F)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2380480447 JXSPLVYIIXWBCT-TXEJJXNPSA-N 404.338 1.952 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 10063378 NMDFMFQLFPVTGT-UHFFFAOYSA-N 405.436 1.317 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 27560215 ITUWFHGSHRTSGZ-OAHLLOKOSA-N 408.930 1.904 30 10 HDEE Cc1cc(C)cc(-n2nnn([C@@H]3CC(=NNC(N)=S)[C@H]4OC[C@@H]3O4)c2=S)c1 254397298 FFLINNROFJNWBV-RDBSUJKOSA-N 405.509 1.291 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1ccc(F)cc1)N1CCOCC1 301169306 FSPVHWFWGUVGCT-LJQANCHMSA-N 404.467 1.830 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)CCO1 409558457 PGWKYFKZARGKJQ-HNNXBMFYSA-N 402.879 1.066 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 429479483 XIYVKTWZXCKZLT-FRFSOERESA-N 406.508 1.624 30 10 HDEE N#CCC1(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 431179333 CUHBXSHNCGJKGA-MRXNPFEDSA-N 406.464 1.948 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)Nc1cc(C#N)ccn1 435991438 DZHLPFAVKXQXMQ-SFHVURJKSA-N 416.459 1.666 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 443085371 KMKVEEOCAYEWJX-UHFFFAOYSA-N 420.369 1.688 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 448376603 QAMQVAYHESAVIY-HUUCEWRRSA-N 409.508 1.505 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 465263625 FIVXJDKYFARVII-CYBMUJFWSA-N 419.894 1.513 30 10 HDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 500056602 DLLFTPJYRPTXIC-UHFFFAOYSA-N 415.899 1.348 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)no1 505737217 VUUHXFODOQGYQI-FQEVSTJZSA-N 419.482 1.327 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C(=O)N(C)C)CC1 508802712 SLFJNGKAFQJPPA-UHFFFAOYSA-N 424.553 1.943 30 10 HDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)CCCOC)CC1 508861165 BLMPWWSPUGTUNL-UHFFFAOYSA-N 423.539 1.829 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 518571795 JRJDAFDOOBSSLC-QFBILLFUSA-N 415.490 1.968 30 10 HDEE Cc1nn(C)c(N2CCN(c3ncc(I)cn3)CC2)c1C#N 530517782 AJCNKZZUGQRYJH-UHFFFAOYSA-N 409.235 1.321 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(-n3ccnn3)c2)CC1 535137262 IOFWEKVRJIRBAX-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(c3ccccc3C#N)CC2)C1=O 541195879 QSIMRZXQHPTJTN-SFHVURJKSA-N 421.505 1.315 30 10 HDEE CC(C)[C@H](NCc1cnc2ccc(C#N)cn12)C(=O)N(C)Cc1nnc2n1CCC2 551823243 QMPJSXBKXFSWLQ-FQEVSTJZSA-N 406.494 1.516 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)c1 552900835 MXEUHNSOBITDDE-UHFFFAOYSA-N 407.477 1.016 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)Cc1cn(C)nn1 582388458 OCIRWBZTHQXTAM-UHFFFAOYSA-N 401.496 1.690 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C(F)(F)F)OC[C@@H]3C)CC2)o1 586777289 KFKMADZNEOAPAD-SMDDNHRTSA-N 401.389 1.155 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2C)CC1 605413789 BPCUIHYZUYFUIA-UHFFFAOYSA-N 417.579 2.000 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(=O)N(C)C)c1=O 623010615 KJTKQFZFSPAHTC-UHFFFAOYSA-N 409.511 1.179 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CN4C(=O)CNC4=O)cc3)cc2C1=O 641947032 SRHKCYMBZVODOP-UHFFFAOYSA-N 418.409 1.773 30 10 HDEE COC(=O)c1nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c(=O)c2noc(C)c12 728903545 RURMZQPYLVXPRA-UHFFFAOYSA-N 423.429 1.852 30 10 HDEE N#Cc1cc(NC(=O)Cn2c(O)nc3ccccc3c2=O)ccc1N1CCC(O)CC1 743734606 UDOZRQSQAKLTTD-UHFFFAOYSA-N 419.441 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)NCCOc2ccc(C#N)cc2)CC1 745784927 KYLSGCXMSJOLCI-UHFFFAOYSA-N 417.510 1.789 30 10 HDEE COC(=O)COc1c(C)cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1C 752158066 UCBFWXFKDAMFAG-UHFFFAOYSA-N 416.455 1.987 30 10 HDEE C#CCN(C(=O)N[C@@H](c1c(C)nn(C)c1C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 757891948 YATFWNMVNQZEDQ-JSGCOSHPSA-N 406.430 1.472 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 761124976 VWGLBLAFMMOUMV-LJQANCHMSA-N 412.534 1.493 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1 766075510 BNYDWDODOIPTCF-KRWDZBQOSA-N 402.447 1.906 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC[C@H]2C2CC2)cc1 766102436 QZFDEVUTQMRCEL-SFHVURJKSA-N 420.487 1.558 30 10 HDEE Cc1ccsc1[C@@H](CO)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 771233552 WCMYNRYMCMEQEX-CQSZACIVSA-N 407.517 1.725 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)cc1 773971074 MECROVKJKQOOHE-ZBFHGGJFSA-N 409.508 1.748 30 10 HDEE C#CCN(C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 779509299 JQJUWQFPYQWKAT-INIZCTEOSA-N 402.476 1.594 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 780205520 MWIQYORTEHUPQZ-OAQYLSRUSA-N 409.442 1.606 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@@H]2CCCc3cc(OC)ccc32)c1=O 782897922 KXCCRXJWVZGPDJ-LJQANCHMSA-N 412.490 1.519 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)n1 789211974 XITOEDFVALBERM-INIZCTEOSA-N 405.499 1.541 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C2CC2)cc1C#N 793627543 AGDUDLPGMSZVJT-MRXNPFEDSA-N 416.478 1.603 30 10 HDEE CN(C)c1noc(COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)n1 801203025 PQVQXQCSVULSQY-UHFFFAOYSA-N 403.342 1.962 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2cccnc2OC)cn1 809943491 GOGCROIOURIZEU-OAHLLOKOSA-N 416.507 1.617 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(C#N)c(OC)c3)C2=O)cc1 810868269 OHSGRFGRCHRPTD-JOCHJYFZSA-N 422.441 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CCOC)CC1 812168603 TZJNYTKDJPITCK-IBGZPJMESA-N 409.490 1.567 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 814397494 GZMMZFRUEOLQQN-UHFFFAOYSA-N 408.480 1.272 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)NC(C)=O)cc1 916178807 PBXPNGKLAPNRTH-LJQANCHMSA-N 415.471 1.780 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 1084349087 NJZRLZJOTWCNOC-UHFFFAOYSA-N 401.452 1.448 30 10 HDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1c(F)cccc1F 1084400675 YGSMSORJDKEXJC-UHFFFAOYSA-N 404.406 1.842 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N(C)C(C)C)ccc1Cl 1132452536 SEBOGINFKTVQDM-UHFFFAOYSA-N 415.899 1.898 30 10 HDEE CCCN(CC)C(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134429018 LHCYAFMCQXJIPR-FXAWDEMLSA-N 403.504 1.569 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1 1141378252 OYIRLNCFKCLVNB-HNNXBMFYSA-N 407.423 1.655 30 10 HDEE COC(=O)COc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1142314395 GMDWIYRJWJSWFN-UHFFFAOYSA-N 406.391 1.927 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc2cncc(Br)c2n1 1144428808 CAKKKDFJZWPGJA-BMRADRMJSA-N 416.235 1.649 30 10 HDEE CCCc1ccc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)cc1 1159490807 UWQVQGGEUMTFJV-HNNXBMFYSA-N 421.457 1.209 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1161392767 FQWHUBHJCIKQAT-MRXNPFEDSA-N 422.503 1.157 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)C1=O 1166195372 ADIBPPSMBYXNDV-CYBMUJFWSA-N 404.854 1.259 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](O)C[C@]1(C)CO 1167396796 GSBWHAJPMVJQPU-SJKOYZFVSA-N 413.268 1.442 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1174716368 QHRRZOPHMLRESZ-UWJYYQICSA-N 421.563 1.601 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C2 1176860622 NNGPGPYPCFTVNL-HNNXBMFYSA-N 401.858 1.023 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCC2(c3ccccc3)CCCCC2)c(=O)n1CCO 1189977803 XUUDBXIKCVOLBM-UHFFFAOYSA-N 424.501 1.201 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCO[C@@](COC)(C(=O)OC(C)(C)C)C1 1227925147 VKQTXLWUWREENJ-QFIPXVFZSA-N 418.490 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1286276986 VJWMKUXWVSQMOZ-OXJNMPFZSA-N 401.515 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCC[C@@H]1NC(=O)NC1=O 1286305968 RIALIDXTODACMA-RDJZCZTQSA-N 424.505 1.866 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1286368786 ZRQWKTAWIRKUFB-UHFFFAOYSA-N 407.482 1.153 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1ccn(C)n1 1286379587 XRULQQIGZRWVPE-UHFFFAOYSA-N 418.549 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCC(=O)N1CCOCC1 1286424598 ZEAGCQVBLXKWFK-UHFFFAOYSA-N 405.502 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(C)cccc2C)CC1 1286478407 BILHJDXPSHQZQM-FQEVSTJZSA-N 406.534 1.844 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccccc1F 1286727616 VOMPCSWVPNYNOC-CQSZACIVSA-N 421.498 1.372 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)C[C@H]1C 1286784776 SZZHGSUDOFZIHE-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1286792369 VVRZCVMNLPGBGA-UHFFFAOYSA-N 418.461 1.457 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1286793234 VQURTFQSSDIQQR-HNNXBMFYSA-N 422.530 1.468 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286817189 KJUBHLGEFZQAQO-IRXDYDNUSA-N 411.572 1.159 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](OC)C1 1286821490 NGSGGZAQHNQDPR-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CCC)C1 1286823306 UHHVEMWRNGANKA-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1286833159 WHAYJACHLRHQRQ-MRXNPFEDSA-N 414.597 1.962 30 10 HDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1287121507 YVTXXXHOAPMFRL-MRXNPFEDSA-N 422.493 1.933 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1288508515 NVWWZOJQGFILTG-JKSUJKDBSA-N 402.499 1.796 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cs1 1289394722 FVXBVBZPQOVEBB-HUUCEWRRSA-N 407.521 1.327 30 10 HDEE N#C[C@]12CN(C(=O)C(F)(F)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1289436251 LBXVJKHMUXTSAD-SMDDNHRTSA-N 419.247 1.938 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2cnn(C)n2)cs1 1290417691 ONTCSMDFQDWVOR-SFHVURJKSA-N 415.502 1.837 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)CC2CCCCC2)c1 1292572001 DXGFDHRJHDNTRD-UHFFFAOYSA-N 409.483 1.939 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1298047212 IBYQBCSLUMTZFJ-IKGGRYGDSA-N 410.492 1.176 30 10 HDEE CN(Cc1cscn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1298433780 ZBJUGKNCNDNJHA-VLGSPTGOSA-N 424.490 1.893 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1300004811 RKLLGCHCVNBRLQ-MRXNPFEDSA-N 418.515 1.730 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1300370881 GHTHKLYOHTYRSU-GOSISDBHSA-N 412.538 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC(=O)N1CCOCC1 1300448656 BEPSWSDQXXMWPA-UHFFFAOYSA-N 404.474 1.812 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1300704018 YWJYAUVMPRFQDR-MJGOQNOKSA-N 414.579 1.940 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCC(=O)NCc2ccccc2)CC1 1300716082 IVXIWMOODFKEQN-UHFFFAOYSA-N 408.506 1.259 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300928682 LNKVUAGCRJTRFS-JKSUJKDBSA-N 410.588 1.775 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1300989472 BTKQXHBWSYITPV-KURKYZTESA-N 424.567 1.778 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C(N)=O)cc2)CC1 1301084880 AXYIDBORSCFGHL-QGZVFWFLSA-N 415.519 1.484 30 10 HDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1301257492 AHQYHZOAGXPZQC-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCNS(C)(=O)=O 1301270717 MMGXIXVJLWFARN-UHFFFAOYSA-N 417.333 1.597 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1301297692 SSZZQXMZFUQXBA-YOEHRIQHSA-N 415.585 1.519 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1301314297 SGGLQYQXSIKNAZ-ZBFHGGJFSA-N 424.571 1.302 30 10 HDEE C=CCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301474331 ZWLZXVXDVNZCSN-RXVVDRJESA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1301499965 HUBHYGWOZOMLTC-GOSISDBHSA-N 408.462 1.833 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1302574471 GHVZIUPPMWEGQH-LJQANCHMSA-N 405.462 1.996 30 10 HDEE C=CCCC[C@H](NC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C)C(=O)OC 1303685435 CMLJXNZOENYQJO-INIZCTEOSA-N 405.495 1.617 30 10 HDEE CCc1nnc(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)n1Cc1ccc(C#N)o1 1306106661 WGCCUJUKZCELML-DNVCBOLYSA-N 411.510 1.342 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1314270212 BNOKKIBHYXFVQD-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H](OC)C(F)(F)F 1314390094 ITHWSIQYKBSAFP-CABCVRRESA-N 416.448 1.959 30 10 HDEE CCSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1314614358 LUWGSMBFRZGHMN-QGZVFWFLSA-N 414.535 1.911 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1315042533 GZUSZEHTLJDFND-QFBILLFUSA-N 423.521 1.110 30 10 HDEE CO[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1315214810 MQYTULBJWGTTSD-RDTXWAMCSA-N 412.494 1.988 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1315823241 XCZACUSGQIKRGE-SJORKVTESA-N 415.473 1.360 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)c(C(N)=O)c1C 1320107254 MBZXANIFBNQQTP-UHFFFAOYSA-N 404.474 1.710 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)ncc1C#N 1352471292 YGOLZNVGFUWGOY-UHFFFAOYSA-N 424.404 1.826 30 10 HDEE C[C@@H]1Oc2ccccc2N(CC(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1=O 1354673704 GHNWIMBIGUVTSS-AWEZNQCLSA-N 402.414 1.951 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1358947885 MWIOYJVTDYVCIF-OAHLLOKOSA-N 423.564 1.590 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1358953950 PRGFORJPTKFPOZ-MRXNPFEDSA-N 421.498 1.490 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1358980412 UPQHMGMMXHJAPN-LJQANCHMSA-N 415.501 1.737 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359024122 FQNUUJZAQOZKSU-CVEARBPZSA-N 407.515 1.781 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1359026201 ODINDIPYTDEKPG-JOCHJYFZSA-N 421.505 1.081 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)COC)C1 1359321649 JSLIGUFQJHIJQY-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1360794920 UZBYSGZKOYTCMF-FQEVSTJZSA-N 414.535 1.634 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(CC(C)C)nnc1N1CCO[C@@H](C#N)C1 1360861505 LUMJOFHQUNVLRJ-INIZCTEOSA-N 400.483 1.927 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1440921995 FIZVUDGCJMPOIG-DHZHZOJOSA-N 402.447 1.941 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1443054736 OVZSETIKKDBHJX-HXUWFJFHSA-N 418.563 1.851 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1450390877 NUGRIWHXYNHZTG-HZPDHXFCSA-N 406.487 1.521 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CCCCN1C(=O)C(F)(F)F)C(=O)OC(C)(C)C 1452199662 XFDPTCWVZNUVNX-CYBMUJFWSA-N 405.417 1.916 30 10 HDEE COC(=O)C1CC2(C1)CN(CC(=O)NC1(C#N)CCC1)C[C@H]2C(=O)OC(C)(C)C 1460753579 LSYFVXDOGWBJNG-CHWWFWEZSA-N 405.495 1.392 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)s1 1465727765 IZPDHSCZUUGVEV-AWEZNQCLSA-N 408.549 1.580 30 10 HDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)NCC#CCO)c1 1467504333 QSVUKBPUGCWJKU-AWEZNQCLSA-N 402.447 1.691 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1468182162 FCWROAUKYXWZIC-HZPDHXFCSA-N 420.485 1.868 30 10 HDEE C#C[C@@H](NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1)C1CCOCC1 1468717282 UTRODIAFCFULOR-LEWJYISDSA-N 412.534 1.612 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCc3ccccc3NC2=O)c1 1469664434 IGEWBTWZEXBGJV-KRWDZBQOSA-N 401.419 1.806 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2)nc1 1469763488 CQMCHIABSWTABI-SFHVURJKSA-N 405.458 1.785 30 10 HDEE CCCn1c(C)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c2cc(OC)ccc21 1470359942 DQOFENDRRRRSAT-UHFFFAOYSA-N 409.446 1.932 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1 1470478101 WMMCFHPCUDBQRU-INIZCTEOSA-N 412.389 1.479 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)cc1 1475664416 BBPSXOSKNXDKPB-UHFFFAOYSA-N 407.536 1.935 30 10 HDEE CSCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1505244719 DJIQZLVRYJNGCM-CYBMUJFWSA-N 404.496 1.878 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1507583086 NVKWMFRATNLZKY-KGLIPLIRSA-N 421.523 1.677 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1507631332 OFZCZNKWGGUANF-KRWDZBQOSA-N 416.551 1.742 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507633567 HHNXPGCFYBBJEN-ZRZPHAQCSA-N 424.567 1.033 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1507652712 KWFJWHRGEKIWJU-LDLUVENISA-N 409.515 1.229 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)NC(C)C)CC1 1507720406 KNCBBMOQNAIQOC-UHFFFAOYSA-N 406.490 1.971 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507751958 QNAKIBQOZCQROQ-RDJZCZTQSA-N 405.568 1.889 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCC 1507764898 PDJGNASHJSGTRB-FUHIMQAGSA-N 422.599 1.755 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)C(C)C 1508139520 BRIBCGAFOCUPHZ-INIZCTEOSA-N 421.523 1.838 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508424496 MRVYPSISJONJAF-OAGGEKHMSA-N 410.544 1.049 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1510340508 BXJXDIRHASYEPO-DLBZAZTESA-N 404.515 1.359 30 10 HDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1516957396 FLYWYJINVNKGPL-UHFFFAOYSA-N 423.521 1.600 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2snc(C)c2C#N)cc1 1518978131 ANNXUEKOHKEMMN-UHFFFAOYSA-N 407.477 1.541 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN(C(C)=O)C1 1519404893 PAIAKGRWPAJBFR-BVBHFADKSA-N 418.542 1.999 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCN2CC=CCC2)cc1 1521095923 SXGXHEXMJCDSEE-UHFFFAOYSA-N 412.519 1.313 30 10 HDEE COc1cc(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ccc1C#N 1530413104 QOOPYZRTDYRYMX-SFHVURJKSA-N 422.489 1.592 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(F)c3)CC2)cc1 1534379874 VBQJDCQNVSIHDB-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE C#CCN(C(=O)[C@H](C)SCc1nc(O)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1537469147 KZROCTMIYILJGZ-KBPBESRZSA-N 419.528 1.606 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 1538267131 LPVVPMRQSQQDNS-UHFFFAOYSA-N 406.504 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1538995241 KSLXNAPVQZDXOO-MRXNPFEDSA-N 423.521 1.996 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1cnnn1C 1539176429 NIJSNCJAPOJERJ-UHFFFAOYSA-N 414.514 1.639 30 10 HDEE C#CCN(c1nnc(C)n1CCN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539206800 WBAPULYHBDPUTD-OAHLLOKOSA-N 411.528 1.080 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539257077 OLBKNLVAIUZEMP-UHFFFAOYSA-N 416.485 1.861 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1539432677 OZDQPJMHSMVWNV-OAHLLOKOSA-N 417.329 1.273 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CC(N)=O)C1 1539613067 UDICCTAGJLEEFZ-JZXOWHBKSA-N 418.542 1.489 30 10 HDEE NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)C#Cc3cccs3)CC2)cc1 1540420230 JRQKSRSSVXYVPY-UHFFFAOYSA-N 417.512 1.624 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CC[C@@H](C(N)=O)C1 1540874582 LUMWWZOPRNHMPZ-MRXNPFEDSA-N 412.494 1.088 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)c1 1542087887 JKKZUPJZZMNSRY-MRXNPFEDSA-N 412.533 1.028 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCCC(N)=O)c1 1542868096 MTPKFGKQRCLJRE-INIZCTEOSA-N 416.478 1.537 30 10 HDEE CN1C(=O)CS/C1=C\C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1543679700 PSXAKBZBXJYKTG-NVMNQCDNSA-N 414.466 1.561 30 10 HDEE COc1cc([C@@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1OCC(C)C 1543774244 BUBCYHHXGMPOOG-CYBMUJFWSA-N 400.435 1.741 30 10 HDEE C[C@@H]1N(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1545138823 FLGLTMRYRNJTQV-WMQDPJMESA-N 400.483 1.686 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1545696545 RAQKVQPPWLOKAY-KBPBESRZSA-N 415.498 1.906 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCO)CCOCC(F)(F)F)c1 1545911394 DYAIXPCFPRNFFV-UHFFFAOYSA-N 412.361 1.136 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)Nc3ccc(O)c(S(N)(=O)=O)c3)CC2)c(F)c1 1547268309 PCTDUXHZVHWSOT-UHFFFAOYSA-N 418.450 1.905 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1Cc2cncn2C1 1556699539 VGEHEURCTYMVML-BBRMVZONSA-N 401.492 1.222 30 10 HDEE COc1ccc(-c2csc(NC(=O)Cn3cc(C#N)c(O)nc3=O)n2)cc1F 1558901258 FYGAOZUWITUUCD-UHFFFAOYSA-N 401.379 1.730 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@H]1CCCO1 1562645990 HECYZUPPJKDZHV-DOTOQJQBSA-N 407.492 1.232 30 10 HDEE Cn1c(=O)oc2cc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c(F)cc21 1570189620 FFEBGKYZTFVYKV-UHFFFAOYSA-N 418.406 1.338 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCOC3=O)C2)C1 1584792514 KMZFVGLZAKJGMG-CHWWFWEZSA-N 406.483 1.732 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)Cn3cc(Br)c(O)nc3=O)CC2)nc1 1585232317 OUDISWJZSILCCN-UHFFFAOYSA-N 418.251 1.384 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1587585604 CJHTZYBVPCQGRZ-OAHLLOKOSA-N 413.503 1.214 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NCC 1587931904 FGSQUQJDUWLUOE-UHFFFAOYSA-N 417.535 1.580 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCc2ccccc21 1587990484 YGSDCELFDVWLPO-SFHVURJKSA-N 413.547 1.702 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccco1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588034460 GITCPUNLQQTRKB-ROUUACIJSA-N 419.551 1.889 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOC2=O)cc1 1588121126 ZWXXJECOVLANBT-UHFFFAOYSA-N 415.457 1.756 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1588843718 FKUXHCFOGZXHCP-CABCVRRESA-N 416.565 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1588891643 RQODVTTYEAQPOY-GDLZYMKVSA-N 413.547 1.479 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1589048070 TYWCMRWAPVSZEU-FTRWYGJKSA-N 416.551 1.818 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589060209 OOSNVAPNECJLPU-APWZRJJASA-N 424.592 1.901 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1593747419 VWKNHKKXHVPPCQ-KRWDZBQOSA-N 407.515 1.060 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCCO)CC1 1594229379 MBWSGMVSWZZVDQ-ZWKOTPCHSA-N 402.543 1.478 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1594807486 QFLKQHVIQCFLEO-HOTGVXAUSA-N 400.487 1.255 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1595218480 LLTUZLXRGRGCBC-GFCCVEGCSA-N 421.445 1.037 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1595570142 YSDSJAIOGRZVNB-ZDUSSCGKSA-N 400.449 1.606 30 10 HDEE C=CCNC(=O)Cn1c(N2CCNC(=O)[C@H]2CC)nnc1C1(c2ccccc2)CCC1 1595602892 UJXOYHISNGZDIE-GOSISDBHSA-N 422.533 1.765 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1598350210 IOEAJBIAADEZFE-GDBMZVCRSA-N 402.447 1.825 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1602996681 PSPYTNSBZBEWFP-DGSCNEQVSA-N 401.529 1.285 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1602996682 PSPYTNSBZBEWFP-DIODGJHASA-N 401.529 1.285 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1607581902 KYWRKBCTLPSLEV-OTWHNJEPSA-N 418.542 1.258 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2CC(=O)N(C)C)CCOC1 1610404914 ZQHGBGZUEAEUJH-HXUWFJFHSA-N 404.515 1.537 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(NCCNC(C)=O)C[C@@H]1C)C2=O 1615245091 XFZYXGDNCBMJSO-WVDJIFEKSA-N 422.865 1.890 30 10 HDEE Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1616347990 UNUVVJHLUHOXMA-NRYCMEERSA-N 412.368 1.976 30 10 HDEE CN1C[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)NC1=O 1616675189 MPNUJRDWNBVMKC-CABCVRRESA-N 406.284 1.182 30 10 HDEE CSc1cccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c1 1617480533 DXHBTEVZYPNNGO-TYILLQQXSA-N 419.528 1.158 30 10 HDEE CN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1617754671 OCMWWDDZYONKIP-STGLLQLASA-N 400.483 1.687 30 10 HDEE C#CCN(C(=O)c1cc(-c2c(C)nn(CCCC)c2C)[nH]n1)[C@H]1CCS(=O)(=O)C1 1626435233 UXOUCGZHIWFVSY-INIZCTEOSA-N 417.535 1.953 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ncco1 1627600850 WDQNUPBSZAZKTG-INIZCTEOSA-N 410.455 1.813 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 1627800042 HJAHSLRTZZVNKO-CSODHUTKSA-N 406.527 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1628385796 FAXLEBCAURJYSE-NSERTSAKSA-N 410.446 1.224 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CS1(=O)=O 1628692234 MXBLJXLXLGZTAI-XBFCOCLRSA-N 409.895 1.646 30 10 HDEE C=C(C)COCCNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1631477396 MLODRJVEOATIPH-HKUYNNGSSA-N 410.536 1.643 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 1632611321 VYZZXVCJXALYFW-KRWDZBQOSA-N 420.878 1.958 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1632887645 MCRGVPRUTAWXGY-UHFFFAOYSA-N 416.477 1.518 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)ccc1F 1633151486 XXMLTWIRSOKQPW-NSHDSACASA-N 420.331 1.578 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc1 1635204180 GQALWUKHRQSAKS-GDBMZVCRSA-N 421.519 1.726 30 10 HDEE COc1ccccc1-n1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCN(O)C1=O 1636546179 KUHVPVINBODYBA-QWQRMKEZSA-N 400.435 1.455 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)NC(=O)OC(C)(C)C 1637278046 DXMGQXQSVPNIKV-STQMWFEESA-N 410.496 1.254 30 10 HDEE CC(C)n1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1Br 1637515457 VFQNMQHISKOKTH-UHFFFAOYSA-N 407.228 1.058 30 10 HDEE N#Cc1csc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)n1 1639618662 CWCWMUKIGWLYQP-UHFFFAOYSA-N 412.518 1.091 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1 1640228859 AAASXAGISCKICV-INIZCTEOSA-N 418.437 1.477 30 10 HDEE CC1(C)[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1N1CCOCC1 1640588111 FMOOZLMJMLGMMD-DLBZAZTESA-N 409.483 1.352 30 10 HDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1640588114 FMOOZLMJMLGMMD-SJORKVTESA-N 409.483 1.352 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1641574288 JJPYRPOEBMZJDQ-SJLPKXTDSA-N 406.529 1.350 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(F)cc2C)CC1 1644285680 WOBWETFPYBUIOL-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE C=CCN1CC[C@H](N(CC)[C@@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1647784819 VHZVXWQTTSLIJE-ROUUACIJSA-N 422.570 1.953 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)c1C#N 1648036938 KNTZWRPYZAGHNB-OAHLLOKOSA-N 402.520 1.726 30 10 HDEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648155204 AGBCBGMQJHJALY-DJPFJPOOSA-N 417.531 1.536 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[C@@H]1N1CCC(O)CC1 1650739537 NIFTVJIOCRPIHR-UXHICEINSA-N 410.522 1.644 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 1650846056 IEYSUKJXYBOTIR-AWEZNQCLSA-N 417.453 1.496 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653199802 JCJAQWYZPZNBSS-VWEPTKNGSA-N 404.488 1.061 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)COc3cccc(Br)c3C#N)C2)[nH]n1 1653475020 MAPVYVZANYJGBC-UHFFFAOYSA-N 419.235 1.835 30 10 HDEE C=CC[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1ccncc1 1654340816 NFSWOIUKHIYFGN-HNNXBMFYSA-N 408.462 1.819 30 10 HDEE C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)OC(C)(C)C 1654657658 AGUNUYOFDBKETE-PBHICJAKSA-N 421.519 1.663 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cccc(C(=O)OC)c2Br)CC1 1657038198 AWRFHCSSAPJZKQ-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1659142269 GFOKXPFZYVPRPJ-LJQANCHMSA-N 403.548 1.396 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 1660306236 PYNXVFHVISQODW-UHFFFAOYSA-N 403.460 1.750 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)CCC1 1673749412 BOYANJLLJQGUIU-UHFFFAOYSA-N 416.425 1.814 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCCC1 1682416693 MJAALJOOZNTWAE-UHFFFAOYSA-N 421.479 1.695 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1683190022 KSTNKILZCUPMGT-IAGOWNOFSA-N 411.524 1.270 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)N3CCN(CCC#N)CC3)C2=O)c1 1685336132 DTWGPBHSOJMFND-GOSISDBHSA-N 401.467 1.050 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCCOC 1689848248 RHILPIIHGXSBEG-INIZCTEOSA-N 424.505 1.703 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941273 LJKDEWZOWGRORM-JXFKEZNVSA-N 403.483 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1cccn1 1690046158 ZBJVLHUMRUUCMY-IBGZPJMESA-N 413.485 1.926 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1690212385 KGTPNQRHNWQKHO-FGZHOGPDSA-N 407.474 1.872 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690253214 NUPXOBQXRMOXBF-JZXOWHBKSA-N 412.556 1.809 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690490103 PFVPYKQSFLWKLT-GOSISDBHSA-N 402.543 1.525 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(C(N)=O)CCOCC2)C1 1690694459 ORJRGNTZLLXOLL-INIZCTEOSA-N 414.510 1.347 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC(F)(F)F 1705475213 KDRQDBXNBOPFJN-NSHDSACASA-N 402.421 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1705493275 FVIIJGPLUQPYDJ-LSDHHAIUSA-N 404.515 1.992 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1705553573 SDYDPHWFMZQOLA-PXNSSMCTSA-N 405.568 1.797 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705598553 LMLHWXNJJUPGJU-FCGDIQPGSA-N 418.563 1.847 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1705604836 UYZLTEXOAPJOSO-HUUCEWRRSA-N 408.528 1.244 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705725774 QIRSAWRVPCXLKS-BEFAXECRSA-N 420.539 1.242 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1706201849 AVMZWCNBNLLTGL-UHFFFAOYSA-N 403.508 1.601 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1708176392 XWZFQECDKHTLNA-AWEZNQCLSA-N 401.430 1.997 30 10 HDEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1712394819 KDYKHRAIDZLVQG-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)C1 1712875324 BVOIPIULRQNXRQ-SFHVURJKSA-N 410.375 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1722285188 UEAGXWBXGRRIOZ-OAHLLOKOSA-N 403.508 1.650 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722305652 CAUZGIAKNFOTAX-KRWDZBQOSA-N 402.543 1.913 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1cccc(C(=O)N(C)C)c1 1722379533 SHVICNBHFSBRCL-UHFFFAOYSA-N 413.485 1.752 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NC(C)C)CC1 1722433963 HGQLIAFQPVOZOP-UHFFFAOYSA-N 415.929 1.663 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722629484 SLDQJKGYJYIZPV-INIZCTEOSA-N 417.539 1.440 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCS(=O)(=O)C1 1722635422 QIDHTJQXJFQILV-QGZVFWFLSA-N 407.452 1.025 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CC#N 1722730127 JLIOXVYUCZASEA-OAHLLOKOSA-N 405.528 1.479 30 10 HDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1729337719 IWHWJUVHUWMPGD-WIYYLYMNSA-N 419.549 1.845 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1729345738 JNSKCVBESZTZBZ-HNNXBMFYSA-N 410.544 1.194 30 10 HDEE CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1730972163 MXRDDWBXAMGRNK-NTQBQHRXSA-N 418.498 1.721 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CCOCCCO)c1 1731179099 MXJXQYRRUJVVGU-IBGZPJMESA-N 422.493 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1740558097 QXVRUKWOXIHMGF-KUHUBIRLSA-N 403.508 1.533 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNC(=O)C1CC1 1740631910 YKJQXKBBASPHIA-UHFFFAOYSA-N 413.485 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCCC2=O)c1 1740637036 NVXREEATYJAGPT-UHFFFAOYSA-N 413.485 1.927 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1740638823 MXDRFRVOQIZXDH-JKSUJKDBSA-N 418.457 1.207 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC 1740684700 ZDZLKQOJQZSELO-UHFFFAOYSA-N 410.478 1.315 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2Cc2cnn(CCOC)c2)CC1 1740694078 XRKRTMDECXUWBR-UHFFFAOYSA-N 419.533 1.900 30 10 HDEE C=C(Cl)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1740816230 ZAGLLOGUWSTMSY-MRXNPFEDSA-N 406.936 1.554 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740843442 HYSBFXUSEUNDOK-JKSUJKDBSA-N 406.531 1.818 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(-n2cncn2)nc1 1740939965 ODZVEBOCHLAAMQ-UHFFFAOYSA-N 405.466 1.936 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1740946325 IQMFUVMDJIPLCN-GFCCVEGCSA-N 400.405 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1740985088 BDYHGGGGKZPFDH-LJQANCHMSA-N 420.539 1.245 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1741847430 NOJJJCPHDQIZLT-YSHGAJCASA-N 407.522 1.923 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1OC 1748670035 QVASNPNUTXSIGJ-INIZCTEOSA-N 414.466 1.217 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)N2CCOCC2)CC1 1748993807 MUVRGPSEJDISKO-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](C2CC2)N(C)C)CC1 1748994845 UDCRHXGFJNTGOK-QFIPXVFZSA-N 422.577 1.995 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2F)CC1 1749009336 PACOWASXYHNXNA-UHFFFAOYSA-N 421.480 1.832 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749666574 MWPDADVWGXBLOB-INIZCTEOSA-N 424.465 1.220 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1760143268 AVRSAHVUSAESFA-SVMVAKDDSA-N 415.538 1.791 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760153263 LZHZCASLQVBZHF-BBWFWOEESA-N 416.526 1.010 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(-n2cccn2)c1 1760248690 CNWBUXGHWMADHQ-IBGZPJMESA-N 421.505 1.887 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCCC1 1760253921 ZBCMEAGINUZTHP-UHFFFAOYSA-N 417.535 1.661 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1760352791 YEVBEJPNMYWRRL-YJBOKZPZSA-N 410.544 1.611 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760451391 HVHIXKUARVMRTR-SFHVURJKSA-N 418.542 1.836 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1761217141 GUTFRPSQYDZZLB-KUHUBIRLSA-N 400.462 1.317 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NCC(F)(F)F 1762185898 CPXGYLRCHNUCDI-NSHDSACASA-N 417.436 1.471 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1766157543 FDGJZTOGWJXQDV-JTDSTZFVSA-N 424.546 1.497 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)CC1=O 1850570884 VSWUWTBGUYXVRX-MGPUTAFESA-N 408.458 1.987 30 10 HDEE COc1ccc(OCC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1851255743 JZLMFSYRJMPCLM-UHFFFAOYSA-N 406.446 1.603 30 10 HDEE COc1cccc(-n2c(C)nn(CCCC(=O)NCC#CCN3CCCC3)c2=O)c1 1852807216 YAYYJEICFQZWLL-UHFFFAOYSA-N 411.506 1.347 30 10 HDEE CN(C)c1ccnc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1 1852880230 ZDTAZCZUWKCNHV-FQEVSTJZSA-N 410.474 1.956 30 10 HDEE CS(=O)(=O)CCCNC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1853217288 GBVIWWOXJMKZGR-UHFFFAOYSA-N 400.504 1.874 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)[C@@H]1C 1854311283 CMNPZZUCKHENPS-INIZCTEOSA-N 405.520 1.333 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CCC(=O)N1C 1854615233 UTDGJUGEASIEDB-UKRRQHHQSA-N 402.882 1.700 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c(OC)c1 1854957376 XMLZUVSSNBKNMC-IAGOWNOFSA-N 414.506 1.755 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)CC1=O 1855575789 WVZRJVFEJYJWEY-INIZCTEOSA-N 407.467 1.656 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCN3CCCC3)ccc21 1855814763 RIJUMEOZCBYEGV-UHFFFAOYSA-N 405.520 1.785 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)CC1=O 1856382084 AUCDGZNFIWIIRO-GFCCVEGCSA-N 409.368 1.038 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856518796 OZTFPAGZADKIPN-PBHICJAKSA-N 405.462 1.244 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1856869236 ZOHBDKHLNOWBTI-SFHVURJKSA-N 419.547 1.172 30 10 HDEE C[C@@H](CC(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1857071907 WBENHPJAVPRDCW-FUHWJXTLSA-N 407.478 1.051 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860945252 OTBFLKVKHXRIDN-OAHLLOKOSA-N 403.870 1.500 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206062 CPOKCFRYNRWTCT-WDSOQIARSA-N 405.926 1.816 30 10 HDEE C#CCOc1cn(CCCN(CC)CC)c(CN2CCC(C(N)=O)CC2)cc1=O 1870562038 NVOGQBDVBSOYLE-UHFFFAOYSA-N 402.539 1.290 30 10 HDEE CN(C)[C@H](CN1CC(=O)C(c2nc(O)c3ccccc3n2)=C1N)c1ccc(O)cc1 1872729989 DTNJLPOMFISKDG-QGZVFWFLSA-N 405.458 1.856 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc2)C1=O 1891164868 UVVBQEBDSRKIQB-KRWDZBQOSA-N 406.446 1.904 30 10 HDEE COc1nccnc1N(C)CC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 1891577281 ZTKZXXXSIRWVSZ-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1891705591 AELVZQZLKCGZHJ-ZDUSSCGKSA-N 402.925 1.805 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046032148 IAKNWUOVVRJMOK-GOSISDBHSA-N 412.439 1.303 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#N)c1 2066561617 BJCGIYKQJNFYOO-GOSISDBHSA-N 402.407 1.141 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC[C@@H](C#N)C1 2174780752 XVRUASDFZKNWKK-GJZGRUSLSA-N 402.517 1.034 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N[C@H]1CCC[C@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174781821 JIRIKLYIECEQBR-OWCLPIDISA-N 400.545 1.682 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174784279 MFYYZGAUEOPBIE-XUJLRWBJSA-N 420.557 1.478 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)CC1(F)F 2174786342 IXQPTPKWYUTSMZ-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)N1CCCC1 2186597218 KTQPFUHTNGIREY-GFCCVEGCSA-N 401.363 1.776 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](CN)C(C)(C)S(C)(=O)=O 2194761068 KWCXIFXYZSAORC-INIZCTEOSA-N 401.573 1.472 30 10 HDEE Cn1cc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912930 NVAOOXJJQAVRER-CHWSQXEVSA-N 420.319 1.362 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCN=S(C)(C)=O)c2)OC1(C)C 2267418488 JORNWGHVFBUUJA-UHFFFAOYSA-N 408.376 1.053 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282317586 SZIAXMIBAUXMKG-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CN(C)[C@@H]1CCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335268 NFEMJVNXUMMFBJ-ZIAGYGMSSA-N 400.375 1.808 30 10 HDEE C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340040 ANTYWKAIBOSLAK-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CC=CCO2)OC1(C)C 2282506031 MFNGDYUNYMHZSF-GFCCVEGCSA-N 400.331 1.207 30 10 HDEE Cc1c(C(=O)N2CCCC[C@H]2C2OCCO2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282563371 DQFDIULUCTXYKM-AWEZNQCLSA-N 405.304 1.395 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCCS(C)(=O)=O)c(Cl)c2)OC1(C)C 2282813630 DXWUXPOFLKWJND-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282832532 ALICLVWGQVLKIM-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNC[C@H](C)C1 2282832589 QCXZRDFRSYUCDS-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)NCCCC2(N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282839737 ILSIMFUIOHXLGZ-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE CN1CC[C@@](C)(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282842952 FZGBZVBPOGHIDS-QGZVFWFLSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@](C)(=O)CC3CNC3)c2)OC1(C)C 2282847891 GEBKNQDTXBKNLS-RUZDIDTESA-N 420.387 1.053 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N=S3(=O)CCOCC3)c2)OC1(C)C 2282864635 IYCFDFXLBHGQJS-UHFFFAOYSA-N 401.315 1.173 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(C)CNC2)c1B1OC(C)(C)C(C)(C)O1 2282869961 KUHXVLLFFHNPGQ-UHFFFAOYSA-N 400.375 1.552 30 10 HDEE CC1([C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(=O)O)CC1 2284415523 YEJDUXBVEFMDJY-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)CNS(=O)(=O)c2ccc(C#N)s2)C1 2288510523 DGBBDJCJKSTMAV-UHFFFAOYSA-N 423.463 1.515 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300231210 UQPBCTLBGYAJJJ-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C#CCC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338847947 QXIJATHHZGMYNM-QGZVFWFLSA-N 420.487 1.629 30 10 HDEE CCc1csc(C#CC(=O)[C@H](O)c2cc(I)nn2C)n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c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1 53159095 JDITXETWJRNROA-UHFFFAOYSA-N 412.450 1.055 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)ccc1Cl 55977738 MDKXAZGMTFYTFD-UHFFFAOYSA-N 410.883 1.745 30 10 HDEE N#Cc1cccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)c1 85808851 MGQZBVBJLAUDDD-UHFFFAOYSA-N 412.431 1.973 30 10 HDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#Cc1ccccc1C(F)(F)F 96352497 QOEBEGNBNHCUGJ-UHFFFAOYSA-N 402.394 1.515 30 10 HDEE COc1cc(-n2cc(C#N)c(=O)[nH]c2=O)c(Br)cc1Br 234965539 YEWOPHRBNIUZIV-UHFFFAOYSA-N 401.014 1.931 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)CC2=O)c1 238814525 BDAZCFOHBBYGRB-YJBOKZPZSA-N 421.457 1.780 30 10 HDEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 410074242 KCMJSIJQAWWNTL-HNNXBMFYSA-N 411.480 1.357 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCNS(=O)(=O)c2ccc(C(C)C)cc2)C1=O 410117850 JLAZFEGEKNFLQY-GOSISDBHSA-N 407.536 1.724 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2=O)cc1 438315208 LBTXEMIMGBJVAX-HXUWFJFHSA-N 404.470 1.488 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccc(F)cc2)c1=O 440389172 YADGYLZSGMBUAX-UHFFFAOYSA-N 409.442 1.721 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)[C@@H]3Cc4ccccc4O3)CC2)o1 441049918 WRQPVWMVAWRVSC-QRWLVFNGSA-N 409.490 1.827 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)C3(c4ccc(C#N)cc4)CC3)C2)cc1 444253581 YHQWHEIECMLPJT-UHFFFAOYSA-N 411.483 1.788 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461751741 ZNBQUMIRJZJKRZ-NSHDSACASA-N 402.461 1.506 30 10 HDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 463344911 NURWJRRWUIDSRN-UHFFFAOYSA-N 401.496 1.770 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cnn(CC(F)(F)F)c3)CC2)n1 476221140 SBUQNJVFLIJSIL-UHFFFAOYSA-N 400.386 1.223 30 10 HDEE C[C@@H](CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[S@@](C)=O 482940003 ZGDAPACEROJIRZ-CFJPQMKISA-N 405.480 1.795 30 10 HDEE N#CCCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 487346712 RQESLAGKWAZZBO-KURKYZTESA-N 403.504 1.573 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3CCNS(C)(=O)=O)cc2C1=O 488320677 FUKBJAQQUJWNRM-HNNXBMFYSA-N 419.503 1.403 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCC[C@H]1[C@H]1CNC(=O)C1 490646444 FFVKKRPAZMHSEC-MJGOQNOKSA-N 415.538 1.942 30 10 HDEE COc1cc(C#N)ccc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 501257479 QLCBHIYAHXXHNI-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccccc3Cl)c2C)CC1 504980567 XMRABSMKTCVACA-UHFFFAOYSA-N 402.886 1.289 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513791374 NLKDOCFZEVSVDV-LJQANCHMSA-N 401.419 1.938 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 519528291 GHMPFMXNEPSIEV-SFHVURJKSA-N 412.494 1.368 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(-n3cncn3)c(F)c2)c1=O 523305957 YILVXNOQPSDGDL-UHFFFAOYSA-N 423.473 1.522 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 532457294 YDEIRDCIGCVCRU-OAHLLOKOSA-N 415.471 1.427 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C[C@@H](C)C#N)C3CC3)CC2)cc1 533141113 UVKDXEGGDIDNNY-KRWDZBQOSA-N 404.536 1.452 30 10 HDEE CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549417972 OGZHAAYKMNVQOO-MRXNPFEDSA-N 416.507 1.184 30 10 HDEE CCN1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1cc(F)c(F)c(F)c1 554016041 QBUHDWSLFBPVNP-RHSMWYFYSA-N 407.400 1.702 30 10 HDEE CCOCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1CC 555083154 SBCNEAHFELGBKX-UHFFFAOYSA-N 404.496 1.217 30 10 HDEE CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2S(=O)(=O)CC2(C#N)CCC2)CC1 569509755 ZCQKCQAPWJOFDO-IBGZPJMESA-N 416.547 1.605 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2C[C@@H]2CCCO2)cc1 578673064 GPLFCADPJVFRGN-WMZOPIPTSA-N 423.477 1.122 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(CCc3ccccc3)C2)CC1 604192112 OWFFFTLUZCKBGM-NRFANRHFSA-N 413.566 1.180 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3cccc(OC)c3)C2)CC1 605059952 IXLQODCAMULKPZ-GOSISDBHSA-N 415.538 1.293 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)ccc1F 609134128 PBOGOEAXKNZUCP-UHFFFAOYSA-N 417.462 1.975 30 10 HDEE Cc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cccc1C(=O)N1CCOCC1 609255746 KJLMEJZDNSZGNS-UHFFFAOYSA-N 424.432 1.733 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccncc3)C(=O)OCC)cc2C1=O 616168437 FVNMZROYMYUVER-GOSISDBHSA-N 407.426 1.768 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC)CCN2C1=O 619815638 CBKBIYUYDRSDTH-MRXNPFEDSA-N 409.450 1.221 30 10 HDEE O=C(O)C#CCNC(=O)c1ccc(I)c(Br)c1 721551287 QHZWIVKRHAQSMP-UHFFFAOYSA-N 407.989 1.872 30 10 HDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)c1 727418327 QAISZPJQYFRMJB-UHFFFAOYSA-N 411.458 1.967 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cc1OC 729250942 POTDMIVPRIPVQT-SIJIIQCFSA-N 401.463 1.126 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730139939 DBGGHEQSVXSNSP-MRXNPFEDSA-N 419.551 1.049 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731213474 DAUIRGNMASMEQX-ZWKOTPCHSA-N 420.531 1.490 30 10 HDEE CC(C)[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)n1nnc(-c2ccccc2)n1 732153154 GCPPLJBKRVZNKJ-DOMQTXCISA-N 409.450 1.180 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccccn3)c(F)c2)CCN1C1CC1 746796317 KNSKCJUKOPRTGZ-SFHVURJKSA-N 423.448 1.937 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCCOC1CCOCC1 755942895 LQHTUZNODHEDFA-QGZVFWFLSA-N 424.519 1.879 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 760301765 YASNXCZFRLIKBB-HUUCEWRRSA-N 421.498 1.697 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 771864611 FFQGOTKOGABXFK-UHFFFAOYSA-N 410.478 1.474 30 10 HDEE CCC1(CC)CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCS1(=O)=O 777581197 UVSHTQPEVYZNCH-UHFFFAOYSA-N 418.519 1.569 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 783551335 GHNHCPZTJADCOM-MRXNPFEDSA-N 406.446 1.905 30 10 HDEE N#C[C@@H](C(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)NCc1cccc(Cl)c1 786541043 VOJZYIBADSTRSA-HNNXBMFYSA-N 410.817 1.781 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1 787975978 WYDLWDQGGJNMOW-GFCCVEGCSA-N 411.455 1.622 30 10 HDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)NC1CCN(Cc2ccccc2)CC1 798744783 BXLZKYMECOYFMW-HOTGVXAUSA-N 410.478 1.423 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 803699216 VUFBBZMRKYRJHC-UHFFFAOYSA-N 420.425 1.661 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)Oc1ccc(C#N)cc1 807923585 FYKAJVHKDAHVJU-FOIQADDNSA-N 403.442 1.981 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CC1 808738574 UQFZKYKHTZBENH-UHFFFAOYSA-N 405.520 1.259 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC(=O)N(C)C[C@@H]1C 812187851 GJOMGNWNCSKOJA-INIZCTEOSA-N 412.494 1.948 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2CC(C)C)n1 812250585 OMUMYNBQZITNKN-SFHVURJKSA-N 402.499 1.505 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)CC2)cc1Br 816057749 NJRTZGURZHVOQP-SECBINFHSA-N 400.254 1.042 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1116540383 PSWJXBZSDSTXEQ-MSOLQXFVSA-N 423.535 1.630 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1118797094 HMXJAOFZZCQYPA-ZHRRBRCNSA-N 423.473 1.453 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 1124585451 OMTPQILFFISYGL-WBVHZDCISA-N 409.508 1.161 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3ccnc3)nc2)s1 1136165034 MXTKDQUVFKBYME-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 1136335229 SFSJIQSDNIAQCG-UHFFFAOYSA-N 403.464 1.308 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1152685615 IAMAWIGRLJFPKN-MRXNPFEDSA-N 403.435 1.134 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CCC[C@@H](C#N)C3)ccc2F)CC1 1177388897 HGYPNIQWDHHULC-HNNXBMFYSA-N 422.482 1.054 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1177759014 JUADNKBHUUOTTP-KKSFZXQISA-N 404.511 1.746 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCOc1ccc(S(N)(=O)=O)cc1)C2 1179869660 GRPJMKWZDNROGE-UHFFFAOYSA-N 406.489 1.203 30 10 HDEE CCOC(=O)c1cc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc(C)n1 1184766636 IDBGZHAOQDDLNH-UHFFFAOYSA-N 415.475 1.344 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1196766719 NOLJAKIKLMGIJF-KRWDZBQOSA-N 409.508 1.886 30 10 HDEE C#CCC1(NCC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CCOCC1 1197911984 RXWJSRLVTGAPFU-OAQYLSRUSA-N 412.490 1.123 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1211970573 FGMBYPRAOYNPQN-MSOLQXFVSA-N 407.492 1.754 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1213194084 MNSFUDHHFGYMBJ-IYBDPMFKSA-N 412.533 1.579 30 10 HDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2 1228018980 BTOCNGNVJQJIGV-IRXDYDNUSA-N 404.511 1.117 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1253779486 PECJZHMGAHATED-WBVHZDCISA-N 420.514 1.688 30 10 HDEE C[C@@H](C(=O)Nc1cccc(OCC#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1264602042 BQFBMQMRNVMLMM-AWEZNQCLSA-N 402.451 1.995 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1286348865 PIYCGVOSVAZEQV-UHFFFAOYSA-N 405.462 1.676 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCCCC1 1286396606 GVCQPOZMLAXPBW-UHFFFAOYSA-N 405.506 1.874 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1286409206 ITELRCNROGCGAR-UWJYYQICSA-N 418.563 1.584 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1286615150 HDTZIHKFKABJMF-ULQDDVLXSA-N 407.515 1.297 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1286720003 DPKWQXYWLXCSOA-UHFFFAOYSA-N 407.496 1.230 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(C)(C)C)C1 1286779248 HGFAXWNRFIGVRE-KGLIPLIRSA-N 412.560 1.063 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2noc(CC)n2)C1 1286807925 HOKFTZWJXCFHRT-ZIAGYGMSSA-N 401.471 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC[C@@H]21 1286814673 VNQBIOBFIRNJQD-HOCLYGCPSA-N 409.556 1.786 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1288214270 WULOKMHBUCDTDD-ZWKOTPCHSA-N 412.494 1.317 30 10 HDEE C[C@@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291041617 DPDRCBWBSVUHFV-RHSMWYFYSA-N 416.507 1.391 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1291077402 ASNKHPGYTCIDQC-QRWLVFNGSA-N 417.535 1.849 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1292890027 SPBSTXCEXZQIDO-IRXDYDNUSA-N 420.554 1.210 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2cc(F)c(C#N)c(F)c2)c1 1293032534 DSKQVFUMAOVZTM-JTQLQIEISA-N 422.413 1.502 30 10 HDEE CCOC(=O)COCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1298066767 OPFWKQYMWZZCTM-UHFFFAOYSA-N 410.268 1.453 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1300007609 LATFLDVZUQBKNX-GDBMZVCRSA-N 402.472 1.496 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(F)cc1 1300459883 XMVCVERKRBCNLZ-RDJZCZTQSA-N 406.483 1.776 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1300531687 FHOJSNNLKSQPKI-GOSISDBHSA-N 403.490 1.346 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CC)C2CC2)CC1 1300725766 JVUAUYKIXNDVBQ-GOSISDBHSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1300732782 PEVRTQYZNKGNRF-LBPRGKRZSA-N 405.446 1.550 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300756406 LNBFSMAJNFPIAH-LJQANCHMSA-N 402.524 1.336 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)cc1 1301280972 XGIJWWMBXDSTQY-SFHVURJKSA-N 418.496 1.259 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(C)COc2ccccc2O1 1301396457 ZSPNPTMMVOHALJ-JLTOFOAXSA-N 415.471 1.571 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NCc2ccccc2)CC1 1301450296 UBEJVHGYQPQOCF-UHFFFAOYSA-N 418.505 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C)CC1 1301496635 DTUBAYNVAQBNEY-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(Cc1ccnn1C)C1CC1 1301507124 XLCXNSHIAVOQFC-UHFFFAOYSA-N 406.494 1.469 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOCC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301520590 JGYPHTIGXXWWMR-GASCZTMLSA-N 420.514 1.188 30 10 HDEE COCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1301601267 ARGLMWZVMFVBLW-DXQAYGFFSA-N 418.498 1.171 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1302017435 YYMVQNFXWOGGLN-QINHECLXSA-N 407.515 1.672 30 10 HDEE CC1(C)OB(C2CCN(C(=O)C3(S(C)(=O)=O)CCOCC3)CC2)OC1(C)C 1303202644 DJRCTYKQAWJERH-UHFFFAOYSA-N 401.334 1.665 30 10 HDEE CO[C@H]1CCCN(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1303798540 ULPDYZZKUDCAFH-HNNXBMFYSA-N 408.524 1.428 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc3c(s2)COCC3)cc1 1304161624 MPWAVRFRRLHPGV-UHFFFAOYSA-N 405.501 1.100 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(C)=O 1305525420 WGVGXTDVILEKSE-MRXNPFEDSA-N 410.526 1.911 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2ccco2)CC(F)(F)F)c(=O)n1C1CC1 1307383129 AAUOXKCRQLFSFS-UHFFFAOYSA-N 410.352 1.709 30 10 HDEE COC(=O)c1cnc(CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1307908704 PBQGWMLFKBQKRI-UHFFFAOYSA-N 403.446 1.847 30 10 HDEE CN(Cc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1314758656 YUDZSJCWDNVWQV-CYBMUJFWSA-N 401.448 1.923 30 10 HDEE CO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316319447 VTJZJXPOHZHHRN-ZBBYCGENSA-N 423.477 1.015 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1316493789 HKZCATOHCLYZOB-HIFRSBDPSA-N 416.486 1.321 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)C2CCOCC2)CCCN1C(=O)OC(C)(C)C 1338945640 ABMMJPUNRDFMON-GOSISDBHSA-N 402.513 1.957 30 10 HDEE C=CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1350775957 BCYRIXRQRLMVQS-CQSZACIVSA-N 400.522 1.693 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358956670 JGQZTPYNGBSXAD-BRWVUGGUSA-N 423.583 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1358969310 MQZUNFADDSQFBR-DLBZAZTESA-N 415.519 1.429 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1358972379 CLTPJBGCZMKHOT-NRFANRHFSA-N 424.482 1.314 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H]2c3ccccc3C[C@H]21 1359000531 YDGAONSJXLYWQH-FZDIXFNVSA-N 413.547 1.934 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1359121544 VIXIEZFIGBCYOG-LJQANCHMSA-N 405.506 1.999 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359150797 GTBZOOOYAAFHFB-MJBXVCDLSA-N 415.947 1.456 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1359233748 PWYNGUXBZJLZHX-UHFFFAOYSA-N 420.535 1.902 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS[C@@H](C)C1 1359296502 LKKHHGPGLAFSHE-AWEZNQCLSA-N 415.519 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C1CC1 1359328751 NIFFXXRQYFSMGT-UHFFFAOYSA-N 424.548 1.548 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1360474765 VKFIZUSJZNNMJW-HUUCEWRRSA-N 416.482 1.940 30 10 HDEE Cc1c(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)cnn1C 1360965748 IBHGDFQAUISRNU-GOSISDBHSA-N 404.478 1.828 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccsc3C#N)CC1)C2=O 1437640952 QJWHPNFCHXQVPF-UHFFFAOYSA-N 415.519 1.769 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2c(OC)ccc(S(N)(=O)=O)c2OC)cc1 1441912356 IJYDRLZPVKVJKI-UHFFFAOYSA-N 419.459 1.519 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1445604263 FPIUUPAVYIVXFC-HJWRWDBZSA-N 416.503 1.309 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)[C@H]1c1ccnn1C 1463087046 IRGHYDWMWFFVRJ-YADHBBJMSA-N 421.501 1.986 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1463303581 GDPPBNAOYBLZJZ-SFHVURJKSA-N 403.504 1.167 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OCC 1464378905 FHDDAGGULSUWGN-AWEZNQCLSA-N 404.510 1.079 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)N2CCOCC2)cc1 1465217090 SYUXMQHDVNPVMR-UHFFFAOYSA-N 415.490 1.897 30 10 HDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nncn1C 1467229595 PDDDFPKWAAWMAX-UAWGMYSWSA-N 402.499 1.822 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](c4n[nH]cc4C(=O)OCC)C3)cc2C1=O 1470595270 XSRNMTQWNXVKKZ-CQSZACIVSA-N 422.441 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)C1 1472908201 SZXHGGRNIQMFBC-HRAATJIYSA-N 414.462 1.961 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc2c(c1)OCCCO2 1479350781 XTEBJBKZGHWKDS-INIZCTEOSA-N 422.489 1.972 30 10 HDEE CN(C)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1503389506 FJZUCHHAVJEOJP-SFHVURJKSA-N 411.510 1.103 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CCO1 1505322013 HAJXYXYMCGGQCX-UKRRQHHQSA-N 404.858 1.638 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)CCO1 1505326351 XXTCSQIHYBLFHK-GFCCVEGCSA-N 402.377 1.056 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)CCO2 1507601385 PEHRJJAGNORYMW-AWEZNQCLSA-N 403.508 1.135 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@@H]1OC 1507713748 WCECPLCINMSKQX-MOPGFXCFSA-N 416.526 1.277 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(CO)c2)CC1 1507720814 WYWMASOJNIRBNV-GOSISDBHSA-N 413.522 1.298 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1507740697 DDADQLXIWLHJLC-MRXNPFEDSA-N 413.551 1.608 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC)C1 1507774398 DGINBMHQLVYULF-ZDUSSCGKSA-N 414.304 1.274 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CN(C)C(C)C)CC1 1508071378 ISDOQERKBBAXED-UHFFFAOYSA-N 419.574 1.275 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1508095801 VODBOCPLOIPCTF-QGZVFWFLSA-N 403.527 1.555 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(OC)C2)nnc1[C@@]1(OCC)CCOC1 1508098378 ORBRWZAHCXYSFI-VQTJNVASSA-N 407.515 1.238 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(Br)cc1C#N 1530741119 TZAAJNMENJNGFP-WDEREUQCSA-N 410.268 1.436 30 10 HDEE C[C@@H]1Cn2nc(C(=O)NC3(C#N)CCN(C)CC3)cc2CN1C(=O)OC(C)(C)C 1535974568 NSTSQVPUTFUEFZ-CQSZACIVSA-N 402.499 1.740 30 10 HDEE COc1ccc(CC(=O)N[C@H](C#N)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 1536798350 RWSLNGZFZNMUGD-QGZVFWFLSA-N 421.519 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1538975578 AGQSOCIKCQCNAM-UEXGIBASSA-N 405.543 1.497 30 10 HDEE Cn1ccc(N2CCC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1539172948 RQSFLSACXWWCAB-HUUCEWRRSA-N 418.498 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1([S@](C)=O)CC1 1539291177 NNMORIFJFLNQTR-NDEPHWFRSA-N 403.552 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCO[C@H]2C)CC1 1539441817 VWGJIDKJXBYTRZ-KKSFZXQISA-N 415.925 1.894 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1541276626 IEUFKDCHJWWMSS-OAHLLOKOSA-N 401.515 1.522 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(C)COCCO2)CC1 1541991519 CICPYMVOWPQDNE-FQEVSTJZSA-N 402.499 1.450 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(OC)c1 1542122130 NNWMSIVGXVTTJZ-MODMUFLJSA-N 415.446 1.722 30 10 HDEE Cc1cccnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1542786330 GFZWQNCOTOBJIF-KXBFYZLASA-N 417.539 1.770 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@H](C)O1 1545061929 XRWCGNPVDSZIQZ-HOTGVXAUSA-N 424.505 1.869 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCc4nncn4CC3)c(C#N)c2N)cc1 1545163809 PZACTMWENAJHEK-INIZCTEOSA-N 418.505 1.928 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1 1545818616 KIMHDMBWNKHMHR-HZPDHXFCSA-N 414.462 1.682 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1548314343 BYXRMRCMTQWILP-UHFFFAOYSA-N 403.508 1.460 30 10 HDEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1(C)C 1554365026 XDBDUQJIKIJVBP-IBGZPJMESA-N 415.586 1.938 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1554890936 WOQCCFAZSYSWPO-INIZCTEOSA-N 420.473 1.896 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CCO1 1555385017 AOGVWDUMDMYSGG-GOSISDBHSA-N 423.477 1.993 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(F)F)CCO1 1555994714 KEBWZPZGIKHWAJ-OAHLLOKOSA-N 417.420 1.527 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCS(=O)(=O)C(C)(C)C1 1558624023 QEFVPKSTHVLYGD-HNNXBMFYSA-N 403.508 1.622 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C(C)(C)C1 1558624024 QEFVPKSTHVLYGD-OAHLLOKOSA-N 403.508 1.622 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(F)(F)F)O[C@@H](C)C3)CC2)o1 1560117981 LGTFGTAUDOTHHV-SWLSCSKDSA-N 415.416 1.545 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1567339325 YJUSDTXSEYKIII-LBPRGKRZSA-N 414.446 1.729 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1587739054 OZDVERWNFCUYPU-MRXNPFEDSA-N 419.493 1.391 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1Cc1cn(C2COC2)nn1 1587926850 KBLCUVKANGUHQO-UHFFFAOYSA-N 415.404 1.827 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1588074010 HCJDQVBRTVLMCS-MRXNPFEDSA-N 410.540 1.258 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(F)c1 1588180088 ASHAPCJBXBTFRX-HNNXBMFYSA-N 403.483 1.539 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1588261954 AQBXKUNBEMNMKW-HXUWFJFHSA-N 424.549 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(OC)CCOC1 1588613030 QNTGZEXOPAEVGM-OAQYLSRUSA-N 400.479 1.845 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1593696296 NAKFMCAZQULZHP-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1593741596 SSVLEPJSVXSMBJ-FGTMMUONSA-N 420.558 1.367 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1595054092 AKMYQHPJGIHRSL-GXTWGEPZSA-N 402.467 1.759 30 10 HDEE COc1ccc(COCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 1595349690 JEUIBEKNPSACDW-UHFFFAOYSA-N 420.473 1.995 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CC)CC1 1595835553 WIQGMPZDPLUVAJ-OAHLLOKOSA-N 401.529 1.223 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 1596949846 YSWRPLBEYZUPRA-UAPYVXQJSA-N 422.547 1.892 30 10 HDEE CC(C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1597847047 IHZBVXVMGAADBR-ZNMIVQPWSA-N 420.514 1.548 30 10 HDEE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607497819 NPFARWLKDVUHRO-UHFFFAOYSA-N 417.425 1.738 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 1618706696 SSXOGUOKFHUKQM-KRWDZBQOSA-N 415.885 1.241 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1619969303 OMIGCWAYDAYSNX-CRAIPNDOSA-N 412.494 1.789 30 10 HDEE COCCOCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1620071323 KYQVKROZFDLACM-GOSISDBHSA-N 411.510 1.570 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620355334 ILFJWLSDMVLIFA-ZNMIVQPWSA-N 419.432 1.416 30 10 HDEE CS(=O)(=O)N1CC[C@H](NC(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 1622866560 AHHVFMBUSCOCSW-HNNXBMFYSA-N 401.448 1.901 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(F)ncn3)CC2)c1 1624644733 ADTKNROWSOSNDQ-UHFFFAOYSA-N 402.451 1.375 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1625185224 LCNRNGXVWJLITH-HUUCEWRRSA-N 401.529 1.857 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)Cc2csc(N3CCOCC3)n2)c1OC 1628484642 IYVJMWDEQJMSGQ-HNNXBMFYSA-N 402.476 1.920 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](CCC)NC(=O)NCc1ccc(Br)cc1 1628849146 AQJCHODXQPEJPC-HZPDHXFCSA-N 410.312 1.917 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 1630034035 DEMSFMSUXHTUAY-UHFFFAOYSA-N 410.471 1.053 30 10 HDEE Cc1c(Br)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1C 1632532725 GPVLYCOUCWBEBB-WDEREUQCSA-N 412.288 1.980 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1cccn1C 1632618729 APXPXRUASORPPK-KDOFPFPSSA-N 402.476 1.164 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1 1632966789 YMNVBMRRGRQCJL-CVEARBPZSA-N 416.330 1.709 30 10 HDEE N#CCc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1 1633131381 YGHRDLITBPVCOF-MRXNPFEDSA-N 400.460 1.857 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN1Cc1ccccc1)c1cc[nH]n1 1633889395 QAMPCBYZGKTALT-QGZVFWFLSA-N 413.478 1.474 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N(CC)c2ccccc2)cc1 1634874969 LCBGTSAXQHFPRM-UHFFFAOYSA-N 401.488 1.934 30 10 HDEE O=C(CN1C(=O)CCC1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636464150 UQZIUJJNYBRVFW-KNVOCYPGSA-N 408.245 1.765 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3cn(C)nn3)C2)s1 1637285874 BRQWDNHKIGMXCJ-ZDUSSCGKSA-N 409.537 1.290 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)Cc1ccccc1F 1638423693 QNYROOFQTRLAHN-XJKSGUPXSA-N 405.451 1.084 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](N4CCOC4=O)C3)ccc2c1=O 1639968204 BWOITVFAENYKHQ-CYBMUJFWSA-N 400.460 1.538 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]1(CO)c1ccccc1 1640715642 MRBSQVVPQPJIOQ-KKSFZXQISA-N 413.499 1.735 30 10 HDEE C#C[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C1CCOCC1 1640925251 DFBGLNXCOKZTBD-SECBINFHSA-N 406.078 1.348 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](O)c1cccnc1 1642606191 FVXOEINEBLLUOS-MOPGFXCFSA-N 405.414 1.534 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]2OCCNC(=O)[C@@H]21 1644268189 UCPDBKUILCXITI-SIXWZSSISA-N 402.520 1.999 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1 1644467287 YYDDCWQEDVSWAF-IBGZPJMESA-N 400.500 1.978 30 10 HDEE COc1ccc([C@@H](NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C2CC2)cc1 1644636429 BWNKHQXFBQEGJC-VDGAXYAQSA-N 403.504 1.133 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N=[S@@](C)(=O)c2ccc(OC)cc2)cc1 1646119825 XGBZKRNUCXKBRV-SANMLTNESA-N 406.485 1.904 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1647933489 XSOAJJUJHRBORD-AWEZNQCLSA-N 414.487 1.557 30 10 HDEE C[C@@H]1O[C@H](C)[C@@H](NCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@@H]1C 1648013365 SHLCDWBNCGEZLP-GJRWTSMGSA-N 413.478 1.856 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1648719368 LRXAWRXCFIBSHB-KKSFZXQISA-N 416.478 1.922 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1651069397 RPKHFTOSFATHSV-CQSZACIVSA-N 409.471 1.183 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ncc(C(F)(F)F)cn2)c1 1655388385 CVDGMZPMMSPEMM-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655919778 YHRCCAMHNMMLTN-VXKWHMMOSA-N 424.524 1.975 30 10 HDEE C#CCn1ccc(CN(CC)Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 1659067030 XQBWPANPCFDSMJ-UHFFFAOYSA-N 411.325 1.948 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)Nc3ccc(S(=O)(=O)[C@H](C)C#N)cc3)C2)nn1 1660735767 PQIUDXDRIZGJSE-LLVKDONJSA-N 402.436 1.255 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 1671458794 GNBTVFBICSDFOP-WOJBJXKFSA-N 419.547 1.662 30 10 HDEE N#CC1(CNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)CCOCC1 1676736318 BZGADCJCONWLBR-UHFFFAOYSA-N 404.418 1.709 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@@H]1CCCO1 1677846167 YLCBXMCOHSMDSQ-HOCLYGCPSA-N 421.400 1.990 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 1684032753 ZVHWITASBCFNQU-IBGZPJMESA-N 405.520 1.272 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccc(OC(F)F)cc3F)C[C@H]1CS(=O)(=O)C2 1684713238 QDHMQKGGUDERBQ-ZBEGNZNMSA-N 403.382 1.507 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCC4(CCC4)O3)CC2)cc1 1684823217 DCRACHHSEUCSNL-KRWDZBQOSA-N 418.519 1.676 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1689961034 IPDCUSIBSFWKTO-UHFFFAOYSA-N 400.464 1.098 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1689984587 RDGMHRGTWPPGSB-KRWDZBQOSA-N 402.520 1.997 30 10 HDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1689997159 WWWUPMIBDIMGPD-KRWDZBQOSA-N 411.487 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1690032485 CBVFXBCBGWREPR-QZTJIDSGSA-N 420.583 1.083 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1690120456 VQNORYIMSIEZOP-RTBURBONSA-N 408.554 1.611 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCSC)CC1 1690132871 ZKBHJNGIDCEIJR-UHFFFAOYSA-N 418.592 1.778 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C)CCC2)CC1 1690134978 NLVQOYDDZRHCHG-UHFFFAOYSA-N 412.538 1.670 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690157916 SFZBKXDHMQMGDH-KKUMJFAQSA-N 410.496 1.483 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 1690181089 OYZOFDLSWPCCPO-UHFFFAOYSA-N 404.584 1.545 30 10 HDEE C=C(Br)Cn1c([C@H](C)CC)nnc1N(C)CC(=O)N1CCOCC1 1690219529 GUYNWSJIBQSKGM-GFCCVEGCSA-N 400.321 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690249377 XLSCJCHRXMPZGK-FVJLSDCUSA-N 410.522 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@]2(CCOC2)C1 1690662999 IZXDMBNCVXWGIE-FQEVSTJZSA-N 412.450 1.772 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1690671327 UBZYUODRXUKJAK-DLBZAZTESA-N 418.542 1.515 30 10 HDEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1705521060 PDMDSLIQCHXOEZ-UHFFFAOYSA-N 418.519 1.904 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc2c(c1)CCO2)[C@H]1CCS(=O)(=O)C1 1705560343 FZFHCJAHFOBMFP-SFHVURJKSA-N 400.504 1.391 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCc2n[nH]c(C)n2)CC1 1705640909 KBQMQYNSYIJVHQ-UHFFFAOYSA-N 404.522 1.602 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCC)CC1 1705700804 YRWVNZRRQCWHQT-QUCCMNQESA-N 416.570 1.785 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705897181 HTNRHAIMKYMZIE-QFBILLFUSA-N 400.531 1.142 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705903136 QXKKOSVRUWIKJN-SJORKVTESA-N 403.527 1.606 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705908103 HZUOHKLMDVTQGT-CALCHBBNSA-N 415.519 1.743 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cc(C)on1 1705909165 PJSXXTNALQNLQE-YOEHRIQHSA-N 404.471 1.237 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1705924159 TXIHVPNMFAGUMC-CABCVRRESA-N 403.449 1.885 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1706913408 KVXDWJYXOFQHID-YJBOKZPZSA-N 419.457 1.685 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)CCOC1 1710456446 BBXYVUAJVACMKP-NSISKUIASA-N 423.489 1.568 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711054023 XORLDFRRWXGBEY-VLGSPTGOSA-N 415.498 1.033 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1712052889 ABXNVOKYRLGOMX-KRWDZBQOSA-N 418.523 1.323 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1722307041 QJRRCBRTLAPEOP-UHFFFAOYSA-N 408.510 1.434 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1722366573 HXWUVKSNMBSUTD-FGTMMUONSA-N 422.551 1.102 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1722415858 UQXQCLNLMFPIOI-UHFFFAOYSA-N 414.535 1.749 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(O)c1 1722420991 JGBJRRALKSQFOO-NRFANRHFSA-N 400.479 1.770 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722685801 NFFQDYQHGXYARX-IAGOWNOFSA-N 419.555 1.491 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCNS(C)(=O)=O)C1 1722720352 BQDHQGUKQSKKSE-KRWDZBQOSA-N 423.514 1.339 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1722768652 LQFDRZJVYSFPOA-UHFFFAOYSA-N 424.505 1.701 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCOC1 1729351115 GCAIHXYXADRHQA-PMACEKPBSA-N 410.522 1.889 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1730850280 DZNJEGLWIXTRRJ-OPYAIIAOSA-N 420.558 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1740550728 RCXOEGKDSKYROC-SXLOBPIMSA-N 422.533 1.761 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1740575998 XISWXQVPNHCFNN-KRWDZBQOSA-N 411.510 1.711 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1740611651 NDKOSCNAJNQCNY-UHFFFAOYSA-N 403.433 1.465 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740620325 VSHJHHNJVYDQKP-IAGOWNOFSA-N 416.503 1.818 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1740666539 TUYLNLCMQNCDBI-UHFFFAOYSA-N 414.491 1.512 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1740677203 RKERNAVASVRWQS-UHFFFAOYSA-N 416.482 1.502 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740715809 OHPAFBTXLHHEMA-INIZCTEOSA-N 401.540 1.258 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 1740839741 ODMLSCHNPDSQQX-INIZCTEOSA-N 407.540 1.109 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@H](C)C1 1740986541 ZZFDKSHFSBJVIF-HOTGVXAUSA-N 409.556 1.597 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809591 OCFRCASMINONAX-SJLPKXTDSA-N 401.536 1.522 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2ccccc21 1748825620 AYKQWASZJIOFDQ-AEFFLSMTSA-N 411.531 1.691 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C 1748830093 OVBBRIOAYPQSFE-IBGZPJMESA-N 413.547 1.784 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(OC)c1 1748948755 UZALYFUZQSBGTO-UHFFFAOYSA-N 411.506 1.851 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CCC)OC)CC1 1749009777 LKJHKTXMHDEFLP-MOPGFXCFSA-N 417.554 1.953 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749037881 HOMNDIGCRZZPMI-HNAYVOBHSA-N 405.524 1.569 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1749666939 RROSVOURWGBQDC-ILXRZTDVSA-N 406.556 1.642 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCC1 1750256055 FCFZTLKORTZJGZ-STQMWFEESA-N 400.574 1.770 30 10 HDEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C(N)=O)C2)o1 1750382782 KQNGBKNFFRNERO-GFCCVEGCSA-N 412.400 1.972 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1750387235 RYZSEHCGHGUOPL-DXQAYGFFSA-N 411.466 1.191 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1760138296 VXXOGTXBXIJZML-IBGZPJMESA-N 416.547 1.983 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1760143319 CCXOVZFAPSLZQZ-GOSISDBHSA-N 414.554 1.916 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1760195543 DUPFFXXZYLHGAN-NRFANRHFSA-N 412.494 1.580 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760357512 KKMZDIKCXMHIHE-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(O)c2)CC1 1760523350 VKQAPKPPXFVAHD-UHFFFAOYSA-N 407.478 1.608 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)cs1 1762260830 SSSXZHBHDZKKHL-ZDUSSCGKSA-N 423.568 1.408 30 10 HDEE CC(C)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763060194 PRAKHGLZGNJFGX-OHTQGHCMSA-N 402.499 1.932 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1763721590 BFTGTTJGPIBXLD-IBGZPJMESA-N 420.539 1.353 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)cc1 1770740412 GQGQJFROMUUBGC-HXUWFJFHSA-N 421.505 1.943 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1771189606 WLNCRKGKLVKVGJ-MDZRGWNJSA-N 410.494 1.165 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCC1 1771218176 BJSWPTFLYASIJQ-NVXWUHKLSA-N 404.515 1.094 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CCO1 1771537781 VJZHSGMHRVWIAH-GJZGRUSLSA-N 407.521 1.213 30 10 HDEE Cc1c(C(=O)ON2C(=O)c3ccccc3C2=O)nnn1-c1ccc2c(c1)OCCO2 1772789975 ICYXIWWMQZSTHZ-UHFFFAOYSA-N 406.354 1.715 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)cn1 1850206349 FBVDOUYJMMDZGX-CQSZACIVSA-N 401.264 1.703 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCc2ccc(NS(C)(=O)=O)cc21 1851165897 LZIHPVLETCNNKR-UHFFFAOYSA-N 401.444 1.906 30 10 HDEE CN(CC(=O)NCCN1CCC(C#N)CC1)c1ncc2c(n1)-c1ccccc1OC2 1851501375 HLEOFFPUEBZVOQ-UHFFFAOYSA-N 406.490 1.824 30 10 HDEE N#CCCn1nc2c(c1NC(=O)c1ccc(N3CCS(=O)(=O)CC3)cc1)CCC2 1851826909 SAMCDWUAGZDOID-UHFFFAOYSA-N 413.503 1.773 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2NC1=O 1851938708 WDGXKEDFMGRZFD-HNNXBMFYSA-N 421.457 1.652 30 10 HDEE C=C[C@H](CC(=O)OC(C)(C)C)OC(=O)[C@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1852085929 VEZTYYVKTJXYCD-ZBFHGGJFSA-N 403.541 1.961 30 10 HDEE Cc1nc2ccccc2n1CC(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1852767207 VFVNUMXMMJONKS-UHFFFAOYSA-N 414.473 1.874 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1853658795 CFOISYZHDLNYJX-ROUUACIJSA-N 415.559 1.891 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCn2ccnc2CC)C1=O 1854249350 UTQQMEIKULNQEI-QZTJIDSGSA-N 415.538 1.462 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3nccnc3N3CCOCC3)C2)CC1 1855163214 KRAKDNGJXUASJQ-GOSISDBHSA-N 413.522 1.734 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(Cc3noc(C4CCOCC4)n3)CC2)CC1=O 1855469716 FSRYVLPSMBGUQY-MRXNPFEDSA-N 401.467 1.464 30 10 HDEE COc1cc(N(C2CC2)C2CCN([C@@H]3CCCN(C(=O)CC#N)C3=O)CC2)ncn1 1855791717 ZDOIRMFZEQTKHW-QGZVFWFLSA-N 412.494 1.350 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1856869189 YRCWRWHUYDIWCV-MJGOQNOKSA-N 402.539 1.099 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CSc3ccncc3)C2=O)CC1 1857072398 DSBCCMUCZWACDL-GOSISDBHSA-N 422.514 1.390 30 10 HDEE Cc1ccc(CC(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1857148674 FKFRBPGRLHPSHG-IBGZPJMESA-N 404.474 1.147 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC(N4CCCC4=O)CC3)CC2=O)cc1C#N 1857214916 SCFLSKBZQIKZIJ-KRWDZBQOSA-N 408.502 1.942 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(F)c(F)c2F)C1)[C@@H]1CCN(C)C1=O 1857263502 HLCOJXHEONXIQV-SWLSCSKDSA-N 409.408 1.811 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCC2CCN(C(=O)c3cccnc3)CC2)cs1 1890800841 PFTQHJYDHBCFQN-UHFFFAOYSA-N 413.503 1.736 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2)c1 1891147606 ZWOCVSYNVUJCCJ-KRWDZBQOSA-N 406.442 1.996 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(N)c1 2044595625 YPLFLXLWZXOCOY-UHFFFAOYSA-N 400.460 1.784 30 10 HDEE C#CCO[C@H]1CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089706128 XHITZDGJZTZTEY-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(F)cc(N)cc2F)[C@@H](C#N)C1 2162920330 ICIICHROTASBHX-NSHDSACASA-N 402.423 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(N)c2F)[C@@H](C#N)C1 2162921303 NOESMMXBGJVPJO-JTQLQIEISA-N 402.423 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H](CO)C1 2172900808 RQGLQHOWXCRWDX-HUUCEWRRSA-N 401.529 1.608 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2174778901 COYCYGLGMUWFST-BZUAXINKSA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1Cl 2187583114 JLMXAZHZIOHVCK-OLZOCXBDSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2192573632 SJGPSSMUIFQHQG-JWTXPHQPSA-N 420.557 1.478 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNS(=O)(=O)CC2(C#N)CCCC2)C1 2238466867 YUICFYPYBHKCEA-SFHVURJKSA-N 401.529 1.752 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](OCc3ccccc3)C2)n1 2247824162 RLISTQUWPRKAKY-MRXNPFEDSA-N 412.299 1.546 30 10 HDEE C=C[C@H](C1CC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258164989 ZZZXGPZXDWYPNO-IAGOWNOFSA-N 410.492 1.681 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCC3(O)CC3)cc2Cl)OC1(C)C 2267358430 YJMCDAQOURHAKA-UHFFFAOYSA-N 407.750 1.894 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C=CCN3)cc2Cl)OC1(C)C 2267364432 ZDIGPWZOZIHXLH-JTQLQIEISA-N 404.750 1.507 30 10 HDEE Cc1sc(C(=O)N(C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281931755 HAASSYJMDPAKFK-UHFFFAOYSA-N 401.359 1.781 30 10 HDEE C#CCOC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282304245 ICMMKQKDUGUUJN-UHFFFAOYSA-N 417.745 1.723 30 10 HDEE C[C@H]1C[C@@H](CN)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331874 SSHTYHJIWJADKV-STQMWFEESA-N 400.375 1.795 30 10 HDEE CO[C@H]1COCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282352572 ASHNSJGDXPJKFF-NEPJUHHUSA-N 403.331 1.130 30 10 HDEE C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491095 LZHZOGVBJQJINY-CHWSQXEVSA-N 401.359 1.971 30 10 HDEE CC(C)[C@H](O)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282496339 ZDAXQDMOFKXUTD-CYBMUJFWSA-N 404.363 1.269 30 10 HDEE C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282497991 XMNLEDZBAIDXJV-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H](C)[S@](C)=O 2282507351 GKYIUIYJVPPSQE-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE C[C@@H](O)C1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282512164 RGIFGQOJXMETBG-LLVKDONJSA-N 401.721 1.641 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512174 RJCWKDJDTWNMKV-FTJNGKRUSA-N 421.777 1.685 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282839358 CIZLVRTXGMZJLV-JPQMIFPKSA-N 422.403 1.019 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@](C)(CN)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282842361 XFOWIDJVIDROTA-KRWDZBQOSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCC[C@@H]3N)s2)OC1(C)C 2282848962 UXPVIGYLUOGQBG-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](N)CC(F)(F)F)c2)OC1(C)C 2282860679 FBIIHCNVXUUXNN-JTQLQIEISA-N 414.280 1.605 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3CCNC3)c(Cl)c2)OC1(C)C 2282875200 LXWBRGPDLOWURY-LLVKDONJSA-N 421.155 1.933 30 10 HDEE C[C@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876187 ZKTPSZRGVVDYPJ-COPLHBTASA-N 401.721 1.687 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284397092 IINWQUBKEMLSQW-LLVKDONJSA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCS[C@@H](C(=O)O)C3)c2)OC1(C)C 2284411519 LIPADQVWKBKMDR-LLVKDONJSA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3COC[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284417947 RZMQSLQLHSJJFR-PSASIEDQSA-N 401.677 1.530 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](O)C[C@H]3C(=O)O)c2Cl)OC1(C)C 2284428797 WGZGSMHGEUBSMY-SCZZXKLOSA-N 401.677 1.361 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)NCC#CBr)CC2)C1 2301453730 AQFIGBSDRFVHTN-UHFFFAOYSA-N 400.317 1.790 30 10 HDEE Cn1cnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2315653239 IKJSAGQAJSQYJN-RYUDHWBXSA-N 413.320 1.627 30 10 HDEE CCCOc1c(OC)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1OC 2323022793 LYJKDUVEOWMJMJ-UHFFFAOYSA-N 422.463 1.632 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342052846 FUCIDXYNXFLIHP-GHTZIAJQSA-N 420.531 1.319 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)[C@@H](O)[C@@H]3CF)c2Cl)OC1(C)C 2359266530 GDUYTEQJYUMHLQ-UMNHJUIQSA-N 405.684 1.216 30 10 HDEE CN[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361407655 ATCXCSGOZHIYFG-CQSZACIVSA-N 400.375 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@](C)(NS(=O)(=O)c2ccc(C#N)nc2)C1 2361663593 YGORPMYFVYLTOQ-OAHLLOKOSA-N 402.423 1.876 30 10 HDEE C#CC1CC(N)(C(=O)N(C)Cc2c(Br)c(Br)nn2C)C1 2364428041 JDMHVBOBASMSGN-UHFFFAOYSA-N 404.106 1.644 30 10 HDEE CN1[C@H](CNc2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2364909080 DIQQDHGUSZVUIC-LBPRGKRZSA-N 401.725 1.480 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2365205334 AGCYLCQPOCKCBJ-CLCXKQKWSA-N 402.557 1.457 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367791677 YRDBXPBZTVZFAN-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]([C@@H](N)C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOC1 2367798157 PSPLULZDKGFMFV-JYJNAYRXSA-N 400.541 1.462 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cc(I)ccc2F)CC1 2367850185 WNAYIURRJPTQLB-GFCCVEGCSA-N 408.236 1.515 30 10 HDEE C=CC1(N[C@](C)(C(=O)O)[C@H]2CCCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377234175 PQTMNSYUIFCVOM-GUYCJALGSA-N 402.513 1.420 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2381030826 KFQBCOGJFOUWQI-LSDHHAIUSA-N 400.541 1.556 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(=O)NO)CC(C)C 3801503 XKRONJXEXGFBRZ-ZNMIVQPWSA-N 401.504 1.143 30 10 HDEE in-vivo Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2N)o1 21321198 VAZKIOHILOWMCS-QGMBQPNBSA-N 416.423 1.978 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 44360692 ICYAPGUZYPEELM-PHODEOQFSA-N 408.461 1.096 30 10 HDEE N#Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)c1 65032027 YZRLJSZPLKNVGO-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE C#CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 111192831 VUKDWMNCZNJNMP-GFCCVEGCSA-N 400.884 1.418 30 10 HDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl)c1ccccc1O 254292176 DZFSZAYGQPYWKK-VXWGUKNZSA-N 416.869 1.540 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254705327 DOEPLKHAOBWGLS-KGLIPLIRSA-N 410.473 1.355 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CCO1 410137337 MUKXQSCYYSOFIP-PBHICJAKSA-N 424.910 1.557 30 10 HDEE COc1c(C)cnc(Cn2cnc(NS(=O)(=O)c3cnc(C)c(C#N)c3)n2)c1C 427790829 BHWKHRAOGFPORR-UHFFFAOYSA-N 413.463 1.723 30 10 HDEE COCCNC(=O)CN1CCN(c2c(Br)cc(Cl)cc2C#N)CC1 429204996 LEUCTHGRYBNUKI-UHFFFAOYSA-N 415.719 1.859 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 438908761 WCFGWBKXQJXWEY-HNNXBMFYSA-N 413.415 1.168 30 10 HDEE COc1cc(CNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)ccc1C#N 460159592 IVMTTXOFHBSBHY-UHFFFAOYSA-N 407.474 1.715 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)NCCOc3ccc(C#N)cc3)ccc21 460278578 BOEOZWXVJPRSGJ-UHFFFAOYSA-N 406.442 1.392 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@@H]1C 460928041 AGULDICBHXIGKY-KKUMJFAQSA-N 415.585 1.517 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2CN2CCOCC2)cc1 464311166 DSWUHLGQGOIKJU-GOSISDBHSA-N 405.520 1.701 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)n1cnc(C#N)n1 466351064 ZXHGHZKSPHSMEP-QMTHXVAHSA-N 408.340 1.309 30 10 HDEE COc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1OC 481528637 MSVQIBVNGFJLNZ-GFCCVEGCSA-N 419.459 1.890 30 10 HDEE COc1ccc2c(=O)c(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c[nH]c2c1 489174252 AJAUXTVUQRGLNA-LJQANCHMSA-N 416.437 1.939 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1C#N 489649805 GLSSKFWWHKDGSM-UHFFFAOYSA-N 424.479 1.419 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)C(=O)C1 508799682 BGGIYQUUNPTZKJ-UHFFFAOYSA-N 408.510 1.449 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 514475025 GEOLOCYKDTXYLB-OAHLLOKOSA-N 413.474 1.033 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 525824270 GDHMBHUKPSFHQV-QGZVFWFLSA-N 401.463 1.576 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F 586859212 WCGGBTZMTMGBAG-MRXNPFEDSA-N 424.480 1.035 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860088 SCWNVWUXDYRUSP-UHFFFAOYSA-N 422.460 1.536 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(CCCc3ccccc3)C2=O)c(F)c1 586862413 VSICZBAYCQTIQR-FQEVSTJZSA-N 422.460 1.663 30 10 HDEE C=CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 592069434 LBJQTIZSDYTYDG-INIZCTEOSA-N 410.540 1.459 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 603806280 MWGGECBMWQZBLH-UHFFFAOYSA-N 408.462 1.683 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 679492605 NWWIPOQTAGQADD-UHFFFAOYSA-N 412.508 1.423 30 10 HDEE CN1CCN(CCCNc2ncc(B3OC(C)(C)C(C)(C)O3)c(NC3CC3)n2)CC1 725384709 SRXKGKNMLAPVFY-UHFFFAOYSA-N 416.379 1.400 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cc(N2CCCC2=O)ccc1F 732425350 CSSFDKKIXOVQIJ-ISLYRVAYSA-N 401.398 1.600 30 10 HDEE COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732651156 XTMQNGNCBGKQQH-QGZVFWFLSA-N 412.519 1.875 30 10 HDEE COc1cc(OC)cc([C@@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2nccn2C)c1 732699401 AWTQQFJOKJDHTN-YLJYHZDGSA-N 424.505 1.908 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCCC(=O)OC)C1=O 735225715 NDUNJNGHPABVCF-OAHLLOKOSA-N 421.475 1.826 30 10 HDEE COCCNS(=O)(=O)c1cccc(CN[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 739997794 HKFSGRXGDYMABR-LJQANCHMSA-N 417.487 1.487 30 10 HDEE Cc1ccc(CN(C(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)C2CC2)cc1 741339235 CZOXVTVJLCKQCG-QURGRASLSA-N 411.458 1.946 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2F)c1=O 748065254 KGCRUTXAXLJIGC-UHFFFAOYSA-N 404.438 1.707 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1C#N 752305812 SDEHPQZIPVWBLZ-UHFFFAOYSA-N 416.482 1.754 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCCOc1ccccc1C#N 755186690 SSHMBUWQZSERPB-INIZCTEOSA-N 417.462 1.996 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 756751465 QIFHJTQLBZYVMD-NEPJUHHUSA-N 416.293 1.540 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)[C@H]1CCS(=O)(=O)C1 759351370 NZCDKLJFSZMDJK-PMACEKPBSA-N 419.547 1.109 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 760993673 IQDPWRMBARXXMB-AWEZNQCLSA-N 424.486 1.573 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 765055538 JVXIEIFMVIOIAJ-UHFFFAOYSA-N 408.553 1.587 30 10 HDEE C[C@@H](OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(=O)N(C)CCC#N 767747768 XGIFOVHUKBOKDJ-WZYMTQMTSA-N 421.494 1.752 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 781915320 ZBJKFKROPSYHCI-QFBILLFUSA-N 421.567 1.401 30 10 HDEE CCOc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)cc1 784129503 UTSDPHHKYXDHDQ-INIZCTEOSA-N 416.507 1.835 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 787352227 CHOUSAXEUOJKMB-MMQJMDILSA-N 419.503 1.304 30 10 HDEE C#CCN(C(=O)Nc1cc(C(C)C)nn1-c1ncccn1)[C@@H]1CCS(=O)(=O)C1 789261698 NKEGWEBWWDBSQQ-CQSZACIVSA-N 402.480 1.440 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nnc3n(C)c(=O)c4cc(C)ccc4n23)n1 789322574 MQBRQURQHIXKEI-UHFFFAOYSA-N 419.489 1.368 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCCN2S(=O)(=O)CCC)n1 790106232 YQNMOMZOPDYQLH-GOSISDBHSA-N 410.540 1.086 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@@H](COc2ccccc2)C1 790333070 IWXZNSJZLVJPKP-OZNQOIHVSA-N 400.435 1.002 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1=S 795658810 PZMXTEVKPXSRRZ-AWEZNQCLSA-N 423.568 1.370 30 10 HDEE C#C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1F 796082980 ASPUIBZETMHFSF-INIZCTEOSA-N 422.931 1.744 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccn(-c3cccc(C#N)c3)n2)cc1 798848617 CCWZUOQMLXHXRL-UHFFFAOYSA-N 409.427 1.222 30 10 HDEE CCOC(=O)CCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 917702539 UBKJEJGAECLZBL-HNNXBMFYSA-N 402.476 1.969 30 10 HDEE C#CCCN(CCOC)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1131407768 NBHKZLHMMFEGJL-UHFFFAOYSA-N 408.520 1.138 30 10 HDEE Cc1ccc(CN2CCO[C@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1 1152009195 WFAYDLSHJCNVMY-UGNPLGLKSA-N 412.490 1.229 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCOc1cccc(F)c1 1158660116 GJWUJARFHCWCMP-CQSZACIVSA-N 405.451 1.949 30 10 HDEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1167259188 NBOYNIOYBJLDNX-INIZCTEOSA-N 421.519 1.209 30 10 HDEE COc1cc(OC)cc(C2(C(=O)NCCn3cc(C#N)c(O)nc3=O)CCCC2)c1 1167527840 SQAKHNVYGYHLPV-UHFFFAOYSA-N 412.446 1.466 30 10 HDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1177474882 GODVTXPXOYGGFO-CVEARBPZSA-N 423.491 1.028 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1177869641 CSGXIXGDXPURSX-NSHDSACASA-N 405.256 1.694 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C#N)cs1 1179371361 JHTBFZPJOCHHII-CQSZACIVSA-N 417.516 1.784 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cc1 1185300701 LYHSGSMXKNAVMS-UHFFFAOYSA-N 422.503 1.939 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1190335927 COTSEVQKMAYMNX-CYBMUJFWSA-N 422.320 1.809 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1231276196 WKVTYHGXQRNRTL-IPMKNSEASA-N 417.531 1.560 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCNC3=O)cc2)n1 1246020071 BFDHTTLQTPBXAA-UHFFFAOYSA-N 410.478 1.404 30 10 HDEE CCONC(=O)CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1252653463 HCYAVJNAFGCEDP-KNVOCYPGSA-N 413.265 1.867 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1286394700 WIVKJGRYESGZQP-QGZVFWFLSA-N 417.535 1.316 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(N)=O)CC1 1286564645 YHWUADXZDKDZEH-LPHOPBHVSA-N 411.510 1.808 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286610905 DBKLGRLFICTUHF-SJLPKXTDSA-N 403.527 1.997 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1286726842 JDWDWVBDMQOCTF-WMLDXEAASA-N 404.492 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)C[C@@H]1CCOC1 1286783865 OHTHQZWHIHAXOS-HNNXBMFYSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)Cc1cnccn1 1286791984 JHFXURVUDMRVJR-UHFFFAOYSA-N 411.441 1.725 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCC[C@@H]21 1286814284 OYTJIRRSOQFENE-CVEARBPZSA-N 407.540 1.494 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1286819838 XJVQXIZDMJEVSV-FTRWYGJKSA-N 424.567 1.919 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)CC1 1286884407 OQQVWEFICKCIMN-UHFFFAOYSA-N 411.491 1.815 30 10 HDEE CC(C)Cc1nnc(N2CCS[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287505784 MYJZVRDNFYMOJA-YWMAMYRUSA-N 404.540 1.945 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCc2ccccc21 1288169590 HKTDCIHLBWMSQG-SFHVURJKSA-N 423.521 1.598 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CCO1 1289339273 NHUFWUKRCURPKZ-SFHVURJKSA-N 409.483 1.948 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccnc3ccnn23)nn(-c2ccc(F)cc2)c1N 1290815271 UDYXPHFBGGLETM-UHFFFAOYSA-N 404.409 1.871 30 10 HDEE C=C[C@](C)(O)CC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1291896034 IRYFEZWUMBNQAW-NRFANRHFSA-N 416.478 1.276 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC)cc1 1292524608 GAUXPIFQEDKLED-KRWDZBQOSA-N 403.508 1.671 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCN(CC)C1 1297187513 BXYITPPYBCQBBQ-OAHLLOKOSA-N 411.510 1.691 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1300308305 AEDUHQVXVGFLDQ-AUUYWEPGSA-N 418.457 1.791 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300338911 IXFFAQSNXZIPBW-MRXNPFEDSA-N 409.494 1.691 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(=O)NC)CC1 1300428781 NRJOIIIPVZSMHE-HKUYNNGSSA-N 403.527 1.768 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1300457796 AUJXPIGXXNDXKM-QGZVFWFLSA-N 402.520 1.888 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1300457809 BAJJOLMUGNAHCH-MRXNPFEDSA-N 415.519 1.505 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300495107 CVVYUKUHZRTSER-HNNXBMFYSA-N 416.494 1.844 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1300538903 VTWJLBCXASAMOS-KRWDZBQOSA-N 422.514 1.257 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCOCC1 1300629881 HXIYUXAPRJYBDR-UHFFFAOYSA-N 408.506 1.908 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1300988300 AQLWMSCQZUZGKS-QGZVFWFLSA-N 403.527 1.823 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1301134662 YKVMKQQHGSUKKK-OAHLLOKOSA-N 404.410 1.528 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1301481771 PJOPHQOUGVSFCO-ZWKOTPCHSA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(CC)C1 1301519990 APPMSEPIRYQCGE-KNBMTAEXSA-N 407.515 1.310 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1303411203 JBOZLCOPCXXHBT-DLBZAZTESA-N 409.494 1.660 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnnn1C 1303931692 IDNIMAGEYYYGGV-DZGCQCFKSA-N 412.429 1.463 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)C(=O)CCCC3)CC1 1310891675 BCWAHHZGZLRLLG-UHFFFAOYSA-N 404.492 1.213 30 10 HDEE C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc(OC)cc2)C1)c1ccc(F)cc1 1312658545 UNOFDSSQOHZMSN-IBGZPJMESA-N 417.462 1.881 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCCn4nccc43)CC2)cc1 1313197342 KMZKUTJVTSORRN-QGZVFWFLSA-N 414.491 1.306 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1ccnc1C 1314393340 GAQDWBKFJVAGRK-UHFFFAOYSA-N 421.509 1.613 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1350336742 GEIVDVCIYVTXRD-UHFFFAOYSA-N 409.533 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1358886232 AIBIKVSVEORRKV-CYBMUJFWSA-N 406.446 1.611 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1358939579 ZLIIYRIYHHVRPX-QQFBHYJXSA-N 411.572 1.942 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358961149 SGTKWNMPUJIHCS-JKSUJKDBSA-N 421.498 1.260 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358965998 GGMPYDNBAKEKNH-INIZCTEOSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)Cc1cccc(F)c1 1358978260 HLSIIMRYUIXBSD-LJQANCHMSA-N 423.492 1.743 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1358993957 AKYNVOWWLYVFNQ-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359216085 OSMOURFZGLLPNX-ZWKOTPCHSA-N 404.559 1.785 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1359240704 VYJDXIAUWYWSDF-MRXNPFEDSA-N 405.524 1.684 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1359473458 CLGDFSMVYMGPDR-OWCLPIDISA-N 417.539 1.235 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)ccc1F 1439853755 AKFKNVXRMSHKTK-RISCZKNCSA-N 410.389 1.987 30 10 HDEE CC(=O)N1CCN(CCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1441394845 AKDRALJFASJFOP-KRWDZBQOSA-N 409.531 1.244 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1452856752 GNOBUDLPLJYVJU-QAPCUYQASA-N 420.307 1.868 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(Br)c(Cl)c2F)c(=O)nc1O 1453841588 JABRSSNGMTVBCF-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)C1=O 1453942523 HREZVXZLULWQSS-LBPRGKRZSA-N 405.838 1.647 30 10 HDEE C#CCC1(O)CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1455189635 NHABDUABSRJDMG-MUUNZHRXSA-N 412.552 1.511 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ncnn2C)CC1 1455375286 QJZFEYVFZSIYJX-HNNXBMFYSA-N 407.515 1.875 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(CC)CC1 1457192810 QPVZIPGNYJYNFQ-IBGZPJMESA-N 401.507 1.387 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1458055752 GWTOFMWAIVMHRF-HNNXBMFYSA-N 422.425 1.946 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(COc2ccccc2C#N)c1 1463243800 RXIDBNXMJNHDDE-SFHVURJKSA-N 407.426 1.593 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccccc2OCCC(N)=O)c1 1464258512 UBFLTWDLBLTLJI-UHFFFAOYSA-N 400.456 1.990 30 10 HDEE C=CCCC[C@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)c1ccccc1 1466778670 JSFSSQDKWQRQNV-KRWDZBQOSA-N 403.508 1.778 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1 1467820674 FWVUGUSWSPFNNC-SFHVURJKSA-N 418.902 1.963 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)c1ccc(Br)cc1 1468451743 SNACZCILBZWDDY-OAHLLOKOSA-N 408.277 1.904 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1468502679 CMYWXIHLSORAAJ-INIZCTEOSA-N 405.499 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)CO2)C1 1470029701 FKCKLKVTTLVMCD-INIZCTEOSA-N 414.462 1.183 30 10 HDEE Cc1[nH]nc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1C 1471677895 RLPAKCBXCUTZOD-OAHLLOKOSA-N 403.508 1.796 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NC[C@H]2CCCN(CC#N)C2)cc1OC 1472518627 WIOMHDYNYFPWHX-XMSQKQJNSA-N 416.522 1.493 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CN(C)CCN1C 1475706290 FUQFPCOIIZENJJ-SMDDNHRTSA-N 401.330 1.233 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1507539564 WOPJKANRGQDWJQ-HZPDHXFCSA-N 410.540 1.081 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1507591944 PBFXMMDGEKBUSE-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507593414 OKSXZLBYGMTOHS-GOSISDBHSA-N 412.538 1.557 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCNC(=O)c1cc[nH]n1 1507618309 JUDMCHXZIOBSLB-UHFFFAOYSA-N 407.478 1.696 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1 1507668022 VSBRCOBTFZIITJ-LJQANCHMSA-N 419.533 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCCCS(C)(=O)=O 1507669852 TXRPLGYMRXCKSB-GOSISDBHSA-N 406.552 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1COCCO1 1507677237 WSEDVGNNQMFMBZ-HXUWFJFHSA-N 410.474 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccnc2)CC1 1507735895 AMYZZWKTDAPBES-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1507863452 GHSWDIXXLLXPEF-OAHLLOKOSA-N 412.885 1.575 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1507998439 AKUITTKAYLBCGL-OALUTQOASA-N 422.489 1.709 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1509953180 KSLSQPUNSWNGNG-IXDOHACOSA-N 422.555 1.706 30 10 HDEE CCCCN(C)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1514422698 OVZBCEDXRFPZBN-FBMGVBCBSA-N 415.498 1.277 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)CC2)c1 1530808359 HMBDHAULHZLXHG-WOJBJXKFSA-N 408.502 1.814 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1539002700 GZVMOFTWWYXLQR-FPTDNZKUSA-N 406.490 1.811 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(C(N)=O)CCCC2)c1 1539043684 SUKRZQYLJVKZRO-UHFFFAOYSA-N 408.506 1.942 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1539078777 GYKYLCWLQBQXNP-GOSISDBHSA-N 415.538 1.978 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](OC)C1 1539116071 KMFXMGCMJFPPMZ-HNNXBMFYSA-N 402.524 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cnn(C)c1 1539300656 WRGJFIQSNBMGEW-JOCHJYFZSA-N 410.522 1.759 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CC2)CC1 1539484224 HWRJWEZYLGYWQW-UHFFFAOYSA-N 414.535 1.125 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1539505456 KGCFJGPFRJHSJC-UHFFFAOYSA-N 405.549 1.720 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539512269 BKGMBGJBBNUXNO-JXFKEZNVSA-N 416.551 1.819 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCS(C)(=O)=O 1539569589 QSZMTKUKYJYEOW-HXUWFJFHSA-N 418.519 1.902 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1539980843 AAWAWYUMWWNEAG-OAHLLOKOSA-N 412.560 1.159 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C1 1540471151 QHHALOUVUFEPHZ-SFHVURJKSA-N 414.506 1.767 30 10 HDEE C#CC[C@H]1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1542600205 NVIKNTOHLAXOHV-HNNXBMFYSA-N 402.520 1.628 30 10 HDEE Cc1nnc(N2CCC(c3cnn(C)c3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543218826 VBEXRHNSYIFMDF-VHEBQXMUSA-N 410.482 1.230 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCS(C)(=O)=O 1544970516 KQHRKWPBABFROA-MRXNPFEDSA-N 407.492 1.553 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCC(=O)NCc1ccccn1 1546143535 MPFWRNDVFXRTEJ-MRXNPFEDSA-N 403.483 1.791 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1554608562 SVNQVOHLMYKCDG-KKSFZXQISA-N 413.478 1.759 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1555494431 PFLSUZFKGSXONI-GOSISDBHSA-N 409.494 1.894 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3ccc(S(N)(=O)=O)cc3F)CCOCC2)c1 1557538744 GVKDRUQCHDQDAG-UHFFFAOYSA-N 403.435 1.780 30 10 HDEE C[C@H]1CN(c2cccc(CN(C)C[C@H](O)CC3(C#N)CCOCC3)c2)S(=O)(=O)C1 1559795706 MLSJOMAPNZXNPK-FXAWDEMLSA-N 421.563 1.976 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)C1 1563009458 KNZUWCKKOFUYKP-HNNXBMFYSA-N 404.515 1.972 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 1564417091 LXZTWKCVYUHBHM-LSDHHAIUSA-N 403.545 1.780 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1587626555 MAMBYKJZNIHGNJ-WBVHZDCISA-N 415.519 1.302 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1587661358 AMCDQPPGOHKAQN-KRWDZBQOSA-N 416.570 1.748 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587852117 QSDGBLNZRYGPFF-OAHLLOKOSA-N 415.567 1.646 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)s1 1587909521 MNMOOXSGCJOGJM-NSHDSACASA-N 401.945 1.915 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1587909980 YXNPJAKDHNQIAG-OAHLLOKOSA-N 413.457 1.801 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588044901 CNNRLPYAHRBWHD-OAHLLOKOSA-N 420.510 1.872 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)C 1588090576 YLIMYXMRRYYPPW-NRFANRHFSA-N 401.511 1.306 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CCOC 1588228332 DGLRNKAFYXSSKQ-QGZVFWFLSA-N 406.552 1.706 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1588877067 UDGGBUZQFSVIBF-YRPNKDGESA-N 417.554 1.572 30 10 HDEE C=CCOc1ccccc1Cn1c(Cc2ccccn2)nnc1N1CCNC(=O)C1 1595658506 FUKXDKYFWUAJHJ-UHFFFAOYSA-N 404.474 1.813 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 1595871119 GVIOWAPLSXOJNE-UHFFFAOYSA-N 415.567 1.955 30 10 HDEE Cn1c([C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2)nc2ccccc21 1597725096 HEZLFDWJIPUFMD-LJQANCHMSA-N 414.425 1.613 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1608405210 GEVSSSJOMICYCN-OXQOHEQNSA-N 421.521 1.359 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(C)(=O)=O 1611761244 GWTFWCCJVBXGGO-KBPBESRZSA-N 423.470 1.331 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(N(C)C)CCSC2)CCOC1 1616140237 GTNCZQGFZGNMQT-PWIZWCRZSA-N 422.599 1.963 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCC1 1617655321 GPWSCUMIKOLUBY-QGZVFWFLSA-N 420.583 1.795 30 10 HDEE C[C@]1(C#N)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CCO1 1617896334 ZNZCWSCBGGTGAT-NHYWBVRUSA-N 403.913 1.696 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)C[C@H]1CS(=O)(=O)C2 1618171713 JBCYFNGMKXWBGD-ILZDJORESA-N 401.488 1.137 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1ccnc(C#N)c1 1618793660 OHWNLHTWJHZTSQ-GOSISDBHSA-N 418.544 1.978 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)c1 1619122904 AJXYTKFPFQHRAT-CYBMUJFWSA-N 422.511 1.107 30 10 HDEE COc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)cc1Cl 1620610741 BRZGDAIWOZZVNN-GTNSWQLSSA-N 413.883 1.166 30 10 HDEE C=CCOc1c(Cl)cc(CNCCc2nnc3c(=O)n(C)ccn23)cc1OC 1621072434 YRHATGSRCBISTC-UHFFFAOYSA-N 403.870 1.987 30 10 HDEE C=CCOC[C@@H](NCc1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 1621285494 BANBHVFNSQZNML-GOSISDBHSA-N 412.446 1.050 30 10 HDEE CC(=O)C[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625026137 MZTYSGBXTCYVEC-CXIVCQEWSA-N 405.495 1.980 30 10 HDEE C[C@@H](CCc1ccc(Br)cc1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1626438879 BZAOSXCNROIBDD-NSHDSACASA-N 405.252 1.721 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H]3NC(=O)CC[C@@H]3C2)C1 1628787849 JTYOHVWXDXQBPP-MLGOLLRUSA-N 417.307 1.884 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc3ccccc3c2)CC1 1629466427 RLGOMZWTBBXNIQ-UHFFFAOYSA-N 416.503 1.013 30 10 HDEE C#CCN(C(=O)CCC12CC(CN1C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1630830523 PHYUQOCZLBYOSU-LFDOHDQPSA-N 410.536 1.815 30 10 HDEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 1631156591 BYYXFLVWXMUAEE-YIONKMFJSA-N 417.466 1.209 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CNC(N)=O)cc2)s1 1631229259 GDIFZGVWRUHOFY-UHFFFAOYSA-N 408.505 1.562 30 10 HDEE C=CCN1CCC(NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1632868466 MGGALVKIKPSBRC-UHFFFAOYSA-N 406.531 1.963 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)C1 1634554900 LPDVKWOYKAFFKY-MRXNPFEDSA-N 408.524 1.096 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1 1635757967 SCNPHMJJPUBSNR-HXUWFJFHSA-N 409.552 1.408 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C#Cc2cccs2)CC12CN(C(=O)OC(C)(C)C)C2 1635918817 AIHKXJMSWLDXNB-HNNXBMFYSA-N 404.488 1.968 30 10 HDEE C#CCN(C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638331527 XJTCPVSXSLBCRJ-LSDHHAIUSA-N 400.541 1.917 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)c2ccccc2Cl)CC1 1640588173 GCBYYJQBDUDSIV-UHFFFAOYSA-N 413.883 1.314 30 10 HDEE CO[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1 1641056500 FYIONIZXDKUHGO-WBVHZDCISA-N 415.515 1.878 30 10 HDEE C[C@]1(C#N)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1642034991 OOYPTOQQBJQPQH-CQSZACIVSA-N 408.203 1.643 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CCC(=O)OC(C)(C)C)C2)C1=O 1642969643 YMNSFJIZTMOVMP-CQSZACIVSA-N 407.467 1.324 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 1642980940 SROJTXJAGNRZQJ-MRXNPFEDSA-N 418.519 1.839 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1643725448 BEJZUMYDRDOXEO-KBXCAEBGSA-N 401.488 1.954 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)Cn1cc(C#N)c(I)n1 1644029464 LDSLGBYROZUOQY-JTQLQIEISA-N 404.208 1.063 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3cnc4nc(O)nc(O)c4c3)CC2)c1 1644167164 DWASCKWADAPXKY-UHFFFAOYSA-N 404.430 1.702 30 10 HDEE C=CCC1(O)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1645230103 TZFSLNAOJFMNPG-QGZVFWFLSA-N 422.279 1.366 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@](O)(C2(C(=O)OC)CCC2)C1)C(=O)OC(C)(C)C 1647891478 LULGGJXIXXCCBF-NRFANRHFSA-N 408.495 1.554 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(F)cn3)CC2)cc1 1647914547 OEKWZQQMWAYGOY-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)c1 1648533454 UJSSJPRYEIMBQL-GOEBONIOSA-N 421.519 1.726 30 10 HDEE O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040308 BTHRIRJHTRUZGC-PBHICJAKSA-N 418.446 1.591 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1652166672 JQPFHTVCLSJQHT-KBUPBQIOSA-N 414.424 1.902 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(OCC)cc3)c2)C1 1653281552 QVVINBGUJUKFGB-UHFFFAOYSA-N 400.456 1.706 30 10 HDEE CCOC(=O)[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC12COC2 1655522166 RGXUWTPUTPOJCJ-QGZVFWFLSA-N 424.419 1.685 30 10 HDEE Cc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Br 1655770539 IUNZJTXPBFVYOD-BLLLJJGKSA-N 412.309 1.566 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1656884294 XGGCDKTZKCAYIU-INIZCTEOSA-N 403.504 1.080 30 10 HDEE C=CCCn1cc(CNc2cccc(S(=O)(=O)N3CCC(CO)CC3)c2)nn1 1657341507 QWICEFQINZMWIM-UHFFFAOYSA-N 405.524 1.859 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCCO1 1663479161 XBPDYHHIPUQGSK-CEXWTWQISA-N 406.504 1.745 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1668498155 ACFVVWSRRRNJAY-KURKYZTESA-N 423.535 1.923 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1C 1671495383 QUQSZTFNVMVNOL-CZUORRHYSA-N 419.482 1.678 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)CC1 1671634193 AJJBFFQIAQITLQ-UHFFFAOYSA-N 401.435 1.572 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673468669 HOZVXEMVPDQRHY-AWEZNQCLSA-N 423.311 1.623 30 10 HDEE COCc1c(Br)cccc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1674087794 IEGKMBNOBRGKOL-UHFFFAOYSA-N 422.239 1.551 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)CC1 1674582533 ZEDYBHAYXAVGLX-FQEVSTJZSA-N 411.506 1.924 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1676430025 VYJPJKWLMIFIOR-LSDHHAIUSA-N 403.483 1.347 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1681302092 VNEJUEJKMBKPAQ-IBGZPJMESA-N 420.473 1.758 30 10 HDEE N#CC1(CNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)CCOCC1 1684723499 ZWNFZLDIHKYEEK-GFCCVEGCSA-N 408.256 1.327 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1685688581 PQUFANUWFVKFCG-IUODEOHRSA-N 414.325 1.704 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(Cc2ccccc2)CC1 1689946539 RXLLNXOESREBRA-MRXNPFEDSA-N 401.536 1.981 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccncc2)CC1 1690146431 NKFKRYBZXOSODO-LJQANCHMSA-N 408.506 1.386 30 10 HDEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(S(C)(=O)=O)CC1 1690475574 WWRIFVUFZXYRPJ-UHFFFAOYSA-N 420.495 1.901 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1)C1CC1 1690536715 DEHDNIFZGFQLIC-JKSUJKDBSA-N 410.588 1.775 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690671554 YPZHXVLFFKETHA-LSDHHAIUSA-N 417.470 1.091 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CC(N)=O)C1 1690749407 CAQUQXFOCKQRSP-OAHLLOKOSA-N 406.556 1.412 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1691001178 DRMXSKQJHDMOKX-CABCVRRESA-N 411.514 1.386 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1691328900 PZCWGGPFKATMDB-KRQILSMLSA-N 420.583 1.853 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CC(F)(F)Br)CCO1 1698493296 KZKQVXVZTVLFMB-VIFPVBQESA-N 400.187 1.452 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1705505885 PGKMVVNDZBZOSO-GJZGRUSLSA-N 404.515 1.896 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1705529679 CSEOSFKQWWDNIU-UHFFFAOYSA-N 419.555 1.390 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(C)(=O)=O)CC1 1705808261 GCWNTMJCQNUFKT-UHFFFAOYSA-N 409.556 1.770 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCCc2cnn(C)n2)C1 1705927462 YYGHCQUVKFKBOS-LJQANCHMSA-N 408.510 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1705937860 GUFKHHHMFPCMJX-SFHVURJKSA-N 421.502 1.183 30 10 HDEE CCc1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709055021 UQKFJVBTLDSBCC-IWHJNQCMSA-N 400.483 1.372 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1710612726 CRGSQXOZFFYYAT-IBGZPJMESA-N 424.505 1.681 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCCC1 1710971361 BWTLYDBURWBLLL-MRXNPFEDSA-N 413.526 1.618 30 10 HDEE C=C[C@@](C)(O)CC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1718885963 MQZNKGBELCIEQX-QTFONMOESA-N 402.466 1.809 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccn(C)n1 1722293811 NVSOATGHAXIPSY-HNNXBMFYSA-N 416.489 1.626 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722333159 HPJGJNSYPZRFRP-QGZVFWFLSA-N 411.510 1.711 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1722418912 HVIFKJCJTKSTJT-DYESRHJHSA-N 419.526 1.231 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN(C)CC(F)(F)F)CC1 1722434945 BOFMFAOYRARXRA-UHFFFAOYSA-N 407.444 1.589 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc3c(c2)OCCCO3)CC1 1722444797 ODQFXAZDDIJHTA-UHFFFAOYSA-N 409.490 1.762 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1722685448 GZZZKXZUVISXBR-QWHCGFSZSA-N 405.471 1.279 30 10 HDEE C=CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1722742823 IMRUTQJJIPESGI-UHFFFAOYSA-N 401.536 1.927 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1722868891 FEWDBRGTOFFPBI-JXXFODFXSA-N 402.499 1.334 30 10 HDEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1724097935 APTWGIQKVGJOHF-YPMHNXCESA-N 411.557 1.492 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1727252100 DTHQRNBJOUHMCZ-FGTMMUONSA-N 413.478 1.602 30 10 HDEE CCc1nc(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)cs1 1727456207 CNCMIAOHMBIGIO-HOCLYGCPSA-N 420.539 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1740535039 MZSQPPASIRLVMG-HOTGVXAUSA-N 407.515 1.938 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1740565633 ZDGUWRHXPZYIMT-GOSISDBHSA-N 403.527 1.948 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)(C)C)n1 1740601140 SCUZSLRQVDFUEP-CYBMUJFWSA-N 424.596 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(C)s1 1740678750 QXTDDOZTBYJVAF-UHFFFAOYSA-N 412.479 1.220 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(CS(C)(=O)=O)cc2)CC1 1740689958 LDQJQUMMQQFJRP-UHFFFAOYSA-N 415.563 1.750 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)C(=O)NC 1740763216 ZPPJRUKAWNDEHR-MHORFTMASA-N 405.543 1.972 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740819824 GDNWIWJYPWOJKM-FQEVSTJZSA-N 413.503 1.523 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1740875106 RSTHOYBIENJNRA-HNNXBMFYSA-N 421.505 1.825 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1740941941 XEWXORLLHNFCEU-CQSZACIVSA-N 402.586 1.961 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1740958759 HDBXDMWLOUXWOB-AWEZNQCLSA-N 407.478 1.430 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCO[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964634 FXTFXDPTMZHTPM-JXFKEZNVSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCOC2)C1 1740989461 NPDDBHNTVBTDEM-LJQANCHMSA-N 405.524 1.501 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCC2 1741796189 GBKATKMPGQMMOL-ZDUSSCGKSA-N 406.454 1.250 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1741801641 BZFNRESJRZFMRX-ZRGWGRIASA-N 409.556 1.860 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1 1744513814 QBKUXSLGIGJLFV-DNVCBOLYSA-N 403.462 1.924 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1746353383 DUQUBCSULDYPEO-OAQYLSRUSA-N 404.478 1.783 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1748046733 CUPSOCROBUKXHU-VQTJNVASSA-N 416.432 1.916 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1748779389 IMTYZEOPQIMIJM-UHFFFAOYSA-N 405.466 1.049 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCc2nccn2C1 1748868847 KMRDFCXLDMPFOI-AUSIDOKSSA-N 422.533 1.852 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC(=O)NCCc1ccccc1 1748889841 HJEXRFJPHDSMAO-HXUWFJFHSA-N 405.502 1.604 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1748929955 TYKNERNCSOMODM-AWEZNQCLSA-N 408.553 1.432 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749459643 PULVNBHGVBJEPY-OAQYLSRUSA-N 412.494 1.888 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC1 1749598193 TVQRZOKXQOGTPQ-UHFFFAOYSA-N 410.478 1.356 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1749626082 NCOMTPHUKWDSHZ-HZPDHXFCSA-N 413.457 1.955 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1749650507 ZPRUBVYACBRDDI-RHSMWYFYSA-N 418.542 1.502 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749669891 OWTBCWSTGAHSAU-WMZOPIPTSA-N 415.469 1.801 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(C)C)C1 1749676525 UFJNRGUEZXZVBO-SFHVURJKSA-N 423.521 1.680 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCC[C@@H]21 1749677521 BQGZLQJYGDLOTH-CABCVRRESA-N 414.535 1.951 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCC)c1 1760119915 FVPCKXVHZFDKHG-MRXNPFEDSA-N 408.506 1.656 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760129313 JANGRYVKEBDBKA-SFHVURJKSA-N 402.543 1.475 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1760163555 WKHDPMIMVRDJTJ-HNNXBMFYSA-N 405.524 1.517 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1760176766 SSZIEUMVNQUMTL-MRXNPFEDSA-N 418.542 1.973 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760193093 SUWCVXPDQWSOQC-GVDBMIGSSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCOC[C@@H]1OC 1760196836 MGZIPFZTGIISRU-MJGOQNOKSA-N 409.446 1.978 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2N(C)CCCC2(C)C)CC1 1760251412 AARACJQHSYHXAP-GOSISDBHSA-N 415.586 1.292 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1760256895 LHGGKLPXAUJAKQ-FQEVSTJZSA-N 407.566 1.552 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1760439219 ZERWIMJEGGLQRM-MRXNPFEDSA-N 401.515 1.580 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1760689960 IBSPKRDDKOKZMY-CQSZACIVSA-N 418.523 1.316 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCS(=O)(=O)C2)n1 1762413976 GSEBDUJBMVLRCT-RHSMWYFYSA-N 419.555 1.560 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1765922996 LXAYTRQRRZTONP-KSSFIOAISA-N 415.441 1.331 30 10 HDEE CN(CCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1768862774 UHVIKKMMCYNUDE-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1CCCN1CCOCC1 1770754098 AYBOHDUKOXYOLM-UHFFFAOYSA-N 415.542 1.366 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1771350628 WSFIWERBWBDIEU-KRWDZBQOSA-N 412.475 1.400 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1772887812 GEDFHFZRRWWSBN-JOCHJYFZSA-N 423.521 1.206 30 10 HDEE COCCn1nc([C@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1848935047 QZFNVPIACQZVMT-KRWDZBQOSA-N 424.505 1.716 30 10 HDEE N#Cc1cn(CC(=O)OC[C@H]2Cc3cc(F)cc(Br)c3O2)c(=O)nc1O 1849069134 JVGNMPYQMDVREP-LLVKDONJSA-N 424.182 1.269 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1850264421 DRPFYHZETWZMHS-IBGZPJMESA-N 407.511 1.584 30 10 HDEE CO[C@@H](C)[C@@H](OC)C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851809137 SWNLMMYQOQPXOU-WCQYABFASA-N 402.904 1.383 30 10 HDEE CC(C)CO[C@@H](CC(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)C[N+](C)(C)C 1851938394 LILBYWPSTJXWRZ-ZDUSSCGKSA-N 416.486 1.994 30 10 HDEE COCC(=O)N1CC(OC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)C1 1852637854 YFXPMCIILNKZQW-UHFFFAOYSA-N 408.336 1.777 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCN(c4cc(C5CC5)ncn4)CC3)cnc2c1C#N 1852911909 DQSXEPAWJMHEJV-UHFFFAOYSA-N 402.462 1.848 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1853789118 ADXQWTMWMHONBG-QFBILLFUSA-N 412.465 1.932 30 10 HDEE Cc1cc(CC(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)on1 1854168210 LMMLEWAGXONHBH-LJQANCHMSA-N 407.474 1.343 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)C(=O)C1 1854556299 BXSBODACIRLWEA-UHFFFAOYSA-N 413.455 1.257 30 10 HDEE CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)CC#N)CC2=O)c2cc(F)ccc2n1 1854618395 WPGPCNMJUVNKOB-UHFFFAOYSA-N 418.450 1.635 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854649543 DZTBYGVJECZJFF-GXTWGEPZSA-N 411.430 1.742 30 10 HDEE CON(C)[C@H](C)C(=O)N(CCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1C#N 1854851207 RYLYGANUFKGPEF-OAHLLOKOSA-N 405.455 1.403 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855029791 ZOKAERCXHRWVBS-LLVKDONJSA-N 420.397 1.293 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1855870461 RLEPWMDKHUUNID-QGZVFWFLSA-N 403.504 1.461 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](C)[C@H]1CCOC1 1856091289 ZTJURJKPXRGDSA-GJZGRUSLSA-N 406.504 1.972 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1856521166 LUONCSXHCLKVIC-AEFFLSMTSA-N 400.483 1.071 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](N2CCC(CC#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1856539002 VGBOBJFTLDSXSC-HNAYVOBHSA-N 411.506 1.825 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CCC[C@H]3Cn3ccnn3)CC2=O)cc1 1856679610 JTVOWILRWCQDMQ-UXHICEINSA-N 406.490 1.622 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn(C(C)C)c2)C1)[C@H]1CCN(C)C1=O 1857053763 VJTKRLHSGCQMPZ-WMZOPIPTSA-N 401.511 1.562 30 10 HDEE CC(C)CC(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127070 DXGJAXIIRDBAEE-SFHVURJKSA-N 402.539 1.882 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@@H]1CCN(C)C1=O 1857225313 BJPSHWOPEUTDMU-GDBMZVCRSA-N 415.519 1.032 30 10 HDEE CCOc1ccc(/C=C/C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC 1860729548 KAXJVEFMBVSXDO-ONNFQVAWSA-N 404.444 1.962 30 10 HDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869929177 BIFDPGSNSYJKAX-KRWDZBQOSA-N 401.488 1.525 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1CCOC 1870543667 UESHAIDPOGYHAW-LJQANCHMSA-N 419.522 1.343 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588015 NAFGOFPNYKLKQG-UHFFFAOYSA-N 407.478 1.882 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(C)cc2)cc2c(N(CCO)CCO)ncnc21 1873595802 SPBQWOKTTMMCFI-UHFFFAOYSA-N 409.490 1.647 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1985106300 YCHBNGKSHLOIOO-MIFYACCESA-N 410.320 1.766 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2082045388 ZZWZGJOGRIVILP-OALUTQOASA-N 412.483 1.505 30 10 HDEE N#Cc1cncc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 2118163647 RWPMSHFAFVLGHQ-KRWDZBQOSA-N 416.459 1.269 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N=c2cnc(I)c[nH]2)c1 2145540439 DAGMEVVDMMAVPF-UHFFFAOYSA-N 400.201 1.317 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CC[C@@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174786563 KYTNTUJEFVTGIH-HZPDHXFCSA-N 400.545 1.682 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1N 2205584276 IIFWVHZXGONHQD-ZIAGYGMSSA-N 412.537 1.770 30 10 HDEE C[C@H](NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)[C@@H](C)NC(=O)OC(C)(C)C 2247838216 FCOLRMOLXPLMKN-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC(C#N)CC1)NC(=O)OCc1ccccc1 2258157876 GUZVGDQZDBBZAW-MRXNPFEDSA-N 409.464 1.020 30 10 HDEE COc1nnc(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)s1 2267471498 UBLHSDQAKBNRLV-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](CO)C[C@@H]3CO)sc2Cl)OC1(C)C 2281961790 QRLIHRGECXUGPK-WDEREUQCSA-N 401.721 1.516 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCNC1 2282325167 AKJGBMGMDRSVQJ-CYBMUJFWSA-N 400.375 1.634 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@]1(=O)CC[C@@H](N)C1 2282326521 UILPUNWMNMVNDJ-SSINHNECSA-N 420.387 1.243 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2282399963 UICZCCOHWNFNNL-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N=[S@](C)(=O)C(C)(C)C)n1 2282496007 UWNBMTWSNIZKEP-RUZDIDTESA-N 405.351 1.304 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)N(C)C 2282497952 XCFDXIBJPODHDC-GFCCVEGCSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC2(N)CCC2)OC1(C)C 2282498518 FQXUIGAMOFSKPZ-UHFFFAOYSA-N 400.375 1.738 30 10 HDEE C[C@@H]1OC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282498920 LCJMVQPGCIAZQY-WOPDTQHZSA-N 402.347 1.285 30 10 HDEE COC(=O)C[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498993 LZVOQCNXJXCHNO-LLVKDONJSA-N 403.331 1.418 30 10 HDEE CC1(N)CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282506225 PCLCRFPCGAZJFM-UHFFFAOYSA-N 400.375 1.690 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282513112 XSXOIDHJOBUOLY-RUZDIDTESA-N 401.359 1.126 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN[C@H](C)C1 2282843486 OGYJRESVAIPOLI-YPMHNXCESA-N 400.375 1.775 30 10 HDEE CC(C)[C@@H](C)[C@H](N)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856664 WJHYJYISAOBMKK-TZMCWYRMSA-N 402.391 1.945 30 10 HDEE CNC[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282863559 TVIXJCYWWABGMV-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCC[C@@H]2O)OC1(C)C 2282866645 MVWAUXKKLWXPGL-JSGCOSHPSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)OC1(C)C 2282876710 HTILBWWKJNTMOK-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSC[C@H]2C(=O)O)OC1(C)C 2284393145 HHAFIWPRVSFLSV-NSHDSACASA-N 419.355 1.238 30 10 HDEE COC[C@]1(C)C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284685529 SBUAHVNPEUPGNZ-SJCJKPOMSA-N 401.359 1.998 30 10 HDEE N#Cc1cc2c([nH]c1=NC[C@H]1CN(C(=O)OCc3ccccc3)CCO1)CCOC2 2294816583 URCFHWVHICJIBY-IBGZPJMESA-N 408.458 1.897 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(N(C)Cc3ccccc3)C2)n1C 2315697091 NDHZDPLQEBWEGU-UHFFFAOYSA-N 424.354 1.984 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1cccnc1 2330794372 HCJRRTWTXPQILG-UHFFFAOYSA-N 423.502 1.600 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1 2346400871 SMFXXSWDGNWMJB-FUHIMQAGSA-N 422.503 1.574 30 10 HDEE CN[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361407654 ATCXCSGOZHIYFG-AWEZNQCLSA-N 400.375 1.666 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364912549 GESPQZYYMSTOTQ-NSHDSACASA-N 403.741 1.726 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365211718 OZMQUJKHPRTIOY-ARFHVFGLSA-N 402.557 1.802 30 10 HDEE CN(C(=O)OC(C)(C)C)C1([C@@H](C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)CC1 2367789661 DNOZFBGMUFKFBN-CYBMUJFWSA-N 401.481 1.436 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(N(C)C(=O)OC(C)(C)C)COC1 2367795344 LVYGDJWNYQCBKS-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(NC(=O)OC(C)(C)C)CCOCC1 2367805033 YDSONYHQHOQGLH-OAHLLOKOSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367807941 YDTHZDKPMIABRP-KXBFYZLASA-N 400.541 1.437 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2367824880 NPBPRZKSBQOGTD-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CCCNC(=O)OC(C)(C)C 2367832118 XJSKDIVNPFQGBX-MAUKXSAKSA-N 402.557 1.601 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)Cc1ccccc1C#N 2382020425 NJOQZSKJDNBMJZ-UHFFFAOYSA-N 402.217 1.838 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc(OC)cc2)c1 16557490 ORIWFFBXAFOQPD-UHFFFAOYSA-N 416.455 1.080 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)c1 169903714 JYZLJWJTBRKNRW-RQZCQDPDSA-N 411.392 1.639 30 10 HDEE N/C(=N/O)[C@@H]1CN(C(=O)c2ccc(Br)cc2Br)CCO1 236330013 BARPHDFYCHHGMJ-JTQLQIEISA-N 407.062 1.799 30 10 HDEE C=CCN1C(=O)/C(=C\C(=O)OC)SC1=Nc1ncn(CC(C)=O)c1C(=O)OCC 254705220 SPNGEFKMFTYERJ-UCNYSHKRSA-N 420.447 1.455 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCN1CCO 427400106 SDSBPVPMKAGJFF-INIZCTEOSA-N 408.458 1.814 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 435598931 QXCDIYWKAVWYGJ-CRAIPNDOSA-N 414.549 1.731 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](C)[C@H]3Cc4ccccc4O3)CC2)o1 441049916 WRQPVWMVAWRVSC-FOIQADDNSA-N 409.490 1.827 30 10 HDEE COc1cc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)ccc1C#N 464705311 HDMIBFQIZMKJRM-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCc1cnn(-c2ccccc2)c1 464863899 BQRMAIGUWXGMGA-QGZVFWFLSA-N 416.489 1.361 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1 466399025 LMCFPQIUWDFFSK-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 470458400 LEJDVDFHWYSYJK-ZDUSSCGKSA-N 410.455 1.716 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 477033124 DYBIOSZGWXFIPZ-UHFFFAOYSA-N 420.878 1.519 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c(F)c1 480717543 UBIGWRLUBFPSRC-GHTZIAJQSA-N 417.506 2.000 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3ccc(C#N)nc3)CC2)cc1 482334609 LGCYMFOFUOODMM-UHFFFAOYSA-N 400.460 1.499 30 10 HDEE Cn1cc(-c2ncc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)s2)cn1 486001322 HKIKWEITPJNNQF-MRXNPFEDSA-N 406.471 1.946 30 10 HDEE Cc1nc([C@](C)(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C2CC2)no1 497557156 UCFBLZLYUUAXFC-BBATYDOGSA-N 403.464 1.358 30 10 HDEE C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503616899 WSBZMOYBVHEKRH-INIZCTEOSA-N 418.519 1.448 30 10 HDEE COc1cc(CN2CCN(c3ncccc3C#N)CC2)cc(Cl)c1OCC(N)=O 506248664 PRWUTLROZXMXMU-UHFFFAOYSA-N 415.881 1.802 30 10 HDEE COCCN(Cc1ccc(OC)c(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 532744841 UEZGQBFZDNPMLK-UHFFFAOYSA-N 401.467 1.720 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NC(N)=O)C2)n(Cc2ccc(F)cc2)c1C 536484925 JRDBDLYZWGUKJO-QGZVFWFLSA-N 412.469 1.845 30 10 HDEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)N3CCN(c4cccc(C#N)n4)CC3)c(C)c12 544925223 ZQVFCWIPSYFLDG-UHFFFAOYSA-N 419.489 1.427 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)n1 545462273 AHQDVNNGTQBBCS-HNNXBMFYSA-N 424.417 1.408 30 10 HDEE CN1CCN(C(=O)c2ccc(CNS(=O)(=O)CC3(C#N)CCCC3)cc2)CC1 546798168 ZVCKSTSZYXHSMK-UHFFFAOYSA-N 404.536 1.578 30 10 HDEE C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 546926321 VWNQBKPWXCDTJF-STXHMFSFSA-N 407.536 1.919 30 10 HDEE COCCCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CC2)c1=O 559153822 LSESXLMPMOBXND-UHFFFAOYSA-N 412.515 1.350 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N(C)Cc2cnn(C)c2C)c1C 560051005 RWIIUVXRXZTLFX-UHFFFAOYSA-N 405.462 2.000 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3nnc(CO)c3C2)n(-c2ccccc2)c1C 572226652 BFWYMAHMHBKJAI-UHFFFAOYSA-N 405.462 1.504 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C#N)C1CC1 582383267 UDFKVXCKBBGUOW-KRWDZBQOSA-N 406.508 1.053 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1cccc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 589796536 WMIFSOFTGFPLDT-IBGZPJMESA-N 401.444 1.565 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 609844565 LDPMZSYQGYMOQD-UHFFFAOYSA-N 413.381 1.648 30 10 HDEE C=CCOCCNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 611546501 JLPSVNOPTDPBLJ-UHFFFAOYSA-N 412.468 1.033 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2cccs2)CC1 619105773 LWISILFZLNLDIB-UHFFFAOYSA-N 405.505 1.032 30 10 HDEE COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 619209526 IKYXUHRFZVNJGL-UHFFFAOYSA-N 415.475 1.431 30 10 HDEE C=CCn1c(COC)nnc1N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 669804024 KZWHGXYDLWWOHF-UHFFFAOYSA-N 405.886 1.992 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669817759 CRRRRNGOWWUKGS-CVEARBPZSA-N 407.544 1.729 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc2c(ccn2CCN2CCOCC2)c1 679531312 VVGRAOFSRCPJBU-UHFFFAOYSA-N 400.479 1.231 30 10 HDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665353 YXNBXPBSZTULGH-OALUTQOASA-N 401.486 1.848 30 10 HDEE COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)N(C)C)cc1OC 732701143 PUZIBUZMNDSXSE-MSOLQXFVSA-N 401.511 1.688 30 10 HDEE C=C(COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C(=O)OCC 734028268 IFEXWFFDROQRJH-SDMNGIDPSA-N 400.431 1.452 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)c1c(C)oc(-n2cccc2)c1C#N 735774020 SXQBETQQFVCLCI-CQSZACIVSA-N 420.447 1.253 30 10 HDEE C[C@H](c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)N1CCOCC1 737199926 XRSDYOFEUOJTOD-UZLBHIALSA-N 411.506 1.217 30 10 HDEE C[C@H](OC(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745744386 GRVRKVJFTJHLGY-HFBDOXOYSA-N 405.476 1.254 30 10 HDEE COc1ccc(COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1C#N 747081309 APDRNGMVDXHPKC-MRXNPFEDSA-N 424.862 1.603 30 10 HDEE Cc1cc(C#N)ccc1COC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C 749861767 JMKIZSBGYXURGI-UHFFFAOYSA-N 402.418 1.788 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751922445 DLPUEOKBOXRWFS-OAHLLOKOSA-N 408.474 1.932 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 756883290 RYNDMBZCYAJGKK-DZGCQCFKSA-N 408.480 1.084 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 760301760 YASNXCZFRLIKBB-CABCVRRESA-N 421.498 1.697 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(-n3cnnn3)cc2Cl)CCCCC1 760405408 GCADFQKYLSWZSX-UHFFFAOYSA-N 408.871 1.849 30 10 HDEE COC(=O)c1nc(Cl)ccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 760620835 OYBMEAJHYVEAKH-UHFFFAOYSA-N 421.866 1.299 30 10 HDEE COc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1-n1cnnn1 781994196 ROSHCXZJZYWUMM-UHFFFAOYSA-N 403.446 1.941 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CCN1C1CC1 782551961 BQPAJDWRDAXXPE-AWEZNQCLSA-N 402.398 1.760 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)n1 789103730 BRZVZDBVIZILHD-VQTJNVASSA-N 403.527 1.318 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nc3c(c(C)nn3C)c2C)n1 790106134 SDSWBCCQBMSRQG-UHFFFAOYSA-N 408.506 1.941 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 796096378 MIGBJVPTEZEDTC-KRWDZBQOSA-N 406.529 1.850 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 797814781 JDJBDHITVREFSN-YVPCQOEXSA-N 417.579 1.791 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S[C@H](C)C(N)=O)n1 800966232 CCGUSFDPTKYZMZ-OAHLLOKOSA-N 400.504 1.771 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 802450740 CEEQQTCQXJLVFC-INIZCTEOSA-N 419.507 1.246 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 804456721 GXXRTHQGGOMFMN-HXUWFJFHSA-N 405.502 1.656 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(n2ncc(C(=O)OCC)c2C)CC1 805275571 LUAWWEMWMCDHRV-UHFFFAOYSA-N 412.512 1.316 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 807270733 XKSIMGBGDCJXKR-HOCLYGCPSA-N 412.533 1.373 30 10 HDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 813561488 JHVMAVAHLMTZDM-HOCLYGCPSA-N 419.551 1.129 30 10 HDEE C=CCN(C(=O)[C@@H]1CCN(C(C)C)C[C@@H]1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 849504263 BUHLTTLYIAHEPG-IPMKNSEASA-N 408.568 1.436 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCN(C)C[C@@H]3c3cnn(C)c3)CC2)c1C#N 849597299 RZJUSGUKLKIFTR-FUHWJXTLSA-N 413.551 1.441 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 916374671 FYSXCMBVPKZSLT-UHFFFAOYSA-N 417.466 1.305 30 10 HDEE CC(=NNc1nnc(SCC(=O)Nc2nccs2)n1N)c1ccccc1O 1084377123 KDIUNUSGYLKYMX-UHFFFAOYSA-N 404.481 1.721 30 10 HDEE COc1cc(C=NNc2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)cc(OC)c1OC 1084385116 LVFWNXOGYQDLSD-SNVBAGLBSA-N 408.484 1.845 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1124446325 QDZXRJSTXXTVNU-MRXNPFEDSA-N 413.471 1.256 30 10 HDEE C#CCN(CC#N)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1128291235 JYTUFEAZTWPCPN-FQEVSTJZSA-N 407.467 1.320 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(CN4CCCCC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1134056170 MCLKJBISBWTXJL-PXNSSMCTSA-N 401.488 1.209 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(N2CCOCC2)CCSC1 1136392992 ALBBLKFCBVJUSY-OXQOHEQNSA-N 411.568 1.617 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1137592020 UYOMQOFSPBCHKV-SWLSCSKDSA-N 408.478 1.850 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)S(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1146271748 UZMZRHJFPJNWKK-GDBMZVCRSA-N 407.341 1.990 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(CC#N)CC2)C1 1147283702 PJIGUAZFQMCUAK-WIYYLYMNSA-N 400.479 1.470 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)CC1 1152068348 LTVAULVRNGOZKW-UHFFFAOYSA-N 403.442 1.549 30 10 HDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1157845570 YFNNPOLRDXMLIE-UHFFFAOYSA-N 401.529 1.294 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C2)c(=O)nc1O 1159490733 UMBUMHPUQOLHOC-UHFFFAOYSA-N 414.849 1.606 30 10 HDEE N#CC1(CNC(=O)c2cc(I)ccc2-n2cnnn2)CCC1 1162141824 UYGCYQCQWPQNGQ-UHFFFAOYSA-N 408.203 1.691 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1192317770 CENIRFWVMGOGHG-LLVKDONJSA-N 404.282 1.597 30 10 HDEE C=CCOc1c(Cl)cc(CN(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC 1204892105 VIENDBMDQZBBNU-AWEZNQCLSA-N 416.927 1.649 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2C(F)(F)F)CC1 1207657255 GHNQNPRVIVEFGM-UHFFFAOYSA-N 404.414 1.631 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1)C(=O)OC 1211664188 GIIVGZXRXXMTEF-CYBMUJFWSA-N 406.844 1.541 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCN1S(C)(=O)=O 1234607369 DKATYUUOKNHXBT-ODIFPOPNSA-N 421.523 1.319 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1256585402 QJSVKAJMBLARBB-QGZVFWFLSA-N 423.558 1.147 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1264609615 XKLMKNVVIJGASQ-FFGGFLGDSA-N 412.533 1.787 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc3ccccc3nc2C(=O)OCC)C1=O 1276877994 OLAYDFOLIUPMFZ-UHFFFAOYSA-N 410.386 1.327 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1286448595 YUSDIHIELLLDKQ-MRXNPFEDSA-N 412.519 1.690 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@](C)(O)CCOC)CC1 1286472722 DGPQFTXZGPBQAT-QFIPXVFZSA-N 413.522 1.496 30 10 HDEE C#CCN1CCN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCCO)CC1 1286473317 QEOFVABQZXCGAM-UHFFFAOYSA-N 423.561 1.902 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1286614830 CSLCMFWYEZMUBA-NEWSRXKRSA-N 421.542 1.652 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1286706555 PZPULQJOZUUHNG-CRAIPNDOSA-N 410.544 1.611 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1286714468 PYZFFYFIZCRDMQ-CYBMUJFWSA-N 409.512 1.576 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1286732009 ZEGHHTBNIAUAAT-INIZCTEOSA-N 407.540 1.636 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1287424452 YNIFYNIEAXYCIC-CQSZACIVSA-N 400.884 1.129 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)cc1 1287697685 NLMVPRFQXLNULK-UHFFFAOYSA-N 419.397 1.411 30 10 HDEE CN(C(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)c1ccccc1 1289436601 OTXQOMUPPIRCGO-PGRDOPGGSA-N 423.494 1.974 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@@H]1COCCO1 1293114089 RVPXVQDBGADUSP-JKSUJKDBSA-N 412.498 1.023 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cccn1 1293215342 DEPIQCOIQVTEJN-GOSISDBHSA-N 404.478 1.818 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1294976268 MSQUVMKCERWDIR-UHFFFAOYSA-N 416.478 1.440 30 10 HDEE C=C(C)CONC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1300220166 UXEJJOGUOCOLEJ-UHFFFAOYSA-N 419.297 1.708 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1300537261 BYXPRPNKCYBFQI-RBUKOAKNSA-N 417.579 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCn2ccnc2C1 1300590956 IWYMLNVHYUTDMS-GOSISDBHSA-N 405.506 1.323 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](C)CN2CCOCC2)CC1 1300690372 JLEQDWDWSKIWDZ-GOSISDBHSA-N 412.538 1.570 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300887400 BZCVNHZFCYPEQD-FNXXIHLHSA-N 416.526 1.636 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300950340 AHANEJUDHMAFDN-CQSZACIVSA-N 421.502 1.012 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1301283201 SCGHKMMUGRLYAE-CZIZESTLSA-N 403.446 1.965 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c(C(F)(F)F)cnn1C 1301440476 HETFQCXMIFELGP-JTQLQIEISA-N 415.397 1.294 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1301609768 NZQHIXVMDHRULP-IYBDPMFKSA-N 421.523 1.775 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 1301815208 NJLMSWBGAHOXDU-HNNXBMFYSA-N 403.504 1.880 30 10 HDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)C2)c1 1302562921 UKXHNLREFHSLGE-NRFANRHFSA-N 406.486 1.614 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC[C@H]2COCCO2)CCOC1 1303475461 GFRHADLRPOZCJF-FUHIMQAGSA-N 407.515 1.863 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1307833229 COASXWXUTFZDTA-IRXDYDNUSA-N 418.567 1.193 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(Cc4cncc(C#N)c4)C3)[C@@H]2C1 1308030138 WXOFNEYXZPAAPK-KURKYZTESA-N 413.478 1.968 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(N2CCOCC2)CCOCC1 1312839163 ZMDWXBDVVWLCLI-UHFFFAOYSA-N 407.511 1.741 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1313781481 QHMIOAVGUJEWCJ-ZBFHGGJFSA-N 419.507 1.698 30 10 HDEE COC(=O)c1ccn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 1350735985 WFBKOUBKOOCJFV-LTGZKZEYSA-N 419.463 1.121 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1ccnc1C 1358880851 UPKIJGLDUQAWDJ-MRXNPFEDSA-N 416.493 1.974 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCN(CC)CC1 1358977356 KSNLOQIUGFFBPP-RTWAWAEBSA-N 412.582 1.866 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCCO1 1359021548 SSRXQXISYSBGTQ-LJQANCHMSA-N 422.493 1.576 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1359081487 CKJILDSPUUUJMY-AWEZNQCLSA-N 408.304 1.692 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359132045 LLSMXQQHUITFHW-SJORKVTESA-N 419.526 1.596 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1359132626 BGCCNWSKWOTBMA-HXUWFJFHSA-N 419.570 1.923 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359215738 INGQWLUCDOZOMW-ZWKOTPCHSA-N 423.583 1.305 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359226544 HQVHRHLVJTVSCC-IRXDYDNUSA-N 419.526 1.596 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC1 1359310315 SHZGNMDZNXAWNO-KRWDZBQOSA-N 418.519 1.630 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc2c1OCO2 1360206658 CXRSDEGDOYYBGB-LJQANCHMSA-N 400.414 1.635 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)cc1 1440739503 JXWBMJKNRAVXFI-UHFFFAOYSA-N 422.894 1.800 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCOc2ccc(Br)cc21 1443534829 HSZXPNVIFBUEEV-UFZXGQNFSA-N 420.263 1.958 30 10 HDEE C[S@](=O)CCN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1444490613 QHGBWTDBWGWOER-RXAIFQJESA-N 400.545 1.096 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)cc1B1OC(C)(C)C(C)(C)O1 1446967260 BXVPLFCQHOGCBJ-FUHWJXTLSA-N 416.327 1.660 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC(C)(C)C 1451033021 TZRKIPMEEAFJKE-HNNXBMFYSA-N 411.499 1.609 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)C1=O 1456073551 FAEJBRJHDPKARA-AWEZNQCLSA-N 418.881 1.967 30 10 HDEE CC1(N2CCOCC2)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1460599929 DWDQGTBDOCGXNY-UHFFFAOYSA-N 408.506 1.869 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)C(=O)OC 1467514836 BFTBLQPDIWQIHF-GFCCVEGCSA-N 401.341 1.778 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1468502680 CMYWXIHLSORAAJ-MRXNPFEDSA-N 405.499 1.747 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1I 1471718145 OHEPPNKTWWIOJG-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE COc1cc2ncn(CCCC(=O)NCC3(C#N)CCOCC3)c(=O)c2cc1OC 1472338520 CODUFUJSTUUONR-UHFFFAOYSA-N 414.462 1.630 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1475315817 DXFFZJMTMCJRBD-SJORKVTESA-N 406.504 1.962 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1494589990 GXIYCEXHQKEDSK-IERDGZPVSA-N 409.469 1.979 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1503403615 PZWZSVVAOOXOLV-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1503557563 BBYRAMHHKXOIAR-INIZCTEOSA-N 408.466 1.378 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1507617998 FGILODHWXAHYAZ-UHFFFAOYSA-N 400.464 1.522 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)CC1 1507730214 OEGVNIDJMSYGAD-IBGZPJMESA-N 424.505 1.024 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1507732069 SLMKMJHYUNWQNG-OALUTQOASA-N 403.527 1.123 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1507959005 GIEWTTJFAJINLM-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1508095869 XXMRBILICPSQEP-OAHLLOKOSA-N 415.498 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)C1 1508112758 CCPNVRVRUAVMRP-CHWSQXEVSA-N 407.487 1.715 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)C1CCCCC1 1511853490 HIWVBLGVZIIPKX-UHFFFAOYSA-N 409.494 1.913 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1513370915 BOBGJVZUDRZYBF-SFTDATJTSA-N 417.558 1.393 30 10 HDEE CCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1514359202 CGQFODSQQYEIHL-CVEARBPZSA-N 407.540 1.879 30 10 HDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1514376900 IDEXRUSAAJYWDH-UGKGYDQZSA-N 410.522 1.889 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cnn(C)c1 1519327969 RAGWPLMHNDRLOF-DOTOQJQBSA-N 403.487 1.097 30 10 HDEE C=CCCOCC(=O)N1CCC(OC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1522037809 IUGJBGISRMEVMO-IYWGDAJJSA-N 404.507 1.221 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCN1C[C@H]2CCCCN2C1=O 1533251655 AIUCWQQMRLCQHJ-QGZVFWFLSA-N 409.494 1.557 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1snnc1C 1539028981 FNVAKAJSIQLTAI-NSHDSACASA-N 401.521 1.936 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539104102 BXUAYCMBEXEODU-OAQYLSRUSA-N 419.493 1.297 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539202141 GIRSEOLYWDQBCP-QZTJIDSGSA-N 407.584 1.903 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539519094 AWGIFGBRANWFDP-AEFFLSMTSA-N 401.536 1.870 30 10 HDEE N#Cc1cccc(C2(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)CCOCC2)c1 1539535490 KTXLFOASIPSPBK-UHFFFAOYSA-N 410.474 1.935 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539997860 VWXXIDRIJPJOHC-UHFFFAOYSA-N 419.493 1.522 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1540019057 ALHQSXJJEOSUAY-UHFFFAOYSA-N 420.558 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540865876 VIPOHMGGRPBHRA-KBPBESRZSA-N 409.512 1.407 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CCN2CCN(C)C(C)(C)C2)C1 1540896617 PKMRHLASTBUFMX-SFHVURJKSA-N 406.575 1.622 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)C1=O 1554354309 NYBYWLMZTKJMDS-NRFANRHFSA-N 404.478 1.665 30 10 HDEE COCC[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555454162 VRUUELRSMIFZJZ-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1555816231 DUBBHZRNRRIGDA-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CCO1 1555993502 PHFUEVIFMALBCQ-ROUUACIJSA-N 416.526 1.694 30 10 HDEE CS[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1N1CCCC1 1556104223 MZKGMANNMDWIIZ-SJORKVTESA-N 411.524 1.775 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(=O)OC 1556375961 XNGYFMAPWRCYMI-YVSFHVDLSA-N 406.479 1.213 30 10 HDEE CCOC(=O)[C@H](CC1(OC)CCC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1557361450 XHBIBONSOZLPKG-WMZOPIPTSA-N 413.474 1.918 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)CSCC#N)C3)[C@@H]2C1 1558066623 VXOSOTRUWBXEBF-MJBXVCDLSA-N 410.496 1.284 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(F)(F)F 1558443609 ZZPZAZRNKFDHKC-GXTWGEPZSA-N 405.398 1.718 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(C(=O)Nc3cc(OC)c(C#N)cc3F)C2)nn1 1563098740 BZGHFSPJTKDSTA-GFCCVEGCSA-N 402.386 1.953 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1583612605 YOQBZYDUDFBTGU-QGZVFWFLSA-N 424.526 1.821 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1584624841 DHTRAESEJPVPGY-GJZGRUSLSA-N 413.482 1.126 30 10 HDEE C#CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1586216266 CEOJRXNTJJZOLO-UONOGXRCSA-N 413.293 1.426 30 10 HDEE C#CCCCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587793083 GIOLFYPAOJJZOU-RTWAWAEBSA-N 403.527 1.824 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1587861671 PLYKBRPJWGCBQX-MSOLQXFVSA-N 421.567 1.817 30 10 HDEE C#CCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1587884148 RSZPWVJTPBKMSR-FQEVSTJZSA-N 411.506 1.920 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588055549 XMARWBSSJPAIOO-ZWKOTPCHSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1588138614 GSJFYRHMLIOULQ-KRWDZBQOSA-N 419.551 1.120 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCC(=O)NC(C)C)CC1 1588761896 BRLQXDVBNQOHHA-UHFFFAOYSA-N 410.522 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cnn(C)c2C)CC1 1588913151 ACWKELGPMHISHT-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1589110292 SDFLUUJGDXCQSS-UHFFFAOYSA-N 418.567 1.216 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593873549 ZUPTZUVVLZTSRD-DGCLKSJQSA-N 423.857 1.119 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594497322 FOFXMOWIRCFWOJ-INIZCTEOSA-N 411.572 1.856 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1594733679 XJKOLPMRWWIIOF-GPANFISMSA-N 415.535 1.762 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1594752886 SYKZYZUCSYNUPY-UHFFFAOYSA-N 420.521 1.960 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595405762 WXEKZKOAFHWIEI-LIRRHRJNSA-N 406.483 1.603 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC1(C)C 1595577646 ZLFJTQOCKDXXNQ-UHFFFAOYSA-N 402.524 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1cnccn1 1595811898 GEFZSRNKJWEXME-UHFFFAOYSA-N 413.507 1.291 30 10 HDEE N#CC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 1598394746 NHWCEOCQHPWHKI-OLZOCXBDSA-N 420.369 1.709 30 10 HDEE COCCNc1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cs1 1611246013 UBRDNUFNLIVOKD-GXTWGEPZSA-N 409.512 1.619 30 10 HDEE CN(CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)C1=NS(=O)(=O)c2ccccc21 1611499772 IAEOHSIWMJVYSB-SFHVURJKSA-N 424.482 1.539 30 10 HDEE O=C(Cn1ncc2ccc([N+](=O)[O-])cc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648924 OBYVRXUOYPLSLD-UHFFFAOYSA-N 423.385 1.849 30 10 HDEE COc1ccc(Br)cc1[C@@H]1NC(=O)N(Cc2ncc(C#N)cn2)C1=O 1613573643 GPVHJORPFMHPLZ-AWEZNQCLSA-N 402.208 1.912 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1C[C@H](F)C1 1618309801 QCXWEDIGWXAJNV-JCNLHEQBSA-N 420.514 1.940 30 10 HDEE COCCCN(C)CCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1619836346 WIKJDPDSOCNEFX-IBGZPJMESA-N 424.553 1.485 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCc2ccco2)CCO1 1620356301 WFEYUGCBURJKKF-CVEARBPZSA-N 400.439 1.158 30 10 HDEE Cc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(-c2ccc(F)cc2)n1 1620611308 PCHPWLPWZULQQT-LIRRHRJNSA-N 417.466 1.129 30 10 HDEE COc1ccc([C@@H](CNC(=O)Cc2ccc(C#N)nc2)N2CCOCC2)cc1OC 1623895461 KDIOMCBHRPHCPT-LJQANCHMSA-N 410.474 1.703 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)c1 1624358777 WWNXGJWAPJSYIP-UHFFFAOYSA-N 411.439 1.792 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 1625284367 IKTCBUYLQPUNDM-TZIWHRDSSA-N 416.474 1.538 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1626615493 XHMVMBUNKSINPB-UHFFFAOYSA-N 415.475 1.156 30 10 HDEE CN1C(=O)CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1627041068 IOLHRYSZTIPEQH-YRZMLANWSA-N 404.467 1.037 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)c1OC 1627355498 BLKSNJZGEXPATB-KRWDZBQOSA-N 417.487 1.980 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]([C@H]1CCCO1)C1(CO)CCC1 1627650431 DIHXRHKBOBGYJV-UYAOXDASSA-N 411.506 1.977 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2cccs2)s1 1628775021 BEKFOLUWQMSXLH-INIZCTEOSA-N 400.547 1.840 30 10 HDEE COc1cc(CN(C)C)ccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1629508192 AEKXYHOOOVFWCM-CQSZACIVSA-N 416.503 1.934 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](OCCO)C2)C1 1632987401 AUMWZMNJBMLRFR-INIZCTEOSA-N 408.296 1.757 30 10 HDEE CC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1634477759 UYYFPQOPNSLYBS-ADLMAVQZSA-N 403.826 1.316 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2ccccc2N2CCOCC2)n1 1635721326 JEFSKRATDQBGHD-UHFFFAOYSA-N 410.518 1.961 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3COc4ccc(Br)cc43)C2)c(=O)nc1O 1637513330 NGPGAQDTVVIXDC-CYBMUJFWSA-N 417.219 1.143 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331561 YVPNKPXWQMXPAH-QGZVFWFLSA-N 420.554 1.258 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3nc(C#N)cs3)CC2=O)C1 1638703191 MHRZIUHMVPVJBO-LLVKDONJSA-N 420.495 1.034 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1639885289 YETONBUGAYNHAT-GDBMZVCRSA-N 414.243 1.618 30 10 HDEE Cc1cc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc(C)c1C#N 1640636253 YWSHYDQAAMUSFQ-NRFANRHFSA-N 403.479 1.903 30 10 HDEE CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636568 JXLAWPBRJPZNMD-UHFFFAOYSA-N 419.482 1.535 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)CCCN1C(=O)OC(C)(C)C 1642969787 JIALEIMNQKCHKS-RTWAWAEBSA-N 419.478 1.700 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CSC1 1645212681 XAPSVBLSUJVVAV-UHFFFAOYSA-N 403.529 1.536 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(C)C)[C@@H](O)c2ccc(Cl)cc2)C1=O 1647742796 KIUDWTSXIZIEPP-HOTGVXAUSA-N 407.854 1.491 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCCCCNC(=O)CC2)CC1 1647983955 XZSQBLTUCPBKKY-SFHVURJKSA-N 417.579 1.839 30 10 HDEE N#Cc1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc2c1CCCCC2 1648500606 SEQBWDLPVSHNIA-ORAYPTAESA-N 418.544 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CN1CCN(C(=O)CC#N)CC1)C2 1653645646 IWEQNXCWYIAZLF-QGZVFWFLSA-N 406.527 1.850 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@]34CCCC[C@@]3(CN(C)C4)C2)c1 1653924691 FXMFHFIRCFBHHE-OYRHEFFESA-N 401.532 1.546 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](c2ccccc2)C(F)(F)F)CC1 1671865672 MPKVIHTTWQSFLR-HNNXBMFYSA-N 418.441 1.127 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(C)C 1675963046 BUSLMLDLSXIPKW-KRWDZBQOSA-N 400.483 1.085 30 10 HDEE CC1CCN(Cc2ccc(CNC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2)CC1 1676178030 FFXKWCFJBGZETA-UHFFFAOYSA-N 424.505 1.552 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)nn1 1678040718 UVYZTPQCKBWTSG-GOSISDBHSA-N 404.902 1.990 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1680958196 RIGYWYCPOKHBOT-OAGGEKHMSA-N 423.514 1.120 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2=O)cc1 1681300833 KHBSUOLFZJKCIA-SJORKVTESA-N 401.442 1.299 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)C1 1683594000 GPQURNSMIQXHSB-IRXDYDNUSA-N 406.527 1.106 30 10 HDEE CCN(Cc1nc(O)c2cc(OC)c(OC)cc2n1)C(=O)NCC#CCN(C)C 1685830488 XLUQRJAPDPXCON-UHFFFAOYSA-N 401.467 1.449 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2c(CC)nn(C)c2OC)c1 1689868363 FABJQMAMVFSSCF-UHFFFAOYSA-N 421.505 1.996 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1690362353 ABCCIHHXVHRRSQ-HNNXBMFYSA-N 417.514 1.341 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)NC)CC1 1690412092 CPMJMDFSDDTOBV-UHFFFAOYSA-N 407.515 1.960 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1)C1CC1 1690545350 OZDONHFRNSNXDM-KRWDZBQOSA-N 409.556 1.956 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(O)CCN(C(C)C)CC1 1690620379 ZRHDAOYDXGAIPL-UHFFFAOYSA-N 417.558 1.553 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1690639448 PGFDTJWTHRZTDE-GOSISDBHSA-N 412.542 1.152 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1691183078 RCVNWRYZUZKGDW-ZWKOTPCHSA-N 404.559 1.832 30 10 HDEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1695323552 FUOKURIZPAVVSM-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CO[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1697221511 HQRKYRBWMWFVKZ-QFIPXVFZSA-N 424.505 1.828 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1697782908 XEMSITNBIVYLPJ-IRXDYDNUSA-N 421.498 1.673 30 10 HDEE COC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1697882947 KUIAEJYETXTXTF-WMLDXEAASA-N 414.466 1.267 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(C(C)=O)CC1 1698115665 NJXOQXCKNXUNAA-JKSUJKDBSA-N 406.531 1.856 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1Cc1ccc(C#N)o1 1698172828 XFWRMVOGZPYTSI-UONOGXRCSA-N 416.438 1.156 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1705501637 LKFOJTPYPVXPLU-OAHLLOKOSA-N 423.514 1.782 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705510684 VZFPOSOBHMYWLH-NVXWUHKLSA-N 419.555 1.767 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1705559941 CBDZQHBYINASJN-XLIONFOSSA-N 422.551 1.357 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705571207 WROZLWWHDGVKRL-GOSISDBHSA-N 407.584 1.733 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705736641 YMCABHSMHOPJHA-HZPDHXFCSA-N 404.515 1.317 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1705746846 ANSXFBRVWXSUMC-CQSZACIVSA-N 404.968 1.561 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)cc1 1705911222 BYCBPEQXRYIHKJ-KRWDZBQOSA-N 418.519 1.630 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1705942801 DZOOPXBUAPWMHL-UHFFFAOYSA-N 403.512 1.933 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1706072472 CYYBLROFGDRVTP-KBPBESRZSA-N 402.455 1.407 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@H](C)CC(N)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1708382515 PLHNGKDSIUHCFA-VLCBPTRESA-N 403.487 1.018 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1711397746 AFMXDNMLKIUYTI-SFHVURJKSA-N 423.521 1.111 30 10 HDEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1711850276 HWPABVMQIYNQIW-KRWDZBQOSA-N 421.461 1.453 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC(C)CC1 1712647666 GLXDDYMNJIWKIX-FHWLQOOXSA-N 418.542 1.463 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722280779 WQDSISVNJKNVLO-ZIAGYGMSSA-N 403.508 1.425 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722322915 YAOQKKJVZZNSJX-KSZLIROESA-N 416.526 1.362 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722333725 YSHIJBBHEJADKU-IRXDYDNUSA-N 423.583 1.897 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1722384104 TWPCRQHCIPXAEL-OPYAIIAOSA-N 416.547 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[S@](=O)C(C)(C)C 1722387625 NPZPWBSUOSDECW-NDEPHWFRSA-N 403.552 1.524 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCCn1cnnn1 1722422270 XFUCSMJDMRAOOX-UHFFFAOYSA-N 400.874 1.761 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC(C)(C)C2)CC1 1722578849 DGTNTVJCEJFODN-UHFFFAOYSA-N 416.570 1.914 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C)C1 1722693535 RKDZJPYNPTWSOT-LLVKDONJSA-N 409.288 1.563 30 10 HDEE Cc1cccc(OCCN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1724244265 RWNSGFLCPRTCCB-VXPUYCOJSA-N 410.478 1.937 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCS(=O)(=O)C1 1727568194 AQWWQPYPFXFHBL-ZDUSSCGKSA-N 416.507 1.200 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCCN2CCCO)CCO1 1731188378 FOLDKBGCERBJOJ-IAGOWNOFSA-N 414.485 1.660 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1740627290 ZQZNUDGOWGMMIJ-INIZCTEOSA-N 405.911 1.643 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(N(C)C)CCC[C@@H](C)C2)CC1 1740695584 XUNTZVNITCVKJL-XXBNENTESA-N 424.597 1.944 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1740775924 IOCPTRLWVDIUEP-OAQYLSRUSA-N 400.527 1.814 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1740785447 FURVFFAYLKCWKT-GOSISDBHSA-N 403.458 1.914 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1740849100 YQPCLLKJRMFDIG-GOSISDBHSA-N 418.586 1.985 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1740875326 AAXBMBSHEUHSMA-ZDUSSCGKSA-N 407.487 1.669 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740928856 XZZGDNYWOAUGDQ-KRWDZBQOSA-N 405.462 1.983 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740954414 LRILYOJRRSEJMG-QRWLVFNGSA-N 401.467 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740957722 YPPOWDSGFUQOPE-FUHWJXTLSA-N 413.526 1.122 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1740966257 QRNBUHBWNHGNEO-ZIAGYGMSSA-N 404.496 1.466 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)NCC)CCC2)C1 1740977217 SKHGGXCZAAEPLT-QGZVFWFLSA-N 413.526 1.766 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@H](CO)O2)C1 1740984012 UXALDUDEZNMFAC-CEXWTWQISA-N 416.526 1.461 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ncn(-c2ccccc2)n1 1741128846 DMJSJNAPRRPBMD-HNNXBMFYSA-N 400.450 1.960 30 10 HDEE Cc1ccoc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1742082238 GDGQJRMVDLNASE-INIZCTEOSA-N 406.446 1.990 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC(C)CC1 1742835053 BOJVLUZLJMMSTP-KRWDZBQOSA-N 409.542 1.695 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1748296267 BSUAERVGQMYKTP-CZUORRHYSA-N 420.495 1.078 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1748655824 GSMTZKMVRJSXPK-AAEUAGOBSA-N 401.858 1.440 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748791360 STRYVIFEDIUPQU-BRWVUGGUSA-N 407.540 1.056 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1748856136 SNVKPMGZEVNMBF-UHFFFAOYSA-N 414.510 1.340 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1CCN(C(C)=O)CC1 1748964386 CLKAQINCWBUNAM-UHFFFAOYSA-N 410.522 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)COC)CC1 1748977858 KPOSETOHOLAFMY-RXVVDRJESA-N 405.543 1.356 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCOC)CC1 1749008822 CDQCKMFRQPDDJI-LJQANCHMSA-N 417.554 1.955 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)[C@H](C)CCC)CC1 1749010578 SSSDDKLTUAKESW-MRXNPFEDSA-N 414.554 1.674 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1749158319 GYRPNOPJIIJJGE-CQSZACIVSA-N 409.512 1.765 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCOC1 1749592337 IBXCTDDOUDYABG-LJQANCHMSA-N 403.439 1.644 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749650665 DRZYDLDLLXZRPS-ZWKOTPCHSA-N 403.575 1.310 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1749760865 PFPHLBVYVQTOJF-MRXNPFEDSA-N 417.539 1.700 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1751093997 BTQSTWCSPHDRLY-VXGBXAGGSA-N 413.454 1.558 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1760095472 PUTYFEAJZFCKGT-AWEZNQCLSA-N 400.508 1.464 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@]2(O)CCN(C)C2)c1 1760126665 FPUFVOGMQQRCCM-QFIPXVFZSA-N 410.522 1.524 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OC)c1OC 1760207026 VBQSXVXFUBKCIL-UHFFFAOYSA-N 407.474 1.539 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1760219414 DKXJCVKLXCJALZ-UHFFFAOYSA-N 406.552 1.269 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760335674 PKXDLTJUFSPOSR-PWAOUJBFSA-N 416.526 1.173 30 10 HDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1760467242 DWVMUQJMZRKPCB-UHFFFAOYSA-N 413.522 1.943 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@]2(CCSC2)C1 1760510000 AENQWFZMCGYOSH-PBHICJAKSA-N 413.569 1.130 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2cnccc2c1 1760521246 NIGVQEJERGHSHO-GOSISDBHSA-N 419.489 1.716 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760527584 BFYDIIBNPDMSMJ-MRXNPFEDSA-N 420.558 1.496 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760555227 AJPAMTFNOLWTME-NVXWUHKLSA-N 420.539 1.458 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(F)(F)F)CC2)nnc1C(C)(C)C 1760558270 KXHWLRJHWNGNFV-UHFFFAOYSA-N 423.505 1.861 30 10 HDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1763389317 NELJNKRTUSBBQX-YADHBBJMSA-N 424.505 1.749 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1764696926 HWBOGPNMHIGKLH-UHFFFAOYSA-N 400.508 1.760 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CC1 1767104133 NBAWJIQJUICFDG-IPMKNSEASA-N 403.575 1.794 30 10 HDEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768033152 DPEPIBKCYUWNFH-MRXNPFEDSA-N 424.509 1.029 30 10 HDEE COC[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769470275 PTYGSAZEAHTGOU-AMGRQBIBSA-N 400.483 1.230 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)cc1 1770739915 CNLOPTZYVSWOAX-IBGZPJMESA-N 419.489 1.948 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F 1772566378 KKJSTJGHMNROGB-OAHLLOKOSA-N 416.457 1.186 30 10 HDEE Cn1cc(C#CCNC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)cn1 1850458786 ASRDDTZNUQFTNL-UHFFFAOYSA-N 421.480 1.520 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(OCC(=O)Nc3cccc(C#N)c3)cc2)CC1 1850539669 POPJFNRCEYJGMQ-UHFFFAOYSA-N 406.442 1.880 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1851129298 XTEOIJRYTUHHGI-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCC(C#N)CC1 1851968687 LDSFJTZALRKBNB-NSHDSACASA-N 400.298 1.878 30 10 HDEE Cc1c(C#N)cncc1NC(=O)[C@@H]1C[C@@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1852474364 IITVEZHNKGYTKR-CVEARBPZSA-N 413.478 1.916 30 10 HDEE N#Cc1nnn2c1nc(NC(=O)CN1CCCCC1)c1ncc(C(F)(F)F)cc12 1852783729 PXQLADHGEPBGPK-UHFFFAOYSA-N 404.356 1.987 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CCCN2c2ccccn2)CC1 1853335485 AVJWSTZRHPRRDJ-LJQANCHMSA-N 406.490 1.682 30 10 HDEE Cc1cccc(N2CCN(CCCN(Cc3cnnn3C)C(=O)CC#N)C[C@@H]2C)c1 1853563165 SCNXVRDFGOGBEB-IBGZPJMESA-N 409.538 1.967 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)CC2=O)cc1 1853942086 YOVVRSFUFKPZMO-UHFFFAOYSA-N 401.419 1.512 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854036586 FMTRKDGRIOVALI-UHFFFAOYSA-N 413.455 1.305 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)[C@@H](C)C1=O 1854182751 OXCQKVGEYFFVNJ-CABCVRRESA-N 400.458 1.963 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3cncc(F)c3)C2=O)C1 1854882121 KFDOEYVTWUTMDW-GOSISDBHSA-N 409.421 1.772 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3ccc4c(c3)OCO4)C(=O)C2)C1 1854956430 MUQNHOMQGHRGGF-SJLPKXTDSA-N 412.490 1.395 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1855110837 XFONFOTZBFHNQH-WBVHZDCISA-N 415.515 1.847 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855321952 PJSVWRHSMBUBPD-PBHICJAKSA-N 402.428 1.873 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2nccc(N3CCOCC3)n2)C1=O 1855834313 ILVYQJXDLMJCAE-QZTJIDSGSA-N 413.522 1.875 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CCN(CCC#N)C(C)(C)C3=O)CC2=O)cc1 1855870382 OJZUCBKIRZXKLQ-INIZCTEOSA-N 412.490 1.801 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1856999235 MWQMMOQONTXACD-NVXWUHKLSA-N 400.479 1.471 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4ccncc4)C3=O)CC2)c1 1857015992 QXMUYYYPIGURMA-IBGZPJMESA-N 405.458 1.880 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(N4CCOCC4)nn3)C2)CC1 1857250385 LASFASQYSUMDSA-SFHVURJKSA-N 413.522 1.590 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857270159 JRHDHBAFXAYCNU-GDBMZVCRSA-N 400.479 1.261 30 10 HDEE Cc1nn(C)cc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857465203 LTDISAMSEDOXLV-OAHLLOKOSA-N 408.462 1.137 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCc3ccncc3)ncnc21 1875229696 BNKBYNBOUIWEHE-UHFFFAOYSA-N 419.489 1.962 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@@H]2OCC[C@H]21 1880980026 LLZAIXDXRLDGQX-ILXRZTDVSA-N 402.403 1.908 30 10 HDEE C#CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1nn(C)cc1I 1884945935 NCHROBZGJOIBCP-NSHDSACASA-N 404.252 1.895 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N[C@@H](CC#N)C(F)(F)F 1965048570 IXRPZOMHHJSCDM-QWRGUYRKSA-N 413.418 1.371 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CNS(=O)(=O)CC2(C#N)CCOCC2)CC1 2174781174 CODZJDSYEUBCQW-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE CN(C(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)[C@@H](CC#N)C(F)(F)F 2181107060 CJOPFSNQJHVTCK-IINYFYTJSA-N 413.418 1.371 30 10 HDEE C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186640086 YKJOKMPMWLARKB-WDEREUQCSA-N 400.331 1.054 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN([C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2234454790 ZCMORNDQVWXQKR-OAGGEKHMSA-N 400.545 1.539 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243398177 NWDBTUMOOZIVQX-GFCCVEGCSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2243702448 OMTDHCFQWJAKQC-UKRRQHHQSA-N 410.320 1.956 30 10 HDEE C[C@H](CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247817853 QXZWZPVTEKAYQT-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247922975 QJOQFRBRKYXFFI-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CNC[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354828 RTUPMDCODYPKBK-SNVBAGLBSA-N 408.782 1.929 30 10 HDEE C#CCN(C(=O)[C@]1(CF)CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2281292311 RYUQNQLUELHJSL-KDOFPFPSSA-N 402.488 1.232 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCS(=O)(=O)C(F)F)cs2)OC1(C)C 2282201165 SSEJVJQNOMNLSO-UHFFFAOYSA-N 409.285 1.805 30 10 HDEE CC1(CCNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2282317485 RTRNDVLZSSBAFK-UHFFFAOYSA-N 420.793 1.979 30 10 HDEE CN([C@H]1COC[C@H]1O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282317538 SMEYBKADIXEWFJ-WDEREUQCSA-N 423.749 1.081 30 10 HDEE C[C@H]1CNCC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282337246 FUKCGYHRWIMYBL-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@]1(C)CO 2282341525 UAXQRSXHUZWKKK-PXAZEXFGSA-N 401.359 1.686 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCNCCC2)sc1B1OC(C)(C)C(C)(C)O1 2282407674 AYISAJTTZZQNLP-UHFFFAOYSA-N 400.375 1.730 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCOC(=N)O)ccc2Cl)OC1(C)C 2282414371 RSJMDNBZGDBKEX-UHFFFAOYSA-N 404.681 1.427 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@@H]2CO)OC1(C)C 2282416142 RESPXVCFGTWXPH-CQSZACIVSA-N 401.359 1.724 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H](N)C3)c(Cl)c2)OC1(C)C 2282494475 ZGRBPJSFQLEYNK-QWHCGFSZSA-N 400.737 1.797 30 10 HDEE CN1CCC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282499055 MSYOWTZQHVAKHQ-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282500125 IEHOWVXEHUSSRJ-CANCMXDXSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@]23CCOC[C@@H]2C3)OC1(C)C 2282504271 MIPBRLOAPKLRCC-MEDUHNTESA-N 400.331 1.041 30 10 HDEE CCN(C)C(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829586 GZBZZILGOGSKOV-UHFFFAOYSA-N 422.765 1.457 30 10 HDEE CO[C@@H]1CC[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838735 UCNYQBZWSAIIEX-DGCLKSJQSA-N 402.347 1.287 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C)(C)[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282840996 LDCHPEQYMZTDOO-LBPRGKRZSA-N 401.359 1.747 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282870606 VFTRHHRCBPHBLM-GWCFXTLKSA-N 401.359 1.808 30 10 HDEE CC[C@@H](CN(C)C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880224 GBZUAJRDFPOIQF-AWEZNQCLSA-N 402.391 1.807 30 10 HDEE C[C@H](C(=O)O)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284393813 PTFIMMBCPDKJPN-SNVBAGLBSA-N 403.693 1.733 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@](C)(C(=O)O)C2CC2)OC1(C)C 2284399584 MBUNNOZCCOQIMB-INIZCTEOSA-N 401.315 1.579 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@@]1(O)[C@@H]2COC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 2285905001 XFULZJWYXKYURV-TVEAVKIZSA-N 400.456 1.839 30 10 HDEE C=C(CS(=O)(=O)N1CCN(c2nncs2)CC1)B1OC(C)(C)C(C)(C)O1 2362029941 SLBUJHNKCFOWRN-UHFFFAOYSA-N 400.335 1.178 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1C1(C)OCCO1 2362336444 QXICAPYBBCHQIU-CQSZACIVSA-N 405.304 1.477 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2365212155 PBLIWRARXBORBP-GJZGRUSLSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367794538 IBKCYJWREYJHDM-CRAIPNDOSA-N 401.525 1.640 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375226356 JHNFOGRYIPWRQL-RDTXWAMCSA-N 402.513 1.113 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@]1(C(=O)O)CCC[C@@H](S(C)(=O)=O)C1 2377334728 LVPVHNYQHZUWJL-RDTXWAMCSA-N 404.529 1.858 30 10 HDEE C#CCNC(=O)CCN[C@@]1(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2379458682 GPVYEZSTQGCYMB-GCJKJVERSA-N 415.490 1.606 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)cc1 20247909 NZXNCEFWPVQHQJ-WSDLNYQXSA-N 411.491 1.855 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ncccc3C(=O)NC[C@H]3CCCO3)CC2)cc1 22647141 IBVVEHVDBLAYQU-LJQANCHMSA-N 419.485 1.824 30 10 HDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 116408368 UINWENJZJUBFAC-QGZVFWFLSA-N 401.444 1.523 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)CN2CCN(c3ccccc3F)C2=O)C1 219962793 DAENMIVABBCIHB-AWEZNQCLSA-N 410.409 1.409 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NC2(CC(=O)OC)CCS(=O)(=O)CC2)cc1 439228042 UQSYKMWSEXREGF-UHFFFAOYSA-N 423.491 1.234 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCC(=O)N2CC(=O)Nc3ccccc32)cn1 461298997 JRKSJFUPHBYZQY-UHFFFAOYSA-N 415.413 1.843 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNC(=O)c2ccc(Br)o2)cn1 461861553 CZNYFEQDMPUUNS-UHFFFAOYSA-N 415.207 1.863 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCNC(=O)c1ccccc1 465222702 HPCWBTLFIRLHPC-INIZCTEOSA-N 407.478 1.388 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)cn2C)CC1 471657613 IEZNEECPQSUUFQ-UHFFFAOYSA-N 417.447 1.260 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 472617407 RFRCQQYTWIXKIS-GOSISDBHSA-N 420.443 1.777 30 10 HDEE COc1cc(C(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc(OC)c1OC 476546399 VOCBFGCRNIUVPP-HNNXBMFYSA-N 401.394 1.962 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 478414093 FIRCODIMQGOELE-KUHUBIRLSA-N 407.492 1.022 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 486015792 FRVPTLXHQCSSTF-LBPRGKRZSA-N 424.504 1.213 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1)n1cnc(C#N)n1 494682117 WWRTVURERKTQLS-ZDUSSCGKSA-N 415.413 1.948 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 502102165 YPYRKCNDQCDXPW-CRAIPNDOSA-N 422.528 1.974 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)CC1 531806824 XJBQDVONJAWKMI-UHFFFAOYSA-N 411.487 1.315 30 10 HDEE C=C(C)[C@@H](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC 535895568 IKLBETDHVMNISK-OAHLLOKOSA-N 402.538 1.757 30 10 HDEE CCn1cc(Br)c(=O)c(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1 542736730 AAEHTAWFWKIUEH-UHFFFAOYSA-N 403.236 1.871 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cc1 543352091 NPRPEDLFQLOGTD-GOSISDBHSA-N 414.487 1.471 30 10 HDEE Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 545173889 UAYKGBIOUOQVEH-UYAOXDASSA-N 403.527 1.575 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555021423 RLSSMGMEUSPZEE-UHFFFAOYSA-N 420.477 1.169 30 10 HDEE COC(=O)COc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 555047551 YBFMOGDHZMTRCH-UHFFFAOYSA-N 409.446 1.537 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 566331896 WLUVODOBLODWJS-HIFRSBDPSA-N 423.543 1.615 30 10 HDEE N#Cc1ccnnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@@H]2CCCC[C@@H]2O)n1 585607558 CNZIEPWQBCPASX-KSZLIROESA-N 409.494 1.852 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 589642160 BDJABDQVAWINEC-BEFAXECRSA-N 410.478 1.644 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nc(-c3ccc(Cl)cc3)no2)CC1 604661770 UUVZEIZITFYOMC-UHFFFAOYSA-N 418.885 1.519 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)c(C#N)c1 728503505 SCNTZAJKXGMPMP-UHFFFAOYSA-N 409.464 1.699 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 732165249 DGYAKEMCHBDJJF-AEFFLSMTSA-N 418.563 1.979 30 10 HDEE CC(C)Cn1c(N2CCOCC2)nn(CN2CCN(C3CC3)[C@H](C#N)C2)c1=S 732666248 MVOAZUMGAOJGOD-QGZVFWFLSA-N 405.572 1.536 30 10 HDEE N#Cc1ccc([C@@H](OC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C(N)=O)cc1 734569528 QXJZJCSFPAXHIR-HXUWFJFHSA-N 421.434 1.990 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 738169590 KDPKYUOFNCAZPS-NZQKXSOJSA-N 424.549 1.385 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CSC[C@H]1C(=O)Nc1ccccc1 746120735 UMKVFJROVMTKTJ-STGLLQLASA-N 400.460 1.443 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H](CNC(=O)c2ccccc2)C1 748738023 CCDYDRZYCMCBJU-BLRPHQBRSA-N 410.474 1.572 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CC1 748814112 ZOZDTTYKWPAOEV-SFHVURJKSA-N 411.481 1.833 30 10 HDEE CCC(CC)C(=O)N1CCC(=NOCC(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 749788578 DBTWFYLAWIXAMI-FQEVSTJZSA-N 424.586 1.891 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 751365287 CEEWWFMFYXOMRZ-OAHLLOKOSA-N 403.483 1.390 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCO[C@H]2CCOC2)C1=O 757369139 CGRFKTJQXNHFEQ-RDJZCZTQSA-N 416.503 1.821 30 10 HDEE C#CCCN1CCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 767377290 JVFFJNASSQAZIT-UHFFFAOYSA-N 413.337 1.942 30 10 HDEE Cc1cnn(Cc2ccccc2F)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 769255699 WQPXCDUFGSUWBG-QGZVFWFLSA-N 410.453 1.516 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774183977 AAWARPDDXQJUMG-UXHICEINSA-N 403.548 1.964 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(CCCc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 774249319 YHKSDFNHUIYWKP-OALUTQOASA-N 417.531 1.052 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCSC[C@H]2C#N)C1=O 775497882 LOPWTTKHZRBJRZ-BFUOFWGJSA-N 402.476 1.238 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)CCOC2CN(C(=O)OC(C)(C)C)C2)c1 776862832 MRUGFPQEJFEDOU-UHFFFAOYSA-N 415.490 1.773 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1 780922329 ZMWAKZFYYVZELA-NRFANRHFSA-N 405.458 1.981 30 10 HDEE O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)OCC#Cc1ccc(Cl)cc1 786998608 DCWDPWDEPWCEQR-IBGZPJMESA-N 404.894 1.948 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)c(N3CCOC3=O)c2)CC1 797661301 AEDNQGPCXAXFFU-UHFFFAOYSA-N 405.430 1.234 30 10 HDEE CCN1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 801668722 NTLGYYKUYKUEBN-SSPLZPMDSA-N 407.496 1.242 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cc(C#N)ccn3)C2)C(=O)C1 807277574 SYTODMUTPUNDSI-MRXNPFEDSA-N 413.478 1.637 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cnn([C@@H]2CCOC2)c1 816461389 OFBLEQVCELSHBC-CYBMUJFWSA-N 415.431 1.527 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1128218888 JIBSEKAUUFCFIB-ZTFGCOKTSA-N 421.881 1.501 30 10 HDEE N#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(F)(F)F 1134050308 FXJTZBVEWBOTFH-ZRJDUIELSA-N 408.380 1.750 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N(C)C2CC2)c1 1136043837 QKOGGAXOPYBVFI-KRWDZBQOSA-N 406.529 1.620 30 10 HDEE N#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1cccc(Br)c1 1137572169 ZKMALQMZZMLQMR-CYBMUJFWSA-N 410.249 1.797 30 10 HDEE CN(C)[C@]1(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)COc2ccccc2C1 1138108985 YOCIIGLMDMHTMW-JKSBSHDWSA-N 414.506 1.797 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1 1140230768 DJFNSNDSORUKGS-UHFFFAOYSA-N 403.460 1.172 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1141486827 DVFPDPPLTZXYFK-FOIQADDNSA-N 403.483 1.896 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1141833813 UELIHPSECONYIT-CFZBQGPWSA-N 404.511 1.886 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OCC)o2)s1 1148800334 SMAIELBMOIRWJQ-UHFFFAOYSA-N 412.489 1.841 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1)C(=O)OCC 1151573476 GHYQKJJCESUIBY-OAHLLOKOSA-N 419.858 1.993 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC 1171471140 WOLBXGDBPCBLAM-LBPRGKRZSA-N 409.291 1.896 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)cc1 1194060701 UMMPGAVODQDTFT-UHFFFAOYSA-N 417.491 1.530 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 1222589585 CVKRVJPTNSEVHL-KXBFYZLASA-N 407.478 1.317 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1230799481 RAPFUGPQSUYZOW-FQEVSTJZSA-N 424.526 1.760 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1286321809 BISGEJHNOPQTCF-GOSISDBHSA-N 421.567 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1286361904 UXDJMDSZGXJRRS-IAGOWNOFSA-N 410.588 1.326 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C 1286408877 GEBQTQJNRRCTTF-OALUTQOASA-N 417.579 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1286418428 IWDXLKVZJOAEOC-CQSZACIVSA-N 415.295 1.777 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1 1286419132 NNGDDYHPDLCQOA-LJAQVGFWSA-N 410.503 1.299 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C 1286446006 CVFYTHJTKRICFQ-UHFFFAOYSA-N 403.552 1.965 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286496161 OOSSVHVYFHOYPN-GOEBONIOSA-N 418.567 1.925 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1286787849 KHDRDJLUTNPGLP-YCRPNKLZSA-N 415.469 1.321 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286816287 FASKJJNVMXBGMU-HRCADAONSA-N 409.556 1.449 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1286821763 UNGQKKKJNBEDQJ-UHFFFAOYSA-N 424.958 1.816 30 10 HDEE CN1CCCC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 1291649709 LAJPNADDLNNNNR-WFOVFMPGSA-N 406.508 1.696 30 10 HDEE CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1295919555 GEDQYYXVXLCPJK-KDOFPFPSSA-N 420.543 1.283 30 10 HDEE C#CCN(CC(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1)C(=O)OC(C)(C)C 1297282081 DOKDNMAEZMQQOG-WVDZOPJMSA-N 408.524 1.405 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CCCC2)cn1 1298810546 DRHSSKOPEYDHJR-QGZVFWFLSA-N 421.502 1.478 30 10 HDEE CCOC(=O)Cn1nc(C)cc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1300174702 FCCGAKKCZWHLPG-UHFFFAOYSA-N 404.448 1.180 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1300294917 BCDREMFOQGLHTO-IRXDYDNUSA-N 420.521 1.805 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2ncn(C)n2)c1 1300332244 ANJMOOYFXUHFOO-UHFFFAOYSA-N 415.461 1.506 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1300428262 AOQVACQXHHBXPX-GOSISDBHSA-N 400.527 1.287 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1 1300671824 QMBMLDDOAXQMSM-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(OC)CCOC1 1300675927 WYUJAHQMSDQHHZ-FQEVSTJZSA-N 402.499 1.031 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)c1nccs1 1301474478 AOGSYDSIESMMCO-AWEZNQCLSA-N 417.539 1.513 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301500320 KXXNPFMCGHLHIJ-HOTGVXAUSA-N 420.514 1.189 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1301518947 LDDGQAYAHYNDMO-UHFFFAOYSA-N 408.510 1.471 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 1302285673 OQFUSSLIJKNKLB-SFTDATJTSA-N 403.479 1.148 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1303425540 PAJWPXLFVKRBAL-QFIPXVFZSA-N 424.505 1.727 30 10 HDEE Cc1ccc(CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1C#N 1312941774 HXPKBJBJXCIMQD-SFHVURJKSA-N 407.540 1.621 30 10 HDEE CO[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1315211899 UJOALFLJHURCMW-BBRMVZONSA-N 402.455 1.406 30 10 HDEE COC[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315893543 ZHVWGTOEEGBFCC-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316262256 RDLUOZSBZGQJPF-FUHWJXTLSA-N 404.515 1.012 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 1319629620 DNYRRYMZTOIFRJ-XUTLUUPISA-N 412.446 1.486 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 1319951843 FHNNHGVYEBWYDH-IRXDYDNUSA-N 417.462 1.603 30 10 HDEE C=C[C@H](COC)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 1347368914 BBNLVGAIDYNRKI-UCIXUQDCSA-N 406.482 1.783 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1352384528 LGRNFVIOZMYGLH-OAHLLOKOSA-N 411.462 1.437 30 10 HDEE C=CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@H]1CCS(=O)(=O)C1 1352903426 AENQWJHOMLXSMW-ZDUSSCGKSA-N 408.411 1.735 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC12CCOCC2 1359027823 XDYQNNVBJWEFMA-FHWLQOOXSA-N 418.538 1.905 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](C)(C(N)=O)C1 1359051195 OZFGIGJNVNAKJY-IBGZPJMESA-N 414.491 1.921 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359056788 LLRMCCFBSZOHDW-QGZVFWFLSA-N 418.567 1.486 30 10 HDEE C=C(Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1359138717 BTVKQCFNYSRSEL-LJQANCHMSA-N 411.506 1.790 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359164211 IMWJZUVLBKWIMU-ROUUACIJSA-N 401.559 1.412 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O 1360236826 QFMVFQPPUXZUCT-NWDGAFQWSA-N 406.405 1.853 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cc(Br)ccc2-n2cnnn2)n1 1436123977 NJLGSXRLRYVIDF-UHFFFAOYSA-N 414.267 1.917 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1nc(O)c(C#N)cc1C 1445040048 UJTAIIVPUMHJEC-AWEZNQCLSA-N 418.450 1.592 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cc3c(=O)[nH]c(C)cn3n2)C1=O 1448760235 YXKAJWCFSSUMNB-LJQANCHMSA-N 402.455 1.647 30 10 HDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CCC2 1452755265 HZIDVWHOMZQRQH-HNNXBMFYSA-N 414.487 1.008 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1COc2cc(F)ccc2C1 1453635103 DWSLFPRDEXWBSD-BLLLJJGKSA-N 403.435 1.484 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1455908971 BEVRLPDGMZDSCB-VQIMIIECSA-N 420.473 1.903 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)c1 1456040063 HENICONQKMVNLS-UHFFFAOYSA-N 424.482 1.018 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1456476291 MQPQFPGHQKAKLN-MRXNPFEDSA-N 402.451 1.099 30 10 HDEE Cn1nccc1CN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1457228923 SQYJJVQQALOLAL-UHFFFAOYSA-N 418.295 1.777 30 10 HDEE CO[C@]1(CNC(=O)c2occc2COc2cccc(C#N)c2)CCS(=O)(=O)C1 1462859812 DFFAOROLSKWZLT-IBGZPJMESA-N 404.444 1.664 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OC 1463853269 GCVXMVWZXSQKBN-SJORKVTESA-N 408.476 1.272 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1OC 1467810575 BUORMSVEPUVYIY-OALUTQOASA-N 419.522 1.892 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1OC 1467810579 BUORMSVEPUVYIY-RTBURBONSA-N 419.522 1.892 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1)C(=O)OC 1468874624 BAPMFTDYBZCWDJ-QGZVFWFLSA-N 416.455 1.791 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 1471893752 OEYCRVFJNOQEPX-HRAATJIYSA-N 401.463 1.776 30 10 HDEE C#CC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1475378368 NEZWOFBRWUTSPV-JKSUJKDBSA-N 412.895 1.429 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(OCCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1487075927 QSTZIAGFWGNTGS-MIDILNBFSA-N 418.534 1.515 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1493168352 DDPGRJPXGCIDKD-NYHFZMIOSA-N 420.473 1.984 30 10 HDEE CN(Cc1nccs1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1503518168 KUVAFQVNENTWFM-FBMGVBCBSA-N 424.490 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1507520768 QUXUOCKPLUZKQS-SJKOYZFVSA-N 408.300 1.655 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1507532918 HMIDNGQCLVDRPP-KKUMJFAQSA-N 410.469 1.043 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCNc1nccc(C(F)(F)F)n1 1507609214 YTYSCNDZCUICMV-UHFFFAOYSA-N 405.388 1.669 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCCOC)[C@@H]1CCS(=O)(=O)C1 1507622251 HNGZNBLBLRUSTE-MRXNPFEDSA-N 412.556 1.255 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1508099490 ZGWDAIOWTXOTCY-NRFANRHFSA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(Cn2ccnn2)CC1 1508139998 FPTQFCCDNNUWAO-UHFFFAOYSA-N 419.555 1.655 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1508531223 CRZJTKHKUHTPCA-OAHLLOKOSA-N 418.523 1.283 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCO1 1509852410 XFDXCGHYRCFONG-GOSISDBHSA-N 411.466 1.822 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCC(=O)N1CCOCC1 1511905044 DKAVMPUUSZVZSN-IBGZPJMESA-N 410.478 1.285 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1(C)C 1518604479 KWHAGAVQRBHNNS-INIZCTEOSA-N 418.523 1.227 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1525467005 YSOZSAQRHOMKKP-GXTWGEPZSA-N 422.461 1.652 30 10 HDEE C#CC[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1533635292 UHPZFFRUWQUWJV-INIZCTEOSA-N 418.515 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539001764 JIKBVYVTRJOKJU-INIZCTEOSA-N 419.489 1.708 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1539239347 KVNLGZIOBCYQRN-AWEZNQCLSA-N 419.482 1.157 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(F)(F)C1 1539416471 ONJKLHKPRDXAMH-GJZGRUSLSA-N 416.494 1.702 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1 1539538427 HPJSJFWJSQKFTN-FXAWDEMLSA-N 422.599 1.756 30 10 HDEE C=CC[S@@](=O)(=NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 1539646445 ROZCRUZOAQOBLQ-JHPPMGGFSA-N 402.472 1.779 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1540200776 IEEAVFYAVRKGME-KRWDZBQOSA-N 419.551 1.765 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)nn(-c2ccccc2)c1N 1540797278 SKMMCEOEOXJDLX-CVEARBPZSA-N 423.395 1.721 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1540855834 AFEXIFVMTPATKT-OAHLLOKOSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCCC2=O)CC1 1540871759 SVZNETKQPPROTM-INIZCTEOSA-N 416.526 1.066 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)cs2)C1 1540892460 LYQOKQAFMLSYSN-CABCVRRESA-N 423.564 1.775 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(CC#N)c2)cc1 1545046835 GHRSNCFZCBAIOC-UHFFFAOYSA-N 400.460 1.970 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3CCOCC3)[C@@H](C(N)=O)C2)cc1C(F)(F)F 1548367986 CLDCEPVSRLWNFV-MRXNPFEDSA-N 410.396 1.506 30 10 HDEE CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1552698452 AUTUWUSBVXWNGL-FQEVSTJZSA-N 410.482 1.534 30 10 HDEE COC(=O)C1(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CCS(=O)(=O)CC1 1556351373 XSOKZQLBOMFZEU-UHFFFAOYSA-N 404.488 1.607 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C[C@H]21 1556737603 JVOBVBPTVXTJAU-ZFWYWMFDSA-N 403.479 1.651 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCc3cnccn3)CC2)c1 1558055731 DFULBFBDPSDRFG-UHFFFAOYSA-N 412.515 1.274 30 10 HDEE N#C[C@@]12CN(C(=O)CCCC(=O)c3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 1558511757 YOGWDKRVHPVDLL-YWZLYKJASA-N 418.471 1.208 30 10 HDEE CCN(CC)S(=O)(=O)N1CCN(c2cc(C#N)c(Br)cn2)CC1 1559258925 AGHHFWYVZJKGGQ-UHFFFAOYSA-N 402.318 1.424 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1560003820 HECGLCVSZGBRPW-KRWDZBQOSA-N 423.521 1.966 30 10 HDEE C#CCCS(=O)(=O)N[C@@]1(C(=O)OC)CCc2cc(Br)ccc2C1 1561762014 FPLGIIHYTINGSW-INIZCTEOSA-N 400.294 1.792 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1570227686 OQNDCQSDQZQOJM-GFCCVEGCSA-N 406.382 1.114 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1586761458 XSVBNNJIBHPELB-IHPCNDPISA-N 404.482 1.941 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCSC(F)(F)F 1588560177 ODASHWJJWUEHJX-UHFFFAOYSA-N 405.446 1.853 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2cn[nH]c2)CC1 1588871358 APVIAIQMWIDWRB-UHFFFAOYSA-N 409.469 1.717 30 10 HDEE C=CCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1594727024 KFCMUWXKPKYDNO-UHFFFAOYSA-N 400.527 1.783 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1594733494 UKXVHSDZVYWJKW-HZPDHXFCSA-N 409.556 1.641 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)O)C1 1595689988 YPXTZJKOLYOECJ-INIZCTEOSA-N 420.535 1.901 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C1 1595745581 SXUMDAQCOMANHU-IBGZPJMESA-N 424.505 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C)C1 1595804561 CKWNCOWHPWCQMV-OAHLLOKOSA-N 408.499 1.834 30 10 HDEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1596723396 ZQDXOPFKIZWVSU-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CN=c3nc[nH]cc3C#N)CC2)cc1OC 1611983110 BWJGNIKTGSNGIF-UHFFFAOYSA-N 417.491 1.300 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1616176383 CMAKZMSIMOSCGX-NHCUHLMSSA-N 418.542 1.127 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1617312726 KRTJMAKBRRGEIB-HUUCEWRRSA-N 403.508 1.865 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCOCC2)CC1 1619980198 FSQUBZDNXAOIJV-KRWDZBQOSA-N 418.542 1.607 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)C1CC1 1620111592 ZODQMSXIJMUQKB-FZCLSBEQSA-N 404.515 1.214 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1cc[nH]n1 1629072430 JMVTYOSOIVDIPQ-HNNXBMFYSA-N 404.423 1.494 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H](C)O1 1629341717 HEYBYNJPYIFDBM-FFSVYQOJSA-N 405.838 1.353 30 10 HDEE Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N2CCN(C(=O)CC#N)CC2)c1 1630034370 ONZSHUQTEHTDPY-UHFFFAOYSA-N 412.519 1.869 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1630622363 PNDJMAQVYWHBMB-GOSISDBHSA-N 401.511 1.490 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1631262954 ZXMAZLCKVSXTJI-IAGOWNOFSA-N 422.526 1.860 30 10 HDEE Cn1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2ccc(C#N)cc2)n1 1634175319 YXYWOHABUPOLAC-PXNSSMCTSA-N 424.486 1.039 30 10 HDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1636954695 YWFNMMYYKFUMCO-MCIONIFRSA-N 407.492 1.352 30 10 HDEE Cc1nc(SCC(=O)Nc2nc(C)n(C)c2C(=O)NCCO)c(C#N)c(C)c1C 1640156367 VSLPDVJUHYKNAY-UHFFFAOYSA-N 416.507 1.373 30 10 HDEE CN1Cc2ccccc2[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1=O 1641677977 ZJRYCNDFDVZPFR-QGZVFWFLSA-N 401.419 1.566 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1CC(CO)(CO)C1 1641696602 FSAIHSSJHMCZGJ-UHFFFAOYSA-N 413.268 1.348 30 10 HDEE COc1ccc([C@H](CO)CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1642361676 MVDINPRVHXZKTO-KRWDZBQOSA-N 417.487 1.311 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1643359661 ZNSTVHZKFXXYCR-KRWDZBQOSA-N 404.488 1.559 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccccc3C)n2)CC1 1643372487 NQMUZVAJFRULEH-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)CCNS(=O)(=O)c2ccccc2F)C1 1643499828 XOSZGDYSYDDTAH-HXUWFJFHSA-N 416.478 1.973 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(OC3CCCCC3)c2)CC1 1644285091 HOIFZMNAWOGYDJ-UHFFFAOYSA-N 406.508 1.019 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1644943410 XLSCBTHIEHYJKP-QPGLYAHGSA-N 411.502 1.719 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1646251118 PUSAZTCWPQAHKB-UHFFFAOYSA-N 404.517 1.628 30 10 HDEE C#CCN(C)CCCNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1647018693 KBKXPRPGHNILCV-UHFFFAOYSA-N 419.323 1.591 30 10 HDEE CCC(O)(CC)CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1647944178 HEKBOKQEQJHLIL-UHFFFAOYSA-N 415.494 1.938 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F)C(=O)OC 1655131767 JUCVFIFUHZVCBE-AWEZNQCLSA-N 403.476 1.641 30 10 HDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc21 1663626567 HHDPULAAAILBEI-WMLDXEAASA-N 402.520 1.908 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1666004957 JENUUCSEVZPYOD-LJQANCHMSA-N 423.535 1.076 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCC2(CC(C(=O)OC(C)(C)C)C2)O1 1670883014 UFWPHYQRAFNZRX-XAUUPUKJSA-N 416.540 1.556 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c[nH]c3c(CC)cccc23)CC1 1677535859 OWCQYXZMFAJXCQ-UHFFFAOYSA-N 417.535 1.068 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc4c(c3)CCNC4=O)C2=O)cc1 1679126947 DLLOEEFFEWVOJG-IBGZPJMESA-N 403.442 1.767 30 10 HDEE COc1ccc(CNC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 1683696695 YSQOUFGZBPJNBA-HZPDHXFCSA-N 404.467 1.736 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)C1 1687593215 LNFJLBCIXWQMIC-WMZOPIPTSA-N 408.340 1.997 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NC)CC1 1689897614 CADVJMKGMGZGDQ-UHFFFAOYSA-N 420.521 1.782 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1CCS(=O)(=O)C1 1689975184 NJLCURAQPZVJGA-INIZCTEOSA-N 418.519 1.760 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1689990144 MCLFQIFPWDSDQM-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1Cl 1689998150 CSXOKXGOQFKFKC-UHFFFAOYSA-N 412.881 1.714 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCOCC1 1690028060 JENPMFKYJBAQJZ-SFHVURJKSA-N 411.481 1.790 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1690082911 SSTYEEFKMHRGAC-UHFFFAOYSA-N 424.549 1.523 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnnn1C 1690092565 MZSAOLWYVXCPOJ-UHFFFAOYSA-N 422.493 1.410 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCCCC2)CC1 1690120448 VOIQCTDDYDESIB-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1690154001 GSFVZJMNLYYATG-YTQUADARSA-N 415.538 1.768 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1690179246 SAVHFYPNENEABF-UHFFFAOYSA-N 404.565 1.758 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690186874 WMPDZRDFFRAEQJ-LSDHHAIUSA-N 413.569 1.014 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)CCC 1690193231 IYQDQOWQWZNRQV-VQIMIIECSA-N 410.588 1.612 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCS(=O)(=O)NC)CC1 1690384216 JWZTYZDQABKJBE-HZPDHXFCSA-N 411.572 1.902 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1690502870 INYGLXQYVVAQIE-UHFFFAOYSA-N 424.509 1.722 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1693559137 OXSWDBUIJYATLR-APWZRJJASA-N 411.485 1.246 30 10 HDEE CCCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1695445898 XUVPNYZADPWACR-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCC(C)C)CCOC1 1696098840 WEZGTVYSKQBIIN-YLJYHZDGSA-N 407.515 1.722 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccc(C(F)(F)F)n1 1696341938 KXFDGQXHLWEQSQ-GFCCVEGCSA-N 411.388 1.595 30 10 HDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)cc(OC)c1OC 1697255900 DLQRSIRJPFBRMY-AWEZNQCLSA-N 415.450 1.225 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)c1 1697523510 YVUUOBVQEXHZJF-QGZVFWFLSA-N 403.508 1.798 30 10 HDEE C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1698439964 GBTYZAULOXBFKF-RNHPBGAISA-N 402.499 1.309 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1CCN(CCN(C)C)CC1 1705497651 FOOWKLMTAHQGOD-LJQANCHMSA-N 409.582 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1C 1705577330 XXCKGMCWMYWTII-HKUYNNGSSA-N 416.489 1.666 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN1CCOC[C@H]1C 1705584716 VEVQUGXPTNEHOG-LJQANCHMSA-N 407.518 1.671 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnn(C)n1 1705870238 DGTCXLWSXPUCKQ-UHFFFAOYSA-N 414.495 1.099 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705930319 KTOLTCGIIBVZCM-ZFWWWQNUSA-N 424.527 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCS(=O)CC1 1705932577 HDNUBSNZCJYEAG-UHFFFAOYSA-N 408.549 1.423 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1Cl 1711843610 HEBIJUYOSHFUEC-DZGCQCFKSA-N 416.869 1.668 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1712053628 HPVPKESIYVSCOC-SFHVURJKSA-N 424.505 1.714 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722325494 LYKQUFBQDOCHIY-GOSISDBHSA-N 413.478 1.327 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1722341880 FOAKADASQLRYBK-JKSUJKDBSA-N 416.551 1.409 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1722350313 UVDLMTDZBVNAIL-UHFFFAOYSA-N 417.521 1.412 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1722466865 HIHONBIIQKLRKB-ZRGWGRIASA-N 409.556 1.696 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722617717 LVLRLUJDCLDXSK-ROUUACIJSA-N 416.570 1.927 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1)C1CC1 1722650511 CROZXSJQDXZUFM-MRXNPFEDSA-N 423.583 1.446 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCOCC1 1730845839 XMLOGHTVEFIRSX-YJBOKZPZSA-N 411.478 1.376 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1733273417 NMYOAVWFSKFSDZ-BHQCHZOVSA-N 400.523 1.237 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C[C@@](C)(O)C2CC2)CC1 1739626121 GHOOXRKVNPDSRA-LHQQFIGISA-N 400.519 1.414 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1740563704 VQXPFGIQDHQXHT-CTDOOQEKSA-N 417.554 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1740602313 JFSBMTAMEOVIAT-UHFFFAOYSA-N 405.405 1.475 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1740623650 YKUZBUNQASWBGZ-HOTGVXAUSA-N 405.524 1.212 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)Cc1cccc(F)c1 1740660708 ADWYASILKLCSSG-UHFFFAOYSA-N 414.485 1.374 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1740668232 IAFFOPUDXKOWCJ-HNNXBMFYSA-N 413.478 1.763 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740749680 BTNFACONNNHMFK-LHHMISFZSA-N 416.526 1.112 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1740768062 FBPOMUWJSIEQSY-FQEVSTJZSA-N 407.515 1.191 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Nc2cccnn2)CC1 1740966336 SDQYHYDNIQCGGE-MRXNPFEDSA-N 412.498 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC2(CCOCC2)C1 1740992895 VLAVOGWXSBXPQT-MRXNPFEDSA-N 410.540 1.390 30 10 HDEE CCCN(CCC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1745635517 KLQTYTLNQSKVHK-HTXNQAPBSA-N 412.498 1.831 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(C)cn2)CCOC1 1746698953 GGFHNEGKZCOINK-OALUTQOASA-N 403.462 1.577 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C#N)c1 1748297574 UHHPHVLSSUISOE-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748747424 HQXNQEWITVDDMG-STQMWFEESA-N 412.416 1.147 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@](C)(O)C1CC1 1748794836 NENNOOWQHDVQDE-XMMPIXPASA-N 422.577 1.873 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748817577 MSMUVXCHUDDDFA-ZWKOTPCHSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC=CCO1 1748835847 KHNGNGMSJUVFON-IBGZPJMESA-N 400.446 1.339 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1749051855 OIBLJNGBNANIIU-GCKMJXCFSA-N 410.478 1.457 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749189189 BUHOKHBQDXUCHF-INIZCTEOSA-N 417.514 1.947 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1749223681 XEFCPPVYJQNHBR-QGZVFWFLSA-N 403.531 1.428 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749342337 YPYOQEWVPVMCLT-LPHOPBHVSA-N 410.540 1.472 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749626118 PWPGRMJGUOBKAM-AWEZNQCLSA-N 400.508 1.748 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749677299 VHCAJZGZTGOQLV-JOCHJYFZSA-N 408.506 1.082 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCC2)C1 1749713139 PHGFMWSDLQRJEC-SJORKVTESA-N 423.583 1.446 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1sc(C)nc1C 1749832320 DBLIQYJZJXJKHB-UHFFFAOYSA-N 417.539 1.889 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCC2)CCO1 1750389193 XCDHMRAHMOWTIS-QGZVFWFLSA-N 402.499 1.479 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1760099548 IIDRABWAMKNWNS-OXJNMPFZSA-N 424.567 1.744 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1760117924 VUYAVYCCQDZRTL-WBVHZDCISA-N 417.535 1.870 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760151583 HKVUJJGTPJUHHB-QGZVFWFLSA-N 417.539 1.096 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1760214530 SEEFBWJUIFBAIY-UHFFFAOYSA-N 409.453 1.822 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCS(C)(=O)=O 1760290649 LWVKMMUBCKTOPW-WOJBJXKFSA-N 424.567 1.746 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1760305428 FWIHGWKXFBWOBV-STQMWFEESA-N 409.288 1.884 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)[C@H]1CC 1760326056 VHFJNBSTSWXVCW-NSHGMRRFSA-N 410.522 1.960 30 10 HDEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1760416517 GGSBLHIHVIQVLK-RBUKOAKNSA-N 422.533 1.908 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1760456797 XQJLARIAMFLSLI-OAHLLOKOSA-N 417.539 1.951 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCSC1 1760503159 BCSAUMXUUDSJEH-LJQANCHMSA-N 421.523 1.513 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCCC1 1760517083 BRQLPLDFGNCWKI-UHFFFAOYSA-N 401.467 1.873 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2ccnn2)CC1 1760524219 RYOJBQOXXUGECK-KRWDZBQOSA-N 414.514 1.330 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760540409 IGVMAGJYBQUGIG-HZPDHXFCSA-N 403.508 1.556 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCNS(=O)(=O)c2ccccc2)C1 1760544614 CRQWIMKQTVOEGZ-QGZVFWFLSA-N 417.535 1.915 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1760698842 QIWJPABITQPGSK-OAHLLOKOSA-N 401.515 1.303 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCCNS(C)(=O)=O)C1 1761545404 UPPBMPUOFSBEJC-IBGZPJMESA-N 417.539 1.333 30 10 HDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1768041479 DOTKGEKIGLTYEY-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE CO[C@@](C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CC1 1769540259 HXYPGDPSJRXIGK-KXBFYZLASA-N 407.540 1.735 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1770788774 PWTVHUBCVIKTPR-KRWDZBQOSA-N 423.452 1.458 30 10 HDEE O=C(CCC(=O)N1CCN(c2ccccn2)CC1)ON1C(=O)c2ccccc2C1=O 1772789703 DJHQPKWNKCHFQV-UHFFFAOYSA-N 408.414 1.265 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1772790967 ZENBJXGZRIQTKX-UHFFFAOYSA-N 416.411 1.076 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1772846647 KCNOAHNSKBANHW-SFHVURJKSA-N 424.505 1.870 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1849993087 XKNPGZVXDUKXCW-UHFFFAOYSA-N 417.469 1.972 30 10 HDEE N#Cc1ccc(N2C[C@@H](OCC(=O)CCCN3C(=O)c4ccccc4C3=O)CO2)nc1 1851529074 XRAJZLLOQRLCFV-QGZVFWFLSA-N 420.425 1.736 30 10 HDEE Cc1[nH][nH]c(=NC(=O)c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)c1C#N 1851793822 XIGNZSDTYMTJNT-UHFFFAOYSA-N 406.490 1.964 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CC(S(=O)(=O)c2ccc(F)cc2)C1 1852141673 FXKMKAUNXUJRFH-UHFFFAOYSA-N 404.419 1.769 30 10 HDEE CS(=O)(=O)N1CCN(c2cccc(OCC(=O)Nc3cccc(C#N)c3)c2)CC1 1852171622 UYSZFMCBWWUQIY-UHFFFAOYSA-N 414.487 1.657 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)COc2cnc3ccccc3n2)CC1 1852189902 CPRKYKNXTHQOSI-UHFFFAOYSA-N 418.457 1.641 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)N2CCS(=O)(=O)CC2)CC1 1852735302 OIKHUUALYLROGN-UHFFFAOYSA-N 416.478 1.719 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)c3nccc(-c4ccccc4)c3C#N)C2)c1=O 1852776038 RQEHQKAEHLGPCK-QGZVFWFLSA-N 415.453 1.958 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1852895521 FWTXTGICQITTIC-CQSZACIVSA-N 400.501 1.312 30 10 HDEE C=CCN(Cc1cnnn1C)C(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1 1853579510 YUSXELAHWFUGPK-UHFFFAOYSA-N 412.523 1.548 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(CC4CCOCC4)C3)CC2=O)cc1 1853664777 DNEQJYJVGJECCQ-OAQYLSRUSA-N 410.518 1.272 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1 1853940502 VGMBRXISXVHJPI-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3F)CC2=O)cc1 1853942365 QWADNLDILPHCHQ-UHFFFAOYSA-N 415.446 1.441 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(C[C@H]3CCC(=O)N3C)c3ccccc32)CC1=O 1854057459 QGKBKSFIQZDPEO-HZPDHXFCSA-N 410.474 1.022 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(OC)cc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854184609 AMXSJYMBAWKDNC-SJORKVTESA-N 401.463 1.164 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855626566 LZAOFNWYBVWCAC-MRXNPFEDSA-N 419.503 1.775 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1=O 1855823919 DCIBESHISRYLDS-SJLPKXTDSA-N 409.552 1.359 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1856458216 FMLMYCBHMQIDLF-IAGOWNOFSA-N 411.849 1.896 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1856509611 CUSIFERQVKWVAV-PKOBYXMFSA-N 401.511 1.878 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN([C@@H](C)CCC#N)C(C)(C)C2=O)cc1 1856769199 XTWHCZHTUHMDGA-INIZCTEOSA-N 405.520 1.910 30 10 HDEE COC1CCN(C2CN(C[C@@H]3CC(=O)N(C(=O)c4ccc(C)c(C#N)c4)C3)C2)CC1 1856984552 VLLZDMJQHOPHNF-KRWDZBQOSA-N 410.518 1.650 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCC(F)(F)C3)C2)CC1 1857062762 PHFRBYXCIMQTGP-KGLIPLIRSA-N 403.451 1.362 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1857483627 VDIQVGQGNACUPA-BBRMVZONSA-N 402.520 1.404 30 10 HDEE CC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccc(C#N)cc3)c3ccccn23)CC1 1858242393 YWVGQPVQYJGIIM-UHFFFAOYSA-N 416.441 1.763 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)NCCCNC(C)=O)cc1 1860733700 PQRWPSUFDOWDBA-FMIVXFBMSA-N 403.479 1.159 30 10 HDEE CCOc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 1860734057 HIUIFFUGPCVSMV-KPKJPENVSA-N 402.472 1.674 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 1861205035 YGQCFCWKCHYDDS-AEFFLSMTSA-N 420.941 1.605 30 10 HDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861609331 PTDIBYDGZWKORE-LHSJRXKWSA-N 401.463 1.413 30 10 HDEE Cc1cc(C(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)nn1-c1ccccc1F 1867172749 HXSVGPCXUXVCPD-GOSISDBHSA-N 407.405 1.921 30 10 HDEE C=CCOc1cn(CCc2cnc[nH]2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870385111 ISUITJBWVCNFII-UHFFFAOYSA-N 400.479 1.718 30 10 HDEE C=CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870810495 FOBWMKMVCFYVNJ-QGZVFWFLSA-N 419.503 1.852 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(O)c1 1874431363 QGAGJGNWGMLNRX-AWQFTUOYSA-N 420.495 1.168 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889007152 AOKWUOPNVIGLJV-UXHICEINSA-N 400.548 1.691 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1891255444 JKEYRHHJWYPPEP-AWEZNQCLSA-N 423.498 1.573 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1895876613 WPKFATSGCIPCHU-MRLBHPIUSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](N=c2[nH]c(Cl)c(C#N)s2)[C@H](S(C)(=O)=O)C1 2072516895 GYEWNCJCAXNRKR-WCBMZHEXSA-N 406.917 1.534 30 10 HDEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(C#N)CC1 2174784934 SVOXVHJSDBPSQX-OAHLLOKOSA-N 402.517 1.034 30 10 HDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)C[C@H](C#N)C(C)C)C1 2174788018 AATZJDNJBYDTKE-POZPTJLLSA-N 403.501 1.300 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221675563 BSFFFBNACRWEEE-GJZGRUSLSA-N 411.296 1.995 30 10 HDEE CN([C@@H]1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1)S(C)(=O)=O 2235429949 SJHWHKVOUQEOLV-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243677128 RIEIXJHQQZWCRL-GJZGRUSLSA-N 408.304 1.619 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247833513 HNKFQMOXTIJJEN-CQSZACIVSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247864859 MFZGGGPXYBHIDN-FQEVSTJZSA-N 424.303 1.584 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258182430 BHIWHGRBBOKKET-NVXWUHKLSA-N 408.476 1.431 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1C#N 2258198684 FRNRTODIVVZQFU-ZBEGNZNMSA-N 415.393 1.574 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C)C[C@H]1C 2282320530 JTYQGKSZTQGAQD-GFCCVEGCSA-N 400.375 1.680 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N(C)C 2282330089 VGOFLPGOXXSSFJ-QWHCGFSZSA-N 400.375 1.618 30 10 HDEE C[C@H]1OCCO[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334054 WPZUHCRYMOQONS-VXGBXAGGSA-N 403.331 1.130 30 10 HDEE CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341367 RIUABWASYXHOQW-UHFFFAOYSA-N 402.391 1.913 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](C)C1CCS(=O)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2282488918 CKGURLDFNWWVHX-ZDUSSCGKSA-N 407.363 1.307 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CCCN3)ccc2Cl)OC1(C)C 2282500817 OAPOAWLXNYIVKM-GFCCVEGCSA-N 400.737 1.670 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H]1O 2282828078 IGZNEFDKOLHHQG-SMDDNHRTSA-N 401.721 1.641 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](O)C1 2282829207 BICIPQQFMUJUCZ-CHWSQXEVSA-N 401.359 1.938 30 10 HDEE C[C@@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282848891 TYKZXEGRXWUAKQ-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE CN1CCC[C@@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282856578 VGDGAAKYZTVCRR-CQSZACIVSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCOC[C@@H]2CF)OC1(C)C 2282871065 AWZUHXZNJZGBOF-ZDUSSCGKSA-N 405.322 1.547 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCCC4(C3)OCCO4)c(O)cc2O)OC1(C)C 2282987010 XYNZTWYOHVEFHQ-UHFFFAOYSA-N 405.256 1.376 30 10 HDEE C[C@@H](CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284414316 GKJYFTGPRCKECG-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC(C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284416708 BBZOQHPRLJGBBS-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2300223617 AWTJKGHFKMQBLK-QWHCGFSZSA-N 420.319 1.362 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2364274180 ORMUIQKVHPDSMX-KRTXAFLBSA-N 404.062 1.700 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCC[C@H]1NC(=O)OC(C)(C)C 2365213112 VDGMPAXKAKSZHA-SPYBWZPUSA-N 402.557 1.599 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367784619 BVNAJRPCNGTBFU-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367784624 BVNAJRPCNGTBFU-OWCLPIDISA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 2367790030 FTIBNROSPBPHKO-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(C)CCNC(=O)OC(C)(C)C 2367797581 NHUFVWCGOGZAGY-INIZCTEOSA-N 401.573 1.392 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367811346 HFBANHYVKHLRTE-RLFYNMQTSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H](CC)CNC(=O)OC(C)(C)C 2367826149 VWNZEKQEPKSMOZ-XHSDSOJGSA-N 402.557 1.457 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)[C@H](CC)NC(=O)OC(C)(C)C 2372803639 IABZVGUVIVSZTC-GLJUWKHASA-N 404.529 1.808 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 409539249 YPAILAVTUUPEHG-UHFFFAOYSA-N 416.425 1.186 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2csc(CNC(=O)c3ccccc3)n2)CC1 430046663 ORCNVNYVEPRRDY-UHFFFAOYSA-N 413.547 1.493 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 434315903 KKKJMNUCMYUYEE-GOEBONIOSA-N 404.410 1.635 30 10 HDEE COc1ccc2c(c1)nc(CNC(=O)N1CCN(c3ncccc3C#N)CC1)n2C 472890574 WZAMEBQRAXPODH-UHFFFAOYSA-N 405.462 1.880 30 10 HDEE COc1ccc(C(=O)Nc2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 477421013 HYTBNIODEYZCTE-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 478419916 VOJJRRFBLURNCT-LIRRHRJNSA-N 407.492 1.022 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cnc(C(F)(F)F)c(C#N)c1 486504324 LYTUDHVUUYYLDN-LPWJVIDDSA-N 411.336 1.537 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)cc1C#N 489115986 WLZKDSCLPWJZMO-KBPBESRZSA-N 401.492 1.749 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 504724557 HMLRJTRDIHUNET-LSDHHAIUSA-N 410.496 1.423 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CNC(C)=O)C1 508818315 SBTLLCQTWNCLFC-MRXNPFEDSA-N 401.467 1.490 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508868119 SYZWETDJVMVZTC-UHFFFAOYSA-N 421.505 1.506 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccc(C)cn3)c2=O)cn1 531629956 XJXBMHDUPYAPMW-UHFFFAOYSA-N 419.510 1.691 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cc([N+](=O)[O-])cc(Br)c2=O)nc1 561683998 UBMJZKNIHVJSAD-UHFFFAOYSA-N 413.209 1.260 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CN1CCC(C(=O)Nc2cccc(C#N)c2)CC1 567317977 OICMLRNRBYQHDR-UHFFFAOYSA-N 416.507 1.260 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(F)c2)c(=O)n1-c1ccccc1C 590943498 ZSQPSDYXDSOFTO-UHFFFAOYSA-N 423.469 1.604 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCCC)c(OC)c2)CC1 604168025 KGXVOBPXQNXYSM-UHFFFAOYSA-N 404.511 1.613 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 609639895 RRKYUCTXBHZBTD-UHFFFAOYSA-N 401.486 1.783 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1c1cccnc1 609841233 IUAQWRRKHXBCFG-KKSFZXQISA-N 407.449 1.961 30 10 HDEE COC(=O)c1c(CC(=O)N2CCN(c3ncccc3C#N)CC2)[nH]c(C(C)=O)c1C 619107114 YGNMBEOHDDRCAV-UHFFFAOYSA-N 409.446 1.470 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCn2nccc21 727105288 OFHWBWPTEPOMPL-UHFFFAOYSA-N 401.492 1.919 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 729330577 BJBGDBCEMLNYSF-OAHLLOKOSA-N 412.533 1.026 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 732031104 HQKKIOQSSXHGSL-OAHLLOKOSA-N 420.491 1.469 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 732072738 AGXDUUFVXGSZTL-LJQANCHMSA-N 407.474 1.433 30 10 HDEE Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(OCC(=O)N(C)C)c1 732425012 AYXPNTQAERACHG-VHEBQXMUSA-N 415.450 1.110 30 10 HDEE COc1cccc(-n2c(C)nnc2SCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732651155 XTMQNGNCBGKQQH-KRWDZBQOSA-N 412.519 1.875 30 10 HDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)s1 736586858 JDWIAXHGVZPBDD-CQSZACIVSA-N 417.556 1.890 30 10 HDEE CN1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCC1=O 738908268 YXEBDZWLDMOQEB-IKBYJFNHSA-N 407.496 1.242 30 10 HDEE CC(C)N1[C@H]2CC[C@H]1CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 744749858 XLVZNQMYMGVUDD-HOTGVXAUSA-N 404.536 1.589 30 10 HDEE COC(=O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 749385845 RQSKZIYDGRODNZ-GOSISDBHSA-N 415.471 1.536 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCOC2)C1=O 751669636 VPOIJUXNYUTIGF-JKSUJKDBSA-N 408.499 1.614 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)NCc1ccc(CN2CCOCC2)cc1 751734237 QTXFOWYXGGHFCY-INIZCTEOSA-N 410.474 1.591 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 756202945 LLJNFPUOGORBLU-UHFFFAOYSA-N 423.404 1.682 30 10 HDEE CNC(=O)c1cccc(OCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 759329541 IMSPWNLSWYCUJW-UHFFFAOYSA-N 408.458 1.896 30 10 HDEE N#CCOc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 770855679 RGQFPFTWBNLZQS-UHFFFAOYSA-N 417.443 1.568 30 10 HDEE C#CCN(C(=O)Nc1ccccc1CN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 774040305 RGRWTFPQUHMOMQ-QGZVFWFLSA-N 407.561 1.890 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 776194626 ABYJYRZJBOPNTR-ROUUACIJSA-N 404.467 1.481 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c(C)s1 780914101 FLPSLVKXFKKZSA-SFHVURJKSA-N 419.528 1.803 30 10 HDEE Cc1sc(=O)n(CCC(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1C 787053799 SNCWRQRWSYXXLS-OAHLLOKOSA-N 402.432 1.850 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2ccccc2Cl)n1 788858929 MSYXLNGXWCPDBT-UHFFFAOYSA-N 417.897 1.758 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC(=O)c1cnccn1 791569469 BYGNUYXJKUOVNY-CQSZACIVSA-N 416.459 1.500 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCF)C1=O 797816408 OFEOXIRGHLOUKZ-OAHLLOKOSA-N 410.471 1.384 30 10 HDEE CC(C)c1ccc(CN2CCN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 798742534 PGBAXDBZSRFRTK-QGZVFWFLSA-N 424.505 1.722 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)CCN1C1CC1 800605120 AAFSZIYPMNOWHB-CYBMUJFWSA-N 414.359 1.904 30 10 HDEE C=CCSc1ccccc1NC(=O)COC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O 807648258 IYVCBVCFZKZTNN-KTKRTIGZSA-N 415.471 1.557 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)OCc1cc(O)n2ncc(C#N)c2n1)C(F)(F)F 811423641 UINQDPBXVFHNQW-LLVKDONJSA-N 415.328 1.805 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)C[C@H]21 815707586 HANNKBYOLAUCAJ-VQFNDLOPSA-N 406.398 1.561 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(F)(c2ccccn2)CC1 816555609 KLSJCFMMVIAZEE-UHFFFAOYSA-N 416.478 1.998 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)s1 917771065 MAYMNEAOKWXSCC-UHFFFAOYSA-N 422.535 1.754 30 10 HDEE CC1(C)CC(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C(=O)C1 920980179 ASEIUAJQJCHSHQ-UHFFFAOYSA-N 408.476 1.667 30 10 HDEE COc1ccccc1CNC(=O)CSc1n[nH]c(NN=Cc2cn(C)nc2C)n1 1083945505 JANFFOWRVVOLSI-UHFFFAOYSA-N 414.495 1.710 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1C#N 1124147397 DEXIINLDIRRIJY-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE COCCCN(C(=O)c1ccc(C#N)cc1F)c1c(O)nc(=O)n(CC(C)C)c1N 1124159307 JZGFSWXPTFLFQQ-UHFFFAOYSA-N 417.441 1.881 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)c1 1125933284 ZVHZUXYYCFBVDE-UHFFFAOYSA-N 403.504 1.886 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N3CCOC[C@@H]3C)c(Cl)c2)C1=O 1131726190 YUNLUKOMEZJRHL-LBPRGKRZSA-N 420.853 1.480 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)nnc1-c1ccco1 1136874850 UTOZBHXHWUXSTR-CVEARBPZSA-N 418.567 1.957 30 10 HDEE Cc1[nH]nc(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1I 1137591819 MBQVSGVCPROBLD-UHFFFAOYSA-N 413.223 1.205 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1138108219 KOAZQDPOPOYNKS-GOEBONIOSA-N 403.483 1.803 30 10 HDEE C=CCC[C@H](NC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC 1140930250 QKAYTJDMGOGENA-SUMWQHHRSA-N 404.385 1.632 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cc1ccccc1)c1ncco1)c1cc[nH]n1 1143410732 ZISBBUVYOCOHDA-INIZCTEOSA-N 411.418 1.782 30 10 HDEE C[C@@H]1NC(=O)[C@@H](C)N(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H]1C 1144384567 FRSDZPNXPFISIA-QJPTWQEYSA-N 405.296 1.881 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCCC[C@@H]1S(C)(=O)=O 1147802298 LZLOKRCUGCUECR-CVEARBPZSA-N 416.496 1.551 30 10 HDEE CSc1nc(O)c(C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1C#N 1148078584 IKSLZZPZRJWIBL-UHFFFAOYSA-N 410.502 1.288 30 10 HDEE N#C[C@@H](CO)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1157964211 UHLXFMGCSGDIIC-KRWDZBQOSA-N 418.497 1.681 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1158215357 BRJWFPZCYCDRLO-UHFFFAOYSA-N 415.519 1.977 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1161873869 CQLGOCAKTAFKQU-UHFFFAOYSA-N 407.474 1.595 30 10 HDEE N#Cc1c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@@H]32)sc2c1CCCCC2 1175609620 AZBAAXJMRAEOGR-CRAIPNDOSA-N 402.520 1.807 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](C3OCCO3)C2)CC1 1176209577 GUQFFKKTUJNXGR-MJGOQNOKSA-N 402.470 1.229 30 10 HDEE O=C([C@@H]1CC(=O)N(Cc2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272676 KIGPIOAMUNIUFU-QGZVFWFLSA-N 421.453 1.939 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(C#N)c1=O 1187783793 VIRJWYXXSPOWBW-BQBZGAKWSA-N 418.244 1.552 30 10 HDEE C[C@H]1[C@@H](C)N(C)C(=O)[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1195534443 DEKVJEONQXAROV-AXVVYFOYSA-N 415.513 1.474 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CCC(=O)Nc1ccc(C#N)c(Cl)c1)C2 1198572985 KNLUAJCAAPXVJQ-MRXNPFEDSA-N 415.885 1.413 30 10 HDEE C=CCn1cc(CNC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)nn1 1229814257 XVNSQNKRFYSZJG-UHFFFAOYSA-N 411.491 1.850 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCN1C1CC1 1255510649 WVGZQNCPNHWCPF-HXUWFJFHSA-N 410.522 1.270 30 10 HDEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cnn1CCC#N 1264617961 JZGKHMBCVGDZDA-UHFFFAOYSA-N 401.492 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1286277508 DKRMHUNQHBXYFY-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1286294794 XKGMSQYDOQYWEH-PBHICJAKSA-N 408.462 1.692 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)CC 1286366702 BUZHVLFGJYFNFY-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286388318 NIXVUUDFAJGUDU-AEFFLSMTSA-N 402.520 1.854 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1286460698 QJJLVPUQJONWTK-UHFFFAOYSA-N 418.461 1.114 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCCC2=O)C1 1286809775 LCYQQOVNUKZZJO-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)N(C)C 1287468565 GWPKQABLNSMWQY-UHFFFAOYSA-N 424.553 1.938 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)CC1 1288986636 WOXNHCRBHOKZPI-JKSUJKDBSA-N 402.499 1.555 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)N2CCOCC2)cs1 1290388771 XJVQQWCNIJOSKI-HUUCEWRRSA-N 403.556 1.950 30 10 HDEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1291077403 ASNKHPGYTCIDQC-YWZLYKJASA-N 417.535 1.849 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1 1291999438 NBCLZVBQHJJOLW-UHFFFAOYSA-N 419.524 1.828 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 1295143848 CUCCPDKTUDRZHJ-CVDCTZTESA-N 422.533 1.793 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(N(C)C)n[nH]2)CC1 1297786753 DWFYWYONKYYIKL-OAHLLOKOSA-N 404.515 1.883 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(Cc1ccnn1C)C1CC1 1297998689 KVTQZNNZEMSHPN-UHFFFAOYSA-N 404.478 1.807 30 10 HDEE CN1C[C@](C)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1298877055 LBKGDQHEOCOWRO-LAUBAEHRSA-N 410.478 1.107 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1299075351 SEPJXSRFIVVYRV-GOSISDBHSA-N 409.494 1.305 30 10 HDEE C#CC[C@@H](NC(=O)CCOc1ccccc1I)C(=O)OC 1299179204 UHZVGXIHCVALME-GFCCVEGCSA-N 401.200 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1300268791 VWIFUTVTUXJLGF-KRWDZBQOSA-N 408.506 1.631 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1300393159 SIDXKPFJBITSMD-SFHVURJKSA-N 403.460 1.546 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300489618 QHCRHHCQIUTTDU-BHIYHBOVSA-N 414.531 1.997 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1300631101 LFUKVTIVLCFDMY-UWJYYQICSA-N 414.531 1.474 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1300895318 PDKQVTSPIKYKJL-MRXNPFEDSA-N 409.556 1.884 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1300996379 FTQSBRHKJXSJJG-KRWDZBQOSA-N 416.526 1.194 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC(=O)N1 1301414474 DRWMYJPTEZKKEG-OAHLLOKOSA-N 400.439 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1301499099 XIKDIQZMJVWJMD-UHFFFAOYSA-N 418.461 1.636 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCC2)C1 1301507317 ZJWMIQFLXAKELK-IBGZPJMESA-N 409.538 1.631 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@H]2CCOC2)C1 1301539104 NSFMCICLMDMWNW-HRCADAONSA-N 413.544 1.096 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1301968784 PRRHHTSLFWBLPC-FNXXIHLHSA-N 410.478 1.865 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1301969602 ZGTKPGDTXNTBDQ-BZUAXINKSA-N 410.544 1.192 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@H]1C 1305153557 DBDNAAAFNAZAAK-HUUCEWRRSA-N 402.524 1.848 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2ccc(Br)c(F)c2F)c(=O)n1CCO 1307388467 IKAYDDXVRVNVMX-UHFFFAOYSA-N 400.179 1.271 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1308127477 AUGHVRLBGWFXSX-BBTUJRGHSA-N 414.531 1.809 30 10 HDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2)c1 1309634936 BQBIXFCJHANGGA-UHFFFAOYSA-N 424.526 1.787 30 10 HDEE CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1313538642 DPZIFEDGGKVTDN-KLHDSHLOSA-N 410.544 1.710 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1315608267 FTIJJXUYRWLWSB-OAHLLOKOSA-N 412.494 1.987 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1316488763 ACJVKAIKGLNSNU-KCNZHOAASA-N 418.473 1.840 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 1323715036 IBPDMXHTMLSYCQ-HNNXBMFYSA-N 413.927 1.939 30 10 HDEE C=CCO[C@H]1CCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1323728914 MZXUXOZVMPNMNQ-OALUTQOASA-N 421.563 1.493 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)C[C@H](C)[C@H]2C(=O)N2CC[C@@H](OCC=C)C2)C1 1344129044 GRCSHTKSVYLYTH-OUJGAGHGSA-N 418.534 1.825 30 10 HDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC)[C@H]1CCS(=O)(=O)C1 1358959380 HSBJZXHJHWBCJE-HNNXBMFYSA-N 402.476 1.711 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)[C@@H](C)CC)CC1 1359038099 KNVHUWMVXKAFSU-ZWKOTPCHSA-N 402.543 1.217 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1359226601 IUSUIWAFEZJUGJ-HOTGVXAUSA-N 404.471 1.644 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1359287518 HPOHIFIPPOXIMI-ZACQAIPSSA-N 409.556 1.814 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359297581 VHRXHYRVCBELAE-QVKFZJNVSA-N 415.469 1.771 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Cl)c1 1359298636 HLWMDCZNYSSELX-OAHLLOKOSA-N 402.886 1.821 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccco1 1359331969 LNKJQTAQZBFWMR-KBPBESRZSA-N 407.496 1.620 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1359466286 XRWABLZDGVTTNL-HZPDHXFCSA-N 410.478 1.950 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1436252481 YRGITVXWXIMSBY-SJORKVTESA-N 423.491 1.764 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@H]2CCCOC2)cc1 1439925192 VRQUPXZPNSYEAW-HNNXBMFYSA-N 403.464 1.679 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1441918200 UNUWQAHMZUNIJF-WBMJQRKESA-N 423.516 1.330 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 1452713085 LPNBCPRZLBZJGB-ZWKOTPCHSA-N 407.536 1.380 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)CC1 1453388799 ICEOPXRFVVYEMY-MNOVXSKESA-N 407.439 1.491 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)CCS2 1457001383 LKSPPPKMPXEBLQ-HGZQLJLBSA-N 407.492 1.237 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2c(C(=O)OC)cccc12 1462898352 TXKAGHOKBFADGR-AWEZNQCLSA-N 423.512 1.990 30 10 HDEE CC[C@H]1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1462998536 NRRFEQAROAFYRO-XLPNERPQSA-N 411.524 1.419 30 10 HDEE CCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2c(C(C)C)noc2n1 1462999840 SEVVFQIZEDLDGP-BUXKBTBVSA-N 402.476 1.919 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@H]2CCC[C@H]21 1463689225 BJTHKNOVVUAILS-OLZOCXBDSA-N 419.322 1.661 30 10 HDEE CC[C@H](C)[C@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)NCCN1CCOCC1 1464834297 JOVSTBASHUVGEM-YJBOKZPZSA-N 422.476 1.629 30 10 HDEE C=CC[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C(=O)OCC 1466783653 TZKUCFUMDOOGLK-UVPYHEFZSA-N 424.494 1.798 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OC)c(NC(N)=O)c2)s1 1467694420 UHJYLFXJWLXRPI-UHFFFAOYSA-N 424.504 1.893 30 10 HDEE Cc1nnnn1-c1ccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1467705347 BHNLNXDGGCSHML-IBGZPJMESA-N 401.430 1.373 30 10 HDEE C=C(C)CONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1469742513 ZHVGBCKRZDOUFO-CYBMUJFWSA-N 423.413 1.242 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1470286139 QYLBKVUHPFPILH-AWEZNQCLSA-N 400.485 1.534 30 10 HDEE C=CCc1cc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc(OC)c1OC 1470815652 IHCGXLGPNHQECO-GOSISDBHSA-N 422.547 1.767 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 1471832835 KGNULAYLMHYHEL-KLMKZAPQSA-N 408.502 1.004 30 10 HDEE CN1CCO[C@H](C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1472182063 HBIMTRJIMVHCLK-FXQIFTODSA-N 410.261 1.473 30 10 HDEE Cc1oc(NC(=O)[C@@H](C)N2CCC(NC(=O)N3CCOCC3)CC2)c(C#N)c1C 1473574885 CZVQVXJLAADHCL-CQSZACIVSA-N 403.483 1.601 30 10 HDEE C=C(C)[C@@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(F)c(F)c1 1478472033 KOLMBOOPWYEINU-CZUORRHYSA-N 403.451 1.542 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nc(C(F)(F)F)no3)C2=O)cc1 1478567128 GSLRXRJXVPDZNC-LBPRGKRZSA-N 408.340 1.560 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CCCO2)cn1 1479504379 QCCBOFAVFFVSSE-QFIPXVFZSA-N 408.506 1.825 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1495878107 HOUFHMKOTBPGJG-RDJZCZTQSA-N 415.494 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1507517118 ORVMWFUXJJJRGH-CHWSQXEVSA-N 406.512 1.261 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(OC)c1 1507572969 BGOVOXUGLHRRFD-HNNXBMFYSA-N 405.524 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1507668580 AAIOEEQHAWURBH-MRXNPFEDSA-N 418.469 1.970 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1507690994 ZGKWKPHCSJGLOG-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@H](C)C2)CC1 1507738593 RVHKKRCCSXZABQ-BQFCYCMXSA-N 412.538 1.631 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1508291502 HFYSZDVIVBJCFA-SJORKVTESA-N 411.466 1.303 30 10 HDEE CCOCc1nnc(N2CCN(CCOC(C)C)CC2)n1Cc1ccc(C#N)o1 1516600948 NJUUDQPEPGICSC-UHFFFAOYSA-N 402.499 1.875 30 10 HDEE Cn1ncc(CCCn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)n1 1517422015 GNRUAINRTMKDLL-HXUWFJFHSA-N 420.521 1.943 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1518766388 NKAKCRMVPQCOFR-IAGOWNOFSA-N 415.473 1.707 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1518959101 GZOFRCAVWPUFTI-FGZHOGPDSA-N 424.505 1.321 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1)[C@H]1CCS(=O)(=O)C1 1528599858 JGRPYLRIAYSEAU-YJBOKZPZSA-N 419.503 1.200 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1539201188 YCEBAORXLDESLI-ROUUACIJSA-N 405.543 1.307 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1539222547 WHTIJJSGXQHWQE-QAPCUYQASA-N 405.568 1.655 30 10 HDEE C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1(S(C)(=O)=O)CC1 1539851753 XHHVEGMQTBMDMA-YPMHNXCESA-N 409.895 1.646 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1541088413 HKAZEGFLDPSNAE-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE CC(C)(C)c1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1541150006 UQTGZRQHQGLIOE-UHFFFAOYSA-N 420.539 1.854 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1543118270 CUDABVOHNGMRAH-LJQANCHMSA-N 406.552 1.555 30 10 HDEE C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1544428691 WUIFGVJWYVINTD-MVZUJROASA-N 407.478 1.637 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1546600905 SOUGHVCUBUKPET-KMMVWKSPSA-N 424.509 1.830 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1546976846 NSXNKOGVPYLEDE-QGZVFWFLSA-N 424.571 1.931 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1557512549 NDXJPUMDUGDPLX-UHFFFAOYSA-N 424.523 1.784 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)C(=O)OC(C)(C)C)s1 1557905076 DQEOHJRNXRLYAO-UHFFFAOYSA-N 402.538 1.991 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCSc2ccc(OC)cc2)CC1 1558073002 IFKHBKHMQRQRSS-UHFFFAOYSA-N 411.549 1.179 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 1559899816 SFTVOPUTUIMQRN-KRWDZBQOSA-N 405.520 1.442 30 10 HDEE COC(=O)c1ccc(OC)c2c1CCN(CCS(=O)(=O)c1ccc(C#N)cn1)C2 1560116876 LWMGYJGGWALJKA-UHFFFAOYSA-N 415.471 1.580 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]([C@@H]2CCCO2)C1 1560165798 WAVZHMUALDQZDI-QRQLOZEOSA-N 406.504 1.765 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1569184066 ISUGKVDLEQLDQA-YCRPNKLZSA-N 417.462 1.476 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OCC 1569186405 BCBPMAKPCHOACE-SZMVWBNQSA-N 406.454 1.344 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(N2CCCS2(=O)=O)cc1C 1585594286 WOQNMWZDGWPXLI-UHFFFAOYSA-N 406.504 1.952 30 10 HDEE C[C@@H]1CN=C(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)S1 1586062985 BZBYZEUKCWWSQE-GFCCVEGCSA-N 410.496 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)c1 1587550873 USRHJWKXBHJHON-QGZVFWFLSA-N 410.522 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1587620765 JVVXYBPLYFWXLY-NYHFZMIOSA-N 422.489 1.284 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CCCOC 1587621215 PMHJXPKXMBOHBX-HNNXBMFYSA-N 402.499 1.432 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587985195 VMADTHSTDHOUHF-MJGOQNOKSA-N 410.522 1.910 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1588280116 GJESTBSADJFETD-UHFFFAOYSA-N 422.507 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1588751549 LYECGZRPPSEFRJ-SIKLNZKXSA-N 416.570 1.170 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCc2cccc(C(N)=O)c2)CC1 1588768544 GYECFFGKGZKQPW-UHFFFAOYSA-N 418.501 1.943 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C2CC2)N(C)C)CC1 1588791522 XXTLDUDKCZPSFN-OAQYLSRUSA-N 403.534 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589495963 UVRJCSIZBSPWFS-UVFQYZLESA-N 402.499 1.382 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)c1 1593726216 DWCVAHJFFRXBGJ-FQEVSTJZSA-N 415.471 1.111 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O)C1CC1 1595020503 HCSBYHFVCHSSIZ-BFUOFWGJSA-N 422.555 1.054 30 10 HDEE C=CCn1c(N2CCN(CC3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1595453218 OKISHMYCAATHDJ-NRFANRHFSA-N 405.543 1.665 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H]1CCOC1 1595497100 PXYPXSXMLHCBSB-OAHLLOKOSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)=C(Br)C1 1595536825 GUOTWIJFYZMQKR-ZDUSSCGKSA-N 423.315 1.410 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)C[C@@H]1COc2ccccc2O1 1595805886 XHSVLOOZAQVWFY-OAHLLOKOSA-N 406.508 1.718 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1596429256 CWONBYDYWCJAEU-GOSISDBHSA-N 409.494 1.446 30 10 HDEE C#CCN1CCC(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 1596610317 PHZBNVKBDKKLDY-UHFFFAOYSA-N 413.337 1.578 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@](C)(Cn3cccn3)C(=O)OC)n[nH]2)c1C 1603597433 VOHHSFJMBCCSFU-HXUWFJFHSA-N 411.466 1.634 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NCCN3Cc4ccccc4OCC3=O)n2)c1 1611581487 GNESGHCWRVTKHC-UHFFFAOYSA-N 401.426 1.895 30 10 HDEE Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612613785 YOPANVQYFYNLIU-MKSIGINJSA-N 422.489 1.561 30 10 HDEE CN(C)C(=O)CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1617581393 FETFXOJFHQWTQQ-UHFFFAOYSA-N 424.509 1.924 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1617824351 XLRNSQOSKVFSSN-DOXHGZAWSA-N 415.498 1.238 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CCO1 1617894228 CYTUAHLMEKLWQL-KRWDZBQOSA-N 423.399 1.501 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)CCS2(=O)=O 1618581005 KJUQGOCWBALNFI-JWBFORJRSA-N 420.487 1.341 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1620358753 DFZZANHRMAUXJR-IRXDYDNUSA-N 407.540 1.737 30 10 HDEE Cn1cnnc1CC1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1620595539 CUGSVCRFMGGFIO-UHFFFAOYSA-N 404.478 1.766 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@H](c3nc4c(s3)CCCC4)C2)c(=O)nc1O 1622348030 CMVYFIKJGAAXRY-ZDUSSCGKSA-N 413.503 1.952 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2nccn2C)C(F)(F)F)c1 1622691402 SXALKWWHEUVFJK-ZDUSSCGKSA-N 402.398 1.918 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N(CCC#N)CCOC)cc1F 1623172922 DFBPYXJJXOUREN-ZDUSSCGKSA-N 408.430 1.901 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1624172154 QNXICDRSFVJMQT-CHWSQXEVSA-N 409.936 1.563 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CP(=O)(OCC)OCC)cc1 1627541355 RZHRCACIKTUGBG-UHFFFAOYSA-N 402.409 1.894 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3cnnc3)cc2)s1 1632814734 KTPWXMPRJFMXKX-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C#CCSCCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1634051499 SGTWSDCVBRMVJO-UHFFFAOYSA-N 402.563 1.237 30 10 HDEE C#C[C@@H](NC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1)[C@@H]1CCCO1 1634469097 FKTUQLPWWJSUSX-CVEARBPZSA-N 401.417 1.853 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)n1 1634602091 VWAWJRDHLNIJDY-WMZOPIPTSA-N 422.526 1.355 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1635344014 DMCLFILSGCRESH-PBHICJAKSA-N 424.479 1.173 30 10 HDEE CN1CCC[C@@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1636015946 HOOHUNWVBDNFLI-SFHVURJKSA-N 419.551 1.306 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1636596751 QDXPYXGUUMEJEP-CABCVRRESA-N 403.545 1.776 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1636736513 OUZDSQYNRAISAW-UHFFFAOYSA-N 422.404 1.506 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CN2Cc3ccccc3C2=O)c(=O)c1C#N 1638640286 CLIGNTHTIKMJIV-UHFFFAOYSA-N 415.247 1.825 30 10 HDEE CC1CCC(NC(=O)CN2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)CC1 1638989820 GWBHPTYLNUZFSR-UHFFFAOYSA-N 405.543 1.329 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)cc1 1639591458 YRFIZTMEMRSBMJ-HNNXBMFYSA-N 419.231 1.966 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1 1640489171 IANODASYFDNMGM-JKSUJKDBSA-N 405.296 1.034 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCC#C[Si](C)(C)C)c1 1641159210 MHLDIFXJQBIIDD-UHFFFAOYSA-N 411.600 1.266 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)c1occc1COc1cccc(C#N)c1 1644141758 CGJUIWIKZULUCN-INIZCTEOSA-N 400.387 1.765 30 10 HDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)CCN2C(=O)c3ccccc3C2=O)c1=O 1644185387 PWGBJFQICBPRJY-UHFFFAOYSA-N 403.316 1.994 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 1644281683 IWZOMAVTAJYOCN-UHFFFAOYSA-N 411.527 1.820 30 10 HDEE O=C(CN1CCN(Cc2ccno2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1644305796 VDZWPTUYJHJPOR-UHFFFAOYSA-N 406.408 1.979 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1644843393 CRTLOARTAHQEIK-HNNXBMFYSA-N 400.435 1.469 30 10 HDEE C#Cc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 1648498430 GSBZOONSWFLFNU-SFHVURJKSA-N 420.512 1.388 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1648564892 CWHMXYUGLORSMF-UKRRQHHQSA-N 406.430 1.084 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCN(C)CC1 1652512627 VSNYCEOQMJWYEA-UHFFFAOYSA-N 417.453 1.540 30 10 HDEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)C[C@H](O)CC1(C#N)CCOCC1 1653221710 YXWWPHORYLROFD-QGZVFWFLSA-N 406.479 1.750 30 10 HDEE O=C(CCC1CCCC1)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811528 GUKJFBNUWZURPK-UHFFFAOYSA-N 401.463 1.977 30 10 HDEE C=CCn1cc(CNC[C@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)nn1 1658391339 KBDWWTQNLAVKKG-MRXNPFEDSA-N 403.531 1.979 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2c(Cl)nc3ccc(Br)cn23)CC1 1664544414 SIGIRHWWVXCWEP-UHFFFAOYSA-N 418.700 1.899 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)CSc2ccc(C)cc2)CC1 1671782659 SUDSRIDPLNUVLQ-INIZCTEOSA-N 410.565 1.270 30 10 HDEE COc1ncc(NC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C#N 1672970685 AQLQMVXWKUXHKD-UHFFFAOYSA-N 413.409 1.856 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1673499480 QWAURVFLCHBBIE-NSHDSACASA-N 401.282 1.675 30 10 HDEE C#CC1(O)CN(C(=O)NCc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)C1 1680201223 RTWFPNUINNRYDZ-UHFFFAOYSA-N 403.435 1.516 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1680450577 HAXGDIGFHUNWDW-LBPRGKRZSA-N 410.414 1.985 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCC(CS(C)(=O)=O)CC3)CC2)c1C#N 1682649928 FWTMQHIGNSRAER-UHFFFAOYSA-N 422.555 1.035 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCCCN2CCCS2(=O)=O)CC1 1683181402 LGNYKMUOGBOOMO-UHFFFAOYSA-N 405.524 1.252 30 10 HDEE C#CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOCC1 1689885274 CKNNPAAGESXFSZ-UHFFFAOYSA-N 402.524 1.878 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689885878 YLHFITBRRWVSSJ-UHFFFAOYSA-N 411.510 1.651 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1689990141 MCLFQIFPWDSDQM-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(C)COC2)CC1 1690135446 XQTZVLADVGSDLT-QZTJIDSGSA-N 401.555 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1690189932 GSTHAXBIGYFHKK-CRAIPNDOSA-N 409.556 1.576 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690310081 STDYUJRNEFKRGL-KRWDZBQOSA-N 409.556 1.753 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)COC)CC1 1690326889 GMZSMOZYSOSCOY-UHFFFAOYSA-N 412.922 1.244 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1690346589 XRTDHHJMXFSXRB-CQSZACIVSA-N 418.947 1.768 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](CC)C1 1690662183 TZFVMFBAQIPREY-ZDUSSCGKSA-N 423.315 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1690665425 CUYVIDXSANXKJT-HNNXBMFYSA-N 405.462 1.107 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@](C)(C(N)=O)C1 1690666997 NKRPPDCBXQATSI-IBGZPJMESA-N 402.886 1.602 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1692346639 KFXGWUVTTABJGE-GVDBMIGSSA-N 404.515 1.535 30 10 HDEE CCOC[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696361986 COVYWMJIXAVMDC-LZICOFPGSA-N 414.510 1.935 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1705566701 PNIQKASWQZSSED-GJZGRUSLSA-N 416.494 1.844 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705614910 ABWDMMXCRCIIBJ-FQEVSTJZSA-N 423.565 1.666 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cc[nH]n1 1705710801 RDSCIULRNQFDQA-UHFFFAOYSA-N 423.481 1.481 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1705732299 VAVMAMZFTIAFCR-UHFFFAOYSA-N 403.483 1.734 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1705734702 YIAWTIJJSJFHLQ-UHFFFAOYSA-N 402.499 1.347 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 1705780781 ZNDQOJLWQAXRQC-GFCCVEGCSA-N 400.405 1.310 30 10 HDEE C=CCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705815663 FOVSDLSAZKJTSR-OAHLLOKOSA-N 410.478 1.067 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](CC)C1 1705898235 FYORTYNNNGERCF-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705899040 GNHUSXBFZCERGS-RBUKOAKNSA-N 406.490 1.982 30 10 HDEE C[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1706798348 BXKXUTDRRIOOCS-WMZOPIPTSA-N 410.526 1.325 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1710117576 LDGBYPZXXYYHPD-GOSISDBHSA-N 407.482 1.899 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOCC2CCOCC2)cn1 1711247755 FDFSRPFSNPQTPI-HXUWFJFHSA-N 417.489 1.954 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1711750902 JYVTWVGZCODRRJ-AWEZNQCLSA-N 422.445 1.787 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722314632 BQWBLGDEAQNQML-SQNIBIBYSA-N 400.527 1.190 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1722376334 MNXGENQTDSLLFO-SFHVURJKSA-N 417.311 1.175 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1722383050 MPFDWTFDQMRKFK-SFHVURJKSA-N 412.515 1.504 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1722423790 PCNGAKCMNBUWQB-OAQYLSRUSA-N 416.478 1.200 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1 1722429772 VYVIFUPPWQORDI-QGZVFWFLSA-N 400.479 1.934 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1722446204 ATFAYZVWNMIPMJ-PMACEKPBSA-N 424.549 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1722697742 OHFMESSUQFQQQH-UHFFFAOYSA-N 423.481 1.287 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@@](C)=O)CC2)C1 1722719912 CDFZPMYOJSTRLR-CQGGRAHPSA-N 418.567 1.832 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CC2(CCOCC2)C1 1722863743 MIBLUWLRVBLZBH-GJZGRUSLSA-N 424.571 1.691 30 10 HDEE CC(C)=CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723044372 LJMIHMQAIOJFGG-WBVHZDCISA-N 421.571 1.421 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)N(C)Cc1ccccc1 1723823786 AMBBRQBDFINPHO-XLIONFOSSA-N 420.521 1.928 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C 1723864026 GIFRVAXBVPQJBJ-CVEARBPZSA-N 411.558 1.902 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCCCC1 1727606944 GEIQZVVTDKXIHK-INIZCTEOSA-N 410.526 1.912 30 10 HDEE COCCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1730669758 DMPDEQYSVCTYMJ-HNNXBMFYSA-N 418.523 1.815 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CCN1CCSCC1 1740614543 VJEQHSADHJHGGI-UHFFFAOYSA-N 401.536 1.984 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740625847 ILGANBQZJQUTHG-ULQDDVLXSA-N 424.592 1.900 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN(C)CC)c1 1740638254 GKHFEJWOIRIVBQ-FQEVSTJZSA-N 404.518 1.802 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1740673939 NJSPYGPJOJILHK-UHFFFAOYSA-N 404.515 1.775 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCSC1 1740678328 JNYMFKLLDOYMDT-HNNXBMFYSA-N 400.508 1.765 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](CC)OC 1740684525 UCCUSDRASIDWEN-MRXNPFEDSA-N 424.505 1.703 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@H](C)C2)CC1 1740696260 POHYXDYXQPXYBP-PMACEKPBSA-N 400.571 1.659 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCNC(=O)c2cc[nH]n2)CC1 1740825889 ZAQDEBJPDSQXIY-HNNXBMFYSA-N 403.487 1.312 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)COC(=O)N2 1740886254 AVXDKEAISIDFHH-UHFFFAOYSA-N 412.494 1.935 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1740932599 ROUFQLOJOMGXAU-WZQKQDCOSA-N 414.597 1.906 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(F)(F)F)CC1 1740951133 QFCVWFBKAJTQSE-UHFFFAOYSA-N 416.448 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nccs2)C1 1740959684 CMSBAXYMFJCQLO-ZIAGYGMSSA-N 404.496 1.119 30 10 HDEE C=CCSCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1741004754 LKIXPWOPOLGJTM-FCEWJHQRSA-N 410.540 1.799 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1741117016 SKZKZYVWVQVVOD-CEXWTWQISA-N 421.505 1.499 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1741130908 OXUWDNXRGYBKSX-CHWSQXEVSA-N 406.450 1.468 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748809299 RNULITVWYYQWKZ-KRWDZBQOSA-N 416.503 1.820 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1748820550 DQVVCHYFBFYZAL-INIZCTEOSA-N 419.551 1.217 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCN1CCCO[C@H](C)C1 1748958910 IGWDUDGBYDBLEW-LJQANCHMSA-N 412.538 1.927 30 10 HDEE COc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1749068557 BIKUQWUBIYFWPF-DNVCBOLYSA-N 419.482 1.679 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)OC)CC1 1749103376 UTUCUHIXCKGFGP-CYBMUJFWSA-N 414.304 1.969 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749127656 NPQLHJSZMWBBCW-PKOBYXMFSA-N 402.543 1.395 30 10 HDEE C=C(C)Cn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1749207670 PXUVBQYRNMUEQI-QFBILLFUSA-N 412.556 1.910 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)OC)CC1 1749235883 WSLVDPABMBAMNP-UHFFFAOYSA-N 417.514 1.621 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1749344024 YYZMPUYJOUVDSR-KRWDZBQOSA-N 409.494 1.655 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749427867 VSKASJQZVJZMNZ-CVEARBPZSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H]1C(C)C 1749667212 UJCPUZYKOTVKGT-OAHLLOKOSA-N 400.483 1.933 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1749760579 KAOGJTUOXRBVNR-UHFFFAOYSA-N 420.583 1.624 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1=O 1749873432 GJPSBSMKTFVZPX-LJQANCHMSA-N 424.505 1.537 30 10 HDEE CC(C)(O)CCn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750531444 FCHWOXUBMZDQTC-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1760132279 GOIXJPATSVSFMC-MRXNPFEDSA-N 415.519 1.464 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1760192582 KHUVQFRFMIYFGV-GOSISDBHSA-N 402.520 1.798 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C2OCCO2)c1 1760238057 GYJRYPUADGCTAK-UHFFFAOYSA-N 409.490 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@](C)(O)c1cc(C)oc1C 1760247698 LNVDWUFIXQZGGG-NRFANRHFSA-N 410.478 1.939 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cc(C)nn2C)CC1 1760255367 YPSOHCKRBXYZMT-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1760295037 MFLUTMMHVQKCIW-YLJYHZDGSA-N 416.551 1.837 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760361111 SDBCAITWICCLHC-IPMKNSEASA-N 405.543 1.879 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1cn(C2COC2)nn1 1761078635 YKVRURRHEFUWML-MRXNPFEDSA-N 414.514 1.759 30 10 HDEE Cc1n[nH]cc1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1761607292 FGUZFCIFLNDQBC-TZMCWYRMSA-N 408.532 1.149 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1762690885 ICGMWHUUPRSVHJ-CJNGLKHVSA-N 416.432 1.908 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)F)CC2)o1 1771533399 KDPLFBLRSVOVDJ-AWEZNQCLSA-N 405.409 1.129 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCO[C@@H]2CCOC2)CCO1 1771538362 BITSVEPRXPYTAK-IAGOWNOFSA-N 403.508 1.855 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc(C#N)nc2)CC1 1852729249 ANIWJCBLOWTMAS-HXUWFJFHSA-N 419.485 1.915 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854292253 UTXANNMCNAECOV-RDJZCZTQSA-N 419.913 1.020 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1C[C@@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854361899 LQFBMHJGXSAIJQ-MRXNPFEDSA-N 420.418 1.796 30 10 HDEE CCc1cc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)on1 1854434849 KJQRDSOCBGYPSH-LJQANCHMSA-N 407.474 1.668 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)C1 1854957522 XYDDUHKDZUFDHS-MAUKXSAKSA-N 404.461 1.945 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)C1 1855266195 IADDTCDBBOWERW-QGZVFWFLSA-N 409.490 1.621 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCCN(C(=O)CCCn3ncccc3=O)C1=O)CC2 1855408855 VGSBRVQLUBAREV-MSOLQXFVSA-N 411.506 1.557 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1855452546 PQBNDIGPYHROIO-OAHLLOKOSA-N 418.519 1.588 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1 1856095621 IYKAJMVEWBODKN-OAHLLOKOSA-N 419.503 1.104 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)cc1 1856102084 FAJJPJSKCQWVJS-MRXNPFEDSA-N 422.407 1.438 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3onc4c3CCCC4)C2=O)C1 1857103099 BXTQYHGMMDZPPP-KRWDZBQOSA-N 407.430 1.324 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)C[C@@H]2CCCC2(C)C)C1=O 1857144238 PADKEYNUJBAEAF-MAUKXSAKSA-N 410.522 1.813 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1857263267 DYYRIDODUAKBOD-FUHWJXTLSA-N 403.910 1.976 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857266612 KJXHGOPWMVVSPV-RDJZCZTQSA-N 418.881 1.879 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(Cc4ccsc4)CC3)CC2=O)ccn1 1857278007 HSKVSKGXOYECIE-QGZVFWFLSA-N 409.515 1.821 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862595993 KOXIAZBEIQZTQN-BTDLBPIBSA-N 414.370 1.965 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2C[C@@H](C)C[C@@H](C)C2)n1 1871507162 IVIGVWXCHBICPB-OKILXGFUSA-N 417.539 1.765 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2cccnc2)cc1OC 1874237604 BBZRADHWHBHZJZ-SSDVNMTOSA-N 412.475 1.741 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 1882811283 WYQXPYWQYMDWLW-KRWDZBQOSA-N 417.443 1.638 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCC2(O)CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889326119 KAPDEHGKUZHPLL-RBUKOAKNSA-N 417.531 1.609 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995110894 BYYYSBASBRYJSH-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162916660 VAVRRJSISVXVLV-SANMLTNESA-N 414.509 1.546 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](S(N)(=O)=O)C1 2181109716 HUMDEQQPHWVSRC-KBPBESRZSA-N 402.517 1.243 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CC(F)(F)C[C@H]2CC#N)CCS(=O)(=O)C1 2233992615 PYULGLQCZFUQPY-ABAIWWIYSA-N 407.439 1.218 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCS(=O)(=O)CC1 2235501179 ODMYJCHDEOGDJF-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE COC(=O)CCS(=O)(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2241156719 FHVGOACWFKFIKJ-UHFFFAOYSA-N 404.681 1.339 30 10 HDEE CN1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)OC(C)(C)C)C1 2243429466 CSTUGWHDZNBAIY-OAHLLOKOSA-N 407.320 1.289 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2247825427 DMQOIWUIYHXIOO-KBPBESRZSA-N 420.319 1.598 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247830094 XTGOTKFUYYPKSI-BETUJISGSA-N 418.303 1.543 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248061714 SIQDDAQRYKOHPB-CMDGGOBGSA-N 418.303 1.587 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)nn1 2248403813 GQQZXYUQNURWRJ-UHFFFAOYSA-N 419.291 1.054 30 10 HDEE C#C[C@@H]1CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258157635 DMTDOQITRRMJQU-PVAVHDDUSA-N 408.476 1.176 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@@H]1CC#N)[C@H](O)C(F)(F)F 2280085339 UFTSZQRZTQMTFQ-GUBZILKMSA-N 401.332 1.953 30 10 HDEE CC[C@@H]1CNCCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282316173 YPEOFPWQFXRALU-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CSCC[C@@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282338658 OXUNASJKASKWQP-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NOC2CCOCC2)OC1(C)C 2282495475 MXRBAFVOMVGNEL-UHFFFAOYSA-N 403.331 1.577 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3C[C@H]3CO)ccc2Cl)OC1(C)C 2282495797 RDYIKCVSINUJKG-RYUDHWBXSA-N 401.721 1.546 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CN(CC(F)F)C2)OC1(C)C 2282499652 QYSKGHJBFAIVSU-UHFFFAOYSA-N 408.301 1.275 30 10 HDEE Cc1nc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282519111 IXNUWGJBPASFPZ-INIZCTEOSA-N 400.331 1.058 30 10 HDEE COc1ccc(C(=O)NCC2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282653229 VNMWFMPAFQZJQB-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE Cc1c(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)nnn1C 2282837440 DYAGPRWWXZWRDI-UHFFFAOYSA-N 418.737 1.938 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC(=O)N(C)C 2282839701 HVLOCVZGDCNQRK-UHFFFAOYSA-N 402.347 1.064 30 10 HDEE C[C@H](O)C[C@@H](C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843877 UGLVYFRGXXUFRF-OLZOCXBDSA-N 403.375 1.874 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](C)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282847091 UAWOFAHGSABXCM-GFCCVEGCSA-N 400.375 1.584 30 10 HDEE C[C@@H](N)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854303 PUUZTDZADOIMQR-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@](F)(CO)C3)s2)OC1(C)C 2282855104 ZJBQUQQPGMPQLY-INIZCTEOSA-N 405.322 1.532 30 10 HDEE C[C@H](O)[C@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876188 ZKTPSZRGVVDYPJ-MISXGVKJSA-N 401.721 1.687 30 10 HDEE CON(CCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284409266 HAWUSVLIBBRAIR-UHFFFAOYSA-N 405.303 1.383 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)O[C@H]2C1 2289381874 GZLMHKVDDVUHED-QNWHQSFQSA-N 402.513 1.679 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@H](CS)C(=O)O)C[C@@H](P(C)(C)=O)C1 2344175300 QKAHUPXCUNAKQU-QJPTWQEYSA-N 408.457 1.734 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2356971086 PRNIFNQNZZVEQH-MJBXVCDLSA-N 403.501 1.554 30 10 HDEE CCC1CCC(C#N)(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2360552945 JHBUJQUWFHHOIJ-FVRSWCFKSA-N 401.529 1.903 30 10 HDEE CN[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1(C)C 2361411090 NHHJLFLSZXJKRV-LBPRGKRZSA-N 400.375 1.666 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365201288 HGRQZLQCCBPKKX-DOXZYTNZSA-N 402.557 1.586 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2365204808 OTXKWRMZQJTPQE-SPYBWZPUSA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2367786648 IJLNKYUKATYNIF-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792567 PQXKNZUANXECSU-QWHCGFSZSA-N 414.553 1.272 30 10 HDEE C[C@H](C[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)NC(=O)OC(C)(C)C 2367794316 HDRNJEVUOPQRHC-ZIAGYGMSSA-N 403.497 1.730 30 10 HDEE CC1(C)OB(c2csc(CN3CCCC[C@@H]3CS(C)(=O)=O)n2)OC1(C)C 2368855634 VWVJIHWUAXEFEL-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)CO2 2368965388 BYIULKJMIAWYHH-GPINWOSQSA-N 401.525 1.494 30 10 HDEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@@H]2CCCO2)N2CCC(C(N)=O)CC2)n1 14161142 PEXZBMJAUPSGCN-HNNXBMFYSA-N 419.555 1.112 30 10 HDEE C#CCN(C(=O)c1ccccc1I)[C@H]1CCS(=O)(=O)C1 48816790 KFEBCLVGWJRIEM-NSHDSACASA-N 403.241 1.554 30 10 HDEE CC(=O)Nc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70896940 UDXXNRDZKYPFPW-UHFFFAOYSA-N 420.473 1.883 30 10 HDEE O=C(CCS(=O)(=O)c1ccccc1)NCC#Cc1ccc(N2CCOC2=O)cc1 96349971 BFROSDIUKYCNDT-UHFFFAOYSA-N 412.467 1.975 30 10 HDEE Cc1nsc(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1C#N 439284338 MFYOMUPHDYMPFY-UHFFFAOYSA-N 409.493 1.967 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)ccc1Cl 447161255 WXHADTACQWBYGK-GREKMHCPSA-N 405.863 1.297 30 10 HDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462087036 AMOCGBMWGBAVEF-MRXNPFEDSA-N 422.493 1.299 30 10 HDEE COC(=O)C[C@]1(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCOC1 466897336 JYCLZUUKNHOADO-GOSISDBHSA-N 403.826 2.241 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 468248973 BVBGARUEEDBOTN-GOSISDBHSA-N 410.522 1.966 30 10 HDEE COc1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 483085290 VCNIOKNXLGMTAB-UHFFFAOYSA-N 407.477 1.562 30 10 HDEE CCOc1ccnc(N2CCCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)n1 486935913 DLSIEYGENWDUIL-UHFFFAOYSA-N 405.455 1.787 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)cn1 488784098 OLKLRAMEDLPDNX-YUEXHZCUSA-N 402.458 1.769 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3c(O)nc4ccccc4c3=O)C2=O)cc1 505662414 WUUVNKIUPTUIFO-GOSISDBHSA-N 417.425 1.286 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 516559195 KIAQBMQJRLDJSC-SFHVURJKSA-N 417.535 1.402 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 521111376 GXXUBODDJAQULJ-NVXWUHKLSA-N 421.475 1.145 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1-c1ccc(S(C)(=O)=O)cc1 523499103 ZWMLRCOASCPCOF-UHFFFAOYSA-N 420.458 1.553 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN(c3cccnn3)CC2)CC1 540549930 SAGKWDVXOBIKTB-QGZVFWFLSA-N 411.535 1.069 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2=O)cc1 541890363 VVWYWTIIVQDCEF-FQEVSTJZSA-N 404.470 1.883 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)OC)C1 549274117 LGTLXQBMHQDIBY-KRWDZBQOSA-N 402.451 1.917 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[S@@](=O)C(CC)(CC)C1 549698584 IRVPCQRJRDZSLI-IYJVBRSBSA-N 417.601 1.592 30 10 HDEE C[C@H](c1ccccc1)N(C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 555583813 ICBRBPPIKZLTCW-OXQOHEQNSA-N 404.470 1.995 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(F)c(S(=O)(=O)NC)c3)cc2C1=O 557070427 RBKZHZNQGIQPNR-UHFFFAOYSA-N 417.418 1.768 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)C[C@@H]2CCCS(=O)(=O)C2)cc1 559371511 LPZBNBNFZVCQGP-HOCLYGCPSA-N 407.517 1.613 30 10 HDEE CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(C#N)c(OC)c2)c1 562149352 DDDHDRJISDNDBT-UHFFFAOYSA-N 411.414 1.764 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1 566592372 AXRJEIJSNAOANL-INIZCTEOSA-N 403.435 1.751 30 10 HDEE N#Cc1cc2c(nc1N1CCN(CCn3nc4c(cc3=O)CCCC4)CC1)CCOC2 585585914 BGHWCPQVKIPEMH-UHFFFAOYSA-N 420.517 1.284 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 589461671 WQUKWVIPRSSDPU-UHFFFAOYSA-N 407.492 1.418 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1C 610830712 SXZQNWMSUXSIJJ-UHFFFAOYSA-N 404.423 1.169 30 10 HDEE CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(C(C)(C)C#N)cc3)CC2)CC1 614159793 QINYWYGPWSBHNZ-UHFFFAOYSA-N 405.568 1.098 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 729051980 UVVNHBHYEQHBDG-MRXNPFEDSA-N 413.526 1.140 30 10 HDEE C#CCN(C(=O)CCOc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 729333988 FDVWSQXXEWBTGM-ZDUSSCGKSA-N 400.294 1.867 30 10 HDEE C#CCN(C(=O)c1ccc(CNC(=O)c2cccs2)cc1)[C@H]1CCS(=O)(=O)C1 729334154 JMLLEMRAETVSSP-KRWDZBQOSA-N 416.524 1.941 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 730144376 KFHAUJNJMKXPAY-MRXNPFEDSA-N 406.483 1.467 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(CC)C1 730937489 UHCBJXWHJYKILK-RDJZCZTQSA-N 406.552 1.742 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1-c1ccc(F)cc1 732795661 REWNZDZBBTVAHS-UHFFFAOYSA-N 411.462 1.065 30 10 HDEE COC(=O)[C@@H](NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(C#N)cc1 739988452 BNISOXBHFZVRFM-SFHVURJKSA-N 416.478 1.441 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN1C(=O)c1ccccc1O 744724330 KKUTUQULMOCWAS-PXARDIRTSA-N 401.463 1.983 30 10 HDEE C[C@H](OC(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745744384 GRVRKVJFTJHLGY-FTGAXOIBSA-N 405.476 1.254 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 748611321 JWHFBZVSQQJZDU-XJNFMUPTSA-N 404.394 1.795 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC1 748812072 DFUIARANMAXRFW-OAQYLSRUSA-N 414.937 1.865 30 10 HDEE COc1cc(OC)c2c(c1)N(CN1CCN(c3cccc(C#N)n3)CC1)C(=O)C2=O 760550612 FGTMDNLTGFASDK-UHFFFAOYSA-N 407.430 1.279 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OC(F)F)[C@@H]1CCS(=O)(=O)C1 774049721 VNIBAFVOSXDTLH-GFCCVEGCSA-N 416.402 1.729 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN3C(=O)OCC[C@H]3C2)c(C#N)cn1CCOC 775767845 UJGOMDJETFRNIH-AWEZNQCLSA-N 419.438 1.241 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 780848404 MTDUUVFZEDBVDG-GOSISDBHSA-N 403.435 1.264 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1C 780848917 SCZSPNBZBKTZMK-FQEVSTJZSA-N 413.499 1.742 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 780936268 ZNGKCUQRQWUCGJ-QHCPKHFHSA-N 418.497 1.715 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCn2nnc3c(cnn3-c3ccccc3)c2=O)cc1 781267678 WEVOGQQITAEZCI-KRWDZBQOSA-N 402.370 1.083 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2c(Br)cnn2C)cc1 782254550 YBDIWCZFGRJNSI-UHFFFAOYSA-N 415.269 1.672 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 784128606 PRNBOOLUCGKMAR-KRWDZBQOSA-N 420.510 1.475 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)cc1C#N 787492832 ZPYKLUFGNQDISD-UHFFFAOYSA-N 418.457 1.697 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ccc(S(N)(=O)=O)cc2C(F)(F)F)n1 788559620 ZYDHGLZJFDCMPT-UHFFFAOYSA-N 416.425 1.836 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCOCC3)cc2)n1 788895660 BPECYOGNNJUXNB-UHFFFAOYSA-N 411.506 1.711 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796853022 ZLBHENZDBYEUKM-ZBFHGGJFSA-N 421.523 1.248 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2c(C)cc(C)cc2C)C1=O 800125156 CUGQXQZEBMENPK-QGZVFWFLSA-N 408.524 1.414 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 800778573 LFUKZVQATHFNMP-KRWDZBQOSA-N 412.494 1.853 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 803195288 FBUIKRJNDVOPOK-IRXDYDNUSA-N 416.478 1.315 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1CC(F)F 804722049 BTWBDBYEBHOVHW-LBPRGKRZSA-N 401.435 1.388 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)N2CC[C@](F)(C#N)C2)cc1 806745652 KBRXXCISJYFSGW-YJYMSZOUSA-N 406.414 1.464 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 809893139 KHAQDSLAVHRSCU-CQSZACIVSA-N 406.487 1.099 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 813390347 VGHGUDQUUAWWKH-UHFFFAOYSA-N 401.250 1.962 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)NC[C@H]1CCCO1 918022420 MNLPYSKAJRSNSS-SECBINFHSA-N 419.381 1.608 30 10 HDEE Cn1c(=O)c2nc(Sc3n[nH]c(NN=C/C=C\c4ccccc4)n3)[nH]c2n(C)c1=O 1084125105 VSDPMDCXWZNBNH-ROIPMTIQSA-N 423.462 1.341 30 10 HDEE CC(CC(C)C)=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1 1084415578 QMQWCOLDCAIKLZ-UHFFFAOYSA-N 405.488 1.074 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCNC2=O)cc1 1125307543 NJJRPJVIMYTACB-KTNMXJNISA-N 406.508 1.744 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(C(=O)c3cscn3)[C@@H](C)C2)cc1C#N 1129611525 AIIMMBUDSYELPH-JTQLQIEISA-N 403.489 1.824 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)[C@H]1c1nccn1C 1129977520 WFULLVKIEYLOEO-HOJAQTOUSA-N 407.474 1.774 30 10 HDEE COCc1ccnc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1135048984 QYMPUTZOUSSFCI-UHFFFAOYSA-N 415.475 1.534 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1135889612 PYNLDKCKWMYDJQ-OAHLLOKOSA-N 417.466 1.058 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1138078546 BWGIVBIDQUXUOO-CYBMUJFWSA-N 412.817 1.393 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)CO1 1142586256 MYHLMXVGXWASJN-ZWKOTPCHSA-N 409.527 1.588 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1150938894 KSTIEIZJIUKJJB-MRXNPFEDSA-N 424.295 1.793 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1160197402 IHAAICAIFMZLQD-IKGGRYGDSA-N 407.511 1.648 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1192472941 ZXBFSRPMTUBNPH-LJQANCHMSA-N 405.520 1.123 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 1215276067 UHRUBQYINQNXKY-ROUUACIJSA-N 405.520 1.858 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1230511562 WLVUTTCVXZWGBU-LJQANCHMSA-N 421.567 1.697 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1F)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 1256219208 WUUWFWQCOGHFCK-RHSMWYFYSA-N 422.457 1.620 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(C)nn(C)c1C 1286423749 VZYUCNQQFTVAHZ-JOCHJYFZSA-N 410.522 1.792 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCNC(=O)C1CC1 1286434614 QKCRNQZSUYGIPN-UHFFFAOYSA-N 409.465 1.985 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@H](O)C2)CC1 1286473234 ZFCFAFXFPRPBBS-FHWLQOOXSA-N 405.543 1.308 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286614081 KKAUUAKSBXPODP-NRFANRHFSA-N 421.542 1.613 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1286746089 OHXXMLVKIXHWCU-IBGZPJMESA-N 411.506 1.833 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1286825773 XJOKQBIRPGNKOT-IXDOHACOSA-N 411.572 1.649 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1=O 1287394823 KDLWBPKJJLFTIR-FQEVSTJZSA-N 406.377 1.979 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1289086246 ZKDXFRXPIOXEHP-UKRRQHHQSA-N 413.482 1.547 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1290053693 KLJMTNBZFOCTQL-UHFFFAOYSA-N 405.457 1.541 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCC(F)F 1292055207 HIVXIWRTFQNJIR-KRWDZBQOSA-N 402.421 1.920 30 10 HDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)CCC1 1296259005 DBFCJANUDVLWBP-UHFFFAOYSA-N 421.505 1.402 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1298483568 LXCZLGDTWNXILN-UHFFFAOYSA-N 407.511 1.895 30 10 HDEE C#CC[C@H](NC(=O)c1cc([N+](=O)[O-])cc(I)c1C)C(=O)OC 1299178978 QTPODIJJAUECTB-LBPRGKRZSA-N 416.171 1.803 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)OC(F)(F)O2 1299825840 BEHAFBOQBXVNIF-UHFFFAOYSA-N 423.397 1.753 30 10 HDEE CCONC(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1300272005 QMAXHASGNPCGOC-QGZVFWFLSA-N 402.451 1.576 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300307325 DYVARBXNZHEVGR-CVEARBPZSA-N 418.519 1.722 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1300500856 FHOGZNDAIWKUJS-INIZCTEOSA-N 417.535 1.764 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCCNC(=O)c1cccc(O)c1 1300530040 WGZXWGHAMZOXKX-UHFFFAOYSA-N 402.458 1.872 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCC 1300671731 NYWAZLPPCRFHSU-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300870086 PTQVCDHGAMXZHX-ROUUACIJSA-N 404.515 1.142 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301496481 BIGDHNDGVYBXSY-HNNXBMFYSA-N 423.481 1.188 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1301554989 QUIYFRIJGBIOLA-CVEARBPZSA-N 402.499 1.705 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C(C)C)C1 1301556245 GLDMGNIPOANPMW-MDZRGWNJSA-N 412.556 1.369 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 1313372516 ZKVGTYUTYAMCRQ-ZWKOTPCHSA-N 415.494 1.957 30 10 HDEE COC[C@H](C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1315777269 GIJBPOPKJWCVSA-KGLIPLIRSA-N 409.450 1.605 30 10 HDEE COC[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1315777993 BNVGHORTSHGUPF-MRXNPFEDSA-N 419.493 1.611 30 10 HDEE C=CCO[C@H]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1320034943 RXHIDRFGOCOUSI-HNNXBMFYSA-N 410.496 1.312 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1322083504 VJUQPVAYQSUFHB-HNNXBMFYSA-N 416.540 1.604 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3cccc(Cl)c3C#N)c2)NC(=O)NC1=O 1335332884 PIQMDOUZANTTIF-GOSISDBHSA-N 418.862 1.745 30 10 HDEE CN(C)Cc1cnc(/C=C/C(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)s1 1340930491 FLACPGJUCBSFLR-BQYQJAHWSA-N 409.489 1.464 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nc(S(C)(=O)=O)ncc2C)cc1 1354104970 SYKKQCBDMVBDGD-UHFFFAOYSA-N 424.504 1.247 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358956772 KMTWHBJQPZCFKC-BZUAXINKSA-N 421.567 1.333 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1359000007 JNDCGHAHMYGHBF-DLBZAZTESA-N 410.588 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCNS(C)(=O)=O 1359067957 JALSJOMFGOROCI-LJQANCHMSA-N 403.508 1.495 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359131740 DBAXRZCXQUKXIV-RDJZCZTQSA-N 416.526 1.317 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNS(C)(=O)=O 1359238442 LAWXWLXUMSJFOE-UHFFFAOYSA-N 417.495 1.155 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1COCCO1 1359281471 ATUNLEHOZQHQEL-VQIMIIECSA-N 416.478 1.845 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@](C)(C#N)C1 1359302463 IGBZJUBJZCODIH-QFIPXVFZSA-N 418.505 1.949 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)C)C1 1359331201 QJQDOUIHTWJRGO-MRXNPFEDSA-N 406.512 1.197 30 10 HDEE CC(C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359712886 OBFTXYZATYSKOS-NRASPWIFSA-N 414.510 1.933 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1439219999 LJGRRGHZVSAKRD-GKVAYGERSA-N 411.458 1.528 30 10 HDEE C#CCN(CC(=O)N1CCC(NC(=O)c2cc(C)on2)CC1)C(=O)OC(C)(C)C 1442351092 YLLMXOLLQTXLDY-UHFFFAOYSA-N 404.467 1.574 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1443587706 VINAPHARMAKUMP-YXMGTMDOSA-N 405.470 1.093 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2c(Br)nc3n2CCOC3)cn1 1447432840 FNPWTSPYZGEPMN-UHFFFAOYSA-N 414.223 1.880 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1453543177 AOCYDNHBBBEGKC-QVKFZJNVSA-N 419.478 1.440 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1455215874 XRFSNUHFOLUTRL-JTHBVZDNSA-N 405.454 1.622 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c3cc(C)n(CC)c(=O)c23)c1 1457885968 IRWMIDHLRRSIIO-UHFFFAOYSA-N 415.475 1.770 30 10 HDEE Cc1cc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(N(C)C)nn1 1461540901 HHGACNYICDSFRT-HNNXBMFYSA-N 407.434 1.566 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)nc3N)CC2)cc1 1464027085 GTHLCCGPVAYALT-UHFFFAOYSA-N 405.867 1.336 30 10 HDEE CCOC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)on1 1464266223 GIDCOXAOYCJZPF-PGMHBOJBSA-N 420.447 1.916 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCN(C)CC(F)(F)F)c(C#N)cn1CCOC 1466104274 DPVWTMFFEZYVBQ-UHFFFAOYSA-N 419.404 1.798 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)C(=O)/C=C/c1ccc(F)cc1)C2 1467963845 DDZBHHVBWNKGMP-JXMROGBWSA-N 402.447 1.901 30 10 HDEE C#CCOc1ccc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1468933765 OLVJMHZVINDXQQ-UHFFFAOYSA-N 406.435 1.636 30 10 HDEE N#Cc1cccc(ONC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c1 1471085337 CLIMVFPWNXBTCU-QGZVFWFLSA-N 401.444 1.739 30 10 HDEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)O1 1472009984 LIBISQGTNVKXRO-FHWLQOOXSA-N 411.462 1.361 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4cnc(C(F)(F)F)c4C3)CC2)o1 1473758201 RIPCXDQVVHKJLG-UHFFFAOYSA-N 423.399 1.234 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1475861048 HNPSPXXSZGDKGM-KRWDZBQOSA-N 400.479 1.226 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCc2ccccn2)cc1 1505316232 GRHNIEDUNXCWQC-UHFFFAOYSA-N 408.487 1.689 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC=C 1507532076 JAQBVEKUNCILOQ-MRXNPFEDSA-N 408.510 1.212 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507634192 XAQZHUFLSWOZNG-KSZLIROESA-N 404.536 1.765 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507658462 BGIXZCNJNIMLNZ-OZIGNCPNSA-N 414.506 1.413 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1507669483 MXOQBQSIUQDCOR-CVEARBPZSA-N 424.617 1.492 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1507679560 XYUOGTKKBDAIOZ-QFBILLFUSA-N 410.540 1.215 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@H](O)C1 1507702015 DQWNDZOCQUIHGX-SJORKVTESA-N 412.494 1.563 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1 1507711467 UYCMWUJCUHHMAU-ROUUACIJSA-N 424.567 1.616 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(C)(C)N2CCOCC2)CC1 1507738290 LNBUKXBOCQTLQS-UHFFFAOYSA-N 414.554 1.232 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1507792358 YILGJLVOZZTPBM-VYDXJSESSA-N 404.515 1.064 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1507795508 DPNWZIBBMKLFKF-ROUUACIJSA-N 423.583 1.999 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507805954 RFNKWBWDWZOIFU-GHTZIAJQSA-N 416.570 1.566 30 10 HDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1507820575 HPNJUTYEPVQMKH-UHFFFAOYSA-N 412.542 1.991 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507965478 GUBXQFFTBARHNC-DLBZAZTESA-N 404.515 1.763 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507966717 BIOWYJCCAXSAKR-ULQDDVLXSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1508089217 IZPIMZRNYOKGTP-PKOBYXMFSA-N 416.570 1.785 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508093178 BJJNOXHMZHHZRZ-IRXDYDNUSA-N 400.527 1.560 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(OC)CCOC2)C1 1508126208 GUMGHHREEABEEU-NTLWEQJWSA-N 422.526 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CCCCC1 1508139546 CPDXWVDXVJLOGA-INIZCTEOSA-N 409.556 1.847 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCn2ccnc21 1519329941 XILZTDWJQQQZDA-IXDOHACOSA-N 415.498 1.505 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)Oc2ccc(C#N)cc2I)O1 1519813254 WHTJKDISKYKVGX-NWDGAFQWSA-N 401.156 1.789 30 10 HDEE Cn1cc(C#N)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)n1 1524282693 WKBILEFIALVQRL-OAQYLSRUSA-N 402.414 1.851 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cccn(CC(F)(F)F)c2=O)[C@@H](C#N)C1 1525127509 WREQTLASIPWJDE-LBPRGKRZSA-N 414.384 1.996 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C 1538379534 GTUWGGYKTAAEFR-HNNXBMFYSA-N 423.535 1.783 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1539141341 FVRIXWIDONFHMS-AABGKKOBSA-N 417.554 1.574 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCCCC)CC1 1539428517 SNLTVGKJRZXXIH-UHFFFAOYSA-N 402.543 1.476 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2CCN(C(C)=O)CC2)CC1 1539451908 DZUSBKWLLZFWST-UHFFFAOYSA-N 400.571 1.880 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2CCCCO2)CC1 1539459581 KXEFBIHEXDLRGI-FQEVSTJZSA-N 411.554 1.854 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540026218 BBOBAIAFVOIALM-OAQYLSRUSA-N 415.542 1.572 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccn(C)n1 1540853046 JKMSFNKNSOZSJP-UHFFFAOYSA-N 406.494 1.937 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540862691 GZLVJJNVJCIVIP-ZWKOTPCHSA-N 404.559 1.642 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540870268 IXHCTOGDSOOMSX-GOSISDBHSA-N 413.526 1.567 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1540870361 LOWXHTHHMYOHEL-INIZCTEOSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccccc2)CC1 1540871909 XABJEFQVWFQUND-UHFFFAOYSA-N 410.522 1.741 30 10 HDEE CC(C)(C)c1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541162203 ADDDELHWUOJNOZ-MSUUIHNZSA-N 414.510 1.861 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(O)cc1 1541927304 HWVMUCGYDHPTGY-UGSOOPFHSA-N 422.486 1.279 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)C1 1541990169 ASTLSGHSYNMUHQ-IBGZPJMESA-N 402.524 1.829 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1542725555 XDBHANOYHHWSQL-KRWDZBQOSA-N 406.446 1.892 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1555386761 OGGZNSVGAQKRMJ-RBUKOAKNSA-N 413.478 1.474 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1 1556159166 QHLMQVGXTLXJQW-GOSISDBHSA-N 400.431 1.768 30 10 HDEE COC(=O)CC[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC 1556482437 DOZCIESXAAAOHN-MRXNPFEDSA-N 419.283 1.519 30 10 HDEE C#CCN(CC(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1557453313 CKWOLYQPHBIQMN-OAHLLOKOSA-N 423.510 1.751 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)on2)c1 1558420132 RQLHUWVTDFBIRG-UHFFFAOYSA-N 419.319 1.968 30 10 HDEE C#CCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)CC(=O)OC(C)(C)C 1559975896 CCZKQVIWEYBYIW-UHFFFAOYSA-N 403.435 1.383 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(COC)cc(C(=O)OC)c1)C(=O)OCC 1561828291 JNJOTPAKXFWRTH-OAHLLOKOSA-N 419.883 1.972 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3nnc(O)o3)CC2)s1 1568967997 CCNQDHZJLRYNNG-UHFFFAOYSA-N 412.493 1.250 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(COC)COC)CC1 1570318471 RCFRWJWKXAOSOE-MRXNPFEDSA-N 419.950 1.828 30 10 HDEE COCCC1(NC(=O)[C@H](C)n2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)CC1 1583112936 KDDNICQQABXOKV-AWEZNQCLSA-N 406.487 1.633 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1587638114 BQZFAQHWZKSASC-LSDHHAIUSA-N 407.540 1.087 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C)cc3)C2)cc1 1587796947 QXUQRJOJWQZMRG-HXUWFJFHSA-N 411.527 1.911 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588034493 HFAZMFOBCSRWOB-FUHWJXTLSA-N 407.584 1.724 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C(C)C 1588110071 UCGSDQQKWRDQHA-UHFFFAOYSA-N 417.521 1.724 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1588138508 DWDRWKZOQYHIJJ-MOPGFXCFSA-N 417.579 1.373 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(OC)CCCC2)CC1 1588929889 IJPZJUGTJHYDHD-GOSISDBHSA-N 415.538 1.707 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589544587 IWQJPXGIUJFCHM-WIYYLYMNSA-N 418.586 1.812 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1594003534 CTHQRRYGQQEEMO-XHSDSOJGSA-N 413.906 1.096 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC[C@@H]1C 1594797483 AYCADUATBNBZOS-INIZCTEOSA-N 410.482 1.739 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1594802587 DEYMJZXAJGSMNO-UHFFFAOYSA-N 420.477 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CCOc1ccc(F)cc1 1595544506 IUDSJBQARADTDR-HNNXBMFYSA-N 403.458 1.739 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](CC)O[C@H](C)C1 1595785386 YZYAKQOGEHVDJL-CVEARBPZSA-N 407.540 1.888 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1597100293 FETRTCTVRQQPOV-HNNXBMFYSA-N 412.533 1.381 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705641 VJMPQXLGKBAYNJ-GCJKJVERSA-N 406.417 1.748 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CC1 1615841843 GYYKBVYCZIPQJF-ZWKOTPCHSA-N 412.542 1.038 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1616206256 ZSCJKYGOCROOSJ-NQIIRXRSSA-N 419.526 1.866 30 10 HDEE CC(C)(C)OC(=O)NCc1ccccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1616348350 XVLUPLULVANVCL-HTXNQAPBSA-N 414.462 1.968 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)[C@@H]1CCCO1 1616964791 VJWKVHYVTWNPMO-LEAZDLGRSA-N 420.531 1.231 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C)(C)CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1618384330 OSGZDMHXMLKIKG-ZPHPHTNESA-N 424.509 1.831 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1618435256 HLKSGQHQYYLXKZ-INIZCTEOSA-N 417.539 1.305 30 10 HDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1619504268 UXZLISSYPKQZCS-XMSQKQJNSA-N 424.505 1.822 30 10 HDEE C#CCN(CC(=O)NCC(=O)N[C@@H](C)c1ccc(F)cc1)CC(=O)OC(C)(C)C 1619904626 IKBIHDGMPRXTOW-HNNXBMFYSA-N 405.470 1.396 30 10 HDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1620067140 DYCQDRQWJVWZJZ-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCOCC(F)F)c1 1620348889 IXTOVDNFDBOOBJ-HNNXBMFYSA-N 417.420 1.312 30 10 HDEE N#C[C@]12CN(C[C@H](O)c3ccc(F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1620635527 QHGNQKUEAKSUJF-TUKIKUTGSA-N 403.273 1.492 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)CCc3ccccc32)s1 1623635358 QWSFQROXTZPTGE-LJQANCHMSA-N 406.529 1.705 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1OC 1623886719 VIZFVHJCFYLPSK-UHFFFAOYSA-N 408.454 1.646 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1627120977 QPFQMPNXTHGMMF-UHFFFAOYSA-N 405.455 1.430 30 10 HDEE Cn1nc(C(F)F)c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)sc21 1627137169 TZXYQDKOKKZLCC-VXJOIVPMSA-N 400.432 1.583 30 10 HDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)CC1 1627357846 UPNQNSHUUAAQTK-KRWDZBQOSA-N 410.923 1.745 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1627367154 BEQKGIMXVPTETA-HFTRVMKXSA-N 410.923 1.726 30 10 HDEE C[C@@H](CC(=O)Nc1c[nH]nc1Br)/N=C1/NS(=O)(=O)c2ccccc21 1631181957 BCJSLDCCVUYWFF-QMMMGPOBSA-N 412.269 1.628 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1632218561 FEIPXDYSDZQFQB-QGZVFWFLSA-N 404.430 1.554 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1632862361 DBMGPLKZEYCVSH-GOSISDBHSA-N 422.570 1.906 30 10 HDEE C#CCCOc1ccc(C(=O)NCC(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1633149407 ZMWRDGGXYFZRSS-UHFFFAOYSA-N 415.471 1.365 30 10 HDEE C=CCCC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1634883929 FIQKRSJETDLWDF-SJORKVTESA-N 412.446 1.777 30 10 HDEE CCCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CC(=O)N(C)C1=O 1634910834 ASIGGKVMCPTJQG-CQSZACIVSA-N 408.252 1.695 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ncc(C(F)(F)F)cn2)c1 1635949743 NJOZCSWCFRLDKA-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCc1ccc(S(N)(=O)=O)cc1 1636967071 TZQPAOMAJWOUDS-UHFFFAOYSA-N 401.488 1.813 30 10 HDEE CCOC(=O)[C@@H](c1cccnc1)N(C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1638008793 PDTUGIRKUSQFGX-LJQANCHMSA-N 415.471 1.631 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 1638656629 QTYKPJKJARWMRQ-IBGZPJMESA-N 408.520 1.371 30 10 HDEE C#CCCN(CCOC)C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 1642182873 QKEBAUDDOFDQMK-UHFFFAOYSA-N 402.310 1.862 30 10 HDEE N#CCC(=O)N1CCN(Cc2nnc(C(=O)NCc3ccc(F)cc3)s2)CC1 1643134498 AXKVXIPYJPGOGR-UHFFFAOYSA-N 402.455 1.165 30 10 HDEE CN(C[C@H](O)c1cccnc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1648501297 CWBMJUHIVTWBBJ-ROUUACIJSA-N 407.430 1.350 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)N2CCCC2)CC1 1652864593 ZDKVKOXMTVCYIW-UHFFFAOYSA-N 413.540 1.179 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(NS(N)(=O)=O)CC1 1654469463 ZQXRLMOBHNKYSP-CYBMUJFWSA-N 411.553 1.134 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)Nc3cc(C)on3)c2)nn1 1654646095 DIBFODSXJZPFHN-UHFFFAOYSA-N 402.436 1.491 30 10 HDEE C#CCN1CCN(C(=O)CN(Cc2ccccc2[N+](=O)[O-])[C@H]2CC[C@H](O)CC2)CC1 1654860649 GUYLYXKJIYUXCO-MXVIHJGJSA-N 414.506 1.478 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)c(OC)cc2C(C)C)CC1 1662386175 WFNSESCSKCUIEL-UHFFFAOYSA-N 421.563 1.573 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2nc3cc(S(N)(=O)=O)ccc3o2)n1 1665361733 MVNZPLUBQGVMDJ-UHFFFAOYSA-N 402.436 1.359 30 10 HDEE C=CCCOCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1672848347 YXMRXABGEWOZMO-UHFFFAOYSA-N 411.524 1.984 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC(CS(C)(=O)=O)CC2)c(C#N)cn1CC 1672918555 HDMBGKDNBBAZAD-UHFFFAOYSA-N 410.496 1.845 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1681433074 BVVUBOWTNAISPF-CJXDPKRBSA-N 406.483 1.873 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](CO)c1ccccc1I)[C@@H]1CCCO1 1681816687 XGDMKMWRMZRDRJ-KKUMJFAQSA-N 414.243 1.805 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1683149181 SSJVWVGOPDAZEL-UHFFFAOYSA-N 405.520 1.531 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCN2C[C@H]3CCCCN3C2=O)CCN1Cc1ccccc1 1684245594 BLQRBZQTZOEQNJ-WOJBJXKFSA-N 410.522 1.696 30 10 HDEE C[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CN(C)CCN1C 1684806014 XHBSJLSDXTTZPT-OXJNMPFZSA-N 424.553 1.192 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC(=O)OCC)cc1)C1CCN(C)CC1 1684995739 FEPCIOLWNGMICS-UHFFFAOYSA-N 401.507 1.910 30 10 HDEE COc1cccc(OCCN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c1 1685524807 LUAVIYMVZNQNRV-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)C1CCOCC1 1687122627 CAMZNWQGCFDIEW-MJGOQNOKSA-N 423.510 1.706 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 1687889155 OBCVXDUOTSNECJ-UHFFFAOYSA-N 414.531 1.421 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1689861042 MYXRIWDQMZALMW-DOTOQJQBSA-N 404.540 1.422 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cn1cccn1 1689966043 JODJKBZCXHEZCV-IBGZPJMESA-N 424.530 1.543 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1690058881 CURCZVXYGIFDKW-HUUCEWRRSA-N 419.507 1.188 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1690204981 XMEFLJKUCCDJSS-NPPFBWRTSA-N 414.554 1.722 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1690672773 CTGNBGIFYIVLQV-HKUYNNGSSA-N 413.522 1.720 30 10 HDEE C[S@@](=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1698321269 DLAWAIDCHDROSU-YVORESIASA-N 405.549 1.960 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCS(=O)(=O)C1 1705588647 HWYIWLIYUQFONT-MSOLQXFVSA-N 422.551 1.290 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1705674217 BYVGVIGQGYDSRH-FXAWDEMLSA-N 405.568 1.658 30 10 HDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705826348 BVWSQAPGCGOTBL-QGZVFWFLSA-N 412.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccs2)CC1 1705895021 REAMQMYVBBFMQX-UHFFFAOYSA-N 417.539 1.107 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC(C)C 1705902867 LKQUUADDWSEXAD-UHFFFAOYSA-N 412.542 1.847 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccs2)C1 1705916729 RBZFLPAIVWVUHV-CHWSQXEVSA-N 412.541 1.174 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)noc2C)C1 1705917269 VGFNXAYRTKQJIV-UKRRQHHQSA-N 424.527 1.323 30 10 HDEE CCN(CC)C(=O)CCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1709995829 DFQWATNSEVGPGJ-GOSISDBHSA-N 411.510 1.641 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N[C@H](C)CC)CCOC1 1710456748 FXCZHGFDBHCYTP-CDHQVMDDSA-N 422.505 1.677 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1710894209 GXFGHAHQPCLSNU-INIZCTEOSA-N 424.571 1.632 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712171535 LRYOQLFPQVDRNR-INIZCTEOSA-N 423.456 1.313 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1712698084 YVJBDNCEBZHREG-KRWDZBQOSA-N 422.442 1.730 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC=C 1722290949 HDHQRPBNSOMTNO-CYBMUJFWSA-N 405.480 1.065 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722350550 BYYRZDXVJKTYPH-JTQLQIEISA-N 416.400 1.854 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1722362989 YBIOTXTVMQJXCH-MRXNPFEDSA-N 418.523 1.179 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)NCCC 1722376675 XQFJKLXXPXFGGK-UHFFFAOYSA-N 401.474 1.934 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC[C@H]1COCCO1 1722382741 CMTILHSZXYVGMI-PXNSSMCTSA-N 408.458 1.669 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1722414731 BEGHPKBUQGHCHJ-UHFFFAOYSA-N 416.507 1.080 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC)c(O)c2)CC1 1722438280 PLQGWRCOIZPMQJ-UHFFFAOYSA-N 407.478 1.196 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722444946 PSSRTVXZAJEIMT-DLBZAZTESA-N 403.527 1.081 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOCCCC)CC1 1722452666 IWJIFNQICPXNKR-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1722456732 DQGJVCHJELQDQL-OAHLLOKOSA-N 413.503 1.742 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](C)(C(N)=O)C1 1722491857 OLMBCHCPOBEIMN-DLRJPAPCSA-N 421.542 1.685 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1722671996 HQXGXZCPYTWERA-CQSZACIVSA-N 408.553 1.761 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCOC1 1722680732 XUGWVXBAHOBYNE-CBGDNZLLSA-N 408.543 1.987 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(OC)C2CC2)C1 1722719788 ZXQLRIMOXXBIBI-VPWXQRGCSA-N 424.567 1.777 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C 1726666724 PFHSZMNQJQRXNO-XJKSGUPXSA-N 416.432 1.908 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740623595 XITBXKJNACLMCD-IBGZPJMESA-N 414.531 1.999 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740627500 QTLYVBCVLLAHGA-HZPDHXFCSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccco1 1740630977 HFITWVHSZLILQL-FCHUYYIVSA-N 412.490 1.892 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC1CC1 1740636068 UVTDJMXGISBAGL-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)n1 1740658551 BVASKCRINYZRCQ-HXUWFJFHSA-N 420.517 1.872 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC(C)C)N(C)C)CC1 1740698184 QFAHLNBYQOTNGU-NRFANRHFSA-N 409.582 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1740760066 GMOZVWOYMHXUDU-BDXSIMOUSA-N 424.567 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](CCOC)C1 1740989672 UWKRMBXNARNULV-MRXNPFEDSA-N 407.540 1.747 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1741800717 WSGGBMFAUUBNFR-CYBMUJFWSA-N 420.495 1.351 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1743466372 NZXDQEDRFJTEFD-CDMIOBSGSA-N 424.505 1.605 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1747767407 BNNSDZQWKCHFED-LJQANCHMSA-N 407.478 1.992 30 10 HDEE CN1C[C@@](C)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1748045614 JFQSCBVFGOHWAS-KKSFZXQISA-N 407.478 1.216 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1748789999 DAFGSQBPBRUZSW-QGZVFWFLSA-N 415.519 1.048 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(N)=O)c1 1748900243 AOGYTWMAWIYYTJ-UHFFFAOYSA-N 415.501 1.750 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1748929847 QSKWQMHADANEDR-MRXNPFEDSA-N 402.524 1.149 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN(C)CCOC)CC1 1749004503 KJVKEIGPYNDICW-UHFFFAOYSA-N 418.586 1.510 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCSC2)CC1 1749009626 UHYLADAJRMEDCP-HNNXBMFYSA-N 413.551 1.398 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1749028719 GZEQFTANBWVSRG-LJQANCHMSA-N 408.531 1.704 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1749189799 TYZINMHTMRJUSF-CABCVRRESA-N 414.514 1.634 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1749465623 GRJGQJKLYJALDV-JOCHJYFZSA-N 411.506 1.887 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC)C1CC1 1749519330 JGEGIRJTIMRPLH-HNNXBMFYSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1749664758 YVDUDOQNVLIPMA-UHFFFAOYSA-N 410.522 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@]2(CCCOC2)C1 1749729804 SEZUPXRAPFOBPH-HXUWFJFHSA-N 419.551 1.891 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCOC2)nnc1N1CCCCCC1 1750417676 HLYIRWMKKYDMIK-UHHPSXQGSA-N 400.483 1.689 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC[C@H]1CCOC1 1750938187 XVXTVZTXCZTUAH-QGZVFWFLSA-N 418.542 1.990 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1750980211 GSNCGIJJFILCAH-CQSZACIVSA-N 403.874 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1 1760108879 MKVZUYQHOMFBBN-KRWDZBQOSA-N 401.511 1.954 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCCC2)C1 1760154392 DJQLPAUJYJKQHL-ZWKOTPCHSA-N 405.568 1.658 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1760157684 YDBGFFKCWHKKEZ-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)C)C1 1760244077 XBGPLFHZEZOBNI-LJQANCHMSA-N 416.570 1.721 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@]1(OCC)CCOC1 1760528307 YSWZMFVMGMEAGI-JXFKEZNVSA-N 407.515 1.095 30 10 HDEE CC(C)OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1761313515 DQQVWIYGTVCSAC-IRXDYDNUSA-N 401.515 1.221 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNC(=O)c2cc[nH]n2)n1 1761939071 DCGYDKPQDGZDQY-UHFFFAOYSA-N 419.493 1.932 30 10 HDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1768881213 UHIPZWGEHNGLTH-QGZVFWFLSA-N 417.535 1.850 30 10 HDEE COc1cccc(OCCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1770382915 RDCMMZWSSSYBPK-LPHOPBHVSA-N 413.478 1.988 30 10 HDEE CC(C)(C)OC(=O)NC12C3C4C1C1C2C3C41C(=O)ON1C(=O)c2ccccc2C1=O 1772787841 RVEUBDNDAVXYNW-UHFFFAOYSA-N 408.410 1.756 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1772788398 RRHYKNJAVAAEAM-UHFFFAOYSA-N 400.412 1.839 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1csc(S(=O)(=O)N2CCOCC2)c1 1772788597 XIEFTZPAPNQXPL-UHFFFAOYSA-N 422.440 1.137 30 10 HDEE Cn1cc(C#CCNC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cn1 1850446768 IITQHMRWBDOCSW-SFHVURJKSA-N 417.517 1.726 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3n[nH]c4c(Br)cccc34)CC2)n1 1851869388 GNCMPJOGLIATAE-UHFFFAOYSA-N 412.251 1.949 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccccc4)n3[nH]2)CC1=O 1852330490 IIIBVDXDKFFZPF-LSDHHAIUSA-N 406.446 1.659 30 10 HDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CCO[C@@H](C(N)=O)C1 1852620622 JHNFBFATLDQHCN-IFXJQAMLSA-N 403.442 1.504 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCCc4nc(OC)ccc43)C2=O)CC1=O 1854299677 SORGDAHXDIAQBT-MAUKXSAKSA-N 412.490 1.395 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2cccc3ccccc23)CCN1S(=O)(=O)CC#N 1854743793 NZVPHHRLTGTEES-CQSZACIVSA-N 401.444 1.131 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1 1855299855 ITUATXGSRSSNSD-SFTDATJTSA-N 410.518 1.415 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC[C@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855718678 YXOKVIXNVRCWIQ-GOEBONIOSA-N 405.476 1.265 30 10 HDEE C=C(C)CN1CC(=O)N(C(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc21 1855765181 YPWWEZIYTRAQNM-KRWDZBQOSA-N 410.518 1.885 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1856016054 NDOSSXZJWLVRTM-OALUTQOASA-N 416.566 1.489 30 10 HDEE C=C(C)CN1CCN(C(=O)c2nn(-c3ccccc3)c(=O)cc2OC)C(=O)C1(C)C 1856122345 XFUSYUHFJIKMJX-UHFFFAOYSA-N 410.474 1.880 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CC)c3ccccc32)CC1=O 1856492115 FHTMLINBFRLSRD-CABCVRRESA-N 419.503 1.529 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H](F)CC(F)(F)F)c2ccccc21 1856906921 RRVQRIPMBLXCKB-JTQLQIEISA-N 407.345 1.900 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)c4ccno4)C3)CC2)c1 1856953828 FAAMIGXOMRMJTM-QGZVFWFLSA-N 409.446 1.721 30 10 HDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857143050 BFCMBHHIRHDDBV-FUHWJXTLSA-N 402.470 1.642 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@@H](CN4CCC5(CC4)C[C@@H]5C#N)CC3=O)nc2n1 1857220374 QEKQJPAWNGOMJL-HZPDHXFCSA-N 407.478 1.356 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1857235812 RYBRFKLOWQTHME-SJLPKXTDSA-N 401.511 1.591 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3cccc(=O)o3)C2)C1 1857465276 MYECRRJKTYEKFZ-CQSZACIVSA-N 408.414 1.048 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnnn1C 1857490592 SHBULVMXKJMMLV-UHFFFAOYSA-N 403.464 1.131 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c3ccccn23)c1 1858241903 KXMLAOBBTXFRIM-OAHLLOKOSA-N 423.454 1.375 30 10 HDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2)C1=O 1863139746 HULRJKOENTWBHH-UHFFFAOYSA-N 401.419 1.851 30 10 HDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(c2ccc(F)cc2)CC1 1870567633 BTOVDQVGVNKCGV-UHFFFAOYSA-N 414.481 1.620 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC[C@H](Oc3cc(C#N)ccn3)C1)CS2 1889358531 KTBFIISXUDJSBJ-CVEARBPZSA-N 411.487 1.844 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 1889385196 XFSGAESQGHCHPI-UHFFFAOYSA-N 403.498 1.463 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)CN(C)c2nc3c(S(C)(=O)=O)cccc3s2)C1 1891067295 PYLZHTFGCKXUCR-CYBMUJFWSA-N 407.517 1.387 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H](N)CC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1914865124 YPMJNMYAESIMPJ-RTWAWAEBSA-N 406.486 1.684 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2046018793 KPUCNXGGIWNBFH-RDTXWAMCSA-N 412.439 1.350 30 10 HDEE C#CC(C)(C)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2090729543 FONNYPJDEAJOKU-UHFFFAOYSA-N 417.531 1.422 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 2118166544 JXZYJRKXJHXRGK-VDBVYFBLSA-N 408.546 1.478 30 10 HDEE COc1c(Br)cc(Cl)cc1S(=O)(=O)N[C@@H](CS)C(=O)O 2143408964 QEKISELQVKFOOR-ZETCQYMHSA-N 404.691 1.772 30 10 HDEE C[C@](C#N)(NC(=O)Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O)C1CC1 2195863119 BKQUPGQFQKHMRQ-JOCHJYFZSA-N 405.458 1.920 30 10 HDEE CCOC(=O)NS(=O)(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202298064 CICCIKYJJHRYHA-UHFFFAOYSA-N 404.319 1.436 30 10 HDEE Cn1nc(Br)c(C(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)n1 2226979952 VFOFABXDSIGYJV-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237724133 IPJXTKGWQFDDAJ-LLVKDONJSA-N 403.331 1.337 30 10 HDEE Cn1ncc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247779583 WJLBEDIMJHFSJC-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCONC(=O)OC(C)(C)C)n1 2247917245 IZRHIOGBJULRBG-UHFFFAOYSA-N 424.307 1.388 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)NCC#CC(C)(C)C)NC(=O)OCc1ccccc1 2258152617 GYVLXPBQGXLRIJ-INIZCTEOSA-N 410.492 1.423 30 10 HDEE N#Cc1cccnc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181441 NUKCSZJOVJBJAC-CQSZACIVSA-N 404.404 1.075 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2ccsn2)OC1(C)C 2267709467 CJJDSUCLRNEUSY-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]2(C#N)CCSC2)OC1(C)C 2267729896 RCWUPOOMAUZGQQ-HNNXBMFYSA-N 400.356 1.725 30 10 HDEE CN(C)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H]1O 2281961823 QZYDIXNGJRHQHF-NWDGAFQWSA-N 400.737 1.448 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCNC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282304088 GDIMRNXLEGQBSS-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNC[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282305377 XZLABLIOSUIHGC-NWDGAFQWSA-N 404.338 1.334 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](CCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282321228 USJONUPCXNSPSJ-CYBMUJFWSA-N 401.359 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1O 2282321287 VJRWXKQNYIADMQ-STQMWFEESA-N 401.359 1.938 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H]1CO 2282321832 BXBXYYUIQIYKQQ-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE CN1CCC[C@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282328630 AIVYEMBEQSCHHI-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE CC[C@@H]1CC(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282407879 DOVCQLXZMWHPPP-LLVKDONJSA-N 400.331 1.531 30 10 HDEE CN(CC1CCNCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489489 DLLTVGSGHMUEHF-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE C[C@@H]1CN(C)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500648 ZONPLNQFEYBPGT-CYBMUJFWSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@H]2CO)OC1(C)C 2282501741 BCXHHAIRUDTBTP-GXTWGEPZSA-N 401.359 1.628 30 10 HDEE Cc1nn(C)c(C(=O)N[C@H]2CCCCC23OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282574051 JQJLTBVGOXQMNT-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCO[C@H](CCN)C3)c2Cl)OC1(C)C 2282663347 OFGPBKWZQYCWHK-LLVKDONJSA-N 400.737 1.891 30 10 HDEE CC(C)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856628 VSYRPSMUKIIYSA-ZIAGYGMSSA-N 401.359 1.827 30 10 HDEE CN[C@H]1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282856870 ZOXYHAIUZAPPFM-BETUJISGSA-N 400.375 1.856 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N1C 2282861637 QPOXWZASPKTZPC-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC23COC(CF)(C2)C3)OC1(C)C 2282869693 GZKSWGVHALJZSQ-UHFFFAOYSA-N 403.306 1.597 30 10 HDEE CC[C@H]1COCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871653 KCNUPOJDEZPFRX-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1N 2282878083 AWHNTDXKYRBGBM-RYUDHWBXSA-N 400.375 1.651 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCO)C2CCCC2)OC1(C)C 2282879782 ZAAMVNZVQWKTIS-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCCC(=O)O)OC1(C)C 2284404859 BXEIIOTZPREMAD-UHFFFAOYSA-N 403.331 1.722 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284405387 KBCFRDQJSFCOJD-JTQLQIEISA-N 421.733 1.938 30 10 HDEE C[C@H]1C[C@]1(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284411871 PIPIHBSUJGGVMG-MGPLVRAMSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@H]2CCC(=O)O)OC1(C)C 2284414540 IIJVPQJYCMCLHS-LLVKDONJSA-N 401.315 1.675 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)c(C)n1 2296612000 RBYSAQXZORBJSI-IBGZPJMESA-N 423.473 1.242 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]([C@](C)(NCCC#CBr)C(=O)O)C1 2305990766 YDBOJIFKLMZGRQ-LRDDRELGSA-N 405.289 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]([C@](C)(NCCC#CBr)C(=O)O)C1 2305990768 YDBOJIFKLMZGRQ-WBMJQRKESA-N 405.289 1.801 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs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c2c(cc(O)c(CSC[C@H](NC(C)=O)C(=O)O)c2O)C1=O 15215943 UJIIOEFFGQEVBT-NSHDSACASA-N 409.416 1.220 30 10 HDEE biogenic,in-vitro COc1ccc(N2C[C@H](C(=O)NCC#Cc3ccc(C(=O)N(C)C)cc3)CC2=O)cc1 96348392 HHOFGTBPXDJJPJ-LJQANCHMSA-N 419.481 1.918 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1Br)C(=O)O 161259145 UHANWDKFHYCSJD-VIFPVBQESA-N 411.071 1.966 30 10 HDEE N#CCC1(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 431155502 HABLZJCZAFRSFM-AWEZNQCLSA-N 406.464 1.806 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 436578552 AEDIWLZDNGDUGF-SFHVURJKSA-N 413.478 1.610 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 438953980 CFILDLQPENSBPT-KBUPBQIOSA-N 412.851 1.325 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N 443912000 ZYGHHIWWLIBTSA-MRXNPFEDSA-N 404.536 1.620 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 464046320 JSVWCEBANDRQGS-BBWFWOEESA-N 421.494 1.423 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1nnc2n1CCCCC2 464820166 DXLKAECRCSLYQN-LSDHHAIUSA-N 409.498 1.647 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1 465182899 IGHGWZQQHGMVTK-OAHLLOKOSA-N 408.462 1.531 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@]3(CCOC3)C2)CC1 469526268 ZDRLCUYLRNTIAR-PZJWPPBQSA-N 402.470 1.026 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCCc3nnc4ccccn34)CC2)c1C#N 472064797 UMOOQBOZQQDTGR-UHFFFAOYSA-N 407.482 1.107 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OCc3ccc(C#N)c(F)c3)cc2)CC1 479411549 ISSVKTWNURJCBN-UHFFFAOYSA-N 417.462 1.994 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C)CCO2 482499535 FFRDTBXHTXRXIW-CYBMUJFWSA-N 400.460 1.692 30 10 HDEE C[C@@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1)n1cncn1 505037856 GFXOGJTYZHYJRH-AWEZNQCLSA-N 409.450 1.569 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C[C@H]1CCCO1 505698977 FNFHNJNQTMDOHS-UKRRQHHQSA-N 414.531 1.249 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 508510790 VWRHLSDAJXNFLQ-UHFFFAOYSA-N 418.563 1.813 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1C1CC1 522110289 GRNHFPKKQRHZRM-UHFFFAOYSA-N 408.479 1.888 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)CC2)o1 530309226 IGMUAAOKEWOYKX-ASGWGFSCSA-N 408.502 1.696 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccnc(OCCN(C)C)c3)cc2C1=O 535675657 MMBHBNWXCBDAPM-UHFFFAOYSA-N 408.458 1.734 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CC1 536823655 VGNYERDJWFTBOD-UHFFFAOYSA-N 415.309 1.979 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)n1cnc(C#N)n1 537302790 HDVFTWCXZUTQBF-HNNXBMFYSA-N 411.466 1.023 30 10 HDEE C[C@H](C#N)CN(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CC1 542726026 IFYJWJIFKZDLKH-CYBMUJFWSA-N 412.450 1.723 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C 544081612 RVHUHPRJPMJIOM-UHFFFAOYSA-N 413.528 1.113 30 10 HDEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1OC 545501897 YHYAWNNRCFXMPA-KRWDZBQOSA-N 421.457 1.425 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc(Cc3coc(-c4ccc(F)cc4)n3)no2)C1=O 546304999 KFPLLNUDYHECIQ-UHFFFAOYSA-N 411.349 1.931 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(C(=O)OC(C)(C)C)cn1 549293407 IWVAXTCZCDSCRP-CYBMUJFWSA-N 409.450 1.444 30 10 HDEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 570648525 JFZCMDNJRNAWJZ-KRWDZBQOSA-N 417.477 1.925 30 10 HDEE COc1ccc(S(=O)(=O)N(CCCC#N)CCCN2CCOCC2)cc1OC 586172001 IZVGRBTVMDRFRW-UHFFFAOYSA-N 411.524 1.721 30 10 HDEE CCOC(=O)c1c(CN(CCOC)S(=O)(=O)c2ccc(C#N)cc2)noc1C 589263533 MCJCXELUQFYRGG-UHFFFAOYSA-N 407.448 1.869 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 603797771 GSQIBIQQWAVLOI-HNNXBMFYSA-N 417.556 1.570 30 10 HDEE CCOC(=O)C1(O)CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 610113204 ZFWUNHBBLDFKNR-UHFFFAOYSA-N 401.463 1.630 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccccc1S(=O)(=O)N(C)C1CCCCC1 679532243 NUZAYPDTDWKBGI-UHFFFAOYSA-N 423.535 1.897 30 10 HDEE C=CCOCCNC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 679586891 WZMOWEBCBJNSQF-SFHVURJKSA-N 412.508 1.470 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)sc1Br 717775015 FFMMZDNWCCREQN-LURJTMIESA-N 403.117 1.936 30 10 HDEE CC(C)[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 726152633 IRFXXBFEKLHDFI-QGZVFWFLSA-N 412.475 1.281 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@H]2CCOC2)C1=O 731560642 WLZBRMICAQXYMB-XJKSGUPXSA-N 409.483 1.946 30 10 HDEE N#C[C@@H](C(=O)CN1CCCC[C@@H]1CN1CCOCC1)c1nc(O)c2ccccc2n1 732210675 CQNPVJVWXDDSCC-AEFFLSMTSA-N 409.490 1.698 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732696548 IUQUNAJRPAMDAP-QGZVFWFLSA-N 405.524 1.920 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCN1C1CC1 732697445 YUJOXSMHNWLEDS-LJQANCHMSA-N 417.473 1.748 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCN1C1CC1 732706081 DNNMVHUUCUUKCA-GOSISDBHSA-N 407.430 1.669 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)C2=O 734291119 GKKHGNNLXGLRRS-CYBMUJFWSA-N 411.439 1.665 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CC2)C1=O 735225239 HTIUXRBZXUWKNS-MRXNPFEDSA-N 404.492 1.577 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(NC(=O)c3ccccc3)nc2)CCN1C1CC1 743909300 XCAUSKFEDGTYPO-GOSISDBHSA-N 418.457 1.471 30 10 HDEE C#CCN(Cc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1)[C@H]1CCS(=O)(=O)C1 744398314 FPANHKREYKBZOX-AWEZNQCLSA-N 421.475 1.385 30 10 HDEE O=[N+]([O-])c1ccc(CS(=O)(=O)NN=C2CCOc3cc4c(cc32)OCO4)cc1 746491930 MEUARJGIBQNBEP-UHFFFAOYSA-N 405.388 1.930 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(OC)c1 747249454 BVTKYZTUJDDMBH-LLVKDONJSA-N 422.322 1.269 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)CC1 752232698 FMLSXAKYSGYKNM-UHFFFAOYSA-N 416.887 1.165 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 755582496 OVCVGDQYNGQJMB-LJQANCHMSA-N 417.462 1.717 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 760814647 VFTGPWTWWDYGNE-IAGOWNOFSA-N 419.526 1.091 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C1CC1 768048946 KGBKWTVQPRRBHX-HNNXBMFYSA-N 424.326 1.797 30 10 HDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1CCc1nnnn1C 771540966 VEALJRSWQYXWOZ-AWEZNQCLSA-N 401.496 1.083 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C1CC1 780255426 KNTWPJNSCDIILS-RTWAWAEBSA-N 415.446 1.424 30 10 HDEE CN1CCC(n2c(=C(C#N)C#N)sc(=Cc3cccc4cnccc34)c2=O)CC1 782926447 RJIIFTWQWVEQDF-UHFFFAOYSA-N 401.495 1.751 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)OCC(C)C)CC2)n1 788815848 ZALGMBQHNISPNN-UHFFFAOYSA-N 404.511 1.996 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@H](COc2ccccc2)C1 790333060 IWXZNSJZLVJPKP-NXDJFEHLSA-N 400.435 1.002 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790652217 XRFMECUGDYBQSY-KBXCAEBGSA-N 401.529 1.482 30 10 HDEE C#C[C@@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 790704921 HCGHLEIXBORLDZ-IRXDYDNUSA-N 418.567 1.704 30 10 HDEE CSc1c(C(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cnn1C 791773124 IHECGUYRNLJXIT-CQSZACIVSA-N 424.486 1.901 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)cc1C(F)(F)F 793369358 CSOLUXITBKOFFH-UHFFFAOYSA-N 415.349 1.821 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC(=O)N2C(C)(C)C)cn1 796412391 GGOOMQWVTKHVBZ-FPDPHYFHSA-N 415.494 1.460 30 10 HDEE C#CCN(c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 809874873 AOXVWFVUSMNRDU-HZPDHXFCSA-N 418.519 1.981 30 10 HDEE COC[C@H](C#N)OC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 811363133 NBZPDKXYKMJKNX-GVIBCLJVSA-N 406.438 1.548 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)CC1 811870586 DZBIJXVSEVFPDA-IAGOWNOFSA-N 408.543 1.468 30 10 HDEE N#CC1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)C1 817559126 WNZJOERMJONGOJ-UHFFFAOYSA-N 414.281 1.066 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2Br)c(=O)n1C[C@@H]1CCCO1 916197294 PXLINEPLEIOZHV-AWEZNQCLSA-N 416.300 1.878 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NCCCOC(C)C)C2=O 916873255 VBZYOPHGDUAPKL-CHWWFWEZSA-N 406.483 1.127 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)Cc2ccccc2)cc1 920321853 CULBZAWFXMILCT-LJQANCHMSA-N 411.483 1.738 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)c1O 1084629522 MQNQCUANUFRMAT-UHFFFAOYSA-N 414.451 1.278 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(F)c(Br)c1 1127138463 ONGDYGJQKJIQNA-SNVBAGLBSA-N 405.231 1.996 30 10 HDEE C=CCn1cc(C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)nn1 1133894848 BMPPWPXCAYBQNJ-UHFFFAOYSA-N 403.464 1.725 30 10 HDEE N#C[C@@]12CN(C(=O)CSCC(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1134052869 QHHBPGIWQKRIIR-GUYCJALGSA-N 412.920 1.653 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1134243701 UMEWWCRJSZRFNY-OAHLLOKOSA-N 402.451 1.874 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 1136598021 QGQOETCYSNHUOI-UHFFFAOYSA-N 406.464 1.510 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(CC(F)(F)F)CC2)c1 1136663131 FSEFZCRJVKKMBV-UHFFFAOYSA-N 407.389 1.879 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1144429291 QQSLHGDPZOQWEH-HZYMWIRRSA-N 422.482 1.044 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)C1 1154958901 MCSFXGKHBUTSAA-PSCUFVCCSA-N 402.539 1.727 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)C1=O 1158884335 TUPCUSFLZTVFNY-SNVBAGLBSA-N 403.826 1.713 30 10 HDEE CC#CC[C@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1164670928 AUVUZASFLGWDJH-GCJKJVERSA-N 419.481 1.390 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3ccccc3S[C@H](C)CC#N)C[C@@H]12 1174641216 FXXLRQWTITZYQN-KKBFJZEXSA-N 423.560 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 1182822645 JZBXDBOUIWSDPH-ROUUACIJSA-N 401.511 1.869 30 10 HDEE CCCC(=O)N1CCC[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1184273806 XEVARTFMUNDGSG-HNNXBMFYSA-N 401.463 1.929 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)C[C@H]2COc3ccccc3O2)C1 1189040105 GDSSYMAYIKVKDQ-ZNMIVQPWSA-N 423.491 1.505 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2cc(C)cc(C#N)c2=O)CC1 1189537378 CQVIOWZNPVHBAU-UHFFFAOYSA-N 421.501 1.374 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)cc1 1192941194 JCXGMZKTDAXXHH-LJQANCHMSA-N 405.497 1.834 30 10 HDEE N#C[C@@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1221490409 CICXIOXMEBDFKK-DLBZAZTESA-N 406.508 1.589 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)[C@@H]1CCCO1 1226734223 FZRPPBUKZZFKRG-PMPSAXMXSA-N 421.494 1.219 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CC4(CCOCC4)CO3)CC2)c1C#N 1254375701 KJZUYPBAZXOJJO-HNNXBMFYSA-N 405.524 1.741 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 1286356224 MFXNADSTHWCHOW-INIZCTEOSA-N 414.535 1.788 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1286392447 MDXPIOSTPFRIDY-SFHVURJKSA-N 417.535 1.316 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1286448133 QGHOFCSZQFGYST-KRWDZBQOSA-N 401.536 1.754 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286461966 AOZXGLKNXZUSGV-OAHLLOKOSA-N 415.498 1.734 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C 1286740332 JGFDTPAPWCSWTK-QGZVFWFLSA-N 412.494 1.519 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286769724 OGSYRDMRTKCEPO-INIZCTEOSA-N 410.522 1.929 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286772312 AXDJWYUXBHZBPA-ZWKOTPCHSA-N 415.542 1.823 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(C)CC1 1286781336 QRITZBHMAWVPQV-SHARSMKWSA-N 412.560 1.205 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cscn2)nnc1[C@@]1(OC(C)C)CCOC1 1286793445 XZPNHPWFNNMPQJ-LJQANCHMSA-N 420.539 1.714 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCCOCC1 1286822824 HWJZEJMYAJAHSG-UHFFFAOYSA-N 424.498 1.824 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1286966651 VCJUKBHSZARLMP-ZDUSSCGKSA-N 403.512 1.359 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1ccccn1 1288815749 ABSKQFYYZNHIAJ-HNNXBMFYSA-N 417.539 1.656 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1288982314 SPEAQGMCQLVAKU-KCQYIYACSA-N 409.494 1.887 30 10 HDEE CN1CCN(C(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)CC1 1293002884 RRGBPOYWNQVOIS-UHFFFAOYSA-N 409.534 1.882 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(OC)CCOC1 1297188239 IUCRLSOJYXOXGG-HXUWFJFHSA-N 414.466 1.155 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)c1 1298230042 DKROBEDCPKQMFK-OAHLLOKOSA-N 400.460 1.308 30 10 HDEE COc1cc(-c2noc(CCC(=O)N[C@@H]3CCCN(O)C3=O)n2)cc(Cl)c1OC 1298541410 IAMOTMYVLKHWBI-GFCCVEGCSA-N 424.841 1.836 30 10 HDEE C=CCOc1ccc(CC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1298677554 XKKKAPAZEROTLZ-UHFFFAOYSA-N 404.488 1.979 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 1300077908 BGPORBAWNQRYDP-DOMZBBRYSA-N 422.532 1.655 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCN(CC)CC1 1300268011 MIRHBTODGCGPNQ-QZTJIDSGSA-N 417.602 1.680 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1300271166 HFBHMJUMOMONPP-CABCVRRESA-N 421.523 1.434 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1300396577 YUIOMDIQCDVTFS-OAQYLSRUSA-N 410.511 1.942 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300421794 RLPIGLNUPVIYNY-HXUWFJFHSA-N 412.519 1.399 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)c(=O)nc1O 1300434722 FMSUZHWLDHJPOE-LLVKDONJSA-N 408.340 1.383 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1300631179 MWSFPYGLYFQZEH-OALUTQOASA-N 415.563 1.943 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCS(C)(=O)=O)CC1 1300688898 MCWHWKQDCYPJIL-UHFFFAOYSA-N 421.954 1.788 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)N(CC)CC)CC1 1300719464 BUPITTPPBSDQBY-QGZVFWFLSA-N 411.554 1.969 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(OC)CCOC2)CC1 1300719670 LIKAULMPULCBLY-NRFANRHFSA-N 412.494 1.045 30 10 HDEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301057705 VNYUNUQVMHSTJU-UONOGXRCSA-N 413.457 1.772 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1C 1301339377 NNIXACGYTFACJN-QGZVFWFLSA-N 417.477 1.470 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@H](C)[C@@H]1C 1301589176 OQTSABCUGRVCET-RRFJBIMHSA-N 400.570 1.713 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301615619 QRLSHLLKZCXVJC-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1301967694 FSTJTTWPCDWQAU-JSGCOSHPSA-N 408.915 1.873 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1302502028 AVPBBMOGNOCZEU-IERDGZPVSA-N 412.494 1.447 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1COCCO1 1316186416 ASXQOWBBKWRPJV-FUHIMQAGSA-N 407.515 1.938 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1316241565 MHRVVJGROFMMMF-GOSISDBHSA-N 422.493 1.728 30 10 HDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1321741803 AHVYVEGSTJPCSY-AMGRQBIBSA-N 417.510 1.193 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1323986826 XXBVJEITRORTCM-MRXNPFEDSA-N 403.545 1.839 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cn1 1350180604 OWLGEELQMXBITR-UHFFFAOYSA-N 406.414 1.307 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cc(C#N)ccc2F)CC1 1350381869 VAGFHWXTARLMQP-UHFFFAOYSA-N 404.442 1.944 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1coc(C#N)c1 1354340108 RTCJLZJHWWWWFO-UHFFFAOYSA-N 405.432 1.823 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1358890251 MSRHVSITKUFPFQ-GJZGRUSLSA-N 420.514 1.181 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C 1358893557 XFYSZCZDTKTCTO-QGZVFWFLSA-N 403.552 1.963 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)c1ccsc1 1358943238 AXDNTDPVFQTXDA-FQEVSTJZSA-N 420.502 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN(C(C)=O)C1 1358986568 ZMDWKPOITHJTHY-QUCCMNQESA-N 415.538 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)nc1 1358998421 DXOLYTUDUDBIBY-HXUWFJFHSA-N 420.517 1.872 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1359012447 MQCDTDSQIYCXGA-LJQANCHMSA-N 415.563 1.947 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1n[nH]c(C)n1 1359025203 GXOZSPWRFRSOSL-SFHVURJKSA-N 423.477 1.546 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(C(N)=O)C1 1359077548 FKSLVXOJHVMKIR-MLGOLLRUSA-N 416.320 1.612 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1359150763 GFEBZKATFYZLQV-QEJZJMRPSA-N 417.963 1.988 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1COCCO1 1359269259 UWMHHQCQXHAAKA-GOSISDBHSA-N 408.466 1.515 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1360338830 KZVQTDXOBGCZAJ-UXHICEINSA-N 417.489 1.737 30 10 HDEE COC(=O)C[C@@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1435996751 CMPMCARWAJJWNH-XOBRGWDASA-N 419.865 1.793 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)C1=O 1439093685 LCDIJQDCIRMDQY-ZUOKHONESA-N 420.466 1.012 30 10 HDEE C[C@H]1C(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C(=O)N1C 1453745541 BLJCOPFYCSSAKR-IPXXKRIQSA-N 405.455 1.087 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)OC 1454718569 WQDPZEQCOLZSOP-QGZVFWFLSA-N 406.460 1.996 30 10 HDEE COc1ccnc(OC)c1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1455616382 BMKXSCXDKITLKF-LLVKDONJSA-N 404.448 1.555 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1S(=O)(=O)NCC#N 1455918909 PBLQPIBMJBRGOI-TXDAXLQXSA-N 421.519 1.499 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)CCc3ccc(C#N)cc3)CC2=O)C1 1456830604 ZKKAPXMDROIIAY-QGZVFWFLSA-N 412.490 1.827 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(N)=O)cc1B1OC(C)(C)C(C)(C)O1 1464763790 ZSSDMDARUQZVTC-MRXNPFEDSA-N 401.316 1.957 30 10 HDEE CC#CC[C@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1469815995 YJWZBGKSXKYGSP-SNVBAGLBSA-N 412.817 1.528 30 10 HDEE COc1ccc([C@H](CO)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470032198 FQPOEJXWBBPNAZ-PZJWPPBQSA-N 422.485 1.743 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1470336952 QHCLMOBAYMATED-IBGZPJMESA-N 408.455 1.416 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nnc2ccc(Cl)cn12 1470344894 SVGHNFJHVFDKBI-LLVKDONJSA-N 418.866 1.238 30 10 HDEE CN1CC[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[C@@H]21 1471214486 HYKURGLHHCULAS-ICSRJNTNSA-N 416.547 1.512 30 10 HDEE N#Cc1ccc(NC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)cc1Br 1476572992 HMSMGCIUUQZMAG-UHFFFAOYSA-N 418.255 1.880 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ncc(C(F)(F)F)cn3)CC2)c1C#N 1478675895 MNZIYWJKHQYWID-UHFFFAOYSA-N 408.388 1.441 30 10 HDEE CCOCc1nnc(N2CCN(C[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1503111536 ARGIMJZUXDDJIE-QGZVFWFLSA-N 400.483 1.629 30 10 HDEE C#CCCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1507573364 FYHBOPSJNZNEFY-XLIONFOSSA-N 424.567 1.747 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1507678005 BZGVALWXHSZQHI-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCN(CC)CC1 1507708817 MVJIOVYPKLHRIL-LJQANCHMSA-N 411.554 1.452 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOCC)CC1 1507721121 YUANJGIRGYPUSH-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507972633 YQOCLVZTXIAJOM-FQEVSTJZSA-N 400.483 1.954 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(N)=O)CCCC2)CCOC1 1508409906 CQAAOFQXTWKTOH-IERDGZPVSA-N 418.542 1.960 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1509956524 CILDIUGWZAGHQU-DOMZBBRYSA-N 404.421 1.941 30 10 HDEE COC(=O)[C@@]1(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@H]1c1ccccc1 1516425854 RQAAXARPQJBTMH-AVRDEDQJSA-N 407.474 1.596 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CO)c1 1519276871 KUKFHWKOMHREEV-FOIQADDNSA-N 403.458 1.985 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N[C@](C)(C#N)CN(C)C)CC2=O)cc1OC 1525356312 BGOWRDXCLRFSIZ-IIBYNOLFSA-N 402.495 1.055 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCO[C@@](C)(C#N)C3)nn2)C1 1536619954 VQQLARHYNHCLDM-LIRRHRJNSA-N 404.471 1.605 30 10 HDEE N#C[C@]12CN(C(=O)c3nc(Br)sc3C3CC3)C[C@H]1CS(=O)(=O)C2 1538764827 AOYWSJVKNQASKG-LKFCYVNXSA-N 416.322 1.793 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1538983694 VIDHLEIQWFOLEM-JTQLQIEISA-N 419.262 1.876 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539142969 ZUCIITDTCTULFV-ZWKOTPCHSA-N 400.527 1.286 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1539172415 ZFQOBFJXWSVWFL-OAHLLOKOSA-N 400.483 1.044 30 10 HDEE C#CCN(c1nnc(CC)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1539221237 ZAIALAFEDBXCJB-CQSZACIVSA-N 408.553 1.260 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1539396889 TWAITPQAWLCWQU-AWEZNQCLSA-N 420.420 1.436 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1I 1539432784 QEMNWNJBKDYVEY-CYBMUJFWSA-N 402.192 1.773 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540002058 ZOWNLNJIEWGHRE-WBVHZDCISA-N 401.467 1.284 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1540872960 HWDOOYTVOPCFLE-UHFFFAOYSA-N 423.521 1.061 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1541687003 CBEOJHDALGKCKI-GOSISDBHSA-N 421.505 1.542 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1541726174 VBMLMCRJUJKCII-AZUAARDMSA-N 423.489 1.302 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1541798018 ABUGFDQECVNGAS-GJZGRUSLSA-N 408.528 1.220 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1541997996 RICLREQUSYVOGW-INIZCTEOSA-N 412.519 1.300 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1546856269 AGIFGNOHXXEPPB-CRAIPNDOSA-N 423.521 1.681 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1552754327 CPNQKABBBPCMOG-DLBZAZTESA-N 412.523 1.772 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)C1 1554531424 FVBVBPPUZQVUBH-QFBILLFUSA-N 424.505 1.537 30 10 HDEE C#CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CSC1 1557439022 LXBHGVCVFHYETC-NSHDSACASA-N 406.451 1.949 30 10 HDEE COC(=O)[C@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC(C)(C)C1 1557543041 OEPUCVWMOQTWHH-FQEVSTJZSA-N 421.519 1.743 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Cc3cccc(Br)c3)C2)C1=O 1557784735 ASELAXLQYCKNAY-UHFFFAOYSA-N 420.263 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1558035574 KDOCTYOVEFRCIG-ZWKOTPCHSA-N 412.490 1.657 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OCCC)c2ccc(F)cc2C)CC1 1558074488 AXRWSVDWBPWBQY-GOSISDBHSA-N 411.499 1.214 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1558383040 SJKARSNKVFAZFT-HRAATJIYSA-N 417.462 1.476 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Br)c1C 1561149537 ZJQNPAPWPHHBFD-AWEZNQCLSA-N 420.350 1.710 30 10 HDEE CC(C)(NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)c1cccc(C#N)c1 1586087050 IZEKLBGGGCKRHU-UHFFFAOYSA-N 402.454 1.981 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCc2ccn(C)n2)c1 1587697780 XKSKUCJTXFNQKF-UHFFFAOYSA-N 421.505 1.847 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1587979360 POUKJXQBTGFOKR-CRAIPNDOSA-N 408.506 1.875 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NC(C)C 1588637317 DDMCEIARQBBVKK-UHFFFAOYSA-N 423.477 1.205 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2OCCC2(C)C)CC1 1588751139 IUJJCWAOYHPRGT-PGRDOPGGSA-N 417.554 1.501 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1589060789 YTYCBDRQFSSMKG-JKSUJKDBSA-N 416.551 1.187 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1589516311 ZILGLKFBUCZHRS-KXBFYZLASA-N 414.510 1.725 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NC(C)C)CC1 1594121841 GLQATGYWETXYDC-UHFFFAOYSA-N 402.524 1.951 30 10 HDEE C=CCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595452807 CKRCWWWRHKIGJF-NRFANRHFSA-N 418.542 1.889 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@]1(OCC)CCOC1 1595595429 UQHJLNNGKMVEEM-JXFKEZNVSA-N 407.515 1.238 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1607498602 VQFDOEJVYFVLHR-ZDUSSCGKSA-N 417.466 1.241 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1611138070 ZPPSXODGRMJUKX-UHFFFAOYSA-N 411.384 1.135 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(C(=O)OC)c2ccccc2)s1 1611390936 WYDNOVYVNMDWIP-LJQANCHMSA-N 422.528 1.960 30 10 HDEE CCOCc1nnc(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1616741362 OEDOWWOQFNGXER-LPHOPBHVSA-N 414.510 1.875 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2CCO[C@@](C)(C#N)C2)sc(C(=O)NC)c1C 1620622845 DCBWYQYKKXZPFF-SFHVURJKSA-N 408.480 1.146 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CN(C)CCN1C 1628389914 FULVEWWZRLRMQI-JOQOYGCGSA-N 403.914 1.315 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CCN1Cc1ccccc1 1628964873 DIYJGLGTULXQIH-SFTDATJTSA-N 424.476 1.082 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1629823328 BBHPZHHIPZGUEC-UHFFFAOYSA-N 416.375 1.982 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)c2ccc(F)cc2F)cc1S(=O)(=O)NCC#N 1630129462 CJOUIQBQJZZSFA-MRXNPFEDSA-N 409.414 1.539 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(C(=O)NCCO)CC2)CCCN1C(=O)OC(C)(C)C 1630819421 KNWFRRIVCOLGQF-OAQYLSRUSA-N 407.511 1.127 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 1631781221 HTTZERJDMSDHHG-UHFFFAOYSA-N 423.482 1.237 30 10 HDEE COc1ccc(CC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882415 IMSHQLKZGZGNLL-IAGOWNOFSA-N 421.519 1.409 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(Cl)s1 1632227298 BXJNMFSMOMOEMI-UHFFFAOYSA-N 406.913 1.483 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1634171564 NYYYAXASJMFJQM-CQSZACIVSA-N 421.498 1.506 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)n1 1634935154 FDPUUYKHOMPRAF-UHFFFAOYSA-N 400.398 1.376 30 10 HDEE CN(CC(=O)NCCC1=CCCCC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1635684342 VXRIUNUUTRPZBM-UHFFFAOYSA-N 418.519 1.190 30 10 HDEE CO[C@@](C)(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1635702034 YOJXIDVTJCPBTP-KKSFZXQISA-N 401.463 1.522 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1637455363 QATHZOYGKCOLLN-NRFANRHFSA-N 415.494 1.364 30 10 HDEE CNS(=O)(=O)NC1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)CC1 1639906843 HNKPKAXMIBRMDE-UHFFFAOYSA-N 418.475 1.389 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]c(C#N)c1 1641023897 JHJUJIRZAAKTTJ-CHWSQXEVSA-N 414.384 1.880 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@](F)(CO)C1 1641671882 AICOEQUKDBMFFD-OXQOHEQNSA-N 417.462 1.052 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ccc(F)cn2)CC1 1642514643 AJQFCZZGTGZJLN-UHFFFAOYSA-N 402.451 1.665 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CCCN1C(=O)OCC(F)(F)F 1643519583 DJVDWYSIAXJIKV-RNFRBKRXSA-N 402.238 1.824 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)C2)C1 1644321934 VOIDNUZYOGRYQH-CQXODWFYSA-N 405.495 1.693 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]([C@@H]4CCCCO4)C3)CC2)o1 1647783795 GHHVXEIXIUFLPB-MJGOQNOKSA-N 401.511 1.784 30 10 HDEE CCCCCCN(O)C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1651227633 QJAPRJWPABWDTQ-UHFFFAOYSA-N 411.524 1.951 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc(CN(C)C(=O)c3ccccc3)n2)c1 1651827577 CYHNPAAAJYJZMW-UHFFFAOYSA-N 417.429 1.275 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CN3CCN(c4ccccn4)CC3)C2)nc1 1652332361 VHLWYURRUAZVKD-IBGZPJMESA-N 405.506 1.573 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2C(=O)NC(C)C)c(=O)n1C1CC1 1653013577 DMSUFLUMXKTMKH-UHFFFAOYSA-N 409.446 1.302 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)nc1 1659379517 DEABXSNREZSKII-GOSISDBHSA-N 416.522 1.698 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1Oc1ccccc1 1681555360 AXIOROYPBRYRQM-ANSOJVFESA-N 419.503 1.191 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1685052442 YHIATLJQNGZJSV-DLBZAZTESA-N 409.527 1.866 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1689910519 ISZUYDXGHQWHBD-OAHLLOKOSA-N 416.507 1.352 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689998608 QSMIGGWKQIQEKN-IAGOWNOFSA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1689999786 IIVDXFMDPAKSDA-CQSZACIVSA-N 419.482 1.157 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1690031260 DYOICGFUVJNFKJ-UHFFFAOYSA-N 413.547 1.995 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C1CC1 1690082972 VLYQQGIHJCAOKI-UHFFFAOYSA-N 400.508 1.255 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC=C 1690096051 LMNZNXQCNKRNOA-UHFFFAOYSA-N 403.508 1.467 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690105161 VPCKASUVFPEWOY-SJORKVTESA-N 409.556 1.131 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cc(C)cn2)CC1 1690129343 VFJVLOKJPYHMQH-UHFFFAOYSA-N 419.533 1.838 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccco2)CC1 1690148842 WYPVDRVLRHVCGU-UHFFFAOYSA-N 404.474 1.871 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690172609 KAWXLENZICBYDV-RBUKOAKNSA-N 419.595 1.697 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1690298973 AAWMGZIGMRLYOE-UHFFFAOYSA-N 423.481 1.438 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1690526729 CTLJJLWRLCZTLH-YWZLYKJASA-N 423.514 1.360 30 10 HDEE C=CCN(CC=C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1690591182 IXZGNJRUPGCTSA-UHFFFAOYSA-N 417.539 1.505 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 1690620376 ZNQMFRAEKMYZJU-UHFFFAOYSA-N 403.531 1.428 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1694739641 HINMGWWCUASNJQ-UHFFFAOYSA-N 420.477 1.343 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705553441 YBMSGYSQDSMVHM-INIZCTEOSA-N 418.519 1.724 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705639322 LWSNCOKGOONTQV-HUUCEWRRSA-N 401.433 1.505 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705649152 MHUYPAIORJCBQI-WMZOPIPTSA-N 410.522 1.912 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705662999 SHQMNVMUCHLOEM-WMZOPIPTSA-N 401.536 1.870 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705735660 VJJGIHFYTIMFGO-ROUUACIJSA-N 407.515 1.106 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1705736802 CTPYLBGPJZOKSR-INIZCTEOSA-N 410.540 1.532 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCSC2)CC1 1705781438 ZMAOILAVVWMTDG-SUMWQHHRSA-N 415.585 1.159 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](COc2ccccc2)C1 1705903114 QNFOXSHCMXDREO-QZTJIDSGSA-N 411.506 1.990 30 10 HDEE CCOc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1710499212 ICPBNJIXLSFNGD-KRWDZBQOSA-N 412.494 1.901 30 10 HDEE CCOCc1nnc(N2CCCC[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710719384 LQVOVPFRAVXTLP-RAJOGRCSSA-N 402.499 1.967 30 10 HDEE CS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1712702126 HJYLJRYLLRHIOG-UHFFFAOYSA-N 422.536 1.054 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1722295174 JLOLMQBCQYHFJW-ZBFHGGJFSA-N 423.564 1.373 30 10 HDEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722311904 NJGZWYQBNUSSOB-HNNXBMFYSA-N 402.886 1.748 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(Cn2cncn2)CC1 1722319038 UYJZEUBKLKTROS-UHFFFAOYSA-N 410.526 1.712 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCCn1cnnn1 1722349188 XGAJNXMNODZFGG-UHFFFAOYSA-N 401.272 1.854 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCCNC(C)=O 1722355674 AGHXACNXRRBLMO-UHFFFAOYSA-N 423.565 1.238 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1722416980 SVCHGDKIYZDZEN-GOSISDBHSA-N 402.543 1.361 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1722631118 DHDVUMZMZQWXDT-GFCCVEGCSA-N 414.919 1.638 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1723121356 FKWLLUUHXBKZEA-LVCYWYKZSA-N 420.533 1.971 30 10 HDEE C[C@@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1723967752 ALWJOFOEGHIBKC-HNAYVOBHSA-N 407.540 1.471 30 10 HDEE CCO[C@@]1(c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1728780276 OWHRGRFCOJTVRZ-XOBRGWDASA-N 414.466 1.110 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCCCN2CCOCC2)CCO1 1731188777 IPFHEAHPUIVRDK-KRWDZBQOSA-N 414.485 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC 1740536881 NYXIMKLPKUQEGQ-ZDUSSCGKSA-N 401.467 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1740558341 UTENUDROBCYDHA-OAHLLOKOSA-N 423.477 1.535 30 10 HDEE C#CCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1740595128 MQNHPUUNNKCTHH-LJQANCHMSA-N 411.506 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1740629344 KEKBFOIOVMXZHU-UHFFFAOYSA-N 410.522 1.380 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1740638395 MPJQZRYHICUSBW-RTWAWAEBSA-N 412.582 1.519 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1740666191 FXESSMPOVSDMSI-UHFFFAOYSA-N 418.457 1.718 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1740669257 TYXWQJLFQBTGNL-MRXNPFEDSA-N 414.510 1.434 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](CC(C)C)N(C)C)CC1 1740698858 NWSYLLKCJCMLPA-LJQANCHMSA-N 415.586 1.132 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 1740698874 OJDGQXDHGQUCHK-UHFFFAOYSA-N 419.595 1.591 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc3c2OCCCO3)CC1 1740700014 CAOQPXMTALBNFI-UHFFFAOYSA-N 411.506 1.779 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1740937598 KAAYPCUZNYJCRY-INIZCTEOSA-N 400.483 1.582 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1CCOC(C)(C)C1 1740958637 RZZWIKYIOWZDNW-KRWDZBQOSA-N 420.558 1.369 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1740960873 DTRARNSVVIGTIH-UHFFFAOYSA-N 416.501 1.661 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1741188101 WKPWPGDPFBMJSN-HNENSFHCSA-N 416.526 1.602 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1747624345 VTEQUXMUSXRALM-ZZEZOPTASA-N 403.446 1.942 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCOCC2)CC1 1748196361 IFENRLGGNLHEGX-UHFFFAOYSA-N 424.505 1.321 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1748666152 ZACJQENUXLBVPH-OAHLLOKOSA-N 406.490 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1748671500 JVQZXTFIQVVNKP-ABSDTBQOSA-N 411.506 1.969 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC(OC)CC1 1748790850 NOPQNFJFNWLULC-MRXNPFEDSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1748817738 POTRCUPRQHTSBQ-MSOLQXFVSA-N 420.579 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2CC)n1CCS(C)(=O)=O 1748902149 BRQZLDYENSRNFF-UHFFFAOYSA-N 414.531 1.927 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1748929509 LGPHNTHOOLIAOE-DYESRHJHSA-N 416.547 1.938 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1 1748938054 ZZGZAHCYNCIGLJ-UHFFFAOYSA-N 400.479 1.867 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)N(C)CC)CC1 1748992834 HNSAILZUQLDABV-UHFFFAOYSA-N 410.522 1.111 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749033447 GBULAOFXPLSTIE-INIZCTEOSA-N 423.502 1.131 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749398556 KMTYRTLBQKLEOX-HNAYVOBHSA-N 407.540 1.601 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@]1(N(C)C)CCSC1 1749596514 ZOXRQBUKCOVZAS-LJQANCHMSA-N 403.556 1.811 30 10 HDEE CC(C)(C)C(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1750103374 JZTZQFSXLUZKAN-UHFFFAOYSA-N 420.477 1.943 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](C)OC)c1 1760127356 XDYMLICOUVCKBA-OAHLLOKOSA-N 412.494 1.507 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760148902 POCVRYDCVJJTFC-KRWDZBQOSA-N 419.493 1.297 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760157647 WQJLEWFXZKQFFB-UWJYYQICSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760179400 RHAWHUXWROKGRL-LJQANCHMSA-N 409.538 1.784 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2CC(C)(C)O)n1 1760252255 ONWOJGNICDJELQ-QGZVFWFLSA-N 402.499 1.383 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2nc(C)cs2)CC1 1760269539 KWJGHCGPHFIHOA-INIZCTEOSA-N 414.535 1.561 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2cccc(C)c2)n1CCNS(C)(=O)=O 1760298459 IUSPPWCFCHGBRQ-HXUWFJFHSA-N 417.535 1.707 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCCC2)CC1 1760382594 URBNQGRXXXXIRW-KRWDZBQOSA-N 410.588 1.921 30 10 HDEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760424797 VAJIBCANDXAAFQ-KRWDZBQOSA-N 408.506 1.757 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1760445376 IBAXSFWKQKZTGZ-UHFFFAOYSA-N 412.485 1.494 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C2CC2)C1 1760541707 GPXINBMLJRHYGC-JFIYKMOQSA-N 423.583 1.444 30 10 HDEE CC(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1760600790 DZWNXWKGNZPBSI-UHFFFAOYSA-N 410.478 1.312 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)CCOC1 1761291907 QDRZCWRBLHWBHN-KDOFPFPSSA-N 415.441 1.329 30 10 HDEE CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1764966130 JOJZINDDBXSMAA-WPTSPKKTSA-N 418.498 1.375 30 10 HDEE CCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1766532382 ZZKSOOXSFYUENP-QZTJIDSGSA-N 413.478 1.604 30 10 HDEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766932900 SDYMPDYLADDHAD-SFHVURJKSA-N 412.542 1.038 30 10 HDEE Cn1cc(N2CCN(c3nnc(CC(C)(C)C)n3Cc3ccc(C#N)o3)CC2=O)cn1 1769017374 GBYRRWAPPNSZHT-UHFFFAOYSA-N 422.493 1.966 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(F)c1 1770051324 MWKVOSVOODLHCC-GOEBONIOSA-N 419.457 1.927 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1771188787 QUHPRFLKVRWVMT-PJIJBLCYSA-N 408.478 1.359 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 1772792064 GHOWJXLUJBTDJN-UHFFFAOYSA-N 412.379 1.362 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)C1=NN(c2nc3ccccc3[nH]2)C(=O)CC1 1772792354 LMVCVSJXBAFNTF-UHFFFAOYSA-N 403.354 1.800 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCc3ccc(C#N)c(F)c3)cc2)CC1 1850111221 OBLFGODMOMWSBK-UHFFFAOYSA-N 408.433 1.932 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(CC#N)CC1 1851157163 IDNHOXWMKOVLPZ-UHFFFAOYSA-N 421.519 1.872 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H](C)Cn2nc(C)c(Br)c2C)NC1=O 1851578339 IOVRYDWEGIQVGP-QMMMGPOBSA-N 410.272 1.219 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)NN1c1ccc(Cl)cn1 1852497276 ONIJISXMQLBYGE-CHWSQXEVSA-N 405.886 1.791 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c(C)c1 1853390419 VNPNBNGPNBYRGT-QGZVFWFLSA-N 404.474 1.667 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)C1=O 1853991610 MGJDVQJCCGYHSM-AEFFLSMTSA-N 403.504 1.746 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)c2cc(Br)ccc2Cl)CO1 1854121339 UIQBRQVGIWMQKY-SECBINFHSA-N 409.645 1.728 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854520188 MSNGTAYGEBWKRP-HNNXBMFYSA-N 405.476 1.265 30 10 HDEE C[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854813997 LZKREGBQFUJCCI-GJZGRUSLSA-N 415.471 1.520 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3noc4ccccc34)C(=O)C2)C1 1854966692 GFJFNQDJCFHTPU-IAGOWNOFSA-N 409.490 1.808 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N(C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1855662722 GFEHHJUTVRPGLK-MSOLQXFVSA-N 403.504 1.507 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1856096317 DMLCTTLWURPLRW-HUUCEWRRSA-N 416.547 1.652 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1=O 1856749220 YFESFZYSRUBAJQ-RTBURBONSA-N 409.490 1.273 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C[C@@H]1CCCCO1 1856891224 RVHNQRNQACCSMH-INIZCTEOSA-N 419.503 1.986 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCCN([C@@H]4CCOC4)CC3)CC2=O)cc1C#N 1856940017 CMOINLWVSINMIQ-GHTZIAJQSA-N 410.518 1.652 30 10 HDEE CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(C#N)nc2)cc1 1866038498 FYIRXVFAKWIHLR-UHFFFAOYSA-N 401.448 1.994 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 1866633071 IBDIWJFGFWBOKL-AWEZNQCLSA-N 414.487 1.874 30 10 HDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 1870156551 SLIOQWNHSPKIJD-UHFFFAOYSA-N 423.301 1.936 30 10 HDEE COC(=O)c1sc(C2=C(N)N(C[C@@H]3COc4ccccc4O3)CC2=O)nc1C 1872724710 OTPDIEAWUCFPQV-LLVKDONJSA-N 401.444 1.590 30 10 HDEE COc1cccc(C2=C(Nc3ccc(C#N)cc3)C(=O)N(CCNC(C)=O)C2=O)c1 1873214429 JUMQRAULOYXUAB-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE O=C(O)c1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 1873529429 SJQGWDSDZZXASC-KXKLRXOYSA-N 410.839 1.401 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc[nH]1 1874433692 STOGRFVHMKNYNX-FBCYGCLPSA-N 404.481 1.312 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)cs1 1890354595 XRQCUQQSKUMTQM-GFCCVEGCSA-N 400.460 1.603 30 10 HDEE COCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(C#N)s2)C1 2118164829 UHOLXRGMVCUYHK-UHFFFAOYSA-N 401.510 1.970 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCO1 2118167500 BGRORAXRSJUUJF-NWDGAFQWSA-N 401.510 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)c1ccc(C#N)cc1N)C(F)(F)F 2162583060 UQRKJLUKHVKJHP-GFCCVEGCSA-N 408.402 1.874 30 10 HDEE CC(C)(C)OC(=O)NCC1(CNS(=O)(=O)CC2(C#N)CCOCC2)CCC1 2174780047 PPPGAEXMZLPCKI-UHFFFAOYSA-N 401.529 1.921 30 10 HDEE COC[C@]1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCCN(C(=O)OC(C)(C)C)C1 2174781745 IVGQMOZHWSWEAK-YOEHRIQHSA-N 402.517 1.082 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)[C@@H](C(=O)O)C1)C(F)(F)F 2180580155 ZDNDMXBBZNAJMT-ANLVUFKYSA-N 400.222 1.554 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217476704 SKLWKUXRGCAIJY-AWEZNQCLSA-N 422.287 1.826 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243677293 UMHRDYAVJYPVSO-UHFFFAOYSA-N 408.304 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245256299 YINJYBVSLWPSJG-MMQHEFTJSA-N 414.283 1.610 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247814799 UQHNARYFTFWMHK-MAUKXSAKSA-N 410.327 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247835930 STVQCPKZROYJQA-AWEZNQCLSA-N 418.303 1.515 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247845846 WLNGEEFZHIHLEV-INIZCTEOSA-N 412.343 1.970 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921422 OOOMOBKOOULPHN-RYUDHWBXSA-N 423.323 1.146 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)n1 2248243494 ATPJTYTXVRJGCE-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NC3[C@@H]4CN(Cc5ccccc5)C[C@@H]34)nc2)OC1(C)C 2255842609 UUEOPDZABXXRJI-QZTJIDSGSA-N 420.322 1.636 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2255948751 PKNZCRPIWDDEKX-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE Cn1c(Br)nnc1CCNc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266763093 CXGDSKDBQJHTHV-UHFFFAOYSA-N 408.109 1.926 30 10 HDEE C#CC[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270506552 BOXYQLLOYXJCKL-QZTJIDSGSA-N 422.503 1.662 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CN(C)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282316664 GKPSGEPRPAALDM-OLZOCXBDSA-N 400.375 1.584 30 10 HDEE C[C@@H]1C[C@@H](CN)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331872 SSHTYHJIWJADKV-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE C[C@H]1C[C@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334199 YLMVQZFBLARFMA-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CCN([C@H]1CCN(C)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337931 NUZQDVWHKYKTRP-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CN 2282343947 IVWNSDLREPFBIO-GFCCVEGCSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(F)C[C@@H](N)C3)cc2Cl)OC1(C)C 2282825507 KHKCVMUOYQDLLQ-DXPFQBAHSA-N 424.756 1.808 30 10 HDEE C[C@@H]1[C@@H](N)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828357 MYEVSYREWQBNDT-RISCZKNCSA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CN(C(C)C)C1 2282832217 LNMCTORAECZRRJ-UHFFFAOYSA-N 400.375 1.727 30 10 HDEE CN([C@H]1CCOC[C@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848252 LECNJKXBUMNRKP-NEPJUHHUSA-N 405.322 1.795 30 10 HDEE CN1CCC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282854676 UUXKQZUVASIUMQ-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1OC 2282862064 YCZTVPXQNORQGT-CHWSQXEVSA-N 403.331 1.082 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCS(=O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282870516 SXYCVZAKRCCQNR-UHFFFAOYSA-N 419.399 1.417 30 10 HDEE C[C@H]1CC[C@](CO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883932 HWJXWYMNBCVHBF-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE C=C(CS(=O)(=O)N1CCSC(C)(C)[C@@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284395525 MFTJOXMBGXPMNV-LBPRGKRZSA-N 405.347 1.784 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284403150 QSOHMJVYGYXCBM-PWSUYJOCSA-N 401.315 1.531 30 10 HDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccn1 2296940725 GIZRRFKBHAEGOL-IBGZPJMESA-N 409.442 1.836 30 10 HDEE CN(CCN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2300229139 SRHYQZTYUHUCKC-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@](C)(NCCC#CBr)C(=O)O)C1 2305990765 YDBOJIFKLMZGRQ-BLLLJJGKSA-N 405.289 1.801 30 10 HDEE COc1ccc(-c2nnc(=NN=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)[nH]c2O)cc1 2323288848 KYRWJDYQGOYGNY-UHFFFAOYSA-N 412.362 1.743 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2329035132 DJPOCZAUEMGWDR-ZDUSSCGKSA-N 402.480 1.545 30 10 HDEE CC1(C)OB(c2csc3c2CN(C(=O)NCS(C)(=O)=O)CC3)OC1(C)C 2361645623 IXMQOUNIDSDXEV-UHFFFAOYSA-N 400.331 1.117 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@H](CC)NC(=O)OC(C)(C)C 2365212126 QPNGRURAZFDKKD-KHYOSLBOSA-N 404.573 1.845 30 10 HDEE CCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2367297281 PIVQVBXUTGXGDK-MWDXBVQZSA-N 400.541 1.188 30 10 HDEE COCCNC(=S)/N=C(\NCCc1ccc(O)cc1)Nc1nc(C)cc(C)n1 14158911 AMTQBZNKXJDQOH-UHFFFAOYSA-N 402.524 1.920 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nc(-c3ccc(C)cc3)n[nH]2)CC1 53479529 YGRVAMYYHTYNIE-UHFFFAOYSA-N 414.535 1.319 30 10 HDEE N#CCCN1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1 62040729 FPEQZSOATJBHNP-OAHLLOKOSA-N 414.491 1.842 30 10 HDEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)C(=O)C2 238857184 KBNMTAOGKUIAFR-AUSJPIAWSA-N 418.519 1.917 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254391839 ZKZHDSBLWYBIHH-GJZGRUSLSA-N 424.500 1.746 30 10 HDEE C=C(C)Cn1c(NN=Cc2ccc(O)c(OCC)c2)nc2c1c(=O)n(C)c(=O)n2C 254742830 WMIXOQQBMYMTOZ-UHFFFAOYSA-N 412.450 1.560 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 429307037 IUAXYEOFPGFCIW-CABCVRRESA-N 416.478 1.567 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cscc3C#N)CC2)cc1 432046555 JLKOMHGGLLUMQY-UHFFFAOYSA-N 403.485 1.969 30 10 HDEE COC(=O)[C@@H](O)C1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446622568 DRSMVZCPZMDEPQ-ABHNRTSZSA-N 416.478 1.599 30 10 HDEE Cc1nc(SCCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 468212868 ZCFRAQDOVPKDNI-UHFFFAOYSA-N 420.520 1.000 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)c(F)c1 481019904 GQPPDBTUPUTYPY-CQSZACIVSA-N 408.407 1.285 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCc3nc4ccccc4oc3=O)C2=O)cc1 489234150 IDUYMXHIQHVQAL-SFHVURJKSA-N 416.437 1.910 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)CC1 503608424 GQBOQXGGCJGIJS-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 505620643 GWODHDPFDHVXKS-INIZCTEOSA-N 411.462 1.986 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](O)Cc3ccccc3)C2=O)cc1 506274176 XWAXMWPUAFWTEX-RBUKOAKNSA-N 406.442 1.483 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1 512598341 TYLSNJMACOXWEU-MRXNPFEDSA-N 416.547 1.208 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 512659070 CPJYJHCVTPBGJN-VQTJNVASSA-N 405.506 1.865 30 10 HDEE CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 522566411 HEUYBGMXKPMAKJ-UHFFFAOYSA-N 420.516 1.009 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCCN2C(=O)CCC2=O)cc1 523673455 FGECELYNUXEOHI-OAHLLOKOSA-N 400.460 1.327 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 541096973 DQXMOQMCUDDURV-LBPRGKRZSA-N 408.871 1.553 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C)(CN4CCN(C)CC4)CC3)cc2C1=O 542675883 IBNMRWZKNJJQRB-UHFFFAOYSA-N 424.545 1.958 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(O)n[nH]3)CC2)cc1Br 555432694 OOABDLXCNGZTEE-UHFFFAOYSA-N 412.269 1.713 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 585227125 NPUZXMOBGBWUOJ-UHFFFAOYSA-N 422.445 1.091 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)c(F)c1 585722379 YNRXWIOZFDJSFW-UHFFFAOYSA-N 409.465 1.252 30 10 HDEE C/N=C(/NN)Nc1cc(I)cc(I)c1 606301947 UPLJEILMVWLCSN-UHFFFAOYSA-N 416.004 1.757 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1Cc1ccccc1 609739282 QJPPFOIGGURWHF-UHFFFAOYSA-N 407.470 1.655 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)CC2 610641557 MPDHETNLJLWXMO-UHFFFAOYSA-N 407.478 1.267 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCc2[nH]nc(C(F)(F)F)c2C1 610987329 CIEFFQVGPQYTGI-NEPJUHHUSA-N 419.411 1.932 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 619105741 KIFZQJPVXVMXOT-UHFFFAOYSA-N 413.503 1.197 30 10 HDEE C#CCN(C(=O)c1ccc(Oc2ccc(C(N)=O)cc2)cc1)[C@@H]1CCS(=O)(=O)C1 729333055 JIHVALDRYGKVKK-QGZVFWFLSA-N 412.467 1.840 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(Cl)c2N2CCOCC2)CCN1C1CC1 732707077 UHNUOEPEYCNARW-OAHLLOKOSA-N 417.897 1.314 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 733673224 TUEJUZPXSLXTBO-OQKWZONESA-N 404.492 1.358 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)[C@@H]1CCS(=O)(=O)C1 742573420 NHFPMDKFSUPCML-LSDHHAIUSA-N 418.544 1.557 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1C#N 746859280 OFDHKZWOTNQDAP-UHFFFAOYSA-N 415.471 1.359 30 10 HDEE CNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 751922702 PFGZZJBRKZLDLM-ZBFHGGJFSA-N 419.551 1.129 30 10 HDEE C#C[C@H](CC)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 754354773 VQFYJIRPYBAKNJ-GFCCVEGCSA-N 401.282 1.330 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)n(CCC#N)n1 755126524 UDTYKSOSSQEWGN-AWEZNQCLSA-N 404.471 1.559 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 767997433 FVCINOGEPWLRTG-MRXNPFEDSA-N 424.519 1.583 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774194454 FRJTVGPSYGKIJS-RTBURBONSA-N 423.510 1.031 30 10 HDEE C#CCN(C(=O)N[C@H](CCCC)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774251129 NFTLBZBLHIOCHB-CVEARBPZSA-N 415.556 1.902 30 10 HDEE Cc1nc(CN(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)no1 781439605 CSVXJRXJXMTZSW-PGMHBOJBSA-N 406.468 1.855 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@H]2CCOC2)C1=O 784124704 KPYBLWLJHHDQPM-WFASDCNBSA-N 404.492 1.280 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(NS(C)(=O)=O)c2)n1 788607939 ZVBIXXPBNVOWBM-UHFFFAOYSA-N 419.507 1.877 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C#N)CC1 812158999 OHLWNQMGWRSFPA-INIZCTEOSA-N 420.514 1.973 30 10 HDEE C#C[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)cc1 812754129 JOZNSEQDUJMOTN-IBGZPJMESA-N 417.462 1.895 30 10 HDEE CC(=NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2c(c1)CCNCC2 814687036 MGRBOERYVISPAK-UHFFFAOYSA-N 403.464 1.767 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849491078 QVAKLKBTPCRZIU-NHCUHLMSSA-N 421.549 1.849 30 10 HDEE COC(=O)c1coc(-c2noc(CC/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 904955045 PPPMOLUXEUWYPF-UHFFFAOYSA-N 402.388 1.397 30 10 HDEE CCOC(=O)c1c(NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c(C#N)cn1CC 1129832861 CRQRBNGFLNMEKT-UHFFFAOYSA-N 420.466 1.590 30 10 HDEE CN1CCC2(CC1)CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CCO2 1143016863 WPMUBDVHNZUINS-UHFFFAOYSA-N 405.539 1.960 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)c(F)c1 1148802252 PZLUNBCVFLFDMV-CQSZACIVSA-N 420.441 1.627 30 10 HDEE C#CCOCCNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1152294119 YVTDSSQYNGJAER-OAQYLSRUSA-N 408.454 1.652 30 10 HDEE CC(C)(C)c1cc2n(n1)CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)C2 1157997841 SKFXBXFQZHTOEO-UHFFFAOYSA-N 415.519 1.652 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1 1158043808 JDVAAZQRGXBYBK-OAHLLOKOSA-N 408.476 1.764 30 10 HDEE C=C[C@H](CC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1158189933 QQZCVWMIXIUUFW-OAHLLOKOSA-N 410.478 1.639 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nn(C)cc2Br)cc1 1158614571 MFMKIAWKDCKIMJ-UHFFFAOYSA-N 413.297 1.577 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 1161769904 YUYVUVPGABRCFR-RISCZKNCSA-N 405.398 1.405 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(CC)C(C)=O)nc2)cc1 1166348380 HWOHTHNPQAMLEV-UHFFFAOYSA-N 400.460 1.618 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1167585662 NUPCJOHEYCTYFL-JSGCOSHPSA-N 419.425 1.979 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1171717500 UDFQJNMGJRLWBQ-KRWDZBQOSA-N 423.535 1.560 30 10 HDEE CC(=O)Nc1ccc2c(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc(=O)oc2c1 1176709117 FRFAWYPXLUVVIC-IFXJQAMLSA-N 401.444 1.122 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)n(C2CCCC2)c1C 1198242027 PPHJRVLOQSLSLY-CJNGLKHVSA-N 421.567 1.887 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 1201241710 IAPPXRZHUNXIQK-UHFFFAOYSA-N 400.884 1.755 30 10 HDEE CN(C)C[C@@H](NS(=O)(=O)N1CCO[C@H](C#N)C1)c1cccc(C(F)(F)F)c1 1213315178 BACPDHFDIDIABK-HUUCEWRRSA-N 406.430 1.367 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC1 1219136038 XQPDFHCJIUQGSD-UHFFFAOYSA-N 422.327 1.900 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H](Cc2ccccc2)C(C)C)CC1 1226615078 TUEHDCNNPROOIT-LJQANCHMSA-N 406.552 1.296 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccncc3OCC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1227178417 LFYAOSXBUYQSGA-WFASDCNBSA-N 418.397 1.102 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1251366872 JLVDQTHPNZZODA-WMZOPIPTSA-N 409.577 1.843 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1255375830 IYDSEOBVDHPYFB-CGKYYLKJSA-N 419.503 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286281695 HUEJUNVLJAFMPI-BHYGNILZSA-N 400.479 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](F)COC 1286285669 ORQFKPXFFRSVJT-ZIAGYGMSSA-N 408.503 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1286303780 SPIKOLGSKIYCBS-ARFHVFGLSA-N 417.535 1.779 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286321579 SGHKEIZZYCQGNA-HNNXBMFYSA-N 407.482 1.609 30 10 HDEE C#CCCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286336563 YVPKAOZDMZMSBR-HXUWFJFHSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1286392445 MDXPIOSTPFRIDY-GOSISDBHSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C1CC1)N(C)C 1286426408 UXIXJSZXSPHEFB-GOSISDBHSA-N 408.506 1.809 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1286450282 CXIFMSGATPHXBI-UHFFFAOYSA-N 405.524 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2COCCO2)CC1 1286489163 IDBLOKIQRSRQIL-LJQANCHMSA-N 409.490 1.326 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286701222 SBHSQJVJIMLXLP-HNNXBMFYSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286784954 ZRKUVOHYBHYUMH-OAQYLSRUSA-N 407.478 1.081 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](C)C1 1286785258 CSBQYUHGJBYKIQ-KGLIPLIRSA-N 400.483 1.790 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccc1C#N 1290636931 ZWTXZIREIGJAKZ-UHFFFAOYSA-N 410.455 1.585 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1 1291650229 NRQMLNMMZYOOJL-QOCHGBHMSA-N 420.535 1.549 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCc2ccc(OC)cc21)c1cc[nH]n1 1295277903 JFYYJFXAVZZJDW-INIZCTEOSA-N 400.435 1.896 30 10 HDEE C=CCn1cc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)nn1 1295565084 DHDUUVASGAFCER-FQEVSTJZSA-N 408.506 1.413 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C#N)o2)C1 1296326845 NFAQGUWOVNPXKE-XJKSGUPXSA-N 406.512 1.823 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1297891854 CWASBTFHQQGEAL-DJIMGWMZSA-N 414.462 1.008 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN[C@H](c4ccccc4)C3)C2=O)cc1 1299399449 SYWDANZBUAXLGT-UXHICEINSA-N 417.469 1.936 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1300429812 CRWKDEFDTZSALX-RYUDHWBXSA-N 412.541 1.170 30 10 HDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@]1(O)CCN(C)C1 1300440177 OXBWQSNGNGGKDC-SFHVURJKSA-N 422.302 1.983 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1300501383 LEZQKWKBSGJJSS-MRXNPFEDSA-N 408.549 1.594 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2nsnc2c1 1300663915 LAUKABRYYRIECL-HNNXBMFYSA-N 411.491 1.368 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncn(C)n2)C1 1301564879 AHLUEHMHRNMHEM-KRWDZBQOSA-N 413.457 1.954 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOC1=O 1302000768 QCLITJBWANQZFA-HNNXBMFYSA-N 406.487 1.584 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2nccn2C(F)F)CCO1 1303003071 BTSHOQLVPSMONS-AWEZNQCLSA-N 400.393 1.633 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1303544647 TUWUPGFTGWICOT-KXBFYZLASA-N 400.504 1.859 30 10 HDEE C[C@H](CC(=O)NCc1nc2c([nH]1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1304056733 SNAMQHZLWAEZIJ-GFCCVEGCSA-N 401.492 1.422 30 10 HDEE CCOC(=O)[C@]1(C)CN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 1308017858 WOXLXJGZMIABQE-IERDGZPVSA-N 403.479 1.984 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCSC 1314388370 KRGINHUCOASMRI-UHFFFAOYSA-N 418.571 1.808 30 10 HDEE CCS(=O)(=O)NCCCn1c(Nc2cnn(C)c2)nnc1-c1cccc(C#N)c1 1314553515 QYOZODZESMAFSA-UHFFFAOYSA-N 414.495 1.623 30 10 HDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1314625517 GRWUCNFKLXKRGY-RTBURBONSA-N 424.505 1.455 30 10 HDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1316101163 IBMBFFFLKYZGJK-INIZCTEOSA-N 424.571 1.584 30 10 HDEE COCCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1316256898 ZGKLDWIMVVAWPS-INIZCTEOSA-N 404.515 1.802 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1316347876 IOLNJSXUIZYXFB-MSOLQXFVSA-N 415.519 1.867 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)c1 1319488914 HTNLMDSGLJLVQO-UXHICEINSA-N 415.490 1.912 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1CCN(C(=O)Nc2ccccc2)CC1 1339755403 GTIFEKWKEXBXGZ-FMQUCBEESA-N 411.462 1.716 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1349796812 OPSMMJPKJYXDRR-FQEVSTJZSA-N 419.547 1.479 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1358880383 KZSPKSVDVSFULE-LSDHHAIUSA-N 418.519 1.855 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1358921054 NWBFEGPENXSCSR-GOEBONIOSA-N 404.471 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1COCCO1 1358971386 SKNUCJMNYMGNSH-AWEZNQCLSA-N 404.268 1.524 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(=O)NCC 1358984104 IRMGXCNMYXWJMI-UHFFFAOYSA-N 421.505 1.551 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1358993194 HRRBICKTXILTPZ-FQEVSTJZSA-N 412.538 1.147 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC12CCOCC2 1359027824 XDYQNNVBJWEFMA-OTWHNJEPSA-N 418.538 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OC)C2CC2)CC1 1359044956 SFGSEXWJFDJMIM-ZWKOTPCHSA-N 401.511 1.173 30 10 HDEE C#CCSCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C(=O)NC)C1 1359053157 DAGPFVCQFJABBW-INIZCTEOSA-N 419.938 1.916 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)N(C)C 1359238623 RQVWRYCNXZKMEX-UHFFFAOYSA-N 417.495 1.108 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(Cl)ccc2C1 1359298910 PFNBHFIQKIGOMU-INIZCTEOSA-N 414.897 1.748 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(C)=C(Br)C1 1359301143 SUPUXNRTAOATSM-ZDUSSCGKSA-N 410.316 1.963 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359331386 XBFQMEBOKMWYEV-RHSMWYFYSA-N 418.523 1.340 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1451214039 BBRGJFLWAJYREI-QFQMRYFISA-N 407.536 1.805 30 10 HDEE Cn1c(N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(C#N)c(=O)n(C)c1=O 1458698133 HZGCUJAAPZEOFX-NRFANRHFSA-N 417.510 1.716 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(c3ncc(C)[nH]3)CCOCC2)c1 1464643633 AQWHMSZJJSQISP-UHFFFAOYSA-N 404.492 1.618 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nn2)COC1 1467706039 FGWNRAFIBNBUIA-KRWDZBQOSA-N 408.462 1.107 30 10 HDEE C=CCC1(O)CCN(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1468151638 KGFWQOFCXSDQKI-UHFFFAOYSA-N 410.515 1.178 30 10 HDEE C=C(C)COCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1469329149 JUMAXKDQOWQPCW-CABCVRRESA-N 407.433 1.837 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1469545394 MBDQAWUHGZESTB-FQEVSTJZSA-N 422.510 1.821 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2cccc(OCc3cccnc3)c2)c(=O)nc1O 1470360263 FEIXVAROYLEENQ-UHFFFAOYSA-N 405.414 1.153 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)cc(C(=O)OC)c1F 1474863432 VDGAVEVQWMPNGY-LLVKDONJSA-N 409.432 1.115 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@@H]1CCc2cc(Br)ccc2C1 1475128635 ZAJGMJALZKJMKE-OAHLLOKOSA-N 422.366 1.827 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1478779535 DBPHVRILZKMXDH-KRWDZBQOSA-N 416.478 1.967 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)cc1C 1492273584 GYPXZIZLRVFBRZ-KRWDZBQOSA-N 421.465 1.053 30 10 HDEE CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1503370146 AWOSDNIRNFDHTO-MSOLQXFVSA-N 421.505 1.346 30 10 HDEE CO[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1504519255 WNMQQFZJRBWZHL-FMBJTNBESA-N 414.510 1.618 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1507605204 RJLRSSMIVOBMLU-NQIIRXRSSA-N 405.543 1.356 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1507616873 OUCNVRAHNGPWRC-SFHVURJKSA-N 417.535 1.232 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1507617296 SJBBUMCZEWLCQA-CQSZACIVSA-N 404.492 1.315 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507636801 DOJJSNWWPREVJZ-HRCADAONSA-N 410.565 1.652 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCCN2CC)CC1 1507727710 SLQUODNQQGKAKZ-NRFANRHFSA-N 424.597 1.769 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1507964475 AGNBQKZCGXQCFU-KRWDZBQOSA-N 423.521 1.811 30 10 HDEE C=CCN(c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC)C1CC1 1507996002 ABDBCASJLZVRAY-UHFFFAOYSA-N 415.523 1.221 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1508013233 AYITULAQUJANLR-HTXNQAPBSA-N 408.466 1.383 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1508422749 FCBRYYMSPRHDHM-CABCVRRESA-N 417.539 1.285 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)s1 1511735232 DSVBXWRUPWHMNI-UHFFFAOYSA-N 414.539 1.933 30 10 HDEE C[C@H]1CC2(CCN(C(=O)CSCC#N)CC2)CN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1515178005 OENLMGVKEIXCMH-FWCYYJLNSA-N 403.548 1.896 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1516813965 GFXJRXDYKGXYRQ-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2c(F)cccc2Cl)CCO1 1521136577 GTNQZMGFVCNLRZ-ZDUSSCGKSA-N 418.860 1.970 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1527403341 RGZQKZQLBKDLGZ-LJQANCHMSA-N 423.535 1.679 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC[S@@](=O)CC(F)(F)F)CC2=O)cc1Cl 1528440974 PIGFYWYBXBQFLD-DQQVXTMASA-N 421.828 1.992 30 10 HDEE C#CCSCC(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1532445236 DNSFOVQIYDGOLP-OQLLNIDSSA-N 404.469 1.934 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1536901110 QYUMPKFXRWIJRS-MPGHIAIKSA-N 423.491 1.703 30 10 HDEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1538539492 HVMGMQNQIQARMD-KNBMTAEXSA-N 404.488 1.372 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3COc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1538540614 ZUAWENDSHOGNKJ-WNMQOVRZSA-N 411.277 1.322 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1539115638 AIPYAMSLHBJSEG-SJORKVTESA-N 400.527 1.775 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncc(F)cn2)CC1 1539127671 LXBBDGUMICLNGM-UHFFFAOYSA-N 406.469 1.933 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)CN1CCOCC1 1539165885 QDUSWMKSHBIRMP-QGZVFWFLSA-N 411.506 1.754 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)F 1539246041 NIJFBDNIZGSPEC-UHFFFAOYSA-N 417.416 1.416 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(S(C)(=O)=O)cc1 1539407990 WVFBIIBDNCOJCI-UHFFFAOYSA-N 413.503 1.811 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539611827 FIWBWGYNUYUSND-JYJNAYRXSA-N 418.498 1.038 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539744107 ZRRXXNPJMGGDJH-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539793320 CBEQYSNMCHVOLT-UHFFFAOYSA-N 416.917 1.232 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(OC)C1 1540900620 BPIVETILKGJLGE-LJQANCHMSA-N 407.540 1.890 30 10 HDEE CC(C)(C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1541163214 AALVUBVTJREHMK-WUKNDPDISA-N 414.510 1.719 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1541845552 HQMQTPNMOLEQIT-MRXNPFEDSA-N 420.525 1.222 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H](C)CC(N)=O)s1 1543109403 HJTGBUXMBBEVHW-GFCCVEGCSA-N 410.507 1.920 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OCCOC 1548185604 WSCLAWXEMFWAHP-KRWDZBQOSA-N 401.467 1.617 30 10 HDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1554498627 XYFCZGSLWGTMLN-UHFFFAOYSA-N 413.482 1.227 30 10 HDEE COCCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1555412523 FBKFGLFNXSXWGG-CQSZACIVSA-N 416.482 1.797 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1556071424 LLYAPXDULYISSU-KRWDZBQOSA-N 401.463 1.554 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCCc2nc(-c3ccccn3)cs2)C1=O 1557237565 IPMWBLZRZYMJTG-UHFFFAOYSA-N 413.459 1.231 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)c2C1 1557243073 KOHXAEZEFUANTO-UYAOXDASSA-N 420.517 1.804 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CCC(=O)OC(C)(C)C)c1 1558732763 ZCBZAGKZJZXOBJ-UHFFFAOYSA-N 424.519 1.419 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1558751193 PNRMYSSIFAOADQ-SJLPKXTDSA-N 408.495 1.915 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1 1558817725 SVSKNOINJNEKBO-GVDBMIGSSA-N 417.510 1.777 30 10 HDEE Cn1nnc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc21 1561844907 DLZBXLONENNYFG-UHFFFAOYSA-N 400.439 1.490 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)NC(C)C)c1ccc(Br)cc1 1564553468 VKGKKYZZBFQVDE-CQSZACIVSA-N 417.329 1.255 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)nn1 1564958009 ATBPDZZUEPJTMR-KDOFPFPSSA-N 414.514 1.385 30 10 HDEE CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565629671 FRWMYWIOLJIZSC-OHTQGHCMSA-N 408.499 1.959 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3cccc(OCC#N)c3)C2=O)cc1 1584858191 LUPYEYUQVXTRNO-OAQYLSRUSA-N 409.398 1.970 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2c3ccccc3CC[C@H]2N2CCCC2)C1=O 1585762327 GZWRAVHMUDEAMC-IEBWSBKVSA-N 410.474 1.231 30 10 HDEE CN(C)C(=O)CN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1587289875 KIEYPXCBBXEIIG-INIZCTEOSA-N 409.531 1.196 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1587793482 OBHSUWUTHZJITP-KNQAVFIVSA-N 417.554 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CN(C)C1=O 1588659152 DZBAOFRLFWYBFS-JOCHJYFZSA-N 411.506 1.442 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CC(=O)N(C)C)CC1 1588751205 JJZAYQWFNGNEKO-INIZCTEOSA-N 414.485 1.401 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)CC 1595536506 CCDOAUFPLXURCT-UHFFFAOYSA-N 409.494 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@H](C)CC)C1 1595715118 SIDDKWBWPIWYRJ-NVXWUHKLSA-N 401.515 1.765 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC(=O)N[C@H]3CCCC[C@H]32)nnc1C(C)(C)C 1595831812 WTDSYEHSHSEWPZ-LSDHHAIUSA-N 409.556 1.424 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(=O)OC)c(OC)c2)c1 1596185304 AHWZICVTPOHDOS-UHFFFAOYSA-N 416.455 1.323 30 10 HDEE CCOC(=O)c1nc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1Br 1612963742 WBBAFWRDYOHRMN-BONVTDFDSA-N 414.281 1.395 30 10 HDEE Cn1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1618495330 IBZAUYUTBMKSHK-QGZVFWFLSA-N 401.381 1.010 30 10 HDEE CNC(=O)CCn1c(N(C)[C@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1618815708 BZRCNVAQNMOPKW-KFWWJZLASA-N 419.530 1.923 30 10 HDEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1620222408 BOPAADWQUMDMHH-KGLIPLIRSA-N 411.553 1.195 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1620355153 HAUJCRWALYSIAJ-QGZVFWFLSA-N 405.886 1.650 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)O2)C1 1620635227 GXDYQZVUXMRYOH-HDMKZQKVSA-N 411.524 1.025 30 10 HDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1622327158 CZHUXHYBSICSAN-UHFFFAOYSA-N 408.509 1.043 30 10 HDEE CSc1nc(O)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)OC(C)(C)C)C2)cc1C#N 1632483245 CLWABBAXZMFGDF-BUXKBTBVSA-N 405.476 1.811 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 1632880600 UZKFZQZUMYHANY-HFUDNHEJSA-N 406.801 1.615 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 1632947859 PUQLSOMTHVXGBV-OALUTQOASA-N 400.523 1.675 30 10 HDEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1634011859 WLLHJERGAFROEF-UHFFFAOYSA-N 403.548 1.401 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2oc3ccccc3c2C)CC1 1634239792 OROFTCSOSROTJG-OAHLLOKOSA-N 404.492 1.597 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)OC 1634884603 KRRXFDVIIMFVCR-ULQDDVLXSA-N 408.495 1.983 30 10 HDEE N#Cc1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)ccn1 1635744365 COCSKXIGRHHLLA-KRWDZBQOSA-N 400.460 1.341 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1)C(=O)OC(C)(C)C 1636391583 SSRZSHHQIJJOTL-HNNXBMFYSA-N 400.435 1.246 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)C(=O)N1CCOCC1 1636415837 LWOKVLXOTGBBNW-VQTJNVASSA-N 414.506 1.915 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1nc3ncc(Br)cn3n1)C2 1636719898 XNHCLTKZIWOFED-UHFFFAOYSA-N 404.253 1.601 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1638848527 UNLQGXLAKXYKTH-QVKFZJNVSA-N 413.499 1.527 30 10 HDEE COCc1n[nH]c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1640927041 TVHHQMPSGJZAJQ-UHFFFAOYSA-N 405.256 1.338 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C(=O)OCC)CCCOC2)c1 1641719423 TXBJBRLXGUWIEA-IBGZPJMESA-N 410.492 1.241 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@]3(N(C)C)COc4ccccc4C3)CC2)c1C#N 1641801920 OIWKAHUHYNNVLC-NRFANRHFSA-N 411.531 1.907 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 1642023565 OCPGMSQADVVFGX-AAEUAGOBSA-N 405.398 1.405 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1643324167 WLGDMZNTKPMBGK-RBZFPXEDSA-N 403.483 1.467 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1644011852 MGXZOHIYWLTMSC-UHFFFAOYSA-N 419.547 1.948 30 10 HDEE C#CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)C1CCN(C(=O)OC(C)(C)C)CC1 1644788508 XFXFKXMUZRRYPU-UHFFFAOYSA-N 418.450 1.618 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21)C(=O)OCC 1648779441 LOZRABAQICRBFN-SFDCQRBFSA-N 403.932 1.903 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCCN3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1653068783 GDEUUEQIFTWOOG-ABSDTBQOSA-N 401.488 1.078 30 10 HDEE N#Cc1ccc(C2(NC[C@@H](O)CN3C(=O)c4ccccc4C3=O)CCOCC2)cc1 1655306213 GKRMQWNXHHXTPR-GOSISDBHSA-N 405.454 1.811 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@@H](CNS(C)(=O)=O)C2)c1 1655527689 ONIXAZKUQOPHOW-ROUUACIJSA-N 406.552 1.810 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1657559391 NVJKVLGTJBZZGI-UHFFFAOYSA-N 415.519 1.045 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnn(C4CCCC4)c3)C2=O)cc1 1668981836 ATZKEMBDYJCODF-IBGZPJMESA-N 413.503 1.949 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](Cc3ccccc3)c3ncco3)C2)c(=O)nc1O 1673944496 DZZMOLJAONLPEI-INIZCTEOSA-N 406.402 1.359 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@H]2C)CC1 1684436312 KDSOAMOJOXEPLE-FHLIZLRMSA-N 424.954 1.832 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 1684641033 DTYAVEORAUQNSS-UHFFFAOYSA-N 408.499 1.281 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H](S(=O)(=O)c3ccccc3)C2)CC1 1684822998 XIEKUUHELWHPQD-SAABIXHNSA-N 403.504 1.162 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1685709803 IEOQCWISHUMHTB-UHFFFAOYSA-N 407.536 1.794 30 10 HDEE C#CCOCCNC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1685865952 SBBABGSXIXOEAV-INIZCTEOSA-N 407.536 1.565 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1686929174 FNEHSROKQYQYEV-UHFFFAOYSA-N 407.540 1.150 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2[C@@H]2C[C@H]2CF)c1 1689873405 HHCXYMUYLXUTLN-FUHWJXTLSA-N 424.480 1.987 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1689886625 BCUADINGMGCFMA-CQSZACIVSA-N 421.523 1.679 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCC(OC)CC1 1689977829 DWJKETXPAPVOJP-HKUYNNGSSA-N 419.570 1.961 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1689986113 IYPUEQQBLCKNBP-LSDHHAIUSA-N 405.549 1.796 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1690058879 CURCZVXYGIFDKW-CABCVRRESA-N 419.507 1.188 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1690132019 DJRMHDPPABKHOR-HSZRJFAPSA-N 422.533 1.399 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncc(CC)s1 1690190268 PWYVDGUYFRUSFE-SCLBCKFNSA-N 422.580 1.948 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1690207513 ATKUZEKJEQDQGT-HXUWFJFHSA-N 419.526 1.939 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690408295 CVIWHXRKJUNDMF-UHFFFAOYSA-N 402.524 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(CCC)CC1 1690670463 BVJYGDOFQTUKHQ-QGZVFWFLSA-N 404.559 1.785 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694300889 ZVEMZHNTXQSXIZ-FBMGVBCBSA-N 415.498 1.322 30 10 HDEE CCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1695029611 IFQUDDVYTLIHOQ-RTBURBONSA-N 401.446 1.918 30 10 HDEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705542885 PZEBNARVWKEKEI-PXNSSMCTSA-N 402.520 1.439 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CCCOC1 1705582849 KYKIHXDWFPAKQY-IBGZPJMESA-N 419.533 1.952 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@H](COC)OC)CC1 1705645907 JDJAMEHTIDREMZ-LJQANCHMSA-N 411.506 1.572 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705768539 UNKYWHWIUJGLJM-MRXNPFEDSA-N 410.540 1.616 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)CC1 1705768848 BMJTZYRLAZNATR-GVDBMIGSSA-N 409.556 1.984 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCCO[C@H](C)C1 1705896044 AHYGGPLGBGVKPT-OAHLLOKOSA-N 415.494 1.880 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCO1 1712287139 CPHSBUYCRIZNGV-LJQANCHMSA-N 422.493 1.430 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722332415 KRNQNGLQDMRCQL-CVEARBPZSA-N 407.540 1.089 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1722356427 NUOZUVFSMIBKQE-QGZVFWFLSA-N 402.520 1.576 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CN2CCCC2=O)cc1 1722357336 ZDBLCPVUBAOBLD-UHFFFAOYSA-N 420.517 1.641 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722368592 TUSGVSMSUFZBRW-ZACQAIPSSA-N 424.592 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1722384932 VXAQJWINEUNKFM-UHFFFAOYSA-N 413.566 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCc1ccn(C)n1 1722386468 ZJRFIAZHDDKFRE-UHFFFAOYSA-N 404.474 1.915 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1722413330 LFDUAUDVUJJARL-AWEZNQCLSA-N 421.489 1.524 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)CC1 1722534443 PKXRADLBQAINSP-UHFFFAOYSA-N 422.537 1.917 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740570230 CPOSMJUFIXVYHR-GBESFXJTSA-N 414.554 1.580 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740626156 JWJPICJPMGVCNC-HLIPFELVSA-N 424.567 1.350 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CN3CCCC3=O)n2[C@@H]2C[C@@H]2C)n1 1740689161 QHMGTZZPZKYKGP-FUHWJXTLSA-N 411.510 1.464 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(CC)c2)CC1 1740705689 KYFNPJBUTJSPDI-SFHVURJKSA-N 411.510 1.013 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1740714853 MOZKYIOQTSIPQV-INIZCTEOSA-N 401.511 1.971 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740823993 ROMKONIWDXSEJA-GOSISDBHSA-N 424.505 1.911 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(C)n1 1740935030 ZLQRTFURSMUNNU-UHFFFAOYSA-N 410.482 1.519 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740958165 JPGXONNXWTYMTI-DLBZAZTESA-N 404.515 1.174 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCSC2)C1 1740963690 UFXNKSGRSZBHRF-IBGZPJMESA-N 404.540 1.036 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740966378 YBDLKQWEXNSNEZ-KXBFYZLASA-N 409.556 1.563 30 10 HDEE CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1741054935 SYNSFTJVJJOMQD-UHFFFAOYSA-N 408.466 1.321 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C1CCCCC1)N(C)C 1741678475 FJKXVUNKEWYETK-ZWKOTPCHSA-N 417.558 1.656 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC)CC1 1746512685 XHMFYDCXBLQTFQ-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1 1748863801 HNEDXBNRVLZYFM-INIZCTEOSA-N 415.519 1.300 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCNC(C)=O)CC1 1748999536 ZPHZHLUIKTYDMH-UHFFFAOYSA-N 410.522 1.447 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749225940 LUDXRXCIOKSBLP-IRXDYDNUSA-N 404.515 1.174 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2([S@@](C)=O)CCC2)C1 1749705004 FBHZYNNFYDSNRX-WQIZZMQYSA-N 402.524 1.818 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCCO 1750139646 CQLWMUVVDSUIMK-IRXDYDNUSA-N 407.515 1.531 30 10 HDEE CSCc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1750286110 AEHLTTYCDVDZEH-DLBZAZTESA-N 412.519 1.869 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1760206069 QDYJZDIAXQSPDY-SJORKVTESA-N 415.519 1.149 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N(C)CC 1760250883 RSSLEMHXBQPEQO-UHFFFAOYSA-N 405.449 1.711 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCSC2)CC1 1760255490 JJJADPTVBULMKY-OAQYLSRUSA-N 408.531 1.440 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1760285098 YTIAIXKBUKGRFA-UHFFFAOYSA-N 414.535 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1760554806 NGPYFTGZHPKVGE-UHFFFAOYSA-N 408.503 1.302 30 10 HDEE CC(C)NC(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1761247549 HEWUMYGKKCISPD-UHFFFAOYSA-N 408.510 1.663 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 1763111947 ASAOFGSJFGUMSQ-KGLIPLIRSA-N 418.452 1.641 30 10 HDEE CCc1nnc(N(C)Cc2cnc(C)s2)n1CCN/C(O)=C1/N=CC=CC1=O 1764724155 ZLKOONYPOAWBPC-MSUUIHNZSA-N 401.496 1.768 30 10 HDEE CCc1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764844039 IOOUGDJVAUXCGY-PIOKWQJESA-N 402.524 1.700 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1767575500 MEBVWUFFKAQANB-QVKFZJNVSA-N 412.494 1.441 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1769735922 KZHZUZAYWNIPTM-SFHVURJKSA-N 412.494 1.870 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCOCC1 1770757371 XUIXWPVVAWLFOO-QGZVFWFLSA-N 402.499 1.509 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N(CCO)Cc2ccccc2)o1 1771533239 DYCQHSQHCIMPMA-UHFFFAOYSA-N 420.473 1.912 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2F)CCO1 1771538746 HKIVGAQWGSCQBY-QGZVFWFLSA-N 412.469 1.901 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C)C(=O)C2)[C@@H]1c1ccc(C#N)cc1 1848699342 YMWCNWLSPRKFHZ-RBUKOAKNSA-N 400.504 1.252 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(F)cc2)c(C#N)cc1C#N 1850585680 XXKLBUHPBMFBQP-FUHWJXTLSA-N 407.405 1.943 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1851066501 LZOUCRDQEXJILE-IBGZPJMESA-N 405.564 1.755 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1851165765 QKUKEDRHZQLIJJ-YJBOKZPZSA-N 408.414 1.678 30 10 HDEE N#C[C@H]1CN(C(=O)c2nc3ccc(I)cn3c2Cl)CCO1 1851201292 XQSCJLZHGPSDRT-VIFPVBQESA-N 416.606 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852683250 FRAKMTOOCDHZFT-KRWDZBQOSA-N 415.494 1.628 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)c(Cl)c1 1853357616 KEZFJIGSLVYXGK-UHFFFAOYSA-N 423.860 1.661 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccncc4)C(=O)C3)C2)c(F)c1 1854195580 GWWODVBXFSCFHU-LJQANCHMSA-N 407.449 1.651 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1854313892 YKUPVZRBMQNJGZ-MAUKXSAKSA-N 423.510 1.614 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@@H]1C 1854330179 DXZAQIASCMMCRA-WMZOPIPTSA-N 405.520 1.393 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)C3CC(F)(F)C3)C2=O)C1 1854913518 NHJGDNUGYOBNSO-INIZCTEOSA-N 404.417 1.969 30 10 HDEE N#CCCCN1CCC([C@@H]2CC(=O)N(C(=O)COc3cncc(Cl)n3)C2)CC1 1855014976 PDROLFVHGPBNPY-OAHLLOKOSA-N 405.886 1.900 30 10 HDEE CC(C)n1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cn1 1856378685 CCXHYHJHXFGOOW-HNNXBMFYSA-N 408.462 1.483 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856551424 MTUWLTQNJBPCFR-HKUYNNGSSA-N 416.522 1.157 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2cnc(C)s2)C1=O 1856721372 IUWMTJVUGMDNGZ-SJORKVTESA-N 404.536 1.620 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1=O 1856721498 GYRNKLGXUXWUMU-SJORKVTESA-N 409.408 1.954 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCN(c3ncc(F)cn3)C(=O)C2)CC1=O 1856784633 MUZVEFOKZOSLQB-HUUCEWRRSA-N 403.458 1.242 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccncc3Br)C(=O)C2)C1 1856872144 LVVKDDWOTHXRIU-CQSZACIVSA-N 407.312 1.779 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2c(C)noc2C)C1)[C@H]1CCN(C)C1=O 1857069210 VTHFMUMDTRYXOF-WMZOPIPTSA-N 402.495 1.318 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3ccccc3-n3cnnn3)C1)CC2 1857198339 HFOKBGBDVOHRMC-CVEARBPZSA-N 405.462 1.277 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ncoc2C2CCC2)C1)[C@@H]1CCN(C)C1=O 1857270648 PSMZODWSEHKEBF-GOEBONIOSA-N 400.479 1.650 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867263595 IVEUBDJRRWOMTE-QGZVFWFLSA-N 405.414 1.255 30 10 HDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCOc1ccc(OC)cc1 1869931673 DKZCDTISOKBRLH-QGZVFWFLSA-N 417.487 1.708 30 10 HDEE C=CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870386660 YOBLFIVBQJMYKZ-LJQANCHMSA-N 411.506 1.704 30 10 HDEE O=C(O)c1ccccc1/C=N/Nc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl 1873528521 AYTKVCUREBNQMF-TUVHXFJTSA-N 410.839 1.401 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(O)c(O)c1 1874434911 DLWNLYJFXBOFGE-IFRROFPPSA-N 421.479 1.499 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)C1 1880977879 FYMMWJHNRFLSCL-ZDUSSCGKSA-N 403.435 1.730 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ncccc3F)CC2)CC1 1889238954 XSNLRONSQRSIBD-UHFFFAOYSA-N 402.514 1.871 30 10 HDEE C#CCN(CC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1987168372 HOXKVEVFVLRWGM-OAHLLOKOSA-N 423.510 1.439 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2060606111 YZQIKLOVIJIMBA-NSHDSACASA-N 414.304 1.843 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)CC1 2087883889 GQNYDPUSHPHIAC-HOTGVXAUSA-N 404.536 1.912 30 10 HDEE Cn1c(Br)nnc1CCNCc1occc1B1OC(C)(C)C(C)(C)O1 2128770953 NSQPTZFJXAXTDK-UHFFFAOYSA-N 411.109 1.802 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386900 JTNTZIZNUIXYBV-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247671261 QIBJZZZWCFCSGA-CABCVRRESA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827064 DTZFHKJZKWTBCX-JOCQHMNTSA-N 420.319 1.742 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247839418 XAQUSQXDNRGUAA-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2247858930 RKABLJJSLFXQIF-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247910315 KUUZHKFZFDLBOS-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247917964 MWIZIQMJCWQMSB-XBFCOCLRSA-N 418.303 1.447 30 10 HDEE Cc1cnc(C(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)c1 2247943841 JDWXKSQHBKSVJC-UHFFFAOYSA-N 409.295 1.735 30 10 HDEE C=CC[C@H]1CCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258156117 DLCWRNJSJXHKMI-DLBZAZTESA-N 410.492 1.825 30 10 HDEE C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267468956 ZCTITRVNQSKJAB-JNDILOIQSA-N 405.372 1.189 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267545776 NSYCQGYJJXIZKM-SECBINFHSA-N 407.750 1.864 30 10 HDEE COC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)OC 2282325011 YEQRUQSMSVMAMU-GFCCVEGCSA-N 405.347 1.295 30 10 HDEE COC[C@@](C)(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282331294 LWWYSUSSXIPHJA-MRXNPFEDSA-N 405.347 1.377 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N1C 2282331542 OWUWBJHAINDIKA-GXTWGEPZSA-N 400.375 1.808 30 10 HDEE CSC[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282352310 MUMUSOFBDSCYSN-HAQNSBGRSA-N 401.363 1.139 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282489089 FMMFZOCRQONLEE-STQMWFEESA-N 400.375 1.680 30 10 HDEE CCN(C1CNC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282493319 SUAOKEWUGSZFHT-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H]3[C@H](C2)C3(F)F)OC1(C)C 2282493436 TZJCOZZAGZDJEL-AOOOYVTPSA-N 406.285 1.469 30 10 HDEE COCCOC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496049 VIBYTCFTNCOPFK-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2NCC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282837515 VFXFSAZEISGTKT-GFCCVEGCSA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCCN2C)sc1B1OC(C)(C)C(C)(C)O1 2282841142 SFPXWPOXBHBWEC-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE COCCOC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282850176 LWEAWBZZYBTZRU-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE C[C@@H]1CNC[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854332 QHGONIYRDPTREW-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H](C)C[C@@H]1O 2282866150 FDCZNPMBMRTTJL-BZPMIXESSA-N 401.359 1.827 30 10 HDEE CN1CCC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866203 FYBIFQGGAYIJBK-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE CN([C@@H](CN)C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870761 XIMIMEWOEBQOHR-AWEZNQCLSA-N 400.375 1.546 30 10 HDEE COc1ncc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)s1 2282871851 MOROPLVAYGTVKK-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CON([C@@H]1CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876515 DXWCJOLSLZZASU-CYBMUJFWSA-N 403.331 1.529 30 10 HDEE CSCC[C@H](NC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283989633 QFIAXHUGBLCERJ-VIFPVBQESA-N 400.335 1.171 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 2342043125 HHJPMSAHAHDBBH-CABCVRRESA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367789004 QZJHWWOGXWLNSN-BZUAXINKSA-N 401.525 1.780 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)c1cn(C)nc1I 2367798894 VJAVMCSQGKZJLT-LLVKDONJSA-N 407.277 1.256 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367825778 RYTNGBCGRPYAGG-VKJFTORMSA-N 400.541 1.306 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](C)(C(=O)O)[C@@H]1CCCS(=O)(=O)C1 2377325201 UVTFCDJODGPYSW-KDOFPFPSSA-N 404.529 1.715 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)cc1 9333683 MRRVIVJBLQHGLA-KXBFYZLASA-N 409.508 1.650 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCN2CCCC2=O)CC1 42877146 FJSCIQYBOWEQDA-UHFFFAOYSA-N 412.450 1.650 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 59310847 LROLMUGLMGRCPQ-YAXRCOADSA-N 400.424 1.444 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccc2)[C@H](C#N)C(=O)N3)CC1 72444571 OGERAPIVZCQTBT-JKSUJKDBSA-N 421.457 1.773 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccco2)[C@H](C#N)C(=O)N3)CC1 72444621 SSMLAHSSSVJRTJ-GXTWGEPZSA-N 411.418 1.366 30 10 HDEE CCCCCCCCN1C(=O)/C(=C(/C)N[C@H]2CCS(=O)(=O)C2)C(=O)NC1=S 97981145 OUCUXFBPRKMBOI-RHIYTYFCSA-N 415.581 1.641 30 10 HDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(/C)Cl)c1ccccc1 254836138 NFINNCBCGQNLHK-KPXAVBNASA-N 400.870 1.834 30 10 HDEE C[C@@H](C(=O)NCCCN1CCN(c2ccccc2Cl)CC1)n1cnc(C#N)n1 409557822 RXKQPOIGDDXWTC-HNNXBMFYSA-N 401.902 1.693 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)CC1 472435133 RWAMEPHTBALZGW-KURKYZTESA-N 418.519 1.532 30 10 HDEE CC(C)C(=O)NC[C@@H]1CCCN(CC#CCN2CCC[C@H](CNC(=O)C(C)C)C2)C1 472564109 MHTIQRPTPTYGEQ-SZPZYZBQSA-N 418.626 1.958 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1F 473453391 IAJQJGNDSKLREE-DLBZAZTESA-N 417.418 1.402 30 10 HDEE CC1(C)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 474680144 HGKJMVAQDZUJNZ-AVRDEDQJSA-N 412.490 1.639 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)c(F)c1 480721401 VNGCJDBMBAULNP-UHFFFAOYSA-N 423.491 1.857 30 10 HDEE COc1ccc2c(=O)c(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)c[nH]c2c1 489174241 AJAUXTVUQRGLNA-IBGZPJMESA-N 416.437 1.939 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(Oc3ccc(C#N)cc3)CC2)n1C 508225134 INQRISSUUHHPDD-ZDUSSCGKSA-N 404.496 1.345 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](C(=O)OC)C1 508478330 QROHTAXYIXZJEC-HNNXBMFYSA-N 419.507 1.381 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 508813229 ZCJKBDMJJNQDMM-UHFFFAOYSA-N 408.462 1.805 30 10 HDEE C=CCNC(=O)NC(=O)CN[C@](C)(CC(=O)OC)c1ccc(Br)cc1 513154190 NYYKYMOTUXSNOS-QGZVFWFLSA-N 412.284 1.829 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 520433784 GKIPBSMSLUBVCK-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2F)c(=O)n1-c1ccc(F)cc1 523970505 MKULAXTWUBNTQQ-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE COc1ccc(CN2C(=O)N[C@@](C)(c3ccc(-n4cnnn4)cc3)C2=O)cc1C#N 533009992 FBJNYDBTSVFNSE-FQEVSTJZSA-N 403.402 1.510 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3cccc(C#N)n3)CC2)NC(C)=O)cc1 544833946 ZTNGQLZXNIQNJT-FQEVSTJZSA-N 407.474 1.878 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cnn(Cc4ccccc4)c3)CC2)n1 545470221 IJGHARFOXXWHLM-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)c1 546210631 VSZYCNCORCXWDE-HXUWFJFHSA-N 407.474 1.898 30 10 HDEE COc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(NC(C)=O)c1OC 546877477 VLIDIQRYIWLHDC-UHFFFAOYSA-N 409.446 1.891 30 10 HDEE Cc1csc([C@H](C)NC(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 553421002 PPEAGGZBDMZCEV-XJKSGUPXSA-N 411.487 1.418 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1Cc2ccccc2C1 562026669 AKLXTCMKQIDZLO-SFHVURJKSA-N 417.535 1.401 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])CC1 585227032 IPGNEKLBQHKKHW-UHFFFAOYSA-N 409.406 1.228 30 10 HDEE CN1C(=O)COc2cc(N(CC#N)S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc21 586232236 QCMOBMBFZFSOOT-UHFFFAOYSA-N 402.388 1.669 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cc3c(F)cc([N+](=O)[O-])cc3F)CC2)c1C#N 588972962 GUSXIJKAROJUSG-UHFFFAOYSA-N 404.377 1.678 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCC(c2nnc3n2CCC3)CC1 610753653 AJVBENACAPJSRP-UHFFFAOYSA-N 402.436 1.572 30 10 HDEE CN(Cc1cccc(C#CCN)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703977569 IEAILTXKZXHBDM-UHFFFAOYSA-N 411.483 1.055 30 10 HDEE C#CCN(C(=O)c1ccc(OCC(F)(F)C(F)F)nc1)[C@H]1CCS(=O)(=O)C1 729332871 ASDRLQPRPJQXCN-LBPRGKRZSA-N 408.373 1.623 30 10 HDEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730143128 UMFYGHFKRJTDJA-INIZCTEOSA-N 410.515 1.862 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cocn2)C1=O 730713715 PTXXCBZOPWPZCR-MRXNPFEDSA-N 401.492 1.874 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)CC2)c1 743109553 KAKBFOHRHQGOSS-UZYVYHOESA-N 405.524 1.811 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 747736708 MVNFZPBLTOGEJA-IBGZPJMESA-N 413.493 1.595 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1 749921883 QVZQZBHVPUZSKP-UHFFFAOYSA-N 414.409 1.623 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614817 LQTCEWNNVFXFSN-GJZGRUSLSA-N 409.508 1.592 30 10 HDEE C#CCCCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 758631850 PYEQEGKKGLHMNB-UHFFFAOYSA-N 415.309 1.722 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)n1 761042472 LCPRRLIYKLZHPZ-QZTJIDSGSA-N 409.471 1.306 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccnc2C(N)=O)c1 763242525 AXUYNMWOMWPNNH-PXLXIMEGSA-N 401.448 1.246 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CCN1C1CC1 768067081 DSKDVDJVBKHJMY-FQEVSTJZSA-N 418.501 1.962 30 10 HDEE CN1C(=C2C(=N)N(CCC3CCS(=O)(=O)CC3)CC2=O)N(C)c2ccccc21 768316022 AGCJYTSUCVZPLW-UHFFFAOYSA-N 402.520 1.861 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OCC[C@@H]3C2)CC1 776012436 ZFJKELBJUBOBJF-RTBURBONSA-N 415.469 1.061 30 10 HDEE N#Cc1ccc(N2CCC[C@H](OC(=O)Cn3c(O)nc4ccccc4c3=O)C2=O)cc1 778777451 YFVCXVHKCAMYIC-SFHVURJKSA-N 418.409 1.713 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781226711 BYPFVWTZSXWHQN-CQSZACIVSA-N 416.397 1.817 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 783453482 NNUSLMAGCUHFHR-UHFFFAOYSA-N 420.469 1.540 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@H]1CCOC1 790361179 SPERJYXYSZDQBX-OAHLLOKOSA-N 403.467 1.159 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)N(C)CCOC)CCCN1C(=O)OC(C)(C)C 791829360 GWEXIWYEIOJFPK-QGZVFWFLSA-N 405.517 1.271 30 10 HDEE COc1ncc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)n1 798565397 WJFXOZATEZWQLL-UHFFFAOYSA-N 404.448 1.356 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1C(F)(F)F)n1cnc(C#N)n1 798832283 WVRNWPOOMSVXGE-ZETCQYMHSA-N 407.761 1.888 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 803522889 AULDNSMWNINJKP-LJQANCHMSA-N 400.500 1.976 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccccc2)c(F)c1 804157988 JMUYLXGXSMLDBM-AZUAARDMSA-N 411.433 1.665 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cccc(Br)c1 804959624 HQKYFHQWMOBXGP-AWEZNQCLSA-N 406.323 1.401 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc3cc(Br)cnc3n2C)CC1 1128333216 JEQNPQWTNYBUAF-UHFFFAOYSA-N 403.280 1.937 30 10 HDEE CN(C)CCN1CCN(C(=O)c2cccc(COc3ccccc3C#N)c2)CC1=O 1130499028 PSYALMDDNJBPTO-UHFFFAOYSA-N 406.486 1.983 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cn1 1136156625 FQXZNMMUDAYBPZ-UHFFFAOYSA-N 404.879 1.682 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1OC 1142022141 VVKRITKQHMATIT-CLFYSBASSA-N 423.535 1.660 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCN(c2ccsc2C#N)CC1 1147253876 AZTNDVQMKCPVRE-CYBMUJFWSA-N 416.594 1.329 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)N1CCN(CCC#N)CC1 1152067738 CHRZYTXVWUAEJP-QFIPXVFZSA-N 409.490 1.433 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cc(O)ccc3O)CC2)cc1 1153879121 GGPFAESVBOITEP-UHFFFAOYSA-N 415.471 1.687 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C2 1158216514 WVACMGUWALHDNO-UHFFFAOYSA-N 414.871 1.840 30 10 HDEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1159159068 NCTMYRNWGYJXKI-YTQUADARSA-N 420.473 1.395 30 10 HDEE COc1cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)ccc1C#N 1160987056 PKQIDKRATRBLIR-UHFFFAOYSA-N 403.460 1.110 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@]3(CCCCN3C(=O)OC(C)(C)C)C2)CC1 1198042705 QFSDOVVZEDAXNB-JOCHJYFZSA-N 404.555 1.629 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)C1 1211230961 VSZGIGLYOZBAQU-GFCCVEGCSA-N 401.286 1.766 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)CC1 1213162566 WFYKNKLTJCQCCO-UHFFFAOYSA-N 400.522 1.132 30 10 HDEE C#CCC1(NC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CCOCC1 1248517451 NCKQHYOUTQZJSE-UHFFFAOYSA-N 418.498 1.442 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c(O)nc1=O 1255256830 YPTVCDKAVQDBPV-KRWDZBQOSA-N 411.462 1.859 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286384328 HURFWQQEEZTQFT-HOTGVXAUSA-N 410.540 1.008 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(=C)C 1286408867 GBNLIIXSOODYAE-KSZLIROESA-N 402.520 1.234 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(CC)nn(C)c2OC)CC1 1286485653 SQMVDWNNOVOKTI-GOSISDBHSA-N 413.526 1.238 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)N(C)C)CC1 1286489558 XIGCMHNOVOXTKC-UHFFFAOYSA-N 424.505 1.008 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)C1 1286799209 TVALAPYZNUMWEO-SFHVURJKSA-N 402.543 1.781 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CC1 1288986452 URMDEJYDFJTDDR-CVEARBPZSA-N 423.539 1.116 30 10 HDEE N#C[C@]12CN(C(=O)c3cnn(Cc4ccccc4Cl)c3)C[C@H]1CS(=O)(=O)C2 1289436140 IVWGFXGUZCMIJS-MAUKXSAKSA-N 404.879 1.595 30 10 HDEE C#CCCN1CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1292438108 ZLIDFXJQAPMACC-NZQKXSOJSA-N 413.518 1.970 30 10 HDEE CC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1293519202 UITGXAIJSYJUSE-DXNFXHBHSA-N 402.499 1.932 30 10 HDEE COC[C@](C)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1294989170 MOWSEABHHBJJMN-YFXGLOOTSA-N 409.483 1.468 30 10 HDEE CC(C)[C@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1297321871 JMBPMORPNXHTMM-IBGZPJMESA-N 419.489 1.990 30 10 HDEE C#CCN(CC(=O)N1CCC(N(CCOC)CCOC)CC1)C(=O)OC(C)(C)C 1297583942 LGZNXMDEGKFCRB-UHFFFAOYSA-N 411.543 1.443 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C(C)C 1300460209 ONSOINIETUGGTC-IBGZPJMESA-N 404.540 1.715 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1300609425 OZPHLNONJCNXRS-KRWDZBQOSA-N 421.509 1.101 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([S@@](C)=O)CCC2)CC1 1300700484 RBJOQNNJODRASZ-JYRCXFKTSA-N 405.568 1.229 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@@H]1CCCCS1(=O)=O 1300802001 YVSJQECWUCBAJY-HNAYVOBHSA-N 400.508 1.695 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300888114 HYCQPQPFUNKOKN-MAUKXSAKSA-N 411.572 1.682 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300990020 HWKMPQIFJWOHIJ-UHFFFAOYSA-N 404.559 1.568 30 10 HDEE COC[C@H](F)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301066421 GCVVAHMFPVLLHB-MRXNPFEDSA-N 423.452 1.783 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1301422789 XBPJAMPGLOIKBV-HOTGVXAUSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301499779 FZUUGPDOXNOKGE-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301568026 BTAYWIJBUCITLL-HNNXBMFYSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1301578942 KWSRJSZNSNBVEW-HOTGVXAUSA-N 405.524 1.737 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1302274814 HNVPXCANMVKYBW-HUUCEWRRSA-N 406.487 1.773 30 10 HDEE CSCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1302743747 XYWUGCKMQCDZHU-KGLIPLIRSA-N 416.573 1.150 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCCC2)CC1 1303000405 DWMYMOBTFZLJRN-GOSISDBHSA-N 420.583 1.796 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1306244633 CFPDIKURMQWZSW-HZPDHXFCSA-N 416.432 1.956 30 10 HDEE CC(=O)NCc1ccc(C(=O)Cn2cc(C#N)c(I)n2)cc1 1307361020 HJPAIDZLGBLGGS-UHFFFAOYSA-N 408.199 1.878 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1313097155 LRNAKCSCGVBBIQ-SFHVURJKSA-N 407.536 1.748 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N(C)C 1316100905 ACJLAVBPSKMPJK-NVXWUHKLSA-N 406.531 1.651 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)Cc1nnc2n1CCOC2 1321870441 DEDHMGYIVFYISC-UHFFFAOYSA-N 416.463 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1cccc(S(N)(=O)=O)c1C#N)CCO2 1347603964 UIZHEYXLTHRXTE-UHFFFAOYSA-N 408.480 1.032 30 10 HDEE Cc1c(C(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)cnn1CCC#N 1356031470 ABASDROEWGKKTG-UHFFFAOYSA-N 401.492 1.949 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1358897553 AXKNFICHLCVZPH-OAHLLOKOSA-N 420.473 1.866 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NC(C)C 1358947866 MPEYNOGFMKQEMS-UHFFFAOYSA-N 418.542 1.987 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1358952592 QUHCZXFCQDWJFZ-YWZLYKJASA-N 415.519 1.677 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1358980463 VYLGRRMWJPRONZ-SFHVURJKSA-N 414.506 1.906 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359216082 OSMOURFZGLLPNX-MSOLQXFVSA-N 404.559 1.785 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1359252913 LJWLXIOAAAZICY-INIZCTEOSA-N 412.498 1.283 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1359469467 FLRBVXQIXPQNNW-CQSZACIVSA-N 413.507 1.638 30 10 HDEE CC(C)OCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1360380287 RSZVMKHDHUQRDB-YJBOKZPZSA-N 413.519 1.827 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)O1 1439578048 HLMAPFJUHNZBOK-YTQUADARSA-N 418.494 1.493 30 10 HDEE O=[N+]([O-])c1ccc(NCC#C[C@H]2CCCCO2)c(S(=O)(=O)N2CCOCC2)c1 1458704946 YXEBGERMUZGWQG-MRXNPFEDSA-N 409.464 1.600 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOc3ccc(OC)cc32)c1 1466725330 RDXDCLKQASZTAM-GOSISDBHSA-N 400.456 1.860 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)C1CCN(C)CC1 1468381319 GQGCSMZANJFLHA-NRFANRHFSA-N 402.514 1.938 30 10 HDEE Cn1nnc2c1CC[C@@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C2 1469520669 HCHZRYYLJMMPFH-DMTCDCDWSA-N 414.510 1.575 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(C#N)cc2)CC1 1470074349 CYGFPFLQWJYIJK-UHFFFAOYSA-N 415.519 1.658 30 10 HDEE C#CCN(C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1471108829 MJLOZBCRDQXNNC-LBPRGKRZSA-N 418.441 1.570 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1c2ccccc2C(=O)N1C 1471130571 QBGCQKHVATUAFY-ACJLOTCBSA-N 412.471 1.168 30 10 HDEE Cn1nccc1[C@@]1(O)C[C@@H]2CC[C@H](C1)N2CCS(=O)(=O)c1ccc(C#N)cc1 1473792287 MZKDXDAHJOJOJZ-YRWFTTLQSA-N 400.504 1.580 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)cc1 1477744811 IUARLJQRVZVPCU-JOCHJYFZSA-N 406.442 1.753 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)CS(C)(=O)=O 1478420637 BRTCFWZFWBBMDA-INIZCTEOSA-N 406.508 1.424 30 10 HDEE COc1ccc([C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)c1OC 1478742664 SPZZOIZELZXPAH-BIENJYKASA-N 407.492 1.653 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCC2CCN(C3CCOCC3)CC2)CC1 1478954881 YMWYNHKOVSULBF-UHFFFAOYSA-N 412.538 1.676 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1503202025 KJQZUGIOEVQCCG-HNNXBMFYSA-N 418.523 1.323 30 10 HDEE CN(C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503405668 ZAPAFEIXORKNDP-RTBURBONSA-N 417.558 1.274 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1507524426 BKGQFPBTPOPXJO-INIZCTEOSA-N 424.505 1.296 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC)CC1 1507728050 VSZZRTNQXPIKPA-UHFFFAOYSA-N 422.533 1.603 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507956920 IIDXXLDIUXOLEC-LSDHHAIUSA-N 405.455 1.221 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508091116 RWZINFBZVUOUAH-UHFFFAOYSA-N 406.494 1.441 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1508093184 BJJNOXHMZHHZRZ-SJORKVTESA-N 400.527 1.560 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1508093953 WWLFFMWYLFIWKK-UHFFFAOYSA-N 404.559 1.327 30 10 HDEE C=CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOCC1 1508155589 PXUZJROVCWBSNO-UHFFFAOYSA-N 412.519 1.948 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508816133 NHFXOOGKQQOFHH-ZWKOTPCHSA-N 421.505 1.304 30 10 HDEE CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1520417149 FNJDGWMIAYOUPH-HOTGVXAUSA-N 403.556 1.549 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1528558469 HACIGYRSTYTUKC-YADHBBJMSA-N 421.501 1.442 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1532934205 MYEHENQFENLFIZ-UYAOXDASSA-N 404.532 1.940 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1ncc(C)s1 1539414029 RFJZFSLZQRKNCR-ZFWWWQNUSA-N 402.524 1.884 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1539729084 FUBITZULQIZBAZ-CABCVRRESA-N 401.533 1.096 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539847124 KGSIATWDLDRCBJ-ZWKOTPCHSA-N 402.543 1.742 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@@H]1C 1540862388 AOSLLDOWBBMDDV-KBPBESRZSA-N 418.523 1.272 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1540898839 WMIPUKWDSOGFCJ-OAHLLOKOSA-N 413.544 1.633 30 10 HDEE CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1541507566 KHHLOMDPSRXTRB-STGLLQLASA-N 415.498 1.238 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCC(=O)N2)c1 1543195619 MXYUXTLSGMHGSN-XQEBGNCTSA-N 406.508 1.887 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1 1554556366 CLVQAXPFWRNTJA-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1555989850 SFHXVGXTELIEOV-QWHCGFSZSA-N 410.356 1.510 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C[C@H](C)CC)C(=O)OC)ccc1F 1557189666 ZQBVIKCCONIAAH-DOMZBBRYSA-N 400.472 1.998 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@]23CCCC[C@]2(COC3)C1 1557667893 ROSTZMPKSHKDOC-RYGJVYDSSA-N 403.504 1.644 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CSc1ccc(S(N)(=O)=O)cc1)C(=O)OCC 1557933831 AYRMIYXKOOXPQF-ZDUSSCGKSA-N 406.913 1.617 30 10 HDEE COc1cc(N2C[C@@H](C(=O)NCC#C[C@@H]3CCCCO3)CC2=O)cc(OC)c1OC 1558750253 BEAVVCRPVQSRTB-RDJZCZTQSA-N 416.474 1.754 30 10 HDEE C[C@H]1CN(C[C@@H](C)O)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1561490320 HCCVDXRZGYLLMP-NWDGAFQWSA-N 402.314 1.396 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1=O 1563001385 WGEUPMRWLPJHTL-NWDGAFQWSA-N 408.421 1.870 30 10 HDEE CC#CC[C@H](CO)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 1583661937 RKDJHVQSEQEPIF-CYBMUJFWSA-N 402.310 1.892 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1584836413 DFEZCKQVVLRDNT-QGZVFWFLSA-N 421.542 1.340 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)CNC(=O)C4)CC2=O)cc1Cl 1587241975 BLMCQEIFZSKRHA-CQSZACIVSA-N 400.866 1.693 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC(=C)C 1587975394 ZLOUMNKWTCTDHK-UHFFFAOYSA-N 402.524 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1588121107 ZICNSLQBLWVBRS-UHFFFAOYSA-N 424.530 1.449 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1588399156 NHKMNUZOUREBHW-UHFFFAOYSA-N 413.432 1.760 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1593872380 FZJVVJLDHBFACO-OAHLLOKOSA-N 412.885 1.575 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(=O)NC)C1 1595681859 VUVTZVJDWRECBG-CYBMUJFWSA-N 423.315 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1595773015 MOMQSLHKCSURIJ-QGZVFWFLSA-N 415.519 1.890 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1603300810 YRAWNMMHFCANBE-UHFFFAOYSA-N 412.446 1.754 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(OCc4ccncc4)cc3)C2)c(=O)nc1O 1607498114 RGQDFBCBJUUYLV-UHFFFAOYSA-N 417.425 1.421 30 10 HDEE C[C@@H]1Cc2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)ccc2N1S(C)(=O)=O 1611534318 UBCIJLOWTIIBHL-CQSZACIVSA-N 404.488 1.875 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1611767036 GFUSFMBEDNABLI-IIBYNOLFSA-N 407.478 1.506 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1613898507 OJPXTRQWEQSZTC-UHFFFAOYSA-N 421.509 1.533 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCOCC1 1614029002 WWFXHGULHPKHTG-UHFFFAOYSA-N 424.553 1.546 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1620024371 HRBAFHSMKLJNNA-HNAYVOBHSA-N 413.478 1.809 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)C1 1622551207 GOWJVVYYHVPMMZ-AWEZNQCLSA-N 409.464 1.456 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NC2(C#N)CCSCC2)C1=O 1623151613 OCSRIDHOCPBMHZ-AWEZNQCLSA-N 410.540 1.655 30 10 HDEE Cn1cc(C(=O)C[C@@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1623452213 NAORTMDBRMYDHM-AWEZNQCLSA-N 418.450 1.734 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC)c2ccc(Br)cc2)CC1 1623499169 SFUUSTVFZBOPNA-KRWDZBQOSA-N 406.324 1.836 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1625079517 GDPUNKYYQIOFOC-ZDUSSCGKSA-N 409.389 1.584 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 1626535237 VDHIYGIXDDDSTK-HXUWFJFHSA-N 415.446 1.392 30 10 HDEE C#CCN(CC(=O)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1628676361 BXTGSWDXQRGLNJ-KRWDZBQOSA-N 421.519 1.468 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 1632393868 FJKRORDIDCBFQM-UHFFFAOYSA-N 405.432 1.287 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)c1 1632565104 CPIDXPDYXWHPRR-UHFFFAOYSA-N 419.466 1.967 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3O)C(=O)OC)cc2C1=O 1633485343 XSYRYZOQSQRFNA-KRWDZBQOSA-N 408.410 1.688 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)CC1 1636480093 LLRONUWFSCIZMH-INIZCTEOSA-N 415.515 1.564 30 10 HDEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCCN(O)C2=O)c1 1636546691 WIJRXHHIYZLFCJ-HZPDHXFCSA-N 407.467 1.627 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCn2nc(C(=O)OC)cc21 1636929120 QAJDQGFAOXPCLU-KBPBESRZSA-N 404.467 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)CNc1ccc(C#N)cn1 1637402460 AROCWCQWZANRRH-UHFFFAOYSA-N 401.467 1.951 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1643999891 CEJXCTXORHUZHN-AWEZNQCLSA-N 403.464 1.116 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1644128197 ZFAXNNOOQJUVAE-KBPBESRZSA-N 413.471 1.384 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H](c2cnn(C)c2)C1 1648939840 BIDDLDLIBJOXFY-PMACEKPBSA-N 410.497 1.815 30 10 HDEE C=CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 1652166681 JQYNTQORROWGRA-UHFFFAOYSA-N 410.521 1.826 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 1658829591 FENZXSMNUSBCFV-UHFFFAOYSA-N 410.492 1.919 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1663387835 BTWGCRCXWJAHHQ-OWSLCNJRSA-N 410.492 1.285 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C)C(=O)OC 1663617184 DBAJSPPYDNXYKI-CXAGYDPISA-N 410.492 1.569 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCN1CCOC1=O 1664194032 MCWIRJUBLUIDMD-UHFFFAOYSA-N 415.512 1.103 30 10 HDEE C#CCOc1cccc(NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)c1 1674518772 KQSGFLFQVDFPKD-SFHVURJKSA-N 408.524 1.775 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1679523847 YWPKFSGFSMSMBX-BLLLJJGKSA-N 412.855 1.370 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)cc1 1684279280 XTIGAGGBYJQJNN-UHFFFAOYSA-N 400.479 1.560 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 1686634489 UQMSVOMLNCIHDJ-LJQANCHMSA-N 414.550 1.825 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689989815 IZNPHWZCFIUBCU-IRXDYDNUSA-N 422.551 1.368 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690177475 WYKJEDCTAHUYDQ-KRWDZBQOSA-N 405.568 1.671 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690469182 GXSDIYAZPXWXOS-MRXNPFEDSA-N 424.571 1.246 30 10 HDEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1690493442 IFZDFAHWMBASST-GOSISDBHSA-N 415.494 1.783 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C)C1CC1 1690537365 NJOYWZMWYBPPIS-ZDUSSCGKSA-N 412.560 1.205 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690627617 MZCHRTKIVDQIBN-FQEVSTJZSA-N 414.897 1.906 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCS(=O)(=O)C2)C1 1690693552 CQBHHXAOZXYASV-IAGOWNOFSA-N 419.551 1.890 30 10 HDEE CC(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692413341 PIQNUBUZVQITFD-GFCCVEGCSA-N 419.511 1.079 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC(F)F)CC1=O 1696879956 BNCMECANWNFQMX-UHFFFAOYSA-N 404.421 1.767 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1705474697 FJLTYQRCMFKYSQ-QGZVFWFLSA-N 417.602 1.680 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1705476853 GFUQNEAPKTWAKA-CVEARBPZSA-N 424.571 1.139 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1705494412 ZLRQJAYCNHHHCH-QFBILLFUSA-N 410.522 1.676 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1705494413 ZLRQJAYCNHHHCH-VQIMIIECSA-N 410.522 1.676 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCC(=O)N(C)C)c1 1705508387 UNWFAMOJISTUNF-UHFFFAOYSA-N 412.494 1.349 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccnc1OCC(F)F 1705583426 XVVCXOMAARZLQB-INIZCTEOSA-N 401.417 1.942 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(=O)N(C)Cc1ccccc1 1705595210 KOIYKJZGCZPLRR-UHFFFAOYSA-N 413.485 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2c(C)noc2C)CC1 1705649400 WJZZSYJHNVBKIW-UHFFFAOYSA-N 419.489 1.959 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705735657 VJJGIHFYTIMFGO-MSOLQXFVSA-N 407.515 1.106 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1nnn(C)n1 1705857554 HOIZRFDQQSFCFC-UHFFFAOYSA-N 420.481 1.052 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCOC1 1705885230 LJFXSVCDKFGYBZ-WIYYLYMNSA-N 416.478 1.581 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705945771 RLWAVVBHEHSKOP-RCCFBDPRSA-N 407.584 1.858 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1706505605 HTFDJXLMBWKXHY-UHFFFAOYSA-N 405.510 1.772 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1706682604 ARTDHAKWUAAYFA-ZWKOTPCHSA-N 410.478 1.793 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCN1CCOC[C@@H]1C 1722341815 MXVCBFXEKSIMGT-SFHVURJKSA-N 410.522 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCCC(C)C)CC1 1722436442 GNMMPYVAGWOBEA-SFHVURJKSA-N 402.543 1.437 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722532491 NVAAEXIMFUSCRV-WMZOPIPTSA-N 413.526 1.624 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722535582 KWICTHPZWAZDJC-HXUWFJFHSA-N 424.553 1.909 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1722581146 AXCOEAOEQQBPFX-ZIAGYGMSSA-N 412.560 1.158 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722693169 FPYGQWBSGULDBF-QGZVFWFLSA-N 421.505 1.983 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)C[C@@H]1CCCO1 1722695032 PYABIDXYBTYSKW-INIZCTEOSA-N 413.478 1.981 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCN(C)C2)C1 1722718730 VEBHWPVCTIOWMC-OXJNMPFZSA-N 418.929 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@H](C)[C@H]1C 1722728431 WDTQJXBKTHQDIO-MCIONIFRSA-N 413.569 1.160 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1729596892 NPJFJCYGTXRVPK-MOPGFXCFSA-N 415.429 1.362 30 10 HDEE COc1cc2c(cc1C)CN(c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O)CC2 1730026791 RUHWARNNYPRBSN-MRCUWXFGSA-N 422.489 1.993 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(O)CCSC1 1730947006 TUKBPYJOGAPOFB-LBTBCDHLSA-N 411.503 1.312 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C[C@@H]1O 1731140606 SKFOFYYEGVWGFI-YWMUFLPLSA-N 413.478 1.087 30 10 HDEE C#CCN(C(=O)[C@@H](OC)C1CCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739625852 DAOKOAHNXWFIHK-BCRJPVCJSA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1740553389 RSSANFRRGYMUPL-HOTGVXAUSA-N 409.556 1.671 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nncn2CC)CC1 1740692138 GZDOALNPLPMAAW-UHFFFAOYSA-N 411.901 1.408 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740720940 RWQVCXOERHCHLU-IBGZPJMESA-N 423.546 1.942 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1740786561 IGXVQKYPDOSHHG-UHFFFAOYSA-N 401.515 1.867 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O 1740936444 UYYRFOLPFSTAKY-NRFANRHFSA-N 409.494 1.985 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740955931 ISALQSQCTPRUDS-JSGCOSHPSA-N 410.400 1.798 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1741119504 QLUNAFVDDGQGGE-LJQANCHMSA-N 412.494 1.870 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1741518002 SXLHUUHQVRAWHW-JKSUJKDBSA-N 422.555 1.225 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 1744729342 YDSGPTZIVKDUIJ-FUHIMQAGSA-N 415.519 1.134 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1748671715 NAOTXKMNNWNUIL-QWHCGFSZSA-N 422.580 1.835 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748731838 MSJVCFSDDFRHHP-KRWDZBQOSA-N 409.556 1.446 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1748814904 LEVLYRSWUVRCSN-WMZOPIPTSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C2CC2)CC1 1748830351 UYPBOENUSUKEOJ-HSZRJFAPSA-N 411.550 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1748891693 DJBQKZABVJHTGY-ROUUACIJSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1748937067 ACGNGTKXWTUGCF-LJQANCHMSA-N 422.482 1.005 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)SC)CC1 1748977790 CXXMUJSQNZEOBO-HXUWFJFHSA-N 407.584 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCC(F)F)CC1 1748979517 CSVXGYWXWINCDR-UHFFFAOYSA-N 420.420 1.890 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCC[C@H]2C)CC1 1748994257 WEJQTDXTVXSSNN-QGZVFWFLSA-N 413.595 1.873 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1749019644 BYHFQBKDIFDVBA-CQSZACIVSA-N 406.556 1.230 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC3(CCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749681791 IXZBHIIVWVGZOU-NRFANRHFSA-N 419.526 1.380 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1749709955 UUZPONQHJBGXRX-CVEARBPZSA-N 415.498 1.107 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1C(C)(C)C 1749740777 YQPLHGQOWBXDHD-LSDHHAIUSA-N 400.545 1.417 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1751099428 BKLGUEFJXGJKQY-ORAYPTAESA-N 400.508 1.385 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1760112554 JAGIYKHXBWAZOL-UEXGIBASSA-N 419.595 1.838 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1760114284 KCMRMVJADWFGFP-IAGOWNOFSA-N 400.527 1.332 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760137907 YZQZLQCIOQERSR-BEFAXECRSA-N 405.524 1.048 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C)C1=O 1760213377 ZUNZDEWOAVFAFX-NRFANRHFSA-N 406.446 1.795 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CN2CCCC2)CC1 1760259951 IUAUCUYHJLPDTF-SFHVURJKSA-N 413.570 1.106 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(C)c2)CC1 1760260273 OCDNYIONSLFBDE-IBGZPJMESA-N 408.506 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](OC)C(C)(C)C)CC1 1760273178 KQBSMQJXMXWSMH-KRWDZBQOSA-N 405.543 1.842 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1760445843 XJUYOMAJOATJNJ-UHFFFAOYSA-N 404.515 1.199 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](CC(C)C)C1 1760516786 VJZOMLTVPSQBAY-GJZGRUSLSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 1760521846 FRESZXAVMQIHNT-OAHLLOKOSA-N 421.498 1.258 30 10 HDEE C=CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)C1 1760564091 ONCSBEFOOAIWHY-UHFFFAOYSA-N 411.491 1.449 30 10 HDEE CC1(C)CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1761564167 ZUKKZTPMBGQGJS-ZDUSSCGKSA-N 405.480 1.308 30 10 HDEE CCC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765651725 FTPWVOAQRLUJFL-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccn2C)nnc1N1CCC(CC#N)CC1 1766725301 ANIMFQNZFPJDFJ-UHFFFAOYSA-N 405.528 1.353 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O)C1CCC1 1768576510 CAGLNBNGJIWJIM-UHFFFAOYSA-N 404.496 1.267 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)cc1 1770287949 FABVEMWWIFJCTB-INIZCTEOSA-N 423.420 1.876 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772792269 JPBYOPDBSQGSIZ-UHFFFAOYSA-N 417.443 1.568 30 10 HDEE N#CC1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)CC1 1849380360 XSJIQUOCQJJCOG-QGZVFWFLSA-N 424.501 1.995 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(C(=O)c3cnn4ccccc34)CC1)OCO2 1852052774 LDZBPEZCGVCDGF-UHFFFAOYSA-N 417.425 1.462 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)n1 1852336132 UADRUFRKERNTHC-UHFFFAOYSA-N 419.429 1.115 30 10 HDEE Cc1cccc(N(C(=O)C2CN(S(C)(=O)=O)C2)c2nccc(N(C)C)c2C#N)c1 1852598738 WCOYYJUBYLCBSB-UHFFFAOYSA-N 413.503 1.884 30 10 HDEE N#Cc1c(NC(=O)[C@H]2COCCO2)n(CCc2ccccc2)c(=O)c2cccnc12 1852925099 IBRJEFVUDVYRAF-GOSISDBHSA-N 404.426 1.865 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853823729 XIAYBDZYLSEJRF-ROUUACIJSA-N 414.506 1.464 30 10 HDEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1 1854120962 OXSJWZGJEDOCSA-ONGXEEELSA-N 409.247 1.773 30 10 HDEE CC1(C)C(=O)N(C(=O)Cn2cccc2)CCN1S(=O)(=O)c1ccccc1C#N 1854453451 QYMWEPRWZPPJII-UHFFFAOYSA-N 400.460 1.198 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CCN([C@@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854940349 BFWSJMGTLVWUKS-MAUKXSAKSA-N 401.511 1.661 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1 1855745699 OOHIKYUQMNXFNR-CABCVRRESA-N 402.882 1.913 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)Cc3ccc(F)cc3)C2)C1 1856390729 HQSNGWWSYWDPBD-INIZCTEOSA-N 408.433 1.773 30 10 HDEE N#CCCN1CCN(C(=O)Cn2cnc3ncccc3c2=O)C(=O)C12CCCCC2 1856648756 CCMZSXYLPSCBCY-UHFFFAOYSA-N 408.462 1.079 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4ncccn4)C3=O)CC2)n1 1856966948 JDSLKIUYPZFPEP-QGZVFWFLSA-N 406.446 1.275 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857240575 QSOFFFXODUNVSK-MJGOQNOKSA-N 401.482 1.852 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCC 1857347807 VYQUDCUDUYHTMK-QGZVFWFLSA-N 419.503 1.310 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)CS(=O)(=O)c2cccc(Cl)c2)c1 1866885008 BUMIVDZAWAIMIS-INIZCTEOSA-N 421.862 1.101 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3ccccc3F)CC2)cc1=O 1870563759 OCXMEBIFKHHOOI-UHFFFAOYSA-N 412.509 1.883 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nc(C)c(C(=O)OC)s2)c(=O)cc1CN(C)C 1870586180 PNKIQWGQYWAXCI-UHFFFAOYSA-N 420.491 1.665 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)cc3)C2)CC1 1872909800 OYXDTHPVQSBEQI-IBGZPJMESA-N 413.518 1.627 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(Cl)c1O 1874445058 ROYGESMFKUMKMH-MDIIPYEWSA-N 411.871 1.957 30 10 HDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1882598753 IGGDMENHBCMBCS-OAHLLOKOSA-N 412.402 1.826 30 10 HDEE CN(CC1CCN(C(=O)c2ccc(-n3cnnn3)cc2)CC1)c1ncccc1C#N 1891723256 AXMLXKWHEYQHMH-UHFFFAOYSA-N 402.462 1.918 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1987703023 YWXXWWOZEALNOP-MGPQQGTHSA-N 410.320 1.670 30 10 HDEE C#CCn1ncc(N[C@H]2CCON(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2043985565 WPJSVOOXSVRNKT-NSHDSACASA-N 413.272 1.992 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC(C)(C)C#CC(=O)O 2082721432 TXAZVNDTXDKAMH-UHFFFAOYSA-N 406.460 1.095 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2118163051 NNQPTNCDODDCGS-JPQMIFPKSA-N 400.482 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174789742 UTBQJAGDHAPVJG-AOTXYTFASA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H](CN)c2ccsc2S(C)(=O)=O)[C@H](C#N)C1 2194937139 HUASQVBYZNESEI-TZMCWYRMSA-N 414.553 1.596 30 10 HDEE COCC[C@H](CNS(=O)(=O)c1cc(F)cc(C#N)c1)NC(=O)OC(C)(C)C 2233901206 VPBFISHNEDFHST-CQSZACIVSA-N 401.460 1.905 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247823968 STRCBIVBTNXVPN-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247915390 ARJVHVUPOXSPTP-JJLQDPRZSA-N 418.303 1.304 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247916612 AWOWCZCUKRIZAL-STQMWFEESA-N 422.335 1.751 30 10 HDEE Cc1c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247919689 SERLDBVIANKYNM-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2250000353 HZUNGLWSPBOOPR-HZPDHXFCSA-N 420.315 1.712 30 10 HDEE C#CC12CC(CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c3ccccc3C1=O)C2 2260394345 BBBPEKRUUGNIDX-JFUAUVDRSA-N 404.463 1.828 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@@H](N)C#Cc1cccc(Br)c1 2264113563 RSJVXODQCGVORN-DAYGRLMNSA-N 411.296 1.783 30 10 HDEE C[C@@H](C1CC1)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270505455 GJSFNICGJURDHW-YOEHRIQHSA-N 423.491 1.710 30 10 HDEE C[C@@H]1CCN[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282303785 AUYOQIQIRJHSPY-ZYHUDNBSSA-N 420.793 1.977 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282330188 WFDPIGUJSHCQDI-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@H]1O 2282337905 KHKIICCDYZRQPT-OUCADQQQSA-N 401.359 1.875 30 10 HDEE C[C@@H]1CC[C@@](CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282346528 OOKDFBXORORHHJ-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(F)(CN)CC2)OC1(C)C 2282409551 PWSNLLQKHLGCCG-UHFFFAOYSA-N 404.338 1.499 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H]1CO 2282423234 LSKRJEFHRYGNRO-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE CC1(C)OB(c2sccc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2282481771 ACMJYQXPKJBUOD-UHFFFAOYSA-N 401.359 1.990 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)OC1(C)C 2282492528 RIWINQFAULSHQM-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC[C@@]1(O)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282504531 QETNPTZHPUHJIO-MRXNPFEDSA-N 402.347 1.119 30 10 HDEE CCCOC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282509857 QIPXNCYMELNUTR-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE Cc1nn(C)c(C(=O)N2CCCC[C@@H]2C2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282579096 ZZYHJNYKAARPLP-CQSZACIVSA-N 405.304 1.395 30 10 HDEE CN(C)C[C@@H](O)CN(C)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642033 HZQYVLNLNIMCHY-LLVKDONJSA-N 402.753 1.695 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCS(N)(=O)=O)s1 2282660361 YHJIIPWHQOHFBA-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE C[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833583 IXWHCOAXJQCIAH-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE CC[C@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282866053 CJAAOQHXIXWPPX-ZDUSSCGKSA-N 402.709 1.181 30 10 HDEE CCC[C@H]1CNCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872469 XBILZUPZUBDPNB-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@]3(C)C(=O)O)s2)OC1(C)C 2284395879 QLCMUVHCNIXYNY-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](C(=O)O)[C@@H](F)C3)s2)OC1(C)C 2284412724 XJSCOLFMTTYNID-ZJUUUORDSA-N 405.278 1.091 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2319403688 NQSFDHZJOVZWPP-PXNSSMCTSA-N 406.504 1.058 30 10 HDEE COc1cc(OC)c([N+](=O)[O-])cc1C=NNS(=O)(=O)c1cccc([N+](=O)[O-])c1 2323403840 OBWZHGBOALJPLY-UHFFFAOYSA-N 410.364 1.833 30 10 HDEE CCc1csc(C#C[C@@H](N)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363981290 QMAYDFGNURNLQQ-HIFRSBDPSA-N 413.565 1.809 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CC(OC)C1 2365199545 PCYZURFGTBCTNT-XAUUPUKJSA-N 402.557 1.863 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 2365201292 HGSWEOCFZGXBNN-CVEARBPZSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365210916 ZXUCJKBYSVNVLH-MRXNPFEDSA-N 401.573 1.377 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1 2367791415 JEYUHJGNTQVMLZ-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367823876 JKVQMWWASSNEKF-CABCVRRESA-N 402.557 1.457 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CC[C@@H](S(C)(=O)=O)C1 2368847112 MEMJRPSISADLBM-QWHCGFSZSA-N 400.375 1.840 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NCc3ccco3)cc2C1=O 4789537 VJONQERRBLGWJR-UHFFFAOYSA-N 411.370 1.244 30 10 HDEE CCCN1C(C(C)=O)=C(OC(=O)CN2C(=O)CCC2=O)c2ccccc2S1(=O)=O 21149309 WETLUNHUUPOPBV-UHFFFAOYSA-N 420.443 1.051 30 10 HDEE COc1cc([C@@H]2c3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)ccc1O 101442055 PTNTVDJTSAUGQQ-KFNAQCHYSA-N 409.446 1.944 30 10 HDEE CCOc1cc(/C=N\n2c(S)nncc2=O)ccc1OCC(=O)N(CC)CC 169882912 GAKSCZXNBJQHHF-JMIUGGIZSA-N 405.480 1.455 30 10 HDEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254820049 TWZKDOXSDLSSDK-HZPDHXFCSA-N 411.549 1.781 30 10 HDEE C[C@](C#N)(NC(=O)CSC[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 384239877 ZJNMZQFRUMDULF-DNVCBOLYSA-N 405.476 1.908 30 10 HDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 409519704 PTDNFTKEBFZWBL-UHFFFAOYSA-N 418.441 1.362 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 409551179 BQVYRRNMNFSXIN-HNNXBMFYSA-N 400.932 1.673 30 10 HDEE N#Cc1ncccc1S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 428416318 GAHUOTGNJIJJEE-UHFFFAOYSA-N 420.516 1.357 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cnnn3Cc3ccccc3)CC2)cc1 430000441 AATQHDYYXJOKGB-UHFFFAOYSA-N 422.514 1.705 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1)C(=O)OC 435949252 LFJPUPAMJDROIC-VDZJLULYSA-N 417.437 1.949 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)[C@H](C)C1 440579184 HXJHAAIIMOEQGV-CQSZACIVSA-N 407.430 1.763 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(c2nccn(C)c2=O)CC1 467175672 KFPYWRPJSHMNQN-MRXNPFEDSA-N 401.536 1.567 30 10 HDEE N#CCCN(CCN1CCOCC1)CC(=O)Nc1ccnn1CC1CCCCC1 471226249 HYPSAKVLGGYJFB-UHFFFAOYSA-N 402.543 1.950 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cccc(N(C)C)c3C)CC2)c1C#N 472892200 GDVONXAZDQJQEJ-UHFFFAOYSA-N 409.494 1.262 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475936958 GCRJKFZEQRLFMA-HXUWFJFHSA-N 401.463 1.483 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c(C#N)cn1CCOC 481338467 BTRSKCVCZXOSGI-OLZOCXBDSA-N 405.455 1.301 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 483502522 LTNDDZSVUQEMFU-ZBFHGGJFSA-N 416.507 1.896 30 10 HDEE COCc1nc([C@H]2COCCN2C(=O)CCCC(=O)Nc2ccccc2C#N)no1 501916870 QPPXGCSXXWBZDU-MRXNPFEDSA-N 413.434 1.797 30 10 HDEE CN(C)CCC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 505519150 DJGIYPDYWFCVER-LJQANCHMSA-N 411.506 1.954 30 10 HDEE C=C(C)[C@@H](CC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)OCC 506867481 ZUHQAXSIOXPVAS-RTBURBONSA-N 417.554 1.739 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[S@](=O)C(CC)(CC)C1 509000731 UUCWWZLJNJBOME-CANCMXDXSA-N 403.574 1.202 30 10 HDEE Cc1nc(SCC(=O)Nc2ccc(C(=O)NCC(N)=O)cc2)c(C#N)c(C)c1C 509127568 WUHKDTZKBJVPDH-UHFFFAOYSA-N 411.487 1.824 30 10 HDEE C=CCSCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 513607668 GWUAJLUVMCDVHV-UHFFFAOYSA-N 405.520 1.912 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CCS(=O)(=O)c2cccc(C#N)c2)c1 513816440 NXQRBDJIOVLLJF-UHFFFAOYSA-N 423.516 1.224 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)N2CCN(c3snc(C)c3C#N)CC2)C1 517110495 FSWNGADCWIENDE-JKSUJKDBSA-N 419.551 1.635 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CCS1(=O)=O 582559267 MDVCCNLGXRNHPX-INIZCTEOSA-N 415.519 1.867 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2N(C)C(=O)c2ccco2)CC1 594580758 QEWHEVZWSHEEAS-UHFFFAOYSA-N 410.474 1.616 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)cc2C1=O 604603252 DAOAKLVUCMJKOZ-UHFFFAOYSA-N 417.418 1.185 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)CC1 605406558 HSFPJHMJYUDBHQ-UHFFFAOYSA-N 401.389 1.474 30 10 HDEE CC[C@]1(C)NC(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 609151294 BCCYDDMQPWFOON-KUHUBIRLSA-N 415.475 1.119 30 10 HDEE CC1(C)OB(c2ncc(CNC(=O)[C@H]3CCCCS3(=O)=O)s2)OC1(C)C 718826423 MTNXWMQVKNUDMK-GFCCVEGCSA-N 400.331 1.026 30 10 HDEE CC(C)(C)CC(=O)N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725766229 JTLQGTFDDUUGIC-QFIPXVFZSA-N 411.506 1.863 30 10 HDEE C[C@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)c1cc(F)ccc1F 730297507 PUJDFILALZDZBK-NSHDSACASA-N 408.382 1.929 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732676288 HWFHODZGIXOMMA-SFHVURJKSA-N 419.551 1.599 30 10 HDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 733614644 KSQGNWNDDGJUMR-UHFFFAOYSA-N 408.524 1.699 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCOc3ccc(C#N)cc3)C2=O)cc1 741971648 MGMNHFMEEHDTAY-JOCHJYFZSA-N 422.441 1.529 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 750680251 ZUXGHYJMTHJADT-OAHLLOKOSA-N 409.533 1.842 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCc2cnc(C3CC3)nc2)C1 758604176 LNYSHWUVGDONKR-CVEARBPZSA-N 400.483 1.955 30 10 HDEE C#CCCCC(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 760132271 QIXNYEUUHMOLLA-UHFFFAOYSA-N 412.533 1.035 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)cc1 762609953 CUCGHMXALGSIJW-KRWDZBQOSA-N 417.487 1.634 30 10 HDEE COCCCS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 767954865 GXDJZCWGZNWCOV-KRWDZBQOSA-N 406.508 1.701 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 772560106 JEGFAKSHAFMWRU-ZDUSSCGKSA-N 408.455 1.274 30 10 HDEE C#CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774039052 KJMCITSUFRGWIV-LJQANCHMSA-N 421.588 1.932 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(C)c(C(=O)OCC)s1)[C@H]1CCS(=O)(=O)C1 774251123 NDXYZGOYWWITIR-STQMWFEESA-N 413.521 1.521 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCc2cc(Cl)c3c(c2)OCCCO3)CC1 776002755 ULKMVXYLWDCHAS-UHFFFAOYSA-N 413.927 1.129 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ncc(C#N)s2)c(NS(=O)(=O)C(F)F)c1 776090038 ZTOZSKCMXZCQTF-UHFFFAOYSA-N 424.432 1.788 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 779217806 BVZLDSCHBPIUKO-BUHFOSPRSA-N 402.398 1.179 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)OCc3cc(O)n4ncc(C#N)c4n3)c2C)cc1 783094333 GQVICJOYIJUATG-UHFFFAOYSA-N 403.402 1.790 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)n1 788858157 ZXHUCHWGOBHAEQ-OAHLLOKOSA-N 419.507 1.083 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2c(S)nnc2-c2cccs2)CC1 789891623 UIPVMGHSNSDGQY-UHFFFAOYSA-N 411.516 1.911 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)n1 790110322 QWAOYMNOVMWTEJ-UHFFFAOYSA-N 417.429 1.580 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=S)NCCN2CCOCC2)CC1 795005703 WFFIIYVOXFWEES-SFHVURJKSA-N 407.971 1.729 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1F 801362339 HMIFTXRFPDLKHN-YSGBTYPNSA-N 416.409 1.360 30 10 HDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 802471049 ICTXMVALNVZBHE-IBGZPJMESA-N 413.478 1.932 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 803108444 WZTGARWTUNISFD-KRWDZBQOSA-N 415.494 1.628 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc(Br)ccc1O 806781848 SUUDHTJOBRXFRP-CCEZHUSRSA-N 409.240 1.480 30 10 HDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2F)n1 807929602 LCNJGBHEEVIGDP-HNNXBMFYSA-N 402.455 1.755 30 10 HDEE C#C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1 813051360 LSQOSTCLTLQCIS-LJQANCHMSA-N 409.465 1.933 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCc2cccnc2C#N)C1 813162632 XWWVTNQRWSEMJO-CQSZACIVSA-N 404.448 1.702 30 10 HDEE CC(C)(C)N/C(=N/CCCCN1CCN(c2ncccn2)CC1)NC[C@@H]1CCCO1 912507886 HGSSDTDHXKKAOZ-IBGZPJMESA-N 417.602 1.892 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)c1C 919047431 ZSDQHUWZNKZCBH-UHFFFAOYSA-N 422.445 1.237 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1124794968 BZMGUADBPAQPBH-KRWDZBQOSA-N 413.927 1.644 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)c3ccc(Br)cc3C#N)C2=O)n(C)n1 1126625636 CRSPSRJVYRAFLI-CQSZACIVSA-N 402.252 1.898 30 10 HDEE C[C@H](C(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1130750485 QMSJSHQGXPJEPY-RDBSUJKOSA-N 412.416 1.893 30 10 HDEE COCc1nnc2n1CCN(C(=O)[C@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1130811420 ZPKCNKBTQLIKFF-ZDUSSCGKSA-N 414.853 1.345 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](C)[C@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 1162509568 BDLHIGLWDBRJMQ-GUYCJALGSA-N 422.482 1.662 30 10 HDEE C#CCN(C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CCN(C)CC1 1178739877 UMQUFHIQDLAOIH-SFHVURJKSA-N 408.543 1.208 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]([C@@H]2CCOC2)C1 1180319253 BSZVAOAPCPHPDS-CGTJXYLNSA-N 405.520 1.890 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1213519402 HORHOCXAFMGBMV-GOSISDBHSA-N 410.515 1.081 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1277884265 BHYKYRYZMOFBBV-GFCCVEGCSA-N 402.501 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)c1ccco1 1286365849 KWGBHFXRRCVDSB-FQEVSTJZSA-N 414.487 1.919 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1csc(COC)n1 1286401095 NSENVLPTOGLKHB-HXUWFJFHSA-N 415.519 1.654 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1286410383 ADHQDWNMELXMAE-FQEVSTJZSA-N 405.550 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCSC2)CC1 1286491382 PLLYWEVLFKTLMX-SFHVURJKSA-N 424.574 1.983 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286505188 ZKRWWGHQZAOCFL-GOSISDBHSA-N 413.595 1.856 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCCNS(=O)(=O)CC 1286525225 IVVHWVABENYIOT-QFBILLFUSA-N 409.556 1.841 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCN(C)C2)CC1 1286647219 AVEBWGZDWFQIHC-FQEVSTJZSA-N 416.551 1.493 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC2CC2)CC1 1286792174 OYJIYAPDHXHHJC-UHFFFAOYSA-N 424.549 2.000 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286817099 PRFPVBSOVMSIBP-HOTGVXAUSA-N 405.524 1.945 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)Nc1ccc(F)cc1 1290863123 AESHUIDIPSHWFK-UHFFFAOYSA-N 420.452 1.958 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1293503465 GFJKPYLIPRIVTD-TZMCWYRMSA-N 411.911 1.846 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@@H]32)c1 1295287276 YPVZDFVWJWHHCB-YZGWKJHDSA-N 404.532 1.807 30 10 HDEE CCN1CCN(CCCCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1296192237 CIAZYYCXVAAWCB-UHFFFAOYSA-N 424.553 1.539 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1299685500 SYIMSNQEBUAPDD-UWWQBHOKSA-N 421.519 1.748 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1300324883 OEBVJCXLBGJZTB-HNNXBMFYSA-N 420.473 1.866 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)cc1 1300506588 VSTZNJSVPZEUKV-UHFFFAOYSA-N 406.490 1.228 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(F)c(COC)c1 1300544995 JRQJIXSAWGSWQW-UHFFFAOYSA-N 409.465 1.807 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1c(CC)nn(C)c1OC 1300665352 ZBMVRBMMYNVYDY-UHFFFAOYSA-N 409.494 1.779 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300707217 XFILWYBKBNXEFP-CVDCTZTESA-N 409.534 1.358 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301259796 OABLVFFAARBDGQ-KRWDZBQOSA-N 423.521 1.776 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1301475523 VAFMTHNZFWXHRK-XIRDDKMYSA-N 417.514 1.763 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1301566549 PCGQNLHRKXNSMG-QGZVFWFLSA-N 413.526 1.945 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C(C)C)CCOC1 1303507815 ZCLNFCFVAKDIMG-NSISKUIASA-N 407.515 1.454 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1305206586 RFHXTHGFDTWJOJ-AYOQOUSVSA-N 413.478 1.494 30 10 HDEE CCc1nnc(N2CC[C@@H](CN(CC)CC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306132347 GTNVYAUULMGBEO-QBNCKDSPSA-N 415.542 1.535 30 10 HDEE CCc1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306160484 ZSXYAHLFSRDAKL-FOCLMDBBSA-N 421.299 1.856 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306351349 LFSOVHRZULQEDL-YKHTYXQRSA-N 400.483 1.687 30 10 HDEE C#CC1(O)CN(C(=O)NCc2ccccc2CN2C(=O)NC3(CCCCC3)C2=O)C1 1311922542 GXSXRJRBTPHBFH-UHFFFAOYSA-N 410.474 1.331 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1313045877 UVABACAUKULZAY-UHFFFAOYSA-N 404.536 1.743 30 10 HDEE CCOCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1314466401 PNIMMEQIQWWORK-ZPHPHTNESA-N 411.466 1.339 30 10 HDEE CCN1CCOC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1355382083 FAYMXXRRUWKASH-HBNHWDEFSA-N 422.551 1.939 30 10 HDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1358967248 GSUZQTNRWHPOAT-INIZCTEOSA-N 416.503 1.827 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358967942 WACZDFFZOBGDRE-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)CC 1358995842 ICLWBCIJSHMPFK-UHFFFAOYSA-N 403.490 1.458 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1359126723 XFVPKFNVGJOWPU-QGZVFWFLSA-N 420.558 1.558 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC)CC1 1359161969 XIQHIONAZKLYKR-UHFFFAOYSA-N 403.508 1.641 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1359203279 MCZGVNPPFKHCIJ-DLBZAZTESA-N 419.555 1.970 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1359243112 FJAHQUABEKYXPP-HXUWFJFHSA-N 424.549 1.924 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1359252296 MNVWRYOWVPLMMB-UHFFFAOYSA-N 417.535 1.358 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1359297728 AAPIVIFDBVCJDN-AAEUAGOBSA-N 411.388 1.193 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2CCCO2)CC1 1359302322 CIBYOBVUPXAXTQ-IBGZPJMESA-N 410.522 1.962 30 10 HDEE C=CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1359342804 FPHAYZKDSNXKPW-QGZVFWFLSA-N 415.519 1.988 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)cc1 1441918191 UNUWQAHMZUNIJF-BLLLJJGKSA-N 423.516 1.330 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N(CCS(C)(=O)=O)C1CC1 1446258118 MBVUHVKBQPJOEW-OAHLLOKOSA-N 401.529 1.999 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)c1cc(=O)n(-c2nc(C)cc(C)n2)[nH]1 1447627453 JLLKJRAMROAZKF-UHFFFAOYSA-N 408.418 1.722 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@H](C)O)cc1 1455035641 BDPMAHKFEBVUHJ-QMIHWGKISA-N 413.499 1.178 30 10 HDEE Cn1c(N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(C#N)c(=O)n(C)c1=O 1458698142 HZGCUJAAPZEOFX-OAQYLSRUSA-N 417.510 1.716 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2COC(=O)N2CCC[C@@H](C)C2)CC1 1460070683 MEWHEALFONVMSV-UXHICEINSA-N 404.555 1.487 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCCN3C(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1462991098 VBFAGMYIBUIUFI-DEYYWGMASA-N 407.517 1.140 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnn(CCO)c2)cc1 1464343217 QXPQQBCLXKPPTE-RELWKKBWSA-N 419.507 1.721 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(C)(=O)=O)ccc1N 1464608311 YFLFWTVKZUOLGN-UHFFFAOYSA-N 400.504 1.748 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1466192578 XRIULJIHYDSJMV-OAHLLOKOSA-N 418.498 1.430 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1466312635 OZDUUCOBZASEDK-UHFFFAOYSA-N 407.470 1.436 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1468124498 DKGXXNXMHBSZIW-LBPRGKRZSA-N 419.297 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)C1 1469728374 GOKJXBAVIPFPSD-LUGNKYPNSA-N 412.512 1.153 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C1CCCC1 1470667402 QTWDZHRGGHSSGM-SFHVURJKSA-N 405.524 1.538 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC(c3nc(-c4ccccc4)no3)C2)c1 1472623569 BQFZEKINFYKSKH-UHFFFAOYSA-N 423.454 1.513 30 10 HDEE N#Cc1c(NC(=O)CN2CCC(NS(N)(=O)=O)CC2)sc2c1CCCCC2 1473705295 YTPIDRAHFSXWOL-UHFFFAOYSA-N 411.553 1.085 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1503228046 LRISTCFBSBMPKU-KRWDZBQOSA-N 411.466 1.823 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1503970376 GAVFTHWWSRZPMN-ROUUACIJSA-N 415.519 1.865 30 10 HDEE COc1ccncc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1504455561 CRITVTKMQYHKDI-OAQYLSRUSA-N 409.494 1.982 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1504953440 FAZVEFGXDDISRM-DXQAYGFFSA-N 416.482 1.295 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1COCCO1 1505083208 UZZBFCJVDDFKQL-KSZLIROESA-N 405.499 1.548 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1507535633 XLDNOWLFSZMCCY-DZGCQCFKSA-N 413.478 1.761 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1507603586 WXSLEDYABNYHDI-OAQYLSRUSA-N 405.543 1.499 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1507639524 KXGPNVFWCPNWQW-KRWDZBQOSA-N 419.551 1.384 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507641200 ANTIQMFMCFOCSU-JOCHJYFZSA-N 422.489 1.405 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507750354 RJVMMIYTTICKEM-MRXNPFEDSA-N 413.507 1.919 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)CC(=O)NC(C)(C)C 1507756322 MOVNUVXJENNOGP-UHFFFAOYSA-N 400.552 1.981 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1508085137 FUYMIXWHZROYSG-BRWVUGGUSA-N 412.469 1.473 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099468 YPOUTWXUENQXAR-IIBYNOLFSA-N 421.542 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(CCS(C)(=O)=O)C2CC2)nnc1C(C)(C)C 1508149412 UMKVZRDBDLQCJV-UHFFFAOYSA-N 418.585 1.190 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1517944973 GSJDGVYSJUZCIY-CQSZACIVSA-N 404.474 1.953 30 10 HDEE Cn1nc2c(c1C(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CS(=O)(=O)CC2 1531515436 ODUAPFBGAUCWCK-UHFFFAOYSA-N 414.487 1.446 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1CCC2(CCOCC2)CO1 1534675027 DQPLISJSJCOOSM-OAHLLOKOSA-N 421.519 1.207 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1536038477 HAYCSGRAGMUOEM-HNNXBMFYSA-N 405.410 1.704 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1539180341 ZVSVHHPMQDUDKP-GOSISDBHSA-N 417.535 1.232 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1539199734 SOPUNEFSPSPYNE-RISCZKNCSA-N 412.227 1.329 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(OC)CCOC1 1539265447 GCLJSKHLKBMYII-KNQAVFIVSA-N 408.458 1.669 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1539286478 DBZCQQDCEPGVEK-IFXJQAMLSA-N 407.471 1.518 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)noc2C)CC1 1539430277 HVYYRQQBCHEOAG-OAQYLSRUSA-N 414.510 1.339 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN2CCOC2=O)CC1 1539446004 NNXBJQTXGPDIDM-UHFFFAOYSA-N 409.494 1.246 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C(C)C)C(C)C)CC1 1539446056 PDNDSSNPSDWMOG-SFHVURJKSA-N 401.559 1.103 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539779790 GJPBPEHUPNULEE-AWEZNQCLSA-N 421.288 1.498 30 10 HDEE C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1(S(C)(=O)=O)CC1 1539851749 XHHVEGMQTBMDMA-DGCLKSJQSA-N 409.895 1.646 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(OC)CCOC1 1540164399 NTUZUEQHTJQTMV-HXUWFJFHSA-N 401.467 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(N(C)C)CCSC2)C1 1540891696 YGPJTXNYNMKZPK-JXXFODFXSA-N 420.583 1.448 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1540913185 PAEZJGVFRBNQLQ-UHFFFAOYSA-N 415.567 1.593 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCN(C)C2)cs1 1542913563 CHRLFMARHNUPNJ-QZTJIDSGSA-N 405.503 1.142 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1546532894 FSMYKGAVVZUNPW-MRXNPFEDSA-N 403.531 1.932 30 10 HDEE CCOCc1nnc(N(C)C[C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1548090386 WDPYMAKRTWPHRQ-MJWGMMHASA-N 418.498 1.346 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCOCCCO)cc1 1555989025 WJNMVRKTDRBGGS-SJORKVTESA-N 413.434 1.330 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1cc(F)c(C#N)c(F)c1 1556317767 MEKPVLMVWTUFIL-MRXNPFEDSA-N 422.432 1.968 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC4(CCNC(=O)O4)C3)C2)C1 1558627467 AORUONFACFYOBU-SHYRYGCCSA-N 404.467 1.484 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1564119849 GTFDKSWTCVZKNG-CVEARBPZSA-N 405.501 1.898 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCCc1ccc(C#N)cc1)CCS2(=O)=O 1565064369 FOSDTELWHWMKSJ-OHTSDLOESA-N 419.503 1.299 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCCC3=O)CC2)s1 1565668412 IVIFIAMPQFBOMP-UHFFFAOYSA-N 411.549 1.368 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)[C@H](C)C(=O)OC)c1cc[nH]n1 1568712684 DJGDORPETWCUNO-CQSZACIVSA-N 416.434 1.284 30 10 HDEE C#CC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 1570218937 NVIAFSAVYKPDTK-HTAPYJJXSA-N 407.426 1.288 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)N4CCOCC4)cn3)cc2C1=O 1583075585 YXWIVEHUEOHUKD-UHFFFAOYSA-N 420.425 1.588 30 10 HDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 1584853222 MOQOPPFVOWMKSB-ZCXUNETKSA-N 406.464 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1587568221 OTEVHCHAQDJZSC-FOIQADDNSA-N 402.499 1.965 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN(C)CCOC 1587979700 XKPCPYJDDVYFKK-UHFFFAOYSA-N 409.494 1.632 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1588112962 CVWQNHWTWDIMGG-SBUREZEXSA-N 424.501 1.965 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1589528654 HNCYVKSWJIXJTC-MDZRGWNJSA-N 413.526 1.752 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1594733767 YGAFAVZSOJVEHY-HNNXBMFYSA-N 403.508 1.810 30 10 HDEE C=CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1594774223 JAFDHWDUTRRJEM-YLJYHZDGSA-N 407.515 1.238 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CCOc1ccc(F)cc1 1595544507 IUDSJBQARADTDR-OAHLLOKOSA-N 403.458 1.739 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC[C@@H]2C)C1 1595738449 POBQZHWDPQMBSI-ICSRJNTNSA-N 412.538 1.766 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1598070244 SBMCDBRMOLQBGF-GJZGRUSLSA-N 424.498 1.244 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1608475189 ZSSILBYOAVUFHI-FQEVSTJZSA-N 413.482 1.456 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1611778035 AWMYMEZPGXKRRH-HTAPYJJXSA-N 424.505 1.857 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCC(C#N)(C(=O)OC)CC2)c([N+](=O)[O-])c1 1612378012 AFZCUXNACMFVFI-UHFFFAOYSA-N 424.479 1.908 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1617635399 CTORSIMYVBXZCM-DJIMGWMZSA-N 402.524 1.875 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c1 1626114813 QCSUDAZJBSNIIF-UHFFFAOYSA-N 421.494 1.988 30 10 HDEE C=CCN(C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1626455935 AKYRMEBGKQRQDP-LSDHHAIUSA-N 403.545 1.033 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC1(CC#N)CC1 1626551112 RKUFPBVWTFAPBH-RRFJBIMHSA-N 411.524 1.467 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c(C)cc(C#N)cc1C)CCS2(=O)=O 1627430306 RKUHCMOLFKUGBL-LFDOHDQPSA-N 404.488 1.804 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)c1 1628297109 BAJIVQMLAUAVPW-UHFFFAOYSA-N 420.531 1.489 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ncc(Cl)n2C)s1 1631540929 KTHULQKQXSQYQK-UHFFFAOYSA-N 402.929 1.800 30 10 HDEE COC(=O)C1=CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1632895817 SHEUHNMVGYTKCC-HNNXBMFYSA-N 419.503 1.664 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)c(OC)c1 1633692515 UMGOMKZJQULPOT-OAHLLOKOSA-N 400.431 1.998 30 10 HDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)[C@@H]1CCCO1 1634531470 UXCGQXLCWIMXFL-GJZGRUSLSA-N 412.533 1.052 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCn2cnc3ccc(Br)cc3c2=O)C1 1634554523 CFQZCMSZPZFQRW-HNNXBMFYSA-N 417.307 1.763 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(Br)nc3n2CCC3)n1 1634601784 SIMKHYUKNKSKSX-UHFFFAOYSA-N 406.284 1.710 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OC 1635631029 TYSVVDHOLNPSEF-HNNXBMFYSA-N 412.512 1.051 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccnc(C#N)c3)c2)C[C@H](C)O1 1635744314 CBLBOBNJLNQZRE-GJZGRUSLSA-N 414.487 1.681 30 10 HDEE N#Cc1c[nH]nc1NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1639694261 KTGQNDQNUADFPB-UHFFFAOYSA-N 401.370 1.997 30 10 HDEE Nc1nc2c(s1)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1640505010 VWZPBNNJFAHLBQ-NSHDSACASA-N 419.532 1.218 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(N)=O 1640759882 SJPNJBVUIOIJST-KGLIPLIRSA-N 402.923 1.478 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCC#C[Si](C)(C)C)C1=O 1641159080 HVFCVDAGNCCKRQ-FQEVSTJZSA-N 401.539 1.849 30 10 HDEE C=CCCONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1642533512 GDBFCXYZAMCQOF-UHFFFAOYSA-N 424.260 1.779 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1644229270 GBBMYVKKGBEMQQ-OAHLLOKOSA-N 423.510 1.306 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1645390948 GUVIVBLAZNTFKF-UHFFFAOYSA-N 413.244 1.910 30 10 HDEE C[C@H](O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1647759183 HYAFKKZAILPCDI-IFXJQAMLSA-N 401.488 1.744 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 1648799649 QMZIYVRHGSVRRM-MRXNPFEDSA-N 402.499 1.610 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)cc1Br 1650788078 HZYCBCVMMWYTBF-HOCLYGCPSA-N 408.252 1.206 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ncoc2-c2ccccc2Cl)CC1 1650846253 OXVMLTYJSIZXFF-UHFFFAOYSA-N 408.867 1.220 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1652070458 BUEZWNACTKBEDM-HNNXBMFYSA-N 418.498 1.726 30 10 HDEE N#CC1(C[C@@H](O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CCOCC1 1652936619 BWKKFKZWUXHUAF-SJORKVTESA-N 413.474 1.055 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccnc(N(C)C)c2C1 1653817544 YNDJAOLRPFOYOY-CQSZACIVSA-N 413.503 1.271 30 10 HDEE C=C(C)[C@H](CO)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1653888269 PSPPQAGCXZCNKW-SQNIBIBYSA-N 408.543 1.791 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CC[C@H](CNS(C)(=O)=O)C2)c1 1655527690 ONIXAZKUQOPHOW-ZWKOTPCHSA-N 406.552 1.810 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)CC1 1665160083 SLJHZHRTZNEZOZ-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)C(=O)OCC 1665498198 YJHUYAAWJGDNAP-CYBMUJFWSA-N 402.856 1.161 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1F 1667577706 IFELWLJLQVBCCH-CYBMUJFWSA-N 420.441 1.949 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC 1668852119 DATRWWUDVBNADK-JTQLQIEISA-N 412.342 1.636 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CC1 1670465043 ABCOWYXGMKJNOB-VOTSOKGWSA-N 409.460 1.039 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC(F)(F)F)nc2)CC1 1670858853 QTZUEEBURHSSBR-UHFFFAOYSA-N 423.442 1.311 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1674888062 ORIJJYXCIPCTMQ-CQSZACIVSA-N 415.462 1.409 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)nn1 1680287683 HHVWCYCAGPXMCF-OAHLLOKOSA-N 400.483 1.807 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc3ncsc3c2)CC1 1681588806 YQWGMIJOXBEGDQ-CYBMUJFWSA-N 407.521 1.152 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2nc([C@H](C)OCC)no2)CC1)C1CCOCC1 1684035291 IDKKGFRVAGYDGG-DOTOQJQBSA-N 405.499 1.423 30 10 HDEE CSc1ccc(CNC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)cc1C#N 1685267115 RFLPAYWXVJKNAQ-KUHUBIRLSA-N 401.492 1.942 30 10 HDEE C#CC[C@H](COC)NC(=O)N(CC)Cc1nc(O)c2cc(OC)c(OC)cc2n1 1687206150 MLTAFMMTSMIOGJ-CYBMUJFWSA-N 402.451 1.922 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1689867646 VJNKIYXAGRZAQV-CKJXQJPGSA-N 419.526 1.959 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1689887087 OPRMMQOZTCOUKQ-QGZVFWFLSA-N 408.510 1.904 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1689902243 XKLXGPZQMWEQCP-OAHLLOKOSA-N 414.535 1.740 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(O)CC(OCC)C2)CC1 1690124539 NXMQGTNOWNCLPO-IDYZSHNDSA-N 403.527 1.205 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccnc2OC)CC1 1690154640 VLTBIDGJHWRLNK-GOSISDBHSA-N 424.505 1.547 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690175226 SBWCNYYCYQVCEY-IRXDYDNUSA-N 403.552 1.740 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)C1 1690699666 HRYYYAJWOSILDR-CHWSQXEVSA-N 403.405 1.242 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690742753 ZYRDXVABWCJZJU-HOTGVXAUSA-N 418.567 1.740 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1691111120 YPVCXBCRDMWRGD-CABCVRRESA-N 412.485 1.660 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697782458 TVNQOYBZEPJRES-IAGOWNOFSA-N 415.473 1.360 30 10 HDEE C#CCCCC(=O)N1CCOC2(CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1702858224 AGXOGWGRTWWJEE-GNBHSNQFSA-N 400.519 1.870 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705519959 CPOVVHHFVOOWRG-LAUBAEHRSA-N 401.511 1.588 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2(C)COC2)n1 1705631371 BWOTYAMFPXARMT-KRWDZBQOSA-N 414.510 1.301 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705652314 VJAXMEWBSOTWRM-MRXNPFEDSA-N 420.583 1.476 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(OC)C1CC1 1705674580 MIVIUARPZWANPV-BEVDRBHNSA-N 406.552 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)OC)C1 1705696006 DJUBLLGOADHQEJ-MLHJIOFPSA-N 422.526 1.983 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1706058456 BUSWVSRXOFUTQJ-LJQANCHMSA-N 409.494 1.448 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1706681304 XSDWCLLWPOIRND-RXVVDRJESA-N 420.558 1.778 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC(=O)N1C 1708233787 BLIOBBDRVBIOOO-APWZRJJASA-N 422.489 1.741 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1710908901 CGICUASHFPCBMQ-AFJIDDCJSA-N 415.519 1.581 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1722396158 FWKHRJVBECMYCH-IBGZPJMESA-N 407.474 1.778 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCOC1 1722423744 NIDBJCGYGOKXFL-QGZVFWFLSA-N 422.493 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@@H](O)C2)CC1 1722448177 VBEDPRADFJNBDT-PKOBYXMFSA-N 401.555 1.994 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(CC)C(C)C)CC1 1722450053 VQNVBABHPRBOHR-UHFFFAOYSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC2CC2)C1 1722458127 DGLRCGSNIAQXLP-DLBZAZTESA-N 403.552 1.991 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)CC1 1722462382 LCKGUHYPNLYPSW-UHFFFAOYSA-N 409.519 1.209 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCN(C)C1 1722658143 FWKGCMSAEXOAIS-QHCPKHFHSA-N 424.549 1.660 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)F)C1 1722685440 GZZZKXZUVISXBR-CHWSQXEVSA-N 405.471 1.279 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722686624 PCIBSVCUUDDXSW-UHFFFAOYSA-N 404.478 1.682 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCS(=O)CC1 1722688527 FAMKHHKNXDOFFH-CQSZACIVSA-N 421.498 1.428 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCS(=O)CC1 1722706657 WUFYYBVWSLFLCT-UHFFFAOYSA-N 417.535 1.345 30 10 HDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1722742497 VYIMPOSSHKSFFH-HNNXBMFYSA-N 422.580 1.504 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1729396465 FMBAYSXSLFEOSR-FQEVSTJZSA-N 415.519 1.603 30 10 HDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1730345742 HDOLDRAKVJLNKK-UHFFFAOYSA-N 424.486 1.503 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740610183 UEDQQOKHJOPCIJ-FQEVSTJZSA-N 409.534 1.856 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1740613875 WWDQTBNSADWGLX-UHFFFAOYSA-N 406.368 1.477 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1740664007 XTRBVNBOBCRZFA-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(OC)c2)CC1 1740699229 YQLHIQNRZVJPCR-UHFFFAOYSA-N 408.506 1.213 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)SC)CC1 1740704024 GEJNNIMXVLXWHA-AWEZNQCLSA-N 401.540 1.396 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2([S@](C)=O)CCC2)CC1 1740705399 GDQCAXDOQRDIPJ-NDEPHWFRSA-N 403.552 1.423 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1740795185 PECFSKCXLLOWLN-GOSISDBHSA-N 413.526 1.881 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1740899020 CYZPZUCJGLQJHW-ZWKOTPCHSA-N 424.615 1.076 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C 1740964574 FGGVXNVJHHXMHY-AWEZNQCLSA-N 417.514 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)[C@H](C)C1 1740990233 MVQZNYUFXYTIML-ZIAGYGMSSA-N 421.523 1.699 30 10 HDEE Cc1cccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742334207 LLVNXAOJNJMXEZ-MEUCICPISA-N 423.477 1.400 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@H]1OCCC1(C)C 1744689335 SSUUMUNJLMIFHO-KRWDZBQOSA-N 412.542 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1748642327 NGLPFVJLNALWSH-KSFYIVLOSA-N 411.506 1.924 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1748671288 IGHJPMSTNCCKPL-WBVHZDCISA-N 400.479 1.668 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCOc1ccc2c(c1)OCO2 1748841309 YFGCRXIRHFQZAE-UHFFFAOYSA-N 404.430 1.559 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(O)CCCCCC2)CC1 1748978196 NTSVVZMYUBVFAM-LJQANCHMSA-N 419.570 1.843 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCc2cnn(C)n2)CC1 1748984251 OJEUPTHPMZOQNM-UHFFFAOYSA-N 404.522 1.770 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CC(OCC)C2)CC1 1748991379 VOIIREGMLVDRMP-ABHNRTSZSA-N 400.527 1.190 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H]2C[C@H](F)C2)CC1 1749009017 FBQRVQOGMHTRSE-DJIMGWMZSA-N 416.501 1.333 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749229925 RAGFBSJTHUVZAA-BRWVUGGUSA-N 408.499 1.473 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1749408185 GRXAMJRNPYQFAJ-UHFFFAOYSA-N 418.523 1.905 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749445849 ZNVJPVWLNWKYRC-KRWDZBQOSA-N 420.558 1.558 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749521078 GYGOIVWZZHACOZ-GOSISDBHSA-N 423.564 1.338 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1750382773 KJLSJEZNZQQOFI-UHFFFAOYSA-N 421.461 1.248 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1760115114 ZBLAASOLJHOLFC-CQSZACIVSA-N 408.462 1.593 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1760117352 OBUGDLUOURYWIK-KBPBESRZSA-N 423.926 1.766 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC(=O)NC 1760147082 GTQOZWPKNNIHOL-UHFFFAOYSA-N 403.508 1.334 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1760152157 WWIXNBSJLMTEDR-DLBZAZTESA-N 411.510 1.516 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1760204885 GDLXPXDJUIZBQA-QGZVFWFLSA-N 409.456 1.957 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(OC)CCOC2)CC1 1760255482 BRUZWRKNXFWTKH-FQEVSTJZSA-N 416.913 1.554 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)COC(=O)N2 1760359390 MBUPJGUIHIEPFI-UHFFFAOYSA-N 412.494 1.935 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1760421615 VGZMCHSVWOQJEH-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](OC)C1 1760518287 OVZBJAFNCLKTDU-OAHLLOKOSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(C)C)C1 1760520985 GRARALFGFDJOOL-INIZCTEOSA-N 416.482 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC(C)(OC)C1 1760558198 ITIFKZFWLWDNON-UHFFFAOYSA-N 424.498 1.822 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C 1764995522 HPKKSYKOSSIWOT-GOSISDBHSA-N 404.478 1.622 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-n2ccnc2C)nc1 1766428361 HJELXLGAURYPGE-QGZVFWFLSA-N 408.466 1.481 30 10 HDEE CCS(=O)(=O)NC1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1766709241 UQKANZBISANRDB-UHFFFAOYSA-N 404.496 1.577 30 10 HDEE CN(Cc1cnccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768710223 OPLFBFJBGVCKQX-ZDUSSCGKSA-N 413.463 1.120 30 10 HDEE CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1769327453 DIWZPZYMAAWZBE-GOSISDBHSA-N 405.462 1.859 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)C1 1770107594 OEFSIYSHSBCTRU-LJQANCHMSA-N 407.478 1.840 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1cnn(C)n1 1771181718 XJDZQCBGELVQAO-MRXNPFEDSA-N 416.530 1.893 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1771348313 BXZNLYDTXIJFPV-JKSUJKDBSA-N 405.480 1.656 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1848511642 JHAMCTAPJUJPIF-UHFFFAOYSA-N 403.435 1.875 30 10 HDEE C#CCC(=O)N(CCN1CCOCC1)c1nc2ccc(S(C)(=O)=O)cc2s1 1848843446 SYUQADFYXMRRIF-UHFFFAOYSA-N 407.517 1.388 30 10 HDEE C=C1C[C@H]1COC(=O)CN1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1)C2=O 1849531430 KKVMZKXUMRLKCL-INIZCTEOSA-N 401.438 1.831 30 10 HDEE N#CCc1ccc(C(=O)N2CC(=O)C3(CCN(Cc4ccccc4)CC3)C2=O)nc1 1851564711 FGYBHHKCWGAAEM-UHFFFAOYSA-N 402.454 1.982 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(c3ncnc4ncccc34)CC2)cc1 1852388236 OFXPKKRVUIAZTA-UHFFFAOYSA-N 402.462 1.840 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c1C 1853177205 IZPIQEZJLQFBPO-UHFFFAOYSA-N 408.402 1.963 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N(C(C)C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1853859487 PBGZNWBUZHTWFL-MOPGFXCFSA-N 417.531 1.895 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CC(F)(F)C4)C(=O)C3)C2)c(F)c1 1854237880 LAUWCJNNUMZQRO-KRWDZBQOSA-N 420.435 1.988 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2Cl)C(=O)C12CCCC2 1854400731 CEHGXSPFDRYTEO-UHFFFAOYSA-N 413.858 1.930 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccn2)C(=O)C12CCCCC2 1854415771 MPFGRLZTEPSUIE-JKSUJKDBSA-N 416.503 1.412 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(CC(=O)c3ccc4c(c3)OCCO4)CC2=O)cc1 1854462719 ZEVALVKKZIANKN-UHFFFAOYSA-N 405.410 1.497 30 10 HDEE COc1cccc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1OC 1854955965 HQIHMLUPZPFTDL-IAGOWNOFSA-N 414.506 1.755 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CCN([C@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854967159 KJPJEHHMYAYBBZ-SJORKVTESA-N 401.511 1.924 30 10 HDEE COc1cc(CCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)ccc1F 1855028244 UFUQMOYOSZKGCR-QGZVFWFLSA-N 402.470 1.426 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855073457 AQOAEUKFYLEEPJ-ROUUACIJSA-N 411.568 1.608 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1C#N 1855320586 IEDDXTOGHDEVLO-RTWAWAEBSA-N 410.518 1.795 30 10 HDEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1855596458 KMTFUSKPLZHOLB-QZTJIDSGSA-N 403.504 1.127 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3OC)C2)CC1=O 1855759153 QWMRDZRICRJIDO-INIZCTEOSA-N 421.519 1.095 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N(C)CCc3scnc3C)C2=O)CC1=O 1855861133 GNRNPYJVKCZYON-DLBZAZTESA-N 418.563 1.868 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)C2CC3(CCC3)C2)C1)C1CN(c2nccnc2C#N)C1 1856234086 VSBSWIVNMQRSMX-HNNXBMFYSA-N 408.506 1.424 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(C)on3)C3(CCCCC3)C2=O)CC1=O 1857121923 AXMFIUVHOBVUIL-KRWDZBQOSA-N 414.506 1.891 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc(OC(C)C)c2)C1)[C@@H]1CCN(C)C1=O 1857237206 WOXWNCBAJXXHKY-VQIMIIECSA-N 414.506 1.576 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1857242776 OKWMWKMJMHOXQC-IAGOWNOFSA-N 416.547 1.628 30 10 HDEE CCCC(C)=CC(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857388586 GMAXSVIUDSUBEL-QGZVFWFLSA-N 410.522 1.980 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1 1858966383 JFLPBZZHRDKDNA-UHFFFAOYSA-N 407.835 1.713 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862596389 MUGHKCQIOYBCRQ-QGZVFWFLSA-N 414.370 1.967 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCC[C@H](C)C1 1870542042 MNXVHEADBNKTNB-PKOBYXMFSA-N 403.523 1.940 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2C)c(=O)cc1CN(CCO)CCO 1870707366 HXBAMLKEBIWQPG-UHFFFAOYSA-N 415.490 1.147 30 10 HDEE C#CCOc1cn(CCCO)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871005869 DBQWDLCIEJNAMW-UHFFFAOYSA-N 410.518 1.607 30 10 HDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SC)cc(Br)c1O 1874430196 XNILLDASSAJIMO-UBKPWBPPSA-N 414.285 1.995 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc(N(C)C)c3)CC2)CC1 1889433481 GJJZSLQLYOCHTL-UHFFFAOYSA-N 413.566 1.410 30 10 HDEE COc1cc(N2C[C@@H](CNC(=O)c3ccnc(C#N)c3)OC2=O)cc(OC)c1OC 1890783501 WTMAJGZTXHMTNB-OAHLLOKOSA-N 412.402 1.734 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 1925839958 OQPWHXSWLBZCBB-GUYCJALGSA-N 403.501 1.556 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181132970 MSNNLDDZSHXPQP-ZDUSSCGKSA-N 417.553 1.914 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nn(C)nc1Br 2219808236 KCUDXUNVGGWTSO-LLVKDONJSA-N 414.304 1.843 30 10 HDEE Cn1nnc(Br)c1[C@H](O)[C@@H](N)C#Cc1ccccc1Br 2235720325 CFADZPGKVUQQQE-CMPLNLGQSA-N 400.074 1.753 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 2247773941 QKMIHSPSCVQUNS-ZDUSSCGKSA-N 424.303 1.503 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247837957 AIZMIGWRVPGNPV-ZIAGYGMSSA-N 422.287 1.601 30 10 HDEE COC(=O)[C@@H](CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2249998942 PFMNGFJSWKECJT-CQSZACIVSA-N 424.303 1.584 30 10 HDEE Cn1nc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)cc1B1OC(C)(C)C(C)(C)O1 2255837454 POYMJAAMGXWSIU-IAGOWNOFSA-N 422.338 1.580 30 10 HDEE C[C@@H]1C[S@](=O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267368217 FURGVNOJOLUPDB-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE CN([C@H]1CCSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703505 XHOIYNLYXAHWPU-NSHDSACASA-N 404.388 1.709 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C[C@H]3CO)cc2Cl)OC1(C)C 2267706001 PRWPWYRYJBIFRB-UWVGGRQHSA-N 407.750 1.607 30 10 HDEE CN(Cc1nncs1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267712939 IYLVEFFCJMYPJC-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270516904 NCSPYBGEGNWQRI-GOSISDBHSA-N 422.503 1.662 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281803708 AXAOOZGRVDTUGR-LLVKDONJSA-N 402.347 1.384 30 10 HDEE CO[C@@H]1C[C@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281972515 NNNDTCMYKYIMSI-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCN1C 2282320160 DSXVIGLWPMFYMD-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](O)CC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282321302 VRSOOMYXWJVCKA-GFCCVEGCSA-N 401.359 1.890 30 10 HDEE C[C@H]1CN(C)[C@H](C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333183 LHXGVMZKXYKWOO-OLZOCXBDSA-N 400.375 1.760 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCCC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2282498544 GCJLGSPJMUVBHV-UHFFFAOYSA-N 403.331 1.807 30 10 HDEE CON(C)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282504497 PQOQORVHVYPSLJ-UHFFFAOYSA-N 404.363 1.436 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNCC[C@H]1C 2282835971 ZYNKIVBOEYKYSC-YPMHNXCESA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@]2(C)CN)OC1(C)C 2282836550 LOANXAQTWGDYLV-MRXNPFEDSA-N 401.363 1.085 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)NC2CCC3(CC2)OCCO3)OC1(C)C 2282867979 GWNSFERGKPOMKO-UHFFFAOYSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)c2)OC1(C)C 2284400913 ZESATNXGNQVJCM-GFCCVEGCSA-N 401.315 1.675 30 10 HDEE C=CCC1(C(=O)N[C@@H](CSCC(=O)O)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2288482404 FHGFAJFBCJOINV-NSHDSACASA-N 402.469 1.187 30 10 HDEE COc1ccc(C=N[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 2294703355 HACFRBFDVVSBHH-NEPJUHHUSA-N 413.710 1.766 30 10 HDEE C[C@]12C[C@H](O)[C@](CCO)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12 2295063959 BPJNTBUSZBJIOJ-MIMASFHYSA-N 410.348 1.357 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccncc1 2329035227 LYIQDWFEFWXNEO-AWEZNQCLSA-N 402.480 1.545 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789432 DCQIDBJGACRJJM-FZKQIMNGSA-N 401.481 1.484 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C 2367792240 MSSFQGPOFYOEJO-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813927 HFBANHYVKHLRTE-RLFYNMQTSA-N 400.541 1.435 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1 2375780231 JGTLUYVFPVXCCR-KDOFPFPSSA-N 402.513 1.420 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)c1cccc(F)c1C#N 2382018416 VGLWUZCWLRFOBL-UHFFFAOYSA-N 406.180 1.836 30 10 HDEE CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 16775680 JVYXSSSFUBQFCQ-UHFFFAOYSA-N 412.471 1.663 30 10 HDEE C[C@@H](C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1)n1cnc(C#N)n1 409673169 MNPBKWVNKOPWIE-HNNXBMFYSA-N 401.902 1.693 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)CC1 426558049 GFHDVDMRBWEBJO-PMACEKPBSA-N 412.538 1.553 30 10 HDEE COc1cnccc1N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 432429317 FJDQPWJHVQQOND-UHFFFAOYSA-N 404.434 1.897 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)cc1 444412706 RBPSINKOUKFAQB-KRWDZBQOSA-N 417.535 1.592 30 10 HDEE C[C@@H]1O[C@H](C)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H]1C 446059505 FNFOKZYPJAHIKF-PMPSAXMXSA-N 413.478 1.953 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CCC(=O)N(C)C)CC1 473050919 WMUIDZPMDFUVRQ-SFHVURJKSA-N 415.538 1.426 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(CC(F)(F)F)C(=O)C1 480294506 OASRWBCSTQBIIT-UHFFFAOYSA-N 400.357 1.822 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483455886 DYWYSNOXSOTJEG-AWEZNQCLSA-N 405.480 1.786 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1=O 499417436 VPKNSRZIRXOYCP-GFCCVEGCSA-N 405.208 1.107 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN([C@H](C#N)c3ccccc3)CC1)C2=O 509127374 XLQDJQPUMMJHDT-ZUZNIGHFSA-N 423.517 1.896 30 10 HDEE COC(=O)CCCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 520654981 XVBHOIIULPXWLA-UHFFFAOYSA-N 401.423 1.981 30 10 HDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 531147860 FLIUVNTZPLPBAB-UHFFFAOYSA-N 414.443 1.542 30 10 HDEE C=CCOc1cccnc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 538246521 VILHSWBKPHNFEU-UHFFFAOYSA-N 423.516 1.659 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 545504525 RMSVGIHKXHFWPG-KRWDZBQOSA-N 423.517 1.840 30 10 HDEE CCOC(=O)c1c(C)oc2nc(CN3CCN(c4ncccc4C#N)CC3)nc(N)c12 547738428 GRXWCLHEYFKHIT-UHFFFAOYSA-N 421.461 1.879 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 558995338 XQWUXXNSWKESJJ-IRXDYDNUSA-N 411.510 1.658 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 561043976 WFUWPMYBGPJQCK-MRXNPFEDSA-N 401.492 1.756 30 10 HDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N1CCCN(CCOC)C(=O)C1 581016827 HRDAGNYHFOQLQR-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE C=CCn1c(Cc2noc(C(C)(C)COCC(F)F)n2)nnc1N1CCOCC1 582691098 NJANHIMMVFSJBK-UHFFFAOYSA-N 412.441 1.834 30 10 HDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 585088878 DZFGAEMJEORZNI-IBGZPJMESA-N 419.483 1.453 30 10 HDEE CN1C(=O)N(CC(=O)Nc2ccccc2-n2ncc(C#N)c2N)C(=O)C12CCCCC2 590544187 SASHYIKLQIPSEN-UHFFFAOYSA-N 421.461 1.862 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 604178078 ICWBQJZENJAXDS-AZUAARDMSA-N 404.486 1.675 30 10 HDEE CN1CCN(C(=O)CC2CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)CC1 610987493 PIJBUNCZJBQKJN-NRFANRHFSA-N 414.550 1.368 30 10 HDEE C[C@H]1C(=NO)C[C@H]2CC[C@H]1N2S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 686165689 FANIYLSHTISTAB-OGHNNQOOSA-N 405.476 1.706 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCOC1=O 728277960 MAYHCSWJXDENHY-HNNXBMFYSA-N 422.507 1.242 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)[C@H]1CCSC1 729426131 MDNGWGCDPOVSMV-GJZGRUSLSA-N 423.560 1.628 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1C1CC1 732652243 SJYMTTWUGNQBKD-HKUYNNGSSA-N 402.520 1.429 30 10 HDEE C=C(COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 734034352 HZSUANAVSYRJIB-OAHLLOKOSA-N 412.420 1.410 30 10 HDEE C[C@H](CC(=O)NCCOc1ccc(C#N)cc1)/N=C1/NS(=O)(=O)c2ccccc21 742708639 LZQBOMPFAJARLV-CQSZACIVSA-N 412.471 1.571 30 10 HDEE CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746189256 MNBVMSOWUUVENL-IAFNSTAXSA-N 418.475 1.056 30 10 HDEE COc1ccc(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1OC(F)F 746196221 HDYYBQUSJRUXJC-ISLYRVAYSA-N 409.389 1.872 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1 753745331 ZRTJLICSXZTVHP-VOTSOKGWSA-N 409.508 1.962 30 10 HDEE Cc1ccnc(C2CCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CC2)n1 756248561 NVPCMEWWMSQQHA-UHFFFAOYSA-N 413.503 1.915 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758542148 JHAJJGOKCUTSPI-UHFFFAOYSA-N 420.538 1.963 30 10 HDEE N#Cc1cccnc1N1CCN(Cn2nc(CO)n(-c3ccccc3)c2=S)CC1 762006368 XMHSBRZQOJVZFR-UHFFFAOYSA-N 407.503 1.942 30 10 HDEE CN(C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@@H]1CCN(CC(F)(F)F)C1=O 764744196 BXLDVUJLSDEKFF-CYBMUJFWSA-N 407.356 1.766 30 10 HDEE CCN1CCN(CC(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)C1=O 764753465 PWGDJKYWOYWEEB-UHFFFAOYSA-N 414.249 1.391 30 10 HDEE C#CCN(C(=O)[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 764869499 AELVYULTQPHFFT-JKSUJKDBSA-N 410.536 1.673 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 767547583 IONWOQSRMLZRDL-LJQANCHMSA-N 416.434 1.889 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc2nc(N3CCOCC3)oc2c1 769381590 HOAYJLBUNZCVNG-VHEBQXMUSA-N 411.418 1.519 30 10 HDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 780915588 VJNJBKNJGHMUQK-FQEVSTJZSA-N 408.458 1.627 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 785119667 RRLVRZAALMHSQO-CQSZACIVSA-N 402.451 1.012 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1 788695298 IKTVSNIIYFBSJA-UHFFFAOYSA-N 416.503 1.480 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 789322714 PDJJWAGJEPIPHL-OAHLLOKOSA-N 401.442 1.841 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(CC(=O)NC3CCCC3)c2)n1 790107692 KYAOCKQUSJRVRW-UHFFFAOYSA-N 412.494 1.060 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4cnccc4C#N)CC3)C2=O)C(C)(C)O1 793676368 ZMCSUTVQLBFDDF-OAQYLSRUSA-N 412.494 1.301 30 10 HDEE CO[C@H]1CCCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 794460835 WWPXZCZXKYSCPF-HNNXBMFYSA-N 412.468 1.973 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 794894291 HULQDPWBCDJQHG-OKYOBFRVSA-N 420.506 1.726 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 805147146 SLUVITDEZPHELA-KRWDZBQOSA-N 414.549 1.342 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NS(=O)(=O)c3cnn(CC4CC4)c3)C2)c(F)c1 805924560 JFLVECIIPDUCOK-OAHLLOKOSA-N 417.466 1.635 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 809896883 SZYRSONDTCJQGS-HUUCEWRRSA-N 422.530 1.591 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 812526905 UGYJGYCHRVMKCI-SFHVURJKSA-N 408.476 1.919 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)c1ccc(F)cc1 812527367 OENGEDDFGGMOFT-INIZCTEOSA-N 408.476 1.919 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c1=O)O[C@H](C)C2 837865331 ZNQMYMJJZKHIOR-DYVFJYSZSA-N 423.494 1.447 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)n1 856587065 LCSOHONTHVPPSL-GOSISDBHSA-N 408.455 1.542 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)c3ccccc32)c1 1137694073 GEEWTFWWMHCJRM-KRWDZBQOSA-N 403.481 1.742 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1137954936 YVILWAZQRZVOQD-OAHLLOKOSA-N 401.529 1.223 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1 1140915126 AXXKIUMEVWNBQJ-GOSISDBHSA-N 403.435 1.576 30 10 HDEE Cc1nc2cc(O)nn2c(C)c1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156246895 CKFANEMOLJGFKY-MRXNPFEDSA-N 405.462 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#Cc2ccccc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1158008769 ABSYKYXZSOZXIX-SJORKVTESA-N 404.488 1.283 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)Cn2cc(C#N)c(I)n2)c1 1166399591 OCJVYRQGHYZVIY-UHFFFAOYSA-N 415.212 1.646 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4nc[nH]n4)CC3)C2=O)cc1 1167466674 YBFDGHKEMXSBJS-MRXNPFEDSA-N 407.434 1.288 30 10 HDEE O=C(Cc1ccccc1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1169909177 ZTQYFSDCDYVFBX-UHFFFAOYSA-N 401.466 1.673 30 10 HDEE CCCN(C(=O)[C@H](C)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 1171791781 PCWFAFSSZXJWQN-KFKAGJAMSA-N 407.536 1.338 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)n1 1174690957 NPTSYEKQCZGAKQ-JOCHJYFZSA-N 408.458 1.301 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@](C)(Cn3cccn3)C(N)=O)c2C#N)C1 1176861409 XSKKCYDFJWJYQA-RNODOKPDSA-N 414.535 1.803 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C)cnc1N 1194801587 DNYKYVINLSPTFW-UHFFFAOYSA-N 408.524 1.996 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)OC)C3)CC1 1206609779 WHBJIMAJLDWXLY-CYBMUJFWSA-N 404.492 1.414 30 10 HDEE C=C(Br)CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1221566521 WAAYZXCKIFUQAT-UHFFFAOYSA-N 415.292 1.778 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(c3c(F)cccc3F)CCCC2)c(=O)nc1O 1226307820 GPGIAGCSPXXSCW-UHFFFAOYSA-N 417.416 1.910 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCCS1(=O)=O 1286378353 RIKJUXOVXVMNOJ-AWEZNQCLSA-N 421.548 1.306 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OC)CCCCC2)CC1 1286480693 ZFVXJALECUBNBO-KRWDZBQOSA-N 400.527 1.334 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1286963350 PNOCWPGPGJGQJY-CYBMUJFWSA-N 417.424 1.798 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1286965484 RGCMIKHKRHWCJN-AWEZNQCLSA-N 401.496 1.352 30 10 HDEE C#CCC1(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)CCOCC1 1288220909 ICNLMSDGLNILND-QWFUGVESSA-N 402.535 1.877 30 10 HDEE CC1(C)CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1289003415 GUXFLPNFDNMWFJ-XHSDSOJGSA-N 407.540 1.735 30 10 HDEE CC1=C(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1289132586 YLXXFVCVBACSAK-UHFFFAOYSA-N 405.466 1.847 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)n1 1289988117 GQQITVFSOFHWDY-ROUUACIJSA-N 412.494 1.821 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cc3csc(N4CCOCC4)n3)CC2)cc1 1290045227 DUJUJFGFLQKBOV-UHFFFAOYSA-N 411.531 1.738 30 10 HDEE CN(Cc1cnccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1298411098 VWKFJVSBIIDZLP-HTXNQAPBSA-N 419.449 1.226 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)/C(=C\c1cccs1)n1nnnc1-c1ccccc1 1298542945 HAPNPUCVLFDQHN-DLEKYWELSA-N 410.459 1.896 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cnc2c(N)ncnc21 1299556493 GWXSRJNLUNEJTC-AWEZNQCLSA-N 415.498 1.564 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cc(O)nc(S)n3)CC2=O)cc1Cl 1300197993 NVKUSRGCMWDCPU-JTQLQIEISA-N 403.851 1.665 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 1300392809 KOXWTTNUVAKNEI-WMZHIEFXSA-N 418.453 1.444 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1300408515 AEWKXZXCIKAEOK-RDJZCZTQSA-N 416.551 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCC(=O)N(C)C 1300522497 GJVXYDHARBVLAP-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1300633151 DGTGSPOUQXXVNQ-UHFFFAOYSA-N 400.508 1.359 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC2(O)CCC2)CC1 1300685866 TWCKHQVHSCYYKC-JOCHJYFZSA-N 417.554 1.379 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1301021742 ZJEHWWKTESMFHC-HCWAXHENSA-N 421.494 1.564 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301483213 KQDQHQCTTXFPJK-KDOFPFPSSA-N 415.494 1.472 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@H](C)C1 1301492883 QPBSAYSIVQPVBE-CYBMUJFWSA-N 401.492 1.918 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(C)(=O)=O)C1 1301546959 WMBGNFDGKCXRNO-CQSZACIVSA-N 411.915 1.819 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1303001117 NALUHGZLZWMUHC-OAHLLOKOSA-N 413.569 1.036 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC(S(=O)(=O)N2CCCCC2)CC1 1308097365 OOEAKJNKXXUELV-GOSISDBHSA-N 407.536 1.578 30 10 HDEE N#CCCN1CCN(C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 1310630484 HMDJPERCRYXUFY-UHFFFAOYSA-N 423.315 1.744 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315911658 NFPVSQOVRRJXJN-LZICOFPGSA-N 423.477 1.339 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CC(=O)NCC=C 1358953384 VVSBYBYJZVKIRG-UHFFFAOYSA-N 418.295 1.991 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358962022 IXLPMQXAUDNXJG-ROUUACIJSA-N 424.567 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1358968652 UFPVHVYXPFGJNI-UHFFFAOYSA-N 420.521 1.148 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(N2CCOCC2)n1 1358977017 AHPLDUMJRZSWDV-HXUWFJFHSA-N 420.517 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccc(F)cc1 1358992522 NXXMUROCIXWKKT-AVRDEDQJSA-N 409.465 1.739 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCO 1358994460 NWENLNBPJHWNSA-FQEVSTJZSA-N 410.474 1.653 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2cccc(F)c2)CC1 1359035355 RLHQDGASIUDGEE-LJQANCHMSA-N 410.497 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCNC(=O)C(C)C)CC1 1359046899 KDHMJSKIHUJBGP-UHFFFAOYSA-N 414.554 1.359 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1359097387 OIEZRLJBURJWMP-BXWFABGCSA-N 416.526 1.302 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1359272355 QEJNZGKGJFFAEQ-QGZVFWFLSA-N 421.523 1.739 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cnc2ccccc21 1360206741 GNWHDDZZVALMEO-FQEVSTJZSA-N 410.457 1.908 30 10 HDEE C#CCN(CC(=O)Nc1ccc(CC(=O)N[C@H](CC)CO)cc1)C(=O)OC(C)(C)C 1445889968 JYOQORFCSCQBJD-QGZVFWFLSA-N 417.506 1.925 30 10 HDEE C=CCNc1ncc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)s1 1453531976 DVWDVKBODUEBDY-SFHVURJKSA-N 412.512 1.469 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cnn(CC2CCC2)c1 1457000127 FDJSLMCYYKSHQU-CQSZACIVSA-N 401.492 1.711 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 1466156168 BYOZVRALSUJREM-IBGZPJMESA-N 402.495 1.391 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1472486327 MHXRXTYROSLIPC-CALCHBBNSA-N 420.535 1.287 30 10 HDEE COc1ccc(Br)cc1Cc1nnnn1CC(=O)NC1(C#N)CCC1 1472996395 YIVLIEFKZKEZPA-UHFFFAOYSA-N 405.256 1.597 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1(C)C 1473791959 KJUSVTQDHPLPOO-HNNXBMFYSA-N 408.524 1.962 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1501442455 JZIBLWCFAVTOPO-WMZOPIPTSA-N 404.515 1.610 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1502482291 HIFBAQFOCUCFPR-KRWDZBQOSA-N 416.507 1.582 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1503762184 AERMHRYJOKEBDI-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccs2)CCO1 1505321047 DZXHVZFUQWVXIF-AWEZNQCLSA-N 409.475 1.958 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1507511945 AYXROVPWHQJHFV-GFCCVEGCSA-N 405.396 1.889 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1507513781 BFBFXRHNQNWDSJ-ZNMIVQPWSA-N 424.596 1.711 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1507534396 STWKEEUNZORJHO-UONOGXRCSA-N 419.507 1.431 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1507690733 WEWIUGJXVWTCMU-SJORKVTESA-N 400.504 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H]1CCC(=O)N1 1507706558 NIKYLQKDEINFDP-OAHLLOKOSA-N 419.432 1.911 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1507748919 UDEBZBXPPTWDRO-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1507994024 RBOXXMOYZJDXAK-KRWDZBQOSA-N 401.559 1.410 30 10 HDEE CC(=O)N1CCC(Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1508200258 AEZRMRZMSGGKQQ-IBGZPJMESA-N 409.494 1.251 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)Cc1cccc(F)c1 1509018716 CGEMKAONBPIOAU-KRWDZBQOSA-N 400.458 1.628 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1=O 1515879923 ICQXTDYQOKMHCY-RBUKOAKNSA-N 424.505 1.415 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c(OC)c1 1517878397 MCKBLQJTNHHSMR-UHFFFAOYSA-N 401.463 1.699 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1)OC 1518719432 CQMIVUJOLORVGI-IRXDYDNUSA-N 412.450 1.119 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1539065619 IWKAAFQRHWYKSI-SFHVURJKSA-N 402.543 1.581 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1539126203 UIAUAKQBKAJLMW-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCC1(O)CCOCC1 1539278457 CYDQGQFVMNFRSY-UHFFFAOYSA-N 424.501 1.870 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1539324000 NXUVIDMUJJPSCS-HNNXBMFYSA-N 401.467 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)c1ccco1 1539337913 OEDIIHDAYQRKDA-LQBOVUBWSA-N 412.490 1.966 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCCN(C)S(=O)(=O)CC 1539556676 GHZRUQWVGYVIGC-FXAWDEMLSA-N 423.583 1.836 30 10 HDEE C#CCN1CCC(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CC1 1540123514 CZGIRLSFRLVDTQ-SJORKVTESA-N 415.456 1.406 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](OCCOC)C1 1540866582 SBTUSMQNTYBTLN-OAHLLOKOSA-N 420.901 1.537 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCCC2)C1 1540871589 PCDXOAXTRQELDS-INIZCTEOSA-N 421.567 1.643 30 10 HDEE CC(C)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1541335920 FWZDREVHLWHHNA-HYLQGWQCSA-N 413.526 1.601 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(S(N)(=O)=O)cc32)c1 1543363610 IOURBQRKWSDGFP-UHFFFAOYSA-N 418.496 1.334 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2CN2CCOCC2)s1 1545035155 LXNXUDKPEWYKBO-HNNXBMFYSA-N 413.565 1.078 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H](OC)c1ccc(F)cc1)c1cc[nH]n1 1546150650 UNFKEBKKNDTTES-KPZWWZAWSA-N 406.414 1.725 30 10 HDEE CN(C)c1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1552814840 RNSRTNHWPMZJPM-IBGZPJMESA-N 423.521 1.552 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1552884559 CPJMZIXYIMCCAE-UHFFFAOYSA-N 418.523 1.323 30 10 HDEE COCCCS(=O)(=O)NCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1557128879 UTMKRXZDMUBDEX-ZDUSSCGKSA-N 421.441 1.902 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)OC)c2OC)c1 1557336613 HEDNLHNVIGRHLR-UHFFFAOYSA-N 402.428 1.646 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCCC2)C1 1557447875 UKBZYODXDKBVDM-KRWDZBQOSA-N 404.536 1.591 30 10 HDEE CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1558865236 AJUOQJSZEQUVJE-AWEZNQCLSA-N 405.455 1.069 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC1=CCCOC1 1559981673 WURROIPGBFGGPE-UHFFFAOYSA-N 411.462 1.733 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1560003821 HECGLCVSZGBRPW-QGZVFWFLSA-N 423.521 1.966 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1CCS(=O)(=O)c1ccc(C#N)cn1 1560223170 SJJCKZLBHJMKMN-QGZVFWFLSA-N 401.444 1.032 30 10 HDEE CC(C)(O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1561288883 CBBXAYUOSUQJLQ-UHFFFAOYSA-N 402.314 1.398 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@@H](C)C(=O)Nc1ncccc1O 1561839943 BWNCWUIISOXTBQ-NXEZZACHSA-N 410.402 1.879 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1 1564531671 WRCAOYXREIZZAB-ZHRONYKTSA-N 400.426 1.859 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCc4cc(F)c(F)c(F)c43)C2)c(=O)nc1O 1564761341 VDWBDAZIEKZACV-LBPRGKRZSA-N 405.336 1.492 30 10 HDEE C=CCn1cc(CNC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)nn1 1564958477 WRDRYVKBNMUJLV-KRWDZBQOSA-N 405.480 1.151 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)n1 1565129366 TTZKQPCOUQVQAY-INIZCTEOSA-N 407.515 1.930 30 10 HDEE CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)cc1 1569560151 FZMANJZQTNMMMD-OAHLLOKOSA-N 406.485 1.961 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)c1ccccc1Br 1570316777 AZELDAZBZGJEGI-HYEKCJMVSA-N 408.252 1.515 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)[C@@H](O)c3ccc(C#N)cc3)O2)C1 1584914977 CHRXVPDRDUILTQ-SJORKVTESA-N 401.463 1.876 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 1586849963 SHWFQBGSBJYLKS-LBPRGKRZSA-N 401.510 1.318 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1587661557 FCWGDXIRQNUEPG-ROUUACIJSA-N 420.517 1.912 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1587990157 SZUKZNFOLGYJTC-OAHLLOKOSA-N 404.492 1.315 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)COCCO2)CC1 1594192793 MCAHXLFUBJEPRN-KBXCAEBGSA-N 413.544 1.096 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1594807657 VMORMIWHVCJFHX-GOSISDBHSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CO)CC1 1595556571 XZDSGOBCVOFYRE-UHFFFAOYSA-N 405.449 1.658 30 10 HDEE CC[C@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1Cc1ccc(C#N)o1 1613342748 PVFXNOHAFMPECJ-XJKSGUPXSA-N 411.466 1.777 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ncc3c(n2)CCOC3)cc1 1616625064 HMJVZCGYKKDYHK-UHFFFAOYSA-N 400.460 1.557 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1617409863 CNZSYWSWYMJGFE-GDLZYMKVSA-N 416.551 1.936 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1)C(=O)OC 1617949866 JOCMZSOCPQRZDA-WSTZPKSXSA-N 416.474 1.608 30 10 HDEE C#CCNC(=O)CCN1CCc2nc[nH]c2C12CCN(C(=O)OC(C)(C)C)CC2 1619361823 ASAJVZHTDGZSGH-UHFFFAOYSA-N 401.511 1.634 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1)C(=O)OCC 1622450794 ZVYYXOOGAKUDDP-AWEZNQCLSA-N 418.899 1.750 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)c2S1(=O)=O 1623138921 PKZDBVVYFGYZNP-ZDUSSCGKSA-N 424.280 1.274 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)OC(C)(C)C 1623724113 GEYSABPPSZOAPK-LSDHHAIUSA-N 401.529 1.081 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1624243206 IXURLZSIFZXXLJ-HNNXBMFYSA-N 403.483 1.711 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1625387693 OMYQYYICFBCPAT-ROUUACIJSA-N 422.547 1.018 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1626658048 MUUQXQFCHKLDHM-KRWDZBQOSA-N 408.543 1.831 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(O)CCN(C(C)C)CC2)s1 1630478155 OMUNXZNSFSMMRV-UHFFFAOYSA-N 415.581 1.106 30 10 HDEE C=CCN(C(=O)c1cccc(-n2[nH]nnc2=N)c1)[C@H](Cc1ccccc1)C(=O)OCC 1634104516 YBIMLRLOXFYPMD-LJQANCHMSA-N 420.473 1.877 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1636105711 KSSPGFRIBJSKJS-KRWDZBQOSA-N 423.535 1.860 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)C2)nc1 1638905669 AFPOPOOBODSNLO-QGZVFWFLSA-N 404.430 1.873 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 1640591071 QYEOMKKQZPXOOW-MNEFBYGVSA-N 413.499 1.914 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 1641040138 DZINFUBBCDYUOM-KRWDZBQOSA-N 401.532 1.925 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1641040992 PKMDWMSHSFJENV-UHFFFAOYSA-N 418.515 1.277 30 10 HDEE N#Cc1nn(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] 1641302662 XZKOPOZXKZCFIZ-ZDUSSCGKSA-N 408.296 1.969 30 10 HDEE C#CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C1CCN(C)CC1 1646422094 VACQTUQJQCSOLG-IBGZPJMESA-N 414.506 1.103 30 10 HDEE COC(=O)[C@@]1(N2CCN(Cc3ccc(C#N)cc3Br)CC2)CCOC1 1647810590 WUYYAEPRTNXQNK-GOSISDBHSA-N 408.296 1.770 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1651801918 NHGYPXGLARQPQE-UONOGXRCSA-N 415.968 1.768 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1651889642 ASCUYBPAGWKFAB-AWEZNQCLSA-N 420.514 1.572 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccccc2cc1C(=O)OC 1653726319 UYIDVEKJOGBQBV-INIZCTEOSA-N 423.512 1.990 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F)c1 1661489445 FFDLBDXWNYFCKA-CQSZACIVSA-N 420.409 1.752 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H]3C[C@H](C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1675443871 GLZMRHNQEFQCOO-BOSXTWCSSA-N 417.487 1.088 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1cccc(C(=O)N3CCOCC3)c1)C2 1681696270 JBERDEKBFGUIGV-OAQYLSRUSA-N 404.470 1.997 30 10 HDEE C#CC1CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CC1 1682096194 SXVKOJIATXJUFL-IBGZPJMESA-N 401.482 1.898 30 10 HDEE C=CCC1(C(=O)N2C[C@@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)[C@@H]3C2)CCOCC1 1682265051 QZYLLKNTIBZXJA-LBVZWDRHSA-N 400.519 1.842 30 10 HDEE C[C@@]1(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCOC1=O 1685710380 BEVSIRZLXQOXFQ-LJQANCHMSA-N 400.414 1.403 30 10 HDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCCC1)c1ccc(Br)cc1 1686921223 GGWRJRINDUUSTR-HNNXBMFYSA-N 414.325 1.848 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1689901248 GNUNNBJIFRGQAB-QZTJIDSGSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@H]1C 1689966138 LJZLSVYRYWDETB-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1690287920 AEIYAIFMQHMPKC-INIZCTEOSA-N 405.528 1.264 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOCC(F)F)CC1 1690397134 WMULPXFBERWNQN-LBPRGKRZSA-N 407.487 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)OC)C1 1690691600 HKNPEGBKFNSGAC-MAUKXSAKSA-N 410.482 1.737 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1691001012 AWXATPIBFUJMEB-AEFFLSMTSA-N 416.574 1.099 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1692667407 DUGWGJXFEPVEIM-MRXNPFEDSA-N 423.477 1.326 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1695871553 HGRXKFDDIOZJQH-GUDVDZBRSA-N 417.558 1.274 30 10 HDEE CCOCc1nnc(N2C[C@H](C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696268383 CGSWZWDFKCHLQU-DNZUHHBVSA-N 418.498 1.345 30 10 HDEE C#CCC1(C(=O)N2CC[C@@H](N(CC)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1704617345 AZHXPVURMOTAJL-NADOGSGZSA-N 400.519 1.679 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1705569799 KCHRWLUVZBHRGM-INIZCTEOSA-N 419.576 1.979 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1705657043 QRDQLSMRVVXTJU-UHFFFAOYSA-N 418.548 1.169 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)COC)CC1 1705699845 MFMBEOKIIVEVCU-IEBWSBKVSA-N 403.527 1.822 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1705741513 RMSJXAOYYNZPCY-QGZVFWFLSA-N 404.515 1.716 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705829007 FFCVCINSTJGFJH-UHFFFAOYSA-N 410.526 1.988 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705943240 RZZQFPASMLCMOB-QGZVFWFLSA-N 414.539 1.909 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705943588 FOWRVJOHLBECPU-MRXNPFEDSA-N 402.524 1.519 30 10 HDEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709380129 GWAIEFCVDAMFAA-WLMCBFPDSA-N 423.525 1.759 30 10 HDEE CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1711003888 GRGCHLGVAXIHQF-RTBURBONSA-N 421.546 1.280 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722334296 DSZRVVQWYMEORJ-LJQANCHMSA-N 408.506 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCCS1 1722390096 OISARTDSPRBJFI-CRAIPNDOSA-N 409.581 1.637 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC=C 1722400814 AAXWIKIBNXFHHK-UHFFFAOYSA-N 414.535 1.203 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1722410652 KZCHXNFGCQVEKN-LJQANCHMSA-N 403.490 1.982 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CCCCC2)CC1 1722438180 ZJQKHUBMIGNQON-XMSQKQJNSA-N 414.554 1.316 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722481849 BUFSMJUYJITXPX-LBPRGKRZSA-N 419.345 1.704 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@H]1CC 1722492336 BAWRQZSEKOKBCK-ZACQAIPSSA-N 416.526 1.210 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1722719095 XFHQITDWMOSLDC-UGKGYDQZSA-N 408.506 1.665 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1730878865 XDSNCGOJOZTPJI-HOCLYGCPSA-N 415.450 1.508 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C)n1 1730955868 NELIRAQARUSAKQ-UHOSZYNNSA-N 412.494 1.677 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCOC2)c1 1731180298 GXRYGFVMMJZDDS-UYAOXDASSA-N 422.489 1.989 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCO[C@H]2CCOC2)C1 1731181084 FOEYVPCEQFKKJP-FXAWDEMLSA-N 400.458 1.901 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1740564878 AOCDSCPEZCZMQG-UHFFFAOYSA-N 410.526 1.378 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740589127 PNEBNTQRJADVHL-WMZOPIPTSA-N 401.511 1.665 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740637793 HYWVQTBAXMQAOV-HOTGVXAUSA-N 411.428 1.118 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccco2)CC1 1740698405 VAXWPYGCASOHCJ-JOCHJYFZSA-N 406.490 1.520 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1740939794 HXRLJEHXBMEERP-HXUWFJFHSA-N 420.535 1.442 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)C1 1741987429 CEYVIYULNCDLAG-OXJNMPFZSA-N 402.499 1.336 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](C#N)C1 1747425194 CRXBWKYCWHEEJI-HNNXBMFYSA-N 422.511 1.247 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCCN(C)C)c1 1748638239 LMASGALHUJUDFM-QGZVFWFLSA-N 412.538 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748661844 MHUXBQWHDYLFNJ-ZBFHGGJFSA-N 407.453 1.676 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC(=O)NCC(F)(F)F 1748887153 VTUQZBYGQMREMO-UHFFFAOYSA-N 404.396 1.790 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ncccc2N(C)C)n1 1748970927 XPUQDXDZZYIKHL-UHFFFAOYSA-N 408.510 1.579 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2cccs2)N(C)C)CC1 1748987356 UZFDJOGTNASWMG-GOSISDBHSA-N 422.562 1.855 30 10 HDEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1749273344 IFOKXLQXVJHOSO-KSSFIOAISA-N 412.560 1.691 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749450777 SWRSAUORBULPTO-MRXNPFEDSA-N 404.515 1.164 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749671028 XZQWEMHPMNFRLB-ZWKOTPCHSA-N 402.543 1.396 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1760119783 DDVWQDMPCKEULJ-MRXNPFEDSA-N 400.527 1.650 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1760136201 RLIBGFZLVNIVES-INIZCTEOSA-N 404.540 1.605 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760186157 AZSSANPTXOXOMG-RCCFBDPRSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(OC)CCOC1 1760196015 NEWRTZFYRLRARI-GOSISDBHSA-N 418.295 1.914 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1760224737 XOWIVCPMFGRVBU-UHFFFAOYSA-N 424.505 1.412 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)CC1 1760385463 UYRLJBTWQBGHPB-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760455702 WXGGJSZRUAXJBM-LJQANCHMSA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760527024 LKHVMEARVAJUIO-HNNXBMFYSA-N 402.524 1.876 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCSC2)C1 1760533043 AOXOXASVQTUANK-KXBFYZLASA-N 407.540 1.163 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N(C)C 1763244317 KOHXNQYLOJZUIL-QFBILLFUSA-N 407.522 1.968 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1765482878 PJIRORJCAFYJTK-YESZJQIVSA-N 404.515 1.453 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1766689833 GWRSVCGTRPICFX-UTKZUKDTSA-N 417.558 1.718 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1)[C@@H]1CCOC1 1768576806 FGGVQSBDPLRRBT-QGZVFWFLSA-N 408.466 1.636 30 10 HDEE COCCN(CCC#N)c1nnc(CC(C)(C)C)n1Cc1cn(C2COC2)nn1 1771112466 PKJCKIKUTUBBRQ-UHFFFAOYSA-N 402.503 1.444 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1771536125 JWAGAEBMPQUXPW-BBWFWOEESA-N 414.422 1.122 30 10 HDEE C=CCN(C(=O)CCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)[C@@H]1CCN(C)C1=O 1849691104 IZJDGDYQBIRNFI-SJLPKXTDSA-N 422.551 1.037 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N(Cc1ccccc1)c1cccc(F)c1C#N 1851514746 UPFJAPGZJCMRHL-LJQANCHMSA-N 415.446 1.834 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCN(c3nc4c(F)cccc4s3)CC2)C1=O 1853956732 DMGBECSVUFJCQZ-AWEZNQCLSA-N 401.467 1.989 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CC(c4nc(C5CC5)no4)C3)CC2=O)cc1 1854269125 UCCLMXDEBHMTNR-MRXNPFEDSA-N 405.458 1.836 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCS4)C(=O)C3)C2)c(F)c1 1854355458 YRNMEUHCXTVTQU-IEBWSBKVSA-N 416.522 1.838 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1 1854941717 SLRDALNXITWUKT-QZTJIDSGSA-N 414.506 1.511 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1=O 1855553078 SPXMAUCMQRINPE-ZDUSSCGKSA-N 411.430 1.654 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2=O)CC1 1856320212 LJMZRESQNLSIRZ-SFHVURJKSA-N 424.892 1.955 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)Cn3cnc4ccccc43)C(=O)C2)C1 1856856559 DKKOTVFPORKEQG-RTBURBONSA-N 409.534 1.994 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@H]1CCN(C)C1=O 1857050081 CWIZKXPEYLYZJA-WBVHZDCISA-N 418.925 1.761 30 10 HDEE CSc1ccccc1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857149452 KOSOICVITIABCM-QGZVFWFLSA-N 422.514 1.632 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)c1 1857231744 GLNVHMKVJIWAQN-SJLPKXTDSA-N 412.490 1.721 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)CCC1=O 1857465221 MCINHOZGAMQIIU-CYBMUJFWSA-N 423.395 1.428 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)C[C@H](N)C(=O)O)sc2c1 1865999543 QMEHCLYJOMCMEB-LBPRGKRZSA-N 424.504 1.400 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1ccccn1 1874430923 DVZSSDZETFRJKU-SSDVNMTOSA-N 409.475 1.922 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccnc1 1874470475 HPFFZAIONGRRSR-VXLYETTFSA-N 403.493 1.932 30 10 HDEE Cn1ncc(Br)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914901058 JCPOCXHERAGZSZ-AWEZNQCLSA-N 424.324 1.581 30 10 HDEE C[C@@H](C#N)S(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1957294678 TYRULMBQZCGYNE-HNNXBMFYSA-N 409.508 1.712 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985104911 MQXGSPSKSITSJZ-ZDUSSCGKSA-N 404.276 1.724 30 10 HDEE CN(C(=O)[C@@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010396826 JOIXTIRSENAHDJ-MRXNPFEDSA-N 420.315 1.834 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@H](C#N)CC1 2046027788 ZRPJKJCXBGTRDQ-KUHUBIRLSA-N 407.467 1.966 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2054405131 YRDGFKJPXXIZNG-ZWKOTPCHSA-N 409.508 1.739 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)OCc1ccccc1 2106651856 UINQOYPNTOJCSH-AYBZRNKSSA-N 412.471 1.828 30 10 HDEE C[C@H](NS(=O)(=O)N1CCOCC1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177632676 WTPAAZPMZCRFHV-LBPRGKRZSA-N 402.347 1.275 30 10 HDEE C=CCn1ncc(NCCn2cc(Br)nn2)c(Br)c1=O 2192987245 VQENPOXJGKQKNP-UHFFFAOYSA-N 404.066 1.658 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243370845 SYPOKYPXGRGNAD-LSDHHAIUSA-N 403.288 1.776 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390655 YXSVDNJQBOHYHI-UHFFFAOYSA-N 406.292 1.373 30 10 HDEE CCN(CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243419126 RVFWMRQZGSHDCZ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE C[C@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247838366 GZMZLYJYNOQQGP-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2cncc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247927516 KQPSGFNBAMFQPB-UHFFFAOYSA-N 413.205 1.131 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCc3cnn(Cc4ccccc4)c3)nc2)OC1(C)C 2255646134 MHOKNDRXMCNNAX-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258176735 XPULIPNIGLAZDM-SJORKVTESA-N 408.476 1.477 30 10 HDEE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282030925 MBPAEDCDJYKEII-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](O)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282320822 NRXSBNQYEXAICM-JTQLQIEISA-N 411.301 1.650 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCOC1 2282328672 AWJUHNXPWCQLLC-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282328919 FJGFMVXQKNIREA-ZDUSSCGKSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(CCO)CC2)OC1(C)C 2282342649 KERXEFNDSAPZEH-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE C[C@H]1CNCCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492712 QDGJFRPAEOHPPW-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H](O)C(F)F)OC1(C)C 2282504653 RXJGUIDLTDUHSS-NSHDSACASA-N 411.301 1.483 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)NCC1CC2(C1)OCCO2 2282528856 XYNOAGQORYSFOE-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3(CN)CCOCC3)sc2Cl)OC1(C)C 2282618012 NPLNFMPPTUAOSX-UHFFFAOYSA-N 400.737 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCOCC(F)(F)F)c2)OC1(C)C 2282849107 WTBUVRVYMGZOEJ-UHFFFAOYSA-N 415.264 1.905 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(F)CCCNC3)s2)OC1(C)C 2282849968 JINZEFOBCKMUEY-MRXNPFEDSA-N 404.338 1.417 30 10 HDEE COC[C@H]1C[C@@H]1NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282872346 VGHCZWACALOWOO-OLZOCXBDSA-N 401.359 1.977 30 10 HDEE CN([C@@H]1CCCC[C@@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876470 DMMQXSZETIEHJN-KGLIPLIRSA-N 401.359 1.971 30 10 HDEE CCc1nc(C(=O)N[C@H](CSC)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284377081 UEMBMCMIXUULLT-SECBINFHSA-N 400.331 1.551 30 10 HDEE C=CC[C@H](O)[C@@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314236690 YCRSVLKSBNSPFY-ROUUACIJSA-N 406.504 1.794 30 10 HDEE C[C@H]1[C@@H](C)C(=NO)CCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2321213742 GOFPYYSNUVJYKJ-KGLIPLIRSA-N 407.492 1.953 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2365204917 PSYCEEFLDLIHBF-KXBFYZLASA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC2(CN(C(=O)OC(C)(C)C)C2)C1 2365208460 CLZNHALMTNHPNI-AWEZNQCLSA-N 400.541 1.163 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2380185453 XVPUKVRHSKTICZ-CYBMUJFWSA-N 403.501 1.556 30 10 HDEE CCC(C)(C)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 7245160 FOVLJWWYCRRQGI-UHFFFAOYSA-N 421.519 1.807 30 10 HDEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1ccc(CN2CCOCC2)cc1 9887034 RUYLHIRLIRKLEU-UHFFFAOYSA-N 408.502 1.945 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)Nc2nc(C)cs2)n1N)c1ccncc1 21324558 AMZBQKGHOUQVBI-KEBDBYFISA-N 403.497 1.719 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccc3cc(OC)ccc3c2)CC1 22812868 TXUYECJTBZNESF-UHFFFAOYSA-N 424.545 1.727 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCN(C)C)C2=O)cc1 96567163 VHKMZMBFGCZCMB-OAQYLSRUSA-N 402.495 1.476 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)c1 109411691 JLGFYOQMMHKEMK-HXUWFJFHSA-N 403.482 1.838 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)CC2=O)cc1 219944862 ORISFEQZCQPRNE-WMLDXEAASA-N 407.430 1.390 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 238879295 OVSQYPDQIKBLHL-OAHLLOKOSA-N 402.432 1.974 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)Cc2cccc(Cl)c2)CC1 301461819 JFVNPMPZKFXOJV-UHFFFAOYSA-N 418.906 1.750 30 10 HDEE C[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1ccccc1)n1cnc(C#N)n1 409721084 PMWJAHWOXALMMF-QFBILLFUSA-N 402.458 1.755 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 429732302 WGQUNUZHSMPCTR-UHFFFAOYSA-N 406.490 1.524 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(OC)c(O)c(OC)c2)c1 443199861 PVBMGGCPDMKIFA-UHFFFAOYSA-N 406.460 1.804 30 10 HDEE CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443327559 CVBNWDYBEAFKOF-AWEZNQCLSA-N 402.314 1.398 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1C[C@H]1CCCO1 471185586 CKRPNSFGPKLVPK-MRXNPFEDSA-N 415.515 1.273 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCCc3nc(C(C)C)no3)CC2)c1C#N 472092049 FWXDTRJSHLPZFK-UHFFFAOYSA-N 400.487 1.571 30 10 HDEE CS(=O)(=O)CC1(CC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 473725491 QHIJZRFIQQHFFW-HNNXBMFYSA-N 407.517 1.613 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 476908096 JICGNLFNWWDUGE-UHFFFAOYSA-N 412.515 1.984 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 478184266 YANALGFEMNQIKP-MRXNPFEDSA-N 422.526 1.546 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)C1=O 479240657 HJVVOPFPASLSER-NRFANRHFSA-N 409.490 1.381 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 485414788 CRAHTDKLFQZIFI-UHFFFAOYSA-N 422.854 1.704 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1C#N 489877055 WKKDZPDGFALCFV-JKSUJKDBSA-N 412.471 1.459 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4ncc([N+](=O)[O-])cc4C#N)CC3)C2=O)n(C)n1 507914915 YYCNOICAMVWKKR-QGZVFWFLSA-N 424.465 1.221 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508497847 NSPHIFVPHRVTIC-CQSZACIVSA-N 416.569 1.160 30 10 HDEE COc1ccc(NC(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 530909826 IIVRNIAEYWTXEO-UHFFFAOYSA-N 415.471 1.769 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]4COCC[C@@H]43)CC2)cc1 531797099 AXOKLRMFBQOPFU-ICSRJNTNSA-N 417.531 1.986 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 537250406 FYZOAXALKYTTSG-HKUYNNGSSA-N 402.470 1.420 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](CN2CCCc3ccccc32)C(=O)O)ccc1F 547888972 NMNHGZJCCFHFIF-QGZVFWFLSA-N 403.435 1.882 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549240735 JDJUTMLBEBZQEL-UHFFFAOYSA-N 422.507 1.615 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nnc(C4CCOCC4)s3)CC2)cc1 549468075 YRSOJLINZXTGIQ-UHFFFAOYSA-N 419.532 1.815 30 10 HDEE CCCCNc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc(N)n1 552859724 GAQGSNMVQKDFAD-UHFFFAOYSA-N 415.523 1.653 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 558331540 MKSXZWVULRHSIF-OAHLLOKOSA-N 409.512 1.738 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 570701326 KDWMABQVHCASTA-NRFANRHFSA-N 422.493 1.987 30 10 HDEE CCOCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(C#N)n2)CC1 580780425 FKUAJYXHHKQCFP-UHFFFAOYSA-N 421.509 1.698 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(S(C)(=O)=O)c2ccccc2C1 581398499 RKLGJLBJFQNJPE-KRWDZBQOSA-N 419.507 1.338 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CC1 583220615 JCXCTBSGJLELOH-UHFFFAOYSA-N 404.555 1.394 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)n1 583513076 NOBCUUYHLMJNHY-GOSISDBHSA-N 421.457 1.204 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NCC(C)C)cc21 586311934 CLTLQAGLQRZTAI-SUMNFNSASA-N 406.504 1.690 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)no1 588290296 AGBBFVAUBZXPOW-ABAIWWIYSA-N 405.436 1.669 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140229 VGOKJVHRTJVOHU-INIZCTEOSA-N 403.508 1.204 30 10 HDEE N#C[C@H]1CN(C(=O)COc2ccc(I)cc2)CCN1C1CC1 732647884 MCYTWOGRGRCRDD-AWEZNQCLSA-N 411.243 1.869 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732697188 VRKLAEACDZIBEB-KRWDZBQOSA-N 405.524 1.921 30 10 HDEE N#Cc1cnn(CCOC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)c1N 733698646 WSXHORUACFJLJY-SFHVURJKSA-N 404.430 1.316 30 10 HDEE C#CCN(C(=O)c1cnc(O)n(C)c1=O)[C@@H]1CCOc2ccc(Br)cc21 751582456 RERWWTOKNSLRDU-CQSZACIVSA-N 418.247 1.848 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2n[nH]c(-c3ccccc3)n2)C1 753256740 YPVFCAVXRJCGAM-MRXNPFEDSA-N 403.508 1.962 30 10 HDEE CCc1c(C(=O)NCc2ccc(OCC#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 753999381 KKXRRPRRKALNHE-UHFFFAOYSA-N 407.430 1.027 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 757869298 FJVKFKNBUOFISI-CQSZACIVSA-N 411.480 1.131 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 758758495 IJWRQKALSDOKFN-OKZBNKHCSA-N 421.542 1.642 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 767538656 KROOHSPWEKGYJW-GOSISDBHSA-N 402.407 1.499 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCOC2(CCSCC2)C1 771297711 KEAURZZCTIOOMH-AWEZNQCLSA-N 423.560 1.676 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(CC#N)ccn2)C1=O 771432818 ZXRGLZQVWBDUGA-OAQYLSRUSA-N 407.430 1.870 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCN(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 774167495 UNLOBSRPZLQVNE-IBGZPJMESA-N 421.563 1.739 30 10 HDEE C#CCN(C(=O)NCc1ccc(CN2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774177392 HGOXPGLWUNOKEM-GOSISDBHSA-N 403.504 1.141 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c1 810164287 CIVSVFMFDVUQJF-VAYDFKCMSA-N 416.507 1.902 30 10 HDEE COc1cccc(C(=O)COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 811137057 PGYDTVBENJMMJX-LBPRGKRZSA-N 417.443 1.333 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 812182107 CBHSLUSWFDPBMQ-MRXNPFEDSA-N 412.494 1.948 30 10 HDEE Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1 820173470 AVMBOBHSFUHWFY-QGZVFWFLSA-N 403.460 1.540 30 10 HDEE CCCCCNC(=O)[C@@H](C#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916876598 CEOPVTMOEXNJQV-CVEARBPZSA-N 424.523 1.707 30 10 HDEE CCC(=O)OCCCCSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084588482 YIXUCQOPNXEJTP-UHFFFAOYSA-N 409.516 1.882 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2)C1 1116951250 AZDVZJNNFFGXPB-AEFFLSMTSA-N 419.551 1.912 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1132976524 FLYXGFKTLFXFAR-QFIPXVFZSA-N 418.513 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCSC[C@H]2S(C)(=O)=O)CC1 1136898776 XUEZGYPVOQOEJB-MRXNPFEDSA-N 416.565 1.583 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC)[C@H](O)c2ccccc2F)c1 1137410629 FREWUFCAOOIGSQ-RTBURBONSA-N 404.463 1.979 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccncc3)C2)cc1S(=O)(=O)NCC#N 1140977055 LUGXNIDQJHTVEM-MSOLQXFVSA-N 414.487 1.842 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)c1 1149862902 CUSXDCZBEHMHNM-OAHLLOKOSA-N 414.430 1.259 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)NCc1ccc(C#N)cc1 1176861428 YAOOEVCPWQRBRD-GOSISDBHSA-N 402.495 1.742 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 1177338863 OAOZSIGZRXFVAJ-DFGXFYAUSA-N 417.531 1.847 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CS(=O)(=O)C2CCCC2)c(=O)c1C#N 1183324303 DOZZBHSTMRTRRR-UHFFFAOYSA-N 416.297 1.527 30 10 HDEE C#CCC1(NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CCOCC1 1198922730 FKTZVXDPSPVTRK-UHFFFAOYSA-N 420.535 1.317 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)CC1 1213514212 AYPXHHUZMVVPLL-UHFFFAOYSA-N 414.549 1.522 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1 1213870639 GZUILHQNKLLNOE-USXIJHARSA-N 422.507 1.236 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1225936890 GPLXGUWPTWPJBJ-QMHWVQJVSA-N 421.498 1.664 30 10 HDEE COc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1C#N 1254695100 PWZWTTNPSCTPOT-BHIYHBOVSA-N 414.506 1.908 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOC(C)C)c1 1286308788 DDZIJYHEVQLYQL-SFHVURJKSA-N 424.505 1.710 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1286346186 WRISADIFTWPUSL-KRWDZBQOSA-N 405.510 1.865 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(COC)CCOCC1 1286362742 FGGSMSIJOOCYFP-OAQYLSRUSA-N 406.527 1.831 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCn2cnnn2)CC1 1286475355 XPIXPVWCBMNQQC-UHFFFAOYSA-N 405.510 1.340 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286537622 HENPLRWFDDXQDT-TZMCWYRMSA-N 420.315 1.865 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CCNS(C)(=O)=O 1286562806 TUSHYVBTCQYUCE-GDBMZVCRSA-N 408.528 1.240 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286712244 UVSGLFSXRKCWIY-KURKYZTESA-N 423.583 1.446 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286712290 VPFPUAAQBVNPTD-OAHLLOKOSA-N 410.478 1.910 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1286727765 ZESQYYABAZXORP-HNNXBMFYSA-N 421.523 1.524 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CC1COC(C)(C)OC1 1286788398 VUIPYHLSNWCSTD-MRXNPFEDSA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286788530 YCEJLJALFMXGPE-KKSFZXQISA-N 419.526 1.249 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nnn(C)n2)C1 1286804520 LYIVPLRKDPKJQU-ZDUSSCGKSA-N 400.874 1.952 30 10 HDEE CC[C@@](C)(O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1291358188 GMOPKAHXGGVMMQ-HXUWFJFHSA-N 413.482 1.112 30 10 HDEE C#CCN(C(=O)c1cc(OC)cc(Br)c1N)[C@H]1CCS(=O)(=O)C1 1291930270 YVGWWYYPZYQTFD-JTQLQIEISA-N 401.282 1.302 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1292142282 PIDQLLDAWMRDGP-HUUCEWRRSA-N 421.498 1.237 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(C#N)cc2F)c1 1295035557 DJEUYYXQMLASGA-UHFFFAOYSA-N 406.439 1.916 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)Cn1nc(Br)c(Br)n1 1295186167 BNHOAPAMZMJEJO-UHFFFAOYSA-N 410.066 1.381 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN[C@@H](c4ccccc4)C3)C2=O)cc1 1299399453 SYWDANZBUAXLGT-WOJBJXKFSA-N 417.469 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1300322597 UNYMHSWWXGHGFK-IRXDYDNUSA-N 411.510 1.259 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300458233 FTCCHXXSIPNJCA-DLBZAZTESA-N 410.526 1.742 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1C[C@H](c1cccs1)N1CCOCC1 1300458493 IPUHVXLXNDDFSL-DLBZAZTESA-N 401.536 1.986 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1300495372 GKBJJKMMUCEVLN-QGZVFWFLSA-N 406.552 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)CC 1300545241 MJEBZFXKDXSXJU-UHFFFAOYSA-N 409.515 1.789 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1300665207 HQCPZXJOJITSJE-SLFFLAALSA-N 419.570 1.757 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300855825 IFLZQESQUYLICZ-FHWLQOOXSA-N 424.505 1.570 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1301037257 RPZOKTZFFRBELI-HZPDHXFCSA-N 410.950 1.919 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@@H]1C 1301569210 SUWSCQPPXQSMES-RDJZCZTQSA-N 411.572 1.709 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2nnc(C)s2)CC1 1301724532 GQFJIPCLXFASSU-UHFFFAOYSA-N 422.518 1.888 30 10 HDEE C#CCC1(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CCOCC1 1303776588 GZUMBRNQNVELKJ-QGZVFWFLSA-N 409.527 1.731 30 10 HDEE CCOC(OCC)[C@@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1306069550 QGEPIPZTWSHCIG-CZUORRHYSA-N 402.451 1.667 30 10 HDEE CC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1306446472 PUNYZGYLBDTXQG-IJYGLTAASA-N 400.483 1.372 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccc(O)cc3)CC2)c1 1307539189 DIZPPHRGEHBOIF-UHFFFAOYSA-N 406.442 1.480 30 10 HDEE CCN(CCCn1c(-c2ccccn2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1313797873 GGKCNHBZUDQBMN-HNNXBMFYSA-N 405.528 1.750 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1316253157 PPJIWGMETJEQSI-KRWDZBQOSA-N 412.494 1.394 30 10 HDEE CSC[C@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1316435589 XZCKBCBQIUTJEU-CHWSQXEVSA-N 424.552 1.733 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1316483576 BQJJHCKPNGZGCI-RHSMWYFYSA-N 403.508 1.723 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1358957255 RTCZTDNNZYYFDC-LMMKCTJWSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1358965911 DNXFCMGAVUEFSG-MRXNPFEDSA-N 418.523 1.182 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1359048346 NEBTUUFWOWGXCF-UHFFFAOYSA-N 412.510 1.268 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1nncn1C 1359048455 RARBGONRAOXXDX-OAHLLOKOSA-N 414.539 1.351 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1359135892 QZXJLYZOJVPQOT-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1359149164 PRSPNMUNHZMBAQ-UHFFFAOYSA-N 407.862 1.220 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCOc2ccccc2)CC1 1359289124 CVSGWXPYLMIQHW-UHFFFAOYSA-N 410.522 1.788 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359292809 YHLQZBBCJTWZTQ-CVEARBPZSA-N 406.531 1.071 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCSC2(CCOCC2)C1 1359332573 BCRWABXABJVVJT-UHFFFAOYSA-N 400.570 1.544 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1360247573 BVQRIAOGCDCXDB-GUXCAODWSA-N 402.499 1.350 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1438909581 UWAIQSJUHHBKOX-BTYIYWSLSA-N 417.462 1.476 30 10 HDEE CSc1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c(O)n1 1441629745 JCKKNFXDSZDIDM-STZFKDTASA-N 421.504 1.969 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)c1 1441633278 VCDNLUFUZOMJGU-TYIKUYDASA-N 402.480 1.676 30 10 HDEE Cc1sc(CNC(=O)OC(C)(C)C)nc1C(=O)N1CCN(C(=O)CC#N)CC1 1445690949 PIMGKIMVXXUTHM-UHFFFAOYSA-N 407.496 1.674 30 10 HDEE CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1448842410 JBNSARAPMVVEGN-DBWMJRBXSA-N 413.455 1.485 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](N3CCOCC3)C2)s1 1449807245 XWUPCBPEVFHDHF-OAHLLOKOSA-N 413.565 1.078 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1462375357 GIYYUWFDWNUMFL-INIZCTEOSA-N 409.533 1.567 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)n1 1463636510 XKYYFUDGBGWQNY-UHFFFAOYSA-N 420.516 1.267 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@H](C#N)C2CCCCC2)C1 1465505284 RIAFISYDJCDEIH-JKSUJKDBSA-N 413.540 1.999 30 10 HDEE Cn1nnc2c1CC[C@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1469520667 HCHZRYYLJMMPFH-CELYABABSA-N 414.510 1.575 30 10 HDEE C=C(C)CONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1469742845 NEBFUBLFERESPZ-UHFFFAOYSA-N 409.508 1.232 30 10 HDEE N#C[C@]12CN(CC(=O)NCC3(c4ccccc4)CCCC3)C[C@H]1CS(=O)(=O)C2 1473850237 KOPOIPNQPINQCU-GHTZIAJQSA-N 401.532 1.485 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493953633 ZEZATSDGMGQPMY-YKHTYXQRSA-N 400.483 1.545 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1503844065 GIOKQCNPRLMIQB-IAGOWNOFSA-N 408.462 1.485 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1507540507 ZSEGTPOSHKOLTK-CVEARBPZSA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1507622968 NEAXADITNQRYOM-HNNXBMFYSA-N 407.540 1.074 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCc2nccn2C1 1507677936 PANORFTXYGPZJC-MRXNPFEDSA-N 404.478 1.844 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1507679077 GIORRKFMTAJHPF-CQSZACIVSA-N 403.508 1.426 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1507679841 RRXHUHMBTYWNFC-OCCSQVGLSA-N 410.569 1.916 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1507713540 NVJUUNASVYKONE-HSZRJFAPSA-N 423.517 1.321 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)CC1 1507715781 ICSAXLMCGBBXQJ-SFHVURJKSA-N 422.537 1.165 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H]2CCC(=O)N2)CC1 1507733188 ZJMOPNSLVJQHKA-LJQANCHMSA-N 422.533 1.508 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508075250 VWVSZGGUDBSUHT-FUHWJXTLSA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1508087978 VDESUWNBMKMBJI-IBGZPJMESA-N 423.496 1.487 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](OCC)C1 1508137778 QZTCARVNIJPTCA-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCc1ccc(O)cc1 1510147203 AJMGDMYYKRMXGX-KBPBESRZSA-N 406.512 1.575 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1510322453 BCFLXYGNMBAZBL-IYOUNJFTSA-N 411.503 1.437 30 10 HDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1515672970 ATNAFLNAJFKGTE-CJNGLKHVSA-N 402.455 1.193 30 10 HDEE CCOCc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1516437977 DFYDDYGGQCVKPK-MSOLQXFVSA-N 410.478 1.543 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(C(COC)COC)CC2)CCCN1C(=O)OC(C)(C)C 1535968088 AJYNFMNNQLQKBW-QFIPXVFZSA-N 423.554 1.585 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)cc2C1=O 1537435513 JRUGBLTYABZEKQ-SFHVURJKSA-N 413.474 1.472 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H](OC3CCOCC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1538308335 ARQFZPPMNRBKGA-QRFRQXIXSA-N 404.488 1.320 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1539179280 OHXDFNIEQQQLQM-QGZVFWFLSA-N 415.519 1.048 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539202143 GIRSEOLYWDQBCP-ROUUACIJSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539211011 FPKULTPLMDAKGA-DNVCBOLYSA-N 406.508 1.634 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)OCO2 1539284294 LWLWJDJTPXSGSG-PXNSSMCTSA-N 408.458 1.852 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCOC1=O 1539332440 RBSFNLDSTBBLEH-UHFFFAOYSA-N 412.519 1.939 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1539342908 BTVKGEUVDRJQNL-ZDUSSCGKSA-N 405.480 1.125 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1539365966 TUKQNAHXWLLUCF-PMACEKPBSA-N 402.587 1.905 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1539511513 YITDWYVHFBSFNL-HNNXBMFYSA-N 424.530 1.784 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1539626258 BZZIIZIJRLPHAP-ROUUACIJSA-N 411.510 1.783 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCO[C@H](C)C1 1540072006 JAWFRGFKJIBNIK-OAGGEKHMSA-N 413.544 1.048 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540080867 QOCPSNXEJLIDBT-INIZCTEOSA-N 419.551 1.781 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1540170299 MSBYELGTXHLAEW-KRWDZBQOSA-N 421.567 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(N)=O)C1 1540899522 QXYHWZWXSITGMU-AWEZNQCLSA-N 407.496 1.149 30 10 HDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540922673 VPWPWLCLLRGSEF-RZQQEMMASA-N 421.567 1.564 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)n[nH]2)cc1 1541115236 ZMKZVDGYJLQGTG-XQNSMLJCSA-N 402.480 1.676 30 10 HDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1541256338 UCRYQCHPJLXAGV-JKSUJKDBSA-N 410.544 1.563 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2CCCO)n1 1543011021 AJJIDJDAUHHASA-VQIMIIECSA-N 414.558 1.582 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)cc1 1543123833 HUVYJEAAOLHXTQ-UWSJRVABSA-N 408.524 1.283 30 10 HDEE Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543264708 OFLHALLIKGFEHR-RAJOGRCSSA-N 410.482 1.230 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1545162109 ILAVYAMCRLOOHK-CQSZACIVSA-N 413.482 1.424 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](COC)OC 1548175962 YTTIDMLTEKDARC-QGZVFWFLSA-N 415.498 1.069 30 10 HDEE CCCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(N)=O)C1 1548367513 HDYSTGAXWKESQW-AWEZNQCLSA-N 404.414 1.293 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCn2cccn2)C1 1554355753 CDTMGNYKXDLEQL-OAQYLSRUSA-N 406.494 1.216 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CC1 1555557757 CCLICPHPXJARRC-OAHLLOKOSA-N 411.528 1.116 30 10 HDEE C=CCCC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OC 1558380174 BLDAGXDLNYLWIV-QGZVFWFLSA-N 409.508 1.496 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1559668540 CVULRMVPNQYFOU-NRFANRHFSA-N 415.515 1.997 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](Cc4nccs4)C3)CC2)o1 1560214380 LVNWZVUTFYSQBG-HNNXBMFYSA-N 400.508 1.524 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CCOCC1 1567046871 IKQVZMUUZWRKSV-INIZCTEOSA-N 412.439 1.211 30 10 HDEE COC(=O)[C@H]1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1585490771 CWRJRQKHBSWJRH-HDJSIYSDSA-N 407.492 1.353 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1585942906 NGURVCNGXBSKJA-LSDHHAIUSA-N 416.544 1.504 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1 1586488306 PJWMSCMLFNBSPO-KBPBESRZSA-N 402.517 1.114 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccc(OC)cc1 1587989630 LINNAQCNOQIJAF-CVEARBPZSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1588030668 ZJEOZPSIEMCEBI-MRXNPFEDSA-N 417.535 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H](C)N1CCOCC1 1588205699 QZHVXVAGAPEWAL-SFHVURJKSA-N 421.501 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccco1 1588238248 NZRGMNNOFUYSPO-UHFFFAOYSA-N 402.458 1.750 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588262784 LCPGONBLMHTUOI-LAUBAEHRSA-N 401.511 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCCC2)CC1 1588742285 PZTYDUPISGFVNA-INIZCTEOSA-N 406.556 1.144 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCSCC(F)(F)F)CC1 1588812415 RHSFXOBSBZDALO-AWEZNQCLSA-N 403.474 1.833 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[S@](=O)CC)CC1 1588913162 AMQVUIQFRJBOOI-GDLZYMKVSA-N 416.551 1.018 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)nc2)CC1 1594408218 GAPZYXVULVGDSX-UHFFFAOYSA-N 409.494 1.345 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1595062404 PSESDDLJQPRPJD-GOSISDBHSA-N 416.551 1.843 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1595064774 AUUWTKIDNSYTFL-KRWDZBQOSA-N 400.527 1.814 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1595905013 AKADLMRUOFEBSY-SJORKVTESA-N 421.567 1.876 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(c2ccccc2)C[C@H](O)C1 1596193639 FFWDTURIIPYVMC-OQIWPSSASA-N 413.499 1.324 30 10 HDEE N#Cc1cncc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1 1596855693 JVJUMKXHGSMKKC-ZXYDQQDNSA-N 403.442 1.373 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(O)cc2)CCOC1 1610903781 OUAUDMQFUROJET-RXVVDRJESA-N 413.478 1.801 30 10 HDEE N#Cc1cccc(C(=O)Nc2ccn(CCN3CCNC3=O)n2)c1Br 1611031800 UNDXDMWUTQSNTI-UHFFFAOYSA-N 403.240 1.795 30 10 HDEE N#Cc1cc(F)c(C(F)(F)F)cc1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1611833871 IRKRKOKLAAMDAV-UHFFFAOYSA-N 412.343 1.514 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1615093227 CYYQBHYOBUKMIH-KSFYIVLOSA-N 424.505 1.679 30 10 HDEE CC1=NNC(=O)[C@@H]1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1615962615 FTXCFEYVWJDFFZ-CQSZACIVSA-N 404.268 1.385 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(s2)CCc2sccc2-3)C1=O 1616968724 RRUBNVYLDDIAPI-UHFFFAOYSA-N 402.457 1.886 30 10 HDEE C#CCn1cc(CNC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)cn1 1618807266 LAMSBZCRTYOFGS-DENIHFKCSA-N 410.474 1.949 30 10 HDEE COCCOC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1620056183 GZUZVCYHCKMEDY-UHFFFAOYSA-N 411.466 1.823 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3nn4c(c3Br)CCC4)CC2)c1 1624913658 ZQXZDTCGLHJKHT-UHFFFAOYSA-N 401.268 1.821 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nccs1 1625082242 CGXJZHLNCCMAIT-BRWVUGGUSA-N 400.504 1.855 30 10 HDEE C#CCN(C(=O)c1c(Br)nc2n1CCCC2)[C@@H]1CCS(=O)(=O)C1 1626435013 RBLRWDDVMIFCPM-LLVKDONJSA-N 400.298 1.244 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)CC1 1626657905 IOQKHUGJKHXHHW-SFHVURJKSA-N 400.479 1.062 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)Cn3nnc4c3CCCC4)c(C#N)c2N)cc1 1629236817 ZDFQBXUXURVYKP-UHFFFAOYSA-N 418.505 1.854 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CSC1 1632571948 VEHJESZHTZGNCK-UHFFFAOYSA-N 408.423 1.441 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CC)CC1 1633156191 LBFIVRFREIWDKR-AWEZNQCLSA-N 423.963 1.953 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1633988956 IVTGCGMLMVHKPZ-BDIVNLMLSA-N 404.467 1.513 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC3(C#N)CCCCC3)CC2=O)C1 1637012285 NEXRQLFNOOIRAO-HNNXBMFYSA-N 419.526 1.980 30 10 HDEE N#Cc1cn(CCC(=O)NCc2nc3cc(Br)ccc3o2)c(=O)nc1O 1637060808 ARSYLBFHEIVFRK-UHFFFAOYSA-N 418.207 1.431 30 10 HDEE CSCC[C@H](C(=O)NCc1ccnc(C#N)c1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1640009903 VTVJLMOIVWQIKJ-YESZJQIVSA-N 400.504 1.866 30 10 HDEE CNC(=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1640882645 APPJYZFDAQLMQE-GFCCVEGCSA-N 416.459 1.232 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1644461236 AQOQNORPHRHNEO-GFCCVEGCSA-N 410.414 1.697 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1647863807 RPUQAOLBVKCROQ-SFHVURJKSA-N 417.575 1.906 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 1653122889 DEBKJTMWNBPYFO-SJORKVTESA-N 419.503 1.432 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCC[C@H]1C#N 1655297447 XOVKSRPSASJOSI-WMLDXEAASA-N 403.508 1.720 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)cn1 1655958854 UOPZVWPPMLCYDG-UHFFFAOYSA-N 414.484 1.286 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCS(=O)(=O)C[C@H]2C2CC2)c1 1664546785 YHZSEEWHKJKEPZ-KRWDZBQOSA-N 412.533 1.190 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 1671495593 UOCGRPPIZXVCIN-ZNMIVQPWSA-N 407.471 1.275 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673448391 IRGHBBSJFUGREP-OAHLLOKOSA-N 405.476 1.028 30 10 HDEE C#CCN(C(=O)NCc1nnn(C(C)(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1673979832 WCBGRYUBYQSIGG-UHFFFAOYSA-N 419.530 1.972 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(S(=O)(=O)N3CCCC3)CC1)C2 1675449612 BHBOFLTXXVPJAC-SFHVURJKSA-N 402.520 1.625 30 10 HDEE CCOC(=O)c1c(NC(=O)N(C)[C@@H](C)CN2CCOCC2)c(C#N)cn1CCOC 1676108573 FKVGEHBORUFNLV-HNNXBMFYSA-N 421.498 1.367 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2C[C@H]3CC[C@H]2C3)CC1 1677139678 BCGPBSLFXRZUBG-IRXDYDNUSA-N 417.535 1.292 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3C[C@H]4[C@H](C3)C4(F)F)CC2)cc1 1682652786 IDNNWJVARLAEMX-HOTGVXAUSA-N 410.446 1.618 30 10 HDEE C#C[C@@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1 1683508348 QVMQJECMBDQVIN-IAGOWNOFSA-N 410.312 1.458 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)[C@@H]1CCCc2ccccc21 1685349761 MUCUUCIYQQCBPD-QGZVFWFLSA-N 411.549 1.766 30 10 HDEE C=CCONC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1686482673 CWUHAUXJECLYEG-HZPDHXFCSA-N 423.514 1.681 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCS(C)(=O)=O 1689922632 UUZARIVJHRCBFV-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689979626 FHDBIBXVQLCKNS-LTIDMASMSA-N 410.540 1.285 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689997072 VGQAREPYOOXFJX-QGZVFWFLSA-N 416.551 1.567 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1689999941 NEPRAFKTJWSLMC-UKRRQHHQSA-N 420.564 1.530 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690285810 PKKBZSUAUKBDQK-MRXNPFEDSA-N 410.478 1.473 30 10 HDEE C=CCN(c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C)C1CC1 1690541143 PMUTWLFWRSTLBL-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(N)=O)C1 1690683525 MYRVGPXAMVMADA-QGZVFWFLSA-N 424.505 1.325 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2nccs2)C1 1690726509 CGEUEKRPXQBPHG-OAHLLOKOSA-N 423.564 1.866 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1690742591 VHZKQGYDAVTUTG-CQSZACIVSA-N 413.569 1.162 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1695664297 KRQLCJIDFPJIMU-SFHVURJKSA-N 413.526 1.736 30 10 HDEE C=CCn1cc(C(=O)N[C@@H](CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)nn1 1701261430 JENGIHGTODUZBQ-KQHFAPEESA-N 401.511 1.490 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1705486211 ZGLURGVPLARYAN-IAGOWNOFSA-N 421.509 1.099 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)CC1 1705510808 YSUXZMATKDCOBZ-QGZVFWFLSA-N 410.588 1.470 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1705564799 CQYSQOSNPQICTF-YQQAZPJKSA-N 400.508 1.579 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1cnn(C)c1 1705699098 CHIANSRVENSCEU-AOIWGVFYSA-N 413.526 1.970 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)NC)CC1 1705783756 SZIGZMHCIQYGDJ-UHFFFAOYSA-N 407.515 1.960 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705825566 XANIUXKPXVKTMW-GOSISDBHSA-N 413.526 1.283 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1705861253 ZQWNEVVHRHDEOH-QHCPKHFHSA-N 424.549 1.773 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1705890792 IVSLLWHWQVIZCO-CYBMUJFWSA-N 405.471 1.279 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705892042 STWOLOUQSDNWFI-UHFFFAOYSA-N 410.569 1.680 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC2([S@](C)=O)CC2)C1 1705926949 OFXUZVZIVXNXMC-UULLZXFKSA-N 401.536 1.956 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1706199868 OFPSZFDAJMGEEU-FUHWJXTLSA-N 424.505 1.605 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1710994434 HQMFYEOMVUFLTP-HRCADAONSA-N 415.523 1.322 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1711471654 DJFZBACJFFMARZ-UHFFFAOYSA-N 421.465 1.387 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C 1712454790 SHRQWBHYVIHCGY-MRXNPFEDSA-N 421.523 1.805 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)CC1 1712881657 CQJFAUNMXOIXQZ-UHFFFAOYSA-N 415.885 1.592 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722329482 GWWFRMOSKBCHEC-SFHVURJKSA-N 421.505 1.829 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1nncn1C 1722351048 GASIQDQVIFMMRB-UHFFFAOYSA-N 414.514 1.639 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722370531 CGCOWESWKQYDGS-LSDHHAIUSA-N 414.478 1.282 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1722398670 HPGHYQMCVLXKKI-INIZCTEOSA-N 410.503 1.382 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[S@](=O)CC 1722424029 YXFXHEMORPSUPK-MUUNZHRXSA-N 404.492 1.528 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CC1 1722436347 DNLSQIGIKXXQHF-CYBMUJFWSA-N 416.473 1.280 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCN(CC)CC1 1722449341 URHLJHOYMPHVGV-SFHVURJKSA-N 402.543 1.437 30 10 HDEE C=C(C)COCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)C1 1722531186 OXZQSCVSQNTDCR-UHFFFAOYSA-N 407.478 1.864 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCCCCC1=O 1722861172 DWASKTLCXYOYAY-MRXNPFEDSA-N 403.531 1.805 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc(C(C)(C)C)no1 1722864659 UXYANCHAZCJVBL-STQMWFEESA-N 423.543 1.818 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730494922 RAAUVWJZSZBHHF-GOEBONIOSA-N 402.430 1.649 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@H](O)C1 1730758526 BKHXCDSBXYTKIE-DLBZAZTESA-N 404.515 1.432 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCO[C@@H]1C 1730760868 CXBVCYORLQDDMW-OXQOHEQNSA-N 400.483 1.555 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740610235 VAXALAPBNGBAKQ-CVEARBPZSA-N 415.460 1.895 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740636927 ITVSEFRQJUIHMC-QGZVFWFLSA-N 420.439 1.999 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@@H]1C 1740664270 KKGTXGCAHJKEIG-QRWLVFNGSA-N 418.519 1.348 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2=CCCOC2)CC1 1740690057 MWVSCFXXKWXGTQ-UHFFFAOYSA-N 407.478 1.027 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)C(=O)NCC)CC1 1740695607 YKOMDGZZHDUENP-UHFFFAOYSA-N 409.538 1.566 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)CCOCC2)CC1 1740700827 JLPXPMVWWVEETD-OALUTQOASA-N 417.554 1.574 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(=O)(=O)CC 1740758561 ZEQGTAQWZMXIEN-WBVHZDCISA-N 422.555 1.531 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1740889792 LAYHVDHBDCGOAX-UHFFFAOYSA-N 418.523 1.026 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCC1 1740940423 FPBIBJQOSLQOFM-UHFFFAOYSA-N 403.483 1.950 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740954398 LINFTJJNTSORQA-GOSISDBHSA-N 419.489 1.320 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)N(C)C 1741862405 HNABLXOPTJGSOI-AOMKIAJQSA-N 423.521 1.395 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1748077541 DFPCXJDVUGJDIC-QFIPXVFZSA-N 424.505 1.585 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1748123767 NTQCSIOSMVWCEZ-GFCCVEGCSA-N 413.507 1.965 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@@H](C)CCC 1748779903 XVIRGNDNGWRSDF-INIZCTEOSA-N 421.509 1.543 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748812543 VXSUDJBVSGUPPK-QGZVFWFLSA-N 403.508 1.392 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748817994 ULBZOEXMBUYNMS-INIZCTEOSA-N 418.519 1.533 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1748929713 ODSMSKQQMYJRPS-OAHLLOKOSA-N 405.549 1.805 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C)nc2)CC1 1749008968 DTROOUUDINZTNL-LJQANCHMSA-N 408.506 1.500 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1749406162 BXYGQXQNPZODQC-LJQANCHMSA-N 415.542 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1749663745 PEGQIQCKZLWHIU-KRWDZBQOSA-N 409.538 1.953 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2(=O)=O)C1 1749705565 JIYCPLZQISRVPM-HZPDHXFCSA-N 418.523 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749734541 KFYIHFSAKAQZKH-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1749754583 OVAWYYWPUOKIBR-MRXNPFEDSA-N 416.555 1.657 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1750078362 FTTVRHAHCSGSEJ-HNNXBMFYSA-N 421.505 1.331 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCCCCO)c1 1750381780 DVEQLOQSRJEWSO-SFHVURJKSA-N 409.494 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1760102955 VRRCSPIKZSCCLZ-CYBMUJFWSA-N 422.507 1.473 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1CC(=O)N(CCOC)C1 1760179097 MFJXCSYHQOUNGP-ZHALLVOQSA-N 417.554 1.761 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1760182720 LLZOZCRJCUQQAZ-GPMSIDNRSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760186478 NUJWKDMUFHSLOG-ZWKOTPCHSA-N 407.584 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)OC 1760216664 WTPXMOGWCXVMEL-INIZCTEOSA-N 404.474 1.690 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2cccc(N3CCOCC3)n2)CC1 1760254496 YIUCYROPJXHGOA-IBGZPJMESA-N 423.565 1.827 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1760358549 WMDYKVUACJWSNI-APWZRJJASA-N 407.540 1.903 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 1760388654 VLGSDAUHRMBCRR-UHFFFAOYSA-N 408.409 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1760558629 VMSXICSVWDLEEE-QFBILLFUSA-N 412.556 1.910 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1761037055 RIHCTBOOEJBJKJ-QGZVFWFLSA-N 408.510 1.348 30 10 HDEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1761610753 FJESDUCZAAQFFE-ZDUSSCGKSA-N 423.568 1.636 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1763297629 UZMGXNPGAARGTB-ZWKOTPCHSA-N 421.505 1.590 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1767552252 ALVNVIQIDPPBRX-AUUYWEPGSA-N 422.555 1.082 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCNC(C)=O 1767936728 XCAACBPUZDGSBW-UHFFFAOYSA-N 411.510 1.539 30 10 HDEE COCCOCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1770152080 CGXZVXGVZRHHRC-MAUKXSAKSA-N 419.457 1.949 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCO[C@H]1C 1770189200 DWCWQMVLFSTVIC-DBSRCYSRSA-N 419.526 1.672 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1OC 1770298666 XIXCMWLJKLNCOA-ZSYWTGECSA-N 413.478 1.207 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)cc1 1772789675 CYHDUXIFQBQGIF-CYBMUJFWSA-N 407.382 1.752 30 10 HDEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCN1CCCCCC1 1850274215 AIJHZWBGPCAILF-MRXNPFEDSA-N 400.548 1.765 30 10 HDEE CC(C)[C@@H](C(=O)Nc1c(C#N)cnn1CC(F)(F)F)N1CCS(=O)(=O)CC1 1851784570 OJWUILOTKSOXGJ-LBPRGKRZSA-N 407.418 1.011 30 10 HDEE N#Cc1cccnc1N1CCN(CCOCc2cn(Cc3ccccc3)nn2)CC1 1852268871 DBZQHGIBBGOCJE-UHFFFAOYSA-N 403.490 1.932 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCC(n3cnc4ncccc4c3=O)CC1)OCO2 1852647634 ZVKOOGACJOLTBN-UHFFFAOYSA-N 417.425 1.798 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCC(COc3ncccc3C#N)CC2)C1 1852982143 JDKJOGYEKBOQJO-QGZVFWFLSA-N 406.508 1.242 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCCO3)C3(CCCCC3)C2=O)CC1=O 1853926843 ICWQHNNFOYCXCO-QZTJIDSGSA-N 403.523 1.574 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(Cc3ncon3)c3ccccc32)CC1=O 1854062100 AIKOQPIBJOGAHQ-HUUCEWRRSA-N 409.446 1.763 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCC(Cn4cncn4)CC3)C2=O)ccn1 1854106906 GDKWXFWEZWCWFH-LJQANCHMSA-N 407.478 1.478 30 10 HDEE Cc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccnc(C#N)c4)C3=O)CC2)nn1 1854340357 SXMPZIQJNOWOHI-SFHVURJKSA-N 405.462 1.005 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN(C[C@H]4COCCO4)CC3)CC2=O)cc1 1854442598 UQQVMRSYXRTIPW-SFTDATJTSA-N 411.502 1.603 30 10 HDEE Cc1ccn2c(=O)cc(CN3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)nc2c1 1854581237 MSPPMWJKILMHKH-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE C[C@H]1CN([C@@H](C)CCC#N)c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C1=O 1854738478 UWOACTVPJJEDGG-GJZGRUSLSA-N 418.519 1.586 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@H]4CCCCO4)C(=O)C3)C2)s1 1856292707 ZPJZFYAVWWLXSJ-DLBZAZTESA-N 416.547 1.824 30 10 HDEE C=CCN1CCN(C(=O)Cn2cnc(-c3ccc(OC)cc3)cc2=O)C(=O)C1(C)C 1856402255 JZISIJJBVKPLPE-UHFFFAOYSA-N 410.474 1.554 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)Cn4cccn4)C3)CC2)cc1 1856634980 AQVQVDGFIPVZOR-SFHVURJKSA-N 407.474 1.673 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856900038 ZUMDUEJUXFCCPK-SJORKVTESA-N 407.492 1.669 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)C1=O 1856911709 KXSIGERNVUJGQN-IBGZPJMESA-N 411.506 1.265 30 10 HDEE C=C(C)CN1C[C@@H](C)C(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1857038015 NXCICXPAUQZVTD-MRXNPFEDSA-N 423.535 1.486 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857051065 UVBDTHJBGBELFF-QAPCUYQASA-N 414.506 1.651 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857087293 KZOBNWVEBMAYJM-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)CC1 1857309957 OMYLLUDSXSTNFH-QGZVFWFLSA-N 404.511 1.997 30 10 HDEE CCC[C@H](F)C(=O)N1C[C@@H](CN2CCN(c3ncccc3C#N)CC2)CCC1=O 1857397778 PZLGOZPUGKQUJU-AEFFLSMTSA-N 401.486 1.979 30 10 HDEE N#Cc1ccccc1NC(=O)CC[C@]1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O 1858172534 CXBVVHYPTWPXNU-OAQYLSRUSA-N 403.398 1.506 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N(CCOC)CCOC)cc1 1860635059 QCQTXTVUPPFLJA-FMIVXFBMSA-N 420.506 1.638 30 10 HDEE Cc1cc(Br)cc2c(=O)c(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)c[nH]c12 1866461404 QJTOJKMBPLHCPO-UHFFFAOYSA-N 411.219 1.934 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)CCCc2ccc3c(c2)OCCO3)cc1 1866789505 NKNONUGHWUJGIT-GOSISDBHSA-N 409.442 1.768 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1Cl 1870151291 RCLRULIKLYFASF-NSHDSACASA-N 402.842 1.996 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622233 HBAMOWHWQOVTCY-UHFFFAOYSA-N 411.510 1.532 30 10 HDEE O=c1c(Br)c(N/N=C/c2cccnc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873526884 BCXLKNDYKGCKMR-RGOWCBCBSA-N 412.269 1.206 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N3C[C@@H](C)C[C@@H](C)C3)ncnc21 1873560707 JWBSBMKSZRHIAG-IYBDPMFKSA-N 401.511 1.526 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)[S@](=O)CC12CC(C#N)(CO1)C2 1882554223 JGEHNEAYFRYYOX-OJXRGPHPSA-N 420.487 1.966 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2)c1 1891178975 UINJCFPMWPVTAQ-QGZVFWFLSA-N 408.462 1.511 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2ncccc2C#N)CC1 1892211939 SAKQJWRESBHWQJ-UHFFFAOYSA-N 416.441 1.470 30 10 HDEE C#CCC[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 2041211503 DLTOXKXGGXSRRH-OAHLLOKOSA-N 406.460 1.095 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(N)cc1C#N 2108232409 YBWUJQPRARJEPR-LJQANCHMSA-N 416.434 1.907 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2118167637 PHFWRCOESNSVLH-SFHVURJKSA-N 415.471 1.874 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174789684 TYMHOBAFJVIEMG-QGZVFWFLSA-N 404.508 1.796 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243419131 RWXHBQAVGURULQ-WCQYABFASA-N 406.292 1.352 30 10 HDEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2243422945 OQWSFJJIVIXYII-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247913345 UPDMZRGDNSGDDV-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE CC1(C)SC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468729 MEGQIMYBYIPFTJ-NSHDSACASA-N 404.388 1.756 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(O)CCOC3)cc2Cl)OC1(C)C 2282306085 IJUCBIOVJFCYME-OAHLLOKOSA-N 423.749 1.130 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1N 2282325292 CFYMSCFAEUCHGN-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE CN(C1CCC(O)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344573 CKCNSNBGVQPPDI-UHFFFAOYSA-N 401.359 1.971 30 10 HDEE CC1(C)CN[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349420 YJFFVWUWJNLBGT-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H]2C(N)=O)OC1(C)C 2282500602 ZGTHTUREFCCLHQ-LBPRGKRZSA-N 400.331 1.076 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCSC(C)(C)C2)n1 2282506998 AHAOFGQGYFEOTD-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282603992 NKSQSHRZPLDFRB-RYZVSIALSA-N 400.375 1.965 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCCO)C1CC1 2282827401 YXHFEQRUDWPFMI-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CC1(C)CCC(=O)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832520 AHIXCQFREQMQCU-UHFFFAOYSA-N 400.331 1.673 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CCCO)C1 2282832778 CHNIHRNLNNVIBO-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282834567 LKFKLYFGEVZPLG-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848150 JYRNGWDXUGVXRP-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE Cn1cc(Cl)c(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2282856271 PZDGUQVPYXVYKZ-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC(C)C[C@@H](CO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282859110 HZKBAUNHLLYYPV-CYBMUJFWSA-N 403.375 1.980 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCOCC2CC2)OC1(C)C 2282870103 MTCDKTXGPZAIKF-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE C=C(CS(=O)(=O)NC1CC(CCS(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282872603 ZEFNSLPXGPIRFM-UHFFFAOYSA-N 407.363 1.307 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282878306 DKQJHCBNUMQQCS-INIZCTEOSA-N 402.347 1.226 30 10 HDEE CC1(C)OB(c2cc(Cl)c(C(=O)NCC3(O)CSC3)cc2F)OC1(C)C 2282921012 GNLGKMCXCXGOJG-UHFFFAOYSA-N 401.696 1.986 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSC[C@@H]2C(=O)O)OC1(C)C 2284393144 HHAFIWPRVSFLSV-LLVKDONJSA-N 419.355 1.238 30 10 HDEE CC(C)N(CCC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284414302 GECCKERAXPJYEU-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CCC1(CS(=O)(=O)NCc2cc(B3OC(C)(C)C(C)(C)O3)cs2)COC1 2287113578 KOBZNISIBAVZBL-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 2314522410 IIPGVTCJQKQJJU-FQEVSTJZSA-N 409.442 1.985 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=Nn1c(SC)nncc1=O 2321663943 VSTCSERMNRTPRF-UHFFFAOYSA-N 403.420 1.528 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338222303 WDOXMLSTMQWIGX-ZIAGYGMSSA-N 401.554 1.801 30 10 HDEE COC1(C#C[C@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363524110 DILAEMQFXIGDRG-JKSUJKDBSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365211545 MLMXDHPJPDMTEF-DZGCQCFKSA-N 401.525 1.779 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367785843 GMABEHLSGOWFSI-BZUAXINKSA-N 402.557 1.863 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2373187300 SWVUTCIEWSDLEI-RDTXWAMCSA-N 402.513 1.516 30 10 HDEE C=CC1(NC2(C(=O)O)C[C@@H]3CC[C@H](C2)S3(=O)=O)CN(C(=O)OC(C)(C)C)C1 2377256955 VIORHDLKWUOTPL-NCNPBXTDSA-N 400.497 1.315 30 10 HDEE COCCN(C(C)=O)c1nc(CN2CCN(c3ncccc3C#N)CC2)cs1 303583924 KXTOKJQVXCRDDF-UHFFFAOYSA-N 400.508 1.731 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1ccccc1Br)n1cnc(C#N)n1 409890631 YMSLSTDYOLWMAA-HZMBPMFUSA-N 403.240 1.173 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 431231809 WDTRZNXWPPGTFL-GUXCAODWSA-N 421.519 1.677 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 432069642 PBSHZANOQVHGPQ-UHFFFAOYSA-N 423.498 1.643 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 464398929 MZGKCYGSPWDSPS-UOVPBQLFSA-N 403.431 1.825 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 473392191 XXUQHQOTBARZEB-UHFFFAOYSA-N 419.503 1.515 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)c1 475810485 QJAYXSILGTZPSQ-UHFFFAOYSA-N 422.493 1.563 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)N1C(=O)NC2(CCCC2)C1=O 479278988 IIJDHQAKFLEABG-QGZVFWFLSA-N 423.517 1.914 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)n1 479390637 XEBPGXBNSNOVFL-HNNXBMFYSA-N 413.499 1.221 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)[C@@H]1c1cncn1C 480112436 DWHUYZBMTCAYQF-SQGPQFPESA-N 400.527 1.462 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC1 498720788 SKVZKPZNYLSMPV-CTNGQTDRSA-N 413.566 1.526 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3c4ccccc4C[C@H]3C(N)=O)C2=O)cc1 504903028 NOGXJEHSWMGKCT-AEFFLSMTSA-N 417.425 1.206 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508918241 MIZSJMTYJWQRTK-UHFFFAOYSA-N 423.521 1.515 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(N3CCN(CC)CC3)c(F)c2)CC1 522208262 NYELDGUBYSTEBD-UHFFFAOYSA-N 417.529 1.028 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc1 552584927 AJARNRSMGVWNRM-INIZCTEOSA-N 400.460 1.750 30 10 HDEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)CC1 555573816 RHDQBEHWUKRYHM-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2c(C)noc2C)C1 558677529 LSBPMSPGZRRQQO-HIFRSBDPSA-N 424.527 1.475 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CCN(c3ccc4cccc(O)c4n3)CC2)CC1 565737404 OTGFYWGKQNRJHI-UHFFFAOYSA-N 407.474 1.741 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 575369562 WLKBCJVWQVFYMC-DOTOQJQBSA-N 405.524 1.994 30 10 HDEE CN(CCC#N)C(=O)C[S@](=O)Cc1cc(=O)c(OCc2ccccc2)cn1C 586361151 ZDPFTZLGXRXANV-MUUNZHRXSA-N 401.488 1.585 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cc3c(cc2OC(F)F)OCO3)c(F)c1 586859644 DJCNTCCTKBEGPB-UHFFFAOYSA-N 421.331 1.960 30 10 HDEE C[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1(S(C)(=O)=O)CC1 588212122 CQEUTUSALHJPAA-LBPRGKRZSA-N 407.496 1.221 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)CC1 589797967 UYINDVHLUFYZRR-KRWDZBQOSA-N 405.414 1.106 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)cc1 603798489 LYIARBZPPCORGF-QGZVFWFLSA-N 411.527 1.425 30 10 HDEE Cc1nnnn1-c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 609049850 XLWMMDRQIREJIO-UHFFFAOYSA-N 407.413 1.731 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609257022 QHRQIEPNDAQZCI-UHFFFAOYSA-N 404.423 1.203 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 619707966 UKUPPAMNBWSJGC-SFHVURJKSA-N 415.519 1.697 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671278 SYRWGVPTJLWJFW-UHFFFAOYSA-N 421.526 1.529 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)(F)F)cn1 730143754 DNQAQGGGAOMDSU-GFCCVEGCSA-N 420.461 1.465 30 10 HDEE CC1CCC(N2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)CC1 731410058 INRRAUIOIFRMGK-ZCDVPAHGSA-N 403.504 1.931 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CCN1C1CC1 732652108 NHYJOQKKSQWWEQ-ICSRJNTNSA-N 410.518 1.893 30 10 HDEE COc1ccc(CNC(=O)NCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 747404236 RTUICZSLQDRNTN-UHFFFAOYSA-N 407.474 1.715 30 10 HDEE CCc1c(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754533239 PKBNOZVYLZYMHS-CQSZACIVSA-N 424.432 1.873 30 10 HDEE C=CCNC(=O)COC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 756749205 KQQPBLKMLZQAFP-LLVKDONJSA-N 404.282 1.704 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC1CC1 757865509 HKSWDUYNMDCOQL-QGZVFWFLSA-N 403.508 1.640 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)cn1 759696670 KDRUCSMSMBNECG-MRXNPFEDSA-N 404.540 1.621 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)S(=O)(=O)c1ccc(F)cc1 760408349 IRMOGDLWFPICHN-ZDUSSCGKSA-N 416.496 1.908 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 764633838 CMUORJRQJGXBIF-KRWDZBQOSA-N 415.494 1.628 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 776181748 LUZKTWCRPGKHDV-CAOSSQGBSA-N 423.514 1.912 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 777011354 HVZKSVNHHCUHEJ-UHFFFAOYSA-N 403.435 1.458 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)[C@H](C#N)C(=O)N3CCCC3)C[C@H](C1)C2=O 778605565 ROORRDYUNSGPQZ-UYTSQGDYSA-N 403.479 1.780 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[C@@]4(CO)C3)c2)c1 782729931 BVOPMJVFTLLHPI-DVECYGJZSA-N 418.449 1.652 30 10 HDEE COC(=O)Cn1cc(C=NNC(=S)NCCCN2CCOCC2)c2ccccc21 794870496 OPHBIMJQVGIGEU-UHFFFAOYSA-N 417.535 1.335 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)ccn1 795966369 AHFDYKRKOJIVPD-UHFFFAOYSA-N 406.442 1.389 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(C(=O)COC(=O)c2ccnc(C#N)c2)CC1 795968236 XTKSIYXTCKTBHR-UHFFFAOYSA-N 406.442 1.840 30 10 HDEE COc1cccc(N2CC[C@@H](NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)C2)c1 804118608 VVUNQALZYQDQRV-QGZVFWFLSA-N 408.458 1.587 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCCCSCC#N)C1=O 805509186 VLUAAVGVTMRZQD-LJQANCHMSA-N 405.476 1.961 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)c1ccc(F)cc1 812749432 OOJNIJKQOIVUMV-SJKOYZFVSA-N 403.435 1.082 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)C2)c(F)c1 856615066 XXOKBBCUNLWTSK-GBESFXJTSA-N 421.476 1.901 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCc3cnc(C4CC4)nc3)C2=O)cc1 1116380916 MBLVFSIHIQFDAE-SFHVURJKSA-N 418.457 1.790 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1 1124495212 QBJSYPNVLSXOFE-UHFFFAOYSA-N 411.871 1.391 30 10 HDEE C#CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1125884451 VAWRIMHMQPSKMC-CYBMUJFWSA-N 411.277 1.348 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1126680907 JUJAMXXTURYYQV-JSGCOSHPSA-N 411.300 1.878 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1C[C@]12CCN(C(=O)OCc1ccccc1)C2 1127464697 XXIJQHBZHHXDDW-XLIONFOSSA-N 406.504 1.752 30 10 HDEE CN1CCC(C#N)(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1127702589 CUXMWZFDSBSSLN-HNNXBMFYSA-N 417.514 1.568 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1CCN(c2ccccc2C#N)CC1 1132099454 WWBAZNBOYHDNGB-UHFFFAOYSA-N 413.522 1.453 30 10 HDEE N#Cc1csc(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n1 1134256176 LUSJRVOXOCAZNQ-HNNXBMFYSA-N 404.517 1.873 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1141530402 QTOUZIABBISHHX-INIZCTEOSA-N 416.478 1.537 30 10 HDEE C/C(=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)CN1CCOCC1 1141804205 VENOIBKPPXQLLU-ANRSQQEDSA-N 420.535 1.716 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1142655719 UERXPFJAHFEAND-INIZCTEOSA-N 416.507 1.234 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1(n2cccn2)CCN(C(=O)OC(C)(C)C)CC1 1152127873 BRIYVUGQFGEHJL-UHFFFAOYSA-N 419.482 1.525 30 10 HDEE C=CCOC[C@@H](NC(=O)/C(=C\c1cccnc1)NC(=O)c1ccccc1)C(=O)OC 1155779418 LXYALPBEOQFLHX-HJDVLLJCSA-N 409.442 1.713 30 10 HDEE COCCOCCN1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 1164161396 ZHIRRHJTAUUZST-UHFFFAOYSA-N 406.552 1.778 30 10 HDEE C=CCN(CC(=O)OCC)CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 1167252176 WCEAHBMWOCRLKH-UHFFFAOYSA-N 403.523 1.781 30 10 HDEE C#C[C@@H](NC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1167413241 AQLWNKZQQVKCCY-MHNQQFQPSA-N 411.502 1.445 30 10 HDEE CC(=O)N[C@](C)(C(=O)NOc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1171256511 WFJGSQLAEYPTSP-IBGZPJMESA-N 401.444 1.423 30 10 HDEE COC(=O)C1=NO[C@]2(CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)C1 1175502062 BTYDWHLTCJEFDB-QVKFZJNVSA-N 414.462 1.724 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC(C)(C)CC#N)c(Br)cc21 1191159057 GNTRKPVWFTXNQH-UHFFFAOYSA-N 415.313 1.858 30 10 HDEE C[C@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1192254364 FNCGJNQKJDWVFM-SECBINFHSA-N 407.311 1.918 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1192318871 RZSLKXCSKZQWTO-LLVKDONJSA-N 401.282 1.386 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCC[C@H]2CS(N)(=O)=O)ccc1C(F)(F)F 1193653440 CFZCOXANNJPMMD-NSHDSACASA-N 411.427 1.409 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC2(CCOCC2)CO1 1248167575 FBMYHLLNIDXTIB-DLBZAZTESA-N 414.510 1.544 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286316361 KHFZWVWDZAMANG-VVLHAWIVSA-N 409.556 1.553 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1286327797 KFUOUNSIHCCKGP-SFHVURJKSA-N 421.505 1.271 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1286407104 CHYSGBWHCAZZSY-IBGZPJMESA-N 418.501 1.490 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1286432851 ACPZISGHLOULPZ-UYAOXDASSA-N 407.522 1.995 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(OC)cc2)CC1 1286471094 IBIUAQNTQZEFFQ-UHFFFAOYSA-N 422.533 1.521 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286758549 QAKNEUUJPVBKDH-HNNXBMFYSA-N 409.556 1.663 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286790511 TXEVCHOCGJNMQY-MCPYQZEQSA-N 401.536 1.830 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)C1 1287787689 IASHNFGETCFHEU-IAGOWNOFSA-N 405.547 1.369 30 10 HDEE C[C@@H](CC(N)=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1289314656 WGCYMCMWDAHHKU-LBPRGKRZSA-N 400.460 1.343 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)ccc3N)CC2)c1C#N 1296472525 UJLXURUUEDGENC-UHFFFAOYSA-N 403.284 1.907 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](C(N)=O)c3ccccn3)C2)C1 1298370419 BQLBVDXSNMDLEI-VQWQTIEJSA-N 413.478 1.511 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ccncn2)CC1 1299303233 WTCZEPHJKOIOOH-UHFFFAOYSA-N 413.503 1.702 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CSc2ccccc2O1 1299899489 GEGSAMWFRSANRZ-CYBMUJFWSA-N 417.512 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1300267540 HBBHUYOIRCWUSQ-MSOLQXFVSA-N 424.553 1.409 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(C)(=O)=O)cc1 1300280065 FLBVYHPZPAGXRW-SFHVURJKSA-N 423.470 1.352 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1300361607 HQSZMSNHENFRSX-GOSISDBHSA-N 422.537 1.567 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN(C)CC(F)(F)F 1300432412 VUEURJMRMUCAOR-KRWDZBQOSA-N 403.449 1.882 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300501590 MIPIFBWXKYCJGC-QGZVFWFLSA-N 421.567 1.020 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2OC)CC1 1300693298 WLHFYGMHXUIZTA-UHFFFAOYSA-N 422.537 1.392 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CSCCS2)CC1 1300696345 YWLMMZFEVGNSQU-QGZVFWFLSA-N 400.577 1.944 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300990297 UURJEFISIBHYLU-VQTJNVASSA-N 419.570 1.923 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1301467047 ALMCOYGPQFQHSK-HNNXBMFYSA-N 401.540 1.926 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301503335 ZDPHBHIZNSMUEJ-INIZCTEOSA-N 404.559 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1301577916 PXSZWHFBJVIVPS-UHFFFAOYSA-N 415.519 1.626 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301606108 JETOIQOBHPUQTJ-QGZVFWFLSA-N 412.523 1.966 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1302292939 DVALGNAQBWFDPJ-COPBIKPMSA-N 419.526 1.672 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccncc2Cl)CCO1 1303002393 WYXIETLFZSQDDA-CQSZACIVSA-N 401.858 1.340 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ccc(Br)cc3F)C2)c(=O)nc1O 1305590511 RNTXAFDWUSLUIW-UHFFFAOYSA-N 421.226 1.738 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](Nc1c(C#N)nnc3ccccc13)CCS2(=O)=O 1307228979 ZVNLWJIQOPMIOF-FWHMADFJSA-N 400.460 1.812 30 10 HDEE CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCCc2ccc(C#N)cc2)cc1 1309676775 FLZMSUXZALJIFV-UHFFFAOYSA-N 421.544 1.909 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)n1 1313315555 PXHSVLMSGNBWNX-SJLPKXTDSA-N 419.526 1.930 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)C1 1323851664 BFUYGSLIKKASQZ-HNNXBMFYSA-N 401.916 1.913 30 10 HDEE CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1349784895 AZKVKPUUBGOJRA-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358967162 FKPGUVNLEASBAZ-SJLPKXTDSA-N 416.503 1.510 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC[C@H]1COCCO1 1359026214 OPMVOGLKFSBDGR-KRWDZBQOSA-N 405.524 1.525 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359048133 GFXWXXXLIXQLMI-WBVHZDCISA-N 403.552 1.884 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](OCCOC)C1 1359083673 OUBYSNFTYCRDJT-KGLIPLIRSA-N 401.305 1.932 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCOCC2)C1 1359318977 QAJOIJMCTSKLNO-IEBWSBKVSA-N 415.542 1.428 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)C(=O)OCC 1438404492 PTJPGCCTOUDLKX-GJZGRUSLSA-N 410.833 1.436 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3cc(-c4ccccc4)[nH]n3)C2)C1=O 1438933205 KIFAAQZOKWUKFK-INIZCTEOSA-N 421.457 1.760 30 10 HDEE CCCc1c(C(=O)N[C@@H]2CCN(O)C2=O)nnn1Cc1cccc(Br)c1 1450160907 XFSCULDFTYALIJ-CYBMUJFWSA-N 422.283 1.761 30 10 HDEE C#CCOc1cccc(OS(=O)(=O)c2cnn(C)c2I)c1 1463050001 YWAMYYQCSVBWFQ-UHFFFAOYSA-N 418.212 1.804 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1463791696 ARGUTPQSVQTTNZ-FUHWJXTLSA-N 408.499 1.206 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2cccc(C#N)c2)C1=O 1464069019 QYGHETLEKOOODZ-KRWDZBQOSA-N 400.479 1.938 30 10 HDEE C=CCCS(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 1464206410 MBNKWXAEOFSKGI-UHFFFAOYSA-N 408.265 1.109 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CC1 1464355353 MIHDPGVNJYKESA-UHFFFAOYSA-N 412.577 1.992 30 10 HDEE C[C@H]1c2nncn2CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466884276 PVRHWVMPOWGRBH-UAWGMYSWSA-N 400.483 1.968 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)CCCOc2ccc(C#N)cc2OC)C1 1470835759 VYQIAAFDLUZSMR-MRXNPFEDSA-N 409.508 1.514 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1471935922 MZSOXYUGMUDOKI-UHFFFAOYSA-N 424.519 1.446 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1c(Br)nc3n1CCOC3)C2 1472224203 DSWYHGQSOMFXMM-UHFFFAOYSA-N 408.281 1.890 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2nc(O)c3c(n2)CCOC3)CC1 1479159182 XNWMBPXIXUGTJX-UHFFFAOYSA-N 412.425 1.297 30 10 HDEE CCCCOCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1500646811 WJLWFXCPGYCTLJ-FXAWDEMLSA-N 407.515 1.864 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1504854819 LVBGHDSCBHFTFZ-JOCHJYFZSA-N 423.521 1.254 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCCO)C1 1505319103 UYPRNGHPYRXSOZ-FQEVSTJZSA-N 413.457 1.358 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N(C)C 1507540353 DPRABGCNMNSMKM-MRXNPFEDSA-N 405.524 1.249 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507559265 PSIOECDLYMCXHA-JOCHJYFZSA-N 423.521 1.902 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CCOC)C(=O)C1 1507580099 SDYVMWOHIMHPQI-UHFFFAOYSA-N 411.462 1.382 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1507606204 DJEQKIVZBTYBLY-SFHVURJKSA-N 406.533 1.286 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(=O)C1CCC1 1507621286 PWRIBNVTSXAHRT-UHFFFAOYSA-N 405.506 1.892 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507631279 NSDLWDAUWSCEMX-PVPMGCCUSA-N 410.565 1.083 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507631539 QNACTFKOGASXBG-AEFFLSMTSA-N 416.551 1.240 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507633294 FOUOOOQINYZDIT-MRXNPFEDSA-N 423.583 1.266 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1507690379 RTLXDTIWPPJIJT-SFHVURJKSA-N 407.584 1.762 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507755687 BYXIWZYXXFDKGJ-MSOLQXFVSA-N 407.584 1.728 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1507842710 CLIANDLBHMVAPJ-SJORKVTESA-N 418.542 1.707 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1507844439 JXVKDGAYSFBQPV-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1507869655 XADSZIFHEIZFCL-UHFFFAOYSA-N 416.960 1.468 30 10 HDEE C=CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1507955160 CTPVCNFXJFGUKK-KRWDZBQOSA-N 424.505 1.013 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N1CCOCC1 1509004904 UAUVMOIMXSSQAI-GOSISDBHSA-N 424.553 1.715 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN(C(C)=O)C1 1513873178 VJGOIJIVWSNOKS-HNNXBMFYSA-N 409.494 1.634 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2csc(CC)n2)CCOC1 1516234497 YHNGUJMHXFCEEE-DNVCBOLYSA-N 418.523 1.726 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1518779417 YEFOKANHXKBZHD-PBHICJAKSA-N 405.430 1.579 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1520030725 AVYAADAWKVHPRM-SFHVURJKSA-N 403.442 1.348 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)cc(OC)c1OC 1521185177 HFDMWBLIGWAPSZ-UONOGXRCSA-N 400.435 1.865 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCC4(C3)OCCO4)CC2)cc1 1537136025 XWDQAGRJFMLACF-KRWDZBQOSA-N 419.503 1.371 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1539046684 YBDSGSGWBSRVSD-UHFFFAOYSA-N 400.527 1.765 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1539086534 IACQRDNHALXFDN-LEWJYISDSA-N 417.510 1.765 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539226404 XJWMQHHFMLHHSL-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1539518429 ZPLHITWIKNTDFG-HNNXBMFYSA-N 410.565 1.306 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CC2CCS(=O)(=O)CC2)CC1 1539885044 UYGNTPVNHUAOLJ-UHFFFAOYSA-N 402.524 1.962 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ncccn2)CC1 1540027190 RKSUMBDJGGCCKF-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1540063785 BUSSJYVBLWXQEG-IBGZPJMESA-N 420.539 1.666 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(c2nccs2)CC1 1540871992 ZFGYVUXFGARFGB-HNNXBMFYSA-N 402.524 1.925 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540876132 INPMDVWIIRFENU-FOIQADDNSA-N 407.515 1.236 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1541732932 IWQMUPAKYMVHFT-UTKZUKDTSA-N 419.526 1.743 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nnn(C)n1 1541798196 DCIIFMXNZIEQLO-ZDUSSCGKSA-N 403.454 1.645 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1541802141 LFJSMJBMYTXULZ-CYBMUJFWSA-N 415.498 1.906 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1545877440 CGHKQMXCVZXGNL-FQEVSTJZSA-N 421.521 1.801 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 1546201462 CXPHSHKOCXPNRP-UHFFFAOYSA-N 419.524 1.958 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN(C(=O)OC)C2)s1 1546242192 RLAHRTZHFHRMGT-LBPRGKRZSA-N 401.510 1.102 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1552417661 RQLKHDWAJQJERZ-WRONEBCDSA-N 412.519 1.444 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)OCCCO3)s1 1556764022 VSMIYQWSPRMZJE-UHFFFAOYSA-N 400.522 1.511 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)NCC3(C#N)CCC3)CS(=O)(=O)[C@H]2C1 1557066254 MBRCVXAUIMXTKR-ZNMIVQPWSA-N 411.524 1.467 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CCN(CCC#N)CC3)CCC2)C1 1557980679 JHIJVAHICAQFKJ-QFIPXVFZSA-N 420.554 1.977 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(Br)n2CC(=O)Nc1ccc(C#N)cc1 1559453901 FSDLZKGJOFIVQL-UHFFFAOYSA-N 403.196 1.108 30 10 HDEE C[C@@H]1Cc2n[nH]cc2CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1560143549 FAISZTOMBQKWPF-IIBYNOLFSA-N 410.497 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)N2CCCC2)C(C)C)s1 1570713606 VEEQVKYELLUTRE-KRWDZBQOSA-N 413.565 1.518 30 10 HDEE C=CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H](C)COC 1584372442 SSTRPNKXNQPMPZ-SFHVURJKSA-N 409.552 1.351 30 10 HDEE C#C[C@H](NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)c1ccc(Br)cc1 1584708483 PTBVCBAQVVIDDA-ZDUSSCGKSA-N 423.292 1.384 30 10 HDEE C=CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1585015852 NLAZOUUSHZHTFR-SFHVURJKSA-N 413.430 1.946 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCO[C@](C)(C#N)C3)c2)C[C@@H](C)O1 1585431290 BMJYCGCRNJNNKP-SPYBWZPUSA-N 407.492 1.239 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(I)ccc1-n1cnnn1 1587392205 KFBRLIBUZYHNNG-LLVKDONJSA-N 411.203 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(O)CCN(C(C)C)CC1 1587562247 MZASLKRHHSXYFG-ROUUACIJSA-N 407.559 1.695 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1587568685 RNWFLWAZCWZTRF-UTKZUKDTSA-N 419.526 1.026 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1587632175 JHFOVLXBRQXWOC-FUHWJXTLSA-N 417.535 1.956 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588045978 VDEUZFHBZQFHRJ-GDBMZVCRSA-N 405.549 1.718 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588054305 NEPABIUZKKXLAS-MSOLQXFVSA-N 424.567 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1588265747 GOGSMYQOTQHXOW-OXJNMPFZSA-N 419.551 1.646 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588434327 XVMNANDFXQMCMV-DYESRHJHSA-N 401.511 1.588 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1588645924 FGKPLSHQFZUHCQ-IAGOWNOFSA-N 422.551 1.083 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2nccnc2C)CC1 1588733365 QZGLCHHSGSWCFU-UHFFFAOYSA-N 424.553 1.293 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1594943108 KMWGNLOYJDIPQF-IBGZPJMESA-N 405.506 1.972 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C)C1 1595489927 KOQHJUNYPUOFRH-OAHLLOKOSA-N 407.478 1.863 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1595544340 HFWJFLRWFULDOX-SJLPKXTDSA-N 413.526 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1Nc1cnn(C)c1 1595812576 YDGQYRZRSJHOOE-UHFFFAOYSA-N 407.525 1.712 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1597054158 ZQQDNOYQORMOND-CQSZACIVSA-N 414.886 1.740 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)c1C#N 1609507431 MXGNPSKZGUCKHI-KBPBESRZSA-N 405.499 1.899 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1611319232 DHNDCQWNLLBTEP-MRXNPFEDSA-N 419.493 1.768 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC[C@@](O)(C(N)=O)c3ccccc3)nnc12 1613157255 AXQGOPZBSRODHV-NRFANRHFSA-N 421.482 1.695 30 10 HDEE C#CCn1ccc(CN(CC)C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)n1 1617667849 IIPHCBMOXIERLY-KRWDZBQOSA-N 402.495 1.891 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCCOC1 1619657388 WLBAJUXTNJUKRD-MRXNPFEDSA-N 413.478 1.956 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1=CCCOC1 1620018301 BZWPRRYWZVHVJI-LPHOPBHVSA-N 416.526 1.525 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1625679344 CPCJASXJMMLZAM-ZDUSSCGKSA-N 407.312 1.282 30 10 HDEE C[C@@H](CC(=O)Nc1cncnc1-n1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 1627894518 FPHOAUMNYAMFIB-LBPRGKRZSA-N 411.447 1.118 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1629170555 SOHARXHXRKCECF-QGZVFWFLSA-N 424.457 1.678 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 1629400349 ITYLMNNCFMVJCY-USXIJHARSA-N 405.520 1.560 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C(=O)OC 1629617285 LPTBXLWSIPOKBN-MRXNPFEDSA-N 414.430 1.047 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1631964094 IGBGLQVPYBHPMD-IBGZPJMESA-N 401.492 1.794 30 10 HDEE N#Cc1csc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 1633764492 VGZQIEMROVDHAI-DLBZAZTESA-N 410.503 1.413 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nc(O)n[nH]3)C2)cc1 1634039719 LEIIZLPJOVMHPY-AWEZNQCLSA-N 403.464 1.608 30 10 HDEE C=CCN(C)CCN(CC)C(=O)Cn1nc(Br)c(Br)n1 1634645516 ALCQJPNQYIQEBG-UHFFFAOYSA-N 409.126 1.769 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635471820 PLEPBIUJZNNYFN-APWZRJJASA-N 421.563 1.689 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1637576239 XEEBXDZBLOIDOP-IAQYHMDHSA-N 403.382 1.549 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)c1 1637728359 PGBSBTZPCZLNCZ-DZZUKKPASA-N 422.425 1.724 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4nc(C)cc(O)n4)C3)cc2C1=O 1638200125 SDYVQZMFUMMHPO-AWEZNQCLSA-N 407.430 1.281 30 10 HDEE C=CCCC[C@H](NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1)C(=O)OC 1638395139 NPPIWLBMMHVBSB-HNNXBMFYSA-N 402.900 1.975 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)on2)c1 1638536860 DLQCOYFSCPOSFG-UHFFFAOYSA-N 412.431 1.083 30 10 HDEE CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1639241127 DJXIRVMRFDLFEW-UHFFFAOYSA-N 424.523 1.552 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C)[C@H](CO)C2)n(Cc2ccc(F)cc2)c1C 1644091166 VTUWFFLEOCYRLV-IBGZPJMESA-N 413.497 1.711 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1cccc(C(C)=O)c1)C1CCN(C)CC1 1645259084 GMYRMJGINVCKRU-UHFFFAOYSA-N 405.520 1.114 30 10 HDEE Cc1nn(C)c(N2CCN(CC3(O)CCC(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1645315024 QRDWCZGBOVFXML-UHFFFAOYSA-N 417.554 1.985 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)Nc3ccc(Br)c(C#N)c3)cnc21 1645446024 HKKZAGUHXPOQIJ-UHFFFAOYSA-N 400.192 1.921 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1646576304 OZXRCVMZWJIONW-SJLPKXTDSA-N 405.520 1.088 30 10 HDEE COC(=O)CC1(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCCC1 1648291565 KWCPIAOYVFFUTB-UHFFFAOYSA-N 407.492 1.650 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCn2ncc(I)c2C1 1654885279 KPVBKQXMDIRSCU-LLVKDONJSA-N 401.252 1.311 30 10 HDEE CCOc1cccnc1N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 1655592354 GLBYGOBELLHBOW-LJQANCHMSA-N 414.554 1.295 30 10 HDEE COC(=O)Cc1csc(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)n1 1655732460 BDMUJHSJQJFHDT-MRXNPFEDSA-N 400.460 1.742 30 10 HDEE C#CC1(O)CN(C(=O)NCc2ccnc(N3CCN(c4ccc(F)cc4)CC3)c2)C1 1665637861 SCSDGXQLFRPSGM-UHFFFAOYSA-N 409.465 1.437 30 10 HDEE CCCN(C1CCN(Cc2ccccc2)CC1)S(=O)(=O)N1CCO[C@@H](C#N)C1 1666696728 AYQVQEUNUUZBLU-FQEVSTJZSA-N 406.552 1.832 30 10 HDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 1670762279 DMCVLPXRDOZTKD-BXUZGUMPSA-N 423.413 1.776 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCOCC1 1674403596 VGPZRORRACAIHH-LJQANCHMSA-N 407.536 1.945 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675134417 QTVZVDOUGRIQMQ-SAJDGTNDSA-N 416.547 1.334 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1682021248 CJRRCZKASPHHQI-QGZVFWFLSA-N 415.494 1.825 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(C)C 1682897018 MVKCESRNKIRGTG-INIZCTEOSA-N 407.492 1.132 30 10 HDEE C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1684118287 UJQBGYFAYWPTCG-TWKWOARYSA-N 402.520 1.866 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)NCC2(C#N)CCC2)C1 1686829157 ZNHUDEKKKOYOBN-AWEZNQCLSA-N 414.528 1.404 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1687592924 DUFMUAZRNQXNTI-UHFFFAOYSA-N 415.556 1.614 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(=O)NC)C1 1689887081 OMRQYNLNSHMRHU-OAQYLSRUSA-N 412.494 1.772 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1689949701 OWQJKEAIXPQFTO-OAQYLSRUSA-N 415.494 1.107 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690023756 FHTUARGUMUEHLV-JOCHJYFZSA-N 403.530 1.918 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1-n1cccn1 1690043309 WXAZFBPTFLVPDN-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1690045562 NDBMVFFWIGDUAK-OAHLLOKOSA-N 410.503 1.184 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1sc(C)nc1C 1690102609 QEMIHJTXQWFKFI-HNNXBMFYSA-N 402.524 1.631 30 10 HDEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690477032 XQYJFFHHVRJAGP-MRXNPFEDSA-N 410.478 1.067 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690530525 QAAPOSVBPCRTSG-IBGZPJMESA-N 411.554 1.829 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl)C1CC1 1690545009 HUPAKXPJHLTEFC-CQSZACIVSA-N 401.920 1.518 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690663946 IOQPDPROMAMQLL-MSOLQXFVSA-N 424.505 1.744 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)CC2CCCCC2)CC1 1690671882 BGBPHALNSPKEPM-UHFFFAOYSA-N 402.543 1.762 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCOC[C@@H]1CCOC1 1693510568 KSYOCRVYDZXUPM-IBGZPJMESA-N 411.510 1.623 30 10 HDEE CC[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1693981356 GFEIPBKRRKFCOC-HUUCEWRRSA-N 414.601 1.909 30 10 HDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1694820351 RZEOJSPZERPJAO-IVCWUWDKSA-N 424.509 1.830 30 10 HDEE CCn1cc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1695779264 LWAGNTSPKJRTIX-FMQUCBEESA-N 424.509 1.610 30 10 HDEE CO[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1697669583 JIMGRTMYECNJQW-ROAZCBAYSA-N 402.499 1.789 30 10 HDEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1698002943 FCZUXRUOAZBXAC-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCC 1705580636 MCOIVWDENIDLRF-KRWDZBQOSA-N 408.506 1.953 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](OC)C(C)C)CC1 1705648285 PYSAGSZFQOTLIV-MSOLQXFVSA-N 403.527 1.419 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1705695056 VANDSJHYUJUMCN-QXSJWSMHSA-N 410.544 1.608 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2C)CC1 1705781045 OCKHUGPQULMIAG-CYBMUJFWSA-N 407.544 1.381 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1705825205 MQQORABBRYZZGJ-INIZCTEOSA-N 404.515 1.210 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)(F)F 1707653270 GUNGRQORMVBWKJ-CYBMUJFWSA-N 408.384 1.661 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1CCN1CCOC(C)(C)C1 1712454010 GIFXUEDFVGJNFZ-SFHVURJKSA-N 420.558 1.997 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H](C)N2CCOCC2)c1 1722307212 KCYCGNSSSIEDAH-KRWDZBQOSA-N 410.522 1.617 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1722349539 RFGIQDMGAMOTDY-UHFFFAOYSA-N 402.476 1.568 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1 1722397868 VVALZGBWJBJYLA-GOSISDBHSA-N 418.563 1.992 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1722416081 VGBFQVBZDUKZQX-UHFFFAOYSA-N 420.473 1.867 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1722533685 CYVOSFHDYBACHE-QGZVFWFLSA-N 411.510 1.919 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1722538790 WOBLMHGPKBJJDI-MDKPJZGXSA-N 419.526 1.454 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)[C@@H]1CC 1722695118 TVGBONZRYBTFFY-SFHVURJKSA-N 419.489 1.510 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1722727735 QJHMCGFMLGUYFA-IBGZPJMESA-N 409.556 1.499 30 10 HDEE CCSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1729282615 QVFPTGWEDKJHBY-IUODEOHRSA-N 404.537 1.473 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1729761810 AGSOFMODWRGSFZ-DLBZAZTESA-N 422.489 1.731 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729833012 GUPIKDCNGOEOGR-CABCVRRESA-N 407.482 1.685 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCCn1cc(CO)nn1 1730257449 HRRDDGADUPPYFB-HNNXBMFYSA-N 410.482 1.724 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1740533449 ROCPZRVCNDPWHH-QWHCGFSZSA-N 410.569 1.608 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740795571 XXBAXNSUVITKEJ-KZNAEPCWSA-N 423.583 1.446 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2N(C)C)CC1 1740818569 NNKFVQKDKOUOMV-HNNXBMFYSA-N 419.555 1.554 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)N1CCOCC1)C1CC1 1740912900 WLSAMMNEWDCRAG-IBGZPJMESA-N 416.570 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740954770 GKEXVFALDKPMQK-QZTJIDSGSA-N 419.489 1.366 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740956529 UPAAWDAPRBHAPK-QZTJIDSGSA-N 415.469 1.771 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)C1 1740981761 XBPHLQIEYDTZCX-CABCVRRESA-N 404.515 1.173 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCCCC1=O 1742836930 IMPXAIBXPHKZMZ-UHFFFAOYSA-N 422.537 1.973 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1743253681 PQNOIMYVGNWPFH-UDJKBAMHSA-N 408.462 1.697 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1747597463 YVLQUALSACMEJI-UHFFFAOYSA-N 407.478 1.946 30 10 HDEE COC1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748484985 OCJOQAQSIHXIFD-ROAZCBAYSA-N 416.482 1.271 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN(C)S(=O)(=O)CC 1748677013 AUTDIBOQAZVNJF-MRXNPFEDSA-N 404.540 1.393 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1748730271 HTBHVLGQBMOGDF-UHFFFAOYSA-N 400.527 1.811 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1748731108 ULVURNKRQPYXGL-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCCCC1=O 1748798443 IFWJJVWVPPLZSH-UHFFFAOYSA-N 414.535 1.742 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccc(OC)cc2)C1 1749668999 BILIOALFEUJEEY-SJLPKXTDSA-N 424.505 1.534 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1749754016 DKBPYRLFRLANFQ-MRXNPFEDSA-N 414.535 1.884 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1752323209 GDVBOXPSEUMFFS-ZJYNUGOYSA-N 423.477 1.482 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1760123679 KCFYHRUHDWWYBY-MRXNPFEDSA-N 405.524 1.481 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1760131154 OYJXCLYQFYSWFE-CVEARBPZSA-N 420.543 1.125 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760139526 GHZZEAIFSQTOIF-KRWDZBQOSA-N 405.506 1.987 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1760195155 XOBIVNLPWPIHRH-MRXNPFEDSA-N 414.535 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1760218571 JKKAJEIJUVJSHO-SFHVURJKSA-N 418.563 1.992 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(C)cc(C)cc2C)CC1 1760260163 MVOQQDRIQJWZQF-HXUWFJFHSA-N 406.534 1.958 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC[C@@H]2CC)CC1 1760260564 XNJNIMDIHJVAEZ-OALUTQOASA-N 413.570 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)[C@H](C)CCC)CC1 1760270545 QYJABRZRRZSMQJ-MRXNPFEDSA-N 402.543 1.359 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760359397 MMQAKXBWNVSPIX-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1760359398 MMQAKXBWNVSPIX-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760502232 SFYKKXIPMGPSOR-QGZVFWFLSA-N 415.519 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CC(C)C)C1 1760548773 OXPYAZZRPHRVIC-MRXNPFEDSA-N 411.572 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760552096 BQOJRQQYIBOZTE-IRXDYDNUSA-N 420.583 1.803 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@]2(CCOC2)C1 1760557789 WHHJEZATZJNFNN-FQEVSTJZSA-N 424.567 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC1 1760783178 PLFKGNOKXRTGOH-CVEARBPZSA-N 418.498 1.725 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC=CO1 1761221799 SZBUWTBKJFRSMR-INIZCTEOSA-N 423.477 1.644 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CC(N)=O)CC2)COCCO1 1761567800 MFZAXSUFOKSQLY-JOCHJYFZSA-N 424.505 1.714 30 10 HDEE CCOCc1nnc(N2CCS[C@@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766447261 ZZONTVVIDCTOEA-DNZUHHBVSA-N 420.539 1.673 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1767871570 RAOBDMXUDIJOIU-HTAPYJJXSA-N 422.489 1.684 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1771535262 GLPVRMGZRWZCBD-INIZCTEOSA-N 400.508 1.439 30 10 HDEE C[C@H](C(=O)NCC#CCN1CCCCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1851192757 FMIHTHRSOOCKKV-CQSZACIVSA-N 417.453 1.868 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2c(C(F)(F)F)cnc(OC)c2Cl)NC1=O 1851671738 XKNKGDLFBIKISS-UHFFFAOYSA-N 404.732 1.697 30 10 HDEE CN1CCN(C(=O)[C@@H](Cc2ccc(C#N)cc2)NS(=O)(=O)c2ccccc2)CC1 1851735033 HUISXUVQTFCNBC-HXUWFJFHSA-N 412.515 1.222 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cccn4cc(C(F)(F)F)nc34)CC2)n1 1851870188 ZXLQBFMBHYFTQL-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE Cn1[nH]c(=NC(=O)c2ccc(C#N)cn2)nc1N1CCN(c2ccc(F)cc2)CC1 1852030903 UNMRUVPQSZTOGP-UHFFFAOYSA-N 406.425 1.222 30 10 HDEE C=C[C@@H](CC(=O)OC(C)(C)C)OC(=O)[C@@H](N1CCS(=O)(=O)CC1)C(C)(C)C 1852085927 VEZTYYVKTJXYCD-GOEBONIOSA-N 403.541 1.961 30 10 HDEE CN1CCN(c2nccc(=NC(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)[nH]2)CC1 1852163205 CHXLPFOQIOSUCU-SFHVURJKSA-N 413.485 1.953 30 10 HDEE Cc1ccc(N2CCC(CNC(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)nn1 1853355583 PIKPFAKHKDAGHV-UHFFFAOYSA-N 404.478 1.963 30 10 HDEE COc1ccc(Br)c(S(=O)(=O)NC(C)=NOCC2OCCO2)c1 1853412448 HXDMEGOUXUPXJI-UHFFFAOYSA-N 409.258 1.459 30 10 HDEE Cc1cccc(C(=O)N2CCCN(C(=O)CCON=C(N)c3cccn3C)CC2)c1 1853547328 GHYUYZQPUCHMHP-UHFFFAOYSA-N 411.506 1.735 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@@H]3COCCO3)C(=O)C23CCCC3)cc1 1853616797 BMQNGGRSUPNXNK-IBGZPJMESA-N 413.474 1.336 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853949218 ZVBCRINFSUNLLQ-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4cccnc4)C(=O)C3)C2)cc1 1854214525 LWHPFNNYJLFESB-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE C[C@H]1CN(CCn2nccn2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1855244878 RULDJRNVMOCMQQ-HNNXBMFYSA-N 401.430 1.874 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC[C@H]4CCCO4)C(=O)C3)C2)s1 1856327024 PHSGZHFCGDJHRU-DLBZAZTESA-N 416.547 1.824 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4cnccn4)C3)C2=O)c1 1856456638 QGGURKMNSHVCTB-IEBWSBKVSA-N 405.458 1.880 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)Cc2cccnc2Cl)CO1 1856510846 DYUZHVIEKJTTEQ-CQSZACIVSA-N 407.835 1.697 30 10 HDEE CON(C)[C@@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)c1ccc(Cl)cc1 1856899064 IISLKNHSFYQYNA-QGZVFWFLSA-N 400.870 1.883 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2cccc(C)c2)C1)[C@H]1CCN(C)C1=O 1857044858 AWIFXZVBDXSFTL-ICSRJNTNSA-N 413.518 1.858 30 10 HDEE CN(Cc1cnn(C)c1)[C@@H]1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1857275612 JOYFJLMNVPOIPT-WOJBJXKFSA-N 406.490 1.239 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2snnc2CCC)C1)[C@@H]1CCN(C)C1=O 1857276484 BVNZJAOHUQETAO-DZGCQCFKSA-N 405.524 1.198 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1857394435 VYZJXMKWJHNUJI-HRAATJIYSA-N 400.454 1.439 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)Nc3ccc(C#N)cc3)C2)CC1 1858385349 SWOIERDPZQVADC-MRXNPFEDSA-N 404.492 1.017 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(O)c(O)c1 1862626470 CEZITZFFEDIRQQ-XTZNXHDOSA-N 413.382 1.786 30 10 HDEE Cc1cc(C(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)nn1-c1ccccc1F 1867172815 JOWPNDVYAUSMDD-GOSISDBHSA-N 407.405 1.921 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCN(C)C)ncnc21 1875229343 VWHPAGQALHHOCB-UHFFFAOYSA-N 413.526 1.285 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(COc3cccnc3C#N)C2)c1 1892071171 FJGSGMYYVNHTDX-UHFFFAOYSA-N 417.443 1.448 30 10 HDEE C#CCNC(=O)CCNC(=O)C[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1988008647 WUDDXMYVNSZKHE-GOSISDBHSA-N 417.506 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@]12COCCN(C(=O)C#CBr)C2 2006267220 RERYJHQXKGLVSA-INIZCTEOSA-N 403.273 1.207 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC#CBr)S(=O)(=O)C(C)(C)C1 2021162277 FAWNKAZRJUDJNC-NSHDSACASA-N 423.329 1.271 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@](F)(CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174772792 LHIFPIBISHBEGT-WJYNOGRTSA-N 405.492 1.622 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@](F)(CNS(=O)(=O)CC2(C#N)CCC2)C1 2182451528 UAZSYEZDBLWDMC-QGZVFWFLSA-N 405.492 1.575 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2184353892 QGHGMIYIZTUCLX-HUUCEWRRSA-N 400.545 1.996 30 10 HDEE CO[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195327824 ODNHTUWWRQZDQX-CHWSQXEVSA-N 404.529 1.926 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC(N2CC(NC(=O)OC(C)(C)C)C2)CC1 2233398675 ZCVOVZIXJMZMHC-UHFFFAOYSA-N 400.545 1.539 30 10 HDEE CCS(=O)(=O)CNC(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2233880259 VTAFSJGORVOWBE-UHFFFAOYSA-N 402.347 1.581 30 10 HDEE CCS(=O)(=O)CNC(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2241134310 PMJJNSGASCVTCQ-UHFFFAOYSA-N 403.697 1.548 30 10 HDEE C=CCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243427041 PJRLBYGOAGLMMP-UHFFFAOYSA-N 418.328 1.491 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245255924 XTILNUUKKGCQSP-CMDGGOBGSA-N 409.336 1.747 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2247845947 XTJVYBKJTFGPDU-ZIAGYGMSSA-N 422.287 1.289 30 10 HDEE CC(C)(C)OC(=O)NCC1(CO)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247933032 SODHMAMYIKDOJC-UHFFFAOYSA-N 422.331 1.747 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@@H]1CCC[C@H]1C#N)NC(=O)OCc1ccccc1 2258152472 DUXXMDHBKRIBMH-XHSDSOJGSA-N 409.464 1.066 30 10 HDEE CC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)N(C)C 2282313117 HEAACLOZXKUEDC-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282319837 ZVEFMLZSBBVZFS-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCC[C@@H]3CO)c2)OC1(C)C 2282333834 UAHHNLIELLYHIM-CHWSQXEVSA-N 401.359 1.734 30 10 HDEE CN1CC[C@@](C)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335675 SRHKZGGCKWGCET-KRWDZBQOSA-N 400.375 1.667 30 10 HDEE CCC[C@@](C)(CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282491880 MNLQOQCJOZWUGU-INIZCTEOSA-N 404.363 1.413 30 10 HDEE C[C@@H]1NCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282499379 CKELAGROAPTLNU-STQMWFEESA-N 400.375 1.559 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@@](C)(O)CO3)ccc2Cl)OC1(C)C 2282502446 LIBRVXHXUQRHLI-MRXNPFEDSA-N 403.693 1.326 30 10 HDEE CC[C@]1(O)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282504530 QETNPTZHPUHJIO-INIZCTEOSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@H](CO)C3)sc2Cl)OC1(C)C 2282613530 LXENGTGLGIHXRK-NSHDSACASA-N 401.721 1.782 30 10 HDEE CN(C)C[C@](C)(O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616266 ZAVNMFRWXXYFPB-QGZVFWFLSA-N 402.753 1.743 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3CN(S(C)(=O)=O)C3)sc2Cl)OC1(C)C 2282620597 HEYHQNCKPVBANY-UHFFFAOYSA-N 420.749 1.074 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@]3(CO)CCCO3)c2Cl)OC1(C)C 2282662564 CJZIKKROUZKNRB-KRWDZBQOSA-N 401.721 1.972 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3[C@@H]4COC[C@H]34)cc2Cl)OC1(C)C 2282831441 KHORRLUQQCALKY-RTCCRHLQSA-N 419.761 1.871 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN=S(C)(C)=O 2282834488 VIDNSRZVCYNNKT-UHFFFAOYSA-N 422.403 1.362 30 10 HDEE C[C@@H]1CCS[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854909 XHOAGBDZHXCLRT-YPMHNXCESA-N 401.363 1.139 30 10 HDEE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866027 CCVIBEMRYBNQCR-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE CC1(C)CC[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N1 2282870599 VDNCHSLYDNGMRZ-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284400174 SKQVQRUCGPXSHO-GFCCVEGCSA-N 401.677 1.557 30 10 HDEE Cc1ccc(S(=O)(=O)NS(=O)(=O)C(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2284413801 NTKSLWRQDDKEPM-UHFFFAOYSA-N 403.331 1.311 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@]4(CN)C3)cc2Cl)OC1(C)C 2288265874 CEQSPOHXQMMFHC-QFYYESIMSA-N 418.777 1.670 30 10 HDEE COc1cccc(C(=O)C=C(O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 2297341557 LZRBSHPJLNXOGA-UHFFFAOYSA-N 418.427 1.783 30 10 HDEE CC1(C)OB(c2cc(=NCCn3cc(Br)nn3)[nH]cc2F)OC1(C)C 2345744191 YLVPLMXVSPRHQY-UHFFFAOYSA-N 412.072 1.408 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CN(C)C(=O)OC(C)(C)C 2365201445 ISSZKLWGVSUOLS-HNAYVOBHSA-N 404.573 1.799 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365202524 FJZRVBHNZNVPAM-RBUKOAKNSA-N 401.525 1.828 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2365204112 XAIFXZJKHQCPNI-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2365209068 FHZPTMMPBPROFG-LSDHHAIUSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(COC)NC(=O)OC(C)(C)C 2367806584 LPSDTYOPFINYJK-MAUKXSAKSA-N 402.557 1.865 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813197 AOSBNUSZJPOARD-YZVOILCLSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367817008 JPMOJTQDVZTQRR-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367820607 RPLSKOHODWWVAG-LSDHHAIUSA-N 402.557 1.599 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2380428878 WBRBVJZLILDMMJ-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCCN(c3ccccc3C#N)CC2)C1 46086715 QORPZNSDECMUII-NRFANRHFSA-N 413.566 1.543 30 10 HDEE C=CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 49445244 IVQVZAOXXSCQIY-UHFFFAOYSA-N 408.520 1.762 30 10 HDEE CCCCN/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2sc(=O)[nH]c2C)cc1 71539865 BPCGNPAGCRUFEX-UHFFFAOYSA-N 412.493 1.990 30 10 HDEE CC(C)N1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)c(F)c1 302024569 JTSBVXJPLGUJLW-IRXDYDNUSA-N 403.433 1.870 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 429299834 GUSKWKJOUOMOLH-ONIAQPFYSA-N 400.479 1.924 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H]1CN1CCOCC1 430214793 CQTBVKQMYWTVGQ-QGZVFWFLSA-N 400.479 1.607 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2noc3c2CCCCC3)CC1 435819424 QORPMWZBZQORTE-UHFFFAOYSA-N 414.487 1.962 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4cc(C)nn4C)C3)cc2C1=O 436279817 KMPHSVOLZWEDNC-MRXNPFEDSA-N 407.474 1.909 30 10 HDEE C=C(C)COc1cccc(NC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c1 441671921 YWXXRGWHEVLIDZ-UHFFFAOYSA-N 403.479 1.676 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 443133386 MYAYLQXAVXINLU-OAHLLOKOSA-N 400.416 1.940 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1 461301411 PCRVKNUFKMBTDU-QFBILLFUSA-N 401.430 2.001 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCc1nnc2ccccn12 465282198 ISQXBCXILWVXFK-HNNXBMFYSA-N 405.466 1.244 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 483095312 ZWVXQCQQOCQQAU-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Br)cc(OC)c2)CC1 500082066 FGQHUYUSAHJHDL-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(C2CC2)CC1 508885288 OEKVOBXHRHYZFI-UHFFFAOYSA-N 416.551 1.666 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c(OC)c1 511073671 QFWPOYWIFZQKAD-MSOLQXFVSA-N 412.552 1.519 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 522109988 LUECJMNWOJFNSF-UHFFFAOYSA-N 424.522 1.993 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 523691519 CBZMXNUSIBMEQF-LJQANCHMSA-N 413.499 1.801 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 533884227 FAGKOVOXALKNTQ-KRWDZBQOSA-N 411.527 1.507 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 538118728 KGOAKMGDRJKLSC-OALUTQOASA-N 402.543 1.103 30 10 HDEE CO[C@@H]1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540344863 WQXSLMFKBUBFOS-IAGOWNOFSA-N 406.508 1.389 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CCO1 546881612 BCOHWDMDRTURCY-QGZVFWFLSA-N 421.505 1.605 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 555267400 YLIXPAOZKKGGOG-KRWDZBQOSA-N 423.539 1.991 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 556877236 PAGYVVXFXMONRD-UHFFFAOYSA-N 418.501 1.762 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](CSCCc2ccccc2)C(=O)O)cc1C#N 559205215 WESBCQCIZREFHG-KRWDZBQOSA-N 405.501 1.969 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(CN2CCOCC2)cn1 570014508 QSHVRDFVNAFHPS-UHFFFAOYSA-N 403.446 1.927 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3nccs3)C(F)(F)F)CC2)o1 575141873 HHEFROHQLXLLED-CYBMUJFWSA-N 414.413 1.853 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](C)C(=O)OC(C)C)nc1C 586304607 PWNSZDOGNJXUQU-QYOLQKOISA-N 402.494 1.822 30 10 HDEE Cc1cccc(C(=O)N2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c1 586864114 LBNIBMSOCVHORE-UHFFFAOYSA-N 422.460 1.997 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cccc(C#N)n2)CC1 612819616 ZSQPGPPNYATCCB-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@](C)(CO)COC 613534727 SDQHNFYJMAMDNM-MRXNPFEDSA-N 401.257 1.612 30 10 HDEE C[C@H](C(=O)Nc1ccccc1C#N)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456490 DZWULAXZRHTGPM-OAHLLOKOSA-N 413.503 1.355 30 10 HDEE CCc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)cc1 727416014 CMMVBVIAJHNUGH-UHFFFAOYSA-N 405.479 1.836 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741448817 GNVJTVSPQLTETF-KRWDZBQOSA-N 417.535 1.594 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(NS(C)(=O)=O)c(F)c2)cc1C#N 746681183 XHFSLIGLWNSNSY-UHFFFAOYSA-N 413.452 1.556 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 748815426 MVRZIICQEWRJBT-VQTJNVASSA-N 418.582 1.875 30 10 HDEE COC(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 749385846 RQSKZIYDGRODNZ-SFHVURJKSA-N 415.471 1.536 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)c1 749920160 FPGDZOHDLJQONB-UHFFFAOYSA-N 414.409 1.623 30 10 HDEE CN1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)CC1=O 756118761 GVJUHYXKUFTUGB-CAPFRKAQSA-N 407.496 1.543 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 763167049 ZVJBTXKEDZMGSB-WMZOPIPTSA-N 420.922 1.995 30 10 HDEE C#C[C@@H](C)N(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 767259367 RWACTKKWHGPIEF-GFCCVEGCSA-N 415.309 1.564 30 10 HDEE C#CCN(C(=O)Cc1cc(OC)ccc1Br)[C@H]1CCS(=O)(=O)C1 769142917 HUYQKXMOTBNPCJ-ZDUSSCGKSA-N 400.294 1.649 30 10 HDEE CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 778611606 LTKZDGJZRXHQEP-AWEZNQCLSA-N 421.295 1.985 30 10 HDEE Cn1nnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 782885375 SPRYTHJSPZZKCQ-CYBMUJFWSA-N 403.443 1.150 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)[C@@H]2C 784696840 IPSCXOYLKJRUMK-CYBMUJFWSA-N 416.507 1.434 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@](C)(O)CO)cc1 797617354 UWZTXWRRFDFDEN-RWZYYMRUSA-N 412.512 1.144 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)C1=O 798545383 ADJOBHGQLXABPT-KRWDZBQOSA-N 420.473 1.699 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 804707655 CSYWWBPCEFVTQZ-ULQDDVLXSA-N 409.527 1.847 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@@H]2CC[C@H](C#N)C2)CC1 815064105 ANZVDOKUHRTFEH-JKSUJKDBSA-N 411.549 1.397 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3nc(C)cc(C)c3C#N)cc2S1(=O)=O 1131018207 GKQRWMGLAPOZIH-UHFFFAOYSA-N 414.443 1.613 30 10 HDEE C[C@H](C(=O)Nc1nc2n(c1C#N)CCOC2)c1ccc(S(=O)(=O)N(C)C)cc1 1135006078 OIJUBYVIOGFZMG-LBPRGKRZSA-N 403.464 1.277 30 10 HDEE CCn1c(S)nnc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1136657775 CKPLTRVKQVZFQY-UHFFFAOYSA-N 421.324 1.973 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 1139870118 YWHBNTGUXZIBST-NRFANRHFSA-N 402.495 1.429 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCS(=O)(=O)C3CC3)C2)C1 1142256063 ZCJFGWNMAMAPKP-SHYRYGCCSA-N 411.524 1.467 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1B1OC(C)(C)C(C)(C)O1 1142770509 AFOWCLLVUSYMDF-ROUUACIJSA-N 400.328 1.887 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 1152967864 SOUNFGKWBOZFAR-UHFFFAOYSA-N 424.498 1.036 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc3c4c([nH]c23)CCCC4)CC1 1152967870 TWOSIMMCHXIIMT-UHFFFAOYSA-N 400.504 1.272 30 10 HDEE N#C[C@@]1(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CCc2ccccc2C1 1154541768 SDIXYDRTURSAMX-WMZHIEFXSA-N 422.460 1.296 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)C3)O2)s1 1155706901 LYEDBSRGPDQSEB-GLJUWKHASA-N 414.549 1.598 30 10 HDEE COC[C@@H]1CCCN1NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1167324711 AOARSRONWDJMBB-GOEBONIOSA-N 408.524 1.282 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]2c2ncc(-c3cccc(OC)c3)[nH]2)CC1 1167819960 PGGVAYWVXNLMGK-OAQYLSRUSA-N 407.518 2.000 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOc4cc(F)c(F)cc43)CC2)o1 1171683902 GKAVVNIKUYRMTI-UHFFFAOYSA-N 403.389 1.681 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3ccccc3)C2)nc1 1178460853 UGRRDLMGVIRWCH-QGZVFWFLSA-N 413.503 1.725 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2CC#CCN2C(=O)c3ccccc3C2=O)cn1 1193963320 MUEUVKRHTADTSL-SONOPUAISA-N 410.499 1.308 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 1197869323 VWOGMQOXUOFVNE-AWEZNQCLSA-N 403.460 1.920 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnn(C)c2C(F)(F)F)c1 1208431445 OYTDWNCSDIZKIB-UHFFFAOYSA-N 400.382 1.679 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1)C(=O)OC 1212123617 RQSHADSFSOFUGX-HNNXBMFYSA-N 417.443 1.186 30 10 HDEE Cc1ccc(C[C@@H](CO)CNC(=O)NCCn2cnc(C#N)n2)cc1Br 1228007064 ANJWOHNTLMVWRM-CQSZACIVSA-N 421.299 1.371 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3CCN(c4ccccc4F)C3)C2)c(=O)nc1O 1229236486 ATCWLIOUMBVXIW-ZDUSSCGKSA-N 412.425 1.052 30 10 HDEE CCN(CCC#N)C(=O)CNCC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1269751858 OMKAKJFFFVPMKL-KKEPMVJESA-N 402.539 1.390 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(=O)OC)C1 1286339686 OBQLSBSSVKVIBN-INIZCTEOSA-N 416.503 1.761 30 10 HDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286383305 LYFFWXBQSIXSAK-MRXNPFEDSA-N 420.922 1.750 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1288234425 XHHPMGNCHQTFGD-SJORKVTESA-N 407.478 1.056 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC(C)(C)C2)n1 1289987552 AHXKASXXDRWJBR-QGZVFWFLSA-N 411.510 1.488 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1291993097 DQBGNRMJWNEESK-GJZGRUSLSA-N 424.571 1.617 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cnn(CC#N)c2)C1=O 1292205264 BGOZZKMMERKKRA-NRFANRHFSA-N 402.414 1.966 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1297799738 PVOKCRGCBIAKLO-AWEZNQCLSA-N 402.463 1.809 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1300322055 PSZFZROQEVIGLS-OAHLLOKOSA-N 402.499 1.337 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCCO)c(OC)c1 1300536430 XKZZDAWFYDONSG-IBGZPJMESA-N 424.501 1.673 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2)CC1 1300681499 ROUHWRYJARQHJA-UHFFFAOYSA-N 412.925 1.971 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(CCC)CC2)CC1 1300681675 YLOXHSDPEHJIHU-UHFFFAOYSA-N 415.586 1.294 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC(=O)N(C)C)CC1 1300690584 NQWFTIPUMNOMII-UHFFFAOYSA-N 416.913 1.451 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N2CCCCCC2)CC1 1300695793 JUHXILFMJQWINP-UHFFFAOYSA-N 423.565 1.832 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(=O)NC 1300889649 DCOTYEOCPFSHCC-YLJYHZDGSA-N 415.542 1.693 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1300989474 BTKQXHBWSYITPV-SQNIBIBYSA-N 424.567 1.778 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CS(=O)(=O)NC)C3)n[nH]2)c1C 1301957890 LLKHXRIZJGLYFD-HNNXBMFYSA-N 420.539 1.477 30 10 HDEE COCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1302235971 ZOGQKCAGEYGJGG-XLIONFOSSA-N 417.441 1.896 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 1302877451 LEOMENMJKDWGDF-GOEBONIOSA-N 408.252 1.206 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCN2CCCCC2=O)c1 1302981967 CDZZHYBAXQXGNX-GOSISDBHSA-N 421.505 1.531 30 10 HDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)c1 1304602840 DUPRZNMLSLFZHZ-NRFANRHFSA-N 404.478 1.724 30 10 HDEE N#CC1(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCOCC1 1305274004 CQXIOVIHXGNLGX-UHFFFAOYSA-N 420.263 1.872 30 10 HDEE COc1cc(C)c([C@@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1308100424 OUCJOBZOQLJTGU-SIFCLUCFSA-N 421.519 1.060 30 10 HDEE C#CCOc1ccc(CNC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1312736666 OZAAUQOILCPQNU-UHFFFAOYSA-N 400.523 1.294 30 10 HDEE CC1CCN(C(=O)C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)CC1 1318973362 ABOFUVMBHAFQNX-VXPUYCOJSA-N 402.495 1.400 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1320349795 FONTZTVWITZLKY-SFHVURJKSA-N 407.536 1.105 30 10 HDEE COC(=O)[C@H](OC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)cc1 1348618252 SOYXURUAGKEWHG-LJQANCHMSA-N 417.439 1.324 30 10 HDEE CN(C)CCOc1ccc(/C=C\C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1353197741 FZVDUAOFFZQXSJ-YVMONPNESA-N 410.478 1.710 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2cccn2)cc1)[C@@H]1CCS(=O)(=O)C1 1358963441 IBRCIPPSGODFDY-LJQANCHMSA-N 424.530 1.701 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359049645 TXAZOLBOOCXELD-CQSZACIVSA-N 402.528 1.300 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(CS(C)(=O)=O)CC2)CC1 1359167913 ZHGXBKSFENHECB-UHFFFAOYSA-N 407.540 1.382 30 10 HDEE CCc1c(C(=O)NCc2cc(F)c(C#N)c(F)c2)cnc2c1c(=O)n(C)c(=O)n2C 1448187586 OWDDIIVMGJSLQT-UHFFFAOYSA-N 413.384 1.274 30 10 HDEE CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 1454122454 STDYNKOQHPNURO-OAQYLSRUSA-N 405.502 1.220 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@@H]3C[C@@H]3C#N)CC2)cc1OC 1456390948 JKZLDXDWIYAMIQ-GDBMZVCRSA-N 407.492 1.380 30 10 HDEE N#CCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1463602761 YSLHLANIYPTHGC-UHFFFAOYSA-N 414.443 1.808 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1463616479 FFSUKQVWRDUAJO-NSHDSACASA-N 403.298 1.939 30 10 HDEE COC(=O)CCCCCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1464137279 SXGLYTUFVZKMHF-CQSZACIVSA-N 409.508 1.743 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1467532416 SUVSURCUHPURLF-KKSFZXQISA-N 420.510 1.778 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1467877789 XLFPWZNPERIQGA-UHFFFAOYSA-N 420.512 1.030 30 10 HDEE C#C[C@](C)(CC)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1468173716 RESIYRASHINGNZ-HXUWFJFHSA-N 402.520 1.987 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@H]1CCN(O)C1=O 1468372099 BDFIJDHYOHDUGH-LSDHHAIUSA-N 423.267 1.084 30 10 HDEE C#C[C@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1468478305 MCOBHLJRVXYHHV-HXOBKFHXSA-N 403.438 1.276 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)C1 1471336007 HXDTZNKJMVZOSN-IBGZPJMESA-N 405.587 1.210 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1472159940 UFYOSRFYFOAMKX-BBRMVZONSA-N 409.508 1.818 30 10 HDEE C#CC(C)(C)N(C)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1473378847 RDSMXDAKTOCDHD-UHFFFAOYSA-N 404.536 1.921 30 10 HDEE C=CCN(C(=O)Nc1ccc(OC)cc1S(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1476615410 YKSFJYSOWCYQPG-LBPRGKRZSA-N 402.494 1.306 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1479205740 PZIJGMCYZCGMKA-QGZVFWFLSA-N 402.495 1.950 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCO[C@@H]3CCOC3)CC2)c1C#N 1492728232 XDRSDTUCDVENTK-QGZVFWFLSA-N 414.514 1.022 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1493263957 BIPRWPHSJAIQGN-FGTMMUONSA-N 417.558 1.513 30 10 HDEE CCN(C)C(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1501423922 CIGQYBKJFKLDIX-UHFFFAOYSA-N 410.526 1.548 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)N2CCOCC2)C1 1505314358 CEAQNZINKSXVDD-LJQANCHMSA-N 418.860 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1507519561 SLAQAVGYKFQPAA-KKSFZXQISA-N 403.527 1.837 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1507551877 IKZWLFDLADGLCW-UHFFFAOYSA-N 412.538 1.766 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)cc1 1507648746 RFVZWXFTVBGSKB-UHFFFAOYSA-N 401.474 1.490 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2Cc2nncn2C)CC1 1507736350 JCAWSBCJUBSKNP-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507844445 KAZSCFGZVOYJLF-GOSISDBHSA-N 420.558 1.323 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507848625 MATLHIGAZLFRID-OXJNMPFZSA-N 421.498 1.164 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507861524 NWPFLDNADGMDME-UHFFFAOYSA-N 401.858 1.613 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCN(C(C)C)CC1 1507984015 YINBBAWHAVSXII-UHFFFAOYSA-N 416.526 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)OC)CC1 1508136907 JAWQIAOBHJKWQL-UHFFFAOYSA-N 421.523 1.274 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC1 1508237351 PVUXFLSQWQUXGM-LJQANCHMSA-N 410.478 1.291 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nncn1C 1513313630 DJUHBLNYFXMKMP-UHFFFAOYSA-N 421.509 1.881 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)ccc1-n1cncn1 1525869999 IDNRVWPZWDXLEZ-ZDUSSCGKSA-N 408.853 1.933 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC[S@@](=O)CC(F)(F)F 1528438944 BCJSNLPBGBJXIK-HHHXNRCGSA-N 401.414 1.578 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc1 1528511366 ULSSYPRJGHWVAM-UHFFFAOYSA-N 413.381 1.617 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)c(OC)c1 1538582393 CNHBUVVOOZTOMC-HNNXBMFYSA-N 414.458 1.921 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCCC1(C)C 1539238537 ZMDYJRROKXABGT-YADHBBJMSA-N 400.523 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NC)c1 1539284871 USNGOWPXSPRYFU-UHFFFAOYSA-N 418.501 1.385 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1nncn1CC 1539337097 KKBYSWXFKODOFF-UHFFFAOYSA-N 419.489 1.988 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N(C)CC 1539416454 OMNZHDJPQWLZNA-GOSISDBHSA-N 413.478 1.355 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCN(CC)CC2)CC1 1539446059 PGGWUULWRLOLRV-LJQANCHMSA-N 413.570 1.106 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(C)COCCO2)CC1 1539454127 XCEKARJBLANRIH-QFIPXVFZSA-N 413.497 1.569 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539513894 SFWSDZCYKLQDIX-SFHVURJKSA-N 420.564 1.060 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1539701454 HNLUINYTDBKLQY-MRXNPFEDSA-N 401.515 1.533 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1539875697 ZLUOXTVWRNHMIF-DOXZYTNZSA-N 411.572 1.842 30 10 HDEE CC(=O)Nc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1541013371 HHCDDHPFVQFQJI-LJQANCHMSA-N 407.413 1.579 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1552711176 YXYWNLKVQSSBLE-IBGZPJMESA-N 407.522 1.970 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOc4ncccc4C3)C2=O)cc1 1556111651 FOJDJCBCLONLLB-KRWDZBQOSA-N 405.414 1.579 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1557187903 PXIVTQSRHOHKII-FGZHOGPDSA-N 406.442 1.484 30 10 HDEE C#CCN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@@H]3CCCO3)C2)CC1 1557840682 PYQUSPAAGIGAMF-QYZOEREBSA-N 405.539 1.959 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1558066856 YNWHFQQHDITLME-ZBYFWHNXSA-N 418.494 1.807 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1 1558643744 FXXLIKXQORXHJB-CKFHNAJUSA-N 411.524 1.276 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](CO)(C(F)(F)F)C2)CC1 1560130036 JISKKYSFYBQTFL-WMLDXEAASA-N 416.469 1.704 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1 1564999954 QUBPTFBZHNSEDL-QRTARXTBSA-N 422.304 1.703 30 10 HDEE C[C@]1(C2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)NC(=O)NC1=O 1565167364 VQMGCOYJRRWXPW-JOCHJYFZSA-N 424.505 1.547 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)c1 1587213085 KWMBWVNFUZIELX-MAUKXSAKSA-N 407.488 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1587550019 HYADCUYGCAKOAD-KRWDZBQOSA-N 400.527 1.765 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1588059274 LCIIAXVMOPUGPD-BOSXTWCSSA-N 406.552 1.408 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C)N1CCCCC1 1588637293 CMUGOEDFDLHYQO-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2F)CC1 1588876530 CGXABFKLVTTWKC-ICSRJNTNSA-N 413.497 1.945 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1588913919 UBENCCBHONXRBK-SJLPKXTDSA-N 410.522 1.790 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)C1 1595791065 WSHPVLPNFZPCNW-HNNXBMFYSA-N 405.458 1.044 30 10 HDEE CC(C)(C)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1596919939 ZXOOGGPHGXMKPH-OAHLLOKOSA-N 412.494 1.990 30 10 HDEE CN(C)C(=O)/C=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1596924518 CJTVCRCXTJSDMB-ZGAUPBLRSA-N 406.508 1.863 30 10 HDEE Cc1cc(O)nc(N2CCC(NC(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)n1 1597292443 GFOSPQPLEJKOMH-UHFFFAOYSA-N 403.446 1.947 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C(=O)OC)O[C@H](C)C3)ccc2c1=O 1611592053 ABLJMZBRELEZBS-ABAIWWIYSA-N 403.460 1.274 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1611621148 GQUQWVPLSDQLAY-DLBZAZTESA-N 414.485 1.781 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1613343369 OMRZVOVSYDGNNR-ARFHVFGLSA-N 412.485 1.876 30 10 HDEE CCn1cnnc1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1615743519 ZWJXLVLLTDHTHR-BEFAXECRSA-N 402.503 1.792 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1615814847 PSWLIYRLKMWRHW-KURKYZTESA-N 406.531 1.605 30 10 HDEE CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1615865296 HXRWYVPPENJNKL-GJZGRUSLSA-N 418.523 1.224 30 10 HDEE Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618171650 GOLZNLCHHKYESM-YZVOILCLSA-N 421.544 1.452 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)CCS2(=O)=O 1618581728 RUXIUUBAFDYRSE-NGEICVOHSA-N 420.487 1.147 30 10 HDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)ccc1OC(C)C 1619083300 GIAYTTAHFXKONJ-MRXNPFEDSA-N 413.478 1.995 30 10 HDEE N#CC1CCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)CC1 1620354984 NCSNLWOLVUROOH-UHFFFAOYSA-N 411.445 1.813 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1620544535 WKRVXYZCHABSOE-UHFFFAOYSA-N 415.475 1.697 30 10 HDEE CC[C@@H](CO)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1623377047 JFFOHMUIDRYUGT-RKQJOMJXSA-N 420.554 1.688 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1OC 1623580999 RFCRRDZYEDTOGU-FZFLATATSA-N 415.446 1.060 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1623799912 ZGLYXCCHAUWQMR-UXLLHSPISA-N 405.476 1.435 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1cncc(Cl)c1 1623895393 PUCAOEANCIWROM-UHFFFAOYSA-N 422.894 1.749 30 10 HDEE Cc1nc(SC(F)F)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626656410 XXJYLNVYWFHBDV-XPTSAGLGSA-N 407.489 1.706 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN([C@H](C)CC(=O)OC)CC3)n[nH]2)c1C 1629615993 OQRBRMSRZSHGHD-CQSZACIVSA-N 414.510 1.785 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1630184321 CXZDIBVSKTXOPE-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1631479138 AUYMWJNEUZJJSF-HNNXBMFYSA-N 411.499 1.375 30 10 HDEE COC(=O)[C@@H](C)Oc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1F 1633090755 QLJXYBZMDDFMGB-IEBXDZTQSA-N 405.382 1.621 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)ccc1F 1633151485 XXMLTWIRSOKQPW-LLVKDONJSA-N 420.331 1.578 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1634188627 BLOQSCCCYTZMMP-UHFFFAOYSA-N 417.487 1.653 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 1635422191 JLBPTBVGXPSTGC-UHFFFAOYSA-N 404.517 1.649 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)nn1 1636330353 BLYLZXMLPDVZEA-UHFFFAOYSA-N 417.901 1.583 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@]1(O)C(=O)Nc2ccccc21 1637033914 BZPXJHQPMDUIHM-HRAATJIYSA-N 401.463 1.639 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1 1637154892 SOURTOPJYFRCBJ-DNVCBOLYSA-N 402.472 1.623 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)cc1 1637365816 QZVGTMJIKHJGFH-LJQANCHMSA-N 401.463 1.524 30 10 HDEE Cc1ccccc1-n1ccnc1SCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637514287 RYLWNGBKRKFVSR-UHFFFAOYSA-N 422.470 1.490 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1639840238 KJVLYSTVYAGRLR-NSHDSACASA-N 412.817 1.528 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1 1640413398 USGUBRQNRZCWKN-OXQOHEQNSA-N 406.504 1.956 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H]2CC[C@@H](N(C)C)C[C@H]2C1 1640537086 GRFZELUOMZNYQX-LEUOFYLZSA-N 404.536 1.414 30 10 HDEE C#CCC1(O)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1644428565 IPELQSTYOWUPKT-UHFFFAOYSA-N 404.532 1.781 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@H](C#N)C3)cc2)C[C@@H](C)O1 1644439589 GLOFDXAHNYLEBA-BRWVUGGUSA-N 420.535 1.659 30 10 HDEE CC[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1645007857 OVRJAPWSAZRRKQ-UKRRQHHQSA-N 409.508 1.709 30 10 HDEE N#CCOc1ccc(CC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1646533348 BPAAOOOWOLHRON-OAHLLOKOSA-N 415.247 1.969 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)CCc3nc(O)c(C)c(O)n3)n[nH]2)c1C 1646842882 SXRIFAGJVDMEJB-UHFFFAOYSA-N 411.466 1.900 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](CCCN(C)C)C2)s1 1647760541 YODISSLVAPWMCM-HNNXBMFYSA-N 415.581 1.324 30 10 HDEE Cn1cc(CC2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 1647916510 DDDWMPWEPQMBNN-SFHVURJKSA-N 406.446 1.198 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155637 LCJOJUIRVZJNRT-MMMWYMCRSA-N 411.524 1.419 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2nnc3c(=O)[nH]ccn23)c1 1648199955 HAXLVIDXMCDOTM-INIZCTEOSA-N 407.478 1.802 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCCSC[C@H]2c2cnn(C)c2)CC1 1648449530 LIMUVBLXFPKMJM-MOPGFXCFSA-N 404.584 1.592 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2c(F)cc(O)cc2F)cc1 1652543197 WSUNWVAZIGFIMB-UHFFFAOYSA-N 409.414 1.835 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 1654691650 YEJJCCJDJQFYNT-GOSISDBHSA-N 419.547 1.912 30 10 HDEE CO[C@@]1(CO)CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1655009852 GJJRNOVSNXLTOY-CTNGQTDRSA-N 404.486 1.008 30 10 HDEE N#C[C@]12CN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]1CS(=O)(=O)C2 1656344785 ZEFLUDLZZURPAW-UXEPBGEESA-N 414.314 1.969 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OC 1665548350 QHOWWCKEYDWHRC-HNNXBMFYSA-N 410.492 1.547 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)cc1 1667956097 IVUZVMYQOLYFLI-WMLDXEAASA-N 406.508 1.626 30 10 HDEE C=CCN1CCC(NC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)CC1 1678390197 GBHXHKIBJHNKMN-AWEZNQCLSA-N 408.300 1.657 30 10 HDEE C=CCN1CCC(NC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CC1 1678390670 KJPRWYRJQBRZEO-BBRMVZONSA-N 409.474 1.788 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1686889899 NFNCXLARICVCFQ-SFHVURJKSA-N 406.508 1.089 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1690046303 AKMSNXGYXONCCO-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1690059552 RZWHOXDQSXZTEQ-OCCSQVGLSA-N 410.569 1.916 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1690059839 ZBUKURXFRRCTBA-CYBMUJFWSA-N 409.487 1.544 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(C)CN(C)C2=O)CC1 1690119721 PTHGKLYNVWKXBF-JOCHJYFZSA-N 408.506 1.187 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690179197 QGKQMVURLVHBHK-UHFFFAOYSA-N 421.530 1.287 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2oncc2C1 1690236562 OLDJRRHUOJYGNT-YOEHRIQHSA-N 400.483 1.948 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1690507859 YUNWEMHYZOOKRN-WBVHZDCISA-N 401.467 1.993 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1690609182 GIDLOHBYSBMDJV-HNNXBMFYSA-N 406.508 1.533 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(N)=O)cc1 1690620394 ZUZSGLMKFKRFAK-UHFFFAOYSA-N 410.482 1.856 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCC1 1690671540 YJNXCYUYOWLFNL-HNNXBMFYSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(Cc1ccc(-n2cncn2)cc1)C1CC1 1690671998 FNUSOSLXBCMZDX-UHFFFAOYSA-N 406.494 1.892 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cs1 1693351813 HIKSQZSCELOEQC-IFXJQAMLSA-N 417.514 1.991 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)Br 1698060499 BMCVLQCILDWSAB-JTQLQIEISA-N 421.246 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1705477352 MRNOVXGDCGYKQL-XHSDSOJGSA-N 410.588 1.467 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1705531049 WTMQZFLAPNXOLC-UHFFFAOYSA-N 419.493 1.439 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1705583204 SDKBRVRBTPDGLO-UHFFFAOYSA-N 415.505 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)c1ccccc1 1705595324 OEDHISNERGUCOQ-UHFFFAOYSA-N 422.514 1.715 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705632724 ADHIVLRKZBJQOV-VQTJNVASSA-N 402.587 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705637148 LFXQHKJPKLDLHY-GOSISDBHSA-N 413.547 1.525 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CC1 1705639104 GGOHYDZMAOMFQY-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC=CCO2)CC1 1705648293 VGXVCRAPXFJHNI-QGZVFWFLSA-N 407.478 1.046 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1705717357 ILZGNLVYNGUOPT-DXQAYGFFSA-N 400.483 1.711 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705737976 GXJBTVSHHYBGNH-MSOLQXFVSA-N 412.494 1.791 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705824192 IXVKQYUBACNVNP-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1705833987 BFKPMNSWCWWMQG-ZDUSSCGKSA-N 411.503 1.844 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705896991 DCZQAFVRUSMHBV-JYJNAYRXSA-N 424.571 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2CCCO2)CC1 1705935726 BPFLWDOEQQXZJZ-QZTJIDSGSA-N 424.567 1.778 30 10 HDEE C[C@H]1COCCN1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC#N 1708264397 HNBMXDZXLPJYRW-ROUUACIJSA-N 422.537 1.976 30 10 HDEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1711001072 GLZGJUQUXZTNPY-RXVVDRJESA-N 423.546 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1722296682 UEGWBRDZDKTOCT-GXTWGEPZSA-N 416.532 1.691 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)N(C)C 1722303575 PQEGQOUQRNWZOV-AWEZNQCLSA-N 409.487 1.346 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722323140 RGKKZRXJMMACGA-LAUBAEHRSA-N 416.526 1.290 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1722387158 SQQOOAYZDQUQHV-UHFFFAOYSA-N 422.581 1.239 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCCN1CCC[C@@H]1CO 1722395644 MUJPRNFQJPTGRT-HXUWFJFHSA-N 408.550 1.983 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1722412672 NMCLIYDXBYUQFJ-MRXNPFEDSA-N 412.519 1.411 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1722425076 LIMUMJILTIFWDB-SSEXGKCCSA-N 424.530 1.748 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1722588037 ILQAWZBPJMEZBV-MRXNPFEDSA-N 423.583 1.887 30 10 HDEE Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1726390573 SVWCGQPTQXOFPJ-JENIJYKNSA-N 406.556 1.921 30 10 HDEE CCc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)no1 1727456040 FGHRCSBVJRYIBG-INIZCTEOSA-N 404.434 1.734 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1730844692 SXIRBAXMSRKKLI-GUXCAODWSA-N 417.489 1.903 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCOCC1 1730945473 FKNSDYOXKOJUKM-BXWFABGCSA-N 423.489 1.376 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(C)CCO[C@@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1740625449 FOIMZLJNNCHQRF-HQRMLTQVSA-N 406.552 1.672 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740716536 ZPTGLMCUIKVBFR-AWEZNQCLSA-N 410.569 1.304 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740791295 AOIHCMKTIHNNOK-GOSISDBHSA-N 414.510 1.694 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCCC2=O)CC1 1740946794 HNWMTUIUBXZNON-OAHLLOKOSA-N 407.540 1.348 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1744729332 XZJPHNSBEDVNAG-IKGGRYGDSA-N 407.478 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1OC 1748667120 NOBPPMMWEGBQJG-GRDNDAEWSA-N 401.467 1.515 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748825834 GPCZBGDENFGGIL-YVSFHVDLSA-N 407.540 1.165 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1748829720 IDUNJMDAYXYIDP-OAHLLOKOSA-N 419.482 1.179 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1 1748906194 QUMMAVIGMCAMCM-UHFFFAOYSA-N 411.510 1.232 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCc1nnc2n1CCCCC2 1748958553 AHEIQWMBSWYDOZ-UHFFFAOYSA-N 408.510 1.920 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1748990574 YSHHJYKRLSLOSL-PMACEKPBSA-N 402.587 1.904 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=C)Br)CC1 1748993600 DRGQHBOAUKEUBN-UHFFFAOYSA-N 401.312 1.928 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCC(=O)N(C)C)CC1 1748999004 FLWJQAIQQRLPDZ-UHFFFAOYSA-N 424.549 1.789 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2cnn(C)n2)CC1 1749008786 FWYZRDASBYMFIK-UHFFFAOYSA-N 421.509 1.000 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@@H](C)C1 1749214389 YCWNULAMSZJEFY-KKUMJFAQSA-N 417.601 1.811 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1749605859 FGZMLOBYYBTOAY-XOBRGWDASA-N 400.483 1.304 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1749630031 MOKJXLWWQHMQKR-IRXDYDNUSA-N 420.539 1.085 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC=C(Br)C1 1749677712 IOAAJMAJGSUKGT-UHFFFAOYSA-N 423.315 1.192 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)NC)C1 1749703675 MRGZKFGWHXEETO-INIZCTEOSA-N 405.524 1.584 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1750104849 MVGXQUNKPHWSIG-UHFFFAOYSA-N 416.482 1.799 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC[C@@H]1CCOC1 1750938185 XVXTVZTXCZTUAH-KRWDZBQOSA-N 418.542 1.990 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(C)(=O)=O)c1 1760127372 XLUDBPKSSIUNRP-UHFFFAOYSA-N 403.508 1.502 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OC(C)C)CCOC1 1760160126 ZKHUDDJWVIITKQ-JOCHJYFZSA-N 415.538 1.839 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1760188419 PCDZEKWQUGQOLI-INIZCTEOSA-N 418.523 1.497 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1760233888 QLDCJCFSJCIRQD-KRWDZBQOSA-N 416.547 1.915 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1760324569 LEDYYHNCVYJBIQ-GHTZIAJQSA-N 410.522 1.914 30 10 HDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760349353 ITCHPHAHGJCBBL-HXUWFJFHSA-N 415.498 1.093 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1760437893 QZOQGIVPXKQFAK-JOCHJYFZSA-N 421.505 1.860 30 10 HDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCC(=O)NC 1760440241 FERHAONHYOMOTA-UHFFFAOYSA-N 412.542 1.991 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)CC1 1760532977 KTFFOPMPQAFDBZ-QGZVFWFLSA-N 424.505 1.544 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1761360186 HPKGETLPFPSSTK-XJKSGUPXSA-N 405.466 1.801 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCSC1 1761492317 BUELGGGMSWUMKU-VBQJREDUSA-N 412.585 1.771 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCO[C@@H]1CCOC1 1764127530 OYPWXPYJZMJHDW-UZLBHIALSA-N 422.505 1.834 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCS(=O)(=O)CC 1764909152 HEBGBQIHZUMMOW-UHFFFAOYSA-N 420.514 1.613 30 10 HDEE CCn1cccc(Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@H](C#N)C2)c1=O 1765336939 AHXSTTMRAFMBBX-LJQANCHMSA-N 420.473 1.912 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1765921754 HCPQCJSDYSTMSU-OXQOHEQNSA-N 419.432 1.985 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1766690065 QNVGYUFDSFDKRR-ROUUACIJSA-N 406.531 1.607 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1769473841 HCIYPJOVOKPQDF-UHFFFAOYSA-N 411.466 1.230 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1770049524 CNKVTZMSCYMSPM-AEFFLSMTSA-N 406.531 1.605 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCCn2cnnn2)C1 1771530618 PKEMLNKULBXFLF-SFHVURJKSA-N 415.408 1.515 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1 1772791591 BEHOLLZHOBZCMF-CYBMUJFWSA-N 415.427 1.237 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 1850214623 QSVIIWWHFBXMBG-GOSISDBHSA-N 411.506 1.313 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCN(CCC#N)CC1 1850845088 KIDMZHJQNXHJNW-LBPRGKRZSA-N 402.879 1.204 30 10 HDEE Cn1ncc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1Br 1851772325 NHFJPBSNBZMDGC-UHFFFAOYSA-N 419.283 1.428 30 10 HDEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)c2ccc(CC#N)cn2)CC1 1852047944 IDIIVTORRJXIQM-UHFFFAOYSA-N 407.474 1.625 30 10 HDEE CN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)CC1=O 1853814660 DEVNXBDPDOFLHZ-IEBWSBKVSA-N 408.502 1.540 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2=O)ccn1 1853854777 YFWDJCGVIFTKKM-UHFFFAOYSA-N 424.482 1.505 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3cccnc3)C2=O)CC1 1854745795 DDACKZAMTYGPFG-LJQANCHMSA-N 404.474 1.692 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCCc4nc(C)c(C)c(C)c43)C2=O)CC1=O 1854819538 UMNRPLUFRSRWFY-IEBWSBKVSA-N 410.518 1.921 30 10 HDEE CCOc1ccc(OCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855121547 YORLLJQYMPDMRG-QGZVFWFLSA-N 400.479 1.123 30 10 HDEE Cc1cccn2c(=O)cc(CN3CCC([C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc12 1855250042 MRHFIRRWFRCXFE-KRWDZBQOSA-N 407.474 1.504 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1855428244 QOFYNNHGEMNXEU-CVEARBPZSA-N 408.499 1.233 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)CC2=O)c1 1855537060 BOIHZSHJKPWWFF-DLBZAZTESA-N 412.490 1.659 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855634792 WDHRPXUWORZEDC-OAHLLOKOSA-N 405.476 1.385 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(Cc3nc(CC)no3)c3ccccc32)CC1=O 1855775467 QYFOHUUTQRHQFW-AWEZNQCLSA-N 409.446 1.546 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807073 NMSIWDYXRGGIIH-CHWSQXEVSA-N 411.430 1.742 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nc(-c2cccnc2)no1 1855934356 WHUAJSMMZCMLNT-CQSZACIVSA-N 402.414 1.876 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2ccc(Cl)cc2)C1)C1CN(c2nccnc2C#N)C1 1856232161 LOPBEHVTQRHCBC-CQSZACIVSA-N 424.892 1.811 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccnc3)C(=O)C23CCCC3)cc1 1856296009 XCLHPYJAFJHMOK-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)n(C)n1 1856347593 PPGUIHSPEPYOMN-OAHLLOKOSA-N 412.519 1.221 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)C2=O)cc1 1856457557 ZOEUPKYICGDKQG-WOJBJXKFSA-N 423.494 1.848 30 10 HDEE COc1cccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1856791741 HVMBOPNTUPVFTI-QGZVFWFLSA-N 402.428 1.657 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CCC2=O)C1 1856959908 FKWPCMOXMJULSL-QZTJIDSGSA-N 404.511 1.856 30 10 HDEE CN(CC(=O)N1C[C@@H](CN2CCC3(CC2)C[C@@H]3C#N)CC1=O)C(=O)OC(C)(C)C 1857213603 QFAAWZDHUVWZLG-HZPDHXFCSA-N 404.511 1.854 30 10 HDEE Cn1ccc(CC(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)n1 1857243566 GLNBZZRCTGEFAO-MRXNPFEDSA-N 406.490 1.484 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCC[C@H](Oc4ncccn4)C3)C2=O)cc1 1857432441 FMEFKRZZNBDFSK-OALUTQOASA-N 405.458 1.562 30 10 HDEE CCc1cc(O)nc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2)n1 1859427977 DDYKAJJCLOVOHC-MRXNPFEDSA-N 419.489 1.630 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/N=c1ccc2nnc(C)n2[nH]1 1873794133 VJCTZBVFILIZNL-AWQFTUOYSA-N 409.406 1.586 30 10 HDEE C[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1CCN(C(=O)OC(C)(C)C)CC1 1880980159 NKMCLPFWDCJBIG-CYBMUJFWSA-N 403.435 1.682 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890872588 WFOZPLVQYVSUTB-PKOBYXMFSA-N 421.538 1.782 30 10 HDEE Cc1ccnc(N=c2ccc(=NCCNS(=O)(=O)c3cccc(C#N)c3)[nH][nH]2)c1 1891081428 QEQCSMBQQHJWMZ-UHFFFAOYSA-N 409.475 1.030 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2065516717 ALFXWQQIYGXIOK-LLVKDONJSA-N 414.304 1.543 30 10 HDEE C[C@@H](NS(=O)(=O)C[C@@H]1CCCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625948 DROZNRFYDFCJIK-NEPJUHHUSA-N 402.347 1.602 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@](C)(CN)C[C@H]2CCCS2(=O)=O)[C@@H](C#N)C1 2194924765 JAXJRVMDTSZMGM-DAYGRLMNSA-N 400.545 1.116 30 10 HDEE CO[C@H]1CC[C@@H]1CS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2239413443 USOILNDZIGNDFB-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243430281 OWEQLMIHJRCPQM-UHFFFAOYSA-N 407.320 1.290 30 10 HDEE Cn1cc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247838627 LDBXOADPVBBIQQ-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(CO)CCC3)cc2Cl)OC1(C)C 2267357900 CANFUSQHZGAIMK-UHFFFAOYSA-N 407.750 1.894 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3(CSC3)C2)OC1(C)C 2267466480 BACSZPTVEUARDB-UHFFFAOYSA-N 402.372 1.321 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC[C@@H](C)C1 2282328572 ZJMHJLZPUKVSRP-GFCCVEGCSA-N 400.375 1.586 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC=C(Cl)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282500986 QPVCKEBUBJJUBE-UHFFFAOYSA-N 401.725 1.545 30 10 HDEE C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282646753 SGCHZGHJVIAFKV-GXSJLCMTSA-N 419.761 1.864 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@H](CO)C3)c2)OC1(C)C 2282852321 NQQWKWIHPQKQBA-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N=[S@](C)(=O)CCN)ccc2Cl)OC1(C)C 2282871097 BIQWIIWHLUSCFN-RUZDIDTESA-N 422.765 1.384 30 10 HDEE COCC(COC)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282873816 QGQDWQPJZSBBKG-UHFFFAOYSA-N 405.347 1.128 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NOCCC(=O)O)OC1(C)C 2284398663 AHDZPRQYNYMGRG-UHFFFAOYSA-N 405.665 1.324 30 10 HDEE CC[C@@H](CCC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284402625 KGIRYRXNPVGWMO-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE CCN([C@H](C)CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284403402 POXOBZKEPHRIKZ-LLVKDONJSA-N 403.331 1.921 30 10 HDEE CCC[C@@H](C(=O)O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284405961 RSEMOPNMUSICJX-LBPRGKRZSA-N 403.331 1.921 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(SC)CN(C(=O)OC(C)(C)C)C1 2342058385 IVDNJROGJBSPNX-CQSZACIVSA-N 402.582 1.898 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172114 UJPGMKKRKCZLNZ-LIRRHRJNSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]2CC[C@H]21 2365201188 GGMXHNIKHLBWSI-NRTGNBEESA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2365210130 JJOPKHYHNLLSOD-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CCCN[C@H](C#CC1[C@H]2COC[C@H]12)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2367292006 WIYCDDOWXNECKJ-VQHPVUNQSA-N 400.541 1.188 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367787307 KOIABDUQQTWWLR-ZIAGYGMSSA-N 403.497 1.588 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C 2367793887 XOCBRFFZHFQRLY-OLZOCXBDSA-N 414.553 1.143 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 2367824397 LMUVOWSODSGXEL-QAPCUYQASA-N 402.557 1.553 30 10 HDEE Cn1nncc1S(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369905304 ZVMYYFKCBRRGKT-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CNC(=O)OC(C)(C)C)OC 2380178216 ACMASCSCLCNVFR-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)NCc2ccco2)n1N 21319785 XFQIIFMNAZIZOJ-AWQFTUOYSA-N 401.452 1.448 30 10 HDEE CCNC(=O)NC(=O)[C@H](C)Oc1c(N)cc(C#N)cc1I 43415322 FTNGCWCBISZTIN-ZETCQYMHSA-N 402.192 1.358 30 10 HDEE COCCNC(=O)CN1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)CC1 96956783 MRZQCILHZWRQDS-BQYQJAHWSA-N 423.517 1.475 30 10 HDEE O=C1C(=O)N(CCO)[C@@H](c2cccc([N+](=O)[O-])c2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102570936 WVCZFYCIMGZLDA-SCDSTIRESA-N 413.342 1.917 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1C 219945284 XIWXZHJSAOZEPO-WMZOPIPTSA-N 405.458 1.998 30 10 HDEE C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 435272290 XSMNEPDJQNPYNI-NARAOEGZSA-N 421.519 1.410 30 10 HDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC(Oc3ccc(F)cc3F)CC2)n1 444506390 KEWDDAHYTXJINV-UHFFFAOYSA-N 403.389 2.083 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)CC1 466003805 CGEJIGMMLKJQIY-QGZVFWFLSA-N 419.957 1.938 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2ccc(C#N)cc2)cc1 473946337 SOCFTNNPFBWDJZ-SFHVURJKSA-N 419.466 1.700 30 10 HDEE CN(C(=O)c1ccnc(C#N)c1)c1nc(CNC(=O)c2ccnc(C#N)c2)cs1 475780830 XIGFXCPONMHRHH-UHFFFAOYSA-N 403.427 1.883 30 10 HDEE COCCOc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481532272 INZQPGCRHXYWPG-ZDUSSCGKSA-N 404.448 1.284 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482673569 NDCMPELYEIPWFC-UHFFFAOYSA-N 418.544 1.992 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCNC(=O)c3ccccc3)C2=O)cc1 504714537 CYPXKRONZACDOA-GOSISDBHSA-N 419.441 1.309 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 505897413 FEVFMZYTHIBYAH-UHFFFAOYSA-N 411.487 1.721 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4nccc(C#N)c4[N+](=O)[O-])CC3)C2=O)n(C)n1 507917463 KAENTOAWAYFLPS-MRXNPFEDSA-N 424.465 1.221 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@@H](C#N)c3ccc(OC(F)(F)F)cc3)cnc21 531353633 WLHAZSSGGHFPBL-ZDUSSCGKSA-N 406.324 1.410 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 541761682 RESJHTJXEZHFLR-HNNXBMFYSA-N 402.538 1.467 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1=O 543976366 POBJSIIQVSLSKN-AWEZNQCLSA-N 407.883 1.415 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)OCCOCC)cc21 586315679 YSVZCLFMOLJVAB-MMEWPQADSA-N 423.487 1.498 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 603798523 MIUXMPQEPYRXGZ-KRWDZBQOSA-N 411.527 1.425 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 604178847 HNXGPBNNEOVPQE-OAQYLSRUSA-N 414.506 1.538 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccc(C#N)cc3F)cn2)C[C@@H](C)O1 610478773 JBJWXBXNCNLTNP-OKILXGFUSA-N 414.441 1.851 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 729334240 KTIOLHRTKMUDMR-AZUAARDMSA-N 416.543 1.805 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 732066654 VRXBVCYYTGNXPT-KJPDOMRESA-N 410.430 1.861 30 10 HDEE CN(C[C@@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732468158 DWMBCSMOHGSQKK-HYEKCJMVSA-N 421.498 1.411 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)S(=O)(=O)c1ccc(F)cc1 734291192 JOJOSFZCMLIDES-LBPRGKRZSA-N 410.448 1.673 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 741703951 PDNJDCNYWQLHIO-UHFFFAOYSA-N 408.418 1.558 30 10 HDEE C#CCN1C(=O)[C@]2(NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c2ccccc21 742440282 NZFXRIRTABTWAX-QFIPXVFZSA-N 414.425 1.828 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2ccc(F)cc2F)cc1O 748038995 FDLUEIAGNGVRGQ-ICFOKQHNSA-N 403.345 1.112 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1 751655266 CXYCZKDZNOYYKI-NVXWUHKLSA-N 404.536 1.783 30 10 HDEE CCn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 753067126 XFRSKSZRHLROHT-CYVLTUHYSA-N 411.509 1.517 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 758772124 PNURREMQRBIQOV-SJORKVTESA-N 419.526 1.789 30 10 HDEE N#Cc1cccc(N2CCN(CCC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)n1 760913859 YHQFYHVPIARRLT-UHFFFAOYSA-N 418.501 1.996 30 10 HDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 765146885 XZYRJGGGXACFJU-UHFFFAOYSA-N 423.498 1.169 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765898723 JPMXCXLOEWPUND-GUYCJALGSA-N 403.460 1.083 30 10 HDEE C#C[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)[C@H]1CCCO1 775334489 ZTCOFYFYYYESGB-UKRRQHHQSA-N 407.264 1.862 30 10 HDEE Cc1cc([C@@H](C#N)C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)nc(C)n1 777292216 GINPIXBFSAAOEG-GDBMZVCRSA-N 401.467 1.785 30 10 HDEE C[C@H](OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCC1 787782029 JEEAWPFBIULMGW-YCRPNKLZSA-N 415.446 1.566 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)n1 788694234 NAVDQIGDVMHNPV-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)n1 788926901 SQJCWXWIKZVPMW-FQEVSTJZSA-N 409.490 1.475 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)c1ccncc1)c1cc[nH]n1 789974998 MGYQCAXHQZCOQH-LJQANCHMSA-N 407.430 1.994 30 10 HDEE N#Cc1ccnc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 790003560 KOZXPKXVDMXIDR-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790245161 WZNHXVCFPXHQQG-LJQANCHMSA-N 415.556 1.872 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@@H](O)c1ccc(C#N)cc1 804742441 ACGBWXRRLXEJCW-KRWDZBQOSA-N 407.879 1.648 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCCSCC#N)[C@H](C)O)cc1C 805326277 BXZKWZHUYDHFTR-HOCLYGCPSA-N 400.522 1.521 30 10 HDEE CSC[C@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 809085309 USCCQKOMOAKZAF-OWCLPIDISA-N 424.519 1.526 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 809357722 GARSGUCFCACZFN-HXUWFJFHSA-N 405.458 1.653 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1 813980553 HPXRCDPDPAMJFE-OAHLLOKOSA-N 404.473 1.053 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3C)n2N)cn1 1084002742 RDUOACNUCWXANQ-UHFFFAOYSA-N 411.495 1.860 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2c(O)ccc3ccccc23)n1)Nc1nc[nH]n1 1084536535 CIXIRNBDHKGGPL-UHFFFAOYSA-N 409.435 1.958 30 10 HDEE CCOC(=O)C1=C(c2ccc(OC)cc2)[C@H](C#N)C(=N)N[C@H]1[C@@H](C#N)C(=O)OCC 1088645984 PYNCGHKUHCCZMK-DAYGRLMNSA-N 410.430 1.804 30 10 HDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1 1152009197 WFAYDLSHJCNVMY-ZREAOVPFSA-N 412.490 1.229 30 10 HDEE Cc1nc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)[nH]c1C 1155609394 DRTVTKUAVZFJDV-HNNXBMFYSA-N 415.519 1.971 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1CCN(C(=O)OCc2ccccc2)CC1 1156672823 YQCRXGHCYRCQEE-UHFFFAOYSA-N 402.539 1.907 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1158280994 OBIDYBOTLPTNPD-FOIQADDNSA-N 405.426 1.607 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)COC(=O)N2 1166815389 MDOJGFUHYISBQZ-UHFFFAOYSA-N 400.416 1.816 30 10 HDEE N#Cc1ccc(Br)cc1N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1187799619 TWHLBCWCMJLLMC-RYCVTPFZSA-N 412.309 1.944 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC[C@]4(CCOC4)O3)CC2)cc1 1192080050 FVPSZVWIZNFOEA-AZUAARDMSA-N 405.520 1.593 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)CC1 1201329014 KPOBTJZOUFJDIV-AWEZNQCLSA-N 418.469 1.726 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCc2cnc3c(Cl)cnn3c2)CC1 1251357304 JDOBDZCPZACVQR-UHFFFAOYSA-N 410.869 1.724 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)C2)nc1 1254496443 ALJHYBCBBVQVTD-CQSZACIVSA-N 409.450 1.308 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(-c2ccccn2)n1 1254723044 DSNZFFAFEXRYRQ-OAHLLOKOSA-N 415.461 1.621 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccnn1-c1ccccc1 1255556205 XJNQXRJRWMALGY-QGZVFWFLSA-N 416.489 1.997 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H](Oc3ncc(Br)cn3)C2)cc1 1258083744 WTXZXUSGDBPMLK-ZDUSSCGKSA-N 409.265 1.953 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](O)C1 1259115189 AWVHJRBNLYGYGA-KBPBESRZSA-N 415.899 1.860 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1286297420 BLYZUVOIRLSOHO-FUHWJXTLSA-N 424.530 1.872 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1286726776 IOQKCYILEQTKOT-QGZVFWFLSA-N 417.535 1.600 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Nc2ccccc2)C1 1286786008 MJKAHAUYRANJGP-MSOLQXFVSA-N 423.521 1.612 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1286832760 YRRYTRSGOLUVHP-UHFFFAOYSA-N 413.555 1.763 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1288312493 JLSHNRGHXCLJNQ-SFTDATJTSA-N 418.542 1.927 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cccc([N+](=O)[O-])c3N3CCOCC3)CC2)C1 1289362282 QICMKCQAVQKMDE-UHFFFAOYSA-N 401.419 1.909 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1289362772 VNYOCKRCMRXUAL-HNNXBMFYSA-N 421.519 1.844 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1294754121 BLIWWYLKWQAGGL-ZACQAIPSSA-N 408.572 1.650 30 10 HDEE CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1295209242 OAYBAKLRXBIPLO-UONOGXRCSA-N 405.480 1.308 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1298391085 HUBOWGKVTQPICJ-WZHFUWBISA-N 407.511 1.941 30 10 HDEE CCOC(=O)C[C@@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1298689278 KVYMBAWSNXWDOF-AWEZNQCLSA-N 410.268 1.187 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1300268482 QSJLVBZDQXJEEL-HNNXBMFYSA-N 414.485 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1300309795 VKIDTBJZOHSIIE-ZWOKBUDYSA-N 405.568 1.448 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1300320728 IVURMVYCKOKMFW-MRXNPFEDSA-N 422.489 1.469 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300458846 VKPQJVONQQEIKZ-INIZCTEOSA-N 414.510 1.844 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300495078 CLDNQNAZRLIRLF-HOTGVXAUSA-N 420.560 1.909 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1300495671 JHBSAQJRFAEPDC-DLBZAZTESA-N 410.540 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCN(C)C1 1300570207 ZNUHMIRUVSYSLU-HSZRJFAPSA-N 421.501 1.246 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCOC2)n1Cc1nnn(C)n1 1300648871 QCTZVEKQTFWTIW-INIZCTEOSA-N 410.457 1.523 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)c2ccccc2)CC1 1300681128 KQAMEVKSEHVHMZ-UHFFFAOYSA-N 421.549 1.406 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOCC(=C)C)CC1 1300685564 QHFNFIAUPUJUEV-JOCHJYFZSA-N 417.554 1.667 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@](C)(C(N)=O)C1 1300767103 QXASWVNLIFJFMA-SFHVURJKSA-N 404.565 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1300883907 GAUWEUVSMXZLGE-BXWFABGCSA-N 416.526 1.269 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(Cl)cn2)CC1 1301065574 GJVIMXOZUMDLHK-ZDUSSCGKSA-N 413.935 1.595 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1301411589 ZRTJPZXDDTXZCX-QGZVFWFLSA-N 415.494 1.599 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301477992 GKFYCHQXROVPAQ-UHFFFAOYSA-N 414.558 1.376 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@@H]2C)C1 1301555698 CYLGNXCBROQRFR-WNRNVDISSA-N 424.567 1.634 30 10 HDEE C=CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1301601920 JXPXZEZFSGULDV-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@H](CN2CCOCC2)C1 1301737219 MZZRRKGPRJZWJD-GOSISDBHSA-N 403.479 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1304935508 SPNQMNOTZVIZIT-OGLOHFSISA-N 418.494 1.905 30 10 HDEE C[C@@H](OCCCNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1308127741 HDXLSVRHEGZZIP-IMFGXOCKSA-N 405.520 1.141 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 1312939667 IJVGEYKZVQGBNI-OAHLLOKOSA-N 418.441 1.521 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)nc1 1316286125 ZBFPFNKJNJZNEX-KNBMTAEXSA-N 416.457 1.896 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 1349830540 KOFLMDGRUSXJBE-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1358904689 JOPGQMWOBDHZAB-JKSUJKDBSA-N 424.571 1.187 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1358965779 BACOSAIAOULFBO-MRXNPFEDSA-N 421.567 1.020 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358969090 GRCHWQXEUDGGBY-MRXNPFEDSA-N 415.519 1.156 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1359007858 YXQSMPPJJMNMMX-MRXNPFEDSA-N 421.505 1.774 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1359010542 SQDOKMLFCTYSEQ-CVEARBPZSA-N 409.556 1.192 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1359026137 LYZYKSBAAVAMLO-OAHLLOKOSA-N 423.564 1.155 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC2(C)COC2)n1 1359027703 SSGYTUBGEAOLCK-UHFFFAOYSA-N 422.493 1.254 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC(C)(C)N2CCOCC2)CC1 1359037562 ODCXYROIENEEDI-UHFFFAOYSA-N 414.598 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC=CCO2)CC1 1359040414 UCYDLSCQPNLRJA-OTWHNJEPSA-N 401.511 1.102 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359062660 OWCMCBMCLMXDFG-IBGZPJMESA-N 407.540 1.011 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1359230950 JXNJNKJGPLFROU-ZDUSSCGKSA-N 411.503 1.901 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1359281823 KDIXPBBNJNQQAY-HNAYVOBHSA-N 424.523 1.320 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1435068094 DMSJVMFSKNCCEH-GDBMZVCRSA-N 419.890 1.213 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1441248766 RHJLCKVNBASVAG-OAHLLOKOSA-N 416.482 1.543 30 10 HDEE CN(C)C(=O)Cn1ccc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1442842953 BLDCTAQWSUHZQX-UHFFFAOYSA-N 403.483 1.560 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc2nc(CCN3CCOCC3)[nH]c2c1 1442917098 CHXXFIJIAIWDBF-UHFFFAOYSA-N 406.446 1.971 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1444158300 KKHBXCYXIFPQFJ-GUYCJALGSA-N 408.501 1.104 30 10 HDEE N#Cc1cn(CCNC(=O)c2csc(Nc3cc(F)cc(F)c3)n2)c(=O)nc1O 1453840966 HENKNCWGEIROLV-UHFFFAOYSA-N 418.385 1.729 30 10 HDEE C#CCN(C(=O)c1cccc(C(=O)NC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1455812715 KXGIEIKXOVDDCI-UHFFFAOYSA-N 400.479 1.916 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)C3(C#N)CCSCC3)cc2)CC1 1456009991 UCEIWQLFCBKVGR-UHFFFAOYSA-N 415.563 1.872 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)CC1 1460227432 HPBIDSZXBSGDIU-WMZHIEFXSA-N 410.518 1.789 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)C[C@@H]2CCCN2CC)c1 1464696408 PWEBDFSSYDLPHL-FQEVSTJZSA-N 419.591 1.972 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H]2CC[C@H]1C2 1464920737 ASRUFWCLUULIQY-ADJUHXDCSA-N 403.479 1.777 30 10 HDEE C=C(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1468244915 NHOXYOHSTJXWID-UHFFFAOYSA-N 407.536 1.691 30 10 HDEE CC[C@H](COCC(F)(F)F)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1468350782 DGSROWYDRZDKRF-LLVKDONJSA-N 407.414 1.589 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H]([C@@H]2CCCO2)C1 1473820220 ZTPMNUJSBOLGLI-WCIQWLHISA-N 420.554 1.111 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1475461461 WQIMCLRZLQWJHX-SNVBAGLBSA-N 422.272 1.818 30 10 HDEE C#CCOCCNC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1478294078 IXFGUNZEZUEHOH-INIZCTEOSA-N 406.487 1.299 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOC2=O)cs1 1492675049 MCQYHNJVCOFLSH-GOSISDBHSA-N 419.486 1.918 30 10 HDEE Cc1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492820042 BJCDKSNIKOJCKM-HNENSFHCSA-N 400.483 1.508 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCC(F)(F)C(F)F 1499163847 AHANPRJIQFULIV-ZDUSSCGKSA-N 404.412 1.934 30 10 HDEE CC/C=C/Cn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1499817550 JSYGAVCQNAJCAH-AATRIKPKSA-N 418.509 1.942 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1504660694 UAXMMGZQRBTJSS-UHFFFAOYSA-N 407.434 1.278 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1505117131 UKEAPLXAGMHHBY-ROUUACIJSA-N 424.505 1.869 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 1505324997 QGKFDCJYZWBFJY-QGZVFWFLSA-N 405.524 1.657 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1507531736 CVISYMYFJKJHKV-INIZCTEOSA-N 414.510 1.576 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507536933 FROSRAABCWXAPS-KGLIPLIRSA-N 405.528 1.033 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1507616345 JJNKDTLLSSMORC-HNNXBMFYSA-N 423.564 1.293 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507644302 GSGSGYNFYUYDSD-SFHVURJKSA-N 404.474 1.569 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC1 1507677852 MMHKZRXDMJVNJB-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C#CCN(CC)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507692136 NYVXOHVHORWFCB-ZWKOTPCHSA-N 405.568 1.894 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1507841024 VJOVXXUHRXITFQ-INIZCTEOSA-N 412.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](C(=O)NC)C1 1508082801 XHDJESZTBYIHSV-OAHLLOKOSA-N 412.494 1.218 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cnn(C)n2)C1 1508108858 MWPQYQOTXLYTTM-KRWDZBQOSA-N 414.514 1.057 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(C)C)C1 1508140870 KCAUKHVHPBYSIO-HOTGVXAUSA-N 409.556 1.702 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1517472292 AOYLFQRVFLYDDJ-IERDGZPVSA-N 407.478 1.058 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CC1 1517517547 IFBOTRMVIWGPOJ-UHFFFAOYSA-N 424.505 1.321 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1519205585 DKZJGOQZUIBYMS-IBGZPJMESA-N 412.494 1.001 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)Cc3ccc(Br)cc3C#N)C2=O)n(C)n1 1533576407 XAPXMPPVHCOKIF-HNNXBMFYSA-N 416.279 1.827 30 10 HDEE COc1ncc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)cc1C#N 1538155045 SGOQBNUMQIKLIE-HNNXBMFYSA-N 406.398 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1539025129 DSBPUOKZDPPHFG-AWEZNQCLSA-N 416.551 1.890 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1539125482 MSLJMUFJIQWXGY-MRXNPFEDSA-N 419.576 1.982 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1539178108 DRPAZVKXIXZAAF-CQSZACIVSA-N 414.491 1.005 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)CN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539218570 AOXNIEDUVLLDQQ-QZTJIDSGSA-N 407.584 1.589 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1539369643 NSCXDBMYFGOAOH-QGZVFWFLSA-N 401.536 1.976 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(C)COC1 1539399795 SXOHIHBHNOAANN-UHFFFAOYSA-N 418.519 1.471 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(CC)CC)N(C)C)CC1 1539427392 DFGGMNVGRJEFRW-IBGZPJMESA-N 417.602 1.538 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1539736459 YNRUIAOVQBAMKL-UHFFFAOYSA-N 409.494 1.871 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1539887825 IRIWIYLHNRYSID-RTBURBONSA-N 416.570 1.869 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2C)C1 1540883750 DPFVDZGQCCRREX-OXQOHEQNSA-N 417.514 1.277 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 1544373152 WOYKJAIXYDMLFU-KXBFYZLASA-N 404.486 1.768 30 10 HDEE C=CC1(CC(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1545034667 ARDVMXKPLSKHKI-ZBFHGGJFSA-N 417.510 1.843 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1545826106 FVPIJNODBROCFL-ZDUSSCGKSA-N 415.502 1.146 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1555386759 OGGZNSVGAQKRMJ-MOPGFXCFSA-N 413.478 1.474 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCN2CCCCCC2=O)CCO1 1555992953 FLGOWKRVHQQBDC-QGZVFWFLSA-N 409.494 1.862 30 10 HDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](c1ccccc1)c1nc[nH]n1 1556949877 AXRWXVJJJMBZFQ-IBGZPJMESA-N 409.471 1.839 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 1559039394 VNRXDMJXMSEHSV-ZIAGYGMSSA-N 403.464 1.234 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc4c3OCCCO4)CC2)c1C#N 1561476189 FMWMRVVWCVHQFE-UHFFFAOYSA-N 417.491 1.272 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)[C@@H]1CCCO1 1563027810 BKDIQKMHIXKRNC-HKUYNNGSSA-N 421.519 1.572 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(C(F)(F)F)no2)s1 1567452438 HEQIHOCOQYOFOI-UHFFFAOYSA-N 410.399 1.473 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1569207739 RPUMKFPBRBPEGK-LEOABGAYSA-N 414.524 1.116 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)[C@@H]3CCCOC3)C2)C1 1570326154 AFBALPPKDURZMU-GZHDSUEZSA-N 407.511 1.677 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCC(=O)N=c3cc[nH]cc3)CC2=O)cc1Cl 1584708428 GGAPBQNWAICLJS-AWEZNQCLSA-N 411.849 1.526 30 10 HDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCOCC1 1585149021 QCEGFVXQQHMSMN-KRWDZBQOSA-N 422.503 1.061 30 10 HDEE COCC#CC(=O)N[C@H](CC(=O)OC)c1cccc(I)c1 1587573470 JJSQVTGFXHEYON-CYBMUJFWSA-N 401.200 1.661 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CCOC)c1 1587621493 VOFCYTXKBYSNFR-AWEZNQCLSA-N 411.466 1.355 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1587673059 KGIQVXDVEGYDNS-HNNXBMFYSA-N 407.478 1.910 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1588185311 DZXCJQAEDXLAAY-YADHBBJMSA-N 413.522 1.260 30 10 HDEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1588248868 PRJQHJFGXWDNTB-LJQANCHMSA-N 423.491 1.063 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccn(C)n1 1588698078 YSZLPQTXWNTQFQ-UHFFFAOYSA-N 405.462 1.597 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCn2ccnc2C)CC1 1588800981 UAUANHCAAMLSGO-UHFFFAOYSA-N 407.526 1.419 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC)N2CCCC2)CC1 1588848844 NWIZTRHZXQFQER-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1589059229 CQSNXRIQWWRICU-DLBZAZTESA-N 422.576 1.513 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1589287605 BXSJHMRPEINMQS-UHFFFAOYSA-N 413.320 1.431 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](COC)OC)CC1 1594218261 AJRVWNXKAMYPGP-LJQANCHMSA-N 424.509 1.985 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1594733588 VNDVUEBBZAZREI-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCCC2)CC1 1595562242 REBHYFYVUVYDMT-UHFFFAOYSA-N 409.538 1.631 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2CSC)nnc1[C@@]1(OCC)CCOC1 1595603206 ZLYUHAAQQPPWQZ-HNAYVOBHSA-N 409.556 1.564 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(CC)Cc1cnn(C)c1 1595784923 NSWCJZFXQBQCEZ-UHFFFAOYSA-N 415.523 1.701 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595838391 QPPAKHMQEAGPDX-IAGOWNOFSA-N 422.599 1.492 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1NS(C)(=O)=O 1595861124 GNTLFHSSFKHWON-MRXNPFEDSA-N 409.508 1.981 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OC 1596245055 SUWKJQITPBTMCW-INIZCTEOSA-N 410.492 1.335 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1596831093 HZJFMUVMDZUYSY-HZPDHXFCSA-N 408.572 1.650 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1)N1CCOCC1 1611498900 IECGACPJDPXXRX-GOSISDBHSA-N 420.521 1.870 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(N(CCOC)CCOC)CC2)c1 1617776048 ZXXCNQKZXJGMSQ-UHFFFAOYSA-N 416.522 1.375 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c1 1625108780 VCGOZIGPTAQMGT-MJGOQNOKSA-N 401.488 1.867 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1625990269 TUBFQDNZMDWVFB-IAGOWNOFSA-N 424.542 1.337 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@@H]3CNS(C)(=O)=O)n[nH]2)c1C 1626081327 FVAOBPOQTGTJCE-OAHLLOKOSA-N 420.539 1.620 30 10 HDEE C=CCOC[C@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C(=O)OC 1626204347 CILCHLUVAOWRDU-ZDUSSCGKSA-N 409.240 1.504 30 10 HDEE Cn1ccnc1[C@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1626286031 CTIWGDLRZAOBRP-DLBZAZTESA-N 402.476 1.243 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)cc1 1626470753 DSBKVJZLEPNYFI-YLJYHZDGSA-N 405.520 1.832 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCCN2CCC[C@H]2CO)CC1 1630077305 ZNWQKQCJAULLAG-IBGZPJMESA-N 407.555 1.990 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 1631964543 OXTSHCFXDAELDJ-OAQYLSRUSA-N 408.483 1.691 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1633336997 RIBJJMOVLJKDEY-ZACQAIPSSA-N 407.511 1.648 30 10 HDEE Cn1cc([C@@H]2N(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)CC2(C)C)cn1 1634260016 OGAZSPMTCCMGCZ-SFHVURJKSA-N 415.519 1.849 30 10 HDEE COC1(C(=O)NCc2ccc(C(=O)NO)cc2)CCN(C(=O)OC(C)(C)C)CC1 1635201232 ZYOUUYCQANUWRP-UHFFFAOYSA-N 407.467 1.838 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)N(CC#N)CCC(=O)OC)ccc2c1=O 1635948812 HMSHTZBZINPFPO-UHFFFAOYSA-N 418.475 1.251 30 10 HDEE CC1(C(=O)NC[C@H](O)CS(C)(=O)=O)CCN(c2ccc(Cl)cc2C#N)CC1 1636477429 LZBBRCZXMDCTSQ-HNNXBMFYSA-N 413.927 1.340 30 10 HDEE CC1(C)CN(c2ccc(Cl)cc2)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1636639102 CHWRKMLKCYGSQB-UHFFFAOYSA-N 415.881 1.991 30 10 HDEE COC(=O)[C@@H]1C[C@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc21 1636937976 BBIXJGUVOARXDG-MSOLQXFVSA-N 413.455 1.354 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1637438750 CFXIQRBRMWAUII-SJWGOKEGSA-N 401.488 1.631 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3cncc(C#N)c3)cc2)C[C@@H](C)O1 1638830874 USULIDYTYWXUBE-GASCZTMLSA-N 414.487 1.681 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(OCCO)CCCCC2)ccc1F 1639986860 FITUZBAXJWPFGA-UHFFFAOYSA-N 414.499 1.732 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1645002543 MEMCBYDFLACVPP-IBGZPJMESA-N 406.571 1.923 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(C)C)[C@H](O)c2ccc(Cl)cc2)C1=O 1647742798 KIUDWTSXIZIEPP-JKSUJKDBSA-N 407.854 1.491 30 10 HDEE COc1ccc([C@@H](CNS(=O)(=O)CC2(CC#N)CC2)N2CCOCC2)cc1OC 1653505040 AKJLXZCILUBXCY-QGZVFWFLSA-N 423.535 1.690 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1654894679 GGLMNGVIQFJXCP-YJBOKZPZSA-N 403.552 1.351 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccc(C#N)cc3)CC2)CCC1 1655357660 KBQXOBWRQIYSQV-IBGZPJMESA-N 420.579 1.682 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1656040519 AUAPMTBQSLPMDE-DGCLKSJQSA-N 400.840 1.327 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CCO)[C@@H](CO)C2)n(Cc2ccccc2)c1C 1656541347 VXMVUAPXDUTAHG-WOJBJXKFSA-N 410.518 1.886 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1660835118 MWBHJELVMHCYNC-UHFFFAOYSA-N 415.496 1.123 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@H](C)O1 1668654306 HKYSRVQFTYVYJN-ONGXEEELSA-N 407.261 1.884 30 10 HDEE CCON(C)C(=O)CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1674147066 GMYHTITYOFWCEX-UHFFFAOYSA-N 417.445 1.107 30 10 HDEE C=CCN(C(=O)Nc1ccc2c(c1)CCN2C(=O)COC)[C@@H]1CCS(=O)(=O)C1 1676627754 ZDPHGIBLUHWCKG-MRXNPFEDSA-N 407.492 1.429 30 10 HDEE COc1ccc(C2(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2)cc1 1679380425 MOZWYQNVTMOJBS-OXJNMPFZSA-N 403.504 1.697 30 10 HDEE C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)[C@@H]1COC[C@@H]12 1682732126 AWNIOCLVFVVUHV-BHQCHZOVSA-N 416.518 1.078 30 10 HDEE Cn1cnc(CCCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1683592625 SQFDJWMEWYTIRR-UHFFFAOYSA-N 419.493 1.541 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCOC1 1684819273 ZWEAXNQBQIRPRH-PKOBYXMFSA-N 420.535 1.779 30 10 HDEE CSc1ccc(CNC(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1C#N 1687595036 RTVBITNEYFFEGG-UHFFFAOYSA-N 415.563 1.976 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1689824375 NZGSGLYVUDHBMR-JTSKRJEESA-N 410.522 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1689856465 QWOGMDMKCBDNQI-KRWDZBQOSA-N 424.530 1.700 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1689929884 GPUKBAFPHJYENN-KRWDZBQOSA-N 423.583 1.884 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689938616 QKNORBHTYIWRAQ-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1nc(C)no1 1690003541 QEWBPXMRIVTXQQ-NRFANRHFSA-N 412.494 1.716 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690023685 CFTBGUJTFWRMQV-UHFFFAOYSA-N 416.529 1.652 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1690058973 GBKRZJSHKNUWGT-OAHLLOKOSA-N 412.519 1.944 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@H]1CCCCS1(=O)=O 1690106114 KOFUGLLYGZLHRZ-QGZVFWFLSA-N 422.576 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)CCC)CC1 1690145976 CDUGZYHPXPLDCH-DYESRHJHSA-N 403.527 1.299 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690157337 DMHZHGNZAOUEDG-IXDOHACOSA-N 421.567 1.426 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1690167318 GRPKHNUWAIIBFP-UHFFFAOYSA-N 417.510 1.746 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nnc1C(C)(C)C 1690185703 DRHCXHUSGNUSRJ-KRWDZBQOSA-N 418.611 1.685 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1690206461 RTDITRJUMOVXSM-BEVDRBHNSA-N 418.519 1.673 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1690249379 XLSCJCHRXMPZGK-WWMYMODYSA-N 410.522 1.912 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1690514984 BSBPHQJCMIUPNE-HNNXBMFYSA-N 418.567 1.941 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690744976 VLIYAZXKHMAHQQ-SOUVJXGZSA-N 402.586 1.959 30 10 HDEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1691600884 FRNANEKFLOKUOA-MSOLQXFVSA-N 415.542 1.250 30 10 HDEE Cc1c(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1692934512 WKTZKAMTDDZYTE-VXPUYCOJSA-N 424.509 1.435 30 10 HDEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1695798493 KBODUIBMNVYNRG-FOIQADDNSA-N 418.473 1.674 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1698191544 QLINNRUMURKXRE-IBGZPJMESA-N 422.493 1.740 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCOCCCO)cc1 1698487164 BZTJIIXWCYUNKP-OAQYLSRUSA-N 410.478 1.075 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705486146 XPIDNYXKAWTSOH-DOTOQJQBSA-N 417.535 1.836 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705516499 CQBVSOUFBOYPFF-MSOLQXFVSA-N 401.511 1.413 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1705580369 IDNLDUKUGODYHF-FQEVSTJZSA-N 413.485 1.595 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1conc1COC 1705580883 PQHZOGPKGQFGOZ-UHFFFAOYSA-N 408.418 1.261 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCS(=O)(=O)C1 1705666549 BETDHUZZEWOTIO-DNVCBOLYSA-N 407.540 1.233 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C)C1CC1 1705849382 LACOQSCGGCYUCO-GFCCVEGCSA-N 408.528 1.950 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1705852685 ARDQVXNRTYSHPC-WMZOPIPTSA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705896992 DCZQAFVRUSMHBV-XHSDSOJGSA-N 424.571 1.350 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCn2nc(C)nc2C1 1705948429 UGJSHOGJSNVKDF-UHFFFAOYSA-N 413.555 1.979 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1706657209 FPBSTMSLLPLTCB-PBHICJAKSA-N 414.507 1.289 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1706659055 DGLHISUNETVCCI-APWZRJJASA-N 424.571 1.630 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCO 1706747428 MLAXTBFAHIGAJX-YJBOKZPZSA-N 401.467 1.928 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1708259406 RZXIQJJVKZTJGI-ZYSHUDEJSA-N 413.478 1.494 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1708276811 UUFQIVFLSLIZSD-FASAQXTFSA-N 416.413 1.835 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722290469 FZBRIBUURSFJNW-QLFBSQMISA-N 404.515 1.848 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCOCC)c1 1722309527 OTULWWXSXVQIMC-GOSISDBHSA-N 424.505 1.712 30 10 HDEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722311905 NJGZWYQBNUSSOB-OAHLLOKOSA-N 402.886 1.748 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H](C)CN1CCOCC1 1722384271 ROJDGNCCIRNPIW-HXUWFJFHSA-N 421.545 1.919 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@]1(C)CN(C2CC2)C1=O 1722425987 UFDQXWGNZWNGJN-QFIPXVFZSA-N 408.506 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C)n(C)c2=O)CC1 1722445921 FNWOJVNPLBBXSP-UHFFFAOYSA-N 408.506 1.177 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(O)CC(OCC)C2)CC1 1722448802 YVPHFIASRGVCIL-UHFFFAOYSA-N 415.538 1.441 30 10 HDEE Cc1nnc(N2CC[C@H](CN3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726378217 CUPJHMZLEODBRQ-NHKNDPDJSA-N 413.526 1.425 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1730876208 NDYCJQMHCTULKJ-ZWKOTPCHSA-N 420.558 1.853 30 10 HDEE C=CCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)[C@H]2COC[C@H]21 1735798647 ZUIBRIRJAFAHBM-BHQCHZOVSA-N 400.519 1.842 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CCOC2)CC1 1740701180 XEWCRRUEBSEGGM-IPMKNSEASA-N 401.555 1.988 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1740738426 HJUHTPPFKKJRSZ-JTQLQIEISA-N 410.363 1.350 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CCOC 1740750696 TWESVMMYMSLFPO-MSOLQXFVSA-N 416.526 1.862 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1740902328 HYTZLMXNJILRHA-UHFFFAOYSA-N 412.519 1.865 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1)C1CC1 1740910364 NBJNAOCIUCYRSZ-AWEZNQCLSA-N 407.540 1.394 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1740933110 HDWCYYANWYZOCN-UHFFFAOYSA-N 400.405 1.257 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cnccc1OC 1740936608 BYIGVKCKLIEXFR-UHFFFAOYSA-N 400.483 1.605 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C2CCOCC2)C1 1740951388 XIDISPZYHHIFDK-KRWDZBQOSA-N 416.526 1.069 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1740959167 MICACQCOINGVOT-UHFFFAOYSA-N 412.469 1.559 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1741080743 FCXAXWHGJSJMPI-QGZVFWFLSA-N 410.478 1.359 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)cs1 1742558262 BCFXGSQMGUPWKA-LBPRGKRZSA-N 408.553 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748661843 MHUXBQWHDYLFNJ-HOCLYGCPSA-N 407.453 1.676 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1748798161 CDVLFNXCAISTMK-UHFFFAOYSA-N 402.524 1.501 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1scnc1C 1748864123 QKCAXKGQXZMQPW-HNNXBMFYSA-N 420.564 1.359 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748887509 BFJCWHFRSXOZFY-UHFFFAOYSA-N 408.506 1.873 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)CC1 1748989982 SKCLGQQESGZWFO-IBGZPJMESA-N 424.505 1.024 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749229266 IKVIKLXQKYKCAR-ROUUACIJSA-N 402.499 1.477 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1749413724 XMRVVGKNOIBRPR-HNNXBMFYSA-N 413.544 1.240 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1749728314 GOYMXQBDEMCQCV-IBGZPJMESA-N 421.505 1.942 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(C)C)CC1 1749731888 MYFFOHFNOPEVIM-KRWDZBQOSA-N 411.572 1.651 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760193024 RHQNKYLSFVBUJV-MRXNPFEDSA-N 404.492 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)CN1CCOCC1 1760198441 CAIYRBROIZQSLZ-IBGZPJMESA-N 407.518 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1760228089 VEHRCNYNUUZJHP-JOCHJYFZSA-N 411.506 1.798 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nccc(C(F)F)n2)CC1 1760259508 MRDQQAYAAUGOFI-CQSZACIVSA-N 403.437 1.313 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1760294662 CYODHTXHZQRPBW-QFBILLFUSA-N 422.551 1.104 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC)C1 1760325849 SNENQVVZVQLSBD-QKLQHJQFSA-N 403.527 1.997 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760344959 WKOOVPQIPVKTEQ-HNNXBMFYSA-N 403.512 1.316 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1760430201 BQCVKGFCSLVDAH-OXJNMPFZSA-N 404.515 1.500 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1760442097 FXOBQZSIMZFJEE-UHFFFAOYSA-N 421.571 1.624 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760449055 YQHQJKVURXGMOX-UHFFFAOYSA-N 420.539 1.451 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760508974 ZZNJZJNGRCNQOY-CZUORRHYSA-N 402.451 1.509 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C(C)C)C1 1760520986 GRARALFGFDJOOL-MRXNPFEDSA-N 416.482 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1760551810 SJPZOPYWWWGISY-HNNXBMFYSA-N 401.492 1.643 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1762035199 MRJOVXDRVQJKDY-JCGIZDLHSA-N 410.478 1.683 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1764379722 DDGKFGBUQQGSBZ-INIZCTEOSA-N 405.466 1.759 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](F)COC 1768230236 WOJHHEZQAPBHMQ-MRXNPFEDSA-N 409.487 1.672 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1c(C)nn(C)c1C 1770177942 WHQJBXFQCVJTFX-SKDZVZGDSA-N 401.515 1.997 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)c1cc(OCC)c2cc3c(cc2n1)OCCO3 1850449902 NSPQMYQFTRCQNZ-UHFFFAOYSA-N 404.444 1.183 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 1850986112 SIWWZXBRTGYOIU-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCCN(C2CCS(=O)(=O)CC2)CC1 1851120798 CUFLCPKWEBWGEB-UHFFFAOYSA-N 421.519 1.057 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)cc1 1852527488 ZPEPABHPFSYHBS-INIZCTEOSA-N 404.488 1.888 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CCCC[C@H]2CCN2CCOCC2)n1C 1853428564 RVGIZVIZCIULOM-SFHVURJKSA-N 405.543 1.464 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)cc1 1853660449 BDMRBBUJMWYFQM-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)cs1 1853666439 BRKNPRVOWMIFDE-FQEVSTJZSA-N 423.542 1.811 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(Cc3nnc4n3CCC4)C2)CC1=O 1853856706 VXGAXCSNCRCWDW-SJORKVTESA-N 400.527 1.072 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1=O 1854242274 NKVHIRDCZAUOFU-KRWDZBQOSA-N 416.453 1.026 30 10 HDEE Cn1c(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc2ccccc21 1854401302 MFYBTGJJLZXSIJ-UHFFFAOYSA-N 414.487 1.629 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854410675 QAAVCDHEYUJAIV-CQSZACIVSA-N 423.466 1.430 30 10 HDEE Cn1cccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)c1=O 1854516053 ISJRMCAEDQKWMP-UHFFFAOYSA-N 408.458 1.399 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856532362 UTGHMGOBAWYFQB-AEFFLSMTSA-N 404.474 1.849 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H](F)CC3CCC3)C(=O)O2)CC1 1856671370 BSCZMRMPHMNBJM-HUUCEWRRSA-N 401.460 1.427 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4cnccn4)C3=O)CC2)c1 1857016754 XIOAMWXZDOWJGK-SFHVURJKSA-N 406.446 1.275 30 10 HDEE CC(=O)c1c(C)oc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C#N 1859759895 WOWBWUMJNQKDGJ-UHFFFAOYSA-N 417.443 1.936 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(C)nn2C 1865227103 AWXWELWCOOQVHD-DNVCBOLYSA-N 424.501 1.971 30 10 HDEE C=CCN1C(=O)c2cccc(OC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C1=O 1865794797 ZRSGUVBOIQMCGS-UHFFFAOYSA-N 414.439 1.938 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(CO)CC2)cc1=O 1870388362 SUEZSAXLLLGHDA-UHFFFAOYSA-N 421.519 1.313 30 10 HDEE C#CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870560441 WNSZWDDMKWHGGN-UHFFFAOYSA-N 418.501 1.543 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871548715 RNXNQUMVVZSQCR-UHFFFAOYSA-N 423.565 1.998 30 10 HDEE COCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874501888 FNDMDWRXLJULCE-UBKPWBPPSA-N 400.844 1.939 30 10 HDEE C=CCN(CCC(=O)NC[C@H](CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885966408 BUFBNFKRGIXQEA-CQSZACIVSA-N 401.504 1.801 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1895874886 CVJNMFPMZOQLPW-GJZGRUSLSA-N 410.320 1.907 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1908253902 CEYGFAPCECJQEK-YJNKXOJESA-N 422.331 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2118162784 LVTTWNOQAGICHB-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)cc1 2118163554 RBBXKIHSXLWQCU-GOSISDBHSA-N 415.471 1.874 30 10 HDEE C=C(CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)CNC1CC1 2165101058 ZMAVBUJTBKEVEU-MHZLTWQESA-N 401.577 1.707 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNS(=O)(=O)N1CC[C@@H](C#N)C1 2174784176 LDXUUJMBHMYEHF-SWLSCSKDSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCCNS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174785213 WMLIBRVXTGCXMI-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)N[C@@H](CS)C(=O)O 2180239514 DXLCITSVQRTQEH-QWRGUYRKSA-N 400.453 1.033 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217476705 SKLWKUXRGCAIJY-CQSZACIVSA-N 422.287 1.826 30 10 HDEE Cn1nc(Br)c([C@H](O)[C@@H](N)C#Cc2ccccc2Br)n1 2235732234 RSPULNYCYGNUMA-CMPLNLGQSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2244725836 ATCPWDPEODBBAD-MELADBBJSA-N 410.320 1.813 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3OCCO3)c(Cl)c2)OC1(C)C 2247905494 UQEHSAYBFQDCJZ-UHFFFAOYSA-N 403.693 1.290 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247916609 AWOWCZCUKRIZAL-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE COC(=O)[C@H](CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2249998941 PFMNGFJSWKECJT-AWEZNQCLSA-N 424.303 1.584 30 10 HDEE Cn1nc(Br)cc1S(=O)(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2251305322 YUIGLVIANLHLFL-UHFFFAOYSA-N 406.111 1.649 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CSC 2267468456 VRROXBUPNXEIJM-NSHDSACASA-N 407.388 1.704 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(C[C@H](C)C#N)C1CC1)NC(=O)OCc1ccccc1 2270513753 JJTHBCUHRXBVIO-RHSMWYFYSA-N 423.491 1.408 30 10 HDEE Cn1nc(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)c(Cl)c1Cl 2281980450 USJFBNSHVKDAHV-UHFFFAOYSA-N 400.075 1.679 30 10 HDEE CNCC(C)(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282310567 VYHGYRUTRXQQNF-UHFFFAOYSA-N 402.391 1.880 30 10 HDEE COC[C@@](C)(CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322490 MWTNYFDOKGSEHL-MRXNPFEDSA-N 405.347 1.031 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CC(F)(F)CO2)OC1(C)C 2282340534 HIHDVVQMLUSPLG-SNVBAGLBSA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H]3CCO)s2)OC1(C)C 2282340911 LHGVFLJQNBPMGO-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CC[C@]1(O)CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282341152 OKSMGQPLAMVCRS-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@@H]3CN)c(Cl)c2)OC1(C)C 2282415326 GNLMFVBFGNYUDP-NEPJUHHUSA-N 400.737 1.512 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282498764 JDIVAODRTADZDJ-SHZVTRLKSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCC[C@@H](O)[C@H]3O)c2Cl)OC1(C)C 2282664030 XXXDFUPJHRMIBO-WZRBSPASSA-N 401.721 1.705 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282668236 DQJONPPQGINTLL-LBPRGKRZSA-N 401.359 1.989 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282836884 QGRXXYFZGFVFTC-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE COC[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845354 QWBJWCDBFSEVNT-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE CC1(C)[C@@H](O)C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849797 GZOPRNHVHQJDDT-YPMHNXCESA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2CC[C@H](N)C2)OC1(C)C 2282854788 VZDXLVSHIYUXAG-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC[C@@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCCNC1 2282857635 KUTINGBVSAEDKT-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N1C 2282861636 QPOXWZASPKTZPC-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE COC[C@H]1C[C@H]1CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282864399 FPNVYHDLEHRPRQ-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CC[C@@H]3C(=O)O)c2)OC1(C)C 2284399212 HPQRWCWPITUQGA-JQWIXIFHSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@H]2C(=O)O)OC1(C)C 2284406778 CGMBQVPYVBEBGB-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@]1(O)[C@@H]2COC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 2285905000 XFULZJWYXKYURV-PPLBCVRQSA-N 400.456 1.839 30 10 HDEE C#CCOCCCCCNS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2320996200 YPUHANVAVILAMC-UHFFFAOYSA-N 406.504 1.802 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812924 YISCJXBTXAMBHM-HRCADAONSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367814889 FCFOJRBJBCUTHR-DAYGRLMNSA-N 400.541 1.163 30 10 HDEE N[C@@H](C#Cc1ccnn1C1CC1)[C@@H](O)c1ncc(I)s1 2367872102 YFVYGVHTHZAOIC-CMPLNLGQSA-N 400.245 1.692 30 10 HDEE CC1(C)OB(c2cc(N3CCSC[C@H]3S(C)(=O)=O)ncc2F)OC1(C)C 2371994737 RUCXZYYUGWYDSA-CQSZACIVSA-N 402.322 1.444 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2372396937 OJHHQYKSNZMSGA-YGTYGHESSA-N 400.541 1.291 30 10 HDEE Cc1ccc(/C=C\C(=O)NC(=S)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1 4468728 WKONATIMVDWNLS-WDZFZDKYSA-N 417.516 1.484 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 9333686 MRRVIVJBLQHGLA-DNVCBOLYSA-N 409.508 1.650 30 10 HDEE COC(=O)c1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 12528830 BCJSRJWVSMOYKK-ZDLGFXPLSA-N 405.410 1.851 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)c1 21315576 OHSOQZBZUIRELY-KEBDBYFISA-N 413.463 1.883 30 10 HDEE CC(C)N(C[C@@H]1CCCCN1CCO)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089591 OVKNBTREHAUPOY-SFHVURJKSA-N 404.364 1.837 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 301349146 LWORFDQTNAKMPR-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 306121505 HOYYRILTTRZHTJ-YQKAUVFSSA-N 400.471 1.904 30 10 HDEE CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)N1CCO[C@H](C#N)C1 409530292 PWHXGVUDTIOOHY-SNVBAGLBSA-N 407.279 1.333 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCCOc2ccc(C#N)cc2)cc1 427826259 NKPLQZAJMBRXJZ-UHFFFAOYSA-N 415.471 1.624 30 10 HDEE CN(CCNC(=O)NCCOc1ccc(C#N)cc1)S(=O)(=O)c1cccs1 435104524 RGIXRZKAQYJVCB-UHFFFAOYSA-N 408.505 1.618 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CN1C1CC1 441291572 GRSYCUMZNYXVRS-DOTOQJQBSA-N 417.535 1.199 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN(C)Cc2nnnn2C)cc1 466486518 NJZKGZHNVLSSMR-UHFFFAOYSA-N 408.466 1.568 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3c(F)cccc3F)cc2C)CC1 468536592 NOCKZLJFNHXVBZ-UHFFFAOYSA-N 403.433 1.519 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2C(=O)NCCOc2ccc(C#N)cc2)cn1 486492944 FFNWFZMUPYRJJX-KWMCUTETSA-N 401.492 1.669 30 10 HDEE N#C[C@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 499412959 KYOHKADAFVEZKH-XKZABGERSA-N 405.252 1.898 30 10 HDEE CS(=O)(=O)c1ccc(OCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 521801540 ANTDVCTYTFTIEV-UHFFFAOYSA-N 414.487 1.474 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)C1CC1 533598013 RRZUYULBGKAGGF-HNNXBMFYSA-N 424.954 1.797 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 538970693 RJOBJSHGOFEVGW-OAHLLOKOSA-N 405.436 1.579 30 10 HDEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549266299 OFYHZPRTNXVDHG-UHFFFAOYSA-N 404.559 1.424 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 555270231 ZUMLVVDKRLSGBW-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 555271516 AQEOLKXBFQUVKZ-OAHLLOKOSA-N 420.514 1.617 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 559000325 ZHCHJHOAVOPEMC-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE Cc1cc([C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)ccc1F 578704271 XXZDPNOGFVUBAP-LJQANCHMSA-N 417.462 1.884 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 609287379 GTWXMCQLNCKJTJ-CEXWTWQISA-N 417.531 1.626 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](N4CCNC4=O)C3)n2C[C@H]2CCCO2)cc1 619853265 VRXZVDDAEXWKCC-RBUKOAKNSA-N 421.505 1.990 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@@H](C)CN2CCN(C)CC2)C1=O 730139693 ILAHKMYFMCUBFE-FUHWJXTLSA-N 417.579 1.699 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CCN1C1CC1 732650252 LBKPKSCCPGRPAU-AWEZNQCLSA-N 417.516 1.110 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)N(CC)CC)CC1 743122198 OHSBIMUYCDWHHN-UHFFFAOYSA-N 401.511 1.620 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746188798 HOYSZZKSDZLAAY-ISLYRVAYSA-N 406.483 1.666 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 747501219 YUEBPUHVKGSOEU-HKUYNNGSSA-N 400.479 1.947 30 10 HDEE CCn1c(SCCS(=O)(=O)c2cccc(C#N)c2)nnc1N1CCOCC1 753911106 SPBFPRCEADFVIH-UHFFFAOYSA-N 407.521 1.572 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 755212787 GLFAUFLZNRPBMH-IAGOWNOFSA-N 421.542 1.194 30 10 HDEE O=C(O)C[C@H](O)CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757485940 OAINGEGYRGIECE-HNNXBMFYSA-N 422.437 1.480 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ncccc2Cl)C1 757694666 XNBLFDFFRIDYQL-UWENYHRYSA-N 404.858 1.139 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3c(Cl)nc4sccn34)CC2)n1 760618704 GABBBNOSFSAFDT-UHFFFAOYSA-N 408.896 1.827 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](C(=O)O)c1ccc2ccccc2c1 762205419 GJRHQUKVKVFSRQ-LJQANCHMSA-N 423.450 1.820 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)[C@H]1CCCO1 773057516 OXVZQLYFTCVUBX-WCQYABFASA-N 424.447 1.119 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1)[C@H]1CCS(=O)(=O)C1 774049713 VNBAMWRABFTQMH-HNNXBMFYSA-N 403.460 1.303 30 10 HDEE C#CCN(C(=O)NCCNc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 774166322 GBFXMBQZAMYDTD-LBPRGKRZSA-N 405.307 1.632 30 10 HDEE C#CCN(C(=O)NCC(CC)(CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774247308 XCHSTNYMMQKZMQ-OAHLLOKOSA-N 415.556 1.902 30 10 HDEE N#CCc1ccccc1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 776969387 DOXSUJQIKNRKNW-UHFFFAOYSA-N 415.471 1.660 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CCC2CS(=O)(=O)C2)C1=O 786683559 OQJJZKUPNMNTNK-INIZCTEOSA-N 423.560 1.806 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccccc3OC)C2)n1 788820691 IXQBNNCNRRLXSS-QGZVFWFLSA-N 410.474 1.553 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1OC 788838905 DHZGTILDVWOOGF-NRFANRHFSA-N 403.479 1.963 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 789041093 XCTWTMKGSNMETP-PXNSSMCTSA-N 409.490 1.868 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCc1cccnc1 790359974 ARMSVGSPFIOBSF-UHFFFAOYSA-N 424.489 1.760 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2 796096554 DYRAAAMIGICRFX-OAHLLOKOSA-N 400.456 1.939 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC(=O)N2C(C)(C)C)cn1 796810917 FJNWYKUKGHGWMO-DZGCQCFKSA-N 409.512 1.104 30 10 HDEE N#CC1CCC(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 799386384 VTNORHWFHLLHFL-UHFFFAOYSA-N 409.483 1.906 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CC(=O)N4CCC[C@@H]34)nc2)C1 799471974 KPSYYVCOWIEKRF-CPUCHLNUSA-N 405.524 1.911 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@H]1Cc1c[nH]c2ccccc12 799770545 BPALKAAVJXBKDV-VNRULFPQSA-N 408.458 1.854 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 800099706 SWFKUDDNHAJOAB-KRWDZBQOSA-N 405.568 1.644 30 10 HDEE COc1cc(C)nc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 807974308 BKLOBFVRFCGFLN-UHFFFAOYSA-N 400.258 1.650 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 812468031 ZQYMZTDZSBUXHG-SNAWJCMRSA-N 400.483 1.866 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CC(=O)NC1CC1 914540122 POGJUVNVCJDGLC-MRXNPFEDSA-N 400.504 1.874 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 918729420 JGVZNBPTLHLQNT-OAHLLOKOSA-N 414.531 1.331 30 10 HDEE COc1cccc(C[C@H](C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n2nnnc2C)c1 1132853063 KOXXJOMWOQQKAD-TZIWHRDSSA-N 402.458 1.929 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOC(F)(F)C(F)(F)F 1133347011 ZMTJFVFMKVWIEN-UHFFFAOYSA-N 401.313 1.013 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nnn1-c1cccc(Cl)c1 1134056775 UWVFVHBVFNJZIS-SGTLLEGYSA-N 419.894 1.493 30 10 HDEE C=C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1148559510 NKSCXPFFCADNAW-CYBMUJFWSA-N 422.425 1.649 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1161556631 MXBKHWKPOFJVEI-MRXNPFEDSA-N 405.520 1.259 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 1163651906 FPGHVNCSVYJEMK-QGZVFWFLSA-N 403.442 1.591 30 10 HDEE C#CCN1CCC(NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 1178206878 BEDCLWONKMVNIK-OAHLLOKOSA-N 401.511 1.962 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C)CCC2(CC1)OCCO2 1179762502 MWZBYEFMTZKLQG-OAHLLOKOSA-N 421.519 1.665 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 1185653595 DETWSGUWEKOECM-UHFFFAOYSA-N 423.494 1.884 30 10 HDEE C#CC[C@H](CCOC)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1187207187 HAPSMYGFNVDRQT-OAHLLOKOSA-N 410.496 1.371 30 10 HDEE C[C@@]1(CO)CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@]1(C)CO 1193546944 ACCHUOYWXYJQHO-GASCZTMLSA-N 403.298 1.322 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2c(cc1OC)NC(=O)CO2)C(=O)OCC 1193572286 BBNSLNVETFSYLP-NSHDSACASA-N 418.855 1.379 30 10 HDEE C#CCN(C)CCCNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1221682477 YBXINZIVMMBFKY-UHFFFAOYSA-N 405.930 1.243 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 1221751704 SUCKBESMUNKDTD-UHFFFAOYSA-N 414.550 1.921 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(c3ccc(NC(C)=O)cc3)C2)n1 1271205163 ZCYAQWCFSNXPDD-KRWDZBQOSA-N 407.474 1.876 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286414555 ZFHCSLFECFWHJA-RBUKOAKNSA-N 407.522 1.647 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1 1286415814 GYXOHHNZFBWVAK-UHFFFAOYSA-N 410.474 1.480 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1 1286467265 OFSMWPRANCCJCK-QGZVFWFLSA-N 420.510 1.648 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286507340 HJDZLDJNELBDLB-IBGZPJMESA-N 412.563 1.983 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286664617 ZBQUYRPABVWIJU-QZTJIDSGSA-N 403.527 1.679 30 10 HDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1286712177 TXSLCUIIQYDDNC-GOSISDBHSA-N 413.478 1.710 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286788361 VIJQBJFTALRMLG-GOSISDBHSA-N 410.522 1.719 30 10 HDEE C[C@@H]1C[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(CCC#N)CC2CC2)CCO1 1291022105 BPXZXHQLRCIERV-BFYDXBDKSA-N 424.571 1.833 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1295959936 MKPVGEPSALJSKL-UHFFFAOYSA-N 421.509 1.827 30 10 HDEE CO[C@@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CCOC1 1299806567 MTKSKFKNGXRZGI-ORAYPTAESA-N 402.455 1.550 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)C1 1300019347 VFVHUZBQBMIFTP-XXBNENTESA-N 417.469 1.964 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1(C#N)CCCC1 1300226024 BMLGEUGYRMRPLO-QGZVFWFLSA-N 421.519 1.916 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(=O)NC)C1 1300336715 MOJHOLVVXHETDW-NRFANRHFSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300422067 XOZBFZMZWPGQLZ-SJORKVTESA-N 406.556 1.811 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1300499717 WFBFCNCTKWVOST-CVEARBPZSA-N 408.524 1.010 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1300526949 QVPWRZVFLOYASU-IBGZPJMESA-N 405.502 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCNC(=O)c1cccs1 1300541439 UUUUWDASQPUCOH-UHFFFAOYSA-N 404.499 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(COC)CCOCC1 1300663907 IZESKXMXRWJHAD-UHFFFAOYSA-N 402.499 1.208 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)COC)CC1 1300719417 AERRCPIYTNGLAY-UHFFFAOYSA-N 410.522 1.979 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@](C)(C(N)=O)C1 1301587630 WEDDJUJJDOUDNL-SFHVURJKSA-N 423.564 1.233 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1303277682 VSHJHJHPOIEVFN-LJQANCHMSA-N 424.553 1.715 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CCCN1C(=O)OC(C)(C)C 1303343026 VGAZGTRVOYIVIV-JXXFODFXSA-N 410.536 1.673 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303432987 AYHVLFGGGAZJIF-DLBZAZTESA-N 401.515 1.221 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)C1CCOCC1 1303898528 DOWMNCVKYPYEDW-GOEBONIOSA-N 406.508 1.338 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1305531683 KOKBPUHERRUABV-DOTOQJQBSA-N 411.510 1.878 30 10 HDEE CCc1nc(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CCOC)cs1 1306033084 FJUBTYATNRLYRG-UHFFFAOYSA-N 417.539 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(CO)(NCC2CC2)CC1 1306867740 QAOACZYMMIHFOS-QGZVFWFLSA-N 408.543 1.927 30 10 HDEE N#CCCN1CCN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1312048561 GFBQEULISRRFBX-UHFFFAOYSA-N 419.551 1.222 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2=O)cc1 1312487740 YTWCXXWIFDEIBY-FUHWJXTLSA-N 405.462 1.740 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1)C1CCOCC1 1313043923 XABCXXHKQKMADM-NSHGMRRFSA-N 404.555 1.247 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C#N)c2)C1 1314922399 CYVDWYKOLFVULA-NRFANRHFSA-N 404.478 1.310 30 10 HDEE C[C@H](CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)N(C)C(=O)OC(C)(C)C 1338931080 CXMQSYBRDCUIHF-UWZWCOGJSA-N 409.487 1.458 30 10 HDEE C#CCCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358917490 RXTXUUVUEFYZDW-QGZVFWFLSA-N 424.505 1.883 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1358919152 TWMAKHNVKMAPRJ-WBVHZDCISA-N 400.527 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1358941754 WNYSTSXKAROCBS-HXUWFJFHSA-N 424.549 1.966 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1358956587 HZQMRHIDONRGGS-QINHECLXSA-N 420.535 1.919 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ncc(CC)s2)CC1 1359034586 WWNSEWAOFCHVAA-UHFFFAOYSA-N 408.535 1.752 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359207553 OEQVAEHLGXVLBZ-MRXNPFEDSA-N 424.509 1.932 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)C2(CCC2)C1 1359301438 YSLGPDYGUYFZMH-HOTGVXAUSA-N 421.567 1.499 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](OC)C(C)(C)C1 1359302847 VPBQLCUBWSAVTD-KRWDZBQOSA-N 423.521 1.680 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CN2CCCC3(CC3)S2(=O)=O)ccc1OC 1435132671 CSKWQELGVICSGK-INIZCTEOSA-N 421.519 1.951 30 10 HDEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H](C)NC(=O)Cn1cnnn1 1443647823 SYJKVHCBWFTIRM-OAHLLOKOSA-N 421.436 1.730 30 10 HDEE N#CCN1CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1444356741 PONIKSPZCNHZAW-UHFFFAOYSA-N 421.704 1.031 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1447478855 DOGCZWOUFREVGT-OCCSQVGLSA-N 419.482 1.864 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)C(=O)OC 1454714875 BRUREAMFGJNAFP-HUUCEWRRSA-N 412.512 1.051 30 10 HDEE COCCCn1nc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)ccc1=O 1455324804 DJSJVAGCJKVTFQ-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE C[C@H](CC(=O)NCc1cnn2c1CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1456261743 JQFWFSBZHDTXLL-CYBMUJFWSA-N 401.492 1.353 30 10 HDEE CN(CCC(=O)Nc1sc2c(c1C#N)CCC2)Cc1nnc2n1CCN(C)C2=O 1460772213 CTQQLHIJCBYKHM-UHFFFAOYSA-N 413.507 1.246 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 1460895030 OXCKJHZSTMOUJI-MJGOQNOKSA-N 423.498 1.925 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OCC 1462500966 IMNTVXCXGBRIMP-OAHLLOKOSA-N 400.435 1.975 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)c1 1464888064 WCTNWUGPEMIAGS-HXUWFJFHSA-N 415.515 1.946 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)cc1 1465398871 ODYUCQDHTJOTSY-WBVHZDCISA-N 420.535 1.889 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)s1 1466677244 GSDIUDWOGQRMFD-UHFFFAOYSA-N 422.532 1.958 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(Br)c2C)CC1 1471451553 WIMVZVCJHGKYGN-UHFFFAOYSA-N 414.325 1.291 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1471908304 KPIGTSOZRNATQE-HNNXBMFYSA-N 420.372 1.300 30 10 HDEE C[C@@H]1COCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1494595381 UKPYBYLNXUEURY-MVZUJROASA-N 414.510 1.762 30 10 HDEE CCN1CCN(CCCCn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502352925 SCZSUGFEWJBBFB-IBGZPJMESA-N 401.559 1.377 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1505073858 WPPLAIOPIDBZSC-XASIKMQRSA-N 420.489 1.359 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1505083310 XKOYGTQENHQWMB-YDHLFZDLSA-N 423.424 1.371 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1507534815 ASRBAOWGLUMKOF-CQSZACIVSA-N 423.489 1.641 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1507611475 QYSPMYZIXNVATA-UHFFFAOYSA-N 419.493 1.439 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(COCC)cc2)CC1 1507723321 DECLWMXEGYOXMX-FQEVSTJZSA-N 422.533 1.569 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099466 YPOUTWXUENQXAR-HRAATJIYSA-N 421.542 1.482 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCn1cnnn1 1509002824 VKMDMAKMSWRYMG-UHFFFAOYSA-N 424.488 1.816 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1C[C@H](C)O[C@H](C)C1 1509577564 GJICKWGOJIEIQU-YESZJQIVSA-N 405.547 1.654 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccco1 1509654785 CYVJOODXOMFQBE-UHFFFAOYSA-N 407.434 1.593 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1509954129 UFKXVAWVCXDQMC-AAEUAGOBSA-N 416.873 1.720 30 10 HDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1515720046 VRRPBGXKPXMHRD-JKSUJKDBSA-N 412.560 1.582 30 10 HDEE C[C@@H]1[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN1C(=O)OC(C)(C)C 1523979078 CUIURYULTOWAPV-OLZOCXBDSA-N 404.471 1.702 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)c2C#N)C1 1533457145 IEFRVTKEHYRMDE-LJQANCHMSA-N 415.475 1.183 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1 1536910305 JZSCTOYSQXBSPZ-UHFFFAOYSA-N 407.471 1.320 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCCN1CCOCC1 1539038200 MKOOIZZHMCODNW-QYZOEREBSA-N 405.543 1.572 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1539155608 YELHDPKHCMNZEJ-MAUKXSAKSA-N 415.460 1.884 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1539180054 VVQJIRVQCKRGNN-NDEPHWFRSA-N 401.540 1.290 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1539461782 LOPIWXKATMLZEL-OAQYLSRUSA-N 401.486 1.617 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)CC1 1539849289 WBZWOZHDXNRGFM-LYGPFTKASA-N 410.540 1.267 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC(O)CC2)C1 1540892883 SPCFKCCCNUXFAK-IEBWSBKVSA-N 405.543 1.410 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1541799895 OVPUWFKASVIZDM-PXAZEXFGSA-N 424.914 1.281 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2coc(/C=C\C(=O)OC(C)(C)C)c2)CC1 1542894514 AJGYLONLCZZRJF-FPLPWBNLSA-N 415.490 1.532 30 10 HDEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978824 YRGNKOUNLLZGPS-ZLUHGAPXSA-N 412.512 1.275 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C2/SCC(=O)N2C)c1 1543097289 WNVVXLZERWFUNC-GEDSXHSXSA-N 408.505 1.485 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1545096077 HAGFEAZCVDUPEQ-JXXFODFXSA-N 416.505 1.620 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1 1546180273 MZCFHLRGAUVHHE-UHFFFAOYSA-N 402.451 1.645 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(N)=O)nc1 1555556410 AYYNCHVMBYSZLU-UHFFFAOYSA-N 420.477 1.557 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C)on1 1555663101 JEPSOFKIWABVHF-YJBOKZPZSA-N 415.498 1.523 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cnccn3)n2CC(F)(F)F)CC1 1555990795 MBILXQQAQHFRLI-UHFFFAOYSA-N 415.383 1.891 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CC(C(=O)OC)=NO3)c1 1556176464 URUKYXHGOMPWHW-UHFFFAOYSA-N 418.471 1.408 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1556189077 FBIXFHKEQPOKEG-HNNXBMFYSA-N 407.341 1.943 30 10 HDEE C=CCN(C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1556205187 SLLUDCODPFZJQX-RTBURBONSA-N 422.547 1.294 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)cn1 1556465677 ROSIQHCKJKZOGM-UHFFFAOYSA-N 410.293 1.921 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(=O)c2ccccc2[nH]1 1558039512 IREYULAVUQQONJ-ZDUSSCGKSA-N 410.455 1.383 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)C2)nc1 1558465935 RWJPASVIAHWCQM-RBUKOAKNSA-N 423.473 1.643 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(-c3ccccc3F)s2)CC1 1563019914 YCOPAXQGNFHKKW-UHFFFAOYSA-N 423.495 1.566 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1568075921 BVVYITBLVCXTTH-URXFXBBRSA-N 409.530 1.513 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1568995271 OFGOLFBQCWZUJE-JLTOFOAXSA-N 407.467 1.175 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)c(F)c1 1587553747 RPAHCMZUWRATDP-PMACEKPBSA-N 423.492 1.936 30 10 HDEE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1587691185 PHQFROOSPQTVEJ-LJQANCHMSA-N 407.474 1.959 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1588054940 QGPMNAZUIKHNHV-KRWDZBQOSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNC(=O)c1cccc(OC)c1 1588120523 OLOBRYVRHJKTTC-UHFFFAOYSA-N 414.469 1.852 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCOC2)CC1 1588914127 XKJIBWGOGIPQBQ-QGZVFWFLSA-N 408.506 1.733 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1593629922 CKAHKJNXRPNBBS-QGZVFWFLSA-N 404.515 1.322 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccs2)CC1 1595550971 KINGJNHWTWTWJQ-INIZCTEOSA-N 416.551 1.468 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](NC(C)=O)C1 1595778324 XTWHQBGWQIZPFG-SFHVURJKSA-N 417.535 1.651 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1595913329 JFDIKIAZSWLYTN-KRWDZBQOSA-N 404.467 1.343 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)C(C)C)CCOC1 1596790506 NKQOYTRCMMBAGU-UZLBHIALSA-N 406.531 1.687 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1603215721 AXCUYCNZJDKNNT-IBGZPJMESA-N 414.458 1.148 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)C1 1611246287 WVTXPSJJOCXFFT-IGQOVBAYSA-N 421.416 1.846 30 10 HDEE N#CCCN(C(=O)CCC(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O)c1ccccc1 1618005428 XHPPBSYTIQPSLU-ZNXRZULTSA-N 403.504 1.938 30 10 HDEE C#C[C@H]1COCCN1Cc1nc2c(c(O)nc(=O)n2Cc2ccccc2)n1CCCC 1618447428 XRXYYABVWJLUHM-SFHVURJKSA-N 421.501 1.981 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@@H]1CCOC1 1618449602 POZYXUPZUBABGI-IRXDYDNUSA-N 400.483 1.456 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)CC(=O)OC(C)(C)C 1619904264 CFWQVPGYQBYBCJ-UHFFFAOYSA-N 416.446 1.898 30 10 HDEE CO[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C[C@H]1OC 1620147977 FJHPOWJGEDNGNF-HDICACEKSA-N 411.466 1.503 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNS(=O)(=O)c2ccc(C#N)s2)CC1 1622548858 JHONRJWDJBNMBQ-UHFFFAOYSA-N 414.553 1.887 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1 1622637536 IVPZKQDQVJMQFH-CQSZACIVSA-N 411.480 1.432 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(SCC3CC3)c2F)CC1 1623498774 DBIGVZVPDTYWTM-UHFFFAOYSA-N 407.486 1.974 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1624852197 WCTFRUYCRNVSFH-UHFFFAOYSA-N 414.487 1.859 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)N[C@H]3CCN(O)C3=O)c(O)c2)c1 1624906328 FYJULEOXMSQNJL-INIZCTEOSA-N 415.402 1.382 30 10 HDEE CCOCCOC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 1625940564 BKYPPKMUYXXJQY-UHFFFAOYSA-N 409.508 1.455 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccc(OC)cc3)cn2)CC1 1627015526 UJVKUBBJXMHIBU-UHFFFAOYSA-N 422.485 1.780 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1627347525 LZQDETTUVQIOEM-UHFFFAOYSA-N 421.339 1.876 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)SCC(=O)N2 1632543446 LMQPPVAXWDMXHF-LLVKDONJSA-N 416.484 1.908 30 10 HDEE C#CCN(CC(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1)C(=O)OC(C)(C)C 1632821050 CGKVXKGLMPFQGH-VQTJNVASSA-N 413.518 1.969 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cc(Cl)cc3ccccc23)CC1 1632966386 OSTCGCCAPAWSFR-UHFFFAOYSA-N 405.907 1.648 30 10 HDEE CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1633455984 RYKKCGNPJJPJSH-DNZUHHBVSA-N 408.499 1.959 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1633469374 DFLBSSGOZHXWJL-AWEZNQCLSA-N 400.298 1.403 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCCO1 1634469024 CIPJSLLBVUKDHR-ICSRJNTNSA-N 404.474 1.961 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1635757733 KCVZWHIKBLNVJR-SFHVURJKSA-N 424.523 1.714 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)NC1CCN(c2ccccc2C#N)CC1 1637449032 CSSINRIOINAGDK-UHFFFAOYSA-N 406.450 1.100 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(CN3CCNC3=O)cc2)CC1 1637715001 ZTFNNBPHVRUYRY-UHFFFAOYSA-N 419.489 1.510 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)c1 1637809025 SINVNVWQNLEQAP-QGZVFWFLSA-N 402.476 1.045 30 10 HDEE COc1ccc([C@H](CO)CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1638763085 DGPGDLKIYJZKIX-SFHVURJKSA-N 402.472 1.374 30 10 HDEE CCCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(C)cc1 1641033566 DSIREZOKPCSBCX-UHFFFAOYSA-N 406.446 1.697 30 10 HDEE COC(=O)C1CC2(C1)CN([C@@H](C)C(=O)NC1(C#N)CCC1)C[C@@H]2C(=O)OC(C)(C)C 1644460390 CSJSFGZKWGQWBG-SDMXJPDVSA-N 419.522 1.780 30 10 HDEE COC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)Oc1ccccc1 1644651196 BVSINXHUHMPNPS-GOSISDBHSA-N 416.455 1.210 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1649116391 VTRIHQUNCAMKIZ-UHFFFAOYSA-N 420.874 1.970 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1656149296 IBZKFWDSTQPBGM-PBHICJAKSA-N 415.537 1.190 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)CC1 1659417152 GHCFZOBLCLBDGK-WUZYXKQASA-N 419.570 1.668 30 10 HDEE C=CCN(C(=O)Nc1cc(C)c(S(N)(=O)=O)cc1C)[C@H]1CCS(=O)(=O)C1 1664564359 CPEWQGWASUMDLJ-ZDUSSCGKSA-N 401.510 1.158 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 1666603636 GVQYQXGSFVKKHN-AWEZNQCLSA-N 418.562 1.017 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C1CCOCC1 1670502678 UOJDVBXZEIZASH-ZDUSSCGKSA-N 416.293 1.942 30 10 HDEE CC(C)(CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@]1(O)CCCOC1 1678168407 FTCZBXFNJAOFTA-NRFANRHFSA-N 401.511 1.789 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 1679365920 RMAHXDPPVMICTR-HUUCEWRRSA-N 403.545 1.780 30 10 HDEE C#CCOc1ccc(CNC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)cc1 1681014654 VLKDURYIBMJCQH-UHFFFAOYSA-N 407.536 1.948 30 10 HDEE C#C[C@H](NC(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1)[C@H]1CCCO1 1681594120 YMGQCAUEFGNZCP-AYOQOUSVSA-N 405.520 1.795 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1)C1CCOCC1 1684029262 DIHGYJMQZPFZGX-LYBXBRPPSA-N 404.555 1.437 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689988718 VBQYBGOFOPTYOY-GOEBONIOSA-N 407.540 1.087 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC)C(=O)C1 1690243798 PRKWTMJJORPIHP-APWZRJJASA-N 413.526 1.718 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C)C1CC1 1690549483 DSJBAQFNUITBGP-UHFFFAOYSA-N 409.556 1.769 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)C1 1690700510 TVQMXGGJYRBEEX-BRWVUGGUSA-N 408.524 1.307 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(O)cc1 1692774489 HCEYMMWGEIYPNF-CQSZACIVSA-N 418.523 1.577 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1noc2c1CCCC2 1698172429 WVNAPOASEMIBIK-GJZGRUSLSA-N 416.482 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCn1cc(Br)cn1 1705476339 XPGANOOFWRFDLR-LBPRGKRZSA-N 408.304 1.533 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccco1 1705486227 ZJSMKHJZHGNYTO-YCRPNKLZSA-N 418.461 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1705487028 QJHILFPPYCHAHY-AWEZNQCLSA-N 417.491 1.167 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705537526 JBAHGUMTOGFTFD-INIZCTEOSA-N 410.478 1.493 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1705604007 CPZCIUUARFJKQA-GUYCJALGSA-N 411.553 1.317 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705664631 WAENZFOZKBKUOQ-CABCVRRESA-N 419.576 1.843 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCO[C@H]1C 1705666466 ABKSACWLDPOKQC-IWMITWMQSA-N 403.527 1.729 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1705701300 AHIDOGHPHDJMCB-SJLPKXTDSA-N 411.510 1.783 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1705736957 HCMSYPIFDAWOEB-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccccc2)CC1 1705901425 LEZBXGUJNMKGBT-GOSISDBHSA-N 408.506 1.915 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nccs2)C1 1705916731 RBZFLPAIVWVUHV-QWHCGFSZSA-N 412.541 1.174 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCC1CC1 1706621779 HFUNVYFNJNCNTM-OAHLLOKOSA-N 423.525 1.593 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 1708532875 VJHJJWHXSNAQHQ-OWCLPIDISA-N 423.525 1.447 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1710986114 WRDCWQBUFDYLBC-IXDOHACOSA-N 407.478 1.061 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)c(OC)n1 1711832805 DBOLGNQEGBAEHK-ZDUSSCGKSA-N 401.471 1.473 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC=CCC3)n2CC2(O)CCS(=O)(=O)CC2)cc1 1712879207 SAQABJPUZNABHF-UHFFFAOYSA-N 413.503 1.523 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OCC)c1 1722278577 RCAWBUPLZSNCCN-CVEARBPZSA-N 419.551 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1722280228 VUAKWGBRWVCMLB-CABCVRRESA-N 420.539 1.578 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN(CC)CC)C1 1722332253 HAZNNCKYGJAFAA-ZWKOTPCHSA-N 407.584 1.762 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(OCCO)c(OC)c1 1722387618 ITISYCDGVWUZRC-LJQANCHMSA-N 410.474 1.630 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2CCOCC2)CC1 1722432773 DPDQXNMXPWNLTF-JOCHJYFZSA-N 417.554 1.501 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1722618850 VYTLECOYQHQAAA-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1722631766 WIFQGBYQTKQXLI-CVEARBPZSA-N 418.567 1.962 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722642211 USMVGPBXTWQPKE-IBGZPJMESA-N 411.554 1.829 30 10 HDEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1722650163 QARVEAVFCNYTDJ-UHFFFAOYSA-N 409.538 1.967 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1723777234 CALMNTDBJJYSDT-HNNXBMFYSA-N 411.514 1.505 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)COCCO1 1724040039 KTTBRPYSRZUPIO-NHCUHLMSSA-N 410.478 1.324 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1729125229 UFMSLURURWBYQG-HZPDHXFCSA-N 409.556 1.983 30 10 HDEE CO[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1729832282 AMCSIDFYQHMXHX-MRXNPFEDSA-N 406.494 1.912 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC[C@@H]1C 1730406749 NQDUHCBAVQNSIQ-KXBFYZLASA-N 422.493 1.767 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740616820 HPHDFDLGRDLVNM-IRXDYDNUSA-N 407.565 1.578 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740625020 CKWBNLIEDHZUKK-QGZVFWFLSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccs1)N(C)C 1740629362 KVPGYMYVSFESFZ-QGZVFWFLSA-N 410.547 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)CC 1740651006 WBMYKPMHUNAXAY-PMERELPUSA-N 422.518 1.152 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(-n2cccn2)c1 1740655959 GWPJCTKTNHYDQY-IBGZPJMESA-N 401.474 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740683859 QBFVJUZSNUYURN-RTBURBONSA-N 412.538 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)nc1 1740685638 IZGLMHPXJFPOIM-QGZVFWFLSA-N 403.508 1.018 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@H]1C 1740688894 WNILGOZFUSEFSL-MBSDFSHPSA-N 423.517 1.907 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CC)CCCC2)CC1 1740695982 IKUPCOQFQKRRLD-GOSISDBHSA-N 419.595 1.906 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCCCN2CCCC2)CC1 1740696283 PTQQSPMXLYLSKM-FQEVSTJZSA-N 400.571 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(CC)c2)CC1 1740709185 BYQMURIEWVETMV-GOSISDBHSA-N 411.510 1.360 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740718511 PUXSZPAKMDZBBM-XLSPSMHOSA-N 406.552 1.921 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740759414 CGFWZUPEAIGUDE-CBZIJGRNSA-N 417.510 1.600 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740810293 AXFWANQYXNQRCO-ORAYPTAESA-N 422.917 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(CC(N)=O)CC1 1740956564 MSUJKCJLADPBOK-UHFFFAOYSA-N 410.522 1.902 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741118113 CKYHMBQQKNYTIG-UHFFFAOYSA-N 421.549 1.951 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)nn(C)c1C 1744756013 HGGONZUFMWMBFS-LJQANCHMSA-N 418.505 1.930 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCc1ccn(C)n1 1747186058 FFBBQUYEJAMUIO-UHFFFAOYSA-N 421.509 1.384 30 10 HDEE Cn1cc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cn1 1748015036 BOCAOIAMEMMSNN-MRXNPFEDSA-N 421.465 1.020 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)C[C@H]1O 1748333943 PEWRUVSVMRGUHS-QZTJIDSGSA-N 413.478 1.602 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1COCCO1 1748791110 OWPGQWSDPOTURE-SFHVURJKSA-N 411.510 1.327 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748816927 BAYJVERBCCKJCJ-QZTJIDSGSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(F)(F)Br 1748948288 LANDHUFQIAPMSY-UHFFFAOYSA-N 408.247 1.490 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCC1 1748965273 POEWMNHGCXLLIU-UHFFFAOYSA-N 422.576 1.984 30 10 HDEE COc1ccccc1O[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1749074157 APHWEMWWDPYUSK-DOTOQJQBSA-N 423.477 1.883 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)CC1 1749342675 LPHVQMLPCRZTDB-GOSISDBHSA-N 418.567 1.949 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1749449454 OUCIAFCZOAFCFC-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1749498783 IPCKIFTYXURTRJ-UHFFFAOYSA-N 411.510 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(F)(F)C1 1749660438 PEHRFKYSPRHVTO-UHFFFAOYSA-N 405.405 1.864 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1749721520 MRJOUYNHJSBUHN-UHFFFAOYSA-N 409.478 1.687 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCCO2)CCOC1 1751027851 ZXKUHDNDKMNVDT-MBOZVWFJSA-N 405.499 1.617 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1760171220 IGIWDDDQRQHXBA-ZDUSSCGKSA-N 406.288 1.348 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760195912 LPMOAFDHEVAEPC-LJQANCHMSA-N 418.906 1.221 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nnc(C)s2)CC1 1760268720 WGCDFGZURRXEPA-UHFFFAOYSA-N 424.534 1.458 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760356144 GUZMTAYXIFRUGC-IAGOWNOFSA-N 403.527 1.953 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[S@](=O)C(C)(C)C)C1 1760534777 GEAOPHQLBAAERS-HBIPHATFSA-N 411.572 1.745 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCSC2)C1 1760550014 QEGDQWZSAFYAKA-KXBFYZLASA-N 407.540 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1760555228 AJPAMTFNOLWTME-RDJZCZTQSA-N 420.539 1.458 30 10 HDEE CC[C@]1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1762455137 AUSLNLRRAIWEGI-KWEZKLGQSA-N 414.510 1.935 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766173864 DGXKVWXZCSANDI-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC[C@H]1C 1769092335 YZBYMDIIAXRJJA-PBHICJAKSA-N 403.508 1.723 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCOCC(F)F)CCN1C1CC1 1770747019 DXLRILBLONKTAQ-HOCLYGCPSA-N 410.469 1.630 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1 1771112185 HXJKUPYVESQOIR-INIZCTEOSA-N 409.556 1.983 30 10 HDEE COCCOCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1771275650 TWPHGMYUYXGXLU-UHFFFAOYSA-N 414.514 1.059 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC=CCO2)cc1 1771532472 BJWCTSNWOBXVSO-IBGZPJMESA-N 422.489 1.633 30 10 HDEE COc1ccc(C=NN=C2NC(=O)[C@H](CCOC(C)=O)S2)c(C(=O)O)c1OC 1772727586 SWUKYNHQDKOIJV-LBPRGKRZSA-N 409.420 1.277 30 10 HDEE CN(C)[C@H]1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)C1 1772791211 PHNQEFHEPPRXDA-KBPBESRZSA-N 417.462 1.928 30 10 HDEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1851160799 OTBPYVQVLUJVHS-FQEVSTJZSA-N 412.515 1.367 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)CCCN2CCS(=O)(=O)CC2)c1C#N 1851585547 LBWIMEYBTRZCBD-UHFFFAOYSA-N 407.418 1.075 30 10 HDEE CCN1CCN(CC(=O)Nc2c(-c3ccc(F)cc3)cnc3c(C#N)cnn23)CC1 1852546628 XULSMGZXZCLXSE-UHFFFAOYSA-N 407.453 1.983 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854037907 PPFZDQFOQSSJKA-UHFFFAOYSA-N 418.862 1.588 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cn(C[C@H]4CCCO4)cn3)C(=O)C2)c(F)c1 1854240895 IHIMVCDJVZNHRB-QGZVFWFLSA-N 411.437 1.557 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)cc1 1854259616 GIOQCBQVXNNHMF-OALUTQOASA-N 410.474 1.013 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@H]2CCC(F)(F)C2)C1=O 1854339358 TWCRFOOWTQQZBY-XJKSGUPXSA-N 418.448 1.422 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H]4C[C@H]3C(=O)O4)ccc21 1854458191 GXALDSAUKVJFQN-CJNGLKHVSA-N 404.444 1.147 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C(=O)CN(CCCC#N)c2ccccc21 1854824066 XNIMPEZAWLESAE-KRWDZBQOSA-N 404.492 1.484 30 10 HDEE C[C@H]1CN([C@H](C)CCC#N)c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C1=O 1854894310 IPYIVMBAFURIHC-JKSUJKDBSA-N 418.519 1.730 30 10 HDEE CC(C)(C)c1cc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)nc2ncnn12 1855839322 ACABDDIWIPXDBT-HNNXBMFYSA-N 409.494 1.646 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)c2n1 1856540237 ITFBBSVBSIQDMB-WBVHZDCISA-N 405.458 1.370 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1856787162 DVVPWDKSUMWMSM-UTKZUKDTSA-N 400.454 1.121 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2=O)CC1 1857323371 AFCLPEYGOAWEMW-LJQANCHMSA-N 405.458 1.273 30 10 HDEE CCN1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868781872 BRDXVFYUYPRZSG-QGZVFWFLSA-N 403.552 1.305 30 10 HDEE C#CCOc1cn(CCCN(C)C)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871006051 MTOLSLOGHPIFGL-UHFFFAOYSA-N 422.485 1.650 30 10 HDEE O=c1c(Br)c(N/N=C/c2cccs2)cnn1[C@H]1CCS(=O)(=O)C1 1873526876 AZFVWNZRERUICW-JBZZFUPASA-N 417.310 1.873 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)c(F)c(F)c3)CC2)CC1 1889959770 FGOZQNATDLZAJH-UHFFFAOYSA-N 409.452 1.976 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](Oc3ncnc(CC)c3F)C2)cs1 1891414070 FOTDYHBWRIBNEH-NSHDSACASA-N 405.455 1.844 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)COc3ccc(-n4cnnn4)cc3)C2)c1 1891931476 KYHXOYBNLHBTOW-QGZVFWFLSA-N 419.445 1.625 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CNS(=O)(=O)CC#N)C1 1904864659 FFEHBRRNMAETLP-KRWDZBQOSA-N 408.524 1.551 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(Br)sc2Br)C1 1917141709 VJCJAKGCDKLTEY-UHFFFAOYSA-N 401.101 1.642 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](Oc2cc(Br)cnc2C#N)(C(N)=O)C1 2078082915 QFQCCLCRQOJEAE-INIZCTEOSA-N 411.256 1.959 30 10 HDEE C#CCCN1CC[C@@H](NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139349329 UTMCTVQIMHWQRT-FOIQADDNSA-N 421.494 1.028 30 10 HDEE C[C@@H](O)CN(CCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)OC(C)(C)C 2174784620 PYWIQMKHUAIZHU-GFCCVEGCSA-N 401.460 1.594 30 10 HDEE CC(C)(C)OC(=O)N=c1cc(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)[nH][nH]1 2244545695 AVJORKKOJDFMFC-UHFFFAOYSA-N 404.276 1.933 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820510 PWNFRVOOCNYZFR-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247915606 GKDOEPBTBJYZAW-STQMWFEESA-N 418.303 1.543 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)n1 2255651078 UGDWKNIQRMOJEX-GOSISDBHSA-N 424.354 1.971 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269039858 WUNKFOQAMXHODF-JTQLQIEISA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](CO)[C@H](N)C3)sc2Cl)OC1(C)C 2281969337 LHSVKRRMZZBSHC-ZYHUDNBSSA-N 400.737 1.482 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)CC(F)F 2282304802 PNMGPQFEXQPENF-SNVBAGLBSA-N 411.301 1.650 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310529 VMULMJFFZVJSQO-STQMWFEESA-N 400.375 1.761 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310878 ZRYZHQFBOKVILC-QWHCGFSZSA-N 400.375 1.904 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282313973 SICRLFAIKDCVFT-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)NC2CCC(N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282318432 FTNWGSASTGIRBQ-UHFFFAOYSA-N 400.375 1.904 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCCCS(C)(=O)=O)c2)OC1(C)C 2282343406 PSWUHBSGKNIGPS-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 2282492552 PGTQZMKFOBLSAI-OAHLLOKOSA-N 423.340 1.678 30 10 HDEE C[C@@H]1CN[C@H](C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496477 BMOIBTSNJZYZCA-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CN(CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282500373 KGDPPMFXZOWJFD-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@@H](CN)C2)OC1(C)C 2282505697 HPHFIPRYRHEXMP-OCCSQVGLSA-N 400.375 1.594 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282545214 HIUXUMUYTGTNHJ-DZGCQCFKSA-N 405.304 1.333 30 10 HDEE CN(C)S(=O)(=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642090 IOKWRBIBURWIPU-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282643540 BWUCYGZYJAHGGW-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CCNC(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282830505 VHROPKVUTAGGJM-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCCNC2)OC1(C)C 2282842886 FDYSTGLLBUVTGG-CYBMUJFWSA-N 400.375 1.466 30 10 HDEE CC[C@H](CS(C)(=O)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850008 JXVFMCIRXOZJPP-LLVKDONJSA-N 423.387 1.149 30 10 HDEE C[C@@H]1COC[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282869449 CUPFDOBZLDGCKR-BXUZGUMPSA-N 401.721 1.952 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)ON1C(=O)c2ccccc2C1=O 2297145790 LLZAIXDXRLDGQX-ZNMIVQPWSA-N 402.403 1.908 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCONC(=O)OC(C)(C)C)n1C 2300223239 XBBNFKZWYBRHNU-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2339672187 OLMLLPMQWODKIX-WIYYLYMNSA-N 422.547 1.565 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)C1 2358802802 CXWMQRDUZIFMET-MOXQZVSFSA-N 413.474 1.944 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207866 ATFUFSSJROMJNT-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2365213426 WRAWQNAJCIRSDO-LIRRHRJNSA-N 402.557 1.552 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)CCOCCF 2365578906 AMBLMSCXDIUNNW-UHFFFAOYSA-N 407.338 1.795 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2367783474 HXVQOLXUWGVZQW-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2367786096 GPCHIVFXCMVGTM-VKJFTORMSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367810944 CNSNFVKTQGRACT-OWCLPIDISA-N 400.541 1.306 30 10 HDEE Cn1nc(Br)nc1[C@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2382104042 LKKBIWOJGHRCCE-GHMZBOCLSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 427341627 GILXTUKJNGGMFR-LJQANCHMSA-N 415.556 1.957 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cn(C)nc1C(F)(F)F 439682179 LJHUBCAXSJAOKP-SNVBAGLBSA-N 415.397 1.294 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)CC1 443315077 BWBVHIHGWLCTHF-UHFFFAOYSA-N 411.506 1.773 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 445060818 QPIMQRFHRSUYPP-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 463901877 MEHIYDODJVSNPC-ZBFHGGJFSA-N 421.519 1.805 30 10 HDEE C[C@@]1(c2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 465837273 PIDNOBFTDJMRRP-NRFANRHFSA-N 407.430 1.491 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480523948 KQJYBRVATKBKDY-UHFFFAOYSA-N 413.565 1.770 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1C#N 489115626 HADQHLAJZPHXEQ-UHFFFAOYSA-N 422.532 1.769 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 491239144 JOCJDIHBVSYMAQ-KRWDZBQOSA-N 405.458 1.664 30 10 HDEE COC(=O)C(C)(C)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 492258809 NSGKVMCOVZDLFH-UHFFFAOYSA-N 419.425 1.835 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 492826389 DPSGHLWILQJUBZ-QQXKLLMISA-N 411.458 1.479 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 503623434 CFUAGSZDYLMIAK-UHFFFAOYSA-N 418.519 1.449 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2occc2CS(=O)(=O)c2ccccc2)CC1 503625199 BROVKLBJQYAGDK-UHFFFAOYSA-N 401.444 1.452 30 10 HDEE COc1cccc([C@H]2[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC(=O)N2C2CC2)c1 503628260 MABSHRVRVVTBPB-NQIIRXRSSA-N 410.474 1.332 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)n1 546903596 CAJJKYRKLGAHQV-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553540014 BONVQZPRXZGDKC-YDHLFZDLSA-N 404.442 1.096 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(F)c1 554914929 WCRHHUWNBXKPNQ-UHFFFAOYSA-N 405.448 1.025 30 10 HDEE CC(C)[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 555047185 UJLBZYGRIHPTKZ-SFHVURJKSA-N 412.475 1.393 30 10 HDEE Cn1c(NC[C@@H]2CN(Cc3ccccc3)CC23CCOCC3)c(C#N)c(=O)n(C)c1=O 558974291 YIGVAMNUEILEKM-GOSISDBHSA-N 423.517 1.296 30 10 HDEE CN1C[C@@H]2CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)[C@H]2C1 590010442 ITEXTEQQQKXFAK-RDJZCZTQSA-N 410.478 1.091 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(C#N)c1 611080944 UPQHLKVYYCZOBK-HXUWFJFHSA-N 423.498 1.461 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)c1 680841024 KIZPVXLJBDASPV-KDURUIRLSA-N 420.579 1.439 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3ccc(C#N)cc3)ncnc1-2 729494550 XITBURZGUUQYFW-UHFFFAOYSA-N 415.255 1.605 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C)c(F)c2)c1=O 731493824 IBORQJBUEHUTBF-UHFFFAOYSA-N 400.475 1.876 30 10 HDEE C[C@@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)Nc1sc2c(c1C#N)CCC2 731731767 MDOORWUMRJVVOA-SNVBAGLBSA-N 413.521 1.697 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 732109287 DGZLESXLQQWAKT-MRXNPFEDSA-N 420.535 1.365 30 10 HDEE COc1cc(OC)c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)[nH]c2c1OC 732153067 DWWVQJAMJYGOTN-LVZFUZTISA-N 414.418 1.450 30 10 HDEE Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc12 732153299 GQTBWVFQPQPURE-ZBJSNUHESA-N 416.441 1.985 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1n[nH]c2ccc(Br)cc12 732153898 LYRGXBMXIUSWBY-PEZBUJJGSA-N 404.224 1.582 30 10 HDEE Cn1ccnc1[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1 732440906 CQMCCERCJWVMJF-CWFNNOHCSA-N 412.425 1.474 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 734920543 JOUINNCWKHIYLP-CFLQYTFWSA-N 401.463 1.766 30 10 HDEE C#CCN1CCN(C(=O)CN(CCC)C2CCN(c3cc(C)nc(C)n3)CC2)CC1 748817326 MHEVHPXXTMKLAH-UHFFFAOYSA-N 412.582 1.552 30 10 HDEE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 757295222 STXOFVZWTTZUEZ-DZNGUJDPSA-N 407.517 1.762 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 765901792 WXHNSCUSANGVBT-CXAGYDPISA-N 403.460 1.083 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2ccnc(N(C)C)n2)C1=O 775659621 ZNYPOZGRNRRDQQ-OAHLLOKOSA-N 416.482 1.950 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 781598512 YUINTUGQXSYJFZ-JTQLQIEISA-N 423.372 1.834 30 10 HDEE COc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cnc2c1cnn2C 784065151 ODMRASIIIPQSMD-GFCCVEGCSA-N 400.439 1.562 30 10 HDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1CCCn1ccnn1 784129030 RSQYHNRKTRXDMV-INIZCTEOSA-N 400.508 1.998 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790639948 PCMYRSHYSJKIQA-HNAYVOBHSA-N 415.556 1.872 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccc3nnn(C)c3c2)c(=O)c1C#N 791171771 ZCBRVDAAZWSMIZ-UHFFFAOYSA-N 401.224 1.765 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CCN1C1CC1 793488326 MKGPFRDWOKGWMS-SLFFLAALSA-N 419.485 1.777 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 814339297 JGZZNHRVPKFFHX-GOSISDBHSA-N 405.451 1.868 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCCc2nnnn2-c2ccccc2)c1 918956152 AUDQFUNDRCCECW-UHFFFAOYSA-N 413.459 1.526 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccccc3O)n2N)c1 1084232407 MDZRUNSKYADLJT-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1124841166 DXIYLGVYYIRTIC-PMACEKPBSA-N 404.532 1.989 30 10 HDEE C#C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C1CCOCC1 1131468725 KQKCKWRZUMYZAE-INIZCTEOSA-N 414.321 1.909 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cc1 1134226067 NUZBWRITTBZNRH-UHFFFAOYSA-N 415.475 1.104 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1136764428 ZXAFXTKNKMRSAC-UONOGXRCSA-N 402.517 1.114 30 10 HDEE Cc1ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1137805680 FTCGBWKMICJKPK-AATRIKPKSA-N 422.507 1.608 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nnc(O)o3)C2)s1 1138803824 NDPVIXCDGZVWCH-LLVKDONJSA-N 412.493 1.250 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@]4(CNC(=O)C4)C3)C2)C1 1139541949 YINSABRKOMDWGD-BSJYVJPASA-N 402.495 1.512 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1C 1141495323 BBXXWFAZUYUVDK-HNNXBMFYSA-N 402.472 1.918 30 10 HDEE C=C[C@H](C)ONC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1144589281 KXPZKBBCAPMGGY-SMDDNHRTSA-N 424.928 1.044 30 10 HDEE Cc1c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1148313732 CGUUEDYSMWHBNY-UHFFFAOYSA-N 418.457 1.227 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CC1 1148406551 UNJLYUGIJWPRNH-UHFFFAOYSA-N 406.485 1.855 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCOC1 1159759859 QNGLBNBMNBPZGT-RDJZCZTQSA-N 408.476 1.320 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cc2cnc[nH]2)CC1 1159974103 QVSUYKIOUAEYEJ-UHFFFAOYSA-N 415.519 1.710 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2nn(C)cc2I)c1C#N 1160501493 NKTJDHMGNZBLPT-UHFFFAOYSA-N 413.223 1.024 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC2CCN(CC#N)CC2)cc1 1160753302 YNZBDLIODSIFCJ-GOSISDBHSA-N 402.520 1.705 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 1163989391 APARRPLBGVMKLH-UHFFFAOYSA-N 401.261 1.049 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)c1cccc(OC)c1 1166839623 QCBLXXJLKOTDGR-SFHVURJKSA-N 405.414 1.979 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCc2n[nH]cc2C1 1168520349 FNIDIQNHWFMNRP-UHFFFAOYSA-N 415.519 1.984 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC 1171471139 WOLBXGDBPCBLAM-GFCCVEGCSA-N 409.291 1.896 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)Nc3cnc(OC)c(C#N)c3)cc2)[nH]1 1177480091 GPVWPRAGQCXPNW-UHFFFAOYSA-N 407.386 1.409 30 10 HDEE C#CCN(C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)C1CCN(C)CC1 1178739468 LDBLONPTRJPQMB-UHFFFAOYSA-N 403.527 1.968 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1189756012 SANUYFSHIWPUPL-SJLPKXTDSA-N 416.565 1.776 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)CC1 1195033287 HMIFPVZUDCBFLG-UHFFFAOYSA-N 402.538 1.467 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@@H](Nc3ncccn3)C2)C1 1233853388 PHIOKRJTEQWFPH-RRFJBIMHSA-N 401.471 1.431 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O)nc1=O 1251691818 YHBWGQCOGYSQLC-SFHVURJKSA-N 410.478 1.449 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(Br)c2Cl)C1=O 1276074603 XNAGXWLUGJKQGM-UHFFFAOYSA-N 414.643 1.696 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1286398863 RKCORSJSINFOEY-PMERELPUSA-N 423.542 1.514 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1286406968 AONUWARNNSDYMZ-QGZVFWFLSA-N 422.489 1.337 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC 1286408219 ANMHRCYQYWSQIF-GOSISDBHSA-N 412.515 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1 1286413698 MVCSIIGDAWYPBE-LJQANCHMSA-N 407.474 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC 1286426532 YEXXQCRDEYYIJL-UHFFFAOYSA-N 410.478 1.241 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccccc1O 1286793638 IFLYUHLJCPJBAB-LPHOPBHVSA-N 415.494 1.646 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1286824401 XIONNXXJZRNEMW-PBHICJAKSA-N 412.585 1.938 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1 1287988975 OQMLXTQWQMZSLS-UHFFFAOYSA-N 403.844 1.051 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)COc3ccccc3C#N)CC2)cc1 1288377671 CTJRZSWZUKHSGM-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE N#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccc(F)cc1 1290517299 QMERZISICALIQX-LJQANCHMSA-N 417.462 1.966 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)(F)F 1292133973 MVKIVKKLECRJNV-ZDUSSCGKSA-N 418.420 1.852 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncnn1C(C)(C)C 1293003366 AAXSEEGISZAVPG-UHFFFAOYSA-N 407.482 1.770 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1293066994 YGZGHHQTDHARDP-UHFFFAOYSA-N 406.498 1.506 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC[C@H]1COCCO1 1293114087 RVPXVQDBGADUSP-HOTGVXAUSA-N 412.498 1.023 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1297053614 GWXPARAPTHBNOA-UHFFFAOYSA-N 407.482 1.767 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1299455356 ARODZASUTZUPMN-IERDGZPVSA-N 407.511 1.343 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Cc1cccc(F)c1)n1nnnc1C 1300396333 ONZVUHOOZGRIIH-KRWDZBQOSA-N 401.442 1.708 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC 1300579814 XEDCIMMYMGJDKO-GOSISDBHSA-N 407.474 1.758 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300707222 XFILWYBKBNXEFP-WMZHIEFXSA-N 409.534 1.358 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC)CC1 1300729210 QRRFSVUGPNKLAH-UHFFFAOYSA-N 414.535 1.032 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1300767686 AESWLKJYWRTHAY-UHFFFAOYSA-N 404.517 1.555 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCC)C1 1300780501 RNTBTLNDCGSOKF-SQGPQFPESA-N 422.599 1.612 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1301270058 BCYOEBAWRBEBIF-NHCUHLMSSA-N 403.527 1.952 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C)[C@@H]1C 1301497167 QMRLDNLGWJYYGJ-GJZGRUSLSA-N 421.505 1.729 30 10 HDEE CN(C)C(=O)C1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1306892433 FNLPUKDTDDTQFS-UHFFFAOYSA-N 401.463 1.785 30 10 HDEE C#CCCN(CCOC)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1307956417 SDUNRTZWLJYGHM-UHFFFAOYSA-N 407.536 1.771 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)N2CCN(CCC#N)CC2)c1 1310081193 FAMFKBNZKVORCG-UHFFFAOYSA-N 423.539 1.789 30 10 HDEE C#CCN(C(=O)Nc1nccc(N(CC)C2CCCC2)n1)[C@H]1CCS(=O)(=O)C1 1310701608 AZVCBUDECJGIOP-INIZCTEOSA-N 405.524 1.900 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1 1312036459 OUUFAXOTUMFOKB-IBGZPJMESA-N 405.520 1.633 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2CCO[C@H](c3ccc(F)cc3)C2)c(=O)nc1O 1312467731 BQYNYFCZHYROSQ-HOTGVXAUSA-N 401.398 1.179 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1314345067 SPGDDRQAOOZGDK-KDOFPFPSSA-N 416.448 1.613 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCS(C)(=O)=O 1314911263 FDUPQNKULUSHJZ-UHFFFAOYSA-N 420.539 1.475 30 10 HDEE COC[C@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1)OC 1315802300 GVRYEFGUXXKSBV-OXJNMPFZSA-N 403.458 1.981 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1316263409 IMZAMSRTFFABHW-OAHLLOKOSA-N 401.467 1.975 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccc(F)c(C#N)c2)C1 1352466546 AGUHPBXJRUOLJE-BFUOFWGJSA-N 423.466 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1358893168 PGFPQYWHDUZLTK-IBGZPJMESA-N 408.550 1.799 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358963903 PRGOXPXBQWQHDL-IAGOWNOFSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1358965729 AEEJJLTVBXROPM-CQSZACIVSA-N 424.477 1.497 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C1CC1 1358984339 QUDGQXDHCWLGKL-KRWDZBQOSA-N 405.506 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C(=O)NC 1359097588 QSFJOJCWFCTQMP-UXLLHSPISA-N 401.515 1.478 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359136446 JHRXKEBHLKZDPP-QGZVFWFLSA-N 424.505 1.988 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359221438 BRDNTIZWSDXATE-QGZVFWFLSA-N 416.526 1.367 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1359322316 SZYZHUNPVDPABC-XLIONFOSSA-N 407.584 1.830 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1359322396 VBHPOEGGMFVUDB-RBUKOAKNSA-N 411.506 1.971 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1360247572 BVQRIAOGCDCXDB-GQIGUUNPSA-N 402.499 1.350 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1438145346 APAUBRXJSCQEOS-AZUAARDMSA-N 420.531 1.977 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 1448511894 CFONNIYZOYQQIY-HOCLYGCPSA-N 417.510 1.993 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1)C(=O)OC 1451178963 KFMVEAAAULNILE-KRWDZBQOSA-N 416.474 1.771 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1456192562 FAOQZWHKLMMWMW-VQTJNVASSA-N 400.523 1.471 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)CC1 1467508807 OGXVNZKYSQGPIL-OAHLLOKOSA-N 403.483 1.867 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1468752802 SJBSUKFODVHLHD-WMZOPIPTSA-N 422.551 1.013 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ncc(CC(=O)OCC)s2)cc1 1469082643 HXFMOXVAUHEZEI-UHFFFAOYSA-N 407.473 1.413 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 1469727909 DETWJUSCHKCWFJ-DOMZBBRYSA-N 402.455 1.108 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)cc1 1469799305 ZPDYJFQABDQWIP-FGZHOGPDSA-N 418.497 1.790 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1470238230 OGJWVNSRFXRBEM-IMJJTQAJSA-N 408.499 1.239 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 1470790273 HQFLMORHWJEXPA-UHFFFAOYSA-N 417.491 1.422 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)s1 1472227816 PJZYYDUDHKAYMS-IINYFYTJSA-N 412.455 1.839 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1472389399 YTWVZCFNYYBLFU-IBGZPJMESA-N 424.457 1.903 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC(C)CC2)CCOC1 1502727427 AAOPMNMKXFDAFR-GHTZIAJQSA-N 418.542 1.391 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1507544805 CLZVNPKMBFAZNM-IFXJQAMLSA-N 422.482 1.004 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1507589644 YBPFFFWHBSWGHP-SFHVURJKSA-N 417.535 1.661 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1507656917 OZPXHHYRZHGXIO-UHFFFAOYSA-N 404.536 1.023 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCC(C)CC1 1507703701 YEIJTDHMXLWSFY-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507727084 GRIGZNHEOXTCJK-RBUKOAKNSA-N 415.563 1.737 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1nnn(C)n1 1508020060 KOALYGLBCPNYRD-UHFFFAOYSA-N 409.498 1.223 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1508095175 MPPMRKBNSMFUGD-UHFFFAOYSA-N 402.543 1.795 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1510340531 BXJXDIRHASYEPO-SJORKVTESA-N 404.515 1.359 30 10 HDEE CCCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)C1 1514847193 LOWTXAZQYYBXHQ-SQNIBIBYSA-N 406.531 1.463 30 10 HDEE CNC(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cccc(C#N)c1 1517598709 CGGHAYGFXRAWRX-UHFFFAOYSA-N 406.494 1.784 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2(=O)=O)CC1 1521114671 IDDJMPSQMMKEDQ-OAHLLOKOSA-N 401.496 1.442 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)OC)c1)C(=O)OCC 1535344949 LZIFWKBRZZUUEU-AWEZNQCLSA-N 404.872 1.673 30 10 HDEE N#Cc1csc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)n1 1538825061 WGSATPWEWKJNMM-UHFFFAOYSA-N 407.473 1.656 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1539140006 QFQGPMBIIZDPJL-FQEVSTJZSA-N 418.586 1.459 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)NC1CC1 1539155238 SDKNZLPBKKFSTJ-UHFFFAOYSA-N 415.519 1.477 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539206200 NJEVZIZHGSSETR-AWEZNQCLSA-N 407.462 1.097 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1539370296 UJKVCGGWJLIWBZ-HOTGVXAUSA-N 400.504 1.816 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2([S@](C)=O)CC2)CC1 1539436404 RATMJZZVLXQFMU-LJAQVGFWSA-N 413.547 1.620 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539594223 HXNCGTGBAJJHBC-LBPRGKRZSA-N 409.288 1.537 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539742595 HANVUURWJVRYEK-UHFFFAOYSA-N 415.542 1.513 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CCS(C)(=O)=O 1540134565 UZUZEAYZXCSXGZ-UHFFFAOYSA-N 423.514 1.793 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1541116495 PVUNECHFJAUTDL-GJZGRUSLSA-N 422.530 1.953 30 10 HDEE CC(C)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1544640436 LWBHXXIWRIXPNM-PGVRVYGSSA-N 414.510 1.932 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)c1 1558050122 NVFSGWDFCUHFJM-OALUTQOASA-N 407.536 1.259 30 10 HDEE CN(CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)[C@@H]1CCS(=O)(=O)C1 1558164821 MNWGBANQPDZKPT-OAHLLOKOSA-N 400.350 1.190 30 10 HDEE Cn1c(NC[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)c(C#N)c(=O)n(C)c1=O 1559279492 RUFXHOWTUPETLU-NSHDSACASA-N 413.425 1.260 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C 1561149385 SNQPRDPLCJSMFM-GOSISDBHSA-N 421.544 1.359 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C#N)sc3ccccc23)CC1 1561296730 UWDJHCDVDVLMAD-UHFFFAOYSA-N 416.528 1.219 30 10 HDEE COc1cc(F)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1F 1561379457 IBBYRPRWWBUMNZ-LLVKDONJSA-N 409.418 1.534 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1564269700 PKWGBHNYHXASRR-RTBURBONSA-N 401.463 1.537 30 10 HDEE N#CCCC[C@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1564832740 TYWINVYNUYMSAB-FQEVSTJZSA-N 413.522 1.608 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccncc2OCCCN(C)C)CC1 1564860494 UOWQEPKLBXBHLP-UHFFFAOYSA-N 403.483 1.400 30 10 HDEE C=C(C)C[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OCC 1583520600 LVYVEDNYICPQKF-INIZCTEOSA-N 406.483 1.274 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1cc(C#N)cc(N(C)C)c1 1584124143 UAHFPNNOBOQVSC-UHFFFAOYSA-N 407.474 1.129 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1587555920 KNOVZBHOCUTUQZ-INIZCTEOSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1587926779 HUPAQHKSQSCCBA-UHFFFAOYSA-N 409.450 1.243 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCCCC1 1588672628 FKZYJXJWSLGUQF-UHFFFAOYSA-N 416.570 1.751 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(SC)c2)CC1 1588800730 NSYLEILRECKHCR-UHFFFAOYSA-N 408.535 1.599 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccn(C)n2)CC1 1588876684 FHQZURBVBSLXIK-RTBURBONSA-N 411.554 1.734 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COc3cccc(C)c3)n2CC2(O)CC2)CC1 1588961563 DLEQWNJDFCMZIQ-UHFFFAOYSA-N 423.517 1.656 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1589192027 DUIMXDSCQVZRFP-JOCHJYFZSA-N 407.522 1.496 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589559536 SSPKBKZKEUJLKZ-VIPLHTEESA-N 404.511 1.572 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C)C1 1594624956 CVHUIXPECOSPMK-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCn2ccnc2C1 1595266433 FWHHQDYOQYWOSJ-QGZVFWFLSA-N 413.526 1.612 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)OCO2 1595307843 OFBJPNSINSLGDB-UHFFFAOYSA-N 413.478 1.816 30 10 HDEE C=CCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1595411504 UWOUCGUSQFIRSG-HZSPNIEDSA-N 411.528 1.153 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595545266 UDHADVWSUJKLAD-QGZVFWFLSA-N 418.542 1.167 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCS(=O)CC1 1595556519 WQEJEBSHDKMBBT-UHFFFAOYSA-N 409.462 1.018 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(O)CCOCC2)C1 1595714672 PHRYNSIRPJJXQQ-KRWDZBQOSA-N 402.499 1.392 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595821762 CSEVHCPASUYRMA-KRWDZBQOSA-N 421.567 1.423 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ncc(C(=O)OC)s2)cc1 1598600322 AIEPVVPEOZBLDL-UHFFFAOYSA-N 409.489 1.367 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1611331073 HIUXYTUGPFBOPH-NSHDSACASA-N 423.399 1.195 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1615096655 VTKITENTHXJYFD-UHFFFAOYSA-N 406.450 1.286 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1615448554 ZCXMDJSIQWFBGQ-OAHLLOKOSA-N 416.950 1.691 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CCCc3ccccc3)n2CCCn2cnnn2)C1 1620348106 LQXGWDWMQVQTAB-FQEVSTJZSA-N 409.473 1.972 30 10 HDEE C#CCO[C@H](C)C(=O)NC[C@H](O)COc1ccc(I)cc1 1622536413 NCURULIWZCZDAK-YPMHNXCESA-N 403.216 1.185 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(C)(C)CO 1627656942 UPQYRJVJTBUGGY-OAHLLOKOSA-N 408.455 1.346 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1632307077 AELLNSFTHAMVML-OAGGEKHMSA-N 402.582 1.522 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc2ccc(F)cc12 1632394009 HBCLIUBCZOSCCZ-LLVKDONJSA-N 402.407 1.822 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@@H](N2CCOCC2)C1(C)C 1640584019 GBOSZJULHPOLDT-RBUKOAKNSA-N 410.522 1.766 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CC1 1641041234 TZRLBXHKVREMAJ-UHFFFAOYSA-N 411.911 1.122 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](n2ccnn2)CC1 1641501359 GWDIHEDLJXQRRT-GOEBONIOSA-N 402.480 1.070 30 10 HDEE Cc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)nn1-c1cccc(C#N)c1 1641670160 NSKAELNUPDUAST-QFIPXVFZSA-N 409.490 1.398 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 1644205317 KLZLNWYVZZTSKK-UHFFFAOYSA-N 414.506 1.115 30 10 HDEE N#Cc1ccc(NCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)nc1 1644446679 HQBNOEYWSSPTFE-QFIPXVFZSA-N 405.458 1.395 30 10 HDEE C[C@H](C(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1645863782 SAIOZDHZHFYILU-CABCVRRESA-N 418.498 1.633 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1647752591 VWRNZGAQBWBRRK-HXUWFJFHSA-N 400.523 1.660 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)c(=O)nc1O 1648028024 MTCQQJIDFVFEDD-SNVBAGLBSA-N 408.340 1.036 30 10 HDEE N#Cc1ccc([C@@H]2CN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CCO2)cc1 1654935419 AUZVLDLDEZIAJZ-SFHVURJKSA-N 400.460 1.218 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(C2CCCC2)c1C 1655709107 NWSDIIKDMUMIPB-LJQANCHMSA-N 413.522 1.915 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)c(=O)n1C 1656778600 GHMRQKUNIARXPX-UHFFFAOYSA-N 424.457 1.084 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)n1 1662885054 HXBMCMPDOKXMPC-UHFFFAOYSA-N 411.466 1.499 30 10 HDEE CO[C@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1 1682631665 VSBKZWWCCHLLCF-RHSMWYFYSA-N 415.450 1.689 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1683693743 MCFRDZASPUUMPL-MRXNPFEDSA-N 413.569 1.716 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1683735700 PLANBRKUHDYAMA-AWEZNQCLSA-N 411.480 1.385 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)CC1 1684014988 PZBMANFRMOZMJS-UHFFFAOYSA-N 422.507 1.066 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCS(=O)(=O)C2CC2)CC1 1686793008 BNWIMVXWEYWNDC-UHFFFAOYSA-N 413.503 1.515 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1689847293 WSOUTERISQPJLF-UZLBHIALSA-N 415.567 1.344 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1690028194 NILFZNMATOIMBW-QFIPXVFZSA-N 409.490 1.005 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690181225 QRVSSQYAIUAOOX-JKSUJKDBSA-N 407.540 1.007 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690485469 UHIFZLQVWMMGOB-QZTJIDSGSA-N 423.583 1.305 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@]1(OC(C)C)CCOC1 1690677218 RIBVOGFXPYOEBO-MRUHUIDDSA-N 403.527 1.713 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1695692579 BUEMXJCJTCMYGA-ZPHPHTNESA-N 412.498 1.688 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCC(O)CC1 1698227371 DVEKHZMQIAFIST-LNLFQRSKSA-N 420.558 1.587 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(C)CN(C2CC2)C1=O 1698228431 WCZBCUMWKRCQNQ-WLNNIECUSA-N 416.526 1.751 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1705494942 INJXUDCBHRUXAV-JYJNAYRXSA-N 400.504 1.814 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1705587050 GGCHHZVRVJVMRS-QHCPKHFHSA-N 423.517 1.395 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1 1705628429 GOOLIQKBHRIZEX-IBGZPJMESA-N 416.547 1.899 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)[C@@H](C)CC)CC1 1705632449 QKERMPQRIOEJSB-SFHVURJKSA-N 424.553 1.411 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cccc(CO)c2)CC1 1705647535 GHUROOXFWQIWOG-UHFFFAOYSA-N 409.534 1.983 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)(C)C)CC1 1705660237 QGBMSVKBCFMRHJ-INIZCTEOSA-N 404.584 1.906 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705686192 RYFNSICLLYFADI-XJFOESAGSA-N 410.316 1.999 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705807116 TYUWAAIPRFFQHH-LSDHHAIUSA-N 410.544 1.056 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705819276 IEGAYGRKFGDFGZ-PMPSAXMXSA-N 407.540 1.109 30 10 HDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC)C1CC1 1705850455 UXBNRDDENSUTJM-UHFFFAOYSA-N 406.468 1.557 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(CCOC)c2)C1 1705925870 VLLIAMRUSVIQMI-QZTJIDSGSA-N 402.499 1.455 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705939670 JGQXOYVNSKPPHL-HXUWFJFHSA-N 422.599 1.637 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCS2(=O)=O)CC1 1706937301 IKHRVZUQCUPSNO-INIZCTEOSA-N 422.555 1.338 30 10 HDEE CCOC1CC(O)(Cn2c(CC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)C1 1710603563 AAMNDDYHZCHJSF-UHFFFAOYSA-N 411.510 1.364 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C[C@H]1C 1712476791 AULMPGXVOCEUIX-APWZRJJASA-N 416.501 1.958 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722335471 NHMRFROHFJUAGZ-QGZVFWFLSA-N 405.506 1.892 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722371454 WOQJZKLRQPVDRN-ARFHVFGLSA-N 410.565 1.509 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1722418913 HVIFKJCJTKSTJT-LAUBAEHRSA-N 419.526 1.231 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCN(C)CCOC)CC1 1722433175 OBVCSDQFIAHLMY-UHFFFAOYSA-N 416.957 1.932 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCn2cc(Br)cn2)CC1 1722436551 BGRRYOAWTJOCMV-UHFFFAOYSA-N 420.359 1.891 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C2CC2)CC1 1722446746 AFDXURCIRQVWHQ-UHFFFAOYSA-N 414.554 1.359 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1722451827 ORINUSKXEFAJAR-LSDHHAIUSA-N 415.585 1.116 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@@H](C)OC)n1 1722631506 OSIMPJLFKNFTBG-NWDGAFQWSA-N 414.557 1.723 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C1CCC(NC(C)=O)CC1 1722696306 IKIOBUMDFWOOTC-UHFFFAOYSA-N 413.526 1.469 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCS(=O)CC1 1722701675 ZLTHJCASXYTVFR-UHFFFAOYSA-N 412.519 1.221 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1722715646 UWTFEZJTBVIZJE-QGZVFWFLSA-N 417.535 1.827 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1722737096 SQRRGLDKUATNHR-CQSZACIVSA-N 415.523 1.512 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1730763465 FOLLFXDCARTAEF-HZPDHXFCSA-N 411.528 1.321 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1730844695 SXIRBAXMSRKKLI-JXXFODFXSA-N 417.489 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)C(=O)NCC 1740629238 GROJRVFAAFTYNW-UHFFFAOYSA-N 407.478 1.161 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(Cl)cc3)n2CC(=O)N(C)C)CC1 1740699567 LQKSKNHKOFCXOG-UHFFFAOYSA-N 416.913 1.354 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1740762086 QUGRFSIZZSRBAN-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1740788024 OGSQAUBNJJFJED-HZPDHXFCSA-N 415.560 1.342 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1740876144 DJGYJRRNSVEHFA-QLFBSQMISA-N 401.508 1.371 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740995069 YPNYEPQBMPZKEL-JKSUJKDBSA-N 407.540 1.079 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1741123589 GVUCYMDUKZWHSM-INIZCTEOSA-N 403.531 1.221 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1741687668 PRTRWDPFMQLBFQ-MSOLQXFVSA-N 421.505 1.446 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1744713328 UFAHBYLECIJHLA-FQEVSTJZSA-N 410.522 1.826 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1)[C@@H]1CCOC1 1747655982 DSUUEWMIWKUPOJ-MJGOQNOKSA-N 413.478 1.759 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1=O 1748046732 CUPSOCROBUKXHU-UXHICEINSA-N 416.432 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1748646651 BMXZQNNYBUWARQ-KPZWWZAWSA-N 419.327 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1748685207 VSLJNHMUSQUWOF-DOTOQJQBSA-N 419.555 1.022 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748713657 CXBBQNVWUZPFFZ-ROUUACIJSA-N 420.521 1.962 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748817575 MSMUVXCHUDDDFA-QZTJIDSGSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NC(C)C 1748897183 WKZXVMWJFWECKL-UHFFFAOYSA-N 403.490 1.504 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NC(C)(C)C 1748900479 DPZXNAHHGCZPEU-UHFFFAOYSA-N 409.538 1.907 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(C)(=O)=O 1748934665 DBZPSVVLWSDQQG-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC)C1 1749134973 AUYALYPFSKMGAG-HLIPFELVSA-N 419.526 1.233 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749459457 KLPVBLAIFTXXDH-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCOCC1 1749726693 ATKNVHHVOKKWOC-UHFFFAOYSA-N 413.503 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760114514 NYMIOBGBOFKQLR-XYJFISCASA-N 406.490 1.740 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCCS1(=O)=O 1760194177 CRMSZVVGGBFGJJ-IRXDYDNUSA-N 408.524 1.042 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1760499454 ZAKFVBZCURIRJK-UHFFFAOYSA-N 421.509 1.207 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1760502765 KYENHMJJWMZJRS-MRXNPFEDSA-N 402.499 1.861 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1760514873 NNESENURCDSRDT-HOTGVXAUSA-N 418.542 1.456 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1760514937 OZCLIUZEVWOOIW-OAHLLOKOSA-N 414.510 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760553360 AZAXNNDGVGQXHK-ARFHVFGLSA-N 418.523 1.055 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760565186 QDXAMTPCSOSXTM-CABCVRRESA-N 406.556 1.643 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1767571238 DILZJXDJIIINRL-CYBMUJFWSA-N 406.437 1.917 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1768286971 HSTLAICIQYWHGW-SFHVURJKSA-N 421.502 1.035 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1=O 1769895804 ADMLAZPVJRWAPM-UHFFFAOYSA-N 410.478 1.027 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1770939928 BWJKOMLPSYUQGY-IPMKNSEASA-N 413.478 1.208 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1771135542 CINYYNUVFDYREL-JOCHJYFZSA-N 423.521 1.063 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1771532557 FSXYJKXJDDUWCY-BEFAXECRSA-N 414.466 1.693 30 10 HDEE C#CCC(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1850895022 IEBIDSNJJVAQLE-UHFFFAOYSA-N 408.462 1.233 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N([C@@H]4CCc5ccccc54)C3)CC2)n1 1851294463 TZRPCEZNKOCVNP-YLJYHZDGSA-N 416.485 1.533 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccc3nccnc3n2)cc1 1852195832 BCVTUMUXBPUOBQ-SFHVURJKSA-N 419.441 1.833 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C[C@H]([C@@H]1CC=CCC1)N1Cc2ccccc2C1=O 1853323815 PINHIOVBHBMWBE-YLJYHZDGSA-N 414.527 1.922 30 10 HDEE COC(=O)C1=C(NC(=O)[C@H]2COCCO2)c2ccccc2[C@@]1(C#N)c1ccccc1 1853332263 SUHNGMJNTCBVRQ-WZONZLPQSA-N 404.422 1.926 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(CC4CCOCC4)CC3)CC2=O)CC1=O 1853642084 UKNZJKHDOPLHNA-UXHICEINSA-N 417.550 1.535 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccccc2OC)C1=O 1853682577 MXOJBYNJZJSEFO-IRXDYDNUSA-N 415.490 1.310 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc43)C2=O)C1 1854270841 BZEKQMDZMDEDFD-AZUAARDMSA-N 402.454 1.874 30 10 HDEE C=CCN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@H]1C 1854272089 BAXOWUIFWSEZHJ-SJORKVTESA-N 422.551 1.037 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)CN3CCC(F)(F)CC3)CO2)cc1 1854580413 XQYWAIZGQSHFQA-AWEZNQCLSA-N 415.418 1.137 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625770 APCZZNWXQAVWOQ-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC[C@H](Cn4nccn4)C3)CCC2=O)cc1 1854691735 UTNSYZSUNCYEAQ-RBUKOAKNSA-N 406.490 1.941 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1 1854740671 ZNASOLKSBNWTBH-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3cccnc3Cl)C(=O)C2)C1 1854936116 XZKLDNLLMGUMIZ-DOTOQJQBSA-N 403.914 1.715 30 10 HDEE CC1(C)CC[C@H](N2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)C1=O 1854982349 XROUGFFOBCZZSG-ROUUACIJSA-N 409.490 1.070 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1855083108 LSQRIZITTGOEEQ-IRXDYDNUSA-N 416.547 1.833 30 10 HDEE Cc1cc(N(C)C)nc2c1N([C@H]1CCN(C(=O)c3ccnc(C#N)c3)C1=O)CCC2 1855411585 IIXQEZBSERJRIF-SFHVURJKSA-N 404.474 1.917 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(C[C@@H]3COCCO3)C3(CCCCC3)C2=O)cc1 1855656968 UCLLWJAIDWSWTD-HXUWFJFHSA-N 411.502 1.890 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855735486 MWKOHZFMYVTJFX-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nnn(C)c2C(F)F)CCN1CCOc1ccc(C#N)cc1 1855957587 WBWSZRYTCPBQIX-LBPRGKRZSA-N 418.404 1.376 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855988430 YDUUNIDJPGXXQT-MRXNPFEDSA-N 424.910 1.078 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCC(N4CCN(C)C4=O)CC3)C2=O)cc1C#N 1857112087 QEMQPRJKOBMBOP-LJQANCHMSA-N 409.490 1.440 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)COc3ccc4c(c3)OCO4)C1)CC2 1857213688 SVMODDOTZVHJBV-JKSUJKDBSA-N 411.458 1.795 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccnc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857299811 URUQMTNCTUKBQP-YJBOKZPZSA-N 407.474 1.337 30 10 HDEE CC(C)NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C#N)c2)cc1 1858976914 BNUXOFQNVVGIBE-UHFFFAOYSA-N 414.487 1.927 30 10 HDEE CN1CCC(C(=O)Nc2nnc(CCC(=O)Nc3ccccc3C#N)c(O)n2)CC1 1859093000 GOAQYBZCJQIYTC-UHFFFAOYSA-N 409.450 1.300 30 10 HDEE COc1ccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC 1860734263 QVVGQKCHGSVADR-WEVVVXLNSA-N 418.471 1.292 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc2c[nH]nc2c1 1871034422 OMYZEZYDMYCDPF-UHFFFAOYSA-N 423.473 1.760 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1CCC 1873549163 AORCZVQYWGQTIP-UHFFFAOYSA-N 412.538 1.770 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccco1 1874433964 GWMCTLCDSJTPIM-KEBDBYFISA-N 404.496 1.930 30 10 HDEE COCCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)ccc1F 1874470370 AZLVIXPMUCRAAQ-CNHKJKLMSA-N 416.276 1.828 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccnc1 1874470403 CSDCZUFYRXCSLZ-SRZZPIQSSA-N 400.464 1.746 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2cccnc2)CC1 1889620881 OWGAQJNNSNXUDE-VQTJNVASSA-N 413.547 1.581 30 10 HDEE CCN(CC)c1cccc(OCC#CCNS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1 1891457669 JGJPQYSKXTXFRT-SFHVURJKSA-N 414.549 1.022 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261025 KDKQVNVNXUFBGB-ARGWCVDVSA-N 410.320 1.957 30 10 HDEE Cn1ncc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1Br 2074368308 RCLBLXGIFGVHAJ-AAEUAGOBSA-N 413.320 1.627 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2118162534 KFORBVBFKGKNLP-GOSISDBHSA-N 415.471 1.874 30 10 HDEE COC(=O)[C@@H](CCNS(=O)(=O)c1ccc(C#N)s1)NC(=O)OC(C)(C)C 2118172709 XJPAVSZHIUCGRY-LLVKDONJSA-N 403.482 1.354 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174781048 BJKPAHBDPJDTIO-CABCVRRESA-N 401.529 1.872 30 10 HDEE C[C@@H](O)CN(CCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)OC(C)(C)C 2174783280 ANSATLNZFLTPEX-GFCCVEGCSA-N 401.460 1.594 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1ncc(C#N)cc1Cl 2183486311 FWZMRIPOAKBVJV-UHFFFAOYSA-N 412.899 1.831 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197505208 JONVRIMZCAIOIX-AWEZNQCLSA-N 401.529 1.713 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2243389371 SNPVYRVFHMJFQR-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC(CO)C1 2243687366 WYQQGZJKPLEFGU-UHFFFAOYSA-N 408.304 1.403 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)CO1 2247859918 YXKCYWPRPOHLJS-HNNXBMFYSA-N 419.287 1.662 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248402954 AHVMKBSVMISYCI-VFNWGFHPSA-N 420.315 1.763 30 10 HDEE CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315312 MHESPUCSPVLTEO-LLVKDONJSA-N 402.347 1.159 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cncnc3)cc2Cl)OC1(C)C 2282318060 XYGIECGXZBMDRM-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCC[C@@H]3O)ccc2Cl)OC1(C)C 2282495709 QEGYNXLONLTFMH-GJZGRUSLSA-N 401.721 1.831 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282539134 PNBQDYHZNRYXNC-VXGBXAGGSA-N 401.359 1.941 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CCCS(=O)(=O)CC2)OC1(C)C 2282627253 HBEFSOUAUCMJTR-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4[C@H](O)C[C@H]43)cc2Cl)OC1(C)C 2282830257 QZQRCHIVPFOPQH-MVWJERBFSA-N 419.761 1.845 30 10 HDEE COCC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282830316 RTRYZJPDCWYDSN-UHFFFAOYSA-N 401.721 1.906 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCCC(N)=O)ccc2Cl)OC1(C)C 2282866867 QBCMAPQHGLEHNR-UHFFFAOYSA-N 402.709 1.183 30 10 HDEE CN(C)CCCN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882262 JBPVSHHKUCLCBX-UHFFFAOYSA-N 402.391 1.761 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NO[C@@H](C(=O)O)C3CC3)c2)OC1(C)C 2284415494 OPORCNFJHAAMIV-GFCCVEGCSA-N 403.287 1.120 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2300197606 NUPVVFFHHJJYEV-UHFFFAOYSA-N 419.331 1.851 30 10 HDEE Cc1nc(Br)c(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)n1C 2362439027 AXMFXRCEOQBXJQ-UHFFFAOYSA-N 422.092 1.833 30 10 HDEE COC1CN(CCNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2365544455 KXRGXTBZUGOIFU-UHFFFAOYSA-N 400.737 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)[C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2367090110 BLLKIUSTAXEZBI-SPYBWZPUSA-N 402.557 1.681 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCCOC)NC(=O)OC(C)(C)C 2367789221 QZPAPZXGGKKYLM-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367803425 KUFVTNIPULBINO-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)([C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367811849 MRMNPSONYFFPBW-DAYGRLMNSA-N 400.541 1.292 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819815 YYTBMUABDJROTJ-LJHODMEESA-N 400.541 1.435 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2372804310 MSWKODIVNODLAH-KBXCAEBGSA-N 404.529 1.810 30 10 HDEE O=C(Cn1c(=O)[nH]c2ccccc2c1=O)NCC#Cc1cccc(C(F)(F)F)c1 30675116 CYSSRRWUFQTPIV-UHFFFAOYSA-N 401.344 1.877 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)cn1 59830073 JUEDSCMUSDGJDL-AWQFTUOYSA-N 412.479 1.804 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)cc1C 90743827 STPODGXJRMFABX-SFHVURJKSA-N 419.481 1.954 30 10 HDEE COc1cc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)ccc1O 101441619 OFCAABSFGXUCHD-XJKSGUPXSA-N 409.446 1.944 30 10 HDEE CCCCN(/C=N/c1nc(=O)c2ncn([C@H]3C[C@H](O)[C@@H](CO)O3)c2[nH]1)CCCC 136652591 FMFVXARCFDUGAM-AOHMBMNCSA-N 406.487 1.322 30 10 HDEE COc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc([N+](=O)[O-])c1OC(C)C 169897819 FIPFJWUJUZFLDD-OCKHKDLRSA-N 405.411 1.763 30 10 HDEE Cc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254515698 LEAQTUSPOBBPEO-LSDHHAIUSA-N 410.517 1.847 30 10 HDEE CON=C(C(=O)NN1CC(=O)S[C@H]1c1ccco1)c1csc(NC(C)=O)c1 254827118 XRGNWWQJDIZTHM-INIZCTEOSA-N 408.461 1.955 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)CCS(C)(=O)=O)OC1(C)C 405041507 PGDCROCYVSWSMS-UHFFFAOYSA-N 423.749 1.426 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 434462562 GRWLJHWKNFLUKA-ZBFHGGJFSA-N 423.560 1.786 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3ccc4c(c3)CCCO4)n2)cc1 438996049 DVBWBJOMQKOIEX-UHFFFAOYSA-N 402.414 2.100 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 460541829 BDKVQAKWZGFROF-CABCVRRESA-N 415.585 1.519 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)CC1 471680334 PTIXIWHZNGANQH-UHFFFAOYSA-N 421.505 1.561 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1C 481975558 GVHZHQOULSHYBU-UHFFFAOYSA-N 407.476 1.775 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4ccc(F)c(F)c4C3)CC2)o1 487155728 JBZHJHMZRFODHX-UHFFFAOYSA-N 401.417 1.840 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1C#N 489135260 PHGWSVQCORVSBI-UHFFFAOYSA-N 402.451 1.984 30 10 HDEE C=CCC[C@@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 489640776 BKIQPMUUIOKIMS-LJQANCHMSA-N 407.536 1.458 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)N3CCOCC3)c2C#N)C1 526841199 FQQJFZGZXZFPHE-MUDIAHQHSA-N 409.533 1.291 30 10 HDEE Cc1c(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cccc1N(C)C 538377103 GCPCFXDEBPFISJ-AWEZNQCLSA-N 407.478 1.399 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)cc1 543381274 PSANGSMASQAIJK-OAQYLSRUSA-N 418.501 1.976 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)n1 544887806 ANTYAKGBUFJPRK-IBGZPJMESA-N 404.474 1.980 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 549234171 HYBDNYAJAZCBIN-WMZOPIPTSA-N 408.520 1.448 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1-n1cccn1 555059331 LSCOHWDOAQJAHA-HNNXBMFYSA-N 409.471 1.900 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)cc2C1=O 558917671 SHIAGVVNBRHIAX-UHFFFAOYSA-N 417.487 1.109 30 10 HDEE C=CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 570141729 SPKGYVMISMCPRI-ZDUSSCGKSA-N 402.494 1.490 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(CO)Cc3ccccc3C2)CC1 581505921 IXFSUBWECGWBQK-JOCHJYFZSA-N 422.504 1.654 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(OC)c(OC)c3)N2N1 588226956 YTGRQNNVWFCWBQ-IBGZPJMESA-N 408.483 1.766 30 10 HDEE CN1CCN(C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)c2ccccc2)CC1 609134557 XUXRBHQKKCKGMP-FQEVSTJZSA-N 402.495 1.964 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CC(=O)N(C)C1(C#N)CCCCC1 609451007 GZLDIIQNTKELKE-FQEVSTJZSA-N 408.506 1.801 30 10 HDEE COC(=O)[C@@H]1CCCCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 611579716 FKAQNGDUAIDGFY-SJORKVTESA-N 412.446 1.707 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 613101937 CGWLGSOQXZAOOV-UHFFFAOYSA-N 403.377 1.713 30 10 HDEE CO[C@@H](O)C(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 675083800 UCCNAQVBEVBWAA-AMDGUBCUSA-N 422.493 1.868 30 10 HDEE in-vitro C=CCN1C(=O)c2ccc(C(=O)Oc3ccc(S(=O)(=O)N(C)C)cc3)cc2C1=O 728001766 DUTPOJPYHYODQK-UHFFFAOYSA-N 414.439 1.938 30 10 HDEE C#CCN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)[C@@H]1CCS(=O)(=O)C1 729333039 IVKWAZRWKKYYIK-CYBMUJFWSA-N 404.469 1.801 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)Nc2cnn(CC(=O)NC)c2)ccc1OC 733652322 BQHZRIYQIPBTOA-HNNXBMFYSA-N 400.439 1.640 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)c1ccc(C#N)cc1 740204664 LWBUXYBKEUELKS-QGZVFWFLSA-N 422.846 1.947 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(=O)NC2CCCC2)C1=O 746694148 QMYGUKKFAOYCQN-INIZCTEOSA-N 413.503 1.685 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2cccc(CC#N)c2)cc1 747313727 GIHIRZXRSPXVAT-UHFFFAOYSA-N 411.443 1.579 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccccn1 747642488 XBSKIQFMGPOCCO-DLBZAZTESA-N 416.503 1.529 30 10 HDEE C#CCN(C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C1CCCC1 757202637 ZODWBNTUCNOJOH-UHFFFAOYSA-N 420.315 1.499 30 10 HDEE C[C@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 759085134 ZJIPTKBCXULGCS-HNNXBMFYSA-N 423.473 1.746 30 10 HDEE CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 764262551 UZAYDBBCXIKVIY-AWEZNQCLSA-N 421.295 1.985 30 10 HDEE C#CCOc1cccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1 767434346 DLMPLWMLTKGVGH-INIZCTEOSA-N 410.492 1.965 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772896881 FFQGICKUJMYWKT-UHFFFAOYSA-N 416.506 1.769 30 10 HDEE N#C[C@@H](C(=O)CN1CCN(c2ccc(F)cn2)CC1)c1nc(O)c2ccccc2n1 775559368 DVYJTNVTPQMDDC-INIZCTEOSA-N 406.421 1.868 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)[C@@H]1CCCO1 776227364 XGWARVLYHGFVAH-ROUUACIJSA-N 405.882 1.753 30 10 HDEE CC[C@H](C#N)OC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 781126089 LPRQQJMKZPDAIY-LLVKDONJSA-N 417.281 1.929 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2cn(C)nn2)c1 783044115 HTVHXBSGFYRDNP-XLNRJJMWSA-N 419.511 1.730 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1OC 785872721 LRPKGRHZOWNKNP-GJZGRUSLSA-N 410.496 1.339 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c(C)n(C)c2=O)n1 788813638 OOVJAOALMQDNCY-UHFFFAOYSA-N 421.295 1.575 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c1 788840108 DZGTVGCASZDLIA-UHFFFAOYSA-N 415.471 1.737 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)n1 789208567 ZPFZFWBHHWNCQD-DLBZAZTESA-N 405.499 1.541 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(Cc3ccc(C)cc3)C2=O)n1 789240542 CUBLOWUAIMIVQH-NRFANRHFSA-N 423.517 1.784 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1C 790678835 NADGWJKLYPHSNG-QFIPXVFZSA-N 411.458 1.706 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790696229 MRLBOUFTIOYEJY-LVXYXVKQSA-N 420.510 1.827 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)=NO1 798865127 TXFJGVSQLZCWJD-HNNXBMFYSA-N 414.466 1.271 30 10 HDEE C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C1(S(C)(=O)=O)CC1 807110887 ZPFANJPVKDCQAL-XQQFMLRXSA-N 400.501 1.010 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccc(F)cc1 812934215 RYQHTEUKSBVCNE-QGZVFWFLSA-N 420.466 1.821 30 10 HDEE C#C[C@@H](NC(=O)Cn1cccc(C(=O)OC)c1=O)c1ccc(Br)cc1 1129730164 DJKBWPAUOYLKEH-OAHLLOKOSA-N 403.232 1.888 30 10 HDEE N#Cc1cccc(C2(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)CCOCC2)c1 1131146297 IEQLGIYNNUFDAM-UHFFFAOYSA-N 410.474 1.935 30 10 HDEE C=CC1(CC(=O)Nc2nnc(NS(C)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 1136359561 NAENXNODDXCGHQ-UHFFFAOYSA-N 417.513 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)s1 1136575548 ZSGOJBKCWACDSL-INIZCTEOSA-N 410.565 1.447 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](O)C(F)(F)C3)CC2)cc1 1146516480 FPKZGTURLDUKOD-MRXNPFEDSA-N 413.446 1.187 30 10 HDEE N#C[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 1151050705 ZPZFYBLLTBMXDV-HNNXBMFYSA-N 424.276 1.856 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN(C)c1ccccn1 1153119520 JWMWVGNPPUBAFT-HNNXBMFYSA-N 401.492 1.263 30 10 HDEE C=CCSCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1154100440 GTOKJSYZOYWJML-SJLPKXTDSA-N 412.577 1.969 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 1157760881 OZKZPOVNNCVBMJ-UHFFFAOYSA-N 422.235 1.699 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)ccc1F 1159073366 GMSUGXCSOBDNJL-IEBWSBKVSA-N 418.490 1.966 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1160836572 HXZTZHCPCYGNOW-LJQANCHMSA-N 400.442 1.857 30 10 HDEE C[C@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180721914 XJPCOSMQPAIXDY-GAJHUEQPSA-N 417.469 1.828 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(C#N)ccn2)CC1 1181897057 RKPTULOFOGMKAW-KRWDZBQOSA-N 413.478 1.637 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)C[C@@H]2CCCS2(=O)=O)c(=O)c1C#N 1183325966 YDKLLCBVWTVUNH-JTQLQIEISA-N 402.270 1.137 30 10 HDEE O=C(CN1CCN(c2nccnn2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1196375755 PBIVMDURRIBOMY-UHFFFAOYSA-N 404.396 1.180 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)Cc1cc(C#N)cs1 1198195356 WBGVWFXYDXRSQK-LBPRGKRZSA-N 404.517 1.677 30 10 HDEE COC(=O)c1oc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1225939208 WWNRZHHYODGUTJ-TZMCWYRMSA-N 406.439 1.933 30 10 HDEE C#CCN(C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1252671344 QBVQZVSTYUQNSO-HNNXBMFYSA-N 413.540 1.513 30 10 HDEE C#CCN(C(=O)[C@@H](OC)c1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 1264995916 XFIILBPOOPUXNP-MFKMUULPSA-N 406.323 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCOC 1286288578 HYWQICAQROARKH-OAHLLOKOSA-N 410.478 1.313 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1286302821 OMVWLUGEZPGBSY-RDJZCZTQSA-N 410.478 1.346 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1286349604 KNQZECUBTIAPLA-QGZVFWFLSA-N 424.567 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1286408763 LFVHVBXYRHZGBI-UHFFFAOYSA-N 420.498 1.423 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)C(C)(C)C 1286467341 VMXCQGGUDCOFLX-UHFFFAOYSA-N 419.551 1.563 30 10 HDEE C#CCSCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1286512000 HAYDYRIGAJOSPK-SQGPQFPESA-N 424.567 1.537 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1286698169 OGEFEZQKBHNNSG-UHFFFAOYSA-N 414.558 1.635 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286788939 KMEOMFLAPDCMRA-IBGZPJMESA-N 424.549 1.784 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286822884 IJJNFDWSPJGDST-CQSZACIVSA-N 404.544 1.853 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC1(O)CCOCC1 1287203295 JPKJCRONUREYSW-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1288999359 LOBVRHRZJLWEOS-IAGOWNOFSA-N 412.469 1.651 30 10 HDEE N#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)c1ccc(F)cc1 1290517293 QMERZISICALIQX-IBGZPJMESA-N 417.462 1.966 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3ccnc4c3CC(=O)N4)c(C#N)c2N)cc1 1294272508 OAUPXMDENJCKLY-UHFFFAOYSA-N 415.457 1.887 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cccc(C#CCO)c3)C2=O)c1 1294462568 KGCVTKSQKAIBBY-OAQYLSRUSA-N 408.454 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1300295186 DJIPSXSSYOTBGS-UWJYYQICSA-N 414.579 1.949 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1noc2c1CCCC2 1300553669 OGNIJJKRAMBXOR-UHFFFAOYSA-N 406.490 1.892 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1c(C2CCC2)cnn1C 1300612823 YGEIOLDLAQOBFW-ZDUSSCGKSA-N 401.492 1.542 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCN2CCCO)CC1 1300693110 SXOUYPMLHJNACP-NRFANRHFSA-N 408.550 1.547 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2ccnc2C)CC1 1300709740 DERBQGIWXUWCOV-UHFFFAOYSA-N 423.496 1.957 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H]2CCOC2)CC1 1300725881 LECDPCUMAONZCF-WMZOPIPTSA-N 401.511 1.174 30 10 HDEE COC[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300996824 COHYGHHRBJCQFI-RDJZCZTQSA-N 424.509 1.105 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1OC 1301297578 QEZRRCPTZDMQDY-OAGGEKHMSA-N 413.544 1.048 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCCn2cc(CO)nn2)C1 1301554588 IZSSQSQRXGLORH-SFHVURJKSA-N 401.515 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1301593228 KKONFHLVIWFEJL-OAHLLOKOSA-N 400.545 1.667 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1301606484 QXDQZENHQRJVRC-UHFFFAOYSA-N 413.555 1.658 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1302100234 XIKIIJCNCLZIPG-GJZGRUSLSA-N 420.445 1.344 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)n1 1304753764 GYSPFSYPBYAHBW-CRAIPNDOSA-N 421.502 1.016 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)c1C#N 1306286338 RHZFXKDMCZITSU-UHFFFAOYSA-N 401.492 1.869 30 10 HDEE Cc1ccc2ncc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c(=O)n2c1 1306895222 OAOZOYBQPOTMRZ-UHFFFAOYSA-N 406.398 1.521 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)CC1 1310648652 GHJHTSYZRMZWRQ-QGZVFWFLSA-N 414.462 1.915 30 10 HDEE COC(=O)c1nc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1Cl 1312982348 MKNQATYRYQXGCI-UHFFFAOYSA-N 414.853 1.820 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1337193854 VAIJSJVZJVFNQH-ZWKOTPCHSA-N 403.504 1.123 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ncc(C#N)cc3Cl)cn2)CC1 1353045556 BFEMGRDPOLJAQR-UHFFFAOYSA-N 420.882 1.336 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H](NC(C)=O)c1cccc(Br)c1 1357412519 FFWJJAJSMGNJEM-CQSZACIVSA-N 403.298 1.343 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358938823 KFEDUNOXHXDULX-BBWFWOEESA-N 410.588 1.326 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1358955291 JESLOIPKTKEIKF-INIZCTEOSA-N 407.540 1.233 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2nsnc2c1 1358981514 NDLCSVVKGJGJKX-UHFFFAOYSA-N 405.487 1.526 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCO[C@H](C)C1 1359024103 FHISSMPTTIPCQG-WOJBJXKFSA-N 419.570 1.759 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2([S@](C)=O)CC2)CC1 1359036753 HUUODKOGXRDNCQ-LJAQVGFWSA-N 415.538 1.674 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359137109 FPUWRMFTIJZEPF-LAUBAEHRSA-N 419.526 1.334 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359149459 AMSJPCWNFHAENL-GJZGRUSLSA-N 423.949 1.018 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCS(C)(=O)=O)CC1 1359181385 QTFXGNBOZZWROZ-UHFFFAOYSA-N 423.564 1.717 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359213687 CVZNNZZYQLPVFP-UHFFFAOYSA-N 419.555 1.952 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1)C1CC1 1359251543 OAFBZKZCEBFANC-CQSZACIVSA-N 419.507 1.244 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2cnnn2C)CCOC1 1360332845 CTIVJCGFSDAJHX-IBGZPJMESA-N 400.487 1.235 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1440638939 FUIRNVGBAUIEHK-ROUUACIJSA-N 421.519 1.492 30 10 HDEE C#CCN(CC(=O)NC[C@@H](Cc1ccccc1Cl)C(N)=O)C(=O)OC(C)(C)C 1444219280 DGIVAPRKSUYTQA-OAHLLOKOSA-N 407.898 1.971 30 10 HDEE CCc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1444985715 IPGASMJGIPTMAO-UHFFFAOYSA-N 423.495 1.499 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)s1 1447572561 GZJJOMSFUOCKJH-OAHLLOKOSA-N 423.491 1.426 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1)c1cc[nH]n1 1450241015 WMQNFODJBHSKLE-CQSZACIVSA-N 402.455 1.079 30 10 HDEE COC1(OC)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 1452118496 ONHNGGLVHOGFAP-KRWDZBQOSA-N 405.300 1.490 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 1454619102 VNAMYHFHSRWPDC-HNNXBMFYSA-N 417.487 1.747 30 10 HDEE CCCCN(C[C@H](O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(CC(C)C)c1N 1459740143 APCOOJODYAJEEK-MRXNPFEDSA-N 421.542 1.865 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1 1459928192 GEHDBTVMEZFNPZ-JLTOFOAXSA-N 403.435 1.253 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC(=O)OC)c1ccc(C)cc1)c1cc[nH]n1 1463783882 LJLXWQVDYDABCQ-MRXNPFEDSA-N 416.434 1.423 30 10 HDEE CCN(CC)CCN(C(=O)C(=O)/C=C\c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1466157413 KGSIHELKAUMBJB-VOCYLRNQSA-N 410.511 1.766 30 10 HDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1ccc(C(=O)NO)cc1 1467527763 FXDMAJNUPKPGNC-QGZVFWFLSA-N 413.352 1.054 30 10 HDEE CCN1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1468283506 MAOZZUIHQUBPDW-CQSZACIVSA-N 406.508 1.023 30 10 HDEE COc1ccc(C(=O)N[C@H]2CCCN(O)C2=O)cc1S(=O)(=O)Cc1cc(C)no1 1468452887 KZAIVXDMHFTWOB-AWEZNQCLSA-N 423.447 1.076 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1468576894 BFHJIVAZMHSXFO-QZTJIDSGSA-N 421.906 1.923 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)Cc3ccc(C#N)nc3)c3nccn32)C1 1472058117 RFYUIQIBEIDLJM-MRXNPFEDSA-N 408.462 1.899 30 10 HDEE CCOC(=O)[C@]1(C)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CCO1 1473732856 XHZAHIAVTUENKC-UZLBHIALSA-N 420.535 1.111 30 10 HDEE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H](C)C(=O)N1C 1475618854 ATUWACOCXYWILT-GMTAPVOTSA-N 400.298 1.949 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(c3ncc(F)cn3)CC2)c(C#N)cn1CC 1476760240 AWOJPDVKMFYRJH-UHFFFAOYSA-N 415.429 1.840 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1ccnn1 1503066973 INNRKBBWRVNZTE-UHFFFAOYSA-N 409.454 1.031 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC2CCOCC2)cc1 1505314792 BENFXKKGKOTGEC-GOSISDBHSA-N 424.505 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC1CCCCC1 1507546977 IVIWYNGIADXFPP-GJYPPUQNSA-N 403.527 1.909 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507556614 JRZAMIJYPDQKIG-ZACQAIPSSA-N 409.556 1.697 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1507652933 KHKSNHYDHYIKQU-MRXNPFEDSA-N 418.469 1.774 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C(C)C)CC1 1507728384 SEEAJDOVHLRNNE-UHFFFAOYSA-N 408.550 1.591 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1507728590 UCCOHOMDDXTDTJ-KKSFZXQISA-N 414.579 1.940 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507828166 WEKXJNXBCXAEJW-HUUCEWRRSA-N 400.435 1.610 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507865649 GJSJUAYGLVJTRO-UHFFFAOYSA-N 424.900 1.728 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1508062995 WMPYUBWCNBXCQM-UHFFFAOYSA-N 404.421 1.940 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@]1(OC(C)C)CCOC1 1508093751 JNNFGCFYJVAZTE-ZOCZFRKYSA-N 403.527 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CC)C1 1508144174 REZBGSSTALNHNP-MRXNPFEDSA-N 409.556 1.628 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1509953178 KSLSQPUNSWNGNG-IKGGRYGDSA-N 422.555 1.706 30 10 HDEE COc1ccccc1-c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1518430374 XOPGHTSHHUWDEU-UHFFFAOYSA-N 415.475 1.947 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2coc(C#N)c2)c1 1519086621 BPGGWHGCVKBBLH-UHFFFAOYSA-N 404.448 1.490 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCCC1 1519166946 ZAFGHVQRGQDFCN-MRXNPFEDSA-N 404.515 1.584 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1519280466 WHHHQLPPYCUCIQ-LIRRHRJNSA-N 420.445 1.353 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1521075631 PBKNYDGUPOKGIE-YWZLYKJASA-N 422.424 1.247 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOCCCO)CCO1 1521121299 JLPSBGQEUONERT-INIZCTEOSA-N 423.420 1.674 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N2CCCc3nc(C#N)ccc32)CC1 1527154743 JSXOWSFQGYMWHB-UHFFFAOYSA-N 400.479 1.570 30 10 HDEE C#C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1528087854 HPEWGCJERGVHCC-OLZOCXBDSA-N 404.224 1.253 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1530726126 YZNWXWKJYVKNNM-RHSMWYFYSA-N 409.464 1.293 30 10 HDEE CSc1nc(O)c(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)cc1C#N 1535343382 AMSOYEOCOQQVQB-UHFFFAOYSA-N 406.508 1.917 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1538974611 UFKIOTKBYOYNDY-VXGBXAGGSA-N 419.536 1.399 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1539134504 VUSIJFHIVSFQHG-NRFANRHFSA-N 406.534 1.993 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)CC)CC1 1539461592 IHPSBUOBPBJCGH-OAQYLSRUSA-N 401.486 1.912 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1539495962 CGZWPKKZLCZNFB-TXPKVOOTSA-N 406.508 1.844 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539798736 JWDUKYDPGFVGJJ-HNNXBMFYSA-N 406.918 1.963 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCS2(=O)=O)CC1 1539855278 QZRNFAJZEALJSA-UHFFFAOYSA-N 402.524 1.456 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1546221253 BTVPNSRJBQUOBL-GOSISDBHSA-N 417.473 1.778 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1547771510 DXUVOUKEXGDZLG-UHFFFAOYSA-N 408.466 1.648 30 10 HDEE COCc1nc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cs1 1555324755 GULCWRMVCLNGFI-KRWDZBQOSA-N 402.459 1.772 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1555556340 CMOBULNEECGZPP-UTKZUKDTSA-N 414.510 1.988 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1556375360 HRVKPHPYPCSJKV-RDJZCZTQSA-N 420.462 1.919 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)nn1 1556453778 JQRNKAXTQIQJLU-SJLPKXTDSA-N 402.886 1.725 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1557623466 STDGDRLFEKAHFB-GXTWGEPZSA-N 417.325 1.513 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H](CC#N)C(F)(F)F)C1 1558441905 CMCPYFMTHNVDGB-GHMZBOCLSA-N 413.418 1.371 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1558603958 DOLNWCRSMHEERH-CZUORRHYSA-N 405.501 1.887 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1561798673 RQNMEVPSPVJCSS-CQSZACIVSA-N 418.309 1.871 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)nn1 1562149823 OJHKABLEDGJFQC-UHFFFAOYSA-N 422.511 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)C1 1564530733 HXLQBJWPDYVTQN-JSSFPYSZSA-N 416.478 1.787 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)nn1 1566133980 DRSXINSYRILPRS-UHFFFAOYSA-N 424.549 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1587661321 ACUILDPXDJYRGD-INIZCTEOSA-N 410.526 1.419 30 10 HDEE CC(C)CN(CC1CCN(C)CC1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1588067829 VFSWCQBCJXWJQJ-UHFFFAOYSA-N 420.579 1.942 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC=C 1588099758 YCERLBIUAGNSEQ-UHFFFAOYSA-N 413.459 1.527 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(O)CCN(C(C)C)CC2)CC1 1588947335 OIHCGCDXWHDVSZ-UHFFFAOYSA-N 416.570 1.042 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Br 1594962495 KXBVLWWQCZQJEU-GFCCVEGCSA-N 420.333 1.142 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1595434683 LKGKCTALULDWBC-QGZVFWFLSA-N 412.498 1.092 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCSCC2)C1 1595714181 LHQVGNSRTDUABW-MRXNPFEDSA-N 401.540 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC2(CCOCC2)C1 1595784051 ARJGUVQEVFRVKV-UHFFFAOYSA-N 420.539 1.286 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccccn3)CC2)c1 1597732372 PLDIMKVHFLYYJM-UHFFFAOYSA-N 416.434 1.116 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CC#N 1617387844 WVKHYHNCNSUIFG-GFCCVEGCSA-N 411.919 1.671 30 10 HDEE CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1(C)C 1618487419 DHKRQSMEXMBKPU-AVRDEDQJSA-N 415.586 1.938 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CC1 1620352961 CGFDICNXJJLPAN-MRXNPFEDSA-N 408.528 1.295 30 10 HDEE O=C(CN1CC[C@H]2CS(=O)(=O)C[C@@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 1620560063 JVWPWCDYHPCUMU-HOTGVXAUSA-N 414.449 1.540 30 10 HDEE Cc1cc(C2(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOCC2)on1 1624819448 MIOWSIYQMQZXPI-CABCVRRESA-N 404.467 1.907 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)n1 1626714420 RLADWYIDEVJZFV-UHFFFAOYSA-N 413.482 1.562 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N2Cc3cccc(C#N)c3C2)cc1OC 1628184198 DYIOZOSSZAEYDB-UHFFFAOYSA-N 401.444 1.396 30 10 HDEE COCCN(CC#N)C(=O)CNC(=O)c1ccccc1I 1629261946 WHIGVJAIADXZEG-UHFFFAOYSA-N 401.204 1.020 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c[nH]c(C)c(OC)c2=O)cc1 1630912255 XKLOCLJHGZOJNP-UHFFFAOYSA-N 405.476 1.428 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1633805525 KCCABLHTZZHYNY-UHFFFAOYSA-N 409.508 1.894 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1634537222 VOIRTBOCHQPNEL-UHFFFAOYSA-N 415.513 1.536 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1634555390 XATDANZWLGCSDB-LJQANCHMSA-N 413.518 1.583 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1635160393 LIKIGHAITKNJKZ-GOSISDBHSA-N 416.547 1.354 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 1636097181 YFBUYKWHYHXZSO-CQSZACIVSA-N 423.963 1.905 30 10 HDEE O=C(Cn1ccc(O)nc1=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463665 MJQISPPRVGWFLD-KNVOCYPGSA-N 421.244 1.578 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](O)CC34CCC4)CC2)cc1 1638443036 JNWAUSCPVLOURB-GOSISDBHSA-N 417.531 1.865 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3cncc(C#N)c3)cc2)C[C@H](C)O1 1638830875 USULIDYTYWXUBE-GJZGRUSLSA-N 414.487 1.681 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CC[C@](O)(CC#N)C2)c1I 1638967708 DKQDWWCVDKDPOA-CQSZACIVSA-N 402.236 1.733 30 10 HDEE Cc1c(Cl)cccc1N1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1640287932 HVBNRCPEXUJDTL-UHFFFAOYSA-N 401.854 1.521 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc21 1640916667 UBLZDJIDIGNJAK-HXUWFJFHSA-N 407.474 1.981 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CS(N)(=O)=O)CC1 1641243452 PQSAUPGDJXIQSS-CYBMUJFWSA-N 409.936 1.549 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1 1641293569 XNQHIKDIMIQTQX-GOSISDBHSA-N 421.563 1.866 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 1641293570 XNQHIKDIMIQTQX-SFHVURJKSA-N 421.563 1.866 30 10 HDEE C=CCN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](C)COC 1641334425 IJIUOOKDDNMYDE-GJZGRUSLSA-N 404.529 1.460 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](CO)[C@@H](O)C1 1642400413 DVCYWGDPZYSCRE-RYQLBKOJSA-N 401.463 1.204 30 10 HDEE C[C@@H](CC(=O)NCCc1ccc(O)c(CO)c1)/N=C1/NS(=O)(=O)c2ccccc21 1644712882 RDEIBBAWBPYBIW-ZDUSSCGKSA-N 417.487 1.061 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1648261598 PQNSCVKWKCDITC-UHFFFAOYSA-N 406.504 1.398 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)c1 1653189533 IZQFALXXMJRBBF-KDURUIRLSA-N 410.467 1.110 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1653544034 JVPGNDMXQPAHEC-CQSZACIVSA-N 405.501 1.600 30 10 HDEE CN(C)CCNC(=O)c1cccc(CNS(=O)(=O)c2ccccc2CC#N)c1 1654006408 DQXJFNNTMYPNRW-UHFFFAOYSA-N 400.504 1.523 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(OC)c(Br)cc2OC)C1 1671459499 RUYIBKLIQLUQSU-LBPRGKRZSA-N 417.325 1.842 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1 1672237947 RZBCQROYHFXHCZ-UHFFFAOYSA-N 420.535 1.757 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1672426862 KZZQNYFTVJGKAF-NSHGMRRFSA-N 419.497 1.734 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCCO1 1690032904 LWAONDUMBJLCKC-QZTJIDSGSA-N 421.567 1.701 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@H]21 1690219310 BFFBOKALVTVSPU-QJPTWQEYSA-N 404.334 1.786 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CC(N)=O 1690234851 PFLATHPHLXMXAU-ZOBUZTSGSA-N 404.515 1.195 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690237212 WNVBPQJRQUGUNF-ZACQAIPSSA-N 416.526 1.855 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1 1690263921 LBWFESPRHUSTDM-SFHVURJKSA-N 403.575 1.659 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1690265044 JEJWZLFLBHWBNR-MSOLQXFVSA-N 423.583 1.841 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690485470 UHIFZLQVWMMGOB-ROUUACIJSA-N 423.583 1.305 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690522682 KQFBTCDFASFFAN-DOTOQJQBSA-N 419.555 1.505 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C)C1CC1 1690545376 PKSIZRXSKHWDEF-RXBISOJRSA-N 414.597 1.882 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC(F)F 1692780038 BJVREUJKQOHOJW-MLGOLLRUSA-N 420.486 1.648 30 10 HDEE Cc1n[nH]cc1CCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1692916720 FOKXVCOZLNBVRI-IBGZPJMESA-N 400.462 1.507 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(OC)CCOC1 1705540822 OMGZDOVPCXHRHE-HXUWFJFHSA-N 417.897 1.736 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705568499 OSJOOXMUCFRFML-BBWFWOEESA-N 410.540 1.256 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cnn(-c2ccccc2)c1 1705621402 ZKALBTQRUXLPLU-UHFFFAOYSA-N 421.505 1.736 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOCC1 1705695753 YXCVSDWSBNMOSK-ZWKOTPCHSA-N 420.558 1.166 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705746993 CFJBZTUTCBZPSF-MELADBBJSA-N 403.936 1.504 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705822976 XIKNOEOMWURLFV-GOSISDBHSA-N 401.515 1.447 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705829304 MUNXFHQDSSGYBB-UHFFFAOYSA-N 418.542 1.312 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1)C1CC1 1705850582 ZJDDLTWZXGTIAP-HXUWFJFHSA-N 418.519 1.655 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1705868807 BYGQIHUCTSPEJP-QGZVFWFLSA-N 412.542 1.997 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705888290 PVOLKKFTBPYDPF-GDBMZVCRSA-N 401.492 1.249 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705900080 PKIKEHVFAPUKMZ-UHFFFAOYSA-N 423.521 1.624 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705903780 UHNNGYKSEQWTMI-MRXNPFEDSA-N 414.510 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705936933 BRBDWDFEOQNASH-MRXNPFEDSA-N 407.540 1.033 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@@H](C)C1 1705937786 FBLVZSHMCLZOFV-IYBDPMFKSA-N 409.556 1.484 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1705943969 PZNYYSXUONAMLR-UHFFFAOYSA-N 416.551 1.863 30 10 HDEE CC(C)Cc1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706431207 GJGHAFDRRGPNSA-VHEBQXMUSA-N 414.510 1.620 30 10 HDEE CN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccc(C#N)cc1 1710985860 NZMKYYSIFMPTAW-UHFFFAOYSA-N 421.461 1.602 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOCC1 1712526443 XEXJTIASAYLUDT-GOSISDBHSA-N 420.558 1.854 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722324545 UHAQMJCDWICNRI-NWDGAFQWSA-N 409.434 1.069 30 10 HDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1722333759 OAJWZMIOGUGXBL-UHFFFAOYSA-N 414.554 1.330 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1722359524 OENFXWBJMRUBDJ-MRXNPFEDSA-N 414.491 1.439 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(OC)CCOC2)CC1 1722439358 ZANGFNHWWAURDL-QFIPXVFZSA-N 413.497 1.569 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1722458489 LGIQMVUEJGDTJU-INIZCTEOSA-N 418.567 1.338 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 1722475449 CWAGTUWRAHBPSP-OAQYLSRUSA-N 410.526 1.787 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC2(CC1)CNC(=O)C2 1722696254 GVNRVUCRXGVLCG-UHFFFAOYSA-N 412.469 1.493 30 10 HDEE Cc1nnc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)s1 1726277877 FCSLUMXJPZORJY-SFHVURJKSA-N 402.528 1.949 30 10 HDEE COC[C@@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730494808 SDQWBNMRQRBBFH-WMLDXEAASA-N 419.530 1.795 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1730840052 JCQUAXGMKAXCNU-ABAIWWIYSA-N 422.383 1.123 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCC1=O 1730844740 UBYFBMYUGMAIRU-JXFKEZNVSA-N 422.505 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCN1CCCS1(=O)=O 1740561011 UYLSPKXGSVEUEU-QGZVFWFLSA-N 401.536 1.557 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1740608997 JTRRDSZFONJWTM-ZDUSSCGKSA-N 408.384 1.683 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@H](C)CC 1740610334 XHFBHQVCRATURZ-QGZVFWFLSA-N 424.553 1.826 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1740644663 OOTOTOHRPHCPJD-UHFFFAOYSA-N 422.464 1.755 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1ncn(C)n1 1740684611 WFZQXQRARAMULM-UHFFFAOYSA-N 418.461 1.863 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1740717257 NKKDQDMCGFYFPA-WMLDXEAASA-N 413.503 1.469 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740718148 IMATVRZWYYREQQ-BBWFWOEESA-N 403.552 1.943 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1740899785 PBXFKGIMGFQYMS-QGZVFWFLSA-N 417.535 1.405 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1740929853 BEKTXNVZTFTYPJ-KRWDZBQOSA-N 412.469 1.977 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C(C)(C)C 1740941849 UWWSDXKVYJCNQB-HZPDHXFCSA-N 414.572 1.880 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1741004075 NWMUUXZBKMWEIH-OAHLLOKOSA-N 416.555 1.682 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1741804634 GSOVOYRVLXPVGT-QRWLVFNGSA-N 402.474 1.801 30 10 HDEE Cc1nccn1CCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1742628620 IYPJLLWLVNFTTO-INIZCTEOSA-N 420.525 1.949 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748745771 XCOOGGGHIRFIHJ-INIZCTEOSA-N 402.524 1.580 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCN(C)C 1748798382 FVWVTKPSQAUYGD-UHFFFAOYSA-N 410.522 1.459 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1748801775 GGKFQVBPRJVGEJ-GOSISDBHSA-N 421.567 1.287 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1748826275 QELYWYGOYBBJNA-MRXNPFEDSA-N 415.519 1.212 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(C)c1 1748876586 LTGMFNALNIUVQK-UHFFFAOYSA-N 412.461 1.166 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1748905495 GDRQJEMYCRQJPF-INIZCTEOSA-N 407.544 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnn(C)c2)CC1 1749008597 DYUNNZNGWTXOLD-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(OC)CCOC1 1749051407 HQBCUDGWLRJBPH-RTWAWAEBSA-N 403.527 1.994 30 10 HDEE C=C(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OCC)CCOC1 1749207717 QMALYURKNLJPNK-FQEVSTJZSA-N 418.498 1.027 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1)C1CC1 1749516464 AFQHRQQPBRXFIH-SFHVURJKSA-N 401.559 1.412 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1749669887 OWTBCWSTGAHSAU-AEFFLSMTSA-N 415.469 1.801 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749676400 PERPUFVHRVWHKS-HZPDHXFCSA-N 414.535 1.480 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749676428 PYXNZHSYNFLTPL-DZGCQCFKSA-N 424.427 1.722 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752673896 RWCUSYHZQCNNDH-IAOFPLEJSA-N 416.482 1.317 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1760115925 CXJPILLKRNRERU-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C(N)=O)CC1 1760152453 MMIWGUSVMQHLPM-UHFFFAOYSA-N 419.489 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC(=O)NCc1ccco1 1760220862 VSEZKEKFENKJCO-UHFFFAOYSA-N 402.458 1.636 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1cnnn1 1760247467 CIJAOQPPSAZFMF-UHFFFAOYSA-N 419.493 1.600 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760356856 YHGORZZCEBSSEG-HXUWFJFHSA-N 402.499 1.563 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1760357362 ILHSBNAURHXRNX-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1CC(=O)N1CCOCC1 1760468010 DIZIWPMDGMVTDW-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1760514432 FTMVHLWJONNFIK-GOSISDBHSA-N 424.505 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCN(C)C2)C1 1760540644 MPHLTUDVQXTJLE-JTSKRJEESA-N 413.522 1.802 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1763369593 ZFKFPAYZZDPROX-LJQANCHMSA-N 404.471 1.533 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1767508504 QKVKJNNMVLCQHA-OXQOHEQNSA-N 414.441 1.203 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCC(F)F 1767863762 KPSCFCDHPPVCHR-UHFFFAOYSA-N 408.409 1.631 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C1 1770317396 NCASFWMPUWCWQT-ZWKOTPCHSA-N 413.503 1.785 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1771050747 ZSIMVTBJVQXLLY-LJQANCHMSA-N 424.505 1.681 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)CC1=O 1771128992 CPGCCOOAVPDWPM-ZWKOTPCHSA-N 416.526 1.755 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2CCOCC(F)F)c1 1771531683 YYOONAXTRJPGHA-HXUWFJFHSA-N 416.432 1.815 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)cc1 1772792759 NGVWJIRCDDVTEA-NRFANRHFSA-N 407.382 1.516 30 10 HDEE C=CCN(C(=O)C1CN(c2nc3ccc(OC)cc3s2)C1)[C@H]1CCN(C)C1=O 1849906665 DLZHLQGQTZMIIW-INIZCTEOSA-N 400.504 1.986 30 10 HDEE C=CCN1C[C@H](C(=O)NCCOc2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1=O 1850254155 REJZNYNIGIDWBJ-OAHLLOKOSA-N 424.436 1.460 30 10 HDEE CN(C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1)[C@@H]1CCOC1 1853032485 OMYRRUJYRFLWRN-QUCCMNQESA-N 413.499 1.695 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCCC[C@@H](N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854072793 KLEFWRYYKHTGKR-FUHWJXTLSA-N 411.568 1.606 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ncn3c2CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1854082833 WIDWBQSFMBIVQU-ZWKOTPCHSA-N 413.522 1.459 30 10 HDEE Cn1cnnc1C1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1854658387 GVWRESRPWALCRD-IBGZPJMESA-N 406.490 1.626 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2=O)CC1 1854724355 CRPDATUGASWCQZ-HOTGVXAUSA-N 402.520 1.758 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854820394 KBVSZXNPNXKZMY-UWJYYQICSA-N 400.454 1.582 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)C1 1854936098 XNQSCIZHSCQQAS-WMZOPIPTSA-N 413.526 1.129 30 10 HDEE CCn1ccc(C(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n1 1854957928 QLWKKKBRHARJSC-GOSISDBHSA-N 408.462 1.454 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C1 1855312279 PASIWKKZCXNUEZ-IRXDYDNUSA-N 409.490 1.792 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1=O 1855423900 IDHUFHYGNYUAIB-LPHOPBHVSA-N 410.478 1.599 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCCc4nc(C)cc(C)c43)CC2=O)CC1=O 1855699622 DPSOWILXSPSGTP-MSOLQXFVSA-N 410.518 1.861 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)C[C@H]3CCCCO3)C2=O)CC1 1855909117 HGBGUJCXDCQYDX-RTBURBONSA-N 411.506 1.552 30 10 HDEE C=C(C)CN1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C(=O)C1(C)C 1856109219 AZKRZSIMWWTCLX-UHFFFAOYSA-N 419.503 1.247 30 10 HDEE COCC(=O)N1C(=O)[C@@H](C)CN(S(=O)(=O)c2ccccc2C#N)c2ccccc21 1856376966 HHERPEMSOZLODE-AWEZNQCLSA-N 413.455 1.909 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856573784 WTHIBQUBORWICD-CJNGLKHVSA-N 409.895 1.266 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3cccc(OC)n3)CCC2=O)CC1=O 1857368683 JJJVKPMMTNNDFI-DLBZAZTESA-N 414.506 1.322 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCC[C@@H](Oc4ncccn4)C3)C2=O)cc1 1857432440 FMEFKRZZNBDFSK-MOPGFXCFSA-N 405.458 1.562 30 10 HDEE COc1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)ccn1 1857496907 STFPOIJBRMICED-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE CCOC(=O)CN(C)C(=O)CNC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868782214 FCNGVSUBBPXUQE-HNNXBMFYSA-N 406.508 1.162 30 10 HDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCOC)ncnc21 1875226779 PXPYMBULEJBSHP-UHFFFAOYSA-N 401.467 1.655 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@@H](CC(=O)N1CC[C@H](Oc3cc(C#N)ccn3)C1)CS2 1889358533 KTBFIISXUDJSBJ-HOTGVXAUSA-N 411.487 1.844 30 10 HDEE COc1ccc(N2C[C@@H](CNS(=O)(=O)c3cccc(C#N)c3)OC2=O)cc1OC 1891436549 RPIWRUNARNJERX-OAHLLOKOSA-N 417.443 1.879 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985103983 CVJNMFPMZOQLPW-HUUCEWRRSA-N 410.320 1.907 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2065515481 PWXNLVDQFJCQQN-LLVKDONJSA-N 414.304 1.543 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1cc(C#N)ccc1Cl 2118163420 QURRGFIMCHOATG-UHFFFAOYSA-N 403.888 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CCC([S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174779499 JYLWJDHCCPTPCZ-SRGMZFCMSA-N 420.557 1.574 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC[C@H](C#N)C1 2174781375 FKNNEDBKSMYZLI-QLFBSQMISA-N 402.517 1.081 30 10 HDEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@@H](C#N)C1 2174783742 GFQKTXUCKPBUKA-FXUDXRNXSA-N 400.545 1.948 30 10 HDEE C=CCC1(C(=O)NCc2ccc(S(N)(=O)=O)s2)CN(C(=O)OC(C)(C)C)C1 2181122201 XYEDIWLKMLPUMP-UHFFFAOYSA-N 415.537 1.825 30 10 HDEE CC(C)OCCS(=O)(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186631851 WKKHZFRPJQYPAY-LBPRGKRZSA-N 404.363 1.848 30 10 HDEE CCS(=O)(=O)CC(=O)NCc1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2237725962 XMSIIGGWRJWAQN-UHFFFAOYSA-N 401.359 1.715 30 10 HDEE Cc1nc(C(=O)NCC(=O)NCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)s1 2243416434 FTSFLACAYWDKFH-UHFFFAOYSA-N 415.324 1.797 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2247857351 GJQYLTUFHCCZTC-AWEZNQCLSA-N 419.287 1.662 30 10 HDEE Cc1nc(NC(=O)C2CN(C(=O)OC(C)(C)C)C2)ncc1B1OC(C)(C)C(C)(C)O1 2248415637 DMKJGDIUSCIBHI-UHFFFAOYSA-N 418.303 1.890 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](O)C(F)(F)F)OC1(C)C 2267730301 XVPLWLJRGBCKBG-JTQLQIEISA-N 401.237 1.249 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2281788739 FXKPPMPPDDLWFM-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE CN(C)[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H]1O 2281932381 KPVQDQHOYYQQQF-VXGBXAGGSA-N 400.737 1.448 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CNCC[C@@H]3CO)sc2Cl)OC1(C)C 2281969216 KCAJVQFWCSASCH-PWSUYJOCSA-N 400.737 1.401 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)N1CCCC1 2282329879 SJMQYCSEANLJMU-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)CC[C@@H](CO)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282422746 FVGZFVYFTPWXFA-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@](C)(CO)C3)s2)OC1(C)C 2282423937 VMGQADPYAQOJFH-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282484327 CCHODDDHDDDTSR-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282503712 DSKZJXBTHLBEFS-RUZDIDTESA-N 419.399 1.378 30 10 HDEE COC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504894 VWOZMAIUZWEIAB-UHFFFAOYSA-N 403.693 1.481 30 10 HDEE CON(C)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282508249 TWUUKUAWWLWJBL-UHFFFAOYSA-N 404.725 1.411 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282813528 CPZAPYXECNQJQY-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2COCCC2(F)F)OC1(C)C 2282852512 QCXLNJNLFZLSHA-LLVKDONJSA-N 409.285 1.750 30 10 HDEE CSC1CC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282854946 XQALHWQSCIKMMF-UHFFFAOYSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CO)CC(F)F)OC1(C)C 2282877186 NXZDLHROLWKMLY-NSHDSACASA-N 411.301 1.483 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CN 2282883309 YPGWNLOLCIZRQV-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3CC(=O)O)s2)OC1(C)C 2284400750 XVEVOBOIJGMPDV-LLVKDONJSA-N 401.315 1.675 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2 2303248616 IHAYMWYOYGMQMO-QWHCGFSZSA-N 424.361 1.508 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@]2(O)CC[C@H]2NC(=O)OCc2ccccc2)CCC1 2319414594 DKRABOUALMYMJW-UZLBHIALSA-N 405.472 1.346 30 10 HDEE CCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)c(O)c(OC)c1 2320974705 YHTLUHVQVFXJCL-UHFFFAOYSA-N 414.285 1.777 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1 2346400872 SMFXXSWDGNWMJB-HLIPFELVSA-N 422.503 1.574 30 10 HDEE C=C(Cl)CONS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2360479194 KBCHEYIQJTWUJD-UHFFFAOYSA-N 403.693 1.957 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365198508 GJXOJTKZYGKTSG-HVEKOLDVSA-N 402.557 1.681 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2365206758 IRTNJODUKPYGER-HUUCEWRRSA-N 404.573 1.798 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367800882 NEVYUNFDWOKDBF-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367806483 KWRNCKSFMJEPCO-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2367822887 XOHWMCGWGOTNAB-QMTMVMCOSA-N 400.541 1.163 30 10 HDEE CCC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367831381 QMBRMOPXSPZINJ-DNVCBOLYSA-N 402.557 1.601 30 10 HDEE C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@@]12C 13827536 OHCQJHSOBUTRHG-ZYIXGEAZSA-N 410.507 1.520 30 10 HDEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCCN(Cc2ccc(C#N)cc2)CC1 24825407 FIGCMCMRLXJIQU-CQSZACIVSA-N 411.428 1.843 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N3CCCCCC3)cc2)CC1 27559858 MTEAMIYPWKNYMG-UHFFFAOYSA-N 413.566 1.925 30 10 HDEE COCCCn1c(O)c(C(=O)COc2ccccc2[N+](=O)[O-])c(C)c(C#N)c1=O 38620677 WQDHQYMDDXGUSQ-UHFFFAOYSA-N 401.375 1.940 30 10 HDEE COCCCn1c(O)c(C(=O)COc2ccc([N+](=O)[O-])cc2)c(C)c(C#N)c1=O 38620744 KINDBXHUQXAPPE-UHFFFAOYSA-N 401.375 1.940 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(c4cc(C)nn4C)C3)cc2C1=O 436279816 KMPHSVOLZWEDNC-INIZCTEOSA-N 407.474 1.909 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN(CCO)[C@H](C)C2)cnn1-c1cccc(C#N)c1 443714375 YJPSOBOVKHCTQS-MRXNPFEDSA-N 424.505 1.160 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc4cc[nH]c4n3)C2=O)cc1 461101226 SCRAUNUQHIRQAK-KRWDZBQOSA-N 402.414 1.956 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCN(c4ncccc4C#N)CC3)ccnc12 479081343 XPDUNHUZBIMIAY-UHFFFAOYSA-N 405.418 1.135 30 10 HDEE CCN(CC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 492147564 FVHQJIGAYGCUOX-AWEZNQCLSA-N 400.298 1.974 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1 510097262 CRHPSQILDLWOOW-LJQANCHMSA-N 411.483 1.785 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCN3C(=O)c4ccccc4C3=O)cc2C1=O 513909743 RDJPOETXZLADQG-UHFFFAOYSA-N 417.421 1.837 30 10 HDEE Cn1c(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nnc1C1CCC1 542490251 CVIGFGRSFARBDP-UHFFFAOYSA-N 402.480 1.205 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1COc2ccc(F)cc2C1 565453723 PXGNANUQGSJORG-BLLLJJGKSA-N 403.435 1.484 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 590944791 JAHRMHRAGDMQTK-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE CCc1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cs1 609355234 RTMFWOMJLQSFJA-UHFFFAOYSA-N 419.532 1.793 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCN2C1=O 610601176 KQERERQCJWFGAA-QGZVFWFLSA-N 405.414 1.854 30 10 HDEE Cc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1C#N 619839109 NOKWQCLKWSAAAV-MRXNPFEDSA-N 406.442 1.601 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](N4CCNC4=O)C3)n2C[C@@H]2CCCO2)cc1 619853263 VRXZVDDAEXWKCC-MOPGFXCFSA-N 421.505 1.990 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 703952289 WCRIQUOEKPBKND-OAHLLOKOSA-N 408.476 1.648 30 10 HDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC2)c1 730139552 ROXWNPHSPNVUJS-KRWDZBQOSA-N 417.535 1.807 30 10 HDEE CCN(CC)[C@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccsc1 732447838 AEJPBLJHCMLFEE-ZDBRSUKYSA-N 405.524 1.957 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 746314728 GDEAPQRWPXBMNI-ZPHPHTNESA-N 411.397 1.534 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)CCN1C1CC1 759075099 DOSRAKYMMSOGTI-CQSZACIVSA-N 401.268 1.842 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 760405312 ZSFDMLUJBHQFJR-UHFFFAOYSA-N 413.521 1.471 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C(=O)OC[C@H]3C2)cc1OC 764144309 YROMGNUMXSXVKC-MRXNPFEDSA-N 405.451 1.888 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 766078382 BLEQOYYRVJAYQC-GOSISDBHSA-N 411.462 1.331 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)c1 784489759 XJXXBUPSWAHVJO-NXHRZFHOSA-N 411.487 1.991 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COCCNC(=O)c1ccccc1 784871862 ITSKEKDWPXBGEP-UHFFFAOYSA-N 401.444 1.118 30 10 HDEE Cc1nn(C)c(N2CCN(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c1C#N 788043775 IENUNODLVNSHHE-UHFFFAOYSA-N 407.453 1.743 30 10 HDEE C#CCC(CC#C)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 788266983 RKIOFGRNJSMBRG-UHFFFAOYSA-N 401.488 1.174 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)c1ccc(C#N)cc1 797249122 HBZDKSHHSTZTJV-BEFAXECRSA-N 410.430 1.524 30 10 HDEE C[C@H](CC(=O)N1CCCC[C@@H]1c1ccnn1C)/N=C1/NS(=O)(=O)c2ccccc21 799047575 DOOJKOJJWOHFOO-RHSMWYFYSA-N 415.519 1.991 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 800129542 ZWBJZPAZWHYYFQ-LSDHHAIUSA-N 404.533 1.328 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@H](C(F)F)C2)c1 801618809 ZVRROVWBBOCYCP-YRHWPSCSSA-N 416.450 1.997 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 803699625 JZKRNWFRQIOMGX-UHFFFAOYSA-N 413.449 1.114 30 10 HDEE CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)NC(=O)OC(C)(C)C 804155466 CZVHAFQGEMAJPC-INIZCTEOSA-N 406.458 1.979 30 10 HDEE C#C[C@@H](CCC)NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 809796461 LGCUPKDHPMCUPH-INIZCTEOSA-N 407.536 1.553 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3nnc(O)c4ccccc34)n2C)n1 809828646 PNJARABWTXANGG-UHFFFAOYSA-N 418.461 1.614 30 10 HDEE CC#CCS(=O)(=O)NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 810775510 IXEHUDNNEXVCOF-NXHRZFHOSA-N 418.515 1.938 30 10 HDEE C#Cc1ccccc1CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 811454007 FEUASXHFDLGBGA-SFHVURJKSA-N 419.529 1.173 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)ccc1F 819946529 PGNHIAXQYRKAAM-UHFFFAOYSA-N 408.459 1.010 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 921018936 CJPDVMOAHNUPQW-NXSRCCIVSA-N 410.521 1.359 30 10 HDEE Cc1ccc(CNC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1084361556 RJUWLWXGRVNQSI-UHFFFAOYSA-N 411.491 1.860 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)c3ccc(OC)cc3)n2N)cn1 1084438411 JUEDSCMUSDGJDL-UHFFFAOYSA-N 412.479 1.804 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2c(F)ccc(S(=O)(=O)CC3CC3)c2F)CC1 1137371377 MRFOIAVRWFERLY-UHFFFAOYSA-N 411.430 1.347 30 10 HDEE O=C(N[C@@H](CO)C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cccc(F)n1 1141292001 YMMSULINKHQGQE-HNNXBMFYSA-N 409.339 1.498 30 10 HDEE C[C@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCCS1(=O)=O 1141515330 YJGXJULNKDOSRO-LJQANCHMSA-N 401.492 1.342 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](Cc2ccccc2)c2ncon2)cc1 1143964599 CTYTTYOHVKHUDP-GOSISDBHSA-N 410.455 1.956 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C(=O)c3cn[nH]c3)CC2)c1 1160328790 UOBVPAAMOHMENB-UHFFFAOYSA-N 414.487 1.241 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C)C(=O)OC(C)(C)C 1164515711 BACHLMHTJPZROG-MRXNPFEDSA-N 406.483 1.789 30 10 HDEE C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCN1S(C)(=O)=O 1166751719 OGZJKVZFBBDQHE-LLVKDONJSA-N 400.298 1.356 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1176083269 GJMMOUQLYPSMBD-UHFFFAOYSA-N 400.479 1.278 30 10 HDEE Cn1c(SCC(=O)N(CC#N)c2ccccc2)nc2cc(S(N)(=O)=O)ccc21 1188234988 VSPFMFHJCAVPSS-UHFFFAOYSA-N 415.500 1.870 30 10 HDEE C#Cc1ccc(CNC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc1 1200204872 QESIEAQBDRPBMF-UHFFFAOYSA-N 413.503 1.466 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1273306105 PZEQDECWIVQLPN-OLMNPRSZSA-N 423.491 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN(C)CC(F)(F)F 1286416777 XTAFMDITIXEJGM-UHFFFAOYSA-N 410.444 1.358 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1286416959 TVUGLIQXWWUHPN-UHFFFAOYSA-N 421.835 1.965 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@@H]1C 1286461917 ZRNTVHFNBPTBMW-DLBZAZTESA-N 412.494 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1286464064 ZJYSNKKMPHSBBR-UHFFFAOYSA-N 407.478 1.626 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2OCC[C@H]2C)CC1 1286493660 FTDBIMMAZFZJIO-KBAYOESNSA-N 401.511 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CC)C(C)C)CC1 1286495380 ZSJZHODPBZVRBC-LJQANCHMSA-N 416.570 1.478 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1286601618 NGTAFVJTEFKPAR-QYZOEREBSA-N 405.543 1.737 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286700791 MUKLHCVIWHLMAN-KRWDZBQOSA-N 424.505 1.863 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1286716900 SWTRDYXQWHBOPR-UHFFFAOYSA-N 412.494 1.575 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1286758287 JBKKTXVSKDMLAT-KRWDZBQOSA-N 421.567 1.980 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC(C)C)CC1 1286774485 QYQIRYMNWSQBID-KRWDZBQOSA-N 418.542 1.563 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286788102 QFQWXKIFTBXBEV-KGLIPLIRSA-N 416.448 1.157 30 10 HDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)cnn1C 1289238863 AMBPBINSUZMODP-KRWDZBQOSA-N 404.478 1.609 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1290416970 DOLYMAMKWHGJSX-GUYCJALGSA-N 424.527 1.511 30 10 HDEE C=CCC1(C(=O)N2CCC[C@@H](N(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCC1 1290486517 HZKDPFCJWZGXQQ-NADOGSGZSA-N 402.535 1.968 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(C(N)=O)CCOCC3)C2)C1 1290805786 KDEXQJLFEFQJIX-DBWCEAHUSA-N 420.510 1.172 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)c1 1291747895 ARGXCKNZRDQCOK-QGZVFWFLSA-N 412.467 1.690 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C=O)cc1 1291833348 ZQRXBSVSKJRTOW-VVDBFAKWSA-N 406.508 1.839 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1294626289 UADQWKUXFRYYAF-UHFFFAOYSA-N 423.477 1.659 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)F 1300288463 BLNCIDJSWYUGCO-LBPRGKRZSA-N 407.421 1.802 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1300459739 HIYAWRWAENZZHX-UHFFFAOYSA-N 409.441 1.908 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1300509912 YZNPGBUSUHAUOQ-INIZCTEOSA-N 415.519 1.408 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1300631492 RDGFBFRIKFHRQT-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1301371929 DBLHHKVJJLQRQD-ZTFGCOKTSA-N 410.478 1.335 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)C[C@H](C)C(=O)NC 1301492994 SXKFVNKRHUXDMR-HNNXBMFYSA-N 421.505 1.614 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1301520990 WIJGKRCXTBBJEC-ZMSDIMECSA-N 402.499 1.228 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCOC2)C1 1301539101 NSFMCICLMDMWNW-ARFHVFGLSA-N 413.544 1.096 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2n[nH]c(C)n2)C1 1301566735 BRZWIOMOKMIGAA-BQFCYCMXSA-N 417.514 1.453 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)cc1 1302832437 LJKDIDAGYSXMOT-RTBURBONSA-N 407.536 1.259 30 10 HDEE COc1ccc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1303290427 PADVEMYIWODNDU-UHFFFAOYSA-N 417.487 1.578 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CC(F)(F)CO)CC3)ccc2c1=O 1306867242 IZWCFYXEMONAJT-UHFFFAOYSA-N 424.473 1.257 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@H](O)CC3(C#N)CCOCC3)C2=O)c1 1307563922 FPYMTCJWGDWZNE-YLJYHZDGSA-N 417.506 1.812 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N=[S@](C)(=O)c2ccccc2)c1 1309076438 ISUFPBPDPORWLG-AREMUKBSSA-N 405.501 1.940 30 10 HDEE COc1ccc(C[C@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1312412241 KGUQZFSTNHQKMQ-UVFQYZLESA-N 421.519 1.462 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314728822 FSSOCVZPMSIJML-FQEVSTJZSA-N 415.519 1.288 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1cnnn1C 1316281646 JWZOTEIOXKFCNW-HOCLYGCPSA-N 400.487 1.309 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1316536366 HYRZJYHDVNKSGW-HOTGVXAUSA-N 415.498 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(CC#N)cc1)CCO2 1324173899 GYCGNOWXTWKGGM-UHFFFAOYSA-N 407.492 1.763 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1328769971 FSNVKCIRVRWYPE-QYZOEREBSA-N 402.470 1.466 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 1351055794 PHXUEEUUXIKKKH-LJQANCHMSA-N 422.551 1.422 30 10 HDEE C=CC[C@]1(C(=O)NCCOCCS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1353762156 UOSJKFIXQAOKMT-GOSISDBHSA-N 404.529 1.510 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358955492 MWYAZBNDUOFPKJ-RBSFLKMASA-N 414.491 1.133 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1358962747 VZUPSDUHAAAXDB-OAHLLOKOSA-N 420.564 1.575 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358966945 ABQAURXXMIZYFI-YESZJQIVSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)OC 1358979556 QJAUYIJDUFUBTQ-DLBZAZTESA-N 417.510 1.694 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1Cc1nnc2n1CCC2 1359013858 NYUQUGFVWZNDFK-UHFFFAOYSA-N 407.478 1.911 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2C)CC1 1359029465 YTMPXHFICBEDID-IKGGRYGDSA-N 408.572 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)F)CC1 1359045553 LPICUUBFNSCEDH-HNNXBMFYSA-N 411.453 1.030 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1359062381 FZKDPWFWWWAYRD-JOCHJYFZSA-N 412.538 1.909 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359094108 XETOCDTZJCGONM-IEBWSBKVSA-N 410.526 1.808 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1359179309 RBATUCQUJUMHEB-MRXNPFEDSA-N 423.539 1.425 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1C(C)(C)C 1359335699 SBVVTVDDKMXJDG-UHFFFAOYSA-N 421.571 1.237 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCN(C)CC1 1439605336 WKIUPBGBVNXQKO-UHFFFAOYSA-N 423.510 1.016 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@]4(CCOC4)C3)C2)C1 1448097843 QFUVYOOBHLSJPI-HESSTHLMSA-N 405.495 1.791 30 10 HDEE Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(O)n1 1451792033 BZGCTYKIDHVWCJ-UHFFFAOYSA-N 414.487 1.684 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1454279011 GAYTWJOHRBPKAX-GFCCVEGCSA-N 416.507 1.394 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)/C=C\C(=O)c3ccc(C)cc3)C2)cc1 1466549986 RRZZXUXLUWUTFB-QXMHVHEDSA-N 414.483 1.932 30 10 HDEE C=CCOc1ccc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1470123781 PXXWMOKKHIZAIZ-HXUWFJFHSA-N 402.539 1.847 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1470352404 IIGNRSMGZLXQDY-KRWDZBQOSA-N 410.515 1.233 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cs1 1492675438 YQYBTFPGMKZXJU-CRAIPNDOSA-N 406.487 1.881 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1503359091 HDNRGNVTQJEHTJ-QRWLVFNGSA-N 404.490 1.873 30 10 HDEE COCCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1504749030 WMWRRERCMDDQOX-BBWFWOEESA-N 407.515 1.794 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507564065 MFHGCNUPLJUPFG-SQNIBIBYSA-N 421.567 1.793 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC[C@](C)(O)c1ccccc1 1507636899 FMLBLXKHOOVNBO-QHCPKHFHSA-N 405.502 1.885 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1507687587 RAJDNTBWBUJNEJ-GOSISDBHSA-N 406.490 1.864 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1507716861 VEWDKKYUUJYMQI-UHFFFAOYSA-N 410.522 1.243 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1507773376 QWPYCCBXMTVCOR-FXAWDEMLSA-N 406.552 1.989 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1507943833 MHLAWDCQUCPVGZ-MRXNPFEDSA-N 410.588 1.919 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1507953994 JTRXIYJHDRFSAD-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE N#CCSCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCO[C@H]1c1ccncc1 1522160588 MHSLVNPSZZNOTA-GJGATLCTSA-N 400.504 1.664 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC1 1529311909 CGPAIPKXORKXLQ-UKRRQHHQSA-N 401.529 1.998 30 10 HDEE C[C@@H](C(=O)Oc1cc(Cl)cnc1I)n1cnc(C#N)n1 1534164281 ZDWLREOWWJKNPD-LURJTMIESA-N 403.567 1.969 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1537782329 IBOYMURCJVOHNO-UHFFFAOYSA-N 401.492 1.618 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1538577825 RWMHYWYBFCICQS-LSDHHAIUSA-N 417.528 1.236 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1539180245 YCFBHLPGYZGLBA-GOSISDBHSA-N 402.520 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1CN(C(=O)OC(C)(C)C)C1 1539257528 VIOLAPXKNBXDIQ-UHFFFAOYSA-N 409.494 1.618 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC(F)F 1539285753 OTIGOUFEDTUZMT-UHFFFAOYSA-N 410.428 1.804 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CC1 1539324250 RXUAPIXTSNTWHD-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCSC(C)C)CC1 1539445697 COYMNDQOZOZFHZ-UHFFFAOYSA-N 416.551 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(N)=O)C1 1539615195 HBBGSYBHXOVDRI-MHORFTMASA-N 421.542 1.685 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1539742348 BKVIUGAHERKTPE-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)ccc2C1 1540861660 AWQKPDCRNBSORE-UHFFFAOYSA-N 400.458 1.420 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOCC1CCOCC1 1543249428 RWYQIIIWXUAEPH-UHFFFAOYSA-N 412.494 1.955 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1545113947 IDDQBLMBXUKMBD-INIZCTEOSA-N 410.478 1.291 30 10 HDEE COC[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555351852 CLMXIJBTAYQDIC-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOCC2)CC1=O 1555574336 FPINKTQEIXKOTJ-KRWDZBQOSA-N 410.478 1.148 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)C(OC)OC)CC2)CN(C(=O)OC(C)(C)C)C1 1557439927 TUSFUTHEDBBLRJ-UHFFFAOYSA-N 411.499 1.089 30 10 HDEE CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1557582488 ZBVBLSIWGWTAMP-UHFFFAOYSA-N 402.414 1.533 30 10 HDEE Cn1c(=O)[nH]c(N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c(C#N)c1=O 1559200732 XBGSWSOGFJRNPP-VQIMIIECSA-N 422.416 1.948 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 1560139842 IKONVRPBUMKIII-UHFFFAOYSA-N 404.470 1.831 30 10 HDEE O=C1C=COC2(CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)C1 1565163726 NGRJJDVSZKJRKB-LJQANCHMSA-N 400.479 1.330 30 10 HDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566872870 MLMUNKSWIFUYDH-IRXDYDNUSA-N 408.495 1.816 30 10 HDEE C=CCN(C(=O)c1ccc(I)cc1O)[C@@H]1CCS(=O)(=O)C1 1583029634 CBGNXHRQJYBNDV-LLVKDONJSA-N 421.256 1.812 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)ccc1F 1583206984 WUOKCQJDRIATLI-ZDUSSCGKSA-N 420.466 1.750 30 10 HDEE N#C[C@]12CN(C(=O)CSc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1585655353 REXIRNKNZIIOKQ-XHDPSFHLSA-N 415.334 1.938 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)CCS2(=O)=O 1586023655 ZSVYOQJIYZZMEJ-CZIMDPTCSA-N 416.499 1.677 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)cc1 1587441236 GDYAZCYMSZAXHW-UHFFFAOYSA-N 423.498 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1587567860 KZSNRECINNXECB-YWZLYKJASA-N 401.515 1.783 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1588049587 ITQRAPYSYGIOLF-QGZVFWFLSA-N 402.524 1.447 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OCC)c1 1588128056 BJSAQMVXVACOTL-KRWDZBQOSA-N 407.474 1.758 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1588149224 JVGQVHJTWTYRKN-UHFFFAOYSA-N 417.510 1.409 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccsc2C(F)(F)F)CC1 1588198958 CNRWIDNVCRIIIN-ARJAWSKDSA-N 407.439 1.392 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC2(O)CCOCC2)CC1 1588884639 HYIGUQYYEZSNTC-UHFFFAOYSA-N 417.554 1.473 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1594807687 WQQPWMKRYHYGQK-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1594943309 NZKMGGGQPPSVHY-MRXNPFEDSA-N 423.521 1.535 30 10 HDEE C=CCNc1ncc(C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)s1 1595169687 WDOICZRLCANOMU-UHFFFAOYSA-N 401.492 1.246 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCN(C)C1 1595303680 XYIIZIBYBXCZEV-IBGZPJMESA-N 406.556 1.339 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1595506829 NRPXBIQHRPEEMX-LJQANCHMSA-N 420.876 1.742 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1595871180 IVWTWXLYGLFYIC-STQMWFEESA-N 401.558 1.018 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 1596454172 JXXDMMJKJOUTLD-CQSZACIVSA-N 403.378 1.246 30 10 HDEE COC[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1597546077 CXOSYHWAPJKGQJ-DLBZAZTESA-N 417.462 1.697 30 10 HDEE Cc1nccn1CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1612452944 YTBPNTNPYCEVAK-PMACEKPBSA-N 417.489 1.966 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613238221 ODFKBBFZWOFYNA-AHJFAAIASA-N 401.446 1.760 30 10 HDEE CCN(CCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1615623551 ANBIUTWVHDEXRH-AWEZNQCLSA-N 406.516 1.145 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1615843090 KAWCZVGKOVCWQV-OTWHNJEPSA-N 403.575 1.936 30 10 HDEE Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617486556 FVLHWIAEJGNGEF-QFYYESIMSA-N 423.292 1.346 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1619399858 LEESPWQCKNBESR-INIZCTEOSA-N 422.445 1.592 30 10 HDEE COCc1nc(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)cs1 1619671936 BLJJYXRVQIYRIP-KRWDZBQOSA-N 407.475 1.509 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)[C@@H]4C[C@@H]4C#N)CC[C@@H]32)CC1 1626483940 BKOPIFQZAYWEIB-DZUCGIPZSA-N 417.510 1.540 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@H](C(=O)C4CC4)C3)C2)C1 1626709586 QSKQFZZIPRLINF-IZCOPSDLSA-N 417.506 1.980 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C#N)CO)c1 1627542892 COGPCTGADKKQNT-JTQLQIEISA-N 404.286 1.094 30 10 HDEE C#CC[C@]1(C(=O)NCc2nc(C)c(C(N)=O)s2)CCCN1C(=O)OC(C)(C)C 1627700909 XRBKESPOUHRCTP-LJQANCHMSA-N 406.508 1.960 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCC2(C#N)CCC2)CC1 1630198029 GMMACVFQTVYMOL-UHFFFAOYSA-N 419.503 1.684 30 10 HDEE CN(C)CCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 1630386270 RADIJHXIEQDHRE-RELWKKBWSA-N 418.523 1.510 30 10 HDEE N#Cc1cccc(C(=O)NCCCn2nc3n(c2=O)CCCC3)c1Br 1630390814 IYCNTDKDKGQWBY-UHFFFAOYSA-N 404.268 1.835 30 10 HDEE C#CC1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1630856046 BUXNPWRVXDAOQI-ICSRJNTNSA-N 404.532 1.806 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1630988097 PMRXWTDFZCWQSM-STQMWFEESA-N 409.936 1.563 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1632032228 SZKRIVISJBMOIG-ICSRJNTNSA-N 421.563 1.983 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccncc1)C(=O)OC 1632903869 MMFJIFFTAVTTBC-DLBZAZTESA-N 403.479 1.836 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OC 1634885016 PKHKDDSRLBJHOR-MRXNPFEDSA-N 410.492 1.804 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636696233 LCXSTKILTDEPBK-CGKYYLKJSA-N 403.504 1.064 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1637576238 XEEBXDZBLOIDOP-ABAIWWIYSA-N 403.382 1.549 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)CC(OC)OC)c1 1638342729 RKIKFFLWPSTVPB-UHFFFAOYSA-N 411.476 1.108 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)n1 1638703101 JFHUMTWNLVBCKM-UHFFFAOYSA-N 400.420 1.591 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 1639105916 UZKACRHFNDINRH-CEXWTWQISA-N 415.515 1.510 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(N)noc3c2)ccc1F 1639554373 QELMXXBYOWLYQE-UHFFFAOYSA-N 404.423 1.943 30 10 HDEE CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 1640322521 HCBLLKAQYUFELR-CRAIPNDOSA-N 407.536 1.919 30 10 HDEE N#Cc1ccc(C2(NC(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CCOCC2)cc1 1642637210 XEPFYJGDGNAJIT-UHFFFAOYSA-N 409.851 1.888 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)Cc1cccc(OCC#N)c1 1645563834 KDQZQNONHYWFRI-OAQYLSRUSA-N 419.478 1.246 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CCCCCO)CC2)ccc1F 1648053852 KNNZDQIELQHBLE-UHFFFAOYSA-N 413.515 1.210 30 10 HDEE N#Cc1c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)sc2c1CCCCC2 1648446347 HNZPEXOAAYNCBI-HXUWFJFHSA-N 404.536 1.206 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1 1648718989 AGFBZYXNAAUXCV-GCJKJVERSA-N 408.458 1.753 30 10 HDEE C[C@H](SCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1nc2ccccc2[nH]1 1648787523 QYQFVWOIVISKGD-NSHDSACASA-N 410.459 1.575 30 10 HDEE CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649041483 SZZJIALZXLFSDZ-ZDUSSCGKSA-N 415.368 1.594 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1650977889 MMJBRXSEPOUCMU-RTBURBONSA-N 422.570 1.206 30 10 HDEE CN(Cc1nnc2c(=O)n(C)ccn12)C(=O)CCC(=O)N(CCC#N)c1ccccc1 1651870797 HCXKKSXUPKDCPM-UHFFFAOYSA-N 421.461 1.113 30 10 HDEE Cn1c(N2CC[C@]3(CCCCN3C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1652258859 VKHPWUHEAZGXBW-HXUWFJFHSA-N 403.483 1.326 30 10 HDEE CC[C@@H]1C(=O)NCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1652444260 AHVAZMREEQUWGP-KXSVDRQTSA-N 404.511 1.900 30 10 HDEE N#C[C@@]12CN(Cc3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1654888975 MZRWJAXDMOYVTP-JSGCOSHPSA-N 402.257 1.661 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 1655296952 PUKPWLRZHUTLSZ-IXDOHACOSA-N 422.576 1.108 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 1655595271 DXMPRCGUHCHMJP-IBGZPJMESA-N 400.504 1.592 30 10 HDEE CC(C)N1CCN(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1658078688 IKTRJCHYNXSSOL-UHFFFAOYSA-N 408.546 1.776 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H](CO)Cc2cc(F)cc(Br)c2)CC1 1663748812 BAMZZYZXZIVXAL-GFCCVEGCSA-N 405.289 1.962 30 10 HDEE C#CCN(C(=O)NCc1cc(C(N)=O)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1670848137 KMUJBNASIORVDE-UHFFFAOYSA-N 405.455 1.318 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1C 1671494867 HHJIVIAYYWCKKU-YVSFHVDLSA-N 409.531 1.496 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC)C(C)(C)C 1673213826 VGVGFLPJFVHJTA-KRWDZBQOSA-N 409.508 1.886 30 10 HDEE CC(C)[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1673961864 LRSUYLMRQOZRAT-AWEZNQCLSA-N 405.455 1.001 30 10 HDEE C#CCOCCNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140035 CIVGZCQOSOOHFD-UHFFFAOYSA-N 409.284 1.499 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCCCO 1689965813 DKHHPXLSHQTJMD-INIZCTEOSA-N 407.515 1.819 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1689987697 ATFCLWLOHHIWFC-KRWDZBQOSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690009942 PMOFFOSQEICXDJ-KRWDZBQOSA-N 406.446 1.015 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCc2nccn2C1 1690029607 FAVSLBYGDNSINM-BJLQDIEVSA-N 408.506 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690052646 NPOUOISYXGKCIF-NZQKXSOJSA-N 422.533 1.941 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CO)c2)CC1 1690146568 QUUBYUDNLINCKK-FQEVSTJZSA-N 423.517 1.288 30 10 HDEE C#CCSCCn1c(N2CCN(CC#C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690185660 CEYYIUXDSYUKCX-NRFANRHFSA-N 417.579 1.440 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)C(C)C 1690188759 OLSHPEGECOEIED-OAQYLSRUSA-N 402.543 1.961 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C)C1 1690228716 DDHNZROPIQPZMJ-JHJVBQTASA-N 419.345 1.702 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccn2)CC1 1690299114 FPTAKWLSRDJQGI-UHFFFAOYSA-N 414.514 1.126 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1690674038 MTNYDZACPIMMDF-UHFFFAOYSA-N 413.526 1.460 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)nc2)C1 1692844996 AZQLDPITVJQVIB-JOCHJYFZSA-N 416.489 1.936 30 10 HDEE COCCCN(C)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697988832 UFVKVBPUBGWPCW-UHFFFAOYSA-N 415.517 1.892 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc2c(c1)OCO2 1705572907 SLQHIMNKZQXXBH-UHFFFAOYSA-N 414.425 1.775 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1=CCCOC1 1705576527 MXTLWZGIFXIHJG-UHFFFAOYSA-N 410.499 1.768 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1705819596 PKQKZUBNMBWPEG-SJORKVTESA-N 411.572 1.303 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705835109 AABKMKWIKFOCPY-INIZCTEOSA-N 405.421 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1722297084 XDZDBQHWFDPGML-KSZLIROESA-N 407.584 1.759 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1722411765 PDRDLFUPLKDDOH-QFIPXVFZSA-N 422.537 1.390 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1722414023 OEXKUZFSPFXXPI-UHFFFAOYSA-N 401.898 1.841 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C)o1 1722451062 FPZWOFXWKZZODN-CQSZACIVSA-N 411.553 1.793 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722675961 VLSFRTVQUABGOK-FQEVSTJZSA-N 422.551 1.953 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722739892 YNKHMFXKXJRSEZ-CABCVRRESA-N 400.570 1.715 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCNS(C)(=O)=O 1722868949 FNMHUODDKIZSTN-CYBMUJFWSA-N 410.475 1.141 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1723643076 DXDMLGOQEBLGIV-NRFANRHFSA-N 407.478 1.200 30 10 HDEE C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1736314970 JSAAOSRHBDXFSL-UQZKUAJDSA-N 404.507 1.126 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1740558420 VDFMOWFXWPCZDF-HNNXBMFYSA-N 416.507 1.126 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1740640928 ZLPOEQJNXIVXLC-ZULIPRJHSA-N 405.502 1.357 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCN(C)C1 1740939098 QWCSBRHDZXWWBJ-LJQANCHMSA-N 406.918 1.699 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C(C)(C)C)C1 1740952603 JDFBHVGIBQUQDK-HZPDHXFCSA-N 409.531 1.556 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)CC1 1740963009 WSRLMPJWZCBJDC-UHFFFAOYSA-N 404.540 1.001 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3noc(C(C)C)n3)C2)nnc1C(C)(C)C 1740964575 FGGVXNVJHHXMHY-CQSZACIVSA-N 417.514 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1740987206 QQNXMYPDSUCAMN-HNNXBMFYSA-N 413.544 1.681 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCN(C)C)CCOC1 1741725299 RZDYRPGZQOYUHU-OAQYLSRUSA-N 420.558 1.637 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1744676940 ABQRNPCZWUJTTI-JOCHJYFZSA-N 409.538 1.495 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)no1 1744770547 DDTIZXMIVPWRJA-GOSISDBHSA-N 421.461 1.788 30 10 HDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1744801750 BDMZMCQSCHATFD-WMLDXEAASA-N 407.482 1.925 30 10 HDEE CCN(C)C(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1745891098 LSFQUGYDVKWECK-CYBMUJFWSA-N 404.421 1.354 30 10 HDEE CCS(=O)(=O)CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1747411361 OMJZUCGNQBPHIQ-MAUKXSAKSA-N 413.544 1.567 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@H]2CCCO2)cn1 1748009465 ILUMPOBUKPTTQE-VQIMIIECSA-N 403.462 1.706 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@@H](C2CCC2)C1 1748751109 CBGOUPBAGPILLQ-MSOLQXFVSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1748766359 NYWVOHLGOTXHMT-NVXWUHKLSA-N 404.540 1.261 30 10 HDEE COc1ccc2c(c1)nc(Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)C#N)n2C 1748885010 HNLJSXANQZFRJL-CQSZACIVSA-N 424.509 1.956 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1749020417 SCWCZTQCMIXDQH-CQSZACIVSA-N 406.556 1.230 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOCC)CC1 1749626056 KYIDLDOHFZGJRP-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE C=CCn1c(N2CCN(C(=O)N(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1749645933 HVAYKDQZPOUSOM-HXUWFJFHSA-N 406.531 1.700 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCCOC1 1749732316 VMFCBGRJOBAWBT-SJORKVTESA-N 412.556 1.636 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)C1 1750379301 DSGAIZMWDBJBMG-XJKSGUPXSA-N 402.396 1.861 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1751014795 BTGAAKDYUZYDAO-NHCUHLMSSA-N 418.542 1.125 30 10 HDEE C=CCCCC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1758794406 JLUFCHSZQBESJX-SGTQZHETSA-N 403.523 1.237 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760140971 FTBRRTVMCRQZAM-FQEVSTJZSA-N 400.483 1.235 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cnccc1OC 1760202116 SVCDZJRHGBXVRZ-UHFFFAOYSA-N 404.430 1.531 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCCCO1 1760209687 GSZHELSDJWDLMF-SJORKVTESA-N 407.540 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1nnnn1CC1CC1 1760220465 KNSWDELPVRGDKB-UHFFFAOYSA-N 401.478 1.172 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(OC)CCOC2)CC1 1760255483 BRUZWRKNXFWTKH-HXUWFJFHSA-N 416.913 1.554 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCc2n[nH]c(C)n2)CC1 1760257664 DIADUWKPXZCAJM-UHFFFAOYSA-N 406.494 1.378 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCN2CC)CC1 1760263717 MLNPMRUJLPPIOH-ZCNNSNEGSA-N 416.570 1.242 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760348944 SEPOHJGCXXVXQU-QGZVFWFLSA-N 404.515 1.212 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCN(CC)CC2)CC1 1760388112 ZISRAXZKRGUAPB-IBGZPJMESA-N 415.586 1.803 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760520559 RTVFCONEHWQHLV-HNNXBMFYSA-N 412.494 1.313 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760527009 LBHLCFCNHBQALT-UHFFFAOYSA-N 406.494 1.126 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N(C)C)C1 1760544661 FAIXZNMODLWFEX-INIZCTEOSA-N 406.512 1.013 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](F)COC 1764180993 LEBOGPDGICGDFO-RHSMWYFYSA-N 421.521 1.358 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1765446498 FARXFNXFYZHEMT-HRCADAONSA-N 411.576 1.359 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1767599291 PYQOBFAYDDNHEI-CYBMUJFWSA-N 410.482 1.471 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnn(C)c1 1767965278 CYRVKIONPFRYRK-UHFFFAOYSA-N 420.521 1.790 30 10 HDEE CNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@](C)(C#N)C1 1769328763 CJSFSBUAWXIQQH-NRFANRHFSA-N 420.477 1.860 30 10 HDEE COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1769852947 VUTAQVNMLQLXEX-OIISXLGYSA-N 418.523 1.278 30 10 HDEE CN(C(=O)c1cc(-c2ccc(F)c(F)c2)nn1C)C1CN(c2nccnc2C#N)C1 1849858892 ZECDOMBJNZUNFH-UHFFFAOYSA-N 409.400 1.988 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C2)c(C#N)cc1C#N 1851054392 AYIJZUKLKZMSTR-AWEZNQCLSA-N 411.368 1.521 30 10 HDEE C=CCN(CC(=O)Nc1ccc(I)cc1)[C@@H]1CCN(C)C1=O 1851342638 KJEQLAJUGMIQIG-CQSZACIVSA-N 413.259 1.948 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@H]1CCN(C)C1=O 1851342653 KXBLBKNZLFSCSA-SFHVURJKSA-N 405.520 1.720 30 10 HDEE C#CCSCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 1853274431 OFIJFMCOJVFVGP-IBGZPJMESA-N 419.572 1.292 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CC(COc4ccccc4)C3)C2=O)CC1=O 1853650561 AXNJWWKPUSQOMF-QUCCMNQESA-N 411.502 1.549 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CC(COc4ccccc4)C3)C2=O)CC1=O 1853650562 AXNJWWKPUSQOMF-UYAOXDASSA-N 411.502 1.549 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cnccn4)C(=O)C3)C2)c(F)c1 1854197119 YNWDEKUKCQMIES-QGZVFWFLSA-N 408.437 1.046 30 10 HDEE COc1ccc(O[C@H](C)C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855097533 HJTQMEKCBHTPDQ-SJORKVTESA-N 400.479 1.121 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ccnnc4)CC3)CCC2=O)cc1 1855175736 YGOFVHGMBMWKAW-GOSISDBHSA-N 404.474 1.549 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)[C@H]3CCOC3)C2=O)CC1 1855592103 BASYUFOYNYTTOP-OALUTQOASA-N 412.490 1.598 30 10 HDEE Cn1nc(-c2ccc3c(c2)OCO3)cc1C(=O)N1CCN(CCC#N)C(C)(C)C1=O 1855928145 DQTQRCBULICDHG-UHFFFAOYSA-N 409.446 1.792 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(N(C)C)nc2)C1)[C@H]1CCN(C)C1=O 1857050899 RDISDGUFUYJMRO-AEFFLSMTSA-N 413.522 1.245 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cn(CC)nc2C)C1)[C@@H]1CCN(C)C1=O 1857052968 FIBHAYIEGYPGAM-FUHWJXTLSA-N 401.511 1.309 30 10 HDEE NC(=S)N/N=C\c1cn(-c2ccc(N3CCOCC3)cc2)nc1-c1ccccn1 1857807550 OMRIUVCNSFAFSJ-QRVIBDJDSA-N 407.503 1.938 30 10 HDEE Cn1c(=O)oc2cc(S(=O)(=O)N(CCO)[C@@H](C#N)c3ccc(F)cc3)ccc21 1857960070 DRKGBPPHEWUAGQ-INIZCTEOSA-N 405.407 1.518 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](CC)CO)c(C(=O)OCC)c1C 1860760637 AZSUBXJNIOYPAR-NSHDSACASA-N 412.464 1.402 30 10 HDEE C=CCOc1cn(CCOc2ccc(OC)cc2)c(CN(CCO)CCO)cc1=O 1870387878 XGUUKRZHDKXJOQ-UHFFFAOYSA-N 418.490 1.287 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 1889844676 VBLFYQKXPVBXAZ-QGZVFWFLSA-N 411.506 1.408 30 10 HDEE CN(CC1CCN(C(=O)Cn2cnc(C3CC3)cc2=O)CC1)c1ncccc1C#N 1890157904 VAGVCJYKTGCQRM-UHFFFAOYSA-N 406.490 1.762 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNOCc1ccccc1 1900393743 JCBDSSKFDVPQSD-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@H]1OCC 1982302443 IXDAIKSRLBUDSX-QJPTWQEYSA-N 413.334 1.885 30 10 HDEE O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1cnc[nH]1)c1ccc2c(c1)OCCO2 2033813849 WGUZIYQMDVONOO-CQSZACIVSA-N 411.399 1.815 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC(=NO)C1 2046025780 LYNKJUVUJHCNBU-UGSOOPFHSA-N 411.455 1.703 30 10 HDEE N#Cc1ncccc1C[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074696425 RELRVTNOHYWKBT-DEXQXJORSA-N 401.444 1.972 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074708709 JFINTNHSJJINFJ-DEXQXJORSA-N 410.492 1.539 30 10 HDEE CC1(C)OB(c2cnc(N3CC(N4CCOCC4)C3)c(Br)c2)OC1(C)C 2172776965 WLAPEVYVROLMPB-UHFFFAOYSA-N 424.148 1.664 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174784005 JIRVGTNUVQOVBW-KRWDZBQOSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1(C)C 2174785756 CCFYFJGFXLESJS-ZIAGYGMSSA-N 401.529 1.918 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2c(s1)CCN(S(=O)(=O)N1CC(C#N)C1)C2 2174788315 DEJOTMBSLXXYMZ-UHFFFAOYSA-N 413.525 1.226 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2243686012 GASZBUWLYJDHFB-LSDHHAIUSA-N 406.288 1.322 30 10 HDEE Cn1ncc(C(=O)NCCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915887 LIOWEZYKZOTHHN-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE Cn1ncc(Br)c1S(=O)(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2251299028 OXIYOBYCIXLDHO-VOTSOKGWSA-N 406.111 1.649 30 10 HDEE Cc1nsc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2267377783 HXLYVKQOGSPONL-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](N)C(F)(F)F)OC1(C)C 2267712334 DJRADOPORCMFHG-VIFPVBQESA-N 400.253 1.215 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NCC3SCCS3)c2)OC1(C)C 2267715029 QVMAQFUBLPPNCZ-UHFFFAOYSA-N 402.372 1.465 30 10 HDEE C[C@@H](C#N)C1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270537174 ZVBXJYVOTBUEJD-YOEHRIQHSA-N 423.491 1.567 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1ccc(F)c(C#N)c1 2281158513 DGUNOENNYGQDKG-UHFFFAOYSA-N 401.460 1.595 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)C[C@]3(C)CO)sc2Cl)OC1(C)C 2281971412 HVCUTCRWSPWXKA-DYZYQPBXSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CNC[C@@H]4C3)cc2Cl)OC1(C)C 2282305089 TVGUDSJEBKOHOP-GHMZBOCLSA-N 418.777 1.541 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@](C)(CO)C1 2282318495 GSMFBPDWULXEHF-QASKLWRZSA-N 401.359 1.795 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336618 AIVYEMBEQSCHHI-CQSZACIVSA-N 400.375 1.762 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282494015 WMQJKWUAFTZVDM-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CNC[C@H](C)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282496277 YDECWLLYWHDGRB-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282499692 FGTFZVRRVTWZRW-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCCNC2)OC1(C)C 2282506679 VYVKRXAHKGPTDL-LBPRGKRZSA-N 401.363 1.004 30 10 HDEE CCS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282601473 DSFVBQJOQVBTTH-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CN(C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)[C@@]1(CN)CCOC1 2282638791 RQMWMOQAKCVLQP-QGZVFWFLSA-N 400.737 1.891 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@](C)(O)C3)c2Cl)OC1(C)C 2282663234 MPMCDXWKOUEVOA-APPDUMDISA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4CNC[C@@H]43)cc2Cl)OC1(C)C 2282827725 CGQYYDDRQLURRU-PWSUYJOCSA-N 418.777 1.683 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(C)CCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282833590 JAGHZRPZWPBUAJ-YVEFUNNKSA-N 401.359 1.938 30 10 HDEE CO[C@H]1C[C@@H]1CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843315 LKLIGEADWGVGSG-YPMHNXCESA-N 402.347 1.239 30 10 HDEE CCN[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848490 OAMJZDAZIWTXQO-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H]4[C@H](C3=O)C4(F)F)c2)OC1(C)C 2282848897 UELNLRQNMGHHGD-GXSJLCMTSA-N 405.253 1.460 30 10 HDEE COC[C@@H]1C[C@H]1CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282864400 FPNVYHDLEHRPRQ-STQMWFEESA-N 401.359 1.950 30 10 HDEE C[C@@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870660 VXTLFTJECSKCOG-STQMWFEESA-N 401.359 1.892 30 10 HDEE CC(C)(NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)[C@@H](O)C(=O)O 2284378584 POAHMIJEMPBIDO-JTQLQIEISA-N 403.693 1.655 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284394799 CKKMADQAWWJRDH-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284395227 JDBXKSISCHSTBM-NSHDSACASA-N 403.331 1.887 30 10 HDEE CC(C)(ONS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400483 ALQBLXASCSYKET-UHFFFAOYSA-N 405.303 1.262 30 10 HDEE CN(C1(C(=O)O)CCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284401252 GLLCXNHRSBQWKI-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284414690 SRKXBXKEFUZFDQ-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE C=CC[C@H](N)[C@@H]1CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2314268079 UUXVIDHEYYLBCM-TXPKVOOTSA-N 409.483 1.318 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2F)CC1=O 2327842812 SPFJFNUGWMDRNP-CYBMUJFWSA-N 418.498 1.991 30 10 HDEE COc1ccccc1C=Nn1c(SCC(N)=O)nnc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c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C 2370704448 DUTCASSALVRGIA-XQQFMLRXSA-N 401.359 1.827 30 10 HDEE NC(=NOCC(=O)N1CCCCC1)c1nnn(-c2ccccc2)c1-c1ccncc1 23619 KHCKKEOALBGVBK-UHFFFAOYSA-N 405.462 1.979 30 10 HDEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CCCC2)NCCCN2CCOCC2)n1 14158367 PAMXIDGQAKJJKH-UHFFFAOYSA-N 419.599 1.990 30 10 HDEE CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)C=CC(=O)[C@]1(O)COC(=O)c1ccccc1 85881149 WNBGLCKIRRONIV-KKLQWCBXSA-N 424.405 1.871 30 10 HDEE biogenic C=CCn1c(=O)/c(=C\c2ccccn2)s/c1=C(/C#N)c1nnc2n1CCCCC2 96793315 NNMYQTFUSQCRJD-LJUSINLQSA-N 404.499 1.360 30 10 HDEE C[C@H]1Oc2ccccc2N(CCC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 105283451 NQESRBMAIAHXRJ-MRXNPFEDSA-N 405.458 1.806 30 10 HDEE COc1cc([N+](=O)[O-])c(/C=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1O 169906059 PDLAOOPZSNQQSD-RQZCQDPDSA-N 411.392 1.639 30 10 HDEE COC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cnn(C)c3)[nH]2)cc1 253572792 QPJSRYXXQVKOJX-CNHKJKLMSA-N 414.451 1.502 30 10 HDEE NC(=O)[C@H](C/N=C(/N)N1CCN(c2ccc(F)cc2)CC1)Cc1ccc(F)cc1 303884027 MNMDRCBDXRFQNW-INIZCTEOSA-N 401.461 1.746 30 10 HDEE CN(C)c1nccc(N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)n1 409746440 LONHWESEIXJCRU-UHFFFAOYSA-N 402.462 1.562 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 410067066 JDRMCXZTAXCJKU-UKRRQHHQSA-N 417.325 1.655 30 10 HDEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1)O[C@@H](C)C2 410125342 OFEFHZHYBNHWOI-QEWYBTABSA-N 407.492 1.323 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C)cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c1C 427103217 VCVLNNNNOCBZHW-UHFFFAOYSA-N 408.505 1.930 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC[C@H]3CS(N)(=O)=O)CC2)nc1 443628515 ZHSKTNJGNMIAHG-PCKAHOCUSA-N 407.496 1.106 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 464046323 JSVWCEBANDRQGS-ZACQAIPSSA-N 421.494 1.423 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCn2c(CO)nnc2C1 471036217 XJKBATAOBVQJAI-GFCCVEGCSA-N 400.508 1.815 30 10 HDEE CO[C@H]1CCC[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 474206806 AOLLMJYRPSCERS-WMZOPIPTSA-N 405.520 1.986 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1C#N 489118653 UHHXXPLKFZMLLU-UHFFFAOYSA-N 421.567 1.366 30 10 HDEE Cc1cccn2c(=O)c(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cnc12 489244128 ZEUWKFWNMKUPKR-SFHVURJKSA-N 401.426 1.406 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)F 498847425 XRXZKKHKIRISLA-UKRRQHHQSA-N 414.478 1.413 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)cc1Cl 502797426 XNEHQGZURWMHSI-UHFFFAOYSA-N 411.892 1.871 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508879735 HIWDGTLMVHFAQG-GOEBONIOSA-N 415.523 1.875 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCN(c2ccccc2C#N)CC1 521210249 ARPKWWBBZCLQDS-UHFFFAOYSA-N 419.528 1.863 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 524367022 GLVZMJLAWPLPKX-KRWDZBQOSA-N 406.552 1.306 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n(C)n1 526030313 REVRRLPAOORELP-QGZVFWFLSA-N 411.510 1.898 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 526110930 DGJQXKYHNUALRP-JCYILVPMSA-N 421.523 1.366 30 10 HDEE CC(C)[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 538969253 HXFDMNXOFUHASP-QZTJIDSGSA-N 420.535 1.778 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](C)c3cn(-c4ccccc4)nn3)CC2)o1 541691267 WOHHKKAPQHRJBX-OAHLLOKOSA-N 420.477 1.435 30 10 HDEE Cc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(C)c1OCC(=O)O 546268031 KINXELOZSSLNFR-UHFFFAOYSA-N 404.444 1.996 30 10 HDEE N#Cc1cccc(CN(CC(=O)O)S(=O)(=O)c2ccc(Br)cn2)c1 548578356 PTBPNKOQQGQEOH-UHFFFAOYSA-N 410.249 1.991 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCc2ccnc(O)c2C1 558452464 KNUCBPBYBZPMAU-UHFFFAOYSA-N 401.434 1.770 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@H](C)O)cc1 584867895 SDCIYHVCPVBDJL-KPZWWZAWSA-N 423.441 1.489 30 10 HDEE Cc1ccn2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2n1 609031053 BGFXIYUMYFHJEF-UHFFFAOYSA-N 410.459 1.056 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415524 TYAKPIGWUKHZQQ-UHFFFAOYSA-N 415.421 1.798 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](c4nnc(S)n4C)C3)cc2C1=O 732081682 SRUILBYMRAYSBA-ZDUSSCGKSA-N 411.487 1.906 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1 733992973 PQIAYQSGPKXIIO-IBGZPJMESA-N 411.483 1.524 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1cnn(CC)c1 741449120 KHMQPSLWODZIAI-MRXNPFEDSA-N 404.540 1.316 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@H]1CCN(c2sccc2C#N)C1=O 751657353 QEKIBDIFAQICIX-JTQLQIEISA-N 411.486 1.599 30 10 HDEE COc1cc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc(OC)c1O 758416051 WJNVSGLDKYYZSF-KGLIPLIRSA-N 420.466 1.968 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758752898 NREIVCRUARESMR-NUEKZKHPSA-N 404.467 1.787 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 759809009 FLFKQZACQQXIRO-HNNXBMFYSA-N 402.451 1.396 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(C)cc2)C1 760299031 HNYKDJIDDOJQKG-JKSUJKDBSA-N 417.535 1.866 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)Cn2nc(-c3ccccc3)ccc2=O)CCCCC1 760388018 JNBHZBIAFKQJTJ-UHFFFAOYSA-N 414.487 1.830 30 10 HDEE C#CCN(C(=O)c1cnn(-c2ccccc2)c1Br)[C@H]1CCS(=O)(=O)C1 760388537 QUBPHPKQUMGFKV-AWEZNQCLSA-N 422.304 1.897 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)OCC(=O)N(CC#N)c2ccccc2)c1 764039442 NEWZFUIKMMWJPS-UHFFFAOYSA-N 404.448 1.415 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2ccn(CCC#N)n2)C1=O 771362429 UITMBVJSWWDRMQ-HXUWFJFHSA-N 410.434 1.520 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C)c1Br 771935804 YDOHMUQZUKHJHG-GFCCVEGCSA-N 406.323 1.569 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCCC(=O)OC)cc1)[C@H]1CCS(=O)(=O)C1 774218182 IBCQICPZCSIGRG-KRWDZBQOSA-N 422.503 1.351 30 10 HDEE CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 774708280 FYMVNWXQXJAOTH-GOSISDBHSA-N 407.559 1.620 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cn2)C[C@H](C)O1 780293774 XGYRULMTINXYJZ-GJZGRUSLSA-N 414.487 1.827 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C(=O)OCC)c2)n1 788695339 JHUJUMKXYAUORU-UHFFFAOYSA-N 405.476 1.530 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncccc1O 792610872 UFPILTLTAWFLAU-CQSZACIVSA-N 402.476 1.557 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 800773350 HWJUGPTZHOFPOH-LSDHHAIUSA-N 409.487 1.282 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 807109954 OHVAAFDKLKLGTB-NEPJUHHUSA-N 419.404 1.162 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CC1 810986480 AZHPGJGWBHFMLA-LBPRGKRZSA-N 404.535 1.456 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@H]3Cc4ccccc4O3)cc2C1=O 918812066 CMUKIWUKCCEFAR-MRXNPFEDSA-N 420.421 1.745 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 1084494267 LBRJBSBTNKVIPR-UHFFFAOYSA-N 401.412 1.623 30 10 HDEE COC[C@](C)(C#N)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1127360509 CHYDFKDNYCVMAD-KRWDZBQOSA-N 407.268 1.565 30 10 HDEE C#CC[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1131664354 USMPBQHUFQWWQB-HNNXBMFYSA-N 422.503 1.729 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1132307753 SQASENDFBZHBAF-UTKZUKDTSA-N 401.463 1.892 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2ncnc(O)c2Br)cc(OC)c1OC 1142685236 PFLOGJWLEOSJAR-VIFPVBQESA-N 423.223 1.965 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2=O)cc1Cl 1148193502 BZKTZUGJQAPKKT-MAUKXSAKSA-N 416.909 1.934 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1149468691 DUEUBNGBVRJDGJ-CQSZACIVSA-N 409.471 1.420 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 1158599508 LXTZKGGHLRDUSS-HNNXBMFYSA-N 405.520 1.352 30 10 HDEE CC(C)C(=O)N1CCC(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1 1161798184 VKTKDAPCMATREE-UHFFFAOYSA-N 401.463 1.785 30 10 HDEE CN(CC(=O)NCc1ccccc1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1162392688 JOQCETFJZZSHQG-UHFFFAOYSA-N 403.435 1.511 30 10 HDEE COc1cc(C(=O)N2NC(=O)C[C@]23CCN(C(=O)OC(C)(C)C)C3)ccc1C#N 1165823858 UHGBMFZZHYONNU-FQEVSTJZSA-N 400.435 1.824 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2nc(C#N)cs2)CC1 1179371497 KJKPRCCBMVLHKI-UHFFFAOYSA-N 408.509 1.072 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 1194690172 GUUPLVPNHCFUQO-MOPGFXCFSA-N 423.966 1.962 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1196781610 DDWATELSXTUFRN-WOJBJXKFSA-N 406.490 1.682 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cnn2cc(Br)cnc12 1211683360 ABSIBEOGFGMSDW-ZWNOBZJWSA-N 401.286 1.751 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1)C(C)C 1221721193 ABWRTNKWZYPMCQ-UHFFFAOYSA-N 414.550 1.825 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)n(C)c1C 1246167921 YFHCOQYDJUFYBS-ZDUSSCGKSA-N 411.466 1.202 30 10 HDEE CN(CC(=O)N[C@@H]1CC[C@H](C#N)C1)S(=O)(=O)c1ccc(Br)cc1 1276781712 CNBCWWNXANLZPZ-WCQYABFASA-N 400.298 1.878 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1276963408 SQMUDCZSZIGBKI-RPBUXLIISA-N 419.235 1.205 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1286504002 MVTKTKDGVOYYDC-UHFFFAOYSA-N 415.567 1.649 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1286515515 ZLJXGXKZOQRDHC-IRXDYDNUSA-N 407.540 1.037 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286603822 YTORKCXQHUFEKJ-MRXNPFEDSA-N 400.483 1.995 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286635449 SMBSAONAQKTZCU-SFHVURJKSA-N 412.922 1.533 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)CC1 1286656910 RLPBGFGSGDIDHH-HXUWFJFHSA-N 401.515 1.898 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1286779317 ILBSNZGAKFTLHP-CABCVRRESA-N 414.441 1.588 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(cccc2OC)C1 1286786238 PJWVLUTVZBZDNJ-MRXNPFEDSA-N 410.478 1.103 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)S[C@H](C)C1 1286813742 ATVNDIZLNKVRGB-OKILXGFUSA-N 415.585 1.347 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOC[C@@H]1C 1286823776 QXSKLAQSXZJXIL-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1 1287130373 BOWNZXGSKKGGJQ-UHFFFAOYSA-N 406.494 1.807 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)C1=O 1287718466 XLUDPSSHBIWJJB-SFHVURJKSA-N 412.490 1.524 30 10 HDEE C[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)COCCO1 1289050493 BPIAVVWUIDZMQO-HXUWFJFHSA-N 411.466 1.471 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CCC1 1297437438 YRVYEHBBERBSLK-CVEARBPZSA-N 402.499 1.555 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCn3ccnc3)Cc3cnn(C)c3)cc2C1=O 1297661048 IPSAJTNJMUYBNC-UHFFFAOYSA-N 418.457 1.741 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1ccnn1 1300522978 SIDUJVTVULRYFL-UHFFFAOYSA-N 403.446 1.471 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1300762599 KMGALBYYCLPNPM-INIZCTEOSA-N 412.581 1.409 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1300885678 RTZQNPSFQNELTL-ZRNYENFQSA-N 419.570 1.920 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)CC1 1301130002 KOGMOLSJHQTUOH-FQEVSTJZSA-N 417.535 1.823 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1301273917 YHPYCHZHVBMQRZ-AWEZNQCLSA-N 424.596 1.630 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)NC(C)C)C1 1301553666 QLQCWDVOGZOLFZ-MRXNPFEDSA-N 420.539 1.449 30 10 HDEE C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N)N(C)C 1301964497 BAHVMMWEZVYWGR-GJZGRUSLSA-N 418.571 1.784 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)cc1 1303412451 IZKMOMZJLHUTMW-UKRRQHHQSA-N 404.410 1.828 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3cc(Br)c(F)cc3C2)c(=O)nc1O 1304249784 LRUZSFCIUWLCHF-UHFFFAOYSA-N 407.199 1.307 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1304760968 WUGSUGQPLDRURA-VHEBQXMUSA-N 410.482 1.266 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1307893698 VCKHCUKZIARJLL-MRXNPFEDSA-N 405.499 1.555 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)OC 1309573022 JKHWHFVQQWGEQM-AWEZNQCLSA-N 400.522 1.296 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1)[C@@H]1CCS(=O)(=O)C1 1313180271 ZHLACUGGRIPUDU-WOJBJXKFSA-N 419.547 1.028 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1315402236 GQMMDTPACAHPBK-HXUWFJFHSA-N 414.441 1.254 30 10 HDEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316262257 RDLUOZSBZGQJPF-SJLPKXTDSA-N 404.515 1.012 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 1335741283 RHZIMLGWKZCWDJ-UHFFFAOYSA-N 412.515 1.794 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1342019675 QQDISJBHIFWGRN-NHCUHLMSSA-N 414.462 1.619 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1348382051 WTNMYNZDKGZUER-INIZCTEOSA-N 423.535 1.752 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccccc1[S@](=O)C(F)(F)F 1349461789 DXAPQRNTWDNRAT-NDEPHWFRSA-N 413.381 1.998 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC(N)=O 1358906334 DUXJQBLOIIGTOF-OAHLLOKOSA-N 417.535 1.852 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(C2CC2)C1 1358968407 KSYSIFSZOJZMNL-QGZVFWFLSA-N 403.490 1.483 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccs1 1358991580 HHDDBSZSDGTVTL-UHFFFAOYSA-N 405.487 1.690 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)c1 1358999047 BBGXGHOTEADLCN-UHFFFAOYSA-N 410.522 1.761 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2n[nH]c(C)n2)CC1 1359042427 GBEHTULHUAXMLX-UHFFFAOYSA-N 422.493 1.482 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@@H]1C 1359106690 NOGLWXNWMGIPEQ-QRWLVFNGSA-N 400.483 1.868 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1359113450 JEHAHVCBSGQDMN-MRXNPFEDSA-N 412.556 1.514 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1359127283 MWEXHAHTEZSDFR-QAPCUYQASA-N 415.560 1.486 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1359228065 SPUZTHMVTQGUCF-BBWFWOEESA-N 412.556 1.777 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1359300038 SBBVVVPTIGFFMV-DLRJPAPCSA-N 419.526 1.595 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(O)(CC)CC)C1 1359322063 PCICFKBNFNVHDY-JKSUJKDBSA-N 412.556 1.513 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1359331485 APBACYHTWNSSNN-UHFFFAOYSA-N 423.583 1.889 30 10 HDEE COCCn1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1436027036 BSKBEPPBINSBGI-HNNXBMFYSA-N 401.854 1.724 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C(=O)OC 1438403926 WHWWVUKJXHZADM-DLBZAZTESA-N 418.490 1.719 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1445692542 SBKLMVSLCHBYIU-OAHLLOKOSA-N 418.881 1.152 30 10 HDEE COc1ccc([C@]2(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C[C@H](O)C2)cc1 1447782935 MCFDPNOUGSKRKY-VVOJOOEHSA-N 409.490 1.350 30 10 HDEE C=CCC[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1449726633 NFKNUDJIECRVGK-QMMMGPOBSA-N 424.093 1.817 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CSc3ccccc3O2)cc1 1452274237 HITINDPAONMCSQ-OAHLLOKOSA-N 402.497 1.881 30 10 HDEE CC(C)c1ccc(N2CC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)cc1 1456614203 RASWICPZWVUMPB-DJPFJPOOSA-N 415.515 1.560 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1460969485 XNUBYBNZKVAEFK-FMKPAKJESA-N 401.410 1.526 30 10 HDEE N#Cc1c(CCCNC(=O)c2cc3n(n2)CCC[C@H]3O)nn(-c2ccccc2)c1N 1464063328 CWFVMQMOOPNJBK-LJQANCHMSA-N 405.462 1.712 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(F)c1 1464370296 BDJUUCRAHZBJCZ-UHFFFAOYSA-N 412.462 1.331 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)s1 1466799112 PFOHITNDTSEROF-GJZGRUSLSA-N 412.533 1.352 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC=C(C(=O)OC)C1 1470121407 NBRVPRSWLGNCGG-ZBFHGGJFSA-N 419.503 1.662 30 10 HDEE C=C(C)CONC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1470679718 KHZQVHRSBGMBTH-ZDUSSCGKSA-N 415.231 1.981 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)nc1 1470880965 OYRKQGSQVSCVHH-GOSISDBHSA-N 411.487 1.455 30 10 HDEE C[S@](=O)C1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1471133300 SDVQHDMDAKFOTE-OFJJUDJNSA-N 424.567 1.333 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 1471825915 LZIDKFVDWYMNRE-CVEARBPZSA-N 404.536 1.700 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1NC(=O)CC1(C)C 1505056991 OLPQKQFQZIDWRC-JKQORVJESA-N 404.515 1.655 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)CC 1507655747 NYDNSQVRWBQVEU-UHFFFAOYSA-N 404.467 1.504 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H](C)CN1CCOCC1 1507705913 XVWWWRKZDKDWCY-QGZVFWFLSA-N 401.511 1.901 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc2cccnc12 1507713149 YVQNNUQPAHRQTD-GOSISDBHSA-N 404.474 1.912 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2CCCCO2)CC1 1507733337 UYQAZEXVDXDZRC-ZCNNSNEGSA-N 417.554 1.717 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507848628 MATLHIGAZLFRID-OXQOHEQNSA-N 421.498 1.164 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2cnnn2)CC1 1507880287 JORCCZCZXZFIFE-LJQANCHMSA-N 402.503 1.552 30 10 HDEE CCS(=O)(=O)NC1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1516831325 NJJUJEHMVODWCN-UHFFFAOYSA-N 406.512 1.823 30 10 HDEE Cc1c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)nnn1-c1ccn(C)n1 1530326172 DAISBBZBYNQVFT-UHFFFAOYSA-N 404.478 1.575 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539220024 GVKFFFVHMOTWIB-RIFZZMRRSA-N 406.552 1.723 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539230330 LVUKAOOTFIMDTH-WBAXXEDZSA-N 416.551 1.422 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCCCO)CC1 1539436077 IIKONLBWAYHRSA-UHFFFAOYSA-N 413.522 1.880 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1539525173 VQZSSTWVSWXLOP-HXUWFJFHSA-N 411.575 1.951 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539722486 OCQUJFORCWNJPE-CABCVRRESA-N 405.455 1.221 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1540048495 WLSZRSVQXMUJJV-HNNXBMFYSA-N 415.523 1.745 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1540510740 HZOVWIVVTTXBOY-LSDHHAIUSA-N 402.451 1.431 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1540862016 OOMRKXDNLAZXOH-FHWLQOOXSA-N 405.543 1.737 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(CCC)C2)C1 1540882261 FKDGFDHCFYOJIH-QZTJIDSGSA-N 404.559 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H]([C@@H]3CCCO3)C2)nnc1C(C)(C)C 1540909033 VLFXHKSYVWETKR-JKSUJKDBSA-N 412.556 1.561 30 10 HDEE CC(C)[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1541397155 AWRHTJSSADBAIR-GWOGKKTRSA-N 400.483 1.543 30 10 HDEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1543937945 ATRAIWNMZVCYEX-MRXNPFEDSA-N 404.419 1.810 30 10 HDEE CN1C(=O)COc2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cc21 1544267581 GHGXDNMAESAQFY-UHFFFAOYSA-N 403.391 1.730 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H]1C 1547711028 CFPPBIWRAADWJV-KRWDZBQOSA-N 423.521 1.206 30 10 HDEE CO[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)CCOC1 1554713468 DEGJYJNVUPRWBK-OAQYLSRUSA-N 407.478 1.955 30 10 HDEE COCC[C@@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1555416859 AWQIEWTUSIQONK-RTBURBONSA-N 417.445 1.155 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H](CCO)c2ccc(Cl)c(Cl)c2)c(=O)nc1O 1556540715 GSNMVMHPGWWCOO-AWEZNQCLSA-N 411.245 1.757 30 10 HDEE COCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1556894985 CNNARISEZVOZOM-LTWWHTJUSA-N 409.483 1.468 30 10 HDEE C#CC[C@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1556970948 NASYIJQJVMAUQO-ZDUSSCGKSA-N 416.293 1.683 30 10 HDEE C=C(CC)CNC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1557022328 IBAYTWFVELOWTL-CYBMUJFWSA-N 421.441 1.700 30 10 HDEE C=CCOc1cccnc1C(=O)NCc1ccc(CN2CCS(=O)(=O)CC2)cc1 1557124749 HEYWYHSBWYQJBV-UHFFFAOYSA-N 415.515 1.807 30 10 HDEE C#CC[C@]1(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1558345963 KHJWKVHRHPMCLR-MGPUTAFESA-N 402.499 1.774 30 10 HDEE C[C@@H]1CN(c2cccc(CN(C)C[C@@H](O)CC3(C#N)CCOCC3)c2)S(=O)(=O)C1 1559795708 MLSJOMAPNZXNPK-XLIONFOSSA-N 421.563 1.976 30 10 HDEE C=CCn1cc(CNC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)nn1 1560895626 VBJPDMFHBMOORA-UHFFFAOYSA-N 418.523 1.365 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1561718192 KEHWKOMQFOSOAU-LLVKDONJSA-N 416.286 1.592 30 10 HDEE C[C@@]1(CO)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]1(C)CO 1564547180 IBUNAUIHGQEALX-DZFGPLHGSA-N 400.479 1.076 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)c1ccccc1Br 1570316778 AZELDAZBZGJEGI-UPTRSRDDSA-N 408.252 1.515 30 10 HDEE C#CCN1CCCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1586494052 RZEAYTDYWLZRSA-QGZVFWFLSA-N 406.527 1.060 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1587620299 BYGSZJMNSFTFIK-HZPDHXFCSA-N 414.510 1.432 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1587641337 ZCKQXVHYPMAYCB-OAHLLOKOSA-N 413.613 1.703 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCC(N)=O)CC1 1587783736 VZBYGTSPADFSPN-UHFFFAOYSA-N 413.526 1.414 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587857291 YANSLDIIURMABP-SJORKVTESA-N 407.540 1.200 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1587894123 NVYVWPAYBRFRLB-DZFGPLHGSA-N 404.511 1.728 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1588029182 DUXLQQDQJLCCMG-CQSZACIVSA-N 406.512 1.216 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588053120 BFBJXECWOZTFDO-HOTGVXAUSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCn2ccnc2C1 1588090385 WGJPIRJDAWIYSO-CVDCTZTESA-N 422.533 1.851 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)CC2 1588139401 FHPFBDSSWZNFNW-CQSZACIVSA-N 404.268 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CCC1 1588171019 RBZJRHLJCDHXFV-MUUNZHRXSA-N 401.536 1.278 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(O)c1 1589053121 HSPUQWMXXSYASE-HNNXBMFYSA-N 415.519 1.946 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1589070411 SRTBNYRLGGLHFZ-HZPDHXFCSA-N 412.581 1.409 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1589116750 MQQUZDSICYLGNK-UHFFFAOYSA-N 417.583 1.627 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1594627759 XAWYXBMJLQHEMX-IRXDYDNUSA-N 411.572 1.904 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1594775509 UTLJICHQXPEWEB-UWJYYQICSA-N 418.542 1.841 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1595556305 QULVYHGWFZOMQC-VQIMIIECSA-N 412.513 1.983 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1595601968 BSSQWYSLWWFGFM-DLBZAZTESA-N 418.542 1.565 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2C)C1 1595689254 TYJVXENONDFKJB-INIZCTEOSA-N 410.438 1.811 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1596951246 GDZXYKICGKGBAH-MRXNPFEDSA-N 409.494 1.291 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)nn1 1598174341 BLILMCOKEQEXTN-UHFFFAOYSA-N 407.496 1.480 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1606803481 XZQPXWAWPTUPOE-LPHOPBHVSA-N 410.474 1.225 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1608095583 BYSONGFRQOPTPT-GFCCVEGCSA-N 404.345 1.890 30 10 HDEE CC(C)NC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1610259788 VJTGACCABIHRNU-UHFFFAOYSA-N 411.510 1.880 30 10 HDEE N#Cc1ccc(F)c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 1610890448 JDMKYYMNHOUMQU-UHFFFAOYSA-N 405.407 1.676 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)cs1)C(N)=O 1611533507 PRMVGNXVXMLOMF-CQSZACIVSA-N 409.533 1.906 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)C1=O 1618022752 WNXCMILVXHQYPO-JKSUJKDBSA-N 407.511 1.648 30 10 HDEE C#CCNC(=O)CN1CCN(C[C@H](O)COc2cc(Cl)cc(Cl)c2)CC1 1618171021 IMGVQJNTAKOEBS-INIZCTEOSA-N 400.306 1.100 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1nncn1C 1620097934 MQNGHHXQTPNVLQ-RDJZCZTQSA-N 400.487 1.309 30 10 HDEE C=CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(C)(C)C 1620428511 MWWQRMQFUZFQKM-UHFFFAOYSA-N 409.552 1.610 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CCS(=O)(=O)c2ccc(C#N)cc2)CCO1 1620462587 GJUBTMRZKWGXDO-HXUWFJFHSA-N 424.519 1.391 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)cc1 1621609919 UOGLZZGNSQRUAY-QZTJIDSGSA-N 403.548 1.479 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1622417111 PXMOZXJFBLXRCZ-SECBINFHSA-N 403.254 1.097 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(C2CCC2)CC1 1624252897 PNXYMOHYJFNKPB-UHFFFAOYSA-N 404.536 1.638 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1624424204 STNPMLPVEMDWRP-GUDVDZBRSA-N 402.516 1.394 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2ccccn2)s1 1625003322 FFDNKIPIPMJWPE-MRXNPFEDSA-N 409.489 1.180 30 10 HDEE C#CCN(CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1)C(=O)OC(C)(C)C 1627244153 VQBUQWDVJUYAHD-UHFFFAOYSA-N 414.506 1.322 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1 1639123027 RYEORDKYMPZHTG-BBATYDOGSA-N 409.874 1.792 30 10 HDEE C[C@@H](CC(=O)NCc1cc(C2CC2)nn1C)/N=C1/NS(=O)(=O)c2ccccc21 1639195380 BBAGHLZHLJPJCM-LBPRGKRZSA-N 401.492 1.431 30 10 HDEE CC(C)(C)OC(=O)CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 1640473454 DTSWYNFZDVJCSE-UHFFFAOYSA-N 421.519 1.838 30 10 HDEE C=CCN(C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@@H](C)COC 1641334437 ITCYFTSTWXAENO-ZGKFYVQTSA-N 401.507 1.950 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1642946058 BJRHWNMUNFVPLI-UHFFFAOYSA-N 420.491 1.201 30 10 HDEE CNC(=O)[C@H](NC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 1644129386 QGMMCMQCZWQGIA-OAQYLSRUSA-N 406.486 1.757 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1644638006 GARTVOWDCSCUHS-ZIFCJYIRSA-N 419.547 1.312 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 1645300935 HNHAACDFMHGVKM-AEFFLSMTSA-N 421.519 1.868 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1646094729 ARPYFKKXLQSXDB-LJQANCHMSA-N 423.498 1.843 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)cc1 1649196336 WORBZMLTFHJKLU-UHFFFAOYSA-N 409.471 1.892 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(Cl)c(C(F)(F)F)cc2Cl)CC1 1652162214 JRCIMBNLQHXHQK-UHFFFAOYSA-N 417.240 1.997 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1655734021 WEOOAAJTBMZEFM-IFXJQAMLSA-N 414.487 1.606 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CCN(c2cc(CC)ncn2)CC1 1670126080 SZICKBAKAWJTIM-UHFFFAOYSA-N 401.511 1.994 30 10 HDEE C#C[C@@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)c1ccc(Br)cc1 1681910926 BURPAFNFEQABBK-JXQTWKCFSA-N 400.298 1.503 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1 1682167133 SPEVGLMSZXIJFA-KRWDZBQOSA-N 419.530 1.301 30 10 HDEE C=CCc1cc(CNC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc(OC)c1OC 1683367419 ORJIIVMPDSHSEQ-PGRDOPGGSA-N 419.522 1.457 30 10 HDEE C#CCN(C(=O)NCc1cn(C)nc1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1685708435 GCDXXXOHEBCHFP-UHFFFAOYSA-N 405.499 1.973 30 10 HDEE C#CCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941927 XZIALEKKSXAPOE-WIYYLYMNSA-N 403.527 1.253 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689979698 GDTBISGYKHJVFV-IRXDYDNUSA-N 409.600 1.933 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1689998258 GZJUDXVKVRRJHR-UHFFFAOYSA-N 422.464 1.156 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C(C)=O)C1 1690049813 IRCVBEQQUJCYNL-OAQYLSRUSA-N 404.518 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN2CC)CC1 1690146003 CTCZXHODOTWXJM-OALUTQOASA-N 414.554 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690152691 UYOANTJNBCEQEY-AEFFLSMTSA-N 403.527 1.332 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1690219265 ACGZQKBQCVCXNJ-LLVKDONJSA-N 408.322 1.024 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690245291 GOMYXVDVKLJDRQ-FPSMNIFISA-N 424.567 1.369 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1690265143 KVYBJOSJVYOUSD-CABCVRRESA-N 416.569 1.017 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1690319697 VWBFCJCFJHYHCX-UHFFFAOYSA-N 415.519 1.890 30 10 HDEE C=CCCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1690493443 IFZDFAHWMBASST-SFHVURJKSA-N 415.494 1.783 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1690597071 IQRLWRJQSYHOEP-LBPRGKRZSA-N 409.434 1.352 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1690667693 DKTLTCNTFHVSSQ-QFIPXVFZSA-N 422.464 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnn(C)c1 1690724737 VQUZBTVGMLHFON-INIZCTEOSA-N 408.528 1.143 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1692659632 AXLDCMSDZHCZFE-GDBMZVCRSA-N 405.466 1.597 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1692852740 GRPKIAURISTZFS-KRWDZBQOSA-N 421.505 1.433 30 10 HDEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1697223780 HIBSEMNDCQWLSD-UHFFFAOYSA-N 410.478 1.624 30 10 HDEE COc1ccccc1SCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CC1 1697627558 ACZOOYAWLMZKCU-CQSZACIVSA-N 401.492 1.833 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)OC 1698166661 AXAVFCZNYMCWLD-WBVHZDCISA-N 406.531 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(CS(C)(=O)=O)CC1 1705599788 YGMGQKPRKFNSFM-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1705603128 JKYYIFODJFZPOR-HXUWFJFHSA-N 403.486 1.927 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705627694 NOLPELLTXCTQTJ-UHFFFAOYSA-N 419.526 1.925 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)COC)CC1 1705647167 ADUNANGZURJSMG-FUHWJXTLSA-N 403.527 1.420 30 10 HDEE C#CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705665110 KCBLDNKXTQYZHX-FQEVSTJZSA-N 421.567 1.355 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1705847690 CCJOPQHXBGYTAO-MRXNPFEDSA-N 422.555 1.093 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1)C1CC1 1705854304 JYQHRQLADRFJCF-IAGOWNOFSA-N 423.539 1.459 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(C)C)C1 1705907498 ORJHCPCQTGFABD-KRWDZBQOSA-N 401.515 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCCOCC1 1705937425 SVMAYWAOCJLHLN-UHFFFAOYSA-N 404.536 1.891 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1711221459 BVWJXGFHBJJRMN-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)C1 1712875753 HCTDSCBPGKUARZ-GOSISDBHSA-N 422.367 1.497 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722298080 UWDJKORTSQXWIY-GDBMZVCRSA-N 407.565 1.670 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1722353120 RVVQBVFSCHREIB-UZLBHIALSA-N 402.520 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CN(C)C1=O 1722376967 KDOCSQZWSVEBHU-QFIPXVFZSA-N 407.474 1.513 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCC[C@H]1C 1722386965 DAMGSGNSWKUTOU-VGOFRKELSA-N 406.490 1.939 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CCOC 1722468589 NOOJFWLGTOZDRP-RTWAWAEBSA-N 405.543 1.501 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1722536741 QRJMYWPXRYCALQ-HNNXBMFYSA-N 403.458 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722727224 GWYQHNDJKFISSR-CYBMUJFWSA-N 410.462 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC)[C@@H](C)C1 1722728933 ZXYZDCRUVRDPLP-IRXDYDNUSA-N 411.572 1.651 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1727835106 ILKMIXMNSHLUKS-JTSKRJEESA-N 424.505 1.822 30 10 HDEE CCCOc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)cn1 1728220248 HYKFDKUYRHECRX-UHFFFAOYSA-N 417.473 1.985 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1730479687 GQUXRIIGUNXBRL-XJKSGUPXSA-N 409.487 1.671 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCS(=O)(=O)CC1 1730819812 QYJBYMNIKPTUNX-HUUCEWRRSA-N 413.544 1.423 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1740691788 NBUZMCQLZNZHBW-NHCUHLMSSA-N 420.517 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2cnn(C)c2)CC1 1740704524 RPQMBGHMUOVLIM-UHFFFAOYSA-N 421.480 1.832 30 10 HDEE C#CCSCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1740710632 AGTAUJGZQBTQAB-UHFFFAOYSA-N 409.537 1.559 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Br 1740725588 SAJPYZUPSCEENI-SWLSCSKDSA-N 416.345 1.789 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 1740785687 VHMQQMAZPXDJPM-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740885230 BHVWOQCFSUAATN-SFHVURJKSA-N 403.527 1.966 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1740904530 NLTDTCSYMXQUJV-FQEVSTJZSA-N 420.535 1.591 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1C1CCC1 1740986063 RFQHPZXXBUSEBF-INIZCTEOSA-N 409.556 1.786 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1747110857 BBXHDALLDNOYBT-PXNSSMCTSA-N 407.538 1.530 30 10 HDEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748393727 GVFCEPDSNMKOGQ-INIZCTEOSA-N 424.509 1.029 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1748707624 HUVUGDNAYGWCNZ-UHFFFAOYSA-N 418.505 1.897 30 10 HDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCS(=O)(=O)CC1 1748744715 GZXGYLKDPFJKGJ-UHFFFAOYSA-N 410.503 1.779 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1748765565 LPYWGEPIAUQZNI-SCTDSRPQSA-N 403.527 1.911 30 10 HDEE COc1ccc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cn1 1748826405 BDKRSKQMKDQRPC-UHFFFAOYSA-N 419.445 1.117 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1748912451 DHMJVKLEJWVVTJ-NRFANRHFSA-N 405.543 1.237 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1748937774 RFKCONQDKBOEJN-UHFFFAOYSA-N 417.897 1.829 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCOC2)CC1 1748979021 TUYRRIGSWCBUBS-GHTZIAJQSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCc2c[nH]nc2C)CC1 1748993709 JCGHQBYJASYWGG-UHFFFAOYSA-N 404.522 1.683 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749102041 ITDCFIJTSDKYKK-OLZOCXBDSA-N 411.304 1.295 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1749143926 ORRYTNBOHRHMFM-HNNXBMFYSA-N 416.617 1.340 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760117605 RAVOHQSCGZMZPW-RDJZCZTQSA-N 417.535 1.539 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H]1CC 1760517990 DRCLMDXHZJITPD-YJBOKZPZSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760527103 YXLKUPZKLZPXEP-INIZCTEOSA-N 412.494 1.135 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](COC)OC)C1 1760545332 RWWJKUGBWRRCFJ-GJZGRUSLSA-N 419.482 1.449 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](COC)C1 1760556297 ZBWOSBMTLRORLE-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCS(=O)(=O)C1 1761076677 FZGMNHIGEMKSBG-MRXNPFEDSA-N 417.539 1.936 30 10 HDEE Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762575408 VMDMLGBILPLQBT-VHEBQXMUSA-N 414.416 1.954 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1767749269 KRPJNTAKYCUBOT-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1770885605 RWSWDDNCGRWJIN-YJBOKZPZSA-N 416.482 1.925 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCN(C)C1=O 1848754351 WJNBMSOFZKRERO-QGZVFWFLSA-N 407.536 1.444 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)CC2)c1 1849199646 KZEZNRXSEZUNDJ-UHFFFAOYSA-N 424.482 1.442 30 10 HDEE CSc1cccc2sc(N(C)CC(=O)NCC#CCN3CCOCC3)nc12 1850340997 KNFFGMBBVLNKLH-UHFFFAOYSA-N 404.561 1.906 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 1850796543 YQFFXZJWOLITPK-LBPRGKRZSA-N 419.409 1.579 30 10 HDEE C=CCN(C(=O)CSc1nnc(-c2ccccc2F)n1C)[C@@H]1CCN(C)C1=O 1852268198 ZLDYFHSIIHXOER-OAHLLOKOSA-N 403.483 1.959 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nc(-c3cnccn3)no2)cc1 1852595990 QZTVIVPBNIHIIK-GOSISDBHSA-N 422.445 1.695 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1Cl 1853109017 DWRGNTMMSMLLLY-AWEZNQCLSA-N 416.956 1.972 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3CCCN3c3ccccn3)CC2)nc1 1853113228 YUSNCHXCEKUCJI-LJQANCHMSA-N 406.490 1.682 30 10 HDEE COc1ccc(S(=O)(=O)N(CC(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)cc1 1853403186 VKNOTLNNEIPKLJ-SFHVURJKSA-N 415.471 1.641 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1=O 1853829700 YECQHMXUFXRDQS-ROUUACIJSA-N 402.495 1.460 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(OC)ccn2)C1=O)[C@@H]1CCN(C)C1=O 1854301354 HQIGWIHFEPGLNV-ZWKOTPCHSA-N 400.479 1.330 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)CCn4cncn4)C3=O)CC2)cc1 1855462187 DLTHIYDTIQZDMG-IBGZPJMESA-N 408.462 1.211 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCCC[C@@H](N4CCC(C#N)CC4)C3=O)n2)cc1 1855598015 OIPJAUHCLPFNTH-GOSISDBHSA-N 407.478 1.728 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN4C(=O)CC[C@]43C)ccc21 1855877494 LCMCXIXOLQWYIQ-HXUWFJFHSA-N 417.487 1.411 30 10 HDEE CCS(=O)(=O)C1CN([C@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856136540 DQWCHDDGEBXTJS-KRWDZBQOSA-N 423.922 1.656 30 10 HDEE Cc1csc(CN2CCN([C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)n1 1856624193 MSOGRPICFVONDQ-GOSISDBHSA-N 409.515 1.882 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cccc(C#N)c3)C(=O)O2)CC1 1856653281 QXRXFRHNERMKFG-KRWDZBQOSA-N 405.476 1.971 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 1856664315 LPLGCIQRWCPDSC-MAUKXSAKSA-N 418.519 1.230 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2snnc2CCC)C1)[C@@H]1CCN(C)C1=O 1857276486 BVNZJAOHUQETAO-UKRRQHHQSA-N 405.524 1.198 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N(C)c2ccccc2C#N)cc1OC 1858018765 JAVJGWYILIJOSA-UHFFFAOYSA-N 403.460 1.907 30 10 HDEE CN(C(=O)CCNC(=O)C1CCN(C(=O)C(F)(F)F)CC1)c1ccccc1C#N 1858019025 YDHPLVISPALILT-UHFFFAOYSA-N 410.396 1.828 30 10 HDEE CCS(=O)(=O)N1CCOc2cc(NS(=O)(=O)c3ccccc3C#N)ccc21 1858480641 ATXSAVVTSDJRHT-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE CNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2C#N)cc1 1859001004 YDGSNHGTDKPSTQ-UHFFFAOYSA-N 417.516 1.705 30 10 HDEE C#CCOc1cn(CCO)c(CN2CCN(c3cccc(Cl)c3)CC2)cc1=O 1870561397 LNAQBHYRYGHDHJ-UHFFFAOYSA-N 401.894 1.828 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)Nc1ccccc1C#N 1873868550 HZBOVBWLGZIUKL-ZFWWWQNUSA-N 420.425 1.783 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1/N=C/c1cccn1C 1874430897 CQOGPVWLBHNLMT-SRZZPIQSSA-N 411.491 1.866 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(=O)n3ccccc3nc21 1875238907 JAQAYCKOSBGQAG-UHFFFAOYSA-N 409.446 1.750 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn(C(C)C)c3)CC2)CC1 1889274514 BWDURJUJIJZZIG-UHFFFAOYSA-N 401.555 1.726 30 10 HDEE CN(C[C@H](O)COCc1ccccc1)c1ncc(Br)cc1C(N)=NO 1916365620 ZMMUWSYOQARVFC-AWEZNQCLSA-N 409.284 1.953 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1976393553 ZLPLRIPLRUANMC-SNVBAGLBSA-N 415.306 1.573 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 1985007914 RXPQDVAUMLAXLN-XXBNENTESA-N 415.534 1.998 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010400001 UUCQDNCYLNQVNK-CQSZACIVSA-N 423.319 1.545 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(C#CCN)cs1 2057536390 QDXNAHFVSXRVOH-ZDUSSCGKSA-N 417.512 1.335 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@@](C#N)(C2CC2)C1 2108227322 GEURNNAOUSNDQJ-PMACEKPBSA-N 419.478 1.966 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 2151774744 AMZOIAUVHWTODE-LBPRGKRZSA-N 401.416 1.344 30 10 HDEE C#CCN(C(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180105243 ZLXUVKHUZQFSBT-CHWSQXEVSA-N 406.451 1.280 30 10 HDEE C#CCN(CC(C)C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197738846 HAHNWEWBQSNWKY-OAHLLOKOSA-N 400.541 1.917 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2243405820 NMTUKKGHEKDUSW-UHFFFAOYSA-N 408.260 1.860 30 10 HDEE Cc1[nH][nH]c(=NC(=O)OC(C)(C)C)c1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243678890 PJFYMKANIMBSNC-UHFFFAOYSA-N 404.276 1.852 30 10 HDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247811353 AAOVPYOUVQBWDZ-INIZCTEOSA-N 415.299 1.359 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820750 RQWVQHMDISDJEV-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247923208 UWSZLGYCFZAWHW-CMDGGOBGSA-N 418.303 1.587 30 10 HDEE Cc1cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2247928896 HNBNIKUTJFZVLR-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=S3(=O)CCOCC3)s2)OC1(C)C 2267373906 JSDSBLOQMCFOCX-UHFFFAOYSA-N 407.344 1.234 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CNCCOC3)c2Cl)OC1(C)C 2281945289 GSJKBACMTQEFBM-NSHDSACASA-N 400.737 1.667 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281968925 GXSMIKCNEIZYGA-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282311167 DTPFVAFDUMXLHB-RYUDHWBXSA-N 418.415 1.337 30 10 HDEE COCCN(C1COC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333194 LLGAXADPYXFYCX-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE CC1(C)[C@H](CN)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334219 YUDGQQXTDKHGIG-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE C[C@@H](CN1CCCC1)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491065 JYPDFEUEWYAEJC-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@]2(C)CO)OC1(C)C 2282500649 MCOMCWBHKRVTMU-KRWDZBQOSA-N 401.359 1.724 30 10 HDEE CNS(=O)(=O)CCN(C)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282636134 IUEHYIMLMMIMSF-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848354 MPVQETGSWMDZFQ-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)[C@H]3CCNC3)s2)OC1(C)C 2282851448 BWVVZSBMBZZGSH-JPQMIFPKSA-N 420.387 1.196 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1 2288590868 PQZOLRSODVMYIA-LSDHHAIUSA-N 401.529 1.822 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2O)cc1 2329265063 UYZDKUWHIYAIEN-UHFFFAOYSA-N 413.459 1.748 30 10 HDEE COC[C@H](C)N=C(NN)N(C)Cc1c(Br)c(Br)nn1C 2364340145 HQJZSYFFZIQJBX-ZETCQYMHSA-N 412.130 1.231 30 10 HDEE COCC[C@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 2365175601 IQOGOMYNRTZRNJ-KXBFYZLASA-N 403.541 1.980 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2365200899 CJBNGGVCTMTNTO-SPYBWZPUSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 2365210781 LLEKOEOAEIMRCM-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2367791672 ZANTVAYSSNFZQR-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367800499 KCYWQUDJSNRFOH-GJZGRUSLSA-N 401.525 1.733 30 10 HDEE CC[C@@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367829416 ZITXJVFMNOVJMW-HNAYVOBHSA-N 400.541 1.292 30 10 HDEE Cc1nnc(=O)[nH]c1N/N=C/c1cc(Br)c(O)c(Br)c1O 3947136 CDXIMZOIOPWQEF-LZWSPWQCSA-N 419.033 1.856 30 10 HDEE Cc1cc(C)nc(N/C(=N/C(=S)NCc2ccco2)N2CCC(C(N)=O)CC2)n1 14161105 HXZVSMFVGRVSFE-UHFFFAOYSA-N 415.523 1.726 30 10 HDEE Cn1nc(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c2ccccc2c1=O 22981064 ASNILFJAAADWCV-UHFFFAOYSA-N 401.470 1.692 30 10 HDEE N#Cc1c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)sc2c1CCCCC2 434788129 XUXHGJSKCKUJSD-IBGZPJMESA-N 401.492 1.501 30 10 HDEE COc1ccnc(N2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)n1 435127062 UJKXJBSUJZLEON-UHFFFAOYSA-N 404.478 1.980 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446336681 KFESDIGUYRBVJX-GYWCDFCBSA-N 407.470 1.885 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC 447136623 CTDPPKQNWQKGDN-VQIMIIECSA-N 423.535 1.551 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cnn(-c4ccccc4)c3)CC2)c1C#N 471836833 SRBZDDGRHZYJJT-UHFFFAOYSA-N 404.478 1.818 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3scnc3C3CC3)C2=O)cc1 488635033 DMIPAFZYUQIYFA-HNNXBMFYSA-N 409.471 1.748 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)cc1C#N 489111165 ZGJAZTWTIJRHBD-UHFFFAOYSA-N 402.451 1.476 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@H](C#N)c3ccc(Br)cc3)cnc21 499410464 ASGKMUKBEXDIKN-CYBMUJFWSA-N 401.224 1.274 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503630167 RRWPVCOJAPLLCD-SFHVURJKSA-N 420.535 1.273 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCC(C)(C#N)CC2)CC1 506040369 AOZWZJBIPDZTHZ-UHFFFAOYSA-N 411.550 1.957 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 510944735 GGWMZSBJVSMHOH-CGZBRXJRSA-N 400.483 1.746 30 10 HDEE C[C@H](NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1F 512671830 HIPILQXVBCMTKD-INIZCTEOSA-N 417.510 1.895 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 520051193 CCMUKPVMXRLWLX-GASCZTMLSA-N 406.508 1.563 30 10 HDEE C=CCOc1ccccc1CNC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 521133131 LVWYXSUOERFXOM-UHFFFAOYSA-N 408.451 1.905 30 10 HDEE CCN1CC[C@H](N(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 525029443 SLQRBIHTKMQMFG-MNEFBYGVSA-N 411.506 1.952 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1C#N 535505491 DAJGLSZCCSTZGX-ZDUSSCGKSA-N 418.523 1.426 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3cc(-c4ccccc4)on3)CC2)n1 544863444 HCWWFERSSSTPQK-UHFFFAOYSA-N 416.441 1.687 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2cnccn2)CC1 549704956 ASOMGTGFDRQGRV-OAHLLOKOSA-N 418.523 1.594 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(C4CCOCC4)CC3)n2)cc1 554574020 ISXUOGJPCDUPIA-UHFFFAOYSA-N 422.489 1.802 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 555268108 GESJVDHCUYQBQT-ROUUACIJSA-N 402.543 1.637 30 10 HDEE COC(=O)[C@H]([C@@H](C)O)N(CCS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 562049608 MYAPWMDWSRCDOJ-UZLBHIALSA-N 416.499 1.757 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 572017980 ITOBOTUOWMBSBL-HZSPNIEDSA-N 401.558 1.127 30 10 HDEE C[C@H]1CN(C[C@H]2CCCN2C(=O)C(=O)NCc2ccc(C#N)cc2F)C[C@@H](C)O1 586861913 CVZFBBJHHDXLLF-RVKKMQEKSA-N 402.470 1.414 30 10 HDEE CN1CCN(C(=O)Cc2cccc(NS(=O)(=O)c3cccc(CC#N)c3)c2)CC1 589585939 XDALVOQHGUGSEO-UHFFFAOYSA-N 412.515 1.870 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 610808917 CHURGXRIVYIZSS-BLLLJJGKSA-N 403.464 1.670 30 10 HDEE N#Cc1ccc(N2CCC(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)nc1 611033519 WPBNHIAXNZEUJP-UHFFFAOYSA-N 401.448 1.950 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](NC(C)=O)C1 670204438 PPTCMUFJMCWROW-HNNXBMFYSA-N 402.524 1.951 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2C(=O)CC(C)C)CC1 727863859 YYWUKQJCWRKADV-OAQYLSRUSA-N 409.530 1.974 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(N3CCCC3=O)ccc2Cl)CCN1C1CC1 732707250 XUZRXYMJALPXII-HNNXBMFYSA-N 415.881 1.604 30 10 HDEE C[S@@](=O)Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl 734693490 NIFPVBDVGVOGJB-YVORESIASA-N 408.911 1.356 30 10 HDEE CC(C)Cn1ccnc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 741707731 DWVGLZHWAOCGIM-UHFFFAOYSA-N 403.508 1.674 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)cc1C#N 748090361 LWMVWLIKQIWFKA-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)NC1CCN(c2ccccc2C#N)CC1 750045184 GNJPGBBNIFXRSF-UHFFFAOYSA-N 404.517 1.974 30 10 HDEE N#Cc1cccc(N2CCN(Cn3nc(-c4ccc([N+](=O)[O-])cc4)oc3=O)CC2)n1 760551873 LYTFLNOPTYNPDN-UHFFFAOYSA-N 407.390 1.458 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)O)cc1 766899349 WSEKCDJVRWENEI-MRXNPFEDSA-N 414.483 1.961 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)c1 766986648 VJQVPIODMCOIKC-UHFFFAOYSA-N 408.457 1.479 30 10 HDEE Cn1cc(C#N)cc1-c1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)no1 771087220 ZHOUTPCIISVVIZ-UHFFFAOYSA-N 421.417 1.746 30 10 HDEE COc1cc(CNC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc(OC)c1OC 780204394 GRNARMBWVFEZJK-IBGZPJMESA-N 414.414 1.477 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(Cc3ccccn3)CC2)cc1C#N 787142728 CMIBXCBQUAWRJT-UHFFFAOYSA-N 407.474 1.359 30 10 HDEE CO[C@@H]1CCCC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 794452392 WBADJOUTPFKNKN-CQSZACIVSA-N 412.468 1.973 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O 800125155 CUGQXQZEBMENPK-KRWDZBQOSA-N 408.524 1.414 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)NCCc3ccncc3)cc2C1=O 805977524 RMVAVYCZBJANAB-CQSZACIVSA-N 407.426 1.768 30 10 HDEE N#CCOc1cccc(CC(=O)NS(=O)(=O)c2cncc(Br)c2)c1 810553978 KOHRNFMBHAZMTO-UHFFFAOYSA-N 410.249 1.794 30 10 HDEE COc1cccc(C(=O)COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 811125521 YMHVCCHQRBBXTA-MRXNPFEDSA-N 422.397 1.593 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccnc1C#N 813162887 IRYXQICRXGJOEO-UHFFFAOYSA-N 417.443 1.340 30 10 HDEE C=C1C(=O)[C@@]23C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](CO)C(C)(C)CC[C@H]1OC(C)=O 1078018469 PFPNLISKAPWUFU-ZYKAUFGLSA-N 406.475 1.402 30 10 HDEE CCOCCN/C(S)=C(/C(=O)c1cc(C(=O)OC)co1)[n+]1cc(O)ccc1C 1115997098 XSFAYEWEMDRUTA-UHFFFAOYSA-O 407.468 1.933 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)nn1 1124499452 BZNLFVGPEUTCOJ-UHFFFAOYSA-N 404.496 1.043 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1126549205 BRCKGAHQINQZLW-UHFFFAOYSA-N 400.398 1.741 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)C1=O 1131199881 YTYMAHCETZCAJL-CYBMUJFWSA-N 420.466 1.012 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(Cl)cc1)N(C)C)c1cc[nH]n1 1137123399 MFMSUYQLMGWJOC-INIZCTEOSA-N 421.885 1.766 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139810962 ASPPMZXZKFGLTH-GOSISDBHSA-N 407.474 1.717 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](CO)Cc3cccnc3)C2=O)cc1 1140069628 BGHAQRGMBVKHRR-PKOBYXMFSA-N 421.457 1.126 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)nc3F)CC2)cc1 1141411906 QTMLRZROHURYDP-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1OC 1142022142 VVKRITKQHMATIT-VQHVLOKHSA-N 423.535 1.660 30 10 HDEE Cc1sc(=O)n(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1-c1ccccc1 1144429109 MHMWHBYXADVBSU-HTXNQAPBSA-N 412.471 1.528 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](OC)[C@@H]1CCOC1 1146951989 WIIKPJQETCCHEM-PVAVHDDUSA-N 423.535 1.452 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3noc(C)n3)CC2)c1 1156304412 WCAWZSKULIPRRA-UHFFFAOYSA-N 404.492 1.937 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 1157759539 BBJBSPYZFDNDEW-JKSUJKDBSA-N 419.478 1.274 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O 1158928647 FFCBRVBGJGRHMS-USXIJHARSA-N 405.520 1.657 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC2(CCC(N(C)C)CC2)CC1)c1cc[nH]n1 1159533115 AUBUUFBJNCYJKM-UHFFFAOYSA-N 419.526 1.807 30 10 HDEE COCCN(CC#N)C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1160823834 VRTYPIWBUNGWDH-UHFFFAOYSA-N 419.507 1.068 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1[nH]c2ccccc2c1C#N)C1CCCC1 1161445714 BKCIBFLCQUHILI-QGZVFWFLSA-N 403.508 1.724 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1S(=O)(=O)CCN(C)C 1165507569 FHSYJSXOAMIEKS-UHFFFAOYSA-N 408.520 1.439 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Cc2ccccc2Cl)c1=O 1166615429 VODMVDDDAIBLAJ-UHFFFAOYSA-N 417.849 1.689 30 10 HDEE C#CCN(CC(=O)N(c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1)C1CSC1 1171875059 AYNWQYSBQKRDPX-GOSISDBHSA-N 404.557 1.998 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CCO2)cc1 1179404356 CUWMBSCXGPFBGN-IBGZPJMESA-N 404.426 1.824 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c(Cl)c1 1194154975 FGAZRNDHUPVIFY-UHFFFAOYSA-N 410.927 1.706 30 10 HDEE C#CCN(C(=O)NCCNS(=O)(=O)c1cc(C)sc1C)C1CCN(C)CC1 1224442165 QZUFWBCCXMEKRK-UHFFFAOYSA-N 412.581 1.382 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1227630433 BJRGDHPSFPQGEF-UTKZUKDTSA-N 414.462 1.023 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1286311881 NLKPIUTZKACXGS-DYESRHJHSA-N 401.511 1.702 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1286388707 AUFOVGBUQFSPIT-IBGZPJMESA-N 414.531 1.977 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286630568 YOONXSNWLAOPFI-AWEZNQCLSA-N 403.936 1.396 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286780379 FBDNIJPTIQPBSG-INIZCTEOSA-N 418.542 1.169 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286835986 DPWDVYOLDIBNMN-CUSZFKRNSA-N 421.567 1.636 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCS(C)(=O)=O)c1 1289331389 AXIGZUDCVBXWFK-IBGZPJMESA-N 421.498 1.961 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1290861338 RSDDBEHUZWOULS-GJZGRUSLSA-N 401.529 1.081 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1293532859 CRFHLFIOTWOZFJ-ICSRJNTNSA-N 410.445 1.658 30 10 HDEE C=CC[C@@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1296237010 SSRWTXQKHXPDGE-YJYMSZOUSA-N 400.447 1.586 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300485360 VCYZDOUQKRKOMV-CVEARBPZSA-N 423.583 1.507 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCOCC1 1300665269 KEKSNKZJPQHXJM-UHFFFAOYSA-N 414.462 1.301 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCO)CC1 1300727417 XCXDQGIFMPLUMR-SFHVURJKSA-N 403.527 1.301 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300848392 FLTMJJQQFKEBFX-VXGBXAGGSA-N 407.334 1.560 30 10 HDEE COC[C@@H](F)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301066419 GCVVAHMFPVLLHB-INIZCTEOSA-N 423.452 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCOCC)CC1 1301491139 FAIYTBUOTMFEOI-UHFFFAOYSA-N 412.538 1.714 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301951491 AEJNGRCLTKAXIN-GQIGUUNPSA-N 404.515 1.740 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)(F)F 1303012316 CZQDVQOBYULTHS-CYBMUJFWSA-N 400.405 1.938 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1303900669 VVODXJULVWAFOD-QGZVFWFLSA-N 405.524 1.418 30 10 HDEE Cc1nccc(N[C@@H]2COCC[C@@H]2NC(=O)CCc2c(C)nc(O)c(C#N)c2C)n1 1305693613 PTTUBMUPOBKOBQ-ZWKOTPCHSA-N 410.478 1.693 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1308031339 FBMYBLUQIYQKEB-DEOSSOPVSA-N 418.497 1.678 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H]1CN(C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 1313424674 GXBOOSRFCARGQO-IEBWSBKVSA-N 421.586 1.665 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C1 1314000683 AWDYKIDRUCKHRO-QGZVFWFLSA-N 400.508 1.745 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)CN1CCCC1 1316296892 DCHZBGRAKXMRMU-XWSJACJDSA-N 418.542 1.463 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)c1 1354286028 NDXOATXFUFXNIX-VXNZKSKFSA-N 413.521 1.405 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)NCCN1CCOCC1 1356424187 IBIZQAQKTCFTDS-DNVCBOLYSA-N 402.495 1.160 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc1C#N 1357267507 HBUMXWGMVQAVNJ-AEFFLSMTSA-N 402.451 1.945 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1358932312 GUZMNIBDJHDFIU-SFHVURJKSA-N 421.567 1.275 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1358948440 CLXFOFWXUSZGKB-INIZCTEOSA-N 414.531 1.990 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358960324 BTXVSFQERKQCEQ-BBWFWOEESA-N 414.535 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1358997185 IEQDOFPTQKZDQC-UHFFFAOYSA-N 419.551 1.077 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359162803 FIWWZLHGONVBSV-FQEVSTJZSA-N 413.503 1.523 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC=CCC1 1359334974 WDLYUAYMQIXWFY-UHFFFAOYSA-N 421.548 1.637 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359345950 VXXXTNLTMAFUBE-MRXNPFEDSA-N 419.555 1.010 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)O1 1439578042 HLMAPFJUHNZBOK-QXAKKESOSA-N 418.494 1.493 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)ncc1C#N 1443567149 IPRJAGZMPYZAQO-MRXNPFEDSA-N 402.451 1.984 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCN1CCOCC1 1446388675 HBJXZNOJFVWFRZ-HNNXBMFYSA-N 405.923 1.175 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@]4(CCOC4)C3)C2)C1 1448097855 QFUVYOOBHLSJPI-WKQASXCGSA-N 405.495 1.791 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(C)(N3CCOCC3)CC2)cc1 1454604368 ONCVFODGPXANSN-UHFFFAOYSA-N 407.536 1.478 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC[C@H]3CCCS3(=O)=O)ccc2c1=O 1457991783 NCEZMLOTGABZQS-CYBMUJFWSA-N 407.517 1.568 30 10 HDEE Cn1c(=O)c2nc(Br)n(Cc3cc(Cl)cc(C#N)c3)c2n(C)c1=O 1458833130 FPLSSGVLVQJODX-UHFFFAOYSA-N 408.643 1.770 30 10 HDEE N#Cc1nc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)ccc1Br 1461102697 CFYWQVLNXIUTAB-UHFFFAOYSA-N 408.237 1.152 30 10 HDEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1462164669 QKTBKWPFOHJCNQ-CQSZACIVSA-N 418.309 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)CC2(C#N)CCCCC2)C1 1464636278 CPQVDWVBNKBJAP-GOSISDBHSA-N 401.529 1.752 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-n2c(O)nnc2O)cc1 1467851264 UYYKHPYILKNDMW-CQSZACIVSA-N 401.423 1.924 30 10 HDEE C=CCC1(O)CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 1468772189 VGWWDHROKYVZPR-UHFFFAOYSA-N 413.462 1.661 30 10 HDEE Cc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 1469366911 GTSNJLAXTJMQFA-GFCCVEGCSA-N 400.460 1.550 30 10 HDEE CCc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1499085403 HERGNSNKPOBKLB-FWSWYPJWSA-N 400.483 1.515 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1501967713 IXNQNQWYOLGQRJ-KRWDZBQOSA-N 417.558 1.718 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1505120400 CYQATQJTNNNMTH-GOSISDBHSA-N 418.498 1.673 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCOCC(F)F)c1 1505316186 AHGNMOFOOBITRE-KRWDZBQOSA-N 418.448 1.619 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCC2)CCO1 1505322928 CHGZFNMNWZLUQP-SFHVURJKSA-N 415.542 1.395 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CCCO 1507517306 GNUFMLOCIASHDW-NNMXDRDESA-N 419.570 1.623 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1occc1C 1507655932 AGORUXSRSLDHPZ-UHFFFAOYSA-N 422.489 1.195 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507709928 FMYVCSAMRKATSR-HDICACEKSA-N 415.542 1.264 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cc(C)nn2C)CC1 1507736735 QSSPRUHCHHRAHX-UHFFFAOYSA-N 406.494 1.329 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1CSC 1508142311 SDPJWAJKZAPGEI-KGLIPLIRSA-N 413.569 1.162 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1508402809 VVAYXFRIBVOXOX-IBGZPJMESA-N 423.521 1.506 30 10 HDEE CCC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514267363 MDIZBQWLTOVVSX-MDKPJZGXSA-N 402.543 1.900 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1519191211 FPHDZIBOPBTILK-CBGDNZLLSA-N 416.526 1.407 30 10 HDEE CS(=O)(=O)C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1526907801 AVELRRNUODNJCB-GXTWGEPZSA-N 409.895 1.458 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CCC2=O)cn1 1530809138 XVLMBMUBXZQDJL-LJQANCHMSA-N 420.517 1.816 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(CC#N)c2ccccn2)C1=O 1530819457 AFDRQPNYMVCTPY-OAQYLSRUSA-N 407.430 1.722 30 10 HDEE CC(C)(C)n1ncc(C(=O)NCCn2cnc(C#N)n2)c1I 1531966611 TXGHEURSDVGWLY-UHFFFAOYSA-N 413.223 1.136 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)[C@H]1c1cccnc1 1538863235 YVLOWNONDSFYNI-TYPHKJRUSA-N 406.442 1.452 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cnnn1 1538965120 MUWWSYXONKEZPW-MRXNPFEDSA-N 407.482 1.682 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539132809 RFMYBEKQQMEOEW-UHFFFAOYSA-N 421.509 1.140 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1540121231 ISOZMERUFBPQSQ-KRWDZBQOSA-N 417.477 1.470 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1540859040 APKPSQRILCUBIT-UHFFFAOYSA-N 404.478 1.270 30 10 HDEE C[C@H](COCc1ccccc1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1541887214 FKDVSGULTRLECX-YTQUADARSA-N 424.505 1.811 30 10 HDEE N#CC1(NC(=O)[C@@H](CC(N)=O)NC(=O)OCC2c3ccccc3-c3ccccc32)CC1 1543512982 NNQAHBHDRVEFIG-LJQANCHMSA-N 418.453 1.941 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C[C@@H]1N1CCOCC1 1544715865 UWWONPIGLUAHSM-LPHOPBHVSA-N 410.522 1.745 30 10 HDEE C[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)NC(N)=O 1544855394 QPBGOYAUEFKJLJ-GTMGWDBPSA-N 409.512 1.665 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1547738605 DUXYQIIRSIQXEM-UHFFFAOYSA-N 424.509 1.828 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C1 1554422039 IAAOMZVPQFUCCL-MRXNPFEDSA-N 422.518 1.987 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCOCC1 1555742846 JHVRKSYBOWJHGC-ROUUACIJSA-N 419.526 1.674 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1555802615 MSRWEEKKOUJWOY-MAUKXSAKSA-N 413.519 1.829 30 10 HDEE CN(C)CC#CCNC(=O)c1cnn(-c2ccccc2)c1I 1557899574 SBXDCYPMFRTDTK-UHFFFAOYSA-N 408.243 1.772 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1558697712 DNJYXFFWXSQAJG-CHWSQXEVSA-N 411.890 1.913 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1563416960 PGZPWFWTTZAKLF-OTWHNJEPSA-N 419.522 1.967 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)nc1=N 1567946672 UCYSKNLTNOJTAH-LBPRGKRZSA-N 405.256 1.604 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1570082958 KFCDLRXNGQXWAH-UHFFFAOYSA-N 407.448 1.578 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1570227689 OQNDCQSDQZQOJM-LBPRGKRZSA-N 406.382 1.114 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCS(=O)(=O)C2CC2)CC1 1583894381 BYCDFUNVDQAWPW-UHFFFAOYSA-N 418.475 1.716 30 10 HDEE C#CCC1(NC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CCCCC1 1585161668 NEHOCGCXQNNODL-UHFFFAOYSA-N 407.536 1.721 30 10 HDEE CN(CC(=O)N1CC(Nc2cccc(C#N)c2)C1)C1=NS(=O)(=O)c2ccccc21 1586074328 PZTKUKCERTXGNH-UHFFFAOYSA-N 409.471 1.262 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(C(=O)OCC)CCCOC2)cc1 1586248360 KXXJORSPTQPTLH-IBGZPJMESA-N 410.492 1.241 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1c2ccccc2C[C@H]1C 1587989403 JBRHCGHMDQORLV-SJLPKXTDSA-N 413.547 1.701 30 10 HDEE C#CCN(c1nnc(C)n1CC[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588035910 ZKIOVMGQVHRJER-QUCCMNQESA-N 402.520 1.511 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1588053908 IUEMSAJYWYJDSR-OXQOHEQNSA-N 418.519 1.673 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnc2n1CCC2 1588113689 QFQGSGDZEGLGBT-UHFFFAOYSA-N 417.473 1.621 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CC=CCC2)CC1 1588733489 VETQLJYLSFVWLO-UHFFFAOYSA-N 413.570 1.214 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Cc2cccs2)CC1 1588805711 AKTHVZOYZYXPDS-SJLPKXTDSA-N 412.563 1.925 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1588812189 QOGUIZIFEBGLAA-UXHICEINSA-N 400.571 1.658 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1595506828 NRPXBIQHRPEEMX-IBGZPJMESA-N 420.876 1.742 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1595529637 BQGNUINSVYFFTL-OAQYLSRUSA-N 423.452 1.274 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@@H](C)[C@@H]1C 1595537163 MSHNEFBIGYSZEA-STQMWFEESA-N 418.523 1.638 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1595602480 LDJPMSGCFQMNTQ-CKEIUWERSA-N 406.531 1.199 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(C)c2C)C1 1595754213 MHWCQZJPGCYMNX-UHOSZYNNSA-N 416.526 1.874 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C[C@@H]3CCCO3)C(=O)OCC)cc2C1=O 1611571258 PVFTZJBSJRKOSH-WMLDXEAASA-N 400.431 1.699 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNS(=O)(=O)c1ccc(OCC)cc1 1611572798 GVBBGKFDVANVNY-UHFFFAOYSA-N 410.492 1.167 30 10 HDEE COCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619821728 HQVBPWGQIDSPEE-GOSISDBHSA-N 411.510 1.802 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](CNS(C)(=O)=O)C3)c2C#N)C1 1620561553 ACSDCOCKEWGAGZ-ZIAGYGMSSA-N 424.592 1.944 30 10 HDEE Cc1nc(C2CCN(C(=O)OC(C)(C)C)CC2)sc1C(=O)NCC(=O)NCC#N 1623553811 OWNRGCOCIWXZIW-UHFFFAOYSA-N 421.523 1.936 30 10 HDEE Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1623967885 HHAVGQCJNFOYMJ-UHFFFAOYSA-N 400.416 1.643 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(CS(C)(=O)=O)CC1 1624867480 KRMXZJVQYMHWQT-HNNXBMFYSA-N 401.529 1.857 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H]3CCCCN(C)C3=O)c(C#N)c2N)cc1 1629236144 KGCJWPDIRBIACV-KRWDZBQOSA-N 408.506 1.942 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2c[nH]c(C)c(OC)c2=O)ccc1F 1630911431 DRYSNQMSDMIESL-UHFFFAOYSA-N 423.466 1.568 30 10 HDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H](C)C(=O)OC(C)(C)C 1632795346 ZJLOJFANTIHWSL-CQSZACIVSA-N 409.508 1.989 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1632877790 YFSBNXBEYDCMNI-QRTUWBSPSA-N 405.451 1.206 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CCN2CSCCSC2)C1 1638203586 RYYSWJMJOSCYSG-KBPBESRZSA-N 400.570 1.949 30 10 HDEE C#CCN1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1638679265 ZTWISCKTNYPXAX-KRWDZBQOSA-N 402.882 1.759 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1 1638983728 RBBNWPMQAYNVRF-FUHWJXTLSA-N 420.535 1.598 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4cc(Cl)nnc4C3)C2=O)cc1 1639963639 PEKIDTNDTVQMTD-OAHLLOKOSA-N 424.848 1.792 30 10 HDEE N#CCn1c(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc2ccccc21 1639970240 DGFONZNWLSLLGH-RDYUPDBUSA-N 414.487 1.106 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1641354327 XENTVEVSDIWJQK-GOEBONIOSA-N 413.565 1.914 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1642759858 QFDRDNOWGYTFEV-INIZCTEOSA-N 413.474 1.512 30 10 HDEE C=CCn1c(SCC2CN(S(C)(=O)=O)C2)nnc1[C@H]1COc2ccccc2O1 1643490627 DGNOUZMDRLVYIM-MRXNPFEDSA-N 422.532 1.960 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)C1=O 1647405139 QYLLOLLYUGAVOL-MELADBBJSA-N 419.444 1.627 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)CN(CCC#N)CCN1CCOCC1 1653500707 FLCVNGWWLBDANA-UHFFFAOYSA-N 408.524 1.720 30 10 HDEE CNC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1653950508 VNJNLXXOGPDJDF-HOTGVXAUSA-N 413.522 1.424 30 10 HDEE Cn1c(=O)c2cc(C(=O)N(O)Cc3cc(Cl)cc(Cl)c3)cnc2n(C)c1=O 1654803611 OGUSOXRPDWHFGJ-UHFFFAOYSA-N 409.229 1.971 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@H](C)S1(=O)=O 1655529896 GCVFLDYHCDVLKX-UWVGGRQHSA-N 407.311 1.517 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655669920 NRDUSBBUWXDTPI-LPHOPBHVSA-N 422.526 1.044 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCc2c(sc(N)c2C#N)C1)[C@H]1CCS(=O)(=O)C1 1655797234 PJQGFYZFUWRKRR-STQMWFEESA-N 410.565 1.374 30 10 HDEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@@H]2c2ccccc2Br)CCOCC1 1658122037 UYVOMPHTZREBPA-YOEHRIQHSA-N 422.323 1.993 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@@H]2c2ccnn2C)cc1 1658320829 OAAYCDXXMCNXEO-GOSISDBHSA-N 419.507 1.832 30 10 HDEE Cn1nccc1[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 1659265787 WNWBQBNKTBTSBK-SFHVURJKSA-N 408.458 1.692 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1660578156 VFYZNMNOROUAPM-GDLZYMKVSA-N 416.547 1.572 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1 1660767515 YUHCDVFFQPDETC-UHFFFAOYSA-N 405.457 1.784 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC 1663037347 DPNKPHZFCOGBFX-VIFPVBQESA-N 402.778 1.776 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc3nc(Cl)ccc3s2)CC1 1664525322 NRAQJGFKEQSMOF-UHFFFAOYSA-N 412.924 1.005 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1670812738 ABAKPKBDFHFLLT-HNNXBMFYSA-N 418.498 1.694 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1670882683 SUOHUWIDWKTHHM-DGAVXFQQSA-N 423.457 1.028 30 10 HDEE O=C1NCCN1CCNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1676114499 ZOKZPUBEHDVKDA-OCAPTIKFSA-N 424.292 1.824 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)C1 1685177077 KOWSHARJUOZAQM-FXAWDEMLSA-N 415.513 1.578 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1685578989 RNTAGBKTCYPHJE-HNNXBMFYSA-N 409.450 1.303 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689986506 RGISCWWTVSJCEQ-BBWFWOEESA-N 417.535 1.715 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1690060730 GPUNIMFPTUDWIC-NRFANRHFSA-N 412.494 1.791 30 10 HDEE C=C(C)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690273265 KPWYDLVQIUUIMO-IYBDPMFKSA-N 403.870 1.999 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690511338 XWWQYOJCSLKERN-IBGZPJMESA-N 416.570 1.566 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)cs1 1693362778 WYEATVGMPXMPSG-YOEHRIQHSA-N 406.537 1.231 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1696090575 TVPVKFGBSLQRPZ-FXAWDEMLSA-N 417.466 1.295 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC 1705485301 HOSKAUYLXDWGHF-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1705550987 DEIUOTNUQNRVQS-OAHLLOKOSA-N 406.483 1.858 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705562684 HVPBPWSXCZFLSL-QGZVFWFLSA-N 418.519 1.900 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1705570621 PCJIGJQKDXKWDY-GOSISDBHSA-N 421.611 1.978 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nnc(C)s2)CC1 1705637240 OKLDBOILKPWXMF-UHFFFAOYSA-N 418.530 1.975 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)OC)C1 1705667934 ZLNNMEHHJZSJJN-ULQDDVLXSA-N 422.551 1.758 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cncn2)CC1 1705728961 FWSZZJINAVYJCX-UHFFFAOYSA-N 416.530 1.517 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)noc2C)C1 1705917268 VGFNXAYRTKQJIV-HIFRSBDPSA-N 424.527 1.323 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1706744630 VHMGBUMYVWAKKE-AWEZNQCLSA-N 403.450 1.766 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1706751905 WPCYUFMFSWKIHE-HZPDHXFCSA-N 410.478 1.979 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@]1(C)CN(C)C1=O 1712459908 YOTVTMLJBPTNBI-IBGZPJMESA-N 402.524 1.775 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1712565972 JRPAZYPDAWCYRS-KSZLIROESA-N 406.531 1.463 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1722293298 LVUAIUDFYZZLGD-HNNXBMFYSA-N 421.505 1.659 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722313920 ZNNSBBGHPHVMIR-UHFFFAOYSA-N 404.540 1.842 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722337293 XPXMCQJJAQCGMW-IAGOWNOFSA-N 400.527 1.631 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1722359523 OENFXWBJMRUBDJ-INIZCTEOSA-N 414.491 1.439 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371272 ILJLNOOPMPKLHV-AEFFLSMTSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCC 1722375442 OPPQITHVHYIUDK-NRFANRHFSA-N 414.531 1.973 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCS(C)(=O)=O 1722423781 OIHCEXORPXHLBY-UHFFFAOYSA-N 411.915 1.514 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722617385 JEPAEDPLCYEVMZ-BTYIYWSLSA-N 416.526 1.953 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1722630308 YEVZYRIZPYJRIV-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703455 AGQLOELMSHUUKH-CSODHUTKSA-N 421.542 1.482 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1722740363 OFXGQBJGWLKHPK-INIZCTEOSA-N 409.556 1.734 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCNC(=O)c2cc[nH]n2)cs1 1725220254 ANCPPFGZSCNKGS-GFCCVEGCSA-N 413.511 1.383 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C[C@@H]1N1CCOCC1 1726673338 XUHBEYGTKXQAOG-OPYAIIAOSA-N 423.565 1.924 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)NC1CC1 1727607535 MAFHYBQHIUKZEX-UHFFFAOYSA-N 408.510 1.493 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)OCO2 1730878863 XDSNCGOJOZTPJI-GDBMZVCRSA-N 415.450 1.508 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2(O)CC2)c1 1740561965 HTOHSXWCDNLSPO-UHFFFAOYSA-N 422.489 1.095 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1740601872 LQAXAPCYIHNROO-UHFFFAOYSA-N 412.523 1.398 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1740610406 ZLYOZOREIAOJMK-LJQANCHMSA-N 424.530 1.543 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCC(=O)N1 1740688724 UOPNPSJIJKOLCQ-GOSISDBHSA-N 406.490 1.646 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1740793812 YDFYBDGKCDXBQM-GOSISDBHSA-N 413.526 1.935 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1740899550 NNIFHFVZJXDICB-INIZCTEOSA-N 403.508 1.809 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740958569 QQTMLDMNHRXQQU-VBKZILBWSA-N 404.515 1.173 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@](C)(C(N)=O)C1 1740964040 FTBNYKOXWFUPKO-FQEVSTJZSA-N 416.457 1.000 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)cs1 1742590754 BGJQUHXASBMBDC-OAHLLOKOSA-N 403.512 1.277 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1748685084 UXBRZGWYUHKOGG-INIZCTEOSA-N 404.478 1.487 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1748710239 KNFQHENMYKXCBN-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)NCCOC)CC1 1748739298 DFWCINYETQZZQM-UHFFFAOYSA-N 414.510 1.145 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748811357 FHVBIYCSACZOMN-OAHLLOKOSA-N 423.489 1.956 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1748815479 QNZRIXGDUFYBLJ-INIZCTEOSA-N 418.494 1.978 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1749210148 CUKMEXZQGFZXOO-INIZCTEOSA-N 404.515 1.069 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749220713 ODCYOJWUIZOPTD-QGZVFWFLSA-N 413.526 1.917 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1749330563 HFEKMHNRCWBDHK-RTWAWAEBSA-N 405.543 1.399 30 10 HDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749609233 IRYIWRRHJUSTIL-ZFWWWQNUSA-N 413.478 1.872 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)c1ccc(C)cc1 1749670732 VTCHLUDHESIENT-HNNXBMFYSA-N 403.508 1.559 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCCN(S(C)(=O)=O)CC2)cc1 1749684053 ONYXRQUCJQHBOL-UHFFFAOYSA-N 405.524 1.671 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)COCCO1 1749832954 XWVYYWJOPCWUJH-FQEVSTJZSA-N 417.514 1.312 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1750059809 BWBPUOINHDHMOH-ZIAGYGMSSA-N 424.502 1.702 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1751095403 CGMNUFHUOFWQNJ-SJORKVTESA-N 408.572 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1760117610 RBSWDOGUWDJACB-YJBOKZPZSA-N 414.531 1.759 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760157259 JOMKXMNDXWTWRM-LJQANCHMSA-N 408.510 1.655 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1C 1760211224 BRMRAVWSTFNULU-UHFFFAOYSA-N 413.283 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(C)CN(C)C1=O 1760223482 TXVVUKGQQIEPIM-QHCPKHFHSA-N 421.501 1.807 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1760437832 PBKYCCYMWUKERF-FQEVSTJZSA-N 400.483 1.934 30 10 HDEE C=CCCCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1760444616 LUYOCFSWSBSYOT-OAQYLSRUSA-N 414.510 1.553 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1760456055 GHMKHIMJBAEALU-KBPBESRZSA-N 412.585 1.875 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCS[C@H](CC)C1 1760554989 SUHGSHQTDCRVJJ-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760678138 SRWUZVSBJNUOPL-RBUKOAKNSA-N 421.505 1.400 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1763088192 MJUKARGUEXAFAR-QFBILLFUSA-N 423.521 1.062 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCN(C)CCOC 1764911250 ASTMBINLOFSZBW-UHFFFAOYSA-N 415.517 1.756 30 10 HDEE CCO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1766182681 GDNVZOIQHZWZLY-SFHVURJKSA-N 412.494 1.822 30 10 HDEE CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766586006 WEPLIOFSPHIXDG-INIZCTEOSA-N 419.493 1.753 30 10 HDEE COC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCCC1 1768226212 CPPXBBYIGAIOIM-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N1CCOCC1 1769994520 KFBUXSMTTBOIHE-FRQCXROJSA-N 410.494 1.165 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)OC 1770760223 AZGWRTZXLWNPKA-IAGOWNOFSA-N 419.507 1.101 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1849306163 SAFQALJWIQAIPW-UHFFFAOYSA-N 415.471 1.806 30 10 HDEE CCOc1ccc(CN2C[C@H](C(=O)NCC#Cc3cnn(C)c3)CC2=O)cc1OCC 1850459641 PSANGMBSVBLZJT-LJQANCHMSA-N 424.501 1.734 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1)c1ccccc1 1851857094 ZUNCXXLEGXPDAJ-INIZCTEOSA-N 415.563 1.837 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1852666656 KRPIGIHUBMTRFY-UHFFFAOYSA-N 402.476 1.185 30 10 HDEE CN1O[C@H](CC(=O)NCC#CCN2CCOCC2)N(c2ccc(Cl)cc2)C1=O 1852791490 XNMMNTNNUQASGJ-GOSISDBHSA-N 406.870 1.311 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C[C@@H]([C@H]1CC=CCC1)N1Cc2ccccc2C1=O 1853323813 PINHIOVBHBMWBE-PXNSSMCTSA-N 414.527 1.922 30 10 HDEE CCC[C@@H](F)C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853692412 ZXYUENDWACBZPR-QZTJIDSGSA-N 406.502 1.726 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@@H]4CCOC4)C(=O)C3)C2)c(F)c1 1854211455 SYJUIWIXQLWLJA-PKOBYXMFSA-N 414.481 1.369 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CCC1=O 1854426813 BMHBWSBGWIWJHW-LJQANCHMSA-N 414.506 1.846 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)O[C@H]2CON(S(=O)(=O)c3cccnc3)C2)c1 1854944482 FFSGJPQHZDSIHO-CYBMUJFWSA-N 407.835 1.963 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)c3cccc(C#N)c3)CO2)cc1F 1855230295 QMGWIKGGNCSGAR-CQSZACIVSA-N 406.391 1.867 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1855312028 KYRAQADUJAHJQO-QGZVFWFLSA-N 423.579 1.630 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1=O 1855411755 JNGKRHYMMMFWDH-APWZRJJASA-N 409.490 1.740 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1855676979 YTMLPVOROZGJTL-HNNXBMFYSA-N 409.483 1.600 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nnn(C)c2C(F)F)CCN1CCOc1ccc(C#N)cc1 1855957585 WBWSZRYTCPBQIX-GFCCVEGCSA-N 418.404 1.376 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)CC1=O 1856816172 MPEDXRVXIPHASF-WMLDXEAASA-N 423.922 1.790 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4ccncn4)C3=O)CC2)c1 1857021433 SGPKHDIGJZBURM-GOSISDBHSA-N 406.446 1.275 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cnn(-c4ccccc4)n3)C1)CC2 1857220427 QYAVMJJSTNQPJH-IAGOWNOFSA-N 404.474 1.882 30 10 HDEE Cc1cnn(C)c1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857471987 YKPWOZBJUNYQPQ-OAHLLOKOSA-N 408.462 1.137 30 10 HDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782984 NPSOQPBSPSANFD-YJBOKZPZSA-N 418.563 1.760 30 10 HDEE C=CCOc1cn(CCCn2ccnc2)c(CN(CCOC)CCOC)cc1=O 1870387507 HDUSFZBDEWVOLH-UHFFFAOYSA-N 404.511 1.795 30 10 HDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN2CCCC2)cc1=O 1870561189 CGHUSCCPXYQUCO-UHFFFAOYSA-N 415.515 1.346 30 10 HDEE CCCCCCCCN=c1nc(N(CCO)CCO)[nH]c(=Nc2cccc(O)c2)[nH]1 1871715128 LRPVEKOOJYFUPC-UHFFFAOYSA-N 418.542 1.728 30 10 HDEE C=CCNC1=C(c2cccc(Br)c2)C(=O)N(CCN2CCOCC2)C1=O 1873053937 WFSIOEBJVXLGSJ-UHFFFAOYSA-N 420.307 1.637 30 10 HDEE NC(=O)CSc1nnc([C@@H]2CC(=O)N(Cc3ccccc3)C2)n1/N=C/c1ccco1 1874210550 WNWRWEAZVBZWDH-WPZNHYQYSA-N 424.486 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1993238476 CJENYGVWBUJTNB-ZNMIVQPWSA-N 424.498 1.328 30 10 HDEE N#Cc1ncccc1CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074667652 SHYSQORYSIGIAT-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NS(=O)(=O)CC2(C#N)CC2)CC1 2118166450 JHZCAZVEYIETOD-VWLOTQADSA-N 406.530 1.185 30 10 HDEE COC(=O)NS(=O)(=O)N(C)Cc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157041902 QBOUTMBMRIGUGP-UHFFFAOYSA-N 404.319 1.388 30 10 HDEE C[C@H](NS(=O)(=O)N(C)C1CCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186633359 VIRQRCLTAOHBJZ-NSHDSACASA-N 401.363 1.822 30 10 HDEE CC(C)(C)OC(=O)NCC1(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)CCOCC1 2195307637 XPSMTVPWFPNQCH-ZDUSSCGKSA-N 404.529 1.976 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(N)=O 2212760543 XTIIRUDDULMCGG-CYBMUJFWSA-N 407.276 1.138 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243387417 UEBHKMZCFKKKMO-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2243402847 NZAQWSYCITXFOO-WUCCLRPBSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2243406995 JGUXSJDWABDDNM-ZDUSSCGKSA-N 407.276 1.595 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC=CCNC(=O)OC(C)(C)C 2247838818 NTJPCMWEZMPRSE-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405087 RCRLGYLQJZRKGY-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2249445718 BMFWZFAUJRRSHK-HNNXBMFYSA-N 416.521 1.293 30 10 HDEE Cn1cc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(B2OC(C)(C)C(C)(C)O2)n1 2255623727 QWVRVVAULKLPHS-DZFIZOCASA-N 422.338 1.580 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267545777 NSYCQGYJJXIZKM-VIFPVBQESA-N 407.750 1.864 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC1CC1)NC(=O)OCc1ccccc1 2270525007 CYQCSIPWDUNOAH-KRWDZBQOSA-N 423.491 1.410 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)nn1C 2281991540 BHTVYXOIHWNCIS-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C)C[C@H]1C 2282318727 JTYQGKSZTQGAQD-GFCCVEGCSA-N 400.375 1.680 30 10 HDEE C[C@H](O)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282330752 DNDJARNFGPKVHC-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331161 KGMJPENNLRSQFT-NSHDSACASA-N 423.387 1.101 30 10 HDEE C[C@@H]1CNCC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282340902 LGETXXLGPSNGLN-STQMWFEESA-N 400.375 1.714 30 10 HDEE C[C@@H]1CCNC[C@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349087 ULTQKYAQXKZGJN-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CC[C@H](O)C2)OC1(C)C 2282503160 VSVORDAXGRDUGV-RYUDHWBXSA-N 402.347 1.023 30 10 HDEE CC[C@H]1COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506648 VNWIOVAZOIPRQD-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H](C)CS(C)(=O)=O 2282606117 NZXQYZBCKVHXKV-LLVKDONJSA-N 402.347 1.338 30 10 HDEE COC(C)(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282851917 JBZSXZGFHSSRNW-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282851983 JVYIXJRGKPAKNY-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CSCCCCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282853872 KISIHNQFWICBFX-UHFFFAOYSA-N 403.379 1.531 30 10 HDEE C[C@@H]1CNCC[C@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858722 BKPZLLFZMKQEOX-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)CC(=O)O 2284400132 RWRSUCJHKYNWFH-UHFFFAOYSA-N 403.331 1.887 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2289421015 LMNNYUJRAFYUEY-FROQITRMSA-N 406.379 1.351 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1nc(Br)nn1CCOC 2328390918 VGSSLHIEIGIBIX-NEPJUHHUSA-N 416.320 1.994 30 10 HDEE COCC1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 2365201773 BHDVMDQRVKVNTH-HNNXBMFYSA-N 402.557 1.804 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]21 2365203615 UNGWWQJJYPMPEX-UGUYLWEFSA-N 400.541 1.425 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](C#CC2(S(C)(=O)=O)CC2)OCCC(=O)O)CC1 2367794374 HIEMIHMNDZOPGX-CYBMUJFWSA-N 401.481 1.484 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367797160 TZTONZPQCILNJP-HOTGVXAUSA-N 401.525 1.734 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367808597 DVZHUBDCQCVKBL-YJBOKZPZSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367815181 GFELNEMVBRCDPL-DOXZYTNZSA-N 400.541 1.340 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367816327 HMLUBOZNDIQSFM-DAYGRLMNSA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2367823014 HBSNALITBBTWEN-DAYGRLMNSA-N 400.541 1.306 30 10 HDEE Cn1cc(S(=O)(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)cn1 2369956579 DFPCFWHLJQTYHR-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 29756050 FPQQDWLAUQFCJD-HNNXBMFYSA-N 417.462 1.998 30 10 HDEE C=CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OC)c(CC)c2c(=O)[nH]1)C1CC1 36207323 WZLJWULLRWXDQT-CYBMUJFWSA-N 421.519 1.862 30 10 HDEE CCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc([N+](=O)[O-])c1OC 169884308 DTCOPLFANIRUGV-XDHOZWIPSA-N 411.484 1.132 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)cn2cc(C(=O)N(C)[C@@H]3COC[C@H]3O)nc2c1=O 247971087 UMTFIUIPRQNIDZ-RTBURBONSA-N 424.457 1.189 30 10 HDEE Cn1c(O)nc(=O)c2c1nc(NN=Cc1cccnc1)n2CCOc1ccccc1 254796960 DHGCVWXCIRAQEW-UHFFFAOYSA-N 405.418 1.756 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 409525759 RDJQIFYVSHBJTN-UHFFFAOYSA-N 408.568 1.827 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1I 427792215 ZCFNBAYDDINEPU-CYBMUJFWSA-N 406.245 1.903 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]2C 440163741 MNXHWLBBQJKIFD-KBPBESRZSA-N 416.507 1.543 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 441220351 TXPMDBNHQZDKFV-SKPIDZIXSA-N 419.865 1.964 30 10 HDEE CN(C)CCOc1cc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)ccn1 462087841 KCQUXBVRYBWQPZ-UHFFFAOYSA-N 406.450 1.796 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)CC1 462138890 MCYXUIPEFNKNOP-UHFFFAOYSA-N 424.954 1.776 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 480525006 KDQFBSXGBFAARW-LLVKDONJSA-N 400.416 1.195 30 10 HDEE CCn1nc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(=O)c2ccccc21 489201497 GEQJJCXCRFSFGP-GOSISDBHSA-N 415.453 1.819 30 10 HDEE Cc1ncc(S(=O)(=O)N(CCCN2CCOCC2)Cc2ccncc2)cc1C#N 489238630 YOUGOFHBHBDJDR-UHFFFAOYSA-N 415.519 1.570 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 490008131 ZJDBEIVFPATYNB-QFIPXVFZSA-N 423.561 1.930 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(Cn2ccccc2=O)cc1 543753438 QLSLILBTCURTBM-UHFFFAOYSA-N 419.489 1.848 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@@H]2CCOC2)cc1 549682238 VINIRVQUKYSOFX-RBUKOAKNSA-N 424.505 1.286 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 552880715 RYJNEKIGCDQMLW-UHFFFAOYSA-N 422.526 1.702 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 553979423 XROFHKPPBVCZKH-QGZVFWFLSA-N 405.524 1.204 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(COC)CC1 559000324 ZHCHJHOAVOPEMC-INIZCTEOSA-N 413.544 1.050 30 10 HDEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 619645137 AVQZJCVZCHMDOF-LJQANCHMSA-N 424.432 1.870 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 619741717 XJUUYSNKXRYHMB-DYESRHJHSA-N 419.533 1.992 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 728930893 JJULJLVKNCXMIL-QGZVFWFLSA-N 422.533 1.485 30 10 HDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)OCCn2ncc(C#N)c2N)CC1 729810759 BOQHBASEKBHCDE-UHFFFAOYSA-N 410.478 1.844 30 10 HDEE CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730144238 IONQSCNUHYIMAX-HNNXBMFYSA-N 405.524 1.195 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cn1 730724871 TXDNLQFCMWTUPN-OAHLLOKOSA-N 419.511 1.091 30 10 HDEE C#CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 731213633 JWCJLCVFXCKNIJ-QGZVFWFLSA-N 412.433 1.295 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732468110 CEGHCAKLIGIOEW-UWZWCOGJSA-N 407.471 1.164 30 10 HDEE COC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC(F)F)c1 732707123 UXKDNVGJNFYEOD-ZDUSSCGKSA-N 422.388 1.212 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 733201711 LYYYWMMCCOSPOT-DVCONVQISA-N 401.536 1.015 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742657371 AGXPSXJIXBFZCB-HOCLYGCPSA-N 420.535 1.363 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1C#N 746877012 MDUKAZKZXWBFLO-OAQYLSRUSA-N 410.405 1.789 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)cc1C#N 747496877 SLAXTIGDTBYFBG-UHFFFAOYSA-N 419.235 1.283 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(C)c2)c1=O 748065480 NVVCGAWOLDAADI-UHFFFAOYSA-N 412.511 1.746 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 749519483 QGWAXLGPKWYQGF-ZIAGYGMSSA-N 421.519 1.694 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 757014739 LPVPEZHVBGAXHC-AWEZNQCLSA-N 414.487 1.129 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 760777643 NDKOXLFTWUXNAX-UHFFFAOYSA-N 415.475 1.098 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(Cc2nnnn2CC2CC2)C1=O 769736076 OLLWBPWWXBMXMX-OAHLLOKOSA-N 413.507 1.659 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774145814 JJWYVAPKVRBECI-MJGOQNOKSA-N 419.547 1.664 30 10 HDEE COc1ccc([C@@H](CN2CCCC2)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 779541702 GCCGLKSLVOOIMW-KHOFPDMRSA-N 412.490 1.865 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)cn2)C[C@@H](C)O1 780293772 XGYRULMTINXYJZ-GASCZTMLSA-N 414.487 1.827 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(N3CCCC3=O)c2)cc1C#N 788221813 CVCQLQVQDFPOMR-UHFFFAOYSA-N 406.442 1.626 30 10 HDEE C=CC[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 790624427 BHMAWZWEKIZNNT-PQORCFSTSA-N 418.494 1.975 30 10 HDEE C[C@@H]1[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1Cc1ccccc1 798409670 YHXBHJKGTSMNDW-RJNPEMNYSA-N 411.462 1.002 30 10 HDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@@](C)(O1)[C@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CC[C@@H](O)[C@]12C 1082873217 OHCQJHSOBUTRHG-UNVNLBOUSA-N 410.507 1.520 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)N3CCC[C@@H](C)C3)n[nH]2)cn1 1084137189 UARIFUJKUBBFQB-CYBMUJFWSA-N 406.516 1.444 30 10 HDEE COC(=O)c1ccc(O)c(N/C(=N/C2CCCCC2)N2CCN(CCO)CC2)c1 1088709924 GXLAQIJZIMXQJY-UHFFFAOYSA-N 404.511 1.889 30 10 HDEE C#Cc1cncc(C(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)c1 1124417443 XXNIEIVDIBKOLM-UHFFFAOYSA-N 424.482 1.836 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)c1 1125293608 ANAONKHJOFKYMU-KRWDZBQOSA-N 413.474 1.303 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1134718482 LQGYEJADLCJIJE-OAHLLOKOSA-N 422.503 1.353 30 10 HDEE O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCN/C(O)=C1/N=CC=CC1=O 1136671629 NOWCLEJISXNPNZ-NXVVXOECSA-N 423.223 1.542 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CS(C)(=O)=O)c1ccccc1 1137537012 FLLUXIUDVLFPKG-DOTOQJQBSA-N 413.503 1.214 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@H]1CCCC[C@H]1O)c1cc[nH]n1 1139617287 NTLLBUJGRLOBLU-DJIMGWMZSA-N 406.483 1.626 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1144923535 QKVCFIVLIHFKIW-JZXOWHBKSA-N 422.547 1.866 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3ccc(C#N)[nH]3)CC2)CC1 1148023147 HRQTZGUKVMRDMC-UHFFFAOYSA-N 416.482 1.317 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC(=O)NCc2ccccn2)CC1 1152366788 PCAGNAVFAVKNGA-UHFFFAOYSA-N 414.506 1.855 30 10 HDEE C#CCN(C(=O)c1nc(O)nc(O)c1OC)C1CCN(C(=O)OC(C)(C)C)CC1 1155366619 BSUDSWLKATZVAH-UHFFFAOYSA-N 406.439 1.371 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](Cc3ccccc3)C(=O)NC)ccc2c1=O 1161150822 UORYMNMNDAMYNG-GOSISDBHSA-N 422.510 1.958 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1162475425 VXUPGCMIJJXYQQ-WFASDCNBSA-N 417.325 1.825 30 10 HDEE CC(C)(CNC(=O)c1cccc(CNc2ncccc2C#N)c1)CS(N)(=O)=O 1171675109 AMCMLXQCOYSGIJ-UHFFFAOYSA-N 401.492 1.610 30 10 HDEE O=C(NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 1184273940 YLOKKFLWLWUGMY-UHFFFAOYSA-N 413.405 1.850 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1190403125 PYMNBNMFUDVPAK-HUUCEWRRSA-N 420.528 1.440 30 10 HDEE CN(C)C(=O)[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1191300997 DDZVQXWSRRZFHK-VIFPVBQESA-N 404.261 1.559 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)CCC1 1198033864 OINOAASPTBDVAE-UHFFFAOYSA-N 403.548 1.672 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1225031627 UPLWMVHPSGNQCO-LNLFQRSKSA-N 423.535 1.534 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)nnc2c1=O 1251103065 CODWIMUSAKFOCB-UHFFFAOYSA-N 421.461 1.095 30 10 HDEE COc1ccc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1C#N 1252146090 AKGMKQDWTWZHAL-HNNXBMFYSA-N 401.444 1.601 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1253779484 PECJZHMGAHATED-NVXWUHKLSA-N 420.514 1.688 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)C1 1286322859 HJOTVUGUFDXKKB-IRXDYDNUSA-N 409.556 1.651 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286324077 OAJPMCZMJPHRDA-INIZCTEOSA-N 409.556 1.446 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286348405 WIPIUIKVGHBEJH-UHFFFAOYSA-N 416.493 1.389 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1286387386 QQCFZQDYDDHCFH-GOSISDBHSA-N 424.530 1.548 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286503566 HWPWJLCFEKZDDF-FQEVSTJZSA-N 414.535 1.876 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286645698 GGCXNDUWTCENME-MSOLQXFVSA-N 403.527 1.823 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 1286688020 OMAORYCJOIDPKT-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1286693697 XYKYIZFFAGGOHI-HNNXBMFYSA-N 421.571 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(COC)CC1 1286820471 LVLUFBMVFHCBSR-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1287129569 XBJJCPLLGSFLKK-JOCHJYFZSA-N 423.521 1.681 30 10 HDEE CC1(C#N)CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1288988109 QKMRBWJZMCHHDF-HNENSFHCSA-N 409.494 1.887 30 10 HDEE CCOC1CC2(C1)C[C@H]2C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290635748 AORDPPLFOLQWDP-IPCDKGFNSA-N 403.504 1.596 30 10 HDEE C=CCOC[C@@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)OC 1297029800 OAYKUGYBWDZIKR-JRQWYPPZSA-N 407.511 1.505 30 10 HDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNS(C)(=O)=O)c1 1300359577 CJUDWPGCCJNRFP-UHFFFAOYSA-N 404.496 1.243 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1300468330 ZDJMLFHTRUYIRY-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1301390461 ICZNZXKCYOAKDI-HNNXBMFYSA-N 406.512 1.683 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(CC(F)(F)F)C1 1301582461 HCDRBRGEBCNASN-LBPRGKRZSA-N 418.441 1.210 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)C(=O)C1 1301617841 JRTVJPVMPIVYJQ-UHFFFAOYSA-N 404.540 1.131 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC(N)=O)c2)CC1 1303000535 HSSNJPJBIHXIDK-UHFFFAOYSA-N 418.461 1.387 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCN(CCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1304002215 NPWCFJVOBVILKL-DYXWJJEUSA-N 401.532 1.338 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1305310836 GBLHEFQPLSPCLW-AYMQEEERSA-N 400.549 1.281 30 10 HDEE CC[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1305379620 DBQZFZYUYSZOGD-MGPUTAFESA-N 417.535 1.849 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1305789120 CQNBJEOGEJQQRQ-ZIAGYGMSSA-N 412.441 1.349 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCN(C(C)=O)C1 1306199126 ZIVRVEHQVMPXBY-GOSISDBHSA-N 422.537 1.692 30 10 HDEE Cc1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)ccc1-n1cnnn1 1306893322 TZKRZNALXLJBFF-UHFFFAOYSA-N 406.402 1.488 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCOC1 1314081452 JAZHWPGRQRMAQL-XMSQKQJNSA-N 424.505 1.717 30 10 HDEE CO[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1315162473 CYARZKPDFSGGPU-FHLIZLRMSA-N 410.478 1.714 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1316064367 BMEWAWDCJMLYRH-IBGZPJMESA-N 414.510 1.651 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1358870538 OWFOWUUXBNQHMI-CYBMUJFWSA-N 414.901 1.813 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1358919587 FTZBIOPSDGOHLJ-RDJZCZTQSA-N 409.556 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CC 1358984597 BQDSUOCAFVSEBL-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)nc1OC 1358991132 OHRJYPOIXPVYOY-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(F)(F)F)CC1 1359037730 VBXVDEJWHGYFFF-UHFFFAOYSA-N 403.412 1.834 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359060141 LYOABCRRQMPDDI-JXFKEZNVSA-N 419.551 1.151 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1359291695 AIINVALOIFCTAN-AWEZNQCLSA-N 416.457 1.186 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1359332482 YPRPKVVWOAAUBR-VQIMIIECSA-N 407.540 1.903 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(-n2cncn2)nc1 1360161865 HSFGLFKXBUZJMK-AWEZNQCLSA-N 408.470 1.179 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1360247575 BVQRIAOGCDCXDB-QINHECLXSA-N 402.499 1.350 30 10 HDEE CC(C)OCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1360380285 RSZVMKHDHUQRDB-MAUKXSAKSA-N 413.519 1.827 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)C3CCOCC3)C2)C1 1445710067 NTASAKZWPAHCMC-NHUHVJRWSA-N 407.511 1.677 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1446141045 QBVSFHXXSIBVQO-CABCVRRESA-N 418.498 1.315 30 10 HDEE Cc1ccc(C(=O)NCc2cccnc2N2CCCC2)cc1S(=O)(=O)NCC#N 1453202561 HVPQJBMNRMHBNU-UHFFFAOYSA-N 413.503 1.722 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)NCC(F)(F)F 1462875414 GYDUUNDXIRFRAZ-SSDOTTSWSA-N 414.203 1.666 30 10 HDEE NC(=O)C1CCN(c2ccccc2NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1464740730 RMKRYITYCFOFQW-VZCXRCSSSA-N 411.462 1.243 30 10 HDEE C=CC[C@H](NC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21)C(=O)OCC 1466783558 QQIZRKMOKHFHBR-RGDJUOJXSA-N 416.396 1.596 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ncc4c(n3)CCC4)C2=O)cc1 1468893833 GPHAPRHDSKYZLB-KRWDZBQOSA-N 404.430 1.358 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@](C)(C#N)C1 1472146215 ORTIFWFSIOHVPI-KXBFYZLASA-N 404.492 1.281 30 10 HDEE CN(C)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)c1ccco1 1503378534 CJDUQRWKUSXQAA-QGZVFWFLSA-N 405.462 1.649 30 10 HDEE COCCCN(C)CCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504815204 QLKWDTZDBAMUFE-FQEVSTJZSA-N 424.553 1.485 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccccc1OC 1504998512 JMGZLKJYELPPDM-SJLPKXTDSA-N 415.494 1.982 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCCN(C)C 1505073799 PBWMCBUMUTVAGL-WFXMLNOXSA-N 420.558 1.710 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(C(N)=O)CCOCC1 1507538898 XWPOJUBBRHWBJK-CYBMUJFWSA-N 402.524 1.374 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1507624559 BMTCAFUPFZDTQI-HOTGVXAUSA-N 410.540 1.429 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507986269 LADOLJSBXRMUGL-HNNXBMFYSA-N 402.430 1.607 30 10 HDEE C=CCn1c(-c2ccc(Br)s2)nnc1N(C)CCNS(C)(=O)=O 1508046847 IQHBNZLQHTUSAP-UHFFFAOYSA-N 420.358 1.941 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](CC(C)C)N(C)C 1513406466 BNQDJGSJRVXJDQ-MSOLQXFVSA-N 419.574 1.902 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)COCCO1 1519426249 YBCZYSUJNJONTC-FIKGOQFSSA-N 419.526 1.938 30 10 HDEE CS(=O)(=O)[C@H]1CSCCN1C(=O)Cc1ccc(Br)cc1C#N 1525407522 YESKYANIZVSOHQ-AWEZNQCLSA-N 403.323 1.809 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)c(C#N)cn1CC 1529323145 UKHLEDPLHIXLQT-GFCCVEGCSA-N 415.450 1.748 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539142966 ZUCIITDTCTULFV-QZTJIDSGSA-N 400.527 1.286 30 10 HDEE Cn1ccc(N2CCC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n1 1539172945 RQSFLSACXWWCAB-GJZGRUSLSA-N 418.498 1.619 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1539217003 ZCESNWWCTMWIAN-IAGOWNOFSA-N 420.539 1.120 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCOCCN(C)C)CC1 1539444682 SSTMSZOXDKSBOO-UHFFFAOYSA-N 412.538 1.287 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCCC2)C1 1539489310 LCJGDRJXGGWFTB-SFHVURJKSA-N 416.595 1.945 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1539556808 WKWVBATXGVDUKJ-LAUBAEHRSA-N 401.511 1.761 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1539705166 QMGRZMRHLCKHJZ-IAGOWNOFSA-N 423.583 1.745 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1539728752 DHAFXTQQCMUICP-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539824358 RFPHEFWBFOOSBW-HUUCEWRRSA-N 415.947 1.886 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nncn2CC)CC1 1539874479 GWIULIITAGGDCA-HXUWFJFHSA-N 401.515 1.992 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1540068923 GGQZQFXJHPFLII-OALUTQOASA-N 410.522 1.752 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOCC1 1540590974 ILHRMVVUAWUMPJ-UHFFFAOYSA-N 416.478 1.822 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(CN2CCCC2)c1)c1cc[nH]n1 1540833957 FJNJJDQBOOGGAN-UHFFFAOYSA-N 413.478 1.606 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](COCC)C1 1540862245 WHWLQQKJYPRJTM-INIZCTEOSA-N 404.515 1.069 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N2CCCC2=O)CC1 1540870704 UOPYIHNZABLSDR-KRWDZBQOSA-N 416.526 1.413 30 10 HDEE C[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)CN1CCN(C)CC1 1542935645 HGDOKHFGYAOJER-AWEZNQCLSA-N 409.328 1.699 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)cc2C1=O 1543711258 RERSDMVKQFMRSW-SFHVURJKSA-N 420.469 1.494 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCN(CC#N)CC3)cnn2c1 1544079718 UXLDFRKELHCLQJ-UHFFFAOYSA-N 413.482 1.078 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 1545776543 GTIZEOISHMPUQL-ULQDDVLXSA-N 406.494 1.846 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C#N)CC1 1547741715 JUTVGQWNRTXACD-HNNXBMFYSA-N 406.531 1.904 30 10 HDEE COCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1555720039 WMRZGGBADZSCLI-HOTGVXAUSA-N 419.457 1.949 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)C1 1555798553 GJRIIKLLNMANFY-GOSISDBHSA-N 413.503 1.787 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1555802614 MSRWEEKKOUJWOY-CRAIPNDOSA-N 413.519 1.829 30 10 HDEE N#CCc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1557191884 WMQAQFSQDSHEFM-UHFFFAOYSA-N 415.471 1.509 30 10 HDEE CC#CC[C@H](CO)NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1557364741 XMYYQCDIDRQCJE-LJQANCHMSA-N 403.523 1.904 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O)C(=O)OC 1558383890 RPPAOAKCTJJAKX-INIZCTEOSA-N 411.480 1.644 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncc(C#N)c1 1558450288 UXNXMSUPWMYTGH-QGZVFWFLSA-N 411.487 1.723 30 10 HDEE N#Cc1ccsc1NC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1563023360 FJIIJQGCFXCMGE-UHFFFAOYSA-N 401.473 1.918 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2nnc(N)s2)CC1 1565661609 IBOAPMPJXKRVDQ-ZDUSSCGKSA-N 421.324 1.834 30 10 HDEE O=C([C@H]1CCCN(CC(F)(F)F)C1=O)N1CCN(CC(F)(F)C(F)F)CC1 1565767122 UTJUCZWWCFKPHM-SNVBAGLBSA-N 407.330 1.832 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1565899903 UBDJVVVUBMHNNW-CVEARBPZSA-N 400.460 1.154 30 10 HDEE CN1CC[C@@](Cc2ccccc2)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1=O 1569815846 QBGMOEZVRYBROI-QHCPKHFHSA-N 403.486 1.693 30 10 HDEE CCCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1F 1585660822 WVGXZCIXLAKCSN-ORAYPTAESA-N 417.466 1.369 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 1587146274 IHNSLGKHJGBFAV-KSSFIOAISA-N 414.487 1.141 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1588228064 AAXRUFBAMKQVKN-HNNXBMFYSA-N 418.548 1.046 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1594858334 YQJPZUDZZKESRI-KUHUBIRLSA-N 424.498 1.729 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1594937214 UCWGWBOUVMFRDR-IBGZPJMESA-N 403.556 1.509 30 10 HDEE Cn1c([C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc2)nc2ccccc21 1597725095 HEZLFDWJIPUFMD-IBGZPJMESA-N 414.425 1.613 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCOc3ccc(Cl)c(Cl)c3)C2)c(=O)nc1O 1607489673 RTXBOFKVRFSMJA-UHFFFAOYSA-N 409.229 1.980 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCO[C@@H](C)C1 1608405208 GEVSSSJOMICYCN-OXJNMPFZSA-N 421.521 1.359 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1OCC[C@H]1C 1611672872 AWVGGHDFMBZMOA-IIAWOOMASA-N 410.544 1.443 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCc1nccnc1C 1614028348 AMANCNQUGJHACO-OAHLLOKOSA-N 418.509 1.558 30 10 HDEE C=CCCSCCNC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1616881084 CSOZEIXLKNWAMB-UHFFFAOYSA-N 404.579 1.737 30 10 HDEE N#Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1620350932 OWOPAKZKNUEUIW-UHFFFAOYSA-N 407.434 1.324 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)cc1OC 1624057744 NUOBZPVIKAVQBT-IOBAAEILSA-N 423.487 1.462 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(CO)c2cc(Cl)cc(Cl)c2)C1=O 1627556798 DRKLHTGTWPEWFA-KRWDZBQOSA-N 414.245 1.294 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccnc1-n1cnc2ccccc21 1628054554 JMYVXYQEAQIPGQ-XDOYNYLZSA-N 416.441 1.953 30 10 HDEE CN1CCCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1628269731 GONSDJFKLUWMDT-QGZVFWFLSA-N 417.941 1.708 30 10 HDEE C=C(Br)CNC(=O)NC[C@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1630505883 GOFIYCQPFRKIGR-LBPRGKRZSA-N 402.264 1.947 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1635386599 OWLJFPZWABVVNI-LJQANCHMSA-N 402.539 1.693 30 10 HDEE CCOC(=O)[C@H](CC=C(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1636188376 JQBVMIUQWPZFBB-HNNXBMFYSA-N 407.492 1.519 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)Cc2ccc(O)cc2)s1 1637116541 MRLQGWFNEJOMIH-CQSZACIVSA-N 410.517 1.180 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1cncc(C#N)c1 1638835487 NWMGBUOGRGHICM-AQNFWKISSA-N 406.364 1.555 30 10 HDEE C=CCOC[C@H](NC(=O)C[C@H]1C(=O)Nc2c(Br)cccc21)C(=O)OC 1639559223 VENWWQKYNHRRHV-YPMHNXCESA-N 411.252 1.735 30 10 HDEE CCc1nc(C#N)cc(N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)n1 1640490318 ZIGNSAFCGWZSNP-KGLIPLIRSA-N 407.496 1.133 30 10 HDEE O=C(Cn1ccc2ccccc2c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641857881 LEJRQYCYTBJUHU-UHFFFAOYSA-N 405.410 1.906 30 10 HDEE Cn1c(N2Cc3cnn(-c4ccccc4)c3CC(C)(C)C2)c(C#N)c(=O)n(C)c1=O 1642997102 MULCLHXFGNTFLE-UHFFFAOYSA-N 404.474 1.730 30 10 HDEE CS(=O)(=O)c1ccccc1CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1644328124 HWNHJYYCBFFBHP-UHFFFAOYSA-N 420.512 1.235 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 1644942666 FBNFSNWZFNFLBH-IXDOHACOSA-N 412.552 1.026 30 10 HDEE CSCC[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1nn[nH]n1 1646037492 TUFFDJQYLDKPIN-AWEZNQCLSA-N 408.528 1.761 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N=[S@@](C)(=O)c2ccccc2F)c1 1653698056 ODAGUXXKUPTITJ-SANMLTNESA-N 409.464 1.737 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCN(CC(F)(F)F)C2)c1 1654605360 DNZGFQNNSCUDGH-AWEZNQCLSA-N 418.441 1.227 30 10 HDEE C[C@H](CO)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1654980961 FDYODRYADMPBMZ-DYESRHJHSA-N 402.514 1.875 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CC1 1656068290 UUTCGIZKDWHITK-UHFFFAOYSA-N 404.485 1.126 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)NC)n(C)c1)c1ccc(Br)cc1 1662182661 ZEEUXEOHDNNGRZ-AWEZNQCLSA-N 410.293 1.800 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OCC 1663611423 SIUXFKWWVZXNTL-SECBINFHSA-N 414.709 1.844 30 10 HDEE C#Cc1ccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc1 1669438954 SGWSAFZIJMOMLS-UHFFFAOYSA-N 419.441 1.483 30 10 HDEE C=CCN(C(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1)[C@@H]1CCS(=O)(=O)C1 1670857986 CQLBPNRCJALJOG-LLVKDONJSA-N 415.493 1.729 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc3c(s2)CC(C)(C)CC3)CC1 1672402286 RCPLXQGLNHDPRC-UHFFFAOYSA-N 411.553 1.275 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(OC(C)C)c(F)c2)CC1 1676284084 QITYDRMTUCGTLY-UHFFFAOYSA-N 416.450 1.369 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 1678315347 CWCASZYDJKTVID-UHFFFAOYSA-N 421.932 1.572 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1683479516 DCGDEPQQIGNLOI-LPHOPBHVSA-N 423.535 1.692 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1686368364 GVLPWKALSUGRQJ-ICSRJNTNSA-N 419.497 1.571 30 10 HDEE CCn1ncc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1687151197 RMRHHPKFJWWCKO-UHFFFAOYSA-N 405.466 1.592 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2CC)CC1 1687205747 GCTBSJKBHNIPGR-MJGOQNOKSA-N 401.507 1.908 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)NC[C@H]2C1 1689914714 AWJIDVUYFNFYSJ-ZDUSSCGKSA-N 418.299 1.663 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1689978291 RNCSHUFVEUXLOH-HNNXBMFYSA-N 407.540 1.233 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@@H]2C)n1 1690108002 LPTLTQMPESUSOV-FUHWJXTLSA-N 411.510 1.578 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1690320536 WELKOYBBZZMBEK-MRXNPFEDSA-N 413.544 1.240 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1690998486 YVGHJXZUJPSXPP-KRWDZBQOSA-N 418.509 1.779 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1696582816 MJCGWXYRXMSQIY-QGZVFWFLSA-N 412.494 1.822 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1698191763 SMFOIOZNRQAKFG-SFHVURJKSA-N 422.493 1.625 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705532501 OLKJFLDHMNRIPP-SJORKVTESA-N 419.526 1.925 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1705564303 BOZXEBREMFBJGG-XHSDSOJGSA-N 414.503 1.131 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1705583416 XUYGGJGWPHOJFW-DYESRHJHSA-N 412.515 1.161 30 10 HDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1705664216 XWXKXCXQSOSPFN-QGZVFWFLSA-N 413.547 1.750 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC=C(C)CC1 1705934673 UIIKYGYPJQSXSJ-UHFFFAOYSA-N 419.507 1.763 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722371716 XSZMWROJNFQUKO-IXDOHACOSA-N 408.524 1.325 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2C[C@@H]2C)CC1 1722440380 DWOUBNSOUVMGHP-WMLDXEAASA-N 400.527 1.743 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(C(N)=O)CCCC2)CC1 1722447185 GGPHNHQCZUNECL-UHFFFAOYSA-N 412.538 1.557 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1N(C)CCCC1(C)C 1722680087 WGGBGFFFBXGPHU-DLBZAZTESA-N 404.559 1.988 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS1 1722682238 YNWWFKUICDYXBI-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC(=O)N1 1727004145 PGRNURUDCJFXLL-DOTOQJQBSA-N 408.510 1.663 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1740547478 VRWBHEGJFQZZFD-AWEZNQCLSA-N 417.477 1.310 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCNS(=O)(=O)CC 1740556552 IJYXGXTULOJARO-MRXNPFEDSA-N 405.524 1.563 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)COCCO1 1740687193 VCGQVAQYCJYHIN-OAQYLSRUSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2ccccc2C)CC1 1740689049 OMJALEOTJCYDQF-UHFFFAOYSA-N 422.533 1.657 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740958982 YDVMGAYFHAIPQD-IAGOWNOFSA-N 403.527 1.953 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2ncn(C)n2)C1 1740983474 JOYGHVHANHVWOZ-GOSISDBHSA-N 409.494 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1 1740990891 IYYUAWDLIMGVEO-MRXNPFEDSA-N 403.508 1.466 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)CC1 1740999328 DXMRUQQEAZBNDU-UHFFFAOYSA-N 410.569 1.284 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1741000393 QAQKINRCRDWWNJ-HNNXBMFYSA-N 424.596 1.958 30 10 HDEE CC(C)N1CCC(O)(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1741620234 DKNDYGIZWAOMHQ-LJQANCHMSA-N 414.489 1.412 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748808623 MIQVQXXOKDADFF-INIZCTEOSA-N 406.508 1.636 30 10 HDEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2Cc2cn(C3COC3)nn2)c1 1748898055 DXCDTSSFTZZZNN-CQSZACIVSA-N 408.466 1.903 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749126458 CKNQBYYHDARDPC-UYAOXDASSA-N 416.570 1.737 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cn(C2COC2)nn1 1749165499 HABFSEFNKLBBKF-UHFFFAOYSA-N 411.514 1.753 30 10 HDEE C=C(Cl)Cn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1749283881 DDYFEJZRPWVUJB-IBGZPJMESA-N 419.917 1.799 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749450946 YIRILZDVTUEKOS-MSOLQXFVSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1749676427 PWCBVUWPDANPRQ-QGZVFWFLSA-N 423.521 1.061 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CCCC2)CC1 1749738132 GPKIOQNGMJDAPY-UHFFFAOYSA-N 407.584 1.896 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1760098498 SXPSBPYNYUNIBZ-KGLIPLIRSA-N 415.585 1.258 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187550 WTZIUTRSYSWDFW-ZWKOTPCHSA-N 421.611 1.978 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1 1760250270 XULAJBZTAGJEEC-HNNXBMFYSA-N 412.581 1.552 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)CC)CC1 1760398204 OXZJHQBFQZZFGE-LJQANCHMSA-N 412.556 1.767 30 10 HDEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1761311661 PRNFXMYGUDMOHB-CRAIPNDOSA-N 412.560 1.833 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1761361046 ZQFLQIVFRPGEHZ-OLZOCXBDSA-N 420.495 1.179 30 10 HDEE Cc1noc(C)c1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1762665645 OBEOSZGZARWUQG-OXJNMPFZSA-N 416.482 1.701 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1768634669 UMWAOIMFSUGJDV-RCCFBDPRSA-N 410.478 1.277 30 10 HDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1769026436 AZROHVKIWRHJKD-OOHWJJMZSA-N 424.571 1.833 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1769199661 HGZJKNXREGGVEP-MOPGFXCFSA-N 424.505 1.585 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1c[nH]nc1C 1771223311 UJTVCCUYMWKRRI-DOTOQJQBSA-N 403.487 1.395 30 10 HDEE C#CCCN1CCN(C(=O)c2cn(-c3ncccc3-c3nc(CC)no3)cn2)CC1 1848490897 QANSPPVGKGPVNU-UHFFFAOYSA-N 405.462 1.661 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1850221632 RMPBMAHVJBAMFX-GOSISDBHSA-N 408.499 1.331 30 10 HDEE CN(C(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H]1CCS(=O)(=O)C1 1850852300 XLYQBXSAOHLCGO-KRWDZBQOSA-N 412.515 1.968 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)c(C#N)cc1C#N 1851054490 DVWBCBALXKZXHD-MRXNPFEDSA-N 423.860 1.939 30 10 HDEE COc1ccc(-c2nc(C(=O)NCC#CCN3CCOCC3)cs2)cc1OC 1853325821 WJGXUGJAEVXORH-UHFFFAOYSA-N 401.488 1.893 30 10 HDEE Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2cccc(-c3ccc(C#N)cc3)c2)C1 1853349468 ZXRUDOJWOSVSKO-UHFFFAOYSA-N 407.455 1.652 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cn(C)nn2)c2cccc(OC)c2)CC1 1853505544 BLZNZMZUJIGRPK-UHFFFAOYSA-N 405.480 1.730 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1=O)[C@@H]1CCN(C)C1=O 1853828466 MPJVZOFUOMZIEB-VQTJNVASSA-N 408.502 1.878 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1=O 1853829417 VULGSGVIGJDZLF-SJORKVTESA-N 403.454 1.684 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1853947937 AQOSQHBCEMFYGI-WMLDXEAASA-N 423.922 1.656 30 10 HDEE C[C@H]1CC(=O)N(C(=O)CN2CCCS2(=O)=O)c2ccccc2N1[C@H](C)CCC#N 1854251276 OILRFAISEKHBMU-CVEARBPZSA-N 418.519 1.873 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncnc1 1854483005 FRYXKUQRPAITAC-UHFFFAOYSA-N 412.471 1.959 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)CCn3nnc4ccccc4c3=O)C2)CC1 1855074772 ANYCFGQMPOQRIR-QGZVFWFLSA-N 409.490 1.455 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)C1 1855121798 FDWGCTAZOJVZHK-YJBOKZPZSA-N 410.474 1.059 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855899278 OLMPJZHYIMHUIZ-INIZCTEOSA-N 404.492 1.392 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)n2)cc1 1856489070 SHGWIRWNGZWMQM-VQIMIIECSA-N 407.474 1.753 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CSc3ccc(OC)cc3)OCC2=O)CC1=O 1856585305 SKWCRXINNKENMT-HOCLYGCPSA-N 404.488 1.576 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1=O 1856901160 AJXGDRLDPJBADU-KGLIPLIRSA-N 412.439 1.016 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)Cn2nnc3ccccc3c2=O)c2ccccc21 1856964572 CIZNDRYHPYDNID-UHFFFAOYSA-N 402.414 1.475 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@H]1CCN(C)C1=O 1857076374 GIEKZXHPWDNQGK-IRXDYDNUSA-N 418.563 1.786 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc3c2OCCO3)C1)[C@@H]1CCN(C)C1=O 1857263190 QICBNWCMHKGHFY-DOTOQJQBSA-N 413.474 1.165 30 10 HDEE Cc1nnc([C@@H](CC(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)c2ccccc2)o1 1867029816 AYQNWRPGVFIROO-PKOBYXMFSA-N 419.441 1.888 30 10 HDEE CCN(CC)c1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1 1874432773 WUTSFIXOHQGWPZ-UFFVCSGVSA-N 403.512 1.220 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3nccc(N4CCOCC4)n3)CC2)c1 1890102884 TVXLZVMXRLQYJT-QGZVFWFLSA-N 406.490 1.903 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1908253900 CEYGFAPCECJQEK-RBGFHDKUSA-N 422.331 1.907 30 10 HDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985150100 LSUXJHAVGZYBAA-ROUUACIJSA-N 418.494 1.694 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(F)cc3F)s[nH]2)OC1(C)C 2166415608 AZSDTDVTBHYKAE-UHFFFAOYSA-N 403.241 1.338 30 10 HDEE C#CCn1ncc(NCc2cnn(C)c2Br)c(Br)c1=O 2173122184 UBTAMQCKSDYEQU-UHFFFAOYSA-N 401.062 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CC[C@@H](C#N)C2)C(F)(F)CC1 2174780084 QBFKRDPMLXQMFD-STQMWFEESA-N 408.471 1.701 30 10 HDEE C[C@@H](NC(=O)C1(S(C)(=O)=O)CC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186634045 GVWXEUSJDTUZCP-SNVBAGLBSA-N 400.331 1.197 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1C#N 2187580930 XOHIKPHAWNDCPW-UONOGXRCSA-N 415.899 1.860 30 10 HDEE Cc1cnc(NC[C@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212758651 OBISCZCOORSHGA-CQSZACIVSA-N 407.320 1.987 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1cscc1B1OC(C)(C)C(C)(C)O1 2235499458 GGEIBUTZQOBQFL-HUUCEWRRSA-N 401.359 1.291 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)S(=O)(=O)CS(C)(=O)=O)s1 2237636966 KVRWBKLYBCGCFR-UHFFFAOYSA-N 423.387 1.119 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248404573 LJVQJYXLRHBLKP-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258134210 LKHZHYCRYSUTAP-WBVHZDCISA-N 410.492 1.682 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258183784 YHVKUHADCYSXIH-MRXNPFEDSA-N 410.492 1.677 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NO[C@@H]3CCOC3)cc2Cl)OC1(C)C 2267702423 GSXMGLJJDBKERX-SECBINFHSA-N 409.722 1.700 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](N)C(F)(F)F)c2)OC1(C)C 2267717060 XAXLYLLYZMEKBW-VIFPVBQESA-N 400.253 1.215 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2269036340 KONROLSKQVMREM-VIFPVBQESA-N 407.706 1.548 30 10 HDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270532634 VJGLQLMMUHDWCV-GOSISDBHSA-N 416.455 1.814 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC[C@H](C2OCCO2)C1 2281809395 VHMCGDXJTAYFJO-AWEZNQCLSA-N 403.284 1.829 30 10 HDEE CC[C@@H](C)N1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282340278 DCZJZKXSERXNFH-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]23COC[C@@H]2C3(F)F)OC1(C)C 2282347315 WKHZENNWAZRTIP-IINYFYTJSA-N 407.269 1.360 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3nc(O)n[nH]3)c(Cl)c2)OC1(C)C 2282409319 OCTLFPZFFSGTKL-UHFFFAOYSA-N 400.653 1.264 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282423524 PSRJHHXWMCPVSA-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE CCN(C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2282483514 YTNQMFVNJQJYHT-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE C=C(CS(=O)(=O)N=[S@](=O)(C(C)C)[C@H]1CCNC1)B1OC(C)(C)C(C)(C)O1 2282488976 BFRCWLNCGWNPGN-RXBISOJRSA-N 406.379 1.742 30 10 HDEE C[C@@H](CO)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502154 HFJJAFBMIUPJNN-CYBMUJFWSA-N 403.375 1.875 30 10 HDEE C[C@H]1[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1(F)F 2282508996 DQZBJURPELUMMD-VHSXEESVSA-N 408.301 1.763 30 10 HDEE CC1(C)[C@@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282510885 GAPQVFWOCUNJHM-AWEZNQCLSA-N 401.721 1.783 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282529814 LTOHCPZVHQWBRA-HNNXBMFYSA-N 402.300 1.996 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836053 FDFIYBKYXOVLOC-GFCCVEGCSA-N 402.347 1.144 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](N)CC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282836384 IZKLJSIMZXWCDF-STQMWFEESA-N 400.375 1.856 30 10 HDEE C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CN1 2282842692 BMCUXJYJJFJZSX-NEPJUHHUSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2C[C@@H]([C@H](F)CO)C2)OC1(C)C 2282872304 USAVTNJGCDUAMC-NTZNESFSSA-N 405.322 1.435 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@](C)(C(=O)O)C3CC3)s2)OC1(C)C 2284396800 FYTYMRJAYIFWCH-INIZCTEOSA-N 401.315 1.579 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2([C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365193261 GRNZFLQVIOMGRF-ZRGWGRIASA-N 401.525 1.590 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365198519 GLJASAJSRRDUDA-ZRGWGRIASA-N 402.557 1.538 30 10 HDEE C[C@H](C[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)NC(=O)OC(C)(C)C 2367790745 WOMULRROROVSGB-ZIAGYGMSSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@H]1C 2367827295 GONSTQBFUHDNDW-CLCXKQKWSA-N 400.541 1.163 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367834110 OXNLNANWAOEMMW-RVKKMQEKSA-N 402.557 1.585 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CC)(C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2372721626 GKTLXSAETRYYPL-PMUMKWKESA-N 402.513 1.255 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2372806993 IMWZZLLOEWVNJW-LBTNJELSSA-N 402.513 1.514 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2373484851 PVCDPSZUWMUKDQ-LBTNJELSSA-N 400.497 1.009 30 10 HDEE CC(C)[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 63696454 GYCYXALYEWGTES-IBGZPJMESA-N 417.469 1.923 30 10 HDEE COc1nc(Oc2cccc(C=NN/C(N)=N/[N+](=O)[O-])c2)nc(N2CCCCC2)n1 254866768 RUSRJYWCRPJWDU-UHFFFAOYSA-N 415.414 1.093 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccccn2)C1 256033013 KKAFLROMCPEWNH-VNHYZAJKSA-N 422.445 1.580 30 10 HDEE Cn1c(N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(C#N)c(=O)n(C)c1=O 301392527 IFSVFWFRGFLTGO-UHFFFAOYSA-N 408.487 1.858 30 10 HDEE COc1cccc(Cn2[nH]c(C)c3c(NC(=O)[C@H](C)n4cnc(C#N)n4)nnc2-3)c1 409677886 DKJGZDTUDTWXCJ-LBPRGKRZSA-N 405.422 1.739 30 10 HDEE C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 409951327 LBVHENKRIDIYIX-UONOGXRCSA-N 402.480 1.470 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1 465893491 PNUVQAMWGBEOBQ-UHFFFAOYSA-N 422.489 1.533 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(c2nccn(C)c2=O)CC1 466710289 LLCIOWHLSTYVBZ-QGZVFWFLSA-N 424.505 1.246 30 10 HDEE C[C@@H]1[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 466846380 PEOLVJPCDGOUGS-YLJYHZDGSA-N 418.501 1.974 30 10 HDEE Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478977079 QDZWJSHYPBGTFZ-AWEZNQCLSA-N 415.519 1.925 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(F)c1 480710471 DGJUALCDJGDEJI-GOSISDBHSA-N 402.451 1.703 30 10 HDEE COc1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 486626262 HOJNUQKTWIHYTC-QGZVFWFLSA-N 403.435 1.785 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 499424666 VPYARZHDBZVVGY-UOYADTOYSA-N 414.259 1.937 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)C[C@@H]3CCCN3CC)cc2C1=O 505841071 VQUGZEHDRHOPGE-SFHVURJKSA-N 412.534 1.957 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1C#N 511083907 XZKUWNZKXAEQEN-UHFFFAOYSA-N 414.490 1.798 30 10 HDEE CCOC(=O)C1(O)CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 513416641 PKRCETWJUMBEBS-UHFFFAOYSA-N 403.454 1.830 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc(OC)cc1OC 513565586 JCCGMGKQACIXJB-UHFFFAOYSA-N 403.435 1.971 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)CC1 539456288 OWRPFQKSTQGKNT-CZUORRHYSA-N 402.442 1.456 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 545462832 IXFIQEUGWLVLDX-UHFFFAOYSA-N 403.464 1.067 30 10 HDEE COc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)c(OC)c1 546207857 GVCCWCSDGOLNKN-SFHVURJKSA-N 421.457 1.425 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2CCOC[C@@H]2C1 549687807 ICKDPBPBBHHDKN-KRWDZBQOSA-N 417.535 1.446 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N3CCC(Oc4ccc(C#N)cc4F)CC3)cnc21 552343978 PXZDZXSGYZTFPT-UHFFFAOYSA-N 410.409 1.211 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 555331390 QTVQPOMKTKPFQA-QFBILLFUSA-N 415.490 1.992 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 558917646 QUPRRNUHXLDSOU-UHFFFAOYSA-N 407.540 1.373 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 563256279 RXDXZFMCBJBIFL-INIZCTEOSA-N 416.493 1.603 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 580264669 JGUCVGKZCPCIRG-VCBZYWHSSA-N 407.492 1.022 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(C1)Oc1ccccc1O2 582445305 LAXMFTWGZTVCMF-CQSZACIVSA-N 413.455 1.625 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(CCC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729332726 WAORMGICNKYYMZ-IEBWSBKVSA-N 402.516 1.641 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1)[C@@H]1CCS(=O)(=O)C1 729332738 WNCKJKAIGLTETG-GOEBONIOSA-N 406.529 1.410 30 10 HDEE CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 729884873 QTDQLNXQVAOSFF-UHFFFAOYSA-N 420.422 1.134 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730143124 UJZPZRMKAVQBNO-MRXNPFEDSA-N 406.552 1.949 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(F)cc1F 730220100 MAUHXLBMLLPCDI-UHFFFAOYSA-N 423.441 1.979 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224393 QXWYYBWCADLZPE-MRRJBJDNSA-N 418.519 1.823 30 10 HDEE C#CCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@@H]1CCS(=O)(=O)C1 745984761 ZNZZESQLASYTTO-LLVKDONJSA-N 421.263 1.788 30 10 HDEE CN1CCOc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc21 746647394 FPKKYBIFGGXSDT-UHFFFAOYSA-N 400.460 1.583 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)C(=O)C1 748507451 GGXMWQSMZZXTLP-INIZCTEOSA-N 418.519 1.117 30 10 HDEE C[C@H](C(=O)OCC(=O)NC1(C#N)CCCCC1)c1ccc(S(=O)(=O)N(C)C)cc1 752612145 BBKXFUFTLOKIOY-HNNXBMFYSA-N 421.519 1.926 30 10 HDEE CN(C(=O)COC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(C)(C)C#N 767747042 PKKKMQFNJCIMHQ-GOOCMWNKSA-N 421.494 1.752 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncs2)c1=O 767881427 WQCCSDIXUZHNTM-UHFFFAOYSA-N 422.535 1.789 30 10 HDEE COCCCS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 767954877 GXDJZCWGZNWCOV-QGZVFWFLSA-N 406.508 1.701 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cnn3cc(Br)cnc23)c1 769870276 QPOMLSGOMHDPFX-UHFFFAOYSA-N 412.247 1.866 30 10 HDEE C#CCN(C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 774035721 KATZVGWRVLSMSN-QFBILLFUSA-N 405.520 1.734 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774144315 BHRFJSCSWXVKEE-OALUTQOASA-N 423.510 1.031 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cnn(CC(F)F)c1 778912260 WFYZYOJDZWSSDH-INIZCTEOSA-N 412.418 1.928 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@H](O)c1ccc(C#N)cc1 780922374 VMHYIYKBQMUNCS-LJQANCHMSA-N 402.472 1.923 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)s1 780953312 WFFOWOIOZREMLM-INIZCTEOSA-N 400.460 1.574 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)n1 788694831 XTJFNSBZYHHDJM-UHFFFAOYSA-N 416.503 1.628 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)n1 788695146 GFOWWZQGFQGFGS-UHFFFAOYSA-N 424.910 1.965 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 790932388 DKUUAQBYHWPRGB-SDCCCIRJSA-N 423.473 1.256 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 792784862 MOSMUVFVNLFVFM-AWEZNQCLSA-N 407.883 1.333 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 795055798 CHQTVTOEDCLHIW-HKUYNNGSSA-N 413.522 1.096 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1=S 795658811 PZMXTEVKPXSRRZ-CQSZACIVSA-N 423.568 1.370 30 10 HDEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 804374206 GVSQGYFIZMVJAZ-MFKMUULPSA-N 405.398 1.293 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)cc1C#N 805540193 KMMMLDJVCXYMFS-UHFFFAOYSA-N 424.457 1.452 30 10 HDEE NS(=O)(=O)c1ccc(C=NNc2cnnc(O)c2Cl)cc1Br 807959718 YQUUSIJDQUFMIR-UHFFFAOYSA-N 406.649 1.692 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCC1(C#N)CCC1 809000591 RWUNDQIAALLMJD-UHFFFAOYSA-N 421.519 1.872 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)C2(c3ccc(F)cc3F)CCOCC2)c1 813982771 SBEATKLBACEMIV-UHFFFAOYSA-N 407.398 1.785 30 10 HDEE CCOC(=O)[C@@H](C)Sc1nnc(NN=Cc2cc(OC)c(OC)c(OC)c2)n1N 1083863548 RPFGZKCNLNPZCB-SNVBAGLBSA-N 424.483 1.507 30 10 HDEE C#C[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C1CCOCC1 1131469730 XFYDECRIFILSMW-AWEZNQCLSA-N 414.574 1.644 30 10 HDEE COc1ccccc1-c1nnc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)o1 1136040715 ACZKMIJPJVBBPV-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCCNS(=O)(=O)N(C)C)cc1C 1140212096 UEQJVPGPAZVQJZ-UHFFFAOYSA-N 418.523 1.206 30 10 HDEE C=CCC[C@H](NC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC 1140930248 QKAYTJDMGOGENA-GUYCJALGSA-N 404.385 1.632 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCC(N)=O)cc2)c1 1141655421 JKSZMUJXOXGRRN-UHFFFAOYSA-N 400.456 1.990 30 10 HDEE COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)c1cnn(CCC#N)c1C 1150845681 SPAWDNWTDWMHCA-UHFFFAOYSA-N 405.480 1.819 30 10 HDEE C=CCOC[C@@H](NC(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1155780010 WUPJPQOMNCEVQS-CQSZACIVSA-N 400.472 1.263 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1158986139 FKNSXXLJAAKPQA-WMZOPIPTSA-N 410.561 1.775 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(CN4CCOCC4)C3)CC2=O)cc1Cl 1159449388 WHROBDXMCRUSJA-MRXNPFEDSA-N 402.882 1.355 30 10 HDEE N#CC1(C(=O)N2CCC(n3nncc3I)CC2)CCOCC1 1166782137 YQZNVDGZHZMJLT-UHFFFAOYSA-N 415.235 1.367 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1174770702 FTPIFGSIDRUPLX-HDICACEKSA-N 405.520 1.829 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(I)c1)C1CCOCC1 1192788679 PLBDSSISQSZGLR-AWEZNQCLSA-N 405.257 1.998 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)c1 1194821644 NQDMJLOEIOQZCL-XGAFWQRZSA-N 400.500 1.973 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCC[C@@H]2Cc2ccccc2)CC1 1226600503 SORXJOZPSUBLPL-WOJBJXKFSA-N 418.563 1.583 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248376235 UNYBAYOFZFWXKE-WOJBJXKFSA-N 419.485 1.316 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1286438052 UZVUJRSNNORUJS-KNKQGSTJSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(F)c(COC)c2)CC1 1286481384 UYCBFQWAAJWNGC-GOSISDBHSA-N 413.497 1.871 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286605829 XIUHWDSTXHSJPD-UHFFFAOYSA-N 424.549 1.938 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1286607366 GMYZFUARDPLFRZ-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286671363 XJJKEQIIGNDJQU-UHFFFAOYSA-N 414.558 1.491 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1286715192 WLHSRUOKMPTBNM-OAHLLOKOSA-N 406.556 1.620 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)C(=O)NC 1286722492 YGRGEBIMOFCARE-UHFFFAOYSA-N 419.555 1.633 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1286764567 SVGYKLOVAASAIQ-IERDGZPVSA-N 412.494 1.536 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1286921228 AEPKNSQBXPEKMI-HNNXBMFYSA-N 413.482 1.282 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)C1CC1 1290845237 HIRLGEMXYVMCMX-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE CS(=O)(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1297920541 DKOAJTDUHIKEFX-UHFFFAOYSA-N 410.448 1.456 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1298076481 MSDZBIITBWASMS-MJGOQNOKSA-N 415.586 1.936 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nccc(N)n1 1298465151 GIMMQPNKIADJCI-OCCSQVGLSA-N 416.507 1.389 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1298583935 XOCAVZYNTJOJET-UHFFFAOYSA-N 422.493 1.829 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300373331 WKGOSDFWOTTXRY-UHFFFAOYSA-N 411.510 1.439 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Oc3cccc(Cl)c3Cl)C2)C1=O 1300419674 USANWIZVMZFLKN-UHFFFAOYSA-N 412.229 1.560 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(=O)(=O)CC 1300446688 PYXLUIGBWQAJTI-UHFFFAOYSA-N 411.915 1.616 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1300479301 KWSUMMFJKXTVMK-GASCZTMLSA-N 402.499 1.420 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300488948 XOPPCOUWKFKVLN-CQSZACIVSA-N 422.938 1.996 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1300603078 WYYGMBYIHFLOGR-CVEARBPZSA-N 419.555 1.430 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCC=C)CC1 1300706382 KZBIGBSRLYIHIW-UHFFFAOYSA-N 422.533 1.129 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@H](C)CCC)CC1 1301087170 WQGKEJJBVZNKEQ-SJORKVTESA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301502778 PGIIBAXVFIOTOO-KRWDZBQOSA-N 404.559 1.327 30 10 HDEE CC(C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302699809 HYIGICIKBQRWSX-MXLIYFDZSA-N 413.526 1.602 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1303559150 VQYDLHUVAIAOLB-INIZCTEOSA-N 404.511 1.746 30 10 HDEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)n1 1304474603 STXDQGIRUSRQAG-IBGZPJMESA-N 417.539 1.718 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 1313097716 QOTWWQJGWXOUFP-INIZCTEOSA-N 408.296 1.841 30 10 HDEE CN(C)CCOCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314672435 PIZCFPLNLFVDAI-HXUWFJFHSA-N 424.553 1.019 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCN1CCOCC1(C)C 1316103183 DQICYQKJBQMLEH-QGZVFWFLSA-N 406.531 1.607 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc(C(N)=O)o2)c1 1354741900 WRYUDRBINTUACS-QWRWPHRRSA-N 416.459 1.843 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1358872880 ZROKUXSTXBEHDL-HUUCEWRRSA-N 420.539 1.578 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358955009 CBNVWRPTUUOERN-GJZGRUSLSA-N 407.540 1.089 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1scnc1C 1359018275 KITMPFDCMPEXJM-UHFFFAOYSA-N 402.524 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC1 1359035732 CJFOSSWTEDTMDO-KRWDZBQOSA-N 407.584 1.762 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2cnccn2)CC1 1359054525 YNOIQMRMVOPULV-UHFFFAOYSA-N 408.535 1.767 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1snnc1C 1359281666 GVIIPIUHJUHJQF-CYBMUJFWSA-N 412.541 1.027 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1359298827 MWLPHZMHMQPVEQ-JYJNAYRXSA-N 404.515 1.173 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1359303178 GSDLYSIRZGUHEL-QIDMFYOTSA-N 409.534 1.963 30 10 HDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)CCCCC1 1441801543 URRFPBZTIBDSCR-INIZCTEOSA-N 418.581 1.174 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)CC[C@H]1C(=O)OC 1453545083 SRXKKQJVYYQMSP-KKUMJFAQSA-N 410.467 1.246 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1454242742 BNLVBGWDUXLSND-IBGZPJMESA-N 402.462 1.469 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1454679990 RJZXCDACTPIMBL-YJBOKZPZSA-N 410.565 1.526 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cccnc3N3C[C@H](OC)C[C@H]3C2)c1 1460620458 LRFUADMUCNWICE-VQTJNVASSA-N 419.485 1.821 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)s1 1465093337 OYENMKVSQJVERR-VXGBXAGGSA-N 408.567 1.035 30 10 HDEE COC[C@]1(C(=O)NCCc2ccc(C#N)cc2)CN(C(=O)OC(C)(C)C)CCO1 1470075142 SKFGVVJUSNSCMR-NRFANRHFSA-N 403.479 1.869 30 10 HDEE C=C(CNC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1470420116 LIXGIWBUYLAVKP-UHFFFAOYSA-N 411.466 1.176 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1470663784 ROSWEEHOVZBSPR-MUZJZNNISA-N 404.488 1.559 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1471524717 CGMVTUIWAWBRKC-QXEWZRGKSA-N 411.245 1.472 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccccc1OC 1472036647 XROJVSGIGYJHSH-XOBRGWDASA-N 414.487 1.454 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3cc(=O)n4ccccc4n3)ccc2c1=O 1472591644 CCBNNAZUDIQTFT-UHFFFAOYSA-N 419.466 1.809 30 10 HDEE C#C[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1473587313 IRZKCXNLMZWZEB-KSZLIROESA-N 419.547 1.768 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1473664490 ZLTKSBOJIONSLW-HDICACEKSA-N 405.520 1.829 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473824011 VDDLEDNRHFJBOE-GUXCAODWSA-N 416.503 1.201 30 10 HDEE C=CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1476000246 QXPZKQAUHMDYHR-AWEZNQCLSA-N 415.487 1.901 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2ccccc21 1478567962 MMMNUUFXAGQZRI-RTBURBONSA-N 417.469 1.546 30 10 HDEE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)cc1 1478956913 KEQTVLIWTJZPDV-QGZVFWFLSA-N 423.521 1.719 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1492589172 YPXKINXMUQUHJE-QZTJIDSGSA-N 408.506 1.821 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1498499833 BIVZYSYTMBCYPJ-CQSZACIVSA-N 407.482 1.370 30 10 HDEE CC[C@@H]1CCCCN1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1499462195 AROWFBJLQYZGOG-SJORKVTESA-N 403.531 1.410 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1503610978 CVTQZSJKSPTSRZ-NHYWBVRUSA-N 403.384 1.165 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(F)(F)CO1 1504886951 LFKISOQTCPGFJE-AWEZNQCLSA-N 412.441 1.191 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1507602213 YUQWYWKDSNBUHW-CQSZACIVSA-N 411.441 1.838 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1507623067 QMKXCISBGWTRDQ-HNNXBMFYSA-N 407.540 1.233 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507638235 PTLPRBAMGWERPF-GOSISDBHSA-N 423.583 1.173 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](F)COC)CC1 1507724968 ZCONMFLEXHVBDD-GOSISDBHSA-N 401.486 1.617 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(N3CCO[C@H](C)C3)nc2)CC1 1507730745 UTZNURRUIUNNFH-GOSISDBHSA-N 409.538 1.264 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507863067 BBVYJSVTNCODHS-IAGOWNOFSA-N 421.977 1.586 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1507936309 AYDJHJCMTFPHIK-UHFFFAOYSA-N 424.513 1.147 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507968153 PNFOOKURKOBPTI-HDMKZQKVSA-N 413.544 1.239 30 10 HDEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1508066530 AWWPXDUOULZNFI-LAUBAEHRSA-N 418.542 1.698 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1508146700 BDYBYKBOEFKKRS-INIZCTEOSA-N 418.567 1.634 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1512576454 GEHSDRXNAAYTAM-OPAMFIHVSA-N 419.489 1.826 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCCC1=O 1513913253 GJJXWHBHCCUOBE-UHFFFAOYSA-N 422.537 1.836 30 10 HDEE CCN(CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1515737864 XOMDGMZEOKVVDF-QGZVFWFLSA-N 401.540 1.847 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1517395894 MUIMYMBBPVNFSR-SFHVURJKSA-N 405.528 1.353 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1539004671 MIXCIGVVSOQZPC-HUUCEWRRSA-N 408.462 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1539014161 LFPHLROWRVISJW-GJZGRUSLSA-N 415.585 1.211 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539210697 FVBUIXPVUMFZDO-HZPDHXFCSA-N 403.508 1.392 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1539306343 WTUXMQKCNZUGPI-UHFFFAOYSA-N 422.514 1.315 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1539441221 MDSMETNVPIHUAJ-UHFFFAOYSA-N 401.518 1.834 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)C(=O)NC 1539596874 QIXOCRUMWNRQHV-DGCLKSJQSA-N 400.321 1.899 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC 1539669710 SKXDLRZDSLTIPK-HZPDHXFCSA-N 415.560 1.438 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cccn2)C1 1539918781 REBJQEGYRRPVQF-DLBZAZTESA-N 413.526 1.933 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1540861665 BBHHYTFCHXPXTC-KRWDZBQOSA-N 423.477 1.178 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@H]1C 1540862390 AOSLLDOWBBMDDV-UONOGXRCSA-N 418.523 1.272 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(C)(=O)=O 1541118671 FNGYLIQPPCYCGC-OAHLLOKOSA-N 400.508 1.922 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1541216809 SISGKSBNSOYFGU-HZPDHXFCSA-N 420.514 1.816 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1541988955 CRWMDNFURJWUSU-JXFKEZNVSA-N 414.514 1.476 30 10 HDEE Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1542982993 FLQLGKPTMGAEOX-CQSZACIVSA-N 405.466 1.862 30 10 HDEE CC(C)(C)S(=O)(=O)CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543678215 HKMYHZXOZVVKAQ-ZDUSSCGKSA-N 411.911 1.894 30 10 HDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1ccnn1C 1548369236 OYKAROHMTORVLM-INIZCTEOSA-N 420.395 1.388 30 10 HDEE CNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCC(C)C 1554484429 SBURPFOCXHBRBE-UHFFFAOYSA-N 415.498 1.908 30 10 HDEE CO[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1554667734 DJTXJLJGFZTWGP-GJZGRUSLSA-N 416.507 1.423 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(Cc2nncn2C)CC1 1558451557 FHGRZTSYTJLKTO-UHFFFAOYSA-N 406.494 1.760 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC(c4cc(C(=O)OC)n[nH]4)C3)n[nH]2)c1C 1558735185 CHVYKAMLVWMHDD-UHFFFAOYSA-N 409.450 1.825 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@H](O)[C@H](F)C2)cc1[N+](=O)[O-] 1558744530 JAORUZLWWHBGCR-ZBFHGGJFSA-N 417.397 1.925 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCc3nc(-c4ccc(F)cc4)no3)C2)c(=O)nc1O 1558805570 QYTRMFRUCXFFMG-UHFFFAOYSA-N 424.392 1.416 30 10 HDEE Cc1cc(C)c(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c(C)c1 1558805893 XUEXFYWNFUMYHX-HNNXBMFYSA-N 421.457 1.182 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1559056657 RFMOSMGMQVKTHC-GASCZTMLSA-N 400.483 1.675 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2Br)C1 1561913018 IPHYPJBCUVNUKR-CYBMUJFWSA-N 415.309 1.612 30 10 HDEE C#C[C@@H](NC(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])C1CCOCC1 1565106999 YYPPYUNUNXSIMC-OAHLLOKOSA-N 424.479 1.138 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)c2cccc(O)c2)c1 1566373717 BGAWWBAOAARTKS-UHFFFAOYSA-N 419.434 1.378 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 1569718058 RSKLZAXHIQOTDN-CYBMUJFWSA-N 422.890 1.898 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1585596928 RAOBZEAOYYEINB-UHFFFAOYSA-N 407.471 1.449 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1587823397 PKOWFEXMJBPREC-MRXNPFEDSA-N 415.519 1.464 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587958888 VXJDFWKNFGAXSB-CQSZACIVSA-N 417.491 1.025 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1588074009 HCJDQVBRTVLMCS-INIZCTEOSA-N 410.540 1.258 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1588079079 QXZCVPTYBYGICN-CQSZACIVSA-N 400.389 1.422 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)CC1 1588806509 TZXWJMJLYASRNZ-MRXNPFEDSA-N 411.510 1.318 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnnn1CC1CC1 1589663782 QZUOVEZYSMQASS-OAHLLOKOSA-N 420.543 1.027 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1595421804 YNMVHYZAVYVMNS-UHFFFAOYSA-N 410.569 1.680 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2CCCC[C@@H]2C1 1595496578 AKHRFKXSGVYZMJ-GOSISDBHSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)O[C@H](C)C1 1595506900 POBASEQTXKJGSL-HUUCEWRRSA-N 415.494 1.878 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@](C)(C(N)=O)C1 1595570121 YCPYPFAUOQGBFY-QFIPXVFZSA-N 421.505 1.285 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CC=CCC2)C1 1595680368 JGIGHGAWKJQWCV-UGKGYDQZSA-N 417.554 1.973 30 10 HDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1596428356 FARUJBNNXXACAM-WHEQGISXSA-N 423.473 1.980 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1596831460 NXSHNFFSAJXHQW-OAGGEKHMSA-N 423.539 1.319 30 10 HDEE CC(C)=CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1597894679 YHXOVUPRLLXNOT-WMZOPIPTSA-N 418.567 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2=O)C1 1603255883 ZSFRRIROSVACOM-BOLFOIPXSA-N 402.495 1.653 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)on1 1612647574 HOFNKOPHYWFYNN-UHFFFAOYSA-N 407.434 1.400 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@H](C)C1 1612800607 GSPGJDRWVVLLGD-ROUUACIJSA-N 417.558 1.657 30 10 HDEE CC[C@@H]1CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1614164579 REONREQICWULPF-RMYFCYLKSA-N 408.466 1.640 30 10 HDEE CN1CCN(C(=O)CC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1616014161 VSWJPPVALFHTBL-UHFFFAOYSA-N 422.529 1.162 30 10 HDEE Cc1ccc(C(=O)NCC(C)(C)NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1616322974 LHLUAEJANSAUMM-UHFFFAOYSA-N 410.345 1.352 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)co1 1617078462 AYMTZCDMRYBZDF-UHFFFAOYSA-N 400.420 1.294 30 10 HDEE COCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1619776879 NEXWAQNWVFXYCP-XOBRGWDASA-N 421.448 1.663 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H]1F 1620308807 HRZRDXCEBJWPCK-DOMZBBRYSA-N 422.411 1.904 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1620451036 NVEDROMATXPUKR-UHFFFAOYSA-N 419.547 1.650 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCCC2)c(=O)nc1O 1624663939 ACYHLXSRGFZCRY-QGZVFWFLSA-N 415.881 1.817 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1)C(=O)OC 1626204513 GNMSXJKSTLOVHD-IRXDYDNUSA-N 403.435 1.045 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)Cc2c(C)cc(C#N)cc2C)c1 1627494717 IKHYCRMADZXNRV-UHFFFAOYSA-N 414.487 1.381 30 10 HDEE C#CCSCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1629584701 NWMCCUOLOCEELD-AWEZNQCLSA-N 416.590 1.770 30 10 HDEE CC1(C)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H](CO)O1 1630381136 BOBUFVPBKOOWQJ-OAHLLOKOSA-N 408.296 1.755 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCC(CO)CC2)cc1 1630386265 QSXODZAGJHVHRX-DYTRJAOYSA-N 408.524 1.142 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1 1630830976 WDURIOQNWBSZJP-JTQLQIEISA-N 416.253 1.202 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@]2(C1)NC(=O)NC2=O 1634534961 OVYKXJLVANMWCZ-APPDUMDISA-N 400.863 1.223 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1635083225 VBHPLLUFPIXZSR-MRXNPFEDSA-N 407.515 1.693 30 10 HDEE N#Cc1cn(CCC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2)c(=O)nc1O 1635240295 GPLAQQAIKBXTSF-FQEVSTJZSA-N 418.453 1.973 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1637514401 SWSUQXWQBLSLOY-UHFFFAOYSA-N 411.418 1.865 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccnc(OCCN(C)C)c2)c1 1637665413 DXGFNFIMKDQMIQ-UHFFFAOYSA-N 415.515 1.749 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCS(=O)(=O)CC(F)(F)F 1640014605 RLTHLLHIJYDMLW-UHFFFAOYSA-N 405.398 1.760 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(Br)c2C)CC1 1643372229 BPVVKNAYHOCVEH-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE Cn1c(O)nnc1CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1643832301 DINWHLYUPASUOC-MRXNPFEDSA-N 412.450 1.543 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CCO[C@@](C)(C#N)C1)N2C(=O)OC(C)(C)C 1645722041 NZMSFXDMYUWNGC-MOMPZSSISA-N 407.467 1.315 30 10 HDEE N#Cc1cncc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1645989458 BSKWDMSWGZVQCV-UHFFFAOYSA-N 416.459 1.099 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCCCC3)c2)CC1 1646157438 QZGCIITVFOBQOO-UHFFFAOYSA-N 420.531 1.860 30 10 HDEE Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1646439694 ONMKHJQUFJDABF-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)n1-c1ccc(C#N)cc1 1652521362 OTPCVLVNBLYILV-UWJYYQICSA-N 408.483 1.976 30 10 HDEE Cc1nn(C)c(Sc2ccccc2)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653759572 CRMXYQNUGKWXMK-UHFFFAOYSA-N 422.470 1.711 30 10 HDEE O=C(CSCC(=O)N1CCCCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811881 QKZLGLQPKMHGTD-UHFFFAOYSA-N 419.503 1.636 30 10 HDEE N#Cc1cc2c(n(CC(=O)N[C@@H]3CCSC3=O)c1=O)CCN(Cc1ccccc1)C2 1656748069 PFTBWXACSMPVPN-GOSISDBHSA-N 422.510 1.427 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(OC)ccc2Br)CC1 1663319316 ARGGNPZPBJXVAN-UHFFFAOYSA-N 417.281 1.925 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1663413821 JGOZNBCTEPSWSC-HNNXBMFYSA-N 403.545 1.581 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCCO1 1663479165 XBPDYHHIPUQGSK-GBESFXJTSA-N 406.504 1.745 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OCC)ccc1OC 1670201093 XIBIBRUXGONTBF-UHFFFAOYSA-N 411.476 1.838 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1671150733 PQVZGEZETLDRGW-JTQLQIEISA-N 405.274 1.106 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1677791338 MKQGUGJOUDWMSJ-MSOLQXFVSA-N 405.520 1.699 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 1680910037 RTDBGIKVYRBSML-MRXNPFEDSA-N 413.927 1.845 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1681228083 WAZFKWPZKRXDDY-COXVUDFISA-N 413.478 1.872 30 10 HDEE C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1682087497 AIQURAXGCNELFB-HLLBOEOZSA-N 406.508 1.388 30 10 HDEE C=CCONC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1686482671 CWUHAUXJECLYEG-CVEARBPZSA-N 423.514 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1686854995 NBJQEKBZZPMCLK-BBWFWOEESA-N 419.526 1.932 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1689973929 VWHPPCOZKJVHHV-UHFFFAOYSA-N 402.480 1.181 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1690019597 MVBRFPYBEUWAHY-GCJKJVERSA-N 405.458 1.342 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1690244127 UAKDLSJIYLNDRB-JZXOWHBKSA-N 417.535 1.945 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690361054 FWAUJBKZRYXSQD-LJQANCHMSA-N 415.586 1.697 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CC1 1690375866 VVUIRAKGUALHHW-QZTJIDSGSA-N 423.583 1.183 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1690700909 ZLHZAXIEPZTHEP-QZTJIDSGSA-N 424.567 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2CCS(C)(=O)=O)C1 1690711842 JHUDKGDLBKRHFI-GOSISDBHSA-N 420.535 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690720484 KNLUNTGXQBULBD-IYBDPMFKSA-N 424.910 1.761 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCSC[C@H]2C)n1Cc1ccc(C#N)o1 1692808149 YADAGNAFSUADMH-NEPJUHHUSA-N 410.525 1.343 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1693188820 AECVWROQLKRTMP-MRXNPFEDSA-N 411.363 1.769 30 10 HDEE CCOCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC(=O)NC 1696319593 GHUQOWMZSBMTBO-UHFFFAOYSA-N 411.510 1.539 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1696891034 OHHPHBXSTJOCNB-UHFFFAOYSA-N 421.505 1.400 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705476665 CQJIZFOYJZIGRG-SPCJURDBSA-N 409.556 1.287 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1705500502 ONJXCRGUAQXKHS-KRWDZBQOSA-N 423.521 1.138 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705538288 ILZGXKFJUADYRL-QGZVFWFLSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1705547955 VSZWFJKFNZEJLS-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705602799 CPUVZTGFJAZPEE-OAHLLOKOSA-N 412.460 1.858 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1705611380 AYUGRYVRQYTGSE-OAHLLOKOSA-N 400.483 1.186 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1705637851 OJOQYEDFOGDAQJ-ICSRJNTNSA-N 409.538 1.942 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(C)(C)COC)CC1 1705638336 HDNKEALBUGSAMX-KRWDZBQOSA-N 402.543 1.437 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1705729803 YYILEZRXNDUPGH-CRAIPNDOSA-N 400.545 1.764 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705741598 UMVKJXHAAUZQHH-QGZVFWFLSA-N 415.498 1.309 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705752641 BWBKTJYSLMOLBK-OAHLLOKOSA-N 421.933 1.710 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705811139 SJKWGFJXNPYKEF-GDBMZVCRSA-N 412.560 1.159 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCOC[C@@H]1OC 1708728526 AHGOGBBIDCORED-IIMJZQEZSA-N 422.505 1.690 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1710913591 QWAWAKVRECDMOZ-XBBWARJSSA-N 418.523 1.904 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1722285787 ZHYMFNIQMNQIBV-LBPRGKRZSA-N 409.416 1.926 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722315249 KBXDJROYNYUJBX-MSOLQXFVSA-N 422.537 1.928 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722365183 CJSDJVQENFJNBA-CHAGWJKLSA-N 424.592 1.474 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1722366342 RAOHNWCDURJQPG-UONOGXRCSA-N 422.580 1.881 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722369122 YSKAMVJZSARCSX-SJLPKXTDSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1722370166 IDEFLEURCGHZIE-JPYJTQIMSA-N 421.501 1.760 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1COc2ccccc2O1 1722374007 PQUUOFRUXYQCMV-MSOLQXFVSA-N 410.474 1.915 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCO1 1722423007 WJOFHBBTOSXAPG-NQIIRXRSSA-N 406.527 1.974 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1722423835 QSCUUTIADTYBQB-UHFFFAOYSA-N 418.457 1.812 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@H](C)C1 1722429306 PNHVYBXNNYPYAO-FGTMMUONSA-N 424.567 1.471 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1722458597 OEHZZKIZKYSDCR-HNNXBMFYSA-N 404.540 1.044 30 10 HDEE C#CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1722463583 GUEOPXFXSLDQAA-UXHICEINSA-N 419.551 1.013 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722620859 VLVUTENLQCWCFT-QGZVFWFLSA-N 416.526 1.194 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCOC1 1722673870 HIPFQIGGPPVVKT-INIZCTEOSA-N 400.483 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722693439 NXVSPGCUSMHTOD-AWEZNQCLSA-N 416.913 1.993 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)n1 1724493240 NTAZIPUHMCWJKR-INIZCTEOSA-N 412.475 1.785 30 10 HDEE CCc1nnc(N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)n1Cc1ccc(C#N)o1 1727600576 HNEKMEZCKLQIAA-HXUWFJFHSA-N 419.489 1.702 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1729830818 QBZAYQLADNWLDQ-YWZLYKJASA-N 415.519 1.867 30 10 HDEE COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730769508 BYWXCEKIZRBVDX-KSZLIROESA-N 415.519 1.570 30 10 HDEE C#CCO[C@H](C)C(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1739185374 VRRCKYWIIBUAOD-XPFKWROGSA-N 400.450 1.520 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCNS(=O)(=O)CC 1740651857 MYYRRVWKXWXEBU-UHFFFAOYSA-N 402.524 1.076 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)NC(C)C)CC1 1740699447 HMGRXEBVMJJNMJ-UHFFFAOYSA-N 424.549 1.754 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1740836419 PCDQZZQDYREMLH-CZAAIQMYSA-N 406.527 1.873 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1740869038 ZFAONYRFYZDBQU-IRXDYDNUSA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1740964923 JNXZJFQLOLTRLX-UHFFFAOYSA-N 408.510 1.471 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740999607 KPHJESTVPQWKDI-OAHLLOKOSA-N 424.596 1.721 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1741123464 CRWVSHNYAMPPBG-QGZVFWFLSA-N 423.521 1.816 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@@H](C)OC)CCN2C1=O 1746339942 PNNPNCMNMFNJRC-RHSMWYFYSA-N 423.477 1.324 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1748803522 ZYHRYDIJUWGTRN-HNNXBMFYSA-N 409.556 1.191 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1 1749055393 IWVORAZWJTVFEK-QIJUGHKUSA-N 417.554 1.643 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749131033 PPCVVWJORDZOGI-OWYHZJEWSA-N 403.527 1.820 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1749241953 XPUQMZMYCIZYDK-UHFFFAOYSA-N 418.586 1.913 30 10 HDEE C=CCCCn1c([C@H](C)CC)nnc1N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 1749413315 TVCUTJZIGHXCER-OAHLLOKOSA-N 416.530 1.224 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC)C1CC1 1749510427 GWEIQQOSZNWMPB-UHFFFAOYSA-N 417.535 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1749658952 ZMJHKUFTCQQUPZ-IYBDPMFKSA-N 421.509 1.705 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCC[C@H]2C)C1 1749713091 OJFSFQSQEVJZFR-WOCWXWTJSA-N 424.567 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749714897 ONRTUPMFIMOBKY-ZWKOTPCHSA-N 417.535 1.480 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1 1749740184 AHIKDJKCGZOCDA-OAHLLOKOSA-N 418.523 1.696 30 10 HDEE CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1749888138 DWKVHRKLVBJRRY-UHFFFAOYSA-N 413.570 1.915 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCOC2)CCO1 1750388217 LYOUWEKCPXNZKE-YJYMSZOUSA-N 405.405 1.027 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCCC2)CCOCC1 1750757042 BDWLKGXWDKWAIP-GOSISDBHSA-N 402.543 1.850 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2=CCCOC2)CCOC1 1751025666 GHMSPISTZNPXLD-PXNSSMCTSA-N 403.483 1.394 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1751219014 LFSKHOHLFJGLIV-UGSOOPFHSA-N 420.495 1.018 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1760247594 HRQSTAOVZQFHBP-UHFFFAOYSA-N 416.507 1.062 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760345912 ZBBUAJQMBJSBFO-WMZOPIPTSA-N 402.543 1.885 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1760351250 FNPBPNCIJQGEKQ-UHFFFAOYSA-N 420.558 1.310 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760473716 DEZSGDVJVLJDHU-INIZCTEOSA-N 410.540 1.614 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@](C)(C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1760528841 OMMKRHJXDTWFQT-QFIPXVFZSA-N 422.533 1.752 30 10 HDEE CC(C)c1nnc(N2CCN(CC(F)F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760935406 WKUHLHDEFWUZIO-FBMGVBCBSA-N 423.468 1.315 30 10 HDEE CC1=CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1762179542 SWUZKKCFIAQNLV-OSCRUYLVSA-N 412.494 1.855 30 10 HDEE CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1764016121 UJVVCTUAYASESU-RDJZCZTQSA-N 406.556 1.547 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1769267794 UPTJTRUCXDXFOT-UKRRQHHQSA-N 409.487 1.929 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1770943486 HEGATALJMCBIRF-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(CCC#N)CC3)C2)cc1 1850474192 XMZRQLPDMVROQX-QGZVFWFLSA-N 420.535 1.154 30 10 HDEE CC[C@@H]1Oc2ccc(Cl)cc2N(CC(=O)NCC#CCN2CCOCC2)C1=O 1850591574 XZRVIUMKQMBHSH-KRWDZBQOSA-N 405.882 1.296 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3nnnn3-c3ccccc3)CC1)OCO2 1851438173 QVDNPRINZHRGCI-UHFFFAOYSA-N 417.429 1.154 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(Cc3nc(C4CC4)no3)C2)CC1=O 1853679516 LZCIKKUERZNWEM-WBVHZDCISA-N 401.511 1.794 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2snnc2CCC)C1=O 1853682222 JUAGHUBQXIMETJ-HUUCEWRRSA-N 405.524 1.341 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C)c(C#N)c2)C(=O)C1 1853950967 ZRPFKSHUUHSEJN-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1=O 1854319741 DENWIBZTWDNLQF-GOSISDBHSA-N 401.507 1.915 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCCc2ccccc2)C(=O)C12CCCC2 1854402112 YBVBJGRBOIQQOI-UHFFFAOYSA-N 403.504 1.846 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@@H]2CCOC2)CCN1S(=O)(=O)c1ccccc1C#N 1854459431 BNGNFRBPPUMUPE-AWEZNQCLSA-N 405.476 1.123 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2c(F)cccc2Cl)CCN1S(=O)(=O)CC#N 1854722319 KETSUAKDFCNMMU-NSHDSACASA-N 401.847 1.324 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[C@@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1855427731 VDPXFUWZFCRYRT-VQIMIIECSA-N 417.531 1.897 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cn2cccn2)CC1 1855589319 VIBSHJKYLKWIKA-UHFFFAOYSA-N 414.487 1.730 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCC[C@H](N4CCC(CC#N)CC4)C3=O)C2)no1 1856538352 HBFQERFXNHAZFD-SFHVURJKSA-N 413.478 1.198 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2nccc(N3CCOCC3)n2)C(=O)C1(C)C 1856745482 DPALWDJCIOHVJS-HNNXBMFYSA-N 400.483 1.068 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)CN3C(=O)COc4ccccc43)C2)CC1 1857218111 WZULZHCZIRESAD-KRWDZBQOSA-N 410.474 1.413 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)cc2OC)C1)[C@@H]1CCN(C)C1=O 1857264913 QAZLVYCHPZTHBX-MAUKXSAKSA-N 415.490 1.411 30 10 HDEE C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O 1857388198 GZXSVTGDJHINKS-OAHLLOKOSA-N 407.426 1.925 30 10 HDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868783914 ULKWKNMRKPEONQ-BQFCYCMXSA-N 418.563 1.760 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(N(C)C)cc1 1874432813 YSMSWGXRILEGOL-SSDVNMTOSA-N 417.539 1.481 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cn(C[C@H]3CCOC3)nn2)c1 1890238974 HHEMNOZYUADBHY-GOSISDBHSA-N 411.506 1.973 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)cc1F 1891234319 NRSGMVAORSEMQY-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE C[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@H](C)C1=NO 2029311327 KBCUOUWDKHZRQC-KBPBESRZSA-N 407.492 1.811 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)CCOCC1 2118168600 SSVCIFJHLQHGIL-FGTMMUONSA-N 419.503 1.636 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)CC2(C#N)CCOCC2)s[nH]1 2187515997 SELYWBVHWUJAMM-UHFFFAOYSA-N 417.513 1.047 30 10 HDEE COCC[C@H](CNS(=O)(=O)c1cccc(F)c1C#N)NC(=O)OC(C)(C)C 2233900826 ULKUHHSKORUPOG-GFCCVEGCSA-N 401.460 1.905 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2241158457 SOVADTWSADENRO-VIFPVBQESA-N 404.681 1.337 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243428204 IEIAZEQICBESJG-HUUCEWRRSA-N 408.304 1.355 30 10 HDEE C#CC1(N(C)C)CN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 2245493778 HDGADNUNENNYEM-IBGZPJMESA-N 414.550 1.788 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819619 INAIZCMKERUICT-UHFFFAOYSA-N 420.319 1.910 30 10 HDEE CC(C)(C)OC(=O)NCC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2247825616 GYVDPOLQGFNOKF-UHFFFAOYSA-N 420.319 1.744 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)C(=O)OC(C)(C)C 2247838051 BVUCDDIJGYVGBQ-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258182307 ZQCXARHEOBHBGV-DOTOQJQBSA-N 408.476 1.431 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCc3nncs3)c2)OC1(C)C 2267374195 NZSNGOQGNCAHNJ-UHFFFAOYSA-N 401.344 1.420 30 10 HDEE C#CCN(C1CCCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270507061 FBCLNHANYVIAIK-GOSISDBHSA-N 422.503 1.964 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(OCC(N)=O)C3)c2Cl)OC1(C)C 2281949993 PYFNZAFVTBMUJZ-UHFFFAOYSA-N 400.693 1.027 30 10 HDEE CCN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2281996557 PXQLHVYSFGBZTJ-NSHDSACASA-N 402.347 1.338 30 10 HDEE C[C@H]1C[C@@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331892 SWFDPZIDHPQZGA-STQMWFEESA-N 401.359 1.829 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C1CNC1 2282490940 JTTZMLWTCNBIPU-NSHDSACASA-N 400.737 1.525 30 10 HDEE CN1CC[C@@](C)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282495631 OWRAVKLORYFQEH-KRWDZBQOSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@](C)(N)C2CCC2)OC1(C)C 2282497727 UKYXKVMVLQAJLK-QGZVFWFLSA-N 400.375 1.843 30 10 HDEE CS[C@H]1CC[C@H]1NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282501167 TXTJAPOLRYIOBB-NEPJUHHUSA-N 401.363 1.200 30 10 HDEE C[C@@H](CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2282524113 AGGMEGLMHHJGEQ-JTQLQIEISA-N 402.709 1.046 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](C)CCS(C)(=O)=O 2282579903 LNILTRQIARIPBB-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CN(C[C@H]1CCCS1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831790 DXEBOHCCFZMCKS-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC[C@@H](COC)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843208 JXIAWELXTGSIIU-LBPRGKRZSA-N 404.363 1.629 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@](F)(CO)C2)OC1(C)C 2282882737 PYXZZLOEIVKMSL-INIZCTEOSA-N 405.322 1.283 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2296616797 JYYCJINTVBPUDE-GOSISDBHSA-N 411.462 1.175 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1 2309774652 RRAVLWBTTLOOAS-VSZNYVQBSA-N 404.492 1.466 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2csc(I)c2)CCC1 2342098394 VDGFDECJAXYVBS-JTQLQIEISA-N 410.302 1.828 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@@H](O)c1nn(C)cc1I 2361388677 QCDVECSPPBRKNM-DGCLKSJQSA-N 405.305 1.935 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]3(C)CNCC3(F)F)c2)OC1(C)C 2361532086 FZMPPRORKXCFAP-CQSZACIVSA-N 408.301 1.323 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172214 VYJOUXYQBBEVGM-AUUYWEPGSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCCC2 2365202844 GNGVPAPKUSSRFD-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2365206868 JUNFQRGANHXPBT-TYILLQQXSA-N 402.557 1.455 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)CC12CCOCC2 2365244152 AYXUIGLYVIPWBM-GOSISDBHSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367820550 RMGPTNKUSUXZIO-KKUMJFAQSA-N 400.541 1.291 30 10 HDEE C=CCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 4600962 LABWIIOKNIETLU-JOCHJYFZSA-N 406.442 1.688 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)c(OC)c1 30585263 MXCYDLDENBEDNI-UHFFFAOYSA-N 422.489 1.897 30 10 HDEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)C(C)C)CC1 36211639 YCYMCARPRQQLFX-IBGZPJMESA-N 415.490 1.711 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 43834223 DUQNVUFAAFIHSO-AWEZNQCLSA-N 406.446 1.786 30 10 HDEE C=CCOc1ccccc1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OCC(C)C 66229022 RQWZFLVUYKYTCO-QGZVFWFLSA-N 403.479 1.580 30 10 HDEE COc1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 263630369 XQGWVCXBGDYSHD-KBPBESRZSA-N 412.489 1.552 30 10 HDEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 409503841 ZIBQSKQLHMBDJJ-PWIZWCRZSA-N 421.567 1.392 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccccc1Br)n1cnc(C#N)n1 409890633 YMSLSTDYOLWMAA-IINYFYTJSA-N 403.240 1.173 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(c2cnccn2)CC1 460958236 MNXMYZKCHAXWGZ-UHFFFAOYSA-N 410.526 1.985 30 10 HDEE CN1C(=O)N(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)C12CCCCC2 461290359 IMOMATSCADDISF-UHFFFAOYSA-N 407.434 1.674 30 10 HDEE COc1cc(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)ncn1 461352054 KARJDDFEINWIAG-KRWDZBQOSA-N 424.505 1.951 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 463901875 MEHIYDODJVSNPC-GOEBONIOSA-N 421.519 1.805 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOc1ccc(F)cc1F 464904882 AWFWGSNLLRWJAC-ZDUSSCGKSA-N 402.405 1.926 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465492925 GVGTXJQMXMFYPM-MAUKXSAKSA-N 407.478 1.235 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)C1=O 468760388 AJYLMTGSIWFRPL-MRXNPFEDSA-N 404.430 1.868 30 10 HDEE CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)n1 471300948 QREIROXORCRYOJ-UHFFFAOYSA-N 401.492 1.562 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472213593 PMHWDCSPONPVLB-UHFFFAOYSA-N 417.491 1.206 30 10 HDEE Cc1nc(C(=O)NCCOc2ccc(C#N)cc2)nn1-c1n[nH]c(C(F)(F)F)n1 475016076 KAYHXBRBDYFQSW-UHFFFAOYSA-N 406.328 1.393 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cnn(-c3ccccc3)c2)CC1 475367708 KUQHMGBSVCGXQN-VQTJNVASSA-N 408.506 1.358 30 10 HDEE CCn1nccc1CN(CCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 482900636 BRHYTHGRVWRZJP-SFHVURJKSA-N 416.551 1.168 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n[nH]1 487279755 PTVROYFJGLXBOP-CQSZACIVSA-N 416.507 1.237 30 10 HDEE COC(=O)c1ccccc1CC1CCN(S(=O)(=O)N2CCO[C@@H](C#N)C2)CC1 490052187 GAYYRJZBWLPFIP-KRWDZBQOSA-N 407.492 1.197 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(O)nc2)CC1 492238980 HLZGPHGZKRKMOQ-UHFFFAOYSA-N 400.460 1.125 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 503036386 XGYPFQYLJVZJOJ-FQEVSTJZSA-N 412.450 1.584 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2cccc(F)c2C1 513080834 OPZTXEJQIDYXBY-CYBMUJFWSA-N 403.435 1.785 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 517696159 XQTBOOCVEICGCC-SFHVURJKSA-N 403.504 1.334 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)Cc2ccc(C(=O)O)o2)nc1C 526899019 XPSBZWXTYZMZIA-HHHXNRCGSA-N 412.445 1.973 30 10 HDEE Cc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cnn1CCO[C@H]1CCCCO1 533923152 ZVMVWKFLBGEUMP-FQEVSTJZSA-N 424.505 1.964 30 10 HDEE CC(C)CSCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 534465770 UBPCIHOKCBTISW-UHFFFAOYSA-N 410.565 1.963 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 537152878 XCWQPOQYBICKNJ-MRXNPFEDSA-N 400.508 1.550 30 10 HDEE CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196308 BJAYONMKCPJLBH-INIZCTEOSA-N 413.503 1.747 30 10 HDEE COc1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc(C(=O)O)c1OC 546268039 KUXSBTSCZXXCOD-UHFFFAOYSA-N 406.416 1.631 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(F)c(C#N)c2)CC3)CC1 560733028 OQFCOPIDNCAGKI-OAHLLOKOSA-N 424.480 1.274 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN[C@H](CO)c2cccc(Br)c2)nc1 564124131 NMTAHSDYCBHIDA-OAHLLOKOSA-N 410.293 1.813 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 566809639 SGGPWELMEFIUDJ-NRFANRHFSA-N 405.462 1.886 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 569829764 NFDFHTKXLPVGFX-HOTGVXAUSA-N 403.508 1.809 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)OC)Cc2ccccc2)c1 604125598 QQNHRQJDTNDPFV-UHFFFAOYSA-N 402.472 1.966 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)CC1 604197400 OINQPMIOTNOXTJ-SFHVURJKSA-N 401.555 1.745 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727418474 RIBNRMHKVMTZRX-UHFFFAOYSA-N 422.510 1.416 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)C2=COCCC2)CC1 730849600 FYCPCJYYHFAYDB-UHFFFAOYSA-N 412.402 1.692 30 10 HDEE C#CCN(CC(=O)NC1CCN(Cc2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 731213836 VHWBDMXWFXMRIG-NRFANRHFSA-N 417.575 1.198 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 746247734 OGRDTMZWYRMUAQ-JTKIUVGSSA-N 418.444 1.962 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 749312827 FTYYBCJMRKHGLJ-HNNXBMFYSA-N 423.491 1.915 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@H](C)CC)CC1 749550492 KGQPNPPRNYMDEG-NFBKMPQASA-N 411.594 1.700 30 10 HDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774151613 AKAGFABQNNYFJU-GOSISDBHSA-N 403.504 1.123 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC(F)(F)C[C@H]2CO)cc1 782022233 UBPGCYGDKCBUEE-SYPKWCCASA-N 416.450 1.733 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)n1 788814580 QUCGVBLVXIMEFF-QZTJIDSGSA-N 400.479 1.057 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(S)nnc2-c2cccs2)n1 790104591 RUXVJGBWMGZTOX-UHFFFAOYSA-N 416.532 1.800 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C(F)(F)C3CCOCC3)CC2)cc1 790225583 REQBNBPDELFDLX-UHFFFAOYSA-N 413.446 1.453 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCCN1CCN(c2ncccn2)CC1 804893402 BGLAEYVMMXUBJK-OAQYLSRUSA-N 406.534 1.923 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 805129797 SNZNVHJRJQPNBO-QAPCUYQASA-N 414.528 1.179 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 805783402 XHIFELUMMXGLCB-SFHVURJKSA-N 420.531 1.773 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCC1)C(F)(F)F 810662038 YBGOWLJMXIQORI-SNVBAGLBSA-N 413.418 1.972 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1CC(C)C 812211095 QDFIFHZFPFWZKI-UHFFFAOYSA-N 418.545 1.965 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)n1 856586364 GOVKRQPXQBUJOI-KRWDZBQOSA-N 410.883 1.915 30 10 HDEE COCCNC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C 914539661 FYZAVKBQHMDVHN-INIZCTEOSA-N 418.519 1.358 30 10 HDEE COC(=O)[C@H](COC(C)C)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1127115993 XXFJYWUFHWEZDL-KRWDZBQOSA-N 410.492 1.803 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1136040856 FYZIDIFHGICTCQ-OAQYLSRUSA-N 415.494 1.628 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(CCCF)CC3)C2=O)cc1 1142963379 HLZXWNAGKMOMSY-KRWDZBQOSA-N 401.442 1.267 30 10 HDEE COCCOCCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1144291790 RHYWSJMVUFDVDR-UHFFFAOYSA-N 410.312 1.670 30 10 HDEE CC1CCN(C[C@H](C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1147288140 RXHWRHMLEMAWIH-QFBILLFUSA-N 411.506 2.000 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](c4ncccn4)C3)C2=O)cc1 1155617972 HOSPDOZSYQGKSP-WMZOPIPTSA-N 418.457 1.959 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)cc2n1 1156690538 OLQKOPQTHLKFLK-LJQANCHMSA-N 423.448 1.903 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1170442750 HYTDEGMJRZMSPE-KRWDZBQOSA-N 401.492 1.582 30 10 HDEE C#CCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)CCCCC1 1179121790 AWSVRKSBSJMFAK-UHFFFAOYSA-N 402.480 1.923 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1179405285 OSDOUPIBKAEBFS-MGPUTAFESA-N 424.482 1.697 30 10 HDEE C[C@H](C#N)N(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1192254001 BCSVHHRYAHDUBB-SECBINFHSA-N 407.311 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2cc(O)n3ncc(C#N)c3n2)[C@H](C(F)F)C1 1194883882 RXBJUPOJYKRIEF-ZDUSSCGKSA-N 408.409 1.993 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(OCC(=O)OC)c2ncccc12 1201927753 NLXHQSVQNDYDPK-UHFFFAOYSA-N 407.448 1.509 30 10 HDEE C=CC[C@H](CO)CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1210542562 BCIBOSCKUAMJTQ-AWEZNQCLSA-N 422.530 1.658 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)nn1 1214968158 SPUJMHAVUFPKEK-UHFFFAOYSA-N 413.482 1.182 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1 1254607005 BGOFNKNZDIIQJP-IBGZPJMESA-N 402.495 1.790 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286396578 WFLLZPJFDJRFAW-DLBZAZTESA-N 424.567 1.471 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1286432952 DTQFNFZJBROLAJ-GOSISDBHSA-N 403.575 1.149 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCO[C@H]1C 1286467244 SAQGJBAZUVAQKF-HRAATJIYSA-N 402.470 1.634 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1=CCCOC1 1286468733 HRCNYMNXUJZAPT-UHFFFAOYSA-N 415.519 1.702 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(O)c2)CC1 1286481570 FVFWUSLHBOTRDG-UHFFFAOYSA-N 418.501 1.782 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC1(O)CCN(C(C)C)CC1 1286522039 IFJTWEYKESPBBS-OAQYLSRUSA-N 409.538 1.963 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1286581255 HGIOWAMPKRZHMM-CVEARBPZSA-N 411.572 1.887 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1286672847 QTWOVLRXTIURLY-MRXNPFEDSA-N 423.583 1.745 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccnn2)CC1 1286712844 MECWWLODBHVGLH-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H]2COC(=O)[C@H]2C1 1287495885 CNFFEBKFEYDOFW-RYUDHWBXSA-N 409.236 1.730 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@]12COCCN1C(=O)OC2 1288026063 NWQWTUNPUFUNDI-INIZCTEOSA-N 410.224 1.037 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1288167512 DARWGWVGIAGDJX-KDOFPFPSSA-N 404.496 1.114 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1288278475 YUPPFZSMBSFOGS-MRXNPFEDSA-N 410.544 1.587 30 10 HDEE CCCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1snc(C)c1C#N 1289084543 ZPPGPLTZCKGJGR-UHFFFAOYSA-N 424.504 1.994 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C1CCN(C)CC1 1289195248 GJIVLOYQKBZZCZ-UHFFFAOYSA-N 406.552 1.369 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@H](C)O1 1291225082 KHPXQAQPKOATFT-GJZGRUSLSA-N 420.477 1.583 30 10 HDEE C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCOCC1 1292185134 DWRAEIQHQUGLEB-ILOCAZANSA-N 403.523 1.509 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1300274685 YMQJJXGJNYUMMJ-TUAOUCFPSA-N 411.450 1.314 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@](C)(O)CCOC 1300530004 UVPBWGWWRMOLBL-QHCPKHFHSA-N 418.501 1.991 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300532060 LSRQUDDTPKNECU-MRXNPFEDSA-N 422.880 1.241 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(N)=O)cc2)CC1 1300728836 GVSIFFHBWURVNG-UHFFFAOYSA-N 420.517 1.344 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CCOC)c1 1300778705 FMEUREKZCMLZEY-OAQYLSRUSA-N 411.510 1.397 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3occc3[C@@H]2C(=O)OCC)c1 1300829317 VKTNZVQQERCGTP-GOSISDBHSA-N 416.455 1.494 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOCC2(C)C)CC1 1301058958 MUERAFGLVKWWFQ-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1301187028 NKTUELANYKDMKP-QZTJIDSGSA-N 413.526 1.996 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCS(=O)(=O)c1ccccc1 1303323745 AGGFRMUSZXSREF-HNNXBMFYSA-N 418.523 1.629 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C 1308099272 FABKKUCETQEUGM-PXNSSMCTSA-N 400.504 1.420 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)n1 1309464403 FWZIDYYVCADHBH-UHFFFAOYSA-N 416.503 1.385 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1309650946 RENPPGYBVPKLDN-NSHDSACASA-N 401.282 1.386 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1310185956 ADMGTTQODAIIOW-SFHVURJKSA-N 401.511 1.875 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCc2nccn2C1 1315034605 YEAHDDIHYLZZEJ-KRWDZBQOSA-N 418.505 1.848 30 10 HDEE COc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCS(=O)(=O)C1 1319179494 GLQDENIZKGNSLY-SNVBAGLBSA-N 403.254 1.011 30 10 HDEE CN(C)CCNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CC#N)cc2)cc1 1319839034 IIXOPUCSVBXWQZ-UHFFFAOYSA-N 422.532 1.393 30 10 HDEE COC[C@@H](C#N)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1346310188 AKWHAMTYZFTJDK-ZIAGYGMSSA-N 418.475 1.672 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1358966605 SEUDKVSDLVDYPA-QGZVFWFLSA-N 404.540 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1358981976 FKQHPNHDDSQTSQ-UHFFFAOYSA-N 418.501 1.524 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCCO1 1359021547 SSRXQXISYSBGTQ-IBGZPJMESA-N 422.493 1.576 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2COc3ccccc32)CC1 1359047835 VJIPFDSOONZGFO-GOSISDBHSA-N 423.517 1.957 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](COC)C1 1359059436 NKTRWQMVMKMFQZ-MRXNPFEDSA-N 407.565 1.852 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C(C)=O)CC1 1359059868 CWGSKBTVLAMQBA-UHFFFAOYSA-N 413.547 1.935 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1359082999 ZPSBXLMPVGYUEZ-OLZOCXBDSA-N 414.304 1.380 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)CC1 1359173397 FLODLTQCRRRZJW-OAHLLOKOSA-N 410.588 1.775 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC[C@H](C(F)F)N1CCOCC1 1359230097 FZUNMSMWHQBOFL-OAHLLOKOSA-N 412.485 1.492 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1359240878 ZDBJXJURHXMRTC-CYBMUJFWSA-N 411.915 1.930 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1359298220 ROKHRMWRQMMYDD-JOCHJYFZSA-N 419.489 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1359328152 VGAVSKPEDJBFOO-UHFFFAOYSA-N 404.418 1.423 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1359472700 OYHSCRHKWBIXPT-INMHGKMJSA-N 412.498 1.226 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)n2)c1 1438195417 AQOORCDJEWXALX-HXUWFJFHSA-N 402.458 1.770 30 10 HDEE N#Cc1ccccc1Sc1ccc(C(=O)NCc2nnc3n2CCNC3=O)cc1 1438916567 QTFJEAGSOQPUDO-UHFFFAOYSA-N 404.455 1.974 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cn3c(n2)CCCC3)s1 1440926875 DFAQVQJGABUKMI-UHFFFAOYSA-N 408.549 1.647 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cc(N)c1N 1446135858 FIELQYAQNJBECH-JTQLQIEISA-N 416.283 1.626 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 1449225342 RJUIRMGNARSZLR-MJWGMMHASA-N 404.467 1.516 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C(=O)OC 1454718567 WQDPZEQCOLZSOP-KRWDZBQOSA-N 406.460 1.996 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)CC1 1455114983 JPGBDUBQNGFDND-CYBMUJFWSA-N 403.426 1.578 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 1457172418 FUUPXMXUQMBKQF-PSOLEGPJSA-N 419.547 1.807 30 10 HDEE N#Cc1c(N2CCN(CCNC(=O)c3ccccc3F)CC2)ccc([N+](=O)[O-])c1N 1458168893 CNTVDGXBXBICJZ-UHFFFAOYSA-N 412.425 1.740 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1461273928 FNIHVZIAACVSSQ-OAQYLSRUSA-N 407.405 1.839 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1470006957 DVTMEEPTCJLDTO-PBHICJAKSA-N 405.499 1.970 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3nc(C)cc(O)n3)C2)c1 1471857203 FXRLNKPDLOPOBS-INIZCTEOSA-N 414.487 1.296 30 10 HDEE COc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1OC1CCCC1 1472371212 VRZPHHFOWQYCHW-UHFFFAOYSA-N 410.430 1.848 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1503773328 RESIQLJBYYMWTQ-WMZOPIPTSA-N 410.478 1.195 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504576793 SPLPLASSERITOO-CAMMJAKZSA-N 418.542 1.461 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1507520868 HLDHBSFYLUNCQB-HNNXBMFYSA-N 412.450 1.560 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1cn[nH]c1 1507531556 GBWGRKVSGMKGNZ-MRXNPFEDSA-N 405.510 1.876 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507638791 SUWGYYIAVSZCRS-HZPDHXFCSA-N 410.540 1.256 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1507700704 VCPIEAKRIGUUIW-QGZVFWFLSA-N 403.508 1.568 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1507722087 YSVGPDSEMCVIFI-MGPUTAFESA-N 416.913 1.289 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1507732021 BMRHAFBHVCVZNR-QGZVFWFLSA-N 418.542 1.752 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCC=C)CC1 1507740583 VKPKCRUTCKZKIL-UHFFFAOYSA-N 412.538 1.279 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC=CCC2)CC1 1507896024 GOIWMVCJCKPANA-INIZCTEOSA-N 408.572 1.553 30 10 HDEE C=CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1507950350 CVIYLSVZCFCXNI-UHFFFAOYSA-N 419.551 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](C(=O)OC)C1 1508133882 NFPSXBAUAYZNAM-AWEZNQCLSA-N 408.480 1.447 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1509663587 YUYHYMZHQBPVKT-VLIAUNLRSA-N 401.515 1.461 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC 1513970045 DLFHCNWJYGSGMZ-UTKZUKDTSA-N 412.494 1.319 30 10 HDEE COCC1(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1518778492 PFKSQKRAZJUYHR-KRWDZBQOSA-N 416.526 1.840 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 1519806281 VTHHYGHHBWXSOO-UHFFFAOYSA-N 412.450 1.418 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3Cc4ccc(C#N)cc4C3)C2=O)cc1 1530403578 MUUNSMIGKITFEH-QFIPXVFZSA-N 404.426 1.876 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1532777238 PFFGJOWVHGFHCN-XYPHTWIQSA-N 409.464 1.455 30 10 HDEE CC(=O)N[C@@](C)(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)C 1534147242 UNLKVZBCMUDIDX-ACXJOVJBSA-N 408.524 1.989 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 1534509873 MJZGWMSEJUCGSA-GFCCVEGCSA-N 417.267 1.865 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 1535042962 KGBOPOSEFUOFCF-AWEZNQCLSA-N 415.397 1.889 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1nnn(-c2cccc(Br)c2)c1C 1535417796 SXQNLZFTYWBTRK-UHFFFAOYSA-N 406.240 1.867 30 10 HDEE C#CCN(C(=O)[C@@H](C)OCC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536626129 PIHKXJPXKCLMSC-IGALEPNSSA-N 400.519 1.678 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CSc3nnnn3CC(F)(F)F)CCO2)cc1 1538555037 DSSFQLFHVTVOPI-CYBMUJFWSA-N 412.397 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1 1539290364 GETUFMZKWMNKNA-SFHVURJKSA-N 421.505 1.109 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1539342947 CIOHTNRTJSMKMU-GFCCVEGCSA-N 411.557 1.141 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCC[C@@H]1C 1539392742 WKKFYSDTSHEVLX-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539496456 GCQGXDGXKCQLHB-XHSDSOJGSA-N 407.540 1.083 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CN(C(=O)OC(C)(C)C)C1 1540348561 ZYATUQRVIDMPSL-INIZCTEOSA-N 407.511 1.649 30 10 HDEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1541092893 ZDEYQBIWYGUINS-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1541732931 IWQMUPAKYMVHFT-LAUBAEHRSA-N 419.526 1.743 30 10 HDEE Cc1ccc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1B1OC(C)(C)C(C)(C)O1 1542667949 UJUKRGQCKIKHLM-UHFFFAOYSA-N 412.299 1.831 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2[nH]c3ccccc3c2C#N)cc1 1543061200 OLJZDHNQUNGBAG-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE CC(=O)N1CCC[C@H](CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1543691216 DTWDMEDXDAUBPX-ZBFHGGJFSA-N 402.882 1.939 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1545123941 XSZDBOYIUZRKHN-GDBMZVCRSA-N 417.901 1.443 30 10 HDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1554272705 BKUOTVUBBDULOP-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1555558453 URSMOXKUJCQKOQ-QRWLVFNGSA-N 402.499 1.159 30 10 HDEE CC(C)CC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1558643216 PNGFVLDVXJZOLS-XKGZKEIXSA-N 403.504 1.287 30 10 HDEE C#CCOc1ccccc1OS(=O)(=O)c1cnn(C)c1I 1561236465 FZOHTANTVDWHNC-UHFFFAOYSA-N 418.212 1.804 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1565668839 RWUMMSKPJVSEHJ-YFHOEESVSA-N 419.434 1.071 30 10 HDEE COC(=O)C[C@@H]1CSCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1565989035 VQOSDGPEJKXERN-LLVKDONJSA-N 400.453 1.244 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1583811454 DLBWHMBMUULBND-LJQANCHMSA-N 401.488 1.591 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Cl)sc2S(N)(=O)=O)CC1 1587691177 PEIOHYAHPOYEII-UHFFFAOYSA-N 411.896 1.278 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1587898451 OQXJJQMMBYGMKF-YWTNHNAXSA-N 418.538 1.970 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC1CC1 1588185119 BQYWKCHLAVLYET-JOCHJYFZSA-N 413.522 1.308 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1588246000 YMWZHGJBCVIISZ-IBGZPJMESA-N 410.522 1.122 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)COCCO1 1588672713 GHEKXMUKOIFJQC-FQEVSTJZSA-N 402.499 1.031 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588751472 LAYVQBRCUPDSNY-AEFFLSMTSA-N 402.543 1.987 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCn1cc([C@H]2CCOC2)cn1 1596783994 XLQBDRCEBPGUBF-HOTGVXAUSA-N 414.514 1.413 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)nn1 1598182186 PCJYXRATUDSAFG-UVTDQMKNSA-N 415.519 1.793 30 10 HDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCn2cnnn2)cc1 1612131675 XESKCQVEBVMOPQ-UHFFFAOYSA-N 407.482 1.982 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1615814846 PSWLIYRLKMWRHW-KSZLIROESA-N 406.531 1.605 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1617184035 AUBYGNVARQHRQD-ROUUACIJSA-N 402.495 1.499 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1617275778 RVLSGTSIHRBJSO-CYBMUJFWSA-N 415.479 1.507 30 10 HDEE CN(C)c1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1617663161 QTGJDPHGJBMQRR-QZTJIDSGSA-N 409.494 1.267 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 1623730656 VCNDSMPRAROOJE-UHFFFAOYSA-N 418.469 1.718 30 10 HDEE Cc1c(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)cnn1CCC#N 1625504761 CADHUZPSOFVPIJ-UHFFFAOYSA-N 422.489 1.405 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O 1627291735 LUFZIMYUIMVBIB-GUDVDZBRSA-N 414.510 1.293 30 10 HDEE N#C[C@@]1(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CCSC1 1627705892 PMUILFNTRKXNFH-IBGZPJMESA-N 417.512 2.000 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1632611796 KFFHURRPQLZGNM-AWEZNQCLSA-N 414.487 1.178 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 1633140950 POWCQXXXQVZPEA-UHFFFAOYSA-N 405.501 1.289 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1633740320 OKCWPSFCUBWYGU-KRWDZBQOSA-N 424.906 1.860 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CN1C(=O)OC(C)(C)C 1635070738 VTAULZXIIMPIPB-YQTDRKPDSA-N 406.483 1.807 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CCC)C(=O)OC 1637697402 QTRWGFWAHDWQRD-CYBMUJFWSA-N 400.435 1.325 30 10 HDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1637823749 DBJICUNPMFOOMO-WBMJQRKESA-N 412.439 1.354 30 10 HDEE C=CCC1(O)CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1638018510 BDLJZKJAVGCDIE-NRFANRHFSA-N 419.481 1.649 30 10 HDEE COC(=O)[C@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1638171172 CKEZDPLIVRTXQM-HRAATJIYSA-N 417.462 1.433 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCC(F)(F)[C@H]3O)C2=O)cc1 1639033662 LWIYCNRNNBCKBQ-FMKPAKJESA-N 406.389 1.428 30 10 HDEE CN(C)C(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1639102983 YCGDOKTUYFVWKX-HNNXBMFYSA-N 420.535 1.222 30 10 HDEE Cn1nccc1[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCO1 1639619064 KGFIMWAFOTUPEN-SFHVURJKSA-N 402.495 1.971 30 10 HDEE C=CC[C@@]1(C(=O)NCC23COCCN2CCOC3)CCCN1C(=O)OC(C)(C)C 1641697200 PMKCANYDIPFTJU-NRFANRHFSA-N 409.527 1.550 30 10 HDEE C#CC[C@]1(C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)CCCN1C(=O)OC(C)(C)C 1641745728 XUPVYAHMPWTUPP-VBKZILBWSA-N 403.483 1.718 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4ncccn4)CC3)C2=O)cc1 1645983384 HWRZICWNCUEXNH-GOSISDBHSA-N 418.457 1.959 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)c1 1646321684 JUMVEKBDDBHFPN-LJQANCHMSA-N 418.519 1.470 30 10 HDEE N#Cc1ccc([C@H]2CN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CCO2)cc1 1648466665 MMMURZIBXHDNOZ-HXUWFJFHSA-N 408.458 1.112 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1653917216 BYEZFZRWJZEILB-QMTMVMCOSA-N 415.556 1.906 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1661513215 QFRXOVBANHTBIQ-HNNXBMFYSA-N 424.475 1.824 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccccc3Cn3cncn3)CC2)cn1 1672132152 AHFCUAUUKFFFJP-UHFFFAOYSA-N 402.462 1.625 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 1675723370 DSJUNBOHPDEGRE-NRFANRHFSA-N 400.523 1.465 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1677815057 QVQMVIDXFHKCLT-HDICACEKSA-N 413.518 1.996 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1685313181 ODARCGZIOHJAJQ-HZPDHXFCSA-N 423.510 1.393 30 10 HDEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1687135531 ZDQFQDTUPJGNJV-UHFFFAOYSA-N 400.501 1.365 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1690022536 IJPVQVDVLQSPBM-OAQYLSRUSA-N 419.577 1.610 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1690025499 SPQYPNIXSXNZFP-UHFFFAOYSA-N 421.501 1.406 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@]2(CCOC2)O1 1690052645 NPOUOISYXGKCIF-NFBKMPQASA-N 422.533 1.941 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2csc(COC)n2)CC1 1690120035 CKVPBMSUXAZYKK-UHFFFAOYSA-N 409.519 1.747 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCCn2ccnn2)CC1 1690150541 LTMXOLCCQUXJRK-UHFFFAOYSA-N 424.553 1.658 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690180320 CMDFTLKJXVIZHL-KRWDZBQOSA-N 418.567 1.119 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C)CC1 1690713950 AFYDFXUNDZGUTM-INIZCTEOSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(CC(F)(F)F)CC1 1690722947 BUEKGKCEKZGJKT-UHFFFAOYSA-N 421.489 1.831 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1696867764 HOWRPADNIXSGGC-JXFKEZNVSA-N 401.490 1.572 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1697758278 YSPNDZKSHATMCP-LAUBAEHRSA-N 410.478 1.337 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCSC(F)(F)F 1698170696 MVVVGKUEMDYVII-VXGBXAGGSA-N 409.434 1.984 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1705492412 QEKYBKJFYZLWJO-QUCCMNQESA-N 402.587 1.904 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705526009 CAKMELYGXNDIBX-MRXNPFEDSA-N 410.478 1.590 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1705551126 HEYSIEQUOUCLSJ-GFCCVEGCSA-N 424.324 1.455 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705561441 QHGVKLCDFCTOMO-SCTDSRPQSA-N 421.611 1.970 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@](=O)CC)CC1 1705637127 KMCISGJOIHCDMV-GDLZYMKVSA-N 415.519 1.198 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccs2)CC1 1705647153 BJGDOIFEWDKMFV-MRXNPFEDSA-N 412.519 1.305 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1705843676 LEEQNGUNICWYKK-LSDHHAIUSA-N 413.544 1.048 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1705873768 UXYYCOMECUUNJZ-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1705889312 IQUMBKBJCNZQPX-UHFFFAOYSA-N 419.489 1.821 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN([C@H](C)c2nc(C3CC3)no2)CC1 1705897565 OLRXTTAQERUEOZ-CYBMUJFWSA-N 400.487 1.032 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@H](COC)C1 1705900461 DXOMMMJYHLNGRJ-QGZVFWFLSA-N 421.505 1.906 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCOC(C)(C)C 1705907842 ZJIBRMFLLVPQPD-UHFFFAOYSA-N 403.531 1.693 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCS(C)(=O)=O)C1 1705922112 GKWSLGVPBANQDP-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1712308225 BKCHHXGCDZHBPU-CQSZACIVSA-N 412.560 1.691 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C[C@@H]1F 1712842052 BTGOZUZCJSJWBX-YWMUFLPLSA-N 414.485 1.590 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCSC1 1722278241 CJJHACNGCXMOQI-LIRRHRJNSA-N 420.560 1.675 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722365444 DQALYFIJGHNKLT-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)nc2)CC1 1722436557 JDCZIRAZRVVFDX-GOSISDBHSA-N 423.521 1.215 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1722631580 QPBHZTJGDLJBBW-BBWFWOEESA-N 412.604 1.879 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722699160 CPDVBNLEJKQNKL-RDJZCZTQSA-N 412.469 1.025 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C1CCC1 1723590741 LUENBRYXHYYAGB-LJQANCHMSA-N 405.478 1.165 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cnnn1 1727209794 XYAJTFZILUEIJM-LJQANCHMSA-N 414.518 1.403 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccco1 1731188149 FSTKWVXNRZRLHG-OAHLLOKOSA-N 411.466 1.382 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1740532378 DXVRNHKSODNECY-SOUVJXGZSA-N 405.528 1.120 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1740534368 YHWFRPDSIUSWIJ-SOUVJXGZSA-N 408.528 1.242 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1740556843 WPMPEBFHZFWDNJ-ROUUACIJSA-N 407.522 1.695 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(=O)C(C)C 1740609683 NISIXHLGHPWNHY-UHFFFAOYSA-N 424.553 1.684 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740622859 JWIMGVVSEPOCKM-HUUCEWRRSA-N 400.508 1.408 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740641978 IOASTGICWRHNDO-KRWDZBQOSA-N 417.560 1.285 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@H]2CCCO2)CC1 1740693826 OEJAEMLUXRTKLX-LJQANCHMSA-N 410.522 1.681 30 10 HDEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740822085 HOONJHRAMFQOHP-MRXNPFEDSA-N 402.524 1.778 30 10 HDEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740873804 ZHPQVWDYRWFZQU-UHFFFAOYSA-N 411.510 1.510 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccn(CC)c1=O 1740940530 JNUSRWSLBRHSHI-INIZCTEOSA-N 400.483 1.098 30 10 HDEE CC(C)(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1741151963 FJDPVSRHYQMVFK-LJQANCHMSA-N 405.478 1.005 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741400670 SCKNWHXBARPDIA-QCPHZMBFSA-N 416.526 1.963 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCCN1CCOCC1 1747729947 ACHRUWBWAADWMJ-UHFFFAOYSA-N 418.505 1.965 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748808654 FMRPLARUNGPBET-OALUTQOASA-N 414.531 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1748842734 UKGDZUCKDQJXAU-UHFFFAOYSA-N 410.478 1.383 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NC)c1 1748900540 GAVWYGSPVQMWPG-UHFFFAOYSA-N 418.501 1.271 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1748929712 ODSMSKQQMYJRPS-HNNXBMFYSA-N 405.549 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1749130754 NLBQFSWKTFOTQN-WBVHZDCISA-N 413.588 1.833 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749690983 XLCZVRMFCUTEGO-LJQANCHMSA-N 422.489 1.838 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOC1=O 1760245591 JAQVUOUSXWBUOL-UHFFFAOYSA-N 408.462 1.745 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cc(C)cc(OC)c2)CC1 1760252252 OKQALPWPRHPTAN-UHFFFAOYSA-N 422.533 1.635 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760305443 GJADHOJOMRVBKP-LLVKDONJSA-N 415.317 1.513 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C(=O)NC 1760310316 BAWOGPHWYGOMJH-LLVKDONJSA-N 413.320 1.127 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760336437 ZIMIHFALHZIKTB-SJORKVTESA-N 409.556 1.608 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760348818 NCFKNJADKCKXNL-QGZVFWFLSA-N 416.526 1.308 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1760450667 PKYZQQYXVRCGGR-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1760528711 KOJMZFKHRBMNMR-KHYOSLBOSA-N 409.556 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ncccc2C#N)CC1 1760554741 LMWZJNJYHPXDEM-UHFFFAOYSA-N 415.523 1.035 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760565850 FYIWRONSTVXVNZ-HUUCEWRRSA-N 415.585 1.219 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(C)=O)C1 1760569032 AOPXVGHFBIMVLG-MRXNPFEDSA-N 406.556 1.425 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1=CCCCC1 1761502628 QHWNEDIBPZEOQV-HOCLYGCPSA-N 408.528 1.508 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)o1 1761760356 HYDYCNUQCIRIKH-MSOLQXFVSA-N 414.510 1.812 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)n1 1762440143 GJSXWFKJXORMSW-LJQANCHMSA-N 402.478 1.450 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C)O1 1770940467 IOOIKEWPCJVBNL-VQIMIIECSA-N 415.494 1.456 30 10 HDEE C[C@@H](C(=O)N1CCC(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2S1(=O)=O 1849061115 PYUAHLBBUOTOLS-AWEZNQCLSA-N 424.482 1.892 30 10 HDEE CCc1ccccc1N1C[C@H](C(=O)N(C)C2CN(c3nccnc3C#N)C2)CC1=O 1849817855 BLPPGBVGDHMGHY-MRXNPFEDSA-N 404.474 1.611 30 10 HDEE COCc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1-c1cc(C)ccc1F 1850670858 CMGDRJXQRFQOMO-UHFFFAOYSA-N 400.458 1.827 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCC(COc3cccc(C#N)n3)CC1)CC2 1850741991 LZTHEKGDOZOJMR-MRXNPFEDSA-N 407.474 1.469 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c(C#N)cc1C#N 1851054390 AYCYDOPJVKTJRS-KRWDZBQOSA-N 401.426 1.736 30 10 HDEE Cc1c(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nnn1-c1ccccc1 1851184115 LKTIWQBPYCFQCK-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE CC(C)[C@H](C(=O)Nc1ncc(C(F)(F)F)cc1C#N)N1CCS(=O)(=O)CC1 1851558149 YKOXBFAHSUCHRC-CYBMUJFWSA-N 404.414 1.666 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCC2CCS(=O)(=O)CC2)cc1 1852102895 PESYUHUSEOHHHM-FQEVSTJZSA-N 408.520 1.479 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(C#N)c[nH]1 1853097791 PRJBJNSHOCTMPG-OAHLLOKOSA-N 416.489 1.855 30 10 HDEE CN(C)c1ccc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)cn1 1853304479 DMUGVTWQOLQTGZ-HXUWFJFHSA-N 410.474 1.956 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2cccnc2)CC1 1853538704 PTWZEAAAXHUTJF-UHFFFAOYSA-N 407.540 1.035 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCCC2 1853676915 ZAFZZUOYWZZSTG-UHFFFAOYSA-N 409.552 1.360 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nn2C)C1=O 1854338236 MJYNFVUVEZRJSA-MRXNPFEDSA-N 409.446 1.792 30 10 HDEE CC1(C)C(=O)N(C(=O)CC[C@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854452625 GAWPGKNWKGMQRR-MRXNPFEDSA-N 419.503 1.656 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(-n3cccn3)nn2)C(=O)C12CCCC2 1854520237 KMKOCAUILINQIQ-MRXNPFEDSA-N 407.478 1.952 30 10 HDEE Cc1cc(C)c2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)c2c1 1854815028 RRWVJZBICMBGPW-HNNXBMFYSA-N 414.487 1.686 30 10 HDEE C=CCCC(=O)N1CCCC[C@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1854828491 UQBIXULYJRMTPI-SFHVURJKSA-N 411.568 1.749 30 10 HDEE CCS(=O)(=O)C1CN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854890771 HVAVRFUIVNDFCV-GOSISDBHSA-N 403.504 1.127 30 10 HDEE CCn1ccc(C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n1 1854957929 QLWKKKBRHARJSC-SFHVURJKSA-N 408.462 1.454 30 10 HDEE COCc1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)n(C)c1 1855118790 RQMQSUNMHCNVOZ-OAHLLOKOSA-N 408.458 1.599 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)CCn4ccnc4)C3=O)CC2)cc1 1855458808 XAOSHQRGXCGEAS-FQEVSTJZSA-N 407.474 1.816 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856548277 KTKOXPDLLMAGOJ-AEFFLSMTSA-N 415.515 1.522 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cn(-c4ccc(C)cc4)nn3)C(=O)C2)C1 1856832760 UMKVOXBHJYLTSI-LJQANCHMSA-N 408.506 1.511 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857056409 MWKVCEMODMHCJR-BEFAXECRSA-N 419.472 1.991 30 10 HDEE C=CCNC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861611871 LQUPOLBNKGZYGC-HNNXBMFYSA-N 401.463 1.413 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 1870095353 GAXCNQHZPVCHLG-UHFFFAOYSA-N 412.431 1.907 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871544743 YMPKEUFBUWGDRK-UHFFFAOYSA-N 407.457 1.313 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3 1889660123 JNCZHTQRQQKCKV-HZPDHXFCSA-N 400.548 1.715 30 10 HDEE C#CCN(C(=O)c1nnsc1NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123588856 AHTUNOWPJSWDRA-SNVBAGLBSA-N 400.482 1.148 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC(C#N)CC1)CC(F)(F)F 2174785794 CMSKHOQGCIYTSL-GFCCVEGCSA-N 414.450 1.902 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC[C@@H](O)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177635060 LUBMQEZZXGKGPS-DGCLKSJQSA-N 402.347 1.009 30 10 HDEE C#CCOCCOCCNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2189866495 WWEYQVSHMLCKPE-DENIHFKCSA-N 418.490 1.585 30 10 HDEE CO[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195308068 ODNHTUWWRQZDQX-OLZOCXBDSA-N 404.529 1.926 30 10 HDEE C=CC1(NS(=O)(=O)c2cc(N)c(OC)cc2F)CN(C(=O)OC(C)(C)C)C1 2196129468 MGGVNOOFFCQHOV-UHFFFAOYSA-N 401.460 1.870 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@](O)(C(=O)C2=CCS(=O)(=O)CC2)CC1 2232541284 CERZCYLCCBIRBA-MRXNPFEDSA-N 409.451 1.698 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)O1 2243674687 MNLXHRIVPOLUAD-CABCVRRESA-N 408.304 1.810 30 10 HDEE C[C@@H](C(=O)NCC=CB1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2243686285 KIMBAZILYAJZLC-AWEZNQCLSA-N 409.336 1.888 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2247838755 NAKCSXJDNPVYGR-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@H](N)C#Cc1cccc(Br)c1 2264113565 RSJVXODQCGVORN-IIDMSEBBSA-N 411.296 1.783 30 10 HDEE CSC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2267708227 GKBPXIIFEWKJAD-UHFFFAOYSA-N 404.388 1.757 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2281942998 LHPCOWLCWJHOCO-SANMLTNESA-N 401.359 1.481 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)[S@](C)=O 2282313583 MZXYVVAANWERLM-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE CN(C)C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331991 USASFCBCURCARP-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC1(C)CN[C@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282825503 KGEMZBSMSPDZSG-NSHDSACASA-N 420.793 1.977 30 10 HDEE COCC1CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282833264 WHLUBPFJXFSYBN-UHFFFAOYSA-N 402.347 1.287 30 10 HDEE CNC[C@H]1CCCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282835816 YOCNXFPJVSNOEF-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N(C)CC[S@@](C)=O 2282838370 NMHAKJIBZYQFEH-RUZDIDTESA-N 401.359 1.293 30 10 HDEE CC(C)(CO)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838960 WZPHWAVYGUJIQE-UHFFFAOYSA-N 404.363 1.270 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(F)CCOC2)OC1(C)C 2282842665 BBJBKPTVJZYGEE-MRXNPFEDSA-N 405.322 1.595 30 10 HDEE CN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857388 HIKQHNYDIMXQCJ-KBPBESRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CC(F)(F)CO2)OC1(C)C 2282866658 NCFYARUPCZAXAK-JTQLQIEISA-N 409.285 1.750 30 10 HDEE CCN([C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872317 UZONITYGCJANLA-KGLIPLIRSA-N 401.359 1.971 30 10 HDEE CC[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284402798 LESIUQQAFUBFQM-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2289603191 ZHCUUBOLZPEYOL-KGLIPLIRSA-N 405.517 1.850 30 10 HDEE Cc1ccc(O)c(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329056020 VDCCWZALTCDWLU-OAHLLOKOSA-N 403.508 1.983 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2COC[C@H]2S(C)(=O)=O)OC1(C)C 2364908112 RJHDICDVBWVITF-CHWSQXEVSA-N 402.709 1.258 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365207810 AMEPORLWSLUDNU-CKFHNAJUSA-N 401.525 1.779 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2365208173 BPVYZYWQXLWKBV-CVEARBPZSA-N 402.557 1.721 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2365630788 WFDAJXSEMDTBHQ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367784297 AQRKJPQUQBVYQM-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806153 ILAUXSVPUAXPES-VCBZYWHSSA-N 400.541 1.483 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367823728 JAGILJUXIAFFPS-HRCADAONSA-N 400.541 1.306 30 10 HDEE Cc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)c1 20292257 ZGTMSROXULLTTL-AWQFTUOYSA-N 413.463 1.888 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCC(=O)OC)cc3)cc2C1=O 26789075 KNPZXDOHICVAIS-UHFFFAOYSA-N 421.409 1.624 30 10 HDEE N#Cc1ccccc1OCCN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 60460942 IHMBOVVUOMRYOD-UHFFFAOYSA-N 416.459 1.852 30 10 HDEE N#CC1(NC(=O)COC(=O)C2CCN(/C=C\C(=O)C(F)(F)F)CC2)CCCC1 96482197 XZXSMFYFOPZCEO-YHYXMXQVSA-N 401.385 1.839 30 10 HDEE C=CCN(CC(=O)N1CCN([C@H](C)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 440299042 XJZZPIYSAUKOON-QUCCMNQESA-N 405.564 1.567 30 10 HDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)n[nH]1 440762775 QLCLSSWPDBIXAL-UHFFFAOYSA-N 411.466 1.055 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-n2cnnn2)cc1Cl 465269666 ZOEWPSNCZJQNHN-LBPRGKRZSA-N 409.841 1.328 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 479920807 BUKDKTOJVSJOGS-HNNXBMFYSA-N 418.519 1.086 30 10 HDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nnc1-c1cccs1 481390100 CNPFWFJYFQEVFN-UHFFFAOYSA-N 421.548 1.602 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)OC 481784327 HYZHWSFFXGSEMI-FUHWJXTLSA-N 406.454 1.467 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cscc4C#N)CC3)C2=O)n(C)n1 498732161 YQSGDTIPLPEAAK-QGZVFWFLSA-N 412.519 1.615 30 10 HDEE C[C@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCN1c1nccn2cnnc12 503607543 IOKKRYQOTJYVPT-VBKZILBWSA-N 413.482 1.423 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 506892284 FMZMEEWSRRQFQQ-IBGZPJMESA-N 404.518 1.718 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1cccs1 508903390 OQZDFPMSACAFKP-OAHLLOKOSA-N 411.553 1.537 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3cccc(C)c3)n2CC=C)CC1 508944839 HHRLCAOSDNFVQM-UHFFFAOYSA-N 410.522 1.776 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 534602689 AAYZNJNBIAPCFW-QGZVFWFLSA-N 411.527 1.508 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](C)C1 544839247 PIBAVNCHWBVQOU-AZUAARDMSA-N 414.554 1.922 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)n1cnc(C#N)n1 546674544 CXKCNGLTFZDFLY-GFCCVEGCSA-N 406.368 1.714 30 10 HDEE CC(C)[C@@H](NCc1cnc2ccc(C#N)cn12)C(=O)N(C)Cc1nnc2n1CCC2 551823254 QMPJSXBKXFSWLQ-HXUWFJFHSA-N 406.494 1.516 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 555267401 YLIXPAOZKKGGOG-QGZVFWFLSA-N 423.539 1.991 30 10 HDEE N=c1nc([C@@H]2CCCN(CC#CCN3CCC[C@@H](c4cc[nH]c(=N)n4)C3)C2)cc[nH]1 560194264 CFHWJKYTDWSQJV-QZTJIDSGSA-N 406.538 1.154 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 560719462 BYEZNYJDQWCAAH-KRWDZBQOSA-N 422.526 1.796 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3cccc(OC)c3)C2)CC1 605059953 IXLQODCAMULKPZ-SFHVURJKSA-N 415.538 1.293 30 10 HDEE N#Cc1ccc(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)c(F)c1 609228850 SLHUEBQTUBLMJT-UHFFFAOYSA-N 401.463 1.858 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c1 610102833 WVTSCFNOJJHCTI-UHFFFAOYSA-N 416.388 1.627 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1 619105966 SFMAGILMUUBYKS-UHFFFAOYSA-N 408.418 1.330 30 10 HDEE CC(=NNc1ncnc2c1c(Br)nn2C)c1ccc(S(N)(=O)=O)cc1 726741588 PPWVVXSHAKSQJV-UHFFFAOYSA-N 424.284 1.609 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(Cl)cc1 727416418 OWRIWCVLBAKWKB-UHFFFAOYSA-N 411.870 1.927 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCOCC)c1 730144003 GPRVEDXUGCLWEC-SFHVURJKSA-N 416.547 1.704 30 10 HDEE CC(C)(C)OC(=O)N(CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C1CC1 732460639 BNQYFBPLQNMRQW-FOCLMDBBSA-N 407.471 1.212 30 10 HDEE N#C[C@H]1CN(Cn2ncc(Br)c(Br)c2=O)CCN1C1CC1 732666615 ZYSCUACCDKFERF-JTQLQIEISA-N 417.105 1.398 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 735177872 GSXTULBJXISWGB-UUIZBEJXSA-N 420.491 1.230 30 10 HDEE C#CCN(C(=O)CN1CC(=O)NC1=O)[C@@H]1CCOc2ccc(Br)cc21 736093618 XLUNZAUSJXUCEZ-CYBMUJFWSA-N 406.236 1.286 30 10 HDEE C=CCn1c(Cc2noc(C[C@@](C)(O)c3ccccc3)n2)nnc1N1CCOCC1 761775198 DEVDTZXQAHYHQB-OAQYLSRUSA-N 410.478 1.725 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC)[C@@H]1CCS(=O)(=O)C1 774047606 UZHQEPKIKRPHGE-OAHLLOKOSA-N 407.492 1.441 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/Cc2ccc(Br)cc2)NC1=O 781099308 FFYFEBRBOUHGDD-ZDUSSCGKSA-N 413.341 1.605 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(NS(=O)(=O)CC)cc2)n1 788603302 BARMGBWVIZZHEG-UHFFFAOYSA-N 419.507 1.958 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)OCC(=O)c1cnn(C)n1 791716110 FLWDIHFTFHUHNO-UHFFFAOYSA-N 423.223 1.653 30 10 HDEE N#C[C@@H](C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nccc2ccccc12 792094005 LIINTBOSDWPIAL-GOEBONIOSA-N 410.455 1.577 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796426336 UHSTUISGYAPGRA-KLHJMIIUSA-N 417.510 1.706 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F 798107649 AJXVTXDWUFYOPA-FGQLKYCASA-N 406.389 1.970 30 10 HDEE COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802449134 HXPCSZIMWNPRKW-MRXNPFEDSA-N 412.494 1.785 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 807109956 OHVAAFDKLKLGTB-RYUDHWBXSA-N 419.404 1.162 30 10 HDEE C#CCN(c1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 809922214 BPLNTMUAAFPHOU-MRXNPFEDSA-N 401.448 1.666 30 10 HDEE C#CCN(CC#C)c1nnc(CN(C)S(=O)(=O)c2ccc(C)cc2)n1CCOC 812135788 RATHCBOENMFUBK-UHFFFAOYSA-N 415.519 1.126 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1(Cc2cccc(F)c2)CCOCC1 818363230 HQIONYPDLGHAMR-FMQUCBEESA-N 401.438 1.950 30 10 HDEE Cc1c(C#N)cccc1C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1116930607 FZXKRSYLXZUSHP-KBPBESRZSA-N 415.471 1.937 30 10 HDEE C#CCN(C(=O)[C@@H](OC)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1125883100 IBFCQUNKWVEOJQ-DOMZBBRYSA-N 400.294 1.786 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCC2=O)cn1 1127911984 SRCATOAIVVJFAR-VQIMIIECSA-N 420.473 1.347 30 10 HDEE C=C(C)[C@H](CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OCC 1133401139 XSHGKTVKDIBNNR-CVEARBPZSA-N 418.556 1.898 30 10 HDEE COc1ccccc1Oc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc1 1134428900 FZYCVLSLQSOZDT-VBKZILBWSA-N 413.455 1.893 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1136751807 VYXOGBVVTPKACV-ZHACJKMWSA-N 417.443 1.737 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1137592018 UYOMQOFSPBCHKV-DOMZBBRYSA-N 408.478 1.850 30 10 HDEE C#CCN(C(=O)[C@H](CC(=C)Cl)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1142046942 RJZQCADMZMKFER-KBPBESRZSA-N 404.916 1.671 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1 1142183016 GGXDVOWZBVHBQL-UHFFFAOYSA-N 405.497 1.687 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152929461 GKTXMIJWWKAFMZ-KVSKMBFKSA-N 410.536 1.235 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2ccc(Br)c(Cl)c2)c(=O)nc1O 1167526926 GVNPTRYOJPNDDN-UHFFFAOYSA-N 411.643 1.595 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CN4CCOCC4)cn3)cc2C1=O 1183126533 QRVMIERONJRWTD-UHFFFAOYSA-N 406.442 1.948 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC4(CCOCC4)O3)C2=O)cc1 1248374485 AXPNISAWJMTYJX-RTBURBONSA-N 412.490 1.687 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1251830658 KNKCMHMQPFMHGV-DENIHFKCSA-N 401.507 1.833 30 10 HDEE COc1ccc(CNC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 1254694831 OUKHNSIPZPTMRF-JKSUJKDBSA-N 404.467 1.594 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1286277070 WLMQHBREEZVATC-DYESRHJHSA-N 403.527 1.253 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1286301411 DQMZSDRFKCMWJE-MRXNPFEDSA-N 416.493 1.622 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286324951 RKNXNBZBYJNIRV-ROUUACIJSA-N 404.536 1.950 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(N2CCOCC2)n1 1286433050 IYKLDSWDCKGWMF-UHFFFAOYSA-N 411.510 1.156 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1286444262 UMZLTJTXAVIOIS-LJQANCHMSA-N 406.534 1.788 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Cl)cn1 1286460850 KQKFJWXOEBNGRB-UHFFFAOYSA-N 405.890 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(F)cn2)CC1 1286489940 IJACGLXSGAMMTD-UHFFFAOYSA-N 419.464 1.888 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1cnn(C)c1 1286494761 OZFNCWCQMKJRCI-INIZCTEOSA-N 401.540 1.858 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286593875 VFSHBAMJICJXSQ-JKSUJKDBSA-N 402.499 1.515 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1286710806 DFHXTPXIMJZNDS-SFHVURJKSA-N 413.526 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1286821245 FJMWYJXRCCUQHY-UHFFFAOYSA-N 408.446 1.789 30 10 HDEE CCc1nnc(N2CCC(N(CC)CC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1292971317 VHSIOLWXMGBGCP-VXPUYCOJSA-N 415.542 1.678 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1298562222 GPRXVNGKGOQUTO-INIZCTEOSA-N 414.531 1.979 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300356285 BDJZOMCPGVBWCW-SJORKVTESA-N 401.511 1.807 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1300538679 UKNCJIMRETVYLC-IBGZPJMESA-N 417.579 1.375 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C/C=C/c2ccccc2)CC1 1300681036 KFXGIRMUIWBJAT-DHZHZOJOSA-N 404.518 1.983 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1300761618 DFNLKOBXASIIMH-BBWFWOEESA-N 424.592 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1300801212 JQPDQXIDXWVIIY-VGOFRKELSA-N 424.480 1.790 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC 1300877139 UNWLRJZWDUXPDQ-MJGOQNOKSA-N 424.509 1.985 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300905802 FJHXHKRTVQZVAD-HXUWFJFHSA-N 420.535 1.906 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1301185493 FOOWDDJKPPOQSI-HNNXBMFYSA-N 422.497 1.623 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1301308707 JTRKGIATNFUVGA-AWEZNQCLSA-N 402.430 1.607 30 10 HDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301435887 YWWXIDGIQDOBQE-CRAIPNDOSA-N 408.462 1.881 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1301508983 XXLYRGUEHCMXSR-UHFFFAOYSA-N 404.515 1.592 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCSC1 1301585811 FEDSAVWRRXODCK-INIZCTEOSA-N 407.565 1.806 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cccc4c3OCCC4)C2=O)cc1 1309461454 FEHVUOHVXVDHFK-SFHVURJKSA-N 411.483 1.963 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CSCCS1 1316212746 XQMFPUGTLUTMLS-ILXRZTDVSA-N 413.569 1.579 30 10 HDEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 1350971674 HYJOQQWWMYNTPF-UHFFFAOYSA-N 405.863 1.990 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1358919416 BVXOBAAKTJYSRR-HNNXBMFYSA-N 424.571 1.043 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCNS(C)(=O)=O 1358943636 PDXFOZAJQUZVDB-UHFFFAOYSA-N 421.523 1.360 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1358957441 URNBVKMNKXCCPM-PKOBYXMFSA-N 422.938 1.774 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358962136 KWNLFFTZCBEGNS-GOSISDBHSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358970640 UHWXFKGDZSLNDP-UEXGIBASSA-N 402.495 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCN(C)C1 1359018941 GZIWFGORHRFHAP-HSZRJFAPSA-N 423.561 1.901 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359225145 OLVTWTCWGXHXMG-HXUWFJFHSA-N 419.551 1.891 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1360110635 SJQUKSFHSBBDOP-IEBWSBKVSA-N 401.559 1.689 30 10 HDEE N#Cc1cccc(N(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)C2CCC2)c1 1437670431 CXQOJMLZPHVABX-KRWDZBQOSA-N 414.487 1.609 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CCN2)cn1 1454504886 GSXBGZJPFLTBAO-KSSFIOAISA-N 412.881 1.471 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1456864238 RUJSGPWHPQXSCK-CJNGLKHVSA-N 405.838 1.355 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)CC2)c1 1463913413 JBWFMKLOBICYLA-QHCPKHFHSA-N 405.502 1.629 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)cc1 1465259318 SPKVUROHDVFVOP-NVXWUHKLSA-N 406.508 1.768 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(Cc2cncs2)CC1 1470815357 GCIREWRYXIWYLG-UHFFFAOYSA-N 409.519 1.951 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1470852866 MQXOSFZUQYNLRW-GJZGRUSLSA-N 419.544 1.013 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3nc(C(=O)OCC)cs3)CC2)C1 1471338164 WJKFNVNPOGBDRU-OAHLLOKOSA-N 405.524 1.249 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)o1 1472415364 ZJLXGLUDLBNRGZ-DZGCQCFKSA-N 403.460 1.917 30 10 HDEE C[C@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1474943699 DVPRSFRFPSMNPA-GFCCVEGCSA-N 401.330 1.235 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1Br)C(=O)OC 1475239986 IVGSJDKXCVFQSC-CYBMUJFWSA-N 410.261 1.752 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)COC 1504576803 SPLPLASSERITOO-NEPXVJNWSA-N 418.542 1.461 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CCC2)c1 1507550066 TUCSLLNGXZRBOP-UHFFFAOYSA-N 419.489 1.650 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCOCC2)CC1 1507572703 UJDFNAHSUMOMNT-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1507592762 YHJVZULTTWYFOE-IRXDYDNUSA-N 400.527 1.775 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1507617644 XPZIDNMSSXXEEJ-OAHLLOKOSA-N 409.537 1.099 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(=O)(=O)CC 1507617822 BXNJQHMKZPRWQF-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@](C)(O)C1CC1 1507661032 KKOKAAFDPURJSB-FCHUYYIVSA-N 400.523 1.943 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2([S@@](C)=O)CCC2)CC1 1507725392 UVBZLEVEHJQUDJ-MUUNZHRXSA-N 400.552 1.340 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCC)CC1 1507729023 CZFOLXMRTQVLTQ-KRWDZBQOSA-N 418.542 1.752 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1507874864 XEMHQFGGSMXVFX-LSDHHAIUSA-N 418.947 1.912 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507960570 PCHLCSYRCQBOPZ-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1508129735 RKSXOQJHXZJUQX-MSOLQXFVSA-N 410.522 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)OC(C)(C)C1 1508137861 SDUSCQRZXHHWNH-HNNXBMFYSA-N 405.524 1.945 30 10 HDEE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1513461059 HGVUCRDFNMVQLU-DLBZAZTESA-N 424.509 1.247 30 10 HDEE COC[C@H](Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1518730375 CCSYLOCXLHNKCQ-SFHVURJKSA-N 411.510 1.485 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(F)cc(OC)c1 1519161913 BNBNUAIITCMFIY-QGZVFWFLSA-N 416.457 1.792 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)C1 1521069246 GSNKRMIGHYCPRA-ACJLOTCBSA-N 420.470 1.127 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)[C@@H]2CSCC(=O)N2)c(C(=O)OCC)c1C 1524510483 YDRUNLCZYUBCJL-JTQLQIEISA-N 412.489 1.746 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[C@H]2[C@@H](C(=O)OC)C3)ccc1F 1528148101 SGQDLNXCBFUVDN-NOLJZWGESA-N 410.467 1.704 30 10 HDEE N#Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1F 1528988246 GZHAJONRJJRDNP-UHFFFAOYSA-N 404.419 1.949 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1530219548 GQJKRMVOQOBICL-IBGZPJMESA-N 407.536 1.568 30 10 HDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc(C)c1C#N 1536645349 ZYAMJAKUIDMNLG-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1536938318 FTEPEYWMBLXDSM-UHFFFAOYSA-N 401.511 1.748 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1538992391 QKRMCQZXNYREFJ-CQSZACIVSA-N 420.473 1.962 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCc2sccc2C1 1539026033 QGVMNYIQQZTIFW-INIZCTEOSA-N 412.563 1.978 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1539199736 SOPUNEFSPSPYNE-SMDDNHRTSA-N 412.227 1.329 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1539221540 POOLYBQUGKUAQO-HOTGVXAUSA-N 424.592 1.694 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cc(C)nc(N3CCCC3)c2)CC1 1539461711 JAMUFMDUNQYEMW-UHFFFAOYSA-N 423.565 1.922 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC=CCC2)CC1 1539466554 BNCUYJWSJAYHHP-KRWDZBQOSA-N 412.538 1.738 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCOC2)CC1 1539481866 PBYMBGCTCAZXLA-PKOBYXMFSA-N 415.538 1.565 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCO2 1539513918 NLDOHNCAYTYKKF-HNNXBMFYSA-N 413.503 1.961 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1539519531 KAXAOPJTRQRTIT-KRWDZBQOSA-N 418.611 1.776 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1539558286 DLOAJHJAMRNYNA-HXUWFJFHSA-N 419.526 1.939 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2ccc(C#N)cn2)s1 1540778340 BIDYZGOEOAQMOH-UHFFFAOYSA-N 405.505 1.250 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1540909426 HFWWIFWOSODQHU-RHSMWYFYSA-N 417.601 1.813 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)CC1 1541991720 JANMOHKCGMBTRX-KRWDZBQOSA-N 416.526 1.840 30 10 HDEE CCOC(=O)[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)=O 1543123997 KFXWMYGWKMFWPR-HGSNWSKYSA-N 423.491 1.596 30 10 HDEE CNC(=O)Cn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1543231147 KYQKZVSLPSBLGU-UHFFFAOYSA-N 417.267 1.338 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@]3(c4ccccc4)CCC(=O)NC3)CC2)c1C#N 1544881510 DULVCHAYKGLDBG-OAQYLSRUSA-N 409.515 1.820 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1547744033 GFZHFUINUDCDGA-INIZCTEOSA-N 409.494 1.291 30 10 HDEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2C#N)CC1 1555271189 BHVOSDGNCXFBHU-GOSISDBHSA-N 424.484 1.861 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)C1 1556131973 AYVLICAFOQCZHJ-OCCSQVGLSA-N 413.482 1.911 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCn2nnc3ccccc3c2=O)C1 1557239962 HRGKDKDZVZDTFF-SFHVURJKSA-N 402.458 1.791 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H](CC(C)C)C(N)=O 1558084033 KDBPOGNWLHEIIK-HOTGVXAUSA-N 422.551 1.642 30 10 HDEE C[C@H]1CN(c2cccc(CN(C)C[C@@H](O)CC3(C#N)CCOCC3)c2)S(=O)(=O)C1 1559795707 MLSJOMAPNZXNPK-PXNSSMCTSA-N 421.563 1.976 30 10 HDEE CSc1ccc(Br)cc1CCNS(=O)(=O)N1CCO[C@@H](C#N)C1 1561975279 HOISAXAEQYUPEW-ZDUSSCGKSA-N 420.354 1.772 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1 1562733768 XOPRUVQCGMRSIV-OAHLLOKOSA-N 413.496 1.429 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@H]2c2ccccc2)CC1 1564827839 REQLYJJQZBTKQT-RBUKOAKNSA-N 404.536 1.365 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(C#N)(C(=O)OC)CC2)ccc1F 1568994823 FNZWOMFLCWQDNO-UHFFFAOYSA-N 409.439 1.209 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCCN(C)C)c(F)c2)c1 1570229357 XCGUMDUGVYTAEI-UHFFFAOYSA-N 419.478 1.930 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1584303380 HLNLQGWBNZUKLC-UHFFFAOYSA-N 415.475 1.522 30 10 HDEE COC(=O)CCSCc1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1585588835 NNZKEYKFPHIBPM-UHFFFAOYSA-N 416.459 1.646 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)c2C#N)C1 1586958207 IIFPVPWQMVWCPK-KBPBESRZSA-N 414.487 1.638 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)c(C)nn2-c2ccccc2)C1=O 1587020532 RWHZCZKJMCYZCZ-UHFFFAOYSA-N 401.810 1.749 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NOc1cccc(C#N)c1 1587209045 YSTWXUIBQJCONI-KAOXEZKKSA-N 407.348 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN1CCCO 1587683206 DVVMSSZIYUEYFB-XWSJACJDSA-N 405.543 1.307 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CC1 1587766434 UNADCQRTCWHMGH-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1587856880 TZNYDNSQNIUZJJ-JXFKEZNVSA-N 422.551 1.368 30 10 HDEE C#CCCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1587893829 IWMWCQSJLXFHJY-NRFANRHFSA-N 404.511 1.729 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2)c(F)c1 1588006383 KUFVGFUPZNJKKT-UHFFFAOYSA-N 407.453 1.843 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNC(=O)C1CC1 1588123991 AVHJUNZHGCGERO-UHFFFAOYSA-N 413.485 1.730 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1588276530 OYPKINAISPRITL-AWEZNQCLSA-N 408.300 1.921 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC[C@H](F)C2)CC1 1588923775 LVWHYLLGXLWCBW-PVAVHDDUSA-N 416.501 1.333 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccc(C(N)=O)c2)CC1 1588954267 CLCJIOQRVFUMNP-UHFFFAOYSA-N 420.517 1.344 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1588975573 HFWRICBRMQGHPI-JXFKEZNVSA-N 421.567 1.557 30 10 HDEE Cn1nnnc1C1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1594601874 AEDQBCCQFOEUIR-HNNXBMFYSA-N 405.503 1.893 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC(O)CC1 1594948760 KEZIKBSTBNGBDF-FQEVSTJZSA-N 424.549 1.856 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@@H]1C 1595302897 GIVQQOPWPSOKFH-FRQCXROJSA-N 412.556 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1595766886 ZXAXJULBVNMVIH-SFHVURJKSA-N 406.508 1.774 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Br)c(F)c2F)C1=O 1596154734 HRYCBJGMMMJTFM-UHFFFAOYSA-N 416.178 1.320 30 10 HDEE N#Cc1ccc(OCC(=O)NCC[C@H]2CCCS2(=O)=O)cc1Br 1596645136 AKFVZZFACBVFCJ-CYBMUJFWSA-N 401.282 1.783 30 10 HDEE CS(=O)(=O)Cc1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1611648850 LINWPQVNEZEYKO-UHFFFAOYSA-N 416.455 1.749 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1615888666 LFVKATQZKOJEGF-MOPGFXCFSA-N 403.575 1.938 30 10 HDEE O=C(NC1CCCC1)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1616174979 ISTUZDBONWDDQH-FGPFUNDFSA-N 419.503 1.277 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1619618316 GDSDZUUGRHXRSQ-KRWDZBQOSA-N 422.468 1.918 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1622265024 ZCFOUJMEMUQJBA-FZMZJTMJSA-N 402.900 1.920 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 1624508245 ROTPDVLBCJMCQO-MRXNPFEDSA-N 418.556 1.946 30 10 HDEE CCCCOc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1624617912 ISQQROMMXZSPLM-UHFFFAOYSA-N 400.435 1.715 30 10 HDEE C[S@@](=O)C1(C(=O)NCc2ccnc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1626740823 ZAULJWYZTLQUSX-MUUNZHRXSA-N 406.508 1.718 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629108712 BUMFRCKJIMTDTK-UHFFFAOYSA-N 411.484 1.557 30 10 HDEE COCCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1629261758 QDNOGJSJRQLBJX-UHFFFAOYSA-N 409.386 1.252 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccnc3Cl)CC2)cc1 1629484991 HOGWLHJGNVYQAS-UHFFFAOYSA-N 404.879 1.682 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CC1 1630038796 IVGKEXQFJIYBSX-UHFFFAOYSA-N 418.515 1.277 30 10 HDEE COc1nc(C)cc(C)c1CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1633894810 IGZYNRNJBFGDKD-HNNXBMFYSA-N 416.503 1.904 30 10 HDEE C#CCN1CCC(NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 1635165787 CVYKFRMAJKBAQF-QHCPKHFHSA-N 408.502 1.589 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCCc1ccc(C#N)cc1 1636897378 AGHLWXHNHHVJJN-NRFANRHFSA-N 407.518 1.689 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@@H](O)C2)nnc1-c1ccc(Cl)cc1 1638813796 DFAOTQBFVZDIMY-ZFWWWQNUSA-N 408.911 1.688 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)cc1 1639591459 YRFIZTMEMRSBMJ-OAHLLOKOSA-N 419.231 1.966 30 10 HDEE COCCC[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(Cl)cc1 1640395255 QMZZSBHTOIZPEI-AWEZNQCLSA-N 404.854 1.801 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCn2ccnc21 1641229099 FZPWAOOMLKOMJO-HNNXBMFYSA-N 401.492 1.743 30 10 HDEE COC(=O)[C@H]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642226228 CXBIYQGLISXXGN-MJGOQNOKSA-N 405.520 1.844 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)C2)C1 1643563082 YTGTXIRIRJEXBW-QOQLHOOGSA-N 416.522 1.900 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1643614469 ARVZLQMZPFFKOR-KRWDZBQOSA-N 414.307 1.956 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)Cc2ccc(S(N)(=O)=O)s2)C1 1643887747 CNFLBNVPKGHTCL-OAHLLOKOSA-N 404.517 1.547 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1651134738 OVNXIDNCONJEIK-UUKMXZOPSA-N 417.506 1.388 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@@]1(C#N)CC2CCC1CC2 1654418601 VIBSXISUDSBSTH-MKJPBZQASA-N 405.520 1.636 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(S(C)(=O)=O)[C@H](C)C1 1655064375 OBXIRHKLACUQHZ-HUUCEWRRSA-N 410.565 1.843 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2cccc(C#N)c2F)[C@@H]2CS(=O)(=O)C[C@@H]21 1660469171 MSDCKPGXCBYZLJ-CVEARBPZSA-N 409.483 1.916 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)CC1 1665179760 TVPPHKFZXHNXBG-UHFFFAOYSA-N 404.536 1.146 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1 1668209785 AEGNDAJGEADKQN-OAQYLSRUSA-N 402.495 1.340 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 1669305790 SQXOEZHQARMDBO-AWEZNQCLSA-N 422.327 1.900 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)n1 1670163869 BPNXRNOTJISDNF-GFCCVEGCSA-N 406.443 1.558 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OCC 1671199604 SJOYCRGTUAUDEZ-CQSZACIVSA-N 403.522 1.883 30 10 HDEE C=CCn1cc(CNC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1683483289 SISOFXQIGCDOOW-KRWDZBQOSA-N 419.530 1.301 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)C1 1685266931 LPEOZAFBJRQLGJ-SFHVURJKSA-N 413.522 1.059 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 1686054724 CHXIMIHSKOXPNS-CABCVRRESA-N 424.498 1.093 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCC1 1687389471 VGBXIRCLSXCGNA-KRWDZBQOSA-N 404.536 1.965 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 1690411328 JYARXXZZURSAFF-QFBILLFUSA-N 410.540 1.388 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N1CCOCC1 1690588089 IKKSIVUMIUWERB-UHFFFAOYSA-N 411.462 1.711 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1690624400 QHPGVGFQQQYERR-QGZVFWFLSA-N 405.524 1.337 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1690661801 HUABBPMQOGGHNH-GFCCVEGCSA-N 420.315 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1690715019 BBARENVPXWWROH-UHFFFAOYSA-N 421.498 1.289 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Oc1cccc(F)c1 1692707847 DAQZJEMPENITJZ-XOKHGSTOSA-N 414.441 1.565 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1696061876 YHSAOIBXBPPFDZ-IPMKNSEASA-N 409.462 1.178 30 10 HDEE CO[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1697160002 NOHUKDQWLHHKRE-GOSISDBHSA-N 422.493 1.885 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1705547523 TVWZUPVFFJOPTL-HXUWFJFHSA-N 418.519 1.474 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1705550535 MMICTEJVSJXUFB-FQEVSTJZSA-N 413.503 1.056 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1CC1CCS(=O)(=O)CC1 1705589915 XKCGXEUBSFCMIX-KRWDZBQOSA-N 422.551 1.290 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1705612681 MEGNLXDFJPKAFP-MRXNPFEDSA-N 412.519 1.644 30 10 HDEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1705846919 YBUSVBNYIFYYGC-UHFFFAOYSA-N 407.540 1.988 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 1705907895 BCLLOFBBOOVAFQ-HNNXBMFYSA-N 422.530 1.562 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C 1705907967 DFAPCRJWYDXODT-GFCCVEGCSA-N 416.448 1.383 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCN(CC)CC2)C1 1705928659 SOBHAHLSLNHFSI-SLFFLAALSA-N 418.586 1.937 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1712049966 YVNABUOWYCENCZ-IKVWTGGYSA-N 419.526 1.863 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1712530092 GTGLBUNJXRHKNE-MGPUTAFESA-N 422.505 1.703 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1C 1722349920 GJCASNVNHHWJLG-HOTGVXAUSA-N 406.490 1.934 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(N)=O)cc1 1722352544 HYZFSPRGVCYJAZ-UHFFFAOYSA-N 407.434 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1722378187 QZLOFWJUMLDFSI-UHFFFAOYSA-N 420.517 1.191 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN(C)C(C)C)CC1 1722440097 BRNGBFSWTOHRIT-UHFFFAOYSA-N 410.566 1.995 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1722440186 AHRBQKBVADQRFU-INIZCTEOSA-N 416.570 1.846 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1722640101 JFDGMUVFAKXXTM-INIZCTEOSA-N 404.492 1.990 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@@H]1CC 1722696507 AQESRHYCSIUYAW-KBPBESRZSA-N 400.483 1.933 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1724009553 DOTYRBKRWOYROQ-INIZCTEOSA-N 422.493 1.382 30 10 HDEE CCN1CCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1728586939 VGGFKRWXQNAXPM-LQWHRVPQSA-N 418.542 1.532 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1729160632 BSRYXWSSICJKCB-IRXDYDNUSA-N 413.434 1.879 30 10 HDEE CSC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1731063172 CMUOEYCOPKCQBB-DYVFJYSZSA-N 408.503 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1740533352 QWMQYPRLQLSRRQ-UONOGXRCSA-N 401.496 1.042 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@]1(N2CCOCC2)CCSC1 1740599437 APXHSFILNKHLBK-FXAWDEMLSA-N 423.583 1.279 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(C)C(C)C 1740607073 CGHRLNFWWUJEMS-UHFFFAOYSA-N 403.556 1.648 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C)C1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740622883 KFRQAYPLEGKYLA-GOSISDBHSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C 1740639475 CBYODTBOTOQFFN-GOSISDBHSA-N 414.506 1.943 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCC(=O)N1CCCCCC1 1740684753 ASIBAGDANQWUGL-GOSISDBHSA-N 403.527 1.661 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[S@@](=O)CC)CC1 1740699627 NNIAHBGCASHPMB-LJAQVGFWSA-N 415.563 1.689 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740783551 MZBKZLMWJXQABN-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NCCC 1740893838 ZAIYZANBMNKYLA-UHFFFAOYSA-N 420.539 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2C[C@H]1CO2 1740992966 QABICSCASBDNGJ-HOTGVXAUSA-N 423.564 1.602 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1741032786 GZCFPLYGQUANMH-UHFFFAOYSA-N 421.505 1.402 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1741257160 DFJDEQAJHNJOLF-OAQYLSRUSA-N 413.478 1.495 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@H]1CCOC1 1744692360 MZDCPKNBVFKRKR-SFHVURJKSA-N 411.510 1.629 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747864355 XJWXJLKHBNSVDW-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1748254538 MGJOBHDYDURFCO-QGZVFWFLSA-N 418.505 1.848 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1748731671 IVXUSWCQRGYZRP-UHFFFAOYSA-N 414.897 1.601 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCc2nn(C)c(=O)cc2C1 1748756461 NEPPFPZEZBNMAF-UHFFFAOYSA-N 418.501 1.947 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@H](C(C)C)N1CCOCC1 1748848508 HCKZIUJLSXAOSK-OAQYLSRUSA-N 406.534 1.694 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H]2CCC(=O)N2)CC1 1748995141 YMQLVNJQBLFILW-LJQANCHMSA-N 422.533 1.508 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2CCOCC2)CC1 1749018589 AEHHCQCKEKDUOZ-LJQANCHMSA-N 415.538 1.912 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC=C(C(F)(F)F)CC1 1749650396 VOVDRMALYROHMO-UHFFFAOYSA-N 412.416 1.515 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749677335 WHVXDIDKXNVUHL-GOSISDBHSA-N 424.549 1.813 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749720501 RPKOAKKSLSYGFK-HNNXBMFYSA-N 418.523 1.323 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1749744398 JNOLUXUALZZOFP-KBPBESRZSA-N 403.574 1.423 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1760114497 NNJLTWBDYOJJOR-UKRRQHHQSA-N 413.478 1.761 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN1CCCO 1760216719 YIEHOZSWEPRKQR-FQEVSTJZSA-N 406.534 1.958 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@](C)(O)c1cc(C)oc1C 1760247699 LNVDWUFIXQZGGG-OAQYLSRUSA-N 410.478 1.939 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2nnc3n2CCCCC3)CC1 1760266107 PZHQLCVRROZHLH-UHFFFAOYSA-N 410.526 1.113 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CC(N)=O)C1 1760335432 MTWAOLSYQPGRDJ-JEWRLFTDSA-N 416.526 1.302 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760436198 LUUHDRNJDYSVCD-FXAWDEMLSA-N 424.553 1.690 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CN(CC(C)C)CCO1 1760464657 MDAZBOUODBNHDP-IAGOWNOFSA-N 411.572 1.159 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1762225290 BSSUHHWZSXLARG-JLTOFOAXSA-N 404.515 1.476 30 10 HDEE Cc1nnc(N(C)CCN(C)c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1762526480 GTWQYNFLSIJDDW-FMQUCBEESA-N 409.494 1.686 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1769588189 VOWKWDXDKVYPIC-QVKFZJNVSA-N 410.478 1.480 30 10 HDEE COCCOCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1770146355 QWHQNPFFLADYQF-INIZCTEOSA-N 401.467 1.736 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc(F)cc1)ON1C(=O)c2ccccc2C1=O 1772789682 WSSQNUZOPNAZMR-UHFFFAOYSA-N 406.391 1.639 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)CCNS(=O)(=O)c1ccc3c(c1)OCCO3)CC2 1849728088 RXQVKDMOWSKEHQ-CQSZACIVSA-N 405.476 1.278 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1849842708 UTSAQQGAIHXPHS-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@@H](C(=O)NCCN2CCC(C#N)CC2)C(C)C)c1 1850086375 RSNRRHKWPUDASN-LJQANCHMSA-N 406.552 1.650 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)NC1=O 1851236071 TWWDYVUMDRKJQA-NSHDSACASA-N 402.838 1.322 30 10 HDEE Cc1nc(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c(C#N)c(C)c1Br 1851381475 ULEZVHWWGXYLJK-AWEZNQCLSA-N 421.295 1.796 30 10 HDEE C=CCC(=O)O[C@@H]1C[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 1852332177 FOXUCOBPCZQOKW-TZMCWYRMSA-N 413.448 1.128 30 10 HDEE Cc1nnc2c(N3CC[C@@H](NC(=O)c4cn5cc(C#N)cc(Cl)c5n4)C3)nccn12 1852809285 NUNZHZUMSNMTMI-CYBMUJFWSA-N 421.852 1.614 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCN(CC(=O)c4ccc(C#N)cc4)CC3=O)n2c1 1853878958 WRTBQQCDAGOSQI-UHFFFAOYSA-N 401.426 1.682 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1854599913 VTMHDZTXFPRHPL-KRWDZBQOSA-N 405.520 1.334 30 10 HDEE CCSc1ccc(CC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855073715 GPYLLCJHDHAALO-GOSISDBHSA-N 400.548 2.000 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cccc(F)c1 1856987037 WDTZCICXGUQNPW-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE Cc1cc(C(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)nn1C 1857265696 YMEOKRMPFSIXIS-MRXNPFEDSA-N 406.490 1.864 30 10 HDEE N#Cc1cccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858419860 RCWXQVNCJQCYQI-ZDUSSCGKSA-N 411.443 1.789 30 10 HDEE N#Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)N4CCOCC4)CC3)nc2)c1 1858444318 GHWGLKTVOMMCDZ-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861201577 JZGUBFLPUUKBLU-DOTOQJQBSA-N 406.914 1.214 30 10 HDEE C[C@H]1CN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)O1 1868782920 MSUGAOSCMNCLFS-UXLLHSPISA-N 404.536 1.777 30 10 HDEE C=CCn1cc(OCc2ccc(F)cc2)c(=O)cc1CN1CCN(CCO)CC1 1870623866 YXBKMFSRFKOEIK-UHFFFAOYSA-N 401.482 1.862 30 10 HDEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699395 AHZLIUFLWZLHEU-UHFFFAOYSA-N 416.489 1.932 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCc2ccncc2)sc2c1CCC2 1872707624 ZNNPDZPJRMYEHO-UHFFFAOYSA-N 424.442 1.834 30 10 HDEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCC(N)=O)nnc1C(F)(F)F 1874460460 VRKVCMIYNRBMGI-CGOBSMCZSA-N 419.385 1.782 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1888989751 YNXWBBSHHDBREC-SFTDATJTSA-N 412.559 1.835 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 1891235776 XFGBWCVTAIRFEW-UHFFFAOYSA-N 416.459 1.293 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(n3nccn3)C2)[C@@H]1c1ccc(C#N)cc1 1892101896 KIVVREZTPBRXPX-RBUKOAKNSA-N 410.503 1.627 30 10 HDEE C=C(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1994939515 XWLQMNAZIOPLJF-CYBMUJFWSA-N 411.308 1.449 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 2010401644 GLFNLWVKELQEFA-SCAQPMJSSA-N 423.363 1.994 30 10 HDEE C[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCC1=NO 2046026324 QESVSCCIMVZHBG-SGTLLEGYSA-N 411.455 1.513 30 10 HDEE Cn1ncc(Br)c1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2074367144 JNXCHVUSHPDBDB-DGCLKSJQSA-N 413.320 1.627 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)cn1 2118168349 SEMUAKKSJCULAB-ROUUACIJSA-N 416.459 1.315 30 10 HDEE N#Cc1ccc(Br)cc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118194660 NMUOLUXYYPLSAU-MWLCHTKSSA-N 419.201 1.679 30 10 HDEE C#CCCN1CC[C@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139349336 UTMCTVQIMHWQRT-YWZLYKJASA-N 421.494 1.028 30 10 HDEE CN(CCS(=O)(=O)N(C)C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2172716224 VTXZGEYTWVMJLG-UHFFFAOYSA-N 403.741 1.362 30 10 HDEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1ccc(F)c(C#N)c1 2174782363 PQTNBLZTMKFXQG-UHFFFAOYSA-N 401.460 1.907 30 10 HDEE N#CC1CCN(S(=O)(=O)NCc2cccc(I)c2)CC1 2175852154 RANJWDMJROBJFI-UHFFFAOYSA-N 405.261 1.861 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@@H]1CCS(=O)(=O)C1 2180095383 RIUVNSZJZWCBGP-UPJWGTAASA-N 406.451 1.041 30 10 HDEE CC1(C)OB(c2cc(F)cnc2N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2188592829 XDFWTPYYMYKEGK-CYBMUJFWSA-N 402.322 1.444 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@@H]21 2199771937 BLLVZWJVGGRFFJ-XQHKEYJVSA-N 402.513 1.679 30 10 HDEE CN(Cc1nn(C)nc1Br)C(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2219815176 NCHWYCBDEVOBPH-UHFFFAOYSA-N 414.304 1.843 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CC2)C1 2247811189 GJJFRCWIEIEASU-UHFFFAOYSA-N 419.331 1.385 30 10 HDEE Cc1cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2247818468 XEYYXFQSCXPHFD-CYBMUJFWSA-N 424.303 1.503 30 10 HDEE Cn1nc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247840676 QUTJTVHXVCDYRV-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE CC1(C)OB(c2cccnc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2247855991 BFLXWOFUOUUVJK-UHFFFAOYSA-N 409.295 1.899 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247861393 KNQYKSLDQNFMDT-UHFFFAOYSA-N 410.327 1.980 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247918512 PILJYZKERBVHMF-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cc1cc(NS(=O)(=O)C2CC3(C2)OCCO3)cc(B2OC(C)(C)C(C)(C)O2)c1 2277961349 RZIPKVRNEMCUDK-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282332054 VUPOJBCCYJTEMJ-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC(C)CC1(O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282340422 FURGPUUANBUREK-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342466 HVAWWBQBPGEKSU-LBPRGKRZSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCC[C@@H]2N)OC1(C)C 2282489903 GLRUHGXZGWJMBI-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@@H](CCN)C2)OC1(C)C 2282490489 IKKCTCYGKJYFOF-STQMWFEESA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2CC(CO)C2)OC1(C)C 2282497326 OFWZOBHOUOGYMP-UHFFFAOYSA-N 401.721 1.688 30 10 HDEE C[C@H]1OCC[C@@]1(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835068 PELKGZPTNYIUJA-BDJLRTHQSA-N 402.347 1.429 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N 2282836616 MHOXATYTYPIZRT-FZMZJTMJSA-N 400.737 1.607 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284400305 UZRUMVDBFNOMIE-CYBMUJFWSA-N 401.677 1.557 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C(=O)O 2284407375 KXWXZYSVOFYEDV-RYUDHWBXSA-N 401.315 1.435 30 10 HDEE C[C@H](CCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414287 GAHUPSIGZJOSAF-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288894612 JZYVAGMUWVJGCU-STQMWFEESA-N 401.359 1.890 30 10 HDEE O=S(=O)(N=C1C=C2N(CCO)CCO[C@]2(O)c2ccccc21)c1ccccc1 2293103962 SRIZICIGFZNFNF-HXUWFJFHSA-N 400.456 1.232 30 10 HDEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@H]2c2ccccn2)cc1 2296223427 SCZNUAJCCFDMJO-IBGZPJMESA-N 412.442 1.911 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCC1 2365213622 VULFCOIQSJIULN-OAHLLOKOSA-N 402.557 1.683 30 10 HDEE COCCn1cc(C#CC(=O)C2(O)CCN(C(=O)OCc3ccccc3)CC2)cn1 2365974506 DVQOKCOUPVIKKJ-UHFFFAOYSA-N 411.458 1.614 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C1CCOCC1)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367791606 JWZVDKLYEYXDRM-JKSUJKDBSA-N 400.541 1.462 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793775 DOPWESMDKFISTD-OAGGEKHMSA-N 401.525 1.638 30 10 HDEE CC1(C)OB(c2csc(C(=O)N(CCO)CCC(=O)O)c2Cl)OC1(C)C 2368600463 DLEYMIJHTOSUKI-UHFFFAOYSA-N 403.693 1.610 30 10 HDEE CN([C@H]1CNC[C@H]1F)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2369652180 JMOHSQLTTYTFMF-MNOVXSKESA-N 424.756 1.631 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@H](O)[C@H]1C(F)(F)F)C(F)(F)F 2370251211 AGHYUADPDLHSLH-WATHFIQWSA-N 404.229 1.900 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2cccnc2)/C1=C(/O)c1ccc(F)cc1 6025540 ODZIGACSOZZZTR-LAFOYAEKSA-N 411.433 1.975 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)N(C)C)c3)cc2C1=O 8075167 RJHCXUSPYFPHQX-UHFFFAOYSA-N 413.455 1.971 30 10 HDEE C#CCNC(=O)COC(=O)C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 8279013 BUBGVKOJWHPVAN-UHFFFAOYSA-N 412.895 1.614 30 10 HDEE Cc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2N)o1 21321401 ZIYCALBJPHEHTR-QGMBQPNBSA-N 416.423 1.978 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 96993228 AVFRPPAEXVOMPZ-UHFFFAOYSA-N 422.880 1.948 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2C)CC1 324780228 HRVSBBCFFTZBFW-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnc(-c3ccccc3)nc2)CC1 444066206 RNSGEKQMSGGRIU-UHFFFAOYSA-N 406.471 1.921 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2ccc(C#N)cc2Cl)CC1 444778085 SFFORFUJDIOUEB-AWEZNQCLSA-N 403.914 1.459 30 10 HDEE C[C@H]1CN(c2ccnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2)C[C@@H](C)O1 445257529 ZCHMSNSUZBSREK-CALCHBBNSA-N 406.490 1.924 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CNC(=O)c1cc2c(s1)CCCC2 465271141 WPMOKABXLQASOU-AWEZNQCLSA-N 424.530 1.756 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2CC)c1=O 478747478 OWVJHEYFBNONFK-UHFFFAOYSA-N 411.502 1.923 30 10 HDEE Cc1nccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)n1 479595827 XGFGRRCCNYFMQS-UHFFFAOYSA-N 408.508 1.578 30 10 HDEE CC[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@@]2(CCOC2)O1 483158526 VFUXRTPXLFGERA-DBXWQHBBSA-N 418.563 1.727 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1CC 491822578 WGIBMONYAXGDRB-UHFFFAOYSA-N 410.524 1.653 30 10 HDEE Cc1cn2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)sc2n1 505368836 PRLIJMOVCITEJI-UHFFFAOYSA-N 415.500 1.723 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)N(C)C)CC1 508494466 PTOCSDQFFHVVQS-UHFFFAOYSA-N 402.524 1.760 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 508956555 QWZSEQGMMBKGBT-UHFFFAOYSA-N 413.482 1.686 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)C1(S(C)(=O)=O)CC1 510557912 HNOZNJSXJUNNEW-VIFPVBQESA-N 407.311 1.565 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(C(N)=O)c3)CC2)c1 520814955 VNOUREQJNJHOGO-UHFFFAOYSA-N 412.471 1.697 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 521065043 YXIGMCSSIVCFQZ-QGZVFWFLSA-N 413.503 1.806 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 523994923 GTOISDVLHQJHBE-CQSZACIVSA-N 405.505 1.761 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 546919987 FKXBYDCPAXMQHE-SXGZJXTBSA-N 407.536 1.919 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(F)c(C#N)c2)CC3)CC1 560733027 OQFCOPIDNCAGKI-HNNXBMFYSA-N 424.480 1.274 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)N(C)C)cn3)cc2C1=O 573361296 XACJKJQIAVOING-UHFFFAOYSA-N 414.443 1.366 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1 580134151 PPRNYPGKSOLCAH-HNNXBMFYSA-N 414.491 1.169 30 10 HDEE CN(C)C(=O)C[C@@H]1CCOC2(CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 581786289 QJESZJDRDJTBKB-KRWDZBQOSA-N 405.520 1.986 30 10 HDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 585088996 XMYIJVAKLXOLMY-HNAYVOBHSA-N 419.483 1.452 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 585356206 ZOMBFTRVLNAQER-UHFFFAOYSA-N 403.420 1.925 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](/C=C/c3ccc([N+](=O)[O-])o3)N2N1 588227019 FTPSXGYHAMNYSW-LOWQCSRCSA-N 409.427 1.591 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1cc(C#CCO)cs1 703984253 QHSSGYGGUIHMLM-UHFFFAOYSA-N 418.496 1.198 30 10 HDEE Cc1noc(CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 726270914 IMAVLGQFNQGHEZ-PXLXIMEGSA-N 406.468 1.555 30 10 HDEE CCOC(=O)C(C)(C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 727410835 VDGBSEPXTPDIKB-UHFFFAOYSA-N 409.508 1.743 30 10 HDEE C#CCN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)[C@H]1CCS(=O)(=O)C1 729333040 IVKWAZRWKKYYIK-ZDUSSCGKSA-N 404.469 1.801 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](O)C(F)(F)F 736214017 AHPQIXWEMLMNPM-JSGCOSHPSA-N 421.441 1.569 30 10 HDEE O=Cc1ccc(OCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)c1 742663108 HJZHAVWSGUDFKO-WUKNDPDISA-N 422.235 1.283 30 10 HDEE COc1ccc(CNC(=O)COCC(=O)NCc2ccc(OC)c(C#N)c2)cc1C#N 747081151 PXLRBJZMQXWJAH-UHFFFAOYSA-N 422.441 1.396 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749289598 ALXFLZSWFSWZIG-DYVFJYSZSA-N 413.521 1.499 30 10 HDEE C[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)N(C)CCC#N 750424184 BPIVYKNEUYUCDO-SNVBAGLBSA-N 407.228 1.342 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC2(C)CC2)C1=O 751921854 ARZUDTWIJHUPCN-OCLJWFPGSA-N 417.579 1.792 30 10 HDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 751922700 PFGZZJBRKZLDLM-GDBMZVCRSA-N 419.551 1.129 30 10 HDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)cc1 754040991 BWYICEGONBRLPP-CQSZACIVSA-N 400.522 1.813 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc(C)c(Br)s1 754431891 MYKWZQQKTVAKAL-VIFPVBQESA-N 413.340 1.025 30 10 HDEE CSc1ccccc1NC(=O)CN(C)C(=O)COC(=O)c1cc(C#N)cn1C 754924805 CIBRZJBTKUUWKG-UHFFFAOYSA-N 400.460 1.873 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2COc3ccccc3O2)C1 758311178 VAJQEOLYAWBDOH-RRFJBIMHSA-N 402.451 1.885 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCNC(=O)c2ccccc2)[C@H](C#N)C1 758324955 LXSAGMZZJOXWSJ-HZPDHXFCSA-N 401.467 1.475 30 10 HDEE Cc1nnnn1/C(=C\c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760777969 OTRNFVNWMBERDD-UYRXBGFRSA-N 418.436 1.734 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCC23OCCO3)c1 773820951 FHTHZMUWOVLMBT-HGSNWSKYSA-N 407.492 1.981 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152563 HEPSBVPNPAMRSP-IAGOWNOFSA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774264463 WIOPMOPPCZQSBD-UKRRQHHQSA-N 413.902 1.890 30 10 HDEE Cc1[nH]ccc(=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1Br 782922030 FQVWVSKEIJQCRP-UHFFFAOYSA-N 409.265 1.252 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)ccc1OC 784706566 TZKVNRIMISCWTC-AWEZNQCLSA-N 414.466 1.978 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=S)NCCN3CCOCC3)ccc21 787200227 VTWQOTHNJSONLK-UHFFFAOYSA-N 401.536 1.888 30 10 HDEE C[C@@H](Sc1nncn1C)C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790867646 AFHZNAFMIGBISA-MRVPVSSYSA-N 419.410 1.691 30 10 HDEE CCn1c(COC(=O)c2ccnc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 795972712 UIYBOPMQSQKDIP-UHFFFAOYSA-N 413.459 1.930 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(F)c(F)cc(F)c2F)n1 800938178 HCEKKRQGVHZSNE-UHFFFAOYSA-N 405.373 1.910 30 10 HDEE C#CCC(CC#C)C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 806777974 VSHDWHVHRBXWBE-UHFFFAOYSA-N 409.530 1.551 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C[C@H](O)COc3ccc(CC#N)cc3)CCO2)C1 814665207 RAGWOXFQBSSHJP-SFHVURJKSA-N 417.506 1.814 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc4ccccc4c3)C2=O)CC1 913100223 RTLKOTIEKHINLF-HXUWFJFHSA-N 406.486 1.392 30 10 HDEE CN(C)c1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 917637456 ZQAPQZDMPKRUJO-LJQANCHMSA-N 404.474 1.473 30 10 HDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1143053679 ALGZIJQIZWNRCC-QGZVFWFLSA-N 406.504 1.100 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)cc1 1143308677 UIIFOGGRGKDDQA-UHFFFAOYSA-N 420.491 1.941 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)NCCO)cc2)c1 1150641971 OTRAYQGFZQSEIL-UHFFFAOYSA-N 414.483 1.387 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1158280527 JBGTZJSBXIERJF-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE COC(=O)[C@H](CNC(=O)COc1cccc(Br)c1C#N)[C@@H]1CCOC1 1159772546 OSSQGUCNJZAEFN-DGCLKSJQSA-N 411.252 1.641 30 10 HDEE C[C@@](CO)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1163973195 GGRSWMIWOSTBOD-GCJKJVERSA-N 406.442 1.787 30 10 HDEE N#Cc1ccc(CNC(=O)Cn2nnn(-c3ccc(Br)cc3)c2=O)cc1 1166841916 CAKDAPKVDYZREB-UHFFFAOYSA-N 413.235 1.380 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H]2OCC(=O)N[C@@H]2C1 1170903550 BFTYYHGHECJKRI-APHBMKBZSA-N 402.520 1.805 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)[C@H](C)O)cc21 1179493918 HABJYMQJOYUCKZ-SJCJKPOMSA-N 420.516 1.950 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196643551 JMLGDZATWFUJSJ-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 1202195398 FVQRWNSNNIUSNP-UHFFFAOYSA-N 424.479 1.256 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1212140754 QXOXAQQMOXONOM-AWEZNQCLSA-N 400.460 1.500 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1212442703 OACSPTDZRTXYDQ-OAHLLOKOSA-N 409.485 1.425 30 10 HDEE C#C[C@@H](NC(=O)NCCn1cc(C(=O)OC)nn1)c1ccc(Br)cc1 1228244735 HXPMSMBWLIRVHO-CYBMUJFWSA-N 406.240 1.501 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 1229561292 QWSAKWODHUFZDR-MRXNPFEDSA-N 401.467 1.475 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 1233852747 MBQBFHOYFPFCMC-CABCVRRESA-N 408.499 1.366 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1252584349 GWTIKGKZRCPQKE-UHFFFAOYSA-N 405.524 1.510 30 10 HDEE CCOC(=O)c1sc(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)c(C#N)c1C 1264026261 QMIHQWPOSVJDFV-LLVKDONJSA-N 407.448 1.455 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1265510485 XCAGFDVFLRTQBL-CYBMUJFWSA-N 401.435 1.338 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 1279052364 HKGLSLXFBHVWKR-UHFFFAOYSA-N 407.293 1.893 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286345209 XRQMGCUJGLMOJB-UHFFFAOYSA-N 409.494 1.328 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286356354 ONPNGDYPSNKGPG-NRFANRHFSA-N 424.597 1.769 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1286554110 GOOQENGHDBWRKS-IKGGRYGDSA-N 424.567 1.777 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1286691258 XNAKWUOPZPILHZ-UHFFFAOYSA-N 400.531 1.957 30 10 HDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1287276698 AKFJIJJVRQXCBH-KNQAVFIVSA-N 410.522 1.745 30 10 HDEE COc1ccc(CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)cc1C#N 1288289600 SAGAYMMTMNYKPC-CYBMUJFWSA-N 405.501 1.784 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CC1 1292032442 CCJMNIYOCGXUSD-NDEPHWFRSA-N 406.556 1.848 30 10 HDEE Cc1nnc(N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)c(C(N)=O)c1C 1293109014 KJANVKVCIAOFMT-VMPITWQZSA-N 411.437 1.263 30 10 HDEE CCN(C)C(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1295074443 JWIXXNGUKYLHMT-UHFFFAOYSA-N 408.510 1.617 30 10 HDEE C[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1CC(C)(C)O 1296497518 RPBZGXCKCVEZNA-QGZVFWFLSA-N 407.555 1.941 30 10 HDEE Cn1ccnc1N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1297414635 CURWRMYZIAIXQT-UHFFFAOYSA-N 405.455 1.255 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1=O 1298847315 OQGGXPCEOJDSQL-QHCPKHFHSA-N 419.525 1.995 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H](c1ccccc1)c1nc[nH]n1 1299106541 UUOMRHRROLWGNT-SFHVURJKSA-N 424.486 1.858 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccoc2)c1 1300332696 LCYXAUMCIYZNGQ-SFHVURJKSA-N 418.457 1.927 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300407800 DHKCFWYMTDGNBO-IRXDYDNUSA-N 414.510 1.352 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300495108 CVVYUKUHZRTSER-OAHLLOKOSA-N 416.494 1.844 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1300980245 GREYJZGPTYRFIK-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1300989306 NRFYMQXVQPRBOI-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1301302841 NBYLBCOXFGWNOQ-UHFFFAOYSA-N 422.537 1.303 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnnn1C 1301422747 VTVNJWDPQMHIHH-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC=C(C)CC1 1301484351 FUOGGVILCZXBBL-UHFFFAOYSA-N 415.519 1.807 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@]1(OCC)CCOC1 1301519470 OXUGDJQREUUTEM-PMACEKPBSA-N 421.567 1.566 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCCNC(C)=O)C1 1301566003 IPQUNIPSQBKWCT-IBGZPJMESA-N 423.521 1.824 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(CCN(C)C)CC1 1301951595 BOBCHCVWKOWWDV-KRWDZBQOSA-N 418.590 1.286 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1302480601 RCHGBVIKWXAPQH-IAGOWNOFSA-N 422.555 1.336 30 10 HDEE CC(C)N(C)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303276734 NPASOAWVKOVLFZ-HNNXBMFYSA-N 411.510 1.657 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1303950793 RRRXQUHXSOMWHO-IRXDYDNUSA-N 421.505 1.433 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)NC(C)C)CC3)cc21 1311251410 AVORNQQHRJMVIT-UHFFFAOYSA-N 406.512 1.615 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(C)C)CCOC1 1314143365 VGYXBVDNXUULND-PXNSSMCTSA-N 407.515 1.722 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CCO1 1315011448 ASMJORJFVOHIJZ-LJQANCHMSA-N 423.521 1.254 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1359021635 VURCJUYZCWGOIU-UHFFFAOYSA-N 418.519 1.617 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1359039235 AILMGWXDTMXDRT-WIYYLYMNSA-N 403.527 1.298 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359126369 NPPUNNYZGVYXOC-FQEVSTJZSA-N 404.515 1.069 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)CC1 1359179563 YHFAJTJQCMWCGJ-WMZOPIPTSA-N 423.583 1.303 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359216446 WKSUNBURNPGUNB-GOSISDBHSA-N 404.559 1.785 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359226676 KCGIPXFDWPYCQL-MRXNPFEDSA-N 418.542 1.517 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359285732 FQLBWGCSNVCBRP-HUUCEWRRSA-N 400.435 1.263 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)C2(C#N)CCSCC2)CC1 1435181240 LLAOISHAOGVVGD-UHFFFAOYSA-N 413.487 1.838 30 10 HDEE CC1(C)OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1437899053 QTYFLERBYNPTNW-KRWDZBQOSA-N 405.520 1.890 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cc(N)c1N 1446135860 FIELQYAQNJBECH-SNVBAGLBSA-N 416.283 1.626 30 10 HDEE Cc1cc(CNC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1I 1448689937 YYHATQVNMDPBIT-UHFFFAOYSA-N 424.198 1.050 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OCC 1454707500 BGNLBFFCTNJFEF-LBPRGKRZSA-N 415.874 1.943 30 10 HDEE C#CCN(C(=O)C(F)(F)c1ncccc1Br)[C@@H]1CCS(=O)(=O)C1 1456087453 PVKIRUBDPHJVHO-SNVBAGLBSA-N 407.236 1.585 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@H]2CC2CCOCC2)c1 1456833432 KHXWCYVBZDMBRP-OAHLLOKOSA-N 410.467 1.781 30 10 HDEE CO[C@@H]1C[C@@H]2CN(C[C@@H](O)COc3ccc(CC#N)cc3)Cc3cccnc3N2C1 1460622836 XITYRGMSUMJHOI-KCZVDYSFSA-N 408.502 1.997 30 10 HDEE COC(=O)[C@@H](CC(F)F)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1463346594 BRXWJNZEBBJGAC-SECBINFHSA-N 415.187 1.935 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464925579 OLDLABQDXZHZRG-GASGDFKYSA-N 412.874 1.665 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1466822975 WERDZRSMHHGHMU-CVEARBPZSA-N 422.407 1.971 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC(=O)N(C)C1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1470591289 WGYISKCSTABYSW-OAHLLOKOSA-N 406.483 1.178 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(NCCS(=O)(=O)N=S(C)(C)=O)c2c1 1472880142 VHYHDOVAWCDALH-UHFFFAOYSA-N 412.493 1.593 30 10 HDEE COC(=O)[C@H]1CN(c2nnc(C)c(C)c2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1472887685 JYWACAXWNXOLMP-OAHLLOKOSA-N 401.467 1.811 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 1479008612 VHXOKZPJIVOXFW-GOSISDBHSA-N 400.435 1.491 30 10 HDEE CCN(CCC#N)C(=O)CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1479736376 CBEDEEAAUOVUHZ-SIFVSHMBSA-N 402.539 1.485 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1493172812 ZUIJTYGOOGOTQK-CRAIPNDOSA-N 410.478 1.289 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1497084498 BJWURXTZWHBVEC-ZDUSSCGKSA-N 422.440 1.565 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)C)C[C@H]1O 1503880526 CKACMUPREBAJPJ-QZTJIDSGSA-N 413.478 1.602 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(F)c1 1505082931 UVSFVGKRRWIYSB-JQHSSLGASA-N 401.442 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1507536061 AEMISZOTFWIFSI-FTRWYGJKSA-N 408.568 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1507539041 QNBLIUVBONLSEL-ARFHVFGLSA-N 416.503 1.478 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCNC(=O)C1CC1 1507604764 HGIQYIUTJHAZRP-UHFFFAOYSA-N 414.897 1.457 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCSC)[C@H]1CCS(=O)(=O)C1 1507634276 YGVCWBFYLYQAPI-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@H]1C 1507643795 RVGVJPSZXHNZGS-SCLBCKFNSA-N 418.295 1.648 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@@H](C)N1CCOCC1 1507709181 TTZMAIQMMPWCMS-QGZVFWFLSA-N 401.486 1.891 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1 1507710815 KXHUDMXAUCNTJI-MRXNPFEDSA-N 422.938 1.968 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OCC)CC1 1507723894 YLTXMPKSSHCJLH-LJQANCHMSA-N 422.533 1.740 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1508081345 XKBICGLDBJKHAZ-INIZCTEOSA-N 410.526 1.348 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508164206 ZSDHHRDDTHWHEV-ILXRZTDVSA-N 400.570 1.307 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CC(F)(F)CO1 1510154917 XHWFBGXUZNDXSF-WOPDTQHZSA-N 406.459 1.051 30 10 HDEE CN1C[C@](C)(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1=O 1517404631 FHQWKPJOBQAATR-JOCHJYFZSA-N 423.521 1.880 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(CC)[C@@H]2c2cccnc2)n1 1525225112 NKXMKLDXYNFKGE-PZJWPPBQSA-N 409.490 1.496 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1527412807 KNFFUEZRNHEPHU-KRWDZBQOSA-N 413.400 1.598 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1535946157 NRKSJDXCPXYDGO-CQSZACIVSA-N 412.493 1.461 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3nnc(C4CC4)s3)C2=O)cc1 1536298793 PEFGMTCAIJEGLO-CQSZACIVSA-N 410.459 1.809 30 10 HDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)nn1 1536310841 PLXYDSWXYZNGKI-HNNXBMFYSA-N 404.268 1.930 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(I)n1)C1CCN(C)CC1 1538305107 XBPQTIPGNMBBJR-UHFFFAOYSA-N 413.259 1.864 30 10 HDEE N#C[C@@]12CN(C(=O)COc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1538308675 OOESWHBSQBINDP-BONVTDFDSA-N 417.256 1.364 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1538964245 VVLDMUBTCRNSMP-HNNXBMFYSA-N 417.535 1.467 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539065905 MIEYUVBFBBTXJA-HZPDHXFCSA-N 407.540 1.436 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539220510 KBEHNBFGKSZGAZ-SJORKVTESA-N 406.552 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1539291967 YJDYUXABNLSIEX-UHFFFAOYSA-N 416.489 1.713 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1539384098 WMNYADOQCOUQHS-SJLPKXTDSA-N 403.527 1.515 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCn2nc(C)cc2C)CC1 1539444267 LZTOKJLWVNAFHU-UHFFFAOYSA-N 407.526 1.337 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1539488577 BFCAWYYYDYDEGJ-IAGOWNOFSA-N 419.551 1.265 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccccc1 1539646441 ROZCRUZOAQOBLQ-ADJSICKFSA-N 402.472 1.779 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540041610 BKMRIBPFHMYMMU-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE N#Cc1c(CCCNC(=O)C2CN(C3CCOCC3)C2)nn(-c2ccccc2)c1N 1540796927 DRXQPYNUTXIQKM-UHFFFAOYSA-N 408.506 1.486 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1540899337 KROGVWYUMCAVKY-LJQANCHMSA-N 419.507 1.164 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@@H](C)O1 1544756471 WLOLNLJTPVXQDM-HUUCEWRRSA-N 403.508 1.865 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 1545010419 IXRDGHLAMSGSHN-UHFFFAOYSA-N 401.492 1.803 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)Cc1ccc(OC)c(O)c1 1545529137 FMPGCOWTJGGSLL-DLBZAZTESA-N 420.506 1.975 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(CCC(F)(F)F)C[C@H](O)CO 1545882628 JYPVNMJCVPFLNZ-STQMWFEESA-N 411.421 1.708 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)C(=O)OC 1556375699 PQUVXTJCVUMZKF-IAGOWNOFSA-N 404.463 1.894 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C[C@H]1C2 1558237179 KSFCJHASUBAVRO-NWANDNLSSA-N 417.466 1.115 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1558318428 ZWHGXYJTTKCLTJ-CQSZACIVSA-N 409.464 1.145 30 10 HDEE N#CCN1CCC(NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CC1 1558929680 OJWJTINJKHXKIP-UHFFFAOYSA-N 404.814 1.857 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1 1562359744 USLIJCISSMKQHG-IBGZPJMESA-N 413.522 1.201 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1564547643 STOPIPFDYVFOHN-UXHICEINSA-N 413.522 1.806 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1564560160 XSCWDZOXUCCUQC-LJQANCHMSA-N 413.499 1.945 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1568995126 LGHRFQIEZOOPOP-UHFFFAOYSA-N 421.494 1.444 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CC[C@](O)(CC#N)C1)N2C(=O)OC(C)(C)C 1570695096 MYIQGDISZYBVNC-AUQLDDPISA-N 407.467 1.051 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)COc2cccc(Br)c2C#N)C1 1583213056 FJMWQQRIMHTYRS-LLVKDONJSA-N 416.297 1.240 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1585916472 GCKRJAAKPGBCMC-NXHRZFHOSA-N 402.495 1.497 30 10 HDEE C#CCN1CCCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1586497570 XLFSOAFMXPIPEB-OFNKIYASSA-N 413.518 1.970 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1586552731 SUXGOJOXILGGRS-WOJBJXKFSA-N 416.547 1.248 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1586824037 IESQNFZNTFSPAB-HNNXBMFYSA-N 403.298 1.219 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1587638304 CSHDKMWELNOJJH-RDJZCZTQSA-N 402.520 1.889 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H](C(C)C)N2CCOCC2)c1 1587683190 DMASBLLFCLIODY-NRFANRHFSA-N 424.549 2.000 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC=C 1587945055 GRLWSQNMRTTWLE-UHFFFAOYSA-N 404.492 1.633 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3c(s2)CCCCC3)n1Cc1nnn(C)n1 1588099037 GQUNGGVNOWEPTL-UHFFFAOYSA-N 406.519 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)N(C)C 1588128724 QDONXZGSGPQEBS-RBUKOAKNSA-N 408.481 1.744 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1N(C)CCCC1(C)C 1588638797 XBMLGSOOXVLTOF-DLBZAZTESA-N 402.543 1.436 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C)cc(OC)c2)CC1 1588733119 NYGRXSTZLGNTAH-UHFFFAOYSA-N 410.522 1.537 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1588780452 QNTQUFSIKGMDHG-UHFFFAOYSA-N 407.927 1.398 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCSC2)CC1 1588930338 SVCFBVLXBBGTGI-FUHWJXTLSA-N 417.579 1.891 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589070299 RXKAQZHFCKWRJL-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1589088746 HICTUGLIHJOFHD-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594661124 QOOUIBOGBBJFIV-MRXNPFEDSA-N 409.556 1.884 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)CCc1ccc2c(c1)OCO2)c1cc[nH]n1 1595378800 JLYJJGUVRHHRRI-CYBMUJFWSA-N 416.434 1.560 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595405759 WXEKZKOAFHWIEI-AUUYWEPGSA-N 406.483 1.603 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1595545640 ZXXUVXJDRPTXOU-UHFFFAOYSA-N 400.449 1.922 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1595550908 JMGRCVVUKPGMGK-GJZGRUSLSA-N 409.556 1.355 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1597989574 MJAFBZQAJKISDA-UHFFFAOYSA-N 402.476 1.412 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)C1 1611164889 FCRMPANJEPUYBB-FQEVSTJZSA-N 417.466 1.070 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)cs1 1612412020 HLGKMFIAIPPLAJ-KRWDZBQOSA-N 401.540 1.849 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(O)n2C[C@@H]2CCCO2)c1 1613234434 JNNIWQBQGXBXOB-AWEZNQCLSA-N 401.448 1.584 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1CCN(c3oc(C)nc3C#N)CC1)CCO2 1616230429 RGRUDESPRZFYJF-TZQQIIETSA-N 416.478 1.688 30 10 HDEE N#Cc1ccc(NC(=O)C2(n3cnnn3)CCOCC2)c(I)c1 1616833672 NLFDNXDQTAZRIJ-UHFFFAOYSA-N 424.202 1.294 30 10 HDEE C#CCNC(=O)C1CCN(Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)CC1 1617493828 UZSZHQWIMQMNJG-UHFFFAOYSA-N 422.510 1.901 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1CCCNS(C)(=O)=O 1617869447 XUIFJJVTMPJHGX-UHFFFAOYSA-N 413.507 1.721 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1619904093 ACYCLWRKQAJPOI-GJZGRUSLSA-N 423.535 1.177 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(N2CCOCC2)CC1 1619980199 FSQUBZDNXAOIJV-QGZVFWFLSA-N 418.542 1.607 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3c(cccc3S(N)(=O)=O)C2)c1 1620527708 QJGSZRBQFCMXIX-UHFFFAOYSA-N 412.471 1.022 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC)C(=O)OC(C)(C)C)s1 1622238674 GMQFAOHNSFGLNY-CYBMUJFWSA-N 402.538 1.991 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 1625505058 FQJPUTQKZBLUEF-UHFFFAOYSA-N 420.900 1.642 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1629245909 GHCTVVXCBMPAEL-CQSZACIVSA-N 417.487 1.514 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1630345401 WZNFVELIMFUKCB-KBRIMQKVSA-N 407.492 1.500 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccnc2OCCOC)c1 1631217553 VMMGXTMQMUCDNP-UHFFFAOYSA-N 402.472 1.834 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC(O)(c2ccc(Br)cc2)C1 1633522651 MWQDNHDIZQIDRA-UHFFFAOYSA-N 403.298 1.263 30 10 HDEE C/C=C\C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1633749796 RWTUGGUVCNVKNS-ZSSZLNJBSA-N 412.446 1.777 30 10 HDEE CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CC#N)c2)c1 1635702602 CGOSXTUSMDCNCE-UHFFFAOYSA-N 407.473 1.073 30 10 HDEE N#CCCN1CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 1635905523 BSRHCTPBQGXACH-UHFFFAOYSA-N 414.325 1.422 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C1 1639265499 QAJHJAMLEWQUQR-FQEVSTJZSA-N 417.469 1.961 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNC(=O)c1ccccc1I 1639557725 VPTWLLWFAAEUIC-FZMZJTMJSA-N 414.243 1.728 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1640276603 IRNHPMUMHYGHMY-NCOADZHNSA-N 410.536 1.671 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2cc(-c3ccccc3)nn2)c1 1640761401 QHUKQRFVXJYHKF-UHFFFAOYSA-N 411.487 1.839 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCN(c3ccc(C#N)cn3)CC2)CCC1 1641568679 BJBKACRVPWWHCE-KRWDZBQOSA-N 421.567 1.077 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 1642070596 WUMCKKJRYLIJRD-CYBMUJFWSA-N 404.444 1.535 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)C(=O)OC 1642415468 SHOZGWQXWBJKBI-ZDUSSCGKSA-N 402.266 1.456 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(OC)c(OC)cc1I 1644466120 NPHZVBTVYAXIAG-SNVBAGLBSA-N 403.216 1.813 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C[C@H](O)CC1(C#N)CCOCC1)C2 1645625876 KAJMJSWPOGUVTE-QGZVFWFLSA-N 407.536 1.366 30 10 HDEE COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1646209223 NTXJWCZLIQKGCD-SFHVURJKSA-N 421.519 1.712 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 1650834202 YQVDRUBXTYROCB-LRDDRELGSA-N 406.280 1.882 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCc3cc(Cl)nnc3C2)CC1 1654853042 VBNRXXIKTQQCJR-INIZCTEOSA-N 416.938 1.959 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@@H]3CCC[C@H]3C#N)CC2)cc1C 1655296742 MCBMPBZLISPVDB-AZUAARDMSA-N 418.563 1.760 30 10 HDEE N#C[C@@]12CN(Cc3cn(-c4ccc(Cl)c(Cl)c4)nn3)C[C@H]1CS(=O)(=O)C2 1660310214 VJTZADSXEAKJNX-ZBEGNZNMSA-N 412.302 1.944 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1[C@@H]1CCCO1 1663265222 BZWPPPABFXBJOX-KBPBESRZSA-N 401.282 1.889 30 10 HDEE N#C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1664010776 CLSROODSBFALPY-WDEREUQCSA-N 411.427 1.498 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)ccc2Br)C1 1665457244 KYAYAYSUQQJFFA-ZDUSSCGKSA-N 415.309 1.612 30 10 HDEE C#CCSCCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1667412263 DSJAFAGJXMTSKH-SJORKVTESA-N 412.533 1.308 30 10 HDEE CC1(C)CO[C@@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1676025126 FOUWSCSXMJCHCO-KRWDZBQOSA-N 420.535 1.779 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@H]1CCCN(CC(F)(F)F)C1=O 1680781642 KGAKXEMHTWOSIA-BQBZGAKWSA-N 401.254 1.397 30 10 HDEE COCCOC1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CCOCC1 1681282178 HDHZBULTLWDPHY-UHFFFAOYSA-N 416.522 1.992 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)nn1 1683315273 MGYWZHCWSWJKOE-HNNXBMFYSA-N 419.283 1.979 30 10 HDEE C#CCC1(NC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCOCC1 1684233740 KDKCEEXGZPSQGF-HXUWFJFHSA-N 412.534 1.756 30 10 HDEE Cc1cc2c(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c[nH]c2cc1F 1684248625 JPVWDBXYMQESRG-IFXJQAMLSA-N 404.467 1.738 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)n1 1684568707 YKXSASKXSPGPFS-INIZCTEOSA-N 414.466 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CC[C@@](F)(C#N)C3)c3nccn32)C1 1685466869 YBIWFKOJRTVOCL-SCLBCKFNSA-N 404.446 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)NCC3(C#N)CCOCC3)CCO2)C1 1685740734 DIPBETBVZJZHAJ-HXUWFJFHSA-N 408.499 1.728 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCOCC)c1 1689870187 DVPSHZGESMSLDQ-KRWDZBQOSA-N 410.478 1.322 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1689923064 JKLXZJWJFJDKJU-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCCN1CCN(CC)CC1 1690043165 RKVBOHOSYFHKLF-UHFFFAOYSA-N 422.581 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCCS(C)(=O)=O 1690049997 OKEJEPZEBWLJIG-UHFFFAOYSA-N 402.495 1.906 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1690073824 HYMHKSWXIPPOQN-NDEPHWFRSA-N 403.508 1.767 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(N)=O)C1 1690682751 YCPDLGFLYKYERC-MRXNPFEDSA-N 405.462 1.660 30 10 HDEE CCc1nnc(N2CCC(C(=O)NCCCOC)CC2)n1Cc1ccc(C#N)o1 1694666394 BBCRGXWXTVEYJW-UHFFFAOYSA-N 400.483 1.723 30 10 HDEE CS(=O)(=O)NCCn1c(C2CCC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1698320509 IECFZDDXCKEHRX-MSOLQXFVSA-N 414.535 1.838 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705508124 PPMPAHUBZMPSQJ-QGZVFWFLSA-N 421.567 1.721 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705526638 JZQIKKQLLBCJLS-CALCHBBNSA-N 402.476 1.324 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1705564027 JQGWVOIXNFJNSI-KRWDZBQOSA-N 415.519 1.257 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1705571003 UBQQVFKPVOQRPE-SFHVURJKSA-N 401.536 1.855 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H](OC)C(C)(C)C)CC1 1705634615 DCUCNKDVOUHPKO-ZWKOTPCHSA-N 407.559 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCC)CC1 1705651159 MFVSYGWQRJPLAF-UHFFFAOYSA-N 400.527 1.557 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1705866554 TXXYLUAHQKCNDG-AWEZNQCLSA-N 423.564 1.523 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705892515 MEQNACHBFZHJRM-UHFFFAOYSA-N 403.508 1.626 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705896890 BBVAPNVMPTXHAV-YJBOKZPZSA-N 415.542 1.813 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc3c2OCO3)C1 1705913907 AXHRBJOZVQCAEO-MRXNPFEDSA-N 413.478 1.975 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCSC2)C1 1705936003 HPEZIORGZOGBSR-YJBOKZPZSA-N 412.581 1.716 30 10 HDEE CC(C)NC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1706648100 HYLTWHVCUYHXEJ-QGZVFWFLSA-N 407.478 1.534 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1710994435 HQMFYEOMVUFLTP-OWCLPIDISA-N 415.523 1.322 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1712617964 PLSJOMZJKYGNBC-FQEVSTJZSA-N 416.482 1.799 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1713910310 YVPZTHBDCAUGDA-YISTTZDESA-N 401.551 1.898 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](COC)C1 1722338460 PYFYGXQIPNWHEZ-HNNXBMFYSA-N 403.508 1.535 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1722362658 VQHHMHFFFMPILZ-INIZCTEOSA-N 417.535 1.859 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722366341 RAOHNWCDURJQPG-KGLIPLIRSA-N 422.580 1.881 30 10 HDEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O 1722416925 WRUNYALXOQLHSY-UHFFFAOYSA-N 407.565 1.888 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)CC=C)CC1 1722435062 FCGCJIVOYJQFQZ-UHFFFAOYSA-N 413.547 1.610 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CCOCC2)CC1 1722437503 NUTZHCNBRTXKRI-LJQANCHMSA-N 402.587 1.590 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(C)=O)CC1 1722448637 WPRKACIYTUGCJC-SFHVURJKSA-N 416.526 1.012 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1722693441 NYIXLZYJDKUBLC-GASCZTMLSA-N 417.535 1.743 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@@H]2COCCO2)C1 1722722111 YEOMLVNGIIAHRE-RBUKOAKNSA-N 416.526 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](OC)C1 1722729542 ODQIRKSFOVLTKM-OAHLLOKOSA-N 411.553 1.460 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@@H]1C 1722737123 UBSPJIGSURKHDY-QAETUUGQSA-N 412.556 1.838 30 10 HDEE C#CCCCC(=O)NC[C@H]1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CO1 1734981538 ICHJWMAHCXRSPI-KKEPMVJESA-N 400.519 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740539761 VIXPOCLQUFAMID-ZWOKBUDYSA-N 424.567 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740547141 PGAFQPVEDHLHEO-JKSUJKDBSA-N 402.524 1.530 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1740560097 BXECGLAXIQDAPD-SFHVURJKSA-N 415.563 1.947 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740580080 XFGJCHQKJYMPQH-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740593524 HYXTXWOVAWQZHD-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740597341 SEUMMNVJXKMNCS-GQIGUUNPSA-N 403.483 1.278 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1740622576 DTUQSBWXHMCNNZ-QGZVFWFLSA-N 416.551 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H](C)N(C)C)CC1 1740692194 HQFSYNDHIBGGKM-KRWDZBQOSA-N 412.538 1.668 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1740696017 JYRZYTDOWLKPCP-UXHICEINSA-N 400.571 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1740760068 GMOZVWOYMHXUDU-MLHJIOFPSA-N 424.567 1.634 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@@H](C)C1 1740900525 ZRPDFXUHUPTDOC-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1742905992 FRTPMODLAVQOQC-OAHLLOKOSA-N 405.466 1.165 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H](C)C(=O)NC)n1CCN/C(O)=C1/N=CC=CC1=O 1743558116 XDZZBZZKEICXGR-LMPADWOJSA-N 417.514 1.136 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1746695309 CLFIKTFPTCFDCQ-WOJBJXKFSA-N 408.522 1.960 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCn1ccnc1C 1747194898 PARPRUIYAXCANS-LJQANCHMSA-N 412.542 1.977 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1747371927 ZQHVLXYPZCPJLZ-UHFFFAOYSA-N 421.509 1.152 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1748671627 LZDMREKZDHOYNQ-HUUCEWRRSA-N 418.519 1.704 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748710736 ZMXATCYMVTYWOG-GOSISDBHSA-N 418.505 1.626 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCNS(C)(=O)=O 1748800531 XXGKUAZKWNGKFV-UHFFFAOYSA-N 419.551 1.773 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)OCC 1748836531 YXKATXOJIWXFEF-UHFFFAOYSA-N 404.478 1.809 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCOC2)CC1 1748993888 PUOWTFWEGXSYGJ-NRFANRHFSA-N 424.549 1.462 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1749198291 CRZOUHKBWFLHTA-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)CC1 1749286033 CUGJREGSVNVJPR-CYBMUJFWSA-N 409.516 1.369 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1751282741 PQMUZNSEMHMDDZ-KXBFYZLASA-N 416.432 1.943 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760135883 MPIZBJORLXPCMD-IBGZPJMESA-N 409.538 1.820 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1760189519 VCIYSIPUXLXYRR-LJQANCHMSA-N 413.547 1.919 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1760190735 YCXUCTBNSSDVJF-QGZVFWFLSA-N 419.551 1.463 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCCCC2=O)CC1 1760259156 HBAMBVBBTSTOQK-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(F)(F)F)CC1 1760261697 VNSPIUFMIYLJQW-UHFFFAOYSA-N 412.441 1.587 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1760262429 ODCWIGRZGZOLMB-NDEPHWFRSA-N 403.527 1.532 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1760294711 DXONMGOJKUBVEG-ABSDTBQOSA-N 405.568 1.657 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](C)[C@H]1C 1760514488 HFFYLQWVNWEZEB-KGLIPLIRSA-N 415.523 1.558 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760521685 AYYSTMLAPZNXGJ-HNNXBMFYSA-N 411.572 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC(C)(C)OC[C@@H]1C 1760555818 OHSOQIGUTFVOBE-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)C1 1760590608 HGXHFFUPOWJNNT-QAPCUYQASA-N 423.521 1.775 30 10 HDEE CC(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1761111587 DVNVHVUCDKKLSQ-GJZGRUSLSA-N 409.498 1.262 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1761364313 SWOUHRWIWDQFNL-OWCLPIDISA-N 411.528 1.114 30 10 HDEE CN(C)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768439344 IIRXROXIOPUGOG-WMZOPIPTSA-N 415.542 1.217 30 10 HDEE CN(CCc1cnccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1768858823 JSBKOZRSZYEEPZ-VXPUYCOJSA-N 422.493 1.226 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1769386084 GIPWDGUVZRJZJA-GOSISDBHSA-N 424.461 1.851 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1769489867 ABMXSUDJHGMLBX-RTBURBONSA-N 413.478 1.474 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC(C)CC1 1770049619 DVBSPNXODIJTGW-IPMKNSEASA-N 420.558 1.851 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CCOCCCO)C1 1770730776 DYPLYVIPVHWQHW-IBGZPJMESA-N 407.421 1.837 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC[C@@H](CC(N)=O)C2)o1 1771533167 BJBFXQJKCPIMAJ-HNNXBMFYSA-N 405.462 1.869 30 10 HDEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)NC1CC1 1772789719 KCTSYPNYFNTBRT-UHFFFAOYSA-N 416.411 1.504 30 10 HDEE O=C1c2ccccc2C(=O)N1OC(=O)C1(S(=O)(=O)c2ccccc2)CCOCC1 1772792306 KKCJEDGJBZUUTC-UHFFFAOYSA-N 415.423 1.764 30 10 HDEE O=C(CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCC#CCN1CCCC1 1850069780 FBQQHPZHFGOUDO-UHFFFAOYSA-N 417.453 1.589 30 10 HDEE C[C@@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)N1Cc2ccccc2C1=O 1851539684 MAPVRCHNJFHCIQ-KRWDZBQOSA-N 419.485 1.663 30 10 HDEE COc1ccc(-n2ncc(C#N)c2NC(=O)c2nccnc2N2CCOCC2)cc1 1852307590 JVTFCQQRIUABIV-UHFFFAOYSA-N 405.418 1.631 30 10 HDEE C=CCN1CCN(C(=O)Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)CC1 1852415070 KFHFQXCZWSXZBR-UHFFFAOYSA-N 411.384 1.263 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccsc4)CC3)C2=O)ccn1 1853607755 KUHMTPJNQUTKFF-IBGZPJMESA-N 409.515 1.964 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C(=O)C12CCCC2 1854395841 PLKICYGJSIGSTL-ZDUSSCGKSA-N 403.451 1.649 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854421671 UPPRHYZRNGQVHN-INIZCTEOSA-N 410.540 1.086 30 10 HDEE CN(c1ccncn1)C1CCN([C@@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1854480934 PVHFEVUVHJVPIM-LJQANCHMSA-N 404.474 1.690 30 10 HDEE CC1(C)C(=O)N(C(=O)CC[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854515376 CJTPXKFCAHZESW-INIZCTEOSA-N 419.503 1.656 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1854642529 RHUBZZCLEAVDJO-IAGOWNOFSA-N 409.527 1.895 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)C2CCCCC2)C1=O 1854881010 NIKQJYIVXCNZAB-IBGZPJMESA-N 410.522 1.957 30 10 HDEE Cc1ccccc1-c1cc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)no1 1855073084 UABRNQRAUQGCBS-QGZVFWFLSA-N 407.474 1.922 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@H]2Cc3ccccc3O2)CO1 1855321574 NRCLURYMNBPBEH-DOTOQJQBSA-N 400.412 1.410 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC(c4nnc(C5CC5)o4)CC3)C2=O)ccn1 1856229096 BYPASZVVOJINBO-QGZVFWFLSA-N 406.446 1.834 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(CC(=O)N2CCOCC2)C2(CCCCC2)C1=O 1856254458 ZNGCCHXDNDTMNV-GOSISDBHSA-N 405.539 1.821 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)CC1=O 1856382085 AUCDGZNFIWIIRO-LBPRGKRZSA-N 409.368 1.038 30 10 HDEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)CC1=O 1856496185 BPUWADNFTJTUGW-WMLDXEAASA-N 402.882 1.974 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1857024027 PZLIWWLKXYFLQR-WMZOPIPTSA-N 423.579 1.606 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(COC)cn2C)C1)[C@@H]1CCN(C)C1=O 1857052891 COAPVUVBRZBRRZ-SJLPKXTDSA-N 416.522 1.269 30 10 HDEE COc1ccc(C(=O)NCC(=O)Nc2ccccc2C#N)cc1N1CCN(C)CC1 1868161569 ZRVHYLLQNJFVCN-UHFFFAOYSA-N 407.474 1.687 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCCN(C)C 1870681839 SUQBCILTTIMIFC-UHFFFAOYSA-N 404.555 1.879 30 10 HDEE C#CCOc1cn(Cc2ccccn2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871007797 SVMCTYZBRSZLBD-UHFFFAOYSA-N 424.482 1.563 30 10 HDEE C=CCn1c(C(=O)NCc2cccc(C)c2)cc2c(N(CCO)CCO)ncnc21 1873593489 BYCZQYQPBMRNOK-UHFFFAOYSA-N 409.490 1.647 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCC(C#CCN(C)C)CC3)cc2)CC1 1890845128 HYXKNRBZTFWMGJ-UHFFFAOYSA-N 424.545 1.408 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1965775450 IAFZGYMUTDXIGK-SFHVURJKSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)NC1(CO)CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 2174785114 VNBAYJXBPNSOTL-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE C#CCN(C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180132720 HEIGMYJQNHZIGI-JYJNAYRXSA-N 400.541 1.917 30 10 HDEE C#CCN(C(=O)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180138551 YVULSIOANSSUHA-PXAZEXFGSA-N 408.467 1.574 30 10 HDEE CN(C)S(=O)(=O)c1c(N)nsc1N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2186566176 XZYZICQYMOCDIL-AWEZNQCLSA-N 406.537 1.190 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 2197772016 BKVLMXWAUYZIRZ-CYBMUJFWSA-N 417.553 1.268 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2243332293 LFSBOQPCAPLNQK-KGLIPLIRSA-N 405.304 1.773 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2243399340 ZARRGRVYNTWUMD-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE C[C@@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243424984 BFPOUZHTHNNLCH-AWEZNQCLSA-N 400.288 1.138 30 10 HDEE C=C[C@@H](C1CC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258173529 ZZZXGPZXDWYPNO-IRXDYDNUSA-N 410.492 1.681 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2267368083 DEQBBAIVEKBNNX-BUBHHJDNSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](O)C(F)(F)F)OC1(C)C 2267371917 HIHOPWWVPVIKBK-SECBINFHSA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]3(N)CCOC3)cc2Cl)OC1(C)C 2282307369 AZLWOLKUYUBMJN-HNNXBMFYSA-N 422.765 1.097 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@H](N)C3)cc2Cl)OC1(C)C 2282312751 ASCGMHOTIWAYLM-SNVBAGLBSA-N 422.765 1.049 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C 2282331259 LLVJJLGIJJGFGS-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)N(C)C 2282333192 LJUSJOLSFOILHO-GFCCVEGCSA-N 402.347 1.192 30 10 HDEE CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339260 SUZGHLMOMPVLTG-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3CC(N)C3)ccc2Cl)OC1(C)C 2282490111 HFQXSRYBVMEKFU-UHFFFAOYSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](CN)C(F)(F)F)OC1(C)C 2282490909 JOUHUHWWWPATKD-VIFPVBQESA-N 414.280 1.463 30 10 HDEE CN([C@@H]1CC[C@@H]1N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282496324 YTNDPDSXWRKXQC-UONOGXRCSA-N 400.737 1.749 30 10 HDEE C[C@@H]1[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282496462 BDBSCVFHWSWPMT-OCCSQVGLSA-N 400.375 1.559 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282503426 ZWELAVLLMZIGKV-JSGCOSHPSA-N 401.359 1.580 30 10 HDEE CN1CC(N(C)S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282827614 AVEJOPCPLMYLAL-UHFFFAOYSA-N 400.737 1.574 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCOC(F)(F)C2)OC1(C)C 2282834164 QCKUQJSIIUGPBD-UHFFFAOYSA-N 410.273 1.197 30 10 HDEE C=C(CO)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282841632 OXISZAIJPIYNFU-UHFFFAOYSA-N 401.359 1.881 30 10 HDEE C[C@H]1[C@H](N)[C@H](C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282855208 AVQSSRSTXIOZNU-TYNCELHUSA-N 400.375 1.794 30 10 HDEE CN(C)C1CC(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877777 WQDRSBIIGXCJKP-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883256 XUQJWLMCRYCMEJ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)F 2284399202 HMKYZWXXNMVRBR-PRHODGIISA-N 407.294 1.445 30 10 HDEE N#Cc1cc2c(n(CC(=O)CCCN3C(=O)c4ccccc4C3=O)c1=O)CCOC2 2294831937 ZVROJIADNCMEHM-UHFFFAOYSA-N 405.410 1.438 30 10 HDEE Cn1cccc1C=Nn1c(COc2cc(F)ccc2F)nnc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c1cccc(C(=O)NCc2cn3cc(Cl)ccc3n2)c1 41789868 UFOLGOCVOBHBAQ-UHFFFAOYSA-N 402.863 1.829 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccccc3OCC)C2)c1=O 101764806 FAMURWCYSHGVFF-HNNXBMFYSA-N 412.446 1.915 30 10 HDEE C[C@H](C(=O)NCCCN1CCN(c2ccccc2Cl)CC1)n1cnc(C#N)n1 409557823 RXKQPOIGDDXWTC-OAHLLOKOSA-N 401.902 1.693 30 10 HDEE Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n(C2CCOCC2)n1 434317166 KKRDMWBIUBWOQZ-UHFFFAOYSA-N 417.491 1.987 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462085780 VNSIAFHZYYWZGS-QGZVFWFLSA-N 410.482 1.203 30 10 HDEE C[C@H]1[C@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 466846377 PEOLVJPCDGOUGS-FXAWDEMLSA-N 418.501 1.974 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473443718 MYKBDBHAQCGKIA-WMZOPIPTSA-N 413.455 1.572 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)ccc1F 473453398 IAJQJGNDSKLREE-SJORKVTESA-N 417.418 1.402 30 10 HDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477502132 QGQOEDYULKFODN-OAHLLOKOSA-N 408.499 1.794 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 480695971 VJKGVCQOYVKMKV-INIZCTEOSA-N 405.455 1.041 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 482170014 LNJQEUPVGXGEQB-KDOFPFPSSA-N 412.471 1.147 30 10 HDEE N#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1C(F)(F)F 511058269 QTOOCRUOSKQELH-UHFFFAOYSA-N 400.176 1.386 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)c3c(c2)OCCO3)c1=O 523652181 KSROFSZXAGCNEE-UHFFFAOYSA-N 416.886 1.744 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](NS(C)(=O)=O)C2)n(Cc2ccco2)c1C 532581352 IZFLXCDRQVWQMQ-OAHLLOKOSA-N 419.507 1.180 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2CCOC[C@H]2C1 542684431 NFKNJAVOGWUNJT-CQSZACIVSA-N 424.295 1.641 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1F 543794394 NXXIGAGMZLXWBJ-UHFFFAOYSA-N 423.491 1.701 30 10 HDEE COc1ccc(CCN2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 545497054 DCOGFDKNMXUBAG-FQEVSTJZSA-N 419.485 1.454 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 560588419 QLMWJBNSKZUISR-UHFFFAOYSA-N 415.513 1.536 30 10 HDEE COC[C@@H](C(N)=O)N(C)CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 566751607 WPRSWHNSQXURSA-SFHVURJKSA-N 413.478 1.345 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 569791616 PRNIMFYFYNGYGI-INIZCTEOSA-N 424.513 1.248 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)OCCOCCC)cc21 586315081 VOSXDSAKBBBCON-GDLZYMKVSA-N 423.487 1.499 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 604186241 YXAPIWXEPRDGGU-NRFANRHFSA-N 413.566 1.761 30 10 HDEE Cc1nc(=NC(=O)CCc2nc(-c3ccncc3)no2)n(-c2ccc(C#N)cc2)[nH]1 610232885 PQHLRTIHHDIPCE-UHFFFAOYSA-N 400.402 1.886 30 10 HDEE CC(C)NC(=O)c1ccccc1NC(=O)CN1CCN(c2ncccc2C#N)CC1 725796402 TWRBUSUQYNNXOZ-UHFFFAOYSA-N 406.490 1.852 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(Br)s1 731851095 GXWQGUSLOIYCLB-VAWYXSNFSA-N 406.283 1.315 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 731862729 KTIQXEWKFCUSFF-SQFISAMPSA-N 417.365 1.236 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 734278483 TXYGGNOKTDBHLW-QGZVFWFLSA-N 423.558 1.405 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1nc(C2CCCC2)no1 751609918 LNAYBCBENIBPOA-UHFFFAOYSA-N 404.448 1.899 30 10 HDEE C#CCOc1cccc(COC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)c1 754534731 SQNXFKYRNMKQDM-UHFFFAOYSA-N 407.426 1.564 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)[C@H](C)C1 760750666 SSQOIJJFYIFHCN-WVCJAJDESA-N 421.523 1.584 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CCOC[C@@H]1CCO)CCCC2 767596904 DVSADKCDUYXXMS-IRXDYDNUSA-N 416.522 1.439 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(N2CCOCC2)c(F)c1 770093699 XZLCXYZBFXJRJV-UHFFFAOYSA-N 403.435 1.794 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 773214612 YOCBSDIKJHHZRO-UYAOXDASSA-N 419.547 1.664 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(CCCc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774249321 YHKSDFNHUIYWKP-RTBURBONSA-N 417.531 1.052 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccnc1F 794007293 OPJRNLMINUVJKV-OAHLLOKOSA-N 404.467 1.990 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)n1cnc(C#N)n1 798747297 GCAJUVFUMPLCOE-GXTWGEPZSA-N 408.374 1.818 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2cc(F)c(OC)cc21)c1cc[nH]n1 801554718 PANJMOXGYZHDMX-AWEZNQCLSA-N 404.398 1.645 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 802604542 PODRGOVWYDXJCT-RLLQIKCJSA-N 416.570 1.737 30 10 HDEE CCc1nnc(NC(=O)[C@H](C)[C@H](C)NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 805879167 DISVIWMUWQCZIC-MBNYWOFBSA-N 405.528 1.445 30 10 HDEE COC(=O)c1c(F)ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1C 810784767 NZURCGXUHKZYGZ-UHFFFAOYSA-N 419.434 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C[C@H](O)COc3ccc(C#N)cc3)CCO2)C1 814663068 RFMPGEHCOZGARX-KRWDZBQOSA-N 403.479 1.620 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 919965702 KKEONCDRUJDUCI-QGZVFWFLSA-N 406.552 1.837 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)c1Br 1124450814 LRLYEAIZTZKDEZ-UHFFFAOYSA-N 405.296 1.701 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1124979432 NJYWIGQQHBXZHU-CQSZACIVSA-N 418.560 1.798 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1Br 1128739073 WVSGXTUFAIHNEK-UHFFFAOYSA-N 420.185 1.933 30 10 HDEE CC(=O)CCc1ccc(O[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134428938 HVMGMQNQIQARMD-RIFZZMRRSA-N 404.488 1.372 30 10 HDEE CCN1C[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1145023304 OMQJEPHYUSTVTO-XAHBDIOTSA-N 404.511 1.758 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CCOCC1 1148195542 XDFRVMSXYKXVNI-HKUYNNGSSA-N 410.474 1.081 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3cnn(CCN(C)C)c3)c(C#N)c2N)cc1 1148732033 MZRNPFLZPVEBRO-UHFFFAOYSA-N 420.521 1.755 30 10 HDEE CC(C)(NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)C(F)(F)F 1152630188 SAZKBYYVLWARRE-AWEZNQCLSA-N 407.414 1.323 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1175353743 CFRUKNBFZFVXIS-OAHLLOKOSA-N 414.384 1.919 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1181747599 NOONGWWTXLPDTF-HNNXBMFYSA-N 414.911 1.519 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 1194386359 YAGKYAZPGPHLHM-UHFFFAOYSA-N 413.396 1.979 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 1197069546 JLGAUIFNWAMSKA-UHFFFAOYSA-N 401.463 1.732 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@H]1CCCOC1 1197844293 BTVTYSCEGHVGDB-BZSNNMDCSA-N 406.552 1.488 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)c1cccc(C(=O)OC)c1Br 1212018787 YJELCQCPCMPORR-UHFFFAOYSA-N 403.298 1.469 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3CCCN4CCSC[C@H]34)C2=O)cc1 1226111413 IRQPVMZWYKFEKV-CEXWTWQISA-N 413.547 1.933 30 10 HDEE C=CCOCCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1231097501 JISSLULJINCHOH-CABCVRRESA-N 417.528 1.007 30 10 HDEE C#C[C@@H](NC(=O)N1CCn2ncc(I)c2C1)[C@H]1CCCO1 1234637522 YYRIQTPXUDRDCX-DGCLKSJQSA-N 400.220 1.194 30 10 HDEE CN(C)c1nccc2cc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)ccc12 1273535235 BUXTTXHTYNDKAQ-UHFFFAOYSA-N 409.471 1.978 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1275549695 SFEWDLKQOOOIFZ-GOSISDBHSA-N 404.488 1.151 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CC(=O)N(CC(F)(F)F)C3)c2C#N)C1 1280415123 GCNBVLOLWGHPNG-JTQLQIEISA-N 414.409 1.874 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1286298672 NIHOIWWAUDYKJB-CNVJLJKISA-N 406.552 1.843 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1286324373 OUUSXUCSWHJMFL-QGZVFWFLSA-N 424.567 1.616 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1286343149 GOOXYXWITMNBKR-UHFFFAOYSA-N 424.509 1.549 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](F)COC 1286462152 DMBMXIBSSDELJO-AWEZNQCLSA-N 414.441 1.664 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)NC(C)C)CC1 1286475636 DLCZQQVDZNLILA-UHFFFAOYSA-N 416.551 1.028 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccco2)N(C)C)CC1 1286477251 UAVAGYBILQSBPS-SFHVURJKSA-N 406.494 1.386 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1286489299 NMCUVRKERINYGI-UHFFFAOYSA-N 404.474 1.307 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)CC1 1286638000 RMGBITZSUHSPKE-HOTGVXAUSA-N 419.555 1.504 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)CC1 1286662413 JWOJPQIXBPWBJF-UHFFFAOYSA-N 410.522 1.915 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)(F)F)CC1 1286693678 XMIYAIDCAGVCNV-ZDUSSCGKSA-N 424.493 1.539 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1286706506 OTKKHAVDHCNQPO-ZNMIVQPWSA-N 401.533 1.095 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC(=O)N(C)C[C@@H]1C 1286784777 SZZHGSUDOFZIHE-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286789119 AXTCLLRCNWBHLJ-GOSISDBHSA-N 413.526 1.624 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N(C)CCOC 1286793504 GUQWUZPOFMKUKM-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](C)C1 1286824059 URWLUSTZJVFAAI-MRXNPFEDSA-N 424.596 1.682 30 10 HDEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286834633 HJYMVLCLOJNCHJ-DOXZYTNZSA-N 424.523 1.964 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1286875052 FVTXYZGEHKHQAI-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE CCN1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)c(C)c2)CC1 1290219196 HTDOJWFZIWKOGS-UHFFFAOYSA-N 410.478 1.300 30 10 HDEE CC1(C)CN(C(=O)C2CC2)CCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1295869168 ACBFHKHNYDONGU-UHFFFAOYSA-N 407.467 1.596 30 10 HDEE CCO/C=C/[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1298576802 SRQMYSUFPVUJNY-QBJLPMDFSA-N 411.380 1.871 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(=O)(=O)CC 1300400067 SVYUZIKWTHUOBM-UHFFFAOYSA-N 404.492 1.958 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CCC)C1 1300446408 KITCUYABAXPZTB-KRWDZBQOSA-N 405.510 1.722 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCn1cc(Br)cn1 1300468206 UTWCIBJDOONXLB-UHFFFAOYSA-N 400.284 1.993 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300496856 VMJICXFWLRNWMO-OXFYSEKESA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1300506188 OVQKUSMKWBDRPW-UHFFFAOYSA-N 424.896 1.428 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1300618253 BVWWNKSJQNCYJT-QFIPXVFZSA-N 422.489 1.286 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)CN(C)C1=O 1300648155 LHDCIKQMZHWDFI-QFIPXVFZSA-N 421.480 1.936 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(=O)NCC2CC2)CC1 1300690742 IBWOSSDOFSCCGD-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301510031 RLAZXYWMAKMNNN-JOCHJYFZSA-N 424.505 1.061 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2ccc(C3CCCCC3)cc2)CC1 1302923918 FESKYXWJOYULQV-UHFFFAOYSA-N 403.548 1.889 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 1304657731 ADXFXQQCNDJKLH-RTBURBONSA-N 405.520 1.435 30 10 HDEE C=CCOc1c(Br)cc(CNC[C@@]2(O)CCS(=O)(=O)C2)cc1OC 1308407528 NEVSEJJMRCDGBY-INIZCTEOSA-N 420.325 1.662 30 10 HDEE C#CCOc1ccc(Br)cc1CNCC1(S(=O)(=O)N(C)C)CC1 1308524487 YKCIVALLGNHUBH-UHFFFAOYSA-N 401.326 1.975 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1314105722 FKBCQKPGRDPYOR-UTKZUKDTSA-N 419.526 1.866 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1314633087 CWVWICBJEHSHML-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1314682667 VNKWMNSQEQMVTJ-ROUUACIJSA-N 413.503 1.785 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)(C(=O)OC)C1(C)C 1320516878 UVWAMTLZIJDXLF-ZDPZECHZSA-N 413.474 1.774 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC)C1 1321457671 WBNXRIJYUOONOE-MRXNPFEDSA-N 406.508 1.776 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@H]2CCCO2)CCO1 1327188374 AITDXRJFGVCHHH-QZTJIDSGSA-N 424.509 1.360 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)C(=O)OC 1339753813 JJBPKMVAEFBYGY-OAHLLOKOSA-N 413.455 1.897 30 10 HDEE Cn1cc(Br)c(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1=O 1358456771 NHZFGFGSBKHLFS-UHFFFAOYSA-N 416.279 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(CS(C)(=O)=O)CC1 1358870688 RCYDSTKAFFHUAE-AWEZNQCLSA-N 409.556 1.479 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1358938097 QKPBSBYTTSXBOH-UHFFFAOYSA-N 417.473 1.597 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1358958700 UFDUGVUURUNQAL-KRWDZBQOSA-N 400.504 1.990 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1358969102 GYLDHNGPXROIIJ-OBZTUIKSSA-N 423.542 1.547 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC 1358985343 WOOGOAZYZITJEG-INIZCTEOSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCN(C(C)=O)C1 1358986569 ZMDWKPOITHJTHY-UYAOXDASSA-N 415.538 1.724 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1359009310 MMVNREJDUYSNPU-QGZVFWFLSA-N 415.519 1.048 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCS(=O)(=O)C1 1359021431 OLFLVISSTVTKGF-AWEZNQCLSA-N 423.926 1.514 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(C)C)CC1 1359034636 YNCRFCBSFIQHNW-UHFFFAOYSA-N 419.533 1.993 30 10 HDEE CC(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359461076 KVISHWQGQGRWMZ-QGZVFWFLSA-N 407.478 1.605 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ncc3c(F)cccn23)c1 1434893103 BSGJTDLTJNESJH-UHFFFAOYSA-N 406.417 1.960 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)c1 1441767185 QPYUXMMYNKRCIM-VGSWGCGISA-N 415.490 1.825 30 10 HDEE N#Cc1cn(CC(=O)N2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)c(=O)nc1O 1442919605 GOPACVCBCDLRJV-CYBMUJFWSA-N 424.392 1.416 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)s1 1444210332 OTPKQCBYDULMTE-KGLIPLIRSA-N 413.565 1.518 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)CN(C)S(=O)(=O)N(C)C 1451171120 BBASDKRSXIGREP-UHFFFAOYSA-N 406.302 1.691 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CC[C@](O)(CC#N)C3)ccn2)CC1 1452255676 YNBSLLSFMVXYGW-OAQYLSRUSA-N 415.494 1.629 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@]2(CO)CCc3ccccc32)s1 1452771767 KVNLAEGXRWSKRS-HXUWFJFHSA-N 420.556 1.748 30 10 HDEE C=CCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1456079699 BGPLAJPVIAMGTR-KSZLIROESA-N 406.504 1.893 30 10 HDEE Cc1cccc(-c2noc(SCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)c1 1456207258 GSGTVCAEQCBVNG-KSSFIOAISA-N 418.500 1.534 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1469156509 BNIOYBHTOKISNY-CRAIPNDOSA-N 410.478 1.173 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 1469510747 ZGZJOMAFQVGWQX-KDURUIRLSA-N 415.556 1.876 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)O2)CO1 1469730085 SBGQSCQKVTZETA-YTMVRGIBSA-N 408.499 1.771 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 1473746412 HEBXYZMPHRFVRO-UHFFFAOYSA-N 421.563 1.814 30 10 HDEE COc1c(F)cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1F 1475099665 HWPLBPAFTBZSDX-LLVKDONJSA-N 409.418 1.534 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)C1 1475893763 NHCCZHCFMGTLQK-UHFFFAOYSA-N 407.492 1.472 30 10 HDEE C#C[C@H](NC(=O)Nc1[nH]nnc1C(=O)NC1CC1)c1ccc(Br)cc1 1477202883 PHXKYOUOASOVSG-LBPRGKRZSA-N 403.240 1.955 30 10 HDEE C=CCN1CCC(NC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1477805105 BXGCVFWJAQLJFI-UHFFFAOYSA-N 413.566 1.834 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493953631 ZEZATSDGMGQPMY-NHWLHPCLSA-N 400.483 1.545 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1503052466 SDSGEGDOVSPNBS-PSEQUABUSA-N 402.499 1.966 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1503784569 YBCLYXIEIRJSLT-GOSISDBHSA-N 421.505 1.448 30 10 HDEE COC[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504701476 XGKSYZBJOQIUCQ-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1 1507589640 YBPFFFWHBSWGHP-GOSISDBHSA-N 417.535 1.661 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1507592759 YHJVZULTTWYFOE-DLBZAZTESA-N 400.527 1.775 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C)n(C)c1=O 1507621700 WLJQLKRSNJJLEV-UHFFFAOYSA-N 401.474 1.641 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1507641497 AGYVOVXPDOOYAH-HOTGVXAUSA-N 413.503 1.137 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1507669779 RGLAFGILHOKTNO-UHFFFAOYSA-N 420.521 1.003 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN(C)C)c1 1507672772 GYEZRKNUIOCZSQ-UHFFFAOYSA-N 418.545 1.973 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1507732652 IXDSBBDSQANYSJ-KDURUIRLSA-N 404.559 1.069 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1507777986 BWRWTSNVBLTOHN-NEPJUHHUSA-N 422.349 1.412 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507824259 YZKWBTYVUKGBOE-LJQANCHMSA-N 416.507 1.517 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507935613 SKBXKVYQFDHJNL-JKSUJKDBSA-N 402.499 1.611 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1 1508425976 CZWNYTDPNFNZFO-DNVCBOLYSA-N 405.572 1.434 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCCO1 1512418598 GMEMRLYXOMMOQY-WBVHZDCISA-N 415.519 1.867 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1513789165 BIOPBYLQWOECLN-QGZVFWFLSA-N 402.524 1.630 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1516733045 KZOOGSWKXFWSGR-IBGZPJMESA-N 424.505 1.681 30 10 HDEE COCC[C@](C)(C#N)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1525605833 CCFZWGBNZWJYGW-IFXJQAMLSA-N 406.487 1.899 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1N(C(=O)OC)C2 1532869857 UUEAPLMSPNWKRD-UMVBOHGHSA-N 401.423 1.555 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCCN(C)S(=O)(=O)CC 1539154140 HGNBZLMECSZYCX-UHFFFAOYSA-N 405.524 1.695 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](F)COC 1539258205 UFIADGZAKYWKOB-HNNXBMFYSA-N 418.498 1.296 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539627183 ICAUSKGOZDYDBY-VYDXJSESSA-N 420.539 1.586 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1540069387 OABQGHRYWRFRTP-CQSZACIVSA-N 401.467 1.926 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540855064 WWGCWWCQMCLQTO-LSDHHAIUSA-N 404.448 1.649 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2c(F)cc(F)cc2C1 1540869010 ZEXKKWPBHZPFRI-UHFFFAOYSA-N 411.416 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1540904539 NQGMQXCQUTZNQA-GOSISDBHSA-N 415.519 1.507 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1541800150 VCKZCNNXSKJHBE-OAHLLOKOSA-N 416.507 1.616 30 10 HDEE NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1542854468 DDBZLKXYPTWSOV-FPYGCLRLSA-N 401.369 1.791 30 10 HDEE C[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)CN1CCN(C)CC1 1542935646 HGDOKHFGYAOJER-CQSZACIVSA-N 409.328 1.699 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1544797036 UONVCTIMANVUQE-PLGXQAJASA-N 409.494 1.902 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1555802617 MSRWEEKKOUJWOY-YJBOKZPZSA-N 413.519 1.829 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)[C@H]1c1ccnn1C 1556071935 XFPHTQHFBSZODL-NRSPTQNISA-N 423.473 1.180 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCCN2C 1556314482 LTELHYYBNNYOOI-CYBMUJFWSA-N 400.460 1.692 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1557082710 WLBZEHDXNGMRLO-IRXDYDNUSA-N 402.344 1.821 30 10 HDEE CCOC(=O)c1ccc(CS(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1561104986 GXQRHXTWSKJVKQ-UHFFFAOYSA-N 414.487 1.782 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1C#N 1561815344 FMPIFQLZJTWRCX-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)n1 1562561923 IEJWDDUODBKHGZ-KRWDZBQOSA-N 418.523 1.743 30 10 HDEE COc1cc(N)c(C(=O)N2CCC(C#N)(c3ccccn3)CC2)cc1S(C)(=O)=O 1568128285 SPFPKCPLJIDSRD-UHFFFAOYSA-N 414.487 1.773 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1584359316 PTABVCDURJMZTF-AWEZNQCLSA-N 401.488 1.882 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1587556366 NTDLPEWIIFZFEZ-CQSZACIVSA-N 416.507 1.208 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1587651834 SAJAOSBZGJEOSC-OAHLLOKOSA-N 404.474 1.878 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588074577 OYQBJAOXLADPLJ-QGZVFWFLSA-N 406.483 1.629 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1588261951 AOICJIUSRCEXJY-UHFFFAOYSA-N 414.901 1.815 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1NC(=O)CC1(C)C 1588673687 XETXLBGZTSUYKZ-INIZCTEOSA-N 401.536 1.931 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN2CCCO)CC1 1594229376 MBWSGMVSWZZVDQ-MSOLQXFVSA-N 402.543 1.478 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1595537002 KYFRGQLHINKBAY-WBVHZDCISA-N 412.469 1.664 30 10 HDEE CC(C)[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1596830884 GAQMEQUHGYNKMA-QKPAOTATSA-N 410.544 1.424 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1603144480 CAHPXJDTGUKLSO-NCOADZHNSA-N 409.556 1.980 30 10 HDEE C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612948936 RBAWSZRFIWTDID-UONOGXRCSA-N 419.507 1.697 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1616184876 DCIISMCDKMOYDF-OAQYLSRUSA-N 416.526 1.716 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1618806820 FCIYCCKVLOWMRY-UHFFFAOYSA-N 412.556 1.658 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCC(C#N)CC1 1620168024 TZEBAMMFXSQZQI-MRXNPFEDSA-N 411.528 1.321 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635200 FSJJLIOAUSXSNA-ZRGWGRIASA-N 418.544 1.747 30 10 HDEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)C(F)(F)F 1626069721 HGMBLSHNLSEOAK-IAQYHMDHSA-N 419.425 1.387 30 10 HDEE Cn1nc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1C1CC1 1626716590 ZPAPBJDCLKWCAX-QGZVFWFLSA-N 406.446 1.691 30 10 HDEE COCCN(CCC#N)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1626868237 MUTVMKNWCUKGAQ-HNNXBMFYSA-N 406.487 1.852 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@H](O)C(=O)OC)CC1 1632298891 UQUICJOVJHSQRT-KBPBESRZSA-N 404.891 1.795 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(Br)cc2C)CC1 1632961318 VRWAVTRLDOTBCG-UHFFFAOYSA-N 414.325 1.291 30 10 HDEE C=CCN(C(=O)c1nnn2cc(C)nc(O)c12)[C@@H](Cc1ccccc1)C(=O)OCC 1632981073 LOXLVVKAGPDEMN-INIZCTEOSA-N 409.446 1.941 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)C1 1633662508 NROCZYOFYJRRIR-AVGNSLFASA-N 418.416 1.663 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1636699184 DOYYFTRYKMOGTC-CABCVRRESA-N 408.476 1.067 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1637758603 VVXDUFFOIISUSJ-MRXNPFEDSA-N 409.508 1.186 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1638136851 IEVLKFHZCHCUDY-QGZVFWFLSA-N 420.485 1.980 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1C 1640916645 SWYIKZDUAORLAF-FQEVSTJZSA-N 415.515 1.988 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCCOc2ccccc2F)c(=O)n1C1CC1 1641347365 RPUNNICZMOINNZ-UHFFFAOYSA-N 400.410 1.249 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 1641574799 RNQWCGBQJLCBAR-MRXNPFEDSA-N 422.890 1.551 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)c1 1642914089 ZWVHMVMCWGEHEL-UHFFFAOYSA-N 403.548 1.336 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H]2CCCCCN2C(=O)OC(C)(C)C)C1=O 1646547521 JUZQVRQSQLXUBP-CQSZACIVSA-N 422.482 1.259 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(NC(=O)OC(C)(C)C)cc2)C1=O 1648061389 XEMXKPRCBJMKCC-UHFFFAOYSA-N 416.434 1.627 30 10 HDEE C#CCOCCN(C)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1648263949 BRNVMXZZLXLGBF-UHFFFAOYSA-N 407.264 1.934 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nn(CC)cc2C(=O)OCC)c1 1653443157 BBJNBQVDKBNHFJ-UHFFFAOYSA-N 406.464 1.796 30 10 HDEE C#CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1659142665 QHENHIQUBDTBOJ-IAGOWNOFSA-N 419.547 1.768 30 10 HDEE Cn1cc(Br)c(=O)c(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1668686333 GITDGJBEVLDAJA-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(Br)c(C)cc2Br)C1 1672001720 UICPLUAZTMEXKZ-UHFFFAOYSA-N 409.099 1.889 30 10 HDEE CCS(=O)(=O)CCOc1ccc(S(=O)(=O)NCC2(C#N)CCOCC2)cc1 1672126507 ASQBXTBFIADFHO-UHFFFAOYSA-N 416.521 1.099 30 10 HDEE C#CCOc1ccc(CNC(=O)NCC2(N3CCOCC3)CC(OCC)C2)cc1 1672303417 YOEDDYXKFSKJSH-UHFFFAOYSA-N 401.507 1.768 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc(C(F)(F)F)cs1 1680596092 XJWFMANAXAIYIE-VYUIOLGVSA-N 408.427 1.803 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1681433417 GYKOHYQTZIZHTE-PWSUYJOCSA-N 416.404 1.997 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@H](NC(=O)NCCn3cnc(C#N)n3)[C@H]1C2 1682196844 JEUJFMAYXFJRTI-QLFBSQMISA-N 403.487 1.627 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1686083704 DESWJNXFMZWBPR-ZWKOTPCHSA-N 412.494 1.547 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1689852669 IWXAOESVIHBGPB-KBPBESRZSA-N 415.585 1.211 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(C(N)=O)CCOCC2)c1 1689872326 VBEYMEOACPWGAV-UHFFFAOYSA-N 424.505 1.179 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1689875160 LHDGMDRIOYJHOK-DLBZAZTESA-N 421.505 1.786 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1689922043 ACGMBJCHQJSPPT-KRWDZBQOSA-N 411.462 1.429 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1689988000 HILGVHWPOXPZLE-HYVNUMGLSA-N 420.514 1.444 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1689994215 UFCPBINCYONKBD-GOSISDBHSA-N 416.551 1.603 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1690012249 WREXKUSRHYIGCS-UHFFFAOYSA-N 414.473 1.088 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1690018231 YBRHUVOSQKCHQF-LJQANCHMSA-N 416.522 1.457 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(N2CCOCC2)CC1 1690043352 YFEBYKRVUMVLOK-UHFFFAOYSA-N 404.518 1.976 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1snnc1C 1690094114 SNWWXPPNWJDPDO-IBGZPJMESA-N 420.539 1.613 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)N(C)CC)CC1 1690131926 ARLGNBCCDBKYFV-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1690138286 XUQJJMZJEDBNBT-UHFFFAOYSA-N 404.478 1.386 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C)no2)CC1 1690142500 PABFBRZEFUEQSW-UHFFFAOYSA-N 406.450 1.046 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@H]2C1 1690156373 WNNVEZBQZOPJTP-QGZVFWFLSA-N 420.583 1.084 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690166103 UZGALHSCVNYNPT-KRWDZBQOSA-N 407.503 1.397 30 10 HDEE C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690298130 QGMPWBSOPDAKJS-NRFANRHFSA-N 420.558 1.153 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1690669622 KHHCBVSKUOOJBN-UHFFFAOYSA-N 410.526 1.698 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1690715983 ZEUFJPZCIPYPQK-HNNXBMFYSA-N 410.462 1.717 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1696288296 UPVVXZTZYLRUEH-YWZLYKJASA-N 418.448 1.740 30 10 HDEE CN(C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1696571755 ZMUIIOKBHXBQFY-WMZOPIPTSA-N 416.526 1.692 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCc2ccccc2)CCO1 1698492243 ABMWJYFPRGHMAE-SJORKVTESA-N 412.519 1.891 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705491818 IKSQXRINGSHABP-UKRRQHHQSA-N 423.564 1.588 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1705493728 NCFXESPUJZJAGV-CRAIPNDOSA-N 417.535 1.934 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1705560919 OKFTUYMKYAJHOW-OXJNMPFZSA-N 419.551 1.039 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](COC)OC 1705669849 YYNBGVYXWHXLKH-IOMROCGXSA-N 406.527 1.972 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705738923 PBLKDAWUWYCCFD-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705945769 RLWAVVBHEHSKOP-KURKYZTESA-N 407.584 1.858 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705947355 IRTZRPHXHHOQIA-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@](C)(C#N)C1 1706658449 NXGUFJCASZZXEX-CRAIPNDOSA-N 410.544 1.587 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1706936276 PRSOHZFZXOBFOR-HNNXBMFYSA-N 413.526 1.559 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1712151215 HKNCVNQPCGVUIZ-IRXDYDNUSA-N 419.507 1.101 30 10 HDEE COCCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1712308224 BKCHHXGCDZHBPU-AWEZNQCLSA-N 412.560 1.691 30 10 HDEE COCCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1712377094 ZDQPEYZNQMNYKL-HTXNQAPBSA-N 411.466 1.339 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)CC1 1712882296 AEBRBEVMSNDEJA-UHFFFAOYSA-N 413.526 1.447 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722276037 GPFQCJJXAYLXDZ-HNAYVOBHSA-N 410.540 1.355 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1722296377 PHRQVUUVXVIYCU-OKZBNKHCSA-N 407.584 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1722297086 XDZDBQHWFDPGML-RCCFBDPRSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(CCC)C(=O)C1 1722317392 FMMWCLLKNOGNCL-UHFFFAOYSA-N 400.527 1.653 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722359254 REXRFKGZXUXEOR-DLBZAZTESA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1722376815 DITLVRWYYLALCT-UHFFFAOYSA-N 413.489 1.256 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCC 1722396228 HDHYVRGPOYTHKT-OALUTQOASA-N 417.579 1.518 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722538895 ZTYCEKIZFHJSJK-DYESRHJHSA-N 421.542 1.613 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722630645 MGFNNIHBAMXLAU-MRXNPFEDSA-N 413.544 1.240 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722697287 JJBLYVARJTVJSA-AWEZNQCLSA-N 401.540 1.797 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@H](C2CCC2)C1 1740567502 SBHCVHYMZBOWBH-SJLPKXTDSA-N 423.583 1.945 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740655796 JPUFIGCVOHUJOQ-RTBURBONSA-N 413.522 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCSC1 1740687145 SJBKSDODPJYFTB-HXUWFJFHSA-N 404.511 1.962 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCSC2)CC1 1740693881 PVJXBEUGQSWVGE-NRFANRHFSA-N 413.547 1.577 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740714224 XNEFTMMKVRKTEK-KRWDZBQOSA-N 415.519 1.271 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCN(C)C1 1740723981 XBAGTHNSGPCNML-RTWAWAEBSA-N 402.543 1.255 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740782367 PTVFJHIMUHHBIO-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1740817948 ZCWNLFZXVFMSIG-HOCLYGCPSA-N 424.933 1.749 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC)C1 1740843299 DKWGUUUQKPBZKV-UONOGXRCSA-N 413.544 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCC(F)(F)F 1740990134 JQLIQCNGZICNLE-UHFFFAOYSA-N 404.418 1.725 30 10 HDEE Cc1cc(NC(=O)CN2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)no1 1742144234 XWESFKBIDFZMQG-UHFFFAOYSA-N 410.438 1.157 30 10 HDEE CCN(C)C(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1745898125 QDROQPYUWUGGSV-OALUTQOASA-N 408.478 1.239 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(F)(F)F)C[C@H]1O 1748333065 JXUPTFXMERRTCR-ZIAGYGMSSA-N 409.368 1.739 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1748712024 DBDOAXBLSMYDTJ-GOSISDBHSA-N 411.510 1.310 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1748721282 GYRNBOQCJFGOAY-KRWDZBQOSA-N 416.551 1.538 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC[C@H](C(F)F)N1CCOCC1 1748794170 XPKWEFPVENDUNT-QGZVFWFLSA-N 404.465 1.689 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748801709 DVERKVFDMFEUGR-QINHECLXSA-N 410.584 1.999 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1C[C@H](C)O[C@@H](C)C1 1748825832 GPCZBGDENFGGIL-JYJNAYRXSA-N 407.540 1.165 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(OC)cc1 1748844071 NSPVEAFPOGARPH-LPHOPBHVSA-N 407.474 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCC1 1748863708 DSQOACSRAFITPN-HNNXBMFYSA-N 409.581 1.637 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1c(CC)nn(C)c1CC 1748959243 PZHAGSFWYGUHFT-UHFFFAOYSA-N 408.510 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1749119050 MQIIGAIRPHJEEM-WDSOQIARSA-N 421.542 1.652 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1749406221 DXUHPGDBSCMGBF-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749667236 VFBBLRBDKSLCRU-KKSFZXQISA-N 412.494 1.335 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCc2oncc2C1 1749681061 WEVHAKGKOKVKEK-UHFFFAOYSA-N 424.461 1.719 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CC[C@]2(CCOC2)O1 1749925034 LLSPFUCGQGWJDT-WOCWXWTJSA-N 407.515 1.936 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750994959 DQADUAXPITWBFT-HNNXBMFYSA-N 423.525 1.132 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1760095926 BZDOYTBCFKXMSV-CQSZACIVSA-N 416.507 1.351 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760150556 IMNBSCYFDVHREP-MRXNPFEDSA-N 417.535 1.885 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760157064 CHEFJBPSVBAJLL-FQEVSTJZSA-N 411.554 1.712 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760178599 TWWIHISXCRCGAK-QZQOTICOSA-N 420.473 1.761 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1N1CCOCC1 1760218701 LNFOMLFGYSZIHS-FQEVSTJZSA-N 420.517 1.525 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C 1760485295 YDERPPQGMLYYFH-INIZCTEOSA-N 400.458 1.649 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760515678 FTTOWGDHHRLMGR-DOTOQJQBSA-N 401.515 1.888 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NCC)CC1 1760562237 BVCRSGDTWAGZFY-UHFFFAOYSA-N 415.567 1.517 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760594322 CRROXCYGHNZKSJ-LAUBAEHRSA-N 411.485 1.964 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H]1C[C@H](F)C1 1761483163 SXGUGKLMTYYDPK-WFGGJUAMSA-N 402.471 1.468 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCSCCCO)CCN1C1CC1 1771537030 GNNUSKXWFRHQPZ-GOSISDBHSA-N 413.551 1.632 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCOCC2)CCOC1 1772844886 LLHMJFHKHSEEGF-OAQYLSRUSA-N 419.526 1.600 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)CC2 1848672335 NAZLCAHQRWMYQX-CYBMUJFWSA-N 408.446 1.247 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848955829 UNRLDYMAIRURQH-UHFFFAOYSA-N 417.531 1.770 30 10 HDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCC#CCN2CCOCC2)CC1=O 1850691874 YRJJDRPQHOWTGV-HNNXBMFYSA-N 405.882 1.153 30 10 HDEE N#Cc1ccc(F)c(C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1F 1852051885 MTWYMRIVXCTBJD-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)NCc3cccc(Br)c3)CC2)n1 1852377207 HJPZZALORKWEGT-UHFFFAOYSA-N 415.295 1.549 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CC1=O 1852499356 IBHVMQTWNFAGJO-CYBMUJFWSA-N 401.467 1.743 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1852969775 UNASSRDGLTYAKN-QGZVFWFLSA-N 411.955 1.955 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nc(C)no3)C3(CCCCC3)C2=O)CC1=O 1853890916 MSQJINRBOAWPNP-MRXNPFEDSA-N 415.494 1.286 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C)cc3C)C2)CC1=O 1854317855 PSIVGEIIACMROI-SFHVURJKSA-N 419.547 1.703 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@@H]3CCCN(c4cnn(C)c(=O)c4)C3)C2=O)CC1 1854704059 XTLWGZHBJNQOJD-MJGOQNOKSA-N 413.522 1.166 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCCc4cncc(OC)c43)C2=O)CC1=O 1854816935 POQLWGHCERVDET-IRXDYDNUSA-N 412.490 1.395 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c1 1855722535 AHQQCBFIGQLJGM-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCN(CCC#N)C4(CCCC4)C3=O)CC2)nn1 1856628631 ICCAAFBBFZTYJU-UHFFFAOYSA-N 410.522 1.899 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)CC1 1857043777 XNJLGZKQDHVKLO-VXGBXAGGSA-N 413.393 1.217 30 10 HDEE CN(Cc1cnn(C)c1)[C@H]1CCN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1857220916 ANQYMTQREGGLHX-PMACEKPBSA-N 406.490 1.239 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)Cn3cnc4ccccc4c3=O)C2)CC1 1857222966 YMIIRKKPPNPZJC-KRWDZBQOSA-N 407.474 1.397 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cccn1 1857249743 XFHHVJPNUSUNCW-IRXDYDNUSA-N 406.490 1.965 30 10 HDEE C[C@H](O)Cn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857887003 MAPRLIUHGWRLFV-JTQLQIEISA-N 417.443 1.367 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N(CC)CCC(=O)OCC)n1 1858763009 LNRBTWFNVPJROV-UHFFFAOYSA-N 405.451 1.945 30 10 HDEE CCN(CC)CCNC(=O)c1ccc(-n2nnc(C#N)c2NC(=O)CCOC)cc1 1870155434 NBTJQOQZQGOKHA-UHFFFAOYSA-N 413.482 1.186 30 10 HDEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870349530 QYWQKDVUNXMDDP-INIZCTEOSA-N 424.501 1.377 30 10 HDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CC)cc1=O 1870559825 AEWFWYRPQUOHLX-UHFFFAOYSA-N 403.504 1.398 30 10 HDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCN(CC)CC3)ncnc21 1873562176 QQLYVTMWXHXTDV-UHFFFAOYSA-N 412.538 1.604 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C)n(CC)n3)CC2)CC1 1889275529 XSWKDIKJOWDGJR-UHFFFAOYSA-N 401.555 1.474 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CCCCN2S(C)(=O)=O)c1 1890773969 QBXJNIKCVORFAG-FQEVSTJZSA-N 421.563 1.845 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C#CCN(C)C 1891021987 YXMHTFDCMHSQGO-IRXDYDNUSA-N 408.524 1.001 30 10 HDEE COC(=O)[C@H](CCN=C1CN(C(=O)OC(C)(C)C)CCN1)NC(=O)OC(C)(C)C 1959283543 RNQOFGOUOLDVHO-ZDUSSCGKSA-N 414.503 1.682 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1[C@H]2OCC[C@@H]2[C@H]1NC(=O)OC(C)(C)C 1982297843 IYYADLUAURUNNN-KKOKHZNYSA-N 411.318 1.495 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2012913241 WWOLEGSSZOSNPQ-INIZCTEOSA-N 420.315 1.488 30 10 HDEE CN(Cc1ccc(C#CCN)s1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2039294656 KVZQPWNTUPDBTR-UHFFFAOYSA-N 417.512 1.116 30 10 HDEE Cn1cc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)n1 2074367879 OPGSEESALLPHAT-YPMHNXCESA-N 413.320 1.627 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1nc(CCC)c(S(N)(=O)=O)s1 2154100871 MSUGVAFZKZONQI-UHFFFAOYSA-N 404.333 1.393 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)CC1(C#N)CCCCC1)C(=O)O 2166305978 LEKXHNHYDHLDEF-CYBMUJFWSA-N 403.501 1.748 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N(CC1CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 2174781416 FSDJNFVZAZCNKG-INIZCTEOSA-N 401.529 1.966 30 10 HDEE Ic1cnn(CCN=C2N[C@H](C[C@H]3CCOC3)CS2)c1 2195433985 HDIOFLMGZRBVLJ-ZYHUDNBSSA-N 406.293 1.975 30 10 HDEE CCCN[C@H](C#CP(C)(C)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388602 JFKSSRMZRRJLAJ-CABCVRRESA-N 406.485 1.972 30 10 HDEE CN(C1(CO)CC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267358271 DUMASHOYTHJMQE-UHFFFAOYSA-N 407.750 1.846 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)[S@@](C)=O 2267411522 ZYMNEVFIARTTSI-VKTRGTBVSA-N 407.388 1.401 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CNCCSC2)OC1(C)C 2267467236 MFKCJQKHTHCSLE-LLVKDONJSA-N 404.388 1.031 30 10 HDEE CN(Cc1ccccc1I)S(=O)(=O)N1CC[C@@H](C#N)C1 2280313702 CJEDWGRYHMFGNX-NSHDSACASA-N 405.261 1.813 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](CO)C[C@@H]3CO)c2Cl)OC1(C)C 2281933156 VPVJVLIINHZRCZ-WDEREUQCSA-N 401.721 1.516 30 10 HDEE Cn1cc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)cn1 2282304061 FNHUFKQXENAXER-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CN([C@@H]1CCOC[C@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282330275 XLDKVOAQHNAUCL-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282345044 NLYRWTDJPQNIDE-WCBMZHEXSA-N 415.264 1.637 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)S1 2282350409 MONAUMYHVXAHRN-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282489079 FMMFZOCRQONLEE-CHWSQXEVSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](N)C3CC3)c(Cl)c2)OC1(C)C 2282492768 SRNZFAYPDFAWSK-CQSZACIVSA-N 400.737 1.655 30 10 HDEE C=C(CS(=O)(=O)Nc1ccccc1S(N)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282493615 XAKIZEJHNXNOEY-UHFFFAOYSA-N 402.303 1.263 30 10 HDEE Cn1cc(C(=O)N2CCC(C3(C)OCCO3)CC2)c(B2OC(C)(C)C(C)(C)O2)n1 2282594139 ANKFAIGWWSRIFS-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3OCCCO3)cc2Cl)OC1(C)C 2282837455 UWCAUBBURQWTGK-UHFFFAOYSA-N 423.749 1.742 30 10 HDEE C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848151 JYRNGWDXUGVXRP-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282870796 XSPZTEYLXDOEGB-NEPJUHHUSA-N 403.737 1.934 30 10 HDEE C[C@@H]1CCNCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871066 AXEZFWUDNXBHDE-CYBMUJFWSA-N 400.375 1.561 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2CC(N)C2)c1B1OC(C)(C)C(C)(C)O1 2282872586 YTTDIDZFHJITQT-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)[C@@H]1C(=O)O 2284394475 YRHAASSJFCPLSD-NOZJJQNGSA-N 401.315 1.449 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC=CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284409934 PCASTWXVYOBJTO-UHFFFAOYSA-N 401.315 1.583 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1nc(Br)nn1CCOC 2307966913 LTXGFUANSWWJGI-WDEREUQCSA-N 402.293 1.603 30 10 HDEE COC[C@](O)(CCCNC(=O)OC(C)(C)C)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172611 BYWBANHNEDUYMI-GOSISDBHSA-N 405.513 1.065 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C#CC(C)(C)S(C)(=O)=O)C[C@@]12CCCOC2 2365185039 HCBAIHDLVNLWSQ-MOPGFXCFSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367784109 AQRKJPQUQBVYQM-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367803774 NEPGXLOPRAXGLG-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE CC[C@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367817119 RHBYROYUMWKBHE-KXBFYZLASA-N 400.541 1.163 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CC(O)([C@@H](C#CC2(S(C)(=O)=O)CC2)NC)C1 2367819863 UAXZRLRVHGDSTK-ZCGYKAAXSA-N 400.541 1.353 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 50555598 XCCRKNHXBKIKPJ-UHFFFAOYSA-N 415.475 1.778 30 10 HDEE Cn1c(N2CCCN(c3ccc(C(F)(F)F)cn3)CC2)c(C#N)c(=O)n(C)c1=O 54369045 GJVTVFCOAZOPFG-UHFFFAOYSA-N 408.384 1.086 30 10 HDEE CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 54882187 XOILDQQVLOCKOV-MRXNPFEDSA-N 406.508 1.743 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)cc1 96504498 GFWTXGSRYRWRBD-LLVKDONJSA-N 415.427 1.975 30 10 HDEE CCCC1=C(CC(=O)O)CNC2=C1C(=O)C1=C(NCC(CC(=O)O)=C1CCC)C2=O 100090380 SNFAGSOLQYPSTO-UHFFFAOYSA-N 414.458 1.996 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(OC(=O)c4ccco4)cc3)n2C)n(C)c1=O 254742703 QBYZJWVUOBIRTK-UHFFFAOYSA-N 422.401 1.229 30 10 HDEE C[C@@H]1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCN1CCO 429133770 ZKSIOVKSDPDQCC-CYBMUJFWSA-N 418.548 2.232 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 434301790 RTHLQMAZAZIJEH-ZFWWWQNUSA-N 419.425 1.654 30 10 HDEE C=CCN(CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 440299041 XJZZPIYSAUKOON-ICSRJNTNSA-N 405.564 1.567 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460568707 YJVCEPLJZRXHEC-UHFFFAOYSA-N 422.555 1.095 30 10 HDEE C=C(C)C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 464522873 ITPSYIKKLWKXBR-UKRRQHHQSA-N 400.522 1.693 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(N2CCCC2=O)ccc1F 465279214 XYMCFGOITPGNKF-AWEZNQCLSA-N 408.437 1.965 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 471844867 MMMKTEIVIXGWNI-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE CCS(=O)(=O)CCCCCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475044618 CQVHGWOMBAKMQN-UHFFFAOYSA-N 413.565 1.470 30 10 HDEE COc1ccc(F)cc1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 476426927 VIAGWDSAACTTLQ-UHFFFAOYSA-N 417.462 1.782 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)CN(C)C 480563796 NNZXHYODDWHWHV-VQIMIIECSA-N 414.531 1.514 30 10 HDEE CN(CCNS(=O)(=O)Cc1ccc(C#N)cc1F)S(=O)(=O)c1cccs1 480677076 CULJRNHDTWRQQA-UHFFFAOYSA-N 417.509 1.499 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)n[nH]1 482819860 CMMLLCPTRVBDJD-MRXNPFEDSA-N 408.506 1.372 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@H]1c1cccnc1 489199766 DOGXHILRGORVKS-QKNQBKEWSA-N 417.469 1.390 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 489835137 DOYDSFBGHUAHIB-TZIWHRDSSA-N 413.566 1.526 30 10 HDEE N#C[C@@H](NC(=O)CCn1cc(S(N)(=O)=O)cn1)c1ccc(Br)cc1 499404363 IRLBTFJVSWCOOP-CYBMUJFWSA-N 412.269 1.064 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 508842714 ZBHQPODXUCHJOT-QFIPXVFZSA-N 419.489 1.577 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n[nH]1 513931757 NJLUWVZJXJIVOL-INIZCTEOSA-N 402.480 1.673 30 10 HDEE N#Cc1ccc(CNC(=O)CS(=O)(=O)Cc2noc(Cc3ccccc3)n2)cc1 518858809 JEYGIXCEOGSONS-UHFFFAOYSA-N 410.455 1.763 30 10 HDEE N#Cc1ccc(-c2csc(NC(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)n2)cc1 525284204 PFFPXFYOAMUPEO-SRABZTEZSA-N 408.439 1.783 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C(F)(F)F 540338838 HRKQIVODFKUBDM-MAUKXSAKSA-N 414.476 1.922 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](C)C1 544839250 PIBAVNCHWBVQOU-UYAOXDASSA-N 414.554 1.922 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 546030016 PCONNSONQSUDDI-UHFFFAOYSA-N 418.519 1.740 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 549692375 SEHQSWJXJYICBS-QGZVFWFLSA-N 423.525 1.654 30 10 HDEE Cc1ccc(C(=O)NCc2ccn(Cc3ccccc3)n2)cc1S(=O)(=O)NCC#N 552781408 CFDQFMJYPNRHCC-UHFFFAOYSA-N 423.498 1.972 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(CC(F)(F)F)C(=O)C1 557692080 JINDLWNKPMLDBK-UHFFFAOYSA-N 408.384 1.384 30 10 HDEE Cc1cc2c(N3CCN(S(=O)(=O)c4cncc(C#N)c4)CC3)ncnc2s1 583350891 YFVHQDYDRAPSJO-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N1CCC[C@@H]1C(=O)NC 606841834 GWCYCUJHRJGEEX-CQSZACIVSA-N 413.396 1.737 30 10 HDEE Cc1nc(CN2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n[nH]1 609880613 YQQGHWHNTWDPDN-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CCN1CCCS1(=O)=O 610615241 VJVQRAVEGIUZGW-INIZCTEOSA-N 408.524 1.298 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)Nc1nc(C)n(C)c1C(=O)NCCO 617886502 GUQWDEOKVGEORB-UHFFFAOYSA-N 415.450 1.129 30 10 HDEE N#Cc1c(NCCCN2CCN(c3ccccc3)CC2)ncnc1N1CCOCC1 675017745 GCFMNMNAFDJNBD-UHFFFAOYSA-N 407.522 1.809 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nccn1CC(F)(F)F 727811226 MGEBTLGHLMULIS-UHFFFAOYSA-N 415.397 1.190 30 10 HDEE C#CCN(CC(=O)NCCOc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 731213723 PMPWPPHFPGHHJX-HNNXBMFYSA-N 418.437 1.323 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCN1C1CC1 732664798 OQFBPDICLLZRLA-FQEVSTJZSA-N 424.526 1.977 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(Cc2ccc(F)cc2)CC1 733890653 IFCJSJXPGXXYNX-MRCUWXFGSA-N 400.454 1.777 30 10 HDEE C=CCOc1ccc(C(=O)NS(=O)(=O)N2CCC[C@@H]2C(=O)OCC)cc1OC 735775519 PJDCYNFKHWUQTP-CQSZACIVSA-N 412.464 1.262 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C[S@@](=O)CCOC)c2)CC1 735868922 XKAHWBCJPFLFCT-LJAQVGFWSA-N 422.551 1.033 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 750132686 CEINBANUNYCGBJ-IAFNSTAXSA-N 402.838 1.478 30 10 HDEE COC[C@@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 758227266 QTCLQJKGTOCFLA-WKSXIXGESA-N 412.512 1.408 30 10 HDEE N#Cc1cccc(N2CCN(Cn3nc(N4CCOCC4)sc3=S)CC2)n1 760550552 DSSJNXSLVYZCMZ-UHFFFAOYSA-N 403.537 1.557 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cccnc2C(N)=O)cc1 763245348 YTLDAQUKKMWUAN-PXLXIMEGSA-N 401.448 1.246 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 768004283 FAIROFYSUFIWMN-DNZUHHBVSA-N 422.482 1.045 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](OCc2c(C)noc2C)C1)c1cc[nH]n1 772549574 SFTMEXAOMDAQBG-AWEZNQCLSA-N 419.438 1.116 30 10 HDEE C#CCN(C(=O)NCc1ccc(Cn2ccccc2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774196115 OWSXKYISTKBVEM-LJQANCHMSA-N 413.499 1.229 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780922371 VMHYIYKBQMUNCS-IBGZPJMESA-N 402.472 1.923 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 787352226 CHOUSAXEUOJKMB-LWGWVAHUSA-N 419.503 1.304 30 10 HDEE CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(O[C@@H](C)C(=O)OC)cc1 789984027 MRAKDMWWWHQKFV-LBPRGKRZSA-N 400.464 1.698 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCc1ccc(F)cc1 790115359 TVANNQCJOJNFLT-UHFFFAOYSA-N 415.453 1.966 30 10 HDEE C=CC[C@@]1(C(=O)N(C)CCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 790701809 KKEYHBHCWNFLIZ-IBGZPJMESA-N 415.556 1.826 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 798070708 ZNWHXOBCNBLRSM-CABCVRRESA-N 418.519 1.023 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1ccncc1)n1cnc(C#N)n1 800334480 DQQCFAGTNPLYAS-ZBFHGGJFSA-N 411.466 1.926 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 914678758 OJXSRIWMMUUSSA-JLJPHGGASA-N 408.476 1.197 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 918970810 ZVZXZGRRCNINHF-MSOLQXFVSA-N 422.503 1.478 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCCC(=O)OC)C1=O 920986568 JKCFFPWZZQCVSY-HNNXBMFYSA-N 402.476 1.969 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)N1CCc2ccccc2C1 1083946144 GPLRABHNJBCIMA-UHFFFAOYSA-N 423.502 1.821 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1 1136872117 FDMIDFXLONOVGH-UHFFFAOYSA-N 412.393 1.750 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)c1 1140982377 WCABOZABMRHXKP-UHFFFAOYSA-N 405.398 1.345 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCCn1nc2n(c1=O)CCCC2 1141824906 VETSSPFFRQEUOK-UHFFFAOYSA-N 418.295 1.764 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)c1 1141948824 CPNANNFSKSFSMQ-PKOBYXMFSA-N 406.360 1.534 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](O)CN3CCCCC3)CC2=O)cc1Cl 1142586074 VFYZKQTXSQMBHL-RDJZCZTQSA-N 404.898 1.528 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C)c(C)c1C(=O)OC)c1cc[nH]n1 1154109635 HUXIBOCWJWJQQR-UHFFFAOYSA-N 402.407 1.736 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1154958972 NALUWUIWIXDWQQ-FUHWJXTLSA-N 416.547 1.354 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1Br 1158515965 HMBMLVKDIIDIJI-IAGOWNOFSA-N 408.296 1.757 30 10 HDEE COC(=O)[C@](C)(CCF)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1171955088 XJSIWHGZZDMCMC-PXNSSMCTSA-N 408.449 1.415 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 1192977337 VUQPRZVYDMWKOL-UHFFFAOYSA-N 409.899 1.018 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 1196623688 SVAQLJJLQHQVQN-CHWSQXEVSA-N 410.565 1.697 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H](CNS(C)(=O)=O)C1 1197574734 WAGADFHKPPHWID-HOTGVXAUSA-N 408.524 1.201 30 10 HDEE CC(C)(C)Oc1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1230678547 FDTMZABCSQQTDE-OXJNMPFZSA-N 405.520 1.986 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286325439 XYGUDCGQDKYEIR-GOSISDBHSA-N 413.526 1.989 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1286363780 RNZTYRZILZYKDZ-NRFANRHFSA-N 403.527 1.253 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1286385352 WUJYRRGOWLQMSL-IBGZPJMESA-N 407.584 1.725 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1286388801 BWDFVLNHYRXBNK-QGZVFWFLSA-N 415.519 1.624 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286398148 GXJWWSVTEGCUQH-QZTJIDSGSA-N 422.551 1.573 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(COC)CC1 1286556901 RXZCHPJFIXSEEW-SCTDSRPQSA-N 401.511 1.993 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1286683186 LHRFHGOUISBPNQ-SJORKVTESA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286793574 HLADTLRJTKRLFQ-CQGGRAHPSA-N 417.535 1.806 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(Cn2cncn2)CC1 1286817631 OMBFUXDJBQTPCO-INIZCTEOSA-N 421.571 1.901 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286831734 KCVHVLSSAOIZHK-QGZVFWFLSA-N 406.600 1.893 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCS(C)(=O)=O)C1 1288977106 JCVLJUSTCNTEGX-GOSISDBHSA-N 420.495 1.180 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCN1CCC[C@@H](C)C1 1293113394 HICDCGQZDRGKNJ-MSOLQXFVSA-N 423.569 1.949 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300308402 OMDQDCQMUZTGQH-RCCFBDPRSA-N 402.543 1.183 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1300578362 LLNJEPWNCWXJCG-MRXNPFEDSA-N 415.519 1.550 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCC1 1300657716 QPAPHKNRGNHZSD-UHFFFAOYSA-N 418.519 1.350 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1c(C)noc1C 1300663937 LHZNJCSEBZVRBZ-CJNGLKHVSA-N 400.483 1.724 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)F 1300830615 HLSABHUYVTWAMJ-SECBINFHSA-N 416.292 1.888 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301155292 LOHQSCJNSBPILY-CVEARBPZSA-N 400.527 1.718 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301173544 HVAFSIQPCSNUSP-VPSFDDGASA-N 411.572 1.842 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1301508160 FNFBGCRCRQYKJL-UHFFFAOYSA-N 424.549 1.864 30 10 HDEE CC(C)CSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303251077 JGEIYIMYPSLNFJ-IAGOWNOFSA-N 417.583 1.795 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1OCCC1(C)C 1303835604 CGRUXLNXTDRLQC-DCGLDWPTSA-N 414.507 1.145 30 10 HDEE CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 1309700936 GGMUZSAZWBSRHC-NVXWUHKLSA-N 407.492 1.397 30 10 HDEE CN1CCC(N(Cc2ccco2)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1327830541 DZKNUUAWEPQBPT-VHEBQXMUSA-N 401.467 1.412 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)CC1 1352701145 SEVTWQKGGGTYSD-UHFFFAOYSA-N 406.490 1.345 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359129619 HSCUPOAURNZTMU-FQEVSTJZSA-N 424.505 1.751 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F)C1CC1 1359251470 LUAXPFNJAGOJOF-CQSZACIVSA-N 419.498 1.811 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359299708 LOWCUQSQHYFHNQ-NVXWUHKLSA-N 416.526 1.317 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1359318626 IZFIJTUEDXCMJQ-SJLPKXTDSA-N 417.535 1.946 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(N(C)C)CCSC2)C1 1359318920 OYLIJQDPNCLBKT-JXFKEZNVSA-N 415.567 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCOC2)C1 1359332289 UKZWEOQIGIHRAM-VQIMIIECSA-N 410.540 1.390 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1cccs1 1359465581 GLNVOXKNVDXIHJ-CYBMUJFWSA-N 403.512 1.504 30 10 HDEE CC1(C)COCCN1CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1360832223 HNKRBIXZYNMTGG-FQEVSTJZSA-N 424.549 1.903 30 10 HDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1439198279 BOHRJQAKXDJTPI-WMZOPIPTSA-N 422.503 1.995 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)CCS2(=O)=O 1439953120 VYIKDQLDNJDUKC-JKGQDXBKSA-N 411.867 1.235 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1444448931 ANJLARJSRUYQPF-HNNXBMFYSA-N 403.483 1.455 30 10 HDEE N#Cc1cn(CCC(=O)N2CCc3ccc(Br)c(F)c3C2)c(=O)nc1O 1455913347 VFISGVMNWLQZGC-UHFFFAOYSA-N 421.226 1.697 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1456083747 ITCDEUVYKVMEJA-GDBMZVCRSA-N 421.906 1.766 30 10 HDEE O=C(CCn1nnc2ccccc2c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1457999311 GMIZFPHZWPXSJN-UHFFFAOYSA-N 421.413 1.086 30 10 HDEE CCc1c(C(=O)N2CCCc3c(C#N)cccc32)cnc2c1c(=O)n(C)c(=O)n2C 1461365204 VJXJBJFOCGBBGM-UHFFFAOYSA-N 403.442 1.659 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464927727 VOIJDVVQCIWHPM-GGNAOWBESA-N 408.499 1.959 30 10 HDEE C#Cc1cccc(N(C)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)c1 1465598948 CQCGHOSTPUBLAH-UHFFFAOYSA-N 413.503 1.813 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2cc(C#N)c(F)cc2F)C1 1467184829 DRZWHAQVBSFOOM-ZDUSSCGKSA-N 416.450 1.741 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1467992252 QUAOAPKUQAJNSS-LMMKCTJWSA-N 410.536 1.377 30 10 HDEE C=CCc1cc(CNC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc(OC)c1OC 1468362099 RWPCRSYODRHKAZ-FQEVSTJZSA-N 424.519 1.531 30 10 HDEE CCn1ccnc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1468475459 GUCLUYHQYFDSFN-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE COc1cc2nc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)c(=O)n(C)c2cc1OC 1469871468 BIMVTGRCZPPLIB-QGZVFWFLSA-N 422.441 1.628 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3c(F)cccc3N3CCCC3)C2)c(=O)nc1O 1470133174 VFFICLCYTVFNKR-UHFFFAOYSA-N 412.425 1.326 30 10 HDEE C[S@](=O)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1471133295 SDVQHDMDAKFOTE-BCOMRZATSA-N 424.567 1.333 30 10 HDEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)[nH]1 1472202942 OSJKMFAFMPYPFZ-AWEZNQCLSA-N 420.210 1.804 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)nn1 1475414651 WKXQYMGVXZDFCL-UHFFFAOYSA-N 402.230 1.613 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 1475974426 UUWHYKCBDNJPMV-OAHLLOKOSA-N 408.480 1.598 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)[C@@H]1C[C@H]1C 1476642067 UYWJADALLFKNLA-RCPOKICQSA-N 416.503 1.850 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N(CCO)Cc1ccccc1 1505351344 PGWKGJOUBADPGF-XUTLUUPISA-N 422.489 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN1CCCO 1507526246 LMEQRHFZQGUJEI-WMZOPIPTSA-N 411.506 1.979 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1507616917 PPAWFSXSWSMRFW-HNNXBMFYSA-N 407.540 1.041 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NCC)c1 1507710923 WYHMYSCBXUSZKB-UHFFFAOYSA-N 419.489 1.619 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(N)=O)CC1 1507744799 WUQLMSUPFRNKEE-UHFFFAOYSA-N 406.556 1.265 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507750434 VDKSPHTWVIHZFS-KRWDZBQOSA-N 400.552 1.863 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1507766118 YNWYXSVHFMLYNO-CWFSZBLJSA-N 423.583 1.822 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507803579 HTPORHIYXPUCKX-GDBMZVCRSA-N 402.499 1.342 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507966440 RHZHSTLYVKFRRV-HXUWFJFHSA-N 407.515 1.190 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1cccc(OC)c1 1508085936 IPGYZJKMYSVBSI-ZWKOTPCHSA-N 424.505 1.882 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1509637277 FZCRTFFGNQKUIU-MGPUTAFESA-N 405.522 1.979 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncc(CC)s2)CCOC1 1516219938 DTNLAZJPGHXOAQ-AUUYWEPGSA-N 418.523 1.726 30 10 HDEE CS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCC(C#N)CC1 1519605807 FQFRMMWPOHTBCU-UHFFFAOYSA-N 416.551 1.743 30 10 HDEE N#CCNC(=O)CNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 1525366893 ZBQZRMCMKUIRHK-ZDUSSCGKSA-N 400.357 1.380 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(-c2ccc(C#N)cc2)n1 1528583395 MVXMEDMWAOSIDG-QZTJIDSGSA-N 405.458 1.750 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3=CC[C@@H](NC(=O)OC(C)(C)C)C3)CC2)c1C#N 1529119011 HTPNBUNOIVYJAX-MRXNPFEDSA-N 414.510 1.862 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 1533848356 BVCUDFNHBRTZDX-LRAJWGHMSA-N 412.494 1.642 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21 1534590805 AHGSEBAFMUDLPN-GFCCVEGCSA-N 401.282 1.592 30 10 HDEE CCOC(=O)C1([C@@H](C)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 1536884900 DNLCOKCMRTZZFR-CQSZACIVSA-N 418.494 1.936 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1539089029 FDXDQECBRRQTAG-UHFFFAOYSA-N 424.571 1.128 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539211675 NDDXPMVETJSGAD-IRXDYDNUSA-N 415.519 1.255 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(OC)C1CC1 1539323664 IJMLQAAJPICNNR-JXFKEZNVSA-N 404.536 1.458 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)C1CCCCC1 1539413786 NZPMZKHLKPONJR-LAUBAEHRSA-N 403.527 1.647 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539998917 SJWSWBWQSHFXDN-QGZVFWFLSA-N 417.558 1.186 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540036847 VNBALNGOZXWKFZ-SJORKVTESA-N 404.515 1.668 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(OC)CCOC1 1540187555 QQFQDJGMNVYKMG-UTKZUKDTSA-N 415.494 1.863 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@@H]4CCCO4)CC3)n[nH]2)c1C 1540347983 IHBGYPZRVLDBRA-SFHVURJKSA-N 412.494 1.539 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1OC 1546579201 HGKNRRNFFNHNLA-IPMKNSEASA-N 424.505 1.583 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2C[C@@H]2CCCN2CCCO)cc1 1555988545 GKHHBHUWRWKUBQ-NRFANRHFSA-N 424.549 1.872 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(N)=O)c2)CCO1 1555993448 OKSAFSWGVGOTNE-INIZCTEOSA-N 423.864 1.869 30 10 HDEE C=CC[C@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)CCCN1C(=O)OC(C)(C)C 1557162681 YQQXYYDMWFJNCO-IIBYNOLFSA-N 408.543 1.911 30 10 HDEE C[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(C(=O)c2ccccc2)c1 1557599839 FDDKSNJCKVNKFS-OAHLLOKOSA-N 416.437 1.971 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1558517892 QZECJUPMKYZJNQ-ZBFHGGJFSA-N 407.341 1.990 30 10 HDEE C=CCOCCCNC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1565080854 GWGZOMYTCZUXNW-UHFFFAOYSA-N 424.523 1.287 30 10 HDEE C=CC[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccncc1 1565780321 IOLWBWKALTUOOL-QGZVFWFLSA-N 408.462 1.549 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3s2)C1 1570833775 LAOBBROYXGRIDD-OAHLLOKOSA-N 423.498 1.521 30 10 HDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CC(=O)NC1=O 1583782467 BRWTUZVWPQWCML-YRZMLANWSA-N 404.467 1.037 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCS(=O)(=O)C[C@@H]1C1CC1 1585562159 BWMIEKALPPDRMM-GOSISDBHSA-N 415.519 1.576 30 10 HDEE CC#CC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)OCc4ccccc4)CC3)[C@@H]2C1 1585656140 KLPMIEMUEAOQMH-MOPGFXCFSA-N 411.458 1.843 30 10 HDEE CCOC(=O)[C@@]1(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCCOC1 1587303051 OTKRFJZMECELGP-OAQYLSRUSA-N 413.478 1.627 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCOC1 1587620766 JVVXYBPLYFWXLY-OYHNWAKOSA-N 422.489 1.284 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1587638112 BQZFAQHWZKSASC-GJZGRUSLSA-N 407.540 1.087 30 10 HDEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C(=O)NC)C1 1587834992 JYPANXXKPMBCIA-SFHVURJKSA-N 404.474 1.858 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1587865156 KVJGIEUMELHGGL-IBGZPJMESA-N 411.506 1.632 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nccn1C(F)F 1588012047 TVFJJFPBDLUDJA-UHFFFAOYSA-N 405.434 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1ccc(S(C)(=O)=O)cc1 1588149399 QRUHHTNAESUQHR-UHFFFAOYSA-N 419.510 1.789 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1CC 1588637751 KEMJEFIOAFFFGN-QGZVFWFLSA-N 413.526 1.222 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1593696687 VPGYVQWAPYIBGG-INIZCTEOSA-N 404.515 1.761 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1595196659 ZYJPCORFPWJRTJ-UHFFFAOYSA-N 400.508 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1595755359 WTTKYYDXOYENEC-UHFFFAOYSA-N 420.539 1.245 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cnn(C(C)C)c2I)C1 1595791027 VVDBRYLJMLSOSH-LBPRGKRZSA-N 400.264 1.896 30 10 HDEE Cc1nc(Cc2ccccc2)sc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607490425 XDOAQYMWNAUWQX-UHFFFAOYSA-N 407.455 1.873 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)cc1C 1612144349 FLBFDSBALLIAMU-KRWDZBQOSA-N 419.507 1.247 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1612877409 BAQXZQYZFBCKLS-NYHFZMIOSA-N 420.473 1.984 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)c2C#N)C1 1618706261 UCKLKZHULZSJEN-OLZOCXBDSA-N 403.382 1.809 30 10 HDEE CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)N1CCN(C(=O)CC#N)CC1 1622395935 NMSONHMZSIHWOB-UHFFFAOYSA-N 400.460 1.409 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1 1624728569 RXGDZGNPGPHUNG-MRXNPFEDSA-N 412.471 1.227 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 1625284366 IKTCBUYLQPUNDM-PZJWPPBQSA-N 416.474 1.538 30 10 HDEE C=C(C)CN1CCC(NC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)CC1 1626856792 ODAWFDJXJPYAFK-UHFFFAOYSA-N 418.494 1.760 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(NC(=O)c3ccc(O)nc3)cc2)CC1 1627412171 CTWHWMLOAWVVRO-UHFFFAOYSA-N 408.414 1.958 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C[C@H]2CC[C@H]1C2 1628339381 CPPTZZUMQKNRBX-YZVOILCLSA-N 418.475 1.758 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2(C#N)CCC2)cc1 1630198186 IFOKLOQJVRFWPF-WMZOPIPTSA-N 405.520 1.744 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1630345402 WZNFVELIMFUKCB-XOKHGSTOSA-N 407.492 1.500 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(OC)(OC)[C@@H](O)C3)ccc2c1=O 1630772268 WEJXHWMSKMQQPT-HNNXBMFYSA-N 405.476 1.067 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 1630917889 FZOZNNJZFBRZGZ-HXUWFJFHSA-N 406.486 1.437 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN([C@@H]4CCOC4=O)CC3)n[nH]2)c1C 1631262899 ZGLNXKSLJFYGLE-GOSISDBHSA-N 412.494 1.586 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1632250689 WCUKEZKQJGFTSM-IRXDYDNUSA-N 421.542 1.147 30 10 HDEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1632336977 VVTQCAUBJUXHGO-ZDUSSCGKSA-N 419.482 1.362 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)C1 1634554711 GYHZXFZRPUXJKJ-HKUYNNGSSA-N 403.548 1.935 30 10 HDEE N#CCc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1636450580 FGZHIVCWQHYNGQ-SFHVURJKSA-N 408.458 1.876 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCOc2c(OC)cccc21)c1cc[nH]n1 1636965741 NRJGZZRNVFXJRC-CQSZACIVSA-N 416.434 1.732 30 10 HDEE C=C(CO)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1640936140 NNXJLBLZHMEVBB-JSGCOSHPSA-N 404.360 1.746 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1c[nH]c(C#N)c1 1641023903 JHJUJIRZAAKTTJ-STQMWFEESA-N 414.384 1.880 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1641745433 GEBPEGAJFMRWNN-OAHLLOKOSA-N 402.428 1.330 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 1642870482 QTYMHJWPHSFSGH-OAHLLOKOSA-N 401.448 1.829 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCN(C)C)c2cccnc2)cc1 1646016460 GAMKVSXNSIYWGP-LJQANCHMSA-N 400.504 1.416 30 10 HDEE C#CC1(O)CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)CC1 1646157595 XTVIHDNLDZXTKL-UHFFFAOYSA-N 415.309 1.104 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NC2CCN(CC#N)CC2)nn1 1648544756 AVYHKWXYBPBQHX-UHFFFAOYSA-N 405.503 1.301 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)c1 1648792919 DDQVAXBYGOMPRG-UHFFFAOYSA-N 411.439 1.504 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2cccc(CC#N)n2)C1=O 1650946214 NSMHAACYZUZZMV-HNNXBMFYSA-N 401.467 1.849 30 10 HDEE CCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(C)cc1 1653760045 PTWVZNRREUVWPD-UHFFFAOYSA-N 404.430 1.574 30 10 HDEE C#CCOc1ccc(Br)cc1CNCCS(=O)(=O)N=S(C)(C)=O 1658624099 GXJTZNLIHCOSQW-UHFFFAOYSA-N 423.354 1.608 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@H]1C(=O)NCC12CCOCC2 1660347403 NWUIYYINWNDPPO-KDOFPFPSSA-N 402.520 1.904 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)CCOCC1 1666221878 LAWDUBNANAZMLN-UHFFFAOYSA-N 418.512 1.827 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1C#N 1676035721 VUHGVMPNXDYDKY-UHFFFAOYSA-N 420.520 1.219 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCCN(C2CCC2)C1 1681273352 MZVCYRUQCPKWOY-ZIAGYGMSSA-N 400.483 1.040 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1682352604 PZMQQMZYAVICBM-QGZVFWFLSA-N 401.492 1.119 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCc3ccc(C#N)c(F)c3)no2)cn1 1683174712 CGPNYLSQGQQCRX-INIZCTEOSA-N 411.397 1.764 30 10 HDEE C#C[C@H](NC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1683680307 BPFUBDCUYFSPDE-CABCVRRESA-N 414.325 1.799 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCO1 1683704262 WUEAAHLUPYFLIX-LJQANCHMSA-N 400.479 1.496 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3cc(=O)n4ccccc4n3)C2)nc1 1683711164 GMYXKPRYZRIKNN-MRXNPFEDSA-N 403.446 1.747 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCc2nc(C(F)(F)F)no2)CC1 1683795676 FUWCZPXZCNXZKB-UHFFFAOYSA-N 411.344 1.857 30 10 HDEE Cc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1C#N 1685193800 XTFRRJNEBBORCO-GOSISDBHSA-N 406.508 1.203 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1687889089 MCYJQZYVPYDEEQ-SFHVURJKSA-N 404.536 1.118 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1689892569 IJFVLKZIGNUKHV-SJORKVTESA-N 409.556 1.793 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2cc(C)no2)CC1 1690142302 KZGSNFWPQAIIMM-UHFFFAOYSA-N 405.462 1.651 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCOC1 1690154988 CBOVNDKVFFXYFL-GJZGRUSLSA-N 415.585 1.118 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 1690411327 JYARXXZZURSAFF-LPHOPBHVSA-N 410.540 1.388 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1690526727 CTLJJLWRLCZTLH-MGPUTAFESA-N 423.514 1.360 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](SCC)C1 1690659541 WFQALWWIZBEZOG-OAHLLOKOSA-N 408.572 1.831 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1693854158 CPZDTUADBUQJBV-YWZLYKJASA-N 415.519 1.822 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1694782662 WATIIHIMRIXMCE-ZWKOTPCHSA-N 410.478 1.337 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1698318303 YFJFDQBXTOGIKK-OAHLLOKOSA-N 424.914 1.267 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1705476859 GGFGQGAVIALAMD-HUUCEWRRSA-N 423.514 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1705477770 RSQZGKNJGHRJHG-GJZGRUSLSA-N 405.524 1.793 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705566716 PQTZTHNHCOPRFA-MSOLQXFVSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1705567336 WTYFZUUXWDFEKU-SFHVURJKSA-N 405.568 1.658 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1(O)CCOCC1 1705575832 ZOISZALOZHATIY-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCn1cc([C@@H]2CCOC2)cn1 1705582340 ZCNJCYSBAOAWAC-QUCCMNQESA-N 408.506 1.993 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCc2ccccc21 1705601144 ZMLDTBFGJIXDME-XMMPIXPASA-N 417.513 1.697 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1705604830 UWPIRNXCAWXVLH-HNNXBMFYSA-N 405.524 1.599 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)COCCO1 1705624834 QLQOPGMMKNZPLM-OAQYLSRUSA-N 414.462 1.565 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1705752647 BWWQHNYCEKUAIV-HUUCEWRRSA-N 405.890 1.776 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCCC2)CC1 1705895142 VKSMLYFKJUGVRU-UHFFFAOYSA-N 417.558 1.173 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCC(C)(C)C)CC1 1705900619 KAPKHGZMBKYRPA-UHFFFAOYSA-N 414.558 1.539 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705901181 DBUVCJQBECJRET-UHFFFAOYSA-N 401.515 1.184 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)CCS1 1708182336 HVQUPOHMXNFBDY-AWEZNQCLSA-N 422.518 1.912 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1711152774 BDCBPLFGWGMPLT-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1712582455 MNGSGGFQDHSAPU-SFHVURJKSA-N 421.461 1.537 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CC(=O)NCc2ccco2)cc1 1712879904 QIHTVSYTTMDZKL-UHFFFAOYSA-N 406.446 1.953 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712882870 OBUSDBNQLLGMLL-QFPXGYFVSA-N 411.466 1.048 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722366440 RQUCIYCVDXHRIZ-IBGZPJMESA-N 401.536 1.740 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369294 XFCRJFLYHRYAHR-DLBZAZTESA-N 424.567 1.962 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCC1 1722405591 NVWJXJPNISSDOG-UHFFFAOYSA-N 416.551 1.921 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCOC1 1722424048 ZIABPXGSDBQMPV-LJQANCHMSA-N 408.861 1.975 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@H]2CCOC2)CC1 1722435848 VJZDQWKRQCJFCE-LJQANCHMSA-N 410.522 1.539 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1722533683 CYVOSFHDYBACHE-KRWDZBQOSA-N 411.510 1.919 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N(C)C 1722679800 MBUPSIQTWQPHQV-UHFFFAOYSA-N 404.471 1.123 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1722687891 RQUYVGRJBDZWNM-UHFFFAOYSA-N 416.511 1.293 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722695717 NKPJTJWODHOIMO-CQSZACIVSA-N 415.885 1.107 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1Nc1ccn(C)n1 1722729594 QEVUTBJGYTYPQZ-UHFFFAOYSA-N 416.507 1.955 30 10 HDEE Cc1nc(CCn2c(CNC(=O)c3cccs3)nnc2N(C)C[C@@H](C)C#N)n[nH]1 1725489372 ALKGBLVMZBFYBB-LBPRGKRZSA-N 413.511 1.535 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCO[C@@H]2CCOC2)C1 1731181176 GTYNVQSGTQGXDS-XLIONFOSSA-N 400.458 1.901 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2ccnn2)CCO1 1731186714 GENOWVLAIAXDHT-KRWDZBQOSA-N 412.885 1.933 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@H](C)C1 1740608622 CCVWNYOSLXIFLC-DLBZAZTESA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740623278 QTPREABALUAQQV-JKSUJKDBSA-N 414.491 1.055 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCSC2(C)C)CC1 1740688310 DAEGGXNBXQMQMI-INIZCTEOSA-N 404.584 1.703 30 10 HDEE C#CCSCCn1c(N2CCN([C@H](C)C(=O)NC3CC3)CC2)nnc1C(C)(C)C 1740723332 PEUNGMXOHISHBQ-MRXNPFEDSA-N 418.611 1.731 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740743064 KSBUYDXUJPRLLG-FRRDWIJNSA-N 423.315 1.100 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C2CC2)CC1 1740839743 ODMLSCHNPDSQQX-MRXNPFEDSA-N 407.540 1.109 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC)[C@H](C)C1 1740963416 KDZKSRPOCMSORH-GOSISDBHSA-N 412.538 1.998 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCCO[C@@H](C)C1 1740992766 NIHXVBJJKJWNQW-INIZCTEOSA-N 405.524 1.480 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1=CCCOC1 1747188602 PGYBYEURTLRISE-UHFFFAOYSA-N 409.494 1.755 30 10 HDEE CNC(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1748266996 FNYZYMVHIIGOAA-SJORKVTESA-N 409.494 1.296 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1OC 1748770698 DLNHUNVRLKYCJP-AWEZNQCLSA-N 421.523 1.218 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC)[C@H]1CCS(=O)(=O)C1 1748824921 TYXZCHWCEYFIQF-INIZCTEOSA-N 418.519 1.902 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)F 1748920230 FTONIIPWOIUTSA-UHFFFAOYSA-N 413.432 1.972 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1nccn1C(F)F 1748965449 RLAQNPBMYBHCPV-UHFFFAOYSA-N 401.421 1.990 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1748983748 BIRZHHWOFDTYSV-WOJBJXKFSA-N 423.565 1.595 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@@](=O)CC)CC1 1748984322 JNWIJRHRDHABTF-NDEPHWFRSA-N 401.536 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)COC)CC1 1749009066 FNMQFFGUOBZHAW-SJLPKXTDSA-N 403.527 1.768 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1749305166 OPZAZUQGDNSPFH-IBGZPJMESA-N 410.522 1.915 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1749355092 FYSYKUHHLZXOHV-SFHVURJKSA-N 422.468 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H]1CC 1749738559 PXPHDVMSNHHMSU-CVEARBPZSA-N 409.556 1.626 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1760183918 DZVKCLWDRGZTIC-KRWDZBQOSA-N 423.498 1.721 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1760210843 XTOPCIXWVVUHBN-OXJNMPFZSA-N 421.567 1.292 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)CC1 1760323104 AQUOIZJVNDPSEH-DNVCBOLYSA-N 416.551 1.941 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1760361194 GWMIOTATRZGVMG-LEWJYISDSA-N 422.526 1.519 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CCS(C)(=O)=O)C1CC1 1760381069 XOILGFABUKUOFD-ZFWWWQNUSA-N 418.947 1.768 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1760460834 DIDFPGSRXXZNDV-LSDHHAIUSA-N 410.478 1.354 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1760594323 CRROXCYGHNZKSJ-UTKZUKDTSA-N 411.485 1.964 30 10 HDEE C[C@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1762934985 DKNBTCWHEIYVIR-DNTCVELPSA-N 407.478 1.779 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)[C@@H](C)CC 1764187030 BJVPOIMDFSYKFK-YYFZDKIDSA-N 406.531 1.722 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1767121522 QILRHLRUGVKRAZ-QTIQAUKSSA-N 423.477 1.687 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnccn1 1768518555 KVCIHJPMSWUJSD-UHFFFAOYSA-N 406.494 1.821 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1 1768585144 IVBAJHUNERBMPH-IBGZPJMESA-N 412.494 1.327 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1snnc1C 1770460307 FHUKTBHVISQKHA-OAHLLOKOSA-N 411.491 1.815 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1850862795 LYAFYSVWBLDITD-AEFFLSMTSA-N 403.910 1.976 30 10 HDEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC#CCN2CCOCC2)cc1 1851972793 IIZFPFJUNRGOLL-UHFFFAOYSA-N 421.563 1.563 30 10 HDEE N#Cc1cn(CCN2CCN(CCc3ccccc3C(F)(F)F)CC2)c(=O)nc1O 1852788063 BGNRKQBECQSYHP-UHFFFAOYSA-N 421.423 1.700 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1C 1853039018 LWMUCQVDYJRDBX-UHFFFAOYSA-N 410.478 1.335 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)N3C[C@@H](C#N)CC3=O)CC2=O)CC1 1853116303 CCRNZPZQNFTUGL-ZIAGYGMSSA-N 404.467 1.133 30 10 HDEE O=C(c1cc(F)c(F)c(F)c1F)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1853334672 RHENBXCMLZZJCX-UHFFFAOYSA-N 423.310 1.398 30 10 HDEE Cc1[nH][nH]c(=NC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)c1C#N 1853397881 MFPQZZIGHWLTHS-UHFFFAOYSA-N 408.441 1.582 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)c2nnn(-c3ccccc3)c2CC)CC1 1853446067 IHIPNXWABQZQFE-UHFFFAOYSA-N 411.510 1.397 30 10 HDEE CN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)CC1=O 1853814659 DEVNXBDPDOFLHZ-HKUYNNGSSA-N 408.502 1.540 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(CCC)on2)C1=O 1854101985 ZZOXVBKBAINEJR-MSOLQXFVSA-N 402.495 1.867 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cncc(N3CCCC3)c2)C1=O 1854194884 WWWHPOSLXNHGQA-RBUKOAKNSA-N 411.506 1.142 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854199209 HRIVXMLDVPZCIV-HKUYNNGSSA-N 419.547 1.723 30 10 HDEE Cc1nc2c(n1CC(=O)N1CCN(Cc3ccc(C#N)cc3F)CC1=O)CCCC2 1854206418 JORWBELNWWGUBQ-UHFFFAOYSA-N 409.465 1.952 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1C#N 1854504404 DRIUNZGYNPPCKL-GOSISDBHSA-N 415.515 1.651 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCCN(C(=O)Cn3cccn3)C2=O)CC1 1854824898 PUCSMXABCHHRJO-IBGZPJMESA-N 406.490 1.937 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)cc1 1855119077 TVMXXBCMKVLRKI-GOSISDBHSA-N 417.487 1.652 30 10 HDEE CC(C)CS(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCCC2 1856441877 IVASNHJYKOJXJM-UHFFFAOYSA-N 418.519 1.926 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CCC1=O 1856953109 XPURBWKYPDRGLV-QZTJIDSGSA-N 424.567 1.191 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3ocnc3c2)C1)[C@@H]1CCN(C)C1=O 1857057682 YFVISZBNDTXGTB-CRAIPNDOSA-N 410.474 1.925 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)Cc3ccc(F)cc3F)C2=O)C1 1857111651 HEVXWEBXDOWJIQ-GOSISDBHSA-N 412.396 1.665 30 10 HDEE C=CCOC(=O)N1CCN(S(=O)(=O)c2cc(N3CCCC3=O)ccc2OC)CC1 1858629706 VQRVVNHHUSMVKE-UHFFFAOYSA-N 423.491 1.451 30 10 HDEE C#CCOc1cn(Cc2ccccn2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870563770 OMEIGOSSPNCDPA-UHFFFAOYSA-N 410.474 1.578 30 10 HDEE C=CCOc1cn(CCCN(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870811297 SMSFWJWRKJIEAR-UHFFFAOYSA-N 420.535 1.624 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1873710704 QPSSKFHSYLXZHJ-ZDUSSCGKSA-N 406.508 1.024 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC#CBr 1895213394 ZPANDSGRNSVQCW-UHFFFAOYSA-N 413.293 1.584 30 10 HDEE O=C1c2ccccc2C(=O)N1CCOS(=O)(=O)C[C@H](O)COCc1ccccc1 1923787990 ZFYUEKMXZDDJCX-MRXNPFEDSA-N 419.455 1.207 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C 1982284022 VTHNIUODGXEFPP-VXGBXAGGSA-N 413.334 1.839 30 10 HDEE CS(=O)(=O)CCN1CCN(C(=O)C=Cc2cn(CCC#N)c3ccccc23)CC1 2042437378 XUPOSEIXUFYENO-UHFFFAOYSA-N 414.531 1.757 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046026889 VXSXSWWUBWQWIO-BIENJYKASA-N 410.467 1.640 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O 2103253110 GNNDXPCVIYTTCQ-NSHDSACASA-N 403.482 1.656 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2118171009 SVLQHTRXXMPYAX-ROUUACIJSA-N 418.519 1.858 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC(O)(CCNC(=O)OC(C)(C)C)CC1 2174783200 ZIXFWJDILJNEHK-OAHLLOKOSA-N 403.545 1.854 30 10 HDEE CO[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195307122 ODNHTUWWRQZDQX-QWHCGFSZSA-N 404.529 1.926 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)n1 2247845458 RAISXUZLCFKNKR-KGLIPLIRSA-N 420.319 1.505 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247855993 BHALINRLPIBQQP-OAHLLOKOSA-N 413.331 1.365 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856841 CBBSORSHEIEZAF-UHFFFAOYSA-N 422.291 1.352 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247914878 RYICMJURVRMOOT-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247917247 IZWXNVCBKJIASU-UHFFFAOYSA-N 424.307 1.627 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247934881 GZIYEPXXPGPBMP-UHFFFAOYSA-N 422.291 1.352 30 10 HDEE N#Cc1ccnc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258164693 WEEMSXTVIBNWCX-CQSZACIVSA-N 404.404 1.075 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258166624 XPULIPNIGLAZDM-DLBZAZTESA-N 408.476 1.477 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(C[C@@H](C)C#N)C1CC1)NC(=O)OCc1ccccc1 2270513754 JJTHBCUHRXBVIO-WMLDXEAASA-N 423.491 1.408 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H]1CCN1C 2282301914 SKBNIBJEQLOUFY-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](N)C4(CC4)C3)cc2Cl)OC1(C)C 2282313665 ODRWQGYZEXLUIS-LLVKDONJSA-N 418.777 1.813 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282316089 XNVIOMHVMLLIAY-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342804 MLFIFRLBXBOMHJ-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@](C)(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282407744 BSHFDRMEGXYRHR-QASKLWRZSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N=[S@@]2(=O)CC[C@H](N)C2)OC1(C)C 2282505189 AAJLZKFGMIOKPN-UOXLDJKESA-N 420.387 1.076 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282842341 WVYAYKPYFZWCCH-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CN)C3CC3)c(Cl)c2)OC1(C)C 2282844560 FYFDWJNVTKGOKC-AWEZNQCLSA-N 400.737 1.655 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@]1(C)CN 2282851171 YMLSGCUUFHGWON-SJCJKPOMSA-N 400.375 1.653 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283111968 QHKYRFXTCPFLLE-LLVKDONJSA-N 401.721 1.802 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)O1 2284399536 LKJRIVQTDMEGQV-JTQLQIEISA-N 403.287 1.135 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](C(=O)O)C(F)(F)F)c2)OC1(C)C 2284404882 CHIXFDRONCQRKN-VIFPVBQESA-N 415.220 1.341 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406056 SXLUKMKMRLYKGJ-ZYHUDNBSSA-N 401.315 1.449 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1C(=O)O 2284408017 RLDSJTJSJWGZJD-ZYHUDNBSSA-N 401.315 1.389 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCSCC(=O)O)OC1(C)C 2284411217 ZPNNSOJFXAHKOP-UHFFFAOYSA-N 421.371 1.285 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@@H]2CC(=O)O)OC1(C)C 2284413531 LNMQUNDVSHZOQW-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]s1 2296459040 IDZFXYODCIEXSK-LLVKDONJSA-N 415.541 1.832 30 10 HDEE CCn1c(N2CCN(C)CC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2314426277 UGTJVELFUKBMFD-UHFFFAOYSA-N 417.560 1.631 30 10 HDEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc1OC 2330940309 BIUKUNLIFATSPY-AWEZNQCLSA-N 405.480 1.997 30 10 HDEE C#C[C@H](C)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2336950378 GFBBUYGDJBITIB-INIZCTEOSA-N 417.531 1.278 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCC12CC2 2365204730 OTORPXOZBMWREZ-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)(C)C 2365207166 LWZRAYKAFRDCGJ-KUHUBIRLSA-N 404.573 1.703 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2365207965 QXXOXWZFLZSAJB-HUUCEWRRSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365212668 QZVNHQHKRCROBV-GJRWTSMGSA-N 400.541 1.019 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367822231 DOJILHAOBJKRKN-DNVCBOLYSA-N 400.541 1.307 30 10 HDEE Cn1nc(Br)nc1[C@H](O)[C@H](N)C#Cc1cccc(Br)c1 2382077463 GHJRHCBZASWQAV-GHMZBOCLSA-N 400.074 1.753 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)OCC(C)C)n2N)cc1 20913651 JHXAPMPNFZVUKX-UFWORHAWSA-N 406.468 1.516 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCN(c2ncccc2C(F)(F)F)C1 47299389 UXRYOWPRLASTEL-LBPRGKRZSA-N 414.384 1.872 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)Nc2nccs2)n[nH]1 59887818 QIAIRXWJDVZSTE-REZTVBANSA-N 421.512 1.244 30 10 HDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 170498126 XQTKUCHGXHLKJN-UHFFFAOYSA-N 417.341 1.282 30 10 HDEE N#Cc1ccc(N2CCN(CC(F)F)CC2)nc1N1CCN(CC(F)F)CC1 436318701 PSZQXWVEYGZGIJ-UHFFFAOYSA-N 400.424 1.727 30 10 HDEE N#CC1CCC(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 441762179 OIDPSCPITIMPNW-UHFFFAOYSA-N 407.496 1.554 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 460931345 KPRIDOWJZIYJKX-QGZVFWFLSA-N 403.508 1.881 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cn1 462097353 PJFTYJNOGVNBCX-UHFFFAOYSA-N 415.479 1.217 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 467287127 DQJKYWYOKPQTTR-CLWJZODNSA-N 416.547 1.730 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 470045035 JLEFQNQXZMJGEU-GOSISDBHSA-N 420.535 1.779 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 472512166 DYVCEMXREDHMSU-LJQANCHMSA-N 420.494 1.844 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480534703 FEYHOGWUQCTYLU-UHFFFAOYSA-N 411.549 1.548 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)cc1 486010055 YRSRJMRUICWPMF-GFCCVEGCSA-N 407.473 1.533 30 10 HDEE CCOC(=O)c1ccc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)nc1 489096433 DDQIMYLUWSPQAU-UHFFFAOYSA-N 415.475 1.344 30 10 HDEE CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)NS(=O)(=O)c2cnc(C)c(C#N)c2)s1 489875607 SDBKWMJDWFBGRZ-VHSXEESVSA-N 408.509 1.617 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC1)C2 497509783 QLXOPFLGVCQTNZ-OALUTQOASA-N 402.564 1.575 30 10 HDEE N#Cc1cc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cnc1C(F)(F)F 498823241 MYTVUUPSQFQJLC-UHFFFAOYSA-N 402.398 1.658 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2)n(C[C@@H]2CCCO2)c1=O 502007374 WVFZVKDVFXQKHK-KRWDZBQOSA-N 420.494 1.208 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)cc1Cl 502447463 WRGKTVWVCXOHNB-JTQLQIEISA-N 411.892 1.999 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 508938385 JFQKVGYYWRPYJZ-OCCSQVGLSA-N 409.516 1.225 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)c(F)c2)c1=O 531653339 JRMIHDPFKGWNIB-UHFFFAOYSA-N 424.295 1.470 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)c3cn[nH]c3)nnc12 533878765 SYCYEMAKEYYBFM-GFCCVEGCSA-N 409.475 1.923 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2ncn(-c3ccccc3)n2)CC1 540010570 SXQOITSJHOCVOA-UHFFFAOYSA-N 408.487 1.645 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cn1C 540334704 CREBDXALLAMVOV-UHFFFAOYSA-N 413.463 1.039 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cc1 544835006 SBTKBXBATYWSMV-SIKLNZKXSA-N 419.485 1.830 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 545463389 WOLQROOERIATHG-UHFFFAOYSA-N 424.505 1.493 30 10 HDEE COc1ccc(C(=O)NCCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545463567 QWQJDKZLADUIKQ-UHFFFAOYSA-N 407.474 1.821 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)C1=O 546064047 XTOQHYHPQSGWKV-CYBMUJFWSA-N 411.505 1.643 30 10 HDEE COCC1(c2noc(-c3ccc(C)c(S(=O)(=O)NCC#N)c3)n2)CCOCC1 551524900 HYHBGVYKNCMMGO-UHFFFAOYSA-N 406.464 1.542 30 10 HDEE CC(C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 553774162 ZQDMJHZUJQZREU-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE CC(C)N1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(F)c(F)c1 561663306 XTPVJRKFQNYIFA-AEFFLSMTSA-N 403.437 1.951 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 572382397 VCLNZWHLPJDABB-KBPBESRZSA-N 401.558 1.129 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F 584424338 XCGLLHWSLPDMJU-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE Cc1cc(N2CCC(NC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)nc(C)n1 586858545 BDIBHRDAEBPPSC-UHFFFAOYSA-N 410.453 1.506 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604002740 WQGLCSLXFQDGHT-UHFFFAOYSA-N 420.519 1.861 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)ccc1Cl 608834261 PVBUODHKZXVEKC-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN(C)CCN2CCCS2(=O)=O)ccc1Cl 610614733 BROUGJHXKYLRDC-UHFFFAOYSA-N 412.943 1.862 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 610898322 GSDTYAWCDQGENA-UHFFFAOYSA-N 419.572 1.554 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 611017315 JAVXWVIHBJINSB-UHFFFAOYSA-N 406.391 1.749 30 10 HDEE N#Cc1cccc(-c2nnc(CN3CCN(c4ccccc4S(N)(=O)=O)CC3)o2)c1 615454959 HTJJAOQRPUFDFG-UHFFFAOYSA-N 424.486 1.578 30 10 HDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C)c1=O 683734090 JAYRGHUNXACIBX-UHFFFAOYSA-N 421.320 1.205 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 729332230 LHIZQUUIOMXRJQ-AEFFLSMTSA-N 406.479 1.327 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCC1 732496502 XAKHMCHAAPHHFC-IEBWSBKVSA-N 408.458 1.230 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664560 QXDSBHYHCQKTOQ-AEFFLSMTSA-N 422.576 1.285 30 10 HDEE Cc1cccc(C(=O)N2CCCC2)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706390 IGRVOSMILAEXBC-QGZVFWFLSA-N 409.490 1.368 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@@H]1CCCO1)c1ccncc1 733878167 AAWHHXAEOJLBJC-HNNXBMFYSA-N 400.460 1.332 30 10 HDEE COc1cc(F)ccc1N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 734669126 QSSZLGJAMWKPRW-VHEBQXMUSA-N 417.441 1.192 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn(CCC)c2)c1=O 735069198 NNGFHEIVSDYMHT-UHFFFAOYSA-N 415.563 1.592 30 10 HDEE COc1cccc(N2CCC[C@H](NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)c1 735379347 CFFQHYUVGZSFCB-CVTQAYBASA-N 413.478 1.490 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)c3cc(OC)cc(OC)c3)cc2C1=O 735697656 YPKIRLXDSLFRCT-LJQANCHMSA-N 410.426 1.949 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)OCCOC)c2)CC1 735865358 XJLNJMSLCVCYSD-UHFFFAOYSA-N 419.482 1.333 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)cn1 741449299 MDZITTJZONZITM-FVQBIDKESA-N 419.551 1.888 30 10 HDEE Cc1nn(C)c(C)c1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742533194 SHYMATXOGIPCJJ-GFCCVEGCSA-N 403.508 1.213 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cccc(C)c3C#N)CC2)cc1 743898389 DJIMKSPIWSSSIF-UHFFFAOYSA-N 421.501 1.752 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2=O)n(C)n1 744828515 NJFBZTZAVJVKQE-MRXNPFEDSA-N 405.418 1.330 30 10 HDEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 752154019 YCDWTJGCOYHXAJ-UHFFFAOYSA-N 416.499 1.344 30 10 HDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)s1 752193557 ISCYYAYFVQJGCP-ZDUSSCGKSA-N 417.556 1.836 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 760620078 KMIJBKCKRGKPKH-YFHOEESVSA-N 412.471 1.650 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1=O 760778052 PVKLPGSWIVKVIG-QFIPXVFZSA-N 418.457 1.069 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 761806642 RPSOVURBUJSPLJ-HXUWFJFHSA-N 418.501 1.976 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2cccc(Cl)c2)n1 761963090 SRHSDYSZCFORIB-QGZVFWFLSA-N 412.881 1.971 30 10 HDEE CC(=NN=c1nc2[nH][nH]cc-2c(O)n1)c1cc2c(cc1Br)NC(=O)CO2 767376843 FSRXCVMTNZSYOP-UHFFFAOYSA-N 418.211 1.362 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 767701825 CVGAPUWHMJYFPA-MRXNPFEDSA-N 419.503 1.537 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 774242427 VKRGUSAGZZJXJL-JYRKZWEQSA-N 417.575 1.975 30 10 HDEE Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 786548863 BZRVQWLNEVGZMC-QQHGCPPCSA-N 410.474 1.821 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)n1 789167436 WPGIOGOTSTVEON-BIXGBWIQSA-N 404.511 1.996 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OCC)C2)n1 789217091 PFNLDAJMCMEBTN-QZTJIDSGSA-N 419.526 1.931 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2ccc(F)c(C)c2)C1)c1cc[nH]n1 789994356 DYOPIGDKFHSGEL-QGZVFWFLSA-N 418.425 1.741 30 10 HDEE C#CCN(C(=O)CN1CCOCC1=O)[C@@H]1CCOc2ccc(Br)cc21 790912912 XRCPQQPZVFLYQQ-OAHLLOKOSA-N 407.264 1.593 30 10 HDEE C#CCN(C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 800763928 USGXUNWTXAVNPY-RBUKOAKNSA-N 413.499 1.422 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(CO)CC1 809918377 YFEVSBJUEZOTRM-MRXNPFEDSA-N 407.515 1.981 30 10 HDEE CN1/C(=C/C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)C(C)(C)c2ccccc21 810091252 MHFOCQJZELYWTG-HMMYKYKNSA-N 420.579 1.681 30 10 HDEE CC(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 812242123 NBYQCLYQPMVTET-CVEARBPZSA-N 420.514 1.971 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)n1 816991796 XQMPPJWOJJLZTQ-ROUUACIJSA-N 408.462 1.703 30 10 HDEE Cc1ccc(N2C(=O)C(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)c(C)c1 887546352 MZLKDKWJYAAMRG-UHFFFAOYSA-N 418.457 1.645 30 10 HDEE CC(=NNc1nc(SCC(=O)N2CCN(C)CC2)n[nH]1)c1ccc2c(c1)OCO2 1084232416 PAXGONKCBLYLHE-UHFFFAOYSA-N 417.495 1.236 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc(OC)c1OC 1127752875 ANILTQGYIRRGAD-OPAMFIHVSA-N 409.442 1.851 30 10 HDEE CC[C@@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1130660319 ZZCIFRQKXTZBIV-IBGZPJMESA-N 408.524 1.203 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1132306197 HCERMACRIGGAJY-KPHUOKFYSA-N 419.865 1.744 30 10 HDEE CCOC(=O)[C@H](CCCC(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133385503 AJGYFVVZQNYADM-HNNXBMFYSA-N 409.508 1.599 30 10 HDEE C=CC[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 1136819921 HQKJQRGKLAQHCG-IRXDYDNUSA-N 409.895 1.808 30 10 HDEE Cn1cc(CNC(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(-c2ccc(C#N)cc2)n1 1138162102 RKZLHXIWJXCCLK-UHFFFAOYSA-N 400.398 1.419 30 10 HDEE Cn1ncc(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c1-n1cnnc1 1138270019 WTRKYJYIGDDPDT-UHFFFAOYSA-N 404.434 1.836 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1 1142310783 FWKCAEDIHLPRQO-UHFFFAOYSA-N 406.552 1.853 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1142979879 MBMCDZQGMLQSCS-CVEARBPZSA-N 409.531 1.542 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)CCc1ccccn1 1143572583 RABYOUXISBQXFN-KRWDZBQOSA-N 402.495 1.505 30 10 HDEE Cc1ccc(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)cc1B1OC(C)(C)C(C)(C)O1 1151219787 XLTSMULBWNVKAQ-FGZHOGPDSA-N 412.295 1.419 30 10 HDEE Cc1nc([C@H]2COCCN2C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)no1 1154121349 OFPIJURUJKONOD-MRXNPFEDSA-N 404.467 1.928 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)CC2=O)cc1 1158318240 HUJAHTVZCVYHEQ-HOCLYGCPSA-N 404.417 1.674 30 10 HDEE C#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1160815736 FYAWZPKIFFMSMP-ROUUACIJSA-N 415.852 1.873 30 10 HDEE COC[C@@H]1C[C@@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1171713384 JQYXBQFEGUKFCI-BBWFWOEESA-N 416.522 1.438 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1196781609 DDWATELSXTUFRN-VQTJNVASSA-N 406.490 1.682 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)OC 1212123441 MSNPZWSVIHPAAN-LBPRGKRZSA-N 420.281 1.318 30 10 HDEE CN(C)C[C@@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 1213315179 BACPDHFDIDIABK-LSDHHAIUSA-N 406.430 1.367 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCc2ccnc(-n3cncn3)c2)CC1 1234439591 ZVLZYMCJXINTFT-UHFFFAOYSA-N 406.425 1.705 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1251437314 LSMLDRPQPUGTRA-GDBMZVCRSA-N 408.499 1.193 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1253005701 NYURPPLYKZTUKA-AYBZRNKSSA-N 403.527 1.836 30 10 HDEE C=CCn1cc(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)nn1 1266824218 TYHZECGWPCVPNF-UHFFFAOYSA-N 407.471 1.576 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1286302172 KRRADSDKFWQBPD-INIZCTEOSA-N 404.474 1.900 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286385873 QKAAPDKITULIOM-YOEHRIQHSA-N 418.567 1.817 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1286386391 ZGZZXXQPDBUMLV-ZIAGYGMSSA-N 422.473 1.996 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286387384 QLRRPRFVGIAUHT-WBVHZDCISA-N 417.560 1.720 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1286451985 QIVZBLYGTBSNKD-ZBFHGGJFSA-N 424.596 1.712 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCOC1 1286463340 MQBOPLTXTBVJJH-NRFANRHFSA-N 416.478 1.200 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1286521888 GIDAZCLMLOJYAA-IIBYNOLFSA-N 411.510 1.166 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286698547 AZAMTNOWSDPVSC-VBKZILBWSA-N 402.499 1.563 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)COC(=O)N2 1286711057 HLBFSYNMAGGNCD-UHFFFAOYSA-N 400.483 1.955 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1286789896 IPBWVWSZXHSZGG-QGZVFWFLSA-N 405.462 1.312 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1286793545 HBNFLLAOKFWBAB-QGZVFWFLSA-N 412.494 1.428 30 10 HDEE CC(=O)NCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1286965945 ZXUDRTUVEHUETA-QGZVFWFLSA-N 421.461 1.855 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1288998193 AZULSGZNLCUTPM-INIZCTEOSA-N 413.526 1.445 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H]3OCC(=O)N(CC)[C@@H]3c3ccnn3C)cc2n1 1289217844 NXOSRIPJDGIPKL-UXHICEINSA-N 408.462 1.883 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1297527688 UHJKZHVZQXYZPV-MRXNPFEDSA-N 416.478 1.489 30 10 HDEE Cc1ccc(N(CCC(=O)N[C@H](C#N)CO)S(=O)(=O)c2ccc(C)cc2)cc1 1297880721 SLXZGCSWKLZYIT-QGZVFWFLSA-N 401.488 1.890 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1c(C)nn(C)c1C 1299240500 BJXKIXWXUKQIPZ-UHFFFAOYSA-N 406.494 1.940 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F 1299371944 GGCFVONTRVMTDG-ZACQAIPSSA-N 421.494 1.423 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1300310740 ZCQJGGSHTBYLPU-WMLDXEAASA-N 421.498 1.256 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1300532565 XQJHHLGUTGIDPZ-HXUWFJFHSA-N 417.517 1.614 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccsc2)CC1 1300700824 XIALEJBJOBQJAH-MRXNPFEDSA-N 405.549 1.045 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(c2cnn(C)c2)CC1 1300731103 BPMSWAPWTPTPOD-UHFFFAOYSA-N 415.567 1.900 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300973248 WRCQKSMSUFXDHP-HKUYNNGSSA-N 420.558 1.225 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1300989308 NRFYMQXVQPRBOI-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)CCCOC)CC1 1301107094 BRVWGPMZWGLBIC-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@H]1COCCO1 1302070083 WSEUTQAMZKJGFV-INIZCTEOSA-N 412.494 1.916 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1OCCOC 1309575243 JMKZKHLJSIFTFB-CYBMUJFWSA-N 404.282 1.497 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 1310380654 VSLXVAAJVLQOGS-QGZVFWFLSA-N 400.479 1.143 30 10 HDEE C[C@@]1(C#N)CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 1312606953 CPOJLCTZIBOVLO-RHSMWYFYSA-N 407.268 1.878 30 10 HDEE CCN1C[C@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1312966160 DXFDGHJEKDBOHW-HNNXBMFYSA-N 409.494 1.426 30 10 HDEE CCCNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1313482932 BQRRLLXBSPVGFK-NRFANRHFSA-N 424.484 1.875 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1316310368 QPHMRYGCJACBGZ-UHFFFAOYSA-N 400.483 1.837 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1316336588 LVZMHVBUNKCMIM-HNNXBMFYSA-N 421.548 1.626 30 10 HDEE C=C[C@@H](COC)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1320310114 GHCOYKMUYSIITF-ZFWWWQNUSA-N 417.325 1.919 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1 1354833715 DYVRMDRMOUUEMH-RBUKOAKNSA-N 424.482 1.421 30 10 HDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC1(C#N)CCOCC1 1357984708 FOYWMFRFBIDXBW-UHFFFAOYSA-N 400.479 1.732 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1358941584 PRPKWRIZBRMFDB-SZNDQCEHSA-N 416.478 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc(C)nc(N2CCCC2)c1 1358968515 OHTOSZBGOISMFP-UHFFFAOYSA-N 419.533 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCC1 1358973696 BGLLZSVJEXPFTD-UHFFFAOYSA-N 415.505 1.480 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1358982337 SGHKGXKDZWPYRK-INIZCTEOSA-N 424.530 1.257 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCSC2)CC1 1359037941 FBJQZNVDDFOOGU-KRWDZBQOSA-N 402.568 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CC)CC1 1359040262 NRVZFCHIGQTARG-UHFFFAOYSA-N 414.554 1.916 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1359070070 DPEZXZSOHHKVTB-FXAWDEMLSA-N 416.551 1.768 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1359132037 LISPQEXXOBSYRM-INIZCTEOSA-N 405.499 1.208 30 10 HDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1359228731 MSXQAELHDGYBOC-INIZCTEOSA-N 405.524 1.474 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C 1359277557 PEKVGNLECBGRHB-IRXDYDNUSA-N 421.567 1.958 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1359280984 KUFPLLLHIXXHQT-UHFFFAOYSA-N 414.510 1.536 30 10 HDEE COC[C@@H](CCO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446074712 HUBIYWDKDBHTDK-SJLPKXTDSA-N 403.479 1.906 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)CCCCOc1cccc(C#N)c1 1453596494 NQLJRCYMLVFVRD-JOCHJYFZSA-N 401.507 1.839 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1458020973 DQZNQFKONAZPFE-SFHVURJKSA-N 405.458 1.893 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1)C(C)(C)C 1460805881 HGASBZROJADAOP-UHFFFAOYSA-N 419.547 1.456 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)nn1 1461059981 XFROWUQPOWMKGA-UHFFFAOYSA-N 417.535 1.798 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1461536378 DGHBLFQBWXAYNN-OWCLPIDISA-N 415.437 1.961 30 10 HDEE CN1CCN(CCCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1464075369 XOKWPULDGWOOMU-UHFFFAOYSA-N 406.571 1.781 30 10 HDEE N#Cc1c(F)cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1F 1465761260 HSSFJUOUGDYZPF-KRWDZBQOSA-N 400.385 1.169 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466078260 SBPADORAQMNJBW-KXSVDRQTSA-N 423.510 1.810 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](n2cc(C(=O)OC)nn2)C1)C(C)C 1467660644 VZFFBIUMKVCIBY-WMZOPIPTSA-N 404.515 1.720 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1470393671 FJRNTHQVTZVGHY-VQIMIIECSA-N 407.492 1.478 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C1 1470574420 WDMVRCSAOBKNHX-HZPDHXFCSA-N 403.552 1.951 30 10 HDEE COc1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc(NS(C)(=O)=O)c1OC 1471355966 BBRKCVIHMNZUCW-MRXNPFEDSA-N 415.471 1.844 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc2ccccc2cc1C(=O)OC)C(=O)OC 1475240324 TVTAGSMCFMTBMH-INIZCTEOSA-N 407.444 1.649 30 10 HDEE C#CCn1cc(CNS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)cn1 1475476761 DCZNVFOFTZYUEU-SFHVURJKSA-N 416.503 1.594 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1478294456 GQTRKZDYUQAZNN-UXHICEINSA-N 407.474 1.819 30 10 HDEE COC(=O)C1=CC[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1478977680 ZPFWRHSSLVXTBE-HNNXBMFYSA-N 408.462 1.820 30 10 HDEE COC(=O)[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1 1479028129 QNABTMXLBWSUCF-SHTZXODSSA-N 410.478 1.818 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1492162651 YLBUYJRORUWLCU-XUFBONQXSA-N 403.523 1.236 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1503759263 AQKILYYFMJWWKT-INIZCTEOSA-N 410.478 1.216 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1504984785 USFDDOJXTPNMGB-LSDHHAIUSA-N 416.482 1.607 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1507541834 IRDAVZGVKCUVSG-MRXNPFEDSA-N 416.551 1.450 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1COCCO1 1507668920 OQZMOFFGXZFRSS-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ncn(-c2ccccc2)n1 1507710002 BASPAXKLGRMTHD-SFHVURJKSA-N 421.505 1.887 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1507719369 NKDPQTSGFYSCKB-YADHBBJMSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)CC)CC1 1507730215 OEGVNIDJMSYGAD-LJQANCHMSA-N 424.505 1.024 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1)c1ccccc1 1507853468 DPQVNMFDPHPKTP-JOCHJYFZSA-N 408.506 1.989 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1507956915 IIDXXLDIUXOLEC-CABCVRRESA-N 405.455 1.221 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CC)C(=O)C1 1508078435 ANOBWSQBHUEAPD-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cn1 1508290916 HFYSZDVIVBJCFA-DLBZAZTESA-N 411.466 1.303 30 10 HDEE CC(C)C(=O)NCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1508829110 CHSYZIMJJVBDEV-GVDBMIGSSA-N 418.542 1.698 30 10 HDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512064418 GOXLCIZAAUUZDW-MYDZZUQKSA-N 422.493 1.886 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1516197230 LAUXAQJSIYEFGZ-NJDAHSKKSA-N 419.526 1.866 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1516743348 BFSCPTWGMVGDLN-UHFFFAOYSA-N 405.480 1.000 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(C#N)o1 1517397091 VMUPLFJFWKOOEA-UHFFFAOYSA-N 409.450 1.267 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1518647429 KTYCXCMBIVQQMK-OOSNJVJTSA-N 421.542 1.966 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C\c2ccc(C(N)=O)o2)c1 1518826087 LOUZWUNMSQDANA-CLFYSBASSA-N 407.426 1.265 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1519275890 GOQNPNREUJUZMR-UZLBHIALSA-N 424.521 1.555 30 10 HDEE Cc1nc2ccc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cn2n1 1524001518 FYOVKAXHQQHNLR-MRXNPFEDSA-N 403.402 1.753 30 10 HDEE C=CCC1(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCOCC1 1525780927 HSDHJGANIBINDI-UHFFFAOYSA-N 403.504 1.653 30 10 HDEE Cc1nc([C@@H]2CCOC2)sc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1529118864 FVVDOARLUVYJEC-CQSZACIVSA-N 400.508 1.831 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nn1 1531010866 UKCBXFZDTSDPLE-UHFFFAOYSA-N 411.871 1.391 30 10 HDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537829912 KKTOFTXKUWWTQJ-WBVHZDCISA-N 423.491 1.109 30 10 HDEE C#CCC1(NC(=O)c2ccc(OC)c(I)n2)CCOCC1 1537957313 GREDXGAFQHEQGK-UHFFFAOYSA-N 400.216 1.997 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1539002222 BFDDRGQBQFKFOD-BEFAXECRSA-N 419.533 1.990 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539116733 QVOKXZXWBKYEKN-HXUWFJFHSA-N 421.549 1.805 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1539126194 UIAUAKQBKAJLMW-DLBZAZTESA-N 410.540 1.225 30 10 HDEE N#CC1(CC(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)CC1 1539199366 MPIPZIKRUQLLFF-AWEZNQCLSA-N 409.227 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC 1539331671 VMJUHYZRSTUWCN-UHFFFAOYSA-N 406.490 1.705 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1539347357 QCNDBCQJIVHDNB-QGZVFWFLSA-N 408.300 1.657 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](OC)C(C)C)CC1 1539445774 FSLCHVYHGYYYPK-GOSISDBHSA-N 414.510 1.432 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1539595107 AQWOFRARUZQLQP-LBPRGKRZSA-N 412.288 1.769 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)C)CC1 1539644028 NRJDOBLVTLTGPR-WIYYLYMNSA-N 416.570 1.912 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOCC1 1539967401 QOOMDVGMSXWJTR-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2OCC[C@H]2C)C1 1540884962 YUNRVOMXJAHISG-FXUDXRNXSA-N 413.544 1.095 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1541364075 XQJFFKKPIBLBQD-NRFANRHFSA-N 410.526 1.061 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCOC)C[C@@H](O)C(F)(F)F)c1 1557290352 ZHIVBIICGZPRQW-OAHLLOKOSA-N 407.410 1.495 30 10 HDEE CC(=O)N1C[C@H]2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@@H]4C#N)C[C@H]2C1 1558120317 YQHOYPNNJGWBOM-PZLQNSFZSA-N 416.522 1.710 30 10 HDEE C[C@@]1([C@H]2CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)COC(=O)N1 1560152803 HGKJFECIFSAZFS-KKSFZXQISA-N 408.462 1.893 30 10 HDEE C=C(C)COCCNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1564323482 OMQDCBSWJIVZKX-INIZCTEOSA-N 409.527 1.943 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@@H](CO)[C@H](C(F)(F)F)C3)C2=O)cc1 1564689660 JEJJRYNDQFHISV-XHSDSOJGSA-N 410.396 1.471 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1OC 1565644459 RVMZSUZRHQXCHK-JKSUJKDBSA-N 418.494 1.936 30 10 HDEE CNC(=O)[C@@H]1CCN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1570491502 VDXOTJXILSFDSR-AEFFLSMTSA-N 412.490 1.987 30 10 HDEE C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1585431302 BWBQVAYVFKZLRD-QGHHPUGFSA-N 406.236 1.575 30 10 HDEE C#CCSCC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1586558863 HTTLHETWPGYEKE-CVEARBPZSA-N 423.535 1.784 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)n1 1586565724 YZJHNAKFJNSWAB-UHFFFAOYSA-N 415.498 1.685 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588064190 CKRKFPFWFCCVNJ-VBNZEHGJSA-N 405.549 1.841 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(O)(CC)CC)CC1 1588929776 GHQDCUUMUVOFFH-SFHVURJKSA-N 417.554 1.689 30 10 HDEE C#Cc1cncc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1611545795 GSTMFQAYPVJLGB-MRXNPFEDSA-N 407.492 1.217 30 10 HDEE CCc1nnc(N2CCCN(CC(=O)N(CC)CC)CC2)n1Cc1ccc(C#N)o1 1614013275 MZHXHRRPECKGKS-UHFFFAOYSA-N 413.526 1.734 30 10 HDEE COC(=O)c1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1SC 1616857073 NDBCZAWMETUFBJ-UHFFFAOYSA-N 419.484 1.872 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)CCC1 1620148695 ATHVADMTYAMDRM-HNNXBMFYSA-N 420.539 1.327 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2ccc(C(=O)OC)cn2)c1 1622422344 QUEPVECKVDYCDL-UHFFFAOYSA-N 403.460 1.605 30 10 HDEE C#CCO[C@@H](C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1622536412 NCURULIWZCZDAK-WCQYABFASA-N 403.216 1.185 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNc2ncccc2C#N)s1 1625770097 INGADAODUOOFBH-UHFFFAOYSA-N 405.505 1.250 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1N 1627132366 LUGZCZVIXFQPLG-UHFFFAOYSA-N 400.398 1.951 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1629572922 DRZCMQCYINQCBB-MELADBBJSA-N 422.931 1.437 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)c1 1631704038 BIUWALFSBPGSOZ-WOJBJXKFSA-N 406.490 1.069 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1 1632960497 HXUVVCMJDQKIQM-UHFFFAOYSA-N 411.483 1.536 30 10 HDEE CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 1633361974 OJYDEEBDIXCRIX-ISLYRVAYSA-N 418.494 1.762 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)c(F)cc2Br)CC1 1634876416 OQQYKTISMGDOKW-UHFFFAOYSA-N 416.678 1.749 30 10 HDEE CCO[C@@H]1COC[C@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1635532949 GWDXSRNOFSQRKN-HZPDHXFCSA-N 409.508 1.206 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(OC)(OC)c2ccccn2)c1 1636184702 QQBGCNPGBMBFKH-UHFFFAOYSA-N 405.476 1.422 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2 1637357924 YYMLQZWKLQXJMO-AWEZNQCLSA-N 421.475 1.658 30 10 HDEE C[C@@H](CC(=O)N1CCN(C)c2ncccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1643316947 RBBBBJPSMBRHAJ-AWEZNQCLSA-N 413.503 1.377 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)COc2ccc(S(N)(=O)=O)cc2OC)c1 1644279710 ODEZNRZUDWTMRS-UHFFFAOYSA-N 403.416 1.051 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CCOCC1 1645986923 ORQUIUJOLKCTHK-LJQANCHMSA-N 402.472 1.916 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](n3ccnn3)CC2)CC1 1647893758 GBWMAEMFNLOAIG-ROUUACIJSA-N 413.551 1.776 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1648293485 GDTOAARRLWEPMT-FQEVSTJZSA-N 415.519 1.977 30 10 HDEE Cc1cc(C#N)c(=O)n(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)c1 1652893238 ASYQLNGIQARTNX-LJQANCHMSA-N 411.483 1.989 30 10 HDEE C=CCO[C@H]1CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 1652994458 UGIXEYIQSZRWQY-ROUUACIJSA-N 401.463 1.676 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 1655296951 PUKPWLRZHUTLSZ-IKGGRYGDSA-N 422.576 1.108 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)c1 1660289516 IYQXYZICRRURNZ-IPMKNSEASA-N 401.463 1.211 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1660542140 HLTOHZRNJOCXAI-IBGZPJMESA-N 403.548 1.624 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)CC1 1661608513 DFCVBHUJYNBQGP-UHFFFAOYSA-N 417.409 1.338 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1)[C@@H]1CCCO1 1662679050 MWSKRGLRSLYHTF-HIFRSBDPSA-N 409.284 1.983 30 10 HDEE CC(C)OC[C@H](CO)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1662787807 AZJLDUSMBYWNCB-NSHDSACASA-N 409.277 1.866 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1664764333 HFULQYRZZLDTCA-INIZCTEOSA-N 414.549 1.568 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnn(C4CCCC4)c3)C2=O)cc1 1668981841 ATZKEMBDYJCODF-LJQANCHMSA-N 413.503 1.949 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)cc1 1681326311 ZXRPAZPQMHGAKA-UHFFFAOYSA-N 405.520 1.798 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1C#N 1685193846 YGSZUFJCHBPNOQ-UHFFFAOYSA-N 423.498 1.843 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689926531 QWUZREVBYWSIOK-SFHVURJKSA-N 421.549 1.851 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1689971912 AJIYBJPAOHLHHC-QGZVFWFLSA-N 423.521 1.138 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689998674 SSPNXHIWLJDPQD-HZPDHXFCSA-N 406.533 1.866 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCc2nccn2C1 1690030569 YVZZQWDOBPTEEI-GOSISDBHSA-N 405.506 1.436 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC 1690050256 YVMGNJJPFHOERT-UHFFFAOYSA-N 402.495 1.906 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCNC(=O)OC(C)(C)C 1690099813 MLTQQANJBAAPLW-UHFFFAOYSA-N 402.499 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc(C)s1 1690107867 GEGUSIHLHDOUTG-HOCLYGCPSA-N 406.512 1.296 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1690126035 SJZHZNZTVXXERS-JOCHJYFZSA-N 422.577 1.978 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOCC(F)(F)C(F)F)CC1 1690134977 NLSJDRFYWDZVQS-CQSZACIVSA-N 419.423 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCOC2)CC1 1690146658 SZKWJAYRMZFAQL-SJLPKXTDSA-N 401.511 1.522 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1690201505 NHLMQJBCKQNRGT-GAJRUTHPSA-N 405.462 1.792 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)CCNS(C)(=O)=O 1690243676 NVXJKMPGVMVMTR-RDJZCZTQSA-N 422.555 1.250 30 10 HDEE Cc1nccn1CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1693382353 SFMWHNHYVRJUBV-NVXWUHKLSA-N 419.555 1.761 30 10 HDEE Cc1nn(C)c(C)c1CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1693394930 PGHAFXAMFMQQNV-QGZVFWFLSA-N 408.466 1.729 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CCCO1 1696331690 HXNWSBNZHGIFNI-NRFANRHFSA-N 411.510 1.977 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1702545123 COILLRATNCIXEH-FXVDGXSLSA-N 418.538 1.075 30 10 HDEE C#CCN(c1nnc(C)n1CC1CCN(CCC(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1705560933 LYEHAXIVFVEIAT-FQEVSTJZSA-N 421.611 1.971 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(CO)c1 1705630121 HMCATSHGZDGTSV-UHFFFAOYSA-N 408.506 1.766 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)C1 1705697063 JTLAGFNCGYJACT-RYRKJORJSA-N 407.515 1.262 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705724796 PZXURYPZMHFYRS-GFCCVEGCSA-N 404.412 1.828 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705947348 IODZAMBTYNEGQT-KRWDZBQOSA-N 413.551 1.739 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705948178 JWTZLOXUWAQFLR-IAGOWNOFSA-N 415.567 1.774 30 10 HDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1709221566 GKXBGMBAZGPSCH-RHSMWYFYSA-N 402.524 1.991 30 10 HDEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709380126 GWAIEFCVDAMFAA-FYCOFBDGSA-N 423.525 1.759 30 10 HDEE CN(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1711017552 RIYNHTSDRFPXHO-SFHVURJKSA-N 402.474 1.315 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722308815 QLUBSPXDQWKMJJ-INIZCTEOSA-N 414.510 1.462 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1722355598 ZHHVSJKUKODUMW-CVEARBPZSA-N 407.515 1.938 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722362321 SUFMAIDIPWYDBO-INIZCTEOSA-N 424.486 1.116 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722381394 PUMDYHWXVLJNIN-MOPGFXCFSA-N 415.563 1.823 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1722432022 VJZLJDJGLIABQQ-FGZHOGPDSA-N 419.570 1.481 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1722628980 FCYQJSDNPOBCHY-INIZCTEOSA-N 407.540 1.903 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1722719085 XFHQITDWMOSLDC-DENIHFKCSA-N 408.506 1.665 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCOCC2)C1 1722721819 VZFWNQIYVUTTRB-GOSISDBHSA-N 416.526 1.463 30 10 HDEE COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1729797434 ZCQVLXILWXOTLR-SWLSCSKDSA-N 413.438 1.019 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1730730285 HXQCHEDSVSGXEM-LJQANCHMSA-N 419.461 1.026 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@H]2C)CC1=O 1730780356 CNCNLDKBBWVLJS-SJLPKXTDSA-N 424.505 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740533221 ACQGYDKCVAKRQD-KKSFZXQISA-N 405.543 1.939 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1740553435 SBDDMACJXGYNPQ-HZPDHXFCSA-N 412.519 1.643 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1740575301 NHFKBARURIDUPE-QGZVFWFLSA-N 400.527 1.970 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1740579826 UPKZHKZCTWCMLK-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1740716312 WGICPZIEXLTLRU-UHFFFAOYSA-N 406.537 1.115 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C 1740725264 OLQOQCCDGKJVQL-AUUYWEPGSA-N 424.571 1.185 30 10 HDEE C=CCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881625 MHKBNEIBQZOBDF-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1740957293 IYBNSROEPWQFFO-LJAQVGFWSA-N 412.519 1.949 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1740957896 CYLNSRWLTYVFLU-KRWDZBQOSA-N 415.542 1.430 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740960428 RHKRNWADOIXYMS-QVKFZJNVSA-N 415.469 1.321 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCO[C@H]2C)C1 1740983483 JRROCVHJJYWIHJ-WAOWUJCRSA-N 416.526 1.461 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1742113594 YCOYQTYXYSPNOF-GCJKJVERSA-N 424.505 1.681 30 10 HDEE Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1742226284 GLMILNUANQQGGK-MRXNPFEDSA-N 408.437 1.868 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1746963406 OBIKIDKWOHWZCB-KQRDDFEUSA-N 421.542 1.987 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1747884225 ALDDBDINAHUQEL-FBMGVBCBSA-N 419.436 1.901 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCNS(C)(=O)=O 1748901077 RGVUASJJQYUVGK-UHFFFAOYSA-N 424.530 1.293 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N(C)C)c1 1748901372 XDTBHWIWSCDREL-UHFFFAOYSA-N 404.518 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(CC)C1 1748965155 NLOFYJGSIOMXMH-IBGZPJMESA-N 421.549 1.944 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCNC(=O)c2occc2C)CC1 1748989334 LFYAZEUOUXPTKB-UHFFFAOYSA-N 412.538 1.953 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN1CCOC(C)(C)C1 1749064811 KTTGGSSIAQIRGS-IIBYNOLFSA-N 400.527 1.332 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749084739 USDBRHXMEADFLN-BETUJISGSA-N 414.304 1.667 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1749232779 GZSHXBFBXRUNLF-IXDOHACOSA-N 402.499 1.411 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNS(=O)(=O)CC)CC1 1749316306 FDKTWWIPYAKOAT-HOTGVXAUSA-N 413.544 1.098 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)n1 1751845353 URPCQGICWRSQEO-VQIMIIECSA-N 403.462 1.387 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)NC)c1 1760095430 OKYCXESELUSLDD-MRXNPFEDSA-N 408.506 1.574 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1760177037 BODJUUPQPBTXRM-INIZCTEOSA-N 410.478 1.532 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCCNS(C)(=O)=O 1760215788 NJSLJYXDZIPDJU-UHFFFAOYSA-N 415.519 1.356 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@H]2C)CC1 1760269001 UZMLWBJJDIZTRL-QGZVFWFLSA-N 424.553 1.129 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760540408 IGVMAGJYBQUGIG-HOTGVXAUSA-N 403.508 1.556 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCn2cc(CO)nn2)C1 1760540842 PZYMTOLGNQEEDP-QGZVFWFLSA-N 410.482 1.296 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](COC)OC)C1 1760545331 RWWJKUGBWRRCFJ-CABCVRRESA-N 419.482 1.449 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1760556613 KDTVXBHTZWICLO-AEFFLSMTSA-N 419.551 1.726 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)F)CCOC1 1761273487 CSOPWWNDQNLUFZ-FZKQIMNGSA-N 414.457 1.438 30 10 HDEE CCc1nnc(N2CCN(CC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1763121858 XRKZICGQOGWYFA-HNENSFHCSA-N 401.515 1.145 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 1767847813 RLLGJGNRBYKWAV-WMLDXEAASA-N 418.523 1.227 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)[C@H](C)CC#N)c1 1769365425 YRFRYPUQHPKYDV-RHSMWYFYSA-N 418.523 1.824 30 10 HDEE CO[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1769611155 QAIKDIBEWDMPQW-CABCVRRESA-N 410.400 1.960 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)C1 1770728258 RBSJDGZNWOJQJS-UZLBHIALSA-N 420.489 1.542 30 10 HDEE COCc1nc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cs1 1770868260 HNVVOIUEMFYVAB-UHFFFAOYSA-N 409.475 1.404 30 10 HDEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1772871785 DRURDQDFOXZDOQ-INIZCTEOSA-N 411.466 1.563 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 1850690483 BVZPGHUOWUNRTM-KRWDZBQOSA-N 423.435 1.506 30 10 HDEE CN1CCN(C(=O)c2ccccc2C(=O)Nc2c3c(nn2CCC#N)CCC3)CC1 1852345617 VTRHGWUWCOZFEZ-UHFFFAOYSA-N 406.490 1.925 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CNC(=O)c3cc(-c4ccc(OC)cc4)nn32)CC1=O 1852763382 UIQQWLCYKVWOGX-KUHUBIRLSA-N 410.430 1.378 30 10 HDEE N#Cc1ccc(N2C[C@@H](OCC(=O)CCN3C(=O)c4ccccc4C3=O)CO2)nc1 1852866756 FYRUOYJJWSILAI-MRXNPFEDSA-N 406.398 1.345 30 10 HDEE CO[C@@H](C)C(=NOCCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853476188 JGSDBWIJYOWSKU-KRWDZBQOSA-N 412.556 1.194 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H](F)[C@@H](OC)C3)ccc21 1853626699 DZBUIZUKHDIZCR-RDJZCZTQSA-N 410.467 1.816 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3ccc(OC)nc3)C2=O)CC1=O 1853821324 GCNWEQNSLHOADE-DLBZAZTESA-N 400.479 1.074 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1=O 1853839589 RSCLOIPLHXNHFG-ZWKOTPCHSA-N 403.504 1.587 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cn(C)nc2C(F)F)C1=O 1854097728 CSJUSOMBVHSDAV-HUUCEWRRSA-N 423.464 1.598 30 10 HDEE COc1cccc2c1C[C@H](C(=O)N1CCN([C@H]3CCN(CCC#N)C3)CC1=O)CC2 1855019767 WQVXHRSNTCDCFV-MOPGFXCFSA-N 410.518 1.459 30 10 HDEE COCc1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)n(C)c1 1855118789 RQMQSUNMHCNVOZ-HNNXBMFYSA-N 408.458 1.599 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855224556 IPMHREYJEPBMIP-JKSUJKDBSA-N 404.536 1.689 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCCc4nc(OC)cc(C)c43)C2=O)CC1=O 1855306515 GFEXUGAAQISCDH-DOTOQJQBSA-N 412.490 1.313 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 1855703800 CYEXFKXVZTXFTE-GJZGRUSLSA-N 402.882 1.913 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)N3C(=O)CN(CCC#N)c4ccccc43)CC2=O)CC1 1856132917 WFWVVUDXRZCPBP-INIZCTEOSA-N 409.490 1.223 30 10 HDEE Cc1cnn(CCN2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)c1 1856386320 DVBUXTIDGRAKOM-HXUWFJFHSA-N 406.490 1.122 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2=O)CC1 1856508042 XGNBZHSGWKFLBJ-ZWKOTPCHSA-N 411.568 1.750 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(c4cncn4C)CC3)CC2=O)CC1=O 1856818675 BBDLMWYKEKNGTA-FUHWJXTLSA-N 413.522 1.009 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1861531912 ABMLTNTUPVJVTL-GOSISDBHSA-N 419.478 1.841 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874341167 CQTDQZUYOKHFFN-DGURAOSJSA-N 417.491 1.667 30 10 HDEE C#CCN(C(=O)OC(C)(C)C)[C@@H](CN)c1cc(I)nn1C 1886815969 QTPBMLCDMCIUIS-NSHDSACASA-N 404.252 1.895 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)c1 1889703822 BWFOXYUIHQXCQN-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c1 1890102855 ROGIWNQBDCLYTJ-QGZVFWFLSA-N 406.490 1.903 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2ccnc(O[C@H]3CCOC3)c2)CC1 1891369456 LDUIXHZRIWFIBQ-KRWDZBQOSA-N 409.446 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)C1 1891916438 DDVXWXPPPFVBJG-GJZGRUSLSA-N 401.467 1.975 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)C1(O)CN(C(=O)OC(C)(C)C)C1 1918785887 RISAGWQAJIASJZ-LLVKDONJSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010406753 YNUKKVZTUOLWHF-AVGNSLFASA-N 423.319 1.306 30 10 HDEE N#C[C@@H]1CNCCN1C(=O)c1ccc(Br)cc1I 2086151208 LZNWHEJCESSTEO-SECBINFHSA-N 420.048 1.991 30 10 HDEE N#Cc1ccc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)cc1Br 2118193862 FPKWBODJFIAYCN-ZJUUUORDSA-N 419.201 1.679 30 10 HDEE N#Cc1cc(Br)cc(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c1 2118194539 MNHJNKXBGQFTPR-MWLCHTKSSA-N 419.201 1.679 30 10 HDEE C#CC(C)(C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2193227306 IYIAZGHGCCQTBX-UHFFFAOYSA-N 407.229 1.927 30 10 HDEE C=C(CS(=O)(=O)NCCONC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241481470 VKYPLIFWMXBDRR-UHFFFAOYSA-N 406.310 1.550 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258177460 LULWKPMKVXQLMP-KRWDZBQOSA-N 408.476 1.574 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267375896 NVGFKXMNWLHDNS-APXPCNQMSA-N 407.388 1.483 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267713897 SSBNUEBPMBFGIC-XMMPIXPASA-N 407.388 1.484 30 10 HDEE CNC(=O)C(C)(C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282307271 ZLCLTXNCULWNKU-UHFFFAOYSA-N 422.765 1.504 30 10 HDEE CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312008 PULPFFKNBGIVIF-SECBINFHSA-N 422.765 1.504 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCN2CCCCC2)OC1(C)C 2282331852 SNOOPIWPPPUASC-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE C[C@H]1CNC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492605 PNTZNFSWODQTGU-FZMZJTMJSA-N 400.737 1.525 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NO[C@H]2CCOC2)OC1(C)C 2282493277 SFTQTQGOVXNDMY-NSHDSACASA-N 403.693 1.638 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(F)(CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282499994 HEQHUFYQOSCLKH-UHFFFAOYSA-N 405.322 1.369 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](N)C3)c(Cl)c2)OC1(C)C 2282500159 VXNZZGWEIYCWIX-CYBMUJFWSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(O)[C@H](O)C3)sc2Cl)OC1(C)C 2282615420 PBXNLYLCARZCCH-PXAZEXFGSA-N 401.721 1.659 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O 2282651892 HLJWXBVWDUFVPZ-RYUDHWBXSA-N 401.359 1.907 30 10 HDEE CC(C)[C@H]1NCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851526 DBRFFANMVZAOBZ-UKRRQHHQSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@]3(C(=O)O)C[C@H](O)C3)sc2Cl)OC1(C)C 2284367175 CMZOYIBANFBLDI-QJGJFZNISA-N 401.677 1.409 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCC(=O)O)C2CC2)OC1(C)C 2284409011 DLMYFMFDIUFNMA-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE COC1(C#C[C@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362769868 BPCXJLDKJUDKHY-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE CCc1csc(C#C[C@@H](N)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363981291 QMAYDFGNURNLQQ-UKRRQHHQSA-N 413.565 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365192782 DMTRFUQOQWMRPF-HNNXBMFYSA-N 403.541 1.980 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365209787 HTKTYOFJTQYZJX-KUHUBIRLSA-N 401.525 1.828 30 10 HDEE COC1(CNC(=O)OC(C)(C)C)CC([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367794485 HWIVOGNHJUBGSS-SWKXRBFHSA-N 401.525 1.638 30 10 HDEE CCCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2368322018 WIYCDDOWXNECKJ-JJTUDDRGSA-N 400.541 1.188 30 10 HDEE CC(C)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2370841760 GEJUDOQCBZTCQK-OCCSQVGLSA-N 401.359 1.827 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)Cc4ccccc4)CC3)cc2C1=O 46633656 UQWGQEALLFYLQD-UHFFFAOYSA-N 417.465 1.996 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)CC1 48291201 AEAKCRZWZBUVAO-HNNXBMFYSA-N 404.898 1.139 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)CC1 52305089 HAANTKMTNNBITD-UHFFFAOYSA-N 404.530 1.873 30 10 HDEE Cc1ccc(N2C(=NC(=O)COCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1C 254382457 ZDMBMAQWDXCZAD-KGLIPLIRSA-N 412.489 1.006 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)o3)CC2)c([N+](=O)[O-])c1 428008856 RKKCRDPXCUSFHU-UHFFFAOYSA-N 404.404 1.425 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 435264078 URWOPGXWKBOBAR-FTRWYGJKSA-N 408.520 1.950 30 10 HDEE COc1cc(C[C@@H](CO)CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc(OC)c1 443357957 FSCJZXUGPAKZDH-CQSZACIVSA-N 408.451 1.844 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 464818313 LLFCASXXKNZGSK-JKSUJKDBSA-N 417.477 1.910 30 10 HDEE C=CC[C@@H](CC)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 466379599 ZWQIKQUOMCJYQX-MSOLQXFVSA-N 402.543 1.906 30 10 HDEE C=CCN1CC[C@@H](N(C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1=O 499938659 KSUDKBAZLRQMNO-GOSISDBHSA-N 414.554 1.276 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1 503089293 ZFUAUJVOWTTYAM-OAQYLSRUSA-N 400.479 1.696 30 10 HDEE Cc1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1-n1cncn1 506806503 QLKLFFGGPKGUKW-UHFFFAOYSA-N 422.514 1.954 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508823892 AIYJMFLDGOBDCX-UHFFFAOYSA-N 416.493 1.453 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 509009579 DDLPWJZFVMJXLO-HXUWFJFHSA-N 422.533 1.885 30 10 HDEE C=CCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCS(=O)(=O)C1 535625299 BVHLJFDBWJRGDG-MRXNPFEDSA-N 410.517 1.920 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1ncc(I)cn1 545207777 ZEUIAQZPCGZUHZ-SNVBAGLBSA-N 407.219 1.458 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(O)nc3c(Br)cccc23)CC1 554814138 OVEMHHJBXIKLNW-UHFFFAOYSA-N 403.236 1.901 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)c1 555085824 AVYSXBRAXNMDLO-NRFANRHFSA-N 411.483 1.885 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 559004261 ULHHPNZUMRUBGU-QZTJIDSGSA-N 421.542 1.653 30 10 HDEE N#Cc1ccncc1N1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 584327803 JCRJMCILEBFVBR-UHFFFAOYSA-N 401.474 1.577 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(CCCc3ccccc3)C2=O)c(F)c1 586862414 VSICZBAYCQTIQR-HXUWFJFHSA-N 422.460 1.663 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 610187904 WOIXNARJONICJB-KRWDZBQOSA-N 406.494 1.669 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619712968 CSNLIRYTJUKTPK-NVXWUHKLSA-N 414.553 1.619 30 10 HDEE CCN(CC)C(=O)C1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 725771607 NHLPCBCTPBGLLO-QFIPXVFZSA-N 411.506 1.863 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1cccc(Br)c1 727447911 BYWJFOJCRKLNBL-WCLQSUPFSA-N 418.334 1.872 30 10 HDEE C[C@H](OC(=O)CS(=O)(=O)NC(C)(C)C)C(=O)Nc1ccc(C#N)c(Cl)c1 731730852 VLNFOOODCSQJNH-JTQLQIEISA-N 401.872 1.800 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 732464853 BLOSHDCVOYDWCA-ZZEZOPTASA-N 408.462 1.978 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)CCN1C1CC1 732706891 TVGUGVPRHWGEMK-GOSISDBHSA-N 419.489 1.419 30 10 HDEE CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224295 ACYYNDBRKHCUDT-INIZCTEOSA-N 406.508 1.825 30 10 HDEE C=C(Cl)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 735969985 RNHFPKMIXZFNKR-CULCSUMMSA-N 423.970 1.745 30 10 HDEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1)c1cccs1 751687391 MTWGXCJSVGSBMC-KHKYVINTSA-N 424.592 1.966 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCn1ccnn1 753153216 SSRXGVFKXSSWDB-OAHLLOKOSA-N 404.496 1.082 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755189941 MKEZRCIGFPAASE-JLTOFOAXSA-N 424.498 1.100 30 10 HDEE CCOC(=O)c1cn(CN2CCN(c3nccnc3C#N)C[C@H]2C)nc1C(F)(F)F 756889192 ZRQGMULVWPWFQR-GFCCVEGCSA-N 423.399 1.908 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 765186396 HLCOGEILXNFUAJ-ZFWWWQNUSA-N 404.410 1.374 30 10 HDEE CCn1nc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c2ccccc21 769884946 DZSYWHOVANZSAZ-HNNXBMFYSA-N 405.483 1.485 30 10 HDEE C[C@@H](O)C[C@H]1COCCN1C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 774205987 ICKMZFQITYYKJQ-PBHICJAKSA-N 413.499 1.901 30 10 HDEE Cn1nnnc1-c1cccc(S(=O)(=O)NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 777305823 UAYRYGHCVFRXSS-UHFFFAOYSA-N 408.443 1.551 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1-n1ccc(C(=O)OCC)n1 783051020 LRMFKSBLGGLDMD-UHFFFAOYSA-N 406.464 1.771 30 10 HDEE C[C@@H](OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCC1 787782024 JEEAWPFBIULMGW-QVKFZJNVSA-N 415.446 1.566 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CS(C)(=O)=O)c2)n1 788589257 SSVIYFKYERVLDA-UHFFFAOYSA-N 404.492 1.741 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NC(=O)c2ccc(Cl)cc2)n1 788815239 NSNIQJPCBWZOSS-OAHLLOKOSA-N 402.882 1.963 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)n1 788997821 KFEZNMKKNUGFTN-QGZVFWFLSA-N 424.505 1.052 30 10 HDEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1OC 790193968 DZDOYLRWGHGHIR-CYBMUJFWSA-N 413.883 1.496 30 10 HDEE C[C@@H](C(=O)OCC(=O)NCCOc1cccc(C(F)(F)F)c1)n1cnc(C#N)n1 798745625 UOADVOIEEROIJX-NSHDSACASA-N 411.340 1.468 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2OCCN(C)C)cc1C#N 803211988 PLIAPZAOHOGJLX-UHFFFAOYSA-N 410.474 1.440 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(C(=O)N2CCN(C(=O)CC#N)CC2)cs1 807922011 GZAORTASUOMWGF-UHFFFAOYSA-N 407.496 1.408 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C)[C@H]1CCS(=O)(=O)C1 809876717 KSUFYUGBYMFGAC-INIZCTEOSA-N 401.492 1.311 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1cccc(Cl)c1C#N)C(=O)OCc1ccccc1 814286959 VWNWAKNKOXSPGE-SJCJKPOMSA-N 408.863 1.983 30 10 HDEE C=CCSc1ccccc1NC(=O)COC(=O)Cn1cnc2c(cnn2C)c1=O 839170975 WPORAXVSCNDSTG-UHFFFAOYSA-N 413.459 1.590 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)n1 856674043 HBJBRUJWAGKHTR-LJQANCHMSA-N 404.492 1.347 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccccc2)n1N)c1ccccc1O 1084193977 ACPYSYCDJSODCP-UHFFFAOYSA-N 411.491 1.942 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnc(F)c(Br)c1 1127138462 ONGDYGJQKJIQNA-JTQLQIEISA-N 405.231 1.996 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1130626946 PJOLKCXIUZZCDO-KRWDZBQOSA-N 420.531 1.891 30 10 HDEE C#CCN(C(=O)c1ccc(OCC(=O)NC(C)C)c(OC)c1)C1CCN(C)CC1 1134042736 ATRNZVKBAFTXIP-UHFFFAOYSA-N 401.507 1.768 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134424914 XCICMAGVLFWOFW-MGPUTAFESA-N 412.471 1.069 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(C)c2C)CC1 1136632816 NAUAJXGJOGEHJS-UHFFFAOYSA-N 406.324 1.963 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C\CN2CCOCC2)n1 1143259003 DPBZRYXERLDZKU-ARJAWSKDSA-N 406.537 1.627 30 10 HDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3ccccc3F)CCOCC2)c1 1147809909 KZAZSQVRXDUWAJ-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1=O)C(=O)OCC 1151573759 KRXDUBWRLZIHGP-ZDUSSCGKSA-N 409.801 1.678 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCO)C2CCSCC2)s1 1156347201 INIAVUGADNEABF-UHFFFAOYSA-N 404.579 1.471 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)s1 1157648066 ZPYWFJZODCPHCH-JSGCOSHPSA-N 404.554 1.029 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 1159762575 PGGQSJFFVKMMSI-AWEZNQCLSA-N 423.288 1.974 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCN(C)C(=O)C1 1162644962 CDJSRZZZVMIDTN-ZBFHGGJFSA-N 420.535 1.269 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@@](C)(C(F)F)C2)cc1S(=O)(=O)NCC#N 1167337897 GDGFNJIBSTWEOZ-YVEFUNNKSA-N 401.435 1.682 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)CNC(=O)O4)C2)C1 1179542209 RLVIZELUEYPQNN-CHWWFWEZSA-N 418.494 1.874 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC2(CCOCC2)O1 1179551095 CBONULZFSQHTHP-GOEBONIOSA-N 407.492 1.069 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 1182823006 MOGJUDCSRVVJEG-IRXDYDNUSA-N 421.542 1.101 30 10 HDEE C=CCOCCCNC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1199872599 NGLYDYGKIHGYQG-UHFFFAOYSA-N 403.527 1.611 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1225936103 DBEMMEKMGSTQEQ-JQWIXIFHSA-N 416.404 1.997 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC2(CCOCC2)CO1 1248167582 FBMYHLLNIDXTIB-SJORKVTESA-N 414.510 1.544 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 1254309746 URYKRWWNHNTPCC-GJZGRUSLSA-N 406.446 1.602 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1286277773 HCWIBRDUTJDJMA-HZPDHXFCSA-N 420.535 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1286284662 GBKJNTZNHQZTCC-CQSZACIVSA-N 400.508 1.444 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286339393 VSHLZXWRFYYNIG-INIZCTEOSA-N 415.498 1.879 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286349129 UFGIEQLNHXYIFQ-QAPCUYQASA-N 406.490 1.813 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNC(=O)c1cc[nH]n1 1286364077 YETUKMLIOXVECS-UHFFFAOYSA-N 403.490 1.971 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286383597 DJYIQHIOFXZBOJ-MSOLQXFVSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1286388090 XXFVTSAIKHZNRJ-HNNXBMFYSA-N 405.524 1.715 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1286395303 ZLXSJHFEZBPPGA-QGZVFWFLSA-N 402.524 1.062 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)CCOC)CC1 1286474451 FNJLTLADFGNMDU-QFIPXVFZSA-N 408.506 1.359 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286781868 CUUAJYMMWCMLDW-MSOLQXFVSA-N 419.489 1.366 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1286788104 QFQWXKIFTBXBEV-ZIAGYGMSSA-N 416.448 1.157 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286831812 DEJUCBKUQNUXKE-JKSUJKDBSA-N 406.556 1.647 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286863997 IDOJIJWJXKOJLG-VQTJNVASSA-N 424.505 1.415 30 10 HDEE C[C@@H]1COCCN1CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1291309880 OKEMEVMBSCUOLK-NVXWUHKLSA-N 402.524 1.380 30 10 HDEE CN(CCN(C)C(=O)c1cccc(F)c1C#N)CCN1C(=O)c2ccccc2C1=O 1298756311 MGWUUSSWKBJEOH-UHFFFAOYSA-N 408.433 1.997 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1cccc(Br)c1)c1cc[nH]n1 1299099266 HYCPFLXSSBPHKF-UHFFFAOYSA-N 423.267 1.815 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300364139 IBIHNDXQLVEJQN-SFHVURJKSA-N 408.506 1.943 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300458893 NKNDQTFEZRTZPW-YESZJQIVSA-N 423.583 1.137 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300488846 WXZGICCCCBHCKT-MRXNPFEDSA-N 420.510 1.874 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1300618272 CPCRIFNMPMRZRU-UHFFFAOYSA-N 415.567 1.794 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1300973399 VXCPFXLFZYGIJM-QGZVFWFLSA-N 411.572 1.999 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1300982563 LJYQJKWRGGLBJH-UHFFFAOYSA-N 407.478 1.589 30 10 HDEE COC[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1300996825 COHYGHHRBJCQFI-WBVHZDCISA-N 424.509 1.105 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1301272361 GKUNAAGBVOBVTJ-IAGOWNOFSA-N 412.604 1.879 30 10 HDEE Cc1noc(C)c1COc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304273338 WGCSWBHXHHZIRY-MGPUTAFESA-N 415.471 1.881 30 10 HDEE Cc1noc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)n1 1304895803 CXDGNIPMRSGROM-OCCSQVGLSA-N 407.500 1.100 30 10 HDEE C[C@@H]1Cc2ccccc2N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1307378591 JXOXFLKWUJLBBG-CQSZACIVSA-N 424.457 1.201 30 10 HDEE COCCOC[C@H](O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1307653548 HJHZPVGHOMWBPP-QZTJIDSGSA-N 412.328 1.655 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1310744981 FIJFAAONAAEJOI-AWEZNQCLSA-N 410.316 1.492 30 10 HDEE CCN(CCCn1c([C@H]2CCCCO2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1313799652 FHXYXRVLJKXRJX-HZPDHXFCSA-N 412.560 1.930 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1314345069 SPGDDRQAOOZGDK-RDTXWAMCSA-N 416.448 1.613 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1316173606 GMTYIDDLGNTPGK-QINHECLXSA-N 407.515 1.672 30 10 HDEE Cn1nc2c(c1C(=O)Nc1cccc(C#Cc3ccccn3)c1)CS(=O)(=O)CC2 1348768070 PWXIXVQKGGFBMF-UHFFFAOYSA-N 406.467 1.938 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2nn(C)c(C)c2Cl)c1 1356458602 YMFXUSJFVOWWJB-UHFFFAOYSA-N 400.866 1.869 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1358962195 MASYNSYTPHBACW-XHSDSOJGSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1358968312 GZPRJFZWBZAYQS-KRWDZBQOSA-N 419.551 1.237 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1358999337 NXNRATBUPSFVBP-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(C)on1 1359048826 CAUBPJAROXXXCK-ZDUSSCGKSA-N 412.541 1.188 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359057405 YUGNOILSQUXLJE-DOTOQJQBSA-N 402.524 1.460 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@H]2C[C@H]1CO2 1359333927 OMHDPNROGJDJIM-IRXDYDNUSA-N 420.510 1.976 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1 1359852026 QAOHARKECDAXRB-LJQANCHMSA-N 407.536 1.948 30 10 HDEE N#CC1(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCSCC1 1359936172 RDSPRKOOMIIIMY-MRXNPFEDSA-N 416.551 1.435 30 10 HDEE C#C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H]1CCCO1 1435965063 GYNDOXQTKBOLOJ-NVXWUHKLSA-N 418.291 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnnn3CC3CC3)C2)C1 1448111965 IHUPKWIWKOTCFU-CHWWFWEZSA-N 415.498 1.486 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 1449420549 DEDQHJQJBWLNOW-UHFFFAOYSA-N 407.224 1.950 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)nc1O 1453826230 FSNCEGSJLFBZOR-SFHVURJKSA-N 417.425 1.108 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1453842130 SNLHILHVRLXSBG-HOTGVXAUSA-N 406.504 1.085 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)Cc3ccc(S(=O)(=O)CCO)cc3)cn2)cc1 1455000384 GBODRINFRJCCOU-UHFFFAOYSA-N 424.482 1.750 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1455493495 JAYOROXFNNLYQZ-HUUCEWRRSA-N 403.545 1.634 30 10 HDEE COc1ccc(C(=O)Oc2c(C)nn(CCC#N)c2C)cc1S(=O)(=O)N(C)C 1463287464 KENHCRONGORDRA-UHFFFAOYSA-N 406.464 1.892 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)cc2C1 1464024929 HUVYDRFLMZTXRU-QGZVFWFLSA-N 419.528 1.878 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 1466123155 RGWRGLPFZZMQNN-HNNXBMFYSA-N 411.462 1.834 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1466756858 VAELZGMTPIHOHT-MRXNPFEDSA-N 415.556 1.471 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)CC1 1467990843 FLWZWUPGKYUFOJ-UHFFFAOYSA-N 405.885 1.276 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCC(=O)NCCN1CCCCC1 1468041202 DDQJRTOIAZIDDD-UHFFFAOYSA-N 423.311 1.418 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Cc3ccccc3)(c3ccccc3)C2)C1=O 1468998358 UFMBKDTYLNVINA-UHFFFAOYSA-N 417.465 1.986 30 10 HDEE O=C(NCC[S@@](=O)CC(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1470775570 JZIWCWFXTMYXKU-RUZDIDTESA-N 401.348 1.525 30 10 HDEE C#C[C@@H](NC(=O)NCc1c(I)cnn1C)C1CCOCC1 1470863786 HFOMFRZETYKVTQ-GFCCVEGCSA-N 402.236 1.252 30 10 HDEE CCOc1ccc2c(c1)[C@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CCO2 1478490311 JNHBVWACWRYHEK-MRXNPFEDSA-N 411.418 1.309 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1478651465 SATRRRKIDXBEIS-QGZVFWFLSA-N 402.543 1.763 30 10 HDEE C#C[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1478895495 DUYPFLSXYSOKEB-SFHVURJKSA-N 416.459 1.889 30 10 HDEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1492557323 GUYDAUMNXNOSEK-AUUYWEPGSA-N 403.508 1.399 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCc1ccco1 1499154818 ZADVKAWYPVBJAE-UHFFFAOYSA-N 419.489 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1507520869 HLDHBSFYLUNCQB-OAHLLOKOSA-N 412.450 1.560 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCCN1CCCO 1507619082 VKDCSTNWQXJDCS-GOSISDBHSA-N 401.486 1.912 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@H]1CCS(=O)(=O)C1 1507631871 URFMCPMJSUPQFE-AEFFLSMTSA-N 419.551 1.041 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=C)Br)CC1 1507719283 MQCFPDJHRFSRFP-OAHLLOKOSA-N 412.332 1.666 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507755289 LQJDUVZEBMEIFI-UHFFFAOYSA-N 424.578 1.837 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(S(C)(=O)=O)CC1 1507956665 DFDQCURDRBJUGZ-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C)C1CC1 1507992327 BMSZNAJWYFUDEU-UKRRQHHQSA-N 407.540 1.250 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1508729357 GDDJRYOTUZXEAG-KRWDZBQOSA-N 422.493 1.933 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccn(C)n2)CCOC1 1509819333 ULSUWMRVVVQZOY-FXAWDEMLSA-N 415.498 1.024 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509963869 HHFBWJMXZKIFHF-RCDICMHDSA-N 421.505 1.528 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1517607314 ABUONNURCRZYDF-UHFFFAOYSA-N 419.493 1.368 30 10 HDEE N#CCc1ccsc1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1526813739 BRVAAAJTPCDGLU-UHFFFAOYSA-N 419.532 1.091 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1cccc(Br)c1 1527510591 OBEMEWSOXQBJIR-RYUDHWBXSA-N 405.212 1.144 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3COC4(CCC4)C3)CC2)cc1 1533512196 UIIPNXQBHWMCAC-QGZVFWFLSA-N 403.504 1.787 30 10 HDEE COC(=O)c1ccn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 1534147072 RIHNXBVAHNVLHB-PGMHBOJBSA-N 419.463 1.121 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1534774218 OFTONBKMHBQDGE-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1535157964 XHZAXRZJWIRCNX-SFHVURJKSA-N 407.536 1.948 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1539116319 LVXGAVLCIQQLIL-UHFFFAOYSA-N 424.553 1.529 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1539370297 UJKVCGGWJLIWBZ-HZPDHXFCSA-N 400.504 1.816 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O 1539595772 ZARSVKTZMKIOCG-LLVKDONJSA-N 420.333 1.009 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539630237 DIZOJZPSXVPZJU-YWTNHNAXSA-N 404.511 1.887 30 10 HDEE Cc1cc(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)ncc1C#N 1539697018 NOQFTLURTKICTK-UHFFFAOYSA-N 401.444 1.640 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C1CCOCC1 1539809041 ZTLMSRDNWRFVAO-IBGZPJMESA-N 406.504 1.174 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539917361 CDKLROPREPDDJN-RBSFLKMASA-N 405.499 1.192 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1540128039 XYHPQAUPZQJEDS-UHFFFAOYSA-N 407.482 1.279 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCOC2)CC1 1541005524 UMTCGSOTSRDYCV-HXUWFJFHSA-N 423.521 1.206 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1541031998 FPYJQXMWBGEOAM-QZTJIDSGSA-N 407.478 1.200 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(C(=O)N(C)C)c1 1543249458 SLDLLCOGCYXRJB-UHFFFAOYSA-N 417.473 1.872 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@](C)(C#N)CN(C)C 1544116639 CYFACWYRVOEANK-HNNXBMFYSA-N 402.314 1.735 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 1546036130 KUDYWYVEKLTBEO-UHFFFAOYSA-N 411.483 1.477 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1(C)C 1554365027 XDBDUQJIKIJVBP-LJQANCHMSA-N 415.586 1.938 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1Cc1ccc(C#N)o1 1555665399 SCPLWGMSBSIWHG-CQSZACIVSA-N 414.466 1.326 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCc2cccc(F)c2Br)CC1 1556504173 NLNMPRZOFGUAGX-UHFFFAOYSA-N 410.287 1.414 30 10 HDEE CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1556782446 IFJWLVCXKPONOA-CVEARBPZSA-N 405.520 1.996 30 10 HDEE C=CCC[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1558672288 OAZANYBJODPJNU-CQSZACIVSA-N 400.522 1.326 30 10 HDEE C[C@@]1(CO)CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@]1(C)CO 1561826742 HCMPDWVZRBVREH-GASCZTMLSA-N 403.298 1.322 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)cn1 1568549505 ZXJAGAROQNVGDM-RDJZCZTQSA-N 403.527 1.358 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)cc2)C1 1569676249 QIMMMEWJLOFUPI-CPUCHLNUSA-N 409.508 1.463 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c1 1570372196 CTMNVUUOEHMGNX-UHFFFAOYSA-N 423.535 1.927 30 10 HDEE CN(Cc1ccc2nc(NC(=O)Cn3cc(C#N)c(O)nc3=O)sc2c1)C1CC1 1584122534 NPEFFZDPJBWHJX-UHFFFAOYSA-N 410.459 1.663 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1584398260 NQJJSXUVJCMGPZ-WBMJQRKESA-N 413.927 1.968 30 10 HDEE Cc1cc(C(=O)NC[C@]23COCCN2C(=O)COC3)c(C)n1-c1ccc(C#N)cc1 1587489735 RTVDIXBTIKYULA-JOCHJYFZSA-N 408.458 1.323 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccccc3)cc2OC)CC1 1588199716 WOZHRNMPMVTGOZ-UHFFFAOYSA-N 419.528 1.649 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1589068687 CQSGEWLLAWVKDD-OAGGEKHMSA-N 412.581 1.550 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1589116780 NFKAHYUGDGIPEZ-UHFFFAOYSA-N 403.483 1.641 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cccs2)CC1 1595603155 YVZPVEOMGFUUTJ-QGZVFWFLSA-N 416.551 1.816 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1617347965 BXVOOZIAJDVESX-QFBILLFUSA-N 424.571 1.584 30 10 HDEE CC(C)NC(=O)CN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1618760683 AOLWMLLXYXCAKK-UHFFFAOYSA-N 420.554 1.306 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCCC1 1619980072 BSRJKTDPUCRRSL-HNNXBMFYSA-N 404.515 1.788 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1623645286 YHKIGZWOSGVXRY-IRXDYDNUSA-N 406.527 1.104 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(I)cc2O)CC1 1623973487 IESFMKRBILHDPN-UHFFFAOYSA-N 414.199 1.916 30 10 HDEE C=CCOC[C@@H](NC(=O)C1(COC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1626204791 NBNCRITZTUXPBB-OAHLLOKOSA-N 414.499 1.511 30 10 HDEE C#CCN1CCCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 1628354249 CDPLJHZBVISPSL-UHFFFAOYSA-N 415.881 1.604 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1630164703 QDRIJJGHORBKKI-GHMZBOCLSA-N 423.354 1.717 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc(OC)c1OC 1630468874 BTOYUQVGFBKRAO-UHFFFAOYSA-N 423.535 1.752 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)s1 1634255532 URXWYLAPHBTLNC-UHFFFAOYSA-N 404.517 1.648 30 10 HDEE N#CC1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCSCC1 1634475826 OLPSOUSVQRXNDW-UHFFFAOYSA-N 414.475 1.001 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCc4c(cccc4C(N)=O)C3)C2=O)cc1 1634919351 YWWWIDBTYSGTBY-HXUWFJFHSA-N 417.469 1.526 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)NCC(=O)NCC#N 1634922312 UITRJCZLYGTRSF-OAHLLOKOSA-N 400.435 1.625 30 10 HDEE N#C[C@@H](CO)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1635477248 RCZMGZRSBLBYPX-INIZCTEOSA-N 407.879 1.532 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1635995200 WYDJWHSQDSEWCR-DOTOQJQBSA-N 411.483 1.019 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc(N(C)C)sc3C2)cc1 1637109723 YTNZJXRIEBWQSF-UHFFFAOYSA-N 404.517 1.319 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN2CCSC[C@H]12 1638408388 YYAUURHSGATHEL-HLLBOEOZSA-N 401.540 1.148 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](C)O)C1 1640073497 SUIGXUCERZUOOR-VFNWGFHPSA-N 420.465 1.481 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 1640218053 BTXQWDWUFRFRED-UXPWSPDFSA-N 405.458 1.566 30 10 HDEE CC(C)(C)N1CC[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1643607005 XVVMRCWOONCHEI-CQSZACIVSA-N 406.508 1.021 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1=O 1643675999 SJXUAUFTZKFXLZ-BTYIYWSLSA-N 412.446 1.268 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 1643858606 JXEODOZWBNKJSN-OXJNMPFZSA-N 403.435 1.064 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2ccc(C(C)(C)C)cc2)CC1 1644285591 RQRBARZZHPAGAF-UHFFFAOYSA-N 423.604 1.829 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc4nccc(C(F)(F)F)n4n3)CC2)cn1 1644913937 BAOGBWJTKIQREB-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE COc1cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)sc1S(N)(=O)=O 1648719726 WAUCUJCTLKHYHS-QGZVFWFLSA-N 406.489 1.497 30 10 HDEE Cc1ccc(C(=O)NOc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1648727358 WYGMEPJGNWULIK-UHFFFAOYSA-N 401.444 1.611 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)NC)Cc2ccccc2)s1 1649206825 IVFHSTRWHUCTIU-UHFFFAOYSA-N 421.544 1.530 30 10 HDEE N#Cc1cnc2c(Cl)cccc2c1N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 1655348363 GRQWSZTXJCQYES-UHFFFAOYSA-N 403.855 1.389 30 10 HDEE N#Cc1ccc([C@H]2CN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CCO2)cc1 1656289116 LBKQGHCFVYNCLQ-OAQYLSRUSA-N 410.518 1.793 30 10 HDEE C#CC1(O)CN(C(=O)Nc2c(C(=O)OCC)nc3c(Br)cccn23)C1 1664649710 DWNAPIRBTVUZFU-UHFFFAOYSA-N 407.224 1.485 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CS1(=O)=O 1671875551 XCMUEVHPMXZQNX-AKBUMOGYSA-N 406.508 1.908 30 10 HDEE N#CC1(CNC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCC1 1677791188 HNQQFPVWROKVCF-INIZCTEOSA-N 406.508 1.637 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CCN1Cc1ccccc1 1685645688 WOWVRTZMGWXFRW-MSOLQXFVSA-N 407.478 1.180 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689992116 HWDMRGJBKNDARH-MSOLQXFVSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1690009723 HVQIEYAVJUIWIX-UHFFFAOYSA-N 400.364 1.568 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(C)(C)C(=O)NCC)CC1 1690137423 YKVPWKBTRNZKBN-UHFFFAOYSA-N 402.543 1.530 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C)CN2CCCC2)CC1 1690152287 FVIWCZSSMISXGL-GOSISDBHSA-N 416.570 1.512 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)OC)C1 1690220014 PPWLOVQWDNGLFI-QWHCGFSZSA-N 417.304 1.910 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690315994 RZJIMYBRLKRAFH-SFHVURJKSA-N 411.510 1.413 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690495554 DUGWRNVYOYINGT-DYESRHJHSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690669659 LKRRXOIVTPPZSD-QGZVFWFLSA-N 402.543 1.396 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1690669826 PXNFPQINHAMBCE-UHFFFAOYSA-N 408.506 1.349 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1696045659 GFLRNAZGTXDIHS-HRAATJIYSA-N 416.526 1.585 30 10 HDEE CCOCc1nnc(N2CCC[C@](C)(OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696301226 JXRGONDUGOKLKC-IVFAQJDTSA-N 418.498 1.346 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1697988912 OAMJPSNZVSQIKY-KDURUIRLSA-N 412.494 1.347 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCCCO1 1698171186 XFARPVSSROOELL-QRQLOZEOSA-N 418.542 1.748 30 10 HDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 1705534931 WCGCULMZAQTHIP-UHFFFAOYSA-N 404.559 1.165 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1705618701 QWARBJLAJWNGJN-UHFFFAOYSA-N 422.468 1.470 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705653316 FAFAIXVMRPADIF-LSDHHAIUSA-N 409.512 1.009 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccco1 1705707547 NAQUMUSAEUVWNJ-UHFFFAOYSA-N 400.483 1.940 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1COCCO1 1705710863 SIXNNDPHONQXHP-GJZGRUSLSA-N 401.533 1.096 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1705735533 SYAAXRJVBGSLEC-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705825508 VRTQZIXHRXKRKD-FQEVSTJZSA-N 404.515 1.069 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@H]1C)C1CC1 1705856351 PTBSHXGTDXNEKB-AOIWGVFYSA-N 405.543 1.878 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1705924067 AEENHTAQWDSOJN-BRSBDYLESA-N 424.567 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCCC2)C1 1705929620 UIOOFIOUKTTZEI-QGZVFWFLSA-N 403.527 1.877 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1711104750 GUGUACJQIRRALD-NRFANRHFSA-N 407.478 1.992 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1712882487 HWHCSAUPJCYUOB-IAGOWNOFSA-N 423.539 1.116 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722316566 FMBVJJXAYCJUBI-HXUWFJFHSA-N 422.533 1.895 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](C)N1CCOCC1 1722343024 FEOJAOUDEUUCLF-AWEZNQCLSA-N 421.343 1.836 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1722345114 WTWSCFHOWZPGDC-DYESRHJHSA-N 413.526 1.402 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722367803 OJONMXZERIKJFU-QGZVFWFLSA-N 418.567 1.584 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722369011 XUADXGRYJMRCOG-KRWDZBQOSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCCN1CCC[C@H]1CO 1722395643 MUJPRNFQJPTGRT-FQEVSTJZSA-N 408.550 1.983 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cn2ccc(C)cc2n1 1722426578 DUCPJVUKCSJQCP-UHFFFAOYSA-N 421.505 1.491 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCS(C)(=O)=O)CC1 1722446858 AJSLXTHBBFNAFB-UHFFFAOYSA-N 421.567 1.336 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOC(C)(C)C2)CC1 1722577993 VZUQTKSNDPJTNU-QGZVFWFLSA-N 402.543 1.742 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722628379 BETTYEYLSYYTHU-ZWKOTPCHSA-N 413.526 1.447 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1722671121 JNKMNCCRGXVMDW-ZWKOTPCHSA-N 402.543 1.764 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CCO1 1722841717 FGJKIYHCNTWSIL-QGZVFWFLSA-N 423.502 1.663 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCc2nccn2C1 1730762261 CDAHWRIKZYNRBK-QZTJIDSGSA-N 413.526 1.998 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCN(C2CC2)C1 1740603286 MIWUUYKSVDOBOA-MRXNPFEDSA-N 413.547 1.902 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CC1(C(N)=O)CCOCC1 1740612673 GOLXCVGXRMWNBI-UHFFFAOYSA-N 411.506 1.825 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1740636734 ARAJECCZVMUEHR-HSZRJFAPSA-N 402.502 1.576 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCSCCCO)CC1 1740697950 JTFOMOAGMBTKJX-UHFFFAOYSA-N 400.552 1.135 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1740772175 GICOHCOJBSPNQO-RMYFCYLKSA-N 413.482 1.158 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740779205 UUXNIBJUWYGPCA-OAHLLOKOSA-N 424.571 1.446 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740885045 VKGLBIXAIWLUQE-IBGZPJMESA-N 420.539 1.286 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740896865 LKQIWCZURWJGDR-QGZVFWFLSA-N 400.531 1.244 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1740904531 NLTDTCSYMXQUJV-HXUWFJFHSA-N 420.535 1.591 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C)C1 1740960617 WDZGQCFDRCLRHV-KRWDZBQOSA-N 424.553 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C(C)=O)CC1 1740989624 STSYSKDWAPXJAG-UHFFFAOYSA-N 421.498 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740993888 FRNQHRPERGEQRA-AWEZNQCLSA-N 423.564 1.198 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1741284282 CIIXORDSXCOSBU-OAQYLSRUSA-N 415.542 1.806 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CC1 1748989876 DEOFRXPBZAYNEN-LJQANCHMSA-N 414.554 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2cnn(C)c2)CC1 1749016531 FZQGDNZEZIDVFS-UHFFFAOYSA-N 418.505 1.012 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C(=O)NC 1749135888 JGYCQRXOVIUIKB-MDZRGWNJSA-N 418.542 1.200 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749409616 WSQCTGDYRSHJOT-UWJYYQICSA-N 418.542 1.889 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1749669733 NAJCJEGYDCVEDG-HXUWFJFHSA-N 424.549 1.449 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[C@@H]1CC 1749738560 PXPHDVMSNHHMSU-HOTGVXAUSA-N 409.556 1.626 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1749751307 PVKLVWLXTADXOJ-MRXNPFEDSA-N 404.540 1.544 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1750340570 PJPFOOGOEMYXJH-ZTFGCOKTSA-N 415.519 1.865 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CC[C@@H](C(N)=O)C2)o1 1750384357 XCRLJQVVHHFHPP-CYBMUJFWSA-N 410.409 1.821 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1750385585 RWEGEFKCZUGWCQ-KBPBESRZSA-N 415.466 1.344 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)n1 1751844796 BZCOBSGOANMMTP-IBGZPJMESA-N 400.462 1.108 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1760099283 ZUVKLGBYDRZLKO-HRCADAONSA-N 419.555 1.429 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1760101943 CQIILFMSOWIHAO-LOKFHWFJSA-N 420.560 1.718 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760137406 JLEFCNGJUOAOSZ-GOSISDBHSA-N 423.583 1.741 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1760143216 ZEFXXARUHUHLSE-SFTDATJTSA-N 401.511 1.593 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760151855 QHYYGNYKURIZPN-LJQANCHMSA-N 407.522 1.496 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCN(C)CCOC)CC1 1760260139 LXPHBUVPWJACGE-UHFFFAOYSA-N 421.549 1.760 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1760272569 OQTPXRGBWJMJRX-CQSZACIVSA-N 402.528 1.253 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760277455 LIKNXCDHCBOBGK-HZPDHXFCSA-N 424.534 1.901 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760279014 OLBAIKDSZYFPJD-SFHVURJKSA-N 412.563 1.865 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760327304 FXIAOFFQUGUWGE-MIALQEHNSA-N 403.527 1.853 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1760510236 MRKUEERMFAOWTI-QGZVFWFLSA-N 417.535 1.787 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCOC 1760521249 NKQGKQNVLHNGNB-UHFFFAOYSA-N 411.466 1.369 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnnn2C)C1 1760547338 IPRRCCWMIDNGGA-SFHVURJKSA-N 413.457 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](COC(C)C)C2)nnc1C(C)(C)C 1760558377 NFZFFOCVYNZYHX-MRXNPFEDSA-N 414.572 1.807 30 10 HDEE CCCN1CCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1764487825 CTBIVVNJAZXYNN-OXJNMPFZSA-N 403.506 1.717 30 10 HDEE CN(CC1CCOCC1)c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1767255658 FCXSUPFOZQZEAB-UHFFFAOYSA-N 422.493 1.883 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCCC1(C)C 1769844770 DGZSCBGVHLDNBW-QRWLVFNGSA-N 404.515 1.537 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770744310 IPIIOJURZOXGSG-GJZGRUSLSA-N 401.471 1.248 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCC2(O)CCOCC2)CCO1 1771538249 AALPCWQOACZFAZ-MRXNPFEDSA-N 403.508 1.591 30 10 HDEE CN(C)c1ncc(C(=O)N2CCc3[nH]nc(C#N)c3C2)cc1I 1849427886 AXHLXYWWMGPAON-UHFFFAOYSA-N 422.230 1.545 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852424971 FIGQKWBWFPCBPK-RTBURBONSA-N 406.442 1.974 30 10 HDEE Cc1cc(N(C(=O)[C@H]2CN3CCN2CC3)c2n[nH]c(N=CN(C)C)c2C#N)ccc1F 1852497505 OSHYUFGUCHZYIL-GOSISDBHSA-N 424.484 1.615 30 10 HDEE COCCON=C(Cc1cccc(F)c1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853536906 LHALRAWPRMWBLP-UHFFFAOYSA-N 421.450 1.818 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1=O 1854218658 IWYMBNZEVWHXAQ-RTBURBONSA-N 415.490 1.172 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CC(c4nnc5ccccn45)C3)C2=O)c1 1854318760 HVRPGGZYNYMZFF-SFHVURJKSA-N 400.442 1.832 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)[C@H]4CCOC4)C3=O)CC2)c1 1854420100 ZJNTYXIJGRPCOD-OALUTQOASA-N 412.490 1.598 30 10 HDEE COc1ccc2ccccc2c1CCC(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854460565 DGFKTBQGJZULEA-UHFFFAOYSA-N 415.471 1.305 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)ccn1 1854507776 YFQKUDRMUBSUHB-QGZVFWFLSA-N 416.503 1.128 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc3c2N(C)CC[C@H]3C)CCN1S(=O)(=O)CC#N 1854607637 IMUNUQVDYNSZBP-KGLIPLIRSA-N 404.492 1.156 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3nccc(Cl)c3F)C(=O)C2)C1 1854940700 HOZXYCJAQVOBDZ-ZIAGYGMSSA-N 407.877 1.925 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN(C4C(=O)CCCC4=O)CC3)CC2=O)cc1 1855803196 LUUHCBMKMBSHPT-GOSISDBHSA-N 407.470 1.950 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)c3nccc(N4CCOCC4)n3)C2=O)CC1 1856516121 UUDSTSNQDOPERD-GOSISDBHSA-N 413.522 1.877 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(Cl)ccn2)C1)[C@H]1CCN(C)C1=O 1857069070 UUTHUIYLHJAESK-YOEHRIQHSA-N 404.898 1.833 30 10 HDEE CC(C)n1nc(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)ccc1=O 1857281218 ISTGBXSGAYCXPW-DLBZAZTESA-N 411.506 1.829 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857317327 XJLLVVWOAFOCNK-BEFAXECRSA-N 419.472 1.991 30 10 HDEE CCc1ccccc1N1C[C@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857325810 ZVWCPHRVOKLLIV-UYAOXDASSA-N 408.502 1.965 30 10 HDEE C[C@H]1CCN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857335175 ZRCBWJIUXAXXAS-QFBILLFUSA-N 417.531 1.375 30 10 HDEE Cc1cccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c1 1858323346 XUQZVCVFLCJVTR-INIZCTEOSA-N 405.501 1.608 30 10 HDEE COCC(=O)NCc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2C#N)cc1 1858671065 DKOHBHMRKJZWDD-UHFFFAOYSA-N 402.432 1.331 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NCCN(C)C)c(C(=O)OCC)c1C 1860761470 VKCOUGOKPPOSAP-UHFFFAOYSA-N 411.480 1.192 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861204596 DZZPFHNGKWZFNE-WMZOPIPTSA-N 420.941 1.605 30 10 HDEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)CCN2CCOCC2)CC1 1868116623 XODPAYZSZIIBCK-UHFFFAOYSA-N 417.506 1.023 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1C[C@@H](C)C[C@@H](C)C1 1870582000 NGSLRFPBYCXAEY-HDICACEKSA-N 403.523 1.750 30 10 HDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889404457 ZPMLISIVWDJAFL-IBGZPJMESA-N 417.525 1.851 30 10 HDEE COc1ccc2c(CC(=O)N3CCN(c4ncccc4C#N)CC3)cc(=O)oc2c1 1892363938 SZJZAGVNCPXZBK-UHFFFAOYSA-N 404.426 1.960 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C3CS(=O)(=O)C3)c2)OC1(C)C 1918014086 HVSNSQRTDPQGIJ-UHFFFAOYSA-N 421.733 1.178 30 10 HDEE C[C@H](C#N)S(=O)(=O)N(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1957294679 TYRULMBQZCGYNE-OAHLLOKOSA-N 409.508 1.712 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985097823 LKVYJDOAUBVGDV-UHFFFAOYSA-N 411.308 1.178 30 10 HDEE C#CCOCCOCCNC(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1988513752 VGPMWXLGJGUEKL-IBGZPJMESA-N 420.506 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1993234610 CJENYGVWBUJTNB-ZNMIVQPWSA-N 424.498 1.328 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010391578 SUAAORPEBPVIDQ-AWEZNQCLSA-N 416.287 1.890 30 10 HDEE C=C[C@@]1(O)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074497063 AOUPLAZOOMERJA-RTBURBONSA-N 410.467 1.354 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2085615081 YCTIKGHAQHOQFF-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)CC1 2118162568 KLWUXNUOTWDEBR-SFHVURJKSA-N 422.507 1.094 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)c1ccc(C#N)s1 2118169060 VVJDLWOFGMQMBW-LBPRGKRZSA-N 400.526 1.449 30 10 HDEE CO[C@H]1COC[C@H]1N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2120780860 UPQYQEDGCGVQNR-KGLIPLIRSA-N 413.121 1.993 30 10 HDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NCCS(=O)(=O)c1cccc(C#N)c1 2174567157 CLONAIZXQLSHLT-SANMLTNESA-N 415.537 1.954 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)COC1(C)C 2174780700 XGWUQLOPLOJCAE-UONOGXRCSA-N 402.517 1.428 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782252 OOXGOEAWPQYRTR-WHDAMIPWSA-N 421.541 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N(CCC#N)CC(F)(F)F)CCS(=O)(=O)C1 2181106977 BVWZFQMMJQKPCV-AWEZNQCLSA-N 413.418 1.373 30 10 HDEE C=CC1(NS(=O)(=O)c2n[nH]cc2C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 2196123035 VTYPFOLQZJGGNW-UHFFFAOYSA-N 400.457 1.040 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827907 KNEILLYEXOWEKC-HXUWFJFHSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247937791 PKIYEECJEAJXSG-YCRPNKLZSA-N 420.315 1.763 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C#N 2258198682 FRNRTODIVVZQFU-BZNIZROVSA-N 415.393 1.574 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267367717 XVROFTSOVDEWQP-DEOSSOPVSA-N 408.376 1.053 30 10 HDEE C[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267705083 VGCFRRPTWANPAO-UWVGGRQHSA-N 407.750 1.845 30 10 HDEE COCCSCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267718284 QXTWRKBYSTWHCK-UHFFFAOYSA-N 407.388 1.705 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270540576 PLLAFLBBMJWLCE-QGZVFWFLSA-N 424.519 1.766 30 10 HDEE Cc1c(C(=O)N2CCC[C@@H](C3OCCO3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2281800692 MKHVEZYPVVSMCO-CQSZACIVSA-N 405.304 1.253 30 10 HDEE C[C@H](CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281827551 XBUXHIZXVHTUQI-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2281957019 GOAKEACIJSCSET-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282311165 DTPFVAFDUMXLHB-NEPJUHHUSA-N 418.415 1.337 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1(CO)CCC1 2282317274 OSWSAXFTUCVAHY-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)CC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282321303 VRSOOMYXWJVCKA-LBPRGKRZSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC(CCN)CCN)cc2Cl)OC1(C)C 2282827746 COWYUEAKSQDMFG-UHFFFAOYSA-N 423.797 1.045 30 10 HDEE CN([C@H]1CCC[C@@H]1O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845390 ROOOSAOQPSESIT-STQMWFEESA-N 402.347 1.117 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@@H](N)CC2)OC1(C)C 2282848637 QBWVVOUBOVWTQJ-CHWSQXEVSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)[C@@H]3CCNC3)s2)OC1(C)C 2282851450 BWVVZSBMBZZGSH-SSINHNECSA-N 420.387 1.196 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)S(C)(=O)=O 2282857181 DQKFLZFOMNRXKB-GHMZBOCLSA-N 423.387 1.147 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](C)[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282872309 UXARCQKSDXPNQF-REFGNXHDSA-N 421.415 1.709 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284401334 HOCOIDGHODXFSN-WCBMZHEXSA-N 421.733 1.842 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284402215 HQPFJIBHNZIPKR-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3C[C@@H](CC(=O)O)C3)c2)OC1(C)C 2284408313 VFPDLHNDBHDWKJ-KLPPZKSPSA-N 401.315 1.579 30 10 HDEE CON(CCC(=O)O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284411109 ZIXCOONGJZGBGM-UHFFFAOYSA-N 405.303 1.383 30 10 HDEE C[C@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284411420 JZBFBQQYJMZTBG-CMPLNLGQSA-N 401.315 1.674 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H](O)C[C@@H]1C(F)(F)F)C(F)(F)F 2294643604 UPGSXDFWJCMTHV-MYINAIGISA-N 404.229 1.900 30 10 HDEE COC(=O)c1ccc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1 2296262909 PMDPENFTUGMOIM-QGZVFWFLSA-N 415.398 1.497 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(F)C[C@H]3CN)s2)OC1(C)C 2296502566 DBTXEFWFXYGOEQ-JTQLQIEISA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(F)(F)[C@](C)(N)C2)OC1(C)C 2362003094 ZDZSAUHYDYALCO-CQSZACIVSA-N 408.301 1.404 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363694669 PHYWIHSWFDPGBR-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2C1 2365195480 BRDVSTSISYERLX-YGTYGHESSA-N 400.541 1.148 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365207059 LEZYANFRMAPFLD-MRXNPFEDSA-N 401.573 1.377 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367798504 QZXQSXSQCKZVAX-HRCADAONSA-N 400.541 1.747 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)C1 2368805805 MLGREWFYAKDKJW-OZIGNCPNSA-N 412.490 1.611 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3)n2N)cc1 20291717 BMDTXHHNKQDJEM-WSDLNYQXSA-N 411.491 1.855 30 10 HDEE Oc1ccc(Cl)cc1/C=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1 59502964 VZEFARYIGDSIAK-NDENLUEZSA-N 419.873 1.350 30 10 HDEE C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 238747100 BZQDHZDSIXPDSS-BWSBUGDESA-N 422.430 1.187 30 10 HDEE COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427103415 XJFNGGBVQPKFAL-GFCCVEGCSA-N 424.504 1.376 30 10 HDEE Cc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427254985 BRXKVXDOLCTIAX-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE CC(C)CN(C(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@@H]1CCS(=O)(=O)C1 428810120 XMPHZCFMSOOLRV-MSOLQXFVSA-N 420.535 1.078 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(NC(=O)C(C)(C)C)n2)CC1 463352134 YKCHSFFNKIEHME-UHFFFAOYSA-N 407.540 1.117 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466102792 MDIJDKYEDXSNDC-KRWDZBQOSA-N 413.522 1.712 30 10 HDEE C=CCCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 468375283 XVBMMBRNDIAAGH-UHFFFAOYSA-N 403.298 1.885 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCNC(=O)c2cccc(F)c2)CC1 477338710 NBNOWGMVEDQCDJ-UHFFFAOYSA-N 410.453 1.744 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(/C=C/c3ccco3)s2)CC1 486904776 WXZJQCKHFFFFEF-AATRIKPKSA-N 402.480 1.753 30 10 HDEE N#CCCC[C@H](NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 487346714 RQESLAGKWAZZBO-SQNIBIBYSA-N 403.504 1.573 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497554759 KGMUWDQDNDUIPA-UHFFFAOYSA-N 406.492 1.955 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)CC1 503623615 FJLCXKACWNVRNI-CYBMUJFWSA-N 419.279 1.386 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)CC(=O)NC(C)(C)C 506864768 KMCXSKRLZKOARJ-HNNXBMFYSA-N 420.491 1.665 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(SC)cc3)C2)CC1 512598340 TYLSNJMACOXWEU-INIZCTEOSA-N 416.547 1.208 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 532195730 RMAFQHBNFWQXIV-UHFFFAOYSA-N 421.478 1.827 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)CC1 537758419 DYSQWUIGDFJRFG-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE Cc1nc(SCC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c(C#N)c(C)c1C 553247532 DKILKCQJHCOELS-OAHLLOKOSA-N 410.565 1.901 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C2CCOCC2)CC1 554560053 VGJAZFORXOQHLI-OAHLLOKOSA-N 405.520 1.890 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 555264865 AJOWJEUIVCFCRV-KURKYZTESA-N 423.583 1.303 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNS(=O)(=O)CC1(C#N)CCC1 562006310 XZGDTBSANNNELH-UHFFFAOYSA-N 405.929 1.540 30 10 HDEE COc1cc(CNC(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N 566652703 YDUTVLKXUMXVEH-MRXNPFEDSA-N 413.522 1.841 30 10 HDEE Cc1cccc([C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)c1 585715839 NFRPLMGSEJWZMX-NRFANRHFSA-N 424.476 1.812 30 10 HDEE COc1cccc(/C=C/C(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585828284 QTJYIVDLVCVHCH-HZVYYCNASA-N 421.497 1.944 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(Cc3cccs3)CC2)CC1 604185719 WADMASYLVZVMMT-UHFFFAOYSA-N 419.595 1.590 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)NCCCN2CCCS2(=O)=O)cc1C(F)(F)F 610376892 LOTFSEOOMHYCLM-UHFFFAOYSA-N 418.397 1.057 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC)CCN2C1=O 619815637 CBKBIYUYDRSDTH-INIZCTEOSA-N 409.450 1.221 30 10 HDEE COCC#CCOc1c(Br)cc(S(N)(=O)=O)cc1Br 696531729 HOHAJHDKGRXCPD-UHFFFAOYSA-N 413.087 1.888 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCC(=O)c2ccc3c(c2)CCCC3)CC1 729257406 BKZJRVGIWSIPFD-UHFFFAOYSA-N 409.530 1.812 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 729331998 SNAIOLMVIDUODZ-WMZOPIPTSA-N 403.504 1.579 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)N(CC)CC)ccc1F 731884700 WKOIZYZDYAMMGA-INIZCTEOSA-N 411.499 1.763 30 10 HDEE CN(C)S(=O)(=O)c1ccc2oc(=S)n(CN3CCN(C4CC4)[C@@H](C#N)C3)c2c1 732672430 IXHOESYYAANMOM-AWEZNQCLSA-N 421.548 1.844 30 10 HDEE CCn1nc2c(cc1=O)CN(CC1=CC(=O)n3c(nc4ccccc43)[C@@H]1C#N)CC2 742428520 VVZRIOPZAPVLMY-MRXNPFEDSA-N 400.442 1.859 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)sc2c1CCC2 743908642 FYMPRJRCOUTJFH-ZDUSSCGKSA-N 416.503 1.551 30 10 HDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 746762467 YFQWXXNCPMFRFU-UNEBPCJRSA-N 411.506 1.819 30 10 HDEE COc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)cc1C#N 747447052 SNJXZXIDIAQIPC-UHFFFAOYSA-N 416.459 1.827 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(S(=O)(=O)CC)cc2)c1 749153857 ITHJVOVFJWFVCY-UHFFFAOYSA-N 420.512 1.403 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)N(C)C)[C@H]1CCOc2ccc(Br)cc21 752366797 ORCJZGVCUXBXEH-AWEZNQCLSA-N 415.309 1.626 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n2)CC1 756919379 CZRMEOBBYJJEDK-DOTOQJQBSA-N 414.510 1.322 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 758991348 BGCVMPRPDHAXNE-MWLCHTKSSA-N 414.384 1.852 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCO1 760506966 NHFAXSBFBCCGQD-WBMJQRKESA-N 410.496 1.324 30 10 HDEE CN1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 765311756 PWUVUZXWTNIEGF-CQMUMHJZSA-N 404.417 1.743 30 10 HDEE C=CCOc1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1OC 770370794 VMSNEOBXZGJFSB-VQIMIIECSA-N 402.403 1.993 30 10 HDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1F 771542533 XZJLUZPZZKNJQD-CQSZACIVSA-N 417.470 1.192 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cnn(CC(=O)NC2CCCC2)c1)c1ccc(C#N)cc1 772352640 LSDBSFQBGHPHDH-IBGZPJMESA-N 410.430 1.885 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774185078 FLYRAPJUESIQEI-GOSISDBHSA-N 403.504 1.535 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)CC1(C#N)CCCCC1 774213251 NSPOQLHTEGXRBE-AWEZNQCLSA-N 417.528 1.836 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccc(C#N)cc2)[C@@H](C)O)cc1C 777303046 APWPLXGPIGSVTG-DNVCBOLYSA-N 402.472 1.946 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCO[C@@H](C(=O)NC)C2)cc1OC 782090260 WOTYQVTUGGLWNQ-GOSISDBHSA-N 407.467 1.198 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@H](C(N)=O)c2ccc(C#N)cc2)C1 782417307 KPBHRTAJXSBVNG-INIZCTEOSA-N 403.435 1.654 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)c(Cl)c1 782806926 GXWQGMPBFCQOHQ-HNNXBMFYSA-N 423.864 1.535 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)cc1C#N 786988438 WKGVAFDJUBPPAY-UHFFFAOYSA-N 422.367 1.220 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C)n(-c3nc(C)cc(C)n3)n2)n1 788809882 JUFBFXZXEGQTAK-UHFFFAOYSA-N 407.478 1.706 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)n1 788821309 SVOJIPFLTFUOJO-INIZCTEOSA-N 421.494 1.883 30 10 HDEE C=CC[C@]1(C(=O)NCCN2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790506430 PUWAUWFJUYBSRH-LJQANCHMSA-N 415.556 1.179 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCSC2)cn1 794443178 YMBANBXBHSALTA-GJZGRUSLSA-N 424.596 1.408 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CN(Cc2ccccc2)CCC1(F)F 796375265 GHNAZQQSBCQOAW-IGGDJGDASA-N 418.444 1.786 30 10 HDEE C[C@@H](C(=O)OCc1nnc(C(=O)Nc2ccc(F)cc2)s1)n1cnc(C#N)n1 798747326 GSFIYTCVJOOZEN-VIFPVBQESA-N 401.383 1.697 30 10 HDEE C[C@@H](C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)n1cnc(C#N)n1 798748558 XUOTWBOLGDWREP-NZWMYCLXSA-N 400.439 1.049 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(Br)nc2OC)C1=O 799268116 GXPLGRBCPSOHIL-LLVKDONJSA-N 411.256 1.037 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc(Cl)c(F)c3)CC2)cc1 803151364 GWONRBQCATXNQB-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)[C@@H]1CCCO1 814391633 MVACFHBZIXZSKS-IRXDYDNUSA-N 400.522 1.080 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccccc1C#N 917798994 JTPYSQYDYJQLRW-UHFFFAOYSA-N 421.445 1.378 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1 1127464368 RPIXZZOBBXWLJN-UHFFFAOYSA-N 416.455 1.715 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ncc4c(n3)CCOC4)CC2=O)cc1Cl 1130582105 GISPVHWXLRAHNN-CYBMUJFWSA-N 411.849 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1C[C@@H](O)C[C@@H](O)C1 1149241828 QEUZRURCYNWUAO-JZXOWHBKSA-N 401.463 1.347 30 10 HDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N2CCN(C(=O)CC#N)CC2)CC1 1149999918 GUGDMOHKPNFPIP-UHFFFAOYSA-N 411.506 1.535 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CCN1C1CC1 1151624640 BBXOINASZCGGSX-GOSISDBHSA-N 417.941 1.896 30 10 HDEE CCC1(CC)NC(=O)N(CC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1152023591 LTVOWZHBMKNTRA-UHFFFAOYSA-N 401.442 1.457 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)CC1 1152068280 KINIEQUVMOHWNY-UHFFFAOYSA-N 423.498 1.998 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(CC(=O)NCCC)cs2)c1 1152447276 DTUALCGECXSKAH-UHFFFAOYSA-N 420.516 1.376 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccc3c(c2)OCCCO3)cc1 1155670028 DSCBGLSWVHPTDR-UHFFFAOYSA-N 414.483 1.732 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(C)[nH]3)CCOCC2)c1 1157180809 CRCKLNDZKXBGRD-UHFFFAOYSA-N 402.476 1.065 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)C1=O 1164494445 QZVKJBGHZMCWEH-UHFFFAOYSA-N 410.411 1.416 30 10 HDEE COC(=O)c1sccc1NC(=O)CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 1165615733 SRNSQCYLRSAUOB-IBGZPJMESA-N 412.427 1.812 30 10 HDEE CCOc1ccc([C@@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1176709136 GAVJNMYXHHEASD-HFSMHLIXSA-N 417.531 1.619 30 10 HDEE C=C[C@H](C(=O)OC)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1195135139 FFHROGZGYNUXJR-BRWVUGGUSA-N 422.526 1.582 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc4c3OCCCO4)CC2)nc1 1208480704 BBPIZCIZWVCVKU-UHFFFAOYSA-N 400.460 1.625 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1212393038 ZJYWCLHIAJRJHB-RTBURBONSA-N 408.520 1.729 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1233854190 VOWOVMTUCFFLKN-WBVHZDCISA-N 414.510 1.974 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1252458799 MNFKKGKURSCFSQ-CABCVRRESA-N 414.325 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1286299879 ZOTJMQCFKABBKO-HIFRSBDPSA-N 405.549 1.803 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1286375304 VUZTXUZFNYIBHY-IERDGZPVSA-N 419.526 1.613 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1286377432 WLKCAICUMZMSBS-SFHVURJKSA-N 401.536 1.360 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nnc(C)s2)CC1 1286474889 SYUGYLLJVRNBGJ-UHFFFAOYSA-N 409.519 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2cccs2)CC1 1286485722 VTXVBIUNHYAWFG-OXQOHEQNSA-N 401.536 1.854 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1286592145 MPWCEZLVHGRKRE-UHFFFAOYSA-N 412.542 1.692 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(C)cccc2C1 1286791150 UVDTVVFVMJJUFC-UHFFFAOYSA-N 408.506 1.574 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1286807634 QLVOIUQFRITNEA-FQEVSTJZSA-N 424.549 1.971 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1286829484 DLKWVUZXBBTHEK-MRXNPFEDSA-N 418.567 1.643 30 10 HDEE CC(C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287228175 ZGGBHXFXQQEXNQ-HTXNQAPBSA-N 414.510 1.935 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1288629679 XKUCYPWAHCYEHV-MRXNPFEDSA-N 420.525 1.222 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CCCO1 1288798839 CNDYOMHLUBISIE-KBXCAEBGSA-N 410.544 1.587 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1291190091 OLYLYFHHZJTXKT-FHLIZLRMSA-N 410.478 1.024 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1293701614 CTBZYPLWSCQVNJ-KEGWNNHHSA-N 410.526 1.988 30 10 HDEE CCn1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)cn1 1295919556 GEDQYYXVXLCPJK-KSSFIOAISA-N 420.543 1.283 30 10 HDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1297572892 NOSIMERTUVUMIO-QGZVFWFLSA-N 409.494 1.464 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 1298755663 FACVWTLBIYWQSF-UHFFFAOYSA-N 413.455 1.378 30 10 HDEE CN1C[C@@](C)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1298877144 LBKGDQHEOCOWRO-UWJYYQICSA-N 410.478 1.107 30 10 HDEE C#CC[C@@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1299179420 YCPFOGMNNIILIL-UONOGXRCSA-N 405.455 1.145 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1299237198 SIUUFCVNUXZMSD-GOSISDBHSA-N 412.494 1.585 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1300408648 MOLLQBJVLQVFLV-GOSISDBHSA-N 406.490 1.804 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCC[C@@H](O)C1 1300512453 QARQRCDQEWGBAG-JQVVWYNYSA-N 400.523 1.943 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCSC1 1300655017 NGTZHNWXRGUUJR-SFHVURJKSA-N 407.927 1.948 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2OCCC2(C)C)CC1 1300681995 GGDITOWDLYYTKK-GOSISDBHSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)COC)CC1 1300685691 SCNKAUNACCYQPK-NRFANRHFSA-N 405.543 1.358 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCSCCCO)CC1 1300698563 VDTWBGFXYHDEDU-UHFFFAOYSA-N 400.552 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCOC2)CC1 1300727469 YJBAFLWLPOVODA-AEFFLSMTSA-N 401.511 1.174 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(C)C(=O)C1)C(C)C 1301367899 VMPSFJVFGVBPGV-MOPGFXCFSA-N 416.570 1.759 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(C)(=O)=O)C1 1301546957 WMBGNFDGKCXRNO-AWEZNQCLSA-N 411.915 1.819 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1302060862 PCRVVDNWVNZSHU-SRVKXCTJSA-N 405.879 1.205 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1302067093 BQVWQILJGLREQM-UHFFFAOYSA-N 419.436 1.492 30 10 HDEE Cc1ccc(C(=O)NC[C@](C)(O)c2cccc(F)c2)cc1S(=O)(=O)NCC#N 1303813275 CKTGQEUDOKZOIQ-IBGZPJMESA-N 405.451 1.574 30 10 HDEE N#C[C@]12CN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1308128622 TVJUTOVDIGIOCT-HZUKXOBISA-N 405.303 1.603 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)CC2(C#N)CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1308129305 AHRXVEGEFWPLCR-OAGGEKHMSA-N 413.540 1.150 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 1312158530 COVFXBCBYXJPCU-OAHLLOKOSA-N 416.478 1.771 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2cc(=O)n3ccccc3n2)C1 1312467647 AIUDIHALMUMODG-DZGCQCFKSA-N 412.450 1.253 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(C2CC2)CC1 1314871093 COKWZGWYLSFBMI-UHFFFAOYSA-N 414.535 1.992 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1358929788 IDJVWHHXTWTKBR-MIALQEHNSA-N 422.551 1.366 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1358969091 GSEPUKHCFDCIOW-AWEZNQCLSA-N 418.548 1.126 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSc1ccccc1 1358969125 HMZMCVWVCFQHJD-INIZCTEOSA-N 417.560 1.753 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359122133 ZRXIWNURZVWJMO-MGPUTAFESA-N 420.510 1.993 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359122863 CXYKRHBXSZKVCG-GOSISDBHSA-N 416.551 1.844 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359207822 YJISMCYCNFBPQA-UHFFFAOYSA-N 415.542 1.818 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359291655 ZEDXOIONLMOOPI-ZBFHGGJFSA-N 406.531 1.360 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2)C1 1359314131 WMNLVIRJZNMJRZ-NVXWUHKLSA-N 405.524 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1359330454 RZUQYEPKAWHBGD-HZPDHXFCSA-N 423.539 1.125 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1C(C)(C)C 1359335397 KQFDFIINHPUPAH-MRXNPFEDSA-N 413.588 1.333 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](C)C1 1359336257 JRNDKIPYPSKGQU-YVSFHVDLSA-N 412.556 1.695 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1360486542 QQCDHVNSBRDFLV-CZUORRHYSA-N 409.494 1.432 30 10 HDEE CN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCN(S(C)(=O)=O)C1 1436430290 IFMZDDZJPLAAKL-CQSZACIVSA-N 400.298 1.356 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(F)(F)F)OC[C@@H]2C)s1 1449261882 GFGIYUZYVCVDPE-CMPLNLGQSA-N 412.455 1.933 30 10 HDEE C=CCN(C(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1)[C@@H]1CCS(=O)(=O)C1 1456085076 KMFWNQUPIPUOPZ-DLBZAZTESA-N 400.504 1.709 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1 1464804735 JBGLXRLQHNYDRI-UHFFFAOYSA-N 403.464 1.476 30 10 HDEE COC(=O)Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 1466884579 BITYOPQBNXOZNV-ZDUSSCGKSA-N 412.425 1.945 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1 1468236938 XFTPEJNJMFSHCZ-DOTOQJQBSA-N 413.499 1.572 30 10 HDEE N#C[C@]12CN(C(=O)NCCSCc3ccnc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1469742467 DZSGRTOGRADARI-XJKSGUPXSA-N 414.940 1.548 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471089638 LNWNZUALSFSEEF-WBMJQRKESA-N 412.439 1.211 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1471983905 KYEHINPAJFNEGM-HNNXBMFYSA-N 415.475 1.747 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@H]1C(=O)OC 1473879222 KKDNTJFJKCQRRL-HUUCEWRRSA-N 419.503 1.721 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)nn1 1476152197 KRLXNWFRVKZPDN-MRXNPFEDSA-N 405.480 1.739 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1478654992 LRNPNVJCORNPKK-SJORKVTESA-N 400.545 1.166 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)c1 1478944753 HWCVZYUZMVQPSP-UHFFFAOYSA-N 416.478 1.932 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)N3CCC[C@](C)(C#N)C3)nn2)C1 1479249008 MVXXDDUKJBONPD-LJQANCHMSA-N 403.487 1.905 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1503864120 SPZMNZVDRYTTHY-DYESRHJHSA-N 411.462 1.622 30 10 HDEE COCCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1504788398 GJXGDFKQVYRSDX-SFHVURJKSA-N 409.494 1.847 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1505046658 IPBHQOXHHNGGRG-UHFFFAOYSA-N 408.466 1.400 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507612488 FQSKAUNKRRVCJF-FXAWDEMLSA-N 422.533 1.568 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCN(C(C)=O)CC1 1507617630 XLAXSHAVBYCRQH-FQEVSTJZSA-N 424.505 1.024 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507755608 VNTVGQGDJKLOGK-GFCCVEGCSA-N 417.457 1.489 30 10 HDEE C=C(C)Cn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507835318 VCSIJQMMETVIFJ-WFXMLNOXSA-N 405.543 1.663 30 10 HDEE C[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1509998837 CFXHLTUPCMQOGI-KRWDZBQOSA-N 415.542 1.365 30 10 HDEE CCC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1514097981 HGMWOCWIRCNWJP-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1519073250 PYVLDUVLXXOPNI-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE N#CC1(CC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1522391511 SLPLAAMHBFIFNL-UHFFFAOYSA-N 411.455 1.496 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 1531180756 FLJRCBLYAUQTCN-MRXNPFEDSA-N 414.458 1.823 30 10 HDEE Cc1cc(C#N)cnc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537806333 KPFSKNSEFXMDCU-OAHLLOKOSA-N 422.507 1.416 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(C(=O)N4CCCCC4)c3)C[C@H]1CS(=O)(=O)C2 1539119132 SZRSPHWXNGWYQL-FXAWDEMLSA-N 401.488 1.323 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCC[C@H]1C 1539172056 SOAQQVZIQHYEGL-IVZQSRNASA-N 406.490 1.813 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1539286479 DBZCQQDCEPGVEK-KUHUBIRLSA-N 407.471 1.518 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1539340544 OYTZPWRKOPXZLJ-UHFFFAOYSA-N 412.494 1.828 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1539343487 KXLHGVZICJBPFW-CYBMUJFWSA-N 409.487 1.544 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC2(OCCOC)CCOCC2)CC1 1539429520 ACNCIRHMSUHOBP-IBGZPJMESA-N 419.570 1.759 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539525814 CZQBDFCVYFLEAT-CVEARBPZSA-N 416.507 1.620 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1539541562 JAEMMHRJFQKUML-KNXBSLHKSA-N 415.538 1.837 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1540089020 XFXKTNJEEXXSKJ-GOSISDBHSA-N 410.471 1.168 30 10 HDEE O=C(CN1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1)NCc1ccccc1 1540558477 OPCHLAQLGJUNEU-FLIBITNWSA-N 409.461 1.869 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1540871774 TYFHERSTXJJTBA-INIZCTEOSA-N 414.466 1.671 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540873187 QHMJTBDMNAWDCV-CQSZACIVSA-N 410.400 1.334 30 10 HDEE N#Cc1cc(Cl)ncc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1543491103 RZTRMPASDFISQR-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)c3ccnn3CCN(C)C)c(C#N)c2N)cc1 1545163362 DDHYWRONZXUWHK-UHFFFAOYSA-N 420.521 1.755 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1545929276 VRMJDDVGCHJRGQ-IRXDYDNUSA-N 420.514 1.121 30 10 HDEE COc1ccc2c(c1)CN(c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O)CC2 1554985584 FAQSHZCKOWKCEX-VXPUYCOJSA-N 408.462 1.684 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CC#N 1555686379 AVDPBKNHACODHR-OAHLLOKOSA-N 410.482 1.885 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCSCCC(F)(F)F 1557963364 DFGAHFBLLRUOBN-UHFFFAOYSA-N 409.455 1.917 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cc1B1OC(C)(C)C(C)(C)O1 1558061040 ZEUCVTNPCAOKEO-MSOLQXFVSA-N 414.311 1.414 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC12COC2 1558226353 MNQNSVQXYDTXKQ-HUUCEWRRSA-N 409.483 1.612 30 10 HDEE Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)C3(C#N)CCOCC3)cc2)s1 1558423999 CRGZYXGREHLJHU-UHFFFAOYSA-N 407.477 1.906 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)c1 1558669028 BZXTYUDZNQCIMO-BGYRXZFFSA-N 408.520 1.138 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(Cl)nc3cc(Cl)ccn23)CC1 1560983222 SIWDPWZLKKLBCF-UHFFFAOYSA-N 402.307 1.226 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(C(=O)OCC)CCCOC2)c1 1561795433 GMZBDGUUYGVIRN-LJQANCHMSA-N 410.492 1.241 30 10 HDEE COc1cc([C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OC(C)C 1563492922 CUPNJANLBFYGCQ-ZDUSSCGKSA-N 415.450 1.677 30 10 HDEE C#CC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O)C(=O)OC 1570218939 NVIAFSAVYKPDTK-VGOFRKELSA-N 407.426 1.288 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)[C@H]1c1cccnc1 1583136737 DAGYQPCNPDMZJU-MOPGFXCFSA-N 403.402 1.071 30 10 HDEE CN(C)CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1584905831 KSUOYPWOUDWWHH-IBGZPJMESA-N 415.519 1.696 30 10 HDEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1585314642 JUBLKXNUTRJVMV-KRWDZBQOSA-N 423.498 1.559 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H](O)c2cc(F)c(F)c(F)c2)cc1 1585628433 WHZPGYGVYCEDGR-HNNXBMFYSA-N 413.377 1.104 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1 1586990723 BINXTMLQBSPGII-INIZCTEOSA-N 412.450 1.772 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)cc1 1587611344 NIRZSGXVLXHUPS-UHFFFAOYSA-N 409.494 1.175 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588055387 VTLCQCFMFGJIEF-ZWKOTPCHSA-N 422.551 1.739 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ncnn2C(C)(C)C)CC1 1588806232 KEHLGIRLBJYHLS-UHFFFAOYSA-N 419.537 1.799 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1594839473 MQBHAXJPUNKUIL-UHFFFAOYSA-N 417.535 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC(C)(C)OC(C)(C)C1 1595799277 XZWXYAIXCTYKQI-OAHLLOKOSA-N 412.556 1.777 30 10 HDEE Cn1nccc1[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1597282011 XXAYXHVZTBIVCK-MRXNPFEDSA-N 401.492 1.603 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C(C)C 1603553237 BUICLLAEZNIOFR-UHFFFAOYSA-N 411.510 1.784 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCC(F)(F)C(F)F 1608405751 PJDRZHFJJNTMQM-HNNXBMFYSA-N 424.374 1.775 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CCO1 1614260025 DBPWFXHDPIPTGY-QGZVFWFLSA-N 412.494 1.822 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@H](C)O1 1619733332 CUGUKQPUZPRMME-QFBILLFUSA-N 422.493 1.739 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1620649365 RYPORSSUDBGNBX-GOSISDBHSA-N 405.520 1.373 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@@H]2CCN(C)C2=O)CC1 1623645285 YHKIGZWOSGVXRY-IAGOWNOFSA-N 406.527 1.104 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2cccc(C#CCO)c2)cc1 1623710471 DQPVIQUGTPHBNR-INIZCTEOSA-N 424.453 1.591 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(N)(=O)=O 1624064686 CHOXRFHFXGUPLU-STQMWFEESA-N 424.951 1.197 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ncnc(O)c2Br)C1 1624819294 IEJVCWNUCNKPED-DTWKUNHWSA-N 412.244 1.434 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1csc(I)n1 1628386129 OHSMDPFLTORHJL-PKNBQFBNSA-N 418.216 1.004 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3cccc(C)c3)C2)c1 1630995327 NROGHVPLIWJMOR-FQEVSTJZSA-N 411.527 1.911 30 10 HDEE CO[C@H](CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCOC1 1632612071 SQKHFJPZPXLLJI-BHYGNILZSA-N 423.535 1.308 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc2c1OC(C)(C)C[C@@H]2O)c1cc[nH]n1 1636472154 QPQVQBOZWCPSNJ-HNNXBMFYSA-N 416.434 1.927 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc1 1639127455 SYPSXFSIJMDKAI-SFHVURJKSA-N 400.460 1.604 30 10 HDEE N#Cc1ccc(NCC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)nc1 1640160475 XOSUZPBNGTYJFS-LBPRGKRZSA-N 401.224 1.202 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1640585522 UISMGGULHPNMNX-CYBMUJFWSA-N 412.416 1.803 30 10 HDEE C[C@H](NC(=O)Cn1cc(C#N)c(=O)c2cc([N+](=O)[O-])ccc21)C(=O)N1CCCCC1 1640906801 WNXNTBWYROUSMG-ZDUSSCGKSA-N 411.418 1.299 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)cc1 1640947932 ZCYKZHRSJVDHOI-IBGZPJMESA-N 410.492 1.382 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(OCC)nn4)CC3)cc2C1=O 1642057136 LREVPAGDBNBHMT-UHFFFAOYSA-N 421.457 1.620 30 10 HDEE C=C(C)C[C@H](NC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)C(=O)OC 1642698271 OOXVBMAHJSBPAT-LBPRGKRZSA-N 400.378 1.650 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1643124782 XNWPKTGUXGNZMV-LJAQVGFWSA-N 416.499 1.062 30 10 HDEE Cc1ccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1643772375 JZQSWALMLNJHSU-FUHWJXTLSA-N 421.519 1.237 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)CC2=O)cn1 1643829758 CSTUKFVRTAOQJV-AWEZNQCLSA-N 402.304 1.858 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 1643896581 LQINIPVFYTVUSS-XHDPSFHLSA-N 405.398 1.405 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCCn3cnc4c(N)ncnc43)CC2)c1 1644168439 VKYZPUAHSJERTH-UHFFFAOYSA-N 418.505 1.841 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC3(CCCC3)OC[C@H]2CN(C)C)CC1 1647787804 NYFOKSXBICLFDO-UXHICEINSA-N 405.587 1.254 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C(=O)OC(C)(C)C 1649128113 GCJYAGPLRXXUAW-CABCVRRESA-N 411.499 1.343 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](n2nncc2I)C1 1650911626 YHGQFBHYNVRZKV-NSHDSACASA-N 410.219 1.868 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1650972438 QERFJZJCMODQHS-XJKSGUPXSA-N 416.927 1.316 30 10 HDEE C#CC(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1653279749 URSIIPYBPMRHDZ-UHFFFAOYSA-N 403.548 1.352 30 10 HDEE C#CC1(O)CN(C(=O)[C@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 1653285041 ZWHNCGODQQKZCD-ZDUSSCGKSA-N 409.255 1.647 30 10 HDEE C#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C(C)C 1654869630 RVABTQHZZIFPJA-UHFFFAOYSA-N 407.536 1.614 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(F)c([N+](=O)[O-])cc3CO)CC2)cc1 1654948472 JHHCNEIYRZMARY-UHFFFAOYSA-N 420.422 1.609 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OCC 1655358517 GYTRQIFVFALTSX-CQSZACIVSA-N 400.522 1.829 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)ccc2C(=O)OC)cn1 1655958039 BMGNNLNDFYZTDI-UHFFFAOYSA-N 412.265 1.544 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1 1655960799 NFPHPVJCMQJVLO-MRXNPFEDSA-N 407.536 1.476 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 1671634482 DVSMQOSWYFEQDD-UHFFFAOYSA-N 420.528 1.179 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1672020161 OCXPNNDWMKBSRN-SJLPKXTDSA-N 405.524 1.108 30 10 HDEE CC(C)[C@@H](NC(=O)Nc1cc(CC#N)ccn1)C(=O)N(C)Cc1nnc2n1CCC2 1673998687 CGMGVCFNLFLMSJ-GOSISDBHSA-N 410.482 1.490 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2ccc(OC)cc2)no1)[C@@H]1CCS(=O)(=O)C1 1674282181 NVGPYMWIXBJERD-OAHLLOKOSA-N 403.460 1.682 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 1676031151 SYEKJRFEFTWKNW-ROUUACIJSA-N 422.526 1.376 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 1687205748 GCTBSJKBHNIPGR-PKOBYXMFSA-N 401.507 1.908 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3nc(C4CCOCC4)n[nH]3)C2)nc1 1687278932 TZQAHNJCIRKWRE-MRXNPFEDSA-N 410.482 1.751 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1689852737 JYHYMKLNHNHRSR-GDBMZVCRSA-N 409.556 1.505 30 10 HDEE C#CCCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1689881027 CTRKVVVPPAMKJU-UHFFFAOYSA-N 410.931 1.782 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1689913450 OJJRZSXBRCCJOO-HZPDHXFCSA-N 409.556 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCS(=O)(=O)C1 1690009084 VUKUXDLTMLCZAQ-CQSZACIVSA-N 403.895 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(N(C)C)cc1 1690092266 BTSIEQQTRDQUHH-UHFFFAOYSA-N 424.549 1.909 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(OC)CCC(C)CC1 1690102967 YYKBXQFVALIRFX-BQIYRTECSA-N 403.527 1.911 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cc(C)nn2C)CC1 1690133350 CXCYLOWIGJNXJE-UHFFFAOYSA-N 423.496 1.842 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccco1 1690189338 XVEYKOAPLKWXLS-OAQYLSRUSA-N 410.478 1.529 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1690245899 OFZUCMCGFQTQOO-PASDCYSWSA-N 423.514 1.603 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1690326668 BOXOSEZLJZWJID-UHFFFAOYSA-N 406.840 1.951 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1690493832 UCVQPMQCTKQRDE-GOSISDBHSA-N 404.559 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCOC1 1690725083 FDMNXPAKJQKGMF-KRWDZBQOSA-N 405.524 1.337 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)[C@H](C)C1 1690840068 DLJWDSQWMZNKLW-IVZQSRNASA-N 421.505 1.352 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1693178378 MSLGWMSEEDBPFO-MEUCICPISA-N 420.477 1.913 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1694608627 ATUPBUUTNBDFHR-UHFFFAOYSA-N 421.509 1.533 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1697007559 QTFUYETZGHTPKB-SFHVURJKSA-N 423.521 1.539 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1nccc(C(F)F)n1 1705587889 NBPRIHXMPVVWHT-UHFFFAOYSA-N 413.432 1.753 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705819080 CPMNUPVZZUSPFT-IRXDYDNUSA-N 409.556 1.499 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccs1 1705884447 OXUJNBXJLHPMCO-AUUYWEPGSA-N 405.524 1.837 30 10 HDEE C=CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)C1 1705913108 DMWQLSKDALNYQS-UHFFFAOYSA-N 424.505 1.292 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(CC)CCS(C)(=O)=O)nnc1C(C)(C)C 1705938919 MZLXAAVYBXOIFL-UHFFFAOYSA-N 406.574 1.047 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705944076 UPFDQZBHRQQBQN-IRXDYDNUSA-N 420.583 1.449 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1706655705 GJHQBQHUJZIQNV-PBHICJAKSA-N 420.514 1.939 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(F)c1 1706870616 FUEJNNDNBUWHNT-ACJLOTCBSA-N 424.477 1.712 30 10 HDEE CCN(CC)C(=O)CCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1709995830 DFQWATNSEVGPGJ-SFHVURJKSA-N 411.510 1.641 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1710897499 CYSWPHXBTVUCTP-GJZGRUSLSA-N 402.524 1.991 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1710980500 GVUVQWIJSCCMNE-OAQYLSRUSA-N 410.478 1.291 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722371269 IHUGSHDXLSWOPL-XOKHGSTOSA-N 402.524 1.347 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1722381742 BADVMOUYXUHQME-SFHVURJKSA-N 417.579 1.518 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1722382180 FRZKGGIEMUJNCD-INIZCTEOSA-N 415.519 1.550 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(CCC)CC2)CC1 1722436540 AWNNOMUTIUQBPD-FQEVSTJZSA-N 400.571 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN(C)CC(F)(F)F)CC1 1722444167 VDFGRFKSRWQBAO-UHFFFAOYSA-N 400.449 1.437 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722482333 AJIMLOCJHOPWED-LBPRGKRZSA-N 418.361 1.830 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCOC1 1722502878 KBXAHANRKRBWRR-UWVAXJGDSA-N 403.527 1.854 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1722537986 SDTBXCVICVGZKQ-VQIMIIECSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722701972 BUAFDPSRTJIVOW-GOSISDBHSA-N 412.494 1.464 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(F)F)C1 1722727552 JHZKIZJTPDJFBY-UONOGXRCSA-N 404.483 1.864 30 10 HDEE C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1723959730 AUCXDZYMEJVQAF-KUHUBIRLSA-N 416.507 1.212 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)O 1728903541 HTUODKWYWGJCIF-HNNXBMFYSA-N 401.467 1.755 30 10 HDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1730345645 DAVMLHZPECBMTH-GOSISDBHSA-N 401.430 1.997 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCOCCCO)CCN1C1CC1 1731190539 QXDSPZFHHCAOCV-QZTJIDSGSA-N 404.515 1.095 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1c(C)ncnc1O 1740319573 QYDMEDGBOVZMDD-MWIANEHASA-N 400.479 1.262 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1740554187 XCZDERZEFSYOKA-RDJZCZTQSA-N 406.552 1.845 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740588716 DLHGTSFQNMOCEW-GOSISDBHSA-N 406.490 1.605 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1740611211 WXLFPEYMLQFVAY-SFHVURJKSA-N 407.430 1.883 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1740628849 VLIWNHUQJQLZDJ-DLBZAZTESA-N 422.551 1.258 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1740674378 DSRDTOCFBDFNMH-GOSISDBHSA-N 408.506 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)cc1 1740678820 SQWZDBRJADMAGJ-UHFFFAOYSA-N 411.506 1.851 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1C 1740686223 PSCYUZAHXQHPOB-UHFFFAOYSA-N 401.421 1.410 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCCCC2)CC1 1740698529 HWGPCTGGLNRGQZ-UHFFFAOYSA-N 414.554 1.241 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(O)cc2)CC1 1740704640 QJYFGXHKYDABOX-UHFFFAOYSA-N 404.474 1.993 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCSCC2)CC1 1740708080 AZKYUCMDEPINRY-UHFFFAOYSA-N 416.595 1.245 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1740783479 JEPIZIYCQLFVOV-IRXDYDNUSA-N 418.542 1.344 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCN(C)C1 1740893358 HLNYVTIHIDRFBN-LJQANCHMSA-N 405.524 1.037 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F)C1CC1 1740906896 SMXKUDKNMINAOY-LLVKDONJSA-N 415.470 1.683 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740958226 LIOKWWJOJNQEQJ-UHFFFAOYSA-N 415.542 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)C)CC1 1740965349 HVENOLNEDFBGDZ-LPHOPBHVSA-N 420.558 1.271 30 10 HDEE Cc1ccc(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c(=O)n1C 1742223057 NOTYCCQLKAPJGW-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2CCO[C@H]2CC)CC1 1748031836 GXIPJDCXIOVLLA-MIDILNBFSA-N 400.519 1.678 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1748818743 FKLQZTFKTQNFGW-SFHVURJKSA-N 411.487 1.532 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749363331 AVIUUEQXIRHFIL-ROUUACIJSA-N 416.570 1.990 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@H]1C 1749368352 GWHYVIHJGASMRQ-HUUCEWRRSA-N 409.556 1.449 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1749502192 RTPUPWYGGRNKSY-OAQYLSRUSA-N 401.511 1.945 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1749521271 JDVJODAZNVLHDN-GOSISDBHSA-N 416.551 1.843 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NC 1749594353 KOQVYANNKODZFW-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(C(=O)NC)C1 1749666659 PFVJPZUTMUTWLG-JOCHJYFZSA-N 421.505 1.691 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749671201 ZQGDBDVYWADDRN-MSOLQXFVSA-N 413.526 1.739 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 1749729991 WIHHNXFLXXGDEP-INIZCTEOSA-N 405.524 1.946 30 10 HDEE COCCOCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750098095 XBPPIZRJOJSIAL-PKOBYXMFSA-N 418.542 1.402 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCOC1 1760167985 JUDIQMFNTBYKSW-OAQYLSRUSA-N 400.479 1.962 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760193374 YEDPRCBRUDQUJN-QBPKDAKJSA-N 410.515 1.895 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1 1760208696 YARKEWCUULNDMI-WFXMLNOXSA-N 417.579 1.512 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1760241336 WRKGZMRURYHXEB-DYESRHJHSA-N 413.453 1.160 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CC(=O)N1CCOCC1 1760243361 HDBMSIHVKZBYSY-UHFFFAOYSA-N 411.481 1.868 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@](C)(CC)O1 1760251298 WDVXJPYCKJYCOH-UTKZUKDTSA-N 403.527 1.834 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760356966 ALWJBAPTYAVMMX-RBUKOAKNSA-N 416.526 1.867 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1760459866 INFPKNAOQPURNY-UHFFFAOYSA-N 421.523 1.666 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1760527913 MCPRPESPTPHTQE-LJQANCHMSA-N 402.405 1.740 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)C1 1760546096 IRUIBQGAYAAMIN-QZTJIDSGSA-N 410.522 1.960 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760680910 RRMYKHAQICHOPO-ROUUACIJSA-N 401.515 1.222 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CCO1 1767712156 FWDYYFUXXIDSAB-ROUUACIJSA-N 408.462 1.461 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)CC1 1770753125 CFFOARDUKYRKOU-KRWDZBQOSA-N 416.526 1.932 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1771491502 BHIFHYIZJSLEDF-RBSFLKMASA-N 416.507 1.423 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4ccc(S(C)(=O)=O)cc4)CC3)cnc21 1851224930 BEFHBWFTTXVIMF-UHFFFAOYSA-N 423.498 1.811 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1)c1ccccc1 1851857095 ZUNCXXLEGXPDAJ-MRXNPFEDSA-N 415.563 1.837 30 10 HDEE COC(=O)[C@@H]1CCC[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)C1 1852674966 XVTABOGSOWLTPY-SJORKVTESA-N 400.479 1.598 30 10 HDEE CC1(C)NC(=O)C[C@@H]1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852770578 NKPUALDHLXESBU-ZWKOTPCHSA-N 401.463 1.096 30 10 HDEE N#CCCN1CCN(C(=O)CCONC(=N)c2ccccc2Br)CC1 1853450366 JPBHNBQWSGIORC-UHFFFAOYSA-N 408.300 1.744 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@@H]([C@@H](C)NCc3nc(-c4cnn(C)c4)no3)C2)CC1 1853573413 UPQJXXROJYNEDU-HUUCEWRRSA-N 420.539 1.709 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2=O)cc1 1854037700 LLLIKOJRUMMHBM-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)Cc2ccccc2)C1=O 1854319034 MZQDYFBGPTYPFM-IBGZPJMESA-N 404.474 1.229 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)cc1 1854633330 OXTIVLXNSXWPSM-VQTJNVASSA-N 406.490 1.622 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3ccncc3)C2=O)CC1 1854744638 WZVKYYSKQVJOAD-LJQANCHMSA-N 404.474 1.692 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1 1855393763 ZXWVGXCURPHORS-IBGZPJMESA-N 407.449 1.585 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3[C@H]4CC[C@H]3CC(F)(F)C4)ccc21 1856375241 AKJQUZHPAWQUOF-STQMWFEESA-N 409.414 1.967 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cccnc2OCC)C1=O 1856748090 FCAOXBXZGCHVRF-IRXDYDNUSA-N 400.479 1.330 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(CCOC)Cc3cccn3C)C2=O)CC1=O 1856756850 KRVYZVBTQKQQGH-HKUYNNGSSA-N 416.522 1.026 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCN(c3ncc(F)cn3)C(=O)C2)CC1=O 1856784634 MUZVEFOKZOSLQB-LSDHHAIUSA-N 403.458 1.242 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)CC1=O 1856816943 VCVWBSFBVURCLF-RHSMWYFYSA-N 407.467 1.276 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCOC3)C2)CC1 1857382198 ZSLPQNFSUQVDHR-MJGOQNOKSA-N 411.506 1.267 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)n3ccccc23)cc1 1858245488 ZOYITVMSNREOAV-HNNXBMFYSA-N 423.454 1.375 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2)C1 1858325687 NBIOVVSQDKDEQU-KRWDZBQOSA-N 423.491 1.580 30 10 HDEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCN2CCOCC2)C1=O 1863549245 HQUDWAANFLNQGB-UHFFFAOYSA-N 412.490 1.223 30 10 HDEE Cc1ccccc1Cn1nnc(C#N)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870106773 FIJAUJBYTXEPRX-UHFFFAOYSA-N 400.398 1.741 30 10 HDEE C=CCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689058 QAAGCVYXKZAGAK-ZIAGYGMSSA-N 400.483 1.688 30 10 HDEE C=CCn1c(C(=O)NCCc2ccc(C)cc2)cc2c(N(CCO)CCO)ncnc21 1873594640 YJGMQQRHBAEALT-UHFFFAOYSA-N 423.517 1.689 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)CC1 1889367923 VUQOBJFODBVLNE-UHFFFAOYSA-N 412.509 1.959 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(n3ccnn3)C2)[C@H]1c1ccc(C#N)cc1 1892102021 PWKZDWLFYUGPHD-MOPGFXCFSA-N 410.503 1.627 30 10 HDEE CCN=C(NCCNC(=O)OC(C)(C)C)NCCN1C(=O)c2ccccc2C1=O 1923844620 YNNCHBHEDRJMOX-UHFFFAOYSA-N 403.483 1.362 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC(CCNC(=O)OC(C)(C)C)(OC)C1 1982283740 RCFAFOKJMWLSME-UHFFFAOYSA-N 413.334 1.840 30 10 HDEE C=CCN(CCC(=O)O)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046032149 IAKNWUOVVRJMOK-SFHVURJKSA-N 412.439 1.303 30 10 HDEE C#CCCN1CCC(COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2086864755 HAFMMEHNJGDSIE-IBGZPJMESA-N 423.469 1.202 30 10 HDEE CC1(C)OB(c2cccc(Cn3c(O)nnc(Br)c3=O)c2)OC1(C)C 2118563645 AHRVMNMEAZZETG-UHFFFAOYSA-N 408.061 1.454 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)[C@H](C)CN1C(=O)OC(C)(C)C 2174780747 XTGUGZFSJPHJTH-LSDHHAIUSA-N 401.529 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C1 2197778289 PWNNDHMNDZMRBX-LLVKDONJSA-N 413.418 1.325 30 10 HDEE C[C@](O)(C(=O)C1=CCS(=O)(=O)CC1)c1ccc(I)cc1 2232557821 XXHMBGXPBKSDIC-CQSZACIVSA-N 406.241 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2243423078 RPCBLNWUAQPPQS-UHFFFAOYSA-N 404.276 1.125 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CO1 2243429327 AUXZKTPOCUEGPL-LSDHHAIUSA-N 408.304 1.667 30 10 HDEE C[C@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247814008 NECJNRVMARBWSA-JSGCOSHPSA-N 420.319 1.837 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCNC(=O)OC(C)(C)C 2247910999 RIYPDLSJNKGRTI-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE Cn1nc(CNC(=O)OC(C)(C)C)cc1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248402890 BWMLEIVDZKQFJA-UHFFFAOYSA-N 418.303 1.809 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2255606784 XRFGGWNQRCTCAN-ROUUACIJSA-N 422.338 1.913 30 10 HDEE CC1(C)OB(c2cnccc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2255685157 WHWQYOIHUWXRCT-UHFFFAOYSA-N 423.322 1.358 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)[C@H](O)C(F)(F)F 2265291967 CURSQJWQVUCFQU-PRJMDXOYSA-N 404.407 1.081 30 10 HDEE N#CCc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270540859 UKFAVFFBZNYMRX-QGZVFWFLSA-N 417.443 1.874 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@H]3CCO)c2Cl)OC1(C)C 2281940594 RCWDJWZUHKJOFX-LLVKDONJSA-N 401.721 1.924 30 10 HDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CCC2(CC1)OCCO2 2281973913 VOTBPQBGGTWHRQ-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329074 HOKVGFUAMMADMC-TZMCWYRMSA-N 400.375 1.760 30 10 HDEE CN(C)CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282334062 WTNNFILKAJFVGG-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC(C)[C@H](CN(C)C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335206 MHJCUSZPNNINIT-AWEZNQCLSA-N 402.391 1.912 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@@H](CN)C2)OC1(C)C 2282491266 KINJZYULTQAVGH-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC1(C)[C@@H](O)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491501 LQIGNDPYJOUBBT-AWEZNQCLSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(CO)CC3)ccc2Cl)OC1(C)C 2282500558 YZHSRQHDXIZKNB-UHFFFAOYSA-N 401.721 1.690 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]2(C)CCCOC2)OC1(C)C 2282501994 FDJWQLHGTIZCLW-MRXNPFEDSA-N 402.347 1.431 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2C[C@@H](CO)C2)OC1(C)C 2282828431 OFWZOBHOUOGYMP-TXEJJXNPSA-N 401.721 1.688 30 10 HDEE CN(C1CCOCC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282829925 MPBKVTCTJZVZTB-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839232 AUDARFFYXKWIDO-OLZOCXBDSA-N 400.375 1.856 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CN(C(=O)OCc2ccccc2)C1 2321852214 ZOXPBZOGHRDIKX-INIZCTEOSA-N 408.476 1.137 30 10 HDEE C#CCN([C@@H]1CCOC1)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338817665 RJXXAFDYQGDAJF-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE C#CCOCCCCCNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2344206027 IXYUDFZCTMQGLY-HXUWFJFHSA-N 424.494 1.750 30 10 HDEE CC(C)(C#C[C@H](N)[C@H](O)c1cccc(I)c1)S(C)(=O)=O 2365210993 MBZGYXFDQJGKPA-QWHCGFSZSA-N 407.273 1.479 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367800097 GQMSCWRUVMSRLW-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)[C@H]1CCN1C(=O)OC(C)(C)C 2367809116 KAVKGSOMJWJJSL-RKVPGOIHSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2367817405 SJGJMQACBBFDGG-ZJIFWQFVSA-N 400.541 1.209 30 10 HDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccco1 20292056 ZORJCOYFMYSQLK-UFWORHAWSA-N 416.423 1.348 30 10 HDEE COCC[n+]1cc(NC(=O)CSc2nc(C(F)(F)F)cc(C)c2C#N)on1 83246542 ZJMMROFZTAHMFF-UHFFFAOYSA-O 402.378 1.933 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)Cn1cncn1 97496308 CKYHLIYDZJSUGQ-NSHDSACASA-N 408.256 1.895 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 405045718 RXFAIBCWAHSVQL-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCOC3(CCC3)C2)CC1 426614030 XOKSFPXQLFVXTE-KRWDZBQOSA-N 418.519 1.676 30 10 HDEE CC(C)NS(=O)(=O)NCCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 428425326 WDMPFGRMXFRHMZ-UHFFFAOYSA-N 403.464 1.308 30 10 HDEE CCOc1cccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 434440975 FOBCZMACLYWIFV-HNNXBMFYSA-N 401.488 1.983 30 10 HDEE N#CC1CCC(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 440999585 PHBYDAMWQIBFHO-UHFFFAOYSA-N 412.556 1.589 30 10 HDEE CC1(C)CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCS1(=O)=O 464348059 KAEHVRZJSQHSCS-UHFFFAOYSA-N 406.508 1.862 30 10 HDEE N#CCN1CCC(CNC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 464800932 HSNHMDSJXLPXSD-MRXNPFEDSA-N 410.565 1.643 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1)n1cnc(C#N)n1 466378282 ZWXGGRMUFDZOMK-IINYFYTJSA-N 403.240 1.173 30 10 HDEE CS(=O)(=O)c1ccc(-n2nnnc2C[S@](=O)Cc2ccc(C#N)c(F)c2)cc1 478355076 AICYOUNVGVFVOC-HHHXNRCGSA-N 419.463 1.525 30 10 HDEE COc1cccc2c1CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 489560117 QTOYBRBXUJCEOH-UHFFFAOYSA-N 409.490 1.613 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N 489640315 JHOBDOYAXJEWPE-MRXNPFEDSA-N 412.537 1.277 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(Cc2ccccc2C(=O)OC)CC1 490040752 LNPLLNHZLGOUOE-UHFFFAOYSA-N 423.535 1.835 30 10 HDEE N#Cc1ccc(OC2CCN(CCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 507873477 NRHCBNZXJOWPPB-UHFFFAOYSA-N 420.517 1.930 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC[C@@H]2CS(N)(=O)=O)sc2c1CCCCC2 510660857 UAFKITJRUJZULO-CYBMUJFWSA-N 410.565 1.970 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)N1CCN(c2cnccn2)CC1 516196310 VIEQIZFXIYNHDZ-UHFFFAOYSA-N 422.876 1.974 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C 535499655 VICVXZITDUIFFD-SFHVURJKSA-N 403.527 1.417 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCNCc2ccc(C(=O)N3CCOCC3)cc2)c1 549111050 LXVSUBHQRJLCOZ-UHFFFAOYSA-N 413.499 1.594 30 10 HDEE COc1cc2c(cc1OC)CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 557432605 YTKLJWKRNKMONV-FQEVSTJZSA-N 414.550 1.797 30 10 HDEE CN1C[C@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 590443042 JRKNCTMCHAXNPE-MJGOQNOKSA-N 402.520 1.121 30 10 HDEE N#CCN1CCC(NC(=O)c2n[nH]c3ccc(I)cc23)CC1 610292601 QWBUWESLLUZBTN-UHFFFAOYSA-N 409.231 1.885 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](CO)c1nc(-c2ccccc2)no1 613344440 GYFHIKYGNFPKMB-CQSZACIVSA-N 400.416 1.629 30 10 HDEE COc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c(OC)c1 619569759 IZRCJCHVPVRYQF-GOSISDBHSA-N 421.457 1.425 30 10 HDEE CCc1cc(C#CCN)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703978640 SEKQDGKTRFBZIK-UHFFFAOYSA-N 411.483 1.597 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1cccc2ncccc12 732155886 HUFIXCZNRQBQDP-XUTLUUPISA-N 417.429 1.380 30 10 HDEE COc1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OCC(=O)NC(C)C 732651899 JNECUCGCDZKLAD-KRWDZBQOSA-N 400.479 1.411 30 10 HDEE C[C@H]1CCC[C@@H](C)N1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742652756 IIQWMJYRKHBBHZ-OAGGEKHMSA-N 406.552 1.883 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CCO[C@@H]1c1cnn(Cc2ccccc2)c1 753294673 BJVKEYCNVMOEGC-RBUKOAKNSA-N 403.504 1.726 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3nc(C(C)(C)C)no3)nc2)CC1 758084331 OVMWYETXGUFQOX-UHFFFAOYSA-N 407.500 1.144 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 758750176 DXLKHCSMORTAES-ZBFHGGJFSA-N 416.482 1.090 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 761036256 FQNVMGHTRQARFG-UHFFFAOYSA-N 417.466 1.305 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763436842 NLZYFGCQGCZSPH-UHFFFAOYSA-N 424.501 1.652 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCN1C1CC1 766551628 FFDGRXHGPWRDEZ-SWLSCSKDSA-N 405.861 1.966 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 774208964 FDGNKOURUAELAA-HIFRSBDPSA-N 409.895 1.277 30 10 HDEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)Cn2c(O)nc3ccccc3c2=O)C1 774224098 BASLKGQOXIHLEP-UHFFFAOYSA-N 400.391 1.158 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@H]1CCCO1 775338074 ARCCUGVWHSWCEH-IEBWSBKVSA-N 405.520 1.448 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 776181749 LUZKTWCRPGKHDV-JONQDZQNSA-N 423.514 1.912 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CCC2CS(=O)(=O)C2)C1=O 786681700 DMSJSZQMIVIDRX-INIZCTEOSA-N 423.560 1.806 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(OC)c(OC)c2OC)cc1C#N 787308942 ZBBVMJJHOMWVMA-UHFFFAOYSA-N 413.430 1.525 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 787973317 MXFKNDYZGFYHRZ-LLVKDONJSA-N 405.407 1.789 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)n1 790109220 QYEVUEPWLMBAJG-HNNXBMFYSA-N 416.400 1.655 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CC[S@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790664462 RNYGXLGUZVFURC-NGOKVRLYSA-N 413.584 1.855 30 10 HDEE CCN(CC)C(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798745713 LDQCWQNQQQGLHW-ZIAGYGMSSA-N 412.450 1.763 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802558809 VSXYAKIVLSCERV-YCRPNKLZSA-N 419.526 1.789 30 10 HDEE COc1ccccc1C=NNc1nnc(SCC(=O)NCc2ccccc2)n1N 1084281315 AUGGVMVRIVAIHH-UHFFFAOYSA-N 411.491 1.855 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n[nH]2)cn1 1084536094 SOOGBWSGLRSXLC-UHFFFAOYSA-N 414.451 1.486 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)C1 1118924682 SMEIPNGMQOHKFE-IDTUSYRASA-N 411.476 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCOC2)C1 1123085973 YWXXBZOQWZLUSN-VQIMIIECSA-N 422.493 1.739 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1142688877 MQTZVHWWTCBPPR-SJORKVTESA-N 422.503 1.272 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCN1C1CCCCC1 1147588131 KLZATPPWKZKQJH-CRAIPNDOSA-N 404.536 1.748 30 10 HDEE O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1154231492 IOWSLAXJGYKTDY-UHFFFAOYSA-N 420.494 1.956 30 10 HDEE N#C[C@]1(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CCc2ccccc2C1 1154541767 SDIXYDRTURSAMX-CVDCTZTESA-N 422.460 1.296 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc2cnccc2s1 1154663563 IHOOFAJLAJXLEZ-NSHDSACASA-N 401.473 1.546 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCC(Nc3ccccc3C#N)CC2)c(O)nc1=O 1174985293 ZCUSWIWWZCLKST-UHFFFAOYSA-N 424.505 1.818 30 10 HDEE CC[C@@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179656950 YJDDEVRYMIWRNZ-MMMWYMCRSA-N 413.540 1.713 30 10 HDEE N#Cc1cccc(NC(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1202791998 IJYOGPVGKQVXOK-UHFFFAOYSA-N 400.460 1.901 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1)C1CCOCC1 1213181739 PGKZJNHYCMLBAZ-SFHVURJKSA-N 414.549 1.223 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1227218580 KQTCTGNMPRDQCU-ZCNNSNEGSA-N 400.523 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](N3CCOCC3)CC2)C1 1233850746 DCKFNPMBGRJPHK-OKZBNKHCSA-N 421.542 1.642 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)C1 1248676573 OSDVNOGHCNEUCV-DLBZAZTESA-N 404.515 1.092 30 10 HDEE Cn1cc(C(=O)NCc2ccc(C#N)cn2)c(CN2C(=O)c3ccccc3C2=O)n1 1274853594 IPDGYUMHLKPLGN-UHFFFAOYSA-N 400.398 1.413 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1275604270 CDVHTJVSPKXNAB-UHFFFAOYSA-N 417.512 1.772 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCCC2=O)CC1 1286335547 KXGMYHMVIHQFEF-UHFFFAOYSA-N 412.538 1.909 30 10 HDEE C#CCN(c1nnc(CC)n1CC[S@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286391024 BIGNZSDJFPHSCC-SXBQZSJRSA-N 400.570 1.014 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2c(C)noc2C)CC1 1286480448 XBRCYBYGHWLMKX-RHSMWYFYSA-N 411.510 1.393 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286532637 IBGTUBRILPKJJN-CQSZACIVSA-N 421.299 1.590 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(C(=O)NCCOC)CC1 1286558860 RIDWSFSKDGGAEB-MJGOQNOKSA-N 405.543 1.801 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1286705013 MWWDHWGYFOZSCU-UHFFFAOYSA-N 418.542 1.459 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCOC1 1286791516 UWIDMCJBERMNJO-MAUKXSAKSA-N 413.478 1.566 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2-c2cc(F)ccc2F)CC1 1292889940 QNLCHQFLFPYLCF-UHFFFAOYSA-N 415.444 1.263 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1300665792 OAGAQYMXJFLARS-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1300754460 QTRQNPKQWMBGGH-SFHVURJKSA-N 411.535 1.961 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300755223 OSOIQBWCEZRQHN-HNNXBMFYSA-N 422.580 1.405 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1300777146 SSSARNOSLDMILL-INIZCTEOSA-N 423.491 1.061 30 10 HDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1301000684 WTABZFUOVKRQLD-OAHLLOKOSA-N 403.458 1.901 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2cc(C)cn2)CC1 1301106547 WERHZGDMTZKXIK-OAHLLOKOSA-N 407.544 1.496 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1301429303 SPQBQWJDTSEXRO-CYBMUJFWSA-N 424.527 1.076 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301490157 LOCMVTKQXHCESQ-UHFFFAOYSA-N 421.523 1.552 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301499063 WRYMSXPHJVPOKE-KRWDZBQOSA-N 402.543 1.979 30 10 HDEE CS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1302499827 BXLJALICNVPJGI-UHFFFAOYSA-N 408.553 1.610 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C(C)C)CCOC1 1303507814 ZCLNFCFVAKDIMG-LSTHTHJFSA-N 407.515 1.454 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1303566197 AHDIRKIJRNSNQN-NRFANRHFSA-N 412.494 1.855 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCCC1 1305589600 JSXPYHGANRIUDF-UHFFFAOYSA-N 417.466 1.431 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCC(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 1307958462 URJIRTMONRBISH-VQIMIIECSA-N 418.563 1.947 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)n(-c2ccccc2)c1C 1308147387 DLKCHERGUJBGSD-QFIPXVFZSA-N 419.489 1.635 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@@H](C)[C@@H]4C)O3)CC2)c1C#N 1313309490 HTDRXEDQKQVWNC-WFNJMBFTSA-N 416.526 1.404 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCC(=O)NC)CCOC1 1314080285 COMCSVCXGLNKQM-NRFANRHFSA-N 412.494 1.574 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CCO1 1315013726 PBWFMKLSABQPIC-SFHVURJKSA-N 417.429 1.281 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCN2CCSCC2)CCO1 1316539969 ITHYKBUFPKDKFD-INIZCTEOSA-N 404.565 1.708 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(Br)c(O)c1)c1cc[nH]n1 1321582164 DCHJYKGEXZVCRU-UHFFFAOYSA-N 411.212 1.800 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ncccc2C(F)(F)F)c1=O 1323206109 HUMHXKXODFBIJW-UHFFFAOYSA-N 417.412 1.829 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 1343059749 ORVVHXQIUOWGEH-HZPDHXFCSA-N 402.447 1.825 30 10 HDEE C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1345749674 RLVIIQUJLVYXBM-SIFVSHMBSA-N 400.519 1.727 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)C)CC1 1358912301 NZJZSLNMNDQAJB-QGZVFWFLSA-N 407.584 1.951 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1358961031 QMPNZNMHJJTHGB-SFHVURJKSA-N 424.530 1.846 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCCNS(C)(=O)=O 1358972564 JLEKPCYKKDXSTL-UHFFFAOYSA-N 411.487 1.703 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)OC 1358979559 QJAUYIJDUFUBTQ-SJORKVTESA-N 417.510 1.694 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCc1nnc2n1CCCCC2 1359022455 AKYJAXAZQSGXQH-UHFFFAOYSA-N 420.521 1.987 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1Cc1nnc2n1CCC2 1359026944 PJKJXBPHIPMLFP-UHFFFAOYSA-N 421.505 1.838 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOC(C)C)CC1 1359036518 YIPPPCCDXGJAEE-FQEVSTJZSA-N 411.506 1.971 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1359239958 BQVYWEKDQNSZNT-KRWDZBQOSA-N 423.514 1.729 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359299554 HXNALNWHZJMITO-QGZVFWFLSA-N 418.542 1.169 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1359374519 GDEZYWLPCZFORE-UHFFFAOYSA-N 407.522 1.971 30 10 HDEE C#CCN(C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1)[C@@H]1CCS(=O)(=O)C1 1359871988 WPFCELOBDOVYDE-LJQANCHMSA-N 411.483 1.525 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3nc(C)cc(C)c3C#N)C2=O)cc1 1437554297 BXGCTKCIFSTCNN-NRFANRHFSA-N 407.430 1.984 30 10 HDEE C#CC[C@]1(C(=O)Nc2nc(O)c3cnn(C)c3n2)CCCN1C(=O)OC(C)(C)C 1438088131 KLFHQUPERDWOFD-LJQANCHMSA-N 400.439 1.800 30 10 HDEE C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439612886 QDRWLSJEFMACIU-MMPTUQATSA-N 413.839 1.412 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)c1 1454006960 JPAUYZOGZDAYPX-AWEZNQCLSA-N 409.508 1.583 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)Cc3ccccc3)CC2)c1 1460042892 AXDSVGQKQKJZBS-UHFFFAOYSA-N 404.470 1.703 30 10 HDEE CN(CCCN1C(=O)c2ccccc2C1=O)CCS(=O)(=O)c1cccc(C#N)c1 1460277692 PWLJXIIMAJGNGJ-UHFFFAOYSA-N 411.483 1.950 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1463310133 ZXNXBZCRXIEVMJ-KRWDZBQOSA-N 419.547 1.649 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 1464496482 MBZLAMVWIZDHIG-JTQLQIEISA-N 420.260 1.872 30 10 HDEE C=CC1(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CN(C(=O)OC(C)(C)C)C1 1464920980 BYGIIGUGMHVDFW-WUKNDPDISA-N 404.467 1.442 30 10 HDEE C[C@]1(C2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)NC(=O)NC1=O 1465434806 DVGILWRWUAUZCD-QGZVFWFLSA-N 405.252 1.771 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCO[C@@](C)(C#N)C3)c2)C1=O 1470137101 LDGIABZMWPURAS-SFTDATJTSA-N 411.462 1.736 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H](n3cccn3)C(F)(F)F)CC2)c1C#N 1470916445 BQSBXBMZXVAWRR-AWEZNQCLSA-N 410.404 1.432 30 10 HDEE COC(=O)c1cccc2c1CCN2C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1472076188 BDRGZMUBHBFLFH-UHFFFAOYSA-N 413.455 1.786 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Oc3ccccc3OCC)c2)C1 1472246398 BDBIKARAJHDGHB-UHFFFAOYSA-N 401.440 1.673 30 10 HDEE C#CCCS(=O)(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1475503673 XPUHITLWCRSMMD-INIZCTEOSA-N 415.556 1.519 30 10 HDEE C#CCN(C(=O)NCCc1cnc(SC2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1478726765 XMVSKBYCQUHLHA-MRXNPFEDSA-N 422.576 1.886 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1500053738 FHGFXHAJBSLGDQ-PFANNTFUSA-N 402.499 1.933 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CC[C@@]3(CCOC3)O2)CCOC1 1502628411 QURIQLWSEBJENA-SGLNWRHMSA-N 419.526 1.864 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1=O 1503672015 DYZRYCNEVKDHIU-KSFYIVLOSA-N 421.505 1.387 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCS(=O)(=O)C1 1507606469 MYPXRALELXRRHS-CQSZACIVSA-N 403.464 1.748 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC12CCC(CC1)C2 1507710825 KZJVTSXVOGFBIR-GNZRSQJKSA-N 406.552 1.847 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507810178 WFDWJDPPZWAJCT-IEZWGBDMSA-N 423.583 1.682 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508160087 SICFZDZWUSBAOJ-GDBMZVCRSA-N 418.567 1.643 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1512064415 GOXLCIZAAUUZDW-MMYRVIJDSA-N 422.493 1.886 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H](C)O1 1514141753 OEKPLPXBUIMPEB-CRAIPNDOSA-N 407.482 1.897 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1521062417 CLBMBZLJULQMBH-QAPCUYQASA-N 404.450 1.136 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cnnn3-c3ccccc3)C2=O)cc1 1529898497 FHAHWGOVGKVLJM-QGZVFWFLSA-N 415.413 1.983 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1532777234 PFFGJOWVHGFHCN-XKQJLSEDSA-N 409.464 1.455 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1535416858 ACDXSLHWBAJUIP-UHFFFAOYSA-N 407.492 1.780 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3sccc3CC#N)cn2)CC1 1537605039 IXTOCULOBYNNBP-UHFFFAOYSA-N 405.505 1.543 30 10 HDEE C#CCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1538574811 KRSMTOIAFDBNTB-UHFFFAOYSA-N 420.531 1.792 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539223250 ZVLBFROOUIUEFK-SJLPKXTDSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(CC)CC 1539260320 OHCAFZRZNDIJMZ-UHFFFAOYSA-N 424.505 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1539305129 QETRCXJJSVPKSV-UHFFFAOYSA-N 414.469 1.959 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1539340318 KOBWSOCUKNJDLY-KRWDZBQOSA-N 409.494 1.643 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@H](COC)OC)CC1 1539444419 NTAPWHKWUTZDPN-GOSISDBHSA-N 422.533 1.853 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1cc[nH]n1 1539914223 QIFZVWCXASAEPK-UHFFFAOYSA-N 422.363 1.880 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1541803109 CNYHHTNNGLBCRI-HZPDHXFCSA-N 418.523 1.499 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc(-c3ccncc3)cs2)cc1 1542724033 CSWBRALCYXNVEZ-UHFFFAOYSA-N 413.484 1.671 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1545628377 KZVIQZHBHFAMDR-SGOHWPKCSA-N 415.498 1.238 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1545860977 LZEDDQSESWNLDY-DLBZAZTESA-N 404.515 1.476 30 10 HDEE CCN1CCN(CCCn2c(COc3ccc(C#N)cc3)nnc2N(C)OC)CC1 1547734626 AUASRCSTCHRDPB-UHFFFAOYSA-N 413.526 1.754 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)n(C)n1 1548369258 RKFWYVLCGSCZEN-INIZCTEOSA-N 420.395 1.435 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1555070532 KFKSTEXYXOCHNR-CSODHUTKSA-N 415.469 1.859 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3cc(O)ccc3C2)s1 1556553515 IFIRWFKTIWLZNU-UHFFFAOYSA-N 408.501 1.882 30 10 HDEE C[C@H](O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1F 1557345226 RCAPCLTXFPXSCF-ORAYPTAESA-N 419.478 1.883 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)n(C)ccn12 1558396800 QHDZZBWYSCALDJ-CQSZACIVSA-N 418.498 1.336 30 10 HDEE CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1558643334 SQTJOTVRKLZCFP-IFXJQAMLSA-N 423.535 1.705 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@]3(CCSC3)C2)CC1 1559933864 HGJCQNURDMUWCU-PZJWPPBQSA-N 418.538 1.742 30 10 HDEE Cc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(C)n1C[C@@H]1CCCOC1 1565630155 SWRRJTAJJWEJAP-XOMICKMZSA-N 400.479 1.788 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 1570300487 PGPYNVWYOLHNEE-XIKOKIGWSA-N 414.443 1.089 30 10 HDEE C=CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1586113781 VXDOIJCQZIQANV-HNNXBMFYSA-N 412.508 1.379 30 10 HDEE C#CCSCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1586900801 KUIDZYWRUZQWKL-YPMHNXCESA-N 408.442 1.733 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1587865492 PYUCMUGBYVTBGE-UHFFFAOYSA-N 405.499 1.503 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(COC(C)(C)C)on1 1587909772 SNPQUIIOGGJLEY-ZDUSSCGKSA-N 424.527 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCn2ccnc21 1588159218 SNAAEDAHZLWERO-LJQANCHMSA-N 402.506 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCOC 1588219244 PEFRVSUXGWHGFF-OAQYLSRUSA-N 413.478 1.256 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C(=O)NCC)c2)CC1 1588891097 LMSNYPHGTWHDTB-UHFFFAOYSA-N 408.506 1.350 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1588985123 OLCCEDDCGYTIEU-GVDBMIGSSA-N 421.567 1.616 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1589008048 RZIOMKVGRPORQA-MRXNPFEDSA-N 418.544 1.840 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595562224 QSKQOGIASRDSDI-KGLIPLIRSA-N 418.479 1.050 30 10 HDEE CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1615167700 FETDAHHNILOZKE-UHFFFAOYSA-N 420.564 1.651 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)cc1 1619210593 FWSCPKQDIAKQIR-FQEVSTJZSA-N 424.505 1.941 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1619589712 IJZSAZARSYKBRV-SUMDDJOVSA-N 424.505 1.726 30 10 HDEE COCCOCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1620074193 KRVCFGUNIJMOTF-KZNAEPCWSA-N 421.542 1.979 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 1620357828 QVMKEFNZWUFGSU-QGZVFWFLSA-N 402.499 1.161 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 1622632329 JTLJTUXTVBEMLH-MRXNPFEDSA-N 401.510 1.660 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1625510836 PVWNRDNQRVLUQQ-UHFFFAOYSA-N 401.488 1.684 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCCS(C)(=O)=O)C2)C1 1626981779 VEAPNDJHBNEKDO-XAUUPUKJSA-N 413.540 1.714 30 10 HDEE N#CCN1CCC(CNC(=O)c2cnc(I)c(O)c2)CC1 1627909942 NIDCXGVXOFYXCS-UHFFFAOYSA-N 400.220 1.357 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1c1ccncn1)c1ccc(Br)cc1 1628542863 KTRYYBFMPBPREJ-PMPSAXMXSA-N 401.264 1.669 30 10 HDEE C[C@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1629083133 WSTGCZKGWKHINK-SIKLNZKXSA-N 414.506 1.500 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCC1 1630296149 YESVKDCTUASYLO-QGZVFWFLSA-N 405.520 1.889 30 10 HDEE N#Cc1cn(CC(=O)NCc2csc(Cc3ccc(Cl)cc3)n2)c(=O)nc1O 1630681913 XMFMJVYUROPZHU-UHFFFAOYSA-N 415.862 1.838 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCO)CC1 1631504553 GEBGQUYVDDGDJM-KRWDZBQOSA-N 411.543 1.973 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](O)COc1cccc(C(F)(F)F)c1 1633522905 TXQPEXPBJOFHAU-ZDUSSCGKSA-N 410.414 1.345 30 10 HDEE C[C@@H](CC(=O)N1CCOc2ncccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1633528924 GWJSJJRFCOJMNJ-ZDUSSCGKSA-N 400.460 1.320 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@](CO)(C(F)(F)F)C3)C2=O)cc1 1634206158 HKGLCSLCWYEDCB-KSSFIOAISA-N 424.379 1.537 30 10 HDEE CN(C)C(=O)COC1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1635102031 LPFOFUFSVJXJHN-FAGJFJLWSA-N 420.510 1.089 30 10 HDEE Cc1nn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)o1 1636463273 DAHYNYMAKVCHQN-KNVOCYPGSA-N 409.233 1.774 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(O)(c2ccnn2C)CC1 1637170629 SDSHKOFKNBCXPS-UHFFFAOYSA-N 407.478 1.394 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC#C[C@@H]2CCCCO2)c1 1637186328 RAIBDVOORNGFPV-AWEZNQCLSA-N 414.911 1.567 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](c2ncon2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1638820749 DIGSCBXKPVBQGQ-OLZOCXBDSA-N 403.464 1.293 30 10 HDEE CO[C@H](CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)Cc1ccccc1 1641056499 FYIONIZXDKUHGO-RDJZCZTQSA-N 415.515 1.878 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](C)O[C@H](CC(F)(F)F)C1 1641092389 PRDMFQTYCRUMDE-MBNYWOFBSA-N 419.425 1.793 30 10 HDEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)c1ccc(Cl)cc1 1642102756 ASZZNNXMYMDTMO-DIOULYMOSA-N 412.920 1.920 30 10 HDEE CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1644809697 YEAJTPBLWIIIEW-ZBFHGGJFSA-N 423.535 1.989 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)cc1 1645850018 RRAHMCJBJSAISQ-HNNXBMFYSA-N 424.519 1.629 30 10 HDEE COc1ccccc1Nc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645991686 SZJTZDNIKONZJJ-VBKZILBWSA-N 412.471 1.844 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2nccn2C)C(F)(F)F)cc1 1648261763 QVTBKSSZOCMTMP-CYBMUJFWSA-N 402.398 1.918 30 10 HDEE N#Cc1cccc(ONC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1648725925 AMFCKMWNAUAPBE-UHFFFAOYSA-N 405.407 1.442 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1649538662 SZEDRLHMXRLUJI-DYESRHJHSA-N 406.527 1.708 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C(=O)OCC)c2cccnc2)cc1 1651755304 HTHAYTZGPJPTQI-GOSISDBHSA-N 417.487 1.922 30 10 HDEE C=CC[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1ccncc1 1654340817 NFSWOIUKHIYFGN-OAHLLOKOSA-N 408.462 1.819 30 10 HDEE C[C@H](C1CC1)N(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)C1CC1 1656779410 YYPLNRHLOCFLCE-CYBMUJFWSA-N 416.478 1.013 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1672902191 HQSSVUNHMVPMRB-BBWFWOEESA-N 424.542 1.783 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1)C1CCOCC1 1674597521 WJBLJKHXJQCHOG-SQWLQELKSA-N 408.442 1.566 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N[C@H](C)CC)cc1)[C@H]1CCS(=O)(=O)C1 1676787978 BCOCTKPGQXYWLT-QAPCUYQASA-N 405.520 1.547 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2ccccc21 1679943796 BTFJKLGMYZVWPJ-BZUAXINKSA-N 413.478 1.632 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680779139 SHDVOZQQOPRMRC-PMACEKPBSA-N 417.469 1.785 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CCN1Cc1ccccc1 1684245593 BLQRBZQTZOEQNJ-VQTJNVASSA-N 410.522 1.696 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(C#N)s1)CCS2(=O)=O 1686841769 NWVDXGKALQPDIO-VMBJYNEYSA-N 411.505 1.318 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1689831316 IYOXYJBKCLQKLA-OOSNJVJTSA-N 406.527 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1689847427 ZKPYEAWOJZMCAU-GOEBONIOSA-N 407.469 1.493 30 10 HDEE C#CCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1689941837 VPRYNONRDHSMEC-LAUBAEHRSA-N 401.511 1.545 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1689986355 NVMYTTOHLPHDMM-QGZVFWFLSA-N 410.503 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCOC1 1690009169 WLDJUEDGJXMITD-QGZVFWFLSA-N 402.462 1.420 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cn(C3COC3)nn2)C1 1690700577 UXWLQPBRQLYBTG-QGZVFWFLSA-N 401.515 1.859 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCN(C(C)=O)CC1 1694699430 LJXRJJATYCDVQX-UHFFFAOYSA-N 409.494 1.634 30 10 HDEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1698226300 RJMHKDYLGMIIFD-UHFFFAOYSA-N 411.510 1.487 30 10 HDEE CON(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1698271154 HLJFATUORUURLH-ZCXUNETKSA-N 416.413 1.520 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCCCO)CCN1C1CC1 1698493210 JNBYWHKIQLGZRD-PKOBYXMFSA-N 402.543 1.901 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705565644 JBJABYLTZCTPIQ-IRXDYDNUSA-N 410.540 1.571 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1705569661 JCTYMCIWZXOUIS-GOSISDBHSA-N 417.535 1.053 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1705584798 XVULCOHAORWZEL-SFHVURJKSA-N 404.474 1.238 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1705638962 CLJQSQMEENWKKV-XUVXKRRUSA-N 401.555 1.988 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN2CCSCC2)CC1 1705641578 KZYJDESPDKZMMZ-UHFFFAOYSA-N 416.620 1.734 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(CC)CC 1705668386 KDSZYNOBKPKLOB-VQIMIIECSA-N 410.588 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(C)C 1705675172 YFTFCLSIDTUBAR-FXAWDEMLSA-N 407.584 1.903 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1705724728 KWFKDCJNRFINHH-SFHVURJKSA-N 408.506 1.697 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705753450 APMCYVOSQBHLQI-HNNXBMFYSA-N 408.934 1.325 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705763220 QTOHHFLGUMVZHU-CABCVRRESA-N 406.487 1.147 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705783466 INSHGQRYAXHZOT-KRWDZBQOSA-N 409.494 1.655 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)C1 1705925116 LHPOWMZOAYMYMB-QBPKDAKJSA-N 410.540 1.387 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705926718 JPBCSLKCCNZQQA-FUHWJXTLSA-N 417.535 1.480 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1706238178 JSMMIJHDQCOHSS-UHFFFAOYSA-N 421.505 1.400 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1710447561 JAYYOJGIEDFFSY-VLIAUNLRSA-N 415.450 1.442 30 10 HDEE CSC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1712716508 AZENZVWHZMABIM-CYBMUJFWSA-N 401.496 1.796 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1722285187 UEAGXWBXGRRIOZ-HNNXBMFYSA-N 403.508 1.650 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@H]1COCCO1 1722375649 FFJTURCFCGVKBO-SFHVURJKSA-N 402.458 1.823 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1cn(C2COC2)nn1 1722424335 JYMBZZMYHULKSI-UHFFFAOYSA-N 423.477 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCC2)CC1 1722447089 DMAMVJACDIKSJC-IBGZPJMESA-N 414.554 1.581 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1722459246 GSXQLHPVUOODBS-CVEARBPZSA-N 411.597 1.077 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1722609006 PPGGXSOLQPLDGX-OAHLLOKOSA-N 412.560 1.159 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622371 JAUDZEGWEIEWME-OXJNMPFZSA-N 405.499 1.926 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722685154 SWQSUXYWHZYRPE-KRWDZBQOSA-N 412.469 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCNC(=O)C1 1722694445 VYLULUGPRNJGCB-ZDUSSCGKSA-N 414.535 1.370 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCC2)CC1 1722698749 LNTQPMGRGLTDBJ-KRWDZBQOSA-N 402.543 1.539 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc([C@H](C)O)cc2)n1 1726135792 CIQIFSPQDDUMAH-PXNSSMCTSA-N 421.505 1.970 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC(C)(C)N2CCOCC2)cn1 1729568102 BXPFEEYRTMCOIG-UHFFFAOYSA-N 412.542 1.919 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1730917626 BQIYJFJAPDEYID-NRFANRHFSA-N 412.494 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1740531387 KXCCLTXSESBEPE-PXNSSMCTSA-N 424.549 1.489 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1740624972 BZGWNLMELQENOY-DLBZAZTESA-N 404.492 1.788 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)COCCO1 1740766858 MRRGMCJYDPEHNW-YOEHRIQHSA-N 401.533 1.096 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740779204 UUXNIBJUWYGPCA-HNNXBMFYSA-N 424.571 1.446 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCCCCC1 1740955555 XQKHDMPWWPHKIE-UHFFFAOYSA-N 421.509 1.994 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)N(C)C 1741833272 DJIYVRUJMOODIC-VFNWGFHPSA-N 409.494 1.798 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1745200265 DEHRYRGPRNBRSX-GDBMZVCRSA-N 401.515 1.522 30 10 HDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCS(=O)(=O)CC1 1748735105 OMXCXEDHUCKKMY-UHFFFAOYSA-N 410.503 1.983 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1748906576 WFCIXQDWLOXZDE-DLBZAZTESA-N 410.588 1.470 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1748929146 DTKTTZZZYNPILB-QGZVFWFLSA-N 404.540 1.543 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1748962991 VWPNNWYSFLZEPI-INIZCTEOSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCN2CCN(C)C(C)(C)C2)CC1 1748983989 DZCSKVDBNNRKLR-UHFFFAOYSA-N 421.593 1.726 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1749131030 PNUNFIFJMXBCGL-YVSFHVDLSA-N 407.540 1.757 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749430087 QZARVGAECHMDAS-QGZVFWFLSA-N 406.494 1.789 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1749585065 XBPJUEYEKNEWJO-QGZVFWFLSA-N 417.535 1.509 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC12CCOCC2 1749600871 RFBAZQKATIEDPF-QGZVFWFLSA-N 403.527 1.856 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCCCC1 1760154766 HXALQXDAGGOURN-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(OCCO)c(OC)c1 1760173789 CYBVVOUZEKCXNW-UHFFFAOYSA-N 407.474 1.761 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cnc2ccccc21 1760217422 AOMFSWIOZOCOSD-GOSISDBHSA-N 401.474 1.742 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1760233295 UKZAEPBAKYIYSV-NYHFZMIOSA-N 422.489 1.191 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1760250169 WXENPMDQUWSWTF-SFHVURJKSA-N 422.493 1.282 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760373016 DNFBTUVYQVPVDE-LLVKDONJSA-N 413.887 1.382 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760512732 FDOKEHQPECPBNL-UHFFFAOYSA-N 402.474 1.440 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(C)(=O)=O)C1 1760539106 KGMKIPIVPJXAIA-QGZVFWFLSA-N 406.508 1.780 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1760565138 OMWOZLGZRMFNQO-OAHLLOKOSA-N 406.556 1.501 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1761258300 OQRGXPNOYHXBDU-HOTGVXAUSA-N 410.434 1.455 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)[C@H](C)CC 1764187027 BJVPOIMDFSYKFK-AKCHCHLHSA-N 406.531 1.722 30 10 HDEE CCN1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1=O 1765484443 DZVAVQBOXRHYNR-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1767435290 PGEQRWYBQMVOJK-QGZVFWFLSA-N 419.507 1.389 30 10 HDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CC(=O)N1CCOCC1 1770440772 HBBJWQASPMADCZ-UHFFFAOYSA-N 424.505 1.476 30 10 HDEE CSC1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1770472179 BTNUZHIRWBFUOO-QGZVFWFLSA-N 414.535 1.905 30 10 HDEE C=CCCCN(CC)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1772561048 HETHHYSFIJPYSD-UHFFFAOYSA-N 409.556 1.531 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(F)ccc(F)c2C1 1772566666 SQWIGDPNZAHFEO-MRXNPFEDSA-N 416.432 1.372 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848719663 FGSNVLLKWMCAHY-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CCC(=O)NC1 1848788755 UTEFVLAKJKBYMO-RBUKOAKNSA-N 402.491 1.564 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)C[C@H]3COc4ccccc4O3)CC2)nc1 1852059462 XVFRYSHQIYLPKA-SFHVURJKSA-N 408.458 1.849 30 10 HDEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1853402019 YGWWFEKJONJUCJ-CQSZACIVSA-N 419.445 1.868 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CC4CCOCC4)C3)CC2=O)cc1C#N 1853718839 VLOSEQICTBMVQR-OAQYLSRUSA-N 410.518 1.652 30 10 HDEE C[C@H]1C(=O)N(C(=O)C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)CC#N 1854872182 DTPUFHKFVNWJND-INIZCTEOSA-N 411.483 1.731 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855574066 KRTJABLFJBWFMA-IAGOWNOFSA-N 416.547 1.691 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)cn1 1856454945 LHQXPQMMIWSELP-GOSISDBHSA-N 405.458 1.978 30 10 HDEE COC1CCN(C2CN([C@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C3=O)C2)CC1 1856810200 NGUFHIIVQLQZQB-NRFANRHFSA-N 410.518 1.413 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C(=O)C2)C1 1856857880 NPPAJYUHCHUJBX-OALUTQOASA-N 414.506 1.184 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@H]1CCN(C)C1=O 1857274819 SVFFBRMBYDHDRQ-PBHICJAKSA-N 417.531 1.528 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862179873 HNZGTTNIKLFVFD-KRWDZBQOSA-N 413.474 1.533 30 10 HDEE C=CCOc1cn(CCCOC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870810845 VAARNTDSDXEPJY-UHFFFAOYSA-N 407.492 1.709 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688057 WLQJRFYQODGLQC-CQSZACIVSA-N 400.483 1.447 30 10 HDEE C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)Nc1cccc(C#N)c1 1873866969 PJDQLPZHVQIEOJ-DZGCQCFKSA-N 420.425 1.783 30 10 HDEE C=C(Br)CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1883385783 FQEJVXPAMLGINT-LBPRGKRZSA-N 406.254 1.689 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN3CCCC3)OCC(=O)N2C(C)C)cc1 1889241715 QEOJNCDHJNGCHM-FGZHOGPDSA-N 413.518 1.588 30 10 HDEE CCCc1nnsc1C(=O)N1CCC(OCC#CCN2CCN(CC)CC2)CC1 1890850900 NDBHAPNSJBUEGL-UHFFFAOYSA-N 419.595 1.753 30 10 HDEE C[C@H](C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1890870071 ULDAWMGYMPATRL-QAPCUYQASA-N 414.487 1.788 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1896955089 NFWBHKPITAGWNF-JZKQVHKSSA-N 410.320 1.957 30 10 HDEE C#CCOC1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2089706156 XPACUVNHFDNCMG-UHFFFAOYSA-N 418.515 1.897 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 2174780850 ZAJJRXUTIFWXBB-UKRRQHHQSA-N 402.517 1.081 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)N1CCC[C@@H](C#N)C1 2174786687 MBWZBCSEVYTLJY-PMPSAXMXSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2174790066 YDZIIXWWSMIYSD-RYZVSIALSA-N 414.509 1.749 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@@H](O)C1 2174916857 BDFIJQYWDRPBHO-MRXNPFEDSA-N 401.529 1.023 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2199850735 DFEXLSYSTYEIDW-BWAGFHJFSA-N 418.490 1.579 30 10 HDEE CCS(=O)(=O)CNC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2233878439 GQJKRHMGGSDPKG-UHFFFAOYSA-N 402.347 1.581 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)N3CCOCC3)ccc2Cl)OC1(C)C 2241158475 SVNNIGDLPFVTHS-UHFFFAOYSA-N 403.697 1.023 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCCO1 2243380894 GSLDAYSTXUBSDI-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247863948 YIHKINNSTHUGOT-HUUCEWRRSA-N 421.303 1.336 30 10 HDEE CCn1cc(C(=O)NOCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247911597 WVCVXVQJIFTFNR-UHFFFAOYSA-N 424.307 1.388 30 10 HDEE Cn1ncc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247916094 POOAJBDJYXPPKI-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE Cc1nn(C)c(C(=O)N(CC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2248574675 UIVQOFKKQFDBGB-UHFFFAOYSA-N 413.283 1.755 30 10 HDEE COC(=O)[C@H](CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2250002804 PFMNGFJSWKECJT-AWEZNQCLSA-N 424.303 1.584 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)OC1(C)C 2256063436 OVROJBKWCBBKPG-IRXDYDNUSA-N 420.322 1.636 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258139918 ZQCXARHEOBHBGV-RDJZCZTQSA-N 408.476 1.431 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267412525 OBLIUWCUTIYMGE-PWSUYJOCSA-N 407.388 1.438 30 10 HDEE CC1(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CS(=O)(=O)C1 2281940041 KJBSWXVYXKUGIR-UHFFFAOYSA-N 419.761 1.865 30 10 HDEE CSC[C@@](C)(O)CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282036106 DREOMGJXFBMTPJ-INIZCTEOSA-N 403.741 1.217 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](O)CC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282326379 RPLLRUSGFXRSQM-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282420431 YZPDUWJASPGCLN-GXFFZTMASA-N 401.359 1.665 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCC[C@@H]3C3OCCO3)c2)OC1(C)C 2282506896 YZNNRJKZNWLZSY-QGZVFWFLSA-N 423.340 1.653 30 10 HDEE COC(=O)[C@H](N)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282629388 VFFHVWJHOGRNQX-SNVBAGLBSA-N 402.709 1.321 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)C(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282832567 AVUPEVHTDCDBKQ-GFCCVEGCSA-N 401.359 1.747 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](CCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841426 USJONUPCXNSPSJ-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE CC1(CN)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282851314 ACXOPVFQETUMSX-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(OC(F)(F)F)C3)c2)OC1(C)C 2282864874 MHHOFJMKEYHWPL-UHFFFAOYSA-N 413.248 1.957 30 10 HDEE COc1[nH]c(=N[C@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2301563038 VEQOUOLZAFYARG-CYBMUJFWSA-N 421.303 1.774 30 10 HDEE O=C(O)C1(NCCC#CBr)[C@H]2COC[C@H]1CN(Cc1ccccc1)C2 2321841301 QSHSQJKCIOACRR-IAGOWNOFSA-N 407.308 1.924 30 10 HDEE C#Cc1ncccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2322513830 BMGGNRNKQFUBTP-MRXNPFEDSA-N 403.416 1.184 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCCO)cc2F)OC1(C)C 2360779096 HGPDLKRFTRXHNN-UHFFFAOYSA-N 405.322 1.129 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCC3(CC2)OCCO3)n1C 2362435168 CAAQCJYLAGNDAO-UHFFFAOYSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(F)(C#N)C3)ccc2Cl)OC1(C)C 2365150553 STOSEURQEQYCDV-UHFFFAOYSA-N 400.668 1.875 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCNC(=O)OC(C)(C)C)OC 2367805338 ALVNBJPSNGBDAR-CVEARBPZSA-N 402.557 1.865 30 10 HDEE C=CC1(N[C@@]2(C(=O)O)C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 2378875268 GRMLFQJVDXIMMP-MCBXIFIFSA-N 400.497 1.030 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CCS(=O)(=O)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2379627948 OKSYHWPMRQUEEQ-SCLBCKFNSA-N 402.513 1.562 30 10 HDEE CC(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 7962627 UMDSXNJRFWFSDL-UHFFFAOYSA-N 403.485 1.969 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)CC1 27900627 NVZCEYWMIUWJMM-OAHLLOKOSA-N 412.490 1.882 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 102740369 VEKXWVGKQLHWPO-FXBHHXAOSA-N 400.435 1.373 30 10 HDEE CCOCCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 109085540 NTHKFHQLCUEALQ-UHFFFAOYSA-N 416.503 1.879 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cncc(I)c2=O)cc1 163379407 AHQZSTGVBUCDOK-UHFFFAOYSA-N 415.212 1.193 30 10 HDEE Cn1ncc(C#N)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 170524733 DYJGXZVTRXSQPV-UHFFFAOYSA-N 409.855 1.218 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2cc(C#N)ccc2[N+](=O)[O-])CC1 302212609 NBQKSTSXEDFDSF-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 404828437 SHSCGPGJMWCIIE-SNVBAGLBSA-N 403.693 1.942 30 10 HDEE CNC(=O)C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1ccccc1 431091175 PKGJJIWPROVVDS-WBVHZDCISA-N 407.478 1.446 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ncn(Cc3cccc(F)c3)n2)CC1 444105553 OSQSDELIPNKEEE-UHFFFAOYSA-N 420.452 1.764 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@]2(CC)OCCc3ccccc32)CC1 462163831 LHAJOWPXQFVNQQ-QFIPXVFZSA-N 400.523 1.494 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 467697219 QSKQFJVMZBANSR-INIZCTEOSA-N 418.906 1.917 30 10 HDEE CS(=O)(=O)CC[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 469292853 YMYMEIGLUDTRHF-IBGZPJMESA-N 412.515 1.820 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 474766508 HVHCCNVLJQNUKC-GOSISDBHSA-N 419.503 1.274 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1ccc2cc(I)ccc2n1 483604028 GADPNXXYXUZXKP-UHFFFAOYSA-N 409.183 1.978 30 10 HDEE CCCCNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505018483 KVVVJSAFYLDRRI-UHFFFAOYSA-N 406.508 1.856 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccccc2C#N)CC1 505645628 FZJKMQUQKOBCRL-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE C=CCOc1ccc(CN2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 509369535 DIGSAXJLXIXZRV-QZTJIDSGSA-N 409.552 1.723 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 511498216 HWZNQZLKUHACSD-UHFFFAOYSA-N 401.423 1.813 30 10 HDEE Cc1nc(CN2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n[nH]1 530880293 LHYAUQBOXSUOOH-UHFFFAOYSA-N 409.494 1.484 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](O)C2CCOCC2)CC1 536608933 QYICRYRKMQCVQH-QZTJIDSGSA-N 422.323 1.945 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 544727266 FTNCPOMXGLPLBW-UHFFFAOYSA-N 412.467 1.539 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 554524171 UYBSZZLJSASJSV-QGZVFWFLSA-N 421.505 1.573 30 10 HDEE O=S1(=O)N/C(=N/CC2CN(c3ccc(-c4ccncc4)nn3)C2)c2ccccc21 585592317 VOTUJWHOQSTRFS-UHFFFAOYSA-N 406.471 1.714 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)Cn3c(O)nc4ccccc4c3=O)CC2)nc1 608950929 HYDNMGIRRZQDRG-UHFFFAOYSA-N 404.430 1.154 30 10 HDEE Cc1c(NC(=O)Cc2noc(-c3ccnc(C#N)c3)n2)c(=O)n(-c2ccccc2)n1C 619507979 XPNNLNHJWUMEPR-UHFFFAOYSA-N 415.413 1.982 30 10 HDEE CC#CCN(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 647540599 UAEQMFCMJUEQCX-UHFFFAOYSA-N 401.282 1.284 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CCN2C1=O 675139788 AVORNAQIYWFLAH-LJQANCHMSA-N 403.442 1.982 30 10 HDEE C=CCOCCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 679518013 NJDAFHPPTAWLOT-UHFFFAOYSA-N 407.492 1.903 30 10 HDEE C#CCn1ncc(NCc2c(Br)cnn2C)c(Br)c1=O 693500027 BERNUILHLAOVOX-UHFFFAOYSA-N 401.062 1.747 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732466189 MNHITPASALMEMW-WUKNDPDISA-N 421.498 1.554 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CCN1C1CC1 732651986 LVPKEMYHOAZZPU-SFHVURJKSA-N 415.453 1.904 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)NC(C)C 732652337 WSRPVADGULXFQC-MRXNPFEDSA-N 406.508 1.194 30 10 HDEE CCCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732707360 YVRDGHFMFLRILL-OAHLLOKOSA-N 417.897 1.617 30 10 HDEE CN1C(=O)C[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H]1c1cccnc1 733927993 KNJSLUPXTJBMKD-RXVVDRJESA-N 404.474 1.653 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)NC(C)=O)cc1 734292811 GZUANXPRXFQWQX-GOSISDBHSA-N 415.471 1.948 30 10 HDEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 735969986 RNHFPKMIXZFNKR-IHIJCHFRSA-N 423.970 1.745 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 736329073 CWURVRCFPBLRCQ-DGCLKSJQSA-N 403.909 1.474 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC(NC(=O)OC(C)(C)C)CC2)CC1 740490719 SVZXGXWPSFRATQ-UHFFFAOYSA-N 423.558 1.452 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCc1c[nH]c2ccccc12 741342167 FUKIVSWWWKDZNX-AEDOZVOFSA-N 424.457 1.675 30 10 HDEE C#CCNC(=O)COC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 748897652 DRCIHBARQWHLOH-UHFFFAOYSA-N 403.236 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCCOc1cccc(C#N)c1 755185392 GXEPEMDYHPFUES-QGZVFWFLSA-N 417.462 1.996 30 10 HDEE N#Cc1cccc(N2CCN(CN3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 760552146 OODDVYMRHVYKKN-UHFFFAOYSA-N 421.417 1.410 30 10 HDEE CC1(c2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)OCCO1 767855754 LDLYJIQZYUPLDU-UHFFFAOYSA-N 414.487 1.684 30 10 HDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N[C@H](C#N)C2CC2)C1=O 771472628 BBHUZZXCXLDYHZ-CXAGYDPISA-N 405.252 1.634 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1)[C@@H]1CCCO1 773792552 DUDFEJDECYSWMD-KGLIPLIRSA-N 409.236 1.471 30 10 HDEE COc1cccc([C@@H](CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)N(C)C)c1 774948773 QGNZKSMKNNBJTL-LJQANCHMSA-N 410.474 1.611 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2cccc(C#N)c2)[C@H](C)O)cc1C 777289630 AMHBREGVDLIVIS-HNAYVOBHSA-N 402.472 1.946 30 10 HDEE N#C[C@@H](C(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1)c1nc(O)c2ccccc2n1 778208358 KEUOUUSABNVZNM-INIZCTEOSA-N 417.473 1.934 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 780930486 DCGMLRFWZZMZHF-HKUYNNGSSA-N 417.462 1.700 30 10 HDEE C[C@H](CC(=O)NC1(CO)Cc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 781094375 CZLLRWGMIGRBEY-CQSZACIVSA-N 413.499 1.150 30 10 HDEE CCn1nc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)c(=O)c2ccccc21 781593440 BKGBXIPDOFBGTF-UHFFFAOYSA-N 400.391 1.546 30 10 HDEE COC(=O)N1CCC([C@@H](C)NCC#CCN[C@H](C)C2CCN(C(=O)OC)CC2)CC1 792880225 PQCPOESBFJTUOV-QZTJIDSGSA-N 422.570 1.903 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](OC)[C@H](OC)C1 800780347 RLEKMEZMUMCPAL-CALCHBBNSA-N 401.467 1.741 30 10 HDEE C=CC[C@@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 802464707 ADQKIVNYBRKBNJ-UONOGXRCSA-N 424.464 1.706 30 10 HDEE CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802606971 XEKSRGZGWZAYCX-LJQANCHMSA-N 412.542 1.743 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Cl)cc1 810473022 BIDXGRNZBOUTAR-GOSISDBHSA-N 410.861 1.705 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1nccs1)C(F)(F)F 818320830 BICFQTSVQNHDJR-LBPRGKRZSA-N 418.422 1.992 30 10 HDEE C[C@H](C(=O)N(C)Cc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1124864463 YDQNTBAMDZYVMD-OAHLLOKOSA-N 400.479 1.984 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cc(C#N)ccc2F)C1 1129603116 MWVMMCNIONFWIX-BFUOFWGJSA-N 423.466 1.918 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cn3cnc4sccc4c3=O)c2C#N)C1 1131603678 DPIPFKHGUXWYLD-UHFFFAOYSA-N 413.484 1.934 30 10 HDEE Cc1oc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1S(=O)(=O)N1CCCC1 1135006663 YAOLEKFKTTXXEE-UHFFFAOYSA-N 405.436 1.223 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 1136286052 AWRJCMYBPQQGDC-UHFFFAOYSA-N 417.510 1.089 30 10 HDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C#N)CO)c1 1140739532 LVOPHYFIQWKZGH-TZMCWYRMSA-N 403.435 1.580 30 10 HDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1159132194 GOWBPCWJTRXBSG-INIZCTEOSA-N 407.467 1.500 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@@H]2CO)cc1 1178770371 UBGJCHXTNIODKX-SFHVURJKSA-N 402.472 1.719 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1212242459 ZXTBCNCZOPDKPQ-YOEHRIQHSA-N 406.504 1.819 30 10 HDEE C=CCC1(NC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CCOCC1 1216852866 ZGESANAVZOQURH-UHFFFAOYSA-N 410.496 1.349 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 1223531454 YHESWBDDMWWATD-GOSISDBHSA-N 401.507 1.838 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 1234065711 UKWRHYJADFKCMW-FUHWJXTLSA-N 404.492 1.142 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1286377143 SUDDJTCMNGWQTE-KOHRHEQBSA-N 407.540 1.261 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1286470705 BNFQELWLFHIMPH-GBESFXJTSA-N 405.543 1.572 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1286479976 QWGZFPXXISPNLO-HXUWFJFHSA-N 400.571 1.658 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCOC2(CCCCCC2)C1 1286786555 GTVXRTRFTZCANO-UHFFFAOYSA-N 411.510 1.967 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286790134 CGGUTGLZIQRNDL-KRWDZBQOSA-N 404.559 1.470 30 10 HDEE C#CCN(C(=O)[C@H](CCOC)NC(=O)OCc1ccccc1)C1CCN(C)CC1 1289195237 GDUCXPUUMMZANI-FQEVSTJZSA-N 401.507 1.874 30 10 HDEE COc1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)NC1CCCC1 1289339672 WVFQFJVSMCCNRL-IBGZPJMESA-N 407.492 1.671 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 1290746872 DCIUUKBSYNFJCQ-CYBMUJFWSA-N 421.500 1.117 30 10 HDEE C[C@H]1C[C@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291041618 DPDRCBWBSVUHFV-WMLDXEAASA-N 416.507 1.391 30 10 HDEE COCCOc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1291559897 RTMGTRWLBHZVCI-UHFFFAOYSA-N 407.423 1.473 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1295959514 HUXBIMSDHWJDPJ-UHFFFAOYSA-N 419.493 1.535 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)nc1=N 1296975317 MVCKCPUSUOLMHX-UHFFFAOYSA-N 403.284 1.811 30 10 HDEE Cc1ccc(C(=O)NCCN(C)CCCN(C)C)cc1B1OC(C)(C)C(C)(C)O1 1300614288 XZEYLCRPOCBLGH-UHFFFAOYSA-N 403.376 1.908 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)COC1 1300664029 NKPBHWZIFYKWHT-UHFFFAOYSA-N 422.489 1.315 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cnc2ccccc21 1300666429 YVHVYRZDFZFLEY-KRWDZBQOSA-N 407.478 1.365 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCC=CO2)CC1 1300719886 UMKLTMFUPVMPKQ-GOSISDBHSA-N 409.494 1.337 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300997690 YCENEYNHAOOCGT-CABCVRRESA-N 405.455 1.107 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301197124 DXECPLZFYFWJEZ-INIZCTEOSA-N 404.515 1.210 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1301262039 PGZIWDNBZOAYRF-IRXDYDNUSA-N 422.530 1.056 30 10 HDEE C=CCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1301474047 RYTRPOSBKMBJCD-CXAGYDPISA-N 417.432 1.621 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)o1 1302836220 IEGQEMMAMUSMOP-INIZCTEOSA-N 409.442 1.833 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cn(C4CC4)c(=O)nc3O)n[nH]2)c1C 1303102970 QNPCRIXAMILUBX-UHFFFAOYSA-N 409.450 1.603 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(F)c1 1303835872 FUDFCJZYJRDQCG-YVEFUNNKSA-N 410.450 1.518 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)Nc2c(C#N)cnn2-c2ccccc2)n[nH]1 1308162226 VUTMFGBIAQKXKE-CVEARBPZSA-N 406.450 1.171 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)cn1 1315501782 BENDFFHGERLVAD-UHFFFAOYSA-N 409.494 1.982 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)C1 1320061021 UHUTUCUUDQXIHL-QGZVFWFLSA-N 402.495 1.892 30 10 HDEE C=CCC1(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCOCC1 1353956987 ZAJZSFZBBRADAJ-UHFFFAOYSA-N 411.480 1.899 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c([N+](=O)[O-])c1 1357210485 UJDVAXQMRJZXHB-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1358911222 NWSSKZCKRSHICW-LJQANCHMSA-N 424.553 1.479 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(COC)CCOCC2)CC1 1359033900 VJRLIVZGMQEUPP-UHFFFAOYSA-N 410.522 1.539 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(N(C)C)CCC2)CC1 1359037921 DDRJTWWARNEALH-UHFFFAOYSA-N 410.570 1.379 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359131215 LQKAUPBNPKOIFV-LSDHHAIUSA-N 410.544 1.529 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(C)S(=O)(=O)CC)CC1 1359158328 NKEDDQQNQHUTAJ-UHFFFAOYSA-N 424.571 1.342 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOC2=O)CC1 1359179308 RBATUCQUJUMHEB-INIZCTEOSA-N 423.539 1.425 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359223431 KVXARYVCAKKUJB-INIZCTEOSA-N 400.483 1.995 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(S(C)(=O)=O)CC1 1359235790 NPSJERHRECPVJG-UHFFFAOYSA-N 414.495 1.120 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1359240768 XEHIUCBVIWNXHH-QGZVFWFLSA-N 421.523 1.182 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](COC)C1 1359301809 LQGYIXDHYNCOBG-CQSZACIVSA-N 405.449 1.922 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1359303959 GNJKYUAGYGRCMO-MRXNPFEDSA-N 401.515 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC(O)CC2)C1 1359311967 LMVBYNJKTNQSLT-SFHVURJKSA-N 420.558 1.044 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCCn2cc(CO)nn2)C1 1359317534 LAXZRVUSIYWJHN-IBGZPJMESA-N 409.494 1.901 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccc1 1437068460 AGFPDDYTGBLLNW-IBGZPJMESA-N 402.447 1.951 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N(CC)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1462694093 KDJBBMHIEGDPIZ-INIZCTEOSA-N 414.549 1.119 30 10 HDEE N#Cc1c(CCCNC(=O)CCN2CC[C@H](F)C2)nn(-c2ccc(F)cc2)c1N 1464100267 JREDRQZVVWJXGX-HNNXBMFYSA-N 402.449 1.948 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1464302500 OKARQTFATIICKI-GOSISDBHSA-N 424.544 1.404 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1464935201 DYBSPEFMPSVNFX-UHFFFAOYSA-N 407.312 1.947 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 1465374406 YAGRJUOBLCCEHQ-QAQDUYKDSA-N 404.536 1.936 30 10 HDEE CCON(C)C(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1469800590 USKNVOWCGLLLEH-SFHVURJKSA-N 416.478 1.919 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1471225605 SWDKEHSIDITLNI-IAGOWNOFSA-N 409.527 1.866 30 10 HDEE C#CCN(CC(=O)NCCN1Cc2ccccc2OCC1=O)C(=O)OC(C)(C)C 1471800434 GNXCFYYZRSZTEO-UHFFFAOYSA-N 401.463 1.394 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2nc3c(s2)COCC3)cc1 1472133203 ROYSGMHOGGDBBK-UHFFFAOYSA-N 420.516 1.380 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2nccn2C)C(F)(F)F)cc1 1472439012 UCZXNHYCNWJHSQ-CYBMUJFWSA-N 400.382 1.365 30 10 HDEE COCCN(C(=O)OC(C)(C)C)C1CCN(CC(=O)N(CCC#N)CCC#N)CC1 1473613253 MXZNAQCKYDQCEF-UHFFFAOYSA-N 421.542 1.990 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1473617839 DBOSZKMPLTXHFD-XLIONFOSSA-N 421.567 1.082 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1475292606 HZZBZQBFENJXHG-JTQLQIEISA-N 412.327 1.458 30 10 HDEE C#Cc1cccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)c1 1478816180 SBCSUAZTEACYNP-UHFFFAOYSA-N 405.451 1.675 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CCO[C@H](C#N)C2)CC1 1479246947 NELNKZGYOBCXDZ-QGZVFWFLSA-N 409.531 1.643 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1=O 1502303821 MHSXMMBTWHDOBI-QGZVFWFLSA-N 400.458 1.860 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1507513617 AURHXAGKQVIIRM-CHWSQXEVSA-N 408.553 1.511 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1507517307 PERAUUJFYHQJJO-HOCLYGCPSA-N 421.571 1.700 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1507569889 KJBZHQXTYYDNOO-SVMVAKDDSA-N 415.538 1.977 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(CCC)CCC2)CC1 1507731533 KWOTXOIMECEXRE-GOSISDBHSA-N 419.595 1.906 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2C[C@@H]2C)CC1 1507735927 JMGLEWQJXZXYGU-XYJFISCASA-N 403.527 1.624 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1507797510 DKWYMCCQNVKOQQ-MPGHIAIKSA-N 404.515 1.171 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC2(CC1)CNC(=O)C2 1507809258 IXYAEXSNYMUDIM-VQIMIIECSA-N 403.527 1.902 30 10 HDEE C=C(C)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507835125 LTLOCPOOGNFMSP-WOJBJXKFSA-N 424.567 1.910 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[C@]2(CCOC2)O1 1508041732 SGBFUJCOHZYFEP-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1508085217 GIEAJJWNNNKPIV-PBHICJAKSA-N 412.494 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508135646 KIHUKNXRPWAJHL-CALCHBBNSA-N 404.492 1.416 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(CCc2ccccc2)CC1 1508145190 KDGGRMNSNQZBEY-UHFFFAOYSA-N 417.579 1.806 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCCS(C)(=O)=O 1508407150 PYEXMNJPQHSRFV-OAHLLOKOSA-N 410.544 1.325 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C1CC1 1508579953 DHABVKVFTHWDST-UHFFFAOYSA-N 423.521 1.928 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508816117 NHFXOOGKQQOFHH-MSOLQXFVSA-N 421.505 1.304 30 10 HDEE C[C@](O)(Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510231837 ALLABKYJBQZWJT-KNQAVFIVSA-N 404.474 1.900 30 10 HDEE C[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1512449913 IHUYYWBYHUSZOA-LTRYHMRKSA-N 400.483 1.686 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1518749025 GFUIYRQBGZSTRP-BZUAXINKSA-N 401.398 1.915 30 10 HDEE C=CCCn1cc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)nn1 1520943486 FZRIKNNTUMFDQX-UHFFFAOYSA-N 418.306 1.869 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COc1ccc(OC)cc1 1522154117 PKBMHVAFZMQUNV-NSYSGPAISA-N 400.475 1.913 30 10 HDEE CC(C)(C)OC(=O)Cn1cnc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1526731528 PFNUZXCDEXPVGM-AWEZNQCLSA-N 410.434 1.483 30 10 HDEE N#C[C@]1(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCCOC1 1527534452 FQVNFYYSQYZUSY-LJQANCHMSA-N 409.483 1.805 30 10 HDEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)nn1C 1537537164 GZZWHUKAUHSVKG-UHFFFAOYSA-N 405.455 1.779 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1539012053 DZQQWRRBRLKORZ-DOTOQJQBSA-N 417.535 1.870 30 10 HDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1539060260 PWXRBCMILPAIAN-UHFFFAOYSA-N 405.499 1.969 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539115667 AQUHTCFEDWMHGK-KRWDZBQOSA-N 409.556 1.793 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1539413540 MJHITJSXGLUWPS-UHFFFAOYSA-N 417.535 1.522 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1539714690 SYGNIDWEFJLZHL-QGZVFWFLSA-N 410.526 1.872 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1540858198 LYDXPMJEZDATLY-OXJNMPFZSA-N 402.520 1.773 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCOCC2)C1 1540889144 FZGKZRHMTFJNEO-GOSISDBHSA-N 415.542 1.571 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NC(C)C)C1 1540894578 ASIJCYOLNZBGOV-KRWDZBQOSA-N 401.515 1.446 30 10 HDEE Cn1nc2c(c1C(=O)Nc1cnn(Cc3ccc(C#N)cc3)c1)CS(=O)(=O)CC2 1545016826 VFVSWTAPPGSFFM-UHFFFAOYSA-N 410.459 1.260 30 10 HDEE CCSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1552621047 MHRJGPMDJPLGDY-CZUORRHYSA-N 401.533 1.765 30 10 HDEE O=C(NCC#CCO)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 1556370277 NBBWASUUDIFZIF-UHFFFAOYSA-N 423.288 1.975 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1(O)CN(C(=O)OCc2ccccc2)C1 1556855635 MIPYWDGVWGBVJL-UHFFFAOYSA-N 423.469 1.917 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(=O)OC 1556970679 DXFDPVGNGRMQDR-SFHVURJKSA-N 420.531 1.694 30 10 HDEE C=CCC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OCC 1569186402 BCBPMAKPCHOACE-BPQIPLTHSA-N 406.454 1.344 30 10 HDEE O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N[C@H]1CCCN(O)C1=O 1569676440 TVLYXLFNQSJNDO-HNNXBMFYSA-N 401.492 1.792 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1585081750 ZAAADIAXCRQZOB-NSHDSACASA-N 410.393 1.642 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2c3ccccc3CC[C@@H]2N2CCCC2)C1=O 1585762329 GZWRAVHMUDEAMC-PKOBYXMFSA-N 410.474 1.231 30 10 HDEE CC(=O)NC1(c2noc(CCC(=O)N3CCN(CCC#N)CC3)n2)CCCCCC1 1587541585 GEBVPQHADCZBPH-UHFFFAOYSA-N 416.526 1.746 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1588016304 NTKOUVQUILOTNA-UHFFFAOYSA-N 407.471 1.101 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(NS(C)(=O)=O)CC2)CC1 1588157624 DRBFWCDAOCBNOB-UHFFFAOYSA-N 413.540 1.177 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1588890847 GNODUYUTIINWGW-OAHLLOKOSA-N 412.460 1.437 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@@H](C)CC)CC1 1594014760 VTLOQBDKRCEOHL-GJZGRUSLSA-N 412.560 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC2)CC1 1595798653 RRTMUAFTSSURNX-INIZCTEOSA-N 409.556 1.057 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1596830517 CDIUFBBCIMERJO-RHSMWYFYSA-N 419.507 1.821 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1608474125 NMDIRJZXTFSTTL-LAUBAEHRSA-N 418.542 1.990 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1611315345 WJPHLJDJNPMRGF-SUMWQHHRSA-N 409.537 1.218 30 10 HDEE Cc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612604883 BEAHDUVCHCHZDA-VHEBQXMUSA-N 415.542 1.671 30 10 HDEE C[C@@H]1CCCN1c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612809165 NGZLYPIULBOYBM-ZFDMEJTGSA-N 413.482 1.029 30 10 HDEE COc1cccc(CN2/C(=N\C(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 1615097424 PWFODRFQFCSELM-YWSGRJLUSA-N 410.517 1.471 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(F)(F)c2cc(Cl)ccc2OC)CC1 1615208864 JBAFOEIFIQSECM-UHFFFAOYSA-N 413.852 1.724 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)=O)nn1 1622265052 AIZYYJJYBACWDA-UHFFFAOYSA-N 403.508 1.977 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1623474952 BGZUJNDRWLNINE-UHFFFAOYSA-N 409.512 1.092 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1623659385 QRBFOGPJMRTSHJ-HNNXBMFYSA-N 420.535 1.394 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 1624927340 YXRMNDUSLHMUIK-GICLCMKGSA-N 420.495 1.114 30 10 HDEE C=CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1626436988 BGBKZDDFNSTPHR-ZIAGYGMSSA-N 402.538 1.341 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Cn2cc(C=O)c(-c3ccc(OC)cc3)n2)CC1 1627416747 AXEVDPCJKRVJDH-UHFFFAOYSA-N 410.430 1.677 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1630622364 PNDJMAQVYWHBMB-SFHVURJKSA-N 401.511 1.490 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)NCC)cc1)C(=O)OCC 1632067210 LZQVLTYMRBTTTG-OAHLLOKOSA-N 402.900 1.718 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](NC(=O)NC)C2)cc1OC 1632533313 TYLOTEOKJNIYLM-INIZCTEOSA-N 406.483 1.755 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCCc1ccc(C#N)cc1 1632774615 GNZQSPMMBBVWMY-INIZCTEOSA-N 409.508 1.545 30 10 HDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1636142675 RRPSUCJTMYWTPT-HXUWFJFHSA-N 408.462 1.693 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H](n1cccn1)C(F)(F)F 1637263921 WGTXTTTXPAADHP-OCCSQVGLSA-N 408.388 1.568 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C(C)C)n[nH]1 1637445255 AHFBQOCRONWNSA-CQSZACIVSA-N 418.523 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1639590935 FPMQOCBZTBPGFT-MRXNPFEDSA-N 419.478 1.838 30 10 HDEE COc1cnc([C@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nc1O 1640131836 AFXZHIKVCDWPFX-CQSZACIVSA-N 420.422 1.604 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1640585773 ZWCAGALQVHWKDT-LBPRGKRZSA-N 405.314 1.756 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)cc1B1OC(C)(C)C(C)(C)O1 1640907369 DIYONXBKSHGTBI-UHFFFAOYSA-N 411.267 1.194 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1641843464 PDDGLKHTOZADKS-MRXNPFEDSA-N 416.455 1.984 30 10 HDEE C#CC1(O)CCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 1641976455 JYEDPTBWMJBKPK-UHFFFAOYSA-N 400.294 1.351 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1643240727 AAEZBYLATQMJNA-HZPDHXFCSA-N 409.527 1.726 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC(c2cnc3ccccc3n2)C1)c1cc[nH]n1 1643888386 IVRLENJOSSGQDE-UHFFFAOYSA-N 408.418 1.263 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(CN4CCOCC4)cn3)CC2=O)cc1 1648697526 ZLQNCHDLQDDLMS-SFHVURJKSA-N 405.458 1.777 30 10 HDEE CC(C)c1ccc(-n2cc(O)c(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)n2)cc1 1648790807 VVFGMOUQLSLCBP-UHFFFAOYSA-N 420.429 1.532 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ncc(-c3ccccc3C)s2)CC1 1659621846 ZKBKQJVVVJRPQD-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE N#Cc1ccccc1N1CCCN(S(=O)(=O)c2[nH]cnc2Br)CC1 1667041000 FHJSNTQARZZISO-UHFFFAOYSA-N 410.297 1.945 30 10 HDEE CC#CCN(C)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1672849252 NJLAJLDPGOVYQC-OAHLLOKOSA-N 407.492 1.747 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)NCc2nc(C#N)cs2)C1 1676393433 VAYNVMZCDGPCGV-AWEZNQCLSA-N 409.512 1.918 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCCS(=O)(=O)C2CCOCC2)CC1 1681278696 HIPHISBRNYZVJO-UHFFFAOYSA-N 420.535 1.420 30 10 HDEE C=C[C@@](C)(CC)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1684819304 DGJYDEBWWHZMPW-XFEOJFCRSA-N 400.479 1.440 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1689991215 YLSFFIMIDDZNFF-KSZLIROESA-N 420.535 1.492 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1690015840 YYUYGSKFKCYACZ-MAUKXSAKSA-N 419.485 1.682 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1690025340 MWAMCHPQCTXHMT-UHFFFAOYSA-N 404.455 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H]1COCCO1 1690034836 TVAWEJPGXOYDLB-WIYYLYMNSA-N 402.495 1.199 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1694995920 LQFKKGPTXAEXSS-RMLGOWPTSA-N 412.491 1.019 30 10 HDEE CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N(C)C[C@@H](C)C#N)CC1 1695901909 BIZMQGOSXKAIFX-SFHVURJKSA-N 416.574 1.024 30 10 HDEE CNC(=O)c1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1696929274 VNVXHCBMUMSESF-ZZEZOPTASA-N 423.477 1.109 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1CCN(C(C)=O)CC1 1698062416 BCUZLYNDAGLIMS-GOSISDBHSA-N 404.515 1.755 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC2CC2)C1 1698485988 FUUDXCVIMMTBIE-HXUWFJFHSA-N 416.432 1.964 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1705566847 RDAUZAVUFSWZRB-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1705630884 KDDAAYBMOFDTLI-IERDGZPVSA-N 418.469 1.622 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1705634702 GKWUEUVHIXTKFV-RXVVDRJESA-N 401.511 1.031 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCCC[C@@H]2C1 1705686348 WMGOQQQHMFCOOE-ZIAGYGMSSA-N 409.332 1.812 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1705815324 RYYHAEFGMCZGKK-GOSISDBHSA-N 413.478 1.634 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705819580 OUTJUUDHJOVPPW-INIZCTEOSA-N 423.583 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705937131 JPSILSXWNWXVBF-WBVHZDCISA-N 405.524 1.072 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705939842 OAZIOWKFSROYKP-IBGZPJMESA-N 420.539 1.464 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)C1 1706932153 CMTWKMPKPPTHQJ-FQEVSTJZSA-N 415.498 1.486 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709301123 XVCYXSFBGSKUEH-YKHTYXQRSA-N 400.483 1.545 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1710447546 GRXGJRDJOGCMAA-GOSISDBHSA-N 412.441 1.051 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1722285928 ADEMNKYXSNBVDV-KSFYIVLOSA-N 413.522 1.877 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1722293299 LVUAIUDFYZZLGD-OAHLLOKOSA-N 421.505 1.659 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1722346507 RLRMEWRKVHTUDI-SANMLTNESA-N 406.533 1.329 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1722373457 INOYMVZOMRLGCJ-QFIPXVFZSA-N 413.522 1.452 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)c1 1722379355 PHKMEKGEKLCAGD-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1722522559 WHQHGOWEAMXHMI-SFHVURJKSA-N 423.521 1.566 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1722544073 VNGGUOCXVALNIE-GFCCVEGCSA-N 421.951 1.476 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722677647 KTFVKKIRAFXOLR-QGZVFWFLSA-N 420.539 1.403 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1722697598 NCMGGJOOXZTQFN-UHFFFAOYSA-N 412.454 1.088 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCCS2(=O)=O)C1 1722718679 UFVKRQHOAFGYNV-INIZCTEOSA-N 421.523 1.663 30 10 HDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1726584784 GPAOGIWJINCAAN-SJLPKXTDSA-N 423.521 1.525 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1729414696 DXIQLVYCZJZJHH-RBUKOAKNSA-N 424.505 1.559 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1731185957 NMBXHBLQWJZUKG-MOPGFXCFSA-N 402.543 1.759 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCCOC)c1 1740561719 BBYDZNIJDPDZTA-SFHVURJKSA-N 424.505 1.712 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1740577151 UKKMGMSAQYGCHW-UHFFFAOYSA-N 400.483 1.283 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1740650620 HOXCXPWIJQJWIQ-HXOBKFHXSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn2ccccc12 1740657151 QVUXYFLBSICYAS-KRWDZBQOSA-N 422.514 1.339 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1740664152 GJQVUMDSUUQNLA-UHFFFAOYSA-N 401.272 1.739 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(F)cc(OC)c2)CC1 1740695122 FPFWIRQPWSTLJM-UHFFFAOYSA-N 409.469 1.630 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)CC1 1740696862 IVYBZJLYLOIHGB-FQEVSTJZSA-N 422.577 1.865 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1740898976 BXSLDDLCRBBZDH-HNNXBMFYSA-N 424.548 1.276 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1747704273 DTOAUBHVNAPDJU-QGZVFWFLSA-N 410.478 1.279 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1748887516 BMRSKGKTKFPIEN-MRXNPFEDSA-N 414.510 1.559 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1748946896 SRDBXXCSCGIUOO-UHFFFAOYSA-N 422.468 1.356 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@]2(C)CN(C)C2=O)n1 1748970463 FJDZAYBALFTIFK-NRFANRHFSA-N 413.526 1.363 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1749199395 ODABSVDGFHVJSU-ZDUSSCGKSA-N 414.432 1.481 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCCC(C)(C)C1 1749597884 PALUIYKRDDGCKZ-QGZVFWFLSA-N 404.559 1.990 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749738591 RELTUEITULNOIC-HDICACEKSA-N 418.519 1.226 30 10 HDEE COCCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750033663 KUSNHBMIASQWKK-HKUYNNGSSA-N 413.478 1.584 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccoc1 1750954329 PMAOPYACFGMIHZ-UHFFFAOYSA-N 407.434 1.593 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1751170822 FCPHPXDNCIGSDV-JLTOFOAXSA-N 417.535 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CN2CCOCC2)c1 1760170269 WPKYKUCHBRXPEH-UHFFFAOYSA-N 405.506 1.629 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1760232150 UUQRWKWSCLJOTM-SFHVURJKSA-N 410.526 1.137 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760316199 NPDMBJDTEMTNMJ-ULQDDVLXSA-N 402.499 1.334 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1760412062 HPAJRBDYYVDRLR-CVEARBPZSA-N 412.556 1.634 30 10 HDEE C=CCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1760444825 RMURJSKUYZDENA-HXUWFJFHSA-N 405.499 1.975 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC1CCCCC1 1763112422 MKYAGTVYKCBEME-UHFFFAOYSA-N 422.537 1.883 30 10 HDEE CCN(CC)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1766690538 BCFVCFSEIDSJQS-UHFFFAOYSA-N 417.558 1.612 30 10 HDEE CN(C)C(=O)CCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768439286 IIRXROXIOPUGOG-AEFFLSMTSA-N 415.542 1.217 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1769586168 GCZACQPKJZSTRU-WBVHZDCISA-N 412.494 1.855 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)COCCO1 1769843223 BRKQTPLOTHNRKI-FQEVSTJZSA-N 400.483 1.821 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CC[C@@](OS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)(C2)[C@H]1N 1772502508 WSWIXQJVPSZGFH-KSRGWACSSA-N 413.536 1.787 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1772788228 YHJXSRQVDFCQJZ-KRWDZBQOSA-N 410.382 1.778 30 10 HDEE Cc1[nH]c(C(=O)N2CCCN(CC(=O)N(C)C)CC2)c(C#N)c1C(=O)c1ccccc1 1851533737 RDVNAJUKYXWDSO-UHFFFAOYSA-N 421.501 1.662 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3ccccc3S(=O)(=O)C(F)F)CO2)nc1 1852588509 IIFNLZKPLFKHBH-GFCCVEGCSA-N 409.370 1.927 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCNC(=O)c2ccc(-n3cccn3)cc2Cl)CC1=O 1852820870 WTKACDXRRNAABN-AWEZNQCLSA-N 416.865 1.833 30 10 HDEE C#CCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1852838781 OFIYVHOLRZCUQE-UHFFFAOYSA-N 412.533 1.202 30 10 HDEE Cc1cccn2cc(CC(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nc12 1853159747 SZPRVIOJIIZQBT-UHFFFAOYSA-N 404.474 1.817 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC(S(=O)(=O)c3ccccc3)CC2)C1=O 1853998706 ZMZORTJLLCVFGS-GOSISDBHSA-N 403.504 1.746 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855322797 XKXMWXWLCOKFMA-SFHVURJKSA-N 405.520 1.742 30 10 HDEE CC(C)CS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855619975 ACGSGNVHLATOEJ-QGZVFWFLSA-N 418.519 1.640 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2c(F)cccc2Cl)CCN1S(=O)(=O)CC#N 1856047444 KPOGYVZFUVNTHV-UHFFFAOYSA-N 415.874 1.714 30 10 HDEE CC(=O)N1CCC[C@@H]1CN1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C1(C)C 1856049490 IEIUEDQSGCGXJE-HXUWFJFHSA-N 410.518 1.951 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccnc3)C2)CC1=O 1856400488 LXBSFEGLCXPCCP-IAGOWNOFSA-N 420.535 1.118 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O)[C@@H]1CCN(C)C1=O 1856725052 FNPGDXVJTCZSGW-VQTJNVASSA-N 408.502 1.727 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CC[C@H](Cc3nc(-c4ccncc4)no3)C2)C1=O 1856909021 UHXYFUIYKUQBLW-NVXWUHKLSA-N 408.462 1.817 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)ccn1 1857439147 GIMJOFHGCORRPG-DLBZAZTESA-N 410.409 1.167 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1858403691 SPFQWZXWMYHWFD-HNNXBMFYSA-N 413.455 1.979 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868598471 LBOMPJVAZXMBIH-PKOBYXMFSA-N 422.522 1.878 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CSc2nccn2C)cc1=O 1870302446 QQJTWDQWXKDWDG-UHFFFAOYSA-N 418.500 1.582 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C(F)(F)F)cc(OC)c1OC 1874459999 KTFWRSXIGWREDQ-CGOBSMCZSA-N 419.385 1.782 30 10 HDEE C[C@H](C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)CC1 1957294158 KNJCTRXFPJMUQZ-CYBMUJFWSA-N 418.516 1.933 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1990026090 XYVOJLISTAPKRQ-MCIONIFRSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010394377 CEYGFAPCECJQEK-QPSCCSFWSA-N 422.331 1.907 30 10 HDEE NCC#Cc1cccc(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)n1 2089789237 URWUXWKCPZCRNK-UHFFFAOYSA-N 412.471 1.210 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2118165673 DLOQHZVWMSSTBD-LLVKDONJSA-N 400.423 1.512 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N[C@@H](CCS)C(=O)O)C1(C)C 2180235635 GCLDFEQVELZVKD-VNBZBWLYSA-N 404.529 1.974 30 10 HDEE COC1CN(S(=O)(=O)N[C@H](C)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2186639154 YGOGJKCBEFQVDV-LLVKDONJSA-N 402.347 1.273 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247822368 DGXRPDDCEFQFKH-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247919300 PZFSTPPWKLKTPD-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 2255653272 GRHWNPDCQVPRJD-IRXDYDNUSA-N 422.338 1.580 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NC1C[C@@H]2CSC[C@H](C1)C2=NO 2258070327 DOPHBDPDWYPXFZ-FUNVUKJBSA-N 423.516 1.174 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2267468573 LLBBLRLHFXUHIN-JNDILOIQSA-N 407.388 1.483 30 10 HDEE Cc1cc(S(=O)(=O)N2CC([S@@](C)=O)C2)sc1B1OC(C)(C)C(C)(C)O1 2267707058 KIDMMBMXCVETHJ-XMMPIXPASA-N 405.372 1.107 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@H]1CCCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2270527908 NALHZRNBRXLDLH-IKGGRYGDSA-N 423.491 1.456 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)C[C@@]3(C)CO)sc2Cl)OC1(C)C 2281971411 HVCUTCRWSPWXKA-BTDLBPIBSA-N 401.721 1.659 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](C)C1 2282321830 BWRINNDTPNLSRN-WCQYABFASA-N 401.359 1.747 30 10 HDEE CCN(C)[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282329170 IZEKTNCLGVUXQO-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE C[C@H]1CC[C@@H](CO)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282353909 ZKAZNKSOWTURNK-STQMWFEESA-N 401.359 1.829 30 10 HDEE CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282423494 PLWHAPPSRONVCP-CQSZACIVSA-N 400.375 1.762 30 10 HDEE COCC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCC1 2282493487 UGDQELJWVXBKHQ-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCC[C@@H]2O)OC1(C)C 2282502263 IPTBPTSUKJLWOO-KGLIPLIRSA-N 401.359 1.770 30 10 HDEE CC[C@@H]1CNCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506995 AFMYOTLHKKRUIA-CQSZACIVSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCNC[C@H]3C(=O)O)c2Cl)OC1(C)C 2282638224 KDCRZEBLFCQRKJ-JTQLQIEISA-N 400.693 1.199 30 10 HDEE CON(C)C1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282825788 MZBVOCVXBVRDBX-UHFFFAOYSA-N 402.347 1.222 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1OCC[C@H]1F 2282831779 DRBDHDAPUMEQLB-NEPJUHHUSA-N 405.322 1.761 30 10 HDEE CS[C@@H]1CCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837993 YYGUVVKBSGSXFD-CHWSQXEVSA-N 401.363 1.282 30 10 HDEE CN(C)C(=O)CCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850120 LHZLMMHKRHDISN-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CN1CCC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282854455 RPRYAYJWPFMDND-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CCCN1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282858603 ZMTPCWSLYQVCPK-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC(C)[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282865211 QUWNCPCQSJNPTE-CHWSQXEVSA-N 401.359 1.997 30 10 HDEE CN(CC(C)(C)CN)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870402 RLFPJIULUAEAGC-UHFFFAOYSA-N 402.391 1.794 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H](O)CCC(=O)O)c2Cl)OC1(C)C 2284368075 PJWVPPXIIYYNGT-VIFPVBQESA-N 403.693 1.656 30 10 HDEE CN(CC(C)(C)C(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284416033 SSMIABYJWDMUHZ-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE CC(C)(C#C[C@H](N)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317408406 OHJJAEYFKNNTNV-PXNSSMCTSA-N 408.520 1.304 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccccc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c2ccccc2)CC1 2372517758 CRMQKAWWODLRTA-QUENFVSXSA-N 418.490 1.928 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H](C)n2c(N)nnc2SCC#N)oc(C)c1C(C)=O 40173554 ICNOQHBEEBROTO-QMMMGPOBSA-N 420.451 1.956 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(SC)ccc21 44361401 RDCMLXOOEYYMKD-YWMAMYRUSA-N 409.558 1.909 30 10 HDEE C=C(C)COc1ccccc1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OCC(C)C 66229026 DGPTTYQFHWTWHC-GOSISDBHSA-N 417.506 1.970 30 10 HDEE CC(C)NC(=O)CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253566393 IWETUQKJGCRXSJ-GIDUJCDVSA-N 408.400 1.684 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409499645 KRUVAWDOGKJDIW-RYRKJORJSA-N 407.492 1.097 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 443329045 LAQUBLHFONWZTG-UHFFFAOYSA-N 422.482 1.651 30 10 HDEE CC(=O)N[C@H](CC1CCC1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492238595 FWSLAXHNJBEVNS-GOSISDBHSA-N 418.519 1.086 30 10 HDEE Cc1ccn2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2c1 500983026 NMXXORWEPVDJSF-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c1 505009332 RCIXOSWMEOYFFI-OAHLLOKOSA-N 420.535 1.995 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 520278124 GCYILYWIPBJPQL-SFHVURJKSA-N 406.442 1.463 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 520899393 GKRVNJWCGIUGOL-UHFFFAOYSA-N 420.535 1.518 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)cs1 523652378 SSIRMRZDCAPOBU-OAHLLOKOSA-N 415.540 1.726 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](Cc2cccc(Br)c2)C(=O)O)cn1 527322231 QHTREFYHNAJPBU-CQSZACIVSA-N 410.249 1.690 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCOC1 533085989 MTHCBIWJRRGENG-OAHLLOKOSA-N 412.486 1.958 30 10 HDEE CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 538016100 ZKOOFPVRLABFMV-UHFFFAOYSA-N 407.517 1.584 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545462788 IIECQNQTDHUVDI-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE Cc1cc(C(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)nn1-c1cccc(C#N)c1 546736017 DJLOBDCLKFBFEY-UHFFFAOYSA-N 413.503 1.739 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3=O)CC2)n1 546879938 CQNWAMNXRKJJJM-LJQANCHMSA-N 404.474 1.586 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 549522744 UFVALKQWIKIFFR-UYAOXDASSA-N 420.579 1.984 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 549657795 KFOHAXAKBUETHH-KBXCAEBGSA-N 413.544 1.239 30 10 HDEE N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 549753502 UWECSKPMVBMUTM-INIZCTEOSA-N 410.405 1.432 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3cn(Cc4ccccc4)nn3)CC2)c1C#N 554952563 YTVWDJCKHZVJBF-UHFFFAOYSA-N 405.466 1.594 30 10 HDEE Cn1cc2c(n1)CCC[C@@H]2NC(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 555283623 VDXHDRLVPLKFKQ-HNNXBMFYSA-N 407.409 1.749 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 568772934 BVVXURKBQNMJBW-ZIAGYGMSSA-N 413.544 1.632 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 575205918 ZKYSNXAOPHOGEG-HOCLYGCPSA-N 406.508 1.132 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 583775709 ZTDWLLSYYGOHOA-JYBIWHBTSA-N 411.458 1.086 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4nc5c(cc4C#N)COCC5)C3)n2)n1 585605386 DJULFUXAMZTASZ-UHFFFAOYSA-N 417.473 1.522 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCCC[C@H]3CN3CCOCC3)CC2)nc1 610401873 IIPZDPPZJWGXFM-FQEVSTJZSA-N 412.538 1.818 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC1 611091504 OQUCXNKRMNBJLD-KRWDZBQOSA-N 404.536 1.285 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669804417 QNHRLSPQKDPPOF-UHFFFAOYSA-N 404.540 1.292 30 10 HDEE C#CCN(C(=O)[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 729335359 MINMXXKJJKTZJU-YPMHNXCESA-N 400.840 1.664 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(C#N)cc3F)cnc21 729833012 ZAQMUGGWZJBIBD-UHFFFAOYSA-N 419.214 1.220 30 10 HDEE C#CCN(CCC(=O)Nc1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 731212613 GUPMSKHHDPOTRF-GOSISDBHSA-N 403.504 1.264 30 10 HDEE C#CCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 731212867 NQHVZRUGGIHRFY-AWEZNQCLSA-N 404.410 1.324 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCN1C1CC1 737198305 OBIPIZBJRXEGEM-IBGZPJMESA-N 412.490 1.629 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)c1 742346025 CWUNRNWZAKRNRW-JTDSTZFVSA-N 400.504 1.448 30 10 HDEE CC(C)(C)OC(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 746036812 GEDZWJOHKQXZGI-QGZVFWFLSA-N 412.490 1.708 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c1 751674885 GXPYYFWZTDLLFU-CQSZACIVSA-N 405.457 1.568 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)C1=O 761725376 BEKBTQKCMKXXOD-FIKGOQFSSA-N 411.462 1.362 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CCO)CCC1 771737443 JPPIEWGFCZUDRD-MRXNPFEDSA-N 407.536 1.809 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 780214413 AXJVUNFUMANOQX-GOSISDBHSA-N 403.341 1.168 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@H](O)c2ccc(C#N)cc2)c1 781014180 ICFIDLBMMGLVAZ-GOSISDBHSA-N 403.460 1.966 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](N2CCCS2(=O)=O)C1 788387242 NFVKLUHNBANLKJ-SFHVURJKSA-N 400.508 1.583 30 10 HDEE C[C@H]1C(=O)NCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 788551697 SNSOKQPLRACREK-AWEZNQCLSA-N 406.508 1.023 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)n1 788579378 YWQNMHVLGJULTK-UHFFFAOYSA-N 413.478 1.907 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C=C\c2ccc(NS(C)(=O)=O)cc2)n1 788813808 JQICNKXWHGKVGV-YFHOEESVSA-N 416.503 1.576 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O 800901568 VAYRTNWXMXZJCN-LBPRGKRZSA-N 401.893 1.280 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@@H](C(F)F)C2)c(C#N)cn1CCOC 801708440 FUKBSMBGKGVTIU-GFCCVEGCSA-N 400.382 1.681 30 10 HDEE COCN1C(=O)CCc2cc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)ccc21 801781694 BLMQRHCIFLUDKZ-HNENSFHCSA-N 413.434 1.218 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)cc1C#N 803366413 RQWOGASULSVLND-UHFFFAOYSA-N 415.471 1.163 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809886551 IGZLACCHJYMRHQ-LAUBAEHRSA-N 416.547 1.897 30 10 HDEE CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 809973733 ZDXKRSTXNJAJPV-HXUWFJFHSA-N 422.526 1.604 30 10 HDEE C[C@H](CC(=O)N[C@H]1COc2ccc(F)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 811568116 JLFLVZQUJCIEOC-IUODEOHRSA-N 417.462 1.763 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812354983 QQPBJWAHZGCQBA-OAHLLOKOSA-N 409.537 1.180 30 10 HDEE C=C1[C@@H](C(=O)NCc2ccc3c(c2)OCO3)[C@@H]1C(=O)NCc1ccc2c(c1)OCO2 864780399 SXTWLMSWQBKDBB-WOJBJXKFSA-N 408.410 1.879 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(-n2ccnc2)c1 921207095 WQDZGBRERIVJML-UHFFFAOYSA-N 424.486 1.402 30 10 HDEE CC(C)C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCNC1=O 1125136599 JEPQVDQYRSVEEE-MCIDSYJDSA-N 420.535 1.990 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1129189172 OSDNJTZREWLZMY-HUUCEWRRSA-N 401.529 1.857 30 10 HDEE CSc1nc(O)c(C(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1C#N 1131123239 YKUDLATYVDZMBU-NXEZZACHSA-N 409.411 1.428 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1136592592 DIELPOIIEBUUMY-LJQANCHMSA-N 412.490 1.907 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)c1ccc(Br)cc1 1141460722 FFLOYTRJAARIIT-LSDHHAIUSA-N 408.296 1.646 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1141770371 OZGSQJHRFAFPJS-LQWHRVPQSA-N 402.491 1.958 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)CC1 1150001073 UHDGYEPNXVVNCP-UHFFFAOYSA-N 424.530 1.880 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)CC1 1152967858 SJKCYVRVPUVKPJ-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccn3)[C@@H](C)C2)cc1 1159983599 MDUTXDWMOWKRJS-HNNXBMFYSA-N 401.492 1.292 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@]23CCCC[C@]2(COC3)C1 1168015529 JNBSPQIFAYZAID-CWFSZBLJSA-N 403.504 1.644 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)CC1 1177021759 FSBPWSYOOLCTSN-CVDCTZTESA-N 418.582 1.781 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCO[C@@](C)(C#N)C3)nn2)CC1 1179393891 MFBVBFXTEVLWRT-QRWLVFNGSA-N 418.498 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196643555 JMLGDZATWFUJSJ-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE Cc1nsc(N2CCN(Cc3ccc(S(N)(=O)=O)c(Cl)c3)CC2)c1C#N 1206063033 IFQBGNYDLPZRSB-UHFFFAOYSA-N 411.940 1.946 30 10 HDEE Cn1c(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nc2cccc(Cl)c21 1226536521 BTPDDOAAQFPIBN-UHFFFAOYSA-N 413.825 1.127 30 10 HDEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn2cnc(C#N)n2)c1 1271805995 GZSBFTITKXIVFG-INIZCTEOSA-N 414.466 1.411 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1286274955 OXGBYQSVNUSIOJ-LLVKDONJSA-N 403.288 1.681 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1286372136 OEJMLGPEWKWRRY-MRXNPFEDSA-N 413.478 1.567 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@]2(CCOC2)O1 1286451812 BVQRWAICKUMXSQ-TWFHAPMSSA-N 404.511 1.800 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2cnn(C)c2C)CC1 1286483831 ZZLZTQOUXFQNAO-UHFFFAOYSA-N 403.534 1.909 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1286546150 GRKYGUVKPLCNSN-HZPDHXFCSA-N 420.514 1.286 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286712243 UVSGLFSXRKCWIY-KSZLIROESA-N 423.583 1.446 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1286727679 XFAFHAMBJGUENH-ZDUSSCGKSA-N 411.915 1.930 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(F)c2C1 1286786589 UYSIRKWYGZNWJD-MRXNPFEDSA-N 416.432 1.372 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C)o1 1286793423 DSOMSMCMBYIHQZ-YJBOKZPZSA-N 403.483 1.842 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1ccoc1C 1286818398 IAZHHCIGBQDCQS-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN2CCCC[C@H]2C1 1286820541 MZOHPHYUKPSHNM-IRXDYDNUSA-N 409.556 1.057 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCN(C)C 1290863949 NZPRVGOMHISQOS-UHFFFAOYSA-N 401.490 1.502 30 10 HDEE CCc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1293182751 XZDWNGMZOPQGML-ZGTROFRASA-N 418.408 1.887 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)CCC2=O)cn1 1294976276 MVHPIMVJFKHSAE-HNNXBMFYSA-N 422.489 1.635 30 10 HDEE CCN(CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1295375083 YWZOBXWPMYMWTE-CABCVRRESA-N 415.498 1.465 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 1298587449 ZJCKQOAGISQWHE-ZDUSSCGKSA-N 422.890 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300575569 ZEWVQVUEIHJAIG-LJQANCHMSA-N 420.517 1.606 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1300755520 VFPXMJSAUMQHMU-QGZVFWFLSA-N 414.535 1.467 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300996163 AMPVVOLUUVAVJU-UHFFFAOYSA-N 418.542 1.398 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2ccccc2F)CC1 1301079476 GZJFPLCFCBYNKV-KRWDZBQOSA-N 412.469 1.955 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1301309392 QTROOEKFDCEIJM-LJQANCHMSA-N 422.507 1.038 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)Cc1cnn(C)c1 1301520943 UTSUERNLOGSESL-SJLPKXTDSA-N 415.542 1.869 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCOC[C@H]2OC)C1 1301553717 RJPMUWPMDWOQOA-KBAYOESNSA-N 402.499 1.511 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1302475066 QJTSVSZDGBLLQW-UHFFFAOYSA-N 404.496 1.530 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CC1 1303026530 OCRSHZNYZHQQJN-UHFFFAOYSA-N 414.911 1.255 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@H](O)C1 1303822909 GUVMKJOEKONVFE-NUEKZKHPSA-N 410.544 1.179 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCC[C@H]1C#N 1307994876 YLVWJXUKRLODTO-RBUKOAKNSA-N 404.536 1.285 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)c1 1315550116 SHTAYMJCUDEUIW-BBRMVZONSA-N 411.466 1.538 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCOC2)C1 1316532640 RYHIHGSVGHLERN-RTBURBONSA-N 407.396 1.740 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CCN1C1CC1 1316540009 SNLODKZOWYHBLH-ZBFHGGJFSA-N 410.469 1.978 30 10 HDEE CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1318544702 DQYUYIRVWCNEOT-HYEKCJMVSA-N 405.499 1.097 30 10 HDEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)ncc1C#N 1356310491 AHNYBMAQBQHSCR-UHFFFAOYSA-N 403.464 1.403 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)nc1 1357209440 GOLIZFRSCDHZQC-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 1357483208 DIXMXEJKGUSWME-FXBPSFAMSA-N 402.480 1.919 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1358881287 CAQRNZYTBMKXHT-RLBWVDARSA-N 415.457 1.801 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCOC(C)C 1358994375 LQYRYQCJYVPWLR-GOSISDBHSA-N 406.552 1.848 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1359013393 WYWURPRQFFRZLZ-UHFFFAOYSA-N 402.524 1.501 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCC(=O)N(CC)CC)CC1 1359033722 NIHUQEZZAWFLSZ-UHFFFAOYSA-N 409.538 1.744 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359136399 HYNQOSGTRILAEN-TWOQFEAHSA-N 422.482 1.637 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccn2)CC1 1359154091 CWNPVQVPVYMGIG-UHFFFAOYSA-N 402.890 1.270 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359230043 COFWNMVCLNVAQO-NTDBWNAOSA-N 419.526 1.310 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1359277208 FNOOWVWLSHZGRA-SJORKVTESA-N 401.467 1.473 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)OC(C)(C)C)C1 1359320789 VPNWJUWDTHVETQ-LSDHHAIUSA-N 420.514 1.535 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1360206683 DRSWWYSGPNXCPH-GOSISDBHSA-N 409.466 1.383 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 1450426690 GNMSIEHNVYPJRC-UYAOXDASSA-N 417.462 1.163 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C2(C#N)CC3(CC3)C2)C1 1455596294 KHVAREAFHHIMSV-AWEZNQCLSA-N 411.524 1.611 30 10 HDEE C#CCN(CC(=O)NCCNS(=O)(=O)Cc1ccccc1)C(=O)OC(C)(C)C 1455874649 ZCVBXLHNVVGZPV-UHFFFAOYSA-N 409.508 1.093 30 10 HDEE C#CCN(C(=O)c1ccc2cncc(Br)c2n1)[C@@H]1CCS(=O)(=O)C1 1456083740 ISBPTNJYTQHCLH-GFCCVEGCSA-N 408.277 1.655 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2cccs2)C(C)(C)C)c(=O)n1CCO 1459244766 XTHBTRVDFCWFJI-INIZCTEOSA-N 404.492 1.148 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)c2nc(O)c(C#N)cc2C)s1 1463934616 HEMPZTQHSCVAQT-UHFFFAOYSA-N 408.505 1.989 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)C[C@@H](O)C(F)(F)F)c1 1463973500 IHTBFPYCIAQGIN-CQSZACIVSA-N 410.414 1.163 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 1467878621 FVDMKPNGGUXFAX-HNENSFHCSA-N 400.366 1.334 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)Oc1ccc(Br)cc1 1467918847 FYYPGTJPSYYZIT-RHSMWYFYSA-N 411.252 1.806 30 10 HDEE C=C[C@H](COC)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1469894041 DYSBERRMCVBERP-LJQANCHMSA-N 402.539 1.858 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC(Nc3ccccc3C#N)CC2)[C@H]1c1cccnc1 1470614651 AVNJJGJDDVSVNM-YADHBBJMSA-N 419.485 1.955 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3F)CCO2)cc1 1472148941 NCCOPXQXLJDIBB-KRWDZBQOSA-N 403.435 1.576 30 10 HDEE CC(C)OCCCNC(=O)C1CCN(Cc2cc(O)n3ncc(C#N)c3n2)CC1 1473107081 HCRRXGKYOADSEE-UHFFFAOYSA-N 400.483 1.450 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1492588680 FZGSZNUFCLNDEP-UHFFFAOYSA-N 411.487 1.925 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)OC)c1 1507550402 KNMLHCJJRNPXHK-MSOLQXFVSA-N 424.505 1.710 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1507652720 KWFJWHRGEKIWJU-YRVHBCJASA-N 409.515 1.229 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1507680569 IWJGYBYQAJPWAZ-UHFFFAOYSA-N 423.477 1.633 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1507710762 KLCVNOKTBOIGSF-LSDHHAIUSA-N 423.564 1.526 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2csc(C)c2)CC1 1507721637 KPUCAIFAGRYNSM-OAHLLOKOSA-N 422.580 1.062 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507855056 RALLGYPAEREODP-BHYGNILZSA-N 413.950 1.912 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@H](C)C#N 1508086910 ABFYODFXZTVCCJ-MRXNPFEDSA-N 423.525 1.350 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508122406 ILROTDLFXWDXEP-RCCFBDPRSA-N 424.567 1.778 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1509002141 TWFOYIRXCDUJHS-ZWKOTPCHSA-N 411.510 1.535 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1511976841 KZXAMMLSTJSFNJ-LPHOPBHVSA-N 422.489 1.741 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1514022611 LBBJMSHWXDZPJZ-PVHMMBIOSA-N 422.493 1.886 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1515990024 FTBZUIONIXKPAS-KRWDZBQOSA-N 424.553 1.025 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1518765206 MAWHFUIFBMTFTQ-SJLPKXTDSA-N 419.457 1.565 30 10 HDEE CSC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1519973707 NCCUJSQJGQOSOC-IRXDYDNUSA-N 420.583 1.728 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1521062671 HAGPAENJXQGXIH-KXBFYZLASA-N 421.473 1.885 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H]2COCCO2)c1 1521075037 GVDBYEQSRCZFQH-LJQANCHMSA-N 424.505 1.714 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCCO)CCO1 1521129075 IMNLTRAEJBAPKT-KRWDZBQOSA-N 413.478 1.998 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCNC2=O)c1 1525957140 WUKVNSIOJLWOIT-PFKVCDDJSA-N 406.508 1.744 30 10 HDEE COc1cc(N2C[C@@H](C(=O)N3CCO[C@](C)(C#N)C3)CC2=O)cc(OC)c1OC 1536619251 MWAFUTGOADOCMF-RNODOKPDSA-N 403.435 1.206 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1537430555 IUOTXYLVYWKPAZ-GOSISDBHSA-N 402.447 1.951 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539125100 WGUITOOABDWXSM-GOSISDBHSA-N 419.526 1.939 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1539175004 PRVXMDDPBGWQBG-SFHVURJKSA-N 408.506 1.492 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1539179551 PSQRZCHSAUWSDK-QZTJIDSGSA-N 401.536 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)COCCO1 1539251715 OEJMJGVAAZGWIK-JOCHJYFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539405697 JAGYAQGPEKTOFH-HSZRJFAPSA-N 418.501 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539444733 TXMZKYPCBOPGII-IBGZPJMESA-N 411.554 1.529 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)nc1OC 1539534051 XROSZXYMLQLJQC-JOCHJYFZSA-N 424.505 1.967 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1539612660 PIOGIJUJWWCQRU-DLBZAZTESA-N 419.526 1.787 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539699727 BAPGSDCJUJOZPN-ZDUSSCGKSA-N 402.455 1.859 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540033434 IKORSZOXBVQWND-CYBMUJFWSA-N 417.432 1.716 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1cc(S(C)(=O)=O)c(OC)cc1N 1540655664 SRUMUGQNRZYZAV-UHFFFAOYSA-N 403.460 1.849 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1544117100 NQDIGAJOLLLJAG-LIRRHRJNSA-N 405.503 1.424 30 10 HDEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)cc1 1554969180 QPYAHQQKOYHPNV-YCRPNKLZSA-N 412.494 1.940 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Br)cc2)CC1)C(=O)OC 1556970076 MDVNODYURIBPJJ-INIZCTEOSA-N 421.291 1.982 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(c2ccc3c(c2)OCCO3)CC1)c1cc[nH]n1 1558546108 MRZXXGFWMYDHKA-UHFFFAOYSA-N 414.418 1.270 30 10 HDEE C/C(=C\C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1OC(F)F 1558806707 YRSAELPISLNMPL-IZZDOVSWSA-N 402.357 1.909 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2cccc(Oc3ccccc3)c2)c1=O 1559440123 DCDMHOQHHACSFT-UHFFFAOYSA-N 406.398 1.305 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 1565086380 QFVUPAMTGJHVLL-UHFFFAOYSA-N 400.545 1.542 30 10 HDEE COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@@H]1C 1566978393 FJRBWEQFDMDARB-INIZCTEOSA-N 421.519 1.473 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N(CCC#N)CCN2CCOCC2)C1 1583777658 NTRYITHIJFYVKV-CSODHUTKSA-N 406.527 1.754 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3c(cccc3C(N)=O)C2)ccc1F 1585632474 GBZWEWYNIGFIJV-UHFFFAOYSA-N 417.462 1.587 30 10 HDEE CN1CCC[C@H](N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 1586063340 GZFWYPUSAFAPAK-FQEVSTJZSA-N 418.582 1.875 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1587861060 GQIPUGDPIFHOTL-NVXWUHKLSA-N 402.524 1.669 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1587965806 SXKYYCSSMJGSIJ-UHFFFAOYSA-N 407.478 1.664 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1588050628 UBXUICFJTWKMLC-INIZCTEOSA-N 405.524 1.717 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588058960 GGGJGTKGBNKWRF-KZNAEPCWSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]1c1ccccc1 1588083800 KBDXZZCBJBUFMJ-NEWSRXKRSA-N 411.531 1.765 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)NC 1588550385 PGHDJZKJCPCEPF-INIZCTEOSA-N 421.498 1.110 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1589069559 LPDOEKDNOONTQI-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595421292 AGKUUGSNHZBWGX-INIZCTEOSA-N 415.523 1.586 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1595555636 GASHLKNYILZTAO-UHFFFAOYSA-N 411.510 1.013 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2NC(=O)CC2(C)C)C1 1595664629 IATDGHDIDANJGU-LSDHHAIUSA-N 404.515 1.112 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](OC)C1 1595812139 ODQIRKSFOVLTKM-HNNXBMFYSA-N 411.553 1.460 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)c3nnc4c(=O)[nH]ccn34)n[nH]2)c1C 1595935335 XTYZKEJMECZQLC-NSHDSACASA-N 407.438 1.298 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)C1(O)CN(C(=O)OCc3ccccc3)C1)C2 1603038900 KQSPBQHERHHRFA-UHFFFAOYSA-N 412.471 1.470 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCc1ccco1 1608475233 ZSSILBYOAVUFHI-HXUWFJFHSA-N 413.482 1.456 30 10 HDEE C=CCn1cc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc3oc(O)nc3c2)nn1 1611584842 WOHXWPWWJPPZMN-LBPRGKRZSA-N 416.463 1.801 30 10 HDEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618171651 GOLZNLCHHKYESM-ZRGWGRIASA-N 421.544 1.452 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1618589409 LDEKSQLZZLGESX-LFLNWHNVSA-N 418.515 1.752 30 10 HDEE COc1ccc([C@H](CNC(=O)Cc2ccc(C#N)nc2)N2CCOCC2)cc1OC 1623895457 KDIOMCBHRPHCPT-IBGZPJMESA-N 410.474 1.703 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)c1 1624843216 XARDWMTUUWHABH-MRXNPFEDSA-N 417.462 1.942 30 10 HDEE C=CC(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1625991591 VGRNAPYFZQXZAG-UHFFFAOYSA-N 414.549 1.444 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)CCc1ccc(C#N)cc1 1626727090 AKDDQKAWFWGJJD-UHFFFAOYSA-N 416.459 1.836 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H]1CCN(O)C1=O)Cc1ccccc1 1628369992 HSMOHXCUMYVTRT-INIZCTEOSA-N 406.483 1.120 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1631824190 ADOLPSCAUMHZJQ-HUUCEWRRSA-N 403.545 1.776 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCc1cn(C(C)C)c(=O)nc1O 1632996843 FZPGLFJHHOQMDJ-UHFFFAOYSA-N 400.435 1.885 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1634525155 NPPKPXGJNMLZIK-MRXNPFEDSA-N 409.483 1.737 30 10 HDEE CC(C)N(CCOCCO)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1635093828 HLFOYXUSIVNSRI-UHFFFAOYSA-N 423.535 1.205 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C3CCOCC3)c2C)cc1 1637522069 JHNVYNQPAWJWRN-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1639839569 BMVWTQBXSMRCIB-MRXNPFEDSA-N 417.443 1.900 30 10 HDEE C#CCn1cc(CNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)cn1 1640012667 GHZYRARNCJYKAQ-UHFFFAOYSA-N 414.512 1.902 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccccc2)C2(CO)CCCCC2)C1=O 1640138444 OYQLLSRNDAZHOG-SFHVURJKSA-N 413.474 1.764 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1640924091 GZOUCDQGPONGCI-INIZCTEOSA-N 414.458 1.614 30 10 HDEE C[C@@H]1NC(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)=NN(c2ccccc2)C1=O 1641605091 HQLANVWVLFXGQZ-INIZCTEOSA-N 402.458 1.545 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3c(S)nc4ccccc4c3=O)CC2)cc1 1641605954 YJKZTSFBUANNTL-UHFFFAOYSA-N 405.483 1.906 30 10 HDEE N#CC1(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCSCC1 1641936826 LQCBDLIRFSSJRR-UHFFFAOYSA-N 422.576 1.146 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)c2c[nH]nc2I)n1 1642093689 ZMSZRDVZVWCEPJ-UHFFFAOYSA-N 405.159 1.719 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](c4nnc(N)o4)C3)CC2=O)cc1Cl 1642473158 QGIRCXBFPSVGRQ-STQMWFEESA-N 414.853 1.936 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1 1643372533 PRLRQAQKLYWITA-UONOGXRCSA-N 416.330 1.709 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](NC(=O)NC)C3)ccc2c1=O 1644555418 KPLPGNZHIMFQHO-CYBMUJFWSA-N 401.492 1.405 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1648553707 LSUOBKJUYBBZDU-OAHLLOKOSA-N 408.480 1.078 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)c1 1649195230 HEDWAZMCHXXPJM-SFHVURJKSA-N 410.499 1.618 30 10 HDEE C#CCC1(O)CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 1650951897 VCWVSGIGKIAUAT-UHFFFAOYSA-N 414.574 1.476 30 10 HDEE CSc1ccc(CNC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)cc1C#N 1651926167 DCDDCVBXWJBURM-UHFFFAOYSA-N 419.528 1.823 30 10 HDEE N#CC1(C[C@H](O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CCOCC1 1652936609 BWKKFKZWUXHUAF-DLBZAZTESA-N 413.474 1.055 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)CCC1 1655701855 VQHZZOSXPFNDTJ-PGRDOPGGSA-N 402.491 1.663 30 10 HDEE COC(=O)C1(C2(O)CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)CCC1 1656412027 ZJXQVPJZIPVPKO-GOSISDBHSA-N 402.491 1.663 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)nn1 1659681529 ASOQKXFAWISZIZ-UHFFFAOYSA-N 407.452 1.366 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)nn1 1662631930 VZBUFNIWWLMQOX-UHFFFAOYSA-N 402.230 1.613 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)cc1 1667321841 HIKXEWMTWKKGEW-IAGOWNOFSA-N 409.508 1.903 30 10 HDEE Cc1cc(NC(=O)N2CCN(c3ncccc3C(N)=O)CC2)c(C#N)cc1N(C)C 1670675233 CPKOGYVAGCEIHU-UHFFFAOYSA-N 407.478 1.781 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 1677317980 IWTNCYVRMSXUCY-HNNXBMFYSA-N 400.479 1.351 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCCNS(=O)(=O)Cc3ccon3)cc2n1 1680698526 QDWBMRBSGDKRFB-UHFFFAOYSA-N 404.452 1.451 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681300603 IFOYRMWKWXEJBS-PXNSSMCTSA-N 414.554 1.625 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC(=O)Nc4ccccc4C3)C2=O)cc1 1682021185 BKCKLDCJFUREID-IBGZPJMESA-N 403.442 1.823 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C1CCOCC1 1683404991 QBSBOBOLOXOLAJ-SJLPKXTDSA-N 405.470 1.467 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)C2CCCC2)CC1 1683449763 JLMZOQAOETZBBY-LJQANCHMSA-N 404.536 1.713 30 10 HDEE C#C[C@@H](NC(=O)N(C)C[C@H](O)CN1CCOCC1)c1ccc(Br)cc1 1683508347 QVMQJECMBDQVIN-DLBZAZTESA-N 410.312 1.458 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1 1684082404 ASRRLVBWRDNRKY-CVEARBPZSA-N 408.424 1.903 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(C)(C)O)c1)[C@@H]1CCS(=O)(=O)C1 1689991895 DQRMALQJFOHOLK-GOSISDBHSA-N 416.547 1.743 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1690001021 DTZUUAFYCHVXSK-KRWDZBQOSA-N 421.567 1.701 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1690052400 IHSBFVVSZBWPPM-VQTJNVASSA-N 410.566 1.984 30 10 HDEE C=C(Br)Cn1c(-c2ccc(C)o2)nnc1N(C)CCNS(C)(=O)=O 1690221954 DXVGRRBKLDGUIY-UHFFFAOYSA-N 418.317 1.741 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690254519 CEOMBYQLMHLHEQ-TWMKSMIVSA-N 410.540 1.734 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1690467314 SGZIAEZCPUYPLJ-UHFFFAOYSA-N 402.499 1.836 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690667348 ZYLJQGQMHTUWCE-HOTGVXAUSA-N 419.551 1.814 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690676912 IJCLWWGQLQBTRY-HXUWFJFHSA-N 402.499 1.361 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCNS(C)(=O)=O)C1 1690693602 DVPXIYFANLRWPK-OAHLLOKOSA-N 408.528 1.004 30 10 HDEE CC[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694442036 LQZGVQJEUVIXKK-YJCBXQLOSA-N 424.509 1.831 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccsc2)CCOC1 1696084570 CAMFFRBUYRARQE-QFBILLFUSA-N 403.508 1.963 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)c1 1697307126 JAYWSCZCUBMRTA-UHFFFAOYSA-N 422.445 1.802 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1698303178 GHSNCMHQJNIOOG-QGZVFWFLSA-N 418.523 1.208 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccc(O)cc2)CCO1 1698492258 DIRVHAGLUSDLNF-INIZCTEOSA-N 424.486 1.752 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C2CC2)CCO1 1698492645 DWVRYPRDYZJDFV-AWEZNQCLSA-N 418.860 1.993 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705524981 WBYRFYYCFXAGBD-IRXDYDNUSA-N 419.555 1.648 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705531125 YUXKHRAHPLNCIJ-SFHVURJKSA-N 412.515 1.994 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1705566928 RRRNGCOUZPIHFA-HUUCEWRRSA-N 418.548 1.257 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1705582723 IIOWGPYKHBCSGV-SFHVURJKSA-N 403.552 1.129 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)C(C)(C)C)CC1 1705640784 GGFUWUHOEOKCPV-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSC(C)C)CC1 1705643501 IIQDBFBVDUOKIH-ROUUACIJSA-N 407.584 1.899 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCSC(CC)(CC)C1 1705907616 RTCJNHHFWLYQFU-UHFFFAOYSA-N 420.583 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705935451 RWRDWKICRGCUMD-CVEARBPZSA-N 409.556 1.040 30 10 HDEE CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1709398326 YLQSPOXIVQLPRA-LAQIPUCWSA-N 422.555 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722277663 OGBYDULWAICVAK-HZPDHXFCSA-N 405.524 1.734 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1722339209 XZOCFQTXFFLLKK-UHFFFAOYSA-N 424.549 1.837 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1722356798 LPMGUOLYVIYGHH-OAHLLOKOSA-N 402.524 1.060 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1722397867 OGGDSDVFQQPCFL-SFHVURJKSA-N 414.473 1.321 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1722483979 IXXSCZYUQKRBTK-MJBXVCDLSA-N 409.332 1.811 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)C(=O)C1 1722488476 HYIIXDDDBLVJDU-UHFFFAOYSA-N 417.311 1.984 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722523559 YXEIRGBOHPRBHX-DLBZAZTESA-N 409.556 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCOC2)C1 1722710263 GHFDWHNCFBMEBP-HRCADAONSA-N 413.544 1.096 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1C(C)C 1722730465 SVJJDLKFPBQYSE-MRXNPFEDSA-N 409.556 1.626 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC 1722738394 IPWBEKLAGQQNOM-AWEZNQCLSA-N 403.574 1.376 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1725008356 LECAXDNLULWTSU-SJKOYZFVSA-N 410.475 1.588 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CC[C@H](CO)O1 1726403665 RDIRPKKRSJPBQO-DLBZAZTESA-N 400.458 1.464 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N(C)C 1728903069 ADFMEUUPVYEYCJ-SJORKVTESA-N 414.510 1.935 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1729221192 HVECPFNTCKBJGH-CJNGLKHVSA-N 406.487 1.550 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1730458838 FUSSKCXVVREFMW-HZPDHXFCSA-N 412.494 1.678 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCN(C)C1 1730762400 VTSJKZPKSISCJE-LJQANCHMSA-N 419.917 1.427 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1740613733 SAHALKLYBWZATM-UHFFFAOYSA-N 406.494 1.988 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1740617913 YWYDVFBXCVSRIL-KURKYZTESA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1740640429 MYYNRFBZDIIAOS-HNNXBMFYSA-N 403.533 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1n[nH]c(C)n1 1740650829 OZCMJDVIXRKDHF-UHFFFAOYSA-N 403.446 1.806 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(O)CCN(C(C)C)CC2)CC1 1740693667 HHUUWGMLFVOSNZ-UHFFFAOYSA-N 423.565 1.331 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@H]1C 1740711850 SRHSWZLIILMWKW-OAHLLOKOSA-N 420.560 1.940 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1740957984 GGIBYVCJPLNQDY-UHFFFAOYSA-N 415.542 1.622 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2cnnn2C)C1 1740985225 OLTBIBGRBSQPRJ-MRXNPFEDSA-N 413.457 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC1(C)C 1740995656 TWMPKBKQUAIXNC-HOTGVXAUSA-N 412.556 1.982 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C[C@H](C)O1 1743254263 JFIKURJMAKMZRZ-STQMWFEESA-N 404.421 1.812 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1747544422 WUCBLSCXWVRFKN-UHFFFAOYSA-N 407.434 1.368 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1748639059 BGKHSYDJPKXHIW-ZNMIVQPWSA-N 423.514 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1748658125 NRZCMTPEFNYWDN-LBPRGKRZSA-N 405.405 1.556 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1748710288 LVOJYQMQPBBNIC-MSOLQXFVSA-N 412.538 1.775 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(C)(C)O 1748770723 DETXFNOVLQALMB-UHFFFAOYSA-N 404.540 1.777 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2[nH]ccc2c1 1748847608 VSHSJZKZCUSHDD-LJQANCHMSA-N 421.526 1.977 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nncn1-c1ccccc1 1748959778 ZCJFPIMXHBRPHF-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCCN1CCC(O)CC1 1748959995 CVCUDXXTHAUZQF-UHFFFAOYSA-N 412.538 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC2(O)CCOCC2)CC1 1749004485 JWPRCGUJAZTPHQ-QGZVFWFLSA-N 417.554 1.689 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1749170784 TXWOQTYYABBBQI-CQSZACIVSA-N 419.555 1.488 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N(C)C)C1 1749709984 VDJUXFWFSFTQPE-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCC2)C1 1749713138 PHGFMWSDLQRJEC-IRXDYDNUSA-N 423.583 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)C)C1 1749714360 ICNUWNRMNYRODN-KRWDZBQOSA-N 409.494 1.386 30 10 HDEE N#CCCN(CC1CC1)c1nnc(Cc2cccnc2)n1CC(=O)N1CCOCC1 1750390192 HKVVEOUQWWGLFE-UHFFFAOYSA-N 409.494 1.253 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1760168157 PYHFVPVUQXLIRJ-GDLZYMKVSA-N 410.507 1.291 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCCC1=O 1760169841 FHMSYZLXOGTYJR-UHFFFAOYSA-N 403.490 1.919 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1760202414 CTDPAZPABYQOJF-HXUWFJFHSA-N 411.550 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1cc[nH]n1 1760207776 WOKFFAMEGJJDOC-UHFFFAOYSA-N 417.473 1.391 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1760233388 MBTNOPAMFRQIPF-MRXNPFEDSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(OC)ccc2OC)CC1 1760259636 FAMHDTTYLSIWKP-SFHVURJKSA-N 424.505 1.050 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(C)COC2)CC1 1760261934 XEGUQRZDCFZICG-UHFFFAOYSA-N 414.535 1.061 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccn2)CC1 1760306456 HMALCUPEJBIGBJ-CQSZACIVSA-N 420.315 1.807 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760510131 HMMQNSJWKBEGLN-INIZCTEOSA-N 407.540 1.205 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1760693849 MYRGHSKAWUYZLZ-NVXWUHKLSA-N 407.482 1.792 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1761551845 QMBFYDAOEJBUEK-IAGOWNOFSA-N 405.462 1.460 30 10 HDEE CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1768148568 YEVQIMJQPGDUBU-INIZCTEOSA-N 421.509 1.697 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1769494238 CWTPBOCUSUSEKO-UHFFFAOYSA-N 411.466 1.231 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1769570162 BODOLHBCGRKQMZ-XGHQBKJUSA-N 421.542 1.920 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CCO1 1770940430 HLRPFQMBVNVIJW-GOSISDBHSA-N 412.494 1.441 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1771343125 NPTTYIFMTLNIAV-HZPDHXFCSA-N 423.539 1.258 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccccc4)n3[nH]2)CC1=O 1852330489 IIIBVDXDKFFZPF-HUUCEWRRSA-N 406.446 1.659 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)OC2COC2)cc1 1853045559 QUTURHYGEWINNF-QGZVFWFLSA-N 422.409 1.668 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccnc2OCC)C1=O 1854131225 FQRGHODFEZIILC-QZTJIDSGSA-N 414.506 1.720 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1=O 1854252648 HSEHKORPIPVCRB-GOSISDBHSA-N 408.506 1.567 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)[C@@H]2CC=CCC2)C1=O 1854881769 WEXDVJPTLOKWLW-VQIMIIECSA-N 408.506 1.733 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCN(CCn3cnc4cc(F)ccc43)CC2)C1=O 1855790007 OCFIPJXBKXSBCN-IBGZPJMESA-N 412.469 1.224 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)C2)cn1 1856895096 GBBXKZDYOAWSGG-PKOBYXMFSA-N 400.527 1.334 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)COCc3ccccc3)C2=O)C1 1857137232 OJNJJAKZWNGNTR-LJQANCHMSA-N 406.442 1.361 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(C(F)(F)F)nc2)C1)[C@@H]1CCN(C)C1=O 1857264744 OSOQYRDAMZTYFR-UKRRQHHQSA-N 424.423 1.808 30 10 HDEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862558272 VPDPQLIDQDUNCW-IBGZPJMESA-N 409.442 1.992 30 10 HDEE N#CCOc1ccc(C(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 1865939686 IKTFJRBTYHAJPM-SFHVURJKSA-N 418.409 1.602 30 10 HDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)c1 1870150947 JWPPJZIWKBFKMM-GFCCVEGCSA-N 412.450 1.742 30 10 HDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)NC[C@@H]2CCCO2)n1N 1874554297 HGQKODBOZVRAJY-AWEZNQCLSA-N 419.507 1.523 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N[C@@]2(C#N)CCOC2)N=C(c2ccccc2F)c2ccccc21 1887622366 IDKVBBNNXGSKKL-DENIHFKCSA-N 421.432 1.947 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)c1 1889659854 YUGNSBLYJOGSQR-HZPDHXFCSA-N 404.492 1.137 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1890872587 WFOZPLVQYVSUTB-MJGOQNOKSA-N 421.538 1.782 30 10 HDEE CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1 1891963391 MPKXBZGEAMLHHT-CQSZACIVSA-N 410.390 1.898 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC#CBr 1895211460 GNDPJHYLBYLTBS-OAHLLOKOSA-N 417.256 1.286 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC[C@H](B3OC(C)(C)C(C)(C)O3)C2)C1 1902512387 MQZIZECGJAXATP-AWEZNQCLSA-N 410.320 1.911 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 1985101394 RQNCTKVQELNOIZ-UHFFFAOYSA-N 410.320 1.957 30 10 HDEE N#Cc1cnccc1-n1nc(C(F)(F)F)c(C(N)=O)c1I 2080260472 GEMSRGXGJQUIDL-UHFFFAOYSA-N 407.093 1.861 30 10 HDEE C#CCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br 2097961047 IPVIHDQEYAGTLB-UHFFFAOYSA-N 412.103 1.410 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 2118166578 FQJLUHWXMXHKHK-INIZCTEOSA-N 401.510 1.660 30 10 HDEE C#CC[C@H](COc1nc(Cl)nc2c1S(=O)(=O)CC2)NC(=O)OC(C)(C)C 2128051695 ZAIKVPPIGPOAEL-SNVBAGLBSA-N 401.872 1.755 30 10 HDEE CCOC(=O)CS(=O)(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157013455 CDYZHHQEVUEDSP-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)CN(C(=O)OC(C)(C)C)C1 2174786421 JQRXDEDHIIXXDC-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCO1 2176034568 HWGHLXAMQAQCSD-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186628473 QCGHZLMZPFEGRO-MNOVXSKESA-N 403.331 1.589 30 10 HDEE NC(=NO)c1ccc([C@H](O)CNC[C@@H]2CC2(Br)Br)cc1 2233038453 GVZMNECUGVRAPS-WDEREUQCSA-N 407.106 1.910 30 10 HDEE CN(CCn1cc(C(=O)N[C@@H](C(=O)O)C(C)(C)S)cn1)C(=O)OC(C)(C)C 2233478729 NCMOAYYOTLVYMV-LBPRGKRZSA-N 400.501 1.641 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2236960179 QKHCKBJPTDNANA-SOZUMNATSA-N 402.513 1.680 30 10 HDEE Ic1cn(CCN=C2N[C@H](C[C@@H]3CCOC3)CS2)cn1 2237131487 ZAZGQMBFSAOHNA-WDEREUQCSA-N 406.293 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CCn2[nH]c(=NC(=O)C#CB3OC(C)(C)C(C)(C)O3)cc2C1 2247803712 FUYSMHJNHMWUBZ-UHFFFAOYSA-N 416.287 1.629 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247830048 XCGWKJNNPPZKQD-IMRBUKKESA-N 418.303 1.304 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2247836389 BIYDWJBLCJYLFR-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258168509 DMSDNESAYLUPKN-RDJZCZTQSA-N 410.492 1.984 30 10 HDEE Cn1ncc(NS(=O)(=O)c2ccc(CC#N)cc2)c1I 2280041499 HFVHQNRSJNHRQG-UHFFFAOYSA-N 402.217 1.892 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCO[C@@H](CN)C3)c2Cl)OC1(C)C 2281937177 WONIKUZRTLIEDX-GHMZBOCLSA-N 400.737 1.937 30 10 HDEE CS[C@@H]1COC[C@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282047167 VLUGJARAXJTHJV-NXEZZACHSA-N 401.725 1.233 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282066125 GUMLOYZNXVYQRM-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1F 2282314846 GFGOHHLJPYWHAI-RYUDHWBXSA-N 405.322 1.713 30 10 HDEE C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333084 KJJIOOUPWOVGJI-TZMCWYRMSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(N)CCCC2)OC1(C)C 2282507630 KHDVQJIIKUNLQM-UHFFFAOYSA-N 401.363 1.133 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H]3C(N)=O)c2)OC1(C)C 2282852618 RLXFUXOQLYYOKE-LBPRGKRZSA-N 400.331 1.076 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@]3(C)CO)s2)OC1(C)C 2282855514 FUGUPDCUCLOODQ-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NC3CCC4(CC3)OCCO4)c2)OC1(C)C 2282861556 PKIFSFGRNSVFCY-UHFFFAOYSA-N 424.328 1.345 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284393160 HPEKMEKAHNVWNJ-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284407653 NSFCSZGRQRDDFQ-SNVBAGLBSA-N 421.371 1.532 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415286 MWBJNTMJEXKWPM-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE CCOc1cc(C=NNc2nc(O)nnc2C)ccc1OCC(=O)N(CC)CC 2323290835 FXRYKIZNHONQGH-UHFFFAOYSA-N 402.455 1.978 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1OCC[C@H]1CNC(=O)OC(C)(C)C 2367786656 IJLNKYUKATYNIF-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H](C)NC(=O)OC(C)(C)C 2367811831 MKVBTPLIUHBPCZ-ARFHVFGLSA-N 402.557 1.599 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2C[C@H](C#N)N3CC[C@H]2C3)C1 2368805807 MLGREWFYAKDKJW-ZVVDCOBXSA-N 412.490 1.611 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2372396935 OJHHQYKSNZMSGA-XLPNERPQSA-N 400.541 1.291 30 10 HDEE Cc1cc(C)c(C#N)c(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 22799676 SJODJMDOPCSYMD-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccncc2)/C1=C(/O)c1ccncc1 102542743 WQLHOAPXKMNDIP-LAFOYAEKSA-N 408.458 1.621 30 10 HDEE C[C@]12CCC(=O)N1[C@@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)CS2 111213163 RIDDYYJEAIEZBM-CLCXKQKWSA-N 416.528 1.852 30 10 HDEE CNC(=O)C[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 430930983 AXTBEUCEOVSYQM-PMACEKPBSA-N 419.485 1.836 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC(=O)N([C@@H]4C[C@H]4C)C3)n2)CC1=O 436403574 JCMDVYWTYVIJFG-QACKVURRSA-N 408.506 1.796 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 461604565 AOKNIQZFWDLLAP-UHFFFAOYSA-N 419.445 1.685 30 10 HDEE Cc1cc(=O)n(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 470595906 ZYXOXLCHDABIMN-UHFFFAOYSA-N 415.475 1.104 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1Cl 477900400 BSSDNSXNXGNXIN-UHFFFAOYSA-N 417.897 1.211 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1Sc1c(C#N)c(=O)n(C)c(=O)n1C 481835039 CUUAOIJIKRACFK-UHFFFAOYSA-N 424.486 1.772 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2S(=O)(=O)Cc2ccc(C#N)cc2F)cn1 486648200 CULKISZOKAFMCQ-QUGAMOGWSA-N 410.496 1.549 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c1 500968151 RWGBPWYATJQTOZ-UHFFFAOYSA-N 408.499 1.061 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 508883659 CBOOYBBHCRGWSO-ROUUACIJSA-N 417.535 1.791 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC[C@H](C)S(N)(=O)=O)c2)c1 512495662 CPFZHJQZNHQTCL-AWEZNQCLSA-N 415.471 1.672 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cccn2)C1 514429962 HNHLSSBIVQAAAY-KRWDZBQOSA-N 401.515 1.875 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C 515165333 BDEHJODNCZIKHJ-UHFFFAOYSA-N 405.479 1.465 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccncc3)c2=O)cn1 523577825 IMINXKKSQNVXLO-UHFFFAOYSA-N 405.483 1.383 30 10 HDEE Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1S(C)(=O)=O 536268088 ILUKJSWTYUKKQU-CYBMUJFWSA-N 421.500 1.576 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)CC1 538149290 RZWDZJGMZWMPNX-OAQYLSRUSA-N 417.598 1.840 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Cc4cccc(C#N)c4)CC3)C2=O)n(C)n1 541878971 YARMCGVGIURQFU-FQEVSTJZSA-N 420.517 1.483 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 554251417 OMIZZEXPYGHZPK-GOSISDBHSA-N 407.492 1.020 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 566826014 YKCFKIJNPUHOBV-RDJZCZTQSA-N 403.508 1.658 30 10 HDEE N#Cc1cc(Cl)ccc1S(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 569454031 VKBVZXIMZFHPPP-UHFFFAOYSA-N 403.913 1.400 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)NCc2ccccc2Cl)CC1 585227049 JTIIGXDMMQWWQB-UHFFFAOYSA-N 412.881 1.651 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](C)C(=O)OCCC)nc1C 586302023 HDUGYKAQRUXBGA-RPHGYIDUSA-N 402.494 1.823 30 10 HDEE CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586859888 LYXFBYQCOAUARW-FQEVSTJZSA-N 405.426 1.132 30 10 HDEE Cc1cccc(NC(=O)[C@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1 588962274 PBCLMJBOMZJPOM-KRWDZBQOSA-N 413.503 1.781 30 10 HDEE CN(C)CCn1cc(NC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cn1 611610214 JSULYENEJMQTFS-UHFFFAOYSA-N 410.413 1.218 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)c(F)c1 614828498 UFIMLZVZQOHSLD-QAPCUYQASA-N 421.425 1.277 30 10 HDEE C=CCOCCNC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 679493691 RSFFPYNXALOTQS-UHFFFAOYSA-N 401.554 1.967 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(C2CCC2)C1=O 730463635 ZIEBJJRJSNJOPA-MRXNPFEDSA-N 417.535 1.337 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 732152675 GFILUBPADUWQIX-VZCXRCSSSA-N 421.457 1.379 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 733853070 DIZRXGJAGTVAOR-UHFFFAOYSA-N 413.459 1.351 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 737305384 HPVMJLOKDSPOOI-BUHFOSPRSA-N 412.324 1.166 30 10 HDEE NC(=O)[C@@H]1CCC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 737968380 CHLRHKNAVPIUBQ-CABCVRRESA-N 420.535 1.446 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cccnn3)CC2)ccc1F 751197084 IWABEAQULXWKRK-UHFFFAOYSA-N 405.455 1.042 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(SCC(N)=O)s2)c1 753910191 HFDRVLCHVZYQKT-UHFFFAOYSA-N 400.532 1.553 30 10 HDEE O=C(CCCCN1C(=O)c2ccccc2C1=O)NCCN/C(O)=C1/N=CC=CC1=O 754223165 ICDSETPSKIZNCD-HNENSFHCSA-N 410.430 1.096 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cnn1-c1cc(C)ccn1 761056990 ILBIAOLAVGMBRP-KRWDZBQOSA-N 421.505 1.666 30 10 HDEE C=CC(=O)NCCC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 767427426 ZZKANOAJBKIMRA-INIZCTEOSA-N 405.296 1.850 30 10 HDEE CN1CCN(S(=O)(=O)c2cccnc2NN=CCCc2ccc(C#N)cc2)CC1 774387711 WCOQJYQDTPCMMR-UHFFFAOYSA-N 412.519 1.920 30 10 HDEE C#CCN(C(=O)c1cc([N+](=O)[O-])cc(Br)c1C)[C@H]1CCS(=O)(=O)C1 785934670 UTAYWZQCNUOKBJ-NSHDSACASA-N 415.265 1.928 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1F 798429785 NBGHJCDXLPKTRA-JTQLQIEISA-N 410.286 1.399 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)C(F)(F)F)CC3)cc2C1=O 799021268 SWOSDYXCUMQXJQ-UHFFFAOYSA-N 423.391 1.999 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)ccn1)C(=O)NCc1ccc(CN2CCOCC2)cc1 803849929 ZFZNEDXXTLHYEJ-INIZCTEOSA-N 408.458 1.647 30 10 HDEE C#CCN(c1nnc(-c2ccoc2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 812431115 ZCMSFUFTIHHKIM-SJORKVTESA-N 404.492 1.734 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(F)cc1 812876411 MEKOOVOYWCJEIQ-LJQANCHMSA-N 408.433 1.571 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1121617681 IIEKDVCYIYKQCC-RTHVDDQRSA-N 406.490 1.975 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc3c(n2)OCCO3)c1 1125119642 OAHCDOXKTDJMGH-OQKWZONESA-N 416.459 1.918 30 10 HDEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1134818314 WKSRKPZYOPKZDA-LBPRGKRZSA-N 403.464 1.614 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)nc2n1CCOC2 1135006108 PAJPSUPQUMZFHV-OAHLLOKOSA-N 409.446 1.541 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1136191796 BERGTSGGCDJOOM-OAHLLOKOSA-N 415.475 1.908 30 10 HDEE C=CCNC(=O)CNC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1137841216 VVNYJBFBSKJLQJ-UHFFFAOYSA-N 403.483 1.171 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CN(C)S(=O)(=O)CC)n1 1143259769 RVUIGUYZRNCPKB-UHFFFAOYSA-N 416.554 1.020 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cnc2C2CC2)CC1 1144025452 DSOYDJMUFVSOJF-UHFFFAOYSA-N 419.323 1.619 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1144551655 GICSPNSNVSSWAW-AEFFLSMTSA-N 411.499 1.566 30 10 HDEE C=CCC1(O)CN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1154865618 DOGAGLRLNMJXHZ-UHFFFAOYSA-N 406.426 1.913 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 1166936935 FUJCSAXHENOSBP-SNRMKQJTSA-N 413.499 1.914 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCC2)CC1 1167455609 SSHIVNUJRVNUSA-GOSISDBHSA-N 418.563 1.837 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](n3ccnn3)CC2)cc1 1168444763 JTRMJMFTBAZYON-INIZCTEOSA-N 402.480 1.337 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@](C)(C(F)(F)F)C2)s1 1174601957 UPAPIQFCNGZWFN-AWEZNQCLSA-N 412.455 1.935 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC[C@](C#N)(c2ccccn2)C1 1175210566 CDLBTCBJBOMEAA-GOSISDBHSA-N 411.428 1.418 30 10 HDEE O=C([C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cccc2ccccc12 1184341384 YXNWKVXKCGZDLY-IRXDYDNUSA-N 402.472 1.593 30 10 HDEE N#Cc1c[nH]cnc1=N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1186358630 GMOWFASQGMPIAU-AWEZNQCLSA-N 422.308 1.798 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)[C@H]3C[C@@H]3c3cccc(F)c3)CC2)c1C#N 1189271634 BIALZSJLXYHPBV-AEFFLSMTSA-N 403.483 1.747 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H](C)COC 1196047983 KJDFXOPNZXEIQI-MRXNPFEDSA-N 413.515 1.182 30 10 HDEE CC(C)O[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOC1 1227632779 PYXKUUGADRIKJH-RXVVDRJESA-N 400.479 1.542 30 10 HDEE COC[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1228558351 XBUGCYPICLGHKT-MPGHIAIKSA-N 411.911 1.650 30 10 HDEE C#Cc1cccc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c1 1230086662 PRXKXBJUGSRJQZ-KRWDZBQOSA-N 412.490 1.687 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)C1 1248675981 JMMMXHVHHVIDSH-RHSMWYFYSA-N 419.323 1.729 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1254215041 GOYWHEBLWKBCQM-AWOKKLPBSA-N 411.430 1.375 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cc1F)[C@@H]1CCS(=O)(=O)C1 1286394810 KMZJHKFLCVYDQC-MRXNPFEDSA-N 424.473 1.768 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCC1CCOCC1 1286461792 XWODUHAKEROFNZ-UHFFFAOYSA-N 412.494 1.828 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286558597 POZFIJZPKFTKES-WIYYLYMNSA-N 416.570 1.566 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1286613740 FEBTVHZMHWWEQA-RTWAWAEBSA-N 419.526 1.239 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(Cc1cccs1)C1CC1 1286778943 MMOYELFHGZTRMW-UHFFFAOYSA-N 402.524 1.949 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(C)(=O)=O 1292082782 ASJTXPRZUYLCLQ-GOSISDBHSA-N 410.544 1.371 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1298341002 AYQJNLBZNJNZQZ-GOSISDBHSA-N 421.505 1.628 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1300356232 AOGCUEKKWOCFCX-UHFFFAOYSA-N 419.489 1.274 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(CN2CCOCC2)CCCCC1 1300458063 LKUXDYCUYDGCDW-SFHVURJKSA-N 414.554 1.581 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)c1nccs1)[C@@H]1CCS(=O)(=O)C1 1300504854 USWQAVSRBNIBSO-HUUCEWRRSA-N 423.564 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1300538626 VPBIJKKRYUSSLL-UHFFFAOYSA-N 414.469 1.493 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1300619140 RTDIIHJZRYFOFX-UHFFFAOYSA-N 400.483 1.628 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2ccsc2n1 1300648729 IQCODDHTJGLMOJ-UHFFFAOYSA-N 413.507 1.358 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NC(C)C 1300676915 WSQUINYSDZELDH-SJLPKXTDSA-N 405.543 1.807 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(O)cc2)CC1 1300727287 VTWBHIIATIGIHB-IBGZPJMESA-N 423.517 1.696 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1300740782 CYTPAXWZVIFUKS-UHFFFAOYSA-N 400.508 1.495 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1301217079 YOVVIYWGLCIMSQ-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1301258846 BWNWITGAIUJECY-OAQYLSRUSA-N 415.542 1.695 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC(S(C)(=O)=O)CC1 1301260263 WNTPYHPFCKCBNR-UHFFFAOYSA-N 419.551 1.870 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1301296398 GOGDPOYTWUBNON-INIZCTEOSA-N 417.514 1.991 30 10 HDEE COCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1301322780 SHJNSLYRMPBQSI-HNNXBMFYSA-N 419.507 1.556 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(O)c1 1301491697 VDKIKBQTHXDTKI-UHFFFAOYSA-N 411.466 1.331 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCC1 1301496864 JCQVRVBOJSTONL-UHFFFAOYSA-N 403.512 1.141 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC[C@@H]1C 1302242199 JHMPUSYHRUIXNA-OWSLCNJRSA-N 406.531 1.461 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 1302977858 DIOTUZIMNJXUJE-HXUWFJFHSA-N 412.473 1.970 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)C1 1304596642 UBLVAHWVOJYZCA-UHFFFAOYSA-N 413.293 1.054 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1305115331 KYEFGPCFLOKDNM-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1307947781 VPVAFKVKAQAUTG-MRXNPFEDSA-N 410.515 1.394 30 10 HDEE COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1312902525 MHSIQVVVIAISOM-TWOQFEAHSA-N 418.519 1.101 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc(C4CC4)n3CCSCCCO)CC2)c1 1316533640 YKKQBZIHLOZERF-UHFFFAOYSA-N 413.551 1.864 30 10 HDEE COC(=O)c1nc([C@H]2CCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)sc1C 1324955962 FOFOXKPDQVWNBN-WGKGOADCSA-N 418.475 1.818 30 10 HDEE CN1CCn2nc(C(=O)NCCSCc3ccccc3C#N)cc2S1(=O)=O 1351894247 WDWOBTUMGRRILO-UHFFFAOYSA-N 405.505 1.052 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)cc1 1355743377 FRASLBIGTCZQRN-VXNZKSKFSA-N 413.521 1.405 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1358890004 JYCNJRRWAXDVPI-AEFFLSMTSA-N 415.563 1.947 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccnc(-n2cccn2)c1 1358954713 SFZPVLPYKYQLES-HKUYNNGSSA-N 407.478 1.701 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1359024803 WHZYIGIULRONNC-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1359034944 HIKIVFHIKJLGIM-AQNXPRMDSA-N 401.555 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1 1359063505 VJLQLVWPHKWKFO-SONOPUAISA-N 412.519 1.829 30 10 HDEE C=CCCOCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359223980 CFECVSDPTNIYJE-UHFFFAOYSA-N 412.538 1.748 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1359245023 ZNYRLCVCQSZTRW-UHFFFAOYSA-N 401.467 1.347 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCC1 1359294578 YAGRKCNFSCWVSZ-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359298875 OHAPTBSGAYMKIS-HRAATJIYSA-N 412.494 1.335 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C2CC2)C1 1359327284 XOIVELSFTKDAPY-CQSHLORDSA-N 406.527 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1359332602 BQPVIOAPUSBTIH-UHFFFAOYSA-N 408.528 1.060 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1359417772 DWODJJHBQVLKHP-LJQANCHMSA-N 404.478 1.703 30 10 HDEE CC(=O)NC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1359430358 RIOZRORRWSHORU-UHFFFAOYSA-N 410.478 1.359 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1360247664 DTQWBKJIGUBHKM-ACJLOTCBSA-N 404.496 1.114 30 10 HDEE N#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccn1 1437245839 VBERUYKMGWIMRX-UHFFFAOYSA-N 406.489 1.263 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)Cc1ccccc1CC#N)CCS2(=O)=O 1439952214 PFKDNLCNJBQPSS-GNZRSQJKSA-N 404.488 1.310 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC(O)C1 1450464365 INWXJHFZNBASLN-ZGOJQLDESA-N 416.478 1.599 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)n1cnc(C#N)n1 1454921074 BSULNINDDFMDAX-NWDGAFQWSA-N 406.368 1.910 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1455947663 SPQWBMQKAPJZBC-UHFFFAOYSA-N 414.531 1.061 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)c1 1456997879 DXXSWHXEOQEVRM-DNVCBOLYSA-N 402.472 1.623 30 10 HDEE CNS(=O)(=O)c1cccc(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1 1464086927 UMEASRAHWHIGJI-MRXNPFEDSA-N 424.523 1.798 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1 1464092930 BUTBKTHYFAUUKS-UHFFFAOYSA-N 411.483 1.672 30 10 HDEE C#C[C@@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1467294455 ZYLDGSOVMDIGAV-NVXWUHKLSA-N 403.483 1.761 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1=O 1467531510 HHJBALXTHZIBEI-BBWFWOEESA-N 422.570 1.458 30 10 HDEE C=CCN1CCC(NC(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1468647901 UNOBXZZWKUKEEW-UHFFFAOYSA-N 419.530 1.520 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1=O 1469366794 DDEVRLVWPMRBJX-SFHVURJKSA-N 420.473 1.599 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)CCCN1C(=O)OC(C)(C)C 1469705708 JNSXZNXUBOKGPJ-HXUWFJFHSA-N 402.499 1.555 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)cc1 1470254052 UZSMQZOBOMWGAU-NRFANRHFSA-N 406.486 1.752 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1O)C(=O)OC 1470336584 XXSSCWPXMYFOST-JKSUJKDBSA-N 404.463 1.899 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CCC1)[C@@H]1CCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1470635039 SOJQXYUPFANLFX-ACWOFJMJSA-N 405.520 1.968 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC[C@@H](c3nc(CC)no3)C2)c1 1472225376 AQBOOQBWHSWRMA-HUUCEWRRSA-N 402.476 1.610 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(CC(N)=O)CCCCC2)C1 1478403699 MZVRLAJGHREOGW-CABCVRRESA-N 407.515 1.871 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCn2ncc(I)c2C1 1478552196 AWHQYODNPQHMRD-BXUZGUMPSA-N 416.263 1.994 30 10 HDEE C#C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1478896647 PYHUNDRZVGLVJY-CQSZACIVSA-N 416.235 1.257 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)C1 1479312800 JTDFCSQLGBZHSA-SOAGJPPSSA-N 403.571 1.106 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(O)cc1 1499164028 GMBCFTCWZISWGU-HNNXBMFYSA-N 404.478 1.971 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CCO1 1505321904 GANWICMBJBIHJI-DOTOQJQBSA-N 411.466 1.440 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507545089 BLHMQTUVYPQWKR-CABCVRRESA-N 403.449 1.926 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1507620351 PBTHMIWKTFWKSL-MRXNPFEDSA-N 405.499 1.501 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1507992328 BMSZNAJWYFUDEU-ZFWWWQNUSA-N 407.540 1.250 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O)C1CC1 1507995402 JWHDMSMWHXFIDY-MRXNPFEDSA-N 407.540 1.523 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508087652 DBDZEWFNKPTRGY-CHWSQXEVSA-N 403.405 1.242 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCSCC1 1517576092 HSNNQJIQPQAJLV-UHFFFAOYSA-N 413.551 1.438 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1519326402 MVMWGGORGLHOAK-OLZOCXBDSA-N 423.424 1.507 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOCc2ccccc2)CCO1 1521122030 RRKOMDIAVPHCDS-SFHVURJKSA-N 410.478 1.460 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1524268644 NGEHQBPWYCHOJN-HNNXBMFYSA-N 401.916 1.596 30 10 HDEE CC(C)(CCC#N)CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1527480233 VYSLZFKBUKTWOE-AUUYWEPGSA-N 413.540 1.714 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(CC#N)cc3)CC2)cn1C 1530268573 HLGFJBUYBIGKBB-UHFFFAOYSA-N 415.519 1.512 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1533649307 HORLVBPSJJKNQD-UAGQMJEPSA-N 420.487 1.474 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCc1ccnc(-n2cncn2)c1 1535307063 JSWGTDUCWZBTCK-UHFFFAOYSA-N 413.235 1.992 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccnn3[C@@H]3CCCOC3)C2=O)cc1 1537368030 ANIKRZBIQULERH-SJORKVTESA-N 422.445 1.950 30 10 HDEE C=CCCOCCCCC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1537447650 JKOBHNRHWWRNLD-KOHRHEQBSA-N 401.525 1.765 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1539089046 FUOORSPZZBLUOP-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCOC1 1539327539 APNQHGGQPDAPGW-OAQYLSRUSA-N 400.429 1.761 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCC1 1539416985 WQTZKBGDAPERPZ-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1539428548 SVYXTCVMCDREMR-MSOLQXFVSA-N 400.527 1.153 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@@H]2OC)CC1 1539428977 YWERVSKRZUOYIN-MSOLQXFVSA-N 400.527 1.084 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1539513797 RVGBBQPFYSVSCP-UHFFFAOYSA-N 411.535 1.550 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539916347 KFHJXYMGSSHIKV-GJZGRUSLSA-N 409.556 1.449 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1540036439 NCYMTPJNKCIBNW-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1540871711 RQERBKYDQJTQRI-UHFFFAOYSA-N 404.559 1.864 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1540917213 PZIQLLVZSZZTSF-OAHLLOKOSA-N 417.601 1.622 30 10 HDEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1542790353 DRUCXSFIVPNDQS-KRWDZBQOSA-N 417.473 1.792 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC)C(=O)N1CCOCC1 1545202298 VWGZWRUNDIZDGP-ZIAGYGMSSA-N 403.907 1.776 30 10 HDEE C=C(CC)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1562067041 YVEORJLAUBAFIQ-AWEZNQCLSA-N 401.510 1.240 30 10 HDEE Cn1cc(CNC(=O)NCC[C@@H]2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 1564544093 AJOVMUWHGKEEQX-KRWDZBQOSA-N 401.492 1.725 30 10 HDEE N#C[C@]12CN(C(=O)NCc3c(F)cccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1564688839 HQIHHQBPIHTEEK-MGPLVRAMSA-N 403.382 1.507 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(O)nn1 1569445790 SRVXOCKWOWWMEV-UHFFFAOYSA-N 403.464 1.098 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 1569717134 CSQFGWLRNLCONT-MRXNPFEDSA-N 423.498 1.930 30 10 HDEE C#CCN(CC(=O)N1C[C@H]2COC[C@@]2(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1584081360 KXSFQTUDEPENNX-BTYIYWSLSA-N 408.495 1.673 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1587561498 FBXRHKHNBTYKNS-HOTGVXAUSA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1587641352 ZMCRPXMLYUQJIY-RDJZCZTQSA-N 416.547 1.914 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2cc(OC)c(C#N)cc2F)[C@H]1c1ccnn1C 1588236719 KTEJKUUUHJTLPS-MSOLQXFVSA-N 401.398 1.367 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(=O)C(C)C)CC1 1588769818 YVVBVXZYBKOSSU-UHFFFAOYSA-N 419.533 1.734 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCNC(=O)C(C)C 1589530913 ZFEUCHFIOHTFPJ-SQNIBIBYSA-N 405.543 1.972 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H]1CCS(=O)(=O)C1 1589580356 NTRGUXSAIXAIRK-LZWOXQAQSA-N 406.512 1.639 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1595133369 FIBBIEDTEUJQAX-FUHWJXTLSA-N 415.469 1.976 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C)C1 1595489924 KOQHJUNYPUOFRH-HNNXBMFYSA-N 407.478 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNC(C)=O)C1 1595745421 RTBADLYXNVUVRG-SFHVURJKSA-N 401.515 1.447 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNC(=O)c3ccc4c(c3)OCO4)C2)nc1 1596977332 GOIBCQHDKYIDPB-INIZCTEOSA-N 407.430 1.515 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCOCCS(C)(=O)=O 1614053706 LRBREEPNTCTPLV-MSOLQXFVSA-N 417.535 1.645 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)C1 1615977598 CPSUKKSHDYGDCX-INIZCTEOSA-N 420.539 1.898 30 10 HDEE CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1616496349 GAACTOMPVIHHLD-KBPBESRZSA-N 421.527 1.326 30 10 HDEE CN(C)CC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1617675285 GIUIWBRCZNPNJD-HXUWFJFHSA-N 414.489 1.955 30 10 HDEE CNC(=O)CCCN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1618730827 WNFLXATYLJNECE-WUKNDPDISA-N 417.514 1.064 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1619938998 IORQAOJXTLJWDB-UHFFFAOYSA-N 408.506 1.932 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CCO1 1620354492 GNNAERZWOZNQJN-OLZOCXBDSA-N 419.392 1.078 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)cn1C 1622272835 FNTDKJXZYAFEQF-UHFFFAOYSA-N 423.445 1.225 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C 1623848376 VMYWRELZCSTEAB-RHSMWYFYSA-N 400.479 1.680 30 10 HDEE CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCN(O)C2=O)c1 1624906293 FDPZZSSFNINUGY-INIZCTEOSA-N 423.878 1.885 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2c(I)n[nH]c2C)CC1 1627418009 ZQFCKSDBLYSDGB-UHFFFAOYSA-N 402.192 1.242 30 10 HDEE C#CCOc1ccccc1CNC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O 1628086860 UHUDWKVJWADQRV-UHFFFAOYSA-N 407.426 1.893 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCc3nc(-c4nc[nH]n4)no3)CC2)c1 1628141659 DZKKIZHBYCEZDU-UHFFFAOYSA-N 406.450 1.440 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)c1 1630619452 HZNFCPUIFZXBCA-UHFFFAOYSA-N 408.458 1.948 30 10 HDEE CCOP(=O)(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)OCC 1631047025 DYGDJKVWXLLWMP-CYBMUJFWSA-N 417.424 1.907 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1632307078 AELLNSFTHAMVML-XHSDSOJGSA-N 402.582 1.522 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](C[C@H]3CCOC3)c3ccccc3)C2)c(=O)nc1O 1633316967 CRKCXEXDMDNTPW-RDTXWAMCSA-N 409.446 1.555 30 10 HDEE N#CCC1(O)CN(C(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)C1 1634380485 OPECVKTVHBWXCO-NTEUORMPSA-N 405.476 1.904 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(I)cc1F)C(=O)OC 1635158817 MBCBBBNPYRTBJY-LBPRGKRZSA-N 407.179 1.904 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1635343164 NMZURLQXNWMREJ-CABCVRRESA-N 411.480 1.439 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H]1CN(C)CCO1 1635760242 FAHOKXBIABQMPC-NPBUUECASA-N 406.527 1.609 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CCC2=O)cn1 1635887711 GJYIZGWZDRRMMJ-OAHLLOKOSA-N 410.453 1.523 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1636299758 PEIRZNANFIJOTQ-HUUCEWRRSA-N 404.529 1.508 30 10 HDEE C#C[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccc(Br)cc1 1636541500 IDNVDERXVDAVDD-INIZCTEOSA-N 413.275 1.885 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(=O)N(CC)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1636713191 ZOOCSOLNRFVJGX-INIZCTEOSA-N 406.527 1.899 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](CCCO)C1 1637930347 JGKQIUUORVZMKE-INIZCTEOSA-N 407.536 1.907 30 10 HDEE COc1cc(N)c(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)cc1S(C)(=O)=O 1638196282 CEGCTKMVMNQELZ-UHFFFAOYSA-N 401.444 1.456 30 10 HDEE CC1CCC(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)CC1 1639429774 BUWOZFBRHMMECP-UHFFFAOYSA-N 400.483 1.866 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1640619207 ASBJCEJFCBLIKN-PMPSAXMXSA-N 401.429 1.159 30 10 HDEE N#Cc1cccc(ONC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1642628648 QSJZEHHCISEMHG-UHFFFAOYSA-N 407.473 1.489 30 10 HDEE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1n[nH]cc1C#N 1643356440 CIYIRWQZJDFOCZ-TUPIDYKKSA-N 405.505 1.932 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1=O 1643676002 SJXUAUFTZKFXLZ-YCRPNKLZSA-N 412.446 1.268 30 10 HDEE CCN(C(=O)CN(C)[C@@H]1CCC[C@@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1644117270 VORGTUGKVHMMFH-IAGOWNOFSA-N 424.505 1.556 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCC(Cc2nc(C3CCOCC3)no2)CC1 1647960138 NOMZZUPRPJHYQJ-UHFFFAOYSA-N 414.510 1.874 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1648069667 YJDJUNDGPYJKML-HNNXBMFYSA-N 414.524 1.099 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1648293232 VBPOYZIBPQYYDL-KRWDZBQOSA-N 423.517 1.668 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@H]1C(=O)OC 1648605423 SCSWJHNUCHGGLD-CGTJXYLNSA-N 401.463 1.524 30 10 HDEE CC(C)(C)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nc2ncnn12 1651221338 XJQIMCUAUHBBLL-UHFFFAOYSA-N 422.445 1.940 30 10 HDEE COc1cc(NC(=O)CN(C)CC#CCN2C(=O)c3ccccc3C2=O)cc(OC)c1 1652772950 PXCXSFYANKEJET-UHFFFAOYSA-N 421.453 1.874 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCC2(CCOCC2)O1 1652997010 ABXLWPVSHQLMCH-OAHLLOKOSA-N 421.519 1.350 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1654747262 PXEAHYCXLJYHLK-IRXDYDNUSA-N 412.408 1.873 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)o1 1655097216 HJPLQTUPHRYFHV-MSOLQXFVSA-N 411.510 1.238 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cnccn3)[C@@H](C)C2)c1 1657431404 PSHDEWUKZYMOSL-HNNXBMFYSA-N 401.492 1.292 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1659511981 CGLVTKIXQFROOR-UHFFFAOYSA-N 411.530 1.099 30 10 HDEE CC(F)(F)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1660342332 FCHRWOWTLVGDSE-INIZCTEOSA-N 411.522 1.730 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 1665342765 XTMFEPJINXFFME-UHFFFAOYSA-N 422.551 1.946 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681517078 XQWCZGVHCBZTPU-YOEHRIQHSA-N 404.492 1.272 30 10 HDEE COc1ccc(-c2cc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)on2)cc1 1683904699 XFILQNKZMUIJEJ-LIRRHRJNSA-N 416.459 1.430 30 10 HDEE N#Cc1csc(CNC(=O)N(CCCN2CCOCC2)Cc2ccncc2)n1 1684393622 MWTWXXKMZOKRHT-UHFFFAOYSA-N 400.508 1.844 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)c1ccc(S(N)(=O)=O)cc1 1684432787 XNVRAHPCQOTPEU-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3nc4c(s3)COCC4)CC2)c1C#N 1685348349 TWBXFLPFYAABTA-UHFFFAOYSA-N 401.496 1.161 30 10 HDEE C=C(CC)CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1686781917 DPJMUAJMXLWBBX-UHFFFAOYSA-N 401.252 1.879 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)CCO2 1690092369 GBONXIMTFDGAJT-UHFFFAOYSA-N 423.517 1.778 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1conc1COC 1690189830 CTSLKKIYLXVCGK-SCLBCKFNSA-N 422.511 1.063 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690255202 ONTVNJDMLUUQQE-BMGDNIKJSA-N 420.510 1.471 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCN(C)C(=O)C1 1690676373 XZRLISWUQJXULB-UHFFFAOYSA-N 412.494 1.055 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC2CC2)C1 1690694688 UAMJWNKZBTWITI-QGZVFWFLSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1690713983 AVBXREVNKIBRJF-GJZGRUSLSA-N 407.540 1.207 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1692672229 FDIAEUBRFUSKRM-WBVHZDCISA-N 412.494 1.855 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1COCCO1 1692821395 LVMTVGHCKWSEIX-ZTFGCOKTSA-N 417.441 1.701 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693268087 NUUGSHNGYVHVJE-MRCUWXFGSA-N 422.489 1.540 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCC(C#N)CC1 1697026672 FWLPUYQPONONAD-UHFFFAOYSA-N 422.486 1.285 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1698067066 ZLACNLPPPZFDFE-OAQYLSRUSA-N 423.477 1.278 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1705492141 LZUGVPQAPMCLPU-WBVHZDCISA-N 416.547 1.914 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705532860 RSZFEHYUACWCSD-SFHVURJKSA-N 423.521 1.406 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1705565331 UGMDRWVBXIOSMO-MRXNPFEDSA-N 413.503 1.860 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705570520 OBFFNPHXJCBKHA-CZUORRHYSA-N 405.524 1.876 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2ncccc2c1 1705627763 OXGKLFXECUGGGO-IBGZPJMESA-N 404.474 1.912 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCOC1=O 1705667855 WQJJUDUVQAYBRC-HXUWFJFHSA-N 400.483 1.349 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1705701299 AHIDOGHPHDJMCB-FUHWJXTLSA-N 411.510 1.783 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1705925468 PQHDOBYIWHOXLN-WMZOPIPTSA-N 423.583 1.999 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705942716 BFCSKDZUXGNYIR-WMZOPIPTSA-N 415.567 1.811 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1706069335 AKZFAESVIRCQRN-SJORKVTESA-N 403.531 1.078 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC(=O)N1C 1708233788 BLIOBBDRVBIOOO-LPHOPBHVSA-N 422.489 1.741 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1711961468 KMIVBXNLZIMVCD-INIZCTEOSA-N 412.494 1.845 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1722285458 UMMFLRBEJXGBJC-OAHLLOKOSA-N 401.492 1.336 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1722292736 JXLLEYKLUGOUKD-CABCVRRESA-N 408.462 1.065 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@H](C)C1 1722304855 AHHVUTLPKUFNQE-KNJMJIDISA-N 419.570 1.959 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722320177 SVUBRBGULSZGRT-ZWKOTPCHSA-N 421.567 1.288 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722373328 LWNFDEIKTBRAGE-QGZVFWFLSA-N 415.519 1.349 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1722405493 DBDPHGDAVNOROM-VFNWGFHPSA-N 400.479 1.962 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1722451344 JBSGRBJJWUINHA-ZIAGYGMSSA-N 415.585 1.258 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1 1722516701 CLEXYYPHKDXVNS-WMZOPIPTSA-N 407.515 1.263 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](CC)C1 1722691737 SKGLVKIKMSWMMC-CQSZACIVSA-N 415.523 1.559 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722727621 KDNVZXSFZPHJSJ-IAGOWNOFSA-N 424.567 1.514 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1723643614 JGGIBXJVIATDFS-SJORKVTESA-N 407.478 1.056 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1723785302 IERLEPUXRZAGBJ-PEBXRYMYSA-N 421.505 1.528 30 10 HDEE CCN(CC)CCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1728420919 AJZPCVJSMXWGEY-KRWDZBQOSA-N 401.515 1.371 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1728753967 FMJCPGPBSKLAOY-IPHXSNPTSA-N 416.526 1.679 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CCC2)CCOC1 1728778056 DQQCTALDFZLUEA-AFJIDDCJSA-N 421.567 1.971 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1740610266 VLFZXOKWFHPAMI-QGZVFWFLSA-N 415.519 1.482 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740622640 ZZNOCRHVKZGOQC-KRWDZBQOSA-N 416.551 1.742 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1740686660 VUFQCYFDRAONMA-OXJNMPFZSA-N 424.567 1.207 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ncnn1C(C)(C)C 1740686806 NLNHYBSZLXAYJK-UHFFFAOYSA-N 408.510 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](CC)OC)CC1 1740705473 HUCNBNAJQHMICN-ZWKOTPCHSA-N 403.527 1.911 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1747730276 HXAOPPBIPVHPEA-MSOLQXFVSA-N 410.478 1.543 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748811378 FQPJMFUBBYWJKA-SJLPKXTDSA-N 414.535 1.662 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1748818709 DWNJHUHKTHYYHD-MRXNPFEDSA-N 405.911 1.643 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1749232781 GZSHXBFBXRUNLF-YESZJQIVSA-N 402.499 1.411 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1749269383 RJGILUPTHUCUAF-CQSZACIVSA-N 419.935 1.674 30 10 HDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCCNS(C)(=O)=O)CC1 1749345925 XBIXAUPYZAMAFU-UHFFFAOYSA-N 424.596 1.976 30 10 HDEE C=CCN(c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC)C1CC1 1749516095 PEISQRIGEXLTPP-UHFFFAOYSA-N 417.539 1.529 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC=CO2)C1 1749698357 UERFQYHKFBWSKF-ARFHVFGLSA-N 411.528 1.362 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CCCC2)nnc1N1CCCOCC1 1750420526 XJMAJFVXFVBRKC-ZPHPHTNESA-N 400.483 1.689 30 10 HDEE CC(C)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1750811148 VCCNWLNWCXVUFB-CRAIPNDOSA-N 413.519 1.685 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCc2cnn(C)n2)CCOC1 1751006378 GMHDQJKLTNANEN-UZLBHIALSA-N 416.530 1.818 30 10 HDEE CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C(F)(F)F 1757864134 VAVARXTWJHDIMZ-DEQQHWRFSA-N 402.413 1.203 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760106421 CKXNPJDUDNLPEO-NVXWUHKLSA-N 412.519 1.556 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760188851 QLJPGOOVNNRLLI-ZWKOTPCHSA-N 422.551 1.739 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760351055 AXOZCEWWCQPFHS-INIZCTEOSA-N 418.542 1.504 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760380819 OOTYXVNEMVKPQZ-ZIAGYGMSSA-N 408.890 1.649 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(CCC)C(=O)C1 1760526942 JXHDEELSBPJSJT-UHFFFAOYSA-N 424.549 1.814 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(F)(F)C2)C1 1760535025 KGOXHRQWCDULIF-GXTWGEPZSA-N 419.498 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760553910 LNKGHTCUTNYUID-MRXNPFEDSA-N 404.540 1.874 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1760607097 LWSTZYWATCURLO-QGZVFWFLSA-N 416.432 1.909 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1761211279 LYHLNQNTOBNYRL-OXQOHEQNSA-N 402.499 1.494 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(N)=O)c1 1763112420 MJJWYRJKVGNDMK-UHFFFAOYSA-N 416.489 1.581 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CCO1 1763580591 DFTWTWCXLZMHQQ-SFHVURJKSA-N 424.505 1.870 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC[C@@H]1C 1769092338 YZBYMDIIAXRJJA-YOEHRIQHSA-N 403.508 1.723 30 10 HDEE COC[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1770776855 PZLLWMDPXHSARU-MSOLQXFVSA-N 416.551 1.768 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1771166753 RZBPOFAUZATCOS-XHSDSOJGSA-N 413.544 1.708 30 10 HDEE C#CCOc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 1850102693 DAXMMKXQARQKRF-ZDUSSCGKSA-N 419.425 1.746 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1850996875 MMGNYCWXFPJUCW-QGZVFWFLSA-N 412.515 1.968 30 10 HDEE CN1CCN(CCCNC(=O)[C@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])CC1 1851108090 LULZSRUPKFVWEC-GOSISDBHSA-N 400.483 1.189 30 10 HDEE COc1ccc(-n2nnc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)c2C)cc1 1851378515 XRVAFTXUJMSHJE-KRWDZBQOSA-N 406.402 1.828 30 10 HDEE C=CCC[C@@H](C)C(=O)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(C)cc21 1852149189 PAFDIIMJKBGNQY-OAHLLOKOSA-N 419.503 1.890 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCC(=O)CC2)cc1 1852169686 OHNIJIPCGLWILE-FQEVSTJZSA-N 411.483 1.639 30 10 HDEE C[C@@H]1CN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853919253 ZTBGPPIRFCEJMR-QAPCUYQASA-N 418.519 1.045 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC[C@@H](S(C)(=O)=O)C3)C2=O)cc1C#N 1854106702 BMRVKQNSCFBYOZ-MSOLQXFVSA-N 403.504 1.507 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)CC4CC4)C3=O)CC2)CC1 1854366785 NVIOFNRDNGYHNA-LJQANCHMSA-N 400.523 1.778 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1855423922 IKKUSMJVKJPEIY-SJLPKXTDSA-N 411.568 1.464 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cnn([C@H]4CCOC4)c3)C(=O)C2)cc1 1856310097 GULQNSZXTPUQDY-SFHVURJKSA-N 409.446 1.080 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3nnc(-c4ccc(F)cc4)o3)C2)CC1=O 1856829528 DMRKWPFFUMXXFY-INIZCTEOSA-N 412.425 1.034 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C[C@@H]1C 1856876433 WUMVNWRKOYCUTA-DZGCQCFKSA-N 405.476 1.309 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)[C@H]4COCCO4)C3)CC2)s1 1856901935 JNZWMKKNVFURSD-MAUKXSAKSA-N 403.504 1.622 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1=O 1856904978 UZJDZJHKOKIUHM-DLBZAZTESA-N 422.503 1.494 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3Cc4ccccc43)C2)CC1 1857035797 BUOYVUWNPJVZFL-AEFFLSMTSA-N 401.488 1.267 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2cccc(Cl)c2)C1=O 1857146763 RRUPBXJPXNCXPI-QGZVFWFLSA-N 410.865 1.563 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857361424 XQEIYPLRUZZLCB-IBGZPJMESA-N 417.531 1.776 30 10 HDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)c1 1870150950 JWPPJZIWKBFKMM-LBPRGKRZSA-N 412.450 1.742 30 10 HDEE C=CCn1cc(OCCN2C(=O)c3ccccc3C2=O)c(=O)cc1CSCCO 1870241062 OIEJCUDAWULBQU-UHFFFAOYSA-N 414.483 1.935 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)c(O)c2)cc1 1874350007 PMUDWLSSLAKDBZ-UFFVCSGVSA-N 413.459 1.748 30 10 HDEE CC1(C)OB(c2cnc(N3CCO[C@H]4COC[C@H]43)c(Br)c2)OC1(C)C 1877611482 HTPVODMNZAOWTF-KGLIPLIRSA-N 411.105 1.747 30 10 HDEE CCCCn1c(C(=O)NCC#CCN2CCOCC2)cc2c(=O)n3ccccc3nc21 1890373276 ZLJWBIAJDFIIIL-UHFFFAOYSA-N 421.501 1.515 30 10 HDEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O 1890560206 USRHHWUIKSQWIB-UHFFFAOYSA-N 414.483 1.965 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1896906595 XYVOJLISTAPKRQ-BARDWOONSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2CCC#CBr 1986189966 RTZZXRUXYKLYOK-UHFFFAOYSA-N 407.330 1.452 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010397399 LEOHRWKVNCKUHU-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE C#CCn1ncc(NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2060809590 MPBMXHWJZVUDNY-MRXNPFEDSA-N 415.288 1.327 30 10 HDEE CC1(C)OB(c2cnc(N3CC[C@@H](CS(C)(=O)=O)C3)c(Cl)c2)OC1(C)C 2172715446 KQOLLIFUBXJEJG-GFCCVEGCSA-N 400.737 1.905 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC12CCOCC2 2179891065 RQAFGYMIKHABDH-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CO)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674502 KGCFLPTWPDPVSK-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC1(C)OB(c2cccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2247859405 VBGHQRNSNDVXKS-UHFFFAOYSA-N 412.217 1.736 30 10 HDEE Cc1ccc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2247928679 GTHKRZZDHKSCGT-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258168510 DMSDNESAYLUPKN-WBVHZDCISA-N 410.492 1.984 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCS(=O)(=O)CC3)c2Cl)OC1(C)C 2267192625 UCNNPLPRLFZFGJ-UHFFFAOYSA-N 405.734 1.571 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267467220 BLGUNUQSLDSTDS-DEOSSOPVSA-N 408.376 1.452 30 10 HDEE CCc1nc(C(=O)N=S2(=O)CCOCC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282017681 NKFGUTJNJBRORN-UHFFFAOYSA-N 400.331 1.643 30 10 HDEE CN1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@@H](CO)C1 2282611448 LFFDDRPXHFSYRT-LLVKDONJSA-N 400.737 1.449 30 10 HDEE COC[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282833966 NIRANZROGUWOTD-GFCCVEGCSA-N 402.347 1.287 30 10 HDEE CN1CCCC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282863757 WANHOTGBIJMLLW-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H]2CCCC3(C2)OCCO3)OC1(C)C 2282869037 WIBKJZXGUXFXFQ-OAHLLOKOSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](F)C[C@@H]3C(=O)O)s2)OC1(C)C 2284399303 IYIOYCKUXIFVGW-NXEZZACHSA-N 405.278 1.233 30 10 HDEE N#CC1(F)CN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2365146375 OUUTYVOOSCYNRB-UHFFFAOYSA-N 410.164 1.226 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CCC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365170374 NPNRIBLOHIWRPD-FTXHTYHOSA-N 402.557 1.729 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 2365200149 VZNMJDXFOIMLQP-HNAYVOBHSA-N 402.557 1.553 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2365200405 YEJMWYDQAQJMNX-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367815185 GFELNEMVBRCDPL-QMTMVMCOSA-N 400.541 1.340 30 10 HDEE C[C@H](C#CC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)O)C1)NC(=O)OC(C)(C)C 2370207893 QAQCPSQVSPVDKS-MCIONIFRSA-N 400.412 1.827 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)c1 20527487 IUMMLRJZEHLSQF-CNHKJKLMSA-N 420.480 1.339 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(F)cc3)cs2)CC1 22846649 SBEANTWGLRXTDV-UHFFFAOYSA-N 417.510 1.808 30 10 HDEE N#Cc1c(CCCNC(=O)NCCCN2CCCC2=O)nn(-c2ccccc2)c1N 45684800 AJOHIJDAOLQHMW-UHFFFAOYSA-N 409.494 1.570 30 10 HDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cn1 47942050 KCIPRUJUQGMLIS-UHFFFAOYSA-N 417.553 1.310 30 10 HDEE COc1ccc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1OC 252642509 ZMJZYCMWKWTECA-UHFFFAOYSA-N 413.482 1.772 30 10 HDEE Cc1cc(C)c(-n2nnn([C@H]3CC(=NNC(N)=S)[C@H]4OC[C@H]3O4)c2=S)c(C)c1 254588571 CXYFULPYEICJMC-GUTXKFCHSA-N 419.536 1.599 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1F 409750062 JITFKVQUZGQLGZ-QWRGUYRKSA-N 402.386 1.170 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 410075222 QGEOSMBPAQGUJS-AWEZNQCLSA-N 418.471 1.925 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 426863883 IFSRKXKNCAMAPX-UHFFFAOYSA-N 417.466 1.528 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cn1 462097183 OEYBUFVBHWEYKS-OAHLLOKOSA-N 407.409 1.744 30 10 HDEE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 469880269 KTUQLADMHPWVLR-XIRDDKMYSA-N 405.476 1.292 30 10 HDEE CC(C)C(=O)NC[C@H]1CCCN(CC#CCN2CCC[C@H](CNC(=O)C(C)C)C2)C1 472564097 MHTIQRPTPTYGEQ-FGZHOGPDSA-N 418.626 1.958 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 473582763 MQPGSHOFVOOREM-GHTZIAJQSA-N 414.893 1.662 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CCS(=O)(=O)CC2)cc1 480970150 XNCWPFXVWJKVKH-CYBMUJFWSA-N 413.521 1.709 30 10 HDEE C=CCNC(=O)CN1CCN(c2nc3ccccc3nc2N2C[C@H](C)O[C@H](C)C2)CC1 485916369 BYURSDUJQLEIKR-HDICACEKSA-N 424.549 1.668 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 497580586 GKQSRSQQOAMHQK-MRXNPFEDSA-N 423.519 1.931 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 508798877 YDORNNIXILSEMP-IBGZPJMESA-N 404.492 1.530 30 10 HDEE Cn1c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nnc1C1CCC1 541174351 BWYYQPCGYUGBCQ-UHFFFAOYSA-N 400.508 1.461 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)NC4CCCC4)C3)CC2)n1 546196680 MRNIOBQQMUTOMA-QGZVFWFLSA-N 410.522 1.966 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2csc(N3CCCC3)n2)c1 558534667 LMFZKAZEFBODRV-UHFFFAOYSA-N 419.532 1.252 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccc(OC)n2)CC1 559010985 RQLSMCKOFHWZAX-HNNXBMFYSA-N 401.471 1.067 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1 565554083 SEJFDYCESUCJSK-HNNXBMFYSA-N 401.492 1.543 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 579499652 YXBOADYJVRBSSV-LJQANCHMSA-N 402.458 1.816 30 10 HDEE CN(C)S(=O)(=O)c1ccc(NCC2CCC(C#N)CC2)c(S(N)(=O)=O)c1 583134404 IOCSXCQEXNNMMX-UHFFFAOYSA-N 400.526 1.326 30 10 HDEE C=CCN(CC=C)C(=S)NCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 586410801 CMCOWPZUSGHDDQ-UHFFFAOYSA-N 410.565 1.215 30 10 HDEE CN1C[C@@H]2CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)[C@@H]2C1 590010437 ITEXTEQQQKXFAK-DOTOQJQBSA-N 410.478 1.091 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(F)c(F)cc1I 611548115 DEDFZGCJTAGGGE-UHFFFAOYSA-N 410.158 1.827 30 10 HDEE COc1c(F)cc(CC(=O)NCc2ccc(C#N)c(Cl)c2)cc1S(N)(=O)=O 619776816 WOJLIFONJAJPMT-UHFFFAOYSA-N 411.842 1.866 30 10 HDEE C#CCN(C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1)[C@@H]1CCS(=O)(=O)C1 729331814 HKHCZSQLAUITEC-QGZVFWFLSA-N 418.902 1.813 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717440 MQJJCRBOFSRLQJ-CYBMUJFWSA-N 416.438 1.322 30 10 HDEE C#CCN(CC(=O)NCc1cccc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 731213834 VEIXIUCATKQZBH-HNNXBMFYSA-N 418.437 1.366 30 10 HDEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664614 RZZGJVBSNRKMKN-RBUKOAKNSA-N 401.486 1.992 30 10 HDEE COC(=O)[C@H](NCC1CCN(S(=O)(=O)C(F)F)CC1)c1ccc(C#N)cc1 739999908 MRPLMRSYAJBUQJ-OAHLLOKOSA-N 401.435 1.626 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 742092134 RWDMFQJHBHWVDU-LBPRGKRZSA-N 403.508 1.213 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744441791 XAAGKGIIJVEMHL-UHFFFAOYSA-N 424.534 1.535 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1C#N 746877014 MFYICTXNFMKAMH-JOCHJYFZSA-N 404.426 1.577 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)c1 749254624 YJGMHVQWCCZJNQ-UHFFFAOYSA-N 421.501 1.816 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)CS/C2=C/C(=O)C(C)(C)C)C1 749781255 KCXAZZJYXXEBMG-ODGHKMFZSA-N 411.568 1.491 30 10 HDEE CCCN(C(=O)[C@H](C)ON=C(N)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 754277263 XEFSLHCZJXIISF-SWLSCSKDSA-N 401.916 1.791 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCc2csc(CC(=O)NC)n2)c1 754813350 MRNAFNBRBREPLG-UHFFFAOYSA-N 409.489 1.253 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 755547284 NRLCSZPMIAEMJM-ZBFHGGJFSA-N 414.462 1.825 30 10 HDEE CCC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 761852798 LCKLJCHXZVQACL-ZBFHGGJFSA-N 413.503 1.637 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CNC(=O)c2ccc3c(c2)OCO3)CCCCC1 764825245 LIJLQTUIAMLCCI-UHFFFAOYSA-N 407.448 1.065 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOCC2CCC2)C1=O 764938318 DAADNABORHHMBC-INIZCTEOSA-N 418.519 1.670 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 767701136 WIQVYAVPSPXNLV-APWZRJJASA-N 416.474 1.643 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)CC1 770109535 GPWIVOWBZBZPPT-YYHKSVKZSA-N 415.556 1.813 30 10 HDEE CC(C)[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1 777177605 NPXLAKJORCDLPB-DLBZAZTESA-N 404.488 1.726 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)CCCC1 779318966 SFPBQQXCMLOFNN-HNNXBMFYSA-N 409.533 1.812 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)n1 790106019 MNZWDBBVADHWAA-JOCHJYFZSA-N 410.518 1.782 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCCc3nnnn3-c3ccccc3)CC2)o1 796285884 WEIMGQGMRNKESK-UHFFFAOYSA-N 407.434 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 796729902 YBCTVOMUUWEMAO-INIZCTEOSA-N 423.491 1.530 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 797415820 GZNRMEIXALXATL-DRSNIGMVSA-N 412.490 1.938 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 802625181 DHIQNXBTBVFXTA-IIDMSEBBSA-N 401.463 1.600 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)ccc1F 803564462 NDGBHTDAFMHLHV-XJKSGUPXSA-N 402.488 1.178 30 10 HDEE CC(=NNC(=S)Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NCC(=O)O)cc1 915926511 DKMSVASLUNJAMT-UHFFFAOYSA-N 424.479 1.899 30 10 HDEE N#CCOc1ccccc1C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1 920633757 SZYJBHAODLQKDT-UHFFFAOYSA-N 413.455 1.792 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 921296899 TYWOBEAOOUAOTQ-OAHLLOKOSA-N 413.496 1.270 30 10 HDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1 1084600492 YCKMFHLWGAPTND-UHFFFAOYSA-N 409.384 1.229 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1128961811 FYZYWVVMVFCRIY-AWEZNQCLSA-N 414.849 1.870 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC([C@@H](F)C(N)=O)CC3)CC2=O)cc1Cl 1150162987 IDHCLPOVAJVGGW-CXAGYDPISA-N 406.845 1.627 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3COC4(CCOCC4)O3)n[nH]2)c1C 1152752626 GOBUHXCFXBIMRX-OAHLLOKOSA-N 401.467 1.728 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)CNS(=O)(=O)c2ccccc2N)C(F)(F)F)c1 1152831565 NIBIAJJJYCGKOU-MRXNPFEDSA-N 412.393 1.839 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3[C@@H](C(=O)OC)C3(F)F)ccc2c1=O 1153694499 COXDYRMEPKNPEE-AAEUAGOBSA-N 409.414 1.655 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)C1 1177758994 JLRGTDHDZFOOSM-AWEZNQCLSA-N 403.426 1.904 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccnn1-c1ccccc1 1178112868 XGJBCKIOIUODBC-UHFFFAOYSA-N 423.498 1.660 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]([C@H]2CCOC2)C1 1180319256 BSZVAOAPCPHPDS-SZMVWBNQSA-N 405.520 1.890 30 10 HDEE C[S@](=O)[C@@H]1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1184407165 VUDCJLGJFYPDOD-OBBVJQOISA-N 402.476 1.179 30 10 HDEE CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@@H]1N(C)C 1188327600 FTGIZHYSSREGLM-UONOGXRCSA-N 404.355 1.987 30 10 HDEE CN(CCC#N)C(=O)CCN1CCC(n2nncc2I)CC1 1196125963 UZFYEHVBWCRQRN-UHFFFAOYSA-N 416.267 1.282 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1198326269 BPJSCTCIUJXDTA-FUHIMQAGSA-N 400.504 1.500 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 1215276066 UHRUBQYINQNXKY-QZTJIDSGSA-N 405.520 1.858 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 1220729301 PKUSHPMWNCAYQV-UHFFFAOYSA-N 422.551 1.158 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCC3(C2)OCCO3)nn(-c2ccccc2)c1N 1230924505 FZSOYWITWPIGJK-HNNXBMFYSA-N 410.478 1.854 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248376233 UNYBAYOFZFWXKE-UXHICEINSA-N 419.485 1.316 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1253301445 LJRGMZMGRMLUPK-KRWDZBQOSA-N 424.542 1.308 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1286435524 CEYSUOKKZSCNSH-UHFFFAOYSA-N 405.462 1.440 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1286446714 HEMZPIOGFVFTEX-UHFFFAOYSA-N 405.510 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(-n2cncn2)c1 1286459605 RRIZEUYHAKVTKO-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCSCCCO)CC1 1286489628 AAWQYMIKYSPTIK-UHFFFAOYSA-N 416.551 1.355 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1286521885 GIDAZCLMLOJYAA-HRAATJIYSA-N 411.510 1.166 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286652983 ORIDDGNULNOLOS-QGZVFWFLSA-N 421.567 1.741 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)S[C@H](C)C1 1286781631 VXZSJVVEJJXFAA-ZIAGYGMSSA-N 415.523 1.558 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286808042 UFPIKHUPZLRPIH-IAGOWNOFSA-N 411.572 1.682 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1286821374 JIEDUFKCFVHJFL-UHFFFAOYSA-N 400.508 1.605 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cs1 1289394719 FVXBVBZPQOVEBB-GJZGRUSLSA-N 407.521 1.327 30 10 HDEE C=CCC1(C(=O)N2CCC[C@H](N(CCO)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCC1 1290486518 HZKDPFCJWZGXQQ-ROMHJBHXSA-N 402.535 1.968 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3onc4c3CCCC4)CC2)cc1 1290636461 NBOOPADXTTXXAU-UHFFFAOYSA-N 400.460 1.572 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1296571507 XCNYYNIAWSUZCC-NHCUHLMSSA-N 416.526 1.539 30 10 HDEE COCCN(CC#N)C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1298924709 OMANYUWGIKLRTE-UHFFFAOYSA-N 407.414 1.762 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1300271471 HNTSLTGKRGMNOK-ZNMIVQPWSA-N 403.508 1.522 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1300309007 ROAJSFHLHHLMRU-NEPJUHHUSA-N 410.487 1.934 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300363018 WFSLDFHKXRWALK-KRWDZBQOSA-N 409.556 1.447 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1300381689 VPSZVIIKYQSLOV-GOSISDBHSA-N 421.505 1.774 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300574567 DBSRTSRODRKHKC-PGRDOPGGSA-N 406.490 1.926 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1300674783 FRWUJRGDHONLOC-HXUWFJFHSA-N 420.897 1.748 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300989772 QTZPTBISNVTHSB-MOPGFXCFSA-N 416.526 1.785 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301197612 VZOVCLZBUNGTLM-CABCVRRESA-N 407.544 1.582 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1301220436 ANEKPYVJLIQKCH-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1301295828 APIBYYNEGVPQJC-CYBMUJFWSA-N 409.478 1.687 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1301421329 SUEACTWMAKHZMJ-MRXNPFEDSA-N 420.539 1.403 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnn(C)n1 1301427056 ZOUDATIVEMGENC-GDBMZVCRSA-N 404.519 1.407 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301510112 TZUKNEZDDKAEOM-IRXDYDNUSA-N 401.515 1.446 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCSC3)C2)nnc1[C@@]1(OCC)CCOC1 1301519477 OXUGDJQREUUTEM-VQTJNVASSA-N 421.567 1.566 30 10 HDEE COCCCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1301628238 QASSODIOIJGMBL-AWEZNQCLSA-N 416.482 1.574 30 10 HDEE C=CCCONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1301633176 OMMMHTKSLBMWGR-UHFFFAOYSA-N 400.453 1.481 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1301952120 HEFBATGQZFVTFN-JKSUJKDBSA-N 412.498 1.242 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1302095941 GHOMOEZCAIQLHQ-ROUUACIJSA-N 420.558 1.995 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)cc1 1302995424 YJDITWVVZLSWNV-HXUWFJFHSA-N 419.489 1.719 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1305742081 RSIYDAVROLLJKK-MRXNPFEDSA-N 415.542 1.851 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1306882541 GQAKOTOHSVJDOC-ZDUSSCGKSA-N 416.459 1.065 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C(=O)OC 1309442288 BTTIIHWVRIZTCP-GFCCVEGCSA-N 410.370 1.210 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1309844481 QCFGTMGJFYIDOC-UXHICEINSA-N 419.547 1.805 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 1310287457 KJVXQTVGSCMIRN-MRXNPFEDSA-N 405.524 1.430 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1314920885 SWZXVRXCQYWMFZ-RTWAWAEBSA-N 423.452 1.649 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1315042535 GZUSZEHTLJDFND-VQIMIIECSA-N 423.521 1.110 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 1320349777 DOYZQXMQIRESDR-CQSZACIVSA-N 400.522 1.115 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1F 1352234541 GWWPIGJUITUEQJ-ZDUSSCGKSA-N 412.425 1.557 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1358903651 FGEUCRWLGWYVOY-UHFFFAOYSA-N 402.543 1.961 30 10 HDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1358917180 IVOZGGRQQIZCQN-SFHVURJKSA-N 415.469 1.751 30 10 HDEE C#CCN(CC#C)c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 1358979400 LIDHKLYORDPIKW-FGTMMUONSA-N 413.522 1.938 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2csc([C@H](C)OC)n2)CC1 1359041440 WQKKTGQNLNNIRS-ZDUSSCGKSA-N 402.524 1.765 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC(=O)NCc2ccccc2)CC1 1359045537 LFEQBWZOSSAYQG-UHFFFAOYSA-N 422.533 1.513 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCC2)CC1 1359173396 FLODLTQCRRRZJW-HNNXBMFYSA-N 410.588 1.775 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1359239443 OGMRXVQSIURGJL-KRWDZBQOSA-N 417.535 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1359328313 ZRJRAHXLNCWAIZ-INIZCTEOSA-N 423.583 1.662 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1360784503 GEJAPRTZYNHWSA-MAUKXSAKSA-N 407.540 1.879 30 10 HDEE N#Cc1cccc(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)c1Br 1436895483 AUIKALPCXBLTAH-UHFFFAOYSA-N 407.249 1.757 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(C(=O)OC)cc2)s1 1440808045 ZETYFNIVXYNSCA-UHFFFAOYSA-N 422.528 1.900 30 10 HDEE CCO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCCC1 1441008127 GPZUIXRTXACBHE-LJQANCHMSA-N 405.520 1.986 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1446786929 RSUXPHJLZMLZKL-ZWKOTPCHSA-N 414.506 1.996 30 10 HDEE C[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1447648448 GFQMOPAHWJJBHR-NSHDSACASA-N 401.282 1.735 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc([C@@H](C)C(=O)OC)cc1)c1cc[nH]n1 1451289253 BIBYHSINSBADDW-GFCCVEGCSA-N 402.407 1.609 30 10 HDEE C=CC[C@@]1(C(=O)NCC(C)(C)CS(N)(=O)=O)CCCN1C(=O)OC(C)(C)C 1454771692 JMXBGGFLBTUSFM-SFHVURJKSA-N 403.545 1.763 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3Cc4cccnc4NC3=O)ccc2c1=O 1455336289 FMNKOCUYONYYCD-HNNXBMFYSA-N 407.455 1.559 30 10 HDEE Cc1ccc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1455584179 NZLBVTXWHRZONC-HNNXBMFYSA-N 405.398 1.184 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1455705116 NINMCQCPDYDYFJ-RTBURBONSA-N 413.518 1.309 30 10 HDEE CCN1CCC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1456158034 RBHRDHLYCVLMLX-RDJZCZTQSA-N 406.552 1.740 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@H](CS(C)(=O)=O)C1 1460859780 PEXMEFMBXVHDFA-HOTGVXAUSA-N 409.508 1.076 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnc(Cl)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1462997892 LGICFMQKKUNHAT-ZANVPECISA-N 404.673 1.508 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)C3(C(=O)OCC)CCOCC3)cc2C1=O 1463133488 JYPAHYKDFRDNEQ-CQSZACIVSA-N 414.458 1.947 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1464127626 IGWYVTOWDFWPPQ-ZIAGYGMSSA-N 423.963 1.810 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N(CCC#N)CCN1CCOCC1 1464555375 WWLDITKKVPCXSF-QGZVFWFLSA-N 418.498 1.276 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)n1 1467714879 CQVYCWQCBVCZJU-ROUUACIJSA-N 420.510 1.421 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)CN2CCN(CC)CC2)c1 1469093055 BWBIBWSYQBVRMG-UHFFFAOYSA-N 408.568 1.297 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)C#Cc3ccc4c(c3)OCO4)CO2)C1 1470030014 ITQTWMNQYDOSBM-HNNXBMFYSA-N 400.431 1.661 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@]12COCCN1C(=O)COC2 1471099230 IVNVNAKGQOYXPL-HXUWFJFHSA-N 405.499 1.180 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCCN1C(=O)NC(C)(C)C1=O 1471590424 DGLLGZSPZMASCJ-UHFFFAOYSA-N 401.467 1.437 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)CC1 1471936011 QLMGUKVOIDVELM-MRXNPFEDSA-N 409.552 1.989 30 10 HDEE N#Cc1cn(CC(=O)N2CCCC[C@@H]2c2ncc(Br)cn2)c(=O)nc1O 1471943502 LHFDYCULDOJAHP-GFCCVEGCSA-N 419.239 1.127 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)[C@H]1CCCO1 1475216835 OLYKRHHPPZVCNQ-CEXWTWQISA-N 422.503 1.124 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CC2)n1 1492742592 FLONUNNLZXUBOY-NDEPHWFRSA-N 401.540 1.791 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C)O1 1494235704 IPLYUTQRHUWFPD-GJZGRUSLSA-N 417.473 1.973 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnn(CCOC)c1 1507610508 DSXCTKWSANQTHU-UHFFFAOYSA-N 408.462 1.677 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)F 1507772741 MYPOISZNTBRRMH-SUMWQHHRSA-N 402.467 1.802 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507782576 KVBMDQGUELCMLF-GXTWGEPZSA-N 418.299 1.701 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC(C)(C)C1 1508074189 QWWGKBYAOVFJHY-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1508422818 FHTMTNQVDQAFBG-IIDMSEBBSA-N 417.535 1.878 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1508426353 FNOABPMAAGJUSL-INIZCTEOSA-N 419.493 1.625 30 10 HDEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1510078366 KONOCEVXLNJAPB-SJLPKXTDSA-N 410.526 1.673 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(-c3ccc(OC)c(OC)c3)n(C)n2)CC1 1530234980 INJPDBYLTZLQSS-UHFFFAOYSA-N 410.474 1.706 30 10 HDEE Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1537721804 KDZYMQSBPDINPX-UHFFFAOYSA-N 415.519 1.626 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539133870 NUXHLKGMTCEOSK-QFIPXVFZSA-N 404.474 1.859 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1539369536 MJGFEGHSLGPDRH-INIZCTEOSA-N 423.564 1.489 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1539417326 DCDLLFVSTPDAIP-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)CC1 1539468701 HMFKTQVJTOHMEY-UHFFFAOYSA-N 406.534 1.983 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCCC2)CC1 1539829791 DYTYECVRIPBARN-UHFFFAOYSA-N 409.556 1.930 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C)C1CC1 1540093089 XLRDMHGZLLDAAP-UHFFFAOYSA-N 402.543 1.780 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540868003 OSISAFUQPVRNBB-AWEZNQCLSA-N 416.913 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)=C(C)C1 1540897500 KSHCQQZAVHPQIO-UHFFFAOYSA-N 407.540 1.661 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1540901388 BRFVFJRNUGWUSD-CYBMUJFWSA-N 421.489 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(OC(C)C)CC1 1540901833 QQIXUCFCOFCMPR-UHFFFAOYSA-N 420.539 1.730 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC(F)F 1541922728 NEOZFJPKBNJUFA-LBPRGKRZSA-N 420.486 1.648 30 10 HDEE C[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1)NC(N)=O 1542096310 IJSGIXRILOVDRY-GTMGWDBPSA-N 409.512 1.665 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)ccc1F 1543526234 KNTKABBTJAIBMZ-YOEHRIQHSA-N 422.482 1.674 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1555056209 RAKNXXNQDAYLDW-KRWDZBQOSA-N 424.505 1.989 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1c[nH]c2ccc(I)cc2c1=O 1556973374 GBOFTCUQNJAYRF-LLVKDONJSA-N 408.195 1.607 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1 1557043064 MTJMUUXDMPHERA-UHFFFAOYSA-N 424.544 1.947 30 10 HDEE COC(=O)[C@H]1c2ccccc2OCCN1CCS(=O)(=O)c1ccc(C#N)cc1 1560198388 RLYAZKLGBREDJF-LJQANCHMSA-N 400.456 1.941 30 10 HDEE C=CCN1CCC(NS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 1561228577 SSXPXWNMEIDVMN-INIZCTEOSA-N 403.545 1.192 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 1561411750 NCWCBOLRGLPJOU-NSHDSACASA-N 417.285 1.466 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1)C(=O)OCC 1561828700 WWJFBDLAACQSHN-GFCCVEGCSA-N 413.876 1.582 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OCC 1561875666 DCPXAWVXMLAGGP-INIZCTEOSA-N 416.521 1.403 30 10 HDEE C=CC1(CC(=O)N2CCN(Cc3n[nH]c(C)n3)CC2)CN(C(=O)OC(C)(C)C)C1 1565963209 GQDJSBIBEUQVOB-UHFFFAOYSA-N 404.515 1.571 30 10 HDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1568501340 GWCRWVOZUZXXRS-ZWKOTPCHSA-N 410.861 1.989 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1 1568932421 DQOBTIVCKLXQET-OAHLLOKOSA-N 409.483 1.450 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)[C@H]3CCCOC3)C2)C1 1570326156 AFBALPPKDURZMU-YFUGFCHXSA-N 407.511 1.677 30 10 HDEE C=CCOc1ccc(C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1 1572484126 KDIGEWIROJFGJP-LBCBGTHCSA-N 400.475 1.224 30 10 HDEE CC(C)(CC#N)CNC(=O)c1cc(I)ccc1-n1cnnn1 1584595884 LGUCBLJVDYRLBP-UHFFFAOYSA-N 410.219 1.937 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 1584853911 USPYBCWFACMICF-HKUYNNGSSA-N 400.504 1.473 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 1585562160 BWMIEKALPPDRMM-SFHVURJKSA-N 415.519 1.576 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)CSCC#N 1585725420 IYEPSOZKPUNBGN-CMPLNLGQSA-N 409.430 1.623 30 10 HDEE C#CCSCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1586900800 KUIDZYWRUZQWKL-WCQYABFASA-N 408.442 1.733 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@]2(CC(C(=O)OC)=NO2)C1 1587623632 FDJFEGCHPSOYCP-XIKOKIGWSA-N 415.874 1.943 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1587765567 IDOMYHDTUFVWIK-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1587782971 GPROEIZEKMDBRH-UHFFFAOYSA-N 408.506 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnn1 1588129128 XIARWKGSCTUPCK-UHFFFAOYSA-N 413.445 1.349 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC=C 1588458069 BYOVFLLTQMUULY-UHFFFAOYSA-N 424.480 1.595 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1595529590 ACNAWYPZCFAVRV-JOCHJYFZSA-N 421.505 1.733 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1595753353 HLJOQCYJDFIBGB-GOSISDBHSA-N 411.506 1.930 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(C)cc(C)n3)CC2)c1 1597289605 BFYVLGJXJWMERE-UHFFFAOYSA-N 412.515 1.853 30 10 HDEE C=CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1611408170 HYHWZQGWSKJCMT-DZGCQCFKSA-N 420.462 1.689 30 10 HDEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1612323416 KDSBNJHWKNSWPP-KRWDZBQOSA-N 405.462 1.961 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCOCCN(C)C)n1 1612493272 PRPAYMKPAALBPG-IBGZPJMESA-N 404.494 1.160 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)C1CC1 1617792400 BVQGXHYSTLXKCF-QFIPXVFZSA-N 424.505 1.273 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCC2(C#N)CCCCC2)c1 1617977856 SFNRBTJFPRLECH-UHFFFAOYSA-N 408.524 1.469 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1620348155 MSAZYEUSONTQGZ-MDOVXXIYSA-N 419.432 1.978 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1624398851 FXHFELYMPDPZGW-LJQANCHMSA-N 411.433 1.057 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1628251514 KNGJIXSRIOHFLS-QKKBWIMNSA-N 416.478 1.997 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3cc(S(N)(=O)=O)ccc3F)CCOCC2)c1 1629647464 RESZONVGOXZHQO-UHFFFAOYSA-N 403.435 1.780 30 10 HDEE C#CC[C@]1(C(=O)NCCN2CCC3(C2)OCCO3)CCCN1C(=O)OC(C)(C)C 1633489256 TUIWGINJKBYDMO-HXUWFJFHSA-N 407.511 1.344 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 1635329660 PZTXWHIKRYIGSY-UHFFFAOYSA-N 401.492 1.188 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCC(O)CC3)C2)C1 1635689046 XQJRGVJGLPHWFA-TZQQIIETSA-N 406.527 1.346 30 10 HDEE COC(=O)C[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638305721 NEUFDYIONSWILS-OAHLLOKOSA-N 422.279 1.547 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCOC[C@@H]2CNC(=O)NC)s1 1643283897 XVBZPKABUCAEFS-LBPRGKRZSA-N 418.972 1.995 30 10 HDEE C=C(C)[C@@H](CO)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 1643460977 LQQDVKNVLHRBFG-OAHLLOKOSA-N 411.553 1.719 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1644128200 ZFAXNNOOQJUVAE-ZIAGYGMSSA-N 413.471 1.384 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1644563504 IWKRVIVEKYLWDQ-CQSZACIVSA-N 415.556 1.660 30 10 HDEE N#Cc1ccccc1-c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1644996200 GPZAGOLFGLFXFW-FGZHOGPDSA-N 411.527 1.501 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@@H]2COC[C@H]2O1 1646561457 CARBYOWBFKZGDD-VAMGGRTRSA-N 416.497 1.413 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccccc1I 1648076886 ODMVWLMUGRZNRO-UHFFFAOYSA-N 401.204 1.618 30 10 HDEE O=C(CCn1cnc2ccccc2c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035619 GZEBRGJUYNACRU-UHFFFAOYSA-N 420.425 1.691 30 10 HDEE COc1cc(CN2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)cc(OC)c1 1652673679 UHOLJMKKIKWICT-LJQANCHMSA-N 403.523 1.893 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(I)cc1C 1655366010 GDLCUCNRBBWLDK-UHFFFAOYSA-N 415.231 1.927 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3nc[nH]c3[C@@H]2c2ccnn2C)c1 1659169988 JRIQCWLTWMGVPF-FQEVSTJZSA-N 403.446 1.420 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1663616413 FICFEHQFDCRWMW-KGLIPLIRSA-N 406.501 1.050 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)OC)cc1)C(=O)OCC 1665498138 XJIJWKIXRPIHPX-CQSZACIVSA-N 405.856 1.591 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 1668239349 WXIPCGWHLCIYGI-KRWDZBQOSA-N 421.339 1.966 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCOCCOC 1671509631 BEWCGJNGNJYYRF-UHFFFAOYSA-N 404.529 1.314 30 10 HDEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N(CC)CC)C1 1673018959 YMWPDQWTPCEGSX-UHFFFAOYSA-N 408.524 1.957 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(N2CCN(C(C)=O)C2=O)c1C 1678295446 YKNIQMKSEIWNCQ-UHFFFAOYSA-N 408.480 1.506 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(COC)COC)CC2)c1 1678975175 FOPBXQXOMIKOBL-IBGZPJMESA-N 404.511 1.856 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1682373585 LCJODNMRNIOOFP-WBVHZDCISA-N 423.514 1.120 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCCn2cc(Br)ccc2=O)n1 1682959428 ARVMQUFYXPKOAH-UHFFFAOYSA-N 406.284 1.672 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCC3CCN(C4CCOCC4)CC3)CC2)c1 1683765467 KIBGSASTVQNNHB-UHFFFAOYSA-N 412.538 1.676 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)on1 1686084636 QOWAKIKQNRALAY-INIZCTEOSA-N 411.418 1.718 30 10 HDEE C#CCO[C@H](C)C(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1689628086 NXQZJUFMBHIXDS-IGALEPNSSA-N 400.519 1.678 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1689873312 DQOPSJLJJBYKOL-UHFFFAOYSA-N 401.515 1.214 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1690079016 QWPVECQDNKGDRH-UHFFFAOYSA-N 407.515 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CCC)OC)CC1 1690144313 UMZOFTJSBVTBMQ-IAGOWNOFSA-N 416.526 1.010 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1690449711 OFKCUFMONRBDFF-UHFFFAOYSA-N 412.560 1.291 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)OC 1690620325 XZLXBKAYPCKDJO-OAHLLOKOSA-N 412.494 1.866 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCCCC2)C1 1690655261 MOSCPHDYSDSDCH-UHFFFAOYSA-N 416.526 1.356 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1Cc2ccccc2O[C@@H](C)C1 1690674912 JYHHVUKJTWRWNI-INIZCTEOSA-N 424.505 1.490 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCS1 1693773092 HUFLNZPJGHZWKF-AWEZNQCLSA-N 422.518 1.912 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(C#N)CC2)C1=O 1696874677 ODHNSOCNTDQYGB-QFIPXVFZSA-N 419.489 1.947 30 10 HDEE CO[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697658268 CIVAWYGHZYIDOK-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)cc1 1698489463 RBFBTOKPARWHRN-HXUWFJFHSA-N 414.441 1.570 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1705557211 ZNEVJWLZUHQLJO-QGZVFWFLSA-N 402.520 1.978 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1705569071 YUSAINCPHVPJLH-KRWDZBQOSA-N 419.551 1.384 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1705587624 CEVNENKWQAQYJE-UHFFFAOYSA-N 400.552 1.026 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)(F)F 1705629809 WIHCTJBJQVPYHO-UHFFFAOYSA-N 410.400 1.028 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(-n2cncn2)c1 1705630677 CCDPWGIDCJVNLG-LJQANCHMSA-N 407.478 1.845 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC(=O)NC2CC2)CC1 1705634470 XKEDTXCWOCYESN-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1705634743 HUZUCCQRQYZMHH-QFIPXVFZSA-N 424.505 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1705674864 SPAGCWPUQZQCQB-JXXFODFXSA-N 421.567 1.649 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1noc(CC)n1 1705717780 RKVJSWHPTZVACD-AWEZNQCLSA-N 408.528 1.771 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705832196 QEKBFTXCSUGAER-MSOLQXFVSA-N 403.527 1.856 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)Nc2ccccc2)CC1 1705904709 VUTVZLRKQQQSDT-UHFFFAOYSA-N 411.510 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)C1 1705925261 NCTHKIABADSMGX-BRWVUGGUSA-N 410.540 1.388 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722287294 LSZBMWQGFZLLJT-IEBWSBKVSA-N 409.538 1.741 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722308221 IIGVJVUPXSTTSS-OXJNMPFZSA-N 405.499 1.837 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722368616 TZYJYYPWRQGXLP-QKLQHJQFSA-N 410.584 1.900 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC(C)(C)N2CCOCC2)CC1 1722436219 AARYQENIVRXKIB-UHFFFAOYSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)C(C)C)CC1 1722438183 NWRGMWBCSLDUEN-UHFFFAOYSA-N 413.526 1.101 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@@H](F)C2)CC1 1722441121 LRLBPPYSLBIHHK-OKYOBFRVSA-N 405.518 1.896 30 10 HDEE C=CCn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691295 RFZYADQPIHRDAA-WIYYLYMNSA-N 405.543 1.663 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](F)COC 1728518730 MAINNFKIVYEEIG-MRXNPFEDSA-N 409.487 1.672 30 10 HDEE COCCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1730669759 DMPDEQYSVCTYMJ-OAHLLOKOSA-N 418.523 1.815 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1730947390 VUMJAEPSYNBCAL-FTRWYGJKSA-N 422.505 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1740559338 LYIKNSRVHXOEFT-CKJXQJPGSA-N 400.479 1.864 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740616640 DSCFLDCEGBBLPZ-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1740627592 RGTUPZZRVJAVIW-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1740658171 DBQJAIOKAJZIPI-JPYJTQIMSA-N 424.501 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@H]2C)CC1 1740705857 NHYBQOUHTLFTSU-NJAFHUGGSA-N 412.538 1.631 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@]1(N(C)C)CCSC1 1740723528 QFAKTZAKYBIHHE-UXHICEINSA-N 404.584 1.846 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](CC)O[C@H](C)C1 1740955401 TVZYCDBLGZBMFS-ZBFHGGJFSA-N 413.478 1.980 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCSCC=C)C1 1740981881 QWFGDAZGXDKOTJ-CVEARBPZSA-N 412.581 1.881 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1741123488 DFMQLYPDIRGFNN-CVEARBPZSA-N 419.493 1.980 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)OC 1744165755 KAUCSHCUAXHSLL-SCTDSRPQSA-N 424.505 1.869 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1745200267 DEHRYRGPRNBRSX-HOCLYGCPSA-N 401.515 1.522 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748811387 FRQQAMHCRYARIH-JKSUJKDBSA-N 418.523 1.177 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cccc(C(N)=O)c2)CC1 1748982976 GMNANMYYVFJOKZ-UHFFFAOYSA-N 404.474 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCOC2)CC1 1749005444 WHDLVIZLSMALEE-SJORKVTESA-N 419.526 1.004 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1749046578 BNZJWRFSVKJHTG-UHFFFAOYSA-N 415.544 1.664 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1749275466 CEEQIPPMTKTLEX-MRXNPFEDSA-N 422.961 1.843 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749424624 LVJKZBFKNJLRGV-FQEVSTJZSA-N 410.482 1.516 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749659035 RULMRUDZGOKBHM-MRXNPFEDSA-N 414.510 1.842 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749761972 KCESOGXWERIALM-KRWDZBQOSA-N 405.568 1.977 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)C1 1750378312 HAUWJIWAYWLJAV-NRFANRHFSA-N 413.501 1.818 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(C(=O)NCC)CCC2)CC1 1760257859 LBGDDIMIIFUBRZ-UHFFFAOYSA-N 409.538 1.345 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2nnc(CC)s2)CC1 1760270367 VZAGYDSSFLLENC-UHFFFAOYSA-N 413.551 1.974 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCCCCC1 1760557863 YHLYXMPUWXQSPR-UHFFFAOYSA-N 409.556 1.772 30 10 HDEE CCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1765744253 NLWBLFBGDKSFPH-OAHLLOKOSA-N 415.498 1.466 30 10 HDEE CS(=O)(=O)CCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1770330305 GBHNSPSADSMQEV-CQSZACIVSA-N 414.491 1.590 30 10 HDEE Cc1nccn1-c1cc(N2CCN(CC(=O)Nc3ccccc3C#N)CC2)ncn1 1851445976 UMQVOSBTAHYIIX-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1C#N 1851837122 APRVZVXGEFRVBV-LBPRGKRZSA-N 423.399 1.574 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3nncn3C3CCCC3)CC1)OCO2 1852383637 URWJAWLFBTYICL-UHFFFAOYSA-N 422.489 1.880 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C(=O)C1 1853955084 OMALAXRGJMDOQG-CYBMUJFWSA-N 411.430 1.743 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC[C@@H]3Cn3ccnn3)CCC2=O)cc1 1854191199 VLYIYQQIXRYUAK-VQTJNVASSA-N 406.490 1.622 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)COc3ccccc3)C2=O)C1 1854262407 FCFYDZRJTSYUMK-LJQANCHMSA-N 406.442 1.613 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COCc2ccccc2)C(=O)C12CCCCC2 1854487324 IFXJPKJSJBUCEH-UHFFFAOYSA-N 419.503 1.430 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1854699804 XBTRVFIAYRELBP-CJNGLKHVSA-N 422.407 1.323 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3cn4ccsc4n3)C(=O)C2)C1 1854978458 AAQVERVLSDKFSB-WBVHZDCISA-N 414.535 1.376 30 10 HDEE CON(C)C(=O)C1CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1855765893 PHYZNHXUBIJRBE-IBGZPJMESA-N 412.490 1.811 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1=O 1855823918 DCIBESHISRYLDS-FUHWJXTLSA-N 409.552 1.359 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3cnn(C(F)F)c3)C2)C1 1856384472 LEXWLLSFHCOWTB-LBPRGKRZSA-N 416.388 1.297 30 10 HDEE C[C@@H](CC(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1ccnc1 1856392946 SVGGBPHAEFPKQS-HOTGVXAUSA-N 408.462 1.239 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)C1=O 1856451426 IPLZKGGEGTVZKA-CRAIPNDOSA-N 400.454 1.932 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4cnccn4)C3)C2=O)cc1 1856454109 XDQHTTAPDMZIBC-MJGOQNOKSA-N 405.458 1.880 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CN3C(=O)COc4ccccc43)C1=O)CC2 1856533956 UDYHPINMFUWCKH-RDJZCZTQSA-N 408.458 1.165 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cc4ccccn4c3)C2)CC1 1857062650 NPQVCUUPXPBQEF-MRXNPFEDSA-N 414.487 1.493 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2=O)CC1 1857071051 AOOXHDNGDAQGLU-SFHVURJKSA-N 411.412 1.795 30 10 HDEE COCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933745 ODKJFSRVZHNMAI-MRXNPFEDSA-N 405.451 1.238 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCN(C)C 1870479707 MTEXYZRJPPTGCV-UHFFFAOYSA-N 407.511 1.152 30 10 HDEE CC(C)(C)OC(=O)NCC1CC([S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 1877496375 QSYZPCOFZYYREA-KDFPIBABSA-N 406.530 1.088 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](N=c2[nH]ccc(C#N)c2Cl)[C@H](S(C)(=O)=O)C1 1877659357 NMHPYBQMDIRDAN-VXGBXAGGSA-N 400.888 1.473 30 10 HDEE N#CC[C@@H](O)Cn1cnc(I)c1I 1884122847 UNBJWGBQTOSONJ-RXMQYKEDSA-N 402.961 1.367 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3)c2)C1 1891757475 JNKARHGCDYURFR-INIZCTEOSA-N 410.459 1.766 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010401278 CEYGFAPCECJQEK-KBUPBQIOSA-N 422.331 1.907 30 10 HDEE C=C(CNC(=O)Cn1cc(CNC(=O)OC(C)(C)C)nn1)B1OC(C)(C)C(C)(C)O1 2020860660 REUZBFVYIAXMMR-UHFFFAOYSA-N 421.307 1.607 30 10 HDEE CN(C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1)C(=O)OC(C)(C)C 2174782265 OTLONRQWQATCKL-LSDHHAIUSA-N 402.517 1.034 30 10 HDEE Cn1nc(Br)c(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)n1 2219790845 UIFIPMUNYQODQZ-JTQLQIEISA-N 415.292 1.781 30 10 HDEE CCN[C@@H](C#CP(C)(C)=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2225391923 GEJKLVIYXSCGMJ-GJZGRUSLSA-N 406.485 1.972 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2243383846 FCXRQKAEMVSJKZ-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC1(C)OB(C#CC(=O)N2C[C@H]3CC[C@H]2[C@@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2243429432 CEITXSAJQBZAOF-AVGNSLFASA-N 400.206 1.679 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247918738 MWZIVONFVBZTFD-OCCSQVGLSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2248035655 PLESAQZOVHKXSI-HNNXBMFYSA-N 421.303 1.325 30 10 HDEE O=C(NC1CCC(O)(C(=O)C2=CCS(=O)(=O)CC2)CC1)OCc1ccccc1 2258945517 HSCYVDTWJGUFSH-UHFFFAOYSA-N 407.488 1.901 30 10 HDEE Cc1nsc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n1 2267418718 LITYSRWMMIZBGW-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281823115 WXWWZIHAJJUALU-LLVKDONJSA-N 401.721 1.802 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2281831994 HQLLUHFOFCPUHS-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(CS(N)(=O)=O)C3)c2Cl)OC1(C)C 2282066321 IHPYISZAUYRPHW-UHFFFAOYSA-N 420.749 1.061 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)CC[C@@H]1C 2282306871 UBFVEYIKGLGIES-AAEUAGOBSA-N 400.375 1.856 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282312261 SZIAXMIBAUXMKG-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCNC1 2282330388 YYCJODSFOGCVPM-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CS(N)(=O)=O)c1C 2282574197 LOLRPBMHLBRPTE-VIFPVBQESA-N 402.347 1.071 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282630924 PDEISFHPEWGVMF-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3CN(S(C)(=O)=O)C3)c2Cl)OC1(C)C 2282646970 WHWUSQTWRMZBEB-UHFFFAOYSA-N 420.749 1.074 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282647411 BDLVZJAPMIVEKG-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282833350 HDZQUHYGFRSWHD-QWHCGFSZSA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](CN)C[C@@H]1C 2282834483 VCVIIZKYQLCVRY-WCQYABFASA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H](CCO)C2CC2)OC1(C)C 2282836689 NSMVISGPVFQHJQ-GFCCVEGCSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOC2CCC2)OC1(C)C 2282839657 HDFMQHGBCRLGTL-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE CCC1(N)CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282844147 YVXRVOJAMVZMOD-UHFFFAOYSA-N 400.375 1.737 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@]2(=O)CC[C@H](CN)C2)OC1(C)C 2282847975 HKQXUXRLAWFXAY-NDHGSNPTSA-N 420.387 1.183 30 10 HDEE CCN1CCC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282849230 YACVHZCZDNNFKX-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCCCN(CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284398647 AAURCZPPHNJXEP-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401522 BCSMWCLYUBCYTD-LLVKDONJSA-N 403.331 1.578 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](F)[C@@H](C(=O)O)C2)OC1(C)C 2284410795 DTHNXRTVPPDNSG-GXSJLCMTSA-N 405.278 1.091 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284411935 QGECYSWVWSQKHI-NSHDSACASA-N 401.315 1.531 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@H](c2ccncc2)C1=C(O)c1ccncc1 2296136239 WQLHOAPXKMNDIP-LJQANCHMSA-N 408.458 1.621 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)c1cccnc1C#N 2296366148 GCPSGYZHKUXHRZ-LLVKDONJSA-N 402.423 1.876 30 10 HDEE CCOc1cc(C=NN(CC(=O)O)CC(=O)O)ccc1OCC(=O)N(CC)CC 2322985480 FUIZBFDIAHVBCF-UHFFFAOYSA-N 409.439 1.138 30 10 HDEE NC(=O)CSc1nnc(C2CCC2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331504013 FSOHXQAKFSJJEJ-UHFFFAOYSA-N 418.435 1.685 30 10 HDEE C#CCCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2338815586 ZJRDGVHOJWRBSQ-SFHVURJKSA-N 424.519 1.958 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2339652138 WGYDNGXRYYKVJN-RYUDHWBXSA-N 403.526 1.161 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)c1ncc(I)s1 2342046770 XRCCJULPPIGDLL-VIFPVBQESA-N 410.302 1.979 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2342049179 ROHYFENSFKFJTP-KBPBESRZSA-N 406.485 1.800 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(C)CNCC3(F)F)s2)OC1(C)C 2361656265 DWWYQAKEKLBPKE-AWEZNQCLSA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCOC[C@@H](F)C2)OC1(C)C 2361988803 BXEPADDSNNXCQI-ZDUSSCGKSA-N 405.322 1.547 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2365200859 BYYGVVRKQAEPPB-KXBFYZLASA-N 402.557 1.553 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 7936338 JNEWUBAZRRURFZ-KBPBESRZSA-N 419.459 1.441 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3cc(C#N)ccn3)CC2)CC1 47857484 RMHJSTRLFUTWJE-HXUWFJFHSA-N 418.545 1.981 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2ccc(C(F)(F)F)cn2)CC1 53310133 QZFPRAVUWJSIAI-UHFFFAOYSA-N 402.442 1.639 30 10 HDEE Cc1nn(C(N)=S)c(O)c1[C@H](c1ccc(Br)cc1)[C@H](C#N)C(N)=O 59461799 OBQAEDYPCPDDMO-CMPLNLGQSA-N 408.281 1.508 30 10 HDEE Cc1c(CN2CCN(C(=O)ON3C(=O)CCC3=O)CC2)cccc1N1CCCC1 145558548 AWOAIYAFEAFUCF-UHFFFAOYSA-N 400.479 1.913 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCc2ccccc21)NS(=O)(=O)N1CCO[C@H](C#N)C1 409499644 KRUVAWDOGKJDIW-NUJGCVRESA-N 407.492 1.097 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)c(F)c1 409931142 WRULTGUAHPXEDG-UHFFFAOYSA-N 415.512 1.417 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCC(=O)OC)c(Cl)c2)CC1 434065908 MABOYHFHTUQGFK-UHFFFAOYSA-N 424.885 1.344 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 435887004 FBOBXBKXEUMKJD-GLJUWKHASA-N 408.476 1.384 30 10 HDEE COC(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1C(=O)OC 443313508 PVNQAOBGHYLYJG-UHFFFAOYSA-N 401.419 1.644 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 460384932 JWKMYPSFRKYWID-WMLDXEAASA-N 421.523 1.787 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)CC1 460694726 XXITVALJUMAVAN-IBGZPJMESA-N 404.474 1.549 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 462584731 NDWJOBHNSYZQEE-UHFFFAOYSA-N 406.489 1.702 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)nc1 463951077 ZYYDLJSAEATBSS-XTJCFAPMSA-N 424.460 2.371 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NCC2CCN(CC#N)CC2)cc1 464961782 JPVCNZXVLILKNB-UHFFFAOYSA-N 422.551 1.448 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 475936957 GCRJKFZEQRLFMA-FQEVSTJZSA-N 401.463 1.483 30 10 HDEE C[C@H](CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[S@](C)=O 482940006 ZGDAPACEROJIRZ-QYSRSOONSA-N 405.480 1.795 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@@H]6[C@H]4[C@H]2[C@@H]6C[C@H]53)cn1 488784106 OLKLRAMEDLPDNX-ZXHWEPAFSA-N 402.458 1.769 30 10 HDEE CCc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1-c1ccc(OC(C)C)cc1 503644481 RHUWETNCPQXJFL-UHFFFAOYSA-N 410.478 1.815 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC[C@H]2CCCCO2)CC1 504362639 PXIWZDHGOYOHCP-QGZVFWFLSA-N 406.508 1.533 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 506675180 ZZCRPNIJJYNVGJ-SJLPKXTDSA-N 420.535 1.548 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508923489 UZWLJCRIGAQETG-HNNXBMFYSA-N 400.545 1.982 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](SC)C1 517784648 UDIQNGBWIZBOBZ-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 537894993 ROAXAOZDYFEQPP-OXJNMPFZSA-N 404.511 1.401 30 10 HDEE CO[C@H](C)c1noc(CN2CCCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)n1 546059433 JPTDFBSCAKRFMG-OAHLLOKOSA-N 411.528 1.698 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 569816040 LIZOZHJFKSJLPN-CQSZACIVSA-N 412.541 1.280 30 10 HDEE N#Cc1cc2c(nc1N[C@H]1COC[C@H]1n1nc(-n3cccn3)ccc1=O)CCCC2 585631534 LBTMHKZENWNYGI-ZWKOTPCHSA-N 403.446 1.626 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1cccc(C#N)n1)c1ccc(S(C)(=O)=O)cc1 589796538 WMIFSOFTGFPLDT-LJQANCHMSA-N 401.444 1.565 30 10 HDEE CC1(C)OB(c2ccc(S(N)(=O)=O)c(I)c2)OC1(C)C 694963817 UCDYNTAKEQATKO-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C#N)sc(=Cc2cnn3ccccc23)c1=O 729672431 OCQCZHQMMAXCLO-UHFFFAOYSA-N 406.515 1.172 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C(C)C)nc21 732665360 YYRSXOJCJJQWEK-OAHLLOKOSA-N 424.505 1.843 30 10 HDEE CC(C)(C)c1ccc([C@@H](O)CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 734944286 ATQQIKFYMSYDKC-SISFKGJESA-N 400.479 1.843 30 10 HDEE C#CCN(C(=O)c1nc(C(C)C)n(-c2cccc(F)c2)n1)[C@@H]1CCS(=O)(=O)C1 735463331 IBRQAZVEDDPRGN-MRXNPFEDSA-N 404.467 1.792 30 10 HDEE CCN1C(=O)[C@@H]2CN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CCN2C1=O 752332299 HYSXBFCCSKHRMY-YOEHRIQHSA-N 404.430 1.192 30 10 HDEE Cc1noc(C)c1CCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 753667881 UMMQKOCTQDCVAJ-GFCCVEGCSA-N 404.492 1.858 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1CCS(=O)(=O)C1 758309585 YWAWFMCOBFXZIP-KBPBESRZSA-N 420.478 1.528 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 758641755 MJZNNWPAKDBMBV-HOCLYGCPSA-N 423.491 1.439 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)OC(C)(C)C)cc1 759871253 YFHUDYSZZMBRDZ-KRWDZBQOSA-N 406.504 1.935 30 10 HDEE CN(C)C(=O)COc1ccccc1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760388975 UCHCAJMZGZSWLA-UHFFFAOYSA-N 407.492 1.687 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 765960268 ZYYYBORDOTZUPL-BZSNNMDCSA-N 410.478 1.813 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767884628 MDCGFAVQUJCTPO-UHFFFAOYSA-N 421.507 1.256 30 10 HDEE COC(=O)C1=NOC2(CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)C1 770741135 QZTZNVMTMMGVLL-UHFFFAOYSA-N 409.406 1.455 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774046398 KNUUYWDXZAKHLI-SFHVURJKSA-N 419.503 1.250 30 10 HDEE C#CCN(C(=O)NC[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 776266619 VYAPIZZYKKTLML-WOJBJXKFSA-N 403.548 1.729 30 10 HDEE N#Cc1ccc(C2(C(=O)OCC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)cc1 781398720 BKPTZMCULILRSV-UHFFFAOYSA-N 409.486 1.994 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 783264938 WPRBAXRFDBYAPZ-OAHLLOKOSA-N 407.471 1.299 30 10 HDEE CN(C(=O)C(=O)Nc1cccc(OCC#N)c1)[C@@H]1CCN(c2ccccc2F)C1=O 784804510 SSINRSYWAAHHDX-GOSISDBHSA-N 410.405 1.930 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCN1C1CC1 786973973 VGYLFEYBMVWSLN-MJGOQNOKSA-N 417.460 1.838 30 10 HDEE Cc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1C(=O)N1CCOCC1 787649756 VGUKACIGSQHYAW-FMQUCBEESA-N 412.446 1.322 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc(OC)s1 788615820 GAZDDIBBRQDHST-LLVKDONJSA-N 409.493 1.783 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 793437429 UXGZVNPQVRWAIM-ROUUACIJSA-N 420.554 1.306 30 10 HDEE COC[C@@H](C)NC(=S)NN=C(C)c1ccc(Br)c(S(N)(=O)=O)c1 797400235 SPKOKYBQUZMBPA-MRVPVSSYSA-N 423.358 1.320 30 10 HDEE C[C@@H](C(=O)O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 798742739 SOIMHKBBRAFJPL-GWCFXTLKSA-N 409.324 1.958 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 804162234 VPWANOBWPAPPIZ-OAHLLOKOSA-N 420.441 1.066 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)Cc1cccc(C#N)c1)C(F)(F)F 810562130 WMNLNBFVMYUMMA-LBPRGKRZSA-N 421.397 1.960 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 812090341 IKRJUGRAPUJIBR-IFXJQAMLSA-N 424.477 1.675 30 10 HDEE C#C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 812881353 OVDBHVZPZIYTOH-KRWDZBQOSA-N 418.469 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(CCS(=O)(=O)c3ccc(C#N)cc3)CCO2)C1 814662297 CBPVHWJCZALQNN-UHFFFAOYSA-N 421.519 1.654 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCc2nccnc2C)C1=O 814707909 ZVVNAKSPAHYXCR-KRWDZBQOSA-N 408.487 1.967 30 10 HDEE N#Cc1ccc(NCC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 919628097 QTMJIPUQMKQMBT-UHFFFAOYSA-N 420.469 1.934 30 10 HDEE COc1ccc(O)c(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1 1084038353 XFBPLDSPMLZDGF-UHFFFAOYSA-N 420.480 1.856 30 10 HDEE Cc1nsc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1C#N 1128421276 FGHCFUYXCYNKIK-UHFFFAOYSA-N 412.518 1.587 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@H]1CS(C)(=O)=O 1129171648 HHNQBVXDOALHIT-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2(CC(=O)N3CCOCC3)CCCC2)CC1 1135889650 RRKZLQWMKOVKFS-UHFFFAOYSA-N 411.506 1.411 30 10 HDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)NC)s1)C(=O)OC(C)(C)C 1136145973 DNBRLEMIDWRLEO-UHFFFAOYSA-N 401.510 1.143 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2nnc3ccccn23)s1 1141423085 JIOZUFDPBOUAPK-GFCCVEGCSA-N 405.505 1.675 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCCn1nc2n(c1=O)CCCC2 1141824655 KHBRPDGJVCLYBK-UHFFFAOYSA-N 404.268 1.835 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCN(S(C)(=O)=O)C3)n[nH]2)c1C 1150969319 XSOLSFUCWHOIFH-CQSZACIVSA-N 406.512 1.087 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1158159282 ZWKVSLFDJUQSAI-CFVMTHIKSA-N 417.491 1.623 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(Cn1cccn1)C(=O)OC 1158752823 UADPMOLVGVNRPL-SCLBCKFNSA-N 414.890 1.967 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2ccc(OC)cc2Br)c1=O 1165303568 PJVMXFJTGUUKRG-UHFFFAOYSA-N 408.252 1.363 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C3CCN(C(C)C)CC3)CC2)c1 1192349620 ROATWUPJBBQKRZ-UHFFFAOYSA-N 411.550 1.806 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3ncc4c(n3)CCOC4)CC2)c1 1230664960 PMCZBLBUPYRBMF-UHFFFAOYSA-N 420.473 1.981 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1248486083 UKZCPJXQCYUGIO-LJQANCHMSA-N 424.498 1.501 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 1251104739 PSZHXZPCUQJIMB-UHFFFAOYSA-N 422.533 1.950 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)c1C#N 1252940578 PBHMRBRWNZBFSE-AREMUKBSSA-N 409.459 1.466 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC(=O)N(C)OCC(F)(F)F 1253325029 KYQWTSDDJONFCY-UHFFFAOYSA-N 415.416 1.584 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1254315417 CYYROOIPYZYZEP-KFWWJZLASA-N 400.483 1.689 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(ccc(OC)c3OC)[C@H]2CC)C1=O 1278295698 IMTWVKGIHGIXTE-OAHLLOKOSA-N 415.446 1.516 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286270095 IOZILYSXIUCSJX-HNNXBMFYSA-N 406.490 1.306 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1286323131 ISPSMGAPDWSHKA-SFHVURJKSA-N 421.567 1.336 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286371706 BJARXVIHMIHNCL-KRWDZBQOSA-N 412.469 1.323 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(C)cn1 1286462840 XTEGWBXGGMJQET-UHFFFAOYSA-N 411.466 1.297 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)NC(C)C)CC1 1286492197 DQNWADZNGVOHJR-UHFFFAOYSA-N 416.570 1.747 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCN(C(C)=O)CC1 1286716702 KTNJGZAAQPNTHU-OAQYLSRUSA-N 420.558 1.105 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1S(C)(=O)=O 1286731981 YMUFLCTZRDRAMW-XHSDSOJGSA-N 413.544 1.048 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N1CCOCC1)C1CC1 1286738949 KDVFWBPNAXIZIG-YJBOKZPZSA-N 405.499 1.016 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCS(=O)(=O)CC2)C1 1286809944 WWRYCZRGDUHFIS-INIZCTEOSA-N 418.523 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286818425 WRQYWIQBWINYMS-IAGOWNOFSA-N 422.555 1.494 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286819316 GULZWTXLKOCMGL-AAEUAGOBSA-N 408.446 1.912 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1286906109 DQNMXSQBOPHVKL-IBGZPJMESA-N 412.494 1.321 30 10 HDEE CS(=O)(=O)c1cccc(Cl)c1C(=O)N1CCN(c2ncccc2C#N)CC1 1290434812 VJKHDSOSYKBCBL-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE C[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1291205856 OZDSFUZLRGVBST-NWDGAFQWSA-N 410.525 1.343 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)CC1 1293713102 PHGKFGVYPCNONI-UHFFFAOYSA-N 409.490 1.566 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1298604091 DUSAPESELJLVHP-ICFOKQHNSA-N 418.408 1.353 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1300266783 BEEDUCUPTWMVQK-OXQOHEQNSA-N 420.583 1.082 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1300268248 PVRIYKNUMPIXLH-ROUUACIJSA-N 402.543 1.209 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1300293861 SYTVGCTXHAOMDO-MRXNPFEDSA-N 414.535 1.946 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1300537311 DILYFMDSRYRVFQ-SQGPQFPESA-N 408.458 1.403 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2C)CC1 1300683544 PMXMHTUCWHMHHA-KRWDZBQOSA-N 416.551 1.000 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1301219797 KDJHRHFVFWPATF-MRXNPFEDSA-N 421.461 1.701 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1301273667 IOAMHADXDVPNRO-RMYFCYLKSA-N 400.483 1.545 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1301556822 MQAGAINIKVCVKQ-LJQANCHMSA-N 404.559 1.422 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1301960675 ZNAGJUSDLCOWRW-GDBMZVCRSA-N 422.484 1.630 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1303698522 LIYBWWNNJOPBGO-AWEZNQCLSA-N 403.545 1.776 30 10 HDEE C=C(CN(C)C)C(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1304364338 QQKPVDRDFTTWDR-CQSZACIVSA-N 413.259 1.409 30 10 HDEE CCc1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1306160485 ZSXYAHLFSRDAKL-NXVVXOECSA-N 421.299 1.856 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)[C@]3(O)CCOC3)ccc2c1=O 1306864331 DCZPMPZQNRVHFV-FQEVSTJZSA-N 403.504 1.779 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1309963249 HXBSAFRAUWTUDY-UHFFFAOYSA-N 415.309 1.994 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3CCO[C@H](c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1312470864 QBDJASXMTGXCJY-LKCYJCQHSA-N 407.467 1.626 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1316361187 FQGZRAGGAGGIPM-NDEPHWFRSA-N 404.540 1.555 30 10 HDEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CCC1 1316398425 BAXGHLOWGXLVQP-CQSZACIVSA-N 413.507 1.940 30 10 HDEE C=CCO[C@H]1CCN(Cn2nc(N3CCOCC3)n(C[C@@H]3CCCO3)c2=S)C1 1320887777 HLEMHLKYRVHYCA-IRXDYDNUSA-N 409.556 1.664 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)n2C)C1 1321259877 ONZVWOGTJWEUIQ-LJQANCHMSA-N 410.522 1.554 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(F)c1 1338650544 ADFWLAHQAJVCIS-UHFFFAOYSA-N 415.469 1.343 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1358887018 ONDFEGPWWVHDLJ-HNNXBMFYSA-N 414.510 1.311 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1358918203 NLECLKIMNYBFDA-UWJYYQICSA-N 417.510 1.763 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1358943302 DGGCRBXDRXKIJA-FUHWJXTLSA-N 408.466 1.042 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCCC2)CC1 1359036945 OTGNAHRQDCJZRC-UHFFFAOYSA-N 424.524 1.809 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359070774 UJZBGEZMIRYEOZ-LSJPXJTBSA-N 410.478 1.301 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359081596 HQEUXRWWDAPODB-LBPRGKRZSA-N 424.303 1.864 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1359113398 IDDNHWNBLXWSHY-GFCCVEGCSA-N 411.450 1.576 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359133435 RSHJYLGBMCOVFO-ROUUACIJSA-N 419.526 1.202 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359157260 DOUSUPNAGJYBMJ-KBXCAEBGSA-N 410.906 1.239 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1359292491 QIPMTWDIKREELB-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)Nc1ccccc1CC 1359328286 ZARLHBUJNKONII-UHFFFAOYSA-N 405.524 1.825 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1360197660 ZDWTZYDELYMAMZ-CQSZACIVSA-N 401.515 1.461 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)n2ccccc12 1436261895 LFSSBBBVUDRIJD-UHFFFAOYSA-N 414.443 1.986 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1CCc2c(C#N)cccc21 1436918245 HABGJXRGVQRULI-UHFFFAOYSA-N 418.496 1.579 30 10 HDEE CN(C)c1nc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cs1 1443006665 JPPCJXWIGOMGMT-UHFFFAOYSA-N 407.521 1.374 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)c1 1452713081 LPNBCPRZLBZJGB-ROUUACIJSA-N 407.536 1.380 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1463611198 XKYUZYWSLARKBO-LKFCYVNXSA-N 421.288 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)(C(N)=O)C1 1466878131 MCDOXWUJCGJDRF-UHFFFAOYSA-N 412.490 1.961 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cn1 1467022607 BUCGPDWERNQRDF-CQSZACIVSA-N 408.466 1.859 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)[C@H](C#N)C1 1469728101 FRCQFUGWXXUILH-OWCLPIDISA-N 401.467 1.661 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(Nc2ccccc2C#N)CC1)c1cc[nH]n1 1470615073 HQOVBTAZSRWQHA-UHFFFAOYSA-N 424.461 1.668 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1470671528 HJVCILIWQXTOOR-IBGZPJMESA-N 419.551 1.246 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1471030270 YSDDABALMWFRAK-ROUUACIJSA-N 418.494 1.869 30 10 HDEE C[C@@H](CC(=O)N1CCC2(CC1)CC(=O)C=CO2)/N=C1/NS(=O)(=O)c2ccccc21 1472150865 QOSYQWLCMHHSCH-AWEZNQCLSA-N 417.487 1.368 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1ccc(Br)c(F)c1)C(=O)OC 1475240176 OGDWXYCQBFXJGJ-CYBMUJFWSA-N 410.261 1.752 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCOc2cc(Br)ccc2C1 1478284684 NDAIEUQVJJGRCS-UHFFFAOYSA-N 403.298 1.954 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1502282922 HKWFOFFQSGKFSE-APWZRJJASA-N 407.522 1.968 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1503361177 BCLYURZDWUIDQA-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CC1 1503970380 GAVFTHWWSRZPMN-ZWKOTPCHSA-N 415.519 1.865 30 10 HDEE COCC[C@@](C)(O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1504762829 SWDQPEWMRJCKQY-OAQYLSRUSA-N 414.510 1.898 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1507678462 IEUXMJQUUBTCER-OAQYLSRUSA-N 403.527 1.839 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC2(O)CCN(C(C)C)CC2)CC1 1507722274 SIRUCFQEUVWIHG-LJQANCHMSA-N 402.587 1.782 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCn2cnc3ccccc32)CC1 1507735931 JNCFIIWVXXLDQB-UHFFFAOYSA-N 405.506 1.992 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(NC(C)=O)c2)CC1 1507742798 QGXLNVSWFLKKLY-UHFFFAOYSA-N 408.506 1.813 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnnn1C 1507999378 KCQFUNHHSYPVFQ-SFHVURJKSA-N 417.477 1.470 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1CSC 1508071500 JZTDMCKPHVJBOB-AWEZNQCLSA-N 415.523 1.559 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](OC)C1 1508090223 DXSDSQJKXFWIQY-GOSISDBHSA-N 410.478 1.646 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508142674 UPTJLLJJLOVULL-QZTJIDSGSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1508167319 HPDKMWBSMCFTLI-YLJYHZDGSA-N 423.583 1.954 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1512404057 AVSRCFXWKQDZQT-INMHGKMJSA-N 415.519 1.865 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](COC)OC 1513697275 DWXMMWLIZNWELB-QZTJIDSGSA-N 415.494 1.810 30 10 HDEE CCN(CCCn1c(-c2cnccn2)nnc1N(C)C[C@H](C)C#N)S(C)(=O)=O 1515710514 BPYCLAZTXGPYNL-CQSZACIVSA-N 406.516 1.003 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nncn1C 1519167454 CWLVBEIHYDZZRF-NVXWUHKLSA-N 416.530 1.740 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC1CC1 1519262133 NOINWNMJBZPPEX-HNNXBMFYSA-N 404.515 1.658 30 10 HDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1520530750 PLAGJWISOSYHCZ-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)C1 1521055441 DWZVWRYZKZBJOI-BZNIZROVSA-N 422.262 1.756 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537432262 BKKLYWJZNILXEO-INIZCTEOSA-N 421.500 1.735 30 10 HDEE COCCS(=O)(=O)CC(=O)Nc1ccc(C#N)cc1I 1538266751 WWYCLKUSONGEDP-UHFFFAOYSA-N 408.217 1.163 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1539210311 BKHAYEZOCDYWIE-AWEZNQCLSA-N 421.910 1.145 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1539370056 SMJJUJLLXFQBQT-INIZCTEOSA-N 418.519 1.705 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC(F)(F)C1 1539416474 ONJKLHKPRDXAMH-HUUCEWRRSA-N 416.494 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC)c2)CC1 1539446395 XXYLNQJPWLJZQI-LJQANCHMSA-N 408.506 1.431 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2nnc3n2CCC3)CC1 1539469003 LXUMIXNWYHBAFQ-HNNXBMFYSA-N 410.526 1.343 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539506130 QXKMTTYZGOBXAR-INIZCTEOSA-N 417.560 1.277 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccncc2NC(=O)C(F)(F)F)CC1 1539667431 LXUDTFONJSAOQC-UHFFFAOYSA-N 404.352 1.811 30 10 HDEE C=CC(C)(C)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1540114675 MJSSGUTVHVAUAV-UHFFFAOYSA-N 412.508 1.667 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)[C@@]4(C#N)CCCOC4)CC3)n2)cc1 1540560877 DLXKKHBUYDQXAZ-OAQYLSRUSA-N 411.462 1.710 30 10 HDEE N#Cc1cn(CCC(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c(=O)nc1O 1540738773 BRPGBVQNCTWEPC-UHFFFAOYSA-N 421.457 1.294 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1541097287 DOUHKDLSYJHYLV-HXUWFJFHSA-N 423.521 1.854 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1CC1 1541673903 HIDKIWXWDNLWNM-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1542326100 UBVHQKRYVNOHOT-KPZWWZAWSA-N 401.402 1.277 30 10 HDEE CCCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1547075215 ZCWUMBHKQYHLLH-BBRMVZONSA-N 402.496 1.147 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1547772255 MOQIAWSJNDPIMR-UHFFFAOYSA-N 409.454 1.043 30 10 HDEE CN(CC1CCCC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1554221470 DZOQFKPVZASMAW-UHFFFAOYSA-N 407.482 1.927 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1556465931 CDHHPZPBQSADBG-UHFFFAOYSA-N 422.595 1.268 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CCN2CCO[C@H]1C2 1556736161 YUYPVDYUDIUZCC-REJRIAAWSA-N 418.538 1.705 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 1560083888 CGDSFFASAWVPDF-JXFKEZNVSA-N 404.536 1.778 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1564010728 OPYSYYJYVQKYRQ-KRWDZBQOSA-N 403.479 1.382 30 10 HDEE C[C@@H]1O[C@H](C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1C 1565205550 AVBZXJDMOSNOMU-OIPACUDHSA-N 406.508 1.386 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1nc2cc(Br)cnc2[nH]1 1569488627 QYILJQXUJLMKIR-OWBHPGMISA-N 405.212 1.575 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCOCC1 1574596574 VPGXALVQAUFNGO-ILOCAZANSA-N 403.523 1.509 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1)C1CSC1 1584180010 CBMADVBCRAZLRS-UHFFFAOYSA-N 413.952 1.713 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)c1 1584747261 CCGZECRGBZNUFK-DOTOQJQBSA-N 421.471 1.050 30 10 HDEE C[C@H]1CN=C(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)S1 1586062986 BZBYZEUKCWWSQE-LBPRGKRZSA-N 410.496 1.372 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCS(=O)(=O)CC(F)(F)F 1586835467 HSEZDTAGCMHBTE-LLVKDONJSA-N 415.434 1.667 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1587581271 ZDXGBJBRZNZSRO-VBKZILBWSA-N 415.519 1.285 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3C)cn2)CC1 1588198981 DETXMQWQWXVCLG-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589427269 FZGVCKKHEKWWSV-QGZVFWFLSA-N 405.300 1.874 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1593625380 TUKBHZXXXAWLBY-LSDHHAIUSA-N 412.498 1.203 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1593872379 FZJVVJLDHBFACO-HNNXBMFYSA-N 412.885 1.575 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1 1595784314 DDRXIDWDXZALDE-QGZVFWFLSA-N 405.524 1.802 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1596428354 FARUJBNNXXACAM-DMZKTXOQSA-N 423.473 1.980 30 10 HDEE Cn1cc(CNC(=O)C2CCC3(CC2)NC(=O)NC3=O)c(-c2ccc(C#N)cc2)n1 1611462495 NEXVQPBERIQWMN-UHFFFAOYSA-N 406.446 1.343 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)cc1 1611547354 LTQJGKDRRGRTQV-SJORKVTESA-N 407.492 1.289 30 10 HDEE CC[C@H](C)c1nnc(N2CCNC(=O)[C@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1613341679 AWULHKZZENOTNT-SZFSDLTGSA-N 415.498 1.033 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1 1620166795 JFUWSPCAWRTTOB-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3nc(CN4CCCCC4)no3)cc2C1=O 1623932318 OMZQCYWIFJKVLV-UHFFFAOYSA-N 409.446 1.768 30 10 HDEE COCCOCCc1ncc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[nH]1 1624577175 LAQXPKVOZMSZRY-IBGZPJMESA-N 415.469 1.777 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1627265125 LHSPDBRAHVSASV-ZBJSNUHESA-N 416.441 1.822 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 1629537090 PXYJLJIZLJZINL-SFHVURJKSA-N 403.548 1.888 30 10 HDEE NC(=O)CC1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1630296693 PZXABDRNUBUOQV-UHFFFAOYSA-N 406.508 1.057 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3)C2=O)s1 1632663203 HHTTZNWTWLYGID-MRXNPFEDSA-N 419.528 1.677 30 10 HDEE Cn1cc([C@@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1633112003 MRHSPCKBPUVVRT-YEHZLQJGSA-N 403.483 1.357 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)c1 1634549894 CGGUPKPQYSCWSS-LJQANCHMSA-N 401.488 1.643 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OC 1637693363 HWOOXAAFTZEXLG-CQSZACIVSA-N 403.460 1.016 30 10 HDEE N#C[C@@]1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)C[C@H]2CC[C@H]1C2 1638987013 PZCIZOINRWSWPY-HUBLWGQQSA-N 408.446 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639174878 CWWMUOZHHWFFTG-FTUNRGFVSA-N 409.508 1.030 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2c[nH]c3cccc(C#N)c23)C1 1639974035 UFEAPNYGIXYKAX-HNNXBMFYSA-N 404.492 1.552 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC#C[C@@H]3CCCCO3)CC2)cc1 1640380311 DPSFUGJLIYTGNZ-GMGKOPGTSA-N 411.502 1.589 30 10 HDEE Cc1nnc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)n1C 1640525066 HIIAXMIWZPXGQJ-UHFFFAOYSA-N 416.526 1.423 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1641927298 XNJGWKJTAMWYTD-HNNXBMFYSA-N 423.498 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](O)[C@H](CO)C1 1642400411 DVCYWGDPZYSCRE-CGTJXYLNSA-N 401.463 1.204 30 10 HDEE C[C@](O)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(C(F)(F)F)c1 1648028736 MBHNQDAXCKSUOE-QGZVFWFLSA-N 408.336 1.130 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)CC[C@H]21 1648308079 JIMFONNQCCXGET-NHAYFPRASA-N 416.547 1.588 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2=O)n1 1648939822 AQGXTPSWVXNYHE-UHFFFAOYSA-N 421.436 1.546 30 10 HDEE C[C@@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1649563291 GWOSHMYXHWUMFO-UTKZUKDTSA-N 415.542 1.365 30 10 HDEE N#Cc1c(C(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)[nH]c2ccccc12 1650715202 VTRMDCFGTJJJCM-UHFFFAOYSA-N 407.474 1.616 30 10 HDEE CC(C)(C)n1cc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)c(O)nc1=O 1651573827 DTONAVLUXBHMER-AWEZNQCLSA-N 413.453 1.857 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1652520639 AYPFWHAAKKBSPW-PNPHSEOMSA-N 407.879 1.090 30 10 HDEE N#Cc1ccc(CN(CCO)[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)s1 1656774621 CBJLOUDXVSTMAP-IBSXHGQTSA-N 401.532 1.828 30 10 HDEE C#CC(C)(C)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1657991343 XDMSZWCOBYKYSI-UHFFFAOYSA-N 406.490 1.901 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](CNS(C)(=O)=O)C1 1660058564 DJZSYXUZVRTTME-CABCVRRESA-N 410.565 1.748 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)n1 1672884317 RFTNVQUESLDWJN-UHFFFAOYSA-N 401.448 1.296 30 10 HDEE C#CCN(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1673905245 OJIQQXIDIHYAFF-RBSFLKMASA-N 401.529 1.510 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC([C@H](F)C(=O)OCC)C2)c(C#N)cn1CCOC 1676108651 GOVQJXUNWIXQLJ-AWEZNQCLSA-N 424.429 1.548 30 10 HDEE CN1CCN(c2ccc(CCNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)cc2)CC1 1676882337 XTRULNLOMWXRNR-UHFFFAOYSA-N 424.553 1.432 30 10 HDEE COc1cc2c(cc1CNC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)O[C@H](C)C2 1680532887 RZRQLXBIELPUDT-YFROIQMUSA-N 405.476 1.098 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3CCC[C@@H]2C)CC1 1681375693 ISQADPQZVJXJPS-QFBILLFUSA-N 404.536 1.495 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC2)CCOC1 1683424482 DIGWKSFBSATXDD-DENIHFKCSA-N 412.490 1.595 30 10 HDEE COc1ccc(Br)cc1C[C@H](CO)CNC(=O)NCC#CCN(C)C 1685832233 QRRFWXROTZFKKG-AWEZNQCLSA-N 412.328 1.473 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)C1CCOCC1 1687126367 LWGHAOLWVRKPNE-OXJNMPFZSA-N 416.497 1.908 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1687479140 NUWWGVQGIVTJQZ-IAGOWNOFSA-N 407.511 1.836 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1689852027 YRWNYXMPBZNUFP-JYJNAYRXSA-N 402.524 1.097 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2([S@@](C)=O)CC2)CC1 1690117789 WAMNFDQLWVSGPT-MUUNZHRXSA-N 418.954 1.660 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1690246600 WBLKRCZXUTZWAP-LMMKCTJWSA-N 416.526 1.269 30 10 HDEE C=C(C)Cn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690298350 VMDGMMZXVDXARG-NRFANRHFSA-N 418.542 1.890 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690456211 ZNSGCEZLPDAEET-INIZCTEOSA-N 421.509 1.944 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1690548448 BFJSDQKTQDJGAP-GOSISDBHSA-N 415.586 1.581 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690682019 ATDUSBXXSJOJEK-UHFFFAOYSA-N 412.538 1.846 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)[C@@H](C)C1 1690840070 DLJWDSQWMZNKLW-OYHNWAKOSA-N 421.505 1.352 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)cs1 1693341091 IQPNOUAEAZYXJF-CABCVRRESA-N 403.556 1.950 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCOC 1696338595 YLHROQNFDDTYHA-INIZCTEOSA-N 414.514 1.618 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCN(C)C1 1698057800 OGNIJGPGUXMXLU-JOCHJYFZSA-N 410.522 1.746 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1698058828 NHKCRCFFHHLMAR-NRFANRHFSA-N 410.478 1.989 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)c(C)c1)[C@@H]1CCS(=O)(=O)C1 1705568478 OHEOJRKGADGBJU-QGZVFWFLSA-N 420.510 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N[C@H](C)CC 1705588847 GEFPJRMABDIFHI-QGZVFWFLSA-N 421.505 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1nncn1C 1705601104 YKCJQTZTEUHMAO-UHFFFAOYSA-N 403.490 1.712 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1705603192 KRZNYASLAMFXPF-UHFFFAOYSA-N 412.469 1.543 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1705612657 LQOZRNVYSXTVLH-KRWDZBQOSA-N 407.584 1.762 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1705612725 NGERLBKFTYRYSV-SFHVURJKSA-N 414.531 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1705625025 TXAMADUYTHRFOX-UHFFFAOYSA-N 420.473 1.582 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)C(=O)NCC)CC1 1705641331 AWLKGDNYEBWUOV-UHFFFAOYSA-N 414.579 1.848 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705699285 DZZSEAOCMFKUIL-XDNAFOTISA-N 419.526 1.452 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705699537 IJRLQEKTUJWFCH-GJGATLCTSA-N 419.526 1.451 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC(N)=O)CC2)n1Cc1ccc(C#N)o1 1712530177 JYNBCGDFHNIOEV-AWEZNQCLSA-N 416.482 1.607 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1712634257 ATNLRUBDOHANCS-NWZZKEMCSA-N 419.526 1.672 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722332231 GRMGJYLYYWHGNT-IAGOWNOFSA-N 415.519 1.646 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC1(O)CCC1 1722343602 ILYRZPODILKHBX-UHFFFAOYSA-N 416.551 1.921 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(OCCO)c(OC)c1 1722351205 JTCQMEBELOJVTC-UHFFFAOYSA-N 407.474 1.761 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CC[C@H](CO)O1)[C@H]1CCS(=O)(=O)C1 1722366575 HXWUVKSNMBSUTD-OKZBNKHCSA-N 422.551 1.102 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccsc2)CC1 1722429058 GFXJCYGYMXFOPU-HXUWFJFHSA-N 416.551 1.141 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)[C@H](C)CCC)CC1 1722438526 UOXCIKIMBWTWQZ-QGZVFWFLSA-N 410.526 1.043 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(CC)CCC)CC1 1722446517 ZBUUUNQXLFQIBN-UHFFFAOYSA-N 411.554 1.971 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC(F)F 1722638559 FVNYADQNPVPJCK-UHFFFAOYSA-N 417.420 1.196 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(C)(=O)=O 1722666150 LTGBQRKJZSEEKU-UHFFFAOYSA-N 414.495 1.144 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722727489 OUHFTXHXRIPDHV-OAHLLOKOSA-N 416.569 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(C)C)C1 1722730555 WEHJSROBCBHZOP-MRXNPFEDSA-N 409.556 1.484 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722738326 GECCTXDCBVZJDE-CQSZACIVSA-N 400.570 1.715 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1726722293 GNMUBQXLCKKUGT-INIZCTEOSA-N 424.505 2.000 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1727606376 LZTVUUDAEMBWTN-INIZCTEOSA-N 408.510 1.348 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C1 1730998736 QJOWOTAEHFHOOZ-YJBOKZPZSA-N 415.519 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)[C@@H](C)CCC 1740531379 KTMSLEBPDCEYRZ-HOTGVXAUSA-N 411.510 1.936 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1740600212 IZVVXSNEBPGQDC-NVXWUHKLSA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)NC)c1 1740673733 DYRGJDKNWOQDSO-UHFFFAOYSA-N 408.506 1.462 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C)[C@H]1C 1740953703 OOSFSTWFGKIQGE-LSDHHAIUSA-N 417.535 1.886 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740955281 OSRUCNLFLGPMOH-MSOLQXFVSA-N 424.505 1.503 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(C)(=O)=O)C1 1740977105 CYMCYUMRVARSHA-HNNXBMFYSA-N 420.491 1.500 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(CCCO)CC1 1740989588 RROGSCYGRJCYDP-UHFFFAOYSA-N 419.551 1.930 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1741001092 KWVQXVUSZPHJGM-CABCVRRESA-N 404.540 1.350 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741394411 CWLZCIQMHDGVBF-UDJKBAMHSA-N 424.509 1.687 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCN(C)C1 1744705015 AHSZYHQVOYKWMY-JOCHJYFZSA-N 409.538 1.101 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748682073 PYDBXXSLLMALKP-ORIGZDJFSA-N 410.503 1.915 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748811852 MOKJJDQTQOPSHJ-SJLPKXTDSA-N 415.519 1.393 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1749067819 XXKPKVDPVZREEP-QFBILLFUSA-N 402.524 1.377 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1749476097 XITRQUPUROXMLP-UHFFFAOYSA-N 409.498 1.705 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1749729423 JFOCFPMPVPEAQL-HNNXBMFYSA-N 417.491 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](COC)C1 1749730895 UUXCSZCWFDAXBO-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE COCCN1C[C@@H](Cn2c(CC3CC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1749864606 CLDMSFUBEDNMFU-UWJYYQICSA-N 400.527 1.856 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1=O 1749874858 XVKFYYPQEBAFBU-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1750059558 GGYUHJGHPGGGLQ-QGZVFWFLSA-N 408.466 1.235 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1760114498 NNJLTWBDYOJJOR-ZFWWWQNUSA-N 413.478 1.761 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1760186667 FEGPTFGHVIHPQA-GOSISDBHSA-N 406.552 1.989 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1760248351 JMVKKQOGEYLIGT-KRWDZBQOSA-N 410.526 1.742 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1760278557 YLBNOZJUUSAMBR-GJZGRUSLSA-N 409.581 1.908 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760428370 UVDDYQHZEVESAO-PMPSAXMXSA-N 415.535 1.762 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 1761037133 USAKBGUSRLVMHA-JKSUJKDBSA-N 423.525 1.132 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1761258302 OQRGXPNOYHXBDU-JKSUJKDBSA-N 410.434 1.455 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1764487316 BSTSUWVQGRIMCA-YLJYHZDGSA-N 410.522 1.957 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769210880 IHKDTPCJWGXKFI-GJZGRUSLSA-N 412.494 1.990 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1770164637 QZTMUAOXSXOWPS-SFHVURJKSA-N 406.418 1.111 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nncn1C 1771169961 XLQWXGYLMRZWPR-HNNXBMFYSA-N 410.482 1.687 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1771238921 SBNUMLFOEKKPLS-HOCLYGCPSA-N 413.482 1.294 30 10 HDEE O=C(NCC#CCN1CCCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1850075487 VKCPOZFXPAYRMJ-UHFFFAOYSA-N 419.547 1.317 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3cc(-n4cccc4)ncn3)CC1)OCO2 1851161552 OLSYYLSIMAMHEF-UHFFFAOYSA-N 416.441 1.759 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 1851820997 RUGWSWMSMUYXAL-UHFFFAOYSA-N 405.867 1.124 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2noc3ccccc23)C1=O 1853827786 FRGVIMHWKSGXNL-ROUUACIJSA-N 410.474 1.607 30 10 HDEE CS(=O)(=O)[C@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1854030076 PIOMUYGQZOUPBV-CABCVRRESA-N 423.922 1.514 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1854032618 ZINHXOXSBDWUHQ-RTBURBONSA-N 417.531 1.517 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ccncc4)C3)CC2=O)cc1C#N 1854239568 FOGAGLJQPYWNGF-NRFANRHFSA-N 403.486 1.821 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855607270 JGMGPCYTQZJJNR-ZWKOTPCHSA-N 403.523 1.431 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccncc2)CC1 1855846626 SXJUCHPMWYZSAG-UHFFFAOYSA-N 410.455 1.735 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O 1856147678 SNZQBKPIVTUHPR-SFHVURJKSA-N 406.504 1.637 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)CC(F)(F)OCC)C2=O)CC1=O 1856238567 LKONTBFPDOUZBC-CABCVRRESA-N 401.454 1.490 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1 1856264130 PTLJSXWVVLIZSO-QGZVFWFLSA-N 407.474 1.354 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cccnc3O[C@H]3CCOC3)C(=O)C2)C1 1856840303 VIZCRFOHSYIEIG-MSOLQXFVSA-N 414.506 1.184 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3cnc(C4CC4)cc3=O)C2)CC1 1856984258 XTYLCJHJDRDFBL-QGZVFWFLSA-N 411.506 1.512 30 10 HDEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)cc1 1862558274 VPDPQLIDQDUNCW-LJQANCHMSA-N 409.442 1.992 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868599404 XXCMSNWNFXJEAR-HKUYNNGSSA-N 420.531 1.445 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCOCC)ncnc21 1875228468 PTLSIRFJKYPSEO-UHFFFAOYSA-N 416.526 1.206 30 10 HDEE CCn1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n1 1889275045 NZTHDBFMRNRZIP-UHFFFAOYSA-N 401.555 1.554 30 10 HDEE CN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCOCC1 2174779600 KZPJSZUWGSXXFX-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@H]2C 2174787592 VUAQAXLMMGRRPZ-BULQSVBWSA-N 401.529 1.916 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195307812 CQPQQCSMGULVSH-CQSZACIVSA-N 403.545 1.501 30 10 HDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247917959 MUYMLJBKUABPSJ-TZMCWYRMSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055053 KDCPYYYGZZMUBN-OLZOCXBDSA-N 418.303 1.561 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056385 QBBKUBUZVNQFTK-CHWSQXEVSA-N 418.303 1.419 30 10 HDEE CC1(C)OB(c2occc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248587584 RMGMKYJPUMNYCL-MRXNPFEDSA-N 415.251 1.979 30 10 HDEE C[C@@H](C#N)C1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270517946 ZVBXJYVOTBUEJD-WMLDXEAASA-N 423.491 1.567 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2COCC2(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282306547 ORQSCPCUXQKFKC-JTQLQIEISA-N 409.285 1.668 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282323182 WWRIBYAZYLRSJL-RUZDIDTESA-N 405.322 1.172 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCS(C)(=O)=O 2282323906 IILSBMPJXGJNOA-UHFFFAOYSA-N 423.387 1.021 30 10 HDEE CN([C@@H]1CCC[C@@H](N)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337383 LAAYUYIFGPSQOP-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE CC(C)(N)[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282339633 ZJSFIXGGPIKNCD-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282500675 MFFNGNXFTRLGNQ-VWLOTQADSA-N 401.359 1.174 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282545221 HIUXUMUYTGTNHJ-UKRRQHHQSA-N 405.304 1.333 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]2CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282827782 DCBOHSBZGZNUQI-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2C[C@@H](CN)C2)OC1(C)C 2282828110 IVZHNWCDMJFPIA-TXEJJXNPSA-N 400.737 1.655 30 10 HDEE C[C@H]1CC[C@@H](N)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836038 DVFFYPUNAJWZNK-NWDGAFQWSA-N 401.363 1.084 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCC=CO2)OC1(C)C 2282838094 JDWMWLOAELJLSH-LBPRGKRZSA-N 400.331 1.554 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282839518 FJYUKTHVUAOXSP-OLZOCXBDSA-N 401.359 1.713 30 10 HDEE C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852827 UUZNKBXYELCDSE-TZMCWYRMSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(F)(F)C[C@@H]2CO)OC1(C)C 2282884084 JSGVQLDKNVPTSV-SNVBAGLBSA-N 409.285 1.438 30 10 HDEE Cn1nc(Br)c([C@@H](O)[C@H](N)C#Cc2cccc(Br)c2)n1 2296226635 HHOZGPDFCDIMLG-PWSUYJOCSA-N 400.074 1.753 30 10 HDEE C#CCCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2316793174 VBQDNHUQCMHBRW-KRWDZBQOSA-N 410.492 1.869 30 10 HDEE Cc1ccc(O)c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329014361 LIJVITGNLKLLHP-CQSZACIVSA-N 416.507 1.476 30 10 HDEE COC1(C#C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363526280 KBVZAGMWMCCLTC-HOTGVXAUSA-N 401.525 1.638 30 10 HDEE Cc1csc(C#C[C@@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n1 2363678194 TWDZDDAJXAOSFD-KGLIPLIRSA-N 414.549 1.977 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)COC1CN(C(=O)OC(C)(C)C)C1 2365207636 PUDAEZQBKSXOLS-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE COC1CC([C@H](O)C#CC2(S(C)(=O)=O)CCC2)(N(C)C(=O)OC(C)(C)C)C1 2367787833 ZPMREGDTIMNNTH-XAUUPUKJSA-N 401.525 1.733 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367826480 YUUPRLKZYBMYHH-PMPSAXMXSA-N 400.541 1.306 30 10 HDEE C[C@H]1[C@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1O 2370704447 DUTCASSALVRGIA-RWMBFGLXSA-N 401.359 1.827 30 10 HDEE Cc1nnc(O)n(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1=O 2377269039 MLHDXVDCWXFUQF-UHFFFAOYSA-N 422.088 1.762 30 10 HDEE N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 7067523 ORRBBTLZIYQWAV-GOSISDBHSA-N 403.435 1.841 30 10 HDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(CC)ccc21 13789701 NYTSENWNUYWLPZ-FMQUCBEESA-N 405.545 1.997 30 10 HDEE N/C(=N\N=C\c1cc(Br)c(O)c(Br)c1)c1nonc1N 17082792 ODXGWKQCSVHDAE-CRKCGEKBSA-N 404.022 1.622 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cn1 20827723 GYGGSMYZQBZEBL-YAXRCOADSA-N 406.501 1.403 30 10 HDEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254820047 TWZKDOXSDLSSDK-HOTGVXAUSA-N 411.549 1.781 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 254871523 ZTSBKYPYOTZJOB-NWDGAFQWSA-N 404.416 1.431 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3cccnc32)CC1 435618590 UIZIMERWWOSMIO-GOSISDBHSA-N 410.499 1.906 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1NS(C)(=O)=O 438056407 HTVDHQKKQQZLNE-UHFFFAOYSA-N 414.491 1.987 30 10 HDEE Cc1c(NC(=O)C(=O)NCC2CCC(C#N)CC2)cccc1C(=O)N1CCOCC1 443342748 HQYQLMFNFYOGMQ-UHFFFAOYSA-N 412.490 1.852 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc(F)c(CN(C)C)c1 464960485 KELDTORWRKPCAA-OAHLLOKOSA-N 411.485 1.969 30 10 HDEE CCC1(CC)CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC[S@]1=O 469892568 WLLGQZKYUUQEKL-IYJVBRSBSA-N 411.549 1.375 30 10 HDEE CCNS(=O)(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 507326482 NMQFDETWYNXKRF-LJQANCHMSA-N 409.508 1.863 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 511312236 AZQUTUKKZVUDKO-XHDPSFHLSA-N 405.929 1.598 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 511362496 LCOSZJCELSLKIB-ICSRJNTNSA-N 400.523 1.784 30 10 HDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 530909176 KWGQXXLLZJBTBP-UHFFFAOYSA-N 414.443 1.542 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C2CCN(S(N)(=O)=O)CC2)n1 542069614 GAZZWOWSJGXPKU-UHFFFAOYSA-N 408.871 1.251 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)cc1 545463215 SSNRPFGKKQIWNR-LJQANCHMSA-N 403.486 1.959 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cc21 545478266 UHAGBCUESOGBSK-UHFFFAOYSA-N 411.487 1.373 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2cccc(C#N)c2)CC1 551472419 SQPSFWXIAIRSGB-UHFFFAOYSA-N 413.503 1.498 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CCCC2)n1 559028545 AEODRFUZFSOAPM-MRXNPFEDSA-N 415.881 2.393 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 603798005 HWJZKAFSYJGFMD-KRWDZBQOSA-N 409.511 1.179 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)CC1 604436028 YIIWURCVYGATQA-HNNXBMFYSA-N 412.446 1.714 30 10 HDEE N#C[C@]1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 615630643 CLMOUZUIUQCHLK-KBXCAEBGSA-N 409.439 1.042 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)CC1 619202862 FHCRTFGYHWULGX-UHFFFAOYSA-N 416.887 1.165 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCOC)c1 730144700 QTZPLIPIWANUBR-KRWDZBQOSA-N 402.520 1.314 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 731861010 FXYQPZBUDLLLDB-LCIOQVQZSA-N 402.838 1.336 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(Cn2ccccc2=O)cc1 732454360 WOXFWCZJBQZLEM-MRCUWXFGSA-N 421.457 1.222 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732464865 BRFHCQCYOTYWEY-LTDXQCTPSA-N 405.499 1.239 30 10 HDEE C#CCNC(=O)c1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1 732912792 UMFLYHLZXMUGCA-UHFFFAOYSA-N 420.516 1.139 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)ccc21 747335872 JZJQQBYHFINURY-UHFFFAOYSA-N 417.469 1.980 30 10 HDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1 751682032 URSNPECTMJCCDE-YOEHRIQHSA-N 420.535 1.484 30 10 HDEE C#CCN(CC#C)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 752150348 TWVCRCURTZAGDH-UHFFFAOYSA-N 407.448 1.099 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765898721 JPMXCXLOEWPUND-DYVFJYSZSA-N 403.460 1.083 30 10 HDEE O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCCN/C(O)=C1/N=CC=CC1=O 768077287 CAQAXWZGVPGYQN-MRCUWXFGSA-N 413.430 1.453 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(CCC)[C@H]2CCCc3cccnc32)c1=O 774609529 ILAMMKIPFFBCNF-SFHVURJKSA-N 411.506 1.686 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 780205518 MWIQYORTEHUPQZ-NRFANRHFSA-N 409.442 1.606 30 10 HDEE Cc1ccc(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)cc1C#N 799612851 FFYOLGXXYFVUEC-UHFFFAOYSA-N 414.267 1.521 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCCO1 812302015 RXABRVLVMCYPRI-GOSISDBHSA-N 412.515 1.991 30 10 HDEE C#C[C@@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812748069 MOEPHCULCBQDCK-QGZVFWFLSA-N 405.407 1.845 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](NC(=O)OC(C)(C)C)C(F)(F)F 813499782 BGSCSQKMQKVIJF-NSHDSACASA-N 404.393 1.710 30 10 HDEE CN(C)C[C@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918378504 SUHLRNDCCJZXRY-KRWDZBQOSA-N 414.531 1.404 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)cn1 1125102228 QJKPCIUZRFVUAJ-UHFFFAOYSA-N 411.437 1.934 30 10 HDEE Cc1c(C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cnn1CCC#N 1125419786 CIIFBDZPZKOLMY-UHFFFAOYSA-N 410.478 1.420 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2cnn(CCC#N)c2C)C1=O 1126842289 HYSQRWYMZZBVBG-CQSZACIVSA-N 401.448 1.489 30 10 HDEE CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)C1 1129175774 PDJSRXBBLNMWDU-LSDHHAIUSA-N 416.544 1.456 30 10 HDEE C=CCCSCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1130881733 NHNXRMUYHUGDAB-UHFFFAOYSA-N 414.549 1.755 30 10 HDEE N#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1140740072 YEXGJBZFVVYDOP-CYBMUJFWSA-N 405.398 1.107 30 10 HDEE COc1ccc(CN(CCO)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1153284699 GKLBSGMMESCPFT-UHFFFAOYSA-N 417.487 1.440 30 10 HDEE C=CCC[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1157761140 RDNAFRFKOAZYLY-KLHDSHLOSA-N 416.540 1.100 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1158771156 FNDRGHUXORRQQU-UONOGXRCSA-N 415.446 1.544 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1191302461 VCSBIOZBTSIEBK-KRWDZBQOSA-N 405.520 1.768 30 10 HDEE CNC(=O)[C@H]1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(OC)cc2)C1 1195307740 WNGAIABREQYJCN-INIZCTEOSA-N 409.490 1.981 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)oc1Br)C(=O)OC 1213384751 CSWWBYFZGPBVKU-QMMMGPOBSA-N 410.242 1.615 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1286323302 IRZUZSAKWNKLJV-KRWDZBQOSA-N 400.527 1.775 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCCNS(=O)(=O)CC 1286425083 CHDHDCGSLOGHDY-UHFFFAOYSA-N 417.510 1.877 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC[C@@H]1CC 1286465714 RCXJBHRTJBHOFA-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CC(C)(C)O)CC1 1286477001 MUVHISOAQWETNA-UHFFFAOYSA-N 405.506 1.657 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(CCC)CC2)CC1 1286478578 DMOCNOMYKAEWHK-LJQANCHMSA-N 413.570 1.106 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286702549 SPXVQRNOPKJSPK-QGZVFWFLSA-N 404.540 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1 1286818772 NOOOHEHAVGBPFS-UHFFFAOYSA-N 400.508 1.916 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1286950972 OUXHJKYENRUWEN-CQSZACIVSA-N 408.470 1.185 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1288168008 HZDYGZPZWIEVKL-INIZCTEOSA-N 403.531 1.410 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)COCCO2)n1 1290629581 TUSFDCJDKZPYPO-RTBURBONSA-N 403.462 1.387 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(Br)nc2n1CCCC2 1293032478 MHBNKRJXHJQPEQ-QINSGFPZSA-N 408.256 1.238 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N(C)C(C)=O)CC1 1294879887 HIJCJNOFLUWIIU-UHFFFAOYSA-N 423.521 1.790 30 10 HDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1298037372 HIEVZZSECCHRJH-WOJBJXKFSA-N 421.505 1.798 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1298482774 CDULOERLAQCDFQ-UHFFFAOYSA-N 410.268 1.958 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1300325327 XVILLHVCKINQBX-VGOFRKELSA-N 413.522 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1cn[nH]c1 1300665890 RJJIIRNQJFKIQW-UHFFFAOYSA-N 408.462 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(CC)C2CC2)CC1 1300731932 IVDNSXQPVSXFRX-LJQANCHMSA-N 414.554 1.580 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)CCS(C)(=O)=O 1300766137 UOVBAAPVDVSSMK-UHFFFAOYSA-N 410.540 1.855 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)COCCO2)C1 1301536221 SFAYPSDKRQIBHW-UWJYYQICSA-N 421.542 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1301585801 BKPPAOIGVCPTBK-AEFFLSMTSA-N 419.551 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](Cc2ccccc2)C1 1301587088 LYLZXRZKGDWFAU-GOSISDBHSA-N 404.536 1.889 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1301610230 TYCSBRIXZQOWLG-MRXNPFEDSA-N 416.555 1.657 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@H]21 1302495656 RYAFCUWXMLSAGP-IAGOWNOFSA-N 400.508 1.745 30 10 HDEE COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1303149128 QNQOEPIRAZKXSW-KXBFYZLASA-N 405.476 1.212 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1OCCC1(C)C 1303824721 ZTJJAROTQFNVJE-DZGCQCFKSA-N 410.544 1.443 30 10 HDEE CC1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1305082496 IDAARFIINJEVTQ-ZPHPHTNESA-N 410.482 1.441 30 10 HDEE C#CCCCS(=O)(=O)N[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1309860612 SPPSCZUSKCQVGA-HNNXBMFYSA-N 402.513 1.508 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CCCn4nccc43)CC2)cc1 1313197341 KMZKUTJVTSORRN-KRWDZBQOSA-N 414.491 1.306 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(N)=O)c1 1314914784 AUHKKONTLQADPK-QGZVFWFLSA-N 405.462 1.354 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CC1 1315055102 XAQGIQBOIDOAOK-UHFFFAOYSA-N 421.461 1.928 30 10 HDEE COC(=O)c1ccnc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 1354818560 RDCMKTYKHFSKQD-OQKWZONESA-N 416.459 1.933 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1358977505 NQJYJUVIOGXACF-INIZCTEOSA-N 408.531 1.880 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1358977644 RKTCAEQSEIVEJY-OAHLLOKOSA-N 414.510 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COC2 1358997172 HQUWDNMCLMLYAO-UHFFFAOYSA-N 403.486 1.942 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1359007845 YCHTXAMCNXFPGA-MRXNPFEDSA-N 422.489 1.550 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(N(C)C)CCOCC2)CC1 1359043816 JWMKFQBTOCFQJA-UHFFFAOYSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1359051427 WCQKPJPMUXFZAM-UHFFFAOYSA-N 414.535 1.782 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCOCC2)C1 1359060334 RUIBNTWAAONWIX-UHFFFAOYSA-N 419.551 1.153 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1359070835 WHJGMHCALBTAPB-FXAWDEMLSA-N 416.551 1.539 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@H](F)C1 1359282074 QJIBVKDRWFOYTC-ARFHVFGLSA-N 400.520 1.957 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359297043 CHAYMLFAYRZPFF-INIZCTEOSA-N 411.510 1.527 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2[C@@H]2CCCOC2)cc1 1439925198 VRQUPXZPNSYEAW-OAHLLOKOSA-N 403.464 1.679 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1 1449451223 HSYMSXWYJGLHMC-GOSISDBHSA-N 401.444 1.628 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CC1 1455927234 OKJDXAZERVETIW-FQEVSTJZSA-N 401.463 1.392 30 10 HDEE COc1cc(N)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Br 1456203553 BJEBYJQDDIVFKU-VFZGTOFNSA-N 414.281 1.050 30 10 HDEE C#CCO[C@H](C)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1456394305 RFDJKFCPQPFGGB-OAHLLOKOSA-N 424.519 1.259 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cc(F)ccc1F 1457183350 AKMWLYREQLLDOO-DIFFPNOSSA-N 409.414 1.353 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCOC[C@]2(C(=O)NCC2CCN(CC#N)CC2)C1 1465128355 ZIKHOIUFCRLDLI-LAUBAEHRSA-N 406.527 1.612 30 10 HDEE C=C(CCN(C)C)C(=O)NCC(=O)Nc1ccc(I)cc1 1467979073 MZJMDVLXFXCDNH-UHFFFAOYSA-N 401.248 1.854 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1468144272 HLNYRBSYNUCHPG-NQYYFHDYSA-N 408.520 1.394 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](O)[C@@H](CO)C1 1469080369 ADKVZIQPPREOLH-OCCSQVGLSA-N 413.268 1.300 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@](O)(CC#N)C1 1469406348 SVEYYZSDAORQNJ-CRAIPNDOSA-N 406.464 1.323 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](C(=O)OC)[C@H]3CCOC3)ccc2c1=O 1472632952 BDAIHXBKYVPTHV-ZFWWWQNUSA-N 417.487 1.427 30 10 HDEE C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494419619 DZEQRPZKVKFTGA-DNTCVELPSA-N 423.477 1.015 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@]3(CCOC3)O2)CCOC1 1502628410 QURIQLWSEBJENA-HRQSHJORSA-N 419.526 1.864 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1505046795 BCUGFMDKHJBXBW-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507594698 IDZQGJHVQGGWRU-ICSRJNTNSA-N 416.570 1.607 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCC1 1507644981 QTBPIRUNDOVPBO-UHFFFAOYSA-N 412.515 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1507667008 IFHYIDXTTVWMFF-UHFFFAOYSA-N 424.505 1.191 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOC)C1 1507782588 LFUXEGJCEFPSNN-AWEZNQCLSA-N 411.304 1.829 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N1CCOCC1 1507816619 MLKIABHLNFYMRS-UHFFFAOYSA-N 416.482 1.267 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC)C1CC1 1507992356 CDDPBIHDXAHLKH-HZPDHXFCSA-N 413.544 1.191 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1508062850 QVEGNPAVBAVINF-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508070734 CCFAVACOWCGRDF-CVEARBPZSA-N 418.542 1.362 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)CN2CCOCC2)C1 1508125650 DSMGBRVCLXBPJQ-GBESFXJTSA-N 405.543 1.879 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](CC(C)C)N(C)C 1513406484 BNQDJGSJRVXJDQ-ROUUACIJSA-N 419.574 1.902 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1517619947 DHUOZBUHTONLCO-MRXNPFEDSA-N 418.523 1.162 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519636148 FCWNNBOTGJZNQH-BPFYBUMWSA-N 415.519 1.438 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn3cccc(OC)c23)c1 1528412006 JKYSKAGJWCNSHJ-UHFFFAOYSA-N 418.453 1.830 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)Nc2nc(Cl)c(C#N)s2)CC1 1532398186 MVLZBAHFUWUPDL-UHFFFAOYSA-N 400.888 1.945 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc2c1OCCO2)[C@H]1CCS(=O)(=O)C1 1537469562 YEHVFTWAAKNPFH-LBPRGKRZSA-N 414.277 1.483 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1539022192 NQIQKAMTEYMZGA-UYAOXDASSA-N 423.565 1.665 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539219407 JRHRRHDSDLJAES-NVXWUHKLSA-N 420.510 1.670 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)COCCO1 1539299367 IRVFIPPHJIOKSQ-SFTDATJTSA-N 402.495 1.199 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCC3(C#N)CCCCC3)cc2S1(=O)=O 1539419900 LMWLYSBOSCMMBI-UHFFFAOYSA-N 405.476 1.681 30 10 HDEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539841232 CRMVJXNDQNPYQU-MRXNPFEDSA-N 402.524 1.778 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1540779939 HSZADZWOIKAGRU-QRWLVFNGSA-N 403.483 1.944 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@H](OC)C1 1540863878 IDHVFZJTVCWYIL-INIZCTEOSA-N 407.478 1.863 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540870256 IQPKTTCVENCOAW-HNNXBMFYSA-N 401.471 1.507 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccnc2C)C1 1540881150 AAHXUPNKQKOZHR-QGZVFWFLSA-N 411.510 1.637 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1540890281 CCZDSXQBJGLCCA-OALUTQOASA-N 403.527 1.822 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540902002 XKFWNFKKNSJUFD-HNNXBMFYSA-N 406.512 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1C(C)(C)C 1540909030 VLFXHKSYVWETKR-CVEARBPZSA-N 412.556 1.561 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)c(C#N)c2N)cc1 1545163902 SHFJPPYYHSTNRT-HUUCEWRRSA-N 417.535 1.753 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccncc1)C(=O)OCC 1545242682 YIGHGCIHEDOGMY-IAGOWNOFSA-N 403.479 1.979 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546601568 CNDSLCOKUPDOSR-IHCANNCPSA-N 414.510 1.933 30 10 HDEE CCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1547036355 GHDOWFDIRHAQEF-SJORKVTESA-N 412.498 1.311 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1554304603 BEKNSVBOVYESRW-OAHLLOKOSA-N 408.484 1.018 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1555636029 FRHGPLHBKGRPCP-OXQOHEQNSA-N 422.505 1.847 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCCO)C1 1555984336 QNQNIAPBDAEHMG-IBGZPJMESA-N 401.446 1.920 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OC(F)F)c2)CCO1 1555995715 SAUMXABWMLNHOC-UONOGXRCSA-N 406.393 1.903 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CCCCN3CCO)CC2=O)cc1Cl 1556714867 SKAIRMMAVBVSFN-NVXWUHKLSA-N 404.898 1.528 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]1[C@H]1CCCO1 1557271970 VSROXMISNSSGKY-BRWVUGGUSA-N 405.520 1.969 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN(CCOC)C(=O)OC(C)(C)C 1564498149 ZWJFLXSYJHSXGP-UHFFFAOYSA-N 413.515 1.856 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)Cc2ccc(Br)cc2C#N)cn1 1566433572 SVRIWSUFJCHFFB-INIZCTEOSA-N 422.283 1.553 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)c1 1585364141 OFPGHSZRQKRFBZ-UHFFFAOYSA-N 401.492 1.143 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1588138511 DWDRWKZOQYHIJJ-RTBURBONSA-N 417.579 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2n1 1588170915 OYHSQIBCWUXRIP-UHFFFAOYSA-N 415.501 1.867 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCn1cncn1 1588200501 SCSLVGAOZXDHJS-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1588280123 GPNVMRVGYPGRNY-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1OCCC1(C)C 1588629070 WEWQGPWMPFLPQR-QGZVFWFLSA-N 415.494 1.907 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1595302638 CMFTUMKTLVNWQW-OAHLLOKOSA-N 423.539 1.726 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCOC1 1607762287 RXKTYKQUAGTVEG-IIAWOOMASA-N 419.865 1.506 30 10 HDEE CCN(CCC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1615608380 FGXGCZLRRCJGNP-CZIZESTLSA-N 424.509 1.831 30 10 HDEE CNC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ccccc2C#N)CC1 1618795241 GMFFAISTDRIHRB-UHFFFAOYSA-N 418.505 1.998 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCCC1 1620025263 OQCDVOGSUCFUQT-MSOLQXFVSA-N 406.531 1.607 30 10 HDEE C=CC1(CC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1625006200 QHWPJUZSFWKZDO-OAHLLOKOSA-N 415.556 1.730 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1626077703 UITATEBANGOAPM-UONOGXRCSA-N 423.466 1.669 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)CC1 1626209740 GHEGLJMLROBCDS-UHFFFAOYSA-N 418.519 1.215 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N[C@]3(C#N)CCSC3)cnn2c1 1626566697 HHEXAEVXZAKLDW-IBGZPJMESA-N 416.507 1.926 30 10 HDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1627013814 KSKKFSRHOGUZCF-FMQUCBEESA-N 401.419 1.200 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncnn1C 1627590212 VTXVJZGDGDCGTP-HNNXBMFYSA-N 418.523 1.161 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 1627895199 FBAOJQHNXLKWBV-ROUUACIJSA-N 402.495 1.871 30 10 HDEE Cc1sc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1Br 1627940518 LSJVNYSZQDUHDP-UHFFFAOYSA-N 415.294 1.891 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 1628482347 ZQACGURYFNIWJT-GOSISDBHSA-N 400.523 1.403 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)s1 1629167839 AMUYLOPPFJPIIJ-GJZGRUSLSA-N 415.581 1.370 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1629537328 WIMPPWMLYGLBMM-ROUUACIJSA-N 419.547 1.266 30 10 HDEE C#CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1630401431 BUIOICPTNFZSGA-SFHVURJKSA-N 417.531 1.172 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1631187059 MFFOGBIYZFLQCH-ZWKOTPCHSA-N 408.520 1.591 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635416017 XXXQLPQHKWHIRU-UKRRQHHQSA-N 419.532 1.785 30 10 HDEE C=CCN(CC=C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1636741210 XFZRDZGOCTXUFY-UHFFFAOYSA-N 422.551 1.531 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(N)c1 1639556432 MELWPIDCUBHAGY-UHFFFAOYSA-N 412.515 1.938 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)C[C@H]2Cc2ccccc2)c1 1639818285 GBOJJISXXCKARB-HXUWFJFHSA-N 411.527 1.597 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)cn1 1640012756 KOOVRYBAGCEWDQ-BEAPCOKYSA-N 408.380 1.118 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1641574286 JJPYRPOEBMZJDQ-AEFFLSMTSA-N 406.529 1.350 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 1642570418 HLFQMMROSZDTBV-IRXDYDNUSA-N 400.589 1.154 30 10 HDEE C#CCNC(=O)CN1CCN(CCC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 1643215516 BBRVZSOCZAHIOA-UHFFFAOYSA-N 422.913 1.053 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(NC3CCOCC3)CC2)cc1 1643362788 AEVDYTIBXIFJFE-UHFFFAOYSA-N 420.535 1.252 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1643854480 NPHMTTDKAFAJDO-CQSZACIVSA-N 408.480 1.565 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)CC1 1644428806 KYEYMANOJLZCKA-QGZVFWFLSA-N 404.532 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1645997750 MVUHSJNWCNRVIL-ZRGWGRIASA-N 411.524 1.420 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1646202865 YRARKKUEYRJKMK-CFVMTHIKSA-N 417.491 1.623 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H]2c2ccc(Br)cc2)C1=O 1646298509 KUXBRDIUTYSGDS-ZDUSSCGKSA-N 406.236 1.699 30 10 HDEE N#CCSc1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1648279857 PIFUZTSDVVAUMR-TXKKKEFDSA-N 407.517 1.243 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)n(-c2cccc(F)c2)c1C 1648637569 AFXVWJGZKZUGRM-IRXDYDNUSA-N 414.481 1.966 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CNC(=O)c3ccccc32)c(=O)c1C#N 1648750433 SECQMEVYJAUPJK-CQSZACIVSA-N 415.247 1.697 30 10 HDEE O=C(c1cccc(C(=O)N2CCCC2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221238 SNVRSHIWZWNQAE-UHFFFAOYSA-N 422.441 1.835 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1F 1655295643 OFBAXQCZCZXYEJ-XHDPSFHLSA-N 408.904 1.354 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c(C#N)c1=O 1655673114 XFYWRCOWWIHUQA-GOSISDBHSA-N 401.426 1.754 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)c2cc(C)n(CCC(C)C)c2C)c1=O 1656136850 FAVGKRYHSHPFLA-UHFFFAOYSA-N 414.506 1.891 30 10 HDEE C=CCS(=O)(=O)CCNCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1656990629 VGRJTFCNIKQJLK-OAHLLOKOSA-N 413.544 1.541 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN[C@@]1(CO)CCCN(Cc2ccccc2)C1 1660104600 ZXGCBGZOCBOOBO-VWLOTQADSA-N 417.509 1.903 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)C1CCOCC1 1669261849 YFGQZILTDGWFIG-GOSISDBHSA-N 400.479 1.949 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 1672383809 KDXKWWPKXYBVCP-UHFFFAOYSA-N 404.496 1.960 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1680304668 WEPBULDMNMDPGK-FAEJEUNOSA-N 414.510 1.405 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 1681187713 FJJHQBNBMQTFDE-OWCLPIDISA-N 403.483 1.869 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)cc(OC)c1OC 1683367429 PAUNGRDSGYTNNA-UHFFFAOYSA-N 404.511 1.348 30 10 HDEE COc1cc(CN2CCN(C(=O)NCC#CCN(C)C)CC2)cc(OC)c1OC 1685772414 IHMSEENYGZOIFX-UHFFFAOYSA-N 404.511 1.105 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC2(CCCN(C(=O)OC(C)(C)C)C2)C1 1685846147 SCVRUKBRFMZBAO-UHFFFAOYSA-N 401.529 1.630 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689877090 PVZWVLXWEGUESS-PXNSSMCTSA-N 424.567 1.821 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1689967474 FOYQHLDUFDLGOX-QGZVFWFLSA-N 405.499 1.501 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)=O)CC1 1690245004 BMPMSJAWFQFWEQ-FHWLQOOXSA-N 403.527 1.822 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1690265295 MCAGMVLJWNQVTK-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690643610 KIVZLLNJGHIINU-HZPDHXFCSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC(C)(C)C1 1690665826 QUMCCEMTIXGVOY-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1690665912 TVCHDIGXYFJSLH-INIZCTEOSA-N 419.489 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2cn(C3COC3)nn2)C1 1690700576 UXWLQPBRQLYBTG-KRWDZBQOSA-N 401.515 1.859 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1691005757 DQCWUUYZMBSGOU-NVXWUHKLSA-N 402.524 1.685 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)C2CC2)CCOC1 1692589540 ATNQSNTYGQAIHG-NSISKUIASA-N 405.499 1.208 30 10 HDEE CC[S@](=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1696525969 ALQDHGUXPHNUOO-YAHRNXAISA-N 413.519 1.529 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCC(F)F 1705475711 NZFKJVZZBXMISR-CYBMUJFWSA-N 406.437 1.961 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705534079 YLYNTEXDAVWMAD-UXHICEINSA-N 422.533 1.498 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O 1705608325 NBQRXNOUBMOLNX-UHFFFAOYSA-N 411.915 1.616 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nnn(C)n1 1705622814 VUBQSQIVKKSPTR-UHFFFAOYSA-N 417.477 1.460 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCC2(C1)OCCO2 1705629401 HJCMJEFOTGKNFW-SFHVURJKSA-N 411.506 1.893 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@H]2CCOC2)CC1 1705649303 SHVZRRYGVPFFPS-KRWDZBQOSA-N 408.506 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2([S@](C)=O)CC2)CC1 1705652813 OOKRXSMQWCFMFN-BCOMRZATSA-N 419.551 1.007 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705662012 NNBMQUHGDJTOMX-OAHLLOKOSA-N 418.567 1.706 30 10 HDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)CC1 1705664841 CRSOSWMKARHELY-NVXWUHKLSA-N 405.568 1.889 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1705714373 OEIZMNBMOKGROV-ZPHPHTNESA-N 408.466 1.664 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705729303 RSTBRKSJIKTYSF-GOSISDBHSA-N 418.542 1.459 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncnn2C(C)(C)C)CC1 1705769195 LTIBAFVACAJHBZ-OAHLLOKOSA-N 419.555 1.731 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1705844125 WMLHKNDVSZTHDK-GOSISDBHSA-N 419.551 1.844 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705883903 ABSRJCMYIVZLBF-LLGFUMIMSA-N 419.526 1.596 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1705934847 YSWBIUYZMWPJTO-HNNXBMFYSA-N 404.540 1.559 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1705935933 GYCNVCFRMJADOJ-UHFFFAOYSA-N 423.583 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)C[C@H](C)C1 1705937784 FBLVZSHMCLZOFV-HOTGVXAUSA-N 409.556 1.484 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1710826016 RQTFVNVCLPAQSY-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1712541360 BCMKQNFTGVGYMO-LJCCNALRSA-N 407.515 1.672 30 10 HDEE COCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1712609453 GSOWFYXCVGZJNU-LJQANCHMSA-N 417.445 1.420 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1712713692 GOXIMPXWIJHBSX-ADXZGYQBSA-N 412.519 1.430 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1722297105 DOPJSYFCYJIYRF-CYBMUJFWSA-N 423.564 1.031 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722360813 KBJRPTFSVNEENI-MSOLQXFVSA-N 417.535 1.782 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1noc2c1CCCC2 1722373563 JXGPTDYLRAGFHW-QFIPXVFZSA-N 409.490 1.918 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722481608 FDEUFBVGDFGNOU-NWDGAFQWSA-N 407.228 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1722724122 OBXIYRHMXXCTHF-UHFFFAOYSA-N 409.512 1.189 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@@H](C)C1 1722725506 PMDMKSYGZSGKNF-AWEZNQCLSA-N 413.569 1.057 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1722861079 BHFZGAMLAYEYCF-NSHDSACASA-N 424.387 1.200 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1=O 1723454666 DEUXZLKRXITTCN-LJQANCHMSA-N 424.505 1.537 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1723925654 KHZIZDAACODPLW-DGCLKSJQSA-N 418.470 1.052 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)C1 1724003058 LCHWTNMYKKILLQ-XGHQBKJUSA-N 416.526 1.802 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCCCO 1726406772 UMYOYOFMFKWWCP-AWEZNQCLSA-N 402.528 1.079 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1726723434 QACLJNXIDOKZKM-LPHOPBHVSA-N 413.478 1.759 30 10 HDEE CCOCc1nnc(N(C)[C@@H]2CCSC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728975085 BEIDELDZGQOFMN-VLUKHXRESA-N 406.512 1.283 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1729396466 FMBAYSXSLFEOSR-HXUWFJFHSA-N 415.519 1.603 30 10 HDEE COCCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1730897884 NHIGUYCYCRNCHX-HNNXBMFYSA-N 402.455 1.171 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCN2CCCCC2=O)CCO1 1731186977 IDCSDHMASRFPML-SFHVURJKSA-N 409.494 1.395 30 10 HDEE COCC1(CNC(=O)C#CC(C)(C)C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739299618 MUPLJJGEMRWGES-GJNTUIEKSA-N 402.535 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1740531611 PGLBWFUHXRZTNO-OAHLLOKOSA-N 417.473 1.791 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1740553437 SBDDMACJXGYNPQ-JKSUJKDBSA-N 412.519 1.643 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1740701118 VFLRMBXSTQKOLQ-HSALFYBXSA-N 416.570 1.384 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2(S(C)(=O)=O)CC2)CC1 1740702797 XUZXAJNSYCSTNG-HNNXBMFYSA-N 421.567 1.335 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(CC)(CC)OC)CC1 1740706552 ZSXGKTAFQIBUTA-SFHVURJKSA-N 417.554 1.953 30 10 HDEE C#CCSCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)OC 1740717341 PUIQVFHPGVNEKR-AWEZNQCLSA-N 411.528 1.951 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](C)C1 1740963222 DSWIFCAYUAIYQH-KBPBESRZSA-N 402.524 1.664 30 10 HDEE Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)n(C)n1 1742668285 SLRCNVLOQWAOFM-OAHLLOKOSA-N 413.432 1.966 30 10 HDEE CCc1nnc(N2CC[C@H](N3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744632630 VTPVGHIIYAYGOA-QBNCKDSPSA-N 413.526 1.432 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCCCO 1747193542 AVQIQVALNUKKRL-MRXNPFEDSA-N 414.514 1.354 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1748671626 LZDMREKZDHOYNQ-GJZGRUSLSA-N 418.519 1.704 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1748680248 PDMNFFFPBWFFQA-INIZCTEOSA-N 400.527 1.507 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1748684139 CYDLVQLYJAXMKO-HZPDHXFCSA-N 424.496 1.214 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748759767 OOXFNSSTRAEVKW-HXUWFJFHSA-N 422.489 1.483 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1748825949 JCSKDSPBHBSJSI-ZFWWWQNUSA-N 418.523 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749663680 MTYJSJUYGDOGNK-UHFFFAOYSA-N 424.509 1.026 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749671168 ZQTLYUQQRYEROR-LSDHHAIUSA-N 406.487 1.099 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1749732536 YKPTZMQHGDILGQ-SJLPKXTDSA-N 423.583 1.303 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)OCC)CC2)nnc1[C@]1(OCC)CCOC1 1760159303 BWXBBCDXQTUMCH-FQEVSTJZSA-N 405.499 1.622 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760188847 QLJPGOOVNNRLLI-QZTJIDSGSA-N 422.551 1.739 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760238206 MOGWAGMNEQZCAF-GOSISDBHSA-N 416.547 1.966 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760256523 HQCCSWRJWRYYKC-DXIQSLLYSA-N 417.554 1.237 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760285491 HXYIQKWNPKBSJN-UHFFFAOYSA-N 415.585 1.041 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760285791 RASZIDMYPZDFJW-INIZCTEOSA-N 410.503 1.407 30 10 HDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCNS(C)(=O)=O 1760376013 BOXWUNUKEFSNJV-UHFFFAOYSA-N 401.895 1.746 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760522209 NWAANFFJVHGIKO-INIZCTEOSA-N 414.485 1.550 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760678211 VJYUJWLZKXXOCH-MSOLQXFVSA-N 407.478 1.058 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1760692553 BJNPRCYRVDJRBO-NEPJUHHUSA-N 422.415 1.877 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1760917039 BTRCUKFORVXQED-UHFFFAOYSA-N 421.461 1.846 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1765589314 HOWJQJXLRKSFFE-KRWDZBQOSA-N 412.494 1.845 30 10 HDEE CCOC1CC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1766111551 AEOLFMOVWQKCAN-ODZFXCKXSA-N 423.539 1.114 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1)[C@@H]1CCOC1 1768546281 ZVJJKRRUJGLUEC-QGZVFWFLSA-N 410.478 1.324 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCO1 1768942825 FXTPSFRYIBTFGK-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1 1770355866 KGJSCDCTPBNXNY-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1772660550 QBVMZKVJYKVBNR-MRXNPFEDSA-N 424.548 1.169 30 10 HDEE N#CC1CCN(C(=O)C2CCN(CC(=O)NCc3ccc4c(c3)OCO4)CC2)CC1 1850442783 GCYFTWZRMYNGCY-UHFFFAOYSA-N 412.490 1.506 30 10 HDEE Cc1ccc(-n2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)nn2)cc1 1852243975 RQZDDRRLBBDCIO-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CC1 1853198284 CVYZNKLQYDHPPX-UHFFFAOYSA-N 403.446 1.919 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)CC1=O 1853744058 XIMHHVVRJKJSMW-AWEZNQCLSA-N 410.492 1.666 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cncc(Cl)c2C)C1=O)[C@@H]1CCN(C)C1=O 1853804303 GUASVEASTXEPDA-DLBZAZTESA-N 404.898 1.893 30 10 HDEE COc1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1F 1853895013 NQCDCJDRHKZHTP-AWEZNQCLSA-N 406.391 1.867 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4ccncc4)C3)CC2=O)cc1C#N 1854239571 FOGAGLJQPYWNGF-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1854312809 OQIPVDRPCYULDC-FUHWJXTLSA-N 405.520 1.475 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1854722522 MLZMLRKBZFXOSL-LLVKDONJSA-N 403.382 1.161 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CC(c4nnc5ccccn45)C3)CC2=O)c1 1856689541 LNNRLWFUYMNAFP-INIZCTEOSA-N 400.442 1.689 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CSc2ccncc2)C1=O 1856749302 ZDVOHPPVZKHABG-SJORKVTESA-N 402.520 1.410 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnoc2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857074430 JDPFEGVSXLCATH-NVXWUHKLSA-N 402.495 1.896 30 10 HDEE Cc1ccccc1CS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334315 FCXQGCLAHVTAMW-GOSISDBHSA-N 419.528 1.749 30 10 HDEE COC(=O)Nc1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 1858453557 RYULQLMDXOEBHB-UHFFFAOYSA-N 401.448 1.642 30 10 HDEE COc1ccc(CN2C(=O)c3ccc(C(=O)N(CCC#N)CC(=O)O)cc3C2=O)cc1 1866303790 LDYSCHTZDLQEIR-UHFFFAOYSA-N 421.409 1.932 30 10 HDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873595076 NZBGZFMKTWPZLQ-ZIAGYGMSSA-N 400.483 1.097 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H]1CC(=O)N(C(C)(C)C)C1 1873710452 FRQAVUSJXYTTGB-CYBMUJFWSA-N 420.535 1.414 30 10 HDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN3CCCCC3)n2)c1 1890032008 SOSYGDBTUSIBBR-UHFFFAOYSA-N 424.501 1.533 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 2118165885 FUMWDEIAELTKQP-QGZVFWFLSA-N 416.459 1.269 30 10 HDEE C[C@@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2243662495 BEYIHRKLFFSCIS-GHMZBOCLSA-N 424.332 1.596 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2247773663 MRSIYISGWVOYJU-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC2(C1)OCCO2 2282309567 HJJYAZXDKTVMAG-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282319495 UQYYMJUEXAHVRZ-RYUDHWBXSA-N 405.322 1.449 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1N 2282325295 CFYMSCFAEUCHGN-STQMWFEESA-N 400.375 1.761 30 10 HDEE CCN1CC(CN(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282409103 MQWMKXIYVRJPEB-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE COC(C)(C)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282496375 ZSPIOQVDWAZLTD-LLVKDONJSA-N 404.363 1.675 30 10 HDEE CCCOCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502333 JSLFJRJDYSSUDE-UHFFFAOYSA-N 404.363 1.678 30 10 HDEE C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504293 MTTBHVROOXKCQI-LBPRGKRZSA-N 402.753 1.868 30 10 HDEE C[C@@H](O)CN(C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506893 YZJIZEAUQCBVRN-GFCCVEGCSA-N 401.359 1.722 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1O 2282508652 ZHHPEYGBJWZQFG-SCRDCRAPSA-N 401.359 1.875 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](C3OCCO3)C2)cc1B1OC(C)(C)C(C)(C)O1 2282540828 PAVBRBKTFPXMDW-HNNXBMFYSA-N 403.284 1.829 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C2(C)OCCO2)CC1 2282541650 BCMNROHTRYUDMW-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCO[C@@H](CN)C3)sc2Cl)OC1(C)C 2282619342 YLMHDBPFOGSHPC-GHMZBOCLSA-N 400.737 1.937 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282687011 ZLMUXTIJKJEFII-YOEHRIQHSA-N 402.300 1.994 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C2(CO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282842289 VYMQZRHDDLJVQS-GFCCVEGCSA-N 401.359 1.795 30 10 HDEE C=C(CS(=O)(=O)NCCC1(CS(C)(=O)=O)CC1)B1OC(C)(C)C(C)(C)O1 2282870676 WCUVMXHFONMRAV-UHFFFAOYSA-N 407.363 1.308 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3C[C@H]3CN)ccc2Cl)OC1(C)C 2282874400 ZXTFEWOLNTWMIL-RYUDHWBXSA-N 400.737 1.512 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3CC4(C3)OCCO4)c(O)cc2O)OC1(C)C 2282992323 RENAAZBBKQDCNS-UHFFFAOYSA-N 405.256 1.280 30 10 HDEE C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284395779 PLEHFEFRXIPCRC-GHMZBOCLSA-N 401.315 1.531 30 10 HDEE CCOC(=O)[C@@H](C)N1C(=O)C(=NNC(N)=S)c2cc(C(=O)c3ccccc3)ccc21 2295064347 ZSVYVRAGSQELOW-GFCCVEGCSA-N 424.482 1.753 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2303282136 ARLNVLUVBAFWPG-HOTGVXAUSA-N 419.331 1.431 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1O 2330796601 MYGFTMGENZHNHS-UHFFFAOYSA-N 421.479 1.556 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc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c1ccc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1OC 103101718 XGERFTWHEJUYTQ-LYHOESIGSA-N 417.414 1.727 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2nc(B3OC(C)(C)C(C)(C)O3)ccc2C#N)C1 379452688 DOQHYSUUHCIMPF-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CC(C)(C)OC(=O)N(CCc1ncncc1B1OC(C)(C)C(C)(C)O1)C1CNC1 381890280 DGNGXKZCXACPFM-UHFFFAOYSA-N 404.320 1.527 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1cc(F)c(F)c(F)c1 409505452 AQVREPXORKPKHA-NUTKFTJISA-N 418.441 1.298 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 410073072 BOZFERBELTWLBW-HNNXBMFYSA-N 404.444 1.883 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccccc3)c3nc[nH]n3)CC2)o1 439421019 KFIALXSVCUUVAB-SFHVURJKSA-N 406.450 1.001 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 441962726 VZYPXOWKGZUBHM-LLVKDONJSA-N 407.897 1.490 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447780539 QZAPJFUEALREIV-UHFFFAOYSA-N 419.510 1.287 30 10 HDEE CN(CC(=O)Nc1cc(C#N)ccn1)S(=O)(=O)c1ccc(Br)cc1 477434954 JDAGEEUQTHLXLE-UHFFFAOYSA-N 409.265 1.975 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 478419915 VOJJRRFBLURNCT-KUHUBIRLSA-N 407.492 1.022 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508467222 XNCATBWSPVSWMJ-MRXNPFEDSA-N 422.493 1.618 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 508863746 JMLMLBOKXKHLIZ-FUHWJXTLSA-N 418.542 1.121 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@H](S(=O)(=O)N(C)C)C1 511137117 CRXCLPFMBPYDJY-SJORKVTESA-N 422.551 1.686 30 10 HDEE Cc1c(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cccc1S(N)(=O)=O 513780103 QFIJVDIQIGKJGY-UHFFFAOYSA-N 401.444 1.974 30 10 HDEE CCC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 540549375 MEJCAPVARAICCO-PMACEKPBSA-N 415.513 1.525 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCN3C(=O)c4ccccc4C3=O)CC2)n1 546924304 HPVUUGNHHAELPJ-UHFFFAOYSA-N 404.430 1.081 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 549261592 RXOWCDFIKSPLSD-GPMSIDNRSA-N 410.540 1.531 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 549723653 DQMPKCIYVFVXCB-UHFFFAOYSA-N 405.462 1.981 30 10 HDEE N#CCNC(=O)CNC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 558318228 GNKUDPFJDAGOMK-UHFFFAOYSA-N 408.245 1.965 30 10 HDEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)ccc1C#N 581639016 VGPOJESJWGUNBE-UHFFFAOYSA-N 420.516 1.562 30 10 HDEE CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 585722196 BHFVQYUOCZMQGI-UHFFFAOYSA-N 402.470 1.857 30 10 HDEE C=CCCN(CCCNC(C)=O)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586152964 BTVIHWFZIRBTLG-UHFFFAOYSA-N 423.535 1.915 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)[C@H](C)C(=O)OCCOC)cc21 586311883 BIJJBGZUZDRTKF-ODNVZBEZSA-N 423.487 1.496 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2C2CC2)CC1 609133535 FNLGNRDWCYMRBC-SFHVURJKSA-N 402.520 1.266 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)nc4ccccc34)CC2)C[C@@H](C)O1 610245713 BLZYATVQHILROA-IYBDPMFKSA-N 415.519 1.582 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)CC2 610590352 YOJQZUJHVOGTOL-UHFFFAOYSA-N 412.393 1.901 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)OC)C1=O 610823324 AOFHZGQYPVRULB-HNNXBMFYSA-N 401.419 1.020 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCC4(CCOCC4)[C@@H]3O)CC2)nc1 619817050 BEWZHWASQCFICM-YLJYHZDGSA-N 413.522 1.789 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 679629945 MNIRTAPKLXKBKD-UHFFFAOYSA-N 407.414 1.322 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCC)sc(=Cc3ccoc3)c2=O)c1 727417343 IVZBXNAUCXDSLV-UHFFFAOYSA-N 403.463 1.503 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 728379131 XNNWIABPYQIYRF-UHFFFAOYSA-N 400.456 1.754 30 10 HDEE CC(C)(C)/C=C/C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 732405528 UPTTYGRJYIVTQV-CMDGGOBGSA-N 419.503 1.537 30 10 HDEE Cc1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1N1C(=O)CCC1=O 733046875 CJBUNBZRJSMCCF-UHFFFAOYSA-N 408.389 1.914 30 10 HDEE CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 741340168 DNTQFCSWZDNSOF-VHEBQXMUSA-N 423.828 1.897 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(=O)NC2CCCC2)C1=O 746698198 WYDKIYSSZGAHSC-HNNXBMFYSA-N 406.483 1.952 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 751021367 RAIMONNPPWIKRR-ZDUSSCGKSA-N 406.407 1.388 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(S(N)(=O)=O)cc(C)c1C)c1ccc(C#N)cc1 751836443 ANAPTSQUSWNCKD-QGZVFWFLSA-N 402.428 1.894 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)cn1 759698149 XAUAREKRMCIBDP-MRXNPFEDSA-N 417.535 1.808 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)ccc1C#N 767512460 SMOWRWCPTAUHTL-UHFFFAOYSA-N 420.516 1.025 30 10 HDEE C#CCN(Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 768932623 YGTZZHXRQOFZFJ-FUHWJXTLSA-N 422.547 1.563 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(NC(=O)Cn3cnc(C#N)n3)nc2)CC1 769166910 KECZMLMJEOWXON-UHFFFAOYSA-N 412.454 1.241 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 770654997 JIMGAJAAMIPLKW-ROUUACIJSA-N 404.488 1.294 30 10 HDEE C#CCN(C(=O)N[C@H](CC)c1ccccc1OCC(=O)NC)[C@@H]1CCS(=O)(=O)C1 774179422 OGLDLYGBMNBQSU-NVXWUHKLSA-N 421.519 1.094 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 780204896 KPMNPNRRHZGPPL-MGPUTAFESA-N 409.442 1.999 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(Cc4ccc(OCC#N)cc4)CC3)C2=O)n(C)n1 780564870 FRKIPFSISLBBHS-OAQYLSRUSA-N 422.533 1.944 30 10 HDEE C[C@H](CC(=O)Nc1cn(Cc2ccccc2)nn1)/N=C1/NS(=O)(=O)c2ccccc21 790037596 QELMZLXXULYLGK-CQSZACIVSA-N 424.486 1.782 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 791721319 XLFLDOVQBPORJK-VFNWGFHPSA-N 423.510 1.742 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1CCN1CCOCC1 793469609 RUGDVTXXASACBY-UHFFFAOYSA-N 420.538 1.147 30 10 HDEE N#Cc1cc(C(=O)NS(=O)(=O)c2ccc(I)cc2)ccn1 796843681 AUHMJKHJSOOJMN-UHFFFAOYSA-N 413.196 1.677 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)CC1 798229371 ZRZQYPJKMDXJDN-UHFFFAOYSA-N 422.489 1.714 30 10 HDEE C=CCN1CC[C@H](OC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1=O 798598055 XUSRNEVOTXOWHH-INIZCTEOSA-N 407.423 1.898 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798743001 BHQMPDIPHJUQMX-HNNXBMFYSA-N 407.434 1.373 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 807591643 HKTINGHQUCTVGQ-QUCCMNQESA-N 421.563 1.908 30 10 HDEE CN(CCO)Cc1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1Cl 807993371 ANEGKMLVZGMDTE-VHEBQXMUSA-N 406.870 1.619 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C)[C@@H]1CCS(=O)(=O)C1 809864433 HUEFLPXJMIJUPQ-SQNIBIBYSA-N 400.504 1.687 30 10 HDEE N#CCc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1116432812 LQPQLHREHNJHGM-VQTJNVASSA-N 424.526 1.630 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1125808174 LUKBOGRMSJWKIJ-SFHVURJKSA-N 413.455 1.297 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1136137964 SANUHTPDFWMRJU-OAHLLOKOSA-N 420.510 1.664 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](OC)C[C@H]3C(=O)OC)n[nH]2)c1C 1137830017 MDLHWZTUHIWARO-YOEHRIQHSA-N 401.467 1.869 30 10 HDEE C/C(=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)CN1CCOCC1 1141804208 VENOIBKPPXQLLU-NDQKCQEPSA-N 420.535 1.716 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1144429294 QQSLHGDPZOQWEH-ODLWAUGFSA-N 422.482 1.044 30 10 HDEE C[C@H](CN1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1144612689 GPQYDJGXIDXCKX-ZBFHGGJFSA-N 403.914 1.317 30 10 HDEE CC1CCN(C[C@@H](C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1147288136 RXHWRHMLEMAWIH-APWZRJJASA-N 411.506 2.000 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(O)(c3ncnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1153932095 UKYPEXKNOSRCMT-FQEVSTJZSA-N 419.526 1.971 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1168906942 HNWZQDYZDCVUCM-INIZCTEOSA-N 421.461 1.654 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 1177718964 WRJUZTIGIHWUSD-CNZFZVQHSA-N 401.488 1.856 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)cc1 1209727880 XVWZGGRWYXPBNU-UHFFFAOYSA-N 424.466 1.645 30 10 HDEE COc1cccc2c1OCCC[C@H]2NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1248200333 VBKFNCQCSJIMAC-OAHLLOKOSA-N 411.418 1.309 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1254599161 MGAUBPRLRGFNEH-OAHLLOKOSA-N 410.492 1.320 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc2c1C(=O)NCC(C)(C)C2 1266191222 WYTJXBFZNZSLAE-CYBMUJFWSA-N 408.462 1.604 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1286361342 NXJAYVIYTPKRFL-OAHLLOKOSA-N 414.535 1.990 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1286395517 RRHQVCKTGUGGRS-SFHVURJKSA-N 416.551 1.539 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1286451127 ILNYLSDUUGXGPK-AWEZNQCLSA-N 422.580 1.903 30 10 HDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(N)=O)C1 1286537684 BILGDKBJBDZAKZ-JTQLQIEISA-N 423.271 1.226 30 10 HDEE C=CCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1286777741 KZNGXCAHRBIPCT-UWJYYQICSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1286787954 NDKFUCWRBKMQBV-IAGOWNOFSA-N 401.467 1.993 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286791587 WXHLPPYUCUYZDB-UHFFFAOYSA-N 402.543 1.618 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286818102 UCFMAGOFHJGFHR-HNNXBMFYSA-N 409.556 1.497 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1288193012 FFAXFEAYKLNHCU-QGZVFWFLSA-N 423.477 1.372 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cc(C(C)(C)C)no1 1288774463 YOZNGFASMSTXHO-STQMWFEESA-N 423.543 1.960 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)CN(CC)CC)CC1 1293082558 MIMTVRWXLHOULH-KRWDZBQOSA-N 408.543 1.306 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CCS1 1293559943 GQJQBBBONVULGQ-MRXNPFEDSA-N 420.564 1.698 30 10 HDEE CN(C)CC(C)(C)C1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1298103381 IBXFYDURPDRXBY-UHFFFAOYSA-N 406.552 1.552 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300313034 AAJDYQBEOJMFCH-MAUKXSAKSA-N 419.526 1.890 30 10 HDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300366225 HOMVITHRWRRCTL-UHFFFAOYSA-N 402.543 1.854 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1 1300547726 BSVOXJPHYKWPFL-QFIPXVFZSA-N 410.474 1.744 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](OC)C(F)(F)F 1300650989 XXXVQEWBGGABMZ-CQSZACIVSA-N 417.432 1.568 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1301019121 GXNBLEZMUJJICA-ZDUSSCGKSA-N 409.899 1.413 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301197291 HMXXMKBWNVSUDM-HNNXBMFYSA-N 412.560 1.148 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1301424381 KIQCLQYALABPDS-HRAATJIYSA-N 403.527 1.822 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1301509405 PGDPBBBNDIYCJY-QGZVFWFLSA-N 406.527 1.851 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCNC(=O)CC1 1301529635 OPTNDMKNYUEYMX-UHFFFAOYSA-N 407.478 1.618 30 10 HDEE COCCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1302229488 FPUWYOKOMRISEO-GOSISDBHSA-N 410.478 1.673 30 10 HDEE C[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1302870888 VNDJTGOIZZIBOY-HUUCEWRRSA-N 413.482 1.982 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303427629 OMDUFSGZAYRCCK-UHFFFAOYSA-N 420.477 1.723 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN2C2CCOCC2)s1 1304059635 GOKGPRRVSAPAFC-OAHLLOKOSA-N 413.565 1.124 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC2=O)cc1C 1305589535 IZEZXQDIGOEUMA-HNNXBMFYSA-N 421.457 1.264 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3CC[C@H]2C(C)C)CC1 1312458358 BQAIZMKXJRVWDA-AZUAARDMSA-N 418.563 1.741 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCC(=O)N(C)OCC(F)(F)F 1313042848 OZLUTIDRMBAWHO-UHFFFAOYSA-N 402.373 1.669 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1314553964 YUXBDBXVBNAAOJ-GOSISDBHSA-N 406.487 1.716 30 10 HDEE COCCN1C[C@H](Cn2c(C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1=O 1316118725 SAPIMOYXUYTYJE-RLLQIKCJSA-N 408.506 1.825 30 10 HDEE C[S@@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCC1 1316365598 GWENPJMJQVHGCM-YMGMXPECSA-N 408.503 1.144 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1322289719 IYFDSSZCJGKZAO-JOCHJYFZSA-N 422.489 1.717 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1358886427 DHYDANLJKFJETL-ZSEKCTLFSA-N 405.462 1.530 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC1([S@](C)=O)CC1 1358982955 QAJWQCBILXIXLO-LJAQVGFWSA-N 412.515 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1358988175 GIBUYQYPCNVQRK-UHFFFAOYSA-N 411.473 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1358998104 QEGBNQGXGRFTRJ-FQEVSTJZSA-N 405.458 1.607 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(C2CC2)C1 1359018329 LZEDUQDMZDMVCE-QGZVFWFLSA-N 423.521 1.496 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1359022429 ZOVOFEDLXUBWON-DLBZAZTESA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359034060 AVIWXOIAHGOGQY-KDURUIRLSA-N 411.554 1.528 30 10 HDEE C#CCSCCn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1359061194 UPTOFPCKKQLUQQ-UHFFFAOYSA-N 405.911 1.813 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1 1359098016 WMOHLHBTNOAQLV-WBVHZDCISA-N 414.514 1.121 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359147375 DNOQBKZWGADAMF-UHFFFAOYSA-N 410.931 1.953 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1)C1CC1 1359246842 MYQTXVMGGBYBQO-HNNXBMFYSA-N 422.599 1.918 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)NC 1359281744 INDIUYJCCSLMJU-QGZVFWFLSA-N 401.467 1.566 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2C[C@@]2(N3CCOCC3)CCSC2)C1 1359322315 SZYZHUNPVDPABC-PXNSSMCTSA-N 407.584 1.830 30 10 HDEE CC(C)N(C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1360110626 SJQUKSFHSBBDOP-HKUYNNGSSA-N 401.559 1.689 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCC1 1360474094 HGQAYCUJYMUVRP-CQSZACIVSA-N 407.478 1.845 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Cl)ncc3Br)C[C@H]1CS(=O)(=O)C2 1439792893 AMIYFAPIAOKXMJ-ISVAXAHUSA-N 404.673 1.508 30 10 HDEE N#C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1440866525 KNYIGTRQBMVSHU-HZPDHXFCSA-N 411.842 1.499 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2cc(Br)cc(N)c2N)CC1 1450474635 PDJNUYGTEIPJBA-UHFFFAOYSA-N 401.268 1.843 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CN(C)C(=O)[C@@H]2C)cc1[N+](=O)[O-] 1452826540 LVUREUYCTJTKPC-LBPRGKRZSA-N 412.406 1.641 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CC(=O)OC)cc2)cc1 1454104411 MTZZBPZNICRQRD-UHFFFAOYSA-N 402.472 1.796 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CC(Nc3cccc(C#N)c3)C2)CC(O)C1 1454251063 ZAQAEPMYELCQSD-UHFFFAOYSA-N 400.479 1.847 30 10 HDEE O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NC[C@H](O)C(F)(F)C(F)(F)F 1455203613 ZBAODEPXRSSWMY-VIFPVBQESA-N 404.238 1.680 30 10 HDEE COC(=O)[C@H](Cc1cc2ccccc2o1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1455610922 IZYCKLGVBGCNAZ-SFHVURJKSA-N 405.410 1.935 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@](N)(c1cccc(F)c1)C(F)(F)F 1457935664 KFFUDBKVKRTHCE-CYBMUJFWSA-N 405.270 1.611 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462357659 RFKWHCYNHVQACR-WMZHIEFXSA-N 402.454 1.917 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OCC 1464387276 XFOAFEHIPQPAEK-LBPRGKRZSA-N 415.464 1.667 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1468540522 YTRASLLOEKVRND-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE C#CC[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC(C)C)C(=O)OC 1468875872 RKLGIECRRNPDCS-AWEZNQCLSA-N 412.446 1.325 30 10 HDEE C=CC[C@]1(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1471391007 WUXYZSIXMNPTBH-KSFYIVLOSA-N 421.538 1.822 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1471535123 CJLONAFXWNCFKI-QGZVFWFLSA-N 405.520 1.858 30 10 HDEE C=CCSc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1472222047 GUSKWCVBLTXENO-SHYRYGCCSA-N 408.545 1.906 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3cn(C)nn3)C2)ccc1F 1472328021 JVPVEGGGQKOYTK-AWEZNQCLSA-N 407.471 1.438 30 10 HDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 1473582765 ZWCOIZZNVVEEFY-UHFFFAOYSA-N 411.474 1.143 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCC1(F)F 1473684160 HQCRSMCECFMCPO-JKSUJKDBSA-N 400.470 1.199 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnn(C)c2Br)c1 1474854241 VWRIAIMMIKZAFP-UHFFFAOYSA-N 411.281 1.423 30 10 HDEE Cc1nnc(CCCn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)s1 1492765443 HJIWKPFLIURTTA-UHFFFAOYSA-N 409.523 1.973 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1)[C@H]1CCOC1 1503412220 IGUZNQJLKIRVMC-SFHVURJKSA-N 408.466 1.216 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1 1504648386 LCWNJHBUSCMLBV-JOCHJYFZSA-N 408.506 1.666 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)CC1 1505323402 DUOFUTMHFJMHDR-QGZVFWFLSA-N 413.526 1.762 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCC1 1507540510 ZSEGTPOSHKOLTK-HZPDHXFCSA-N 409.556 1.649 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCO2)c1 1507550867 RAJKMUBZSZLEJN-ZWKOTPCHSA-N 422.489 1.464 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507554572 UBRIALBHRKHFAK-WBVHZDCISA-N 416.526 1.935 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1507594700 IDZQGJHVQGGWRU-QUCCMNQESA-N 416.570 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@@](C)(CC)O1 1507660111 MERCFQZPNBNNSY-SQGPQFPESA-N 421.567 1.699 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1507676879 RHRHNPZNYMAHBO-VGSWGCGISA-N 412.465 1.999 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CCC(=O)NC)CC1 1507721696 SIRZEKYEABLQAR-UHFFFAOYSA-N 404.877 1.629 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2cccnn2)CC1 1507750318 QKCQMNKROUKXJH-UHFFFAOYSA-N 408.535 1.767 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1507935579 RZESLTSUFUXOHA-INIZCTEOSA-N 409.556 1.628 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1508088055 VSUDCEFXIPOIRJ-KRWDZBQOSA-N 410.478 1.120 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@H](C)C1 1508131815 QKDCWLMVSSJLTQ-HUUCEWRRSA-N 411.572 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC=C(COC)CC1 1508140482 IMHZKYMIVOKFCB-KRWDZBQOSA-N 410.540 1.903 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1516863735 SABKZZNXONPGQF-AFJIDDCJSA-N 412.519 1.302 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COCc2ccnc(OC)c2)c1 1518828175 YXSRJTISEICQPE-UHFFFAOYSA-N 423.469 1.480 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)COCCO1 1519426250 YBCZYSUJNJONTC-XGHQBKJUSA-N 419.526 1.938 30 10 HDEE Cc1nsc(N(C)C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1C#N 1525007820 GXOLDUQFVNCSSV-UHFFFAOYSA-N 423.520 1.992 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N4CCCS4(=O)=O)CC3)cc2C1=O 1525317795 UAJZVWPIRICEBJ-UHFFFAOYSA-N 417.487 1.109 30 10 HDEE CN(Cc1cccc(Br)c1OCCS(C)(=O)=O)C(=O)[C@@H]1C[C@@H]1C#N 1529260432 QCHDWLSDIYUTOX-CHWSQXEVSA-N 415.309 1.991 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)nn1 1529544167 PTPVXRYQWKHTEL-GJZGRUSLSA-N 419.507 1.192 30 10 HDEE Cc1cccc(CN2CCCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538308784 UHYIBGIKXLNXPE-ZJOUEHCJSA-N 401.532 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1538976402 LNRJCMULVWWNJP-ABSDTBQOSA-N 404.511 1.931 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539216453 SFRVMROMDHCLIV-QGZVFWFLSA-N 410.503 1.538 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539221869 RTADADSDOMTXBO-KRWDZBQOSA-N 402.524 1.528 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CSCCS1 1539238577 ZWXWNMKVTNFODT-LPHOPBHVSA-N 406.577 1.852 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1539344875 LPCNPHVTJGVGSR-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1540268231 NLHXHQNNUYNDTN-UHFFFAOYSA-N 417.350 1.648 30 10 HDEE Cc1ccc(C(=O)N2CCC(NS(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1540646845 ZVEZXSSLLNPSIO-UHFFFAOYSA-N 422.356 1.448 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1540858594 KPTAXZAMRJVXBV-UHFFFAOYSA-N 416.432 1.854 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1541088380 GSEVVYFNASDSMY-NRFANRHFSA-N 407.478 1.202 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1541105346 HHKQONYGXXXZMI-RBSFLKMASA-N 420.539 1.586 30 10 HDEE C[C@@]1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)COc2ccccc2O1 1542058090 NDFMOFGLLANLQR-HXUWFJFHSA-N 415.471 1.838 30 10 HDEE C#CCN(CC(=O)N[C@H](CN1CCN(C)CC1)c1ccccc1)C(=O)OC(C)(C)C 1542810441 BRHWEHGTALZFAA-HXUWFJFHSA-N 414.550 1.962 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3cnc(Cl)c(Cl)c3)CC2)nc1 1543555335 TYPCCFYDPBWXCU-UHFFFAOYSA-N 419.272 1.734 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C#N)o1 1546587503 DIBLLWWZTYEDSV-JQFCIGGWSA-N 414.466 1.230 30 10 HDEE CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)o1 1546937832 HILABDVPOFUJBV-OCCSQVGLSA-N 423.543 1.924 30 10 HDEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1547335804 GRMYLRUVUVSNIJ-MRXNPFEDSA-N 418.523 1.466 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1555557479 UOEHXWGMPAUFIU-PXNSSMCTSA-N 415.498 1.383 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)CC1=O 1555573347 AWLBAYRKKNHSNC-QGZVFWFLSA-N 411.510 1.518 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1cccc(CC#N)c1 1557064490 YGJUXISXXYFNMX-UHFFFAOYSA-N 402.432 1.711 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@H](CN3CCOCC3)C2)o1 1557746953 YUKJQJIMROLSCE-LJQANCHMSA-N 411.458 1.903 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1558597945 DBRQJAPSFZCMLH-MRXNPFEDSA-N 410.455 1.508 30 10 HDEE Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805651 SECKZSDVKSXWEF-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC(=O)[C@H]3C)nnc12 1559039639 FVBQKKXYLFRAFR-CYBMUJFWSA-N 411.487 1.902 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(Cl)c(Br)c2)CC1 1559717799 XMBMSFYTOKOCJJ-UHFFFAOYSA-N 406.733 1.688 30 10 HDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)CCOC1 1560012732 XCMCNSRDOFCPPD-VLIAUNLRSA-N 404.467 1.045 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@](CO)(c3ccccc3)C2)c1 1569644593 LIOBYVYQMQVJQP-HXUWFJFHSA-N 402.447 1.899 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1585082237 NMHUMCOEQGIZPU-UHFFFAOYSA-N 422.482 1.117 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCO1 1585431672 IGOQFXULPDEXDB-KRWDZBQOSA-N 412.899 1.277 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1587586511 PBYYMYHJHFLFLW-JLTOFOAXSA-N 414.487 1.699 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1587860793 AYEATCNAKQWUGB-IRXDYDNUSA-N 421.567 1.287 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1587985194 VMADTHSTDHOUHF-IEBWSBKVSA-N 410.522 1.910 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCOCC1 1588180415 DZLPGKNOVXVERH-MRXNPFEDSA-N 407.540 1.168 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@H]1C 1588253886 IEBPEPIGDDMUCZ-JTSKRJEESA-N 412.465 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(C(=O)NC)c2)CC1 1588813063 VUOAJTXGDGLHCM-FQEVSTJZSA-N 422.533 1.683 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1595608770 XMLMMXGQKJQFJT-DWRORGKVSA-N 419.526 1.452 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1597825563 GKPOENNFSMTYFK-UHFFFAOYSA-N 423.521 1.925 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1607455117 GLCBDPYLTMYKML-OTWHNJEPSA-N 402.543 1.879 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)C1 1611602448 YDJIKFQGXDEZOC-MRVPVSSYSA-N 402.332 1.997 30 10 HDEE CN1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618464302 BNPUYMZCFQYPPJ-SIKLNZKXSA-N 410.522 1.747 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)C1=O 1618550433 DUQMPXACNOVOHC-DLBZAZTESA-N 402.517 1.161 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620180608 DHLGEOASDCYLOU-PBYQXAPXSA-N 422.514 1.996 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@@H]2CCOC2)cc1 1620350143 DROBMKQUMMUAFR-KRWDZBQOSA-N 410.478 1.196 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ncnc(O)c2Br)CC1 1624688187 HDTOPLWPOKSBPR-UHFFFAOYSA-N 419.239 1.644 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N(C)[C@@H](C#N)C2(SC)CC2)C1=O 1624877655 ZXMRCVVPCGSJTI-KXBFYZLASA-N 416.503 1.708 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CNS(C)(=O)=O)CC3)n[nH]2)c1C 1627287253 LBDDQLTZSOFVDX-UHFFFAOYSA-N 420.539 1.477 30 10 HDEE C=CCOc1cccnc1C(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1628582504 LFNZKXOZWVWYGE-UHFFFAOYSA-N 404.492 1.502 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(=O)OC 1629617090 GNBHHNSPFMBZKW-MRXNPFEDSA-N 411.439 1.542 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3cccnc3)CC2=O)cc1Cl 1630049246 FCZFPXRHVHUAFE-OAHLLOKOSA-N 411.849 1.506 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1630940140 MULMKVFRGFMYOJ-ZOFXXKQRSA-N 415.490 1.216 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cn1 1631473407 HSHDKLORTBDFOK-QFIPXVFZSA-N 417.513 1.831 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]12COCCN1C(=O)OC2 1632441275 YPWKHZHXEKKIDA-SJCJKPOMSA-N 403.863 1.360 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](n4cncn4)C3)C2)C1 1633382356 JCKNUXTYLQAGPC-FZTQNYJHSA-N 400.483 1.838 30 10 HDEE Cc1ccc(C(=O)Nc2cc(C3CCOCC3)nn2C)cc1S(=O)(=O)NCC#N 1634987791 JCQDWVIUPOPATH-UHFFFAOYSA-N 417.491 1.677 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1638055861 PTWGQMHYUFQGOK-CYBMUJFWSA-N 406.508 1.980 30 10 HDEE CC(=O)Nc1ccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)nc1 1638640399 IYLKGUQPNOZZQQ-UHFFFAOYSA-N 404.224 1.837 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCCCn3ccc(O)nc3=O)CC2)cc1 1638913228 SNRPURMVRFTOIW-UHFFFAOYSA-N 410.478 1.128 30 10 HDEE CSc1nccn1-c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1641752027 KXYLDYJGAUTQQG-UHFFFAOYSA-N 408.443 1.425 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1OCCO1)C(=O)OC 1644144807 AQLSTUHDCQPUSQ-NWDGAFQWSA-N 406.863 1.443 30 10 HDEE Cc1ncc([N+](=O)[O-])n1CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1644618346 MUGBEUJCKQWZOG-UHFFFAOYSA-N 420.433 1.710 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)n1cccn1 1644719214 SJWGNBNVDVACBF-OAHLLOKOSA-N 404.320 1.987 30 10 HDEE C[C@]1(C#N)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1646251914 DDKIFIHGWXITKY-HXUWFJFHSA-N 418.519 1.062 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1648859701 MHULLKYRBJMZBC-KRWDZBQOSA-N 419.547 1.709 30 10 HDEE C#CCCN1CCN(S(=O)(=O)Cc2c(Br)cccc2OC)CC1 1653801740 OJWNXVHMFINFSS-UHFFFAOYSA-N 401.326 1.928 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](OC4CCC4)CC3)CC2)o1 1655365847 AONASTJYPAAKAI-GOSISDBHSA-N 401.511 1.927 30 10 HDEE C#CCCCS(=O)(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1655558865 ZCFLCUWVHVCFQO-MRXNPFEDSA-N 411.528 1.683 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)Cc2c(Cl)cccc2Cl)c(=O)nc1O 1656067084 FJDOUBZDOKLNKY-UHFFFAOYSA-N 403.247 1.247 30 10 HDEE C=C(C)[C@@H](CO)N1CCN(C(=O)c2ccccc2I)CC1 1657028723 SXMBYXQBZRSQTC-OAHLLOKOSA-N 400.260 1.986 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN(C)C[C@H](O)c2cccc(C#N)c2)CC1 1659321670 DKHWCDIDWSZFFY-SHWNOYPMSA-N 404.507 1.759 30 10 HDEE C#CCN(CC(=O)N=[S@](C)(=O)N(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1660151413 BFFSFZQZGWOPQJ-MHZLTWQESA-N 400.545 1.422 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1662443680 FXIRNGKFABHCHW-LBPRGKRZSA-N 416.293 1.957 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)C(=O)OC 1669658272 VRQMONOWNLXPEL-VIFPVBQESA-N 420.672 1.593 30 10 HDEE C#CCC1(NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCOCC1 1681832916 ZSCMPYLEJOEQAH-UHFFFAOYSA-N 413.927 1.880 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@]1(C)COc2ccccc2O1 1683016135 VXTWREWKPQLDGM-BTYIYWSLSA-N 408.462 1.798 30 10 HDEE C=CCc1cc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)cc(OC)c1OC 1683367506 RLZMEOXUHGOTIJ-UHFFFAOYSA-N 413.434 1.066 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CC1 1685632775 VXMGHZISCIDORH-UHFFFAOYSA-N 420.491 1.579 30 10 HDEE COc1ccccc1OC[C@H](C)CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1685748090 OJIXILVZMCBNAJ-CYBMUJFWSA-N 413.434 1.111 30 10 HDEE C#CCOCCNC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1685865953 SBBABGSXIXOEAV-MRXNPFEDSA-N 407.536 1.565 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cnc(C(F)(F)F)nc3)C2=O)cc1 1686341498 KTLYAQWGRVHLCO-OAHLLOKOSA-N 418.379 1.967 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1)C1CCOCC1 1687126369 LWGHAOLWVRKPNE-UZLBHIALSA-N 416.497 1.908 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nccs2)C1 1689936885 HTWLZWSTITVDHV-HNNXBMFYSA-N 400.508 1.848 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1689937442 ZXJWWGSYVMEQDG-SFHVURJKSA-N 414.554 1.947 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689989626 HKGZQWIMPQJSHU-IAGOWNOFSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1690013592 VOCCGHWVYTYDBZ-QGZVFWFLSA-N 402.462 1.209 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(OC)CCOC2)CC1 1690131259 WSIOKYQHDAJAJQ-HSZRJFAPSA-N 409.534 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCC2)CC1 1690142904 XKMCMUXOXMDALJ-UHFFFAOYSA-N 409.538 1.725 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC#C)CC1 1690179083 LUJWORZUCJRHIG-UHFFFAOYSA-N 400.577 1.755 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1690180324 CRAAXUIEWJQIIV-UHFFFAOYSA-N 421.567 1.602 30 10 HDEE C=CCN(c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)N(C)C)C1CC1 1690538726 OXOPSRATSZDAPY-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(=O)OC)CC1 1690609480 PPPQSPMYYQREHO-UHFFFAOYSA-N 422.530 1.534 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690733647 JZNGJGOEQSYHKN-OAHLLOKOSA-N 408.572 1.831 30 10 HDEE CCN(CCCn1c(CC(C)C)nnc1N1CC[C@](F)(C#N)C1)S(C)(=O)=O 1695740926 DWEXWBTZTFUPDP-KRWDZBQOSA-N 400.524 1.590 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1=O 1698171625 RPBXLDKQZVYPNN-IRXDYDNUSA-N 420.514 1.133 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1705542092 YFTCSVZUMMDFAV-CVEARBPZSA-N 416.551 1.409 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1705566622 OVKNJYDLGYJQOH-HZPDHXFCSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1705598901 SETNHDLTWVQXOS-OAHLLOKOSA-N 418.469 1.970 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CC(C)(C)O)CC1 1705634237 OENOIFWIWPETQV-UHFFFAOYSA-N 405.506 1.861 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](CC)OC)CC1 1705637252 OQLUKHQWPSRVCJ-GOSISDBHSA-N 411.506 1.897 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705687635 HEPFSDBTKUHVBH-GJZGRUSLSA-N 423.315 1.793 30 10 HDEE C=C(Br)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCS(=O)(=O)C1 1705692231 CUGBIMIFDALGRU-JTQLQIEISA-N 401.290 1.566 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1705739900 VLBDGWAMSCLYEM-UHFFFAOYSA-N 420.535 1.993 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705746992 CFJBZTUTCBZPSF-IHRRRGAJSA-N 403.936 1.504 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705874554 PZDWRKBRGDVDFC-KRWDZBQOSA-N 417.535 1.851 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)nnc1C(C)(C)C 1705908337 NXIJQPNZLMWKNV-HOTGVXAUSA-N 420.558 1.245 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)C1 1705924946 HYRSUVZXVPHBQO-SJORKVTESA-N 403.527 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C)o1 1705929055 YWFNQDROTYFEEM-UHFFFAOYSA-N 421.523 1.653 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1705934629 RMCFSMKOZGREDX-JYJNAYRXSA-N 409.556 1.845 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1710447559 JAYYOJGIEDFFSY-VBKZILBWSA-N 415.450 1.442 30 10 HDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1712029993 ABKPJYMPDUDPTO-UHFFFAOYSA-N 408.487 1.837 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1722343895 KXNAWQAESHSDEY-FQEVSTJZSA-N 402.499 1.279 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCS(=O)(=O)C1 1722353978 HABPOXZRGNIULZ-MRXNPFEDSA-N 412.519 1.411 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCOc1ncccc1F 1722387138 SOIWXQSIJAZZMN-UHFFFAOYSA-N 407.453 1.826 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1722397850 VRHQINCQEISFCX-CQSZACIVSA-N 411.325 1.552 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1 1722429864 XBCNWXMELKEONN-MRXNPFEDSA-N 422.938 1.968 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC)CCS(C)(=O)=O 1722460825 ZNFIRZIEPVZFBT-HNNXBMFYSA-N 400.570 1.757 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(F)(F)F 1722474847 QBWMDRXZFZYPLG-SWLSCSKDSA-N 421.445 1.165 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CC=CCC1 1723940008 ALCBMULMQWRSIE-VQIMIIECSA-N 421.571 1.280 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1730482369 AWWUCUQVPUMXIS-MRXNPFEDSA-N 402.430 1.690 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1730878889 XOMZTUBECKXWRX-IRXDYDNUSA-N 406.531 1.605 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1740567043 MYVYPKIQAURHQS-QGZVFWFLSA-N 410.588 1.612 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1740622591 ZNAHURLPSSZLFD-JKSUJKDBSA-N 418.519 1.615 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1740632108 OHUPSJWMAPJXRW-FQUBMZHMSA-N 416.522 1.322 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C 1740725265 OLQOQCCDGKJVQL-IFXJQAMLSA-N 424.571 1.185 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCC(F)(F)F)C1 1740976234 IGLHKPVRXSIXRF-AWEZNQCLSA-N 410.400 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CCc1nccs1 1740992459 QOLYLHCXJMLFBN-CQSZACIVSA-N 411.553 1.518 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CC1 1741022654 HAWRNVHCTJMTEA-GOSISDBHSA-N 409.494 1.636 30 10 HDEE CC(C)(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1741208353 XPUDVEHJTNDLHH-UHFFFAOYSA-N 420.525 1.814 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1741876966 HEAVZEARUXISES-WMZOPIPTSA-N 416.551 1.627 30 10 HDEE Cc1nnc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1742859988 OVDWKOBSKSWMNR-UHFFFAOYSA-N 423.452 1.999 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1744695940 DBFPXUXKPCWXBJ-IAGOWNOFSA-N 423.512 1.373 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1745232175 ANILWLAHFDCCGS-FOIQADDNSA-N 417.535 1.991 30 10 HDEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1745685917 BDXVSHDOSDYJLQ-YESZJQIVSA-N 408.572 1.508 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCCO 1748664796 KCWAOIFHKVTJGW-MRXNPFEDSA-N 424.505 1.532 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1748747164 CUKXZBAQSWYQCH-HOTGVXAUSA-N 400.527 1.774 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C 1748844016 MNWCWFAPVVWNKJ-LJQANCHMSA-N 402.502 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCN1C1CC1 1748875715 VXUDJPVSFPCLQL-FQEVSTJZSA-N 408.550 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1748984783 QUSAETKBXYUMRR-VGSWGCGISA-N 406.490 1.112 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@@H]2C[C@@H]2C)CC1 1749003428 JNJQUWCZLDDQDM-CECAUBDESA-N 415.538 1.865 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCSC1)C1CC1 1749525718 ULHNCFWGYMEKRJ-FQEVSTJZSA-N 404.584 1.993 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1749590151 QKDXJVJQMYKJHK-UHFFFAOYSA-N 418.542 1.556 30 10 HDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1752191686 DRDMEQIRXLLAFU-KRWDZBQOSA-N 424.505 1.966 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1760097325 CVGZJIYIOMOOMX-AHIWAGSCSA-N 411.553 1.315 30 10 HDEE C#CCCCn1c(COc2ccc(Br)cc2)nnc1N1CCNC(=O)C1 1760158611 QFQFNWVVGBAYTD-UHFFFAOYSA-N 418.295 1.969 30 10 HDEE C#CCN(CC)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1760235686 ULRXTZOBRBSACQ-UHFFFAOYSA-N 408.528 1.434 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1760357360 ILHSBNAURHXRNX-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2cccnc2)n1CC(=O)N1CCOCC1 1761076633 DCGLQXJBUDKTEA-UHFFFAOYSA-N 411.510 1.965 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1766371644 FQIYIYYQDFTTFY-UHFFFAOYSA-N 410.478 1.935 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCOC 1767767947 HWFGKYVVRSCCQA-HXUWFJFHSA-N 400.483 1.177 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(F)c1 1770051322 MWKVOSVOODLHCC-GDBMZVCRSA-N 419.457 1.927 30 10 HDEE COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1771083607 BJHMYTYJGYQSOI-HXUWFJFHSA-N 403.531 1.109 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOCC(C)C 1771304995 PQVUUSSRISVPAP-KSZLIROESA-N 407.515 1.794 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CCC2)cc1 1851586489 JDGCWRLWOHOJCM-KRWDZBQOSA-N 405.426 1.958 30 10 HDEE O=C(Cn1cnc2ccccc2c1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851707822 CDPAQAOGJIOYLV-UHFFFAOYSA-N 402.354 1.267 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(c2ccc3nncn3n2)CC1 1852284916 CBFFSHKQNMPDFX-UHFFFAOYSA-N 412.885 1.962 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852292894 HTCDXYIUEQRIEC-SFHVURJKSA-N 417.918 1.997 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1=O 1854240620 FCRLEOBWRKYLOD-RBUKOAKNSA-N 407.474 1.332 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854551717 LEIQQCCYTYZALE-GDBMZVCRSA-N 417.487 1.021 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3nccc(Cl)c3F)C(=O)C2)C1 1854940699 HOZXYCJAQVOBDZ-UONOGXRCSA-N 407.877 1.925 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1nnc([C@@H]2CCOC2)o1 1856233705 HYNHMUBTYOQIQG-WMLDXEAASA-N 409.446 1.247 30 10 HDEE C[C@@H]1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCS1(=O)=O 1856989521 UGJWRCZUILJIIP-DYVFJYSZSA-N 423.922 1.656 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)CC4CC4)C3)CC2)CC1 1857127747 WYQYUSJFLXARGF-GOSISDBHSA-N 400.523 1.636 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857226245 WXOHVQLNGGSGBH-IAGOWNOFSA-N 401.511 1.480 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN3CCCC3)OCC(=O)N2C(C)C)cc1 1889241717 QEOJNCDHJNGCHM-YADHBBJMSA-N 413.518 1.588 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1C#CCN(C)C 1891021985 YXMHTFDCMHSQGO-DLBZAZTESA-N 408.524 1.001 30 10 HDEE COc1ccc(N2C[C@@H](NS(=O)(=O)c3cccc(C#N)c3)CC2=O)cc1OC 1891354323 HTNGKJMLQYHBCD-AWEZNQCLSA-N 401.444 1.659 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NCC#CBr 1895211459 GNDPJHYLBYLTBS-HNNXBMFYSA-N 417.256 1.286 30 10 HDEE C=C1COC[C@@H]1NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 1918848316 YCQCQOGDYURUJE-NSHDSACASA-N 409.201 1.223 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@H]2COC[C@H]21 1965825101 DKXZNCRDJMSRRH-SGMGOOAPSA-N 413.521 1.922 30 10 HDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@H]1C(=O)NCB1OC(C)(C)C(C)(C)O1 1985104234 HOMUPEGZCTZHAV-AWEZNQCLSA-N 406.292 1.819 30 10 HDEE C=C[C@@]1(O)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2074506938 NMAHDMPAUVXNRV-HXUWFJFHSA-N 406.504 1.796 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCN=c2[nH]ccc(C#N)c2Cl)C1 2162414988 PJGGCDPTHQLGCP-ZDUSSCGKSA-N 414.915 1.865 30 10 HDEE CC(C)(CCS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2166419083 QRZORXLXOOBTBF-UHFFFAOYSA-N 401.363 1.827 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N[C@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174781822 JIRIKLYIECEQBR-PMPSAXMXSA-N 400.545 1.682 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@](C)(CN)CCS(C)(=O)=O 2194765682 WSBGPSYFFUVUSH-IBGZPJMESA-N 401.573 1.473 30 10 HDEE CC(C)(C)OC(=O)NOCCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243418303 ZXMYFIXWXCMDOF-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1C(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243674914 PJPSVTKGPLWIEW-RYUDHWBXSA-N 423.344 1.972 30 10 HDEE Cc1nn(C)c(C(=O)N(C)CCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247825880 KKZJWHRPGVPXPG-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247827229 GERMEQCRWNAPID-IMRBUKKESA-N 418.303 1.304 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247844352 APKTZKDXAYBRKA-CYBMUJFWSA-N 424.303 1.536 30 10 HDEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248404313 LSEAQQYTMMNTAB-HNNXBMFYSA-N 418.303 1.737 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258169490 OQUSFQZBZJQUEE-SJORKVTESA-N 408.476 1.176 30 10 HDEE Cc1nnsc1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267466007 SULGKEFEPNEWKE-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267710121 OAQLGVHDCLPNQN-JNDILOIQSA-N 407.388 1.234 30 10 HDEE C[C@H]1C[S@](=O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267711046 FINWHEHAQLXODB-APXPCNQMSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC(CO)(CO)C3)c2Cl)OC1(C)C 2281940035 KFZQEHRYRMJGPE-UHFFFAOYSA-N 401.721 1.518 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282200691 OAVSBIPJCGCMNJ-NWDGAFQWSA-N 401.359 1.941 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@H](C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282312402 WIGCYFPLZASTPL-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315344 MNNUPDIJLGZUQB-RYUDHWBXSA-N 421.415 1.746 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282332364 ZQRMZGHNENVADM-STQMWFEESA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@](C)(O)CC3)s2)OC1(C)C 2282340999 MGMOVFYVQNTYDT-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC1(CO)CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282410014 UOIMSJCYRFEPIY-UHFFFAOYSA-N 402.347 1.023 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCOC2=O)c1B1OC(C)(C)C(C)(C)O1 2282494617 ADRBKIYRLOZCGX-NSHDSACASA-N 401.315 1.258 30 10 HDEE CO[C@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282502560 MXRCDTFZZDNFNZ-NEPJUHHUSA-N 402.347 1.429 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282502766 PNKDWHXKJRDCKV-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282504311 NBGNURKFWSBFRC-RUZDIDTESA-N 421.415 1.711 30 10 HDEE C[C@H](O)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2282612941 IFPBDAVBNZHZNW-CMPLNLGQSA-N 401.721 1.923 30 10 HDEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CC(S(C)(=O)=O)C1 2282616334 ZZBJPZRPEKFLDY-UHFFFAOYSA-N 400.331 1.090 30 10 HDEE CC[S@](C)(=O)=NCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849412 BABWIRVEKFEMBX-VWLOTQADSA-N 422.403 1.443 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)CCCCN2)OC1(C)C 2282851045 WRQJLECQQBJKBD-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CO[C@@H]1C[C@@H](CF)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282860407 ZQACXPBKTFEOSW-NWDGAFQWSA-N 405.322 1.795 30 10 HDEE C[C@H]1CC[C@](O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861349 MUEVISRYXKLHNM-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCc3nncs3)ccc2Cl)OC1(C)C 2282872265 UBZPDFYQWIEPIA-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCC[C@@H]3N)ccc2Cl)OC1(C)C 2282872378 VSIIGXYBIIYJAU-GJZGRUSLSA-N 400.737 1.797 30 10 HDEE CN(C)C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282881659 ALIQNOICYAYRNK-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CC1(C)[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284407376 KXWXZYSVOFYEDV-VXGBXAGGSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H]2CC(=O)O)OC1(C)C 2284412681 XACVNJZJGFDJQG-NSHDSACASA-N 401.315 1.675 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2300282463 WDJLTRAXFQSOFJ-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2365204914 PSYCEEFLDLIHBF-BEFAXECRSA-N 402.557 1.817 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808529 DBDQMSDEZDQEEZ-RLFYNMQTSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCC1(C)C 2367814135 BXSHNYPTVKBBLT-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(CCNC(=O)OC(C)(C)C)C1 2367829841 DEOCHBUWHAEHBA-XAUUPUKJSA-N 400.541 1.211 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCC[C@H]1NC(=O)OC(C)(C)C 2372808546 UCBRUEGSVFDMEI-LBTNJELSSA-N 402.513 1.562 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(C)(NC(=O)OC(C)(C)C)C1 2375226404 JTHQOLCULMAPGA-NLNFPOJYSA-N 400.497 1.009 30 10 HDEE C=CCC1(N[C@@](C)(C(=O)O)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377178444 OIHLHWPPFLCSFZ-SUMWQHHRSA-N 402.513 1.420 30 10 HDEE C=CCn1c(SCC(C)=O)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 21232048 BSFGTFSILXUYIG-UHFFFAOYSA-N 422.532 1.833 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)N3C(=O)COc4ccc(N)nc43)cc21 96495449 XZRALZSPCTZGEL-GFCCVEGCSA-N 408.414 1.572 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 437488174 CSIXWNOZOFWOSF-LPHOPBHVSA-N 408.520 1.727 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccc(Cl)cc3[nH]2)C1=O 440737382 LOOQHAKPYSXYIH-CQSZACIVSA-N 415.837 1.857 30 10 HDEE CN1CCN(CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1(C)C 441803301 QPWRNEXALXCDMA-UHFFFAOYSA-N 415.929 2.545 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCOC)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 481977192 ZANIBWZYOHUJRJ-OAHLLOKOSA-N 420.487 1.134 30 10 HDEE COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 482493309 FTUCXINUJWUFLV-ACJLOTCBSA-N 405.451 1.868 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1COc2ccccc2O1 484626416 IXRZNAAJLNNJCD-GOEBONIOSA-N 415.471 1.571 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 486333782 PRHVVSCKMSNQQA-SJLPKXTDSA-N 423.491 1.717 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1(C)CCCC1 489885511 NRYVVANPMBJLOV-UHFFFAOYSA-N 404.536 1.656 30 10 HDEE C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 497556807 QALJFPZYFHLWSA-AEFFLSMTSA-N 405.520 1.986 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 508670120 KWZPPBCIABPLKQ-XJKSGUPXSA-N 412.450 1.986 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 509408526 ABDJCZOMXXXCLK-HWWITLHISA-N 408.568 1.826 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCO[C@@]3(CCCOC3)C2)cc1Br 509592086 MLJKEJNUCYAGTF-HNNXBMFYSA-N 401.282 1.891 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cn1C 510108386 CTMYEHFGOHJPKF-UHFFFAOYSA-N 402.411 1.382 30 10 HDEE COCCN(CCOC)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 511402038 ZRWSPCDTLATUSD-UHFFFAOYSA-N 415.943 1.960 30 10 HDEE COC(=O)CCc1nnc(NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)s1 526998937 PFFLKBRYRIKQHK-UHFFFAOYSA-N 404.452 1.667 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 533222501 VNFPXXPYJJWYCR-SFHVURJKSA-N 420.579 1.128 30 10 HDEE N#Cc1cccc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 540534330 MAVARWLNYRMLGF-LEWJYISDSA-N 403.486 1.956 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2cc(F)ccc2Br)CC1 541409416 UOGCPPMSKKBBHW-UHFFFAOYSA-N 412.303 1.967 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)cc2)c1N 542431577 JLCHXWDDMCHJEY-GOSISDBHSA-N 401.430 1.647 30 10 HDEE CN1CCN([C@H](CNCCS(=O)(=O)c2cccc(C#N)c2)c2cccs2)CC1 565433240 TVWVZTAAUMTCRP-LJQANCHMSA-N 418.588 1.972 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)c1 568240017 YTYDENBIDWFOEY-SFHVURJKSA-N 418.519 1.518 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1C#N 573303484 ZIAXACICDGMDON-UHFFFAOYSA-N 424.486 1.818 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 586791739 DZVKVALXKXXEOK-UHFFFAOYSA-N 408.499 1.408 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 609686323 AHLZHYLVYCQRTH-LJQANCHMSA-N 417.510 1.699 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1C 610798347 RVILAAGAGRXZJT-ZDUSSCGKSA-N 401.444 1.959 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1NC(C)=O 619209648 UBRRXVVIZFFVHZ-UHFFFAOYSA-N 415.475 1.431 30 10 HDEE N#CCOc1ccc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 727676936 UOZFFSJFIUERDE-NRFANRHFSA-N 418.453 1.681 30 10 HDEE Cc1cccc(N2CCN(CCCNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)c1 732673651 CRDKOCBPVWDLRX-JOCHJYFZSA-N 410.566 1.889 30 10 HDEE C=C(COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C(=O)OCC 734027058 RHFKPTFXPZFJLT-UHFFFAOYSA-N 410.492 1.813 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@@H]1c1cccnc1 740923653 LPCBPUQKHWGRKV-LPHOPBHVSA-N 420.473 1.687 30 10 HDEE COc1ccc(COC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1C#N 747022211 IKQMDCBKGDJZCB-UHFFFAOYSA-N 416.455 1.945 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3cccs3)c2=O)cn1 748064496 UREYGGHSOUEJMR-UHFFFAOYSA-N 410.524 1.625 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)Cc2cccc(C#N)c2)s1 750434155 ONEUKBWFTHTVNK-UHFFFAOYSA-N 406.485 1.680 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](O)c1c(F)cccc1Cl 752963360 GBWUFDXOEMNJKN-ZBKNHHFJSA-N 410.833 1.727 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753130954 PQLSVOXSHMEITB-KRWDZBQOSA-N 415.494 1.873 30 10 HDEE C[C@@H](C#N)CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CC1 754174545 HRSPVWSAMZCKNC-XJKSGUPXSA-N 417.487 1.774 30 10 HDEE CC[C@@]1(c2cnn(C)c2)NC(=O)N(CN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 755738319 HHWLQJWZRDPFIO-QFIPXVFZSA-N 422.489 1.950 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCOc1cccc(C(F)(F)F)n1 759418174 CRTFTWZKNGFHET-CCEZHUSRSA-N 413.356 1.305 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)C2CCN(C(=O)N3CCCC3)CC2)CCCCC1 760404543 RQAQDPAKOYCXQW-UHFFFAOYSA-N 410.540 1.834 30 10 HDEE CC(=O)[C@@H]1CC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)=NN1c1ccccc1 760793697 OYIQKSPWZICCCZ-FQEVSTJZSA-N 402.458 1.826 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(Cc2ccn(C)n2)C1=O 765546297 BNYMBJRASOGIBX-OAHLLOKOSA-N 401.448 1.417 30 10 HDEE COc1cc(CN2CCN(C3CC3)[C@@H](C#N)C2)ccc1OCC(=O)N1CCOCC1 769414523 CQADOPQLWOMHFT-IBGZPJMESA-N 414.506 1.105 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 771289098 XMNQPKYXUXCAQZ-QGZVFWFLSA-N 402.520 1.825 30 10 HDEE C#CCN(C(=O)NC1CCN([C@H](C)c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 774255365 YGJJGYRHGRDGTN-VQIMIIECSA-N 404.536 1.439 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nnn(Cc3cccs3)c2=S)n1 788368918 BGVJVPCAUUBEGK-UHFFFAOYSA-N 403.537 1.855 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790808734 ROAXOYPFLUJSDE-KSSFIOAISA-N 401.529 1.482 30 10 HDEE COc1cc(C=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc(OC)c1 794726524 UHGPCRGGAYIIOB-INIZCTEOSA-N 412.508 1.726 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H]2CCCO2)CC1 802680615 XMBNZZLMOOINDM-SFHVURJKSA-N 409.490 1.651 30 10 HDEE C[C@H](OCC(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1nccn1C 805691198 ZGSMMLYNDSCSIA-AWEZNQCLSA-N 408.418 1.737 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CCN(C(=O)CC#N)CC1)=NO2 807922641 HDUKLKDFGOUETJ-UHFFFAOYSA-N 419.482 1.117 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)CC2(C#N)CC2)CC1 815412010 MXZUWLNNIVDYQB-UHFFFAOYSA-N 412.490 1.569 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)o2)c1=O 838176754 FQLIEBXIABXYAZ-UHFFFAOYSA-N 424.478 1.852 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1-c1ccccc1C 917771764 VMAWLMDQKVBOGZ-UHFFFAOYSA-N 422.535 1.778 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCC(=O)NC[C@@H]1CCCO1 918022421 MNLPYSKAJRSNSS-VIFPVBQESA-N 419.381 1.608 30 10 HDEE Cc1nn(C(C)C)c(C)c1C=NNc1nnc(SCC(=O)NC(C)(C)C)n1N 1084370496 BPNOVVXOILQHRD-UHFFFAOYSA-N 407.548 1.839 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)CC1 1128545913 BSEUNRZDVPZQGQ-UHFFFAOYSA-N 424.954 1.922 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1142008269 UYJTWQQYUGEFIX-HNNXBMFYSA-N 416.455 1.676 30 10 HDEE COC(=O)[C@]12CCC[C@H]1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1153630581 GQFWJWGUTFNFNI-XOBRGWDASA-N 419.503 1.307 30 10 HDEE C=CCCC[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OC 1155474658 IPABMYZUUKWYFO-CYBMUJFWSA-N 402.444 1.038 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(OCCOC(C)C)CC2)cc1 1161600599 VILDNHXXXMMJFD-UHFFFAOYSA-N 408.520 1.644 30 10 HDEE C#CCN1CCC(NC(=O)CCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1178206864 AVLFENXPJQSQOQ-UHFFFAOYSA-N 405.564 1.864 30 10 HDEE CON=Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1179999594 BKFBAISKSZBMJC-MRXNPFEDSA-N 416.478 1.617 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(F)c1Br 1186113927 ZFHRCSJVDIBHCM-UHFFFAOYSA-N 414.260 1.694 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H]2CCN(c3sccc3C#N)C2=O)CCO1 1196553292 BWBFPYWFRGOKMF-QRWLVFNGSA-N 421.519 1.784 30 10 HDEE N#Cc1ccc(CCNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1252977103 FWCRFQLCBUSBFD-UHFFFAOYSA-N 411.506 1.246 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC(F)(F)c3ccc(F)cc3F)C2)c(=O)nc1O 1255011570 ZSWWATGNRFUJDS-UHFFFAOYSA-N 411.315 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1286274223 MXXSIEYNOBSFPM-IWKLRQMXSA-N 409.556 1.551 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCn1cc(CO)nn1 1286369934 YCNBDCAYIBFALA-UHFFFAOYSA-N 418.461 1.844 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1286754882 IPTRGNKVCUVFRN-UHFFFAOYSA-N 422.580 1.830 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1286786127 XWDAOUURNAIGQR-QGZVFWFLSA-N 405.462 1.695 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)cs1 1286819808 WQDUSIBXHIXWHG-HNNXBMFYSA-N 423.564 1.836 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1286967143 FENJLAGNEYUNEN-SFHVURJKSA-N 410.570 1.886 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC2(CS(C)(=O)=O)CC2)n1 1290593238 HOUGLILIUZBKJU-AWEZNQCLSA-N 419.555 1.560 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1293700045 IVTHJCXBBLQSAC-LIMHQNJXSA-N 406.494 1.789 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)cc1 1296162567 VRQXIGPJLDPLLQ-IEBWSBKVSA-N 406.360 1.959 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)CCOC1 1296583966 HKJSBBVHZHKGNQ-APWZRJJASA-N 423.539 1.105 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(CC)CC)CCOC1 1296665013 QWHZECUCHLSNMI-UWVAXJGDSA-N 406.531 1.389 30 10 HDEE C#CCN(CC(=O)N1CC[S@](=O)C[C@@H]1c1cnn(CC)c1)C(=O)OC(C)(C)C 1297282077 DOKDNMAEZMQQOG-HJWYETAXSA-N 408.524 1.405 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300367920 LVUPLABQEWECPA-UHFFFAOYSA-N 418.505 1.654 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)Cn4cc([N+](=O)[O-])cn4)CC3)n[nH]2)cc1 1300414357 LESWIMZEPZGBFY-UHFFFAOYSA-N 406.406 1.402 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCC[C@@H]1NC(=O)NC1=O 1300446137 GJIYRVSFDXJVNV-AWEZNQCLSA-N 404.833 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C1CCC1 1300455291 HLAYJKBHGWMGGU-UHFFFAOYSA-N 419.489 1.970 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1300456168 WNQFQSXLBSLSOM-UHFFFAOYSA-N 408.462 1.593 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1300487683 LDIQINTWPAVVTO-SFHVURJKSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1 1300538614 SUSFLVOYBLYELQ-QZTJIDSGSA-N 412.515 1.721 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@@H]1C 1300578146 IBMBCVPORWGASH-MONBJTKQSA-N 422.485 1.793 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1300649828 WWGHRDZRQKGZBB-GCJKJVERSA-N 413.497 1.628 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)C2CC2)CC1 1300719610 IQHPSUQUKLABBI-QFIPXVFZSA-N 408.506 1.467 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1300800914 CGWVBMSFNWNSCN-VGOFRKELSA-N 413.570 1.247 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1300899595 GYWSPDVBEJYREU-HNNXBMFYSA-N 407.540 1.831 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@H](C)CC(N)=O 1301503325 ZBNMDTHKEQZMNI-CYBMUJFWSA-N 404.902 1.525 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1301519616 QLQAFXYMRGUGJR-UHFFFAOYSA-N 423.521 1.311 30 10 HDEE COCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1302229199 BSGWRNOUAGXXMO-GOSISDBHSA-N 422.486 1.375 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1302231528 WODUUQZUOGPNEA-UHFFFAOYSA-N 401.467 1.618 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1303642847 ZMTIDFQLHVMVPX-DLBZAZTESA-N 424.571 1.031 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)C1 1307991365 YMWRTXOLOCFYTF-XMSQKQJNSA-N 405.458 1.817 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2ccc(OC)c(S(=O)(=O)N(C)C)c2)CC1 1308091115 XLTDHFUXIKATOW-UHFFFAOYSA-N 411.524 1.287 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1 1311903060 MPVMJBMUTUPDJC-KRWDZBQOSA-N 401.511 1.994 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1312480503 KSXPTVRXTTUJPW-SFHVURJKSA-N 409.494 1.952 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1312487112 VNDBDMVXEXAQTA-OALUTQOASA-N 417.469 1.941 30 10 HDEE N#C[C@@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Br)cc1 1318781995 NTLLOMYXQMAQDO-CQSZACIVSA-N 404.268 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1358894195 KBYWNOMSTFNLKK-NVXWUHKLSA-N 405.506 1.889 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358936528 PRGDDONDBOKBBT-GOSISDBHSA-N 408.510 1.783 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CCN(CC)CC1 1359024115 FJZHNQYJZFEFML-WOJBJXKFSA-N 418.586 1.632 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(C)nc2)CC1 1359030211 QPAIKQYKTVFCLQ-QHCPKHFHSA-N 424.549 1.826 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@H](C)C2)CC1 1359038505 YQPFYXIBLGTXJI-IBGZPJMESA-N 424.597 1.627 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)COC)CC1 1359039186 ZFXPAMZIJTXFGQ-GOSISDBHSA-N 408.506 1.766 30 10 HDEE C=CCN(c1nnc([C@H]2CCCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359250521 MWFNPGMAFRXPQR-DOTOQJQBSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1359299997 RBGRGGRPUWQBJP-QZTJIDSGSA-N 413.526 1.821 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2nc(C#N)cs2)c1 1439707368 HCUHJBNXPJDQKH-UHFFFAOYSA-N 408.505 1.984 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1450328257 NOHQCFHVDVBVDE-MRXNPFEDSA-N 422.503 1.653 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2ncc(OC)c(O)n2)cc1 1456151118 HDSCVOCGDXOAEQ-UHFFFAOYSA-N 406.464 1.320 30 10 HDEE COc1cc(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc(OC)c1 1457317109 YQBILILREAOBNP-UHFFFAOYSA-N 417.487 1.787 30 10 HDEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)C1=O 1460367079 HJHRYNRLLBSCJI-HUUCEWRRSA-N 411.462 1.612 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCc3ccccc3NC2=O)c1 1469664437 IGEWBTWZEXBGJV-QGZVFWFLSA-N 401.419 1.806 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 1469730498 WBVIGKJLTYCXHX-KSMMKXTCSA-N 410.471 1.109 30 10 HDEE Cc1[nH]nc(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)c1C#N 1470197727 RSWBYQGKEGURQO-UHFFFAOYSA-N 402.480 1.961 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1 1471235370 VNMLBAVKKQAJPG-WKILWMFISA-N 420.491 1.803 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CCO[C@H](C#N)C3)c3nccn32)C1 1471474779 MTAAEXWZZWUOJR-KGLIPLIRSA-N 402.455 1.208 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CN(c2nccn3nc(C)cc23)C1 1472388301 LJWHMCYFJVDFEH-MRXNPFEDSA-N 412.494 1.649 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(Cc2cccc(CN3CCOCC3)c2)c1=O 1473034474 HBHNSJLGBNSDNC-UHFFFAOYSA-N 408.502 1.433 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H](C)c4ccccc4)CC3)CC2)o1 1473753919 DFINQKUTNYMFOD-SFHVURJKSA-N 422.533 1.882 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F)C(=O)OC 1475240158 NQDMSSLOCJGQHI-NSHDSACASA-N 410.370 1.210 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1)C(=O)OC 1475577735 AFCHKFNXGOVTIJ-HNNXBMFYSA-N 422.500 1.762 30 10 HDEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478496322 CKJVIYFEGBTRNT-ZVDOUQERSA-N 418.563 1.723 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479381598 ODQYCJUHKTVJKD-JKSUJKDBSA-N 421.494 1.363 30 10 HDEE C#CCC[C@@H](O)CNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1479456087 YHPIJZBOBZAOET-CABCVRRESA-N 403.483 1.347 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCOCC1 1507545725 AIBMUQQMUVYLQU-BZSNNMDCSA-N 405.543 1.571 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CC#C)CC1 1507569090 CEQZQQJAQMBAEN-UHFFFAOYSA-N 410.547 1.828 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCS(=O)(=O)CC1 1507572510 LZOPLQBGEKFTKB-UHFFFAOYSA-N 415.519 1.795 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1507679001 PLHHASXIVCGVSW-HNNXBMFYSA-N 417.583 1.956 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1507771538 BGIKQYRYYXWCKL-JXXFODFXSA-N 405.568 1.655 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1507952619 WQLQKTCIFGFRGC-UHFFFAOYSA-N 415.542 1.751 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cs3)CC2)nnc1C(C)(C)C 1508098460 PJPJKURYFFCZSD-UHFFFAOYSA-N 403.556 1.969 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](OCC(C)C)C1 1508141623 WCFMZBQIJSFCRH-MRXNPFEDSA-N 420.539 1.587 30 10 HDEE CC(C)(C)NC(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1508631204 NKTXNJQPZDDMID-UHFFFAOYSA-N 409.494 1.995 30 10 HDEE COc1ccc(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1518228243 CUZFVJHWWVMLSI-AEFFLSMTSA-N 413.478 1.771 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCC2(C1)OCCO2 1519161719 ALFIOFUHBFHNGB-HZPDHXFCSA-N 418.498 1.139 30 10 HDEE CS[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519755176 UPKSKRHQFROVNZ-GFCCVEGCSA-N 410.507 1.965 30 10 HDEE CC(C)[C@H](C#N)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1528204361 VIDZLVWXYLMSSL-XOBRGWDASA-N 411.499 1.999 30 10 HDEE C#Cc1cccc(CNC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1 1528520888 CLRUVFDJBODGFS-UHFFFAOYSA-N 405.497 1.416 30 10 HDEE COc1cccc2nc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)sc12 1530081043 KWWYCTUHEASAEC-UHFFFAOYSA-N 402.457 1.982 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21)[C@@H]1CCS(=O)(=O)C1 1530298261 XRABJIMSTCBQJQ-MDNXKNQGSA-N 408.317 1.984 30 10 HDEE COCc1nnc2n1CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1531126091 FVJHUDBMHGMRSN-UHFFFAOYSA-N 403.464 1.158 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(-c3nnsc3Cl)c2)C1=O 1534194212 NHVFQTADIFNYOD-UHFFFAOYSA-N 405.823 1.774 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)c1 1534421863 JDHBWEYJXZDERA-UHFFFAOYSA-N 403.442 1.993 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCSC[C@H]1S(C)(=O)=O 1534632630 CADIJVJPWXDSGG-QWHCGFSZSA-N 405.542 1.520 30 10 HDEE CN(CC(=O)NCc1ccc(C#N)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1536228825 WSXJQFQZCCLZRB-UHFFFAOYSA-N 406.395 1.542 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CNC(=O)C[C@H]3C(F)(F)F)CC2)c1 1537813473 GJLKRLGKAZBKDJ-IAGOWNOFSA-N 408.424 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1538965692 PWSOCPMJFAMINM-HZPDHXFCSA-N 404.478 1.842 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1539145495 LZHMGJXUVWWAAI-FQEVSTJZSA-N 424.549 1.777 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539226458 YRYIHQRUQWRQBG-OAHLLOKOSA-N 419.576 1.925 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1 1539265694 JLOFPYVOJSLIMK-GOSISDBHSA-N 412.515 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C1CC1 1539320715 ZPXAODAARIJDAH-UHFFFAOYSA-N 405.458 1.663 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539441531 SGEGHNCPILCFAF-UHFFFAOYSA-N 413.547 1.668 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@H]2CCOC2)CC1 1539446501 DQNYOQZCLRUKBH-WOJBJXKFSA-N 417.554 1.371 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539499505 LPHXWBUEJJGGND-SFHVURJKSA-N 421.530 1.739 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3n(c2C#N)CCOC3)cc1C 1539553037 CPVPPUKXIJVUFN-UHFFFAOYSA-N 403.464 1.161 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3ncccc3C#N)CC2)CCOCC1 1539674711 DYIFJQLFWKUMPD-UHFFFAOYSA-N 400.479 1.740 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1540591069 LKRGZCIMKXYSQJ-UHFFFAOYSA-N 417.510 1.782 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1540862259 WQYIDRBYQPVYRU-JKSUJKDBSA-N 419.574 1.418 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1541945033 ATTUNGMDMGAWNB-UVPYHEFZSA-N 408.528 1.053 30 10 HDEE Cc1nnc(N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)n1Cc1ccc(C#N)o1 1543319812 MSFLAHVDXNARLD-MRXNPFEDSA-N 411.510 1.623 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1555524945 LKFFTPZAUPPSMI-RTBURBONSA-N 423.521 1.110 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1556737421 DPEJWEQPLNQPIN-GJZGRUSLSA-N 403.545 1.728 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2noc(-c3ccco3)n2)s1 1558338398 JRZTYKQVGOZKAV-UHFFFAOYSA-N 408.461 1.714 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H]1CCO[C@]2(CCOC2)C1 1561423493 DBTJMCUGYHQXCF-DZGCQCFKSA-N 401.282 1.937 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1564601023 DEVVWRAZPHTERH-UHFFFAOYSA-N 421.523 1.366 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1cnn(CCN2CCOCC2)c1 1565601827 DJOBWLHUDXNRHB-UHFFFAOYSA-N 410.478 1.834 30 10 HDEE C=CCN(CCC#N)C(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1569599812 MCHZAFHHCXTZLY-PKOBYXMFSA-N 405.520 1.862 30 10 HDEE Cc1ccc(C(=O)Nc2cccnc2-c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1570067543 VMIFAOQYVLADIK-UHFFFAOYSA-N 410.459 1.845 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1587023094 VTCRUVTYCUCDMO-IVCIFJJHSA-N 416.522 1.899 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1587626079 GQWVIANJQGRJJZ-VXGBXAGGSA-N 422.415 1.608 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1587641287 YWCGDEBGCVFCAH-OKZBNKHCSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(F)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1588034447 GFFQCYAVIOVRQK-RTBURBONSA-N 419.526 1.655 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1588084915 XXAYOQIKILTCHV-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC=CO1 1588109361 CTNFAFCMHJYFJR-LJQANCHMSA-N 400.446 1.686 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(O)CCC)CC1 1588876558 CNCYCDPKCDYINV-BBTUJRGHSA-N 405.543 1.308 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H]1CCOC1 1589027597 PGYFQOVVNDJRGG-MRXNPFEDSA-N 424.534 1.760 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589546968 SVVQFOYTQFARKF-TVKQPGBESA-N 406.527 1.818 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1593605160 HENWBEWWPWWHCZ-HZPDHXFCSA-N 416.478 1.899 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1593809077 WXZWEZCYXBPDKE-STQMWFEESA-N 401.858 1.393 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1595176193 ZAZUPFJFFQEHCY-UHFFFAOYSA-N 400.385 1.199 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OC)C(F)(F)F)C1 1595714485 OEHJVCRQUWRTJX-MGPQQGTHSA-N 417.432 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595797740 IILUHFKWZJDUCC-CHWSQXEVSA-N 424.445 1.150 30 10 HDEE CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607497175 CMTITWCRCAMARH-YLJYHZDGSA-N 421.501 1.752 30 10 HDEE COC(=O)[C@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C2CCN1CC2 1614684826 CZEBSGAPEPIADD-LJQANCHMSA-N 400.328 1.807 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1618435263 HLKSGQHQYYLXKZ-MRXNPFEDSA-N 417.539 1.305 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN[C@@](C)(Cn1cccn1)C(N)=O 1620657388 QBVKVTZCOWCDRA-LIRRHRJNSA-N 400.508 1.750 30 10 HDEE C=CCC[C@H](NC(=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1)C(=O)OCC 1624302864 ANJKFWOZZRPGCW-BBWFWOEESA-N 408.495 1.983 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1624379912 HBOFXVSQOPDMIR-LJQANCHMSA-N 412.469 1.985 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1631900203 QNIWEGMIVXESQW-DLBZAZTESA-N 406.527 1.234 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(C(C)(C)C)cc2)CC1 1632961091 SZTFGVZCNPUWBD-UHFFFAOYSA-N 421.563 1.755 30 10 HDEE C#CC1(F)CN(C(=O)CCCCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1633365941 SKYYLOIDVCDGFD-UHFFFAOYSA-N 410.467 1.480 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCn2cccnc2=O)C1 1634872803 TXXKFTYIGCFQFJ-UHFFFAOYSA-N 416.279 1.520 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2ncccc2Cl)s1 1635335892 PGDDVLPBXLHNPT-UHFFFAOYSA-N 415.924 1.999 30 10 HDEE CN(C)CC(C)(C)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1635862261 UWVFYXKSROWORY-UHFFFAOYSA-N 406.552 1.663 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C[C@H]2NC(=O)NC2=O)cc1)C(=O)OC(C)(C)C 1636391587 SSRZSHHQIJJOTL-OAHLLOKOSA-N 400.435 1.246 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@](C)(C(=O)OC)C2)s1 1638218647 VTFVWDZSEOQFPH-KRWDZBQOSA-N 400.522 1.557 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1638678366 HVTTZMQZUJVEAP-UHFFFAOYSA-N 423.517 1.858 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)co1 1638906514 VLGXYPFUDHJWLN-OAHLLOKOSA-N 403.464 1.513 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 1639567932 BOSTZWYYRFZGBR-INIZCTEOSA-N 409.508 1.565 30 10 HDEE CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1(CO)CC=CC1 1640335524 ZLPNLLPEYVLAPN-SFHVURJKSA-N 405.520 1.962 30 10 HDEE C=C[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 1641133390 XZONTFLXYUKJKQ-QLFBSQMISA-N 402.520 1.999 30 10 HDEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)n1nnc(-c2ccccc2)n1 1641856050 YWRMQAOVCLTLAU-CQSZACIVSA-N 420.429 1.805 30 10 HDEE C#C[C@H](NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CCOCC1 1641858635 VGXDBDLEAYDFJZ-WMZOPIPTSA-N 409.527 1.587 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(c3noc4cc(F)ccc34)CC2)c(=O)nc1O 1641961393 GXCJMBBYMXYVHT-UHFFFAOYSA-N 411.393 1.897 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1[C@@H]2c3ccc(Cl)cc3C[C@H]21)c1cc[nH]n1 1641994167 WKTGAQAYAXKPKF-KBRIMQKVSA-N 402.838 1.801 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)c1 1644916846 YDPFAKQZYNINJQ-KRWDZBQOSA-N 405.472 1.135 30 10 HDEE CN1CC[C@@]2(CCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C2)C1 1645749861 GLKXETLTQKLIJG-RXVVDRJESA-N 401.580 1.875 30 10 HDEE C#CCN1CCC(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1645782045 WTNRWJYDRXKVOP-UHFFFAOYSA-N 413.337 1.827 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1646119059 LUYJRGLOXQMRHE-QWVSSGJLSA-N 421.500 1.917 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC3(CCCC3)OC[C@H]2CN(C)C)CC1 1647787806 NYFOKSXBICLFDO-WOJBJXKFSA-N 405.587 1.254 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1C[C@H]1C1CCOCC1 1648977738 LGHRVEAMGXNGGN-RDJZCZTQSA-N 405.520 1.684 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](C)C(=O)c2ccc(Cl)cc2)CC1 1650846403 VOFQAAPBCZXTGL-AWEZNQCLSA-N 411.911 1.161 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ncsc2Nc2ccccc2)CC1 1650849181 WYTHUVRUPJPXKI-UHFFFAOYSA-N 405.505 1.112 30 10 HDEE CC1(c2cccc(CNC(=O)CNS(=O)(=O)c3cccc(C#N)c3)c2)OCCO1 1654678013 IDWJPZGQQZOJID-UHFFFAOYSA-N 415.471 1.372 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)[C@H]1CCCO1 1663478241 QBJZGQYHRKGYPS-QZTJIDSGSA-N 404.492 1.550 30 10 HDEE C#CCC1(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCOCC1 1666222065 RWPVMLBEXWVXNH-UHFFFAOYSA-N 404.488 1.555 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)nn1 1671576708 OLEUKEQDIAZOLS-QGZVFWFLSA-N 407.434 1.114 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](S(=O)(=O)NC)C2)c(C#N)cn1CC 1672913475 IDDIHGLLXDTTDD-ZDUSSCGKSA-N 411.484 1.102 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1 1675718755 BZOGERSCMZVSPX-WKILWMFISA-N 415.519 1.771 30 10 HDEE CCOC(=O)c1c(NC(=O)N(C)[C@H](C)CN2CCOCC2)c(C#N)cn1CCOC 1676108574 FKVGEHBORUFNLV-OAHLLOKOSA-N 421.498 1.367 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1 1681969157 JYADRBZUKYTNJY-MRXNPFEDSA-N 423.535 1.730 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccccc1 1684095723 VWNPTEVZFRNRJD-VQTJNVASSA-N 420.517 1.956 30 10 HDEE C#C[C@@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(Cl)cc1F 1686922745 OYSKKZHQMDUPJL-IUODEOHRSA-N 403.863 1.113 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689998529 ONYULPXHYGLRNO-MDZRGWNJSA-N 410.540 1.163 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCOc1ncccc1F 1690015636 SYWQDRXDMQCKSA-UHFFFAOYSA-N 422.420 1.692 30 10 HDEE C#CCN(CC#C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1690025114 FRCFGQQDWAUEQQ-UHFFFAOYSA-N 420.561 1.487 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1CCCN1C(=O)NC2(CCCC2)C1=O 1690086185 UQVPICICZXNELL-UHFFFAOYSA-N 402.499 1.529 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1 1690171031 UYMPZUTUIJLGMQ-UHFFFAOYSA-N 416.507 1.041 30 10 HDEE C#CCSCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1690186731 UIIWPFJZXVVBJB-HXUWFJFHSA-N 421.567 1.388 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1690312962 HOZQWJGOYYTDJG-INIZCTEOSA-N 422.555 1.451 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 1690414583 CCJMLWBKNZVTHB-MRXNPFEDSA-N 400.527 1.718 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2cccc(OCC)n2)CC1 1690659530 VTDYTVDIJZBWLC-UHFFFAOYSA-N 413.526 1.824 30 10 HDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1695143236 FRDSLOBZEOXBLO-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@H]1CCOC1 1696676161 IXVACJWRWVFITQ-OALUTQOASA-N 424.505 1.933 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1705500721 SHMIKDFHNULFAZ-OAHLLOKOSA-N 424.530 1.957 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1705574658 JRDDBFJCWRTZPM-JQVVWYNYSA-N 416.522 1.443 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1705580651 MIKHVHDTQMZGPG-GOSISDBHSA-N 412.538 1.191 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1705596279 ZHBSHDFYTLRHMJ-QGZVFWFLSA-N 424.505 1.189 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1705601865 YCUSBSRFKVVPFF-HSZRJFAPSA-N 416.485 1.670 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2C[C@H](COC)OC)CC1 1705637017 GMCSAVQJLGTBOS-LJQANCHMSA-N 420.517 1.910 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1705729289 RKZSYORVULCVFU-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705899154 JKXRXBSYMKWXOK-JOCHJYFZSA-N 421.505 1.733 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N(C)Cc2ccccc2)C1 1705902415 DKBUJSZMOYXOIT-WOJBJXKFSA-N 424.549 1.795 30 10 HDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1712130251 HBFYYVKEHRZFLL-HNNXBMFYSA-N 418.523 1.181 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1712454150 KFKKOITTYSTZPI-FUHIMQAGSA-N 405.499 1.487 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1722308576 CLGRIXJVEJDWOJ-QRQCRPRQSA-N 409.490 1.752 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368252 QCGPJXDXUZQFBE-XLIONFOSSA-N 402.520 1.375 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(F)c1 1722422034 PDBWYROJMWOMDL-AWEZNQCLSA-N 409.487 1.162 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)nn(C)c2OC)CC1 1722577246 BJNUNQWAIYAALE-KRWDZBQOSA-N 413.526 1.984 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2n[nH]c(C)n2)C1 1722710661 MRSJEYBGJKSVBX-OXQOHEQNSA-N 417.514 1.381 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1722740946 WIVPXIQLWFTMNR-SJORKVTESA-N 420.583 1.307 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@H]2[C@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1724657830 RUWYMISDZVTJJW-PLQJBLPLSA-N 401.551 1.900 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1726612571 AHHRWQPYPXONIW-UZAQASBGSA-N 400.483 1.543 30 10 HDEE C[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726619401 JXWNBHREZDXXIU-DNTCVELPSA-N 407.478 1.637 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1730481508 QCDVUHARNPSLSF-YLJYHZDGSA-N 401.442 1.797 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCN2CCCCC2=O)CCO1 1731186976 IDCSDHMASRFPML-GOSISDBHSA-N 409.494 1.395 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CCOCC(F)(F)F)CC1 1733371675 WHBVCHUXLSRNII-WKULXVSPSA-N 400.441 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1740549827 NXZGVTJYNMBOHO-OAHLLOKOSA-N 415.494 1.907 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1740592231 UHLRUPYDVYQQAH-BBWFWOEESA-N 409.556 1.507 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ncnn2-c2ccccc2)CC1 1740703047 DUQIKJHOSYOPKZ-UHFFFAOYSA-N 404.478 1.181 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1740877105 YNWZXNJNWUIUQK-DLBZAZTESA-N 423.583 1.889 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC2(CCC2)C[C@H]1CC 1740947200 RSJGZWORXBQNPH-HZPDHXFCSA-N 409.556 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](OC)C1 1740994192 ODMFQURPWZMTBZ-KRWDZBQOSA-N 424.498 1.822 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1748731347 ASIBQRZIEPUCAY-BZSNNMDCSA-N 423.583 1.945 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748814620 HMVBPCXLGOEBHY-UWVAXJGDSA-N 424.567 1.206 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748817183 GJDUHSCFRAOJPZ-IAGOWNOFSA-N 420.560 1.713 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCCC 1748888306 SEZXNOUSMGNCDY-UHFFFAOYSA-N 410.478 1.385 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1748905843 JWPPMPOLXDXFDG-ZDUSSCGKSA-N 409.487 1.544 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCOCC1 1749073533 SRPFFLORGQFLPR-XMSQKQJNSA-N 414.554 1.361 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1749189800 TYZINMHTMRJUSF-GJZGRUSLSA-N 414.514 1.634 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)N(C)C 1751152724 QQFGZLMDUKQZPY-KSFYIVLOSA-N 423.521 1.538 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1760139527 GHZZEAIFSQTOIF-QGZVFWFLSA-N 405.506 1.987 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1760193924 AAGAKZNZWUGMDS-MRXNPFEDSA-N 415.519 1.326 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1760200399 GQITYSFNMCUVRN-UHFFFAOYSA-N 422.514 1.535 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1760210910 WLJLICTYYCPQDE-UHFFFAOYSA-N 417.473 1.525 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCn1cncn1 1760247757 OCKFJEPISWRSLR-UHFFFAOYSA-N 417.477 1.509 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)COC)CC1 1760268154 DENQIOIGTWZOME-UHFFFAOYSA-N 413.526 1.317 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](COCC)C1 1760521522 VVGNWPPXURUUAO-CQSZACIVSA-N 416.482 1.171 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1760557812 WWUQNGMVLVDMIE-SFHVURJKSA-N 423.583 1.717 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC1CCCCC1 1762572032 DWGDQNKVLQNOEF-UHFFFAOYSA-N 409.494 1.961 30 10 HDEE CCCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1765910835 SOUZPPXBDNDYQD-DHQBXBPASA-N 418.498 1.303 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1769276413 PVBARUBFYVRZRK-KRWDZBQOSA-N 416.457 1.096 30 10 HDEE CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1(C)C 1770623265 KYCVEUZZMJWLFK-IUODEOHRSA-N 422.511 1.262 30 10 HDEE COC[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1770721324 CONCASMQPMPSKL-CABCVRRESA-N 420.539 1.679 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1770727193 DCVPKCMUVMIMDU-BLLLJJGKSA-N 421.445 1.294 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccco2)CCO1 1771538894 JFBVMECLVMOIBU-OAHLLOKOSA-N 412.475 1.682 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)c(F)c3)cc2)CC1 1851284778 JURTUQYHSDESBA-UHFFFAOYSA-N 402.451 1.886 30 10 HDEE COCC(=NOCCCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853536534 FRPDOAJLZBHXPU-UHFFFAOYSA-N 412.556 1.196 30 10 HDEE CS(=O)(=O)[C@@H]1CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1853741909 QAMKRTPLFCAEFT-MSOLQXFVSA-N 403.504 1.127 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCC[C@@H](Oc4ncccn4)C3)C2=O)ccn1 1853985273 LFNQPJNHUOWANM-MSOLQXFVSA-N 406.446 1.418 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)c2nn(-c3ccccc3)c(=O)cc2OC)C1=O 1854617103 LPYPEOGUQZSWEY-QGZVFWFLSA-N 408.458 1.656 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636897 IJWVYPVUXHVFLZ-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)CC3CC(=O)C3)C2=O)CC1 1854865454 IPCJBBPOVQMPHS-IBGZPJMESA-N 410.474 1.541 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O)n1cncn1 1854999865 WGGJTNUJRXHHQJ-CRAIPNDOSA-N 407.478 1.503 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCCC#N)CC2=O)cc1 1855545595 ILGTZDAJKOALQN-UHFFFAOYSA-N 407.492 1.224 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1855597562 FYNXWZQGZYNARY-WMZOPIPTSA-N 400.483 1.071 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1Cc1c2c(nn1C)CCC2 1855701100 OPOPEMVCBIDLRO-MRXNPFEDSA-N 405.502 1.973 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855718475 UQSOKBCUARMVSC-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCN(S(=O)(=O)C3CC3)CC2)CCC1=O 1856636201 CTBCGZSOWDPYHU-SJORKVTESA-N 411.568 1.464 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)C[C@H]4CCCO4)C3=O)CC2)c1 1857020394 WKLSYNNVKFMIDO-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccc(Cl)n2)C1)[C@@H]1CCN(C)C1=O 1857068204 MFKZCEYHELFJDV-GOEBONIOSA-N 404.898 1.833 30 10 HDEE COc1ccc(CC(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857111732 IYBXVMJVSSCDRU-LJQANCHMSA-N 406.442 1.395 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861201579 JZGUBFLPUUKBLU-RDJZCZTQSA-N 406.914 1.214 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2c(c1)OCCO2 1862560755 IGTZWDFWBCZCDT-HXPMCKFVSA-N 410.426 1.999 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)cc1 1862626242 YQVSMJIATRDAPR-IBGZPJMESA-N 424.409 1.835 30 10 HDEE CCCCCCCOc1cn(C[C@@H](C)O)c(CN2CCN(CCO)CC2)cc1=O 1870412553 BXSAHMWWMWHWQX-LJQANCHMSA-N 409.571 1.688 30 10 HDEE C=CCN=c1nc(N2C[C@@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632453 NATIJEIQXVRASC-OKILXGFUSA-N 421.505 1.765 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(CCO)CC1)n2CC=C 1873561254 WFXXVQSRWDTQEX-UHFFFAOYSA-N 410.522 1.546 30 10 HDEE COc1ccccc1/C=N/n1c(SCCO)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874341220 DZBXXJXJSPKNJA-BBJIBYMTSA-N 403.508 1.978 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC1 1889471323 YVXCOVJWCIAKFR-UHFFFAOYSA-N 407.518 1.502 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 1900396535 QSCHRTCHDWYGHM-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CC#CC[C@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984841273 XKZRHNTUHBBWTH-ROUUACIJSA-N 417.506 1.995 30 10 HDEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccncc1 2040503098 CWCKUXRPDMCXIF-HXUWFJFHSA-N 409.442 1.985 30 10 HDEE N#Cc1ccc(Br)cc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118194659 NMUOLUXYYPLSAU-KOLCDFICSA-N 419.201 1.679 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174777052 DTRNMPCLANNSLQ-LSDHHAIUSA-N 401.529 1.920 30 10 HDEE COCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174780675 XDKDLBYSCYQJOR-TUBUQKNSSA-N 402.517 1.129 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)CC(F)(F)C1 2184238386 WKDLPNNPYBVOOH-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE CC(C)CNS(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186600816 WVYWGCUBQMDSKQ-GFCCVEGCSA-N 403.379 1.926 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)C[C@@H]1CCCCS1(=O)=O 2235503723 YYKSAOYAHFFMNB-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2243394143 CTXJZAJLNKAXBZ-CABCVRRESA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2247813519 KRRJELXVEPZMMU-UHFFFAOYSA-N 420.319 1.792 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247821209 WVFZNUKWQIBHML-CHWSQXEVSA-N 420.319 1.885 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3ncno3)cc2Cl)OC1(C)C 2267354215 AVAUGMSWIHOBII-UHFFFAOYSA-N 405.694 1.562 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2csnn2)OC1(C)C 2267728587 XJKXCUXSYALPQT-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@H](C)S1(=O)=O 2282001381 AMEDHOVGDISGTC-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@](C)(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322324 KCDCJIODTFUKEG-PXAZEXFGSA-N 401.359 1.938 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C[S@@](C)=O 2282322728 QDQFJMFFBRZWML-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE CC[C@@H](CCO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502296 JEJFMMCOAMBHPH-LBPRGKRZSA-N 404.363 1.270 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2CCOCC2)OC1(C)C 2282502965 SCLZIKICBBKGSY-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE CS[C@H](CO)[C@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602953 ZOUWPBGSCCFCIJ-GXFFZTMASA-N 400.737 1.876 30 10 HDEE C[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282827586 AIGJYWZLWYBWKA-AAEUAGOBSA-N 401.721 1.783 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CCO)C1CC1 2282834386 TWJSKYOSOBKEKU-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE CC[C@@H](CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC 2282840430 NHENKTALUVSHAP-LBPRGKRZSA-N 404.363 1.629 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CCCNC3)c2)OC1(C)C 2282857075 CFCSSZMVQCWIEH-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(O)CCSC1 2282868259 LBEZHPFULPVQRA-INIZCTEOSA-N 419.399 1.502 30 10 HDEE C[C@@H](CCC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284395475 LSVYJDOCHNKCLM-JTQLQIEISA-N 404.319 1.115 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C2(C)OCCO2)CC1 2362448501 KIQOKKZXZPGBOE-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362565022 YUWHQFXKAUXUPG-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363704737 VAYLCJHGMDKVGN-CABCVRRESA-N 413.565 1.815 30 10 HDEE C=CCNC(=O)Nc1nc(CC(=O)N2CCN(C(=O)c3ccco3)CC2)cs1 9786651 OGLJGNVWVAQSTG-UHFFFAOYSA-N 403.464 1.571 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)CCOc2cc(C)cc(C)c2)CC1 52304872 ZYHZVHGTSWNVFV-UHFFFAOYSA-N 402.539 1.060 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)CC1 53310498 FMBSTMAYKRJOCD-SFHVURJKSA-N 413.522 1.377 30 10 HDEE N#C[C@H]1C(=O)N=C2NC(N3CCCC3)=NC(O)=C2[C@@H]1c1ccc2c(c1)OCCCO2 72461380 IOKMGXSYIWPDEI-CZUORRHYSA-N 407.430 1.835 30 10 HDEE C=CCn1c(=O)/c(=C/c2c(F)cccc2F)s/c1=C(\C#N)C(=O)N1CCCC1 101221564 XUEBCFXZKJQMOX-WMPWSTJPSA-N 401.438 1.499 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 430012048 OYYGPIJCHCBUAY-GQIGUUNPSA-N 408.520 1.950 30 10 HDEE Cc1nsc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)c1C#N 461202064 ZYMAEHHGFMQPMM-UHFFFAOYSA-N 424.574 1.790 30 10 HDEE CC(C)(C)C(=O)C=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ncccn1 478263849 KYOXNDZVECOCOU-UHFFFAOYSA-N 410.524 1.906 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c1 478425005 GVKNRVUGUDEGLV-FQEVSTJZSA-N 407.474 1.898 30 10 HDEE COCCOc1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 480530987 WOPUETXAPSUTJQ-OAHLLOKOSA-N 417.487 1.567 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 482249408 OTTNEBMGXHJRTC-IAGOWNOFSA-N 413.478 1.720 30 10 HDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508895904 QDPNKZGCJXMRST-UHFFFAOYSA-N 413.482 1.640 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 508995328 BTGWHOQTZVQFKR-UHFFFAOYSA-N 424.549 1.830 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)C1=O 519098545 OYPSMKPTUIREES-LBPRGKRZSA-N 407.829 1.989 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N(C)CC(F)(F)F 527519528 WCWWGBWXHFQZAV-ZDUSSCGKSA-N 418.441 1.274 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)n1 544832487 SUFLTCFSZVBSMH-UHFFFAOYSA-N 404.430 1.074 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2nnc(Sc3nc(C)cc(C#N)n3)n2c1 561103124 AKVYKGFCAWVTEV-UHFFFAOYSA-N 403.493 1.881 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 568575718 LTFXHICFDPYETG-LIRRHRJNSA-N 417.462 1.964 30 10 HDEE N#Cc1c(NC(=O)CCN2CCCN(S(=O)(=O)C3CC3)CC2)sc2c1CCC2 575970627 GQQCSPPPYAVISX-UHFFFAOYSA-N 422.576 1.937 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 582253788 AIBLZZATWDTYLJ-HNNXBMFYSA-N 411.553 1.885 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCNC(=O)OC(C)(C)C)ccc1F 728873127 SUVYEJQGZVWZBL-UHFFFAOYSA-N 415.487 1.935 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 729810069 SFGDVZDIUQMQFL-IAGOWNOFSA-N 409.508 1.333 30 10 HDEE CC(=O)NCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730143789 VMCQGUVVAVDFIZ-QGZVFWFLSA-N 419.551 1.131 30 10 HDEE N#CCNC(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 731245595 KZXGIQACXJDRDB-JLZZUVOBSA-N 405.401 1.921 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(F)cc1Br 731851088 GMRDXSWSUJMGIP-BUHFOSPRSA-N 418.244 1.393 30 10 HDEE COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706333 MXWLRGZMAJTKIM-KRWDZBQOSA-N 415.450 1.019 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NCc3ccco3)n(C3CC3)c2=O)cn1 735069395 UGEDDFHCWLPDMU-UHFFFAOYSA-N 423.498 1.264 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 751330321 GMIYCBFDXSSWHN-SFHVURJKSA-N 412.519 1.605 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C)C1 760297321 WCUHFIJQWFBTOO-ZBFHGGJFSA-N 417.535 1.866 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@@H](C)C1 760750558 KPCMDCVDIZNGRW-DLFJBECYSA-N 421.523 1.584 30 10 HDEE CN(C)C(=O)Cn1cc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)nn1 764751877 GYEQHANTKGJNLR-UHFFFAOYSA-N 412.237 1.694 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccnc(CO)c3)CC2)cc1 765290397 OAQNFBHRALPPGH-UHFFFAOYSA-N 400.460 1.485 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)cc1 766627472 OXPPCOGTXHOKDX-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE CC(=NN[C@H]1CCS(=O)(=O)C1)c1cc2c(cc1Br)NC(=O)CO2 767352311 QWTCMUNDGKYJJG-VIFPVBQESA-N 402.270 1.281 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CCC1 771079553 ZNDNYHHTQMWHCT-UHFFFAOYSA-N 419.484 1.488 30 10 HDEE Cn1cc(/C=C\C(=O)OCC#Cc2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 771324954 IIMJPBHVPBJUMJ-YFHOEESVSA-N 408.332 1.591 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 771395215 CALUMSNTRZMOLI-ATDDHBJVSA-N 404.373 1.103 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774235699 SPNUSFQHWRBLBR-FQEVSTJZSA-N 418.563 1.553 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3cccc(F)c3C#N)c(C(=O)O)c2)CC1 776531733 RAWBUEWZIFLFFF-UHFFFAOYSA-N 418.450 1.948 30 10 HDEE C#CCN(C[C@@H](O)COc1cc(F)cc(Br)c1)[C@@H]1CCS(=O)(=O)C1 784338904 DCVYBCRNMATMIZ-HUUCEWRRSA-N 420.300 1.450 30 10 HDEE N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 786437872 SQQZHWIGNXLJKD-WYVHHVQNSA-N 406.483 1.069 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)CC1 787059808 HOALVIWMWONZKH-UHFFFAOYSA-N 404.474 1.288 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN2CCc3sccc3C2)n1 788898476 SIRHGQSOCZECHJ-UHFFFAOYSA-N 401.536 1.794 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCCN(C)C)S/C1=N/CCc1ccccn1 790016656 NPVGPLOKXQDVDV-YVPCQOEXSA-N 417.579 1.791 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2ncccc2O)c1 791767077 FJCCHHHYTXPUBL-OQKWZONESA-N 403.464 1.922 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 811528450 DDCLXLCAWGXZIC-BBRMVZONSA-N 422.507 1.351 30 10 HDEE C#CCNC(=O)CN1CCN(C[C@](C)(O)c2ccc(Br)cc2F)CC1 815037905 ZANBMHAOWPIXJH-SFHVURJKSA-N 412.303 1.163 30 10 HDEE COCCNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C 914539662 FYZAVKBQHMDVHN-MRXNPFEDSA-N 418.519 1.358 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1126937137 GTDZECSMLYFEKV-UHFFFAOYSA-N 407.474 1.677 30 10 HDEE N#Cc1cnc(C(=O)NCCNC(=O)c2ccc(Br)cn2)c(Cl)c1 1131085352 PTMYFMCNYBYPQV-UHFFFAOYSA-N 408.643 1.924 30 10 HDEE CCCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1snc(C)c1C#N 1133873617 FSTVDOJCMHQETQ-LBPRGKRZSA-N 423.520 1.232 30 10 HDEE Cc1cc(C(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)nc2c1c(=O)n(C)c(=O)n2C 1134924221 OUSGMSKYMREMCA-LLVKDONJSA-N 418.457 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCC(=O)NCc2ccc(C(=O)NO)cc2)C1 1139227276 MGGRAHOMJFKHGQ-MRXNPFEDSA-N 407.467 1.838 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C 1142655712 SYMWVVKATOXQCP-LPHOPBHVSA-N 409.552 1.546 30 10 HDEE CN(C)C(=O)c1c[nH]nc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1154576449 JRWOJLFEGQPSMI-DAIAYTDJSA-N 416.482 1.837 30 10 HDEE C=C[C@H](O)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1156813170 YHDFPBMQSXAFRS-OCCSQVGLSA-N 403.298 1.265 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(CN2CCCCC2)no1 1157682605 HTOYMKVTTPFMJV-OAHLLOKOSA-N 405.499 1.978 30 10 HDEE Cc1nc(C#N)cc(N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1164412835 OCUIAQYTSKTLLB-INIZCTEOSA-N 400.483 1.705 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1C#N 1178757384 PNRDGNUAQGMYCD-SGTLLEGYSA-N 402.501 1.563 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCC[C@H](CC#N)C3)CC2=O)C1 1256122008 BOWPCRHWIUGINZ-HUUCEWRRSA-N 405.499 1.542 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259106946 USSRAWZQUAUOMT-CHWSQXEVSA-N 415.899 1.860 30 10 HDEE CCOC(=O)c1c(NC(=O)Cc2ccc(C#N)nc2)sc2c1CCS(=O)(=O)C2 1264319951 IHYOUGDBZJPPNK-UHFFFAOYSA-N 419.484 1.844 30 10 HDEE C[C@H](C(=O)Nc1cccc(OCC#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1264602043 BQFBMQMRNVMLMM-CQSZACIVSA-N 402.451 1.995 30 10 HDEE N#CCOc1ccccc1C(=O)NCCNC(=O)c1ccc(Br)cn1 1278960491 ZVZUFHHRVROWTQ-UHFFFAOYSA-N 403.236 1.906 30 10 HDEE C#CCCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286342666 BKPXUJMOWQOKKD-UHFFFAOYSA-N 424.480 1.425 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)N(C)C 1286363806 ZWJVFCAXYYBSDM-UHFFFAOYSA-N 417.539 1.094 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(N)=O)cc1 1286462757 VCVHGYUOOLGQIX-UHFFFAOYSA-N 406.450 1.360 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[S@@](=O)C(C)(C)C 1286468601 CCFDOXXUBDSNAJ-MUUNZHRXSA-N 409.556 1.034 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2sc(C)nc2C)CC1 1286469268 CNMANGIBKQVRHR-UHFFFAOYSA-N 415.567 1.488 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](F)C2)CC1 1286471939 BRQPWUHRJQIXKS-LQWHRVPQSA-N 405.518 1.824 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286787252 DIYFLGBNUUCOBW-SJLPKXTDSA-N 413.526 1.277 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288305347 OAGRCYXSABNAHR-ACZWYYKOSA-N 423.489 1.301 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H](O)c2cnn(C)c2)c1 1291722566 QGCKSPYWOYZPJD-LSOGNMMWSA-N 419.507 1.685 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@](C)(O)CCOC 1292032670 FTUJQRWPUSSXNO-HXUWFJFHSA-N 406.531 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 1293032753 OMKOKELFIBJNDP-JCOPARMCSA-N 418.494 1.665 30 10 HDEE CN(C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1298087718 AGKCRAHLQNTFDI-UHFFFAOYSA-N 403.531 1.222 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1300358069 HOJUNYZQGCPPJW-KRWDZBQOSA-N 424.553 1.271 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(Cc2ccccc2)CC1 1300459113 WZUNRPRRZRMOCK-HXUWFJFHSA-N 421.549 1.116 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1snnc1C 1300648325 FOMSHGHLLXQCNU-UHFFFAOYSA-N 412.479 1.220 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC[C@@H](C)C2)CC1 1300695424 ABQTVNWJDATAQZ-HXUWFJFHSA-N 424.597 1.946 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOC)CCC2)CC1 1300697713 IJWRMKPACNOBSA-KRWDZBQOSA-N 400.527 1.191 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nnc3n2CCC3)CC1 1300725904 LJCUKCOYLITCER-UHFFFAOYSA-N 410.526 1.028 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301508389 JLWCDFLLCMHPSC-QGZVFWFLSA-N 414.554 1.808 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@H]1C[C@H]1C 1303844259 PTEDDJZBOJIUFW-ZETOZRRWSA-N 417.495 1.004 30 10 HDEE CO[C@H]1C[C@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)Cc3cccnc3N2C1 1307999535 MEEJPWWAUDTAQJ-OALUTQOASA-N 412.515 1.836 30 10 HDEE CO[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315724519 MGHRFTOHQDDKJO-VRTBNJGNSA-N 416.526 1.864 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCOC1 1316101648 LSIYSCMQZWHGNQ-HXUWFJFHSA-N 421.448 1.665 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CCN1S(C)(=O)=O 1316497993 XLBXPMYHNGYDQD-RRQGHBQHSA-N 418.498 1.817 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1ccccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 1318980926 GEVYKRAXSSDOJP-ZDUSSCGKSA-N 421.500 1.417 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccccc1[S@@](=O)C(F)(F)F 1349461788 DXAPQRNTWDNRAT-MUUNZHRXSA-N 413.381 1.998 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(N(C)C)CCSC1 1358886270 ARXQBQLGCXRNJV-JLTOFOAXSA-N 416.551 1.901 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1CCCO 1358952389 JIPKIWUIMVLSGZ-MRXNPFEDSA-N 416.551 1.186 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1358993392 LOBOMJNBVJGCNJ-VZCXRCSSSA-N 406.490 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1359024804 WHZYIGIULRONNC-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@](C)(O)C(C)C)CC1 1359038943 QONRADNUZBTIPT-HSZRJFAPSA-N 422.533 1.891 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1359053840 AFEZODOXYOLKMV-CALCHBBNSA-N 417.583 1.590 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1359287523 IFNUMIKZVQIZGK-GDBMZVCRSA-N 406.512 1.161 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCCCO1 1359298608 GJAYRYAJMOKQNZ-CQSZACIVSA-N 416.482 1.313 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359469840 LRGZERJHPADRTJ-PXAZEXFGSA-N 424.914 1.139 30 10 HDEE N#Cc1c(NC(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)nc2n1CCOC2 1440043354 FNWRTXBNJAVRJV-UHFFFAOYSA-N 420.212 1.826 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)NCCCC)c1 1440755382 LRHAEOXPVKOIHP-KRWDZBQOSA-N 408.545 1.915 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCCS(=O)(=O)C2CCOCC2)cc1OC 1449879488 FKLRDMWNEIKLEN-FNORWQNLSA-N 409.504 1.983 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)c1 1450439999 RRXLJMRUAAQLAJ-TZIWHRDSSA-N 416.474 1.538 30 10 HDEE N#Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)nc1 1450771294 GQSXWOKCNAMJAJ-UHFFFAOYSA-N 406.489 1.090 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)c1cc[nH]n1 1452488011 PIAHRQFSDOTHQL-QGZVFWFLSA-N 424.461 1.302 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCO1 1463866727 HUBYXPSIGTYFPM-HRCADAONSA-N 418.441 1.075 30 10 HDEE CO[C@]1(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1504057668 NDRXLNMQJBBUBN-MSOLQXFVSA-N 406.487 1.881 30 10 HDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1505041775 ZRVQFGNRAAMIFA-IBGZPJMESA-N 410.478 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1507648909 VOOPAGPXWUNEJG-UHFFFAOYSA-N 412.519 1.348 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N(C)C 1507701721 AEDQUFMMKVMIFF-QGZVFWFLSA-N 414.510 1.496 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507836603 RSHWLNIMZKTBSJ-BHIYHBOVSA-N 402.543 1.695 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507965884 RNQGTQACUYNIBP-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508131203 YVKWNPULWWNMNQ-OKZBNKHCSA-N 419.526 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(F)(F)C1 1508144631 VVNNEWYRLSMEGN-UHFFFAOYSA-N 414.482 1.586 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(Cn2cc(C)cn2)CC1 1508146202 VHBXZNYWOYQLEC-UHFFFAOYSA-N 406.556 1.863 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1517020310 FOYBAYZDXJYZKT-UHFFFAOYSA-N 406.494 1.821 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1519497498 MPADQAHJHQKTEE-RBUKOAKNSA-N 413.478 1.759 30 10 HDEE N#C[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCOC1 1521843036 JIZAKQVWAJOBGL-XLIONFOSSA-N 403.504 1.690 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)cc1 1533420579 XOGUOQGEOIBIFS-KRWDZBQOSA-N 401.463 1.393 30 10 HDEE Cc1oc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1536662471 DUYFWOLHUQTBJV-KRWDZBQOSA-N 403.460 1.924 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1537432209 AOUPJWPFXOXFGX-ZIAGYGMSSA-N 410.496 1.931 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NCC=C)c1 1539045588 FKXRBPCBFFMNLG-UHFFFAOYSA-N 406.490 1.589 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539231626 UPQMQDHVESDYIY-JKSUJKDBSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12 1539240160 YLFZFEXLIATFDD-HNNXBMFYSA-N 411.487 1.756 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539414475 VFWFQPANHWPHKN-LQWHRVPQSA-N 404.511 1.944 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@H]2CCCC[C@H]2C)CC1 1539428217 NXLOPGOLENNUFT-MOPGFXCFSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)CC1 1539429642 BVZHSBFDTXMHOW-MRXNPFEDSA-N 424.484 1.489 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1539520073 MEFYCVZGSZOUIG-MRXNPFEDSA-N 423.546 1.550 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539919152 WGXANYLMKGJKLW-VLIAUNLRSA-N 402.499 1.862 30 10 HDEE C[C@]1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1539935398 LYIZOPKWHKEHPL-QZTJIDSGSA-N 419.279 1.978 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1540000111 ZPMJZHWAVAFOKA-UHFFFAOYSA-N 407.478 1.485 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C)on1 1540198594 MXGHQVFATQKPEB-UHFFFAOYSA-N 400.439 1.989 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1541095700 JWPQEPTYQHYZPK-QGZVFWFLSA-N 418.885 1.765 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1C 1542482673 APCWRAWLNRISRU-AEFFLSMTSA-N 410.478 1.481 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCCNc1ncccc1C#N 1544055025 GADQSBZXXWSQJO-MRXNPFEDSA-N 415.494 1.897 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@H](C)O1 1545059946 LUXRAXUVJGRLTK-HOTGVXAUSA-N 408.466 1.634 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1545104486 RJUPUUOBQBNFRU-XLIONFOSSA-N 410.522 1.889 30 10 HDEE CCc1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1\N=CC=CC1=O 1546410944 UCOTVFUYNRVCQN-FZFLATATSA-N 424.509 1.614 30 10 HDEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1547094786 IDBYQMCMCOSOLI-IBGZPJMESA-N 419.507 1.125 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1(C)C 1555168948 SXNFTQMUMIBKEE-XMSQKQJNSA-N 410.522 1.745 30 10 HDEE COCCOCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555715768 HDIGZLIEDVFEOC-GOSISDBHSA-N 413.526 1.513 30 10 HDEE C=CCCSCCNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1557398283 RAKJQJRGDDVBJI-UHFFFAOYSA-N 400.570 1.853 30 10 HDEE C=C1CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Br)C1 1557457703 MSFMAHOZUUGLRQ-AWEZNQCLSA-N 415.309 1.381 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(OC)c1 1557801728 HCYHWFMBTNOSBL-GOSISDBHSA-N 422.547 1.524 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H](Cc3ccccc3)c3ncco3)C[C@H]1CS(=O)(=O)C2 1564983114 IVZQGGCHDCCSOM-FRQCXROJSA-N 400.460 1.538 30 10 HDEE COc1nn(C)cc1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1565460240 GAZXGKKOJOKEPC-UHFFFAOYSA-N 420.477 1.722 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(=O)OC(C)(C)C)C2CCCC2)CC1 1565590098 MQVHHCYSVQLBTF-IBGZPJMESA-N 405.539 1.418 30 10 HDEE Cc1ccc(C(=O)NC[Si](C)(C)c2ccccc2)cc1S(=O)(=O)NCC#N 1567428472 GTBYDDURBCKZID-UHFFFAOYSA-N 401.564 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)C#CC4CC4)CC[C@H]32)CC1 1570326297 DUCRBLSYWIXACD-QZTJIDSGSA-N 416.522 1.794 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(CO)c2)cc1 1583118360 AMDUQWDIYKVEBC-UHFFFAOYSA-N 424.276 1.730 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1586493748 FOUQAVDAUZUVPW-FQEVSTJZSA-N 403.548 1.396 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc2c1OC(F)(F)O2 1587658626 ATPIWNOVAVXWAZ-UHFFFAOYSA-N 423.397 1.406 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(Cl)c1 1587909631 PHDFCBRJPVIIFR-ZDUSSCGKSA-N 411.915 1.690 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H]1C 1587974884 DRDWDFSJWOCFDC-INIZCTEOSA-N 405.506 1.746 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588053512 FHUAMVWKYMXVFH-IRXDYDNUSA-N 419.507 1.491 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2C[C@@H](COC)OC)CC1 1588857512 OWEMICDCWAOLAV-IBGZPJMESA-N 422.533 1.767 30 10 HDEE C#CCSCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1588984123 GEHZUBZGDFHERA-CQSZACIVSA-N 403.483 1.860 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589558845 MHTHKQMOFRKXCS-GTCCEBARSA-N 410.522 1.947 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2csc(C(C)(C)C)n2)CC1 1595490327 PWULDNBJZCWMIO-UHFFFAOYSA-N 417.583 1.965 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CC)C2)C1 1595665483 WRWDOPLJOSTJDQ-ZWKOTPCHSA-N 402.543 1.637 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1595844923 JZSLKJZEYQQPMN-CHWSQXEVSA-N 405.615 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2ccccc2OCC#N)C1 1596925277 TYWBJJSZPUFMGS-UHFFFAOYSA-N 400.435 1.150 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1614978307 HBKQGTYDIDPBAA-NRFANRHFSA-N 407.478 1.202 30 10 HDEE C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1617421605 ZRTOTWZAVSYZHD-AWEZNQCLSA-N 400.472 1.510 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CCO1 1618688474 ALTNJIMGLBLVGG-IBGZPJMESA-N 417.473 1.406 30 10 HDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618732228 RTPNBZKPVQVRKM-INIZCTEOSA-N 401.444 1.394 30 10 HDEE N#CCSCCCN1CCN(c2ncc(I)cn2)CC1 1620477173 TVUXUGWQVKQHFG-UHFFFAOYSA-N 403.293 1.850 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)CN3CCO[C@](C)(C#N)C3)cc2F)C[C@@H](C)O1 1620623164 NGIHMLOKQGPONT-WHSLLNHNSA-N 404.486 1.670 30 10 HDEE COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1625258621 QLFYFOXCYYMMLY-KXBFYZLASA-N 405.476 1.294 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)c2ncco2)cc1 1627600126 GFRIOYFLQJSTFU-SFHVURJKSA-N 410.455 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCS(=O)(=O)CC1 1627904835 BFRZUOZAZXMTLO-KRWDZBQOSA-N 419.503 1.650 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1628510430 BWZUJKRHPMCSPC-MRXNPFEDSA-N 402.472 1.375 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCCN(O)C1=O 1628547415 CAPHFVTTZQLFGL-IAGOWNOFSA-N 414.462 1.889 30 10 HDEE C[C@@H](CC(=O)N1CCC(Cn2cnnc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1628630413 JDNXYFHBZDHOMU-AWEZNQCLSA-N 416.507 1.034 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2Cc3ccc(C#N)cc3C2)C1 1631129745 JDWXIXIJHIKGOF-QGZVFWFLSA-N 413.503 1.841 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCCO1 1634469025 CIPJSLLBVUKDHR-QUCCMNQESA-N 404.474 1.961 30 10 HDEE C=CC(C)(C)CNC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 1636511273 MHBJTIYZVKBJDT-OAHLLOKOSA-N 402.538 1.097 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCN(c3cnccc3C#N)CC2)CCOCC1 1636782676 QBBUAEJFFBOUEQ-UHFFFAOYSA-N 400.479 1.740 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1639829846 RWUCCUGVXWFYEF-OAHLLOKOSA-N 413.471 1.396 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(Cc2nc[nH]n2)CC1 1639861495 CWFJMYSMNYJLBL-HNNXBMFYSA-N 405.503 1.426 30 10 HDEE Cc1[nH]nc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1I 1639961290 BSWMUHQVFKLDSR-LBPRGKRZSA-N 410.215 2.000 30 10 HDEE C[C@@H]1NC(=O)N(CCN2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1642603137 QMPJIEVQQVIRMF-BBRMVZONSA-N 420.311 1.572 30 10 HDEE COC(=O)c1ccc2c(c1)CCN(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)C2 1644351903 DGBJDQNXZULQEL-UHFFFAOYSA-N 423.473 1.348 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[C@@](C)(C#N)C3)CC2)cc1 1647827706 FSDLQUJOMOSLHE-PXNSSMCTSA-N 404.536 1.452 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)c(=O)nc1O 1648028023 MTCQQJIDFVFEDD-JTQLQIEISA-N 408.340 1.036 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc3c(s2)COCC3)s1 1652397704 CBYRFDLUGLLRAW-UHFFFAOYSA-N 413.546 1.601 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 1653462645 JGIXPKIJUVYNIN-RDJZCZTQSA-N 413.430 1.909 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C[C@@H](O)CC3(C#N)CC3)CC2)cc1 1653782456 SGVYOUHMBZIRGD-INIZCTEOSA-N 411.549 1.522 30 10 HDEE CNC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1653950510 VNJNLXXOGPDJDF-HZPDHXFCSA-N 413.522 1.424 30 10 HDEE C=CCCn1cc(CN2C[C@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)nn1 1660083231 VCEIWHPOBYNRJG-MRXNPFEDSA-N 405.499 1.696 30 10 HDEE C#CCC1(NCc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)CCC1 1660284085 QIQDSBFCCBEADS-UHFFFAOYSA-N 403.460 1.522 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c2ccccc12 1661545799 VJAKNZYWAKAHOE-AWEZNQCLSA-N 423.512 1.990 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1662631627 KRMMKDIQKQGFOC-YJBOKZPZSA-N 414.549 1.731 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1674514046 DUGPCYNCWPKAPU-OAHLLOKOSA-N 421.548 1.698 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1677170817 ZSPVGFMSSCIBQZ-QZTJIDSGSA-N 416.526 1.010 30 10 HDEE CCOc1ccc2c(c1)[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)CCO2 1681865593 DCTQNCUSLOSAGN-URKNILKWSA-N 405.476 1.489 30 10 HDEE CCCc1ncc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1682518817 RKSQZCNQXOHHRT-UHFFFAOYSA-N 417.491 1.715 30 10 HDEE Cc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 1685107155 RHODHVGNLSLTSZ-SFHVURJKSA-N 408.458 1.991 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1689852807 KWRKWLXXIKZUPZ-KBXCAEBGSA-N 421.461 1.402 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1689875019 IFLILWKLLXNTFJ-WBVHZDCISA-N 424.571 1.044 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1689961332 TYSBDPBUGMOKTC-OAHLLOKOSA-N 407.478 1.384 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1689999746 HLDRMWBHHXVIMP-OXQOHEQNSA-N 421.567 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN1CCOC[C@H]1C 1690026513 CCGSARDHUCJMPG-HXUWFJFHSA-N 407.518 1.959 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1690095699 AAWXZPSDMFEXIL-GOSISDBHSA-N 406.490 1.817 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCOc2ccc(Cl)cn2)CC1 1690133717 QWQYPHRMXKFCRW-UHFFFAOYSA-N 404.902 1.697 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1690163342 BKTCYRFHTJCZOD-HNNXBMFYSA-N 415.519 1.640 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690299097 FCBZXUZMAYCXRV-KRWDZBQOSA-N 417.514 1.320 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)C1 1692851828 GTIKWKJFDCGPFL-OXQOHEQNSA-N 402.499 1.161 30 10 HDEE CC[C@@]1(C)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694444745 RFSRCPBVKHVINS-UITZCYDRSA-N 422.493 1.888 30 10 HDEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1697536553 FCOTXPJMFZJNHY-HOCLYGCPSA-N 403.508 1.833 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1705572093 QOPIOBYAZVIKOB-DLBZAZTESA-N 419.482 1.339 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1705628382 FEYHPAAKCIQIBT-QAPCUYQASA-N 411.462 1.155 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCSCC(F)(F)F)CC1 1705638819 XVJHNUNWVCETAF-UHFFFAOYSA-N 411.457 1.786 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCC(O)CC2)CC1 1705641924 ZDWJSLILLIXYBJ-UHFFFAOYSA-N 414.598 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705647652 JYYWXHPUOVCEMF-UHFFFAOYSA-N 424.480 1.899 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(F)c2)CC1 1705648169 PKQUWHSALDUHQV-GOSISDBHSA-N 411.481 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(=O)NC)C1 1705696967 RIXGSXBOVKKHKB-SZMVWBNQSA-N 415.494 1.779 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1705873201 ALPWTFADOVNOGO-UHFFFAOYSA-N 421.505 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705899041 GNHUSXBFZCERGS-RTBURBONSA-N 406.490 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(c2ccnn2C)CC1 1705899982 MGAHULMFLHUDHV-UHFFFAOYSA-N 406.494 1.760 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)cc1 1705910071 QJAPCURJHFZVHD-SFHVURJKSA-N 410.478 1.672 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CCCO)C1 1705918376 IDMSXEYQZPDLBJ-WOJBJXKFSA-N 412.538 1.968 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccco2)cs1 1707761494 RLTYPHVDJLOOEZ-KXBFYZLASA-N 414.491 1.863 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)CCOC1 1711622105 AJPGKAFSJLISPH-JOCHJYFZSA-N 424.505 1.714 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnn(C)n1 1711676573 DKSBEBVNKUQSQY-QGZVFWFLSA-N 417.836 1.621 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722320818 LIOZOTOYFYRVGN-HXUWFJFHSA-N 414.535 1.775 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1722345703 QZAXEAVDAOTKOY-ZDUSSCGKSA-N 417.491 1.761 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCO[C@@H](C)C1 1722453417 SGLQQYDCFIRLIZ-HNNXBMFYSA-N 400.508 1.907 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1722726778 IFUKPJRGSGZPSL-UHFFFAOYSA-N 416.551 1.780 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722861005 ABVHKYMDGKTHRZ-HNNXBMFYSA-N 421.505 1.444 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1730818611 GTCXIARXLVGPAT-OAGGEKHMSA-N 413.544 1.423 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1740550761 JQNVGJUEQSOYQA-HZUJVAHNSA-N 414.531 1.472 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1740617969 ZOPURKPUHYHCER-SJORKVTESA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1740641244 HOWNJPJJVCZQIP-UHFFFAOYSA-N 414.506 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1740641927 PPEAITSGMLAFOK-GOSISDBHSA-N 421.501 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1OC 1740678337 JVUJAOYVTHFIJB-UHFFFAOYSA-N 403.458 1.698 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](COC)C1 1740763523 MBFYJTZHRWRQEO-ZWOKBUDYSA-N 403.527 1.854 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCN(C)C2)CC1 1740834328 RTDNNFWHYDOCSJ-NRFANRHFSA-N 404.559 1.666 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)Cc1cnn(C)c1C 1740961884 LHWPWQLHSDNGFK-UHFFFAOYSA-N 411.485 1.989 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC2CCS(=O)(=O)CC2)C1 1740977414 UZHBCFUWGPIEMP-KRWDZBQOSA-N 417.535 1.946 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1748784138 CKXFAMZMQYGKDB-UHFFFAOYSA-N 412.523 1.284 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1748905859 KLLYTRHOWDAMSX-UHFFFAOYSA-N 404.478 1.894 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN(C)CCOC)CC1 1748983829 GEUPMVSNAIOATI-UHFFFAOYSA-N 400.502 1.418 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC=CCO2)CC1 1749009496 JSMMBRPLWKAQRE-MOPGFXCFSA-N 413.522 1.483 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOCC(C)C 1749054513 ULGJGQATAOSZLP-VQIMIIECSA-N 411.572 1.943 30 10 HDEE C=CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1749518928 BBLOWDZYMCESTA-QGZVFWFLSA-N 424.505 1.200 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1760118222 ZTAWUGHKINWZSO-YESZJQIVSA-N 410.540 1.081 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760136974 MRIHBIPPEXJUDC-IAGOWNOFSA-N 400.527 1.775 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1760189518 VCIYSIPUXLXYRR-IBGZPJMESA-N 413.547 1.919 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@]1(O)CCOC1 1760199279 WVKQLVTURGBLOL-HXUWFJFHSA-N 400.866 1.831 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1cnnn1C 1760242819 PLLHRAZNNFMSLV-HNNXBMFYSA-N 413.457 1.820 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCOCC1 1760246230 UGXAAHRKKBDRRV-UHFFFAOYSA-N 409.490 1.834 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2nnc3n2CCC3)n1 1760252898 TUTCGXCMEHCNTG-UHFFFAOYSA-N 423.525 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760253993 LINRUBOJLAGZFJ-NHCUHLMSSA-N 415.630 1.820 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CC(=O)NCC=C)CC1 1760257325 UEIBLMYBFIFAST-HXUWFJFHSA-N 406.534 1.877 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(C)COC2)CC1 1760263268 UVPJLVSGEVKDEJ-UHFFFAOYSA-N 409.534 1.864 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC=CCC2)CC1 1760269049 WKXLALUPRYINPK-WMZOPIPTSA-N 410.522 1.551 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760357997 LYWXNKIILGRNSN-QUCCMNQESA-N 418.586 1.812 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1760430202 BQCVKGFCSLVDAH-OXQOHEQNSA-N 404.515 1.500 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1cccc(C)c1 1760522363 RRFCCAWSYNZDTN-OAHLLOKOSA-N 403.508 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC1 1760783180 PLFKGNOKXRTGOH-HZPDHXFCSA-N 418.498 1.725 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(F)(F)F 1768292450 BKPBQRAVVGFFNI-UHFFFAOYSA-N 416.429 1.755 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC2CC2)C1 1771529768 UOCVCXNKJXFWPN-CRAIPNDOSA-N 411.503 1.439 30 10 HDEE O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)ON1C(=O)c2ccccc2C1=O 1772789034 MQXBLRVQUGKRDP-UHFFFAOYSA-N 420.468 1.830 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)CCN2C(=O)CCCC2=O)C[C@H]1c1ccccc1Cl 1849904466 XAAHFVUXKDJSAJ-UKRRQHHQSA-N 409.895 1.748 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)C(=O)C2 1852646407 JSCBDVCDTIYGCK-MRXNPFEDSA-N 413.430 1.966 30 10 HDEE CC1(C)NC(=O)C[C@H]1C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852770575 NKPUALDHLXESBU-MSOLQXFVSA-N 401.463 1.096 30 10 HDEE Cc1ccc(C)c(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1852791618 APJCJSDKKLVZCF-KRWDZBQOSA-N 404.474 1.667 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(Cn4cccn4)CC3)C2=O)CC1=O 1854057564 SHKWLQOWEXHCMQ-OALUTQOASA-N 413.522 1.147 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1854314477 YRJXRUZDCYQCJR-PBHICJAKSA-N 409.483 1.224 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854318871 KCUQQAYEPKFPPH-RBUKOAKNSA-N 404.474 1.690 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnnn1C 1854589301 HTAFWUGIZRHSMX-UHFFFAOYSA-N 415.475 1.297 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@H]1C 1854735349 GXCXXVXHMVGOSK-KGLIPLIRSA-N 402.520 1.404 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854850016 RBACVYICDZHNST-XMSQKQJNSA-N 414.481 1.511 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCC[C@H](Oc4ncccn4)C3)CC2=O)cc1 1855717429 XNRILIGJYSEEOL-MJGOQNOKSA-N 405.458 1.880 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC[C@H](Oc4ncccn4)C3)CC2=O)c1 1855729159 DTWMPEBBPZPMRG-HKUYNNGSSA-N 405.458 1.880 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1855899845 AWLPFHXBVNQNBG-IBGZPJMESA-N 417.531 1.926 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)C(C)(C)C2=O)cc1 1855929439 YAIGGULUPFZQCO-UHFFFAOYSA-N 420.535 1.694 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1856049212 IAIXVKJIRWJKRX-OAHLLOKOSA-N 422.407 1.784 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(Cc3ccc(OC)cc3)C3CC3)C2=O)CC1=O 1856073060 PJANHNVDDJHYOL-PXNSSMCTSA-N 411.502 1.822 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C(=O)C1 1856421848 NSGFAPOCCJAHSM-CABCVRRESA-N 412.446 1.131 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)C1=O 1856432546 RQUGHWPGIXOXBF-SFHVURJKSA-N 408.437 1.446 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CCOCC1 1856918348 CUWIGXUOXCNLPF-UHFFFAOYSA-N 405.476 1.453 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(OC)nc2)C1)[C@@H]1CCN(C)C1=O 1857055558 GBZOYOXQAQKICQ-NVXWUHKLSA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@@H]1CCN(C)C1=O 1857068439 NWZADPDVOYFHPB-DLBZAZTESA-N 416.522 1.971 30 10 HDEE Cc1cc(C)n(CCC(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)c(=O)n1 1857198527 LBLJHSGRPWWEII-ZWKOTPCHSA-N 411.506 1.251 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@@H]1CCN(C)C1=O 1857225326 BPEQFRFWMXEKTG-DOTOQJQBSA-N 404.536 1.478 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnc3ccccc3c2)C1)[C@@H]1CCN(C)C1=O 1857273800 AMBLFPNZMCPMFJ-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)N2CCN(c3ccccc3)CC2)C1 1858422334 REGMVFSMPXRSEM-LJQANCHMSA-N 424.526 1.918 30 10 HDEE N#Cc1cccc(C(=O)NCCc2ccc(S(=O)(=O)NC(=O)NC3CC3)cc2)c1 1858977207 JLCGPHSDIDKXID-UHFFFAOYSA-N 412.471 1.681 30 10 HDEE Cc1ccc(C)c(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870143957 IWWKTPIAMFONKK-UHFFFAOYSA-N 400.398 1.991 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCOC 1870522209 YIQQALCMIBXGTM-UHFFFAOYSA-N 407.511 1.200 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc12 1891728905 QEHKUSNYNYETES-CYBMUJFWSA-N 413.463 1.171 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)COc2cc(=O)oc3ccccc23)C1 1892100870 LBQATYVTLYFLKU-AWEZNQCLSA-N 406.398 1.903 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1981513057 CTYBXSRCDQMPIN-RYUDHWBXSA-N 413.334 1.432 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(CC(=O)O)Cc1ccccc1 1984850677 NDCKCRZBNRKURD-SFHVURJKSA-N 417.506 1.996 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1985214177 GWAMQKJJVHUIDL-GFCCVEGCSA-N 413.334 1.840 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2174780707 XKUOHCYTJOBTEQ-RYUDHWBXSA-N 414.450 1.902 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCC23CC(C#N)(CO2)C3)C1 2181148858 XIJJKCMBGLDMPU-LDIWMBKBSA-N 413.474 1.992 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2217456232 NXMOODWJZJDEAM-GDBMZVCRSA-N 419.331 1.442 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@](C)(O)C(=O)C1=CCS(=O)(=O)CC1 2232544115 YMTNOIGWWLQXPR-KDOFPFPSSA-N 403.497 1.077 30 10 HDEE CCS(=O)(=O)CNC(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2233878342 FQBMSPPCUUIUJJ-SNVBAGLBSA-N 403.335 1.195 30 10 HDEE Cc1cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2243400799 HZQCMMFUDABGNI-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243437091 RPKBRXZSKRXDBH-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247836744 HNKFQMOXTIJJEN-CQSZACIVSA-N 418.303 1.515 30 10 HDEE CCn1cc(C(=O)N(CC(=O)O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2248577675 NRVWKGLYGQDZFS-UHFFFAOYSA-N 413.283 1.929 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)cc2)OC1(C)C 2255871138 RFXJKHNGLBJCQD-UHFFFAOYSA-N 422.334 1.963 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)C1CC1)NC(=O)OCc1ccccc1 2258152998 MZAVAMZIMXSNLE-INIZCTEOSA-N 409.464 1.162 30 10 HDEE C=C1CC(CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258165391 GKEOBZWXYOWYIX-QGZVFWFLSA-N 410.492 1.682 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267716998 WCLXGJSBKGPYDY-XMMPIXPASA-N 408.376 1.053 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](N)C(F)(F)F)c2)OC1(C)C 2267717059 XAXLYLLYZMEKBW-SECBINFHSA-N 400.253 1.215 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H](C)CS(C)(=O)=O)c1C 2281993644 DXTGPVNATZACCK-JTQLQIEISA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]4NCC[C@H]43)cc2Cl)OC1(C)C 2282314074 UJEWVDMFBFAXSG-ADEWGFFLSA-N 418.777 1.729 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@]3(=O)CC[C@@H](CN)C3)c2)OC1(C)C 2282343708 HETJMWVKCXLCTJ-JPQMIFPKSA-N 420.387 1.183 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CN 2282347738 BSPJBABEZBEONB-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@@H]2CN)OC1(C)C 2282408497 IOUNJLRLODXZJY-GFCCVEGCSA-N 400.737 1.751 30 10 HDEE CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420332 XOUDDFALOFLUBU-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)Nc2csnn2)OC1(C)C 2282421443 NXWSUKBAPFISHX-UHFFFAOYSA-N 403.241 1.916 30 10 HDEE CC(C)C[C@@H](CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506179 OLXVHJRWXOYGJG-LBPRGKRZSA-N 403.379 1.235 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@@H]2CN)OC1(C)C 2282507028 AVZHSOGPBFUAAK-CQSZACIVSA-N 400.375 1.690 30 10 HDEE CCN1CC[C@H]1CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282844229 ZZLMSYLBORORFA-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCN 2282855173 ANIPSAHSSQNWFN-STQMWFEESA-N 400.375 1.653 30 10 HDEE CSCC1(C)CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282858321 VDSZXBMKUOPCAH-UHFFFAOYSA-N 401.363 1.093 30 10 HDEE COC[C@@](C)(CO)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882076 GZTURNBGMQUDGO-MRXNPFEDSA-N 405.347 1.065 30 10 HDEE CCOC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284374198 SYBVUSLSKDDQQP-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE CCc1nc(C(=O)N[C@@H](CSC)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284377082 UEMBMCMIXUULLT-VIFPVBQESA-N 400.331 1.551 30 10 HDEE Cc1cc(S(=O)(=O)NCCCC2(O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2285697852 UMURLVUIGMHVQP-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(F)(C#N)C2)c1B1OC(C)(C)C(C)(C)O1 2365074672 RTNBQELDIZJJMD-UHFFFAOYSA-N 400.306 1.900 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365245581 IQMZYDFRJANQKU-FZKQIMNGSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2367100025 YNJORGRZZWYIFU-SQWLQELKSA-N 401.525 1.827 30 10 HDEE C=CCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1OC 20207843 RWQKOKLHTKQHSG-PKNOWDFQSA-N 420.472 1.881 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](Cc2nc(C)no2)c2ccccc2)CC1 429398675 VOOWLZQTSZKFTH-GOSISDBHSA-N 412.494 1.291 30 10 HDEE CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433861145 YIULGRXIFCYDBI-CYBMUJFWSA-N 402.314 1.398 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 434389239 HFWMPGGLBCGVAV-UKRRQHHQSA-N 419.425 1.572 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC(C)(C)[C@@H]2C#N)CC1 434433481 SFWFFHGNHDKUJG-INIZCTEOSA-N 407.540 1.968 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 438951714 UCODNROVSREECW-TUVASFSCSA-N 412.851 1.325 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cn(C)nc1C(F)(F)F 439684586 BPKGZYKCZMCNAU-JTQLQIEISA-N 415.397 1.294 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440390700 ZNTJKLXNTMJQCC-BBRMVZONSA-N 411.483 1.672 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cccc(C(=O)N2CCCC[C@H]2C(=O)OC)c1 448375884 PNCSXYNUHFBXNB-KRWDZBQOSA-N 401.463 1.875 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 469883231 UXDHPZKKPUEFKF-UXLLHSPISA-N 405.476 1.211 30 10 HDEE CO[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[C@@H]1C 469884946 QVPWOYLADLQTQG-HNAYVOBHSA-N 405.520 1.842 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2Cc3cnnn3Cc3ccccc32)cc1 470764817 KLFWSZKKYWPUFK-UHFFFAOYSA-N 422.470 1.679 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(CO)nnc3C2)n(Cc2ccco2)c1C 471048272 SHZNHNXYUOAKSG-UHFFFAOYSA-N 409.450 1.156 30 10 HDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 477593119 SBXBQRZJEWGRFR-QGZVFWFLSA-N 405.520 1.930 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 492394440 HLMGOOVNWRGNHK-UHFFFAOYSA-N 405.296 1.990 30 10 HDEE C=C(C)[C@H](CC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)OCC 506867479 ZUHQAXSIOXPVAS-OALUTQOASA-N 417.554 1.739 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 508909500 ZSEUYXAWKWFLII-UHFFFAOYSA-N 408.441 1.972 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 511122807 ISCXUYJYLVYJAP-QGZVFWFLSA-N 416.507 1.038 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@@H]1CCCO1 531842478 JGGPYPAVFOXDAF-LBPRGKRZSA-N 421.881 1.130 30 10 HDEE Cc1c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cnn1-c1ccccn1 544850863 PDXXKOBOBYXYFC-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCCC4=O)cc3)CC2)n1 545471798 QVFUOUZPVPQRRT-UHFFFAOYSA-N 411.487 1.591 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CS(=O)(=O)CCCc3ccccc3)CC2)n1 546169819 NHQMRJIURPVCBK-UHFFFAOYSA-N 412.515 1.649 30 10 HDEE C[C@H](C#N)CN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CC1 564513579 LRPZXBDOPOZNJK-LLVKDONJSA-N 400.298 1.878 30 10 HDEE Cc1cc(C#N)nc(NC[C@@H](O)COc2ccc(I)cc2)n1 572746590 FKDOIWQEZRHAQZ-CYBMUJFWSA-N 410.215 2.113 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590342959 XDKNOUACBRWVON-MSOLQXFVSA-N 404.474 1.507 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)CC1 604023190 SUYWNOFKDXASGF-UHFFFAOYSA-N 411.487 1.739 30 10 HDEE CN1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCC1=O 610026918 PAFOPFBPIOCKSO-AWEZNQCLSA-N 413.457 1.318 30 10 HDEE COc1cc(I)c(Cl)cc1C(=O)N1CCNC[C@@H]1C#N 700984402 UMYMNSHDZIRAHJ-QMMMGPOBSA-N 405.623 1.891 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cccc(OC)n2)C1=O 726114958 NNELOZFQIIJXRR-AEKNLGIRSA-N 413.503 1.664 30 10 HDEE COc1cccc([C@@H]2C[C@@H]2C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 730342060 CRVVSSMJEODVSC-ROUUACIJSA-N 424.457 1.859 30 10 HDEE C[C@@H](CC(=O)NS(=O)(=O)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 744079023 FMAOJHHBMWETNY-LBPRGKRZSA-N 413.521 1.282 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCc1ccnc(C#N)c1 747022236 DIWRVUCGWRNCHL-ZDUSSCGKSA-N 416.459 1.065 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 749532365 ZHJQLRHZRHGDJQ-PBFVBANWSA-N 404.470 1.450 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c(C(=O)OC)s1 751515243 KCDRLTLRUPIZIC-UHFFFAOYSA-N 424.456 1.680 30 10 HDEE COC(=O)c1cccc(COC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C#N 756166859 XPNBFHXTHGNVMN-UHFFFAOYSA-N 413.430 1.985 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCN1C1CC1 773590343 SRUYARGDXPCPKI-MRXNPFEDSA-N 421.498 1.247 30 10 HDEE Cc1cc([C@@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc(C)n1 777292219 GINPIXBFSAAOEG-ZBFHGGJFSA-N 401.467 1.785 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)[C@@H]2C)CC1 777695258 DPLJCJNXHLATDR-NVXWUHKLSA-N 406.527 1.945 30 10 HDEE Cn1ccnc1[C@](O)(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 780398639 OVQBTLQGHDNXHE-IAGOWNOFSA-N 418.416 1.938 30 10 HDEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCCSC)c[nH]1 789992940 XZQSAEDCTDMRJN-UHFFFAOYSA-N 405.509 1.606 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)n1 790106020 MNZWDBBVADHWAA-QFIPXVFZSA-N 410.518 1.782 30 10 HDEE COc1ccc(OC)c(C2=NO[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)C2)c1 792033010 GLBFBEVHHJJYGZ-HXUWFJFHSA-N 421.457 1.812 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)CC1 797386374 NORMZJXMNOROTG-OAHLLOKOSA-N 417.462 1.734 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 802553995 KUUALNJBLRISNQ-HNNXBMFYSA-N 406.556 1.946 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 809897162 XRPQANASWWYRNH-CABCVRRESA-N 420.514 1.487 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(F)cc1C 814980958 QOVIOYHVRZUMPK-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE C[C@H](c1ccc(F)cc1)N1CC[C@@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 815210685 HQPFEYXSNRTXKK-LEPCQJGQSA-N 415.421 1.947 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 918754804 HEGAGBCBFHBGSI-ZTBDEIDFSA-N 414.527 1.587 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)cc1 1125087446 MWNPSVXXHDEPDQ-QGZVFWFLSA-N 423.535 1.705 30 10 HDEE Cn1ncc(I)c1C(=O)Nc1ncc2c(c1C#N)COCC2 1129872812 AKSKJSHWHHYCCG-UHFFFAOYSA-N 409.187 1.616 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCSCC1 1134649845 OJTQUFRMCYIXOW-SUMWQHHRSA-N 414.549 1.238 30 10 HDEE N#Cc1cn(CC(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)nc1O 1141537710 DFQQJPJZJYDLMT-UHFFFAOYSA-N 410.217 1.272 30 10 HDEE CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C(C)(C)C 1144026122 XNRYCNKVIXEBHS-MSOLQXFVSA-N 411.506 1.952 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)CC3(C#N)CCCCC3)CC2)CC1 1144084532 HXFPTPNBJJBRPS-UHFFFAOYSA-N 403.571 1.547 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OCC)c1ccccc1)c1cc[nH]n1 1147854153 CDWVBSJEEUDIDF-MRXNPFEDSA-N 402.407 1.114 30 10 HDEE CON=CC(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1148387292 DLIFOJMORCBBKU-UHFFFAOYSA-N 400.439 1.569 30 10 HDEE C[C@@]1(C(F)F)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1167507664 GNGIVYBSPKQMSL-KRWDZBQOSA-N 401.435 1.388 30 10 HDEE CCCCOc1cccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1176711609 XZHGCHUJSMEABG-FXAWDEMLSA-N 405.520 1.352 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H](CNS(C)(=O)=O)C1 1197574735 WAGADFHKPPHWID-HZPDHXFCSA-N 408.524 1.201 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1210874436 KHQWBJVJNOTBBK-MSOLQXFVSA-N 407.511 1.703 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC2(C(=O)OC(C)(C)C)CCOCC2)CC1 1252219505 SFUGLOHRMQGADB-UHFFFAOYSA-N 409.483 1.613 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2nccnc2I)ccc1F 1259412919 WCCVARPKJBAILQ-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCCC3=O)cc1 1264645947 YCVYSGBHRFMKPQ-PYCFMQQDSA-N 415.475 1.925 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C)CC1 1265140504 SNMFDXZTSAAPLM-HKUYNNGSSA-N 401.507 1.904 30 10 HDEE COC(=O)N1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1270332613 BMYXIQRSOVUYEJ-CYBMUJFWSA-N 404.854 1.912 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)OC)CC[C@H]3C(=O)OC)cc2C1=O 1279587487 HKVYEWNCMXNULD-BBRMVZONSA-N 414.414 1.035 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1286376821 OHOZPTHRRACUPC-KRWDZBQOSA-N 400.504 1.427 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCCN1CCC)[C@H]1CCS(=O)(=O)C1 1286393292 JQZKEDDZPKTJTP-MSOLQXFVSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nncn1CC 1286421942 SQDCVHRIWQKVQJ-UHFFFAOYSA-N 404.434 1.976 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCN2CC)CC1 1286471351 LJOOGOFHBHNDLO-IBGZPJMESA-N 413.570 1.144 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286635448 SMBSAONAQKTZCU-GOSISDBHSA-N 412.922 1.533 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1286729078 LOWZYEYHOCJTQS-UHFFFAOYSA-N 404.482 1.786 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCCC2)CC1 1286788334 UXAXUXNUXMRYCT-GOSISDBHSA-N 416.570 1.929 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@H]2CC2(F)F)CC1 1286790974 RAHGBMNHPRERLQ-OAHLLOKOSA-N 422.480 1.574 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCOC1 1286791517 UWIDMCJBERMNJO-QAPCUYQASA-N 413.478 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC1 1286815412 UMTHAHUNRHZQFZ-UHFFFAOYSA-N 424.548 1.550 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccnc1S[C@@H](C)C(=O)N1CCCC1 1287988801 LWWFFNDYHVLYCW-AWEZNQCLSA-N 404.492 1.713 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)C1 1288977167 KHULQNLCQHOIND-TXPKVOOTSA-N 423.539 1.116 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)n1 1290646104 FQPHGFHTAORXOI-HUUCEWRRSA-N 407.425 1.293 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1291190092 OLYLYFHHZJTXKT-JCGIZDLHSA-N 410.478 1.024 30 10 HDEE C#CCN(C(=O)c1cc(-c2c(C)nn(CC=C)c2C)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1291927697 BOIAMPFLYCONFQ-OAHLLOKOSA-N 401.492 1.339 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1292747225 YRKVEJAGWVQMGM-YVEFUNNKSA-N 424.527 1.689 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCOC(=O)N2)CC1 1293136128 CPTDGOUJJBKREL-LSDHHAIUSA-N 407.268 1.656 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN([C@H]2CCSC2)CC1 1295046160 BZEODFYCJVGHGE-RDJZCZTQSA-N 400.552 1.603 30 10 HDEE COC(=O)C[C@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccn1 1296804996 KYEPKFOBZXQWOL-IBGZPJMESA-N 419.434 1.726 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)cn1 1297368895 ACDPIJZSBTXZIC-UHFFFAOYSA-N 401.898 1.844 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)c1 1297826799 MRTMFKMAMOCYMY-GOSISDBHSA-N 411.487 1.831 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298486720 FDANHMIFQIURMO-IDPVDFPFSA-N 418.473 1.493 30 10 HDEE CO[C@]1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1299813852 BTJXNYMHIVRQOL-QAPCUYQASA-N 404.496 1.168 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1300340154 VHFDWTMXAUEXRO-IAGOWNOFSA-N 408.572 1.366 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300492556 NNAQEQWACFDJLX-CVEARBPZSA-N 420.564 1.201 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1300529611 MZVOEQGTVNOGQV-UHFFFAOYSA-N 406.471 1.260 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1300587597 REDZRUYEVDMBDD-XMMPIXPASA-N 416.529 1.880 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1300960831 NXTUMGKWXHROQD-UHFFFAOYSA-N 415.542 1.705 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1301239774 TYXUCVLOTNICDR-OAHLLOKOSA-N 413.482 1.220 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 1301291839 PKTGFXXDSHWBAL-LLVKDONJSA-N 403.298 1.510 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccc(F)cc1 1301422730 VHUBOXKIPKIUQN-DYESRHJHSA-N 417.485 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1301496823 HTBIFKMJOZORES-AWEZNQCLSA-N 409.494 1.547 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301496836 IBYPPNREQLQYPY-KRWDZBQOSA-N 420.521 1.753 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1301498240 LWPRPOWIGWWXEG-CABCVRRESA-N 404.515 1.315 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C(F)(F)F 1303847592 JOUXSYPGICQWSZ-LPWJVIDDSA-N 409.430 1.057 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CCN(C)C)c1cccnc1 1303873480 CYYQVRYTOGJSOY-HNAYVOBHSA-N 415.519 1.429 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1305205476 JCXSNBRMKRKKJR-YJBOKZPZSA-N 424.505 1.869 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cccc(OC(F)F)c2)c1=O 1307379131 SDLYOFPFDFETKW-UHFFFAOYSA-N 407.373 1.873 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@@H]1CC(=O)N(C2CC2)C1 1309403243 RJWUEHOCNMKZCG-MOPGFXCFSA-N 420.531 1.742 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CC(=O)NC)Cc2ccccc2)c1 1309786052 CBJDHZUPRKMNKW-UHFFFAOYSA-N 401.488 1.539 30 10 HDEE COC(=O)[C@H](Cc1ccccc1Br)NS(=O)(=O)c1ccc(C#N)nc1 1309922359 DZRRUWFAPNUVTJ-HNNXBMFYSA-N 424.276 1.778 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CC1 1315749079 TYPIJPMAEJYXLW-UHFFFAOYSA-N 424.436 1.892 30 10 HDEE C=CCO[C@H]1CCN(Cn2c(=O)n(CC)c3ccc(S(=O)(=O)N(C)C)cc32)C1 1325205697 DUTNNYJSLRTKPN-HNNXBMFYSA-N 408.524 1.308 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 1337648468 DUFMKMKAABEPRG-CQSZACIVSA-N 401.916 1.806 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1358870797 UMAVWWAXHXYKPS-CQSZACIVSA-N 416.913 1.846 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccc(C)cc1 1358956043 YWKVUCLFZNCXOF-OALUTQOASA-N 411.506 1.810 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCS(=O)(=O)c1ccccc1 1358976289 YEKDAHCVOLAKPL-UHFFFAOYSA-N 420.498 1.672 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@](C)(O)c2ccccc2)n1 1359027657 QMIGNTPZZVGWST-QFIPXVFZSA-N 408.506 1.977 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCC[C@@H](C)C2)CC1 1359047563 LNGFHFSWXMYKNQ-GOSISDBHSA-N 416.570 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)C(C)(C)C 1359073053 AZVRSCSABSQFQT-OAQYLSRUSA-N 400.527 1.555 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359096631 FCEIGKNDIHJPOZ-BZSNNMDCSA-N 417.535 1.945 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@@H]1CC)c1ccccc1 1359139673 AMZRNTDXIRBDLS-SFHVURJKSA-N 408.506 1.829 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359215617 GDHORZALTQXGQK-IRXDYDNUSA-N 409.556 1.451 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1359239605 SFQWFPLRHIVMRA-CYBMUJFWSA-N 408.304 1.901 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1359298325 VWVXMKDYBOXWAX-SFHVURJKSA-N 418.461 1.162 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(OCC)cc2C1 1359299639 KJGMGSPQRVPHOD-SFHVURJKSA-N 424.505 1.493 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(C(C)C)CC1 1359305170 VEQPBVHQXTWHDV-UHFFFAOYSA-N 416.501 1.829 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CC2)N(C)C)C1 1359310742 FMFIKSDBCQHRPC-ROUUACIJSA-N 402.543 1.636 30 10 HDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1359610358 BNSVIBBOSXREHL-KRWDZBQOSA-N 422.555 1.707 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)C(=O)OCC 1438401648 KGJHZDIXZMVZAT-CQSZACIVSA-N 400.884 1.813 30 10 HDEE C#CCN(C)CCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 1450486073 JSQBRVXBLNTSEP-QHCPKHFHSA-N 406.486 1.678 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1452945615 CKTLSMZAVFENAN-WOJBJXKFSA-N 413.499 1.903 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1454677725 XKENVCSGAQYMAM-LLGFUMIMSA-N 405.495 1.938 30 10 HDEE C[C@H]1CN(c2ccncc2)CCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1455927180 BDEYRMUUGVQAFX-HNNXBMFYSA-N 413.503 1.248 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1)c1ccccc1 1456897994 UEANNULYFRRAMI-AREMUKBSSA-N 410.521 1.637 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CCn2ccnn2)ccc1F 1457137191 JZKWLLDTVMPLMW-INIZCTEOSA-N 421.498 1.967 30 10 HDEE N#Cc1cc(=O)n(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)cn1 1459141282 HMQIGGMDYYUBMY-OAHLLOKOSA-N 406.446 1.485 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)CN2CCN(C(=O)CC#N)CC2)c(OC)c1 1460128903 SJRPOZCMDRYALB-SFHVURJKSA-N 400.479 1.425 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1460231163 UGOSODQBNSUJHZ-VWKPWSFCSA-N 401.463 1.620 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)CC3(C#N)CC3)CC2)CC1 1461693589 MIGDNBHEUUWIGL-UHFFFAOYSA-N 405.499 1.497 30 10 HDEE CNC(=O)c1ccsc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1462906874 SLEXGYMJQXQXHF-CQSZACIVSA-N 411.443 1.823 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1464887463 CLTLPAITPOHNNC-UHFFFAOYSA-N 402.543 1.806 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCC[C@H]12 1464922378 GDNLYYBQGANGHA-LYCYKFEXSA-N 418.494 1.809 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1464995487 XFWQZOFSMIFFDH-INIZCTEOSA-N 407.492 1.736 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 1469595872 AYPBXIFUQVLKNU-DOMZBBRYSA-N 422.532 1.655 30 10 HDEE COCc1nnc2n1CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1469863020 XLFFXGRRDNXMIG-UHFFFAOYSA-N 403.483 1.417 30 10 HDEE Cc1c[nH]c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1=O 1472123257 XKFVOESYNQNZOA-UHFFFAOYSA-N 402.476 1.127 30 10 HDEE COCCc1ccc(OC[C@@H](O)CNC(=O)Nc2cnc(OC)c(C#N)c2)cc1 1477077865 GDSVEYOTMHWTNI-KRWDZBQOSA-N 400.435 1.712 30 10 HDEE C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1478810732 KFAPIPRFZAFLHE-LBPRGKRZSA-N 424.436 1.649 30 10 HDEE COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)cc1 1478957090 LHVVTWCRLSKGNY-SJORKVTESA-N 421.505 1.856 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1502357981 HAWBBLZASGPHNG-FQEVSTJZSA-N 415.586 1.940 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](F)COC 1502917161 MXILATRJFFXKCT-HOTGVXAUSA-N 419.457 1.969 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1505315841 SZEMGNOXTHRVFB-QAPCUYQASA-N 411.503 1.439 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1507641397 DOGKKILXCFAMCK-OAQYLSRUSA-N 413.478 1.574 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(N)=O)cc2)CC1 1507724347 CKWGIOXLTJOXAG-UHFFFAOYSA-N 401.474 1.243 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)C(C)C)CC1 1507739124 MZIWEIGNBXMZAV-UTKZUKDTSA-N 403.527 1.155 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1cccc(F)c1)C1CC1 1508084948 DIXHVTFJUMLDHQ-KRWDZBQOSA-N 412.469 1.840 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1508085339 UGZWWEKVKDKSHB-IBGZPJMESA-N 420.521 1.913 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1508122013 BUJWBYFYIQZVKQ-KGLIPLIRSA-N 420.482 1.591 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@@H](CC)C1 1508132221 WCBZFDBZTIVBNI-AWEZNQCLSA-N 415.585 1.349 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2=O)C1 1512098265 IWMJIEKIQWUZBF-OQPDCJGNSA-N 401.507 1.038 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1516970770 QFGATVPUEKMOGN-UHFFFAOYSA-N 403.446 1.568 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1518914633 MGDMREYBJKILBS-UWJYYQICSA-N 410.478 1.147 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1519512114 IXBDAWRXMGQUIF-GOSISDBHSA-N 417.535 1.993 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCSCCCO)cc1 1521082476 HJCYTZWNEJYCGS-MRXNPFEDSA-N 400.508 1.244 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1535482443 USSORCVBXMRGCW-UHFFFAOYSA-N 403.460 1.487 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccc(F)c3)CC2)c1C#N 1538697789 CATVFKYMVOMXGC-FXAWDEMLSA-N 424.480 1.608 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1538976356 KRPVNYWGSOUFHQ-HRAATJIYSA-N 413.526 1.754 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1ccco1 1539245871 LHUVSISXNLZGGY-UHFFFAOYSA-N 418.413 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 1539258199 TVPSKAFDVQNWFM-UHFFFAOYSA-N 405.550 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1539323346 FMQIWSWMVDWNHM-GOSISDBHSA-N 412.515 1.700 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS1 1539406339 YSTJOZQLLINRQV-SFHVURJKSA-N 424.534 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnc(C)s2)CC1 1539480941 HBOIBBJCZGYKFS-MRXNPFEDSA-N 414.535 1.561 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(Cc3ccncc3)CC2)c1 1539618123 CGHOEDLZWHUEHM-UHFFFAOYSA-N 402.451 1.476 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OC 1540189752 ZOSKYWIAKKUNCS-UHFFFAOYSA-N 400.483 1.605 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(Cl)=C(Cl)C1 1540862346 ZSPHFPBTKIQLNF-UHFFFAOYSA-N 401.298 1.618 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1540865878 VIPOHMGGRPBHRA-UONOGXRCSA-N 409.512 1.407 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1541732930 IWQMUPAKYMVHFT-DYESRHJHSA-N 419.526 1.743 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1542201498 SIZBIPWFCLUPKY-JSGCOSHPSA-N 410.525 1.035 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)cc1C 1542482913 GICKUIPXVGYFPI-SFHVURJKSA-N 408.466 1.380 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)n1 1543066483 DYWYHWJUFYZVPU-SFHVURJKSA-N 420.477 1.016 30 10 HDEE CCSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1552621049 MHRJGPMDJPLGDY-XJKSGUPXSA-N 401.533 1.765 30 10 HDEE COCCOCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555714992 MZHKFCQWIQZZMZ-HNNXBMFYSA-N 400.487 1.016 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3ncns3)CC2)CC1 1556700690 JKBRMJBYRJOGJF-UHFFFAOYSA-N 405.524 1.837 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C(=O)c3coc(C#N)c3)CC2)cc1 1556885711 ORUITWULWCWGHD-UHFFFAOYSA-N 407.473 1.772 30 10 HDEE CN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1F)C[C@H](O)c1cccc(C#N)c1 1559976214 NBPCGTCQUMBKLF-SFHVURJKSA-N 405.451 1.705 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(C)C 1560164972 WIAHOUZTIQAXCH-IRXDYDNUSA-N 407.536 1.767 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 1562307919 HESNDUVKDOEZIL-UHFFFAOYSA-N 411.506 1.522 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 1562705512 BBPDIDPRUBBLOO-UHFFFAOYSA-N 401.389 1.941 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)C1 1563565883 JJCXQONOTIASAR-KRWDZBQOSA-N 402.495 1.107 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3C(=O)CCCC3=O)C2)C1 1565895157 HYBGMKQTOWVOAY-FAGJFJLWSA-N 418.494 1.429 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1567388095 OJJCMEAJBYYZLN-LSDHHAIUSA-N 409.483 1.612 30 10 HDEE COCC1(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1584613055 FIJGOEUYOCCBST-UHFFFAOYSA-N 405.520 1.892 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1587856883 TZNYDNSQNIUZJJ-UZLBHIALSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)NC(C)C 1588093750 OYYRYLKJTCSSDW-UHFFFAOYSA-N 419.938 1.999 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCOCC1 1588170667 LPUCGZYTEYZZTE-UFYCRDLUSA-N 415.538 1.043 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1594961857 GGMCKLDNZNNJQN-UONOGXRCSA-N 419.498 1.669 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1595428110 HTAOMRWEMPKABS-UHFFFAOYSA-N 411.466 1.821 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1595788965 LXBYTOGIRNSRSM-UONOGXRCSA-N 418.585 1.404 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC(C)(C)OC(C)(C)C1 1595799276 XZWXYAIXCTYKQI-HNNXBMFYSA-N 412.556 1.777 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1595924703 RVWSQVJLTPVVCA-UHFFFAOYSA-N 413.482 1.376 30 10 HDEE Cc1nc(SCC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c(C#N)c(C)c1C 1598127194 WSBRIOGTPTXYFV-UHFFFAOYSA-N 418.566 1.144 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3nc(C#N)cs3)CC2)cc1 1598154430 BVZYYGLPZVUAGN-VOTSOKGWSA-N 411.487 1.545 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCO[C@H](C)C1 1608405215 GEVSSSJOMICYCN-UZLBHIALSA-N 421.521 1.359 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1618436824 GVLFNQYNRFELER-KSSFIOAISA-N 406.464 1.758 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccnc2)nnc1N1CCC(C#N)CC1 1620167056 RNDUVPHRRWNGGK-UHFFFAOYSA-N 404.496 1.141 30 10 HDEE CC[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N1CCOCC1 1621300194 WZVAWYFRIULCFS-QGZVFWFLSA-N 407.511 1.391 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1622264515 AMLHWGYJWRHZEY-LRDDRELGSA-N 406.501 1.845 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CN2CCCC3(CC3)S2(=O)=O)c1N 1623697287 IZIRRXUQKHQTNH-UHFFFAOYSA-N 400.464 1.223 30 10 HDEE O=C1CCc2cc(OC[C@@H](O)CNC(=O)C(=O)/C=C/c3ccc(F)cc3)ccc2N1 1631326990 RYGWTJSOGIMPQX-KQEHZQRSSA-N 412.417 1.849 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cnn(CCN3CCOCC3)c2)c1 1632693121 TVTVXQMHOJVCBC-UHFFFAOYSA-N 416.503 1.265 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1634011385 FZZRDXZSCRXWPI-SFHVURJKSA-N 418.519 1.614 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1636338532 QGRZPHQABCXYCO-OLZOCXBDSA-N 409.936 1.420 30 10 HDEE C#C[C@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 1636557150 MGRXXOZIMMQVBL-INIZCTEOSA-N 416.459 1.889 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CO 1636609562 PKAQYBPCZRJDNQ-CKNLXJGOSA-N 409.442 1.275 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1636839256 XUCVNWUICZMRCN-VVBPWWLESA-N 422.481 1.775 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CSc3ccccc3O2)cc1 1638998158 HHPVTYGARDWYNW-CQSZACIVSA-N 403.485 1.506 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1640895816 CJMVIOCGNJOMCX-KGLIPLIRSA-N 408.398 1.713 30 10 HDEE C=CCN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H](C)COC 1643799956 XVIFRUIBPYAROD-INIZCTEOSA-N 409.552 1.739 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1644428200 AVJJGIRDJJTFFG-LBPRGKRZSA-N 419.275 1.810 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN3CCSC[C@@H]23)s1 1644757351 CWZUYTIQHQRUAI-GJZGRUSLSA-N 415.606 1.451 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)c1=O 1652960573 WXSFFJRLFDIHQS-IBGZPJMESA-N 414.437 1.061 30 10 HDEE N#Cc1ccc(NCC(=O)N[C@@H](CO)c2ccccc2I)nc1 1653488339 QYTVXHNAXJOJBL-AWEZNQCLSA-N 422.226 1.820 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1653511209 YIPHPHDCTQKSKS-AWEZNQCLSA-N 415.519 1.989 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(F)c(Br)cc1C 1660902896 WLGFHLJCAIIPQO-LLVKDONJSA-N 424.313 1.708 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)cc1 1663403228 BYJVRIVXMAONEZ-UHFFFAOYSA-N 404.400 1.857 30 10 HDEE COC(=O)[C@@H]1CSCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1664242248 CROJBMVJAFMACT-LBPRGKRZSA-N 405.295 1.600 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1680436191 YFBBQPMOBRNEHW-GVDBMIGSSA-N 420.539 1.257 30 10 HDEE C=C(CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1681778494 DHNOHPMNKUFUHV-OHTSDLOESA-N 406.504 1.898 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C[C@H]1C(F)(F)F 1684863274 KBDTUGWONIZGHN-RRFJBIMHSA-N 401.410 1.642 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)C1 1685267459 ZNSRCYYMXYIKDA-GOTSBHOMSA-N 409.578 1.686 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1689902254 XXJGRJUUOAZNSY-QGZVFWFLSA-N 413.526 1.244 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1689961412 WZTOFEFYCODNBM-UHFFFAOYSA-N 407.478 1.386 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689980627 VKJSYPXVJONNLV-ZWKOTPCHSA-N 407.584 1.903 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1690059188 KUSAPVLLPRYMEF-INIZCTEOSA-N 416.551 1.865 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1690077001 GLDVDMPDLWZQRO-CQSZACIVSA-N 417.482 1.116 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1nncn1-c1ccccc1 1690104271 RMICZJZYBMOALM-KRWDZBQOSA-N 407.478 1.497 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnccn1 1690234911 QXJFVCYEMDFLBF-FUHWJXTLSA-N 411.510 1.922 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690268354 HIGZYRPWLZBEGF-IBGZPJMESA-N 405.524 1.216 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690496962 CZJRRLSFHAHOSW-QUCCMNQESA-N 418.586 1.983 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OC)CC1 1690509911 NJOQWPGXJOCZRL-UHFFFAOYSA-N 400.483 1.745 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1690511962 HQMGDVPWQJMZBE-UHFFFAOYSA-N 420.539 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](C2CCOCC2)C1 1690723839 BXMLEOWLZMWITF-ZWKOTPCHSA-N 424.567 1.636 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1690742168 IQVKGTJDWNGXQP-KRWDZBQOSA-N 420.583 1.449 30 10 HDEE CO[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697121503 GEJBFKPLRVQTHL-SJLPKXTDSA-N 411.510 1.800 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1705534220 CALNFODYWLEKLV-KRWDZBQOSA-N 420.539 1.154 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCO[C@H]1C 1705584931 DMFFGUASKIWPDG-FDDCHVKYSA-N 403.486 1.894 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1705585911 NVTIOHYRMNZTLU-QFIPXVFZSA-N 405.458 1.607 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccsc1 1705627905 RWRDOJJJSSFFEQ-BEFAXECRSA-N 403.508 1.284 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccn(Cc3ccccc3)n2)CC1 1705642732 FUVGTPDSARANCU-UHFFFAOYSA-N 419.533 1.863 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705657068 RIHBUXZAMDEBQX-GOSISDBHSA-N 421.530 1.739 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705752644 BWWLIHVQDOKJKI-MRXNPFEDSA-N 414.897 1.944 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cnc(C(C)C)nc1 1705895201 XJKIZXOCCJMLLE-UHFFFAOYSA-N 414.514 1.268 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)CC1 1705939646 IMFGVFIHZLRRPJ-UHFFFAOYSA-N 408.572 1.784 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1706020260 ONWAFQBDGMUFDC-UGKGYDQZSA-N 424.505 1.727 30 10 HDEE Cc1nccn1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1707792013 WUSBMIVLDVAGDW-KRWDZBQOSA-N 408.422 1.787 30 10 HDEE CS(=O)(=O)CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)C1CC1 1712698665 UJFFJALMBDTBGK-AWEZNQCLSA-N 419.507 1.698 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722318292 NOQILZXGJKGENS-NRFANRHFSA-N 411.510 1.974 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722351636 AKMVEQLZKKWXKK-UXHICEINSA-N 422.533 1.681 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cnn(-c2ccccc2)c1 1722353282 URFOKSJRFABXMX-SFHVURJKSA-N 424.530 1.678 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1C[C@]1(O)CCOC1 1722375688 FWJQALWESAFISA-LJQANCHMSA-N 415.291 1.932 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)CCOCC1 1722377267 VETNPSDAXRIXAC-UHFFFAOYSA-N 416.489 1.810 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722592107 VBRFUYZOQQDDCT-UHFFFAOYSA-N 421.509 1.924 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1722649760 CPQYKLQJLGWAOR-ZPHPHTNESA-N 406.450 1.416 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1722685166 UBCQBSSIJNJMEX-LJQANCHMSA-N 409.538 1.674 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCOCC2)C1 1722718518 LAXXRYHSMGRLPH-QZTJIDSGSA-N 405.543 1.674 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722740006 JKPAKNPYGBOJJD-ZRGWGRIASA-N 407.540 1.533 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O)N(C)C 1723817364 CMGZGYMBTHQNTN-HUUCEWRRSA-N 404.540 1.636 30 10 HDEE Cc1nnc(N2CCN(C[C@@H]3CN(C(C)C)CCO3)CC2)n1Cc1ccc(C#N)o1 1726409470 ILBXUZJXEFBNEG-HXUWFJFHSA-N 413.526 1.331 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1 1728681192 INMNDJQJMTXSIM-YESZJQIVSA-N 418.498 1.865 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1729304254 CSZBOMJKNFMWFK-UHFFFAOYSA-N 409.494 1.387 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1729641296 UOWHXWPFXPYPGR-APWZRJJASA-N 424.505 1.892 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1740556647 VBFAMVLNMRQFOE-HNNXBMFYSA-N 416.489 1.961 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1740590882 JGKFDQCKNUVYEX-UHFFFAOYSA-N 407.526 1.963 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740590910 KRKBEELXJMRGDX-CRAIPNDOSA-N 416.503 1.827 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740627659 RSGXVCLOGBBAAH-AWEZNQCLSA-N 418.510 1.775 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCSc1nccs1 1740639216 RGLSZGNZLJXITJ-CQSZACIVSA-N 400.533 1.941 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1740661013 MVDISQXIMGQUKK-UHFFFAOYSA-N 404.478 1.603 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740946775 GPIGWQCXXOUZES-HNNXBMFYSA-N 407.540 1.348 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740963069 YBNKENQOKWUAEA-KRWDZBQOSA-N 416.551 1.585 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1)N(C)C 1741862411 HNABLXOPTJGSOI-ZHRRBRCNSA-N 423.521 1.395 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1747366606 UMCDKULWCBNNCR-AEFFLSMTSA-N 410.478 1.480 30 10 HDEE CN(CC(F)(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C 1747690084 FHLLFJBLQJAIIH-UHFFFAOYSA-N 406.372 1.904 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748661842 MHUXBQWHDYLFNJ-GOEBONIOSA-N 407.453 1.676 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCCNS(=O)(=O)CC 1748677659 JRNUDRQMOIENSN-QGZVFWFLSA-N 403.552 1.965 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1nncn1-c1ccccc1 1748684943 RIRDXFKVYMNGEI-INIZCTEOSA-N 404.478 1.487 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCNC(=O)Cc1cccc(F)c1 1748794212 YJIGDBDEIOCLFP-UHFFFAOYSA-N 406.465 1.831 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1748898175 DOHJNFXDYKHPTH-UHFFFAOYSA-N 411.531 1.650 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2NC(=O)CC2(C)C)n1 1748971339 MIHZEDBLIHDUES-QGZVFWFLSA-N 413.526 1.238 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1748972379 HGTZZKLQYTXRMI-SFHVURJKSA-N 411.554 1.731 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCNC(=O)[C@H]1CC 1749114420 BUKUJMPYNGTHCZ-OAGGEKHMSA-N 404.515 1.112 30 10 HDEE COCc1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)c1 1749430737 COKHXGHNIPMGHQ-CABCVRRESA-N 420.539 1.679 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1749600378 XCYLWMLFVUAYHW-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccccc1F 1749667286 XFCUFFNXERANBP-CJNGLKHVSA-N 400.458 1.868 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OCC)C1 1749678190 YUUMRPDMNDCPRK-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1760227677 KIEXEJYEFUZQGG-OAQYLSRUSA-N 406.527 1.710 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCCO[C@@H](C)C1 1760287384 QNOHRZVJHOUMNL-PGRDOPGGSA-N 416.570 1.909 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOCC(F)F 1760289277 NNXTVLQFTCQDIY-CXAGYDPISA-N 419.498 1.552 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1760437615 JFXJORMMTLHGSO-OAHLLOKOSA-N 421.505 1.825 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760450125 DULIYVYCWXPMHS-GOSISDBHSA-N 414.510 1.769 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1760468190 LIUBAYQLFRDTKK-ZDUSSCGKSA-N 403.491 1.544 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1760521082 JEFWHHVSBHPSIV-QZTJIDSGSA-N 424.505 1.579 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](COC)OC)C1 1760545333 RWWJKUGBWRRCFJ-HUUCEWRRSA-N 419.482 1.449 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1C[C@H](F)C1 1761483161 SXGUGKLMTYYDPK-JXFSHQFZSA-N 402.471 1.468 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1761709000 DZESOWQBQOVBNH-RBUKOAKNSA-N 424.505 1.987 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1766891983 DZBBNZUUIDPMML-KZNAEPCWSA-N 409.494 1.261 30 10 HDEE COCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1770989228 COQONUWEQFRZGO-QGZVFWFLSA-N 416.526 1.840 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)C1 1771527776 FHXOHMRYYQEOJF-OXQOHEQNSA-N 420.489 1.399 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCCc2ccccc2)CCO1 1771537839 WGAHVFFPNFPODS-RTBURBONSA-N 424.505 1.260 30 10 HDEE COCCn1nc([C@@H]2CCCN(CC(=O)c3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1849384718 VRQNIDBZPWFYAN-GOSISDBHSA-N 409.490 1.960 30 10 HDEE Cc1ccc(-c2noc(C3=NN(CC(=O)NCC#CCN(C)C)C(=O)CC3)n2)cc1 1851103495 HBCVMLSUGWFUCX-UHFFFAOYSA-N 408.462 1.053 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)NCC2(C#N)CCOCC2)CC1 1852636910 KHWCIGLVPRNLNZ-CVEARBPZSA-N 420.510 1.138 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 1852652671 AHLUUPIOSNJYFM-CYBMUJFWSA-N 416.341 1.446 30 10 HDEE Cc1nccn1CCC(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1852742395 CUBONZFNRHUZNZ-UHFFFAOYSA-N 408.915 1.929 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1)c1ncccc1C#N 1852956816 JZPLEVISGMLDEE-UHFFFAOYSA-N 405.402 1.025 30 10 HDEE C[C@H](C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O)n1cccn1 1854202011 IASSMZLSZAVPBT-YLJYHZDGSA-N 406.490 1.261 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854318872 KCUQQAYEPKFPPH-RTBURBONSA-N 404.474 1.690 30 10 HDEE Cn1cncc1C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1854340690 CYJSYGCOPGCKJQ-MRXNPFEDSA-N 406.490 1.945 30 10 HDEE CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854401851 VAFDNYDCVBNCJK-UHFFFAOYSA-N 419.503 1.465 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C[C@@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)cc1 1855576564 OQRGHSGZILAXNK-APWZRJJASA-N 407.474 1.807 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CSc3ccc(OC)cc3)OCC2=O)CC1=O 1856585306 SKWCRXINNKENMT-ZBFHGGJFSA-N 404.488 1.576 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)CCc3ccc(F)cc3F)CC2=O)CC1=O 1856597115 OSNGCMBYDBOYDT-DOTOQJQBSA-N 419.472 1.849 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3ccccc3-n3cnnn3)C2=O)CC1 1857195693 GDDVSUHVDOMTIQ-IBGZPJMESA-N 407.478 1.809 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 1857220747 WTBPJTNJQGSJAK-NVXWUHKLSA-N 405.462 1.277 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)cc1 1857387539 QHPIQZBPYJLPSL-SFHVURJKSA-N 418.519 1.304 30 10 HDEE C=C(C)CN1c2ccccc2N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@@H]1C 1857474583 JSILJRPRRZVDFD-KSSFIOAISA-N 419.503 1.324 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNC(=O)CCCN1C(=O)c2ccccc2C1=O 1858033048 ARGSLSNJDOOLHU-UHFFFAOYSA-N 409.442 1.987 30 10 HDEE C=CCNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608468 CWBIERVCNKDFJJ-FUHWJXTLSA-N 413.474 1.509 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2CC)[C@@H]1c1cc(OC)c(O)c(OC)c1 1864954978 IPNUJOHSBKZJLL-INIZCTEOSA-N 414.462 1.931 30 10 HDEE Cc1nnc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)c2ccccc2)o1 1867029815 AYQNWRPGVFIROO-MJGOQNOKSA-N 419.441 1.888 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868599406 XXCMSNWNFXJEAR-MJGOQNOKSA-N 420.531 1.445 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870385258 PBXDENLTWKRKDO-RTBURBONSA-N 405.539 1.745 30 10 HDEE C#CCOc1cn(C[C@@H](c2ccccc2)N2CCCC2)c(CN2CC(O)C2)cc1=O 1870563701 LLJHXGYBGQFMEK-QFIPXVFZSA-N 407.514 1.874 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)[S@](=O)CC12CC(C#N)(CO1)C2 1882554222 JGEHNEAYFRYYOX-IPVINSQKSA-N 420.487 1.966 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@H]2c2ccc(OC)cc2)C1 1890895010 AIUZMSDGSLVYQP-VQTJNVASSA-N 400.500 1.703 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1891329701 QUZFNJJTRUOQTO-UHFFFAOYSA-N 401.426 1.714 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ncccc1C#N 2066541875 KBBIALQPKQCBEC-SFHVURJKSA-N 402.407 1.719 30 10 HDEE NCCOCCOCCOCCOCCNC(=O)OC[C@@H]1[C@H]2CCC#CCC[C@H]21 2069656862 WNEJNBMHXJOIIL-PMOLBWCYSA-N 412.527 1.177 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 2174784251 MAFLPCHWUJGOEJ-UHFFFAOYSA-N 414.509 1.153 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181116389 FGGHNIITOGUTBC-CYBMUJFWSA-N 415.537 1.361 30 10 HDEE CC(C)[S@@](=O)(=NS(=O)(=O)N1CC(C#N)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2183209714 NJRJDKQMEFYISL-RXBISOJRSA-N 420.557 1.572 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387735 ZPHPRVUNQJCFGO-GFCCVEGCSA-N 408.308 1.600 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2243424523 SNPVYRVFHMJFQR-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE C[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2243424767 XIZKMATUUSBJIX-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE C=C(CN(C)C(=O)CN1CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243677407 VVOLBSFQDBQLGL-UHFFFAOYSA-N 409.336 1.841 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258170099 LULWKPMKVXQLMP-KRWDZBQOSA-N 408.476 1.574 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CC[C@@H]3O)cc2Cl)OC1(C)C 2267353975 UBURDWBJLHHTDJ-KOLCDFICSA-N 407.750 1.750 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269026095 ICJFXCVEHWZFIP-QMMMGPOBSA-N 409.722 1.842 30 10 HDEE C#CCCN(C(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270512333 VCSYXCMZODGXDO-QGZVFWFLSA-N 424.519 1.908 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCNC[C@@H]3CO)c2Cl)OC1(C)C 2281936768 QYJTVGFARDYMMO-PWSUYJOCSA-N 400.737 1.401 30 10 HDEE CC1(C)OB(c2sccc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2282021528 NTFYQSWMIQQDSF-UHFFFAOYSA-N 413.248 1.712 30 10 HDEE CC(=O)NC1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282303809 BCBAQFGXSKHBTD-UHFFFAOYSA-N 420.749 1.210 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)C[C@H]1CN 2282325476 FSCVCFNBBAPNID-RYUDHWBXSA-N 404.338 1.416 30 10 HDEE C[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)N(C)C1CC1 2282330792 FGUIPSQUHMMJMA-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)CNCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340673 IPPRVUOBQNKLMS-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341399 RQQYKOQKJLXOHS-STQMWFEESA-N 401.359 1.971 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1 2282498454 DLYVFEHSOMCVLG-VXGBXAGGSA-N 402.347 1.381 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1C 2282505821 JPAGUJPOOFIFRD-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C1 2282617272 FLEDTFYBZRYZDB-NSHDSACASA-N 400.331 1.092 30 10 HDEE CCCN(CC(N)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830453 USJBDKBITINHHE-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282832533 ALICLVWGQVLKIM-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282843285 LBVONVYHQPSFJO-RYUDHWBXSA-N 418.415 1.337 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSC[C@@H]3CCO)c2)OC1(C)C 2282851033 WMJIZZAQDQJFDT-ZDUSSCGKSA-N 419.399 1.536 30 10 HDEE COC[C@@](C)(CCO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852957 WSMXSZRSQJQZCN-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE CN([C@H]1CCCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869853 JGZXFFHMVNQGOP-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE CC1(CO)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282877363 QIGNOJRLFMKPHQ-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284394798 CKKMADQAWWJRDH-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H]3CC(=O)O)s2)OC1(C)C 2284413080 GNVJBOXVGMHBNU-MNOVXSKESA-N 401.315 1.579 30 10 HDEE COC[C@]1(C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284677344 PGMMCXOJSJAVAV-LRDDRELGSA-N 402.347 1.287 30 10 HDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 2329012582 KYWNGQWCFJONRF-AWEZNQCLSA-N 416.507 1.471 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](CP(C)(C)=O)C(=O)O)cs2)OC1(C)C 2360621533 ZIWBUXMJXCVBDA-LLVKDONJSA-N 401.230 1.853 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CC(CNC(=O)OC(C)(C)C)C1 2365196975 RNRIWKGBIFUQMR-INIZCTEOSA-N 401.573 1.248 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2365203240 HWIPKAMWOQUZPC-HRCADAONSA-N 402.557 1.552 30 10 HDEE CN1CCOC[C@H]1C(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369901880 NXSWAMHZTXJLME-LBPRGKRZSA-N 400.737 1.648 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@H](O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2381076665 BWIRLFLGIODKCV-PMPSAXMXSA-N 400.456 1.935 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)cc2C1=O 9701607 FXYAPMLSFLTMDU-UHFFFAOYSA-N 419.393 1.611 30 10 HDEE C=CCn1c(=O)c(N2CCC(NC(=O)NC[C@H]3CCCO3)CC2)nc2cccnc21 35527767 XSOTYTHFBGAEEQ-MRXNPFEDSA-N 412.494 1.425 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCc2nnc(C3CCC3)o2)n[nH]1 59883936 RUUGNFMSMPWYRL-QGMBQPNBSA-N 417.499 1.999 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)NCC#CCOc2ccc3cccnc3c2)CC1 90743476 VCZUEBIIACIQMG-UHFFFAOYSA-N 401.488 1.405 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)CCC(=O)O)C2=O)cc1 96567200 SDFZVPYXNSHOLB-FQEVSTJZSA-N 403.435 1.342 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc(F)ccc1Br 170625337 BMQOKHWATWMMHE-CCEZHUSRSA-N 411.231 1.914 30 10 HDEE CC(C)(C)OC(=O)N(c1ccc(C#N)c(B2OC(C)(C)C(C)(C)O2)n1)C1CNC1 309874544 UQEQNYQUSDNNBX-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1F 409750061 JITFKVQUZGQLGZ-MNOVXSKESA-N 402.386 1.170 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1=O 410113157 NPXVUZUNJREAQJ-ZDUSSCGKSA-N 408.252 1.639 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)CCO1 410137849 BQWGBDUUILWXNL-INIZCTEOSA-N 419.532 1.854 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)C1=O 427168329 SYYLVLVNKLPELC-UHFFFAOYSA-N 400.822 1.614 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@]4(CNC(=O)C4)C3)s2)cc1 433270712 FAGBUNHECOPMAE-SFHVURJKSA-N 414.516 2.446 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@]2(C1)NC(=O)NC2=O 434798225 YJMNKJHVGOOEGW-FKIZINRSSA-N 415.519 1.890 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc4c(cc3O)n(C)c(=O)n4C)CC2)o1 461624707 RELVYIUMNZBTMY-UHFFFAOYSA-N 410.434 1.606 30 10 HDEE COc1ccc(C(=O)c2c(NC(=O)[C@H](C)n3cnc(C#N)n3)nc3n2CCC3)cc1 466330687 ZVJPMUMQIMUMNP-LBPRGKRZSA-N 405.418 1.732 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 467051409 ONPYJCXQOJZBIB-JFOHDYCDSA-N 405.476 1.025 30 10 HDEE C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F 478137060 PFHFOIQQMRYWJZ-LBPRGKRZSA-N 411.480 1.868 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1 479903153 PEPDMTNFOTXMPD-SJORKVTESA-N 423.539 1.044 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCc1ncccc1S(C)(=O)=O 487705518 MLNSIYVFSZYEOC-UHFFFAOYSA-N 403.460 1.841 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 487859582 SFHBWWWOQJIIPT-VHSXEESVSA-N 411.256 1.899 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 490225223 QLDJOVUKMUURLW-QUCCMNQESA-N 421.492 1.339 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 503631602 VPKBVDLWDJGLOK-UHFFFAOYSA-N 418.453 1.800 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 509010088 CYGBBRJAAAXIGF-INIZCTEOSA-N 409.512 1.601 30 10 HDEE Cc1c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cccc1S(N)(=O)=O 513821586 LNNCQAYFPFIHPA-UHFFFAOYSA-N 402.451 1.616 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC3CCCC3)n(C)c2=O)cc1C 516830114 GSZFYCGJAHVWSL-UHFFFAOYSA-N 411.527 1.634 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CCN3CCOCC3)cc21 526895790 HVSPEFHZNBODIA-JMGYQRAPSA-N 406.504 1.250 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3C#N)c(C(=O)O)c2)CC1 548202602 JJVWFMZYVXTDTJ-UHFFFAOYSA-N 418.450 1.948 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 549638500 QTNZGOLQFNCFKG-AWEZNQCLSA-N 403.508 1.592 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CCCC1 557849499 RVPYUPVEAXRLPY-JKSUJKDBSA-N 403.504 1.909 30 10 HDEE COc1ncccc1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 567365031 FGBPXPAYPGSSAE-UHFFFAOYSA-N 413.865 1.580 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 579619296 HGJFCZNTQUFGMG-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)C2=O)cc1 588865633 BXXLSXMHZGDEFB-MOPGFXCFSA-N 420.473 1.230 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 604571600 LREZUPGMRWUNST-OAHLLOKOSA-N 422.507 1.866 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NC(=O)NC3CCN(CC#N)CC3)CC2)cc1 609339616 KMFJHDTVDCXCMX-UHFFFAOYSA-N 413.522 1.977 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2c(C#N)nnc3ccccc23)CC1 610128171 AAHFKNRCVQKTGF-UHFFFAOYSA-N 404.455 1.884 30 10 HDEE C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H]1F 611501405 BKWMZDHPSXBCGL-RDJZCZTQSA-N 408.499 1.071 30 10 HDEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 730143728 DEYWCWKFDSBOJY-MRXNPFEDSA-N 408.524 1.723 30 10 HDEE Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)n1 732707200 VNIMKEXFSFVAPH-KRWDZBQOSA-N 410.453 1.766 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2sc(NC(=O)C(C)(C)C)cc2C)CC1 733149912 YFOXYJTUOPDLRO-UHFFFAOYSA-N 418.563 1.938 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](C(N)=O)c1ccc(C#N)cc1 734483523 JAQFJJLJZNVKMK-GOSISDBHSA-N 415.494 1.096 30 10 HDEE N#Cc1ccc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)cn1 741961898 OKUASWQCRHBFCT-UHFFFAOYSA-N 421.429 1.880 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 742399129 AWVUPZQYROBJMT-UHFFFAOYSA-N 414.487 1.242 30 10 HDEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 752150363 VBKWUSZZFPLQBD-UHFFFAOYSA-N 404.488 1.200 30 10 HDEE CCOC(=O)[C@@H](CC1CC1)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 752382682 MCBGDSTUGHKRAI-IAGOWNOFSA-N 412.446 1.611 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757589234 PUMMLMPRXMBNPB-NVXWUHKLSA-N 421.519 1.898 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 757887621 DAISBFVVYVZPIM-JNINTMOKSA-N 414.388 1.466 30 10 HDEE N#Cc1cccc(N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)n1 760549625 CLRZLWFYZYJHNM-UHFFFAOYSA-N 415.457 1.369 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCN1C1CC1 763042710 ABNBWNXHGXUVNW-OAHLLOKOSA-N 417.516 1.756 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 764549919 KEJPHXQTSUXINC-SJORKVTESA-N 423.558 1.261 30 10 HDEE C#CCN(C(=O)NC1CCN(Cc2ccccc2C)CC1)[C@H]1CCS(=O)(=O)C1 774165805 WBYYCZRMFWZYGL-FQEVSTJZSA-N 403.548 1.791 30 10 HDEE CCCc1c(NC(=O)C(=O)NCC[S@](=O)CC)cnn1-c1cccc(C#N)c1 785988946 DVLMXLZSCNZFPF-MUUNZHRXSA-N 401.492 1.520 30 10 HDEE COc1cc(C=NOCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc(OC)c1 794726526 UHGPCRGGAYIIOB-MRXNPFEDSA-N 412.508 1.726 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1C 796132691 OGENUJMSNJEDDB-IBGZPJMESA-N 406.552 1.906 30 10 HDEE CSC[C@@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)CC1 799599641 BTYKMPXCFKRBEJ-CQSZACIVSA-N 423.560 1.742 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(CC(F)F)c1 814187086 YYWZQVNWDNGRIC-UHFFFAOYSA-N 410.454 1.626 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)C2)n1 856698665 FMEUXXPFCYLWTG-NRFANRHFSA-N 413.478 1.750 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 921164498 ICTYPCFVZMQEOM-UHFFFAOYSA-N 406.382 1.668 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCCOC1 1131872598 OTGFKYDUFWWHRR-FQEVSTJZSA-N 404.467 1.547 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1 1144130953 FTZGCMDXNCYUIO-LSDHHAIUSA-N 415.471 1.473 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1153263086 ZPSUGUYHNBMCBK-CYBMUJFWSA-N 416.952 1.931 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnnn2-c2cc(Cl)ccc2Cl)CC1 1157009941 VHWWGFVLIOATAY-UHFFFAOYSA-N 421.288 1.081 30 10 HDEE CON=Cc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1162121059 FOOGXRXVLXBNKR-UHFFFAOYSA-N 420.447 1.626 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2c(C)cc(C)nc2OC)c1 1167945937 PULCJOMLERQMGU-UHFFFAOYSA-N 401.488 1.891 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1176782479 FSUMOUFZKRUDRI-TWOQFEAHSA-N 405.520 1.697 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1 1195042347 JOSMIVZELPMENS-UHFFFAOYSA-N 402.270 1.733 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cnn(C)c2I)C1=O 1220148930 SEHBAHWCSHFOKR-SNVBAGLBSA-N 403.224 1.275 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)C1 1248675983 JMMMXHVHHVIDSH-YOEHRIQHSA-N 419.323 1.729 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c1C#N 1252940579 PBHMRBRWNZBFSE-SANMLTNESA-N 409.459 1.466 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1C#N 1254445741 VOCKQILNGRPYMJ-UHFFFAOYSA-N 407.430 1.618 30 10 HDEE CN(CC#Cc1ccccc1Cl)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1284506801 WJQPMSZODJVJQV-ORJOSYTKSA-N 402.922 1.866 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@@H]1C 1286324671 SCFOPPDCFMRCIQ-HNNXBMFYSA-N 412.494 1.866 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1286391368 HPKQSRLYOXLXCB-IBGZPJMESA-N 413.547 1.803 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1286400121 WWFBWGDKYNTSOY-QZTJIDSGSA-N 420.583 1.226 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2(C(=O)NCC)CCC2)CC1 1286477037 MVEZMDPMDJRLRC-UHFFFAOYSA-N 407.522 1.402 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1286690241 NVXCHTCMSMTZBV-UHFFFAOYSA-N 402.478 1.638 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1286799171 SQQGFKNNZKPEEL-QZTJIDSGSA-N 418.542 1.456 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1286965485 RGCMIKHKRHWCJN-CQSZACIVSA-N 401.496 1.352 30 10 HDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1289361614 IXILUZADQBNOAU-NYHFZMIOSA-N 417.506 1.988 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1289954169 KFHLDUXVEJXFJR-LIRRHRJNSA-N 412.429 1.079 30 10 HDEE CC(=O)NC[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1293750227 LGWWUZRSKLOAEG-INIZCTEOSA-N 421.295 1.120 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C(=O)NCCn3cnc(C#N)n3)sc2C1 1297562190 XTUQMAJPOMYGFM-UHFFFAOYSA-N 402.480 1.934 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1299108734 GDKSVAHYGUTGJL-QFIPXVFZSA-N 424.505 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCN1CCOCC1 1300439305 AJQPNLSXKVFSSJ-UHFFFAOYSA-N 407.316 1.827 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1300458984 OHTQDINSOOEMMS-QGZVFWFLSA-N 414.535 1.293 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300481932 CSPYMFWFJWWJQG-IRXDYDNUSA-N 418.519 1.900 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1300578033 FWNPBLKQMSOESK-GOSISDBHSA-N 412.515 1.697 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCCC2)nc1 1300671925 RMKRICXUSNSXDQ-IBGZPJMESA-N 410.522 1.912 30 10 HDEE COCc1nocc1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1301224558 PMLHUQSDAXOLAW-KRWDZBQOSA-N 412.425 1.919 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301447217 ZZFPVBSOBIKYEO-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1301491638 MGNYMZPAANXYKC-UHFFFAOYSA-N 400.458 1.445 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)CCc1cccs1 1301498674 SBFSIARBNNPYGT-HNNXBMFYSA-N 402.524 1.662 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301596493 QHYUCQAZKISQJN-OAHLLOKOSA-N 404.540 1.244 30 10 HDEE CS[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302555773 SCRYBLMHALYGCW-XHDPSFHLSA-N 413.507 1.516 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1303065976 QPRIPMCVWSOQHU-JXFKEZNVSA-N 404.515 1.801 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2Br)C1 1303142668 SEEMPRMDZRNDFR-UHFFFAOYSA-N 401.257 1.687 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2nc(C)cs2)cc1 1309079820 QWJUOECTUBTKPD-HNNXBMFYSA-N 410.542 1.930 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(CN3CCC(O)CC3)cc2)CC1 1311894689 IDHYBHIYZUHVNQ-UHFFFAOYSA-N 414.506 1.632 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1313491638 HEKVGVFRUUMUOJ-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE CCOCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1314482118 YMZCTMXYMSEBHU-HNNXBMFYSA-N 417.466 1.736 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1358884722 VPISSBAFUTZKIM-HNNXBMFYSA-N 407.478 1.662 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358961239 UYEGYIDLQRBIFP-OXJNMPFZSA-N 419.551 1.461 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358962746 VZUPSDUHAAAXDB-HNNXBMFYSA-N 420.564 1.575 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358966231 KEUUBRFPLPAPIO-QGZVFWFLSA-N 406.552 1.553 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1359021004 YLFUNEVZXOPRNO-PMACEKPBSA-N 409.490 1.954 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCO[C@@H](C)C2)CC1 1359034000 YXBFIQJICAXIOC-FQEVSTJZSA-N 423.565 1.596 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@@H](OC)C(F)(F)F)CC1 1359039230 AGWVAUGXYYMVCP-HUUCEWRRSA-N 401.433 1.852 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1359121949 PFSKLBOWKOUGDE-NRXISQOPSA-N 401.508 1.371 30 10 HDEE C=CCCOCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1359229593 NIMIKCOXHSCSDW-UHFFFAOYSA-N 401.515 1.755 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1359282042 PONNELDCRBVLDK-AWEZNQCLSA-N 411.553 1.518 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2COCCO2)C1 1359313549 NWEIFTXBPJSMHP-LQWHRVPQSA-N 422.526 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC(C)(C)[C@@H]1C 1359331772 HWZVVYHATQBYPV-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359346572 OPHVDEMOUCCIQY-VQTJNVASSA-N 423.583 1.940 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 1439130102 HENMOLHVFQFGAX-GXFFZTMASA-N 405.398 1.341 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C1CCN(C)CC1 1439603479 LHCXWBXGFKYCTC-JOCHJYFZSA-N 412.490 1.018 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1446693785 DAFCFLSLIWPBGW-BLGFXRMMSA-N 406.504 1.387 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1463691700 SKLFKUYCTJGLII-INIZCTEOSA-N 416.565 1.775 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)ccc2c1=O 1467806740 CRVSNDRUUOCGLW-HUUCEWRRSA-N 400.504 1.152 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1469799307 ZPDYJFQABDQWIP-VXKWHMMOSA-N 418.497 1.790 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1470583887 GLSUNPMCNALGDK-PXNSSMCTSA-N 416.522 1.942 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1471336775 NICUEJOXPLWAFD-INIZCTEOSA-N 408.462 1.735 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1471535144 CNIPMHQSWAGRRD-LBPRGKRZSA-N 417.325 1.947 30 10 HDEE COc1c(F)cc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 1475099667 HWPLBPAFTBZSDX-NSHDSACASA-N 409.418 1.534 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 1479563806 OKNZRIXJAUUGPI-BZSNNMDCSA-N 400.504 1.786 30 10 HDEE C[C@@H]1COCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1494579582 LPTBDXZDCBQEPN-FZFLATATSA-N 423.477 1.015 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1[C@@H]1C[C@H]1CF 1497057234 SQRQBKCOSAJCPE-RRQGHBQHSA-N 403.506 1.904 30 10 HDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1502231226 DVQYZRPXSSJTCK-IBGZPJMESA-N 418.461 1.722 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1503362167 RQPFHJWFAVSBHQ-QZTJIDSGSA-N 421.505 1.400 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1503810073 ASDRITBPTKTWLL-UHFFFAOYSA-N 403.446 1.616 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2C)cc1 1504312227 BPCYXXRGHOFYDH-LJQANCHMSA-N 423.477 1.685 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1507601908 KKYGMIBXXPQYIT-OAHLLOKOSA-N 413.457 1.801 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCC1CC1)[C@H]1CCS(=O)(=O)C1 1507632025 IDJFSZPKKGDIQF-KRWDZBQOSA-N 419.551 1.089 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1507667047 JWECKXNSPMOUQG-GOSISDBHSA-N 422.558 1.812 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCO[C@@H]2CCOC2)CC1 1507724717 VXKBXHHZDXNCEW-HXUWFJFHSA-N 410.522 1.215 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1507750982 JLLFIZISRCWLIG-MRXNPFEDSA-N 412.581 1.409 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1507751630 QHYXVYHQSFCMNL-CVEARBPZSA-N 412.581 1.409 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508080168 LFMSTHLDAPHNCT-NRFANRHFSA-N 423.452 1.274 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)CC1 1508091233 SYIWEOSRMVCWQC-GOSISDBHSA-N 416.570 1.929 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512434470 LHAQULGUYYOYCL-ZJYNUGOYSA-N 423.477 1.482 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1513495011 JUNHYNMBOOHRQV-VGOFRKELSA-N 424.505 1.870 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1516858613 LAVYJEIGPHXJOL-OLILMLBXSA-N 412.519 1.302 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1518755151 OIEYZEFXLHKXAC-SFHVURJKSA-N 422.468 1.918 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](OC)C(C)(C)C 1519449146 KYNXBZCIGPAVOD-QAETUUGQSA-N 407.515 1.792 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCCCO)CCO1 1521129078 IMNLTRAEJBAPKT-QGZVFWFLSA-N 413.478 1.998 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1521137981 WPOBELHIYHIWDC-ARFHVFGLSA-N 417.441 1.265 30 10 HDEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 1524110516 BFVOSAXYXGQHAU-KRWDZBQOSA-N 405.458 1.840 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)[C@@H]2C[C@H](C(=O)OC(C)(C)C)C2(C)C)C1=O 1526809260 IBYVTGQQNXNUBO-MELADBBJSA-N 421.494 1.472 30 10 HDEE CC(C)NC(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1531204871 WHVMFCOJVJBJGS-UHFFFAOYSA-N 407.312 1.532 30 10 HDEE Cn1cnn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1536955199 XEVJLOMQDKXWPI-BQBZGAKWSA-N 408.249 1.211 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C2=O)cc1 1538383254 DFSDXYXJPPJOFT-AQNXPRMDSA-N 412.490 1.050 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CC1(N2CCOCC2)CC(OCC)C1 1539031850 QOKJGFNXHAFWHK-MPQSDHOMSA-N 405.543 1.542 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(F)cc1 1539118612 OTTCHIGXNOPDJI-ORAYPTAESA-N 402.451 1.584 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1539416646 RAEHNRFPQQOREO-IAGOWNOFSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1539463195 XANNHLSKGVDCGT-FYQPLNBISA-N 417.554 1.308 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1539758581 OVQJUAHJSNSCAS-LJQANCHMSA-N 415.542 1.837 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540012988 GTZVABYQXWPWKQ-MSOLQXFVSA-N 402.543 1.524 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540865864 VDNMYRBXVAACID-GOSISDBHSA-N 423.521 1.366 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2ccnn2)C1 1540883305 XIJPLRCKMPNNJK-MRXNPFEDSA-N 423.481 1.389 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)n1 1543036869 HWZRXSKKBHDPCT-QGZVFWFLSA-N 417.539 1.314 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc([C@@H](C)O)c(C)n2)s1 1545891043 QMCCYIQHFSEOBI-CYBMUJFWSA-N 409.533 1.828 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1OCCC1(C)C 1555555329 SKDXLLCFQMOYJN-INIZCTEOSA-N 404.515 1.696 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1555648598 COPMINWTRIMSHO-DCOQFNDQSA-N 404.471 1.129 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CCO1 1555994275 VZJMCLPDTRVHHF-DOTOQJQBSA-N 423.539 1.258 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)c1 1557290351 ZHIVBIICGZPRQW-HNNXBMFYSA-N 407.410 1.495 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)c1 1557639917 STXUWLRDGGUMKY-IBGZPJMESA-N 411.483 1.220 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)CCN2CC3(CCOCC3)C2)cc1 1558020987 GLCBHOZOKWZZNB-UHFFFAOYSA-N 407.536 1.335 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](c2ccc(F)cc2)C1 1558211418 DODGJKFXBHNBPI-MRXNPFEDSA-N 402.451 1.037 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1564119851 GTFDKSWTCVZKNG-HZPDHXFCSA-N 405.501 1.898 30 10 HDEE N#Cc1ncn(CCNC(=O)N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)n1 1564723746 GMPWMUABNRCFGA-CYBMUJFWSA-N 412.404 1.606 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1565173608 QFKARSJVVARNLW-WBVHZDCISA-N 406.527 1.945 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 1565642638 MKTXFQKZSDQASN-MSOLQXFVSA-N 400.523 1.422 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1c1nn[nH]n1 1567808735 BVLQQMOXTHWRFQ-QWRGUYRKSA-N 402.908 1.852 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1568888503 QSPAXUSWMVAUBD-CVEARBPZSA-N 415.556 1.423 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1568992811 NHPBTLDNOYYQAK-CYBMUJFWSA-N 402.900 1.418 30 10 HDEE C=C(CN(C)C)C(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1584574690 SZDSNMUJJMTSTF-UHFFFAOYSA-N 401.467 1.264 30 10 HDEE O=C1C=COC2(CCN(C(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)CC2)C1 1585476257 FAUCNMRIHBIBSA-UHFFFAOYSA-N 419.503 1.347 30 10 HDEE COC(=O)c1sc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C(C)C 1587522394 DSDAOLWWLVACIH-UHFFFAOYSA-N 422.488 1.730 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(-c2ccccc2)no1 1587990597 YXZDFYGAVDQYLK-MRXNPFEDSA-N 411.487 1.953 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1588050875 WRLLAXCUVIMWEJ-ZDUSSCGKSA-N 413.425 1.838 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1588138254 BDOASQNBXCELHH-IAGOWNOFSA-N 402.520 1.070 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)c1 1588138596 GHNPSAXGGJRHHD-FQEVSTJZSA-N 405.502 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1588250681 HSDRERAPUFJZBH-HSZRJFAPSA-N 418.501 1.258 30 10 HDEE Cc1cnc(C2(NC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CCC2)[nH]1 1588260738 KCDILIBIILHFIH-LBPRGKRZSA-N 401.492 1.731 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1588613028 QNHSXESHCZMOGQ-UHFFFAOYSA-N 401.492 1.337 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccco2)N(C)C)CC1 1588800728 NSHUDHAORLMKPI-SFHVURJKSA-N 408.510 1.330 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)s2)CC1 1588811400 IGBJBJRMGGSVCV-INIZCTEOSA-N 419.576 1.354 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1603333038 NADSHVNQAOROHO-RAJOGRCSSA-N 402.499 1.476 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)c1 1611197870 VJLIVRIHBOWEKE-KRWDZBQOSA-N 401.419 1.436 30 10 HDEE COC(=O)c1ccc(N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(C#N)n1 1613069203 UQAGQKXYSZEQJO-BONVTDFDSA-N 403.382 1.686 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 1617213460 MMMIBWQNGZWUKJ-CEXWTWQISA-N 406.571 1.968 30 10 HDEE COCCCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1619814956 UVUUPPXDSGXQQV-FXAWDEMLSA-N 407.515 1.864 30 10 HDEE CN1C[C@@H]2CC[C@@H](NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@H]2C1 1623651930 FIVLCQMRNXLRNR-YSIASYRMSA-N 416.547 1.415 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N[C@@H]2CCCN(O)C2=O)C1=O 1625082469 JTIJQEBMXYHAFR-IERDGZPVSA-N 410.430 1.103 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C1CCN(C)CC1 1626637044 DYAYPSSOIKYSSD-UHFFFAOYSA-N 423.510 1.016 30 10 HDEE C[C@H](C(=O)NCc1ccc(OCC#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1627859559 YJMXFVOZSDMIJY-OAHLLOKOSA-N 416.478 1.673 30 10 HDEE COC1(OC)CC2(CN(C(=O)Cn3cc(C#N)c(O)nc3=O)[C@@H]2c2ccccc2)C1 1627917135 JIGQBLXCLXRHLZ-QGZVFWFLSA-N 410.430 1.173 30 10 HDEE CC[C@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)NC(=O)OC(C)(C)C 1628037564 TVCWZGLZTGVCDV-OAHLLOKOSA-N 424.523 1.830 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C 1628775417 FPMFSTBTTWJVHT-LLVKDONJSA-N 406.489 1.746 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(C(=O)N2CCOCC2)cc1 1630677221 WOTXUBKRTRDSDO-UHFFFAOYSA-N 415.490 1.646 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cncc(OC)c4)CC3)cc2C1=O 1631142639 ZDCJYMRNCFRMGV-UHFFFAOYSA-N 406.442 1.835 30 10 HDEE CC(C)NS(=O)(=O)CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1631287571 ASUVZHLSBYCWHV-UHFFFAOYSA-N 401.529 1.081 30 10 HDEE N#Cc1cn(CC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1633311262 FKCJJLRKKPYWFJ-CQSZACIVSA-N 406.345 1.022 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 1635494448 HORPGGBDPUSBOG-OAHLLOKOSA-N 408.501 1.394 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CCOc3cccc(OC)c3)CC2)nn1 1636330904 NLVBYULYQKAQOW-UHFFFAOYSA-N 400.483 1.379 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)C[C@H]1CS(=O)(=O)C2 1636512813 SEUXEFJRSYZOST-SCLBCKFNSA-N 410.442 1.410 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1638024454 WXFFYVQKFUUURK-UVTIVQHFSA-N 406.483 1.807 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(I)cc2O)C1=O 1639594947 WKRKZFVDJJPMPQ-LBPRGKRZSA-N 400.216 1.856 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1nnc(C(C)(C)S(C)(=O)=O)o1 1641859444 VOIIOMDNTBUNJX-UHFFFAOYSA-N 406.464 1.510 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1C)C(=O)OC 1642410374 BTMOWEUYWMUHHJ-IBGZPJMESA-N 414.483 1.768 30 10 HDEE COC(=O)c1ccc(N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)c(C#N)n1 1652340188 URKWEQRWOSKQHB-AWEZNQCLSA-N 404.467 1.938 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2NC(=O)C[C@@H]2c2ccccc2)ccc1F 1654088963 CYIRSLKMABTLMU-MRXNPFEDSA-N 403.435 1.908 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C[C@H]2CCCS2(=O)=O)CC1 1654524178 VWADRNWQGRMDSW-UYAOXDASSA-N 418.563 1.517 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1654984316 LWAHPBLHZUPWET-ZWKOTPCHSA-N 409.552 1.525 30 10 HDEE C#C[C@H](NS(=O)(=O)CCCN1CCN(C)CC1)c1ccc(Br)cc1 1655458614 CGUHDODZHDRXNQ-KRWDZBQOSA-N 414.369 1.680 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1656234851 WTIYPZVQWBAEMX-CYBMUJFWSA-N 404.282 1.942 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)[C@@H]1CCCO1 1662895916 RBCQIQMNHDBVMI-GJZGRUSLSA-N 404.485 1.437 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(C)(C)C 1663654665 IPVXKNXWBPONEW-ROUUACIJSA-N 408.520 1.991 30 10 HDEE C=CCN(C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 1670448039 MIPWSSIGNRCUCD-CVEARBPZSA-N 420.491 1.728 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(=O)C(F)(F)F)cc2)CC1 1672418537 OQCFDLIILNNJBR-UHFFFAOYSA-N 418.397 1.049 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)Cc2ccc(O)cc2)cc1 1673394015 WJLWYTDMEOQVBY-QGZVFWFLSA-N 419.503 1.924 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)c1ccc(Br)cc1 1674030458 GXAXJHDXPBFUJY-MRXNPFEDSA-N 407.312 1.539 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CC1 1674111235 GZXTZFJJMPJJLV-UHFFFAOYSA-N 410.522 1.359 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H](CC)c2ccccc2OCC(=O)N(C)C)nn1 1682676014 FUUWTOYVOSNLSQ-KRWDZBQOSA-N 400.483 1.882 30 10 HDEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1683138340 FNMJUTCEELNSBB-UHFFFAOYSA-N 409.508 1.845 30 10 HDEE CC[C@@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)OCCc2ccccc21 1686690674 BLJANQPRJADAID-VDGAXYAQSA-N 403.504 1.444 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1689850319 ZUOFWBVHOJFTCA-QAPCUYQASA-N 406.490 1.862 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(O)CCOC2)c1 1689871706 BZSBAFIOEGBIQZ-QFIPXVFZSA-N 411.506 1.684 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2cccs2)n1 1689945419 DTRCDRCDCAARNL-LBPRGKRZSA-N 420.520 1.723 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1689986363 NYFKWWZWKTVBIC-MRXNPFEDSA-N 403.508 1.392 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1689988588 RYIUOCYYNKEERJ-MRXNPFEDSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(COC)c1 1689998203 FHSBZJLFDZMLNP-UHFFFAOYSA-N 409.465 1.921 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1690046406 BXBQRIMHGQELMV-HXUWFJFHSA-N 420.517 1.525 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1690179151 OVBKCDOYHSUFJK-INIZCTEOSA-N 423.546 1.585 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)C1 1690236882 SIDNNPNVNSSOCB-RHSMWYFYSA-N 404.515 1.114 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1690345679 ANKGXAYBJNDFNE-RBSFLKMASA-N 401.964 1.852 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCS(=O)(=O)C1 1690518425 JJMZMZLWDABKRT-CQSZACIVSA-N 424.548 1.406 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1690639449 PGFDTJWTHRZTDE-SFHVURJKSA-N 412.542 1.152 30 10 HDEE CC(C)c1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1691682796 JKMMXWFSQBFRCW-ZPHPHTNESA-N 402.499 1.791 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCCCCO)CC2 1696883732 LDLGXRMIRVIQQQ-UHFFFAOYSA-N 419.489 1.636 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cnnn1C 1698237299 HQAVEQOUVCJZHL-HKUYNNGSSA-N 422.493 1.687 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2COCCO2)C1 1698482613 FTSSOZTUWCWPON-AUUYWEPGSA-N 415.429 1.173 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705559702 FCMBYDTYDSQCCC-SJORKVTESA-N 407.584 1.687 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCN(C)C1 1705575274 DYDXWMKDOHGMKD-QFIPXVFZSA-N 409.490 1.102 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOCC1 1705695752 YXCVSDWSBNMOSK-ROUUACIJSA-N 420.558 1.166 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1705875373 PQOCRWNHWQZFJL-OAQYLSRUSA-N 416.547 1.905 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705888189 JTYZVHQJTNNAKK-HNNXBMFYSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C)c1 1705897585 PJWOWHVPOZVXIP-HNNXBMFYSA-N 420.539 1.135 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1705904447 PNQYAWQNJHTUIB-UHFFFAOYSA-N 423.583 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1705939296 VGNXHZGRORGVGO-USXIJHARSA-N 410.540 1.734 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCCC1(C)C 1712451665 AAFSJZIUBXXLPR-HXUWFJFHSA-N 406.531 1.724 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CC(N)=O)C2)o1 1712880604 DMJJTOYMOFWWRG-CQSZACIVSA-N 411.466 1.005 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2CCS(=O)(=O)CC2)c1 1722304627 BBJSWBVWSXITBB-UHFFFAOYSA-N 415.519 1.468 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(OC)c2)CC1 1722429131 HQSDEWDTVPBGCJ-UHFFFAOYSA-N 408.506 1.326 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1722434876 YQLBLHZBACYANX-NRFANRHFSA-N 412.925 1.832 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722459523 LXDYUKJZFCJOOC-CABCVRRESA-N 404.496 1.418 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703462 AGQLOELMSHUUKH-FVJLSDCUSA-N 421.542 1.482 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCOCC2)C1 1722718531 LAXXRYHSMGRLPH-ROUUACIJSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)CC(C)(C)C1 1722730686 ZYPJGHVEFPSMMN-INIZCTEOSA-N 423.583 1.874 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCN1CCOCC1 1729585768 RHCXTLGOMKUDSV-FQEVSTJZSA-N 401.490 1.838 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1729777156 BSPBDBODQCIJMD-KRWDZBQOSA-N 421.461 1.510 30 10 HDEE COc1ccc(OCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1730204392 FSXKEHOABXQREQ-LJQANCHMSA-N 423.477 1.885 30 10 HDEE CO[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730372041 DCXPHRUDYGWIKI-AMGRQBIBSA-N 402.499 1.618 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740624450 IXKIVNYCYJGJQK-WIYYLYMNSA-N 420.579 1.799 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccnc1OCC 1740644648 ODQGGXUCYCAEMZ-OALUTQOASA-N 409.490 1.917 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC(=O)N1CCOCC1 1740942217 HGVKYFNVLZHEHA-UHFFFAOYSA-N 413.522 1.675 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1740955238 ZQPUUPGCAMLYGQ-MRXNPFEDSA-N 409.494 1.951 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)C1 1741983463 BWFWFXNNWOJYCS-HXUWFJFHSA-N 410.482 1.114 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1741993354 IBYDEZYVCKDJJY-QZTJIDSGSA-N 408.506 1.707 30 10 HDEE Cc1ccccc1-c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(C#N)o1 1742385089 SXDCRIODKJIARS-UHFFFAOYSA-N 414.491 1.752 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCOC1 1748687163 DJISHXFYIDJOSJ-IERDGZPVSA-N 400.479 1.865 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)COC)CC1 1748724406 CRUCRDPTOQFZSE-UHFFFAOYSA-N 413.526 1.238 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1748780883 PBUXOADWISDFIH-OAHLLOKOSA-N 411.462 1.238 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748787774 HTRJBNGXBICTHN-RCCFBDPRSA-N 421.567 1.446 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1748825331 VCMXQTZOSNCPHX-UHFFFAOYSA-N 419.551 1.094 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCNC(C)=O 1748881103 BWJGWRUAOJDSDG-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC(F)(F)CO2)CC1 1748987660 ZXGLETFYPCZFBJ-INIZCTEOSA-N 402.449 1.828 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(C)cc2C)CC1 1748989686 BASDMVJANVSNHU-HXUWFJFHSA-N 406.534 1.844 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2CCN(C(C)=O)CC2)CC1 1748993448 XXPLVJCIIRNCCX-UHFFFAOYSA-N 421.549 1.278 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCO[C@@H]1C 1749055328 HPBQPSOYQKVATR-DBOLQNLKSA-N 404.511 1.462 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1ccnn1 1749055465 KAAGPWFJQFXOSB-NHCUHLMSSA-N 413.526 1.993 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749232536 OEPWIYOVHHPBBI-IBGZPJMESA-N 414.510 1.198 30 10 HDEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1749447748 NDDHDGRYODPQJJ-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)[C@H]1CCOC1 1749680683 NRRBQVUFPNKKNF-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN(C)C)C1 1749718665 YALNMFCKTNMYRH-KRWDZBQOSA-N 404.559 1.770 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1749923000 DRIYLHCSMLPSKB-HNNXBMFYSA-N 411.466 1.132 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1750049457 UFXVJJMAHZMFDT-SFHVURJKSA-N 412.494 1.537 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@H]2CCOC2)CCO1 1750385892 CQZYVQFYAPPIOC-JKSUJKDBSA-N 418.885 1.918 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCNC(=O)C2CCC2)CCO1 1750389155 WRXRIEPOBAJOCK-KRWDZBQOSA-N 414.535 1.966 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)C1 1751282737 PQMUZNSEMHMDDZ-DNVCBOLYSA-N 416.432 1.943 30 10 HDEE Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@@](F)(C#N)C2)s1 1751865052 REUQNFPBLMQHSD-QGZVFWFLSA-N 406.491 1.651 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1760138058 QLTKUSJFTLJNPV-FGTMMUONSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCN1CCN(C(C)=O)CC1 1760168559 GWYFINFPZNRZSS-UHFFFAOYSA-N 417.517 1.727 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1760259446 BKUMSQNQYDCLFA-QRVBRYPASA-N 413.570 1.105 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC)C1 1760272158 ANKQNYPKQQSTRK-OAHLLOKOSA-N 416.507 1.143 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1760495447 ODHXBBXWIQZTTB-IRXDYDNUSA-N 423.539 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](CC)C1 1760557814 WZPLSZZDPPRDGA-KRWDZBQOSA-N 406.556 1.977 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1760694815 VTUWKELVEZFKTJ-HNNXBMFYSA-N 424.509 1.768 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@@H]1C 1767945782 QBYFJDCJPLGZRH-AWEZNQCLSA-N 411.466 1.182 30 10 HDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768470017 BNMRHCWDXRYOLT-MOPGFXCFSA-N 423.521 1.546 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1769277202 XKJFLDUMRXOFPP-IAGOWNOFSA-N 413.457 1.357 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1769737576 IAOHGELOYCFICZ-INIZCTEOSA-N 415.519 1.867 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1771267782 XEEFGDWTYOXTSC-GOSISDBHSA-N 412.494 1.572 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cccc(C)c1)C(C)C)[C@H]1CCN(C)C1=O 1848936276 SNDISDRDYHMEFN-ROUUACIJSA-N 407.536 1.543 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)c1nnn3c1CO[C@H](c1ccc(Cl)cc1)C3)CC2 1850866270 HGNFSNBQABLCJF-KRWDZBQOSA-N 409.837 1.996 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(CC(C)(C)C(=O)Nc3ccc(C#N)cc3)C2)c1=O 1851211081 YPZHQHDUVBBVRS-GOSISDBHSA-N 409.490 1.720 30 10 HDEE C=CCN1C[C@H](C(=O)N(C)c2c([N+](=O)[O-])cnn2-c2cccc(Cl)n2)CC1=O 1853378082 LHKJDILXVJWIHO-LLVKDONJSA-N 404.814 1.826 30 10 HDEE Cc1ccc(C(=O)N2CCCN(C(=O)CCON=C(N)c3cccn3C)CC2)cc1 1853547655 ODLZRCKKYITXPM-UHFFFAOYSA-N 411.506 1.735 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)cc1F 1855046610 XKVLNEYCQAVJOJ-RHSMWYFYSA-N 414.481 1.904 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCCN(C(=O)[C@@H]4COCCO4)C3=O)CC2)cc1 1855157313 JBRUONPKYCOLRA-UXHICEINSA-N 413.474 1.334 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3c2CCCC3)CCN1CCOc1ccc(C#N)cc1 1855956019 JXDHJHPNGAHWIC-MRXNPFEDSA-N 407.474 1.843 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)C4CCCC4)C(=O)C3)C2)cc1 1856099160 UXAREFWQMXXJND-HXUWFJFHSA-N 408.502 1.676 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N(C(C)C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1856443379 SUJHHIXWKGNXMP-ZWKOTPCHSA-N 403.504 1.505 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C1=O)CC2 1856532069 REWCTTCMVPIPFU-TZMCWYRMSA-N 423.395 1.784 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CCC(F)(F)C3)C2)CC1 1857063106 WOFRXYYXEZLMKR-UKRRQHHQSA-N 417.478 1.752 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc3n(n2)CCCC3)C1)[C@@H]1CCN(C)C1=O 1857076576 KXLOVZFQTVDOJV-QFBILLFUSA-N 413.522 1.317 30 10 HDEE CCn1nccc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857471353 UVQDPJJWLLUULE-HNNXBMFYSA-N 408.462 1.312 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2)C1 1858316118 GAKHJLJJXOIXLF-OAHLLOKOSA-N 409.464 1.439 30 10 HDEE O=C(NC[C@H]1CCCO1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932305 ZQBQTPHYEWEWCS-SJLPKXTDSA-N 413.499 1.632 30 10 HDEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)nn1C 1889240835 SGTIZMMVZRLRMK-UHFFFAOYSA-N 401.555 1.379 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(C#N)c(F)c1 1889779064 TXELKODWNIBBSZ-MRXNPFEDSA-N 406.439 1.772 30 10 HDEE COCCn1c(C(=O)N2CCC[C@H]2C#CCN(C)C)cc2c(=O)n3ccccc3nc21 1890292615 RAPKSAXIOBLULT-QGZVFWFLSA-N 421.501 1.465 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1891162204 DWCWXYWJVZPZNF-MRXNPFEDSA-N 404.426 1.867 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)CC1 1892287278 ZTJWNVPMYVCTQL-UHFFFAOYSA-N 406.471 1.587 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1951334095 DVHAWIHCWLDFBW-YUNKPMOVSA-N 402.403 1.767 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1(F)F 1965778298 XKCGLDKNJXWXKK-ZDUSSCGKSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1993309752 LGLVFZHXPKYNLE-DMAKZNTKSA-N 424.498 1.376 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025898577 GAVMKDREUUEIAA-CQSZACIVSA-N 421.303 1.595 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025899167 JRECEOAFPGWTIF-CQSZACIVSA-N 421.303 1.859 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCn1cc(Br)nn1 2072759649 HHPITJGNKCAIGC-LLVKDONJSA-N 415.292 1.744 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(C#N)cc1N)C(F)(F)F 2162585281 URYYORPRXIVCAN-LBPRGKRZSA-N 408.402 1.874 30 10 HDEE CC1(C)OB(C2[C@@H]3CN(C(=O)CS[C@@H]4CCS(=O)(=O)C4)C[C@@H]23)OC1(C)C 2163718830 PRZREVQUZKSHAX-JHJVBQTASA-N 401.359 1.457 30 10 HDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CC[C@H](C#N)C1 2174781487 GJFWGMXFTWMRSQ-HUUCEWRRSA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174784800 RTLVPLHJPITKQJ-ZQIUZPCESA-N 404.508 1.699 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)C[C@H]1C(=O)O)C(F)(F)F 2180571465 CDLMQLSHYWGGBO-CDUCUWFYSA-N 400.222 1.697 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195307811 CQPQQCSMGULVSH-AWEZNQCLSA-N 403.545 1.501 30 10 HDEE COCCNS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1C 2202939160 ZLYXSYKEZLGETM-UHFFFAOYSA-N 404.725 1.840 30 10 HDEE CO[C@H]1CC[C@@H]1CS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2239412852 SFDZEMIQYCWMKI-DOMZBBRYSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2243325291 XKCMPDODRSIUQJ-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCN2Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2247823445 OZAPZGURURICEH-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247865107 PJMVSHYDLOLBHO-UHFFFAOYSA-N 424.303 1.850 30 10 HDEE Cc1ccnc(C(=O)NCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915795 JQGUVDSVDRKNEY-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N(CCC(=O)O)Cc2ccccc2)OC1(C)C 2248588583 FOTYKOGNUVQUEH-UHFFFAOYSA-N 411.267 1.893 30 10 HDEE C#CCN(CC(=O)Nc1ncnc2[nH]nc(Br)c12)C(=O)OC(C)(C)C 2263335796 CPOQCAPKMUTAFW-UHFFFAOYSA-N 409.244 1.924 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CN)C(F)(F)F)OC1(C)C 2267466122 VUSVOZVLFGWUCV-SNVBAGLBSA-N 400.253 1.215 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2269027637 CHXNSXVGLRFJLP-IONNQARKSA-N 407.706 1.452 30 10 HDEE C[C@H](C1CC1)N(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270505453 GJSFNICGJURDHW-RHSMWYFYSA-N 423.491 1.710 30 10 HDEE Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1C#N 2270507462 CWHQVZBBMCPWDT-QGZVFWFLSA-N 417.443 1.988 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2279246185 XDYXTMODEHTXMG-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282059498 JGNMMPOZRVIJFX-NSHDSACASA-N 401.359 1.909 30 10 HDEE C[C@@H]1CNC[C@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308850 WYJHTNHRKPGFHG-MNOVXSKESA-N 420.793 1.835 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282321113 RYADUCVIEWZKMY-VWLOTQADSA-N 422.403 1.362 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@@H]1CCNC1 2282325966 MAAUQULZKSIUBV-WCQYABFASA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@H](N)CC3)c2)OC1(C)C 2282346594 WWTBGRMWGOKSJE-UONOGXRCSA-N 400.375 1.986 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C)[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840351 MUZDDVIPCUOIIA-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCCNC2)OC1(C)C 2282842887 FDYSTGLLBUVTGG-ZDUSSCGKSA-N 400.375 1.466 30 10 HDEE C[C@@H]1[C@H](O)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844361 CEEQYYRHWOCNNT-TZMCWYRMSA-N 401.359 1.722 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282845654 XETHEVMBMJOJFF-OLZOCXBDSA-N 400.375 1.465 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1CN 2282853372 BYFPLHFNJDFRNI-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CCC[C@@H](CN)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854746 VMOMDMKANNTSFQ-OCCSQVGLSA-N 400.375 1.938 30 10 HDEE C[C@H]1C[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869445 CUMBQONEPNIXEZ-GXTWGEPZSA-N 401.359 1.722 30 10 HDEE C[C@H]1CN(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](C)O1 2284062028 IJOVGWKRYHZQIV-QWRGUYRKSA-N 403.335 1.208 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284397954 RWUBJNSWNBLMOJ-NSHDSACASA-N 401.315 1.512 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC(=O)O)C3CC3)c2)OC1(C)C 2284404137 WLEKVHWXQARQNO-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CCN([C@H](C)C(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284415320 WXCMQYSKPNWIEQ-SNVBAGLBSA-N 404.319 1.067 30 10 HDEE CCCOc1c(C=Nn2c(CNC(C)=O)nnc2SCCO)cccc1OC 2330794601 XKFAQNFUZXPYNQ-UHFFFAOYSA-N 407.496 1.678 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336253130 KULNYWCCLUYQEQ-KDOFPFPSSA-N 402.582 1.946 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367784639 BXBDYHZOJQCXCT-GJZGRUSLSA-N 401.525 1.733 30 10 HDEE CCC[C@@](C#CC1(S(C)(=O)=O)CC1)(CNC(=O)OC(C)(C)C)OCC(=O)O 2367792138 LSIRBCWFZIYNMA-QGZVFWFLSA-N 403.497 1.732 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2367815471 GUUMQDGHZYEVGN-AUUYWEPGSA-N 400.541 1.306 30 10 HDEE CCC[C@@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367838737 HCJROSYOTLPNSR-HOCLYGCPSA-N 401.525 1.828 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367842743 HIRCNGZUGOUMOH-DGCLKSJQSA-N 407.435 1.142 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H](C#N)N3CC[C@H]2C3)C1 2368805806 MLGREWFYAKDKJW-WEMPKCCASA-N 412.490 1.611 30 10 HDEE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368849826 UFZKWMCVXZFIBY-QWHCGFSZSA-N 400.375 1.840 30 10 HDEE C[C@@H]1[C@H](O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C 2370705355 IDSUHKVFDNYNTI-OUCADQQQSA-N 401.359 1.827 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCCNC(=O)c2ccccc2)CC1 45559622 MRQHSPBFOLMVPZ-UHFFFAOYSA-N 408.462 1.685 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 47538401 SQWFGUHKNCRXBE-UHFFFAOYSA-N 409.446 1.511 30 10 HDEE COc1cc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCC(=O)O 59159243 QDZOULQFOQYTAR-VXLYETTFSA-N 421.431 1.429 30 10 HDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 71530812 ZKNLDCLGJONBKS-LBPRGKRZSA-N 410.477 1.205 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](S)C[C@H]1CN(C(=O)OC(C)(C)C)S(N)(=O)=O 80304099 JQXFEQZHDMPMJE-WDEREUQCSA-N 411.546 1.735 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)Cn3c(=O)[nH]c4sc(C)cc4c3=O)cc21 96542411 UTXTXUKUHBMYCS-UHFFFAOYSA-N 411.439 1.854 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3ccccn3)o2)c1=O 101351001 ZXWMNUSGYXHFRL-UHFFFAOYSA-N 414.447 1.131 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 138488365 FPSIHDUMCFQUPF-NRFANRHFSA-N 402.454 1.992 30 10 HDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 170498128 RGVPEPQPOMYRCS-UHFFFAOYSA-N 417.341 1.282 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 195541525 IPYWNUFFEMFHMU-LJQANCHMSA-N 403.442 1.099 30 10 HDEE N#CCC(=O)Nc1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219605016 LJDFVGGGUYKUQX-UHFFFAOYSA-N 407.342 1.682 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C1 409471200 NBJURZYZTPHPCO-HUUCEWRRSA-N 416.507 1.448 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)CC1 426558052 GFHDVDMRBWEBJO-WOJBJXKFSA-N 412.538 1.553 30 10 HDEE Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430310827 FFIYJHPVCWOCSS-UHFFFAOYSA-N 400.504 1.933 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CCOC[C@H]1C#N 461847004 CFMFESFZQNIDFX-OAHLLOKOSA-N 405.410 1.856 30 10 HDEE C[C@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC(=O)N1Cc1ccccc1 461891000 UDBLXDAFKWPMQB-XJKSGUPXSA-N 414.443 1.934 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccccc3F)C2)CC1 464448467 HBPUPUGWHASFCD-KRWDZBQOSA-N 403.502 1.281 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 469251287 XJEAMPFCYITPEJ-RTBURBONSA-N 407.536 1.933 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3n[nH]c(CC)n3)CC2)cc1 481979723 IUIFBGCDRSTLFB-UHFFFAOYSA-N 403.508 1.851 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1 483461247 SKGCDYAAVPBKAL-HNNXBMFYSA-N 414.491 1.907 30 10 HDEE COC(=O)CCCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 485195546 VOUKVDMJCHVBNW-UHFFFAOYSA-N 421.519 1.809 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)CC2)n1 510349026 RPWSJNBQIYVUBO-SFHVURJKSA-N 411.510 1.465 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 534602688 AAYZNJNBIAPCFW-KRWDZBQOSA-N 411.527 1.508 30 10 HDEE N#CC1(c2ccc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)cc2)CC1 539677864 GHGWBWDYDXGZOH-UHFFFAOYSA-N 404.474 1.500 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)CC2)n1 546917168 SFNPJCORCFGELM-HXUWFJFHSA-N 409.465 1.814 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 555572831 GMHAIBKGDBICHQ-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(Cc2ccccc2)nn1 559028298 UDIKTRDZCQKLHT-AWEZNQCLSA-N 410.459 1.504 30 10 HDEE Cc1c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)nnn1-c1ccn(C)n1 559372527 UTGSMVVFFMJBGX-OAHLLOKOSA-N 422.474 1.335 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 566800879 JALRZAMWQAIOEI-VGSWGCGISA-N 422.489 1.955 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NCc2ccc(C#N)c(OC)c2)cn1 583854357 MUKZJAOCMGWALT-UULLZXFKSA-N 401.492 1.798 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 598683359 GBRTXHZXEOHEGL-XJKSGUPXSA-N 402.520 1.759 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 603999908 CZQXKJONBUTEKM-UHFFFAOYSA-N 402.435 1.169 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 610195613 SUBNJKBNGMIRCX-UHFFFAOYSA-N 413.503 1.355 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 617477402 AMJJHMFACDRMEE-HNNXBMFYSA-N 406.489 1.548 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 670204278 XQQGCJWNFDXOCA-MRXNPFEDSA-N 423.583 1.841 30 10 HDEE Cc1nc(I)c(I)n1CC[C@H](N)C#N 725538097 QQAKQMUJHLKWAN-LURJTMIESA-N 416.004 1.642 30 10 HDEE C#CCN(C(=O)CSc1nccn1-c1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 729331191 KKLTWMAMOIQDLB-INIZCTEOSA-N 419.528 1.622 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)c1 731130162 VSDVOEJJKAHSQP-UHFFFAOYSA-N 419.481 1.859 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 731213619 IPYVEFBLKSQFFD-GOSISDBHSA-N 405.520 1.229 30 10 HDEE COc1ccc(OC)c(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 731905218 WVIFBEGTLRIOER-UHFFFAOYSA-N 416.503 1.545 30 10 HDEE N#C[C@@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCN1C1CC1 732650531 VZTGXVSSJUPQKF-CYBMUJFWSA-N 417.263 1.244 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NS(=O)(=O)C3CCCCC3)C2=O)cc1 733859634 ZHWACKPTIMVVTP-INIZCTEOSA-N 418.475 1.542 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(N2CCCCC2)cc1 737304675 BUZFRBFQQDPMDD-HNENSFHCSA-N 411.462 1.258 30 10 HDEE C#CCN(C(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 751275081 NICSUDPGROKOAM-LLVKDONJSA-N 420.365 1.798 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cccc([C@]2(C)NC(=O)NC2=O)c1)c1ccc(C#N)cc1 756219113 HITUWQIKYQHBBF-KKSFZXQISA-N 407.382 1.684 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)CN(/C=C/c4ccccc4)C3=O)CC2)n1 760551386 LSDPDIZJYZIWKC-MDZDMXLPSA-N 402.458 1.968 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 760933223 LEXOURFVLPAKSG-CYBMUJFWSA-N 410.459 1.183 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 764430116 AUSSPEPDYGBKSW-UHFFFAOYSA-N 414.422 1.829 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 765521401 XVLBEVNVPSHRRP-AWEZNQCLSA-N 422.507 1.351 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1cnn(-c2ccccc2)n1 766291217 QVIPZYVDFYWMKL-CQSZACIVSA-N 411.443 1.549 30 10 HDEE N#CCOc1ccccc1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767147302 DGGIVFNIWDMHPS-RBUKOAKNSA-N 404.470 1.918 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cnc(Cl)c(Br)c2)CCN1C1CC1 768155861 WVIHRAHYFGHRDX-LLVKDONJSA-N 412.675 1.635 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1cnc2c(cnn2C)c1=O 769716255 GWVOVCILROUKAX-UHFFFAOYSA-N 418.207 1.378 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCOC 772899237 HFFUVKFQWWTOMG-UHFFFAOYSA-N 422.510 1.134 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 774151767 CDFVIZFZHOWHHT-ICSRJNTNSA-N 421.563 1.910 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 774262523 KEJZRFUENDFDSG-KZNAEPCWSA-N 409.939 1.917 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1Oc1ccccc1 776137395 FVJJZEWSADAEKM-XOGHWANLSA-N 414.462 1.437 30 10 HDEE C[C@]1(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCN1Cc1ccccc1 779570028 LEZCFWWTPSFONF-YVHXKWHWSA-N 411.506 1.867 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C[C@]3(CCc4ccccc43)C2=O)CC1 781136310 BDILUHUMFYTFMB-QHCPKHFHSA-N 401.470 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H](c2ccccc2)c2nc[nH]n2)C1 782995619 LWQOKHHSIRNUMF-HRCADAONSA-N 411.466 1.952 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C(=O)N1CCCCC1 787494610 RPWKSQDEHWVJIW-LJQANCHMSA-N 423.517 1.758 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)n1 788695125 DXZWEYCCBJSWRX-UHFFFAOYSA-N 403.420 1.133 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)n1 788821928 ZTYJBAIALRLEPS-FQEVSTJZSA-N 408.502 1.848 30 10 HDEE Cn1cc(C(C)(C)C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 790836826 ROYTVFYEWWMWNQ-UHFFFAOYSA-N 411.281 1.837 30 10 HDEE N#Cc1cccc(N2CCN(Cn3nc(-c4ccccc4[N+](=O)[O-])oc3=O)CC2)n1 794639545 MDOHYZSEDOZUTK-UHFFFAOYSA-N 407.390 1.458 30 10 HDEE C#CCN(CC#N)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 798804869 IIJAPFKRVNUDKZ-OAHLLOKOSA-N 410.293 1.588 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1 799967555 JTTRQNLOEOXGBO-MRXNPFEDSA-N 403.483 1.687 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 805092767 XHMJWXUIQIALJQ-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 809801412 VNLLNQHQSOMXKG-KNXBSLHKSA-N 420.506 1.818 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 810382564 QGGZFMCPYUXQLH-OCUQMRJBSA-N 406.361 1.085 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 811142044 VZOPAFUTSOCIPJ-UHFFFAOYSA-N 423.491 1.359 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 812468030 ZQYMZTDZSBUXHG-PLNGDYQASA-N 400.483 1.866 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1128907271 LFQDJCBFMDWSKI-MSOLQXFVSA-N 423.535 1.095 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2c(cccc2C(N)=O)C1 1131647131 JWRHIYOMAFEAFP-UHFFFAOYSA-N 402.458 1.834 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 1132801412 QVMIUNBUGVJCNR-MZEUMTGBSA-N 403.442 1.889 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H](C)CC)c1 1135839247 XBZHFMLAHGFOAO-RHSMWYFYSA-N 408.545 1.913 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)c1 1141949759 SAFOFAWFTQHKMK-ICSRJNTNSA-N 423.444 1.066 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1 1142422347 DGDAONZOJFZNOT-QGZVFWFLSA-N 402.476 1.618 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)C1CCC(F)(F)CC1 1142731253 QOICQKJJFSRSER-UHFFFAOYSA-N 413.446 1.626 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3ccc(F)c(Br)c3C2)c(=O)nc1O 1148587494 OYROXPMJMUEPNQ-UHFFFAOYSA-N 407.199 1.307 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CCOCC1 1155807130 SLNHWYMLLUHOON-UHFFFAOYSA-N 414.911 1.567 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1160841463 ROAQXCMLLKPUES-KRWDZBQOSA-N 406.531 1.974 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1180201605 VPVNPCUBCWCIGH-NRFANRHFSA-N 418.494 1.582 30 10 HDEE CN(c1ccccc1)c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cn1 1180989115 JBAGGPGTTDYCCY-UHFFFAOYSA-N 402.414 1.681 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 1193575077 WCFNPZSLAUSNKB-IBGZPJMESA-N 419.459 1.697 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1198326266 BPJSCTCIUJXDTA-ABSDTBQOSA-N 400.504 1.500 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccc3)cn2)CC1 1216624760 OIQYYDPEWSEJHB-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE C=C(CC)CNC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1225040124 GAXJNNHAIZZFSJ-UHFFFAOYSA-N 419.525 1.056 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 1248676343 MWETUHQLPQIZAK-IAGOWNOFSA-N 419.323 1.729 30 10 HDEE C#CC1(F)CN(C(=O)NC[C@@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1255638157 OKDALXFGPXROCR-AWEZNQCLSA-N 409.458 1.686 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1256115572 AITHQSARRRNYLJ-QXSJWSMHSA-N 411.524 1.359 30 10 HDEE N#Cc1ccc(CS(=O)(=O)Nc2cnc(I)cn2)cc1 1260038182 RHUGSELBTMFIFE-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)C)c1 1286309503 LGSLVYOWZLQQBR-YJBOKZPZSA-N 423.521 1.236 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1286312753 ZVLAXIRMLSOCSH-GOSISDBHSA-N 413.526 1.630 30 10 HDEE C#CCCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286359631 GBHXVTUTPSXTEO-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1286409095 IDDBGFGQURXFHH-SFHVURJKSA-N 417.579 1.375 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1286445815 BVHJCTMKQIOGRM-MRXNPFEDSA-N 416.503 1.459 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(C)(C)N1CCOCC1 1286465915 ULNHZIWZXBWLFE-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCN(C)C(C)(C)C2)CC1 1286477303 WIYXAEISIPTEAD-UHFFFAOYSA-N 410.570 1.054 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2ccnn2)CC1 1286479859 YBJUOAKCQHXOEI-UHFFFAOYSA-N 424.940 1.959 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286509316 YZYLFDZXNHLPLC-INIZCTEOSA-N 413.551 1.494 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286793813 MMKWBFVLCYCRHQ-KXBFYZLASA-N 409.556 1.563 30 10 HDEE CC(C)C#CC(=O)N(Cc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1O 1289222696 OVHPTQCKVRZGQP-ASPUVNIQSA-N 422.525 1.670 30 10 HDEE COC(=O)C1(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1296224576 XGKREBDOJNOESE-UHFFFAOYSA-N 408.495 1.723 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](CO)Cc3ccncc3Cl)CC2=O)cc1 1297288648 AWTGHEAVEZJMAB-WBVHZDCISA-N 412.877 1.927 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C 1298098790 HHMCLQKEGZEOLB-CQSZACIVSA-N 406.483 1.552 30 10 HDEE COC(=O)c1cc(C(C)(C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)no1 1298775097 ULNGIWCEKVHTSM-UHFFFAOYSA-N 409.395 1.563 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCS(C)(=O)=O)cc1OC 1299991743 BANZKCYXKOYBAM-ZDUSSCGKSA-N 407.496 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1300267027 COAVXGLGFGSQTB-OAHLLOKOSA-N 409.494 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1300309991 WGEMONMPHCEKAR-JYJNAYRXSA-N 402.524 1.097 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1300340155 VHFDWTMXAUEXRO-IRXDYDNUSA-N 408.572 1.366 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1300357586 REPMICUEADTNLA-MRXNPFEDSA-N 415.542 1.663 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1300481931 CSPYMFWFJWWJQG-IAGOWNOFSA-N 418.519 1.900 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1300505743 HVFCYKSJZOHLHD-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1300538690 UKNCJIMRETVYLC-LJQANCHMSA-N 417.579 1.375 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1300733100 SACFOMCXCDABQR-UHFFFAOYSA-N 418.567 1.233 30 10 HDEE COC[C@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1300967319 CZBVFLKPIOAPAE-HUUCEWRRSA-N 423.477 1.203 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1301249037 OFDMCBKXXGWJOJ-QGZVFWFLSA-N 415.542 1.964 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@]1(C)CCCS1 1301297691 SSZZQXMZFUQXBA-WMLDXEAASA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1301479423 ZSOVWVJDKBNKKI-CABCVRRESA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CC)C1 1301485673 ZXPCZUDNYZOFTJ-MRXNPFEDSA-N 400.439 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCCCO1 1301577369 IOFJAOATIATOOA-INIZCTEOSA-N 407.540 1.890 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)c1 1302890286 OCAOXCDZQNQQFX-UHFFFAOYSA-N 402.394 1.234 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1303011638 NZVQGGQJBMKHFJ-SFHVURJKSA-N 415.542 1.472 30 10 HDEE COC(=O)CCCCCn1c(SCC(=O)NCC#N)nc2ccccc2c1=O 1307276618 KFEBVHBVSCDCEG-UHFFFAOYSA-N 402.476 1.862 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)C1CCOCC1 1310580751 NJXXXONQJJBHRU-KRWDZBQOSA-N 421.519 1.480 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)Nc1ccc(Br)c(C#N)n1 1311071569 HCZPVEBVFOCQRI-SECBINFHSA-N 402.274 1.261 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1358936456 NXQKHIPXPPVZEF-GOSISDBHSA-N 402.543 1.533 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358961240 UYEGYIDLQRBIFP-OXQOHEQNSA-N 419.551 1.461 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1358963810 OKADGVNMPOJLGW-KRWDZBQOSA-N 418.567 1.470 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCN(CC)CC1 1359024112 FJZHNQYJZFEFML-PMACEKPBSA-N 418.586 1.632 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn(C3COC3)nn2)CC1 1359172706 FUTPUXAZPQAXCE-UHFFFAOYSA-N 400.487 1.030 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1359292848 ZBHZVRJZKWVIGA-OAHLLOKOSA-N 416.530 1.532 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1=O 1434979509 XMGWPPWGGTTZQT-UHFFFAOYSA-N 401.264 1.982 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3nc(C)cc(C)c3C#N)C2=O)cc1 1437554337 BXGCTKCIFSTCNN-OAQYLSRUSA-N 407.430 1.984 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C(=O)N(C)Cc2ccccc21 1437810911 BPSZHTRCPQOQBK-HXUWFJFHSA-N 402.458 1.980 30 10 HDEE Cc1cc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)nn1-c1cccc(C#N)c1 1440155479 NHVRLXOLEHLADQ-UHFFFAOYSA-N 414.487 1.472 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1440616349 WFPCCUGOVWQCTM-CQSZACIVSA-N 413.396 1.706 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc(Br)cn3ncnc23)CC1 1440763682 XOVVPCBGECPMDJ-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1455950760 OKTDOXBWKNFSEZ-IBGZPJMESA-N 405.476 1.371 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3cccc(Br)c3)C2)c(=O)nc1O 1457198481 ITAWZRHYFQEESW-UHFFFAOYSA-N 405.208 1.045 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O 1460203920 LIZVLUNXKYWHLL-CQSZACIVSA-N 400.391 1.278 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1460836493 NJJARZHCSSHWOK-HOTGVXAUSA-N 422.526 1.336 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C[C@H]3CCCOC3)C(=O)OC)cc2C1=O 1462132465 XDSJWLGMFRGVFX-DYVFJYSZSA-N 400.431 1.557 30 10 HDEE CCOC(=O)c1c(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)n[nH]c1C 1464200234 FSCZFESIJRHTGA-UHFFFAOYSA-N 417.491 1.714 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1464559313 JYMZBOJBKHWDGJ-FQEVSTJZSA-N 422.460 1.815 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCSC[C@H]1c1nn[nH]n1 1467284298 KWTDNZXOFBOMGX-OLZOCXBDSA-N 409.516 1.793 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@H]3CCCN(O)C3=O)on2)CC1 1468451535 AHXOOFMJVNDCSN-ZDUSSCGKSA-N 408.455 1.899 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 1471832290 BXIPKPZQIQECNI-VBKZILBWSA-N 420.872 1.460 30 10 HDEE C=C[C@H](O)C(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1472171786 CIKTXZPXBDRVPN-HNNXBMFYSA-N 413.515 1.850 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@H](c3nc(CC)no3)C2)c1 1472225375 AQBOOQBWHSWRMA-GJZGRUSLSA-N 402.476 1.610 30 10 HDEE CN(CCC(=O)Nc1cccc(S(N)(=O)=O)c1)C[C@@H](O)c1cccc(C#N)c1 1473620527 KJMWFQLSVZZJNU-GOSISDBHSA-N 402.476 1.200 30 10 HDEE COC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCOCC1 1473638116 PKWBBQTXKXTCGI-MSOLQXFVSA-N 406.552 1.488 30 10 HDEE C#Cc1ccc(S(=O)(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)cc1 1475431126 ZQAIWODIALFABH-MRXNPFEDSA-N 404.463 1.699 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2F)CCOC1 1502727947 FCQJXERRCVOCOH-JXFKEZNVSA-N 401.442 1.846 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(CC#N)CC1 1503406215 FPISKXIOLSWUCA-UHFFFAOYSA-N 402.524 1.967 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1504755912 LPNCGXBBBFZXPH-FGSXEWAUSA-N 424.505 1.319 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)OC 1507522333 VBUIFRQPVVVMEE-HUUCEWRRSA-N 405.524 1.688 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1sccc1C 1507616346 JJNKDTLLSSMORC-OAHLLOKOSA-N 423.564 1.293 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N(CC)CC)nc2)CC1 1507735480 ASNYRQHKNCSFHV-UHFFFAOYSA-N 409.538 1.842 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C(C)C)N2CCCC2)CC1 1507742793 QDPSHRUWDQPPRC-LJQANCHMSA-N 400.571 1.927 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1507850337 HQOYBQQXCRLNIV-UHFFFAOYSA-N 410.950 1.814 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1)C1CC1 1507989047 XGLQEOZHEJLSSE-SFTDATJTSA-N 405.543 1.540 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(=C)CC1 1508131624 NWTIJRJUIHYLJQ-UHFFFAOYSA-N 409.556 1.954 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1508155774 QUSKTQKYSDTMCU-UHFFFAOYSA-N 417.539 1.386 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1510215958 AJZGWNRNNVWUHG-VXGQWTEUSA-N 410.544 1.614 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCN(C)C1 1512938052 MPUCMFKMGGSDJP-QKKBWIMNSA-N 411.510 1.393 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)nn2C)c1 1516186616 ZKEAMORKRURNRU-KQWNVCNZSA-N 416.507 1.687 30 10 HDEE COCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1519079815 DFDBUCTUMOPWJI-RXVVDRJESA-N 418.542 1.532 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NC2CCN(CC#N)CC2)N(C(=O)OCc2ccccc2)C1 1521000516 AGYJJIZHFJUZAS-RTBURBONSA-N 400.479 1.517 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2cc(C)nn2C)c1 1539045295 BQSIOSHBNSQLLC-UHFFFAOYSA-N 421.505 1.961 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539215948 LTFUQGIEYDYXSI-MJGOQNOKSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCC1 1539249979 HKRVDRUEZURFQJ-UHFFFAOYSA-N 402.462 1.299 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(N)=O)c1 1539311955 DILHWPCFQFLBTI-UHFFFAOYSA-N 415.457 1.110 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COCCO1 1539945583 QXBOWDABAXDCGX-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(N)=O)C1 1540866838 CBRRHUWERPERCZ-OAHLLOKOSA-N 405.462 1.107 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CC2(S(C)(=O)=O)CC2)C1 1541990369 FMNNGUULIGJNNZ-IBGZPJMESA-N 414.535 1.971 30 10 HDEE N#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 1545142380 KXQXTBJAIOHKDX-AAEUAGOBSA-N 406.386 1.182 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2c(C)n[nH]c2C)s1 1545876734 ITMRQHXMPXHHBR-HNNXBMFYSA-N 424.548 1.695 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1547727317 CCHIVNPWEUVZPG-AZUAARDMSA-N 424.553 1.342 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)c1 1557618446 GEYUSMKTGVYSFB-SFHVURJKSA-N 420.512 1.550 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)ccc1F 1557853214 KKKHLWLPMGRLGB-NWDGAFQWSA-N 410.389 1.533 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc2c(cc1Cl)CCCC(=O)N2)C(=O)OC 1561512251 SBDKAPLANQIWFF-CQSZACIVSA-N 416.883 1.637 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)nn1 1563507569 GTDAPKWOBMXTQB-UHFFFAOYSA-N 406.512 1.494 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 1564417088 LXZTWKCVYUHBHM-CABCVRRESA-N 403.545 1.780 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)N(C)C 1587662947 RYJABTXDKYIRPG-QGZVFWFLSA-N 403.552 1.803 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587842945 XKBSHNDTNYWGMC-PXNSSMCTSA-N 422.537 1.137 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)NC(C)C 1588214248 NQXREYVJZSGHIN-UHFFFAOYSA-N 400.508 1.131 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC2)n1 1588723146 JOAKGEQTHMRVFM-IEBWSBKVSA-N 414.510 1.649 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589529229 MKMCTYBKOOYPPQ-IEBWSBKVSA-N 402.543 1.347 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(C)CCC2)CC1 1594097138 MOXBLYJSHAUNPZ-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1594591503 YQERCSJVISQYFZ-UHFFFAOYSA-N 421.509 1.979 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1595536734 GIJZXEVXHFNPHY-UHFFFAOYSA-N 401.902 1.833 30 10 HDEE C#CCC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCOCC1 1598176452 NEUDGWFFQKUVAU-INIZCTEOSA-N 408.495 1.915 30 10 HDEE C[C@@H](O)C[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1611299051 BRZCRWFTANNXSS-MLGOLLRUSA-N 408.296 1.755 30 10 HDEE CC1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCC2(CC1)OCCO2 1611680167 UREPZNIWTTUYIU-UHFFFAOYSA-N 407.492 1.276 30 10 HDEE Cc1ccoc1Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1611873710 JAYOOOXHTCDJIC-UHFFFAOYSA-N 421.461 1.901 30 10 HDEE CC(C)(C)n1nc(Br)c2c(=O)n(CC(=O)N[C@@](C)(C#N)C3CC3)cnc21 1614837942 WQNXKUKHNMOAQY-KRWDZBQOSA-N 421.299 1.919 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1617184033 AUBYGNVARQHRQD-QZTJIDSGSA-N 402.495 1.499 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(OC)c(I)n1)C1CCOCC1 1618321774 HTPFCPBYYRLRSO-LLVKDONJSA-N 400.216 1.853 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1scnc1C 1620025021 MTEVKBUQRMSQOP-CABCVRRESA-N 406.512 1.739 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1 1622579970 RXQXMMNIASSCNE-DNVCBOLYSA-N 407.492 1.502 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1623499271 WAGFDHLBCXBFGD-SFHVURJKSA-N 422.570 1.456 30 10 HDEE C=C(C)C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OC 1624255855 BBTCUCIKUOKWBA-HNNXBMFYSA-N 411.476 1.636 30 10 HDEE COC(=O)[C@@H](O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1624386239 KCGWETCIVKVKOZ-JKSUJKDBSA-N 403.435 1.043 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1626149835 IHTHQOIJLHSQHV-HNNXBMFYSA-N 404.471 1.687 30 10 HDEE O=C(NCC#CCO)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1626174687 XSFHVRJNVPDOLH-LLVKDONJSA-N 421.338 1.166 30 10 HDEE COc1cc([C@H](C#N)NC(=O)Cc2nc(C3CCOCC3)n[nH]2)cc(OC)c1OC 1627173820 IIFHIOOUHJJZGQ-AWEZNQCLSA-N 415.450 1.648 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C2CCC2)C1 1628782624 NTIHHMVUSJIRRV-HNENSFHCSA-N 418.494 1.903 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1C 1628796576 GVWRTZYZCFOHCO-QGZVFWFLSA-N 414.487 1.528 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1629543711 YBSMFVBVSSTAMI-HUUCEWRRSA-N 421.498 1.459 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2occc2NC(=O)OC(C)(C)C)CC1 1632623912 KSZXGTMPLYWBAH-UHFFFAOYSA-N 404.467 1.524 30 10 HDEE C=CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)[C@@H](C)COC 1632751691 FZSISWXEEDRJTR-YJBOKZPZSA-N 400.479 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCNS(C)(=O)=O 1633142481 ATFGKXFZOMUPBC-INIZCTEOSA-N 422.507 1.058 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)C1 1633634036 QLGHMKOYOORFOK-KGLIPLIRSA-N 421.339 1.670 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1634560150 UKRHDCPCLSXOAX-KRWDZBQOSA-N 401.308 1.971 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 1635494446 HORPGGBDPUSBOG-HNNXBMFYSA-N 408.501 1.394 30 10 HDEE C#CCN(CC(=O)N1CCCC[C@H]1COC(=O)N[C@H]1CCOC1)C(=O)OC(C)(C)C 1636105147 ZCLBKMODTSFYAS-IRXDYDNUSA-N 423.510 1.753 30 10 HDEE C=CCC[C@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1636822294 MUBOOFFEJNKJSG-AWEZNQCLSA-N 407.471 1.698 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nnc3ccc(C)cn23)ccc1F 1638371618 XRYWPBWOQLEQPL-UHFFFAOYSA-N 403.439 1.571 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 1638678537 LQEIQTJHXCQBEK-UHFFFAOYSA-N 413.337 1.988 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Oc3ccncc3)C2)s1 1639873847 HSRRKUGWRWSXQI-OAHLLOKOSA-N 407.517 1.830 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1640186907 RSLALAJSMATTQQ-PBHICJAKSA-N 410.923 1.745 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1641718579 FSHKDLZNFPWKJB-MSOLQXFVSA-N 424.542 1.523 30 10 HDEE CN1CCC(N(C[C@H]2C[C@H]3C=C[C@H]2C3)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1641792753 HPZLIQNRICRTRK-YESZJQIVSA-N 411.506 1.346 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC 1642684190 YJXZVLYRYFSKPP-IUODEOHRSA-N 413.883 1.416 30 10 HDEE COc1n[nH]c(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1Br 1643178528 GWQQHMUXFRWWEX-UHFFFAOYSA-N 413.253 1.606 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)c2cc(N3CCNC(=O)C3)ccn2)C(F)(F)F)c1 1644212963 BINARMHSXIFOHI-QGZVFWFLSA-N 403.364 1.923 30 10 HDEE C#CC[C@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1644470378 YRJJIVCPFAHWOR-KSZLIROESA-N 419.547 1.768 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 1644709270 HMFYRMCDUWILQY-LBPRGKRZSA-N 424.889 1.422 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1644948144 MQMNBGOILZAIBK-IBGZPJMESA-N 423.604 1.609 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCC(O)CC1 1648586363 KINAGCCKBMVSGJ-OAHLLOKOSA-N 412.533 1.196 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1652172839 JUAZCXFAERXSRL-GOSISDBHSA-N 418.519 1.660 30 10 HDEE COC(=O)[C@H](c1ccc(C#N)cc1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1654219901 PNPYHDIPGHEMHF-ZCNNSNEGSA-N 403.438 1.889 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCN2CCOCC2)CC2CC2)c1 1663296782 HWZBKXVXGXIRML-UHFFFAOYSA-N 407.536 1.335 30 10 HDEE C=CCN(C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC)[C@H]1CCS(=O)(=O)C1 1669850818 HLHHAJWUYPWGHO-NSHDSACASA-N 401.872 1.655 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC1 1671881000 ZQRPVRHWXUACEK-GHBBCFCZSA-N 413.522 1.884 30 10 HDEE C[C@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)N1CCN(C)CC1 1676865283 KDHUUECKKMCRGJ-QGZVFWFLSA-N 424.553 1.194 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 1680847708 BTKXCVNAQWHXSD-FUHWJXTLSA-N 408.499 1.257 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCn3c(CC4CC4)nnc3C2)[C@H](C#N)C1 1681226632 JHNFGFVFRCVPRS-HUUCEWRRSA-N 415.498 1.515 30 10 HDEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1682897950 ZXKGCKPFYOBZMD-CABCVRRESA-N 401.529 1.368 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1689910670 NJODFYMSXRKIPY-UHFFFAOYSA-N 409.450 1.418 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689993502 FQBBICQNNPWWKN-LPHOPBHVSA-N 422.576 1.718 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCNC(=O)OC(C)(C)C 1690104132 NLGXWLLZUXPJDC-INIZCTEOSA-N 407.515 1.783 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCN(CC)CC)CC1 1690142548 QDOOBIYACMEFNV-UHFFFAOYSA-N 411.554 1.971 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1690227629 CZUIADCOUQHCFC-GFCCVEGCSA-N 407.334 1.909 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690343862 GAUMAMOMXPXSAU-YOEHRIQHSA-N 400.932 1.940 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCn1cncn1 1690518857 XHHDAXWNHAGYRU-UHFFFAOYSA-N 416.511 1.109 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C)C1=O 1690623977 BJJGKUSKNKVMDZ-HXUWFJFHSA-N 401.515 1.257 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1690669161 WEQMQMSXXVCVSK-UHFFFAOYSA-N 424.431 1.112 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)C1 1690696467 CHRLYDSPBFCQHM-IRXDYDNUSA-N 416.526 1.413 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1692847911 JLTDXHIBRJLBBC-HZPDHXFCSA-N 407.540 1.737 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C3CC3)n2CCNS(=O)(=O)Cc2ccon2)C1 1692851540 FNZUBDWZCKLWHW-SFHVURJKSA-N 419.511 1.393 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccco1 1696335716 AMNZOEVHESKYEO-OAHLLOKOSA-N 408.466 1.833 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1696414054 LGOUXVNPXSDBKV-UHFFFAOYSA-N 407.482 1.734 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)C1CC1 1705551050 FOTWAQIUZYLGQN-IIBYNOLFSA-N 419.526 1.817 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705561412 TWWDIGHZANBDNJ-GOSISDBHSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1705566614 PPHFWWMGIDFSMW-HNNXBMFYSA-N 405.549 1.819 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705818751 ULPPRAHGKZFEHK-CQSZACIVSA-N 421.523 1.985 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)C1 1705922273 JNYUIQRMYQVNFF-HUUCEWRRSA-N 414.466 1.034 30 10 HDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(-n2cncn2)nc1 1710682796 GJWJAXOVSUOKMZ-UHFFFAOYSA-N 407.482 1.969 30 10 HDEE CCOCc1nnc(N2CCC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710696755 CUIWZCIXUXGYRD-ISLYRVAYSA-N 400.483 1.721 30 10 HDEE CCS(=O)(=O)NCCn1c(CCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1710903203 HWHHMNUBYWTXAN-LJQANCHMSA-N 420.514 1.445 30 10 HDEE CN(C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)C1CCCCC1 1710966353 AJPJAHJQLQCTRJ-QRWLVFNGSA-N 417.489 1.462 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1712151214 HKNCVNQPCGVUIZ-IAGOWNOFSA-N 419.507 1.101 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1712594112 XKDCHEWNMGIGOB-GOSISDBHSA-N 408.466 1.235 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCNS(C)(=O)=O 1722304513 YSBBALQDZQSPSA-OAHLLOKOSA-N 405.524 1.427 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722334066 SNSRHSSRSHAFMY-SJORKVTESA-N 409.556 1.699 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1722338476 ITRJUVHURACVHP-UHFFFAOYSA-N 400.527 1.557 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nccs1 1722389407 GLUMVPVAUSLICH-HNNXBMFYSA-N 420.564 1.441 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCO[C@H]1C 1722426357 AISSCVVCZGCGLY-KKSFZXQISA-N 418.469 1.622 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC2CC2)CC1 1722434710 YGKKEHDQNCSZNN-UHFFFAOYSA-N 413.547 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(C)no2)CC1 1722447653 LCLKYCQBPLUJLO-GOSISDBHSA-N 412.494 1.830 30 10 HDEE COCCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1=O 1730799985 GXBZHTPPZFSAFB-UHFFFAOYSA-N 412.494 1.819 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1740531441 LMYRQDGOORGZAQ-CQSZACIVSA-N 416.913 1.846 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1oc(CCC)nc1C)[C@H]1CCS(=O)(=O)C1 1740625110 MJVAOZRYYJCSAV-HNNXBMFYSA-N 405.524 1.764 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCN1CCOC[C@H]1C 1740644056 ZJRNTIXSOVYBEX-HXUWFJFHSA-N 407.518 1.693 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OC)C1 1740751473 KOQSWUGZAWFUMP-QXSJWSMHSA-N 413.544 1.095 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740958985 YDVMGAYFHAIPQD-SJORKVTESA-N 403.527 1.953 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1740996089 FZMMILIOCMYNRM-ZIAGYGMSSA-N 417.601 1.811 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1744749629 ANDIPMGOILSIIE-SJORKVTESA-N 421.505 1.446 30 10 HDEE CN(C)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1747558313 GOAVDDCXBOPPRC-ROUUACIJSA-N 407.478 1.889 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCOC1 1747622870 AERWSTBDEWKPPW-GOSISDBHSA-N 415.519 1.867 30 10 HDEE CN(CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1)CC(F)(F)F 1747949663 NZNKQERCMUVZFH-IYBDPMFKSA-N 422.411 1.872 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1ccnn1 1748651156 JPZRWEHIZJMSCW-HNNXBMFYSA-N 413.507 1.488 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1748751316 FVEODEUTQYYFQV-INIZCTEOSA-N 419.551 1.185 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748811290 DJHCEDRRHWDBPT-GOSISDBHSA-N 413.503 1.314 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ncccc2N(C)C)CC1 1748983772 CPPYUVLKKVKLJY-UHFFFAOYSA-N 404.522 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nnc(C)s2)CC1 1749018755 DWEIBYUMPZNOOI-OAHLLOKOSA-N 415.523 1.304 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749627116 DLTSTOLUVZQVBU-VQTJNVASSA-N 418.586 1.589 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1749680559 MMANRNINFJFXTL-INIZCTEOSA-N 400.414 1.027 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1750256002 DGBMAYIHKBJQAG-CJNGLKHVSA-N 412.585 1.914 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1750381090 IBOZMWTWVDMBPH-CABCVRRESA-N 402.405 1.553 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1750516912 ABTQCLMVXMJDBB-KBXCAEBGSA-N 413.519 1.827 30 10 HDEE CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1750596714 FCKZMEIZYSWVHV-KZNAEPCWSA-N 404.515 1.215 30 10 HDEE CC1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1752229752 SGBUFIBUDUSQQO-ZPHPHTNESA-N 408.466 1.498 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCS(=O)(=O)C2)c1 1760124863 CDRWTUUDZOCQLA-QGZVFWFLSA-N 415.519 1.468 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1760203569 IXFLIWKFFGAYLF-SFHVURJKSA-N 414.487 1.298 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1F 1760208415 CLBACEOTOUSUGA-UHFFFAOYSA-N 410.453 1.590 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCOC1 1760214413 NPJUIBDWXNPINN-JOCHJYFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760236528 YTTQRPOJVSSYAT-LJQANCHMSA-N 422.938 1.531 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CC=CCO2)CC1 1760261693 ANZUYXHVQNEURP-FQEVSTJZSA-N 407.518 1.978 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1760322694 WFNILMWUCFJRFL-RYRKJORJSA-N 424.567 1.777 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1767815385 KAKYHKOWSRDDST-UHFFFAOYSA-N 410.478 1.648 30 10 HDEE CCOCc1nnc(N2CC[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767829858 VSYOPXMAAPXXOY-MJWGMMHASA-N 400.483 1.577 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)C[C@H]1O 1767920753 VLVCORPIRSTVMP-CEXWTWQISA-N 423.473 1.870 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1768424433 PNABMVBOWHQUEA-IAGOWNOFSA-N 416.526 1.549 30 10 HDEE COC[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1770721326 CONCASMQPMPSKL-HUUCEWRRSA-N 420.539 1.679 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C/C=C\c2ccccc2)CCO1 1770749519 ZQYGKNFELVDOKI-WMJZJUHNSA-N 413.503 1.622 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1771268277 IKSOPMHAYMXAFT-JOCHJYFZSA-N 424.505 1.729 30 10 HDEE C=CCC1(S(=O)(=O)N2CCN(Cc3cnnn3-c3ccccc3F)CC2)CC1 1848479858 GTEANHJROZLISU-UHFFFAOYSA-N 405.499 1.963 30 10 HDEE O=C(c1cn(C[C@@H]2CCOC2)nn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851920738 BHRQIWIUIIEBND-JTQLQIEISA-N 409.390 1.189 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1852834541 HPHNIXKHPPBZKP-OAHLLOKOSA-N 416.478 1.506 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1=O 1853827814 GCQIOMKYMBNJGV-ROUUACIJSA-N 405.445 1.744 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)C1=O 1854196268 MLNXIWKRMGDEJP-CYBMUJFWSA-N 409.368 1.180 30 10 HDEE CC(C)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1=O 1854455581 VRZYETWMIKWWPH-KRWDZBQOSA-N 402.882 1.700 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1854873029 XCXAOKFHMZFRTR-SNVBAGLBSA-N 405.354 1.111 30 10 HDEE COc1ccc(O[C@@H](C)C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855097532 HJTQMEKCBHTPDQ-IRXDYDNUSA-N 400.479 1.121 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CN(C(=O)OC(C)(C)C)C2)CCN1Cc1ccc(C#N)cc1 1855638948 LFBCCEGCVSDGOW-OAHLLOKOSA-N 412.490 1.984 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@@H]4CCCO4)C(=O)C3)C2)s1 1856277922 CDXNODMGWPYSEP-CVEARBPZSA-N 402.520 1.434 30 10 HDEE CN1C[C@@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)CC1=O 1856347739 QCMAILVIRICUBQ-HNNXBMFYSA-N 416.909 1.947 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@@H]1CCN(C)C1=O 1857042869 GLCDELHZABZJHI-SJLPKXTDSA-N 418.563 1.868 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cc(F)c(F)cc3F)C2=O)C1 1857104800 XIECLZHRFMYNFZ-QGZVFWFLSA-N 416.359 1.875 30 10 HDEE COc1ccccc1CC(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857111888 MNIOUYYTHGWKLI-GOSISDBHSA-N 406.442 1.395 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccno4)C3)CC2)n1 1857116095 CRSGLFZUFATVBJ-INIZCTEOSA-N 409.446 1.721 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(F)cc(F)c3)C(C)(C)C2=O)CC1=O 1857347785 VKMISXRHNNDSAA-OAHLLOKOSA-N 405.445 1.949 30 10 HDEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1866361754 HPRVWASLRJKKHQ-QAPCUYQASA-N 423.473 1.823 30 10 HDEE Cc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 1870143846 FILPBGNVCJEFDC-UHFFFAOYSA-N 400.398 1.991 30 10 HDEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN1CCC(N(C)C)CC1 1870516535 LVYGTMGRDLKQRA-UHFFFAOYSA-N 404.555 1.855 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1=O 1873010081 GSSNUHLQFGGPAX-CQSZACIVSA-N 411.911 1.207 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCOCC)ncnc21 1875228176 DEMFTXCBJMZMQO-UHFFFAOYSA-N 414.510 1.793 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cnc(NN)c(Br)c2)CCN1Cc1ccccc1 1914892530 QJPZRROSVPEGPA-OAHLLOKOSA-N 415.295 1.980 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)CC(F)(F)C1 1965777896 SATMWJFIWJDFPR-UHFFFAOYSA-N 402.423 1.830 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N)C(=O)OC(C)(C)C 2162922308 PBLRPIUZRMGWAS-AREMUKBSSA-N 416.525 1.794 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@H]1NC(=O)OC(C)(C)C 2174787436 UCVQTSIAJBFMRL-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)CC1(C#N)CCCCC1 2181083695 QWPDYWPQLHABJL-HUUCEWRRSA-N 401.529 1.750 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2195308085 OVXUQXZWWJOFAU-YNEHKIRRSA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1ccc(C#N)cc1F)C(=O)O 2195346084 OHGIGTATNAMWBP-CQSZACIVSA-N 400.428 1.980 30 10 HDEE CC1(C)OB(c2ccc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)s2)OC1(C)C 2197935343 OVOXNTVDYFVDNR-LLVKDONJSA-N 400.331 1.034 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247816673 FLOQXTSJWKCBKP-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247837955 AIZMIGWRVPGNPV-KGLIPLIRSA-N 422.287 1.601 30 10 HDEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056827 SIQDDAQRYKOHPB-UHFFFAOYSA-N 418.303 1.587 30 10 HDEE CC1(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2248061127 MMHNEMSDEJNBML-UHFFFAOYSA-N 418.303 1.515 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCC2(C1)OCCO2 2267464776 JXUKUFFRSZSODO-UHFFFAOYSA-N 409.313 1.432 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H](O)C3)cc2Cl)OC1(C)C 2267706568 AVWYNILCIACMCP-SNVBAGLBSA-N 407.750 1.846 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@@H](N)C3)cc2Cl)OC1(C)C 2267710685 ZIXDIANCRZAERI-ZJUUUORDSA-N 406.766 1.859 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267728542 WTXINFODFPDLKU-JNDILOIQSA-N 407.388 1.435 30 10 HDEE CCN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](C)CS(C)(=O)=O 2282204441 JSLORHCTMJMURN-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](N)[C@@H](C)C1 2282327534 JTOHAOBJYROUPE-WCQYABFASA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@H](CN)CC2)OC1(C)C 2282488346 BYCQFJNDNXAFNK-JOCQHMNTSA-N 400.375 1.843 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282496152 WMYYTUXHAQPECJ-ZDUSSCGKSA-N 401.359 1.580 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCN1CCC1 2282833871 LTPGGHUFSBUMEZ-UHFFFAOYSA-N 400.375 1.730 30 10 HDEE C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282843834 SUINNBXMRQLUCX-OCCSQVGLSA-N 400.375 1.607 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@](C)(=O)N3CCCC3)c2)OC1(C)C 2282859027 HDOTXTJYIGXPTP-VWLOTQADSA-N 420.387 1.845 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 2284400955 CRBWUHWFHJXKIT-NSHDSACASA-N 401.315 1.451 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC(=O)O 2284403567 RASITHRLWXAPKD-LLVKDONJSA-N 403.331 1.827 30 10 HDEE COC[C@@](C)(NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284432533 ANCGIDORWFRVIJ-MRXNPFEDSA-N 403.693 1.920 30 10 HDEE C=CCN1C(=O)C(=Cc2c(NC[C@@H](C)O)nc3ccccn3c2=O)SC1=S 2296720306 MZLAWANMCHFUGO-LLVKDONJSA-N 402.501 1.874 30 10 HDEE CC[C@@H](C#N)N1CCN(C(=O)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)CC1 2360616574 VPYBMOIZOSDWNG-GJZGRUSLSA-N 400.460 1.949 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207578 PPHUMCFMVFEJGE-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2367048295 JVPXPZVFMLEYQZ-ZJIFWQFVSA-N 402.557 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367811347 HFBANHYVKHLRTE-RVKKMQEKSA-N 400.541 1.435 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 2373546392 JZWIJSWDXRKOKK-GOSISDBHSA-N 402.513 1.564 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1O 21316507 QAABTFAKAIBXKW-KEBDBYFISA-N 413.463 1.883 30 10 HDEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 33538978 JRCQAYVJSIKBBR-PXDRNWIDSA-N 409.442 1.985 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2cnc3c(oc4ccccc43)c2=O)CC1 96991942 HKXWMVUOVYWYQH-UHFFFAOYSA-N 414.425 1.758 30 10 HDEE COc1cccc(CN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 254484406 OGQINTPIGCDVSF-KBPBESRZSA-N 412.489 1.157 30 10 HDEE Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nn2)n1 301344477 RXEZLUYNSWHHBY-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE C[C@@H](C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)n1cnc(C#N)n1 410092889 DHDNGOGLOQZQPL-AWEZNQCLSA-N 404.430 1.556 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)cc1 439754476 DXFPOXOTNMKBQK-UHFFFAOYSA-N 417.469 1.578 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nn(C)cc1C#N 446104488 KTQOXQRQUHQLQS-SNVBAGLBSA-N 411.281 2.103 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 446336682 KFESDIGUYRBVJX-OFDAHSHWSA-N 407.470 1.885 30 10 HDEE CN(C)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)Cc2ccccc2C1 466016214 KSWHVAVRGOZOMD-UHFFFAOYSA-N 404.518 1.884 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)c([N+](=O)[O-])c1 474282292 BJTQKNQGGYVDRI-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE COC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 482496009 QXWKVSCDDGNYTC-ACJLOTCBSA-N 405.451 1.868 30 10 HDEE Cn1cc([C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C(F)(F)F)cn1 487745134 WPHNGEVHFMIMIS-OAHLLOKOSA-N 400.382 1.626 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 504189903 YKODLDLLTPYNJP-CQSZACIVSA-N 418.500 1.501 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 508841862 UUERLVQWNKPFOK-MRXNPFEDSA-N 423.521 1.535 30 10 HDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(CC(=O)OC)CC1 508997256 QNIFXBNFVSKOCX-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE Cc1nnc(NC(=O)C[S@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 526887822 ZYHUQHAYEMLUJB-AREMUKBSSA-N 409.518 1.594 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CC1 534833946 KMQGWXLKULCIBV-KRWDZBQOSA-N 409.538 1.633 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 542153006 BKAWOTIFLHGEML-JLTOFOAXSA-N 403.483 1.289 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccnc(OC(F)F)c1 560121697 WRLWLHCMGFIDPC-LBPRGKRZSA-N 403.393 1.765 30 10 HDEE COc1cc(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)ccc1C#N 563275975 ZNSWRDIYBJPEFZ-HXUWFJFHSA-N 413.455 1.938 30 10 HDEE C=CCNC(=O)c1ccccc1NCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 564595536 LZOXRDXTYFTPNM-INIZCTEOSA-N 407.536 1.686 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CCOCC2)c(F)c1 585691735 SIIHYMWZHJDOFZ-UHFFFAOYSA-N 410.449 1.462 30 10 HDEE N#C[C@]1(F)CCN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)C1 589461366 KSRSDBRFRKODJU-QFJUTQFFSA-N 419.456 1.930 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 604436032 YIIWURCVYGATQA-OAHLLOKOSA-N 412.446 1.714 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2Cc3ccccc3C2=O)CC1 609264994 GUGBZLFOMVQJND-UHFFFAOYSA-N 424.482 1.047 30 10 HDEE CN(C)Cc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1F 609664454 YQYHQNFEAGLFTP-UHFFFAOYSA-N 403.479 1.990 30 10 HDEE Cc1cc(NC(=O)C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)n(CCC#N)n1 610952337 XRYNYESFJGGVDX-KRWDZBQOSA-N 405.462 1.877 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCNC(=O)C[C@@H]2C)cnn1-c1cccc(C#N)c1 615507920 BUNVZJRERASKQN-AWEZNQCLSA-N 408.462 1.372 30 10 HDEE Cc1noc(CCNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 726271683 YBWHPHYYGQOPAY-PXLXIMEGSA-N 406.468 1.555 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 729808346 AQZQQEQHLHYXBS-TVFCKZIOSA-N 406.548 1.924 30 10 HDEE C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(OCC(=O)NC2CC2)cc1 732699964 HGHYHSJGIYNFBW-HNAYVOBHSA-N 411.506 1.787 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccccc2S(C)(=O)=O)c1 749156534 BIPWPIAFZKXFAJ-UHFFFAOYSA-N 406.485 1.013 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N(CCC#N)Cc1cccnc1 755188384 JOJNGYDXEJVBOV-KRWDZBQOSA-N 415.494 1.840 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 758449374 HGRPCXPGVBERSK-UHFFFAOYSA-N 415.515 1.062 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760777886 HMQLZMQUKUXHMV-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE C#CCN(C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 774156744 PGWAQJRPSPNHBT-WOJBJXKFSA-N 419.547 1.200 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCCNc1ncccc1C#N 777308470 WDRFZUBVHPCPQB-OAHLLOKOSA-N 417.466 1.424 30 10 HDEE COC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 781537267 LTRPFXKNXCFOLX-UHFFFAOYSA-N 403.341 1.887 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 783957371 KFHSQRMYAOJHNK-UHFFFAOYSA-N 422.535 1.908 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@](C)(c3ccc(F)cc3)C2)c1=O 794891803 IXZIYJWDVIFRAP-NRFANRHFSA-N 400.454 1.304 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796426107 WEMBEMUBSLLTDA-MAUKXSAKSA-N 403.483 1.414 30 10 HDEE C[C@H](C(=O)OCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)n1cnc(C#N)n1 798740888 DQURVTKKPOEHII-CQSZACIVSA-N 416.869 1.252 30 10 HDEE COCCn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802475744 NJGFJFBNKJESER-KRWDZBQOSA-N 412.494 1.689 30 10 HDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2F)n1 807933410 ATDWVBLZEFAGRE-HNNXBMFYSA-N 420.445 1.894 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 809897144 XNBRIZOWVTUQLO-HNNXBMFYSA-N 422.530 1.733 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)N2CCCC2)C1 916869844 VJACZAXSVXLIIS-GJZGRUSLSA-N 408.480 1.023 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccncc3)n2)o1 1083999029 LAEZJWCOCDPWMZ-UHFFFAOYSA-N 401.456 1.561 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1127028113 LLHDYHOQXWFYSC-UHFFFAOYSA-N 416.503 1.277 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)Nc2cnn(CC#N)c2)cc1 1136435169 AGZGMBQYOOHXOP-AEFFLSMTSA-N 417.491 1.293 30 10 HDEE C[C@@H](CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1)NC(N)=O 1136704206 OPKZUMGCJAGXPC-WFASDCNBSA-N 408.300 1.605 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1153262966 UKWVFNNDJQRCRD-UHFFFAOYSA-N 424.519 1.139 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Cc3nc(C)no3)C2)s1 1179389971 YIDFAKVXJIEQGS-CQSZACIVSA-N 424.548 1.928 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(c2ncc(C#N)cc2Br)CC1 1186387270 CGWNUUSXRCIMKG-UHFFFAOYSA-N 416.297 1.662 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 1187438418 VWUACBHHPKMNIN-UHFFFAOYSA-N 412.519 1.074 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)C[C@@H]2COc3ccccc3O2)C1 1189040102 GDSSYMAYIKVKDQ-KKUMJFAQSA-N 423.491 1.505 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1197768717 IMKMVWQOKGAUHJ-HSZRJFAPSA-N 418.582 1.877 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCN2C[C@@H]3CCCCN3C2=O)C1 1225939392 ZLULTPINZGXUDF-HRCADAONSA-N 420.514 1.335 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3CCSC3)CC2)cc1 1234569715 KDXFYBSCINOSBS-MRXNPFEDSA-N 408.549 1.717 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1251169725 OVYRNFWSOZEODI-IKGGRYGDSA-N 422.526 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccc(S(N)(=O)=O)cc1C#N)CCO2 1261233289 MUURKZJGCYPZII-UHFFFAOYSA-N 408.480 1.032 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1286276656 YCZLDJKGCGBIJF-YESZJQIVSA-N 410.588 1.467 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCOC)c1 1286310291 SHBLILDLJZPPKG-KRWDZBQOSA-N 410.478 1.322 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN(CC)S(C)(=O)=O 1286430009 FPJBSHWLHDGLGA-SFHVURJKSA-N 421.567 1.307 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1286500560 VUWKQSKLYHYJHI-HDICACEKSA-N 416.503 1.890 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1COCCO1 1286718240 CEUNJSPNJIOFGA-MRXNPFEDSA-N 421.523 1.233 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCCc2ccc(OC)c(OC)c2)CC1 1292889710 LDIGHLAAQYRHIU-UHFFFAOYSA-N 401.507 1.310 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1296136936 LVXHALSRSSCQOW-MRXNPFEDSA-N 411.466 1.629 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(=O)NC)c1 1296989332 ADUNOGYERRCMTN-INIZCTEOSA-N 416.478 1.408 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300268629 UJDSVWKLBGRBNQ-ZACQAIPSSA-N 404.559 1.762 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1300477452 JKSMYKAKCHIAAG-GOSISDBHSA-N 419.547 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1Cc1nnnn1CC1CC1 1300548776 PBHUNOKEEVSBHB-UHFFFAOYSA-N 416.489 1.683 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1300631899 XXCJSMQUPDMZNL-SNVBAGLBSA-N 411.272 1.627 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCn1c(O)nc2ccccc21 1300671474 JNUOVGGTBFTDKP-MRXNPFEDSA-N 410.478 1.624 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@]1(OCC)CCOC1 1301055140 FIXKXTTVHNXOSW-YOEHRIQHSA-N 420.963 1.942 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1301397125 NPOABBLBOYHFAA-UHFFFAOYSA-N 419.555 1.354 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C2CC2)C1 1301510614 ZDOMBHBVSKILNO-OAHLLOKOSA-N 414.535 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301520366 FKZOAXSGVQFTKM-DYESRHJHSA-N 415.469 1.669 30 10 HDEE C=CCCONC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1301633215 QDRBRKMRDCNIFG-UHFFFAOYSA-N 419.297 1.708 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1301966586 WBENZBQPRQCUOW-MCIONIFRSA-N 405.503 1.738 30 10 HDEE COc1cc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1302149934 RITBWEPOHNURLT-UHFFFAOYSA-N 402.476 1.268 30 10 HDEE Cc1cc(O)nc(N2CCC[C@@H](NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1303596839 DXQQDSWXJAKHBS-DLBZAZTESA-N 420.473 1.500 30 10 HDEE CN(CCc1ccc2c(c1)OCO2)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1303699511 XSYNBSZLCQNDLJ-UHFFFAOYSA-N 400.456 1.903 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)CCO1 1304193020 MGSQXDMDOSGUGC-GOSISDBHSA-N 405.501 1.981 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1304638612 IKCQGJVLXAQBEO-OAHLLOKOSA-N 406.446 1.941 30 10 HDEE C=C[C@H](CO)NC(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1313088529 XCLLEWMNWKZBPI-OAHLLOKOSA-N 416.482 1.638 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cc1 1316298112 SRNYSWINXKORHI-SZMVWBNQSA-N 401.442 1.918 30 10 HDEE CO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316319445 VTJZJXPOHZHHRN-DVSFIDLUSA-N 423.477 1.015 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1316357044 RZTAGWAIPPVCDZ-UHFFFAOYSA-N 410.450 1.601 30 10 HDEE CSCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316456943 HXZODSVPSUKMDR-DLBZAZTESA-N 417.583 1.939 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1nnc2ccc(C(F)(F)F)cn12 1330269387 CGWWRHDACXOISL-NXVVXOECSA-N 408.340 1.281 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1352235123 YVAAIFDBQZIAIQ-UHFFFAOYSA-N 414.376 1.564 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)NC(=O)COC(C)(C)C 1356278234 PTXLSGILHSXQNT-AWEZNQCLSA-N 402.499 1.095 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1C 1358985127 PXHHAPMFFCPHPY-ULQDDVLXSA-N 407.540 1.024 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2(OC)CCC2)CC1 1359044586 JRQRGEUDEQTAMD-GOSISDBHSA-N 415.538 1.707 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCCN(C)C)CC1 1359179431 VEXHJXWFMBBJTR-QGZVFWFLSA-N 411.572 1.161 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1359230600 ZDIBEODZXONFEU-UHFFFAOYSA-N 405.462 1.956 30 10 HDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359247664 LFAPHGRNELFBRD-HXUWFJFHSA-N 413.503 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359332616 BWRAAVOAAKTSFA-AWEZNQCLSA-N 420.601 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cnccn1 1359334291 ZPNAGCCXWLSETG-UHFFFAOYSA-N 413.507 1.291 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)o1 1361208981 ITHVLKIATWAMCX-HNNXBMFYSA-N 401.448 1.983 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Cc2c(C)cc(C#N)cc2C)C1 1436121072 TYNDPTCKGVGQDD-SFHVURJKSA-N 407.536 1.617 30 10 HDEE Cc1c(C#N)c(NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)nn1C 1437100889 YKCTWAOKOZMYOM-SECBINFHSA-N 416.235 1.986 30 10 HDEE N#Cc1cccnc1NCCNC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1442339377 VWHXXLANYWHHHI-UHFFFAOYSA-N 401.430 1.323 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(CC(=O)N3CCC(N(C)C)CC3)CC2)nn1 1444562005 FJKJRVUOBTXDSM-UHFFFAOYSA-N 402.543 1.649 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 1445833946 RGJODAPJIZUSJY-GDBMZVCRSA-N 420.462 1.578 30 10 HDEE C#CC[C@H](COC)NC(=O)c1c[nH]c2ccc(I)cc2c1=O 1454357205 XCDDSRHFEFMKCP-LLVKDONJSA-N 410.211 1.901 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2ncccn2)C1 1455864558 GEFFRTXGRQNULB-HNNXBMFYSA-N 413.503 1.702 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)o1 1457201758 QJCPPGRKUBWRHE-FNORWQNLSA-N 412.402 1.466 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1461816614 SZQJDCDIEXUCTM-OAHLLOKOSA-N 422.503 1.210 30 10 HDEE Cn1cc([C@]2(CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CCCO2)cn1 1463253158 PMGDAAMYXZDDOW-LJQANCHMSA-N 417.491 1.048 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccc(F)cc1 1468327353 ALXIAOBCNUOZSH-MRXNPFEDSA-N 423.853 1.347 30 10 HDEE C=CCC[C@H](CO)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1468751841 XEUMEACISOSLOF-QGZVFWFLSA-N 405.495 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2nc3c(s2)COCC3)C1 1469730463 MJAJWROMARRRLU-AAEUAGOBSA-N 407.496 1.774 30 10 HDEE Cc1c(S(=O)(=O)N2CCN(CC(=O)N(C)C)CC2)sc2ccc(C#N)cc12 1474789833 CAEPLEWJJDDXAP-UHFFFAOYSA-N 406.533 1.476 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1ccc(F)cc1Br)C(=O)OC 1475239988 IVGSJDKXCVFQSC-ZDUSSCGKSA-N 410.261 1.752 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2nc(C)sc2-c2ccccc2)CC1 1475407069 CACAPISMTDSYEK-UHFFFAOYSA-N 418.544 1.174 30 10 HDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1478475796 GCPFWQXFNKRASH-JLJREYHVSA-N 401.511 1.740 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](F)(C#N)C1 1502368099 AVTSCTSVTWAGGX-FQEVSTJZSA-N 421.521 1.801 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)(C)C)n1Cc1nnn(C)n1 1504873374 GGJQOSADWXBOIC-UHFFFAOYSA-N 423.525 1.963 30 10 HDEE CSCCCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1505251261 FENXNXIRDISMID-GFCCVEGCSA-N 412.541 1.591 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1505325586 IRHNFFHWIGARES-LSDHHAIUSA-N 401.471 1.248 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1507513619 AURHXAGKQVIIRM-OLZOCXBDSA-N 408.553 1.511 30 10 HDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 1507593691 UHPQRTQERVKNQF-LJQANCHMSA-N 406.490 1.646 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507623689 VRYKIGQGBCFNRY-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507625176 HTXKXHNQAITPBQ-INIZCTEOSA-N 422.938 1.996 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1507712467 ZMIRIHQFBCBJHT-NRFANRHFSA-N 419.476 1.300 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCN(C)C1 1507713760 WJCSDCOIKUEJFD-QFIPXVFZSA-N 413.522 1.318 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1507772913 OBDHCTALRRQFPJ-FZKQIMNGSA-N 420.564 1.635 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCNS(C)(=O)=O)C1 1508127295 MAKBSKKDVJLXDD-HNNXBMFYSA-N 411.553 1.261 30 10 HDEE CC[S@@](=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516873685 BZIBNJISARIQLV-JYRCXFKTSA-N 418.592 1.876 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N[C@@](C)(C#N)CCc3ccccc3)CC2=O)cn1 1518037962 YXTZIOYRJNBIQN-PGRDOPGGSA-N 409.490 1.914 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1)OC 1518718936 AQWHWFJUNTYLQM-OKZBNKHCSA-N 401.467 1.328 30 10 HDEE COC(=O)C[C@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1527791806 BSKHJXUHFBGRIZ-ZFWWWQNUSA-N 405.838 1.355 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1535921992 DGLVSTCZHNRZAU-UXHICEINSA-N 407.467 1.117 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2F)n1 1537006484 UUZAXVDGBUMUBU-HNAYVOBHSA-N 402.451 1.639 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)CC 1539409116 OQOUDGDGXWIVBV-UHFFFAOYSA-N 421.505 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC(O)CC2)C1 1540892885 SPCFKCCCNUXFAK-PKOBYXMFSA-N 405.543 1.410 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1541111160 GFEMWIWXOMIBHN-HNNXBMFYSA-N 424.484 1.772 30 10 HDEE C#CCN(CC(=O)N(C)CC(=O)N1CCC(C(=O)OCC)CC1)C(=O)OC(C)(C)C 1542715467 LLZGWXIUOIXFNS-UHFFFAOYSA-N 423.510 1.117 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)Cc2c(C)cc(C#N)cc2C)cc1 1544327403 DFSHNNKTGJOQOJ-UHFFFAOYSA-N 415.515 1.959 30 10 HDEE C=CCCn1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)nn1 1544332195 ZIFUPNULDVYOOO-UHFFFAOYSA-N 403.508 1.685 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1546549052 FLOAYDZBWFPUHR-LJQANCHMSA-N 422.493 1.464 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(CC(F)F)CC2)n1Cc1ccc(C#N)o1 1555670940 ZOLAQFJHZJAETB-CQSZACIVSA-N 424.452 1.902 30 10 HDEE COCCOCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555723836 FQPHCYZNKDUZKI-UHFFFAOYSA-N 411.510 1.487 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1cc(F)cc(OC)c1)c1cc[nH]n1 1556988686 PWGRFVPBGDASJZ-GFCCVEGCSA-N 406.414 1.589 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F)C(=O)OCC 1557934847 PXGHBGOOWITMPW-LLVKDONJSA-N 413.254 1.931 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2cccc(Br)c2)CC1 1558075221 PYTVNMDPIDSNIA-ZDUSSCGKSA-N 414.325 1.164 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2nc(C)cc(O)n2)C1 1558349515 IUPMPIDZBJHIBA-LSDHHAIUSA-N 403.483 1.492 30 10 HDEE CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 1558670311 YICFZRMAKZELKI-LSDHHAIUSA-N 417.491 1.808 30 10 HDEE C#CCCN(CCOC)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1563813491 SUEACCSBCJGSGP-UHFFFAOYSA-N 407.536 1.769 30 10 HDEE COC[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1564547969 ZJBPLVDVLVMXPJ-RBUKOAKNSA-N 400.479 1.794 30 10 HDEE N#Cc1ccc(C2(NC(=O)NCC(=O)NCC(=O)NCc3ccccc3)CCC2)cc1 1565331390 FZWXURNJCMBENX-UHFFFAOYSA-N 419.485 1.669 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1569382288 ONAIXLOGXIUYFL-SFHVURJKSA-N 419.352 1.943 30 10 HDEE C[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C(=O)OC(C)(C)C 1570510202 FPDPXDVOHXAGRA-KDOFPFPSSA-N 421.519 1.805 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1c(C#N)c(C)nn1C 1586990772 DMLMSLZYMYRFLU-UHFFFAOYSA-N 403.464 1.182 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1587988914 DRJMSCKXHCUMCN-INIZCTEOSA-N 418.519 1.705 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1csc(COC)n1 1588128783 SLNCFGBYFJQFAT-UHFFFAOYSA-N 424.486 1.730 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc(CC)s2)CC1 1588750524 DVUIODUKROVZLJ-HNNXBMFYSA-N 419.555 1.220 30 10 HDEE C#CCC1(O)CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1588764636 BJAPKJMXERBKMT-UHFFFAOYSA-N 407.488 1.389 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)CC1 1588806461 RKVAEXCHZKTFAK-GOSISDBHSA-N 423.521 1.217 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1589207768 QGVRRWHHMVGIHA-FUHIMQAGSA-N 406.552 1.989 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1C(=O)NC(C)C 1595603060 WPCHKYNYEVLIEN-LBPRGKRZSA-N 408.413 1.239 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)(C)C)C1 1595665383 SXXCAIYKJJQQEM-MRXNPFEDSA-N 418.542 1.458 30 10 HDEE CC(C)=CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1597894673 YHXOVUPRLLXNOT-AEFFLSMTSA-N 418.567 1.713 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC)C(C)C 1611026838 WUUZIHTVEFNDHB-UHFFFAOYSA-N 410.492 1.209 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccn1CCN1CCOCC1 1611117960 HWQZAQVXHLBIIT-UHFFFAOYSA-N 405.462 1.833 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1611314488 KKNIOHJILRTMGL-LJQANCHMSA-N 423.565 1.906 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCCO1 1612912022 UUHUSAJXDXYPQU-OAHLLOKOSA-N 418.523 1.371 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCC)C(=O)C2(C)C)s1 1617074508 NRWAIFNIWUSDEI-UHFFFAOYSA-N 413.565 1.614 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nnc(C)s1 1619989213 DAUZQFJKVDHORZ-SJKOYZFVSA-N 409.491 1.847 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)cc1 1621657519 ZODWRWNIMKMJOO-UHFFFAOYSA-N 402.472 1.670 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1622216878 CFSJCPBNCMOHAN-CQSZACIVSA-N 411.480 1.481 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1623669259 LTKNOPZXTAAOGS-VQIMIIECSA-N 420.391 1.413 30 10 HDEE C#CCOc1ccccc1NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1623835547 TZSRUXAPULOJHN-BIWSTMPVSA-N 405.476 1.031 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1cc2ccccc2n1CC#N)C1CCCC1 1626234580 CORGNBOKOQUSHL-KRWDZBQOSA-N 417.535 1.849 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1626502805 HXIDKKQSVKBOPQ-NRFANRHFSA-N 415.494 1.364 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1cncc(Cl)c1 1627340385 MJDIIUSJQUFKGE-LBPRGKRZSA-N 408.867 1.469 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628903467 HMFNUWCTLVBPIV-OALUTQOASA-N 410.449 1.672 30 10 HDEE CCN1CCN(CC(C)(C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1630153718 HQICQFHDIYDJAM-UHFFFAOYSA-N 406.552 1.005 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 1633499457 ZVPWPTPLCQGIEF-UHFFFAOYSA-N 424.486 1.514 30 10 HDEE CC(C)c1ccc(-n2cc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1635698867 XYYFINUVOVZKCX-YWZLYKJASA-N 414.487 1.712 30 10 HDEE CN1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC12CCCCC2 1637067580 CQNASFQHJMDZEX-UHFFFAOYSA-N 404.536 1.592 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NCCO)cc2)c1 1637719882 AUHBECZFFBXHSD-UHFFFAOYSA-N 400.456 1.458 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccnc(-c3ccccn3)n2)CC1 1638007149 FZPXWWLGOQUVBD-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE C[C@H](Sc1nc(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cs1)C(N)=O 1639961537 DKNGWPDWTNATTL-NHYWBVRUSA-N 404.517 1.715 30 10 HDEE CC[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1C(=O)OC(C)(C)C 1640636711 MBOMUIWTISLHEB-FQEVSTJZSA-N 417.466 1.384 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1C#N 1641124977 ZRFFNNAWSKGOIN-LBPRGKRZSA-N 400.430 1.920 30 10 HDEE Cc1nc(SCC(C)C)sc1CC(=O)NCCn1cc(C#N)c(O)nc1=O 1641970270 FDKMBVHYGXBBKI-UHFFFAOYSA-N 407.521 1.693 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CC)(N3CCOCC3)CC2)c1 1643038623 FLJWHBIYGDQVSF-UHFFFAOYSA-N 419.547 1.315 30 10 HDEE COC(=O)[C@H]1CN(C)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C1 1643453424 GZJVVHAWDWQNEL-SFHVURJKSA-N 423.517 1.941 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)C1 1643499180 OPVJZICQYUXGLK-JOCHJYFZSA-N 403.442 1.831 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1[C@H]1CCCO1 1644016512 XDKFPXZDERMGAC-WCXIOVBPSA-N 405.520 1.824 30 10 HDEE CCN1C[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1644530593 WXMIVHRDDFNGRN-HNNXBMFYSA-N 420.535 1.270 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1645267289 BWIURIMVSUJRHK-PNPHSEOMSA-N 407.879 1.090 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CCO 1646010670 BEYODXHVNRPFQQ-STQMWFEESA-N 410.920 1.030 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CCO)[C@@H](CO)C2)n(-c2cccc(F)c2)c1C 1648637568 AFXVWJGZKZUGRM-IAGOWNOFSA-N 414.481 1.966 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)C1 1651801919 NHGYPXGLARQPQE-ZIAGYGMSSA-N 415.968 1.768 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F 1653186141 JTPIJPMUPBUKPV-JKOKRWQUSA-N 405.398 1.309 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1653628130 CNGJYLYTMWWVIS-MOPGFXCFSA-N 407.536 1.069 30 10 HDEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1657321178 SCFSSRAYDKFGMD-UXHICEINSA-N 415.534 1.978 30 10 HDEE CCOC(=O)[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C(F)(F)F 1660037890 LYOVPWZRNGRJPA-HZPDHXFCSA-N 408.376 1.959 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](C1CC1)[C@@]1(CO)CCCO1 1663558114 CWDSQPYYEUMOEN-CVEARBPZSA-N 415.309 1.919 30 10 HDEE Cc1ccc(C[C@H](CO)CNS(=O)(=O)N(C)[C@@H](C)CC#N)cc1Br 1669271839 CVTLWDFAOYKEOW-ZFWWWQNUSA-N 418.357 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 1672443769 WRQPFXMZMDIYGC-SJLPKXTDSA-N 408.499 1.257 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686035999 MONQSFHGVUPGQS-BOLBYERCSA-N 402.520 1.087 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)nc1 1687213409 CVAUCOMKSBQDNG-SJLPKXTDSA-N 412.494 1.319 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1689928504 POIVLBYBAJQAFG-FUHWJXTLSA-N 400.527 1.332 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1689945560 GAJMPKCWMVWNHP-CVEARBPZSA-N 420.539 1.388 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCCn1cc(CO)nn1 1690004648 AKILPEUVIGLYNN-UHFFFAOYSA-N 405.462 1.201 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1690058792 BGAJYCJTFLFUIL-AWEZNQCLSA-N 415.523 1.467 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1690073977 NOYQHVGPRHGKTF-UHFFFAOYSA-N 422.489 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCOC[C@H]2C)CC1 1690153998 GSFVZJMNLYYATG-BHIYHBOVSA-N 415.538 1.768 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2oncc2C1 1690236560 OLDJRRHUOJYGNT-RHSMWYFYSA-N 400.483 1.948 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690244129 UAKDLSJIYLNDRB-RYRKJORJSA-N 417.535 1.945 30 10 HDEE C=CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690451459 HGECZLVVOIJTHH-MRXNPFEDSA-N 401.519 1.483 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690598860 CIGKWMBNWQZPLD-QGZVFWFLSA-N 416.551 1.724 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCCS1(=O)=O 1690609378 MHGIOFQMBHFDPP-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1690678172 NJAQAGGPRDDUQI-HPFXQQBRSA-N 407.515 1.166 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCOC2)CCOC1 1692584183 UPDUNKMSYKQTDW-LEWJYISDSA-N 419.526 1.600 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1696085173 CTFUSFHNTIIMNE-FXAWDEMLSA-N 406.531 1.389 30 10 HDEE CCOCc1nnc(N2C[C@H](C)O[C@@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696271114 RQMXMKLCTRGQDK-PSEQUABUSA-N 418.498 1.345 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698283089 CAQUMQHVQXETNR-STGLLQLASA-N 412.450 1.598 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1698493693 PACUDGDBTHVHOF-KSZLIROESA-N 417.897 1.791 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1705542829 PCUZDQLZOZYLKL-AWEZNQCLSA-N 411.441 1.780 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCO2)CC1 1705647589 HHIKEBXXMBJJSI-QZTJIDSGSA-N 401.511 1.665 30 10 HDEE C=CCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705812201 SUGKRFYYYTWSHH-OALUTQOASA-N 422.533 1.933 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705903852 WOPMGHBJLPMUEW-AWEZNQCLSA-N 407.496 1.162 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705904282 LHZTZVPHGPFUID-KRWDZBQOSA-N 402.543 1.521 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705915948 MOHNIKMRVQIROI-BRWVUGGUSA-N 411.572 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@@H]1CCCCO1 1705936948 CILDKGUUSJRTLO-SFHVURJKSA-N 419.551 1.870 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1706633290 ACDJLSDFXFIIEI-OAHLLOKOSA-N 409.494 1.398 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1708234069 GUUABTQLXHEKLN-INIZCTEOSA-N 413.478 1.495 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNS(=O)(=O)CC 1708531654 FROYCVGGQKKHGM-NVXWUHKLSA-N 423.587 1.298 30 10 HDEE CO[C@]1(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1711632740 IWCDUIUVNLZGSY-UXPWSPDFSA-N 407.515 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1722302388 HVKRZDRSZMDAKA-HNNXBMFYSA-N 401.442 1.313 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C)nn2C)CC1 1722438797 CFVAMZRTKSMSHA-UHFFFAOYSA-N 419.533 1.723 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C/C=C/CC)CC1 1722452289 CYOOJPMHUPDEGW-FNYRVFDFSA-N 415.538 1.934 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722599174 CVOUFCQEISWKMH-DYESRHJHSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722697290 ZEHLOWZMEFLSPY-MRXNPFEDSA-N 409.450 1.517 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CCO1 1722846029 POCPGOPTPNGABA-GOSISDBHSA-N 407.434 1.194 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCO[C@H]1C 1730760867 CXBVCYORLQDDMW-OXJNMPFZSA-N 400.483 1.555 30 10 HDEE COCCOCCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1730918114 DVSRTBDRMYSDPD-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740581001 MWKGKYBIVBYLCH-UHFFFAOYSA-N 414.554 1.755 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1740587381 ICGZBUCMPJLGGX-UHFFFAOYSA-N 417.539 1.224 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 1740590805 JVAIIJLPLJNFSG-KRWDZBQOSA-N 421.523 1.562 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1740628852 VLIWNHUQJQLZDJ-SJORKVTESA-N 422.551 1.258 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1740671415 GVUVFYZLSNZJLN-MRXNPFEDSA-N 409.556 1.288 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCSC2(C)C)CC1 1740688313 DAEGGXNBXQMQMI-MRXNPFEDSA-N 404.584 1.703 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC(C)C)cc2)CC1 1740694488 LCGZVULLBQLAKJ-HXUWFJFHSA-N 422.533 1.820 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOC(C)C)CC1 1740694887 WXNYONNLBCGRFT-UHFFFAOYSA-N 421.505 1.774 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCCN(CC)S(C)(=O)=O 1740728428 BSXCFWKUBOCJFX-LJQANCHMSA-N 404.540 1.937 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)N1CCOCC1 1740893782 WJTWSCVBSGMSCN-INIZCTEOSA-N 419.551 1.692 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1740957620 UUIDIWLOTOYFSR-HSZRJFAPSA-N 420.517 1.992 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740995264 GMVCRTRSSGJPIS-MRXNPFEDSA-N 408.572 1.640 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1741725569 SWVIOZKZDVGBKY-TYCQWZJGSA-N 419.526 1.599 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1743255713 VRTHZIOCSGNKFC-BFYDXBDKSA-N 415.519 1.865 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1747603214 GSXZRGXIGKPVAU-GOSISDBHSA-N 417.470 1.150 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1749019878 DYPXPTAJRVCEGD-SJORKVTESA-N 402.568 1.553 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1749055329 HPBQPSOYQKVATR-OTNPHJDUSA-N 404.511 1.462 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(NS(C)(=O)=O)CC1 1749406734 NIWRPAJFTGBBSX-UHFFFAOYSA-N 424.571 1.275 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)=O)CC1 1749459885 URAFFARDCNJVQN-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOC2(CCC2)C1 1749734565 KQFUASSOHLHWCJ-INIZCTEOSA-N 410.540 1.532 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(N)=O)c2)CC1 1750385120 CLTXNOJNHWSATB-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1=CCCOC1 1751218330 FYJLHDDTPOHMAG-RDTXWAMCSA-N 408.528 1.365 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(=O)N2)C1 1751272125 HGANSDDNQARQOZ-VLIAUNLRSA-N 408.466 1.334 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1751495602 FDXRFNLDCBKYHV-HMWBCQRISA-N 412.450 1.598 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(F)F)n1 1751853360 FQMBAIMWKAXHID-HNNXBMFYSA-N 409.441 1.540 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1760186426 NEUQYVQJEHNSLZ-RTBURBONSA-N 416.547 1.725 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCNS(C)(=O)=O 1760246373 PLRHHOSESSBBSJ-UHFFFAOYSA-N 411.915 1.234 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760356607 ROMXYJYGJPWOOV-UHFFFAOYSA-N 411.572 1.904 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760357514 KKMZDIKCXMHIHE-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760373787 BUYRGUCZFRXDNB-KBPBESRZSA-N 411.919 1.366 30 10 HDEE CC(C)Cc1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761032127 PXDXOPNUSZXDKS-RAJOGRCSSA-N 402.499 1.618 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1763198635 HBMJMURUWOKCHF-LMMKCTJWSA-N 411.510 1.568 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1768191772 HFPTXTDTLYMERR-SFHVURJKSA-N 412.494 1.537 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1771342893 DWMFVDRNEHHBGA-RHSMWYFYSA-N 411.503 1.581 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nnn(-c3ccc4c(c3)OCO4)c2-c2ccncc2)CCO1 1848458378 CNBZJUUCRRLZJT-OAHLLOKOSA-N 404.386 1.423 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OC[C@@H]3CCNC(=O)CO3)cc2)c1C(F)(F)F 1851123060 ALAHPTUYCYRCSS-AWEZNQCLSA-N 408.336 1.825 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2cc(OC)ccc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854176611 YVJHNCFMNQLSMV-MSOLQXFVSA-N 415.490 1.093 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3cc(F)cc(F)c3)C2)cc1 1854380036 KJQHQPGKIFSMRP-MRXNPFEDSA-N 408.382 1.927 30 10 HDEE Cn1nc(-c2ccccc2)cc1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855072586 KDAGBPALFILMJU-GOSISDBHSA-N 406.490 1.359 30 10 HDEE Cc1cnc2c(c1)CCCN2S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1855630292 UUNABKNZQCLLQJ-UHFFFAOYSA-N 410.455 1.861 30 10 HDEE COc1cc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc(OC)c1OC 1855843427 OPZUBUDOEKHASX-OAHLLOKOSA-N 401.463 1.937 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1C[C@H](C2CCN(CCC#N)CC2)CC1=O 1856146388 MZTPJVKFVQOCPN-MRXNPFEDSA-N 407.478 1.491 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)c1 1856211881 IHHOZKBZVQYXCV-INIZCTEOSA-N 405.476 1.965 30 10 HDEE CN(C[C@H]1COCCO1)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856724067 XVSDYBUHQVHAMV-MAUKXSAKSA-N 405.882 1.884 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(OCC)cc2)C1)[C@H]1CCN(C)C1=O 1857265310 UWVNTPHXLVETSC-QUCCMNQESA-N 413.518 1.722 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1857394438 VYZJXMKWJHNUJI-KKSFZXQISA-N 400.454 1.439 30 10 HDEE CN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)[C@H]1CCS(=O)(=O)C1 1858438165 VABJYGBXFDESQV-HNNXBMFYSA-N 406.489 1.377 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1 1859009564 UXCFHSYNPAMGKP-UHFFFAOYSA-N 404.419 1.846 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1861596548 BSUVVCXHWZKTLR-RLLQIKCJSA-N 413.518 1.646 30 10 HDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(C)cc2)C1=O 1863620299 RLXFGTMQMPVYGG-UHFFFAOYSA-N 411.483 1.698 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CCC(=O)N3)sc2c1 1866196770 KIMNKKOPVWVPQP-CQSZACIVSA-N 420.516 1.876 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868796893 YMVYHOFLTFTIGW-ZWKOTPCHSA-N 418.563 1.903 30 10 HDEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144034 LMCXSUQLYOZDFY-UHFFFAOYSA-N 412.369 1.250 30 10 HDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)c1ccc2c(c1)C(=O)N(CC(=O)O)C2=O 1873681561 HCDWVRNDAVJLTB-UHFFFAOYSA-N 416.353 1.072 30 10 HDEE C#CCOC1CN(C(=O)C[C@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891421405 YRCPQLCFZFGSML-HNNXBMFYSA-N 421.482 1.480 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1993237609 CJENYGVWBUJTNB-ZNMIVQPWSA-N 424.498 1.328 30 10 HDEE CC#CC[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 2028858399 RBXSAONKHLYERM-HNNXBMFYSA-N 406.460 1.095 30 10 HDEE C#CCO[C@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024234 YVVDZHQKIJCPQP-LIRRHRJNSA-N 408.451 1.065 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2118172826 YPYNZAXZKHANDH-CANCMXDXSA-N 406.530 1.232 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(Br)c(NN)n2)CCN1Cc1ccccc1 2120569979 SLPOJQFAATXEPG-AWEZNQCLSA-N 415.295 1.980 30 10 HDEE CC1(C)OB(C=C2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)OC1(C)C 2163710487 GVBRSFSVLQWCHL-CQSZACIVSA-N 405.347 1.157 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H](C(=O)O)C1CC1 2167064369 SWHKVDUHRPGDCU-HNNXBMFYSA-N 400.497 1.514 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243424710 WJTZDCYFWLRXSL-UHFFFAOYSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243675863 BKXFYLMDEAWWKN-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOCCCNC(=O)OC(C)(C)C 2247857537 HLTKSIFRUBDECN-UHFFFAOYSA-N 423.319 1.901 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)cc2)OC1(C)C 2247927323 HBCKFBWWWVUMJD-UHFFFAOYSA-N 412.217 1.736 30 10 HDEE Cc1nc(NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248405403 UFGMVXIXWOVTBR-GFCCVEGCSA-N 422.291 1.868 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)O2)C1 2248478999 ATORWBWFWORGEA-HNNXBMFYSA-N 420.315 1.906 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCC(C)(C)CC#N)NC(=O)OCc1ccccc1 2258165295 FCAQAZYLAFNODE-OAHLLOKOSA-N 411.480 1.314 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4[C@@H](N)[C@H]4C3)cc2Cl)OC1(C)C 2267357927 CHBBKROXTDXSKU-BZBKMWRSSA-N 404.750 1.278 30 10 HDEE CC1(C)OB(c2cnc(NCCn3ncc(Br)n3)c(F)c2)OC1(C)C 2268998708 LHMMDJDZCUJXFT-UHFFFAOYSA-N 412.072 1.986 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282017834 PICCTKATBULWKF-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE C[C@H](CN1CCCC1)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332388 ZYEGPZXPVBETMN-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@]2(C)CO)OC1(C)C 2282336809 BUIKMCMHHLONJX-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1CO 2282351225 YCHDZVDXNXGQIQ-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NO[C@H]3CCOC3)ccc2Cl)OC1(C)C 2282489496 GVEFALWUBKDDKS-NSHDSACASA-N 403.693 1.638 30 10 HDEE CNCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494954 FOXNMAVRZUBHGZ-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE CNCCN(C(C)C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502815 QEYONUODOLEOMT-UHFFFAOYSA-N 403.379 1.202 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC1CNC1 2282835968 CRKWDHWKQGVUMX-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE CO[C@H]1CC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838734 UCNYQBZWSAIIEX-AAEUAGOBSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)CCCNC2)OC1(C)C 2282850086 KUQNPBYWHZQYQC-KRWDZBQOSA-N 400.375 1.715 30 10 HDEE CC1(C)C[C@@H](N)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855971 LRNCXWAQOSXHEQ-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN1CCC[C@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282856577 VGDGAAKYZTVCRR-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE CCN(CC1CN(C)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884543 PKXDWGFTSBPCHV-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)N2CCC(C#N)CC2)cs1 2286721765 OATFCNPRNGHPSE-UHFFFAOYSA-N 415.541 1.738 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc3c(c2)OCCO3)cc1 2325720360 BKWQZUUJNYSNFX-UHFFFAOYSA-N 416.455 1.046 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(CC)cc1 2330742532 JMZGHLRYUIUVLO-UHFFFAOYSA-N 402.524 1.977 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339674727 NFSKKKDTTNXBMA-KBPBESRZSA-N 401.554 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@H]1[C@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173519 UWVWJUWAIJRLEK-LIRRHRJNSA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788863 BRVMJHXRCFMEIN-SCLBCKFNSA-N 401.481 1.342 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 2367796417 ILMWSJLPSXBGSN-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1(C)C 2367809673 PISFUAYAPFKSKT-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE O=C(C#Cc1ccccc1)N1CCC(N2CCC(C(=O)N3CCOCC3)CC2)CC1 12093627 VHDJBMTWKPCJKK-UHFFFAOYSA-N 409.530 1.600 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 27559489 LAENUCYIUCGHLD-UHFFFAOYSA-N 410.522 1.347 30 10 HDEE C#CCOC[C@H](O)CN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C(C)C 36207544 RDEACWVUYRAEOF-CYBMUJFWSA-N 407.492 1.301 30 10 HDEE C=CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(C(=O)c3ccco3)C[C@@H]12 169681660 WRDHXXQTBVFOMS-WMZOPIPTSA-N 410.430 1.993 30 10 HDEE CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)[C@H]1c1ccncc1 170359089 OGMMOHFQLVRWBO-INIZCTEOSA-N 401.444 1.854 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CC[C@H](O)CC3)C2=O)cc1 242453294 BOTUFAICJFRCTA-DRSNIGMVSA-N 415.490 1.828 30 10 HDEE Cc1ccc(Cn2c(=O)c3c([nH]/c(=N\N=Cc4cccnc4)n3C)n(C)c2=O)cc1 254445766 UAJTWYZQPJEFEJ-UHFFFAOYSA-N 403.446 1.053 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCSC[C@H]2C#N)cc1 432222539 GHIDBBIJYQAQHT-CYBMUJFWSA-N 403.551 1.251 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2cc(F)ccc2F)C(F)F)CC1 433611485 CGMOSPIMFNVVMI-MRXNPFEDSA-N 402.392 1.900 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C2CCCC2)CC1 439935097 UDTKAEGLPCBHGO-IBGZPJMESA-N 416.547 1.798 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)c(F)c1 440056953 VFPZDCBLYSPXKN-UHFFFAOYSA-N 418.498 1.119 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccccc3OCCO)C2=O)cc1 473547274 WWYLWGGOCQBNJE-SFHVURJKSA-N 422.441 1.451 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H](CO)Cc1ccc(F)c(F)c1 480781586 VLGWMSXMZQSHQS-LBPRGKRZSA-N 411.386 1.874 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c(OC)c1 483077849 QFWACJHYEAZWOQ-NJNPRVFISA-N 405.491 1.675 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN4C(=O)N(CC(C)C)C[C@H]4C3)cc2C1=O 487013536 CRURCNIHIIDYEM-MRXNPFEDSA-N 410.474 1.687 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2CCS(=O)(=O)c2cccc(C#N)c2)cn1 488170218 VLLVTQGLNLTDNP-DWXRJYCRSA-N 406.533 1.354 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3ccc4c(c3)CCO4)C2=O)cc1 488663168 DWJBTYZSJLNRHI-SFHVURJKSA-N 404.426 1.349 30 10 HDEE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1=O 489098718 HQYHOQHAVLPBHE-SFHVURJKSA-N 413.409 1.613 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc1C#N 489116222 IJZFTZZIPUGUDA-SFHVURJKSA-N 414.487 1.649 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(C)cc2)CC1 492417247 JFQKWTYCLSTZQS-KRWDZBQOSA-N 418.563 1.502 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 504362857 BSXGCLNMRZPSIK-UHFFFAOYSA-N 416.499 1.826 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 506185324 AGLSEKDMIFLEEP-NHCUHLMSSA-N 414.462 1.619 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 508921663 MINIOEZZKMGJFF-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cn1 509773046 BOPYCCLVDXAYDI-UHFFFAOYSA-N 420.878 1.519 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccncc3OC[C@H]3CCOC3)CC2)n1 514128205 FVEPUAAPHIBWFS-KRWDZBQOSA-N 422.489 1.795 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@@H]1CCCO1 514306557 LEVWXXZJGYPMET-HNNXBMFYSA-N 415.540 1.276 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1 521065042 YXIGMCSSIVCFQZ-KRWDZBQOSA-N 413.503 1.806 30 10 HDEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nccs1 541608990 CDDJNRRLZZEVDV-AWEZNQCLSA-N 419.532 1.834 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccnc(C#N)c2)c1 552422566 SHVAWCDTANZKMG-UHFFFAOYSA-N 401.492 1.826 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccnc3C(F)(F)F)CC2)c1C#N 553866779 PSHNMXPFDHDCAF-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 569231149 WKYADCNUHHAGJU-QGZVFWFLSA-N 416.526 1.777 30 10 HDEE COC(C)(C)CS(=O)(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 577024919 OSMBWWRZEUIWDY-UHFFFAOYSA-N 405.524 1.912 30 10 HDEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)ccc1C#N 577568016 CRNBWZNMHVWUBO-UHFFFAOYSA-N 422.894 1.998 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCN(Cc2ccccc2)C1 589452918 NBFLEYGHTQVLLD-IBGZPJMESA-N 412.515 1.569 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c(F)c1 609460094 RFTVOCHVFWWWCX-GVDBMIGSSA-N 421.494 1.423 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1-c1ccccc1 612598246 XXKDFDYZTOFCTG-UHFFFAOYSA-N 420.450 1.365 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)c1 646495451 LGMXUMPAYVCNDK-UHFFFAOYSA-N 417.535 1.891 30 10 HDEE COc1ccnc(N2CCN(CC(=O)[C@@H](C#N)c3nc(O)c4ccccc4n3)CC2)n1 725797299 VWXAJNIAAYMGCT-OAHLLOKOSA-N 419.445 1.132 30 10 HDEE C#CCN(C(=O)c1ccc(I)c(F)c1)[C@H]1CCS(=O)(=O)C1 729333046 JDUKPFBSUBMBCJ-NSHDSACASA-N 421.231 1.693 30 10 HDEE C#CCN(C(=O)CCCOc1ccc2c(c1)CCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 729334082 IEXIVEUVBLPXMW-MRXNPFEDSA-N 404.488 1.379 30 10 HDEE C#CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1)[C@H]1CCS(=O)(=O)C1 731213597 HDVVJJHRAOSHRY-HNNXBMFYSA-N 419.528 1.880 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1nnc(Cc2ccccc2F)s1 732434571 BTMHIIOIDUKVNV-NXVVXOECSA-N 416.438 1.916 30 10 HDEE COc1cc(OC)cc([C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c2nccn2C)c1 732699400 AWTQQFJOKJDHTN-XLIONFOSSA-N 424.505 1.908 30 10 HDEE CC(C)Cn1cc(C(=O)[C@@H](C#N)C(=O)N2CCS(=O)(=O)CC2)c2ccccc21 732910807 VFEWIDHDKQNBPW-MRXNPFEDSA-N 401.488 1.877 30 10 HDEE Cn1ccnc1CN1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 733310246 PPKXJKBGMVMRAZ-MRXNPFEDSA-N 405.462 1.063 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)CC2=O)cc1 734292309 JOYKTUNAIZJOHQ-HNNXBMFYSA-N 413.455 1.733 30 10 HDEE CSc1ccc(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737305308 GRIHHYVUNVUSON-CCEZHUSRSA-N 408.867 1.643 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1C(F)(F)F 739751043 KVKXQVIHYMIHEG-ZDUSSCGKSA-N 405.398 1.295 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1 744839676 KHBBHALVRWXHRH-LESCRADOSA-N 401.463 1.617 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746125275 PNELIZKYZAUMIR-XOMICKMZSA-N 412.446 1.541 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ncccc2C(N)=O)CC1 747324048 QUXRUFDFPDABCY-UHFFFAOYSA-N 404.430 1.707 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc(N(C)C)nc1 752433169 ZUJOKGATFFDWLK-HNNXBMFYSA-N 416.507 1.779 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](O)c1cc2ccccc2s1 757684959 IDYSBNBQTQYVLQ-IAFNSTAXSA-N 400.460 1.760 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758059887 VUWYOMWILAEGHO-UHFFFAOYSA-N 413.568 1.930 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763437113 RAXBSPLUFJWMSI-UHFFFAOYSA-N 420.538 1.716 30 10 HDEE CSCC[C@H](C(=O)OC1CCN(CC#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 770776991 SUEPEVJTTCYQFW-BRWVUGGUSA-N 407.536 1.814 30 10 HDEE O=C(CCC(=O)N1CCOCC1)OCCC#Cc1ccc(CN2CCOCC2)cc1 770856728 AEBNOAVJAVGBRW-UHFFFAOYSA-N 414.502 1.443 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774168442 YAAUBWZZNMIWFW-WOJBJXKFSA-N 419.547 1.200 30 10 HDEE C#CCN(C(=O)N[C@H](C)Cc1cc(C)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774251844 KQGIOJQQAFDBBD-VQIMIIECSA-N 414.531 1.944 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)O)ccc1F 776457660 DMSGPUANIHBXCP-INIZCTEOSA-N 406.391 1.562 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cc(OC)nc3C)c2=O)c1 781661111 XKTWHSDFDFJIET-UHFFFAOYSA-N 412.474 1.927 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)cc1C#N 786627369 PPMBFXYYHBIEOR-ZDUSSCGKSA-N 409.442 1.831 30 10 HDEE C[C@@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)NC1(C#N)CCC1 787725835 DXYXYJKBSLYVKD-SNVBAGLBSA-N 419.239 1.533 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(F)(F)F)nc2)n1 788694860 ZBUFCMNMFIYTFG-UHFFFAOYSA-N 402.398 1.767 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 788810957 LYRHRHXCNAVGCM-OAQYLSRUSA-N 422.529 1.973 30 10 HDEE Cn1c(S)nc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2c1=O 789890687 JPTLVKOKJBWBGF-UHFFFAOYSA-N 406.471 1.451 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)C2CCCC2)n1 790104650 IHNUNIDSCCLTDE-SFHVURJKSA-N 404.536 1.583 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1Br 795074731 ZHQGTGNGMUPCOT-NSHDSACASA-N 422.322 1.269 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1C#N 799794190 YJMRBJPWZLHYJB-UHFFFAOYSA-N 404.839 1.879 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 800780506 XEZHBBVREPCRET-KRWDZBQOSA-N 414.466 1.094 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(Cl)ccc2OC)N(Cc2cnn(C)n2)C1=O 807939335 MFZDVNJCWKRPHC-CQSZACIVSA-N 422.898 1.745 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1CC 812036930 ODZHRGPXINQGJX-UHFFFAOYSA-N 413.503 1.059 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1cccc(CC#N)c1)CCO2 814399529 YSBYBXWEOQICOJ-UHFFFAOYSA-N 407.492 1.763 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)cn1 1084195356 XTQZAGZXBSTGBW-UHFFFAOYSA-N 405.444 1.121 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 1116458035 ZVGLNJNAIITZHS-QBNCKDSPSA-N 414.506 1.544 30 10 HDEE COc1cc(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 1124446383 SYAVCHAIGQPGSU-UHFFFAOYSA-N 419.434 1.979 30 10 HDEE C[C@H](C(=O)N[C@@](C)(C#N)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O 1128704111 VKIOLZQYXHOGQJ-QGHHPUGFSA-N 407.268 1.394 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129020850 BUNFWSKQXFNIDN-KSSFIOAISA-N 403.545 1.776 30 10 HDEE CN1CCN(CC2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1136645314 CXFXMNGRBOVCDD-UHFFFAOYSA-N 422.526 1.223 30 10 HDEE CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H](C)CS(=O)(=O)CC 1136802151 MXRZMWFOIVQQHS-GFCCVEGCSA-N 404.485 1.408 30 10 HDEE C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1140661084 QDBWRJXHUWNWGM-UHFFFAOYSA-N 407.536 1.628 30 10 HDEE CCOC(=O)[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)=O 1141804433 YSFBIQRUQQEVDJ-ZKCWRFQVSA-N 423.491 1.596 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1142423158 VWTVNMQRNKQOLK-UWJYYQICSA-N 410.474 1.667 30 10 HDEE Cn1ccnc1Sc1ccc(F)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1142627099 DGJXGXLWCALDMJ-UHFFFAOYSA-N 400.395 1.483 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cccc(C#CCO)c1 1144888275 JNCRDOJTCSKTDY-UHFFFAOYSA-N 401.507 1.655 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)CCCN1C(=O)OC(C)(C)C 1158853228 UAGMZCZNBLBNMA-YCRPNKLZSA-N 415.494 1.990 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C(=O)OC 1161365053 NTLQUOSIPQGKRB-WTQUMQLASA-N 404.488 1.380 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)Cc1ccc(Br)cc1C#N 1167216545 YLEQTGOATYSYPS-IBGZPJMESA-N 422.323 1.595 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCC[C@]4(CCOC4)O3)CC2)cc1 1192080054 FVPSZVWIZNFOEA-UYAOXDASSA-N 405.520 1.593 30 10 HDEE C#CC[C@H](COC)NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1221189544 YAMKDFZHNOJHQK-LJQANCHMSA-N 402.495 1.185 30 10 HDEE CN1CCC2(CC1)CN(C(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCO2 1248376280 VPURUANGCYJDPR-IBGZPJMESA-N 411.506 1.165 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 1252459148 PGOCLBGGTIGDLO-GDBMZVCRSA-N 408.296 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1286286524 YTQYPSAAYLJSHK-DYVFJYSZSA-N 405.462 1.873 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286303274 BUAJXTGPZLYWRI-MWDXBVQZSA-N 419.526 1.922 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386622 DYUTWUQVKKXVDV-IBGZPJMESA-N 414.531 1.998 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CCN1CCOC[C@H]1C 1286467045 QAFISZYJZCBZOO-GOSISDBHSA-N 415.513 1.815 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1286475885 JNKALADEHKXBRQ-UHFFFAOYSA-N 419.464 1.873 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2O)C1 1286538950 UPAQEKHCZTYTAR-CYBMUJFWSA-N 419.283 1.801 30 10 HDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1286593274 HWBGAZUHMFWNSH-UHFFFAOYSA-N 418.492 1.981 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1286776757 XQPZOGCSFRTANX-UHFFFAOYSA-N 411.466 1.821 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1286782445 VIDYBELPHWNSRH-IBGZPJMESA-N 405.506 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1286816105 IGBWVYJJQLDDME-QGZVFWFLSA-N 417.491 1.283 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1c(C)nn(C)c1C 1292167150 AFSKFMXQBKYQNG-XLSIIYIISA-N 400.523 1.809 30 10 HDEE CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1292842280 JOSJTIAYCATCIV-ZZEZOPTASA-N 424.509 1.917 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1 1299264262 AONHHDDWUDCBCG-ZNFPLGDCSA-N 407.488 1.701 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1301380881 NNUPUCIHPZFLNK-MRXNPFEDSA-N 402.524 1.800 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CC(OCC)C2)C1 1301553253 IDBGHEFWLCYVSC-LSWWBPAMSA-N 400.483 1.446 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@@H]1OC 1302310709 CNLYQYICUOJVAI-WKULXVSPSA-N 405.499 1.546 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc2ccccc2c1 1302618119 NKHUGDYZKCSLSJ-UHFFFAOYSA-N 403.460 1.423 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc(C4CC4)n3CCOCCCO)CC2)c(F)c1 1302991652 KGMQMLDBMJGQKF-UHFFFAOYSA-N 414.485 1.892 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(Br)c(C#N)c3)c2S1(=O)=O 1304094645 HMFXPYIUIROYKP-UHFFFAOYSA-N 410.253 1.404 30 10 HDEE CC1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CN(C(=O)OC(C)(C)C)C1 1305715562 VJKGYGPMWZTXQJ-UHFFFAOYSA-N 422.507 1.618 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1309798354 CTXFFKFQSSQELG-QFIPXVFZSA-N 410.495 1.860 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)C(C)C 1312809104 ZERXSMZMYRGZEF-HZMVEIRTSA-N 420.510 1.868 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1313439812 SYQKAOUQRBETDT-INIZCTEOSA-N 402.461 1.774 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC)CCOC1 1314136574 XHHGGLAPIVURQZ-XLIONFOSSA-N 404.515 1.143 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1314526273 YHWUYXVVTDENCY-UHFFFAOYSA-N 403.468 1.062 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1315815875 OTHYSDRQUBARAI-GOSISDBHSA-N 422.468 1.918 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 1325205994 MJPJTPHTPULFPF-KXBFYZLASA-N 407.492 1.092 30 10 HDEE C#CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1352905936 WPHDBVYGWGOJAD-JKSUJKDBSA-N 400.541 1.965 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1358953635 DAVXCVLLGZLZEI-UHFFFAOYSA-N 409.450 1.146 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1358992759 WAVYOHVDMWIVDN-RTBURBONSA-N 412.538 1.193 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359048512 SURXCNRKFLWGQP-HNAYVOBHSA-N 407.540 1.167 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359149003 KVXBNLGYPIZUAS-ZDUSSCGKSA-N 422.873 1.100 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1359189011 YSHNJDPXLBUWCC-INIZCTEOSA-N 423.583 1.841 30 10 HDEE C#CCN(C(=O)c1cnnn1-c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 1360055234 POEFWBXWHRMIDF-NSHDSACASA-N 413.286 1.837 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1360171782 BJZQQLOIUFIFDF-UHFFFAOYSA-N 423.521 1.970 30 10 HDEE Cc1c(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1360977055 CPUMJYGXDBXVKM-INIZCTEOSA-N 411.441 1.815 30 10 HDEE N#C[C@H]1COCCN1C(=O)c1cnn(-c2ccccc2)c1I 1435169224 UYMPRGRCRLBHBY-LBPRGKRZSA-N 408.199 1.841 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnn(-c4ccc(C(F)(F)F)cc4)c3)C[C@H]1CS(=O)(=O)C2 1439613369 JSPGQERXZWELRH-YOEHRIQHSA-N 424.404 1.901 30 10 HDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN(C(=O)c2ccccc2)C1 1439797364 QKIJPXSBIQJXEV-IOMROCGXSA-N 415.515 1.326 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 1439905542 RMQXKEMQQYUVRD-OAQYLSRUSA-N 407.478 1.706 30 10 HDEE Cc1cc(C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)c(C)n1-c1ccc(C#N)cc1 1455749055 RLAGQHIWWYWUSU-UHFFFAOYSA-N 415.457 1.979 30 10 HDEE Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457203060 SHTQGLCRQWPMLN-UHFFFAOYSA-N 404.430 1.379 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)C[C@@H](C)C3)C2=O)CC1 1460024356 RUFATJMMNJAVBF-VTEUUUEMSA-N 404.467 1.038 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 1463792106 BQMRFMOEQBEKDE-VQTJNVASSA-N 410.449 1.325 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 1464293843 XIEFPYQRTUAGET-ZEBKQRNQSA-N 406.508 1.730 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)s1 1466250981 VIUYFIKNXHFQLV-AWEZNQCLSA-N 419.528 1.997 30 10 HDEE COc1cc(OC)c(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1Br 1467289418 HABHQLBWTGWCIQ-UHFFFAOYSA-N 409.196 1.239 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1468607083 ICCTWMTXHBSVNO-UHFFFAOYSA-N 412.538 1.333 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1468963884 OVFAAIRQQDLOJN-HNNXBMFYSA-N 403.460 1.461 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)C1CCOCC1 1470866633 URXHZSFJTGLQCK-UWJYYQICSA-N 407.511 1.836 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1471633403 GBDRPUOGSBDFMG-UHFFFAOYSA-N 409.425 1.303 30 10 HDEE CC(C)(C)OC(=O)Nc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccn1 1472191620 INRCJWYXUGZZON-SCLBCKFNSA-N 406.464 1.439 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC(C)(C)C(=O)N2CCCC2)C1 1478404369 RHOFQEMFCXFSNE-LSDHHAIUSA-N 407.515 1.693 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)C1 1479313406 NHQOYWLJTWVLBO-QGZVFWFLSA-N 401.486 1.189 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1503844327 JNFIIDCQKXWETB-GOSISDBHSA-N 410.478 1.732 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1504999436 NNBDPPZPZLGLJD-QFBILLFUSA-N 418.542 1.605 30 10 HDEE COCCOC1(Cn2c(-c3cnccn3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1505007554 JPMAYUCHADFAGW-INIZCTEOSA-N 415.498 1.686 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507565845 GXSGGWGDBSGKBI-SFHVURJKSA-N 416.551 1.779 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1507699884 KJYWDDZFMMLOIT-IKGGRYGDSA-N 410.540 1.286 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1507829188 STNCVUUOSLGUAG-IBGZPJMESA-N 418.505 1.660 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@H]1CC 1507843583 OJHNDQYSJMVHCM-OAHLLOKOSA-N 416.482 1.313 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507980204 FRRCIPVDJVRKFP-KKUMJFAQSA-N 401.508 1.371 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCS[C@H](C)C1 1508142191 RFLUSQUAPSPFFB-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1508416469 FUTORIJJESEKIV-LBPRGKRZSA-N 415.479 1.234 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1511604792 FVTWUPGZHRUESU-LJQANCHMSA-N 402.478 1.844 30 10 HDEE COCCOCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1519401904 KHIRFIZJGNTIDQ-KRWDZBQOSA-N 424.461 1.992 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1ccc(-n3cc(Br)cn3)nn1)CC(=O)N2 1524671447 HQXZZMYXBQMLDU-UHFFFAOYSA-N 424.218 1.895 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1 1530698977 HGGDKFAPLNEOKU-UHFFFAOYSA-N 409.471 1.844 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1539012219 FHSQHPSEPAFKHP-UXHICEINSA-N 423.565 1.847 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1539068614 YPHNFQZWYFXSSM-UHFFFAOYSA-N 424.530 1.564 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539112369 NWQQGZQOHMJADW-INIZCTEOSA-N 404.540 1.794 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1539125260 KRMHPYNADBXAID-UHFFFAOYSA-N 407.526 1.893 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539125370 LNFUDMXYXXSQIW-CRAIPNDOSA-N 416.503 1.827 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1539200799 OQECLSWRPCJGMV-YRXWBPOGSA-N 419.570 1.959 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1539377791 VSMWADXZZYRLSH-GOSISDBHSA-N 420.517 1.913 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1539437525 CWDCZAVELUUIAG-QFIPXVFZSA-N 403.490 1.050 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1539915493 BEPUZIMWYKGVJW-IRXDYDNUSA-N 423.583 1.887 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2C[C@@H]3OCO[C@@H]3C2)cc1 1540877411 UHUQEXQKYAXAHA-HDICACEKSA-N 413.478 1.591 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1540878543 ZWYSHZOZZYIMNL-MRXNPFEDSA-N 421.505 1.959 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1540902247 DZXMMEWYFBRHQW-KURKYZTESA-N 424.567 1.921 30 10 HDEE C=CC1(CC(=O)NCCCN(C)S(=O)(=O)CC)CN(C(=O)OC(C)(C)C)C1 1541036790 VALDMSWRTZLATR-UHFFFAOYSA-N 403.545 1.587 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541364476 LESNMGXANKGBJY-OSCRUYLVSA-N 424.509 1.104 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1541815637 NTVBZKLDYORRMA-QAPCUYQASA-N 410.478 1.774 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 1543842685 XTLIDHAKOAZRQI-LJQANCHMSA-N 405.539 1.818 30 10 HDEE CCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1546476071 SVSGXXMYTLVAIK-XJKSGUPXSA-N 404.412 1.936 30 10 HDEE CN(C)c1ccc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cc1 1552814846 RNSRTNHWPMZJPM-LJQANCHMSA-N 423.521 1.552 30 10 HDEE COc1ccccc1OCc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(C#N)o1 1555106358 RMFNAZBMHFZHQH-UHFFFAOYSA-N 422.445 1.657 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1CCN(C(=O)OC)CC1 1555558774 DLRIOOVQRKRXMI-QGZVFWFLSA-N 420.514 1.974 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@]3(OCCO)CCOC3)C2)C1 1557430587 JMVPLLJMZLXGNE-CMZAIVPFSA-N 423.510 1.057 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 1557989635 ZVBYVOLQJWILOG-CALCHBBNSA-N 410.430 1.494 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1558330058 XXMOXKOLZHHITR-CYBMUJFWSA-N 419.425 1.077 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)C[C@H]1C 1558973062 ACSJESBXPLKWET-TWPQKTAQSA-N 412.240 1.136 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@](O)(C3CC3)C2)CC1 1559987082 DBQNQFXLFPHRTN-RBBKRZOGSA-N 400.498 1.771 30 10 HDEE Cn1ccnc1[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(C)(C)CO 1564530619 GEFDDRGVFARWSY-ZNMIVQPWSA-N 420.514 1.538 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1565157150 ZRDFSOWPDGMDDS-KRWDZBQOSA-N 414.572 1.251 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1583661961 RPGPDDIVKJFGGD-HKUYNNGSSA-N 406.504 1.323 30 10 HDEE C[C@H](C(=O)Nc1cccc(C#N)c1Br)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1584220101 IFHRHUQPKYVASK-LXOGICJWSA-N 418.247 1.810 30 10 HDEE C#CCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1586023093 LLTDFSFEVQTEKG-NGEICVOHSA-N 405.472 1.327 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1587639134 KJKCRHQGJCWAHH-OWCLPIDISA-N 409.556 1.191 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCc1cnn(C)n1 1587927067 SAFOSHNRRRVRJC-UHFFFAOYSA-N 403.288 1.866 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc2n1CCCCC2 1588011845 MFDAPKOEPFKUFH-UHFFFAOYSA-N 424.534 1.705 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1588074358 DCQJFHUBBDLBSV-UHFFFAOYSA-N 420.531 1.788 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1588162382 QGIHSYRCLPDMJA-UHFFFAOYSA-N 419.485 1.733 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CCN1CCOC[C@@H]1C 1588620048 MQKNTRPZQRXEQG-SFHVURJKSA-N 413.522 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)CC1 1588805969 DQTVYRUGBCBJOA-SFHVURJKSA-N 413.570 1.106 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1CCCO 1589207850 QZNACWCFDUEKOU-CSODHUTKSA-N 400.527 1.068 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1589208141 VXUHISKZHFIZCQ-FUHIMQAGSA-N 421.567 1.446 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1593741693 VFYZATGEILDQGX-SJORKVTESA-N 404.515 1.127 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)C(=O)C1 1593872478 HYGYPCKURUWYJQ-UHFFFAOYSA-N 422.873 1.053 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CC2)CC1 1594193081 NVDSBFFSLNVCSC-OAHLLOKOSA-N 412.556 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1595475212 BSMPMMOMFSXWDV-AWEZNQCLSA-N 402.478 1.350 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1596822487 LCVZDFZPMUBZSH-INMHGKMJSA-N 411.514 1.228 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CC[C@@H](C(F)(F)F)O3)C2=O)cc1 1597562954 KTFADMXKHRUPAE-KFWWJZLASA-N 424.379 1.989 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1603662195 DMZYARGTUZMXAE-UKRRQHHQSA-N 410.268 1.429 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H](C)N2CCOCC2)CCOC1 1610337059 PJCCXADKOBAUPT-LVCYWYKZSA-N 420.558 1.778 30 10 HDEE COC(CN(CCCO)C(=O)COc1cccc(Br)c1C#N)OC 1616938070 PHNFHTIWDBIDGV-UHFFFAOYSA-N 401.257 1.529 30 10 HDEE C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1620611093 KRYNLQQKFCFKGH-DINDLPBHSA-N 408.480 1.633 30 10 HDEE CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](CC)CN1C(C)=O 1621195891 KPLDBUSQTSSHFF-LSDHHAIUSA-N 409.483 1.984 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(F)F 1628385634 CCJBMNIPJBDKNU-QMLLPTRZSA-N 402.398 1.178 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1629950612 DHDTWFUMOXTNLU-LJQANCHMSA-N 407.492 1.448 30 10 HDEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(CCC#N)CC1 1632348528 BJOBVVPPKRRPDQ-UHFFFAOYSA-N 409.416 1.750 30 10 HDEE COc1ccc(CC(=O)N2CCC[C@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1634196662 FZZPOKVSUYPKAO-MRXNPFEDSA-N 407.492 1.021 30 10 HDEE CSCC[C@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C#N)CO 1635475110 BLPPMCJGEGVARG-MFKMUULPSA-N 400.298 1.301 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1 1636475283 BIBOOFVLAXUNKU-UHFFFAOYSA-N 419.547 1.871 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)CC1 1636475695 SYQHSUNODNYUQW-UHFFFAOYSA-N 402.520 1.691 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 1637886499 SEKYBTNSJTWPAD-QZTJIDSGSA-N 400.479 1.961 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 1638018592 DCOVGIXIPIIWHT-UHFFFAOYSA-N 400.447 1.515 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](CCSC)c2nn[nH]n2)CCCN1C(=O)OC(C)(C)C 1640964051 SEHZWGLAMFNWHS-UGSOOPFHSA-N 408.528 1.903 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1641582987 MZQLCMHXUMWOPQ-OAHLLOKOSA-N 410.492 1.508 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CO)Cc3cncs3)C2)C1 1641768527 FWHBVPRDDUOVTM-LTWWHTJUSA-N 420.535 1.950 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1644123341 BRHTZLIHTPROEZ-HNNXBMFYSA-N 407.492 1.782 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nnc(C)n2C)CC1 1644184735 BHHLHCXRDBYCDT-CQSZACIVSA-N 412.922 1.808 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1 1644282091 TUTXHKWEZGNDNO-UHFFFAOYSA-N 411.483 1.740 30 10 HDEE C[C@H](CC(=O)NCCc1ccc(O)c(CO)c1)/N=C1/NS(=O)(=O)c2ccccc21 1644712881 RDEIBBAWBPYBIW-CYBMUJFWSA-N 417.487 1.061 30 10 HDEE O=C(Cc1cc(I)cc(I)c1)NO 1648440735 HDIHRWVAPDFTTP-UHFFFAOYSA-N 402.957 1.944 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1648460124 JMHNYGKEUVGEDH-UHFFFAOYSA-N 412.515 1.701 30 10 HDEE O=C(C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N(O)Cc1cccc2ccccc12 1649069526 CIWJFWQLVKVXOW-MRXNPFEDSA-N 415.471 1.723 30 10 HDEE Cn1c(=O)n(Cc2ccc(C#N)cc2[N+](=O)[O-])c(=O)c2ccc(C(F)(F)F)nc21 1651756936 AOGXCABSGHDJPH-UHFFFAOYSA-N 405.292 1.942 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]([C@@H]1CCOC1)C(F)(F)F 1653186144 JTPIJPMUPBUKPV-ZKYQVNSYSA-N 405.398 1.309 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)C1=O 1655136369 DMUSWBYPPOIUKA-CYBMUJFWSA-N 417.434 1.603 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1660499334 KPRKUIMZDHENKL-MRXNPFEDSA-N 406.870 1.211 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CCS1(=O)=O 1663346797 BPRDRNQWDWKAJK-JTQLQIEISA-N 407.311 1.518 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 1673571859 CDPVCJKMVMEKDP-MRXNPFEDSA-N 424.498 1.066 30 10 HDEE COC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1680655145 VGFKJADKNKTDKI-OAHLLOKOSA-N 403.826 1.428 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681301909 TVQRIAKFSFZSKY-IEBWSBKVSA-N 408.462 1.570 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2=O)cc1 1682021506 HKRNTFGYYRGNRS-ZWKOTPCHSA-N 405.462 1.345 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683735392 HTZARPRWJPYYJH-HOTGVXAUSA-N 410.515 1.993 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1684300622 PYTIDHSONCVJHY-HNNXBMFYSA-N 424.479 1.039 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1684752747 IPXWQGKNWGEOGE-VXKWHMMOSA-N 419.529 1.614 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC 1689851392 PXCGPRFCMSDQTK-NVXWUHKLSA-N 401.490 1.895 30 10 HDEE C#CCN(c1nnc(C)n1Cc1coc(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1689982169 JAASOJQDHDZJOG-GOSISDBHSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689992071 GQOJTYOMFMFIGX-YQVWRLOYSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(N)=O)cc1 1689998479 NGPFFYZLVBBNAB-UHFFFAOYSA-N 406.490 1.417 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690175097 PWWZMVPSKARYSZ-QZTJIDSGSA-N 405.568 1.307 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690229845 IDAWCJADQNMSCC-ZDUSSCGKSA-N 411.304 1.516 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1690345724 BPXSSBNHHVKBDX-ZIAGYGMSSA-N 404.920 1.174 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690672519 VEAANUVBJHDZRE-QZTJIDSGSA-N 418.586 1.716 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(N)=O)C1 1690682801 ZKDMTBWUEFYWAB-DLBZAZTESA-N 424.505 1.544 30 10 HDEE CCn1cc(C2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)cn1 1695781378 ODQCAUWIGPOFTR-VXPUYCOJSA-N 424.509 1.713 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1705509048 AXJFKYQUHGOAKA-AWEZNQCLSA-N 412.560 1.043 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1CCS(=O)(=O)CC1 1705556481 IJAUWJIENJOLHB-UHFFFAOYSA-N 416.547 1.966 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1705564203 MLNCKGDAOFBLHM-OAHLLOKOSA-N 414.491 1.255 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1705604835 UYZLTEXOAPJOSO-GJZGRUSLSA-N 408.528 1.244 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1705628363 DUDLYVLIEBEOMS-KZNAEPCWSA-N 424.567 1.327 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCCO)CC1 1705631844 BGEFJFUQGVPPOT-UHFFFAOYSA-N 411.510 1.233 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC(=O)N(C)C2CCCCC2)CC1 1705637508 AGXFBKDHQSSYEM-UHFFFAOYSA-N 421.549 1.886 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705736758 BVCGRRPNUKRPQN-PMACEKPBSA-N 418.586 1.591 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1705832597 CRNRBDYOHGGRGO-RBUKOAKNSA-N 405.543 1.881 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1CCS(=O)(=O)CC1 1705845956 MYNFVQMRMPSPMJ-UHFFFAOYSA-N 414.535 1.964 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705907571 QOWISWNCFNYYJQ-MSOLQXFVSA-N 414.558 1.361 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)C1 1705925599 RIAUHTXGCKSXHA-IRXDYDNUSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1705930034 DHDPXFVBPVHHQQ-UHFFFAOYSA-N 411.572 1.743 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705936885 AIUBZDQCJAQSLM-HXUWFJFHSA-N 421.567 1.471 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1710992336 BNSBQYAYKFWCRP-MJGOQNOKSA-N 404.478 1.767 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCn1cc(CO)nn1 1722302601 JRJAEGMQZTZCCV-OAHLLOKOSA-N 413.457 1.628 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722315251 KBXDJROYNYUJBX-ROUUACIJSA-N 422.537 1.928 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1nncn1-c1ccccc1 1722342233 UZQIBTYUSSKYMO-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1722362988 YBIOTXTVMQJXCH-INIZCTEOSA-N 418.523 1.179 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CC1 1722373604 KTKRXPFALFDQOU-MMTVBGGISA-N 404.536 1.303 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCCN1CCC(O)CC1 1722375163 LOVGNBIFSZYGRX-UHFFFAOYSA-N 407.518 1.873 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1722420980 JFSJDEHARCBJPX-MAUKXSAKSA-N 414.453 1.440 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](OC)C2CC2)CC1 1722445434 PZWQYWYAKFQIKU-IBGZPJMESA-N 410.522 1.674 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722522572 WZXUXHUVOJJFPD-OTWHNJEPSA-N 415.586 1.800 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1722699249 STMXKHGTNIJEGC-GVDBMIGSSA-N 421.567 1.499 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1722718811 NJYFXDAXNSQMJX-BEFAXECRSA-N 412.556 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC)[C@@H](C)C1 1722749161 FIWJOGOHUAQSMN-HNNXBMFYSA-N 407.540 1.978 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1723646477 AQPXISIWWXUNMQ-WMLDXEAASA-N 412.450 1.044 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CCO1 1726723436 QACLJNXIDOKZKM-VQIMIIECSA-N 413.478 1.759 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1CCO[C@H]1C=C 1740395732 MZGNYZICBBEQJZ-MTSZKFMLSA-N 404.511 1.089 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCNC(=O)c1ccco1 1740614263 KZYJCSODHRWCQF-UHFFFAOYSA-N 409.446 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC 1740657082 OULDTQDSJCSJMD-KRWDZBQOSA-N 407.540 1.264 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(n1)CCCC2 1740688715 UKFNKLJAPGRTLX-UHFFFAOYSA-N 422.533 1.809 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1740729301 CPPBVXBEKVRDCA-NPPFBWRTSA-N 413.570 1.247 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740886575 LKFIJPVLNMWTQF-IRXDYDNUSA-N 416.526 1.241 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1740946465 SPPIXECLRCJXJE-KRWDZBQOSA-N 415.519 1.858 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740954125 CMBSCMLJGGIMDR-NRFANRHFSA-N 415.494 1.923 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1741129126 JWDFHOZCPFDGCP-HOTGVXAUSA-N 409.498 1.675 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1741705151 ZFMLZOICAYFOGF-OAQYLSRUSA-N 418.542 1.973 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CCO1 1745000123 DXEAGPMCQLEZOW-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1748779651 RWZDDOYYLDJZPX-UHFFFAOYSA-N 421.509 1.101 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1748920945 VNGNVYPTCZPUQA-UHFFFAOYSA-N 402.524 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CCC)OC)CC1 1749009779 LKJHKTXMHDEFLP-OALUTQOASA-N 417.554 1.953 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749043047 CWNLRXKTLJANAZ-MRXNPFEDSA-N 418.567 1.262 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1749573754 JWKYDTJLHGZAAY-QGZVFWFLSA-N 415.519 1.882 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1749597429 GKJHGCFKCATDDC-INIZCTEOSA-N 404.515 1.271 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C#N 1749727073 MJCHVYYTIAAPIL-AWEZNQCLSA-N 417.491 1.870 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1749825089 SZHIICSXGWCQNM-UHFFFAOYSA-N 403.487 1.208 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1749946746 FJOBOFHTPXTKHN-OAHLLOKOSA-N 411.466 1.018 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1751015983 UZCKDUNXIHQKCQ-UZLBHIALSA-N 402.499 1.337 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)CCOC1 1751026334 NPHSVPUDJZPLQU-YLJYHZDGSA-N 404.515 1.143 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760135131 JQNRSQHNHMNJTI-QGZVFWFLSA-N 416.551 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCN(CC)CC1 1760199603 BBEQSXMMWHNESJ-HXUWFJFHSA-N 415.545 1.916 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc21 1760201945 ODCRSROAKVINTA-MJGOQNOKSA-N 402.502 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cnc2ccccc21 1760217423 AOMFSWIOZOCOSD-SFHVURJKSA-N 401.474 1.742 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1760230696 BBFVSFNEYNBUFE-UHFFFAOYSA-N 408.553 1.111 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1nncn1-c1ccccc1 1760248725 CZYLCDLMVMAUSQ-GOSISDBHSA-N 421.505 1.887 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1760357969 LMLSRLNQEFCMLU-UHFFFAOYSA-N 411.514 1.437 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(C)C)CC1 1760525933 XNQMBRLAFWXABS-UHFFFAOYSA-N 417.583 1.903 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1761360894 WCTUKXJEQQPOAV-OAHLLOKOSA-N 424.509 1.910 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCn2cncn2)c1 1761728966 FZUWFWRCTFUJTR-QGZVFWFLSA-N 408.466 1.494 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762452043 VLLDSSXDLHPIFJ-FZFLATATSA-N 424.509 1.655 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1768669147 PGNDBKXRNAAOLM-DLBZAZTESA-N 413.478 1.966 30 10 HDEE CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1770614096 UJUBMIVHXTUHKC-CYBMUJFWSA-N 406.537 1.751 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2C[C@H]2CCC(=O)N2)c1 1770746744 MWXGUEPWMPUXQI-DOTOQJQBSA-N 407.478 1.187 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCc1cnn(C)c1 1771281531 KVEPQLOECUQWNZ-NJAFHUGGSA-N 401.515 1.964 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1771320305 JAEBTSZJJANDHL-UHFFFAOYSA-N 400.483 1.837 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccs2)C1 1771528776 DQLHHMYMUDQLTA-ACJLOTCBSA-N 404.471 1.715 30 10 HDEE O=C(CN1CCN(C(=O)OCc2ccccc2)CC1)ON1C(=O)c2ccccc2C1=O 1772786110 ABHKNPNZNSMZTQ-UHFFFAOYSA-N 423.425 1.695 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)C2)no1 1849035064 YMGKGSIEVFPMFT-UHFFFAOYSA-N 409.446 1.639 30 10 HDEE CCCn1c(C(=O)N[C@@H]2CCc3c(C#N)cccc32)cc2c(=O)n(C)c(=O)n(C)c21 1851466426 MCCIRSLURHZRPB-QGZVFWFLSA-N 405.458 1.738 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C2)c(C#N)c(C)[nH]1 1851588463 RZLCDVMMOHLOQL-LBPRGKRZSA-N 401.373 1.353 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)NC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 1852713511 XGJVASNLEFNBBO-GUYCJALGSA-N 410.879 1.390 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1853683741 ZDPUPFPJZZQJES-VQTJNVASSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nccc3ncccc23)C1=O 1853804311 GZVQUFDQTKRCHU-MSOLQXFVSA-N 407.474 1.480 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854547205 RKQWMDGCEKRTIR-AEFFLSMTSA-N 409.552 1.359 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn([C@H]3CCOC3)c2)CCN1Cc1ccc(C#N)cc1F 1855015629 WXXYKCQVCUSVMM-KDOFPFPSSA-N 411.437 1.728 30 10 HDEE COCCOc1cncc(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c1 1855075603 OZHZIHCLSFYYHZ-HKUYNNGSSA-N 412.490 1.864 30 10 HDEE C[C@H]1C(=O)N(C(=O)CSc2ccncc2)CCN1CC(=O)c1ccc(C#N)cc1 1855147263 QCIVSZVQMAZPST-HNNXBMFYSA-N 408.483 1.988 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1855438281 ZSIWLHWRYUBDPZ-CQSZACIVSA-N 418.444 1.647 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C1 1856096503 KJGIDJTWONORDT-JKSUJKDBSA-N 404.536 1.780 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CC[C@H](S(=O)(=O)c4ccccc4)C3)C2=O)cc1 1856457554 ZOEUPKYICGDKQG-PMACEKPBSA-N 423.494 1.848 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)COc3ccnc4ccccc34)C(=O)C2)C1 1856848828 SZEWNVYLGYKLSZ-SFHVURJKSA-N 408.502 1.935 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)CCn2nnc3ccccc3c2=O)C1 1857017421 VYTURFOEWTXUSR-IAGOWNOFSA-N 409.490 1.597 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)C[C@H]3CCC(F)(F)C3)C2=O)C1 1857108541 WIWRACSYDBVCJR-CZUORRHYSA-N 404.417 1.969 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN([C@@H]3CCCCC3=O)C3(CCCCC3)C2=O)CC1=O 1857117473 PRTAXSQMGCJNDV-QZTJIDSGSA-N 415.534 1.906 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c3c(nn2CC)CCC3)C1)[C@H]1CCN(C)C1=O 1857264605 ZESLQDQQAOUHDS-YJBOKZPZSA-N 413.522 1.099 30 10 HDEE COc1cccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)no2)c1 1867146718 NAXFRFGHSQZBII-SFHVURJKSA-N 406.398 1.951 30 10 HDEE O=C(NCCCCCO)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931853 JXYDDELZYOMDKR-GOSISDBHSA-N 415.515 1.615 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc([N+](=O)[O-])c1 1874432348 ANEOFHIFNQGATF-AWQFTUOYSA-N 419.467 1.323 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)CCC(F)(F)F)CC2)CC1 1889487666 MKKPOJWGNMCCAC-UHFFFAOYSA-N 411.490 1.000 30 10 HDEE C#CC1CCN(C(=O)c2cc3c(=O)n(C)c(=O)n(C)c3n2Cc2ccccc2)CC1 1890926485 JPGHCLXYDMJROF-UHFFFAOYSA-N 404.470 1.572 30 10 HDEE CCCCCCCCC=CCCCCCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 1933250467 QEUIGPGHVGGFQM-MXEMCNAFSA-N 417.587 1.796 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)[C@@H](C#N)C1 1985203114 QSQYLJIWDPORIE-OALUTQOASA-N 415.538 1.678 30 10 HDEE COC1(CCNS(=O)(=O)c2ccc(C#N)s2)CN(C(=O)OC(C)(C)C)C1 2118167633 PDUFFSZLNQDRIT-UHFFFAOYSA-N 401.510 1.924 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2174778904 COYCYGLGMUWFST-PMPSAXMXSA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)N1CCC[C@H](C#N)C1 2174781732 IOXHERPFUOXCPV-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784560 PJCZPHIIAMOAQM-HUUCEWRRSA-N 400.545 1.949 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC[C@H](O)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177635062 LUBMQEZZXGKGPS-YPMHNXCESA-N 402.347 1.009 30 10 HDEE N#CC1(CS(=O)(=O)N=c2[nH]ccnc2I)CCCCC1 2178136984 GDNOKDVSQGSURT-UHFFFAOYSA-N 406.249 1.719 30 10 HDEE C#CCN(C(=O)C(CC)(CC)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180116899 GABLPTDEAJEJKN-OAHLLOKOSA-N 400.541 1.966 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)C1 2243277878 DPKRAJBDWOXGQT-QOLBRVKBSA-N 423.510 1.701 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243424918 ZXBAOXSBNNQRHW-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247825552 GERMEQCRWNAPID-IMRBUKKESA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247862752 GVMKHRYWUNOWLW-UHFFFAOYSA-N 421.303 1.938 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247916723 CRYZOOJBGHDCQO-TZMCWYRMSA-N 420.319 1.742 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247918148 NDHUSJCALZDWDV-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255665482 GWFNMMCZYOATSU-APWZRJJASA-N 424.354 1.970 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=[S@@](C)(=O)C3CNC3)c2Cl)OC1(C)C 2267108059 FEDUSHHESLFIQO-VWLOTQADSA-N 404.750 1.911 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCC34OCCO4)cc2)OC1(C)C 2267417800 YWBCMNRHPVIYSM-INIZCTEOSA-N 409.313 1.560 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CSC[C@H]2C(=O)O)OC1(C)C 2269038267 XTEYSEWPCUNDKK-JTQLQIEISA-N 405.328 1.196 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@H]3COC[C@H]3O)sc2Cl)OC1(C)C 2281968757 FWTXKPCWXLVWDH-CMPLNLGQSA-N 401.721 1.828 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@H](C)CC1 2282316637 GANQWFRTQUBNLF-GFCCVEGCSA-N 400.375 1.728 30 10 HDEE COC(=O)[C@H](C)CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335559 QZCVWJHZJMEDAZ-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CN(C)C(=O)CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282349929 FSFKCZXJMXIKKH-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE Cc1ncc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)s1 2282500676 MFLHYLQIMJBFAE-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@](C)(O)C2CC2)OC1(C)C 2282508199 SGNGVJRWVSXNLT-INIZCTEOSA-N 402.347 1.023 30 10 HDEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282643018 VMIJHWJAOOTMNB-JTQLQIEISA-N 419.761 1.960 30 10 HDEE CC[C@@](C)(CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC 2282835396 UKSQYVDAIWSZBF-INIZCTEOSA-N 404.363 1.677 30 10 HDEE Cc1cc(S(=O)(=O)N2CCNC(C)(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282835783 BIOYEQHPNYNKJF-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H](C)C2CSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282867422 YOUJOHVAKKRLOK-JTQLQIEISA-N 401.363 1.058 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2282870123 NFZXKDZOFBFJRE-ABAIWWIYSA-N 401.721 1.641 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H]2CCN)OC1(C)C 2282882458 LXKLYEQKDVZIHY-ZDUSSCGKSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC[C@H]2CN)OC1(C)C 2282884268 MDBLQDFMTROUIG-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE CCCOc1ccc(C=NNC(=S)NCCN2C(=O)CSC2=O)cc1OC 2318776743 VDYQCDXXHKSPNO-UHFFFAOYSA-N 410.521 1.977 30 10 HDEE COc1ccc(C=Nn2c(S)nnc2CNC(C)=O)c(Br)c1O 2321937646 NIDHDDOMLWDVGO-UHFFFAOYSA-N 400.258 1.562 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(OC)c(O)c1 2330796668 XDEUGLHDXMYXNP-UHFFFAOYSA-N 421.479 1.556 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2c(Br)c(Br)nn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c1ccccc1NC(=O)c1ccc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)cc1 12029994 YDUQKUATJPMAAY-INIZCTEOSA-N 404.469 1.771 30 10 HDEE COCCCNC(=S)N/N=C1\C2CN3CCN(C2)CC1(Cc1ccccc1)C3 20221023 MROBYJBNYQCUFQ-FCDQGJHFSA-N 401.580 1.333 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 27902218 ADMKSBJKZWFZMU-IRXDYDNUSA-N 418.538 1.189 30 10 HDEE COc1cc(Br)c(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)cc1OC 33499113 SNLYWTGNJQVMDG-JHJXWGGOSA-N 416.253 1.863 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 96546421 WSJZGILPRKGYSV-UWJYYQICSA-N 401.463 1.704 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2cccnc2)/C1=C(/O)c1ccc(F)cc1 103091094 ODZIGACSOZZZTR-HQMFNGAOSA-N 411.433 1.975 30 10 HDEE C#CCN(CC(=O)Nc1cc(Cl)c(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 111192833 VUKDWMNCZNJNMP-LBPRGKRZSA-N 400.884 1.418 30 10 HDEE CCOc1cc(/C=N/Nc2nnc(C)c(=O)[nH]2)ccc1OCC(=O)N(CC)CC 169887838 JYKAQKDEVOCMJZ-RGVLZGJSSA-N 402.455 1.565 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CC2)nc1 436689428 NYOFVFZQTCRWCZ-SFHVURJKSA-N 405.458 1.612 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3ccccc3C#N)CC2)c1 441906773 OARXOQAOLUNVLC-UHFFFAOYSA-N 416.478 1.862 30 10 HDEE CCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 446636233 FHAAULYHEIPODM-CGZBRXJRSA-N 406.508 1.862 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCOCC 460936305 XYOLOACRZNKOJA-HNNXBMFYSA-N 401.533 1.050 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 467051411 ONPYJCXQOJZBIB-UOJCXKCYSA-N 405.476 1.025 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CC(=O)N(CCC#N)CCC#N)C1 470368878 GLVCOAZGVRTLRL-HNNXBMFYSA-N 401.433 1.765 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C(F)(F)F 476804385 JICSHFQSLSXYLZ-HNNXBMFYSA-N 424.379 1.412 30 10 HDEE Cc1ccc(CN(CCO)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)o1 478389774 NWIONHFGORQQRA-GOSISDBHSA-N 410.430 1.686 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)nc1 492165833 CHMHOWDAGRFSPU-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE N#Cc1cnc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(Cl)c1 500970309 KQIXNPRZPFOHDX-UHFFFAOYSA-N 402.863 1.824 30 10 HDEE CCCn1c(O)nnc1SCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 502901206 DGESOAHCMWNCAT-ZDUSSCGKSA-N 406.537 1.956 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1 511456406 XSTBBWHPMPUHBM-UHFFFAOYSA-N 402.451 1.568 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)CC1 516695033 NPCPOBIHYBOJLR-UHFFFAOYSA-N 422.411 1.346 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(CN4CCOCC4)cn3)CC2)cc1 519565333 DHSYSUPLGAXEOF-UHFFFAOYSA-N 405.502 1.743 30 10 HDEE Cn1cc(I)c(=O)n(CC#Cc2ccccc2Cl)c1=O 537653940 ITWATNFCGPSMFS-UHFFFAOYSA-N 400.603 1.857 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1 539505886 MRWWRINKHSGRMM-KGLIPLIRSA-N 404.496 1.619 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 548113177 IESPOKRMAMVYSS-UHFFFAOYSA-N 413.521 1.025 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)C1 554339882 CIQBYVIOFOIASX-CEXWTWQISA-N 419.551 1.739 30 10 HDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 561517324 OCRGZUYRMHGRQD-UHFFFAOYSA-N 423.516 1.604 30 10 HDEE N#CCNC(=O)CNC(=O)c1cccn1-c1cccc(I)c1 578869234 VIJJDJDUTMDAJL-UHFFFAOYSA-N 408.199 1.451 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)/C=C/c1ccco1)N1C(=O)c2ccccc2C1=O 585830921 JJOSQJHQDCQUEB-UPMSMEQASA-N 421.453 1.641 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(c3cccc(F)c3C#N)CC2)C1 603601831 LXJVAPRNLMMZDZ-GOSISDBHSA-N 417.529 1.292 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cnn(-c4ccncc4)c3)C2=O)cc1 609604804 BVHYFUPYWLPIGZ-SFHVURJKSA-N 415.413 1.983 30 10 HDEE N#Cc1cc(CS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cn2)ccn1 610953813 FJYCJGUKIARXOM-UHFFFAOYSA-N 406.489 1.497 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3CC(=O)CC4)CC2)cc1 685571671 DTDMXSJDRKSZCM-UHFFFAOYSA-N 423.494 1.763 30 10 HDEE Cc1cccc(N2CCN(CCCNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)c1 732673652 CRDKOCBPVWDLRX-QFIPXVFZSA-N 410.566 1.889 30 10 HDEE C#CCCNC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 733246636 MLZCSQVUROROKH-HNNXBMFYSA-N 400.504 1.684 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 740737186 DBIUUGAZBVWAJA-QGZVFWFLSA-N 422.551 1.296 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1 749933742 HNFOWOJNGJSYAO-QGZVFWFLSA-N 402.432 1.840 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 756658180 IYBXVWYOOPXNIF-HMMYKYKNSA-N 420.451 1.876 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCN1C1CC1 764261563 QXSFMSDNPXCLBV-AWEZNQCLSA-N 421.270 1.676 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 766235120 XIOCOJCTRCRMLB-INIZCTEOSA-N 423.491 1.530 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 767701801 CFZIBFXNPMRVNM-OAHLLOKOSA-N 412.483 1.804 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)c1 770242511 SJFIYGGYZXFYCG-UHFFFAOYSA-N 404.419 1.819 30 10 HDEE C#CCN(Cc1nc(N)c2c(C)c(C(=O)OCC)sc2n1)[C@@H]1CCS(=O)(=O)C1 772201546 QHOXEDIEYWJBDE-GFCCVEGCSA-N 422.532 1.381 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 774171148 CDVVWWRTEJNYJB-INIZCTEOSA-N 423.510 1.119 30 10 HDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CCCC#N 784125757 SCTKNSHHWIRKGJ-KRWDZBQOSA-N 417.535 1.998 30 10 HDEE COc1ccc2[nH]cc(C=NNC(=S)NCCCN3CCOCC3)c2c1[N+](=O)[O-] 785450004 VAHUZEOYXABVEK-UHFFFAOYSA-N 420.495 1.605 30 10 HDEE CN(C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(C)(C)C#N 796427020 VKGKGHARNZRINT-YOEHRIQHSA-N 403.483 1.412 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C(=O)N(Cc3cccs3)C2=O)CC1 798229141 ABLXQPJIAGKGTI-UHFFFAOYSA-N 410.459 1.085 30 10 HDEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)no1 798245060 ROCCROKRZHCTOJ-HMMYKYKNSA-N 406.420 1.526 30 10 HDEE COc1cc(C)c([C@@H](C)NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798742027 YYLHJPFMQAHBDC-CHWSQXEVSA-N 401.423 1.457 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)cc1 802585147 VCHIOLBNRAJUKA-INIZCTEOSA-N 407.417 1.932 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 803418868 VGPBDSGNYISNFC-FMQUCBEESA-N 404.417 1.920 30 10 HDEE COC1(c2ccccc2)CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 804913116 ITJBUOBLRFWTCI-OAHLLOKOSA-N 413.499 1.888 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 812175891 XIKXZQDUIPFVLQ-AWEZNQCLSA-N 406.487 1.099 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc(C)nc1N 816575873 BFPOLKFTXKJJDQ-HNNXBMFYSA-N 416.507 1.281 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 1084278479 LKIDZCNYORXEGE-UHFFFAOYSA-N 407.364 1.774 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1132491814 VXGWGXIGJUMLNR-PMACEKPBSA-N 409.483 1.670 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1135541194 BHMFDFWMKYYGCY-UHFFFAOYSA-N 420.512 1.104 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCNS(=O)(=O)N(C)C)s1 1157121791 XMQOFMNIIALGIZ-UHFFFAOYSA-N 412.990 1.351 30 10 HDEE O=C1C=COC2(CCN(C(=O)CNC(=O)c3c(Cl)cccc3[N+](=O)[O-])CC2)C1 1157544680 KJCSVHHTAPZIIY-UHFFFAOYSA-N 407.810 1.842 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1158159281 ZWKVSLFDJUQSAI-BPLDGKMQSA-N 417.491 1.623 30 10 HDEE Cc1ccc(C[C@@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1C 1160896894 SWGYPASHDCODIM-IBGZPJMESA-N 415.515 1.747 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@](O)(CC)CCC(F)(F)F)cc1 1179438185 WBOCTLKVGGPLBN-INIZCTEOSA-N 406.426 1.812 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(C#N)cc2)cc1F 1192466995 BHJIAPYDCDWSIS-UHFFFAOYSA-N 411.480 1.980 30 10 HDEE C=CCN1CC[C@H](N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)C1=O 1197760896 XWZCWTPKCGNQSN-FAPUVCABSA-N 407.511 1.552 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1224229612 GSRVYCAVRUXNNZ-UHFFFAOYSA-N 406.552 1.367 30 10 HDEE C#CCN(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1229032113 QCISHAYRYWUPNC-HUUCEWRRSA-N 401.529 1.512 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(CC#N)cc2)C1 1252307843 JGJOQDNUYFTXND-GOSISDBHSA-N 408.524 1.335 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)C1 1254607006 BGOFNKNZDIIQJP-LJQANCHMSA-N 402.495 1.790 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC[C@H]4C[C@H]3CO4)CC2)cc1 1255930164 FVICOEOANPWCMU-SQNIBIBYSA-N 418.519 1.389 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N2CCOCC2)nc1 1286379463 SNXOJHSTBRTOAM-UHFFFAOYSA-N 420.521 1.489 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286386731 GNKHIXIHVQWIJU-VQIMIIECSA-N 403.508 1.128 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1286390537 AQALMLCBYIYOJG-OXJNMPFZSA-N 419.551 1.041 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1286446049 COGXECWJSHENCI-FXAWDEMLSA-N 411.506 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ncc(CC)s1 1286465686 QTAADWVCAKSVMI-HNNXBMFYSA-N 402.524 1.577 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC[C@H]2COCCO2)CC1 1286483209 BYWDSOWLPNQOID-NRFANRHFSA-N 409.534 1.624 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286710723 BZDBDJIWJXWQSN-KRWDZBQOSA-N 400.483 1.274 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1286720989 YDSDKXXVYKHPOV-MRXNPFEDSA-N 409.498 1.264 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCC1 1286820405 LAIZGFMBKXRHRD-KRWDZBQOSA-N 404.492 1.992 30 10 HDEE C[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)COCCO1 1289053520 YKJJDIPYKQATMR-FQEVSTJZSA-N 402.499 1.450 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCc3ccc(C#N)cc32)C1 1296001063 YIYRPLBUSJAONY-MRXNPFEDSA-N 419.503 1.872 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccnc2-n2cnc3ccccc32)C1=O 1298209990 CEBAVMDCXWAELX-UHFFFAOYSA-N 418.413 1.014 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCSCCCO 1298283457 DQHKWIHZBOSUKU-KRWDZBQOSA-N 414.535 1.853 30 10 HDEE Cn1cc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)cn1 1298825456 ATHNRJUYEQVJFW-UHFFFAOYSA-N 404.478 1.509 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1300432038 AQPSPCXHPVKUKJ-KRWDZBQOSA-N 411.510 1.496 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1300487274 IPCYIPXOJNXBHK-IAGOWNOFSA-N 413.503 1.312 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1300580332 AYAXBMQZLSOGKX-MJGOQNOKSA-N 420.521 1.095 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1300588601 SHTDWNAVVRABQB-KRWDZBQOSA-N 403.555 1.934 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1cc(C)oc1C 1300663681 CYZGGUNGKWYCPW-NRFANRHFSA-N 412.494 1.882 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2cccn2)CC1 1300731069 AYNWDNOSFRJWNJ-UHFFFAOYSA-N 415.567 1.896 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1300762620 KPVWZFIXQBZNDI-SHARSMKWSA-N 400.545 1.731 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300767165 SFKLEEZCENJJPU-UHFFFAOYSA-N 417.579 1.672 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@@H](C)CCC)CC1 1301087169 WQGKEJJBVZNKEQ-IRXDYDNUSA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1301498899 UYKXKNABHLJTIK-GJZGRUSLSA-N 413.544 1.081 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CS(=O)(=O)NC)C3)n[nH]2)c1C 1301957891 LLKHXRIZJGLYFD-OAHLLOKOSA-N 420.539 1.477 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1cncc(C#N)c1 1303863993 MTTRBWMJPYUSIK-QGZVFWFLSA-N 404.517 1.670 30 10 HDEE CNC(=O)NC[C@H]1CN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 1307936921 OQHMKZTVVZSRJJ-HKUYNNGSSA-N 401.511 1.568 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1308143238 XVXIUZHCVWYANW-INIZCTEOSA-N 423.535 1.187 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1313549250 XHSYJYCURFSZMZ-AEFFLSMTSA-N 421.505 1.257 30 10 HDEE CN(CC1CC(F)(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1314781726 DFPLBOSLLRQHRH-UHFFFAOYSA-N 424.477 1.847 30 10 HDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1315779211 BZZDDXAFNXXQSP-BMGDILEWSA-N 413.478 1.459 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1316358963 NSIDLJFKLSVNDZ-GOSISDBHSA-N 424.477 1.389 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(O)n2)cc1 1356317824 BPEOYEFSFUAVPY-LTGZKZEYSA-N 405.480 1.971 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1358869214 DAGVXIWDBNQNRS-MRXNPFEDSA-N 422.489 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1358890832 WBZMBAZQLJZIRN-QWHCGFSZSA-N 405.471 1.114 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1358911678 ANDLFPNCMKVVPQ-KRWDZBQOSA-N 404.540 1.744 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1359013199 OPOQIJYWSNSISH-KRWDZBQOSA-N 404.540 1.424 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccnc(SCC)c2)CC1 1359034375 NWUQJXIBBNRMOP-UHFFFAOYSA-N 422.562 1.989 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2noc(CC)n2)CC1 1359036907 NVLDXBYDMFXCIV-UHFFFAOYSA-N 423.496 1.951 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359054275 PQMXBSDFHCJFBD-MRXNPFEDSA-N 416.551 1.819 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359158157 HRNQGHIGDMETHR-KKUMJFAQSA-N 418.947 1.768 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCSCC2)CC1 1359159280 RUNQISWDORXPRS-HNNXBMFYSA-N 414.601 1.094 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccc(C)cc1 1359240022 DFTZXHAVICTKJW-KRWDZBQOSA-N 417.535 1.541 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCc1ccc(S(C)(=O)=O)cc1 1359243437 RWYQVYMZFQVIAZ-UHFFFAOYSA-N 417.535 1.669 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359289210 LNYFJUCMRKCOBV-ZDUSSCGKSA-N 404.496 1.733 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](n2cncn2)C1 1359303348 KYIMVIKMNXXHTO-IBGZPJMESA-N 420.521 1.799 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C2CC2)C1 1359322326 TVCLUVGMOCBYQD-OGWOLHLISA-N 410.540 1.123 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCSC1 1360474202 JGRVOYWOAVWZKQ-KZULUSFZSA-N 404.496 1.612 30 10 HDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 1360784565 HHMWVCLSUYTXJT-IERDGZPVSA-N 415.542 1.470 30 10 HDEE CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1436269066 ATXAOKRBOMQSMH-IKGGRYGDSA-N 412.446 1.611 30 10 HDEE N#Cc1ccc(C2(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CCOCC2)cc1 1438364516 KLIYKCIJPXKYEC-UHFFFAOYSA-N 412.471 1.178 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1440687830 XFSOBOPJXYBJJP-SFHVURJKSA-N 413.522 1.205 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@H](OCC)C1(C)C 1446636737 VSPIFTKJMUOJSZ-LIRRHRJNSA-N 418.556 1.802 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2csc(C#N)c2)CC3)CC1 1449275112 VFMXUEGJTVKZLA-AWEZNQCLSA-N 412.519 1.196 30 10 HDEE CN(CC(=O)NCC1(C#N)CCC1)S(=O)(=O)c1ccc(Br)cc1 1451662208 AKSYHVLRMQLNPO-UHFFFAOYSA-N 400.298 1.880 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(n4cccn4)CC3)CC2)cc1 1456422575 FHUALYXUARSDOC-UHFFFAOYSA-N 413.503 1.461 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1457027230 CMIYRWSKNQPDEN-CVEARBPZSA-N 412.450 1.819 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C[C@H](O)COc2ccccc2C#N)C1 1460874741 GYBSGZBPMKWRHJ-LAUBAEHRSA-N 405.495 1.650 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H]1c1ccnn1C 1460982878 LRKPZULJXOTAQW-WMQCIHAUSA-N 407.474 1.774 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1467002908 RACNTVRAWIMPRL-INIZCTEOSA-N 407.492 1.136 30 10 HDEE C[C@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1469156512 BNIOYBHTOKISNY-YJBOKZPZSA-N 410.478 1.173 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1469996360 IFQKDHRESZQKFN-OAHLLOKOSA-N 406.280 1.724 30 10 HDEE C#CCN(C(=O)CC(=O)NCC(F)(F)F)C1CCN(C(=O)OC(C)(C)C)CC1 1471882818 UVXKKRPENNWUKQ-UHFFFAOYSA-N 405.417 1.916 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)O2)[C@H]1C 1471929348 JVYOUJHKBMWWID-WFTHSTBKSA-N 410.467 1.825 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)c1 1471930121 ZJBTXJOGRSNNNT-MZRZTIOWSA-N 408.520 1.853 30 10 HDEE CN1CC[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@H](c2cnn(C)c2)C1 1471984291 SYSUGVVPKUALOA-AABGKKOBSA-N 407.522 1.825 30 10 HDEE Cc1ccc(NC(=O)[C@@H](C)N2CC[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1473663944 WCTKRGDWYCIPAI-OXQOHEQNSA-N 420.535 1.579 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 1475667308 DPSZIFUTBINBIV-AWEZNQCLSA-N 403.426 1.355 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(Br)c(C#N)n1)CC2 1476945561 BOMZQQHLTKHAOK-SECBINFHSA-N 406.244 1.590 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1=O 1503672016 DYZRYCNEVKDHIU-OPAMFIHVSA-N 421.505 1.387 30 10 HDEE CN1C[C@](C)(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1503674941 NJBKLZLAKMUYSE-PGRDOPGGSA-N 408.506 1.660 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C[C@@H]1O 1505268317 REVSXYRLTFDCPW-XLIONFOSSA-N 410.522 1.746 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1507622897 MSOCZACETNMJEE-ZBFHGGJFSA-N 404.540 1.509 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1507849312 VZVNCUCEVCOJCW-DYESRHJHSA-N 421.542 1.626 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(OC)cc1OC 1508057643 IJHLSOJWRKHQPL-MRXNPFEDSA-N 401.467 1.431 30 10 HDEE C=CCn1c(N2CCS(=O)(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1508067449 LFDCQYFWNHUSRY-OKILXGFUSA-N 411.528 1.470 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)NC)C1 1508082798 XHDJESZTBYIHSV-HNNXBMFYSA-N 412.494 1.218 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1C(C)(C)C 1508097599 JCXANLZVRHBYKO-MRXNPFEDSA-N 417.558 1.460 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NC2CCCCC2)C1 1508108774 LJSCDSMKFNTUGP-KRWDZBQOSA-N 418.542 1.647 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C(C)C)C1 1508138989 BNLDMBLRBCVNRQ-MRXNPFEDSA-N 424.596 1.857 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1512465125 NKXZFUDYNVCSRV-BCHHYXHLSA-N 418.523 1.250 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1513657979 LGHMFELTLWDXJN-KRWDZBQOSA-N 418.523 1.176 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1515940692 ZQTLQIOXAZHNSJ-ZWKOTPCHSA-N 416.574 1.385 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N(C)C[C@@H](C)C#N 1519353003 CLLQGBVWKVNOCJ-RDJZCZTQSA-N 400.483 1.846 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NCc3nc(C#N)cs3)cc2[N+](=O)[O-])CC1 1538517635 PTFPVTIQXDKCGB-UHFFFAOYSA-N 414.447 1.521 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539202663 JYGHTRZXSZSUOP-WBVHZDCISA-N 404.540 1.623 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)CC 1539306939 NJIJAOHCSHFEOS-UHFFFAOYSA-N 400.504 1.851 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)[C@H](C)CCC)CC1 1539453375 IZNIWZFSESSWFQ-LJQANCHMSA-N 423.565 1.572 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(CC)CC)CC1 1539512559 CUCUJWHCWWVQSX-QGZVFWFLSA-N 404.584 1.906 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)N(C)C)CC1 1539640779 JNJWOSLYEIZCML-YLJYHZDGSA-N 420.558 1.006 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1540033435 IKORSZOXBVQWND-ZDUSSCGKSA-N 417.432 1.716 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCN(c4ccc(S(N)(=O)=O)cc4)CC3)ccc12 1540816932 XLNOFFHKTMZDLE-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1540872198 GRUDMRIVCGZGGX-JKSUJKDBSA-N 415.425 1.424 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccoc2)nnc1[C@]1(OC(C)C)CCOC1 1540876675 XZMBCXLTQSFHPO-FQEVSTJZSA-N 403.483 1.850 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1541803088 CDWDUFLYQRZRES-RBSFLKMASA-N 416.448 1.783 30 10 HDEE C[C@H]1CN(CCCn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1545091320 FGBFCEVXJRKZIC-KURKYZTESA-N 417.558 1.752 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)CCCOC 1546532467 MGWAEERBLCIXSD-UHFFFAOYSA-N 412.542 1.402 30 10 HDEE CCCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547072725 BRMSPFNQPYSAII-KRWDZBQOSA-N 403.531 1.410 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3CCOCC3)[C@H](C(N)=O)C2)cc1C(F)(F)F 1548367985 CLDCEPVSRLWNFV-INIZCTEOSA-N 410.396 1.506 30 10 HDEE C=CCC[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OCC 1556642737 VMSHVDWORWHQQL-ZDUSSCGKSA-N 402.444 1.038 30 10 HDEE CN(C)CC#CCNC(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1564481189 WSROWTDZBKXVOL-UHFFFAOYSA-N 410.515 1.233 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1568585588 UDMHWYIBYZCCFX-UHFFFAOYSA-N 400.460 1.593 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OC)cc2)ccc1Cl 1569718059 RSKLZAXHIQOTDN-ZDUSSCGKSA-N 422.890 1.898 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(CC#N)cc2)[C@H](C)O)cc1 1570705600 RZHDIHOYEKUHLL-KXBFYZLASA-N 401.488 1.405 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 1570722889 HAIDCUYPMBCSKD-HXUWFJFHSA-N 421.482 1.504 30 10 HDEE C#C[C@H]1COCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 1583612438 SPVIMVPPDHAAGX-HNNXBMFYSA-N 420.512 1.813 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)C[C@H]1C(F)(F)F 1586172538 QBRLHBXDOJILOO-UKRRQHHQSA-N 412.393 1.791 30 10 HDEE Cc1cc(C)nc(C2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1587191267 BQIUOOGWOQISDB-UHFFFAOYSA-N 413.503 1.538 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1587989585 KSJMRODZNHOSGX-GOSISDBHSA-N 401.536 1.382 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1588265416 ABYBLZXRGIDCPU-CQSZACIVSA-N 406.512 1.190 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1Cc1cccc(S(=O)(=O)NC)c1 1588638585 UHWLJNNXJJDFEC-UHFFFAOYSA-N 417.535 1.588 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCCO)CC1 1588929597 DLPWHVDTFJWSND-IBGZPJMESA-N 417.554 1.691 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CC)C1 1589568910 NBDAFGDXQOMDHC-ZWOKBUDYSA-N 403.527 1.997 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1595544863 NHTHJIVIUYGVRN-SFHVURJKSA-N 413.526 1.506 30 10 HDEE C=CCSCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1595905177 FZDOZSXLPNYGQO-UHFFFAOYSA-N 422.599 1.668 30 10 HDEE C=CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1595906192 ZNLNGCJLZXZRGT-HXUWFJFHSA-N 423.583 1.812 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CCOCC1 1596539705 UMXLBCSZVMYUFW-INIZCTEOSA-N 407.511 1.438 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(Cl)ccn3)CC2)c1 1596807850 RXRFMRBMRMYRSW-UHFFFAOYSA-N 418.906 1.609 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1c(F)cc(O)cc1F 1597410320 YBMVRGQUQZCARS-NSHDSACASA-N 409.414 1.568 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CC=CCO1 1608453303 GWCWHYBPHPIKSG-MRXNPFEDSA-N 423.477 1.296 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)Cc1cc[nH]n1)c1cc[nH]n1 1611544138 BGDBYGQYZPZBHO-UHFFFAOYSA-N 410.434 1.646 30 10 HDEE CCCn1c(CCC(=O)N2CCO[C@](C)(C#N)C2)nc2cc(S(N)(=O)=O)ccc21 1611671442 WMRKMJDDOHGVBG-LJQANCHMSA-N 419.507 1.167 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1611965332 UWZKONSKFWJPFT-HUUCEWRRSA-N 400.483 1.866 30 10 HDEE C#CCCC1(CCC(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)N=N1 1615612212 DMMGVLUWMIHLQL-KRWDZBQOSA-N 410.540 1.080 30 10 HDEE CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1O 1616151217 CYHDANDCUQMWGN-ADAARDCZSA-N 423.473 1.102 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)on1 1621615249 FPYAFPBAMRNQDJ-UHFFFAOYSA-N 404.448 1.229 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)cc1 1622538630 UVXQKFQJYIZNRH-UHFFFAOYSA-N 417.491 1.530 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 1622605759 PSDHKNFRSPSBNM-UHFFFAOYSA-N 403.426 1.906 30 10 HDEE Cc1ccc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1623983651 FOTKOLVDOXWBES-UHFFFAOYSA-N 422.356 1.402 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1626806991 ADEMGTMLOLUUTG-GJZGRUSLSA-N 404.410 1.756 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(O[C@H]2CC(=O)N2)c1 1629811179 GQNWJCLMXYJMDP-XIKOKIGWSA-N 414.443 1.089 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)NCC)cc1)C(=O)OCC 1632067209 LZQVLTYMRBTTTG-HNNXBMFYSA-N 402.900 1.718 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CCO)(CCO)CC2)s1 1632085416 XECJGJRBQHRNRD-UHFFFAOYSA-N 416.565 1.129 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1633861758 LGXVXFBGXALACC-CYBMUJFWSA-N 416.434 1.645 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1635548868 HJXVDIZEHZMWHJ-ZSZQSSIHSA-N 414.487 1.657 30 10 HDEE C#CCn1cc(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)cn1 1635750042 WXBIPZPRMVYPCK-UHFFFAOYSA-N 401.275 1.418 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)CC1 1635993423 NABWIKQKMLALOY-QAQDUYKDSA-N 402.564 1.873 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1636284432 QBDPBDLCLRSKNP-MRXNPFEDSA-N 424.494 1.448 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1)c1cc[nH]n1 1637417111 STFYTJMMLZXLIO-HNNXBMFYSA-N 404.398 1.513 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(CC#N)cc3)cc2)[nH]1 1638989557 XQEWSLJNHULBFT-UHFFFAOYSA-N 404.426 1.877 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 1641698210 IDNKBYUIDMVEOV-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)cc1 1642227877 YSJIFUSNKLIZIZ-UHFFFAOYSA-N 419.894 1.552 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)C4(C#N)CCC4)C3)[C@@H]2C1 1643335011 HEAPIUGOYHEJAT-KFWWJZLASA-N 404.467 1.721 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(c3ncc(C)[nH]3)CCOCC2)c1 1645504560 ZMQSBLDWVBIZSC-UHFFFAOYSA-N 401.488 1.951 30 10 HDEE C=C(CCN(C)C)C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1647989205 JXPFSRAULDHISY-UHFFFAOYSA-N 406.531 1.798 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3CCC[C@H]3C2)cc1 1649195675 OWZLTARSLCEGGN-SFHVURJKSA-N 410.499 1.618 30 10 HDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(OC)c1 1655078601 PDUPNZYNCIJQTM-ICSRJNTNSA-N 402.495 1.191 30 10 HDEE CN(CC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCC[C@H]1C#N 1655297458 XSAXEBANOCMKKQ-LEADFKJNSA-N 413.503 1.858 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1656152434 QGQUSDSEZOTPGF-UHFFFAOYSA-N 402.900 1.711 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)C1 1656884257 VICMJEOOVBGHRL-MRXNPFEDSA-N 413.565 1.359 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCS(C)(=O)=O 1666110849 OXRZGEWUOKDYIZ-UHFFFAOYSA-N 422.569 1.086 30 10 HDEE C=CCCSCCNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1669431658 PFKNWZYMSOMEDE-UHFFFAOYSA-N 401.558 1.182 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3)n2)CC1 1671397487 AFIDINFHRJFKGF-UHFFFAOYSA-N 422.898 1.143 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)C[C@H]2CCCO2)cc1Br 1671560829 GTGCOFKKEPBICJ-WDEREUQCSA-N 407.261 1.668 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1672282332 OUCNMIGPYWNWTE-MPGHIAIKSA-N 422.526 1.487 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 1672647405 FCEGOLNMMIWTKZ-ZDUSSCGKSA-N 417.247 1.856 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 1675126658 RUMJBAOGDFHLLS-INIZCTEOSA-N 420.872 1.755 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)nn1 1676054594 XAFOSFLICWLECN-GOSISDBHSA-N 411.466 1.804 30 10 HDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680779141 SHDVOZQQOPRMRC-VQTJNVASSA-N 417.469 1.785 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)n1 1683314981 DXZWFPBGSDMPSD-KBAYOESNSA-N 403.483 1.294 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CC1 1683823511 SPILVJLQLYWQHE-UAPYVXQJSA-N 404.536 1.540 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)c(O)nc1=O 1685124831 AJNUGJHJOUWQNJ-UHFFFAOYSA-N 410.478 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1689828602 QBXAYRTUTMZIGH-JKSUJKDBSA-N 415.469 1.874 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1689901541 MOJXEJHQJBSJCX-UHFFFAOYSA-N 414.535 1.742 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H](C)C1 1690032486 CBVFXBCBGWREPR-ROUUACIJSA-N 420.583 1.083 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690311382 JFKCOMXYJSBLMI-GHTZIAJQSA-N 405.543 1.676 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(CC)n2)CC1 1690648222 QLYBAHLRKOMUIC-UHFFFAOYSA-N 415.567 1.928 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccco2)n1Cc1ccc(C#N)o1 1692763829 HBGSMVLHBSTFDI-LBPRGKRZSA-N 404.452 1.631 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)C1 1692847248 XIWYMUUJBTTXLF-IBGZPJMESA-N 417.539 1.333 30 10 HDEE COCCOC1(Cn2c(CC3CC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1698180554 QNZOXFKWNIQZAV-LJQANCHMSA-N 407.490 1.885 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)CC 1705500875 BWSKKACNOGZSTN-HNNXBMFYSA-N 406.508 1.758 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1705531329 GCYJAENSBRQWDA-JOCHJYFZSA-N 419.489 1.307 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705532422 NLPDVCLBGRSGQE-MRXNPFEDSA-N 418.519 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1705574714 LLOMDUFVPMBZIR-JOCHJYFZSA-N 413.522 1.406 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1705638963 CLJQSQMEENWKKV-ZCNNSNEGSA-N 401.555 1.988 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705660861 JMORMIOKBXCAGA-KRWDZBQOSA-N 422.551 1.998 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1705732696 HTLBDJGGHXYUKV-GOSISDBHSA-N 415.494 1.498 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCOCC2)CC1 1705780617 TYGZWKABIXUDAA-QGZVFWFLSA-N 402.543 1.742 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC 1705880221 YPFIHUPODPVVIT-KRWDZBQOSA-N 423.539 1.849 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705943692 IKQCRIZFLSTBTP-QOIOWGMHSA-N 421.567 1.921 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1706632723 GUBVBCOMEZZCFQ-OAQYLSRUSA-N 409.494 1.433 30 10 HDEE CCc1nc(CCn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)no1 1708985281 GCTCMHPOKFKDFR-CQSZACIVSA-N 416.486 1.113 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@H](C)O1 1712289233 YHLOKCIFKPYNKL-KXBFYZLASA-N 412.494 1.583 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1722362943 PIAROLVZPCAIEU-CQSZACIVSA-N 408.911 1.872 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCCC 1722404912 GFSSRLTZNQJOFG-UHFFFAOYSA-N 403.508 1.334 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCC(=O)N(CC)CC 1722471260 DCQHRXLBYOQESJ-HRAATJIYSA-N 400.527 1.870 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)CCOC1 1723689629 IEVONGFGJSMETI-YRISNDGFSA-N 418.542 1.530 30 10 HDEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1723713622 PYKAWXYOWZWUFA-SFHVURJKSA-N 409.494 1.846 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1729706869 QRPUCGJIOPKILH-PGRDOPGGSA-N 424.505 1.727 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)c1 1730232329 FXLUSSXCTRDFCW-QXAKKESOSA-N 413.478 1.734 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1COCCO1 1740545551 AVMNYVUFIAIDSA-LSDHHAIUSA-N 418.523 1.112 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1740552992 PYSQBWFQJSZATN-DLBZAZTESA-N 407.584 1.760 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](C)C1 1740575573 UAYCZXYWYGLPCB-KSZLIROESA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1740609499 OMKWLISMUPFQFP-UHFFFAOYSA-N 402.462 1.526 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1740625410 QKUUSVGPWSLMRO-KRWDZBQOSA-N 419.576 1.865 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627039 ODVWXBMLKNXQCJ-FGTMMUONSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628322 PIFWIXZWSMIPLC-QZTJIDSGSA-N 423.583 1.173 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2sccc2C)CC1 1740688811 KEUDQNZZXPYRGI-UHFFFAOYSA-N 412.563 1.882 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN(CC)C2CC2)CC1 1740693221 VAPRFIDNEGDBKL-QFIPXVFZSA-N 416.570 1.170 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1740695326 NKRYCODYKPXOLA-AZUAARDMSA-N 411.554 1.885 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)N(C)CC)CC1 1740699022 SOBGDTAMOUTXOL-UHFFFAOYSA-N 410.522 1.133 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)C1 1740709626 PRYFDHNZVUVAPS-UHFFFAOYSA-N 400.508 1.907 30 10 HDEE C=C1CCN(c2nnc(C(C)(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1740818827 VZVANWQCSXSTQC-UHFFFAOYSA-N 408.528 1.840 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740847551 LSPMHKGGQYJLIY-SQNIBIBYSA-N 416.570 1.988 30 10 HDEE C=CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740873682 WZXHHGWPEJNARE-UHFFFAOYSA-N 413.526 1.220 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1Cc1cccs1 1740958100 IIBMEGHDDLUZNS-GDBMZVCRSA-N 414.535 1.804 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740959873 GJNILLQGUJBAQL-MSOLQXFVSA-N 403.527 1.870 30 10 HDEE CC[C@H](C)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)OC 1743535118 GZIDRQCPLGDLIK-QGTPRVQTSA-N 401.515 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1748640697 WYHFJIPJNRTEPR-JKSUJKDBSA-N 418.567 1.456 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1748791619 XYADJJWHBBMHOI-HNNXBMFYSA-N 404.492 1.315 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748811064 ATLCPJCZJIIVNU-DNVCBOLYSA-N 405.524 1.307 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc([C@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748818203 XHEVNNAVBJINTJ-YJBOKZPZSA-N 402.520 1.569 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1748825835 GPCZBGDENFGGIL-YYIAUSFCSA-N 407.540 1.165 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(OC)nc1OC 1748956131 KFVHPTMEURDUAS-UHFFFAOYSA-N 408.462 1.887 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC(=O)N(C)Cc2ccccc2)CC1 1748972390 HTKIWUWDRHELHT-UHFFFAOYSA-N 408.550 1.989 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1749028051 XXCPBFNWSXJTRM-UHFFFAOYSA-N 423.564 1.731 30 10 HDEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749122837 DHYHGBIZUMXOTD-HNNXBMFYSA-N 417.473 1.936 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749450949 YIRILZDVTUEKOS-ZWKOTPCHSA-N 419.526 1.491 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCC[C@H]2C)C1 1749713200 PYEZDVZXZASDCL-FGTMMUONSA-N 423.583 1.446 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749740947 LEXMKFSYSQIRIB-CABCVRRESA-N 420.539 1.368 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1760145325 MLUVWEBTBRFKBQ-CQSZACIVSA-N 403.508 1.570 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)nn(C)c1C 1760170720 NSJZPALFBDYGKH-UHFFFAOYSA-N 416.489 1.660 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCOCCN(CC)CC 1760294408 WCAMDBNIITUBOM-LAUBAEHRSA-N 402.543 1.580 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCO1 1761235682 HPVHTTNDYNUSJP-IAGOWNOFSA-N 401.515 1.162 30 10 HDEE CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1766064893 GYXHACJWPISADC-GJZGRUSLSA-N 420.539 1.931 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1772567003 DJGUPRCPMZFGDS-STQMWFEESA-N 403.405 1.589 30 10 HDEE N#Cc1ccc(CC(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 1850884931 ZHWMLFSWDDNGDX-UHFFFAOYSA-N 422.466 1.857 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)cnc21 1851736710 BMZAAYHRWHFARS-UHFFFAOYSA-N 409.471 1.592 30 10 HDEE C[C@@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)n1nc(C2CC2)ccc1=O 1852078380 NDFJXKWJPYJVRD-INIZCTEOSA-N 422.489 1.314 30 10 HDEE N#Cc1ccccc1OCC(=O)O[C@H]1C[C@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852665385 MGAOEIFDYUKWHG-OALUTQOASA-N 419.437 1.492 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCN(Cc4nnc5n4CCCC5)CC3)cnc2c1C#N 1852859196 BYYDSGHHIWXMJD-UHFFFAOYSA-N 419.493 1.104 30 10 HDEE CN1C(=O)[C@@H]2CN(C(=O)CCON=C(N)c3ccc(C(C)(C)C)cc3)C[C@@H]2C1=O 1853461858 GUTHWAXJFBYFFP-IYBDPMFKSA-N 400.479 1.084 30 10 HDEE COCC(=NOCC(=O)N1CCCC[C@H]1C)NS(=O)(=O)c1ccc(C)cc1C 1853479412 BVERHTFGSYNZIQ-MRXNPFEDSA-N 411.524 1.959 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cnn(C(F)F)c2)C1=O 1854082407 PNHJDEYLPYGUPT-GJZGRUSLSA-N 409.437 1.518 30 10 HDEE CCCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854322481 WHEVLANRXYNGCQ-QGZVFWFLSA-N 418.519 1.182 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)Cc3cccnc3)C2)CC1 1855836726 AZIKESBSVAVYLA-GOSISDBHSA-N 404.474 1.088 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C2)CC1 1855905771 GMEZTEOAVOYJOQ-MSOLQXFVSA-N 400.523 1.778 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@@H]2COc3ccccc32)CO1 1855929476 YOFTVVSXNQUWPX-GDBMZVCRSA-N 400.412 1.582 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC2(COC2)C1 1856084722 RLRVNYFHNYLRII-UHFFFAOYSA-N 404.488 1.726 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1(C)C 1856394789 IOQRWHSCUNZEHS-GOSISDBHSA-N 419.547 1.865 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ncoc2C(C)(C)C)C1=O)[C@@H]1CCN(C)C1=O 1856721780 KBCDOWDIJKSLHE-LSDHHAIUSA-N 402.495 1.822 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(C(C)=O)cc2)C1)[C@@H]1CCN(C)C1=O 1857055194 ATXICQXBWZESEP-YLJYHZDGSA-N 411.502 1.987 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nnnn1-c1ccccc1 1857149286 QZQXUOHPGKKITI-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCC[C@@H](N2CCC(CC#N)CC2)C1=O 1857192666 OXAFVPYTUWAPSC-MSOLQXFVSA-N 424.567 1.334 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 1857233248 OGERSQNMIDNKJV-ROUUACIJSA-N 411.568 1.464 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@H]1CCN(C)C1=O 1857237319 YXIRFJBSTQMTMT-JSGCOSHPSA-N 408.861 1.582 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)c1 1858298624 UPJRUWDHQASTNY-INIZCTEOSA-N 410.455 1.246 30 10 HDEE CCOC(=O)N1CCN(C(=O)C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)CC1 1860635217 XDQZSHZQDBAKBO-VOTSOKGWSA-N 406.435 1.595 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868796031 PWHJLUGZYLWKKH-QZTJIDSGSA-N 417.579 1.694 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1870095145 APVVZUYUXMRCGV-UHFFFAOYSA-N 412.431 1.907 30 10 HDEE C=CCOc1cn(CCCCN2CCCC2)c(CN2CCN(CCO)CC2)cc1=O 1870387188 UDIRCVAZIVVTQP-UHFFFAOYSA-N 418.582 1.399 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccccc2OC)CC1 1870666561 RTNOVIDSRNVKLS-UHFFFAOYSA-N 412.490 1.229 30 10 HDEE N#C[C@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1883411902 WWNQCFVMXRIZLU-RBUKOAKNSA-N 404.470 1.353 30 10 HDEE N#Cc1cncc(C2=CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 1890976888 RNDXRCNVBUGDSM-KRWDZBQOSA-N 400.504 1.773 30 10 HDEE Cc1c(C(=O)N2CCC(COc3nccnc3C#N)CC2)nnn1-c1nccs1 1891503492 OTZAZBIPGBGVES-UHFFFAOYSA-N 410.463 1.625 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nc(=N)[nH]cc2Br)CCN1Cc1ccccc1 1914902001 UNDTXKWNCKBVAJ-CYBMUJFWSA-N 401.268 1.502 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C1 1981491851 FWJSGDOMMSULEN-TUAOUCFPSA-N 413.334 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@@H]21 2199771938 BLLVZWJVGGRFFJ-YVECIDJPSA-N 402.513 1.679 30 10 HDEE Cc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1NC(=O)CNS(C)(=O)=O 2202849836 QMUDZAYSAGYMOI-UHFFFAOYSA-N 402.709 1.435 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245252627 CVGDKAUYHHXPGB-RUNBWSAHSA-N 411.308 1.449 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2247778549 DIPOGVBZFOHVQG-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE Cc1ccnc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1B1OC(C)(C)C(C)(C)O1 2247834642 ZCITYRRJHDXAED-UHFFFAOYSA-N 413.205 1.192 30 10 HDEE CC1(NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CN(C(=O)OC(C)(C)C)C1 2247835602 NFNPIXAHYYIFNQ-UHFFFAOYSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248401984 QKGPNLRCHKWJQK-UHFFFAOYSA-N 421.303 1.549 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](OCCN)C3)c2Cl)OC1(C)C 2281939497 FOFYHBWUJQZSDD-LLVKDONJSA-N 400.737 1.891 30 10 HDEE CSC[C@@](C)(O)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281994256 MRVSKROSFGGUAK-KRWDZBQOSA-N 400.737 1.878 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cnc(O)[nH]3)cc2Cl)OC1(C)C 2282312308 UPYJHASMAQRQOQ-UHFFFAOYSA-N 419.721 1.608 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](O)[C@@H]1C 2282312987 DXPZZDPKZWJAFI-WCQYABFASA-N 401.359 1.890 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CCCO)CC1 2282314036 TUGGZTGYXXQFPF-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE C[C@H]1CC[C@@H](CN)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342436 HNMJPTNXFSVVFR-STQMWFEESA-N 400.375 1.795 30 10 HDEE C[C@H]1CCO[C@@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282495714 QEZDEIRXUXYCNA-WCQYABFASA-N 402.347 1.287 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282507116 BWSMKEMYGBZIRD-LBPRGKRZSA-N 401.721 1.855 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)o2)OC1(C)C 2282631203 SSHQEDIHQXWTLN-ZDUSSCGKSA-N 401.315 1.139 30 10 HDEE CON1CC[C@@H](NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282837527 VIVQKRADNMVTSH-GFCCVEGCSA-N 402.347 1.270 30 10 HDEE CO[C@H]1C[C@H](CF)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855474 FIHQDEFMLYBRDE-NEPJUHHUSA-N 405.322 1.795 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2284394524 ZIPWOLXVDFZSOU-UHFFFAOYSA-N 407.294 1.143 30 10 HDEE CC[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406735 BSVKVQVXSRVUDU-NSHDSACASA-N 403.331 1.578 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CC(=O)O)C(F)F)c2)OC1(C)C 2284410690 DHWAIBKXFRRTIX-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2362569911 RGPQAVHSFZXBTR-MNOVXSKESA-N 400.331 1.138 30 10 HDEE COC[C@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365189740 YAGAVDCDVCAGJP-KXBFYZLASA-N 403.541 1.980 30 10 HDEE CCCN[C@H](C#C[C@@H]1CC1(F)F)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2366732904 URWILMCWJCDHLP-KFWWJZLASA-N 406.495 1.951 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(OCC)CN(C(=O)OC(C)(C)C)C1 2367785882 SZSKCEZVAADILJ-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CO1 2367801445 RWPGXVOUKCWGTL-OWCLPIDISA-N 400.541 1.604 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C[C@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367804789 WRYUYHPXNYRXNE-MRXNPFEDSA-N 400.541 1.165 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375226354 JHNFOGRYIPWRQL-KDOFPFPSSA-N 402.513 1.113 30 10 HDEE Cc1cc(C(=O)N2CCCCC2)c2c(=O)n(Cc3ccc(C#N)cc3)c(=O)n(C)c2n1 20345111 OXEDYOGCGZZMLE-UHFFFAOYSA-N 417.469 1.950 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(C)CC3)C2=O)cc1 96573453 LPWUMDZSQASTHV-NRFANRHFSA-N 400.479 1.183 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1ccc([N+](=O)[O-])cc1 138522994 OHRRYGLNYWBYNX-UHFFFAOYSA-N 402.480 1.905 30 10 HDEE Cc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)n2)cc1 409562248 PJGJKBCTHNFVMB-HNNXBMFYSA-N 406.450 1.414 30 10 HDEE COCCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 447214511 WVBGFYDAMHFUEA-MRHSLFKSSA-N 405.520 1.889 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472192699 LDGHJVXOSFJROY-UHFFFAOYSA-N 420.451 1.028 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCc2cccc(C(=O)N=c3cc[nH]cc3)c2)cc1 474124684 SHIXPLXWYUALFY-UHFFFAOYSA-N 413.437 1.674 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCN(Cc2ccccc2)CC1 479271395 GANXZNOWOURIHY-KDURUIRLSA-N 408.502 1.836 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2ccccn2)CC1 480785303 GZOJVZIVTPMUIF-HNNXBMFYSA-N 413.503 1.405 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)C2 481224334 CXHIYSPLZPNTKH-XJKSGUPXSA-N 418.393 1.777 30 10 HDEE N#Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 481879093 LIAOEIOPICPWDO-UHFFFAOYSA-N 417.443 1.302 30 10 HDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@@](C)(C#N)C2CC2)CC1 483468243 DMIUNZUSTHFLSI-FPOVZHCZSA-N 418.925 1.980 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1C#N 489138151 SXSNNJGBCPPVEA-UHFFFAOYSA-N 421.460 1.378 30 10 HDEE COc1ccc(Cn2ccnc2S(=O)(=O)CC(=O)NCc2cccc(C#N)c2)cc1 490420463 VVDNCVAZPINQOY-UHFFFAOYSA-N 424.482 1.902 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(O[C@H]3CCCC[C@H]3O)cc2)C1=O 505208441 BAXFKFNAFRYWND-CVEARBPZSA-N 401.419 1.284 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 508464479 MMZQOENZXBKSAF-LLDVTBCESA-N 413.544 1.237 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512693411 IRLBEEOWDADBAI-GOSISDBHSA-N 405.524 1.527 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)cc1 518019753 NDFMEIFGQAPBIJ-HNNXBMFYSA-N 423.441 1.082 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 538272707 YBZPIUCKMNISKU-AWEZNQCLSA-N 401.872 1.194 30 10 HDEE CC1(C#N)CN(C(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)C1 569178183 XYVFNCBPORTOOF-VMJIZDNZSA-N 401.466 1.838 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 574597900 ORPJJMMWBJPJMU-IAGOWNOFSA-N 421.453 1.981 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(CN4CCOCC4)cn3)C2=O)cc1 576512368 YXFAEYYQEGVPNY-OAQYLSRUSA-N 419.485 1.316 30 10 HDEE Cc1nsc(N2CCCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586864417 URLXTUGLKGONMT-UHFFFAOYSA-N 402.455 1.212 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccccc1C#N 604002171 NFVUBRPVEQTOPO-UHFFFAOYSA-N 404.426 1.159 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609253878 ONEMNQXDHNGYQA-INIZCTEOSA-N 401.486 1.926 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(C(=O)N(C)C)CC1 610091594 FVECATXUQMHIMV-UHFFFAOYSA-N 403.527 1.752 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)S(=O)(=O)c1ccc(C#N)c(Br)c1 618999606 FTKYZIKSNSGREC-CYBMUJFWSA-N 405.270 1.519 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 619510248 NUDVLNNABNGSBL-FQEVSTJZSA-N 418.545 1.981 30 10 HDEE COc1ccc(C(C)=NNC(=S)NCCCN2CCOCC2)cc1NC(C)=O 726417527 MOGHJVWLXXKWNI-UHFFFAOYSA-N 407.540 1.564 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 730308840 HJCIOUCWPMUEBN-HNNXBMFYSA-N 414.405 1.638 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 735764827 FZJVGWVTJQTCNK-SFHVURJKSA-N 410.459 1.283 30 10 HDEE C=C(Cl)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 736245048 DMWQAOUQZPPEDC-UHFFFAOYSA-N 423.716 1.952 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCc3ccccc3)nc2)CCN1C1CC1 737197733 HGVPGBJLTNCRQN-HXUWFJFHSA-N 419.485 1.840 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CCN1C1CC1 737198824 PACXQJHZTFBPDD-KRWDZBQOSA-N 405.462 1.486 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccc(Cl)cc1 741340490 DBIFJAGVJODIHF-LCIOQVQZSA-N 405.838 1.804 30 10 HDEE CC(C)Oc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 742530674 CNTIBOTWQMACJK-UHFFFAOYSA-N 424.526 1.056 30 10 HDEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746238145 WAFRQSXOJGAOKE-HNENSFHCSA-N 407.373 1.383 30 10 HDEE COc1ccc(CNC(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1C#N 746714887 NHLNMQTZRCKIHF-KRWDZBQOSA-N 411.384 1.940 30 10 HDEE Cc1noc(C2CCC(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 753308689 IFRSYEZJDSCPBI-UHFFFAOYSA-N 417.491 1.649 30 10 HDEE Cc1cnc(CCN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 754904990 ZLZNOXNOJWJUIJ-LBPRGKRZSA-N 406.533 1.970 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H](c1cccc(F)c1)N1CCOCC1 755582494 OVCVGDQYNGQJMB-IBGZPJMESA-N 417.462 1.717 30 10 HDEE CN1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)CC1=O 756166491 PGIVMVCRJHOXFR-CAPFRKAQSA-N 407.496 1.543 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CSCN2C(=O)C2CCCC2)C1 757585738 AHGFKSBCKLQGMR-HRCADAONSA-N 422.551 1.953 30 10 HDEE C#CCN(C(=O)Cc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 760430278 YKVZFWLQXMVUPU-CQSZACIVSA-N 417.268 1.483 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H](C)COc3ccccc3)CC2)o1 761547420 YGDUNQARPISVEU-HNNXBMFYSA-N 412.446 1.762 30 10 HDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccn(C)c3)c2=O)CC1 763461206 UXPLSBFMHDAXLT-UHFFFAOYSA-N 410.543 1.387 30 10 HDEE N#Cc1c(F)cc(CNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1F 773354046 GHDOGTBAEIHRSF-KRWDZBQOSA-N 401.348 1.712 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)cc1C#N 774339426 YMWZRUNEHPOHAY-UHFFFAOYSA-N 419.235 1.283 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)N[C@](C)(C#N)C1CC1)CC2 786797143 HDHJUSAZBLAMCK-OAQYLSRUSA-N 401.463 1.414 30 10 HDEE Cn1cc(C[C@H](O)C(=O)OCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)cn1 786871147 PKJCFMFNMADZPA-INIZCTEOSA-N 409.364 1.053 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCO2 789968476 OQOCGIPXNFJGCV-UHFFFAOYSA-N 400.464 1.893 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790811213 LMICKARKKVYFPY-BEFAXECRSA-N 415.556 1.872 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCS(=O)(=O)c3ccccc32)cc1 793114053 XREMRKOEUIPMIP-INIZCTEOSA-N 404.469 1.465 30 10 HDEE C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCC1 796424078 KCQQVNZQXRIQEO-JLJPHGGASA-N 415.494 1.602 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(Cl)sc1S(N)(=O)=O)c1ccc(C#N)cc1 798696765 UDLXALIRLQWPRM-GFCCVEGCSA-N 414.848 1.992 30 10 HDEE C[C@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)NC(=O)NCC(F)(F)F 815477357 GOVCFFHEHXLVRM-LURJTMIESA-N 412.246 1.905 30 10 HDEE CCOc1cc(C(=O)N[C@H]2CCN(O)C2=O)ccc1OCC(=O)N1CCCCC1 820178764 ALQIJJUEHJIUGD-HNNXBMFYSA-N 405.451 1.197 30 10 HDEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1134818312 WKSRKPZYOPKZDA-GFCCVEGCSA-N 403.464 1.614 30 10 HDEE C#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CC(C)C)c1ccc(Br)cc1 1141460720 FFLOYTRJAARIIT-GJZGRUSLSA-N 408.296 1.646 30 10 HDEE Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n(C)c1=O 1144758238 COJLVFFYMORANV-HNNXBMFYSA-N 418.295 1.509 30 10 HDEE Cn1cc(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n(C)c1=O 1144758239 COJLVFFYMORANV-OAHLLOKOSA-N 418.295 1.509 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1154274900 SMYKVPXMNKIDAO-OLZOCXBDSA-N 409.936 1.420 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1=O 1156680310 VWJSVHOPBUAYOI-UHFFFAOYSA-N 418.453 1.818 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1158216315 STYYXKDIZCVCKJ-FQEVSTJZSA-N 409.471 1.554 30 10 HDEE C#CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H](N(C)C)C1)C(=O)OC(C)(C)C 1160096265 HLNNLEQUGBASNP-MSOLQXFVSA-N 422.570 1.550 30 10 HDEE C#CCOCCN(C)C(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1160097076 GATBWHVIAAWBKG-PKOBYXMFSA-N 408.520 1.042 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(OCCO)CCCCC1 1179862902 DHFMJMJZTMPHGN-OAHLLOKOSA-N 409.508 1.053 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 1196109618 BBUTZKVTDQFIJC-UHFFFAOYSA-N 421.519 1.844 30 10 HDEE CN1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)Cc2cccnc21 1197212418 PAMNFWJENOLABM-GOSISDBHSA-N 410.547 1.804 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3ccc(C#N)cc3C)CC2)c1N 1212120256 AWCUXBVEOZXUTO-UHFFFAOYSA-N 417.491 1.848 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC([C@@H]4COC(=O)N4)CC3)C2=O)cc1 1227633751 ZZZYKCMRYHHEGZ-MSOLQXFVSA-N 411.462 1.189 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)C1 1248674964 BOIZMYNFAVINDU-HNNXBMFYSA-N 402.499 1.086 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253779310 NYKRKMJYEBJHQN-JKSUJKDBSA-N 407.511 1.389 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1 1255363665 MSPJOHKZFZUKKL-QGZVFWFLSA-N 407.522 1.137 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1286274956 PWDSQYVGBHXSRA-UONOGXRCSA-N 421.523 1.412 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCCN(CC)S(C)(=O)=O 1286369701 GMLUNUBYFIUFTO-UHFFFAOYSA-N 405.524 1.695 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383527 XKEOQUNSZLUJSV-IXDOHACOSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1286390714 BEHYYAKJFHSWMK-KRWDZBQOSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(CC)CC1 1286438647 HKKWNUFVQGXTSX-IBGZPJMESA-N 406.538 1.224 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C(C)C 1286462643 PWXXVINNIZTSQV-FQEVSTJZSA-N 403.483 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)N(C)C)CC1 1286485276 HSQFXPNJVKBAKI-IEBWSBKVSA-N 416.570 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCn2cncn2)CC1 1286494765 QWCKLJXCLCBKLE-UHFFFAOYSA-N 410.526 1.268 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1286495418 VFWSTVGZPDTKIP-DLBZAZTESA-N 403.552 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCS(=O)(=O)C1 1286519678 ZZAIJGLJCUCCOX-ABSDTBQOSA-N 424.567 1.819 30 10 HDEE C=CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1286834855 LDWQRGYKKXNCCH-MOPGFXCFSA-N 409.556 1.551 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)Cc2ccc(Br)cc2C#N)C1=O 1289806251 QSXQNHLZVNGVBN-UHFFFAOYSA-N 407.268 1.700 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCN2CCOCC2)cs1 1290417120 FZNXULIGGQMYIH-IBGZPJMESA-N 419.530 1.798 30 10 HDEE Cc1noc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)n1 1290952347 DXLPFPWZURSQND-UHFFFAOYSA-N 406.450 1.419 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1293532152 FCYGVZLDLSDQEZ-UHFFFAOYSA-N 420.413 1.396 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C#N)cc2OC)c1 1293763318 JSZONPDOZNJACY-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)(F)F 1300409321 HNCQJAYSBMQUGV-ZDUSSCGKSA-N 423.461 1.413 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1CCNS(=O)(=O)c1ccc(C)s1 1300532685 YTUBUTPYAIGYPN-UHFFFAOYSA-N 417.560 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCSCC1 1300656199 BAMBREMIBGDGDN-UHFFFAOYSA-N 410.547 1.952 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 1300695828 LPDGMQXXGZWDHD-LJQANCHMSA-N 424.578 1.798 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300733604 LHBRLGNBWWORDU-HKUYNNGSSA-N 418.611 1.757 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCCC2)CC1 1300733624 YTQJRSOZALITIK-UHFFFAOYSA-N 404.584 1.847 30 10 HDEE C[C@]1(c2ccc(C(=O)N3CCN(c4ccsc4C#N)CC3)cc2)NC(=O)NC1=O 1300768450 MCPMSQSFTFGLFR-HXUWFJFHSA-N 409.471 1.637 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC(C)C)C1 1301017258 IDDFHWOCRNHNJB-KBPBESRZSA-N 421.951 1.271 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1301652939 PTDCLRPEJKJEHP-SFHVURJKSA-N 424.505 1.966 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1c(F)cc(O)cc1F 1304013180 GZZKDPLAHJPXPK-UHFFFAOYSA-N 409.414 1.458 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNc1ccccn1 1304856018 KLUDTSQNIDPTRQ-MRXNPFEDSA-N 418.509 1.861 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](C)CCCO)nnc12 1306851770 IIYQDXGNJRGXJM-AWEZNQCLSA-N 415.519 1.847 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)C1 1314000682 AWDYKIDRUCKHRO-KRWDZBQOSA-N 400.508 1.745 30 10 HDEE CCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1314488545 YXCDEHCHEONPBB-HXUWFJFHSA-N 411.441 1.670 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCO1 1314871410 LHNAQULRRMJSTK-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE COCCOCCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316266379 LFOFXCFKEBIRGO-UHFFFAOYSA-N 400.483 1.675 30 10 HDEE N#Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CC[C@@H](C(N)=O)C2)o1 1316533879 HJKCPFRLMJJSFV-OAHLLOKOSA-N 406.446 1.724 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318502944 WXQWHMQDSQRBQU-MRXNPFEDSA-N 408.439 1.596 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=C(C)[C@H]2COCCO2)c([N+](=O)[O-])c1 1319120407 YXUAOUDAJRDWLO-MRXNPFEDSA-N 400.457 1.829 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCN(c2ccc(C#N)cc2)C1=O 1324631701 MAIASNSADYTSHS-AWEZNQCLSA-N 405.457 1.538 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1359018303 LJRORSNCYNSEHN-XGHQBKJUSA-N 403.527 1.444 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCOC(C)C)CC1 1359045074 VXPICBHYIPJWNQ-SFHVURJKSA-N 403.527 1.911 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359185849 LPUBFVBEWNBQOW-HNNXBMFYSA-N 409.494 1.089 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-n2cncn2)nc1 1360161866 HSFGLFKXBUZJMK-CQSZACIVSA-N 408.470 1.179 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1361016145 WQYZIQRLRGHGSC-SZNDQCEHSA-N 421.461 1.637 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1436054135 PXTNLTCWTNXUAO-RHSMWYFYSA-N 400.866 1.810 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1437249867 SQKGTVULFTXRJV-GOSISDBHSA-N 402.476 1.711 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@]23COCCN2C(=O)COC3)cc1 1438554331 XTSUSGLJUWEAJP-HSZRJFAPSA-N 421.453 1.495 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cc(F)ccc3Br)C[C@H]1CS(=O)(=O)C2 1439797318 QGBBZGRZUVJDHZ-XHDPSFHLSA-N 401.257 1.527 30 10 HDEE Cc1c(C(=O)Nc2nc3c(cc2C#N)C[C@H](C)CC3)cnc2c1c(=O)n(C)c(=O)n2C 1440102463 NNSMNUHKBCBTQU-LLVKDONJSA-N 418.457 1.584 30 10 HDEE COCCCN(C)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1444998655 MDYOEIFWFXEPKN-BATSVXPKSA-N 408.543 1.858 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)c1cc[nH]n1 1452488001 PIAHRQFSDOTHQL-KRWDZBQOSA-N 424.461 1.302 30 10 HDEE COc1cccc(OC)c1CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1453029082 FPDCMRCLASPNHP-ZDUSSCGKSA-N 403.460 1.559 30 10 HDEE CCOC(=O)[C@@H](CCCC(C)C)NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 1460750353 QVYMECBZZPGMBX-QGZVFWFLSA-N 419.526 1.851 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1461662002 NAJOALWTUVLJGL-HKUYNNGSSA-N 415.519 1.753 30 10 HDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1cccc(F)c1 1463164278 QUIVXXOHHBHWIO-VBKZILBWSA-N 416.478 1.974 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@H]2COc3ccccc3O2)n1 1463634635 QXUUHMAMCAXIDH-QGZVFWFLSA-N 405.476 1.135 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1463960249 IXHLJSQCUXGWEO-BHIYHBOVSA-N 406.504 1.697 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(C)CC1 1464889436 CGJSMAAWZQHWFR-CQSZACIVSA-N 402.923 1.303 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CC1 1468716597 QMUJAOUZKUCIFG-HXUWFJFHSA-N 411.550 1.281 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCNC(=O)OC(C)(C)C 1468791243 FJHVJRBWKDFEMK-CYBMUJFWSA-N 410.496 1.208 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)C1 1469728380 GOKJXBAVIPFPSD-MNFFZHCASA-N 412.512 1.153 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 1469730499 WBVIGKJLTYCXHX-LPMFXHHGSA-N 410.471 1.109 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CO1 1471499321 NKLUBIRWCBZLNK-HNNXBMFYSA-N 402.455 1.336 30 10 HDEE C[C@@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCS1(=O)=O 1472045975 RLTGJIQALZLZIM-ZYHUDNBSSA-N 401.282 1.781 30 10 HDEE COCCO[C@]12CCC[C@@]1(NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CCO2 1472289995 XGDFYKAIEMSKSD-WOJBJXKFSA-N 422.503 1.292 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCc3sc(S(N)(=O)=O)cc3C2)C1=O 1473658390 GRAIRWQEDVGTON-LBPRGKRZSA-N 408.530 1.492 30 10 HDEE C=CCOc1c(Cl)cc(CNC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1OC 1474690969 DBYYLXBTYBSCAG-MAUKXSAKSA-N 417.911 1.979 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1474924937 CALKLUGWHMIWAE-UHFFFAOYSA-N 401.448 1.082 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1475698329 URISCOQVTBXQGP-UHFFFAOYSA-N 413.565 1.093 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1 1476025854 HHNZOKBBABVPCX-FXBPSFAMSA-N 404.492 1.491 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 1478420788 GFMRRTORHRDRRL-QGZVFWFLSA-N 410.478 1.253 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1COCCO1 1496790571 NKOVOXMQPXDZJF-KRWDZBQOSA-N 404.515 1.742 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1502256161 VJSPHMHOKJRAJH-NYAYQYMKSA-N 413.526 1.601 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCC(C#N)CC1 1503281218 ZYUAAGDMZDKRIW-UHFFFAOYSA-N 417.539 1.718 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1503386578 HQPRKMODJYOUNM-PJIJBLCYSA-N 401.446 1.567 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1 1503604459 NUGIXDKQWJHORX-UHFFFAOYSA-N 400.464 1.724 30 10 HDEE COc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1504317587 ASJJLBCVZGJLRC-OXQOHEQNSA-N 414.441 1.759 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1504505374 UIAPUEOZWOEWHN-AOSLUSHLSA-N 416.526 1.963 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504602966 MMULYMQRADSWGM-HNNXBMFYSA-N 409.425 1.860 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1cnn(C)c1 1504962799 AEOWVONHAXAVMS-HNAYVOBHSA-N 405.478 1.810 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(C(N)=O)c1 1507515424 UPNZTSOBLGKBSW-OAHLLOKOSA-N 410.522 1.996 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507627905 UKNIIDCADRBXDJ-ZWKOTPCHSA-N 406.483 1.740 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(N)=O)C1 1507746659 AQAGIGSFARWQIY-CQSZACIVSA-N 400.464 1.531 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1507751432 OBYWKYOZNGRYKY-INIZCTEOSA-N 424.592 1.554 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1507754266 MLBBJRAVFSTHDP-HUUCEWRRSA-N 420.539 1.311 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507931272 ZSMCXNJQKPSDOY-HNNXBMFYSA-N 405.528 1.562 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCS(=O)(=O)C1 1507985608 JWMFYCHRPSDMEF-CYBMUJFWSA-N 409.537 1.327 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1 1528416148 YKAIAQLUZRCYBY-LLVKDONJSA-N 422.239 1.966 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC(CC)(CC)C2=O)c(C#N)cn1CC 1528979443 KXSAIOMUJYLITO-UHFFFAOYSA-N 403.439 1.605 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 1529086398 CVMNTXCZGCSOEG-CQSZACIVSA-N 423.922 1.896 30 10 HDEE C[C@@H](C(=O)N[C@H]1Cc2ccc(C#N)cc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1532962725 AQBTUBCGOJUGGT-KSSFIOAISA-N 412.490 1.609 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(F)c1 1533981017 UZWDEGQQHZXOIA-UHFFFAOYSA-N 418.450 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C1CC1 1538991642 BRWYERXKJBPTFX-INIZCTEOSA-N 405.510 1.863 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1539085676 PCESSUPVFYUTTI-IAGOWNOFSA-N 418.542 1.197 30 10 HDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539133324 DYVFHLLEBNPKHY-GOSISDBHSA-N 408.506 1.699 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)CC1 1539446287 BAYZUIBIHSFWEU-APWZRJJASA-N 423.608 1.221 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](F)COC 1539548678 SWQDYOYNVAPPQL-OXQOHEQNSA-N 410.457 1.897 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1539612298 KLTCXYAALGGTFS-IKGGRYGDSA-N 418.542 1.360 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539802408 XELFXQFVCSOONF-HUUCEWRRSA-N 418.947 1.565 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(NS(C)(=O)=O)CC1 1540727508 WHJVCXVSDUQESW-HNNXBMFYSA-N 416.544 1.504 30 10 HDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1540857508 BUCCGNZQNIXDLK-OAHLLOKOSA-N 404.515 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(C(C)C)CC1 1540905634 YDGZCGXEONUWGM-UHFFFAOYSA-N 418.567 1.395 30 10 HDEE C#CCN(C(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1542211053 JLMWPMVAQCDJAF-JYJNAYRXSA-N 400.541 1.965 30 10 HDEE Cc1cccnc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1542786329 GFZWQNCOTOBJIF-HNAYVOBHSA-N 417.539 1.770 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H](C2CC2)O1 1544754347 DMVIOCZIVJPVAW-RDTXWAMCSA-N 415.519 1.865 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)n1 1544775547 YKRGJLKGPFFSFO-GFCCVEGCSA-N 406.851 1.699 30 10 HDEE COCCOC1(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555682402 HMLFSMLJLINODG-INIZCTEOSA-N 416.482 1.214 30 10 HDEE C=CCN(C(=O)CCC(=O)N1CCOCC1)[C@@H](Cc1ccccc1)C(=O)OCC 1556204846 FJTAXLNWSMNEOG-IBGZPJMESA-N 402.491 1.814 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O)c1cc[nH]n1 1556431290 SHOOKEFWBNGVBO-ATLSCFEFSA-N 420.510 1.872 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1557385454 DPHJBSNEZBOCON-YQVWRLOYSA-N 408.376 1.861 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cc(=O)c(O)co2)C1 1558678805 TYPVHOTUDATGKZ-UHFFFAOYSA-N 404.220 1.732 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2ccco2)c2ccccc2)c(=O)n1CCO 1559457008 WQBIERDRRVFSLW-UHFFFAOYSA-N 408.414 1.009 30 10 HDEE CC1(C#N)CN(CC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)C1 1559798816 CDFBJLNCDKWCKJ-NVNXTCNLSA-N 402.451 1.824 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 1560083890 CGDSFFASAWVPDF-OXQOHEQNSA-N 404.536 1.778 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2CCN(C)C(=O)OC(C)(C)C)CC1 1560240206 QCCKIYLLDMJIDF-IBGZPJMESA-N 406.571 1.875 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)nn1 1561675913 YRMORKSAGJMQTR-UHFFFAOYSA-N 405.814 1.833 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C)cc(S(C)(=O)=O)c2)n1 1563212788 PQAYYEFANNWXNE-UHFFFAOYSA-N 404.492 1.909 30 10 HDEE C#CCN(CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)OC(C)(C)C 1567387535 CARZFDUZOGKCKC-GJZGRUSLSA-N 406.483 1.732 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1587567963 LTWNCGLATZBKJO-DYESRHJHSA-N 405.543 1.499 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC 1587569461 YAWQCURBTLWPJX-MRXNPFEDSA-N 401.536 1.755 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cnn(C)c1 1587861061 GQIPUGDPIFHOTL-RDJZCZTQSA-N 402.524 1.669 30 10 HDEE C#CCCCn1c(N2CCN(S(=O)(=O)Cc3ccon3)CC2)nnc1C(C)(C)C 1587893395 DPBDHLPKKXDIIS-UHFFFAOYSA-N 420.539 1.629 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1 1588139519 OIIBSMLLNLDKLU-MSOLQXFVSA-N 404.536 1.602 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1588314470 FUDWULNMQVIWTQ-UHFFFAOYSA-N 403.450 1.713 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1588750443 DHEXRVQBIJROIP-GOSISDBHSA-N 400.552 1.477 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(C(=O)OC)CC2)CC1 1588811324 GMFOUKDJBOJNSS-GOSISDBHSA-N 416.526 1.016 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1589069957 PCHGOBOMWYFEJW-LJQANCHMSA-N 419.595 1.697 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1589110777 ZJJPAVLXQQMTLF-IAGOWNOFSA-N 403.552 1.630 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1593776028 GXRXBYJHZFCGON-MSOLQXFVSA-N 419.526 1.550 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1594661123 QOOUIBOGBBJFIV-INIZCTEOSA-N 409.556 1.884 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC(C)C 1595191825 ZRZHIKZAODFQGH-UHFFFAOYSA-N 407.482 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCS[C@@H](C(C)C)C1 1595798596 QXSFVAYKJAPGGS-JKSUJKDBSA-N 414.597 1.961 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO 1603338162 YOZNYMVPQWLPFH-CVEARBPZSA-N 408.296 1.757 30 10 HDEE CSCC[C@H](C(=O)NCc1nc(C#N)cs1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1611469884 LTKNRXAFPISWFO-MGPQQGTHSA-N 406.533 1.928 30 10 HDEE NC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2[C@H]1S/C(=N\c1ccccc1)N2Cc1cccs1 1616175304 UMDAHPJYDRFKHO-LDCISZFKSA-N 403.529 1.949 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC(C)(C)C 1619912837 NPCHIFGRTZIVNP-HNNXBMFYSA-N 413.544 1.362 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CCCCC1 1620611823 IAEMQVDAGLFHAL-UHFFFAOYSA-N 421.538 1.974 30 10 HDEE N#C[C@]12CN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1620635423 NEARRLKMUFAOKO-MGPUTAFESA-N 416.503 1.012 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1621081530 OYKQFTFOBMCYCS-VMPITWQZSA-N 412.483 1.307 30 10 HDEE COCCOc1ccc(CNC(=O)COc2ccc(C#N)c(Br)c2)nn1 1625395903 DISMYJMIZBJFIZ-UHFFFAOYSA-N 421.251 1.831 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 1625790303 CREXFTMPPFMOJM-HOTGVXAUSA-N 416.540 1.345 30 10 HDEE CCOC1CC(O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1626267876 RRIMNYGYVFQEOZ-KTYIJJEDSA-N 407.511 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCO[C@@H](C#N)C3)nn2)CC1 1626971181 GCHGOKRPULAZPF-CABCVRRESA-N 404.471 1.605 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OCC 1627752411 OLLZVJGDKLEZNM-KURKYZTESA-N 404.463 1.773 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](CS(C)(=O)=O)C2)CC1 1628703211 YAUFEIQJEMMECP-KRWDZBQOSA-N 412.552 1.920 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 1629096044 UXGKNFSMWQBRIN-INIZCTEOSA-N 421.519 1.791 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCN(C(N)=O)C3)CC2=O)cc1Cl 1629116533 AAQKDTZGPZGYOW-GXTWGEPZSA-N 403.870 1.471 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1629636498 DHRLDTVNRSJKQG-QGZVFWFLSA-N 401.488 1.275 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)c1cc[nH]n1 1630181405 VJOOPZNVCOSOFY-HNNXBMFYSA-N 415.494 1.815 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 1631764166 WAONBJONNFQDGU-DZGCQCFKSA-N 417.462 1.562 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1632950307 SHDWZYIPJNKJSO-GJZGRUSLSA-N 416.544 1.504 30 10 HDEE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@@H]1CCN(O)C1=O 1636352960 PKJKNXXUQHBLFV-FNWMBBJUSA-N 409.464 1.523 30 10 HDEE N#C[C@]1(C(=O)N[C@@H](CO)c2ccccc2I)CCCOC1 1637106558 SDNUHCVWQJHUTC-DZGCQCFKSA-N 400.216 1.761 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)CC1 1638655791 DCCJTSDCTMISML-FQEVSTJZSA-N 401.463 1.392 30 10 HDEE CC(C)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CC=CC1 1639381769 PGZWJKRBWVSMLW-LJQANCHMSA-N 419.547 1.975 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1SC 1639894964 SWXZGCXTGXHZNV-CPUCHLNUSA-N 411.549 1.531 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC2(CC1)CCN(C)CC2 1641460566 VEEYUWDYVWDDOP-MRXNPFEDSA-N 418.563 1.996 30 10 HDEE COC(=O)CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(C#N)cc1 1643531174 BCFSPJFOJFFUKK-UHFFFAOYSA-N 403.435 1.021 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 1643896580 LQINIPVFYTVUSS-NHYWBVRUSA-N 405.398 1.405 30 10 HDEE CC[C@](C)(C#N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1650819692 QHBQEYJAXFITJA-GXNBUGAJSA-N 406.483 1.967 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)c1 1653671881 OBNFHHZKORQQRW-QGZVFWFLSA-N 403.508 1.827 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-] 1653725186 FJLDAILEYSDEKJ-GFCCVEGCSA-N 411.461 1.507 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3cccc4[nH]ccc34)CC2)CC1 1654506400 AZECCBMXYJRSLC-QFIPXVFZSA-N 408.550 1.982 30 10 HDEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)N1Cc2ccccc2C1=O 1654812028 VQUUQPCDKXESNC-CQSZACIVSA-N 407.426 1.935 30 10 HDEE Cn1c(=O)[nH]c(NCC2(c3cccc(Br)c3)CCOCC2)c(C#N)c1=O 1655004260 IFAHUXORYQDXMX-UHFFFAOYSA-N 419.279 1.868 30 10 HDEE C=CCOC[C@H](NC[C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(=O)OC 1659598417 HWZXIUKSIGGMIM-CVEARBPZSA-N 413.515 1.084 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 1663990684 FQBAASNCMBWTHT-JSGCOSHPSA-N 408.567 1.099 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F)C(=O)OCC 1664946860 DHRAJTIBXXDZOZ-VHSXEESVSA-N 409.810 1.864 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)[C@@H]1C[C@H]1C 1671658691 UYWJADALLFKNLA-UHWHQUHESA-N 416.503 1.850 30 10 HDEE C=CCN(C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1671782373 LDOOWCKPNLQOCG-MRXNPFEDSA-N 415.537 1.680 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1672020163 OCXPNNDWMKBSRN-WMZOPIPTSA-N 405.524 1.108 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCC2(S(=O)(=O)NC(C)(C)C)CC2)cc1 1673643528 LUWNFJGDBFKHPL-UHFFFAOYSA-N 408.524 1.974 30 10 HDEE CS(=O)(=O)Cc1cc(F)ccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1675289102 HHCWFRDXWYESDR-UHFFFAOYSA-N 417.466 1.991 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 1682469393 NPWGYWHBWXLHSQ-JOCHJYFZSA-N 411.506 1.666 30 10 HDEE COC[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Cl)cc1 1682637959 GSEDJNGZWCNWPZ-CQSZACIVSA-N 405.842 1.203 30 10 HDEE N#Cc1c(CCCNC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)nn(-c2ccccc2)c1N 1683434601 PXXUPDHBCUUNSG-INIZCTEOSA-N 423.477 1.541 30 10 HDEE CN1C[C@@H](CCNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1=O 1685326170 XQRAUTSCMGULML-INIZCTEOSA-N 406.490 1.806 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1685845921 ODCNWMLFLNHFJF-AWEZNQCLSA-N 417.528 1.055 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1686675924 SQFTUWPJUHEWBU-SJORKVTESA-N 406.527 1.899 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689851473 RHVACPQDQMRUAA-MOPGFXCFSA-N 422.533 1.589 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1690087186 NOWNPGUXDATMFJ-YJBOKZPZSA-N 416.526 1.814 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCCCC=C)CC1 1690152431 KTBOYKDBNBPNGF-UHFFFAOYSA-N 412.538 1.723 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)=C(C)C1 1690665767 OTTPLEMGCWWNEP-UHFFFAOYSA-N 419.493 1.770 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)cs1 1694601046 JLGPQIVMGDODRI-AWEZNQCLSA-N 403.512 1.663 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)CC1 1695873073 GEUIGWCUHBTRAT-ROUUACIJSA-N 416.574 1.165 30 10 HDEE CN(C)C(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1696586072 PQGLGRDTXMWZQE-UHFFFAOYSA-N 408.510 1.302 30 10 HDEE CN(CCCCCO)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1696795242 DZRJCDHYCRGJAA-MSUUIHNZSA-N 404.515 1.701 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1697776353 RBZJOBZKVJWQHV-DLBZAZTESA-N 421.498 1.815 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1705548361 DYPLRILPPJPIRI-UHFFFAOYSA-N 400.446 1.716 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(Cl)c(C(F)(F)F)nn1C 1705552974 JCULREYARRPDDV-SECBINFHSA-N 415.807 1.753 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705558866 KKPZXDVCRSVDNL-DLBZAZTESA-N 419.551 1.399 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559548 CJZZRDNUEQPYIG-HOTGVXAUSA-N 423.583 1.581 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705571184 WNNHAXHQAGBMOA-KRWDZBQOSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc(CSc2ccccc2OC)n1Cc1nnn(C)n1 1705601976 DTTBHZWLHAPSMZ-UHFFFAOYSA-N 422.518 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1705612230 CJOHHBHBYGHGDD-OAHLLOKOSA-N 413.519 1.353 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC(C)(C)C1 1705618382 FJAHPZAFUUCYPS-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCc1nnc(C)s1 1705627998 UZSUGQAJIFJODB-CQSZACIVSA-N 403.512 1.108 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C(=O)NC)C1 1705702087 FEFUQZPDUYUJAO-NJAFHUGGSA-N 414.510 1.216 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705746123 QOPQKLRWKQWIMC-IAGOWNOFSA-N 413.950 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCCCC2)C1 1705915567 WAHJWSWOBYRHGV-QGZVFWFLSA-N 403.527 1.991 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ncn(C)n1 1706418060 GHYQAXZVIMDRKJ-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCO 1706747427 MLAXTBFAHIGAJX-QAPCUYQASA-N 401.467 1.928 30 10 HDEE CCc1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709117159 YXSYNJMTHMXWAA-ZBBYCGENSA-N 413.526 1.432 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(=O)(=O)CC 1709168209 YPGMKBQLUVPYMW-MSOLQXFVSA-N 416.551 1.913 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)C 1712317667 BASNYMXHNKJEFS-NRFANRHFSA-N 414.510 1.565 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NCc1ccco1 1712624444 JZSODWJZNIEFLS-MPGHIAIKSA-N 416.482 1.507 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1712879923 RDMMEHPCTYPKHD-CVEARBPZSA-N 400.389 1.970 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1722297312 YXLGMXZDPTWRHA-IAGOWNOFSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722357953 BJVHAMFEKSUWJJ-IAGOWNOFSA-N 407.584 1.544 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722366199 HEANAUAOGLBZIU-ZWKOTPCHSA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722369464 ZQXZGFNWGUZGPF-KURKYZTESA-N 420.535 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCCO 1722376742 YRYPWABGQHOYIB-UHFFFAOYSA-N 406.284 1.508 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@@H]1C 1722382245 KSNBLDNXGJVXHZ-VGOFRKELSA-N 404.474 1.129 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722462816 PDYRPTFDDHIJOG-HNNXBMFYSA-N 417.564 1.214 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1740568093 YYBCLJVDJIZGPB-KRWDZBQOSA-N 409.494 1.250 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)NC(C)C 1740636007 OELZCIRQVRGWLC-UHFFFAOYSA-N 413.547 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1740648687 JXMYHZVPKMOVKF-CVEARBPZSA-N 423.608 1.883 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOC[C@H]2C)CC1 1740699203 XWQNPJGOWZOBOU-OAQYLSRUSA-N 422.577 1.539 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccccn2)CC1 1740701156 WMRVWTXQZLOSRD-ICSRJNTNSA-N 410.522 1.395 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1740874925 LHANPVZQSCEUPJ-OAHLLOKOSA-N 423.521 1.977 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1740902736 XPTDUISNHZDGKY-IBGZPJMESA-N 409.538 1.986 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)C1Cc2ccccc2C1 1740992420 PPRPHUUTXVHKHN-GOSISDBHSA-N 416.547 1.986 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)Nc1ccc(F)cc1 1742836230 BCNXTTMKQPQCCC-UHFFFAOYSA-N 420.452 1.958 30 10 HDEE CCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744583812 QXFUUJSIIZYARL-MSUUIHNZSA-N 402.499 1.761 30 10 HDEE CN(C)CCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1747599757 LVSVEQKFVMTNBE-UHFFFAOYSA-N 422.537 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)COCCO1 1748831494 OCGMJFFEFXISPV-JOCHJYFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCNC(=O)c1ccccc1F 1748838931 IEDYRHDPKNDYMP-UHFFFAOYSA-N 404.449 1.926 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@@](C)=O)CCC1 1748874715 CXPGFHWTRYABHU-VLMBKWFHSA-N 404.536 1.376 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1748965657 UPPLCENOHAGVGC-ZDUSSCGKSA-N 424.445 1.193 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 1748983620 VTHDUGVZJZTVSM-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2conc2COC)CC1 1748991047 PFAFTSVEUJMEIX-MRXNPFEDSA-N 400.483 1.110 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2([S@@](C)=O)CC2)CC1 1749015330 DAVNBWHBJAGTDG-MUUNZHRXSA-N 403.552 1.108 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1749118472 GPWUWVXDHJKOAG-IEBWSBKVSA-N 404.559 1.641 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1749118713 ITILXMSFGBJWAZ-ALYAQQCSSA-N 409.556 1.858 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1749152799 HORJOMHSPOGGAT-UHFFFAOYSA-N 419.555 1.729 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@H]1C 1749487711 GWWCQGGNUDTSCM-KKSFZXQISA-N 413.526 1.614 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1cn(C2COC2)nn1 1749579878 YJRJUAASGWSXMY-UHFFFAOYSA-N 409.498 1.529 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749760211 FSQFOCMRLCTEMW-QGZVFWFLSA-N 415.567 1.496 30 10 HDEE C[C@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1752191248 VVSPSKVXOBRLTL-BBRMVZONSA-N 420.495 1.113 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1760115931 CXJPILLKRNRERU-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760143826 TZCXISQABVTFEL-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1760186123 AOGAGMWKQDONCP-SFHVURJKSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1760192190 GBFAPWJAIVLKHV-HZPDHXFCSA-N 412.581 1.900 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCN1CCCS1(=O)=O 1760240731 ABLWCMWTTWXZMU-UHFFFAOYSA-N 417.510 1.970 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2cnn(C)c2)CC1 1760267126 GEOLRANVRIXEJC-UHFFFAOYSA-N 403.490 1.693 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760312282 RVCKLTATJZOLQS-ZFWWWQNUSA-N 414.348 1.880 30 10 HDEE CCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1762541753 DYFGSVMOMOAMMA-INIZCTEOSA-N 402.499 1.336 30 10 HDEE CCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1762635488 HRWXNFSGBFXUMW-AUUYWEPGSA-N 420.514 1.941 30 10 HDEE CCCNC(=O)CCn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1766231755 BKTFGTXDXXXUOQ-HNNXBMFYSA-N 411.514 1.134 30 10 HDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1766865172 SHDSIEJIPZZBDQ-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1769273177 SIGVKGHEPYMORS-INIZCTEOSA-N 402.430 1.690 30 10 HDEE COCCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1 1771234530 QIAPASBSUUQQLE-IBGZPJMESA-N 423.477 1.481 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCC[C@@H](n2ccc(=O)n(C)c2=O)C1 1851271379 ABOBXKUXRCRFAI-OAHLLOKOSA-N 417.897 1.899 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3nccc(-c4cccc(C#N)c4)n3)CC2=O)CC1 1851856259 GJQFKBLYBJSTCA-KRWDZBQOSA-N 404.474 1.896 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CCn2ccnc2CC)C1=O 1853788966 XWKDGWVUTIBCPB-IRXDYDNUSA-N 401.511 1.072 30 10 HDEE Cc1cc(N2CCN([C@H]3CCCN(C(=O)c4ccnc(C#N)c4)C3=O)CC2)ncn1 1854340311 RLIVCTFPSFVYSG-SFHVURJKSA-N 405.462 1.005 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)CCC1=O 1854357518 ZHTVURWVQUJGFF-QAPCUYQASA-N 421.494 1.666 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1 1854457116 RQZSQTDHAWRXIS-SFHVURJKSA-N 415.515 1.733 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(C)CCOc3ccccc3OC)C2=O)CC1=O 1854532473 LCSMSZUWOGEWGG-IRXDYDNUSA-N 415.490 1.168 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1c(F)cccc1F 1854625127 MUZCFOJUYBMQAO-NSHDSACASA-N 420.397 1.293 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1CCOC1 1854749712 HADGSJKHWZZRGH-MRXNPFEDSA-N 404.488 1.892 30 10 HDEE Cn1nc(-c2cccs2)cc1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855072847 PCEHLFYSZUTGPA-OAHLLOKOSA-N 412.519 1.421 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)C1 1855852901 RSTBJBGTAUCYBU-MRXNPFEDSA-N 404.511 1.854 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)CCn4cncn4)C3)CC2)cc1 1856028033 UDEXYDWJKUICSW-HXUWFJFHSA-N 406.490 1.827 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@H](C)S(=O)(=O)CC3)CC2=O)cc1C#N 1856096575 LZIMZRWXPFYCBT-HOTGVXAUSA-N 403.504 1.364 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C2=O)CC1 1856538149 DXFAWMMZXXHRCF-QGZVFWFLSA-N 400.458 1.195 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2c3c(nn2CC)CCC3)C1=O)[C@@H]1CCN(C)C1=O 1856742145 XHCOUJXODHNYBW-ZWKOTPCHSA-N 413.522 1.242 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cccc(Cl)c3)C2)CC1=O 1856806041 WSJFGGILXNQLQK-TZMCWYRMSA-N 414.867 1.222 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCCO)cn1CCCN1CCCC1=O 1870356369 OXHGWBNBIWIYDZ-UHFFFAOYSA-N 403.523 1.796 30 10 HDEE C=CC1(NS(=O)(=O)c2scnc2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1884986978 DKVASNRBRVBJLX-UHFFFAOYSA-N 403.482 1.384 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)C3CC4(CCOCC4)C3)CC2)CC1 1889236134 MQBIFIJDFIRXIC-UHFFFAOYSA-N 403.567 1.452 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)cc1C#N 1891089599 QDISXBQOKQSNRQ-HNNXBMFYSA-N 404.448 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 1918805320 JZOSYPRVNSPVSM-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE CC1(C)OB([C@@H]2CCCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)OC1(C)C 1965483084 XQEGTVCVPKAUAW-KGLIPLIRSA-N 403.375 1.992 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@](C)(CO)C1 2118169711 JIGXFLAXSSQYGY-MRXNPFEDSA-N 401.510 1.612 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNC(=O)C(C)(C)S(C)(=O)=O 2157011934 CEFLRAVZDHMZHP-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1C#N 2174788659 HLBNHPGWZPGNBW-AREMUKBSSA-N 414.509 1.668 30 10 HDEE C=C(CN(C)C(=O)C1(CO)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 2243674587 LEKJDEHBBQMXJD-UHFFFAOYSA-N 410.320 1.862 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548651 SFZAFYFUPMHXGO-UHFFFAOYSA-N 408.304 1.357 30 10 HDEE C[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2247921047 IOZIJLALNCYVLG-OAHLLOKOSA-N 414.315 1.697 30 10 HDEE Cc1nc(NC(=O)C#CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248403222 DRPYWCDTKKJBIS-UHFFFAOYSA-N 416.287 1.551 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(C)(C)CN1 2282332148 WWKHWVSFFNWVLY-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC(C)CNC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337362 KWBSPRBBNHXRCL-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3CCC(N)CC3)c2)OC1(C)C 2282341057 NBLKPRDYRTXMIC-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1CO 2282351224 YCHDZVDXNXGQIQ-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CS[C@H](CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282408717 JYODNDRBLIMBCK-CYBMUJFWSA-N 401.363 1.139 30 10 HDEE C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494352 YPHVOPJPWLRIGI-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCNCCC2)OC1(C)C 2282498453 DLMLMFPCWCBXMG-UHFFFAOYSA-N 400.375 1.563 30 10 HDEE CN([C@H]1CC[C@@H]1N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282882403 LDRDDBMDNXGFFB-GJZGRUSLSA-N 400.737 1.749 30 10 HDEE C[C@@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415565 YKWVUWJFQAUOPN-PWSUYJOCSA-N 401.315 1.674 30 10 HDEE CC1(C)OB(c2cscc2COC2CCN(S(C)(=O)=O)CC2)OC1(C)C 2285593694 MQGPSDVLCWJNNR-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CCOc1cc(C=C2NC(=O)NC2=O)cc(I)c1OCC#N 2297104374 OLWNMFNFTDYHFI-UHFFFAOYSA-N 413.171 1.773 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](NCCC#CBr)(C(=O)O)C1 2305883543 OFWYBXKISGCURM-BLLLJJGKSA-N 405.289 1.801 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C#CC(C)(C)S(C)(=O)=O)C[C@]12CCCOC2 2365185043 HCBAIHDLVNLWSQ-OALUTQOASA-N 401.525 1.734 30 10 HDEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365207867 ATHBWJCHJNCMPH-BEFAXECRSA-N 401.525 1.779 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C)O1 2365209636 HRUVPVQECIMGDV-JJXSEGSLSA-N 402.557 1.862 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2365214180 YEJMWYDQAQJMNX-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)[C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2367090112 BLLKIUSTAXEZBI-ZRGWGRIASA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796989 KQRLGXTZTZTAEC-ZIAGYGMSSA-N 401.481 1.436 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367814572 JPMOJTQDVZTQRR-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE COc1ccc(/C(O)=N/C2=NC(=O)CN2)cc1S(=O)(=O)Nc1ccc(C)cc1 50223424 AFMQCIGJXJUNIJ-UHFFFAOYSA-N 402.432 1.595 30 10 HDEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@]1(O)[C@H](O)C[C@@H]2C1=CC(=O)OC1 118937634 QJKATDKDXQSALV-BIHOZEBBSA-N 404.503 1.754 30 10 HDEE CCNS(=O)(=O)c1ccc(/C=C\C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 208380684 BUSKWHPFTKLAMW-JNLAIUADSA-N 404.536 1.690 30 10 HDEE Cc1cc(C(=O)NC2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c(C)o1 301436621 WXUMCTAUPOUNDL-UHFFFAOYSA-N 402.476 1.814 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)cc1C 302719211 KOXLXDLMPCXMNM-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnn2Cc2ccc(F)cc2)CC1 429572731 IOPGKJSZAPDCTO-UHFFFAOYSA-N 400.458 1.522 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 444137570 ZZVFQJGUVZYCTE-OAHLLOKOSA-N 404.902 1.847 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 461304176 YGCWZMLJUSQJHC-MRXNPFEDSA-N 410.503 2.478 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccc(-n2cnnn2)cc1Cl 461306842 LDRWYIZGUOZBNO-UHFFFAOYSA-N 405.809 2.329 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)NCCOc2ccc(C#N)cc2)cc1 466096744 BROWWYBUJCFVTR-UHFFFAOYSA-N 416.503 1.865 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 478251790 OJYOTRFSJPYCMV-HNNXBMFYSA-N 406.433 1.392 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3cnc(C4CC4)nc3)C2=O)cc1 486487100 AYOQGRVNCZZGIM-IBGZPJMESA-N 404.474 1.868 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489179927 QBWYPYJSMMPURB-WBAXXEDZSA-N 414.531 1.723 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)Nc4ccccc43)C2=O)cc1 504698261 ONDPYPPUSXOTHG-INIZCTEOSA-N 403.398 1.749 30 10 HDEE COCCOc1ncccc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 504939459 PTYBGWHLAHTMMR-KRWDZBQOSA-N 423.429 1.822 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 508949341 HLALBCIODDRXDD-AWEZNQCLSA-N 400.487 1.275 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(F)cc2)CC1 514740409 UXEJJGSWPBHQHH-QGZVFWFLSA-N 419.482 1.947 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NC3CCCC3)cc21 526847391 XYYPLHUGHOCUQY-MMEWPQADSA-N 418.515 1.977 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1 534756506 KAGZJRZUFKAIJD-CWFSZBLJSA-N 412.515 1.787 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCN(c3cccc(C#N)n3)CC2)cc1 544881746 NHCNDOPKPIQWLQ-INIZCTEOSA-N 407.474 1.567 30 10 HDEE N#Cc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2Br)cn1 548223457 YTBZKAOAGYVWCO-UHFFFAOYSA-N 410.249 1.991 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1cccc(O)c1 554931983 NHBZGNWCNHISHX-PBHICJAKSA-N 421.523 1.700 30 10 HDEE N=c1nc([C@H]2CCCN(CC#CCN3CCC[C@H](c4cc[nH]c(=N)n4)C3)C2)cc[nH]1 560194265 CFHWJKYTDWSQJV-ROUUACIJSA-N 406.538 1.154 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 569039547 AAJOWYGAFUQZEC-UHFFFAOYSA-N 409.512 1.691 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(CO)CC4(CCC4)C3)C2=O)cc1 577465123 OWFKDPWVQMDAIN-KRWDZBQOSA-N 410.474 1.822 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 579671496 GTFKKMMEJLKPSL-UHFFFAOYSA-N 412.881 1.960 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OCC 583925265 LDNQZKGEAUGXAO-HNNXBMFYSA-N 416.521 1.408 30 10 HDEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)[C@@H](C)c1ccccc1 603634425 SZPPQKALERHKPU-HNNXBMFYSA-N 401.467 1.073 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 609597507 XLXFOZMZLJBWHU-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 610808919 CHURGXRIVYIZSS-MLGOLLRUSA-N 403.464 1.670 30 10 HDEE COC(=O)[C@H](c1cccc(C#N)c1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784809 IRRVBSUPNOSAMQ-FQEVSTJZSA-N 411.483 1.849 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 614903148 YKJMVIBBSQHEMA-HNNXBMFYSA-N 400.475 1.956 30 10 HDEE N#CCNC(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 731245594 KZXGIQACXJDRDB-DQYPLSBCSA-N 405.401 1.921 30 10 HDEE C#CCCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 733248295 ULPAIORFQZCOSH-UHFFFAOYSA-N 406.245 1.295 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2ccccc2)ccc1F 748688554 AXXOKWOYKUDQIN-KRWDZBQOSA-N 406.435 1.934 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291367 HYJHLYJMCGJERK-RBUKOAKNSA-N 408.458 1.701 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755474387 MJFFZIZKPPTXLU-DFEHZGFQSA-N 404.426 1.787 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc(F)c1F 756149974 DGEMSNYCKPSNEP-UHFFFAOYSA-N 422.413 1.529 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 763924996 HVJQDMOJLUXQQC-UHFFFAOYSA-N 417.553 1.780 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 765960617 LMIQGLKSUCVXQQ-KGLIPLIRSA-N 407.492 1.305 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 774040684 VKLMMPIRADAHQV-BXWFABGCSA-N 405.520 1.954 30 10 HDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O 780207314 VBOCJQLKXGLZLL-PXAZEXFGSA-N 402.428 1.566 30 10 HDEE CC(C)(C)n1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)n1 780502833 ZIUSHRUBNDKEQX-NTCAYCPXSA-N 410.272 1.657 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C[C@@H](O)c4ccc(C#N)cc4)CC3)C2=O)n(C)n1 780564609 CDZRRUGGQOLPNA-LEWJYISDSA-N 422.533 1.447 30 10 HDEE N#CC1(NC(=O)CSc2nnc(-c3cc(-c4ccc(F)cc4)[nH]n3)n2N)CCC1 783985703 FRTJMCQUCLFFQP-UHFFFAOYSA-N 412.454 1.843 30 10 HDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790361008 RSSYMCYRKTVVRQ-UHFFFAOYSA-N 416.506 1.847 30 10 HDEE C=CC[C@]1(C(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CCCN1C(=O)OC(C)(C)C 790677409 NNRRJKKJBGPUEN-OAQYLSRUSA-N 420.510 1.875 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)n1cnc(C#N)n1 798398906 CZMGYTNWSPLACN-QQQNJIPZSA-N 401.452 1.162 30 10 HDEE N#CCOc1ccc(CNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 806715239 DENXJKKEVXGHMN-MRXNPFEDSA-N 406.508 1.592 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCCOC3(C#N)CCOCC3)c2C)nn1 809080507 OETKKMYFSMCAHW-UHFFFAOYSA-N 401.423 1.616 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c(=O)[nH]c21 918685013 XXRYHODRRIHAFQ-XQRVVYSFSA-N 417.473 1.934 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cn1 1131370933 VEYFTNWRNFLVTA-UHFFFAOYSA-N 414.487 1.639 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1132192657 MOQWPGULPVZGSF-DGCLKSJQSA-N 420.940 1.778 30 10 HDEE Cn1c(=O)c2ccc(NC(=O)[C@H]3CCCN3c3ccc(C#N)cc3)cc2n(C)c1=O 1134136538 HIIINNQIBWMNCS-GOSISDBHSA-N 403.442 1.716 30 10 HDEE N#Cc1cc(NC(=O)Cn2nnnc2-c2ccccc2)ccc1N1CCC(O)CC1 1137498674 CATGLQIIBXOYHR-UHFFFAOYSA-N 403.446 1.812 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1147235020 QOTXULNVAATEMD-UHFFFAOYSA-N 409.490 1.870 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1cccc(Br)c1 1151049961 FKXDMOHJLNNYEC-WCQYABFASA-N 401.286 1.045 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1161286387 XQJSRJKWHCPDDV-HRCADAONSA-N 416.540 1.651 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H]1C 1164262770 WLBCBBKRADIBLG-CLCBPEALSA-N 404.511 1.897 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3c(Cl)cc(C#N)cc3Cl)CC2)CCOC1 1167321312 PBPITLYUPVOYAC-GOSISDBHSA-N 412.273 1.955 30 10 HDEE CN1CCn2c(CCNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)nnc2C1=O 1176816595 NZWLOXZTZHAKSI-UHFFFAOYSA-N 420.429 1.380 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@@H]2C1 1179498417 AFABQQXBRYUPED-QXSJWSMHSA-N 405.476 1.114 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1182868704 FQABTVUPPQRGBS-LBPRGKRZSA-N 413.883 1.312 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2COC)CC1 1201819317 XIFOPOLUEUXCQF-UHFFFAOYSA-N 400.888 1.104 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1212392053 DNPONACXRBJCNV-GFCCVEGCSA-N 404.282 1.678 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccnc(-c3ccccn3)n2)n1 1246382109 NFYSIWPABGQSBT-UHFFFAOYSA-N 405.462 1.727 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCC[C@@H](CC#N)C3)CC2=O)C1 1256122009 BOWPCRHWIUGINZ-LSDHHAIUSA-N 405.499 1.542 30 10 HDEE COc1cc(I)c(C(=O)N[C@](C)(C#N)CN(C)C)cc1OC 1271757929 PRTPZTVGNXYMIF-OAHLLOKOSA-N 417.247 1.882 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@@H]2CCOC2)cn1 1286304909 YOUPDULDBGVPQG-PKOBYXMFSA-N 422.537 1.998 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)C1 1286322857 HJOTVUGUFDXKKB-IAGOWNOFSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1286406922 ADEXLIACCBQFRD-UHFFFAOYSA-N 420.429 1.102 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC1CC1 1286422972 DOUSIAGWTPBLNU-UHFFFAOYSA-N 419.485 1.705 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2Cc2nncn2C)CC1 1286484318 LVNYCQCSPOYJDC-UHFFFAOYSA-N 420.521 1.352 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)SC)CC1 1286491161 HOOXDJQKEOMRTB-INIZCTEOSA-N 412.563 1.981 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286536649 REWSSOCCMXXJRQ-LRDDRELGSA-N 411.348 1.484 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1288248892 ZQHOTWKMCDTVRI-UHFFFAOYSA-N 421.461 1.804 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O 1291775845 MQWBTMUZITVNEP-HZPDHXFCSA-N 415.556 1.614 30 10 HDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1295933041 CCXIRULIIDOZTK-KRWDZBQOSA-N 420.477 1.305 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@](O)(C(F)F)C1 1298157038 GFJIOJSJUNKGKO-GOSISDBHSA-N 415.462 1.514 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)C(=O)/C=C\c1ccc(F)cc1)C1CCCC1 1299206712 PWQLBQSPQDIISC-QJWNTBNXSA-N 411.499 1.479 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1300454968 CPOILHSLOJSKEE-UHFFFAOYSA-N 421.505 1.830 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCC1 1300506708 XHRHPDWHQCLDOH-UHFFFAOYSA-N 419.551 1.237 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CC(=O)NC)CC1 1301508512 NBRQHECVIPSWPY-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2OCCC2(C)C)C1 1301555811 DLDHBQXSBSBXBL-BBWFWOEESA-N 424.567 1.777 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1301611948 IWRCQACJCWKILX-KBPBESRZSA-N 414.553 1.099 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1301967069 AIGRAFBHNASWSU-OIISXLGYSA-N 415.519 1.780 30 10 HDEE COc1cc2ncn(CCCC(=O)NCc3cncc(C#N)c3)c(=O)c2cc1OC 1303863466 BVGDZJKZONDFHE-UHFFFAOYSA-N 407.430 1.777 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cs1 1306036484 DPVHSBSTDQMGPK-QWHCGFSZSA-N 408.553 1.986 30 10 HDEE C[C@@H](NC(=O)[C@@H](C)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(S(N)(=O)=O)cc1 1308116730 JCJTZWYMIPABEM-HUUCEWRRSA-N 421.519 1.237 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)c1 1309080708 FQFZEVCRLNRDIR-UHFFFAOYSA-N 404.469 1.013 30 10 HDEE N#Cc1csc(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)n1 1312588723 HEJJPYKCDVGUGW-UHFFFAOYSA-N 413.912 1.836 30 10 HDEE COc1ccc(CNC(=O)NC(C)(C)c2cccc(C#N)c2)cc1S(N)(=O)=O 1312807981 YAHVDDJFGSYEMK-UHFFFAOYSA-N 402.476 1.949 30 10 HDEE COCCN(C)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1316074144 QAACHGCLFBSFHP-HNNXBMFYSA-N 420.464 1.454 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C)O1 1316503531 XXXAHQNUUMHPBL-CALCHBBNSA-N 415.494 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1358897728 FMAZIQYRGWYJOP-AWEZNQCLSA-N 410.457 1.899 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1358963281 FKZGMGXTZREUAU-IAGOWNOFSA-N 418.519 1.667 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1358983376 FTZWCIVUIIKASN-WIYYLYMNSA-N 415.563 1.410 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1359049277 LRYUYXDTJMHYLU-CYBMUJFWSA-N 417.626 1.587 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359056244 BBSBLYPAQRANSL-OTWHNJEPSA-N 419.595 1.695 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCOC1 1359089969 SEHVKCDKOUOOBX-KSZLIROESA-N 403.527 1.968 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1359231546 YZTREKHKCVYBOQ-CQSZACIVSA-N 416.511 1.140 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1359243411 QTPXIZLQZADHAJ-UHFFFAOYSA-N 424.549 1.903 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C)c1 1359327038 QGAGFKWNEGFADQ-UHFFFAOYSA-N 419.551 1.962 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)Nc3nn(C)c(C)c3C#N)CC2=O)cc1OC 1437099182 JLIQJJJAAVZYDA-HNNXBMFYSA-N 411.462 1.647 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc4c(Br)cnn4c3)C[C@H]1CS(=O)(=O)C2 1439608786 ANBSHPALKNTCPB-NHYWBVRUSA-N 409.265 1.107 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)c(Cl)cc1Cl 1445696345 XBIVDVOQCSGONG-UHFFFAOYSA-N 404.275 1.595 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2ccc(Cl)cc2Cl)CC1 1455115825 SHNWILYKWGBGFP-CYBMUJFWSA-N 418.346 1.784 30 10 HDEE COC(=O)[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1466407089 WKJIEXAIUSSPHI-HOTGVXAUSA-N 403.435 1.043 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](CS(C)(=O)=O)C1 1468507682 SRQFHUGGTYTPOI-CABCVRRESA-N 401.529 1.857 30 10 HDEE CC(C)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CC=CC1 1469589399 KDTKDOKPSBHRCC-SFHVURJKSA-N 405.520 1.585 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)nn1 1470584338 OONGZESESZICAF-INIZCTEOSA-N 408.503 1.368 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CCN(C)CC1 1471147131 AHNHUYAUBYONCO-SFHVURJKSA-N 420.554 1.448 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)C1 1471833449 YSRJHNKXWLSDEM-HYBUGGRVSA-N 418.497 1.821 30 10 HDEE COC(=O)[C@](C)(NCC#CCN1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 1473696283 HDDLTVOKDSYXGW-JOCHJYFZSA-N 421.409 1.872 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(-c2ccccc2)c1C 1473830601 CHIISFOIVSUCEB-FQEVSTJZSA-N 421.501 1.789 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 1478821722 JYFNJGUGKIDLFU-OAQYLSRUSA-N 411.550 1.281 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(c3ccc(C(=O)OCC)cn3)CC2)C1 1479313463 NYBBWJZTNFCWCN-LJQANCHMSA-N 413.522 1.578 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)on1 1493143486 CUMOZCNOBRZGNH-KSSFIOAISA-N 404.496 1.655 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(C)(C)C(=O)NC 1499184201 DSANTCIGQOSOMK-UHFFFAOYSA-N 409.538 1.807 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1501166857 FBVJCTROWQZFJF-KXBFYZLASA-N 422.555 1.227 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)cc1 1505000202 PSRRQKUFBWRFHU-APWZRJJASA-N 415.494 1.982 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1507527936 WRLACUZYXHLCQZ-MRXNPFEDSA-N 412.519 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)nc1 1507545948 CUWJRTNNQDGJIY-FNHZYXHNSA-N 412.494 1.862 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507628159 VFJOBFWRNIJRLO-LJCCNALRSA-N 422.551 1.526 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1507660611 BTFZPOJATBABRP-NNMXDRDESA-N 416.522 1.322 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)NCCC 1507699442 GQQUTVCBJSXKQY-UHFFFAOYSA-N 414.485 1.721 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1507983452 QNRSMRSKOIVQOO-GJZGRUSLSA-N 404.492 1.642 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1508095737 SAPVGZUWICMCBO-IBGZPJMESA-N 424.549 1.861 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1508149439 VBOHOMSVDKWJSI-FRQCXROJSA-N 412.556 1.766 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1512577540 BQSUVGFXGBNATF-IIBYNOLFSA-N 413.478 1.495 30 10 HDEE C=CCn1cc(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1 1518534080 GPQAPFYKORUUJN-UHFFFAOYSA-N 404.370 1.566 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1519432856 UJOFBYPYTWUQJK-NKMKZGIRSA-N 419.526 1.672 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1519520950 BGERIDXFFFIXNC-JKSUJKDBSA-N 411.528 1.116 30 10 HDEE Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1525869360 DXLFSQQUQHQLIC-HNNXBMFYSA-N 416.489 1.826 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@H](C)C1 1532096919 IOFRFECEJLQSLQ-GFCCVEGCSA-N 414.325 1.746 30 10 HDEE N#CC1(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCSCC1 1538129958 VNUNKAVZNJNVLN-UHFFFAOYSA-N 405.904 1.911 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1539069327 ATOPMXHACRGAAC-TUNPWDSISA-N 414.506 1.639 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1539115677 GHCPCWZAVBNFCQ-UHFFFAOYSA-N 419.449 1.778 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cn2ccccc2n1 1539284576 RLTYMDDXYQRSIZ-RXVVDRJESA-N 418.501 1.965 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539369287 IUFQMLBLDKEQJA-INIZCTEOSA-N 403.508 1.198 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1539378302 XDKZIRCANWLENP-UHFFFAOYSA-N 401.492 1.623 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@]2(O)CCOC2)n1 1539424866 XGYYUKVCFIELRU-NRFANRHFSA-N 414.510 1.180 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539444160 HQMHRUQXDHNVKV-LJQANCHMSA-N 411.554 1.385 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539524717 NKWKPBXBEAZUDM-QGZVFWFLSA-N 416.551 1.364 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@@H]1OC 1539563813 QDSAMALRFNLRPB-XGHQBKJUSA-N 401.511 1.444 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(C)(=O)=O 1539634549 BIHRXNKDDDHIBX-HKUYNNGSSA-N 419.551 1.726 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCOCC2)CC1 1539823659 HNHJVIRBTZKDAI-GOSISDBHSA-N 402.543 1.639 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1540036437 NCYMTPJNKCIBNW-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1540064207 NZARHTBMNZKEKW-UHFFFAOYSA-N 409.494 1.946 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1540857223 GXPDADJGHUTVJM-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1540876169 JFFMZLZCNYKLCB-IERDGZPVSA-N 421.542 1.625 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(C)CC2)nnc1[C@]1(OCC)CCOC1 1540908507 IFYWVQMGDIWVIQ-IBGZPJMESA-N 412.556 1.767 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1541113361 UYQIEHLWCSERKZ-PVAVHDDUSA-N 406.556 1.956 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 1542161907 VTBJDSIASUVPPP-VFWWHICCSA-N 406.508 1.730 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCCN2CCCO)n1 1543011020 AJJIDJDAUHHASA-QFBILLFUSA-N 414.558 1.582 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1544902212 KDSZAQZZVSKNLP-UHFFFAOYSA-N 419.528 1.955 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1cccc(Br)c1 1545824310 UFKUIEZCMOAUHD-AWEZNQCLSA-N 409.265 1.503 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1547891772 DMLHYGBTORSNCP-YWZLYKJASA-N 401.467 1.916 30 10 HDEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCN2C1=O 1554355001 NUJMJYDCUPLEKB-GOSISDBHSA-N 409.494 1.535 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCSCCCO)CCO1 1555994083 FKHBQVDWLYFPEZ-GOSISDBHSA-N 401.536 1.908 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([C@H](F)C(=O)OCC)C2)s1 1557235113 YIOXDYYSGRBZOP-LRDDRELGSA-N 418.512 1.505 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1557543239 ITGZIXYQLVTLMQ-DENIHFKCSA-N 401.507 1.694 30 10 HDEE Cc1cc(F)ccc1-n1cc(O)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1558511171 NIFADXXMPYBOKE-SGTLLEGYSA-N 404.423 1.036 30 10 HDEE N#CCCNC(=O)Cn1cnc2c(cnn2-c2cccc(Br)c2)c1=O 1559446473 GBPRWDKNWMAVMY-UHFFFAOYSA-N 401.224 1.375 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CC3(CO)CCCC3)CC2)cc1 1559639857 DZRNSJMKPCXIDW-SFHVURJKSA-N 407.536 1.168 30 10 HDEE CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)S(=O)(=O)c1cccnc1C#N 1561923875 FQCJXEOZEJCMEP-JTQLQIEISA-N 400.386 1.490 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 1561956965 JRHZRZXHOFJJGX-UHFFFAOYSA-N 401.532 1.630 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)n1 1562561924 IEJWDDUODBKHGZ-QGZVFWFLSA-N 418.523 1.743 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)c(=O)nc1O 1568464748 FAPJSDYDAICCKM-UHFFFAOYSA-N 417.853 1.577 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)COc2cccc(Br)c2C#N)C1 1583213085 FJMWQQRIMHTYRS-NSHDSACASA-N 416.297 1.240 30 10 HDEE COc1ccc(C2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1583618202 URNKILAXTQVYEV-UHFFFAOYSA-N 414.487 1.535 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4ncccc4[N+](=O)[O-])CC3)CC2=O)cc1 1584365938 OBLCKTYBTQWRNK-MRXNPFEDSA-N 420.429 1.563 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(C(=O)Nc4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1585660722 VCKDRNJQVNGUFJ-LAUBAEHRSA-N 409.467 1.949 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCC#N)CC3)c2)C[C@H](C)O1 1587541217 AFMGVJPBMXAJDV-IRXDYDNUSA-N 420.535 1.156 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cncn1 1587580963 TYKQRNBXGPSINB-CQSZACIVSA-N 411.466 1.721 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1587604816 ZORPIKILPOPYPQ-CYBMUJFWSA-N 404.430 1.674 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1587831780 ULCOGVRHWJUBPX-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 1587955508 BDNHLHREKZQYAI-UHFFFAOYSA-N 407.430 1.935 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1587989477 KHWIQMULAGDSAQ-LSDHHAIUSA-N 411.478 1.640 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(S(C)(=O)=O)CC1 1588020200 IPDMEYADSKJWKU-UHFFFAOYSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588073815 FHIMMZXFTJXCFG-VIPLHTEESA-N 424.567 1.553 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1588752771 VHDJJFWLAXPYOC-QRVBRYPASA-N 419.570 1.961 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1589110075 PGRZKXWZSRGSDI-KRWDZBQOSA-N 415.567 1.563 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1595228458 CVXJLGKHKROYFQ-DYESRHJHSA-N 401.511 1.917 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1595562085 NHOIYSDUWWGTLZ-CQSZACIVSA-N 410.400 1.334 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2cc(Br)cn(C3CC3)c2=O)c1C#N 1609507248 JFZZHTQYGNKZFM-UHFFFAOYSA-N 419.283 1.945 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2([S@@](C)=O)CC2)CCOC1 1610334887 FYFGRFHOBYTBBQ-ATNQDOQJSA-N 409.556 1.968 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1611815619 JGMRIAOQGGRHDI-GJZGRUSLSA-N 413.482 1.689 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccccc2)n1 1612502404 HGFOGOYZKASSIJ-DENIHFKCSA-N 421.505 1.776 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)[C@@H]1c1cccc(OC)c1)C(=O)OC 1617949860 JOCMZSOCPQRZDA-CMKODMSKSA-N 416.474 1.608 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1S(=O)(=O)C1CC1 1618131452 LTSGVZKAXMUBKR-UHFFFAOYSA-N 419.484 1.300 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccccc3OCc3ccncc3)C[C@H]1CS(=O)(=O)C2 1618171695 IPEKXLXQVXUZCB-GHTZIAJQSA-N 411.483 1.600 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1619851912 CDQYQJHBTRBFKJ-NRFANRHFSA-N 413.478 1.761 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1619912449 DDHQCUWTGGELFK-WNRNVDISSA-N 421.567 1.983 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](O)C1 1622479159 SYBNZQUMMJTARY-UONOGXRCSA-N 415.899 1.860 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(S(N)(=O)=O)s3)n[nH]2)c1C 1623931642 MXTYTHWQDIRKTA-UHFFFAOYSA-N 420.520 1.715 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CC(C(=O)OCC)=NN1c1ccccc1)C(=O)OC 1626204514 GNMSXJKSTLOVHD-SJORKVTESA-N 403.435 1.045 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1628895270 REPZZYZFBQQVJT-GOSISDBHSA-N 422.420 1.428 30 10 HDEE C#CCN1CCCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1629542177 CDVHTVWSIYFFDF-MUUNZHRXSA-N 411.568 1.302 30 10 HDEE C#CC[C@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(=O)OC 1629617413 OVPDDAZQOZOYRT-JTQLQIEISA-N 406.229 1.286 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1634174514 HXJFBUICMDTGQO-SFHVURJKSA-N 407.478 1.842 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1635204001 SPXTZEIKFKVENW-KDOFPFPSSA-N 404.529 1.556 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OCc2ccccc2)C3)CC1 1635737066 DPJPTEFQTARZIS-XMSQKQJNSA-N 410.474 1.620 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1OC 1636344659 VIULBHOJVMSDHP-UHFFFAOYSA-N 420.418 1.848 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1636699303 IDHDVXFXONUFSK-SFHVURJKSA-N 408.520 1.733 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638339838 CXYOKFFQFGUKHU-HZPDHXFCSA-N 413.540 1.608 30 10 HDEE Cc1ccc(C(=O)c2ccccc2C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1641033663 FYZJDYUXIKOHCX-UHFFFAOYSA-N 402.410 1.790 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c3c(Br)cc(C)cc23)C1=O 1641675253 RFGHQYOLRABPAK-UHFFFAOYSA-N 420.223 1.549 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](C(F)F)CC1 1642445174 GJVWJTVEZIFGKP-ZDUSSCGKSA-N 401.435 1.388 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(OC)(C(F)(F)F)CC2)cc1 1643058434 LFDOHTDENDPTSD-UHFFFAOYSA-N 404.410 1.782 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCc4ncsc4C3)C2=O)cc1 1643394543 KNNDATSKFFGLBY-BBRMVZONSA-N 409.471 1.893 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(OC)cc1)C(=O)OCC 1648779641 NZIANNDGKYGNQQ-SWLSCSKDSA-N 418.899 1.553 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1649540556 FVAITWVKBVJFFT-OAQYLSRUSA-N 409.494 1.291 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NC2CCCCCCC2)c1=O 1652998381 OTRIFLZEISAOGP-UHFFFAOYSA-N 418.494 1.452 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1653056398 BSIQAZRBMGWFJP-IAFNSTAXSA-N 406.483 1.666 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]12NC(=O)N(Cc1ncc(C#N)cn1)C2=O 1656312198 DJNZBSKWYIMNEH-VLIAUNLRSA-N 414.466 1.854 30 10 HDEE C#CCN(CC(=O)NCC(=O)OC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1660152061 NIXCZZIDJUEDDL-UHFFFAOYSA-N 409.527 1.779 30 10 HDEE N#C[C@@]12CN(CCCCCn3nnc(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1660310146 SSDPIZJESVCRJM-HKUYNNGSSA-N 400.508 1.381 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OC(CC)(CC)O3)CC1 1660790769 ODBKQQGGKVFAKW-UHFFFAOYSA-N 422.507 1.591 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 1661258525 JBFHZRWNJFYNEA-UHFFFAOYSA-N 412.519 1.993 30 10 HDEE COC(=O)C[C@H]1COCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1663679542 CJXJQQAFCIUICZ-JTQLQIEISA-N 421.244 1.412 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CCN(C)C)c2cccnc2)c1 1666272575 XDIOXDIHQPXIHL-IBGZPJMESA-N 402.520 1.969 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1670709386 HGYBRLIDPKLJTO-CEXWTWQISA-N 424.519 1.370 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)nn1 1670839588 ZVWUCGLPMGEETD-UHFFFAOYSA-N 404.901 1.390 30 10 HDEE N#CC[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1678736724 CEPPANLMWLJMPI-MSOLQXFVSA-N 413.526 1.617 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cc3ccccc3s2)CC1 1682955748 NITJWGICROFVFX-UHFFFAOYSA-N 406.533 1.239 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2ccc(Br)cc2)nn1 1683483035 KLUSGNKWQANOOL-AWEZNQCLSA-N 408.300 1.877 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccccc1 1684095722 VWNPTEVZFRNRJD-UXHICEINSA-N 420.517 1.956 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543923 ZIEUZBSRYSTMPR-CABCVRRESA-N 401.467 1.318 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 1686055799 OCJGUCVGEOGNEG-KGLIPLIRSA-N 407.471 1.420 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1689826619 RHWZYYDMTJYIKV-CHWSQXEVSA-N 422.486 1.124 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN2CCOCC2)c1 1689943208 NMEJOTCNHYGCCN-UHFFFAOYSA-N 422.533 1.464 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1689987791 CIWHMBLKBWGIFK-KRWDZBQOSA-N 418.567 1.632 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1690047708 XJEDZRVNSVJWDQ-ZWKOTPCHSA-N 404.536 1.460 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)OC(C)(C)C 1690102629 QNGHPSAZWZVOAY-INIZCTEOSA-N 407.515 1.783 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@]1(N(C)C)CCSC1 1690102988 ZIWVBBMLASFQCU-PXNSSMCTSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1690120132 IDPBFNRMGOJKII-UHFFFAOYSA-N 422.537 1.139 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC(N)=O 1690234850 PFLATHPHLXMXAU-VYDXJSESSA-N 404.515 1.195 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O)C1CC1 1690536677 CRQOILJHBUVDMS-CQSZACIVSA-N 420.539 1.099 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690669932 SOQHRVPFVJMPOO-OAHLLOKOSA-N 424.571 1.004 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCn1cncn1 1698244098 JUMIBCLJQBDGOO-IRXDYDNUSA-N 400.487 1.424 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705538141 CZEWOTAFYGDUBR-UHFFFAOYSA-N 415.542 1.444 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705565643 JBJABYLTZCTPIQ-IAGOWNOFSA-N 410.540 1.571 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1705604726 SHKPILJAYCIMMB-OAHLLOKOSA-N 405.524 1.599 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2CC2(O)CC2)n1 1705631475 GUNWAAYGAHLQEP-UHFFFAOYSA-N 400.527 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C)nc2)CC1 1705649251 QLWKURMBUYYBRP-UHFFFAOYSA-N 403.490 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@H](C(N)=O)C1 1705901810 XGKJDQXTXNKJIY-HNNXBMFYSA-N 421.461 1.214 30 10 HDEE Cc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707874913 KIWJFIVWKAXBPS-SXZOAGKDSA-N 408.462 1.900 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1710202098 UHKROYSYTSCHOD-JKSUJKDBSA-N 411.510 1.946 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCSC2)CCO1 1711362804 GEJPGQSKYYNFRH-DOTOQJQBSA-N 412.519 1.521 30 10 HDEE COCCN1C[C@@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712471347 DMHIGAPUIJZUHH-ROUUACIJSA-N 416.526 1.234 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C[C@H]1OC 1712681970 QWAJQQNOYBNLJP-BGYRXZFFSA-N 408.506 1.929 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722334660 HWKHLMHDKAKLEZ-SFHVURJKSA-N 421.549 1.466 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC1(OCCOC)CCOCC1 1722377915 LHQHFCLHNRGYPB-UHFFFAOYSA-N 411.506 1.569 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1722563881 ZSFKUNVFGBAPCW-ZPHPHTNESA-N 406.450 1.418 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncnn2C(C)(C)C)CC1=O 1729598041 FQRDLODNCDGRMC-UHFFFAOYSA-N 419.493 1.490 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)ccc1OC 1730871206 ADCAYLILWFAFAY-YOEHRIQHSA-N 419.457 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1740554303 XLVFYHDOCSXPNA-HIFRSBDPSA-N 409.537 1.179 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CCOCC1 1740613005 QASSOMBGCZBEAF-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1-n1cccn1 1740637536 DSZVDXPMZDUGAP-LJQANCHMSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)NC(C)C 1740655136 YUBMQWIHLWOFJI-UHFFFAOYSA-N 414.535 1.055 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740876286 QEKWADUJWNLPHU-CABCVRRESA-N 422.511 1.416 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1740885619 KSGBQVYGFGRARB-IRXDYDNUSA-N 404.515 1.174 30 10 HDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1740888176 QEEOVZIHCMPDHN-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)(F)F)C1 1740958028 HFDNLPXSZXBATL-NWDGAFQWSA-N 400.405 1.310 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1741731110 GSUWFLLFNXCSPO-GHTZIAJQSA-N 418.542 1.533 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1746407884 CYFDMPNPIYMLBZ-OALUTQOASA-N 423.521 1.252 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@H]1C 1746445819 DWPZVUGAHJVUPS-MRXNPFEDSA-N 416.551 1.782 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1748839217 PZTSZCJTENNIEV-UHFFFAOYSA-N 400.442 1.569 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOCCN(C)C)CC1 1748984990 YOEAGJUAFZFYDK-UHFFFAOYSA-N 412.538 1.287 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(C)cc(OC)c2)CC1 1748994317 DNHJZITXZKCHPU-UHFFFAOYSA-N 422.533 1.521 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1749135008 BAWYFGHKFJJMED-YLJYHZDGSA-N 403.527 1.507 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749352867 YSLPUUQAQRGRRJ-HOTGVXAUSA-N 400.527 1.831 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1749487154 AZZKXOLNEAKSMB-KGLIPLIRSA-N 421.489 1.687 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749663502 IANCZNUUBDJMFU-KRWDZBQOSA-N 411.510 1.385 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1749672085 PLGMLKXIJPRPIX-GASCZTMLSA-N 404.515 1.446 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1750579857 FCYUHNAEUJNXMR-YJYMSZOUSA-N 402.455 1.142 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCCC1=O 1760171076 GTLUVBBIPUODRN-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1760227881 OVDXZVNTGZVVDI-UGKGYDQZSA-N 419.570 1.747 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1760446998 HZQBBSXAZANXKN-FQEVSTJZSA-N 406.575 1.410 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)C1 1760535011 KCPUIQNWHJSCAJ-DOTOQJQBSA-N 420.539 1.421 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1761360546 OPRQQMLCWVSULI-YASQENCXSA-N 404.496 1.655 30 10 HDEE CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1766592102 OFIQXVYKCNIAQC-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1767871571 RAOBDMXUDIJOIU-JTSKRJEESA-N 422.489 1.684 30 10 HDEE CN(Cc1cnccn1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1768706181 NZCRSLZKMAQCAV-MSUUIHNZSA-N 410.482 1.528 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2nccs2)CC1=O 1769076543 AVKAUCQMCIHWQM-UHFFFAOYSA-N 423.502 1.706 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1770727194 DCVPKCMUVMIMDU-LRDDRELGSA-N 421.445 1.294 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H]1C 1772881885 SZMGCACKFGSJCL-SJORKVTESA-N 420.525 1.812 30 10 HDEE N#Cc1ccc(C(=O)CN2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1849460478 GRFJADPTHYPNAS-UHFFFAOYSA-N 404.414 1.145 30 10 HDEE C[C@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)n1nc(-c2ccccc2)ccc1=O 1849829122 PSZYVILTUBINSQ-OAHLLOKOSA-N 415.457 1.480 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC[C@H]1CN(C)C(=O)CO1 1850225465 IQIWTXOYILIYLC-WOJBJXKFSA-N 404.507 1.369 30 10 HDEE CN1C(=O)N(C)[C@]2(CCN(C(=O)c3cccc([C@H](C#N)c4ccccc4)n3)C2)C1=O 1852550102 JKCIWSVSTBLFIV-ZHRRBRCNSA-N 403.442 1.846 30 10 HDEE N#Cc1cnn2c(NC(=O)[C@@H]3CN4CCN3CC4)c(-c3ccc(Cl)cc3)cnc12 1852623467 DNZIRCMDSOIGEY-KRWDZBQOSA-N 407.865 1.860 30 10 HDEE CN(CC(=O)OCCN1CCN(c2ncccc2C#N)CC1)C(=O)c1ccccc1 1852628311 NUXDNQAOEQTWQN-UHFFFAOYSA-N 407.474 1.391 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N=C1NN(c3ccc(Cl)cn3)C[C@H]1C)CS2 1852787096 QKLUYWBINAGRDE-VXGBXAGGSA-N 418.910 1.908 30 10 HDEE O=C(c1ccc(-n2cccn2)nn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852794426 RYJMCKXJPZWIMZ-UHFFFAOYSA-N 402.358 1.537 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 1852813892 ZPUSDFNXMJHKAX-IBGZPJMESA-N 408.502 1.011 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)S(=O)(=O)C1CCS(=O)(=O)CC1 1853479150 ZGOOXUKFUNJDGF-UHFFFAOYSA-N 424.548 1.221 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1853746450 KERCIGMGVMSNAW-QGZVFWFLSA-N 407.467 1.353 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCOCC1 1854605110 YSUAAZCQKCMMPU-OAHLLOKOSA-N 404.898 1.411 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1854997397 YIWSHBBRGZESCJ-ZWKOTPCHSA-N 403.523 1.287 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCCN([C@H]4CCOC4)CC3)CCC2=O)ccn1 1855321138 KWISQNUMUPWEOP-XLIONFOSSA-N 411.506 1.129 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CCN(CCC#N)C(C)(C)C2=O)COC1(C)C 1855895572 KHORODNMIBCSJW-CQSZACIVSA-N 408.499 1.721 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C(=O)[C@@H]1C 1856283150 RCODFVGPPJZJTO-GJZGRUSLSA-N 409.483 1.741 30 10 HDEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099662 QTBGVFJDWOISJG-UHFFFAOYSA-N 422.386 1.663 30 10 HDEE C#CCOc1cn(CCc2cnc[nH]2)c(CN(CCO)Cc2ccccc2)cc1=O 1870560449 XBPBNMOQFLSOCK-UHFFFAOYSA-N 406.486 1.821 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2cc(OC)ccc2OC)CC1=O 1872981550 IHNOJVVSSNDBNN-SPLOXXLWSA-N 410.474 1.936 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1890847047 GJGYQFBKFBSWKV-WMZOPIPTSA-N 407.511 1.535 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CC#N)CC(F)(F)F 2051060576 ZWKXHCJJYAUKBI-OAHLLOKOSA-N 421.372 1.728 30 10 HDEE C=C[C@@]1(CO)COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2135107720 HFDXLIVWEIYFGY-HXUWFJFHSA-N 422.503 1.032 30 10 HDEE CC[C@@](C)(C#N)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818879 FLXMQYMPSIPZLF-CBZJRKILSA-N 401.533 1.865 30 10 HDEE C#C[C@@H](CC(C)C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2234703345 QSDCUZQISXRCJQ-GJZGRUSLSA-N 400.541 1.963 30 10 HDEE CN(CCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243405384 FLZFJQLSSKOMKN-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267728540 WTXINFODFPDLKU-APXPCNQMSA-N 407.388 1.435 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)S(C)(=O)=O)c1C 2282009050 MKJUEPOXQDYXPO-JTQLQIEISA-N 401.359 1.827 30 10 HDEE CCn1cc(C(=O)N[C@@H]2CCCC3(C2)OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282039387 UUVQTDDFPMLPPC-CQSZACIVSA-N 405.304 1.618 30 10 HDEE CC[C@]1(N)CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332475 BLZOXYZTRSIWHX-KRWDZBQOSA-N 400.375 1.939 30 10 HDEE C[C@H](CC[S@@](C)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602675 WERFJPIVVWMRBR-RPHGYIDUSA-N 400.737 1.921 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)c2)OC1(C)C 2282618802 OSBZMUYEYHAHHJ-ZDUSSCGKSA-N 417.383 1.607 30 10 HDEE CC(C)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C1=CCS(=O)(=O)CC1 2282782632 COFYEZISGGSQAA-DNVCBOLYSA-N 401.525 1.945 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CCO)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282826526 RMTGDQNCKISFKI-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@H]2CCCN2)OC1(C)C 2282842617 APQNHRIPGHOBOE-AWEZNQCLSA-N 400.375 1.609 30 10 HDEE CC1(C)C[C@H](CO)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849313 ZMJFSUUNODHWJF-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1[C@H](N)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871692 KUSNQYUQLIKIRW-TZMCWYRMSA-N 400.375 1.689 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284394862 DMOKHTXUWYJYCR-NSHDSACASA-N 403.331 1.969 30 10 HDEE Cc1cc(S(=O)(=O)NC(C)(C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284404632 ZSCDPLSETZOSAS-UHFFFAOYSA-N 403.331 1.887 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@H]1C(=O)O 2284405089 GKKHPJINTCLWOG-HBNTYKKESA-N 401.315 1.435 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](F)C(=O)O 2284407790 PDKORAXGZQPKPZ-BXKDBHETSA-N 407.294 1.384 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC(F)(F)C[C@H]1C#N 2286065402 NWOIONNNFRYACG-NEPJUHHUSA-N 407.439 1.170 30 10 HDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 2296609521 IFSSZULOEMUMHL-GOSISDBHSA-N 414.462 1.384 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2298374830 PMNVELFTKABNPK-WHOFXGATSA-N 418.303 1.447 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2317413888 UDOGUOISMQRUIP-FXAWDEMLSA-N 408.520 1.175 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OCc2ccccc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c1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 26073426 KRBSTGOLYSHFRK-HNNXBMFYSA-N 409.471 1.670 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N(Cc3ccc(C#N)cc3)CC(F)(F)F)cnc21 43243194 IDSJDNSRXBYMRC-UHFFFAOYSA-N 404.352 1.593 30 10 HDEE C#CCOC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 56923170 PHIHVYXRDJFTPX-QGZVFWFLSA-N 406.504 1.210 30 10 HDEE CC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 59889240 HRHWIGOOYKVOHV-WOJGMQOQSA-N 407.504 1.130 30 10 HDEE C=CCn1c(=O)c(N2CCN(C(=O)c3cccc(OC)c3)CC2)nc2cccnc21 64579070 RJZCBTOGJYZDEI-UHFFFAOYSA-N 405.458 1.949 30 10 HDEE CN(C)/C=N/c1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COCc3ccccc3)O2)c(=O)[nH]1 110340820 OIKGPJJVOMKAPB-WEDBXMNCSA-N 412.450 1.206 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 409653464 UGPUTGCGZHBVIK-KRWDZBQOSA-N 420.517 1.949 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1I 427792222 ZCFNBAYDDINEPU-ZDUSSCGKSA-N 406.245 1.903 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)N=c1ccn(-c3cccc(F)c3C#N)[nH]1)C2 432438022 VYASEQRBKMWMIL-RNODOKPDSA-N 413.409 1.348 30 10 HDEE CCn1cncc1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 433639242 XIIZJSCJOVGANK-UHFFFAOYSA-N 417.470 1.593 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)c1 443942564 QUYVYHDWOONZAH-QGZVFWFLSA-N 417.535 1.592 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)cc2C1=O 448261543 FNGOBUDQBWGCHS-LJQANCHMSA-N 419.481 1.618 30 10 HDEE COC[C@](C)(C#N)NC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 464179392 FWVRFDDMJCYEAY-KCYSQLMOSA-N 419.481 1.511 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(OC)ccc2OC(F)F)CC1 465278404 OVDRNAYUXNKSEE-UHFFFAOYSA-N 412.437 1.426 30 10 HDEE CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(c2ncccc2C#N)CC1 475568941 BXHGAAVUNLASMM-UHFFFAOYSA-N 407.478 1.468 30 10 HDEE Cc1cc(C[C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)n[nH]1 482935505 KXKVKYVJKKTKPN-CYBMUJFWSA-N 414.897 1.639 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 506023493 YTYHPNDXWNOQRG-UHFFFAOYSA-N 404.536 1.286 30 10 HDEE Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2ncccc2C#N)CC1 508558841 ULVAWXMJQWJYLY-SFHVURJKSA-N 403.446 1.921 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(CC)cc3)c3c2CCC3)CC1 508725407 HVCZLKWXEQIWJH-UHFFFAOYSA-N 421.545 1.983 30 10 HDEE N#C[C@@H]1COCCN1C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 514894562 KDNNWELLVJMYDW-ZSXPZZPQSA-N 417.465 1.217 30 10 HDEE CCOc1ccc(NC(=O)CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 516374006 BNNOGMAEGWLEIF-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 524367023 GLVZMJLAWPLPKX-QGZVFWFLSA-N 406.552 1.306 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3nnc4ccccn34)C(C)C)CC2)o1 541614650 SPBWJYSKDILLMS-LJQANCHMSA-N 422.493 1.533 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3CCN(S(=O)(=O)CC)CC3)cc2C1=O 544481018 FFHVVCZTJVWDDE-UHFFFAOYSA-N 419.503 1.260 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 549278487 BAZMLXWIUXSKBV-MSOLQXFVSA-N 404.515 1.989 30 10 HDEE Cc1nn2c(S[C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)n[nH]c2nc1=O 557894603 FSTXDMORXYTFGM-MRVPVSSYSA-N 401.477 1.662 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](N=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)C1 561431339 ONTFBKXJQAKEEZ-LLVKDONJSA-N 413.425 1.628 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)c1 568804805 IOCXSYIAQXGVKE-IBGZPJMESA-N 414.443 1.203 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)C)CC1 579847434 QKJUNTJFGDVGCY-UHFFFAOYSA-N 421.509 1.802 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)s1 582195367 AJSOBWBJISHGQO-CQSZACIVSA-N 417.556 1.486 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)CC2)nc1 587653306 GFELFWHFEQATKB-UHFFFAOYSA-N 421.505 1.666 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccccc1C 603924315 YAXZDMBVZMFYHE-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(C#N)cc2F)[C@H](C)O)cc1 611527253 WLWDJHZLMVIBCT-UGSOOPFHSA-N 405.451 1.350 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2)c1=O 677123829 QXOLIZPSAKJYPR-UHFFFAOYSA-N 404.495 1.988 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2sncc2Br)c1=O 719821923 ZKMZFRIXQMSCAC-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1 732494797 NJKUQPWGUGTWKN-AZUAARDMSA-N 416.437 1.810 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(CC)c2)c(=O)n1-c1ccccc1C 732560950 DLRCLKWQIKNXIO-UHFFFAOYSA-N 419.510 1.229 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCN1C1CC1 732705976 AKTJNTYPLATXIN-FQEVSTJZSA-N 423.517 1.886 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1)c1ccc(C#N)cc1 740202148 CWXPGZAOONGGGM-QGZVFWFLSA-N 418.427 1.811 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCc1nc(-c2cccc(Cl)c2)no1 746021507 GLHFWBJFBMWRLE-HTXNQAPBSA-N 415.837 1.965 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CN(Cc2ccccc2)CCO1 746289277 AFZQWVBGPIWCOG-VAYKLRKYSA-N 412.490 1.309 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1C#N 747498220 PNDLVCIAALIDJK-UHFFFAOYSA-N 423.397 1.818 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 749283971 KMASDALEXFVGBA-LJQANCHMSA-N 423.966 1.107 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@@H](C)Oc2ccc(C#N)cc2)C1 749517930 AVSNWRACMKADLQ-VQIMIIECSA-N 403.479 1.342 30 10 HDEE CCn1nc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(=O)c2ccccc21 757579132 QIKYNPZLNNCCFI-UKRRQHHQSA-N 411.462 1.905 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 768752044 BTJHEUPQRUNHLD-PKOBYXMFSA-N 416.909 1.783 30 10 HDEE C#C[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 774284107 KNPHCLBVJBJFLJ-CRAIPNDOSA-N 411.531 1.969 30 10 HDEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 775028396 DDCIAEFTJKMIIH-IWHJNQCMSA-N 405.476 1.190 30 10 HDEE C[C@H](OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)NC1(C#N)CCC1 787802982 HDEQDPMLSQYBTR-LBPRGKRZSA-N 417.466 1.811 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)n1 788364824 AAYMDSAIZJYGFI-JOCHJYFZSA-N 409.490 1.780 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 790232644 GZCKOWXZNLODQD-LJQANCHMSA-N 408.433 1.846 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(C)c(Br)c2C)CC1 790591728 SFYSGTCHMILUPM-UHFFFAOYSA-N 406.324 1.963 30 10 HDEE CC1(C)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794316848 IWPVKDZTWIADAI-HXUWFJFHSA-N 421.519 1.302 30 10 HDEE Cc1ccc(C(=O)NS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)cc1C#N 799619429 JAYYUXMSOOEWIH-UHFFFAOYSA-N 411.443 1.693 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53 800412533 ZQQDYITYNBATGQ-FJOVAFFXSA-N 422.384 1.709 30 10 HDEE C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC(=O)N1C 800527158 WKVCQJBKMXMGHO-MMOSJZJFSA-N 407.496 1.194 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 800707545 SJAGCLHWISFCDT-ZJYNUGOYSA-N 412.494 1.635 30 10 HDEE C#CCN(C(=O)NCCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1CCS(=O)(=O)C1 812441758 GFTMVOFKLOEDIW-HNNXBMFYSA-N 404.448 1.451 30 10 HDEE C#CCN(C(=O)c1ccn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 814348883 NDOMOLRJVMURBL-OAHLLOKOSA-N 422.304 1.897 30 10 HDEE C#CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 920014772 FDOKPVCLNQKFQL-UHFFFAOYSA-N 415.309 1.565 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nn(C)cc3C#N)cc2)C[C@@H](C)O1 1126708200 AIEVPCDCOAOMCB-CHWSQXEVSA-N 403.464 1.342 30 10 HDEE C[C@H](C(=O)NCCc1ccc(C#N)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1130907125 BROGGUOKARUNHB-OAHLLOKOSA-N 400.479 1.685 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1132098520 KUUZWYIRHFQSLY-UHFFFAOYSA-N 414.487 1.703 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)CC1 1132698912 GULKPOCNYFTYJX-RDTXWAMCSA-N 404.467 1.839 30 10 HDEE C=CCNc1ncc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)s1 1141480096 YBLVXKBGZHFGGL-UHFFFAOYSA-N 409.537 1.597 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(O)cc1)CC1CC1)c1cc[nH]n1 1150537236 ZANHBWIOQCMGFS-UHFFFAOYSA-N 400.435 1.838 30 10 HDEE CN(CCc1cccc(C#N)c1)CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 1175531290 JNPANERTUCHBDH-UHFFFAOYSA-N 418.505 1.058 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)c1 1177097174 QCPXPLSRHRCXNY-ROUUACIJSA-N 407.488 1.476 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCS(=O)(=O)C2(CCC2)C1 1178547291 FZXMOISCTVMFBK-MRXNPFEDSA-N 415.519 1.767 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC2)c1)C(=O)OC 1189692305 IUVVKRDFSWXZTB-MRXNPFEDSA-N 414.455 1.084 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1)C(=O)OCC 1193572462 DJEUEIISEPPIRN-HNNXBMFYSA-N 400.884 1.931 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCN1Cc2ccccc2OCC1=O 1255287239 WGBCXPRCDNNXHW-LJQANCHMSA-N 408.458 1.654 30 10 HDEE C#CCN1CCC(C(=O)NCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CC1 1284788431 HIXOCHAJVJJCPT-TXVWBRJLSA-N 401.551 1.498 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1286272300 AXRNMHWPPMFKBU-AVYPCKFXSA-N 417.535 1.180 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286284276 AJNLHZBVVMWQCW-AWEZNQCLSA-N 415.498 1.430 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286404305 RTDGYMXWEYIYDU-RBUKOAKNSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1286404585 VYVRRRCOCLEUJE-UHFFFAOYSA-N 410.503 1.217 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](F)COC 1286462153 DMBMXIBSSDELJO-CQSZACIVSA-N 414.441 1.664 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286465422 MYGXVAZTSFXYAI-KNKQGSTJSA-N 418.538 1.986 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2CC(F)(F)C2)CC1 1286473887 YZQDOMBHYFYYKI-LJQANCHMSA-N 409.481 1.731 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1286482492 SWQHPQZODRAZIS-GDLZYMKVSA-N 415.538 1.674 30 10 HDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1286708568 QSETXFWWXRWOKF-UHFFFAOYSA-N 423.315 1.955 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286783377 QACAVEONZYMPOK-UHFFFAOYSA-N 414.510 1.890 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)C1 1287787691 IASHNFGETCFHEU-SJORKVTESA-N 405.547 1.369 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1288999361 LOBVRHRZJLWEOS-IRXDYDNUSA-N 412.469 1.651 30 10 HDEE Cc1nnc(N2CC[C@H](Oc3ccccn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290803267 GURIBQACYMLFET-MJWGMMHASA-N 409.450 1.166 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CCOCC1 1291689073 KUOPYCLVKJCYRF-WAPOTWQKSA-N 402.535 1.975 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)c1 1291814826 VMGJUBRNARIZMX-UHFFFAOYSA-N 401.463 1.388 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2nn[nH]n2)cc1 1291831756 HZELSVDGGUMRMK-LTGZKZEYSA-N 405.484 1.364 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2nn[nH]n2)cc1 1291831763 HZELSVDGGUMRMK-PGMHBOJBSA-N 405.484 1.364 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1294851237 IXSFBYFXEJJPRP-LJQANCHMSA-N 417.445 1.364 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@](C)(C#N)C1)S(C)(=O)=O 1295814872 CXUMUFIGEHXTNZ-APWZRJJASA-N 424.571 1.931 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](c1cnn(C)c1)c1noc(C)n1 1298587993 DKJNMEFSXHKZNV-GJZGRUSLSA-N 402.455 1.624 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1300492598 NSUATKSZNAQIGX-KRWDZBQOSA-N 402.524 1.437 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1300569785 BBRCCBMPUZGZST-FQEVSTJZSA-N 405.550 1.829 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)COc1ccc(C#N)cc1 1300933116 ZWKSUZHKRAXEEY-HXUWFJFHSA-N 405.451 1.052 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1302314623 GXCBACVYFQLFIY-CQSZACIVSA-N 404.496 1.282 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1303641325 QGWIZLONSMNUBH-CJNGLKHVSA-N 413.457 1.735 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 1306606684 HZLLJLJWWZMQAP-UHFFFAOYSA-N 424.486 1.561 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4cncc(C#N)n4)C3)[C@@H]2C1 1307195614 ZLMQNOFECOSGHK-KFWWJZLASA-N 400.439 1.367 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1308138724 XXAZHSXENYRCTL-AWEZNQCLSA-N 404.492 1.143 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1313493386 YARZTUOHXFTHNV-SJORKVTESA-N 407.478 1.058 30 10 HDEE COC1(c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)CCOCC1 1321239585 ZQPQZPFZYJAWIT-HNNXBMFYSA-N 411.418 1.651 30 10 HDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1321741807 AHVYVEGSTJPCSY-MJWGMMHASA-N 417.510 1.193 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1358967084 DBNFRHFWHYJDOX-INIZCTEOSA-N 410.540 1.401 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1359010641 VSIAFWVNVVWLCX-MSOLQXFVSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(CSC)cc2)CC1 1359034842 DVHZGRHITHADRH-IBGZPJMESA-N 424.574 1.896 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnccn2)CC1 1359054909 LWXBVSTVDFIHEF-UHFFFAOYSA-N 409.523 1.162 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359149458 AMSJPCWNFHAENL-CABCVRRESA-N 423.949 1.018 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1359342511 ZFUQCYQKCQUCIQ-INIZCTEOSA-N 409.556 1.910 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)F 1359469150 YUEVDCPNWRJBFD-LLVKDONJSA-N 407.381 1.830 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1359661136 DLRMKLHAGGXHAD-OKZBNKHCSA-N 409.494 1.793 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1 1434952560 DIKNMRAONKWGNH-NSHDSACASA-N 402.501 1.653 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1439797202 QAYJLQJEVGLECC-XHDPSFHLSA-N 401.257 1.527 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1 1455115861 SXKZEFWZXUGZSG-UHFFFAOYSA-N 415.899 1.919 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1 1455440113 CMZXCJJAYGDVEA-AUUYWEPGSA-N 416.478 1.537 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1455950762 OKTDOXBWKNFSEZ-LJQANCHMSA-N 405.476 1.371 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CO1 1456677697 XKOQGILVGSIQPJ-CQSZACIVSA-N 424.479 1.159 30 10 HDEE O=C(COc1ccccc1)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458005625 XWUPSMCCVXNWJN-UHFFFAOYSA-N 411.414 1.086 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(C#N)c(Br)c3)cc2S1(=O)=O 1459967449 MGPXPDVCMBNRIF-UHFFFAOYSA-N 410.253 1.404 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CC1 1460809268 WMNCAUBPYCVRNT-UHFFFAOYSA-N 414.554 1.784 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3c[nH]nc3I)CC2)c1 1463914453 NODABNHFULQHQJ-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)N2CCN(CCC#N)CC2)nn1 1471237040 DFZYCSMPQKEJLA-UHFFFAOYSA-N 405.503 1.254 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)OC1(C)C 1471647828 JPEXNJDZPZNLAW-CVEARBPZSA-N 402.304 1.501 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3cc4c(c(S(N)(=O)=O)c3)CCC4)CCO2)cc1 1472149209 SNHNAZCHMNTTMZ-IBGZPJMESA-N 411.483 1.908 30 10 HDEE COc1cccc(CC(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)c1 1479558625 CEXUXZZERFYYOH-UHFFFAOYSA-N 400.479 1.412 30 10 HDEE Cc1nc(C)c(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)s1 1492656590 DCSFYWREROHQLD-AWEZNQCLSA-N 401.496 1.365 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1494589082 BGUSGZRLCDDLDE-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCN(C)C(C)C 1499140419 CXRZGCUAZVPNMH-UHFFFAOYSA-N 413.574 1.811 30 10 HDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1504788631 GOOHQQRNBPIULV-GOSISDBHSA-N 409.494 1.847 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(F)cn2)cc1 1505318351 HQNYUOCQFRHVOY-OAHLLOKOSA-N 421.436 1.623 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1507513621 AURHXAGKQVIIRM-STQMWFEESA-N 408.553 1.511 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1noc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507621802 CQCKGPPHLWVORZ-AWEZNQCLSA-N 420.539 1.390 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507633412 SGYALNHZSFELRG-HZPDHXFCSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@](C)(O)C2CC2)CC1 1507721361 RYCJTIJKVOFLOK-OAQYLSRUSA-N 410.478 1.770 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCOCCCO 1507760613 BLKLCHAFUJBAJS-RTWAWAEBSA-N 406.527 1.710 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507798304 HAQUYGRNOXWEHJ-JZXOWHBKSA-N 413.526 1.622 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCSC2)C1 1508118090 WMPLPAGAUYOYGP-AHRSYUTCSA-N 424.567 1.580 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC(C)(C)C2)C1 1508120721 AOVFLLFUBTXKIR-SJORKVTESA-N 418.542 1.121 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC)C1 1508122802 AQLROVOTWIFEBE-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)C1 1510288480 BJBOJYSEBZZVFG-SFHVURJKSA-N 400.508 1.925 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1512576459 GEHSDRXNAAYTAM-ZHRRBRCNSA-N 419.489 1.826 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1516845541 CJKFIUJBXQTOMC-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE CS(=O)(=O)CCn1ccc(NC(=O)Cc2ccc(Br)cc2C#N)n1 1523263117 NSVWWQWTCWGFMH-UHFFFAOYSA-N 411.281 1.743 30 10 HDEE CC(C)C[C@@H](C#N)NC(=O)c1ccc(I)cc1-n1cnnn1 1528058323 HWQDFSDWMOKHOX-NSHDSACASA-N 410.219 1.935 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1536479692 XWAJFONVUMLECJ-UHFFFAOYSA-N 414.487 1.807 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCCN1CCOCC1 1538975846 FBPDRFODQKKJCP-NQIIRXRSSA-N 405.543 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccn(C)n1 1539405545 CRVSSDCGUVEGSE-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C=C1CCN(c2nnc(-c3cc(Br)cn3C)n2Cc2nnn(C)n2)CC1 1539836178 OVLXNGZVJQHVIH-UHFFFAOYSA-N 418.303 1.774 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)c2ccc(Br)cc2C#N)C1=O 1540145574 YOAZEEJSYQIFER-GTNSWQLSSA-N 405.252 1.771 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1540641205 KCGICAUVAYZPEW-CYBMUJFWSA-N 415.537 1.579 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540902003 XKFWNFKKNSJUFD-OAHLLOKOSA-N 406.512 1.832 30 10 HDEE C[C@@H](C#N)CN(C)C(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1542216689 ABLABGGGLHDPJX-VBKZILBWSA-N 411.499 1.952 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1546731635 DXSOKBLQYTWOEQ-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1556742393 NTOUGGAZQNAEQG-OAHLLOKOSA-N 407.341 1.801 30 10 HDEE CCOC(=O)[C@H](F)C1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556778206 XNHUIKHICHPLMC-NVXWUHKLSA-N 416.409 1.123 30 10 HDEE COc1cc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)ccc1C#N 1556993678 WIJMDUHYZSLVSJ-UHFFFAOYSA-N 407.423 1.504 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1557311217 KAUVJWMGZVLPMC-UHFFFAOYSA-N 417.510 1.359 30 10 HDEE CCOCCOC1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1559485084 UQCTXLKWPWPPEH-IBGZPJMESA-N 420.579 1.974 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CNC(=O)c2sc3ccccc3c2Cl)CC1 1566318164 UUXBSORMYKFQAK-UHFFFAOYSA-N 404.879 1.869 30 10 HDEE COc1cc(N)c(C(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1Br 1566445737 PVXPZTMIAQEBMT-UHFFFAOYSA-N 407.272 1.922 30 10 HDEE CN(CCN(C)C(=O)CNc1ccc(C#N)cn1)CCN1C(=O)c2ccccc2C1=O 1569932441 QATLMGSXYYBHFN-UHFFFAOYSA-N 420.473 1.052 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1583980171 LAKGSEULSOTUMF-INIZCTEOSA-N 414.487 1.806 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1587739625 WYUNKFKMFRAJMZ-UHFFFAOYSA-N 406.490 1.915 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1588074944 USEANHBJTGXLEF-INIZCTEOSA-N 423.564 1.449 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCOCCOC)CC1 1588908510 SCUXWOCGPKKGGM-UHFFFAOYSA-N 411.506 1.574 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)CC1 1589048179 XAWUZCVYBOQJTJ-UHFFFAOYSA-N 410.551 1.710 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1595100714 SIETYCHPRTZQAN-NFBKMPQASA-N 422.533 1.913 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1595760396 MLJBLNUOPZIEFI-ZBFHGGJFSA-N 424.571 1.433 30 10 HDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1597509005 IYYKGPUIQUBIMH-UHFFFAOYSA-N 408.458 1.264 30 10 HDEE COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCN/C(O)=C1\N=CC=CC1=O 1597567838 YQCSSWWOZGJZNY-VHEBQXMUSA-N 421.837 1.464 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2CN2CCNC2=O)c1 1597872412 DCWLRPKUMLRALJ-UHFFFAOYSA-N 416.434 1.900 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(C(N)=O)c1 1612600149 VZOZTZDGINBFGF-UHFFFAOYSA-N 402.462 1.327 30 10 HDEE CC[C@@H](C)c1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1613179627 BSZPTBYCRCBTDR-MEUCICPISA-N 424.509 1.787 30 10 HDEE CCN(CC)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1615316470 CBKCIYHEMUPUKE-GOSISDBHSA-N 423.521 1.777 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(Cc2cc(O)n3ncc(C#N)c3n2)C1 1615669758 XBVGZYWFYGCEBQ-GFCCVEGCSA-N 410.400 1.929 30 10 HDEE CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCOC1 1616776891 KEUVVRBFQTVXKA-FQEVSTJZSA-N 422.503 1.995 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccnc3OCc3ccccc3F)C[C@H]1CS(=O)(=O)C2 1617486938 KDEZQSKHHJLHFQ-YWZLYKJASA-N 415.446 1.810 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1618161196 KLYUDHCJHVKNIZ-BMRADRMJSA-N 405.409 1.891 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1CCS(=O)(=O)c1cccc(C#N)c1 1620668464 YDYPQQLUJXWAFO-LJQANCHMSA-N 400.456 1.637 30 10 HDEE Cc1nc(SCC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(C#N)c(C)c1C 1623581888 YDZCYGKXZCJKPB-UHFFFAOYSA-N 423.560 1.777 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C1 1625569295 ROWOSMDVDJGNDF-OAHLLOKOSA-N 403.460 1.742 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)Nc1cccc(CC)c1)c1cc[nH]n1 1626056024 RIEFTJUESSRLTO-UHFFFAOYSA-N 401.423 1.011 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1627265789 RXYOBFODBFPUQF-ZFDMEJTGSA-N 406.483 1.879 30 10 HDEE C=CCn1c(SCC(=O)Nn2ccc(O)nc2=O)nnc1-c1ccc(Cl)cc1 1630857850 ATZBCFQGCWBZDG-UHFFFAOYSA-N 418.866 1.909 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1632541736 XVBUKLZPPHAPBU-UHFFFAOYSA-N 415.975 1.104 30 10 HDEE C#CCN(CC(=O)NCC1CCN(S(=O)(=O)CC)CC1)C(=O)OC(C)(C)C 1632572824 VGDDFEKBXDGIMJ-UHFFFAOYSA-N 401.529 1.035 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)CC1 1636475803 XYVKQFKKEXIHSE-HNNXBMFYSA-N 414.531 1.518 30 10 HDEE CC(C)(C)OC(=O)NCc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1636512827 SOZSJDLRCVDFFJ-OXJNMPFZSA-N 419.503 1.722 30 10 HDEE C#CCN(C)CCCNC(=O)c1cnn(C(C)(C)C)c1I 1636805507 HKQOQKXOUBECFJ-UHFFFAOYSA-N 402.280 1.928 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)c(F)c1 1637891018 QWDAFSLHJQSDHA-UHFFFAOYSA-N 412.425 1.297 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1 1638983730 RBBNWPMQAYNVRF-WMZOPIPTSA-N 420.535 1.598 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)C(=O)OC 1639558380 ITTOZKPRCMKSFY-ZWKOTPCHSA-N 405.426 1.215 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cn1 1640012723 IRZAUHGWYMXQIC-ZACQAIPSSA-N 402.520 1.429 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1640868674 RKFRDJJVSYLJFK-HUUCEWRRSA-N 411.499 1.468 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)C4=CS(=O)(=O)CCC4)CC3)n[nH]2)cc1 1640947620 PITNGXZUBUFHIT-UHFFFAOYSA-N 411.487 1.689 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1642069305 CVKNIMRYNPUZRR-AEFFLSMTSA-N 408.545 1.903 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC(=O)Nc1ccc(C#N)cc1 1643858210 VLBNAIBEKLCQJV-FQEVSTJZSA-N 404.467 1.085 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1644078408 GECCDRISTAXQDN-KRWDZBQOSA-N 408.389 1.875 30 10 HDEE CC[C@@](C)(C#N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1650819695 QHBQEYJAXFITJA-ZOZBEKFXSA-N 406.483 1.967 30 10 HDEE COc1ccc(COCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cn1 1650982597 JMDIJROYMHMYFJ-UHFFFAOYSA-N 421.251 1.790 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)[C@H]1CCCc2ccccc21 1652653965 XEWFDEQSNXJHSE-UNMCSNQZSA-N 409.530 1.707 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCc2c(CC#N)cccc2C1 1654412855 YNNWNUFUTQIAPR-HNNXBMFYSA-N 424.526 1.736 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnc(Cl)cc2C(F)(F)F)CC1 1655103082 MATPBZYTWKFJJB-UHFFFAOYSA-N 409.817 1.904 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SC(F)(F)F)CC1 1658467160 WVMNVBCBROAYGK-UHFFFAOYSA-N 422.454 1.916 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3nc4c(s3)CS(=O)(=O)CC4)CC2)cn1 1662616246 CYQOYIWXCJADFT-UHFFFAOYSA-N 418.504 1.235 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl 1664953049 SFROJUBUPSXJEL-UHFFFAOYSA-N 400.975 1.933 30 10 HDEE COC(=O)[C@H]1CC(F)(F)CN1S(=O)(=O)c1cccc(Br)c1C#N 1665050864 CBZPFXZTUVVISZ-SNVBAGLBSA-N 409.208 1.892 30 10 HDEE CSc1ccc(CNC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1C#N 1676035715 VOYVHFHISOYEHG-FQEVSTJZSA-N 404.536 1.695 30 10 HDEE C#CCN1CCC(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CC1 1677039184 FPIFGHPHGZKMGD-UHFFFAOYSA-N 411.594 1.981 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)C1 1677401505 FAHSLDAOYXUSGV-HZPDHXFCSA-N 401.463 1.872 30 10 HDEE C[C@H](C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1683573079 RTUXUDNPOXUUIT-ZXTQRBJTSA-N 414.528 1.258 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1689830861 CZGQICONSVVXOP-FOIQADDNSA-N 417.535 1.880 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689916789 WYJNUCVYOZLFNY-GOSISDBHSA-N 417.535 1.885 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2cnn(C)c2)n1 1690109029 DHGKCVWPVIKEBV-UHFFFAOYSA-N 419.493 1.538 30 10 HDEE C#CCSCCn1c(N2CCN(CC#C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690185661 CEYYIUXDSYUKCX-OAQYLSRUSA-N 417.579 1.440 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690311315 HPFQCQGROSGYBS-MJGOQNOKSA-N 400.527 1.941 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690335801 KOMVBCDOYAVMRG-INIZCTEOSA-N 414.897 1.407 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1690410871 AEMDISOEZPDBAD-KURKYZTESA-N 424.567 1.634 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(OC)C1CC1 1690526974 HHMIWIPPCLJBCK-YJBOKZPZSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690677197 QPQBXAWBENPKEM-CABCVRRESA-N 422.530 1.466 30 10 HDEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1697139481 HHMWCACTMFEMOC-CHWSQXEVSA-N 402.421 1.964 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(CC)C1 1705584469 LKWFUFKUPFWBSY-LJQANCHMSA-N 401.518 1.931 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)C 1705584946 DWTQSGDNXCIJHJ-UHFFFAOYSA-N 412.519 1.115 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1705595024 BTCAYBOXBIVSCB-UHFFFAOYSA-N 410.503 1.439 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1nc(C)cs1 1705627466 HPPANCRLLXSBCM-UKRRQHHQSA-N 402.524 1.884 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1705631613 KEPKFWKZAPJJRB-ZWKOTPCHSA-N 400.527 1.084 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705690257 PBDFMZSMUZMZGQ-VMZNBEPHSA-N 424.343 1.906 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC2(CC2)C1 1705730406 JVFRTWOCORGNEQ-OAHLLOKOSA-N 413.544 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)OC)CC1 1705896647 STJPLKKRAFHQFR-UHFFFAOYSA-N 424.461 1.882 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1706071255 RGPHQWRGYVDQNC-OAHLLOKOSA-N 401.515 1.416 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1706932548 LWVBOFPOFSTHMF-QVKFZJNVSA-N 413.526 1.559 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1708264318 HCUHUJVJWPYRAQ-ZDUSSCGKSA-N 406.537 1.308 30 10 HDEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1711017778 ZMYWXUMQSVNTAI-UHFFFAOYSA-N 424.553 1.402 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCS(=O)(=O)C2)cc1 1711732010 CZFWELAACJXFEV-LSDHHAIUSA-N 403.508 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1722398898 FDCUOANWMAQYLZ-QHCPKHFHSA-N 417.517 1.046 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CC1 1722407584 NRKYOJHUDJWGPM-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1722408221 ACEVUWOQKFPVTN-UHFFFAOYSA-N 402.476 1.711 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCO1 1722423005 WJOFHBBTOSXAPG-GHTZIAJQSA-N 406.527 1.974 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccco2)CC1 1722437217 ARSSYQWOVBBLMD-JOCHJYFZSA-N 406.490 1.904 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1722439830 RDBLILQFRCGTFY-UXHICEINSA-N 410.522 1.071 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2conc2COC)CC1 1722440027 YKITUJYPUNNXTO-UHFFFAOYSA-N 407.478 1.202 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)CC)CC1 1722442226 QDMOFUMRSBRMJP-NRFANRHFSA-N 401.486 1.912 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(F)c1 1722701711 ARCPFLOUJWJYCR-UHFFFAOYSA-N 400.458 1.478 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722727953 QLKBIPARJNMEBE-HZPDHXFCSA-N 419.555 1.255 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)n1 1726033829 IKIXLWRFSWSQGH-QGZVFWFLSA-N 410.526 1.794 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1728604867 CUWCJSFLBRLMBO-OALUTQOASA-N 410.570 1.886 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1729190548 HPBOMAOKPNCOGM-GJZGRUSLSA-N 421.523 1.944 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1730458839 FUSSKCXVVREFMW-JKSUJKDBSA-N 412.494 1.678 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730484010 KQWFPJZNCAWUBU-MRXNPFEDSA-N 410.457 1.851 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1730891786 RKMUUPGZXKVMKP-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(C)=O)CC1 1740632193 OWZZLAWMCRRDEM-KRWDZBQOSA-N 401.511 1.333 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1740674174 WYGOZSDOTSFQFH-UHFFFAOYSA-N 415.519 1.334 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCN1CCOCC1 1740872158 ZUHSUPBKYVIUHM-UHFFFAOYSA-N 423.525 1.655 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1740930985 WRSLZFMBVKYTPN-QGZVFWFLSA-N 402.543 1.643 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCCC1 1740937103 UAUXEUWRIFDYLJ-UHFFFAOYSA-N 404.515 1.199 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCO[C@@H](C(=O)NC)C1 1740971813 XOHPOYFBSXICSV-GOSISDBHSA-N 415.494 1.379 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC[C@H](CO)O2)C1 1740984013 UXALDUDEZNMFAC-GBESFXJTSA-N 416.526 1.461 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740992217 CTKKPRRDHIZRBX-UHFFFAOYSA-N 415.523 1.035 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCOCC1 1741135026 NLSDYEFWBQYZQC-KRWDZBQOSA-N 403.531 1.109 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)(F)C(F)F 1741679038 NRSBWTRRLMRDSM-LLVKDONJSA-N 422.383 1.062 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747540476 GQMJQVNAGLDOKO-INIZCTEOSA-N 411.466 1.143 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1748637472 AJCNRYKPBQNGDN-AWEZNQCLSA-N 416.913 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748666401 ABMUKFHSPSXKTC-YJBOKZPZSA-N 424.505 1.202 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(N3CCOCC3)CC2)c1 1748691400 DCKHMFDIFNRQIN-UHFFFAOYSA-N 408.506 1.508 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1748758188 VGYAFUSQHLBVTE-OAQYLSRUSA-N 411.510 1.299 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1748811516 IEMAVHJRWUNZJC-IRXDYDNUSA-N 416.551 1.384 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1748905863 KVJIAKYCEQPHIL-UHFFFAOYSA-N 412.494 1.971 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NC(C)C)CC1 1748999967 IPBOVMCRDAARDG-UHFFFAOYSA-N 414.485 1.276 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1749066658 MMXZJAAKNJAHMA-HNAYVOBHSA-N 419.551 1.218 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749122698 ZJVLHZUFCRPKAT-SCTDSRPQSA-N 413.526 1.965 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749670993 XOLNQEAIFGLHPM-UHFFFAOYSA-N 422.537 1.762 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC)C2)C1 1749712978 OEEOMDPYNRSFNG-OKZBNKHCSA-N 423.583 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)C1 1749721568 NXRFSMCWIGXNQK-AWEZNQCLSA-N 404.496 1.372 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1750070691 UMUWPEPDOKNXRE-CABCVRRESA-N 415.498 1.322 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@@H]2CCOC2)CCO1 1750385889 CQZYVQFYAPPIOC-CVEARBPZSA-N 418.885 1.918 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[S@@](=O)C(C)(C)C)cs1 1751782249 CAUZCOSYHPZRGW-OHZJNBGDSA-N 422.580 1.910 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1 1751985681 DOCIOEDCZCQORV-QGZVFWFLSA-N 423.521 1.491 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1760117606 RAVOHQSCGZMZPW-WBVHZDCISA-N 417.535 1.539 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1CC[C@H](CO)O1 1760165836 HAZPROQJRXYWKE-UONOGXRCSA-N 408.300 1.655 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cccc(OC)c1 1760206015 PCGPGXWYEOBNMN-LJQANCHMSA-N 421.501 1.684 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCCCS(C)(=O)=O)CC1 1760263057 MCOLXJJHCRGBOE-UHFFFAOYSA-N 421.611 1.981 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760357505 JZGMEQMQRQMZSF-XUVXKRRUSA-N 419.570 1.922 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1760438312 DXOIHMBZLCYFHX-DLBZAZTESA-N 400.527 1.938 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1760456782 XGCGIUJBWIIWSH-CVEARBPZSA-N 418.567 1.962 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1760464272 DMTXEJQKTZBIIH-HNNXBMFYSA-N 415.560 1.296 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCOC[C@H]1C 1760523224 QCUWCNBPCPCKJS-MRXNPFEDSA-N 407.478 1.658 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCn2nc(C)nc2C1 1760524945 ONFBSJGZRNQGMO-UHFFFAOYSA-N 410.457 1.230 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760525272 ZWEIMISNKAKNOH-JOCHJYFZSA-N 408.506 1.196 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760548698 NGNAGAJREUOPDE-KDOFPFPSSA-N 411.528 1.423 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1760688559 KUBZYLNEPWCGIE-SCLBCKFNSA-N 414.457 1.296 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1761241677 WHOJAERHIOCKSV-QGZVFWFLSA-N 424.465 1.241 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O)[C@@H]1CCOC1 1766959004 YRYDEXCIXVLUNA-QGZVFWFLSA-N 416.507 1.077 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1769736436 WGDMDCVWSAGWME-DLBZAZTESA-N 413.434 1.879 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)c1 1769912732 SEKDFCIEHYQHPH-HXUWFJFHSA-N 419.457 1.803 30 10 HDEE CS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1770335932 CPHLOKVHCUMPSM-OAHLLOKOSA-N 409.899 1.296 30 10 HDEE CS(=O)(=O)NCCn1c(CCCc2ccccc2)nnc1N1CCC(C#N)CC1 1770360814 AJQOWNQZOCKBEO-UHFFFAOYSA-N 416.551 1.743 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1771537307 LVZYBZYHOZEJSQ-SFHVURJKSA-N 410.478 1.800 30 10 HDEE C[C@H](CC(=O)ON1C(=O)c2ccccc2C1=O)/N=C1/NS(=O)(=O)c2ccccc21 1772791575 AXYSTJPDZSALSD-LLVKDONJSA-N 413.411 1.258 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 1849559305 MIEZSNSHMFTZCG-QGZVFWFLSA-N 402.520 1.411 30 10 HDEE CC(C)(C)C(=O)N1CCN(CCOC(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852060273 YZSKSDSSHVQHGU-UHFFFAOYSA-N 401.463 1.563 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CCCC3=O)cc1 1852601120 SPPXLUCAUQGPTG-SFHVURJKSA-N 424.457 1.668 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)N3CCc4ccccc43)CC2)n1 1852910648 LCFYLKUHYZZACY-MSOLQXFVSA-N 402.458 1.222 30 10 HDEE Cn1cc(C(=O)N2C[C@H](CN3CCC(C#N)(c4ccccc4)CC3)CCC2=O)nn1 1853814623 CISAJFRLHBOPHX-KRWDZBQOSA-N 406.490 1.751 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3F)C(=O)C2)cc1 1854036937 FZSQSWLJESLLQH-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CC2CCC(=O)CC2)C1=O 1854113314 BXDRGWMTWLNKSC-MOPGFXCFSA-N 403.523 1.762 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2cccc(F)c2)C1=O 1854197895 IJVVSFVCKXBNKX-SFHVURJKSA-N 408.437 1.439 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cn2c(C)nc3ccccc32)C1=O 1854282590 LQADYNBOKKLUIJ-RBUKOAKNSA-N 409.490 1.191 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cn2ccc3ccccc32)C(=O)C12CCCC2 1854423816 DKZMQIKBJAZNHJ-UHFFFAOYSA-N 414.487 1.478 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C(=O)C12CCCC2 1854423838 FAQSOUMBJMNWQI-ZDUSSCGKSA-N 403.451 1.649 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C1=O 1854658171 DPNKCJJXFMDVTG-GOSISDBHSA-N 408.520 1.885 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cn2ccnc2C2CC2)CCN1CC(=O)c1ccc(C#N)cc1 1855119950 ZIIDFRBZYVDHMF-OAHLLOKOSA-N 405.458 1.574 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1C[C@H](OC(=O)c2ccc(C#N)cc2)CO1 1855421073 WFSSSGXIVTWZLZ-HNNXBMFYSA-N 406.391 1.867 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2C[C@H](CN(C)CCC#N)CC2=O)cc1 1855724849 LWQHPNZMLUJJBL-HNNXBMFYSA-N 407.492 1.080 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(C(=O)CCn3cncn3)C2)CC1 1855894908 YDHRYWJCESASGP-GOSISDBHSA-N 406.490 1.601 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC2(COC2)C1 1855954145 RGIPSHIVRPDFBQ-UHFFFAOYSA-N 403.460 1.063 30 10 HDEE C[C@H]1CCN(C)c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)cc21 1856058388 KMUCJWYAPPZFEM-AWEZNQCLSA-N 418.519 1.546 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)C(=O)C12CCCC2 1856281542 KGSDCDDCADRRMT-MRXNPFEDSA-N 417.487 1.410 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CC5(COC5)C4)C(=O)C3)C2)s1 1856291514 NZIGOYUPSZAPJB-INIZCTEOSA-N 414.531 1.291 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1(C)C 1856402395 OSGQCGUZVJAZAC-SFHVURJKSA-N 419.547 1.784 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)c2n1 1856540236 ITFBBSVBSIQDMB-RDJZCZTQSA-N 405.458 1.370 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC(c4nnc5ccccn45)C3)CC2=O)ccn1 1856700249 LFRKNNQJDVRWPS-CQSZACIVSA-N 401.430 1.084 30 10 HDEE CN1CCN(C[C@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1=O 1856935173 AJSRVGIHZKUQLW-OAHLLOKOSA-N 402.882 1.559 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C3CC3)n(C)n2)C1)[C@H]1CCN(C)C1=O 1857075014 VXXONLCOSUWDFZ-YJBOKZPZSA-N 413.522 1.395 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2c(C)noc2C)C1)[C@H]1CCN(C)C1=O 1857236198 AYMFEXJCMJLEIS-AEFFLSMTSA-N 402.495 1.318 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857281987 QAUOVQBEMKODMU-GJZGRUSLSA-N 417.897 1.900 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858334047 APMDAXFORFWGMM-QGZVFWFLSA-N 419.528 1.917 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1861603674 HSZYORKPCAUNFI-FPOVZHCZSA-N 421.497 1.770 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(C[C@@H](C)O)c(C)cc2=O)nc1C 1870088107 NGZNWAVKSKPBMA-GFCCVEGCSA-N 421.475 1.663 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccc(F)cc1)N1C(=O)c2ccccc2C1=O 1870106808 HHTORJGWLGNEHG-GFCCVEGCSA-N 418.388 1.960 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccn2)c(=O)cc1CN1CCC(CO)CC1 1870499600 QYKIEXTYXGHQCV-UHFFFAOYSA-N 412.490 1.651 30 10 HDEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870563248 SHTMBPLTNBXYHT-UHFFFAOYSA-N 400.479 1.915 30 10 HDEE C=CCN=c1nc(Nc2ccc(Br)cc2C)[nH]c(N(CCO)CCO)n1 1871567105 KEXYSNIROGXJFE-UHFFFAOYSA-N 423.315 1.497 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccncc1 1874433890 CJQKIADDKSEPEO-SSDVNMTOSA-N 415.523 1.732 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)[S@@](=O)CC12CC(C#N)(CO1)C2 1882554221 JGEHNEAYFRYYOX-IHUHJJINSA-N 420.487 1.966 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)[C@@H]2COC[C@@H]2O)[C@H]1c1ccc(C#N)cc1 1889306404 FQUACGRHJYPZMQ-JFRXWTBNSA-N 403.504 1.170 30 10 HDEE Cc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(Cl)n1 1890937818 OVEYDLWNMGSKRC-UHFFFAOYSA-N 404.942 1.915 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1895876619 WPKFATSGCIPCHU-NIFZNCRKSA-N 410.320 1.811 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCC(=O)O)s1 2123998401 YFKVJTKDSRGGEO-VIFPVBQESA-N 400.482 1.960 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N=c1cnc(I)c[nH]1 2145527735 BQRIERBOSBMINS-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE C=CCC1(NS(=O)(=O)c2scnc2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 2162445755 OISRCXYZNWRCIT-UHFFFAOYSA-N 417.509 1.774 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2174779344 IAKFDQYHZIVJTE-GJZGRUSLSA-N 401.529 1.870 30 10 HDEE Cn1cc(I)c([C@H](CN)N2CC[C@H]3SC(=O)C=C3C2)n1 2177652906 WHJPYSVNEHNAQH-WDEREUQCSA-N 404.277 1.299 30 10 HDEE C[C@@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625906 DMRJIYCSQNDORE-PWSUYJOCSA-N 400.331 1.197 30 10 HDEE Cc1nc(NS(=O)(=O)N2CCC[C@@H](C#N)C2)ncc1I 2189860442 LMJBUGQAAPIYEM-VIFPVBQESA-N 407.237 1.282 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247844538 DJAJOFYWGLWVJL-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2247845738 UTGCAAUNMHKPAZ-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247856847 CDNFAFOXDHGJTC-INIZCTEOSA-N 420.315 1.601 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250008686 OZVURQYZZGVQQE-MRXNPFEDSA-N 421.347 1.679 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCC1(CC#N)CC1)NC(=O)OCc1ccccc1 2258158861 RMLVZRLVDZHEPW-OAHLLOKOSA-N 409.464 1.068 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2Cl)OC1(C)C 2267566080 WJCOWEMEBIAHQT-SECBINFHSA-N 405.734 1.618 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270507230 CEJCTAWUUNRDHB-AEFFLSMTSA-N 422.503 1.520 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CC[C@H](S(C)(=O)=O)C3)ns2)OC1(C)C 2282010589 YVDBBIMCVGJCNH-MNOVXSKESA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)CC1CC1 2282310836 ZIPYOEUZUKQBCG-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282331616 PPNXZWJEACFYGU-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332333 ZHNCGPLAJHKPJI-OCCSQVGLSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](CCN)C3)c2)OC1(C)C 2282332435 AWRMMJOYQPEIMF-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE CC[C@]1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCCNC1 2282334729 FXSGWPUWTVEPAV-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CNCC1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282342412 HGIYUQAYMPGBKY-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCNCC3)s2)OC1(C)C 2282342988 NNAWIJOPXKDIHE-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE C[C@H](O)C(C)(C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506741 WUJQQTFFNAMJEF-LBPRGKRZSA-N 403.375 1.874 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)[S@](C)=O 2282825290 ISYYSHOKCDBHMJ-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H](C)[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834735 XLZYMVPGPKNYFZ-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE Cc1cc(S(=O)(=O)NC2(CO)CC(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282835191 QIYLHFIHDGVMKP-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE Cc1nc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)cs1 2282846089 DCWKDQIQQWDQNQ-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](F)[C@H]3CCOC3)c2)OC1(C)C 2282849025 VQKIVCSLQJEVKL-AAEUAGOBSA-N 405.322 1.700 30 10 HDEE C[C@H]1CCC[C@@H](CN)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851638 FAWKEZFSAXPKPA-STQMWFEESA-N 400.375 1.938 30 10 HDEE COC(=O)N(C)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854545 SVOVDVSBLJGIMM-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)C 2282864508 HAPXCSYDWAMHHY-ZDUSSCGKSA-N 403.331 1.523 30 10 HDEE CN(C1CC(N)C1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869952 KOZHRQQEJDDKFE-UHFFFAOYSA-N 400.737 1.749 30 10 HDEE CN(C1(C(=O)O)CCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284394612 AJKPXEWXLZNHEK-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE C=CC[C@H](O)[C@H]1CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2314235836 WBJLEWAWTHBOJD-GJYPPUQNSA-N 410.467 1.352 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316813035 JTLVSVXJVLIHLD-MRXNPFEDSA-N 406.504 1.537 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@]2(O)CC[C@H]2NC(=O)OCc2ccccc2)CCC1 2319397986 MCWZRAFYRPDHGF-SQGPQFPESA-N 406.504 1.104 30 10 HDEE CCc1nnc(SCC(=O)OC)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321014761 VLJUJMUSMIAROU-UHFFFAOYSA-N 407.408 1.667 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1 2365208836 UAXHKEPDFBQKBO-CLCXKQKWSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213801 WTNVFZVHZMOMCL-HVEKOLDVSA-N 402.557 1.586 30 10 HDEE CN(C(=O)OC(C)(C)C)C1([C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)CC1 2365255603 YAFWPUBALHRBJO-CYBMUJFWSA-N 403.497 1.682 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367782993 CTNIHGNHFHFLTN-CVEARBPZSA-N 402.557 1.865 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367789514 ROSVWEJQQVFPRR-KGLIPLIRSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367805691 DKTWOHPRZVPWDD-RLFYNMQTSA-N 400.541 1.292 30 10 HDEE COc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1O 63585113 VSIWDKATKKBFAO-UHFFFAOYSA-N 404.444 1.512 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C#N)c2)cn1C 64818966 JXMXAIIBVPODKX-INIZCTEOSA-N 416.459 1.475 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCN(CC)CC)C2=O)cc1 96567167 SSXOIVQGNNWROG-JOCHJYFZSA-N 416.522 1.867 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1Cl 410173100 IXSJVXSKSJUYSA-UHFFFAOYSA-N 417.940 1.790 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)cn1 433589687 DYOGFBGXTYJVGY-INIZCTEOSA-N 415.479 1.171 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@]2(C1)NC(=O)NC2=O 434794034 MKVUXNAFHMXWAP-ORAYPTAESA-N 401.492 1.693 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 442980515 HWMQPVDSMDXGGR-FLMHQWFMSA-N 409.483 1.396 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 460782843 NQTMHVZDOWHKJG-UHFFFAOYSA-N 421.571 1.481 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC1 461551694 PFXNZEVHVHYQED-NXHRZFHOSA-N 424.505 1.855 30 10 HDEE C=C(C)COCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 475483264 BPDOSQGYIXKGOM-INIZCTEOSA-N 410.492 1.287 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c(C#N)cn1CCOC 481486974 AQDURKKMQLHXIT-BPLDGKMQSA-N 417.466 1.314 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1C#N 489294083 RCGACKWHBMNSSX-QAPCUYQASA-N 419.551 1.263 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508861037 AOLPXHWTABGRGO-SFHVURJKSA-N 417.558 1.861 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H]2COC[C@@H](C1)O2 514189403 HKYKSILNHJTSHT-BETUJISGSA-N 411.252 1.724 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 526982637 MYOPWVGCYIGPHW-LJQANCHMSA-N 408.462 1.650 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2cccc(Br)c2)CC1 535754181 PGIGPTKMLFYCAN-UHFFFAOYSA-N 412.353 1.988 30 10 HDEE CCNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541102519 JOFFTSSUMFVPPK-UHFFFAOYSA-N 415.885 1.683 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCCC[C@@H]2c2nnc(CC(F)(F)F)o2)CCO1 553886935 PGXNSARMNJCVHG-GHMZBOCLSA-N 409.390 1.171 30 10 HDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)NCc3ccc(C#N)c(OC)c3)ccc2O1 580679835 RLGUGFFSQGCGER-LJQANCHMSA-N 416.455 1.912 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)NCCCC)cc21 586315684 YUGUNDCTLPIFRJ-POXGOYDTSA-N 406.504 1.834 30 10 HDEE N#Cc1cc(O)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 589163523 LPZBVBKVMSXZFA-UHFFFAOYSA-N 407.473 1.276 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 603825359 IAPJQCQMPWDQJK-MRXNPFEDSA-N 422.493 1.714 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(C#N)c(Cl)c1 603974242 HINPFUQBNFGPNL-JTQLQIEISA-N 411.892 1.999 30 10 HDEE C=CCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669816829 KBPJHCPICUMUMX-FXAWDEMLSA-N 411.554 1.849 30 10 HDEE COc1cc(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)sn1 717664338 VGJMEHJHVXUBJH-UHFFFAOYSA-N 417.343 1.386 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCOCC3)c2OCC2CC2)OC1(C)C 725442369 KVXGFODDOBDAHY-UHFFFAOYSA-N 423.340 1.796 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)cc1F 727416610 VDHWUSIHIDVUPK-UHFFFAOYSA-N 409.442 1.721 30 10 HDEE C#CCN(Cc1nnc(-c2ccc(Br)o2)o1)[C@H]1CCS(=O)(=O)C1 731213731 PTZMMDVVCYACLR-JTQLQIEISA-N 400.254 1.714 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CN2CCSCC2)CCN1C1CC1 732707264 YNQUXWQNGUIBKO-SFHVURJKSA-N 413.547 1.373 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@H](C(=O)OCC)C3)ccc2c1=O 741224230 CVBXLLDVBYHHSP-HNNXBMFYSA-N 403.460 1.275 30 10 HDEE C#CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 742786521 AZPLMYBFUDPIGA-UHFFFAOYSA-N 415.309 1.613 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]2CCCO2)c1=O 743729076 WLBKIDWZYFMWAA-AWEZNQCLSA-N 417.556 1.972 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H]([C@@H]2CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 748216055 STQSVLPJMCLXCN-OWCLPIDISA-N 405.520 1.779 30 10 HDEE Cc1noc(C2CCC(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 753248994 KRHVMVGWQJSEJF-UHFFFAOYSA-N 403.464 1.259 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)C1 758775934 XLHIPDFTXBZRSB-CAOSSQGBSA-N 405.499 1.446 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCCCCS(C)(=O)=O 759873575 OOCSUKLIMTXIOH-FQEVSTJZSA-N 420.487 1.520 30 10 HDEE COC(=O)c1c(F)ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1F 760621120 SFHXNKDJYUGSSO-UHFFFAOYSA-N 422.413 1.529 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 762392131 ZXWUFGFTSQCUBR-SFHVURJKSA-N 402.476 1.787 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)cc1C#N 768202219 WKRONTJWBLSNEJ-UHFFFAOYSA-N 417.429 1.675 30 10 HDEE C#CCN(C(=O)NCCc1ccc(-c2nc(CC)no2)cc1)[C@@H]1CCS(=O)(=O)C1 774198207 GKZCWHKEHRPEEC-QGZVFWFLSA-N 416.503 1.673 30 10 HDEE C#CCN(C(=O)NCc1ccccc1-n1nc(C)cc1C)[C@H]1CCS(=O)(=O)C1 774239512 FSXCFDYIDIAEJV-SFHVURJKSA-N 400.504 1.821 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NC[C@@H](O)COc2ccccc2Br)cc1 780983312 LYHYRKWKVXIZKR-PBHICJAKSA-N 405.248 1.910 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)n1 788819327 YKJRDHVNZJEGRM-UHFFFAOYSA-N 423.448 1.799 30 10 HDEE COC(=O)c1c(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)sc2c1CCC2 798746013 XVIJSPMPIAYSQG-SECBINFHSA-N 403.420 1.229 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 804456720 GXXRTHQGGOMFMN-FQEVSTJZSA-N 405.502 1.656 30 10 HDEE C#CCN1C(=O)C[C@H](N2CCC([C@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O 821771753 MOUBJLQFLRPAJY-AABGKKOBSA-N 409.486 1.774 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)n2)c1 856614602 QPRIDEHBIDSYOM-RBUKOAKNSA-N 400.442 1.735 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 914678558 CGRYREODMJRJCL-VHFSOBRXSA-N 422.503 1.587 30 10 HDEE CN1CCn2nc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2S1(=O)=O 1124283263 POHZOEVZFAICOC-UHFFFAOYSA-N 405.505 1.972 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc(-c4ccccc4Cl)nc3)C[C@H]1CS(=O)(=O)C2 1134429154 PVIFIRIORFKKOY-SCLBCKFNSA-N 402.863 1.807 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1134718864 WPNOKLPCHQXTSG-HOTGVXAUSA-N 402.472 1.638 30 10 HDEE CN1CCN(C(=O)CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136659447 FGOBJGIAYZOSJL-MRXNPFEDSA-N 409.531 1.244 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cccc(C#N)c1Br 1143293402 HGOILWHLOJSUQI-HNNXBMFYSA-N 407.312 1.993 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1144551656 GICSPNSNVSSWAW-FUHWJXTLSA-N 411.499 1.566 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@H](c2ccc(Cl)cc2)C1 1149521707 AHCKNYPWLFPVGU-INIZCTEOSA-N 418.906 1.552 30 10 HDEE C#CCN1CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1150692591 FHEKVNCOWMFLIW-UHFFFAOYSA-N 420.254 1.868 30 10 HDEE COc1cc(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1C#N 1151321301 YGZBSCUCPKJNDB-VQTJNVASSA-N 404.470 1.896 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2CCNC2=S)C1 1160308944 RCFPMMBOZKRPFM-UHFFFAOYSA-N 408.325 1.063 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)CN3CCCCC3)C2)C1 1162639747 DRHVJXUDXKAIIN-NYXBAERPSA-N 420.554 1.736 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCc3ccc(S(N)(=O)=O)cc3)CCOCC2)cc1 1171269072 BKTSUYKGSRDXDO-UHFFFAOYSA-N 413.499 1.960 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 1171874526 IFMIRFOEGLDUCK-UHFFFAOYSA-N 402.476 1.430 30 10 HDEE CNCCCc1[nH]nc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)c1C#N 1182252682 DSCHUBMAGYGCKR-GFCCVEGCSA-N 400.430 1.920 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 1196789450 LWKVPQWDDNYJLC-OAQYLSRUSA-N 424.505 1.615 30 10 HDEE Cn1cc(C[C@H](CO)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1 1212343274 BONSGDXSKNWXTL-ZDUSSCGKSA-N 402.398 1.440 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)CC1 1219100975 BEQNISOJSONETB-UHFFFAOYSA-N 417.516 1.840 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1286282626 NWWYIWRKUWMFIN-JGVYIQDASA-N 424.534 1.680 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1286283229 VPTSKTSVOPPPQJ-OAHLLOKOSA-N 400.508 1.604 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C2CC2)C1=O 1286306809 YJXITWYDNVSPNZ-PWAOUJBFSA-N 401.511 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](C)C2)CC1 1286485257 GZWJTWXDTHGOES-DLBZAZTESA-N 414.554 1.818 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCNS(C)(=O)=O 1286520535 NXLAXZBZWZPSKI-LJQANCHMSA-N 403.508 1.495 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1286638218 WXKPHLXQTNEZKY-OGNFBWPZSA-N 423.583 1.986 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnn(C)c2)CC1 1286699410 CAYURARQSHXXLO-INIZCTEOSA-N 419.555 1.207 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1286727302 OZSGHWPZZFEJND-INIZCTEOSA-N 413.544 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286819840 XJVQXIZDMJEVSV-TWOQFEAHSA-N 424.567 1.919 30 10 HDEE C=CCSCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286834857 LDWQRGYKKXNCCH-RBUKOAKNSA-N 409.556 1.551 30 10 HDEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1291259828 YUYUFSCXHWQPDT-DNZUHHBVSA-N 402.499 1.618 30 10 HDEE C#CCN1CCCN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 1293712533 GMYVLQBVEINFQT-UHFFFAOYSA-N 410.287 1.876 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)Cc1ccc(OC)cc1)c1cc[nH]n1 1296553633 SPQRUEAFUAYRGW-UHFFFAOYSA-N 402.451 1.840 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1298244218 BWCSSAGNTATVAF-JQIJEIRASA-N 423.399 1.809 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1300303257 HXICANDKWPQXHG-LSDHHAIUSA-N 400.483 1.184 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1300307271 DBVNDFXPAIIVBU-HZPDHXFCSA-N 412.519 1.529 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1CCS(=O)(=O)CC1 1300448882 IGNMNISMRSSBHV-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC)CCOCC2)CC1 1300681336 NJQKJAKOWNOPAU-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(N(C)C)nc2)CC1 1300695435 ARCHIQSRILSFLN-UHFFFAOYSA-N 402.506 1.605 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(N)=O)C1 1300766501 DRULFQPIGUISFT-HNNXBMFYSA-N 409.519 1.195 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC)[C@H](C)C1 1301503188 VGOFIHRECFTFQU-OAHLLOKOSA-N 418.492 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N(C)[C@@H]1CCOC1 1301593318 LTILACCGFPHAQY-MRXNPFEDSA-N 424.498 1.822 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1303471806 HQVQFAXSPFRBKZ-GOSISDBHSA-N 412.535 1.781 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1305248503 DDPLHPBHKRJSGU-BXTJHSDWSA-N 417.441 1.265 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2ccc(Cl)s2)CC1 1311995687 AFTCTTPRYNAVKQ-LBPRGKRZSA-N 404.945 1.647 30 10 HDEE CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314484943 RDHLQEQTZISOIP-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1315066587 CEYSGSPSRPBKRT-AWEZNQCLSA-N 418.523 1.370 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCN(C(=O)c4ccccc4)CC3)n2C)C1 1321259876 ONZVWOGTJWEUIQ-IBGZPJMESA-N 410.522 1.554 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H](OCC)[C@H]2CCOC2)c1 1351602141 RPOGTVQZGQUZCO-GHTZIAJQSA-N 400.475 1.301 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1358909436 GLKQRFGUBGTICG-UHFFFAOYSA-N 421.505 1.071 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)N(C)C 1358941079 XOUJQELYAKGGOV-UHFFFAOYSA-N 413.507 1.296 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccc(OC)nc1 1358948487 DFUZPTRODYUMQD-UHFFFAOYSA-N 418.505 1.973 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1358960600 ICWFXOZGKAGQTR-DLBZAZTESA-N 416.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)C(C)C 1358971566 AECCQIZLCGJXRQ-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CC(=O)NCC(F)F 1358981989 FVGGKRXEWJTDHH-UHFFFAOYSA-N 415.444 1.928 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cscc1C 1359024274 JYOMDBKQAMVGNP-HNNXBMFYSA-N 408.549 1.684 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359244367 ANNTYBFLVMVBMP-HNNXBMFYSA-N 423.514 1.900 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1359306407 FRSKKTIDUZXDCL-KNBMTAEXSA-N 402.499 1.434 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1NC(=O)CC1(C)C 1360184112 AQUGIKJYGHIDFT-HNNXBMFYSA-N 401.515 1.461 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC[C@@H]1CCOC1 1360206849 JUHKECVXJDCINI-KXBFYZLASA-N 408.478 1.301 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1360475966 GCGZPXSCLKOCBZ-CABCVRRESA-N 410.544 1.540 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 1446092404 BXZBUZGSWYTYGP-LEWJYISDSA-N 418.559 1.981 30 10 HDEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 1447937632 DSKQGSZHHNEASG-DZGCQCFKSA-N 409.229 1.244 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1450343927 PKAASXNANGIDSA-IEBWSBKVSA-N 415.287 1.959 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)c3c(Br)nc4n3CCOC4)C2)c1 1454250992 YSUQNSQXZGTBRG-UHFFFAOYSA-N 402.252 1.984 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1455955007 UQGYYFGTKGSLKU-OAHLLOKOSA-N 401.510 1.512 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1cc(Br)c(=O)c([N+](=O)[O-])c1 1458991414 BTNGBWBSZOSIED-UHFFFAOYSA-N 416.187 1.819 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cccc(C#CCO)c2)cc1 1464413900 DKZIQCOMIHVDCO-UHFFFAOYSA-N 400.500 1.989 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 1464684303 FLPBKBXFZWVIFF-VGOFRKELSA-N 414.506 1.967 30 10 HDEE CN(CCCO)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1466539682 IKYNPSMUSVPPOB-UHFFFAOYSA-N 407.555 1.942 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 1469756587 SGTQKXWLDDLRDU-OAQYLSRUSA-N 422.445 1.562 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CC(=O)OC)cc2)cc1 1470514630 RDPRTGUBCLEFDU-UHFFFAOYSA-N 400.456 1.244 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCNS(=O)(=O)c3ccccc3F)C2)c1 1470618473 PFZMRCULXVYTLS-UHFFFAOYSA-N 402.451 1.689 30 10 HDEE COC(=O)[C@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1470895462 MFXCQHGJOQTPHA-MQMHXKEQSA-N 414.441 1.649 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1471585670 WYNHBFGVPGWYBM-GFCCVEGCSA-N 419.297 1.724 30 10 HDEE C#C[C@H]1CCCCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1472290560 QAVRVTSPOUVWCT-SFHVURJKSA-N 417.531 1.314 30 10 HDEE COC(=O)c1coc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1473266958 FXDGWAMMWVIXGT-ZDUSSCGKSA-N 404.448 1.400 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O 1476099937 CLSSSMBBFVAZAJ-RTBURBONSA-N 415.471 1.725 30 10 HDEE COCCOCCOCCN(C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478403042 HLFBUVJYNQXWTQ-JKSUJKDBSA-N 414.503 1.066 30 10 HDEE COCc1nc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cs1 1504655212 BILXMVSGJDMRCQ-HUUCEWRRSA-N 404.496 1.900 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1OC 1505113863 CKJISEIEOJTGCG-KSZLIROESA-N 424.505 1.581 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507623043 QDJBTRTUFAZXHC-CVEARBPZSA-N 419.551 1.187 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1507678059 QMVQCKUSRODCDX-SFHVURJKSA-N 402.543 1.330 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCOCC2)CC1 1507723132 WONDCSSYFIPTLH-UHFFFAOYSA-N 408.550 1.813 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCS(C)(=O)=O)CC1 1507897455 JEQDOBFSBVLZSG-LJQANCHMSA-N 412.556 1.767 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)NC)CC1 1507925233 BSWNADHAWZRGON-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1508041217 JLEPHYSCWPONIO-IAGOWNOFSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(O)cc2)CC1 1508080053 IRFWJWGCWQLZIO-UHFFFAOYSA-N 419.489 1.675 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508086945 MQVOJRFGUMZCHU-OAHLLOKOSA-N 412.494 1.713 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1508423046 HUJPIADDUGXFJX-LIRRHRJNSA-N 421.498 1.153 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1518024146 PRCZGOMCUWBRQW-ZIAGYGMSSA-N 416.869 1.614 30 10 HDEE COCC[C@@](C)(C#N)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1525605834 CCFZWGBNZWJYGW-KUHUBIRLSA-N 406.487 1.899 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C3CC3)[C@H](C)C#N)c2)CC1 1527918190 HWMLCGBFVCZNOB-CQSZACIVSA-N 404.492 1.056 30 10 HDEE Cc1c(C(=O)NCCNC(=O)c2ccc(Br)cn2)cnn1CCC#N 1531874142 BRILTQFEFLVECB-UHFFFAOYSA-N 405.256 1.423 30 10 HDEE CCOCCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1538506746 SDQBYPKKQJVISY-UHFFFAOYSA-N 409.508 1.128 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1538991638 BMSIIBZSSONXDH-VDZJLULYSA-N 422.493 1.430 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cnn(CCOC)c2)CC1 1539445899 JWODCHZESIJBQW-UHFFFAOYSA-N 420.521 1.295 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539592515 FMVJWPHUUMBXHS-INIZCTEOSA-N 408.304 1.550 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539849004 SNTCIXWCPKEZTH-IRXDYDNUSA-N 409.556 1.610 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(C#CCO)c2)CC1 1540492881 ZYFCFDWMOHYMPN-UHFFFAOYSA-N 417.487 1.172 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540866849 CIOCFCQCDZVVOL-GJZGRUSLSA-N 405.524 1.505 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1540871851 VLRSFRCIZXHXPJ-IEBWSBKVSA-N 411.506 1.971 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1544786378 MPMWXVGJZRHQMU-JTQLQIEISA-N 422.235 1.349 30 10 HDEE CNC(=O)c1cccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)c1 1554414955 APCCYPFWKYLKJY-SFHVURJKSA-N 417.473 1.785 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)F)C1 1554504536 FVFASKPHESFNPW-HNNXBMFYSA-N 424.477 1.847 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1555682881 OCQOSAHWSIIWKA-ZWKOTPCHSA-N 421.542 1.980 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(OC)CCOC1 1555746124 BQXYQCWCBSQVGA-USNOLKROSA-N 419.526 1.938 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(F)(F)C1 1556022494 IHBRPINVZPFPFS-GASGDFKYSA-N 408.409 1.154 30 10 HDEE C=CCN(C(=O)c1ccc(I)cc1O)[C@H]1CCS(=O)(=O)C1 1583029635 CBGNXHRQJYBNDV-NSHDSACASA-N 421.256 1.812 30 10 HDEE COC(=O)C[C@@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1584519595 AFBHMFDQOSDQSD-DJJJIMSYSA-N 405.838 1.403 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1587578987 AZJXPVFPWKQFRW-HNNXBMFYSA-N 417.535 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1587620150 AJFHIDKDLPHPSB-INIZCTEOSA-N 424.530 1.997 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc21 1587862644 YHIVYCXSAWTLTG-GOSISDBHSA-N 415.519 1.719 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1587909370 JPGNWPFPKVUREZ-OAHLLOKOSA-N 404.540 1.380 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C3(C)OCCO3)CC2)s1 1587933681 DWFGBMNSAKBVBW-UHFFFAOYSA-N 414.549 1.757 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1588314533 IDUYCANNYKHSKQ-UHFFFAOYSA-N 408.462 1.695 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCC2(O)CCOCC2)CC1 1588848666 KESSOGKGMXPWKC-UHFFFAOYSA-N 423.561 1.864 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1589484910 VYVADERKGTXEDE-GQIGUUNPSA-N 402.474 1.937 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCOC2)C1 1594566395 GXQFSKQEBSNPCJ-CRAIPNDOSA-N 413.544 1.240 30 10 HDEE C=CCCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1594720226 FZDDHKBXTXULBP-QGZVFWFLSA-N 409.556 1.753 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1594784311 WOUBXFKKZBPHOI-SJORKVTESA-N 416.526 1.069 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 1594944817 ZCZQLKVYFKCTNX-UZLBHIALSA-N 419.503 1.450 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C)C1CC1 1595058985 ZOKUOJOLWMXTLQ-KRWDZBQOSA-N 421.523 1.716 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1595170651 GZHILFCKKFUZIQ-KRWDZBQOSA-N 411.510 1.825 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CCOC)CC1 1595496643 CGLADTKWXDDIHR-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1595561930 HTJCVIALGOCLJQ-CJNGLKHVSA-N 404.540 1.797 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1595715074 RUMVNHYWWBTRGA-JZXOWHBKSA-N 400.483 1.568 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OC 1596243414 HBEHLFDNVSCQLV-HNNXBMFYSA-N 408.476 1.867 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OCC 1596595836 MAKAGALWGWWTNV-SFHVURJKSA-N 408.520 1.545 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2ccc(C(N)=O)nc2)n1 1611073029 VPPCHARCPVFUQH-UHFFFAOYSA-N 415.504 1.475 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1611307686 FNJOXFPDVCKMIW-OWCLPIDISA-N 417.539 1.378 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cccc(C#N)c2)C1 1611545734 DWFQKTZCWURNTM-INIZCTEOSA-N 407.492 1.712 30 10 HDEE N#C[C@@]12CN(C(=O)c3c(Br)cccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1617487669 QBENCBBOBIKSFY-XPTSAGLGSA-N 414.237 1.368 30 10 HDEE COc1ccc(CCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1617488375 XZKJEVDWEGSGSL-JXFKEZNVSA-N 406.504 1.813 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F 1621673118 CELVECOJZQRXMH-JTQLQIEISA-N 413.395 1.102 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1623850336 USRUFPFZPUWVQI-NRFANRHFSA-N 415.494 1.364 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2cc([N+](=O)[O-])ccc2I)CCO1 1626948756 SNVMTVNOCMIWJB-CYBMUJFWSA-N 401.160 1.954 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1 1626958465 KCQYWDQAUUDSOX-UHFFFAOYSA-N 420.491 1.325 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@@](C)=O)CC1 1629670243 UJGNWGUYAGCXJH-CHAGWJKLSA-N 401.573 1.759 30 10 HDEE Cc1cc2nccc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2n1 1630445512 VICUUNDAUMLRFS-HNNXBMFYSA-N 403.402 1.753 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1[C@@H]1CCC(=O)N1 1630858186 IEBNPVVIROMDAR-INIZCTEOSA-N 412.471 1.705 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CCC1)[C@H]1CCOC1 1632381311 UOLSFGWAZUFSKT-HNAYVOBHSA-N 405.520 1.827 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)C(=O)OC 1634064083 XKHVVIWOCYKGRG-CABCVRRESA-N 412.483 1.263 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@H](C)C(=O)NC(C)(C)C)s1 1634348813 JIUJAURYJNLFSX-GFCCVEGCSA-N 401.554 1.517 30 10 HDEE Cc1nc(SCC(=O)N2CCO[C@H](CN3CCOCC3)C2)c(C#N)c(C)c1C 1634428084 NLGUTEJKONJVER-QGZVFWFLSA-N 404.536 1.530 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C2 1636719544 FLOHGOFXCINVRR-OAHLLOKOSA-N 400.460 1.374 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)Cl 1637460454 VYYJFJAVDXLNFO-SECBINFHSA-N 406.176 1.929 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821353 DWPOFHQWIMRBFZ-GDZNZVCISA-N 417.915 1.419 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)nn1 1640332237 OXIDOZNQNHOKQE-CYBMUJFWSA-N 412.837 1.442 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3csc(Cc4cccc(F)c4)n3)C2)c(=O)nc1O 1640637088 SNNDFEDZPANXML-UHFFFAOYSA-N 411.418 1.704 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1640653369 RQPXIOWANARJSN-UHFFFAOYSA-N 412.309 1.500 30 10 HDEE C=C(CC(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1640979897 IAQJURBTOALHKI-UHFFFAOYSA-N 409.552 1.866 30 10 HDEE C=CCOCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1641552685 WBYOEHYUZQWVET-OWCLPIDISA-N 416.540 1.366 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1641798468 SIQAPGMBZXODMK-LJQANCHMSA-N 414.487 1.867 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C[C@H](O)CC3(C#N)CCOCC3)CCO2)cc1 1643948157 IHTWXEHXNXROQM-IEBWSBKVSA-N 408.520 1.535 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3oc(O)nc3c2)s1 1644963917 BKMAKYNULDYVPN-UHFFFAOYSA-N 407.473 1.918 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)CC1 1645781545 LLZMVAVPWQNQSE-UHFFFAOYSA-N 409.490 1.612 30 10 HDEE C=CCC1(O)CCN(C(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CC1 1652167803 VYJOIBRJAPPJON-UHFFFAOYSA-N 414.549 1.376 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCC1(C#N)CCOCC1 1653634163 KJWBHIJUULPFCK-UHFFFAOYSA-N 422.551 1.275 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)cc1 1654052141 XHPHCQRZMBIHGD-FQEVSTJZSA-N 415.471 1.201 30 10 HDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H]1C(=O)OC(C)(C)C 1654657660 AGUNUYOFDBKETE-WMLDXEAASA-N 421.519 1.663 30 10 HDEE C#Cc1ccc(NC(=O)CCN(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1654701364 UQMDQJZELOKABT-UHFFFAOYSA-N 419.478 1.794 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1663388078 KCKTVXKANQBLIW-MSOLQXFVSA-N 414.549 1.873 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1664910138 WEIOULLZCKFMNT-UHFFFAOYSA-N 410.311 1.123 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1665356200 QURULJHDCQOSTL-UHFFFAOYSA-N 418.540 1.377 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@H](CCNC(=O)OC(C)(C)C)C1 1666482608 AMHLYNAMBWALAN-HNNXBMFYSA-N 404.533 1.330 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1674887562 IJFOXNBVUBVPKA-INIZCTEOSA-N 413.565 1.809 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1678736735 CEPPANLMWLJMPI-ROUUACIJSA-N 413.526 1.617 30 10 HDEE CC(C)(C)Oc1ccc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1680847322 RKRQUYXKHHKKBL-UHFFFAOYSA-N 411.462 1.807 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)c3)CC2)cn1 1682920119 ATCCNEMKEBLFIU-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE C[C@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CN(C)CCN1C 1684806011 XHBSJLSDXTTZPT-JXFKEZNVSA-N 424.553 1.192 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)C1 1685176798 CXSVEMPFCDMDMZ-UFYCRDLUSA-N 403.571 1.106 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1689828600 QBXAYRTUTMZIGH-HOTGVXAUSA-N 415.469 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1690099865 OHGVRAJBDSPYIO-PXNSSMCTSA-N 400.483 1.103 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCCCO2)CC1 1690146215 IMGVZKRCKOCAKK-MOPGFXCFSA-N 415.538 1.707 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690496960 CZJRRLSFHAHOSW-AZUAARDMSA-N 418.586 1.983 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(C#N)o1 1692539470 MYGPFSGLIRGPFU-UHFFFAOYSA-N 411.510 1.994 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1693230546 LCYYOAMBROBOHO-MOPGFXCFSA-N 413.478 1.700 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1705475794 PBRWZGDYVNSXIH-INIZCTEOSA-N 404.478 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1705479098 IPJVICWSNBCIBU-PGRDOPGGSA-N 419.570 1.887 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCOC2)c1 1705505002 GWXGHJZHRMDYIJ-QFIPXVFZSA-N 420.473 1.481 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H](C)N1CCOCC1 1705540630 HTKHFTFKTBMJPG-SFHVURJKSA-N 410.522 1.937 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705566537 NXORPSKKQRJVFD-SQNIBIBYSA-N 420.535 1.492 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H](COC)OC 1705571890 KGNRWKZPYZBHKF-IBGZPJMESA-N 409.490 1.881 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1705605727 CLIAIQJRWOKENN-QFIPXVFZSA-N 405.506 1.861 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nnn(C)n1 1705872172 NEGQPLLPPQPTBZ-UHFFFAOYSA-N 402.466 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705902044 DVBJUPQOTYCAFB-SJORKVTESA-N 421.461 1.054 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1705905927 LTEVZEXYTYJXMQ-OAHLLOKOSA-N 415.567 1.873 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1708075979 YETVBPWUTVRJSI-FTFAEBDGSA-N 414.510 1.935 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1708075982 YETVBPWUTVRJSI-SJTPKYKMSA-N 414.510 1.935 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)F)CCOC1 1710447548 GRXGJRDJOGCMAA-SFHVURJKSA-N 412.441 1.051 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)(F)F 1712565287 CMCGXZQWHGTNQK-CHWSQXEVSA-N 407.393 1.657 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722320041 RSGVILADGGOQDY-UXHICEINSA-N 400.571 1.802 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCN(CC)CC1 1722341427 FMUDMCOIEVTJPB-QGZVFWFLSA-N 403.575 1.292 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC 1722396093 FTMCKHBWYSLOOX-GOSISDBHSA-N 405.568 1.375 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(C)(=O)=O 1722427365 NTTSPZDJNLZOII-HZPDHXFCSA-N 412.556 1.327 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722442081 XTOSICBPIFXIGP-INIZCTEOSA-N 414.554 1.456 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2cnccn2)CC1 1722701113 GOZAVIGBAQRLGN-UHFFFAOYSA-N 424.534 1.349 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1722868137 ACGRKCNBVOVKHJ-INIZCTEOSA-N 403.531 1.107 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1726447587 CMKHUEJOSKXYMZ-INIZCTEOSA-N 422.489 1.742 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CC1(SC)CC1 1727602670 GIYBWGSQAZDOMQ-UHFFFAOYSA-N 400.556 1.976 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1729409078 WVJIJBNKSMOLNT-RBUKOAKNSA-N 407.478 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@H]1CO 1740556911 GQPBDHMFBQPIFS-ROUUACIJSA-N 402.543 1.095 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](C)C1 1740592233 UHLRUPYDVYQQAH-ULQDDVLXSA-N 409.556 1.507 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn2ccccc12 1740657152 QVUXYFLBSICYAS-QGZVFWFLSA-N 422.514 1.339 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1740677060 PWWNAAWOUFGWEX-JTSKRJEESA-N 424.480 1.486 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@@]2(CCOC2)C1 1740955924 IQGAQOJNEIDPFD-FQEVSTJZSA-N 417.897 1.896 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C1CC1 1741370378 KQXBXLBQXZTZFM-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1741991623 LWXITOKADKDCAJ-UTKZUKDTSA-N 410.478 1.324 30 10 HDEE C[C@@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCOC1(C)C 1743374941 HEIPGSRHBUOJAF-KSFYIVLOSA-N 410.522 1.887 30 10 HDEE CCc1nnc(N2CCC[C@H]2c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1744669401 BCGZIEQHTHSAIZ-IJYGLTAASA-N 410.482 1.442 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1748747332 GJTZTIRFTKUIIQ-LSDHHAIUSA-N 401.467 1.659 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748823747 AXLPQALUFSFBCD-YYIAUSFCSA-N 410.515 1.895 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccccn2)CC1 1748971285 KOJHBHMPHDPZDT-UHFFFAOYSA-N 409.538 1.589 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCOC2)CC1 1749303307 HVIARWHOHUTABV-QGZVFWFLSA-N 423.539 1.114 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749428853 CMVOFFZWYLLAKC-INIZCTEOSA-N 414.514 1.599 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1749796433 MDLVUZDTGOXWLQ-WMLDXEAASA-N 411.466 1.047 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)n(C)n1 1751822761 HPSSCADIGSTVQZ-RDTXWAMCSA-N 420.543 1.109 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760170344 YSJWDLVCIWZHKA-QZTJIDSGSA-N 414.535 1.614 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760335527 NTSKLMBOYZSQEV-SCTDSRPQSA-N 411.510 1.821 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760432917 OKPWGCMYRUMYKN-KKUMJFAQSA-N 410.544 1.102 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760449281 GAAWUFNSCQPQNP-IRXDYDNUSA-N 403.527 1.953 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1760465912 ZNCRQUBQALFTKE-UHFFFAOYSA-N 404.536 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760520273 IOWFMZZPJZZQNS-GXTWGEPZSA-N 412.416 1.742 30 10 HDEE CCC(CC)[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)OC 1762154431 CEJBJACEEPTVBM-QZTJIDSGSA-N 418.542 1.971 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)no1 1764637026 QWRMORCZSDJPLK-ZQIUZPCESA-N 403.487 1.786 30 10 HDEE CN(C)C(=O)CCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768439288 IIRXROXIOPUGOG-FUHWJXTLSA-N 415.542 1.217 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1772842551 ZQAFJPOESKKATJ-YEJXKQKISA-N 420.477 1.668 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)CCN2C(=O)CCCC2=O)C[C@H]1c1ccccc1Cl 1849904464 XAAHFVUXKDJSAJ-DZGCQCFKSA-N 409.895 1.748 30 10 HDEE CN(C)CC#CCNC(=O)c1nnn(-c2ccc3c(c2)OCO3)c1-c1ccncc1 1850611295 KWMXYDZKKYUZAP-UHFFFAOYSA-N 404.430 1.353 30 10 HDEE CC(C)c1noc(-c2ccn3c(CC(=O)NCC#CCN4CCCC4)nnc3c2)n1 1850614490 KKJKTZJQVKWTTI-UHFFFAOYSA-N 407.478 1.661 30 10 HDEE C=CCc1c(OCCC(=O)N2CCN(S(=O)(=O)CC)CC2)ccc2c1C(=O)CC2 1851949633 AWSZVQFCDUUQOK-UHFFFAOYSA-N 420.531 1.807 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(c3ccc4c(c3)OCCO4)C1)C(=O)C2 1852555506 CCGJKZPFHOPCII-HNNXBMFYSA-N 403.394 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)NCC#Cc2cccnc2)CC1 1852592050 HQDXPCHGCUEWQK-QZTJIDSGSA-N 412.490 1.265 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)CCON=C(N)c3ccc(C)n3C)CC2)cc1 1853407811 QUCHKFGODWQYKL-UHFFFAOYSA-N 411.506 1.654 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)CCn3cnc4cc(C)c(C)cc43)C(=O)C2)C1 1853729069 HIWXMQBJGCTYPD-IBGZPJMESA-N 409.534 1.974 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C2(CCCCC2)C1=O 1853945846 FIUBFKSIPACIAS-CYBMUJFWSA-N 400.401 1.437 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2=O)cc1C#N 1854037361 KUKAZUQILYKBMS-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE COc1ccc([C@H]2CN([C@@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)CCO2)cc1 1854717799 NOENTLJNNAVECT-WOJBJXKFSA-N 406.442 1.776 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1855060329 MPYKEWXKDIQCCS-INIZCTEOSA-N 409.552 1.074 30 10 HDEE Cc1cc(N2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)ncn1 1855876366 OHICAHURPCEZFB-SFHVURJKSA-N 404.474 1.468 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(c4cncnc4)C3)ccc21 1856085567 JXHGTJNWUVOHEL-UHFFFAOYSA-N 412.471 1.647 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(F)cc3F)C(=O)O2)CC1 1856604543 WOBOJPILEWHEJD-OAHLLOKOSA-N 413.402 1.491 30 10 HDEE Cc1ncn(CC(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)c(=O)c1C 1857173126 MYLWPSBGUINODC-UHFFFAOYSA-N 407.474 1.381 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OC)cc1 1858962239 BCHBWMDBPVODHF-UHFFFAOYSA-N 402.428 1.673 30 10 HDEE Cc1cncc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)c1 1870110624 ACHMCUMOEGGVRE-UHFFFAOYSA-N 421.373 1.929 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN(CCO)CCCC 1870671502 ZRSJDXDJFMGNRF-UHFFFAOYSA-N 410.511 1.587 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc2[nH]ncc2c1 1870962038 ODEQHHOLFNIQOF-UHFFFAOYSA-N 411.462 1.664 30 10 HDEE C=CCn1c(C(=O)N2CCOCC2)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873560638 GZQBUHDEHIXIOF-UHFFFAOYSA-N 413.478 1.433 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C#N)cc3F)CC2)CC1 1889367885 SVSHUTLBWNGKNT-UHFFFAOYSA-N 412.509 1.959 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)C2)c1 1890766831 FWHGBPSXZBJULL-KRWDZBQOSA-N 420.425 1.434 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H](O)CN2C(=O)OC(C)(C)C)[C@@H](C#N)C1 1897681897 CJENYGVWBUJTNB-KKUMJFAQSA-N 424.498 1.328 30 10 HDEE Cc1csc(C)c1S(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2110093998 KDDXBPDKRZNGRT-UHFFFAOYSA-N 401.344 1.738 30 10 HDEE C=CCC1([C@@H](CS(=O)(=O)N2CCOCC2)NC)CN(C(=O)OC(C)(C)C)C1 2145725291 NNSILWGKNZRIPM-OAHLLOKOSA-N 403.545 1.050 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@@H]1CNC(=O)OC(C)(C)C 2174779429 JENLMLYHIYUYOU-PMPSAXMXSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)N1CCC(C#N)CC1 2174787445 UFONZUPHISPYKZ-UHFFFAOYSA-N 414.450 1.856 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2174788211 BZBMNXBENMDOGT-RYZVSIALSA-N 414.509 1.655 30 10 HDEE Cc1cnc(NC[C@@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212743423 WZBJRGKHVMAARU-CQSZACIVSA-N 407.320 1.987 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](N2CCN(C(=O)C#CBr)CC2)C1 2213739182 LCTDVOJOUTYPIE-KGLIPLIRSA-N 400.317 1.932 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@H](F)[C@@](O)(C(=O)C1=CCS(=O)(=O)CC1)C2 2232542788 NWZWRWQXMKJGJI-WZTLGTBRSA-N 403.472 1.541 30 10 HDEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243403569 ZJFOAMNRCUMQHO-UHFFFAOYSA-N 406.292 1.494 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243418737 KAWRXFFKARIPQE-NEPJUHHUSA-N 408.308 1.740 30 10 HDEE C[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2243701557 DXWBOVXEMOFFMC-AWEZNQCLSA-N 407.320 1.335 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2247280105 XOGPEHRFIQHHLI-UHFFFAOYSA-N 423.294 1.914 30 10 HDEE CN(CCCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247821709 BTPSCMVJLLCIJE-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NC2[C@H]3C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2255834790 JGWPUMVEASRINY-IRXDYDNUSA-N 422.338 1.959 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@@]34C[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2255843983 OQUDCEXRLUYJMT-UZUQRXQVSA-N 420.322 1.780 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(NS(C)(=O)=O)C3)c2Cl)OC1(C)C 2281943351 MAGCYQSHZHNEIM-UHFFFAOYSA-N 420.749 1.074 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282017713 NUCKJHOBNNIRJH-NSHDSACASA-N 402.347 1.338 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CC1CNC1 2282323072 VQZXBDCXLMJDIV-NSHDSACASA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@@H](N)C3)ccc2Cl)OC1(C)C 2282491077 JZOXBHQNWZMALV-VXGBXAGGSA-N 400.737 1.797 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC([N+](=O)[O-])C2)OC1(C)C 2282503010 SOIFRFFFZKHBLS-UHFFFAOYSA-N 402.665 1.289 30 10 HDEE CONCCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512228 ROTBEVFFKYSGJE-UHFFFAOYSA-N 404.725 1.459 30 10 HDEE Cc1cc(C(=O)NCCCNS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282596934 HLHMRTGILQKUJP-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282687009 ZLMUXTIJKJEFII-RHSMWYFYSA-N 402.300 1.994 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC(=O)N(C)C 2282829961 NHPPZVRAFCJQTE-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CN(CCOCCN)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282840097 LCPUDZHIMLTZHC-UHFFFAOYSA-N 424.781 1.297 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](CCO)C3)s2)OC1(C)C 2282849679 FNWFHUOMCHTONX-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282868495 OAKCKQZRYBVLKZ-TZMCWYRMSA-N 401.359 1.377 30 10 HDEE CC[C@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282871173 CJAAOQHXIXWPPX-ZDUSSCGKSA-N 402.709 1.181 30 10 HDEE CN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876469 DMMQXSZETIEHJN-KBPBESRZSA-N 401.359 1.971 30 10 HDEE C[C@@H]1C[C@@H](O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876586 GAOPJDWKWZDVOH-TZMCWYRMSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H](C(=O)O)C3)s2)OC1(C)C 2284396605 DNTBZQDKXORLJZ-WDEREUQCSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3(C(=O)O)COC3)c2Cl)OC1(C)C 2284465249 OBXDHBWLWAIOGR-UHFFFAOYSA-N 401.677 1.532 30 10 HDEE COc1ccc(C#CC(=O)[C@H](O)c2ncc(I)s2)cn1 2295801350 GPNAVUOTJZCFRP-LBPRGKRZSA-N 400.197 1.806 30 10 HDEE CC(C)(C#CC(=O)C1(O)CCN(C(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2317414756 CJWUZUYPGRZMFJ-UHFFFAOYSA-N 407.488 1.546 30 10 HDEE C#CC1(N(C)C)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2344054242 JHDZRNGRSUIOLW-UHFFFAOYSA-N 417.531 1.422 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCOC3CNC3)sc2Cl)OC1(C)C 2362206936 PSEAXSHWTQZEJV-UHFFFAOYSA-N 400.737 1.809 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C12COC(CNC(=O)OC(C)(C)C)(C1)C2 2365198884 JNCCRYCRLAINCJ-FTXHTYHOSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC 2365212308 RCMXQNTTZQEYJH-ARFHVFGLSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813929 HFBANHYVKHLRTE-VKJFTORMSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CC)[C@@H](C)NC(=O)OC(C)(C)C 2367814419 AYMJJKGVZHPSBR-SPYBWZPUSA-N 402.557 1.599 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cn1 20827575 PMAFITKDORYJBX-FBCYGCLPSA-N 400.472 1.341 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 25302400 CPWIYPJLFSNVRH-OAHLLOKOSA-N 402.322 1.653 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 54887802 LYXARBMEYLFPPW-UHFFFAOYSA-N 418.497 1.601 30 10 HDEE N#Cc1ccc([C@@H](C(N)=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 261474182 YXUPWDOFTLOLBA-FQEVSTJZSA-N 412.877 1.961 30 10 HDEE COCCN/C(=N/N)Nc1ccc(Br)c(I)c1 305934979 CZKVSVMFIWNGLC-UHFFFAOYSA-N 413.057 1.931 30 10 HDEE C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)n1cnc(C#N)n1 409471198 NBJURZYZTPHPCO-CABCVRRESA-N 416.507 1.448 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(cnn3C(C)C)c2)CC1 427504664 DLYPCBATWQAYOG-UHFFFAOYSA-N 405.524 1.226 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 432654345 LAZOLIQHHFWIOK-OAHLLOKOSA-N 401.448 1.547 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cn1 461744310 FYYAXJWAVWPFHZ-UHFFFAOYSA-N 414.422 1.585 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462085595 SRBYJYIXIUBZEF-HNNXBMFYSA-N 410.482 1.203 30 10 HDEE C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462087035 AMOCGBMWGBAVEF-INIZCTEOSA-N 422.493 1.299 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)cn1 462105468 VTLFOWXMYXDIQA-QGZVFWFLSA-N 402.418 1.851 30 10 HDEE COc1ccc(OC)c(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 464958690 GBRNHNXDFADPGL-HNNXBMFYSA-N 410.478 1.828 30 10 HDEE CC(C)Nc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468206505 WMPPOVBTVIMFSE-UHFFFAOYSA-N 413.503 1.920 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 468389824 MKOFJMJGLNSQMG-HXUWFJFHSA-N 400.866 1.473 30 10 HDEE C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 469065710 UWDJRWKBLHMQBE-WWYBLAPGSA-N 423.469 1.479 30 10 HDEE CNC(=O)CNC(=O)c1cccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)c1 501733805 KQMSEYLKZXKOKL-FQEVSTJZSA-N 402.451 1.363 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)c(SC)nc1O 505419327 FXJWBVDWINPCQS-INIZCTEOSA-N 414.487 1.484 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2c(Br)cc(OC)cc2OC)CC1 506296018 WDPWNBNFWGXFPM-UHFFFAOYSA-N 412.328 1.886 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 509204376 DQBBZNQLKYMQIV-HQQWDMGQSA-N 402.879 1.819 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N(CCC#N)c1ccc2c(c1)OCCO2 519453970 VTMQMAIBJOJHLV-UHFFFAOYSA-N 422.484 1.970 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 522898816 LPCRVGQNZRSVHW-OAHLLOKOSA-N 400.420 1.593 30 10 HDEE C=CCOc1cccnc1C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 540420449 WJMCODHJTKHYHI-OALUTQOASA-N 406.486 1.975 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC 542728534 QMJTWULEVFGZAA-UHFFFAOYSA-N 414.487 1.566 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2cnc3c(cnn3C)c2OC)cc(OC)c1OC 543282463 AOBILQOSBDYSRK-AWEZNQCLSA-N 411.418 1.997 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CCCC1 545357567 PYOLYKKGBODWGY-LJQANCHMSA-N 416.547 1.823 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(Cc2nc(C)no2)CC1 548850992 HZBWIGWTOXSVOT-UHFFFAOYSA-N 409.450 1.873 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 552363199 GOAFNYFURGUWBG-SFHVURJKSA-N 418.450 1.834 30 10 HDEE CN1CCOc2ccc(NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)cc21 554594866 ATTAWCXJPWPXTR-UHFFFAOYSA-N 405.458 1.933 30 10 HDEE COc1cc(CC2CN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)cc(OC)c1 564372952 YSMYSLPVNLBFSH-UHFFFAOYSA-N 401.488 1.919 30 10 HDEE CC(C)C[C@H](NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)NCCN(C)C 570115234 OAJZEKXSMZTDNU-MJGOQNOKSA-N 417.529 1.732 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669808040 IASIKDOAELYBKM-NQIIRXRSSA-N 423.565 1.829 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 679422757 CALQHTDJFSMHPL-INIZCTEOSA-N 421.479 1.790 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccc(C)n2)C1=O 726402624 XGQNCYHKVXTQDX-INIZCTEOSA-N 411.487 1.757 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCNC(=O)C[C@@H]2c2ccccc2)C1=O 726586304 IDSKWGGJWGPDLJ-HXUWFJFHSA-N 417.469 1.843 30 10 HDEE C#CCCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 740736493 WNTQHCGLLYHSOA-UHFFFAOYSA-N 419.547 1.233 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 741454196 IMAZRECYBDMQKO-MRXNPFEDSA-N 410.515 1.862 30 10 HDEE C#CCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)[C@H]1CCS(=O)(=O)C1 746153217 UPMFXOJJVLDKAS-FQEVSTJZSA-N 403.548 1.156 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cn1c(C)nnc1-c1cccc(C#N)c1 747822333 ARXUVOQCGHTPAV-BDXSIMOUSA-N 409.446 1.508 30 10 HDEE N#Cc1ccc(NCCNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)nc1 758433855 XWAMFMAVOOSWAM-UHFFFAOYSA-N 411.487 1.569 30 10 HDEE COC(=O)C(C)(C)[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 766983933 VEVPCJXPYRCGBC-HMNTXPNISA-N 414.462 1.753 30 10 HDEE N#Cc1ccc(N2CCN3C(=O)OCC[C@H]3C2)nc1N1CCN2C(=O)OCC[C@H]2C1 767308760 OXBWVRWBMFPGDE-HOTGVXAUSA-N 412.450 1.015 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 783546724 QAVIZPKWOWMEBB-UHFFFAOYSA-N 424.338 1.492 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)n1 790105420 HRSVPSJKHVKAKR-UHFFFAOYSA-N 406.446 1.090 30 10 HDEE Cc1ccncc1N1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 798455209 GCEWVSSUFIQHGZ-DLBZAZTESA-N 414.510 1.981 30 10 HDEE Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 800912180 HJZLKJVUUYNQJF-CCEZHUSRSA-N 403.382 1.819 30 10 HDEE CCOCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802606967 XEKSRGZGWZAYCX-IBGZPJMESA-N 412.542 1.743 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc(C(F)(F)F)n2)c1 814419161 NZSBLKSPVGMUHW-UHFFFAOYSA-N 411.405 1.984 30 10 HDEE CN(C(=O)CN1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2)C1(C#N)CCCCC1 814664599 WFOWWJTZOFGQEH-UHFFFAOYSA-N 406.527 1.993 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2cn(CCO)nc2C2CCOCC2)C1 856691406 YWHNKXYXKZTOMJ-QFIPXVFZSA-N 409.490 1.862 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(c3nc(CCS(C)(=O)=O)no3)C2)C1 904879508 UEPHIVOBNJHFLO-YNAXMUEKSA-N 410.496 1.911 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 917765276 YFXFUSYSEIUVIK-UHFFFAOYSA-N 421.526 1.875 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)C[C@@H]12 1131344223 ONXSJFBHZXIAIJ-UHOSZYNNSA-N 416.455 1.614 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1135748532 HFPKTWCJIDJSCW-UHFFFAOYSA-N 420.878 1.767 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H]2CC[C@H](C1)N2C 1140951310 GLUWQTHNSUUTML-MMNRESRNSA-N 418.563 1.881 30 10 HDEE CON(C)S(=O)(=O)c1cc(NC(=O)CNc2ccc(C#N)cn2)ccc1Cl 1148487164 VGBOORZMLWGZNO-UHFFFAOYSA-N 409.855 1.839 30 10 HDEE CCS(=O)(=O)N1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1153113118 WRPIDGHVKLSLAH-HNNXBMFYSA-N 416.544 1.504 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1154401974 NNJYXHPQCVRTTO-HNNXBMFYSA-N 409.508 1.890 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1157103200 WMGBVGGLYXNZHU-ZDUSSCGKSA-N 408.476 1.733 30 10 HDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNc1ccc(C#N)cn1 1158851717 WLYYCZNEDQKIJU-MRXNPFEDSA-N 403.483 1.850 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 1163532354 SLUKSVJXJMLYCX-IBGZPJMESA-N 422.547 1.839 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)/C=C/c1ccccc1 1165508111 KVYGXCLFCCGFJX-NTCAYCPXSA-N 406.504 1.770 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NOc2cccc(C#N)c2)c1 1171248145 YGTZFBQHTRBNKP-UHFFFAOYSA-N 409.851 1.860 30 10 HDEE N#Cc1ccc(N2CCC[C@H](N3CCN(C[C@@H]4CCCS4(=O)=O)CC3)C2=O)cc1 1175389254 GXTAIIQWIOJVGF-PMACEKPBSA-N 416.547 1.248 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C#N)cs1 1179371360 JHTBFZPJOCHHII-AWEZNQCLSA-N 417.516 1.784 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C2)c(=O)nc1O 1180989116 JDXIULIFEXTACS-UHFFFAOYSA-N 406.442 1.746 30 10 HDEE C[S@](=O)[C@@H]1CC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1184407164 VUDCJLGJFYPDOD-NAQKCOEGSA-N 402.476 1.179 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)c1nnn(CC#CCN2C(=O)c3ccccc3C2=O)n1 1189616515 NREWOCCFCJMURC-CYBMUJFWSA-N 410.434 1.558 30 10 HDEE Cc1ccc(CCC2CCN(C(=O)Cn3c(=O)c(C#N)c(C)n(C)c3=O)CC2)cc1 1189868837 FHLXJTIXHKGVFS-UHFFFAOYSA-N 408.502 1.907 30 10 HDEE CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1197301318 HPPZTKXBRSLARF-NSHDSACASA-N 400.298 1.810 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CC1 1201593515 ZWZDIYWGLTTWNM-INIZCTEOSA-N 405.524 1.339 30 10 HDEE CO[C@@H]1COC[C@@H]1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1229750297 DFIWVGBLPTZOSE-DLBZAZTESA-N 402.430 1.111 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286296589 QIQNCLVEGIOCME-IFXJQAMLSA-N 406.483 1.016 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@H](C)C1 1286350069 UJIGQYZADWBLRQ-IRXDYDNUSA-N 409.556 1.651 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1286350223 XKPALLFRVZLCLV-IRXDYDNUSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1286385732 OOUUQFRVROUECU-RDJZCZTQSA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1286387382 QLRRPRFVGIAUHT-RDJZCZTQSA-N 417.560 1.720 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1286392580 IPUUBKDXCKRBET-JKSUJKDBSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286396412 UTWYSPFMPOSATN-AWEZNQCLSA-N 402.467 1.802 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1286411128 ZHNSFIUUUCTPLD-IBGZPJMESA-N 424.526 1.374 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCNC(=O)c1cc[nH]n1 1286440428 YKIHCBJHLVTJCB-UHFFFAOYSA-N 423.477 1.575 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1286561075 BDNNWEFIUIQFPC-UHFFFAOYSA-N 400.483 1.869 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1S(C)(=O)=O 1286583414 LFEPAMSTEYIQCW-MRXNPFEDSA-N 424.571 1.227 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1286765587 HOZLQIDYCMKMCS-UHFFFAOYSA-N 424.505 1.738 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286775614 QFIQDXXHPBHAOB-KRWDZBQOSA-N 415.567 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CC(=O)NCC(F)(F)F)C1 1286804919 OCNHDLGMUZAWRJ-ZDUSSCGKSA-N 410.400 1.800 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1299363657 GWDIVRGCPSJAFI-QGZVFWFLSA-N 405.462 1.906 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1300271090 GOMGSWWTSAMYQS-CHWSQXEVSA-N 411.478 1.867 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1300459156 PBTHJIDVZLJNLB-QGZVFWFLSA-N 401.536 1.672 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCNc1nccc(C(F)(F)F)n1 1300459426 CVURYPJLUPBKOZ-UHFFFAOYSA-N 403.372 1.725 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300485582 XFLBYZRSKUTITG-CVEARBPZSA-N 407.565 1.578 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1300493222 SOOZJPBSQGITSP-CQSZACIVSA-N 412.466 1.351 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1cccn(CC)c1=O 1300553721 QJHLPFRALKFGHA-UHFFFAOYSA-N 422.533 1.889 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1300596341 QPLNMNUFTWUSJD-UHFFFAOYSA-N 400.527 1.765 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(N)=O)cc2)CC1 1300692895 OERISYOKVNWERP-UHFFFAOYSA-N 401.474 1.243 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCCO2)CC1 1300703712 QKYNVSVKOFLWHM-SFHVURJKSA-N 400.552 1.958 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1 1300863153 JMVKKGBQWBHQBN-CVEARBPZSA-N 407.540 1.064 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)Nc3n[nH]c(C)c3C#N)CC2)c1 1300944754 ADYAHJOVOQZLHS-UHFFFAOYSA-N 415.475 1.832 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301258442 SJEZTQFLTCWHDG-ROUUACIJSA-N 419.526 1.202 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1303003082 CAKBIKHWBBXSOR-MRXNPFEDSA-N 407.409 1.847 30 10 HDEE Cn1cnnc1[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1303208533 YASNRPGJXQQPRH-KHQOZGCUSA-N 414.510 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)CC1 1303344288 KRBPHRSFJIEHQD-OYRHEFFESA-N 424.563 1.920 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1C(=O)NCC12CCOCC2 1303507574 YQFIYQNWGIDZSO-CHWSQXEVSA-N 401.891 1.434 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)ccc1C#N 1312650804 JRCCRYYOHLSKGZ-UHFFFAOYSA-N 411.437 1.837 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 1339955946 CLQCULKIXPMPDZ-MRCUWXFGSA-N 416.453 1.320 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2Cl)n1CCOC)[C@H]1CCS(=O)(=O)C1 1343779050 VHNWKROSGFKZJU-INIZCTEOSA-N 422.938 1.795 30 10 HDEE C#CCCCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1348130754 LYIHYQGCLDDLCS-ILZLQZNLSA-N 402.535 1.976 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1349408599 OARHVBJMLJXGEO-LBPRGKRZSA-N 405.303 1.865 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1353609474 JRJRPCGMJSUBEZ-UHFFFAOYSA-N 419.503 1.433 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@H]2CCC(=O)N2)c1 1358903515 ZRQCRVAOPFADJY-QGZVFWFLSA-N 410.478 1.149 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1358929468 AOICDYKXNSRKPI-QFBILLFUSA-N 420.539 1.154 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)COCCO1 1358949093 SLDJFSGANQAFGM-OAQYLSRUSA-N 411.510 1.327 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358967483 LFLOLSXPAZRTRS-KZNAEPCWSA-N 424.567 1.647 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1359034798 CTYCTKOWTDEPQP-UHFFFAOYSA-N 405.568 1.658 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC(O)CC2)CC1 1359035460 UWJIEDJRYOQAHO-HXUWFJFHSA-N 416.570 1.122 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NCC)CC1 1359104851 GNGVGEYIIXOZCZ-KSZLIROESA-N 418.542 1.962 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359226542 HQVHRHLVJTVSCC-DLBZAZTESA-N 419.526 1.596 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1359227451 BOVOZFUXSSDDGM-ROUUACIJSA-N 423.583 1.447 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(OC)cc1 1359291527 UPCIUTQHSLKJRS-UHFFFAOYSA-N 400.483 1.364 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN(C)CCC)C1 1359298422 YZZCQOQRGQAJFZ-INIZCTEOSA-N 400.531 1.149 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@H](C(=O)OC)C1 1359303574 UFOQDQNWNHQPEA-GOSISDBHSA-N 411.506 1.755 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCOCC2)C1 1359318710 KOYJVDNZAIWNCR-GOSISDBHSA-N 400.527 1.787 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359341361 URQRAMKWYBWPLS-OAHLLOKOSA-N 414.539 1.695 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=CCC1 1359342985 JOSSYRVYZFIQEH-HNNXBMFYSA-N 413.569 1.297 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(C4CCOCC4)nn3C)CC2)c1C#N 1436555783 ICTUWWYFAXBDGG-UHFFFAOYSA-N 400.508 1.913 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCCCC#N)CC2)cc1 1437449428 DPZBLFRGGBAFQA-UHFFFAOYSA-N 408.524 1.347 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2ccc(Br)cc2=O)CC1 1440763745 YMYTYIPGRPVSRS-UHFFFAOYSA-N 402.252 1.226 30 10 HDEE N#C[C@@]1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCSC1 1442987500 MLTAENGDWZEYIX-KRWDZBQOSA-N 411.505 1.032 30 10 HDEE Cc1cc(NCCNC(=O)c2cccc(C#N)c2Br)n2ncnc2n1 1445096528 QNBYQXCOFLJUMT-UHFFFAOYSA-N 400.240 1.909 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)c1 1453279753 DZZGLIPJIVGFPQ-PZJWPPBQSA-N 412.511 1.836 30 10 HDEE CC(=O)NCC(=O)N1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 1454606867 CLSGFDRNKUBYQS-UHFFFAOYSA-N 424.457 1.541 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)C1 1455705279 PDPRZXMRNIEDRH-QGZVFWFLSA-N 407.511 1.828 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1S[C@H]1CCN(CCC(=O)OC)C1=O 1458874566 MCDGPPIVXVWIHQ-INIZCTEOSA-N 421.567 1.749 30 10 HDEE N#Cc1ccc(C2(NC(=O)CN3CCCC4(CC4)S3(=O)=O)CCOCC2)cc1 1462128497 QCQIBEBHLWOUAL-UHFFFAOYSA-N 403.504 1.638 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCOC[C@@H]2C(=O)OC)cc1OC 1465601733 VTUUVFWMIXPAMJ-MRXNPFEDSA-N 408.451 1.625 30 10 HDEE CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1 1465678892 FALUZKRDFVGEES-UHFFFAOYSA-N 417.466 1.960 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C3CCN(C)CC3)C2)s1 1466657042 CFDIEZKUJSAGDN-INIZCTEOSA-N 411.593 1.945 30 10 HDEE N#C[C@H](CO)NC(=O)C1(NC(=O)NCc2cccc(Br)c2)CCCC1 1468044120 VGPMBIRNFOLVKM-CQSZACIVSA-N 409.284 1.562 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccc(C#N)cc3C2)cc1OC 1469461229 MZBMXUPFTMOKDL-UHFFFAOYSA-N 401.444 1.396 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1470591087 JDRUUNXBRMGZHJ-ARFHVFGLSA-N 407.515 1.741 30 10 HDEE C#C[C@H](NC(=O)N1CCOC[C@H]1CNC(=O)NC)c1ccc(Br)cc1 1470663691 QSHQCHQUTQXPKA-CABCVRRESA-N 409.284 1.463 30 10 HDEE C#CCN1CCC(NC(=O)CCNC(=O)c2cc(F)ccc2Br)CC1 1471938261 HPDJJOSHAPHJKL-UHFFFAOYSA-N 410.287 1.922 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCOC[C@H]2Nc2ccnc(C)n2)cc1C#N 1472383874 ZDGNRXOXZSEBIR-UONOGXRCSA-N 400.464 1.479 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1475378991 ANFWTFVUKISYKI-RTBURBONSA-N 406.504 1.842 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1475630218 UVTRLAMXUGQKAS-UHFFFAOYSA-N 419.528 1.087 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccnc(-n4cncn4)c3)C2=O)cc1 1478423103 XTFYBPKHUJIRSK-GOSISDBHSA-N 416.445 1.529 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 1478505003 WYXZHPUASPYYQX-UHFFFAOYSA-N 417.890 1.317 30 10 HDEE CSCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1505263980 KSRJXHVHXBLYKD-UHFFFAOYSA-N 410.507 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCC1 1507523399 LKAKENVVMRWGEI-INIZCTEOSA-N 405.510 1.863 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1507627902 UKNIIDCADRBXDJ-ROUUACIJSA-N 406.483 1.740 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507632919 QTXZAFGJEBKQMD-OWCLPIDISA-N 410.565 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1507673208 PEJAPHNLUDBZNL-GOSISDBHSA-N 419.485 1.703 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCO[C@H](C)C1 1507713771 WSLLRFXKCLUMFZ-QZTJIDSGSA-N 403.527 1.692 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(Cl)s2)CC1 1507723291 CISLYHZJQWAHAR-OAHLLOKOSA-N 418.954 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CC)CC1 1507736217 IANVDZMROIPKQT-HXUWFJFHSA-N 421.549 1.790 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@H](C)C2)CC1 1507738596 RVHKKRCCSXZABQ-RYRKJORJSA-N 412.538 1.631 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1507895808 DAKCQQYFKYXNIL-NVXWUHKLSA-N 412.556 1.839 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1507980768 CNWINJWMDAFQHR-UHFFFAOYSA-N 414.535 1.939 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508090730 IKRAJFPRGJORAG-QFIPXVFZSA-N 424.505 1.184 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1508143935 PUSNZRZMZZPTRC-SFHVURJKSA-N 423.583 1.132 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCS1 1514137340 FTIJPVBJSMYSBJ-INIZCTEOSA-N 420.564 1.698 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC=CCO1 1516591595 CLTKYBDMGVEYMV-IAGOWNOFSA-N 424.509 1.536 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1518834763 VWUGUFWAASDLRQ-CQSZACIVSA-N 421.461 1.666 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)cc1 1533725704 YYBIZUVVBRFDPC-QGZVFWFLSA-N 418.519 1.784 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)CC2)o1 1538982787 MNBKBWQFAYTWRX-KRWDZBQOSA-N 406.508 1.497 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1539215590 GHQSCSISSSFKEQ-HNNXBMFYSA-N 418.523 1.034 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1539517864 SWHUFIDOJBQILH-KGLIPLIRSA-N 400.595 1.488 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539709765 HCTMWUOJPDNSEP-UHFFFAOYSA-N 410.522 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540866053 BDHTVWZTADPUNM-NRFANRHFSA-N 412.494 1.218 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CCO1 1541071728 AIAXZPZFSRKHHW-IBGZPJMESA-N 406.446 1.799 30 10 HDEE COC(=O)Cn1ccc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1542817060 RCVXLMFFZLNZIF-DMAKZNTKSA-N 417.466 1.781 30 10 HDEE COc1cc([C@H](C)NC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1OCC(C)C 1543774251 BUBCYHHXGMPOOG-ZDUSSCGKSA-N 400.435 1.741 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(CC)nn(C)c2CC)s1 1545871627 TUWAFFXMFKGZBQ-UHFFFAOYSA-N 410.565 1.930 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1545878144 YIYKOSCLOJXRPE-OALUTQOASA-N 405.478 1.117 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1545878146 YIYKOSCLOJXRPE-RTBURBONSA-N 405.478 1.117 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@@]1(C)CN(C)C1=O 1548189554 XMECAGHUHJYOLJ-XMSQKQJNSA-N 424.505 1.742 30 10 HDEE COc1ccc(OCCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1554982047 JARSYXXVVORJLY-VQIMIIECSA-N 413.478 1.988 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1555720323 QSXMDOXKICXASW-MJGOQNOKSA-N 424.505 1.442 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1([S@](C)=O)CC1 1555736765 BFFGPCSCPIGGLP-LMGGTIKBSA-N 407.540 1.653 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1558328597 BRFMMGKVNBRVRH-GNISGLHKSA-N 410.518 1.114 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1 1558416753 PBGJVGRERUUOIE-RNKNFESXSA-N 408.520 1.853 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3COC4(CCCCC4)O3)CC2)cc1 1559639943 HJHHMKJFCRAVIV-SFHVURJKSA-N 405.520 1.940 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1559842805 CZWAOFZLFJTMPS-RGCFKVTRSA-N 423.535 1.356 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCc2ccco2)ccc1C 1587585202 DMFRDYWHVILQTP-UHFFFAOYSA-N 419.459 1.595 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1587683298 GTOXWGOUDHZLFH-MPGHIAIKSA-N 416.526 1.813 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1588035648 WMJLATSMSPDVGA-RBUKOAKNSA-N 402.520 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1c(CC)nn(C)c1OC 1588214827 ZWJVLQWNSKKMAL-UHFFFAOYSA-N 406.494 1.494 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1588250482 DNGVZABPCFHOQE-NRFANRHFSA-N 419.485 1.997 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCC)CC2)CC1 1588885662 YGFGFEABYGCXNZ-UHFFFAOYSA-N 414.554 1.962 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589530540 WMCXMQZNAQPSBZ-SJLPKXTDSA-N 423.583 1.997 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1593741352 NBFKRUHKYKXASQ-GOSISDBHSA-N 413.526 1.881 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)N2CCOCC2)CC1 1594409115 SPTMWIFUNSNZDI-UHFFFAOYSA-N 413.526 1.401 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1594858332 YQJPZUDZZKESRI-AUUYWEPGSA-N 424.498 1.729 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CCc1cnccn1 1595556011 MDEAAMHVSKHBAS-UHFFFAOYSA-N 409.469 1.779 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)OC)C1 1595569500 IDVMHSWIKJLZMX-SFHVURJKSA-N 411.506 1.755 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1595788964 LXBYTOGIRNSRSM-KGLIPLIRSA-N 418.585 1.404 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1596781369 AXCUOOOGUBPSSC-CQSZACIVSA-N 411.510 1.435 30 10 HDEE CC(C)CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1=O 1607567705 PKBJIVRNVRUEPB-UHFFFAOYSA-N 424.505 1.558 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1614215025 CSAFENUJXWCBFB-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE C[C@](CO)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Br)c1 1620650655 FUFZZNWDIXNGKW-QGZVFWFLSA-N 424.320 1.987 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)Cc1ccc(C#N)nc1 1623561214 UQFFSPQXACTKAK-INIZCTEOSA-N 402.451 1.507 30 10 HDEE C=CCC[C@@H](NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OCC 1624304411 VQVHAVWWMQXBDZ-GOEBONIOSA-N 411.524 1.994 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1625173072 VRTDKXZHIDNFCL-LLVKDONJSA-N 422.283 1.419 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 1625187985 FBYWACWYSDXEJY-KRWDZBQOSA-N 404.536 1.894 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1626230035 DDVHPIVBANSMEM-UHFFFAOYSA-N 424.523 1.113 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1627611166 CPSWWKRKXGRSEZ-UHFFFAOYSA-N 413.865 1.699 30 10 HDEE N#CCN1CCC(CNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1629081840 GNIRRHUFHSUYLU-UHFFFAOYSA-N 404.536 1.511 30 10 HDEE C[C@@H]1C(=O)N(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(=O)N1C 1633409375 JDKVZGZEMYOZOA-LLVKDONJSA-N 412.406 1.336 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@](O)(c1ccccc1Cl)C(F)(F)F 1633523084 YCUIOXXBIVWGCR-CQSZACIVSA-N 414.833 1.990 30 10 HDEE CN1C[C@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)N(C(=O)OC(C)(C)C)CC1=O 1633656494 CUGVCKZYWGDXEM-QGZVFWFLSA-N 414.462 1.226 30 10 HDEE C=CC[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccncc1 1633820539 QAZBOJPROFIARU-MRXNPFEDSA-N 422.894 1.546 30 10 HDEE C[C@@H](CC(=O)Nc1ccc(Cl)cc1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 1634382114 AKMZECDBGYXOAN-JTQLQIEISA-N 420.878 1.895 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CCC(C)(C)C)C(N)=O)s1 1635255551 ROGANICIEUAXIP-ZDUSSCGKSA-N 401.554 1.551 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)s1 1635662327 JUXHNIBTIAJISY-BBRMVZONSA-N 424.548 1.525 30 10 HDEE CCOC(=O)N1CSC[C@H]1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1636142808 VFTQVFAVBDSVPO-KRWDZBQOSA-N 404.492 1.989 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)c(OC)c1 1636830298 KIOLRYLJBJFZMF-UHFFFAOYSA-N 418.490 1.720 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2ccccc2)CC1)c1cc[nH]n1 1637551140 DKHUDRYJMSRJMH-KRWDZBQOSA-N 400.435 1.684 30 10 HDEE CN1CC[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1638602354 LXJDFJVHQFOTLZ-OAHLLOKOSA-N 420.535 1.270 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1638922711 USFHOVACPSKAAO-SJORKVTESA-N 409.527 1.683 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 1638968606 RYNUGPPDELMTAI-KRWDZBQOSA-N 408.252 1.442 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]3[C@H]3CCCO3)CC2)cc1 1640356382 VRAJSMHITJHOCQ-GUDVDZBRSA-N 403.504 1.643 30 10 HDEE C#CCCCCCCN1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 1642068355 VOLAKTZXRRXRBQ-UHFFFAOYSA-N 413.565 1.224 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1642270813 ODLJTPGFRCCGHY-UHFFFAOYSA-N 404.345 1.805 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(COc2ccccc2C#N)c1 1643281688 XSWKUCOFCAAYDS-LJQANCHMSA-N 408.458 1.907 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1644462397 NOQNYZHZRFZIIM-HNNXBMFYSA-N 408.296 1.963 30 10 HDEE N#C[C@@]12CN(C(=O)CCOc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1646439930 UHHFLACWRPVARK-LRDDRELGSA-N 413.293 1.615 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1649011804 QEADCMBOEDGBKH-NDEPHWFRSA-N 415.512 1.050 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1655709548 UFURLNJBTMMLHE-UYAOXDASSA-N 415.513 1.335 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1CS(N)(=O)=O 1655743974 NZYZYLVOHJXHBK-KFWWJZLASA-N 410.565 1.733 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCC1 1660284489 WWGQRKIIWQBQFT-UHFFFAOYSA-N 415.559 1.544 30 10 HDEE N#C[C@]12CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]1CS(=O)(=O)C2 1660452675 KZQPPGINVZKGHM-XGWLTEMNSA-N 424.320 1.573 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Br)C(=O)OC 1662441462 VXXUJRLBVWRATH-JTQLQIEISA-N 410.673 1.954 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1663135625 HUAKQSOAXTVGIW-QZTJIDSGSA-N 412.508 1.128 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)CC2)cc1 1670358076 AWZZTCITMFTPQE-UHFFFAOYSA-N 417.535 1.346 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C(=O)OC 1670894190 STWXQYQDJXPHRY-ZDUSSCGKSA-N 418.899 1.837 30 10 HDEE Cn1cc(CNC(=O)NCc2nc(C3CCOCC3)n[nH]2)c(-c2ccc(C#N)cc2)n1 1671561490 HFLBAYWKSSHFLU-UHFFFAOYSA-N 420.477 1.970 30 10 HDEE COC(=O)Cc1ccccc1CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1672352230 FPOJMIUQFTXEIL-FQEVSTJZSA-N 420.469 1.874 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](c3cccc(Cl)c3)C2)CC1 1681913702 FHPQFZXEANMFGI-WMZOPIPTSA-N 424.954 1.771 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H](CC)c2ccccc2OCC(=O)N(C)C)nn1 1682676015 FUUWTOYVOSNLSQ-QGZVFWFLSA-N 400.483 1.882 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)NCC(C)(C)CC#N)CC12CN(C(=O)OC(C)(C)C)C2 1683046768 SDKYDDBVSGKGFK-AWEZNQCLSA-N 408.499 1.978 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC(F)F)OCO2 1689943370 QXPQOZDKSYZDTL-UHFFFAOYSA-N 421.404 1.864 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1sc(C)nc1C 1690106282 PUCJYORNADURTQ-UHFFFAOYSA-N 402.524 1.608 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCOC2)CC1 1690150330 CZWGMHRMIOFGDR-IBGZPJMESA-N 422.533 1.656 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 1690364126 KAQMMHXYOMVSIE-AWEZNQCLSA-N 418.523 1.192 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1690507856 YUNWEMHYZOOKRN-DOTOQJQBSA-N 401.467 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[S@@](=O)C(C)(C)C)C1 1690697389 ULYGHARXQXDJDC-SLBZEPJWSA-N 409.556 1.558 30 10 HDEE CC(C)C#CC(=O)NC[C@@H]1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CO1 1701405422 XRSGBOUSFFXENV-SIFVSHMBSA-N 400.519 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1705489812 WULZMYLGGFMODC-AWEZNQCLSA-N 400.508 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCNS(=O)(=O)CC 1705497250 WWKXJBIWCRPIGU-HNNXBMFYSA-N 405.524 1.275 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1705570887 SKEQPNGQYXDRJW-SFHVURJKSA-N 418.567 1.699 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1cn(C2COC2)nn1 1705623239 KUISPINXXOEHIF-UHFFFAOYSA-N 423.477 1.251 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCC1 1705623752 CYEWKYKLLBOAAN-UHFFFAOYSA-N 422.493 1.312 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 1705819076 CPGBKZGDQDWJMI-HNNXBMFYSA-N 413.544 1.192 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1705819434 LFNHPJBVLYWOKS-AWEZNQCLSA-N 419.498 1.813 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705830026 IDOQIRLSGMPVOW-XLIONFOSSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@]2(CN(Cc3ccccc3)CCO2)C1 1705897285 JPIKUNQFWBLWEU-HSZRJFAPSA-N 424.549 1.760 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C)C1 1705931322 MLRLBBVHWFBJFX-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC([C@@H]2CCOC2)CC1 1705937862 GVQRAZOPWPKFPM-QGZVFWFLSA-N 412.556 1.668 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1705938298 URANRJJYMVKLLI-LJQANCHMSA-N 420.539 1.131 30 10 HDEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c2ccccc2n1 1707274882 JWQHCNYTSJZXGW-KRWDZBQOSA-N 422.489 1.930 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1710980859 UMQOXSCVHUGJQJ-HOTGVXAUSA-N 410.434 1.409 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cnccc1OC 1712454091 HUNKGINZZXTOSM-INIZCTEOSA-N 400.483 1.990 30 10 HDEE COCCOc1ncccc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1C(C)(C)C 1712584483 YFTNFFSXETZSCX-INIZCTEOSA-N 400.483 1.773 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722320047 RSJWFWBEOGFVNR-RTBURBONSA-N 414.554 1.328 30 10 HDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C(=O)NC)C1 1722340218 QZHZSZZMRPTOMY-LJQANCHMSA-N 411.506 1.784 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@H]2CCCO2)CC1 1722436546 IPKUMNPSWYSWJQ-UXHICEINSA-N 417.554 1.861 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(Cl)s2)CC1 1722437712 WATLOBKGOXPZNH-CQSZACIVSA-N 404.927 1.748 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(COC)CCOCC2)CC1 1722446099 MOPNHZODCHIDAB-UHFFFAOYSA-N 415.538 1.565 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)nc2OC)C1 1722712752 YXIGTXKAFPZNAP-MRXNPFEDSA-N 423.477 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722727736 QJHMCGFMLGUYFA-LJQANCHMSA-N 409.556 1.499 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1725008333 LECAXDNLULWTSU-PXAZEXFGSA-N 410.475 1.588 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C[C@@H]1N1CCOCC1 1726670221 DEHZWCOAESVJTI-APWZRJJASA-N 410.522 1.745 30 10 HDEE CCC(O)(CC)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1727293735 HJKGPKWTTFYUBP-QGZVFWFLSA-N 409.494 1.796 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1729153102 IRTPGHQKUUNYSN-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1729168116 OISBVBWVRCGNCK-UHFFFAOYSA-N 421.509 1.152 30 10 HDEE COCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1730432864 AMKDSNPURIGZKG-UHFFFAOYSA-N 405.524 1.970 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626742 YSHHHHFOMVUFEA-MSOLQXFVSA-N 405.568 1.198 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1740642233 TYOUXVYHVLZHEB-UHFFFAOYSA-N 424.530 1.245 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1740651939 OLDFMACPFOOMPU-XUTLUUPISA-N 417.473 1.273 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1740653219 FAOFNOMBJVCQCG-IBGZPJMESA-N 418.501 1.351 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(=O)NCC(F)(F)F 1740687297 YPOLJZXJJXQBDK-UHFFFAOYSA-N 410.400 1.028 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1740715665 DLCTXMNWMXLUMR-CABCVRRESA-N 404.540 1.091 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1740788022 OGSQAUBNJJFJED-CVEARBPZSA-N 415.560 1.342 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1nncn1C 1740995391 JWOOJAYTONPRDG-OAHLLOKOSA-N 416.555 1.903 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1741125197 KOZUZLBVPPRLIA-QUSNUVHPSA-N 410.522 1.979 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747770827 VBADEFJKAWMGRZ-CQSZACIVSA-N 415.479 1.063 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1748635423 ROSZGPXYXQNJNT-QGZVFWFLSA-N 422.533 1.917 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748809192 KLDAVIPFGXOWEH-NVXWUHKLSA-N 418.519 1.615 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1748811470 HPBJTWCBSRETQZ-IRXDYDNUSA-N 417.560 1.862 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1749235346 COZPSDAQUGEBAM-LZJOCLMNSA-N 416.526 1.582 30 10 HDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1749456011 QUNNIXJCTDQVEN-UHFFFAOYSA-N 422.449 1.848 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC=CO2)C1 1749698359 UERFQYHKFBWSKF-HRCADAONSA-N 411.528 1.362 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)Br 1750007398 KLKWSASRWBNQSG-WDEREUQCSA-N 424.246 1.719 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1751097140 FDKQCDKAOZVJFR-AWEZNQCLSA-N 417.539 1.876 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1760136449 ICISTUWTQIMBKK-GOSISDBHSA-N 400.527 1.334 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760183001 NXJYSIDYXXPWPJ-JTDSTZFVSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1760201696 IPMOWXIMZSUABX-HZPDHXFCSA-N 414.510 1.605 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1760224757 YCUKWPRDZUBMRP-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1760241338 WRKGZMRURYHXEB-UTKZUKDTSA-N 413.453 1.160 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC)OC)CC1 1760271915 QYQRGYMDIWKNST-IBGZPJMESA-N 410.522 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CC1 1760295133 NTWGCWYRXQRBOR-WZXMGIQQSA-N 410.565 1.083 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760428061 OFRSIASQLPZAQT-HNNXBMFYSA-N 402.499 1.659 30 10 HDEE C=CCN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1760472456 KXRPYSWKNAMMDO-ZZEZOPTASA-N 407.478 1.965 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1)C1CC1 1760474084 MMVJPWMJEXEQOG-SFHVURJKSA-N 424.505 1.823 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1760770714 DCDQTVHCQPVPKX-OAHLLOKOSA-N 422.555 1.225 30 10 HDEE Cc1nc(CCn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1762317909 RKDYBDKHXUARLK-LIRRHRJNSA-N 402.503 1.584 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1763514667 MXOKUTULPURXDR-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE O=C(NCC#CCN1CCOCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 1851499021 WHHHBTGIBHXJBR-UHFFFAOYSA-N 403.910 1.644 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(Cc4nnc5n4CCCC5)CC3)cnc21 1853150043 UBAGEDMJPISXGO-UHFFFAOYSA-N 404.478 1.331 30 10 HDEE CCCS(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCCC2 1854037002 GXRSZMHGKBELKR-UHFFFAOYSA-N 404.492 1.680 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CC(c4nc(C(C)C)no4)C3)CC2=O)CC1=O 1854316846 DBTGRBPAWSZXKE-CABCVRRESA-N 415.494 1.002 30 10 HDEE CC(C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854321839 RVRZVDZZNFJNSE-KRWDZBQOSA-N 418.519 1.038 30 10 HDEE COCC(=O)N1CCCC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854371431 LFTAVKNKDUYYSG-GOSISDBHSA-N 400.479 1.598 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1c(F)cccc1F 1854605483 FIKPMSXYENFRRS-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE Cc1ncn(CC(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c(=O)c1C 1855472617 YKLJFJCTOUMJQU-QZTJIDSGSA-N 411.506 1.394 30 10 HDEE C=C(C)CN1CC(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc21 1855765182 YPWWEZIYTRAQNM-QGZVFWFLSA-N 410.518 1.885 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccnc3)C2)CC1=O 1856400491 LXBSFEGLCXPCCP-IRXDYDNUSA-N 420.535 1.118 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@H](N2CCC(N(C3CC3)S(C)(=O)=O)CC2)C1=O 1856797265 MXUDMSWIWZVTMC-QAPCUYQASA-N 411.568 1.605 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CC(=O)N1CCCC1 1857232518 XEYVDGZSLMSBJI-CQSZACIVSA-N 402.882 1.701 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc2c(N(C)C)ncnc21 1873593093 FDVAYZRJRWIESE-UHFFFAOYSA-N 414.491 1.261 30 10 HDEE COc1ccc(CCc2nnc(SCC(N)=O)n2/N=C/c2ccc[nH]2)cc1OC 1874218829 GCOKEWXPKDTYNN-SSDVNMTOSA-N 414.491 1.868 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccncc3F)CC2)CC1 1889238605 HQUVUXWYQGOZFR-UHFFFAOYSA-N 402.514 1.871 30 10 HDEE COc1nn(C)cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889338095 NZKYZYDREDOPHU-UHFFFAOYSA-N 417.554 1.079 30 10 HDEE N#Cc1cccnc1OC1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1891711855 AVMGQAWOUQBHEG-UHFFFAOYSA-N 418.519 1.527 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2(CC(=O)O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1977776619 KMSGLXHYZVPJAE-CQSZACIVSA-N 424.498 1.895 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC(C#N)CC1 2054404265 UGBYYKJXWDMGNX-SFHVURJKSA-N 406.508 1.810 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 2124705661 KYCSXSGASKVXMP-GFCCVEGCSA-N 401.510 1.318 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 2174779335 HYSXZHHKSZMKEI-HNNXBMFYSA-N 401.529 1.873 30 10 HDEE C#CCN(C(=O)[C@@H](CSCCC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180120771 ZDDHCIADBLEYFQ-HUUCEWRRSA-N 418.581 1.672 30 10 HDEE COC(=O)CS(=O)(=O)N(C)Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202313630 MKTLONLTEUYNGL-UHFFFAOYSA-N 403.331 1.290 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243676557 KTXFOXHIDILXAN-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2247840107 HXDJDBPZYNQUFW-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N(CCC(=O)O)Cc3ccccc3)nc2)OC1(C)C 2248576401 GGXXCAMLUBIMRI-UHFFFAOYSA-N 411.267 1.893 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2250291312 YJCZQXFNMDDUPL-JSGCOSHPSA-N 420.319 1.742 30 10 HDEE N#Cc1ccnc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258172936 WEEMSXTVIBNWCX-AWEZNQCLSA-N 404.404 1.075 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267126974 PEKHKNCFYRNKIY-UHFFFAOYSA-N 407.750 1.817 30 10 HDEE CC(C)[C@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352380 DMWZBXFSKQSBAS-LLVKDONJSA-N 409.766 1.996 30 10 HDEE CCN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2282028513 FXNZDTQFOGQTGM-NSHDSACASA-N 402.347 1.338 30 10 HDEE C[C@H]1CNCC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308810 WQXUXWQDPAQPOH-CMPLNLGQSA-N 420.793 1.977 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282331614 PPNXZWJEACFYGU-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE CN1CCC[C@@H]1CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337648 MKCWGPQFODVHQN-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCO)C2CCCC2)OC1(C)C 2282338206 PWADCCHAECGSBZ-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CN(C)CCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500374 XINYHWXMMYEWPL-UHFFFAOYSA-N 402.391 1.809 30 10 HDEE CS[C@H](CO)[C@@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282543564 LHPJRUPWUZMBOA-NXEZZACHSA-N 403.741 1.215 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]2CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282827783 DCBOHSBZGZNUQI-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CN1CCC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282883374 ZSLOQWUVIDLEJF-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H](NS(=O)(=O)C1CC2(C1)OCCO2)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2295336912 CMOAUCZYEWPKAN-AWEZNQCLSA-N 423.340 1.872 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccco1 2296611296 QLNTXUSIZMACOQ-GOSISDBHSA-N 414.462 1.764 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2342053984 MHVGCDLEDQKUDK-GOSISDBHSA-N 420.531 1.319 30 10 HDEE CN[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1(C)C 2361410776 USRQEZJUGWYNHP-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)N[C@@H](CCS)C(=O)O)CC2)C1 2365132152 UTDNLXUTOUXXMR-AWEZNQCLSA-N 401.529 1.207 30 10 HDEE CC(C)(C#C[C@@H](NN)c1c(F)cccc1I)S(C)(=O)=O 2365182817 DENDJSBTDVHSHR-LLVKDONJSA-N 410.252 1.761 30 10 HDEE CCN[C@H](C#Cc1ccnn1C)[C@H](O)c1ncc(I)s1 2367753935 MHIWBGHTAYNEIN-PWSUYJOCSA-N 402.261 1.544 30 10 HDEE COCC[C@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367784200 NZYDMNXBDITJMC-CRAIPNDOSA-N 400.541 1.558 30 10 HDEE C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367789220 QZIRDEONFBHPCM-QXSJWSMHSA-N 400.541 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367801663 VCWUYKRDEQXYRV-HOTGVXAUSA-N 401.525 1.592 30 10 HDEE CC(C)(C)OC(=O)NCC1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367804689 VVJLAHKKBXMXBA-OAHLLOKOSA-N 400.541 1.606 30 10 HDEE C#Cc1cccc(-n2c(=O)c3cc4c(=O)n(-c5cccc(C#C)c5)c(=O)c4cc3c2=O)c1 844884 ZPDACVXNIKVKKO-UHFFFAOYSA-N 416.392 1.853 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 111191453 AJEWBBPONKSLGI-VQIMIIECSA-N 420.531 1.490 30 10 HDEE C[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 247985586 YYHNRALKFPWLKV-LHUKNYEISA-N 420.381 1.760 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 439298312 AWICUARAHWPKHB-XJNFMUPTSA-N 401.419 1.914 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 460793904 MPSGYXARJQBNDV-IKGGRYGDSA-N 407.515 1.310 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2cccnc2C#N)CC1 477065711 INXCZMMKSOWITL-UHFFFAOYSA-N 407.474 1.677 30 10 HDEE COC(=O)c1ccccc1CCN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 480512163 NDRLCNWUERUFAG-UHFFFAOYSA-N 413.499 1.894 30 10 HDEE CC[C@H](NS(=O)(=O)Cc1ccc(C#N)cc1F)c1cccc(S(N)(=O)=O)c1 481051852 CGPBOBRRMXBWQJ-KRWDZBQOSA-N 411.480 1.915 30 10 HDEE C=CCNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 492876671 CBEPPCYJYFIMCF-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C(=O)CC#N)CC1 503608938 IVLLLERHNMEVKD-UHFFFAOYSA-N 418.519 1.368 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1 503625845 DZVNVOYSEDHVTH-UHFFFAOYSA-N 413.503 1.311 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1C[C@@H]1CCCO1 514916955 CAQSRWUOIGGIFT-KRWDZBQOSA-N 411.527 1.263 30 10 HDEE N#Cc1nnc2ccccc2c1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 524843229 ZOKZHUFMFKJOGW-UHFFFAOYSA-N 424.442 1.921 30 10 HDEE C=CCNC(=O)CN1CCN(CCOc2cc(F)cc(Br)c2)CC1 527075335 IAULLKULINMEAJ-UHFFFAOYSA-N 400.292 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3OC)n2CC)CC1 549351702 QYPSYUWEMGDJNO-UHFFFAOYSA-N 414.510 1.310 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H]3CCOC3)CC2)n1 550072894 RCXZUOYRSRMWAE-SJORKVTESA-N 409.494 1.412 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 555240269 GJFMPFIVZIPIAJ-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCOC1 559214067 BUFCJDZMDVEQQX-HUUCEWRRSA-N 403.508 1.981 30 10 HDEE COc1cccc([C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)c1 568689423 QQRIIAHBZNJXLF-LJQANCHMSA-N 415.471 1.445 30 10 HDEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)CC1(C#N)CCC1 575027712 IGZAFZOLFXRSCQ-AWEZNQCLSA-N 404.492 1.706 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1CCc1cccnc1 590053827 GLKPBJVYYYJNDE-UHFFFAOYSA-N 422.535 1.876 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C 610798360 VDSNWYCGZYTMDE-ZDUSSCGKSA-N 401.444 1.959 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCc3ccc(C#N)cc3F)no2)cn1 611562456 LFWOCFJVDHMLAE-INIZCTEOSA-N 411.397 1.764 30 10 HDEE N#Cc1ccc(C(F)(F)F)nc1N1CCN(c2ccccc2S(N)(=O)=O)CC1 615498600 QNWZKKCRCORRBZ-UHFFFAOYSA-N 411.409 1.946 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619751155 QLNYXMQUYJAMQA-GDBMZVCRSA-N 400.526 1.371 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1sccc1C#CCO 703985497 VZBDGNFIJZBEOR-UHFFFAOYSA-N 418.496 1.198 30 10 HDEE CC(C)[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)C1CCCCC1 732155719 DCAPNVGIQHPBGH-HVESIFNPSA-N 411.524 1.401 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)s1 732647368 GZOLXWAKLXXXHX-RDJZCZTQSA-N 422.576 1.656 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccccc2OCCN2CCOCC2)CCN1C1CC1 732673867 AFFWOZLBVZISLK-FQEVSTJZSA-N 413.522 1.279 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)N(C)c2ccccc2)sc(=Cc2ccoc2)c1=O 732798043 WSMKXKVOORWPRB-UHFFFAOYSA-N 423.494 1.705 30 10 HDEE CC(C)COc1ccccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737305285 GLFJLTYCQJQGHT-ISLYRVAYSA-N 400.435 1.303 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](c2ccc(F)cc2)O1 741733564 WZHLBWDJRMCKFH-CXAGYDPISA-N 417.462 1.853 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 747736709 QXVNMXIAFVIOML-UHFFFAOYSA-N 402.394 1.582 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1 751655274 CXYCZKDZNOYYKI-WBVHZDCISA-N 404.536 1.783 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 757314209 NPUTUSHDUSJSTI-HZMBPMFUSA-N 415.924 1.964 30 10 HDEE CC(=O)Nc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(C(F)(F)F)c1 760572128 DJAHARFLIAWPDZ-BMRADRMJSA-N 410.352 1.920 30 10 HDEE CC(=NNc1nccc(N2CCOCC2)n1)c1ccc(N2CCCS2(=O)=O)cc1 762603174 LJCNMKBJLLKTCS-UHFFFAOYSA-N 416.507 1.689 30 10 HDEE COc1ccccc1NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 767635137 GJSAGLALTKSWBS-ZDUSSCGKSA-N 417.443 1.416 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C1CC1 768048961 KGBKWTVQPRRBHX-OAHLLOKOSA-N 424.326 1.797 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C(C)(C)N1C(=O)c2ccccc2C1=O 770871055 LPISLNJMEYYUHV-UHFFFAOYSA-N 411.439 1.746 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)ccc1Cl 771794872 SJIJTFRBMYXMFE-UHFFFAOYSA-N 420.878 1.938 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)cc3c2OCC3)c(=O)n1C[C@H]1CCCO1 782918957 JUIZKZDFANZHNR-MRXNPFEDSA-N 413.886 1.704 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2CC(=O)N(Cc3ccccc3C#N)C2=O)n1 788365537 IKMRBOAKXRWIPK-UHFFFAOYSA-N 420.473 1.258 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cccc(N3CCCC3=O)c2)n1 789326546 UPRXZEFOEGYGIE-UHFFFAOYSA-N 409.490 1.730 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CC[C@H](Oc4ccc(C#N)cn4)C3)C2=O)C(C)(C)O1 793588771 DQQUYKQKKQVMRC-BTYIYWSLSA-N 413.478 1.632 30 10 HDEE Cn1nncc1-c1csc(=NC2CC2)n1N=Cc1c(Br)cnn1C 794837411 FSUJJOWZGZOFQT-UHFFFAOYSA-N 407.301 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)N1CCN(c2ncccc2C#N)CC1 794898284 YMELHAIZXIEZDS-KRWDZBQOSA-N 415.494 1.628 30 10 HDEE C#CCN(C(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 795466293 AMKFYPVAUWKEDW-KRWDZBQOSA-N 403.479 1.563 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 798081053 DNOQTHVPHXELGX-MJBXVCDLSA-N 407.492 1.352 30 10 HDEE COc1cc(Br)c(C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798741562 SZRUDBRNVUCLCP-VIFPVBQESA-N 423.223 1.917 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798743159 ZOUQSODWRWMCMB-OLZOCXBDSA-N 401.423 1.539 30 10 HDEE CCOC(=O)C1=C(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)NC(=O)N[C@@H]1C 803922032 LKBKSVFOKZYSMR-LLVKDONJSA-N 401.394 1.791 30 10 HDEE CCS(=O)(=O)c1cccc(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1 810518240 UBJDHRXZSQWWQK-UHFFFAOYSA-N 406.485 1.541 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccccc1S(C)(=O)=O 810942253 BDJMQTWMDNSWKC-CYBMUJFWSA-N 422.484 1.372 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1O 812183670 GTFSWOFDJJNWML-QGZVFWFLSA-N 421.523 1.529 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)cc1 812751774 JPTDDRFAAGDVCH-SFHVURJKSA-N 403.435 1.553 30 10 HDEE C[C@H](OC(=O)CC1(C#N)CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 815412279 XAMHDNKNUYTUBO-AWEZNQCLSA-N 421.475 1.272 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)C#Cc3ccc4c(c3)OCO4)CCO2)C1 817525402 KRBLKKNUUJTBHA-UHFFFAOYSA-N 400.431 1.615 30 10 HDEE COc1ccc(CNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N 1119339225 UDDGSFDASAZYSC-MRXNPFEDSA-N 416.478 1.699 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)CC2)cc1 1132097890 AKRNZQQNEKGDPD-UHFFFAOYSA-N 403.442 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)CC#Cc2ccccc2)C1 1133629749 CJAXUMZFKTWUIS-GOSISDBHSA-N 420.531 1.969 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cnn3c2N[C@@H](C2CC2)C[C@H]3C(F)F)CC1 1138971861 DUARNBHTCGBTDH-CVEARBPZSA-N 405.449 1.885 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(C)(=O)=O)c2)c1 1140789614 BSCUGZZJSLWBFA-UHFFFAOYSA-N 408.501 1.484 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCN(O)C2=O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1141464149 YUQPRXLHUOAIEK-AWEZNQCLSA-N 422.486 1.269 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccc(C)o1)N1CCCC1)c1cc[nH]n1 1143106317 KWQWNFIDNFJCMB-MRXNPFEDSA-N 417.466 1.548 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 1143719781 GKBNLPHYWVUGSW-SFHVURJKSA-N 411.487 1.093 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C 1152041401 JOGOKLJWBAOHHM-UHFFFAOYSA-N 400.501 1.417 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(CCC#N)CC2)ccc1Br 1152067689 BGHRRWKJMQHFII-UHFFFAOYSA-N 400.298 1.524 30 10 HDEE C#C[C@H](C)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1155140694 WPJISBXFRRNYDX-NSHDSACASA-N 412.284 1.887 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)CC1 1157009933 UXZDTRTYCUYJBI-UHFFFAOYSA-N 405.539 1.562 30 10 HDEE C#CC[C@@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1160145954 KDDQSGQMCHKEHJ-WFASDCNBSA-N 409.280 1.417 30 10 HDEE COc1ccccc1N(CCC(N)=O)C(=O)Cn1cc(C#N)c2ccccc2c1=O 1166549472 AWLFEZIRCQFBQK-UHFFFAOYSA-N 404.426 1.790 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1-c1cccc(F)c1 1166713244 BFJXFCCCMZVSPI-UHFFFAOYSA-N 424.432 1.612 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)cn1 1192327382 DAEMMPZRYKDMDM-UHFFFAOYSA-N 400.382 1.287 30 10 HDEE C#CCN(C(=O)NCCC1(CNC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1252671346 QBVQZVSTYUQNSO-OAHLLOKOSA-N 413.540 1.513 30 10 HDEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 1275991144 GOORHOOHZAYDDT-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1286312002 PQOTYQWNVJEHJU-UHFFFAOYSA-N 400.527 1.811 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1286386481 ALNLCFCEELSKRW-QGZVFWFLSA-N 417.535 1.503 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286387755 UXJPIXZIHXHSAZ-IAGOWNOFSA-N 419.551 1.725 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1 1286419131 NNGDDYHPDLCQOA-GDLZYMKVSA-N 410.503 1.299 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CCC)C1 1286495710 CRSFWBRRZKHAPU-LSDHHAIUSA-N 415.585 1.260 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CCOCC1 1286496371 RIVFFWLPNSSUJP-AWEZNQCLSA-N 415.585 1.118 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@H]1C 1286574134 UTCJZLWFAZGETM-VBKZILBWSA-N 403.483 1.948 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1286742055 GPQRWKGREDTJNC-UHFFFAOYSA-N 419.493 1.657 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287096300 CSCCSEJTUKAUBB-AWEZNQCLSA-N 412.494 1.868 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCN(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1290336681 ANQVNNMWGHSYLM-UHFFFAOYSA-N 401.360 1.614 30 10 HDEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc(C(N)=O)c1 1298191713 PDMKGTGOXCWINC-UHFFFAOYSA-N 400.460 1.551 30 10 HDEE C#CC[C@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1299178724 IUMRBCSOAJWDFD-ZANVPECISA-N 407.220 1.115 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1300307115 BORJDIIVXAMNJR-IAGOWNOFSA-N 407.584 1.903 30 10 HDEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1300351965 DCTHGIZAVMXIIV-KRWDZBQOSA-N 406.490 1.204 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1300501149 HCXPMLOLJVMHIN-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ncn(-c2ccccc2)n1 1300676331 MLLYFTXXSFWAQG-GOSISDBHSA-N 407.478 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC(C)(C)O)CC1 1300727380 YXTFKBJCGSVJGA-UHFFFAOYSA-N 413.497 1.745 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1301187556 XSZLZANCLMZZLZ-HNNXBMFYSA-N 411.572 1.887 30 10 HDEE C[C@@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)COc2ccccc2O1 1301395417 OLEQRSHGOXFNCD-HXUWFJFHSA-N 415.471 1.462 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(C)=O)CC1 1301413098 OTFVOLLIJWHLID-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)C1 1301543237 JMHIUBUNGVJFIT-QKLQHJQFSA-N 408.499 1.127 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1301952138 HIYQRLYYXTUVHV-QGZVFWFLSA-N 418.542 1.943 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)N(C)C 1302312391 UDOCKAJQJYMGFX-CAMMJAKZSA-N 417.558 1.129 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CCCCCC2)CC1 1302925198 YKEFJOWGORQEMI-UHFFFAOYSA-N 403.548 1.890 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)C1 1306652578 UGSHHCHVHNKCRP-OALUTQOASA-N 400.479 1.376 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)nc1I 1307360652 AOCJXJDBYZIYDV-UHFFFAOYSA-N 423.170 1.857 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 1308915625 YHDKHJWRADMEQM-UHFFFAOYSA-N 402.561 1.107 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccccc2C#N)CC1 1313387844 GZGNEDGSKXILEH-MRXNPFEDSA-N 408.462 1.908 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1314530031 GYOSBUPMRNCBIS-INIZCTEOSA-N 417.491 1.251 30 10 HDEE CS(=O)(=O)NCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C#N)CC1 1316362016 GMMCLFHBZYMQSB-UHFFFAOYSA-N 422.942 1.811 30 10 HDEE CCN(CCC#N)C(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 1316702406 BNTBBBGWZJFABD-QFCZJPRCSA-N 404.555 1.780 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1358937633 BVEWINXWYYZXCS-LBPRGKRZSA-N 411.915 1.668 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[S@](=O)CC 1358937712 FMPGVSQBQDXVQV-HHHXNRCGSA-N 407.927 1.700 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCN2CCCC2)CC1 1359031751 ODUHCSSGEMFGPW-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@H]2CO)CC1 1359158290 MFCZHJMLNAHVLF-IBGZPJMESA-N 416.570 1.907 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359238628 RVPDKOKACKMDCK-ZDUSSCGKSA-N 406.487 1.145 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@H](F)C1 1359282077 QJIBVKDRWFOYTC-XHSDSOJGSA-N 400.520 1.957 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(OC)c(O)c1 1359299829 NYGSSIZAHBABHI-MRXNPFEDSA-N 415.494 1.825 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1360478606 MBXXVBUIOADABM-CVTQAYBASA-N 420.477 1.529 30 10 HDEE C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1nccs1 1435399726 UURAPXQRYGKJEE-UHFFFAOYSA-N 406.489 1.388 30 10 HDEE COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1436522622 BSDAGYILQJAVII-UHFFFAOYSA-N 423.429 1.843 30 10 HDEE COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)CCC2 1453058666 LDGMXCPPOSKXJE-MODMUFLJSA-N 411.458 1.926 30 10 HDEE COc1ccnc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1F 1453590059 YELWVDNVTBHWNF-UHFFFAOYSA-N 406.439 1.364 30 10 HDEE C#CCSCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1455109204 PFISMMYLVZRSIH-ZNMIVQPWSA-N 409.508 1.394 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1455192095 QCYHAEBWQCWLDV-IAGOWNOFSA-N 407.555 1.589 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Cl)cc(Br)c3N)C[C@H]1CS(=O)(=O)C2 1456615100 YANHLBUQSYKFOT-RMLUDKJBSA-N 418.700 1.695 30 10 HDEE C[C@]1(C#N)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1460486785 HJTPGKWWHQZDPE-HXUWFJFHSA-N 404.536 1.713 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc3c(c2)C(F)(F)C(=O)N3CC(=O)OCC)CC1 1466643865 FUMOCFSZTNANGU-UHFFFAOYSA-N 421.400 1.680 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)c(=O)nc1O 1469215528 CRIJWJMXIHVYIC-UHFFFAOYSA-N 413.503 1.952 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 1470584393 PJICCANOFDCCNU-UHFFFAOYSA-N 402.462 1.916 30 10 HDEE COC(=O)c1cc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1470603275 MLQCJORRVNCWSX-GFCCVEGCSA-N 416.459 1.002 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)N1CCOCC1 1475851179 OJNCYIFASGLMLI-UHFFFAOYSA-N 401.463 1.968 30 10 HDEE Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)n1 1492759601 IFFQTVWKPUPIBA-HOCLYGCPSA-N 422.559 1.530 30 10 HDEE CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1500489846 BMRSMVYIOBORRT-MAUKXSAKSA-N 410.544 1.541 30 10 HDEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1503594174 BWPGMNNIHGJQCK-ZWKOTPCHSA-N 415.542 1.613 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1504953444 FAZVEFGXDDISRM-QFPXGYFVSA-N 416.482 1.295 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1505082302 OXJFHPIBJXSFRO-KUVFZILYSA-N 423.539 1.032 30 10 HDEE CS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1505148335 YKGMUPZVXXRVNP-MRXNPFEDSA-N 410.544 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1507645758 KCSADHTYKVCFML-QFIPXVFZSA-N 405.458 1.267 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC2CCOCC2)c1 1507652257 FHNATPGZBINIPX-LJQANCHMSA-N 421.501 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1507656284 USUBPONWATVNQV-INIZCTEOSA-N 424.436 1.057 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCSCC1 1507660655 CIIOEXGWXOAVNE-NRFANRHFSA-N 417.579 1.442 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCn1cc(Br)cn1 1507669350 KUFMTCVEYZFLCG-HNNXBMFYSA-N 417.311 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1507688919 FNRSSGXUFYIQHJ-HZPDHXFCSA-N 408.524 1.183 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1507744324 RCFCTKHNUCDTBO-SFHVURJKSA-N 418.611 1.901 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 1507792359 YILGJLVOZZTPBM-ZOBUZTSGSA-N 404.515 1.064 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1507832110 NTNQSCIMROVNKB-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCC2)C1 1508086509 MAGAWNHOZZEIRM-OAHLLOKOSA-N 402.499 1.071 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC2(CC1)COC(=O)N2 1508131656 OLCAJIOTXZLQSQ-CQSZACIVSA-N 411.528 1.471 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(-n2cncn2)nc1 1508420833 AEFWMRMSAFJNFK-INIZCTEOSA-N 414.477 1.884 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1516743347 BFACCPWGXOXXQK-QGZVFWFLSA-N 412.494 1.857 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1517518573 OAVYKGZUEUVLMA-MRXNPFEDSA-N 422.493 1.615 30 10 HDEE CO[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1517934139 VHKMGKLRHKQPCQ-VBKZILBWSA-N 419.432 1.681 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1519327972 RAGWPLMHNDRLOF-RDJZCZTQSA-N 403.487 1.097 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)c1 1527043988 JBZOKLQZAHQVCE-YADHBBJMSA-N 412.534 1.519 30 10 HDEE Cn1nc(I)cc1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1527485544 ZQZZXUNLKZAKEG-LLVKDONJSA-N 423.214 1.585 30 10 HDEE C#C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1529521139 BASWGDVXZMGSEB-INIZCTEOSA-N 419.275 1.980 30 10 HDEE CC(C)NC(=O)CSc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538760586 CTBCAKAOSMUVSJ-IFXJQAMLSA-N 421.544 1.314 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539022257 OCDOIOFELRDOPF-RDJZCZTQSA-N 402.524 1.003 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539066200 QUMPMPBSNXGCOI-RBUKOAKNSA-N 414.554 1.581 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539218654 BUUNVRDWLZIOGP-GOSISDBHSA-N 401.536 1.741 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1539491745 UMYJKFMIBLAHHC-OAHLLOKOSA-N 406.556 1.278 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539517691 QTQIYZGPHFYDQQ-MSOLQXFVSA-N 405.568 1.449 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCNC(=O)c2ccco2)CC1 1539828719 OCXTUHSLTXIACE-CQSZACIVSA-N 422.511 1.068 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCNS(C)(=O)=O 1540125914 CKZWCUMDHVRJDJ-GOSISDBHSA-N 419.551 1.914 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)N(C)C 1541840357 JIQOVCNRQRDNEZ-AYOQOUSVSA-N 407.522 1.824 30 10 HDEE CC(C)c1nnc(NC(=O)CCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)s1 1542234863 DQVSRPYFRKFDIS-UHFFFAOYSA-N 413.507 1.996 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(O)CCCC1(C)C 1543317643 ANQXTHFOKIRKKH-QVKFZJNVSA-N 410.526 1.905 30 10 HDEE Cc1cc(NC(=O)Cn2nc(Br)c(Br)n2)n(CCC#N)n1 1545029038 NICCAEJIGACIPQ-UHFFFAOYSA-N 417.065 1.860 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)c1 1546069491 NNULXRYGIZKKJY-WBVHZDCISA-N 421.471 1.050 30 10 HDEE CCN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1547570091 BSPOSDKKHIVXKE-UHFFFAOYSA-N 407.482 1.927 30 10 HDEE CCSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552594161 QSPUPVMASVCOOX-QGZVFWFLSA-N 417.583 1.834 30 10 HDEE Cc1ccc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1S(=O)(=O)NCC#N 1558094716 YEFXUADWZHIUOJ-UHFFFAOYSA-N 414.443 1.404 30 10 HDEE CNC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1cccc(COc2cccc(C#N)c2)c1 1558163618 FKPKUYJDQVNMGU-FQEVSTJZSA-N 403.442 1.947 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C#N)cs1 1558599211 KHHHXFOCOKDWON-CQSZACIVSA-N 417.516 1.928 30 10 HDEE CNS(=O)(=O)c1ccc(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 1559609539 GYVXWZGOULAFHQ-UHFFFAOYSA-N 401.492 1.654 30 10 HDEE CCNC(=O)COc1ccc(CNS(=O)(=O)c2ccccc2CC#N)cc1OC 1561134246 HVPYTETTZCPADQ-UHFFFAOYSA-N 417.487 1.755 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OCC)cc1F 1561155280 YWAOSSIEYGOHIX-CYBMUJFWSA-N 405.469 1.366 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1564644007 FXUFTIZVMKAOOY-KRWDZBQOSA-N 415.490 1.653 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ncnn1C 1568642610 ALFRLJPDNBROKL-JSGCOSHPSA-N 404.496 1.146 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC1 1568701723 VTHVTMQERGWVRE-LJQANCHMSA-N 402.926 1.198 30 10 HDEE CN1CCN(c2cc(C(=O)Nc3ccccc3-n3ncc(C#N)c3N)ccn2)CC1 1568798508 VVFVKCFWZNGWSH-UHFFFAOYSA-N 402.462 1.725 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1569342312 RELWXGOIXYYGLL-ZNMIVQPWSA-N 402.513 1.260 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CC[C@@H](O)C3)c2)cc1 1569513062 CGILMKSRGODQCD-GOSISDBHSA-N 414.487 1.042 30 10 HDEE C#CC[C@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1570221630 RGLVAVNQRPYFHE-AWEZNQCLSA-N 405.455 1.145 30 10 HDEE COC(=O)C(C)(C)n1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1585830068 NYBRYIVUNSYOFH-UHFFFAOYSA-N 408.411 1.480 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)C2)c1 1586074109 GRDZVLHCQCKBHI-UHFFFAOYSA-N 407.386 1.515 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)OCC 1587285385 CRYQDTWNYGRHDO-CQSZACIVSA-N 406.863 1.685 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1N1CCOCC1 1588006020 ANFFJWBZOATHAI-UHFFFAOYSA-N 422.533 1.663 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1588064530 JUEUAUVZXIWGOE-CQSZACIVSA-N 406.537 1.066 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H]1C 1588109761 MKHAQXDFCYMOQI-GOSISDBHSA-N 415.505 1.478 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1588121368 CPRLGGLVMRDYPH-CYBMUJFWSA-N 417.890 1.256 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)N(C)C 1588210161 CIFMXCNJZOQGRP-UHFFFAOYSA-N 419.938 1.953 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1589027398 NUQGFVWOELRNOV-UHFFFAOYSA-N 409.537 1.295 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1589042692 KVPRIKPTRUOQNT-MRXNPFEDSA-N 403.483 1.402 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)NC(C)C 1589514524 GZBIDKJLNIWQIB-CRAIPNDOSA-N 401.515 1.621 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1595523315 SVVIBDKFHHTYES-UHFFFAOYSA-N 418.461 1.861 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595551658 UEZWTNOCUAXISR-CALCHBBNSA-N 406.575 1.714 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)C1 1595790505 NCIKYSABFXCGKT-XSLAGTTESA-N 405.564 1.497 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCC(O)(CN4CCCCC4)CC3)cc2)c1N 1606951136 VNNFMHBUKHTKIK-UHFFFAOYSA-N 408.506 1.779 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1611302065 DQJYREYMFWJYKR-ZDUSSCGKSA-N 420.477 1.858 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)n1 1612493423 UXVCQXWOFFHPAM-MGPUTAFESA-N 414.489 1.496 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1615342781 JVLCHEAIDAZVCF-INIZCTEOSA-N 410.492 1.272 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CCOCC1 1618331137 RAAGXCSPJBZJNG-OXJNMPFZSA-N 421.856 1.791 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC[C@H]1OC 1618757734 GOOWFKZPQCZCOR-ZWKOTPCHSA-N 412.494 1.441 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)C[C@H]1O 1618884571 GYAJZFBJBLVFBH-IAGOWNOFSA-N 415.519 1.930 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@@H]2CCOC2)C1 1620347043 MIXXILGMVOCARS-KXBFYZLASA-N 401.446 1.620 30 10 HDEE C=CC[C@@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OCC 1624931665 FKFOFBUSYGCMGT-OAHLLOKOSA-N 419.503 1.959 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(OC(=O)N(C)C)CC2)s1 1625127472 IHYXWCIWNMBLNH-UHFFFAOYSA-N 415.537 1.444 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)CCc1c(C)nc(O)c(C#N)c1C)CCO2 1625877373 VIONFCZPTQLYJD-FAGJFJLWSA-N 401.463 1.825 30 10 HDEE N#CCN1CCN(C(=O)CSCC(=O)Nc2cccc(Br)c2)CC1 1629536850 GCHCPKJUCMGBCK-UHFFFAOYSA-N 411.325 1.789 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1629572921 DRZCMQCYINQCBB-IHRRRGAJSA-N 422.931 1.437 30 10 HDEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)n1ncc(C#N)c1N 1630732799 LVHXRMMLHIVNEL-UHFFFAOYSA-N 423.454 1.785 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)Cn1nc(Br)c(Br)n1 1631156268 QWWYXHMFBYZURW-UHFFFAOYSA-N 422.125 1.497 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1[C@@H]2Cc3cc(Br)ccc3[C@H]21 1632880732 YITUTOFWJOEYEF-GFGJIJNHSA-N 416.275 1.977 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CCOCC2)c1 1633173556 XRQBGIDVBZUYLI-UHFFFAOYSA-N 405.414 1.574 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@](CO)(C(F)(F)F)C3)C2=O)cc1 1634206159 HKGLCSLCWYEDCB-RDTXWAMCSA-N 424.379 1.537 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 1635396664 FRUMLIUQHFMVST-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1636785700 FXBRPQIRWMHMJM-XFQAVAEZSA-N 416.478 1.693 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1636838469 AXXWFNHONIYLPH-KGLIPLIRSA-N 411.271 1.941 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](Cc2nccs2)C1 1637205138 GMXAZGFOEALUIR-DZGCQCFKSA-N 404.517 1.773 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CC1 1638678814 SQGBMGSFQNFWGR-UHFFFAOYSA-N 401.488 1.586 30 10 HDEE NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1639123248 XISTZJHKRBPCBF-ROUUACIJSA-N 401.463 1.236 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)cc1 1641604843 DMFUZGAWTCRUOJ-UHFFFAOYSA-N 410.455 1.052 30 10 HDEE Cn1cc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nn1 1648646529 XVVSBBAZOIQEIK-OAHLLOKOSA-N 402.480 1.027 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(C#N)cc2Cl)c1=O 1652134068 LLNZJYCBVNJMAR-UHFFFAOYSA-N 400.822 1.797 30 10 HDEE Cc1cccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)c2C)c1 1652166633 GOZGVSWVNKHKJJ-UHFFFAOYSA-N 420.469 1.781 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCO1 1652916270 JRPYEDADIRPZCV-HNNXBMFYSA-N 416.297 1.259 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CCO2)cc1 1652920071 UPYUBQGWSPMMEB-RTBURBONSA-N 421.457 1.649 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1654975107 NNBDBFYRAIKQDG-DKICVRJWSA-N 421.519 1.141 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)ccc1C#N)C(=O)NCC(F)(F)F 1661524736 GPUDMYMDJFQATM-ZETCQYMHSA-N 414.203 1.666 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1F 1663613531 GFCHTGMRGRGAKE-UHFFFAOYSA-N 418.450 1.319 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)nn1 1664694313 JCSYBADQMACAPN-UHFFFAOYSA-N 412.497 1.202 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F)C(=O)OCC 1664946858 DHRAJTIBXXDZOZ-NXEZZACHSA-N 409.810 1.864 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC 1670893643 KGPNEYGUIIHTQD-JTQLQIEISA-N 415.411 1.766 30 10 HDEE C=CC[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 1674098311 AMSCCEHFUZYTJC-SFHVURJKSA-N 421.567 1.531 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1N1CCN(C)CC1 1678832889 SFYOYQVDBFMQBC-UHFFFAOYSA-N 400.523 1.925 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1681433075 BVVUBOWTNAISPF-DSEONOSFSA-N 406.483 1.873 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(N4CC[C@@H](O)C4)CC3)C2=O)cc1 1681514799 COQFWJKIZXJEHA-WOJBJXKFSA-N 411.506 1.294 30 10 HDEE CN(C)CCC[C@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1682226655 OGTHFIJXWSIAIP-VQTJNVASSA-N 413.522 1.411 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)C1 1684082410 ASRRLVBWRDNRKY-JKSUJKDBSA-N 408.424 1.903 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ncccc2C#N)CC1 1684560185 CLWYEYBJMUVDHV-OAHLLOKOSA-N 409.450 1.303 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CC[C@](F)(C#N)C3)c3nccn32)C1 1685466870 YBIWFKOJRTVOCL-UGSOOPFHSA-N 404.446 1.921 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)[C@H](C#N)C1 1686055188 GZIANVJHMILNSK-ZIAGYGMSSA-N 414.528 1.260 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1689827750 IYPUBTMLDNZBIQ-QWHCGFSZSA-N 410.569 1.608 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1cccs1 1689947626 JJQUZIPMRPNMCD-FQEVSTJZSA-N 417.535 1.880 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1690075486 MDLLSXLCRRKRMB-UHFFFAOYSA-N 422.537 1.438 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C)n2)CC1 1690146487 OXRHNAXQTSMXAK-IBGZPJMESA-N 422.533 1.694 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690179448 ZQMRRCULZNCDEF-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H](O)C2)CC1 1690397011 SKEHVGDCOBSJKH-UAGQMJEPSA-N 411.572 1.842 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1690511965 HTBPHYQASXVABA-RYRKJORJSA-N 407.515 1.262 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1COCCO1 1698060750 GLAYVNIZCXMVOL-OAHLLOKOSA-N 421.448 1.929 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1698483414 BRAVOOUVAJTBKG-HNAYVOBHSA-N 406.462 1.211 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCOCCCO)cc1 1698489431 VGBGYKINIUIMPY-UHFFFAOYSA-N 403.508 1.681 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N1CCOCC1 1705489213 LMFRFMWKQPNAPX-MRXNPFEDSA-N 406.490 1.754 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1705550391 YBAJILDNBWLHIO-CYBMUJFWSA-N 412.475 1.098 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1705560158 DWPIGLSRAGFHTE-LPHOPBHVSA-N 408.524 1.131 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566879 RGHWGRIONANRPV-ZWKOTPCHSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705571096 WPQNEDLSUIJTLW-MDYRTPRTSA-N 408.568 1.654 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705571439 ZINISXLOLQUWJW-KRWDZBQOSA-N 420.510 1.671 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)CN1CCOCC1 1705578040 CUSBJLGETQHTTC-LJQANCHMSA-N 402.502 1.858 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1705639744 VPUVMZGPQGXJOV-UXHICEINSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2CCCO[C@@H](C)C2)CC1 1705643190 VREULMXGWHFYLT-IBGZPJMESA-N 404.559 1.071 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1705893818 HILGODOWZSYKIU-VJANTYMQSA-N 405.543 1.735 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H]1c1nncn1C 1705898217 FNJJBTSNPMNGPY-KRWDZBQOSA-N 422.493 1.726 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(C)C)C1 1705922113 GMEXOGOFONWYEO-BRWVUGGUSA-N 414.510 1.906 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cnn(C)c2)C1 1705929346 OYOSKLFOALZJFB-SFHVURJKSA-N 413.526 1.548 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705942839 GRIQJIWCHUHYRM-UHFFFAOYSA-N 409.519 1.916 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1706074985 HTLYHFCSTMKZGV-KBPBESRZSA-N 422.486 1.389 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2COCCO2)CCOC1 1706669822 VFFMMNNBQAIZMC-PXNSSMCTSA-N 405.499 1.474 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(CCOC)c1 1722275996 CEXFOEAMRKIUCL-OXJNMPFZSA-N 402.499 1.279 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1722296922 VYTVMMJTTFPUIU-KXTXEXGHSA-N 400.570 1.185 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722299609 JDYGNNOMIZXGRY-KUHUBIRLSA-N 406.483 1.016 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1722359063 IEYOQIBZYOSRBF-INIZCTEOSA-N 418.519 1.351 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1722367955 YMAXAJUQRYOKBN-AEFFLSMTSA-N 402.520 1.989 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722368736 VNVRVSLXGUMUFF-OALUTQOASA-N 421.611 1.979 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1722391229 YFHOMVRTBANQLS-CQSZACIVSA-N 420.564 1.473 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1722411439 GNFUXCYQLWYQJC-HNNXBMFYSA-N 412.581 1.552 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722602859 CRSBSOLXSFIMLE-OAGGEKHMSA-N 423.539 1.471 30 10 HDEE C=CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722649782 CSHGTWYRKQNSQP-OAHLLOKOSA-N 404.540 1.720 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C2CC2)C(=O)C1 1722696247 GTFLTRFRUYJTBK-UHFFFAOYSA-N 414.897 1.712 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1722740068 JXLZRYFQYJQGSO-MRXNPFEDSA-N 418.567 1.740 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1723549481 LVSYPFVJZZPDLB-APWZRJJASA-N 406.506 1.807 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)F)CCN1C1CC1 1731188445 FSTDTUQMXIETPQ-GDBMZVCRSA-N 410.469 1.630 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H]1OC 1740634781 IHEFDOCWHGJNRG-UYAOXDASSA-N 416.489 1.809 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1740662339 QYOYKTUAUJVOHN-ZDUSSCGKSA-N 409.487 1.544 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCOCC1 1740685402 MYKXIWCZYXNCCX-RBUKOAKNSA-N 405.543 1.226 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1740732176 UHMZKGDGFQJMPJ-VQIMIIECSA-N 419.507 1.244 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740771332 BDWBJTMHXUGEND-UHFFFAOYSA-N 421.505 1.939 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1740890755 IDMUGBFMJGOEFO-KXBFYZLASA-N 407.540 1.808 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1740956239 MYHDFNRVDQMPKT-MRXNPFEDSA-N 422.493 1.793 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC(C)(C)OC[C@@H]1C 1740962336 ZLDIWMMPSIFWBP-ZDUSSCGKSA-N 404.540 1.940 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746684472 NIAWZCDYJHEPOV-PMACEKPBSA-N 414.466 1.145 30 10 HDEE CCOc1cc(C)nc(N2CCN(c3nnc(C)n3Cc3ccc(C#N)o3)CC2)n1 1746763444 GNEYUEOZGGQFIW-UHFFFAOYSA-N 408.466 1.923 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)no1 1748665307 PCWRXJHGMZXAMO-AWEZNQCLSA-N 403.446 1.995 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748824265 MNXWOYYNWSMHIV-ZWKOTPCHSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCOC[C@H]1C 1748835861 KUVFPGXLDOVAKQ-GOSISDBHSA-N 423.517 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCN(CC)CC1 1748890932 WVTBYNXWEWXONQ-OAQYLSRUSA-N 412.582 1.663 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1749031906 NAEHBMZAHVUYGJ-UHFFFAOYSA-N 411.535 1.701 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749082526 ANSLCSXTUKZOAE-LBPRGKRZSA-N 411.304 1.090 30 10 HDEE C=C(C)Cn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OCC)CCOC1 1749207720 QMALYURKNLJPNK-HXUWFJFHSA-N 418.498 1.027 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749272102 IQUPOPPPMZEJSC-UHFFFAOYSA-N 415.885 1.537 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1749464832 GBIIPOPYFQLKFV-MRVPVSSYSA-N 402.265 1.498 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1749667060 RVLLBEUVPINLID-ROUUACIJSA-N 415.586 1.453 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCOC2)CCO1 1750388213 LYOUWEKCPXNZKE-BFUOFWGJSA-N 405.405 1.027 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCOC1 1751089282 DYCYQNLPTXJUSE-DLBZAZTESA-N 404.515 1.696 30 10 HDEE CC[C@@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1752636011 XDDYLCNTUGLXBZ-NHWLHPCLSA-N 402.499 1.933 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cccnc1OC 1760175464 KFDHSIRUQNHCSF-UHFFFAOYSA-N 418.505 1.973 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1760181623 YMRQUZRVKAFNEO-SFHVURJKSA-N 410.503 1.447 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1760200089 TXFMFTLUBBDMGI-VZCXRCSSSA-N 418.432 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(=O)NC)c1 1760206711 JKZDZZKUHMNUCH-UHFFFAOYSA-N 415.501 1.620 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1760228240 YYYRKZSENAAIJW-FQEVSTJZSA-N 401.515 1.540 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)CC1 1760259741 PMSRMWKBQRNQHO-KRWDZBQOSA-N 423.583 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CC2)CC1 1760265344 YKEDQNWQNBACIJ-UHFFFAOYSA-N 400.527 1.572 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1 1760314856 SZSONEHDOWRVSB-CQSZACIVSA-N 400.321 1.807 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCSC1 1760503158 BCSAUMXUUDSJEH-IBGZPJMESA-N 421.523 1.513 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](Oc2ccccc2)C1 1760521081 JEFWHHVSBHPSIV-MSOLQXFVSA-N 424.505 1.579 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(N(CC)CC)CC1 1760524277 UIYBRLOKYRTALC-QGZVFWFLSA-N 404.559 1.785 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](OC)C1 1760526368 MBTULOWYVNQALO-AWEZNQCLSA-N 418.523 1.187 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)cs1 1762296818 ORKNFADLTWRLLC-DJIMGWMZSA-N 402.524 1.914 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1768543352 DDDDCVYOEXHYDZ-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)C1 1770728561 QENQWPGXWYDPAW-TYNCELHUSA-N 419.429 1.046 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1772564666 QVVIWHNRNSJAPJ-AWEZNQCLSA-N 400.570 1.715 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772790485 PDLFNYVRVJQADQ-HXUWFJFHSA-N 411.345 1.347 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OCc1cc(Br)c2c(c1)CCO2 1851214771 DDQHAXUNNGLIIP-UHFFFAOYSA-N 420.219 1.570 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)NC1=O 1851239251 RREPYFXPVHHMDG-ZDUSSCGKSA-N 416.865 1.052 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)N(Cc1ccccc1)c1cccc(F)c1C#N 1851514745 UPFJAPGZJCMRHL-IBGZPJMESA-N 415.446 1.834 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)[C@H]1CCN(C)C1=O 1851732590 XDNOOAAUJHHYKN-PXNSSMCTSA-N 408.502 1.804 30 10 HDEE COc1ccc(N(C(=O)[C@@H]2CN3CCN2CC3)c2nccc(N(C)C)c2C#N)cc1 1851819786 ZPADZIWURDULJN-FQEVSTJZSA-N 406.490 1.692 30 10 HDEE N#CC1CCN(CCNC(=O)c2ccc(N3C(=O)c4ccccc4C3=O)nc2)CC1 1852103975 DELDZYBQHFKGTF-UHFFFAOYSA-N 403.442 1.848 30 10 HDEE N#CCCn1nc2c(c1NC(=O)C1CN(C(=O)c3ccc4c(c3)OCO4)C1)CCC2 1852806726 IGCZIKNWURFOIQ-UHFFFAOYSA-N 407.430 1.725 30 10 HDEE N#Cc1ccccc1N1CCC(C(=O)N2CCN(c3ncc(F)cn3)C(=O)C2)CC1 1853064821 JRFSYKALJWHQCO-UHFFFAOYSA-N 408.437 1.579 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)c(=O)n1 1854249005 OTUIYIKQXHWKHW-UHFFFAOYSA-N 411.437 1.132 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3C2)C(=O)C12CCCC2 1854400903 FCTZEVXQFJQXAJ-SFHVURJKSA-N 415.515 1.628 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1 1855184347 HMWYJTRGCOQFNF-HXUWFJFHSA-N 404.474 1.231 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)nn1C 1855446719 AMVVNNNLOOQGCM-HXUWFJFHSA-N 407.474 1.885 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnc3ccccn3c2=O)CCN1Cc1ccc(C#N)cc1 1855579329 KIQIDFIQKRWSHB-HNNXBMFYSA-N 401.426 1.439 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(Cc3noc(C)n3)c3ccccc32)CC1=O 1855715071 BSRDEOYOWZYLNU-HNNXBMFYSA-N 409.446 1.682 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@@H]2CCCO2)CC1 1855858390 XOGVWDAEPRQARY-INIZCTEOSA-N 417.487 1.596 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nc(-c2cccnc2)no1 1855934355 WHUAJSMMZCMLNT-AWEZNQCLSA-N 402.414 1.876 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CC[C@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1856007916 WMWWUPXBMIFSTA-MAUKXSAKSA-N 403.504 1.507 30 10 HDEE COc1ccc2nc(N3CC(C(=O)N4CCN(CCC#N)[C@@H](C)C4=O)C3)sc2c1 1856189948 ZUVGZJHHJINOLQ-ZDUSSCGKSA-N 413.503 1.714 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCOC4)C(=O)C3)C2)s1 1856326191 DCMIRUYODYPVJA-CVEARBPZSA-N 402.520 1.291 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCC4(CC3)C(F)(F)C43CC3)C2=O)CC1=O 1856773603 VYBJAOSNFHJISB-LSDHHAIUSA-N 407.461 1.660 30 10 HDEE C=CCN(Cc1ccc(S(=O)(=O)NC(=S)N(C)C)cc1)[C@@H]1CCN(C)C1=O 1856896781 XLSVFEGWMPTOPI-MRXNPFEDSA-N 410.565 1.030 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@H]1CCN(C)C1=O 1857069032 UEUANOJOJRFPAC-HIFRSBDPSA-N 423.464 1.455 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc3ccccn3n2)C1)[C@@H]1CCN(C)C1=O 1857077234 WTPUXUDGRRZBSG-VQIMIIECSA-N 409.490 1.432 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccccc2OC)cc1 1858637784 AVCWXSRFUHXFPI-UHFFFAOYSA-N 403.460 1.799 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H]1CSCN1C(=O)c1ccc(NS(C)(=O)=O)cc1 1862135759 CXNDBAOCOXXVEC-INIZCTEOSA-N 409.533 1.774 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 1866634566 ZWTOUJVNGVTLKP-CQSZACIVSA-N 414.487 1.874 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2cccs2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870004816 MQADAPIOQOJNQD-ZDUSSCGKSA-N 407.521 1.552 30 10 HDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873561249 VXGDABSLUHULIE-UHFFFAOYSA-N 413.522 1.671 30 10 HDEE C=CCn1c(C(=O)NCCCOC(C)C)cc2c(N3CCN(C)CC3)ncnc21 1873593256 LCLHOHQNVBAVNR-UHFFFAOYSA-N 400.527 1.914 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(OC)c([N+](=O)[O-])c2)cc2c(=O)n(C)c(=O)n(C)c21 1873598167 WGDUBRRDJCTBGH-UHFFFAOYSA-N 413.390 1.394 30 10 HDEE COc1ccccc1C1(C(=O)N(C)C2CN(c3nccnc3C#N)C2)CCOCC1 1891116465 IYAKOHLPOSAICP-UHFFFAOYSA-N 407.474 1.752 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1895310659 USHYFEDUSAGSSV-RYUDHWBXSA-N 413.334 1.887 30 10 HDEE C#CCn1ncc(NCC2(O)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2043996205 XFZLTQGVAVBOMZ-UHFFFAOYSA-N 413.272 1.033 30 10 HDEE N#Cc1cncc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1 2118165729 FDVYGYIRFURMMK-MSOLQXFVSA-N 416.459 1.315 30 10 HDEE N#CC1CN(S(=O)(=O)Nc2ccc(I)cc2C(=O)O)C1 2164589705 QTTORDGBPXZBBY-UHFFFAOYSA-N 407.189 1.101 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174782381 PVRPHNCERUJQHQ-AREMUKBSSA-N 420.557 1.431 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784065 JWWRCOQTFJNTFY-PMPSAXMXSA-N 400.545 1.949 30 10 HDEE CC(C)CNS(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206347114 OUXZESIJPYFGJF-UHFFFAOYSA-N 400.375 1.896 30 10 HDEE CC1(C)OB(c2csnc2CN2CCC[C@H](CS(C)(=O)=O)C2)OC1(C)C 2235507896 XZXFKIWDZUEQLT-ZDUSSCGKSA-N 400.375 1.699 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CN(Cc2ccccc2)C1 2247910794 PMZDHLWNTLWSOE-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2258157863 GPOVKFFFZMNQQV-KRWDZBQOSA-N 402.428 1.789 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC[S@](C)=O 2267704026 GYJRELDGGKBMSO-DEOSSOPVSA-N 407.388 1.403 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@](C)(O)C3)cc2Cl)OC1(C)C 2267707291 OCONJFNUXOFORQ-OAHLLOKOSA-N 407.750 1.846 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2267727046 SFFZCOBXRRTZFS-JNDILOIQSA-N 405.372 1.189 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCS(=O)(=O)CCO2)s1 2281933580 AYMYOMYKWJGGMY-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE CN(C[C@@H]1COCCN1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939338 XBVIDSMJJZIZQZ-LLVKDONJSA-N 400.737 1.761 30 10 HDEE C#C[C@]1(O)CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282305188 VHHTWQDFLSAUFE-INIZCTEOSA-N 417.745 1.459 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282317922 XBCSIXMDABUHFK-LBPRGKRZSA-N 403.331 1.743 30 10 HDEE CN1CCCC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332854 HEOGZRIOKUYSLL-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CS[C@H]1CCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282342036 BDQXIDPNZJOQMM-STQMWFEESA-N 401.363 1.282 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505032 XPVYOTJTWBSODZ-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE C[C@H]1COCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282507229 DNSRZFNHZLOGPG-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)s2)OC1(C)C 2282622074 ANZSEKOXCNFQBR-CYBMUJFWSA-N 417.383 1.607 30 10 HDEE CNCCC[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840344 MTMNDFOTUQZQNU-LBPRGKRZSA-N 403.379 1.250 30 10 HDEE CN(Cc1ccns1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845193 ONVQQTHDTRJMHX-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CC(C)[C@@H](CN)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282845285 PWLUSDUPGXTORE-CQSZACIVSA-N 402.753 1.901 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCS[C@@H]3CC[C@@H]32)OC1(C)C 2282847095 UBQRKWNVJRJIDM-QWHCGFSZSA-N 416.399 1.852 30 10 HDEE CN([C@H]1CCC[C@@H]1CN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854139 NUUORCVZAXJFPB-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE C[C@H](N)[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282870455 SGIVLSXKWWTSGT-QWHCGFSZSA-N 400.375 1.546 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCC[C@H]2CCCN2)OC1(C)C 2282882067 GYYPVOQFPCDOGB-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CCC(=O)O 2284402760 PCMMQRSWVGZCPN-SNVBAGLBSA-N 403.331 1.887 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284403149 QSOHMJVYGYXCBM-JQWIXIFHSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@]2(C)CC(=O)O)OC1(C)C 2284415482 ONMQORPPKDSETK-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE COC[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)CC2(C#N)CCC2)C1 2289500544 RCBWLERUODKSBJ-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cc1OC 2330772843 ALIFBUIDTKDMAW-UHFFFAOYSA-N 421.479 1.469 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338636973 CLTKYUBNOQASRJ-KGLIPLIRSA-N 400.522 1.452 30 10 HDEE CS(=O)(=O)C1(C#CC2(OCCC(=O)O)CN(C(=O)OCc3ccccc3)C2)CC1 2342045881 VVNGLPOIXNPIQN-UHFFFAOYSA-N 421.471 1.450 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CCC[C@@H]2CS(N)(=O)=O)OC1(C)C 2364899490 FFPDQTCUSOOEHL-GFCCVEGCSA-N 401.725 1.292 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2365203993 LIKKROHTYWDYQZ-VCBZYWHSSA-N 400.541 1.427 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2365208157 BMJXZGBPNYTKOV-GJZGRUSLSA-N 404.573 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365214329 ZJQRTNZCSMTCQK-LSDHHAIUSA-N 402.557 1.945 30 10 HDEE CC(C)[C@H](CO)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2367029363 CECNZJGPUOHVGP-ZDUSSCGKSA-N 404.363 1.221 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793091 UAJAMRBELFTUHW-KGLIPLIRSA-N 414.549 1.911 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@H]([C@H](O)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367801628 UWVHFFXTNHZVMZ-HASVCBABSA-N 405.463 1.867 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367803287 JNMSRCWCROPIRA-BZUAXINKSA-N 401.525 1.638 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2367808976 IORHUTJHMCSPKG-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NC1CCC(O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367832257 YTUANSXLLIXMIU-XAUUPUKJSA-N 400.541 1.483 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C#N)c1CC 302643420 ITITWYUYXWJYCZ-UHFFFAOYSA-N 400.508 1.447 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1 438997294 IYDIIBKTBMGRKK-GOSISDBHSA-N 405.520 1.218 30 10 HDEE N#Cc1c2c(cn(CC(=O)N3CCC(NC(=O)c4ccccc4)CC3)c1=O)CCC2 447416411 AYTOWLJVNVYBNO-UHFFFAOYSA-N 404.470 1.630 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 460384435 CHXYWDMCWXEESU-GOSISDBHSA-N 419.551 1.994 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)c1 461621108 SPSDTWNMHMTJLW-UHFFFAOYSA-N 416.459 1.299 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1C(=O)CSc2ccccc21 465121178 MASAKDHXOJTZQM-AWEZNQCLSA-N 408.487 1.524 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)ccn1 474288258 YGPNXZSEMCOUNE-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1 478177185 NQFQFMWCMOVZPV-UHFFFAOYSA-N 417.462 1.994 30 10 HDEE CCN(CC)CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481245249 GBXYRPZXDGEEIR-MRXNPFEDSA-N 406.552 1.805 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](NC(=O)CC)C2)c(C#N)cn1CCOC 481462152 GTBLXMRYFZBZKK-OAHLLOKOSA-N 419.482 1.705 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1C#N 489575658 WRXQWWMSDLMRRV-MRXNPFEDSA-N 400.460 1.220 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)C2)nc1 490065768 TZVDJMOATKCYTQ-HNNXBMFYSA-N 419.484 1.125 30 10 HDEE N#Cc1ccnc(C(=O)NC[C@H](O)COc2ccc(I)cc2)c1 495257833 WTTGORLZEKADGC-ZDUSSCGKSA-N 423.210 1.728 30 10 HDEE Cn1cnc2c1c(=O)n(CCCN1CC=C(c3ccc(C#N)cc3)CC1)c(=O)n2C 502529823 PNLSRWNXKJONOW-UHFFFAOYSA-N 404.474 1.485 30 10 HDEE N#Cc1c(CCCNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)nn(-c2ccccc2)c1N 503309378 INJMJNKLWQDXGP-ZJCOVKJDSA-N 413.481 1.702 30 10 HDEE Cc1csc([C@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 553420999 PPEAGGZBDMZCEV-BBRMVZONSA-N 411.487 1.418 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N[C@H]3CCN(S(=O)(=O)c4ccccc4)C3)n2)c1 561727279 SQIAKAPIYBKPIO-KRWDZBQOSA-N 421.482 1.937 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)cc2C(=O)O)cc1C#N 562373390 CGFYDHBMGUDCAU-UHFFFAOYSA-N 415.475 1.513 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@H]1CCCO1 584152443 QCWWTPCZLQSWSI-SNVBAGLBSA-N 409.920 1.053 30 10 HDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCCc1ccc(F)cc1 585673648 NDKUVQKMVDZAEL-OLQQUCHKSA-N 410.405 1.558 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 588122165 MLIMNLVJSAVZAE-KRWDZBQOSA-N 420.539 1.035 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c(F)c1 610426309 TVAUBBDUWGHVDY-IBGZPJMESA-N 421.432 1.863 30 10 HDEE CS(=O)(=O)CCc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 610965202 JZBLWZWBUJFGCH-UHFFFAOYSA-N 403.435 1.539 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 611244099 ALNOXQIAZQHMAD-LKYPVIHCSA-N 403.571 1.720 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc3cnccc23)c1=O 611917477 AFJHFIAUNMQRDO-UHFFFAOYSA-N 404.495 1.673 30 10 HDEE CC(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 619849197 CZCGIKQAZIDDPF-YJBOKZPZSA-N 410.544 1.397 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N[C@@H](C)CC)cc2C1=O 623389058 LAONOJLOBWTKCV-LRDDRELGSA-N 401.488 1.898 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCN3CCOC)ccc2c1=O 727859914 IQKVRXYWSHFFIX-OAHLLOKOSA-N 402.520 1.712 30 10 HDEE C#CCN(C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)[C@@H]1CCS(=O)(=O)C1 729331477 NQSJPHNEYUDTSO-MRXNPFEDSA-N 401.488 1.435 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCSCC(=O)OC)C1=O 729818693 DFOGXNDBVGDTEX-CYBMUJFWSA-N 413.496 1.800 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)c(F)c1 729884488 LBNJYNMGDFBRMO-UHFFFAOYSA-N 423.448 1.654 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(N3CCNC3=O)ccc2Cl)CCN1C1CC1 732894974 SAYSUXQVCKDRQD-AWEZNQCLSA-N 416.869 1.007 30 10 HDEE COC(=O)[C@@H](OC(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(C#N)cc1 740191878 CGLBRNANCDQMDR-KRWDZBQOSA-N 414.395 1.160 30 10 HDEE CC(C)[C@@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 740505353 AYLZNVZVWVRGCZ-AEWZPABSSA-N 408.524 1.846 30 10 HDEE N#C[C@H](C(=O)CN1CCC[C@H](C(=O)N2CCCC2)C1)c1nc(O)c2ccccc2n1 741788848 IGSIAQKRZNWLCR-DOTOQJQBSA-N 407.474 1.846 30 10 HDEE NC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1Cl 746236313 FUIAOXVEFPFFIT-BQOWYSNXSA-N 404.854 1.017 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 748414837 WQSBNIFXHAKMIZ-UHFFFAOYSA-N 400.479 1.082 30 10 HDEE C#CCN(CC#C)CC(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCCC)c1N 752302483 MJCBLBOGSWTCTF-UHFFFAOYSA-N 421.501 1.433 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)c1 755529835 TZHYUUIDQJLRNG-OAHLLOKOSA-N 419.453 1.885 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(C)c1 758645112 PFLNHCFXDVKNHM-LSDHHAIUSA-N 423.491 1.819 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CCCCC1 760387673 FJMSZKMVTTZEGV-GASCZTMLSA-N 409.508 1.472 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(N2CCCC2=O)ccc1Cl 760541222 AHRPXROFSYGJPT-HTXNQAPBSA-N 402.838 1.723 30 10 HDEE COc1c(F)cc(CC(=O)OCCCOc2cccc(C#N)c2)cc1S(N)(=O)=O 763934676 OVQDNYVEGGBGCL-UHFFFAOYSA-N 422.434 1.908 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C=C)c2)c1=O 772332518 SRCSBFYIWSBZRZ-UHFFFAOYSA-N 416.462 1.235 30 10 HDEE C#CCN(C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 774262417 HMTOQFHCPFFJRC-HOCLYGCPSA-N 402.476 1.672 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 782414013 IGZSJIUXZWXRRA-XOBRGWDASA-N 411.499 1.999 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cccc3cnccc23)c1=O 782924477 GTZKKIQGPUANLB-UHFFFAOYSA-N 402.479 1.120 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)n1 790105896 GWWPAWHUKRYHIG-UHFFFAOYSA-N 408.418 1.899 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@](N)(c2ccccc2OC)C(F)(F)F)n1 791012615 GGOLQVLRUKYHMD-IBGZPJMESA-N 424.423 1.916 30 10 HDEE CCN1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 792252839 DIJBUCGKVCWTDG-FXBPSFAMSA-N 421.523 1.933 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)[C@@H]1c1cncn1C 796088720 XTBLTEFCOVGVJS-VMRPVKRXSA-N 415.494 1.461 30 10 HDEE C[C@@H]1OCC[C@H]1N(CCO)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 797615700 GPNYIHBXWAOFLH-SCBBOUAQSA-N 424.523 1.503 30 10 HDEE Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)cc1 798352393 QRVBFQVIOGRUQG-NCPSJORJSA-N 410.459 1.872 30 10 HDEE C#CCCn1c(-c2cnnn2C)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191673 DOZKDHQLLZJETI-UHFFFAOYSA-N 402.505 1.117 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 812090345 IKRJUGRAPUJIBR-LIRRHRJNSA-N 424.477 1.675 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@H]2CC[C@@H](C#N)C2)CC1 815064096 ANZVDOKUHRTFEH-CVEARBPZSA-N 411.549 1.397 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1133220591 URFOJIYUNYJWFI-HNAYVOBHSA-N 415.556 1.730 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCc3nn[nH]n3)cc2)cc1 1136819159 WEIXFMAWVLMRHE-UHFFFAOYSA-N 414.447 1.495 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C#Cc2cccs2)CC1 1141342802 UNGVCZZDJKSZJH-UHFFFAOYSA-N 419.484 1.849 30 10 HDEE C=CCN(C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1142059123 ASKPOERBMIBBIH-ZIAGYGMSSA-N 406.570 1.835 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3ccccc3OC)nc2O)CC1 1144026750 KHGMYFKVDKUOTE-UHFFFAOYSA-N 422.485 1.360 30 10 HDEE C#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1160147807 YHNXDROMQQZNNI-SFHVURJKSA-N 406.548 1.885 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 1166311392 AHUWCVLFGCFGRE-UONOGXRCSA-N 412.471 1.594 30 10 HDEE CN(CCNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)CCS(C)(=O)=O 1176795961 AJLPASVFZVTJFE-UHFFFAOYSA-N 410.515 1.006 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC2(C(N)=O)CN(C(=O)OC(C)(C)C)C2)cc1 1189185002 AMNYVHMTIBGQEY-UHFFFAOYSA-N 409.508 1.558 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCC(n3cnc(C(N)=O)c3N)CC2)cc1C 1194313208 GUGOISSDFRDBCH-UHFFFAOYSA-N 423.521 1.765 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1195977832 ISOYKSNAVFKELO-OAHLLOKOSA-N 420.535 1.782 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1196573173 FVFNVIQZRUDRCC-CQSZACIVSA-N 402.449 1.971 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cnn2cc(Br)cnc12 1211683358 ABSIBEOGFGMSDW-GXFFZTMASA-N 401.286 1.751 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC2(CCOCC2)CO1 1248167580 FBMYHLLNIDXTIB-IRXDYDNUSA-N 414.510 1.544 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H](c3ccccc3)C2)CC1 1248485440 IUCRQWSPAAVIIG-OALUTQOASA-N 404.536 1.508 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)n1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 1276963405 SQMUDCZSZIGBKI-NHAJQZOWSA-N 419.235 1.205 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1286291750 YDQFFWDXQRWEMS-OAHLLOKOSA-N 422.489 1.983 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1286350083 URUIKTRQYYWTON-MRXNPFEDSA-N 406.508 1.840 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286358048 GINKOISLDVEMDS-KZNAEPCWSA-N 403.527 1.911 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1286411184 ZPKNKXAEISNKJE-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286635335 PSHQLAHBAWWFGN-RHSMWYFYSA-N 418.947 1.695 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286671241 PYXWQTNGNQOWIK-GJZGRUSLSA-N 424.571 1.302 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1286700793 MUKLHCVIWHLMAN-QGZVFWFLSA-N 424.505 1.863 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286705206 UBSXYZWTUXTYEC-QRWLVFNGSA-N 402.499 1.910 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCCN(c2nccs2)CC1 1286793198 VHHVXNDCOAHALA-UHFFFAOYSA-N 405.528 1.290 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1288539075 RARWJABUTOPVGJ-LDJQZATESA-N 424.505 1.855 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3cc(Br)cnc3n2)C1=O 1288992639 FSNVZUKOMRRCDC-UHFFFAOYSA-N 418.207 1.308 30 10 HDEE C=CCCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1291949265 GOIHYSZQCCJLKO-ZBRFXRBCSA-N 403.523 1.794 30 10 HDEE CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1295094310 ZUWNDMQLYZIMIU-NIQRWSHPSA-N 418.498 1.301 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1300300672 JKCIGWBQUFAMHR-ROUUACIJSA-N 418.490 1.904 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC(F)(F)CO1 1300441637 VECUOAQAWJGYPG-AWEZNQCLSA-N 410.446 1.842 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C(C)(C)C 1300522392 GDQYUUDVEPXTGH-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(N)=O)cc2)CC1 1300703579 LNBRYHIAFLXRFL-UHFFFAOYSA-N 415.501 1.166 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)C(C)C)CC1 1300733042 QZKDXMWPDBBTLE-GOSISDBHSA-N 402.543 1.436 30 10 HDEE N#Cc1cn(CCNC(=O)COc2ccc(Oc3ccccn3)cc2)c(=O)nc1O 1301210834 FLCDYINCVRZVIU-UHFFFAOYSA-N 407.386 1.203 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1301503206 VWPWYUDZZBAPFW-GOSISDBHSA-N 404.559 1.327 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](COC)C1 1301510383 WKBVSBGMVIMUMA-KRWDZBQOSA-N 401.515 1.305 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)c1cncn1C 1301546940 MGFCUHYIDSTGNQ-CYBMUJFWSA-N 423.267 1.682 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)CC)C1 1301553099 DOFSLSSGPDQJGA-HNNXBMFYSA-N 408.528 1.004 30 10 HDEE Cc1nccn1CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1304703545 GUOLTMCXDIIRPX-AWEZNQCLSA-N 420.543 1.224 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 1308150006 USQYHULBLPUZRP-VKGTZQKMSA-N 408.568 1.779 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 1309662051 PFOMDGCSZHWYDY-YJYMSZOUSA-N 407.492 1.727 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCCCCO)cc1 1316534057 NBYCFOKCVVQRLC-PKOBYXMFSA-N 424.505 1.606 30 10 HDEE COC(=O)CC1(NCc2nnc(-c3cccc(C#N)c3)o2)CCS(=O)(=O)CC1 1320590140 SJCXDMAMRYCXII-UHFFFAOYSA-N 404.448 1.208 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cccc(N4CCOCC4)n3)CC2=O)cc1 1324151499 ZLTBJGCTYKBBQE-QGZVFWFLSA-N 405.458 1.459 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1336434356 RRERIZPYKOZPDE-INIZCTEOSA-N 408.462 1.634 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1358873381 IIZXPFXNSCBDAR-HOTGVXAUSA-N 401.515 1.826 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1ccnc1C 1358880850 UPKIJGLDUQAWDJ-INIZCTEOSA-N 416.493 1.974 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1358966675 UAZCTGNVXPDTBV-QZTJIDSGSA-N 422.551 1.053 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C 1358994008 BQFPVCMBGIPARB-QGZVFWFLSA-N 405.568 1.231 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(NC(=O)OC)c2)CC1 1359036353 USFINZKFNSWGMZ-SFHVURJKSA-N 424.505 1.764 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359057311 WTPLRCIOXZDRDW-GVDBMIGSSA-N 423.608 1.220 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359131943 JMPSEDOWOIOIJY-MRXNPFEDSA-N 418.542 1.517 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359142940 QYXLMJQVJLLLLU-AWEZNQCLSA-N 423.905 1.341 30 10 HDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N[C@@](C)(C#N)CN(C)C)C2=O 1436171848 AEBKQLRXQRWVKH-YFYMUDDPSA-N 405.543 1.863 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)c1 1439707824 IUVHHWPJAKNTNC-FQEVSTJZSA-N 419.503 1.431 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1443207282 PKLNVADHDZNJOG-UHFFFAOYSA-N 408.867 1.805 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)c(=O)nc1O 1444022130 AFQVDPSOAGWWCM-IBGZPJMESA-N 400.398 1.603 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H](C)Cc2ccc(C#N)cc2)c1 1444420693 YZTXLSXCVGCVSC-MRXNPFEDSA-N 415.515 1.978 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)Cn1nc(Br)c(Br)n1 1448580448 YTMWHHWGJIILLD-PSASIEDQSA-N 408.094 1.901 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1N 1449227453 JCZFSJSALWWJDY-HUUCEWRRSA-N 406.446 1.830 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c[nH]nc2Br)s1 1452432323 JGFLPASFYLFZFT-UHFFFAOYSA-N 405.299 1.879 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](c3cc(C)c(Cl)cc3O)C2)C1=O 1453942520 HREZVXZLULWQSS-GFCCVEGCSA-N 405.838 1.647 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)cc1F 1462878679 WEYYXCRBPCDPJZ-LLVKDONJSA-N 424.313 1.708 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnn(C)c1I)c1ccccc1 1463947036 SIYZOIDABWSBRU-LLVKDONJSA-N 401.229 1.678 30 10 HDEE C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1464155250 KMESIXXNHSNMFH-LBPRGKRZSA-N 412.817 1.739 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1468882890 UPFNWCLCNGXYHA-KRWDZBQOSA-N 400.479 1.613 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H](C)COC 1473637632 JKZHSPABKPANGJ-SFHVURJKSA-N 409.552 1.184 30 10 HDEE CC[C@](C)(O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1494772234 JTSKOEMPKJGZRE-SYNHAJSKSA-N 406.531 1.340 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1502337174 CNAQKIVTHLIBFI-MSOLQXFVSA-N 418.590 1.428 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCCN1CCOCC1 1503476282 HYSDRTUTXCMJAN-UHFFFAOYSA-N 420.521 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1507636446 GLSQLZJSKZPORS-UHFFFAOYSA-N 418.545 1.997 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1507636800 DOJJSNWWPREVJZ-BZUAXINKSA-N 410.565 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cnn(-c2ccccc2)c1 1507656870 LJBHFNPBBQPHQQ-UHFFFAOYSA-N 413.485 1.707 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCOC2CCOCC2)CC1 1507724774 JKIAJVSXBWTTFR-UHFFFAOYSA-N 412.538 1.625 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC(C)(C)C)CC1 1507731527 KTKHNCYFJFBMLO-KRWDZBQOSA-N 402.543 1.580 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOCC1 1507797587 DQTDXPHGXOTCGE-PKOBYXMFSA-N 415.542 1.428 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507812923 ZUQBVWTYGMQBED-XKGZKEIXSA-N 424.567 1.811 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1507836909 DHYPLWYLTXPZRA-MAUKXSAKSA-N 413.544 1.098 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@]2(CCOC2)C1 1508087561 TYLSMYFIISWBLM-JOCHJYFZSA-N 411.506 1.797 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1508426356 FNOABPMAAGJUSL-MRXNPFEDSA-N 419.493 1.625 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1509805852 NJOFRTHGMCJZLY-UXHICEINSA-N 422.505 1.629 30 10 HDEE C[C@@H]1COCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1512545720 HXZABMVLGKARDR-MVZUJROASA-N 423.477 1.015 30 10 HDEE CCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514267364 MDIZBQWLTOVVSX-MMOPVJDHSA-N 402.543 1.900 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC(F)F)CCN1C1CC1 1521137988 WRAKYPQEOAMBCC-QGZVFWFLSA-N 417.464 1.722 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1524834676 GMNNMVVHOXLLLX-HOCLYGCPSA-N 400.522 1.814 30 10 HDEE C#C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1528087853 HPEWGCJERGVHCC-CHWSQXEVSA-N 404.224 1.253 30 10 HDEE COc1cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c(F)cc1C#N 1530181136 BIRIWSWIKJDQAH-UHFFFAOYSA-N 422.438 1.318 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@]23COCCN2C(=O)COC3)CCCN1C(=O)OC(C)(C)C 1532280204 FQZWFMDSRPMKKM-RTWAWAEBSA-N 423.510 1.076 30 10 HDEE C=CC[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1533762072 GGSFXTNDJMBYSC-INIZCTEOSA-N 423.510 1.717 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1536179295 GRTJJCJHYQFCBF-NHYWBVRUSA-N 415.334 1.938 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](C#N)C1CCCC1 1536416047 OLIXMDDYMUAPGS-KRWDZBQOSA-N 407.492 1.528 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1539203521 RKVCKYRWSBSEQW-OAHLLOKOSA-N 404.540 1.293 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1539267261 YEFMVRUOIKSAIL-SFHVURJKSA-N 414.535 1.157 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1 1539323710 JTCGUMAJFOMJQE-GOSISDBHSA-N 412.515 1.700 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCc2nccs2)CC1 1539490641 XZQKJYKMXZHIFX-UHFFFAOYSA-N 416.551 1.870 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539524886 PNMXKTJQCXUIRA-HNNXBMFYSA-N 403.533 1.938 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539978247 ZGCSQRRAWNKHBF-LJQANCHMSA-N 415.586 1.697 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1541724726 WMGNXYXZLUGDCH-RTWAWAEBSA-N 416.526 1.537 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1541801909 GXIDUWIUMGACTL-QAPCUYQASA-N 423.521 1.912 30 10 HDEE Cc1noc(C)c1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1543376315 BYASATRXZUACBR-IBGZPJMESA-N 401.446 1.804 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1544229716 CGSVRPOIMXGRFF-HOTGVXAUSA-N 405.499 1.891 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1544636675 PROBQAGQMXXYEA-DOTOQJQBSA-N 415.494 1.414 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCN1CCCO 1546528816 DDRUIBQPDMPEDE-IBGZPJMESA-N 424.553 1.281 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)C1 1555983856 FJNAQBJHEDCDGX-HXUWFJFHSA-N 419.505 1.068 30 10 HDEE Cc1c(Br)cc(I)cc1C(=O)N[C@@H](C#N)CO 1556608081 ZAHCLEQMBGIJSD-QMMMGPOBSA-N 409.021 1.976 30 10 HDEE C[C@@H](CC(=O)NCc1ccc(C#N)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1557028057 HJYPTNRJCADAQH-LBPRGKRZSA-N 400.435 1.831 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4coc(C#N)c4)C3)[C@@H]2C1 1558066486 TXFREYIPHCINCM-BMFZPTHFSA-N 416.434 1.806 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)c(C#N)cc1[N+](=O)[O-] 1559068391 ZZIZVSQFHOAUFL-GJZGRUSLSA-N 423.495 1.251 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)SCCN1CCN(c2cccc(OC)c2)CC1 1559465018 SVRPTFITDVUJKD-INIZCTEOSA-N 406.552 1.951 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)CCS(N)(=O)=O)n(Cc2ccc(F)cc2)c1C 1560116450 ARAYZUHUKRZINV-UHFFFAOYSA-N 421.498 1.323 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H]2c2ccc(Br)cn2)CCO1 1561631473 FJIUQFAOMXVFIA-GXTWGEPZSA-N 401.286 1.450 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)cc1 1562016827 TWBQBCPSUNGYIT-UHFFFAOYSA-N 405.520 1.594 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3cc(F)cc(S(N)(=O)=O)c3)CC2)cn1 1562340308 FAXDQYCSOHYFHV-UHFFFAOYSA-N 404.427 1.094 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1566544173 QKUPKGWBPOXKMD-QWHCGFSZSA-N 405.417 1.963 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Nc3ncccn3)C2)s1 1570693029 ILNLBOFLALVSCG-ZDUSSCGKSA-N 407.521 1.258 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC2(OC)CCC2)C(=O)OCC)cc1 1583646167 QWYKMGRIYJSOCO-QGZVFWFLSA-N 422.503 1.219 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc(OC)c1OC 1584303168 WVBLXBMSGRUSDH-GFCCVEGCSA-N 404.810 1.854 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1587857409 YVGHRDODQGPZBM-IPMKNSEASA-N 417.554 1.953 30 10 HDEE C#CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893584 FZQUYWFEMPJOBM-FXAWDEMLSA-N 424.567 1.746 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CC)C1 1589568905 NBDAFGDXQOMDHC-QKLQHJQFSA-N 403.527 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595785175 SLQLKXZBADRNEC-WMZOPIPTSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C)C1 1595811935 HHRDERXKCMBJMG-MRXNPFEDSA-N 420.535 1.703 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1598208460 LBGRMLIJDOEMAX-AWEZNQCLSA-N 408.476 1.226 30 10 HDEE C#CCN(CC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1)C(=O)OC(C)(C)C 1610990566 PSAPMBSPALOQPI-OAQYLSRUSA-N 414.462 1.228 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1611304189 XJIAVPMFGQWRIT-LPHOPBHVSA-N 423.521 1.852 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1611767034 GFUSFMBEDNABLI-HRAATJIYSA-N 407.478 1.506 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC(=O)NCc1ccco1 1612611383 OUAZKTXHHBIVIL-LJQANCHMSA-N 406.446 1.946 30 10 HDEE CCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1Cc1ccc(C#N)o1 1614013158 ISPXOZZBYKXFFR-UHFFFAOYSA-N 411.510 1.488 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1617225649 FGMBKACYSYANMD-CYBMUJFWSA-N 416.297 1.240 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCc4ccnc(O)c43)C2=O)cc1 1617656141 FOZOEUJIMSPFCF-MRXNPFEDSA-N 405.414 1.843 30 10 HDEE N#Cc1ccc(C2CCN(CC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)nc1 1620449833 BMRRUVBBFWIRJK-UHFFFAOYSA-N 407.474 1.313 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)/C=C/c3ccc4c(c3)NC(=O)CO4)C2=O)cc1 1626695344 ULLZLTPGWPGJGV-JHTBKMLMSA-N 416.437 1.820 30 10 HDEE COc1ccc([C@H](CO)N(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1631750728 MFUJGJXMCJHWFI-SFHVURJKSA-N 417.487 1.611 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)o1)S(C)(=O)=O 1635887713 GQLZDQUZXGWHQW-UHFFFAOYSA-N 421.454 1.322 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CSC(c2ccccc2O)=N1 1636270361 DXLOWRCUIIXPRL-XJKSGUPXSA-N 408.487 1.653 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CS(C)(=O)=O)CC2)s1 1636309665 CLFBVROXWRQXHX-UHFFFAOYSA-N 420.578 1.038 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCN(O)C1=O 1636352461 IJFAEOJTVIMFNK-HUUCEWRRSA-N 403.435 1.975 30 10 HDEE COc1cc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)[nH]c2c(OC)c1OC 1636512936 WLYMASLFQOMREG-HXPMCKFVSA-N 419.459 1.204 30 10 HDEE COc1ccccc1-c1nnc(CC(=O)N2CCN(c3cnccc3C#N)CC2)o1 1637909141 NXEZKUJCXOJFDL-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1640817367 UOMYSLCIMIDQRE-HXUWFJFHSA-N 402.499 1.242 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1640995147 IDYUMVCBSKUAHN-QGZVFWFLSA-N 410.565 1.720 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)cc2)CC1 1641171750 UTHSELSDIMBVQX-UHFFFAOYSA-N 408.502 1.818 30 10 HDEE C=CCN(C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)[C@H](C)COC 1641334436 ITCYFTSTWXAENO-RXQFDZFGSA-N 401.507 1.950 30 10 HDEE C#C[C@@H](CO)NC(=O)CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 1641575137 XBXXLBXPXUHWLM-SFHVURJKSA-N 400.500 1.999 30 10 HDEE Cc1cc(NC(=O)CN2CCN(c3ncc(Br)cc3C#N)CC2)no1 1642018819 VYEQXUHGILFEFK-UHFFFAOYSA-N 405.256 1.773 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCCN(CC2CC2)C1 1642364455 XBDBIYSWLAEXTF-QGZVFWFLSA-N 418.563 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H](CN=c2nc[nH]cc2C#N)C(F)(F)F)CC1 1642614569 CNLVWOXNEVIFSC-ZDUSSCGKSA-N 400.405 1.666 30 10 HDEE Cn1cnnc1[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1643835075 PFVZSRQSIATLRZ-GFCCVEGCSA-N 415.295 1.902 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2cccc(F)c2)s1 1644976631 CXFZURODJCSAGV-GOSISDBHSA-N 412.508 1.918 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1645462659 BQURXGFNTCUIRO-MRXNPFEDSA-N 418.461 1.500 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1 1648718991 AGFBZYXNAAUXCV-XMSQKQJNSA-N 408.458 1.753 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)COC2)C(=O)OCC 1648779687 OVQSIZSFWBQCFX-HNNXBMFYSA-N 416.883 1.186 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C 1649011094 DIUVZJZONLABQX-QWHCGFSZSA-N 403.435 1.827 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1C 1651348515 PRDDIESGONCJAU-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(NC(=O)C(F)(F)F)c2)nn1 1656353704 XZJBNVQXBMSIOL-UHFFFAOYSA-N 403.386 1.834 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 1658952966 QEICUHJCXMPWTI-CQSZACIVSA-N 416.831 1.736 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1680776844 GNUZDVHGAUEMSB-ICSRJNTNSA-N 421.519 1.453 30 10 HDEE C#CCC1(NC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CCOCC1 1683580442 YSZHKLGNMXAHIE-INIZCTEOSA-N 405.470 1.611 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1683814991 RJHYSHTWOUIHPK-IAGOWNOFSA-N 409.556 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1689830864 CZGQICONSVVXOP-YWZLYKJASA-N 417.535 1.880 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC2)c1 1689870338 KTGLWGJNCXYDOG-WMZOPIPTSA-N 422.489 1.322 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689884137 KKXCNWDCXUNSCD-LJQANCHMSA-N 410.522 1.915 30 10 HDEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689895337 PZUSUKPAMHDWJL-LJQANCHMSA-N 420.517 1.128 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1690244327 WGBONSGDMUFPBN-NVXWUHKLSA-N 420.539 1.336 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690252460 DZNVUXJORJFIMV-QRFRQXIXSA-N 400.527 1.972 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690661962 MLPVLHSBXUUQSX-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1690983977 FJDXKFCDAMSICE-IBGZPJMESA-N 404.421 1.964 30 10 HDEE C[C@@H]1CCC[C@](Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)(N(C)C)C1 1693625720 FBFQDYAXUVONEW-WWMYMODYSA-N 410.526 1.974 30 10 HDEE CCOCc1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1696260701 UFJUTYNDDGTAMJ-YWMAMYRUSA-N 418.498 1.345 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ncccc1N(C)C)[C@H]1CCS(=O)(=O)C1 1705564718 CFVTYOMPMRLDKO-INIZCTEOSA-N 414.535 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(O)CCOCC1 1705572940 UJXOPGZVQRAUMD-UHFFFAOYSA-N 421.501 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)O)CC1 1705649142 LWFRIXXAEPJHHL-UHFFFAOYSA-N 411.506 1.690 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705831104 GOMRAHLCZLBXQB-GOSISDBHSA-N 411.510 1.413 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 1705901304 IGSMKHDSRQLGRE-CHWSQXEVSA-N 403.512 1.228 30 10 HDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1710793893 XBTKSAGCNGXJQR-SFHVURJKSA-N 409.494 1.847 30 10 HDEE CN(CCN1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1711221236 YBRCDOBGIYWJCF-GOSISDBHSA-N 400.483 1.801 30 10 HDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1CCN1CCCS1(=O)=O 1712453971 FDCFHDYTOKYQQS-UHFFFAOYSA-N 410.544 1.338 30 10 HDEE COCCn1cc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1712465817 BTYMCENEGYWXMR-FQEVSTJZSA-N 421.505 1.683 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1712884246 JCHGOLLLLUUKQK-RTBURBONSA-N 402.543 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1722285103 SXSQNXRPRUKQGN-AWEZNQCLSA-N 416.507 1.208 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCn2ccnn2)c1 1722307398 NESGGYSJYIRTKR-UHFFFAOYSA-N 418.505 1.969 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722316017 ZHBUZCWPLAYZFB-INIZCTEOSA-N 424.509 1.158 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722338144 DOXYUDJWFBCOLP-SFHVURJKSA-N 410.526 1.593 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1722360814 KBJRPTFSVNEENI-QZTJIDSGSA-N 417.535 1.782 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCC 1722375444 OPPQITHVHYIUDK-OAQYLSRUSA-N 414.531 1.973 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)CCOC)CC1 1722430167 ZKJMWYDXPRNJDK-UHFFFAOYSA-N 402.543 1.332 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1722493516 ZBHBHZHERXWEPH-KFWWJZLASA-N 413.544 1.095 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722494012 LMADESDCRVHUKP-KUDFPVQQSA-N 416.526 1.114 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1722507780 PWSHAINLUXAPBG-VYDXJSESSA-N 400.483 1.659 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722698480 ZGBJOSDTOCPLTM-UHFFFAOYSA-N 423.521 1.399 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722702133 DXNSPKANPAQGPM-JKSUJKDBSA-N 404.515 1.173 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc2[nH]ccc2c1 1723619688 ARUDUTIFIWETRA-QGZVFWFLSA-N 407.478 1.869 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C[C@H]1N1CCOCC1 1726670223 DEHZWCOAESVJTI-QFBILLFUSA-N 410.522 1.745 30 10 HDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1729163260 VWLBJIFHFXWUCS-UHFFFAOYSA-N 423.521 1.635 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CCC(=O)N2)CCO1 1731186645 REPHUXHKNNSKDW-HIFRSBDPSA-N 418.404 1.554 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1740565100 JONXBGCTLPGDCT-UHFFFAOYSA-N 412.538 1.813 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1740636472 ZWQGQBNWXWEPPD-UHFFFAOYSA-N 422.514 1.313 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1740668049 AOYBWHXSGIATDP-GOSISDBHSA-N 408.506 1.574 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(OC)CCCC2)CC1 1740704093 HOWDSBGOZSTFSJ-UHFFFAOYSA-N 423.521 1.660 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS2)CC1 1740710061 PVKJSEFGXOXCFN-IAGOWNOFSA-N 403.552 1.991 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1740952707 LOXZDGAFBSAFKS-UHFFFAOYSA-N 404.421 1.129 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CCOc1ccccc1F 1740959811 FJNNPGGBYUYVGG-HNNXBMFYSA-N 403.458 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 1740979583 ALIGMDPZLWTPBA-NQIIRXRSSA-N 402.470 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCC1 1740992504 RBFJYNCCLHKUJU-OAHLLOKOSA-N 416.569 1.017 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1740994849 VHHUTLBXQXMKTN-MRXNPFEDSA-N 423.583 1.525 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1741517363 AZSBKDXRIOGTON-QGZVFWFLSA-N 419.555 1.728 30 10 HDEE C[C@](O)(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1741949973 AGKCEFMOVHCAAV-GCJKJVERSA-N 424.505 1.427 30 10 HDEE CC[C@H](C)c1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1743587435 JNZZDZBTFFFSOG-DXQAYGFFSA-N 412.498 1.651 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1745661682 KDHPEMVCXHQVIA-UHFFFAOYSA-N 409.494 1.400 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1748781031 UYLXONLRSQNFRL-UHFFFAOYSA-N 410.503 1.598 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)nn1C 1748790827 NFKQDIBBXLRBLR-UHFFFAOYSA-N 405.510 1.612 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748809191 KLDAVIPFGXOWEH-DOTOQJQBSA-N 418.519 1.615 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748818278 YPJGGTHGQMSNEO-OXQOHEQNSA-N 410.584 1.900 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)C1CC1 1748957199 YBCVUMKEIGXTRF-JOCHJYFZSA-N 412.490 1.963 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCCC2)CC1 1748994424 GQUPZMORCRQPBC-UHFFFAOYSA-N 410.570 1.381 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749456600 ISDYPBMSPQZLSD-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749459928 WDVSILQXNOYNRF-CABCVRRESA-N 405.455 1.107 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1750061163 MYOXINVQDLKJHI-NSHDSACASA-N 418.303 1.819 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)C(C)(C)C)n1 1751836890 ACFDDOBCJBPTNV-CQSZACIVSA-N 421.571 1.949 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1760171108 VOUDFECGVVLPRZ-UHFFFAOYSA-N 421.505 1.517 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1760227878 OVDXZVNTGZVVDI-DENIHFKCSA-N 419.570 1.747 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1760230558 JHEKJMXUWZEIIL-UHFFFAOYSA-N 424.530 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@@H]2OC)CC1 1760273470 VYLPHJBLKGTXTB-MSOLQXFVSA-N 403.527 1.596 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1760340604 GIQRIYUWQBKSCC-FQEVSTJZSA-N 418.567 1.739 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760401082 ZMYOOMICXXSXBK-HXUWFJFHSA-N 417.535 1.601 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760529878 IAZSJFAQQAGOON-HUUCEWRRSA-N 418.523 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](COc2ccccc2)C1 1760550762 IPPILLYXWLZCKZ-SFHVURJKSA-N 406.508 1.472 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760566500 VMOPEFBFCWTGCQ-SJORKVTESA-N 404.540 1.803 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2nnc3n2CCC3)CCOC1 1760689027 RNFKCEUNLOWUGS-QRWLVFNGSA-N 414.514 1.501 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1766877645 BLFPZEDCXGCWQE-KRWDZBQOSA-N 412.494 1.680 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1766983551 JHHWYQYGKJVTFA-ZBBYCGENSA-N 423.477 1.015 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2ccc[nH]2)nnc1N1CCC(C#N)CC1 1768426918 BOZKXDPMPKMVPU-IBGZPJMESA-N 424.553 1.956 30 10 HDEE COCCOCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1770168667 AMBUUQKVUSJYMS-UHFFFAOYSA-N 413.526 1.832 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1772844827 AMMDDCYXKMHQLO-RXVVDRJESA-N 419.526 1.864 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1848491351 MJQZNBRIJJTDIJ-HXUWFJFHSA-N 407.426 1.713 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)NC[C@H]2CCS(=O)(=O)C2)CC1 1850358351 GGULVBVJDHFLKD-OAHLLOKOSA-N 412.515 1.874 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC3(CC2)N=C(c2ccc(OC)c(F)c2)NO3)CC1=O 1850570407 GOEGYDXOMOGPOI-OAHLLOKOSA-N 416.453 1.469 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(CCC(N)=O)cc3)CC2)nc1 1851772665 YVZMYOGVVBSPLV-UHFFFAOYSA-N 407.474 1.350 30 10 HDEE Cn1ccsc1=NC(=O)[C@H]1C[C@H]1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852049849 QEOJYYFBJVNSDQ-DLBZAZTESA-N 401.536 1.377 30 10 HDEE Cc1nn(-c2ccccc2)c(NC(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)c1C#N 1852099633 JYXQUTOHOOGVTB-GOSISDBHSA-N 415.519 1.746 30 10 HDEE Cn1cc(C#CCNC(=O)c2cc3n(n2)CCN(Cc2ccccc2Cl)C3=O)cn1 1853168747 DCJSXCQEHLYUEG-UHFFFAOYSA-N 422.876 1.708 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cc3noc4ccccc34)C(=O)C2)cc1 1853876675 CFVWVCNAUWBRHV-UHFFFAOYSA-N 402.410 1.796 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)C2CC3(CC(=O)C3)C2)C1=O 1854224793 NJBPIWPVCLPSSY-QZTJIDSGSA-N 401.507 1.372 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3cc(F)ccc3F)C2)cc1 1854401300 MFQJNGKOSORQDT-OAHLLOKOSA-N 408.382 1.927 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)CSc3cccc4cccnc34)C(=O)C2)C1 1855010442 PHIWVYLUHWQNTE-GOSISDBHSA-N 423.542 1.986 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855033957 REAKHWHHEGYWMN-OAHLLOKOSA-N 415.519 1.736 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1855079872 BAKVIGPIGXGBMU-GDBMZVCRSA-N 402.520 1.362 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@@H](C)n3nnc4ccccc4c3=O)C2=O)CC1 1855162247 CXQSLPBMMRYQLT-VQIMIIECSA-N 409.490 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)C1 1855868343 ZCNICNFSKXGWTG-SJORKVTESA-N 404.511 1.854 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1(C)C 1856371904 DNQCIIKQKWTOAK-INIZCTEOSA-N 423.510 1.614 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)[C@@H]4CCCOC4)C3=O)CC2)c1 1857015267 MHDYBFVFZINJMR-MOPGFXCFSA-N 412.490 1.598 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858298776 YUCXJZRPMVAFCV-CQSZACIVSA-N 411.443 1.333 30 10 HDEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783489 RYAAEVQBCBJHCR-WBVHZDCISA-N 403.552 1.303 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869933633 KXIAAVNIBWMDRN-KRWDZBQOSA-N 418.494 1.153 30 10 HDEE CCN(CC)c1nc(NC(=O)c2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870057821 BWOOEYMZASPOQH-OAHLLOKOSA-N 402.480 1.608 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc3ccccc23)[nH]1 1871728994 LJJQENQBAKXWNJ-UHFFFAOYSA-N 405.506 1.324 30 10 HDEE C=CCn1c(C(=O)NCCCO)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873593158 HKXBWKAQBOMTAT-UHFFFAOYSA-N 409.490 1.728 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3C[C@@H](C)O[C@H](C)C3)ncnc21 1873594371 SNCOUKKXSAHDEB-HUUCEWRRSA-N 409.494 1.927 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)CC1=O 1874274587 TUCZUPKACLBRAP-UWPAOYMWSA-N 416.507 1.558 30 10 HDEE COCCc1nnc(SCCCO)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874473653 PJBHBVFKWGPSRP-WOJGMQOQSA-N 423.451 1.503 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1896046460 ZYQDTNBNTSBUNP-HUUCEWRRSA-N 408.304 1.649 30 10 HDEE CC(C)(C#CC(=O)NCCn1ncc(Br)n1)NC(=O)OC(C)(C)C 2023965264 BLGOOHDCGKBGKF-UHFFFAOYSA-N 400.277 1.464 30 10 HDEE C[C@H]1CCC(=NO)CN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2027058481 UVPVZSFEWVYKTQ-ZDUSSCGKSA-N 407.492 1.953 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC(=NO)C1 2046025778 LYNKJUVUJHCNBU-FZKQIMNGSA-N 411.455 1.703 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)CCO1 2174783204 ZLFIQIDQDMRQIK-KFWWJZLASA-N 402.517 1.129 30 10 HDEE COC[C@@]1(CNS(=O)(=O)N2CC[C@@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 2174784234 LWMIRNLFAZIEMV-YOEHRIQHSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2243405220 BJQAVOQAMZSWIS-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243430908 YZVFTOCLQGBOQT-HUUCEWRRSA-N 408.304 1.762 30 10 HDEE CCn1cc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247910304 KOTCGWFYEUNUQW-STQMWFEESA-N 420.319 1.598 30 10 HDEE Cn1cc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)nc1B1OC(C)(C)C(C)(C)O1 2247914362 JWLOFMUCQHLLOO-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247929033 CGFWVRZSTHNYBE-INIZCTEOSA-N 420.315 1.601 30 10 HDEE CON(CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)c(C)n1)C(=O)OC(C)(C)C 2248395689 PJUUDJFJMNVLMN-UHFFFAOYSA-N 422.291 1.821 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248588002 XTAYATAJGQHOAJ-INIZCTEOSA-N 415.251 1.979 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C(=O)O 2251468247 KHHLRRXRVADFJH-AWEZNQCLSA-N 424.303 1.886 30 10 HDEE C#CCN(C(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161914 ITWQBZIQHWUOPA-MRXNPFEDSA-N 410.492 1.518 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1N 2267709722 GZFIJMZSLHSPCW-ONGXEEELSA-N 406.766 1.668 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCS[C@H](CO)C3)c2)OC1(C)C 2267714646 ZBRGTXKNLIDSIE-LBPRGKRZSA-N 405.372 1.146 30 10 HDEE C#C[C@@H](C1CCC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270493923 GFAWHLSAQNQBNW-ROUUACIJSA-N 422.503 1.518 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)[S@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282316872 IZPINFYSWBVECD-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H](CO)C3)s2)OC1(C)C 2282340123 BKWDJOBQAMSXIC-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CO[C@H]1CCOC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340217 CPWAMOIWKOEAQE-OLZOCXBDSA-N 403.331 1.130 30 10 HDEE C[C@H]1CNC[C@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349714 CGCYRJCXGBPBEA-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(CCO)C2CCC2)OC1(C)C 2282415680 KVGXEIJHVALAAK-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](CO)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282499337 CCCMDUMJUQSCEF-CYBMUJFWSA-N 401.359 1.713 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282500674 MFFNGNXFTRLGNQ-RUZDIDTESA-N 401.359 1.174 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCO[C@@H]3C(N)=O)sc2Cl)OC1(C)C 2282612220 DCYMZOCFUNGXLX-KOLCDFICSA-N 400.693 1.073 30 10 HDEE C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282837758 GWVDEYWTFSUEHX-NWDGAFQWSA-N 403.737 1.934 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282839010 XNCHFTNOXGJWFW-GXTWGEPZSA-N 400.375 1.546 30 10 HDEE CCC[C@@H](O)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839556 FUGHMMMAARAWIR-GFCCVEGCSA-N 404.363 1.413 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@H]3CCCCC34OCCO4)c2)OC1(C)C 2282857719 LXDVOVQTFSEEMF-KRWDZBQOSA-N 423.340 1.950 30 10 HDEE C[C@H]1OCC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870658 VXTLFTJECSKCOG-OLZOCXBDSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](C(=O)O)[C@@H](F)C3)c2)OC1(C)C 2284397162 JIEWHKGVLFVIQM-MNOVXSKESA-N 405.278 1.091 30 10 HDEE CC(C)(/C=C/C(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407256 JNDRHAXSNKUXQA-BQYQJAHWSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(CC(=O)O)CCC3)s2)OC1(C)C 2284407665 NUAZEOSZNNSXPJ-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3COC[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284455346 JKAQFZMJVICTOX-WCBMZHEXSA-N 401.677 1.530 30 10 HDEE C=C1C[C@]23C[C@@]1(O)CC[C@@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)C1)[C@@H]2[C@@H]3C(=O)OCOC(C)=O 2297672748 SEQNRAWXEHHXPO-QEHWNEIPSA-N 416.470 1.670 30 10 HDEE COc1ccc2ccccc2c1C=Nn1c(CNC(C)=O)nnc1SCC(N)=O 2330743846 FDVZQIORKPOKOJ-UHFFFAOYSA-N 412.475 1.536 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339666817 DKVPAWIUYXPHSY-WAOWUJCRSA-N 422.547 1.957 30 10 HDEE CCS(=O)(=O)CC(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343812315 HIALMWLBEWNAKL-UHFFFAOYSA-N 407.750 1.752 30 10 HDEE C#CCCCOC(=O)c1cc(I)cc(S(N)(=O)=O)c1F 2363552007 RZVBOXHOUGCOGS-UHFFFAOYSA-N 411.192 1.648 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]1C(C)(C)C 2365198375 FPVPOYKGRHMOBM-LPMFXHHGSA-N 402.557 1.537 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)CC12CC2 2365201612 AVSFDXAMNVIABW-AUUYWEPGSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365207579 PPHUMCFMVFEJGE-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)C1 2367797978 XQZCLWAXONBREB-UONOGXRCSA-N 401.481 1.294 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](CNC(=O)OC(C)(C)C)OC 2367800598 LAILAWJKUQDZKM-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C1(C)C 2372807872 ONCZHVWUZMUDPN-UGSOOPFHSA-N 402.513 1.514 30 10 HDEE Cn1c(=O)[nH]c(=O)c2c1nc(NN=Cc1ccc([N+](=O)[O-])cc1)n2Cc1ccccc1 5318042 XICAPHBCWRUELI-UHFFFAOYSA-N 419.401 1.826 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 23266080 FQBKYBIXKJHBOB-UHFFFAOYSA-N 416.856 1.800 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 32490120 RIUAHUILCDZNKA-HXUWFJFHSA-N 403.567 1.952 30 10 HDEE C=CCCOc1ccc(-c2nnc(CCC(=O)NCCOC)c(O)n2)cc1OC 34767455 UNYHDACPBGATBA-UHFFFAOYSA-N 402.451 1.903 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(Cc2ccco2)CC(F)(F)F)CC1 53423447 JJLFDBNDUUDYOL-UHFFFAOYSA-N 402.417 1.090 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(OC)c(O)c(OC)c2)cc1 63586000 ILWRKGUZXMJDGH-UHFFFAOYSA-N 406.460 1.804 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccco2)[C@@H](C#N)C(=O)N3)CC1 72444620 SSMLAHSSSVJRTJ-TZMCWYRMSA-N 411.418 1.366 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1F 105286255 OFQKOAIOIIMSAF-UHFFFAOYSA-N 418.432 1.909 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)c(C#N)c1 443750886 SFEUZJSNJZCKLF-SFHVURJKSA-N 421.906 1.864 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)CC1 499303786 XVPLYYYEBWRRLM-NRFANRHFSA-N 411.481 1.940 30 10 HDEE CSc1nc(O)c(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)cc1C#N 511791321 GQYVKFLQXFTQTP-NSHDSACASA-N 422.507 1.689 30 10 HDEE Cc1nc(CN2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)n[nH]1 512727008 AHMBIVXRHHIRCN-UHFFFAOYSA-N 411.485 1.685 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 513109213 XRDYXSRCKBFNNM-KRWDZBQOSA-N 405.524 1.196 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(F)cc2)CC1 514740408 UXEJJGSWPBHQHH-KRWDZBQOSA-N 419.482 1.947 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 527386909 XZZHNIOPYDTOBI-KRWDZBQOSA-N 410.405 1.908 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1C#N 530408895 BWQPUUHCWVUZPF-UHFFFAOYSA-N 403.493 1.116 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2sccc2C#N)CC1 533276948 MGFXLPMFDKVHGQ-UHFFFAOYSA-N 419.532 1.289 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 533875592 BTRNLEOCTLIUHA-CRAIPNDOSA-N 408.458 1.045 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)C3CCOCC3)cc2C1=O 536240268 RRSYWYWSDLVRMI-KRWDZBQOSA-N 400.431 1.557 30 10 HDEE N#CCC1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 541914797 LHBXBMYTTMBMMQ-UHFFFAOYSA-N 412.537 1.604 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)c(OC)c1 543085802 WTFNZIZZVSFWIW-KRWDZBQOSA-N 412.490 1.843 30 10 HDEE CS(=O)(=O)C[C@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 546925558 LQMSPGXCCSPDIW-SFHVURJKSA-N 413.503 1.571 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@]2(CCOC2)C1 549666870 HVVIHPKXUOTWIK-JOCHJYFZSA-N 422.489 1.764 30 10 HDEE CN(C)c1nccc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 557556100 LSHOYUXCBJSRDM-QGZVFWFLSA-N 423.496 1.728 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 571457231 UBIQJTUEDXEERR-DOZGXVTPSA-N 420.509 1.767 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC2(C(F)(F)F)CCOCC2)cc1 576572232 VNTUCTNPPWXHEN-UHFFFAOYSA-N 405.398 1.720 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)o1 603787096 RWBYQXLWADPYAH-UHFFFAOYSA-N 411.458 1.967 30 10 HDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]2CCCO2)c1=O 603798891 PCNQFEPOWAKQIZ-CQSZACIVSA-N 417.556 1.486 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)CC1 610164154 WFGBTSCSYRFASB-UHFFFAOYSA-N 406.425 1.909 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nnn(C2CC2)c1C(F)(F)F 610704847 SYCABOJSMCBKRF-JTQLQIEISA-N 406.372 1.644 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619712967 CSNLIRYTJUKTPK-DOTOQJQBSA-N 414.553 1.619 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCc2nn(CC)c(=O)cc2C1 670222003 KXUQCVCNHUTXSQ-HNNXBMFYSA-N 402.499 1.718 30 10 HDEE C#Cc1ccc(C(=O)OCC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)cn1 729031947 UUBWGOIQJZHXFQ-UHFFFAOYSA-N 407.474 1.790 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 729331050 IYQJQOXJDIXBDQ-JKSUJKDBSA-N 408.907 1.337 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140231 VGOKJVHRTJVOHU-MRXNPFEDSA-N 403.508 1.204 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCCS(=O)(=O)CC2)cc1OC 732120729 FLPLAWWHURRGIV-UHFFFAOYSA-N 412.508 1.872 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@@H](C(=O)N3CCCC3)C2)C1=O 732191574 RNVIEALXMAKIFJ-VGSWGCGISA-N 409.490 1.617 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccn1 732495828 HQXVELOIROQHDS-LPHOPBHVSA-N 417.425 1.205 30 10 HDEE CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732894729 NGSIRIRGDZHDMD-GOSISDBHSA-N 418.519 1.147 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 740478425 GWQXQHCTIPLNEO-UVTIVQHFSA-N 417.853 1.271 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCC[C@H]2O)CC1 745332653 VPFWURNAGDHQTL-DZGCQCFKSA-N 414.418 1.159 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746195792 DREKQAGWLUIMFS-LZICOFPGSA-N 414.487 1.752 30 10 HDEE COc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1C#N 746878623 YAYATEOQBPVULF-UHFFFAOYSA-N 409.414 1.830 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(O)nc2ccccc12 748331966 VGZLPSBKQOKBOR-UHFFFAOYSA-N 410.455 1.685 30 10 HDEE C#CCN(C(=O)c1cnc(O)n(C)c1=O)[C@H]1CCOc2ccc(Br)cc21 751582454 RERWWTOKNSLRDU-AWEZNQCLSA-N 418.247 1.848 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cn1 751824444 CWXBRDZMEMZZJS-UHFFFAOYSA-N 402.545 1.361 30 10 HDEE Cn1nnc2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)cc21 755619402 AMXYNGUPEZFYOA-UHFFFAOYSA-N 409.349 1.977 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccnc1-n1ccnc1 756922822 UFCPXVXERUMLHP-OAHLLOKOSA-N 403.450 1.349 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1C)[C@@H]1CCS(=O)(=O)C1 760429708 PELJNCHFJNXFQU-GFCCVEGCSA-N 417.268 1.862 30 10 HDEE COCCS(=O)(=O)c1ccc(CN[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 762370844 CISKUGXRVUIPTB-LJQANCHMSA-N 402.472 1.982 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 763787206 QMTHNCXWTJGBJU-AEFFLSMTSA-N 420.487 1.709 30 10 HDEE Cc1cc([C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)ccc1F 765378407 BZKIQTNYSDPDJZ-QGZVFWFLSA-N 417.462 1.773 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCS(=O)(=O)C1 774168339 VVEKLHNHAGXRRC-ZDUSSCGKSA-N 405.398 1.355 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774235755 UBUTURNIABUIHR-QGZVFWFLSA-N 406.504 1.974 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)c1 776755861 IFOMIUHNRZGOMB-UHFFFAOYSA-N 403.467 1.286 30 10 HDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)s1 796811774 KEBHIVPVPAKWIK-UHFFFAOYSA-N 420.516 1.838 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)[C@H](O)c1ccccc1 808948577 ARGKLGGLKRCCDL-KDOFPFPSSA-N 404.430 1.624 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](CO)(c2ccccc2)C1 809886552 IGZLACCHJYMRHQ-UTKZUKDTSA-N 416.547 1.897 30 10 HDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC)[C@@H]1CCS(=O)(=O)C1 812041956 OBQUJSQLJDVECE-MRXNPFEDSA-N 410.503 1.982 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C[C@@H](O)COc3ccc(CC#N)cc3)CCO2)C1 814665206 RAGWOXFQBSSHJP-GOSISDBHSA-N 417.506 1.814 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCS(=O)(=O)C1 914539558 FNKGJYWLSNLIHA-HOCLYGCPSA-N 421.544 1.782 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)o1 915416369 CRGLMLYXUJIUSU-SECBINFHSA-N 423.472 1.794 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccc2)C1 1116951252 AZDVZJNNFFGXPB-SJLPKXTDSA-N 419.551 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1cc(C#N)ccc1F 1119990218 SPZJAYPDAYNWNQ-INIZCTEOSA-N 404.442 1.829 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)cc1OC 1129890123 VPUXSINPRYRRKE-SIJIIQCFSA-N 402.447 1.553 30 10 HDEE COc1ccc(CNC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1133065655 GCVATOHIHRHOSW-AWEZNQCLSA-N 416.478 1.651 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CCO1 1134490106 KPHIOAQDYLYBCD-QGZVFWFLSA-N 405.252 1.690 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnn2cccc(Br)c12 1136672067 AMCQAQHNQXNBOU-SSZFMOIBSA-N 404.224 1.353 30 10 HDEE CC[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1148816111 FLHBDHLKMAAVJA-IZEVZFMRSA-N 400.497 1.933 30 10 HDEE N#C[C@H](CO)NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1157962512 FLRUSPOLKKXESP-QGZVFWFLSA-N 420.535 1.466 30 10 HDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802242 NVYUGQFUHONTKS-UHFFFAOYSA-N 406.416 1.509 30 10 HDEE N#Cc1ccc(NCC(=O)NN2C(=O)c3ccc(Br)cc3C2=O)nc1 1163491433 CLZXJSYKGAHIBB-UHFFFAOYSA-N 400.192 1.455 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]3CCNC(=O)[C@H]32)C1 1175797426 QCRZNLALVYOVRT-PXAZEXFGSA-N 417.307 1.884 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(-c3ccccn3)n2)cc1 1176115507 QEDARKMHTJTZLP-UHFFFAOYSA-N 409.471 1.933 30 10 HDEE C#CC[C@@]1(C(=O)N2CC(OC)(c3cnnn3C)C2)CCCN1C(=O)OC(C)(C)C 1176846901 ZQQZYDLZQWFPFX-IBGZPJMESA-N 403.483 1.292 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2csnc2-c2ccccc2)CC1 1187354264 WUSPZWGCUXCJIV-UHFFFAOYSA-N 418.544 1.256 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1CCCO1 1218076142 KAPBJLCHXMSYBF-GDBMZVCRSA-N 422.327 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cc(C)oc1C 1286397806 CUKAYSONNDMETR-JOCHJYFZSA-N 409.490 1.704 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C(C)C 1286405086 YJSTXOURTMGGDO-UHFFFAOYSA-N 417.311 1.881 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCC(F)F)CC1 1286476241 RZXNKNSJHKSPNV-UHFFFAOYSA-N 406.412 1.221 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1286513466 VRDLTNDEDMKMEN-MRXNPFEDSA-N 405.568 1.770 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1286716986 PJFXEXPJXQGVGM-FQEVSTJZSA-N 403.483 1.964 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1286774098 YSNDEDSZFSCGOG-IAGYGMIVSA-N 403.527 1.809 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)cc1 1296162015 QWTZBTSKINNNCG-UHFFFAOYSA-N 407.426 1.531 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(NS(=O)(=O)C(F)(F)F)c2)CC1 1297800040 AYCIXWXKXWOKMO-UHFFFAOYSA-N 419.381 1.867 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297999917 CLQFAJOQVNGZKV-OAHLLOKOSA-N 414.901 1.258 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1298046974 GFUMIDRAMAVZKC-MOPGFXCFSA-N 418.519 1.529 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1298775861 XYHDEKWHWYPVQL-IBGZPJMESA-N 419.507 1.103 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1(OCCOC)CCOCC1 1300315440 XNMFLYTXXPUKSQ-SFHVURJKSA-N 413.522 1.934 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1300416414 FMUKKQFAVSSQNE-UHFFFAOYSA-N 408.553 1.129 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1300458993 OLALFQKEENBYBW-KRWDZBQOSA-N 418.542 1.988 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CC(F)(F)CO1 1300511647 KICGTWVJRXYKSR-VQIMIIECSA-N 408.449 1.816 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC 1300656773 BYLOUJOUXVXKNS-UHFFFAOYSA-N 409.288 1.258 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOCC(=C)C)CC1 1300711317 XRMCPPKHOHKRCI-OALUTQOASA-N 403.527 1.350 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CCOCC2)C1 1301554297 ZIRGFGQNJXSAIO-ROUUACIJSA-N 400.527 1.786 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1301595543 VVUKIJBHDAZCII-UHFFFAOYSA-N 420.583 1.784 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1301798753 YRDRHAVYCODIAY-UHFFFAOYSA-N 424.505 1.538 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1302026520 GPSZCNSWCXYEME-LPWQTFTOSA-N 423.489 1.782 30 10 HDEE CC(C)Cc1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302972962 VGJNXBGOMMXRGG-ISLYRVAYSA-N 402.499 1.618 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1302999731 CWLAWQJAWAMCMR-INIZCTEOSA-N 417.491 1.000 30 10 HDEE COc1ccc(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)c(OC)c1 1304271617 NFRPYUIZPTYVNQ-HXPMCKFVSA-N 416.459 1.104 30 10 HDEE CCCc1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1F 1305590832 TWPGYCRLSZSYQL-UHFFFAOYSA-N 423.408 1.190 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cnn(CCC#N)c2C)c(=O)c1C#N 1306833350 CRIAXHMURKGVIP-UHFFFAOYSA-N 403.240 1.902 30 10 HDEE CNC(=O)NC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CCO1 1307936928 OQHMKZTVVZSRJJ-PKOBYXMFSA-N 401.511 1.568 30 10 HDEE CS(C)(=O)=NC(=O)c1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 1311175238 FMLURHAFIHSEOT-UHFFFAOYSA-N 421.523 1.634 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CC1 1315056785 SMUCPKPMHJAGPY-UHFFFAOYSA-N 421.461 1.928 30 10 HDEE C=CCOc1cccnc1C(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1353632419 RXGYIZWRGWHIMY-UHFFFAOYSA-N 418.494 1.894 30 10 HDEE N#C[C@]1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCOC1 1355829417 GWOBMJFOKBORCF-JOCHJYFZSA-N 424.480 1.879 30 10 HDEE C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1355870759 GGCKMABMXPBFQB-CQSZACIVSA-N 400.522 1.693 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358910149 FRWLOKJGCVQBTR-LJQANCHMSA-N 422.537 1.281 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1358949095 SLMOTJLUSGPCRL-LBPRGKRZSA-N 423.461 1.269 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCN(CC)CC1 1358977354 KSNLOQIUGFFBPP-LEWJYISDSA-N 412.582 1.866 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1359113633 MUGJGTBEMHLCJC-INIZCTEOSA-N 424.527 1.358 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359219425 QENVVCNTQDEPHH-CQSZACIVSA-N 418.523 1.187 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CCNS(C)(=O)=O 1359258578 VTKVYNNSGYJNFZ-UHFFFAOYSA-N 413.507 1.477 30 10 HDEE CC(C)C(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1359633465 JWBBOHCXFGAXLS-MRXNPFEDSA-N 402.524 1.821 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1447478858 DOGCZWOUFREVGT-TZMCWYRMSA-N 419.482 1.864 30 10 HDEE C#C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCOCC1 1458497608 UPWRBRBAPURMBU-MRXNPFEDSA-N 409.464 1.456 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@](C)(C#N)C2)c1 1461729502 PBHCKEMTZOURFI-LJQANCHMSA-N 406.508 1.149 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(CC)c1 1467667680 NGJQEKAYKGILDI-CLQKXYRXSA-N 422.551 1.842 30 10 HDEE N#Cc1c[nH]nc1NC(=O)c1cc(I)ccc1-n1cnnn1 1469285033 DBDIUAYEKJWPJO-UHFFFAOYSA-N 406.147 1.114 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCCCC1 1472038709 YKVCFRDBIFDDHN-UHFFFAOYSA-N 403.504 1.263 30 10 HDEE N#Cc1c(N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)ccc([N+](=O)[O-])c1N 1472902345 LZVJXAIJFSKLLE-OTYXRUKQSA-N 404.370 1.995 30 10 HDEE C#C[C@@H](C)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1475257590 JYUPAVRPXMOOGX-SECBINFHSA-N 407.229 1.686 30 10 HDEE N#CCCN1CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1477624424 GHVRDGXZMYXGIG-UHFFFAOYSA-N 405.524 1.212 30 10 HDEE CC(C)c1ccc(O[C@@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1478608634 ZNURPKNMFJEGJX-AWEZNQCLSA-N 411.462 1.978 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)C1 1479314919 XJGYTCKNFLVDDC-PBHICJAKSA-N 408.424 1.986 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2C(F)(F)F)C1 1479314921 XJGYTCKNFLVDDC-WMLDXEAASA-N 408.424 1.986 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H](C)O1 1499781122 DJVCFXYDWZQVNV-CRAIPNDOSA-N 422.493 1.909 30 10 HDEE CCCN(CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1500775450 FDZRFCIFRHQOHP-INIZCTEOSA-N 412.498 1.386 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1501217713 DQTBMLPDIWFZPF-UHFFFAOYSA-N 400.508 1.808 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1503052468 SDSGEGDOVSPNBS-VVWDJWGFSA-N 402.499 1.966 30 10 HDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1505252364 JWBLIMJQLJALCI-UHFFFAOYSA-N 408.553 1.555 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 1506350361 PBQIMTKNZGKAJU-IGALEPNSSA-N 400.519 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1507540476 GXXILUOVMGVQMV-OAHLLOKOSA-N 415.567 1.256 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507636169 ZTIRUFUABWVXSL-GOSISDBHSA-N 416.551 1.453 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507755791 HYPKNOIGEVCGQM-SJLPKXTDSA-N 401.536 1.870 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(CC)CC2)CC1 1507895233 WHAYNLORKCCRDX-UHFFFAOYSA-N 417.602 1.846 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1507955232 WTFQZYNTCJNWGR-MRXNPFEDSA-N 409.512 1.807 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@H](OC)C1 1508072367 PMFQZTJVNYAEAR-LSDHHAIUSA-N 413.482 1.089 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@H](C)CC(N)=O 1508074256 RFMCUYUDEJDYDE-CQSZACIVSA-N 422.493 1.338 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(c2nccs2)CC1 1508090640 JRHPAUUTQICCLY-OAHLLOKOSA-N 417.539 1.257 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1508421792 DDIBHMYKBALHIV-WBVHZDCISA-N 402.524 1.827 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@H](C)C2)CCOC1 1509818143 RMFPISKBRWPLMK-NEYJZJCJSA-N 419.526 1.863 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)C1 1514847192 LOWTXAZQYYBXHQ-OKZBNKHCSA-N 406.531 1.463 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(NC(=O)[C@]3(C#N)CCCOC3)cn2)CC1 1522559735 WDXWJRWDVGDMNY-FQEVSTJZSA-N 416.482 1.793 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1=O 1526581555 XGJAZOGTLZGSKY-UONOGXRCSA-N 409.446 1.682 30 10 HDEE C[C@H](C#N)N(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CC1 1531697592 HQDFFEDQFYCXPH-ZIAGYGMSSA-N 406.464 1.899 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCc2ccccc2C1 1539190298 HHLATTFFVWILLD-GOSISDBHSA-N 406.534 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1539323721 JWZYYGSJCOMGOF-NHCUHLMSSA-N 413.566 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1COCCO1 1539326286 UDELXSFZYJZBBV-YLJYHZDGSA-N 408.458 1.669 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1539343216 HIXUHMGLUKOEGJ-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1539344729 IKMDYMKZYRFARV-INIZCTEOSA-N 407.515 1.940 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCNS(C)(=O)=O 1539392863 YCHVUWMILAKVJW-UHFFFAOYSA-N 405.499 1.559 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)CC1 1539446290 BAYZUIBIHSFWEU-VQIMIIECSA-N 423.608 1.221 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCC(=O)NC2CC2)CC1 1539484344 MBAQHICLBGDMIX-UHFFFAOYSA-N 412.538 1.255 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccs1 1539497487 MVEKOOKXEQGRKM-ZDUSSCGKSA-N 413.594 1.953 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540034197 YGTHTOJQSWOEIT-IRXDYDNUSA-N 418.542 1.515 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C#N)c1ccccc1Br 1540038528 KZMJCUJUQQFIKS-AWEZNQCLSA-N 423.311 1.939 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1ccco1)N1CCCCC1)c1cc[nH]n1 1540424694 GTOMQMLPSZJTJR-MRXNPFEDSA-N 417.466 1.630 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1541945032 ATTUNGMDMGAWNB-RFBLXINOSA-N 408.528 1.053 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1544573968 AGMBKALFGBWDOA-LJQANCHMSA-N 404.486 1.452 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)nn1 1546130112 FULKIZPASWVAHN-NRFANRHFSA-N 422.533 1.803 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1546579099 FJLJSLSTOSMDBI-LJQANCHMSA-N 405.506 1.793 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1547764766 OIPXHEHLIZWHIU-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CC=CCC2)CCOC1 1547893999 OXXHHCRZHLKAHC-PMACEKPBSA-N 404.490 1.634 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1556132588 PCCZTJQOBKANKX-ZIAGYGMSSA-N 424.498 1.234 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]([C@@H](F)C(=O)OCC)C2)s1 1557235112 YIOXDYYSGRBZOP-BLLLJJGKSA-N 418.512 1.505 30 10 HDEE C#Cc1ccc(C(=O)N2CCC(n3nncc3I)CC2)cn1 1557496964 MPRYDFQYQUQDFH-UHFFFAOYSA-N 407.215 1.736 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2cc(Cl)ccc2Br)c(=O)nc1O 1557599558 BXDATWDDMJLLJP-UHFFFAOYSA-N 411.643 1.595 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccc2)c1 1557748803 JCSAQYZBRUKZEY-PMACEKPBSA-N 409.511 1.697 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)c(=O)c1C#N 1558973392 QASPGMAGXKEJGR-NSHDSACASA-N 421.255 1.111 30 10 HDEE C[C@@H]1c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)n2CCN1C(=O)OC(C)(C)C 1566318332 ZGSVAIRMAQWDSN-OAHLLOKOSA-N 415.494 1.998 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 1568892920 AJZAJBWRAJAFGV-IBGZPJMESA-N 404.438 1.536 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N(C)c2snc(C)c2C#N)C1=O 1584665322 LXSUQPGOWFPLHM-LJQANCHMSA-N 413.459 1.762 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)c1 1585638709 NANADLPSSDJKIH-IBGZPJMESA-N 413.499 1.627 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccc(Cl)cc1 1585660513 NDCMZDOACGTGSK-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCO)c(OC)c1 1587615776 YCEMJPMDVGBBCV-HNNXBMFYSA-N 410.478 1.565 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@](C)(C#N)C2)c([N+](=O)[O-])c1 1587890254 YUVVIVNCNZKYHP-GOSISDBHSA-N 424.479 1.766 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588054307 NEPABIUZKKXLAS-ROUUACIJSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)Cc1ccccc1 1588224354 XGWWUENWHDHPMZ-HXUWFJFHSA-N 404.518 1.824 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCCN1CCOCC1 1588619698 BVDNNVCRSIMHHP-UHFFFAOYSA-N 401.486 1.893 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)C[C@H](C)C1 1588639079 ZHMGCYZVEHEEPH-FHWLQOOXSA-N 416.570 1.683 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC(F)(F)C2)CC1 1588924074 VBMAKRYKWXONIP-HNNXBMFYSA-N 420.464 1.240 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC 1589642148 XLIQFIOPPFZLKH-UHFFFAOYSA-N 409.494 1.731 30 10 HDEE C=C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1594114486 AYIHISOVEKIODQ-UHFFFAOYSA-N 408.506 1.650 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1594923560 RLIYUJSHFNOKLN-UHFFFAOYSA-N 407.496 1.278 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595562115 NULJDFZPDCPASN-GOSISDBHSA-N 419.489 1.619 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2CCOC[C@@H]2C1 1595665103 OYYJXGCHGWFZSO-IBGZPJMESA-N 413.522 1.949 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(COCCO)CC1 1596593632 ZMUOQBWQFGXEIQ-AWEZNQCLSA-N 406.907 1.385 30 10 HDEE CC1CCN(C(=O)c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1597217725 ABKGSEWJFWRZCO-UHFFFAOYSA-N 409.446 1.721 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1602997237 NCMLOZILKDBOFT-MXLIYFDZSA-N 424.509 1.830 30 10 HDEE C[C@@H](CC(=O)N1CCCCCNC(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1607414564 GSYWKAJTWPBJAT-AWEZNQCLSA-N 406.508 1.023 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1610111070 HACXVLBUXVCIRM-HXUWFJFHSA-N 411.441 1.695 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1614978308 HBKQGTYDIDPBAA-OAQYLSRUSA-N 407.478 1.202 30 10 HDEE N#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1615098767 USOPAXYPEJHQIE-DLBZAZTESA-N 416.840 1.763 30 10 HDEE CCOC(=O)C[C@@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1616144978 JNASWKGOAYYLDH-CQSZACIVSA-N 409.508 1.743 30 10 HDEE CCOCc1nnc(N2CCC(COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1616796542 DJOICTBTRLOVDS-HNENSFHCSA-N 418.498 1.204 30 10 HDEE CN(C)[C@@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCSC1 1617651355 DGJDZFAIYKKGEV-OXJNMPFZSA-N 417.583 1.797 30 10 HDEE CNC(=O)CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1618815734 BZRCNVAQNMOPKW-SOUVJXGZSA-N 419.530 1.923 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1622506760 ZDEBIEYJFMMCRI-QGZVFWFLSA-N 401.554 1.496 30 10 HDEE CC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624669938 CXHXRIBITFZZHC-GOSISDBHSA-N 413.499 1.822 30 10 HDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCN(CCC(F)(F)F)CC1 1626357815 PGTFCKYUQVXHBW-WUKNDPDISA-N 402.417 1.778 30 10 HDEE C[C@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 1627134749 IVHGDEZWXTUILY-MSOLQXFVSA-N 409.575 1.963 30 10 HDEE C[C@H]1CO[C@H](C)CN1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1629043452 VCOULKRQKOGKAZ-UONOGXRCSA-N 421.339 1.982 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2N(C)C1=O 1629095198 AURFYGYDVALUEB-CQSZACIVSA-N 412.471 1.482 30 10 HDEE CN(C)C(=O)COc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1630400491 FQKDDXGTAXLVJA-UHFFFAOYSA-N 419.434 1.842 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)c1 1630546652 NHNZQWIADRCBGN-UHFFFAOYSA-N 409.402 1.795 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1630987205 HPPCIUSQHMMUBJ-UONOGXRCSA-N 402.517 1.114 30 10 HDEE Cc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c(OC[C@H]2CCOC2)c1 1631027576 BDUNCEDRYWCNOR-HNNXBMFYSA-N 412.446 1.251 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)c2S1(=O)=O 1631407164 XVCSMBNJFNJYPT-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(-c3ccccn3)n[nH]2)ccc1F 1635527994 GJBXPQCPRSLXDY-UHFFFAOYSA-N 416.438 1.400 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CSc4ccccc4O3)CC2)c1C#N 1636455613 NOAGPCUHQCCIIK-HNNXBMFYSA-N 412.519 1.985 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCOCC1 1637127089 AJOWZBICQYRXRI-QGZVFWFLSA-N 424.523 1.126 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(O)(CN4CCCCC4)CC3)cc2C1=O 1637273746 XRQJKAAFQRUGHY-UHFFFAOYSA-N 411.502 1.922 30 10 HDEE CCC[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637930799 CROLTKBLRJUPTP-AQZMIJIOSA-N 404.511 1.900 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1640791827 ALVUPPYHUUPUTI-LAUBAEHRSA-N 400.479 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(c3cc(F)ccc3C#N)C2)CC1 1642364927 NCWBCJAZGNAPRS-UHFFFAOYSA-N 424.498 1.768 30 10 HDEE N#Cc1cccc(ONC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 1642625255 KXHVAVYZMIOEFM-KRWDZBQOSA-N 401.444 1.739 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2O[C@H]2CC(=O)N2)s1 1643188325 KRHLGXSNYSRGPR-KRWDZBQOSA-N 421.500 1.618 30 10 HDEE C#CC1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1643559637 LIDVRWZMPGNZLT-KRWDZBQOSA-N 419.547 1.688 30 10 HDEE COC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCC1 1645561871 VEVAOVCIUDNPIT-INIZCTEOSA-N 407.492 1.649 30 10 HDEE O=C([C@@H]1CC(=O)N(Cc2ccco2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649035665 HYBHTAIRQZYQHJ-CQSZACIVSA-N 411.414 1.532 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc([N+](=O)[O-])cc(Br)c2=O)c1 1651879295 PQAUDMZZNNLKFV-UHFFFAOYSA-N 419.191 1.849 30 10 HDEE COc1cc(C#N)ccc1OCCn1cnc2ccc(S(N)(=O)=O)cc2c1=O 1652207737 AJSGIUVHRJHZAU-UHFFFAOYSA-N 400.416 1.003 30 10 HDEE N#C[C@@]12CN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)C[C@H]1CS(=O)(=O)C2 1652264252 OCEQTOPBENFKFU-LRDDRELGSA-N 409.393 1.932 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCc2ccc(COc3ccccc3)cc2)c(=O)n1C 1652997420 AGCCTSPDFDMFHQ-UHFFFAOYSA-N 418.453 1.623 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)c1 1653490220 AHJVOXBIDARNAO-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(=O)OC 1655079861 OSJFDTZCHOOYLO-ZIAGYGMSSA-N 405.476 1.331 30 10 HDEE C#CC1(O)CCN(CC(=O)N(c2ccc(C)c(C)c2)[C@H]2C=CS(=O)(=O)C2)CC1 1655172893 RKAFKZDYDWRLQY-IBGZPJMESA-N 402.516 1.407 30 10 HDEE CCCS(=O)(=O)NCc1ccc(S(=O)(=O)NCc2cccc(C#N)c2)cc1 1661029597 FFZBAGQRMKLNTF-UHFFFAOYSA-N 407.517 1.866 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(S(=O)(=O)NC)CC2)cc1 1668389030 FBVBWHSHTVNUQL-UHFFFAOYSA-N 421.523 1.115 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(C#N)c2)c(OC)c1 1672205167 GZTMPHYPBVLYAD-UHFFFAOYSA-N 410.477 1.202 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cnc(O)c4ccccc34)CC2)c1C#N 1676171879 RHTDIESIBKSQTQ-UHFFFAOYSA-N 405.462 1.886 30 10 HDEE C#CCC1(NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CCCCC1 1678741348 AWUDQIKQHRICGM-UHFFFAOYSA-N 407.536 1.825 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1680700562 QXODXMLDPSQUHP-GUYCJALGSA-N 421.498 1.987 30 10 HDEE CCO[C@@H]1COC[C@H]1NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1682527172 HGAYZBMKKKVLNW-GDBMZVCRSA-N 401.423 1.442 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)cc1 1685575581 WTBLJLUUDBRJOM-SFHVURJKSA-N 407.478 1.160 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCN2CCC3(C2)OCCO3)CC1 1687677839 GIUAJWWIRUZRRT-UHFFFAOYSA-N 415.494 1.391 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCSC1 1690026848 NYNVWHOOYPALMC-FQEVSTJZSA-N 400.479 1.937 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1690056238 KSJHJSZZYQAMEA-UHFFFAOYSA-N 404.515 1.888 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1690075775 UERNVQLHLYNNPK-LJQANCHMSA-N 410.522 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCOC3=O)cc2)CC1 1690138074 RKBJQXQNFCXEQI-UHFFFAOYSA-N 422.489 1.557 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1690668299 ZHGCLVIQYIYOCZ-UHFFFAOYSA-N 420.399 1.811 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2c(C)nn(C)c2C)C1 1690684192 AMCSHJAIPKNTEC-INIZCTEOSA-N 401.515 1.596 30 10 HDEE CC(C)CCN(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1692328136 VZSQWMAHBKARIA-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1696337220 PTNOSXNDFWLZOX-QZTJIDSGSA-N 404.515 1.187 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCCO1 1696871777 QZZXFKAGUGDYMC-SJORKVTESA-N 400.483 1.598 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1 1698311941 NOYCZBWYUIHEDM-UHFFFAOYSA-N 412.475 1.540 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1705491679 GRZXUUWOPXITMZ-MAUKXSAKSA-N 402.520 1.833 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CN(CC(C)C)CCO1 1705550147 SQAWDFQIUPKPDQ-INIZCTEOSA-N 414.510 1.432 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566877 RGHWGRIONANRPV-ROUUACIJSA-N 405.568 1.657 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1705612164 AYTBAIVNPYHFNW-FGTMMUONSA-N 407.584 1.760 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1OCCC1(C)C 1705843674 LEEQNGUNICWYKK-GJZGRUSLSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2c(cccc2OC)C1 1705893556 AEHMYLSISQSRCN-UHFFFAOYSA-N 424.505 1.388 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOCC2)C1 1705922280 JYNYVJIXNOOMMQ-SFHVURJKSA-N 401.515 1.182 30 10 HDEE C#CCCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1719886751 NATHKSPGORZTEU-WDTWZTHCSA-N 402.413 1.774 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722330202 PVFXYDKWFBEBGN-UHFFFAOYSA-N 407.482 1.552 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1722336812 PVDUEQYOOFMKQB-AWEZNQCLSA-N 405.462 1.674 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722410198 VVDUDKLSAQGBTP-AEFFLSMTSA-N 416.551 1.937 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722682616 WXAVBNWDXWIEMI-BXUZGUMPSA-N 424.299 1.592 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1722686533 GJMSVQWMOWCCKF-UHFFFAOYSA-N 423.452 1.788 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccco2)C1 1722728850 YZABXNKFGPZCPL-HUUCEWRRSA-N 419.507 1.417 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722740542 PYYDDTJLJQFTAB-MGPUTAFESA-N 421.567 1.923 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1723768264 AJYDECOVMNJGJU-AWEZNQCLSA-N 408.528 1.077 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1729304264 CXPZBLDBPHEJOL-IRXDYDNUSA-N 407.478 1.010 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1729539717 PNZPNQNVMJWJAM-RBUKOAKNSA-N 407.478 1.690 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(F)F)CCO1 1729679048 GMWPHBUYXJAESC-HNNXBMFYSA-N 404.421 1.813 30 10 HDEE C#CCCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740566731 JQFKWIVCJRULPC-UHFFFAOYSA-N 420.539 1.845 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@@]1(OCC)CCOC1 1740596419 FEXHMGVXMBPNTG-OAQYLSRUSA-N 401.511 1.450 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCN(CC)CC1 1740615459 FGEWMTKFZOHPQU-AABGKKOBSA-N 418.586 1.345 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1740626651 XYPKNYALFPOBED-DVBCCOPCSA-N 416.551 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN1CCOC[C@H]1C 1740644139 UXPGTHJTPJABDW-HXUWFJFHSA-N 407.518 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1ccn(C)n1 1740653330 JBLMMSXYYPKONP-UHFFFAOYSA-N 405.462 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCN(C)C1 1740658495 MPFSYGFPIFMGJU-DEOSSOPVSA-N 416.529 1.811 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@]2(O)CCO[C@H]2C)n1 1740688588 XJDACPULOFMNBN-UWJYYQICSA-N 416.526 1.424 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCCN(C)S(=O)(=O)CC 1740730828 JDMZPJCKICFIMW-VQIMIIECSA-N 409.556 1.446 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1740894215 MLYXNOIHHYPLGR-UHFFFAOYSA-N 408.484 1.803 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1740900036 SUHNQGNMJMRRNE-QGZVFWFLSA-N 402.520 1.923 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCC2 1740936579 AMTKHKIZDJAKGU-UHFFFAOYSA-N 423.481 1.150 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1740955443 UTZCUQDIQOQEKM-LJQANCHMSA-N 405.506 1.793 30 10 HDEE CN(c1nnc(CC2CC2)n1Cc1ccc(C#N)o1)C1CCN(S(C)(=O)=O)CC1 1747650704 PMZHYRQWUUDFJX-UHFFFAOYSA-N 418.523 1.604 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1748242977 USKPJAIWVZVQIN-OAQYLSRUSA-N 409.494 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1748635760 XHPRMWBYXBBBAX-RBUKOAKNSA-N 415.586 1.246 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748815418 QHBOLNBLQQWXSJ-KURKYZTESA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCc1n[nH]c(C)n1 1748842818 VFJHESNEIZDSGY-UHFFFAOYSA-N 413.445 1.336 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCO[C@@H](C)C1 1749026513 KXPCXXPSYTYDRB-INIZCTEOSA-N 424.534 1.902 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(C)(=O)=O)CC1 1749187531 QUKYJOCPCMCRQG-UHFFFAOYSA-N 422.511 1.100 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1749587010 FBDXBJHAYQONOL-OAQYLSRUSA-N 411.510 1.573 30 10 HDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749609232 IRYIWRRHJUSTIL-UKRRQHHQSA-N 413.478 1.872 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1749649998 GKBWSVACKZQEOS-OAHLLOKOSA-N 404.515 1.068 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)nc2)C1 1749694660 UKLREWSNPBXENW-MRXNPFEDSA-N 400.483 1.650 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1749721255 FCBQPOPKNQBBGU-IRXDYDNUSA-N 421.567 1.884 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1750567364 PDJWSIPZDVPGCG-UHFFFAOYSA-N 407.478 1.985 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C2CC2)CCOC1 1751015315 KCLJPTFAQWSFFR-OAQYLSRUSA-N 416.526 1.585 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1760160429 DAXFIWMZJXYBTN-UWJYYQICSA-N 403.527 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1760219806 ONQKJMWPVFUHIL-IAGOWNOFSA-N 406.577 1.786 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)N(C)C)CC1 1760262478 ZBUMOZMFRQMMQP-FXAWDEMLSA-N 410.522 1.496 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)cs1 1762296512 LNMDCELGLXTLKJ-DYVFJYSZSA-N 401.540 1.845 30 10 HDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)CCC1 1765616591 CKHMIRAIMVCZFA-OAHLLOKOSA-N 401.515 1.303 30 10 HDEE CCOC1CC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)C1 1766111636 CRBABEUHNRDBDW-ORBLRFAASA-N 409.556 1.981 30 10 HDEE CCN(CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1766683838 HTJXXGVRGJRPFU-QAPCUYQASA-N 412.535 1.354 30 10 HDEE CCO[C@]1(c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1767417284 YXTNOGCDIZTSQT-JLTOFOAXSA-N 414.466 1.110 30 10 HDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1767773075 DTKZOTFASVZYDN-UHFFFAOYSA-N 406.512 1.214 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1768569207 FGRNOAPRUQGINV-ZBBYCGENSA-N 423.477 1.015 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(CC3CC3)nnc2N2CCC(CC#N)CC2)C1 1770342397 CIGWGVFANJQECQ-KRWDZBQOSA-N 406.556 1.642 30 10 HDEE COC[C@H](F)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1770801896 SDSQSTOZCAFJTP-AUUYWEPGSA-N 401.421 1.943 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1771283089 WFSNAYGOQYAUMT-NSHGMRRFSA-N 424.505 1.789 30 10 HDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1851630231 SVGBKESSYGRFAM-UHFFFAOYSA-N 409.446 1.874 30 10 HDEE C#CC[C@@H](F)C(=O)Nc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n[nH]1 1852594798 GMTYDRKLXQLPPS-CQSZACIVSA-N 400.414 1.156 30 10 HDEE C=CCC(=O)N=c1nc2nc(-c3ccc(F)cc3)c(CCN3CCOCC3)cn2[nH]1 1853130476 VCBRXCGBDXYQHA-UHFFFAOYSA-N 410.453 1.742 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccnc(O[C@@H]3CCOC3)c2)CC1 1853291271 LOLGEKLYGHEEFC-LJQANCHMSA-N 423.473 1.495 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)C[C@H]3CCOC3)C2=O)CC1 1854861667 WZEYDHJGKHLPPN-IEBWSBKVSA-N 412.490 1.598 30 10 HDEE Cc1noc(C)c1C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854881610 UGSCFVAZLOHEAD-QGZVFWFLSA-N 409.446 1.843 30 10 HDEE Cc1nc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c2ccccn12 1854950179 QFKNRXVUPYZWJI-SJLPKXTDSA-N 408.506 1.694 30 10 HDEE N#Cc1ccc(CC(=O)N2C(=O)CN([C@@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1854995700 XOOZKFDIGGRAHR-QGZVFWFLSA-N 409.467 1.668 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cncc4ncccc34)C(=O)C2)C1 1855047150 SCUSHTUSJGRQLJ-IRXDYDNUSA-N 406.490 1.681 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3C(C)(C)CC(=O)CC3(C)C)CC2=O)CC1=O 1856062866 WBDSELIWJZHCNQ-JKSUJKDBSA-N 403.523 1.618 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)[C@H]2CCC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1856261573 BLYOLHCBZFGWJT-KGLIPLIRSA-N 418.448 1.279 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C(=O)[C@@H]1C 1856262555 KYSPWJQBFUYHME-IRXDYDNUSA-N 407.474 1.657 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1856544722 RQTSWJKHMOEQMM-IAGOWNOFSA-N 416.547 1.915 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCc2ncc(C)o2)C1)[C@@H]1CCN(C)C1=O 1857050098 DGTVTYCTSSPFRU-DLBZAZTESA-N 402.495 1.400 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC4(CC3)CC(=O)N(C)C4)CC2=O)cc1C#N 1857252571 HKNSXLHQFSWXOU-QGZVFWFLSA-N 408.502 1.800 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1 1868740139 DDGGAFYDDOLJPG-OAHLLOKOSA-N 421.519 1.514 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1)C(=O)OC(C)(C)C 2118166294 DEPMLKRTGPCKOL-RUZDIDTESA-N 408.546 1.431 30 10 HDEE N#Cc1ccc(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)cc1Br 2118193859 FPKWBODJFIAYCN-NXEZZACHSA-N 419.201 1.679 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174781994 LIBWZMSRDOXMFV-LSDHHAIUSA-N 401.529 1.920 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784064 JWWRCOQTFJNTFY-OWCLPIDISA-N 400.545 1.949 30 10 HDEE COCCC1(C(=O)N[C@@H](CCS)C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2180373742 PZUNWSFELGIBAK-ZDUSSCGKSA-N 404.529 1.930 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(CNS(=O)(=O)c2ccc(C#N)s2)CC1 2188275315 MFZYDOBLJRHLRQ-UHFFFAOYSA-N 415.537 1.908 30 10 HDEE N#CC1CCN(S(=O)(=O)NC[C@H]2CC2(Br)Br)CC1 2218014673 DZTLICJHHNNIMK-SECBINFHSA-N 401.124 1.562 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2243675618 YUMUPOUFRYFNDJ-UHFFFAOYSA-N 424.332 1.645 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247826608 XCGWKJNNPPZKQD-IMRBUKKESA-N 418.303 1.304 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838564 JWRXLQGMJOGWAE-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE CC1(C)OB(c2cccnc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2247859640 XLPIJPQFJDVNMZ-UHFFFAOYSA-N 413.205 1.131 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@@H](C#N)C1)NC(=O)OCc1ccccc1 2258173217 LYFJLNBAZNYBFG-JKSUJKDBSA-N 409.464 1.020 30 10 HDEE C[C@@H](N)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2281969921 BCVDZODOBMXYSB-PWSUYJOCSA-N 400.737 1.889 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N2CC(S(=O)(=O)C(F)F)C2)OC1(C)C 2282132159 YXFDSNUTALDDDR-UHFFFAOYSA-N 407.269 1.509 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CCN(C)C 2282315358 MTXRVDWYULLHJO-GFCCVEGCSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(CO)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282325905 LHKAUDWBFVFODJ-UHFFFAOYSA-N 401.359 1.797 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](O)C(F)(F)F 2282351786 GISOBAXVLRRLDU-GZMMTYOYSA-N 415.264 1.637 30 10 HDEE C[C@H](N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2282500106 IASHNDCQUHDOJW-NSHDSACASA-N 404.363 1.363 30 10 HDEE CO[C@H]1COC[C@@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858866 DLIBDDYIDDOOCT-STQMWFEESA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(F)F)C3COC3)s2)OC1(C)C 2282862507 DOLHMJKZGTZDPQ-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282882426 LHMSAGFFACTDDX-AWEZNQCLSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@]2(C)C(=O)O)OC1(C)C 2284396951 ZSUVTAKGBKPZGQ-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N1CC(F)(F)C[C@@H]1C#N 2286065410 NWOIONNNFRYACG-VXGBXAGGSA-N 407.439 1.170 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(OC)c(OC)c1 2331259734 VFCSIDVHGYPGIB-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](C#CC2(S(C)(=O)=O)CCC2)OCC(=O)O)C1 2367787660 MFEUKMSKTKPAGX-CQSZACIVSA-N 401.481 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788517 AJALPINANYDLRW-ZIAGYGMSSA-N 401.481 1.436 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367795905 GQMSCWRUVMSRLW-UGSOOPFHSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367802987 GVNMOHUMSOPLKE-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806608 LUUHAIRYGDDYGM-KXBFYZLASA-N 400.541 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]1(C)[C@@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812855 XOQHWCYOXYGIIA-OLMNPRSZSA-N 400.541 1.435 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1 58272581 BXNBEYMJMPFVIL-UHFFFAOYSA-N 410.414 1.949 30 10 HDEE COC(=O)CN1C(=O)/C(=N/n2c(S)nnc2COc2ccccc2)c2ccccc21 59168816 GQHXZZGVNPWWMM-PTGBLXJZSA-N 423.454 1.918 30 10 HDEE C=CCOc1ccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCCCC)cc1 66228168 QICXBADHEDUJQH-GOSISDBHSA-N 403.479 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@H](Oc3nccnc3C#N)C2)C1 219953510 ZUOOGRFZCUQPQC-CABCVRRESA-N 401.467 1.975 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1C1CC1 253564796 GYANIIRXPAXZOL-UHFFFAOYSA-N 406.556 1.102 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CCO1 409496079 RZXIKFLIDACUOH-CVEARBPZSA-N 402.480 1.120 30 10 HDEE COCCCS(=O)(=O)NCC(=O)N[C@H](C#N)c1ccc(Br)cc1 432694764 IMVKNXYVGXLCAQ-CYBMUJFWSA-N 404.286 1.086 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)cc1 442104108 CFTDJGSGHSVNBH-SFHVURJKSA-N 417.531 1.766 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1)C(C)C 460125305 QCFDNGQAYZOPGW-GOSISDBHSA-N 415.604 1.209 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2Cc3cnnn3Cc3ccccc32)c1 469021757 SOHNUNXADXFSSF-UHFFFAOYSA-N 409.471 1.951 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)c4cc(C#N)cn4C)CC3)n2)cc1 471606555 UFLIYBDQKJJASA-UHFFFAOYSA-N 406.446 1.913 30 10 HDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CC(O)(CC#N)C1 477547330 UXLUFXWURKLFNG-UHFFFAOYSA-N 419.297 1.513 30 10 HDEE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1=O 489098717 HQYHOQHAVLPBHE-GOSISDBHSA-N 413.409 1.613 30 10 HDEE C=CCN1CC[C@H](N(C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C1=O 499938660 KSUDKBAZLRQMNO-SFHVURJKSA-N 414.554 1.276 30 10 HDEE COC(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 504964317 XJJFWHZJWPYUCA-MJGOQNOKSA-N 420.425 1.794 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(-c2ccccc2C#N)c1=O 505642564 XBSXVXZOQMCSOI-UHFFFAOYSA-N 417.494 1.541 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 508847479 VGCFMCPIUJWEIN-UHFFFAOYSA-N 412.538 1.977 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508868605 WAVDREYAKBVQRS-YOEHRIQHSA-N 404.492 1.848 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 509001549 NSKCMALYSGOTMI-SFHVURJKSA-N 418.542 1.077 30 10 HDEE C=C(C)COc1cccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 531776397 RTZABKKCWGITOL-UHFFFAOYSA-N 402.495 1.650 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccs2)c(=O)n1C[C@@H]1CCOC1 533544946 HQIFKRDIOGFLSC-ZDUSSCGKSA-N 400.525 1.880 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)C[C@@H](C)O1 545461897 IPOOQGBMHWATSB-CALCHBBNSA-N 406.490 1.924 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](COC)C1 549637170 CWFLJPNRKUGSPR-CVEARBPZSA-N 413.544 1.050 30 10 HDEE N#CCNC(=O)CNC(=O)NCc1ccc(I)cc1Cl 561767525 ZATDLXRCIMRVHK-UHFFFAOYSA-N 406.611 1.384 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 573088537 NNDRVIUTJZPXQD-LSDHHAIUSA-N 412.560 1.350 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2C[C@H]2CCOC2)c1 579132686 IRHRVQORYRJRFX-GOSISDBHSA-N 416.489 1.970 30 10 HDEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)Cc2cc(F)cc(F)c2)CC1 585227195 QMUYHJQYWBWBDP-UHFFFAOYSA-N 407.446 1.962 30 10 HDEE N#CCNC(=O)CNC(=O)NCc1ccccc1-c1ccc(Cn2cncn2)cc1 588112906 XIMOZCHDKWBPGV-UHFFFAOYSA-N 403.446 1.432 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 603799648 REGPFLHYFRLKNW-OAHLLOKOSA-N 413.474 1.010 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(Cl)nc1 727164051 HWIVEYFRKWOKIE-UHFFFAOYSA-N 422.897 1.753 30 10 HDEE N#CC(C(=O)N1CCSCC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1 732663289 OMRCTMLKZCYABI-UHFFFAOYSA-N 423.519 1.570 30 10 HDEE N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCN1C1CC1 732676826 NTMCMCXPIFACDT-HNNXBMFYSA-N 411.915 1.000 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 752150827 RKGBVIYOWTWBHK-UHFFFAOYSA-N 416.393 1.138 30 10 HDEE C[C@@H](C#N)CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CC1 754174542 HRSPVWSAMZCKNC-BBRMVZONSA-N 417.487 1.774 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCCOc1ccc(C#N)cc1 755182756 CCRGIKLBXHUSAQ-KRWDZBQOSA-N 417.462 1.996 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 756676370 LCHRLFZFPFKMSE-NSHDSACASA-N 423.318 1.681 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2cccnc2-n2ccnc2)C1 758348050 ZYHHJRRVURNXMK-HOTGVXAUSA-N 411.466 1.826 30 10 HDEE N#Cc1cccc(N2CCN(Cc3nnnn3-c3ccc(OC(F)F)cc3)CC2)n1 760911287 OXGAZYGGXZAWHC-UHFFFAOYSA-N 412.404 1.853 30 10 HDEE CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 761852796 LCKLJCHXZVQACL-GOEBONIOSA-N 413.503 1.637 30 10 HDEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 763680665 AKRNLDCBFSTTJQ-MRXNPFEDSA-N 412.515 1.853 30 10 HDEE CC(C)(C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 770830563 DOPGNGBADUDDQX-UHFFFAOYSA-N 411.439 1.579 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](c4nc(O)n[nH]4)C3)ccc2c1=O 774291310 JOOFZUJIFSDQLJ-LBPRGKRZSA-N 412.475 1.715 30 10 HDEE CCC1(CC)CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 777580168 JHSAJDICOKUHNU-UHFFFAOYSA-N 418.519 1.569 30 10 HDEE C=CCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 777842548 HHROTPDBQNEZQY-UHFFFAOYSA-N 403.298 1.728 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 781351145 BLMIVJASYJLWJH-IAFNSTAXSA-N 406.483 1.809 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@]4(CO)C3)c2)c1 782729936 BVOPMJVFTLLHPI-YADARESESA-N 418.449 1.652 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1nnc(C2CCC2)n1C 783171598 SCYGEEOZIMPLQC-GFCCVEGCSA-N 403.464 1.364 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791718245 ORQDBUAXMIYEPC-OAQYLSRUSA-N 423.510 1.566 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N(C)C(C)(C)C#N)[C@@H]1c1cncn1C 796088790 UYAOVXPZDIXUIR-RDTXWAMCSA-N 403.483 1.414 30 10 HDEE C#CCNS(=O)(=O)c1cccc(-c2nc(-c3ncccc3-n3cccn3)no2)c1 796094689 MLFMUSOSUBAGNM-UHFFFAOYSA-N 406.427 1.896 30 10 HDEE Cc1ccncc1N1CCN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CC1 799156799 ZBTZZFPYQXAXBZ-QFIPXVFZSA-N 404.474 1.808 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 803522693 ITSAHEKLTKJDML-QGZVFWFLSA-N 415.471 1.966 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)C2)c(F)c1 805590748 YSSJRNKRHPRALX-VQIMIIECSA-N 401.438 1.704 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 1127534580 UGFJRGJNKKIOJI-CEQIKUNHSA-N 412.446 1.218 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cnn(-c3ccc(Br)cc3)n2)C1=O 1128500059 INORRHJBAIYHSG-HNNXBMFYSA-N 404.268 1.889 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)cc1 1128702526 IZFHRHZGTAQSQE-UHFFFAOYSA-N 403.504 1.886 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)[C@H](C(=O)NCC(=O)NCC#N)C1 1128801850 SBABNFXRNPWFHU-IAGOWNOFSA-N 400.479 1.468 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(=O)nc1O 1148392591 AOUAKYXZSPKYSV-UHFFFAOYSA-N 403.398 1.503 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2cccn(CC(F)(F)F)c2=O)C1 1153867253 ZVJRATPZTAFNTJ-AAEUAGOBSA-N 414.384 1.899 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1160881658 YNAKPXHBDVDJQL-IBGZPJMESA-N 408.455 1.274 30 10 HDEE CC(=O)N1C[C@H]2CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C[C@H]2C1 1175990132 HMRNMENGFPFCTK-GASCZTMLSA-N 417.307 1.694 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)c1 1178394719 PYCLIOOBEKSBHR-IBGZPJMESA-N 414.483 1.759 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1178540026 RWAWMUDEITVJBC-UHFFFAOYSA-N 404.430 1.219 30 10 HDEE O=C(c1c[nH]c(C(=O)N2CCCC2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273117 PDZQFDQXTLHZFO-UHFFFAOYSA-N 410.430 1.768 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 1214210194 OEFSCAYMNPHMCJ-INIZCTEOSA-N 406.508 1.833 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1CCCO1 1218076145 KAPBJLCHXMSYBF-ZBFHGGJFSA-N 422.327 1.898 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 1225491813 OODQPYOFYMVFQF-UHFFFAOYSA-N 423.926 1.159 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)C1CCOCC1 1231332168 PAIIIBZLPSABHV-QGZVFWFLSA-N 415.519 1.012 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)N[C@@H]1CCCN(CCN3CCOCC3)C1)C2 1245968961 AYVFTWGUXWHDJF-OAQYLSRUSA-N 411.550 1.617 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1251708625 VFXNQJUYAVMBDI-KRWDZBQOSA-N 400.527 1.992 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(CC(=O)N3CCCCCC3)CC1)C2 1254483122 WGWTYLWXDUYPBE-OAQYLSRUSA-N 409.534 1.755 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1F)[C@@H]1CCS(=O)(=O)C1 1264995873 VRVRDQWICVCDLD-LLVKDONJSA-N 421.231 1.693 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1286299813 IKYGUYIQOXBKOQ-ZBFHGGJFSA-N 416.551 1.587 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286342779 DXXOVBCTRQLOMU-HNNXBMFYSA-N 408.466 1.792 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286354940 BUHJTPBDTCXREU-UHFFFAOYSA-N 420.517 1.997 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1286412376 ABWXPKSJFLRKDU-ZWKOTPCHSA-N 421.492 1.601 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N(C)C1CC1 1286425988 FZFDLOKNWNVYFJ-MRXNPFEDSA-N 408.506 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCc1nccs1 1286818165 CMHQZOAZVBQJRV-UHFFFAOYSA-N 421.552 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)CC1 1286819675 RXIMTRHRQVRARA-UHFFFAOYSA-N 421.489 1.831 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287002756 NMCXMZFLRBFLTD-IIUXCQHESA-N 414.510 1.719 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)on1 1290971551 WACXFTWHERRDIA-QFBILLFUSA-N 402.455 1.392 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 1292419295 HIRMUSRUAMRAGI-DLBZAZTESA-N 419.323 1.736 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]n1 1294435679 FVVDETQUKRRLRZ-LBPRGKRZSA-N 405.455 1.950 30 10 HDEE C#CCN(CC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)C)C(=O)OC(C)(C)C 1295424461 OVJHJVLCMPYBTC-CYBMUJFWSA-N 403.443 1.538 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCc2n[nH]c(C)n2)CCOC1 1296597349 FEAMOSJPHGYAAZ-HXUWFJFHSA-N 414.514 1.730 30 10 HDEE C=CCOc1ccc(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)cc1OC 1297023195 CBQMANNUENHPLS-UHFFFAOYSA-N 405.495 1.123 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)[C@@H]2CCCOC2)C1 1299352677 XFTMUYCPTGIVBW-MLGOLLRUSA-N 408.296 1.661 30 10 HDEE CO[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CC1 1299690700 HJYNZHLSKHNICM-IAGOWNOFSA-N 407.540 1.735 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)F 1300276237 JLBHVCKAONRDDO-GFCCVEGCSA-N 407.421 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300286201 FUKDHMLBIUNZPP-SJCJKPOMSA-N 409.899 1.001 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1300358472 WBGSQMXESSMHOB-LJQANCHMSA-N 424.553 1.225 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300485034 TWAJZZZUGFZCKU-AXVVYFOYSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@H](C)C1 1300545479 PQUMEQKFLKFJCV-FQEVSTJZSA-N 410.566 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1300596058 KXEHDFSIRPFXTQ-KDDVOAFDSA-N 408.462 1.119 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCn2cccn2)CC1 1300683024 VEQGGFKKAIIZAB-UHFFFAOYSA-N 412.542 1.239 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCNC(=O)C(C)(C)C 1300779598 YOZVKRWDFYACEM-OAQYLSRUSA-N 400.527 1.669 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCS(=O)(=O)CC 1300895951 XMNUQMKCEUXVSF-BRWVUGGUSA-N 412.556 1.982 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1301258205 NEEDZJARWQUSPE-UHFFFAOYSA-N 406.575 1.670 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1301259398 LCLMSTVAJHOABV-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](COC(C)C)C1 1301490135 LAAHYYIODFUBKN-MRXNPFEDSA-N 403.483 1.779 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CCCO2)C1 1301539974 YBFCFXHKZVZLRV-RKVPGOIHSA-N 413.544 1.239 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1303643635 ZZCKSZZWRWAFKH-HUUCEWRRSA-N 418.523 1.813 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc1OC 1304847000 GFWAXOKVSYUGDJ-ISIQUDIPSA-N 404.463 1.839 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCC#C[C@@H]1CCCCO1 1305002781 UHZQHRGSXNGPBP-AWEZNQCLSA-N 415.309 1.416 30 10 HDEE CO[C@H](c1ccccc1F)[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1312365568 FUSSIXOCRZSAEF-BZNIZROVSA-N 401.398 1.302 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1312733393 JFVKRTFWBZKSCV-YJBOKZPZSA-N 407.536 1.299 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1Cc2ccc(C#N)cc2C1)C1CCCC1 1312943246 OWIKVNVTUMVWDZ-GOSISDBHSA-N 405.524 1.538 30 10 HDEE C#CC[C@@H](COC)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1313096405 ARSFKCRUSFTJCH-GJZGRUSLSA-N 403.483 1.611 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1313775385 GNEZAXDFMBSXID-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1314389057 ALYYGCRARRZNHQ-QFIPXVFZSA-N 423.521 1.491 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC(=O)N1 1316291183 FNGSVQWINYOJLM-MQJTVSLUSA-N 402.499 1.411 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1342019678 QQDISJBHIFWGRN-SFTDATJTSA-N 414.462 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)c(Cl)n2)CC1 1351156430 CACSRFOVSIQDGQ-UHFFFAOYSA-N 407.858 1.416 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn3c(n2)C[C@@H](C)CC3)c1 1355984006 LWJPAPUXCLLKJA-KRWDZBQOSA-N 406.486 1.952 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1358905221 VQHNFTLRDBOKBF-VYDXJSESSA-N 409.556 1.696 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1c(O)nc2ccccc21 1358940261 STRQLWONZPWWCX-OAQYLSRUSA-N 410.478 1.755 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1358951865 OTSNTVPSVGUIKR-UHFFFAOYSA-N 407.478 1.294 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1358978222 GOFPRTUCBRLMIY-ROUUACIJSA-N 403.552 1.127 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN2CCOCC2(C)C)CC1 1359033606 IPKWHZQPHZTSBG-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359099614 QPAUCMKGUYOUMX-MXTNKPTQSA-N 403.527 1.855 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1359133128 LZHVYTBADWEKSI-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1359275266 OSUQLVDLTZYIEK-GOSISDBHSA-N 410.522 1.943 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](CC(F)(F)F)C1 1453877180 HNSINRKDSLITME-LLVKDONJSA-N 405.398 1.295 30 10 HDEE CCOC(=O)[C@H](C)C1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1455505886 SCLLNZHHGMGVIC-CHWSQXEVSA-N 407.492 1.161 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN(Cc4cccc(F)c4)C3)C2)c(=O)nc1O 1457192587 GPTARRINWLOHHJ-OAHLLOKOSA-N 411.437 1.255 30 10 HDEE Cn1c(NC[C@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1458541448 NZYDBRXDLVTOAB-CYBMUJFWSA-N 405.499 1.793 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1464300137 IOKMXIBJCZNPQC-ZWKOTPCHSA-N 424.544 1.403 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)c1 1467023729 PSAOYIXFPGKINH-UHFFFAOYSA-N 415.471 1.852 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)c1 1469387272 QUWJGWDXIWDLOZ-SFHVURJKSA-N 423.535 1.154 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N(CCOCCO)C3CCC3)C2=O)cc1 1470032470 IMFCKRYIGAKQDE-LJQANCHMSA-N 400.479 1.232 30 10 HDEE COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 1471300027 GJNHBLGCPSWFSF-UHFFFAOYSA-N 402.432 1.442 30 10 HDEE C=CC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1472262451 YZKWSBXCUYPLAW-CQSZACIVSA-N 410.492 1.515 30 10 HDEE C[S@](=O)C1(C(=O)NCC2(C#N)CCOCC2)CCN(C(=O)OC(C)(C)C)CC1 1472338533 DEFSMYAUVHOPRG-NDEPHWFRSA-N 413.540 1.571 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(CC(N)=O)CCCCC2)[C@H](C#N)C1 1478403721 MZVRLAJGHREOGW-HUUCEWRRSA-N 407.515 1.871 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccccc2S(C)(=O)=O)n1 1478826095 PJXVMZZOCWKNLS-UHFFFAOYSA-N 404.492 1.278 30 10 HDEE COC(=O)C1CC2(C1)CN(C(=O)NCC#CCN(C)C)C[C@@H]2C(=O)OC(C)(C)C 1479620005 FAGAXICOWAOWOY-ZGOJQLDESA-N 407.511 1.104 30 10 HDEE C[C@@H]1COCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1494578642 OASZQYSWCZIUFJ-UFOSLELVSA-N 400.483 1.687 30 10 HDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1505027140 MASDZKGQXFADLS-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507620377 QIIOMZMZHCTVGM-IBGZPJMESA-N 409.538 1.276 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)CC)CC1 1507727721 SQNPSYDACHDEDO-JOCHJYFZSA-N 408.506 1.645 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)NC)CC1 1507732576 PUGPRPPMHBNMAS-UHFFFAOYSA-N 410.522 1.365 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507743470 CLSSJTJGCHDLBW-UHFFFAOYSA-N 418.567 1.039 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507752419 ZUMLTBSQLGABEC-HOTGVXAUSA-N 418.523 1.808 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1507872660 FCTDBFYBNHOSOT-QFBILLFUSA-N 413.950 1.840 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1508087158 BKUIJUMYJVYKCO-UHFFFAOYSA-N 414.514 1.252 30 10 HDEE CC(C)Cc1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509240548 AYYXWOKWMSYPOM-MHXJISAXSA-N 402.499 1.617 30 10 HDEE CCCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1515105755 FSHORMHAZXRJNT-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE CCn1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1515778637 GPRDZMUCFHZAAK-LJQANCHMSA-N 423.477 1.859 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H](C)C#N 1515795879 GIBXYDHVVSRZHJ-CQSZACIVSA-N 408.466 1.972 30 10 HDEE COC[C@@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518765290 MQSPUAQRPXWHKQ-WMZOPIPTSA-N 416.505 1.301 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)COc2ccc(Br)cn2)n1 1520238558 FZGLMMJBUAMNHY-UHFFFAOYSA-N 407.268 1.728 30 10 HDEE Cc1nsc(N2CCN(C(=O)Cc3c(Br)cnn3C)CC2)c1C#N 1524096308 UCTZKCQVTYAZFN-UHFFFAOYSA-N 409.313 1.711 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cnn(C(C)C)c1I 1526692893 MXXVTBPSOGOBBY-UHFFFAOYSA-N 411.265 1.399 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 1527211447 LHAAYQOBQBKRIY-VDWHKPSJSA-N 401.492 1.975 30 10 HDEE C[C@H](C(=O)Nc1nc2ccc(I)cc2[nH]1)n1cnc(C#N)n1 1529777327 NSQKZLRWXCCQBF-SSDOTTSWSA-N 407.175 1.830 30 10 HDEE COCCN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C(C)(C)C1 1531031007 QVUCWQRSFRFSEK-UHFFFAOYSA-N 408.524 1.061 30 10 HDEE CO[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1Br 1536179100 CDSPYYAUHRTDFV-PEYYIBSZSA-N 413.293 1.533 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539142449 QLTADSOMMOSGKR-OAHLLOKOSA-N 404.515 1.744 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1539340023 BJGJQBHLMZJJTR-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O 1539414832 ZNLQGHBPHXFPMZ-SJORKVTESA-N 410.540 1.573 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1 1539415534 FOMNOEZICTWCLS-LJQANCHMSA-N 411.506 1.527 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)C2CC2)CC1 1539428412 RBUDCOUKGMDWMT-OAQYLSRUSA-N 402.543 1.113 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@H]2C)CC1 1539445798 GSCHWAWTOFPVHO-CEXWTWQISA-N 414.554 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@@H]2CCCC[C@@H]2C)CC1 1539445800 GSCHWAWTOFPVHO-GBESFXJTSA-N 414.554 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCS2)CC1 1539446289 BAYZUIBIHSFWEU-QFBILLFUSA-N 423.608 1.221 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1540040601 ZARNLTKALANIFM-UHFFFAOYSA-N 423.521 1.778 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)NC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1540429536 XTDBTYXYQWDXPT-UHFFFAOYSA-N 406.527 1.222 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C#N)CC1 1540897207 CZHOBMKOUSCDGH-UHFFFAOYSA-N 422.555 1.537 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)CC1 1540917378 UUXQOCQNEQIOIL-HNNXBMFYSA-N 415.585 1.173 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)COCCO2)CCOC1 1541105439 IXSALMOCLQNYGB-UXPWSPDFSA-N 407.515 1.720 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)cs1 1542201500 SIZBIPWFCLUPKY-TZMCWYRMSA-N 410.525 1.035 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)C1 1552379780 GCILXJGAMULGAF-UHFFFAOYSA-N 420.514 1.940 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C1=O 1556383039 DODIWKWPAVZPQM-PBHICJAKSA-N 417.510 1.881 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)NCC(=O)OC 1557095409 KTXXSWXFCAIBNM-OLZOCXBDSA-N 417.890 1.303 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NOc2cccc(C#N)c2)C1 1557923253 XUWAZKXTJOSMMB-AUUYWEPGSA-N 421.475 1.250 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OC)c2cccc(C)c2)cc1 1558053200 BIYBFFMHIFSSPG-LJQANCHMSA-N 414.483 1.941 30 10 HDEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@H]1CCC[C@@H]1C#N 1560060520 PLTJRSGOTYEHBU-AEFFLSMTSA-N 404.536 1.840 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccncc3)no2)s1 1565774589 WYPDIRRPHPDMPN-UHFFFAOYSA-N 419.488 1.516 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccccc1N 1569934036 RAMXUIIPALRQCV-UHFFFAOYSA-N 402.476 1.094 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C)C1=O 1583754204 PEFKEPXVHDFCAI-LBPRGKRZSA-N 401.419 1.126 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1587641215 YTJGCQLGEWRJDJ-MELADBBJSA-N 400.595 1.487 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1587697580 TYLVOOAYEHPZKU-GOSISDBHSA-N 400.527 1.622 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1587898072 FUHVZSYIVMISKE-HKUYNNGSSA-N 411.510 1.532 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1588206020 ZXDYIZPQAYWXBQ-XDOYNYLZSA-N 414.469 1.934 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1588975218 FJOQRGHXAYZNBX-UHFFFAOYSA-N 416.555 1.483 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1593625262 OVABLPWHAWOUPQ-HNNXBMFYSA-N 413.482 1.501 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1593730300 VVGFIWGGOSFHKO-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594669504 YINKYOKJLSASHB-AWEZNQCLSA-N 404.496 1.515 30 10 HDEE C=CCCOCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1594829370 INWWMGKVIIFYFW-RTWAWAEBSA-N 422.526 1.519 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@](CO)(C(F)(F)F)C2)ccc1F 1595227065 YGQLKYKQCPUYDO-HNNXBMFYSA-N 410.389 1.677 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1595805084 KVAQZSRYONXWFS-UHFFFAOYSA-N 424.571 1.169 30 10 HDEE C#CCN1CCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1 1596623682 ICJXDKZEUFDXIS-HNNXBMFYSA-N 405.505 1.683 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1596695649 FINVAOYHMOQDIV-IBGZPJMESA-N 409.494 1.448 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1597323811 HPEZABSTVACQSQ-ZGRWHYIRSA-N 410.467 1.061 30 10 HDEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1612235081 LBBXCVKPNJDFKE-INIZCTEOSA-N 422.493 1.973 30 10 HDEE Cn1nccc1[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1617864946 PSYDGYVLBYVKSQ-SJLPKXTDSA-N 422.445 1.097 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccccn2)CCO1 1618688475 ALTNJIMGLBLVGG-LJQANCHMSA-N 417.473 1.406 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1619210777 IXVXSIBOSPFQMC-OALUTQOASA-N 413.478 1.878 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(-n3cnnn3)cc2)n1[C@@H]1C[C@H]1CF 1619911299 OUCNBRLXWQPCQM-DOTOQJQBSA-N 411.445 1.818 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H](C)N1CCCCC1 1620026417 YWZJEOZZOCWGCQ-OTWHNJEPSA-N 420.558 1.995 30 10 HDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)CCOC1 1620434908 JHHTXPTVRBOFAS-CCMYNQISSA-N 420.554 1.255 30 10 HDEE N#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1626359406 KEAJAUODUQGEKJ-OAHLLOKOSA-N 414.409 1.920 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN([C@@H]2CCOC2=O)CC1 1631261832 NZBUHKFZPBJUAR-GOSISDBHSA-N 410.474 1.947 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1634303255 ZTLWADNCKLVHJH-MSOLQXFVSA-N 424.563 1.570 30 10 HDEE C#CCN(C(=O)[C@@H](C)NS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1634818779 VNLQWPMUNJWSHO-CQSZACIVSA-N 401.529 1.176 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)C1 1638075532 RHXQWHWRCHHNMS-KRWDZBQOSA-N 405.520 1.307 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)CC1 1638656630 QTYKPJKJARWMRQ-LJQANCHMSA-N 408.520 1.371 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@@H](O)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1 1638813795 DFAOTQBFVZDIMY-UKRRQHHQSA-N 408.911 1.688 30 10 HDEE COCCC[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(Cl)cc1 1640395256 QMZZSBHTOIZPEI-CQSZACIVSA-N 404.854 1.801 30 10 HDEE N#Cc1cc(N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)nc(C2CC2)n1 1642592959 JQBXUZNSPPAMFS-UHFFFAOYSA-N 404.418 1.181 30 10 HDEE COC[C@@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCCN1C(=O)OC(C)(C)C 1642709222 LLVSRVWQBDQYHP-DYESRHJHSA-N 406.527 1.991 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2cc(Cl)nnc2C1 1643628175 WEPJUPUZHNHRKB-LLVKDONJSA-N 405.867 1.253 30 10 HDEE COc1cc(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 1646039242 OZSCQFFXXRAXQF-ZDUSSCGKSA-N 405.480 1.521 30 10 HDEE COc1ccc(F)cc1CCNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1651940442 BYSFSCLOFDNIPZ-CYBMUJFWSA-N 405.451 1.732 30 10 HDEE C[C@](O)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 1652201669 BKLRNTCSGVCWON-IBGZPJMESA-N 405.451 1.278 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@H](O)CC1(C#N)CCOCC1 1652350748 OEGBIFWBXHMRSL-QGZVFWFLSA-N 410.536 1.862 30 10 HDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1652950464 HPBNFVVKPGSIGG-UHFFFAOYSA-N 420.491 1.718 30 10 HDEE CN(CCC#N)C(=O)CCN1CCc2nc[nH]c2[C@@]12CCN(C(=O)OC(C)(C)C)C2 1655170097 JHCHKMIZBDXZAM-NRFANRHFSA-N 416.526 1.866 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1655958688 REDPOIRXGQBBQV-MRXNPFEDSA-N 405.561 1.392 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 1657633923 ACMISUYJUGRFCK-UHFFFAOYSA-N 408.524 1.385 30 10 HDEE CC(C)(C)OC(=O)NCCCOCCNS(=O)(=O)c1cccc(F)c1C#N 1663494817 FUAMQKUATBHPGW-UHFFFAOYSA-N 401.460 1.907 30 10 HDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)N1CCN(CC(N)=O)C(=O)C1 1668303188 GYDHCILFEFSKBB-UHFFFAOYSA-N 407.430 1.820 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 1671494786 FRCQFUGWXXUILH-ARFHVFGLSA-N 401.467 1.661 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 1671495143 LZIQGIPUPQEPSI-KBPBESRZSA-N 414.528 1.260 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccnc(OCC(F)(F)F)n2)n1 1672363116 DLYAYJNHPZYIKS-UHFFFAOYSA-N 412.372 1.928 30 10 HDEE CNC(=O)c1ccc(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(OC)c1 1673199964 GYZARCYNGFSXAD-SFHVURJKSA-N 421.457 1.849 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)C1 1676031314 XNHQQFVDAGNGOB-QGZVFWFLSA-N 403.552 1.763 30 10 HDEE C#CCN1CCC(NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CC1 1680568591 FCLNGMJHTZASIG-UHFFFAOYSA-N 412.943 1.405 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1689999747 HLDRMWBHHXVIMP-UZLBHIALSA-N 421.567 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1690005284 YYOVRBNQUMONNW-UHFFFAOYSA-N 410.297 1.153 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1690069125 JFOPJJDPBSRSNS-VZCXRCSSSA-N 420.473 1.940 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1COCCO1 1690103992 JYXVQDOTZISPFO-LPHOPBHVSA-N 414.462 1.292 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1690104115 MXWSUZPORDKKMZ-QZTJIDSGSA-N 413.526 1.271 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1)C1CC1 1690536538 BDGPRSKLVDJWEL-HNNXBMFYSA-N 410.588 1.918 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCN1CCN(C)C(C)(C)C1 1690619854 GOSLOXDGEAXSQH-UHFFFAOYSA-N 401.559 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1690669127 VIXZYGQETSUBHJ-UHFFFAOYSA-N 422.449 1.624 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690671600 ZRRFEYJFQDDDOC-CQSZACIVSA-N 423.477 1.009 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Oc1cccc(F)c1 1692707844 DAQZJEMPENITJZ-KBRIMQKVSA-N 414.441 1.565 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCCS1 1692774456 HASWMDMLNGRQFF-GUYCJALGSA-N 412.585 1.914 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1695509871 PGEYDKJJBAXGMF-NRFANRHFSA-N 418.542 1.927 30 10 HDEE COC(OC)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1697188603 KVHHGDHHDHGIBS-KRWDZBQOSA-N 421.461 1.804 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705549295 PETIQDADRDLCCU-MRXNPFEDSA-N 405.510 1.854 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1705571284 YFKJMERXEGJFEF-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705604718 SDTGWPFEARQUIB-PASDCYSWSA-N 409.556 1.289 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1705619413 QBVWUEWXDFJVIP-HXUWFJFHSA-N 420.510 1.730 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@H](OC)C(F)(F)F)CC1 1705637806 MOBYKQVRWSULKX-HNNXBMFYSA-N 409.416 1.458 30 10 HDEE C#CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705665176 MDOUHVAESZFAIW-UXHICEINSA-N 421.567 1.387 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1705674218 BYVGVIGQGYDSRH-YLJYHZDGSA-N 405.568 1.658 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@H](CNC(C)=O)C1 1705709927 UAFWKCWIMFIMCB-LMMKCTJWSA-N 407.515 1.137 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1705763221 QTOHHFLGUMVZHU-GJZGRUSLSA-N 406.487 1.147 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1705890147 ZDSFCRLSHUWSJV-SFHVURJKSA-N 424.505 1.663 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC(C)(C)C)CC1 1705893843 IIJQVYHBIMBCQF-UHFFFAOYSA-N 418.542 1.600 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705902732 MGBCWCPJSAVAMQ-IBGZPJMESA-N 419.507 1.164 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCc1ccn(C)n1 1710732472 HSVWNDPBEXTDKY-UHFFFAOYSA-N 420.521 1.989 30 10 HDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1712058770 HXQYSMDRQOQEPD-SFHVURJKSA-N 412.494 1.869 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H]1CCOC1 1712563597 ZPUCDVFMPGDFAP-ZHALLVOQSA-N 418.542 1.605 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722334652 HTJUGLGCWLAKBR-LJQANCHMSA-N 408.506 1.505 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)[C@@H](C)CC 1722376844 FIHYZWNYMPIKHZ-JTSKRJEESA-N 418.505 1.791 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1722384384 VQLJBRZULBPPKV-IRXDYDNUSA-N 412.519 1.027 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1722566604 VLFUQKRRBMJDLW-JKSUJKDBSA-N 409.556 1.641 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722647570 MFEFNNHMDYSCSY-IBGZPJMESA-N 406.508 1.071 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCOCC1 1722681349 KBWMVJHZHGDHBT-GOSISDBHSA-N 407.559 1.922 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1722692263 YCOKOXSQTZMAON-UHFFFAOYSA-N 403.531 1.432 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1722700171 YSFCXRYQGXHNMT-UHFFFAOYSA-N 414.510 1.751 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCOC(C)(C)C1 1722700992 BXDRKAWRXPMJIF-UHFFFAOYSA-N 413.522 1.989 30 10 HDEE CC(C)OCCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1723729621 MJRMMFGRKWHHRI-KRWDZBQOSA-N 414.510 1.842 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1726448822 MDYRXIKMEDYPMH-INIZCTEOSA-N 412.494 1.558 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2csc(O)n2)CC1 1739625790 ARWDGFZRBMXVRI-VUBIOHBQSA-N 401.488 1.339 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740593121 SZUHPYDITOKTGE-HXUWFJFHSA-N 421.549 1.420 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CC(=O)N(CCOC)C1 1740654292 HQHSNAJJKXOGDA-FQEVSTJZSA-N 420.517 1.222 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1740713525 HQMJIXMWOZQBHU-UHFFFAOYSA-N 422.532 1.521 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C)C1CC1 1740910765 SEBRELULGGGYPB-GVDBMIGSSA-N 409.556 1.983 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1740936671 FGIYLVNXKSIMCR-UHFFFAOYSA-N 420.558 1.264 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CSCCS2)C1 1740981376 VSASDALJSULPRN-KFWWJZLASA-N 409.581 1.859 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741725921 QVMLYWWGUOQBKM-VLIAUNLRSA-N 414.466 1.143 30 10 HDEE CCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1746449095 RJTKEFVBFPTGLQ-MEUCICPISA-N 413.526 1.602 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1748640389 UKJDIGJBDUUHOQ-JKSUJKDBSA-N 410.588 1.468 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748678451 TXPZICJKNNCPIG-NVXWUHKLSA-N 422.455 1.985 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1748713656 CXBBQNVWUZPFFZ-QZTJIDSGSA-N 420.521 1.962 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC1CCCCC1 1748784826 HRZXHPFQXAGCDJ-UHFFFAOYSA-N 412.494 1.914 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC1CC1 1748789026 GRWPBLOWHVWIQH-SFHVURJKSA-N 416.503 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1748835432 BRMFLYLBKFBSOV-ZHRRBRCNSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1 1748864162 RUKVBUUJDDURMO-HZPDHXFCSA-N 409.581 1.637 30 10 HDEE C#CCN(CC)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748907269 INQSLEBBFZODIB-WIYYLYMNSA-N 416.547 1.829 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCSCC)CC1 1748987022 OUJCIMFJZJSGGO-UHFFFAOYSA-N 416.551 1.904 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749676264 KDXJILOUODRSNT-WBVHZDCISA-N 409.494 1.026 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C2CC2)CCOC1 1751015314 KCLJPTFAQWSFFR-NRFANRHFSA-N 416.526 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760123943 DCOZZJVZITXZIV-AZUAARDMSA-N 422.533 1.936 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760135745 HHQONXRUUWVNMC-QGZVFWFLSA-N 416.551 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1nnc2n1CCCCC2 1760246591 VLQSIOSRYQLAMC-UHFFFAOYSA-N 406.494 1.792 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1760272061 XDMDRWHZWZMJJW-KSFYIVLOSA-N 401.555 1.994 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760378956 CZZSQDMBXBUBRL-BEFAXECRSA-N 409.918 1.927 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760509764 GUTVRJIOWILNIJ-IUODEOHRSA-N 404.496 1.260 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1760523929 LBRHNXMYSOEIKR-UHFFFAOYSA-N 401.515 1.186 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCOCC2)CCOC1 1761273882 IZMHFMOWZOWBIR-OXQOHEQNSA-N 407.515 1.599 30 10 HDEE Cc1nnc(N(C)Cc2ccccc2[N+](=O)[O-])n1CCN/C(O)=C1/N=CC=CC1=O 1762515917 PHHZBAGCILXMEU-ZCXUNETKSA-N 411.422 1.658 30 10 HDEE C[C@H]1COCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763222212 HMXBWZNWNULKDC-DNTCVELPSA-N 423.477 1.015 30 10 HDEE CCc1cnc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)s1 1764570551 HGJMVBAEBWRKAY-MSUUIHNZSA-N 401.496 1.768 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1765635315 HPRWZSSXDLACCL-MRXNPFEDSA-N 411.510 1.110 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(OC)c(OC)c(OC)c1 1766427302 BFGXBCGMIASJCN-OAHLLOKOSA-N 417.466 1.617 30 10 HDEE CCOCc1nnc(N2CCS[C@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766447263 ZZONTVVIDCTOEA-MGPWXQLLSA-N 420.539 1.673 30 10 HDEE CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1767804340 GWBAGXHAWHXPOX-GOSISDBHSA-N 420.477 1.264 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC=C)Cc1cccc(C#N)c1 1772566403 VOFJTXREEWEQOQ-GOSISDBHSA-N 419.489 1.596 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CCS(=O)(=O)C1 1848757113 OXUXGAIRFQOKEY-RBUKOAKNSA-N 423.531 1.473 30 10 HDEE COc1nc(I)ccc1OCC(=O)N1CCC(C#N)CC1 1848912865 JKJVPKULGXAEOS-UHFFFAOYSA-N 401.204 1.836 30 10 HDEE COc1ccc(-c2cccc(S(=O)(=O)NCC#CCN3CCOCC3)c2)cc1 1849342404 ROOXSDKXOFOUDJ-UHFFFAOYSA-N 400.500 1.976 30 10 HDEE CC(C)N(CC#CCNC(=O)C1CN(C(=O)COc2ccccc2F)C1)C(C)C 1850078172 WUWHIBWKKLECSJ-UHFFFAOYSA-N 403.498 1.901 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1852033066 DYUFRWDUEJPWMD-OAQYLSRUSA-N 406.438 1.823 30 10 HDEE COc1cccc(C#N)c1OCC(=O)Nc1nc(Cl)cc(N2CCN(C)CC2)n1 1852465630 OVBVDXDWBFMQTR-UHFFFAOYSA-N 416.869 1.780 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2c(=O)oc3ccccc32)CC1 1852514229 UEUSKGRFBUKAOU-UHFFFAOYSA-N 407.430 1.227 30 10 HDEE CN(C(=O)c1cnn(C)c1Br)c1snc(N2CCOCC2)c1C#N 1852752469 SIMCEZJZVVHNHI-UHFFFAOYSA-N 411.285 1.624 30 10 HDEE Cn1c(O)nc(N2CCN(CC(C)(C)C(=O)Nc3ccc(CC#N)cc3)CC2)cc1=O 1852766518 BKUVTYTWVPGZMW-UHFFFAOYSA-N 424.505 1.339 30 10 HDEE O=C(NCC#Cc1cccnc1)c1cc(Br)cnc1N1CCOCC1 1852771722 VYCGFKJHAZNJND-UHFFFAOYSA-N 401.264 1.857 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(COc2cccc(C#N)n2)CC1 1852982806 QXLMXJBNKROVBH-KRWDZBQOSA-N 406.508 1.385 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC2OCCO2)C2(C)CCN(C)CC2)CC1 1853420175 BDWSQQZNPOZCEA-UHFFFAOYSA-N 401.529 1.449 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2sc(C)nc2C)C1=O 1853682621 NYXVVBQAULTWNV-HOTGVXAUSA-N 404.536 1.539 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O)n1cncn1 1853774130 VJMHUDQAVGAICS-PKOBYXMFSA-N 406.490 1.914 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cn(CC)nc2C)C1=O 1854191345 VYZVOARKADZEKD-MSOLQXFVSA-N 401.511 1.451 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)CCC1=O 1854357519 ZHTVURWVQUJGFF-YJBOKZPZSA-N 421.494 1.666 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3cccc(=O)o3)C2=O)C1 1854799540 RIMRCNXRZQXXPH-MRXNPFEDSA-N 408.414 1.191 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(CCc3ccnn3C)c3ccccc32)CC1=O 1855451265 IGYQIQPCRKAROY-INIZCTEOSA-N 407.474 1.377 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CC(C(=O)N4CCCC4)C3)CC2=O)cc1 1856129061 SEAXDLKAYUGLFZ-IBGZPJMESA-N 408.502 1.420 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1857490991 XGMZCHYMDLVEQS-LJQANCHMSA-N 419.547 1.723 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860959383 DFBOLPGNJDWYAT-KBXCAEBGSA-N 406.442 1.813 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)n(C)[nH]1 1870004091 UDYOBLLSBVLFDS-HNNXBMFYSA-N 424.461 1.105 30 10 HDEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870370742 FNULIWZJBPWERG-UHFFFAOYSA-N 405.495 1.421 30 10 HDEE CN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 1900398822 UGYQOLOZJNCMMY-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)C1 2010403785 JRRRMZVIEWVSIQ-HUUCEWRRSA-N 421.347 1.746 30 10 HDEE C#CCN(CC(=O)NCCc1nnc(Br)n1C)C(=O)OC(C)(C)C 2012960998 KEOBXPMETNIOAG-UHFFFAOYSA-N 400.277 1.107 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)O 2151776228 OIZGJLGNRSIWPS-CYBMUJFWSA-N 417.871 1.858 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCOCCC12CN(C(=O)OC(C)(C)C)C2 2174781571 HETYTIPHYKQYMG-HNNXBMFYSA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2174788210 BZBMNXBENMDOGT-QDXKXIGTSA-N 414.509 1.655 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)COC1(C)C 2174789960 XGWUQLOPLOJCAE-KBPBESRZSA-N 402.517 1.428 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H]2COC[C@@H]12 2243429703 GVVRFKUILZNMKO-ZNMIVQPWSA-N 406.288 1.372 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@H](O)C3)cc2Cl)OC1(C)C 2267356470 YJKVZFIGTWFAPG-ZJUUUORDSA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N=c2nc[nH]s2)OC1(C)C 2267470904 CMOYWQVYQQBGEM-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]3C(=O)O)cc2Cl)OC1(C)C 2269027638 CHXNSXVGLRFJLP-VXNVDRBHSA-N 407.706 1.452 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281959521 NSJJOXCWEYGPFR-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](CO)C[C@H]3CO)sc2Cl)OC1(C)C 2281961788 QRLIHRGECXUGPK-MNOVXSKESA-N 401.721 1.516 30 10 HDEE CCO[C@@H]1C[C@@H](N)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281968806 GFKZAHIRXXEKHJ-WZRBSPASSA-N 400.737 1.935 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4NCC[C@@H]43)cc2Cl)OC1(C)C 2282314075 UJEWVDMFBFAXSG-MVWJERBFSA-N 418.777 1.729 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3NC[C@@H]4C[C@H]43)cc2Cl)OC1(C)C 2282320400 HZLVHJYLRVVOQR-UMNHJUIQSA-N 418.777 1.587 30 10 HDEE CC[C@@H]1NCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282420025 UDTZZAAJZHEDTR-UONOGXRCSA-N 400.375 1.607 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282506126 NRFVKPLVOHMSDP-INIZCTEOSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCN3CCOC3=O)c2Cl)OC1(C)C 2282646761 SGYRYEAYTKNLBQ-UHFFFAOYSA-N 400.693 1.883 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NN2CCOCC2)OC1(C)C 2282829101 ZPOMJUPHTGZILP-UHFFFAOYSA-N 402.709 1.165 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282841451 UTQPOYHAEWRSBP-WDEREUQCSA-N 421.777 1.950 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@]2(C)CCCNC2)OC1(C)C 2282843114 IKHNDCYWPJQCSR-KRWDZBQOSA-N 400.375 1.609 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCONC2)c1B1OC(C)(C)C(C)(C)O1 2282867010 RXLCRBYEOILNFG-LBPRGKRZSA-N 402.347 1.236 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)CC(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282872330 VBLOCNXXXCKHHN-VIFPVBQESA-N 402.347 1.206 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@](C)(CCO)C2)OC1(C)C 2282874832 GXYYVWWPNGFVMK-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CCC(O)CC2)OC1(C)C 2282876698 HPHMEUMNYQYDKL-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)[C@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284413136 HCKDIVJOZJRRFJ-ONGXEEELSA-N 407.294 1.445 30 10 HDEE COCC1(NC(=O)OC(C)(C)C)CC(NCCC#CBr)(C(=O)O)C1 2305986771 PUCNEZSQJSMUHL-UHFFFAOYSA-N 405.289 1.849 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccco1 2330748494 VPTDGZSNQFWODA-UHFFFAOYSA-N 405.465 1.577 30 10 HDEE CCc1csc(C#C[C@H](O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338650070 ZEMPXSGJJJBTKS-KGLIPLIRSA-N 402.538 1.746 30 10 HDEE COC1(C#C[C@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363524102 DILAEMQFXIGDRG-HOTGVXAUSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C(C)(C)C 2365198378 FPVPOYKGRHMOBM-TYILLQQXSA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365202522 FJZRVBHNZNVPAM-MOPGFXCFSA-N 401.525 1.828 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365202893 GRSKYSNYUYAJGR-OWCLPIDISA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCCCNC(=O)OC(C)(C)C 2367819390 SKAGCDUQXUJNAE-CRAIPNDOSA-N 402.557 1.601 30 10 HDEE O=C(CS(=O)(=O)C/C(O)=N/c1nncs1)Nc1cccc(Br)c1 49620267 QZZSSKZGCCQDLM-UHFFFAOYSA-N 419.282 1.942 30 10 HDEE N#C[C@@H]1CNCCN1S(=O)(=O)c1cc(Br)sc1Br 97999153 WDUIXWHJWSKYTR-ZCFIWIBFSA-N 415.132 1.759 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)n1cnc(C#N)n1 409951870 WNYYEYAMYYPTNN-WCQYABFASA-N 406.368 1.647 30 10 HDEE COc1cccc(-c2cc(NC(=O)C(=O)N(CCC#N)CCCN(C)C)n(C)n2)c1 438757438 LLUTZOCKXYSVBR-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C 440375518 DFDFGDJGXIPETQ-UHFFFAOYSA-N 423.494 1.375 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 460930302 HMEKGKDQTLHNGX-CQSZACIVSA-N 403.574 1.376 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)NCCN(C)C 476535092 ONMDYDMYODNEQR-HNNXBMFYSA-N 400.932 1.582 30 10 HDEE Cc1ccc(NC(=O)COc2cccnc2C#N)cc1S(=O)(=O)N1CCOCC1 477057549 JBTPIEOIKALVSG-UHFFFAOYSA-N 416.459 1.300 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)c(F)c1 481488152 AELODAKLQRKVEF-UHFFFAOYSA-N 402.386 1.694 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)c(F)c1)c1ccc(OC)cc1OC 489650828 SZTXLZNYOYFPJB-KRWDZBQOSA-N 408.407 1.907 30 10 HDEE Cn1cc(-c2c[nH]cc2C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 494898572 SRWMZGWLIKXAPR-UHFFFAOYSA-N 424.486 1.434 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 503978916 SARBONJNSBYKSC-IBGZPJMESA-N 411.506 2.000 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nn1CCC#N 504278488 CQDOZFXGULUWEC-IBGZPJMESA-N 406.446 1.519 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 507346581 CAIMNUFLUFROGQ-UHFFFAOYSA-N 408.524 1.783 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508638216 NXYFUHOKAMBYJK-WBVHZDCISA-N 404.492 1.130 30 10 HDEE CCc1nsc(N2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 513787128 UCASAKMNLPELAY-UHFFFAOYSA-N 405.549 1.958 30 10 HDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 524575178 GMKHJLNFZPNWFW-RDJZCZTQSA-N 422.526 1.699 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCCc2ccc([N+](=O)[O-])cc2)CC1 525355248 XDMZVACXAXJEND-UHFFFAOYSA-N 403.483 1.547 30 10 HDEE Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@@H](C)n2cnc(C#N)n2)c1C 539505824 ONNRUGZXCRBBNX-IAGOWNOFSA-N 410.478 1.974 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCO2)c2ccccc2c1=O 549495193 KDLATUMZTDDJTJ-CABCVRRESA-N 421.461 1.100 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](N3CCOCC3)C(F)(F)F)cc2C1=O 557146789 WFXQWOLEQRLYBL-HNNXBMFYSA-N 411.380 1.462 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 560977400 CLRJSNXPZRIHBH-MRXNPFEDSA-N 418.523 1.033 30 10 HDEE N#Cc1cccc(C(=O)[C@@H]2CNCC[C@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 585837351 DZBTUHKNDXVBJT-QZTJIDSGSA-N 423.385 1.965 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)cc1)[S@@](=O)CC(=O)N(C)CCC#N 586279874 INMZZSOWCIAHJC-RULNZOCKSA-N 400.298 1.897 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(F)(F)F)OC[C@@H]1C 587405110 KPFQPSYUYMOFMS-MJVIPROJSA-N 405.398 1.403 30 10 HDEE C[C@H](NC(=O)N1CCN(c2cc(C#N)ccn2)CC1)c1ccc(S(N)(=O)=O)cc1 603505326 KIMDTNVDIYOBLG-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669816749 BPJYVIOHSGHOGH-HNNXBMFYSA-N 424.461 1.375 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)ccc1OC 679531119 RMMAVWBRUZJAGF-UHFFFAOYSA-N 413.496 1.029 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C 727415477 QUAWOSJQSVVLPC-UHFFFAOYSA-N 409.467 1.066 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 729331997 SNAIOLMVIDUODZ-SJLPKXTDSA-N 403.504 1.579 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 729334811 VYTYWZWYIBQRQC-MJGOQNOKSA-N 420.506 1.256 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c1 731129680 ZQRHQYCBCHGCPA-UHFFFAOYSA-N 411.380 1.697 30 10 HDEE COc1ccc(C(=O)CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732156199 LDSWVUPHQREQOQ-VXPUYCOJSA-N 401.419 1.309 30 10 HDEE COc1cccc(N2CC[C@@H](CNC(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)c1 732458855 MLOYSGLMFGGLAW-CVTQAYBASA-N 413.478 1.347 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CS(C)(=O)=O)C1=O 733202773 XDBQSBGGIJSLIV-ZWNOBZJWSA-N 401.485 1.326 30 10 HDEE COc1ccc(CNC(=O)NCCCN2CCN(c3ccncc3)CC2)cc1C#N 746722158 IJMKGYUUMRQTAR-UHFFFAOYSA-N 408.506 1.973 30 10 HDEE COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 749648039 XKXKBHVWLDXTJT-CQSZACIVSA-N 421.295 1.903 30 10 HDEE C#CCN(CC#C)C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 752150331 NPZVZSXWIGBNER-UHFFFAOYSA-N 406.299 1.801 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1 755935565 DWKBACBBDQVDPE-KRWDZBQOSA-N 407.522 1.711 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[C@H](C)CS(C)(=O)=O 757983015 CJYZZARFLSAGBQ-XOBRGWDASA-N 420.487 1.375 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 758481513 UBKVQZVIMBBXLA-XIRDDKMYSA-N 413.478 1.850 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2C)n1 763793175 ITDBOSOGMGLXGZ-UHFFFAOYSA-N 404.430 1.932 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCOCC2CCC2)C1=O 764940335 OTVMQFHESIRWBW-HNNXBMFYSA-N 406.508 1.975 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769640557 XKIRVWLYEZQSEA-UHFFFAOYSA-N 410.543 1.999 30 10 HDEE C#CCN(C(=O)NC[C@@H](OC(C)C)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 771371982 MMAROUZKAXIJRF-VQIMIIECSA-N 408.520 1.993 30 10 HDEE C=CCOCCN1C(=O)[C@H](CC(=O)NC)SC1=Nc1cccc(NC(C)=O)c1 779755001 ROHLNPDNBDIGBP-INIZCTEOSA-N 404.492 1.915 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1S(C)(=O)=O 780207447 VBOCJQLKXGLZLL-YVEFUNNKSA-N 402.428 1.566 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 780597422 AZICHKVMZJXPFY-UHFFFAOYSA-N 409.537 1.432 30 10 HDEE C#CCN(C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@H]1CCS(=O)(=O)C1 781480304 HOXAQFCLXQHQLQ-ZDUSSCGKSA-N 401.423 1.537 30 10 HDEE Cc1cc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 782850141 UQTPRWYKUZUTGC-UHFFFAOYSA-N 403.460 1.433 30 10 HDEE C=CC[C@@]1(C(=O)NCC2CN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790929536 UTHPHLSHBPTLIE-SFHVURJKSA-N 401.529 1.340 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 792657624 DZFNVMMQQDRJCI-RURPWVQCSA-N 403.442 1.243 30 10 HDEE Cc1ccc(CN(CCO)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)o1 794315135 UFYTYIOEPWHCFK-ZDUSSCGKSA-N 405.476 1.426 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)c1 796551146 SODAHDUDBKDMOH-ZWKOTPCHSA-N 421.519 1.702 30 10 HDEE Cn1cc(/C=C/C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O 803556907 UABIZCBDTKMFCG-GQCTYLIASA-N 412.421 1.178 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)c1 810165696 YYXQYMRKWYMDCC-VLNQKBQUSA-N 406.508 1.877 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCc2ccccc2S(C)(=O)=O)cc1 810935262 COZKUPIPAVHRFX-UHFFFAOYSA-N 409.485 1.911 30 10 HDEE COCc1nc(Cl)cc(NN=Cc2c(Cl)nc(N)nc2N2CCOCC2)n1 814976677 ZZTCFUPRESMDNC-UHFFFAOYSA-N 413.269 1.585 30 10 HDEE Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)ccc1F 816695228 XXZYQSQIUANXJZ-INIZCTEOSA-N 407.423 1.655 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCc3nnc(C(F)(F)F)o3)n2N)cn1 1083891773 UXNWPCBLTWZFIN-UHFFFAOYSA-N 416.393 1.909 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cccc(Br)c2C)C1=O 1133366878 BJSFZGHLMYYRSX-UHFFFAOYSA-N 408.252 1.393 30 10 HDEE COC(=O)[C@H](CNC(=O)Cc1ccc(C#N)nc1)Oc1ccc(Br)cc1 1140430589 RWTSXMXKFHBTHX-INIZCTEOSA-N 418.247 1.995 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1144027904 RKVGAVCIJJRQFN-SFHVURJKSA-N 422.570 1.600 30 10 HDEE Cn1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc2cc(Br)cnc21 1144429019 KCTNGUAJUGSPEI-SAPNQHFASA-N 418.251 1.592 30 10 HDEE CC(C)N1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1153801937 CWYDKFWKJPFWPP-IBGZPJMESA-N 418.563 1.948 30 10 HDEE Cc1ccnc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1162295502 ICGSQSMWWHKWRM-OAHLLOKOSA-N 401.492 1.555 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cn(C4CCC4)nn3)C2=O)cc1 1164175252 CVUMEQAWRIUXJC-KRWDZBQOSA-N 407.434 1.396 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 1166357525 IACLYPJJHDOLSQ-AZUAARDMSA-N 413.499 1.461 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1 1167317776 JCOPZBYDSTTYGK-DXUUPGOYSA-N 410.474 1.760 30 10 HDEE CC(C)CN(C(=O)CN(C)[C@@H]1CCC[C@@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1175251822 YKTMDDUPIQBFLF-HZPDHXFCSA-N 418.542 1.800 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C)cc3)cn2)CC1 1175515384 ZKXRBWLGLIPYPX-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nc(O)cc(=O)n2CCOC)c1 1190210614 OUEUXKDEIKJZON-UHFFFAOYSA-N 402.432 1.017 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)[C@@H]1CCCO1 1219299490 MAGFVAAFKIBFLT-CJNGLKHVSA-N 410.396 1.944 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)Cc3cccc(F)c3)C2=O)cc1 1227630403 AZUOSGJEBPOJRK-UXHICEINSA-N 410.449 1.701 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1230746648 OYDSEZMNTVZZLL-BZUAXINKSA-N 415.556 1.922 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(C)(=O)=O 1286284661 GBKJNTZNHQZTCC-AWEZNQCLSA-N 400.508 1.444 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1c(CC)nn(C)c1OC 1286359436 VZYWBAYJUYJPTO-UHFFFAOYSA-N 401.515 1.619 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1286433115 LBXKNSLPUJBSSB-UHFFFAOYSA-N 403.527 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1286438353 YBSZTFOZIGTAEO-LPHOPBHVSA-N 410.540 1.357 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CC1 1286478643 HUXNCPNOSDPUMQ-HXUWFJFHSA-N 413.497 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCCC2)CC1 1286490452 VJEBVXAHEFIELW-SFHVURJKSA-N 423.565 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1286817790 XZIIDZPKFKZBQU-INIZCTEOSA-N 418.523 1.046 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1286825603 TYJQGQQFSFFWPR-BXWFABGCSA-N 412.556 1.623 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286825748 WPAFTYZENDOEDJ-HZPDHXFCSA-N 418.567 1.681 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286875770 KBUZBERNZFQZKX-KRWDZBQOSA-N 416.432 1.909 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1287248674 FWBZYQCWFSSPTJ-KRWDZBQOSA-N 407.482 1.925 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@H]4C3)CC2=O)cc1Cl 1289377746 XMBUOPDOAXESQA-MELADBBJSA-N 407.879 1.068 30 10 HDEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCN(C(=O)CC#N)CC1 1294721166 DJTQHYLKOQLDLP-HKUYNNGSSA-N 414.506 1.113 30 10 HDEE CCN(CC)[C@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1295375086 YWZOBXWPMYMWTE-HUUCEWRRSA-N 415.498 1.465 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)c1cccc(OC)c1)c1cc[nH]n1 1295441034 IGFJVSPYAUIKJX-UHFFFAOYSA-N 402.451 1.796 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)n1 1296253117 DWOIVMLDVBXVHY-ZWKOTPCHSA-N 406.377 1.792 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1297118811 BIUKINPJFBNWDF-UHFFFAOYSA-N 418.523 1.511 30 10 HDEE CN(Cc1cscn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1298433778 ZBJUGKNCNDNJHA-FBMGVBCBSA-N 424.490 1.893 30 10 HDEE CNS(=O)(=O)CCn1c(N(C)C[C@H](C)C#N)nnc1C1(c2ccccc2)CCC1 1299323340 NMPHTEIILLUEAM-MRXNPFEDSA-N 416.551 1.893 30 10 HDEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)CN1CCO 1299563470 LXUPLIFKGHLZEK-ZIAGYGMSSA-N 421.339 1.670 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC(=O)NCC2CC2)c1 1300331941 UVHFCTVUKGXDNF-UHFFFAOYSA-N 408.506 1.984 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1300429810 CRWKDEFDTZSALX-NEPJUHHUSA-N 412.541 1.170 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccc(C(N)=O)nc1 1300459876 JVQVXGYTUSOUHT-UHFFFAOYSA-N 412.457 1.742 30 10 HDEE C#CCN(c1nnc(CC)n1CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1300499524 UAIJMSCEOHWSHT-INIZCTEOSA-N 419.482 1.245 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)C2CC2)CC1 1300719697 MKPAOSPEDZSJMK-JOCHJYFZSA-N 408.506 1.467 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1300731929 ITPZUZLDUYYPIH-UHFFFAOYSA-N 420.583 1.477 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301049738 VUHHQTYIXBFXMD-QGZVFWFLSA-N 423.452 1.458 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301577886 UFBFFKDJJXDAKF-HDICACEKSA-N 418.519 1.670 30 10 HDEE CC(C)SCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1303578510 IAKRHMVUCPRKAL-XJKSGUPXSA-N 401.533 1.764 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCSC1 1303642046 GBWJFHCWRCDCKE-FZKQIMNGSA-N 420.564 1.876 30 10 HDEE C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1)N1CCOCC1 1303706994 GFZUPSITWWEVIS-KRWDZBQOSA-N 418.505 1.964 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1303762042 RXGCCXRIXJTICH-MRXNPFEDSA-N 401.492 1.632 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(F)cn1 1306199559 HTDWVKPYYPNFKY-AWEZNQCLSA-N 407.457 1.800 30 10 HDEE Cc1c(S(=O)(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)sc2ccc(C#N)cc12 1309811530 CNAOXYGTVOISJO-UHFFFAOYSA-N 414.472 1.633 30 10 HDEE CN1C[C@H]2[C@@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)CC[C@H]2C1 1313425730 WEHYROYNSBLLNA-IPELMVKDSA-N 407.522 1.898 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1 1358084492 DOKOIQPVJRTBDM-ULDLJNOVSA-N 422.507 1.251 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2ncn(C)n2)c1 1358903092 KXMYZRKTTKVOLN-UHFFFAOYSA-N 404.478 1.464 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1358945478 IMEBSULBXCOABT-NVXWUHKLSA-N 402.524 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1-n1cccn1 1358968493 NJQGZWLFIYNNMF-UHFFFAOYSA-N 402.462 1.118 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1359002267 TYNRTFZRSGTLDN-NRFANRHFSA-N 413.526 1.756 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1359054365 SOBXGDPHOTYVKX-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359309461 SLSLZXGCEORGLO-FQEVSTJZSA-N 424.549 1.942 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CC2)C1 1359322327 TVCLUVGMOCBYQD-ZSZQSSIHSA-N 410.540 1.123 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1359323693 VFKXKHLNGGHDRN-ZWKOTPCHSA-N 410.522 1.960 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1359374436 CKSZFKDYEROUIR-UHFFFAOYSA-N 418.505 1.852 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1359780376 UERUSNRSLUXCCE-KRWDZBQOSA-N 409.494 1.973 30 10 HDEE Cc1c(C(=O)N(C)CC(=O)Nc2ccc(Br)cn2)cnn1CCC#N 1359835276 DBHMIMDBSRZLQR-UHFFFAOYSA-N 405.256 1.973 30 10 HDEE C#C[C@@H](NC(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)NC(C)=O)C1CCOCC1 1437873570 JFIFEVQDKHDBCE-XMSQKQJNSA-N 402.491 1.686 30 10 HDEE C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439617288 TXQOQHGTJAUYLH-RBOXIYTFSA-N 402.394 1.869 30 10 HDEE COCCOC1(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1449797838 LQSLYVUYGGHPJR-UHFFFAOYSA-N 424.538 1.965 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 1455018301 WIMWNAOXWOPAPX-INIZCTEOSA-N 419.425 1.434 30 10 HDEE C#CCN(C(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)C1CCN(C)CC1 1456167673 BZYOZBUMRQCJQV-UHFFFAOYSA-N 418.542 1.753 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)c1 1456714260 RKTVSWMUNXHMTK-OYRHEFFESA-N 405.516 1.471 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@H](C#N)c2cccc(Br)c2)c1=O 1458447481 LVHUTGZYYWNEBK-CQSZACIVSA-N 404.220 1.778 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2nc(Cl)ccc2Cl)c1=O 1459213446 XXQLHSIWDRARTH-UHFFFAOYSA-N 411.245 1.973 30 10 HDEE CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1462998543 NRRFEQAROAFYRO-ZTENYAIWSA-N 411.524 1.419 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)c1 1464192914 CTZCOTJOAKHTRZ-UHFFFAOYSA-N 414.325 1.806 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(-n4ccnc4O)cc3)C2=O)cc1 1467705368 BWDRAHZWURHXFW-IBGZPJMESA-N 401.426 1.980 30 10 HDEE C#CC1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 1468753002 VMERURSVRROGFY-UHFFFAOYSA-N 404.536 1.178 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)OC 1471123674 GULMSSKYUCXICF-NVXWUHKLSA-N 410.492 1.382 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(O)nc3ccc(S(=O)(=O)N(CC)CC)cc23)C1 1471606913 JOEPLIFWISUIKY-UHFFFAOYSA-N 405.451 1.768 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCOC1 1472399379 HSLPFNAZDYANHK-ARFHVFGLSA-N 411.499 1.906 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1479095519 KRIIKFYHLPASNN-HNNXBMFYSA-N 411.499 1.609 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1505319967 PQQJEKPADQKTFF-RTBURBONSA-N 424.461 1.263 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507622798 LZZJDYDBTBSJLR-JXFKEZNVSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccco1 1507660912 HMNBLMHBOHOEJT-VXKWHMMOSA-N 412.490 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c[nH]nc2c1 1507712965 UWIPWJVFXHJKKJ-KRWDZBQOSA-N 407.478 1.434 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1508039543 ZBQWIIMVSGKJBW-UHFFFAOYSA-N 424.505 1.738 30 10 HDEE C=CCC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCOCC1 1515265124 QJWCMJGHAWVROE-UHFFFAOYSA-N 422.547 1.838 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1516217442 ACFXBZIXDKOOSK-RXVVDRJESA-N 413.478 1.607 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21)OC 1518724405 DKSQTNXZRYELMO-GBESFXJTSA-N 424.505 1.726 30 10 HDEE C=CCC(F)(F)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1519887080 NFLCZIJIWXRRST-UHFFFAOYSA-N 403.451 1.923 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)cc1 1532282287 QZUYOTSLKVBEOQ-HNNXBMFYSA-N 413.455 1.642 30 10 HDEE COc1nc(C)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1536179076 BAKYYKRXDXGOCF-BONVTDFDSA-N 414.281 1.172 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539001939 MNVSUUYSPRROTB-HOTGVXAUSA-N 418.509 1.694 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)N(C)C)CC1 1539461580 HYPZHMOYDALGDC-SFHVURJKSA-N 412.538 1.571 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1539674442 VVYVCAWRPCHTLW-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C(=O)N(C)C)CCCC1 1540047699 KGJMEGJAOAUVDE-CQSZACIVSA-N 412.560 1.159 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCS2)C1 1540893076 WNBNDFTZVIHZCZ-ARFHVFGLSA-N 412.581 1.857 30 10 HDEE CC(C)C[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1541411867 FEIOIWANBGVQDW-UZLBHIALSA-N 405.522 1.932 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@@H]1C 1555167974 LLLXKEKPABUWBJ-YOEHRIQHSA-N 403.508 1.723 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(F)(F)C1 1556022497 IHBRPINVZPFPFS-ZLUHGAPXSA-N 408.409 1.154 30 10 HDEE COCn1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1557136609 GPTASDDQCFMUPB-UHFFFAOYSA-N 405.480 1.725 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cnc4ccccc43)cc2)CC1 1558073693 XQSPEFHWPZCKOO-UHFFFAOYSA-N 423.498 1.251 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 1558329037 JMDSGEIQMILNGL-AWEZNQCLSA-N 400.464 1.702 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cncs2)Cc2cncs2)C1=O 1558586525 UKSXACVKBMLQEF-UHFFFAOYSA-N 405.461 1.105 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 1560035080 LZHRSLGMDWTZGH-HNNXBMFYSA-N 402.476 1.721 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCc1cccc(S(=O)(=O)NCC)c1 1564067218 DCMSXLMCKUAUMB-UHFFFAOYSA-N 401.488 1.996 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)n[nH]2)c1C 1566199168 CAHUVMBMFGANKW-OAHLLOKOSA-N 400.483 1.476 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCCC3)CC1 1568701357 MYTREZGOLSVIOR-GOSISDBHSA-N 418.538 1.060 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)c3cnn(CCC#N)c3C)C2=O)c(OC)c1 1568755529 WRVORJSBISDYGQ-SFHVURJKSA-N 411.462 1.653 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1583811281 BEFNEVWXMUABJV-LJQANCHMSA-N 403.442 1.747 30 10 HDEE Cc1nc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)nn1-c1n[nH]c(C(F)(F)F)n1 1583812601 ZNEZFZADKATHND-GFCCVEGCSA-N 420.355 1.390 30 10 HDEE CCCN1C[C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1584195930 VCCIWDFSVXGLBL-DOTOQJQBSA-N 411.462 1.138 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3cc(S(N)(=O)=O)oc3Cl)CCOCC2)c1 1584876816 VPZACYAPVGATRJ-UHFFFAOYSA-N 409.851 1.888 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1585217905 FMHCIHCMCQGXQO-SJLPKXTDSA-N 407.426 1.517 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1587620303 BZLDLENYDIVKGY-AWEZNQCLSA-N 416.489 1.740 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1F 1587909780 SUJQUJDHOQKNPX-OAHLLOKOSA-N 422.530 1.623 30 10 HDEE C[C@@H](CC(=O)N1[C@H]2CC[C@H]1CC(CCO)C2)/N=C1/NS(=O)(=O)c2ccccc21 1588082584 UCLGLURCQKULOP-BPUTZDHNSA-N 405.520 1.656 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1588128609 PRJBVJHGTIODIL-HXUWFJFHSA-N 413.485 1.595 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C(C)C 1588200374 NEGAVWTWDHZOIC-QFIPXVFZSA-N 418.505 1.791 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1589060044 MWVMZFPPVNANAF-HNNXBMFYSA-N 411.597 1.678 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1593884032 AVLMRQZRAAPCGN-LLVKDONJSA-N 413.878 1.455 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1595500990 IHKSIGPMVSWYAB-QGZVFWFLSA-N 417.535 1.433 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C)CC1 1595523367 VGHKQHKZOIAHLQ-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCCN3Cc3cccc(F)c3)C2)c(=O)nc1O 1607497945 OBIKKUSEZBSNGA-GOSISDBHSA-N 411.437 1.398 30 10 HDEE CC1=CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1612332022 DREJRTWWYZGGHH-CZIZESTLSA-N 407.478 1.966 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 1618199697 WYIVEXINRCPHQK-INIZCTEOSA-N 409.508 1.981 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1620158094 SGTMXCKGXKRVTL-XJKSGUPXSA-N 405.480 1.308 30 10 HDEE N#CC1CCN(c2nnc(-c3cccnc3)n2CCN2CCCS2(=O)=O)CC1 1620353125 GDYLSWRJNIRUNN-UHFFFAOYSA-N 401.496 1.116 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CN3CCNC3=O)CC2)c1 1622623734 VVIJPNXIDGRUHT-UHFFFAOYSA-N 406.508 1.028 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2Cc3ccc(C#N)cc3C2)s1 1627600887 XPIVBVSIISBRDI-UHFFFAOYSA-N 418.500 1.077 30 10 HDEE C=CCC[C@H](NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OCC 1627753236 YVXPCWOOZJHPDN-FZKCQIBNSA-N 410.536 1.907 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)(C)C)c2ccccc2)CC1 1628504129 ARDMBLPAKLQORA-SFHVURJKSA-N 406.552 1.959 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@](C)=O)CC1 1629670245 UJGNWGUYAGCXJH-OQRWROFFSA-N 401.573 1.759 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(n3nncc3I)CC2)nc1 1632921253 DRGSVFHVTKTDNQ-UHFFFAOYSA-N 408.203 1.627 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1633297464 RPLOYZDLEHMVOQ-OLZOCXBDSA-N 417.915 1.806 30 10 HDEE C=CC1(CC(=O)NCC(=O)NCCN2CCCCC2)CN(C(=O)OC(C)(C)C)C1 1636612493 DEMUZLHUURRWOV-UHFFFAOYSA-N 408.543 1.518 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCOCC1 1637127088 AJOWZBICQYRXRI-KRWDZBQOSA-N 424.523 1.126 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1cccc(Cl)c1 1637311591 HVQCDJFKMPWLKM-OAHLLOKOSA-N 421.906 1.488 30 10 HDEE C#CCn1cc(CNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)cn1 1640013051 WZAJIYQUTISFPO-UHFFFAOYSA-N 415.302 1.808 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1640587803 ATLFSTNIXZMDEO-SUMWQHHRSA-N 400.353 1.103 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)cc1 1641407639 NMUYMRLBQIGIIC-UHFFFAOYSA-N 406.464 1.508 30 10 HDEE O=C(Cc1ccccc1F)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1644464198 CGWYAPBTJMUNJX-UHFFFAOYSA-N 419.456 1.812 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1644465927 MDGDRFXNIQARML-QAJKGHRQSA-N 421.494 1.156 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)C1 1644638667 WZYOVABDOJVITR-AEFFLSMTSA-N 403.548 1.761 30 10 HDEE N#Cc1ccc(C(F)(F)F)nc1N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1651486903 DMYIXQAFYSDJPI-VTWZXRTESA-N 402.398 1.595 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 1651805249 FHVGAXRSQYNAKK-INIZCTEOSA-N 415.881 1.650 30 10 HDEE C#C[C@@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C1CCOCC1 1658594509 ISGVBCNITRCRNL-OAQYLSRUSA-N 419.547 1.816 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1659321668 DKHWCDIDWSZFFY-IHWTVUROSA-N 404.507 1.759 30 10 HDEE CCOC(=O)[C@]1(F)CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC12CCC2 1659388076 PFQYVFXMRYLVFE-LAUBAEHRSA-N 408.518 1.436 30 10 HDEE COc1ccc(Br)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1668250828 HVKPZOLTDDOGFK-UHFFFAOYSA-N 408.212 1.413 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)CC1 1668669140 BKWNFDLDKBVBCV-UHFFFAOYSA-N 403.508 1.031 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1669239079 APFJLBSUTLPTLS-UHFFFAOYSA-N 420.579 1.827 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)C(C)C 1675964400 PDMXDZPXHZYDKH-UGKGYDQZSA-N 422.570 1.344 30 10 HDEE CN(CCNC(=O)NCCc1ccc(C#N)cc1)S(=O)(=O)c1ccc(F)cc1 1680588445 AHGXRDYLXCIFHO-UHFFFAOYSA-N 404.467 1.860 30 10 HDEE Cn1nnc(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1680773385 MQVCYVDNQMQTIT-OLQVQODUSA-N 408.253 1.523 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1682186309 RWJFNGGIQXVUMH-MRXNPFEDSA-N 423.514 1.074 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1683106627 KHPKBUNDGLTMBF-QGZVFWFLSA-N 403.508 1.613 30 10 HDEE C#Cc1cccc(CNC(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1684334064 JXUVKFITNZISLU-UHFFFAOYSA-N 402.432 1.354 30 10 HDEE N#Cc1csc(CNC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 1684394110 REVLLEANLKLFQC-CYBMUJFWSA-N 423.495 1.806 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1684425075 KFLPYZMPJVSAAD-KRWDZBQOSA-N 423.535 1.530 30 10 HDEE C=C[C@@H](CC)CC(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1684819978 MMFLQNWYRLEFIX-WUJXOSSISA-N 400.479 1.440 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 1685901529 SWPULRIWZAWYLP-DOTOQJQBSA-N 422.489 1.297 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3cccc(F)n3)CC2)C1 1686055242 ICUPCZCFXJXKSN-LSDHHAIUSA-N 418.473 1.811 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCC#C[C@@H]2CCCCO2)C1=O 1687387883 DHQFOFZJJOVTLS-IRXDYDNUSA-N 407.511 1.581 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(-n3ccc(C(=O)OCC)n3)c2)C1 1687593155 JOJHADZHPDGZSY-SFHVURJKSA-N 409.490 1.946 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCNS(C)(=O)=O 1689863712 ZPJMRXJJLHQQDO-QGZVFWFLSA-N 419.551 1.871 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689928202 JMXRBJODDQKUES-QZTJIDSGSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1689969577 YQMGYWJYYWRJCT-GOSISDBHSA-N 417.521 1.834 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCCn1cc(CO)nn1 1689973833 RRRUUHRSYIZSQQ-UHFFFAOYSA-N 409.494 1.717 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689986711 VQLWNFXJPDHOCE-DNVCBOLYSA-N 403.508 1.128 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CC)OC)CC1 1690113505 LMRVOBGPWBKWNU-RXVVDRJESA-N 405.543 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ncnn2C(C)(C)C)CC1 1690124455 LTTXOBSOBOQKHA-QGZVFWFLSA-N 412.542 1.670 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)CC=C)CC1 1690143941 HGMFLVJBWSQKMX-KRWDZBQOSA-N 412.538 1.797 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@@H]2C)CC1 1690146824 XYOCHRNHJDCNDI-QXAKKESOSA-N 415.538 1.420 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(=O)OC)C1 1690220013 PPWLOVQWDNGLFI-OLZOCXBDSA-N 417.304 1.910 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1690300867 MJVSEEQGTSJNEN-OAHLLOKOSA-N 402.503 1.526 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1690432339 BJZSHNJMVXAMCG-HNNXBMFYSA-N 415.560 1.296 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1690523725 MUILUZQFDXOJTH-UHFFFAOYSA-N 423.521 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1705476858 GGFGQGAVIALAMD-GJZGRUSLSA-N 423.514 1.907 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OCC)CC1 1705540109 NGFOBJAZUUVEEC-IRXDYDNUSA-N 405.499 1.694 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(=O)N(C)C)c1 1705549280 OWJNQBKXIMHYLI-UHFFFAOYSA-N 406.490 1.868 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1705551174 IFQSFJWJTWSGGM-CQSZACIVSA-N 409.368 1.539 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705552125 IMEIGLAYKWXYHQ-MRXNPFEDSA-N 414.514 1.754 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705553100 TUHIIOYDOOWBNJ-XLIONFOSSA-N 405.568 1.449 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705560046 HZARAFMMLXJLJH-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@@H]1CCS(=O)(=O)C1 1705560921 OKFTUYMKYAJHOW-UZLBHIALSA-N 419.551 1.039 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1705566721 PQTZTHNHCOPRFA-QZTJIDSGSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCN(C)C 1705575809 YNTHDXYIUQBXRP-UHFFFAOYSA-N 419.327 1.687 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@]2(O)CCC[C@@H]2C)n1 1705632211 YCXJWXWWHZTHNG-LAUBAEHRSA-N 400.527 1.874 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1705704212 RHFKRKYKZGELKP-LPHOPBHVSA-N 414.510 1.549 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1705736162 MNEXPNDCEAGGQQ-KRWDZBQOSA-N 414.514 1.330 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705762101 MGSZAQJGSBKSMX-ZTFGCOKTSA-N 422.961 1.871 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1705899556 XCLWCMBXYOTHPR-UHFFFAOYSA-N 407.478 1.211 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOC[C@@H]2C)C1 1705926804 KYUKHPWDRPXGKW-ICSRJNTNSA-N 412.538 1.766 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705943217 RJHSBKDKQVFUGI-KRWDZBQOSA-N 415.567 1.955 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1707953044 UNNHQPQJSVNJKW-KRWDZBQOSA-N 405.506 1.746 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2cnn(C)c2)C1=O 1711271238 DMCXDFSBCWLUSI-FQEVSTJZSA-N 406.450 1.684 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1722283297 HZHDRNBUDYLIGF-FOIQADDNSA-N 413.551 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722381375 PGMRZWQIGNEYAL-OALUTQOASA-N 409.513 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(OCC(N)=O)c1 1722402198 RGCKAQSPLKZWCX-LJQANCHMSA-N 407.474 1.505 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccnc(SC)c2)CC1 1722429117 HOPIQLSOIRAZPV-UHFFFAOYSA-N 413.551 1.337 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722526504 XMGBFKDZGTWCMH-FXAWDEMLSA-N 402.499 1.818 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1722618995 XXUIEXMYIKVQLX-ZDUSSCGKSA-N 405.471 1.423 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1722718812 NJYFXDAXNSQMJX-DNVCBOLYSA-N 412.556 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1722724585 ANHZGQNQMBHKEG-AWEZNQCLSA-N 420.539 1.049 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(N)=O)C1 1722725153 HJAMPFOLXSIDDP-OAHLLOKOSA-N 403.508 1.166 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@](F)(C#N)C1 1723665579 HUEARBSGHISTHW-QGZVFWFLSA-N 409.491 1.053 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCNS(C)(=O)=O)cc1 1730050912 VYCDPWNTGLZFLY-CQSZACIVSA-N 406.512 1.489 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(N)=O)CCCC1 1730933934 XOHGLOWFIBTKLP-JYJNAYRXSA-N 404.515 1.644 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)C1 1731181951 RCXJNRVMHMUWLY-SFHVURJKSA-N 416.413 1.837 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)CC 1740643292 FPUAHPMTRZVQLC-UHFFFAOYSA-N 400.504 1.673 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2)C1CC1 1740906851 RXACUWLHZYFQRK-ZDUSSCGKSA-N 419.507 1.820 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1743373462 CGLAMUIYGMGEDJ-FFVXTIDOSA-N 418.523 1.598 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCCC1=O 1744646942 WBZAGQDADRPXCH-UHFFFAOYSA-N 409.494 1.778 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)CC)CCO1 1745000122 DXEAGPMCQLEZOW-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1747688056 IKOCLHCNQLNRRC-FYWRMAATSA-N 409.372 1.798 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1748319105 CTSUJAOBSIHBTH-QGZVFWFLSA-N 408.462 1.342 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748817207 GPGYSAAAXKGPNL-UZLBHIALSA-N 420.535 1.585 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749038024 MTIIZLSPYQJYDT-QGZVFWFLSA-N 418.567 1.610 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CSCCS1 1749601024 UYUWHESJGVSZJO-OAHLLOKOSA-N 411.597 1.888 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749655061 BUMMUXHSUNBFDC-MAUKXSAKSA-N 415.494 1.496 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1C(C)(C)C 1749682655 YCHWEQPXEHIYCT-FQEVSTJZSA-N 401.515 1.363 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749773419 OSECCVQSOPEGBC-JOCHJYFZSA-N 423.521 1.111 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1750060070 DAJAPZFTMDKAGV-ZIAGYGMSSA-N 406.512 1.025 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1750070236 RKJFNVDADZFNIT-LBPRGKRZSA-N 420.495 1.179 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1760098771 WVCGCTGVLSUMDR-CABCVRRESA-N 423.514 1.907 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCOC[C@H]1OC 1760199512 XMOMXIWEQDZVGL-WIYYLYMNSA-N 422.485 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(C)COCCO1 1760209228 ALGUXVFUJRSCHP-JOCHJYFZSA-N 410.474 1.744 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)cc(C)cc2C)CC1 1760260162 MVOQQDRIQJWZQF-FQEVSTJZSA-N 406.534 1.958 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1760330218 VSVLLYWDLIQKBR-CQSZACIVSA-N 414.576 1.453 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760347330 RLDIOIRPXZNVBR-IBGZPJMESA-N 415.586 1.581 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760352792 YFDZEGGMECNELE-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1760358278 TWAGYSZQEYTQEW-HXUWFJFHSA-N 419.570 1.923 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(=O)(=O)CC)CC1 1760390672 KQICVCLTXVEZCB-UHFFFAOYSA-N 419.551 1.973 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760426075 FGLJZGAODJPQFR-UHFFFAOYSA-N 412.498 1.556 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1760452262 JSEKRMYUCJBANQ-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1760457455 SNAOAHSNBZTMMV-OAHLLOKOSA-N 406.556 1.768 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1760524555 AXYXTWDEXYCTQX-QFIPXVFZSA-N 411.506 1.475 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1760571540 NZINLNWDLVLCBH-PMPSAXMXSA-N 409.556 1.623 30 10 HDEE CC(C)c1nnc(N2CCOC(C)(C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1760937514 IAYWNJSTCFTQTF-ZFDMEJTGSA-N 402.499 1.932 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCN1CCC(C#N)CC1 1850085956 MDAKSOSVHWZOAS-SFHVURJKSA-N 410.515 1.480 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1850221233 CLWCCGRXAOAZAD-SFHVURJKSA-N 424.954 1.845 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CNC(=O)c2ccccc2F)CC1 1851179739 FPXJBVJBVBYONJ-UHFFFAOYSA-N 411.437 1.188 30 10 HDEE Cc1ccc(S(=O)(=O)NC(CC(C)C)=NOCC(=O)N2CCOCC2)c(C)c1 1853464854 PPKKTZVOJAAEFF-UHFFFAOYSA-N 411.524 1.817 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccccc2F)C1=O 1853682560 MGJMDPGPYCSFRS-IRXDYDNUSA-N 403.454 1.441 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2=O)c1 1853933806 QTPVHTIISROPJF-UHFFFAOYSA-N 401.419 1.512 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(OC)nc2)C1=O 1854131092 BSEXMXUKBRRCPO-IAGOWNOFSA-N 400.479 1.330 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1 1854401669 RVCSYTPSDGLRCA-QGZVFWFLSA-N 414.439 1.584 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(C4C(=O)CCCC4=O)CC3)CC2=O)c1 1855799709 CFEHHBLEYSBQMQ-GOSISDBHSA-N 407.470 1.950 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C[C@@H](C4CCN(CCC#N)CC4)CC3=O)C2)no1 1856150849 QDXMCMKVLWENNQ-INIZCTEOSA-N 413.478 1.056 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1=O 1856721496 GYRNKLGXUXWUMU-IAGOWNOFSA-N 409.408 1.954 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccnc(Br)c3)C(=O)C2)C1 1856872644 WVKGIXOPZKJHOP-OAHLLOKOSA-N 407.312 1.779 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1CCOC1 1857017802 AOZJFOSLQKWABV-GDBMZVCRSA-N 404.488 1.868 30 10 HDEE COc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857039973 ATZBVHGJDBXJGY-QGZVFWFLSA-N 419.503 1.178 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857076269 CWFGJKTWEWRAIR-WMZOPIPTSA-N 417.481 1.688 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(CCCC#N)C(C)(C)C2=O)C1 1857079457 XIHWKJGSHAQBCU-HNNXBMFYSA-N 408.499 1.375 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1857185099 FGIHWLIGNSQRFO-HKUYNNGSSA-N 414.510 1.462 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1 1858969891 WJJIRHXTOWSTQV-UHFFFAOYSA-N 401.488 1.762 30 10 HDEE O=C(NCCCCCO)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869934012 VQLYPYBLPIMJQG-SFHVURJKSA-N 401.488 1.745 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)Cc1ccccc1[N+](=O)[O-] 1873710403 CMLCELHGJHGUMH-UHFFFAOYSA-N 416.459 1.918 30 10 HDEE C[C@H](NC(=O)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(=O)Nc1ccccc1C#N 1873868807 RKUGJWCVHWMJRX-ZOBUZTSGSA-N 405.458 1.876 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1F 1889549721 JFVKWGVQNNOZAN-UHFFFAOYSA-N 423.554 1.555 30 10 HDEE C#C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1891726884 DIEKGKOKTNYWEQ-IEBWSBKVSA-N 403.504 1.812 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)NCC#CCOc2ccccc2OC)c1 1891770401 MPSXMESYUBIAGO-UHFFFAOYSA-N 419.455 1.851 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCCN2CCC#CBr 2018064842 XQWSRJRMWKPNEX-UHFFFAOYSA-N 400.317 1.934 30 10 HDEE CCCn1c2c(c(=O)n(C)c1=O)C(=O)C(=Cc1cc(OC)c(OC)c(OC)c1)N2 2040453996 DIHSXBNQRQAWDA-UHFFFAOYSA-N 401.419 1.632 30 10 HDEE CC1(C)OB([C@H]2[C@@H]3CN(C(=O)CS[C@@H]4CCS(=O)(=O)C4)C[C@@H]32)OC1(C)C 2163718828 PRZREVQUZKSHAX-CXTNEJHOSA-N 401.359 1.457 30 10 HDEE C#CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 2180116410 ZJMNBNFOLZYMQG-HZPDHXFCSA-N 400.541 1.822 30 10 HDEE C[C@H](NC(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1)S(C)(=O)=O 2241168408 GHGWMKAAZZHIEC-SECBINFHSA-N 403.697 1.546 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243673984 CYDHFSBXTYGPCF-CABCVRRESA-N 408.304 1.355 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCOCc2ccccc2)n1 2247824963 XNEBKEWJXSJUOH-UHFFFAOYSA-N 414.315 1.841 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258153120 OQUSFQZBZJQUEE-SJORKVTESA-N 408.476 1.176 30 10 HDEE CN([C@H]1CC[C@@H]1N)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704465 OAYBGWJDHFCHQF-QWRGUYRKSA-N 406.766 1.811 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC4(C3)OCCO4)ccc2F)OC1(C)C 2267708308 HPCATBSRCZYVBF-UHFFFAOYSA-N 413.276 1.262 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(F)(F)C[C@H]1CC#N)[C@@H](O)C(F)(F)F 2280085340 UFTSZQRZTQMTFQ-KXUCPTDWSA-N 401.332 1.953 30 10 HDEE C=CCCC1(C(=O)CS(=O)(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 2280961134 WSVBBFKMBYGPQN-UHFFFAOYSA-N 402.513 1.421 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](C4OCCO4)C3)n(C3CC3)c2)OC1(C)C 2281809732 WQCHMAMNLKFRFI-CQSZACIVSA-N 402.300 1.957 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3[C@H]4CS(=O)(=O)C[C@H]34)c2Cl)OC1(C)C 2281944157 ORWWWTPWIZFJRB-IUCAKERBSA-N 417.745 1.474 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]4[C@@H]3CO)cc2Cl)OC1(C)C 2282827555 ABRSOKODZVCQPF-UMNHJUIQSA-N 419.761 1.702 30 10 HDEE CN(C1[C@H]2CNC[C@H]12)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282832299 MWUDHRXHBOEJNZ-UWVGGRQHSA-N 418.777 1.539 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1N(C)C 2282856582 VHKJYUHUNROFCE-GXTWGEPZSA-N 400.375 1.618 30 10 HDEE C[C@H](CO)CC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866908 QKUGCOKWAKQKGX-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CCCNC3)s2)OC1(C)C 2282867871 FLZAEEAIHYUCDK-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CC[C@@H]1CNCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878190 CEAXEYQMKICHIW-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C(C)(C)C(=O)O 2284395203 IUFHMMQHYZNQLJ-UHFFFAOYSA-N 403.331 1.839 30 10 HDEE COC[C@]1(C)C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284686291 XRMJVTHUZVKQDS-PXAZEXFGSA-N 401.359 1.998 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@H]2OCCC[C@@H]21 2288367940 YTHUIPCPEKHDCC-PLGNDBNPSA-N 402.513 1.727 30 10 HDEE COC1(C#C[C@@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362588330 YJPAWAXUIVSSQF-CABCVRRESA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H](OC)CCN1C(=O)OC(C)(C)C 2365204250 XIMGIRWNQQTYQS-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2365207968 QXXOXWZFLZSAJB-LSDHHAIUSA-N 402.557 1.552 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1(NC(=O)OC(C)(C)C)CC1 2365210136 JLBCCYIBJLGTJL-HUUCEWRRSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COCCN1C(=O)OC(C)(C)C 2367786701 ISDFDINSEKBJLT-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2367804088 PPYYADFIVIOFMF-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2367834454 RPRYBYXJYOWRIA-IIDMSEBBSA-N 400.541 1.163 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 16152629 ZOLSVIRVJMETDK-HXUWFJFHSA-N 405.433 1.945 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NCc2ccc(F)cc2)n[nH]1 20424061 HLPNGSKIQMUUFD-DNTJNYDQSA-N 402.459 1.840 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1)n1cnc(C#N)n1 409698177 CLWIVELMYYOJSH-OLZOCXBDSA-N 412.479 1.728 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cc1C#N 435838551 YNWYVTHZCPGABH-UHFFFAOYSA-N 408.462 1.813 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C#N)c(OC)c2)cc1 460613044 GCMZVQQKLFPVBE-ZDUSSCGKSA-N 403.460 1.559 30 10 HDEE CCO[C@@H](C)c1noc(CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)n1 462601553 IZYJBWMDBFQNRJ-ZDUSSCGKSA-N 423.470 1.684 30 10 HDEE CCC1(CC)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC[S@]1=O 470598012 IEUDKNQXGOOLSA-AREMUKBSSA-N 411.549 1.560 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCC[C@H]3C(=O)N3CCCC3)CC2)c1C#N 472991290 HICFBCFJZWXRLH-MSOLQXFVSA-N 412.538 1.678 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)C[C@@H](C)O1 480619439 ZZZJRUIPCZKIQM-RVKKMQEKSA-N 412.943 1.876 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(c3ccccc3C#N)CC2)C(=O)C12CCCCC2 505625904 MOLCACGJWSJULH-UHFFFAOYSA-N 409.490 1.804 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 505647027 QTNYTRGETSZGKC-PBWTXFEYSA-N 407.470 1.667 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508475048 XRJNESDHFXTIHZ-QFIPXVFZSA-N 419.489 1.485 30 10 HDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1C[C@@H]2CC[C@H](C1)O2 508815929 FNNJCDQSKITQSS-BGYRXZFFSA-N 422.533 1.790 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCSC[C@@H]3CCO)C2=O)cc1 511365145 VVDPQWQIKZNRID-JKSUJKDBSA-N 402.476 1.090 30 10 HDEE CCOC(=O)C(C)(C)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 533276571 CDZSPJYTBBPNFG-UHFFFAOYSA-N 415.450 1.386 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 540531757 KFENTDLUOKPLQS-KPFFTGBYSA-N 406.504 1.814 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccccc3Cn3cncn3)CC2)n1 544842788 JGBBARKVJBBIKL-UHFFFAOYSA-N 409.475 1.104 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CCCC1 546065417 DRKWKBAYTQSXNW-HNNXBMFYSA-N 407.492 1.314 30 10 HDEE N#CC1(CS(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCCC1 546068770 NZSVSYUSWGTZRM-UHFFFAOYSA-N 410.584 1.714 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546800813 CSCBYMDDSACRSG-QZTJIDSGSA-N 410.584 1.522 30 10 HDEE N#Cc1ccc2ncc(CN3CCO[C@H](CN4C(=O)c5ccccc5C4=O)C3)n2c1 552084190 TZZYDIOKXMPJDI-KRWDZBQOSA-N 401.426 1.703 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2cnn(C)c2)CC1 555243435 TYNHRNFFQTXZGR-MRXNPFEDSA-N 404.540 1.874 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)cc([N+](=O)[O-])c2)C1=O 557159235 LAUUQXOILYMASC-UHFFFAOYSA-N 411.168 1.273 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 558085769 ZBUSIKYADKYCJP-SFHVURJKSA-N 408.524 1.530 30 10 HDEE C=C[C@@](C)(O)CC(=O)NCc1ccccc1N1CCN(C(=O)C[C@](C)(O)C=C)CC1 564473417 JZKSHRCBYSDPIU-DHIUTWEWSA-N 415.534 1.606 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NCCS(=O)(=O)c3ccccc3)CC2)nc1 608990938 BHXCISPZJAEIML-UHFFFAOYSA-N 413.503 1.695 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(=O)OC)ccc2OC(C)C)CC1 609844441 IYBKVGINRSRSDM-UHFFFAOYSA-N 418.494 1.712 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)NCCCOC)CC3)cc2C1=O 617422248 GTRQXVUWCXBPHC-UHFFFAOYSA-N 413.474 1.474 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 679531328 WEMAKNUWFNLMJP-OAHLLOKOSA-N 409.508 1.365 30 10 HDEE CS(=O)(=O)N1CC[C@H](Oc2c(N)cc(C#N)cc2I)C1 689942255 QMZDOEMMKHCMPJ-VIFPVBQESA-N 407.233 1.158 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 729332303 MMNIPCBMLBCFBL-LBPRGKRZSA-N 409.407 1.243 30 10 HDEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155778 FTXMWXUQLFABFK-LCIOQVQZSA-N 420.466 1.529 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 732201583 HANWMGSLJOQXHR-IEBWSBKVSA-N 422.533 1.614 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C1 742406242 UOHXXRJNLIRZTG-NVXWUHKLSA-N 419.551 1.023 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@@H](c2ccc(F)cc2)O1 745814448 ZNSNLLXQHGUDKR-JXRHIVSOSA-N 402.426 1.824 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 756217312 NDUAGGSBGGTFLT-ZDUSSCGKSA-N 424.475 1.753 30 10 HDEE C=C(C)C[C@@H](C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 767103515 SXCIBVIFKOBIIE-CQSZACIVSA-N 418.537 1.510 30 10 HDEE C#CCN(C(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 769143381 MHSJGACJEZWXNS-HOTGVXAUSA-N 414.524 1.051 30 10 HDEE CON=Cc1ccc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)cc1 770280711 MXSFGADSERFQKO-KRWDZBQOSA-N 410.492 1.495 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778818128 RDIVKDFKRAAZKG-GOSISDBHSA-N 413.455 1.896 30 10 HDEE C#CCN1CCN(C(=O)CNc2ccc3c(c2)CCC(=O)N3CC(F)(F)F)CC1 780306823 QFJIXFBWYQJSQH-UHFFFAOYSA-N 408.424 1.717 30 10 HDEE CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 781517383 DFSBTVAICMEVQW-GFCCVEGCSA-N 406.389 1.279 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN/C(O)=C1\N=CC=CC1=O 782808318 CNMZTOYGPHAFGN-YPWSZFOLSA-N 418.494 1.903 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 783017803 XUMYQZGRSDPXNU-ZBFHGGJFSA-N 417.890 1.651 30 10 HDEE Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 785989320 FRNHKRKPRKFLKJ-GOSISDBHSA-N 409.490 1.272 30 10 HDEE C[C@@H](OC(=O)[C@@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCC2 790676368 GDDLHQKEWFPCAW-ODXCJYRJSA-N 415.471 1.592 30 10 HDEE CNC(=O)C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccccc1 797517502 NPGZUEAANYABSU-IKGGRYGDSA-N 415.494 1.922 30 10 HDEE C[C@@H](OCC(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1nccn1C 805939661 MLEZOHISEFVBFB-SNVBAGLBSA-N 416.381 1.893 30 10 HDEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 809874874 AOXVWFVUSMNRDU-JKSUJKDBSA-N 418.519 1.981 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NCc2ccco2)n[nH]1 1083891843 UWPXTRUHXMNFMI-UHFFFAOYSA-N 418.483 1.058 30 10 HDEE CC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1ccccc1 1084189706 XKKZRGSJFRQSKK-UHFFFAOYSA-N 411.451 1.066 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(OC)c(OC)c1)c1cc[nH]n1 1135424364 BEMKDQKCTVZMHQ-UHFFFAOYSA-N 404.423 1.369 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(I)cc2N)CC1 1140626123 BKKZCCKGXQXNSB-UHFFFAOYSA-N 413.215 1.792 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1143975985 RPMLUZRNVVDPSS-TWMKSMIVSA-N 405.520 1.968 30 10 HDEE CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1144763097 KTKOTNNVQUNOFN-ZIFCJYIRSA-N 421.339 1.613 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779662 SCLPPRKPVBLWQX-LLGFUMIMSA-N 420.462 1.009 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1158987934 ZKWKRBPUAHRUSF-OAHLLOKOSA-N 410.467 1.149 30 10 HDEE COC[C@H](C)n1c(SCC(=O)N[C@@H]2CCCN(O)C2=O)nnc1-c1ccccc1 1159642204 VOMUBHINRXYCLQ-DZGCQCFKSA-N 419.507 1.741 30 10 HDEE Cn1cc(O)c(=O)cc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1163760561 LJWGPJGCCCWXPU-YZGUTLMUSA-N 416.478 1.494 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCc4ccnc(N)c4C3)C2=O)cc1 1170259742 VIEOOZWODLRGKI-QGZVFWFLSA-N 404.430 1.325 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCCOC1 1176202785 PCPPRHNONPUVSF-HLAWJBBLSA-N 418.513 1.566 30 10 HDEE C[C@]1(c2cccc(CNC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)c2)NC(=O)NC1=O 1251585723 FWFVWRPZXOUNGB-WMZHIEFXSA-N 417.469 1.898 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1)C1CCOCC1 1253353822 BSXPJMPRYWLLOQ-LJQANCHMSA-N 405.520 1.651 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1286284677 GFCNLAKGAQESIL-VBKZILBWSA-N 416.551 1.857 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1286360938 KVNXVHSSRVOPHA-YOEHRIQHSA-N 422.530 1.400 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@H]1COCCO1 1286422318 KSPLGKGSHNZJPD-SIKLNZKXSA-N 416.522 1.587 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1286446028 CFCZLOSEPZZDPP-ZIAGYGMSSA-N 400.595 1.488 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1286451979 QIVZBLYGTBSNKD-GDBMZVCRSA-N 424.596 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](OC)C(C)C)CC1 1286485446 MCASQEBURSFMCD-QGZVFWFLSA-N 418.542 1.053 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1286526049 OUIPROGJYFUGLB-FDDCHVKYSA-N 420.517 1.960 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2nc(C)nc2C1 1286546281 IAXIKXLKPYMENH-NVXWUHKLSA-N 414.514 1.318 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1286552966 OMLUBIPFBFHTKK-YXMSTPNBSA-N 415.535 1.664 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1286751145 ATPOALSWSXBDKU-MRXNPFEDSA-N 407.540 1.660 30 10 HDEE C=CCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286778099 RBXSDHNTMBWWRG-OAQYLSRUSA-N 413.526 1.850 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCOC1 1286791515 UWIDMCJBERMNJO-CRAIPNDOSA-N 413.478 1.566 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1(c2ncccn2)CCOCC1 1289171808 HCQLHLXCVCRFDB-UHFFFAOYSA-N 405.462 1.763 30 10 HDEE N#C[C@]12CN(C(=O)CSCC(=O)c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1289436892 QHHBPGIWQKRIIR-SUMWQHHRSA-N 412.920 1.653 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1293157468 ZXWKAWRCIPGDRD-OZNQOIHVSA-N 412.450 1.538 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1297504998 FCDARSPFBQRRCH-UHFFFAOYSA-N 407.536 1.155 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 1297867975 AQRKYRGMBZYTSU-HPFXQQBRSA-N 404.536 1.158 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1300275621 XDGGFZLZIOEQQB-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300485469 XEFJBEUDIQVOQN-DNVCBOLYSA-N 422.938 1.774 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCCO 1300569450 LQJNPFOBYLDVJX-UHFFFAOYSA-N 410.474 1.578 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)CC(F)(F)F)CC1 1300710423 AMTXZDSXHUUJSH-OAHLLOKOSA-N 400.449 1.379 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1300754002 FHZWXVOKOGUABX-IEBWSBKVSA-N 414.579 1.807 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300883939 GGRMARDUXKGUEF-KONPQCLYSA-N 416.526 1.173 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1301259692 PGEYBECZZSFEPX-UHFFFAOYSA-N 415.542 1.695 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCOCC2)C1 1301567343 VOLXRHXIKCKCRS-FQEVSTJZSA-N 412.538 1.768 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)C1 1301686111 DKVCKHKTMOJODC-DOTOQJQBSA-N 401.515 1.397 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1301952195 HYZCTYXEEQXTPV-AWEZNQCLSA-N 415.464 1.994 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1301955830 ACUQLXQXROVZCD-YZLZLFLDSA-N 407.515 1.454 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1301987886 BDMRPJBNBBTGQP-KFWWJZLASA-N 421.523 1.943 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1302443020 COJAALJVBAZDLO-INIZCTEOSA-N 401.515 1.522 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303973170 FXYSVHWLBMJVEF-FBMGVBCBSA-N 411.466 1.415 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 1303982908 BNXHRAUBRBWDFT-MRXNPFEDSA-N 417.510 1.882 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(CN3CCNC3=O)CC2)CC1 1304192598 BVFBSHJBKPQKFB-UHFFFAOYSA-N 418.538 1.901 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCC#C[C@H]2CCCCO2)cc1 1305003800 ZPBLQXVMIUSCFN-QGZVFWFLSA-N 407.492 1.002 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CCOCC1 1309872812 WUKROUBEXBJGBS-UHFFFAOYSA-N 418.512 1.828 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1314951221 OPOHVLPQVTWOGU-LHSJRXKWSA-N 409.494 1.113 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1(N(C)C)CCOCC1 1316269697 MEDQIDOJYGEJBL-SQNIBIBYSA-N 420.558 1.709 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2c3c(nn2C)CCC3)c1 1357484812 WCLQIQYUHICRBQ-OQKWZONESA-N 401.492 1.974 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)c1 1357823564 OTFIQDOKLVDVNZ-AEFFLSMTSA-N 401.463 1.747 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2Cc2nncn2CC)c1 1358902388 MNOYLQFNFPIEID-UHFFFAOYSA-N 404.478 1.871 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1ccc(F)cc1 1358967743 QYWUHVSJQKQTKM-UHFFFAOYSA-N 408.437 1.365 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2cccc(NC(=O)[C@H]3CCCO3)c2)CC1 1359030395 VJBCHGWAKLPKAC-HXUWFJFHSA-N 408.506 1.508 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCCCC2)CC1 1359037801 XUEWDATVKIBEHM-UHFFFAOYSA-N 407.566 1.895 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(OC)CCCC2)CC1 1359037912 CVMMBYWNSVPBOK-UHFFFAOYSA-N 411.554 1.854 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359188803 VIVKUPBNLWTBDA-FOIQADDNSA-N 421.567 1.499 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359303667 WVWRAYBKCGSXKO-GOSISDBHSA-N 410.522 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1359332480 YPRPKVVWOAAUBR-LPHOPBHVSA-N 407.540 1.903 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359341507 YVZNWIQLYNURQW-AEFFLSMTSA-N 417.583 1.755 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCC(C(=O)Nc4cccc(C#N)c4)CC3)cnc21 1434986959 WDKBIHYOAGCNAZ-UHFFFAOYSA-N 418.457 1.832 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1439963928 OLRODKGJHWBXRZ-UHFFFAOYSA-N 418.475 1.654 30 10 HDEE N#CCCN(Cc1ccco1)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1442495650 FMAXDLQZCWNPSH-UHFFFAOYSA-N 417.487 1.981 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)cc1 1451236197 HNNVZWVPHQKVKJ-QGZVFWFLSA-N 424.519 1.296 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1452857528 IULXBCKLOSVSTG-KRWDZBQOSA-N 403.504 1.305 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CCNC(=O)C(F)(F)F)c2ccccc21)n1cnc(C#N)n1 1454921082 BSULNINDDFMDAX-VXGBXAGGSA-N 406.368 1.910 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OC 1455840087 QHJBKVQBJJWXRD-ZDUSSCGKSA-N 419.297 1.724 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(c2nc(C)c(C)[nH]2)CC1)c1cc[nH]n1 1455864734 HZPGZVLBUCAPPG-UHFFFAOYSA-N 402.455 1.440 30 10 HDEE C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H](C)COC 1460407938 KYPAIAVBFCFYLX-INIZCTEOSA-N 411.524 1.169 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C[C@H]3CCCOC3)C(=O)OC)cc2C1=O 1462132464 XDSJWLGMFRGVFX-CXAGYDPISA-N 400.431 1.557 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cnn1CCC#N 1463457585 YWGNTLPSBRXJEK-DOMZBBRYSA-N 404.414 1.687 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)c1ccc(Br)cc1 1463777260 UGNAPBZKRVLUAS-CQSZACIVSA-N 412.265 1.471 30 10 HDEE O=C(NCc1ccc(N2CCCS2(=O)=O)c(F)c1)c1cccc(C#CCO)c1 1467287523 OPIBYETVYJGXMP-UHFFFAOYSA-N 402.447 1.639 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 1468651513 ZHZDJSSLNBMRGB-HAQNSBGRSA-N 420.315 1.402 30 10 HDEE C#CC[C@H]1CCCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468664272 ZCISEWBWIGFIDK-OALUTQOASA-N 412.538 1.727 30 10 HDEE Cn1ncc(I)c1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1470624850 XOSRUUYNAUWQAA-UHFFFAOYSA-N 407.215 1.833 30 10 HDEE CCOC(=O)CON=C(C(=O)N=[S@@](C)(=O)c1ccc(OC)cc1)c1cc[nH]n1 1471989640 RUCTXYIJEJMEPC-NDEPHWFRSA-N 408.436 1.386 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COC[C@H]1C1CC1 1472305077 FYHOWTRZNGRZLL-DLBZAZTESA-N 405.520 1.827 30 10 HDEE COCC1(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1504630862 HKVVPQCUNJBEII-MRXNPFEDSA-N 400.483 1.456 30 10 HDEE COCc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1504642599 HZVGCCNYDJMAIS-YJBOKZPZSA-N 417.535 1.971 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1504883124 DHORDOKTQCGIPX-RBUKOAKNSA-N 410.478 1.723 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1504883332 IFVDMBUNAZGSPS-NRFANRHFSA-N 409.494 1.250 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C(C)C 1504993116 DQVGHQPGTWVLMW-MMOPVJDHSA-N 420.558 1.586 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1507522140 FQMGTVOUQATKNP-SECBINFHSA-N 407.301 1.799 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507554613 VVGODPBATAKBIG-NRFANRHFSA-N 413.526 1.705 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1507591086 IPUFWGMDTHOOHV-UHFFFAOYSA-N 408.510 1.192 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC1 1507651952 FRQSBZUZWQOFHH-UHFFFAOYSA-N 402.458 1.273 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1c(C)noc1C 1507652379 FXLLNWTUWVBXJE-WMLDXEAASA-N 415.519 1.662 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2CCCCCC2=O)CC1 1507725154 PVWFOFHODDXEDP-UHFFFAOYSA-N 409.538 1.821 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1507734320 UXEZNLXUFFWZPD-VFNWGFHPSA-N 403.527 1.081 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(CN(C)C)c2)CC1 1507743043 XFOOTOGNNXYSQT-UHFFFAOYSA-N 408.550 1.916 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1CCC(O)CC1 1507764255 KUSBBMSSYBFXBL-PGRDOPGGSA-N 419.570 1.841 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1 1507797457 LQOGPEKMICYTAX-OAGGEKHMSA-N 412.581 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508079053 MUSIRYVWZXJGBU-INIZCTEOSA-N 409.450 1.517 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1508087663 DBDZEWFNKPTRGY-QWHCGFSZSA-N 403.405 1.242 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508140420 IIMUQLDNAYTHTL-SFHVURJKSA-N 409.512 1.177 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)Nc2ncc3c(c2C#N)COCC3)c1 1529116209 SJAMTHFEVGOJRA-UHFFFAOYSA-N 402.432 1.460 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)C(C)C 1538977966 ZARJGWJSVXBDKX-DYESRHJHSA-N 405.543 1.939 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1539148576 QHZKUYPNYMZVNI-OAQYLSRUSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1539155042 SAQDJQCISFYDNM-FQEVSTJZSA-N 401.467 1.460 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539224180 CXSNNGFYCQGHDL-MRXNPFEDSA-N 422.576 1.982 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1539240018 VJOGFWCYYKEZFG-INIZCTEOSA-N 415.519 1.408 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1539359291 BKARYVGWVRPWNI-UHFFFAOYSA-N 421.509 1.103 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCO[C@@H]1CCCC[C@@H]1C 1539414225 SDVZXXXLSDOQSW-OKZBNKHCSA-N 403.527 1.911 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539445809 GXZNWYGCVOPYIV-MHORFTMASA-N 400.527 1.188 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1539626748 GEZNTNVWAMIBMP-MDZRGWNJSA-N 411.510 1.808 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1540037385 JSWBDJNKGWUXGF-IBGZPJMESA-N 418.586 1.812 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541803807 MVOFEJDCNDROOQ-OWCLPIDISA-N 410.544 1.192 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1544363376 SYXKWBYTQHCBMV-AWEZNQCLSA-N 403.483 1.390 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)[C@H]1CC 1547743999 FMHMRLXMQGXLFS-QGZVFWFLSA-N 423.521 1.694 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H]2CCn3ccnc3C2)CCOC1 1547861098 SMCCDMUYGLLSRN-XGHQBKJUSA-N 413.526 1.985 30 10 HDEE CN(CC1CC1)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1554212712 ILRPXSHVSNOALX-FMQUCBEESA-N 407.478 1.637 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1555700344 OUWNQTUFGVBWPN-IBGZPJMESA-N 422.493 1.740 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(F)F)CCO1 1555994711 KEBWZPZGIKHWAJ-HNNXBMFYSA-N 417.420 1.527 30 10 HDEE C#C[C@H](NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)C1CCOCC1 1557578043 KEXKXUTUALJHTC-HNNXBMFYSA-N 400.504 1.987 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1558231778 ZOEIXSHXHLMVSJ-IRXDYDNUSA-N 419.352 1.801 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(C)(F)F)CC1 1558585731 MBQRHMJJCQZXRT-ZDUSSCGKSA-N 400.451 1.024 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2CCc3nncn3CC2)c(=O)c1C#N 1558973406 QJUDBOKVJZKAJV-LLVKDONJSA-N 405.256 1.414 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1564981157 COKIHUOWZAKYPF-UHFFFAOYSA-N 413.503 1.432 30 10 HDEE C=CCC1(O)CCN(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1565002084 GUEURPBSKJJQTB-MRXNPFEDSA-N 402.561 1.054 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(=O)OC(C)(C)C 1567387537 CARZFDUZOGKCKC-LSDHHAIUSA-N 406.483 1.732 30 10 HDEE CC[C@H](COCC(F)(F)F)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1569529057 CMUTUYXBUFLVIS-NWDGAFQWSA-N 421.441 1.977 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)CC1 1570565593 UQPTXEGANWPFFC-RBUKOAKNSA-N 415.538 1.584 30 10 HDEE CCN(C(=O)c1cnn(CCC#N)c1C)c1ccnc(CN2CCN(C(C)=O)CC2)c1 1583058463 LSPBNAZIMBNSCU-UHFFFAOYSA-N 423.521 1.831 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)C(C)(C)Oc3ccc(C#N)cc3)CC2)CCOC1 1585022199 MCNRENMGJKFSTC-NRFANRHFSA-N 401.463 1.192 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCN2CCN(Cc3ccccc3)CC2)CC1 1588837511 WHEUUJFWOFKHTN-UHFFFAOYSA-N 421.593 1.414 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1589047538 ABXCJOYMDMZHOE-OAHLLOKOSA-N 408.553 1.058 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(NC(=O)COC)CC1 1589568293 IVQUSLNMJFUCMB-JXFKEZNVSA-N 421.542 1.527 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1593747544 YPFQYVRMGSTXQE-MOPGFXCFSA-N 405.543 1.533 30 10 HDEE C=CCn1c(C2CC2)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1595393110 IGGQAADPEKFAIC-KFWWJZLASA-N 423.539 1.468 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2C1 1595550644 GIASRHIRWHDRGD-QGZVFWFLSA-N 415.519 1.045 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1595602291 IXECDQXHBXFTBF-SPYBWZPUSA-N 409.556 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1595838663 XHERLDMQLNZVGV-AVEIZBFRSA-N 424.567 1.838 30 10 HDEE COC[C@@H]1COCCN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1611072222 CDLMFQCBXXXWAK-OAHLLOKOSA-N 400.435 1.896 30 10 HDEE Cc1cc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)nn1-c1cccc(C#N)c1 1611111727 MENVAQRJCJQAMC-IBGZPJMESA-N 400.460 1.082 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3cc(C#N)ccc3F)CC2)CC1 1615428383 CBGISKRBZJZSMO-UHFFFAOYSA-N 401.486 1.008 30 10 HDEE CCOc1ncccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1616496350 GAACTOMPVIHHLD-KGLIPLIRSA-N 421.527 1.326 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1616565851 BNNRUAFVOOHZIB-XPKSXUOMSA-N 411.506 1.954 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CCO1 1618694785 XWYQPVVVIBVFOZ-MRXNPFEDSA-N 400.508 1.521 30 10 HDEE C#CCOc1ccc(Br)cc1CNC[C@@]12COCCN1C(=O)COC2 1621035453 UAHRGCSCUFZKEB-SFHVURJKSA-N 409.280 1.179 30 10 HDEE CCNC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1624597147 BEUJATUKUSZHBD-UHFFFAOYSA-N 420.311 1.631 30 10 HDEE C#C[C@@H](CO)NC(=O)c1c(I)ccc(Br)c1F 1625165395 MAMOUMNPWWRENG-LURJTMIESA-N 411.996 1.917 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)CC1 1626037980 WUOBHLWOPGLBOV-UHFFFAOYSA-N 417.510 1.688 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)cc1 1628027999 FITGJMWSZIHHRI-UHFFFAOYSA-N 401.492 1.428 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 1628946669 KPPOKLYRZZDLKU-OAHLLOKOSA-N 407.492 1.530 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)nn1 1630445437 FUOJHUYAVMJRBB-UHFFFAOYSA-N 411.487 1.873 30 10 HDEE N#Cc1cn(CC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)c(=O)nc1O 1631127426 AGICWFBQEOWDOG-CYBMUJFWSA-N 404.810 1.670 30 10 HDEE C=C[C@@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1631874365 VGKVLGHYWLAIIN-CQSZACIVSA-N 413.471 1.061 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 1632073998 FTMIHPDHGHBAIP-KTKRTIGZSA-N 400.475 1.994 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@H](C)NS(=O)(=O)c1cccnc1Cl)C(=O)OCC 1633297466 RPLOYZDLEHMVOQ-STQMWFEESA-N 417.915 1.806 30 10 HDEE CCNS(=O)(=O)c1cccc(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1636023746 PEROVQKMGSBCRF-LJQANCHMSA-N 416.503 1.731 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1636664143 BVLOOFKKEXSHJF-GHTZIAJQSA-N 400.475 1.525 30 10 HDEE C#CCN(C(=O)NCCC(C)(C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1638048149 AUEGQBHZLWUCKS-AWEZNQCLSA-N 401.529 1.512 30 10 HDEE C=CCC1(O)CCN(C(=O)c2c(F)ccc(S(=O)(=O)NC3CC3)c2F)CC1 1638656652 RCBRHFBYGVPIEB-UHFFFAOYSA-N 400.447 1.949 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1640276605 IRNHPMUMHYGHMY-VQHPVUNQSA-N 410.536 1.671 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(c1cc(C#N)nc(C)n1)C2 1640403175 FIBCNXREEFOHDH-LAPQFRIASA-N 401.467 1.939 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1640727910 VJQCPFDGALJFFH-UHFFFAOYSA-N 415.443 1.651 30 10 HDEE C[C@]1(C(F)F)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1643905458 PVOXJAVWBHDNSO-YLJYHZDGSA-N 410.440 1.891 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1646250272 DCPFOSCCDVVWQW-UHFFFAOYSA-N 418.500 1.268 30 10 HDEE CCCCCCCC[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1648633230 DMDVJVVIVUICJN-OAHLLOKOSA-N 421.523 1.939 30 10 HDEE C#CCN(C(=O)c1ccn(CCN(C)C)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385836 YHNKPJOEOFQOGA-UHFFFAOYSA-N 403.527 1.920 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1652173687 XXUFHEUIPYFIEF-UHFFFAOYSA-N 419.547 1.097 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)C[C@H]1CS(=O)(=O)C2 1652520724 DZQRMHZXJNNIJY-QRFRQXIXSA-N 405.495 1.577 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)n1 1652904077 OROIMYQHTMMAMZ-UHFFFAOYSA-N 415.294 1.372 30 10 HDEE N#Cc1ccc(C2(NCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CCOCC2)cc1 1654489912 WHKOZKRBQZCXSU-UHFFFAOYSA-N 414.487 1.440 30 10 HDEE Cn1cc(C#N)c(=O)n(Cc2cc(Cl)ccc2I)c1=O 1656190792 TYOVXERLAICTGY-UHFFFAOYSA-N 401.591 1.725 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@]3(CCOC3=O)C2)CC1 1660693628 AZOZJJVKEWYNAZ-RXVVDRJESA-N 400.454 1.174 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H](CCc2ccccc2)C(F)(F)F)c(=O)nc1O 1670553576 COVWTBQEHRMJLM-AWEZNQCLSA-N 409.368 1.683 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1670631486 HRFPXOKSHRGMTR-IBGZPJMESA-N 407.536 1.840 30 10 HDEE C#CCN(C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1682594168 VJXRKQIOFWKDGS-BFYDXBDKSA-N 403.504 1.185 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C[C@@H]1C[C@H]1C1CC1 1686228192 HXCMWHICJRJKIE-RZFLPCETSA-N 402.539 1.935 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(CCCOC)c1 1686259754 UDUWKCJTDTWBGH-QQXKLLMISA-N 402.495 1.372 30 10 HDEE C#CCN(c1nnc(C)n1CCOCc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1689982338 KWGXGLLDJQIMJF-SFHVURJKSA-N 418.519 1.439 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCSCCCO 1690015396 LAOQUXDDRGWNCC-UHFFFAOYSA-N 422.514 1.782 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC2(O)CC2)n1 1690109384 PMALXAHPUWVNSJ-QGZVFWFLSA-N 414.510 1.180 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2Cc2cccnc2OCCOC)CC1 1690122056 DMBHKCPJQAESFE-UHFFFAOYSA-N 410.522 1.769 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1690139254 FMHYTDQWUQGUID-UHFFFAOYSA-N 418.501 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)CCC)CC1 1690145978 CDUGZYHPXPLDCH-UTKZUKDTSA-N 403.527 1.299 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690236756 QVZKIUHZUCSMCU-SZMVWBNQSA-N 418.542 1.455 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690310082 STDYUJRNEFKRGL-QGZVFWFLSA-N 409.556 1.753 30 10 HDEE Cn1cnnc1[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1696872653 GTGXPQCPIOESRD-SFHVURJKSA-N 422.493 1.686 30 10 HDEE C[S@@](=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1698321266 DLAWAIDCHDROSU-KUNJGFBQSA-N 405.549 1.960 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705508152 QPFPXRLTMFSFHK-CVEARBPZSA-N 409.556 1.575 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705559916 GZAIRYLVHZTEOS-INIZCTEOSA-N 402.520 1.956 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1705583769 JOMFYEBTQLNKSZ-UHFFFAOYSA-N 411.893 1.454 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C(N)=O)cc2)CC1 1705648218 SFWXKULHWNXCGA-UHFFFAOYSA-N 406.490 1.269 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCC2)CC1 1705652625 HICQFQLZGYYYKE-UHFFFAOYSA-N 416.595 1.945 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705661296 YCFZGKYZTMMUTH-UHFFFAOYSA-N 404.540 1.364 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(C)c1C 1705881579 UCUCQDFJGXAHFD-UHFFFAOYSA-N 410.482 1.654 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705904193 IDAZGGLNQQRMQZ-UHFFFAOYSA-N 417.583 1.866 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)n(C)c2=O)C1 1705922692 RBXDBCHCWIKGEB-SJORKVTESA-N 412.494 1.066 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2occc2C)C1 1705925126 LKJKSKSJKHYPKM-JKSUJKDBSA-N 406.508 1.911 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1709153427 GVLYFOWTSSSOGJ-UONOGXRCSA-N 402.421 1.222 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1709328900 NZMCUZJUCKFQAK-SJORKVTESA-N 423.477 1.420 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712144161 HYTKWVACTOMDHV-HNNXBMFYSA-N 412.494 1.713 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1722296359 PCUDNDPAXHFPAV-HOCLYGCPSA-N 403.508 1.480 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1722369296 XFCRJFLYHRYAHR-IRXDYDNUSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCC[C@@H]1C 1722386964 DAMGSGNSWKUTOU-JTSKRJEESA-N 406.490 1.939 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1722402335 LLFZUWCTQCIVFE-DLBZAZTESA-N 410.588 1.468 30 10 HDEE C=CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722692351 JLQQSDLSECEXOJ-QGZVFWFLSA-N 416.526 1.256 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1723662913 HSNIOXIVKRIGON-GCKMJXCFSA-N 418.542 1.972 30 10 HDEE C[C@H]1CSCCN1c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726757367 HEFMAUGOPMMKBM-BZSIDJSBSA-N 402.524 1.699 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C(=O)C1 1735533893 LZYAUWCFOWPRGN-PDQKVPEZSA-N 401.507 1.038 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1740534369 YHWFRPDSIUSWIJ-ZNMIVQPWSA-N 408.528 1.242 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H]1CCOC1 1740581555 AGYOFRQJCIGYHW-KRWDZBQOSA-N 417.535 1.834 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1740614757 DMFBQTSACAMPCO-HNNXBMFYSA-N 404.515 1.944 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1740615325 AXVWAQYNZZWBGE-SFHVURJKSA-N 416.547 1.743 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccnc1OC 1740631583 KKHGTLOJKVRYEM-JOCHJYFZSA-N 409.490 1.843 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1740671643 LKDVRTYFXHOHCV-INIZCTEOSA-N 420.510 1.974 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)CCN1CCOCC1 1740718981 FMQSYKIZGFXNEK-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1740954629 QAPQSSBIZVVJSW-GOSISDBHSA-N 416.489 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740993382 ZMJQUYCDYYYOAW-UHFFFAOYSA-N 415.523 1.035 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1741991621 LWXITOKADKDCAJ-DYESRHJHSA-N 410.478 1.324 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1745947475 HZBHIMINLSXPEU-MRXNPFEDSA-N 401.492 1.355 30 10 HDEE CCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1747362525 DLZJDUDRNZYJKM-FQEVSTJZSA-N 414.489 1.931 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748846635 JBDGDRCPCBZXNI-QUCCMNQESA-N 420.517 1.523 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C2CC2)cs1 1748959988 CSNXCIKEPYLJNO-CQSZACIVSA-N 400.508 1.697 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1748964599 HIASKBRJOXLLIH-UHFFFAOYSA-N 410.400 1.028 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2c(C)noc2C)CC1 1748971397 NWQFJEIMFMXJFZ-HNNXBMFYSA-N 413.526 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCCC)nc2)CC1 1748987343 UNWZRWIICLJZRE-UHFFFAOYSA-N 418.505 1.722 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749028924 IGJHICATTVSALE-KRWDZBQOSA-N 415.544 1.806 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1749097670 GZWJCWUCDMOTBS-RYUDHWBXSA-N 421.303 1.608 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1749461495 BPWBPKWMMGCTQF-QGZVFWFLSA-N 417.558 1.079 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1749533620 JPLVOZCSQJGJSR-IAGOWNOFSA-N 410.478 1.480 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1750388908 OBNHXUHRATVZPB-HOTGVXAUSA-N 415.498 1.290 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)c1cccs1 1757763942 CPJNBGMTLDWLLA-OWYFMNJBSA-N 403.504 1.317 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1760110193 BDDLKABUJZNKRC-AWEZNQCLSA-N 402.462 1.432 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760173581 ADPWVABTECZKCR-UONOGXRCSA-N 419.576 1.879 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760180324 CCXBZHVYEWXVKJ-FXAWDEMLSA-N 422.551 1.355 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760186354 BVNISCQWWCKGRA-IBGZPJMESA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCCS1(=O)=O 1760199930 NGSLXJUUUGSJTR-QGZVFWFLSA-N 412.515 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nccs1 1760210208 OFEPXCPDXRNHHW-HUUCEWRRSA-N 420.564 1.611 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)=O)CC1 1760272786 VSDYQOSBNVTRHF-UHFFFAOYSA-N 420.583 1.622 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760336434 ZIMIHFALHZIKTB-DLBZAZTESA-N 409.556 1.608 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C)C1CC1 1760470348 OIHORXYCIFLXGN-AWEZNQCLSA-N 419.555 1.552 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)NCC)CCC1 1760489947 NDSROMAWYFIZCA-UHFFFAOYSA-N 400.527 1.999 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760491362 DLYCWBWMKFODOB-FQEVSTJZSA-N 413.503 1.545 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1760543759 VKYAELHUWMZAAI-AEFFLSMTSA-N 417.514 1.128 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCSC2)C1 1760547660 OXAYQIQZLADUAD-CLWJZODNSA-N 424.567 1.651 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760562902 ZFIGNSAUFNOXAP-HXUWFJFHSA-N 417.583 1.899 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CCO1 1767707584 KHTFSRCEZOMQLW-HNNXBMFYSA-N 420.420 1.050 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1)[C@H]1CCOC1 1768578867 VSRDLKNXGNUWHZ-SFHVURJKSA-N 422.493 1.715 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1769276416 PVBARUBFYVRZRK-QGZVFWFLSA-N 416.457 1.096 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(C)=O 1770205122 WYHHNVTZPCLJKM-ZWOKBUDYSA-N 404.515 1.658 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1772842596 UOVVAQJVILVCHT-ORAYPTAESA-N 402.455 1.407 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1848898244 NSDYQENAMPBRMA-OAHLLOKOSA-N 424.482 1.440 30 10 HDEE C=CCC[C@@H](C)CNC(=O)[C@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 1850555818 ZBZPCKOJJWSJQA-HUUCEWRRSA-N 400.541 1.987 30 10 HDEE CCN(CC)CC#CCNC(=O)c1cc2c(N3CCSCC3)nc(C)cn2n1 1851088590 ITMNBFXAAFKCFQ-UHFFFAOYSA-N 400.552 1.666 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851351559 WHQSJXMEBMZSGS-MOPGFXCFSA-N 418.501 1.881 30 10 HDEE N#Cc1ccc(=NC(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)[nH]c1 1851366522 SYWDQEJGKLMHPB-UHFFFAOYSA-N 413.478 1.535 30 10 HDEE Cc1nn(-c2ccccc2)c(NC(=O)CCCN2CCS(=O)(=O)CC2)c1C#N 1852134701 IACMRHSSKHVKEP-UHFFFAOYSA-N 401.492 1.502 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CC1 1852688974 SPQQWTADRXCIGW-QGZVFWFLSA-N 409.939 1.661 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](N4CCC(C#N)CC4)C3=O)nn2)n1 1853789559 JZAUULGSNPRCEY-GOSISDBHSA-N 407.478 1.646 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C1=O 1854216210 QSPKMOWGFIDHIA-GOEBONIOSA-N 406.870 1.879 30 10 HDEE C=CCN1CCN(C(=O)C2CN(c3nc4c(OC)cccc4s3)C2)C(=O)[C@@H]1C 1854282851 QLKKDLYYBNTIRC-ZDUSSCGKSA-N 400.504 1.986 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CCN(c3nc4c(F)cc(F)cc4s3)CC2)C1=O 1854728290 DVYUUQJKCJDNNO-CYBMUJFWSA-N 405.430 1.738 30 10 HDEE CCC[C@@H](F)C(=O)N1CCCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885353 WOFWHANZYIVORY-WBVHZDCISA-N 402.474 1.515 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1855110835 XFONFOTZBFHNQH-NVXWUHKLSA-N 415.515 1.847 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)C1 1855121795 FDWGCTAZOJVZHK-CRAIPNDOSA-N 410.474 1.059 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCC[C@@H](N4CCC(CC#N)CC4)C3=O)c2n1 1856552132 YTBDSEFXXFHFJS-GOSISDBHSA-N 407.474 1.760 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2c3c(nn2CC)CCC3)C1=O 1856742144 XHCOUJXODHNYBW-ROUUACIJSA-N 413.522 1.242 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2nc3ccccc3o2)C1)[C@@H]1CCN(C)C1=O 1857063140 XFSMGHPQHULJFL-DOTOQJQBSA-N 410.474 1.925 30 10 HDEE C[C@@H]1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CCS1(=O)=O 1857343693 UXIOANHQDJDFRY-NVXWUHKLSA-N 403.504 1.446 30 10 HDEE N#CCC(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)C2(CCCCC2)C1=O 1857435031 DOCZRYFKARBCGJ-UHFFFAOYSA-N 411.441 1.589 30 10 HDEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN(CC)CCO 1870508100 LDIQKZFKLULDTL-UHFFFAOYSA-N 413.518 1.886 30 10 HDEE CCCCCCCCCCN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)CC1=O 1872993505 QKEYPWHMGMQOFO-MSOLQXFVSA-N 423.554 1.866 30 10 HDEE C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1 1873841509 WOCJGQWDXUTRCC-UHFFFAOYSA-N 405.476 1.043 30 10 HDEE C#CCOC1CN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1963814964 PPFNTKYXMZTJJV-SFHVURJKSA-N 416.474 1.874 30 10 HDEE C=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 2054622791 BZQDHZDSIXPDSS-PSOYPTMXSA-N 422.430 1.187 30 10 HDEE O=C(N[C@H](CS(=O)(=O)CC#Cc1ccccc1)C(=O)O)OCc1ccccc1 2074671731 WGNDLAZABNPSGT-GOSISDBHSA-N 401.440 1.833 30 10 HDEE C#CCNC(=O)CCNC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F 2132086716 FDEMKSDUGYXAKH-HNNXBMFYSA-N 413.396 1.880 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195307359 SSPXXZKJSRAJJR-STQMWFEESA-N 404.529 1.832 30 10 HDEE CC(C)(C)OC(=O)NCC1(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)CCOCC1 2195329147 XPSMTVPWFPNQCH-ZDUSSCGKSA-N 404.529 1.976 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247837481 SOXSZDUNOSRJJK-INIZCTEOSA-N 412.343 1.970 30 10 HDEE Cn1cc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247842878 BCZUCLVLZCFVGY-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247856696 MHEITRITTWVZIC-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE Cn1nc(C(=O)N(CCC(N)=O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2247917058 BMWNZDUFUDZVEQ-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247920488 ZEABBFIBEXWHLM-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@]12CCOC2 2247931137 DYPYMLHTNQQBKZ-QVKFZJNVSA-N 420.315 1.906 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@]12C[C@H]1CN(Cc1ccccc1)C2 2255698052 MTIUSIMFDABZTO-AOMKIAJQSA-N 423.326 1.119 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[S@@](C)=O 2267376304 TZGZFMGEAQSQDW-APXPCNQMSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2267380144 ZJZLZXWRXGHSPL-INIZCTEOSA-N 409.313 1.560 30 10 HDEE CNC(=O)[C@@H](C)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312707 ABQRDRRHKJPHGM-SECBINFHSA-N 422.765 1.456 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C1CC1 2282329114 IDOPRRRMIGIANS-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE C[C@H]1SCCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334623 DTLFNOXFKGZXRY-YPMHNXCESA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@H](CO)CC3)c2)OC1(C)C 2282349544 AEBVADCLCKJGGD-MQMHXKEQSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H](O)[C@@H](F)C3)ccc2Cl)OC1(C)C 2282502728 PBPVSKARRVHPOR-KBPBESRZSA-N 405.684 1.343 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282507955 ONSOBCLNLMXQQU-OCCSQVGLSA-N 400.375 1.546 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(O)(C(F)F)C1 2282827892 GAAXZXOZSRCZGV-UHFFFAOYSA-N 409.285 1.356 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]([C@H](C)O)C1 2282830958 CIPXEYIMYGIVKN-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@@H](CO)C2)OC1(C)C 2282877911 YNPLANUYZXECHS-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE CC(C)[C@H](C)[C@H](N)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881820 CVTVHFQWJZORSU-GXTWGEPZSA-N 402.391 1.945 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCCCS(C)(=O)=O)OC1(C)C 2282884021 IZTODDPDZNCWGO-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)O)s2)OC1(C)C 2284408695 YTSJIFYCKUOCNN-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)c1cc(I)sn1 2341990078 LMVCZUKQANWWHD-SECBINFHSA-N 410.302 1.979 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342045395 RGIRXDGZJMBALM-CMKODMSKSA-N 420.531 1.711 30 10 HDEE CC(C)(C#CC(=O)[C@@H](O)c1ccc(I)cc1)S(C)(=O)=O 2365211534 MGQDCZRDUKOVTP-ZDUSSCGKSA-N 406.241 1.720 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367797161 TZTONZPQCILNJP-HZPDHXFCSA-N 401.525 1.734 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(C)CCNC(=O)OC(C)(C)C 2367797586 NHUFVWCGOGZAGY-MRXNPFEDSA-N 401.573 1.392 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CO2 2368885136 KDVMQRDJWSDPSZ-QXGUJMOYSA-N 400.541 1.460 30 10 HDEE CNC(=O)[C@@H]1/C(=N/Nc2ccc(Cl)cc2)C(=O)N(C2CCCCC2)[C@@H]1C(=O)NC 6179172 YXOXXOSSIXLEPJ-OMDCNEBASA-N 419.913 1.760 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccc(Cl)cc2)CC1 54709494 WKCPGQKJRBDGHX-GOSISDBHSA-N 406.914 1.354 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 247661050 SHUJNGHYVJCLHU-UHFFFAOYSA-N 404.474 1.841 30 10 HDEE CCOC(=O)c1cnc2oc(C=NN3C[C@H](CN4CCOCC4)OC3=O)cc2c1O 263600762 KJBJCWYPEPHOKQ-ZDUSSCGKSA-N 418.406 1.197 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1)n1cnc(C#N)n1 409867777 LLTXYFBLUDNEMU-QMTHXVAHSA-N 403.240 1.173 30 10 HDEE CCc1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 426001947 CNFOUMXMWKFRHT-UHFFFAOYSA-N 417.491 1.633 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 437421470 VUEKIGFFOPTLMF-GOEBONIOSA-N 407.492 1.586 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)Cn2c(O)nc3ccccc3c2=O)CC1 438596355 AUOOGQRVMVJQSK-UHFFFAOYSA-N 419.441 1.875 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)cc1 442288594 DMTLFLMTWVXFHC-LJQANCHMSA-N 422.441 1.389 30 10 HDEE Cc1cc2c(N3CCN(C(=O)CNC(=O)c4ccc(C#N)cc4)CC3)ncnc2s1 444362868 HWSWNKMPRZNAIJ-UHFFFAOYSA-N 420.498 1.950 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@@H]1CCOC1 461557815 IAQXXNHDFUEISX-HOTGVXAUSA-N 420.477 1.951 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)CC1 462280508 NYZLYYKIJODMAB-CQSZACIVSA-N 424.954 1.965 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1COc2ccccc2O1 474590810 AKHXVHBWTMYTFV-DZGCQCFKSA-N 401.444 1.181 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1 481026139 SELFAKLLMTXWLQ-UHFFFAOYSA-N 401.463 1.914 30 10 HDEE N#Cc1cc2c(nc1NC(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)CCCC2 484161980 NQAJYWMPAOOILB-UHFFFAOYSA-N 415.453 1.842 30 10 HDEE CC1(C)CN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)C[C@]2(CCOC2)O1 485095213 NGHLXSUBNPSFGW-IBGZPJMESA-N 409.389 1.895 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1cnc(C)c(C#N)c1)CC2 489531274 GBUMUAIFEHVMSR-UHFFFAOYSA-N 406.489 1.311 30 10 HDEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503642008 JVKWQZLUQRYNPC-UHFFFAOYSA-N 406.508 1.103 30 10 HDEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 508492341 VYWXDKSAZBEZSU-CQSZACIVSA-N 420.395 1.297 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(CC)CC)CC1 508885089 METZLTTVBMHBNH-CQSZACIVSA-N 412.560 1.159 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccccc1-n1cccn1 512483704 KUFJQAMQHBVTMB-MRXNPFEDSA-N 402.462 1.954 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)CC2)o1 530309229 IGMUAAOKEWOYKX-HITPWQIZSA-N 408.502 1.696 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)CC1 539250474 XWOPDTKPZWQQDS-HXUWFJFHSA-N 418.586 1.339 30 10 HDEE COc1cc(C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C(=O)O)cc(OC)c1 548536734 RILOSBKWRFNCMC-QGZVFWFLSA-N 408.407 1.689 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 549279716 LEIPPXFLXXLIPL-YZLZLFLDSA-N 424.567 1.919 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 549682263 XYIRITMVNMTWAD-MSOLQXFVSA-N 418.542 1.075 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)Nc1nc(C(F)(F)F)cs1 551764809 FUJANNYABQENEA-UHFFFAOYSA-N 405.402 1.175 30 10 HDEE CN1C(=O)C[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 561631147 JIDKFCOWPOWMSM-CZUORRHYSA-N 405.821 1.213 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 564378013 KLJWPMORPBBLAI-CZUORRHYSA-N 407.496 1.358 30 10 HDEE CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1C 566590324 QHJAWQYCDQHXTA-UHFFFAOYSA-N 409.489 1.262 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(Cc3ccc(F)cc3)s2)CC1 578553548 QILMMAVDXDJNSB-UHFFFAOYSA-N 418.498 1.720 30 10 HDEE Cc1c(NC(=O)CNC(=O)c2ccc(C#N)cc2)cccc1N1C(=O)N[C@H](C)C1=O 578614423 YZXSBRMXKSODFP-CYBMUJFWSA-N 405.414 1.680 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@@H]1n1cccn1 581510621 ASGJFQIKIMHBTF-JZXOWHBKSA-N 417.491 1.142 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1 610926868 PPXCXSZQBDUNIX-HXUWFJFHSA-N 410.449 1.973 30 10 HDEE C=CCn1c(Cc2noc(-c3cnn(CC(F)(F)F)c3)n2)nnc1N1CCOCC1 685260416 PIECFWPJYHHQMN-UHFFFAOYSA-N 424.387 1.700 30 10 HDEE C#CCOc1ccc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 731012174 GMTHYXZSBPMZSR-UHFFFAOYSA-N 403.416 1.914 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 731197500 UVFUHORVKDPSOH-LHRNQBEKSA-N 408.336 1.377 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccccc1CN1CCCCC1 732443235 WKTPWMWXWLSHJN-MRCUWXFGSA-N 411.506 1.998 30 10 HDEE N#C[C@@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 732909911 IYUWUOBAFPOCCJ-NSHDSACASA-N 405.259 1.338 30 10 HDEE C=C(Cl)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 735969987 RNHFPKMIXZFNKR-JJXNMMKVSA-N 423.970 1.745 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 746327341 GKCMMXYBDPPUTO-QZDCPKGGSA-N 408.458 1.176 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 749289590 ALXFLZSWFSWZIG-CXAGYDPISA-N 413.521 1.499 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758452726 BTMIJKAKQGPTSR-UONOGXRCSA-N 411.503 1.959 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCCCCS(C)(=O)=O 759873578 OOCSUKLIMTXIOH-HXUWFJFHSA-N 420.487 1.520 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(Cl)c(C)c2)c1=O 760377913 MVHYPOXKSFTOIW-UHFFFAOYSA-N 417.918 1.785 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552847 RZTMEKTVVVPOOQ-JOCHJYFZSA-N 404.474 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 761041924 IGTWXEFZSLRZER-UHFFFAOYSA-N 401.467 1.238 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@]2(CCOC2)C1 769624177 PEVVBLYROIFIHM-HXUWFJFHSA-N 421.519 1.303 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CCc2nnnn2C)C1=O 771545876 UXWGRNGTNJCNRK-CQSZACIVSA-N 401.496 1.137 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@H](C#N)CC)c1)[C@H]1CCS(=O)(=O)C1 774216876 KIKTZAPWHPRMNB-IRXDYDNUSA-N 419.503 1.708 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2F)c1 776659759 IAODQILEFKAKHL-KRWDZBQOSA-N 422.409 1.822 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 777341975 JBPFGTLDOZRTCL-UHFFFAOYSA-N 412.427 1.729 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1)[C@@H]1CCS(=O)(=O)C1 782080670 CUBYYUIVULBMOX-LJQANCHMSA-N 418.519 1.009 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nnc3n2CCCC3)ccc1F 784487735 ZWXQCLUBFIPXQD-UHFFFAOYSA-N 407.471 1.190 30 10 HDEE C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@]3(CNC(=O)C3)C2)c1=S 788383569 RHXXSXBMKLPJGS-FQEVSTJZSA-N 404.584 1.798 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 788819044 VBXOWCXJROJXDD-INIZCTEOSA-N 403.504 1.699 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(N3CCOC3=O)c2)cc1C#N 789570688 KAXXZDRNKMPYIE-UHFFFAOYSA-N 408.414 1.456 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cnn(C)c1 796385368 SOGGDVOUZMRAEI-SJORKVTESA-N 402.499 1.527 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796426338 UHSTUISGYAPGRA-YWMUFLPLSA-N 417.510 1.706 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 802568871 PMZVTSHHZQLKJF-QXAKKESOSA-N 402.543 1.347 30 10 HDEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780556 CMYIADVRSCCGHX-VUAZUDAXSA-N 407.471 1.165 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc3n2CCOC3)c1 1125188727 HCJRTZNMOZSILV-LTGZKZEYSA-N 403.464 1.478 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Cc2ccc(Br)cc2C#N)C1=O 1126809073 OJNGGRLJNSLFHF-UGSOOPFHSA-N 419.279 1.700 30 10 HDEE COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1SC 1134645485 MKJXMCKPYJGJGC-MGPLVRAMSA-N 411.461 1.336 30 10 HDEE C=CC[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1 1136819920 HQKJQRGKLAQHCG-IAGOWNOFSA-N 409.895 1.808 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1 1163651905 FPGHVNCSVYJEMK-KRWDZBQOSA-N 403.442 1.591 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1170364456 FJEKVLXWHHSPOS-YRVHBCJASA-N 417.531 1.830 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)cc1 1184384142 RDKYMXPIFIAPEW-LJQANCHMSA-N 410.455 1.308 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3oc(C(C)(C)C)nc3c2)CC1 1199993415 CCSBRWMLDODQNJ-UHFFFAOYSA-N 419.507 1.742 30 10 HDEE C#CC1(F)CN(C(=O)NCCc2ccc(OCCN3CCN(C(C)=O)CC3)cc2)C1 1221721688 MKZWPCFQLUMRKI-UHFFFAOYSA-N 416.497 1.139 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1230563182 ZXEKBNPAQIRNDY-GFCCVEGCSA-N 418.313 1.971 30 10 HDEE Cn1ncc(I)c1CNC(=O)NCc1nc(C#N)cs1 1235703361 FOMQUBOINMGWBH-UHFFFAOYSA-N 402.221 1.352 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1248486082 UKZCPJXQCYUGIO-IBGZPJMESA-N 424.498 1.501 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259115472 QVRJRSUZZPIOET-QGZVFWFLSA-N 415.899 1.862 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1286276816 TVAXJENUEHGHJY-CYBMUJFWSA-N 417.539 1.141 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286383603 YFZGZNWGVSJFHC-VYDXJSESSA-N 421.567 1.479 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](OC)c1ccccc1 1286460877 KUOQOHRMSQINHP-LJQANCHMSA-N 411.506 1.988 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1286483401 JQTZMUUUSAVZBT-GCJKJVERSA-N 414.554 1.503 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286497382 QUTOVJVZNQGSDG-FUHIMQAGSA-N 424.567 1.753 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1286513465 VRDLTNDEDMKMEN-INIZCTEOSA-N 405.568 1.770 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCOCC1)C1CC1 1286737044 JQQKIOJRNWIYQV-QGZVFWFLSA-N 402.543 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nc(C)no2)C1 1286797995 FRAGBILIAVNOHJ-OAHLLOKOSA-N 403.487 1.522 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1286967410 ZXXRJSXMUPCHHU-AWEZNQCLSA-N 415.498 1.764 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)N(C)C 1288614412 FLPXYJRUFHVWBR-YOEHRIQHSA-N 402.524 1.390 30 10 HDEE N#C[C@]12CN(C(=O)CCCc3nc(O)c4ccccc4n3)C[C@H]1CS(=O)(=O)C2 1289438149 YPAJCBYIKFCWTH-ORAYPTAESA-N 400.460 1.055 30 10 HDEE CCN(CC)[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(OC)c1 1290523129 GBIYPAGPHDJDFJ-GOSISDBHSA-N 413.478 1.419 30 10 HDEE CN(C)CCn1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 1290747648 GCJIAWVHWNVDBU-UHFFFAOYSA-N 406.494 1.447 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)n[nH]2)c1C 1295192121 MZMNZYPRJPDROA-ZDUSSCGKSA-N 415.416 1.824 30 10 HDEE C=CCn1c(SCC(=O)NC[C@](C)(O)C(=O)OC)nnc1-c1ccc(Cl)cc1 1296145886 KTWNAVQEBJCKBF-SFHVURJKSA-N 424.910 1.917 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1296583982 HKJSBBVHZHKGNQ-QFBILLFUSA-N 423.539 1.105 30 10 HDEE CC[S@@](=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297812892 AVAWDEBTEJAFIJ-MUUNZHRXSA-N 402.524 1.780 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1300414024 CSAJFOBHWMPPTG-GOSISDBHSA-N 406.490 1.855 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](c1ccccc1)N1CCOCC1 1300460280 QTDURRHNMGTEIB-FQEVSTJZSA-N 405.506 1.822 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1300474120 ADBPPVAZJYJNEN-UONOGXRCSA-N 421.460 1.874 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300482210 DJBPVQIWOGHDDI-KBPBESRZSA-N 416.494 1.627 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300504688 QOPBJWPGTBXANF-BPQIPLTHSA-N 421.567 1.239 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCO[C@H]2C)CC1 1300701583 WODVUDDRLISBDN-WMZHIEFXSA-N 409.534 1.472 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300948902 HPGGURZVNGKYIT-HZPDHXFCSA-N 402.499 1.862 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1300950053 ZVYJBKFESZLSIC-FQUUOJAGSA-N 422.931 1.293 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301036127 BCBJCXDMWCZISG-NSHDSACASA-N 413.887 1.382 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1301297715 TXTAHGQIATVHIY-MRXNPFEDSA-N 418.519 1.896 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(N(C)C)CCOCC1 1301422149 AFJBSRHMJSPHQU-UHFFFAOYSA-N 401.515 1.485 30 10 HDEE CCn1c(=O)nc(O)c2c(C(=O)N(CC#N)CCC(=O)OC)cc(C(C)C)nc21 1302618371 RHYHVXXRSCXFHH-UHFFFAOYSA-N 401.423 1.169 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCn2cccn2)CCOC1 1303504235 GELLJPZQJJARQB-XLIONFOSSA-N 415.498 1.334 30 10 HDEE NS(=O)(=O)C[C@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1308005802 AWQMREQMYJGGPS-MRXNPFEDSA-N 417.453 1.316 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 1320199892 CTFSVVNBXMGEMP-SFHVURJKSA-N 406.914 1.975 30 10 HDEE CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1339504247 HVOAJORMKVEQTM-INIZCTEOSA-N 400.508 1.545 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1358871910 LXRJHWSDIKZCEH-NEPJUHHUSA-N 407.525 1.104 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1358928300 ZEEWQYAJTWXODE-OAQYLSRUSA-N 405.462 1.709 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)NC1CC1 1358952801 YEVYKOVVNHSZMZ-UHFFFAOYSA-N 400.508 1.398 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCS(C)(=O)=O 1358970921 ARINENFMZDVLST-UHFFFAOYSA-N 424.324 1.164 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCS(=O)(=O)C1 1358980672 FVCNRBQAVMHESD-HNNXBMFYSA-N 403.533 1.141 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCN(C)C1 1359016243 VIIGTKNVOLKXGK-JOCHJYFZSA-N 421.480 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)C2CC2)CC1 1359043619 AZEOVMZDNVURPX-MRXNPFEDSA-N 422.537 1.184 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)NC2CCCCC2)CC1 1359045539 LGBCWRKLTJALSK-UHFFFAOYSA-N 400.527 1.255 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1359177191 DQJZFHXCQQSUFA-INIZCTEOSA-N 419.555 1.363 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1359221932 SHYNYILLCXOUKB-UHFFFAOYSA-N 418.542 1.556 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(F)c1 1359240690 VLEYOVJCUPDMIM-KRWDZBQOSA-N 423.514 1.615 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1359282661 LLDITJVYJFKZCN-GOSISDBHSA-N 418.542 1.298 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359295456 BPFSOVXKPYILPZ-FQEVSTJZSA-N 419.533 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359297180 ICAKUCPSAQEZIV-VGSWGCGISA-N 411.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359307030 YJLUSSDAAQQCFZ-ZIAGYGMSSA-N 416.448 1.505 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNC(=O)C2CCC2)C1 1359318573 HVJDEIWRAOUVEJ-SFHVURJKSA-N 413.526 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CC(=O)NC(C)(C)C 1359330623 XPWZNHSKYHIUNJ-UHFFFAOYSA-N 420.539 1.292 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc2c(c1)OCO2 1359335957 ZUZBPMVVEJUJOL-UHFFFAOYSA-N 416.463 1.752 30 10 HDEE C=CCN(C(=O)Cc1csc(S[C@@H](CC)C(N)=O)n1)[C@H]1CCS(=O)(=O)C1 1359875109 HJSAWORDLZDRCB-STQMWFEESA-N 417.578 1.243 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCn2ccnn2)CCOC1 1360320510 YHZXBCIKVAYAMX-VQIMIIECSA-N 402.503 1.739 30 10 HDEE C=CCc1cc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc(OC)c1OC 1434919605 LGFNRIXDDMIVIG-UHFFFAOYSA-N 420.491 1.193 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C(=O)OC(C)(C)C)CCOC3)cc2C1=O 1437436518 ANRDUSUQACPDFS-OAQYLSRUSA-N 400.431 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[S@](=O)CC(F)(F)F)s1 1453316633 XJAOXDVSWYFLOV-DEOSSOPVSA-N 418.484 1.182 30 10 HDEE C=CC1(CC(=O)N2CCCC[C@H]2CS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1454447160 LCNCALVAVZTCCD-AWEZNQCLSA-N 401.529 1.469 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1456654077 IFTDHHQGHQZTGW-CABCVRRESA-N 408.480 1.053 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1462789021 KTZPPIHNCJOGAP-ZDUSSCGKSA-N 402.517 1.114 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)c3cccc(CNc4ncccc4C#N)c3)CCN2C1=O 1465710494 KCJPRDHSMNZCMW-SFHVURJKSA-N 418.457 1.674 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(-c2nnco2)cc1 1467760239 FXFYYEUDNNIHGL-UHFFFAOYSA-N 411.443 1.482 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)s1 1470528105 LIFFUUJWRVCLNR-CQSZACIVSA-N 413.565 1.518 30 10 HDEE C=CCNC(=O)CNC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1471275162 VYVGKGPLDCXLJG-UHFFFAOYSA-N 411.547 1.311 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 1471931834 RCJCJUZKAZSFHJ-UHFFFAOYSA-N 420.409 1.552 30 10 HDEE C=CCc1cc(C(=O)Nc2[nH]nc(OCCO)c2C(=O)OC)cc(OC)c1OC 1472584570 IROOJCLGAQZHIO-UHFFFAOYSA-N 405.407 1.565 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1 1475618481 VQXKWOXZRVZLTJ-LLVKDONJSA-N 402.341 1.439 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 1478639708 HBLFZRHMLQNZQZ-VQTJNVASSA-N 418.563 1.755 30 10 HDEE CCc1nnc(Cn2c(CC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)s1 1498563114 DXGXVIZERTYYLM-UHFFFAOYSA-N 409.523 1.896 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2conc2COC)CCOC1 1502628290 OOWXMLONBSTDHY-IFXJQAMLSA-N 404.471 1.709 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1503404077 XZBROGAQXJMHGE-RTBURBONSA-N 423.521 1.110 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1503413214 SBBSFENUGJPLOF-CZIZESTLSA-N 403.446 1.942 30 10 HDEE CO[C@@H](CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1503956390 CPHZLGDHSIHFMM-GJZGRUSLSA-N 410.400 1.960 30 10 HDEE COCc1nocc1Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1504658916 LYHVDZNFUQMZOI-KRWDZBQOSA-N 424.461 1.789 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507622894 MSOCZACETNMJEE-GOEBONIOSA-N 404.540 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCCC1 1507636323 CGCAJVJKBVGYHJ-SFHVURJKSA-N 405.506 1.730 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCN(C)C1 1507705483 DLNHNIAFVTXWCS-HXUWFJFHSA-N 414.466 1.006 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC2(C1)OCCO2 1507710531 QDPHNEHEQZVCCY-MRXNPFEDSA-N 400.483 1.308 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507795365 HYBHBVXFXCHHIR-HOJAQTOUSA-N 416.570 1.701 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507806532 AWAMBPCRAIHTIL-PLMTUMEDSA-N 419.526 1.190 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507835090 KQELVZWXRFDGBX-OXJNMPFZSA-N 404.515 1.547 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507893631 KHECKDQULUDAFS-ROUUACIJSA-N 403.527 1.968 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1507934592 HLSOTCZIKRVIEB-KRWDZBQOSA-N 424.567 1.922 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507940788 CKEOJJWXWQVTCP-HZPDHXFCSA-N 405.499 1.117 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508076594 HVCYJJYUPNOKOA-KSFYIVLOSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1508079853 FFXYEDCSLUVXET-AWEZNQCLSA-N 409.454 1.113 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1508322585 QVDCMTPFWZNAHY-SIKLNZKXSA-N 424.505 1.727 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1526695328 WKGZBOIBJJNMHN-SJORKVTESA-N 410.492 1.130 30 10 HDEE N#Cc1nc(NC(=O)CCCS(=O)(=O)N2CCCC2)ccc1Br 1529891977 HUGMOCMCQHSKHK-UHFFFAOYSA-N 401.286 1.860 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539218767 CQUFBHIZYYESIK-KRWDZBQOSA-N 404.540 1.308 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1539257324 IDAAEJKQQFZISW-OAQYLSRUSA-N 423.498 1.049 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1539382816 STJFCKCSIYXSCM-UHFFFAOYSA-N 418.519 1.902 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(OC)CCOC2)CC1 1539443940 BTYXVKLAPOHBAY-QFIPXVFZSA-N 411.506 1.514 30 10 HDEE C=CCn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1540861498 TZAKGEZADLYPAZ-HXUWFJFHSA-N 415.498 1.241 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCSC2(CCOCC2)C1 1540876872 DTSWESZWQKWJLK-OAHLLOKOSA-N 407.540 1.534 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCC(=O)N2CCOCC2)C1 1540887627 ANFIAUHJYOLOOB-QGZVFWFLSA-N 412.494 1.370 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)coc2C)CCOC1 1547919390 NNPDVXQFZWVTMH-OXJNMPFZSA-N 401.467 1.917 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2cn(C)cn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367885 UGKOROZQGBAZKE-INIZCTEOSA-N 420.395 1.388 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1555700325 NZCDPWLZGCUICV-RBUKOAKNSA-N 413.478 1.474 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC 1555753571 RUBVSQHXDLCGEN-SCTDSRPQSA-N 413.478 1.788 30 10 HDEE COC(CN(CCCO)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)OC 1556269370 MMWAHBDONXKABA-UHFFFAOYSA-N 407.316 1.738 30 10 HDEE COc1cccc([S@](=O)CC(=O)N2CCN(c3snc(C)c3C#N)CC2)c1 1556842250 CSSSNOJRBGGTBW-HHHXNRCGSA-N 404.517 1.788 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnc(C(F)(F)F)nc1 1557471944 BVIZXHHVYJNPHY-UHFFFAOYSA-N 413.381 1.240 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C[C@H]3CCCO3)C(=O)OC)n[nH]2)c1C 1558283895 ASXVOEFUWYLAHN-PBHICJAKSA-N 401.467 1.917 30 10 HDEE C=CC[C@H]1CCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1558703966 DXRLRMRCNHWGCY-HNNXBMFYSA-N 419.503 1.946 30 10 HDEE Cn1c(=O)[nH]c(N2CCC([C@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c1=O 1559201623 CQDFPCJXPVDKBV-SJLPKXTDSA-N 423.473 1.477 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN(CCO)CCN3CCOCC3)c2C#N)C1 1559584192 DQTYSBIVUVPHAR-MRXNPFEDSA-N 420.579 1.700 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)[C@@H](OCC)C[C@H]3O)c1 1565910845 HHFUABMNYFNKDY-MOPGFXCFSA-N 405.516 1.876 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585954111 ZJULNRUNSDGYSQ-NSHDSACASA-N 414.325 1.696 30 10 HDEE C[C@@H](CC(=O)Nc1cc(CO)cc(CO)c1)/N=C1/NS(=O)(=O)c2ccccc21 1586094175 GIGFIVXQWVNTJF-LBPRGKRZSA-N 403.460 1.127 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1587217371 KUPKSTDDRVUWPD-AWEZNQCLSA-N 423.922 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1587638302 CSHDKMWELNOJJH-DOTOQJQBSA-N 402.520 1.889 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1589483555 OYFKGOARKUZXNR-AUSJPIAWSA-N 404.515 1.099 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1594727277 NLYPHZCALQDYAH-SFHVURJKSA-N 418.542 1.713 30 10 HDEE C[C@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1594797753 SBBWATPZIGZTFP-XMSQKQJNSA-N 423.473 1.643 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1594802620 DSMOLYLOJGZHIJ-UHFFFAOYSA-N 414.514 1.265 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1594948315 DXEGBHSXTXZBNO-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(O)cc2)CC1 1595595462 VWTVLKNJZARXDJ-UHFFFAOYSA-N 400.483 1.149 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(N)=O)C1 1595639768 JUMDIKOFIVWFHB-INIZCTEOSA-N 412.494 1.341 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)COC)CC1 1595884085 HGWOPNXMLVIOMG-HNNXBMFYSA-N 409.556 1.433 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1596849188 FRBJAJZFKOXDAM-OIJAAMDRSA-N 420.564 1.777 30 10 HDEE CCOc1ccccc1-c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n[nH]1 1597372205 NUHGHKLGWAZQKU-DJJJIMSYSA-N 400.460 1.486 30 10 HDEE COC(=O)CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCCC1 1597414857 AWPWJRSPOHFURK-HNNXBMFYSA-N 421.519 1.997 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](CO)[C@@H]3C)nnc12 1611231708 UIJSCIVIYODJOB-UONOGXRCSA-N 413.503 1.552 30 10 HDEE CCOC(=O)N1CCC[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1611649099 VWJKHWVCFNOBJJ-AWEZNQCLSA-N 403.435 1.759 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCSCCCO)C2 1612514755 RENNBOUCDYPJLY-UHFFFAOYSA-N 424.534 1.853 30 10 HDEE CCn1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1615729564 MSLABFLKAKXPCO-OXQOHEQNSA-N 400.458 1.844 30 10 HDEE COc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)cc1Cl 1620635073 BRZGDAIWOZZVNN-APPDUMDISA-N 413.883 1.166 30 10 HDEE CN(C)C(=O)O[C@@H]1CCN(S(=O)(=O)c2cccc(Br)c2C#N)C1 1622162116 HENDQWPCRYHOOD-SNVBAGLBSA-N 402.270 1.782 30 10 HDEE CC(C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)NCC1CCCC1 1623361522 UOKWGURQMGIIHJ-UHFFFAOYSA-N 409.483 1.938 30 10 HDEE C=CCN1CCC(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)CC1 1627256163 SKJOWKREOMMJGJ-UHFFFAOYSA-N 400.541 1.290 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1628850390 ZCKXYWVFUBDKLU-HOCLYGCPSA-N 404.463 1.870 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1629029271 OGSKRMLENNDMIO-OAHLLOKOSA-N 407.341 1.849 30 10 HDEE CCO[C@H](C)c1noc(CN2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)n1 1629143520 YEARJBKBQNENCQ-CYBMUJFWSA-N 400.439 1.406 30 10 HDEE N#Cc1cn(CC(=O)NCc2ccc(OCc3ccccc3F)cc2)c(=O)nc1O 1632392752 GFTCYIZWTGVVRZ-UHFFFAOYSA-N 408.389 1.855 30 10 HDEE COCCNc1nc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 1633897845 KIJIXALGDJGVFD-QGZVFWFLSA-N 413.503 1.927 30 10 HDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 1635160618 RTIDGYYYZUMAOO-UHFFFAOYSA-N 420.354 1.003 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCS(=O)(=O)C[C@@H]2CCO)s1 1635345594 GVKWAMXYWQCSHS-LBPRGKRZSA-N 424.997 1.847 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2nc(COC)nn2C1 1635643141 NXDPACNGAQNDMD-OLZOCXBDSA-N 413.906 1.891 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)C[C@H]1CCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1635786777 MERBMWNBNYAIPJ-CYBMUJFWSA-N 423.470 1.161 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)s1 1636308407 DBSNZBWVSNDSAM-CABCVRRESA-N 414.549 1.551 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1636873340 ONAYMRVCXBGJBB-UHFFFAOYSA-N 421.523 1.470 30 10 HDEE C#Cc1ccc(NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)cc1 1637035348 URKQHLQQFXEBMS-IBGZPJMESA-N 413.499 1.836 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1638656485 OQLJLAZLFMYKJA-UHFFFAOYSA-N 416.478 1.807 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nc(CN3CCCCC3)no2)c1 1640563685 YDEIFJDOYOVJET-UHFFFAOYSA-N 416.503 1.783 30 10 HDEE COC(=O)[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CC1 1640843731 SVRZWBDOHJALJI-NVXWUHKLSA-N 412.446 1.469 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(F)(F)C[C@@H]2C(=O)OC)ccc1F 1641473994 OJLVPQVNPWNOHB-GFCCVEGCSA-N 406.382 1.313 30 10 HDEE CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1642251834 KQKSAVJDKCZOLK-IBGZPJMESA-N 419.547 1.575 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 1644584086 WUWKPBBNBJYRDL-PGRDOPGGSA-N 424.432 1.656 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1645274655 SOHSNEPHXSLSBU-IAGOWNOFSA-N 406.527 1.106 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1c(C)nc2ccc(Cl)cn12)c1cc[nH]n1 1647855990 ACMGTBRWBYHYRC-UHFFFAOYSA-N 404.814 1.942 30 10 HDEE CC(C)[C@H](NC1CCOCC1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040401 CYWGYEHHQLKDEL-SFHVURJKSA-N 403.479 1.684 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3CCS(=O)(=O)[C@@H](C)C3)ccc2c1=O 1649082393 KDXJMCJPYIRTQV-AAEUAGOBSA-N 407.517 1.567 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c2ccccc12)C(=O)OC 1661654601 RWIHDVROYYTDQQ-MRXNPFEDSA-N 407.444 1.649 30 10 HDEE C#CCCCS(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1663353182 UGUCUQKAJMNJOE-CYBMUJFWSA-N 404.326 1.942 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCn3c(COC)nnc3C2)cc1 1667321606 BBLREUIJOXSYDS-UHFFFAOYSA-N 420.495 1.279 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(C)C)c(Cl)c2)CC1 1667627602 UBSCWXNNBOSADR-UHFFFAOYSA-N 414.915 1.744 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1670252499 QFMXJLYRBQKYCN-GFCCVEGCSA-N 408.929 1.033 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 1676031150 SYEKJRFEFTWKNW-QZTJIDSGSA-N 422.526 1.376 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(CN(C)C)cs1 1685340214 HYICYXGWURCNKT-ZDUSSCGKSA-N 400.512 1.287 30 10 HDEE C#CCOc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 1685429381 DZMSIFGSDYVSQG-UHFFFAOYSA-N 419.425 1.812 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)NCc3ccc(C#N)cn3)C2)C1 1686682125 SLFWEIAXFKRVIH-HXUWFJFHSA-N 401.467 1.875 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1689986050 HREGXBCFWRQTSB-HNNXBMFYSA-N 401.492 1.003 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)[C@H](C)CCC 1690029662 HGGJEAJVVZXULX-GOSISDBHSA-N 412.538 1.529 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCOC)CC1 1690117365 FBOZBVSLPQYTES-UHFFFAOYSA-N 404.902 1.412 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCSC2)CC1 1690142573 QYHYXHBZSMMDJW-FQEVSTJZSA-N 414.535 1.107 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(=C)C)CC1 1690146243 IYRLGCSHMJSEPO-SFHVURJKSA-N 401.511 1.341 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1690319423 MHPNXRZTBZPIDJ-UHFFFAOYSA-N 418.523 1.141 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)CC1 1690456099 VPRWJMKPYOXFRD-UHFFFAOYSA-N 407.482 1.603 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(F)cn2)CC1 1690659028 HTHBSANJFWBZJH-OAHLLOKOSA-N 401.490 1.955 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690678498 YHINUSNHIYDTJQ-DLBZAZTESA-N 416.526 1.174 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCOCC2)C1 1690700813 YFYXXKRCUSBDKF-RTBURBONSA-N 405.543 1.676 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)C)c1 1693228774 BMDQLHUQGUVDCL-GOSISDBHSA-N 412.494 1.809 30 10 HDEE COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1698032667 CLRFLODRCKLZGD-WFXMLNOXSA-N 420.558 1.710 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)CC1 1705519906 BAGUIDXAJKVFEE-UHFFFAOYSA-N 412.460 1.888 30 10 HDEE C#CCCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705521385 AHQINKLAKFNNDG-WIYYLYMNSA-N 419.526 1.075 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1705547437 SCUVUXQJPZJZGO-QFIPXVFZSA-N 411.506 1.602 30 10 HDEE C=C(C)COCCn1c(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1705740605 QJFGYCZYYNSQMD-OAQYLSRUSA-N 418.542 1.983 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705830538 RVRYUIJYTMELPZ-RTBURBONSA-N 416.526 1.785 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccoc1 1705907213 DOXARTZNPFDWFH-UHFFFAOYSA-N 414.491 1.801 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccncc1Cl 1706070881 OTCUPTRIEAKKOP-RYUDHWBXSA-N 411.919 1.581 30 10 HDEE CC(C)N(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)C(C)C 1706074747 DAHTZXWLGWZYEC-DLBZAZTESA-N 410.588 1.895 30 10 HDEE CC(C)Cc1nnc(N(C)C2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1706375315 NORZYWRQUOIMMZ-UHFFFAOYSA-N 420.539 1.850 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1709088549 DEKDELUXJSMSRW-SFHVURJKSA-N 406.487 1.581 30 10 HDEE CCOc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1710521299 PATHSHSXYYJDJH-UHFFFAOYSA-N 422.445 1.802 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1710905283 DVVYOSKEBVTWRJ-WRONEBCDSA-N 415.519 1.581 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CCC1 1719765872 AYWOUHWPOKRQTG-SWBPCFCJSA-N 402.535 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722295531 LERGPXFUMCKWGO-JENIJYKNSA-N 410.522 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1F 1722390780 UUFIGLRYSMBYTN-HNNXBMFYSA-N 403.483 1.539 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1722397969 PWDNFLVJAYTXMI-MRXNPFEDSA-N 424.471 1.966 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)CCC)CC1 1722435782 OXFVISBWFMJNEC-JOCHJYFZSA-N 411.506 1.980 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722492218 DMUGKJSRGIKFGO-QRFRQXIXSA-N 404.559 1.604 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(C)(=O)=O 1722505209 IZPNKBODQIBWOX-HOCLYGCPSA-N 408.528 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCCCC1 1722724900 IVUZAISWHXYAAQ-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(N(CCO)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1740112618 HJWUQMNSTNJDMT-ZVXZJYCBSA-N 402.535 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1740532534 HVMOQRVOSZHCBO-HZPDHXFCSA-N 410.588 1.468 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1740553750 UHXYTNQHHLNQRS-WMLDXEAASA-N 400.504 1.717 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1740563705 VQXPFGIQDHQXHT-NHFHJCFSSA-N 417.554 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCCNS(C)(=O)=O 1740601377 ATGSJJDXBRLQML-UHFFFAOYSA-N 412.519 1.810 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1740633670 PGHUMDJDQWWKGP-OAHLLOKOSA-N 413.459 1.361 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)cc2)CC1 1740695158 HAGFIHBVVRNVFE-UHFFFAOYSA-N 403.490 1.742 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740952109 VDTMZCRMFOLKGB-UHFFFAOYSA-N 404.544 1.580 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCc1cnccn1 1740955277 OQPDKRTYNHNKNK-UHFFFAOYSA-N 407.478 1.725 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1741126477 SCNBKIGANHWGDB-JHJVBQTASA-N 416.498 1.920 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1cnn(C)n1 1741468894 OZJFWBFAJDBJGX-UHFFFAOYSA-N 421.509 1.773 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccccc1F 1748825367 VLLHIADSBGAQFI-UHFFFAOYSA-N 410.453 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1748892212 LGZCMOQOANQYCK-KRWDZBQOSA-N 414.535 1.042 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1748937661 OXTMENLGXDRGKQ-UHFFFAOYSA-N 411.441 1.667 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(F)(F)C1 1749741058 NYGIFMWKSMNTHU-KBPBESRZSA-N 420.482 1.448 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1749830812 QYJBKOUUUKVZIG-OPYAIIAOSA-N 419.526 1.877 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1750075820 HVEWFOXZKAFWPN-YYAJDYIMSA-N 413.478 1.926 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCCc1cnn(C)n1 1750112948 FWDGVPUWRKMRMG-VYDXJSESSA-N 402.503 1.502 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cc(CO)nn2)cc1 1750382418 FSUOLWKQPPZUSF-FQEVSTJZSA-N 421.440 1.433 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)n(C)n1 1751822759 HPSSCADIGSTVQZ-KDOFPFPSSA-N 420.543 1.109 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1760197157 XGIQBWJMLFTYMU-UGKGYDQZSA-N 415.538 1.112 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H](O)C1 1760208892 MLDBCCHHQMOWFQ-ROUUACIJSA-N 406.490 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1760219299 AKZCJRDVMRVISV-VQIMIIECSA-N 405.458 1.532 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1COc2ccccc2O1 1760247466 CGUKQTNZAMFWTJ-QGZVFWFLSA-N 408.462 1.605 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1760307258 OKVFTPVPMGHBNB-CHWSQXEVSA-N 421.303 1.571 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1760352788 YEVBEJPNMYWRRL-CRAIPNDOSA-N 410.544 1.611 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760526280 JTGTWTWWGULYGL-OLZOCXBDSA-N 406.487 1.366 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1760694816 VTUWKELVEZFKTJ-OAHLLOKOSA-N 424.509 1.768 30 10 HDEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1764130594 GRXZVDAVNGRAEZ-UHFFFAOYSA-N 412.494 2.000 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1767557943 BSLABDDJSPNKHA-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE CNC(=O)CCn1c(C2CC2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1767804282 FQKZSRXIRVYAEO-UHFFFAOYSA-N 407.522 1.876 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768194983 SVTVYKYMXWMOOT-ZPHPHTNESA-N 423.477 1.400 30 10 HDEE COCC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770924502 TYHZLNQSCMXEAT-HTXNQAPBSA-N 400.483 1.545 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC2=CCCOC2)CCO1 1771538706 GUUDXTVCIPRFTK-OAHLLOKOSA-N 414.491 1.345 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 1851218367 DLJNJTTVMCUBCZ-LJQANCHMSA-N 419.485 1.672 30 10 HDEE C=CCSc1ncccc1C(=O)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1851316677 BJFNDYWYJKNZNQ-UHFFFAOYSA-N 424.470 1.514 30 10 HDEE Cc1nc(C(=O)Nc2n[nH]c(N3CCOCC3)n2)c(C#N)c(C)c1Br 1851401058 HYYZVEYKQJQNMR-UHFFFAOYSA-N 406.244 1.540 30 10 HDEE N#Cc1cnc(C(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c(Cl)c1 1852396459 DUHPKWPDCDQPKD-WBVHZDCISA-N 424.844 1.775 30 10 HDEE Cc1ccccc1OCC(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1854014686 XAHCOHSWLNCHPV-MRXNPFEDSA-N 402.428 1.793 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCCC[C@@H](N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854072796 KLEFWRYYKHTGKR-SJLPKXTDSA-N 411.568 1.606 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1=O 1854179832 YMSCBQDDSNAYGV-HUUCEWRRSA-N 414.487 1.863 30 10 HDEE CN1C[C@@H](CN2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C23CCCC3)CC1=O 1854199091 GCTMNNYTMFTKCI-IBGZPJMESA-N 408.502 1.563 30 10 HDEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854418740 JXCYFDWUCVYMAU-AWEZNQCLSA-N 423.466 1.430 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(C[C@H]4COCCO4)CC3)CC2=O)cc1C#N 1854472692 BKTDRTMGSWIKHQ-RTWAWAEBSA-N 411.502 1.983 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1C#N 1854504405 DRIUNZGYNPPCKL-SFHVURJKSA-N 415.515 1.651 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)Cn3cnc(C4CC4)cc3=O)C1=O)CC2 1855176381 KMFWUOBTNHRLQI-AEFFLSMTSA-N 409.490 1.264 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@@H](C)C1=O 1855735485 MWKOHZFMYVTJFX-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(COc4ccccc4)C3)CC2=O)CC1=O 1855793262 ULRXCSWECAZBAE-IEBWSBKVSA-N 411.502 1.407 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CCC(F)(F)C3)C2)CC1 1855915422 JSEYCRBFNMCAJE-HOTGVXAUSA-N 417.460 1.886 30 10 HDEE CN1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)C1=O 1855997779 OKADOPWSCUQGNK-INIZCTEOSA-N 402.882 1.700 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccncc4F)C(=O)C3)C2)s1 1856309474 PGRUDWOPPVYHJM-CQSZACIVSA-N 413.478 1.713 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1CC(=O)N1CCCCCC1 1856511357 LBLFSQJZLCRRJR-UHFFFAOYSA-N 410.518 1.953 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccc(OC(C)C)n2)C1=O 1856757706 XWPHURFWPKJMSQ-QZTJIDSGSA-N 414.506 1.719 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857240112 JSYYZHUKARYCNR-VQIMIIECSA-N 401.482 1.852 30 10 HDEE CC(=O)Nc1cccc(NS(=O)(=O)CCNS(=O)(=O)c2ccccc2C#N)c1 1858006630 WWXYGSFDEBJVDF-UHFFFAOYSA-N 422.488 1.237 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1861298445 FZZKLBIBMQYSQA-FUHWJXTLSA-N 415.877 1.428 30 10 HDEE Cc1nnc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccccc2C#N)c2ccccc2)o1 1867029814 AYQNWRPGVFIROO-IEBWSBKVSA-N 419.441 1.888 30 10 HDEE Cc1ccc([C@H](C#N)NC(=O)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867601506 WQOWBAOJEBPFJN-KRWDZBQOSA-N 400.460 1.477 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868794217 ABLRXHRJWHSBIA-DLBZAZTESA-N 404.536 1.778 30 10 HDEE C[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869927851 FVNXTCOQUWIBKR-GUYCJALGSA-N 416.503 1.238 30 10 HDEE CC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCCO)CC1 1870349536 RBBAKLWOYLWZQV-UHFFFAOYSA-N 424.501 1.345 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)CC1=O 1872917953 OVOMNLSRXRYCOF-QGZVFWFLSA-N 412.490 1.857 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3cnnc(N4CCOCC4)c3)CC2)c1 1890102953 XRDRVOPQBJTONC-QGZVFWFLSA-N 406.490 1.903 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 1900400070 YOHKPEKRKOYQHM-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N1[C@H]2CCC[C@H]1CC(=NO)C2 2073514605 YQONCXRNAICAQJ-GJZGRUSLSA-N 405.476 1.850 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174789600 SJTJLXAZRCFSGM-CABCVRRESA-N 402.517 1.082 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)NC[C@@H]1CC1(Br)Br 2224802191 AXVFDCCKWBTDBY-QMMMGPOBSA-N 409.103 1.925 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 2237809106 XNRYJPXCXWKDAT-RVKKMQEKSA-N 401.529 1.728 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243407181 MXRZUKAMFQHMHP-UHFFFAOYSA-N 402.178 1.329 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248442221 VKLVGRRMPMXEMC-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE C=C(Br)CS(=O)(=O)NCCn1cc(CNC(=O)OC(C)(C)C)nn1 2250062431 PCHZBKLVGWGCJK-UHFFFAOYSA-N 424.321 1.131 30 10 HDEE C=CC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258171246 VAQANIPEPNXBIJ-KRWDZBQOSA-N 410.492 1.682 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3nccnn3)cc2Cl)OC1(C)C 2267359184 KILHCOCMGQGRII-UHFFFAOYSA-N 402.694 1.687 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2267470153 GIXOZCZJTMFHLI-YDGUKXNOSA-N 407.388 1.234 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270510529 WEQDKISYUDZLRS-GOSISDBHSA-N 416.455 1.467 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@H]2SC(=O)C=C2C1)[C@H](O)C(F)(F)F 2280098704 WXEJOPVMTFPJCN-USWWRNFRSA-N 410.414 1.604 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329498 NEBPWOMSSMSRJN-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCSC(C)(C)C1 2282336169 ZKHYCLBRPKWQPU-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CN([C@@H]1CCCSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282345117 NTSGKASEXQNBDJ-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1CO 2282351222 YCHDZVDXNXGQIQ-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1 2282508487 WZNRYBRCCJWWOA-BETUJISGSA-N 400.375 1.559 30 10 HDEE C[C@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282511625 NWCILFFDQLQGMF-NDHGSNPTSA-N 421.777 1.685 30 10 HDEE CN(CCCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2282632781 PBSVDWIJEZGXFP-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](O)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282870609 VFTRHHRCBPHBLM-ZWNOBZJWSA-N 401.359 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)CCC(=O)O)s2)OC1(C)C 2284403162 QZTBPDGZQPWIFU-RUZDIDTESA-N 423.343 1.309 30 10 HDEE CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284404788 ZQRMZUFMNBEIEP-NSHDSACASA-N 403.331 1.921 30 10 HDEE CC1(C)OB(/C=C/CNC(=O)Cc2csc(NS(C)(=O)=O)n2)OC1(C)C 2289436004 HMEKSQIDGMQEBA-VOTSOKGWSA-N 401.319 1.361 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(NN=Cc4cccc(O)c4)n3C)n(C)c2=O)cc1 2328607857 IYHCCCKTUBESKG-UHFFFAOYSA-N 418.457 1.942 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1ccc(Cl)cc1Cl 2330743879 KNDMMKHXSMDOSK-UHFFFAOYSA-N 401.279 1.681 30 10 HDEE CCOc1cc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)ccc1O 2330773077 QFGJBPXNFZOTMY-UHFFFAOYSA-N 407.452 1.166 30 10 HDEE N#CCCN1CCN(C2(C(=O)O)CCN(C(=O)OCc3ccccc3)CC2)CC1 2345208640 CVTCZDXIXDWJMQ-UHFFFAOYSA-N 400.479 1.774 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs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c1nc(C)cc(C)n1)N1CCN(C(=O)c2ccco2)CC1 14160931 QSFPUYZXVIZTOL-UHFFFAOYSA-N 401.496 1.417 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1 24732997 TZXXSYWWWPFLEA-UHFFFAOYSA-N 424.482 1.590 30 10 HDEE Cn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1[nH]/c(=N\N=Cc1cccs1)n2C 254798689 ZEAQGOYGHFKZNK-UHFFFAOYSA-N 412.450 1.551 30 10 HDEE C#CCn1c(=NC(=O)c2cn(C)nc2OC)sc2cc(S(C)(=O)=O)ccc21 254907367 HAKCXDCJNHHVRL-UHFFFAOYSA-N 404.473 1.223 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 434788552 WZJMREHYESYCEP-DJJJIMSYSA-N 401.492 1.551 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 438617727 HUKSLGVILMEIEK-UHFFFAOYSA-N 414.487 1.862 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@]2(N3CCOCC3)CCSC2)cn1 462100035 ZFMSNQSBWBGKKJ-LJQANCHMSA-N 413.507 1.468 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc4cc[nH]c4n3)CC2)cc1 462526067 LFRLILHUWKJVAA-UHFFFAOYSA-N 424.486 1.651 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)CC1 472435134 RWAMEPHTBALZGW-KZNAEPCWSA-N 418.519 1.532 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2ccnc(C#N)c2)CC1 475587669 GLFWCDYIXKOEJI-UHFFFAOYSA-N 413.522 1.960 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477531176 ZBVZKJOOIRVXCK-UHFFFAOYSA-N 418.585 1.137 30 10 HDEE N#Cc1cc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3)CC2)ccc1F 488699185 LDHFRUNHGUCKSR-UHFFFAOYSA-N 402.451 1.324 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 506675181 ZZCRPNIJJYNVGJ-WMZOPIPTSA-N 420.535 1.548 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 508847758 LKAKKZVVKLEOBB-XJKSGUPXSA-N 422.559 1.199 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508921745 MSGQEDJANRWMDI-SJORKVTESA-N 407.515 1.263 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)C[C@@H](C)C#N 519224316 CSEBMTJAKSARDK-HNNXBMFYSA-N 408.524 1.253 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 523226426 HSOYMPSLQHXUMN-IBGZPJMESA-N 419.485 1.659 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3COc4ccccc4C3=O)C2=O)cc1 538308781 AORDWGVONQYLOJ-DLBZAZTESA-N 418.409 1.523 30 10 HDEE C[C@@H]1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 539999606 SJRHSYXMXZFOOA-CVEARBPZSA-N 406.508 1.389 30 10 HDEE N#Cc1ccc(Cc2cnc(NC(=O)N3CCC[C@@H]3CS(N)(=O)=O)s2)cc1 543577420 RLWDLZITTKNQKX-CQSZACIVSA-N 405.505 1.890 30 10 HDEE COC(=O)COc1cccc(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 548899917 BWJVUOZPFDFKNJ-UHFFFAOYSA-N 422.441 1.656 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)C2)c(F)c1 553124159 SSLIWCNXZVITQS-MSOLQXFVSA-N 414.481 1.621 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCOC2)CC1 559239291 DCZARRCLJNAAGE-KRWDZBQOSA-N 414.510 1.307 30 10 HDEE C=CCOC[C@H]1NC(=O)N(Cc2ccccc2CS(=O)(=O)N2CCCC2)C1=O 567299428 SWEXOPHFASZLJW-QGZVFWFLSA-N 407.492 1.235 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCCOC)c(Cl)c2)CC1 605411036 ADAINTGRDCLWMD-UHFFFAOYSA-N 410.902 1.817 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1C 609737574 PAOSOGFSXNDTGH-QGZVFWFLSA-N 415.519 1.844 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(CC)c(=O)cc2C1 670197732 WVDJRYGPLWGCRM-UHFFFAOYSA-N 420.477 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 732010903 GEUHZGMSOUZPIM-INIZCTEOSA-N 407.492 1.599 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1Cl 742143295 HUSBCHPWZWYDNA-AWEZNQCLSA-N 401.875 1.777 30 10 HDEE Cc1ncc(Cl)c(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)n1 745375925 JHLRMLXGVFICHN-UHFFFAOYSA-N 404.814 1.112 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 746265761 AVONIAUJRSPDAC-GUDVDZBRSA-N 414.506 1.593 30 10 HDEE CCNC(=O)COc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495676 QUWUTCCFMIGCAN-UHFFFAOYSA-N 410.430 1.337 30 10 HDEE Cn1nc(CC(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c2ccccc2c1=O 751632058 KAVWPXJYPWSTQY-INIZCTEOSA-N 408.439 1.758 30 10 HDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)c1 752395200 XQJLSYQLWUILDJ-MRXNPFEDSA-N 406.471 1.819 30 10 HDEE C[C@H](CC(=O)Nc1cccc2c1OCC[C@H]2O)/N=C1/NS(=O)(=O)c2ccccc21 768471617 RAZDDDFKLOVDET-MLGOLLRUSA-N 415.471 1.958 30 10 HDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 769432793 GEYFGKQZZAPEJY-INIZCTEOSA-N 406.433 1.444 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774194840 XOQMHHHOUSZXOI-GOSISDBHSA-N 407.536 1.001 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 780178333 DGEFMFBRSSCXHY-FQEVSTJZSA-N 401.419 1.777 30 10 HDEE C=C(Br)CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 780828806 TYRGGVIQFJRJKW-UHFFFAOYSA-N 400.298 1.681 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(N=Cc3c(Br)cnn3C)C2=O)cc1 782151791 LGJVVXOXVIVVOW-INIZCTEOSA-N 406.240 1.992 30 10 HDEE Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 786545216 DYGNNFOLUBIDBL-QGZVFWFLSA-N 410.474 1.917 30 10 HDEE CCc1ccccc1N=C1S[C@@H](CC(=O)NC)C(=O)N1CCC1CS(=O)(=O)C1 786683123 PKJSLFPAHOMUCM-INIZCTEOSA-N 423.560 1.751 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C3(C)OCCO3)cc2)n1 788694630 RUGJSLXKAYXPLA-UHFFFAOYSA-N 419.503 1.573 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790659910 ZDTVYEVHBNYURO-RDTXWAMCSA-N 401.529 1.612 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CC1 793205491 WVDRKYFZGSWDSO-QGZVFWFLSA-N 403.504 1.736 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)CC1 797274026 BPCLFUACACPJPJ-WMLDXEAASA-N 418.450 1.839 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800775512 RMAUDVVOPGEWSA-HNNXBMFYSA-N 402.462 1.956 30 10 HDEE COc1ccc(OC)c2c1CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)C[C@@H]2O 804160569 WVKXCKQTRKLMCS-INIZCTEOSA-N 413.405 1.407 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 805766827 CMFHCJKMXKVYLP-HUUCEWRRSA-N 405.442 1.743 30 10 HDEE Cc1nc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)c(Br)n1C 806117493 YBWSDYFGSLULHC-UHFFFAOYSA-N 423.292 1.899 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ncccc3C)n2C[C@H]2CCCO2)CC1 812268052 GXBIWIWLGCCPGD-GOSISDBHSA-N 408.506 1.793 30 10 HDEE C=CCn1c(Cc2noc(Cc3cn(C)nc3Cl)n2)nnc1N1CCOCC1 815669982 JOIDUDDQWNQHTK-UHFFFAOYSA-N 404.862 1.252 30 10 HDEE COc1cc(I)c(Cl)cc1C(=O)N[C@@H]1CCN(O)C1=O 816691373 PWOALTCRNAHRMX-SECBINFHSA-N 410.595 1.673 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2ccccc2)n[nH]1 1084359544 ZCKUFXUCHCVFTP-UHFFFAOYSA-N 414.495 1.787 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3nccs3)n[nH]2)cn1 1084378493 PZXVNFAMINAURD-UHFFFAOYSA-N 407.485 1.281 30 10 HDEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1=C(O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@@H]1C2 1088692800 WIGMJSZAYZPVGO-PIGZYNQJSA-N 410.426 1.968 30 10 HDEE CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccccc1CC#N 1125089554 DHPBEHHOXIRLGG-QFIPXVFZSA-N 404.514 1.926 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1135889382 FQQUFTUGPUPPFL-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(Oc3ccccc3)cc2)CC1 1137370022 SHCSUDVFEVEHAE-UHFFFAOYSA-N 406.442 1.793 30 10 HDEE C[C@@]1(C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)NC(=O)NC1=O 1147998485 LRHASISYEBLYFB-SFHVURJKSA-N 419.279 1.700 30 10 HDEE CN(Cc1ccccc1)Cc1cccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1148392685 DZXKEKZCXCJSCB-UHFFFAOYSA-N 417.469 1.883 30 10 HDEE C[C@@H](CC(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1154034818 AEFVPYVYTHJFCL-IHRRRGAJSA-N 421.519 1.740 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1154695041 GXLHEAQGMPBQFQ-MRXNPFEDSA-N 423.510 1.566 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1nc2ncccc2cc1C#N 1163481017 UWJHFLQJVXKTOI-UHFFFAOYSA-N 401.423 1.803 30 10 HDEE Cn1ccnc1C1(O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1175696702 IEWSKDWBIUZWSL-RDYUPDBUSA-N 415.494 1.237 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2OC)cn1 1192327962 UKGXDWSDHIOSAJ-UHFFFAOYSA-N 402.245 1.905 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OCC)CC1 1196429788 PRCVCORQZYEXPJ-UHFFFAOYSA-N 421.519 1.334 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn([C@@H](C)c3ccccc3)c2)CC1 1206698978 NFQAXAZBLYXEBW-INIZCTEOSA-N 416.507 1.110 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccnn1CCc1ccccc1 1208473599 KPNFEGXGJNOEQA-QGZVFWFLSA-N 409.533 1.490 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1215356888 QAAGCEGIWJJJJD-UHFFFAOYSA-N 418.441 1.746 30 10 HDEE C=CCn1cc(CNC(=O)NCC2(COC)CCN(C(=O)OC(C)(C)C)CC2)nn1 1228190366 LEUMDMHTOHLYSG-UHFFFAOYSA-N 422.530 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286303825 DVPNATKMFBVSFK-CAOSSQGBSA-N 416.526 1.785 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCSCCCO 1286407273 GVNMMAHBICBPJU-UHFFFAOYSA-N 401.492 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1COCCO1 1286460460 NODJQORBAYULCB-KRWDZBQOSA-N 401.423 1.355 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCCOC2)CC1 1286482774 YSXZPSPIRVXJHH-KRWDZBQOSA-N 400.552 1.816 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC2(O)CCOCC2)CC1 1286490309 KHFAFNUWAJFANS-UHFFFAOYSA-N 415.538 1.443 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286630570 YOONXSNWLAOPFI-CQSZACIVSA-N 403.936 1.396 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1286727767 ZETLEDPOABPAQD-GOSISDBHSA-N 419.551 1.866 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1286780834 IZZQWIVXXKRVOW-QGZVFWFLSA-N 412.494 1.766 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(COC)CC2)nnc1[C@]1(OCC)CCOC1 1286792707 GBPUOLDLLJTJKI-FQEVSTJZSA-N 407.515 1.095 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1292084263 HORRYBOACQPDLE-HXUWFJFHSA-N 413.530 1.996 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](OC)c2ccccc2C(F)(F)F)CC1 1292890434 YXWSIFZMBNQARE-GOSISDBHSA-N 411.424 1.677 30 10 HDEE CCOC(Cn1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cn1)OCC 1296166323 GBNRZUATGYGSKI-HOCLYGCPSA-N 421.498 1.771 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)s1 1297359493 OMHPAYFKRRXRDK-GJZGRUSLSA-N 401.529 1.400 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1300320436 HSMKRXIIJSKSCH-QGZVFWFLSA-N 419.551 1.871 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1300478892 FULBQMDEGUSLOC-BRWVUGGUSA-N 419.551 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)CC 1300578718 GZENYXFGAWTRCR-NDEPHWFRSA-N 401.492 1.237 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCC(O)CC2)CC1 1300701060 FDCCGFLAEFKZJE-UHFFFAOYSA-N 422.577 1.601 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CSCCS2)CC1 1300703435 KINAIZGPMRPDFT-SFHVURJKSA-N 414.604 1.868 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1301390479 INCWSNUUXSSKOJ-IRXDYDNUSA-N 416.551 1.818 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc([C@H](C)O)cc1 1302095626 FNHRWXSVORYUCB-FCEWJHQRSA-N 415.494 1.832 30 10 HDEE C[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1305170595 MLJLJJUQQMYHLB-RMYFCYLKSA-N 400.483 1.687 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NC[C@H]1CCCN(CC#N)C1 1306650465 BZNBNCDFYJFPOA-CVEARBPZSA-N 407.540 1.331 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@@H](O)COc2ccccc2C#N)C1 1307445390 FXLLBKZYXNUMLV-ZWKOTPCHSA-N 403.479 1.031 30 10 HDEE Cc1oc(NC(=O)CN2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)c1C 1308155369 DBPXBXHYXWDQIG-UHFFFAOYSA-N 417.510 1.944 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OCC 1309806757 CVOOERDYCCGGLV-HNNXBMFYSA-N 413.448 1.436 30 10 HDEE N#CC1(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCC1 1312830031 OSQRQOLYJJHDGT-UHFFFAOYSA-N 420.491 1.214 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1313585805 LLNUFOFWZPYCLY-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(C#N)C1 1314551144 JPOBXIJYBXXHLX-LJQANCHMSA-N 419.555 1.743 30 10 HDEE COCc1nocc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1315875394 VYNCEYYJABVKLP-STQMWFEESA-N 408.484 1.101 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1316157343 QPLRIHUWNNJUQK-IERDGZPVSA-N 415.494 1.662 30 10 HDEE C=CCCC(=O)N(Cc1ccccc1)[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1O 1341919100 ZLWVMPMDKPXGLD-PKFZQDLRSA-N 410.514 1.977 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NCc3ccccc3)CC2=O)cc1Cl 1350281767 FNFCORPKOQPCDT-INIZCTEOSA-N 410.861 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1358871250 BVQJCIJLPLGJEH-KKUMJFAQSA-N 423.514 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C(C)C 1358886469 DVRLNBDIFKFUCP-CQSZACIVSA-N 400.483 1.626 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC(=O)NCc1ccco1 1358975477 SBBHUVPNGLCLSJ-UHFFFAOYSA-N 403.442 1.936 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1359013257 RALAVXZFJYOYGU-UHFFFAOYSA-N 414.554 1.505 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCC[C@H]1C 1359023189 CNKJWRSEGNMGEF-VFNWGFHPSA-N 415.494 1.643 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1359028464 SYQFEUTWDCHISY-QZTJIDSGSA-N 414.554 1.473 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1359057857 KVZXLUALYYVARY-QGZVFWFLSA-N 413.503 1.483 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359142071 AIGMKDRSUKLPFI-OLZOCXBDSA-N 413.935 1.368 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1359240141 GXTIHFPNBQUTEE-AWEZNQCLSA-N 406.508 1.868 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1359342621 BNYUTYAATOJPLG-CVEARBPZSA-N 414.597 1.962 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)COc1ccc(Br)cn1 1435551027 GBYANJQKRJSMEC-GFCCVEGCSA-N 417.267 1.622 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OC 1438403125 SEUYEUSXWOBPIC-INIZCTEOSA-N 418.450 1.501 30 10 HDEE CCNC(=O)c1cc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)c(C)s1 1454287523 YLKVYWLCPZXQMF-UHFFFAOYSA-N 407.452 1.452 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1456864260 RUJSGPWHPQXSCK-XJKSGUPXSA-N 405.838 1.355 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 1463087010 GATSWAXJUVCFMF-UHFFFAOYSA-N 403.442 1.524 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1464128232 IUMNFXJGPRZNLY-HNNXBMFYSA-N 402.451 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCC1CCN(CC#N)CC1 1465127095 VLIFKVYEBSRVMU-KRWDZBQOSA-N 406.527 1.754 30 10 HDEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1468172804 IZPGKKCXBMPYFC-FQEVSTJZSA-N 423.510 1.357 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nnc(C2CC2)s1 1469039540 NGNDWXXCWUILTO-UHFFFAOYSA-N 405.505 1.551 30 10 HDEE N#Cc1ccc(C2(NC(=O)Cn3cc(Br)c(O)nc3=O)CCC2)cc1 1469495532 ZOJNAFRRLRWQJG-UHFFFAOYSA-N 403.236 1.779 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c1 1470605951 KBOXVAGZQDXSSS-UHFFFAOYSA-N 414.487 1.535 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(I)ccc2N2CCOCC2)C1 1471607149 OMZIKPCBJJOXES-UHFFFAOYSA-N 414.218 1.925 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1474927280 FKCNUPIPAYIAOL-UHFFFAOYSA-N 418.494 1.776 30 10 HDEE C#C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1478896646 PYHUNDRZVGLVJY-AWEZNQCLSA-N 416.235 1.257 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc(Cl)nc3)CC2)c1C#N 1492727930 MRDBALOORFCUMO-UHFFFAOYSA-N 411.901 1.923 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1502687678 BQCDAMPDPRTSHO-UXHICEINSA-N 404.515 1.539 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](F)COC 1502917150 MXILATRJFFXKCT-CVEARBPZSA-N 419.457 1.969 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1504965648 PCGSTXRNYCNGQB-OXFYSEKESA-N 422.505 1.703 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOCC1(C)C 1505057692 SEMLKWVIQUPCCF-SQNIBIBYSA-N 420.558 1.851 30 10 HDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CC[C@@H]2COCCO2)CCO1 1505326176 WJWPGFSVSATRSU-UXHICEINSA-N 411.506 1.988 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H](C)CN2CCOCC2)c1 1507550624 NMARXUMIBFOPCR-GOSISDBHSA-N 424.549 1.865 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCS(C)(=O)=O)CC1 1507729221 ZHHAPBQEEJVWMK-UHFFFAOYSA-N 407.565 1.120 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1508079156 OYGOHZUCPIMCLM-HNNXBMFYSA-N 423.477 1.396 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CCN2CCN(C(C)=O)CC2)C1 1508109974 QCVYOKGPSAIDPQ-HKUYNNGSSA-N 404.559 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1508133318 HBXGTPSJJQHNDO-GJZGRUSLSA-N 419.507 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1508135706 NYLONFLZTWJYLC-UHFFFAOYSA-N 423.583 1.806 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C)C1 1508136527 UCGYZLSSQKIZGJ-HNNXBMFYSA-N 401.492 1.643 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1508160240 DCAXIYZFLZKRCL-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CCn1cc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1515776060 HRVYKELNGBDIGQ-LJQANCHMSA-N 423.477 1.956 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1ccnn1 1519294750 KSTXWVOKNSKMIK-APWZRJJASA-N 402.503 1.814 30 10 HDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539077555 FELULJKDYVEVSH-UHFFFAOYSA-N 407.522 1.855 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1 1539239764 QPNOUJRLTVFOED-AWEZNQCLSA-N 413.494 1.787 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1539345354 SZEHLVDUFLWAHW-OAQYLSRUSA-N 415.494 1.688 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC[S@@](=O)CC)CC1 1539473949 GATILXRCGANHGW-LJAQVGFWSA-N 413.547 1.680 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1539567426 WQNLADVQGMFREZ-PKTZIBPZSA-N 420.517 1.787 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539760149 WEXQFNDLFKKCGX-BZUAXINKSA-N 400.545 1.980 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCCS(C)(=O)=O 1541472279 DIAGYUVUBPDJGV-GOSISDBHSA-N 422.599 1.868 30 10 HDEE CC(C)CSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541593936 CKGIDBUJRRMWLQ-LSDHHAIUSA-N 413.569 1.298 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C2\SCC(=O)N2C)c1 1543097288 WNVVXLZERWFUNC-BQVKTAIQSA-N 408.505 1.485 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1544555611 WUSPDWZTALDMHZ-KRWDZBQOSA-N 405.506 1.746 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)Cn2cccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367778 NFPZYKQUZMRHTJ-INIZCTEOSA-N 420.395 1.237 30 10 HDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CC1 1552794703 HJLYIESNSGZRRK-HKUYNNGSSA-N 423.521 1.381 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn3c(-c4cccnc4)ccnc23)n1 1556461067 OJWBMAHSRYPFCQ-UHFFFAOYSA-N 415.457 1.910 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](n3nncc3I)C2)n1 1558107909 UTAODOJRHWBGKC-NSHDSACASA-N 408.203 1.627 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 1558329378 OTLWIIXSWZQRPN-ZDUSSCGKSA-N 418.346 1.876 30 10 HDEE C#CCN(C(=O)CNC(=O)NCc1ccco1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370863 SXNRSWCSWOPHIZ-UHFFFAOYSA-N 418.494 1.940 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](F)[C@H](F)C3)nnc12 1558984757 JHDCEMJNACIDSI-BETUJISGSA-N 405.430 1.841 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 1560128316 DTYGRWUGACRHPC-UAFMIMERSA-N 401.507 1.430 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2sc(C(=O)OC)cc2Br)nn1 1561675707 UAVKNKCPIVVKKW-UHFFFAOYSA-N 421.298 1.553 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc(C(=O)OC)ccc1Br 1561783120 RGMMZEBRWWTRFC-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE CC(C)(C)OC(=O)C1CC2(CC[C@@H](CNC(=O)NCCn3cnc(C#N)n3)O2)C1 1564723789 HETXSZXQFNHQNQ-BIWSTMPVSA-N 404.471 1.118 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cnc(Br)cn2)c1 1568987906 XRPULVHOKIGXQG-UHFFFAOYSA-N 408.277 1.966 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1583818207 YHOWSEQEVWBSLT-ROUUACIJSA-N 402.495 1.601 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1584771420 WUQUITZEAXUVNG-IBGZPJMESA-N 404.532 1.873 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1587803664 JFTQIZAMPWNVLT-UHFFFAOYSA-N 417.583 1.833 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1588132230 NYXYFAOLRIMMJU-SFHVURJKSA-N 412.471 1.435 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588741639 GHGQKSDSYPDYOS-ZWKOTPCHSA-N 424.540 1.903 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1593741614 SZAUNJWIKVDTPP-IRXDYDNUSA-N 418.542 1.515 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@@H]1C 1595496748 GANREIVMCBPSMF-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595561821 CRCPHFYVHYSRPR-QGZVFWFLSA-N 422.493 1.642 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 1596610874 YZDNJIRCVUSKSA-IBGZPJMESA-N 403.548 1.442 30 10 HDEE C#CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@@H]1CCS(=O)(=O)C1 1597138457 LUCQCGLAUFRLDT-CYBMUJFWSA-N 403.416 1.171 30 10 HDEE CCOC(=O)c1nn(CC#CCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 1613535174 CSBMXFQANRULMT-UHFFFAOYSA-N 415.405 1.873 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)C1CC1 1615213553 OWGFNBXFKDXQGM-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N1CC[C@](F)(C#N)C1 1617572520 FFAYGECEZDEYAD-UZLBHIALSA-N 403.506 1.540 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1620130455 KLCWDCGHXSDNQC-RMYFCYLKSA-N 411.466 1.035 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CC1 1621660026 IEXPOSLNLKDADW-UHFFFAOYSA-N 402.520 1.217 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F 1622325340 RKZPNXRXHNOJSM-NSHDSACASA-N 401.403 1.477 30 10 HDEE N#C[C@H](CO)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1624090849 MRFPXHSTSYURDQ-GFCCVEGCSA-N 400.416 1.155 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-n3cncn3)nc2)c1 1625565042 XHPXWQPXTFBDJK-UHFFFAOYSA-N 400.395 1.029 30 10 HDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 1625694105 YEHGZHGFJDSKMG-YWMAMYRUSA-N 406.483 1.665 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1625794345 HDXNOMGPOKZEGD-QGZVFWFLSA-N 422.894 1.317 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1625977175 RMHUKEPDFLJDBT-UHFFFAOYSA-N 415.416 1.049 30 10 HDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CCN(CCC(F)(F)F)CC1 1626357813 PGTFCKYUQVXHBW-MSUUIHNZSA-N 402.417 1.778 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1626976918 HYKQBGCSLJEYAI-ZULIPRJHSA-N 422.547 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)N[C@H](C#N)CO)c2C(F)F)CC1 1627548213 AKJUAHDMYDFWKC-SNVBAGLBSA-N 414.413 1.402 30 10 HDEE C[C@]1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)COc2ccccc2O1 1630344772 ZHQQIAQDJJXTHU-FQEVSTJZSA-N 400.456 1.819 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@]2(CN(Cc3ccccc3)C[C@@H](C)O2)C1 1633522554 LGIISNPYUQKJGB-NQIIRXRSSA-N 421.563 1.662 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Cn2nc(Br)c(Br)n2)C1=O 1634109497 CSXSCYLRNYEAPX-QMMMGPOBSA-N 421.093 1.048 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)C1 1634554775 IUUKLASPPBEQFA-IRXDYDNUSA-N 403.910 1.781 30 10 HDEE C[C@@]1(C2CCN(C(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)CC2)COC(=O)N1 1634965193 DINDQKLCCSJHSE-IBGZPJMESA-N 405.476 1.210 30 10 HDEE N#Cc1cc(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)ccn1 1635745510 NJWJYVYPWWNMNK-UHFFFAOYSA-N 401.220 1.758 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1636289328 QYWXGAZAOOKXRD-HXUWFJFHSA-N 409.467 1.683 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1638741070 TXYPWJWLNZIKPM-ACHSLPGTSA-N 423.535 1.066 30 10 HDEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1639962056 KTWXACGEPWEZSG-WOJBJXKFSA-N 408.437 1.968 30 10 HDEE C#CC1(O)CN(C(=O)c2ccccc2Sc2ccc(S(=O)(=O)NC)cc2)C1 1640070266 NXINOTGUPXNIOY-UHFFFAOYSA-N 402.497 1.566 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)COC1 1641702533 PULHZDOBTHUILW-HNNXBMFYSA-N 402.451 1.617 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNC(=O)c2cc(F)ccc2Br)C1 1644638386 POODFZUOEJJODE-CQSZACIVSA-N 410.287 1.922 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@H](C)C2)cc1 1644821575 NZGZFKNOGDXVME-DOMZBBRYSA-N 404.410 1.780 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CCNC(=O)O3)CC2)CC1 1648490748 ZSMZMPYMXHISNF-MRXNPFEDSA-N 417.535 1.421 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)C1 1648718988 AGFBZYXNAAUXCV-AVRDEDQJSA-N 408.458 1.753 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 1651193128 UQAMIZQNDWLANJ-HNNXBMFYSA-N 401.448 1.829 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 1652912162 BRGHDOCGPWVBHV-OAHLLOKOSA-N 417.491 1.583 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H]2CC[C@H]1C2 1653760606 YCKJPUOWXFWYAL-QENPMARHSA-N 414.462 1.352 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ncccc2Br)cc1 1653766065 GVZIZYFXZHVFIL-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 1654184667 YOFUEESWPPJVCC-HRAATJIYSA-N 401.463 1.652 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)CCC1 1655701856 VQHZZOSXPFNDTJ-XMSQKQJNSA-N 402.491 1.663 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1656068189 QYSKNIKXDXAFQN-LJQANCHMSA-N 420.531 1.825 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1661513080 NLACKJVFNBJSGS-LBPRGKRZSA-N 417.306 1.132 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1663395454 ATLSLQSPRKJDIH-RUZDIDTESA-N 418.924 1.677 30 10 HDEE COCCc1ccc(OC[C@@H](O)CNS(=O)(=O)c2ccc(C#N)c(C)c2)cc1 1665005516 DABTUZIUSBNXOK-SFHVURJKSA-N 404.488 1.774 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1668231535 PVWZCUCPCSSFEQ-MSOLQXFVSA-N 400.527 1.949 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1669754712 HTADQVLALIYMAL-CQSZACIVSA-N 403.446 1.943 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1677170819 ZSPVGFMSSCIBQZ-ZWKOTPCHSA-N 416.526 1.010 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1681350529 SVGUCSRCNXKFEY-SQNIBIBYSA-N 405.495 1.720 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)C1 1687593552 TUIQSGHJNAYVEO-UTKZUKDTSA-N 406.527 1.505 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1689873344 FJROEWLGYJKAKP-GOSISDBHSA-N 402.543 1.521 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1689913448 OJJRZSXBRCCJOO-CVEARBPZSA-N 409.556 1.433 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@@H]1C 1690031663 SUYQQTMMLYFROR-SFHVURJKSA-N 421.505 1.109 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ncnn1-c1ccccc1 1690099577 CPFBWLLSAIRPMV-UHFFFAOYSA-N 402.462 1.988 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCS(C)(=O)=O)CC1 1690119456 GBOGDVUIWYLBLQ-UHFFFAOYSA-N 405.499 1.274 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690311316 HPFQCQGROSGYBS-PKOBYXMFSA-N 400.527 1.941 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690496366 OVNJZIUJIFOPNU-OXJNMPFZSA-N 404.515 1.499 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)C1 1690675217 SEPYOCNFMWXAJQ-ZDUSSCGKSA-N 420.564 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccccc2C)CC1 1690715408 KQJHMPZERKRSHJ-UHFFFAOYSA-N 403.552 1.818 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1691001345 HMSHPGWJIIJAJK-RHSMWYFYSA-N 424.509 1.967 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1692850752 AJTYUWXEBHCEBL-SUMWQHHRSA-N 417.482 1.592 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1696579993 HVWYBEOXBDZAIB-QFIPXVFZSA-N 421.505 1.544 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1705492140 LZUGVPQAPMCLPU-RDJZCZTQSA-N 416.547 1.914 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705548200 ZAUFZPSATRDPBZ-SPEDKVCISA-N 419.570 1.887 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1705604863 VNCIXHSYJPPNIU-OAHLLOKOSA-N 424.571 1.187 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC12CCOCC2 1705630237 LIGPUQVMMFGIAP-KRWDZBQOSA-N 401.511 1.303 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705684779 BWGZUOKTAMBWQE-LBPRGKRZSA-N 419.287 1.200 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705825616 YEHHBSUJWSMISM-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1706058617 HGNMAJXVRKHATR-UXHICEINSA-N 424.505 1.727 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)c1 1712878459 MLRRHICLTCMGSX-MOPGFXCFSA-N 424.505 1.714 30 10 HDEE N#Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCNC(=O)CC2)o1 1712881031 LGPHMEQNXDVGTK-UHFFFAOYSA-N 406.446 1.739 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@@H]1CCOC1 1722387288 JCXHHSJSAPRGAO-GOSISDBHSA-N 422.489 1.584 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(C)(C)C2)CC1 1722432142 UAEJBEBFRJZGSU-OAHLLOKOSA-N 408.572 1.080 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCOCC2)CC1 1722439280 WEHYENHSDZAUDT-UHFFFAOYSA-N 408.550 1.476 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1noc(CC)n1 1722467026 KPXVKMJZFPVROE-FZKQIMNGSA-N 421.527 1.069 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1722518171 WFIYOLWMJXIJIB-QGZVFWFLSA-N 419.551 1.638 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 1722560386 YJZYQWKVISBAIT-CYBMUJFWSA-N 421.552 1.802 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1722580665 MMUKIIZJZYBDOX-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](CCOC)C1 1722727140 MDIXJLAYCHBVBU-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CC=CCC2)CC1=O 1729602866 NPPRHECMKHURRD-UHFFFAOYSA-N 421.505 1.269 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)cc1OC 1730073037 OXWWIDZTOZGMTJ-HXUWFJFHSA-N 419.457 1.803 30 10 HDEE CS[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1731046589 AILJVPDQPJVFDB-DZGCQCFKSA-N 400.508 1.792 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@H]2COCCO2)CCO1 1731187094 XJTGMHVUUIJPDO-IRXDYDNUSA-N 414.422 1.388 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740557118 LJVIYDLTQLQZBP-CVEARBPZSA-N 418.519 1.758 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740565356 SSVJTWAIESDIGK-OAQYLSRUSA-N 400.527 1.859 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740581244 SPFPFGGNXOYKGV-QGZVFWFLSA-N 404.478 1.515 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740592928 MVUGBJZINWEPRM-SFHVURJKSA-N 408.506 1.847 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1740624336 FMOTYFXAICVXHT-CQSZACIVSA-N 409.537 1.118 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740640927 ZLPOEQJNXIVXLC-RAUXBKROSA-N 405.502 1.357 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1740696309 QMVBXLDJNBDCLX-LJQANCHMSA-N 408.506 1.544 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740795039 MOQFHHBJOWUBPZ-QFBILLFUSA-N 410.540 1.390 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1740807551 FOTUXFOXLHGLGL-OAHLLOKOSA-N 413.873 1.388 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1740962023 PNIGXAOZBRVOKI-DZGCQCFKSA-N 424.427 1.722 30 10 HDEE CC(=O)N1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1741023919 ZHYLYISXHCMVSQ-QZTJIDSGSA-N 402.499 1.159 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1748744890 BKQTYFLTVKYIMT-UHFFFAOYSA-N 404.478 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCCCS1(=O)=O 1748836111 PXNRJQYULPGBHD-LJQANCHMSA-N 412.515 1.994 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(C)noc1C 1748949642 GQTNIPDKXXQORR-HXUWFJFHSA-N 403.483 1.669 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1749571711 PZBRDOSATSKZRS-QGZVFWFLSA-N 402.524 1.943 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccn2)C1 1749698697 WLKKFIXPTDQPAV-RDJZCZTQSA-N 420.539 1.307 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)C1 1750378330 HMQJJUJQGNQCRQ-VQIMIIECSA-N 418.498 1.673 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCn1cncn1 1750473317 AMPGLMWODFUOGV-UHFFFAOYSA-N 420.525 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1760099194 ZHLONVMBAKNAHO-JKSUJKDBSA-N 411.506 1.794 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1760123123 YLORTFZUEORILB-MSOLQXFVSA-N 408.506 1.907 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760191059 ZZJUWGCHMUJVRE-MRXNPFEDSA-N 405.549 1.671 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2c(C)coc2C)CC1 1760251914 KZPKDLZOEDEHLC-UHFFFAOYSA-N 419.489 1.939 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CC1 1760257857 KQUZDLDHLVHEPC-UHFFFAOYSA-N 419.464 1.382 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760427678 GPFBYMZVFCAESM-HUUCEWRRSA-N 418.585 1.406 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760449583 OFRCRMDCNJXCSP-UWJYYQICSA-N 418.542 1.123 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1760566560 WXDXQLMZFBUJKL-MRXNPFEDSA-N 424.596 1.859 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)O1 1764329569 YFMJGIONQTWXTG-JXXFODFXSA-N 402.499 1.477 30 10 HDEE CO[C@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1768008168 PFUAASZMLWJCHL-DGCLKSJQSA-N 409.288 1.810 30 10 HDEE C[C@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)n1nnc2ccccc2c1=O 1849523755 PVVPMKOYBZTSBG-OAHLLOKOSA-N 422.489 1.353 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N([C@H]2CCc3ccccc32)C1 1850493869 NSBCLTXCQYLMHY-PBHICJAKSA-N 409.467 1.788 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)COCc3nc(-c4ccncc4)no3)CC2)cc1 1851095896 KTZLSUMGLDYMDJ-UHFFFAOYSA-N 404.430 1.869 30 10 HDEE CC(C)[C@H](C(=O)N1CCC(C#N)(c2ccccc2)CC1)N1CCS(=O)(=O)CC1 1851761984 VZZJWVDCOJBROA-LJQANCHMSA-N 403.548 1.825 30 10 HDEE N#Cc1cc(Br)cnc1NC(=O)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1853310822 GHNMSSISIPCBTD-SNVBAGLBSA-N 413.297 1.858 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC4(COC4)C3)ccc21 1853903357 LOTTZOSCPFEZLT-CQSZACIVSA-N 404.488 1.726 30 10 HDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1 1853948292 LYKZVLVKQOOPSZ-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(C[C@H]3CCC(=O)N3C)c3ccccc32)CC1=O 1854057460 QGKBKSFIQZDPEO-JKSUJKDBSA-N 410.474 1.022 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CC[C@@H]4CCCO4)C(=O)C3)C2)cc1 1854201605 DAIAYHXLFMBKAW-SFTDATJTSA-N 410.518 1.763 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1855069062 KFXZZHQEUPPIAJ-UWJYYQICSA-N 400.454 1.121 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1855555402 NPHBLDSJQLVKHD-IBGZPJMESA-N 412.490 1.931 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1855587335 HPYGIRLWEBHSBH-INIZCTEOSA-N 400.479 1.472 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(CCN2CCOCCC2=O)C2(CCCC2)C1=O 1856034695 XIOUDMONJFJYFK-SFHVURJKSA-N 405.539 1.821 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856249167 JNQBAWXTHSOKMA-PMACEKPBSA-N 408.502 1.880 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N(C(C)C)[C@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1856443378 SUJHHIXWKGNXMP-ROUUACIJSA-N 403.504 1.505 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC(c4nncn4C)CC3)CC2=O)cc1C#N 1856959026 XEETVZZNEOXXLB-MRXNPFEDSA-N 406.490 1.864 30 10 HDEE C=CCCN1CCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C(=O)C1(C)C 1857095322 MRMSZYWIUVLXFT-UHFFFAOYSA-N 400.504 1.997 30 10 HDEE CN(C)c1cccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870144168 QPCZFAUZCBAVLF-UHFFFAOYSA-N 415.413 1.440 30 10 HDEE C=CCOc1cn(CCc2ccc(OC)cc2)c(CN(CCO)CCO)cc1=O 1870383962 PKNBOBZQJGANHO-UHFFFAOYSA-N 402.491 1.451 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCC(N(C)C)CC2)cc1=O 1870559050 SJNMKPXIENVGPE-UHFFFAOYSA-N 414.550 1.399 30 10 HDEE C#CCOc1cn(CCOC)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870559557 HESHAJFFGVEUBN-UHFFFAOYSA-N 411.502 1.838 30 10 HDEE COCCc1nnc(S)n1/N=C/c1c(C(=O)O)[nH]c2cc(OC)c(OC)cc12 1873502712 RIDMVRWUFWCZAO-QGMBQPNBSA-N 405.436 1.835 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1=NNC(=O)CC1 1874650486 INLVSPWDAXJZMD-IBGZPJMESA-N 407.474 1.662 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3c(F)cccc3F)CC2)CC1 1889324675 FMMXKSUYTKVZMV-UHFFFAOYSA-N 405.489 1.766 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc4c3OCCO4)CC2)CC1 1889374270 MHFZJRKIAKUGLH-UHFFFAOYSA-N 413.518 1.330 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1908254978 YNUKKVZTUOLWHF-QVHKTLOISA-N 423.319 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nnc(Br)s2)[C@@H](C#N)C1 1985857586 CKKFRZSAPUODRR-QMMMGPOBSA-N 402.274 1.886 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 1987702378 RIAGPTTXVDAORV-AWEZNQCLSA-N 410.320 1.910 30 10 HDEE CC(C)(C)OC(=O)NC1CCN([C@@H]2CCN(C(=O)C#CBr)C2)CC1 2006219862 CUHLVIRNQBXYHN-CQSZACIVSA-N 400.317 1.932 30 10 HDEE C#CCNC(=O)[C@@H](C)[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074680445 KYLPITKUDKYJGI-YCYNLCBSSA-N 408.476 1.031 30 10 HDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)cc1N 2106664347 KVECJJIRPGQTIV-VWLOTQADSA-N 402.498 1.452 30 10 HDEE CC1(C)OB(c2cnc(N3CCSC[C@@H]3S(C)(=O)=O)c(Cl)c2)OC1(C)C 2172716384 XODJLICMEPDDBU-ZDUSSCGKSA-N 418.777 1.958 30 10 HDEE COCCC1(NS(=O)(=O)N2CC(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2174784553 PHXIWDRWEGYRHN-UHFFFAOYSA-N 402.517 1.082 30 10 HDEE C#CCOCCOCCNC(=O)CC1(NC(=O)OC(C)(C)C)CCSCC1 2189864994 WJHRQSNIYOUKRX-UHFFFAOYSA-N 400.541 1.950 30 10 HDEE CO[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195308069 ODNHTUWWRQZDQX-STQMWFEESA-N 404.529 1.926 30 10 HDEE C[C@H](NC(=O)N[C@@H](C)S(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2203126763 SCRDMINDKLVQBO-WDEREUQCSA-N 402.347 1.798 30 10 HDEE Cc1cnc(N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212756870 FQKIEDLTCAZKFP-AWEZNQCLSA-N 407.320 1.987 30 10 HDEE CN(C[C@@]1(O)CCCN(Cc2ccccc2)C1)C(=O)C#CCNC(=O)OC(C)(C)C 2244388015 TVFAAJYMFAHEDH-QHCPKHFHSA-N 415.534 2.000 30 10 HDEE CC(C)[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247812932 HXMFMTPTTNILJU-AWEZNQCLSA-N 422.335 1.988 30 10 HDEE CN(C[C@@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247863166 NCXABJXUSKXRPF-GOSISDBHSA-N 414.311 1.964 30 10 HDEE C=CC[C@]1(CN)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272085279 QIEPRUIFTATLPR-WOJBJXKFSA-N 423.510 1.568 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCS(=O)(=O)C1 2281959720 PTKBAYXALDSQML-LLVKDONJSA-N 400.331 1.058 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281970623 FZZHRWCSRYAIOE-UKRRQHHQSA-N 405.304 1.333 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CCNC[C@@H]3C4)cc2Cl)OC1(C)C 2282311117 DGYAUQZYOKFEFF-MGPLVRAMSA-N 418.777 1.731 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](CN)C1CC1 2282315308 MFOQEVZSKLHUNG-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CO[C@@H](CCO)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325160 AEEUMNLFNODERC-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE CC1(C)[C@H](O)C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329323 LAKSVVRDCLNCES-NWDGAFQWSA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@](C)(CCO)C3)c2)OC1(C)C 2282337103 DVLCKJTYNZCUGK-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CC(C)[C@H]1CNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342702 KYEQQGKRUFNYNV-CQSZACIVSA-N 400.375 1.666 30 10 HDEE CN(C[C@H]1CCCS1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282350038 HHVGBZRUSGJYIK-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE COC(=O)[C@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491938 PCHZPZRTNJCOSQ-GFCCVEGCSA-N 401.315 1.373 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H](N)C2CC2)OC1(C)C 2282492280 QKXXSJQXGBJNKE-CQSZACIVSA-N 400.737 1.655 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CNC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282506184 OPKMJUWMSSUXDZ-MFKMUULPSA-N 400.375 1.550 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC[C@@H](C2OCCO2)C1 2282538614 ILYIDDSYVUWSOF-CQSZACIVSA-N 403.284 1.829 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)n1 2282545548 SBLLDHMYUIZTQZ-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282602761 XQXQBWUMLFZYRD-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC(C)[C@@H](O)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828578 QSYGOQGKOBBJAV-AWEZNQCLSA-N 403.737 1.934 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282832862 SNGPCHGLJMVWJF-SSINHNECSA-N 405.322 1.170 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2OCC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282836947 AFMJEDWHLRRBPK-NEPJUHHUSA-N 405.322 1.761 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@@](C)(O)C2)OC1(C)C 2282838406 ODVWTPLSEXULOH-CXAGYDPISA-N 401.359 1.770 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC(CCN)C2)OC1(C)C 2282866467 JYRASLCHNWTKFM-UHFFFAOYSA-N 400.737 1.609 30 10 HDEE C[C@@H]1COC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282869451 CUPFDOBZLDGCKR-RISCZKNCSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCONC3)ccc2Cl)OC1(C)C 2282871674 KNJGZIFWVVUVQQ-LLVKDONJSA-N 402.709 1.211 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CSC[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873461 LQKTYEBARFGZRX-ZYHUDNBSSA-N 401.363 1.058 30 10 HDEE CC[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882492 MNCGQWWDDZIKGR-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883219 XMDGGANRUOYDQE-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@](C)(CO)C2)OC1(C)C 2282884087 JUFASGLMGLACNO-WJYNOGRTSA-N 401.359 1.628 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284398172 VDRSINNIDXERIX-UHFFFAOYSA-N 423.749 1.657 30 10 HDEE C#CCN(C(=O)C[C@H](C)C(C)(C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2286841402 NZSDSMSMEYNEMP-LSDHHAIUSA-N 400.541 1.965 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 2296608956 VEKXWVGKQLHWPO-KRWDZBQOSA-N 400.435 1.373 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@H]1[C@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2310481155 BXKBFHZHHDYYBN-MGPQQGTHSA-N 419.316 1.641 30 10 HDEE C[C@@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s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c1ncns1)NC(=O)OC(C)(C)C 2365213656 VZLWHVOQMIXMEV-OLZOCXBDSA-N 416.569 1.389 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2365214272 YXKMQPUTKHDJCY-SPYBWZPUSA-N 402.557 1.721 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367783044 DCZJOPWMVHKUBI-ARFHVFGLSA-N 400.541 1.617 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H]1COCCN1C(=O)OC(C)(C)C 2367793658 WOOGHESWCUURER-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367811508 JBTREPGDHKKQAD-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367812005 OJEYEOCUUADOED-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367816942 JMSDTMXXVSWHSU-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE C=C1C(=O)[C@@]23C[C@@H]1C[C@@H](O)[C@@H]2[C@]1(COC(C)=O)[C@@H](CO)C(C)(C)CC[C@H]1OC3=O 608057 OCELUFZNLBUKGF-ZYKAUFGLSA-N 406.475 1.402 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)Nc1nncs1 58997437 NZSSMWBXWRYIPZ-LNKIKWGQSA-N 421.424 1.447 30 10 HDEE COc1ccccc1CNC(=O)C(=O)NCC1CCN(c2ncccc2C#N)CC1 70896849 PTSYFNKKSVSQMU-UHFFFAOYSA-N 407.474 1.611 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1 96353245 BUPYNSUVLJWHPW-UHFFFAOYSA-N 413.455 1.333 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)cc1 303496680 QUFKSLMBDSIAPO-INIZCTEOSA-N 413.503 1.544 30 10 HDEE N#Cc1cc(N2CCN(C3CC3)C(=O)C2)cc(N2CCN(C3CC3)C(=O)C2)c1[N+](=O)[O-] 409647222 WCIHAGCJAVIPHG-UHFFFAOYSA-N 424.461 1.088 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1=O 410178600 NLHNUWLIJFESCQ-HKUYNNGSSA-N 401.482 1.852 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 488138522 MZCHNTIOHWJFSK-UONOGXRCSA-N 406.508 1.543 30 10 HDEE CCn1cc([C@H]2C[S@](=O)CCN2CCS(=O)(=O)c2cccc(C#N)c2)cn1 488170221 VLLVTQGLNLTDNP-WXTAPIANSA-N 406.533 1.354 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489179925 QBWYPYJSMMPURB-JCGIZDLHSA-N 414.531 1.723 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)sc2nc3n(c(=O)c12)CCCCC3 503645350 UIMOJUGSOCQANM-UHFFFAOYSA-N 413.503 1.691 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 505995212 BSOBAGFIYLKOGQ-LJQANCHMSA-N 421.505 1.945 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)CCCC(=O)Nc1ccccc1C#N 506669980 OJGXPFAFQPLWIX-DOTOQJQBSA-N 406.508 1.501 30 10 HDEE CC1(C#N)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 507830611 ZPYXNTXPXVFJOI-UHFFFAOYSA-N 405.520 1.792 30 10 HDEE CCc1c(C(=O)Nc2ncccc2OCCCC#N)cnc2c1c(=O)n(C)c(=O)n2C 513822737 ILJJEPCEHVMGFD-UHFFFAOYSA-N 422.445 1.524 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C1CC1 516829416 PBIAGWRCUSDPSB-UHFFFAOYSA-N 421.522 1.839 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 522675030 ZHXSWGVJTKTSDK-UHFFFAOYSA-N 401.469 1.938 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 525320666 IUHFZBACOJJCFB-QGZVFWFLSA-N 419.913 1.075 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)nn1-c1cccc(C#N)c1 542154839 ONKOSEQSQGZIPN-SFHVURJKSA-N 417.473 1.707 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 549273952 JEDZSXVOWCAYIM-BEFAXECRSA-N 410.540 1.531 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCC(c2nc(O)n[nH]2)CC1 549559915 MWFCBTNHNVAKCO-UHFFFAOYSA-N 401.370 1.969 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCOC2)cn1 549688003 PLUDZIKHFLTVPD-INIZCTEOSA-N 419.493 1.308 30 10 HDEE CNS(=O)(=O)c1ccc([C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)cc1 553253405 KDRSHKWYLIKKKA-AWEZNQCLSA-N 407.517 1.591 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 558656697 UUWJRNJSHOFYNM-UHFFFAOYSA-N 424.549 1.593 30 10 HDEE N#CCc1cccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 588139292 XCGMNIIVKNGPBT-SJORKVTESA-N 411.483 1.950 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c1C#N 589608516 ADOUIXHRIGKFNJ-HNNXBMFYSA-N 412.523 1.614 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Oc4cccc(C#N)c4)nc3)cnc21 603623100 DXVNOXNZKYNACB-UHFFFAOYSA-N 401.386 1.828 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CCOc2ccccc2C#N)CC1 609040677 FHBBUYORYJNITJ-UHFFFAOYSA-N 400.504 1.667 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@H](C)O1 609891551 DSVMVXMZHAKZOM-HOTGVXAUSA-N 415.519 1.582 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@@H](O)CC(F)(F)C2)CC1 615821104 GHNVNIMVKCMEHO-ZDUSSCGKSA-N 421.404 1.157 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCCN(C(N)=O)CC2)cc1OC 729360573 VBZDSVPOQGBMPF-UHFFFAOYSA-N 406.483 1.838 30 10 HDEE Cc1ccc(-c2nc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cs2)cc1 732908536 NYUIGUZMJHDNJP-AWEZNQCLSA-N 403.485 1.698 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)CC1 735867759 FONYVIYWGCJLFD-UHFFFAOYSA-N 413.478 1.100 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cccc(COCC2CC2)c1 737304741 BBCNZAPZIOVJQK-VHEBQXMUSA-N 412.446 1.194 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 737305163 FRFCUYLLSJLTLS-ISLYRVAYSA-N 415.425 1.007 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 744560379 ABBMURKPPQGLDB-MRXNPFEDSA-N 418.475 1.155 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c1 750039848 LIOHUJSQMZSOTP-UHFFFAOYSA-N 417.462 1.720 30 10 HDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751660561 YMBNGVVBAURCCW-DLBZAZTESA-N 404.536 1.783 30 10 HDEE C#CCN(C(=O)NCCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCS(=O)(=O)C1 753263414 QHYCNUJIOQYHPX-MRXNPFEDSA-N 420.466 1.640 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cn1nc(-c2ccc(F)cc2)ccc1=O 756884076 KKMCISGGWRSMRN-OAHLLOKOSA-N 405.437 1.879 30 10 HDEE C#CCN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@@H]1CCOc2ccc(Br)cc21 773380169 BSMTZMKIWSMQGG-QWHCGFSZSA-N 406.236 1.333 30 10 HDEE O=C(O)C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1F 776659200 YYJCTZSLJALXFN-AWEZNQCLSA-N 423.397 1.336 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)c1 777774183 ACDGYDXSUPQREE-UHFFFAOYSA-N 400.416 1.100 30 10 HDEE COc1cc(Br)ccc1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 779569697 HLUGTXNUOSCHGC-NXVVXOECSA-N 423.267 1.783 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cc1 780939004 GLKANKWEGZCNBB-NHCUHLMSSA-N 404.470 1.541 30 10 HDEE Cn1nnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 782885377 SPRYTHJSPZZKCQ-ZDUSSCGKSA-N 403.443 1.150 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)n1 788814582 QUCGVBLVXIMEFF-ROUUACIJSA-N 400.479 1.057 30 10 HDEE C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(=O)N(C)CCC#N 796422441 FOSKRLFOKKXUKG-QRTARXTBSA-N 403.483 1.412 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 798036681 MUHSZDVKXXQRER-QOEFQVSFSA-N 415.490 1.868 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798745406 ZGQAGTRNROZTML-DZGCQCFKSA-N 411.418 1.389 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 802568869 PMZVTSHHZQLKJF-BHIYHBOVSA-N 402.543 1.347 30 10 HDEE CNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1 813563680 YSBNRLJXNGMWOG-HOCLYGCPSA-N 419.551 1.129 30 10 HDEE Cn1ncc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1I 816106278 HPMFYOCAXCIIGU-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(F)ccc1Br 1127219533 CSDKKCWAEWHDIR-JTQLQIEISA-N 405.231 1.996 30 10 HDEE Cn1c(=O)c2cc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)sc2n(C)c1=O 1132134195 FPSQAIJSDJPTPK-UHFFFAOYSA-N 424.482 1.606 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCS(=O)(=O)CC3)C2)C1 1136241338 MNBJKKFQDPRURK-BIWSTMPVSA-N 411.524 1.467 30 10 HDEE CCOC(=O)[C@](C)(O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1138071524 VJXBMPUUHBVVSP-YDQHMYHOSA-N 409.483 1.204 30 10 HDEE C#C[C@@H](CO)NC(=O)CCSCc1nc(=O)c2c(C)c(C(=O)OCC)sc2[nH]1 1141496064 LWYBYMHVOCPENP-NSHDSACASA-N 423.516 1.203 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(C(=O)c3cccc(C#CCO)c3)CC2)nc1 1147011965 FHXRAIRGYNMFJJ-UHFFFAOYSA-N 407.470 1.811 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)cc1 1154283022 BUMDBPNEPLRJQH-NRFANRHFSA-N 418.515 1.883 30 10 HDEE CCO[C@@H]1C[C@@H](NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)[C@@H]1SC 1171511319 RZOCLQMQHPQSBK-NNFUDEMPSA-N 408.593 1.956 30 10 HDEE CCO[C@@H]1C[C@@H](NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H]1SC 1171511321 RZOCLQMQHPQSBK-OLMMMNRUSA-N 408.593 1.956 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)c2cc(C#N)c(SC)nc2O)cc1 1171713016 HIHKAUDRFFBVTC-UHFFFAOYSA-N 406.489 1.261 30 10 HDEE COc1ccc(C[C@@](C)(CO)NCCS(=O)(=O)c2cccc(C#N)c2)cc1OC 1176601066 XSEYNGVGJUDCKE-NRFANRHFSA-N 418.515 1.932 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OCC)C[C@@H]1CO 1180244853 RFUOUMVDQXNSIE-OWCLPIDISA-N 413.515 1.801 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)CC2)o1 1198218145 CYBLYPUGZPWQOS-FQEVSTJZSA-N 420.473 1.448 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1 1198692114 ULTVVLRFDWHVAB-MRXNPFEDSA-N 406.450 1.441 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1222339695 JFXQSDGVIAXIGE-OAHLLOKOSA-N 411.549 1.509 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC[C@@H](Nc3ncccn3)C2)C1 1233853390 PHIOKRJTEQWFPH-ZNMIVQPWSA-N 401.471 1.431 30 10 HDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1251286521 HEWDVPLGOYCKCI-LSDHHAIUSA-N 413.540 1.464 30 10 HDEE COc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1C#N 1254695104 PWZWTTNPSCTPOT-QRQLOZEOSA-N 414.506 1.908 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1286269173 CSXXAXSXPHOSOF-ZBFHGGJFSA-N 409.556 1.622 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286325322 UNBCGNMFTDEVRG-YLJYHZDGSA-N 406.552 1.991 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1286377884 BWIWJCOGPYJJPQ-UHFFFAOYSA-N 406.490 1.669 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1286464238 XPBFEODOOFWEFJ-UHFFFAOYSA-N 402.462 1.489 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1286469691 JKOWJHFJSMDPFQ-SFHVURJKSA-N 424.553 1.254 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](F)C2)CC1 1286469716 JWCCLXGIIHGBDV-SJORKVTESA-N 411.485 1.819 30 10 HDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 1286676137 WPWJHIRITROCNU-KRWDZBQOSA-N 412.542 1.956 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286711666 QQPKGQDGIVUBBH-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793835 NIJIKLAXXDSTNW-JXFKEZNVSA-N 407.515 1.236 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOCC1CCOCC1 1288099906 JYAALLDPVPSQNP-HXUWFJFHSA-N 422.505 1.692 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]23CCC(=O)N2CCS3)n1 1292624442 BEWUZPODELJODT-INIZCTEOSA-N 422.561 1.804 30 10 HDEE COCC1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1295924513 YZDLNYSIZFXGLU-NGEICVOHSA-N 407.511 1.773 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 1298092020 AQKGAQAWHMECCS-FQEVSTJZSA-N 402.454 1.834 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@@H](C)CC 1300302712 CXXUXAALTLGTET-UONOGXRCSA-N 400.483 1.769 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3ccncc3)n2CC2(O)CC2)c1 1300333945 GTTUGVLFKOSXIL-UHFFFAOYSA-N 416.485 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cc[nH]n1 1300575337 XKTIIALQSFXFPG-UHFFFAOYSA-N 402.462 1.265 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCn2cncn2)CC1 1300691463 ZRBHEANYCPDXCW-UHFFFAOYSA-N 422.493 1.009 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C(=O)COc2ccc(F)cc2)CC1 1300740926 HVMCKGWJNKTHCP-UHFFFAOYSA-N 417.510 1.820 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1)c1cc[nH]n1 1300971072 CRKDXUOSMSBREN-ZIAGYGMSSA-N 422.482 1.520 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 1301219530 LVRUNTYSLHZEJO-UHFFFAOYSA-N 400.294 1.761 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301246098 MEOVPOUCKOWLCG-UHFFFAOYSA-N 422.493 1.520 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccccc1O 1301510363 VLKHAECPLHNGCX-UHFFFAOYSA-N 409.494 1.784 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1CC(F)(F)C1 1301587075 XIXJTXGGGGTNET-CYBMUJFWSA-N 417.482 1.312 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)C1 1303207467 YTQDBHSGIJCAQB-BBTUJRGHSA-N 420.533 1.971 30 10 HDEE COC(=O)c1c(C)cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1C 1304984828 BHKPYBYXQNPLJK-UHFFFAOYSA-N 402.432 1.274 30 10 HDEE C#CCN1CCC(NC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 1306899872 FQTYGTPHXBPNBL-UHFFFAOYSA-N 404.474 1.668 30 10 HDEE CCN(CCC#N)C(=O)Cn1cnc2c(c(Br)nn2C(C)(C)C)c1=O 1307384174 DUVJXHWUESJCOP-UHFFFAOYSA-N 409.288 1.873 30 10 HDEE C#CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N)C(C)(C)C 1308088829 UYSLNCBSMYCLIW-UHFFFAOYSA-N 407.515 1.044 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1Cc1ccc(N2CCOCC2)nc1 1314324080 CYFYARRJMXJIHI-UHFFFAOYSA-N 411.510 1.834 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1348067009 SFDNWOYETCOLII-MRXNPFEDSA-N 423.535 1.531 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1358888805 SFMSSVJBSCAAAL-WBVHZDCISA-N 417.535 1.520 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)F)c1 1358902542 RDUYEFFFXYNJMS-CQSZACIVSA-N 420.395 1.848 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1358905265 WDVXSFCLWPINTI-BBWFWOEESA-N 409.556 1.697 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCCCC1 1358939807 GDIGJXUJDDFOCS-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1358970642 UHWXFKGDZSLNDP-WFXMLNOXSA-N 402.495 1.413 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCn2nc(C)nc2C1 1359059667 VZBOXQADKHYQBV-UHFFFAOYSA-N 414.564 1.920 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359134568 ZZAKXEJARCVFHI-MRXNPFEDSA-N 416.530 1.601 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)(F)F)CC1 1359158295 MHPBFDIWBJKZMB-UHFFFAOYSA-N 423.399 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359296905 YIRNXXMVGKUKTE-RDTXWAMCSA-N 413.478 1.837 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nccc(C(F)F)n2)C1 1359311490 BSFCHRJOAXCALF-CYBMUJFWSA-N 421.452 1.974 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1359326194 UZGMTZZVHJOUTQ-GOSISDBHSA-N 420.477 1.687 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359330109 HIYGVTMHJZBHPF-NVXWUHKLSA-N 405.524 1.802 30 10 HDEE C=CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1359876268 WVUNKZDBQOITTM-GFCCVEGCSA-N 405.442 1.982 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)C1 1360038664 GVJLXUANTQXDEX-IKGGRYGDSA-N 403.531 1.324 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1435602810 RTVAVSKKBHBTAH-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1449420943 DPMKPVVJRQLKDK-KBXCAEBGSA-N 424.295 1.659 30 10 HDEE COCCN(CCOC)C1CN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1452736107 KLZXRGHPRAHJIM-KRWDZBQOSA-N 404.486 1.329 30 10 HDEE C#CC1(O)CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1453838972 HCAIDESABHSESA-UHFFFAOYSA-N 424.828 1.624 30 10 HDEE C#CCCN(CCOC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1454005998 ANEKVRNWGARPOD-UHFFFAOYSA-N 403.298 1.517 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@H]1c1ccc(OC)cc1)c1cc[nH]n1 1455113057 SXHUENCYIBTBMY-KRWDZBQOSA-N 416.434 1.302 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[C@@H]2CCC3(CCOCC3)CO2)cc1 1455652803 XROQHSAGJFLECJ-IBGZPJMESA-N 420.531 1.955 30 10 HDEE C=CCC[C@@H]1CCCN1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1460887494 VZFSRTDEUHIQJP-LJQANCHMSA-N 421.563 1.754 30 10 HDEE C=C(C)C[C@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OCC 1462500964 IMNTVXCXGBRIMP-HNNXBMFYSA-N 400.435 1.975 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1N 1464603470 GQBZPRQDKKEXLX-UHFFFAOYSA-N 415.519 1.009 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)c1 1465197035 HXFUKWOOKQVFAU-ICSRJNTNSA-N 413.449 1.843 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(NCCn4ccnc4)cc3)CC2)c1C#N 1466921846 OUELZAAQQOALLZ-UHFFFAOYSA-N 418.505 1.871 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(N2CCCS2(=O)=O)CC1)C(C)C 1467660092 HFBIUOJIYZQOLX-IBGZPJMESA-N 412.600 1.895 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)NCCCC#N)C3)[C@@H]2C1 1469770316 YDTSBIAPLACUMG-KFWWJZLASA-N 407.471 1.514 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOC(F)(F)C(F)(F)F 1471708317 IMDHWSCPQYYFTC-VIFPVBQESA-N 415.340 1.513 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1471983938 LTAJPZDWNNHRHC-KRWDZBQOSA-N 413.503 1.920 30 10 HDEE N#Cc1ncc(N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)nc1C#N 1472741208 HOQLFFXZEJIZTA-FQEVSTJZSA-N 401.474 1.533 30 10 HDEE C=CCn1c(SCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)nnc1C1CC1 1472933083 CFYLIYDPVLNWTH-UHFFFAOYSA-N 405.446 1.913 30 10 HDEE Cc1ccc(C2=NO[C@@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1478516780 POEGEHVYOBDXHP-FRQCXROJSA-N 402.476 1.068 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1 1478793115 DNUVRXKJFLTCGT-UHFFFAOYSA-N 423.535 1.860 30 10 HDEE CN(Cc1ccccn1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1503491977 GABITMQVQCBLJV-UHFFFAOYSA-N 415.461 1.937 30 10 HDEE CO[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOC1 1504050914 DZEHEAPYZLTWNM-VQIMIIECSA-N 423.539 1.116 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507612723 ZRJMUDIEGURZNM-CQSZACIVSA-N 408.915 1.487 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1507641498 AGYVOVXPDOOYAH-HZPDHXFCSA-N 413.503 1.137 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1OCC[C@H]1C 1507652179 DZHKWJZCCUKDSJ-UYAOXDASSA-N 419.533 1.950 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N(C)C 1507654183 XHQFPBZBDCUWHI-UHFFFAOYSA-N 420.521 1.003 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(OC)CCC1 1507710186 CNOULMWUJMNTKR-MRXNPFEDSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2(COC)CCCC2)CC1 1507723343 DXBDAVTYFKVMSF-GOSISDBHSA-N 414.554 1.581 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1507750981 JLLFIZISRCWLIG-INIZCTEOSA-N 412.581 1.409 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1507751100 DKZRBTPILVYFJF-GOSISDBHSA-N 424.534 1.896 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507755610 PIOURFHJYYBBCK-OAHLLOKOSA-N 410.590 1.920 30 10 HDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507937235 OFWLOXDRSNZHJJ-HZPDHXFCSA-N 402.499 1.959 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](COC)C1 1508143991 MAJXHUQIASTUQP-QGZVFWFLSA-N 405.524 1.337 30 10 HDEE C[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510024349 MMJQGQRUVBMHCR-AWEZNQCLSA-N 406.494 1.769 30 10 HDEE CC(C)C[C@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCNC1=O 1534106621 XDJBGTZMXDJLNR-AKWGVZKHSA-N 420.535 1.990 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 1537491623 KHVNWFJVFJKQGK-HXUWFJFHSA-N 423.535 1.956 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 1538029813 RNMJFKFDCQLXNC-INIZCTEOSA-N 424.461 1.658 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1538555470 IBBMTSFGSDINCM-QGZVFWFLSA-N 400.479 1.268 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N(C)C 1539414036 RIRSGBCDJXZONG-JKSUJKDBSA-N 416.551 1.680 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1539534406 QIFSOSPGUVDYEN-IVZQSRNASA-N 421.505 1.832 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1539548068 DWSFJCIHJWUEOZ-JOCHJYFZSA-N 409.490 1.805 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539978094 XBVZJGHLYFRKIV-HNNXBMFYSA-N 401.471 1.750 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Br 1540032882 UJXUOZUWUWMLTB-KGLIPLIRSA-N 400.298 1.944 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1)C1CC1 1540107623 BYBKCRPMLCCQNJ-HZPDHXFCSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccs2)CC1 1540871744 SHDOBHDJVRKMSW-OAHLLOKOSA-N 402.524 1.472 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc(C(N)=O)[nH]2)c1 1543196293 ZFDQKJRMYSSPGW-QJOMJCCJSA-N 417.491 1.959 30 10 HDEE C#CCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCS(=O)(=O)C1 1543461978 IUATZMXPFUOAHS-KRWDZBQOSA-N 417.336 1.557 30 10 HDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)C(F)(F)F 1554623040 JBQTUNZXOMKTOR-FRRDWIJNSA-N 423.461 1.886 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1555989848 SFHXVGXTELIEOV-CHWSQXEVSA-N 410.356 1.510 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)c2C1 1557913963 BNLYUEOFWCLFEA-VGOFRKELSA-N 406.490 1.674 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1558195143 BYKCQBGQOMNSDM-WFASDCNBSA-N 419.425 1.979 30 10 HDEE CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1560193856 MJXINWVWEHSNLS-TUXXCZFBSA-N 415.471 1.833 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@@H]1C(F)(F)F 1564721288 QYAYHBNLENJMKL-QWRGUYRKSA-N 407.393 1.113 30 10 HDEE Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C(=O)CC#N)CC3)CCCC2)cc1 1566318143 UCXCNLSCELLWKV-UHFFFAOYSA-N 403.504 1.666 30 10 HDEE COC(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@H]1C 1566978394 FJRBWEQFDMDARB-MRXNPFEDSA-N 421.519 1.473 30 10 HDEE COCCOCCN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1583236440 TVYBBZGYEIISQF-UHFFFAOYSA-N 418.513 1.721 30 10 HDEE Cn1nc(C(F)(F)F)c2cc(C(=O)N(CCC#N)CCN3CCOCC3)cnc21 1583778245 ZZVCEZDPZNNAPF-UHFFFAOYSA-N 410.400 1.675 30 10 HDEE C#CC1(O)CCN(C(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1585304902 CPYOJABKOVFIKQ-QFIPXVFZSA-N 406.523 1.905 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1585942132 AURSHEKLXRYZBX-LSDHHAIUSA-N 403.545 1.776 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(-n2cncn2)c1 1587922011 PNZFXDIDMWTYNM-NRFANRHFSA-N 407.478 1.629 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1C[C@]1(O)CCN(C)C1 1588089410 LBOAQSQBSIFCAV-DEOSSOPVSA-N 414.513 1.941 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1588233890 UZBOTNYKIPXEDW-RKOGDMNLSA-N 424.592 1.190 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1588387460 UKXDINUGQHYOFN-ZDUSSCGKSA-N 409.537 1.291 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCC2(C1)OCCO2 1588659920 PHMMQYBDBHWKRL-IBGZPJMESA-N 411.506 1.893 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1588871541 HJOAFBMFDCMDDJ-UHFFFAOYSA-N 423.496 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)CC)CC1 1588877294 YOFUROVVEMLQIZ-IEBWSBKVSA-N 416.570 1.430 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1589069091 IMRVJJMTZNPQEM-ZDUSSCGKSA-N 407.521 1.097 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1593620670 GNGQMWVYZZFRKC-UHFFFAOYSA-N 407.526 1.984 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nnc(C)s2)CC1 1594014825 WLALRBYTSYBDSF-LBPRGKRZSA-N 411.557 1.447 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1594767637 WGXXXHHISQIAGD-UHFFFAOYSA-N 411.514 1.854 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1595064775 AUUWTKIDNSYTFL-QGZVFWFLSA-N 400.527 1.814 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C[C@@H]3CCCO3)C(=O)OC)ccc2c1=O 1595339145 OXBGRKXOZXYCNL-XJKSGUPXSA-N 417.487 1.712 30 10 HDEE CSc1nc(O)c(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1C#N 1598440652 IVEMMSQJSKBPHM-NSHDSACASA-N 405.457 1.345 30 10 HDEE CCOc1ccccc1[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(C)=O 1616336451 NZPODDRRXKCVNG-RIFZZMRRSA-N 419.503 1.049 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCc2ccco2)CCO1 1620356302 WFEYUGCBURJKKF-HOTGVXAUSA-N 400.439 1.158 30 10 HDEE C[C@H](C(=O)Nc1cnn(-c2ncccc2C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1624771896 QEIIUGZSJWDBPC-XJKSGUPXSA-N 414.466 1.941 30 10 HDEE CN1CCC[C@@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1624893712 ZMOHQOOCPDBZOL-OXMAITBSSA-N 408.524 1.285 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OCC 1625184430 QKAZWUJUFGCPOJ-INIZCTEOSA-N 411.524 1.827 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1625437523 RSPIRUPCXOUAPC-SFHVURJKSA-N 423.477 1.817 30 10 HDEE C[C@H](CN1CCCC1=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1626283055 NZEBLWVYCMTMFR-KHQOZGCUSA-N 404.511 1.900 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1627468954 HKTCWMMIKAIRNX-GUYCJALGSA-N 422.931 1.438 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)c1 1631052494 NTMAGGHZAVHNKM-UHFFFAOYSA-N 418.475 1.389 30 10 HDEE C[C@@]12CN(C(=O)COc3cccc(Br)c3C#N)C[C@]1(C)C(=O)NC2=O 1631838909 ZVKPWBINFXUMII-CALCHBBNSA-N 406.236 1.211 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cn3)CC2)c1 1632940530 JEAKJBWNVBZTSU-UHFFFAOYSA-N 401.463 1.980 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1635334450 LCEFJKRACHWQPG-UHFFFAOYSA-N 411.524 1.932 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)Cc1ccc(Br)cc1C#N 1636283987 KJQDVHGHMSTCSU-CQSZACIVSA-N 411.252 1.674 30 10 HDEE CC(C)(C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1)c1cc(F)cc(C#N)c1 1636708206 DKYDEFCEUKPDQK-HXUWFJFHSA-N 402.514 1.888 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2)cc1 1638196332 CXTAXSIFOHWITR-UHFFFAOYSA-N 406.373 1.649 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1638678573 MWJZTUIGYFEDBX-UHFFFAOYSA-N 414.531 1.173 30 10 HDEE Cn1cnnc1CC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1638843060 KXEZDLHUDIVHLM-UHFFFAOYSA-N 405.455 1.346 30 10 HDEE Cc1ccc([C@@](O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(F)(F)F)o1 1639175463 SAVQPEUHNJPLGP-CQDKDKBSSA-N 406.382 1.125 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)C1 1640219733 XVOVRVAFTLTLRC-SFTDATJTSA-N 424.476 1.454 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@H](O)CC2(C#N)CCC2)C1 1641631935 UMCZHBZVKIKKRH-IAGOWNOFSA-N 408.543 1.784 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1643543249 LXPLDDDLXVLXQC-KBXCAEBGSA-N 424.295 1.659 30 10 HDEE Cn1ncnc1C1(O)CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1644370912 SZQITVSYUALSAS-UHFFFAOYSA-N 414.535 1.939 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@@H](C#N)C3)cc2)C[C@@H](C)O1 1644439591 GLOFDXAHNYLEBA-ZACQAIPSSA-N 420.535 1.659 30 10 HDEE COC(=O)C1CC2(C1)CN([C@H](C)C(=O)NC1(C#N)CCC1)C[C@@H]2C(=O)OC(C)(C)C 1644460389 CSJSFGZKWGQWBG-KHQOZGCUSA-N 419.522 1.780 30 10 HDEE C[C@H](CC(=O)N1CC(CC2CCOCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644613120 VDEFHPRKWBMZLG-CQSZACIVSA-N 405.520 1.779 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1644637874 BPPFBIGTPKPOHG-ZFWWWQNUSA-N 417.453 1.586 30 10 HDEE C[C@@H]1CN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CCN1S(C)(=O)=O 1645439768 SRCRSFFETJBORN-OAHLLOKOSA-N 413.503 1.671 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1647911198 VPAAOCUGZAZFTC-UHFFFAOYSA-N 413.432 1.619 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)C2)c1 1647932782 LDTGYUNKUNMSAL-GOSISDBHSA-N 406.446 1.371 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]([C@H]2CCCO2)C1 1648399738 NTUPXDCPFKCGIF-BRWVUGGUSA-N 407.492 1.160 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCC12CCOCC2 1648937555 GHVBZJSLXKKNBS-HNNXBMFYSA-N 405.520 1.828 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1650820947 XWKLOGPICRVKHO-SFHVURJKSA-N 404.405 2.000 30 10 HDEE C#CCNC(=O)CN1CCN(CCCN2CCN(c3ccc(Cl)cc3)CC2)CC1 1654560402 PXLHYSKZAGJWFT-UHFFFAOYSA-N 417.985 1.219 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1sc(C(=O)OC)cc1Br)C(=O)OC 1655603218 YUNQMJAQDOZJGC-QMMMGPOBSA-N 410.267 1.140 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H](O)c1ccc(Cl)cc1 1663201646 BMTLWBMAYXMQIH-CVEARBPZSA-N 409.851 1.550 30 10 HDEE CC(=O)N1CCCc2cc(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)ccc21 1668076243 DTKQQEMXWWXOEL-KXBFYZLASA-N 402.476 1.388 30 10 HDEE CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N2CCN(CCC#N)CC2)c1 1668088119 BHOKGVNQWCNPSB-INIZCTEOSA-N 407.540 1.968 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccnc3N3CCOCC3)CC2)cc1 1675753433 BKTKSMHNERZGOI-UHFFFAOYSA-N 406.490 1.822 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCC(S(C)(=O)=O)CC1 1676086992 KMUYHGNQCAUYGA-QQFBHYJXSA-N 420.539 1.172 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC2(C#N)CCC2)C1 1686829158 ZNHUDEKKKOYOBN-CQSZACIVSA-N 414.528 1.404 30 10 HDEE C#CC1CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1687571500 DCZILBSGQOXFHG-MRXNPFEDSA-N 413.540 1.465 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689922852 BPHYXPWOEZOIGE-UHFFFAOYSA-N 409.538 1.744 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1689948908 KFJYWIUKKWJKBR-GHTZIAJQSA-N 405.543 1.356 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689992069 GQOJTYOMFMFIGX-LNLFQRSKSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1690022653 NGXROHCZYMBZCE-UHFFFAOYSA-N 409.457 1.361 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1690224069 AFWIINXDTCKFFD-UHFFFAOYSA-N 406.288 1.710 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC)C1 1690237126 VRQUMUKTMFODPG-KSZLIROESA-N 419.526 1.347 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC)C(=O)C1 1690243801 PRKWTMJJORPIHP-VQIMIIECSA-N 413.526 1.718 30 10 HDEE C=CCn1c(N2C[C@H](C)[C@@H](N3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690653443 QWXPIYRWXMDBCE-WFXMLNOXSA-N 405.543 1.662 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1690731314 HVSODFFMERXJAM-OAHLLOKOSA-N 407.540 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCN(CC)CC1 1705584621 RNQWMRIBLACYTA-FQEVSTJZSA-N 405.550 1.363 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1705603648 YASPRJATTQQWBE-UHFFFAOYSA-N 422.493 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCN1CCN(C)C(C)(C)C1 1705626252 OIRIBIXAQCKRGG-UHFFFAOYSA-N 413.570 1.396 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705787054 GOIJQFXYZWUXKM-CABCVRRESA-N 404.515 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(CC)C1 1705898127 BLBCNXNYPLZFEE-OAQYLSRUSA-N 421.509 1.849 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCc2noc(CC)n2)C1 1705913943 BXKCSQXWWPWGJS-AWEZNQCLSA-N 403.487 1.386 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1706058059 WMJKAJIBBGRUIY-UHFFFAOYSA-N 423.521 1.825 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1706659056 DGLHISUNETVCCI-LPHOPBHVSA-N 424.571 1.630 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)n1 1707812012 FOISNGZBRRHROB-OAHLLOKOSA-N 419.555 1.703 30 10 HDEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1711213197 YVQPBQRBBNWAQE-HOTGVXAUSA-N 420.514 1.768 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@H](C)O1 1712289232 YHLOKCIFKPYNKL-HNAYVOBHSA-N 412.494 1.583 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722316520 JLKJQMFGVGQUCN-ROUUACIJSA-N 421.567 1.336 30 10 HDEE C#CCCCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722340019 KEPZGSLAUKMPAT-QGZVFWFLSA-N 417.897 1.875 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722368852 TUQFHTBDUIMMBR-OAHLLOKOSA-N 420.564 1.575 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1722446032 KJBPBQAEBCIYMX-DLBZAZTESA-N 423.521 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)CC)CC1 1722446888 AVPVVYRIORRVBG-DYESRHJHSA-N 403.527 1.647 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722511502 ZZLOYLLJGCEPIR-WFXMLNOXSA-N 418.586 1.858 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722553746 AJQDEYDHFYLIMU-KHYOSLBOSA-N 409.918 1.926 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722684773 VNLRZHIKHPSMMC-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1722696183 DJXVPALKKJPCPS-QGZVFWFLSA-N 406.494 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@H](C)[C@H]1C 1722724751 FAHAPBHMIABMFR-ZIAGYGMSSA-N 415.585 1.347 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C(C)C)n1 1726058850 PNRDCNZOGLBIQY-HXUWFJFHSA-N 416.505 1.744 30 10 HDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729162001 LUJMITXYWQNKSV-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729313046 GVYYVLJQGFYELC-QZTJIDSGSA-N 410.478 1.667 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)C 1740552837 YGUIIGNASVRNID-AWEZNQCLSA-N 407.478 1.967 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740617200 NSTOTQSDQDVFHT-AWEZNQCLSA-N 410.446 1.570 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCSC2)CC1 1740693882 PVJXBEUGQSWVGE-OAQYLSRUSA-N 413.547 1.577 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)[C@@H]1CC 1740718823 CEJHVQYGWPEJFZ-KRWDZBQOSA-N 413.547 1.959 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 1740731183 QQGQQJBTSYVIHV-PGRDOPGGSA-N 400.571 1.800 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1 1740941415 KEFPEZDWJHDUJJ-HUUCEWRRSA-N 400.570 1.572 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1741804632 GSOVOYRVLXPVGT-FOIQADDNSA-N 402.474 1.801 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1748671410 JFBVPWCEWSCPDE-FXAWDEMLSA-N 411.506 1.971 30 10 HDEE C#CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748761895 CROVWTFIWZXUDO-HXUWFJFHSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1COc2ccccc2O1 1748766411 PEZKYPUCPLDVEG-HNNXBMFYSA-N 404.430 1.835 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC(C)C)N(C)C 1748779325 GHFCKDVETJYEBY-LJQANCHMSA-N 407.526 1.967 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCC(=O)NC1CCCCC1 1748883235 XYNSVYSRBKAHPY-UHFFFAOYSA-N 407.522 1.981 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)COCCO1 1748965292 PRFCOCRDHPKMLP-LJQANCHMSA-N 405.524 1.525 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1748993864 OZPHEIGUCAWXQP-VQTJNVASSA-N 401.555 1.818 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749032869 SIBFBAVROYDCHU-UHFFFAOYSA-N 420.502 1.580 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1749064818 KXGVLCXIAKRCGU-DYESRHJHSA-N 401.511 1.807 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749452244 STJKUUFBLAJSKD-KRWDZBQOSA-N 402.499 1.218 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1F 1750077888 BLSOKAYSELDKEZ-AWEZNQCLSA-N 401.446 1.609 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1760105485 QMJBNHMPZSZOEZ-HNNXBMFYSA-N 414.477 1.720 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 1760281337 QJLFYLPJNJCRCG-ZIAGYGMSSA-N 418.548 1.630 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1760360057 PJFLDHYLGSYQRT-UHFFFAOYSA-N 415.542 1.824 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760452310 KSSCPDAYZWCKHV-SFHVURJKSA-N 416.526 1.590 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cc(C)nn2C)CCOC1 1765879346 GXIAHVGSBBFCSN-RTBURBONSA-N 403.462 1.462 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1768543354 DDDDCVYOEXHYDZ-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE CNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1769233898 MJOCCMNYCNYZMR-UHFFFAOYSA-N 422.493 1.615 30 10 HDEE COCCN(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1769792676 ABNUHOANQANRMK-SFHVURJKSA-N 423.521 1.657 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1770342553 DQVMXFFULLKCNV-KBXCAEBGSA-N 419.486 1.064 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC[C@H]1C 1770657732 JVTLXSYUDGJVHX-CRAIPNDOSA-N 422.493 1.767 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1771066944 ATAFUXWRIPJCPH-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1771529580 QIBBCPQFXVJSNI-OXQOHEQNSA-N 406.506 1.461 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)Cc3ccccc3CC#N)CC2=O)C1 1774180831 GPXOITHCPGRBLW-KRWDZBQOSA-N 412.490 1.632 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nnn3c2CO[C@H](c2ccccc2)C3)CC1 1850910369 GGBPWAQOZXJBOM-IBGZPJMESA-N 415.457 1.779 30 10 HDEE Cn1cnc2c1CC[C@@H](C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1)C2 1851216050 SNIOGGFDAKAYIM-QUCCMNQESA-N 424.501 1.720 30 10 HDEE N#Cc1cc(F)c(NC(=O)C2CN(S(=O)(=O)C3CC3)C2)c(Br)c1F 1851280908 GGTHFOXVYSGOCD-UHFFFAOYSA-N 420.235 1.961 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)COc3c(Br)cc(OC)cc32)CC1=O 1852047730 NLXXMLTXFAHDIE-JTQLQIEISA-N 409.236 1.744 30 10 HDEE C[C@@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)n1nc(C2CC2)ccc1=O 1852077527 DQKKXVLJSGXCJA-VIFPVBQESA-N 406.386 1.552 30 10 HDEE C=CCN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCN(C)C1=O 1852744628 GYHWFSHALDCGNB-QGZVFWFLSA-N 401.467 1.206 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(OC)cc(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854168145 LBMOOPZVYHMBKR-MSOLQXFVSA-N 401.463 1.164 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)C12CCCC2 1854449369 KNQWEYLYPGQBKI-SJORKVTESA-N 414.510 1.604 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1855552893 NESHGVATFUZNEB-GOSISDBHSA-N 405.520 1.477 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC[C@H](COc4ncccn4)C3)C2=O)c1 1856411202 AMBCETWBMVAYAA-HKUYNNGSSA-N 405.458 1.880 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856548278 KTKOXPDLLMAGOJ-FUHWJXTLSA-N 415.515 1.522 30 10 HDEE Cc1cc(C)cc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857042206 UBVHRILUIUSPIC-GOSISDBHSA-N 403.504 1.858 30 10 HDEE C[C@@]12CCC(=O)N1CCN2C[C@@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1857451889 SMZNDLNBEHVGJS-CVDCTZTESA-N 408.502 1.910 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(-c4ccccc4)on3)CC2=O)CC1=O 1857454120 OZJWVCLBSNNCJF-KRWDZBQOSA-N 408.458 1.547 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 1858643128 OVDCWHKFQKDGJF-UHFFFAOYSA-N 417.443 1.519 30 10 HDEE C=CCNC(=O)[C@@H](CCC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861514654 HRINCKMGIRYVCI-QGZVFWFLSA-N 401.463 1.520 30 10 HDEE N#Cc1nnn(Cc2ccc([N+](=O)[O-])cc2)c1NC(=O)CNC(=O)c1ccccc1 1870110400 PICZINXHHUBVOW-UHFFFAOYSA-N 405.374 1.475 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC)cc1OC 1872597080 HEEMUUIHYCTLSL-QGZVFWFLSA-N 404.488 1.896 30 10 HDEE CCN(CC)C(=O)CSc1nncn1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874534881 GIMGQFWFHCZQEY-DJKKODMXSA-N 420.451 1.800 30 10 HDEE Cc1c(Br)cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c(=O)n1C 1890176113 YWCKRZNSQAZBKN-UHFFFAOYSA-N 417.267 1.079 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCC(COc3nccnc3C#N)CC2)c1 1891300886 WPHKJKKQEIKMBJ-UHFFFAOYSA-N 400.460 1.683 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(F)c2)N(CCc2ncnn2C)C1=O 2069478565 POQRWUJHQIVXMW-AWEZNQCLSA-N 420.470 1.273 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N=c1[nH]cc(Br)nc1Br 2107332062 PLXXPKUPXBZVTQ-UHFFFAOYSA-N 412.107 1.754 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174781377 FKNNEDBKSMYZLI-RRFJBIMHSA-N 402.517 1.081 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174783114 YIPFVLWASAUWJB-GJZGRUSLSA-N 402.517 1.081 30 10 HDEE CC1(C)OB(c2nc(NC(=O)[C@@H]3CCS(=O)(=O)C3)ccc2Cl)OC1(C)C 2241217178 ODSVQZVVHUQLPR-SNVBAGLBSA-N 400.693 1.407 30 10 HDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC(NC(=O)OC(C)(C)C)C1 2247818749 AOGVMNJLUPHVKK-UHFFFAOYSA-N 420.319 1.837 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CCNC3)cc2Cl)OC1(C)C 2267356307 LKDXKFIECKKCRX-JTQLQIEISA-N 406.766 1.589 30 10 HDEE CCN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2282028512 FXNZDTQFOGQTGM-LLVKDONJSA-N 402.347 1.338 30 10 HDEE Cc1csc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282063928 SKIIKFQOAIZLDP-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)[C@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282319493 UQYYMJUEXAHVRZ-NEPJUHHUSA-N 405.322 1.449 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3N)c2)OC1(C)C 2282345808 RHMLUBTUZWPSTL-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CN1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCC1 2282418928 RGXHUDZLIRUJBN-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCC[C@@H]2O)OC1(C)C 2282494663 ATPHIWHZSXIIKY-KBPBESRZSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H](O)C2CCC2)OC1(C)C 2282500634 ZNTNJFOVUGOYSE-ZDUSSCGKSA-N 402.347 1.023 30 10 HDEE CCOC(=O)CN(CC)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282500942 PWGVJNOLAWUYDI-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC1(C)[C@@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282503301 YBILVDOFRVSRNU-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282510932 GTKKNLWGDKNLOG-RUZDIDTESA-N 405.322 1.172 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](O)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282839244 AWRJVEDYVUEVPG-NEPJUHHUSA-N 401.359 1.793 30 10 HDEE CC(C)CN(CCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839352 CHTLGDXPZOPSOV-UHFFFAOYSA-N 404.363 1.222 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]34CO[C@](CF)(C3)C4)s2)OC1(C)C 2282855545 GLIYUAXKKUSZRC-WKILWMFISA-N 403.306 1.597 30 10 HDEE C[C@H]1[C@H](O)C[C@@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282862026 XUFIZDGLOXOMIX-MBNYWOFBSA-N 401.359 1.827 30 10 HDEE CC1(C)CC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)N1 2282870600 VDNCHSLYDNGMRZ-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE C[C@H]1C[C@@H](CN)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882004 GBMVEHGLYKSDAD-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC(C4OCCO4)CC3)c2)OC1(C)C 2282985006 VZPMWSPGODMFBQ-UHFFFAOYSA-N 403.284 1.917 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404577 AMYWSAXBDMLRNS-LLVKDONJSA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@](C)(C(=O)O)C3CC3)c2)OC1(C)C 2284409740 NALMJMYMMLWVDF-INIZCTEOSA-N 401.315 1.579 30 10 HDEE CC(C)N(C)S(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361583850 YAWSIVHVYYZBFP-UHFFFAOYSA-N 400.375 1.990 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2365212523 RYZHYWPYCYLGBZ-OWCLPIDISA-N 404.573 1.845 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2ncc(Br)cc2Br)CC1 2367741023 SCKAULBSEWUULY-JTQLQIEISA-N 423.130 1.692 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367793122 UEIFXBJLWFNDGR-UGSOOPFHSA-N 401.481 1.436 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367819179 ONQIGEUMMBFEHU-GJZGRUSLSA-N 402.557 1.599 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367830535 JQBCGXLPOQBQAT-DOXZYTNZSA-N 400.541 1.435 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2ccc(Br)c(O)c2)n1 2370344093 RUZOSXQZXNYAFN-UHFFFAOYSA-N 423.076 1.835 30 10 HDEE C=CCNC(=O)N1CCO[C@@H](CN2CCCN(C(=O)c3ccc(C)cc3)CC2)C1 34692134 PEUMMEJDWPMMLJ-FQEVSTJZSA-N 400.523 1.739 30 10 HDEE COc1cc(NS(=O)(=O)c2ccc(NN=C(C(C)=O)C(C)=O)cc2)nc(OC)n1 59449527 NNGHHXJSJXBLNS-UHFFFAOYSA-N 421.435 1.241 30 10 HDEE C=CCOc1ccccc1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OCCCC 66228200 NQFIMJWKKPIMMR-QGZVFWFLSA-N 403.479 1.724 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105284109 SXMDKDHWXSPFHD-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105284423 JPWHAVIUICJPLD-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 238953076 XIXOHBUWUNYUQF-CYBMUJFWSA-N 402.432 1.352 30 10 HDEE O=[N+]([O-])c1ccccc1-c1ccc(C=NNC(=S)N[C@@H]2CCS(=O)(=O)C2)o1 254800512 UGZHKPIKIOGNAE-LLVKDONJSA-N 408.461 1.840 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)CC1 430354853 GDDIAFILRRLFNA-UHFFFAOYSA-N 423.473 1.249 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 438140938 CWZFJENYQASKHA-MJGOQNOKSA-N 410.522 1.966 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]2C 440150143 XJTRJEGVJQXTFK-AWEZNQCLSA-N 401.492 1.791 30 10 HDEE COC(=O)[C@@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(F)cc1 463439116 ZKOOXIVHSYDLSP-NQIIRXRSSA-N 404.486 1.496 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cn(Cc3ccccn3)nn2)cc1 463643606 MIGPVPFQTFNNRQ-GOSISDBHSA-N 419.470 1.747 30 10 HDEE CO[C@@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 470323110 FCTNKSWCZSKPOT-KBPBESRZSA-N 412.368 1.847 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)c(C#N)cn1CCOC 480103452 MVVSFSWVLTVAHO-OAHLLOKOSA-N 418.450 1.395 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(S(C)(=O)=O)nc1 480533918 CUDWIIWNFBGYPT-UHFFFAOYSA-N 411.461 1.770 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN([C@@H]2CCc3ccccc3NC2=O)CC1 483529348 YYLOQSSGPMFXQB-LJQANCHMSA-N 410.499 1.818 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)[nH]c2c1 484060986 QYCINYXRYXHNAG-UHFFFAOYSA-N 416.485 1.704 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)OC)c2)CC1 485303397 WTRHTBXPXGJLHF-UHFFFAOYSA-N 412.849 1.717 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(F)c4C#N)CC3)C2=O)n(C)n1 489989310 TVCHOVKODCAWOS-LJQANCHMSA-N 424.480 1.693 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 501976210 WJPBXZFHFGDYJK-UHFFFAOYSA-N 417.512 1.632 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 506279872 HDYNAWSABQQZPW-UHFFFAOYSA-N 409.321 1.994 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 508499171 XUURDMVQTGZTAD-KRWDZBQOSA-N 421.567 1.595 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCC2CCS(=O)(=O)CC2)CC1 509148800 DCNODTMBUVPJEU-UHFFFAOYSA-N 408.499 1.744 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(-n4cncn4)c3)CC2)cc1 522320930 SMSVYSIXOZBACP-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)ccc1OCCO 542095841 KGDLMIRCEWJHIZ-UHFFFAOYSA-N 403.460 1.729 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)C[C@@H](C)O1 546216261 BEIZHHLPCPWMSX-CALCHBBNSA-N 400.527 1.673 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O 552372751 QWQMXRWOAORJSN-INIZCTEOSA-N 409.508 1.656 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@H]4CCOC4)n3C[C@H]3CCCO3)CC2)n1 564351404 SWHQVRMEJTYZJE-FUHWJXTLSA-N 409.494 1.554 30 10 HDEE N#Cc1cnc(N2CCN(c3ccc4ncnc(O[C@@H]5CCOC5)c4c3)CC2)cn1 585566470 SUZYOVYAHMCPNH-QGZVFWFLSA-N 403.446 1.786 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1 642049635 MAZNOVSSZBGHHI-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2cccc(OC)n2)C1=O 726887859 KGHYQQFVYJOAAR-CQSZACIVSA-N 415.475 1.762 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730138345 BZTFPOOTDHEMPV-HNNXBMFYSA-N 419.551 1.049 30 10 HDEE N#C[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCN1C1CC1 732674453 HRHFWRXFXLYYKA-UXHICEINSA-N 401.486 1.581 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)c1ccc(C)c(C)c1)c1ccc(C#N)cc1 740176573 SPFHCZBWRZFXMC-IBGZPJMESA-N 416.455 1.911 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccc(C#N)cc1 740203187 FZFYOYSGCNMSIS-SJCJKPOMSA-N 420.418 1.822 30 10 HDEE COC(=O)[C@@H](OC(=O)Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C#N)cc1 740243858 CARPDUULEVDJNO-SFHVURJKSA-N 402.428 1.930 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O 740478424 GWQXQHCTIPLNEO-UPTRSRDDSA-N 417.853 1.271 30 10 HDEE Cc1cc(C)nc(-n2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c(C(C)C)n2)n1 742666007 ZHMOQCRGYIJVAV-CZIZESTLSA-N 423.477 1.659 30 10 HDEE Cc1ccc(C)c(-n2ncc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2C)c1 747477317 BVUNBDREFIHJBZ-GOSISDBHSA-N 406.490 1.935 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1C#N 747496700 PLODAZGRJAWPMX-UHFFFAOYSA-N 419.441 1.620 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCCC3=O)c2)cc1C#N 747498167 MNNYQQWAKXIBDD-UHFFFAOYSA-N 406.442 1.944 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCSc2nnc(N3CCOCC3)n2C2CC2)c1 753915432 XXFIDYKXTICIMK-UHFFFAOYSA-N 419.532 1.887 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc(F)cc(F)c3N)CC2)o1 757740054 JHBHDFFIRUCTNT-UHFFFAOYSA-N 405.361 1.221 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760389168 VBDHMWKEGQENPG-UHFFFAOYSA-N 419.550 1.532 30 10 HDEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 760959571 CZPBOCYMVFMNSF-AWEZNQCLSA-N 421.519 1.696 30 10 HDEE C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1CNC(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 765284721 GCNLWKNOMWGLHY-IJEWVQPXSA-N 418.519 1.021 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 769228932 XRQXAJXAOPGDHL-MXTRNAPSSA-N 422.507 1.523 30 10 HDEE C#CCN(C(=O)N[C@@H](CN(C)Cc1ccccc1)C(C)C)[C@@H]1CCS(=O)(=O)C1 769534981 JTURSTLJVNDFAI-UXHICEINSA-N 405.564 1.975 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnc(CC(C)C)s3)c2=O)cn1 772904741 PCPOSZWNLRUJOZ-UHFFFAOYSA-N 423.523 1.984 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 774151769 CDFVIZFZHOWHHT-UYAOXDASSA-N 421.563 1.910 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2C[C@@H](O)c2ccco2)CC1 774661232 NCALECMUCWXGDZ-CEXWTWQISA-N 404.511 1.096 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780203274 AGVZXBZLBMCLFQ-KRWDZBQOSA-N 422.846 1.830 30 10 HDEE CCN(CC(=O)NCc1cccs1)C(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780215239 QPJQPISBNCCTFM-IBGZPJMESA-N 415.471 1.361 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)CC2 786808824 GDKVXAJAULJSIB-OAQYLSRUSA-N 409.442 1.703 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 793149507 UGDULVSROQIKPX-OAHLLOKOSA-N 404.469 1.633 30 10 HDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccnc(C#N)c1 793858608 OKRBNJDNDKZNQN-KRWDZBQOSA-N 415.494 1.979 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(OC)c1 798744044 HEMNJYWBNDASJK-XJKSGUPXSA-N 413.434 1.635 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(F)F)C1 801422175 KALZZNXICVAGJL-KBPBESRZSA-N 415.462 1.632 30 10 HDEE COc1ccccc1[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CC(=O)NCCC#N 805830299 ZMQPPZJWZBETHQ-YOEHRIQHSA-N 412.412 1.909 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 812465458 QFPICFLFGTZDTB-PLNGDYQASA-N 400.483 1.866 30 10 HDEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C)c2)c1=O 837521742 XYSQOLLVLSKZRC-UHFFFAOYSA-N 408.483 1.448 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCN1C(=O)CCC1=O 913235095 QYZVPVFSCLWDEL-UHFFFAOYSA-N 403.338 1.462 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NC2CCCCC2)n[nH]1 1084348343 NKBPQVKJUIITLQ-UHFFFAOYSA-N 420.543 1.597 30 10 HDEE CCCNC(=O)CN1C(=O)C(=NNS(=O)(=O)c2ccc(C)cc2)c2ccccc21 1084507541 XTPNPGWCPWBVCE-UHFFFAOYSA-N 414.487 1.550 30 10 HDEE CC1=NNC(=O)[C@H]1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136653817 IUXZGWZPHRWFSV-LTWWHTJUSA-N 403.483 1.401 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 1143458530 PBZCTOIPJMNDQJ-KRWDZBQOSA-N 402.495 1.496 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCn1cncc1-c1ccccc1 1149856510 QZQCCFGZSVWOIC-INIZCTEOSA-N 423.498 1.905 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(C)n(CC(F)(F)F)n1)c1cc[nH]n1 1162358970 RYIQFIYZLIYSAL-UHFFFAOYSA-N 402.333 1.399 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(NCCN2CCOCC2)c(F)c1 1165507857 IQYJWYRURQUHCM-UHFFFAOYSA-N 419.497 1.987 30 10 HDEE CC[C@@H](CN1CCOCC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1178209219 ZSDQBCWZGYIROA-KRWDZBQOSA-N 421.339 1.984 30 10 HDEE COc1cc2c(cc1O)CCN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C2 1184305352 HOCLWQOEXYCOMK-UHFFFAOYSA-N 401.444 1.136 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 1222086964 CVUZLMDCTUEYCJ-FQEVSTJZSA-N 419.547 1.708 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1226866832 MZGVXPYXDWSIOB-CVEARBPZSA-N 410.515 1.441 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1230269099 OYMWZCQNMPLPEZ-LESCRADOSA-N 411.499 1.869 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)s1 1252034582 CWZXSHYCRJKTLZ-ZDUSSCGKSA-N 410.455 1.826 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCC2(C#N)CCOCC2)CC1 1255291547 BJCTYXDRXKHNLC-UHFFFAOYSA-N 409.531 1.595 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1277135397 DFDNLHUQWCZKNJ-RDJZCZTQSA-N 416.499 1.886 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286384615 JCPOPJFGBMTMAR-NVXWUHKLSA-N 404.540 1.683 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286395312 ZQUILZAMLHNRJL-GOSISDBHSA-N 419.595 1.732 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)N2CCCC2)CC1 1286480341 LPFQFNNHRMFZKC-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1286514336 DWPYJJUCXRROLR-JOCHJYFZSA-N 414.554 1.619 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286559715 YBFLLEIQXFSYHB-GHTZIAJQSA-N 418.586 1.716 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2noc(CC)n2)CC1 1286637923 PJFLTLJANDMAGR-ZDUSSCGKSA-N 409.516 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1286784070 VSWXNCHYONWTEK-UHFFFAOYSA-N 419.489 1.464 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1c(C)nn(C)c1C 1286820341 JWFBXBVJONMHCL-INIZCTEOSA-N 422.555 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286820832 SOWLHZWWLWHIGR-CVEARBPZSA-N 423.539 1.471 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccsc1 1288167514 DARWGWVGIAGDJX-RDTXWAMCSA-N 404.496 1.114 30 10 HDEE C[C@H]1COCCN1CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1291309881 OKEMEVMBSCUOLK-RDJZCZTQSA-N 402.524 1.380 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1293932996 NCLKZGAZSSVBTO-HSZRJFAPSA-N 415.534 1.745 30 10 HDEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1299621915 WDAPWANKNQXXFL-STQMWFEESA-N 416.404 1.097 30 10 HDEE CO[C@@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1)C1CC1 1299690702 HJYNZHLSKHNICM-SJORKVTESA-N 407.540 1.735 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1300486974 CNODQQBHNUTTKJ-INIZCTEOSA-N 405.524 1.453 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1300685179 IQXDHAZUFAFPON-UHFFFAOYSA-N 408.550 1.347 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)CC)CC1 1300690652 FPNRCBNUXOJEOS-UHFFFAOYSA-N 422.942 1.183 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCS(=O)(=O)C2)CC1 1300693297 WKZQYRKEVPEIAA-MRXNPFEDSA-N 417.510 1.274 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCc2cccc(C(=O)NC)c2)CC1 1300707178 WYMWPBBNYXPBMT-UHFFFAOYSA-N 406.534 1.588 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@H]1CCOC1)C1CC1 1300989546 PKQFSFJSPSGDGJ-SJORKVTESA-N 424.567 1.778 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC)CC1 1301124423 IAZSKGCXIFZYLA-INIZCTEOSA-N 413.544 1.050 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1304219800 XWABVGJSXQADGD-DFMBRWPFSA-N 419.503 1.208 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(C)ccc1Br 1309080304 ZBXFGLOJSPQWSE-AWEZNQCLSA-N 420.350 1.710 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2cc(OC)ccc2OC)CC1)C1CCOCC1 1313042941 LFCRMUTXILESLT-FQEVSTJZSA-N 401.507 1.959 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1314706978 KAKGLTXSHXUJBJ-QGZVFWFLSA-N 412.494 1.583 30 10 HDEE CO[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1315186437 YBBQHRQWJIKUNV-MELADBBJSA-N 403.405 1.868 30 10 HDEE COCc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1315859762 CVOSEWGHJLVGGJ-HUUCEWRRSA-N 420.539 1.821 30 10 HDEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)cc2)cn1 1322446616 SDFVIPNGMGVZJI-LJQANCHMSA-N 417.494 1.516 30 10 HDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1358966761 WKGDUNWEYYBUPA-CQSZACIVSA-N 421.548 1.306 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)C(=O)NCC2 1358990962 ISNJCBIOZAHSDY-UHFFFAOYSA-N 413.485 1.476 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCN1CCOC[C@H]1C 1359062472 JDHXBWPGHUWKDE-DYESRHJHSA-N 400.527 1.227 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1359069691 URRYMTKFRVMMIB-BFUOFWGJSA-N 401.421 1.997 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359132044 LLSMXQQHUITFHW-IRXDYDNUSA-N 419.526 1.596 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)OC)CC1 1359165212 KHYYENRAZPCMED-OAHLLOKOSA-N 413.544 1.192 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(C)CN(C)C2=O)CC1 1359168279 NSXXVQCNUKSQNN-HXUWFJFHSA-N 414.535 1.904 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359238497 MXEFSOPXQSUWLO-GDBMZVCRSA-N 400.458 1.335 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H](C)C1 1359296134 YATHSFULELCPQV-HZPDHXFCSA-N 421.509 1.705 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359297044 CHAYMLFAYRZPFF-MRXNPFEDSA-N 411.510 1.527 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)n1 1448860550 QZDOALSLEASWCK-OAQYLSRUSA-N 420.510 1.253 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2csc(C#N)c2)CC3)CC1 1449275188 VFMXUEGJTVKZLA-CQSZACIVSA-N 412.519 1.196 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1452435755 GUXYXTLAIOCEJF-OALUTQOASA-N 405.516 1.924 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1461931407 JYPDTIXWWMTZLF-BFUOFWGJSA-N 409.845 1.791 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1462089926 AVMLDSNZCIMSQJ-GPVSGQMNSA-N 423.517 1.954 30 10 HDEE Cc1cc(Br)c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)s1 1470845737 FHVJRBAACUXGKK-HZMBPMFUSA-N 418.338 1.899 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1CNS(C)(=O)=O 1470852872 MQXOSFZUQYNLRW-LSDHHAIUSA-N 419.544 1.013 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](CO)C1 1472293938 ZWSKBZUWEYFMTB-DLBZAZTESA-N 423.510 1.202 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]([C@H]2CCOC2)C1 1472305180 HAXWNAQSNRQCNM-JQHSSLGASA-N 405.520 1.890 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 1476541361 IOJOIPOTGRQWDZ-KRWDZBQOSA-N 402.476 1.919 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1478855171 FCIBULMTAIAYIY-UHFFFAOYSA-N 417.477 1.758 30 10 HDEE CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1503379331 AGZVCODMYNEYJK-MGPUTAFESA-N 415.473 1.738 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1507560523 KGCHQRDZPWYIJG-HNNXBMFYSA-N 412.494 1.772 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1507577365 YYTRMFNBJQFREQ-AWEZNQCLSA-N 407.544 1.288 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H](O)C1 1507773583 UEIAPDOYUSRJRK-TVKQPGBESA-N 406.552 1.723 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507830164 UOGIKIKOTSIZFT-HNNXBMFYSA-N 400.483 1.934 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1507983093 OWWUXQSGLNZEJH-KRWDZBQOSA-N 405.524 1.590 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1508037428 XSYFMFSKHPOVPV-UHFFFAOYSA-N 410.482 1.405 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CC(N)=O)CC1 1508086113 XUMBNAAEBYFGMU-UHFFFAOYSA-N 417.539 1.028 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCn1cccn1 1508093489 CCFOEWGTMIZKPP-UHFFFAOYSA-N 418.505 1.916 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)C1 1510285756 HZXYOFCABUYKGA-UZLBHIALSA-N 402.499 1.450 30 10 HDEE CCCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1515122534 BVFGZJQBTFBOPP-BFYDXBDKSA-N 404.515 1.452 30 10 HDEE CC[S@](=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1516873687 BZIBNJISARIQLV-UULLZXFKSA-N 418.592 1.876 30 10 HDEE COCCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1519049565 LKENMPJMFCOLGI-KRWDZBQOSA-N 404.540 1.627 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCSCCCO)cc1 1521082475 HJCYTZWNEJYCGS-INIZCTEOSA-N 400.508 1.244 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1526046760 YZLGIGDCHDPNHL-UHFFFAOYSA-N 401.463 1.394 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1 1527047729 JSHSPEARSNGGKY-UHFFFAOYSA-N 408.867 1.893 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NC2(C#N)CCN(C)CC2)N(C(=O)OCc2ccccc2)C1 1527854463 RWEGRDBYEOOVDN-MSOLQXFVSA-N 400.479 1.517 30 10 HDEE Cn1ncc(C2CC2)c1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1529196344 DJFKTCQWJXNKCD-QGZVFWFLSA-N 406.446 1.691 30 10 HDEE CC(=O)Nc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc(C(F)(F)F)c1 1536180754 WHKNBJYRTGPSRR-BBRMVZONSA-N 415.393 1.674 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1536709696 XEKCMAHJLDYNEQ-USGNIVHTSA-N 403.479 1.597 30 10 HDEE O=C1COCCN1CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1538725942 DELQIRDKHODWAW-OCAPTIKFSA-N 410.261 1.475 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1 1539038582 RWIJPBRWCJFNQT-YLAKUSLOSA-N 407.584 1.897 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1539148423 KLEVHYHWJASSMM-ZIAGYGMSSA-N 405.549 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCc1ccco1 1539154610 IZLQMIUCXMUOAB-UHFFFAOYSA-N 409.446 1.941 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncn(-c2ccccc2)n1 1539201247 ZGADNFOKAQKTES-LPHOPBHVSA-N 407.478 1.701 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1539210761 GGHWHNCTNFKJHT-QGZVFWFLSA-N 419.551 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccccc1OC 1539260191 LRFQVFHMIKSWNP-IRXDYDNUSA-N 407.474 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1 1539296703 TVIQBMRFCVAAEW-HNNXBMFYSA-N 403.483 1.539 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC12CCOCC2 1539401302 ZQXAMKIGLYIKAS-AVRDEDQJSA-N 418.538 1.833 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1539428633 VEHOCHIGGBVLOR-RTBURBONSA-N 415.586 1.292 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1540866781 ZVJRZEZYERTFJV-GFCCVEGCSA-N 420.876 1.707 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540866850 CIOCFCQCDZVVOL-HUUCEWRRSA-N 405.524 1.505 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)C(C)C 1540869787 WYFLTUWTGXRMSF-UHFFFAOYSA-N 409.494 1.729 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1540871044 BYPPSGGGJUSZBB-HZPDHXFCSA-N 413.478 1.360 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1C(C)(C)C 1540908780 NSXAYZPTWPNWIJ-ZDUSSCGKSA-N 406.574 1.046 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1541806795 SRKHRBDPTWLGBT-CVEARBPZSA-N 402.499 1.682 30 10 HDEE Cc1ccc(OCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1542491379 POUNOWAYVFGJAS-QZTJIDSGSA-N 410.478 1.736 30 10 HDEE CC[C@@](C)(O)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1545230594 PNODKVRRXOGEOR-JOCHJYFZSA-N 419.489 1.960 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(OC)CCOC1 1545860815 GKAVDMXFLVQQKJ-HXUWFJFHSA-N 404.515 1.742 30 10 HDEE CCCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1547075218 ZCWUMBHKQYHLLH-XJKSGUPXSA-N 402.496 1.147 30 10 HDEE CCN1CCC(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CC1 1547654666 CRHAQAUFZHYXLS-PKOBYXMFSA-N 420.558 1.853 30 10 HDEE CN(C)CCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1552877373 OGXLKSMDAWULHP-LJQANCHMSA-N 423.521 1.588 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CCC2)cc1 1554868839 GBZDQPKUJVZOFG-ADKRDUOOSA-N 415.519 1.984 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)NCCOCCS(N)(=O)=O)c1 1556520964 MBFUXVIZKJMCQR-UHFFFAOYSA-N 403.460 1.172 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1 1558654298 FUYBQCUKZXDWSV-IRXDYDNUSA-N 419.503 1.432 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCc2c(CC#N)cccc2C1)[C@@H]1CCS(=O)(=O)C1 1560042291 KMPONRYHVOVQDP-QFBILLFUSA-N 403.548 1.925 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1567194341 QSDSCKFBQHQAHF-IRXDYDNUSA-N 417.462 1.915 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(COC)COC)CC1 1570318470 RCFRWJWKXAOSOE-INIZCTEOSA-N 419.950 1.828 30 10 HDEE Cc1nc([C@H]2CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 1570396988 ZJJMSQUQIJLBPE-HOCLYGCPSA-N 407.434 1.206 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C2 1570758061 FPMHSRVZCAZWSU-IBGZPJMESA-N 406.442 1.961 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1)c1cc[nH]n1 1583394676 XCADKEOSRKFTIU-GJZGRUSLSA-N 407.515 1.566 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O 1584109320 XYPKUWREWXVBGC-UHFFFAOYSA-N 420.425 1.566 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1584530295 IUQZLSPTETYAMF-LJQANCHMSA-N 401.507 1.816 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)cc1C 1585432099 VFOCZJLVUKWSGK-HXUWFJFHSA-N 405.520 1.845 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)C1CCOCC1 1586729978 JDZOFXONOBJJPW-IBGZPJMESA-N 419.547 1.695 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1587798072 BBKQNARKFJSKSV-SFHVURJKSA-N 422.537 1.823 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1587852555 WARITISHEAMFJU-LJQANCHMSA-N 414.554 1.724 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1588014055 IOJLCTUBRXCFGL-QAPCUYQASA-N 413.478 1.625 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1588109827 OQADHBHOBHNTBM-UHFFFAOYSA-N 410.869 1.240 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnc2n1CCC2 1588113708 QSQSMNPVJYLQPC-UHFFFAOYSA-N 417.473 1.621 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)C(=O)OCC 1588121848 JGORVRPVGFOHCJ-AWEZNQCLSA-N 407.854 1.374 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)C(C)(C)C 1588240881 GMTFNEZETXXFJF-UHFFFAOYSA-N 413.547 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(N(C)C)nc2)CC1 1588813301 WXNWZXVZXZZSNK-LJQANCHMSA-N 409.538 1.437 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1589581558 SSXFJOPPFIZGIZ-HCXYKTFWSA-N 419.526 1.452 30 10 HDEE C=C1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCS(C)(=O)=O)CC1 1594097013 LAZKNSYQKVCPMA-QGZVFWFLSA-N 404.492 1.992 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1594783959 MUCACDFSIHMVNP-DLBZAZTESA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CC1COC(C)(C)OC1 1595543901 BHNVWOYBLPRECI-INIZCTEOSA-N 407.515 1.657 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1613558408 ATHAOSOPJDOMRH-YRVHBCJASA-N 424.546 1.940 30 10 HDEE C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1618411271 PRDPSZLKRQODOD-VCBZYWHSSA-N 413.540 1.999 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1620178219 BDDPMCLIGFGXGB-HPGBDJQBSA-N 408.503 1.257 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1O 1620302290 YIWZTXSAFXVIEK-PBHICJAKSA-N 408.466 1.113 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCOC(F)F)cc1 1620350400 IWVIPLNJHLIELC-KRWDZBQOSA-N 418.448 1.967 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1620355152 HAUJCRWALYSIAJ-KRWDZBQOSA-N 405.886 1.650 30 10 HDEE N#C[C@]12CN(CC[S@@](=O)c3cc(Cl)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1620635777 ZAPSHCNNVZDUJA-HWKBYUMMSA-N 407.344 1.971 30 10 HDEE C=CCN(C(=O)c1nscc1I)[C@H]1CCS(=O)(=O)C1 1625390374 WCRXDDRSSSDWTD-QMMMGPOBSA-N 412.274 1.563 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 1626975211 ZMWQYKJYZXTTSH-BPUTZDHNSA-N 416.540 1.933 30 10 HDEE Cc1ccoc1C(=O)NCCCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1628638428 QQVPZVCNNIMVGA-UHFFFAOYSA-N 407.423 1.574 30 10 HDEE C#CC1(O)CCN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1630038707 GSFQQWNXQSPNSS-UHFFFAOYSA-N 413.478 1.397 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1630127634 KMBCOHQTKRKIIT-PJQXDXOGSA-N 417.307 1.882 30 10 HDEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@H](C#N)CO 1635475114 BLPPMCJGEGVARG-ZWNOBZJWSA-N 400.298 1.301 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)NCCc1ccccc1 1635594668 HOYYSTFHGOWCLE-INIZCTEOSA-N 413.499 1.337 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)cn2)cc1 1636093194 HKDHKSYCHLGSGE-LSDHHAIUSA-N 412.393 1.965 30 10 HDEE CS(C)(=O)=NCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1638896627 RSIKQJZCTSWBKI-UHFFFAOYSA-N 405.480 1.866 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H]2COCC[C@@H]21 1639369852 NPUMEHLOISHPMJ-DLBZAZTESA-N 421.519 1.302 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1ccnc(C#N)c1 1640009985 XMYRYDCUGWZCQJ-KAOXEZKKSA-N 406.364 1.555 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 1640219206 RAGNLFKAPMNKCY-NRFANRHFSA-N 404.518 1.813 30 10 HDEE CCCOC(=O)C[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)CC(C)C 1640882083 HYIUHXXEXQEQSK-HNNXBMFYSA-N 423.535 1.847 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)c1 1641101558 VQWSCMQNMBINME-HNNXBMFYSA-N 409.508 1.631 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CSc3ccccc3O2)c1 1641664730 WADVKVYNNKIEPY-OAHLLOKOSA-N 417.512 1.896 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)CSCc3ccc(C#N)cc3)CC2)CCOC1 1641761429 YLENVLVISOZINN-FQEVSTJZSA-N 403.504 1.268 30 10 HDEE C#CC[C@H](NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1642415652 WCEGYKUYLJTLNY-XGHQBKJUSA-N 402.447 1.484 30 10 HDEE N#CCCN1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1644200296 DGEZJRRUQBSXGM-GOSISDBHSA-N 410.440 1.698 30 10 HDEE C[C@H]1C(=O)N(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C(=O)N1C 1645982024 UDCWTTGNJXRTSP-VIFPVBQESA-N 406.240 1.071 30 10 HDEE N#Cc1cn(CCC(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)c(=O)nc1O 1647814536 BPBBZVNUOPAFJC-UHFFFAOYSA-N 421.186 1.627 30 10 HDEE CC(=O)N[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1648028660 JKNDHYVAMWIBOJ-INIZCTEOSA-N 415.837 1.125 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCO[C@@H](CC(N)=O)C2)nnc1-c1ccco1 1648326670 DTRQYGOLNZNKBY-ZDUSSCGKSA-N 405.480 1.309 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1649538053 LTYCIWWJVLUWTC-BEFAXECRSA-N 410.540 1.213 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H](NC1CC1)C(F)(F)F 1651257425 CPLNETTWBZRUMD-IAQYHMDHSA-N 418.441 1.414 30 10 HDEE Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1C 1652332091 OZKHOGLEMGKEJU-MRXNPFEDSA-N 413.503 1.934 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 1653585270 TZXVSGCOIIAFOS-NRFANRHFSA-N 400.500 1.986 30 10 HDEE COC(=O)[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C(=O)OC 1655079859 OSJFDTZCHOOYLO-KBPBESRZSA-N 405.476 1.331 30 10 HDEE C#CC1(O)CCN([C@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1659571012 FSNUUACZBFLVFW-CYBMUJFWSA-N 413.927 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1674143310 JZLPCUBHDLNSCE-KDOFPFPSSA-N 405.451 1.701 30 10 HDEE C=CCn1cc(CNC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)nn1 1674697525 XDXOQQKRDUBVKR-UHFFFAOYSA-N 407.519 1.206 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1676383364 HYICJRBVQJSZNS-OAHLLOKOSA-N 405.455 1.962 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CC2(CCOCC2)CO1 1684668090 ZGABVIJGLLTWNK-HZPDHXFCSA-N 400.483 1.154 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1689884554 ZOMGEMFQYXYSML-QGZVFWFLSA-N 416.551 1.909 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689998703 UHGQCUJNPOUYLT-AXVVYFOYSA-N 422.551 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(CC)c1 1690006468 PYGLZSSXBDUFHU-UHFFFAOYSA-N 422.514 1.686 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1690046405 BXBQRIMHGQELMV-FQEVSTJZSA-N 420.517 1.525 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cl)nc1 1690092666 QPUXJDRSHJKQQF-UHFFFAOYSA-N 402.886 1.697 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690311314 HPFQCQGROSGYBS-IEBWSBKVSA-N 400.527 1.941 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690506485 PCTWVDBMKFXMLO-UHFFFAOYSA-N 420.539 1.731 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690507638 RNRNBBXRFFTCIC-KRWDZBQOSA-N 418.542 1.517 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1690819707 LYJCNBHAXSVFTF-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694175871 LPZBTLQFNIVKQK-DXNFXHBHSA-N 402.499 1.791 30 10 HDEE CCOCc1nnc(N2CCN(CCOC)[C@@H](CC)C2)n1Cc1ccc(C#N)o1 1696338479 MHNBFCMKYARVGR-INIZCTEOSA-N 402.499 1.875 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1696442974 ROMSMWBSDQKDAG-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1705476876 GOUFHMWAKFDJQF-KGLIPLIRSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1705491060 XAZBUXLZIKWPPF-HZPDHXFCSA-N 422.489 1.455 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1705500503 ONJXCRGUAQXKHS-QGZVFWFLSA-N 423.521 1.138 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705553725 WGAOSGIVWGYQQG-MSOLQXFVSA-N 402.543 1.436 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C1CCCCC1 1705595544 XCPNCCWGHRRMNU-UHFFFAOYSA-N 407.522 1.933 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(-n2cncn2)nc1 1705626181 LMGLQHFGBXVCLJ-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2csc(COC)n2)CC1 1705639261 KGWUZHIWMRVCSS-OAHLLOKOSA-N 402.524 1.188 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)C1 1705705061 CIKQMVYMDOJBPV-VQIMIIECSA-N 403.527 1.997 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)C1 1705708942 IVWQISTVRNYKPL-QRWLVFNGSA-N 415.469 1.914 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705828942 CQNLKDDSAKVYIQ-INIZCTEOSA-N 414.514 1.670 30 10 HDEE C=CCN(C)c1nnc(Cc2ccsc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705844970 ADQAESBBHQJWCB-UHFFFAOYSA-N 424.530 1.816 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705938851 LCJKGUKTKXGBCC-GVDBMIGSSA-N 410.540 1.878 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC(F)F 1706864320 ICEXAMGOIVPBLO-LLVKDONJSA-N 406.459 1.258 30 10 HDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1709402908 OSUMAMNRDNVOOB-ARJAWSKDSA-N 420.521 1.960 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C[C@H]1C 1712476794 AULMPGXVOCEUIX-VQIMIIECSA-N 416.501 1.958 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](Cc1ccccc1)OC 1722341899 GGBIFYGZYHEINI-NVXWUHKLSA-N 405.524 1.215 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(SC)cc1 1722344906 MKBAYYPQDLUKEI-CQSZACIVSA-N 407.565 1.922 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1CCS(=O)(=O)CC1 1722349526 QWMCFAPNPTZTSS-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(=O)(=O)CC 1722356665 RAUBLPGMJGRNGU-UHFFFAOYSA-N 400.508 1.359 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1722361644 INJJFNSMFMOVAI-SOKVYYICSA-N 420.560 1.340 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CC(=O)NCC(F)F 1722420008 FICWHWHELIMSND-HNNXBMFYSA-N 421.423 1.942 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722456991 LRNPBEGJTVYLEL-HNNXBMFYSA-N 420.560 1.943 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1722702438 NWAJMXNXWOETHC-CVEARBPZSA-N 418.542 1.343 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCCCC2)CC1=O 1729598033 FLRNTBWNFRVHJE-UHFFFAOYSA-N 407.522 1.971 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1729717167 ADLOATQNIFWCMB-QGZVFWFLSA-N 409.494 1.257 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1729762498 HREXESXCYKLYPV-OKZBNKHCSA-N 411.462 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740560226 FEPRAYAYFKEODB-HNNXBMFYSA-N 401.536 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)F 1740650524 DDJZTHWMJSCPAG-UHFFFAOYSA-N 415.400 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1740652562 FBZFXEZUFSVZIL-GOSISDBHSA-N 418.505 1.542 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(C)CN(C)C1=O 1740687751 GLERYPHCIUACMZ-HSZRJFAPSA-N 420.517 1.845 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1740717627 XIXYHHGQLYACPU-INIZCTEOSA-N 424.592 1.554 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740786212 UVFMNHKKKXJSAP-UGUYLWEFSA-N 400.545 1.836 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1740876432 RWMIPYODSKYSAV-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1740960256 OCADQEDPVUFZHH-UHFFFAOYSA-N 400.531 1.677 30 10 HDEE CC(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1741119416 NFJFNKKGLNONIT-IBGZPJMESA-N 412.494 1.729 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(C(C)(C)C)no1 1741678168 BVOPVFMSYIUSJV-CQSZACIVSA-N 401.471 1.479 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1748801738 FOWRJHSUTBZOLS-INIZCTEOSA-N 403.508 1.480 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1748804917 FOAZBHBXDBJGOW-KUHUBIRLSA-N 402.405 1.867 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1748830163 PWBBLNUDPBANEM-GOSISDBHSA-N 413.444 1.497 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](F)COC 1748876625 NAHYPUPQXZARKG-QGZVFWFLSA-N 408.441 1.368 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2([S@](C)=O)CC2)CC1 1748995153 YOYOIPYSJAHNPR-LJAQVGFWSA-N 411.575 1.730 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)C)CC1 1749019623 BFQICRANGNDEPL-UHFFFAOYSA-N 404.584 1.847 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749040291 SOOSHKBDJPWDGI-KRWDZBQOSA-N 417.510 1.326 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O 1749143499 KMDCTEBAUVIFDU-AUUYWEPGSA-N 424.571 1.302 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CC1 1749666025 DTCPBECOVLSZPX-UHFFFAOYSA-N 403.512 1.139 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1750009166 SQYIEZXRHFFLFI-JKSUJKDBSA-N 403.487 1.130 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C1CC1)N(C)C 1750139792 RMCMCGMFAJNYNW-OGNFBWPZSA-N 406.506 1.784 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(Cl)nc1 1751208380 WPYCXDVRUPCXJF-NEPJUHHUSA-N 411.919 1.723 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760161424 JRAVJGLVLCTUOS-MRXNPFEDSA-N 409.556 1.446 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCCO2)CC1 1760256167 FFPQWEXALABYJJ-RXVVDRJESA-N 403.527 1.255 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1760352726 WVVVOXXWDSSAAU-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1760503797 PUKFTWLRUWQQMI-UHFFFAOYSA-N 420.539 1.323 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1760514936 OZCLIUZEVWOOIW-HNNXBMFYSA-N 414.510 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC)[C@H](C)C1 1760555890 PYOFVODDVMVJCC-SJORKVTESA-N 411.572 1.303 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)C1 1761546456 WWKQTQRNFAYAAS-UTKZUKDTSA-N 416.526 1.726 30 10 HDEE C[C@H]1C[C@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1762714718 HUUGZYPDMQXQEO-GJZGRUSLSA-N 402.524 1.848 30 10 HDEE CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N(C)C[C@H](C)C#N)CC1 1767158199 CHHUZYROUYCXFT-LJQANCHMSA-N 410.570 1.887 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1768243092 CMVHQZPNWKZPJC-MRXNPFEDSA-N 412.878 1.870 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1769309656 YMTIFOSKXCFRHR-UHFFFAOYSA-N 411.422 1.091 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1769559387 DVKKAHBJIGJRRQ-UTKZUKDTSA-N 412.494 1.525 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1770109385 ANYIQUCYKBYWLD-SFHVURJKSA-N 412.494 1.537 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1770939929 BWJKOMLPSYUQGY-OTWHNJEPSA-N 413.478 1.208 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1771112378 NBFJFSOTSAUCSN-DBXWQHBBSA-N 419.526 1.877 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1771543368 CUZWPKZNEBYXAR-IAGOWNOFSA-N 423.539 1.116 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1772564390 VGUNZNXFPZEQAI-AWEZNQCLSA-N 420.491 1.610 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1772787937 GCGGMRZPMCVCLW-UHFFFAOYSA-N 421.456 1.120 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)ON1C(=O)c2ccccc2C1=O 1772791059 YDCQWBGSKQYPHV-UHFFFAOYSA-N 404.382 1.827 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CC2)c1 1849839624 FOSRZQOPAFGGEU-UHFFFAOYSA-N 402.451 1.324 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3COc4ccccc4O3)c(C#N)cc2C#N)CC1 1851526843 YNLDOOQHMUAGQI-GOSISDBHSA-N 404.430 1.355 30 10 HDEE CCN1C(=O)CN(CC(=O)N(c2ccccc2)c2nccc(N(C)C)c2C#N)C1=O 1852251070 ADMUUWSFJJRRNP-UHFFFAOYSA-N 406.446 1.968 30 10 HDEE C=CCN(Cc1cnn(C)c1C)C(=O)c1cnc(N2CCOCC2)nc1COC 1853412773 DISNKXHAXZIFLG-UHFFFAOYSA-N 400.483 1.330 30 10 HDEE COc1ccccc1Cc1noc(C2CN([C@H]3CCCN(C(=O)CC#N)C3=O)C2)n1 1853961634 XYGOMTACGIVDNS-INIZCTEOSA-N 409.446 1.499 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCc3cc(C)on3)C3(CCCC3)C2=O)CC1=O 1854210955 QULHMWQIPDQWJL-KRWDZBQOSA-N 414.506 1.544 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc3ccccn3n2)C1=O 1854263897 ZZBCWWNPBDEGHG-RTBURBONSA-N 409.490 1.574 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854343989 FIPTZADFPQXCOG-LJQANCHMSA-N 412.490 1.931 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1854667497 DGIRHYJAHZDHTQ-BBRMVZONSA-N 409.895 1.266 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854862145 HUQNMUSRNFGEKB-KRWDZBQOSA-N 409.446 1.782 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4cccnc4n3)C(=O)C2)C1 1855046772 PDOGASSXIBWHOR-AEFFLSMTSA-N 406.490 1.681 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3ccc(C(F)(F)F)cn3)CC2)CCC1=O 1855138408 PMWJSWICEMKWQO-CQSZACIVSA-N 409.412 1.901 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1 1855354405 JGNGGZXZRLRGLA-KRWDZBQOSA-N 405.520 1.253 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)CC2=O)c1 1855537062 BOIHZSHJKPWWFF-IRXDYDNUSA-N 412.490 1.659 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855723914 SDIUUFAFXUZNQP-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE CC(=O)N1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1855795555 GXUDYSMUGPJBDZ-GOSISDBHSA-N 402.882 1.701 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(-n3cnc4ccccc4c3=O)cc2)C(=O)C1 1856068372 GBYDRNVQDIMCML-UHFFFAOYSA-N 401.426 1.584 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC(Cn4ccnc4C(C)C)C3)C2=O)CC1=O 1856515257 BJMFGMDGGLHNDZ-ZWKOTPCHSA-N 413.522 1.100 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4COCCO4)C3)CC2)cc1 1856635830 VAAIVJHUZVJJIZ-XLIONFOSSA-N 413.474 1.192 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(F)cc3)C2)CC1 1857042232 UNSCGKMRVUAHPP-INIZCTEOSA-N 407.467 1.309 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@H]3Cc4ccccc43)C2=O)CC1 1857069841 YEYWHSUBGFITCG-VQTJNVASSA-N 401.470 1.543 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCC(=O)c2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857264413 MPRRFAWOJWDXRN-PKOBYXMFSA-N 411.502 1.743 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNC(=O)c1ccc(Cl)cc1 1861493847 WHOKONPHQCYJSS-SFHVURJKSA-N 415.877 1.805 30 10 HDEE N#Cc1nnn(Cc2ccccc2F)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107450 JKZLJCWGUKIRJE-UHFFFAOYSA-N 418.388 1.962 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1C(=O)O 1874432434 GCASRZAGHAFUAS-ZVBGSRNCSA-N 418.479 1.113 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCc3ccncc3)ncnc21 1875230344 VEKWZNMLANZUEC-UHFFFAOYSA-N 419.489 1.929 30 10 HDEE N#CCS(=O)(=O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 1881292579 ZKJFWWYAEHISSA-SFHVURJKSA-N 414.439 1.917 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](N(C)c3ncc(C)cn3)C2)cs1 1890469705 LGZDWRXAELEBJO-AWEZNQCLSA-N 400.508 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNCc2occc2B2OC(C)(C)C(C)(C)O2)C1 2023447364 RKENYEXNMRHNRS-UHFFFAOYSA-N 422.331 1.898 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)CO1 2118163317 PMBMLJBASPXIHW-RYUDHWBXSA-N 401.510 1.828 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)C1CCOCC1 2157048258 YQCOTKWGOAFTFM-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)N1CCC(C#N)CC1 2174787775 XWABRPFXKZCZPD-ZBFHGGJFSA-N 400.545 1.949 30 10 HDEE COC(=O)CCS(=O)(=O)N[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177630999 KCCLFVCCUWUZHU-NSHDSACASA-N 403.331 1.591 30 10 HDEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cc(C#CCN)cs1 2177662492 CYJHDGGMGYXUEZ-HNNXBMFYSA-N 405.545 1.855 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N[C@@H](CCC(=O)O)C(F)(F)F)C(F)(F)F 2180577673 UDJNODHNBIEYMV-RNHFCUEFSA-N 406.201 1.898 30 10 HDEE CN[C@](C#N)(Cn1cnc2c(I)ncnc21)C1(Cl)CC1 2206502877 UKDMJUVTDOGFPH-GFCCVEGCSA-N 402.627 1.684 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)[C@@H](O)C1 2243685029 LZAFMONQFXFPSZ-GJZGRUSLSA-N 408.304 1.355 30 10 HDEE CN(CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)Cc1ccccc1 2247778425 BSZGTGDTNNWLGB-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247813986 MZSDXZFKASOWKY-AWEZNQCLSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2253350919 MFUNVZJKXIZQIW-VFNWGFHPSA-N 420.315 1.763 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)OC1(C)C 2256066886 IMSVFYDMPFZFBX-MSOLQXFVSA-N 420.322 1.875 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CC[C@@H](CC#N)C1)NC(=O)OCc1ccccc1 2258137825 BGYIQOIJRQKDGD-ZBFHGGJFSA-N 409.464 1.020 30 10 HDEE C#C[C@@H]1CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167053 DMTDOQITRRMJQU-DJIMGWMZSA-N 408.476 1.176 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258168748 DYFABYVADUGIMQ-HOCLYGCPSA-N 414.480 1.219 30 10 HDEE C[C@@H](CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2281816907 DSJRDERTBUMMIU-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282302125 UOBITNKPUTZCQR-CYBMUJFWSA-N 400.375 1.634 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(CO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282314754 DWPBBJFTQXIHSU-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CC[C@@]4(N)C3)cc2Cl)OC1(C)C 2282316830 IOZQSSDCRYJCLM-MGPLVRAMSA-N 418.777 1.813 30 10 HDEE COC(C)(C)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282496376 ZSPIOQVDWAZLTD-NSHDSACASA-N 404.363 1.675 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](CO)C2)OC1(C)C 2282501551 YOGMXBWRZHMNEP-ZDUSSCGKSA-N 401.359 1.581 30 10 HDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CCC2(CC1)OCCO2 2282544638 SWMPVSCTHUDCLV-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCNS(C)(=O)=O)s1 2282659786 QKRBUNGVZVDEEA-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE C[C@H](O)CN(C[C@H](C)O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282662941 INQZEOZZZWHEIG-QWRGUYRKSA-N 403.737 1.905 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](C)S(C)(=O)=O 2282856489 TWHUCFYILMHVOT-QWRGUYRKSA-N 423.387 1.147 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](N)CC(F)(F)F)OC1(C)C 2282870115 NAAAOTKUSCSDLJ-VIFPVBQESA-N 414.280 1.605 30 10 HDEE CC(C)(NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)[C@H](O)C(=O)O 2284378585 POAHMIJEMPBIDO-SNVBAGLBSA-N 403.693 1.655 30 10 HDEE C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COCC)=C31)O2 2333100233 UBMOPFJLLXVNIM-CGRMTHRGSA-N 408.447 1.661 30 10 HDEE COC1(C#C[C@@H](N)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363598453 RMZRXWMPTYVTQI-CVEARBPZSA-N 400.541 1.701 30 10 HDEE COC[C@@](O)(CCCNC(=O)OC(C)(C)C)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172612 BYWBANHNEDUYMI-SFHVURJKSA-N 405.513 1.065 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2365208174 BPVYZYWQXLWKBV-HOTGVXAUSA-N 402.557 1.721 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240259 CVXDDKVGZDBDQY-ACJLOTCBSA-N 403.497 1.540 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@H](O)c2cccc(I)c2)CC1 2367815374 FAGUZCVXUGGGHB-CHWSQXEVSA-N 405.257 1.233 30 10 HDEE CC(=O)c1ccc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)cc1 20292675 JSWHSJWDLGWVFN-UFFVCSGVSA-N 410.463 1.766 30 10 HDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2ccc(F)cc2)cc1 33909212 CZCUTNSNXOAOPS-KMKOMSMNSA-N 421.479 1.314 30 10 HDEE C=CCSc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2N)s1 59044178 DEGXMWKCVWVNIL-UHFFFAOYSA-N 406.522 1.914 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)c(C)n1 102744263 RBYSAQXZORBJSI-HQMFNGAOSA-N 423.473 1.242 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 410177868 JFTFJBHKVLRKGJ-SFHVURJKSA-N 405.520 1.333 30 10 HDEE C=CCN1CC[C@@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 410308861 ZOUKFCNOVKUUGG-MRXNPFEDSA-N 417.453 1.799 30 10 HDEE COCCN1C(=O)CCc2cc(NS(=O)(=O)c3cnc(C)c(C#N)c3)ccc21 427344584 APCQDMNHSRHKMR-UHFFFAOYSA-N 400.460 1.988 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)NCC4(CC#N)CC4)CC3)C2=O)n(C)n1 431199930 VFLJYXUXQWWOPG-QGZVFWFLSA-N 413.526 1.245 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)NC)c2ccccc2)cc1 435948484 DWPIYOIMPZZCBJ-SFHVURJKSA-N 401.488 1.758 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460368090 DTKUBGKBTTVGLR-ZBFHGGJFSA-N 407.482 1.587 30 10 HDEE CC(=O)N(C)c1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482212595 NWSNTAMVIUYZGK-CYBMUJFWSA-N 400.460 1.846 30 10 HDEE Cc1cccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1C#N 502013112 YNTAECUWKZAICD-UHFFFAOYSA-N 417.512 1.632 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 506067273 RIVCQTKAIYFXIU-MRXNPFEDSA-N 422.551 1.171 30 10 HDEE C[C@@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccc(C#N)cc2)CC1 507802647 WAZMEXBAFQLUNF-DOTOQJQBSA-N 405.520 1.435 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3F)n2CC=C)CC1 508933171 WWJYRKXNOKYHOU-UHFFFAOYSA-N 414.485 1.606 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(CNS(C)(=O)=O)CC1 510175368 JASHEVXNILITFI-INIZCTEOSA-N 422.551 1.592 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)CC1 525069863 FWGLARJOKUSDQG-UHFFFAOYSA-N 400.523 1.361 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](c4ccccc4)OC[C@H]3C)CC2)o1 533262901 DHZMWYRCAKSSJY-OXQOHEQNSA-N 409.490 1.965 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NC1(C#N)CCCC1)n2C 589211294 WPKBHTYGINEQRM-UHFFFAOYSA-N 403.508 1.709 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)CC3(C#N)CC3)CC2)cc1OC 590243420 GNZODPSGSBKPLI-UHFFFAOYSA-N 421.519 1.915 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 610798454 IDDJYWLKDHPCLB-HNNXBMFYSA-N 420.535 1.332 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 619695680 IDUSICKRRKWKOU-QVKFZJNVSA-N 410.478 1.369 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cccc(C#CCO)c1F 703991755 VBRYLUJRTASMRQ-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CS(=O)(=O)NC(C)(C)C)C1=O 731643542 HJHKSLGUJXUXOH-KRWDZBQOSA-N 404.533 1.407 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(N2CCSCC2)cc1 732447460 FSZKBLJASYPHDK-HNENSFHCSA-N 415.519 1.565 30 10 HDEE CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732464895 BVRZQHVASIOCPJ-OSCRUYLVSA-N 419.526 1.631 30 10 HDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665351 YXNBXPBSZTULGH-MOPGFXCFSA-N 401.486 1.848 30 10 HDEE CN1CCN(CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@H](c2ccccc2)C1 732673640 BFXRIVNRPLZPHP-YADHBBJMSA-N 410.566 1.747 30 10 HDEE N#Cc1ccccc1NC(=S)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 734982647 TWGGOXHXWFGESF-UHFFFAOYSA-N 405.461 1.731 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 737881203 DCESMQZUDXNJGI-HNNXBMFYSA-N 417.491 1.951 30 10 HDEE Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 745099040 GGJWNMMGZMTMDS-ZCXUNETKSA-N 403.439 1.116 30 10 HDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1C#N 746959722 NYCUEQFYGUKLAC-UHFFFAOYSA-N 402.428 1.791 30 10 HDEE CCN1CCN(c2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc2)CC1 747495421 MVWBGDZXXACPBO-UHFFFAOYSA-N 421.501 1.964 30 10 HDEE COC(=O)/C(C)=C/COC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 748155180 KMBFBLLNCRVXDE-GLNPCMGASA-N 408.476 1.802 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 750433775 HOPFWKWGFNRJPK-UONOGXRCSA-N 415.471 1.557 30 10 HDEE CCOC(=O)c1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(S(C)(=O)=O)c1 753545864 IPPNKKSVMXVZEJ-MRXNPFEDSA-N 420.491 1.471 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCC1 757175108 OTJUGGBSEULOJA-UHFFFAOYSA-N 406.504 1.921 30 10 HDEE CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760405086 KCYUAXWXCGIIME-CYBMUJFWSA-N 401.554 1.854 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1 760661400 COLHLCDIBJTZDE-HOTGVXAUSA-N 401.463 1.990 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCc2cc(-c3cnn(C)c3)no2)c1 769062915 JDAKZPYJUHXMEF-UHFFFAOYSA-N 402.432 1.896 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nccn3c(Br)cnc23)CC1 769639972 RINRPBHGGQJGFK-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)CC1(C#N)CCCC1)CC2 779317010 XINSQOHXWDYHGI-UHFFFAOYSA-N 421.519 1.592 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C)cc1 783697553 LANDCADGOOFBOX-QFBILLFUSA-N 421.413 1.578 30 10 HDEE CC(C)(C#N)CC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 785077519 IZDZYSJSJWWFRR-JYRVWZFOSA-N 419.503 1.614 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCO2 789968117 JIPMQPSZWQFPRX-LBPRGKRZSA-N 400.464 1.892 30 10 HDEE COC(=O)[C@H]1CCCC(=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 794908934 NWTVIUNNKZKNFS-AWEZNQCLSA-N 409.512 1.149 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 800779283 MPPAOOYIZRBPED-CYBMUJFWSA-N 413.873 1.711 30 10 HDEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 804370495 PWVIBFSVYNMAHA-RISCZKNCSA-N 419.425 1.684 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 804718841 WBBQLFYDBLTWDW-OAHLLOKOSA-N 404.529 1.927 30 10 HDEE CCN(CC)C(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780813 GPVRFVGMGOFWFQ-BQASMSSTSA-N 421.498 1.555 30 10 HDEE COc1ccc(CCNC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1 1084399246 RPCIXBBPUAKUMU-UHFFFAOYSA-N 414.495 1.444 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1129171387 AZEXTCCYRPZDJB-HOCLYGCPSA-N 423.922 1.990 30 10 HDEE Cc1nsc(N2CCN(C(=O)/C=C\c3ccc(S(C)(=O)=O)o3)CC2)c1C#N 1129488629 VMYXZINOCHUZSK-HYXAFXHYSA-N 406.489 1.682 30 10 HDEE C=C[C@@](C)(O)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1136501861 HHVQKQCKNRJEQS-GOSISDBHSA-N 413.496 1.365 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@H]32)c(=O)nc1O 1148392758 HIBIWMXPSJPQQC-BPLDGKMQSA-N 415.247 1.285 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCc2nc(CS(C)(=O)=O)n[nH]2)cc1OC 1157033151 UAOFZRIMGONKEY-VURMDHGXSA-N 406.464 1.252 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)ccc2c1=O 1158458593 JIWDLWBOIJNEEU-CYBMUJFWSA-N 424.486 1.376 30 10 HDEE CCOC(=O)c1nc(NCCN/C(O)=C2/N=CC=CC2=O)ccc1Br 1162438281 VMCOVUYNHSASTD-PFONDFGASA-N 409.240 1.959 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3COCCN3CC(F)(F)F)CC2)c1 1164154988 HTHRKVMBSNOZMO-GOSISDBHSA-N 410.440 1.902 30 10 HDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)[C@H](C)N1Cc1ccccc1 1164478273 CGVCURWUBNEZCA-YESZJQIVSA-N 409.490 1.721 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OC(C)(C)C)CCC2)cc1 1164530112 AKWBJOURVKIBRZ-UHFFFAOYSA-N 406.504 1.982 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1nnc2n1CCN(C)C2=O 1177890481 SFEVRNNOZHLTII-UHFFFAOYSA-N 421.461 1.386 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C(F)(F)F)n(C)n2)s1 1180276969 OXTYOZVEMIZWHZ-UHFFFAOYSA-N 422.454 1.824 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O 1188422943 GJYBNSHGFZYPFF-OAHLLOKOSA-N 406.483 1.191 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1211887256 VQVKYWAOANQGEB-SJORKVTESA-N 400.522 1.483 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)NCC1(C#N)CC1)OC2=O 1227406478 IYNHHDLGOSQRJN-CQSZACIVSA-N 406.483 1.922 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)C1 1233853435 QCADLJBACJUTLV-RVMXOQNASA-N 406.405 1.558 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2)c1 1251357762 QIPPDDMVXGQHOV-UHFFFAOYSA-N 410.869 1.724 30 10 HDEE CO[C@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)COCc1ccccc1 1252877186 JTEROAJUALZOKE-DFQSSKMNSA-N 421.519 1.188 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)C1 1255362417 FAPIZWLTZLDCIC-RYQLBKOJSA-N 405.445 1.960 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1ccnn1C 1266854806 DAYHCBOEFPWRDT-YADHBBJMSA-N 419.485 1.896 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCn3c(CC4CC4)nnc3C2)cc1 1278367397 NTAKKCFGUKWXHH-UHFFFAOYSA-N 413.503 1.964 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1286297332 VVPPBMIDMPDUCB-JKSUJKDBSA-N 409.556 1.649 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1286323895 JVRUQNLGNBSKPY-SFHVURJKSA-N 402.543 1.234 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1286349275 GZKJYFFLAZMRHB-MRXNPFEDSA-N 418.523 1.669 30 10 HDEE C#CCCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@]1(OCC)CCOC1 1286359784 JYCOCGLBHZKDTB-LQWHRVPQSA-N 404.511 1.728 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1286379062 DYDGOVWUVOAPHG-UHFFFAOYSA-N 400.508 1.242 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)NC(C)C 1286412220 DBVWDFVUSCPASL-UHFFFAOYSA-N 405.549 1.331 30 10 HDEE C#CCSCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 1286513288 SNTHURYQVRCAPO-ARFHVFGLSA-N 405.568 1.875 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286696110 UHALOKPLVBSDDL-GOSISDBHSA-N 421.509 1.992 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1286703542 OAWOVUXYNHSRQQ-UHFFFAOYSA-N 401.515 1.361 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286712477 ZXMNKDHSEFVMIM-MRXNPFEDSA-N 417.489 1.630 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286758484 OOAMVTAVPOOUDR-HLIPFELVSA-N 422.551 1.697 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286792263 SEFHBUCGSXCSEI-MRXNPFEDSA-N 412.494 1.135 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1286816385 ICMVYUWPFZHZEB-MRXNPFEDSA-N 403.508 1.248 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)nc1)C2 1288828604 FBUUEVBFVZRQCT-IVZHQMGZSA-N 414.462 1.872 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1288999358 LOBVRHRZJLWEOS-DLBZAZTESA-N 412.469 1.651 30 10 HDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OC(C)(C)C 1290953943 CRHFWSRUWWSTKC-UHFFFAOYSA-N 409.508 1.423 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N(C)C)CC2(C)C)c1 1295683804 OGWGHCHTSKAPMM-UHFFFAOYSA-N 405.520 1.702 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CCC[C@](C)(C#N)C1)S(C)(=O)=O 1295814881 CXUMUFIGEHXTNZ-VQIMIIECSA-N 424.571 1.931 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1298047213 IBYQBCSLUMTZFJ-ZACQAIPSSA-N 410.492 1.176 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1 1298717625 UUJOGKVFXMAXPB-GVDBMIGSSA-N 405.462 1.900 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1300292463 JVTLZZHJQKMQLG-INIZCTEOSA-N 404.474 1.810 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1300432627 MPCRDHWWVPEVMC-HRAATJIYSA-N 410.478 1.723 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cnn2ccccc12 1300506575 VECNXBKFXVKLFA-UHFFFAOYSA-N 403.490 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCCS(C)(=O)=O 1300569207 GFOOPWFAOVLNHG-UHFFFAOYSA-N 400.504 1.851 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1300707225 XFILWYBKBNXEFP-XXBNENTESA-N 409.534 1.358 30 10 HDEE C=CCN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)[C@@H](C)COC 1300717852 QKWCPRUTPYJBRF-HNNXBMFYSA-N 422.551 1.806 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300760445 BLVWROZRYQZVHA-GJZGRUSLSA-N 400.570 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1300779258 SUDSGKPQTZAHMZ-PGRDOPGGSA-N 412.538 1.765 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1301187754 BMZMOLGPJUVZSV-SJORKVTESA-N 409.556 1.057 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CCO1 1301361262 OVFGZUOLGAQPFT-INIZCTEOSA-N 407.421 1.950 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1301439592 HGXKNOFJPNEALY-JOCHJYFZSA-N 424.505 1.415 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1301450828 MLAXOPUYSAISAN-ORAYPTAESA-N 404.471 1.532 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2CCCO)C1 1301552886 AHXXZBHGJHHCGP-RTBURBONSA-N 415.542 1.307 30 10 HDEE Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)c(=O)n1C 1304356803 DUWURZVVGVUJJT-OAQYLSRUSA-N 407.453 1.761 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)C#Cc1ccc(C(F)(F)F)cc1)C2 1305000321 IGNWQOOSEIALLL-OAHLLOKOSA-N 405.380 1.456 30 10 HDEE C[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1305170597 MLJLJJUQQMYHLB-UFOSLELVSA-N 400.483 1.687 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C(=O)OC 1309574609 ZLNHPSLFFUMSRN-LBPRGKRZSA-N 418.265 1.469 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1316069470 GDGAJCUMMKBPBN-SFHVURJKSA-N 411.510 1.097 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOCC1 1316169209 MZKCYRIMCHWRFH-QGZVFWFLSA-N 406.531 1.464 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1358928322 ZXYSUJHOJHROKQ-IBGZPJMESA-N 420.517 1.995 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1358957257 RTCZTDNNZYYFDC-ZIFCJYIRSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1358961938 HIOOHSNPSUKSIE-IRXDYDNUSA-N 424.567 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)c1nccs1 1359018414 OQPDSCHJLGGTGD-HNNXBMFYSA-N 402.524 1.860 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1359029591 BKVKPZVCPXIMQG-SIKLNZKXSA-N 415.538 1.767 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCn2cncn2)CC1 1359032868 GVKGPWOPDCOEEC-UHFFFAOYSA-N 422.493 1.009 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1359113481 JUSWKJCVKSOWDA-QGZVFWFLSA-N 423.539 1.963 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1359142283 DQTVKSFLJBQFHR-KGLIPLIRSA-N 405.952 1.894 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H]1CC 1359150764 GFEBZKATFYZLQV-SNPRPXQTSA-N 417.963 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2ccc(OC)cc2C1 1359298121 NWDNURGRLQSSPF-UHFFFAOYSA-N 405.462 1.609 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359298133 OKOLQPJKDILROO-AWEZNQCLSA-N 401.471 1.290 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CC1 1359396635 GYQCGYZROLPJCB-LJQANCHMSA-N 424.505 1.824 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1359716435 HUKDJENTZLXJGH-UHFFFAOYSA-N 406.498 1.677 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(=O)N2CCCC2)CC1 1440615396 BVKDPHNVSIJFDY-QGZVFWFLSA-N 421.542 1.340 30 10 HDEE CCOC(=O)c1cc(NC(=O)c2cccc(C#CCO)c2)cc(S(C)(=O)=O)c1 1445268920 GPVPSUBWZLCQSM-UHFFFAOYSA-N 401.440 1.863 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)c1 1452339712 PNYFDHOHKMTJEZ-HXUWFJFHSA-N 421.482 1.504 30 10 HDEE CN1CCN(c2ccnc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c2)CC1 1454648331 CTBCPICOXRYZLB-UHFFFAOYSA-N 413.503 1.259 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F 1455219802 NKUCOGIBDMJQJV-QYJJOZJTSA-N 411.380 1.554 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCCc2nnc3n2CCN(C)C3=O)cc1OC 1455374549 LUAXTEIWXGVNGV-VURMDHGXSA-N 411.462 1.309 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(F)(F)F 1455982629 GQPSTTCBHQPLJP-SNVBAGLBSA-N 414.203 1.688 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CC2(C#N)CCOCC2)CC1 1457186515 SPFRJPALNOYZTK-FQEVSTJZSA-N 412.534 1.588 30 10 HDEE C#C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1457951063 ONYJRNAUGGTOHO-WBMJQRKESA-N 418.437 1.917 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)C(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1458895267 ICKGTUOHQZAUFZ-OAHLLOKOSA-N 415.405 1.838 30 10 HDEE CCOC(=O)CC[C@H]1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1466314298 HQIILFXPOXZOKZ-CQSZACIVSA-N 408.455 1.275 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1471984430 XETBIAGIEZMAKA-QZTJIDSGSA-N 419.551 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCC=C(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1472035101 AUUXXNMNFDKBFY-KXBFYZLASA-N 409.508 1.340 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1C 1473067934 WXTWEQJHZTZNDK-UHFFFAOYSA-N 405.455 1.044 30 10 HDEE COc1ccc(NC(=O)CN2Cc3cccc(C#N)c3C2)cc1S(=O)(=O)N(C)C 1473601171 DGXSRDIXDMOYLI-UHFFFAOYSA-N 414.487 1.771 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)C[C@H](O)c1cccc(C#N)c1 1473620839 QSYODGIYCYSNTQ-IBGZPJMESA-N 410.474 1.595 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)ccc1C 1473841691 NOBUJTLKKBLHHB-UHFFFAOYSA-N 407.492 1.179 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(CC)c(OC)cc2C)CC1 1475012184 YGESHNJDYHSWHA-UHFFFAOYSA-N 407.536 1.012 30 10 HDEE COCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1504788282 LPVCDCGSHREVAS-XJKSGUPXSA-N 402.496 1.147 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1504814318 WIOPGBCCGAIHFM-KKSFZXQISA-N 415.494 1.741 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507559646 SXODTBHAJOLVHO-UHFFFAOYSA-N 421.553 1.928 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507591837 NWSSHFNLLHWMHU-ZDUSSCGKSA-N 420.457 1.487 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507593383 ZTLHPDCVNLIUQE-MSOLQXFVSA-N 414.554 1.375 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507596934 RKWLASVQTPJCHF-WCIQWLHISA-N 417.554 1.572 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C(C)C 1507637047 MWHOXJGZFUPURW-UHFFFAOYSA-N 407.478 1.161 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)C1CC1 1507661035 KKOKAAFDPURJSB-YADHBBJMSA-N 400.523 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1507670427 LBZDJRXXVUZPMC-QFIPXVFZSA-N 413.472 1.677 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC1CCCCC1 1507699926 LCJQQVIAWFRBLA-LPHOPBHVSA-N 403.527 1.911 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ncn(-c2ccccc2)n1 1507710001 BASPAXKLGRMTHD-GOSISDBHSA-N 421.505 1.887 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1507755209 SFHSWWBYRGKGER-IXDOHACOSA-N 420.583 1.141 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)C(C)C 1507765277 RCPBXBMMNHPIFK-QFBILLFUSA-N 410.588 1.611 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1507836107 XFBAZQDQZUZDAM-OAHLLOKOSA-N 414.466 1.517 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507846912 BLBKCSDXIWXVTH-UHFFFAOYSA-N 416.570 1.568 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1507967640 IUZCZZSAERLNFB-SCLBCKFNSA-N 411.503 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1508072803 KNDSNHLWYVJQSX-GBESFXJTSA-N 413.522 1.972 30 10 HDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1515672972 ATNAFLNAJFKGTE-XJKSGUPXSA-N 402.455 1.193 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1cnnn1C 1516601192 GNJIXMDOIQDBIN-UHFFFAOYSA-N 421.509 1.185 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517155061 HDOVCKCHEGNPKO-HTXNQAPBSA-N 410.482 1.442 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CCO1 1521128492 DCZAEICIUYQMGK-IAGOWNOFSA-N 402.499 1.303 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1523510118 LBCOJDAKCNCEHU-YJBOKZPZSA-N 410.492 1.636 30 10 HDEE COC(=O)[C@H](CCC(=O)N[C@@](C)(C#N)CN(C)C)NC(=O)OCc1ccccc1 1525356766 SCURGUDKBNTRSK-JXFKEZNVSA-N 404.467 1.195 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1538272470 VEORFMRLEMHYFU-ZJTDPSCFSA-N 410.430 1.317 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(F)(F)F 1538301807 MGTSJHUYPBIYPQ-LLVKDONJSA-N 404.395 1.872 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1538965696 PWSOCPMJFAMINM-JKSUJKDBSA-N 404.478 1.842 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1539004150 SEYBUXAPNLVICK-HNNXBMFYSA-N 421.505 1.611 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1539045332 SJHAJKJMRWEZQM-LJQANCHMSA-N 415.586 1.436 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1539216655 UZOHFXPYMRYRHQ-QGZVFWFLSA-N 419.551 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1539245184 ATNSQLMYMKQWMA-IBGZPJMESA-N 412.515 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1 1539295994 IZUGMEBBCSHMEM-MRXNPFEDSA-N 417.510 1.733 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1539350699 VUOHRRLWBNESDG-UHFFFAOYSA-N 417.535 1.723 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1Cc1ncn(C)n1 1539395516 CZMQHJGJKHMEFC-OAHLLOKOSA-N 413.457 1.820 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)Oc2ccccc2)CC1 1539446228 VPCURMLKBLGKAO-SFHVURJKSA-N 403.490 1.958 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccn(C)n2)CC1 1539476366 XEVHMHPLSJZJAH-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1539758825 ACBWJZOALUNVQR-SFHVURJKSA-N 424.505 1.179 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1CC1(O)CCS(=O)(=O)CC1 1540185211 NUXDDWRITUVBMJ-UHFFFAOYSA-N 420.535 1.923 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1540891513 VRCLFOYZMHRBPW-HOTGVXAUSA-N 401.515 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](N2CCCCC2)C1 1540906902 GFDKSXUYSYKUDY-SFHVURJKSA-N 407.584 1.896 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)F 1541800736 GGOLKPRFSRBNTO-NSHDSACASA-N 406.393 1.793 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)C1 1541988612 WKAXSYDEDZVQOJ-LAUBAEHRSA-N 416.526 1.840 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)CCO1 1542007858 DMDBLGSZCHBNIE-UHFFFAOYSA-N 422.493 1.606 30 10 HDEE CCc1cnc(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)s1 1546326199 FVICLZJPSJDYQC-LSDHHAIUSA-N 420.539 1.992 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1555671100 XYDHFAHHBUFZTG-BRSBDYLESA-N 407.515 1.792 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(n3ccc([N+](=O)[O-])n3)CC2)c1 1556472705 WBKGCCJFQKSKAN-UHFFFAOYSA-N 421.410 1.705 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)n[nH]2)c1C 1556665442 TZWWIRSUOZJAPT-CQSZACIVSA-N 418.498 1.691 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)cc1 1557656976 OJBOKOVOJFGZMX-IBGZPJMESA-N 413.499 1.627 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)OCC 1557935148 VTSXNUVCWINZNX-AWEZNQCLSA-N 413.883 1.601 30 10 HDEE C#CCCN1CCN(c2ncnc3c2ncn3C2CN(C(=O)OC(C)(C)C)C2)CC1 1559096250 FINYVMSDKPUBOZ-UHFFFAOYSA-N 411.510 1.763 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1561957233 VLJOCYAHTNWWJT-UHFFFAOYSA-N 405.520 1.089 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(Br)ccc2OCCOCC)C1 1561993627 OYVXFSGALCDEKK-UHFFFAOYSA-N 404.282 1.233 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCCN(C1CC1)S(=O)(=O)c1cccc(F)c1 1564480989 OQWKMZIHUREEJO-MRXNPFEDSA-N 409.483 1.413 30 10 HDEE C=CCOCCCNC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1565082763 YWANGAYTOBIQAD-KRWDZBQOSA-N 424.542 1.832 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C 1565700294 WHZUGWTWZCMUGK-UHFFFAOYSA-N 403.464 1.536 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1ccnc(O)c1 1574282839 JEEPKKTYBVSWHE-ZBRFXRBCSA-N 401.463 1.143 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Oc2cccc(F)c2)CC1 1585485016 IBZFBBYYPWPRQK-UHFFFAOYSA-N 417.462 1.934 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@]2(C)CCCOC2)CC1 1585675213 LARWEDWPHZCNNZ-WPFVPPSBSA-N 400.519 1.679 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cc(C)on3)CC2)c1 1587290085 SKYVWTAWBFRTOI-UHFFFAOYSA-N 401.488 1.738 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1587305656 VCOBUYSLJCVMPE-MRXNPFEDSA-N 421.519 1.910 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC(C)(C)C1 1588011659 HUJAFQORPNWOHU-UHFFFAOYSA-N 416.551 1.450 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1ccc(C)n(C)c1=O 1588237847 GGIPWLVQNCBUPP-UHFFFAOYSA-N 400.486 1.782 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588245681 NKWCWXSGOSMXFP-UHFFFAOYSA-N 422.533 1.948 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1)C1CC1 1595065001 GGIFXLMYWYKLDF-CYBMUJFWSA-N 400.508 1.703 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1595405604 TYLUHAMQFPAKDD-OAHLLOKOSA-N 411.553 1.803 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1 1606886936 WEZQGVQGMNHALX-MRXNPFEDSA-N 400.460 1.492 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1624069862 PRJGJGPCBNRFHX-GOSISDBHSA-N 411.510 1.501 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1629296679 JJQNHZBDFKGRSC-HNNXBMFYSA-N 417.466 1.945 30 10 HDEE C#CC[C@H](NC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1629613170 WKHJYOLYSRJJLR-GJZGRUSLSA-N 407.448 1.127 30 10 HDEE C=C(C)COCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1631477399 MLODRJVEOATIPH-PKOBYXMFSA-N 410.536 1.643 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)c(F)c2C)CC1 1632960872 OLIAXLMKXVFVBF-UHFFFAOYSA-N 407.389 1.378 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1633884880 QMTIKXMPPVCIOG-OAQYLSRUSA-N 418.494 1.130 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 1634016093 OZQAJFVOEWLDKU-UHFFFAOYSA-N 404.264 1.213 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CNc1ccc(S(N)(=O)=O)cc1F 1636305882 GHCMSSATCFWOOA-UHFFFAOYSA-N 411.455 1.575 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1642430365 LKNQWVGNIVDZFQ-MOPGFXCFSA-N 401.507 1.872 30 10 HDEE N#Cc1c(F)cc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1F 1644576337 GYPKTGNADUQGPV-UHFFFAOYSA-N 420.441 1.629 30 10 HDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)CCCOc2ccc(C#N)cc2OC)n1 1645206839 WQAHHIQJLNIRRS-GFCCVEGCSA-N 401.423 1.898 30 10 HDEE C#CC1(O)CN(C(=O)c2cn(-c3ccc(Br)cc3C(F)(F)F)nn2)C1 1646382088 SLLNYHLRTYAHJJ-UHFFFAOYSA-N 415.169 1.869 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)cc3C)C2)C1 1648358541 XQKOXKOOLXLAPK-CQSZACIVSA-N 405.292 1.816 30 10 HDEE COC(=O)CC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 1653210948 GIMAQBZTHSSXQQ-UHFFFAOYSA-N 407.492 1.355 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cn1C 1653573809 DKUPBSSTCFMFHW-UHFFFAOYSA-N 404.452 1.015 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2ccc(CC(C)C)cc2)c(=O)n1CCO 1656828564 SHXZFZVSJALWAM-HNNXBMFYSA-N 412.490 1.258 30 10 HDEE C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660310316 YESUFFOOTBJERM-MMPTUQATSA-N 412.855 1.445 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCC2(CS(C)(=O)=O)CC2)c1 1663080960 NJFXVUOUTYXUJH-UHFFFAOYSA-N 400.522 1.096 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(C(=O)OC)cc2Br)cn1 1664348465 AWVAWTQNTKMNKU-UHFFFAOYSA-N 412.265 1.544 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)c1 1664798508 JCTAYRLJNDQNGI-QGZVFWFLSA-N 401.488 1.657 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OCC(=O)OC)cc1)C(=O)OCC 1665498137 XJIJWKIXRPIHPX-AWEZNQCLSA-N 405.856 1.591 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)CCC1 1666306909 BXNLPWCHMGQBQU-UHFFFAOYSA-N 408.448 1.884 30 10 HDEE CCOC(=O)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 1679053063 GGGALXSCVBQZOR-UTUOFQBUSA-N 422.404 1.929 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1682155908 DOIXCFAHSFKQGP-BBWFWOEESA-N 402.561 1.222 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CCOC1 1682631667 VSBKZWWCCHLLCF-YOEHRIQHSA-N 415.450 1.689 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1683313453 XFIZZWNQHVXAIP-WMZOPIPTSA-N 402.495 1.552 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 1683457007 FWMXBPBSRNFCQQ-UHFFFAOYSA-N 404.517 1.854 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 1685266512 CHNIZDCHZBINLI-FQEVSTJZSA-N 400.498 1.710 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NCc3cn(CC(F)(F)F)c(=O)nc3O)C2)cc1 1685366318 XXWHFEIJWRCHRB-UHFFFAOYSA-N 423.351 1.356 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689937411 ZAZIDOUJTUPQHP-AWEZNQCLSA-N 421.548 1.306 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1689961195 OFZXXOBTUMBTGV-UHFFFAOYSA-N 407.478 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1689999744 HLDRMWBHHXVIMP-JXFKEZNVSA-N 421.567 1.292 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N1CCCC1 1690015489 OAGWFRSALUGKHI-ROUUACIJSA-N 406.490 1.732 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccnc(-n2cccn2)c1 1690107741 AFYPRFSJHNLLEV-GOSISDBHSA-N 407.478 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)c2ccccn2)CC1 1690122095 FUXZTJTUISXIFO-QGZVFWFLSA-N 407.522 1.357 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC 1690205987 DLEGYJQMXSRPSC-QFBILLFUSA-N 409.556 1.793 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690503400 AIFXIYYOCFRLMD-FQEVSTJZSA-N 417.535 1.948 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CCn1cc([C@H]2CCOC2)cn1 1692498974 BVFFRHMMCFSYDX-CVEARBPZSA-N 414.514 1.555 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccncc2Cl)CCOC1 1696098806 VYLDUJDJYDDOCL-DNVCBOLYSA-N 418.885 1.756 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCOC2)C1 1698203248 YKMJXFBAVVZMTG-NQIIRXRSSA-N 413.478 1.210 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705517157 POEDRLUFPNHWAM-HZPDHXFCSA-N 408.524 1.373 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566978 SYEVMZMFZPZUNQ-OALUTQOASA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C)n(C)c1=O 1705589577 SNGYKOLCEQIPIY-GOSISDBHSA-N 411.506 1.520 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1705598847 RPKKNIXMJFITSG-FQEVSTJZSA-N 412.582 1.661 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1c(CC)nn(C)c1CC 1705628659 MIIOEXUCIMBQRH-MRXNPFEDSA-N 400.527 1.775 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCOC2)CC1 1705634549 ARKKGLHVDVWBBY-RXVVDRJESA-N 403.527 1.112 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)SC)CC1 1705648243 TUCXCUHJBNAASI-UHFFFAOYSA-N 413.551 1.843 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705658446 PXRKCBOCQZURLV-SJLPKXTDSA-N 413.551 1.258 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCOC1 1705698952 ASOVRTVDIPVTSO-BDXSIMOUSA-N 424.567 1.634 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705830048 IMEIPJATGMJFCQ-RBUKOAKNSA-N 405.543 1.676 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1706072582 FMQYAOULZYTCAW-GOEBONIOSA-N 405.466 1.454 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCOCCS(C)(=O)=O 1707919687 JGYUONYOXFHRLZ-GOSISDBHSA-N 419.507 1.097 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1712285301 NWMPYOSKZWHUSI-OLMNPRSZSA-N 410.478 1.335 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCCC2)nc1 1722300596 FDAMGFKSWRAVBP-QGZVFWFLSA-N 407.522 1.902 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722312603 GRSOKHNTLOVURJ-UHFFFAOYSA-N 418.567 1.947 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1722356797 LPMGUOLYVIYGHH-HNNXBMFYSA-N 402.524 1.060 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722362167 MKWGEOWORPQWJD-IBGZPJMESA-N 420.560 1.498 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1722370344 NHRFAFLJIKCASL-ZWKOTPCHSA-N 419.551 1.018 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1oc(CCC)nc1C 1722419213 SNTSEHCHTIFHAC-UHFFFAOYSA-N 414.510 1.897 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCC[C@@H]1C 1722428426 WEDAFCRLDCTBIH-NTLWEQJWSA-N 406.527 1.639 30 10 HDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722615257 LMCQOEYGRPCHAI-KRWDZBQOSA-N 418.542 1.659 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1722636760 ABIPCINQHLUGLQ-UHFFFAOYSA-N 400.508 1.947 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)COCCO1 1722636826 BSOMYVUAHDEPPE-LJQANCHMSA-N 420.539 1.666 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722685013 JLPPXXIQSZKWBQ-HNNXBMFYSA-N 400.508 1.829 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(C)ccc21 1722690606 LSRNXMCYKKFNEZ-AWEZNQCLSA-N 418.523 1.193 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1722712353 QPWPHRRYPHIRPB-DLBZAZTESA-N 414.510 1.549 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1722820154 PSJXSLBADBLPNR-KRWDZBQOSA-N 405.462 1.882 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)CCOC1 1722863283 JCROOCRSRANHJD-XPGWFJOJSA-N 404.515 1.393 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740622036 SPUALZJVKMHHTC-IAGOWNOFSA-N 415.519 1.603 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1740626875 WSHHRQJGBCTEDE-QGZVFWFLSA-N 417.535 1.699 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNC(=O)c1ccccc1F 1740636933 IXXUGNMIXHCHND-UHFFFAOYSA-N 403.421 1.377 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)c(O)c1 1740644314 AXLXGBFXDIVRSX-PXNSSMCTSA-N 410.474 1.837 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1740669368 XLHDZDRIGMKWEC-UHFFFAOYSA-N 400.508 1.777 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1740673843 JGVZJWDARYJRNL-SFHVURJKSA-N 405.549 1.597 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCOCC1 1740729598 IIYUFBBSEASULV-DYESRHJHSA-N 400.527 1.334 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1740850534 LIDRZSBZWSOFLM-UHFFFAOYSA-N 417.558 1.854 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1740857117 DDBBGARTGJBHEE-QFBILLFUSA-N 412.556 1.514 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740864757 PVKMOOSCNVMHBY-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740875651 HMOSPXVXIGAQOC-XLSPSMHOSA-N 424.567 1.919 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740876277 PVPFSCSEKXEPFR-LSDHHAIUSA-N 416.569 1.160 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1740903631 FWJOCYAPONTSAR-LJQANCHMSA-N 400.575 1.788 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1740968138 CNAMCAGJZJNJFY-KRWDZBQOSA-N 424.549 1.989 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740995263 GMVCRTRSSGJPIS-INIZCTEOSA-N 408.572 1.640 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1741843935 CJHYKBWFPDRADU-QGZVFWFLSA-N 418.505 1.964 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1747648255 ASOWANIREHAVBG-ZBBYCGENSA-N 423.477 1.015 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1748302159 CKOXLDNEMVAVLE-SFHVURJKSA-N 413.478 1.605 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1748664019 BZNKIYSYYJPLJJ-KRWDZBQOSA-N 417.517 1.912 30 10 HDEE C#CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1748764255 IXEHHCUUOSXYSY-GHTZIAJQSA-N 414.510 1.446 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1CC1(O)CCOCC1 1748800604 ZMFLQAYXLTVOMY-UHFFFAOYSA-N 400.479 1.867 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cccc(N2CCOCC2)n1 1748902833 VESCXQMDXWMWDJ-UHFFFAOYSA-N 408.506 1.557 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1748906127 PBLAZFCKILOJLH-FUHWJXTLSA-N 424.615 1.858 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCOCC1 1748953027 CVLBRGHURRUNHK-UHFFFAOYSA-N 401.467 1.181 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H]1CCOC1 1749024369 ONFUDWSZUNPPOZ-MRXNPFEDSA-N 420.560 1.940 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1749424553 JHVUTOBJFZVVMY-AWEZNQCLSA-N 409.494 1.858 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1749426875 JFQRLRWKQBTIIK-OALUTQOASA-N 416.570 1.881 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1750075819 HVEWFOXZKAFWPN-YIOZNXECSA-N 413.478 1.926 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1750208351 CWZUBZVJRFMPIV-KBXCAEBGSA-N 419.486 1.064 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760157242 JCOMJYYDYPCJIX-UHFFFAOYSA-N 416.526 1.729 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCCO1 1760171282 JXJKTSWGSXMBKR-OAHLLOKOSA-N 401.467 1.661 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1760248993 SUBPHXFNBSAILA-NRFANRHFSA-N 419.595 1.840 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1760251413 AARACJQHSYHXAP-SFHVURJKSA-N 415.586 1.292 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCCn2cccn2)CC1 1760261329 OPWBZLYJRXHUBT-UHFFFAOYSA-N 419.533 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCC[C@H]2C)CC1 1760269206 BJIBYYBEILQDCJ-MJGOQNOKSA-N 414.554 1.232 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1760293887 HLWZEDUPSAGYBS-CBGDNZLLSA-N 400.527 1.190 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1761547434 DTBFGNPBGWCXDZ-KSFYIVLOSA-N 421.505 1.433 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCn1cncn1 1767965231 BNHDKXWZQPQTAA-UHFFFAOYSA-N 421.509 1.300 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1769386085 GIPWDGUVZRJZJA-SFHVURJKSA-N 424.461 1.851 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1769588251 WHAMWWSHPJKSAZ-XYPHTWIQSA-N 413.434 1.878 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1772887334 DSUYACLWAIETTJ-GOSISDBHSA-N 424.477 1.856 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 1848550449 HAUUHOSBGCEKMG-IBGZPJMESA-N 419.485 1.937 30 10 HDEE Cn1cc(I)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1851275511 FVMLZPKJPPXHNO-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE COc1cccc(-c2cc(CC(=O)N3CCN(c4nccc(C#N)n4)CC3)no2)c1 1851631972 OLFGRDHNJMVOCD-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE C=CCOc1cc(OCC=C)cc(C(=O)N2CC(S(=O)(=O)c3nncn3C)C2)c1 1853112231 FABHZLMKWZPYPM-UHFFFAOYSA-N 418.475 1.243 30 10 HDEE N#C[C@H]1CN(C(=O)CN(c2ccc(F)cc2F)S(=O)(=O)c2ccccc2)CCO1 1853402951 NVUZRGIJUYYUTE-HNNXBMFYSA-N 421.425 1.911 30 10 HDEE Cn1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c(C(F)F)n1 1853878489 PYJYIHWWRYKSMD-UHFFFAOYSA-N 401.373 1.397 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC[C@@H](Cn4nccn4)C3)CCC2=O)c1 1854722797 GONYCXYOZNXLHN-MOPGFXCFSA-N 406.490 1.941 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1854828214 QSJYQHLKQORIKC-WBVHZDCISA-N 416.547 1.752 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)nn1C(C)C 1854997538 BDFSJEREQFSHQT-WMZOPIPTSA-N 400.527 1.823 30 10 HDEE CN1Cc2ccccc2C[C@@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855702989 LGTQSHQEPBEZPO-LJQANCHMSA-N 424.482 1.276 30 10 HDEE Cn1nc2c(c1CN1CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C1(C)C)CCC2 1855818320 XXTDPBDAMYESLB-UHFFFAOYSA-N 405.502 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(C[C@@H]1C(=O)N1CCN(CCC#N)CC1=O)CC2(F)F 1856035708 ULTYPSJOKZRJOL-ACJLOTCBSA-N 412.437 1.606 30 10 HDEE CC(C)(C)N1C[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)CC1=O 1856363258 XQEVCCFKIVNAMD-KRWDZBQOSA-N 412.490 1.255 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)Cc3ccccc3F)C2)C1 1856391855 XJDOFJPXAOMOHR-OAHLLOKOSA-N 408.433 1.773 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856694789 LRLVFCMDZXJBKS-UZLBHIALSA-N 420.872 1.649 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043073 KAFGHVHXORNBLG-HZPDHXFCSA-N 401.504 1.701 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868599407 XXCMSNWNFXJEAR-PKOBYXMFSA-N 420.531 1.445 30 10 HDEE CCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869929715 KWIFWAMDEJUMRA-SFHVURJKSA-N 415.515 1.915 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)Cc2ccccc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002506 NJVZYFNWWJUYAM-QGZVFWFLSA-N 415.519 1.997 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc(NC(C)=O)cc2)cc1=O 1871004758 WALFOHNMAYXKBW-UHFFFAOYSA-N 424.501 1.763 30 10 HDEE CN(C(=O)c1cccn(Cc2ccccc2F)c1=O)C1CN(c2nccnc2C#N)C1 1890476294 PTAFACAMLJXWAM-UHFFFAOYSA-N 418.432 1.658 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(Cn3ccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1892114936 QIHRECIAVGUOKZ-PMACEKPBSA-N 424.530 1.702 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CCC(=O)N1CCN(Cc2ccccc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c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217484900 YECQROAZQANHFD-GJZGRUSLSA-N 419.331 1.845 30 10 HDEE NC(=NO)c1ccc(CC(=O)NC[C@@H]2CC2(Br)Br)cc1 2233037556 FNWHRDRRGFHYGC-JTQLQIEISA-N 405.090 1.946 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CCCO)Cc2ccccc2)n1 2243381965 ONKRHXMXRFXYII-UHFFFAOYSA-N 400.288 1.139 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243673940 CMPSDHOIQTVFCX-XYPYZODXSA-N 424.332 1.501 30 10 HDEE CON(CCNC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247858900 RBNBVQNIKYZBHQ-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCCS(C)(=O)=O)c2Cl)OC1(C)C 2267564236 GHGPXSOIMWGWRO-UHFFFAOYSA-N 407.750 1.865 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270535483 LBCDSCSYNDMOAF-QZTJIDSGSA-N 422.503 1.868 30 10 HDEE CCNC(=O)NCCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281943474 MVIYARRVEVTADN-UHFFFAOYSA-N 401.725 1.750 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2282027923 WWBFMNIBZYQIRH-WDEREUQCSA-N 400.331 1.138 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)N(C)C 2282304954 RHNJOFIJJXXLMN-VIFPVBQESA-N 422.765 1.456 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282311166 DTPFVAFDUMXLHB-NWDGAFQWSA-N 418.415 1.337 30 10 HDEE CN(CCCS(C)(=O)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339393 XWNLUFZVAQETMF-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CCOC2)c1B1OC(C)(C)C(C)(C)O1 2282418183 MSQQLRSWNUDJLO-ZDUSSCGKSA-N 401.359 1.979 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CCNC3)ccc2Cl)OC1(C)C 2282490831 LACYPBCPWULEBN-GFCCVEGCSA-N 400.737 1.527 30 10 HDEE C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502876 QVAQQVSZRVZEBG-JTQLQIEISA-N 402.709 1.134 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CN1 2282512675 VAGCQLCDQOKDRF-AAEUAGOBSA-N 400.737 1.668 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@H]1O 2282595470 URFBHNIBEIGWDH-GILQPQBKSA-N 400.246 1.217 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282833771 JXJNKKIZEFTZHX-STQMWFEESA-N 400.375 1.761 30 10 HDEE CSC1CC(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282835481 VHWLEHJAKKDDII-UHFFFAOYSA-N 401.363 1.139 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H]1CCNC1 2282836488 KRGXGVBQUKABKS-ZDUSSCGKSA-N 400.375 1.586 30 10 HDEE CO[C@@H]1C[C@@H]1CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842569 ACVBCKUPGUWUOG-ZIAGYGMSSA-N 401.359 1.844 30 10 HDEE CC(C)N1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855478 FIOQXOOYALQCDN-CQSZACIVSA-N 400.375 1.808 30 10 HDEE CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857390 HIKQHNYDIMXQCJ-UONOGXRCSA-N 401.359 1.971 30 10 HDEE CNC[C@@H](C)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282865957 BBUGJYGPBYUHGW-LLVKDONJSA-N 402.391 1.798 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CCS[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870586 VADDEOCUOYGRQV-CMPLNLGQSA-N 401.363 1.200 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(CCC(=O)O)C2)OC1(C)C 2284401982 FPBPSXRBEOXSQN-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CCCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284405428 KNWDPZVGVBYKHY-UHFFFAOYSA-N 403.331 1.841 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(O)(CC(=O)O)C3)sc2Cl)OC1(C)C 2284441222 XHHVWQGHPBOKBU-UHFFFAOYSA-N 401.677 1.362 30 10 HDEE NC(=O)C[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)O 2296552148 MIOXQAJKXLSRJO-CYBMUJFWSA-N 416.411 1.188 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2329045325 LAKCCIKCMUIOKW-AWEZNQCLSA-N 419.507 1.770 30 10 HDEE CCOCCS(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361590073 DXTNDQOKPDRHOV-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE CC(C)SC[C@@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2362509045 POSBRGHFZUHQJV-LLVKDONJSA-N 400.331 1.767 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C 2365201500 JDFXEYNEXVYVEM-BZUAXINKSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCCC2 2365202850 GNGVPAPKUSSRFD-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 2365207454 OJWOGBHNMIOEOG-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C12CC(NC(=O)OC(C)(C)C)(C1)[C@@H](C)O2 2365207591 ADKKTPSPGQTFIX-CWSVYJBUSA-N 400.541 1.616 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1(C)C 2367815476 GUUMQDGHZYEVGN-KUHUBIRLSA-N 400.541 1.306 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367833235 HSRGQMHFOZXJQD-ARFHVFGLSA-N 402.557 1.442 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@@H](B3OC(C)(C)C(C)(C)O3)C2)s1 2368344026 VRCMWVYWUHUOBT-SNVBAGLBSA-N 402.307 1.353 30 10 HDEE C=CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCO3 13795166 USTMOTXRGSSLJC-OUIWWDRTSA-N 423.516 1.859 30 10 HDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 103936530 SXHDIDPBQXVSOK-HSDQKXRGSA-N 404.448 1.742 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 111224626 FYHKWKBZMHQHGY-PZJWPPBQSA-N 423.517 1.154 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)cc1C#N 427124876 WZPNMWBNQFPAKL-UHFFFAOYSA-N 423.520 1.379 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C 447263129 HOEIEZUIQLJFEH-VIFPVBQESA-N 409.309 1.061 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ncc(-c2ccccc2)cn1 461342083 GXLDBOYIEGVGHR-OAHLLOKOSA-N 421.482 1.998 30 10 HDEE C[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464817759 YOGSJKGNLJDBNQ-IAGOWNOFSA-N 404.536 1.512 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(c3nccn(C)c3=O)CC2)cc1 466730018 XMEVKBQCFNTOFF-UHFFFAOYSA-N 424.505 1.248 30 10 HDEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc2c(cc1Br)OCCO2 471921896 KKDKEDKRHDQPQF-CQSZACIVSA-N 403.254 1.523 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4ncccc4C#N)CC3)CC2)o1 473355824 KAEKIIFGZHWHEA-UHFFFAOYSA-N 405.462 1.687 30 10 HDEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 479188845 QEHLRDRJDMNYOT-UHFFFAOYSA-N 405.520 1.844 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489055801 SYNRGGQHGVUIKP-UHFFFAOYSA-N 422.532 1.771 30 10 HDEE Cc1ccccc1CN1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 506926786 CZNWJTCWDGKVGG-UHFFFAOYSA-N 418.545 1.728 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 508908328 SKAYLDBLAQLFBM-INIZCTEOSA-N 415.498 1.822 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1c1cccnc1 510430355 XDNFQDYIEBTMSU-DYESRHJHSA-N 407.449 1.961 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)n1 513321829 NAMBSOHSZNJSNO-MRXNPFEDSA-N 411.315 1.347 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(Oc3ccc(F)cc3)nc2)C1=O 523379306 HAGBDOQBWUCENX-UHFFFAOYSA-N 412.377 1.606 30 10 HDEE C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2ncccc2C#N)CC1 525248208 DWWBWMGZKWQPPO-KRWDZBQOSA-N 421.501 1.594 30 10 HDEE C=CCN(C(=O)CN1CCc2cc(OC)c(OC)cc2C1)[C@@H]1CCS(=O)(=O)C1 532891304 IVALFSDJKSYOHW-QGZVFWFLSA-N 408.520 1.264 30 10 HDEE COc1cc(C#N)ccc1OCCN1CCC(CC(=O)N2CCN(C)CC2)CC1 533513484 AMISRCRPBFMBQT-UHFFFAOYSA-N 400.523 1.822 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542965465 YGLCXQOVZUUBDZ-UHFFFAOYSA-N 410.887 1.848 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cncc(I)c3)CC2)n1 544833837 UBZBIWLIKZGNBP-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)c1 550046872 OYTGLBSDVMGIPM-HTAPYJJXSA-N 406.490 1.960 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C[C@@]3(C)NC(=O)NC3=O)cc2C1=O 553447807 FWNCINOHZDOYAU-YEJXKQKISA-N 410.430 1.061 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 569050802 HOKNHXZQCQCTCN-LBPRGKRZSA-N 404.261 1.701 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2noc(C(C)(C)C)n2)CC1 569509789 AQPWULIRQWKLBZ-HNNXBMFYSA-N 417.514 1.555 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1cnc(C)nc1N 582084329 MWEJYPXIXMPFSW-UHFFFAOYSA-N 420.267 2.095 30 10 HDEE CCc1cc(=O)n2[nH]c(NS(=O)(=O)c3ccc(C#N)c(Br)c3)nc2n1 582748302 GLXIBVJMRUWHHZ-UHFFFAOYSA-N 423.252 1.415 30 10 HDEE N#Cc1nccnc1N1CCN(c2ccc3ncnc(O[C@H]4CCOC4)c3c2)CC1 585566518 VETFPUWDFKHMRZ-INIZCTEOSA-N 403.446 1.786 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 589840729 YGCMXLVCCNRQCA-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCCCc2nc(-c3cccs3)no2)C1=O 726043766 YIPCAGQSPHRZOF-UHFFFAOYSA-N 404.404 1.251 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCSCC(=O)OC)C1=O 729818829 KHRNTQZFRRRICC-AWEZNQCLSA-N 409.533 1.969 30 10 HDEE CCN1CCN(c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)cc2F)CC1 741340958 FMDLFDXJFAYTIV-NRFANRHFSA-N 402.470 1.933 30 10 HDEE NC(=NOCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(N2CCC(O)CC2)cc1 744445667 DYXKPSXOAINEST-UHFFFAOYSA-N 412.446 1.652 30 10 HDEE COc1ccc(CNC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1C#N 746723396 XKZWVXAABSBQBU-UHFFFAOYSA-N 423.521 1.758 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1cccc(C#N)c1 750302364 ZOEFKPOTVARSIK-LBPRGKRZSA-N 405.407 1.546 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(OC)c3c(c2)OCO3)c1=O 758067298 NTRGRBLMHPINKX-UHFFFAOYSA-N 422.462 1.153 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760401144 SPJZCBDFMUVJCV-KGLIPLIRSA-N 401.554 1.854 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 767872010 LJBYXJMMRLXRKZ-QWHCGFSZSA-N 403.529 1.664 30 10 HDEE CS(=O)(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(Cl)s1 770685436 OPVABXFTMNGAAD-JTQLQIEISA-N 409.942 1.166 30 10 HDEE CCN(CC)CC#C[C@@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 770803366 KFQIEJBQXMBAHU-OAHLLOKOSA-N 414.549 1.660 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 777677399 UHBTZJZDWZULGM-UHFFFAOYSA-N 424.452 1.945 30 10 HDEE CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 778611607 LTKZDGJZRXHQEP-CQSZACIVSA-N 421.295 1.985 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)COC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 781394795 QCVJWEBMVYRMGJ-UHFFFAOYSA-N 412.467 1.853 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC(=O)NC2(C#N)CCC2)cc1 784194333 PFTAOCOIMIVEFK-UHFFFAOYSA-N 423.491 1.202 30 10 HDEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 784560291 YEJXOLFVMLWPPB-UHFFFAOYSA-N 419.425 1.371 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(-c2ccco2)cc1F 787497303 AHEHJTBWQCADTM-ISLYRVAYSA-N 412.377 1.667 30 10 HDEE C[C@@H](OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)NC1(C#N)CCC1 787782027 JEEAWPFBIULMGW-VFNWGFHPSA-N 415.446 1.566 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])n1 788694722 VOEHXEPCATYUPL-UHFFFAOYSA-N 412.855 1.915 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)n1 789041095 XCTWTMKGSNMETP-YLJYHZDGSA-N 409.490 1.868 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn1ccccc1=O 790684879 JJIUPPFMRCNBET-QRWLVFNGSA-N 404.488 1.807 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)n1 794459473 TVCNRQTVTILFPG-PIIMJCKOSA-N 402.495 1.604 30 10 HDEE Cn1nccc1[C@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 799049497 PIZYNBVAFHZNTP-QGZVFWFLSA-N 415.519 1.993 30 10 HDEE Cc1cc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)on1 800847800 LLOGWAHBJPRXOE-HEHNFIMWSA-N 406.464 1.951 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 802500229 QNCHPSSSILTYCQ-IAGOWNOFSA-N 404.492 1.125 30 10 HDEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCN(Cc2ccccc2)C1=O 804161130 AQYGFBMTUGCWRP-LJQANCHMSA-N 408.433 1.573 30 10 HDEE C#CCC(CC#C)C(=O)NC[C@H](O)COc1ccc(I)cc1 806763703 TWXNYZZFSPWNTM-HNNXBMFYSA-N 411.239 1.810 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3cccnc3-n3ccnc3)CC2)c1C#N 811856347 ITBZLHYEYCZABH-UHFFFAOYSA-N 408.491 1.936 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)n1 856699351 FUMIKMRHZGILBC-OAQYLSRUSA-N 414.510 1.888 30 10 HDEE COc1cc(C=NNc2nc(S[C@H](C)C(=O)NC3CC3)n[nH]2)c([N+](=O)[O-])cc1O 1084610861 GFVZYBWGEOUADU-MRVPVSSYSA-N 421.439 1.632 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCCCC(=O)C2=O)cc1 1125202758 OSEQJOAUASFASV-FXBPSFAMSA-N 420.491 1.020 30 10 HDEE CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)C1 1129175769 PDJSRXBBLNMWDU-GJZGRUSLSA-N 416.544 1.456 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)c3coc(C#N)c3)CC2)cc1 1130659291 CPDQVPIVHTUTKZ-UHFFFAOYSA-N 418.475 1.042 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1131944873 LXSIYHJTYSMJRT-SFHVURJKSA-N 406.504 1.444 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(N3CCOCC3)CCCCC2)c1 1135641342 AHLWBVKBKMJSGH-UHFFFAOYSA-N 423.510 1.888 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588391 YUBULCBYHNWJSI-ROUUACIJSA-N 422.570 1.859 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)cn1 1138095135 LAVMUZQHLRSJKZ-HNNXBMFYSA-N 409.427 1.702 30 10 HDEE Cc1cc(CN2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)no1 1143132569 GDOVXOIVHKCKLZ-UHFFFAOYSA-N 420.466 1.768 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1147642781 XHOBHYQSTSRFPJ-OPAMFIHVSA-N 417.506 1.851 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1147910264 NCIHXRSXJBBSGQ-ZDUSSCGKSA-N 402.923 1.430 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)s1 1148820885 XIXGNMLKQRTJPN-USCZKRCMSA-N 418.606 1.951 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H](O)[C@H](O)c1nc3ccccc3s1)C2 1158216574 ZRSWGZRDRPDARN-LSDHHAIUSA-N 400.485 1.791 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1166518323 MFLGZJWKLJSILM-RKVPGOIHSA-N 405.520 1.938 30 10 HDEE CCON(CC)C(=O)CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1166898961 ZTZLNEPEXRBWBS-HNNXBMFYSA-N 424.523 1.056 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@@H]2C1 1179498416 AFABQQXBRYUPED-FPCVCCKLSA-N 405.476 1.114 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[C@H]3CCCS3(=O)=O)C2=O)cc1 1226112852 SJMQRQBNPBUKQZ-SJORKVTESA-N 404.492 1.320 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1)c1ccc(Cl)cc1F 1230511613 XHGOLWWFPSQXEZ-HNKHHVNMSA-N 400.859 1.607 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1286270527 LOCZFLOQZKXJLR-HNNXBMFYSA-N 417.535 1.520 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1286277864 ILFKSRILPXQXLJ-JKSUJKDBSA-N 419.551 1.906 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286384451 QWUJMFMWYJBDQY-KRWDZBQOSA-N 406.483 1.821 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1286407759 QPLPJPFJZBHAMT-IBGZPJMESA-N 417.517 1.654 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1286433577 XBMHDKZESABMGF-UHFFFAOYSA-N 407.540 1.331 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286466147 WRHTWOIKYKKPCP-LAUBAEHRSA-N 401.511 1.617 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1286509406 PVQDDMCSOLBSPY-MSOLQXFVSA-N 405.568 1.307 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286614652 VXULWIWIAOJHML-FQEVSTJZSA-N 407.515 1.190 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1286753823 INZQNUYWQNFCFC-OAQYLSRUSA-N 419.526 1.356 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccccc1OC)C1CC1 1286785818 JNZKQSDDTIZLNB-QGZVFWFLSA-N 424.505 1.709 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286810228 ORNRHBFBHRXIPV-HOTGVXAUSA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286837681 ZAXHWWJYQZDQFH-IBGZPJMESA-N 409.556 1.516 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1288529368 HZGAJXZJSMTYNK-IIBYNOLFSA-N 409.494 1.534 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1288551150 JCGIUUDEABFCEP-DOTOQJQBSA-N 412.494 1.855 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H](C)O1 1291279468 OSBCKRNRZIWPCO-HUUCEWRRSA-N 408.466 1.519 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2nccc2N)cc1 1291831371 COZYHICFVKOSMC-XLNRJJMWSA-N 404.496 1.697 30 10 HDEE CCS(=O)(=O)NCCCn1c(CC(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1297769761 WTUFDFYDSMRVRA-KRWDZBQOSA-N 400.524 1.638 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1298020852 MLSKIERACGZJHQ-GOSISDBHSA-N 424.519 1.644 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccn(-c2c(Cl)cc([N+](=O)[O-])cc2Cl)n1 1298423594 BWKYVHGEIHMOEN-LLVKDONJSA-N 400.178 1.807 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CCO1 1299134120 OFWKOLYJCWPBMW-SFHVURJKSA-N 422.445 1.418 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@H]2CCC(=O)N2)c1 1300333555 AJGNSCZWBFPLOK-GOSISDBHSA-N 408.506 1.811 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1300495371 GKBJJKMMUCEVLN-KRWDZBQOSA-N 406.552 1.840 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1300701581 WODVUDDRLISBDN-CVDCTZTESA-N 409.534 1.472 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1300766356 AJDVFWBVWUOMML-LJQANCHMSA-N 412.563 1.983 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301136816 FCXUQDMWCACPFP-AUUYWEPGSA-N 424.571 1.207 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1301221265 IZXOCMMCFXPQOE-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301492584 KORMGCIRJILCQC-CHWSQXEVSA-N 418.841 1.410 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)cc1F 1301498686 SGGMTEGWQYYMPL-OAHLLOKOSA-N 404.421 1.446 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1303426921 CMVUUMCESNDLDT-AWEZNQCLSA-N 406.483 1.627 30 10 HDEE CO[C@]12CCC[C@@]1(NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1303445830 JFPRHHITRVYIGY-BKTGTZMESA-N 407.492 1.306 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1303900293 OILBBHGZEUYMGJ-KRWDZBQOSA-N 413.503 1.507 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1304905353 XULVHNPFUAVCBH-CYBMUJFWSA-N 420.433 1.105 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)OC 1309443110 PDYJYZQBHJACPT-LBPRGKRZSA-N 421.855 1.158 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1F 1309496038 FTMTWZHUECRTGF-NEPJUHHUSA-N 405.373 1.729 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1312657439 WOCFZGOFUVZRCY-HXUWFJFHSA-N 408.458 1.966 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1313281560 GRWMLEMEQHORRG-QGZVFWFLSA-N 423.496 1.795 30 10 HDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 1315751195 CCPPWLOJIJWARX-QAPCUYQASA-N 410.478 1.605 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1316061258 JNAUSYIGGHDNJA-FQEVSTJZSA-N 401.467 1.617 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1355777156 UKSPIOLHIOSFKS-CYBMUJFWSA-N 400.884 1.220 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1356122640 CMVYLVRFEABCCV-UHFFFAOYSA-N 415.247 1.717 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1358895270 GKENXISZIWMWQZ-HYDGNGQDSA-N 413.547 1.785 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)C(C)C)CC1 1358918638 BNGWRQBANLYDJJ-UHFFFAOYSA-N 409.494 1.643 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)Nc1ccccc1 1358968215 CKUVGELJRITMRC-UHFFFAOYSA-N 404.474 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1csc([C@@H](C)OC)n1 1358968441 LVTCEKQYLXXLKH-CQSZACIVSA-N 400.508 1.701 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2oncc2C1 1359048269 KHKDKMFFSRFYDX-UHFFFAOYSA-N 409.475 1.843 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1359126381 NUEJTFSSHQNSHU-UHFFFAOYSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(OC)CC1 1359303849 CQKWIODGQSHBJF-NRFANRHFSA-N 415.542 1.837 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncnn2C(C)(C)C)C1 1359319245 VXEJRVFBEKDZAZ-MRXNPFEDSA-N 411.514 1.855 30 10 HDEE COC(=O)c1cnn(CC(=O)Oc2ccc(C#N)cc2I)c1 1436072551 CGGHQFKAFHIEKN-UHFFFAOYSA-N 411.155 1.752 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cc(=O)n2ccccc2n1 1437276151 DOCQFMBVTHOFRU-UHFFFAOYSA-N 401.430 1.475 30 10 HDEE Cn1ncc(Br)c1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1440740440 AFMRAONFRLXAJA-UHFFFAOYSA-N 405.256 1.882 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]34CCCC[C@@H]3OCC4)CC2)cc1 1441015416 XPISHNJGMZDZJP-AZUAARDMSA-N 403.504 1.740 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1453377144 BNFPYCXLFJIIMA-BXUZGUMPSA-N 406.382 1.380 30 10 HDEE Cn1cccc1C(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1453921596 MNZPXBOGYSKDIH-INIZCTEOSA-N 417.510 1.897 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CC1 1455195318 XUDWGXULRZFEGT-UHFFFAOYSA-N 401.282 1.087 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCc1cncc(C#N)c1 1456020036 OFYWGMFUVUXPRG-UHFFFAOYSA-N 415.519 1.422 30 10 HDEE C=CCN(C(=O)c1csc(I)n1)[C@H]1CCS(=O)(=O)C1 1456089096 XPHKZBFGHAUJQF-QMMMGPOBSA-N 412.274 1.563 30 10 HDEE N#CC1(CNC(=O)c2cccn3c(I)cnc23)CCOCC1 1457110798 PFQDXWCVZBMAFO-UHFFFAOYSA-N 410.215 1.989 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3csc(Cc4ccccc4F)n3)C2)c(=O)nc1O 1457198394 IQHGGQOUADLRHU-UHFFFAOYSA-N 411.418 1.704 30 10 HDEE C#CCSCC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1459888792 ROONMYQYSLRCCW-UHFFFAOYSA-N 405.339 1.518 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(I)c3)C[C@H]1CS(=O)(=O)C2 1462988945 LMWONBMEFCHTDQ-FZMZJTMJSA-N 416.240 1.302 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1464021023 YGNPCWQESHYGKM-ZDUSSCGKSA-N 407.312 1.993 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)n(C)c1 1467880120 CWVMWRWAZNCKGC-UHFFFAOYSA-N 413.463 1.167 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1472050231 MRBWHGNISBFYCC-MRXNPFEDSA-N 421.519 1.680 30 10 HDEE C=C(C)CONC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1472592812 VPJFDVZHRMFISZ-UHFFFAOYSA-N 407.448 1.199 30 10 HDEE N#Cc1cn(C2CN(c3cc(C(F)(F)F)nc(-c4cccnc4)n3)C2)c(=O)nc1O 1472833077 DJTKZCKCAKBONE-UHFFFAOYSA-N 415.335 1.753 30 10 HDEE COC(=O)c1ccc(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)nc1 1473589480 WYOBUMYMNCNCHG-UHFFFAOYSA-N 404.430 1.996 30 10 HDEE C#CC1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CC1 1475427238 SEPCULZIKHSFPP-MOPGFXCFSA-N 406.504 1.697 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CN(CC(C)C)CCO1 1492908608 MBZSACADZRWTRM-HXUWFJFHSA-N 424.553 1.537 30 10 HDEE COC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1504579971 GIKMYQKAYFXMME-HOTGVXAUSA-N 417.466 1.352 30 10 HDEE COC[C@H](F)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1504605228 OTKKKVCAGDGHAB-UKRRQHHQSA-N 400.462 1.517 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1507651155 DVNVKZHZQXCWJC-SFHVURJKSA-N 423.492 1.576 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1507652661 IIVGGONJUYCTOV-QZTJIDSGSA-N 417.579 1.373 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507702019 DVBCIEBCECUNHZ-GOSISDBHSA-N 418.586 1.604 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](F)COC)CC1 1507724970 ZCONMFLEXHVBDD-SFHVURJKSA-N 401.486 1.617 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC(N)=O 1507751731 MKPAHLKHFCYIDS-LBPRGKRZSA-N 404.496 1.072 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507800713 OWRULALREVOYPK-SQNIBIBYSA-N 412.494 1.273 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCN1CCN(C(C)=O)CC1 1508000229 UECKYCLJXUYKTM-UHFFFAOYSA-N 407.522 1.815 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1508091524 VCWKLBJVLDVSAI-UHFFFAOYSA-N 422.533 1.871 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1508112533 AVMVEIVXWBUNHU-HXUWFJFHSA-N 410.522 1.717 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)NC(=O)OC(C)(C)C 1508405700 HVQAIARKDWEQDR-ZIAGYGMSSA-N 407.519 1.925 30 10 HDEE CSCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1520417146 FNJDGWMIAYOUPH-CVEARBPZSA-N 403.556 1.549 30 10 HDEE COC(=O)C[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1527791805 BSKHJXUHFBGRIZ-UKRRQHHQSA-N 405.838 1.355 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1531949402 LUUQIECNEPVWAB-LJQANCHMSA-N 402.539 1.747 30 10 HDEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1534335182 CPTYSNWCWVEJCP-UHFFFAOYSA-N 410.459 1.509 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)[C@@]2(C#N)CCCOC2)CC1 1536906321 VNGXSADXKAODRR-JOCHJYFZSA-N 420.554 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539237289 BYHGIVWXQPRSTB-JOCHJYFZSA-N 422.489 1.542 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cccs1 1539330903 DCPKQHMMTRIYFN-NRFANRHFSA-N 411.531 1.833 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1539369972 QQQUDYALUDRLLO-GOSISDBHSA-N 417.535 1.427 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1539407800 PQAFXBYCTQYTOV-UHFFFAOYSA-N 405.462 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCCCCC2)CC1 1539430966 PZAIPUKBXPLITR-FQEVSTJZSA-N 418.586 1.633 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539751355 LOCBYRQCGPZAOY-UWJYYQICSA-N 416.526 1.860 30 10 HDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539802840 AAMBJPOWSJINIC-CVEARBPZSA-N 419.869 1.494 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](C)[C@@H](F)C1 1540871340 JIXNTSFUCACWKC-JKIFEVAISA-N 401.442 1.887 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CCO1 1541073860 FBUHXRQHICXLJS-AZUAARDMSA-N 424.505 1.585 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)C1 1541988958 CRWMDNFURJWUSU-UZLBHIALSA-N 414.514 1.476 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)CN(C3CC3)C2=O)n1 1543006978 XRELFHFKAFBDCS-QVKFZJNVSA-N 410.526 1.889 30 10 HDEE CC(C)(C)S(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543678211 HKMYHZXOZVVKAQ-CYBMUJFWSA-N 411.911 1.894 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccc3c(c2)COB3O)nn(-c2ccc(F)cc2)c1N 1543679272 MMPWCXXNNRATGU-UHFFFAOYSA-N 419.225 1.046 30 10 HDEE C#CCN(C(=O)c1nscc1I)[C@@H]1CCS(=O)(=O)C1 1545062080 BNWZSTSSGPOVKS-MRVPVSSYSA-N 410.258 1.010 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCCC1 1548170712 BHOXETDOXQZMNO-UHFFFAOYSA-N 424.553 1.894 30 10 HDEE COc1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CC2)cc(OC)c1OC 1554740392 NPRSOVRGGFQXGU-IBGZPJMESA-N 417.441 1.938 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1555474497 QPLVKDVGNMTBSP-UHFFFAOYSA-N 412.494 1.857 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1555700345 OUWNQTUFGVBWPN-LJQANCHMSA-N 422.493 1.740 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2cc(Br)ccc2Cl)CC1 1556503990 GNUCMGYEAFMHRE-UHFFFAOYSA-N 412.715 1.539 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@]1(O)CCCOC1 1557327604 DLNMOHFQVFKCJO-OXJNMPFZSA-N 423.535 1.188 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CCCN1C(=O)OC(C)(C)C 1558701690 COJXHHOSLAAONX-NJNPRVFISA-N 405.539 1.837 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)c1 1558709740 HFWMDYISZQGLED-INIZCTEOSA-N 415.471 1.732 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@H](O)[C@@H](F)C2)cc1[N+](=O)[O-] 1558744528 JAORUZLWWHBGCR-GOEBONIOSA-N 417.397 1.925 30 10 HDEE N#Cc1cc(NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)nc(C2CC2)n1 1559070145 UHDUHTBANCNCKS-UHFFFAOYSA-N 413.507 1.185 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2nc(CN3CCN(C(=O)CC#N)CC3)[nH]c2c1 1559846061 CQICYAPRRDWEJN-UHFFFAOYSA-N 418.523 1.151 30 10 HDEE COC(=O)c1ccc2c(c1)OCCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1560215479 AGOMZCXVAIHYAI-UHFFFAOYSA-N 404.422 1.967 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nn1 1560683067 NYDUSVWUTUCZJQ-UHFFFAOYSA-N 401.496 1.237 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 1568692980 JFCFKKZXUQWCKV-SJORKVTESA-N 419.323 1.424 30 10 HDEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N(C)C 1585476584 KHHHHIQMGBPWAM-UHFFFAOYSA-N 408.476 1.423 30 10 HDEE N#Cc1c(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)nc2n1CCOC2 1586253955 GRJFBRZUPJEKLG-UHFFFAOYSA-N 415.475 1.758 30 10 HDEE CCOC(=O)[C@@]1(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCCOC1 1587302977 NANRCOKRNLGOQZ-HRAATJIYSA-N 403.454 2.000 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1587857397 YVGHRDODQGPZBM-CEXWTWQISA-N 417.554 1.953 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1OC 1587909504 MKAPISRCHLRFGA-GJZGRUSLSA-N 421.523 1.434 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](c2cccs2)N2CCOCC2)CC1 1588836642 NARQSLYWNXVLSF-SFHVURJKSA-N 414.579 1.731 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccc(C)cc2)CC1 1588864920 LWJCDIPAKJUNDE-UHFFFAOYSA-N 422.533 1.543 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1589530870 YWGJRBJUKUZQHH-BZSNNMDCSA-N 418.542 1.615 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1594236776 IOLIMFJMBSDQBA-OGWOLHLISA-N 410.540 1.123 30 10 HDEE C=CCn1c(CC)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1595411505 UWOUCGUSQFIRSG-MCIONIFRSA-N 411.528 1.153 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1595930162 CGDZUOATTGAJNB-IRXDYDNUSA-N 422.526 1.860 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC)cc1 1597216726 JXHHIGNACJTSRY-MRXNPFEDSA-N 412.533 1.317 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCn2ncc(I)c2C1 1597345008 WNORYYLYEODRHD-LBPRGKRZSA-N 402.236 1.301 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1613016421 WLGJCESRHUDPGI-VDMFXUGISA-N 413.507 1.741 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1618794239 CLQGTTCIJHQUIQ-APWZRJJASA-N 423.521 1.110 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1620169899 KZFVAIXEAWUSGG-MRXNPFEDSA-N 420.495 1.114 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CC3)n1CC(=O)NCC(F)(F)F)C2 1620349702 RDJUCZZCAJENKK-UHFFFAOYSA-N 421.383 1.369 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCCOCC1 1620385368 XWFMSOHRMSPLRA-NCJSADBTSA-N 416.482 1.273 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCCOCC1 1620385369 XWFMSOHRMSPLRA-QBHGPPCGSA-N 416.482 1.273 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1620505587 FTMWEAYPOVWLHU-DFBGVHRSSA-N 400.504 1.762 30 10 HDEE COc1cc(C#N)ccc1OCCN1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1620584047 FUVOKTDYWDUGTM-KRWDZBQOSA-N 404.492 1.541 30 10 HDEE COCCNc1ccc(S(C)(=O)=O)cc1NC(=O)c1cccc(C#CCO)c1 1622969329 WRAMDJONRZEYLG-UHFFFAOYSA-N 402.472 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cccc(C#N)c2Br)(C(N)=O)C1 1625180111 HIYSXLDLSZTAJL-UHFFFAOYSA-N 423.267 1.525 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)cc1Br 1628252286 ZWYKUWDHBJGJJB-NSHDSACASA-N 419.235 1.917 30 10 HDEE COC(=O)[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1629240173 GHDWVOAXSXXGAI-LTWWHTJUSA-N 407.467 1.174 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1630915946 BVILREZQWUDSKE-AWEZNQCLSA-N 406.398 1.105 30 10 HDEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@](C)(C(F)F)O1 1633341909 OKEGIYXXBAFALI-SOZUMNATSA-N 415.462 1.775 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)[C@H]1CCCO1 1634469022 CIKAVCJBXMRVQA-XZKMEQPCSA-N 401.511 1.588 30 10 HDEE CC[C@]1(C)NC(=O)N(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1=O 1635573939 SPBCFHWXSLFMGG-FQEVSTJZSA-N 401.272 1.660 30 10 HDEE CC(C)n1cc(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c(O)nc1=O 1636586005 FJFNTQGSZWBOLU-UHFFFAOYSA-N 424.505 1.865 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1637301157 HSYZADVGNOJJIC-UHFFFAOYSA-N 405.520 1.575 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1637390426 UOQFLKWUPNZUNO-HUUCEWRRSA-N 413.312 1.946 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(-c2ccccn2)cs1 1640222100 QVIMAARQEBPKGJ-UHFFFAOYSA-N 413.484 1.560 30 10 HDEE C#CCOCCSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1640598978 VIMVYUBDPMFABW-UHFFFAOYSA-N 409.533 1.819 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)c1 1642022783 GRRAAGZUSCEXML-TZMCWYRMSA-N 404.410 1.780 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)c1 1643877881 KOFKZELHNOCIFB-IBGZPJMESA-N 404.444 1.018 30 10 HDEE N#CCc1ccc(NC(=O)Cn2cc(I)c(O)nc2=O)cc1 1643932056 MUQISLBHINFTFS-UHFFFAOYSA-N 410.171 1.258 30 10 HDEE CN(C[C@@H](O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1644813025 BITKEBKQQWUQBN-INIZCTEOSA-N 413.478 1.087 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@@H]3C)c2)C1 1646382065 RMXVPAHYUIPHOQ-HOCLYGCPSA-N 406.504 1.372 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccnc(N(C)C)c3C2)s1 1648838213 SDVAQVYLCBDCIC-UHFFFAOYSA-N 420.560 1.801 30 10 HDEE C#C[C@H]1CCCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1654037224 ZHJHKAZMBFHNIT-MOPGFXCFSA-N 403.548 1.562 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccccc2NC(=O)C(F)(F)F)C1=O 1655136866 RHAIAEXYFNISML-LBPRGKRZSA-N 405.398 1.595 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(O)(COCCO)CC1 1655634535 UPCUXWMIXNMTGL-MRXNPFEDSA-N 407.536 1.855 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3C#N)C2)ccn1 1655960281 DZIVRWFMUMHFTA-AWEZNQCLSA-N 418.450 1.684 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@@H](O)CC2(C#N)CC2)CC1 1657559190 KUVBFUABNXGIDQ-HNNXBMFYSA-N 413.927 1.710 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC(=O)N1CCN(c2ccccc2)CC1 1661760370 DMUSMVPNYHRSSK-UHFFFAOYSA-N 416.478 1.633 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1662998033 IPUOJRLSAPQHBQ-LAJNKCICSA-N 409.327 1.515 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(OCCN2CCNC2=O)cc1C)C1CCOCC1 1669261851 YFGQZILTDGWFIG-SFHVURJKSA-N 400.479 1.949 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2nc(C3CCOCC3)n[nH]2)CC1 1675089938 NDSMAPOIPNJWMW-UHFFFAOYSA-N 413.457 1.741 30 10 HDEE COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC#CCO)cc1 1675465133 MPWOAERBMXZUEA-GOSISDBHSA-N 403.479 1.994 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1689861544 WUJUCXZVDIFJNT-PFUSGODGSA-N 405.549 1.639 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1689897954 MZQLKJXOJJRQNM-UHFFFAOYSA-N 418.505 1.654 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)s1)[C@@H]1CCS(=O)(=O)C1 1689991116 WCDPQJQQTDTJGR-HZPDHXFCSA-N 420.560 1.827 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1689991139 WUCJBAXOJVOCPF-MRXNPFEDSA-N 407.540 1.089 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1689994043 PUFBOAUEVYFUCT-KRWDZBQOSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nccs1 1690013704 ZJKVZUKZHNNDMX-UHFFFAOYSA-N 415.482 1.770 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(O)CCN(C(C)C)CC1 1690103230 BECDPRHPQBYTNU-SFHVURJKSA-N 405.543 1.103 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](COC)C1 1690220312 WIEPQICBLGXASJ-KBPBESRZSA-N 419.320 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](C(N)=O)C1 1690237135 VWHHVHSZRKTADF-VYDXJSESSA-N 418.542 1.489 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1690361138 ICBNQHJUXSBOIC-KRWDZBQOSA-N 413.526 1.973 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690591423 NIKLDVPUSAWADC-OAHLLOKOSA-N 403.512 1.195 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1695438927 VVWHAJNUSYABNB-HOTGVXAUSA-N 410.434 1.457 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1705510685 VZFPOSOBHMYWLH-RDJZCZTQSA-N 419.555 1.767 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1705579745 RANHCMLIAAVFLO-UHFFFAOYSA-N 416.489 1.031 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705660174 OPJFBNZNJAASJG-KRWDZBQOSA-N 414.535 1.543 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705896887 BBVAPNVMPTXHAV-CRAIPNDOSA-N 415.542 1.813 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705897355 LFVAOXVSLMPRQT-OAHLLOKOSA-N 416.530 1.498 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2cc[nH]n2)C1 1705918417 JDAUCZNUBWYQTH-INIZCTEOSA-N 408.466 1.275 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1709488510 CHRWZRLVLVMRES-SGOHWPKCSA-N 415.498 1.380 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1722296644 SWZDKNFWZPIGSW-UKRRQHHQSA-N 402.476 1.415 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722369165 ZGVVGCCMICPPJF-ZACQAIPSSA-N 410.540 1.080 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cc(C)cn1 1722378745 QREYXWFZQLIPCQ-UHFFFAOYSA-N 402.458 1.994 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1cnn(C)c1 1722417538 KTFZPYTWEUAOST-UHFFFAOYSA-N 409.469 1.977 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722557726 ZRFYNWKCLVKWFB-ZIAGYGMSSA-N 403.936 1.443 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCS(=O)CC1 1722689961 CACQUFUEXRTHHE-CQSZACIVSA-N 421.498 1.428 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCCOC 1722699702 XLTMQRDAJOCGCI-QGZVFWFLSA-N 401.467 1.566 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](CCOC)C1 1722700380 GWSQKMOXTWMBGN-HNNXBMFYSA-N 404.540 1.799 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1722842024 HOVSFFQUFABESM-GOSISDBHSA-N 410.478 1.073 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1723085529 AOGMTOZKLHMTLY-JOCHJYFZSA-N 421.505 1.448 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1723772742 APNKPPABERXJRE-HMWBCQRISA-N 406.450 1.605 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc([C@@H](C)O)cc2)n1 1726135794 CIQIFSPQDDUMAH-YLJYHZDGSA-N 421.505 1.970 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1726636878 BJYROVGVCMDKOE-KRWDZBQOSA-N 405.506 1.746 30 10 HDEE CCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1727758611 GTTZSPXDAHZJMR-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCc2nc(C)no2)CCOC1 1728778131 GHUDNPMXMVNIPY-FQEVSTJZSA-N 415.498 1.994 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1730829360 DMPIAHWYEHHAGV-FOIQADDNSA-N 404.515 1.610 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@H]2CO)CCO1 1731187004 IIPQVUWYRZWLSM-RCCFBDPRSA-N 404.515 1.095 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1740547054 NQSFJCSRGAVDJJ-HNNXBMFYSA-N 417.477 1.332 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740616559 CNNIJQBJYNIYPS-JSGCOSHPSA-N 408.553 1.627 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1740641548 BWHZZQMBXMULEB-GOSISDBHSA-N 415.501 1.504 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1740647591 WKKLENONAPZZQT-QHCPKHFHSA-N 423.517 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC=CCO1 1740681084 BFJKNDKRUCKGBE-LJQANCHMSA-N 420.477 1.352 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCc2cnn(C)n2)CC1 1740696688 BURRERVSOSVZQA-UHFFFAOYSA-N 422.512 1.525 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740837994 CECOVNCYCCRFQY-HOTGVXAUSA-N 402.499 1.563 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1CC(=O)N1CCOCC1 1740917878 AFLANZYUHUPDHA-UHFFFAOYSA-N 419.489 1.787 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCN(CC)CC2)C1 1740980813 NAFKGRNNEKTRMU-WOJBJXKFSA-N 418.586 1.591 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1741199063 LCIVONPJQZNCPU-AEFFLSMTSA-N 413.526 1.996 30 10 HDEE CN(C)c1ccc(CCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1747570115 VNCICNSDWKSWRD-SFHVURJKSA-N 404.478 1.773 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1747884226 ALDDBDINAHUQEL-VLGSPTGOSA-N 419.436 1.901 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1748677123 CTXLOEYDPSAJBD-OAHLLOKOSA-N 407.515 1.794 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC2CC2)c1 1748690541 UPIJZPYYXXWTGP-UHFFFAOYSA-N 406.490 1.980 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748818115 VTEKPCIRHDKSID-STQMWFEESA-N 408.446 1.435 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749037125 BDNRXMNYJVQBKA-GOEBONIOSA-N 404.540 1.189 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)cc(F)cc2C1 1749650233 OFXRVTKZRZTJQV-UHFFFAOYSA-N 418.448 1.559 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1749650438 XHVLPAGQSZCLGL-OAHLLOKOSA-N 406.531 1.502 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1 1749671132 YVHFAFRESSGSSW-AWEZNQCLSA-N 421.548 1.107 30 10 HDEE COCCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1750037586 CGDCQJRHRIWJTA-PKOBYXMFSA-N 413.478 1.932 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760137703 WDKWSJANXPTEIO-JKSUJKDBSA-N 402.499 1.748 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760151135 YMIFSEIOJXWDEY-INIZCTEOSA-N 424.505 1.932 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760181583 XVXQIUJQXYGBKQ-JKSUJKDBSA-N 422.507 1.270 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1nnnn1CC1CC1 1760204691 ZIFWQURPALFLOB-UHFFFAOYSA-N 416.489 1.395 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1760240510 TVOXVFIUFKVKRU-ZCNNSNEGSA-N 419.570 1.818 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)[C@H]1CC 1760326053 VHFJNBSTSWXVCW-GGPKGHCWSA-N 410.522 1.960 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760348532 AWBDWMLASOHNQJ-INIZCTEOSA-N 404.515 1.199 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1760464238 CLXKKZPUOYPPSY-OAHLLOKOSA-N 413.544 1.050 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1760495587 RTZUHBFOXWSVCI-MRXNPFEDSA-N 422.511 1.134 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1ccon1 1760519858 RTLHBDQFUHABCO-UHFFFAOYSA-N 410.434 1.643 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1760522976 INQHAOIVHUUQLF-NRFANRHFSA-N 410.453 1.812 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1761910704 DNMIFAZTBQUZMM-HZPDHXFCSA-N 418.523 1.499 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cs1 1762284058 MQMDKQFAXRIGLV-DAYGRLMNSA-N 406.487 1.616 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1766428616 IEUKHPCEEQIJAO-LJQANCHMSA-N 414.510 1.532 30 10 HDEE CN(C)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCOCC1 1766900300 CZRJFVGCWXLTPJ-GOSISDBHSA-N 423.521 1.239 30 10 HDEE CNC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1769319301 CUVBRPHFNYDPTB-ZIAGYGMSSA-N 402.430 1.422 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1769566115 BOMQFCWWTPWBSW-AWEZNQCLSA-N 403.508 1.865 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771117327 ULNJVHFJNVRPQP-UHFFFAOYSA-N 401.430 1.998 30 10 HDEE COCCOC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1771257283 XADQLWIXIKJSJW-OAHLLOKOSA-N 401.467 1.927 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cccc(C)c1)C(C)C)[C@H]1CCN(C)C1=O 1848936277 SNDISDRDYHMEFN-ZWKOTPCHSA-N 407.536 1.543 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)CC1 1849658744 WUHJSEDZOANXLD-UHFFFAOYSA-N 402.520 1.863 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC#Cc2cccnc2)CC1 1850361217 MZRBNHHKELTCKR-UHFFFAOYSA-N 402.476 1.255 30 10 HDEE Cn1c(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)cc(=O)n(C)c1=O 1850450197 YLFWEXBDGAOVQZ-UHFFFAOYSA-N 418.457 1.359 30 10 HDEE C=CCC(=O)O[C@H]1C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 1852332175 FOXUCOBPCZQOKW-JSGCOSHPSA-N 413.448 1.128 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)c2ccccc21 1852775278 UDIZQQPARVHFBM-INIZCTEOSA-N 420.535 1.614 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1853170783 LUEPSNQXWHZLDK-AWEZNQCLSA-N 411.462 1.377 30 10 HDEE Cc1cc(C)n(C[C@@H](C)C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)n1 1853888340 PSNUVAVGUPCSKI-OAHLLOKOSA-N 407.474 1.561 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc3ccccn3n2)C1=O 1854263895 ZZBCWWNPBDEGHG-OALUTQOASA-N 409.490 1.574 30 10 HDEE Cc1nn(C)c(C)c1CCN(C)C[C@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1854867984 NWKRRCLEYPPJJL-QGZVFWFLSA-N 408.506 1.857 30 10 HDEE CCCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855844009 DGFDSCOQRHQVDV-QGZVFWFLSA-N 418.519 1.182 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3c2CCCC3)CCN1CCOc1ccc(C#N)cc1 1855956018 JXDHJHPNGAHWIC-INIZCTEOSA-N 407.474 1.843 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccn(Cc3ccccn3)c2=O)CCN1[C@H](C)CCC#N 1856262143 HMXZVRAYCIWOOS-SJORKVTESA-N 407.474 1.657 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC[C@H]3Cn3ccnn3)C2=O)c1 1856777256 ROTWXBIDHXMJKP-YJBOKZPZSA-N 412.881 1.903 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC)c2)cc1 1859009453 PRDKJGGPEUWPLR-UHFFFAOYSA-N 416.455 1.716 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2 1862630266 PSPQUAURRIUMJI-KRWDZBQOSA-N 412.354 1.894 30 10 HDEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870451458 LJTMGHYSRAUDFZ-UHFFFAOYSA-N 421.494 1.640 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CO[C@H]2C1 1880978894 UUVVJIMEVLCZMZ-KFWWJZLASA-N 402.403 1.623 30 10 HDEE COc1cccc(NC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889452008 SHIYEYOUYYVKSC-UHFFFAOYSA-N 400.523 1.959 30 10 HDEE CN(C)CCN1C[C@@H](C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)CC1=O 1889829470 GYSPODNPGOIZRO-IBGZPJMESA-N 412.538 1.038 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cs1 1889902740 MQAQCDYCOSODOR-UHFFFAOYSA-N 409.464 1.496 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC(=NO)C2)C1 1917321792 CMBFFHQDFRAXEV-UHFFFAOYSA-N 419.503 1.955 30 10 HDEE Cc1ncc(S(=O)(=O)N2CC(N(C)C(=O)OCc3ccccc3)C2)cc1C#N 2054407339 FBJHYQDPHMAPII-UHFFFAOYSA-N 400.460 1.903 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2118168639 TUVATIDBYKFHKH-ZWKOTPCHSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)N3CCC(C#N)CC3)C2)C1 2182736482 VHCCEONFHRXOKA-UHFFFAOYSA-N 418.541 1.185 30 10 HDEE CO[C@@H]1CC[C@H]1CS(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2239423272 QPKXXTBIWZKYTD-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE O=S(=O)(Nc1ccc(Cl)c(C#CCO)n1)N1CC(OCc2ccccc2)C1 2241158949 DEPCJXAVZPPSKS-UHFFFAOYSA-N 407.879 1.637 30 10 HDEE C=C(CN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243684957 KDEXWMWOMZYRQV-CYBMUJFWSA-N 411.308 1.401 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248416434 SASKSSOJOSLCGP-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2255615064 IYYSRFKWPUAXAN-QGZVFWFLSA-N 421.310 1.559 30 10 HDEE CC(C)CN(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258181387 MZJKGKYJEGQZKP-INIZCTEOSA-N 411.480 1.567 30 10 HDEE C#CCOCCONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282313889 QZCWCIJHUFNMPY-UHFFFAOYSA-N 421.733 1.560 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCN[C@@H]4C[C@@H]43)cc2Cl)OC1(C)C 2282317597 TXOYYPPCKGVCDT-YUSALJHKSA-N 418.777 1.729 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCOC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282322842 RIIBBDHEJMNYIU-VXGBXAGGSA-N 405.322 1.761 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1C 2282328792 CSNZAQASEFZYKD-TZMCWYRMSA-N 400.375 1.808 30 10 HDEE CN1CCCC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282330779 FAXPONXGLWSHDD-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCCC[C@@H]3CO)c2)OC1(C)C 2282333271 MIUQHONLIJNKRX-CQSZACIVSA-N 401.359 1.973 30 10 HDEE CC1(C)CC[C@H](N)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338241 MANYIWPZDASAEO-ZDUSSCGKSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3COCCCO3)s2)OC1(C)C 2282346413 VKVWUBSKJMQSCH-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE CC[C@H](C)[C@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282413684 ILEJXXGEXWUXGJ-WCQYABFASA-N 404.363 1.269 30 10 HDEE C[C@@H]1CNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282492171 QDNSVRKZSIZJSX-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CN([C@H]1CCC[C@@H]1O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499164 NDPWISMXYBOAHR-KBPBESRZSA-N 401.359 1.722 30 10 HDEE C[C@@H]1C[C@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503125 VFNXZKVHRTYDQS-VXGBXAGGSA-N 402.347 1.117 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H](CCO)C2)OC1(C)C 2282505576 GEXQEZSHNNJRFT-CYBMUJFWSA-N 401.359 1.581 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282513011 XEBYIMSJTXGUDW-VWLOTQADSA-N 421.777 1.686 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCNC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282835103 PKCXVOIIPOUOGP-VXGBXAGGSA-N 404.338 1.334 30 10 HDEE CO[C@@H]1C[C@H]1CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842568 ACVBCKUPGUWUOG-UONOGXRCSA-N 401.359 1.844 30 10 HDEE CCOCC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282845076 MUFNJKKJKCJYOJ-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@]2(=O)CC[C@@H](CN)C2)OC1(C)C 2282847973 HKQXUXRLAWFXAY-FTJNGKRUSA-N 420.387 1.183 30 10 HDEE COC(=O)CN(C(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849105 WQZGKXMIRZEFBJ-UHFFFAOYSA-N 403.331 1.619 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282850784 SXVDDINTAYWJAO-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(=O)O)[C@H](C)F 2284399204 HMKYZWXXNMVRBR-UFBFGSQYSA-N 407.294 1.445 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccco1 2296592336 OCVDXPMLTXNSPI-INIZCTEOSA-N 402.359 1.618 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCC(=O)O)C(=O)[C@@]12C 2297591291 IQMXQTINOPSJMU-FQEVSTJZSA-N 401.371 1.243 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]2CCN1C2 2342893704 NMBLXTVYCGTYEK-JKSUJKDBSA-N 416.503 1.065 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2365198856 JHDCDRSBESQUAU-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367786583 IDHRLDWJUAHJNA-LSDHHAIUSA-N 413.565 1.877 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cn1 59830143 SWJRMZFPBYYHJI-YAXRCOADSA-N 418.512 1.316 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(COc2ccccc2C#N)o1 111017623 KYYYIEQOOPEFCA-INIZCTEOSA-N 410.430 1.197 30 10 HDEE C#CCN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@H]1CCS(=O)(=O)C1 111192161 KAWQOBGGZHKOFD-IBGZPJMESA-N 406.523 1.876 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc21 238931324 VCKDKVWWGYDNSK-LBPRGKRZSA-N 415.431 1.025 30 10 HDEE COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 433623707 WJCCQHIRPHAYAR-OPAMFIHVSA-N 407.426 1.700 30 10 HDEE N#Cc1ccc(C2(C(=O)NCc3ccc(C(=O)N4CCNC(=O)C4)cc3)CC2)cc1 436070506 ZNUAZBJTPFFZBK-UHFFFAOYSA-N 402.454 1.478 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2CN(CC)C(C)=O)CC1 437916627 PSLSWMBCLKNGKY-UHFFFAOYSA-N 401.511 1.507 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@@H](C)Cc1ccc(O)cc1 440312595 INOXAXVERANCRI-HNNXBMFYSA-N 418.457 2.181 30 10 HDEE C[C@H]1OCC[C@H]1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 442806472 BWRQVYQXRNUSCG-SJKOYZFVSA-N 407.471 1.495 30 10 HDEE CC(C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 471386799 XFQFWIIFTAMKSS-QRWLVFNGSA-N 424.505 1.663 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 481750842 ZLTUYZSOWOZQJJ-MSOLQXFVSA-N 411.462 1.725 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 484920303 QWUGXCOUIJIUQD-AUUYWEPGSA-N 415.471 1.531 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)cc1C#N 489692138 QTRKLWITDUJZGJ-FXAWDEMLSA-N 400.504 1.423 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1 503036387 XGYPFQYLJVZJOJ-HXUWFJFHSA-N 412.450 1.584 30 10 HDEE N#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C1CC1 505923151 QHNMCDFONQEGSC-MRXNPFEDSA-N 405.476 1.277 30 10 HDEE C=CCCCN(C)c1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C 508453829 IWPJPZMEGXPYLT-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)CCCCN1C(=O)c2ccccc2C1=O 509501195 RWBVEUANNOWTPY-UHFFFAOYSA-N 412.490 1.527 30 10 HDEE Cc1cnccc1N1CCC(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CC1 530465363 UEXYVFLLAFPUIO-UHFFFAOYSA-N 407.522 1.869 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)nc1 531630362 IQBCRFUSEDYPGS-UHFFFAOYSA-N 416.506 1.443 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2ccc(C#N)cc2)CC1 532546665 KPRBXDATACYUQF-UHFFFAOYSA-N 413.503 1.227 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCc3ccccc32)C(=O)O)c(F)c1 547878449 MAGVRUGDXWWCID-INIZCTEOSA-N 403.435 1.882 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCCO2)CC1 549609228 XYVSNROKCRKKAB-QGZVFWFLSA-N 413.526 1.267 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3Cc4ccccc4O3)n2CC(=C)C)CC1 549636965 BDZLIXJHSCCFKJ-FQEVSTJZSA-N 422.533 1.955 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@H]2CCCO2)cc1 549884166 HGXJUMXMSFJPDB-XMSQKQJNSA-N 422.489 1.624 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3o2)cnc2c1c(=O)n(C)c(=O)n2C 555363767 QBHCPTOCVWAYRJ-LBPRGKRZSA-N 403.398 1.826 30 10 HDEE Cc1ccn(-c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)n1 585483030 VUOCTBUSNCJTQR-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)no1 588290298 AGBBFVAUBZXPOW-NHYWBVRUSA-N 405.436 1.669 30 10 HDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 609515496 BVSFRBDDRMYFJP-INIZCTEOSA-N 400.460 1.899 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)c1 614359602 KVCZFOZFOQXNPJ-OAHLLOKOSA-N 420.516 1.851 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cccc(C#N)c3)ncnc1-2 729458692 GQCAFONHTMQWHE-UHFFFAOYSA-N 400.240 1.213 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)OCC(F)(F)F)cc1 732067001 XSVXIJYFJHUFKO-GFCCVEGCSA-N 416.381 1.687 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O 732465125 CNXAXAOAXKXYEJ-VLUKHXRESA-N 417.853 1.271 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 733202568 SRJCPLGQFWFWOP-HNNXBMFYSA-N 422.470 1.559 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 734271368 IJESCXAAUMGEGM-UHFFFAOYSA-N 423.558 1.263 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)NCc2ccc(C#N)cc2)c1 746555000 SEUJEZBCILJFMU-UHFFFAOYSA-N 405.407 1.079 30 10 HDEE C[C@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749213551 WSGUDTOMCLWINB-GTMGWDBPSA-N 405.484 1.301 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 750132691 CEINBANUNYCGBJ-YWMAMYRUSA-N 402.838 1.478 30 10 HDEE CC(C)CN(C(=O)COC(=O)Cc1cccc(OCC#N)c1)[C@@H]1CCS(=O)(=O)C1 760624707 GAJDPGQMLQQIHM-QGZVFWFLSA-N 422.503 1.346 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)[C@@H](C#N)c3nc(O)c4ccccc4n3)CC2)n1 760912067 UEXFILBYSVTETF-QGZVFWFLSA-N 413.441 1.601 30 10 HDEE C[C@@H](NC(=O)CON=C(N)c1ccc(COc2ccccc2F)cc1)C(=O)N(C)C 762723933 CCVARIIPUOCDMD-CQSZACIVSA-N 416.453 1.635 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)Cc1ccccc1C#N 774029775 NIXJTXZEPRXKOX-HNNXBMFYSA-N 411.480 1.434 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774264030 SDCZNWLQKNQLLD-MSOLQXFVSA-N 403.504 1.010 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1 780205258 KXPIOCOZESXWBN-MRXNPFEDSA-N 424.381 1.770 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)CC2)cc1 780382556 ATZLJHOKRKYLFS-UHFFFAOYSA-N 420.494 1.883 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4[nH]3)CC2)cc1 792699613 HBNBYOGAABAKIM-UXHICEINSA-N 406.442 1.899 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C[C@H]2C[C@H]21 796698712 HXOJZZZMUGNRNI-OAGGEKHMSA-N 405.476 1.902 30 10 HDEE CN(C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C)S(=O)(=O)N1CCO[C@@H](C#N)C1 800088240 UTCFGPDUCJEHKD-QXULXFAOSA-N 414.528 1.318 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 805786916 WXGDFQWSTARFRA-GOSISDBHSA-N 416.503 1.466 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC(=O)[C@H]1CCCN1CC(F)(F)F 816129687 IIXYZXUZNDOFKE-LLVKDONJSA-N 406.342 1.298 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 918480029 UIPGUTXKHDKXQT-INIZCTEOSA-N 401.444 1.792 30 10 HDEE C[C@H](C#N)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1129308321 CMKCMBUASSIAQN-LLVKDONJSA-N 416.297 1.454 30 10 HDEE CC1=NNC(=O)[C@@H]1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1136653818 IUXZGWZPHRWFSV-YCTJDYOESA-N 403.483 1.401 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(S(C)(=O)=O)CC1 1137252325 NJMQOAZABFGQAC-HNNXBMFYSA-N 401.529 1.999 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC 1139432178 UFLYMWPFTBEBOQ-UPJWGTAASA-N 419.906 1.595 30 10 HDEE Cn1ncc2c1CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1142165493 CVSNWTBULHGPPI-UHFFFAOYSA-N 401.492 1.214 30 10 HDEE COC1(OC)CC2(CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C(C)C)C1 1143901775 FQDWPSBWEBSNHU-GOSISDBHSA-N 421.519 1.473 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)s1 1144262052 LBBUDVUHTGMVIR-LBPRGKRZSA-N 402.538 1.991 30 10 HDEE C[C@H](CC(=O)N[C@@H]1Cc2ccccc2N(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1150079249 MGSPGLMZDDNSCD-GDBMZVCRSA-N 412.515 1.681 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 1155316381 GMAGUMKDGYIIMS-XLNGHYISSA-N 405.520 1.513 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156669849 LCJOJUIRVZJNRT-ZTENYAIWSA-N 411.524 1.419 30 10 HDEE N#Cc1cn(CC(=O)Nc2nc3cc(Br)c(F)cc3[nH]2)c(=O)nc1O 1159011457 GBRODTKTTVXDKN-UHFFFAOYSA-N 407.159 1.237 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2CCNC3=O)s1 1161756583 RUMOTIASABZAEL-UHFFFAOYSA-N 405.501 1.680 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1CC#N 1162121382 KHUSBLLXAMPAGF-UHFFFAOYSA-N 402.432 1.711 30 10 HDEE CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC=CC1 1163849719 MQXUDQNYQHVODJ-MAUKXSAKSA-N 405.520 1.695 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(CO)CCc2ccccc21 1164472811 QKIHQIGCTXEXHE-YCRPNKLZSA-N 413.499 1.218 30 10 HDEE N#Cc1cncc(CNC(=O)CN2C(=O)COc3cc(Br)ccc32)c1 1178374174 XQZVZTPMBPIBQK-UHFFFAOYSA-N 401.220 1.758 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)cc1 1184117878 OTGCBVVKXPVIFF-NHCUHLMSSA-N 408.502 1.648 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(C(=O)OC)s2)CC1 1212079844 HRSPOGAATXJQEF-ZDUSSCGKSA-N 400.526 1.383 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1268953707 WZDPHQXHRPAZNT-BJLQDIEVSA-N 415.538 1.349 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 1272006611 HTYJBCPVMNCCOZ-JLSDUUJJSA-N 404.463 1.914 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCOCC1 1280096051 JWUHPXQMJNMZKX-VQIMIIECSA-N 408.495 1.771 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N1CCOCC1 1286436593 OLLZTGOGEVTQTA-UHFFFAOYSA-N 419.432 1.865 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1286466587 ZSBMRBWLPYEABY-YRISNDGFSA-N 401.511 1.520 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2[C@@H]2C[C@H]2CF)n1 1286471957 UBICEBZVJSHUEG-XYJFISCASA-N 402.474 1.795 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)[C@@H](C)CCC)CC1 1286485448 MCOBOMKRWYHVEK-ZWKOTPCHSA-N 402.543 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nccs2)CC1 1286492129 COTRXMWBURLFNW-MRXNPFEDSA-N 414.535 1.447 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1288080513 SSRGMRSLNMVQBB-UWJYYQICSA-N 416.526 1.884 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(C(=O)Nc4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1289207706 VCKDRNJQVNGUFJ-UWJYYQICSA-N 409.467 1.949 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1291574377 FADMIMUQYMUSDQ-MRXNPFEDSA-N 409.851 1.520 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCS(=O)(=O)c2ccccc2)c1 1292357569 DSXCFEUGAPYCFH-UHFFFAOYSA-N 424.475 1.717 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC3(CC2)CC(=O)N3)C1 1292406737 UXKXLBJXGGVBBC-UHFFFAOYSA-N 403.280 1.638 30 10 HDEE CN(C)C1CCN(CCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1294375948 ICSCZANQGHDUAI-UHFFFAOYSA-N 406.571 1.779 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 1300393025 RLCQKNDVVXMAQA-MOPGFXCFSA-N 409.421 1.309 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[S@](=O)C(C)(C)C 1300473037 NCYGJCBTITZARQ-MHZLTWQESA-N 407.565 1.886 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(-n2cccn2)cc1 1300532178 PZQDTJHSUKTNMY-FQEVSTJZSA-N 413.485 1.730 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCn2ccnc2C1 1300553395 HBALMXVDVSJZDI-GOSISDBHSA-N 405.506 1.436 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN2CCCO)CC1 1300696010 QZYYGMQVGATLCZ-HXUWFJFHSA-N 423.565 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2=CCCOC2)CC1 1300727381 ZBFYSMSXVNNFJX-UHFFFAOYSA-N 420.517 1.576 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1300754001 FHZWXVOKOGUABX-HKUYNNGSSA-N 414.579 1.807 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCO1 1300849293 NFOZZQMWEUMBGU-CHWSQXEVSA-N 419.345 1.704 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301577241 GJFWGFILGWDXQZ-WBVHZDCISA-N 420.535 1.762 30 10 HDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1302625497 DHONAWQURDQCAY-GOSISDBHSA-N 422.530 1.755 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1302836480 KTOKLUFYBLLTNV-ZIAGYGMSSA-N 415.918 1.512 30 10 HDEE CC(C)CSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303251078 JGEIYIMYPSLNFJ-IRXDYDNUSA-N 417.583 1.795 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1)C1CCOCC1 1312866507 VECYYPXFAPKWMY-NRFANRHFSA-N 412.534 1.612 30 10 HDEE C=CCn1cc(CNC(=O)N(C)CCC2CCN(C3CCN(C)CC3)CC2)nn1 1312898351 MLNVRDITRKJRNU-UHFFFAOYSA-N 403.575 1.802 30 10 HDEE CCOCc1nnc(N2CCC[C@@H]2C(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1314371005 NATYYJNFJZWPNO-AMGRQBIBSA-N 402.499 1.966 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCS(C)(=O)=O 1314741188 KMLAMUFVXKYAMA-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1COCCO1 1316186419 ASXQOWBBKWRPJV-UWVAXJGDSA-N 407.515 1.938 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3cc(C#N)ccc3Cl)c2)NC(=O)NC1=O 1324106117 HHSCYWZCPZEHQN-GOSISDBHSA-N 418.862 1.745 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)cc(OC)c1OC 1358415262 QVQCNZUHNONKPP-WOPDTQHZSA-N 415.368 1.708 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1358945357 DBFVNRGDATWRBJ-LJQANCHMSA-N 419.489 1.914 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C[S@](C)=O)cc1 1358975934 JTDCTNGEXSXGSB-LJAQVGFWSA-N 406.515 1.678 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CC(=O)NC(C)C)CC1 1359038386 UQIFLZVMANQKJV-UHFFFAOYSA-N 424.549 1.754 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCOCC1 1359110004 XBLVHUHWXFJAJU-UHFFFAOYSA-N 424.509 1.865 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCS(=O)(=O)C1 1359282525 FJUALYFUIDZLRH-GOSISDBHSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](COC)C1 1359301808 LQGYIXDHYNCOBG-AWEZNQCLSA-N 405.449 1.922 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1360562990 HIGMBTMECXLPBI-PKOBYXMFSA-N 424.553 1.715 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CCCO1 1360843022 AVHUPPLIWJTQLT-VXKWHMMOSA-N 424.505 2.000 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2ccnc(N3CCOCC3)n2)ccc1OC 1435133434 HGECPGRNLNPWCQ-MRXNPFEDSA-N 411.462 1.933 30 10 HDEE N#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)c1ccccn1 1437239576 DEYLWLIEVJKYCR-UHFFFAOYSA-N 420.878 1.926 30 10 HDEE Cn1cc(C(=O)NCc2ccnc(C#N)c2)c(CN2C(=O)c3ccccc3C2=O)n1 1448872798 BEZMDLOXKAXUKW-UHFFFAOYSA-N 400.398 1.413 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1450322364 DFHWVUJFVUFKQR-YOEHRIQHSA-N 419.503 1.213 30 10 HDEE CCOc1ccccc1[C@@H](CC(=O)N1CCC(C#N)(C(=O)OC)CC1)NC(C)=O 1460025059 AAISGEOAKGGKOC-QGZVFWFLSA-N 401.463 1.958 30 10 HDEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 1461708689 CIJSVCOWKAYWMC-KRWDZBQOSA-N 406.504 1.638 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1464377273 GEOCYEBGQNUHJC-QZTJIDSGSA-N 412.508 1.271 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(-c2c[nH]c3nccc-3c2)ccn1 1464922958 HCJUGFXGXUHVRJ-DYTRJAOYSA-N 402.414 1.833 30 10 HDEE C#CC[C@@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1468874663 BOZUIOVTRLWGTC-CQSZACIVSA-N 420.409 1.445 30 10 HDEE CN(C)[C@H]1C[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1469557199 FTZIJLRJGAKEAI-IYBDPMFKSA-N 406.552 1.742 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)OC)cc1 1471088824 MPPRRZVSZQIIBQ-PBHICJAKSA-N 410.492 1.239 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccncc1Br 1471705735 GWMWYQSRCALFRB-SNVBAGLBSA-N 423.292 1.760 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2ncc(C#N)cc2[N+](=O)[O-])CC1 1472698471 SHNZZPGKCPJGKU-UHFFFAOYSA-N 407.374 1.654 30 10 HDEE C[C@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1478603798 LILFKIVPHUFNRD-LJISPDSOSA-N 403.487 1.625 30 10 HDEE CCCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1500642401 QHGKQIRWPVNHNR-OAHLLOKOSA-N 418.523 1.815 30 10 HDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)CC1 1503767780 MFWZFARCCVBTMK-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1504597739 KRRJRAVAMNJREL-DLBZAZTESA-N 413.457 1.357 30 10 HDEE COCCOCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1505051374 PQSHSHPOOPIYOT-KRWDZBQOSA-N 405.886 1.914 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1507517119 ORVMWFUXJJJRGH-OLZOCXBDSA-N 406.512 1.261 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1507691214 ANBXCSDAOMCSJW-OAHLLOKOSA-N 420.514 1.134 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC=C 1507769354 CQZFBQAVWLWFOB-HXUWFJFHSA-N 412.519 1.564 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1507829563 CNWIHJQLCFSIAS-AWEZNQCLSA-N 402.528 1.682 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1508006523 GRGGKBWESSQLQC-GOEBONIOSA-N 403.508 1.899 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccccc1OC 1508087713 PLTQIDAEWMJPPX-DLBZAZTESA-N 424.505 1.882 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)N1CCCC1 1508097921 MJEJZFYRJKKTRZ-UHFFFAOYSA-N 412.498 1.557 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508160722 HZEKZKLEPUBMIR-MAUKXSAKSA-N 412.581 1.716 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1509948644 BKGWTLMMMNXWRG-HOTGVXAUSA-N 417.539 1.816 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1510111519 HMALLMUEQBVJDY-RHSMWYFYSA-N 419.507 1.101 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)CCO1 1521138101 YHGAWVCGHCOZTE-RHSMWYFYSA-N 414.441 1.427 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCc1ncn(C)n1 1530259602 KXFSORUOJHCCQH-UHFFFAOYSA-N 422.283 1.976 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCC2=O)cn1 1531354485 LOFFMEODWPSVAR-MRXNPFEDSA-N 404.434 1.313 30 10 HDEE CN(C)c1ccc([S@@](C)(=O)=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1531659746 PVYHXTQRARDYLU-HHHXNRCGSA-N 420.516 1.475 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(C(=O)OCC)cn2)c1 1535260110 YAULAYFXWZYYFN-UHFFFAOYSA-N 421.453 1.745 30 10 HDEE N#C[C@@]12CN(C(=O)c3cnc(Br)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1538539556 JQCHVHYWRXECEA-ZANVPECISA-N 404.673 1.508 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H]1CC 1539125399 LUHFNWSJUJCWEX-IKGGRYGDSA-N 409.556 1.649 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1539242404 UDXATZUNTHFYHW-HSZRJFAPSA-N 415.501 1.475 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)nc1 1539651064 YLGXCPHRABWJFT-CQSZACIVSA-N 408.528 1.743 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1539733720 MLCAJVWMRVOKRU-VKJFTORMSA-N 400.545 1.764 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1540036438 NCYMTPJNKCIBNW-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 1540905103 SKSAAVHUYBZPHX-INIZCTEOSA-N 405.524 1.337 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)CCO1 1541071729 AIAXZPZFSRKHHW-LJQANCHMSA-N 406.446 1.799 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)NC2CCCCC2)c1 1545750743 NVLFFBOCQSUVKK-UHFFFAOYSA-N 410.471 1.485 30 10 HDEE CCN(CC)CC[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1556402540 UIBHHHRHJWZHJK-IOANDJKRSA-N 422.570 1.982 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1557143784 DMJGDRKAIQKHNN-GJZGRUSLSA-N 422.503 1.644 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 1557240251 FHZFLHAWVUWALW-CLMBFONXSA-N 420.388 1.475 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@]3(OCCO)CCOC3)C2)C1 1557430588 JMVPLLJMZLXGNE-HESSTHLMSA-N 423.510 1.057 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1561583713 VMJKJVKVUVYUIA-SJORKVTESA-N 402.538 1.729 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CCOCC1 1563556341 MALMWHAQDZPXPP-UHFFFAOYSA-N 403.479 1.534 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(O)(c2scnc2Br)CC1 1564847118 GXXOHSFQCSGASD-UHFFFAOYSA-N 415.357 1.854 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCC(=O)OC(C)(C)C)s1 1566415327 FNPMTPPBSODZMZ-UHFFFAOYSA-N 402.538 1.945 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3cc(Cl)nnc3C2)s1 1570705663 WCFJZYCHAUDAMV-UHFFFAOYSA-N 412.924 1.783 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCCC2)C1 1584140837 HCOBBSSUEXMQNP-KRWDZBQOSA-N 404.536 1.446 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)ccc1F 1584714720 XEYHCDIVVGUGSW-UHFFFAOYSA-N 420.401 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)[C@@H](C)CS(C)(=O)=O)s1 1585973776 PXRFCTAVNBFYMF-LBPRGKRZSA-N 420.578 1.179 30 10 HDEE C#CCSCCNC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1586534751 PDRLCFLQGOJOES-UHFFFAOYSA-N 404.513 1.967 30 10 HDEE C#CCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893729 HOCMIBPSIKYMQQ-OAQYLSRUSA-N 401.511 1.543 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588034078 AWCPFZBNGYNYBP-INIZCTEOSA-N 408.911 1.946 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1588054941 QGPMNAZUIKHNHV-QGZVFWFLSA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059370 MYIHCXYJXJIHDZ-MOPGFXCFSA-N 421.611 1.835 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cn2ccc(C)cc2n1 1588574638 OTDKHUWFFRFMDD-UHFFFAOYSA-N 409.494 1.507 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2ccco2)CC1 1588800268 BXADDGFLBOCNGJ-UHFFFAOYSA-N 405.462 1.118 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1589059523 GTMGOWCXULBLFS-ZIAGYGMSSA-N 400.512 1.066 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1594855816 CZRNHCWVDXQLCO-AWEZNQCLSA-N 404.540 1.833 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnnn1C 1595238895 AJMXIYGSUXPZEU-SFHVURJKSA-N 406.494 1.641 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1595602268 IOKNPGQUMGPAFF-GOSISDBHSA-N 413.526 1.853 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1597491356 WVABTTANMFYGHZ-INIZCTEOSA-N 408.458 1.217 30 10 HDEE CN(CCc1ccccc1)C[C@@H]1OC[C@H](NS(=O)(=O)c2cccc(C#N)c2)[C@@H]1O 1615259068 BKIQHWVOHFPJNM-ACRUOGEOSA-N 415.515 1.139 30 10 HDEE CC(C)(C)OC(=O)CC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1616345423 ACYWZQMODHYHBK-WUKNDPDISA-N 407.467 1.158 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)nc1 1616968596 ABDMDCXZGGYUCH-UHFFFAOYSA-N 410.453 1.078 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@@H]1CCOC1 1617907641 HBWBOQNMCSIFFE-MOPGFXCFSA-N 424.505 1.933 30 10 HDEE C=CCOC[C@H](NC(=O)CC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)OC 1617952028 ZZHPMFNEPBVMNT-CABCVRRESA-N 414.499 1.999 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@@](C#N)(c2ccccn2)C1 1620484337 TZOPZUJDLZCZFF-QRWLVFNGSA-N 413.503 1.613 30 10 HDEE COC(=O)c1ccc2c(c1)OCCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)C2 1620659372 QFTGUAXOHYJHDT-LJQANCHMSA-N 414.506 1.360 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)N=[S@](C)(=O)c2cccc(Br)c2)CC1 1622372684 UBNLOFAMRVHNFF-JOCHJYFZSA-N 421.338 1.611 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1627265788 RXYOBFODBFPUQF-OHTQGHCMSA-N 406.483 1.879 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 1630163927 INPOLUMDNOVBOU-INIZCTEOSA-N 409.508 1.981 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#CCN(C)C)cc1 1635386744 TZXYSFNEVINAON-LJQANCHMSA-N 405.520 1.114 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(F)c3ccccc23)CC1 1635807049 SERSKQNVXHOEQP-OAHLLOKOSA-N 418.494 1.835 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1637389481 HQLXYEQPURVAFY-KRWDZBQOSA-N 405.495 1.578 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1637696468 FLRFEUNIZIGJAZ-BXUZGUMPSA-N 416.293 1.540 30 10 HDEE C#CCN(CC(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1)C(=O)OC(C)(C)C 1638882821 RLLRKTIVYKPULS-INIZCTEOSA-N 409.508 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1639590934 FPMQOCBZTBPGFT-INIZCTEOSA-N 419.478 1.838 30 10 HDEE C#C[C@H](CO)NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1641574182 HJRAVLSSTYNHNC-CYBMUJFWSA-N 412.261 1.740 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)CC[C@H]21 1648308078 JIMFONNQCCXGET-AXVVYFOYSA-N 416.547 1.588 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)cc1 1654738143 QUMWFZUPTIVMGJ-UHFFFAOYSA-N 412.475 1.268 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OC 1656973421 DRCIYDUEKKTXCD-ZDUSSCGKSA-N 418.899 1.884 30 10 HDEE N#C[C@@H]1C(CN(CCC(F)(F)F)C[C@H](O)CO)=CC(=O)n2c1nc1ccccc12 1657732385 DEJNEFFYOPJXBI-UONOGXRCSA-N 408.380 1.831 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCCc2c(C#N)cccc21 1659288217 KPBKYMZYLMWVJO-AWEZNQCLSA-N 410.499 1.936 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)ccc21 1667229239 BLTXXJSIMNPHSX-GOSISDBHSA-N 410.499 1.604 30 10 HDEE C=CCn1cc(CNC(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)nn1 1671314911 ZICVCSIENFMQMQ-UHFFFAOYSA-N 400.418 1.904 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC(O)(c2scnc2Br)CC1 1676929878 FNOBLUNHRCLVJP-UHFFFAOYSA-N 401.330 1.464 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 1681302054 UPTVRZDQGBQMKL-KRWDZBQOSA-N 411.462 1.728 30 10 HDEE C=CCN1CCC(NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1684043381 WDMXMBVVSCKBDW-QGZVFWFLSA-N 408.543 1.659 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(O)CCC3(CC2)OCCO3)C1 1686054725 CHXIMIHSKOXPNS-GJZGRUSLSA-N 424.498 1.093 30 10 HDEE N#CC1(CNC(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCCC1 1686945549 XKSDMOKOHSEQJD-UHFFFAOYSA-N 401.486 1.967 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689901096 BGAIABQRNNGYFB-KRWDZBQOSA-N 404.540 1.567 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C(C)(C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1689980926 ZQTDGIIQIJEEJI-GOSISDBHSA-N 402.520 1.489 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c(c1)CCO2 1690045341 JQXVGEONZHZABU-LJQANCHMSA-N 403.486 1.870 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCOC(C)(C)C 1690101069 NHARIJWBRLGEES-UHFFFAOYSA-N 403.483 1.907 30 10 HDEE C=C(Cl)Cn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1690358692 IIXADEIFDQAEHQ-LJQANCHMSA-N 413.950 1.840 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1690506466 ORUVNFNOWKTVMS-JXFKEZNVSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](COC)C1 1690665904 TTZDQXBYICGPHC-OAHLLOKOSA-N 413.478 1.491 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1705477575 PVRABXATNYUXJM-CHWSQXEVSA-N 405.480 1.123 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1705491280 AKZILDHZZUMANM-HZPDHXFCSA-N 418.542 1.987 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1705505334 JGXUSQIDHNAJEK-GVDBMIGSSA-N 417.554 1.937 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1705535352 JXYONUPBCNSLFH-UHFFFAOYSA-N 412.513 1.680 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1705559473 BCNNOPZOHAIXMB-HUUCEWRRSA-N 401.492 1.931 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705565775 JZYYITBLKCISEP-TVFCKZIOSA-N 424.567 1.470 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1705567721 ZUXXIKHWJFMRGT-INIZCTEOSA-N 411.487 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F 1705574055 TUQOGJXTNPUELQ-GJZGRUSLSA-N 413.494 1.787 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(=O)NCc1ccco1 1705627978 UNXDMJRSJVNLTL-KRWDZBQOSA-N 401.467 1.515 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCN(C)C(=O)OC(C)(C)C 1705628819 QBLLIMXVUUYZSL-MRXNPFEDSA-N 407.515 1.735 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCCC)CC1 1705647528 GENDQAHGWCAJBC-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)C1CC1 1705667204 JUKHQJUPPKEBGY-OAQYLSRUSA-N 400.527 1.715 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCCCO)CC1 1705764960 UFNGZICIYKTQGV-UHFFFAOYSA-N 420.535 1.904 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705826258 SSHLCKJQKYXJOH-UHFFFAOYSA-N 423.539 1.911 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1705832557 BEHKCPFDRFBLAS-FQEVSTJZSA-N 407.515 1.191 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705833149 WDCKMFKXVRPCLZ-MSOLQXFVSA-N 419.526 1.550 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cnn(C)c1 1705835408 JVFPLKLMAKPIBY-UHFFFAOYSA-N 414.539 1.951 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1705846765 RQDKFBYILOYWHV-HUUCEWRRSA-N 405.524 1.943 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1705900906 TVSGDHPUEIVFOF-KDURUIRLSA-N 424.505 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(C)C)CC1 1705931929 FZFCOXRELHTYER-UHFFFAOYSA-N 406.556 1.652 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1706611518 IEXQEPQGMRUMPC-SFHVURJKSA-N 422.555 1.514 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1711264039 DRFTZUYSTIKBLA-KBXCAEBGSA-N 421.502 1.007 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1712875498 DEDJNRHUOUDQPO-IIDMSEBBSA-N 411.503 1.786 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1722333885 ZTXZWNVOXSZFHQ-INIZCTEOSA-N 424.592 1.696 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722337218 WJFLBXNCDQHQSA-CQSZACIVSA-N 421.523 1.679 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1-n1cccn1 1722356216 DALLQDVMJHTKGV-UHFFFAOYSA-N 401.478 1.838 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722371458 WOQJZKLRQPVDRN-OWCLPIDISA-N 410.565 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCn1cc([C@@H]2CCOC2)cn1 1722382001 JGYTVEPYIAFTOB-HXUWFJFHSA-N 415.501 1.737 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CC1(S(C)(=O)=O)CC1 1722386729 JCRYUALXJLJOFQ-UHFFFAOYSA-N 412.515 1.816 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)OCC)CC1 1722450294 CGZSKPCYIMGUFI-QGZVFWFLSA-N 403.527 1.911 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1722467668 VNWGJVKYVAYUBE-HNAYVOBHSA-N 402.524 1.632 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722617741 LVLRLUJDCLDXSK-ZWKOTPCHSA-N 416.570 1.927 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cncn2)C1 1722719988 DKJZDQULEHWSLK-MRXNPFEDSA-N 400.512 1.707 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1723559838 GURSWRKTOKIMJB-UHFFFAOYSA-N 412.494 1.466 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nncn2C)CCOC1 1723683324 UUARAGPRLVDMTE-WOJBJXKFSA-N 414.514 1.626 30 10 HDEE CN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1729524859 WJUBDGDQDDVZSB-HUUCEWRRSA-N 416.448 1.785 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1730717446 GRDXTKNUNSXWOH-ZZEZOPTASA-N 421.461 1.426 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCn2ccnc2C1 1730872655 CYIZJJDHGXCQRR-IXDOHACOSA-N 415.498 1.190 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)nc1 1730953906 BWMCAZFTSZFQKA-BQFCYCMXSA-N 414.466 1.183 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2sccc2n1 1740588903 JELDJWLWRXGKLB-ZDUSSCGKSA-N 411.491 1.989 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1740625333 NHXLUHQCHWCCTR-WBVHZDCISA-N 419.576 1.642 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1740636453 ZLGLEGXMWLQIRW-UHFFFAOYSA-N 408.853 1.219 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1740681974 ZASOZNVOZVULBM-MRXNPFEDSA-N 413.478 1.327 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1740729300 CPPBVXBEKVRDCA-NJNPRVFISA-N 413.570 1.247 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1740941149 CTSFARPXMDYVLP-GOSISDBHSA-N 424.509 1.835 30 10 HDEE C[C@H]1CSCCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1743373464 CGLAMUIYGMGEDJ-ZACIOGPDSA-N 418.523 1.598 30 10 HDEE CCCCOCCOCCn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745556484 QBSZJBVULLQEGE-UHFFFAOYSA-N 400.483 1.955 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1748792713 IDVDUHHDWGVQMS-SFHVURJKSA-N 401.430 1.997 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1748846118 CWCAKCWXGJGKPD-DLBZAZTESA-N 410.499 1.429 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1749044605 SLKASGPNVLGAJW-UHFFFAOYSA-N 404.584 1.687 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749458109 YLXZCTSTCOCIFL-FUHWJXTLSA-N 418.542 1.805 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1)C1CC1 1749519973 VROFRVMOBFRMEG-INIZCTEOSA-N 404.540 1.701 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749664097 GHXYNXUYCVKIKN-MRXNPFEDSA-N 414.485 1.691 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760151136 YMIFSEIOJXWDEY-MRXNPFEDSA-N 424.505 1.932 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(C2CC2)C1 1760207508 MBKODFICWMUFLJ-KRWDZBQOSA-N 422.558 1.827 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1760237683 QOTUJJJUVCWMPC-UHFFFAOYSA-N 401.521 1.937 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@H]1C[C@H]1C 1760247908 VEAYQBGWYUPOQI-ZBFHGGJFSA-N 402.524 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCn2ccnn2)CC1 1760268874 YUUIXRQMLLUQHX-UHFFFAOYSA-N 418.505 1.593 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1(CS(C)(=O)=O)CC1 1760292516 CGUHZEQWMQUUOU-GOSISDBHSA-N 402.524 1.496 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760491363 DLYCWBWMKFODOB-HXUWFJFHSA-N 413.503 1.545 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CN(C)C2=O)C1 1760536657 IPYHHGWXJVDCKX-CZAAIQMYSA-N 419.526 1.190 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1 1760620590 OTLFFUQTBDSSCQ-HXUWFJFHSA-N 423.521 1.206 30 10 HDEE CC(C)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1761124621 RTUBNEHULWTMHE-JKSUJKDBSA-N 412.494 1.988 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1761433698 CLFQEZCEXWJCJT-GOSISDBHSA-N 424.549 1.994 30 10 HDEE CCOC1CC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1766111635 CRBABEUHNRDBDW-KZYLPZIUSA-N 409.556 1.981 30 10 HDEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1766592103 OFIQXVYKCNIAQC-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE CCS(=O)(=O)NCCCn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1766721905 IGCWQJHEHVBANJ-GOSISDBHSA-N 412.535 1.782 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@](C)(C#N)C1 1768290924 LUURXSZSHXSWFB-CRAIPNDOSA-N 410.544 1.589 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1769120506 CWPLKJKQFDRSCH-ZDUSSCGKSA-N 407.482 1.304 30 10 HDEE CS(=O)(=O)[C@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1770313220 QZHXGCHDWZZPIH-PBHICJAKSA-N 419.507 1.698 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770601937 JLAMSYKXOPPRSC-IGGDJGDASA-N 423.477 1.482 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2ccccn2)CCO1 1770751336 GPAZKBMZPZGFBV-MRXNPFEDSA-N 423.502 1.636 30 10 HDEE C[C@@H]1NC(=O)[C@@H](CC(=O)OCc2cccc(COc3ccc(C#N)cc3)c2)NC1=O 1850522578 FBJOTYQAORNSFW-IFXJQAMLSA-N 407.426 1.574 30 10 HDEE N#Cc1ccc(OCCCN2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1850719699 WSWAYUCGZJBEMD-UHFFFAOYSA-N 406.430 1.341 30 10 HDEE Cn1[nH]c(=NC(=O)c2ccc(C#N)cc2)nc1N1CCN(c2ccc(F)cc2)CC1 1851910508 CFNMREDXABHMLG-UHFFFAOYSA-N 405.437 1.827 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4ccccc4F)C3)CO2)nc1 1852469249 YXXNOCBODCFJOG-DLBZAZTESA-N 410.405 1.804 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 1853279838 FVWUDHHMVGYBPU-UHFFFAOYSA-N 404.474 1.962 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1C#N 1853332357 SGPKQOBEBNFTQO-LLVKDONJSA-N 419.429 1.768 30 10 HDEE COCCC(=NOCCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853438549 PCJCCSBNYPINEW-UHFFFAOYSA-N 412.556 1.196 30 10 HDEE C=CCN(Cc1ccc(F)nc1)C(=O)c1cnc(N2CCOCC2)nc1COC 1853477425 AGVOXTAXKWPTAX-UHFFFAOYSA-N 401.442 1.822 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCc3ccc(OC)cc3OC)C(=O)C2)C1 1853660194 SBJBNFHISSVZFK-GOSISDBHSA-N 401.507 1.568 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)cn1 1853845798 YXEWYIJMZSTKOE-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](N(C)CCC#N)C3=O)CC2=O)cc1 1854242580 PWOVAMWUICZUMG-QFBILLFUSA-N 412.490 1.801 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ncc(Cl)cn2)C1=O 1854248085 AAJPHZJOQQZPEM-GJZGRUSLSA-N 405.886 1.370 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1=O 1854319742 DENWIBZTWDNLQF-SFHVURJKSA-N 401.507 1.915 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854450968 TVHLGUQLJYBXFP-SFHVURJKSA-N 415.515 1.271 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2=O)CC1 1854638724 SSLZSDQULWALLV-DLBZAZTESA-N 407.511 1.792 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(CC(=O)N4CCCC4)CC3)CC2=O)c1 1855119556 WAOBRZWLIFOVQG-HXUWFJFHSA-N 408.502 1.881 30 10 HDEE N#CCCN1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C12CCCCC2 1856628284 ODGAJNBWAUCHMC-UHFFFAOYSA-N 416.913 1.854 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(CCn4cccn4)CC3)C2=O)c1 1856762315 PKCMPPUYRZPSOE-FQEVSTJZSA-N 406.490 1.204 30 10 HDEE Cn1nccc1C(=O)N1CC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1857017240 RYFASHOKHKPHPN-GOSISDBHSA-N 408.462 1.219 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)n(C)[nH]1 1870004092 UDYOBLLSBVLFDS-OAHLLOKOSA-N 424.461 1.105 30 10 HDEE CCCCCCCCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CC(O)C1 1870477175 XBLJNGGQXNVISY-UHFFFAOYSA-N 424.538 1.954 30 10 HDEE N#Cc1nc(-c2ccccc2)oc1S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1 1871288230 DBWXFLILEWPEJI-UHFFFAOYSA-N 418.456 1.339 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCCC)nc1C 1872706922 VKJDPJQTUMDUJW-UHFFFAOYSA-N 423.451 1.725 30 10 HDEE COc1nc(N2CC(NC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 1901384942 PANDKRGCKCZXBJ-UHFFFAOYSA-N 401.194 1.257 30 10 HDEE COc1ccc(COC(=O)NCCOCCOCCOCCOCCC#N)cc1 2060432413 AEGTXLGEDHILOW-UHFFFAOYSA-N 410.467 1.901 30 10 HDEE CN(Cc1csc(C#CCO)c1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161938970 NSOLOJDIEPSQEB-UHFFFAOYSA-N 406.529 1.670 30 10 HDEE C=CCC1(NS(=O)(=O)[C@H]2CCC[C@@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 2162442577 DBACWADXBTWMJR-KBPBESRZSA-N 402.513 1.813 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@@H]1C(F)(F)F 2174782493 QWFZQNDAHVZRCX-SDDRHHMPSA-N 412.434 1.464 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H](C)N1C(=O)OC(C)(C)C 2174787851 YTBPOXLWZRPZJZ-HUUCEWRRSA-N 401.529 1.966 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN([C@H](C)C#N)CC2)C1 2181148013 POHBIHUPTJXJCW-ZWCUEREDSA-N 414.506 1.859 30 10 HDEE N#C[C@](N)(Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O)C1CCOCC1 2208113932 FJQDPAJYEHGJKX-QFIPXVFZSA-N 407.474 1.760 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247811922 MCIZORJMEYMBCB-JKSUJKDBSA-N 420.315 1.858 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248062250 YOXMSBDVUZACLU-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE Cn1ncc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255543862 PORZXHYNSOLPKC-GOSISDBHSA-N 424.354 1.971 30 10 HDEE CC(=NO)c1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)nc1 2256345874 XLUVYJABVOCDTC-UHFFFAOYSA-N 402.432 1.708 30 10 HDEE N#CC1CCN(S(=O)(=O)N2CCC[C@H](NC(=O)OCc3ccccc3)C2)CC1 2264025742 YCJHAYAHRWYRKH-SFHVURJKSA-N 406.508 1.858 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)c1nn[nH]n1 2282309607 HZJMEOKEYKKYJS-ZETCQYMHSA-N 419.725 1.253 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](CO)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320177 DYAHFNMYQYHIHL-OLZOCXBDSA-N 401.359 1.747 30 10 HDEE CC(C)[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282351863 HAKBNDXBGHIEPK-KBPBESRZSA-N 401.359 1.997 30 10 HDEE C[S@](=O)CC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876265 AQODAAUJTKUTOB-VWLOTQADSA-N 419.399 1.187 30 10 HDEE CC1([C@@H]2CCCCN2C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)OCCO1 2283058771 ZBSQKMRHTJAMSH-AWEZNQCLSA-N 403.288 1.534 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@H]3C(=O)O)c2)OC1(C)C 2284398545 ZFRHYJYJLKBPON-NEPJUHHUSA-N 401.315 1.579 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1C[C@H]1C(=O)O 2284408101 SCLOUFGAIFEDCU-GHMZBOCLSA-N 401.315 1.355 30 10 HDEE CC1(C)OB(c2ccc(COC3CCN(S(C)(=O)=O)CC3)s2)OC1(C)C 2285593873 OZBROMLYXDZQHT-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C=CC[C@@]1(CO)CCCN1C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2287759628 CAUQXASZMNNPRB-KDOFPFPSSA-N 404.529 1.244 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244933 CFVQOTQOLXYJKA-GWCFXTLKSA-N 402.347 1.226 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244936 CFVQOTQOLXYJKA-ZWNOBZJWSA-N 402.347 1.226 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1CSCCN1C(=O)OC(C)(C)C 2342033274 OCBDAXSKXOMDIE-CABCVRRESA-N 402.582 1.898 30 10 HDEE CSC1(C(=O)O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2362080817 ITCPLDZXFLSIMZ-UHFFFAOYSA-N 419.355 1.238 30 10 HDEE CCN[C@H](C#Cc1nc(CC)cs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2363993231 AEWQARXTXVILML-HUUCEWRRSA-N 415.581 1.973 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@H](NC(=O)OC(C)(C)C)C1 2365200898 CJBNGGVCTMTNTO-QMTMVMCOSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 2365201443 ISSZKLWGVSUOLS-BEFAXECRSA-N 404.573 1.799 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)OC(C)(C)C 2365213894 YVTGVLIDTMIRSY-LVQVYYBASA-N 400.541 1.568 30 10 HDEE COCC[C@@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367784206 NZYDMNXBDITJMC-YJBOKZPZSA-N 400.541 1.558 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2367804835 XAXVTSJWOYESIU-HOTGVXAUSA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CN(C)C(=O)OC(C)(C)C 2367824396 LMUVOWSODSGXEL-MAUKXSAKSA-N 402.557 1.553 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369492658 QVEJGRZLDFLREW-NSHDSACASA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(O)CCCSC2)OC1(C)C 2369681345 GUIRPLDJZSKOJZ-INIZCTEOSA-N 419.399 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)N2CC(C#N)C2)[C@@H]1C(F)(F)F 2370221213 JZBGKQAKHOTJFO-VXGBXAGGSA-N 412.434 1.607 30 10 HDEE C=CCOc1ccccc1CNCCS(=O)(=O)N1CCN(c2ccccn2)CC1 48783881 IBTMFBNAUPLULC-UHFFFAOYSA-N 416.547 1.888 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)CCO1 409490440 GTKSLXISCNVCMO-DOMZBBRYSA-N 405.398 1.548 30 10 HDEE Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1S(=O)(=O)NC1CC1 427270457 UQQFANAJYPMWTP-UHFFFAOYSA-N 406.489 1.812 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)Cc1ccc(C#N)cc1F 440051216 ZRVNPARUVARMCD-UHFFFAOYSA-N 411.480 1.567 30 10 HDEE N#CC1CCC(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 441692532 STZDCKGNBXCJRR-UHFFFAOYSA-N 421.519 1.962 30 10 HDEE CCN(Cc1cn(C)nn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 461625146 JPLZEEJOSKENSW-KRWDZBQOSA-N 422.493 1.920 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cn1 461744935 IPDWWCBCJNOTLB-HLLBOEOZSA-N 411.491 1.803 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 463879644 BWCWQVFTEGSZHC-GDBMZVCRSA-N 421.519 1.805 30 10 HDEE C(#CCN1CCC(CN2CCOCC2)CC1)CN1CCC(CN2CCOCC2)CC1 472767667 INWPNJOBUWDBAR-UHFFFAOYSA-N 418.626 1.078 30 10 HDEE CC(C)(C)OC(=O)[C@@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCCC#N)C1=O 474390550 HGMIQIGVSJTJGH-DLBZAZTESA-N 421.519 1.893 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC2CC(N3CCCCC3)C2)n1 484999144 AOTXLMJOZHESQR-UHFFFAOYSA-N 410.453 1.955 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)CC1 493506200 FEZGZKRDMCKMHR-MRXNPFEDSA-N 424.423 1.257 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCC[C@H](CNS(=O)(=O)C3CC3)C2)cc1 498399816 YPHLSHYFOJRUGD-MRXNPFEDSA-N 406.508 1.440 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 503625078 DZAIQKBPTOLMLH-OAHLLOKOSA-N 419.279 1.386 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 505948493 WGCCLWBMHNJFIT-ZUOKHONESA-N 406.435 1.533 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 506588539 LYWOCTFUYPFUIF-FUHWJXTLSA-N 415.519 1.911 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OCC(C)C)C1 508823058 BEFJRWVGTZCBIR-HOTGVXAUSA-N 413.544 1.048 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(c2nccn(C)c2=O)CC1 508988136 RSVDQRAZDAMOTC-UHFFFAOYSA-N 405.506 1.784 30 10 HDEE C[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546197799 QVUGZGCBGPOQEM-AWEZNQCLSA-N 403.446 1.297 30 10 HDEE COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546881240 LCIWBZHLAHAPEG-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 549597898 IWNYRDHJFFQRIL-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)C1=O 550112092 LLADRYVQNRHSCO-UHFFFAOYSA-N 405.317 1.590 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2CC(=C)C)CC1 555240484 KOQFZAJBADIIBJ-UHFFFAOYSA-N 400.552 1.931 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 560814348 LIENQAHTYMRRFB-GDBMZVCRSA-N 406.508 1.132 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)c(F)c1 586863908 DGXCGSOLYFWJBT-UHFFFAOYSA-N 416.497 1.712 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 588886261 LNTUXHANCRANEG-OAQYLSRUSA-N 415.538 1.123 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCC(c4nnc5n4CCC5)CC3)cc2)c1N 608924738 HKGVSVTZKYLHHN-UHFFFAOYSA-N 402.462 1.884 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCN2C1=O 675086051 BMZSBOZHEMVNRJ-OAHLLOKOSA-N 408.380 1.735 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1SC[C@@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 731213813 UBAZWZBNSAXMJQ-JKSUJKDBSA-N 405.545 1.999 30 10 HDEE CC(C)(C)CS(=O)(=O)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733856425 GBPVKZXKNGBFAR-AWEZNQCLSA-N 406.464 1.255 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCN(c2ccccc2)C1=O 733949522 YYDYAXSZSVGVLT-INIZCTEOSA-N 412.471 1.037 30 10 HDEE COc1ccc(N2CCN(CCNS(=O)(=O)c3cc(C#N)ccc3C)CC2)cc1 734153516 HOUGRNFPHIBXCI-UHFFFAOYSA-N 414.531 1.976 30 10 HDEE Cc1cc(OC(C)C)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737304920 DIXBKTJGLSYRRQ-ZCXUNETKSA-N 400.435 1.363 30 10 HDEE COC(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 742465192 IFBISXFJONKJSF-CYBMUJFWSA-N 415.471 1.607 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)CC1 747984042 MVEQYBJFAXHQIK-UHFFFAOYSA-N 406.486 1.568 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1 751655268 CXYCZKDZNOYYKI-RDJZCZTQSA-N 404.536 1.783 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 758701566 GHDHCLGYXWNHSS-WWCDLDMOSA-N 402.426 1.117 30 10 HDEE C[C@@H](OC(=O)c1cnn(CCC#N)c1-c1ccccc1)C(=O)N(C)CC(=O)NC1CC1 759085138 ZJIPTKBCXULGCS-OAHLLOKOSA-N 423.473 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760402265 RFBSPLSNOJBGSV-AWEZNQCLSA-N 415.512 1.542 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)c1 769228848 WOCXIJXRSSOCCE-AJNNJPABSA-N 422.507 1.523 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)[C@H]1CCS(=O)(=O)C1 774191274 GOPMVBIKEHXOPZ-WMZOPIPTSA-N 405.520 1.353 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](OC(=O)[C@@H](O)c2ccc(C#N)cc2)C1=O 780208842 FETKOOROORFTGQ-GJZGRUSLSA-N 400.412 1.788 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C1CC1 780775938 HRQXAPIWTONFQN-GFCCVEGCSA-N 423.438 1.341 30 10 HDEE COC(=O)[C@H](OC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)c1ccc(C#N)cc1 784543389 XMJUORFWSIVZED-IPMKNSEASA-N 412.442 1.757 30 10 HDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)n1 786250963 VSAOFCCSADXJLC-GOSISDBHSA-N 412.512 1.826 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)cc1OC 791307635 KAFDHCRNRZRJPD-UHFFFAOYSA-N 408.407 1.736 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncccc1O 792618942 FGORILYBDADANO-UHFFFAOYSA-N 402.476 1.703 30 10 HDEE CS(=O)(=O)NCC1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)CC1 796253317 HFHIAAATGGBITF-MRXNPFEDSA-N 413.503 1.485 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)cc1C(F)(F)F 800383378 RRSVUEISMNKMQB-IKBFSEMESA-N 422.384 1.709 30 10 HDEE C#CCN(C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 800763929 USGXUNWTXAVNPY-RTBURBONSA-N 413.499 1.422 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@]2(CCOC2)C1 800784453 JQDWNOFDEONVFI-OAQYLSRUSA-N 413.478 1.886 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)c1cccc(Br)c1 802142495 BCLCHNIZAGSVNI-PQDJCJPTSA-N 423.267 1.308 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)c3cn(CCO)nc3C3CCOCC3)CCO2)c1 856668978 VAOZZQDBCIXHAY-HXUWFJFHSA-N 410.474 1.855 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCC[C@H]3c3ncon3)C2=O)cc1 1116108309 GBSLWHINCNYHAT-HOTGVXAUSA-N 408.418 1.900 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1128694106 PKBLWUIAFUMYRZ-KBPBESRZSA-N 422.448 1.953 30 10 HDEE C#C[C@@H](NC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)c1ccc(Br)cc1 1129610057 DFHYKRIPTZXPKQ-HUUCEWRRSA-N 407.264 1.651 30 10 HDEE C=CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1134429056 MRKUECSPXJGOJW-BEVDRBHNSA-N 423.535 1.729 30 10 HDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1139659121 ZVBVSLOEDAAYNU-GVDBMIGSSA-N 413.515 1.446 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCOC)nc2)c1 1141752509 NCCZMHRGXHLZLF-UHFFFAOYSA-N 402.472 1.834 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1167951659 AIUBWGZKLRAREF-YVWKXTFCSA-N 404.532 1.806 30 10 HDEE C#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1170249592 XDIHWHYVDHQEJO-ZDUSSCGKSA-N 401.941 1.332 30 10 HDEE Cc1cc(CN(C[C@H](O)CC2(C#N)CCOCC2)C2CC2)cc(S(N)(=O)=O)c1C 1171718724 KBDLCRGIQVEFLK-LJQANCHMSA-N 421.563 1.987 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1178198726 RHZLULJWIYNIQH-QGZVFWFLSA-N 423.491 1.678 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1179978321 FPORXVNWTSXUCH-GOSISDBHSA-N 418.540 1.446 30 10 HDEE N#CCC1(O)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 1193713629 ICMOXUWRBMIXPC-UHFFFAOYSA-N 406.508 1.150 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1227631218 FREJPWBCMDHXSX-ROUUACIJSA-N 410.478 1.042 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 1286335200 HBSVHHZYAYXNRY-WFXMLNOXSA-N 404.511 1.801 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286387764 UZHPEISXLBDERG-MSOLQXFVSA-N 413.503 1.660 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286396343 PJWXVQKOXKTIRK-LNLFQRSKSA-N 424.567 1.502 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nccs2)CC1 1286490366 RJEFMNNOBMCXAS-UHFFFAOYSA-N 409.519 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCCOCC1 1286780456 UNIAPPDVXXCXHL-UHFFFAOYSA-N 423.315 1.575 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CCC)C1 1286789661 IULXBOQOMXHIJT-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1288614014 YKBSNEDGKOISBT-GOEBONIOSA-N 417.901 1.443 30 10 HDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1)N(C)C1CC1 1288651118 DZQFEGMBPLNPBL-GQIGUUNPSA-N 420.583 1.793 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1291113243 ALKUCWZQPFVCNX-MGPUTAFESA-N 415.519 1.603 30 10 HDEE C=CCCC1(C(=O)N2CCN(CCN(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1296827043 YCKKCXZIVHTDSU-RMMWZPCPSA-N 401.551 1.759 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1299675558 XDXNNMLBNUVRDY-UAGQMJEPSA-N 405.520 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1300268626 UJDSVWKLBGRBNQ-GVDBMIGSSA-N 404.559 1.762 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cnnn1 1300298239 BBEZLNJSCQEQSY-INIZCTEOSA-N 402.466 1.666 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@H]2C)c1 1300332708 LJNYIOKRPIOBJC-KYJSFNMBSA-N 406.490 1.941 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300499801 XEKDOXSQFMCWNJ-OALUTQOASA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)cc1OC 1300554075 ZOMTZMHRUJQBBR-UHFFFAOYSA-N 409.490 1.945 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1300657611 YXTMIGDCRMBZRM-CZIZESTLSA-N 424.461 1.459 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)CNC(=O)C2 1300993875 KDDGQYDCBAXXDN-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1301271640 YUTQBSWNAAWXIA-NQIIRXRSSA-N 406.575 1.578 30 10 HDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1301305600 IAPNVBPXPQYBSK-HXUWFJFHSA-N 415.519 1.522 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCS2)cc1 1302991144 BLPPVFSJDIQJGF-INIZCTEOSA-N 403.533 1.947 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 1304848388 UHDLBJMGYLFXJW-HUUCEWRRSA-N 411.499 1.365 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 1309312753 QHZIHPSXJBPUJI-LBPRGKRZSA-N 403.439 1.589 30 10 HDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1312978368 XPPOZYXWKZRYLX-UHFFFAOYSA-N 404.583 1.777 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1315823239 XCZACUSGQIKRGE-IAGOWNOFSA-N 415.473 1.360 30 10 HDEE COCCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1315953682 HYIVKMCTODIYCS-DYVFJYSZSA-N 416.523 1.393 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1316536173 DGMMDEKFVDDTMC-KRWDZBQOSA-N 402.499 1.336 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCC1 1358913156 HAWPTXBVCVADPR-QGZVFWFLSA-N 409.556 1.795 30 10 HDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1358914303 PRBLQGVPZJVAJT-SFHVURJKSA-N 408.506 1.895 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)CC=C 1358945914 ZUSXFBYEGTUHMR-UHFFFAOYSA-N 410.503 1.801 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1358955449 MDGWILISCCVCCJ-AWEZNQCLSA-N 401.492 1.715 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1359010408 OVRCJIHWZZGSOM-KRWDZBQOSA-N 407.540 1.571 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1359055683 MFWMHVRYWIYAFW-LJQANCHMSA-N 424.574 1.871 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC 1359069424 LIJAULDGKRFRQA-JOCHJYFZSA-N 419.489 1.320 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)CC1 1359137417 PAVXMUGEFOLNDZ-ROUUACIJSA-N 407.515 1.263 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(c2cnn(C)c2)CC1 1359297460 RCBOTIQGJXBLSC-UHFFFAOYSA-N 420.521 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1359327211 VNMIQTFNXHUOER-CQSZACIVSA-N 404.558 1.016 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)OC(C)(C)C 1360466772 IBNFVVAGOZBNAL-AWEZNQCLSA-N 405.503 1.777 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)CC2(C#N)CCOCC2)ccc1OC 1436111857 TVGCYLHLUMGMDL-UHFFFAOYSA-N 411.480 1.269 30 10 HDEE C=CC[C@]1(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1437301578 MAFREULIDWFHJJ-KBXCAEBGSA-N 401.529 1.482 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)C(=O)OC(C)(C)C 1443861439 CFNBIXDDKUXTTB-UHFFFAOYSA-N 403.454 1.980 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nccn3C)C2)s1 1448674240 ZMGSIMKBPWMVCC-AWEZNQCLSA-N 408.549 1.895 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C2(O)CC2)CC1 1452923810 YOPKPRUGQKKNOW-KRWDZBQOSA-N 419.547 1.903 30 10 HDEE C=CC1(CC(=O)N2CC[C@@H](CNS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1455496133 QAOKQCOYBIDAGY-AWEZNQCLSA-N 401.529 1.197 30 10 HDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)n1cnc(C#N)n1 1462721644 LOHWTBULIDPZKN-CABCVRRESA-N 418.498 1.633 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnccc2-c2ccc(N(C)C)cc2)C1=O 1462755015 JDDRMCXDJSWVMN-UHFFFAOYSA-N 407.430 1.730 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)c(OC)c2)CC1 1466425034 QUXRLYANNYDAOG-UHFFFAOYSA-N 420.413 1.331 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1468372784 JLHALMOYDATRCM-CYBMUJFWSA-N 405.252 1.843 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(O)C1=O 1468374750 WQZKWTJXVWYHDE-NUEKZKHPSA-N 407.467 1.591 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1=O 1468540272 WNXDIVJIYMSJAQ-UHFFFAOYSA-N 402.252 1.377 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)NCC3(C#N)CCOCC3)C2=O)c1 1469235259 DDBWRNYBHCEXBP-KRWDZBQOSA-N 402.451 1.429 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)cc2C1=O 1470467264 CACISXFHKJTUFI-UHFFFAOYSA-N 417.418 1.185 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1471353129 SGLFZNWFWYPAFH-UHFFFAOYSA-N 404.536 1.993 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)C1 1471832973 MOISWOAEAURHCQ-GOSISDBHSA-N 420.579 1.052 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1471984432 XETBIAGIEZMAKA-ZWKOTPCHSA-N 419.551 1.950 30 10 HDEE C[C@H]1Cn2nc(C(=O)NC[C@@H]3CCCN(CC#N)C3)cc2CN1C(=O)OC(C)(C)C 1472518664 XOKYDTPWGRFFTL-HOTGVXAUSA-N 416.526 1.988 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)c1 1473111317 RMDKSCXXNBKBDL-NHCUHLMSSA-N 407.470 1.920 30 10 HDEE C=CCN(C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1477058337 NLLVGFUHBHMISG-OAHLLOKOSA-N 413.521 1.761 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)CC2)c1 1478879504 NALBSGUNJLSDFE-SFHVURJKSA-N 411.462 1.902 30 10 HDEE C#CC[C@H](COC)NC(=O)N[C@@H](CO)c1ccccc1I 1479060914 QDZGMSHHLJAQHE-RISCZKNCSA-N 402.232 1.662 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCCCO 1503066188 FPDATHIHSJDWBJ-UHFFFAOYSA-N 400.483 1.902 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C[C@@H]2CCCOC2)CC1 1506350090 JYENKJIBBHBFIS-MZNRPPOFSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1507534487 PULTYGAYEYTHNZ-WMLDXEAASA-N 412.469 1.185 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCCC)[C@H]1CCS(=O)(=O)C1 1507623834 XXIJCYRNLYWNPW-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O 1507645558 FZQQUKCGSMKIDA-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1507690637 UPRIZPPTCIHBLP-YLJYHZDGSA-N 405.568 1.449 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1507732314 FRRUDQQBNQUKGF-MRXNPFEDSA-N 414.476 1.454 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1COCCO1 1507762258 XMPQCKQZBHFWQP-WMQCIHAUSA-N 404.511 1.726 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCNS(=O)(=O)CC 1507764786 SYPSDPHBODMIQL-HXUWFJFHSA-N 417.535 1.885 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1507772169 HZSZQOSCVVESKH-VQIMIIECSA-N 423.608 1.221 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1507902188 CKUOPTHEDVJMIY-DLBZAZTESA-N 416.526 1.127 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(C)C)C1 1508139727 DGNDBTPTEXTSNG-IAGOWNOFSA-N 412.556 1.634 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C[C@H]1O 1517687274 CMNAOEVFABQPBI-CEXWTWQISA-N 423.473 1.522 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1(NC(=O)OC(C)(C)C)CC1 1519190362 GHZLASDKZZBLCU-CQSZACIVSA-N 400.483 1.833 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1519326672 JDGNQZWHVICFAX-GQIGUUNPSA-N 407.515 1.672 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)nn1C 1526701274 BJFABOKAWREDRJ-UHFFFAOYSA-N 423.882 1.527 30 10 HDEE CCS(=O)(=O)CCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1528577136 BTMNCCSXZUENRB-UHFFFAOYSA-N 420.491 1.964 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1ccc(Br)c(C#N)n1 1529527570 SEMZDWHOUUDYOI-UHFFFAOYSA-N 410.272 1.464 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)c(C)c3C#N)CC2)cc1 1529920614 SPVXADCHSFWXFE-UHFFFAOYSA-N 401.492 1.948 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@H]3CCCN3S(=O)(=O)c3cccs3)CC2)C1 1538886871 FPPRGZJMCDZHOZ-OAHLLOKOSA-N 410.517 1.766 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1539211497 MSHIAYVMURZILZ-PXNSSMCTSA-N 402.520 1.733 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539216786 XHECCIDKEULDDB-BZSNNMDCSA-N 404.536 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1539278389 APCQYYKQPQVQGG-IBGZPJMESA-N 411.506 1.862 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1ncn(C)n1 1539405533 CJNANVIJKVSEOG-UHFFFAOYSA-N 402.462 1.756 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cnc(C)s2)CC1 1539427354 BSJSKDPGUPTSRB-UHFFFAOYSA-N 415.567 1.765 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1539444884 XBMIETFDJISCCQ-IBGZPJMESA-N 410.570 1.554 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H](COC(C)C)C1 1539742373 CHWXRFODYBSTQU-KRWDZBQOSA-N 402.499 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540903458 DYZYWNIEPLULIV-IRXDYDNUSA-N 412.556 1.462 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1=NO[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1 1546071574 HPBJJUVGWBDADE-SFHVURJKSA-N 415.512 1.249 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1554367608 ADJMBIYGWUQWES-NRFANRHFSA-N 424.509 1.828 30 10 HDEE N#CCCn1cc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1556503267 NWXFVFVHEIMYOK-MSOLQXFVSA-N 424.461 1.653 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1558597944 DBRQJAPSFZCMLH-INIZCTEOSA-N 410.455 1.508 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCSc2c(C)[nH]c3ccccc23)C1=O 1558852759 YPUHNOQFOJDFCN-UHFFFAOYSA-N 400.460 1.661 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1561799325 SHVFRKGWTLXZGR-INIZCTEOSA-N 414.549 1.486 30 10 HDEE COc1cc([C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1OC(C)C 1563492921 CUPNJANLBFYGCQ-CYBMUJFWSA-N 415.450 1.677 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NC)CC1 1565017687 SCDCCDJUHXLBRE-OAHLLOKOSA-N 411.424 1.780 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1c1nn[nH]n1 1567808734 BVLQQMOXTHWRFQ-MNOVXSKESA-N 402.908 1.852 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCCS(=O)(=O)C1CCOCC1 1569308857 QOIRYOODURULFF-UHFFFAOYSA-N 410.492 1.436 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](CCC)S(N)(=O)=O)n1 1584411819 GAZDILYDIZYZFF-SNVBAGLBSA-N 416.554 1.196 30 10 HDEE C#CCN(C(=O)[C@H]1CCS(=O)(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1586216267 CEOJRXNTJJZOLO-ZIAGYGMSSA-N 413.293 1.426 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCc1n[nH]c(C)n1 1588078467 HUGMKNXPONAHBB-UHFFFAOYSA-N 416.489 1.889 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1588083843 KUGUITROWCLJBS-MRXNPFEDSA-N 414.535 1.075 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(N(C)C)cc2C)CC1 1588806486 SMUMXCADPNQGNI-UHFFFAOYSA-N 416.533 1.913 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1 1589516094 WOFKEQQNYWFZNO-DOTOQJQBSA-N 403.508 1.556 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1593740705 CWWNSVWDROAQPG-DLBZAZTESA-N 404.515 1.668 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CC1 1594237205 NSKCIUPVWFEGMZ-KRWDZBQOSA-N 409.556 1.958 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1594963448 SVRUSZGIUMGFBG-MUUNZHRXSA-N 403.556 1.843 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1595381794 WBUJAQYKOAQUDD-KRWDZBQOSA-N 410.526 1.444 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(S(N)(=O)=O)c3)n[nH]2)c1C 1595547507 FHAPEVSMFMYYGW-UHFFFAOYSA-N 414.491 1.653 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1595900836 KRFYXRFBWGHQLR-UHFFFAOYSA-N 408.528 1.254 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1596822774 NEDRYDDFTVCWPA-WBVHZDCISA-N 412.494 1.680 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCN(C)C 1596831387 MUNAWUBNMUPRSK-APWZRJJASA-N 414.510 1.965 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(C)[C@H](C#N)C3(SC)CC3)cc2S1(=O)=O 1597812052 CYXSZHXIZLTXPL-OAHLLOKOSA-N 423.516 1.337 30 10 HDEE CC(C)N1C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1610900814 SWPKYGNXMPXTOJ-AQZMIJIOSA-N 404.511 1.899 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)CC1 1611774862 NCEOQWKOMZVBOI-MRXNPFEDSA-N 400.487 1.434 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCc2noc(CC)n2)CCOC1 1616139828 BQHJOOQTOCAOJV-KUHUBIRLSA-N 403.487 1.714 30 10 HDEE C#CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1616886694 WINZHRYCNDMBEC-UHFFFAOYSA-N 419.425 1.290 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)N(C)C1CC1 1616922751 MJSZYISWFPRINX-QGZVFWFLSA-N 424.553 1.891 30 10 HDEE CCOCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1617143682 XENDPCWHBFYIQE-KIJUOZEOSA-N 418.498 1.171 30 10 HDEE COC1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1619481720 KKUFIRCEZZSUKU-MYBQVCMBSA-N 423.539 1.114 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1620354771 CLWKSQMKHCRPQR-RTBURBONSA-N 411.510 1.306 30 10 HDEE CC1(C)[C@@H](O)[C@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)[C@H]21 1620491061 XCWVPKDGBHVMDV-FIYPYCPBSA-N 402.564 1.938 30 10 HDEE C=CCOc1c(Br)cc(CN[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1OC 1620999690 BNILTLBLPNJMBA-UKRRQHHQSA-N 420.325 1.924 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)CC1 1623173967 JBUHIDSNOJWKKO-ZDUSSCGKSA-N 405.426 1.499 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1623498990 LXZSOCKFVRXIJF-UHFFFAOYSA-N 400.223 1.235 30 10 HDEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 1624417265 MPGVUSGGAOIBDO-LMMKCTJWSA-N 407.536 1.454 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NCc2nnc3c(=O)[nH]ccn23)cc1 1626142118 BVOJQPMQPVELIX-UHFFFAOYSA-N 400.398 1.798 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)cc1 1631001374 NEYGLHHTHYYSDG-OAHLLOKOSA-N 414.430 1.259 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 1632218804 KRECOJMSYFIUBK-IBGZPJMESA-N 402.472 1.923 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)COc1cc([N+](=O)[O-])c(C=O)cc1OC 1632228764 SHNGWSJFYARWJY-UHFFFAOYSA-N 406.391 1.598 30 10 HDEE C=CC[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1633797808 SYROHAZVWDIZSH-SSDOTTSWSA-N 410.066 1.427 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1634845806 WQLAPWOLMNIKII-WMZOPIPTSA-N 408.543 1.914 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(C)C)[C@H](O)c1ccccc1)c1cc[nH]n1 1635463849 GGZZRGXNSIHJLH-PKOBYXMFSA-N 402.451 1.568 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)/C=C\c1ccc(F)cc1 1637699346 UOXSJVAXUKOKPE-XGICHPGQSA-N 419.478 1.650 30 10 HDEE CN1C[C@H](CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1638502385 IWHLLJXIFSGTCZ-GFCCVEGCSA-N 405.296 1.742 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCn3cnc4c(N)ncnc43)CC2)c1 1640508816 AHXWFWFYRJMDIY-UHFFFAOYSA-N 404.478 1.451 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1643888282 JHONAUBIWVLCDC-QGZVFWFLSA-N 423.498 1.334 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2ccc(C#N)cc2)CC1 1644193496 BDMRSCIWIMUSMB-UHFFFAOYSA-N 421.501 1.752 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cn1 1645088536 WYEZPUISYCWLIV-OAHLLOKOSA-N 400.464 1.436 30 10 HDEE CN(C)Cc1nc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)co1 1647846228 PJTQFRKDIVBBLR-INIZCTEOSA-N 410.434 1.129 30 10 HDEE CN1CCn2c(CNC(=O)c3cnn(CCC#N)c3-c3ccccc3)nnc2C1=O 1651251824 CIDMAFWQZRDRMI-UHFFFAOYSA-N 404.434 1.071 30 10 HDEE N#Cc1ccc(NCC(=O)N[C@H](CO)c2ccccc2I)nc1 1653488340 QYTVXHNAXJOJBL-CQSZACIVSA-N 422.226 1.820 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1 1658659184 PDODVPDFCOCCQR-UHFFFAOYSA-N 409.494 1.969 30 10 HDEE C#CCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1659156042 DEMAYAATHQUISK-UHFFFAOYSA-N 401.282 1.915 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCCCNC(=O)CC2)CC1 1660620661 JUACYTOGCBJFCP-KRWDZBQOSA-N 403.552 1.449 30 10 HDEE C=CCN(CCOC)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1661761031 ZEDVCQQCJDJRPZ-SFHVURJKSA-N 412.508 1.488 30 10 HDEE C#CCN(C(=O)NCCNC(=O)c1ccc(Br)cc1)C1CCN(C)CC1 1667219689 GYFQTMNVRCUKMR-UHFFFAOYSA-N 421.339 1.918 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(CCOC)C2)c(C#N)cn1CCOC 1670018689 HSVJAIKCZZQPSV-OAHLLOKOSA-N 407.471 1.025 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C 1670882073 BTRCGXGHJFDRAQ-CABCVRRESA-N 403.545 1.922 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1684426049 SIOLOUKJXICSGV-KRWDZBQOSA-N 404.492 1.003 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1689849591 OFXQTOTVQMMRHD-JYJNAYRXSA-N 404.515 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1 1690045514 LUCIJJLQGFWLIW-FQEVSTJZSA-N 422.508 1.963 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCn3ccnc3C2)n1 1690109190 JTDIHNXYTNESIA-SFHVURJKSA-N 422.537 1.782 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCc2n[nH]c(C)n2)CC1 1690131927 ATGSAQZWAJDCFZ-UHFFFAOYSA-N 420.521 1.590 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)CCC)CC1 1690142924 YIQDSYKEDMOKBK-NRFANRHFSA-N 411.510 1.252 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690678535 ZKZQHRQIHSELRJ-HUUCEWRRSA-N 406.487 1.147 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(F)cccc1Cl 1692541914 CHIKHRLFBNXOHO-GFCCVEGCSA-N 406.849 1.986 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1693854155 CPZDTUADBUQJBV-FOIQADDNSA-N 415.519 1.822 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1698069930 DFEYNCMXDASYRC-SFHVURJKSA-N 420.477 1.020 30 10 HDEE C[S@](=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1698321267 DLAWAIDCHDROSU-QZXCRCNTSA-N 405.549 1.960 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@H]4C3)n2CCOCCCO)c1 1698484818 OOKUXANTVATKJO-IRXDYDNUSA-N 413.434 1.330 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705478426 BDOBWXFUPCSWPS-OXJNMPFZSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC12CC(NC(=O)OC(C)(C)C)(C1)C2 1705540525 CXIHEOCESGGXBY-UHFFFAOYSA-N 416.526 1.933 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccnc(-n2cccn2)c1 1705581989 PWLCXBCUNUGJSX-LJQANCHMSA-N 401.474 1.874 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705684806 CUBBDAPIBJVSFL-CQSZACIVSA-N 420.315 1.996 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705893819 HILGODOWZSYKIU-XWSJACJDSA-N 405.543 1.735 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1705900851 RSNDIIXTGJTGHN-OAQYLSRUSA-N 423.452 1.274 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC=C(COC)CC1 1705901248 GILYNLWDFRBZQJ-UHFFFAOYSA-N 414.466 1.091 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1706074988 HTLYHFCSTMKZGV-ZIAGYGMSSA-N 422.486 1.389 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1709900603 DBIGNGVUTKVQDU-CQSZACIVSA-N 418.523 1.164 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncn(C)n1 1712510497 KHOWWNAGEUICTA-HNNXBMFYSA-N 410.482 1.687 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1722296027 MXVSQAYIMUYDES-GOEBONIOSA-N 423.564 1.487 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OC 1722370130 HAHBPIDXXIUUMN-UHFFFAOYSA-N 401.430 1.450 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(SC)CCOCC2)CC1 1722438126 ZDNNOHSAOSYZCI-SFHVURJKSA-N 419.595 1.840 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CCC(N)=O)CC1 1722463237 ZDJTVSWGPBSQSJ-UHFFFAOYSA-N 418.567 1.249 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2cnn(C)n2)CC1 1722571503 CTGHXXUFSQIKEQ-WMZOPIPTSA-N 401.515 1.920 30 10 HDEE C=CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722601732 YXLFXBIBZAVVCP-SFHVURJKSA-N 419.489 1.320 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@H]1CCCOC1 1722726508 CEJJJWFSXQFCLO-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CC#N 1722730126 JLIOXVYUCZASEA-HNNXBMFYSA-N 405.528 1.479 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC(C)(OC)C1 1722731123 DYQSVRMRQOOXCR-UHFFFAOYSA-N 424.498 1.822 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722738199 CPXOOCSWAWDPOD-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1723691907 MEEDGDRXYPHACD-UWJYYQICSA-N 419.526 1.864 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1724011408 QBZMMBANIVJDBM-KUHUBIRLSA-N 414.491 1.823 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1730700007 ABGDVULWZPREEI-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1740575373 QYHVQMNSHAOCBN-LJQANCHMSA-N 411.531 1.694 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1740609215 XKRNHTYJQYPKNA-CVEARBPZSA-N 416.526 1.946 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)OC 1740664433 QCKCBGCQJRLIMQ-HNNXBMFYSA-N 405.524 1.690 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740686841 XICGNSKPJLYKBJ-MHORFTMASA-N 424.567 1.470 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@H]2COCCO2)CC1 1740704105 HSBHUQYHGSGNDD-KRWDZBQOSA-N 412.494 1.045 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@]2(O)CCc3ccccc32)CC1 1740705123 BHICXCNGBRJBFS-HSZRJFAPSA-N 407.518 1.640 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCOC2)CC1 1740706330 SEFFTVFKYGMSJY-HKUYNNGSSA-N 415.538 1.912 30 10 HDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1740747368 GRVQXYIXPZIUFH-AWEZNQCLSA-N 412.332 1.871 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@](C)(OC)C1 1740950804 HXKGVLZXUDTXEH-HXUWFJFHSA-N 406.531 1.504 30 10 HDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1747468901 YRNBOBKPPJXHEM-FNLTVNSOSA-N 415.519 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748671195 GWHFZGCWOHYQSF-WNRNVDISSA-N 423.583 1.137 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2[C@@H]2C[C@H]2CF)c1 1748692394 GMBWAILWANYDII-USXIJHARSA-N 410.453 1.816 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748833305 OHCGCKZDSSFHFX-SFHVURJKSA-N 422.514 1.171 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1748991243 UFYDHPBHYDSHSP-RTBURBONSA-N 413.570 1.105 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](COC)C1 1749134974 AUYALYPFSKMGAG-QKLQHJQFSA-N 419.526 1.233 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749193263 DKIMRRBQSJSEES-MSOLQXFVSA-N 404.559 1.785 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1749426874 JFQRLRWKQBTIIK-MOPGFXCFSA-N 416.570 1.881 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H]1c1nncn1C 1749671773 IPCUTHHNQNEXBZ-GOSISDBHSA-N 420.521 1.950 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1749703869 QLDOXNGRWXFPTM-IIBYNOLFSA-N 401.486 1.932 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CCn1cccn1 1749730705 NLRBQRNOLPHITB-UHFFFAOYSA-N 415.523 1.582 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1750179961 RPIBPTPGGJZBDL-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760181312 SDIXBXWISIGPRI-XLIONFOSSA-N 400.504 1.047 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760187470 JWRSQTLOPUDGIP-ABSDTBQOSA-N 424.567 1.698 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)CCC)CC1 1760279417 CSLORCIEMFMSMV-UHFFFAOYSA-N 413.551 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCNS(C)(=O)=O 1760296890 YTIAGKLNICSAAP-HXUWFJFHSA-N 417.535 1.419 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760525409 DZBSVRKUQYJBBR-NVXWUHKLSA-N 400.552 1.906 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1761544700 JFBOBAREMLMKEC-SUMWQHHRSA-N 417.482 1.940 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)N(C)C 1763166938 HAJXIPIGOUWYMU-SJORKVTESA-N 402.524 1.475 30 10 HDEE CCOCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1768076531 BLKDMJQWFJIIPG-HNNXBMFYSA-N 418.523 1.815 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1769385022 CDLUXPAOJRYGOA-OAHLLOKOSA-N 407.434 1.311 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1771109949 CIYJBEWERSTXFN-UHFFFAOYSA-N 405.466 1.852 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCC(C)CC1 1771222592 KHYDYSIVLOERQS-OALUTQOASA-N 420.558 1.853 30 10 HDEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772793482 VDVHXSXQZQSRJY-CQSZACIVSA-N 400.391 1.740 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C)C1=O 1848798744 LKPOHZDKKYFVMI-QGZVFWFLSA-N 407.536 1.508 30 10 HDEE N#CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1850278519 FHZZJNXHKUYCCP-UHFFFAOYSA-N 404.536 1.439 30 10 HDEE N#Cc1cnn2cc(CCCOC(=O)[C@H]3CCn4cnnc4C3)c(C(F)(F)F)nc12 1851308897 DFYWITNMSMNSAW-NSHDSACASA-N 419.367 1.950 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@H]1C(=O)NC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1 1852713510 XGJVASNLEFNBBO-DYVFJYSZSA-N 410.879 1.390 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)NC1=O 1853355407 UELYDGKEZCVTIH-LLVKDONJSA-N 402.838 1.322 30 10 HDEE Cc1nc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)cs1 1853659375 IMNXLIZLVRZBDA-LJQANCHMSA-N 409.515 1.882 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1=O)[C@@H]1CCN(C)C1=O 1854169344 UBGJSMBMAUPNJU-SJORKVTESA-N 409.446 1.196 30 10 HDEE CC(C)c1oncc1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854337153 RFNJIGXKUJGIDR-QGZVFWFLSA-N 409.446 1.959 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COCc2ccccc2)C1=O 1854351937 OPNMCPPFEPGMGS-WOJBJXKFSA-N 413.518 1.830 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1854497111 KYCJBPKVVDAKQH-OAHLLOKOSA-N 422.551 1.086 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1854557969 AUOHMQIUEYSDBC-PKOBYXMFSA-N 407.474 1.473 30 10 HDEE Cn1cncc1C(=O)N1CC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854865915 PRCMQRAFNXGLQX-QGZVFWFLSA-N 408.462 1.219 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1855598083 PNMKQWIRCHRIGE-QGZVFWFLSA-N 416.913 1.709 30 10 HDEE Cc1ccc2cccc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)c2n1 1856061789 IVUZSUWUYOMIEN-UHFFFAOYSA-N 400.460 1.460 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CCN([C@H](C)CCC#N)CC3=O)CC2=O)cc1 1856403834 CIWKTNBTMBCXAY-IAGOWNOFSA-N 412.490 1.801 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)C2(CCCCC2)C1=O 1856419754 AWXNNZAPSIZPSI-UHFFFAOYSA-N 411.430 1.941 30 10 HDEE N#CCCCN1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCC2 1856528014 MJUOQZPNQPKQOW-UHFFFAOYSA-N 421.494 1.887 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CC(Cn4cc(Cl)cn4)C3)CCC2=O)ccn1 1857338212 YVOGKFZZVCTADY-AWEZNQCLSA-N 412.881 1.814 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1857353620 AKBGOKAATQQPBM-AWEZNQCLSA-N 411.384 1.784 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1857353621 AKBGOKAATQQPBM-CQSZACIVSA-N 411.384 1.784 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCOc3ccccc3)CC2=O)cc1 1857438720 VKXDWEXOQHUPOK-UHFFFAOYSA-N 413.455 1.251 30 10 HDEE C[C@@]12CCC(=O)N1CCCN2C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1 1857458989 MCEYSXCGOOYRIF-CVDCTZTESA-N 408.502 1.910 30 10 HDEE COc1ccccc1CN1C[C@@H](CNS(=O)(=O)c2ccccc2C#N)OC1=O 1858027345 FDMNYSCZHQXHDP-MRXNPFEDSA-N 401.444 1.866 30 10 HDEE Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334877 KZCRMOZWVFDPCG-INIZCTEOSA-N 405.501 1.608 30 10 HDEE CCc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870143921 HQGRUTZJXUTHDH-UHFFFAOYSA-N 400.398 1.936 30 10 HDEE O=c1c(Cl)c(N/N=C/c2ccc([N+](=O)[O-])cc2)cnn1[C@@H]1CCS(=O)(=O)C1 1873529806 ZZSOAIJKOCKTHU-KOSUEXCASA-N 411.827 1.611 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc([N+](=O)[O-])cc2)CC1=O 1874341143 CCNGMAKXPKZZCC-LEBHLANCSA-N 418.479 1.877 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)CC1 1889484017 FMTDGCLOHBNOHS-UHFFFAOYSA-N 423.561 1.835 30 10 HDEE COc1ccc(N2C[C@H](NS(=O)(=O)c3ccccc3C#N)CC2=O)cc1OC 1891354220 COKVEULQMSLDIK-CQSZACIVSA-N 401.444 1.659 30 10 HDEE Cn1cc(-c2cnc(OC3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nc2)cn1 1891738719 PUFPLCAPDFMMOP-UHFFFAOYSA-N 424.486 1.981 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 1985007911 RXPQDVAUMLAXLN-AUSIDOKSSA-N 415.534 1.998 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC2CC(NC(=O)OCc3ccccc3)C2)c(N)c1 2044242838 AVLURIXAWSFFKP-UHFFFAOYSA-N 400.460 1.876 30 10 HDEE N#C[C@H]1CNCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br 2191770654 VRGFSXPOLQFGRM-QMMMGPOBSA-N 424.118 1.280 30 10 HDEE COC(=O)CS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1C 2202862676 YSPANCODSLLIFT-UHFFFAOYSA-N 403.693 1.862 30 10 HDEE Cn1nc(Br)c([C@@H](O)[C@@H](N)C#Cc2ccccc2Br)n1 2235732243 RSPULNYCYGNUMA-JQWIXIFHSA-N 400.074 1.753 30 10 HDEE C[C@@H]1[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247814009 NECJNRVMARBWSA-OCCSQVGLSA-N 420.319 1.837 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247836764 HWMKWTQWCJWLKA-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2247838918 PFHYBAKHGBEOQT-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCc3nccn3Cc3ccccc3)[nH]n2)OC1(C)C 2255631402 YIYYCDYHZZOIRM-UHFFFAOYSA-N 421.310 1.926 30 10 HDEE C=CC[C@@]1(CO)CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259484470 KFGYDIHSSLGHFC-FQEVSTJZSA-N 406.504 1.796 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H](O)C3)cc2Cl)OC1(C)C 2267702113 AVWYNILCIACMCP-SNVBAGLBSA-N 407.750 1.846 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1 2270510187 FHMQYAUVIKVJNM-GOSISDBHSA-N 416.455 1.878 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@H](N)[C@H](O)C3)c2Cl)OC1(C)C 2281950721 ZXVBZGCJIUQXJQ-ADEWGFFLSA-N 400.737 1.529 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CCCC3(CC2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2281972843 PPZNGOZYTIEDLH-CQSZACIVSA-N 405.304 1.525 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@]1(C)CN 2282334458 BMRWPIWKGCQYKO-PXAZEXFGSA-N 400.375 1.653 30 10 HDEE CCN([C@H]1CCCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342567 IYYUVBMFZNMFIQ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H]1SCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@H]1C 2282345191 YLNLSDYKXCDHMA-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CCC[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC 2282831526 AHIURLKWJLBLAA-GFCCVEGCSA-N 404.363 1.677 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3C[P@](C)(=O)C[C@@H]3O)s2)OC1(C)C 2282857824 NHXSUSYOLZEAPN-VLBDKCSNSA-N 421.286 1.062 30 10 HDEE C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877880 YGKHDEXYNLGEAJ-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284403497 SFXNJJHFITZSOR-NSHDSACASA-N 403.331 1.745 30 10 HDEE CCOC[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284468111 LZUGDLITEQNNFJ-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE CN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)CC1CC(S(C)(=O)=O)C1 2285277813 ZFCJSXLHSGGFCR-UHFFFAOYSA-N 400.375 1.697 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCC#CBr)(C(=O)O)C[C@@]12CCOC2 2306581096 AKTDURMKLXNNQO-CVEARBPZSA-N 403.273 1.555 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CC(CCC#N)C1)NC(=O)OCc1ccccc1 2315982003 DKHOQJBHIFUBMF-INIZCTEOSA-N 409.464 1.020 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173483 UIZABIRMDVROCQ-LIRRHRJNSA-N 401.525 1.971 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](C[C@H]1CCCO1)NC(=O)OC(C)(C)C 2365201552 ACEQWZOSMUPYCW-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2365204423 NJSHOKUGSBLYBM-JYJNAYRXSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367788789 BDVQUPOWHBCMHE-CVEARBPZSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367810197 UZSZVSUQPFZDLN-BEFAXECRSA-N 400.541 1.307 30 10 HDEE COc1cc(/C=N/Nc2nnc(SCC(=O)NC(C)C)n2N)cc(OC)c1OC 20919619 QKKNQWOCOKIKBB-UFWORHAWSA-N 423.499 1.080 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 111224075 MAXRVYMICCGSKY-CYBMUJFWSA-N 418.972 1.714 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 410205135 GVTQSMROECCRCR-PBHICJAKSA-N 423.514 1.247 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2cccc(O)c2)cc1 427119489 JREYWITUCKWQKB-QGZVFWFLSA-N 410.455 1.534 30 10 HDEE CN(CCNS(=O)(=O)c1ccc(Cl)c(C#N)c1)S(=O)(=O)c1cccs1 435209821 YUIJLFWISCNKOD-UHFFFAOYSA-N 419.937 1.872 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 439298311 AWICUARAHWPKHB-OTRWWLKZSA-N 401.419 1.914 30 10 HDEE O=C(Nc1cccc(C#Cc2ccccc2)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O 442280622 WWEOFBUVGSITHR-HXUWFJFHSA-N 405.454 1.124 30 10 HDEE CN(C)C(=O)C1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443524192 UUFHSEQCHQMWKY-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1C#N 461188124 DHHZMFDYAGYJAS-MAUKXSAKSA-N 410.503 1.586 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)CC1 467660780 YFECZFHVPOQZOE-UHFFFAOYSA-N 401.467 1.032 30 10 HDEE N#CCc1ccc(OCc2cccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)c2)cc1 476654366 BRNNOLPFZIRALC-SFHVURJKSA-N 421.457 1.539 30 10 HDEE COC(=O)[C@@H](c1cccc(Cl)c1)N1CCN(CC(=O)N[C@](C)(C#N)C2CC2)CC1 483468245 DMIUNZUSTHFLSI-TZIWHRDSSA-N 418.925 1.980 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)c(F)c1 483546087 RWTXLUBYZNIHCC-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE COC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 484349599 JOXUUXMLNXTHCJ-UHFFFAOYSA-N 402.842 1.720 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ncc4ccccc43)CC2)cc1 499768097 XINFKVGUXGNXTQ-UHFFFAOYSA-N 409.471 1.441 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 508920023 ILCOYFYBKJLRKG-UHFFFAOYSA-N 400.483 1.903 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](NC(=O)c2ccccc2)c2ccccc2)CC1 512705964 SMPBHQANMATXFI-QFIPXVFZSA-N 420.513 1.604 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 544202422 YSHNAAWJTSYRON-QGZVFWFLSA-N 422.441 1.444 30 10 HDEE COC(=O)c1ccc2c(O)nc(CN3CCN(c4cccc(C#N)n4)CC3)nc2c1 545502164 AWNXDPATMAAIKT-UHFFFAOYSA-N 404.430 1.711 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)CC2 559474772 CUNBTIQCAYCPEU-RCCFBDPRSA-N 415.515 1.557 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)S(=O)(=O)CC2(C#N)CCCC2)CC1 570755113 YXGJXFVJKMXIEZ-OAHLLOKOSA-N 405.586 1.782 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC1(C#N)CC1 578803302 QTAIRAVEERYRIY-UHFFFAOYSA-N 406.508 1.055 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(CN3C(=O)c4ccccc4C3=O)c2)CC1 578909862 OJDCSUTYHLUBPU-UHFFFAOYSA-N 416.437 1.681 30 10 HDEE COC(=O)COc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 609679123 OPBKQLOWUWKVEG-UHFFFAOYSA-N 409.446 1.537 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 669808013 VFBVVFVQPFSACX-CQSZACIVSA-N 412.560 1.159 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](CO)CC2CCCC2)cc1 677972131 GUIYLPDHGFBPHJ-QGZVFWFLSA-N 423.535 1.489 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[C@@H]1CCS(=O)(=O)C1 729332159 KVRNDKWMCKUWEO-IEBWSBKVSA-N 400.500 1.177 30 10 HDEE C#CCN(CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@@H]1CCS(=O)(=O)C1 731213712 PBUONBLJIZMWAI-UTKZUKDTSA-N 420.531 1.393 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1cc(Br)ccc1F 731850984 BDPMTQPWESACTK-YPKPFQOOSA-N 418.244 1.393 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)c2c(c1)OCO2 732152922 HIHSIVULTQWACI-SSZFMOIBSA-N 408.208 1.434 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732651186 ZAYRKMKBSXFASB-HNNXBMFYSA-N 408.499 1.667 30 10 HDEE N#C[C@@H](C(=O)CCC(=O)c1ccc2c(c1)CCCC2)C(=O)N1CCS(=O)(=O)CC1 732909785 GPKGTUTZILITJT-SFHVURJKSA-N 416.499 1.494 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 734919413 LYWNGEICEQJUFH-NUTKFTJISA-N 403.435 1.158 30 10 HDEE CCn1c(COC(=O)c2cc(C#N)cn2C)nc2cc(S(=O)(=O)N(C)C)ccc21 751725297 TVRMTNZPOXKNFP-UHFFFAOYSA-N 415.475 1.874 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752157371 MRIXSUDKEJRCCF-ZDUSSCGKSA-N 421.500 1.417 30 10 HDEE Cc1ccc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OC[C@@H]2CCOC2)c1 755590148 QORVPKLRSYAPPE-YIYXVTKBSA-N 413.474 1.943 30 10 HDEE O=S(=O)(Nc1nncs1)c1ccc(NN=Cc2cnn3cccnc23)cc1 755770026 ZMXFGGGSDWWTCX-UHFFFAOYSA-N 400.449 1.828 30 10 HDEE CS(=O)(=O)c1csc(C(=O)[C@H](C#N)C(=O)Nc2ccc3c(c2)OCCO3)c1 767431120 DFULSBAMOUAUOT-LBPRGKRZSA-N 406.441 1.884 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1nc2ccccn2c1=O 769717210 YKMOQKJIANMTMD-UHFFFAOYSA-N 403.192 1.744 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 779953266 DSLADCUHLMUYCD-AWEZNQCLSA-N 407.883 1.728 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](Cc2ccncc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 782566497 KNHIYAZQLPTFKM-WBVHZDCISA-N 412.515 1.990 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCN1C1CC1 786316779 ZMZGYHOWUZKAEF-JTQLQIEISA-N 413.222 1.865 30 10 HDEE CN(CC(=O)OCc1ccc(C#N)c(F)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 791393542 ZLDSSVBJKLYIDC-UHFFFAOYSA-N 407.379 1.969 30 10 HDEE CCO[C@@H]1C[C@]2(NC(=O)N([C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2=O)C1(C)C 794796169 SSRSULARSSDBGS-DIMHRPKISA-N 406.483 1.871 30 10 HDEE N#Cc1ccc(NCCNC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)nc1 804959636 LDCXMTLWZSTXFM-UHFFFAOYSA-N 415.885 1.951 30 10 HDEE C[C@@H]1COCC[C@H]1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809123726 JEQCZJKMTZGBNV-PSASIEDQSA-N 405.245 1.937 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 810268881 MCOWIGJISQWVDV-UHFFFAOYSA-N 416.478 1.761 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](c2cnn(C)c2)C1 849547544 IRDWJACAJWCWFB-BHIFYINESA-N 406.534 1.692 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)cc1 1083909590 JMWUGIFPBANKGT-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE COc1cc(C=NNc2nnc(SCC(=O)OC(C)C)n2N)cc(OC)c1OC 1084437689 KZHJDLTVHPVPAY-UHFFFAOYSA-N 424.483 1.507 30 10 HDEE CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136931289 VIHQUGUKFQOKOM-UHFFFAOYSA-N 413.434 1.976 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC)cc1 1138215145 VKXXCOWZXFNELB-SFHVURJKSA-N 401.488 1.238 30 10 HDEE C=CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1138239149 SMKVOVODDSTXCF-SFHVURJKSA-N 424.457 1.400 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)c2ccc(OC)cc2)c1 1141961266 BEJHPQWARDJZTF-KRWDZBQOSA-N 404.488 1.665 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1143729957 GCUIGKHHQVJZBE-INIZCTEOSA-N 414.487 1.803 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)c2cccc(C(F)(F)F)n2)CC1 1144025905 GVIOUAPEERCTKV-UHFFFAOYSA-N 410.440 1.662 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCOC[C@@H]3OCCOC)n[nH]2)c1C 1154565779 JNKYAQQRHWYPTC-YJBOKZPZSA-N 403.483 1.626 30 10 HDEE CSCC[C@H](C(=O)NCC#C[C@@H]1CCCCO1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1158986775 RHDFDFMHWDQQPY-WNRNVDISSA-N 406.548 1.972 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1162121808 PQVGTZLOFOUNIO-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C1CC1 1164062357 XIORUJQXCCWSDS-JKSUJKDBSA-N 419.503 1.163 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1 1168222337 CAVYLFWZIUYMFU-QGZVFWFLSA-N 404.536 1.730 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](Nc4ncccn4)C3)ccc2c1=O 1183763433 OTWJQWNQQOMBFY-CQSZACIVSA-N 408.487 1.988 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@H]1CN(C)CCN1C 1213799316 AXURGYYQTNCKOV-XHDPSFHLSA-N 401.330 1.233 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cnc2OC(C)C)CC1 1217853923 YGQGGWXGWWMELU-UHFFFAOYSA-N 415.903 1.139 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1248377255 HHCJMAHNKGLMPP-HNNXBMFYSA-N 410.515 1.394 30 10 HDEE C#CCCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1265105119 QCVQBNKYLGXWCY-UHFFFAOYSA-N 417.443 1.705 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccco2)C1 1286317787 QROIKHICMCQOCQ-WBVHZDCISA-N 421.523 1.863 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1286366010 QIUHQPROGFWBLP-UHFFFAOYSA-N 411.491 1.004 30 10 HDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC 1286399883 QFWHTUIDWJBMJV-UHFFFAOYSA-N 411.531 1.370 30 10 HDEE C=C(Br)Cn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1286540602 BTAFUDWFUORPCA-UHFFFAOYSA-N 420.377 1.857 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1286552947 BPGVELJLJYPWDX-SCTDSRPQSA-N 419.526 1.058 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCN(C)C1 1286971012 GJMIJHUDZCAGEX-LHUKNYEISA-N 404.559 1.859 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1289954166 KFHLDUXVEJXFJR-IFXJQAMLSA-N 412.429 1.079 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCO)c(OC)c2)c1 1291756925 PFPUKXYUOKMNQN-UHFFFAOYSA-N 417.483 1.793 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)cc1 1295426855 DXSIDJQFSDAPNG-SFHVURJKSA-N 419.503 1.274 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1297054595 TWLDDDYAOPATME-INIZCTEOSA-N 411.466 1.311 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1299178723 IUMRBCSOAJWDFD-TVQRCGJNSA-N 407.220 1.115 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1300509291 IYJYREHOALEAAO-XAUMDUMWSA-N 419.551 1.166 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H]2CC)CC1 1300699796 HWXRZMSFWVQTRH-GUDVDZBRSA-N 419.595 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300881167 MROXMSIGWDIVEQ-VYDXJSESSA-N 418.523 1.340 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301152234 WTGMVEUHSILKHT-JKSUJKDBSA-N 421.567 1.594 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1301424182 IBSXKRSPQBFFGY-MRXNPFEDSA-N 407.515 1.441 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@H]2CCOC2)C1 1301539102 NSFMCICLMDMWNW-BZUAXINKSA-N 413.544 1.096 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)C1 1302487695 LZGKFXYJWQUCAD-HNNXBMFYSA-N 418.523 1.509 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1 1302921561 KKMDWFXBIIZOSK-ARJAWSKDSA-N 402.303 1.618 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccccn3)CC2)n1Cc1ccc(C#N)o1 1303403725 FLCSPADPFWLQTR-UHFFFAOYSA-N 420.477 1.651 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F 1303626979 AWSNVCZGTOPJRC-NSHDSACASA-N 406.397 1.045 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC3(CC(=O)OCC)COC3)ccc2c1=O 1304524228 GCFFIMANBVYIQB-UHFFFAOYSA-N 403.460 1.323 30 10 HDEE C[C@H](NC(=O)[C@H](C)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(S(N)(=O)=O)cc1 1308116729 JCJTZWYMIPABEM-GJZGRUSLSA-N 421.519 1.237 30 10 HDEE C#CCN(C(=O)Nc1ccn(C(C)(C)C(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1311036284 QFZTZYCHKUVZOW-AWEZNQCLSA-N 424.523 1.614 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)C1 1320322275 UPFIQXGTPWTDJY-HXUWFJFHSA-N 414.550 1.609 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1358872905 ZWYXKGNFMFZCFP-YZVOILCLSA-N 405.524 1.254 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1358891021 YMGIHLHKVLMRNW-RHSMWYFYSA-N 415.519 1.645 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN(C(C)=O)C1 1358982416 WJTCZGJXCVIXGE-FQEVSTJZSA-N 407.522 1.471 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359056245 BBSBLYPAQRANSL-QRVBRYPASA-N 419.595 1.695 30 10 HDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1359123987 AWPCIITYNAJOJN-UHFFFAOYSA-N 410.478 1.776 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1359238002 VLXOSZPEMSADAG-OAHLLOKOSA-N 413.448 1.954 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359293585 URGIWAONLCEJGL-ZWKOTPCHSA-N 424.505 1.763 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)CC1 1359310177 OTNGBWUEJMWQSS-INIZCTEOSA-N 415.519 1.411 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1436929079 NNEQTIPAEUGTPA-WFASDCNBSA-N 417.325 1.777 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)co1 1437803879 QSHMGPFNZJOVFA-UHFFFAOYSA-N 403.460 1.837 30 10 HDEE Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439610983 FAEOHHUXTQKGSD-ZANVPECISA-N 410.805 1.261 30 10 HDEE CS(=O)(=O)c1ccc(/C=C\C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 1440745732 LTXQQKDBJXBHGU-XQRVVYSFSA-N 416.459 1.782 30 10 HDEE Cc1ccc(C(=O)NCc2ncccc2Br)cc1S(=O)(=O)NCC#N 1457213500 RROHHYBVCUALAG-UHFFFAOYSA-N 423.292 1.884 30 10 HDEE C[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Br)cc1OCCCO 1458406373 JYSMYAADFNOCCA-SNVBAGLBSA-N 423.267 1.642 30 10 HDEE COC(=O)c1ccc(N2CCO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)n1 1458729680 TWEWCBBEALPWQT-HXUWFJFHSA-N 402.451 1.956 30 10 HDEE CC(C)(C)OC(=O)C[C@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1461339551 BNWGNBVKANWACM-CQSZACIVSA-N 421.519 1.838 30 10 HDEE COc1cccc(/C=C(/C(=O)NCc2ccc(C(=O)NO)cc2)n2nnnc2C)c1 1467528571 ZGBKNEDKJGSLSF-WQRHYEAKSA-N 408.418 1.424 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)C1 1469377572 WHISQFGLZLDQPY-ROUUACIJSA-N 400.523 1.927 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 1471028838 DJCMJTLYIRYSPS-CWVNLOTRSA-N 406.483 1.475 30 10 HDEE CS(=O)(=O)c1ccccc1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 1471299156 TXSZOJXDMMHMCA-UHFFFAOYSA-N 413.503 1.431 30 10 HDEE CSCc1noc(CCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)n1 1472618684 CTXFFJONPNQRPI-UHFFFAOYSA-N 404.448 1.769 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCO1 1473683236 NYWBLEDQYZZMNW-YCRPNKLZSA-N 403.479 1.944 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1478917026 KKILBXMHYVHKKG-ZDUSSCGKSA-N 400.401 1.212 30 10 HDEE CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1501881627 SFJSTFPMCZPRLS-UHFFFAOYSA-N 408.466 1.786 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H](C)C#N 1503808008 IBSSZQQJWCUEGZ-LLVKDONJSA-N 408.304 1.778 30 10 HDEE COCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1504832379 YPRZYCRONFPAJA-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1505127000 QCQNJWOTBXBAIV-AWEZNQCLSA-N 419.507 1.698 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1507512005 BOEPZAHTOYJOOB-HNNXBMFYSA-N 404.515 1.839 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1507536753 DUMUQKTXETWZTE-NVXWUHKLSA-N 404.540 1.542 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1507564761 WEZQQXKMXPGCJD-QZTJIDSGSA-N 405.568 1.658 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCNS(C)(=O)=O 1507602567 OOXWOZPFOWLYDU-UHFFFAOYSA-N 401.536 1.757 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507666335 FUTGQJIYUQIQSA-KRWDZBQOSA-N 414.535 1.028 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H](C)C1 1507764445 MIMACGHNXWJMDZ-PASDCYSWSA-N 409.556 1.696 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)CC1 1507873447 KOOPFFQJJHNFKZ-RDJZCZTQSA-N 421.933 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1508132258 WFODWQVWEUIWPJ-OWCLPIDISA-N 409.556 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1508139507 BKWLYSITIBPXEU-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCNC(=O)CC1 1508142792 BKAILKAGTLIRDA-UHFFFAOYSA-N 417.535 1.104 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1509716547 MQCUSMBYSULLFM-INIZCTEOSA-N 413.438 1.497 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1Cc1ccc(C#N)o1 1512932949 HDLGCLIODOVPBG-CYBMUJFWSA-N 411.466 1.825 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2[C@@H]2C[C@H]2CF)c1 1519515229 YFHJNGQIDLPKGI-OFQRWUPVSA-N 405.455 1.608 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)nn1 1523433832 GNTFDYYHRZBFRW-UHFFFAOYSA-N 413.463 1.924 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 1524968683 ZPGCLOMXUXQTAB-MRXNPFEDSA-N 417.510 1.333 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1CSc2ccccc2O1 1529660059 BXRNZWIHSVUMAZ-ZDUSSCGKSA-N 417.512 1.785 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CSCC(=O)N2)c1 1534268687 QAXKBDMXEKNXRK-UFPHYQGISA-N 424.548 1.450 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)NC)c1 1539340870 UWAOVWOEVKHIJD-UHFFFAOYSA-N 408.506 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H]1COCCO1 1539420726 KMTLDMXFPUGEJO-GOSISDBHSA-N 402.499 1.031 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(Cl)c1 1539675329 QPJFPBHEBAXMRE-UHFFFAOYSA-N 419.894 1.941 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C1CCOCC1 1539806896 DJVULMHTRRCSNL-CQSZACIVSA-N 407.264 1.719 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1539888098 KZEQWKKQIWYFNC-LJQANCHMSA-N 402.543 1.349 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1)C1CC1 1540107078 HTFZIDFWZKIQAY-CQSZACIVSA-N 400.508 1.876 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 1540590784 AKAUFWKCEHAWMH-INIZCTEOSA-N 415.494 1.347 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1540862072 QJSNLADCGAPKOW-JQHSSLGASA-N 402.499 1.982 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CCn1cccn1 1540872481 QQLOOKVZCPBVBE-UHFFFAOYSA-N 415.448 1.782 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC)C1 1540888733 XCUNXZGRXUMEIZ-MRXNPFEDSA-N 413.478 1.634 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 1543462411 LUGLQSKZSSJYAG-INIZCTEOSA-N 407.536 1.695 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C(=O)OC 1556375677 PDGWUEFKRPTSIX-CJNGLKHVSA-N 422.482 1.496 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O)c1cc[nH]n1 1556431291 SHOOKEFWBNGVBO-CWLKWCNXSA-N 420.510 1.872 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1556854137 GKPCOQBKKLEZEZ-UHFFFAOYSA-N 420.477 1.295 30 10 HDEE O=C(NCCNC(=O)c1ccc(Br)cn1)c1cccc(C#CCO)c1 1557469456 RNLWSGCYDCXPLJ-UHFFFAOYSA-N 402.248 1.348 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1559017620 SXROOIGESBCCGG-UHFFFAOYSA-N 403.464 1.243 30 10 HDEE C=C(C)CS(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 1561810278 RHNHBWPMYQSULJ-UHFFFAOYSA-N 408.265 1.109 30 10 HDEE COc1cc(CNC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)ccc1C#N 1564714621 YVZXYZYGSKQJQW-GUDVDZBRSA-N 414.506 1.908 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)F 1569441242 KUDFVAXDUFYTHT-NLPIWRNCSA-N 416.425 1.568 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1584575309 PFAQXASTEMTVDL-UHFFFAOYSA-N 422.488 1.533 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@]4(CCSC4)C3)C2=O)cc1 1585722111 DKIYPEZYWPZZGP-OXJNMPFZSA-N 414.487 1.498 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1587574700 KQLMXRRCEBRCQO-CQSZACIVSA-N 422.938 1.996 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1587706952 VARDBMXETJSOSO-HOTGVXAUSA-N 419.555 1.419 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1588053508 FHUAMVWKYMXVFH-DLBZAZTESA-N 419.507 1.491 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588074337 MAIIYFKFHOHYSP-BSDSXHPESA-N 422.551 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1588139721 QNVSGVVWOKRSIR-HNAYVOBHSA-N 418.544 1.222 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ncc(CC)s2)CC1 1588752374 QZUSGPGPFIAJLR-INIZCTEOSA-N 418.567 1.825 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1588806267 LHOVQTDMYZLNNH-HDICACEKSA-N 400.571 1.799 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCC2(C)C)CC1 1588811683 MILVZBHVYYYIAW-MSOLQXFVSA-N 419.595 1.762 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1594807008 BHSWBWWAOMCENU-AWEZNQCLSA-N 423.477 1.498 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2CC1 1595466963 NUOFYASYCGOYNB-UHFFFAOYSA-N 408.506 1.422 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)n(C)c1 1595856663 ISTZEABLPWJZDB-UHFFFAOYSA-N 412.475 1.644 30 10 HDEE CC(C)n1ncc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1I 1596810493 UHCLBOZJUNIQOB-LBPRGKRZSA-N 413.263 1.881 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2([S@@](C)=O)CC2)CCOC1 1610334892 FYFGRFHOBYTBBQ-TXVWTZBPSA-N 409.556 1.968 30 10 HDEE Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1C 1612144316 DTHASSXPZVAKHC-UHFFFAOYSA-N 406.446 1.923 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(C#N)o1 1613601949 AQTPQXNIUAAXAE-DYVFJYSZSA-N 400.483 1.917 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1615099478 OZCWJKRQUZMDLC-MSOLQXFVSA-N 416.489 1.957 30 10 HDEE CCO[C@@]1(c2nnc(N(CC)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1616169343 JSGOXHUOTZFIMW-DHQBXBPASA-N 418.498 1.303 30 10 HDEE CC1(C)NC(=O)N(CC(=O)Nc2ccc(C#N)cc2I)C1=O 1616826888 KWYXDIBUYHYITQ-UHFFFAOYSA-N 412.187 1.432 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)C#N 1617348491 HFJUCEALCQYTDD-CVEARBPZSA-N 412.560 1.440 30 10 HDEE Cc1cc(Br)c(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1617488358 XIVQDEKXFHZYIM-BONVTDFDSA-N 401.257 1.907 30 10 HDEE Cc1c(C(=O)N2CCO[C@](C)(C#N)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1617894533 FABOGWOIIWDZMK-HXUWFJFHSA-N 418.498 1.913 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1618479615 FZOWTEKJCIJOPC-MRXNPFEDSA-N 407.478 1.010 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncn(C)n2)c1 1619130396 ARCUKFCMYATGQE-IBGZPJMESA-N 412.429 1.581 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)cc1 1619321900 AQBUOWLQPMMCRY-QAPCUYQASA-N 400.483 1.545 30 10 HDEE Cc1cc(C2(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOCC2)on1 1624819548 MIOWSIYQMQZXPI-LSDHHAIUSA-N 404.467 1.907 30 10 HDEE CN(C)C(=O)/C=C\C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1627453909 CPUPJUJHJBWTLZ-XITLMJRVSA-N 405.296 1.802 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 1628547935 JETVICPCANSDET-UHFFFAOYSA-N 407.492 1.923 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@H]1CN(c2ccc(Br)cc2)C1=O 1629165109 MVUQLBYKLBEKGL-ZDUSSCGKSA-N 401.220 1.875 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1630397026 KQYHGWJQGFETQI-SJLPKXTDSA-N 406.504 1.588 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1631072870 NHYRCVSBQGNSJP-HNNXBMFYSA-N 410.492 1.061 30 10 HDEE C#CCC1(O)CCN(C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)CC1 1633140612 GOVJXFYUHSWFON-UHFFFAOYSA-N 407.426 1.983 30 10 HDEE N#Cc1ccc(C2(NC(=O)N[C@@H]3CCO[C@]4(CCS(=O)(=O)C4)C3)CCC2)cc1 1633615246 RPDRXYVSZWJPJD-IEBWSBKVSA-N 403.504 1.973 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3Cl)c2C)CC1 1636480365 OCDBIHNYHMGFIL-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE COC(=O)c1ncoc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1636557482 FFESCGAALTYCMM-NSHDSACASA-N 402.794 1.656 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1636606563 IWBQOJNPPZYDFS-UHFFFAOYSA-N 414.440 1.127 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)C1 1637077440 WPSFVTHNFGNHOS-WBVHZDCISA-N 402.451 1.232 30 10 HDEE C#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 1637344734 GRHMFKDMNOELNF-IRXDYDNUSA-N 401.825 1.944 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC(n2nncc2I)CC1 1637389747 LKJNDXDOFLPNBR-NSHDSACASA-N 417.251 1.268 30 10 HDEE COc1ccc(Cl)cc1C(F)(F)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637512701 CFLBPRKGPALYLZ-UHFFFAOYSA-N 410.764 1.658 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N[C@@H]2CCCN(O)C2=O)CC1 1637667139 ABZFODNDLIIZAL-CYBMUJFWSA-N 408.455 1.899 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OCC)[C@@H](O)c1ccncc1)C(=O)OC(C)(C)C 1642009685 BYZODUBCGOXMSO-IRXDYDNUSA-N 405.451 1.033 30 10 HDEE CC(C)OCCOC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 1642551104 RDQABFYNBUGNRU-MRXNPFEDSA-N 423.535 1.658 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H](CN=c2nc[nH]cc2C#N)C(F)(F)F)CC1 1642614568 CNLVWOXNEVIFSC-CYBMUJFWSA-N 400.405 1.666 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2COc3cccc(Br)c3C2)c(=O)nc1O 1643350994 NYDDOPBESPBROI-LLVKDONJSA-N 419.235 1.093 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CC1 1645771758 DCTCRMLHOKKJTN-UHFFFAOYSA-N 416.927 1.808 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC3(CC2)CNC(=O)O3)C1 1645864250 VXSYYMPRKTXPFE-UHFFFAOYSA-N 419.279 1.858 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1650951943 WFAKTNBUTUCTMC-UHFFFAOYSA-N 420.531 1.473 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1650974744 OICWZNNGJFNPAA-FPCVCCKLSA-N 416.540 1.100 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 1652760925 GYYRFBNQXRGBNJ-HNNXBMFYSA-N 405.414 1.776 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)CC2)nc1 1653731817 HHHPUFUHLWUXEK-UHFFFAOYSA-N 403.395 1.038 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)CC1(C#N)CCOCC1 1653802319 AXHIHXNTAQNDPQ-HXUWFJFHSA-N 416.522 1.465 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2cccc(S(=O)(=O)NC)c2)c1 1657933285 VMOKUXVXBAZJPY-CQSZACIVSA-N 414.487 1.575 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1662444470 UFABSICLKSFSNY-CYBMUJFWSA-N 402.266 1.649 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@H](C1CC1)[C@]1(CO)CCCO1 1663558124 CWDSQPYYEUMOEN-HZPDHXFCSA-N 415.309 1.919 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C1CCOCC1 1664580081 PFKBVNNGROYFEU-OAHLLOKOSA-N 405.925 1.591 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 1666603711 ILSVMAXTSYWVHB-INIZCTEOSA-N 424.544 1.350 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1668896657 FMZAMZYOXSJGLX-YJBOKZPZSA-N 422.503 1.200 30 10 HDEE C#CCOc1ccccc1NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1668938818 HMEQVDVRUAYSEA-UHFFFAOYSA-N 416.503 1.946 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(c3ccncc3)CC2)c1 1670964842 KGDCMCXNUNSTEX-UHFFFAOYSA-N 400.504 1.898 30 10 HDEE C#CCN(C(=O)NC[C@H]1C[C@@H]2COC[C@@H]2O1)C1CCN(C(=O)OC(C)(C)C)CC1 1675911904 OWNVOSHXBGKOGE-NXHRZFHOSA-N 407.511 1.835 30 10 HDEE C=CCC1(C(=O)N2C[C@H]3CC[C@H]2CN3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1678752649 VLUYTZNGBJEFOA-PHUPPTAPSA-N 400.519 1.985 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(S(=O)(=O)c2ccc(C)cc2)CC1 1680908846 CUFIAFKCWAFUED-UHFFFAOYSA-N 414.549 1.544 30 10 HDEE CCN(CC)C(=O)CN1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1687594718 HFDZSUFUCNLMLO-UHFFFAOYSA-N 403.552 1.976 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1689824530 RJDAZULDAMYAPE-SFHVURJKSA-N 422.533 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1689834170 YSUQOHVIEHIKFK-CQSZACIVSA-N 413.507 1.342 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1689924709 QNCFNGBKOKNQKD-UHFFFAOYSA-N 401.478 1.685 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689986293 MTKHIFAKUBBKLG-OXJNMPFZSA-N 417.535 1.374 30 10 HDEE C#CCN(c1nnc(CC)n1CCCC(=O)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689992975 SFIOHTXGXYYTKY-INIZCTEOSA-N 409.556 1.116 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC[S@](=O)C(C)(C)C 1690105055 QXFUVZCCGJEGHV-NDEPHWFRSA-N 403.552 1.897 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NCC=C)CC1 1690134944 LZGPMXNBAIVGGF-IEBWSBKVSA-N 414.554 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCc2nnc(C)s2)CC1 1690137428 YRNVOTHGTRWNIU-UHFFFAOYSA-N 415.567 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1690138367 ZTKNAACYGFEKMI-LJQANCHMSA-N 400.571 1.920 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1690265296 MCAGMVLJWNQVTK-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1690290346 CTYHOIGGCJFRBD-UHFFFAOYSA-N 406.494 1.965 30 10 HDEE C=C(C)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1690296901 VGFBUVSSGFRINP-SFHVURJKSA-N 400.545 1.766 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1690300672 HXJCBMVXVCGWQP-JYJNAYRXSA-N 415.560 1.485 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1690311447 KXUSTWGSNRWVKF-SFHVURJKSA-N 415.542 1.825 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690490202 SCHZZOFEJLCFLO-INIZCTEOSA-N 409.556 1.770 30 10 HDEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCS(C)(=O)=O)C1CC1 1690544973 GSHNTGHBCRJXMP-QGZVFWFLSA-N 404.492 1.990 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(C)(OC)C1 1690720838 SWLMQCWVSPFWRY-UHFFFAOYSA-N 420.491 1.500 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](COC)C1 1690722368 GYNCQPSZGCMWCP-OAHLLOKOSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690723627 XDJKAZPXKFVZHZ-HXUWFJFHSA-N 423.583 1.447 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1691002977 ABHJFQKPZLKRTN-HOCLYGCPSA-N 422.555 1.397 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1694327980 VMYOCGHHRIPKIM-VLIAUNLRSA-N 419.505 1.553 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CCC1 1695919042 GYOBZEVSWPZPSJ-HZPDHXFCSA-N 402.499 1.555 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1O 1697450306 FOLMBELWQWNHAN-DZGCQCFKSA-N 419.507 1.539 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1705575738 VQTQJWFSGWMRCX-IBGZPJMESA-N 421.501 1.950 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1705634700 GKWUEUVHIXTKFV-GHTZIAJQSA-N 401.511 1.031 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C)C1=O 1705666270 AKMIWNFNMUORGG-LEWJYISDSA-N 407.478 1.396 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1705835105 ZWAQKGZOADOIHQ-SCLBCKFNSA-N 411.528 1.628 30 10 HDEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC)C1CC1 1705855175 XBSDQKLAUDSZMY-KRWDZBQOSA-N 419.507 1.495 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnnn2C)C1 1705917788 XTEJTJYNTHEXMK-FXAWDEMLSA-N 417.514 1.277 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCOC2)C1 1705920648 BUMMFILKMPEMOF-KXBFYZLASA-N 405.886 1.926 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1705938539 BMEZLDLAMXMPSH-UHFFFAOYSA-N 408.572 1.784 30 10 HDEE CC(C)Cc1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706399471 HZHLAQCAOFSYIK-VHEBQXMUSA-N 402.499 1.212 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](COC)OC 1708476827 ATHIKORBHZWHMW-CJNGLKHVSA-N 400.483 1.988 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1710308865 UJRZIKJWOCABIG-CALCHBBNSA-N 410.478 1.541 30 10 HDEE COC(OC)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1711581597 GQCCNLBRUKMCLN-SFHVURJKSA-N 423.477 1.747 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1712639816 LMBGRNXKEXUJOC-YEWWUXTCSA-N 423.880 1.994 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1712704235 WYPOPCHWDVOXIO-MRXNPFEDSA-N 411.528 1.321 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)C 1722284525 YMOAXQMEZRTGFG-OAHLLOKOSA-N 407.482 1.293 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@H](O)C2)CC1 1722448171 VBEDPRADFJNBDT-HKUYNNGSSA-N 401.555 1.994 30 10 HDEE C#CCSCCn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1722464742 QNMVSSYESJBHQQ-LPHOPBHVSA-N 410.540 1.148 30 10 HDEE C=CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722686526 FKODVROGMPXCQJ-CRAIPNDOSA-N 408.462 1.677 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722694653 CUSJTWNKGMCMFV-JKSUJKDBSA-N 408.418 1.233 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1722699175 CVVXBQGWMUAJNE-AWEZNQCLSA-N 418.929 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722727218 MWQLRBVBVBZCOS-OXJNMPFZSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCCO1 1722729650 SJFSXXPBUGDQEN-GOSISDBHSA-N 419.551 1.870 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCCN1CCOCC1 1723579224 XTIOFAFNANUGKP-UHFFFAOYSA-N 403.531 1.269 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC[C@@H]1CCOC1 1723581997 APSVFOLYXCYVHF-SFHVURJKSA-N 418.542 1.990 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1728265063 AKSIJXFNQZHKOV-KRWDZBQOSA-N 414.466 1.073 30 10 HDEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1730642008 HOHKADWMCYCRIB-CXAGYDPISA-N 414.507 1.147 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCO[C@H]1C 1730760866 CXBVCYORLQDDMW-JXFKEZNVSA-N 400.483 1.555 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1730953750 AHAJQACKPUFUER-MZRZTIOWSA-N 417.466 1.232 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1735496548 KOSBPXTZWUOWCD-PDQKVPEZSA-N 403.523 1.380 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCc2n[nH]c(C)n2)c1 1740563086 QLVDDUNCWWHKMG-UHFFFAOYSA-N 404.478 1.881 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1 1740640989 BBCMXWSEHYFYSU-UHFFFAOYSA-N 407.474 1.539 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1740721026 VAHNNECNUMJMNU-CQSZACIVSA-N 404.565 1.702 30 10 HDEE C#CCSCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740722973 NSRQVLYDXXXJPY-HXUWFJFHSA-N 421.567 1.402 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740782237 ILVSSIRGEWDRII-ROUUACIJSA-N 402.543 1.491 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C(N)=O)CCOCC2)CC1 1740829848 MTUGDIFHCGVQBE-IRXDYDNUSA-N 419.526 1.441 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCOC2)C1 1740981275 MXWHHCADFKTLRO-GCJKJVERSA-N 414.506 1.810 30 10 HDEE CC(C)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1741623480 HBIVEUVTXYVNSR-ULQDDVLXSA-N 401.515 1.078 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1CCOC1 1741918421 BBQGPXKGSLPCNC-GDBMZVCRSA-N 410.544 1.445 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1748054843 BXORRCVXWMZZSG-XHSDSOJGSA-N 401.515 1.078 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1748717717 GXVQDZJMFQARPP-RDJZCZTQSA-N 407.540 1.041 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748824109 JBMOVLOHUZSDCD-UONOGXRCSA-N 418.466 1.386 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1748984290 PQESCGHHUNBYOT-LJQANCHMSA-N 422.533 1.624 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)c2ccccc2)CC1 1748994781 QRXMBLSCJCRXIP-HXUWFJFHSA-N 422.533 1.543 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C)nc2)CC1 1749018681 DGLJVRLWXVRCFY-LJQANCHMSA-N 408.506 1.847 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1749211180 VJVATHKVCDWDFH-HNNXBMFYSA-N 413.482 1.220 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1749488866 NYFTYINOOFATBF-QGZVFWFLSA-N 405.524 1.590 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1749533619 JPLVOZCSQJGJSR-DLBZAZTESA-N 410.478 1.480 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749676401 PERPUFVHRVWHKS-JKSUJKDBSA-N 414.535 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC 1749727482 VQHWVPYYCRJMRF-UHFFFAOYSA-N 416.511 1.368 30 10 HDEE C[C@@H]1C[C@@H](CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1752013086 CPSVRUAOAPZRGD-IKGGRYGDSA-N 402.499 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1760118221 ZTAWUGHKINWZSO-ULQDDVLXSA-N 410.540 1.081 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cn2ccccc2n1 1760217527 FTMQESMFHZILPF-SFHVURJKSA-N 401.474 1.583 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCn2nc(C)nc2C1 1760518262 OBIVCNAGHPUSQP-UHFFFAOYSA-N 413.873 1.216 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cc(F)ccc2F)CC1 1760550571 BSOCFSBQBUTBSY-UHFFFAOYSA-N 411.478 1.792 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](OC)C1 1760552591 UETSZALAGCQTBZ-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761560318 ANXAASZEPLPLKO-LSDHHAIUSA-N 411.466 1.469 30 10 HDEE CCc1nnc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)n1CC(=O)N(C)C 1764909150 HCXVRWPVFHCNEX-UHFFFAOYSA-N 424.465 1.375 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCN2CC)CCOC1 1767481157 BHHQMKLERIZHQG-ABSDTBQOSA-N 404.515 1.143 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCCC2)CCOC1 1767482089 GTCBCZJYYHNLFC-NQIIRXRSSA-N 418.542 1.535 30 10 HDEE CCSCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768407193 ZXRBNLMDOPXGHB-KRWDZBQOSA-N 400.556 1.998 30 10 HDEE CN(CCOCC1CC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1768967024 HIRSJENEIMINAW-ISLYRVAYSA-N 416.526 1.965 30 10 HDEE C[C@@H](C(=O)NCC#CCN1CCc2ccccc2C1)n1nnc2ccccc2c1=O 1850211686 GPSWWFJHTMEWOQ-KRWDZBQOSA-N 401.470 1.530 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCN3CC[C@H]2C3)cc1 1851608899 NDORYOVNIRLZCX-FPOVZHCZSA-N 424.526 1.364 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3Cl)C2)NC1=O 1851652095 XFUHYJBPQJDMPB-NSHDSACASA-N 402.838 1.322 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851729032 UPPYNHHCBIVQRH-UHFFFAOYSA-N 414.487 1.336 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 1853596740 GCCYMMDFVKARKC-SFHVURJKSA-N 413.522 1.567 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)C2)C1 1853642911 ZKUFSSQNHKTWEN-MRXNPFEDSA-N 403.479 1.257 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2sc(C)nc2C)C1=O 1853682620 NYXVVBQAULTWNV-CVEARBPZSA-N 404.536 1.539 30 10 HDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854083826 LLTJUYWKYMDAKQ-MOPGFXCFSA-N 417.531 1.373 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C1=O 1854225723 GSWDCVURFMUMLK-HZPDHXFCSA-N 409.442 1.253 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@@H]1C 1854281201 HUXWNNUTMNVPHN-KBPBESRZSA-N 402.520 1.404 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854850013 RBACVYICDZHNST-AVRDEDQJSA-N 414.481 1.511 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)C3CC4(CCOCC4)C3)C(=O)C2)C1 1854935668 RWSAFDOJLGOKJQ-MJGOQNOKSA-N 402.539 1.631 30 10 HDEE Cn1cc(CC(=O)N2CCC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)cn1 1855008182 CHMIUENCVFYKGY-IBGZPJMESA-N 406.490 1.626 30 10 HDEE COc1ccc(CCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c(OC)c1 1855029468 UDLYCQMQMIVEPW-GOSISDBHSA-N 414.506 1.295 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C(=O)N1CCN(CCCC#N)CC1=O 1855552288 CJBBFRPUNQAQGC-ZDUSSCGKSA-N 400.426 1.606 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cnnn2C)CC1 1855592877 HORXDUKLIOUZOH-UHFFFAOYSA-N 415.475 1.275 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC(C(=O)N4CCCC4)C3)C2=O)cc1C#N 1855783911 SVKJUJUWVXUOHA-HXUWFJFHSA-N 408.502 1.942 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1855899846 AWLPFHXBVNQNBG-LJQANCHMSA-N 417.531 1.926 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCC#N 1856198184 FZLUGZXWPBKCCE-QWHCGFSZSA-N 400.426 1.604 30 10 HDEE CN1CC2(CCN([C@@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C3=O)CC2)CC1=O 1856484214 OZIQQWABTJMXIE-LJQANCHMSA-N 408.502 1.563 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1856544724 RQTSWJKHMOEQMM-SJORKVTESA-N 416.547 1.915 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(COC)cn2C)C1)[C@@H]1CCN(C)C1=O 1857052890 COAPVUVBRZBRRZ-FUHWJXTLSA-N 416.522 1.269 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc3n(n2)CCCC3)C1)[C@@H]1CCN(C)C1=O 1857076577 KXLOVZFQTVDOJV-VQIMIIECSA-N 413.522 1.317 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c(OC)cccc2OC)C1)[C@H]1CCN(C)C1=O 1857265298 UTMBPFKXYHONIF-CVEARBPZSA-N 415.490 1.411 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857266610 KJXHGOPWMVVSPV-DOTOQJQBSA-N 418.881 1.879 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1857321504 XNRMKCKEIVEBRF-ROUUACIJSA-N 414.506 1.796 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1858321702 WDKHPJOFCBJHDS-INIZCTEOSA-N 413.455 1.522 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2cncc(C)c2)n([C@@H]2CCS(=O)(=O)C2)n1 1870004998 SOOXKVBHNXQQCU-MRXNPFEDSA-N 416.507 1.772 30 10 HDEE N#Cc1ccc(COc2cn(CCc3cnc[nH]3)c(CN3CC(O)C3)cc2=O)cc1 1870349500 PWYKDYFJHYPTMI-UHFFFAOYSA-N 405.458 1.441 30 10 HDEE CCCCCCCCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CC(O)C1 1870355783 HJCULUFZJLRZER-UHFFFAOYSA-N 423.554 1.263 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 1889844675 VBLFYQKXPVBXAZ-KRWDZBQOSA-N 411.506 1.408 30 10 HDEE C#CCO[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1892101076 CXPPRSNGPBDINA-WMZOPIPTSA-N 421.475 1.389 30 10 HDEE COc1[nH]c(=N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 1901384414 JFBBUOICBAWGGX-KGLIPLIRSA-N 405.304 1.889 30 10 HDEE CN(C)[S@](=O)(=NCC#CBr)N1CCN(C(=O)OC(C)(C)C)CC1 1982240952 FJUSTLVRKIIOQK-HSZRJFAPSA-N 409.350 1.755 30 10 HDEE O=C(O)CNS(=O)(=O)c1ccc(C=NNC(=S)Nc2ccccc2F)cc1 2069739109 YKYFVWXRCYRYBO-UHFFFAOYSA-N 410.452 1.509 30 10 HDEE N#Cc1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCN(C(=O)OCc1ccccc1)C2 2069967300 HUMCLFDXGDLYGP-HNNXBMFYSA-N 400.460 1.809 30 10 HDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCC1 2174782284 OWHXIDHYIJUOIM-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(C(=O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)C1 2181004607 LQVRCWLICMEUHS-QLFBSQMISA-N 402.513 1.237 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1nscc1C#CCO 2186655746 STQHUPIAJLMVLB-CQSZACIVSA-N 407.517 1.283 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2188791227 PRNIFNQNZZVEQH-MGPQQGTHSA-N 403.501 1.554 30 10 HDEE CC[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247915128 WKAPNZMAVCHQGF-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2248248859 UWSZLGYCFZAWHW-HJWRWDBZSA-N 418.303 1.587 30 10 HDEE Cc1cc(S(=O)(=O)N2CC([S@](C)=O)C2)sc1B1OC(C)(C)C(C)(C)O1 2267707057 KIDMMBMXCVETHJ-DEOSSOPVSA-N 405.372 1.107 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@@H]1CCCC[C@H]1C#N)NC(=O)OCc1ccccc1 2270504010 NALHZRNBRXLDLH-GVDBMIGSSA-N 423.491 1.456 30 10 HDEE N#Cc1cccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270509144 OEERVNUTRVFKMF-QGZVFWFLSA-N 417.443 1.357 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270511770 NCSPYBGEGNWQRI-GOSISDBHSA-N 422.503 1.662 30 10 HDEE CC(C)[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339809 XOLCIHYJXQEYGD-ZFWWWQNUSA-N 401.359 1.827 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C 2282341009 MLYFLZWNUYZHSZ-CYBMUJFWSA-N 402.391 1.912 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCCC[C@@H](N)C2)OC1(C)C 2282342260 FFVBBUIOWVTXJI-CYBMUJFWSA-N 400.375 1.939 30 10 HDEE C[C@@H]1CC[C@@](O)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282353841 YFEIPUZWPBYDNB-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CO[C@H]1C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828589 RAKLDVQWZDNWCD-FZMZJTMJSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4[C@H](CO)[C@@H]4C3)cc2Cl)OC1(C)C 2282830616 XFDPUUIFXSDDAE-JGPRNRPPSA-N 419.761 1.560 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)C[C@@H]1C 2282835544 WLIFROQSYZOEFG-AAEUAGOBSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@]2(C)CCN2)OC1(C)C 2282836199 HBUNTGZJKWZXEB-MRXNPFEDSA-N 401.363 1.004 30 10 HDEE CCN(CC)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842755 CLWWJQNNYAZVEO-UHFFFAOYSA-N 403.379 1.204 30 10 HDEE CN1CCCC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282851826 HOHWLHDTASXLPC-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CN(C)C(=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860759 GFAYRLPQDPLFRR-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCN(C)Cc2ccccc2)n1C 2300267601 MCNOTCMWQXYVTH-UHFFFAOYSA-N 412.343 1.890 30 10 HDEE C=CC[C@H](NC(=O)NCc1c(Br)c(Br)nn1C)C(=O)O 2364443928 RMTXOIRWIWKLLH-LURJTMIESA-N 410.066 1.774 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798448 ZPRBGMIVCCAOFU-KBPBESRZSA-N 403.497 1.730 30 10 HDEE CC[C@](COC)(NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367805192 ZGGLSHULTWVZON-HNAYVOBHSA-N 402.557 1.865 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 16263337 WZTHRHNORPYKAA-AWEZNQCLSA-N 420.512 1.493 30 10 HDEE C=CCSc1nc(=O)c2c(n1C)NC(=O)C[C@H]2c1ccc(OCC(N)=O)cc1 46017813 IUPRLZJQOOKMRL-ZDUSSCGKSA-N 400.460 1.397 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)cc1 54017274 RKJHYBVVYYMMHY-INIZCTEOSA-N 401.492 1.340 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)NCc3ccco3)n[nH]2)cn1 59887299 DKKWUMXDDHSQPW-DJKKODMXSA-N 418.483 1.485 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 111191901 KBRPEVUHSTWCIL-APWZRJJASA-N 420.531 1.490 30 10 HDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C(\C)c2ccc([N+](=O)[O-])cc2)[nH]1 253560630 BATQKYCSTUMZHU-GIJQJNRQSA-N 407.412 1.914 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 301428512 UUINGDCXDGDODJ-UHFFFAOYSA-N 418.482 1.952 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1C#N 438958970 WHYPJQABLWWMGO-GBOPCIDUSA-N 412.851 1.325 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)CC1 444593021 FIJYQMAHBQDJEJ-QGZVFWFLSA-N 410.522 1.871 30 10 HDEE C=C(C)Cn1c(C2CC2)nnc1N1CCN(c2ccccc2S(=O)(=O)NC)CC1 460944129 CMYQNCRGBCSGND-UHFFFAOYSA-N 416.551 1.966 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)Nc2cnn(CCN3CCOCC3)c2)cn1 462104925 SGVMLRQTHMXYNH-UHFFFAOYSA-N 407.438 1.312 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)cc2C1=O 462570202 WPGZZNYCCGQHEX-UHFFFAOYSA-N 424.432 1.769 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2c[nH]c3ncccc23)CC1 464852697 BJXVEFVTLWVAOV-UHFFFAOYSA-N 409.471 1.510 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 491164950 CQKIYYPBFAXNPP-KRWDZBQOSA-N 408.437 1.729 30 10 HDEE C[C@H](CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[S@](C)=O 493926135 APXDYRWRGJCNIP-PTFIGZPYSA-N 411.549 1.232 30 10 HDEE CC(=O)N[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 494504928 DSXQAIFVINZBEO-LJQANCHMSA-N 418.519 1.086 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4ccc(C#N)cc4[N+](=O)[O-])CC3)C2=O)n(C)n1 505818038 GYDKXWMMIHVKFG-GOSISDBHSA-N 423.477 1.826 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@]3(CCCOC3)C2)CC1 510620158 QZJXSNYDKOKOFB-IRLDBZIGSA-N 416.497 1.416 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 513030183 RUGMBABXIHQSMO-UHFFFAOYSA-N 411.527 1.727 30 10 HDEE CC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 525266039 COWCYILBOOYLIA-OAHLLOKOSA-N 411.483 1.672 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN(c2ncccc2C#N)CC1 533223983 LSEZLKOVODCXFM-GOSISDBHSA-N 420.517 1.518 30 10 HDEE COc1ccc(S(=O)(=O)N(C[C@@H](C)C#N)C2CC2)cc1[C@@]1(C)NC(=O)NC1=O 533583308 FHWFTZXNXPAOKS-BBATYDOGSA-N 406.464 1.063 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CCOC)C(=O)C1 577105860 NCGQFJKWGNZACQ-UHFFFAOYSA-N 418.523 1.141 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2Cl)c(=O)n1C[C@@H]1CCCO1 584152442 QCWWTPCZLQSWSI-JTQLQIEISA-N 409.920 1.053 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(OC)nc1 727416994 BOMNVCYNKWXXFI-UHFFFAOYSA-N 424.482 1.315 30 10 HDEE C#CCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)[C@@H]1CCS(=O)(=O)C1 729335016 GLUQWBULYJCZSK-CYBMUJFWSA-N 406.895 1.746 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730138764 MXEQPFRWLCJJNV-QGZVFWFLSA-N 415.519 1.278 30 10 HDEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732677983 JANLXECFLOMQCP-INIZCTEOSA-N 412.519 1.831 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 734293775 MQJUGIXKWUPCAD-UHFFFAOYSA-N 419.846 1.751 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cn1 734599721 OFNWWTHUJMHRAP-UHFFFAOYSA-N 420.469 1.850 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C2C[C@@H]3CCC[C@H](C2)N3C)cn1 742214019 SQXKJRXNLPVPMA-WFVVYAPDSA-N 418.567 1.986 30 10 HDEE COC(=O)c1nn(CN2CCN(c3ccc(C#N)cn3)CC2)c(C)c1Br 744141893 SJJXRJAFAOQGFX-UHFFFAOYSA-N 419.283 1.787 30 10 HDEE COc1c(F)cc(CC(=O)OCC(=O)c2cccc(C#N)c2)cc1S(N)(=O)=O 748251376 JXQAYDFPGMQLMC-UHFFFAOYSA-N 406.391 1.322 30 10 HDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(N2CCOCC2)c1 753929163 BMVFQSJWCJWSLB-FMQUCBEESA-N 413.478 1.157 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N(CCC#N)Cc1ccccn1 755249821 UJVFXEDZQPWPCP-KRWDZBQOSA-N 415.494 1.840 30 10 HDEE N#Cc1ccc(N2CCN3C(=O)OCC[C@H]3C2)nc1N1CCN2C(=O)OCC[C@@H]2C1 767308762 OXBWVRWBMFPGDE-JKSUJKDBSA-N 412.450 1.015 30 10 HDEE C=CCS(=O)(=O)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 772723744 SFWXUAKURHZWPV-UHFFFAOYSA-N 401.238 1.067 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CC=C 772898496 MLVCLMWVNGWAEW-UHFFFAOYSA-N 402.479 1.449 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCNC(=O)c2ccc(Br)cc2)cc1 780904756 ITRSOVVBDUGITJ-MRXNPFEDSA-N 402.248 1.900 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(C3CCN(C)CC3)c2=O)c(C)n1 781660536 FFSKPRINZWTMQN-UHFFFAOYSA-N 409.515 1.224 30 10 HDEE COC(=O)[C@H](NC[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1)c1ccc(C#N)cc1 785535566 MNYLOJVTIRZXSQ-OXJNMPFZSA-N 409.490 1.959 30 10 HDEE C=CC[C@]1(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790256795 OINGAZCSSSFUDK-LJQANCHMSA-N 415.556 1.872 30 10 HDEE CCCCCCCCn1nc(C)c(S(=O)(=O)N2CC[C@](O)(C(N)=O)C2)c1C 795951341 PKJOZFQYWOCQRM-GOSISDBHSA-N 400.545 1.471 30 10 HDEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 798418998 VTRZJRZVHDFFIX-MRVPVSSYSA-N 403.342 1.652 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(Cl)ccc2N2CCOCC2)CC1 798491384 SIPPSTUHPKGPIU-UHFFFAOYSA-N 418.925 1.848 30 10 HDEE C#CCN(C(=O)NCc1ccncc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 798522987 DLYUWFPTCNWSQO-CYBMUJFWSA-N 405.398 1.355 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@@H]1C)[C@H]1CCS(=O)(=O)C1 798531960 AAFUIGWKBPERQQ-BPQIPLTHSA-N 403.504 1.008 30 10 HDEE CCOC(=O)CC(C)(C)C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 807954371 QAERSOXKPDFXLA-UHFFFAOYSA-N 411.528 1.395 30 10 HDEE Cn1nccc1CC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124683 NHMMQHRCZUCYIS-UHFFFAOYSA-N 401.217 1.241 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)C2)n1 856698667 FMEUXXPFCYLWTG-OAQYLSRUSA-N 413.478 1.750 30 10 HDEE CC(C)CN(C(=O)CON=C(N)c1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 918185490 PUCCMZJQLHZMHS-QGZVFWFLSA-N 410.540 1.061 30 10 HDEE N#C[C@H](C(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)c1nc(O)c2ccccc2n1 919804411 QJHKQSBNLDXSBF-NVXWUHKLSA-N 423.473 1.082 30 10 HDEE CC(C)(C)c1ncc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)s1 920394564 PXWQDMIWWNZNPS-ZDUSSCGKSA-N 400.529 1.869 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCc4nc(COC)nn4C3)n[nH]2)c1C 1149852197 VPIDLMVDKPIEET-AWEZNQCLSA-N 410.482 1.559 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)N(C)OC)CC3)n[nH]2)c1C 1159473572 LXQHXIQGCJQNAZ-UHFFFAOYSA-N 400.483 1.948 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c(OC)c2C)cc1 1178592213 SWBSKQQCLHHUSE-UHFFFAOYSA-N 402.472 1.854 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197310543 CVFGMGAYGRGCEV-UHFFFAOYSA-N 412.265 1.788 30 10 HDEE C#CCn1cc(CNS(=O)(=O)Cc2cc3c(cc2Br)OCO3)cn1 1212444907 FQSOIMDKBUFJNU-UHFFFAOYSA-N 412.265 1.627 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1230511561 WLVUTTCVXZWGBU-IBGZPJMESA-N 421.567 1.697 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1F 1230511753 ZWIBVCVUPAPHQV-DOTOQJQBSA-N 400.859 1.753 30 10 HDEE C#CCN(C(=O)NCc1nc(COC)n[nH]1)C1CCN(C(=O)OC(C)(C)C)CC1 1230719899 XWSXISPTGXPXJE-UHFFFAOYSA-N 406.487 1.495 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](c2ccc(F)c(F)c2)c2nccn2C)CC1 1256241749 GIWCRSHURDAXAL-GOSISDBHSA-N 415.444 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1286295742 KRPYMUGDWZEUTD-IRXDYDNUSA-N 421.567 1.431 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286358046 GINKOISLDVEMDS-FGTMMUONSA-N 403.527 1.911 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1286392389 LTKASAIAEPDHFO-KRWDZBQOSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1CCCO 1286404523 VFPPOANVUHVCHA-LJQANCHMSA-N 421.501 1.593 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(N)=O)c1 1286416868 ZFGDRCWIKGIYLW-UHFFFAOYSA-N 401.474 1.360 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1286434099 SPJLXEZYPZPESN-UHFFFAOYSA-N 414.473 1.873 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)N2CCCC2)CC1 1286480338 LPFQFNNHRMFZKC-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1)C1CC1 1286732320 POVZCHUOVULOMH-AWEZNQCLSA-N 405.524 1.991 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1286779322 ILBSNZGAKFTLHP-LSDHHAIUSA-N 414.441 1.588 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1286921229 AEPKNSQBXPEKMI-OAHLLOKOSA-N 413.482 1.282 30 10 HDEE COc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1S(C)(=O)=O 1290045512 GZNIPJWEZJGUSR-UHFFFAOYSA-N 413.499 1.928 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1296130330 FAHVYHUPEKXAQU-AZUAARDMSA-N 415.586 1.938 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C[C@@H](C)C(=O)OC)cc1)c1cc[nH]n1 1296158797 VNWDTFSJDFYHIF-CYBMUJFWSA-N 416.434 1.684 30 10 HDEE COc1cccc(OCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1300448131 TXOMCYUDEIPZGR-IBGZPJMESA-N 423.477 1.885 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1nc(C)c(C)s1)[C@H]1CCS(=O)(=O)C1 1300504718 RBNDTGYUVWBSKC-HNNXBMFYSA-N 423.564 1.563 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1300537260 BYXPRPNKCYBFQI-OALUTQOASA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CCc1ccc(S(C)(=O)=O)cc1 1300665165 YBRHARDDIQUNSN-UHFFFAOYSA-N 402.520 1.888 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CC1 1300700922 YTLUSOZEYYLLGF-MRXNPFEDSA-N 416.913 1.665 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2([S@](C)=O)CCC2)CC1 1300711882 JLEJVIWMTNLICT-NDEPHWFRSA-N 405.568 1.669 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301017058 GJVFPOFHVGKAKR-NXEZZACHSA-N 417.841 1.408 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301259930 QSCILEUGNNSCHZ-SFHVURJKSA-N 411.510 1.413 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301459126 QMQGKNKJRBZPRP-AUUYWEPGSA-N 406.483 1.603 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C 1301596155 JFSHQKIXPYUYMV-MRXNPFEDSA-N 420.583 1.979 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 1303314878 REFLUDZXJCQORJ-MRXNPFEDSA-N 416.459 1.072 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(F)(F)F 1304514405 ORNIDYGPXGSQAJ-WCQYABFASA-N 407.414 1.179 30 10 HDEE Cc1noc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)n1 1304895802 CXDGNIPMRSGROM-JSGCOSHPSA-N 407.500 1.100 30 10 HDEE C#CC[C@]1(C(=O)N2CC(n3cc(C(C)=O)nn3)C2)CCCN1C(=O)OC(C)(C)C 1304904019 KEPPBPDIHTYMJE-HXUWFJFHSA-N 401.467 1.657 30 10 HDEE COC(=O)C[C@@H]1CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C[C@H]1C 1308081485 NUHDKXOXCNSDGM-BRWVUGGUSA-N 404.536 1.588 30 10 HDEE COC(=O)[C@H](c1cccc(C(F)(F)F)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099620 IOLRKGODRMTYFW-DZKIICNBSA-N 402.394 1.790 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1 1308914276 MRBSRSKJUVPIFK-UHFFFAOYSA-N 418.588 1.970 30 10 HDEE COc1cccc([C@@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)OC)c1 1313062449 HWAJJNXAUOGOOD-HNAYVOBHSA-N 410.478 1.965 30 10 HDEE CN1C[C@](C)(Cn2c(N3CCN(c4ccc(C#N)cn4)CC3)nnc2C(C)(C)C)C1=O 1314924231 WJDACDNKSGENNY-JOCHJYFZSA-N 422.537 1.647 30 10 HDEE CO[C@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315724516 MGHRFTOHQDDKJO-NXDJFEHLSA-N 416.526 1.864 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H](C)O1 1315929114 BNRXZVBGQBXEPD-KDOFPFPSSA-N 408.466 1.234 30 10 HDEE N#Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CC[C@H](C(N)=O)C2)o1 1316533878 HJKCPFRLMJJSFV-HNNXBMFYSA-N 406.446 1.724 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)C1 1321285456 FIBYKKVMMQOIIJ-MOPGFXCFSA-N 422.493 1.881 30 10 HDEE CS(=O)(=O)CCc1noc(C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1339293144 HMEACUTVWHCUPJ-UHFFFAOYSA-N 424.504 1.097 30 10 HDEE COC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1354360386 KSTFBQJVSHKMMA-HEHNFIMWSA-N 422.507 1.916 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@]3(C#N)CCCOC3)c2)CC1 1355663077 MNUQSCZMJRXHDU-LJQANCHMSA-N 406.508 1.272 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358959310 GHSQAWYIVBHOHC-QAPCUYQASA-N 413.503 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@](C)(O)C1CC1 1359026207 OGRNIPZIVBXHQF-JOCHJYFZSA-N 408.506 1.764 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@H](OC)[C@H](OC)C1 1359077826 MEVLHTZTQKFCHS-MCIONIFRSA-N 419.320 1.761 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359297554 UNPOATHACQXFLV-INIZCTEOSA-N 417.535 1.569 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1359475865 SQLDMRSPKIEPOU-CQSZACIVSA-N 402.524 1.808 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1359515569 AAODTHFCXZEWNC-PMACEKPBSA-N 424.549 1.919 30 10 HDEE Cc1nn(C)c(Sc2ccccc2)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439796661 NRUIUPNIYYYQLT-IFXJQAMLSA-N 416.528 1.890 30 10 HDEE C#CCOc1ccc(CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 1449778640 GHXIMBUPXZPBIM-SFHVURJKSA-N 415.490 1.831 30 10 HDEE COC(=O)c1cnc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)C2)s1 1460861761 BSEUIMSOIPNAJP-CVEARBPZSA-N 419.551 1.411 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](COC)c2cccc(Br)c2)C1=O 1462319997 CBFQIJKRIZVBMG-ZDUSSCGKSA-N 424.251 1.230 30 10 HDEE N#Cc1ccccc1OCC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1463457532 YCKSXJRCPNBGLY-BBRMVZONSA-N 402.394 1.905 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCNc2ncccc2C#N)C1 1464504075 DNHPFLBTFZKNFQ-YWZLYKJASA-N 403.483 1.896 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 1468539768 VMYINOHFXATGJT-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)Nc2n[nH]c3cc(C#N)c(C)cc23)c1=O 1469794900 CKNMBCKYFFYMQP-UHFFFAOYSA-N 402.414 1.878 30 10 HDEE CCc1nnc(N(C)Cc2c(C)nn(C)c2C)n1CCN/C(O)=C1\N=CC=CC1=O 1498626391 LLBOTIGCTPXPBO-VHEBQXMUSA-N 412.498 1.354 30 10 HDEE CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1500489848 BMRSMVYIOBORRT-YJBOKZPZSA-N 410.544 1.541 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C2CCCC2)CC1=O 1503680539 AYDRGYWTEIZOHG-UHFFFAOYSA-N 407.522 1.970 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1503708633 MRICJVONGSDHJM-CRAIPNDOSA-N 412.494 1.441 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507647764 HIENWQSZGIFWGP-SFHVURJKSA-N 415.457 1.487 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1Cc1cnn(CCOC)c1 1507670116 DGVPOIMIDRNULQ-UHFFFAOYSA-N 403.490 1.618 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@](C)(O)c1ccccc1 1507712722 NDCZNKZQMVYKIM-XMSQKQJNSA-N 411.506 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCSCC#C)CC1 1507739364 GLPZSGQPYDQNME-UHFFFAOYSA-N 422.558 1.596 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CC2)CC1 1507741191 WYJQMMONKOGMOG-UHFFFAOYSA-N 421.545 1.944 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1507756391 NHUSEEPXTYEOHR-FQEVSTJZSA-N 412.519 1.661 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1507770546 NCKBIBNRUBWEEK-JOCHJYFZSA-N 414.554 1.503 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCn1cc(CO)nn1 1507773923 NTMNSVDYUYDFFH-OAQYLSRUSA-N 406.494 1.430 30 10 HDEE CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)CC1 1515939811 FHYOUUQMFDDXSV-QGZVFWFLSA-N 404.563 1.040 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2ccc(Br)c(C#N)n2)[C@H]1c1cccnc1 1529893754 UYXAHDHHKHPZPT-CVEARBPZSA-N 416.235 1.648 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1530725865 VSVVCNONXINAJV-HOTGVXAUSA-N 423.491 1.540 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1532593535 IZGDVZFEPNNWNV-PMPSAXMXSA-N 419.444 1.532 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1536901314 YCQKCHYUBOYCCZ-GUYCJALGSA-N 414.911 1.682 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1538975272 ZDEWVPZUUKOLGS-ZWKOTPCHSA-N 424.615 1.858 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1539105274 ZGZJHHPUCMVAHL-MRXNPFEDSA-N 406.450 1.334 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539218991 AWQLWUXZEHMNQF-IAGOWNOFSA-N 422.551 1.452 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1539246182 PUUVQOITRSYFBQ-AOMKIAJQSA-N 410.474 1.575 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1539345164 QOEKLCNYZVSOCA-FQEVSTJZSA-N 407.515 1.914 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1539350517 OKBQHALSIOTERS-UHFFFAOYSA-N 417.535 1.580 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(F)c1 1539392383 QJZDGFRYYVOGHY-UHFFFAOYSA-N 415.469 1.818 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[S@@](=O)CC 1539405510 BOWWVMXOXIFCFN-LJAQVGFWSA-N 418.519 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCNC(=O)C2CC2)CC1 1539436466 TVCWUVCBVSMTOV-UHFFFAOYSA-N 412.925 1.880 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(NC(C)=O)nc2)CC1 1539444876 WWHILVKARKSQEC-UHFFFAOYSA-N 416.489 1.497 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C(=O)NC 1539627627 KGRNGLCCEHGYCF-IVSAIRAKSA-N 404.515 1.029 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@H]1CC 1540039553 AXZPHLQYIHHXDK-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1540880873 SHJPOOHTABEFLF-INIZCTEOSA-N 407.478 1.603 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)C(C)=O)CC1 1540900981 PCIIEPCDUPPNDD-UHFFFAOYSA-N 420.539 1.321 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1541694020 YDDJIOKCLLRNQG-SFHVURJKSA-N 412.494 1.583 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1541802384 PFZNDHMAMCKDMB-ZDUSSCGKSA-N 413.482 1.790 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1542007817 CCJURYFCJMUZQU-UHFFFAOYSA-N 410.478 1.291 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)cc1 1543123717 DFIHHQWJLGKNPT-SLJRNTSBSA-N 418.479 1.039 30 10 HDEE C[C@@]1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCNC1=O 1543137655 NGXSKBBGEKIICJ-MAUKXSAKSA-N 405.296 1.684 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)Cc2ccc(C#N)nc2)C1 1544363650 WHYWNQFQHSPNAP-INIZCTEOSA-N 415.494 1.375 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1544555626 WWQOCHRUDKWTOG-ZDUSSCGKSA-N 404.421 1.765 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1556317285 VTLIDSGQNRKAFV-MJBXVCDLSA-N 423.963 1.856 30 10 HDEE Cc1nnc(N2CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)CC2)n1C 1557302295 BPYWDRSTDPUQFH-UHFFFAOYSA-N 411.485 1.700 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1 1558642788 DCQHRNQJDFFKGG-KPZWWZAWSA-N 409.464 1.315 30 10 HDEE Cc1cc(C)c(N2C[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CC2=O)c(C)c1 1558805894 XUEXFYWNFUMYHX-OAHLLOKOSA-N 421.457 1.182 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])c1 1559231368 QHRGAMAJWPKKMA-UHFFFAOYSA-N 401.448 1.623 30 10 HDEE CC1CCC(NC(=O)CN2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)CC1 1559630604 YJNKRSHJTBOOBR-SOAGJPPSSA-N 406.571 1.370 30 10 HDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)CCOC1 1560012733 XCMCNSRDOFCPPD-XOBRGWDASA-N 404.467 1.045 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1562081468 WNKSDCWMOIGPPJ-OAHLLOKOSA-N 413.496 1.165 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C1CCOCC1 1565106608 VOVIISMSRLKPQR-APWZRJJASA-N 411.458 1.121 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)c1cc[nH]n1 1565713509 JNYFRSXWMKVCRJ-ZDUSSCGKSA-N 418.450 1.897 30 10 HDEE C=CCOC[C@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)C(=O)OC 1568154768 RANGKMFRHZLTTN-SFHVURJKSA-N 409.914 1.713 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1583816964 PAOADICBRCPKSC-NRFANRHFSA-N 415.453 1.892 30 10 HDEE C#CCCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1587769296 DAROKARIURUEAL-GOSISDBHSA-N 417.460 1.902 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1588045897 SSZXDLMHIRDZTM-QGZVFWFLSA-N 417.535 1.639 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC(C)(C)C 1588089205 GMRVNYWMMHBUQI-OAQYLSRUSA-N 401.511 1.308 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1588140058 SSZSWPDHVKWVJW-CYBMUJFWSA-N 404.414 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCSCC1 1588250891 KJVGVJGJXZLSSY-UHFFFAOYSA-N 411.579 1.651 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1588261953 AQBXKUNBEMNMKW-FQEVSTJZSA-N 424.549 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1COCCO1 1588581141 IDDJELDSJBFNCN-CQSZACIVSA-N 424.299 1.537 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1589495952 UVRJCSIZBSPWFS-DKICVRJWSA-N 402.499 1.382 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1 1589579894 MNYOSOMTIYVQPS-GVDBMIGSSA-N 404.515 1.572 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1594819939 PIZWEYBXOKEOID-OAQYLSRUSA-N 418.542 1.884 30 10 HDEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1594857867 SBTOWYGEEQZCLV-IFXJQAMLSA-N 424.498 1.729 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1595179068 WYIGKHDKZMPHIF-CYBMUJFWSA-N 421.552 1.824 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1CCOCC1 1595562138 ONABUMOWUMEDHW-UHFFFAOYSA-N 423.521 1.682 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)CC)C1 1595722675 MSYGIAISXPRBDS-JKSUJKDBSA-N 413.544 1.240 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(C(=O)OCC)c2ccccc2)c1 1596548060 RXGBWVZTKRNPSX-NRFANRHFSA-N 414.483 1.806 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)C(=O)c1ccc(Br)s1 1598065446 GUZUSLPGZXJBOG-UHFFFAOYSA-N 400.298 1.768 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1598167739 IBWMGCCRUSVQSO-MRHSLFKSSA-N 408.520 1.805 30 10 HDEE N#Cc1ccc(N2CCN(CCC(=O)N3CCN(c4ccccn4)CC3)CC2)cc1 1620507325 HYQCWXUAQLSZOV-UHFFFAOYSA-N 404.518 1.814 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1cc(Br)ccc1C#N 1621765557 BKZAFMZYBBKSHS-LBPRGKRZSA-N 401.330 1.235 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)c1 1623603399 ZJBHIXMFYZTWJL-HNNXBMFYSA-N 411.480 1.260 30 10 HDEE C=CCOC[C@H](NC(=O)C1(COC)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1626204790 NBNCRITZTUXPBB-HNNXBMFYSA-N 414.499 1.511 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccccc1Cl 1627137400 YHILCFHGSSIBGF-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE COc1ccc([C@H](CO)N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1631748331 CGFQPAJBVHDAIR-KUHUBIRLSA-N 417.487 1.426 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1631791739 MJPXYLUJCPDPHR-UHFFFAOYSA-N 416.478 1.221 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)cc1 1633499765 AETVOTZOYYCECY-HXUWFJFHSA-N 415.471 1.111 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1634579963 LKWOFXLAZGTODN-ZDUSSCGKSA-N 403.298 1.272 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CC(=O)Nc3nccn32)C1 1636777729 PPMFOOBKCHUFRE-GFCCVEGCSA-N 409.874 1.799 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C1)C2 1637885110 DVEHVPMSHUCYDV-WLRLJWMZSA-N 410.518 1.867 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](CO)c2ccc(F)cc2)ccc1F 1638039429 DXBPQOGAPFEYCW-OAHLLOKOSA-N 410.442 1.935 30 10 HDEE C=CCC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1640864129 PRFOWIOIPCZEFR-IAGOWNOFSA-N 412.446 1.777 30 10 HDEE C#CC1(O)CCN(C(=O)c2nnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2C)CC1 1641039945 ASLVWOFQYHLGAO-UHFFFAOYSA-N 417.510 1.759 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1643985281 FBOXBXKQXOHGLZ-GOSISDBHSA-N 401.492 1.848 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(S(=O)(=O)N(CC)CC)cc3)C2)C1 1644615638 FGWPXDNDRZOOIX-OAHLLOKOSA-N 421.494 1.254 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Cl)CC1 1648829003 FTQLRBAUMJWUKP-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE C=CC1(CC(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CN(C(=O)OC(C)(C)C)C1 1648911593 OLGNPSLGPOHLFN-HRAATJIYSA-N 409.527 1.142 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)Nc2cc(C#N)c(F)cc2C)[C@@H](C)O)cc1 1651372538 MMLHKBBXYXFDCX-FZKQIMNGSA-N 405.451 1.981 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1651414490 QYCBSTUABQXDPC-CMDGGOBGSA-N 405.458 1.483 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)Cn2cnc(C#N)n2)CC2(CCOCC2)C1 1651625289 NFFXGENWMNWTEB-CQSZACIVSA-N 404.471 1.072 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1C 1655683985 UBXMHISNMKUTLC-PXNSSMCTSA-N 400.504 1.420 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 1656883488 HQDMCKSOSDKYPJ-JTQLQIEISA-N 418.288 1.063 30 10 HDEE C#CCNC(=O)C1CCN(Cc2c[nH]nc2CN2C(=O)c3ccccc3C2=O)CC1 1658988369 LLIPCLHBLXEZIV-UHFFFAOYSA-N 405.458 1.167 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1659573839 ABDQDMAHNOEFKP-INIZCTEOSA-N 422.507 1.326 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC 1664237472 BTTXDCXYCNXVFX-INIZCTEOSA-N 416.521 1.403 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 1666641305 XECXZYJXSALFNG-UHFFFAOYSA-N 420.491 1.345 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)OCC)cc(C(=O)OCC)c1 1668766612 RNIBRVGLIQDAPI-UHFFFAOYSA-N 412.464 1.762 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1678995489 SUDQORHLBLVXRZ-LPHOPBHVSA-N 423.535 1.983 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccccc1 1682352599 PVWJQAYTNSYUQJ-SCTDSRPQSA-N 420.535 1.042 30 10 HDEE C=CCC1(O)CCN(C(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CC1 1683578704 HUGOLEKRLDXVIB-MRXNPFEDSA-N 407.486 1.852 30 10 HDEE Cn1ccnc1C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1684140966 DEQXYJOUBNVXHU-ABSDTBQOSA-N 413.503 1.284 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(Cn3cnnc3)CC2)C1 1686054503 AAMVXDNZUDCCAZ-CVEARBPZSA-N 403.487 1.459 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 1686270756 HLOUYGRQKOJGAP-HNNXBMFYSA-N 412.943 1.405 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1689926407 OYZLEHUFTOUXJS-HNNXBMFYSA-N 403.446 1.334 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(=O)C2CC2)CC1 1689943147 MKOTWNJOUPLPCH-OALUTQOASA-N 415.538 1.864 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1COCCO1 1690099764 KKAQWDVIGDIAHU-QGZVFWFLSA-N 409.490 1.938 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CCN1CCN(C(C)=O)CC1 1690102125 DAMDYOJGSWKHRB-UHFFFAOYSA-N 402.543 1.186 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1690104197 PDMKSKSPNBFODX-QGZVFWFLSA-N 403.527 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCOC2)CC1 1690150331 CZWGMHRMIOFGDR-LJQANCHMSA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)C(=O)C1 1690179215 QZAPWRFHODHAEB-UHFFFAOYSA-N 412.563 1.935 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CCOC 1690190140 MJCDYULETIREBC-HNAYVOBHSA-N 411.572 1.943 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1690671330 UBZYUODRXUKJAK-SJORKVTESA-N 418.542 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccn1 1690714572 PCJPVQODMQFMLK-UHFFFAOYSA-N 406.512 1.049 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1691545843 GTYMCZXGQGICRW-NJNPRVFISA-N 408.506 1.939 30 10 HDEE CCc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1694725831 IMLZJRBXVPSJKF-FFCCVRBZSA-N 400.483 1.372 30 10 HDEE CCCN(CCC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1695334062 CRTHKGVDJUXYMT-DLBZAZTESA-N 403.531 1.470 30 10 HDEE COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1697997423 FVEIXAVZPCFPHJ-OAHLLOKOSA-N 405.480 1.114 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(F)(F)CC1 1698521037 YNABFFBDGKSDBA-WKSPDDFDSA-N 422.436 1.544 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705515462 FIIJJICSUDUZFM-MOPGFXCFSA-N 413.570 1.249 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@H](OC)C1 1705527276 YNDHQQPZZSBWOS-KRWDZBQOSA-N 417.535 1.834 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705534056 XWJWYUSCFKKIQK-OAHLLOKOSA-N 401.515 1.273 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705536157 BPDACERELOUJEJ-OAQYLSRUSA-N 414.598 1.875 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705560571 LNIJFKQDNNGWES-ZDUSSCGKSA-N 408.446 1.955 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)N(C)C)CC1 1705637437 XLHBVAMDWOHSBA-UHFFFAOYSA-N 417.517 1.727 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@](C)(O)CCOC)CC1 1705644350 NSQWGWWETOJSQV-IERDGZPVSA-N 405.543 1.545 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705660033 LKOPFJJRTXSWJJ-IRXDYDNUSA-N 418.567 1.926 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705700195 PYDJPBWYESQSCO-WBVHZDCISA-N 409.556 1.655 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1705717103 CIFZRPXGIWWCIG-QGZVFWFLSA-N 423.583 1.985 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1)c1ccccc1 1705741572 SYKXDOVVEJWCNP-QFIPXVFZSA-N 408.506 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](n2cncn2)C1 1705937055 HBHRTXUITQBACH-INIZCTEOSA-N 405.528 1.264 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1706021201 IIJRQOLHOFKCEL-HSALFYBXSA-N 424.505 1.462 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1706199869 OFPSZFDAJMGEEU-SJLPKXTDSA-N 424.505 1.605 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1707913452 CYVDRIBMDRGIHE-LJQANCHMSA-N 407.522 1.695 30 10 HDEE CCOc1ncccc1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1710572941 NKTNTBCKRJLBSK-WBVHZDCISA-N 416.482 1.573 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1=O 1712485903 WJBPHDRFJUXKIQ-QGZVFWFLSA-N 414.466 1.328 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1712541597 BOYAYGNQHVITOI-FOIQADDNSA-N 414.514 1.718 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722360319 GHMFSLFEQSVVNB-CVEARBPZSA-N 403.508 1.327 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368228 PVVPTPPIODIWQV-MSOLQXFVSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1722382524 HYHKECPVMOFLGF-RTBURBONSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(OC)C2CC2)CC1 1722432353 WGMSEFVCZSBVQQ-QFIPXVFZSA-N 423.521 1.496 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCOc2ccccc2)CC1 1722450643 OIQNKRLHFZRIJW-UHFFFAOYSA-N 411.506 1.859 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1722712002 KNGLEJCQJMHRCX-QZTJIDSGSA-N 411.510 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)CCC(F)(F)F 1722725390 NXXXSDTZDFHCGI-UHFFFAOYSA-N 411.450 1.406 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723077843 PKKXCOMGURYXDQ-KRWDZBQOSA-N 423.525 1.074 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCS(=O)(=O)N(C)C 1724576396 ABSCYJVNLFUTMG-GOSISDBHSA-N 406.487 1.587 30 10 HDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729158194 VYGVVJJWOSEKLF-ZWKOTPCHSA-N 410.478 1.715 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740555077 ZZVSBDNCWAOODN-YJBOKZPZSA-N 424.505 1.241 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1740563968 YFUZZTLEJNTCKC-HAGHYFMRSA-N 419.570 1.817 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740578379 AKMJXRSJECZQOK-QGZVFWFLSA-N 403.527 1.852 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(SC)CCN(C)CC1 1740609791 SRXKLACBEIMTDO-UHFFFAOYSA-N 416.551 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1740627042 ODVWXBMLKNXQCJ-SQNIBIBYSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(F)cc1 1740630495 IWDGHGZXSLPCOX-HOTGVXAUSA-N 417.510 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCN(C)C(C)C)CC1 1740693384 XGKYXQRPOXHLOM-QFIPXVFZSA-N 418.586 1.414 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740722313 DLWISMOVKSGQTB-OKZBNKHCSA-N 405.568 1.653 30 10 HDEE C=CCN(CCOC)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1740936607 BSWJCDUTTBPQKF-XSLAGTTESA-N 413.522 1.847 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1 1740951710 LTWFMNLAIMZAOQ-OAHLLOKOSA-N 413.482 1.089 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740989820 AHFRDNOQMZTWDM-HZPDHXFCSA-N 418.523 1.199 30 10 HDEE COc1cc(F)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1748561769 FPLQKGQGZPOKEA-QWHCGFSZSA-N 424.502 1.680 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1748697335 FXTHFPRADZKQNN-SJORKVTESA-N 421.505 1.691 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1748817226 GUTVXCNOFVMYFV-KRWDZBQOSA-N 404.540 1.453 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1CCOC1 1748843028 YEIGIUUZSZJGKD-KRWDZBQOSA-N 416.485 1.691 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1748906141 PUKOQWLWMQFSGS-DLBZAZTESA-N 410.588 1.468 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](SC)C(C)(C)C)CC1 1748991060 PLYZTIGLLKQVCW-JKSUJKDBSA-N 404.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2([S@@](C)=O)CCC2)CC1 1748993748 KMBPOAWQQBTLER-MUUNZHRXSA-N 417.604 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)CC1CC1 1749073492 RIBXSXTYDXPWOW-HXUWFJFHSA-N 419.551 1.217 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1749268509 BWWDMRYNPPSJHR-HUUCEWRRSA-N 417.963 1.846 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)CC1 1749302896 ALIJUNZQWGJQKP-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)N1CCOCC1 1751929353 HYUBQJKEMNBBTH-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1751982716 OBFAWIQXRBOVFA-QAPCUYQASA-N 410.478 1.289 30 10 HDEE C#CCN(C(=O)c1cncc(C#C)c1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759990731 ZCUODHXOZJMOJM-TWGBQZSLSA-N 403.482 1.553 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1760171519 MLYLJMBOVBUZIA-RBUKOAKNSA-N 408.506 1.200 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1760180345 CMCUVMTYMLSXML-CQSZACIVSA-N 411.434 1.258 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189566 VILNQFDBXAXXGZ-SQNIBIBYSA-N 422.551 1.571 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760192106 DTSXVJMAPCIVDV-QFBILLFUSA-N 410.540 1.256 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1760227866 OPANLOGITHGRMA-NRFANRHFSA-N 405.543 1.941 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1760359865 XATGFASONCBAEK-QGZVFWFLSA-N 423.521 1.811 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760432919 OKPWGCMYRUMYKN-SOUVJXGZSA-N 410.544 1.102 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1C 1760548659 MMCMFMLYQRXYIQ-AWEZNQCLSA-N 404.496 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@@H](C)[C@@H]1C 1760553484 DMQGCYUCUCWUQH-KBPBESRZSA-N 408.553 1.666 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)[C@H](C)C1 1760610249 WNDIZNVHWFIGPA-UZLBHIALSA-N 424.505 1.679 30 10 HDEE CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1764110571 BIXCXDWWBCUFKG-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE CCOCc1nnc(N2CCSC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766447240 ZKIPYSFRJXPKPN-MSUUIHNZSA-N 420.539 1.673 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1766705762 PMJMFMYODORTAA-QGZVFWFLSA-N 424.571 1.931 30 10 HDEE COCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1771081961 ZCWWRMHGYBUMNU-QGZVFWFLSA-N 415.454 1.160 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1771332602 KLCWDCGHXSDNQC-STGLLQLASA-N 411.466 1.035 30 10 HDEE CS(=O)(=O)c1ccccc1-n1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1772792756 NEWGZQQVCCFVLA-UHFFFAOYSA-N 411.395 1.644 30 10 HDEE NS(=O)(=O)c1cc2cc(C(=O)ON3C(=O)c4ccccc4C3=O)sc2s1 1772794311 HAMGACJTSDSZTN-UHFFFAOYSA-N 408.438 1.978 30 10 HDEE C=CCN(C(=O)Cc1nnc2cc(-c3nc(C(C)C)no3)ccn12)[C@@H]1CCN(C)C1=O 1850856271 RAIWMVFECVRGJE-OAHLLOKOSA-N 423.477 1.691 30 10 HDEE Cc1cccc(C)c1N1C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1851295282 MLGCDIPNJHOJBO-KRWDZBQOSA-N 404.474 1.667 30 10 HDEE CCN1C(=O)C[C@@H](SCCNC(=O)C2CCN(c3ccc(C#N)cc3)CC2)C1=O 1851988943 PGMUEVHKFGEJBM-GOSISDBHSA-N 414.531 1.771 30 10 HDEE N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 1852097121 MUONDKQPWSYASY-RTBURBONSA-N 404.474 1.573 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c2ccccc21 1852158148 XMAVPESCPKMJME-UHFFFAOYSA-N 404.370 1.211 30 10 HDEE Cc1nc(=NC(=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)c(C#N)c[nH]1 1852638024 PYLWYLAGYULLGQ-MRXNPFEDSA-N 421.379 1.989 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cc4n(n3)CC(F)(F)C4)c(C#N)cc2C#N)CC1 1853082183 QXINXYVHHHLJQI-UHFFFAOYSA-N 412.404 1.217 30 10 HDEE CCOCCON=C(CN1CCSCC1)NS(=O)(=O)c1ccc(C)cc1C 1853603180 RDWIPPHQINSRHU-UHFFFAOYSA-N 415.581 1.997 30 10 HDEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)cs1 1853659374 IMNXLIZLVRZBDA-IBGZPJMESA-N 409.515 1.882 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3OC)C(=O)C2)C1 1853679115 DFTKJTSGZMZSDR-QZTJIDSGSA-N 401.507 1.702 30 10 HDEE Cc1cc(CC(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)no1 1854201746 FKKBMPQBCVKQBO-FQEVSTJZSA-N 407.474 1.343 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C1=O 1854225724 GSWDCVURFMUMLK-JKSUJKDBSA-N 409.442 1.253 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1CCCc1cnc2ncnn2c1 1854241444 OAALGCRXKITZJQ-HNNXBMFYSA-N 403.446 1.302 30 10 HDEE C#CC[C@H](F)C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 1854605928 MEYWYLOZURHIQU-MNOVXSKESA-N 411.329 1.794 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2cc(Cl)ccc2Cl)CCN1S(=O)(=O)CC#N 1854710745 UWIGDUSOIGOQKC-NSHDSACASA-N 418.302 1.839 30 10 HDEE CCc1nccn1CCC(=O)N1CCN([C@@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854997985 KSGMRPDDPGRFDB-QZTJIDSGSA-N 400.527 1.273 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2COc3ccccc32)CCN1CC(=O)c1ccc(C#N)cc1 1855121478 XBVXATDINCRKIO-HNAYVOBHSA-N 403.438 1.976 30 10 HDEE Cc1ccnc(C)c1C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855961855 WGSJPCFHZSPJCT-UHFFFAOYSA-N 412.471 1.962 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856719018 XLGBFGRFODWTQY-AWEZNQCLSA-N 416.503 1.482 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2cccnc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1856721963 NWIRGODGDLPELD-JKSUJKDBSA-N 404.898 1.514 30 10 HDEE Cn1nccc1C(=O)N1CC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1857017241 RYFASHOKHKPHPN-SFHVURJKSA-N 408.462 1.219 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCCN(C4CCC4)CC3)ccc21 1857065212 OUUUANQJTKSNPR-UHFFFAOYSA-N 416.503 1.265 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CC(Cc4ccccc4)C3)CCC2=O)CC1=O 1857068059 LRTAUWIILVXIFS-CTNGQTDRSA-N 409.530 1.961 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)Nc1ccccc1C#N 1867018834 BQDWRTHIAJIODE-SFHVURJKSA-N 417.462 1.798 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872596238 KOGAUDQVYIZTAO-INIZCTEOSA-N 419.434 1.864 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(F)cc1F 1874432663 QUDKAMPKMDYRPO-GZIVZEMBSA-N 410.450 1.693 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccc(F)cc3)ncnc21 1875227643 HZXVUHHZAAJIOZ-UHFFFAOYSA-N 413.453 1.795 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC(COc2cccnc2C#N)C1 1891162357 MOWDRORGROUQBY-HNNXBMFYSA-N 411.487 1.647 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914786034 YKEVYGYJPLMQSE-QZTJIDSGSA-N 402.495 1.763 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(CCNC(=O)OC(C)(C)C)CC1 1982281258 IBNHHZSRBKIQIO-UHFFFAOYSA-N 412.350 1.367 30 10 HDEE C=C(Br)CS(=O)(=O)NCCO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1982301643 DKTLFWMIIBAVQL-GFCCVEGCSA-N 413.334 1.840 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@H]4OCCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2052553000 ARAOJDRYJCAIEM-WOJBJXKFSA-N 422.338 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@]1(C)CNS(=O)(=O)N1CC[C@H](C#N)C1 2174784174 LDXUUJMBHMYEHF-DOMZBBRYSA-N 408.471 1.701 30 10 HDEE CC1(C)OB(C2=CCC[C@H]2NS(=O)(=O)C2CCS(=O)(=O)CC2)OC1(C)C 2196836716 LTMHGTHPEYRQAJ-CQSZACIVSA-N 405.347 1.203 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243430374 QBLBQPUUAVPVEX-UHFFFAOYSA-N 408.304 1.499 30 10 HDEE C[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2247916618 BCAQJLWUHSQSQV-CYBMUJFWSA-N 422.335 1.942 30 10 HDEE CC[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247921513 PZFSTPPWKLKTPD-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C=CCN3)cc2Cl)OC1(C)C 2267364433 ZDIGPWZOZIHXLH-SNVBAGLBSA-N 404.750 1.507 30 10 HDEE CCON(C1CNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282326372 RNNWLZAYIIJYHL-UHFFFAOYSA-N 402.347 1.270 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282334813 HAXPFKQPFURUJT-RUZDIDTESA-N 403.331 1.419 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCO[C@H]2CC2(F)F)OC1(C)C 2282338103 OURSFXQAAIJOJU-NSHDSACASA-N 409.285 1.750 30 10 HDEE COC[C@](C)(CCO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346359 NJSSXASTFDXGAK-INIZCTEOSA-N 405.347 1.113 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282413659 IDZRSACCROLCKI-CYBMUJFWSA-N 402.391 1.807 30 10 HDEE CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495927 TUKPZVFMKQUUFN-LLVKDONJSA-N 402.347 1.192 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498665 HLFVXQPVCZSRSX-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CN([C@H]1CC[C@H](O)CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282505124 ZAUYDYRIVOMURP-JOCQHMNTSA-N 401.359 1.971 30 10 HDEE C[C@@H](O)CN(C1CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510459 YTZVUNLOGQMKKY-LLVKDONJSA-N 402.347 1.117 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H]1CCN(C)C1 2282829736 JJLVRYYAWQCYPB-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282849619 DUCLXLAJUJBTHA-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](O)C(F)(F)F 2282850802 TURLJBBQMVNYCP-KCJUWKMLSA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2(C(N)=O)CCCC2)OC1(C)C 2282856036 MRZPUAVZPMAGIT-UHFFFAOYSA-N 400.331 1.124 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H](CO)CC3)s2)OC1(C)C 2282862401 BZWJHKIWUCFODK-BETUJISGSA-N 401.359 1.877 30 10 HDEE CNCC[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282866144 FAPJGZOYLGQHBS-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC([N+](=O)[O-])C2)c1B1OC(C)(C)C(C)(C)O1 2282870396 RIWAFESNHKPTFT-UHFFFAOYSA-N 402.303 1.314 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C 2282879923 ARUSZWHXJOVVEF-BETUJISGSA-N 400.375 1.760 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284405506 LQLXQDWRMBXBKU-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE C[C@@H](CCC(=O)O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284413763 NHSMUVKFPSHNPQ-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2C[C@H](CC(=O)O)C2)OC1(C)C 2284415888 REITVFYQKNYSCN-XYPYZODXSA-N 401.315 1.579 30 10 HDEE O=C1C(=O)N(CCO)[C@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296183401 WVCZFYCIMGZLDA-MRXNPFEDSA-N 413.342 1.917 30 10 HDEE CN(C)c1cc(C[C@@H]2CN(c3nccc(C#N)n3)CCN(C3CCOCC3)C2)ncn1 2296587701 MKWUARXETLUJOL-KRWDZBQOSA-N 422.537 1.364 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@]2(O)CCN(C(=O)OCc3ccccc3)C2)CCC1 2319402678 CWXFPBPHNKOEFQ-XLIONFOSSA-N 406.504 1.058 30 10 HDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)CC1 2342038790 AIISJNKISOFWOR-JXFKEZNVSA-N 421.471 1.496 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1 2367794465 ZZDRFFKHCABNIG-KXBFYZLASA-N 400.541 1.619 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367807274 RRTRQCQHFUJKOW-ZRGWGRIASA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367810200 UZSZVSUQPFZDLN-KXBFYZLASA-N 400.541 1.307 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1 2367830315 HYQSGZJWBYLJGL-JKSUJKDBSA-N 400.541 1.163 30 10 HDEE NS(=O)(=O)c1ccc(/N=C2\NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1 39843622 FIHQTGWVXYONNG-CQSZACIVSA-N 422.463 1.721 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(I)c2)CC1 53309251 TYRUNJCGRIRELB-UHFFFAOYSA-N 413.259 1.351 30 10 HDEE C[C@H](Oc1cccc(C#N)c1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 108986745 GHTAHLGIRVDHNN-HNNXBMFYSA-N 423.498 1.739 30 10 HDEE CC1(C)CC(=O)c2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)c(=O)[nH]c2C1 111141441 CLDZDIUNLFBAQY-UHFFFAOYSA-N 405.458 1.759 30 10 HDEE C[C@H]1CC(O)C[C@H](C)N1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 429313949 DXCIEBOXUDRPGZ-GJZGRUSLSA-N 413.478 1.689 30 10 HDEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@]2(CCO[C@H](C)C2)O1 431248504 RCURFBOMZAPBGW-GUXCAODWSA-N 406.504 1.658 30 10 HDEE Cc1ccc(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)cc1S(=O)(=O)NCC#N 436096857 APUSHDNADFVWHJ-INIZCTEOSA-N 412.471 1.653 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 437927043 BPLRITGSOSCEPS-TUFLPTIASA-N 412.534 1.866 30 10 HDEE CCO[C@@H]1C[C@](NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)(C(=O)OC)C1(C)C 444764046 AKNIQLZOKDHJTM-LZJOCLMNSA-N 408.543 1.015 30 10 HDEE COc1cc(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccc1C#N 460577658 VUWRNNDVJMVRHD-SFHVURJKSA-N 417.425 1.960 30 10 HDEE COc1ccc(C(=O)NCCNC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 462087968 LEIZBXSCXHCICM-UHFFFAOYSA-N 405.418 1.699 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCc3nc[nH]c3C2)nn(-c2ccc(F)cc2)c1N 462350661 BJOGMGKVUXZNLJ-CQSZACIVSA-N 422.468 1.978 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c2c(nn1C)CCCC2 462642678 QECLUKUHJIFEIH-ZDUSSCGKSA-N 401.492 1.154 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCC[C@H]3O)nnc12 464169381 NGEPGFICWFRAQL-XJKSGUPXSA-N 413.503 1.600 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)Cc1nnnn1C 466480421 CJOWNALDHZTVOJ-CQSZACIVSA-N 412.498 1.012 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)cc1C#N 489894374 VZIGLBHWNUMRSE-CYBMUJFWSA-N 404.414 1.874 30 10 HDEE COc1cc(C#N)ccc1CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506615317 YGNHXKYEYBSDHX-HXUWFJFHSA-N 422.533 1.922 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(F)(F)F)ccc2C(=O)OC)C1=O 508948867 MRLQYMWKDRFQAB-UHFFFAOYSA-N 413.308 1.407 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 516325129 IWOYELZTMIZQKW-OWCLPIDISA-N 418.519 1.648 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CN2CCC1CC2 522041109 ONAJXYWCQHIWIS-FQEVSTJZSA-N 416.547 1.512 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1C[C@H]1CCCO1 531842476 JGGPYPAVFOXDAF-GFCCVEGCSA-N 421.881 1.130 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)NCCC(N)=O 533875594 BTRNLEOCTLIUHA-MAUKXSAKSA-N 408.458 1.045 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(OC)cc1OC 546732647 MSGLWVZKUAMOAC-KRWDZBQOSA-N 408.407 1.907 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)cc1 546876387 ANJPNLJZYJIHBN-MRXNPFEDSA-N 405.458 1.664 30 10 HDEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@H](CNC(=O)CC(F)(F)F)C3)C2=O)cc1 560414928 JEFYTUBFVZGWER-GDBMZVCRSA-N 422.407 1.971 30 10 HDEE N#CCN(C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12)C1CC1 562241169 JQGXOGPFBAZPND-CYMYHSCOSA-N 401.466 1.980 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1(C#N)CCCC1 566640347 FRZWCGXFDWYOIY-UHFFFAOYSA-N 420.535 1.588 30 10 HDEE COc1cc(CNC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N 566652702 YDUTVLKXUMXVEH-INIZCTEOSA-N 413.522 1.841 30 10 HDEE CN(C)[C@@H]1CCOc2c(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)cccc21 581042417 IKULWEQJKDBNDC-GOSISDBHSA-N 414.487 1.860 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 583462310 DJORLDHHYKROQC-DLBZAZTESA-N 411.483 1.950 30 10 HDEE CCOc1ccccc1NC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585227063 LVEFAPDYXRBGRJ-UHFFFAOYSA-N 408.462 1.718 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)c(F)c1 585693608 URGWRUUKAXFOOT-HXUWFJFHSA-N 410.449 1.503 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c1 603677795 ZGAFELMQPPXCIZ-FQEVSTJZSA-N 410.449 1.973 30 10 HDEE CCc1nc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 610808934 HHFJYYVXKSSBSE-XJKSGUPXSA-N 417.491 1.924 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727418735 WTEVBFYTHBTPAF-UHFFFAOYSA-N 404.451 1.391 30 10 HDEE CC1(C)Cc2cc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)ccc2O1 729671056 CAJMVRKMKDDSID-KRWDZBQOSA-N 407.495 1.829 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 734270792 ZJBITAHVSGILNM-UHFFFAOYSA-N 417.579 1.369 30 10 HDEE COc1ccccc1C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742176775 OCOZJUQMLXEPCS-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CNS(=O)(=O)c2cccs2)CC1 742193372 GYBLNLGRXQVLBS-UHFFFAOYSA-N 404.517 1.683 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NN=CCN2C(=O)c3ccccc3C2=O)nc1 755644407 DWVDWRDDZKHPRA-UHFFFAOYSA-N 401.448 1.462 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NCCC#N 756748254 JPHMBLCHGHRYQS-NSHDSACASA-N 417.281 1.432 30 10 HDEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H]1CCS(=O)(=O)C1 758309600 YWAWFMCOBFXZIP-UONOGXRCSA-N 420.478 1.528 30 10 HDEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1c1ccccc1 759956076 NYDRKESZTBKSHX-PXNSSMCTSA-N 412.515 1.677 30 10 HDEE C#CCN(C(=O)[C@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 760453722 SMLQAWPXDYXQMD-PKOBYXMFSA-N 402.516 1.695 30 10 HDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)CC2(C#N)CCCC2)C1=O 767531606 BCRCHEOENLRSEM-SFHVURJKSA-N 404.492 1.848 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)CCN1C1CC1 773311876 PHULGYQTXMCOBR-IBGZPJMESA-N 421.501 1.513 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 780939003 GLKANKWEGZCNBB-LEWJYISDSA-N 404.470 1.541 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)NCCc2nc(C(=O)OCC)cs2)c1 787909810 YMZAKZZHHVSTBF-UHFFFAOYSA-N 401.444 1.629 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 795818002 BNUVKMKWAPURIX-KFKAGJAMSA-N 411.458 1.974 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](OC(F)F)C1 802308410 BLGAELLYROICLG-JSGCOSHPSA-N 415.462 1.980 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 805783389 XDQBRVRDULYJLR-PMACEKPBSA-N 421.563 1.703 30 10 HDEE COc1ccc(N2CCN(C(=O)Cc3noc(-c4ccnc(C#N)c4)n3)CC2)cc1 809465250 VBKZKWGONONLFU-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)cc1C 810091299 OKECZHOIHBZOLP-UHFFFAOYSA-N 421.567 1.364 30 10 HDEE C#CCN1C(=O)C[C@@H](N2CC[C@H](Cc3cccc(I)c3)C2)C1=O 821772095 XUARPCMJFYSUSM-GDBMZVCRSA-N 422.266 1.916 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 827862553 IVVVZRNYOZXZBM-KXBFYZLASA-N 404.422 1.575 30 10 HDEE CCc1cccc(CC)c1NC(=O)[C@@H](C#N)C(=O)Cn1cnc2c(cnn2C)c1=O 916903085 KNQKFRQLVVPKEA-HNNXBMFYSA-N 406.446 1.602 30 10 HDEE COC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 920336935 XKMRGMDHAJWPDB-ZDUSSCGKSA-N 402.428 1.758 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1O 1084489152 JGJFOLUOYVVXSV-UHFFFAOYSA-N 420.480 1.339 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCOC2)C1 1123085971 YWXXBZOQWZLUSN-LPHOPBHVSA-N 422.493 1.739 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OC 1132197098 NAZIOIDCVGHDBH-JLTOFOAXSA-N 403.435 1.086 30 10 HDEE C#CCN(CC(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1)C(=O)OC(C)(C)C 1137548732 AKRUVNTYROMUEG-UHFFFAOYSA-N 424.475 1.686 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1138117539 JTUNTNZEUKVERD-XCVCLJGOSA-N 406.391 1.906 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)C(C)(C)CO)c1cc[nH]n1 1140031282 UAEYSQNJLIPTQV-GOSISDBHSA-N 402.451 1.570 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1146477455 GMCQBCDICIICOM-CXAGYDPISA-N 421.519 1.942 30 10 HDEE CO[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CCOC1 1146950583 MIGOQZNHDIFXMF-SJKOYZFVSA-N 408.296 1.925 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC(n2nncc2I)CC1 1147396191 KILNQYHLMPKIOH-UHFFFAOYSA-N 403.268 1.554 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc2c(N)ncnc21 1161505606 IRKWCHSKIHUSMI-NSHDSACASA-N 409.878 1.561 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1Br 1189297897 FMNDCPGAAKBLHX-HNXYLICVSA-N 416.272 1.734 30 10 HDEE CC(C)N(CCCNC(=O)COc1c(Cl)cc(F)cc1C#N)S(C)(=O)=O 1189693787 RMSCHGMOWBBBRP-UHFFFAOYSA-N 405.879 1.906 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3C[C@H]4CC[C@H]3O4)CC2)cc1 1251772019 GIDFOHOHLDSXQJ-YQVWRLOYSA-N 418.519 1.532 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CCOC)C(=O)C1 1286354316 LFCXEAMHMMWTEX-UHFFFAOYSA-N 402.524 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)OC(C)(C)C 1286398582 LEBQLCZHAMSKTA-UHFFFAOYSA-N 414.510 1.502 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2OC)CC1 1286479899 PPHPMQXCHFZMLX-GOSISDBHSA-N 408.506 1.236 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286558594 POZFIJZPKFTKES-GHTZIAJQSA-N 416.570 1.566 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCCC 1286569518 UBHJRKNVCACXMP-UHFFFAOYSA-N 409.498 1.849 30 10 HDEE N#C[C@@]12CN(C(=O)C(F)(F)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1289207749 VIKUBAPEHKGPNG-FZMZJTMJSA-N 419.247 1.938 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)cs1 1290418173 QXBRZYOYNFZTNM-ZWKOTPCHSA-N 403.487 1.554 30 10 HDEE C#CCCN1CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1292438107 ZLIDFXJQAPMACC-NFBKMPQASA-N 413.518 1.970 30 10 HDEE CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1295458099 TYSTVXZCZDULOZ-VHEBQXMUSA-N 412.498 1.512 30 10 HDEE Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1299293741 WGTGIJUSSUYPOI-BPQIPLTHSA-N 403.504 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCS(C)(=O)=O 1300510888 APWMSWQVBCQZLU-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1(=O)=O 1300663718 DJMCLARDUGKHKA-MRXNPFEDSA-N 405.524 1.337 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1301060193 CELLHVWGTZFOFA-CZUORRHYSA-N 404.920 1.306 30 10 HDEE C=C(Cl)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1301060551 HZPRFLSLCDVTPI-INIZCTEOSA-N 406.936 1.552 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1301500321 KXXNPFMCGHLHIJ-HZPDHXFCSA-N 420.514 1.189 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 1301610490 ZESIRYKIIWSLQB-INIZCTEOSA-N 416.555 1.209 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(c2ccccn2)CCC1 1303410936 BWLQRYXBZIEBAZ-INIZCTEOSA-N 409.494 1.662 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)n1 1304484348 DTUWIQFOTYEDKW-HNNXBMFYSA-N 413.482 1.902 30 10 HDEE N#C[C@@]12CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]1CS(=O)(=O)C2 1308099976 KZQPPGINVZKGHM-NUTKFTJISA-N 424.320 1.573 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2)c2nccs2)CC1 1311922888 NOFYYIPPKXIKAW-MRXNPFEDSA-N 419.532 1.027 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1355574597 ODQUGWPYISJMDY-HNNXBMFYSA-N 402.451 1.973 30 10 HDEE C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)nn1 1355963612 ASCNMZZMZWPQPM-UHFFFAOYSA-N 404.496 1.043 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)nc1 1358872881 ZROKUXSTXBEHDL-LSDHHAIUSA-N 420.539 1.578 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1358913602 RYOCFAFFSVUVMA-QZTJIDSGSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358963828 OQJKZSTUNVHTAY-ROUUACIJSA-N 422.551 1.225 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC1 1359005008 RUXNPIDXBQAGTM-UHFFFAOYSA-N 405.510 1.866 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N(C)C)CC1 1359046044 BSGZIAUZVPYRFI-QGZVFWFLSA-N 409.538 1.180 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359131582 YOLPWCSFLYMCTL-GOSISDBHSA-N 415.542 1.430 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1359154045 BQTGSZBPOPKLIL-UHFFFAOYSA-N 421.933 1.537 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C(C)=O)CC2)CC1 1359182495 IKKBXWFNTDHMPY-LJQANCHMSA-N 402.543 1.696 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1359292486 QFTGFZWXFOUYAB-MRXNPFEDSA-N 408.510 1.687 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N[C@]3(C#N)CCc4ccccc4C3)CC2=O)cn1 1435936412 BJKUPPFDOIRGIO-XMSQKQJNSA-N 407.474 1.450 30 10 HDEE C#C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@@H]1CCCO1 1435965064 GYNDOXQTKBOLOJ-RDJZCZTQSA-N 418.291 1.817 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1442309399 CAIZBSGDNDEVKD-ULQDDVLXSA-N 409.527 1.683 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1447782131 KCOGLNVUHYAQNZ-INIZCTEOSA-N 420.514 1.179 30 10 HDEE C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1452499490 SMGCENKFYJMUNR-VHDGCEQUSA-N 418.494 1.719 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1460822060 YHVNBQFKWLNMIY-AWEZNQCLSA-N 400.294 1.864 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1464247211 GKQNUMVHQKLCCT-UHFFFAOYSA-N 404.470 1.914 30 10 HDEE C#CCCN1CCC(NC(=O)[C@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 1465396457 GZDQARQRIUHHSZ-OAQYLSRUSA-N 409.527 1.243 30 10 HDEE C#C[C@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1468172141 CBEQYGCBKRYQHW-IIBYNOLFSA-N 419.547 1.988 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 1470253320 KUYIZXAHCMBUDC-KRWDZBQOSA-N 405.520 1.702 30 10 HDEE C[C@H]1C[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCS1(=O)=O 1472045972 RLTGJIQALZLZIM-CMPLNLGQSA-N 401.282 1.781 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC(c2ccc(C#N)cn2)CC1 1473672903 URZUJBMGNINXLI-UHFFFAOYSA-N 413.503 1.727 30 10 HDEE CO[C@@H]1C[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)Cc3cccnc3N2C1 1473713944 FZPYURNVYJJTPV-QZTJIDSGSA-N 413.503 1.231 30 10 HDEE C[C@H](NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc2ccccc2o1 1473850429 NPMORYRCCZXSLT-VOMKJEOTSA-N 401.488 1.869 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)n1 1476801404 PQWAMINIJZIIKI-NRFANRHFSA-N 408.462 1.967 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)CC1 1478763493 FXJXUFLGUWLNBC-AAEUAGOBSA-N 411.505 1.843 30 10 HDEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1499523776 FPVFJLPZDOAJTE-PXNSSMCTSA-N 415.519 1.745 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503553866 UDANYFRPKDNTPT-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1507535909 JRDDRHXZNLBFRO-CJNGLKHVSA-N 414.897 1.968 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCC 1507664854 PYAWNZSKMPVJSX-QFIPXVFZSA-N 418.505 1.935 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1507690997 ZGKWKPHCSJGLOG-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1507691004 ZKBXCDDOESCJIG-INIZCTEOSA-N 423.564 1.489 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C 1507761303 LQDZZHUDAQQMDS-QIJUGHKUSA-N 417.554 1.643 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1507833462 USEAHOAIXXMIPQ-SFHVURJKSA-N 404.559 1.914 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1 1507846081 BZYVSMFVWSXBCV-GOSISDBHSA-N 418.567 1.747 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1508088627 UCBYWXUOSPGEFV-QGZVFWFLSA-N 401.433 1.987 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1508095574 YBUCTXPSYIPXQK-MRXNPFEDSA-N 416.501 1.829 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1510106224 GTPPUVHLXMWLEO-QGZVFWFLSA-N 423.521 1.063 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1518479377 IQTFJOAGQIIKIQ-ZWKOTPCHSA-N 413.478 1.412 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)NC1CC1 1519438655 XCQDDZWLSDBIRE-VHFSOBRXSA-N 420.489 1.503 30 10 HDEE C#CCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1520935036 JEPFHJPDCGJCAQ-QLFBSQMISA-N 402.488 1.230 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(I)cn2)n1 1525227010 XRIABCIEEXYWKN-UHFFFAOYSA-N 424.242 1.805 30 10 HDEE CNC(=O)[C@@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cc1ccc(C(F)(F)F)cc1 1530751159 JDJKDNZHWMPTJM-DGCLKSJQSA-N 408.384 1.451 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537132937 GIJRCCSMWJXJBV-IBGZPJMESA-N 413.499 1.851 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1537672952 WWQCEJMNOYVHRX-MPBGBICISA-N 414.466 1.360 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 1538078250 PUXBVZAVMLZOCC-UHFFFAOYSA-N 408.499 1.454 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)C(C)C 1538977969 ZARJGWJSVXBDKX-UWJYYQICSA-N 405.543 1.939 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1538996473 WUKDASNVGHLXDE-RLBWVDARSA-N 420.473 1.938 30 10 HDEE N#C[C@]12CN(C(=O)CCc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1539118379 MDEQXTJLULCGCH-BLLLJJGKSA-N 415.284 1.918 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539142595 UYMYSJNWYZFMPZ-OTWHNJEPSA-N 414.510 1.517 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539203917 WAPNYVANSKOTBQ-IYJVBRSBSA-N 412.581 1.113 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C 1539318632 UQNLYVOPATXYSS-IBGZPJMESA-N 407.522 1.901 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCN1CCCCC1=O 1539415755 GOAAYZDVNUWVIE-SFHVURJKSA-N 403.527 1.661 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1539446977 MKXSASQFHMSDMU-HSALFYBXSA-N 400.571 1.658 30 10 HDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539717640 OFSAKBQQDZOKPW-MRXNPFEDSA-N 412.494 1.998 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539744423 LGZQVLZAEKEJCJ-INIZCTEOSA-N 402.499 1.515 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3ccnc32)CC1 1539828400 JQBYUDCTVGSBRP-HOTGVXAUSA-N 419.555 1.819 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)CC1 1539849462 XDJNNPUUOGFTBO-OAHLLOKOSA-N 405.528 1.098 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCCCC2)C1 1540871590 PCDXOAXTRQELDS-MRXNPFEDSA-N 421.567 1.643 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1540909301 CWDDUMOEKYLWRK-UHFFFAOYSA-N 420.583 1.446 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1541074136 HRBVRXPESJTWMF-IBGZPJMESA-N 424.505 1.463 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1541216807 SISGKSBNSOYFGU-CVEARBPZSA-N 420.514 1.816 30 10 HDEE C#CCN(CC(=O)N1CCC(CNC(=O)c2cnn(C)c2)CC1)C(=O)OC(C)(C)C 1542602037 OSXOHILJFZOMKU-UHFFFAOYSA-N 417.510 1.259 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554244420 XXHUBJARQXUWJE-RAJOGRCSSA-N 400.483 1.230 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)NCc2ccco2)cn1 1554331133 VEXPEGQRFUDNQW-FQEVSTJZSA-N 408.466 1.718 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@H](C)N1CCOCC1 1555633303 OJCQXHSATDLNCK-ROUUACIJSA-N 420.558 1.853 30 10 HDEE C=CCN(C(=O)CNC(=O)c1ncccc1O)[C@@H](Cc1ccccc1)C(=O)OCC 1556205288 XIWWLDIASRVZJO-KRWDZBQOSA-N 411.458 1.706 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C(=O)OC 1556969706 BPEVXNZMCKWVED-JKSUJKDBSA-N 412.533 1.076 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(N)noc3c2)s1 1557105905 PFUXMNAQKRFNBU-UHFFFAOYSA-N 406.489 1.795 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@]3(OCCO)CCOC3)C2)C1 1557430589 JMVPLLJMZLXGNE-IUTMSDBMSA-N 423.510 1.057 30 10 HDEE N#C[C@]12CN(C(=O)[C@H](c3ccccc3)N3CCSCC3)C[C@H]1CS(=O)(=O)C2 1558642745 BWFSFWSYHIELPU-JENIJYKNSA-N 405.545 1.173 30 10 HDEE COc1ccc([C@@H](OC)[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1564448889 ZUSIZNZDPBTQOR-CJCBUOBESA-N 407.492 1.351 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1565163695 MNUSAFAXZGQQNB-SFHVURJKSA-N 402.495 1.269 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC1CCN(CC#N)CC1 1565738260 OMRULDWEBGWKGK-WMZOPIPTSA-N 421.586 1.564 30 10 HDEE CCOC(=O)[C@H](C)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1566190321 SRVHQPLCASALKA-CQSZACIVSA-N 409.508 1.601 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nn(-c3ccccc3)cc2Br)CC1 1566317525 BCEYTAZUSURSLT-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE COc1ccc2nc([C@@H](C)NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 1567877619 MEYYLYWJDZKOTO-GFCCVEGCSA-N 413.459 1.599 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1 1568955757 CIAUASPAYUPBBO-PGRDOPGGSA-N 412.490 1.999 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1569215595 PMDUIUQXNKAFSF-UHFFFAOYSA-N 418.397 1.073 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(N4CCOCC4)CCOCC3)cc2C1=O 1584528454 YFLLNKWPKWMOIK-UHFFFAOYSA-N 413.474 1.080 30 10 HDEE COC(=O)[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccnn1C 1585890208 YRYSDELSSMXUNV-ZFWWWQNUSA-N 407.471 1.728 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1588049950 OFBPVKYVIOOLMG-AWEZNQCLSA-N 419.507 1.289 30 10 HDEE CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 1588146263 ZUMNIFWEQAGACH-KGLIPLIRSA-N 402.517 1.066 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1nccnc1C 1588161932 CJJWGXNIRAQBEW-UHFFFAOYSA-N 419.514 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nc(C)c(C)s1 1588558880 AFPXDCHZTWHRHR-UHFFFAOYSA-N 416.551 1.916 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1Cc1nnc2n1CCC2 1588659516 KJNSUMIIUNUJTH-UHFFFAOYSA-N 409.469 1.680 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1ccc(C(N)=O)nc1 1588673731 YMTPTBMXTGYHMU-UHFFFAOYSA-N 410.503 1.559 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1589580214 NGPIBKSMQJYUTD-HZPDHXFCSA-N 411.572 1.638 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1594819937 PIZWEYBXOKEOID-NRFANRHFSA-N 418.542 1.884 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1595719789 IYPSMNKJYIRGNO-KDOFPFPSSA-N 402.476 1.447 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1595807631 HYMVMRRZURYSAH-AAEUAGOBSA-N 407.264 1.978 30 10 HDEE N#C[C@]12CN(C(=O)CN(Cc3cccnc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1598567223 HBJBNLITDJQBSK-GHTZIAJQSA-N 410.499 1.485 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)O)CCOC1 1610894015 GRSPWVKGUFLFCT-UTKZUKDTSA-N 418.542 1.266 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1611359463 AQNWCRQGGYETHF-AWEZNQCLSA-N 400.483 1.590 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1612878310 SCZZCHBPIMZRSZ-YJBOKZPZSA-N 410.478 1.289 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1612878804 XSGUBFSVHOOVCX-VQIMIIECSA-N 424.505 1.679 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1613025624 FNWXUNFYCZEABC-IGNZVWTISA-N 406.849 1.975 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CC=CCC1 1613558514 DRHHFQKMTYEZQE-FQEVSTJZSA-N 403.506 1.900 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCOC 1616911619 QVXZAZUDHFVXBZ-UHFFFAOYSA-N 416.530 1.481 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619537026 FAQBQPCWDVUPQZ-LEWJYISDSA-N 410.522 1.832 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1620356731 HBIKXSGAFBGHAC-RRFJBIMHSA-N 414.432 1.743 30 10 HDEE Cc1csc([C@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1620560139 MHPJXZUPTRBNPR-HNNXBMFYSA-N 400.508 1.758 30 10 HDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 1626148853 OICAAVQPEHPGES-NRFANRHFSA-N 420.465 1.607 30 10 HDEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)N(C)C 1628569184 HPYKSFHLDXMHOO-UHFFFAOYSA-N 404.467 1.935 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(CO)CCOCC2)C1 1631119699 GQOKAWFVRIAOPA-UHFFFAOYSA-N 408.296 1.662 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1632783219 IHJTVPIQRALSIR-GOSISDBHSA-N 413.430 1.809 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)o1)S(C)(=O)=O 1633446223 MLYLIPHUBXSMBO-HNNXBMFYSA-N 417.491 1.199 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(C)c3c(cnn3C)c2=O)C1=O 1635568837 WCKPEUTWQMLYAK-HXUWFJFHSA-N 416.482 1.588 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(NC4CCC4)CC3)C2=O)cc1 1636924300 YUHUZMBGMJIZMH-LJQANCHMSA-N 409.490 1.896 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C2CCCCC2)C1 1641721157 AXZAIOJMQNMDFJ-OAHLLOKOSA-N 404.536 1.638 30 10 HDEE C#CCN(CC(=O)NCCc1ccc(S(=O)(=O)NC)cc1)C(=O)OC(C)(C)C 1643734784 DZBUQLYGEWDEFJ-UHFFFAOYSA-N 409.508 1.124 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)CC1 1643888752 IRMWGSAVJMBVJM-KRWDZBQOSA-N 421.542 1.331 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2ccccc2F)[C@@H](C)O)cc1S(=O)(=O)NCC#N 1644393375 ZECCXVWRQGRNGX-FZKQIMNGSA-N 405.451 1.788 30 10 HDEE O=C1C=COC2(CCN(CC(=O)NCc3ccccc3CN3CCCC3=O)CC2)C1 1648473568 LLNCSAVOSVDIAB-UHFFFAOYSA-N 411.502 1.763 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN[C@@H]2CCOC23CCOCC3)CC1 1648562906 BEWDPWIDZMPDAE-SJLPKXTDSA-N 404.536 1.385 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCOCC1 1648678459 DOOQYVQCEOZBFU-UHFFFAOYSA-N 405.398 1.420 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1F 1655295642 OFBAXQCZCZXYEJ-NHYWBVRUSA-N 408.904 1.354 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)c2ccc(Cl)c3ccccc23)c(=O)nc1O 1656067441 HZRIYUXZBXIRAO-UHFFFAOYSA-N 404.835 1.606 30 10 HDEE CC1(C)C[C@H](O)CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1659811643 QHSQWMAIZAHVCJ-HNNXBMFYSA-N 413.478 1.548 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CC1 1671329017 DYOHVPIXOBVUOQ-UHFFFAOYSA-N 423.514 1.201 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)CC1 1671635181 QTEZJJRGKONEEC-UHFFFAOYSA-N 413.927 1.426 30 10 HDEE C#CCN(C(=O)Nc1cnc(OC)c(Br)c1C)[C@H]1CCS(=O)(=O)C1 1674402834 UBKIUJOTMBSWNT-NSHDSACASA-N 416.297 1.815 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21)[C@@H]1CCCO1 1680314099 IKPWGFJDKULGMZ-XHSDSOJGSA-N 415.494 1.754 30 10 HDEE N#Cc1ccc(CNC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)nc1 1681739909 UHQCKPFHCDYSIJ-PXNMLYILSA-N 408.443 1.884 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1c1ccccc1 1682390364 XYVMZYNPQQWODL-DLBZAZTESA-N 410.478 1.917 30 10 HDEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1683322040 GRRHDZKSIRXHLQ-UHFFFAOYSA-N 413.496 1.665 30 10 HDEE C#CCN(C(=O)NCc1cccc(COC[C@H]2CCCO2)c1)[C@H]1CCS(=O)(=O)C1 1684196484 JUGWPUSQYUKCFE-VQTJNVASSA-N 420.531 1.714 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)O2)[C@H]1C 1685277363 REGZFSZRSJXELA-QTIHUPTLSA-N 414.510 1.541 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1689928038 GGGGIGKZOGBSBH-GOSISDBHSA-N 423.477 1.877 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689940466 ZVMNSSCBAAWGKG-GOSISDBHSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689988836 XFXLBPIFSFUONJ-QZTJIDSGSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 1690047756 YEZBWAUXQPHREH-RBUKOAKNSA-N 418.563 1.992 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@H]1C 1690067389 YMUYOESNMCMLFI-IIBYNOLFSA-N 406.494 1.931 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2ccsc2)CC1 1690120116 HBUXSHUGPAEHDU-FQEVSTJZSA-N 409.519 1.460 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCCCC2)CC1 1690128735 JFPQBKWVZXAQGP-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1690469735 ZSWUTNXBIGFLLZ-UHFFFAOYSA-N 400.483 1.938 30 10 HDEE C=CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1690752554 LTUHHHRZDBOSGD-HXUWFJFHSA-N 421.567 1.660 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1691371158 NYGGSEVKBLAYNT-WBVHZDCISA-N 410.478 1.214 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696899018 FAZVSAPCLKTXBM-HZPDHXFCSA-N 401.515 1.078 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc2c1OCO2 1698171220 PEIDNWXPKJPGAC-ZBFHGGJFSA-N 415.450 1.508 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCC(=O)N2CCOCC2)c1 1698484026 DGCNRYWEVAXIBC-UHFFFAOYSA-N 416.432 1.911 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705552275 XEQPVEGBACTXPW-MRXNPFEDSA-N 411.491 1.083 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1705609560 ILZVCJIYTQIHIR-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCNS(C)(=O)=O 1705622870 XSLAIYFZEQHVGC-UHFFFAOYSA-N 411.915 1.234 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(-n2cncn2)nc1 1705624361 YXYQHKYKJYAOHP-UHFFFAOYSA-N 418.461 1.957 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ncn(-c2ccccc2)n1 1705626700 FZPVHCIMTVFPKL-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCSC)CC1 1705643648 OCUVDRZOYJNYJE-UHFFFAOYSA-N 418.567 1.233 30 10 HDEE C=CCCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)C1 1705804475 CAOFRNDONQNOJG-UHFFFAOYSA-N 417.539 1.531 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(NC(=O)CCC)CC1 1705899904 KFOKIJVKMLKDAH-UHFFFAOYSA-N 413.526 1.471 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCN(C)C2)C1 1705917640 XCHKBURUJIUKIW-UGKGYDQZSA-N 413.522 1.802 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1709339501 DOGFYNKQEFDFCJ-LZICOFPGSA-N 423.477 1.482 30 10 HDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1709674570 BHHJLNRBMTWWHR-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(CCC#N)CC1CC1 1711399963 AZTWIROVGBBVQK-UHFFFAOYSA-N 420.477 1.860 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1F 1712838024 LNTSDIIUPYDCBS-QAPCUYQASA-N 412.469 1.860 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1722353430 VWZWITGJIAEULS-KBPBESRZSA-N 417.482 1.116 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(C(=O)N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722365078 CNNFFWZFUGNTIT-INIZCTEOSA-N 421.567 1.116 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCC)CC1 1722432098 SHRPFCIFCCJVQA-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N(C)C 1722447426 NATWIPJVLDFNML-CVEARBPZSA-N 400.483 1.211 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722457409 DDOXZUICQISHPC-UHFFFAOYSA-N 423.550 1.470 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722458985 ZKBASDIOORWHQM-MRXNPFEDSA-N 409.581 1.526 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722502810 ASSZASRBTFEZME-IAGOWNOFSA-N 409.556 1.608 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722537232 VSNSNWPTXKXWRN-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)C1 1722709529 RWKFNHCHPFUPIE-GOSISDBHSA-N 423.521 1.969 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCSC2)C1 1722723096 WBIHULHGOHXEKA-YLJYHZDGSA-N 401.536 1.913 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1cccnc1-n1cccn1 1722861250 GULXMMVLFAJEJS-OAHLLOKOSA-N 407.482 1.641 30 10 HDEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1729343713 XHZNGJPWEWAZTO-UHFFFAOYSA-N 424.553 1.402 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CC(F)(F)CO2)c1 1731179878 AMHAPHCRKCPVDJ-OAHLLOKOSA-N 407.446 1.810 30 10 HDEE C#CCCCC(=O)NC1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1736428866 NKKSINNVZCSHQR-GNBHSNQFSA-N 400.519 1.870 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1740601498 WJRRYHDXKRAKHW-GFCCVEGCSA-N 413.450 1.315 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ccc(F)cc1 1740630497 IWDGHGZXSLPCOX-JKSUJKDBSA-N 417.510 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1740643505 JMVCKQKGDWLLRN-OAQYLSRUSA-N 407.499 1.670 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCC[C@@H](C)C2)CC1 1740690233 HQRUCLHBQSKOIT-WOJBJXKFSA-N 418.586 1.489 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1740696018 JYRZYTDOWLKPCP-VQTJNVASSA-N 400.571 1.659 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1740701155 WMFPHKSRWYDWKG-QGZVFWFLSA-N 421.567 1.242 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cc[nH]n2)C1 1740977608 WIZPURFHNZBJAX-HNNXBMFYSA-N 410.482 1.218 30 10 HDEE CCC1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1744943868 KLFOZILUTYQELP-CZIZESTLSA-N 422.493 1.888 30 10 HDEE CCCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1745541548 WPMWIPSCDPCVGS-OAHLLOKOSA-N 416.482 1.941 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1747665455 QJCZHXWBNVBABB-IBGZPJMESA-N 422.489 1.457 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1748172531 QEGOOWGHNICLHN-SFHVURJKSA-N 412.494 1.178 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748816101 WWHXTWSGORACOO-UWVAXJGDSA-N 422.551 1.716 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1NC(=O)CC1(C)C 1748901342 WSMBXGRVRMQNTC-SFHVURJKSA-N 407.522 1.517 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCn2ccnc2C1 1748906860 JPEKIUWMCGIALJ-ZJOUEHCJSA-N 422.533 1.924 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1748920381 LQOQYQBKACCXGM-UHFFFAOYSA-N 410.503 1.841 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1748965420 SJDBYRJRHSTGQS-NRFANRHFSA-N 417.941 1.675 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCOC[C@@H]2C)CC1 1748994110 AVTMMIVIPNSMKU-IBGZPJMESA-N 400.571 1.487 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2cncn2)nc1 1749558928 ZMQIJLQSLAHIQF-UHFFFAOYSA-N 419.493 1.717 30 10 HDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1750388614 QLXWZUVSUXAUMY-ZCNNSNEGSA-N 411.506 1.722 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1750904874 QTWATZMAYHCGBO-QFIPXVFZSA-N 407.522 1.825 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1760185855 FRLOMQCBYFZCAF-QGZVFWFLSA-N 421.567 1.162 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760217134 QBTHLPODZLCNOK-VZCXRCSSSA-N 415.457 1.329 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(C)C 1760218148 YXBOHAMCMBDJDK-WOJBJXKFSA-N 404.518 1.995 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2)CC1 1760253077 AUFKVZQOQINKIP-QGZVFWFLSA-N 416.551 1.000 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CCOC 1760296074 YTNASLYBGUKGNA-YLJYHZDGSA-N 423.583 1.141 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCS(C)(=O)=O 1760320075 RZVZCGHFLGEMPM-WBVHZDCISA-N 407.540 1.746 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760345909 ZBBUAJQMBJSBFO-AEFFLSMTSA-N 402.543 1.885 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1760388265 KFPGITKDBSHFQM-HNNXBMFYSA-N 405.528 1.117 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)CCOC)CC1 1760401262 DOXQHWKLQGPSPR-LPHOPBHVSA-N 412.556 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1760519727 NCPVFZUSJSVFOV-CEXWTWQISA-N 406.490 1.980 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(Cn2ccnn2)CC1 1760524220 RYOJBQOXXUGECK-QGZVFWFLSA-N 414.514 1.330 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCCC[C@@H]1C 1761238875 XTHODXHLIOBDDK-ZWKOTPCHSA-N 417.558 1.800 30 10 HDEE Cc1nnc(N(CCC#N)CCC(C)C)n1CCS(=O)(=O)N1CCSCC1 1762530435 HKPHZVLDZQGCEK-UHFFFAOYSA-N 414.601 1.731 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(O)(CC)CC 1766336052 RPOSMEYLKGTROP-UHFFFAOYSA-N 400.483 1.901 30 10 HDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1771051766 MUSOWSLQPCISSG-SFHVURJKSA-N 423.521 1.854 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC(O)CC1 1771179266 QKQGDMCOEPIMTB-QGZVFWFLSA-N 420.558 1.589 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CCO1 1771536985 GABLCYLDOYZJBY-QGZVFWFLSA-N 417.897 1.793 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccccc1S(=O)(=O)N1CCOCC1 1772790044 OFKZITNWHFFSEG-UHFFFAOYSA-N 416.411 1.076 30 10 HDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC4(CC3)C[C@H]4C#N)ccc2n(CC)c1=O 1849736147 QSWPMYIFHQPMOY-AWEZNQCLSA-N 416.503 1.517 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)cc1 1850986113 SIWWZXBRTGYOIU-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)NCC#CCN1CCCCCC1 1850994147 JAQFPIZEYJYSRG-UHFFFAOYSA-N 401.511 1.069 30 10 HDEE CN(CC#CCNC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)Cc1ccccc1 1851856899 WFUMFQKWYZTHPM-FCHUYYIVSA-N 409.530 1.679 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(CC#N)cc3)CC2)cc1 1852055850 DQAPLOWFPXHBKL-UHFFFAOYSA-N 412.515 1.917 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(S(=O)(=O)CC)CC2)c2ccccc21 1852440048 MAUNMRUTAKMZDS-UHFFFAOYSA-N 420.535 1.568 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc32)C(=O)C1 1853947575 VHAKNNOBJJAKSG-MRXNPFEDSA-N 411.439 1.094 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(C)no3)C3(CCCCC3)C2=O)CC1=O 1854091383 JDNNFUPSBHBWRV-QGZVFWFLSA-N 414.506 1.891 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(C)c(C)c3)[C@H](C)C2=O)CC1=O 1854334016 CZGCNWAJXQVXEQ-IEBWSBKVSA-N 411.502 1.580 30 10 HDEE Cc1ccc(Br)cc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854693975 LTRBLMRMRTZXFI-NSHDSACASA-N 414.281 1.284 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@@H]2OCCc3ccccc32)c2ccccc21 1855757884 NSEWWXQHYFXXDE-LJQANCHMSA-N 411.439 1.534 30 10 HDEE Cc1ccc(N2CCN(C[C@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)nn1 1855890553 VNPVWYDHMLMJCK-GOSISDBHSA-N 404.474 1.468 30 10 HDEE CC(C)(C)c1csc(CN2CCN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)n1 1856190301 HBBSYRJIXGCAFV-HNNXBMFYSA-N 403.552 1.847 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccnc2)C(=O)C12CCCC2 1856260961 CQSLNDIUPNJAEZ-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE Cn1cc(CCC(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)cn1 1856460383 XDLGBMZOYFQQKI-LJQANCHMSA-N 406.490 1.626 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)[C@H]1C 1856861080 KSJQLCZQJKEFFT-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(F)c(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857228600 QRHCJZYOKUHGKC-SJCJKPOMSA-N 409.408 1.811 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CNc1ccc(N2CCN(C)CC2)cc1 1871115207 UIJQSSQITRBFTB-UHFFFAOYSA-N 411.506 1.262 30 10 HDEE Cc1ccc(O)c(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874341894 VDCCWZALTCDWLU-IXJMWADBSA-N 403.508 1.983 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@@H](CS)C(=O)O)Cc1ccccc1 1885473711 BSXVQZOEWWDEIV-HNNXBMFYSA-N 411.524 1.513 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(OC)nc3)CC2)CC1 1889303457 RRUCVJQXXANRKH-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908253892 CEYGFAPCECJQEK-AALSBFMBSA-N 422.331 1.907 30 10 HDEE C=C(CO)Cn1c(C)nc(I)c1I 1934313509 CNAZFTCXERUJPO-UHFFFAOYSA-N 403.989 1.949 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)c1ncnc(N)c1C#N 1981890435 YFNFWVKHCGIMJJ-UHFFFAOYSA-N 421.502 1.786 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1985097079 AFFGOGJBJXRJKB-SBJFKYEJSA-N 410.320 1.811 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1[C@H]2CC[C@H]1CC(=NO)C2 2029311314 JWHHCJOEYVBBPY-GJZGRUSLSA-N 405.476 1.850 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl 2118171207 UPWZOJDFZPPTPO-CHWSQXEVSA-N 401.872 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)N1CCC[C@@H](C#N)C1 2174781733 IOXHERPFUOXCPV-QWHCGFSZSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174783246 ADOZUSORDIGRLE-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)([C@@H](CS(=O)(=O)N2CCOCC2)NC)C1 2183053509 QKNVOTBXKMMKLD-OAHLLOKOSA-N 403.545 1.098 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195306528 CQPQQCSMGULVSH-AWEZNQCLSA-N 403.545 1.501 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221671259 BSFFFBNACRWEEE-HUUCEWRRSA-N 411.296 1.995 30 10 HDEE COC1CN(S(=O)(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2241158079 QICCMTKDCXEVEW-UHFFFAOYSA-N 403.697 1.022 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243673838 AYYUWEWKVATNKT-NSHDSACASA-N 424.332 1.597 30 10 HDEE C[C@H](CCNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247818324 YTNOJWTXLXJMKM-GFCCVEGCSA-N 423.323 1.147 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827600 IJRTZLNAGOIEMY-QWHCGFSZSA-N 420.319 1.885 30 10 HDEE C[C@H](O)C1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267355936 IWJKKAQTVBVTTL-VIFPVBQESA-N 407.750 1.892 30 10 HDEE CO[C@@H]1C[C@@H](CO)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281937337 YKBZCORATOJNJE-WDEREUQCSA-N 401.721 1.923 30 10 HDEE CCCSC[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282336008 XGWFFMNHVJKKQD-GFCCVEGCSA-N 403.379 1.529 30 10 HDEE C[C@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)S(C)(=O)=O 2282396924 HENDDUCANJGZFE-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CCOC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282410915 YKXHLLUNQUGWBI-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499745 FQGYFXRTNJVWKK-RUZDIDTESA-N 405.322 1.172 30 10 HDEE CCON(CCN)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282502212 HVWDNSNCIPWARS-UHFFFAOYSA-N 404.725 1.540 30 10 HDEE CN(CCOC1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506259 PSKQOIOKILURSZ-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CO[C@H]1CNCC[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639470 ZZBNZKFBMILGEY-NEPJUHHUSA-N 400.737 1.807 30 10 HDEE CC1([C@@H]2CCCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282686631 VEISOADWRMCIOC-HNNXBMFYSA-N 403.288 1.534 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@](C)(O)C1 2282827082 WMOYMRAWQYDINM-YVEFUNNKSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@H](CCO)C2)OC1(C)C 2282831841 FLGIROZVMULVSG-TXEJJXNPSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2C[C@H](CO)C2)OC1(C)C 2282834954 OFWZOBHOUOGYMP-HAQNSBGRSA-N 401.721 1.688 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](CO)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282840076 DEIOAOAMGIVFPZ-CYBMUJFWSA-N 403.375 1.899 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@H](CN)C3)c2)OC1(C)C 2282848930 UNOIZKYJKBHIAF-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CC(C)SC[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854991 YDWBSYAIYWEXQH-LBPRGKRZSA-N 403.379 1.528 30 10 HDEE C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860137 VYEXZXKBGNDOBC-QWHCGFSZSA-N 401.359 1.971 30 10 HDEE CC(C)(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC(=O)O 2284400664 XOESLLFVERIVGF-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C(=O)O)C[C@H]1C 2284413681 AUEKRGUSMSAQSW-JDNHERCYSA-N 401.315 1.497 30 10 HDEE C[C@@H](CCC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284416291 WJRAFFHAKJEMLQ-NSHDSACASA-N 403.331 1.720 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(OCC(=O)O)C3)c2Cl)OC1(C)C 2284473657 AVUIUXMKCRWDKA-UHFFFAOYSA-N 401.677 1.626 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339662774 MKLMYVVWIMSCNA-NEPJUHHUSA-N 402.542 1.128 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@H](O)c1nn(C)cc1I 2361289119 YHEPBDGRDQTYCS-AAEUAGOBSA-N 405.305 1.935 30 10 HDEE Cc1cccc([C@@H](C#CC(C)(C)S(C)(=O)=O)NN)c1I 2365180639 SLUHGRAFFHIHPV-GFCCVEGCSA-N 406.289 1.931 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367789369 SMMJCRXJJSAKMY-GJZGRUSLSA-N 401.525 1.733 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367821021 IJXATHYYTROAEC-RBSFLKMASA-N 400.541 1.148 30 10 HDEE Cc1ccc([C@H](C#CC2(S(C)(=O)=O)CC2)NN)cc1I 2367856009 NHQMLGRSJBSQFI-ZDUSSCGKSA-N 404.273 1.685 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CC[C@@H](S(C)(=O)=O)C1 2368847106 MEMJRPSISADLBM-CHWSQXEVSA-N 400.375 1.840 30 10 HDEE CN([C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)CC1(C#N)CCOCC1 2369657390 SLDUFHINTYJBGS-KGLIPLIRSA-N 405.492 1.526 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@@H](O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2381076662 BWIRLFLGIODKCV-BZUAXINKSA-N 400.456 1.935 30 10 HDEE C=CCNC(=O)COC(=O)/C=C\c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl 6417635 XZWCEVZLEXQXIV-QMAVJUDZSA-N 401.872 1.063 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S[C@H](C)C(=O)OC)CC1 55078398 ZTRXZUGTFUKZFG-OAHLLOKOSA-N 405.520 1.400 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 90732244 CHDBQEDSXYYMSY-UHFFFAOYSA-N 403.416 1.914 30 10 HDEE O=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 96352739 OGBXZVGGFZAJDC-UHFFFAOYSA-N 401.400 1.881 30 10 HDEE O=C1/C(=N\NS(=O)(=O)c2ccc(Br)cc2)c2ccccc2N1CO 105804876 SYXIYIGUJPZMAG-VKAVYKQESA-N 410.249 1.428 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 169679722 CVGYUZNEGPYTQI-LEWJYISDSA-N 406.498 1.942 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 309935070 BRFQZCUDHITFIK-UHFFFAOYSA-N 404.320 1.829 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)C2)nc1 428805845 PFLYHMMWLWDSLJ-FQEVSTJZSA-N 402.458 1.908 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)cn1 433589689 DYOGFBGXTYJVGY-MRXNPFEDSA-N 415.479 1.171 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)[C@H](C)C1 440578956 NYNLWRRCDGVEOT-CYBMUJFWSA-N 408.462 1.379 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccccc3OCCO)C2=O)cc1 473547269 WWYLWGGOCQBNJE-GOSISDBHSA-N 422.441 1.451 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)CC1 479209704 BRPINTUVBPBNBP-UHFFFAOYSA-N 404.536 1.333 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 488812126 DYUXVIPUUBKCPM-MRXNPFEDSA-N 400.460 1.899 30 10 HDEE CCn1c(=O)c(C(=O)CSc2ccc(C#N)cn2)c(N)n(Cc2ccccc2)c1=O 495268354 VSOYRVZAZXPLII-UHFFFAOYSA-N 421.482 1.902 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506206449 CWVPBIPFHUMKKX-AOMKIAJQSA-N 420.554 1.840 30 10 HDEE COc1cc2nc(CN3CCN(c4ncccc4C#N)CC3)nc(O)c2cc1OC 506935453 ZWIYDKMLOLNQEE-UHFFFAOYSA-N 406.446 1.941 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C)c2ccc(F)c(Br)c2)C1=O 507675504 KZAINTKEIYYJOE-VIFPVBQESA-N 412.215 1.742 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(Cc2nc(COC)no2)CC1 508884765 JMMQZSCPQXBTHF-UHFFFAOYSA-N 413.482 1.694 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(CC(=O)OC)CC1 508914128 RPQFURNRSCEFOS-UHFFFAOYSA-N 412.494 1.628 30 10 HDEE Cn1nc(CC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c2ccccc2c1=O 510140533 RFQLIONPLSJERZ-GOSISDBHSA-N 401.470 1.713 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1C(=O)OC(C)(C)C 534052917 QWSDLWUQBYGCTM-YOEHRIQHSA-N 421.519 1.948 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 547394993 IVHFLEVXUGSNCB-LBPRGKRZSA-N 405.484 1.422 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)c1C#N 548212758 GESJVHKZPHCWPN-HNNXBMFYSA-N 420.491 1.090 30 10 HDEE NC(=O)[C@@H]1CCN(CC#CCN2CC[C@@H](C(N)=O)c3ccccc32)c2ccccc21 551389886 NHNYEYBVYKKRGH-WOJBJXKFSA-N 402.498 1.948 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC(C#N)(c3ccccn3)CC1)C2=O 558594416 WHSNSFOCUHNOPP-UHFFFAOYSA-N 409.490 1.966 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)ccc1Cl 564094450 UMJFGRYIGMJNQJ-LBPRGKRZSA-N 417.940 1.694 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2noc(-c3cccc(F)c3)n2)c1 566838479 BPOAPLLSFMXIEY-UHFFFAOYSA-N 415.406 1.342 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@H]1n1cccn1 566878614 ZECQICPGYUMQQS-YQVWRLOYSA-N 402.476 1.204 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 573523280 AFWUJUNRRLBERV-UHFFFAOYSA-N 419.489 1.888 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2C(=O)c3ccccc3C2=O)CC1 588215067 YXBBNENJFYDNIK-UHFFFAOYSA-N 418.457 1.471 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(S(=O)(=O)N(C)C)nc1 588935135 FQVVUJJPISPRMP-UHFFFAOYSA-N 402.476 1.492 30 10 HDEE N#Cc1nc(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)[nH]c1C#N 603641184 WQLUBLZDMCDRGL-UHFFFAOYSA-N 415.207 1.670 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 603782231 WUQSYSQGDVWGIU-UHFFFAOYSA-N 408.480 1.102 30 10 HDEE COc1ccc(OC)c(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 609156302 ACVDRUNEPICEBW-UHFFFAOYSA-N 417.487 1.787 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1CCS(=O)(=O)c1cccc(C#N)c1 611080943 UPQHLKVYYCZOBK-FQEVSTJZSA-N 423.498 1.461 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669803558 BZTQQACERWEQQI-WBVHZDCISA-N 403.508 1.658 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 702785594 PZIFVGKHBRXEDF-GXTWGEPZSA-N 415.899 1.718 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCOCC 727416552 HLTDMHBTIONIHX-UHFFFAOYSA-N 403.504 1.349 30 10 HDEE C#Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 729029739 GJRJKCXBVHXPPT-QWHCGFSZSA-N 401.444 1.133 30 10 HDEE Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 732152436 BIWRLVJDIOEQLG-NXHAUGRDSA-N 416.503 1.698 30 10 HDEE CN(Cc1cnccn1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 735568182 WWAYGOZRWVRYOZ-OQKWZONESA-N 402.480 1.953 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(N2CCCC2)cc1 741339643 HRCAAAQHHZCQLH-MRCUWXFGSA-N 412.446 1.685 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)CC1 748816387 SLDKXKKKPFFJFO-UHFFFAOYSA-N 412.578 1.124 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(n3)CCCC4)CC2)o1 750648486 DQGUBYLSHIDCMU-UHFFFAOYSA-N 409.446 1.634 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N(C1CCCCC1)[C@H]1CCS(=O)(=O)C1 751733998 LZHFNAQOBNWDGV-INIZCTEOSA-N 407.492 1.402 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614818 LQTCEWNNVFXFSN-HUUCEWRRSA-N 409.508 1.592 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)cn1 758093913 BEROJUDFLLBQRC-MRXNPFEDSA-N 412.515 1.085 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 758767914 JFOFRUQHKPLFCJ-LSDHHAIUSA-N 401.471 1.067 30 10 HDEE N#Cc1ccc(C2(C(=O)OCC(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)cc1 781401047 WMXFDFSYZOWYCU-UHFFFAOYSA-N 406.377 1.887 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Cc2ccncc2)C1 782840583 RCUODJIYOXDDJX-QGZVFWFLSA-N 412.515 1.992 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](O)Cc1cnn(C)c1 786859984 GOYDKTUIVPYHGG-CZUORRHYSA-N 402.476 1.757 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)cn1 788216924 DTUNJPJYIDFYMJ-IBGZPJMESA-N 402.520 1.834 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)n1 789208572 ZPFZFWBHHWNCQD-IRXDYDNUSA-N 405.499 1.541 30 10 HDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 798740834 CTHHMBREESIBCG-GKEQVRQFSA-N 414.466 1.437 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OCc1nc(N(C)C)no1 801214579 MCOINBHOOCGZLD-HXUWFJFHSA-N 411.418 1.344 30 10 HDEE CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802612511 OJBSJBOXRFSDOI-KRWDZBQOSA-N 401.515 1.117 30 10 HDEE CCOC(=O)C1=C(COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)NC(=O)N[C@H]1C 803922034 LKBKSVFOKZYSMR-NSHDSACASA-N 401.394 1.791 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccccc1Br 804959846 JHJDRECBCHHLSO-ZDUSSCGKSA-N 406.323 1.401 30 10 HDEE CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780816 GPVRFVGMGOFWFQ-HEWTWTGNSA-N 421.498 1.555 30 10 HDEE COC(=O)/C=C\c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 813729603 GYRVXVAVXGGUEN-VWTAQGJOSA-N 413.455 1.981 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)cc1 813980258 XTFRITPDYWNQHX-ZDUSSCGKSA-N 416.484 1.533 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN([C@H]1CCN(c3ccc(C#N)cc3)C1=O)CCO2 814664405 RCHSLFWQVCAZBX-SFHVURJKSA-N 412.490 1.985 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccccc1SCc1nnnn1-c1ccccc1 820185314 MOXLHCLACHVXBF-HNNXBMFYSA-N 410.459 1.675 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCC[C@@H]3c3ncon3)C2=O)cc1 1116108310 GBSLWHINCNYHAT-HZPDHXFCSA-N 408.418 1.900 30 10 HDEE COCC(COC)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1129697818 ATXZDBXVORGLPW-UHFFFAOYSA-N 410.312 1.669 30 10 HDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N(CC#N)CCC(=O)OC)C2=O 1132451834 KBTAVXKLVWDTSE-UHFFFAOYSA-N 420.510 1.819 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(C(N)=O)cc2)s1 1135591261 MJDDUJUGZIULPF-UHFFFAOYSA-N 407.517 1.512 30 10 HDEE C#CCN1CCCN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 1136861936 RASCGPBDRARLGS-UHFFFAOYSA-N 403.280 1.327 30 10 HDEE CCOC(=O)c1cn(CCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1139723102 ZPEOQVUJHOILNC-AWEZNQCLSA-N 407.471 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 1139787743 AGICYCOMMAAHRC-SJORKVTESA-N 422.913 1.934 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)Nc3cnn(CC#N)c3)CS(=O)(=O)[C@H]2C1 1142460872 AAVTVQGQKYEMHY-CFVMTHIKSA-N 423.495 1.015 30 10 HDEE C=CCCC[C@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OC 1155474659 IPABMYZUUKWYFO-ZDUSSCGKSA-N 402.444 1.038 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC(=O)NCC23COC3)n(Cc2ccccc2)c1C 1175917996 PPVILJGGDAIZCB-UHFFFAOYSA-N 407.474 1.164 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)c2)c1 1178395536 ZZTMACSSWRVNNB-IBGZPJMESA-N 414.483 1.759 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1191582564 FILKLBORZDUOBT-INDMIFKZSA-N 424.519 1.533 30 10 HDEE C=CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)[C@@H]1CCS(=O)(=O)C1 1203805821 OEHWFDXKDAHIKO-QGZVFWFLSA-N 421.519 1.819 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1226357838 CNTHDXSABUINFT-LJQANCHMSA-N 420.554 1.307 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1248374569 CJSIAQUTTXQDOD-ROUUACIJSA-N 412.494 1.056 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NC[C@H]3CCCS(=O)(=O)C3)CC2)c1 1251595270 BHKZCDMZCUEQJB-GOSISDBHSA-N 404.536 1.647 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)NC(C)C 1286404885 ZIPFKYXBFRSWDB-UHFFFAOYSA-N 407.474 1.704 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCC[C@@H]1NC(=O)NC1=O 1286526273 YRCBYSCIOBOXDJ-HRAATJIYSA-N 407.478 1.244 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)COC)CC1 1286563222 VAGLRXOGHRVORX-APWZRJJASA-N 414.510 1.549 30 10 HDEE CC(C)Cc1nnc(N2CCS[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287505778 MYJZVRDNFYMOJA-DNZUHHBVSA-N 404.540 1.945 30 10 HDEE N#Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c(C2CC2)c1 1289275110 WLXNQHNWDOOCQP-UHFFFAOYSA-N 424.482 1.808 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)c1ccnn1C 1299859962 GNHNCAHZNDBABO-KRWDZBQOSA-N 413.283 1.672 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1300309525 UMEOXZMRFYDNSB-AEFFLSMTSA-N 411.510 1.325 30 10 HDEE C#CCCCn1c(N2CCN(c3ncnc4c3cnn4C)CC2)nnc1C(C)(C)C 1300423951 BLBAVUTXCHLZKX-UHFFFAOYSA-N 407.526 1.992 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1300466091 UGEKBMBJKZLSOK-SFHVURJKSA-N 411.462 1.109 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300488712 UTVWCMWREBSFBV-AEFFLSMTSA-N 417.535 1.638 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1300537224 BEOLRCFCOUZEDN-KRWDZBQOSA-N 405.524 1.040 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1301305298 WHDTUEJCOWIJBX-UHFFFAOYSA-N 417.535 1.616 30 10 HDEE CC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1305827858 GNGAJNAHYCRBMC-ZWKOTPCHSA-N 423.521 1.852 30 10 HDEE C=CCn1cc(CNS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1309606386 RMMXACKPNBPRPS-UHFFFAOYSA-N 414.532 1.130 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C 1312354093 SILIJDBTRIOYKU-CQSZACIVSA-N 403.545 1.922 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1313359245 UGTHJQVPRDTAGW-AYHJJNSGSA-N 402.520 1.888 30 10 HDEE CN(C)C(=O)c1cccc(CCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1314625514 GRWUCNFKLXKRGY-MOPGFXCFSA-N 424.505 1.455 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1316537089 ZSKZIFIJWDJLCX-DLBZAZTESA-N 407.540 1.737 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1320321959 QDUZOFMJBRPSOZ-IBGZPJMESA-N 421.563 1.754 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 1320768621 SBWOIEWXYOCBAI-DYVFJYSZSA-N 410.352 1.289 30 10 HDEE C=CCO[C@@H]1CCN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)C1 1325224485 YCDMULAPMSSDEJ-HUUCEWRRSA-N 411.524 1.549 30 10 HDEE C=CCn1cc(C(=O)NCC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2C)nn1 1346445239 PCGDJHAXRPKYPA-QLCXLMDBSA-N 401.511 1.494 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1358874364 WSKUJTDSHNKMGJ-IIBYNOLFSA-N 403.527 1.695 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1358885881 SSNZNHDVIPKMHY-HOTGVXAUSA-N 424.505 1.794 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1358886424 DHYDANLJKFJETL-ASSNKEHSSA-N 405.462 1.530 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC=CCO1 1358972133 UZQWLTZHLCGLDL-SFHVURJKSA-N 410.499 1.767 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1359010783 ZBZHNJSUVIICKU-HOTGVXAUSA-N 402.524 1.414 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359216338 UTPRFIWATUIDPK-OAGGEKHMSA-N 407.540 1.394 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359293583 URGIWAONLCEJGL-QZTJIDSGSA-N 424.505 1.763 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359299793 NOCQCFBIDIBSFF-RDJZCZTQSA-N 413.526 1.722 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1359306449 GUPYBACNTBBXAM-GCJKJVERSA-N 411.506 1.838 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCC2)C1 1359319232 VONZBBZLMIXDCH-HNNXBMFYSA-N 418.523 1.484 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1359345875 TUXWGCSHJAUXEE-MRXNPFEDSA-N 403.556 1.726 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360672430 RDRIUCBOHIFQQX-ZIAGYGMSSA-N 406.512 1.884 30 10 HDEE C#C[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@@H]1CCCO1 1435965065 GYNDOXQTKBOLOJ-WBVHZDCISA-N 418.291 1.817 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)cccc2C(=O)OC(C)(C)C)C1=O 1438062020 FWBPKLLMVUZNPG-UHFFFAOYSA-N 401.419 1.866 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1441236654 GZIOHGUGMOCEPW-UHFFFAOYSA-N 416.474 1.753 30 10 HDEE C#CCN(CC(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC(C)(C)C 1441375545 UNYFOOBBQQXWNR-FQEVSTJZSA-N 400.435 1.550 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC)C(=O)N3CCOCC3)n[nH]2)c1C 1445236690 GOFGERGJVZLDGH-OAHLLOKOSA-N 400.483 1.443 30 10 HDEE COc1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 1456030805 LDVUFIHQEXSFCZ-UHFFFAOYSA-N 405.480 1.666 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(C)CC1 1464889431 CGJSMAAWZQHWFR-AWEZNQCLSA-N 402.923 1.303 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1466404561 HLYJDQHIMVAIAD-VCBZYWHSSA-N 414.524 1.146 30 10 HDEE N#CCc1ccccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1466626283 DYNROAFUOWDFHS-UHFFFAOYSA-N 401.444 1.731 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)Nc3cccc(CN4CCOCC4)n3)CC2)nc1 1467117517 AYEFZWLKDKSOHD-UHFFFAOYSA-N 421.505 1.971 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1471901492 ZXKJIUKHOPXSIG-QGZVFWFLSA-N 405.451 1.269 30 10 HDEE O=C(c1ccc(Cn2ccnn2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618860 LNEXVJGDURUHIQ-UHFFFAOYSA-N 405.414 1.844 30 10 HDEE N#Cc1ncc(N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)nc1C#N 1472741213 HOQLFFXZEJIZTA-HXUWFJFHSA-N 401.474 1.533 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)C1 1472908202 SZXHGGRNIQMFBC-IERDGZPVSA-N 414.462 1.961 30 10 HDEE COc1ccc(OC)c2c1CN(CC#CCN1C(=O)c3ccccc3C1=O)C[C@@H]2O 1473106789 ZJAKOWOLYVFULC-SFHVURJKSA-N 406.438 1.852 30 10 HDEE Cc1ccc(NC(=O)[C@H](C)N2CC[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1473663939 WCTKRGDWYCIPAI-JXFKEZNVSA-N 420.535 1.579 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CC[C@](F)(C#N)C1 1503275132 WGHFTHYPJZSYHQ-KRWDZBQOSA-N 410.475 1.618 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1504999689 OIIFHAVGINBHPG-SJLPKXTDSA-N 419.526 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1507531282 CIFUWSMBGZVCEX-HNNXBMFYSA-N 420.525 1.579 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1507536846 FDSSTPRGTCDENZ-HOCLYGCPSA-N 419.526 1.892 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507633813 IKHOUOFTXXBVQV-RTBURBONSA-N 415.563 1.770 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507635630 YAQHWCQEGBUIMQ-MSOLQXFVSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1507669484 MXOQBQSIUQDCOR-HOTGVXAUSA-N 424.617 1.492 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1nncn1C 1507713388 IHOZZTOKHRZOIH-UHFFFAOYSA-N 404.478 1.544 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](C)(C(N)=O)C1 1507752434 XFEMSSOYUVRUNR-LJQANCHMSA-N 416.507 1.074 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1507842097 CLVDAZPBDDTLMD-UHFFFAOYSA-N 424.509 1.946 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1)C1CC1 1507993335 PRMZJAUFGXWMFF-AUUYWEPGSA-N 406.508 1.836 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC[C@H]1C 1508092696 FTWHAYDXZLFIBM-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508159144 LBPBEGSWBGMUSD-HZPDHXFCSA-N 420.583 1.842 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)CN(C)C1=O 1509001240 JRRYGLYKRCLLGH-BTYIYWSLSA-N 423.525 1.257 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)c1ccc(Cl)cc1 1529938225 KHYXCKHPHWNDQT-UHFFFAOYSA-N 422.894 1.870 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)cc1 1531719663 SLMJQAXPJWIUIK-IBGZPJMESA-N 402.454 1.726 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C#N)c1cccc(Br)c1 1535447333 XUGLASJSHFZDLF-CQSZACIVSA-N 423.311 1.939 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccnn3[C@H]3CCCOC3)C2=O)cc1 1537368022 ANIKRZBIQULERH-DLBZAZTESA-N 422.445 1.950 30 10 HDEE C=CCOc1cccnc1C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1537447232 GZUCBKNGFJUNJI-BIWSTMPVSA-N 408.476 1.275 30 10 HDEE C#CCN(C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1537469270 NBCUHHVLGLBVOI-ZWKOTPCHSA-N 420.531 1.976 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538993452 LFCDRNSIBCNDIR-DLBZAZTESA-N 401.536 1.993 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CCC)C1 1539170962 DLZXWHLACIWAOL-KRWDZBQOSA-N 419.533 1.993 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1noc2c1CCCC2)[C@H]1CCS(=O)(=O)C1 1539202809 LLTYTEHTQDLNJR-HNNXBMFYSA-N 417.535 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCC(=O)NCc1ccccc1 1539324255 SBYXCDUFRWMWRB-FQEVSTJZSA-N 405.502 1.951 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1539409018 LTKCORSOSZUYSQ-KRWDZBQOSA-N 422.493 1.222 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOC(F)(F)F)CC1 1539453014 BAVVYWBJMQUPQC-UHFFFAOYSA-N 408.428 1.946 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1539556201 MPAQRWQNBQGRFO-VGOFRKELSA-N 422.489 1.134 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNC(=O)C(C)C 1539612098 ILYRSNZOXWHWKU-IRXDYDNUSA-N 420.558 1.606 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1)C1CC1 1540107617 BYBKCRPMLCCQNJ-CVEARBPZSA-N 409.556 1.056 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2nnnc2-c2ccsc2)CC1 1540472162 FTONXEMVBNBHFQ-QGZVFWFLSA-N 411.466 1.950 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nnc(C)s2)C1 1540890731 JEUPYMGOFCHIJN-GJZGRUSLSA-N 417.539 1.803 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1540905348 VNEGAQRWJYWOBF-KRWDZBQOSA-N 409.556 1.136 30 10 HDEE C=CCN(C(=O)c1ccc(NS(C)(=O)=O)cc1Cl)[C@H]1CCS(=O)(=O)C1 1542217036 MQDUFHXHSDNOON-LBPRGKRZSA-N 406.913 1.527 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 1542235122 MRUYXQXZCBWEBN-HJWRWDBZSA-N 405.458 1.483 30 10 HDEE C=CC1(CC(=O)NCCCN2CCC[C@H](C(N)=O)C2)CN(C(=O)OC(C)(C)C)C1 1542637820 LOEAYUNSCKOAEF-INIZCTEOSA-N 408.543 1.503 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@]3(C#N)CC34CCCC4)ncnc1-2 1543057280 BZZKWBMFZFQZQC-QGZVFWFLSA-N 418.299 1.501 30 10 HDEE COCCOC1(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555682404 HMLFSMLJLINODG-MRXNPFEDSA-N 416.482 1.214 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1555943513 QGQDJYAKEWBZAA-FHLIZLRMSA-N 415.519 1.865 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1555985041 GXSADBAUJGGYBP-YJBOKZPZSA-N 411.503 1.439 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC2(CC1)CCN(C)CC2 1556768047 KOMNHUFVPJFZJX-INIZCTEOSA-N 418.563 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1557941943 XWQNXEQTNNKDNS-FOIQADDNSA-N 408.474 1.161 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1587878758 GFTDWZWDHZLACR-IBGZPJMESA-N 422.507 1.241 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588055546 XMARWBSSJPAIOO-MSOLQXFVSA-N 422.551 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(C)CCCO2)CC1 1588955181 PYWZAGSGOJHWQV-HSZRJFAPSA-N 422.533 1.799 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCC[C@@H]1NC(=O)NC1=O 1589687957 VEUOVUNRVSWISD-INIZCTEOSA-N 414.514 1.530 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1593768295 CSCVKCXYMRVKFI-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)CC1 1594014444 RTMUQESSDLUQOR-INIZCTEOSA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1595530001 PDYRODNDEDNHPO-CQSZACIVSA-N 409.494 1.439 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCCn2cc(CO)nn2)C1 1595688465 JTSXDOLMQLITNZ-QGZVFWFLSA-N 413.482 1.802 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2NC(=O)CO3)cc1 1596163895 URPUDGVHANTLRQ-UHFFFAOYSA-N 400.416 1.462 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)cc2C1=O 1596949477 XJMCLLMAJWYDSE-UHFFFAOYSA-N 416.437 1.888 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1611307687 FNJOXFPDVCKMIW-PMPSAXMXSA-N 417.539 1.378 30 10 HDEE CCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)C1 1615799570 PVNALZCKFQZSIX-OGNFBWPZSA-N 406.506 1.786 30 10 HDEE CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1616456146 GLMYEUUSUUSPHZ-QGZVFWFLSA-N 410.478 1.576 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 1618221709 NWVYXNXYALDSFM-INIZCTEOSA-N 402.451 1.424 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3cnn(C)c3)C2)c1 1622301341 OGWDAEJJGSHKAK-AEFFLSMTSA-N 404.492 1.535 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)OCC)cc2Cl)CC1 1623498890 HYVYMOIGSLTNGR-UHFFFAOYSA-N 406.870 1.416 30 10 HDEE CC(C)[C@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)N1CCCS1(=O)=O 1624735214 TXDVXMPXQSNNDJ-GOSISDBHSA-N 401.492 1.802 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1625165596 QSXVOGHAIRMDDQ-OAHLLOKOSA-N 402.472 1.553 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1626037974 WUGQVOQNBHVQLH-GFCCVEGCSA-N 402.469 1.162 30 10 HDEE CCON(CC)C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1629461672 QJEAZVFGBYYNRW-UHFFFAOYSA-N 415.450 1.939 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](CNC(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1630111413 YAFARLGOQKIMHU-OAHLLOKOSA-N 401.316 1.815 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c1 1630351442 QCCAZOAMIOXVAN-SLJRNTSBSA-N 418.479 1.039 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1631992482 FKPFHWULYZMYQB-UHFFFAOYSA-N 423.494 1.905 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1634104607 BUTBCAPCCNPTCI-HNNXBMFYSA-N 405.451 1.002 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1 1635488542 UCJAKHPDLKXFKO-MBSDFSHPSA-N 402.454 1.984 30 10 HDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H](C)N1CCO 1635683392 YCGIHLGFQIKOLO-YDDNPURISA-N 420.554 1.687 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc3c(c2)OC(F)(F)O3)cc1 1638803804 MZECRJBYTHXGAZ-UHFFFAOYSA-N 409.370 1.474 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)c2c(Br)nc3n2CCOC3)n1 1642093006 NXJZSPMVKAPPNA-UHFFFAOYSA-N 414.223 1.880 30 10 HDEE Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1C#N 1644323943 LYYLBQFSMAVMKW-MJGOQNOKSA-N 417.462 1.446 30 10 HDEE Cc1c(C(=O)N2NC(=O)C[C@@]23CCN(C(=O)OC(C)(C)C)C3)cnn1CCC#N 1645102674 LVZQIVIJMXYFJC-LJQANCHMSA-N 402.455 1.362 30 10 HDEE Cn1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(-c2cc(F)ccc2F)n1 1648028448 BLEZJZUZTXSMPW-UHFFFAOYSA-N 412.356 1.196 30 10 HDEE O=C(CCS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC#C[C@@H]1CCCCO1 1648586236 GTLNSSVWTCPSTO-INIZCTEOSA-N 407.488 1.700 30 10 HDEE C#CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CCOCC1 1652143906 FLDMJTNCMSMFLC-UHFFFAOYSA-N 407.423 1.485 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(O)(c2ncnn2C)CC1 1654685916 TUYFDWLJMCMFEY-LBPRGKRZSA-N 400.508 1.548 30 10 HDEE C[C@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688755 FHVCXDCMUNBYBS-UWJYYQICSA-N 419.526 1.743 30 10 HDEE CN(CCC#N)C(=O)CCN1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2 1655170098 JHCHKMIZBDXZAM-OAQYLSRUSA-N 416.526 1.866 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1655391734 MJJZSCPYNOFXDK-MNOVXSKESA-N 417.285 1.512 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n(-c2ccccc2)c1C 1655749138 IRSSOTNKUSNOIB-CALCHBBNSA-N 412.515 1.881 30 10 HDEE CC(C)O[C@@]1(CS(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCOC1 1663720060 FDXOLHMRMUXCSF-IBGZPJMESA-N 411.499 1.733 30 10 HDEE Cn1ncc(Br)c1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1678168295 BJSGTUSTMNCPJD-UHFFFAOYSA-N 418.299 1.917 30 10 HDEE C#Cc1ccc(NC(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)cc1 1681090373 HKVALIJZXVZLRN-ZDUSSCGKSA-N 400.460 1.725 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@@H]3Cc4ccccc4NC3=O)C2=O)cc1 1681515107 FQLXHOHEFHZWLM-RBUKOAKNSA-N 403.442 1.916 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CC1 1682951217 GMVYJDGAYZIVPR-UHFFFAOYSA-N 410.474 1.725 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)CC1 1684050543 SBQIFOZYHBNPDI-UHFFFAOYSA-N 406.483 1.874 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 1684867781 CQKVSTKBBCSNMS-SJORKVTESA-N 419.526 1.091 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cc2)CC1 1684970658 VFJJKIWQXUOFEX-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1689988682 UMASHIMEYMBCDQ-HOTGVXAUSA-N 419.551 1.292 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC 1690009586 BXKMKVYSAHVWJB-UHFFFAOYSA-N 408.487 1.115 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(C)no2)CC1 1690142546 QCGMIWLCODXSTJ-UHFFFAOYSA-N 407.478 1.594 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690185377 YEPRQQWLRYYIHH-UHFFFAOYSA-N 421.567 1.256 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1690309899 NECYAUFKLIWJGA-QZTJIDSGSA-N 418.542 1.123 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690475428 RDQSNEXQYOUUGL-CALCHBBNSA-N 404.492 1.876 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1690643609 KIVZLLNJGHIINU-CVEARBPZSA-N 409.556 1.056 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690649831 XZEVMPWGXGQGLA-HXUWFJFHSA-N 416.551 1.757 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1690666833 IBYZFVYSLBJRJH-CQSZACIVSA-N 400.458 1.443 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCOC[C@@H]1C 1690729158 HQLKOWQNWVEXGG-KRWDZBQOSA-N 420.535 1.991 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1C 1693707131 HMSQPYWMWAIZKF-CABCVRRESA-N 402.524 1.848 30 10 HDEE CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1695790867 IFIGDGUMMMLHRL-OAQYLSRUSA-N 411.510 1.776 30 10 HDEE CCOC[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1696377838 RJEHAMTWEXUORS-HUUCEWRRSA-N 419.507 1.556 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CC1 1697012636 HIBYZJQVURZMCG-UHFFFAOYSA-N 422.518 1.977 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(N)=O)CCCCC1 1702954522 ZJJUUPMEHOXUAJ-NRKLIOEPSA-N 404.511 1.197 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705513755 XXQJFIOKVVLBPA-UHFFFAOYSA-N 402.524 1.615 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C(CC)CC)N1CCOCC1 1705539831 DPNIDSPLFKIPJF-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1705541491 KQGMEFOKSLUSEH-GFCCVEGCSA-N 411.915 1.668 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1705549894 MMQLCNLYAFIMND-UHFFFAOYSA-N 419.489 1.271 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705564501 BFSSHAZIOORSJQ-MRXNPFEDSA-N 417.535 1.595 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1705574656 JRDDBFJCWRTZPM-DXIQSLLYSA-N 416.522 1.443 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cnccc1OC 1705585086 KBGZWRPDRPNHEF-UHFFFAOYSA-N 420.498 1.794 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705594935 XWGCXUMXCFMYMM-KRWDZBQOSA-N 412.519 1.085 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccs1 1705600630 GTTONEODEPIFHB-UHFFFAOYSA-N 424.530 1.355 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cccs1 1705604005 CPZCIUUARFJKQA-CXAGYDPISA-N 411.553 1.317 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705629087 WUMMOZQFZJMJIX-OTWHNJEPSA-N 419.570 1.756 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(C)CN(C)C1=O 1705630814 HVIDCLMVNUUWAP-JOCHJYFZSA-N 411.506 1.730 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC=CCO2)CC1 1705631835 AVWBLTBNYHZRPK-QGZVFWFLSA-N 407.478 1.026 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705635484 ZVABNSCXKYDCHN-FHWLQOOXSA-N 405.543 1.430 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NC(C)C)CC1 1705642417 SWWFXHOSWCTJEY-UHFFFAOYSA-N 424.549 1.754 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1705852789 FDTHVJSUCAMYOE-AWEZNQCLSA-N 403.512 1.171 30 10 HDEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCOCCS(C)(=O)=O 1707867094 GUHVZAQGUDFSPX-UHFFFAOYSA-N 403.508 1.688 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1 1711204061 XQJVSHOZAKRQDT-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C1CC1 1712455376 VLUAPDQBKKKIFU-HXUWFJFHSA-N 416.482 1.533 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(C)(C)N1CCOCC1 1712625157 SBCQPRBVVADCRI-BZSNNMDCSA-N 420.558 1.709 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCc2cnccn2)n1Cc1ccc(C#N)o1 1712634182 GIDZTROVDAZGJJ-KXBFYZLASA-N 423.477 1.984 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722320045 RSJWFWBEOGFVNR-OALUTQOASA-N 414.554 1.328 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)Oc2ccccc2)CC1 1722442395 ZKGXJMQOMKDVQV-IBGZPJMESA-N 422.533 1.623 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1722517961 QQBOOOFXLZPZOM-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC2(C1)OCCO2 1722679862 OIUMDCOQNIIASK-JKSUJKDBSA-N 405.499 1.411 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)C1 1722718537 LCFXOMURZDCYCM-FCEWJHQRSA-N 410.540 1.531 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1723643613 JGGIBXJVIATDFS-IRXDYDNUSA-N 407.478 1.056 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1O 1731136929 YEAQUXPNGKSNRM-JLSDUUJJSA-N 408.506 1.939 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1740574468 FXQAXHWHGMUMIS-KRWDZBQOSA-N 403.527 1.707 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740628821 UUPKAQSCMQAVRL-IXDOHACOSA-N 406.508 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC)cc1 1740642024 QQECXPHOQOHKSF-UHFFFAOYSA-N 418.501 1.271 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1 1740646685 IEZINHDXIXQQEU-QFIPXVFZSA-N 409.490 1.845 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1740675564 DSQFPPQQZXZAJM-WMZOPIPTSA-N 415.494 1.922 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740793161 GNIMGZCYDRKXKJ-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740857473 NWKCDPJSTRSAOI-NRFANRHFSA-N 409.494 1.998 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740888195 QUONIJOECMGRNR-KZNAEPCWSA-N 424.567 1.636 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1740995277 GSPQAMWTKPDDJL-UHFFFAOYSA-N 408.572 1.688 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1741003600 YBZCSBUDRNSRGV-ARFHVFGLSA-N 414.597 1.961 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1741004987 RBHUETGRJNIIQM-KXBFYZLASA-N 422.555 1.063 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1741284281 CIIXORDSXCOSBU-NRFANRHFSA-N 415.542 1.806 30 10 HDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1741690028 BUCGTTNBQWTBBK-MRXNPFEDSA-N 412.494 1.869 30 10 HDEE Cc1nccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1742629851 QSMAPVNYAMNJGX-DNVCBOLYSA-N 400.462 1.657 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1748808653 FMRPLARUNGPBET-MOPGFXCFSA-N 414.531 1.997 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812143 QTTQHZNCLBDPMG-SJORKVTESA-N 418.567 1.630 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1748864249 UHHGMRIQXCRIHH-QGZVFWFLSA-N 415.519 1.430 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1-n1cccn1 1748892935 YCMBPGHKROXQCZ-IBGZPJMESA-N 401.474 1.874 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1748912523 GGOOCQNAOGFHAF-QFIPXVFZSA-N 419.570 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCSC2)CC1 1749013997 BHRHUGZHOSHFNU-DOTOQJQBSA-N 403.552 1.501 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(N)=O)CC1 1749043622 ILJOBESETQCCHN-UHFFFAOYSA-N 423.546 1.585 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1749067158 QBSBLUDYUPETQT-OXJNMPFZSA-N 401.511 1.446 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H](C)C#N 1749463923 YCWJTLCQBFJNTQ-KEYYUXOJSA-N 404.471 1.781 30 10 HDEE C=CCN(c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1749516300 XQLHSUQHRNBIGI-UHFFFAOYSA-N 403.508 1.435 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2ccnc21 1749589828 IYIJFEIRMOTGAS-MRXNPFEDSA-N 401.515 1.829 30 10 HDEE COCCN(CC(C)C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1749806828 UDRNONNZUUDQEZ-HNNXBMFYSA-N 421.523 1.802 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CCC3)n1CC(=O)NCC(F)F)C2 1750381964 MINUTODHMIRJIY-UHFFFAOYSA-N 417.420 1.462 30 10 HDEE CC(C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1750636463 VVYSTTYEGWHBDA-NRASPWIFSA-N 414.510 1.933 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(Cl)nc1 1751208387 WPYCXDVRUPCXJF-RYUDHWBXSA-N 411.919 1.723 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760153106 HTFWBQPQUDSTTF-SFHVURJKSA-N 424.480 1.631 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1760257322 UCRQMDJXSWTRQT-RTWAWAEBSA-N 405.543 1.092 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C)n(C)c2=O)CC1 1760259808 QGOWTBWUNXUQMP-IBGZPJMESA-N 410.522 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCCCO)CC1 1760268542 LLOURUQRFXBAAY-UHFFFAOYSA-N 413.526 1.197 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760450928 VZMNTGWRHPPOKT-BBWFWOEESA-N 405.499 1.700 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@](C)=O)CC1 1760464459 HZFMNAYKKWSEEF-LJAQVGFWSA-N 415.567 1.985 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1760510471 ZRWRSDONAPHETM-KGLIPLIRSA-N 422.511 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(C)(C)C)C1 1760547183 GGCIHEPEFSRIHD-INIZCTEOSA-N 423.583 1.987 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760554738 LHQHHBGPPBLHIR-MRXNPFEDSA-N 411.572 1.572 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN(C)CCOC 1763112181 DPLSIXPPLBWLMY-UHFFFAOYSA-N 412.542 1.402 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2cccnc2)n1CCCn1cnnn1 1767090448 ALURVLMGDIVLKQ-UHFFFAOYSA-N 414.477 1.849 30 10 HDEE CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1767158222 CPYPJYPIRZNINW-HXUWFJFHSA-N 424.553 1.020 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(CC4CC4)CC3)n2CCOCCCO)c1 1770735828 OYYMNFABXLBLLL-UHFFFAOYSA-N 410.522 1.748 30 10 HDEE COc1cc2nc(N(C)CC(=O)NCC#CCN3CCCC3)sc2cc1OC 1850092494 VYRAMNQXYIJEJZ-UHFFFAOYSA-N 402.520 1.965 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CCn3nnc4ccccc43)CC2)nc1 1851772353 OMKONEBNEXYZRG-UHFFFAOYSA-N 405.462 1.453 30 10 HDEE Cc1ccc(OCC(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1 1852187093 WDGCZOMRUPBNCV-IBGZPJMESA-N 412.446 1.359 30 10 HDEE COc1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc(Cl)n1 1852228050 AJMALMREQYAWJF-UHFFFAOYSA-N 401.854 1.989 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4c(c3)c(C#N)cn4C)CC2)cc1 1852676474 HLHQKPXNMILEHH-UHFFFAOYSA-N 423.498 1.900 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)OCC2CCN(c3ccc(C#N)cc3)CC2)C1 1852703673 MTDCKXZVFPHAHQ-SFHVURJKSA-N 405.520 1.989 30 10 HDEE Cc1c(CN(C(=O)c2cccc(C#N)c2)[C@H]2CCc3nn(C)c(=O)cc3C2)cnn1C 1853539903 OUIJBNMKONOGSX-FQEVSTJZSA-N 416.485 1.894 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cccnc4)C(=O)C3)C2)c(F)c1 1854163644 BFYLSWDUUOXXKI-IBGZPJMESA-N 407.449 1.651 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(Br)cc3)C(=O)C2)C1 1855019875 YXMZIPBUJUGPLY-INIZCTEOSA-N 405.296 1.721 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855029196 NWNMGCAEKRQCCK-NSHDSACASA-N 420.397 1.293 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(CC(=O)N4CCCC4)CC3)CC2=O)c1 1855119554 WAOBRZWLIFOVQG-FQEVSTJZSA-N 408.502 1.881 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(C3CC3)n(C)n2)CCN1CC(=O)c1ccc(C#N)cc1 1855143064 PKOAOXCBQATLBN-AWEZNQCLSA-N 405.458 1.725 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc3n(n2)CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855165980 CCIRYYXSXLOVPF-HNNXBMFYSA-N 405.458 1.647 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2ccnc2C2CC2)CCN1CCOc1ccc(C#N)cc1 1855897024 DWLLPLNBVLDRSD-INIZCTEOSA-N 407.474 1.770 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1856155896 PKNVASRYRPSTDE-INIZCTEOSA-N 421.494 1.600 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCC[C@H](N2CCC(CC#N)CC2)C1=O 1856521784 SXIOSHVFJUQIRX-SFHVURJKSA-N 407.478 1.634 30 10 HDEE N#CCCN1CCN(C(=O)CCn2nnc3ccccc3c2=O)C(=O)C12CCCC2 1856637358 KAQBQDZSIYLKJD-UHFFFAOYSA-N 408.462 1.079 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2csc3c2CCOC3)C1=O)[C@@H]1CCN(C)C1=O 1856749587 GXNFYWFRTPFNRB-DLBZAZTESA-N 417.531 1.671 30 10 HDEE CCn1ccnc1CN1CC[C@@H](N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)C1 1856846582 ARYWOPAPMJNDDF-LJQANCHMSA-N 406.490 1.334 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nccc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857298388 APVGKXCDOUJDRX-YJBOKZPZSA-N 407.474 1.337 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)COC1(C)C 1857305035 BARURBRJCBGGIA-HZPDHXFCSA-N 420.510 1.721 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)C3CCN(C(=O)C(F)(F)F)CC3)C2)c1 1858310249 UDRIRBZOPGQEFM-INIZCTEOSA-N 422.407 1.690 30 10 HDEE COC(=O)Cc1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873920716 WSQHVFRDQIYLGG-UHFFFAOYSA-N 414.487 1.585 30 10 HDEE C=CCN(CCC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885928721 OOPOLCSSLVIPEE-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC(COc4cccnc4C#N)C3)CC2=O)c1 1891231411 QEIYQZZPGNCCJC-MRXNPFEDSA-N 406.442 1.852 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)NCC#CCN(C)Cc2ccccc2)c1 1891724188 HURWFQOPBNGKHV-UHFFFAOYSA-N 416.499 1.896 30 10 HDEE CC(C)(C)OC(=O)N1CC(OC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)C1 1892030198 MHYIVKRXHZFFPJ-CYBMUJFWSA-N 403.439 1.947 30 10 HDEE C#CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074683473 KYLPITKUDKYJGI-OANHIGOFSA-N 408.476 1.031 30 10 HDEE C#CCCN1CCC[C@H](COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)C1 2086865135 OOQCFSYTTCJADW-HNAYVOBHSA-N 423.469 1.202 30 10 HDEE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CC[C@@H](C#N)C1 2118165954 GNJHUGUHTSWSEF-WDEREUQCSA-N 400.423 1.464 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C)C[C@H]2C#N)C1 2124737713 WEEZNRUKJQLRLL-LQWHRVPQSA-N 400.479 1.469 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2140653806 ILOPSQUGXUMWFQ-UONOGXRCSA-N 404.558 1.407 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2cc(F)cc(C#N)c2)s[nH]1 2187516076 UDOILKXKZMPDKQ-UHFFFAOYSA-N 413.456 1.796 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217442720 YNVYIVUYPGUUBD-HZPDHXFCSA-N 419.331 1.845 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N(CCS(C)(=O)=O)C2CC2)OC1(C)C 2281803892 DJLBNPFSWLLFTF-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC2(C1)OCCO2 2282022486 UGVNDMTZZYJVOC-CQSZACIVSA-N 405.304 1.618 30 10 HDEE CC[S@](C)(=O)=NCCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282132053 YJMAADZMPIMOMF-SANMLTNESA-N 401.363 1.598 30 10 HDEE CC(C)OC(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282306783 RYIUDPWZNKFDQE-UHFFFAOYSA-N 423.749 1.931 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337024 ISNUEAKDTUQGQW-QGZVFWFLSA-N 401.359 1.900 30 10 HDEE CC1(C)C[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340153 BWCXHORBRLWGQY-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N1C 2282342470 HWXZRIZCKWKJEP-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2282488816 CCOQOHMOXZUMBP-GZMMTYOYSA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCC[C@H]2N)OC1(C)C 2282489907 GLRUHGXZGWJMBI-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CN(CC1=CCSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494414 ZCWJBWDJFVYVPJ-UHFFFAOYSA-N 416.399 1.877 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@@H](O)CC2)OC1(C)C 2282507182 CVDVJAPBMXSUJY-TXEJJXNPSA-N 402.347 1.165 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282666902 LEXGWXAHZPTSDF-GFCCVEGCSA-N 401.359 1.990 30 10 HDEE C[C@H]1[C@@H](N)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833262 WGUJPHIRQAAKRT-RYUDHWBXSA-N 401.363 1.084 30 10 HDEE C[C@H](O)[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883220 XMDGGANRUOYDQE-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC([C@H](F)C(=O)O)C3)s2)OC1(C)C 2284396168 UFSXCPXTBYYCNX-LBPRGKRZSA-N 405.278 1.091 30 10 HDEE CSc1nc(C2CC2)nc(=NC=C2C(=O)c3ccccc3N(C)S2(=O)=O)[nH]1 2297564983 PIGKLTCNVCQCDG-UHFFFAOYSA-N 403.489 1.809 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2302852676 PLZSGMYAIOYGJL-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE CCN(CC)c1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cc1 2330773084 RGFNBQTZILOIIV-UHFFFAOYSA-N 418.523 1.908 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365208484 SGSLCKYBXUSUDA-FZKCQIBNSA-N 400.541 1.555 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](O)C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1CCCO1 2367789797 FJYFVJCFXSHZLP-HOTGVXAUSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1CCCO1 2367805199 ZGQRXUDOLZCRIZ-HOTGVXAUSA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)c1cnn(C)c1I 2367834664 UCBGKHRXTZINOJ-LLVKDONJSA-N 407.277 1.256 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(O)CCCSC3)c2)OC1(C)C 2369680183 BGMVJTNVFOPADV-MRXNPFEDSA-N 419.399 1.584 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N2CCCC[C@H]2C)n[nH]1 59888398 WQQXJLMJYQJDHF-AINDZBIGSA-N 420.543 1.549 30 10 HDEE C=CCN(CC(=O)Nc1cccc(S(N)(=O)=O)c1)Cc1cccc([N+](=O)[O-])c1 63297646 FXMDAJZFQWKMMC-UHFFFAOYSA-N 404.448 1.869 30 10 HDEE COc1ccc2nc(S(=O)(=O)OCc3ncc(C(=O)O)c(OC)c3C)[nH]c2c1 95935004 BBDBTYXBMLADPL-UHFFFAOYSA-N 407.404 1.887 30 10 HDEE C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96029766 ZRRIKPHYSLCQEM-UWNWNTKNSA-N 411.587 1.750 30 10 HDEE in-vitro C=CCNC(=S)N1c2ccc(S(N)(=O)=O)cc2NC(=O)[C@H]1c1ccccc1 170548884 MPALKVPZXNIHOI-MRXNPFEDSA-N 402.501 1.894 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)N[C@H]1CC[C@H](Oc2nccnc2C#N)CC1 238954668 XRSFDPNJPCTRFR-HAQNSBGRSA-N 422.488 1.865 30 10 HDEE COc1ccc(-n2cc(CNC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)nn2)cc1 446525682 ZRFDSQUPMASWHK-UHFFFAOYSA-N 414.429 1.845 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CCOC)C(=O)C1 460546082 JXOZMHIYTAOUHW-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NS(=O)(=O)c1ccccc1S(C)(=O)=O 460785730 YMGGEQLSVMADRJ-UHFFFAOYSA-N 417.472 1.652 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc(C)cc3)n(C)c2=O)c1 462438164 BNVWKMJMYVDVAG-UHFFFAOYSA-N 405.479 1.853 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCCc1nnc2ccccn12 465282201 ISQXBCXILWVXFK-OAHLLOKOSA-N 405.466 1.244 30 10 HDEE Cn1cc(CNCCN2CCN(C(=O)C3CCC3)CC2)c(-c2ccc(C#N)cc2)n1 478199476 RFWWWKLPMIHEJG-UHFFFAOYSA-N 406.534 1.993 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 478744722 IUJBANCQKQGKHO-INIZCTEOSA-N 411.527 1.992 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)nn1 480736233 GSIDOMBJBCPNRZ-CQSZACIVSA-N 407.427 1.242 30 10 HDEE C=CCCC[C@@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 487815951 IOKRKQVGXTXKIN-OAHLLOKOSA-N 405.520 1.451 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)nn1-c1cccc(C#N)c1 505746799 ARUCHRFONBNBHY-GOSISDBHSA-N 407.474 1.763 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)S(=O)(=O)CC2(C#N)CCCC2)CC1 510585989 YAEYRAKFSVTWGV-UHFFFAOYSA-N 413.512 1.391 30 10 HDEE CC1(C)C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc21 531854875 LYNCGQYYZNMXAL-UHFFFAOYSA-N 411.487 1.694 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C1CC1 532820333 QDOCMOOYIMEZFR-OXQOHEQNSA-N 412.490 1.121 30 10 HDEE COC[C@@](C)(C#N)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 536073637 ULWFFUYGYCQXFS-IAQYHMDHSA-N 403.298 1.904 30 10 HDEE CCOc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N(CC)CC 539506199 YWBTVIDYBGFPIF-CYBMUJFWSA-N 420.495 1.779 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)cc1 543964560 ZSXTVBCBBSALEW-QGZVFWFLSA-N 410.478 1.649 30 10 HDEE C=CCn1c(Cc2noc(-c3ccc(NC4CC4)nc3)n2)nnc1N1CCOCC1 546354269 AGCQISHJVUGBTQ-UHFFFAOYSA-N 408.466 1.911 30 10 HDEE C[C@@H](NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)C1(S(C)(=O)=O)CC1 553954727 ZRSKXLCTFTWARR-CQSZACIVSA-N 418.519 1.884 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)CC1 561598932 KFMJNJPULTUAQD-MRXNPFEDSA-N 404.511 1.264 30 10 HDEE Cc1c(CN(C)C(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)cnn1C 574516352 OZKAHSUYVJYDHO-UHFFFAOYSA-N 422.489 1.909 30 10 HDEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 592070440 ONRLFZTVFSXNGB-UHFFFAOYSA-N 407.536 1.396 30 10 HDEE N#Cc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(F)c1 609229947 FUQYOMHKWIBUBT-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE CCOc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c(C(N)=O)c1 737657984 SQLQPSDGHFMWPG-UHFFFAOYSA-N 401.444 1.609 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnnn2C2CC2)C1=O 742213973 RZLHFOIRBRSBQU-CQSZACIVSA-N 410.463 1.147 30 10 HDEE C[C@H](C(=O)OCc1cc(Cl)ccc1OCC#N)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745443262 MWAZCAPUGLFXJR-RGVDIWCNSA-N 418.833 1.836 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1 753747275 ZNYYZFBNVHITKX-VOTSOKGWSA-N 407.492 1.409 30 10 HDEE Cc1nccc(N2CCN(CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)CC2)n1 758982026 YFGBIXUUILTBJE-OAQYLSRUSA-N 405.462 1.203 30 10 HDEE CC(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 765525675 CQESBCFYJWOIJA-INIZCTEOSA-N 421.519 1.617 30 10 HDEE C#CCN(C(=O)NC[C@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 774262416 HMTOQFHCPFFJRC-GOEBONIOSA-N 402.476 1.672 30 10 HDEE C#CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@H]1CCS(=O)(=O)C1 780444309 SQALSSRJPJBWGT-AWEZNQCLSA-N 408.277 1.655 30 10 HDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780892364 FXYLGABEYBULKE-QRWLVFNGSA-N 410.449 1.902 30 10 HDEE C#CCN(C(=O)c1cccc(NS(=O)(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 782584097 AXIGWOOTFCHHHM-ZDUSSCGKSA-N 424.422 1.211 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C(=O)OC)c2c(F)cccc2Cl)C1=O 785283771 LZOWAPZJFPDWHD-CYBMUJFWSA-N 412.757 1.213 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n[nH]2)C1 787349348 YFKXFMZAHMFFPG-HOCLYGCPSA-N 414.510 1.946 30 10 HDEE C[C@@H](OC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787676408 BRGLDZYETBZRIF-CHWSQXEVSA-N 411.505 1.395 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nc(N)nc(Nc3ccc(F)cc3)n2)n1 789324867 VTPHMZAOJAMWFA-UHFFFAOYSA-N 410.457 1.815 30 10 HDEE C#C[C@H](CCC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 790704922 HCGHLEIXBORLDZ-SJORKVTESA-N 418.567 1.704 30 10 HDEE COC(=O)c1ccc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 793399592 POTPDXXRYZJWML-LBPRGKRZSA-N 417.443 1.429 30 10 HDEE C=CCOCCCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 795359205 BNALHHFKKRECCA-UHFFFAOYSA-N 410.492 1.289 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 796375270 GHNAZQQSBCQOAW-RJCBAWPRSA-N 418.444 1.786 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 800928567 VFRXCBPUJWYXCA-QGZVFWFLSA-N 405.568 1.787 30 10 HDEE CCOC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804162986 YQVQGVWYISGCAO-XJKSGUPXSA-N 404.442 1.687 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 805276251 VLOZSMRVDBHTRB-UHFFFAOYSA-N 402.904 1.173 30 10 HDEE CCOCCOCC(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809124940 VFZKXCGDCSPMRB-UHFFFAOYSA-N 409.233 1.318 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809876718 KSUFYUGBYMFGAC-MRXNPFEDSA-N 401.492 1.311 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812044286 GONPUVNJPRJDTR-KRWDZBQOSA-N 415.519 1.794 30 10 HDEE CC(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 812242130 NBYQCLYQPMVTET-JKSUJKDBSA-N 420.514 1.971 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1C#N 813670069 NWUXFYNKVUCVTD-UHFFFAOYSA-N 404.467 1.840 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CCN2CCCC2)c1)c1cc[nH]n1 1137586406 MEFYCPPVOPNOFP-UHFFFAOYSA-N 413.478 1.971 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1143727069 MDYRWNBULSSUFB-UHFFFAOYSA-N 402.520 1.555 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)c1 1144281384 QDVLAQUXHXEGSX-UHFFFAOYSA-N 422.894 1.846 30 10 HDEE Cc1c(S(N)(=O)=O)sc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1Cl 1157545266 SJTSINFHYWWHPT-UHFFFAOYSA-N 404.897 1.835 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)CCOC1 1167320635 GKDWQBFHCGYVEJ-NRFANRHFSA-N 412.446 1.340 30 10 HDEE C[S@@](=N)(=O)N1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1177172866 QNUYABDWLXOIGK-QHCPKHFHSA-N 401.286 1.435 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)c1 1180999776 FRUHZOBREOFQLD-UHFFFAOYSA-N 411.439 1.504 30 10 HDEE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)c2C)cc1C 1189745653 JVKTUQGBFDCUEV-UHFFFAOYSA-N 420.469 1.781 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1197642537 MINVIKKQAWMSAP-MRXNPFEDSA-N 422.551 1.823 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1214815509 RMSBHSMTTZDAHW-UHFFFAOYSA-N 420.516 1.902 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1233928096 MYWVYZDCIZYDEO-QGZVFWFLSA-N 404.486 1.311 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CO[C@H](C4CC4)C3)CC2)cc1 1234065710 UKWRHYJADFKCMW-AEFFLSMTSA-N 404.492 1.142 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C(=O)NCc3ccc(C#N)c(OC)c3)C2)CCC1 1248505390 INWDTVMMBDIIPW-NRFANRHFSA-N 401.463 1.947 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 1253347195 BGHFYOYPWSVVMH-GOSISDBHSA-N 409.483 1.270 30 10 HDEE C[C@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1264245504 XDMKETQMKMFWEL-OAHLLOKOSA-N 422.507 1.032 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2cn3cc(F)ccc3n2)c1 1264809518 JMBWOJSTOITCII-UHFFFAOYSA-N 420.444 1.889 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CNC(C)=O)cc2)ccc1F 1278855316 LTJFVVXAVPRFKN-UHFFFAOYSA-N 419.478 1.856 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286270737 NEDZOLLXODXIIK-GUNSETOZSA-N 413.547 1.899 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1286376189 HGVQKZXOCYBEOA-NQIIRXRSSA-N 424.549 1.886 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286376722 IZLCYGZSAXIFNM-MRXNPFEDSA-N 408.428 1.596 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1286406927 ADOMQFFVUMDWTJ-GOSISDBHSA-N 404.474 1.040 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1 1286407073 BQIWTBJSPNHKGO-IBGZPJMESA-N 407.474 1.527 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1CCS(=O)(=O)CC1 1286458672 AYEKTLSSQBHVKZ-UHFFFAOYSA-N 405.524 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1286462700 RVJUKTDNBHXLTK-UHFFFAOYSA-N 408.418 1.605 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCSC2)CC1 1286473200 YQPQHYSNVRAISN-ZWKOTPCHSA-N 407.584 1.901 30 10 HDEE C#CCSCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1286512002 HAYDYRIGAJOSPK-ZWOKBUDYSA-N 424.567 1.537 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@H]1C 1286602058 SOKAQCKTYBAHDY-OAHLLOKOSA-N 406.531 1.456 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1COCCO1 1286766741 XAYVLHMCCGAUPF-QGZVFWFLSA-N 403.439 1.908 30 10 HDEE C=CCn1c(N2CCN(c3nc(CC)ns3)CC2)nnc1[C@]1(OCC)CCOC1 1286777592 HRBLSPCFSZGENQ-IBGZPJMESA-N 419.555 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCOC2)C1 1286799261 UNXPNHZYHSRVBK-OXQOHEQNSA-N 407.515 1.129 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(O)cc2)C1 1286801589 ZYGATDXIAJAWAY-WMLDXEAASA-N 421.523 1.424 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(F)c(F)c1 1286959516 HBBFLMKSWAFVOZ-RYUDHWBXSA-N 412.466 1.811 30 10 HDEE COC(=O)c1cnc(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 1289445707 JRJGLYHTPOCDKU-UHFFFAOYSA-N 421.500 1.980 30 10 HDEE C[C@@H]1CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291133309 NPCXKQPWENFFBS-YKHTYXQRSA-N 400.483 1.687 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1293228879 PNBLOLPTWATNNI-OALUTQOASA-N 424.505 1.727 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1293245168 BQVWTBKMUVMEAZ-IBGZPJMESA-N 404.486 1.171 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 1297335262 NQRIJYYCEBXQHX-PYUISTEWSA-N 412.483 1.307 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1300329893 STWFFMQANZIQLM-CMBDLQSPSA-N 419.526 1.658 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CC[C@]3(CCOC3)O2)c1 1300330532 CDZASWYPTMCEOR-DENIHFKCSA-N 409.490 1.981 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCn2cc(C)cn2)CC1 1300703157 AQIAGINOODDFGY-UHFFFAOYSA-N 407.497 1.968 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)COCC 1300780226 MWFNYKPNTXZRON-HNAYVOBHSA-N 411.572 1.943 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1300801298 MFKAPUGOGUPYLJ-WZONZLPQSA-N 420.517 1.928 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300919104 VICNIGVGIBEQOL-QGZVFWFLSA-N 418.567 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCCCCC1 1301496721 FXHXCFGILIOBDW-UHFFFAOYSA-N 421.505 1.875 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1301514728 MINYGPHBFZJRFX-GOSISDBHSA-N 410.478 1.646 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)C1 1301558468 VWXRGEHEUHIMHD-ZWKOTPCHSA-N 417.535 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1301586443 SYCNLJKACBOQJT-OXJNMPFZSA-N 424.567 1.921 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1305581986 OIMQBZMRKNKZIG-UFOSLELVSA-N 410.482 1.744 30 10 HDEE Cc1[nH]nc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1-c1ccc2c(c1)OCO2 1306117905 NRWSWUCVFKBILX-ZZEZOPTASA-N 409.402 1.969 30 10 HDEE C=CCC1(O)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1 1307213596 JGPZRKADFHLMJF-UHFFFAOYSA-N 411.480 1.523 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@H]1CCO 1308094899 SUSSPENNKKNRNG-HUUCEWRRSA-N 411.549 1.501 30 10 HDEE C=CCOC[C@H](N[C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1308721593 DJFSSBQJKZJEHZ-NEWSRXKRSA-N 406.479 1.746 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(c3ccnn3C)CC2)c1 1309815680 SHQQBHCBOSYVJS-UHFFFAOYSA-N 404.492 1.008 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)CC1 1310013942 RHWNMXAGTYPFDQ-UHFFFAOYSA-N 421.523 1.288 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1310580244 JNHXWYBWYOARIM-WBVHZDCISA-N 409.508 1.785 30 10 HDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1314692076 IHLZKWDGLKYTAF-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1314875481 OZTINVYPQSUFRQ-UHFFFAOYSA-N 420.520 1.429 30 10 HDEE COCCCN(C(=O)c1sccc1CC#N)c1c(O)nc(=O)n(CC(C)C)c1N 1351303840 AEDMHBZCSQFDHR-UHFFFAOYSA-N 419.507 1.998 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2cccc(C#N)c2)C1 1354180388 BVGBXZAGGLMETO-OXQOHEQNSA-N 419.503 1.456 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1358917508 SNZAYXPBQFZFPD-FVJLSDCUSA-N 401.511 1.449 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1358983862 YUZTXQDZGNOIFC-IYBDPMFKSA-N 424.509 1.298 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1359001527 WWZMQFWDDMDPKX-QFIPXVFZSA-N 419.570 1.625 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC[C@H](OC)C(F)(F)F)CC1 1359039229 AGWVAUGXYYMVCP-CABCVRRESA-N 401.433 1.852 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1359287745 STWWYNBVIZSICH-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CC2)N(C)C)C1 1359310743 FMFIKSDBCQHRPC-ZWKOTPCHSA-N 402.543 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1359328686 LMKXLCMPOMVHKV-AWEZNQCLSA-N 416.507 1.118 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1359343058 LEOPQUDDCIJWQJ-MRXNPFEDSA-N 409.556 1.386 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OCC 1438907724 KRCYWPBTRJEOQS-KRWDZBQOSA-N 401.463 1.340 30 10 HDEE COCCN(CC#N)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1450856119 YXFMQBRRTSLIOD-GFCCVEGCSA-N 403.298 1.857 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)n1 1460048760 RQNSHKRSRXZRRJ-WIYYLYMNSA-N 406.527 1.725 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CCOC1 1460458907 CYYHXCFPEYCJPA-PGRDOPGGSA-N 414.506 1.271 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)c1 1464272291 XTLLARYYLDPORW-GOSISDBHSA-N 415.446 1.826 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@]3(CCCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1465581320 BIOPSGRKWZZIIW-QFIPXVFZSA-N 407.474 1.335 30 10 HDEE C=CCOC[C@@H](NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1467515116 FEOGJLGRDNMYGM-HUUCEWRRSA-N 400.472 1.263 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)Cn1cc(C#N)c(I)n1)C(=O)OC 1473050032 DXEGIOWAZWJDQO-LDYMZIIASA-N 404.208 1.063 30 10 HDEE C#CCNC(=O)CN1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 1473502685 UVATXQOBXYVGKV-QGZVFWFLSA-N 419.323 1.069 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CC1)C[C@@H](O)CNC2=O 1473851308 CTCUUXTWFWZZDO-MAUKXSAKSA-N 402.470 1.424 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1476011286 OZQKRQXAPUHVAC-NLFAIWHDSA-N 406.508 1.785 30 10 HDEE C#CCN(C(=O)NC[C@@H](SCC(=O)OCC)C(F)(F)F)C1CCN(C)CC1 1479167378 UJZWUPRGEBFSQL-CQSZACIVSA-N 409.474 1.953 30 10 HDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1492711829 HXKHDDKVZWADQZ-UHFFFAOYSA-N 420.477 1.212 30 10 HDEE CNC(=O)C(C)(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1503702934 XAIZQWZAMHZADE-SFHVURJKSA-N 405.503 1.848 30 10 HDEE COCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1504823288 DZQRGXPVCQBXHI-OAHLLOKOSA-N 420.539 1.970 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCOC2)CC1 1507593280 YJPKJYIRNCYOBO-ROUUACIJSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCc1n[nH]c(C)n1 1507604753 GTSWCFTZXIMFNB-UHFFFAOYSA-N 412.885 1.600 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)C(=O)NCC2 1507605049 LCDPLLPJVDYTGS-UHFFFAOYSA-N 408.506 1.600 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(C)n(C)c1=O)[C@@H]1CCS(=O)(=O)C1 1507623064 OMKSPTOUHHLKLO-QGZVFWFLSA-N 417.535 1.084 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1(OCCOC)CCOCC1 1507668970 FWVHPMRJWNXNMT-IBGZPJMESA-N 416.522 1.457 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1507739122 MZIWEIGNBXMZAV-DYESRHJHSA-N 403.527 1.155 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1507855576 YRECEXIZFDGHNG-UHFFFAOYSA-N 401.858 1.489 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)CC1 1507903049 QQWBEKCXAQFXJF-CYBMUJFWSA-N 423.461 1.576 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1507980217 FRRCIPVDJVRKFP-RBSFLKMASA-N 401.508 1.371 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(OC)cc1OC 1508057642 IJHLSOJWRKHQPL-INIZCTEOSA-N 401.467 1.431 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(Cl)nc2C1 1508087051 NDIRGPJVEACSGO-ZDUSSCGKSA-N 415.885 1.143 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1508422130 WRNXJRXSRZQZDH-SZNDQCEHSA-N 423.477 1.995 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)cn1 1518270425 GPAUJEMHRKGLMC-SFHVURJKSA-N 417.473 1.970 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1Cc1nncn1C 1519437255 TYXWZAGYHIEHGP-QOKNQOGYSA-N 400.487 1.309 30 10 HDEE C[C@]1(c2cccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2)COC(=O)N1 1533802549 GARMXUAIEGUHSQ-LJQANCHMSA-N 414.443 1.319 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1535414497 LBXITNLERPWUJP-GJZGRUSLSA-N 423.491 1.013 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1539067144 KMCUERYMKLCTBJ-SJORKVTESA-N 407.492 1.102 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C1CC1 1539250449 NSUZYBRYPKWYIW-QGZVFWFLSA-N 415.505 1.476 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCCC)CC1 1539459575 KQMUDJMVXOUNQO-UHFFFAOYSA-N 421.505 1.010 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1539556917 JZUUNVJPGOFURR-QFBILLFUSA-N 419.507 1.244 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1539999407 GVPQJABROAFYKQ-CQSZACIVSA-N 419.555 1.905 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1540125825 AHTANDCZBWNJCH-GOSISDBHSA-N 408.506 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCc1ccccc1OC 1540868429 FHJCDXUXSZSJOR-UHFFFAOYSA-N 407.478 1.725 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)c2cccc(C#N)c2Br)CC1 1542885878 MSIREJLJNBTTEY-UHFFFAOYSA-N 407.312 1.993 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCCCC1=O 1543308504 DBMVEAZDRXVOJQ-UHFFFAOYSA-N 422.537 1.973 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cc(Br)nc(Br)c2)n1 1544158687 QQXMDHYWUTZSSK-UHFFFAOYSA-N 400.034 1.500 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccncc1)C(=O)OCC 1545242684 YIGHGCIHEDOGMY-SJORKVTESA-N 403.479 1.979 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1546532920 GPYDXZABZUPWJZ-OALUTQOASA-N 401.559 1.254 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(O)CCC1 1548174648 GNRNTRRMQDNTDR-HNNXBMFYSA-N 412.498 1.106 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CC1 1555640521 TVBWBUKTFFSUFT-ZDUSSCGKSA-N 414.466 1.062 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)CC1 1555792169 GZYVUACRKFJZPT-UHFFFAOYSA-N 400.508 1.581 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1555991047 VQDLADNIOROQAX-DLBZAZTESA-N 407.540 1.737 30 10 HDEE C#C[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C)C1CCOCC1 1557576712 BLRJHNKBTGNGIB-DZQJYWQESA-N 412.408 1.517 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]4OCCNC(=O)[C@@H]43)CC2=O)cc1Cl 1558059684 IWCSEIRSUSNAFF-MZMPZRCHSA-N 416.865 1.071 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C(=O)CCCC3=O)ccc2c1=O 1558939409 WIHDHFDJWQIYTC-UHFFFAOYSA-N 400.460 1.140 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 1559010791 MPHQWKSJHWJIJD-IBGZPJMESA-N 415.471 1.059 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CSCCNC(=O)OC(C)(C)C)CC2)o1 1559472834 ZLDUEFRUJHUDHR-UHFFFAOYSA-N 409.512 1.761 30 10 HDEE N#CC1(C[C@@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)CCOCC1 1559592885 UTYLLNDCPKMNFA-HXUWFJFHSA-N 403.498 1.974 30 10 HDEE CC(C)CN(C(=O)CN1CC[C@](C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 1560017840 VZUNFYVGDBPKLR-HXUWFJFHSA-N 404.515 1.412 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1562135308 IIFUDIYPGUZLKC-IBGZPJMESA-N 406.486 1.694 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)nn1 1562772125 POVSHYFVVLXHNO-UHFFFAOYSA-N 409.468 1.215 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cn1ccnc1)c1ccccc1 1583337396 AMXLDWODDJFAMX-KRWDZBQOSA-N 409.471 1.479 30 10 HDEE CN1C(=O)COc2ccc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 1584786648 BVFOHLCQABHMDQ-QGZVFWFLSA-N 404.426 1.839 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCO[C@@H](C#N)C3)cnn2c1 1584955996 GBAUWDKIJUQEJH-AWEZNQCLSA-N 400.439 1.161 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1588054134 KVEDFFLXAJERHM-QZTJIDSGSA-N 424.567 1.699 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588065427 YIBVITBDLXOVFY-MJGOQNOKSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)CC1CC1 1588228434 GGNOXOXGBZPRBG-GOSISDBHSA-N 404.536 1.807 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(CNC(C)=O)CC1 1589060814 ZBUVWNKCIYVHII-SFHVURJKSA-N 405.568 1.891 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1593770108 WIGFYLZFTOBGLH-JXFKEZNVSA-N 407.515 1.225 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1595719790 IYPSMNKJYIRGNO-KSSFIOAISA-N 402.476 1.447 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@H]1C 1595900859 LMHPPRGXLXVBNS-MRXNPFEDSA-N 403.556 1.726 30 10 HDEE C=CCN(C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1597171207 UNNVNHRKYNYKTA-KXBFYZLASA-N 416.540 1.340 30 10 HDEE C=CC1(CC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1597895025 QDTCSZSNZDAUCD-UHFFFAOYSA-N 415.556 1.682 30 10 HDEE CC(C)n1cc(Br)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1607497087 BANLUYMSOSZREO-UHFFFAOYSA-N 407.228 1.058 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)CCOC1 1610336973 PJCCXADKOBAUPT-DBXWQHBBSA-N 420.558 1.778 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C1CC1 1613588187 ALTXZLDBWGULAI-CQSZACIVSA-N 423.525 1.908 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1614974655 HIWNYQICEBTZFL-NRFANRHFSA-N 423.477 1.374 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1615843089 KAWCZVGKOVCWQV-IPMKNSEASA-N 403.575 1.936 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1618788559 LXNBLZUDDYJIDK-QFIPXVFZSA-N 423.521 1.254 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCCC1 1619980073 BSRJKTDPUCRRSL-OAHLLOKOSA-N 404.515 1.788 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cc(Cl)cn1 1620025822 SRQKATLFMVJGEE-DZGCQCFKSA-N 409.878 1.281 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccnc2)CCO1 1620354332 BUJFTJPAWXXZHM-INIZCTEOSA-N 404.434 1.292 30 10 HDEE Cn1cc(C[C@H](CO)CNS(=O)(=O)c2cccc(Br)c2C#N)cn1 1622299741 CFCSSPDUBBGMFE-LBPRGKRZSA-N 413.297 1.184 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1624889413 GYUDFOATYPSVRE-UHFFFAOYSA-N 403.479 1.808 30 10 HDEE CN1CCCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1=O 1624892159 CERADHKFUMKCPK-HGSNWSKYSA-N 406.508 1.696 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 1627483169 AKKVXGZLKIBWIJ-UHFFFAOYSA-N 401.448 1.400 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1627809315 QLHPYNMXIUGULW-ZDUSSCGKSA-N 423.408 1.406 30 10 HDEE O=C(CSc1nccn1Cc1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 1628386088 NIKVKDQGOOBPFX-VHEBQXMUSA-N 411.487 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 1628547417 CAPHFVTTZQLFGL-SJORKVTESA-N 414.462 1.889 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(C)(C)S(C)(=O)=O)C2)C1 1628966499 QCJYXWPZANIDGO-BIWSTMPVSA-N 413.540 1.713 30 10 HDEE C#C[C@H]1COCCN1C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1629637217 OSACBYCKOPQVJW-HNNXBMFYSA-N 411.499 1.609 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(CCC#N)Cc2cccnc2)cc1 1631265484 DFZWXCHWINEYDC-OAHLLOKOSA-N 402.476 1.297 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1632032227 SZKRIVISJBMOIG-AZUAARDMSA-N 421.563 1.983 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1633118352 KANZCVPZIDQACG-INIZCTEOSA-N 417.315 1.064 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nn[nH]n4)C3)C2)C1 1633585795 VSJKPWDNRJLUAP-UTFQJDELSA-N 415.498 1.693 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC[C@H](C#N)C1 1634196667 GCQPRMYXJSRKIO-DNVCBOLYSA-N 421.519 1.913 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1634691119 RUBLEURPYLWNIS-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)C1=O 1639594995 YEDZTLWQSJEYKY-QZTJIDSGSA-N 403.479 1.563 30 10 HDEE N#CCCCn1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c2ccccc21 1640668303 HMDPYISBPHDECJ-HNNXBMFYSA-N 403.508 1.733 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1644262672 HOCLZOFEPLVXTN-SFHVURJKSA-N 424.505 1.534 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)/C(=C\c1cccc(OC)c1)n1nnnc1C 1644596661 LRDQHHOQMUSGJL-QGOAFFKASA-N 411.462 1.792 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC[C@H]1CCOC1=O 1644887658 TWLTWZPLSWQQRS-HNNXBMFYSA-N 421.519 1.745 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCC#C[Si](C)(C)C)C2=O)cc1 1645184649 VBWBVVMJLQXLNS-HXUWFJFHSA-N 401.539 1.849 30 10 HDEE CC(F)(F)CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1645607747 XVPVGOGBRCQJER-INIZCTEOSA-N 419.432 1.563 30 10 HDEE C#CC[C@]1(C(=O)NCC(=O)N(C)OCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1645906879 SQOJKTDLUBPIPF-QGZVFWFLSA-N 421.416 1.848 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F 1648077152 UCOSWUYWBZUCAO-UHFFFAOYSA-N 400.357 1.991 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2CCCS2(=O)=O)CC1 1648416882 BYJOMYOPWONTST-UHFFFAOYSA-N 413.540 1.179 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1CN1CCO[C@H](c2ccc(C#N)cc2)C1 1648463171 MLXKBSPPPHGGCP-FQEVSTJZSA-N 402.520 1.990 30 10 HDEE Cc1nc(=NC(=O)CN2CC[C@H](c3ccccc3)NC2=O)n(-c2ccc(C#N)cc2)[nH]1 1650820973 YXSFTGBTUBQVPV-LJQANCHMSA-N 415.457 1.964 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c3ccccc3c2O)CC1 1650848727 GQNDZOZVKYIENB-UHFFFAOYSA-N 407.879 1.424 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccccc3[C@H]2CO)s1 1652533402 SYPKAZQUJBJYPK-MRXNPFEDSA-N 422.528 1.710 30 10 HDEE N#Cc1ccccc1OCC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1653357219 HJXUMIXTSNCJQA-CYBMUJFWSA-N 401.220 1.774 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cn(C)nc1OC 1653506602 LIBDXRPUONAPCA-OAHLLOKOSA-N 419.507 1.342 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)ccc1Cl 1660393939 XXZDRGXSPZLNJY-MRXNPFEDSA-N 413.927 1.641 30 10 HDEE N#Cc1sccc1N1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)CC1 1663098121 BDQMEJKNEHZTDM-CQSZACIVSA-N 405.501 1.912 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)F)c(F)c2)CC1 1673502608 DSVYCROJJZTVQO-UHFFFAOYSA-N 406.386 1.044 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@@H](C)C4)O3)CC2)c1C#N 1676159409 CGWSHGYRTUBUQU-UVFQYZLESA-N 402.499 1.158 30 10 HDEE COc1cc2c(cc1CNC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)O[C@@H](C)C2 1680532886 RZRQLXBIELPUDT-ODYMNIRHSA-N 405.476 1.098 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)cn1 1684242916 IBIZEIPOGULMNI-KRWDZBQOSA-N 419.489 1.163 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCCCS2(=O)=O)c1 1689868231 ABYNBYKIRLJICH-SFHVURJKSA-N 415.519 1.610 30 10 HDEE C#CCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941300 LVUGOOGNKVCVIJ-VQIMIIECSA-N 410.540 1.355 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1689999867 KDSYKIMLOVGRQJ-SFHVURJKSA-N 419.489 1.257 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNC(C)=O 1690005263 YCZBNAIYSACFJA-UHFFFAOYSA-N 401.474 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC[C@H](C)C1 1690052396 IHSBFVVSZBWPPM-PMACEKPBSA-N 410.566 1.984 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCNC(=O)C2CC2)CC1 1690133569 LLHDKWUHAMETJE-UHFFFAOYSA-N 422.533 1.447 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)CC1 1690253151 NFTRMRYQALQBJN-XLIONFOSSA-N 415.542 1.856 30 10 HDEE C=C(Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1)c1ccccc1 1690325642 DEPWSFHLBMWBIE-XMSQKQJNSA-N 411.506 1.955 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690512034 KHSSZGPWCRIACO-HXUWFJFHSA-N 424.549 1.751 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690544816 BRTVHIZGQRBUNM-JKSUJKDBSA-N 409.556 1.608 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1690639359 GKZWSMNRZCSJGK-UHFFFAOYSA-N 407.482 1.301 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@](F)(C#N)C1 1690665605 JQLYFWABMSBNLD-FQEVSTJZSA-N 414.441 1.706 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCN(C)C(=O)C1 1690677268 SPRYEHRVGHLTGL-UHFFFAOYSA-N 414.535 1.459 30 10 HDEE CCc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694679032 IPMGZKPUCWCHEE-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOC(F)F 1694739358 OQMIKCAJXGLMAS-ZDUSSCGKSA-N 406.441 1.847 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1698152624 YUPLFKFTRPAELG-FZKQIMNGSA-N 414.457 1.513 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1705522785 MJGVIDMNBMCXBO-IRXDYDNUSA-N 417.510 1.884 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1705524623 PYLYPKYPCIZMAD-BEFAXECRSA-N 411.572 1.943 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705570086 KBCXWODGLOQQMF-KGLIPLIRSA-N 400.595 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCC(=O)Nc1ccccc1 1705589665 VCLRSDLLPGKNLL-UHFFFAOYSA-N 406.490 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1705598631 MXXWSMZAHLDBEC-MRXNPFEDSA-N 417.560 1.651 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)COCCO1 1705624833 QLQOPGMMKNZPLM-NRFANRHFSA-N 414.462 1.565 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(C)(C)O 1705626568 BCVBBMWDNIJADN-UHFFFAOYSA-N 424.505 1.439 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705662689 HMCHYBGFNBHCSU-HNNXBMFYSA-N 410.590 1.920 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC[C@H]1C 1705667706 PYLKSUBUUGIJDC-VGOFRKELSA-N 416.570 1.909 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705735249 MGTZQFHAYDFDTH-NRFANRHFSA-N 416.526 1.953 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1705892637 UXTRFWQXECFURX-UHFFFAOYSA-N 423.565 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705932193 OQJKUGQNTFNXRC-BEFAXECRSA-N 421.523 1.258 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCOC 1709193648 VEDHXVTWEISFME-GOSISDBHSA-N 412.494 1.870 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1711026040 CMWZDXFCUVMOEW-HZPDHXFCSA-N 400.508 1.601 30 10 HDEE CN(CC1CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1711138683 ACNHOJPOFILETP-ZPHPHTNESA-N 410.482 1.441 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2Cc2nncn2C)c1 1722305989 NQKDLTAZLSOGAC-UHFFFAOYSA-N 406.494 1.809 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1722366674 JNDAQARGZITIMN-MRXNPFEDSA-N 409.556 1.020 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1722380230 IPQBFVSHJCDEBJ-UHFFFAOYSA-N 411.462 1.010 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@]1(C)CN(C2CC2)C1=O 1722399716 RNXMMFAVDWBCBN-QHCPKHFHSA-N 402.502 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc2nsnc2c1 1722425471 ZXVHMGONKMTHNL-UHFFFAOYSA-N 406.475 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCOCC1(C)C 1722425907 QDKNVXDGSYURDT-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722452250 CQASDHWIGPQTQE-KRWDZBQOSA-N 418.567 1.185 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCS(=O)(=O)CC1 1722453795 CSWODIZRTZGNDO-UHFFFAOYSA-N 406.533 1.555 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722549208 GKBNMXUKHSAHII-NSHDSACASA-N 417.823 1.936 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCOCCS(C)(=O)=O)CC1 1722579992 NAWXBCSZQCURPX-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE CCCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728205709 MZYWOSUPCRQMKM-UHFFFAOYSA-N 411.510 1.928 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728451404 QLTUALKMQMPXJM-HTXNQAPBSA-N 410.482 1.442 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1730850278 DZNJEGLWIXTRRJ-DBXWQHBBSA-N 420.558 1.853 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 1730850829 JYTARTWKFOEXSB-LPHOPBHVSA-N 407.515 1.674 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1731189406 MQACXHSXBZBTBC-DLBZAZTESA-N 402.499 1.184 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740578743 FQVGVZZSTYBAOU-CABCVRRESA-N 418.523 1.597 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1740581246 STUIWPXKSYNNIW-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1740629071 ZUUDGXGACCWGFZ-DLBZAZTESA-N 424.567 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(C)(=O)=O 1740654579 QGZZZDHOJDQHEM-UHFFFAOYSA-N 406.458 1.655 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1740654849 RPWQIEBMCVCWSM-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1740669231 RXGJPVVICBUDCU-UHFFFAOYSA-N 422.489 1.193 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCN(C)C1 1740681919 YICSDRYSLCLQJY-FQEVSTJZSA-N 421.904 1.890 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCOC2)C1 1740709496 HUPQWHZYBPBQEX-FQEVSTJZSA-N 412.519 1.909 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1740717255 NKKDQDMCGFYFPA-PBHICJAKSA-N 413.503 1.469 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1740885332 DKXQFGOKOYQJTH-QGZVFWFLSA-N 414.514 1.330 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1740899390 MBPYHVQHSDDATF-HNNXBMFYSA-N 419.555 1.363 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1740955442 UTZCUQDIQOQEKM-IBGZPJMESA-N 405.506 1.793 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(OC)C1 1740962222 WGAZBJUVAAXZOS-LJQANCHMSA-N 404.540 1.941 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1741131260 RWVNDXBZVCBPBW-CYBMUJFWSA-N 415.498 1.764 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1748684356 HQUFBEXJZBNSON-DNTCVELPSA-N 422.493 1.124 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1748803524 ZYHRYDIJUWGTRN-OAHLLOKOSA-N 409.556 1.191 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1748824378 OTIODLIVSCQAMM-JKSUJKDBSA-N 410.540 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1748843827 KAAIYJJBJOWSPX-UHFFFAOYSA-N 418.501 1.272 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC2([S@@](C)=O)CC2)CC1 1748984021 IXLJUYQJYPUMOH-GDLZYMKVSA-N 413.547 1.620 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749268667 FDHGZIOXVRSGGM-JKSUJKDBSA-N 422.961 1.714 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O)C1CC1 1749519334 JHDWIDNUPFIYKQ-CQSZACIVSA-N 409.512 1.177 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)Cc1cnccn1 1749659465 CYGBGGHWJUMVTP-UHFFFAOYSA-N 423.477 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CC2)CC1 1749723605 AFWIULFZDIRWQS-UHFFFAOYSA-N 419.551 1.979 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C1 1750197778 QMWKORFPPOMMHZ-HZPDHXFCSA-N 405.480 1.656 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1751602705 WYMCYNJRNUYWKG-ITZAQCPESA-N 420.477 1.771 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](CC(C)C)OC)CC1 1759988424 IDQZQMKIDIHQSM-WMDQAZIPSA-N 402.535 1.924 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760144558 SZTBOXZAYHJRPL-OAHLLOKOSA-N 418.523 1.598 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760185896 GRWRBSQNXRUEOD-FXAWDEMLSA-N 420.510 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N(C)C 1760202278 YPMBMYJIQRDOCF-VQTJNVASSA-N 404.518 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(=O)Nc2c(C)cccc2C)CC1 1760266339 WAYRSGYHVXUFTH-UHFFFAOYSA-N 408.506 1.808 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760527279 QZMODEPIALZQGF-INIZCTEOSA-N 421.505 1.250 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1767624827 RJTOMAPMXLAHMM-OAQYLSRUSA-N 405.462 1.739 30 10 HDEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1771027189 OCMCBLFVJIJJDG-UHFFFAOYSA-N 421.509 1.698 30 10 HDEE Cn1cc(C#CCNC(=O)c2ccccc2C(=O)N2CCN(C3CCCC3)CC2)cn1 1850010166 RYGXOVMMSXWGIT-UHFFFAOYSA-N 419.529 1.902 30 10 HDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1cccc(F)c1C#N 1852756420 ZYMINYHTCJTESM-NSHDSACASA-N 422.404 1.769 30 10 HDEE CN(C(=O)c1cc(C(F)(F)F)n(C)n1)c1snc(N2CCOCC2)c1C#N 1852878972 ZGYLJVQGEMLBQZ-UHFFFAOYSA-N 400.386 1.880 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)C[C@@H]1CCOC1 1852928864 RMMOEZINDGKVDA-INIZCTEOSA-N 417.473 1.912 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1F 1853119409 PRGAFINSPQEBES-UHFFFAOYSA-N 406.417 1.751 30 10 HDEE CC(C)N(C[C@@H]1CC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854068697 KYIBIANWLYUYOM-FUHWJXTLSA-N 403.504 1.444 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(C)C[C@@H]3C3CCOCC3)C2=O)cc1C#N 1854217603 FXCSSGSUQYZJQP-LEWJYISDSA-N 410.518 1.650 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1=O 1854331057 SRHQZZNMLSDAJE-ZWKOTPCHSA-N 405.445 1.744 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)C3CC4(CC(=O)C4)C3)C2=O)C1 1854336823 PYUYUUJECHKBIN-SFHVURJKSA-N 408.458 1.293 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)CCC1=O 1854357628 RPSAIMJWFWDWQE-WMZOPIPTSA-N 403.504 1.527 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc32)C(=O)C12CCCCC2 1854415905 QZJDPSYNZKMECJ-KRWDZBQOSA-N 401.488 1.553 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@H]1C 1854726277 RRWXNFFLDDGQBD-NVXWUHKLSA-N 423.510 1.614 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)CCc3scnc3C)C2=O)CC1=O 1854861882 BNSTZFHPUPSEAP-HOTGVXAUSA-N 404.536 1.478 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3ccccc23)CCN1CC(=O)c1ccc(C#N)cc1 1855166118 FYTURWFVRSKWKC-OAHLLOKOSA-N 401.426 1.762 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)cc1 1855198400 GQVLWQASYVTRPZ-WOJBJXKFSA-N 406.490 1.622 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4c(OC)cccc43)CCC2=O)CC1=O 1855241038 PPICKNIPQUAWKM-IRXDYDNUSA-N 411.502 1.857 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc2N1CCCC#N 1856282057 OJMXEGCUBDSBNR-CQSZACIVSA-N 404.492 1.340 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@H](C)[C@@H](COC)C3)ccc21 1856935773 LOAZNYQFGOUNKQ-GOEBONIOSA-N 406.504 1.972 30 10 HDEE Cc1noc(C)c1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857477753 QVBCUYFDLGFCGC-HNNXBMFYSA-N 409.446 1.700 30 10 HDEE C=CCOc1cn(CCCCN2CCCC2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870386973 KYAPYRXHGSCTMS-UHFFFAOYSA-N 416.566 1.986 30 10 HDEE COC[C@@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C=CCN1C(=O)OC(C)(C)C 1887049790 KEFZDZSTSOAZSN-HXUWFJFHSA-N 402.403 1.933 30 10 HDEE CN(C)CC#CC1CCN(C(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)CC1 1889793219 VFPFTPILGBAQBG-KRWDZBQOSA-N 418.563 1.149 30 10 HDEE C[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2015913176 QZIDBDUMEKAOFV-YPMHNXCESA-N 424.282 1.966 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)s1 2054405951 QHSNBVDNXZADBJ-JKSUJKDBSA-N 421.500 1.982 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nccc(C#N)c2Cl)[C@H]2CS(=O)(=O)C[C@H]21 2174813584 YCMWNBAYIYKNFG-QWHCGFSZSA-N 412.899 1.829 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243380114 UPPBXFWZDWSBNM-FMKPAKJESA-N 408.304 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CC1 2243676039 DTPJDBORMVBSQD-UHFFFAOYSA-N 409.336 1.843 30 10 HDEE COC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243703969 YVEDPYMRWJYEQO-UHFFFAOYSA-N 408.304 1.810 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248058541 ZQVOWLQBHUYQKX-UHFFFAOYSA-N 410.327 1.980 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@@](C)(C#N)C1)NC(=O)OCc1ccccc1 2258158362 KKGCUUSCTQGPAO-QAPCUYQASA-N 409.464 1.020 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2263347778 CWMLEZUGPMLTJZ-MRVPVSSYSA-N 411.260 1.897 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@H]4C[C@H]43)cc2Cl)OC1(C)C 2267356834 OSEGFRLMSVUCQA-MNOVXSKESA-N 405.734 1.863 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCS[C@@H](CO)C2)OC1(C)C 2267464070 FOSDHMAWJLCGCR-LLVKDONJSA-N 405.372 1.146 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCS3(=O)=O)sc2Cl)OC1(C)C 2267550079 UTZFGQPFEZSRJG-SECBINFHSA-N 405.734 1.618 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1cc(Cl)ccc1C#N 2270681654 ZPKHJFCHEPXLHR-MRXNPFEDSA-N 403.888 1.766 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1C1(C)OCCO1 2282036276 GWXPZJAKNFICPI-HNNXBMFYSA-N 405.304 1.477 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CNC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282309516 GNGNOUWHMYGLMM-QWHCGFSZSA-N 400.375 1.490 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2(CN)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282327356 GUYMJRWCQSBRDM-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CC(C)[C@@H](N)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492256 QHQNPSLQZTYMIH-AWEZNQCLSA-N 402.753 1.901 30 10 HDEE C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282496298 YPFKHAWLNXXPNU-NWDGAFQWSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCOC2=O)OC1(C)C 2282500279 JMIDTLRKVVDVDM-LBPRGKRZSA-N 401.677 1.233 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCNCC2)OC1(C)C 2282505396 CPMPJRSZBBEDDR-LBPRGKRZSA-N 401.363 1.004 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@@H]2CN)OC1(C)C 2282505575 GDTRUHIEHNBQRA-TZMCWYRMSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@@H]2CS(C)(=O)=O)OC1(C)C 2282517749 CELHLCWDZTYORC-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CNC[C@H](F)C3)cc2Cl)OC1(C)C 2282829934 MWCIIWNELYCBBL-NXEZZACHSA-N 424.756 1.679 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@]23CC3(F)F)OC1(C)C 2282831846 FLWXFAALOGRGMV-YGRLFVJLSA-N 406.285 1.659 30 10 HDEE CSC[C@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282839386 CSQPLQHFXXDDGF-TXEJJXNPSA-N 401.363 1.139 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282839519 FJYUKTHVUAOXSP-QWHCGFSZSA-N 401.359 1.713 30 10 HDEE C[C@H]1CC[C@@H](CN)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852765 TVSVGDQWCXOSON-STQMWFEESA-N 400.375 1.795 30 10 HDEE Cc1nc(S(=O)(=O)N(C)[C@H]2CCSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870389 RDSSTXMSBFUWDW-LBPRGKRZSA-N 401.363 1.154 30 10 HDEE CN(CCC(N)=O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282873924 SAOCSKIPVGACKO-UHFFFAOYSA-N 402.709 1.135 30 10 HDEE C[C@H](ONS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414388 QOXVXPOYTPEETH-VIFPVBQESA-N 405.665 1.322 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2290370726 AGPNELJLJPXHGO-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CC(C)(C#C[C@H](N)C1(O)CCN(C(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2317383261 HOZVBEORHZOHCT-KRWDZBQOSA-N 408.520 1.304 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2362723701 CPVLGSJMHXCQNK-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 2365199550 PFAVEQDCFGJQTD-QMTMVMCOSA-N 402.557 1.457 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C 2365210557 KRPGNHAAMMBRCA-CABCVRRESA-N 415.581 1.994 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2365212753 RGXXPLAEWARPJE-BEFAXECRSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OC 2367801535 TWUHCYIMGWPUAN-OAGGEKHMSA-N 400.541 1.427 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367803224 IYKILJMDJKUSPA-BZUAXINKSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H]1C(C)(C)C 2367830062 FVURBGFUIJSNLB-PJIJBLCYSA-N 400.541 1.291 30 10 HDEE CN(CCO)c1nc(N)c2c(N)nc3c(c2c1C#N)CC(=O)N3Cc1cccs1 25702832 PVNAOUXHOXKPSI-UHFFFAOYSA-N 409.475 1.245 30 10 HDEE COC1=CC[C@@H]2C[C@H]3O[C@H](OC)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 31544228 CMAMLOVJSUVTPI-FGDGJSBZSA-N 410.507 1.656 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(I)cc2)CC1 53308918 JVSJURKHDOFWHC-UHFFFAOYSA-N 413.259 1.351 30 10 HDEE C/C(=N\Nc1nnc(Sc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)[nH]1)c1ccccc1 105380963 XKKZRGSJFRQSKK-ZVBGSRNCSA-N 411.451 1.066 30 10 HDEE C[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 247985590 YYHNRALKFPWLKV-OPOADAIRSA-N 420.381 1.760 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254513944 JJCBBYLBKQSFNG-CABCVRRESA-N 424.500 1.746 30 10 HDEE C[C@@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)n1cnc(C#N)n1 409846209 YIJBFHGQQGPYDE-LBPRGKRZSA-N 419.283 1.626 30 10 HDEE Cc1c(C#N)c(NC(=O)CCN2CCN(CCO)[C@H](C)C2)n(Cc2ccco2)c1C 426491280 GZBSQRCRWNGWSP-MRXNPFEDSA-N 413.522 1.945 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1ccc(CN2CCOCC2)cc1 443092870 XNFSVFJASUCCSI-UHFFFAOYSA-N 416.459 1.777 30 10 HDEE CCOCc1nc([C@@H](C)NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 460672765 DWTFYBDAQKXOFR-CZUORRHYSA-N 412.450 1.639 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461285018 XQWIPANCTPSZGA-UHFFFAOYSA-N 402.461 1.703 30 10 HDEE Cc1nnnn1[C@H](Cc1ccc(F)cc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461288999 BJMGTDWMLYQQMC-GOSISDBHSA-N 417.408 1.996 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCOC2)[C@@H](C)C1 461695773 LZDMMFWEKJENOG-QFBILLFUSA-N 424.505 1.822 30 10 HDEE N#CCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CC1 465144302 HXZFLCRCJUJWOW-UHFFFAOYSA-N 424.526 1.715 30 10 HDEE CCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 472310583 GPTBSOZNNSYKCY-UHFFFAOYSA-N 419.532 1.840 30 10 HDEE C=CCNC(=O)c1ccc(N2CCN(c3ccccc3S(=O)(=O)NC)CC2)nc1 495380506 QGQRXTNSGGLHEI-UHFFFAOYSA-N 415.519 1.232 30 10 HDEE CC(C)CN(C(=O)Cn1cc(C#N)c(=O)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 502587371 IOSGFTGOASKZIX-MRXNPFEDSA-N 401.488 1.545 30 10 HDEE Cc1cc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n2ncnc2n1 505798687 GBWXMPOAEDDHRE-FQEVSTJZSA-N 413.482 1.343 30 10 HDEE Cn1c([C@H]2COCCO2)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 507840118 DVVIFZGDWGISLQ-GOSISDBHSA-N 405.462 1.649 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(Cc3cccs3)C2)CC1 522310110 ZNOMVXBKLVCQGE-SFHVURJKSA-N 419.595 1.590 30 10 HDEE COc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C)c1=O 523306163 PLUBXISVOZSQKD-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1F 539861175 ZZIWYOAXLUCJTQ-PXNSSMCTSA-N 403.479 1.859 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541098860 POPCVUGDZYGTHC-ZDUSSCGKSA-N 408.871 1.553 30 10 HDEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1nccs1 541608991 CDDJNRRLZZEVDV-CQSZACIVSA-N 419.532 1.834 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)n1 544887807 ANTYAKGBUFJPRK-LJQANCHMSA-N 404.474 1.980 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)NCc3ccc(Cl)cc3)CC2)n1 546198675 AUDMQGPWQISBDT-UHFFFAOYSA-N 412.881 1.755 30 10 HDEE C=C(C)Cn1c(-c2ccccc2Br)nnc1N1CCO[C@@H](C(N)=O)C1 549679183 TZLXVOMEMUNDCZ-CQSZACIVSA-N 406.284 1.974 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 558176272 UCSJOZOKQWGPFI-KRWDZBQOSA-N 420.535 1.925 30 10 HDEE Cc1ccc([C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)cc1 585774574 ODYGEZCKIQCSNT-OAQYLSRUSA-N 424.476 1.812 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](C#N)c2ccc(F)cc2)C1 609161658 WJEJZFUUHUXLDF-NVXWUHKLSA-N 419.482 1.947 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)nc3)CC2)c([N+](=O)[O-])c1 609641333 POBQWCRWDCYFEJ-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2ccc(C#N)cc2F)[C@H](C)O)cc1 611527252 WLWDJHZLMVIBCT-SCLBCKFNSA-N 405.451 1.350 30 10 HDEE CN(C)CCn1cc(NC(=O)C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)cn1 676099533 RRTAUXXSFQTCND-UHFFFAOYSA-N 407.396 1.570 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669584 QZTXMNQGEKWVKD-UHFFFAOYSA-N 424.526 1.712 30 10 HDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671981 SBNIYMDJXXIZDR-UHFFFAOYSA-N 407.499 1.093 30 10 HDEE C=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 730143706 CTDWXYVGXBYRKK-KRWDZBQOSA-N 420.535 1.889 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732675947 BHBIBABSFPZYPP-LJQANCHMSA-N 419.551 1.396 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 742282421 RBGGIQLEXQPASP-UHFFFAOYSA-N 402.270 1.687 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(C#N)c2)c1 746876122 ARJRDKZPTSPPBB-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1 747501220 YUEBPUHVKGSOEU-IEBWSBKVSA-N 400.479 1.947 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN1c1ncnc2ccccc12 750778746 SCIWHJQOWRBKGH-XMMQZVGTSA-N 406.446 1.241 30 10 HDEE CCc1c(C(=O)Nc2ccc(F)cc2OCC#N)cnc2c1c(=O)n(C)c(=O)n2C 754077661 XUNBYPBEWNNSHZ-UHFFFAOYSA-N 411.393 1.488 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 758630891 PVGVTTFDHLBTJC-IRXDYDNUSA-N 403.545 1.611 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CSCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 759325751 DXMDDLDPIKDOAK-RTBURBONSA-N 421.588 1.436 30 10 HDEE C#CCN(C(=O)c1cccc(-c2cnc3nc(O)n(C)c3c2)c1)[C@H]1CCS(=O)(=O)C1 771826154 MTWZGXLZANKIIM-KRWDZBQOSA-N 424.482 1.603 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 774253263 SKXDDFCMRKEOGH-PKOBYXMFSA-N 420.531 1.742 30 10 HDEE CN(C)Cc1ccc(C(N)=NOCC(=O)NCc2cnn(-c3ccccc3)c2)cc1 774827758 VGJMRWZUGZSBTA-UHFFFAOYSA-N 406.490 1.887 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(=O)O)CCC1 776640674 CEACNNRQSBTDOL-AWEZNQCLSA-N 407.492 1.655 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780286260 ASILMEUOSDZZNJ-IIBYNOLFSA-N 406.527 1.080 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1C#N 787879220 NENVTWJYBWEGHK-UHFFFAOYSA-N 415.833 1.924 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)n1 788693991 LIBSRFQVZUKYLO-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C\c2ccccc2)n2nnnc2C)n1 790109330 WLMWGPUZIGNMMM-HMMYKYKNSA-N 405.462 1.485 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncccc1O 792613816 SRHMRCRDKVPLEF-CQSZACIVSA-N 402.476 1.701 30 10 HDEE C#CCOc1ccc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792741595 ZDCZVSITWKMJJE-FQEVSTJZSA-N 421.545 1.635 30 10 HDEE Cc1c(NC(=O)[C@H](C)OC(=O)c2ccnc(C#N)c2)c(=O)n(-c2ccccc2)n1C 795969503 GGCKHMGXUWFLTQ-AWEZNQCLSA-N 405.414 1.935 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 797257919 AJHAUBRMJHZSAN-UHFFFAOYSA-N 424.519 1.527 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCC2=O)cc1 799039554 HLSXMRDLTISTSG-UHFFFAOYSA-N 412.471 1.881 30 10 HDEE C#CCNC(=O)COC(=O)c1cc(Br)cc(I)c1 803864540 MOZLIVTYGPWPEE-UHFFFAOYSA-N 422.016 1.960 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 805786394 QNPCCXZILVYICV-TZIWHRDSSA-N 414.550 1.489 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@](CO)(c3ccccc3)C2)cc1 811501733 UWBXVZBBFKZYKU-OAQYLSRUSA-N 413.499 1.389 30 10 HDEE N#Cc1cc(C(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)cnc1C(F)(F)F 856615514 QMZVTIYOJYHNAY-LSDHHAIUSA-N 403.364 1.963 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139811469 MXVFZHGHACBQKK-INIZCTEOSA-N 423.473 1.778 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1 1143719797 GRWKSYUGFPQFLQ-FQEVSTJZSA-N 422.510 1.821 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2cccc(F)c2)CC1)c1cc[nH]n1 1148636542 JTMPMKLTYLKLJP-UHFFFAOYSA-N 418.425 1.903 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](O)CC4(CCOCC4)C3)ccc2c1=O 1152953653 SRSGFPZPAAFHPX-OAHLLOKOSA-N 415.515 1.875 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CCOCC1 1155806374 IZSQBAOVLHKVMT-UHFFFAOYSA-N 405.303 1.960 30 10 HDEE Cc1cn2c(n1)C[C@@H](C(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O)CC2 1183325375 TUKUMGULULIXJR-LBPRGKRZSA-N 404.268 1.937 30 10 HDEE C[C@@H](NC(=O)CNC(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(F)cc1 1195876997 QPNMPBVZVZBUNM-FOIQADDNSA-N 412.465 1.656 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(-n3ccc(C(=O)OCC)n3)c2)nn1 1230271827 KOSHJVHXHRRUIF-UHFFFAOYSA-N 409.450 1.826 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cnn1CCC#N 1264188175 YJXZQRGWLMUJFG-UHFFFAOYSA-N 421.910 1.905 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1 1275548904 CEWDCIZATXWEDY-SFHVURJKSA-N 406.442 1.971 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1286496249 BVOHMQORZGLVQA-HXUWFJFHSA-N 424.574 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286785398 KQVJBUVQPPKHRQ-OAQYLSRUSA-N 424.509 1.071 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)Cc1ccccc1N1CCOCC1 1286785654 ICVNGAAWUYADPD-UHFFFAOYSA-N 410.522 1.931 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)NC)C1 1286805522 UNEFXWOWOYWJCB-AWEZNQCLSA-N 409.487 1.415 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1291205858 OZDSFUZLRGVBST-VXGBXAGGSA-N 410.525 1.343 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1297054568 PSMJQLKLDNNPQA-MGPUTAFESA-N 405.451 1.448 30 10 HDEE CCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297592886 VPEYOYDIGNTXJH-UHFFFAOYSA-N 422.493 1.711 30 10 HDEE CC[S@](=O)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297807239 WVFSNCQTRFIWLE-PMERELPUSA-N 424.490 1.039 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1299142489 SYMRXXOXMOLXAP-KRWDZBQOSA-N 407.434 1.113 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)COCCO1 1300433011 VWFHSBIOVXBLHV-HXUWFJFHSA-N 417.897 1.736 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1300458982 OHTQDINSOOEMMS-KRWDZBQOSA-N 414.535 1.293 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1300509231 HTFPBCQGGBHNMS-INIZCTEOSA-N 415.519 1.156 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1300512633 LFAYNNBJYQTZGH-JOCHJYFZSA-N 413.522 1.309 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1300537303 DDFKZRHCXITPTN-OAHLLOKOSA-N 417.560 1.515 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1Cl 1300545473 PQEFVXGRODXDJP-UHFFFAOYSA-N 412.881 1.601 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1300578542 LVRXOJMWTMHPOH-IPMKNSEASA-N 416.547 1.624 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1300682816 KBRQIVXBHAFOFD-UXHICEINSA-N 406.534 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](COC)OC)CC1 1300718436 OIWRCNRVXZRSJO-KRWDZBQOSA-N 415.494 1.474 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300991792 QXIGZVKINTZNGI-QGZVFWFLSA-N 416.526 1.271 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1)OC 1301011123 ASZLWSZVQHOQDA-KZULUSFZSA-N 406.418 1.109 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)CC1 1301065163 AJYXFVKOYQRWSC-CQSZACIVSA-N 420.539 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CCC)C1 1301587289 TVUCSMMDHMXHQD-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CCN(C)C)c1cccnc1 1303873481 CYYQVRYTOGJSOY-KXBFYZLASA-N 415.519 1.429 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CC2)cs1 1304675161 DWQSOZCPFTYCKT-ASHKIFAZSA-N 406.537 1.274 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OCC 1309505565 CQUSYELCYVKZGD-ZDUSSCGKSA-N 405.494 1.275 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)NCc3nc(C#N)cs3)C2)CC1 1313349948 CWEFIKKTFPRHAJ-HNNXBMFYSA-N 420.539 1.851 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 1318005518 MTYVFOQYOHIRKQ-UHFFFAOYSA-N 414.510 1.155 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 1320199891 CTFSVVNBXMGEMP-GOSISDBHSA-N 406.914 1.975 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1358870904 WMFDODYLSSCEFP-INIZCTEOSA-N 417.535 1.489 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1358889683 FNKZXSPGQFVAQK-WMZOPIPTSA-N 402.520 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1358889841 HMPKCKYXNJDCNO-ZBFHGGJFSA-N 420.510 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(OCCOC)CCOCC1 1358895912 TWZGBXISIUQCJR-KRWDZBQOSA-N 419.526 1.071 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358950770 XRWPOQBHENJLIO-UHFFFAOYSA-N 409.515 1.926 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2cccn2)c1 1358952240 COKGJPWDDBCOCN-UHFFFAOYSA-N 403.490 1.763 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358961182 SRGXNOADUDNVBA-INIZCTEOSA-N 420.539 1.120 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccs2)CC1 1359297480 RYRYFJTYXWAIMW-UHFFFAOYSA-N 411.535 1.974 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359334716 OMGCORLBAFFZEN-CYBMUJFWSA-N 408.446 1.599 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)nc1 1442088659 FMGJMPZAAPWIPA-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C=CCC[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1449726632 NFKNUDJIECRVGK-MRVPVSSYSA-N 424.093 1.817 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1452242829 LZAURQJNIYJDHX-ZIAGYGMSSA-N 422.482 1.520 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3ccsc3C#N)CC2)C1 1453391188 XHUDEVBBBOUSAT-UHFFFAOYSA-N 406.508 1.640 30 10 HDEE C=CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)[C@@H]1CCS(=O)(=O)C1 1456087349 PBQDXNOPCWIJLM-OAHLLOKOSA-N 419.503 1.920 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1456787377 UDYZFSQHSKKMJQ-DNVCBOLYSA-N 409.324 1.839 30 10 HDEE COc1ccc(C#N)cc1CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1460886876 NPRFHZALBHCHTH-SJORKVTESA-N 421.519 1.785 30 10 HDEE CN1CCN(c2ccc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)cn2)CC1 1463909628 WGCUFCFGVRHNNI-UHFFFAOYSA-N 417.466 1.522 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1467516649 UOVGYSCEDFLHQZ-KZNAEPCWSA-N 420.462 1.273 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C[C@H](CO)OC(C)(C)C3)C2)C1 1469188642 QSTBOFFUWPNGQO-FMPZLKCCSA-N 407.511 1.772 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1472162942 SADPDXVCCNJHNF-ILMPWQCYSA-N 424.457 1.467 30 10 HDEE CC(C)(C#N)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472221841 DJAWWOYQFOQUDE-FXUPRZHBSA-N 403.504 1.429 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)Cc2ccccc21 1473692352 BQXNJQREMLRKFN-GOSISDBHSA-N 423.473 1.276 30 10 HDEE C=CCCn1cc(C(=O)N(CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)nn1 1488457113 CRODAESBWSCMKI-LHHMMCJZSA-N 401.511 1.587 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(O)[C@H](C)CC 1499140759 HOBVICRHLUKJHQ-VFNWGFHPSA-N 414.558 1.878 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1503279417 FCPXEGGIZBECJO-QGZVFWFLSA-N 424.571 1.979 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1504809922 YKVGJZILEKZSNJ-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1504953925 HQLWTFRFOPQBGO-AWEZNQCLSA-N 413.482 1.284 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(C)n(C)c2=O)c1 1507548233 PYKJLOICDBYKGA-UHFFFAOYSA-N 404.474 1.698 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1507608537 KKCUJOWPSULDRH-VLGSPTGOSA-N 411.853 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC1CC1 1507643841 SSKDHKGQGXAKMC-UHFFFAOYSA-N 415.295 1.635 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCn1cccn1 1507645153 VFYHUANWJZIJAR-UHFFFAOYSA-N 422.514 1.708 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2COCCO2)CC1 1507723115 VNQLXOJWUCZPDA-INIZCTEOSA-N 401.898 1.769 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN2CCCO)CC1 1507730516 RRLZKAKOZGIPDC-LJQANCHMSA-N 402.587 1.469 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1507730873 XEUMSDOTHVCKQG-LJQANCHMSA-N 411.554 1.632 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2cnn(-c3ccccc3)c2)CC1 1507733055 NQWHVGDTOQQHFK-UHFFFAOYSA-N 419.533 1.998 30 10 HDEE CC(=O)NCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1508379415 KRIDYBCHQUVICA-QGZVFWFLSA-N 420.477 1.590 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1509633828 HMKFWPISUBMMMN-MRXNPFEDSA-N 403.531 1.267 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)CCOC1 1509808400 UBHRDUSCUIVEIN-RBUKOAKNSA-N 418.477 1.442 30 10 HDEE Cc1ccoc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1510499931 GUVYAAJXZFUCPL-UHFFFAOYSA-N 414.491 1.752 30 10 HDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)NC(C)C)o1 1510803412 KISMIETYMHLMJO-UHFFFAOYSA-N 421.461 1.906 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)NC(C)C 1511273065 APOKMTKGZCVWRE-INIZCTEOSA-N 418.523 1.310 30 10 HDEE CC1=CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1511393540 CVWHSNVHYNVJFV-HTXNQAPBSA-N 406.450 1.418 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1CC1(O)CCOCC1 1519166269 GLRAXNLZSBYPMG-UHFFFAOYSA-N 415.494 1.862 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1532372757 QXQUVNVIZGMEQO-GASCZTMLSA-N 400.504 1.834 30 10 HDEE COC(=O)c1ccn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 1534147071 RIHNXBVAHNVLHB-LTGZKZEYSA-N 419.463 1.121 30 10 HDEE CCO[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN(C)C 1534456804 WJKFTQZLFOAPFO-SFHVURJKSA-N 422.551 1.042 30 10 HDEE N#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(F)(F)F 1535464508 JFAQLBDSCHUGED-CYBMUJFWSA-N 409.361 1.421 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539119231 IQPASRGKBNFUOI-VFNWGFHPSA-N 414.510 1.400 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNC(=O)C1CC1 1539232465 DLYARAJGQCAXJV-UHFFFAOYSA-N 418.501 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1539343563 MGZGKQSJEOKWTD-ZDUSSCGKSA-N 406.512 1.263 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc(C)cs1 1539400897 MTVYVHXUNUWSTP-LJQANCHMSA-N 405.524 1.829 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2CCOCC2)CC1 1539454587 TXVYBQHFONAGIH-UHFFFAOYSA-N 400.552 1.816 30 10 HDEE CN(CC(=O)Nc1nc2n(c1C#N)CCOC2)C(=O)c1ccc(Br)s1 1539554285 VWFFDFCDQUOIBW-UHFFFAOYSA-N 424.280 1.820 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC2(CC1)COC(=O)N2 1539639571 ADWZMJXOYRMNCG-NVXWUHKLSA-N 405.499 1.875 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)CC(=O)N1CCOCC1 1539640825 JZJGMTQBUIFPEZ-APWZRJJASA-N 407.515 1.091 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)CC1 1539954012 YAVNXJPSEXUHSR-AWEZNQCLSA-N 414.532 1.133 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1540071311 DVDQTLCNBQIQFX-SFHVURJKSA-N 419.551 1.784 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O)N(C)C 1541840320 HZFDVOSFDPXWON-OAHLLOKOSA-N 404.540 1.638 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCC[C@@H]2CNC(N)=O)C1 1542767293 VTLKIELQNLJKEW-OAHLLOKOSA-N 420.311 1.806 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)n[nH]2)c1 1543097280 WLRXQFRSGUXKKI-KQWNVCNZSA-N 402.480 1.676 30 10 HDEE CCc1nnc(S)n1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1543983049 ZSRSFSYMBAMJDF-GFCCVEGCSA-N 418.910 1.824 30 10 HDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CC1 1552794704 HJLYIESNSGZRRK-IEBWSBKVSA-N 423.521 1.381 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1554940735 GJXSAXHILPRFLO-HZPDHXFCSA-N 414.466 1.361 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1sc(C)nc1C 1555668806 GTFAEGHGASPCDP-DZGCQCFKSA-N 406.512 1.853 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2nc(=O)o[nH]2)C(C)(C)C)ccc1F 1557157027 GLVXDMCEZWHXDV-CYBMUJFWSA-N 412.443 1.484 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 1557243616 WKMSBDLJZOLCFS-PXNSSMCTSA-N 417.469 1.736 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)CSc1ccc(C#N)cc1 1557523081 MUQQBFURWFZZRO-FQEVSTJZSA-N 421.519 1.765 30 10 HDEE N#Cc1cn(CCNC(=O)CCOc2cccc(Br)c2)c(=O)nc1O 1557599982 HNEUUTXYMYMTDB-UHFFFAOYSA-N 407.224 1.168 30 10 HDEE CN(C)C(=O)O[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1559847884 CTSZHGUHNOHEJS-SJORKVTESA-N 419.551 1.620 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OCC 1561828495 PPGJFEGKRHRLRQ-GFCCVEGCSA-N 423.846 1.974 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)[C@H]1CCCO1 1563027813 BKDIQKMHIXKRNC-PKOBYXMFSA-N 421.519 1.572 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1569184064 ISUGKVDLEQLDQA-QVKFZJNVSA-N 417.462 1.476 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1569724644 BFBPFORGISNINM-MRXNPFEDSA-N 409.464 1.742 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1569787806 IIFABIKEHGUPHB-FVQHAEBGSA-N 419.503 1.193 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1583958259 ZQYAGVRSBXNRPQ-QWHCGFSZSA-N 407.433 1.484 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cnccc2C#N)C1 1584182754 RPBRHQVVTYQMNV-CQSZACIVSA-N 408.480 1.107 30 10 HDEE C=CCn1cc(CNC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)nn1 1584319275 SZZQOSBLJGRICQ-UHFFFAOYSA-N 415.498 1.782 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC(C)C 1587580218 NYXDNNAEPOJXDO-CQSZACIVSA-N 403.508 1.331 30 10 HDEE C#CCCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587783215 LIXBAZWIAVNIHH-LJQANCHMSA-N 411.506 1.920 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1587979103 HRATXZSANSUGPC-UHFFFAOYSA-N 407.496 1.289 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588065425 YIBVITBDLXOVFY-HKUYNNGSSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC1CC1 1588233664 NKJGZTLWJPGQLQ-HXUWFJFHSA-N 419.485 1.780 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H](C)N1CCN(CC)CC1 1588241773 VVICMTTZMDHTPH-NRFANRHFSA-N 419.577 1.753 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 1588800961 STZSBJXAUVVZEV-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1588975580 HFWRICBRMQGHPI-UZLBHIALSA-N 421.567 1.557 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](CC)C1 1588986019 XZXXMWJQJITRNK-QLFBSQMISA-N 415.585 1.258 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1589381566 GAZQOVXAEZLTHP-GFCCVEGCSA-N 408.304 1.679 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H](C)C2)CC1 1594014581 SYTFWZFWIOGSQC-IAGOWNOFSA-N 410.588 1.777 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1594624958 CVHUIXPECOSPMK-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1594660593 LPGPMMWHFXRGRU-RXVVDRJESA-N 405.543 1.807 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)C1 1595713641 CHQLFYYMNUYKKU-SFHVURJKSA-N 415.542 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C=C)CC1 1595755515 XTRKTRSMBGVSKQ-UHFFFAOYSA-N 407.540 1.517 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)c3nnc4c(=O)[nH]ccn34)n[nH]2)c1C 1595935329 XTYZKEJMECZQLC-LLVKDONJSA-N 407.438 1.298 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCOC1 1617735766 UQRJHFPEUPHDBR-QGZVFWFLSA-N 415.519 1.867 30 10 HDEE Cc1nn(-c2cccnc2)nc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618731751 OYIDPBQWBKBISC-SFHVURJKSA-N 401.430 1.373 30 10 HDEE COC(=O)[C@@H]1C[C@@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 1619743583 BJPIWGGMRWLLQX-RTBURBONSA-N 424.501 1.819 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCc3c(sc(N)c3C#N)C2)c1 1620642855 MNMNDDRKQWJOHY-UHFFFAOYSA-N 413.503 1.666 30 10 HDEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1622819647 LLGBKOFAEHOHJB-UHFFFAOYSA-N 408.524 1.957 30 10 HDEE C#CCN(CC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)C(=O)OC(C)(C)C 1624520727 WQPKDRVGNYJWQW-INIZCTEOSA-N 402.495 1.793 30 10 HDEE CN1CCN(C(=O)C2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CC1 1624539732 OHTRYYDXIHDLJZ-UHFFFAOYSA-N 419.323 1.947 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CS(C)(=O)=O)CCC2)s1 1626582006 MHUAEONGOIKUSZ-UHFFFAOYSA-N 420.578 1.086 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1627058382 WZPTXIJYLCSUSO-KRWDZBQOSA-N 423.558 1.632 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1628350612 FMIIKSTWZLDOFC-UHFFFAOYSA-N 405.520 1.261 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1628350983 UGMDEUWOWAWAEX-ROUUACIJSA-N 419.547 1.266 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(N)c1 1629028373 XACVWXJRWZEPIO-UHFFFAOYSA-N 415.475 1.372 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)ccc1F 1630409735 RZWANERKNVRIRK-GOSISDBHSA-N 419.434 1.767 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 1631336255 SCSRYGINQNMWEK-PKOBYXMFSA-N 406.490 1.772 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1633641211 SMECDABKNSISMH-YJBOKZPZSA-N 411.911 1.635 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C2CCCC2)[C@H](C)C1 1634509457 DHCXCOYBQARLQN-CVEARBPZSA-N 404.536 1.700 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1638074619 HVTACKUVCIEWLR-IBGZPJMESA-N 403.548 1.618 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCC(=O)Nc2ncccc2C)cc1 1638582598 GPQORNITCPKJSU-UHFFFAOYSA-N 400.460 1.060 30 10 HDEE C#CC1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1638866159 PFVPVIRHCLEEJM-QGZVFWFLSA-N 410.923 1.745 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1638873419 NTRUVFTVOHRFJT-MRXNPFEDSA-N 406.504 1.778 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C 1639824009 MBBJPOZAAZRPQB-KBPBESRZSA-N 402.923 1.601 30 10 HDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1639964912 BVBYYMWSSAKBAK-RBUKOAKNSA-N 408.433 1.404 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1640913054 BLZFAVXMIXOZAF-ZDUSSCGKSA-N 415.397 1.269 30 10 HDEE CN(C)CCN(C)CCCN(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1642072818 COUOOORHBBHZCM-UHFFFAOYSA-N 408.587 1.979 30 10 HDEE COCCn1c(N)c(N(Cc2ccccc2)Cc2cncc(C#N)c2)c(O)nc1=O 1642074909 RFVNYEXUCVIVBE-UHFFFAOYSA-N 406.446 1.651 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)nn1 1643214169 OCTVFXMUEDKMEV-UHFFFAOYSA-N 411.466 1.738 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCc1ccccc1 1644096201 HOQJMYOXGNXWLX-HNNXBMFYSA-N 400.456 1.721 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)C2)C1 1644321937 VOIDNUZYOGRYQH-PWSDLVSHSA-N 405.495 1.693 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCn3ccc(O)nc3=O)CC2=O)cc1Cl 1647049871 JGPSCRPOPRPYBA-CYBMUJFWSA-N 415.837 1.033 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](C)CCO)nnc12 1651039978 PKTXZEFLZSEGPJ-CQSZACIVSA-N 415.519 1.847 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3nccc4c(S(N)(=O)=O)cccc34)CCO2)cc1 1652918757 AJXXJQGSBZTKTB-SFHVURJKSA-N 422.466 1.968 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCN(C(=O)COc4ccc(F)cc4)CC3)nc12 1653145372 DESSPUNBFWFDAJ-UHFFFAOYSA-N 410.409 1.169 30 10 HDEE C[C@H](CC(=O)NCC1(C#N)CCOCC1)NS(=O)(=O)c1cccnc1Cl 1653634103 HPHJFOBSRZKYBY-GFCCVEGCSA-N 400.888 1.228 30 10 HDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 1655431371 PLTZCIOJVGQNRA-HSZRJFAPSA-N 422.485 1.776 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)Cc2cc(F)ccc2Cl)CC1 1660464256 RIIWLHIVBFWYBQ-UHFFFAOYSA-N 401.891 1.066 30 10 HDEE CCOC(=O)c1c(NC(=O)NCc2cnc(Cl)cn2)c(C#N)cn1CCOC 1660529861 AFIXHXWHTYIPBX-UHFFFAOYSA-N 406.830 1.948 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccsc1Br 1666566895 QPWAFLXOIISLES-LLVKDONJSA-N 412.352 1.463 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 1666567515 ZIPKBNKTMMEBCB-CYBMUJFWSA-N 410.517 1.117 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)NCCCC#N)CC2)CC1 1671592128 VAUOMZUHXDHPBF-UHFFFAOYSA-N 408.503 1.290 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1 1682128178 UDOODHZASNLBLU-DOTOQJQBSA-N 419.323 1.951 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1683424757 BPSDXVFIGZHGHV-UHFFFAOYSA-N 423.498 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1689867653 VNGNFFGLHAEDBC-LZLYRXPVSA-N 403.527 1.513 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1689988681 UMASHIMEYMBCDQ-CVEARBPZSA-N 419.551 1.292 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N(C)C 1690043724 LNMVOOSEQIQIKU-UHFFFAOYSA-N 417.473 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC 1690046916 HYJJORMKSATNNU-GOSISDBHSA-N 412.515 1.700 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1690060755 HGYXPXSIHMOAEK-UHFFFAOYSA-N 404.540 1.777 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCCC2)CC1 1690129027 NCJMIXCFPSRHFQ-UHFFFAOYSA-N 407.522 1.065 30 10 HDEE C=C(Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1690325639 DEPWSFHLBMWBIE-AVRDEDQJSA-N 411.506 1.955 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690464776 KJPOFMXEGQRRRB-DNVCBOLYSA-N 409.556 1.499 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1690527806 UAKXDIWLWITKQE-BEFAXECRSA-N 408.524 1.920 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)Nc1cccc(C)c1C 1690715114 DCBZJJWDHIWPMY-UHFFFAOYSA-N 405.524 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1F 1690722954 CBAMNRVBTHCESR-INIZCTEOSA-N 421.498 1.606 30 10 HDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)N(C)C 1692721285 CVOXTRXHCSSWNY-IEBWSBKVSA-N 424.553 1.715 30 10 HDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)Cc1ccccc1 1696811825 FXXPWGDSMVTTCN-LJQANCHMSA-N 423.521 1.375 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1698299769 IDOQFLCWUVHLRG-PBHICJAKSA-N 411.503 1.581 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1698483632 HACNIBLMNPHAES-CRAIPNDOSA-N 404.471 1.260 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1705559700 FCMBYDTYDSQCCC-IRXDYDNUSA-N 407.584 1.687 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)F 1705626850 LBZBKDPRYQIGNC-UHFFFAOYSA-N 420.395 1.840 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705896656 TXULDUYXXWOLIM-SFHVURJKSA-N 421.505 1.424 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705912354 HNWKBVVQLCADRL-KSFYIVLOSA-N 424.505 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCc2ccccc2)CC1 1705930398 MNQQDQYRVSUVDB-UHFFFAOYSA-N 403.552 1.552 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1708478544 WCGHFHNRCSWREK-NSHDSACASA-N 419.436 1.708 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(CCOC)c1 1722275998 CEXFOEAMRKIUCL-UZLBHIALSA-N 402.499 1.279 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCC(=O)N(C)C)c1 1722306697 NILUMVMXJDVTBE-GOSISDBHSA-N 424.505 1.664 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371259 IHUGSHDXLSWOPL-IAOVAPTHSA-N 402.524 1.347 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1722382591 ASFFOYFEBVOBQQ-KRWDZBQOSA-N 421.567 1.510 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722428851 KXSAKCPPKJNYIX-LJQANCHMSA-N 423.517 1.592 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](CC(C)C)N(C)C)CC1 1722428902 CPFCXLIBAPNGIY-IBGZPJMESA-N 415.586 1.246 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1722518044 SRWXFTPDKDRJDE-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722523476 VIKYYABZCYLNIK-ZIAGYGMSSA-N 408.484 1.026 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C 1722535165 ANXHAQWQYPOUGL-MRXNPFEDSA-N 414.514 1.463 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1722634066 JSTSPPCACISURU-UHFFFAOYSA-N 421.523 1.620 30 10 HDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1nnn(C)n1 1723188532 FWWMYPLPNVORPO-UHFFFAOYSA-N 406.498 1.167 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1730893687 GZUBFWUVXOMMLO-KRWDZBQOSA-N 411.466 1.823 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1740548502 GWAPQZMDMATBGF-APWZRJJASA-N 403.490 1.980 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1740580794 IPBOCASSIHCPQG-GFCCVEGCSA-N 413.935 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC2(C1)OCCO2 1740629254 HFFGMTCWHAYFLF-QGZVFWFLSA-N 420.473 1.541 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](F)COC 1740638019 GHCXICYTHSFJTA-HNNXBMFYSA-N 408.437 1.249 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=C)Br 1740685671 JWMDTCMUIYSAQM-ZDUSSCGKSA-N 417.329 1.175 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(O)CCOCC2)CC1 1740693007 SESPJJXLRKOVJO-UHFFFAOYSA-N 415.925 1.895 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740719232 IOAJFDXAWQBKSH-KRWDZBQOSA-N 411.535 1.186 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740792676 KWAPHGZMGNBFFU-DAWZGUTISA-N 418.542 1.705 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)CC1 1740839997 RHHZILRBVUTCBX-MRXNPFEDSA-N 409.556 1.497 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1740962288 YDWLZYMIPOHNON-UHFFFAOYSA-N 416.457 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCOC1 1740989023 XUGJWRQMGAOYLD-KRWDZBQOSA-N 415.519 1.890 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCOCC2)CCOC1 1746674780 HXXTVHLMOVZLGS-FQEVSTJZSA-N 405.499 1.212 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)C2)C1 1748048088 HGQTYFVALYZJHA-LJQANCHMSA-N 418.448 1.641 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1748764299 KENLYZVZSZWACG-GOSISDBHSA-N 401.511 1.618 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCN(CC)CC1 1748793577 MBWUOWYONJWTKL-IBGZPJMESA-N 420.565 1.612 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1 1748826056 LKCHPYXHUPPACS-CQSZACIVSA-N 405.911 1.663 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1748929823 QDKZTJIGSCMCRL-MRXNPFEDSA-N 423.564 1.489 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2CCN(C(C)=O)CC2)CC1 1748994307 YIOAYNBLVAQWQT-UHFFFAOYSA-N 421.549 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCO2)CC1 1749019018 IITUCCCZUFEIIE-ZWKOTPCHSA-N 401.511 1.665 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCOC2)C1 1749373787 UTMHXWNLXNFLKR-OAQYLSRUSA-N 403.527 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749671025 XZQWEMHPMNFRLB-MSOLQXFVSA-N 402.543 1.396 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1ccncc1Cl 1749832260 BIERPJAMWSUXJS-UHFFFAOYSA-N 417.901 1.864 30 10 HDEE C[C@@H]1CCCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1752172355 COAIZMIOPWIALI-KZNAEPCWSA-N 415.542 1.470 30 10 HDEE C=C[C@@](C)(O)CC(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759934893 BPSGSVBKRNLZEW-LHQQFIGISA-N 402.535 1.967 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1760183184 OULBCSAPIVWPNB-WBVHZDCISA-N 421.567 1.477 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760193094 SUWCVXPDQWSOQC-IXDOHACOSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCc2ccccc21 1760208040 GMJFPHWOKIJYSB-PTLVVNQVSA-N 420.513 1.909 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1760236050 HEFNJDXSSRUJAB-UHFFFAOYSA-N 409.943 1.873 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 1760252043 LLHOKMVPGRHTQW-FQEVSTJZSA-N 423.565 1.474 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCSC2)CC1 1760255486 JJJADPTVBULMKY-NRFANRHFSA-N 408.531 1.440 30 10 HDEE CC(=O)N1CCN(CCn2c(C)nnc2N2CC=C(c3ccc(C#N)cc3)CC2)CC1 1760620693 HASLAOXNCSPKCA-UHFFFAOYSA-N 419.533 1.916 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1761361115 AVDKURVVKXAZGK-RDJZCZTQSA-N 417.539 1.284 30 10 HDEE CCC1(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1762516487 IZPMODFALDGZMJ-IRXDYDNUSA-N 407.515 1.938 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1765340985 FXZLASQVCBEWLW-IDOMTICXSA-N 406.494 1.789 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1766870435 BQUVLMINIVRROO-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C)n(C)c1=O 1771281263 BVEBHIMTKWGOMV-WBAXXEDZSA-N 414.510 1.653 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCC2CC2)C1 1771529769 UOCVCXNKJXFWPN-MAUKXSAKSA-N 411.503 1.439 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CC1 1771539941 PANUHUSWGVUDNQ-IAGOWNOFSA-N 423.539 1.116 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(F)ccc(F)c2C1 1772566665 SQWIGDPNZAHFEO-INIZCTEOSA-N 416.432 1.372 30 10 HDEE N#Cc1ccc(N2C[C@H](OCC(=O)N3CCN(c4ccccc4F)CC3)CO2)nc1 1851214689 HUHUHSIBLUPKSM-KRWDZBQOSA-N 411.437 1.578 30 10 HDEE COCc1cc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n(C)c1 1851504180 BGTNIOCPNHNXKO-FQEVSTJZSA-N 413.474 1.980 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1=O 1852983851 AAPQYYUWYHDNLE-UHFFFAOYSA-N 411.389 1.482 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2[nH]ncc2C#N)CC1 1853031965 FQNJAMUOUNFPEU-KRWDZBQOSA-N 408.462 1.243 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](F)CC(F)(F)F)C(=O)C2)cc1 1854038645 TXZBYPODHUQPON-LBPRGKRZSA-N 407.345 1.208 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2c(OC)nc(C)c(C)c2C)C1=O)[C@@H]1CCN(C)C1=O 1854158093 JTUZIXLYIPPVKE-SJORKVTESA-N 414.506 1.475 30 10 HDEE Cc1ncccc1C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1855021091 ZNNPPBFXBDJBTD-LJQANCHMSA-N 405.458 1.941 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1C[C@H](OC(=O)c2cccc(C#N)c2)CO1 1855182430 NTYGGPHNIOHILP-HNNXBMFYSA-N 406.391 1.867 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)CC1=O 1855662334 VKOWIBPLJFFFSQ-SFHVURJKSA-N 405.520 1.228 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855807246 RSIDJBDJEQHGRQ-RDTXWAMCSA-N 409.467 1.646 30 10 HDEE CN1C[C@@H](CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)CC1=O 1856321478 VRUJYIMNZFROAO-MAUKXSAKSA-N 409.490 1.132 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2conc2C2CC2)C1)[C@H]1CCN(C)C1=O 1857074467 JUBSHQLWPJMWHE-PBHICJAKSA-N 400.479 1.650 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(Cc3ccccc3)C[C@]23CCOC3)CCC1=O 1857195901 KQHOISLKGYLZNE-OFNKIYASSA-N 410.518 1.642 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cn2ccc3ccccc32)C1)[C@@H]1CCN(C)C1=O 1857274638 QAUCKEADZDHOGL-FXAWDEMLSA-N 408.502 1.735 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@H]1CCN(C)C1=O 1857274822 SVFFBRMBYDHDRQ-YOEHRIQHSA-N 417.531 1.528 30 10 HDEE CN(CCN1CCCCC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1857325876 AEMYVVLPHAHFCT-UHFFFAOYSA-N 404.492 1.122 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871541310 BMUWVTWEQMOCNH-AWEZNQCLSA-N 400.483 1.447 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2O)cc1 1874350112 UYZDKUWHIYAIEN-UFFVCSGVSA-N 413.459 1.748 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccncc1 1874470672 LZNIAERPZKQUDZ-VXLYETTFSA-N 403.493 1.932 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714167 RSMLCOYNNQTLOH-SCZZXKLOSA-N 404.514 1.252 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)COc3ccccc3Cl)CC2)CC1 1889406829 KHAINQUJUWRXMO-UHFFFAOYSA-N 419.953 1.977 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1890847046 GJGYQFBKFBSWKV-SJLPKXTDSA-N 407.511 1.535 30 10 HDEE COc1ccc2c(CC(=O)N(C)C3CN(c4nccnc4C#N)C3)cc(=O)oc2c1 1892054523 NHMZWXOVLZFZDV-UHFFFAOYSA-N 405.414 1.353 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCn1ncc(Br)n1 2060557531 MXFQAAPZFJQGTB-NSHDSACASA-N 415.292 1.744 30 10 HDEE N#Cc1cncc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074675647 BLMBHYFESJMYOF-INIZCTEOSA-N 403.416 1.248 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118154944 PNCJLIKHLMFIJV-CANCMXDXSA-N 408.546 1.574 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C[C@@H]3CC[C@H](F)C3)s2)OC1(C)C 2150390758 YAVZBUISEBOJOK-NEPJUHHUSA-N 404.338 2.000 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H](C)[C@@H]1NC(=O)OC(C)(C)C 2174779878 NYMIHECUDVZKPW-FOLVSLTJSA-N 400.545 1.948 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC2(C#N)CCN(C)CC2)C1 2181146692 HIFWAYXXHDVXCF-RXVVDRJESA-N 414.506 1.907 30 10 HDEE CC1(C)OB(c2c(F)cccc2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247899533 NWPBZMFENQPDPP-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2267379210 WPVKVCWUWNBFBE-UHFFFAOYSA-N 409.313 1.417 30 10 HDEE CCN(CC(N)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267706998 JLCSRGAZEJERQU-UHFFFAOYSA-N 408.738 1.197 30 10 HDEE CCn1cc(C(=O)NC2CCC3(CC2)OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282039365 UJOFKEKXWIMVMU-UHFFFAOYSA-N 405.304 1.618 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@]2(C)CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282314760 DWZJJHKRZSAVIL-QGZVFWFLSA-N 400.375 1.634 30 10 HDEE C[C@@H](CN1CCCC1)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330854 GMERYXVIACIEKG-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332126 WPIPTYUKCMNGFV-TZMCWYRMSA-N 401.359 1.971 30 10 HDEE CN(C)C[C@H]1CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497199 MWTXBRCEPUAYAW-CQSZACIVSA-N 400.375 1.513 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282499693 FGTFZVRRVTWZRW-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCC2(N)CC2)OC1(C)C 2282505928 LCZNMBMVHLYRLS-UHFFFAOYSA-N 401.363 1.133 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282507377 GSDYLFNPNPPDIZ-UHFFFAOYSA-N 400.737 1.823 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@@H]2C2(C)OCCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2282598461 LLCFXGSAQBACMX-OAHLLOKOSA-N 405.304 1.477 30 10 HDEE C[C@@H]1CO[C@@H](CO)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282640779 RSFBWYWWBBVUHY-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3C[C@@](N)(C(=O)O)C3)c2Cl)OC1(C)C 2282644950 GNQYWOMSBPMLSE-YJVHSWMSSA-N 400.693 1.375 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCCN(C)C 2282830181 PZFFKVOXLAMWAA-UHFFFAOYSA-N 402.391 1.928 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839958 KMIDWLYXZCSSKX-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC4(C3)CS(=N)(=O)C4)s2)OC1(C)C 2282852850 UZUCHMUSCSYVHF-UHFFFAOYSA-N 418.371 1.098 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCc3nncs3)s2)OC1(C)C 2282858914 FLPXTWPPZQQWJW-UHFFFAOYSA-N 415.371 1.810 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282871676 KOGMFTVKFJQSRC-RUZDIDTESA-N 402.347 1.390 30 10 HDEE CC(C)(O)[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284384915 LTRHJNXBSIKDQX-LLVKDONJSA-N 403.693 1.655 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H]3CCC(=O)O)s2)OC1(C)C 2284395561 MTXVDSMMGGPUOB-NSHDSACASA-N 401.315 1.675 30 10 HDEE Cc1cc(S(=O)(=O)NS(=O)(=O)C(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2284398995 DZJLUDHZDGIPSU-UHFFFAOYSA-N 403.331 1.311 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C(=O)O 2284401082 DMIPBWSIHAPMJO-GXFFZTMASA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284423695 WGZGSMHGEUBSMY-WCBMZHEXSA-N 401.677 1.361 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CC1 2319424241 ACACRWKKMRYYGK-UHFFFAOYSA-N 405.472 1.300 30 10 HDEE Cc1csc(C#C[C@@H](O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2338397014 LFMXPJKFNDSOMV-ZIAGYGMSSA-N 400.522 1.588 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365206620 ZTLPUAPANOLKCF-ZEKKIGMLSA-N 400.541 1.147 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](Cc1cncs1)NC(=O)OC(C)(C)C 2365210563 KRPGNHAAMMBRCA-LSDHHAIUSA-N 415.581 1.994 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)COCC1(C)C 2367789555 RUFSVANQQCMTPA-CABCVRRESA-N 400.541 1.699 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2C1=O 17125617 VSIGJEIVWUNYPX-UHFFFAOYSA-N 413.455 1.089 30 10 HDEE CC(C)CN(C(=O)CO/N=C(\N)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 29465504 HGRRESFQSDGOCB-HNNXBMFYSA-N 401.916 1.649 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(CC(C)C)c(=O)c3ccccc23)CC1 53309447 JXFMFBGRDSFFCP-UHFFFAOYSA-N 411.506 1.113 30 10 HDEE NS(=O)(=O)c1ccc(N=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)cc1 254525985 YXFKDCJDMPTURU-UHFFFAOYSA-N 405.457 1.992 30 10 HDEE CCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 446636232 FHAAULYHEIPODM-AQFXKWCLSA-N 406.508 1.862 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)nc3)CC2)s1 462585747 ZNRRECMEGMXJCY-UHFFFAOYSA-N 407.477 1.097 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2cn(C)c(=O)n(C)c2=O)cc1C 464050546 RXPNAUDYRACNCC-UHFFFAOYSA-N 406.446 1.730 30 10 HDEE COCc1nc2n(n1)C[C@H](N[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)CC2 466295667 FLFQQNBVTIGZOT-JKSUJKDBSA-N 412.494 1.673 30 10 HDEE C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466768179 VTLWPBHYJXTPTN-CRAIPNDOSA-N 417.535 1.057 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)c1C#N 472114107 AOFAWYQHNYLLSS-GOSISDBHSA-N 407.478 1.237 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 480448446 WKRWTNWXWRTMDX-STQMWFEESA-N 401.444 1.831 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1 481759337 WDTLOPXCNNMGMX-BHYGNILZSA-N 423.560 1.738 30 10 HDEE COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cccc(OCc2ccccc2C#N)c1 483337543 GGOCHDKJWJJRTH-HXUWFJFHSA-N 414.483 1.909 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 485050425 DHSXCPKJMJFCAE-NRFANRHFSA-N 424.461 1.182 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1S(N)(=O)=O 489244642 CFRWGHCKCHYHMW-QGZVFWFLSA-N 412.471 1.045 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN([C@@H]4CCCC[C@@H]4O)CC3)cc2C1=O 491866258 OKJRIXRCDSESTH-UXHICEINSA-N 411.502 1.966 30 10 HDEE CCN(CCC#N)C(=O)CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 497512838 WHBGWQKQNMMIDH-UHFFFAOYSA-N 404.511 1.592 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(Cc2nccn2C)CC1 500213032 RJOHIJQCDJDLMW-GOSISDBHSA-N 410.522 1.882 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CC1 505023632 IPUYPTGUTZPWRE-UHFFFAOYSA-N 424.910 1.971 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C)c1=O 522110185 ZEZYEBXXYGYHCQ-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE CC(C)Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1 531775760 PMURWKMBRMXFNU-UHFFFAOYSA-N 423.538 1.466 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C1CC1 532820334 QDOCMOOYIMEZFR-UZLBHIALSA-N 412.490 1.121 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)C1=O 541274632 ORSMWEQALFTPLG-GFCCVEGCSA-N 405.279 1.661 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 543869942 JVFFBKIEGSAFMZ-UHFFFAOYSA-N 412.793 1.313 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)c(F)c1 585722133 RZPSLUUWIXNIHU-FQEVSTJZSA-N 410.449 1.503 30 10 HDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 586871204 FGYPUKYKQKIMEP-UHFFFAOYSA-N 415.513 1.583 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 590913996 JJIMHFQPVYVUGP-HNNXBMFYSA-N 415.490 1.257 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 617057331 JJPXSDNJILIRHK-LJQANCHMSA-N 420.473 1.004 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)n1nnc(-c2ccccc2)n1 732153157 GCPPLJBKRVZNKJ-FDCFBWIESA-N 409.450 1.180 30 10 HDEE COc1ccc(C(=O)CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732156197 LDSWVUPHQREQOQ-FMQUCBEESA-N 401.419 1.309 30 10 HDEE CCCCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732495110 QPLSPTSKIUVIEF-HKUYNNGSSA-N 410.474 1.477 30 10 HDEE Cc1cc(C)n(Cc2ccc(C(=O)[C@@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)n1 732909460 ANRHPPOGODVJCU-GOSISDBHSA-N 414.487 1.128 30 10 HDEE COc1ccccc1[C@]1(C)C[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 741712626 WTGBJPYPGWSCQS-NQIIRXRSSA-N 413.499 1.970 30 10 HDEE CN(CCC#N)C(=O)C[C@@]1(C(=O)N(C)CCC#N)CCN(C(=O)OC(C)(C)C)C1 742247096 OOAUQRXBHXBQLB-FQEVSTJZSA-N 405.499 1.748 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)OC(=O)C1(C#N)CCC1 745061982 BVHFFOUREBBFJL-GFCCVEGCSA-N 409.464 1.510 30 10 HDEE CCOc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCOC)c1=O 748066100 QLCOKDRVLYCXDQ-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccn2)CC1 756893626 WLUDZLVIQUEUGA-IAGOWNOFSA-N 414.510 1.322 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(c3nc(C(=O)OCC)cs3)CC2)CC1 759904934 CFBORFAJBHVNHY-UHFFFAOYSA-N 404.536 1.277 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1c1noc(C2CC2)n1)c1cc[nH]n1 772277421 AWTDMYSMKJNFRD-AWEZNQCLSA-N 416.438 1.708 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 777366330 UIOJWBXWOFMKQY-UHFFFAOYSA-N 415.512 1.542 30 10 HDEE C#CCN(C(=O)NCc1ccc(Br)cc1OC)[C@@H]1CCS(=O)(=O)C1 779660418 IZNNHJRZFYBFGB-CQSZACIVSA-N 415.309 1.790 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 781915323 ZBJKFKROPSYHCI-VQIMIIECSA-N 421.567 1.401 30 10 HDEE COc1ccc([C@@H](C#N)N2CCN(C(=O)CSCCSCCO)CC2)cc1 783588057 JFPWZFAHIMBLDR-GOSISDBHSA-N 409.577 1.863 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)n1 789324625 QITNMIITMVVPMF-IEBWSBKVSA-N 412.490 1.309 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccnc2F)C1=O 794440990 KSAHHVKTOWXVEN-CQSZACIVSA-N 415.450 1.587 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)c2ccc(C#N)c(O)c2)cc1 805233531 XOOCSOGBVYASCK-ZDUSSCGKSA-N 411.414 1.824 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 809909817 KSQWBESSJCRIFJ-AWEZNQCLSA-N 411.528 1.341 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)cc1 812751773 JPTDDRFAAGDVCH-GOSISDBHSA-N 403.435 1.553 30 10 HDEE Cn1c(=O)sc2cc(C=NNc3ccc(S(=O)(=O)NC4CC4)cn3)ccc21 814799399 FQVIWSNZSZWNOR-UHFFFAOYSA-N 403.489 1.882 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@H](c2cnn(C)c2)C1 849578423 MCPUTMQEHNGCGJ-SFTDATJTSA-N 421.549 1.849 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)c1nc(-c2cn(C)nn2)no1 904809824 MFEDRDVPQRZRIJ-GFCCVEGCSA-N 401.452 1.835 30 10 HDEE C#CCOc1ccc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OC)cc1 941840145 XSUREIDCDNPQCA-WQNFENHCSA-N 410.470 1.078 30 10 HDEE N#C[C@@]12CN(C(=O)c3nc(Br)c4ccccn34)C[C@H]1CS(=O)(=O)C2 1134279611 PPDCAGXUJFEUPK-BONVTDFDSA-N 409.265 1.107 30 10 HDEE Cc1nc(CN2CCN(C(=O)COc3cccc(Br)c3C#N)CC2)no1 1136630854 AJWQVMRMCZUQCE-UHFFFAOYSA-N 420.267 1.735 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(C(F)(F)F)cn1 1141149135 CCCRPPSSJNGXPV-UHFFFAOYSA-N 413.381 1.240 30 10 HDEE CC(C)N1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1153801946 CWYDKFWKJPFWPP-LJQANCHMSA-N 418.563 1.948 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3ccccc3)C(=O)NC)ccc2c1=O 1161150824 UORYMNMNDAMYNG-SFHVURJKSA-N 422.510 1.958 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCOC3(CCOCC3)C2)s1 1162402146 VMQXVFRLKWSMPJ-AWEZNQCLSA-N 414.549 1.599 30 10 HDEE C#CCO[C@H](C)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175426575 IJOUEFPZIWHOHX-FPCVCCKLSA-N 407.467 1.066 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc2n1CCC2 1177740239 DUXLPVZNDQLSCB-MRXNPFEDSA-N 415.519 1.599 30 10 HDEE Cc1c(Br)cccc1C[C@H](CO)CNc1[nH]c(=O)n(C)c(=O)c1C#N 1186450649 BJPGSGMQRMEPAM-NSHDSACASA-N 407.268 1.279 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196689807 ACSJPGZKJFGMRS-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1(C#N)CCCCC1 1279633077 UMCMTNKJOKLADC-UHFFFAOYSA-N 421.519 1.920 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1286296484 PJYKGMYNFFRJJD-GXTWGEPZSA-N 417.482 1.114 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1286298673 NIHOIWWAUDYKJB-DZIWXPPMSA-N 406.552 1.843 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1286428346 CZSNTBJCAMXKPF-IEBWSBKVSA-N 421.505 1.093 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccsc1 1286468746 IJAPNFQMPBYJBZ-FQEVSTJZSA-N 417.535 1.456 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286630496 XZTXFVWISBEETO-QGZVFWFLSA-N 422.961 1.669 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(OC)nc2)CC1 1286646723 VJOOAJCNJZKDLK-INIZCTEOSA-N 403.508 1.789 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC=C(C)CC2)nnc1[C@@]1(OCC)CCOC1 1286825035 LATOFZHWVVDQTR-LJQANCHMSA-N 410.540 1.687 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286831295 XOXMZIDSGFYCCV-MRXNPFEDSA-N 420.583 1.843 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 1290434485 FKIVDMZDEHPXIG-UHFFFAOYSA-N 419.272 1.734 30 10 HDEE N#C[C@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1290676341 QYKDMFKAHVDVNB-HNNXBMFYSA-N 424.276 1.856 30 10 HDEE CN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cccc(C#N)c1 1292032119 YAFAQKKZFSPGCH-MRXNPFEDSA-N 407.492 1.945 30 10 HDEE COc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)ccc1C#N 1297523368 BWIJBFCYZNNPAB-HKUYNNGSSA-N 411.433 1.527 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnccn2)C1=O 1298872474 SDIHNBARHNHYNR-NRFANRHFSA-N 402.462 1.721 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300282434 OTQNVYFLFMHNCL-SJLPKXTDSA-N 406.490 1.770 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@](C)(O)CCOC)c1 1300332729 MDWNMPORTYBZCO-QFIPXVFZSA-N 411.506 1.999 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1300392529 AFUXKNVAYSZLFW-LJQANCHMSA-N 417.487 1.289 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300400059 STDWPDDTFKWCLQ-INIZCTEOSA-N 416.503 1.753 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1300401186 PKKXMSUWUYDVAH-UHFFFAOYSA-N 404.540 1.605 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(Cl)c1 1300509154 GRUBYUPLTUOTAU-ZDUSSCGKSA-N 423.901 1.802 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1300509517 NYMBKBYHIPRLGP-MRXNPFEDSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC1CC1 1300561971 WQSZCDPTXRYOOZ-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCc3cccnc32)CC1 1300681661 XQHVMQAYTYDYDJ-LJQANCHMSA-N 421.549 1.687 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NC(C)C)CC1 1300689192 SBWGQLIZNFFEKM-UHFFFAOYSA-N 411.466 1.133 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOC(C)C)CC1 1300697513 DKEMHQZBVWDSDB-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1300983990 UVKMUMPXCBIOOL-HNNXBMFYSA-N 408.528 1.336 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301084143 SBYONJJVPAHLKZ-NXHRZFHOSA-N 419.457 1.563 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1)C1CC1 1301314630 YMCGCFUJXWKOPC-NSHDSACASA-N 411.557 1.446 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCOCC1 1301396691 ANIMPHYRDLFNAQ-UHFFFAOYSA-N 417.535 1.990 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1301467486 VQIWFBZPWFOSMR-UHFFFAOYSA-N 412.454 1.216 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301473968 PFPINPIKWRTGSX-PXNSSMCTSA-N 402.499 1.607 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301568027 BTAYWIJBUCITLL-OAHLLOKOSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCCCO1 1301588806 JPBXGKWZVWQYKB-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1303514340 MEWSJTVNYZHOOW-OAHLLOKOSA-N 412.483 1.801 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1305934317 AWSQFPUSPIVNGD-SFHVURJKSA-N 406.487 1.499 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1307775030 HRJMWQFMWOPOAD-QUCCMNQESA-N 419.547 1.683 30 10 HDEE C=CCOCCCNS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1309688283 HEEQOLTVCPGJBF-UHFFFAOYSA-N 418.313 1.511 30 10 HDEE C=CCCc1ccccc1NC(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1310624894 QQDBFVSTMMZSLS-UHFFFAOYSA-N 414.553 1.927 30 10 HDEE C=CCOc1ccccc1C(=O)NC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1338565037 PBQDGKSWPVCMLS-JBFYLRDPSA-N 400.475 1.224 30 10 HDEE CCC[C@H](NC(=O)Cc1ccccc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1351735230 HJFYUHBHBCZPNY-KRWDZBQOSA-N 410.478 1.584 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2cnn(C)n2)cc1 1354942235 HYZKOWMIOYEDFF-NKFKGCMQSA-N 418.523 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1358876143 CVHSKRIFCFMLKV-HOTGVXAUSA-N 419.551 1.936 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)OCCc2sccc21 1358949109 SPDWXXVHERPIHF-LIRRHRJNSA-N 420.560 1.799 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCC(C)C)CC1 1359028344 OTKLTSPEHDFCBS-QFIPXVFZSA-N 416.570 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1359333415 XDZUZRAXIKISIS-AWEZNQCLSA-N 413.544 1.545 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1c1cccc(C)c1 1439615865 OIMLXIOUVSEIMY-DIJFTKHXSA-N 415.515 1.301 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3cc(Br)ccc3F)C[C@H]1CS(=O)(=O)C2 1439616164 QDXYSJRFPCCQKK-LRDDRELGSA-N 415.284 1.918 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(-c3cccc(Cl)c3)cc2O)CC1 1443359139 WXHUQHQTDHUMJL-UHFFFAOYSA-N 415.881 1.129 30 10 HDEE C#CCN(C(=O)c1c2ccc(Br)cc2nn1C)[C@@H]1CCS(=O)(=O)C1 1456089272 ZVLYLUBEWYUMAD-GFCCVEGCSA-N 410.293 1.598 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC)[C@@H](COC)C(=O)OCC)cc2C1=O 1458964153 LQGQOPQAPWLIFP-KRWDZBQOSA-N 402.447 1.899 30 10 HDEE N#Cc1ccc(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(C2CC2)c1 1463036411 FESMGYCTUXSSHB-AWEZNQCLSA-N 400.460 1.540 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1464963892 PBYVWNMAIJHVDN-ZFWWWQNUSA-N 419.279 1.211 30 10 HDEE N#Cc1ncn(CC(=O)N2CC[C@@H](Cc3cccc(I)c3)C2)n1 1468278937 BZMHLPYYEYQNQH-ZDUSSCGKSA-N 421.242 1.846 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)c1 1468956780 XHAFTILJUJLIFH-QFIPXVFZSA-N 424.478 1.848 30 10 HDEE C#C[C@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCCO1 1469867016 AUKHBBUYMNIYAY-HOTGVXAUSA-N 404.471 1.050 30 10 HDEE C#CC1(F)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)C1 1471608849 MUUQXTMGSOCPQI-ZDUSSCGKSA-N 400.497 1.471 30 10 HDEE COC1(OC)CC(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1472421987 RKHGMCJIZXWVOF-INIZCTEOSA-N 423.535 1.655 30 10 HDEE CC(C)c1ccc([C@H](NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)C(C)C)cc1 1473059200 LZNJZVYRKWQGBQ-HXUWFJFHSA-N 412.490 1.511 30 10 HDEE N#Cc1nn(CC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)cc1[N+](=O)[O-] 1473064892 OZFKHPMTQSSGGC-CYBMUJFWSA-N 405.367 1.146 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)nn1 1478417849 LKRMABNYIVSJAI-UHFFFAOYSA-N 404.434 1.519 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CCN2C1=O 1478900597 CEPOIVWTEUFPHV-LJQANCHMSA-N 424.505 1.201 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1493170198 RJKVOYISMPKDGY-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1497912291 HDAOESKOYAIBOQ-OAQYLSRUSA-N 412.469 1.808 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503491315 ONKBVYSVBSMSGT-UDJKBAMHSA-N 423.477 1.340 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507517430 HJTFCTFLQSFMAN-YCRPNKLZSA-N 412.494 1.790 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2(F)CCC2)CC1 1507738686 VOHXVAPAVVOVNV-UHFFFAOYSA-N 411.485 1.983 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C(N)=O)c1 1507749906 BBPHINBVNSOLBE-UHFFFAOYSA-N 407.503 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1507768777 WQAABWDSSGQFBI-VGOFRKELSA-N 406.490 1.629 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)OC 1507821352 ZGONPIUUQVLNPV-LSDHHAIUSA-N 401.533 1.048 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOCC)CC1 1507855155 UKXWZLACEOOJKN-UHFFFAOYSA-N 419.917 1.836 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)CC1 1507874675 VHPLUOXGGDUWPI-UHFFFAOYSA-N 400.405 1.349 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507935143 LGNKPIHAKSJUEJ-ROUUACIJSA-N 402.543 1.744 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)CC1 1507962588 ULTHGRLUHUBNKS-UHFFFAOYSA-N 416.482 1.267 30 10 HDEE CCOCc1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516545462 YAKUCYOPFFYUFX-IVFAQJDTSA-N 413.482 1.471 30 10 HDEE Cc1cnc2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)nn2c1 1525818694 CECXPDPGWRROEH-HZHRSRAPSA-N 413.463 1.498 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCc1ccc(CC#N)cc1)c1ccc(S(C)(=O)=O)cc1 1529869976 GIHVEFFKJBXIHU-NRFANRHFSA-N 413.499 1.824 30 10 HDEE N#Cc1ccc2nc(NC(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)[nH]c2c1 1534067780 HHZAGZAFRUYVNK-UHFFFAOYSA-N 400.398 1.445 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1534519680 LZQGLFVJVIGKQA-HZPDHXFCSA-N 408.499 1.470 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCCS(=O)(=O)C1 1534772674 RLHCPELPNNUSRD-HUUCEWRRSA-N 401.529 1.905 30 10 HDEE CC[C@@H](C#N)N(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1537622640 BUFRXWQYGOUGGA-ZDUSSCGKSA-N 418.475 1.335 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@H]2NC(=O)CC2(C)C)c1 1539043258 OLFOKNNXQGARGS-QGZVFWFLSA-N 408.506 1.811 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1 1539383965 QNLVQGBVUNTVDH-HKUYNNGSSA-N 403.527 1.864 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1539453953 DSMMDDBJFKKJLX-KRWDZBQOSA-N 419.576 1.120 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1539490722 ZXJZHLHRENGTSR-AQOAWAETSA-N 417.554 1.893 30 10 HDEE CN1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1539576617 YFOFVDPCEYVNTQ-BQIYRTECSA-N 405.543 1.137 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540034028 UGNVSWKSSWTHCP-DLBZAZTESA-N 413.526 1.939 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1540037386 JSWBDJNKGWUXGF-LJQANCHMSA-N 418.586 1.812 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2ccccc2)C1 1540868371 CDBJDLWNAOLEOK-GOSISDBHSA-N 407.478 1.559 30 10 HDEE CC(C)(C)[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1541167598 IXMHFIPTXHZNPD-QBHGPPCGSA-N 414.510 1.933 30 10 HDEE C[C@H](C#N)CN(C)C(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1542216690 ABLABGGGLHDPJX-VLIAUNLRSA-N 411.499 1.952 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1545152607 MNCROLRHDPLAJQ-UHFFFAOYSA-N 404.492 1.552 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1545704375 XUCGHMFRXUZJGA-GOEBONIOSA-N 402.524 1.964 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1547311751 HHPHBDGLMOFPGC-MAUKXSAKSA-N 412.494 1.535 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccc(OCC)cc1)C(=O)OC 1556375392 IKTXICQDGBPKGM-IAGOWNOFSA-N 422.503 1.461 30 10 HDEE C=CCONC(=O)c1cc(Br)cc(S(=O)(=O)N2CCOCC2)c1F 1556633376 CFKIAGXYOBKNKH-UHFFFAOYSA-N 423.260 1.457 30 10 HDEE C#CCC1(O)CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1558102867 NSWNEMMPSYDQAL-QGZVFWFLSA-N 409.527 1.419 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1558329017 JAIFUZRTQWBJOE-NVXWUHKLSA-N 402.882 1.759 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1558330321 ZSOXMHDZGADHNH-HOTGVXAUSA-N 415.490 1.279 30 10 HDEE C#CCN(C(=O)C1=C(C)N(C)c2nnnn2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370197 JXSOFWYFMPFQEX-UHFFFAOYSA-N 415.498 1.258 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(S[C@H]4CCOC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1558510941 IMARYIFEUILMDC-YEWWUXTCSA-N 406.485 1.105 30 10 HDEE NC(=O)C12CCC(CC1)N2C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558627006 LDANIMWHVZZWRQ-UHFFFAOYSA-N 418.519 1.294 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(CS(C)(=O)=O)cc1)C(=O)OCC 1561828274 JACAVFJMTQAONF-CQSZACIVSA-N 409.913 1.584 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCc2ncc(Br)n2C1 1562012782 FSQYJXAAOVNULN-NSHDSACASA-N 411.281 1.819 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 1564689081 CPVOKBIPMYSTQI-QGZVFWFLSA-N 411.462 1.333 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1583214047 PXGDJMDFJOCECA-HUUCEWRRSA-N 403.545 1.776 30 10 HDEE Cc1ccc(C(=O)NCCN2CCC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 1585224452 KFCUEBGKCWBPIR-UHFFFAOYSA-N 416.327 1.473 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c([N+](=O)[O-])c1 1586184946 NKQYNBDNVXLDGS-UHFFFAOYSA-N 420.472 1.894 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1586824675 VUVQRAGCWRLPED-UHFFFAOYSA-N 416.341 1.400 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1587305431 NJEOQYFFRNPJKA-DLBZAZTESA-N 414.462 1.160 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587865819 XWWZIOQVJBBPQW-UHFFFAOYSA-N 405.499 1.503 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NCC(F)F 1587944828 DACLKYMUSVHEAY-UHFFFAOYSA-N 407.421 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1conc1COC 1588186213 UZRLOTCTEKFUSA-OAQYLSRUSA-N 413.478 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N(C)CC 1588254508 XSLSKHUMCFYWFE-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CC)CC1 1588751550 LYECGZRPPSEFRJ-UGKGYDQZSA-N 416.570 1.170 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@@H]1OC 1589143137 ZAXJPPURRIRSSG-PNLZDCPESA-N 424.505 1.969 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1)C1CC1 1595020201 AKWGUXKHFNSYGN-GJZGRUSLSA-N 408.572 1.527 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595523637 ZPZSLCFZHUGYRF-OAHLLOKOSA-N 408.466 1.718 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CC2)C1 1595714916 QNPJIGWPVROQKG-AWEZNQCLSA-N 404.496 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](CCC)C1 1595788978 MGSZSIKCAHSQCY-INIZCTEOSA-N 408.528 1.285 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCOc2ccc3c(c2)OCO3)c1 1596039441 PNZHZKJXHLEQQM-UHFFFAOYSA-N 406.391 1.660 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](CO)CCc3ccccc3)C2=O)cc1 1596493035 OTQCSOPRGHEXFJ-AZUAARDMSA-N 420.469 1.873 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1617184659 HSIKWICKNQGSBU-PKOBYXMFSA-N 404.536 1.329 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCc1cnn(C)n1 1619980458 JVGDJDOQVOINLR-HNNXBMFYSA-N 402.503 1.503 30 10 HDEE N#C[C@@]12CN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1620610910 GKQSSQKDVBXZAF-WFASDCNBSA-N 412.397 1.051 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)CC1 1623913841 QZYAZWGCUVFEMR-CQSZACIVSA-N 410.462 1.292 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268472 JTIMWLXUFQUGTF-INIZCTEOSA-N 417.466 1.058 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 1629301448 HUJMTFTUCRPQBD-XUWXXGDYSA-N 419.576 1.994 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CC1 1629537326 WIMPPWMLYGLBMM-HDICACEKSA-N 419.547 1.266 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)c1 1631208966 RUWGJHQIUWGEPX-SJLPKXTDSA-N 420.531 1.487 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@]2(C)Oc3ccccc3NC2=O)C1 1632533167 OHTPHQFUZBYYNJ-TVSHIAKJSA-N 400.435 1.651 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCN(C)c1ccccn1 1633065535 VUGNWCJORJWWDF-OAHLLOKOSA-N 401.492 1.263 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)nc1=N 1633669095 CDGDAUOOVGKDPY-UONOGXRCSA-N 405.503 1.868 30 10 HDEE C=CCN(C(=O)c1cn(C(F)(F)CO)nn1)[C@H](Cc1ccccc1)C(=O)OCC 1634103858 JYIANVGSQKWFAX-MRXNPFEDSA-N 408.405 1.622 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1 1635186473 AEDFPDAZLMLXEA-UHFFFAOYSA-N 403.460 1.603 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)cc4nc[nH]c34)C[C@H]1CS(=O)(=O)C2 1635697122 ISQGVEFRCHMPRS-VFZGTOFNSA-N 409.265 1.336 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1635971640 SBFSEUSVMBQRJQ-KGLIPLIRSA-N 408.398 1.713 30 10 HDEE N#C[C@@H](CO)NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 1636605424 SUGARQRPHVAKKO-HNNXBMFYSA-N 409.471 1.939 30 10 HDEE C=CCN(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)[C@H](C)COC 1638897083 FKVBEFLQIDSDAK-GBRKPNRJSA-N 402.513 1.118 30 10 HDEE Cc1ccc(C(=O)NCC(=O)c2cc(F)cc(F)c2)cc1S(=O)(=O)NCC#N 1639226109 OAKXQSCCWRUMQM-UHFFFAOYSA-N 407.398 1.688 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nnc(C(=O)NCC#CCO)c2C(F)F)CC1 1639534530 QFADZNPXWUPGHV-UHFFFAOYSA-N 413.425 1.513 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)C1=O 1639594997 YEDZTLWQSJEYKY-ZWKOTPCHSA-N 403.479 1.563 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)C1=O 1639890447 ONYWIGWNIXOAJP-QVKFZJNVSA-N 424.542 1.962 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCC(F)(F)CC1 1641127196 OFPWJXIILLOQBJ-UHFFFAOYSA-N 415.462 1.562 30 10 HDEE COC(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)(OC)c1ccccc1 1641654609 NKYWJJIOTXKGJY-UHFFFAOYSA-N 417.487 1.754 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1641682572 MESURKSKGWZZDI-ZDUSSCGKSA-N 402.480 1.116 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(CC2CC2)C1 1642367180 GOHKTMLKGFTOLI-QAPCUYQASA-N 404.536 1.463 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 1644284928 DMUHWKOMJFVYIV-HNNXBMFYSA-N 420.318 1.029 30 10 HDEE C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1644470052 PVBNEJMQLIEKKM-MSOLQXFVSA-N 419.547 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]23CCC[C@]2(OCC)OCC3)s1 1648422706 PAKURAVRUPKADH-MSOLQXFVSA-N 414.549 1.947 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1651414491 QYCBSTUABQXDPC-HJWRWDBZSA-N 405.458 1.483 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)c1 1652304112 ONBMWKNBORFITP-UHFFFAOYSA-N 413.565 1.731 30 10 HDEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652520625 AGBCBGMQJHJALY-MDKPJZGXSA-N 417.531 1.536 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H](O)CC1(C#N)CCOCC1 1653802318 AXHIHXNTAQNDPQ-FQEVSTJZSA-N 416.522 1.465 30 10 HDEE COC(=O)[C@@]1(N2CCN(Cc3ccc(Br)cc3C#N)CC2)CCOC1 1655121607 SOCCXNVGQXPNRJ-GOSISDBHSA-N 408.296 1.770 30 10 HDEE Cn1c(=O)[nH]c(NC[C@H](CO)Cc2cc(Br)ccc2F)c(C#N)c1=O 1655483735 FHJUSJFNXCRNFO-SECBINFHSA-N 411.231 1.110 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OCC 1665496780 JBVLKJOOSUIUCA-ZDUSSCGKSA-N 424.928 1.256 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1665498262 YTPKDTBXSHRSHN-AWEZNQCLSA-N 424.928 1.290 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C1CCOCC1 1670502267 JBZTWVIRDYMFIS-AWEZNQCLSA-N 401.868 1.842 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ccc(C(=O)OCC)cn2)CC1)C1CCOCC1 1684032602 YIMVMALHJZGBOM-SFHVURJKSA-N 400.479 1.518 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 1684037338 XBKAGTBKDFRLPQ-GOSISDBHSA-N 406.527 1.361 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1689826804 VACYLVGQAGWCNO-HOTGVXAUSA-N 410.588 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCNC(=O)c1cc[nH]n1 1689863494 VFSPKMKACSWWFL-MRXNPFEDSA-N 407.478 1.777 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@H]1C 1689930038 JRTIQYWTOXVZFG-ZACQAIPSSA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689979941 JNOZYNXFXQCQIQ-NXHRZFHOSA-N 407.584 1.759 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1689985877 DKXDIMRBMGXJFN-SFHVURJKSA-N 417.535 1.784 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC1CCOCC1 1690001975 WMZHKTYUXZIBAD-INIZCTEOSA-N 407.540 1.168 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1690047098 LJEOHLACRMYGQM-RTBURBONSA-N 408.506 1.646 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1ncc(C)s1 1690059550 RZWHOXDQSXZTEQ-GXTWGEPZSA-N 410.569 1.916 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(OC)CCOC2)CC1 1690129257 SJRUSOKCVJLEBQ-FQEVSTJZSA-N 416.551 1.195 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1690173100 WAGZBBRAAZIYJV-OAHLLOKOSA-N 405.524 1.617 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1690311705 RUZZAFDQKBZXAS-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)CC1COC(C)(C)OC1 1690316441 FMIUTNDRLPUPJN-UHFFFAOYSA-N 421.542 1.829 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1690361139 ICBNQHJUXSBOIC-QGZVFWFLSA-N 413.526 1.973 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690507768 WFEKMZYJYCDQLK-KRWDZBQOSA-N 409.556 1.753 30 10 HDEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1690523873 RJRAZVKVFHFBES-UHFFFAOYSA-N 415.519 1.988 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1692655225 DQEBBKPZTZMPKE-CQSZACIVSA-N 401.496 1.494 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1698485761 CDPDSEGKDDRBDH-BEFAXECRSA-N 418.498 1.531 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCc2cccnc2)cc1 1698488464 DEEQCIKNVQFTHG-SFHVURJKSA-N 417.473 1.678 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1705508351 TVNRPOAGEWBNKU-UHFFFAOYSA-N 413.526 1.312 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705540880 QFHDQPZKODFAIV-MRXNPFEDSA-N 411.510 1.154 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1705544362 NHFJDZSKWOPJMF-UHFFFAOYSA-N 401.467 1.519 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2)c(F)c1 1705580805 OKKQASMXYUUYSS-SFHVURJKSA-N 417.448 1.675 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCC(=C)C)CC1 1705647551 IDYQQRQZUBAQSS-UHFFFAOYSA-N 409.494 1.294 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1705663035 UGMBICHYYLSAJL-ZWKOTPCHSA-N 410.547 1.878 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1705829883 FBRPGEADIGJBIM-QGZVFWFLSA-N 403.527 1.871 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)C1 1705922007 DNIFHUXKCZFADY-ROUUACIJSA-N 424.505 1.352 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)N(C)C)C1 1705924869 GVSXSSHEEIYIEN-QAPCUYQASA-N 413.478 1.660 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705936926 BKNHOGYOLOBESW-FQEVSTJZSA-N 424.567 1.606 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706594010 RETHPUXTPQROAA-PDRMZZPLSA-N 415.498 1.035 30 10 HDEE CCN(CC)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1709995949 GHTICIRWMKPYMW-GOSISDBHSA-N 411.510 1.641 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1710913588 QWAWAKVRECDMOZ-ADXZGYQBSA-N 418.523 1.904 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712168892 LEGKFXVLGNEBRS-PKOBYXMFSA-N 409.469 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCOC[C@@H]1OC 1722386295 SOFYCWQZWTURDD-RXVVDRJESA-N 424.501 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1722398288 ZGIUYOMRANOLSH-KRWDZBQOSA-N 403.552 1.127 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC1 1722434467 SFMVTQLVNXMKPD-GOSISDBHSA-N 412.444 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1722435939 XGPXCTHRERIMSW-HXUWFJFHSA-N 423.565 1.452 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1722440907 GPFCPUOGICMUNM-OALUTQOASA-N 418.586 1.458 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCOC)CC1 1722452742 KLGGKUQCECMRDY-UHFFFAOYSA-N 421.567 1.512 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1722504305 FXMNCAQGTXGCMX-NEWSRXKRSA-N 413.526 1.765 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1723630425 LIUGGTIZSVVCGU-UHFFFAOYSA-N 413.482 1.660 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)C1 1724002663 HVNPYUUHNPQSIT-LAUBAEHRSA-N 415.542 1.206 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1729114072 AGVHBVIYSLCBPA-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1740541592 CNFYDEAIRTVTSL-CYBMUJFWSA-N 411.915 1.513 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1740570850 UFJITJMRJQQBGX-UHFFFAOYSA-N 421.509 1.685 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@H]1COCCO1 1740650817 OIPWRLCAOUVCSN-SFHVURJKSA-N 408.458 1.942 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1740689870 DTWZCGFRJBIAIX-UFYCRDLUSA-N 419.570 1.963 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(C)CN(C)C2=O)CC1 1740706133 RNWWHLPSICKGNK-QFIPXVFZSA-N 414.554 1.311 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740753813 OMJKKSRCKDSPEM-ICSRJNTNSA-N 404.559 1.558 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)COCCO1 1741371316 YAFQPVVTJYBXLN-OAQYLSRUSA-N 411.510 1.800 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCn1ccnc1C 1747194897 PARPRUIYAXCANS-IBGZPJMESA-N 412.542 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(F)(F)F)n1 1748851673 JMMDSEHONUJRPM-UHFFFAOYSA-N 416.407 1.935 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1748925310 HAGSQTYGYLKKCB-ROUUACIJSA-N 407.584 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1749010755 WPVQHNVXYWHYOT-QGZVFWFLSA-N 422.489 1.651 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749038961 NDIRRMWONUGKEF-IRXDYDNUSA-N 402.524 1.250 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749234090 ACBAEKWXFZLFFP-QZTJIDSGSA-N 403.527 1.999 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCC1 1749594602 NQQLSTJYHNCIAL-UHFFFAOYSA-N 410.482 1.475 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCO[C@@H]2C)C1 1749713954 BOPJUQICBMGLTB-WIBUTAKZSA-N 419.551 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCCOCC1 1749740858 ZHZMTOKMEMNQLT-UHFFFAOYSA-N 424.498 1.824 30 10 HDEE COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1749779694 SRDZSZDBXRCPSU-UHFFFAOYSA-N 410.526 1.327 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(C)(OC)C2)CC1=O 1749857339 AQMWZIHDCLMLSE-KRWDZBQOSA-N 424.505 1.537 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1749955353 STDBUFXYGFBAEK-QRWLVFNGSA-N 417.489 1.953 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOCC1CC1 1751214720 ZFKLBBGZBMEBFW-CQSZACIVSA-N 410.544 1.445 30 10 HDEE C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1751237666 CKEHKWXJKOVERS-LAUBAEHRSA-N 410.478 1.151 30 10 HDEE Cc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)c(=O)n1C 1751518663 FTCMLQDGJJJXRO-CQSZACIVSA-N 423.477 1.800 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1760143320 CCXOVZFAPSLZQZ-SFHVURJKSA-N 414.554 1.916 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)CC1 1760152835 AHGNMZNZVIASER-UHFFFAOYSA-N 421.505 1.776 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760186335 MIKJCFLCDBYWRW-DLBZAZTESA-N 408.568 1.918 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760313137 JYFALWLXFBIOFL-VXGBXAGGSA-N 405.318 1.662 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1760500970 CZDFCNKRPPMBMH-KSZLIROESA-N 415.494 1.597 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760564741 GJALZXLCXGLOPD-JKSUJKDBSA-N 408.572 1.305 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1761363225 LQSBMJRCCPLPNQ-OWCLPIDISA-N 410.544 1.334 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC(=O)N1C 1763078569 OHWKIVCOVZTAOB-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE CCc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1764464635 FYZCBNCGBXEADC-IBGZPJMESA-N 420.514 1.889 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1769275202 GPFILZDRSBSKHX-HOTGVXAUSA-N 407.471 1.425 30 10 HDEE CSCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1770597658 RJCNWXAQVJXSCL-UHFFFAOYSA-N 415.523 1.704 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCCO2)CCO1 1770752049 PGVZTNFRWBSOLM-MOPGFXCFSA-N 412.494 1.578 30 10 HDEE O=C(CS[C@H]1CC(=O)N(c2ccccc2)C1=O)ON1C(=O)c2ccccc2C1=O 1772789490 IADCYYFCDFTASM-HNNXBMFYSA-N 410.407 1.806 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c(Cl)c3)C2)NC1=O 1851236068 TWWDYVUMDRKJQA-LLVKDONJSA-N 402.838 1.322 30 10 HDEE CN(CCOC(=O)Cc1cc2c(cc1C#N)OCO2)S(=O)(=O)c1ccccc1 1851270128 WBXLOHKSCBOOQJ-UHFFFAOYSA-N 402.428 1.693 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)CC2)n1 1851657920 WWGUOBYBOLRUTL-UHFFFAOYSA-N 413.503 1.392 30 10 HDEE Cn1cc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c(C(F)(F)F)n1 1851706976 CLVDFQPYOIJHQR-UHFFFAOYSA-N 408.384 1.685 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)c1C#N 1852809387 QWRSOYUQYKNMBM-INIZCTEOSA-N 402.458 1.949 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3csc(C)n3)C3(CCCC3)C2=O)CC1=O 1854106699 BLAIPZJHGZREKZ-MRXNPFEDSA-N 416.547 1.970 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2sc(C)nc2C)C1=O 1854263666 XIBZWWSVLRZUHP-SJORKVTESA-N 418.563 1.929 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)CN3CCOC3=O)C2=O)CC1 1855102692 IRTRLVFVYQWCEI-KRWDZBQOSA-N 411.462 1.102 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)CC1=O 1855742175 HMQDPXGWNJYZCO-ZIAGYGMSSA-N 400.401 1.150 30 10 HDEE C[C@@H]1CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855950730 WOZQLBWXQFTMBR-APWZRJJASA-N 417.531 1.517 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCc4c(OC)cccc43)C2=O)CC1=O 1856004821 KENDYDSUEMOMTO-LPHOPBHVSA-N 411.502 2.000 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3C[C@H](C4CCN(CCC#N)CC4)CC3=O)c2n1 1856155166 HQMXKZZVFYEMRZ-QGZVFWFLSA-N 407.474 1.617 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N(C)CCC#N)C1=O)n1nc(-c2ccc(F)cc2)ccc1=O 1856488582 IWPGHSNMQVZQLQ-KSSFIOAISA-N 411.437 1.583 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(-c4cccnc4)n(C)n3)C(=O)C2)C1 1856839802 NJCFJCPGCNMHRE-GOSISDBHSA-N 408.506 1.417 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)[C@H]4CCCOC4)C3=O)CC2)c1 1857015268 MHDYBFVFZINJMR-OALUTQOASA-N 412.490 1.598 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1857033607 DFMMICSDWCXOKA-SJLPKXTDSA-N 419.547 1.966 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@@H]3COc4ccccc43)C2=O)C1 1857109299 JQRYMASQWYEPGP-SJLPKXTDSA-N 404.426 1.320 30 10 HDEE Cn1ccc(C(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CCC2=O)n1 1857211098 GWPMKPMGMNUJAT-MRXNPFEDSA-N 406.490 1.945 30 10 HDEE COc1ccc2c(C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)cc(OC)nc2n1 1857274530 OIQSPGBRKZGHQW-INIZCTEOSA-N 409.446 1.624 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)c1 1858327286 QHDDBUKYRQQONV-MRXNPFEDSA-N 410.455 1.246 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)cc1 1858419836 QFRVMGMUBISLSR-ZDUSSCGKSA-N 411.443 1.789 30 10 HDEE N#CCCN(CC(=O)O)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1866359374 MXYVNXANHRGXCF-UHFFFAOYSA-N 408.208 1.262 30 10 HDEE COc1cc2[nH]cc(C(=O)N(CCC#N)[C@@H](C)C(=O)O)c(=O)c2c(OC)c1OC 1866460376 VSHUKYJVPOYRNT-JTQLQIEISA-N 403.391 1.383 30 10 HDEE CCCCCCCOc1nonc1CC(=O)NCc1ccc(S(N)(=O)=O)cc1 1872653758 XOGOLCSXKWBMFG-UHFFFAOYSA-N 410.496 1.925 30 10 HDEE CC(C)N(CC#CCNC(=O)c1c2c(nn1[C@H]1CCS(=O)(=O)C1)CCC2)C(C)C 1889004377 BDIHHHHLQVOYQL-KRWDZBQOSA-N 420.579 1.583 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1891212652 UYWRTSYHXCASER-GFCCVEGCSA-N 409.471 1.325 30 10 HDEE COc1ccc(N2C[C@@H](CNS(=O)(=O)c3ccc(C#N)cc3)OC2=O)cc1OC 1891436619 UGJWRGTUEYWEOG-OAHLLOKOSA-N 417.443 1.879 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1ncc(Br)n1 2010387341 YNOCCWNQRJDEAE-LLVKDONJSA-N 400.277 1.464 30 10 HDEE C#CCn1ncc(NN2CCN(C(=O)OC(C)(C)C)CC2)c(Br)c1=O 2043994110 YWSYCCDQTKSFCF-UHFFFAOYSA-N 412.288 1.519 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncnc2c1nc(Br)n2C 2124421746 WHZRCGMFWKVPDU-VIFPVBQESA-N 423.271 1.981 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N)NC(=O)OC(C)(C)C 2162924079 DQYXYAGXQRSOGZ-LJZMDLFKSA-N 416.525 1.840 30 10 HDEE Cn1nc(CN=C(NN)NC2CCCCC2)c(I)c1Cl 2174386018 MFRNLMFGVKMVPI-UHFFFAOYSA-N 410.691 1.920 30 10 HDEE CN([C@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174778992 DPGOYWYURFVTOM-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(C#N)CCOCC1 2174784332 MSMGSGGMVJYSJB-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384103 KBIUFTZXPOSKNO-RYUDHWBXSA-N 408.308 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244549046 XPESHQCNJSSUMK-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2247823075 LANKPCDYRWAQPB-UONOGXRCSA-N 418.303 1.543 30 10 HDEE C=C(C)CN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258171451 YQUVHJPMHXBXIN-QGZVFWFLSA-N 410.492 1.825 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267357304 TZSJZOQCKTTXTK-SNVBAGLBSA-N 405.734 1.363 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC([S@](C)=O)C1 2267366026 ZLBZOOGQLWHCIY-DEOSSOPVSA-N 405.372 1.107 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@@H]3CO)cc2Cl)OC1(C)C 2267706000 PRWPWYRYJBIFRB-NXEZZACHSA-N 407.750 1.607 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]3(C#N)CCSC3)c2)OC1(C)C 2267712161 CHULYTBEJAMBNX-HNNXBMFYSA-N 400.356 1.725 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3csc(=N)[nH]3)s2)OC1(C)C 2267716797 SQWKQSVHUBEMKE-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCS(=O)(=O)C(C)(C)C3)ns2)OC1(C)C 2282007059 ZIPBFJCQNKIHBI-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE C[C@H](CS(=O)(=O)N(C)C)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282022462 HIGOUEDMYFPPDJ-LLVKDONJSA-N 402.347 1.057 30 10 HDEE CC1(C)CN[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333483 PFJRFECKWDSXEX-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CN([C@H]1CCC[C@@H](N)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337385 LAAYUYIFGPSQOP-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H]3CN)c(Cl)c2)OC1(C)C 2282415327 GNLMFVBFGNYUDP-NWDGAFQWSA-N 400.737 1.512 30 10 HDEE CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495928 TUKPZVFMKQUUFN-NSHDSACASA-N 402.347 1.192 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282499901 GLVLVFKLIHAJSB-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(CO)CCC2)OC1(C)C 2282511446 MLRWDNTZOVFNFM-UHFFFAOYSA-N 402.347 1.024 30 10 HDEE CCc1nn(C)c(C(=O)N[C@@H]2CCCC23OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282557741 ZJALTVGTYIXTRG-CQSZACIVSA-N 405.304 1.307 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCOCC2CC2)OC1(C)C 2282831358 JCFHQLJGTJEYNH-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE Cc1cc(S(=O)(=O)NCCCN2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282834505 VROMVYLCEFVEOD-UHFFFAOYSA-N 400.375 1.730 30 10 HDEE CC[C@@]1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282837973 ILGPTAPUQGWWMT-MRXNPFEDSA-N 401.363 1.004 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282839013 XNCHFTNOXGJWFW-TZMCWYRMSA-N 400.375 1.546 30 10 HDEE CN(C)C(C)(C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843474 NZPYSCLAXHELTM-UHFFFAOYSA-N 403.379 1.202 30 10 HDEE CCN([C@H](C)CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393255 IWVZEFKREGERAX-LLVKDONJSA-N 403.331 1.921 30 10 HDEE CN(OCC(=O)O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284405215 HYLOFQYJZBJLIB-UHFFFAOYSA-N 405.665 1.276 30 10 HDEE CCC(CC)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406018 SOIWLMOLEVABHN-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNOCc2ccccc2)n1C 2300297501 ZLXZCAFKNYAGSE-UHFFFAOYSA-N 414.315 1.479 30 10 HDEE CC#CCN(CC(=O)NCCc1nnc(Br)n1C)C(=O)OC(C)(C)C 2316111505 XQEMNKBJUCTMQB-UHFFFAOYSA-N 414.304 1.497 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2319403689 NQSFDHZJOVZWPP-XLIONFOSSA-N 406.504 1.058 30 10 HDEE CCOc1ccc(C=CC(=O)C(=O)NCCN2C(=O)CSC2=O)cc1OCC 2325716755 SEXJQBNMNCZZPF-UHFFFAOYSA-N 406.460 1.878 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C[C@@H]3CCCCO3)s2)OC1(C)C 2364240605 NRXURGCQAPTMMT-LBPRGKRZSA-N 402.347 1.431 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2365196516 NAAMWPCGUAQWKU-AUUYWEPGSA-N 402.557 1.409 30 10 HDEE COC(=O)[C@](C#CC1(S(C)(=O)=O)CCC1)(NC(=O)OC(C)(C)C)C(F)(F)F 2367818606 QKXLYSPXZURIKU-HNNXBMFYSA-N 413.414 1.956 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831729 UDCZNXZGUGHEMD-CRAIPNDOSA-N 402.557 1.730 30 10 HDEE CCCSc1ccc([N+](=O)[O-])c(/N=C/NOS(=O)(=O)CCNC(=O)OC)c1 31415373 DIRPGVICTZHHDG-UHFFFAOYSA-N 420.469 1.964 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 63483707 YYGHVXPWSRVLMO-MRXNPFEDSA-N 401.429 1.365 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C(=O)C1=O 64835486 HHPOEIXBFRFPCR-UHFFFAOYSA-N 405.520 1.313 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCC2CCS(=O)(=O)CC2)cc1Br 433865880 SPGPYVGMIZRJQT-UHFFFAOYSA-N 421.338 1.814 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cn1 461286155 SERGXTDQKLGWID-UHFFFAOYSA-N 408.443 1.832 30 10 HDEE CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1 471877931 PSEIQADSMJSQAQ-GFCCVEGCSA-N 401.286 1.403 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 472166412 XIAMIQKPLVYWOT-IBGZPJMESA-N 417.531 1.770 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)nc1 474359717 VMHFZUIPENZSGF-KRWDZBQOSA-N 411.527 1.911 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCn3c(O)nnc3C2)cc1 475105978 GTFZYEJKTPHAJP-UHFFFAOYSA-N 421.461 1.726 30 10 HDEE COc1ccccc1N1CC[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 480741128 RFYBRYZVBRYBAS-INIZCTEOSA-N 403.435 1.931 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(N3CCOCC3)n2)CCN1Cc1ccccc1 483549359 ZEWCYDYBRDRKML-NRFANRHFSA-N 420.517 1.838 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489557401 YJIIBLQODRFNIK-UHFFFAOYSA-N 408.505 1.169 30 10 HDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 507428382 YDIUODDBITYAHO-UHFFFAOYSA-N 402.484 1.632 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 508462952 BPBSXYVXZRPDBZ-MRXNPFEDSA-N 400.483 1.672 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(Cc2nc(C)no2)CC1 508921399 YPIOSTWJZGFJFM-SFHVURJKSA-N 423.477 1.990 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCC1CCS(=O)(=O)CC1 511567001 OOQJCTPLTZRGIO-UHFFFAOYSA-N 406.552 1.846 30 10 HDEE COc1ccc(OC)c(CN(CCO)CCS(=O)(=O)c2cccc(C#N)c2)c1 533607118 VQVPBKUIMZTBQB-UHFFFAOYSA-N 404.488 1.844 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)n1 543260542 ODAWCGSTNCAAMH-UHFFFAOYSA-N 423.477 1.721 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)CC2)n1 544863035 KZPUIYIWRXOPRA-TXPKVOOTSA-N 414.535 1.328 30 10 HDEE CS(=O)(=O)CCc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546928117 NCPBAHLCUZXRPU-UHFFFAOYSA-N 413.503 1.894 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC(=O)N1Cc1ccccc1 547378475 UGJUSMOGANRXSW-KDOFPFPSSA-N 409.494 1.627 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N 548924709 VINKMYXLWPGPQN-AWEZNQCLSA-N 412.471 1.790 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 549349527 BEKHSEWWXWDPBP-MRXNPFEDSA-N 422.441 1.301 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-n4cccc4)ccn3)CC2)cc1 553963627 IFLCERNPAVJIMB-UHFFFAOYSA-N 421.482 1.891 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2)CC1 555185908 KKTRGZCDAVPULY-IBGZPJMESA-N 410.522 1.255 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)c1 559199419 CLYVUOVFHHGUKL-FGTMMUONSA-N 404.492 1.496 30 10 HDEE COc1cc(CNC2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)ccc1C#N 562102878 GQQQRBSPOZUVRU-UHFFFAOYSA-N 403.508 1.850 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCC1 589215120 JTBIDUKXPRBLDJ-UHFFFAOYSA-N 417.940 1.670 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSC[C@@H]2CCCCO2)CC1 608931303 OKLSBLSQHZOFHB-KRWDZBQOSA-N 423.560 1.693 30 10 HDEE CN1C(=O)N(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C(=O)C12CCCCC2 608951308 BMKOBQKOGYUVCW-UHFFFAOYSA-N 424.505 1.635 30 10 HDEE C[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N(C)C1CC1 609213197 LBSXHCFNFFZWAH-HNNXBMFYSA-N 405.524 1.057 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 611266177 PMOKKSYBVKPVOT-AVRDEDQJSA-N 400.523 1.792 30 10 HDEE C[C@H](C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)N1C(=O)c2ccccc2C1=O 611547989 STTHHRWEIAVKMJ-KUHUBIRLSA-N 416.437 1.855 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)cn1 613152510 YZUVTQDMVMKRMY-KRWDZBQOSA-N 405.393 1.983 30 10 HDEE CCCn1c(CCC(=O)N2CC[C@](F)(C#N)C2)nc2cc(S(N)(=O)=O)ccc21 615609187 RZNXEAOJUVMPHT-SFHVURJKSA-N 407.471 1.490 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1 728535034 VUZMRAPGOARQGP-UHFFFAOYSA-N 410.522 1.643 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Br)cc1F 732465556 HPFJBDNSVKSBHL-CCEZHUSRSA-N 411.231 1.914 30 10 HDEE Cc1cc(C)c(S(=O)(=O)NCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1 732665124 XPTYVOOAAGQOFC-SFHVURJKSA-N 404.536 1.479 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)CCN1C1CC1 732706474 KRPSFVYKGDGTQL-QGZVFWFLSA-N 415.457 1.558 30 10 HDEE C[C@@H](c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)N1CCOCC1 737199919 XRSDYOFEUOJTOD-OXJNMPFZSA-N 411.506 1.217 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1=O 740205460 WEFQNELYWVEVMP-LJQANCHMSA-N 421.409 1.512 30 10 HDEE COC(=O)[C@H](OC(=O)Cc1cccc(NS(C)(=O)=O)c1)c1ccc(C#N)cc1 740243854 CARPDUULEVDJNO-GOSISDBHSA-N 402.428 1.930 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=O)[C@@H](OC(=O)CNC(=O)c2ccc(C#N)cc2)C1 744932739 HPMWZALXGYDGIF-INIZCTEOSA-N 401.419 1.410 30 10 HDEE CC(C)C[C@@H](C=NNC(=S)NCCN1CCOCC1)NC(=O)OC(C)(C)C 749605417 RPAKHVQPFVVFRY-HNNXBMFYSA-N 401.577 1.708 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 752932301 ARUAZQZECYDSFJ-FCHUYYIVSA-N 420.513 1.997 30 10 HDEE Cc1nn(C(C)(C)C)c(C)c1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 755625131 OODZRXTWXSKQKZ-INIZCTEOSA-N 411.531 1.684 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C 766986691 WYYDCRJKQLZKRP-KRWDZBQOSA-N 416.459 1.221 30 10 HDEE C[C@@H]1CCCN1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 769864824 AUWRHRYWZVCPGX-LTRYHMRKSA-N 400.526 1.640 30 10 HDEE C=CCNc1ncc(C(=O)OCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)s1 770107563 LBYLKIRIRCZXQN-ZDUSSCGKSA-N 415.537 1.570 30 10 HDEE Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n(C2CCOCC2)n1 771450557 BYLKWKCVBUFVID-UHFFFAOYSA-N 403.464 1.220 30 10 HDEE CCCCN(C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 781395309 WYNAGOFQBCBSCI-GOSISDBHSA-N 418.515 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784861945 NWMLGWNHTVTRHC-UHFFFAOYSA-N 417.422 1.376 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(CCNC(=O)OC)s2)n1 788696524 SGZDMESFLVMJKH-UHFFFAOYSA-N 410.521 1.687 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(c3ccncc3)CC2)n1 789162497 DKXDYVHHOAXCJZ-UHFFFAOYSA-N 410.522 1.986 30 10 HDEE C[C@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)Nc1sc2c(c1C#N)CCC2 790676365 GDDLHQKEWFPCAW-FKIZINRSSA-N 415.471 1.592 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CC(=O)N4CCC[C@H]34)nc2)C1 799471971 KPSYYVCOWIEKRF-CKEIUWERSA-N 405.524 1.911 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 802625797 IEOHPPNNDAACIV-DYVFJYSZSA-N 405.426 1.350 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812046684 OHGYLARVIJQNKV-QGZVFWFLSA-N 403.508 1.119 30 10 HDEE CC(=O)N1CCN(C(=O)[C@@H](OC(=O)[C@@H](C)Oc2ccccc2C#N)C(C)C)CC1 914678711 KRYZKPVLEINPRM-BEFAXECRSA-N 401.463 1.584 30 10 HDEE C#CCN(C(=O)CSc1nncn1-c1ccccc1CC)[C@H]1CCS(=O)(=O)C1 918756287 POAKGHLRJZLFBX-INIZCTEOSA-N 418.544 1.571 30 10 HDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)c1C 1084583816 WPIPCXWVSYQJDQ-UHFFFAOYSA-N 401.460 1.099 30 10 HDEE N#CC1(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCOCC1 1128737588 PRNISERGEPOPEB-GOSISDBHSA-N 417.481 1.670 30 10 HDEE CN1C(=O)COc2cccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c21 1132780932 BTLDYTPAOKWRPR-UHFFFAOYSA-N 414.443 1.486 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(CN(C)C)c(C(F)(F)F)c2)C1=O 1133440889 CYQQOJYVQIRCGR-UHFFFAOYSA-N 412.368 1.682 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C[C@@H]2CCCO2)C(=O)OC)ccc1F 1133642833 PLZSPXNNCFHNII-DZGCQCFKSA-N 414.455 1.131 30 10 HDEE COCCN1C[C@@H](C(=O)Nc2ccc(C#N)cc2I)CC1=O 1133966876 AOSYUCPPLXAGKH-NSHDSACASA-N 413.215 1.596 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(=O)OC)c2)s1 1137374721 NRBXOHRJGRFMSO-UHFFFAOYSA-N 408.501 1.858 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4ccc(F)cc4F)CCCC3)C2)c(=O)nc1O 1159490358 OTMYMSGFULXUDA-UHFFFAOYSA-N 400.385 1.994 30 10 HDEE N#Cc1cn(CC#CCN2C(=O)c3ccccc3C2=O)nc1I 1166399832 UHILXZRAKDIQIT-UHFFFAOYSA-N 416.178 1.659 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(C(F)(F)F)nc1 1166498808 BPRNMRSMNFDTGW-JTQLQIEISA-N 413.381 1.350 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)C(=O)C1 1169475523 ZDRZQSMDPHCBIH-DLBZAZTESA-N 406.527 1.585 30 10 HDEE CC(C)(C)n1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(O)nc1=O 1177381790 WWWAWOGKNDLCPT-AWEZNQCLSA-N 409.446 1.245 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1191938576 NCWGPYGQYSPXDI-UHFFFAOYSA-N 422.510 1.763 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1sc(C(=O)OC)cc1Br 1192941371 PQISHHPZMICFNM-UHFFFAOYSA-N 410.311 1.958 30 10 HDEE COCC(C)(C)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1195333281 HYSIVVOUQAIIQQ-SFHVURJKSA-N 419.595 1.500 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3cc(C(=O)OC)on3)CC2)c1 1197212250 KTKCTIYXYMKALG-UHFFFAOYSA-N 410.430 1.970 30 10 HDEE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198071394 IQKKEPICUCZNAQ-GDLVEWKHSA-N 412.855 1.445 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cnc1C 1213442145 DNZSJQPBMDMVHF-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE C=CCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OC)CCOCC1 1281848217 ZTVOJHAIDGVTNQ-ZBDIRKKZSA-N 404.507 1.125 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1286294212 CDJDUOXZIKKTFN-HUUCEWRRSA-N 413.519 1.351 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286384928 KSOJOJQYHSVPPM-IKGGRYGDSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1286433728 ZORNJKCSBXMXOS-QZTJIDSGSA-N 421.492 1.949 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1286447203 KGZQZDOOLLFMQR-HXUWFJFHSA-N 423.565 1.849 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1286542690 WXWMWQDPKVUDDZ-JLLWLGSASA-N 407.309 1.883 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1286612696 WZJRNFSASVUNOL-SFHVURJKSA-N 420.558 1.371 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286786592 HOKDRLAVIWTPRW-HOTGVXAUSA-N 400.483 1.191 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCCN(CCC)C(=O)C1 1286823251 SHOCKUMBGFQJJO-UHFFFAOYSA-N 409.556 1.280 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1286825607 TYJQGQQFSFFWPR-JTDSTZFVSA-N 412.556 1.623 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1286844581 HKSPPLFGLJTGAJ-QGZVFWFLSA-N 419.493 1.298 30 10 HDEE CC1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1291180630 ICFVOKICXUZYTH-QZTJIDSGSA-N 415.542 1.470 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN([C@H]2CCSC2)CC1 1295046161 BZEODFYCJVGHGE-WBVHZDCISA-N 400.552 1.603 30 10 HDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(O)C1=O 1298542974 HWRYCEUOVQNPKT-BTYIYWSLSA-N 419.478 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1300303480 KYUPPGOFFOJKQS-PXNSSMCTSA-N 424.549 1.870 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1300539040 WWXHMHWBVNQFHZ-SFHVURJKSA-N 410.499 1.332 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301036111 AQXGJOWIEINDDO-ZBFHGGJFSA-N 408.934 1.671 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1301129377 PWZHMXJBTVMFAE-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301195157 VEOGPENROBXJCF-HXUWFJFHSA-N 402.499 1.788 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCN(C)C2=O 1303244611 HRJZFTZMTRUDJC-LLVKDONJSA-N 412.878 1.016 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)OCc1ccccc1 1306892485 HPMCCCDEGAAGNE-UHFFFAOYSA-N 411.414 1.817 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)cc1 1308131832 KEWOQZZCSMDZRC-MOPGFXCFSA-N 402.458 1.767 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1309798353 CTXFFKFQSSQELG-JOCHJYFZSA-N 410.495 1.860 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1313781477 QHMIOAVGUJEWCJ-GDBMZVCRSA-N 419.507 1.698 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1315496491 AOQDQRYQPIEKJZ-JKSUJKDBSA-N 412.450 1.023 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1316101724 OHSZRKCCNIXKDR-MOPGFXCFSA-N 418.542 1.797 30 10 HDEE CO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316324500 AIUPSGIPABGWNX-KOFUXLBCSA-N 416.482 1.271 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCOc2ncccc2Cl)CCO1 1316537118 ALQGZELGTYARCT-ZDUSSCGKSA-N 412.841 1.591 30 10 HDEE CN(C)Cc1cnc(/C=C\C(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)s1 1340930492 FLACPGJUCBSFLR-FPLPWBNLSA-N 409.489 1.464 30 10 HDEE C=CCn1cc(C(=O)N(CCC(C)C)c2c(O)nc(=O)n(CCCC)c2N)nn1 1349885570 FNVRQXFAVXNLIJ-UHFFFAOYSA-N 403.487 1.802 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1358909881 VKKLQGBISBJXTN-QGZVFWFLSA-N 419.493 1.676 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1358937525 ZHVHJUPCMZMEJB-ULQDDVLXSA-N 416.482 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1358969792 WYFLGDJDHGIMQU-CQSZACIVSA-N 420.564 1.277 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1358978256 HKKZUVNHHSRRBS-SFHVURJKSA-N 422.514 1.372 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359035444 UMLHKEJQUHZHBQ-MOPGFXCFSA-N 412.538 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359297281 LGZQWZHEFDKEBJ-SFHVURJKSA-N 405.506 1.732 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1359472063 FDFAUJXAYYXOIA-CQSZACIVSA-N 422.493 1.266 30 10 HDEE C=CCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CCS(=O)(=O)C1 1359874799 BPOZIKXUEVGIGY-GFCCVEGCSA-N 413.293 1.901 30 10 HDEE C#CCN(CC(=O)N1CCC(C(=O)NCc2cccnc2)CC1)C(=O)OC(C)(C)C 1441180297 GYSVHKMEWLMGHL-UHFFFAOYSA-N 414.506 1.807 30 10 HDEE N#Cc1ncn(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1449135081 YJCNOOXTAOAPHD-UHFFFAOYSA-N 400.240 1.037 30 10 HDEE C#CCOc1ccc(CNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 1449778631 GHXIMBUPXZPBIM-GOSISDBHSA-N 415.490 1.831 30 10 HDEE CC(C)c1ccc(N2CC[C@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)C2=O)cc1 1453845070 RYIWIROCQUBGJK-QGZVFWFLSA-N 409.446 1.113 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCCC1 1456184742 OSBGYBKFSXDTFX-UHFFFAOYSA-N 406.504 1.969 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H]1C(=O)OC 1457145684 MTJJRWZLAXGUAS-OKILXGFUSA-N 403.460 1.587 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCOCC1 1461711626 MUAUQDHNGPTFDW-GQIGUUNPSA-N 420.531 1.643 30 10 HDEE Cn1cccc1[C@@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1466771058 UXRCWUSKCIJLCB-HKUYNNGSSA-N 421.457 1.702 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1c(C(=O)OCC)nc2c(Br)cccn12 1467281624 DMFVKBYVCXUAJD-JTQLQIEISA-N 409.240 1.779 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@](C)(O)c1ccccc1 1469755701 YHNLRQGUKNZFFL-QRWLVFNGSA-N 401.488 1.905 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 1470769808 ZQJLFQSEVPUPDL-JKSUJKDBSA-N 409.939 1.998 30 10 HDEE C=C(CCN(C)C)C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1471944234 LJBZXIZMVPLMJS-MRXNPFEDSA-N 409.527 1.943 30 10 HDEE COc1ccc(N(C)CCN(C)CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 1473611093 YJFBEOKDPYAGDW-OAQYLSRUSA-N 401.555 1.756 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 1473727200 BNHIFTNODILKCH-GOSISDBHSA-N 406.914 1.982 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 1478769874 HUEQNSQAFUPSLJ-HXUWFJFHSA-N 411.462 1.616 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1507525614 IEMPOZYDWNJDOQ-INIZCTEOSA-N 419.576 1.782 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1507631281 NSDLWDAUWSCEMX-WZQKQDCOSA-N 410.565 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCc1n[nH]c(C)n1 1507667297 LQOQIDABIVXJQO-UHFFFAOYSA-N 406.450 1.138 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1507689041 GDNZEHUZQURTGY-MRXNPFEDSA-N 403.508 1.482 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nncn2CC)CC1 1507732162 JCNVCLNQQWSODF-UHFFFAOYSA-N 424.484 1.411 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507755600 VNFUKIWRIGYZGZ-DLBZAZTESA-N 420.583 1.143 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507800763 YBIZOUZDHVMEEX-ZMMAXQRCSA-N 403.527 1.820 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1507833465 VEYZHPVGRXAVHK-UHFFFAOYSA-N 413.526 1.904 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1507835939 RKYUWUJZSVSLOH-UHFFFAOYSA-N 404.496 1.087 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507842580 CGOBSMOARBQFGU-GJZGRUSLSA-N 406.487 1.099 30 10 HDEE C[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC(C)(C)O1 1512450212 IHUYYWBYHUSZOA-WMQDPJMESA-N 400.483 1.686 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(C3CC3)nnc2N2CC[C@@](F)(C#N)C2)c1 1517619508 BGIPWBZRTJYAJP-GOSISDBHSA-N 404.471 1.554 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)O 1519166521 HZAUTLRVLHWTBT-UHFFFAOYSA-N 401.467 1.854 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 1532903280 HCKBEPSLKPGEIK-CRAIPNDOSA-N 410.430 1.619 30 10 HDEE COc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c([N+](=O)[O-])cc1F 1533849454 QBXDYYUXOGEPKV-NSHDSACASA-N 400.370 1.755 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C)c(C(=O)OC)o2)c1 1535253111 MOSVBZSMHNTCFF-UHFFFAOYSA-N 410.426 1.862 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)COc1ccc(C#N)c(Br)c1 1537509857 VTUADBOMFROACR-QGZVFWFLSA-N 421.251 1.644 30 10 HDEE C#CCC1(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CCOCC1 1537958034 YCUSCEOZYDBFEN-IBGZPJMESA-N 421.856 1.935 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1)c1cc[nH]n1 1538377103 ZBYRYOLOGNSQHM-GOSISDBHSA-N 400.435 1.970 30 10 HDEE COc1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1538539879 OCQYOZQNFWNNLR-LIRRHRJNSA-N 416.459 1.075 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@](C)(O)CC 1539179771 RPANIPLZTONPCY-YWZLYKJASA-N 407.515 1.817 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1539193758 JXNSCEIULQPWSI-UHFFFAOYSA-N 413.503 1.623 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1539201710 CDYIZRLHGQWNSG-IAGOWNOFSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539259168 ALQCQMUHMPTECV-MRXNPFEDSA-N 405.458 1.858 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1539312355 OWDUMCIRKQUMNH-QFIPXVFZSA-N 424.574 1.944 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NC)CC1 1539596889 QNABCNVZYDTNQW-ZDUSSCGKSA-N 413.320 1.542 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1539701253 BZUVZUIYWUAFNU-INIZCTEOSA-N 401.540 1.892 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)C(=O)C1 1539900878 VVMXFIMQODEBAF-UHFFFAOYSA-N 400.527 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540865879 VIPOHMGGRPBHRA-ZIAGYGMSSA-N 409.512 1.407 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCS(C)(=O)=O 1541362975 HBVSZAWJPJMJNV-UHFFFAOYSA-N 420.514 1.783 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 1543396515 BPQCTSCZIUAZBL-NSHDSACASA-N 416.297 1.240 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCc4c(CC#N)cccc4C3)CC2=O)cn1 1543572041 DQFXJDNXUAESQA-SFHVURJKSA-N 407.474 1.533 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1544679663 ATDSDZHWALGNHV-QXSJWSMHSA-N 411.424 1.140 30 10 HDEE C#CCN(C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1545062914 QNIUCEYTRKDENX-SJORKVTESA-N 421.519 1.166 30 10 HDEE C#CCN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1545063180 VMWGEDBQGDTXRB-AWEZNQCLSA-N 402.488 1.375 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1nccn1C)C(F)(F)F 1558866084 FWURSZIDACLSSV-MFKMUULPSA-N 415.397 1.378 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)n1 1564958654 COQUEKJKYYVVOQ-ZIFCJYIRSA-N 417.510 1.541 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1570226985 GYILMVRNOGWXAM-MRVPVSSYSA-N 407.673 1.224 30 10 HDEE C=CCN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@H](Cc1ccccc1)C(=O)OCC 1585016682 ZMQJPFDTZFHZBV-GOSISDBHSA-N 412.490 1.570 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C(=O)OCC 1587286033 RKXUJVASPGCYQM-HNNXBMFYSA-N 403.884 1.186 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1 1587650547 CQNRNUHUCUYPMO-QGZVFWFLSA-N 411.506 1.584 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1587808188 NSHOVUBGOUFTRT-IRXDYDNUSA-N 408.572 1.366 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1587856615 NYYXTHIDFMHMKB-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1587857407 YVGHRDODQGPZBM-GUDVDZBRSA-N 417.554 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC 1588093757 PEIPQOWAKKZEAH-UHFFFAOYSA-N 403.284 1.255 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1588271354 HSYLSKSYZWAFER-QFIPXVFZSA-N 413.522 1.834 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1588386246 OJAZJXUNWFMWBZ-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCS(C)(=O)=O 1589142619 LXNDKWIFKLDQSS-LJQANCHMSA-N 416.507 1.352 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1ccn(C)n1 1594943179 MRUVBLOINUETJP-UHFFFAOYSA-N 414.539 1.837 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1596830519 CDIUFBBCIMERJO-YOEHRIQHSA-N 419.507 1.821 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705320 QQAMJNTVASVVBD-SBUREZEXSA-N 418.453 1.617 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](OCc3ccncc3)C2)c1 1611576618 WMHILHTUGBZXCU-OAHLLOKOSA-N 403.435 1.949 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1614978223 DNRPXYFVHVRYNF-KRWDZBQOSA-N 419.493 1.813 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615841859 HDSPXPFBLUTIOX-LQWHRVPQSA-N 419.549 1.988 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)C1 1615977599 CPSUKKSHDYGDCX-MRXNPFEDSA-N 420.539 1.898 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1617214431 QQZQJYGYMBFXFR-UHFFFAOYSA-N 421.509 1.267 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OC)CCSCC2)s1 1617270088 YCWKWJRVXUCVPW-UHFFFAOYSA-N 418.562 1.310 30 10 HDEE C=C(C)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1622728766 GJUOJOKDDNPXHP-CQSZACIVSA-N 401.510 1.240 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cccc(CN3CCCS3(=O)=O)c2)C1=O 1626210011 INZAQJHQWFYGDI-KRWDZBQOSA-N 406.508 1.473 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1626455881 RAXUBXQENGAYIF-CQSZACIVSA-N 407.467 1.740 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCC3CCN(CC#N)CC3)nn2)C1 1629082178 MOSMLGKYMXUVKC-UHFFFAOYSA-N 403.487 1.035 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3(C(=O)OC(C)(C)C)CCOCC3)CC2)c1C#N 1633056563 YGZJDERRTZAUCJ-UHFFFAOYSA-N 417.510 1.387 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C2CC2)CC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1633550064 JYZDJCGOUYKRTP-LSDHHAIUSA-N 417.466 1.115 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634287823 GTPISYKQQUTITI-DLBZAZTESA-N 408.495 1.864 30 10 HDEE C=CCC[C@@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC 1635699282 SPUCPCHDXAZSCJ-YLJYHZDGSA-N 424.519 1.456 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3c[nH]c4nccc-4c3)ccn2)CC1 1635993501 PKBVGMPLKKDMJV-UHFFFAOYSA-N 402.458 1.084 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1)C(=O)OC(C)(C)C 1636577119 IHJVMSXIYJOFBP-MRXNPFEDSA-N 403.483 1.011 30 10 HDEE CC1(C)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@]1=O 1636701805 RRYBFWDSKXSYBN-GUNSETOZSA-N 416.503 1.523 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCc2cn(C3CC3)c(=O)nc2O)CC1 1637449307 GSVUQJINOBJAKB-UHFFFAOYSA-N 408.462 1.624 30 10 HDEE N#Cc1c(CCCNC(=O)NC[C@@H]2C[C@@H]3COC[C@@H]3O2)nn(-c2ccccc2)c1N 1638295884 SZYHSVWBKVVEFK-ALKREAHSSA-N 410.478 1.362 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1nnc(-c2cncc(Br)c2)n1 1641236349 IAQYKKMRINAAIP-UHFFFAOYSA-N 423.230 1.797 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)n1ncc(C#N)c1N 1642520632 QVBIOAGQJZTIOF-UHFFFAOYSA-N 401.382 1.830 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)[C@@H](O)C(F)(F)F)s1 1643204548 OWKSICKAKHLNPZ-GFCCVEGCSA-N 400.444 1.573 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2cccc(Cl)c2)C(C)C)CC1 1643372292 FFMGGFKWNVCJQT-KRWDZBQOSA-N 413.927 1.355 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1 1643848155 CJZLCUJQMSJJKB-OAHLLOKOSA-N 403.464 1.664 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)cc2=O)n1 1646083014 YZGGVAOENMKMIS-UHFFFAOYSA-N 403.446 1.859 30 10 HDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1646386621 WYOGNVLVYVJYNO-UHFFFAOYSA-N 409.939 1.518 30 10 HDEE C=CCC1(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCOCC1 1646408060 JBPLPVOPDDBVSF-HNNXBMFYSA-N 407.511 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 1651874925 SWRZJKUTSYXZLA-CABCVRRESA-N 405.503 1.958 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 1652140324 AODGZRUGLTVRFN-FXTXOLNPSA-N 421.519 1.314 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(N(C)S(=O)(=O)CC)cc2)CC1 1663464687 KUZLWXOZPOHZNA-UHFFFAOYSA-N 406.508 1.466 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)c(F)c2)CC1 1663604490 GQXVQDYASSYJQG-UHFFFAOYSA-N 408.377 1.462 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)NCCS(=O)(=O)C2CCOCC2)c1 1668736391 HNANQNGNTQSKRT-UHFFFAOYSA-N 403.407 1.875 30 10 HDEE COc1ccccc1C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC1 1671509546 MNBSVCJONNMBPQ-YWZLYKJASA-N 403.504 1.697 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)C1 1672340318 OOLSGQNLFIEURD-LJQANCHMSA-N 404.474 1.763 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N(C)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675945510 VYSWHFQEOITHHI-INIZCTEOSA-N 407.474 1.693 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)CC1 1676641308 BRTMLLWBKABBDT-UHFFFAOYSA-N 405.495 1.823 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1689827427 DVPCZLTZXRKBTH-HUUCEWRRSA-N 415.523 1.237 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1689831624 OERCGAIPMLENMH-DYESRHJHSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OCC)c1 1689945514 FNZDKMZKRXTTDJ-HNNXBMFYSA-N 405.524 1.599 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1689966374 QAVUNGCZKXMZSC-LJQANCHMSA-N 413.547 1.308 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1690030169 PLZCCQLOFLYSOD-UHFFFAOYSA-N 424.549 1.770 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1COCCO1 1690089855 OXKRLFRCYJQXFI-SFHVURJKSA-N 408.437 1.929 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690642185 ADILBSPXRAFTJD-MRXNPFEDSA-N 415.498 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCC[C@@H]21 1690728997 CQUJODNJNJGBSR-SJORKVTESA-N 404.540 1.729 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690743465 AGMFIVZTRPPZRH-OALUTQOASA-N 420.627 1.917 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1692669300 RUFIJBAPHYTZLZ-OKZBNKHCSA-N 417.558 1.811 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOCCOC 1694782848 WXCISBKVIYNTDG-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1697535317 CCOFVYOFLRLJBR-INIZCTEOSA-N 409.450 1.473 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705489712 UYFYBNFSBHUPSN-UTKZUKDTSA-N 419.533 1.751 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1705584314 GHKSLJXLHPFABG-PMACEKPBSA-N 406.534 1.836 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@H](CO)O1 1705602753 BPKWPNXQWIAUAF-OKYOBFRVSA-N 402.495 1.005 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CC1 1705603237 MCXSWQZJDBVCOB-IRXDYDNUSA-N 420.535 1.042 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1 1705620815 HJZNTKQBCVTYAF-UHFFFAOYSA-N 402.543 1.476 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1705725744 OUVSRSZLCZBNBT-MRXNPFEDSA-N 409.556 1.057 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1705876035 NFZLMJIXZPFOFO-HUUCEWRRSA-N 415.585 1.541 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)C1 1705922324 KRRBIVATCPGCEF-IAGOWNOFSA-N 416.526 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705931829 BRTUYTAWFOAEQD-HZPDHXFCSA-N 406.556 1.793 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1706553256 AMRYXXZKIMILMU-UHFFFAOYSA-N 402.524 1.392 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1708295769 CNAIFZKPNOHFJW-BBRMVZONSA-N 411.466 1.237 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1)[C@H]1CCOC1 1711046163 RHRWNWLHMCNSPP-KRWDZBQOSA-N 410.478 1.480 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722322913 YAMQXLVBHXHHEE-UHFFFAOYSA-N 408.506 1.960 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722371412 ISJQBPSDJJSDFR-QGZVFWFLSA-N 416.551 1.256 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1722404825 FAFUZEOLBKUNDH-UHFFFAOYSA-N 412.450 1.595 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCOCC2)CC1 1722441859 VUDREYXFSCWTNP-QGZVFWFLSA-N 416.570 1.262 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1722628990 FEQGFXMVDINQFY-DLBZAZTESA-N 412.556 1.636 30 10 HDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1729114045 AGVHBVIYSLCBPA-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1730921258 DXBZBIFDGXUZCH-FQEVSTJZSA-N 413.482 1.718 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1C[C@H]1CCS(=O)(=O)C1 1731187856 ASOONMFKIBFIRH-MRXNPFEDSA-N 400.508 1.905 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1740568228 CSGPZILBHJAFDD-UHFFFAOYSA-N 406.490 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@@H]1C 1740653786 YNYNSWXAZRIZEV-KRWDZBQOSA-N 424.505 1.189 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2conc2COC)CC1 1740702668 VDQFBACDSOSBBN-HNNXBMFYSA-N 414.510 1.940 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1740727567 QJIXAGQTSFFJNY-HTAPYJJXSA-N 422.489 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1740992533 IDMIQGMXOHFSKW-UHFFFAOYSA-N 413.544 1.498 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746242848 BNFJBHRXILRRAW-VXPUYCOJSA-N 424.509 1.517 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCC1 1746494358 COBHAMGNZPRYHD-INIZCTEOSA-N 413.526 1.666 30 10 HDEE CN(Cc1ncc(Cl)n1C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1747797355 MAYPEGWXKNNCCH-CYBMUJFWSA-N 414.857 1.765 30 10 HDEE CN1C[C@@](C)(Cn2c(N3CCN(c4cc(C#N)ccn4)CC3)nnc2C(C)(C)C)C1=O 1748050919 TWUWVFRQHUWCMO-QFIPXVFZSA-N 422.537 1.647 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1748791146 PJDCCXJZSXXGPL-KRWDZBQOSA-N 403.508 1.037 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1748792712 IDVDUHHDWGVQMS-GOSISDBHSA-N 401.430 1.997 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1748825856 GZZRERSRYARSRL-HUUCEWRRSA-N 409.581 1.493 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1748846121 CWCAKCWXGJGKPD-SJORKVTESA-N 410.499 1.429 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1748887716 GEDVZJFWOKJSRD-GOSISDBHSA-N 419.485 1.902 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)C(=O)NC 1748956863 MGHLFDCAGAFOST-UHFFFAOYSA-N 413.478 1.532 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccccc2)CC1 1748992647 CUZVKZVXLVNVCG-DEOSSOPVSA-N 416.529 1.927 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749098626 HTXSSNJOZBBAHU-ZDUSSCGKSA-N 412.313 1.872 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1749539269 XMXLGHHNOQOLGQ-VGSWGCGISA-N 408.506 1.900 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749659002 QZUGCTFSCBEDAG-AWEZNQCLSA-N 408.462 1.660 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749758111 KFMSCXIZGXKVTA-UHFFFAOYSA-N 406.556 1.031 30 10 HDEE N#Cc1cccc([C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)CCO2)c1 1750382840 YDMNIJMOMYTNQX-RBUKOAKNSA-N 424.505 1.841 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1750884303 BYKDVBZGRGTLJG-QGZVFWFLSA-N 408.572 1.650 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1751089236 DFDAATANXVXJMK-AWEZNQCLSA-N 410.544 1.466 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)C1 1751276985 HFVLWPIGMIJOKY-IBGZPJMESA-N 402.524 1.829 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1760155316 VLIAFOHTOLOHJR-MRXNPFEDSA-N 407.540 1.076 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760163541 ZYWBKAVOJMTMCC-QZTJIDSGSA-N 420.521 1.962 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1760180027 UMMWXKUZQSHWHP-FMQUCBEESA-N 424.436 1.592 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCS(=O)(=O)C1 1760193287 CFOWSSHHLNJAMU-MRXNPFEDSA-N 419.551 1.094 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(-n2cncn2)nc1 1760246260 NMWRLDBFRRTTOS-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O)C1CC1 1760476060 FLLTUSDWPNHDNJ-UHFFFAOYSA-N 409.537 1.469 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@](C)=O)CC2)C1 1760539268 ZMRLWPDXNAOPKW-NEGSUBRYSA-N 424.567 1.623 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2ccccc2C1 1760548669 MPVONBBBIKOLAE-UHFFFAOYSA-N 417.535 1.580 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CCC1 1763112583 SBSFOLJJPYSKCJ-LJAQVGFWSA-N 413.551 1.735 30 10 HDEE CCCNC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1764558840 XWEMPKUQPAFYQA-OAQYLSRUSA-N 418.542 1.975 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnc2C)CCOC1 1765878862 AIMGYIPHJFVKGD-UXHICEINSA-N 417.489 1.967 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1767766827 VCIBMJGHAAGXEN-IXDOHACOSA-N 424.571 1.615 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1770051774 PSSIWLXRBIGQDQ-LISAXSMJSA-N 407.515 1.934 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC[C@H]1C 1770631190 CHBLQPJNAIRDSM-PERKRYKHSA-N 410.522 1.745 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CC(C)(C)N1CCOCC1 1771109800 FMKBOXRLXDZVLQ-UHFFFAOYSA-N 413.526 1.817 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)CC1 1771535567 QWADUSMHADXILY-IRXDYDNUSA-N 402.499 1.412 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCOCC2CCOCC2)CCO1 1771538456 COUJPNGEVNGABQ-ZWKOTPCHSA-N 405.499 1.692 30 10 HDEE C#CCCS(=O)(=O)c1ccc(F)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772787780 CFVSBIKGKOPKET-UHFFFAOYSA-N 401.371 1.991 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CS[C@@H](Cc2ccccc2F)C(=O)N1 1772790366 QPTMWFBPHZYXRH-CVEARBPZSA-N 414.414 1.723 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)[C@H]1CCOC1 1851353586 VNBBKANBDKCPLD-HNNXBMFYSA-N 403.446 1.522 30 10 HDEE CON=C(CN1CC[C@@H](N2CCNC(=O)C2)C1)c1sc(-c2ccccc2)nc1C 1852498245 AKSMIQCCDQJHAU-QGZVFWFLSA-N 413.547 1.975 30 10 HDEE N#CCC(=O)NCCOC(=O)[C@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853147243 PRAILMBXDSMMHH-HNNXBMFYSA-N 410.478 1.398 30 10 HDEE NC(=NOCCC(=O)N1CCCC[C@@H]1CCN1CCOCC1)c1ccc(F)cc1 1853421313 CRNXOZKEMMLPFI-LJQANCHMSA-N 406.502 1.956 30 10 HDEE CC[N+]1(C)CCC(N(C(=O)CC#N)C2CCN(c3nccn(C)c3=O)CC2)CC1 1853471841 VJSDQKGFFQCMRJ-UHFFFAOYSA-N 401.535 1.120 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)cn3)C(=O)C2)C1 1853730137 ZBTDRAJSOAPENF-FQEVSTJZSA-N 411.481 1.620 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCC(Cn4cncn4)CC3)C2=O)cc1 1853748616 NDNPXBNNUKCZIM-FQEVSTJZSA-N 406.490 1.622 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ncc(Cl)cn4)C(=O)C3)C2)cc1 1854259179 WMISLVDSGBAFON-SFHVURJKSA-N 424.892 1.561 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)CC2=O)cc1 1854513144 KEFSZOWBFCDTNV-UHFFFAOYSA-N 403.382 1.054 30 10 HDEE Cc1oncc1C(=O)N1CCCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854831739 RNUVHHYFAYXLHX-GOSISDBHSA-N 408.462 1.593 30 10 HDEE CC(=O)N(C1CC1)C1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855104211 LTGLITIBUISGTG-HXUWFJFHSA-N 409.490 1.560 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)[C@H](C2CCOCC2)C1 1855104230 MJBGGPJNYNEFEA-PMACEKPBSA-N 411.506 1.127 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855587703 ORENCBPUEJKZNM-AWEZNQCLSA-N 401.492 1.490 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3CCOC3=O)C(=O)C23CCCC3)c(F)c1 1856567774 MUMUVUPFXYKLKQ-UHFFFAOYSA-N 414.437 1.633 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(Cc4ccncc4)CC3)CC2=O)c1 1856636951 XUICNZWZRIQTMY-HXUWFJFHSA-N 403.486 1.760 30 10 HDEE Cc1ccccc1OCC(=O)N1C(=O)CCN(S(=O)(=O)CC#N)c2ccccc21 1856912766 FKXNLRSCEFPNAR-UHFFFAOYSA-N 413.455 1.997 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127661 VDOWDDRBJRWBTR-GOSISDBHSA-N 400.523 1.802 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CC(Oc4ccccc4)C3)C2=O)CC1=O 1857251998 VMKZBBRHKDZLJU-XLIONFOSSA-N 411.502 1.692 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857282248 UPLLENBHYNBKRJ-UYAOXDASSA-N 413.518 1.722 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc(Cl)c2C)C1)[C@@H]1CCN(C)C1=O 1857300150 YUFVKBZWPMNFIF-WMLDXEAASA-N 404.898 1.751 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccc(OC)cc2)c(=O)cc1CN(C)CCO 1870647995 LYRFSRBOJYMOTP-UHFFFAOYSA-N 415.490 1.162 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)[C@@H]2COC[C@H]2O)[C@H]1c1ccc(C#N)cc1 1889306406 FQUACGRHJYPZMQ-RWQQGDIJSA-N 403.504 1.170 30 10 HDEE COc1ccc(C(=O)C=CNc2ccc(S(=O)(=O)NC(=N)N)cc2)c(OC)c1 2053496552 AWVVMCKKDMNTCP-UHFFFAOYSA-N 404.448 1.684 30 10 HDEE C#CC[C@H]1CN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2074733572 AZPULMWLFXMBNU-IFXJQAMLSA-N 408.451 1.065 30 10 HDEE C#CCN(C1CCOCC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230526 JQHVUWLAGHBWKC-HXUWFJFHSA-N 422.478 1.455 30 10 HDEE CCS(=O)(=O)[C@H]1CSCCN1c1nc(B2OC(C)(C)C(C)(C)O2)cs1 2116145504 PDNPYINDPMHOKN-LBPRGKRZSA-N 404.388 1.756 30 10 HDEE CO[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 2174785996 FEPWOLKGJKGOSK-SOUVJXGZSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174789745 UTBQJAGDHAPVJG-SYMLIENRSA-N 420.557 1.574 30 10 HDEE C[C@@H]1OC2(C(=O)ON3C(=O)c4ccccc4C3=O)CC1(NC(=O)OC(C)(C)C)C2 2241402658 XSTOLQDDENAXAR-LTHQXLHKSA-N 402.403 1.956 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243686278 KFYYMAGVUXOSHZ-UHFFFAOYSA-N 401.272 1.847 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2247778712 GVWUKTIIJVLSPA-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)OC1(C)C 2255632540 OEVNAOOSZMMJTG-QGZVFWFLSA-N 421.310 1.559 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2255699867 UBPGIRYBKBTONK-GAJHUEQPSA-N 420.322 1.780 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC4(CC3)OCCO4)c2)OC1(C)C 2255942188 MNUBDKBPYNDQHD-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[S@](=O)CC2)OC1(C)C 2267464469 IFMTVUBQTBNCPN-DEOSSOPVSA-N 405.372 1.190 30 10 HDEE Cc1nsc(CNS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2282305129 UIBMIFLBSDEOSW-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3COCCO3)cc2Cl)OC1(C)C 2282312857 CGMAZBRYNPYUJD-SNVBAGLBSA-N 423.749 1.394 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@H]3CN)c(Cl)c2)OC1(C)C 2282415329 GNLMFVBFGNYUDP-VXGBXAGGSA-N 400.737 1.512 30 10 HDEE CN(C1CC(O)C1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282872966 DWEPVOVHGGAYIB-UHFFFAOYSA-N 401.721 1.783 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284393133 HCKDIVJOZJRRFJ-KOLCDFICSA-N 407.294 1.445 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413570 LUXDGNQNFIKZND-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CS(=O)(=O)C1(C#CC2(OCC(=O)O)CC(NC(=O)OCc3ccccc3)C2)CC1 2342043151 IXJVJINQFCDRBL-UHFFFAOYSA-N 421.471 1.496 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2342049293 SQTORJXVHLQGGS-BJLQDIEVSA-N 421.515 1.744 30 10 HDEE CCc1csc(C#C[C@H](N)[C@H](O)c2cn(C)nc2I)n1 2363925321 VUXNEEUMXKWWKR-CMPLNLGQSA-N 402.261 1.456 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365192172 ATFUFSSJROMJNT-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365206329 GHUUFUZRPWGDPP-CLCXKQKWSA-N 402.557 1.681 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2ccccc2I)CCC1 2367832704 BYJBQNWAAAHKFQ-ZDUSSCGKSA-N 404.273 1.766 30 10 HDEE Cc1n[nH]c(NNC=C2C=C(Br)C(=O)C(Br)=C2)nc1=O 38167430 WFXPJDJVOLFRHT-UHFFFAOYSA-N 403.034 1.414 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cccc(-n2cnnn2)c1 63310030 CMORTYUDRVZLCJ-UHFFFAOYSA-N 400.420 1.947 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(Cc3ccncc3)CCC(=O)NCC2)CC1 257183456 RNNAEPADSLCXEQ-NRFANRHFSA-N 413.566 1.520 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 301405354 LGWNZYVUICTCFG-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 409503845 ZIBQSKQLHMBDJJ-VDGAXYAQSA-N 421.567 1.392 30 10 HDEE C[C@@H](C(=O)NCc1nc(-c2cccc(Br)c2)no1)n1cnc(C#N)n1 410004694 RXLRFPPZFMGYLU-VIFPVBQESA-N 402.212 1.840 30 10 HDEE C=C[C@H]1CCCCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 427668937 UDGXCXDDJJPTDD-KRWDZBQOSA-N 420.535 1.128 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 440390701 ZNTJKLXNTMJQCC-CJNGLKHVSA-N 411.483 1.672 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)ccc1OC(F)(F)F 443318488 ZIXMJHIVVIZIID-LBPRGKRZSA-N 403.382 1.722 30 10 HDEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443332360 XRMHEFHWLTYWFC-UHFFFAOYSA-N 403.435 1.875 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)cc1 444412709 RBPSINKOUKFAQB-QGZVFWFLSA-N 417.535 1.592 30 10 HDEE COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H]1C[C@H]2CC[C@H]1C2 447214514 WVBGFYDAMHFUEA-YEWFCNIMSA-N 405.520 1.889 30 10 HDEE Cc1ccc(C(=O)Nc2cn(Cc3ccccc3)nn2)cc1S(=O)(=O)NCC#N 447609354 XXYMVYKXUWLZPI-UHFFFAOYSA-N 410.459 1.689 30 10 HDEE CC(C)(C)n1nnnc1CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 463425456 SVKPVGGGLNBAEF-OAHLLOKOSA-N 404.496 1.670 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 465889476 GAMFURQWLNPKTL-UHFFFAOYSA-N 423.521 1.629 30 10 HDEE Cn1cc(C[C@@H](O)C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)cn1 468647162 COPXBVUENAKVQS-CQSZACIVSA-N 400.489 1.978 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)Cn1cnc(C#N)n1)c1ccc(Br)cc1 476847670 LGDKBRGGBDMNQO-MRXNPFEDSA-N 406.240 1.507 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1C#N 486004796 MFKLDOAADVIXNM-LBPRGKRZSA-N 405.270 1.387 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1nc2c(s1)C(=O)CCC2 487340669 QIEZQKOVKFQNCL-SNVBAGLBSA-N 404.473 1.839 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ncccc2C#N)CC1 506930132 LLAQMWAKXVRFFU-LJQANCHMSA-N 404.518 1.813 30 10 HDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508462008 RHSGYZBZPOZKEB-UHFFFAOYSA-N 413.873 1.120 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 513441696 DZNLRKZCVHVSFZ-UHFFFAOYSA-N 401.485 1.073 30 10 HDEE CCc1c(C(=O)N[C@@H](CCC#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 514035547 AWSJAIDTFHCOFK-KRWDZBQOSA-N 405.458 1.969 30 10 HDEE Cc1nn(C)c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1[N+](=O)[O-] 522895161 MXJAYYGRPHZWOH-ZDUSSCGKSA-N 400.420 1.662 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 524465438 YJCDXLWEYQGMJG-KRWDZBQOSA-N 415.538 1.344 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 531872484 MXNNCRGSAVFDOM-UHFFFAOYSA-N 407.474 1.982 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@@H]2C1 535889998 VRXCLIKEXGOROL-UWIFEVILSA-N 407.492 1.020 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542960303 XRUDWNHWEVKIMM-UHFFFAOYSA-N 422.898 1.897 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](CN2CCCCC2)C(=O)O)c(C(F)(F)F)c1 547890406 VLILCUJVLKMXCB-ZDUSSCGKSA-N 405.398 1.794 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H](Cc2cn(-c3ccccc3)nn2)C(=O)O)CCCC1 547899055 NLXVKNSZWYBUOR-MRXNPFEDSA-N 403.464 1.266 30 10 HDEE C=C(C)Cn1c(-c2ccccc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 549637072 JRKHGSRHDZBBOI-UHFFFAOYSA-N 421.505 1.950 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCC(=O)Nc1ccc(I)cc1 551392508 SJYOCZUSZULOEA-UHFFFAOYSA-N 408.199 1.870 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 566826010 YKCFKIJNPUHOBV-DOTOQJQBSA-N 403.508 1.658 30 10 HDEE COc1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)ccc1C#N 568685795 FYGYXGMVMHMYEY-UHFFFAOYSA-N 421.500 1.486 30 10 HDEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CCC1 578559374 FBUREWIUUFUQMW-AWEZNQCLSA-N 412.309 1.946 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 583276376 XLWAQTZAYZNLTG-AQNXPRMDSA-N 418.586 1.937 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(NC(=O)c3ccccc3)CC2)c(F)c1 586859141 UBXSFIWHWUVANO-UHFFFAOYSA-N 408.433 1.735 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(N)(=O)=O 609827301 OQUSZPLVRIVTAX-UHFFFAOYSA-N 400.464 1.263 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1 610958819 LGTREJRFOOAWCE-UHFFFAOYSA-N 401.423 1.883 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCN(CC)C1=O 619802406 BUAXJSFLRMKVSU-CYBMUJFWSA-N 410.268 1.835 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1c(C)cnn1[C@@H]1CCN(Cc2ccccc2)C1 679530400 HLHLCZVDKJYCQW-LJQANCHMSA-N 411.506 1.896 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCS(=O)(=O)C1 729334758 CJVJMMKLQGOOGT-INIZCTEOSA-N 408.501 1.027 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@@H]2CNC(=O)N2)cc1 732364719 VLZGLIMYHKGEBY-INIZCTEOSA-N 411.418 1.138 30 10 HDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 733200382 DNYHGWXZVZXUDV-SMDDNHRTSA-N 415.512 1.717 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 735852668 DIOJDGRTZVFHQY-VLGSPTGOSA-N 424.288 1.954 30 10 HDEE C[C@@H](CC(=O)N1CCN(c2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742464277 CRMSBOBPZGRXJY-INIZCTEOSA-N 412.515 1.853 30 10 HDEE N#Cc1ccc(NC(=O)COC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 749288001 AYZQZUQQXCZFJO-HNNXBMFYSA-N 419.484 1.955 30 10 HDEE C[C@H](CC(=O)NC1CCC(CN(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 749936196 VSRWFEITJXPRNR-QQFBHYJXSA-N 406.552 1.740 30 10 HDEE C#CCN(CC#C)CC(=O)N(CCCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 752075004 ITJLFORJWJGHRS-UHFFFAOYSA-N 421.501 1.281 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 756021783 CKPKFKFBZQNVKJ-XCHVRBFASA-N 405.405 1.369 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767883156 HBDNDOTWEMOFOY-UHFFFAOYSA-N 419.491 1.009 30 10 HDEE C[C@@](O)(CN1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 777538040 BAOWAZAMWMEZFK-HXUWFJFHSA-N 400.504 1.386 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCCC3)CC(=O)N2C)cc1 779319320 ZCXNXNQUQHVSMQ-SJLPKXTDSA-N 419.503 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCN2CCN(c3ncccc3C#N)CC2)CC1 788469725 IBAYWANFMLXJDY-UHFFFAOYSA-N 400.527 1.628 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790659908 ZDTVYEVHBNYURO-KDOFPFPSSA-N 401.529 1.612 30 10 HDEE C=C(C)CN1CCC(N2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 804161156 BPZYHMQDTCDQOA-FQEVSTJZSA-N 405.520 1.898 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C)[C@H]1CCS(=O)(=O)C1 809868235 BZJJMPBLQYUNCB-INIZCTEOSA-N 418.519 1.905 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCCO1 812263115 NVJDTFWWGOWOLU-HOTGVXAUSA-N 405.499 1.835 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)ncc1Br 1127370425 BDNKPGOFLDSTHL-UHFFFAOYSA-N 412.103 1.937 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1128796944 LXZLIRGDRVAIDJ-KRWDZBQOSA-N 407.268 1.395 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1129471539 PPFPUYQNAKAREL-FYIZZCSQSA-N 418.247 1.810 30 10 HDEE CC(C)OC(=O)[C@H](C)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1137105762 IJBQEESYKGJYFZ-OAHLLOKOSA-N 423.535 1.989 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1139811219 GXOKPPUZMJJYPL-XLIONFOSSA-N 420.444 1.968 30 10 HDEE C#CCN(C(=O)c1cnc2n(c1=O)CCS2)C1CCN(C(=O)OC(C)(C)C)CC1 1155358628 ADDZEIJPFZRWLL-UHFFFAOYSA-N 418.519 1.824 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1156592135 OXPGDCFZKFFFJM-QGZVFWFLSA-N 414.506 1.485 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)CC2)nc1 1160700397 NFMYISUXOFMLAF-ROUUACIJSA-N 400.479 1.739 30 10 HDEE CN(C)C1(C)CCC(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1171934263 FPIJOBSLNDUHOU-UHFFFAOYSA-N 406.552 1.884 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C)CCC2(CC1)OCCO2 1179762501 MWZBYEFMTZKLQG-HNNXBMFYSA-N 421.519 1.665 30 10 HDEE C=C(C)CS(=O)(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1213169758 OHNWVLFBJHXJHI-UHFFFAOYSA-N 416.544 1.183 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1224765010 YTFJXOYFYPKJAT-INIZCTEOSA-N 401.916 1.445 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1225938748 SGELHNHTACIRAJ-CJNGLKHVSA-N 416.482 1.450 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC(N)=O)CC1 1286356550 RRJURXMHDUCAFG-UHFFFAOYSA-N 414.535 1.775 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCn2nc(C)nc2C1 1286356685 SYDPAJIFCPUQSB-UHFFFAOYSA-N 410.507 1.603 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1286387377 QLRRPRFVGIAUHT-DOTOQJQBSA-N 417.560 1.720 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1nccnc1C 1286423057 QIGLKLLMEVWKLQ-QFIPXVFZSA-N 408.506 1.734 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C2CC2)CC1 1286474053 YLERYKCVSYAIGI-UHFFFAOYSA-N 414.535 1.286 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C3OCCO3)c2)CC1 1286488614 PBZPBLNFBSFXGT-UHFFFAOYSA-N 409.490 1.646 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)S[C@H](C)C1 1286781630 VXZSJVVEJJXFAA-OKILXGFUSA-N 415.523 1.558 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1287130334 BIFAMEVJSPUJGM-UHFFFAOYSA-N 411.510 1.503 30 10 HDEE CO[C@@H]1COCC[C@H]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1290116245 UICVRALITZOOAE-WMLDXEAASA-N 400.435 1.896 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccc(OC)cc2)c1 1291738289 KRWRUOZEMCOVCY-UHFFFAOYSA-N 414.483 1.652 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1293712495 DWNKIIFTHWVWGC-SFHVURJKSA-N 416.547 1.307 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2Cc2ccoc2)c1 1300332695 LCYXAUMCIYZNGQ-GOSISDBHSA-N 418.457 1.927 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1300482684 GNEPDNBWLKKBID-QGZVFWFLSA-N 404.540 1.693 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)CC1 1300700483 RBJOQNNJODRASZ-HPGBDJQBSA-N 405.568 1.229 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)C1 1300878040 ZMQMNLIFWHLOHH-WMLDXEAASA-N 402.886 1.911 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1)OC 1301014954 WJWQNOCVOXZHKE-CQSZACIVSA-N 402.455 1.407 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1)C1CC1 1301314065 MEUQBNPFOFFEIP-FZKQIMNGSA-N 409.512 1.544 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 1301486416 WCXKLVZJQJQGSI-QZTJIDSGSA-N 421.494 1.496 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCC(F)F 1303826671 BOOODYFKOPLTOP-GFCCVEGCSA-N 420.486 1.300 30 10 HDEE CC(C)N(C)CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1303835881 FXVOWDFEMCKAIY-PBHICJAKSA-N 415.539 1.061 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@]3(CCSC3)C2)CC1 1307867358 PTHZPQSJLSFKQM-VQIMIIECSA-N 406.577 1.665 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(CCCOC(C)(C)C)CC2)CC1 1308032493 FNPAORHJSSTZNV-HXUWFJFHSA-N 407.603 1.502 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)CC1 1310233621 CMBIYYGGJOFARR-UHFFFAOYSA-N 421.306 1.619 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@@H](C)[C@@H](C)NC(=O)[C@H]2C)c(C#N)cn1CCOC 1310522797 AKHMNHALEOHCOQ-FRRDWIJNSA-N 405.455 1.312 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1311071429 BSLAZQYUDKQCCL-UHFFFAOYSA-N 402.274 1.261 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1 1312300635 XAXSCFHJUAUNPX-HUUCEWRRSA-N 414.325 1.847 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1312991511 GRWUFKKSYMYPBY-UHFFFAOYSA-N 409.494 1.268 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H](OC1CCOCC1)c1ccccc1 1352234728 OJKDONQUHVVOIG-SFHVURJKSA-N 411.462 1.993 30 10 HDEE C#CCN(C(=O)c1nc(CCC)n(-c2ccccc2F)n1)[C@H]1CCS(=O)(=O)C1 1352905323 OSUXXWBHVMOISX-AWEZNQCLSA-N 404.467 1.621 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nn1 1357254681 NCUYBCUGFYTIKG-IBGZPJMESA-N 409.538 1.924 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358931664 IXKGBPYEGFWBTM-UHFFFAOYSA-N 402.524 1.195 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCN1CCCS1(=O)=O 1358944004 DDKRWPWFMIPHJU-UHFFFAOYSA-N 419.507 1.067 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1358944985 PNNNDIZYCPYNGX-FQEVSTJZSA-N 400.552 1.561 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cccnc2)n1Cc1nnn(C)n1 1359255765 JNMGYXIYWUIMHB-UHFFFAOYSA-N 412.461 1.976 30 10 HDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1359289047 XKMAKHUNFHYMCK-SFHVURJKSA-N 411.554 1.529 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1359335640 QJVCQNZNYUMEKM-VQIMIIECSA-N 412.556 1.767 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN2CCCC[C@H]2C1 1359336131 GIVAQYOSTAVUDE-DLBZAZTESA-N 409.556 1.405 30 10 HDEE Cn1cc(-n2cc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)ccc2=O)cn1 1437804067 UDPDYTFLQGYRHS-UHFFFAOYSA-N 403.442 1.878 30 10 HDEE C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439617282 TXQOQHGTJAUYLH-FFSVYQOJSA-N 402.394 1.869 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C#N)CO)c2)cc1 1449521294 RNQKAHKSFYJZER-HNNXBMFYSA-N 403.460 1.809 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1451871459 BAFRMWSKCTVWQV-QGPMSJSTSA-N 421.519 1.748 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1453936656 YCMCJCKOCCYNML-JLTOFOAXSA-N 423.469 1.432 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOC3=O)CC2)cc1 1456479218 VOKXSWCFTWWXEG-UHFFFAOYSA-N 405.476 1.045 30 10 HDEE C=C[C@H](C)ONC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1457906019 GVLRNKMBQRPGMG-NSHDSACASA-N 403.420 1.705 30 10 HDEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@@H]2c2cccc(Br)c2)CCOCC1 1459777852 WXTIVWLWGHPRNI-IRXDYDNUSA-N 422.323 1.993 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1460291521 XWQMEVGZADVOTP-KRWDZBQOSA-N 405.520 1.381 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1460523125 PIDDSMUOQQUZJR-SFHVURJKSA-N 419.547 1.620 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)c1 1464256875 BMXBXWGILDCUQM-UAGDZQSXSA-N 401.492 1.966 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2ncc(C#N)cc2Cl)c1 1465304300 HWZQRONLDFIQTR-UHFFFAOYSA-N 408.867 1.461 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1466149953 FSLWRNDVGSPOGN-LBPRGKRZSA-N 423.491 1.945 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1cnn(-c2ccccc2)c1I 1467456543 VKISYLRMKINVHL-ZDUSSCGKSA-N 409.227 1.981 30 10 HDEE C#CC1(F)CN(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)C1 1468194552 JLJLNTCASVBJQE-UHFFFAOYSA-N 412.444 1.809 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1469107132 DJKBPBFZMUBLBR-JZXOWHBKSA-N 401.488 1.087 30 10 HDEE C#CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1471520909 CFAGNQOYKDTMTN-UHFFFAOYSA-N 409.508 1.069 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2csc(-c3ccn(C)n3)n2)cc1 1471864044 CKEALTMLMSUJEU-UHFFFAOYSA-N 417.516 1.938 30 10 HDEE Cc1cc2c(N3CC(NC(=O)CCc4c(C)nn(CCC#N)c4C)C3)nccn2n1 1472390737 MCJHKZVKAYRTCT-UHFFFAOYSA-N 406.494 1.702 30 10 HDEE COc1cc(C#N)ccc1CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1473853904 LOTKPCUSVBZDEV-SJORKVTESA-N 421.519 1.785 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccccc3)n2)CC1 1477206072 ZWADESLKLHAXDX-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE CC#CCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1478463929 SBFIYTWCDNPKPK-XHSDSOJGSA-N 406.483 1.624 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CCC2(CC1)C[C@H]2NC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1479982165 FUDOAHFAFYYRGG-UTJFUGJHSA-N 401.551 1.805 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1[C@@H]1C[C@H]1CF 1497057233 SQRQBKCOSAJCPE-IAOVAPTHSA-N 403.506 1.904 30 10 HDEE CCCCN(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1500421975 AEURPHHHLVFYRP-WIYYLYMNSA-N 420.558 1.779 30 10 HDEE CCN1CCN(CCCCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1502351123 LSXUHLUUAHKCEL-HXUWFJFHSA-N 424.553 1.487 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1COC(C)(C)OC1 1503808499 HSZZHSSNFPGBOB-UHFFFAOYSA-N 412.494 1.788 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C1 1505101690 RPIBPTPGGJZBDL-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CCO1 1505321910 GANWICMBJBIHJI-RDJZCZTQSA-N 411.466 1.440 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1507541655 HPTRDHIRHRVNIH-CQSZACIVSA-N 424.530 1.783 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCOCC)c1 1507545812 BKBFVWZKLISJFE-UHFFFAOYSA-N 412.494 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1507654528 JRMUUXOFKZYHPN-UHFFFAOYSA-N 415.519 1.096 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@H](CO)O1 1507809391 UWLYOUDGVLVSMJ-JKSUJKDBSA-N 400.483 1.868 30 10 HDEE C=CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1507970027 CFAQFPHYLSTMME-UHFFFAOYSA-N 400.508 1.973 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1508160478 URRXKDDWXXJVBC-DLBZAZTESA-N 420.583 1.307 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508390294 WSFBFDCWSOYVHQ-QZTJIDSGSA-N 407.478 1.058 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C1CC1)N(C)C 1512357360 BKZRDYXHUFDXJK-BEFAXECRSA-N 407.522 1.824 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO 1513905932 HFHPTESLYHKEEZ-UHFFFAOYSA-N 412.538 1.823 30 10 HDEE CCCN1CC[C@H](Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)C1 1514847190 LOWTXAZQYYBXHQ-FGTMMUONSA-N 406.531 1.463 30 10 HDEE CCN(C)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1515367995 FDFRKHGGFZXWAD-HXUWFJFHSA-N 420.521 1.907 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)CC2)CC1 1516974568 HNWPNWIFEPEOPS-UHFFFAOYSA-N 407.522 1.827 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCSC 1517629380 WFDOBRPGZGTKIR-UHFFFAOYSA-N 408.553 1.555 30 10 HDEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1519063327 VUQRSVCWSMMQCF-OXQOHEQNSA-N 403.531 1.328 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC(=O)NCC(F)(F)F)CCO1 1521137264 NLRJJKZXBHMALS-GFCCVEGCSA-N 414.413 1.338 30 10 HDEE COCCOc1ccnc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1528054486 WUMLWIPAZBMJNC-UHFFFAOYSA-N 404.448 1.832 30 10 HDEE C#CCC1(C(=O)NC[C@@](C)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)CCOCC1 1531745153 GJVTZFLDVOWKOJ-ZUMYOTAESA-N 400.519 1.631 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1ccc(C#Cc2ccccc2)cc1 1537924122 SMSNOERDTHDKIN-UHFFFAOYSA-N 404.513 1.874 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1538577824 RWMHYWYBFCICQS-HUUCEWRRSA-N 417.528 1.236 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCC[C@@H]1C 1539172057 SOAQQVZIQHYEGL-NYHFZMIOSA-N 406.490 1.813 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1539178224 FQRPIQUJGCEAGI-OLZOCXBDSA-N 409.537 1.462 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1539323723 JWZYYGSJCOMGOF-SFTDATJTSA-N 413.566 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCNC(=O)c1cc[nH]n1 1539328408 RGUKLTJQHCLQQJ-UHFFFAOYSA-N 415.501 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOCC1(C)C 1539333972 RIUVNAOFNKOMRZ-UHFFFAOYSA-N 423.565 1.713 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCOC[C@H]2C)CC1 1539467600 WWKISEKAEIHKPR-QGZVFWFLSA-N 416.570 1.262 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540582943 BYMWEDNKUKAVSN-KRWDZBQOSA-N 414.510 1.153 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2C)CC1 1540871827 UYCVSROMQPUTCA-FQEVSTJZSA-N 424.549 1.715 30 10 HDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(C)CN(C)C1=O 1548189549 XMECAGHUHJYOLJ-AVRDEDQJSA-N 424.505 1.742 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CCC2)nnc1N1CCC(CO)CC1 1556022702 LWWPGDYTANZXEF-HTXNQAPBSA-N 400.483 1.281 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCC(CCCO)CC1 1556023057 RWOXXOZOBKSBJY-CZIZESTLSA-N 414.510 1.671 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1556375803 SMEBOWOXPWLHIJ-LIRRHRJNSA-N 400.472 1.120 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1557602732 FCMIYZCFMOWFAL-YHUYYLMFSA-N 406.479 1.160 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1c(Br)nc2n1CCOC2)C(=O)OCC 1557935361 YKTFJLFZRHVMCT-SECBINFHSA-N 406.664 1.980 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2oc3ccccc3c2COC(C)C)CC1 1558073580 VTAYDOKUEMXCFQ-UHFFFAOYSA-N 419.503 1.583 30 10 HDEE C#CCSCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1564114555 PGSFEVVZALAUAI-CQSZACIVSA-N 419.569 1.076 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1566389528 XRXFCGAOHPMMMW-RQMAVPSVSA-N 413.540 1.713 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)/C=C/c1ccc(F)cc1 1569842427 QWNZSVPUVNLTBH-NYYWCZLTSA-N 406.435 1.593 30 10 HDEE C=CCCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)nn1 1570566769 SSYQIKFACWCNJR-JKSUJKDBSA-N 415.498 1.721 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1570632482 PQHPKHCYTGJLNR-HIFRSBDPSA-N 417.897 1.143 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3ncccn3)CC2)s1 1584165625 VFFMHRWITZFZCH-UHFFFAOYSA-N 421.548 1.330 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NOc2cccc(C#N)c2)cc1 1587205536 XPJNWCLLQAELHF-UHFFFAOYSA-N 403.416 1.123 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1587783673 VBYNNQCAYDQQCR-QGZVFWFLSA-N 416.526 1.919 30 10 HDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1587788240 ZDNPXNOUVJQWRF-IBGZPJMESA-N 422.489 1.483 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587974908 FNZLIJXCRCQLBC-IBGZPJMESA-N 409.538 1.661 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1588045025 FQIRLNVSELQKCG-HNNXBMFYSA-N 405.549 1.720 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2COCCO2)CC1 1588864977 NYEWWSMAAUBDKN-FQEVSTJZSA-N 411.506 1.336 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2nccs2)CC1 1588876914 NQHJNBDAOJGBOA-WMZOPIPTSA-N 416.551 1.457 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CCCC2)CC1 1588923948 RMQAWAVHNKGWOD-KRWDZBQOSA-N 412.538 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2sc(C)nc2C)CC1 1588969176 WKOBXGINQXLMNT-UHFFFAOYSA-N 416.551 1.902 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1589557836 JHEUEPSVCVNGKX-MMOPVJDHSA-N 410.522 1.912 30 10 HDEE C=CCCCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1594566332 FQQUGTOVVTZBKC-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1595238999 CTTYWMGKRHCATB-MBSDFSHPSA-N 422.533 1.943 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595522367 CMBPBMLVEBXIST-OAHLLOKOSA-N 410.482 1.661 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCCCC[C@H]21 1595550727 ILTIPSDWPJCFJP-BRWVUGGUSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)C[C@H]1CCCO1 1595561864 FANDVIFKDNPXEV-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C(N)=O)CC1 1595812656 YISSQMZEIXZOAZ-UHFFFAOYSA-N 423.564 1.233 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)cc1 1616239076 JHHLTYDZXDSAHT-ZBFHGGJFSA-N 403.426 1.974 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1619865035 IXBCKNVMLJVTDA-CZIZESTLSA-N 421.461 1.426 30 10 HDEE N#CCCN(CCC#N)C(=O)CN[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1620153993 YAUXHAWKVFYHAY-OAHLLOKOSA-N 407.396 1.752 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCOCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1620350765 PBDGHUJYYAEPMP-INIZCTEOSA-N 409.450 1.032 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F 1622325339 RKZPNXRXHNOJSM-LLVKDONJSA-N 401.403 1.477 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2ccc(CC(=O)NCC(=O)OC)cc2)cc1 1622860371 LGFKWIRDFCRXSF-UHFFFAOYSA-N 409.442 1.852 30 10 HDEE C#CCC[C@@H](O)CNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1626047093 YPASCHGBDIZIJL-RTBURBONSA-N 403.523 1.902 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)cc1 1627839560 NIPWLDVWAQSYAH-UHFFFAOYSA-N 404.467 1.647 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1633118353 KANZCVPZIDQACG-MRXNPFEDSA-N 417.315 1.064 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccc(Br)cc2-n2cnnn2)cc1 1634104636 DELXYULHXTXMNC-UHFFFAOYSA-N 417.223 1.474 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N(CCO)CCNC(=O)OC(C)(C)C 1638558511 HZDSFYHCGDOYIE-UHFFFAOYSA-N 407.515 1.692 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1639638006 LVOYUMBENSKGHZ-GOSISDBHSA-N 401.444 1.849 30 10 HDEE CO[C@@]1(CO)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1640083420 ZDSUEOFRZGTIKF-FQEVSTJZSA-N 413.434 1.985 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(CNC(=O)c3cccs3)cc2)c(=O)nc1O 1641033761 HDXKYDATMOGVBQ-UHFFFAOYSA-N 423.454 1.242 30 10 HDEE CN(CCN1CCN(Cc2ccccc2)CC1)C[C@@H](O)CC1(C#N)CCOCC1 1645599859 XFFURQQCMJMBBV-QFIPXVFZSA-N 400.567 1.807 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CCO 1646010659 BEYODXHVNRPFQQ-CHWSQXEVSA-N 410.920 1.030 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](N2CCCC2)C[C@@H]1C(C)C)c1cc[nH]n1 1647875893 FEPMDUFCYAAYRP-DOTOQJQBSA-N 405.499 1.415 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)CCc2ccc(C#N)cc2)C1 1648016833 UGZCZYGSMLGLNT-UHFFFAOYSA-N 412.490 1.829 30 10 HDEE N#Cc1cccc(ONC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 1648729573 SIXIMIRCVNIVAI-UHFFFAOYSA-N 402.363 1.778 30 10 HDEE Cc1ccc2nc(CSCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cn2c1 1648790399 HLJZWFUVAGBPLN-UHFFFAOYSA-N 410.459 1.093 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)C1 1651092340 NUUVMHFPOYQVQS-UHFFFAOYSA-N 421.277 1.812 30 10 HDEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1 1652167816 UYUYYZVAZOVKPW-OAHLLOKOSA-N 416.459 1.643 30 10 HDEE Cn1ncnc1C1(O)CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1654685471 BSYQOMXKEDOTAA-UHFFFAOYSA-N 400.508 1.549 30 10 HDEE C#CC1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1664642564 QFVGHTUTGSGKTG-LJQANCHMSA-N 406.504 1.699 30 10 HDEE C=C(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c1 1665185154 VYRSRFGLQRMOMZ-UHFFFAOYSA-N 400.526 1.842 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)CCOCC1 1681177697 XJNSLNANOVHMCH-UHFFFAOYSA-N 407.536 1.993 30 10 HDEE N#C[C@H]1CN(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CCN1C1CC1 1687062210 HAJUGWNGNONPCC-RBUKOAKNSA-N 403.914 1.927 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1689933941 DKEOLANCIAJXFI-UHFFFAOYSA-N 407.522 1.078 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCC[C@H]1C 1689950960 HYBPPPTUJGAHAE-QRWLVFNGSA-N 402.520 1.969 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(CN2CCCC2=O)cc1 1689959774 MNGQWSVSDOFNRG-UHFFFAOYSA-N 401.474 1.975 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCC[C@H]1CO 1689969259 QMDCRPXAFGWIID-FQEVSTJZSA-N 421.549 1.823 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCNc1nccc(C(F)(F)F)n1 1690019932 VGSYTGXZIZWYLZ-AWEZNQCLSA-N 419.411 1.776 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1690227515 AUSVCFUGRJBFLH-ZDUSSCGKSA-N 411.304 1.243 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690510855 GZAILTZGKZKRSJ-KRWDZBQOSA-N 413.526 1.721 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1690669660 LMSWGAKHZPVLDU-UHFFFAOYSA-N 414.535 1.872 30 10 HDEE C=CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690733736 LXHSQEOQCPUJQD-INIZCTEOSA-N 422.599 1.884 30 10 HDEE CNC(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1697003984 RPTMNHYRMNNXBW-AEFFLSMTSA-N 404.478 1.558 30 10 HDEE CNC(=O)CCn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1697008744 PVLOHPQCTLDEMB-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1705494830 GOPHAWGKDITNHF-PBHICJAKSA-N 412.519 1.757 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1705569072 YUSAINCPHVPJLH-QGZVFWFLSA-N 419.551 1.384 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1705605317 HSRUKQAAXAIUMW-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1705605726 CLIAIQJRWOKENN-JOCHJYFZSA-N 405.506 1.861 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nnc(C)s1 1705627997 UZSUGQAJIFJODB-AWEZNQCLSA-N 403.512 1.108 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCN(C)C2)CC1 1705636988 FOJJSIJTVPUQDS-OAQYLSRUSA-N 414.941 1.420 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN2CC)CC1 1705649381 VUEQTDFKJRRZPU-SFHVURJKSA-N 409.538 1.723 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705735102 JHNMBSMCMZLNEX-INIZCTEOSA-N 402.499 1.611 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CS(C)(=O)=O)CC2)CC1 1705775513 BSGSKRFNBFEXGQ-UHFFFAOYSA-N 409.556 1.644 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(OC)c(C)cc2C1 1705901561 PCCDDOXRXHTIMQ-QGZVFWFLSA-N 424.505 1.411 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1706937033 FTRCGHCZJJXRKP-HNNXBMFYSA-N 408.466 1.458 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)CC 1708530378 BGHWOAPYBWWJFS-INIZCTEOSA-N 410.526 1.863 30 10 HDEE CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H]1C 1710217047 WGELQVQXBMKJQV-CVEARBPZSA-N 411.510 1.832 30 10 HDEE CN(CC1CCOCC1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711165130 NUZWZOFOVRNNGR-HTXNQAPBSA-N 400.483 1.545 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)c1 1711703710 YNRCQMRZZCPQNB-UHFFFAOYSA-N 408.418 1.411 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1712452732 NMBYOEKKIBXUDM-OAQYLSRUSA-N 407.478 1.662 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NC)c1 1722306155 OQDFXWYZPBHWJP-MNEFBYGVSA-N 411.506 1.868 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722313584 WWDLQGDBMRARQH-HXUWFJFHSA-N 406.490 1.962 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722356669 RHINNAAAGQPGGQ-KRWDZBQOSA-N 417.535 1.251 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCC2CC2)CC1 1722457969 AIOXRZATZVPRPA-QGZVFWFLSA-N 403.552 1.991 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCc1cnn(C)n1 1722475760 HJCOACANNOTLQE-OAQYLSRUSA-N 407.526 1.893 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703759 GVOFWFGCUKMAIR-UWJYYQICSA-N 421.542 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722727862 LWZHUMRKTMTTMH-OAHLLOKOSA-N 424.596 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1722728130 UHLABLSEXJDCJK-LJQANCHMSA-N 420.539 1.242 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722730241 MMUMDIVDYSMXLO-UHFFFAOYSA-N 423.583 1.572 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C 1723817893 HXGPUJUWIDWNSJ-OAHLLOKOSA-N 416.551 1.780 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1729313045 GVYYVLJQGFYELC-MSOLQXFVSA-N 410.478 1.667 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1729596641 DLWXBKCSGJKOJX-SJORKVTESA-N 415.542 1.250 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCN1CCOC1=O 1730829240 BTZJWXVGHVHLIC-INIZCTEOSA-N 420.514 1.974 30 10 HDEE C=CCO[C@@H](C)C(=O)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1736428258 VBVCZIDORIRZOQ-GIRNWQOFSA-N 404.507 1.219 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(CC)C(=O)C1 1740595133 MYJMSPRCGQPWOS-UHFFFAOYSA-N 414.535 1.742 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1740614635 YXNATEWBTVUONG-UHFFFAOYSA-N 423.926 1.615 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1740661654 HAPDMCCFSDFCJU-WBVHZDCISA-N 416.551 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cccc(NC(C)=O)c1 1740688829 VJXIGQHZNLOIJL-UHFFFAOYSA-N 424.505 1.493 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCC[C@H](C)C2)CC1 1740690232 HQRUCLHBQSKOIT-VQTJNVASSA-N 418.586 1.489 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740877109 YNWZXNJNWUIUQK-SJORKVTESA-N 423.583 1.889 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1740897026 QYDWWGFFFFZGOW-UHFFFAOYSA-N 400.508 1.894 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1740922121 VHQMPRIYYYDMPE-UHFFFAOYSA-N 421.552 1.482 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1741797995 CFNHPVMODMXIHF-VIFPVBQESA-N 405.264 1.346 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1741876963 HEAVZEARUXISES-FUHWJXTLSA-N 416.551 1.627 30 10 HDEE Cc1nnc(N2CCC(c3ccnn3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1742784350 CQZRUYKGVZZZDX-HNENSFHCSA-N 410.482 1.230 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1743196495 CMSIRIZTKXUKSI-HNNXBMFYSA-N 410.478 1.025 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748811835 MKCLYLJMJKWLPQ-OAGGEKHMSA-N 418.498 1.500 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-c1cnn(C)c1 1748824788 IGRCVXOJASSFRN-UHFFFAOYSA-N 415.501 1.938 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1748922663 HQBQPKPVHCMLIU-HNNXBMFYSA-N 401.467 1.661 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1748989171 HJAPECQHNVZXNL-JTSKRJEESA-N 413.497 1.584 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCOC2CCOCC2)CC1 1749008957 DRTXWMMUVFFAAC-UHFFFAOYSA-N 415.538 1.707 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1749158646 JYZBZYCWNXBJKZ-KRWDZBQOSA-N 422.555 1.474 30 10 HDEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749266176 DOIJHDHUDAUIKE-UHFFFAOYSA-N 408.934 1.279 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749268802 HJKXONKFURUXDD-LSDHHAIUSA-N 417.963 1.690 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1749291196 AELFTFOUWBPOLX-NRFANRHFSA-N 416.526 1.978 30 10 HDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749461133 NYIKKTRQSSKINY-CSODHUTKSA-N 419.526 1.238 30 10 HDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1749514406 AJAHSRROGRKJDN-HXUWFJFHSA-N 413.503 1.521 30 10 HDEE C=CCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1749643142 IZAWVLKAOLRORB-KNQAVFIVSA-N 418.586 1.721 30 10 HDEE C=CCn1c(N2CCN(c3ccc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1749646015 JRDDRDCPUQRMIU-FQEVSTJZSA-N 402.474 1.977 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1749652203 JPDBMPGDBPHOCV-WOJBJXKFSA-N 424.549 1.643 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCS[C@@H](C(C)C)C1 1749678048 UAEGKJFJTYDXDW-OAHLLOKOSA-N 406.556 1.281 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1749721438 JXSLJOYWRURMQV-AWEZNQCLSA-N 417.495 1.122 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@@H](C)C1 1749738114 GCXPCIWIZZXTDI-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1751276563 CJYASIYBAKFWKF-APWZRJJASA-N 407.540 1.737 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CCS(C)(=O)=O 1760221610 CYMWZQATUPHUAX-UHFFFAOYSA-N 400.504 1.407 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1760226906 NOIXPICKVKHQRT-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1760232971 HEOSDINYBLFYSG-KRWDZBQOSA-N 413.547 1.962 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)CC1 1760400965 VLZDUTNJZWFFBC-KRWDZBQOSA-N 402.543 1.742 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1760431623 WZISKFNGRXXPPO-SFHVURJKSA-N 404.559 1.931 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760526459 ACNQTMOPMZZFAO-SFHVURJKSA-N 413.526 1.415 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760680909 RRMYKHAQICHOPO-QZTJIDSGSA-N 401.515 1.222 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1761549244 TVDGLCJGFSLUKO-HXUWFJFHSA-N 414.535 1.634 30 10 HDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1766519338 SPBKCBNZGKZSKM-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)CC1 1771535047 BEOHLSHKTRCUIY-UHFFFAOYSA-N 407.400 1.682 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncccn1)C(=O)ON1C(=O)c2ccccc2C1=O 1772787294 DDATZKCWZKLLKL-AWEZNQCLSA-N 412.402 1.667 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)c3nccc(N4CCOCC4)n3)CC2)n1 1849307248 KZKNQLCXZSEZHA-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)CC2=O)cn1 1850618811 DQQFGYWYJXLJIT-QGZVFWFLSA-N 408.462 1.357 30 10 HDEE COc1ccc(-n2cc(CN3CCN(C(=O)c4ccc(C#N)cn4)CC3)nn2)cc1F 1851593474 KMKMGCZODDDFJQ-UHFFFAOYSA-N 421.436 1.640 30 10 HDEE C#Cc1cccc(NC(=O)[C@H]2CS(=O)(=O)CC23CN(C(=O)OC(C)(C)C)C3)c1 1852233188 MHARLUBHEZNYFB-MRXNPFEDSA-N 404.488 1.888 30 10 HDEE COc1cc(OC)nc(O[C@H](C(=O)N2CCN(CCC#N)CC2)c2ccccc2)n1 1853212488 JAKKWEAQUMESAQ-IBGZPJMESA-N 411.462 1.672 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(c4cc(-n5cccc5)ncn4)CC3)cnc21 1853249558 UJNFCKUZGOJPKH-UHFFFAOYSA-N 412.457 1.988 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CSCc2ccccc2)C1=O 1854186374 NZNAOGKCFMETLR-ROUUACIJSA-N 401.532 1.766 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1=O 1854218656 IWYMBNZEVWHXAQ-OALUTQOASA-N 415.490 1.172 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)CC2CCCC2)C1=O 1854880629 DZMDZUSUPDMGOU-IBGZPJMESA-N 410.522 1.957 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855042018 RFEWACFWTBWUTJ-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855065434 RBETYBYMCQPHAB-MSOLQXFVSA-N 423.579 1.464 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(CCn4cccn4)CC3)CC2=O)CC1=O 1855111581 FGCRWYJXACUWNO-OALUTQOASA-N 413.522 1.005 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cnccn2)CC1 1855573069 SGLJENNGVXMTBL-UHFFFAOYSA-N 412.471 1.937 30 10 HDEE C=CCCN1c2ccccc2N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@@H]1C 1856240454 OCXQOIBWUOHUQK-KBXCAEBGSA-N 419.503 1.324 30 10 HDEE C=CCN1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C(=O)C12CCCC2 1856262603 YRHBDOSSFSLQFZ-UHFFFAOYSA-N 417.487 1.001 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856532363 UTGHMGOBAWYFQB-FUHWJXTLSA-N 404.474 1.849 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1 1856956309 FMTGWIROQKJCDO-KRWDZBQOSA-N 407.478 1.667 30 10 HDEE Cc1cccc(C)c1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857167259 NWRBYISSVWPBAD-GOSISDBHSA-N 404.474 1.527 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2=O)CC1 1857274411 NALQTLUWNJJBET-IBGZPJMESA-N 405.458 1.268 30 10 HDEE CN(C)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)nn1 1857417586 CVODFDWQCXOEQU-UHFFFAOYSA-N 410.453 1.817 30 10 HDEE CC#CC(=O)N1CCn2cc(C(=O)NCc3cnn(C)c3)nc2[C@@H]1c1ccccc1 1857659824 HVPAGJIJSBNCPO-FQEVSTJZSA-N 402.458 1.502 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1858403570 PKWWOUIYKOQQGO-OAHLLOKOSA-N 413.455 1.979 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(CC)CC1 1861160413 DHHMMHLMYILWOT-HXUWFJFHSA-N 401.507 1.673 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)c1 1870143143 ZBJWFHFIXBZNFS-LBPRGKRZSA-N 416.397 1.771 30 10 HDEE CCc1nc(C2=C(N)N(CC3CCC(C(=O)OC)CC3)CC2=O)sc1C(=O)OC 1872725327 DAMVPXMQAVDMTR-UHFFFAOYSA-N 421.519 1.984 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccc[nH]2)o1 1874433411 UFKJSCYWRQUKIB-DNTJNYDQSA-N 402.436 1.796 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccncc1 1874434927 FKDYTEONEVWNAJ-WSDLNYQXSA-N 417.539 1.932 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(Cn3nc(C)ccc3=O)CC2)cs1 1889473107 IQGFXRLOCRSSJK-UHFFFAOYSA-N 401.492 1.476 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2cc(-c3cnccn3)nn2C)CC1 1891177236 MRIHRIPELMNPFY-UHFFFAOYSA-N 402.462 1.885 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010400000 UUCQDNCYLNQVNK-AWEZNQCLSA-N 423.319 1.545 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2012957598 BAKWGLSEEGFQBI-SNVBAGLBSA-N 402.293 1.706 30 10 HDEE CN(C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CCO1)C(=O)OC(C)(C)C 2118163689 SGPJOUHKRYWWFH-GFCCVEGCSA-N 401.510 1.876 30 10 HDEE N#Cc1cc(Br)cc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)c1 2118194537 MNHJNKXBGQFTPR-GXSJLCMTSA-N 419.201 1.679 30 10 HDEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174784969 TXSKGNVXLCGJCW-LSDHHAIUSA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1(C)C 2196367223 INRWODZBCFWLHS-RBSFLKMASA-N 400.545 1.996 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)CC1(C#N)CCOCC1)C1CCC1 2202434744 GWJBGNQFYHSALT-HNNXBMFYSA-N 401.529 1.920 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)C3CCOCC3)ccc2Cl)OC1(C)C 2241219505 FZMYDRIFNBBCPG-UHFFFAOYSA-N 402.709 1.955 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2243384145 KWHMHDUDLNYYIG-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE Cn1ncc(C(=O)NCCNOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2243423526 AKJSWJIBCDQFCF-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE C#CC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258159574 XLUSSSRTIXJLIT-QGZVFWFLSA-N 408.476 1.129 30 10 HDEE C=C[C@@H](C)CCN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2260396542 ABIMDPNVVYCZGK-WBVHZDCISA-N 412.508 1.928 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCNC3CC3)cc2Cl)OC1(C)C 2267356553 MSOSEXBNIADKKX-UHFFFAOYSA-N 406.766 1.731 30 10 HDEE C=C(CS(=O)(=O)NCCCS(=O)(=O)C(F)F)B1OC(C)(C)C(C)(C)O1 2267468812 NJBFEDKENSUNCS-UHFFFAOYSA-N 403.278 1.121 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCc3c[nH]c(=N)s3)c2)OC1(C)C 2267712257 CXHHCAKZCSPIRP-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270526175 JRFJLDWRVYMMTO-MRXNPFEDSA-N 424.475 1.139 30 10 HDEE C[C@H]1CN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)S1(=O)=O 2282029335 QNQFHGBKSIZRBG-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333139 KWZBCOTXMHWFCO-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333525 PXFDWBMZKXOLSY-CANCMXDXSA-N 401.359 1.421 30 10 HDEE CN1CCC[C@@H]1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333714 RVVJSAFOVJWJAL-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(C)(C)CN1 2282492775 SUEPKTIKUDAZCB-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CCC[C@@]1(O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496209 XCOVZTRJJJYBJD-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CS[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282508564 XXVOVSVUXPJNOV-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633557 ZYPRALSZKFFGJY-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@@H](C)[S@](C)=O 2282829874 LNXJMAKFNJHCNF-NDHGSNPTSA-N 421.415 1.791 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(C)COC2)c1B1OC(C)(C)C(C)(C)O1 2282840978 RCJASKAYXZCLNM-UHFFFAOYSA-N 401.359 1.979 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@@H](CCN)C3)c2)OC1(C)C 2282848087 IUYKLOJYYIDMSG-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2COC(=O)C2)OC1(C)C 2296241197 LJMZINDXVKOYOM-SNVBAGLBSA-N 401.677 1.233 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)C(=O)OC(C)(C)C 2300231223 URYFTKUFMLTWGZ-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccnc2)CC1=O 2327841640 XAUZFUCJIXONJR-ZDUSSCGKSA-N 401.496 1.247 30 10 HDEE C[C@@H](C#CC(=O)O)NS(=O)(=O)c1cc(Br)ccc1Br 2341191196 YWPZQKRSBXSBNX-ZETCQYMHSA-N 411.071 1.966 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(F)[C@@](C)(N)C3)s2)OC1(C)C 2362006229 YHZCAAADELSDEA-AWEZNQCLSA-N 408.301 1.404 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363703324 GFDQDLCXAATTIA-ZBFHGGJFSA-N 413.565 1.719 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 2365205843 VZBHBTYLVYQHGU-CVEARBPZSA-N 401.573 1.342 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC[C@H]1C 2365206886 JWYVBNKQZWVHME-SPYBWZPUSA-N 402.557 1.409 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365207870 ATHBWJCHJNCMPH-KXBFYZLASA-N 401.525 1.779 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245030 WZOJHWJYUFEUTQ-FZKQIMNGSA-N 405.513 1.976 30 10 HDEE COCCn1cc(C#CC(=O)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cn1 2366097466 UZPAJWYKGDVSIG-QFIPXVFZSA-N 411.458 1.614 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367816330 HMLUBOZNDIQSFM-HDMKZQKVSA-N 400.541 1.292 30 10 HDEE C=CC1(N[C@@](C)(C(=O)O)C2CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 2378877046 NXERXKYEKBWSSM-QGZVFWFLSA-N 402.513 1.420 30 10 HDEE N#CC1=c2oc(=O)/c(=C\c3cccc(F)c3)n2-c2oc(N)nc2[C@H]1c1cccc(F)c1 20437584 MXRGFFPKWMEUQO-BDBSJLECSA-N 418.359 1.927 30 10 HDEE C=C(C)COc1ccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCC(C)C)cc1 66229020 ADUVPGSRMYVITC-LJQANCHMSA-N 417.506 1.970 30 10 HDEE Cc1cccc([C@@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72444400 WPELCAJFSUDUBE-HOTGVXAUSA-N 421.457 1.645 30 10 HDEE O=C1NC(=S)N(c2ccccc2)C(=O)C1=NNc1ccc(S(=O)(=O)O)cc1 254508447 LZQDELQMCCCVCT-UHFFFAOYSA-N 404.429 1.149 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1F 317674249 BYEMWOCCBVPSFQ-NSHDSACASA-N 410.286 1.399 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 409512855 KNZFATMFOZDYLP-INIZCTEOSA-N 422.486 1.095 30 10 HDEE CCOc1nccc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 433589703 HUVJQMVYJBRFBO-UHFFFAOYSA-N 414.487 1.807 30 10 HDEE Cn1nc2c(c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCCC2 462362149 VNPJNGCUOKHKBB-UHFFFAOYSA-N 401.492 1.421 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 489914775 BBEIFRIJMWDKQA-CRAIPNDOSA-N 418.457 1.915 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2)nc1 489983287 LIQHQLDZCQBMEA-MSOLQXFVSA-N 406.446 1.707 30 10 HDEE Cc1nc([C@](C)(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)no1 497540963 YPWKRCLYSADCCE-ADLMAVQZSA-N 403.464 1.358 30 10 HDEE COCCOc1cccc(CNC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 506910944 OKSPFMJYRWXDIB-UHFFFAOYSA-N 409.490 1.417 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F 508104283 SQOIMEWKNIHKAB-LLVKDONJSA-N 419.834 1.312 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@H](C)C1 508478021 OTQYKFREXASNLB-OAHLLOKOSA-N 409.494 1.937 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508907336 MGUHBBRLPYYLIF-OXJNMPFZSA-N 400.483 1.342 30 10 HDEE CCc1c(C(=O)N(CCC#N)Cc2ccccn2)cnc2c1c(=O)n(C)c(=O)n2C 513778237 KGTUMOFDIKENFS-UHFFFAOYSA-N 406.446 1.146 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 523299679 YXAJMCQTDIIVTI-OAHLLOKOSA-N 401.463 1.586 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 523566570 AHKSKDATOODJNN-CQSZACIVSA-N 408.499 1.451 30 10 HDEE Cn1c(CCN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc2ccccc21 532468670 YPBUFCMGNIJUIQ-UHFFFAOYSA-N 409.515 1.994 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN(CC(=O)N2CCOCC2)CC1 533222500 VNFPXXPYJJWYCR-GOSISDBHSA-N 420.579 1.128 30 10 HDEE CN1CCN(C(=O)CC2CCN(CCC(=O)Nc3sccc3C#N)CC2)CC1 533377768 NDZZQAYTEYBRBE-UHFFFAOYSA-N 403.552 1.824 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2c[nH]cc(Br)c2=O)cc1 535562498 BLOOQKXONGQLOM-UHFFFAOYSA-N 410.249 1.563 30 10 HDEE C[C@@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)n1cnc(C#N)n1 538408630 ZRSBUTCXKBDJJY-AWEZNQCLSA-N 414.491 1.475 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN2CCOC[C@H]2C1 549265737 ITUQSSDOIDIARQ-GOSISDBHSA-N 407.482 1.018 30 10 HDEE C(#CCN1CCC[C@H](CN2CCOCC2)C1)CN1CCC[C@H](CN2CCOCC2)C1 551738438 IUJGDRMORQFFAF-ZEQRLZLVSA-N 418.626 1.078 30 10 HDEE CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)NCCN1CCOCC1 580058058 SYIONWXVVLCLKJ-QKLQHJQFSA-N 416.522 1.305 30 10 HDEE N#Cc1ccnnc1NC[C@H]1CCCCN1CCn1nc2c(cc1=O)CSCC2 585626820 RSKVRKBZPQGJPF-QGZVFWFLSA-N 411.535 1.661 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)S(=O)(=O)c1ccc(F)cc1 604071727 VZDCBGBNBHRHPX-CQSZACIVSA-N 402.451 1.603 30 10 HDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669812902 NEIHTLZBRMMATM-UHFFFAOYSA-N 410.931 1.713 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 702783932 JFNAMBFEPDMUJR-TZMCWYRMSA-N 415.899 1.718 30 10 HDEE COc1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c(OC)c1OC 727719463 QMUZVYZFFHFNHT-UHFFFAOYSA-N 405.432 1.390 30 10 HDEE CCCCCNC(=O)[C@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 732495111 QPLSPTSKIUVIEF-IEBWSBKVSA-N 410.474 1.477 30 10 HDEE N#C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCN1C1CC1 732649011 NUSDRVPWGGNWNX-DLBZAZTESA-N 415.881 1.744 30 10 HDEE Cc1cc(C)n(Cc2ccc(C(=O)[C@H](C#N)C(=O)N3CCS(=O)(=O)CC3)cc2)n1 732909461 ANRHPPOGODVJCU-SFHVURJKSA-N 414.487 1.128 30 10 HDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OCC 734026024 DBXXMNDGFIGCJN-UHFFFAOYSA-N 406.460 1.621 30 10 HDEE CC[S@](=O)CCNC(=O)C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C 735199153 KPPWNMQMSZVKOV-NDEPHWFRSA-N 400.460 1.877 30 10 HDEE CC(=O)N[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1F 741689130 AIOWUGWSPNQEAE-RAJOGRCSSA-N 406.389 1.175 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 742420136 ZMNPRLBZGFZUCB-LBPRGKRZSA-N 418.441 1.833 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nc1I 761160893 PCKXDQLIJVSPDA-NSHDSACASA-N 412.231 1.507 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccn(C2CCCC2)n1 770232920 CHEKZANKXFAVTD-UHFFFAOYSA-N 401.492 1.743 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(C)nn2-c2ccc(C)nn2)cc1C#N 773434890 HVWOBXIHSNTGII-UHFFFAOYSA-N 405.418 1.414 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H]1CCS(=O)(=O)C1 774190634 CUCHHJQEFJFKLR-SFHVURJKSA-N 405.520 1.496 30 10 HDEE C#CCN(C(=O)NCCc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 774212279 ZXNFUYLFVPDMCZ-AWEZNQCLSA-N 417.300 1.963 30 10 HDEE CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NS(=O)(=O)CCCC#N)CC1 776117487 RLXRXXQZCSMWQV-UHFFFAOYSA-N 406.508 1.700 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1ccc(C#N)cc1 784543363 XMJUORFWSIVZED-CEXWTWQISA-N 412.442 1.757 30 10 HDEE C=CC[C@@]1(C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)CCCN1C(=O)OC(C)(C)C 790581305 JJAJTCPNZYFBBB-VFNWGFHPSA-N 422.526 1.185 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 790679070 OMWVMXCTFQXKQS-SFHVURJKSA-N 400.454 1.098 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1nccn1C)n1cnc(C#N)n1 791304882 YOKHGHMVAGFTCS-UONOGXRCSA-N 414.470 1.265 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 800787661 KVBJWCMPIOPBEN-INIZCTEOSA-N 412.450 1.531 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C(=O)NCc1ccc(C#N)cc1F 804158646 AMDLVIAAWCHTEY-CYBMUJFWSA-N 404.442 1.781 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3F)C2)cc1C#N 804842016 GEZFJARKIKUGED-INIZCTEOSA-N 414.412 1.856 30 10 HDEE C#Cc1ccccc1CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 811454006 FEUASXHFDLGBGA-GOSISDBHSA-N 419.529 1.173 30 10 HDEE Cc1ccc(NC(=O)COC(=O)CC2(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 815417266 ZAWAGUJRSKUZFU-UHFFFAOYSA-N 421.475 1.192 30 10 HDEE COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 914578596 LBVCMVLWTFQLSU-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C#CCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 918755538 BZCKSEGIQVXHIJ-QGZVFWFLSA-N 406.504 1.974 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1135596657 GMDJQFYLBUGILQ-HNNXBMFYSA-N 416.950 1.691 30 10 HDEE C=CCN1CCC(NC(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1136669607 ITFRVRBKJZCGEP-NDEPHWFRSA-N 413.584 1.901 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1 1141378253 OYIRLNCFKCLVNB-OAHLLOKOSA-N 407.423 1.655 30 10 HDEE CON(C)C(=O)c1cc(F)ccc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1157148536 RXGBLFIONCKLKK-UHFFFAOYSA-N 420.422 1.248 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1161837947 RTHFCFCYLBJRAT-CZUORRHYSA-N 422.507 1.208 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCCc2n[nH]cc2C1 1168520634 IUFYQQIZALOFGV-QGZVFWFLSA-N 415.519 1.838 30 10 HDEE COC(=O)c1cn(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)nn1 1169091012 LCLJWQHZGIVZIP-UHFFFAOYSA-N 407.430 1.001 30 10 HDEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 1175668655 GDPQTXOOCVDCPE-CQSZACIVSA-N 402.447 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757148 KWFJFXXTFLGFBV-AVYPCKFXSA-N 423.535 1.563 30 10 HDEE C#CCOc1ccc(Br)cc1CNCc1nnc2c(=O)n(C)ccn12 1179473139 ONURYMNQSSHRDS-UHFFFAOYSA-N 402.252 1.492 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C 1185675629 RVTBZUMGWVNJEF-LLVKDONJSA-N 406.869 1.368 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C2=O)cc1 1189887680 BSFGSLXGZMJJGQ-INIZCTEOSA-N 412.427 1.484 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCc3ccccc3F)cc2)CC1 1192989358 LGTHCPUNPVUWRQ-UHFFFAOYSA-N 417.506 1.990 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OC 1213384725 BUDISPGIKIVPAC-CQSZACIVSA-N 408.473 1.373 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cc(Cl)ccc2F)CC1 1225297450 DEGQUPBIYLBQMF-GFCCVEGCSA-N 402.879 1.335 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3cc(=O)n4ccccc4n3)C2=O)cc1 1226111333 HYYYERKYTGURLX-GOSISDBHSA-N 416.441 1.561 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cc1 1230238611 YXCHRFGUYGXLGK-UHFFFAOYSA-N 415.500 1.708 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)c1 1255682914 CNGKZQUDGCXKDO-UHFFFAOYSA-N 400.479 1.560 30 10 HDEE CNC(=O)[C@H](CCSC)NC(=O)COc1cccc(Br)c1C#N 1274673343 DZBWVQNIRJPSTE-LBPRGKRZSA-N 400.298 1.683 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@@H]2CCOC2)cn1 1286304905 YOUPDULDBGVPQG-IEBWSBKVSA-N 422.537 1.998 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1286349664 LXKNIWIDEMJKHW-KRWDZBQOSA-N 408.510 1.177 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1286400217 ZNFTZBVJVRNXDE-AWEZNQCLSA-N 421.473 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1286412754 CXIRIVXXMREFGF-UHFFFAOYSA-N 415.505 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1286430374 HGIKQIHBDZILBO-QZTJIDSGSA-N 416.547 1.460 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286446360 FVQHJNPGJVWFKV-FMQUCBEESA-N 405.462 1.250 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286606244 KJVOWOUOJXEOKH-MRXNPFEDSA-N 416.526 1.271 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1286686529 AESSFEWHYLESPB-KZNAEPCWSA-N 424.567 1.921 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)n(C)c2=O)C1 1286803234 CCVPNWLWQKICHQ-SFHVURJKSA-N 409.494 1.515 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC2CC2)c1 1290393538 ZBTHOGNNNLXQQR-QGZVFWFLSA-N 406.529 1.525 30 10 HDEE CCc1nnc(N(CCC#N)CC2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1292883903 GMUDJBKXVHAROX-UHFFFAOYSA-N 402.524 1.861 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(O)(C(F)(F)F)CC3)C2=O)cc1 1295146271 JVVFMVRXZFBKPX-AWEZNQCLSA-N 424.379 1.679 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1cccc(F)c1 1298573363 LLJJQYGGSFLTPI-INIZCTEOSA-N 419.478 1.364 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](C)O 1298581087 COFOPYZXVHSFSN-PZPWOCDFSA-N 408.454 1.385 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC(F)F)CC1=O 1298891049 PCYYDGMYUDSRQJ-UHFFFAOYSA-N 404.421 1.767 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1299110680 LVPVOXOTGOYLLS-UHFFFAOYSA-N 412.494 1.178 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(F)cn2)CC1 1300357313 MURZJSNRZWHJPE-KRWDZBQOSA-N 411.485 1.893 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300417458 UYQFKSKXCFQIDG-INIZCTEOSA-N 422.580 1.565 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300489583 PMMVPRPVBDEKDB-QZTJIDSGSA-N 402.520 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1300506572 VCDFWKOVKQQDDS-UHFFFAOYSA-N 414.473 1.508 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C)C(C)(C)C1 1300522683 LYJRCVUSOOQRHC-UHFFFAOYSA-N 415.545 1.916 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(OC)c1 1300529953 SOXZCDDMZPAASB-UHFFFAOYSA-N 415.457 1.247 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(O)CCOCC1 1300673741 XOYJZXGZSWUHSK-UHFFFAOYSA-N 402.470 1.636 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1300681877 DPNOPGNBFWAIRU-HKUYNNGSSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(O)(CC)CC)CC1 1300703942 WNNCCIIRCPNCRU-UHFFFAOYSA-N 421.549 1.823 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1300980244 GREYJZGPTYRFIK-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1300999475 CWWOFJKUTFJAMM-UHFFFAOYSA-N 410.478 1.648 30 10 HDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)C1 1301221234 ITZZLVNSFLULQE-UHFFFAOYSA-N 410.526 1.697 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(nnc3C(C)(C)C)C2)s1 1301254606 PREDYWGJQVYTRD-UHFFFAOYSA-N 423.564 1.686 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1)C1CC1 1301327293 PRUNHZINCQWKPK-MRXNPFEDSA-N 421.567 1.738 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1301527123 UXQLNTAUZFOQHR-UHFFFAOYSA-N 419.551 1.972 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@@H]1C 1301569208 SUWSCQPPXQSMES-DOTOQJQBSA-N 411.572 1.709 30 10 HDEE CC(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301914238 NPQOGDNMDAMHJE-OAHLLOKOSA-N 411.514 1.304 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cc1 1302832434 LJKDIDAGYSXMOT-MOPGFXCFSA-N 407.536 1.259 30 10 HDEE COC(=O)c1ccnc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1 1306833678 IZXKEQMZLCOOSM-UHFFFAOYSA-N 405.208 1.665 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Br)cc2C)CC1 1309696316 JVPPATDDOPZBRI-UHFFFAOYSA-N 403.254 1.815 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)C1=O 1311323174 WWNVMEGQGQKLGM-QGZVFWFLSA-N 411.462 1.551 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1315022027 UVMAUAASHMFGOV-UHFFFAOYSA-N 408.466 1.544 30 10 HDEE CS(=O)(=O)CC1(Cn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1316340918 ALPJZMMEOAYNMB-QGZVFWFLSA-N 405.459 1.002 30 10 HDEE C=C[C@@H](COC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1320310111 GHCOYKMUYSIITF-DZGCQCFKSA-N 417.325 1.919 30 10 HDEE O=C(NCc1c(F)cc(F)c(F)c1F)C(=O)NC[C@H]1CCN(CC(F)(F)F)C1 1321733472 LXQWOYUPRWYQMY-MRVPVSSYSA-N 415.309 1.860 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1358937400 UALSOASJBLVJDJ-FAJBIJEISA-N 401.511 1.663 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358966984 ATLDMTVUOSNYSS-MRXNPFEDSA-N 404.492 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1358971603 BHCMIPRMPBUUGN-UHFFFAOYSA-N 423.445 1.169 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](COC)OC)CC1 1359045067 VSTNZSNJMWYPNH-ROUUACIJSA-N 419.526 1.147 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359126336 MRFMRYUVDFJPDM-ROUUACIJSA-N 420.558 1.166 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1359299663 KPJSWOSTIYWZCY-ZWKOTPCHSA-N 424.505 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359326503 BPQRUQLDAMTLET-NVXWUHKLSA-N 411.572 1.697 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359630866 HWMLPPKASDSGGG-INIZCTEOSA-N 423.521 1.646 30 10 HDEE CN(C)C(=O)Cn1ccc(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)n1 1360021049 VMASWYPOEJHSFZ-CQSZACIVSA-N 406.487 1.887 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)OC(C)(C)C 1360206684 DRSWWYSGPNXCPH-SFHVURJKSA-N 409.466 1.383 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCN1CCCS1(=O)=O 1438220290 WBOMWUDXPJYSAS-CQSZACIVSA-N 402.517 1.115 30 10 HDEE CCOC(=O)[C@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1439198261 BOHRJQAKXDJTPI-AEFFLSMTSA-N 422.503 1.995 30 10 HDEE COC[C@@]1(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CN(C(=O)OC(C)(C)C)CCO1 1455037259 GCYKYMZHVKUVFV-PGRDOPGGSA-N 415.490 1.794 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1455705110 NINMCQCPDYDYFJ-MOPGFXCFSA-N 413.518 1.309 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](c3nc(CC)no3)C2)cc1 1456719390 FKTLWOLFWUVKKV-CABCVRRESA-N 402.476 1.610 30 10 HDEE C[C@H](CC(=O)N[C@@H]1CCC[C@H]([S@](C)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1457937208 GVHLEIYBOXTCEJ-CJFQSGKJSA-N 411.549 1.310 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3=C(CCC(=O)N3)C2)CC1 1460411646 RTEXHBOTRAOUBO-HXUWFJFHSA-N 411.481 1.404 30 10 HDEE C[C@@H]1c2nncn2CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466884275 PVRHWVMPOWGRBH-OVCBBOEUSA-N 400.483 1.968 30 10 HDEE N#Cc1cn(CCC(=O)N2CC(Cc3cccc(Br)c3)C2)c(=O)nc1O 1470779054 GBHWDMHEROUHDW-UHFFFAOYSA-N 417.263 1.674 30 10 HDEE C#CCN(CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)C(C)(C)C 1473809871 ZFOFWPXGZGCIAT-UHFFFAOYSA-N 411.506 1.666 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)[C@H]1CCOC1 1503414800 ZAZZWBUVUQGPBV-INIZCTEOSA-N 401.492 1.619 30 10 HDEE COc1ccncc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1504453188 HBSCLBBFYBCKAV-OAHLLOKOSA-N 420.433 1.106 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)CCO1 1504578578 DEFMHMCBMHBWHB-MSOLQXFVSA-N 401.467 1.330 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@H]1COCCO1 1504944912 WBAGEJKIMXCURP-LPHOPBHVSA-N 415.494 1.926 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CCO1 1505322069 HWPKSCIFXVBRTK-GOSISDBHSA-N 424.436 1.646 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@@H]1C(=C)C 1507612505 WHJAJNWLDGXNIN-IEBWSBKVSA-N 404.478 1.971 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1507619902 FICATQNSBNSYKA-UHFFFAOYSA-N 410.503 1.223 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1507678880 ODODRVPMCJGYAW-FQEVSTJZSA-N 403.483 1.961 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CCC)CC1 1507718139 CCIZSBWPYBFGOM-FGZHOGPDSA-N 419.570 1.625 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507749646 XJLWBYOOGITSLG-GOSISDBHSA-N 406.515 1.994 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1507796055 GQTQDODPGRQGNH-JXFKEZNVSA-N 405.543 1.929 30 10 HDEE C=CCCCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507931729 FCRDRLBEHVZQFF-OAHLLOKOSA-N 412.469 1.588 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1cscn1 1508132190 VTSUSHDPIPRFHK-UHFFFAOYSA-N 412.541 1.110 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCOCCOC 1513969859 CCKFWCHFOCJZIW-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(C)(C)N1CCOCC1 1519275887 GOQNPNREUJUZMR-JXFKEZNVSA-N 424.521 1.555 30 10 HDEE N#Cc1cccc(C2(NC(=O)CCn3nnc4ccccc4c3=O)CCOCC2)c1 1529259814 OVPWSVHFBGJFCO-UHFFFAOYSA-N 403.442 1.875 30 10 HDEE Cn1nccc1[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1530750601 DLCQBQJHMNHJIC-DNVCBOLYSA-N 423.473 1.844 30 10 HDEE CCc1cc(=O)n2[nH]c(NC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)nc2n1 1534148262 HEKLHSOFQCPFMZ-UHFFFAOYSA-N 409.425 1.846 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cn4ccnc34)C[C@H]1CS(=O)(=O)C2 1537005802 MOUINKDHRJFNPB-ZUZCIYMTSA-N 409.265 1.107 30 10 HDEE N#C[C@@]12CN(C(=O)CN(C(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1538539875 NXQTYJBAHPMRRJ-AVRDEDQJSA-N 423.494 1.730 30 10 HDEE C#CCCCn1c(C)nnc1N1C[C@@H](C(=O)OC)[C@H](CNC(=O)OC(C)(C)C)C1 1539095332 CNBIKWJIARTJLH-HZPDHXFCSA-N 405.499 1.750 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1539201711 CDYIZRLHGQWNSG-IRXDYDNUSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539202913 MEKWWPGODGLPID-MSOLQXFVSA-N 421.611 1.934 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1539222330 VMXGJQHTIGAGLM-DLBZAZTESA-N 418.523 1.112 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539226284 WZCBIXXXBBSPGX-QGZVFWFLSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539311767 ZWVILFYDAIKFNA-KRWDZBQOSA-N 412.519 1.085 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC12CCOCC2 1539401304 ZQXAMKIGLYIKAS-PGRDOPGGSA-N 418.538 1.833 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1539558317 FQUIFHZHEBPCDP-HTAPYJJXSA-N 424.480 1.988 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539751354 LOCBYRQCGPZAOY-UTKZUKDTSA-N 416.526 1.860 30 10 HDEE C=C(Cl)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539805056 DXMQVRTWJXECML-UHFFFAOYSA-N 413.906 1.842 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1Cc1c(CC)nn(C)c1OC)C1CC1 1540095012 VCYXSSZTHQIRGU-UHFFFAOYSA-N 401.515 1.924 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1nnn(C)n1 1540147016 IQOLBVOLWLIMEX-UHFFFAOYSA-N 413.511 1.226 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1541090510 UCUHJMNYWXFXLU-LJQANCHMSA-N 421.505 1.796 30 10 HDEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1541092288 UERLDFQZVVUEPZ-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cc1 1542483766 ZDCKBSZXUPNFMW-RXVVDRJESA-N 413.478 1.700 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(N4CCN(C)CC4)CC3)CC2)o1 1557981385 BPAFGQHSIAAMKP-UHFFFAOYSA-N 400.527 1.310 30 10 HDEE C#CCN(C[C@@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C1CSC1 1559985828 BSSVAUXFKAMUBM-QGZVFWFLSA-N 401.488 1.449 30 10 HDEE C=CCN(C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C)COC 1563505208 PPSXZKXHUZHRKC-INIZCTEOSA-N 411.524 1.440 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cn2nccc2N)CC1 1565662221 YRFMUEVFXGKLOU-OAHLLOKOSA-N 403.284 1.637 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1569044254 PYKMAWXLIWMWQJ-DLBZAZTESA-N 417.510 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)C#CC4CC4)CC[C@@H]32)CC1 1570326298 DUCRBLSYWIXACD-ROUUACIJSA-N 416.522 1.794 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CC(OC)(OC)C2)[C@H]1C(C)C)c1cc[nH]n1 1570877750 HZTDKACHSIPFDZ-QGZVFWFLSA-N 422.482 1.330 30 10 HDEE C#C[C@@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1585149099 SVFWXPJLEPMDPU-HJWYETAXSA-N 412.552 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1587676988 ADIVSFVVYAIXOE-LSDHHAIUSA-N 405.499 1.881 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 1587861672 PLYKBRPJWGCBQX-QZTJIDSGSA-N 421.567 1.817 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1 1588558920 BLGFJMVATNNEKM-UHFFFAOYSA-N 421.480 1.961 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1588764712 CYDXLJUIHSMMKJ-QGZVFWFLSA-N 406.504 1.134 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)C2CC2)CC1 1588954254 BVJBZUBLKKYTMU-HSZRJFAPSA-N 422.533 1.391 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)C2CC2)CC1 1588954255 BVJBZUBLKKYTMU-QHCPKHFHSA-N 422.533 1.391 30 10 HDEE C=C(C)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1593654983 QDMIIRNQHSEKJV-UHFFFAOYSA-N 402.524 1.912 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)CC1 1594408137 FBAGNOVZOJCIRT-GOSISDBHSA-N 403.527 1.999 30 10 HDEE C=CCN(c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1)C1CC1 1595061879 CJQWMDFMTVCSSW-UHFFFAOYSA-N 411.597 1.764 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1595381835 ZHCZUMQEOOSHMF-MSOLQXFVSA-N 424.553 1.738 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C)=C(Br)C1 1595529962 OCQQLJAQOTVHCY-UHFFFAOYSA-N 418.299 1.916 30 10 HDEE C#Cc1ccc(C(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)nc1 1595583424 LCTDRZFMARGTGW-QGZVFWFLSA-N 401.463 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C)C1 1595776454 AFOXPMKHESQNFP-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1595796769 BZDXEECNJQDSHM-OAHLLOKOSA-N 422.511 1.416 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@]2(C)Cc2ccc(F)c(F)c2)C1=O 1597386554 WUOAZTCNQJQLHB-HXUWFJFHSA-N 405.401 1.865 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCSCC2)C1 1611765016 CQNMCDZVZQBNSY-HXUWFJFHSA-N 417.583 1.693 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 1617735495 PJCJTZYPJTYNER-RDJZCZTQSA-N 401.492 1.477 30 10 HDEE CN1C(=O)NC2(CCN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CC2)C1=O 1618376759 AAEXQMKKTTVTSX-UHFFFAOYSA-N 423.477 1.108 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN3Cc4cccc(C#N)c4C3)C2=O)cc1 1619411053 QMTGUIQXXFDPAO-QFIPXVFZSA-N 419.441 1.381 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1619614914 RWXFQEVRWHZGMI-GOSISDBHSA-N 422.468 1.918 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cnn(C)c1I 1622080755 IFBILNXFPLUXCH-GXSJLCMTSA-N 411.265 1.284 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1625437340 NHENBSKGNXGKQB-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE CS(=O)(=O)Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)oc2ccccc12 1627264682 GSOINOXXDNXZJP-VLGSPTGOSA-N 417.443 1.234 30 10 HDEE Cn1c(S)nnc1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1628597129 NSDKINFDIUBMIE-UHFFFAOYSA-N 421.324 1.533 30 10 HDEE COC(=O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 1628869754 ANAMGUYUHZVBFE-UHFFFAOYSA-N 421.519 1.840 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCN([C@H](C)c2ccccc2)C1 1630869025 ONUCPDVTPKJREW-APWZRJJASA-N 409.490 1.895 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C)C1 1633634035 QLGHMKOYOORFOK-KBPBESRZSA-N 421.339 1.670 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O 1634126602 FSDRQNMWHOOULG-UONOGXRCSA-N 411.890 1.678 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1 1635238689 VXHNIUAAAFAHPC-MFKMUULPSA-N 408.373 1.756 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1636624160 YAUGNTIKRWAISF-DMPWYTOCSA-N 420.465 1.481 30 10 HDEE C[C@@H](NC(=O)Cn1cc(C#N)c(=O)c2cc([N+](=O)[O-])ccc21)C(=O)N1CCCCC1 1640906800 WNXNTBWYROUSMG-CYBMUJFWSA-N 411.418 1.299 30 10 HDEE COCCN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1642107907 XBWPGVWDHMVXGJ-QGZVFWFLSA-N 423.267 1.215 30 10 HDEE C#CCN(CC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N)CC1CC1 1642307487 IDSJBPBDGWOECO-UHFFFAOYSA-N 423.517 1.668 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1642608228 VLJZSNFRJUXQIK-IBGZPJMESA-N 417.491 1.032 30 10 HDEE C#CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 1643127183 DEALFYCGYFFWSH-UHFFFAOYSA-N 405.520 1.368 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)C1CCC(F)(F)CC1 1643284394 CWYZIRHDCAZKMV-LBPRGKRZSA-N 413.446 1.736 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1 1643372582 RUZXOTINQBPPMJ-UHFFFAOYSA-N 409.817 1.584 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)n1 1643726098 VULJVOGCEFTURJ-MRXNPFEDSA-N 402.476 1.724 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](C(F)(F)F)CC1 1644820961 AXWVVIMCJHGIBQ-FZMZJTMJSA-N 405.398 1.405 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 1645772235 VHLLHPYVODKOSS-OAQYLSRUSA-N 415.490 1.700 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)CC1(C#N)CCOCC1 1652350747 OEGBIFWBXHMRSL-KRWDZBQOSA-N 410.536 1.862 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1655205432 HTLJQZBUTVWZDG-WMZOPIPTSA-N 416.526 1.068 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(C(=O)OC)c([N+](=O)[O-])c2)n1 1655207667 WNAHMHGCPKOTNZ-UHFFFAOYSA-N 406.420 1.422 30 10 HDEE Cc1nc(-c2cccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2)cs1 1655770852 RHRCKMBNOLNMDL-HNAYVOBHSA-N 416.528 1.927 30 10 HDEE COCCN(CC(=O)Nc1c(C)cccc1C)C(=O)Cn1cc(C)cc(C#N)c1=O 1656640973 GXRIHHSFOOGAFI-UHFFFAOYSA-N 410.474 1.759 30 10 HDEE COc1ccc(Cl)cc1Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1656779306 VGRWCKHZZUUSDQ-UHFFFAOYSA-N 405.838 1.934 30 10 HDEE C#CC[C@@H]1CCCN([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1659142981 YSPOCNRDKLOKHA-VQTJNVASSA-N 417.575 1.952 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@](O)(Cc3nc(CC)no3)C2)c1 1659490639 XBBKFGPFCLUQFO-NRFANRHFSA-N 411.462 1.331 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)OC1CN(C(=O)OC(C)(C)C)C1 1662840947 FAAABOXUZOWVSS-ZDUSSCGKSA-N 402.455 1.615 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2 1664197916 ABYJSRMIFNJMRO-VIFPVBQESA-N 403.361 1.892 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)C1 1685180078 GHEZFZOEUVVDPP-YCPHGPKFSA-N 407.458 1.235 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1690020132 ZFQXKIHLUKMOAY-RTBURBONSA-N 417.579 1.375 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N(C)CC)CC1 1690117263 AUSJOZIIRBGZKX-UHFFFAOYSA-N 401.902 1.227 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690188958 QYWLAKMUAYEKOE-JJXSEGSLSA-N 422.507 1.483 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2ncc(F)cn2)CC1 1690299126 GIRMIGSARLMKKX-RDJZCZTQSA-N 417.489 1.834 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1690299459 RZVOHMRKUQPKMJ-SFHVURJKSA-N 420.558 1.310 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1690432618 HUQMEUPHIMCFNR-INIZCTEOSA-N 423.583 1.874 30 10 HDEE C=CCCCCn1c(Nc2cnn(C)c2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1690469711 ZBVPNTWLQBPXEY-HNNXBMFYSA-N 409.516 1.444 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690667897 LPPOGRQGXIANEE-MRXNPFEDSA-N 413.526 1.327 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1CCOC1 1692787350 YIBJIISUXXZPHK-RLFYNMQTSA-N 410.544 1.445 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1692847912 JLTDXHIBRJLBBC-JKSUJKDBSA-N 407.540 1.737 30 10 HDEE CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)OC 1694261509 HJZDDETXHWSGTE-OAHLLOKOSA-N 413.482 1.859 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCOCC1 1696335778 CAIDEHGZCLDDTM-IBGZPJMESA-N 417.558 1.104 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1696337221 PTNOSXNDFWLZOX-ROUUACIJSA-N 404.515 1.187 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCCC2)CCO1 1698492413 CIGWPYKIPCRSSV-INIZCTEOSA-N 412.469 1.782 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1705548926 ZYKNAGIWTIOMGB-UHFFFAOYSA-N 402.476 1.363 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(=O)N(CC)CC)CC1 1705639001 DDLVWFNBZPYCNM-IBGZPJMESA-N 416.570 1.924 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)C(C)(C)C)CC1 1705642083 GGYNDRVKJPNSDZ-IBGZPJMESA-N 413.570 1.956 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCC(=O)NC 1705695764 ZCTZQHRTGUBBBB-SJLPKXTDSA-N 418.542 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCSCC2)C1 1705914448 MVRWMOKOUQNIGT-MRXNPFEDSA-N 408.572 1.246 30 10 HDEE Cc1cccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1707585757 NIKCQYRWFWRZDJ-UHFFFAOYSA-N 415.479 1.147 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1712884176 HZCVBGLNIHQFIY-GJZGRUSLSA-N 402.480 1.036 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1722285930 ADEMNKYXSNBVDV-ZHRRBRCNSA-N 413.522 1.877 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1722293472 NFOOWUBWQTXHAQ-INIZCTEOSA-N 404.478 1.473 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722351634 AKMVEQLZKKWXKK-PMACEKPBSA-N 422.533 1.681 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1722367115 LXKIPPGPARTMNQ-IXDOHACOSA-N 408.568 1.918 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@H]1C 1722466717 CYGKPFPBUDSWKI-JTDSTZFVSA-N 408.572 1.365 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1722536779 HIPRRVFFMVLUHJ-KRWDZBQOSA-N 406.531 1.964 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@H]1C 1722581144 AXCOEAOEQQBPFX-UONOGXRCSA-N 412.560 1.158 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722617388 JEPAEDPLCYEVMZ-YCRPNKLZSA-N 416.526 1.953 30 10 HDEE C=CCOc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1722706538 VFXJSAJBNQNQKQ-LJQANCHMSA-N 422.489 1.838 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1727835107 ILKMIXMNSHLUKS-VGOFRKELSA-N 424.505 1.822 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1729806529 AVBKTYVVDAZJNN-KRWDZBQOSA-N 409.494 1.798 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(CS(C)(=O)=O)CC2)C1 1729931743 AQHZBEBBVLATDE-UHFFFAOYSA-N 415.519 1.867 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740575041 PMDLSAVUJYJZQB-IAGOWNOFSA-N 419.551 1.185 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1740616273 XJVAJWYSISMOEM-HNNXBMFYSA-N 409.556 1.479 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1740643885 VWDUSRHARUYYSA-UHFFFAOYSA-N 416.485 1.213 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1740667845 SCIAGIPVPSSYOU-FQEVSTJZSA-N 400.552 1.941 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1740671700 MQEDNURCVSNYBA-KRWDZBQOSA-N 421.523 1.329 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1nnnn1CC1CC1 1740683756 DGXHXQHWYYLDFI-UHFFFAOYSA-N 407.482 1.179 30 10 HDEE C#CCSCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723220 OACUSXWMUPCRAT-VQIMIIECSA-N 405.524 1.414 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740723625 TZHGQROZUBDLQT-UHFFFAOYSA-N 408.572 1.811 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(N)=O)C1 1740760369 PFTXHVDPAPUDMC-VKJFTORMSA-N 416.551 1.927 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1740772177 GICOHCOJBSPNQO-STGLLQLASA-N 413.482 1.158 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740814284 QHUVGTMLNVTRGW-HNNXBMFYSA-N 415.885 1.489 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740837949 BDLFPMRZZKYBON-RBUKOAKNSA-N 416.570 1.988 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740882661 TWGZOQMMJYIVMS-HNNXBMFYSA-N 413.478 1.933 30 10 HDEE C=CCn1c(N2CC[C@@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740949574 LNBRKPVFJQUNHO-CRAIPNDOSA-N 413.544 1.023 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740985630 KEGSSVRAOZELOV-ZIAGYGMSSA-N 406.574 1.260 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)OC)CC1 1740988904 SZMBKLAHPLMEPA-UHFFFAOYSA-N 418.519 1.935 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1740991086 NUHJZCUWUNZQQW-UHFFFAOYSA-N 409.556 1.499 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748744305 YJWKFAVMMPMYDJ-UHFFFAOYSA-N 406.490 1.286 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748814283 CLRCYYSZBLMFNW-GOSISDBHSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748839023 MKTGBOCOLKIDOE-FQEVSTJZSA-N 419.533 1.356 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1748908437 YFQWMRXVROQKKQ-HXUWFJFHSA-N 414.514 1.223 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1748948859 YTNNNJAOEQEYJB-GCJKJVERSA-N 415.538 1.805 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCCC2=O)CC1 1748984721 YHWQRTZGGCKMML-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCSCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1749033502 HHNUEWXFPVXZHQ-AWEZNQCLSA-N 421.486 1.689 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749199354 NISQDJBPZJSTTQ-GOSISDBHSA-N 413.526 1.695 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)OC 1749327447 LFYZWJJXPMZVOU-GBESFXJTSA-N 424.505 1.535 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1749501705 HBSGYOKIRRPJKI-UHFFFAOYSA-N 409.487 1.654 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1749591238 OQSXEUUQHFXJAF-UTKZUKDTSA-N 415.494 1.863 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1749599864 NEKAGQZRJFEMHN-QGZVFWFLSA-N 420.535 1.873 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749651448 VNCADAFFGYSUHZ-ZIAGYGMSSA-N 416.457 1.171 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(CN(C)C(C)C)CC1 1749664229 ZSIPIHAOWQLALC-UHFFFAOYSA-N 412.542 1.594 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C(N)=O)(c3ccccc3)CC2)nnc1C(C)(C)C 1749681703 GJDLTLICIDFFKF-UHFFFAOYSA-N 424.549 1.901 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N(C)C)C1 1749718906 JUGRGUHCEXQHIJ-SFHVURJKSA-N 415.494 1.735 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOCC1CC1 1751214719 ZFKLBBGZBMEBFW-AWEZNQCLSA-N 410.544 1.445 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1751982717 OBFAWIQXRBOVFA-YJBOKZPZSA-N 410.478 1.289 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760281442 SHBXSVYYZGPZBC-CVEARBPZSA-N 418.567 1.337 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760345056 CXDXVPSYFLUPRS-CQSZACIVSA-N 403.556 1.809 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1762611074 JCNKDDROKNOCJI-UHFFFAOYSA-N 423.569 1.206 30 10 HDEE CCN(CC1CCC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1765143595 GVCCIIHSGSLTCG-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1766679421 GXRMZYBXQCEVNF-QGZVFWFLSA-N 422.442 1.730 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1770013985 DSOOHOMPOFHXNA-NSISKUIASA-N 406.531 1.199 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)cc1 1771534292 VMFHEMHBUSIWGY-INIZCTEOSA-N 418.404 1.739 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CO2)C1 1772787751 QRBHNWYRBLSGRJ-LBPRGKRZSA-N 402.403 1.767 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)cc1 1772790477 CXAXORFPGSYHCQ-MRXNPFEDSA-N 418.365 1.518 30 10 HDEE O=C(C1CCN(c2ncccn2)CC1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851710585 MKOJQUHNKZEAMA-UHFFFAOYSA-N 419.429 1.954 30 10 HDEE C[C@@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851793603 QLQHADKAVNUWEY-SJKOYZFVSA-N 416.384 1.642 30 10 HDEE C[C@H]1NC(=O)[C@@H](CC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)NC1=O 1852919111 GKQUNEDPWBAMFK-PRHODGIISA-N 403.744 1.042 30 10 HDEE COc1cc(C#N)ccc1NC(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1852957722 AHSQUTCDVCTMSB-LBPRGKRZSA-N 420.413 1.614 30 10 HDEE Cn1nncc1CN(CCN1CCc2ccccc2C1)C(=O)c1cnc(C#N)nc1 1853531046 MLVOJCFYMQRSPI-UHFFFAOYSA-N 402.462 1.177 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C2CC3(C2)CC(F)(F)C3)C(=O)C1 1853947423 OWIHEBFGOIJSFH-UHFFFAOYSA-N 423.441 1.743 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2ccc(C#N)cc2)C1=O 1854035695 XYPPOUOJCPCSGX-RBUKOAKNSA-N 417.531 1.977 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC[C@H]3Cn3ccnn3)CCC2=O)cc1 1854191198 VLYIYQQIXRYUAK-UXHICEINSA-N 406.490 1.622 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854439070 HKQVNFMHYQFNBO-SJORKVTESA-N 424.567 1.476 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(F)c(Cl)c2)CCN1S(=O)(=O)CC#N 1854787589 QQMNSNRIWDYFCD-NSHDSACASA-N 401.847 1.324 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nnn(C)c2C(F)F)CCN1CC(=O)c1ccc(C#N)cc1 1855188927 DEAVOJHGJMYBAF-LLVKDONJSA-N 416.388 1.180 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856558914 PGDNQGGSTUTOHQ-UYAOXDASSA-N 417.550 1.964 30 10 HDEE C[C@@H]1CN([C@H]2CCN(C)C2=O)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856616461 XNSATEJVXOOBBY-KUHUBIRLSA-N 403.442 1.813 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)Cn3cnc4c3CCCC4)C(=O)C2)C1 1856827713 DMWKTIHIJNZFLX-RTBURBONSA-N 413.566 1.719 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(CCN4CCOCC4)CC3)CC2=O)c1 1857037754 IFXARMDSLDPDGM-NRFANRHFSA-N 410.518 1.591 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)C1(C)C 1857086515 PWPCMXQTMXDGEB-MRXNPFEDSA-N 401.511 1.022 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857223845 QWEUIBOXZPKXPT-QZTJIDSGSA-N 416.522 1.015 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCOC3)C2)CC1 1857248874 CTKISJKHESOVHC-IEBWSBKVSA-N 412.490 1.456 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccccc1C#N)N1CCN(C(=O)OC(C)(C)C)CC1 1858021758 VGMQGQWAXOPXEK-OAHLLOKOSA-N 408.524 1.778 30 10 HDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520066 GYJNRAPLEBJCQP-UHFFFAOYSA-N 421.465 1.923 30 10 HDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874337878 KYWNGQWCFJONRF-SCDDIDHTSA-N 416.507 1.471 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N(c1ccccc1)S(C)(=O)=O 1892332066 XSEIIFNIBHDSFS-MRXNPFEDSA-N 413.503 1.457 30 10 HDEE C=CCNC(=O)COC(=O)C=Cc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1Cl 2040426610 XZWCEVZLEXQXIV-GFCCVEGCSA-N 401.872 1.063 30 10 HDEE CN1CCO[C@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3Br)C[C@H]21 2172773726 FYRDLJHGASYBPT-CABCVRRESA-N 424.148 1.663 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](F)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174782973 XAUFCFYMNBJMEP-KGLIPLIRSA-N 405.492 1.574 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@](O)(C(F)(F)F)C1)C(F)(F)F 2180831914 ZZOGUKPLSYQQBW-RKDXNWHRSA-N 404.229 1.902 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@H](CS(N)(=O)=O)C1 2181112194 XSKYHQVGBAPMLB-UONOGXRCSA-N 402.517 1.101 30 10 HDEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1nscc1C#CCN 2186634377 HLXYVRLZXALMOC-AWEZNQCLSA-N 406.533 1.250 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)O 2195344606 DSMBJPDPNLJJAW-CQSZACIVSA-N 400.428 1.980 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2243431939 QPYUIEOWAUANRI-UHFFFAOYSA-N 405.304 1.911 30 10 HDEE Cn1ncc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247778684 GKFCAKJBGKZYFU-KBPBESRZSA-N 420.319 1.505 30 10 HDEE Cn1ncc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247781268 JIBBDLSBTCUVDV-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826725 YVOVOAUPNLGSNO-FQEVSTJZSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]1CCO2 2247931071 LAMLIDADASJVNR-BTYIYWSLSA-N 420.315 1.763 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248429930 SASKSSOJOSLCGP-CQSZACIVSA-N 421.303 1.859 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2267702297 DTLQTDGEVSEOIG-UWVGGRQHSA-N 404.750 1.436 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)c1csnn1 2267712799 ZEKSRPCYICYTOP-SECBINFHSA-N 401.344 1.938 30 10 HDEE COc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282054552 RZEIUNDEFQDPPR-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE Cc1cc(S(=O)(=O)N2CCO[C@@H](CF)C2)sc1B1OC(C)(C)C(C)(C)O1 2282302318 VYQQFSBMTOTFNV-LBPRGKRZSA-N 405.322 1.715 30 10 HDEE CN(CCCS(C)(=O)=O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332390 ABOBXVFHMXFHAM-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N=S2(=O)CCCCC2)n1 2282496891 IZQNZJVZRTYGLU-UHFFFAOYSA-N 403.335 1.060 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N(CCO)C3CC3)ccc2Cl)OC1(C)C 2282498233 AQARDQILGICBQK-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE C[C@H]1NCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282499372 CKELAGROAPTLNU-CHWSQXEVSA-N 400.375 1.559 30 10 HDEE CN(C)C(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282614644 SYAHGUUPACJDKZ-UHFFFAOYSA-N 401.725 1.702 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]3(CO)CCOC3)cc2Cl)OC1(C)C 2282830011 NXPJUEWRFOPAQP-HNNXBMFYSA-N 423.749 1.130 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2OC3CCC2CC3)OC1(C)C 2282837011 AONIQFIXHHUXAT-UHFFFAOYSA-N 400.331 1.831 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)C(C)C 2282841830 QDRNKDXXDBVVJV-CYBMUJFWSA-N 403.331 1.743 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282842610 AOWZSSGISQEYRN-OLZOCXBDSA-N 400.375 1.593 30 10 HDEE CN(C[C@@H]1CCCCN1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849257 YRAFYKBWNRNPIG-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN(C[C@H]1CCSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282855690 IITVRWMXFYLWCA-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CC[C@@H]2O)OC1(C)C 2282878917 MBDRDVPLLIPKIJ-FZMZJTMJSA-N 401.721 1.688 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CCC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284401465 IINWQUBKEMLSQW-LLVKDONJSA-N 403.331 1.887 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)CC(=O)O 2284404677 ZVUOKHGSTYKJFR-SNVBAGLBSA-N 403.331 1.839 30 10 HDEE C[C@H](CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284414315 GKJYFTGPRCKECG-LLVKDONJSA-N 403.331 1.827 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535134 SLHLBEWJZDDFGO-WMZOPIPTSA-N 424.354 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2342036976 JAFYHCBFYMQKFN-CABCVRRESA-N 403.566 1.918 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCCO)c(F)c2)OC1(C)C 2360814735 RFXBHZWTHGPMKQ-UHFFFAOYSA-N 405.322 1.129 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@@H]1CC[C@@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2361580500 HDONTOFRZFFJRM-ZIAGYGMSSA-N 407.363 1.401 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCNC(=O)OC(C)(C)C 2365202559 OGFONSOFEZRUAC-HNAYVOBHSA-N 404.573 1.847 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCOCC1 2367791676 JZODMSZHNHDWNJ-HNNXBMFYSA-N 401.525 1.640 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C 2367797615 WCPBHMHSFJJLMZ-OAGGEKHMSA-N 400.541 1.427 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367855313 HJVQVLJQBHILTF-HOCLYGCPSA-N 401.525 1.684 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3n[nH]cc3CN)cc2Cl)OC1(C)C 2380427485 DQTFNZOXPGIUEQ-UHFFFAOYSA-N 418.737 1.683 30 10 HDEE CN(C)C(=O)[C@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445508 GWKLYIKXGGMHCB-FQEVSTJZSA-N 412.515 1.694 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@]4(C)NC(=O)NC4=O)cc3)cc2C1=O 52662953 XJKYUXUCYVTPDV-QFIPXVFZSA-N 418.409 1.776 30 10 HDEE Cc1cc(NC(=O)CSc2n[nH]c(N/N=C/c3cc([N+](=O)[O-])ccc3O)n2)no1 59813278 GRDFCQMYALZNRC-OMCISZLKSA-N 418.395 1.892 30 10 HDEE CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208048531 VCUJAKSTWXYOFF-MRXNPFEDSA-N 423.344 1.341 30 10 HDEE N#Cc1ccc(OCCNC(=O)Nc2cnn(Cc3nnc4n3CCCC4)c2)cc1 445138450 QEXRBAQTBQOGHU-UHFFFAOYSA-N 406.450 1.931 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC2CCN(CC#N)CC2)C1 464971592 JAACVPBESGBMAY-QGZVFWFLSA-N 423.539 1.044 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(OC)c1 471942967 GFVINGSXKMSWOQ-MRXNPFEDSA-N 417.509 1.150 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 480967591 WOZXSLVVWNEJPS-UHFFFAOYSA-N 402.398 1.977 30 10 HDEE COc1cccc(N2C[C@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)CC2=O)c1 481045186 WODWWYHRICBIBT-OAHLLOKOSA-N 403.435 1.931 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489215291 FIUNZDWIZGXNBL-UHFFFAOYSA-N 413.503 1.409 30 10 HDEE N#Cc1c(F)cccc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 489654714 KPLUIPFBTWRLSL-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(CC#N)cc4)CC3)C2=O)n(C)n1 506878232 ZITBJNUPIQXGOG-HXUWFJFHSA-N 420.517 1.748 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(OCCC(=O)NC)CC1 508944266 CVZNRXJSYJPACF-UHFFFAOYSA-N 401.515 1.447 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 508954461 XPECZELOHAOYLM-UHFFFAOYSA-N 400.527 1.833 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@](C)(CO)c1ccc(Br)cc1 511253424 SLOKSJFEMJVXAC-DOMZBBRYSA-N 404.330 1.973 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3ccccc23)CC1 533546431 UMUDNPCDVCVNEV-IBGZPJMESA-N 408.506 1.045 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2nnn(OCc3ccc(OC)c(C#N)c3)c2c1 535359818 ZGEUVPUAMPHMJV-UHFFFAOYSA-N 415.475 1.971 30 10 HDEE CN1CCN(CC2(C)CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 544491042 NGTJVEZSVMRABG-UHFFFAOYSA-N 404.580 1.681 30 10 HDEE C[C@@H]1C[C@H](N(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1C 553277293 HHUUCPMUKKYWDQ-DUXKGJEZSA-N 401.530 1.949 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 553886391 KZMRRRFKBYWJQN-GDBMZVCRSA-N 415.446 1.895 30 10 HDEE CCN1C(=O)[C@@H]2CC3(CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CN2C1=O 581803055 FPVVAPXWEKBJGW-INIZCTEOSA-N 402.476 1.386 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c1 582098141 HDGNVRJCJKCIMF-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE COCCN(C)CCCC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586860828 RTFZMEALTILYBQ-UHFFFAOYSA-N 418.513 1.911 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1-n1nnnc1C 608840637 CSQDQJWSIUIXMW-UHFFFAOYSA-N 419.449 1.600 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 669818483 UPXSNAXUSSDNFW-GOEBONIOSA-N 407.496 1.384 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C)cc1 734925124 XTPKSVVKPISACV-KNQAVFIVSA-N 421.453 1.946 30 10 HDEE CCOc1ccccc1NC(=O)[C@H](C)OC(=O)CCN/C(O)=C1\N=CC=CC1=O 741340557 FYKXSPVAPLLGEO-IRXVASQBSA-N 401.419 1.872 30 10 HDEE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 757312991 QLYRITBXTCSCEW-XNISGLLXSA-N 407.517 1.929 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CC2)n1 760794993 XSNQJVHFAQTTND-UHFFFAOYSA-N 415.475 1.293 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1 767426737 LZSQUHBIXNPSEG-KBPBESRZSA-N 409.309 1.983 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccsc2)cc1 769557171 VQDFBXPEBSTPGR-LTGZKZEYSA-N 420.516 1.929 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 771630825 ALTVSYZDLFCKKL-GCJKJVERSA-N 422.489 1.707 30 10 HDEE O=S1(=O)N/C(=N/CCCCCc2nc(Cc3cnccn3)no2)c2ccccc21 771645112 HUVCJUMYEUBXBM-UHFFFAOYSA-N 412.475 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 782169790 AOXZMSQMLQSUDC-GFCCVEGCSA-N 401.423 1.997 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C 782392503 OWEFNLXSDRNUQJ-FQSKDFRHSA-N 408.495 1.766 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)OCc3cc(O)n4ncc(C#N)c4n3)CC(=O)N2C)cc1 783697552 LANDCADGOOFBOX-LPHOPBHVSA-N 421.413 1.578 30 10 HDEE CN1C[C@@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 786514627 YOGJOCNSRFNDCG-ZWKOTPCHSA-N 406.398 1.789 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1Cc1ccc(F)cc1F 790624897 FXQJHDWDNSIRDY-HTXNQAPBSA-N 416.388 1.169 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=S)NCCN2CCOCC2)CC1 795005651 WFFIIYVOXFWEES-GOSISDBHSA-N 407.971 1.729 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c2C1 797320648 FWDISWODWSEKSG-OAHLLOKOSA-N 421.523 1.115 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)CCN(CC)CC)ccc2c1=O 798144170 VSQBZZPPQNNEAX-OAHLLOKOSA-N 404.536 1.694 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 802343085 VNOATMNXOJYCFB-IBGZPJMESA-N 424.505 1.538 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3F)n2CCOC)CC1 802346769 RQOTZUSGWIFHPR-UHFFFAOYSA-N 416.501 1.079 30 10 HDEE C#C[C@@H](C)Oc1ccc(COC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 802809462 IGNDTDYLGHSQJJ-CQSZACIVSA-N 421.453 1.952 30 10 HDEE COc1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)ccc1C#N 812250822 FWIOXZBWAMLDAH-UHFFFAOYSA-N 411.439 1.804 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c1=O)O[C@@H](C)C2 837865333 ZNQMYMJJZKHIOR-SUMWQHHRSA-N 423.494 1.447 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1116926052 KTCUCHJWEFVZOL-OAHLLOKOSA-N 402.538 1.683 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc1Cl 1126397185 NNKJOXDAPFPVLS-UHFFFAOYSA-N 413.869 1.196 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC[S@](=O)CC(F)(F)F)cc1 1130874416 XYMOMJZAURMENJ-VWLOTQADSA-N 410.439 1.805 30 10 HDEE CCc1c(C(=O)N(C)[C@H](C#N)C2(SC)CC2)cnc2c1c(=O)n(C)c(=O)n2C 1132695496 WDQVQDZLSQZNEZ-CYBMUJFWSA-N 401.492 1.054 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1139175477 GHIMWBPZPTYBQZ-OAHLLOKOSA-N 422.279 1.617 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H]2CCN(O)C2=O)nnc1-c1ccc(Cl)cc1 1141380368 NMECKWSFNMIYNH-CYBMUJFWSA-N 407.883 1.983 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1142078032 OOCQYKPIZKPWHT-LSDHHAIUSA-N 404.529 1.925 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CSc2ccccc2Br)CC1 1144025378 AOCLMQXHTHYMII-UHFFFAOYSA-N 424.364 1.825 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CCN2C(=O)CCNC2=S)n1 1152344259 KJTMZVWQIZCCLJ-UHFFFAOYSA-N 402.867 1.833 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](CC)C(=O)OC 1163188836 IOHDQVKBCMDRQY-HIFRSBDPSA-N 409.508 1.599 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cnccn1 1163553932 VAYLDDOGGVBUPV-ZFWWWQNUSA-N 401.492 1.807 30 10 HDEE CCN1C[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1165356878 KYRFGYOBMJXVTC-GFCCVEGCSA-N 405.296 1.742 30 10 HDEE CC(C)=CC(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1178757360 PCXCYUUJKUDTBH-PXNSSMCTSA-N 401.488 1.279 30 10 HDEE C=C[C@H](C)ONC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1197219770 HTKOZFADOBCCBV-UONOGXRCSA-N 411.480 1.888 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC[C@H](CCC(N)=O)C1 1209151341 DXHHYXDBDKGOGP-LLVKDONJSA-N 400.298 1.987 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)Nc1cc(CC#N)ccn1 1219701022 FQRLSWAKWYISOX-UHFFFAOYSA-N 403.464 1.082 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1227630434 BJRGDHPSFPQGEF-UWJYYQICSA-N 414.462 1.023 30 10 HDEE Cn1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)c(-c2ccc(C#N)cc2)n1 1233990527 IJVMXPQSALXLHA-FXAWDEMLSA-N 413.503 1.535 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286392791 NUHXJWIYNTWWBF-ZWKOTPCHSA-N 413.547 1.937 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286395707 UABQOOKBVHRJMN-QZTJIDSGSA-N 424.567 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccsc2)N(C)C)CC1 1286488934 YQNGKYRAGPKFPV-GOSISDBHSA-N 400.552 1.917 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286624724 ASYRRQQMJAEHBP-UHFFFAOYSA-N 424.896 1.913 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1286704928 KBLBKGGAVRSIHB-UHFFFAOYSA-N 418.542 1.049 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(OC)cc1 1286727485 RERQYKHHVLANPV-QGZVFWFLSA-N 421.523 1.290 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286783003 KFUWQNOHJOCCIL-HNNXBMFYSA-N 413.438 1.418 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1286785429 FJTYECVKFBEMNL-DOTOQJQBSA-N 412.469 1.664 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1286793235 VQURTFQSSDIQQR-OAHLLOKOSA-N 422.530 1.468 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1286815669 YNHBJWKBSVLSIW-QGZVFWFLSA-N 415.519 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286819625 QIEMOBFDWGHFFZ-MRXNPFEDSA-N 422.555 1.187 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1286831390 ZTOJHRJNGLJHRA-IBGZPJMESA-N 418.523 1.627 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1288312491 JLSHNRGHXCLJNQ-RTWAWAEBSA-N 418.542 1.927 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC(F)(F)F)cs1 1290388594 RWPJLWMCYOGPPM-JTQLQIEISA-N 415.445 1.908 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1290979082 QDOIMNTUJGVSHR-ZDUSSCGKSA-N 404.421 1.765 30 10 HDEE CCOCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297095779 HQHOQPZMHUACQF-NOJWBWKLSA-N 402.499 1.823 30 10 HDEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1300429369 HXWRVVQBPCGKQD-KRWDZBQOSA-N 415.519 1.977 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1300432385 VIESGVMFTJULDI-NQIIRXRSSA-N 403.527 1.647 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300498795 NGXRGNCYUNETHY-KZNAEPCWSA-N 408.568 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1Cc1nnc2n1CCC2 1300675939 XBRUOTVTERGGGQ-UHFFFAOYSA-N 421.505 1.838 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1300776913 ONRDRFFAOAZCOT-OXQOHEQNSA-N 421.567 1.352 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1300778167 OHAOZKIBTYJPHJ-FQEVSTJZSA-N 407.584 1.827 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCc2ccccc2-n2ccnc21)c1cc[nH]n1 1301117759 VFNAISREZDXZNW-MRXNPFEDSA-N 422.445 1.683 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1301268412 KEJCNIYIJXSFTA-INIZCTEOSA-N 405.886 1.899 30 10 HDEE C=C[C@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1301290898 CWRFOWKTPJNESE-SECBINFHSA-N 400.806 1.690 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1302989084 HVCWDMIULVUKFI-MOPGFXCFSA-N 408.462 1.741 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCCn2ccnc21 1303807987 QLSDMNIQYVHUGN-ILXRZTDVSA-N 420.543 1.401 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1OCCC1(C)C 1303849489 MPHQLCNDDBEKAQ-DOXZYTNZSA-N 424.571 1.833 30 10 HDEE N#C[C@@]12CN([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]1CS(=O)(=O)C2 1308099971 KZQPPGINVZKGHM-MJEQTWJJSA-N 424.320 1.573 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1308160914 FBSXFWSMXFNFDB-CLWVCHIJSA-N 409.474 1.871 30 10 HDEE CNS(=O)(=O)c1ccc([C@@H](C)NS(=O)(=O)c2c(C)cc(F)cc2C#N)cc1 1309085321 DWWRBRKACGPIMZ-GFCCVEGCSA-N 411.480 1.953 30 10 HDEE C#CC[C@@H](CO)NC(=O)N[C@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312117085 JLCKGQMZRVOVNS-FXAWDEMLSA-N 416.499 1.872 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@H]1CCS(=O)(=O)C1 1358953952 PRUVJEVGYFMGQL-MRXNPFEDSA-N 402.520 1.924 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358962543 RPCHVBQSKVMZBX-SJORKVTESA-N 424.567 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccccc1)OC 1358992403 KRAIWQYUQZHXHL-UXHICEINSA-N 405.502 1.950 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnn(C)c1 1359025670 VXYGEHGOXSEJJL-IBGZPJMESA-N 408.462 1.658 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)C2CCC2)CC1 1359037379 HHMWDJRIVJSVDH-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(N(C)C)CCOCC2)CC1 1359040923 JOPFKSONXSXKBQ-UHFFFAOYSA-N 416.570 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359041086 MWVSLBMUIYDIDW-JKSUJKDBSA-N 421.567 1.192 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359215616 GDHORZALTQXGQK-IAGOWNOFSA-N 409.556 1.451 30 10 HDEE C=CCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290095 HMRBZJOSULIZAT-JONQDZQNSA-N 416.526 1.950 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1359292872 ZTLMMSBTVYYFGX-CQSZACIVSA-N 416.457 1.138 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 1359292943 BPOQEWNYXHHNAZ-UHFFFAOYSA-N 420.876 1.644 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)NCC)CC1 1359297415 PLCQAPKBYHECOP-UHFFFAOYSA-N 411.510 1.407 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC 1359309833 FOACFBYXCNKQHG-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE CC(C)C(=O)NCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1359643113 PIVNCIJATQHYLQ-UHFFFAOYSA-N 424.553 1.941 30 10 HDEE C=CCn1cc(C(=O)NC2CCN(c3ccc(S(=O)(=O)CC)cc3)CC2)nn1 1360045299 AJXYDHJAUFASRK-UHFFFAOYSA-N 403.508 1.657 30 10 HDEE CC12CCC(CC1)N2c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1360849206 QAUYEXJHDIPGHL-UHFFFAOYSA-N 400.508 1.887 30 10 HDEE C=CCCOCC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1439825672 QCHOGGBGYOMABA-HNNXBMFYSA-N 414.243 1.883 30 10 HDEE C#CCN(CC(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)C(=O)OC(C)(C)C 1442037158 VRJPAEZJKWABTF-KRWDZBQOSA-N 418.416 1.547 30 10 HDEE NC(=O)C1CCN(c2ncccc2CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1443628428 CUUXBGGOEVWTJT-YVMONPNESA-N 410.449 1.821 30 10 HDEE N#CCOc1cccc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1443906503 BHMMAPIKYOOKHB-KRWDZBQOSA-N 423.878 1.198 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cn(-c3ccccc3)nn2)s1 1445538838 HQVIRTVDUDZVLF-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE CS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)o1 1448842412 JBNSARAPMVVEGN-JKNJVXJCSA-N 413.455 1.485 30 10 HDEE C#Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 1449277371 ZGFDSAUCQMZWNH-GOSISDBHSA-N 405.502 1.244 30 10 HDEE C=CCC[C@H](C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1ccccc1 1449496236 GGKIKJBLQBLFFY-KRWDZBQOSA-N 413.565 1.853 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1449754079 XGKPRZNPHUQBAZ-KGLIPLIRSA-N 403.298 1.577 30 10 HDEE C#CCN(C)CCCNC(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 1450486070 JSQBRVXBLNTSEP-HSZRJFAPSA-N 406.486 1.678 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3Cc4ccccc4NC3=O)C2=O)cc1 1454625551 HCTFRWSPYHPGPR-ROUUACIJSA-N 417.425 1.443 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1cccc(C#N)c1 1455776348 BUADGIHNMWZLDR-ZDUSSCGKSA-N 421.500 1.117 30 10 HDEE C=CCOCCCC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1456659431 VGJPCSBDWUXKGX-CABCVRRESA-N 402.513 1.214 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(F)(c4ccccn4)CC3)CC2)o1 1460072622 OPFJSPCZLDDBMY-UHFFFAOYSA-N 412.469 1.859 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1468295639 RTZCUGNVZFSSEZ-UHFFFAOYSA-N 405.520 1.531 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccc(C#N)cn2)C1=O 1468690616 JCKFMOHRCXJXAZ-MRXNPFEDSA-N 401.467 1.333 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1470222313 DXEOBKJXYILXND-UHFFFAOYSA-N 423.494 1.905 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2O1 1471758759 QNANZGNGJMPJKX-OHFALNGGSA-N 421.519 1.204 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCC#C[C@@H]2CCCCO2)CC1 1472319235 MYBDHRBCEFAITJ-KRWDZBQOSA-N 409.508 1.381 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c1 1472368588 NZPARELWJINGSU-GASCZTMLSA-N 407.492 1.384 30 10 HDEE CSc1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1-c1ccccc1 1472370352 FUFWSNDBSPAOSD-UHFFFAOYSA-N 408.443 1.425 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CCOCC1 1473809246 PEWXTFQKUXISQH-UHFFFAOYSA-N 407.536 1.818 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])c3ccccc23)CC1 1477224551 XGSWJZSRIHCDSB-UHFFFAOYSA-N 417.447 1.365 30 10 HDEE C=CCN1CCC(NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1477805458 MZDIVIJMBBKQMD-MRXNPFEDSA-N 421.542 1.156 30 10 HDEE C[C@@H](c1ccncc1)N1CCC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1478264840 ZRDXPPNZVNJNPE-AWEZNQCLSA-N 423.477 1.007 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1478404531 SKNWETMSBVQHFD-XHSDSOJGSA-N 407.515 1.692 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1=O 1503682376 SYNKUGFBDRAKJV-GOSISDBHSA-N 408.462 1.352 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2COCCO2)C1 1505316823 BHKREAVCCOVXJO-LPHOPBHVSA-N 405.405 1.854 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C(F)(F)F)C2)o1 1505317108 ODISEWMWMSOCDE-CQSZACIVSA-N 424.383 1.795 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2CCOCCCO)cc1 1505317812 PXMYKXLJRPFKQQ-RTBURBONSA-N 424.505 1.463 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C 1507532972 JWFGZNYLVGDGOW-INIZCTEOSA-N 407.522 1.990 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507563839 JHPNMEMZVWDGQS-SQNIBIBYSA-N 422.551 1.368 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1507583681 VKNGLTWMZYNSJI-MRXNPFEDSA-N 421.509 1.977 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cc1 1507616819 NYBFATKZVDUKDE-CQSZACIVSA-N 408.911 1.982 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507700181 PJRFRCIULCQSDO-QZTJIDSGSA-N 402.543 1.532 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1COCCO1 1507714857 YMVQDHDNPJQDOR-FQEVSTJZSA-N 414.506 1.975 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1507733292 STHJSCWOVRBJIN-DENIHFKCSA-N 413.497 1.932 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1507755078 AQUKWBUGLJPCOO-SFHVURJKSA-N 410.547 1.831 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508042478 LIBHJWAQOYTKFR-GOEBONIOSA-N 414.897 1.762 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508072754 GLEWEACVVVWDKP-HOCLYGCPSA-N 415.929 1.969 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1508077625 ZIOTYQKBKIVIMO-AEFFLSMTSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1508078817 JRDDEEYVYAKOBP-HDICACEKSA-N 422.489 1.646 30 10 HDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCO1 1514385166 MLMREIBFNMOJQY-SFHVURJKSA-N 407.482 1.899 30 10 HDEE CCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1514817141 DSGICSWFYWSRHF-GJZGRUSLSA-N 406.487 1.725 30 10 HDEE COCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1518894693 CTARREAKNDHTFU-UHFFFAOYSA-N 422.493 1.768 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1521488131 NRJPBGLSEWGBLH-ZBFHGGJFSA-N 406.280 1.980 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OCC 1531936717 JJJJQUWLFRDLHQ-LLVKDONJSA-N 409.782 1.381 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C1CCOCC1 1533501652 ZWNVLKVNZIFGSG-GQIGUUNPSA-N 420.531 1.643 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NCCS(=O)(=O)CC(F)(F)F 1538439714 DAYWIKGZHVYASO-UHFFFAOYSA-N 408.398 1.819 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1539011681 CSAWBSOEVZADTE-KFGODFMUSA-N 421.567 1.505 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1539088950 BUGJGHOFWCCXFE-QGZVFWFLSA-N 402.543 1.962 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1539194350 XJAXRNGTOWEZBF-UHFFFAOYSA-N 404.434 1.009 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539215874 KTIAASIDIPZPJH-IKGGRYGDSA-N 414.535 1.798 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1539432881 RSMOBOLFDYNTJC-GOSISDBHSA-N 414.478 1.326 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)CC1 1539849647 ZPFRVZYWOJPKGS-SJORKVTESA-N 409.556 1.057 30 10 HDEE C[C@H]1CNc2c(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cnn2C1 1540796936 FBQKIWHEMLJWMD-AWEZNQCLSA-N 404.478 1.947 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](Cc2ccccc2)C1 1540873825 LESMWMFFWQWGJI-IBGZPJMESA-N 422.533 1.772 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)C1 1540889397 KXKITUWATBMSHE-MRXNPFEDSA-N 401.515 1.765 30 10 HDEE C#CCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCS(=O)(=O)C1 1543461991 IUATZMXPFUOAHS-QGZVFWFLSA-N 417.336 1.557 30 10 HDEE CS(=O)(=O)Cc1ccc(Cn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1555801348 HPZPIHYCLDVLMZ-KRWDZBQOSA-N 401.492 1.477 30 10 HDEE COc1nn(C)cc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558744012 XBUVHGQINNQJDS-UHFFFAOYSA-N 419.507 1.344 30 10 HDEE C=CCOCC(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1570326965 YMXOYYAEJJAIRY-DLBZAZTESA-N 422.526 1.583 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1585432180 XILZOEMDBIVQAI-LJQANCHMSA-N 402.476 1.100 30 10 HDEE C[C@@H](Oc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585659933 AMWUVDCXJNOMRS-BFQNTYOBSA-N 413.293 1.613 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccccc1 1586032123 YXBTYQHPJMNNGX-FOLRYPLNSA-N 416.503 1.948 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N(c2cc(C#N)cc(C)n2)C2CC2)c1=O 1587012550 XULXCWSVEPBJKT-UHFFFAOYSA-N 403.442 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1587550855 UFPWAHCGQAWOLM-ZDUSSCGKSA-N 422.331 1.924 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CC2(N3CCC(OC)CC3)CCCC2)CC1 1588752518 TXFXHVYHPCOHQM-UHFFFAOYSA-N 400.571 1.765 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CCOC)C(=O)C1 1593730284 VUCNJIAMRBLUQW-UHFFFAOYSA-N 402.499 1.171 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1594568699 XATBSMBXSRZQTD-UHFFFAOYSA-N 412.560 1.244 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1595405317 JKYQCTULZWJUJM-CQSZACIVSA-N 423.489 1.971 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1595583361 DMVRDPHMYGTUJY-GASCZTMLSA-N 423.491 1.013 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](C)C1 1595823547 PAJAEUCEAQIVAG-GJZGRUSLSA-N 406.556 1.833 30 10 HDEE COC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ncccc2c1 1597605572 CDJPNCLLTCKXQK-UHFFFAOYSA-N 424.438 1.810 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1610466178 SUQJZSSSSRFWIR-MAODMQOUSA-N 416.526 1.727 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CCO1 1611796916 DOIPXBGYIZKVOW-INIZCTEOSA-N 401.515 1.080 30 10 HDEE Cc1nnc(N(C)C[C@H](C)c2nccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1612534629 MIHPVRMCZORDBI-SUQMRRJOSA-N 401.496 1.809 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1618513815 BIAZPBGGICAORP-MRXNPFEDSA-N 409.494 1.509 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 1618841894 ABIVEVNSRFEWQL-UHFFFAOYSA-N 400.508 1.746 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 1619452451 WYKHAJIKHRIEAK-WDYCEAGBSA-N 401.463 1.652 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1619989084 BCPRKDMEHHMMFO-JTDSTZFVSA-N 423.489 1.987 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC[C@H]1C 1620099395 BOZYKUPALZHKMW-NHAYFPRASA-N 422.505 1.165 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1)C(=O)OCC 1622449429 SQGNQMNSRVQSBQ-LBPRGKRZSA-N 420.871 1.124 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1 1623721756 NFZMLFNIDVMOFT-UHFFFAOYSA-N 403.526 1.541 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccnc2c1CCN2C(=O)OC(C)(C)C)C(=O)OC 1626208138 JVBXKPSTGRBBRK-OAHLLOKOSA-N 405.451 1.853 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1626393817 VFZCOGYRBYORLJ-HUUCEWRRSA-N 423.510 1.209 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(N4CCOCC4)CC3)C2)C1 1626677725 XMRYGGLIHSUKIR-BATSVXPKSA-N 418.538 1.754 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O 1628662005 HEIUHINQJFNDMH-HXUWFJFHSA-N 416.437 1.687 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 1629935765 STISKUKSYFPRFI-CQSZACIVSA-N 411.499 1.703 30 10 HDEE C=C[C@@H](CC)CC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629999366 WHWFXZDGIGLRCA-HNNXBMFYSA-N 415.556 1.682 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2sccc2C)s1 1632546152 YCIVNAMITQEWPC-ZDUSSCGKSA-N 400.547 1.975 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2nccn2c1 1633448006 ZXZATRUYVZRNDG-OAHLLOKOSA-N 412.475 1.821 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1633560014 TUXRUACQRBGDHE-UHFFFAOYSA-N 414.483 1.471 30 10 HDEE C#C[C@H](NC(=O)N1CCc2c(cccc2S(=O)(=O)N(C)C)C1)C1CCOCC1 1637129157 YCUPRABLLMOFLP-SFHVURJKSA-N 405.520 1.433 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)NCC1(C#N)CCOCC1 1637331689 AVBSBDBBKXPVSX-JOCHJYFZSA-N 410.474 1.812 30 10 HDEE CO[C@@H]1COC[C@@H]1NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1637535866 UIIWMQJCCFBYKQ-RCCFBDPRSA-N 401.463 1.923 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc2oc(=O)n(C)c2cc1F 1637597201 HZCBOQRHIHWBMG-JTQLQIEISA-N 418.406 1.448 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C#N)CCc1ccccc1 1638991607 HJROUQIABPHVTR-IAGOWNOFSA-N 406.504 1.726 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(C(=O)C(OC)OC)CC1 1640220508 ONEBZFFIKGMSPY-UHFFFAOYSA-N 414.462 1.340 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)c1 1640509427 QWBVVGVVGKSFBP-UHFFFAOYSA-N 409.490 1.407 30 10 HDEE COC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1cccc(OC)c1 1640969645 DIYCLXNLYNKSQP-SFHVURJKSA-N 417.487 1.923 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2cccc(Cl)c2)c1=O 1641326185 XPJILYHQZVBWGD-UHFFFAOYSA-N 403.822 1.760 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1644136348 WJGKANXSQFUMKA-NRFANRHFSA-N 415.494 1.628 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 1644309684 XQGFAFKBWSIDRR-UIBIWLFHSA-N 417.531 1.991 30 10 HDEE C=CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H](C)COC 1647736215 AYKOSDPIDGADRH-HNNXBMFYSA-N 408.524 1.619 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@@H](NC(=O)OC(C)(C)C)C2)C1=O 1648682274 JQUSZJUDOFTZOF-CQSZACIVSA-N 422.482 1.259 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c3cc(C)n(CC)c(=O)c23)cc1 1648865134 JGWWLQGTZYYCDH-UHFFFAOYSA-N 415.475 1.770 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1652244659 PZXGNXLETCQHQB-CYBMUJFWSA-N 400.460 1.248 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 1653581642 KDQPMPKGSZUKNY-SFHVURJKSA-N 402.451 1.424 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)CCC1 1655669142 DMZACIMURXBVQM-UHFFFAOYSA-N 417.531 1.258 30 10 HDEE C#C[C@@H](CO)NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 1662180788 CCNYJLGXRCJMCB-PCCBWWKXSA-N 402.491 1.707 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1669661974 AHQJGOAYZFBECG-NSHDSACASA-N 421.302 1.483 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1673611173 KHRCUWMBANAQDX-QIDKZVQTSA-N 417.535 1.719 30 10 HDEE C=C1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1683846599 GCZVTWSNGULDKM-UHFFFAOYSA-N 422.551 1.509 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1686526000 SHSIGSQYJNZCCA-UHFFFAOYSA-N 416.503 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1689852810 KWRKWLXXIKZUPZ-RDTXWAMCSA-N 421.461 1.402 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1689888831 RQXZAAXRCFHIRV-ROUUACIJSA-N 400.527 1.191 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689997262 YXVDIWBNXDMSRG-MRXNPFEDSA-N 403.508 1.193 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1690045574 NIBPPZTYYSUFGP-LJQANCHMSA-N 419.485 1.786 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690301427 VBAZXLQWWSPVSV-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690315916 PISKRVZJFDFXDV-PKOBYXMFSA-N 410.522 1.914 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1690516231 BXBPAAQIBBVGOV-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1690668110 SMNVZFJNNGFXJJ-CALCHBBNSA-N 413.526 1.188 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1691865307 DCDFTTDBBCZXBG-UHFFFAOYSA-N 403.512 1.039 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@@H]3CC(F)(F)CO3)CC2)c1C#N 1693407383 WGNXFHKMWICRBN-AWEZNQCLSA-N 406.441 1.251 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1694327979 VMYOCGHHRIPKIM-VBKZILBWSA-N 419.505 1.553 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCOCC1 1696335779 CAIDEHGZCLDDTM-LJQANCHMSA-N 417.558 1.104 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696517167 VWXANJSENDZBLL-LJAQVGFWSA-N 411.491 1.577 30 10 HDEE COCCn1cc(Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)cn1 1698070041 GEEIZYAHXPETLU-UHFFFAOYSA-N 424.484 1.815 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1705519892 AOHGIUQMNCUUMK-SFHVURJKSA-N 414.554 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCCC1 1705581055 SGVJWFSFRNERET-UHFFFAOYSA-N 402.458 1.972 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCO[C@H]1C 1705630886 KDDAAYBMOFDTLI-KKSFZXQISA-N 418.469 1.622 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN(C)C(C)C)CC1 1705632489 RPWLHPIJOBJOAB-UHFFFAOYSA-N 403.575 1.292 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(=O)OC)C1 1705696002 DJUBLLGOADHQEJ-BDXSIMOUSA-N 422.526 1.983 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705733750 XZUSRXBCVCUSCL-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1705735532 SYAAXRJVBGSLEC-INIZCTEOSA-N 413.544 1.194 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705932675 XVXCMLKXFFJGKD-HOTGVXAUSA-N 421.571 1.198 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705934739 VTAIIAIOGFGXDA-UHFFFAOYSA-N 417.535 1.752 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705948939 JHSGBUZFIBBAMT-KRWDZBQOSA-N 422.599 1.477 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCCCO 1706746429 AIPWFADOXWLCRZ-KBPBESRZSA-N 401.558 1.034 30 10 HDEE CCOc1cc(C)ccc1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1710499213 ICPBNJIXLSFNGD-QGZVFWFLSA-N 412.494 1.901 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1711521884 XIKLPJGLDJIWLG-HNNXBMFYSA-N 410.478 1.575 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722362168 MKWGEOWORPQWJD-LJQANCHMSA-N 420.560 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cc(OC)c(OC)c(OC)c1 1722378260 CEFYHBUYVDFHBD-UHFFFAOYSA-N 418.457 1.882 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1722425621 GGPVKKIRESUHRJ-OAQYLSRUSA-N 414.579 1.787 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1722428574 HNKQOYZFLISDCI-INIZCTEOSA-N 410.540 1.225 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722459167 DXBYMBCKIRSQKF-FXAWDEMLSA-N 405.568 1.449 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722527702 RBFWSPXNGQPZDW-DYESRHJHSA-N 419.526 1.491 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1722537230 VSNSNWPTXKXWRN-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722600961 SSIKGJXPFQUENH-HUUCEWRRSA-N 401.471 1.855 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC)C1 1722719417 UANBAHRMJGUMIV-GOSISDBHSA-N 413.526 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722727260 NCQPNPUPUPBMKP-QGZVFWFLSA-N 423.583 1.887 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)F 1723190881 FHHQDUKPIQWACM-UHFFFAOYSA-N 418.452 1.376 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CCO1 1730596576 XEFHGMTZEUHIRA-NQIIRXRSSA-N 413.478 1.474 30 10 HDEE CON(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1730970079 GTAVJAUJQMTIQC-HNENSFHCSA-N 412.450 1.424 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1731013886 CHYNMXZCGDAGBK-MRXNPFEDSA-N 420.495 1.161 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740556693 FPKMRAWUNBGDHC-JXFKEZNVSA-N 418.519 1.173 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1740639029 PJZFSNSYWUQGHY-IBGZPJMESA-N 414.469 1.907 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1740661652 HAPDMCCFSDFCJU-NVXWUHKLSA-N 416.551 1.863 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1740666499 ROYVISNCXQMSNW-HNNXBMFYSA-N 416.503 1.958 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1740850746 KBWRAVZWPOBKII-RBSFLKMASA-N 424.523 1.897 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1740893346 GWXRYZAUPMTWHH-MRXNPFEDSA-N 405.524 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1740959312 RPLNTCQXRDNCQV-AWEZNQCLSA-N 407.478 1.483 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(S(C)(=O)=O)CC2)cc1 1740967314 CRBCCNLTRKXJAT-UHFFFAOYSA-N 405.524 1.535 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CCC)C1 1740986022 PYIANDMJTQDCSJ-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CCC1 1740994629 QQOVZBWZXZYJCB-UHFFFAOYSA-N 406.556 1.977 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1742399239 GADQSBCHZKOURS-IAGOWNOFSA-N 415.519 1.950 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@@H]1CCOC1 1747655981 DSUUEWMIWKUPOJ-IEBWSBKVSA-N 413.478 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1748672631 VWVXCKWDGDPPJY-ULQDDVLXSA-N 410.540 1.224 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(C)ns2)CC1 1748747952 PTEYFOIVJFHUKM-HNNXBMFYSA-N 414.539 1.519 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1748751084 BPJLPZANEWODNA-OAGGEKHMSA-N 407.540 1.259 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1748824344 OKAGRBHKRWXIJP-OAHLLOKOSA-N 423.564 1.563 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1748929480 KCCOCEYKTKCGKM-MRXNPFEDSA-N 418.519 1.705 30 10 HDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)C1 1749032632 NVFLVZPSRAHVBC-UHFFFAOYSA-N 407.503 1.433 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(CCOC)C1 1749155975 OGJKOCGTHCVAKB-HZPDHXFCSA-N 404.515 1.127 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1749312339 JLAWJBNAUPETSR-FOIQADDNSA-N 417.535 1.966 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1750175431 DJGNJOZBNHRSPV-JWRCQZCYSA-N 415.519 1.865 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1F 1760173620 AFDRYRSJTCFFNG-LSDHHAIUSA-N 406.483 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC(C)CC1 1760193572 JAMMCLQXTVPECR-UHFFFAOYSA-N 405.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCC(C)C 1760205650 GYDAEETUVMLSHI-FXAWDEMLSA-N 406.552 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCc2nccn2C1 1760222803 YWBBSCWRMDFJLQ-ZJOUEHCJSA-N 422.533 1.924 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1760261190 MCBSOJQKGALSSR-IFMALSPDSA-N 423.565 1.876 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1760261191 MCBSOJQKGALSSR-IRLDBZIGSA-N 423.565 1.876 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1760352693 WJYDGWPGUOSGMY-ZDUSSCGKSA-N 405.421 1.777 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1760432346 HZOPVPOXNBCKOH-GOEBONIOSA-N 407.544 1.930 30 10 HDEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760511983 UNXVECUIYNWWCP-UHFFFAOYSA-N 402.524 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CCSC 1760521300 PCFNBSGCLOQJMG-ZDUSSCGKSA-N 420.539 1.886 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1760523380 WMEAYIWWAOHCKH-QGZVFWFLSA-N 421.509 1.692 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1761042033 MINCTIVMYXBCSI-SKQREZPOSA-N 416.526 1.864 30 10 HDEE CCn1cnnc1Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1765356495 ORSHCPZDSQCYLL-UHFFFAOYSA-N 407.482 1.671 30 10 HDEE CCC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765651723 FTPWVOAQRLUJFL-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 1772790373 QPTMWFBPHZYXRH-HZPDHXFCSA-N 414.414 1.723 30 10 HDEE Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cnc(C#N)nc3)CC2)c(C)c1 1848542720 ZVIVXHROLIHEDG-HXUWFJFHSA-N 418.501 1.919 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CN3C(=O)COc4ccccc43)CC2)CC1 1849412347 OSAIBBMRPZYQJQ-UHFFFAOYSA-N 410.474 1.413 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 1851244447 GJEAWKMICKFRAQ-UHFFFAOYSA-N 418.453 1.377 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@H]1CN(C)CC[C@H]1c1ccc(F)cc1 1851959782 YAHOXGJZUUHSMJ-WBVHZDCISA-N 414.437 1.547 30 10 HDEE C=CCOC(=O)[C@@H](CC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1 1852068077 RKRJUMCGFOVOOO-OALUTQOASA-N 424.501 1.768 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(-n3cccn3)ccn2)CC1 1852689538 LHRQGMPOOLTBOB-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccncc4)CC3)C2=O)ccn1 1854029683 FQSBSIWQNSYPCQ-FQEVSTJZSA-N 404.474 1.297 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854186759 UUNVHHIYQRVWAU-CVEARBPZSA-N 405.882 1.808 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@H]1C 1854258950 QUWVEBOVLCPBEW-PBHICJAKSA-N 409.483 1.224 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2F)C(=O)C12CCCC2 1854428817 IBJXQQGLXKPSQT-UHFFFAOYSA-N 409.439 1.041 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)ccn1 1854507775 YFQKUDRMUBSUHB-KRWDZBQOSA-N 416.503 1.128 30 10 HDEE Cn1ccc(C(=O)N2CCCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n1 1854746259 QOMODSAZAQKPCR-SFHVURJKSA-N 407.478 1.030 30 10 HDEE Cc1nn([C@@H](C)CC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c(C)c1Cl 1855019138 JHSKQHQXIIKXBO-YOEHRIQHSA-N 420.945 1.763 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN(C)CCC#N)CC1=O)n1nc(-c2ccccc2)ccc1=O 1855713485 QLGZXZFSFZCFBD-IRXDYDNUSA-N 407.474 1.692 30 10 HDEE Cn1cccc(C(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)c1=O 1856467628 UPKTXUWQFTZKPN-GOSISDBHSA-N 405.458 1.273 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN(CCN3CCOCC3)c3ccccc32)ccn1 1856502252 WPOQGTJHAODVAL-UHFFFAOYSA-N 405.458 1.669 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3Cl)C2)CC1=O 1856805183 MVJCUZBNULOYHL-CHWSQXEVSA-N 414.867 1.222 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)COc3ccc4c(c3)OCO4)C1)CC2 1857213686 SVMODDOTZVHJBV-HOTGVXAUSA-N 411.458 1.795 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3ccc(-n4cccn4)nn3)C2=O)CC1 1857256828 LSEMQWAYYDUOPN-SFHVURJKSA-N 407.478 1.809 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCS(=O)(=O)C2)CCN1Cc1ccc(C#N)cc1F 1857405947 HKXMSVLPDGEIRY-OAHLLOKOSA-N 407.467 1.081 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2c[nH]c3c(F)cc(Br)cc3c2=O)c1C#N 1866441775 OOYWVYXGLPLJMC-UHFFFAOYSA-N 415.182 1.765 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CCc2ccccc2C1 1870522247 ZGWRHPAHYBQSLI-UHFFFAOYSA-N 411.502 1.734 30 10 HDEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873591427 JUUUONWKTLHTAC-UHFFFAOYSA-N 414.510 1.475 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873593688 FXFDUHBEUGRBOH-UHFFFAOYSA-N 422.493 1.015 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 1900425732 FIWJOZOLGXCYSW-NWDGAFQWSA-N 406.292 1.115 30 10 HDEE C=C(Br)CS(=O)(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1982301904 FSCOHSGBAIEZPE-UHFFFAOYSA-N 412.350 1.367 30 10 HDEE CN(Cc1sccc1C#CCN)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2039295818 BUQOHNKISDFABK-UHFFFAOYSA-N 417.512 1.116 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162563290 ZSPVTEUYUVTHJR-AWEZNQCLSA-N 412.537 1.771 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174786340 IXDHWQNIPGPCCL-RXBISOJRSA-N 422.573 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@](C)(CN)CS(=O)(=O)C(C)(C)C)[C@@H](C#N)C1 2194937537 KTNODLMDKHBVET-KBXCAEBGSA-N 402.561 1.362 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2195307145 OVXUQXZWWJOFAU-AGIUHOORSA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247811122 FOGPBMIDSNYLKS-JKSUJKDBSA-N 420.315 1.858 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247830128 OTDHNDAITRFRHI-CQSZACIVSA-N 420.319 1.742 30 10 HDEE CC1(O)CC(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267357775 XYGOAUYSRBXGQL-UHFFFAOYSA-N 407.750 1.892 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)[S@](C)=O 2267411521 ZYMNEVFIARTTSI-JUZXBQNTSA-N 407.388 1.401 30 10 HDEE Cc1nc(C(=O)NC[C@@H]2CCCS2(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282027692 TZFIBWPLXUZNBI-NSHDSACASA-N 400.331 1.058 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282309677 JHYXREVSUIKNIJ-NSHDSACASA-N 402.347 1.288 30 10 HDEE C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336526 FLQFLOQHGYYSKK-LLVKDONJSA-N 423.387 1.149 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282344589 WCLLYSGFIXZKNS-YMXBGEKHSA-N 401.359 1.421 30 10 HDEE CCOC(=O)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282499260 OCJNHFOIMWGNBD-UHFFFAOYSA-N 403.331 1.506 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CO)C(F)(F)F)OC1(C)C 2282506588 USXVFPUJRSIFFN-SNVBAGLBSA-N 415.264 1.390 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N=[S@@](C)(=O)N2CCOCC2)OC1(C)C 2282537758 VSLIFEQYJVODJC-AREMUKBSSA-N 400.331 1.533 30 10 HDEE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282651578 CDBHRTBQSLYLLP-GXFFZTMASA-N 401.721 1.657 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)CS(N)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2282653620 FIGIBKPOHYHFBU-VIFPVBQESA-N 402.347 1.071 30 10 HDEE CCN(C)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828954 XKYWXMUOYZKADW-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CN(C)C)C1 2282835429 USQYQNBNRVJMMT-UHFFFAOYSA-N 400.375 1.538 30 10 HDEE Cc1cc(S(=O)(=O)NCC2OCCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282846269 HMJXLAJNRVOIJM-UHFFFAOYSA-N 403.331 1.397 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)C3CCCC3)s2)OC1(C)C 2282860772 GIDWUXIJIVYLDA-CYBMUJFWSA-N 401.359 1.877 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(O)CCSC1 2282868260 LBEZHPFULPVQRA-MRXNPFEDSA-N 419.399 1.502 30 10 HDEE CC(=O)NCc1nnc(SCCO)n1N=Cc1cc(Br)ccc1F 2330794709 PWFWTXGZWVVJEM-UHFFFAOYSA-N 416.276 1.782 30 10 HDEE C#CCN1CCC(NC(=O)c2c(Br)c(Br)nn2C)CC1 2364223869 AZUFWXGOECIZMK-UHFFFAOYSA-N 404.106 1.773 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2([C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365187708 CTEICZHZBZOTSL-SPYBWZPUSA-N 401.525 1.448 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367789996 FQFWRYGHGMLJHF-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 2367803424 KUFVTNIPULBINO-ARFHVFGLSA-N 400.541 1.617 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367810926 CIYHATQZCYUFBW-QMTMVMCOSA-N 400.541 1.340 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 2367826232 WSIONHSWSWMABI-DAYGRLMNSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)C#CC1(S(C)(=O)=O)CC1 2367842699 AQDDBHXLSQYAHI-UHFFFAOYSA-N 403.497 1.084 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C)c2)CC1 24709787 RHEJEGIKKCKINS-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 45668437 HQGOIXCQRPCZDO-UHFFFAOYSA-N 401.463 1.700 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70896809 FROMUOGPYLBZMD-UHFFFAOYSA-N 406.490 1.991 30 10 HDEE Cc1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1-n1cnnn1 109887372 UGLTZKSEPWFXIY-SFHVURJKSA-N 419.470 1.996 30 10 HDEE CC[C@@H](C)OC(=O)NC1=C(N2CC2)C(=O)C(NC(=O)O[C@H](C)CC)=C(N2CC2)C1=O 111462505 NDTYNPXZXAMKER-VXGBXAGGSA-N 420.466 1.242 30 10 HDEE C=CCOC(=O)N1CCC(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169887081 AUVBEOARKRKKLC-UHFFFAOYSA-N 416.390 1.094 30 10 HDEE CC(C)(C)N1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)CC#N)CC3)cc2C1=O 219528783 XCEDDZDIXKSLAT-UHFFFAOYSA-N 410.474 1.963 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)N2CCN(C)CC2)[nH]1)c1ccc2c(c1)OCO2 253571505 PAXGONKCBLYLHE-UDWIEESQSA-N 417.495 1.236 30 10 HDEE CC(C)(C)OC(=O)N(c1cc(C#N)c(B2OC(C)(C)C(C)(C)O2)cn1)C1CNC1 379448390 WRDBDCUHRJCOOM-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CCC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCN(Cc2ccccc2)CC1 409479152 PGAGEWBFDOIQSP-IBGZPJMESA-N 406.552 1.738 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)n1cnc(C#N)n1 409830487 DZESGNVKBQBZBI-NSHDSACASA-N 400.489 1.972 30 10 HDEE Cn1ncc(I)c1C(=O)N1CCN(c2ncccc2C#N)CC1 431677497 WFMVHVCFMFREGK-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)Nc3ccc(N4CCCC4)nc3)n2)cc1 434445704 LGTWYJQPSIOKDO-UHFFFAOYSA-N 416.445 1.770 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(C(=O)OC)C1(C)C 444555426 SCLUWAQYEFMTGK-UZLBHIALSA-N 422.503 1.336 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446922395 YARMYWNGEKSUCF-QMTHXVAHSA-N 415.397 1.378 30 10 HDEE COc1cc(CNC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)ccc1C#N 464698575 DSWSJXNLNYMMFT-UHFFFAOYSA-N 410.474 1.800 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c1 476216124 JUXDHCRPDVFPLC-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE N#CC1(CS(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CCC1 477495384 ZLYORRUBNXIXBA-AWEZNQCLSA-N 403.460 1.007 30 10 HDEE N#Cc1ccc(S(=O)(=O)N(CCO)Cc2cc(Br)cs2)cn1 494427705 GIOZMFHZNHLKHG-UHFFFAOYSA-N 402.295 1.960 30 10 HDEE N#Cc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 500189183 LQKJQYVYHMMLSZ-UHFFFAOYSA-N 420.516 1.640 30 10 HDEE N#Cc1ccccc1N1CCCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 501885897 YSWJXYSSEQKNAQ-UHFFFAOYSA-N 424.526 1.925 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508803081 VNYHHXYHBWSNTG-IBGZPJMESA-N 414.558 1.096 30 10 HDEE Cc1ccc(C(=O)NC2CCN(c3ccccn3)CC2)cc1S(=O)(=O)NCC#N 521293460 SJWCXIQFOSKYHC-UHFFFAOYSA-N 413.503 1.591 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 524308833 PGRXDDMSRHGECD-UHFFFAOYSA-N 413.499 1.780 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cs1 530374372 LJCSGRMBCJMBLG-UHFFFAOYSA-N 418.566 1.172 30 10 HDEE Cc1ccsc1[C@@H](CO)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 537792749 RKZAQCVTTAHWLD-HZPDHXFCSA-N 412.471 1.983 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)nn1 545865424 IOGJPUZUFQBOHF-LBPRGKRZSA-N 409.855 1.616 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](C[C@H]2CCOC2)C(=O)O)c1 548536992 DOCPEQOOIPFNEQ-NOZJJQNGSA-N 403.254 1.479 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCN(c2ccnc(C)n2)CC1)C(C)C 550839252 RZZLQLURYCCUFO-LJQANCHMSA-N 414.554 1.248 30 10 HDEE CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 555086919 FNKORWZTXZBSPD-WMZOPIPTSA-N 417.491 1.089 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 574487959 GQAYKCUTJCDNHP-SFHVURJKSA-N 417.535 1.990 30 10 HDEE N#Cc1cc2c(nc1N[C@@H]1COC[C@H]1n1nc(-n3cccn3)ccc1=O)CCCC2 585631529 LBTMHKZENWNYGI-QZTJIDSGSA-N 403.446 1.626 30 10 HDEE CCN1CC[C@H]2OCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)[C@H]2C1 590190683 VMGWPAMYSOIXOD-GBESFXJTSA-N 417.579 1.252 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C[C@@H]1CCCO1 614904078 NHLLFMKFEYWKRJ-KRWDZBQOSA-N 424.522 1.752 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1 732155143 XSLRMJNQBBFUMS-IRXVASQBSA-N 414.487 1.404 30 10 HDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732698857 LKAWNHSSIHZGIE-QGZVFWFLSA-N 413.478 1.372 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)CCN1C1CC1 732705979 AKTJNTYPLATXIN-HXUWFJFHSA-N 423.517 1.886 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCn1cnc2c(C)cccc2c1=O 734290954 BZOZWAAVVAYSQD-UHFFFAOYSA-N 410.455 1.780 30 10 HDEE Cc1ccc(-c2ccncc2)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737304796 BTJRHJSWMIUMSN-FMQUCBEESA-N 419.441 1.638 30 10 HDEE CCCCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)c1 737305257 GBTYPBIMWFQQON-VHEBQXMUSA-N 414.462 1.755 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc(C)c1CC 743908693 HATLRYCJJVUCIW-CQSZACIVSA-N 418.519 1.933 30 10 HDEE CCN(CC)C(=O)CN1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 746775325 JJFLBTQPKLXSHJ-UHFFFAOYSA-N 401.511 1.653 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 750132684 CEINBANUNYCGBJ-DNZUHHBVSA-N 402.838 1.478 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1OCCN1CCOCC1 751219424 POJBDCUDIJCXOM-UHFFFAOYSA-N 416.503 1.529 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 752291729 CGMAHPVISNBDHO-OAHLLOKOSA-N 413.499 1.777 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 753831606 UCZZBSOPZPGGGY-CYBMUJFWSA-N 418.496 1.241 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)Cn2cc(Br)ccc2=O)CCCCC1 760388042 KLKJOLDNLGVZAP-UHFFFAOYSA-N 416.297 1.531 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(CCO)CCOC1 762576976 WCJXZDFRWXSGFK-HXUWFJFHSA-N 423.535 1.191 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2nc[nH]c2C1 764893739 XFZKNYQQTKHQES-CQSZACIVSA-N 415.519 1.682 30 10 HDEE CCCCS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 765338839 FCMLBYCBHXQBMS-ZPHPHTNESA-N 405.476 1.517 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1OCC[C@H]2O 768474640 WORNLXZHZBYULC-OAHLLOKOSA-N 401.444 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(c3cnc(C#N)cn3)C2)CC1 771991965 KUZOULXUBFUTDB-OAHLLOKOSA-N 400.483 1.644 30 10 HDEE C#CCN(C(=O)[C@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 776899459 GBTBBUBDFCPPRV-PXNSSMCTSA-N 422.478 1.386 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(F)(F)C[C@H]1CO 781334104 DQEZULXOFRXKDE-ZDUSSCGKSA-N 415.462 1.514 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)NCCc1nc(C(=O)OCC)cs1 787909708 XXZBDTHEITYZSM-UHFFFAOYSA-N 401.444 1.629 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(S(C)(=O)=O)c2)n1 788648747 BEPFONKSGLCUQV-UHFFFAOYSA-N 404.492 1.909 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2c(F)cccc2CC)c1=O 794646086 UZMKWOZIAJTSAY-UHFFFAOYSA-N 411.502 1.664 30 10 HDEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)no1 798245360 WBOLGOGJJNWIQM-HKWRFOASSA-N 406.420 1.526 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)CC1 804761180 XXTJCRQLVSVWMF-RTBURBONSA-N 414.506 1.745 30 10 HDEE CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCN(O)C2=O)[C@H]1c1ccccc1OC 816693937 VTYRAYYRDAEGDQ-TXPKVOOTSA-N 403.479 1.881 30 10 HDEE C=C(Br)CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 921042853 DNCSYMAILHHYFL-LBPRGKRZSA-N 406.302 1.717 30 10 HDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)c1 1084178088 IFVYWULHTRIGAB-UHFFFAOYSA-N 417.451 1.154 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3ccco3)n2N)cc1OC 1084576653 MTBNXQANJGYQNZ-UHFFFAOYSA-N 417.451 1.779 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1116568903 ZGOHFHODOOPTMJ-CYBMUJFWSA-N 408.398 1.667 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nnn(C(C)(C)C)n2)cc1 1125202138 DGJOZEQUNORLIU-KGENOOAVSA-N 405.484 1.493 30 10 HDEE CCOC(=O)N1CSC[C@@H]1C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 1127753455 KNYQSGNLENVSLJ-CHWSQXEVSA-N 409.464 1.925 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3([C@H]4CCCCO4)CCOCC3)CC2)c1C#N 1128030757 QPBZOMVVKMFUBQ-GOSISDBHSA-N 401.511 1.615 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 1136281742 NTXNFRRNCZOJDO-LQFHHUIYSA-N 420.495 1.114 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(NC(=O)OCC(F)(F)F)ccc2O)CC1 1137370997 DZCGEOOPXFXPPF-UHFFFAOYSA-N 414.340 1.701 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1140964447 FPNCCUXBJQZESK-KGLIPLIRSA-N 403.298 1.577 30 10 HDEE CC(C)(C)OC(=O)CC1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCC1 1144762003 MMAIYLHXFGXRHU-UHFFFAOYSA-N 407.492 1.607 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C[C@@H](C)OC[C@H]3C)ccc2c1=O 1146890658 LVYKTPXHKPYIQS-ZIAGYGMSSA-N 402.520 1.710 30 10 HDEE N#Cc1cn(CCNC(=O)c2nc3ccccc3cc2Br)c(=O)nc1O 1148392590 ANQFFCCYTPVVKY-UHFFFAOYSA-N 414.219 1.561 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC([C@H](F)C(N)=O)CC3)CC2=O)cc1Cl 1150162988 IDHCLPOVAJVGGW-DYVFJYSZSA-N 406.845 1.627 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1C#N 1158939363 CAZOEPZRKXHDBN-GOEBONIOSA-N 419.503 1.710 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(CC)cc3)o2)CC1 1175514680 DKRMYZPUNLBTIA-UHFFFAOYSA-N 401.488 1.734 30 10 HDEE CCOC(=O)CON=C(C(=O)N1Cc2ccccc2N2CCC[C@@H]2C1)c1cc[nH]n1 1175837835 MBPDFXDUTSUIDZ-MRXNPFEDSA-N 411.462 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H](O)c1cnc[nH]1 1177837009 HLEYLEZVLAYJLW-QZTJIDSGSA-N 411.462 1.965 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(Cl)c2Cl)CC1 1216327050 CERKCPBXDCGGMQ-UHFFFAOYSA-N 405.307 1.919 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1233928094 MYWVYZDCIZYDEO-KRWDZBQOSA-N 404.486 1.311 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)OC(C)(C)C)C2 1251708134 LFAHUJORVCTVKI-QGZVFWFLSA-N 408.543 1.657 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1253866879 GWGISNGRBBWSKQ-HNNXBMFYSA-N 405.524 1.108 30 10 HDEE CCN(CCC#N)C(=O)CNC1(CC)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1281021995 UDAIZWGTEFLQSI-GJNTUIEKSA-N 402.539 1.533 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCCOC)CC1 1286349603 KNQZECUBTIAPLA-KRWDZBQOSA-N 424.567 1.616 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286560880 JYJINUNILQWHAI-NUJGCVRESA-N 419.551 1.888 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccccc2)C[C@@H]1C 1286785778 IMTCZPHYTQGTHZ-JQHSSLGASA-N 408.506 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1286818789 ODPHWCUNCVLMCH-YOEHRIQHSA-N 405.524 1.878 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1287007464 NYHZRDRTVCFVRE-QGZVFWFLSA-N 412.494 1.916 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2COCCO2)CCOC1 1288303786 ZJNZTSUMYYDZEV-LAUBAEHRSA-N 419.526 1.864 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1290076643 CKRSCTKINKLKMT-BLIXFSHQSA-N 413.478 1.434 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(-n3cccn3)c2)s1 1290832094 GNMOLQHMWSJGPR-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C1CC1 1291524114 GHWDRZVURORCLM-ZDUSSCGKSA-N 409.494 1.853 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)C[C@H](C)O1 1291584337 BTIAACZCUJHMAD-STQMWFEESA-N 415.425 1.602 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC[C@H]1COCCO1 1293114086 RVPXVQDBGADUSP-CVEARBPZSA-N 412.498 1.023 30 10 HDEE CCNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1295029154 GYBVMGOSPGDLPT-ZDUSSCGKSA-N 402.476 1.901 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)c1 1300117509 YZJDYNYQBOTJNI-OXQOHEQNSA-N 404.488 1.404 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1300285189 XZIWYLGDZSDMNQ-AUSJPIAWSA-N 418.519 1.346 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1300363616 FDTNUXDWBNOBDW-QGZVFWFLSA-N 400.527 1.970 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1300404393 YNMPUXMKKFUXKO-AWEZNQCLSA-N 419.507 1.433 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2C[C@H]2CCCO2)n1 1300681708 ZHCVTWVRLXRFPV-RTBURBONSA-N 414.510 1.791 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCCCS(C)(=O)=O 1300778712 FVXUNVDYYQWRCN-HXUWFJFHSA-N 421.567 1.721 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@@H](O)C34CCC4)CC2)cc1 1300842584 UTAVDGRMJIWEJN-QZTJIDSGSA-N 403.504 1.379 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2c(cccc2OC)C1 1301496763 GNYSFRKTDDUAPA-UHFFFAOYSA-N 405.462 1.609 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCS(=O)(=O)C1 1304852808 DJYHDNWGDQDQIV-MRXNPFEDSA-N 418.498 1.359 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1305262040 JFRKQSCYYJEKHZ-IBGZPJMESA-N 423.521 1.838 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@H](C(=O)N(C)C)C2)c(C#N)cn1CCOC 1310522867 DHIMTLATSYQISS-ZDUSSCGKSA-N 405.455 1.125 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1314940487 ZYVAJEIYRDFRIX-SJORKVTESA-N 421.505 1.304 30 10 HDEE COC1(C)CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315259092 YMSWJBPBHUADBA-FBMGVBCBSA-N 411.466 1.035 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2COc3c(F)cc(F)cc3C2)n1 1346641370 WRKZRLBCKNGMMK-KRWDZBQOSA-N 404.417 1.956 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1358961936 HIOOHSNPSUKSIE-DLBZAZTESA-N 424.567 1.962 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1359007373 HJOFCURFAFXDQK-QFIPXVFZSA-N 422.489 1.457 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359226410 FKJSISJCHQUYEB-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359298878 OHAPTBSGAYMKIS-KKSFZXQISA-N 412.494 1.335 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359307059 ZLRRDCAGYLUXOH-GOSISDBHSA-N 424.505 1.593 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CC(C)C)N(C)C)C1 1359319712 DUWBYDXXXQUOSA-KSZLIROESA-N 404.559 1.987 30 10 HDEE C=CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccncc1 1444212038 XAKVAXHDDOESDN-KRWDZBQOSA-N 423.516 1.197 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1453341757 BOWCBALZUOJVSR-WMLDXEAASA-N 414.549 1.620 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ncc(-c3ccccc3)o2)CC1 1455114980 JLIAWRWPTKWUEO-UHFFFAOYSA-N 416.503 1.276 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NCC#C[C@H]3CCCCO3)cc2[N+](=O)[O-])CC1 1457028639 JDXAHFZIBYUYGB-GOSISDBHSA-N 414.462 1.566 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 1462320649 AVFTWNONJYJDDI-CYBMUJFWSA-N 407.477 1.834 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNc3cnccn3)C2)C1 1464506579 JVIJEEHSMGIGJI-RDYUPDBUSA-N 400.483 1.792 30 10 HDEE CC(C)(CS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1466783685 VAZPORNKHKETIT-UHFFFAOYSA-N 414.325 1.696 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NCC#N 1469872962 YIMOLNRFVHILPU-GOSISDBHSA-N 412.471 1.474 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC1CCCC1 1472285516 ZTUIHNRAGAISPK-WMLDXEAASA-N 421.519 1.711 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NC(=O)Nc1ccc2c(c1)OCCO2 1473620457 IUVKLKVSCUBSNR-AWEZNQCLSA-N 417.462 1.771 30 10 HDEE N#Cc1csc(CNC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)n1 1479440350 ADAZYTOSZXTMFD-UHFFFAOYSA-N 405.505 1.751 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493243622 HOOGOBNACHVFAK-NRPVIZNNSA-N 414.510 1.791 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1504710538 BKUDUPSBXDVLJY-GOSISDBHSA-N 413.478 1.210 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@@H]2CO)C1 1505314651 IAPBSSYFJZTTNY-OXQOHEQNSA-N 401.490 1.952 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1505322957 CNDZBCOKYLDOMW-HOTGVXAUSA-N 421.548 1.626 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1507562493 KRQMDSFGVDVEGN-KRWDZBQOSA-N 419.493 1.426 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507580962 OMMFNOHLJHCYJK-SFHVURJKSA-N 417.535 1.885 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS1 1507710921 WYDIVMWDDPPOLG-CQSZACIVSA-N 403.508 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CC2)CC1 1507791020 GTOMNFBGLHCBGQ-OALUTQOASA-N 416.570 1.930 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1507791181 ISUWXANWQLIHRS-ULQDDVLXSA-N 400.483 1.224 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1507895813 DAKCQQYFKYXNIL-WBVHZDCISA-N 412.556 1.839 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1507958082 ZNTPZXLHZGXGEG-UHFFFAOYSA-N 418.542 1.600 30 10 HDEE C=CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O)C1CC1 1507993266 CHEKKKYOHKASPZ-UHFFFAOYSA-N 414.491 1.793 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1C(C)(C)C 1508097690 JXMZIHUQADADGP-CQSZACIVSA-N 416.530 1.452 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1519276055 HNCFGJPJCQINLB-IFXJQAMLSA-N 420.493 1.839 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1524046456 IESVVKRHJMQUBZ-NTHNXFDUSA-N 417.550 1.042 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1531928333 QHLZWAYKAYIYHE-ROUUACIJSA-N 409.849 1.206 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(CCc2ccccc2)nn1 1533848647 DOGGEXRRSKSABJ-MRXNPFEDSA-N 402.462 1.533 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1538992540 TWVOQNRASODXRT-HNNXBMFYSA-N 400.479 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1538993975 WDKFNOPJFHPLQO-OAHLLOKOSA-N 400.508 1.604 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H]1CC 1539125398 LUHFNWSJUJCWEX-BBWFWOEESA-N 409.556 1.649 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1539141345 FVRIXWIDONFHMS-UFYCRDLUSA-N 417.554 1.574 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1snnc1C 1539337383 IBZXNHDXEGSRRZ-RDJZCZTQSA-N 400.508 1.673 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](OC)C2CC2)CC1 1539427629 FJIPJBNNOQQHMO-SFHVURJKSA-N 402.543 1.377 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539744166 DHLHGLARIPLWOE-CVEARBPZSA-N 402.499 1.023 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540004569 BCHKQCRYOXNJNJ-ROUUACIJSA-N 423.583 1.447 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1540088871 QYOQYJVLLSQXIC-HNNXBMFYSA-N 406.508 1.923 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1540862165 UABABVRHFTZXSS-UHFFFAOYSA-N 408.466 1.358 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876336 OBWBPRZVWOVAFO-RTWAWAEBSA-N 416.526 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC(OCC2CC2)CC1 1540902382 ICFQPGIUTBMFOT-QGZVFWFLSA-N 424.567 1.778 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)N(C)C 1541362175 FDJFZXNBXRGNHD-UHFFFAOYSA-N 410.526 1.863 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 1544117076 MSLYBIIDXWKMQP-CQSZACIVSA-N 406.277 1.565 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)Cc1c(C)cc(C#N)cc1C 1556930481 QOBKSFNAEVQSCS-WMLDXEAASA-N 403.504 1.687 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 1557933895 CRCPIGUCADKFER-ZDUSSCGKSA-N 409.291 1.809 30 10 HDEE C=CCCC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1558383967 ZQLGQZMMDRTCSB-HNNXBMFYSA-N 407.492 1.519 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C(=O)OC 1561829486 QFDGLOUCJRUHEE-AWEZNQCLSA-N 418.537 1.769 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1C#N 1565327634 YJQQHLAVLGELSJ-UHFFFAOYSA-N 416.507 1.125 30 10 HDEE COc1cccc2c1CCC[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1565467559 OSBRJXLNPJPBHQ-RZQQEMMASA-N 403.504 1.522 30 10 HDEE Cc1nc(CN2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)n[nH]1 1565963683 WKVQBMUDSIERLD-UHFFFAOYSA-N 403.284 1.634 30 10 HDEE C=CCc1cc(C(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc(OC)c1OC 1570238673 AGBGEBBQFPWARL-UHFFFAOYSA-N 411.524 1.433 30 10 HDEE C#CCC1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C[C@H]2OCC)CCC1 1573216316 KESSIRHGYGYHOZ-PXTPFGJHSA-N 402.535 1.975 30 10 HDEE C#CCN1CCCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 1586493885 LIHIQVLMFUZELO-UHFFFAOYSA-N 420.307 1.732 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(F)cc(I)c2N)CCN1C1CC1 1587317669 UYKQVFOIISNKBU-NSHDSACASA-N 414.222 1.825 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1587909496 MEUOIVDQEQFTCN-ZDUSSCGKSA-N 409.487 1.348 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCC(=O)NCc1ccccc1 1588134003 RFMBYVWMFHCREQ-HXUWFJFHSA-N 405.502 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1588250684 HSDRERAPUFJZBH-QHCPKHFHSA-N 418.501 1.258 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1588271911 RDVOHWWMWKXZEH-FQEVSTJZSA-N 401.467 1.299 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC(C)(C)O)n1 1588723850 QDKWYNBPSCCEBB-UHFFFAOYSA-N 423.521 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCN(C)CCOC)CC1 1588907814 GQRCVVCOTOWOQT-UHFFFAOYSA-N 424.549 1.489 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC)C1 1589528212 DIYMQNZMMPIZNK-JZXOWHBKSA-N 400.483 1.568 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCS(=O)(=O)C1 1589580237 NHSYDJWWTQXTMW-YCPHGPKFSA-N 406.512 1.639 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1594168449 NNDRMLHPAYGMCW-SFHVURJKSA-N 417.602 1.845 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCNS(=O)(=O)CC)CC1 1594247077 GDZPOTTUSFGOPA-UHFFFAOYSA-N 418.567 1.996 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1594948441 GKMRDNJCDPSGPF-HNNXBMFYSA-N 400.483 1.887 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1595428498 RKFZRXTZGJKIMI-UHFFFAOYSA-N 415.586 1.581 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1597739485 GEYVASABGNMCEH-BRWVUGGUSA-N 416.526 1.452 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1598070240 SBMCDBRMOLQBGF-CABCVRRESA-N 424.498 1.244 30 10 HDEE CO[C@H]1CCn2cc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)nc2C1 1611231661 SRBXUGXUKVVPBS-NSHDSACASA-N 420.267 1.641 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1611723358 AZGCPZGERDEMIW-VCBZYWHSSA-N 403.508 1.870 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1615803294 IADOEOCMGNBARU-IRXDYDNUSA-N 424.571 1.031 30 10 HDEE Cn1c(C(F)(F)F)nc2cncc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c21 1616348190 VOLRSEZVMMBHKJ-QINSGFPZSA-N 408.340 1.243 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)c1 1622182498 YMGPSCXDQWEKLQ-INIZCTEOSA-N 416.463 1.095 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1 1624318927 BOTCBWPEXJWZFS-UHFFFAOYSA-N 413.482 1.668 30 10 HDEE C=CCN(C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1626455933 AKYRMEBGKQRQDP-GJZGRUSLSA-N 403.545 1.033 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1627118743 IVWAJDNYNVJGSD-MRXNPFEDSA-N 415.494 1.735 30 10 HDEE N#Cc1cn(CCNC(=O)CSCc2coc(-c3ccccc3)n2)c(=O)nc1O 1630030274 AMYBVGIZCZTCSO-UHFFFAOYSA-N 411.443 1.525 30 10 HDEE CCN(CCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1630721952 CEYXPWFFRRCFJN-UHFFFAOYSA-N 415.556 1.425 30 10 HDEE C=CC1(CC(=O)NCCS(=O)(=O)CC(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1632287571 IINRKHWFGLEWSV-UHFFFAOYSA-N 414.446 1.893 30 10 HDEE N#CCc1cccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)c1 1633505938 HMEZQCJRNKNQLC-UHFFFAOYSA-N 412.515 1.489 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1635082730 WZYQSCSTGUUWOZ-OAHLLOKOSA-N 415.519 1.645 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](n1cccn1)C(F)(F)F 1637263922 WGTXTTTXPAADHP-TZMCWYRMSA-N 408.388 1.568 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)C1 1639269938 LDQWYPBVBAPVCC-CYBMUJFWSA-N 408.867 1.803 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1639426141 WMAKWUUEVPNZBU-UHFFFAOYSA-N 410.323 1.896 30 10 HDEE CC(C)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)C(F)(F)F 1640547153 KHZOIXPBGRUNBH-GJZGRUSLSA-N 421.441 1.569 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CC1 1641976452 JWYIEUSFPHCIRJ-UHFFFAOYSA-N 406.504 1.083 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1644587581 NYFHOSBBHLTOAN-HKUYNNGSSA-N 421.453 1.874 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC23CCN(C(=O)OCc2ccccc2)CC3)CC1 1644604284 CFNCZAZLLLYVTR-UHFFFAOYSA-N 424.545 1.641 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCO[C@@H](c3cccc(C#N)c3)C2)CCC1 1645160653 MPPQSMRBVIHXLB-MOPGFXCFSA-N 421.563 1.933 30 10 HDEE C=CC1(CC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)CN(C(=O)OC(C)(C)C)C1 1645679895 PAFMQNQNXMNQBF-QFIPXVFZSA-N 423.554 1.532 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1645711865 IBPMUUAFUYFQKE-AWEZNQCLSA-N 417.491 1.288 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(N3N=C(C4CC4)CC3=O)nc2)cc1 1646045966 UQSSOYTUMMYWRB-UHFFFAOYSA-N 402.414 1.824 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1646361375 FQSYWWVAWGSHFH-QGZVFWFLSA-N 407.430 1.021 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@@H]4COCC[C@@H]43)C2)C1 1647779692 RBMCDFGEGBTHDM-DGZZAILSSA-N 405.495 1.790 30 10 HDEE CCCn1cc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1651259191 DYSIQASDRCDKHB-MRXNPFEDSA-N 418.523 1.458 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)ccn2)cc1 1654613964 CHCAMQYNLKNIDP-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE C#C[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1654868005 PETLYRYHBLTCMZ-ROUUACIJSA-N 419.547 1.688 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C)[C@H]3CCC[C@H]3C#N)CC2)cc1C 1655296743 MCBMPBZLISPVDB-ICSRJNTNSA-N 418.563 1.760 30 10 HDEE COc1cc(CNC(=O)CN2CCc3c(sc(N)c3C#N)C2)cc(OC)c1OC 1660489362 HEBWPLLCNIFAAX-UHFFFAOYSA-N 416.503 1.902 30 10 HDEE C=CCN(CCOC)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1661761030 ZEDVCQQCJDJRPZ-GOSISDBHSA-N 412.508 1.488 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)sc1C(=O)OC)C1CCOCC1 1663236260 WKUUHORDKUGEPQ-NSHDSACASA-N 401.462 1.028 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(C)c(I)c1)C(=O)OC 1664367915 PVCJGPIRUIATCZ-LBPRGKRZSA-N 407.229 1.443 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(n2cnc3ccccc3c2=O)CC1 1666184605 HDXYFPIOVAYBKZ-UHFFFAOYSA-N 419.507 1.140 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1672601702 YDRBPYDDQRDUDV-OAHLLOKOSA-N 407.492 1.593 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(F)cc1 1683664518 PZONPVRLZBDYSU-MSOLQXFVSA-N 409.483 1.336 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1689850785 HKXRPKHKDGJVHQ-IRXDYDNUSA-N 421.567 1.431 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1689930718 YBECEAOFXMZYBW-SFHVURJKSA-N 413.547 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1 1690092406 HFVBHBTVQIOLGE-UHFFFAOYSA-N 421.461 1.463 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCCC1(C)C 1690105980 GXXXHVSMCUUTSS-NRFANRHFSA-N 403.527 1.428 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCNC(=O)C2CCC2)CC1 1690363807 BULJINGYOUTZFD-OAHLLOKOSA-N 424.571 1.351 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1690677295 UACYBLGKKLAHTG-PMACEKPBSA-N 402.499 1.362 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697824799 LOBLYYFKCHCBSD-CZIZESTLSA-N 423.477 1.583 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705531619 QDWJBWRHGVYFEJ-ZDUSSCGKSA-N 407.496 1.289 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1705533528 OJYSIYGBBNYLAL-KRWDZBQOSA-N 420.473 1.375 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705563949 IIFSTIXHSPOWGR-AWEZNQCLSA-N 420.922 1.750 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOC 1705591558 SDNNYUNNPUYKJN-UHFFFAOYSA-N 400.504 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1ccnn1 1705591933 ZZGCGSMMNMJSDT-UHFFFAOYSA-N 404.434 1.998 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCC1 1705666433 FSKBLTUHGBPTEL-MAUKXSAKSA-N 409.556 1.697 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705882891 OHWXMRFARXLCND-LJQANCHMSA-N 406.508 1.134 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCOCCCO 1709138602 KUNWPOYQPHNWIV-UHFFFAOYSA-N 402.474 1.577 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1710986281 AYCUOLPQEQEDLD-UHFFFAOYSA-N 404.478 1.560 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCSCCCO)cc1 1712878835 LBSMJAICONSNNM-UHFFFAOYSA-N 414.535 1.634 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1722279661 PTJMTNNBZNVMOS-ZDUSSCGKSA-N 404.540 1.775 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1722294076 FYGUZRSDVBFHLV-UONOGXRCSA-N 424.473 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722301884 OJLLXKFALQPNFY-PKOBYXMFSA-N 415.563 1.945 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722304018 TYKSEDQACISQDO-KUHUBIRLSA-N 422.482 1.004 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@]2(O)CCO[C@H]2C)c1 1722308574 CLGRIXJVEJDWOJ-OYHNWAKOSA-N 409.490 1.752 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722330297 QUDIZVNLVXCPEB-SFHVURJKSA-N 412.519 1.748 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCN(CC)CC1 1722351766 CJAUWTFXWFPIIV-UHFFFAOYSA-N 413.526 1.103 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1722365468 DRGPGYDQZQPCNC-ZWKOTPCHSA-N 404.536 1.909 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccsc1 1722374523 WNNNPQGQKLWNMN-RTWAWAEBSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1722380171 HBNLLEABGRNRKJ-KRWDZBQOSA-N 414.469 1.610 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(C)(C)C(=O)NC)CC1 1722445358 VUNRPQADFFMAGT-HNNXBMFYSA-N 402.543 1.530 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1722464636 MMTKXMZTUPIYPD-BQFCYCMXSA-N 419.551 1.180 30 10 HDEE C=CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1722622213 HSGLZQRWAJTVIK-APWZRJJASA-N 412.556 1.910 30 10 HDEE C=CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1722686247 UOVQGOYIZSRGEB-QGZVFWFLSA-N 406.575 1.716 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1722701339 NRGISAVRNKFXGP-UHFFFAOYSA-N 403.531 1.165 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1722703758 GVOFWFGCUKMAIR-UTKZUKDTSA-N 421.542 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1722728546 WWTBDZCKJIZZDL-GOSISDBHSA-N 404.471 1.691 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1723341136 DPUIYGPUANADSM-SFHVURJKSA-N 412.494 1.731 30 10 HDEE Cn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1729591325 CDQAFXVUBOQEKB-UHFFFAOYSA-N 420.525 1.637 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1730719324 DCLPEMLSTKJIBU-UHFFFAOYSA-N 406.512 1.227 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)N1CCOCC1 1730928737 AEFLBNNVTHLZNF-OWSLCNJRSA-N 406.531 1.461 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1740536981 QETWHYFMBAVBOS-CQSZACIVSA-N 423.477 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1740539651 QOAYYEHCDUBWFI-AWEZNQCLSA-N 412.450 1.593 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N(C)C(=O)OCC)CC1 1740579098 LOFMJNQVHHDJPV-UHFFFAOYSA-N 404.515 1.887 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1740610493 CSINZDBIEJYXLO-VEGGFIAOSA-N 415.519 1.394 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740626745 YSHHHHFOMVUFEA-QZTJIDSGSA-N 405.568 1.198 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC1([S@@](C)=O)CCC1 1740629097 AJRUOONRFLAKGG-MUUNZHRXSA-N 403.552 1.571 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCCCC2)CC1 1740688377 FNTDKFHBOOOZDC-LJQANCHMSA-N 415.586 1.294 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1740783478 JEPIZIYCQLFVOV-IAGOWNOFSA-N 418.542 1.344 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1740790691 VMJBOGWADUSQJM-UHFFFAOYSA-N 412.538 1.796 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCS(=O)(=O)CC)CC1 1740842906 PZEHLFMBVWAZSG-IRXDYDNUSA-N 412.556 1.839 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1740868740 RTBYCZNKFZZVHN-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC(=O)N1CCOCC1 1740894975 OLQFVIUNAOGJOT-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@H](CC)C1 1740955399 TVZYCDBLGZBMFS-GOEBONIOSA-N 413.478 1.980 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 1740964525 QEGOWSYAEIBMLO-HNNXBMFYSA-N 415.498 1.761 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1741001309 QWLNOOUGMJTHDF-HOTGVXAUSA-N 406.556 1.453 30 10 HDEE CCN(C)C(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1745898122 QDROQPYUWUGGSV-MOPGFXCFSA-N 408.478 1.239 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1747373433 FYEVDCNMKSXEFC-UHFFFAOYSA-N 409.494 1.955 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1748721284 GZDLGCOSCLIILD-UHFFFAOYSA-N 422.580 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1748927865 WMZBDINTTBZYBT-ZDUSSCGKSA-N 406.288 1.348 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748999467 XAMZEVOEBARMSW-HSZRJFAPSA-N 422.533 1.399 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)COC)CC1 1749009068 FNMQFFGUOBZHAW-WMZOPIPTSA-N 403.527 1.768 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1749122696 ZJVLHZUFCRPKAT-LMMKCTJWSA-N 413.526 1.965 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1749211263 WHQGBJKRNRLXGE-KRWDZBQOSA-N 420.558 1.702 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1749413262 SRJWNPVYPRDOPV-HNNXBMFYSA-N 421.571 1.972 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749471556 QHGOJRRMMPJXBT-HNNXBMFYSA-N 405.524 1.857 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749667234 VFBBLRBDKSLCRU-IERDGZPVSA-N 412.494 1.335 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1749755449 ZOMBPBZHDHXZKN-OAHLLOKOSA-N 406.556 1.630 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC=CCO1 1749831386 ZTAOOVMUZJQMAK-HNNXBMFYSA-N 414.466 1.717 30 10 HDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(=O)NC)CC1 1760156843 VLRUUBFKEGOUNB-UHFFFAOYSA-N 410.522 1.947 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1760182529 KAFIPIOSSMDRBD-ZDUSSCGKSA-N 417.482 1.088 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)c(OC)c2)CC1 1760261093 KJKNBFZQZZWSOA-UHFFFAOYSA-N 422.533 1.521 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCC[C@H]2OC)CC1 1760261600 UEXNXWGCIBJKHL-WOJBJXKFSA-N 411.554 1.710 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC(C)C)CC1 1760272922 FDJLNSIBTHBSEY-GOSISDBHSA-N 403.527 1.911 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)COCC 1760464273 DMTXEJQKTZBIIH-OAHLLOKOSA-N 415.560 1.296 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1760464559 JZKHYHBWRMEXTL-UHFFFAOYSA-N 413.526 1.616 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760936536 ZCWHVHPWXBBUFH-CWFNNOHCSA-N 402.499 1.789 30 10 HDEE CC[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1763351245 DRQZJENDHOEYIM-HYLQGWQCSA-N 414.510 1.935 30 10 HDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1)C1CC1 1766883501 FLVISDYLTUVRFZ-UHFFFAOYSA-N 422.537 1.762 30 10 HDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CCOC1 1769781075 HMAWVKYIKIMDNW-UTKZUKDTSA-N 413.478 1.759 30 10 HDEE COC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770934860 ZDZUXAAZJNECTE-NZKCYVOASA-N 416.482 1.129 30 10 HDEE N#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)CC1 1848922151 FOQHBFRCPKDAMU-UHFFFAOYSA-N 403.504 1.784 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1850056406 YQDCBBQJIHNEHL-QGZVFWFLSA-N 409.527 1.688 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@H]1CCN(C)C1=O 1850863795 UUQDKOLURFWTID-HIFRSBDPSA-N 405.882 1.947 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2cccc(C)c2)CC1 1851075113 OHTIEAYMKKWWJL-HXUWFJFHSA-N 405.564 1.856 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1852895105 ARJIBCSNNISZTA-ZDUSSCGKSA-N 400.501 1.312 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccccc4C)nn3C)C(=O)C2)C1 1853740902 GCOSKAUYAMEUOJ-GOSISDBHSA-N 407.518 1.940 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N(C(C)C)[C@@H]3CCS(=O)(=O)C3)C2=O)cc1C#N 1853859490 PBGZNWBUZHTWFL-RTBURBONSA-N 417.531 1.895 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2nn(C)c3c2CCC3)C1=O)[C@@H]1CCN(C)C1=O 1854081778 CALWYOMLZPLUCG-ZWKOTPCHSA-N 413.522 1.149 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2ccccc2OC)C1=O 1854131809 SCEWRPQZBIQVIZ-OALUTQOASA-N 413.518 1.864 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccccn4)CC3)C2=O)c1 1854204633 UGADCAJBGATDIF-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCCN3c3ccccn3)C(=O)C2)c(F)c1 1854238984 BLHQTCWZAXHHTK-IBGZPJMESA-N 407.449 1.932 30 10 HDEE CCn1cc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c(C)n1 1854271643 VLSXIMPXSGQZGD-GOSISDBHSA-N 408.462 1.373 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCC[C@@H](N2CCN(c3ccc(OC)nn3)CC2)C1=O 1854310591 CBKMCINOTMUPOH-DLBZAZTESA-N 401.511 1.727 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)C(=O)C12CCCCC2 1854404314 MMBJXDALWSNCFK-UHFFFAOYSA-N 411.430 1.805 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)[C@H]1C 1854701106 YPSOXHDKYYYLGS-OAHLLOKOSA-N 403.454 1.298 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855073456 AQOAEUKFYLEEPJ-QZTJIDSGSA-N 411.568 1.608 30 10 HDEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CCN(CCCC#N)CC2=O)CC1=O 1855552823 KWWAWHMSWLOZSD-HNNXBMFYSA-N 402.882 1.976 30 10 HDEE COc1cccc2c1CCN2S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856306032 JJSCVRQCGPZNCY-UHFFFAOYSA-N 411.439 1.776 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C[C@H]1CCOC1 1856907200 XIPDNJOULCYKAR-CQSZACIVSA-N 405.476 1.453 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccn3ccnc23)C1)[C@H]1CCN(C)C1=O 1857062946 SUHMBVIBUYJGJW-WMZOPIPTSA-N 409.490 1.432 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3cccc(Cl)n3)C2=O)CC1 1857071798 UETMKVUVCYFUKJ-INIZCTEOSA-N 410.865 1.565 30 10 HDEE O=C1CSC(=O)N1CCNC(=S)N/N=C/c1ccccc1Br 1860498300 WCNAFFGLALIKSP-FRKPEAEDSA-N 401.311 1.943 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 1861174504 RLUDQZRBKDKNQT-KRWDZBQOSA-N 406.914 1.214 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870563849 QVASKFHGNYTCDK-UHFFFAOYSA-N 424.545 1.753 30 10 HDEE CC(=O)N[C@@H](Cc1ccccc1F)C(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1891394707 BYPJJQYEJAPLHY-WMZOPIPTSA-N 411.437 1.605 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 1891934485 IXMAQXFLIPJFMF-UHFFFAOYSA-N 414.487 1.610 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NCc1occc1B1OC(C)(C)C(C)(C)O1 1898129984 SSMMDTUXNQHECF-HUUCEWRRSA-N 408.304 1.961 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1959525050 SSGHWBZRSDQZFX-CHWWFWEZSA-N 410.515 1.849 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC 1982283500 NXGWJTVMBQCINT-VXGBXAGGSA-N 413.334 1.839 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC(=NO)CC1 2046024896 DWMHFWRMOOEVIZ-SFHVURJKSA-N 411.455 1.657 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)[C@H](CS(=O)(=O)N1CCOCC1)NCCC 2145729613 IELLSMQAGQKFCI-HOTGVXAUSA-N 405.561 1.486 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2C#N)[C@@H]2CS(=O)(=O)C[C@H]21 2162863301 QINLBPFSNVOLNS-VXGBXAGGSA-N 413.887 1.224 30 10 HDEE COCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CC(C#N)C1 2174777804 PEKBMNGDPDYDPM-HNNXBMFYSA-N 402.517 1.034 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@](CO)(C(F)(F)F)C1)C(F)(F)F 2180827295 DPPAQVKGHQIBMI-IUCAKERBSA-N 404.229 1.759 30 10 HDEE C[C@H](NC(=O)N[C@H](C)S(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2203126762 SCRDMINDKLVQBO-QWRGUYRKSA-N 402.347 1.798 30 10 HDEE CCN[C@H](C#CP(C)(C)=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2225391924 GEJKLVIYXSCGMJ-HUUCEWRRSA-N 406.485 1.972 30 10 HDEE CCOC(=O)NS(=O)(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237724053 HLBHECMEOVDTES-UHFFFAOYSA-N 404.319 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243405485 HGKHWDWAUJGBBS-CABCVRRESA-N 403.288 1.776 30 10 HDEE Cn1cc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247824663 ZABOBIRZFHZMLC-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE Cn1cc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247837304 QAJPJNBAQZHOSP-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247908492 VIYYUWHVXGRJPI-WDEREUQCSA-N 414.189 1.566 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248062375 ZSESFFATNCNCNU-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)c1ncccc1B1OC(C)(C)C(C)(C)O1 2250107283 JKTAWBXVSYRTMG-UHFFFAOYSA-N 419.331 1.799 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1[C@H]2CSC[C@H]1CC(=NO)C2 2253347925 NLICPMQULPKVEL-CHWSQXEVSA-N 409.489 1.022 30 10 HDEE C=CCCC1([C@H](O)CS(=O)(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 2280954896 SQTBJJXSILGPDP-OAHLLOKOSA-N 404.529 1.213 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](CCN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314849 GFJPKBSAXWLROV-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCOCCOCC3)c2)OC1(C)C 2282335071 KIXRQEJCSTVTRB-UHFFFAOYSA-N 403.331 1.085 30 10 HDEE CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339103 SARVFBRLKZWLBG-CHWSQXEVSA-N 403.331 1.130 30 10 HDEE CCS(=O)(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282341160 OMHMBBHMNFKFED-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3C[C@@H]([C@H](F)CO)C3)c2)OC1(C)C 2282353890 ZBKSOTQORMTYSZ-KGYLQXTDSA-N 405.322 1.435 30 10 HDEE CN[C@H]1CCN(S(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282490343 HXSOZCVZGXJRDN-ZDUSSCGKSA-N 400.375 1.647 30 10 HDEE CC(C)NCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282490472 JWHOABOJRPICRC-UHFFFAOYSA-N 402.753 1.916 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3CNOC3)c(Cl)c2)OC1(C)C 2282494636 AKNUOQGKVVBHBC-JTQLQIEISA-N 423.127 1.474 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282502187 HNWQOFAIDKQSOL-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282541868 AIMZBOBURFKDRQ-RSNKEIGGSA-N 403.741 1.260 30 10 HDEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)C(=O)C1=CCS(=O)(=O)CC1 2282782634 COFYEZISGGSQAA-HNAYVOBHSA-N 401.525 1.945 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282868492 OAKCKQZRYBVLKZ-GXTWGEPZSA-N 401.359 1.377 30 10 HDEE COC[C@@H]1C[C@@H]1NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282875852 VGHCZWACALOWOO-STQMWFEESA-N 401.359 1.977 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@H]2CCC(=O)O)OC1(C)C 2284396984 ZYQJAEZGTVHIMS-NSHDSACASA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](F)C[C@H]3C(=O)O)s2)OC1(C)C 2284399304 IYIOYCKUXIFVGW-UWVGGRQHSA-N 405.278 1.233 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C 2365195320 APOKGCNOGRJXGC-XHSDSOJGSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365196925 RFAPDIGHSWOEAC-YHUYYLMFSA-N 401.525 1.588 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365201231 GRSKYSNYUYAJGR-PMPSAXMXSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CNC(=O)OC(C)(C)C)C1CC1 2365205342 AHGUHJWTTMCQAC-HNAYVOBHSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367784761 PXHQWPHSUQWSPX-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](O)C#CC1(S(C)(=O)=O)CCC1)C1CCOCC1 2367788452 PJXCWGCEJRKQMP-MRXNPFEDSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC 2367801533 TWUHCYIMGWPUAN-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2[N+](=O)[O-])n1)Nc1nncs1 59844035 QZRGSVAULRMACQ-LHHJGKSTSA-N 405.425 1.741 30 10 HDEE C[C@@H](/C(N)=N/O)N1CCN(C(=O)c2ccccc2I)CC1 109459431 JSPBJDQAACJDBH-JTQLQIEISA-N 402.236 1.184 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 254396908 HICATRTYXXTLFH-QWHCGFSZSA-N 400.453 1.288 30 10 HDEE C=CCN1C(=O)N(CCN2CCN(C(=O)C3CCC3)CC2)C(=O)[C@@H]1Cc1ccccc1 431338692 UQEBFLCWIAGUPZ-NRFANRHFSA-N 424.545 1.992 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N3CCn4c(O)nnc4C3)s2)cc1 446214427 DCFYLHJCSZLAMM-UHFFFAOYSA-N 414.476 2.047 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)CC1 446873132 ODICEWQRYYIKCB-OAHLLOKOSA-N 407.465 1.173 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)OC(C)(C)C)cc2)CC1 466335539 ZIWPPIOXSGMXAT-UHFFFAOYSA-N 416.522 1.771 30 10 HDEE CCC1(CC)CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC[S@]1=O 469892570 WLLGQZKYUUQEKL-RMKBEBRYSA-N 411.549 1.375 30 10 HDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@H](NS(=O)(=O)CCCC#N)C1=O 474390564 HGMIQIGVSJTJGH-IRXDYDNUSA-N 421.519 1.893 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@H]32)C1=O 476794036 ZOOJVIBIFJEBMM-ZNMIVQPWSA-N 419.478 1.465 30 10 HDEE CCOc1ccc(NC(=O)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 477618327 XERZTOHXYUSVAR-UHFFFAOYSA-N 416.459 1.625 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(S(=O)(=O)CCO)cc3)cc2C1=O 478221385 CFYAOMSJNCVURG-UHFFFAOYSA-N 414.439 1.487 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 485043973 UVQLIUOYBKLZKN-UHFFFAOYSA-N 419.482 1.267 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)Cc3ccccc3S(N)(=O)=O)cc2C1=O 486122555 KSDDPYZLJCCISS-UHFFFAOYSA-N 413.455 1.388 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 502496311 IBBPYPLGWHYDIO-LJQANCHMSA-N 406.483 1.619 30 10 HDEE CN(CC(=O)N1CCN(C(=O)CC#N)CC1)C(=O)c1ccc(Br)s1 503617550 XXKMAINUPCTVQO-UHFFFAOYSA-N 413.297 1.167 30 10 HDEE CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)cnn2C)c1=O 505633313 GLROJXNLXBGXAD-UHFFFAOYSA-N 408.483 1.366 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 508675967 HYYLCGFSZZRQFA-YTQUADARSA-N 409.490 1.754 30 10 HDEE Cc1ncsc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512491866 LLUXQUJTSRXNKS-UHFFFAOYSA-N 405.505 1.539 30 10 HDEE CC(C)CS(=O)(=O)CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 522209373 BZRJEOWHRGJASQ-MRXNPFEDSA-N 409.533 1.859 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NS(C)(=O)=O)C2)n(C2CCCC2)c1C 532576440 QMOKUJOGWZFVKO-HNNXBMFYSA-N 407.540 1.654 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(-n2ccnn2)cc1 535176906 ZULHFNVJMZDMQO-OAHLLOKOSA-N 424.486 1.950 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2CC(N)=O)CC1 538351092 XBWPDCPPWBPETN-RBUKOAKNSA-N 401.486 1.264 30 10 HDEE CN1CCN([C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ccccc2)CC1 546169609 COUVXTFSXBMTCW-QFIPXVFZSA-N 404.518 1.591 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@@H]3c3ccccc3)CC2)o1 562048010 WORXXCUERYUKHP-GHTZIAJQSA-N 408.506 1.538 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@](C)(C#N)CC 563771512 VHRLHIZBLXLSTJ-LJQANCHMSA-N 408.524 1.443 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)cc1C#N 577044032 BYLRVFFSOGOJTM-GFCCVEGCSA-N 420.516 1.868 30 10 HDEE N#C[C@]1(F)CCN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)C1 589461371 KSRSDBRFRKODJU-YGRGBYHCSA-N 419.456 1.930 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)[C@H](C)CC)c2)CC1 604177634 ZTQYSDXVFSVAIX-QGZVFWFLSA-N 415.538 1.801 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 610807661 JRTXWGFHMANPAS-CQSZACIVSA-N 415.471 1.969 30 10 HDEE C[C@H](C#N)CN(C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C1CC1 611086808 YGPZDZAESXJEHH-CQSZACIVSA-N 417.535 1.907 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 670207648 XMNUHXQZFUFROG-OAHLLOKOSA-N 415.560 1.438 30 10 HDEE C#CCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 731212868 NQHVZRUGGIHRFY-CQSZACIVSA-N 404.410 1.324 30 10 HDEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155776 FTXMWXUQLFABFK-JFLJVCDGSA-N 420.466 1.529 30 10 HDEE N#C[C@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1C1CC1 732664295 MVRROMNUHPNFSO-IBGZPJMESA-N 412.515 1.707 30 10 HDEE Cc1nc(CN2CCC(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)oc1C 732676496 CXODUDFWJHNCEH-IBGZPJMESA-N 400.527 1.885 30 10 HDEE C=C(COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OCC 734024989 VZVYSJBKOPKSNO-UHFFFAOYSA-N 406.460 1.510 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 754379427 LNVKWCYCDTVFNI-KRWDZBQOSA-N 416.526 1.604 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758641752 CAJVNKZHULUVRD-HIFRSBDPSA-N 408.480 1.084 30 10 HDEE CC(=NNC(=S)NCCN1CCOCC1)c1ccc(-n2cncn2)cc1Cl 764658862 KGYQCJBSHOAYGG-UHFFFAOYSA-N 407.931 1.441 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 765960270 ZYYYBORDOTZUPL-KSZLIROESA-N 410.478 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 766235337 YYMSXGHRPCRESW-OAHLLOKOSA-N 409.464 1.140 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 766770065 VDNZWJKOENAJLX-DOTOQJQBSA-N 417.462 1.979 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CNC(=O)c1cccnc1 767611008 DKIBEYOYKWVUNX-OAHLLOKOSA-N 410.430 1.699 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCF)C1=O 767740960 XXFROTUTBFCQRF-HNNXBMFYSA-N 423.514 1.145 30 10 HDEE CN(C(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(C)(C)C#N 782417512 HUEBRRKQZBEANK-UHFFFAOYSA-N 405.455 1.620 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)n1 788645503 IONGWXSFFXTGRO-UHFFFAOYSA-N 418.519 1.784 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)[C@H](C#N)c1nc(C)cs1)S2(=O)=O 790025614 COFGSSAMFSZNKB-LBPRGKRZSA-N 421.456 1.490 30 10 HDEE N#Cc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)cc1F 791319276 YMBUGJRNXSBUIF-UHFFFAOYSA-N 417.418 1.175 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 794910119 DVIMWTXCEGXQLC-ROUUACIJSA-N 407.401 1.547 30 10 HDEE C=CCOC[C@H](NC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(=O)OC 796457206 YOKAIFSPLXLSPV-UYTSQGDYSA-N 424.494 1.309 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 813753549 GKUCTWABYJNHGN-ROUUACIJSA-N 413.478 1.363 30 10 HDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)[C@H](C)CC#N)c1OC 1135178847 BGSFMDUHBDNJNE-CYBMUJFWSA-N 411.480 1.099 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCC1CCC1 1136634069 OFUBZYGVMJDJOL-AWEZNQCLSA-N 423.963 1.858 30 10 HDEE C=C[C@@H](COC)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1138582423 CPAGVTFFMMESTC-ROUUACIJSA-N 424.563 1.834 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1139490442 TURATKFYPNELPG-JLTOFOAXSA-N 414.499 1.387 30 10 HDEE Cn1nc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(F)(F)F 1157066254 CMQQCIUHZLKOHC-UHFFFAOYSA-N 401.370 1.506 30 10 HDEE COC(CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)(OC)c1ccccc1 1168843974 UHMBQFBSQHGFBD-UHFFFAOYSA-N 417.487 1.673 30 10 HDEE C=CC1(CC(=O)N2CCO[C@H](CN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1169004653 ZYIQWWZTGHMRBK-QGZVFWFLSA-N 409.527 1.359 30 10 HDEE CC(C)(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1ccc(C#N)cc1 1179847323 WFWLZVNAIUXMJU-FXUPRZHBSA-N 403.504 1.163 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1190264157 IACHLGRKTBPQJK-ZDUSSCGKSA-N 406.298 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccnc(F)c3)CC2)[C@H](C#N)C1 1225935865 BJBLAWPYMITRNJ-GDBMZVCRSA-N 418.473 1.811 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1227206692 HROZSBWLRMBCFD-UXHICEINSA-N 400.523 1.612 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(-n2cccn2)c(F)c1 1228849000 PGAHVOLTNMVECY-WTANOLMUSA-N 417.466 1.652 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(CC)CC1 1286380334 HSYVLLGZQGRBEF-OALUTQOASA-N 404.559 1.099 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCOC2)CC1 1286492221 DVYPFPDPOBMPTA-FUHWJXTLSA-N 401.511 1.174 30 10 HDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)NC)CC1 1286624338 BGINDHOWOYVHNK-UHFFFAOYSA-N 404.858 1.888 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1286782268 POAKIOXNXUUKNR-UHFFFAOYSA-N 421.461 1.198 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1c(C)nn(C)c1C 1286789744 WCEODPOXKIGHTD-UHFFFAOYSA-N 408.510 1.553 30 10 HDEE CC[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291488994 WNNFPTHHECBHTP-LAVFMPCWSA-N 415.498 1.020 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1298254000 DENNTVQJJSQHIY-ODHUPUGDSA-N 414.388 1.655 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1298425640 KGRREMDUIJZLRE-HNNXBMFYSA-N 411.386 1.486 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1298660485 NDOWFBWJYNNODD-IEBWSBKVSA-N 420.391 1.413 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1300281836 DMYNTPCELBHIIH-YWZLYKJASA-N 418.519 1.612 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300340345 XPBRTPMXEFIFHI-OAHLLOKOSA-N 409.450 1.370 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300449243 GEISENVGYITOIR-LJQANCHMSA-N 424.549 1.966 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OC)c(OC)c1OC 1300529777 QYFBSXNWFZKBNW-UHFFFAOYSA-N 420.473 1.826 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1300600863 BDFCEDMWAGZYCK-GFCCVEGCSA-N 407.525 1.105 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1300801611 SWVSPXBOEOIYER-DNVCBOLYSA-N 415.523 1.151 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1)OC 1301011125 ASZLWSZVQHOQDA-SGTLLEGYSA-N 406.418 1.109 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301499065 WSENMCIRPWAEIK-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(C)(C)O)C1 1301545961 OHZPOWAZZBYICM-GOSISDBHSA-N 424.509 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(C)C)CC1 1301578473 BSSVYJWZVPOYOR-UHFFFAOYSA-N 406.556 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1301584931 GHLXEKVMYQKQII-UHFFFAOYSA-N 421.567 1.595 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cs1 1304675163 DWQSOZCPFTYCKT-PGGUUEOZSA-N 406.537 1.274 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1304903142 NFGCAAVSFPFDAD-JCGIZDLHSA-N 410.478 1.024 30 10 HDEE N#Cc1cn(CC(=O)NCCNC(c2ccccc2)c2ccccc2)c(=O)nc1O 1306903128 BFOMQUSJXOFKKR-UHFFFAOYSA-N 403.442 1.316 30 10 HDEE CS(=O)(=O)c1nnc(CN2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)s1 1307735030 BGFZCBVCCHUFRH-CQSZACIVSA-N 411.940 1.977 30 10 HDEE CC(C)C[C@@H](C(N)=O)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1308025269 AJJCKYMDGAHBOY-RBUKOAKNSA-N 403.502 1.366 30 10 HDEE COC(=O)[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1312872361 MFXCQHGJOQTPHA-XBXGTLAGSA-N 414.441 1.649 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1316236295 AMYLKQBZHILROQ-GOSISDBHSA-N 422.493 1.728 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)C 1316285955 XRMVZTVNYFZLNT-YZVOILCLSA-N 408.478 1.216 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1c(C)coc1C 1316297884 QSMBGXGJBWLLAJ-JZXOWHBKSA-N 401.467 1.989 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1352653167 YOSVWADCPLZWNI-LJQANCHMSA-N 421.519 1.193 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOCC1(C)C 1358951416 WBJPKZFLCCCLAP-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(C)(=O)=O 1359017172 VXLKLBBSBOCXGG-QGZVFWFLSA-N 420.510 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC(C)(C)C2)CC1 1359034536 UPRCOMURPHBNSL-UHFFFAOYSA-N 423.565 1.515 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359054589 AIWRTPKZMWSEGS-UZLBHIALSA-N 414.535 1.876 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1359055031 QHRBRPDTVSVSJL-UHFFFAOYSA-N 418.523 1.335 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(=O)NC1CCCCC1 1359062809 UGDRTTBIQWHCKN-OAQYLSRUSA-N 400.527 1.857 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359123962 ZQEARRHOXXUKEH-STQMWFEESA-N 403.464 1.960 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359136397 HYNQOSGTRILAEN-FTRWYGJKSA-N 422.482 1.637 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359161102 PPVCTUQQWPHUFU-FQEVSTJZSA-N 418.519 1.660 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359228399 BPBOTUKHVVWWJK-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359297274 KYYCSIFKYKWGPU-LJQANCHMSA-N 421.505 1.867 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1360486545 FQPJGWCGQYHBIJ-ITZAQCPESA-N 423.477 1.172 30 10 HDEE COC(=O)c1cccn(CC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)c1=O 1361016011 FQQOFMCQTYSQHJ-UHFFFAOYSA-N 405.414 1.948 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1436233437 HMBMZRZXCPPLEE-UHFFFAOYSA-N 413.883 1.509 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1438146189 GDIGFBWWHXCASD-OAHLLOKOSA-N 414.474 1.910 30 10 HDEE Cn1cc([C@@]2(CNC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CCCO2)cn1 1439901609 KCLZZUMPGVLSKI-FQEVSTJZSA-N 416.503 1.933 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1446141059 QBVSFHXXSIBVQO-HUUCEWRRSA-N 418.498 1.315 30 10 HDEE COCCN1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1448281631 ALRXRCDTZWAEDK-CHWWFWEZSA-N 406.483 1.048 30 10 HDEE COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1452248612 PDBJALXUOKFUML-QHCPKHFHSA-N 419.437 1.982 30 10 HDEE C[C@H](C(=O)N(C)C[C@H](O)c1cccc(C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1452948608 YESYDXUQSIZZCS-QGTPRVQTSA-N 405.495 1.914 30 10 HDEE C#CCOCCN(C)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1457394373 QQHOUGSWNFTHCA-JOCHJYFZSA-N 419.481 1.608 30 10 HDEE CCOC(=O)[C@@H]1c2ccoc2CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1457936453 VYWFTYDDCGKBIJ-SFHVURJKSA-N 417.443 1.119 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462721618 MBUBPJJTGOZMOZ-UNEWFSDZSA-N 419.865 1.791 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1463791703 ARGUTPQSVQTTNZ-WMZOPIPTSA-N 408.499 1.206 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H]4CCCCN43)CC2)cc1 1464031843 JLUMALVBUFJMOQ-PKOBYXMFSA-N 402.520 1.408 30 10 HDEE C#C[C@H](NC(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1)C1CCOCC1 1468717287 UTRODIAFCFULOR-RTWAWAEBSA-N 412.534 1.612 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)CC1 1469289641 IARMAANQFNNRLV-LJQANCHMSA-N 400.523 1.675 30 10 HDEE COC(=O)C[C@H](CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1470119116 FQKDCMSCUQMEHD-TZMCWYRMSA-N 407.492 1.209 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3cnn(C)c3CC(C)(C)C2)c1 1470598938 NWWCBJZWOJZTDE-UHFFFAOYSA-N 400.504 1.556 30 10 HDEE N#Cc1ccc(CSCC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472221174 QCAHZTAMGPYIFQ-KOHRHEQBSA-N 421.544 1.119 30 10 HDEE C[C@H]1[C@@H](CO)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1473541621 GATGVLCSVWDJSE-JKSUJKDBSA-N 413.478 1.548 30 10 HDEE CCCc1c(NC(=O)N2CC(NS(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 1476433299 HYNLIFFZHXREHI-UHFFFAOYSA-N 402.480 1.462 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCOc1ccc(I)cc1 1478512996 KALCSWRFCNBANS-CYBMUJFWSA-N 400.216 1.714 30 10 HDEE N#C[C@]12CN(C(=O)NCc3cc(F)ccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1479045069 KGBJXDXSTBIZNN-MEDUHNTESA-N 403.382 1.507 30 10 HDEE Cc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1492478194 FFVJUXUNRNXFLI-GOSISDBHSA-N 420.477 1.146 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1507531283 CIFUWSMBGZVCEX-OAHLLOKOSA-N 420.525 1.579 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1507626105 MVVZFYAWSCHMHZ-IAGOWNOFSA-N 402.524 1.296 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2Cl)CC1 1507716909 WDGGKWWXAKSCIK-UHFFFAOYSA-N 400.914 1.873 30 10 HDEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1507866347 CCJZRIYVOAHICI-UHFFFAOYSA-N 401.906 1.993 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@H](COC)C1 1507957884 XFFIHRVBLOXWGW-IRXDYDNUSA-N 407.515 1.347 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(C)nn(C)c1C 1508036383 NQYJXZCUWJHWBX-UHFFFAOYSA-N 424.509 1.963 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1508129147 ADZZDBYUNBQNRN-CQSZACIVSA-N 410.500 1.272 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCc1ccc(O)cc1 1510147206 AJMGDMYYKRMXGX-ZIAGYGMSSA-N 406.512 1.575 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)n1 1511136412 AAOYGOBOTHVWNU-INIZCTEOSA-N 418.523 1.592 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1512577541 BQSUVGFXGBNATF-KKSFZXQISA-N 413.478 1.495 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1512715555 PGZBNCMNJXKTIL-MNVSYLFESA-N 416.482 1.532 30 10 HDEE CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1515418210 BDHIEKMUOHMMHJ-KIJUOZEOSA-N 402.499 1.933 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCS(=O)(=O)CC2CC2)cn1 1517368979 DNAFXWQXQMJWQV-LJQANCHMSA-N 417.539 1.633 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2[C@@H]2C[C@H]2CF)c1 1519515275 YFHJNGQIDLPKGI-SQWLQELKSA-N 405.455 1.608 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1521114776 KYOYHHRTNOGTPF-GOSISDBHSA-N 424.505 1.824 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(CC#N)c1ccccn1 1530819882 GLJVKXBKFXTSPF-UHFFFAOYSA-N 400.460 1.581 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccccc3C#N)CC2)n1 1536525551 XNXJACFEDCSYCX-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCO[C@@H](c3ccc(C#N)cc3)C1)C2=O 1538556629 UWEUOQZCUZCOCW-YBOAYWMSSA-N 410.474 1.959 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1539201656 BLGWTSIMAMDIGH-CQSZACIVSA-N 404.483 1.700 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)CN1CCCC1 1539331196 JCONGFZDAWJRFH-UHFFFAOYSA-N 410.566 1.985 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccsc1 1539415799 HBQLLACUXFEEME-INIZCTEOSA-N 408.549 1.570 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@@H](C)CC 1539416871 UGIGULCPIBEJQA-FRQCXROJSA-N 412.556 1.063 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(CS(C)(=O)=O)CC2)CC1 1539438067 MIKUKQABFQTLNX-UHFFFAOYSA-N 417.535 1.427 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1539512321 BQRVGCXNOZBASM-QGZVFWFLSA-N 406.577 1.929 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1539530561 IORBHWYEHZOCBQ-RZQQEMMASA-N 419.551 1.011 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539710529 SUSMMZUOTBLRMV-SFHVURJKSA-N 409.494 1.607 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)CC1 1539871039 HDAIRZXMZRTUSZ-UHFFFAOYSA-N 400.483 1.727 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1540194457 PDODEZQHQJEIOX-UHFFFAOYSA-N 410.478 1.314 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 1540470875 HRLLCCYSRLWBHI-QFIPXVFZSA-N 407.518 1.843 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(C(=O)NC3CC3)c2)c1 1541058618 XACMMFMSSDINRO-UHFFFAOYSA-N 415.446 1.945 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3coc(C#N)c3)CC2)cc1 1542962553 SCFSTVSJKRCLCG-UHFFFAOYSA-N 402.476 1.196 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccnc(-n4cncn4)c3)CC2=O)cc1Cl 1544263672 OGPOJEKRTOBVHM-HNNXBMFYSA-N 421.848 1.857 30 10 HDEE COc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C)C2=O)cc1 1554969177 QPYAHQQKOYHPNV-BTYIYWSLSA-N 412.494 1.940 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCOCC2CCOCC2)CCO1 1555993738 RAIOFSSTTVZZEF-KRWDZBQOSA-N 413.482 1.297 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1557386709 LLTQWAPJXDMRJU-AWEZNQCLSA-N 405.476 1.029 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1=O 1583137589 MCELPNJASVKEJZ-CQSZACIVSA-N 424.461 1.658 30 10 HDEE Cc1cc(O)nc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1583388103 MKXGSBWCAXGBDX-LQZXRHCMSA-N 401.467 1.894 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(C)CN(C)C1=O 1588093147 CTMQUZFTTROGFP-QHCPKHFHSA-N 413.485 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)CC 1589163578 KVVZDDDVGBMREN-MOPGFXCFSA-N 410.540 1.357 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1594733378 SDRZGNCNXIEBQU-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1594937220 UCWGWBOUVMFRDR-LJQANCHMSA-N 403.556 1.509 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(F)(F)F)nn2C)cc1 1595112409 ZCPYTFPBJJNANI-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1595219145 QLTOPKHHDOPLCC-QGZVFWFLSA-N 409.556 1.081 30 10 HDEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)COc1cccc(Br)c1C#N 1596580092 GMABBVHTZANQAQ-PIGZYNQJSA-N 411.252 1.879 30 10 HDEE N#Cc1ccc(OCC(=O)NC2CCN([C@H]3CCOC3=O)CC2)cc1Br 1597146887 CPQDXDCGOIAGSZ-INIZCTEOSA-N 422.279 1.596 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611165055 KUILYOAYRWOQIL-HICWGWBUSA-N 418.441 1.563 30 10 HDEE COc1ccc(C(=O)NCc2nc(C#N)cs2)cc1S(=O)(=O)N1CCCC1 1611470341 XENQBGOPMAYJIU-UHFFFAOYSA-N 406.489 1.738 30 10 HDEE C#Cc1cncc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c1 1611545794 GSTMFQAYPVJLGB-INIZCTEOSA-N 407.492 1.217 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1=O 1618458955 PLJUPPPDCCJOQM-ORAYPTAESA-N 400.870 1.806 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCSC)CCO1 1618694788 XXHYOTAQXHVAFI-KRWDZBQOSA-N 414.535 1.911 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1620052131 DVVLBZLNXLILPO-XMSQKQJNSA-N 424.505 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ncnn1C(C)(C)C 1620085276 YOFWSGOZWITSEV-VYDXJSESSA-N 416.530 1.993 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCO)CC1 1620351767 HXKPRXWESMGVFF-SFHVURJKSA-N 423.521 1.590 30 10 HDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)[nH]c1C 1623597191 AJXTWYWXZFSANU-UHFFFAOYSA-N 417.491 1.900 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)[C@@H](C)C3)n[nH]2)c1C 1624133343 OFFMJDZIIMTDIT-LBPRGKRZSA-N 406.512 1.182 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 1625197075 LSZLJFOKZVRAFF-KGLIPLIRSA-N 409.284 1.536 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)s1 1627747362 VMQSNFPCXFDKAO-GFCCVEGCSA-N 411.509 1.041 30 10 HDEE N#CC1(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CCSCC1 1630711258 JEBFVXFGHXHKSB-OAHLLOKOSA-N 409.533 1.663 30 10 HDEE C[C@]12CN(C(=O)COc3cccc(Br)c3C#N)C[C@]1(C)C(=O)NC2=O 1631838911 ZVKPWBINFXUMII-IAGOWNOFSA-N 406.236 1.211 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1 1632642271 CKXGPJJXWDUDPH-FQEVSTJZSA-N 413.518 1.831 30 10 HDEE C#CCN(C(=O)c1cn(CC2(C)COC2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818734 ULFSHTCWUADXMH-UHFFFAOYSA-N 417.510 1.790 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(N)c1 1636270364 DYIPQIUOSZKQIU-ZDUSSCGKSA-N 414.491 1.075 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2nc(COC)no2)CC1 1638768819 MVZLCKUWJYXBSQ-HNNXBMFYSA-N 421.498 1.167 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@H](C)CC[C@@H](C(N)=O)[C@H]3C)ccc2c1=O 1639209789 QQFOYPJUVYQKJU-YRGRVCCFSA-N 400.504 1.986 30 10 HDEE C[C@H](CC(=O)Nc1ccc(COCCO)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1639597999 VLUPXUNHBCXLKN-CQSZACIVSA-N 417.487 1.651 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639822278 ZHIRLXFAZGUMMT-DMUBAUNHSA-N 423.535 1.323 30 10 HDEE C=CCC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1640864130 PRFOWIOIPCZEFR-IRXDYDNUSA-N 412.446 1.777 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1640907296 AGJIFRCXEXLZEL-UHFFFAOYSA-N 404.517 1.607 30 10 HDEE N#CCSCC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1641462578 ZPPPKYUUYAHSQS-UHFFFAOYSA-N 401.536 1.325 30 10 HDEE CC[C@@H]1[C@@H](CO)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641669126 ZTIDCIAFCZWSOT-IEBWSBKVSA-N 405.520 1.578 30 10 HDEE CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1n[nH]cc1C#N 1643356441 CIYIRWQZJDFOCZ-WKTRQSJXSA-N 405.505 1.932 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N2CCC2)C1 1646076515 CNFZRNXZNMYHQW-WBVHZDCISA-N 404.536 1.591 30 10 HDEE C[C@]1(C#N)CN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCO1 1652916921 SOMFGJKGETUDSY-AWEZNQCLSA-N 407.370 1.005 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)c1 1664551457 SSHJVZMKEJNXIJ-OAHLLOKOSA-N 424.519 1.629 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(OC)ccc3ccccc23)CC1 1666142495 PVLYBMVOWIWADT-UHFFFAOYSA-N 416.503 1.143 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3nc(C(=O)OCC)cs3)CC2)cc1 1666170783 CWTPBQORNWBYLK-UHFFFAOYSA-N 405.501 1.812 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)C1 1676035764 WNWYHMVVYKVQJQ-KRWDZBQOSA-N 420.554 1.894 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1677815058 QVQMVIDXFHKCLT-QZTJIDSGSA-N 413.518 1.996 30 10 HDEE C=CCN(C(=O)Nc1ccc(OC)c(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 1678451771 SIKPWKZHLSXOIT-CYBMUJFWSA-N 402.494 1.306 30 10 HDEE C#C[C@H](NC(=O)N[C@H](CO)c1ccccc1I)[C@H]1CCCO1 1681816688 XGDMKMWRMZRDRJ-RRFJBIMHSA-N 414.243 1.805 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1683130524 LMSFQOSBLUJVQC-KRWDZBQOSA-N 413.478 1.611 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1689948259 UKRAWGDVWUTXHD-JOCHJYFZSA-N 411.506 1.798 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1689966665 YFANNTCTUXDPAF-INIZCTEOSA-N 409.556 1.507 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCCC)CC1 1690117371 FHISOYXNFAGUDJ-UHFFFAOYSA-N 401.902 1.275 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690451841 RBFPSAWENCBEBN-NVXWUHKLSA-N 421.571 1.421 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1690664593 YTJYYAJZVDVCPA-QFIPXVFZSA-N 410.522 1.772 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)C1CCN(CCC)CC1 1690673411 VOTINZGHKMPKFO-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O)N1CCOCC1 1692695359 BMWVREUNYHACGJ-HZPDHXFCSA-N 411.510 1.238 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(=O)NC 1694212520 CNVKBFRRHUWVSU-HNNXBMFYSA-N 411.510 1.694 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1694737350 AZJRANQAAHILPX-OAHLLOKOSA-N 403.437 1.858 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)NC(C)C)cc1 1697338178 BHRLLNDVKVWEFB-HNNXBMFYSA-N 420.539 1.877 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1698223340 NISCFDGHLPMBSM-APWZRJJASA-N 415.494 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1705491127 YQOFWCANTSGXDO-HOTGVXAUSA-N 415.494 1.907 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705540206 QEFXVAOGGPBMAJ-AOIWGVFYSA-N 415.538 1.911 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1705560160 DWPIGLSRAGFHTE-VQIMIIECSA-N 408.524 1.131 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1nc(C)cs1 1705627226 ZXNVHSRSMFUXNJ-UHFFFAOYSA-N 414.491 1.905 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1705638055 WKSFZYPEHZTHFQ-IBGZPJMESA-N 407.522 1.354 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705658588 UGYRULWSVYAUSJ-INIZCTEOSA-N 417.539 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCO[C@@H]1C 1705666465 ABKSACWLDPOKQC-IPHXSNPTSA-N 403.527 1.729 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1705747222 IEMMYULEFSSVCX-LBPRGKRZSA-N 418.951 1.088 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CC(F)(F)F)CC1 1705907410 LWGLHCKOAJRPMP-UHFFFAOYSA-N 414.476 1.997 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3OCCC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705907976 DIAMSGZYTOYHNM-LLGFUMIMSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)S[C@H](C)C1 1705909344 ULVUCRRULXXVFO-IVSAIRAKSA-N 409.556 1.635 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C)COC2)C[C@H]1O 1711460002 PXTXJRCVJHBEQR-IAGOWNOFSA-N 411.462 1.213 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@H]4CCC(=O)N[C@H]4C3)n2CCOCC(F)F)cc1 1712878504 GFZGKGDOSGSSPN-CVEARBPZSA-N 416.432 1.813 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1722353502 PHIIYWMVELKKTB-RHSMWYFYSA-N 408.462 1.715 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CC1CCN(C(=O)OC)CC1 1722425190 PZTBIRITRALJDO-UHFFFAOYSA-N 400.483 1.838 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccccc2F)CC1 1722436368 FAIRDBZFJIRGPE-LJQANCHMSA-N 410.497 1.756 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](OC)C(C)C 1722446642 GTQRPCTZNPVQOA-QGZVFWFLSA-N 403.483 1.763 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1722535230 BVQKDUZUEHUPBT-AWEZNQCLSA-N 418.523 1.174 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1722615462 QTEQKUZHLAMAHK-FGTMMUONSA-N 402.543 1.742 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1722700025 SWSSXKCOBHRWTM-UHFFFAOYSA-N 414.485 1.634 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1722732194 IFGJWEHWLZYYJC-ZIAGYGMSSA-N 417.601 1.669 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccnc(-n2cccn2)c1 1722865006 CLLGBDZPDOSZEE-OAHLLOKOSA-N 400.450 1.960 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C3CC3)C2)n1Cc1ccc(C#N)o1 1723932088 OMJUPOZDOAEQSU-TZMCWYRMSA-N 404.496 1.638 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCCC1=O 1727608409 XMHNXVFCZRGXIO-UHFFFAOYSA-N 422.537 1.836 30 10 HDEE CCc1nnc(N2CCOC3(CCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727627714 HYWQRYMAAHQGFK-ISLYRVAYSA-N 400.483 1.516 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740590922 KRKBEELXJMRGDX-QAPCUYQASA-N 416.503 1.827 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1740617612 UKRKZSBRCGTGSI-AWEZNQCLSA-N 402.505 1.266 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740628924 WNSNVQONUIXDRM-GVDBMIGSSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCS(C)(=O)=O 1740642571 YAHMAJNPKNNJHC-UHFFFAOYSA-N 400.504 1.591 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1740669931 KSSDWSVUJNKRDU-FLPIEVNYSA-N 417.554 1.511 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC[C@@H]2COCCO2)CC1 1740704108 HSBHUQYHGSGNDD-QGZVFWFLSA-N 412.494 1.045 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740888453 NQOUHQSJGYWLEH-KDURUIRLSA-N 411.462 1.883 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740889642 GFPSFXGDWBKXKF-QGZVFWFLSA-N 400.483 1.379 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1740981216 VHFPOPBHYUSMRW-HOCLYGCPSA-N 416.457 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740985629 KEGSSVRAOZELOV-UONOGXRCSA-N 406.574 1.260 30 10 HDEE CC(C)(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741238858 XMYWPMHTIGKFQQ-QGZVFWFLSA-N 415.542 1.506 30 10 HDEE CO[C@H](C)Cn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748393570 CEOGPTDBRUVLGG-HGHGUNKESA-N 418.542 1.530 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1748681495 DJNUGIFLHPQVEH-OALUTQOASA-N 421.549 1.943 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1748815276 OBXNFSURTQJENK-KLHDSHLOSA-N 405.524 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1oc(CC)nc1C 1748824617 FJUIDRXJLDQNCO-UHFFFAOYSA-N 403.446 1.905 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1748984780 QUSAETKBXYUMRR-HTAPYJJXSA-N 406.490 1.112 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCn2cncn2)CC1 1748999071 HMVXAFAAXRPWKB-UHFFFAOYSA-N 410.457 1.043 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[C@H]2C)CC1 1749001342 QFOTYJHJBCQAQX-NVXWUHKLSA-N 421.505 1.547 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1749459531 MIPUGEBABUYBAV-LJQANCHMSA-N 413.522 1.721 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750994978 FDUCNXXIWSUOBO-QGZVFWFLSA-N 413.551 1.632 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1751095402 CGMNUFHUOFWQNJ-IRXDYDNUSA-N 408.572 1.795 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760136472 WLHYTLPQNGWGMM-UHFFFAOYSA-N 404.540 1.937 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760187395 CXMYIEVMNFTFCA-FTRWYGJKSA-N 419.551 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@H](N1CCOCC1)C(F)(F)F 1760201255 NCAPEZVTPACOQK-INIZCTEOSA-N 406.412 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCOC[C@H]2C)CC1 1760265018 LBHGRFWXDFQUNG-ZRNYENFQSA-N 417.554 1.430 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C)n1 1760288416 BQRWSJCJHDGBBY-FZKQIMNGSA-N 422.580 1.888 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1760294513 ZDTRTIGOTHCXPU-YZVOILCLSA-N 405.524 1.189 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1760344939 URTIBHGEUPINFF-UHFFFAOYSA-N 407.482 1.827 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760357511 KKMZDIKCXMHIHE-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1760450666 PKYZQQYXVRCGGR-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(CC(N)=O)CC1 1760517227 GZJQDWSXMQVWIG-UHFFFAOYSA-N 412.494 1.348 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1760540643 MPHLTUDVQXTJLE-HTAPYJJXSA-N 413.522 1.802 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760559162 JUBJXNJJOWKFFB-MRXNPFEDSA-N 420.583 1.927 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1767894327 BZNVKKFONTZLDU-UHFFFAOYSA-N 422.489 1.732 30 10 HDEE CN(C)S(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1768527888 LPEJZLQXLKONSB-UHFFFAOYSA-N 416.507 1.386 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1)[C@H]1CCOC1 1768546280 ZVJJKRRUJGLUEC-KRWDZBQOSA-N 410.478 1.324 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1768812433 WLSVTXLXQQRMHM-BSBNDGSWSA-N 422.489 1.944 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)N3CCCc4nc(C#N)ccc43)cc2)CC1 1849458549 MUGVRLQPFSTLJM-UHFFFAOYSA-N 417.469 1.851 30 10 HDEE C=CCN(C(=O)c1ccccc1C(=O)N1CCN(C(C)C)CC1)[C@@H]1CCN(C)C1=O 1849837252 LIADPNFZAHVTLS-HXUWFJFHSA-N 412.534 1.712 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)ccc21 1850215806 PAMGPOPZXPWIHD-MRXNPFEDSA-N 421.519 1.987 30 10 HDEE Cn1nccc1[C@@H]1C[C@H]1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851635134 MKHHMIHZZBVKKU-CHWSQXEVSA-N 420.926 1.871 30 10 HDEE CC(=O)N1CCN(CC(=O)Nc2c(F)cc(C#N)c(F)c2Br)CC1 1851882387 YKGHRROUWWGURV-UHFFFAOYSA-N 401.211 1.702 30 10 HDEE CN1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)c2C#N)C1 1852530533 RZUGORAZSYFBCL-HOTGVXAUSA-N 414.531 1.987 30 10 HDEE COCCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C1(C)CCN(C)CC1 1853583240 SPKUCVXQEVRMBF-UHFFFAOYSA-N 424.523 1.168 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C[C@@H]4CCCO4)C3=O)CC2)CC1 1853733332 VCSGBLQDBAHFIC-OALUTQOASA-N 416.522 1.157 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1853789117 ADXQWTMWMHONBG-LPHOPBHVSA-N 412.465 1.932 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)cc1 1853851089 FNRHFFSRJMCMEJ-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853948889 USOJFGXWQHAJNJ-QGZVFWFLSA-N 418.519 1.181 30 10 HDEE CN1CC[C@@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C23CCCC3)C1=O 1854017880 GYFFPDRGUFWBLN-LJQANCHMSA-N 408.502 1.705 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc3c2-c2ccccc2C3)CCN1S(=O)(=O)CC#N 1854693691 GSRDKJGEYDXGNS-CQSZACIVSA-N 409.467 1.784 30 10 HDEE COc1ccc(CC(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1C 1854998080 MEKINADDPUDNKT-AZUAARDMSA-N 412.534 1.984 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1855204565 HHRNHSCLWJMNTA-MOPGFXCFSA-N 417.550 1.821 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1855507329 KFNFCLLEJVSCFO-KRWDZBQOSA-N 409.483 1.226 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)C3CC(=O)C3)C2=O)CC1 1855520558 CMGBQAGPZBWJSB-LJQANCHMSA-N 410.474 1.541 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1855587483 KSUWDKPYQNAIGI-OAHLLOKOSA-N 403.914 1.983 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3ccccc23)CCN1CCOc1ccc(C#N)cc1 1855924099 RJUAKAVALAJSEB-INIZCTEOSA-N 403.442 1.958 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC(Cn4nccn4)CC3)CC2=O)cc1C#N 1856170954 XLZWGJLVKPEFSE-GOSISDBHSA-N 406.490 1.859 30 10 HDEE Cn1nccc1C(=O)N1C[C@H](CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1=O 1856623843 FNWLISATXFQZCW-KRWDZBQOSA-N 407.474 1.824 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(OC)nc2)C1)[C@H]1CCN(C)C1=O 1857055560 GBZOYOXQAQKICQ-WBVHZDCISA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3c(c2)OCO3)C1)[C@@H]1CCN(C)C1=O 1857055622 GTLGBEITZOZQPF-NVXWUHKLSA-N 413.474 1.513 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(OC)ccn2)C1)[C@@H]1CCN(C)C1=O 1857080018 JDYPBVYLOPSXLQ-MAUKXSAKSA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@H]1CCN(C)C1=O 1857284385 NTGFQDQROFBMIE-WMZOPIPTSA-N 401.511 1.480 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868796034 PWHJLUGZYLWKKH-ZWKOTPCHSA-N 417.579 1.694 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1870098371 AWRVUPSHYLLYTD-UHFFFAOYSA-N 415.431 1.966 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)CC1=O 1874338689 VJYBVGMAPISHMO-GNZXAGPDSA-N 402.480 1.168 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)CC1 1891176397 KAKLUGSUTWEFBN-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE C[C@@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)O 1892297241 OBGFNVYAQHEDNK-SNPRPXQTSA-N 412.508 1.984 30 10 HDEE C=CCn1ncc(NC[C@H](CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2011519542 JYTGISZAUYPOCE-SNVBAGLBSA-N 403.277 1.489 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)CCC1 2054408888 WQNWGLAVHPHWPH-DLBZAZTESA-N 407.492 1.684 30 10 HDEE C#CCC[C@@H](NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811257 XZKSLGNGNKOIRK-FVJLSDCUSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)N3CCC[C@H](C#N)C3)C2)C1 2182736672 XPQYHDZMMFWFKP-CYBMUJFWSA-N 418.541 1.185 30 10 HDEE N#Cc1ccc(Br)cc1OC[C@@](N)(C(N)=O)C1(Br)CC1 2206636198 SAZJUHSUUGNXOE-CYBMUJFWSA-N 403.074 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243685531 WLMZPUOOODMPIE-GJZGRUSLSA-N 408.304 1.667 30 10 HDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247824494 YADCECWIAUREEG-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247837780 XSUIOXSKQBIWDJ-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC3COC3)c(Cl)c2)OC1(C)C 2267470607 NBNJMJYGCKFWPY-UHFFFAOYSA-N 408.112 1.970 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)CC1(C#N)CCCCC1 2281145288 WFRJNYHHVYIBFG-UHFFFAOYSA-N 403.545 1.999 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)s1 2282062107 UBQBBINXBPPERN-NEPJUHHUSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3O)s2)OC1(C)C 2282340311 DNKRPBPNTCMYQW-STQMWFEESA-N 401.359 1.877 30 10 HDEE C[C@@H](O)[C@@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282502104 GSSHKWGVHZPJTN-RISCZKNCSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCP(C)(=O)CC2)OC1(C)C 2282504253 MCKBNRFZKUIIEA-UHFFFAOYSA-N 420.302 1.581 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(N)C3)c(Cl)c2)OC1(C)C 2282505276 AWCYPLNLDSXWGO-KRWDZBQOSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC3(O)CC3)c(Cl)c2)OC1(C)C 2282507999 PJJNCNWFRNLCTJ-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE CSCC[C@H](C)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282509258 IPASWZITFHGYGI-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE Cc1nc(C(=O)NCCCCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282517345 RRNRQIGMJQBXON-UHFFFAOYSA-N 402.347 1.305 30 10 HDEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)S1(=O)=O 2282619963 YNCCMHAFHACBKE-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCO[C@@H](CF)C1 2282829963 NIFLBUIKWSLGRX-LBPRGKRZSA-N 405.322 1.715 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H](C)C[S@@](C)=O 2282833608 YHDSAPQJZSTEFT-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CN(C)C)CC1 2282836493 KTTPXMFRODUTPB-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@@H]2CN)OC1(C)C 2282837149 SCUMIZVLHBCCIL-RISCZKNCSA-N 400.737 1.655 30 10 HDEE CC(C)(O)[C@@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849945 IXIIBXJJOIAOKA-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCO)C2CCC2)OC1(C)C 2282866822 PKPVOTBOSSORFQ-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE C=C(CS(=O)(=O)N1CC(CS(=O)(=O)C(F)F)C1)B1OC(C)(C)C(C)(C)O1 2282877666 VGNCFNPKWVZZJQ-UHFFFAOYSA-N 415.289 1.073 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](C(=O)O)C3CC3)cc2Cl)OC1(C)C 2284397080 IFBODAKEBXFUOM-NSHDSACASA-N 421.733 1.842 30 10 HDEE CC(C)(C=CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284402553 JXDXRTANKZOHJV-UHFFFAOYSA-N 401.315 1.745 30 10 HDEE Cc1ccc2[nH]c(C(=O)O)c(C=Nn3c(S)nnc(CCC(=O)O)c3=O)c2c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c1c(Br)cncc1Br 2367291141 OTYUCMFJIDUDOM-PEZYRPDVSA-N 402.086 1.863 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367791219 YAFGSQZDPGRSQF-HNAYVOBHSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367794544 IBKCYJWREYJHDM-YJBOKZPZSA-N 401.525 1.640 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2367802327 ACNSZMXKCGTPEH-VKJFTORMSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367805689 DKTWOHPRZVPWDD-HDMKZQKVSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)NCCOC[C@](C)(C(=O)O)N1CC[C@@H]2SC(=O)C=C2C1 2372929629 AWABNJAFCRQHDN-SCLBCKFNSA-N 400.497 1.645 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3cccc(OC)c3)cc2C1=O 5569444 NMHQYLGAIBLZQY-UHFFFAOYSA-N 408.410 1.950 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccccc2Br)CC1 27900493 WWVJVZSTGIKMQK-AWEZNQCLSA-N 409.328 1.696 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSCc2cn3cc(C)ccc3n2)CC1 42389649 DGUMRJCEWFOTAE-UHFFFAOYSA-N 401.536 1.322 30 10 HDEE C#CCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc(S(N)(=O)=O)ccc21 100875746 FRFHDTMCHLWXGZ-VZCXRCSSSA-N 414.512 1.791 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 105282979 USDKIYILGWHOET-HXUWFJFHSA-N 403.486 1.959 30 10 HDEE CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@@H]1CCN(c2ccccc2F)C1=O 433643595 VEHXXDXWUWZIBX-GOSISDBHSA-N 406.417 1.850 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 435447316 OSPZIHRVDUEATK-HOTGVXAUSA-N 416.528 1.497 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c[nH]c2ccc(Br)cc2c1=O)C(=O)OC 435932522 BXCWCAVPYYIMFM-CQSZACIVSA-N 409.236 1.765 30 10 HDEE CS(=O)(=O)N1CCC[C@H](CN2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 438998710 IWSUIIWDVHSWOI-QGZVFWFLSA-N 404.536 1.880 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 442278389 UAOOUAZIKGXMNA-ZFWWWQNUSA-N 404.492 1.119 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CC(=O)N(C)[C@H]3c3cccnc3)CC2)c1C#N 461188126 DHHZMFDYAGYJAS-YJBOKZPZSA-N 410.503 1.586 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 469754911 WZDPHQXHRPAZNT-QWFCFKBJSA-N 415.538 1.349 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 479075821 YOAWZRSTAHIWOW-CVEARBPZSA-N 423.491 1.061 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCN2CCN(Cc3ccccc3)CC2)c(F)c1 481027439 VKQAXUZIPZDHHD-UHFFFAOYSA-N 416.522 1.935 30 10 HDEE N#CCCC[C@H](NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 487346707 RQESLAGKWAZZBO-BZSNNMDCSA-N 403.504 1.573 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 499205009 OGBWRXJKMPSYAH-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C[C@H]2CCCCN2C)CC1 501137094 UWQODOWFOFLBAO-HXUWFJFHSA-N 423.565 1.779 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 508794001 QCVZUEGIUFQTMK-UHFFFAOYSA-N 422.493 1.677 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 509204381 DQBBZNQLKYMQIV-QSGSBWRWSA-N 402.879 1.819 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Sc1nnc(C)n1CC(N)=O 524524966 ADBWHHKOTMMJLX-GFCCVEGCSA-N 402.480 1.508 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(Cl)cc2)C1=O 535659226 OKFMJVGFMMZWCX-HOCLYGCPSA-N 404.854 1.178 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2=O)cc1 541890364 VVWYWTIIVQDCEF-HXUWFJFHSA-N 404.470 1.883 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)cn2)CCO1 546881611 BCOHWDMDRTURCY-KRWDZBQOSA-N 421.505 1.605 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)N2CCC[C@@H](C(=O)O)C2)CC1 547894293 QFUYRJBOEMMORM-MRXNPFEDSA-N 420.491 1.090 30 10 HDEE CN(CC(=O)Nc1cccc(F)c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 550217494 ZHTGHDLCJYEVSH-UHFFFAOYSA-N 404.423 1.073 30 10 HDEE CN([C@@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)CC1(C#N)CCC1 582513903 ASWMBGNOTVRJDS-CYBMUJFWSA-N 400.298 1.931 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 586863898 CZVIZLWZCYDDET-HXUWFJFHSA-N 424.476 1.721 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)NCCOc1ccc(C#N)cc1 610403406 UAVCQBPJYFUBDR-FQEVSTJZSA-N 418.457 1.776 30 10 HDEE C[C@]1(C#N)CCCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 612095311 LWVUZHNSGFGVDB-QGZVFWFLSA-N 412.537 1.604 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803588 LMBFUYVRFDIDFT-WBVHZDCISA-N 408.462 1.613 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCN(c3ncccc3C#N)CC2)C1=O 726585052 JWNMYXGGUUXXDQ-UHFFFAOYSA-N 415.457 1.369 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 729334250 KTIOLHRTKMUDMR-UYAOXDASSA-N 416.543 1.805 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2cc3ccccc3n2CC#N)C1 729767710 SGBZVOOMNBBWIC-SFHVURJKSA-N 412.490 1.795 30 10 HDEE CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732673818 GQLGKZMOKNJIKF-JOCHJYFZSA-N 410.566 1.706 30 10 HDEE Cn1ccnc1Sc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732706784 PGYMHHSJVJICMD-MRXNPFEDSA-N 410.503 1.709 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(=O)n(C)c1=O 733254533 XSTLANYJDWGODV-GPAKFWEMSA-N 403.236 1.241 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(C(F)(F)F)nc3c2)CCN1C1CC1 737199481 VGMRFHTWDXVXQT-LBPRGKRZSA-N 407.352 1.984 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 749532367 ZHJQLRHZRHGDJQ-VUEDXXQZSA-N 404.470 1.450 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 758750633 GNOKHRZGJVIMDJ-SJORKVTESA-N 400.479 1.909 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 758767901 JFOFRUQHKPLFCJ-CABCVRRESA-N 401.471 1.067 30 10 HDEE Cc1cc(S(C)(=O)=O)cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c1C 759173782 WEWMTLOVDSKPFD-UHFFFAOYSA-N 406.485 1.838 30 10 HDEE CCCOc1cc(F)ccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 760106282 GJNMWWUXYJABKW-MSUUIHNZSA-N 404.398 1.196 30 10 HDEE Cc1ccn(-c2ccccc2CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 768305056 RVJUWOJLPFMWQZ-UHFFFAOYSA-N 423.498 1.926 30 10 HDEE C[C@@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 769866941 XGZUFJMQCGINLY-DOXHGZAWSA-N 400.526 1.640 30 10 HDEE Cn1ncc(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c1C1CC1 770722345 YPSLBXORIXBFIZ-UHFFFAOYSA-N 406.490 1.842 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)cc2)CC1 777294341 HDTSRYQLQZYMIA-UHFFFAOYSA-N 412.515 1.960 30 10 HDEE N#Cc1cccnc1NCCNS(=O)(=O)c1ccc(NC(=O)c2ccncc2)cc1 782459978 QXKRZYDXTZCYCC-UHFFFAOYSA-N 422.470 1.991 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1OC 785872707 LRPKGRHZOWNKNP-CABCVRRESA-N 410.496 1.339 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCS(=O)(=O)c2ccccc21 793113134 RKJWSUIBSYVVHW-MRXNPFEDSA-N 404.469 1.465 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1[C@H](CO)C2 794109513 QALHJJSBFAWWRP-OTRWWLKZSA-N 405.520 1.656 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccoc2)c1=O 794607968 NJWBKYXLQNMBJD-OAHLLOKOSA-N 418.540 1.755 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4nc(C)oc4c3)CC2)o1 795657330 UFHVJPDIYDLFKB-UHFFFAOYSA-N 409.402 1.810 30 10 HDEE COC(=O)[C@H](NCCNS(=O)(=O)c1ccc(F)cc1F)c1ccc(C#N)cc1 799601789 ZDANTGQMANHWGU-QGZVFWFLSA-N 409.414 1.619 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 802600832 UTADPIQSOUDZLM-JKSUJKDBSA-N 423.514 1.672 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)C3(S(C)(=O)=O)CC3)ccc2c1=O 804542648 ZRUGQQMEIFZWAC-NSHDSACASA-N 407.517 1.567 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812176284 WHZVYOLEGYWDCC-LJQANCHMSA-N 412.538 1.848 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812309559 CEMYMBVIIPZHSI-IRXDYDNUSA-N 415.519 1.454 30 10 HDEE CC(=NNC(=S)NCCCN1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 814728178 NWIRWPBLDQCGCY-UHFFFAOYSA-N 409.468 1.234 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)N[C@@H]1CCN(O)C1=O 816691970 CVTCEFLTESSCAS-MRXNPFEDSA-N 407.423 1.655 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 820185927 RUAOKTJLQYRQKR-HNNXBMFYSA-N 411.386 1.486 30 10 HDEE C=C1[C@H](C(=O)NCc2ccc3c(c2)OCO3)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 864780397 SXTWLMSWQBKDBB-PMACEKPBSA-N 408.410 1.879 30 10 HDEE COCCNC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914552003 RFGVSHZRDXEKQP-OAHLLOKOSA-N 422.482 1.189 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnn(Cc2ccccc2)c1 915610746 HJWAGZHAYLFSGZ-UHFFFAOYSA-N 423.498 1.676 30 10 HDEE Cc1nn(C(C)C)c(C)c1C=NNc1nc(SCC(=O)N2CCN(C)CC2)n[nH]1 1084222452 AFNCTOFVOYWJBQ-UHFFFAOYSA-N 419.559 1.511 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1F 1127220454 LXYDAQMTACHIMT-LBPRGKRZSA-N 413.413 1.812 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)o1)S(C)(=O)=O 1136704819 NQAXPNLZIHEOMA-UHFFFAOYSA-N 418.475 1.905 30 10 HDEE COCCN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1=O 1137611073 OAXBWWYSWNOYQQ-UHFFFAOYSA-N 402.300 1.225 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1=O 1139683983 MEDSHNYIHMWLNM-AUUYWEPGSA-N 406.487 1.630 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCN(O)C2=O)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1141464152 YUQPRXLHUOAIEK-CQSZACIVSA-N 422.486 1.269 30 10 HDEE CCn1c(S)nnc1CCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1146634191 VTEGULJUXMNPCN-UHFFFAOYSA-N 407.540 1.896 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1148194257 KQRARHZSNBXWLH-ROUUACIJSA-N 417.531 1.829 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](C[C@H]1COCCO1)C(F)(F)F 1150871685 QAMCZYBAONOXPN-HZSPNIEDSA-N 413.400 1.369 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN(C)CCS(C)(=O)=O 1153926878 LRIFFVZEIBRVDL-ZDUSSCGKSA-N 411.952 1.115 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1OCC)C(=O)OC 1155779714 UDANLEAHCUCADY-SJORKVTESA-N 404.463 1.550 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1163598784 NIDCVSQOCOCBKX-QGZVFWFLSA-N 403.504 1.025 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1165470037 GBPQBWUURQTFRK-UHFFFAOYSA-N 414.487 1.359 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc1 1175869740 AYTXAJQPEVCZLK-IBGZPJMESA-N 409.471 1.591 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCN(C)C)c2cccnc2)cc1 1178399654 CAHNVIIAXIPGFJ-LJQANCHMSA-N 402.520 1.969 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)CC1(C#N)CCOCC1 1191165001 QRUGXXLHYORZQR-SFHVURJKSA-N 410.559 1.542 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc3c(s2)COCC3)c1 1195362458 GMATYNVSBDHXDN-UHFFFAOYSA-N 407.517 1.653 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1198701132 WXEAPDSQWPKTHN-UHFFFAOYSA-N 422.493 1.601 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1205523376 UCVFSVPPIKMYSG-UHFFFAOYSA-N 422.432 1.765 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1228508169 SLYJPPHMVZDAQM-KBXIAJHMSA-N 405.417 1.588 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)c(F)c1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 1251504494 GHGCHXOGJAVVFS-WMLDXEAASA-N 422.457 1.620 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)C(C)(C)C 1286288107 GHNBAFQBYNBBAS-CYBMUJFWSA-N 421.523 1.677 30 10 HDEE C#CCCCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1286357608 LPTWDEJMPMHBLD-JTDSTZFVSA-N 412.556 1.601 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1286392393 LTKASAIAEPDHFO-QGZVFWFLSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1COCCO1 1286423519 VKDRBPMTTMUQJC-WIYYLYMNSA-N 402.495 1.197 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCSC)CC1 1286490940 XYNGCQJWXHMZLQ-MRXNPFEDSA-N 418.567 1.338 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286508038 HHAYSCNESUAOJZ-LJQANCHMSA-N 424.574 1.986 30 10 HDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286610049 WBNUTTNBPNRYJM-GOSISDBHSA-N 414.485 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1286819366 ICNSAADYZKLMNI-UHFFFAOYSA-N 417.535 1.789 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286828921 AKXSYBUXEPBEQD-ZIAGYGMSSA-N 419.511 1.418 30 10 HDEE CC(C)c1nnc(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)n1Cc1ccc(C#N)o1 1287195682 FXDHJVNNDQEZKO-INIZCTEOSA-N 411.466 1.681 30 10 HDEE CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1295458087 TYSTVXZCZDULOZ-HNENSFHCSA-N 412.498 1.512 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)s1 1296954853 GRFZIIYPCGCBGK-CQSZACIVSA-N 420.578 1.181 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1298283906 SRNZBUBJIAHQMO-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1300270107 BDGOGRSMGABZII-LSDHHAIUSA-N 419.551 1.622 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1300409025 FCRRNYOHFBVHMJ-KRWDZBQOSA-N 408.510 1.436 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1300410135 LLGLRDSUJHDUFD-GJZGRUSLSA-N 421.548 1.628 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1300495194 FGEPVPGZXYKERR-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N[C@H](C)CC 1300505975 LGRWOCIJABOBDE-MRXNPFEDSA-N 407.478 1.303 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCn1cnnn1 1300523212 XTWPKFHBSOJZOT-UHFFFAOYSA-N 406.450 1.112 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N(C)C 1300537680 IHFXZDWNWFTLJD-MOPGFXCFSA-N 419.595 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1n[nH]c(C)n1 1300569634 PIOWGLAIUSKJAT-UHFFFAOYSA-N 417.473 1.848 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1300620369 BDHSJUFUQZVJFD-LJQANCHMSA-N 403.490 1.982 30 10 HDEE C=C(Cn1c(CC)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1301008799 ALBQNOLHUJTYBL-UHFFFAOYSA-N 412.538 1.439 30 10 HDEE COC[C@H](F)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1301060469 GITRCBQOYVKKNS-OLZOCXBDSA-N 413.413 1.307 30 10 HDEE C=CC1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301118875 MVLUKTNREJQKDX-UHFFFAOYSA-N 417.535 1.682 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCOC2)CC1 1301130003 KOGMOLSJHQTUOH-HXUWFJFHSA-N 417.535 1.823 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nnn(C)n1 1301426860 WKIHTPMNXZINFZ-UHFFFAOYSA-N 407.482 1.561 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1301490912 IDRNIHDOIARGMT-OAHLLOKOSA-N 409.498 1.098 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc21 1303899080 LWGFKBVNUDROLH-INIZCTEOSA-N 418.457 1.693 30 10 HDEE COC(=O)/C=C/[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1305797558 JHPFXLOYNXRTIL-GETOMWPZSA-N 407.492 1.519 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(F)c(Br)cc2OC)nn1 1309602647 CSJYTVHSWYNEQX-UHFFFAOYSA-N 405.249 1.853 30 10 HDEE C=CCOCCCNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1313022077 CROPHKVOJDDCFO-MRXNPFEDSA-N 409.527 1.943 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1nc(C(F)(F)F)no1 1313429688 FNKYHJLXFFRFKV-ZJUUUORDSA-N 410.360 1.731 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)SC 1316207063 SYVZNAZRMLSJKE-UXLLHSPISA-N 408.572 1.930 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1320320832 VBGSBXUOMQIXBO-ROUUACIJSA-N 402.491 1.898 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCCOC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1334737119 HDHFMMJUTHRRLC-MIDILNBFSA-N 418.534 1.515 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCNC(=O)C1CC1 1347059444 VNXIBFIDGRLRRJ-NSOKGPEJSA-N 403.523 1.522 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCNC(=O)C(C)C 1358946639 CPJDCCKGNUDSBL-UHFFFAOYSA-N 407.478 1.826 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1358985260 UHUGQMDZNMKIIP-AWEZNQCLSA-N 421.473 1.678 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359035916 IFHDTTAIYVXTOY-FQEVSTJZSA-N 422.533 1.196 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359056388 DPOWIFRBWDZHTM-XHSDSOJGSA-N 412.581 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1359065090 IKJGDSIGMWAMJY-NSISKUIASA-N 422.551 1.357 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 1359132369 VUFPPFHGXLSOFJ-HUUCEWRRSA-N 418.523 1.856 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359228066 SPUZTHMVTQGUCF-BRWVUGGUSA-N 412.556 1.777 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)C1 1359318421 FADSIOAQFNNFLY-MRXNPFEDSA-N 406.512 1.061 30 10 HDEE CN(C)CCn1nccc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1441242625 OAXVLAOVMXVYQP-UHFFFAOYSA-N 424.484 1.586 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1447978629 JEECWUPZSUKYFQ-OAHLLOKOSA-N 418.498 1.148 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1450331220 MTSHJSCFZVKDBW-AWEZNQCLSA-N 416.909 1.151 30 10 HDEE C=CCn1cc(CNC(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1451879614 OGPDHCLZNMDQTP-UHFFFAOYSA-N 404.471 1.626 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452502784 WJXCUFKLNUDNDF-ROUUACIJSA-N 424.592 1.656 30 10 HDEE CC(C)c1nc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nn1-c1cccc(F)c1 1453840118 FCAMYPPIHBWWDJ-UHFFFAOYSA-N 411.397 1.094 30 10 HDEE Cc1ccc(C(=O)Nc2cn(C3CCOCC3)nc2C)cc1S(=O)(=O)NCC#N 1455164140 BOORYFUTFJBTAP-UHFFFAOYSA-N 417.491 1.906 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1456203651 CASQVMAPMDEEAV-DZKIICNBSA-N 402.394 1.006 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C2)c(=O)nc1O 1457192586 GPTARRINWLOHHJ-HNNXBMFYSA-N 411.437 1.255 30 10 HDEE COc1c(C)cnc(CN2CCC(N(C)c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)c1C 1458166380 DPJUULGDOIEXAV-UHFFFAOYSA-N 412.494 1.067 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC[C@@H]2C(=O)OCC)s1 1463522764 CWVJTUMESAXPAX-CYBMUJFWSA-N 418.562 1.262 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1468801903 IRBXNNDUVPYKIL-DNZUHHBVSA-N 422.482 1.045 30 10 HDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1469266196 GAKMXDKKVAMXHA-GXTWGEPZSA-N 418.441 1.862 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1469368363 SAMXQGXEDNPYTK-ZJPYXAASSA-N 424.563 1.919 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)c(-c2ccc(C#N)cc2)n1 1469756092 JUQSSFCIGUNSSA-FUHWJXTLSA-N 413.503 1.535 30 10 HDEE CCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H](C)CS(C)(=O)=O 1470671032 CSOSSSFZXJVAOG-INIZCTEOSA-N 406.552 1.987 30 10 HDEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)CCc2c(C)nn(CCC#N)c2C)O1 1472009792 IOSOGNFTXIEJHT-IHPCNDPISA-N 404.511 1.768 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@@H]2C(=O)NCC23CCOCC3)n(-c2ccccc2)c1C 1473830602 CHIISFOIVSUCEB-HXUWFJFHSA-N 421.501 1.789 30 10 HDEE C#Cc1cccc(CNC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)c1 1478187425 SUBSJBQBOXCOJN-UHFFFAOYSA-N 414.483 1.755 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(N(C)C)nc1 1499008829 WGSIIYZYNMVYME-UHFFFAOYSA-N 404.478 1.885 30 10 HDEE CC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499729625 VJMFFLKZTWUMMC-SJORKVTESA-N 414.510 1.842 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504482123 AJSQIBNHRGKXGV-UDJKBAMHSA-N 423.477 1.482 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1505322475 OQQKDHOLKKNPNK-GXTWGEPZSA-N 422.898 1.157 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1507517509 IGEQVPQSIRIXIX-LAUBAEHRSA-N 405.543 1.235 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)COCCO1 1507658234 HRRUTDMVQUGYCD-NRFANRHFSA-N 408.462 1.194 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1507666548 BMWDWCJQUAPXEG-QGZVFWFLSA-N 422.489 1.414 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOC[C@H]2CCCO2)CC1 1507732070 SLMKMJHYUNWQNG-RBUKOAKNSA-N 403.527 1.123 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507812920 ZUQBVWTYGMQBED-IMFGXOCKSA-N 424.567 1.811 30 10 HDEE C=C(C)COCCn1c(N2CCC(CNS(C)(=O)=O)CC2)nnc1C(C)(C)C 1507847735 CMAZAQTZVYJEBP-UHFFFAOYSA-N 413.588 1.934 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507962244 OPMCHQCDWUZPOG-INIZCTEOSA-N 411.510 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cnn(C)n2)C1 1508108860 MWPQYQOTXLYTTM-QGZVFWFLSA-N 414.514 1.057 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2CCN(C(C)=O)CC2)C1 1508116626 HNKUDXXZCWICFL-GOSISDBHSA-N 411.510 1.775 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1508427761 RMGZDBKUAARODO-LSDHHAIUSA-N 418.523 1.671 30 10 HDEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1508692898 USUWJZKEPAYBBK-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)C1 1509430931 CKYJOKOMKASNIV-MSOLQXFVSA-N 417.558 1.467 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1509947912 XFOKUSLJXGIZEG-SPLOXXLWSA-N 410.478 1.933 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@H](C)O1 1512502094 XXXAHQNUUMHPBL-IRXDYDNUSA-N 415.494 1.741 30 10 HDEE CCC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1514376893 IDEXRUSAAJYWDH-DENIHFKCSA-N 410.522 1.889 30 10 HDEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1514851558 HTMNKQGSWAVQRP-SFHVURJKSA-N 407.522 1.875 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)C#N)CC1 1515897596 IANJKPKCVCGESO-RBUKOAKNSA-N 410.570 1.886 30 10 HDEE CS[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519755177 UPKSKRHQFROVNZ-LBPRGKRZSA-N 410.507 1.965 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 1524134078 WCHNDZNAMBEURR-UHFFFAOYSA-N 423.491 1.801 30 10 HDEE CC(C)OC(=O)[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1533746395 GJIOQNQQSZTMSE-AEFFLSMTSA-N 414.462 1.856 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F 1535417770 SMYXETUCKMJPPQ-UHFFFAOYSA-N 400.403 1.677 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1539004151 SEYBUXAPNLVICK-OAHLLOKOSA-N 421.505 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1539013208 IERXORADAYHUIG-JKSUJKDBSA-N 410.540 1.224 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1539015059 NRZFYUMJMIRZSA-FUHWJXTLSA-N 417.535 1.426 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1539016689 VDGVCBGWCWCIKK-WMZOPIPTSA-N 421.567 1.959 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539124412 FUEMEYQLVKGDOU-UHFFFAOYSA-N 400.527 1.161 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1Cc1nnnn1CC1CC1 1539271522 FEPVJTJAONMBGR-UHFFFAOYSA-N 400.490 1.695 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC 1539305970 ASLNYWUWMPJVPE-UHFFFAOYSA-N 405.911 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NC 1539542015 RNBLZLFWNDROAQ-RTWAWAEBSA-N 403.527 1.695 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)C1 1539645566 RDTSWVCFUACJHT-UTKZUKDTSA-N 411.506 1.817 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539744167 DHLHGLARIPLWOE-HOTGVXAUSA-N 402.499 1.023 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1539744176 DMPPVLDNIDBNII-FIKGOQFSSA-N 419.526 1.596 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540582944 BYMWEDNKUKAVSN-QGZVFWFLSA-N 414.510 1.153 30 10 HDEE Cn1cnnc1C1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1540715156 HQNUAKTYCXBKCP-QGZVFWFLSA-N 421.461 1.298 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1540872808 BAGDGPCEVSLHJW-SFHVURJKSA-N 423.565 1.877 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1540892105 FOHFQBCSXGGLTI-PGFLUOATSA-N 419.570 1.892 30 10 HDEE C=CCN1CCC(NC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1542975004 KBCAEZUKMBHEEY-JOCHJYFZSA-N 403.523 1.908 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(O)CCN(C(C)C)CC1 1543315644 FTBWJNWYYGMZMW-UHFFFAOYSA-N 424.553 1.415 30 10 HDEE CCc1nncn1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1544230136 QWTYKNHDHSCMBV-RDYUPDBUSA-N 402.499 1.744 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)cn1 1544354946 AFKCLTVCRHQYET-UHFFFAOYSA-N 412.475 1.356 30 10 HDEE Cn1cc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cn1 1545242679 YHKSUZJGSASSGY-UHFFFAOYSA-N 401.511 1.719 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1552681283 KJYBVHLFOBFMLK-IRXDYDNUSA-N 424.461 1.799 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1555421074 GPHXANRCKUABLC-XMSQKQJNSA-N 424.505 1.415 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCSC2)CCO1 1555994040 FECZVRHDGRCLDQ-DNVCBOLYSA-N 403.483 1.605 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)c(=O)nc1O 1556084939 HWARPTZJFCNMGQ-UHFFFAOYSA-N 403.398 1.389 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)c1 1557106387 VBTAPQYQFBBMJD-NSHDSACASA-N 409.489 1.885 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1557497347 NJNYUUGUTPSCHP-BEFAXECRSA-N 415.556 1.825 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H]1CCCCN1C 1558689042 ICUNSDLVIBBTCA-RDJZCZTQSA-N 406.552 1.740 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C(=O)OCC 1561875667 DCPXAWVXMLAGGP-MRXNPFEDSA-N 416.521 1.403 30 10 HDEE C[C@@H]1Cn2nc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2CN1C(=O)OC(C)(C)C 1566317707 GPMMFYGHMCRLSE-CQSZACIVSA-N 416.482 1.220 30 10 HDEE C#CC1(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1583332656 NQYBXDDFVWJBQZ-UHFFFAOYSA-N 406.504 1.321 30 10 HDEE CC(C)(C)OC(=O)/C=C/c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)co1 1585296624 LUJNUUFGTGORLF-YHOWVOJLSA-N 401.419 1.891 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1585297298 RUSMSBARVAWSHX-HNENSFHCSA-N 416.478 1.280 30 10 HDEE N#CCSCC(=O)N1CCCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1585774084 WWXWXNIKAIQIIC-DUXSEINCSA-N 403.548 1.898 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C#N)c2ccccc2Br)C1=O 1586862518 JIBYWMQYOMIOIN-GXTWGEPZSA-N 408.252 1.542 30 10 HDEE COC(=O)[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1587341904 SWEGXKYCVCICJU-OAHLLOKOSA-N 408.252 1.157 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OCC 1587990611 ZGEYQKUPXCATDV-KRWDZBQOSA-N 402.520 1.891 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588034889 NCVVIVBFJZJYLO-QRFRQXIXSA-N 407.584 1.724 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588074685 PSHQBEFDFMNLEP-BBWFWOEESA-N 408.524 1.181 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOC2=O)CC1 1588791441 UZAPVMAEYHNRPB-UHFFFAOYSA-N 419.489 1.414 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(C)C)CC1 1588885345 VTDMWJFLCKRPHO-UHFFFAOYSA-N 414.554 1.916 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](C(N)=O)C1 1589560342 ZDEWZFNXVDFQNG-CMKODMSKSA-N 410.522 1.947 30 10 HDEE C=CCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C(N)=O)C1 1594788599 PWXMIVZTQHRCDD-OAHLLOKOSA-N 400.439 1.758 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1595871518 UJYUNUSERZFZDN-UHFFFAOYSA-N 423.568 1.172 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc(S(N)(=O)=O)c1C 1596978491 OYVFWEWHMPRWBM-QGZVFWFLSA-N 413.503 1.934 30 10 HDEE CN1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1597305549 JQZCHWPVXMYKJO-QGZVFWFLSA-N 406.552 1.742 30 10 HDEE CC1=C(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1611833547 WEADZMBBTGRASA-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1615752892 ARNQSRKQHLUAFG-DHSIGJKJSA-N 404.450 1.104 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CC2)nnc1N1CC[C@@](F)(C#N)C1 1617572514 FFAYGECEZDEYAD-OXJNMPFZSA-N 403.506 1.540 30 10 HDEE C=CCOc1ccccc1CNC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1617630617 XDLZJXSSAXVZFY-UHFFFAOYSA-N 423.473 1.602 30 10 HDEE CN1CCN(CCn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1618488028 HDWSKSBZIHOQDB-IBGZPJMESA-N 415.586 1.766 30 10 HDEE C#CCn1cc(CNC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)cn1 1618807268 LAMSBZCRTYOFGS-SIKLNZKXSA-N 410.474 1.949 30 10 HDEE O=S(=O)(NCCN1CCN(CC#Cc2ccc(F)cc2)CC1)c1ccccc1 1620450958 LBNZFOBZTKTPEO-UHFFFAOYSA-N 401.507 1.773 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)C1 1622551208 GOWJVVYYHVPMMZ-CQSZACIVSA-N 409.464 1.456 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCC2)cc1 1624926780 HTYUBHQHKCPHJB-PGMHBOJBSA-N 407.496 1.243 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1C 1624991121 SGXDEWDGVLYGCV-UHFFFAOYSA-N 414.487 1.731 30 10 HDEE CC1(C)CN(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1627332159 ALZUHODBQWLYGQ-OAHLLOKOSA-N 404.898 1.792 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N(C)C(=O)NC)cc2)cc1 1633319688 UZFVIWGCMDYPRN-UHFFFAOYSA-N 400.460 1.626 30 10 HDEE C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1C1CCCC1 1634504709 OQBZBZVOWGCPOE-INIZCTEOSA-N 418.563 1.981 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]4OCCNC(=O)[C@H]43)CC2)c(F)c1 1636384334 IMVKLBUBCQYCIQ-OALUTQOASA-N 400.454 1.420 30 10 HDEE CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1637488004 HHKCKVQKGDXWNY-UHFFFAOYSA-N 419.482 1.459 30 10 HDEE Cn1c(=O)c2c(ncn2CC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)n(C)c1=O 1639034942 DHHMDOSAXMNLPM-UHFFFAOYSA-N 412.233 1.159 30 10 HDEE N#C[C@]1(C(=O)N2CCC(n3nncc3I)CC2)CCCOC1 1640511919 RBRPVXZUHMNART-CQSZACIVSA-N 415.235 1.367 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)CC1 1640727536 NOMWKAWOCHKGKJ-HZPDHXFCSA-N 414.462 1.472 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3(CC2)COCCO3)CC1 1644287710 WSNHLRAXAOBKCW-FQEVSTJZSA-N 416.497 1.416 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2c3ccccc3OC[C@@H]2F)cc1S(=O)(=O)NCC#N 1644625794 CTRHZGXUEIZGFP-MAUKXSAKSA-N 403.435 1.999 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(CCC(=O)OC)ccc2O)c1 1644674934 DVLYPFWECSTSKZ-UHFFFAOYSA-N 416.455 1.662 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2CCOC[C@@]2(CO)C1 1644676773 MXACQMGCRZLNDT-VFNWGFHPSA-N 418.563 1.595 30 10 HDEE C#CCN(CC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1)C(=O)OC(C)(C)C 1645897402 NCRHEUSIFSTWNL-UHFFFAOYSA-N 413.521 1.151 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](Cc2nccs2)C1 1647818083 SSZPSZKXIVYYPF-ZFWWWQNUSA-N 404.517 1.773 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 1648583404 TZMPPPGHIKTOOA-GDJIYFAZSA-N 403.552 1.950 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(c3n[nH]c4c3COCC4)C2)ccc1F 1648841106 XDSWYALCSITHRA-UHFFFAOYSA-N 420.466 1.325 30 10 HDEE Cn1c(=O)[nH]c(N2CCN(c3ccc(C(F)(F)F)cc3Cl)CC2)c(C#N)c1=O 1651832894 IDKVPJXFMZISFT-UHFFFAOYSA-N 413.787 1.944 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC)C(=O)OC(C)(C)C 1652872585 GWLFIMPGAYAILG-HUUCEWRRSA-N 411.499 1.607 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C(=O)OC 1655079662 KNOMCRPMWZZBHK-KBRIMQKVSA-N 405.426 1.355 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCO[C@](C)(C#N)C1 1656288982 JRMPZTYKNJICPZ-YVEFUNNKSA-N 414.915 1.532 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)ccc1Br 1661962715 DPSCYGMIPHJBPD-ZIAGYGMSSA-N 419.322 1.661 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1668209939 HNNXBIFIMHNAQP-HXUWFJFHSA-N 415.538 1.521 30 10 HDEE CCOC(=O)c1c(NC(=O)NCC2(COC)CCOCC2)c(C#N)cn1CCOC 1670021541 DHMDIXHVFDBXPJ-UHFFFAOYSA-N 422.482 1.748 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 1670382515 CNUAJRBYGFTLSM-QGZVFWFLSA-N 406.504 1.719 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1csc(NC(=O)OC(C)(C)C)n1 1670883015 UHIKIVMCFPVSEM-UHFFFAOYSA-N 404.514 1.890 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 1677656528 HWLICDVSMUMPQO-PKOBYXMFSA-N 420.535 1.723 30 10 HDEE CO[C@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CCOC1 1682635664 KDZMTJNFLLIPIA-AZUAARDMSA-N 424.505 1.831 30 10 HDEE CN(CCOCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2)C(=O)OC(C)(C)C 1687100552 FQCQWGRIXLQNQD-UHFFFAOYSA-N 411.499 1.917 30 10 HDEE C#CCN(C(=O)NCCN1CCNC1=O)[C@H]1CCOc2ccc(Br)cc21 1687629335 UWKICQUBAWGKAG-HNNXBMFYSA-N 421.295 1.943 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1689910621 LVZCKOFWGALUMO-KRWDZBQOSA-N 409.494 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@](C)(O)CC 1690013691 YVPDHOUGXKIHCF-QHCPKHFHSA-N 418.501 1.909 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1690077041 HMUYIJOCFUEGNS-HNNXBMFYSA-N 420.514 1.182 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CC)c1 1690092500 KYSCSLPZOATWBY-UHFFFAOYSA-N 408.466 1.276 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN(C)CCOC)CC1 1690115327 BDHGVWFZJNKIHH-UHFFFAOYSA-N 421.549 1.540 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1690125904 QDQJXUCSTDPUQK-UHFFFAOYSA-N 407.497 1.739 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C2CC2)N(C)C)CC1 1690129481 YPQJTEDRXFHPPE-LJQANCHMSA-N 413.595 1.729 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCC=C)CC1 1690132533 SFSIEHFZOKEUAK-UHFFFAOYSA-N 408.506 1.223 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690168173 ZDAMVSMLHLCOGU-UHFFFAOYSA-N 420.564 1.178 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCSC2)C1 1690328916 QLIXKDHGOOCGHW-DOMZBBRYSA-N 405.977 1.974 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1690700908 ZLHZAXIEPZTHEP-MSOLQXFVSA-N 424.567 1.778 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1691002975 ABHJFQKPZLKRTN-GDBMZVCRSA-N 422.555 1.397 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1692667406 DUGWGJXFEPVEIM-INIZCTEOSA-N 423.477 1.326 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCOC1 1692672226 FDIAEUBRFUSKRM-DOTOQJQBSA-N 412.494 1.855 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cs1 1693351815 HIKSQZSCELOEQC-LIRRHRJNSA-N 417.514 1.991 30 10 HDEE CCN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1695562315 KTZGCMLTSAOOOU-FMQUCBEESA-N 407.478 1.779 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1705509053 AXJFKYQUHGOAKA-CQSZACIVSA-N 412.560 1.043 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705516501 CQBVSOUFBOYPFF-ROUUACIJSA-N 401.511 1.413 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1705530874 XWUWNPIBPGXTTQ-UHFFFAOYSA-N 415.505 1.994 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1705561398 PWLGWXXBYDNJMC-LPHOPBHVSA-N 408.524 1.280 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nccs1 1705576735 QKIUOGQJXBLWCL-UHFFFAOYSA-N 411.512 1.926 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCN(C)C)cc1 1705583003 OKGSFTYVXXJYEG-FQEVSTJZSA-N 407.518 1.844 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CC1COC(C)(C)OC1 1705658563 TYDOPJFBMBQIAE-UHFFFAOYSA-N 402.524 1.937 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)noc1C 1705666319 BJDVCLNSVQCLGX-SCLBCKFNSA-N 406.512 1.534 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1705935661 ZRMZTDUWCCGVPV-UHFFFAOYSA-N 423.583 1.574 30 10 HDEE C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1706902607 CZFSRAOJFAFOKD-LIRRHRJNSA-N 416.507 1.098 30 10 HDEE CON(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N1CCSCC1 1712656676 LGUVSCIKCKUVOY-UHFFFAOYSA-N 422.536 1.193 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712876737 TYFHQTFDLSABKN-SQGPQFPESA-N 403.433 1.990 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1712884243 JCHGOLLLLUUKQK-MOPGFXCFSA-N 402.543 1.901 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1722371749 XYBVIBAFFCBNNG-BBWFWOEESA-N 410.540 1.285 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(C)(=O)=O 1722373178 FNKKYAWVOJELIK-OAHLLOKOSA-N 404.467 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCCC(C)C 1722395861 CEBDULWMPQLUJB-SFHVURJKSA-N 406.552 1.706 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCCCC2)CC1 1722436855 GJYXFFNIYBGIHN-GOSISDBHSA-N 405.568 1.516 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1722438351 WNEKRIPPTYOYCH-GOSISDBHSA-N 416.570 1.117 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCOC(C)(C)C2)CC1 1722444241 HYGFCRKPGJDSNX-UHFFFAOYSA-N 416.570 1.478 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)N(CC)CC 1722471261 DCQHRXLBYOQESJ-IIBYNOLFSA-N 400.527 1.870 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1 1722506016 LGPYTDAXNJGQQB-WMZOPIPTSA-N 417.535 1.865 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722506705 VRQCWBAWSQGVDJ-FTRWYGJKSA-N 416.526 1.049 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722522245 GHYYCBUYEJHFOB-MRXNPFEDSA-N 411.510 1.926 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1722631583 QPBHZTJGDLJBBW-ZACQAIPSSA-N 412.604 1.879 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722701171 IMWZJGPIQVXBEI-CYBMUJFWSA-N 400.449 1.606 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1722702056 JHGRXMHCAXDQQH-UHFFFAOYSA-N 402.405 1.876 30 10 HDEE C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1723866354 BNCBYGDQCSLQBM-HZPDHXFCSA-N 423.587 1.360 30 10 HDEE Cc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)sc1C 1724087749 DDZOBFJXDREYAN-DYVFJYSZSA-N 424.527 1.744 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1729541781 BWYZOGIFOFMJBE-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729833020 GUPIKDCNGOEOGR-LSDHHAIUSA-N 407.482 1.685 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1=CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1735515439 FHRYOCVTZADOSU-FZWBFHRNSA-N 401.507 1.156 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740532252 CVKWJNJMDDMRQR-HUUCEWRRSA-N 405.524 1.598 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1Cc1nnn(C)n1 1740632732 WDIOYZQKAIPQKD-AWEZNQCLSA-N 410.869 1.716 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1740643501 JMVCKQKGDWLLRN-NRFANRHFSA-N 407.499 1.670 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1740674379 DSRDTOCFBDFNMH-SFHVURJKSA-N 408.506 1.909 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCC2)CC1 1740695950 HZSTYZMOVIAXCO-HXUWFJFHSA-N 400.571 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(O)c2)CC1 1740704926 WNXOCADXBMPVSD-UHFFFAOYSA-N 417.473 1.455 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)Cc1ccccc1 1740898942 BBITVUKLMDGUTP-KRWDZBQOSA-N 417.535 1.461 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740954467 NJMVQYKBTVMPMJ-RTBURBONSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCSC[C@H]1C 1740963779 XBKLMKKDYHVPAR-CYBMUJFWSA-N 420.564 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1740985693 KHOCCCPUNIQOQN-HUUCEWRRSA-N 407.540 1.350 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1744096604 GLINUEQSZSYBKI-HNNXBMFYSA-N 419.530 1.230 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1746506254 XDOSTLKNNBJRSC-RTBURBONSA-N 424.505 1.699 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cc(C)cn2)CCOC1 1746699154 GGFHNEGKZCOINK-RBUKOAKNSA-N 403.462 1.577 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1748667603 XAVSJQZASCFVDA-PXIJXODZSA-N 408.462 1.592 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cc(C)cc(C)c1 1748789739 BJMKKLYSTCXZGB-QGZVFWFLSA-N 402.520 1.945 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1CCNS(=O)(=O)c1ccc(C)s1 1748895182 QIYKVXSQGQRWEK-UHFFFAOYSA-N 405.549 1.652 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1748906723 XUWAZCQRYTWNIJ-GXTWGEPZSA-N 408.528 1.756 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1748923032 RAYFQNWACVAQER-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749026798 QHAAKSNHHPUUDW-INIZCTEOSA-N 420.560 1.943 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C 1749158276 FOPHMBURWCWQAF-MRXNPFEDSA-N 411.572 1.745 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCCS(C)(=O)=O 1749485274 PLSKRYAWXSBXJQ-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1749602520 HYOIHSGQAQUZTI-UTKZUKDTSA-N 412.494 1.306 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1749657887 FAGIMNHMUHVKIO-ZHRRBRCNSA-N 422.489 1.503 30 10 HDEE CSCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1750318503 OVVALCWHDGDYGZ-BBRMVZONSA-N 401.533 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1760103347 DCHLTZUYNOPCQG-INIZCTEOSA-N 414.535 1.946 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1760151642 JIPVSWDUNVSXRE-GOSISDBHSA-N 405.510 1.987 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1760180326 CCXBZHVYEWXVKJ-XLIONFOSSA-N 422.551 1.355 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760187364 VJUCYVDHPPOSSZ-KRWDZBQOSA-N 404.540 1.080 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C 1760205443 BJRLKYOUUSUOJI-GOSISDBHSA-N 406.538 1.475 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760347776 WVDCGLVDHGNHJP-LJQANCHMSA-N 400.508 1.705 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1760523812 IIAOEIFXDPLGOX-UHFFFAOYSA-N 400.462 1.104 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC)C1 1760525168 WTXGJFWPPSHAGH-MRXNPFEDSA-N 414.485 1.273 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCSC2)C1 1760533040 AOXOXASVQTUANK-BEFAXECRSA-N 407.540 1.163 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)C[C@H](C)C(=O)NC 1760552955 HCZFZLNDZPLVBG-INIZCTEOSA-N 419.551 1.673 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCN(C)C 1760693121 LVPYHIWBGRZNSV-HNNXBMFYSA-N 400.483 1.848 30 10 HDEE CC/C=C\Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1765338930 PYASMEIQJFNYCF-SREVYHEPSA-N 420.525 1.885 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@H]1C2 1766724870 GNZTYXGACVVVOO-RDJZCZTQSA-N 400.508 1.745 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC1(C)C 1769115582 QUKVCZLUUZVATQ-QGZVFWFLSA-N 422.493 1.767 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1769757564 GMPJTPKQAPFTMD-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE COCCn1cc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cn1 1769870178 NTYHSJOPMWVOOO-UHFFFAOYSA-N 407.482 1.071 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCCO2)cc1 1770733270 VUFWJXINEHOCKG-LJQANCHMSA-N 424.505 1.857 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)ON1C(=O)c2ccccc2C1=O 1772787601 NEDMMVIFQHMBMG-HNNXBMFYSA-N 419.434 1.406 30 10 HDEE Cc1cc(C)cc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1851328424 QHXXZSGKLUMRPE-QGZVFWFLSA-N 404.474 1.667 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)cc2N(C)C1=O 1851616320 JCSAWLVDTZTGIL-VIFPVBQESA-N 419.381 1.914 30 10 HDEE C=CCN(C(=O)c1cc(I)cnc1OC)[C@H]1CCN(C)C1=O 1852271069 PEFLPKUJWFFYCK-LBPRGKRZSA-N 415.231 1.554 30 10 HDEE Cc1nnc2c(N3CC[C@H](NC(=O)c4cn5cc(C#N)cc(Cl)c5n4)C3)nccn12 1852809286 NUNZHZUMSNMTMI-ZDUSSCGKSA-N 421.852 1.614 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)CCc2cc(Br)ccc2OC)NC1=O 1852994518 ZFQJEDCEBSDIDI-UHFFFAOYSA-N 408.252 1.711 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1853319736 FYWGNZWZSMOOSO-AZUAARDMSA-N 415.490 1.440 30 10 HDEE C=CCN[C@H](C)[C@@H]1CCN(C(=O)Cn2c(=O)c3oc4ccccc4c3n(C)c2=O)C1 1853539866 NRQOLDDXUCMUGS-HUUCEWRRSA-N 410.474 1.459 30 10 HDEE Cc1cccc(OCC(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1854019151 YJJRARAFQTYIQL-QGZVFWFLSA-N 402.428 1.793 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)c(C)c1 1854025005 DPVMSBLJZOKFGZ-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O 1854184874 BYCZZZYJLDFFIL-ZIAGYGMSSA-N 410.396 1.560 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(Cl)nc3ccccc23)CCN1S(=O)(=O)CC#N 1854759719 AYWACBRCEADCHZ-LLVKDONJSA-N 406.851 1.414 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@@H]2Cc3ccccc3O2)CO1 1855321576 NRCLURYMNBPBEH-RDJZCZTQSA-N 400.412 1.410 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)Cn2cnc3ncccc3c2=O)C1 1855463586 PIOGBEADWXHFBL-SJORKVTESA-N 409.490 1.597 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)cc1 1855644460 RHHPSAAEGRLLLX-VQIMIIECSA-N 408.502 1.909 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@H](F)C3CCCC3)C(=O)O2)CC1 1856672284 SVPVMWFNRPYBKY-HUUCEWRRSA-N 401.460 1.427 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4ncccn4)C3=O)CC2)c1 1857009350 SSQQWQYHNTWAKD-KRWDZBQOSA-N 406.446 1.275 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1857024581 ULMLMOXYEVCHQO-DLBZAZTESA-N 410.478 1.457 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)COc3ccccc3)C2)CC1 1857026198 IWOHPFSZNBXUHT-INIZCTEOSA-N 405.476 1.006 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857066830 ACDIETLPUOOPAA-QFBILLFUSA-N 413.522 1.317 30 10 HDEE CCOc1ccc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857110355 VDMBFVRPONEQRY-LJQANCHMSA-N 406.442 1.856 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)C2CC(C)(C)C2)C1)C1CN(c2nccnc2C#N)C1 1857380938 HILKZXJUPUAFPO-HNNXBMFYSA-N 410.522 1.670 30 10 HDEE Cc1nnc(O)nc1N1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 1859428010 FOPNGUWOKUKJMI-CYBMUJFWSA-N 409.475 1.494 30 10 HDEE COc1ccc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874341679 POGRIYUBRMRSJE-PZUDMAOCSA-N 403.508 1.978 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2cccn2C)o1 1874433156 LAGWQDOMPRYPQZ-AWQFTUOYSA-N 416.463 1.807 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(S)n2/N=C/c2ccccc2S(=O)(=O)O)CC1=O 1874566026 GTCZIKBMVWXONJ-BEAUZRKQSA-N 423.520 1.810 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)CC1 1889295719 GZDUXRVYPKCLNI-UHFFFAOYSA-N 413.566 1.560 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)c(F)c1 1889736339 USSXOINDKXRNAA-UHFFFAOYSA-N 406.421 1.992 30 10 HDEE Cn1cc([C@@H](C#N)N(CCO)C(=O)OC(C)(C)C)c(I)n1 1929103136 CCFWMXGAWXZZCS-SNVBAGLBSA-N 406.224 1.819 30 10 HDEE C=CC1(NS(=O)(=O)c2cc(Br)nn2C)CN(C(=O)OC(C)(C)C)C1 2019457024 KEVICFROBSLBKX-UHFFFAOYSA-N 421.317 1.636 30 10 HDEE CC1(C)OB(c2cncnc2N2C[C@@H]3OCCN(Cc4ccccc4)[C@H]3C2)OC1(C)C 2052551689 IQQRCYYPMNUDFY-PMACEKPBSA-N 422.338 1.865 30 10 HDEE N#CC1CN(S(=O)(=O)N2CC=CCC23CN(C(=O)OCc2ccccc2)C3)C1 2086536970 WFSXTICRCOZRBO-UHFFFAOYSA-N 402.476 1.340 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174789464 QUWZTDIECOGSPV-SYMLIENRSA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CO1 2243677723 ZKKOQMILAQBSQQ-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247830351 YPLARGBPMAZIJS-FQEVSTJZSA-N 420.319 1.838 30 10 HDEE C[C@H](CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247838227 FGWBXADPVVLDJK-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE Cn1c(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)cnc1CNC(=O)OC(C)(C)C 2248413015 REWBFQPBFLPHPY-UHFFFAOYSA-N 418.303 1.809 30 10 HDEE Cn1nc(C(=O)NCc2ccn(Cc3ccccc3)n2)cc1B1OC(C)(C)C(C)(C)O1 2255610686 PKWCIOWADWCKSV-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE C=CC[C@]1(CO)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2272099294 DZENBWMQSPNXKP-PMACEKPBSA-N 424.494 1.601 30 10 HDEE Cc1nn(C)c(C(=O)NC2CCC3(CC2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2281988464 MQUIXSPLGCEFDP-UHFFFAOYSA-N 405.304 1.443 30 10 HDEE CC[C@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(N)=O 2282314826 FXBXTIWJNZPQHO-INIZCTEOSA-N 402.347 1.288 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCNCC2(F)F)OC1(C)C 2282339834 XZCKUCABQQCXGZ-NSHDSACASA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CCC[C@H]3O)s2)OC1(C)C 2282343732 HLBBOFWSKQSNRN-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H]3C[C@]3(F)C2)OC1(C)C 2282491617 LWEROMTXYYUQKA-BZNIZROVSA-N 402.322 1.706 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](CO)C3)c(Cl)c2)OC1(C)C 2282496755 GYOYXJRMPRFXAN-GFCCVEGCSA-N 401.721 1.642 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2Cc3ncsc3C2)OC1(C)C 2282499040 MJWXRDHIVIIDKO-UHFFFAOYSA-N 413.355 1.744 30 10 HDEE CN1CC[C@@H](CN(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282499888 TVQOOWDZEDNPLY-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282507180 CUQCVIGMSBGQIU-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282616819 FTPFCAXTULYTSL-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE C[C@H](O)CN(C[C@@H](C)O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282627392 HUFGWJBNCILZBR-PHIMTYICSA-N 403.737 1.905 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834869 YOMIBSCUZGIEGU-RUZDIDTESA-N 401.359 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN[C@@H]1C 2282844135 YNQSNTFMLMSJBX-YPMHNXCESA-N 400.375 1.775 30 10 HDEE C[C@@H]1C[C@H](CN)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855200 AUHBLHHQFAXTAM-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC1(C)CNCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860319 YMJHWRZLHNRYRV-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1C[C@H]1C(=O)O 2284408104 SCLOUFGAIFEDCU-WDEREUQCSA-N 401.315 1.355 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284424390 HPTDDSQZJQQIEH-SNVBAGLBSA-N 401.677 1.626 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2289421014 LMNNYUJRAFYUEY-AORWBKJGSA-N 406.379 1.351 30 10 HDEE CC(=O)N(C)CCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2364953907 MIWTYBIXQLNMPA-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2365175519 HUQHFXMVEIPAOK-JKSUJKDBSA-N 403.541 1.836 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365210530 ISPGKNMOSRMNFW-CLCXKQKWSA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C12CC2 2365213682 XUQLTFZOLQBDIK-KUHUBIRLSA-N 400.541 1.306 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CC)CNC(=O)OC(C)(C)C 2365213729 YFWZZBOCFSQIAI-KXBFYZLASA-N 404.573 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(C)[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813925 HFBANHYVKHLRTE-MPGHIAIKSA-N 400.541 1.435 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc([N+](=O)[O-])ccc21 13791906 BHVPOGHFCHXPSO-GHXQLAGASA-N 422.488 1.343 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)SCC(=O)Nc2ccc(F)cc2)CC1 105264367 YETZMNLMGVJDJV-HNNXBMFYSA-N 422.526 1.332 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2cc3sccc3s2)CC1)n1cnc(C#N)n1 409830486 DZESGNVKBQBZBI-LLVKDONJSA-N 400.489 1.972 30 10 HDEE CCOC(=O)[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 461185663 LZXQDGJGYZFFSF-IBGZPJMESA-N 414.483 1.936 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C 461299681 HDALXCVQQVLGTF-GOSISDBHSA-N 403.446 2.236 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1CCN(C(=O)c2ccoc2)CC1 461302249 SDLZJLBRPCMRTP-UHFFFAOYSA-N 404.430 2.531 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1C(F)(F)F 476804386 JICSHFQSLSXYLZ-OAHLLOKOSA-N 424.379 1.412 30 10 HDEE N#CC1(CS(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)CCC1 477596242 DMNTZLOXONQMBP-UHFFFAOYSA-N 409.533 1.857 30 10 HDEE COC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H](CC(N)=O)N2C=C(C(C)=O)C=C[C@H]21 504706830 FFNCCEPTDSCWGF-MXKPZRPRSA-N 409.442 1.433 30 10 HDEE biogenic Cc1noc(C)c1S(=O)(=O)N1CCCN(Cc2cnc3ccc(C#N)cn23)CC1 506274345 UVZLGRHHHRZZOP-UHFFFAOYSA-N 414.491 1.707 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COc2ccccc2)C1 508729860 KTBXEBVFQHQMFC-WMZOPIPTSA-N 418.519 1.650 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)ccc1C(F)(F)F 511044278 OYVILSINCKWRPC-UHFFFAOYSA-N 415.315 1.972 30 10 HDEE CC[C@H]1CN(c2ccccc2)CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 514977510 PUKIDXYZZLEEJS-SFHVURJKSA-N 412.515 1.964 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4COCC[C@H]43)CC2)cc1 531797101 AXOKLRMFBQOPFU-UYAOXDASSA-N 417.531 1.986 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCCC[C@H]3S(C)(=O)=O)cc2C1=O 532119095 ZYYQKRVRDBKGGO-DLBZAZTESA-N 404.488 1.896 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cc(C#N)ccn2)CC1 533244103 AGRUYTZAPHLLOR-SIKLNZKXSA-N 418.545 1.854 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@@H](C)N2CCN(c3cccc(C#N)n3)CC2)cc1 544881747 NHCNDOPKPIQWLQ-MRXNPFEDSA-N 407.474 1.567 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCC(=O)N3CCCc4ccccc43)CC2)n1 546171756 FKIRQIRBGNVIQQ-UHFFFAOYSA-N 404.474 1.764 30 10 HDEE CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc21 586310446 XDQARJAWZVLYDM-CFJPQMKISA-N 405.476 1.124 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)O[C@H](C)COC)cc21 586315917 ZNFBNGOIKJVQKI-MZICGWGFSA-N 423.487 1.496 30 10 HDEE N#CCN1CCC(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 609330653 XCKGMTOKNOVYGR-NRFANRHFSA-N 416.481 1.998 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CC2CCC2)C1=O 730143437 BOBGHIMHKOGWKD-YQMDHOPXSA-N 417.579 1.792 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732154191 SFPTVURUNKXGCN-QCLNCQLRSA-N 424.501 1.629 30 10 HDEE CN(Cc1ccccc1N1CCOCC1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465606 ICVRHYGLXXATDG-VXPUYCOJSA-N 413.478 1.191 30 10 HDEE Cc1cc(NS(=O)(=O)c2cccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)no1 732678423 BRDGDFIECXIQAX-INIZCTEOSA-N 415.475 1.596 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)nc(C(C)C)n1 751734593 VMBWSAPHMPJXPR-UHFFFAOYSA-N 410.478 1.624 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3cccnc3-n3ccnc3)C2=O)cc1 753061308 KPVNVHWOKRVAKD-IBGZPJMESA-N 415.457 1.739 30 10 HDEE C#CCN(CC(=O)N(CCOC)c1c(O)nc(=O)n(CC(C)C)c1N)C1CCCC1 756911487 QRPWMBOOOQGXRQ-UHFFFAOYSA-N 419.526 1.044 30 10 HDEE CCOc1cccc(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 760804149 CHTNRTKGWYDYGP-AWEZNQCLSA-N 416.503 1.656 30 10 HDEE Cc1ccccc1-c1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 761023053 JIOZUJSXWNOSED-UHFFFAOYSA-N 412.427 1.827 30 10 HDEE C#CCN(Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1)[C@H]1CCS(=O)(=O)C1 766879477 NQFLSIYJPWZDJC-LBPRGKRZSA-N 417.413 1.164 30 10 HDEE C#CCN(C(=O)Nc1ccccc1N1CCN(CC)CC1)[C@@H]1CCS(=O)(=O)C1 773312872 BWOXCUNEOOCHAR-QGZVFWFLSA-N 404.536 1.483 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780984047 KLPIGFSHJQZVMT-QFIPXVFZSA-N 407.470 1.958 30 10 HDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 782927212 URAOAISFIKUDBT-UHFFFAOYSA-N 414.490 1.217 30 10 HDEE CN(CC(=O)[C@@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cccs1 787059400 GHEAQUDDCMGGRK-CQSZACIVSA-N 400.416 1.754 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 804946302 CWQQCSNCOAWQJI-OAQYLSRUSA-N 418.497 1.692 30 10 HDEE C[C@H](O)CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H](C)CO 807247986 HWDJTJWXQSCXMT-KBPBESRZSA-N 401.488 1.493 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCC1)C(F)(F)F 810662037 YBGOWLJMXIQORI-JTQLQIEISA-N 413.418 1.972 30 10 HDEE C#CCONC(=O)c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 812786316 GOBRBXFQBQQZHK-UHFFFAOYSA-N 405.388 1.699 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCCc2cnn(C)n2)C1=O 814703544 MNNJTMYFKNTHCG-OAHLLOKOSA-N 404.471 1.655 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC(=O)N2C(C)(C)C)cn1 816402738 PDIDTQLONQHQAQ-AEFFLSMTSA-N 413.478 1.544 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)cc1 816804956 KKKFZDKOYHYEHQ-INIZCTEOSA-N 412.533 1.028 30 10 HDEE O=C(CCc1nc(-c2cc(Br)cs2)no1)N[C@@H]1CCN(O)C1=O 820186197 WAGBIZCMDCKMOW-MRVPVSSYSA-N 401.242 1.600 30 10 HDEE CC(C)CN(C(=O)CON=Cc1ccc(-n2cncn2)cc1)[C@@H]1CCS(=O)(=O)C1 913034603 YHGFGNFATXNWAO-GOSISDBHSA-N 419.507 1.290 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1129062885 BPBLLCPJNNLFKQ-MOPGFXCFSA-N 407.536 1.297 30 10 HDEE CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 1129175767 PDJSRXBBLNMWDU-CABCVRRESA-N 416.544 1.456 30 10 HDEE Cn1c(=O)n(C)c2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1136433314 FITNRUMZGOZUBR-UHFFFAOYSA-N 402.407 1.566 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 1144868294 WJAGNXTULLDQRQ-UHFFFAOYSA-N 415.515 1.815 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1144922634 KAGAHLMBBVYQOY-CQSZACIVSA-N 416.902 1.770 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC)cc2C(N)=O)s1 1147318507 VYAYECSRBBNQPM-UHFFFAOYSA-N 423.516 1.891 30 10 HDEE CC[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1156046187 ULVOLZVBKBOCOO-DZGCQCFKSA-N 409.508 1.709 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)CC2=O)cc1 1158318241 HUJAHTVZCVYHEQ-ZBFHGGJFSA-N 404.417 1.674 30 10 HDEE C#CC1CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 1161505807 QJNNHLQROHNPLP-UHFFFAOYSA-N 402.520 1.898 30 10 HDEE COCC(COC)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1161739805 WIKSICTUSIKTOV-UHFFFAOYSA-N 423.554 1.443 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1180090183 ZYAGHJJZWWZXSE-ZMYBRWDISA-N 407.492 1.417 30 10 HDEE N#Cc1ccc(F)c(NC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1206054607 ASXFRYGUYSWCHE-UHFFFAOYSA-N 411.441 1.678 30 10 HDEE N#CC1(NC(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCOCC1 1266490366 KCPQAKNPNJAVAV-UHFFFAOYSA-N 419.279 1.709 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1286297822 ZKVPFLAZRTWFHF-OAHLLOKOSA-N 405.524 1.227 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1286317774 QROIKHICMCQOCQ-DOTOQJQBSA-N 421.523 1.863 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286349267 GXLZFQGHPKWSPQ-MRXNPFEDSA-N 409.556 1.446 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1CCC(=O)N1 1286372960 AKKFDFVSHCZGCF-JKSUJKDBSA-N 416.526 1.741 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1286385919 RDIFPXRPEKTNMR-ZACQAIPSSA-N 408.568 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC(=O)NCCc1ccccc1 1286410567 CTUPWKIVOCFNQS-UHFFFAOYSA-N 412.497 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC(=O)NC1CCCCC1 1286459059 JROHQWAGCDVPDO-UHFFFAOYSA-N 413.526 1.604 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1ccc2c(c1)CCO2 1286469101 QPGWTXVJBHOFLF-UHFFFAOYSA-N 423.517 1.664 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(N)=O)cc2)CC1 1286476813 GDNYIKPQSZDNCN-UHFFFAOYSA-N 418.505 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286560994 LFXDURVMZXIDDX-BGTYHANMSA-N 402.499 1.510 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1286581106 FVMPUGVORZMEPT-GFCCVEGCSA-N 423.461 1.261 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)CCOC)CC1 1286651887 NXTZLGJECVVMSJ-UHFFFAOYSA-N 413.526 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@H](C(=O)OC)C1 1286784437 HJNBAKXWJZLAPE-MRXNPFEDSA-N 420.473 1.795 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1286966441 STTFFQMEZNNMOD-SOLBZPMBSA-N 421.505 1.878 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3CCC(N4CCOCC4)CC3)C2=O)cc1 1297333036 AIJBXPXTXGYQOV-CBNMVNINSA-N 410.518 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC 1300322249 PVNKDSIWYSYEPV-INIZCTEOSA-N 405.524 1.481 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC 1300547182 IBUPOAHHHJZIPP-IAGOWNOFSA-N 421.567 1.209 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)SC)CC1 1300685173 IKHIEGZUZJSECX-XLIONFOSSA-N 407.584 1.825 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C)cc2)CC1 1300699892 JEVZTVQYGQMXJP-LJQANCHMSA-N 413.547 1.292 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300984376 AZYAGMZQFZIOGB-KSFYIVLOSA-N 424.505 1.870 30 10 HDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1302208116 NSTASUPJLSPWCJ-UHFFFAOYSA-N 412.494 1.586 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1303111760 MZDKVQOFLHHFRZ-HNNXBMFYSA-N 410.492 1.764 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnnn1C 1303931693 IDNIMAGEYYYGGV-HIFRSBDPSA-N 412.429 1.463 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1304711139 BZSCNLGPVKILIE-SFHVURJKSA-N 416.489 1.860 30 10 HDEE Cc1cc(O)nc(C(C)(C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)n1 1307767626 FEKXNDNWENZXTI-HNNXBMFYSA-N 414.535 1.786 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1309651625 ZXVFNBBCEOCPCS-MOPGFXCFSA-N 408.520 1.871 30 10 HDEE CCOc1ccc(Cl)cc1CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1312317514 PUSINIBAAQRHFL-UHFFFAOYSA-N 417.853 1.682 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC3(C)CCC4(CC3)OCCO4)CC2)c1C#N 1313371706 RTQNAQCTCHYVIF-UHFFFAOYSA-N 416.526 1.755 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)C1 1320906174 ZCQBCMANORLYKI-HNNXBMFYSA-N 402.538 1.949 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)cc3Cl)c2)NC(=O)NC1=O 1323581818 FEASPTMQOXPMON-SFHVURJKSA-N 418.862 1.745 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1323676018 WREJHVNAEQKTJV-QZTJIDSGSA-N 420.554 1.354 30 10 HDEE C#CCSCC(=O)N(CCCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1349454883 APKAYQPMUMCSMB-UHFFFAOYSA-N 416.503 1.315 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2ncc3cccnc32)cc1 1355746383 UHHWZIKGJCFGEY-QJOMJCCJSA-N 412.475 1.883 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCN(CC)S(C)(=O)=O 1358943898 ZUVVDIULNZTCRG-UHFFFAOYSA-N 410.931 1.735 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(COC(C)(C)C)on1)[C@@H]1CCS(=O)(=O)C1 1358957665 YAZJZCCIMADVQA-MRXNPFEDSA-N 421.523 1.565 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1359134437 WCNHWAJXLHRVJF-MRXNPFEDSA-N 413.588 1.977 30 10 HDEE CC(C)C(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1359619829 FNFCNLOAUHURSK-GOSISDBHSA-N 423.521 1.646 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1360295741 LKYZJFWKBAHORF-UHFFFAOYSA-N 424.505 1.870 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1360338831 KZVQTDXOBGCZAJ-VQTJNVASSA-N 417.489 1.737 30 10 HDEE Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2c1CCCC2 1441005687 ATMYBXIBZMRWAE-UHFFFAOYSA-N 413.503 1.317 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C(=O)NCC23CCOCC3)cc1B1OC(C)(C)C(C)(C)O1 1455647133 FCYXLNYXHKGWEB-KRWDZBQOSA-N 414.311 1.319 30 10 HDEE COc1ccc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1456224511 STGWZHGFMDBNFG-LIRRHRJNSA-N 406.460 1.063 30 10 HDEE C#CCCCS(=O)(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1463717662 HAFSMVWVHSCUQB-AWEZNQCLSA-N 404.326 1.942 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1468905913 GJJLHLNHJLKOBE-FHLIZLRMSA-N 419.547 1.903 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CC[C@@](O)(CC#N)C1 1469406353 SVEYYZSDAORQNJ-QAPCUYQASA-N 406.464 1.323 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1O)C(=O)OC 1470336583 XXSSCWPXMYFOST-HZPDHXFCSA-N 404.463 1.899 30 10 HDEE COC(=O)c1cc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccn1 1470603276 MLQCJORRVNCWSX-LBPRGKRZSA-N 416.459 1.002 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1472150668 MHQBXRXFFHWOID-UHFFFAOYSA-N 408.476 1.089 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1472486329 MHXRXTYROSLIPC-IAGOWNOFSA-N 420.535 1.287 30 10 HDEE C=CCC1(O)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 1473808140 CBPBZUVBJXOHPF-UHFFFAOYSA-N 421.563 1.619 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)CC1 1475230296 HWWKWDJXBZAMPK-AWEZNQCLSA-N 412.309 1.946 30 10 HDEE C=CCCCS(=O)(=O)N1CCN(c2ncc(I)cn2)CC1 1475558058 DFEGBNCJMFQMCJ-UHFFFAOYSA-N 422.292 1.499 30 10 HDEE COCc1nnc2n1CCN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1478419852 FZQGSRQTNCDKLK-INIZCTEOSA-N 409.450 1.017 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC(C)CC2)CCOC1 1502727430 AAOPMNMKXFDAFR-NQIIRXRSSA-N 418.542 1.391 30 10 HDEE CN(c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1503418944 SFLVVAVTUYSONO-QFPXGYFVSA-N 409.450 1.092 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1nncn1C 1504944895 VZBXLPAPXYZFCP-HNNXBMFYSA-N 410.482 1.687 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507592432 RVZISBHTJIGDAD-WWDZGPRUSA-N 421.567 1.477 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCCn3ccnc32)n1 1507716081 GPGDIYIXEKVHEJ-GOSISDBHSA-N 408.510 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccco2)N2CCCC2)CC1 1507736270 NJIPPZKZMPHIGO-LJQANCHMSA-N 410.522 1.982 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1507750699 CAAJEWSLGHEMOX-KBPBESRZSA-N 400.595 1.488 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCOC)CC1 1507793868 CDRVENFHEFBEKA-MOPGFXCFSA-N 405.543 1.937 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2ccnn2)CC1 1508084248 KJAOHRZNFDNPOT-UHFFFAOYSA-N 421.509 1.074 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1510752279 KNJXGTPCIFDBKW-SJORKVTESA-N 410.478 1.481 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1512538228 CJBXQCGQHFMSPU-ZBFHGGJFSA-N 401.492 1.477 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539001858 LEBSSCMDTGIHLR-HNNXBMFYSA-N 422.493 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539022188 NQIQKAMTEYMZGA-ICSRJNTNSA-N 423.565 1.665 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539044545 CYTLSIYLXYHORF-IRXDYDNUSA-N 412.494 1.969 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1539088959 BYTKMTDQGZUWLY-KRWDZBQOSA-N 409.494 1.643 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1csc(CC)n1 1539094707 TVLNXWUKEIPQKM-ZDUSSCGKSA-N 410.569 1.957 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1539117268 SPHKYIKZHMODOW-ZBFHGGJFSA-N 412.498 1.217 30 10 HDEE CC(C)CC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1F 1539118396 MGWLNNREEDMSRC-IFXJQAMLSA-N 407.467 1.821 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C/C=C\CC)[C@H]1CCS(=O)(=O)C1 1539204113 YWKZXFQATUJITI-IBSYWUHOSA-N 421.567 1.789 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1539230935 MSTWNRCFUSCANN-DLBZAZTESA-N 409.556 1.097 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1nnnn1CC1CC1 1539268251 KVUKUEWUSCIIST-UHFFFAOYSA-N 422.443 1.665 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1539317829 JVKDPFPEYKEFAJ-MOPGFXCFSA-N 412.538 1.049 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)c1ccccc1 1539407595 IGILJEOYGNTZJL-UHFFFAOYSA-N 413.503 1.833 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@@H]1C 1539413545 MOFGIRDWFREJKU-INIZCTEOSA-N 414.510 1.576 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2c(c1)OCO2 1539513920 NLDOHNCAYTYKKF-OAHLLOKOSA-N 413.503 1.961 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1540853711 KLXZBAIHUPNNLK-BEFAXECRSA-N 405.524 1.481 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540897563 MQFZFPYTQKMCSL-IAGOWNOFSA-N 423.583 1.984 30 10 HDEE Cn1cc([C@@H](O)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1545529316 JELKSOXFICZSPL-INIZCTEOSA-N 404.268 1.340 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)F)C1 1554504537 FVFASKPHESFNPW-OAHLLOKOSA-N 424.477 1.847 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1555280566 KOICZQDAULQXGE-MGPUTAFESA-N 416.457 1.415 30 10 HDEE C=CC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(=O)OCC 1556153818 JJMJHNBICRSXBY-ZDUSSCGKSA-N 403.497 1.147 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CC#N)cc2)cc1 1557191308 ONMRDYXVIUKLGP-UHFFFAOYSA-N 414.487 1.696 30 10 HDEE CC(C)OC(=O)CNC(=O)[C@@H](C)SCC#CCN1C(=O)c2ccccc2C1=O 1559425122 MDTKOJZJQKZYIJ-CQSZACIVSA-N 402.472 1.476 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1564635006 AFGCGKPTSFEIRG-AWEZNQCLSA-N 417.890 1.629 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCC(C(N)=O)CC3)C2)C1 1565652820 TVSQZRXVLPODGB-GMAMUYAJSA-N 404.511 1.934 30 10 HDEE Cc1nc(CC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n[nH]1 1565661399 BRBUGCGOZJHZQQ-HNNXBMFYSA-N 403.284 1.827 30 10 HDEE Cc1c(Br)cc(F)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139633 YZTQVQVWLKKIKY-BONVTDFDSA-N 401.257 1.907 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1586898927 MZQHGLZKWWPIMV-VBKZILBWSA-N 406.483 1.130 30 10 HDEE C#CCSCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1586900798 KUIDZYWRUZQWKL-AAEUAGOBSA-N 408.442 1.733 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)cc1 1587713684 KSJQLWIQXDZSOK-HSZRJFAPSA-N 421.453 1.791 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1587909907 XJOXSVASYXBFDD-OAHLLOKOSA-N 403.508 1.571 30 10 HDEE COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1587928182 WNHHPSCYCRRPGL-UHFFFAOYSA-N 412.324 1.503 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588263608 YFBASAWWWACGMX-KRWDZBQOSA-N 408.506 1.929 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCOCC)CC1 1588806581 VVEVJABSEFVEPO-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCC1 1589151187 UCTOHUWYYOYVDF-VQIMIIECSA-N 424.567 1.962 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1589581579 SSXFJOPPFIZGIZ-MKXGPGLRSA-N 419.526 1.452 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1594913817 PMYMBTUQYYURCW-OAHLLOKOSA-N 402.409 1.967 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nccn1C(F)F 1595267438 XCHFCLKRYLMZRC-UHFFFAOYSA-N 409.441 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)C(=O)C1 1595823724 RZYKMNJENITCIW-UHFFFAOYSA-N 421.567 1.423 30 10 HDEE C=C(C)C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OCC 1596595469 JLYLROIGKMLNST-HNNXBMFYSA-N 411.476 1.636 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1598222397 YGPXKDGNKQRANJ-DJPFJPOOSA-N 402.543 1.756 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O 1616734115 BQRUGHSZVQPKPY-UHFFFAOYSA-N 418.471 1.411 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C)C(=O)OC 1617951158 SUHFUKZRCNLKRN-MGPUTAFESA-N 414.499 1.653 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1618161197 KLYUDHCJHVKNIZ-ICFOKQHNSA-N 405.409 1.891 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 1619743580 BJPIWGGMRWLLQX-MOPGFXCFSA-N 424.501 1.819 30 10 HDEE COCCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1620050822 JQOGGWSFYBLBEF-INIZCTEOSA-N 414.466 1.269 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1623599266 MAQNHWLARDVUOC-HNNXBMFYSA-N 403.439 1.016 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CN2Cc3ccccc3OC2=O)[C@H](C#N)C1 1624819399 LMPDSGQDEUZDHC-HUUCEWRRSA-N 400.435 1.876 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CNS(C)(=O)=O)C3)n[nH]2)c1C 1625533220 CMNOOMQZFBKOBQ-OAHLLOKOSA-N 420.539 1.477 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3csc(C4CC4)n3)CC2)cc1 1629485317 LTEVUEWWNQRNOO-UHFFFAOYSA-N 416.528 1.968 30 10 HDEE CN(C[C@H](O)c1ccccc1Br)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1629985816 TZMBTWODVRUTFP-DVEDPGPFSA-N 422.279 1.857 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1630974940 MZTHWTCURVSHSH-YDHLFZDLSA-N 409.508 1.598 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1631261833 NZBUHKFZPBJUAR-SFHVURJKSA-N 410.474 1.947 30 10 HDEE C=CCC[C@H](NC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C)C(=O)OCC 1635698087 HVJIWPDFGKLLIU-INIZCTEOSA-N 405.495 1.617 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)Cc1csc([C@H]3CCS(=O)(=O)C3)n1)C2 1636719574 GYOVJMYZLISJIZ-JTQLQIEISA-N 422.557 1.688 30 10 HDEE C[C@@H](CC(=O)NCCOC1CCSCC1)/N=C1/NS(=O)(=O)c2ccccc21 1636948301 FMMDQUFYIJKYEZ-ZDUSSCGKSA-N 411.549 1.532 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2CN(C)CCN2Cc2ccccc2)n1 1637319563 UZCBYSVVVATUPN-QFIPXVFZSA-N 408.550 1.864 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCOC[C@H]1OCCOC 1638862993 HFPWGEODVUHQSC-QLFBSQMISA-N 406.907 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636905 PLWARWCYNHVZMK-AWEZNQCLSA-N 417.466 1.384 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1641318999 BONCAACOZFSJLH-UHFFFAOYSA-N 414.487 1.846 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](O)[C@@H](CO)C1 1642400412 DVCYWGDPZYSCRE-KBAYOESNSA-N 401.463 1.204 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1643855658 YRDCKXOJEAXQPX-QBPKDAKJSA-N 410.536 1.528 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2[C@@H](CNS2(=O)=O)C1 1644632682 CJNYWVGTEAOSEE-OLZOCXBDSA-N 423.564 1.050 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 1644947699 GYHHVCXVLOFXGT-UHFFFAOYSA-N 412.519 1.373 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1645184492 OILNBPOHLOUQSA-UHFFFAOYSA-N 410.568 1.513 30 10 HDEE CN(C)CCCN(C)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1645219580 VHBBGRHEUHYSCN-DKTYTTGXSA-N 421.586 1.773 30 10 HDEE COc1ccc(C)cc1-n1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1648787175 IWEUPMUVRZVFAS-UHFFFAOYSA-N 406.402 1.020 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1649540848 ZLKHWJYVCMFHNC-OAHLLOKOSA-N 412.519 1.809 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)c([N+](=O)[O-])c1 1650442921 NKUCEIQFGKAMSU-UHFFFAOYSA-N 413.459 1.861 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1651973865 ZPRYTYJZMHGKBQ-UHFFFAOYSA-N 415.556 1.566 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CCO 1652285714 BWLNSDUTHKNVEE-GJZGRUSLSA-N 404.529 1.244 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H](c4ncccn4)C3)C2=O)cc1 1652591584 XQKGLUMQWNQQPL-WBVHZDCISA-N 404.430 1.569 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2C(=O)OC)cc1 1652656206 COAVQHJUQWWNSJ-UHFFFAOYSA-N 402.472 1.910 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1655293927 YTXCWZWBQHAMNK-FTRWYGJKSA-N 420.535 1.109 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)cc1 1663997107 RQLRMKBOSLZDSX-UHFFFAOYSA-N 422.528 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 1665761995 FBBREDAFOZICEJ-KRWDZBQOSA-N 415.899 1.862 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1671028204 XWJZAACMWMKXHE-DHSIGJKJSA-N 408.911 1.498 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680778706 KLRQGXJOUXIUHO-OAHLLOKOSA-N 420.395 1.911 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@H]3CCN(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1683770860 ZVDKMKHEYRLOOH-VCBZYWHSSA-N 422.938 1.746 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689986713 VQLWNFXJPDHOCE-KXBFYZLASA-N 403.508 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cncn1 1689998125 BZHMNBZRQUUVDF-UHFFFAOYSA-N 402.462 1.512 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689998526 ONYULPXHYGLRNO-FCEWJHQRSA-N 410.540 1.163 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](CC)OC)CC1 1690117653 QHJQYGPKKIJFEL-LJQANCHMSA-N 421.509 1.101 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-n3ccnc3)c(F)c2)CC1 1690138276 XOHKYYDMIRYQNK-UHFFFAOYSA-N 421.480 1.925 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1690173095 VZNGHVQPVWQECH-KRWDZBQOSA-N 413.551 1.655 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1690301090 ORFXATJMZYCDOH-SFHVURJKSA-N 404.559 1.702 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690670974 MROKXLHLCILDQG-SJORKVTESA-N 418.542 1.707 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1690733788 NFCAAGGVABFIJM-UHFFFAOYSA-N 402.524 1.999 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCOC1 1696630822 JDTIYOYEGVHCCP-INIZCTEOSA-N 406.450 1.195 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705494309 YCARCMLUPHJNRL-MWDXBVQZSA-N 402.543 1.575 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1705546130 BKNNBMPEFDZCTH-IBGZPJMESA-N 410.540 1.213 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1705644332 NAAIDHFIOXYAFY-MRXNPFEDSA-N 421.567 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCO2)CC1 1705647588 HHIKEBXXMBJJSI-MSOLQXFVSA-N 401.511 1.665 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705733751 XZUSRXBCVCUSCL-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705810909 LCYSFSGAQILYBV-VKJFTORMSA-N 413.544 1.239 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1705830484 QUMIBIRBHPYJII-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705903009 OLIZNWZOKNZNBB-UHFFFAOYSA-N 413.526 1.857 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)C1 1706938567 NYVBVEBRSCNGOC-BEFAXECRSA-N 416.432 1.943 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCSCCCO)cc1 1712880477 ACPIUDHDXBVROY-UHFFFAOYSA-N 421.548 1.167 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1722285457 UMMFLRBEJXGBJC-HNNXBMFYSA-N 401.492 1.336 30 10 HDEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C(=O)NC)C1 1722336971 SGZOLZHGNMRGJH-IBGZPJMESA-N 420.473 1.965 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC)C1 1722338463 PYFYGXQIPNWHEZ-OAHLLOKOSA-N 403.508 1.535 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCOC)cc1 1722369895 CBYWGDOOEMTRPN-UHFFFAOYSA-N 421.501 1.660 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1722408031 WEYMYBPDCPQPDK-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nnc(C)s2)CC1 1722434444 RUKJVVVHSNSWTD-UHFFFAOYSA-N 409.519 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCc2nnc(C)s2)CC1 1722437079 PHSGEMKBJZYWCK-KRWDZBQOSA-N 415.567 1.720 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCNC(=O)C(C)C)CC1 1722439175 RLVRMTSXYQZQOK-UHFFFAOYSA-N 408.550 1.705 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)N(C)C)CC1 1722442263 RCRGTIDMMYLZOA-UHFFFAOYSA-N 410.522 1.263 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1722529154 POMMEIJPEHLCIN-LSDHHAIUSA-N 401.533 1.096 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722870209 QQISAUFSTIQJJC-GOEBONIOSA-N 422.580 1.808 30 10 HDEE Cc1ccccc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1724720181 CTUZQBFIBWORBN-ROUUACIJSA-N 415.519 1.460 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCO[C@H]2CCOC2)n1 1725931496 VWSCBRGWOCBJFV-QAPCUYQASA-N 401.515 1.931 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(O)CCCCC1 1727606952 GEIQZVVTDKXIHK-MRXNPFEDSA-N 410.526 1.912 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)(C)C)CCO1 1729678632 FNLUAGOVMLDRPB-QGZVFWFLSA-N 412.494 1.583 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccncc1Cl 1730876760 PYGJALOJJCWOCA-UKRRQHHQSA-N 406.874 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1740532533 HVMOQRVOSZHCBO-HOTGVXAUSA-N 410.588 1.468 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1740656493 KGFACUPGISCCAJ-SJORKVTESA-N 419.551 1.120 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC2CC2)CC1 1740694018 VORLBOYYLGPFCI-UHFFFAOYSA-N 412.925 1.880 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](CC)OC)CC1 1740705472 HUCNBNAJQHMICN-ROUUACIJSA-N 403.527 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccsc2)CC1 1740706710 ZYQYEZIUAWMQPQ-MRXNPFEDSA-N 412.519 1.305 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1740794040 ZDMMUAJTNPWMPN-UHFFFAOYSA-N 406.575 1.718 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1740954415 LRILYOJRRSEJMG-YWZLYKJASA-N 401.467 1.533 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](COC)C1 1740989146 BEJBVNOCMQPBIL-QGZVFWFLSA-N 406.508 1.398 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1741002504 JEKNRFHNOJBEPN-HUUCEWRRSA-N 414.597 1.961 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1746441383 OUQPIJIBUPFCIN-HLIPFELVSA-N 405.522 1.598 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1746674406 FXDCZRPRQFATIF-GDJIYFAZSA-N 407.540 1.581 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1747345401 HFQHCCMLEFGPRP-UHFFFAOYSA-N 422.493 1.787 30 10 HDEE COc1cc(F)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1748561770 FPLQKGQGZPOKEA-STQMWFEESA-N 424.502 1.680 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@H]1CCOC1 1748638199 KRGQYFLFOMITCQ-IAGOWNOFSA-N 412.494 1.827 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1748790536 IXIUAXHHGPIXLU-CYBMUJFWSA-N 407.462 1.134 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1748817741 POTRCUPRQHTSBQ-ZWKOTPCHSA-N 420.579 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748962259 DBDYFEINHPJBQK-CZIZESTLSA-N 412.494 1.548 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@H]2CCOC2)CC1 1749303715 NSDVDAFBUYRDGS-MSOLQXFVSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1749488826 NICMVLPGEKSWLO-CYBMUJFWSA-N 401.558 1.129 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCS(=O)CC1 1749678110 WHFPVUNJPGOEAU-UHFFFAOYSA-N 417.535 1.345 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1750068859 GMJYSXWONCGMGT-NCOADZHNSA-N 403.531 1.324 30 10 HDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1760148136 PREJZSWCBIZLHP-UHFFFAOYSA-N 413.478 1.663 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(C)CN(C)C1=O 1760179837 ZVOALPABLMKTHF-ZSDSOXJFSA-N 416.526 1.597 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1760187465 JVKKWEUTCYHRJM-GOSISDBHSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1760187478 JWRSQTLOPUDGIP-ZWOKBUDYSA-N 424.567 1.698 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189054 NBJXEKOHBFDYIY-QGZVFWFLSA-N 417.535 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC(=O)N1 1760201623 GQIUFNDRCKLDMI-QGZVFWFLSA-N 400.442 1.952 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1760206097 QWRHFPUIDIEIAP-HNNXBMFYSA-N 403.533 1.375 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CC)C1 1760281098 XMACUBLKJYMRCB-CQSZACIVSA-N 403.508 1.987 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760431210 HWYPQORLBFGMNY-CQSZACIVSA-N 406.512 1.761 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760441539 MGUMEZGUFBYEEE-UHFFFAOYSA-N 406.494 1.817 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1760453729 GOHNINWVWRJSLW-ZDUSSCGKSA-N 404.437 1.302 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1760467349 HUDPJMNEYAPGQE-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1760538506 ZKOIOVNURSJZIU-INIZCTEOSA-N 416.432 1.979 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1760691863 TYGVEMHKKXYLKJ-HUUCEWRRSA-N 415.498 1.322 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)CCOC1 1761291909 QDRZCWRBLHWBHN-RDTXWAMCSA-N 415.441 1.329 30 10 HDEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768520262 KXDTYSAATQTBRB-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE CNC(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769326243 UPKHYVGFTQRKPB-UHFFFAOYSA-N 403.446 1.616 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1771368226 BYTRRZWWWBVVRV-JMQGSBJISA-N 404.540 1.555 30 10 HDEE CN(C)c1ncc(C(=O)N2CCN(CCC#N)CC2)cc1I 1850528827 MSWXFSRQNLCVDL-UHFFFAOYSA-N 413.263 1.424 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CCC#N)CC1 1850877156 GXVOKEFSSPQCOL-QGZVFWFLSA-N 410.515 1.577 30 10 HDEE Cc1nc2ccccn2c1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851452943 UKLLTGHDFVMOEF-UHFFFAOYSA-N 400.446 1.785 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccccc4)n3[nH]2)CC1=O 1852330487 IIIBVDXDKFFZPF-CABCVRRESA-N 406.446 1.659 30 10 HDEE C=CCN1C[C@H](C(=O)OC[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1852582632 AHJVGQLCMCZEGB-IAGOWNOFSA-N 406.504 1.665 30 10 HDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854032219 ISJUJKJFJZIEAO-UHFFFAOYSA-N 413.455 1.305 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CCC(=O)N(C(=O)C4CC4)C3)CC2)CC1 1854366486 JEYUBVXZBLTAQE-KRWDZBQOSA-N 400.523 1.636 30 10 HDEE Cc1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)cc1C#N 1854396671 HKTPXHHZHATKJF-KRWDZBQOSA-N 414.439 1.963 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3ccc4c(c3)OCO4)C(=O)C2)C1 1854956429 MUQNHOMQGHRGGF-FUHWJXTLSA-N 412.490 1.395 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1855603533 GTLKQSQEPGIPGG-HZPDHXFCSA-N 402.520 1.697 30 10 HDEE COc1c2ccc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)cc2nn1C 1856549451 YVOASTKZTWZJDJ-QAPCUYQASA-N 407.474 1.949 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCCO4)nn2C)C1=O 1856552784 KLSNQEOYNOJJJR-MRXNPFEDSA-N 409.446 1.445 30 10 HDEE CC(C)n1cc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cn1 1857068473 KIVKOFQMYJQEJZ-GOSISDBHSA-N 407.478 1.294 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC(S(C)(=O)=O)CC3)CC2=O)cc1C#N 1857222418 MPAUHXJUXVDSSS-HNNXBMFYSA-N 403.504 1.364 30 10 HDEE CN1CC2(CCN(C[C@H]3CCC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)CC1=O 1857223362 HELSVGDLMCJLAA-GOSISDBHSA-N 408.502 1.881 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCN(C(=O)Cc4cccs4)CC3)C2=O)cc1 1857414443 VRZVMYIJKMVYDN-IBGZPJMESA-N 422.510 1.748 30 10 HDEE C=CCn1cc(O[C@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c(=O)cc1C(=O)O 1857890236 NEWPYSGWLZBIPR-GFCCVEGCSA-N 412.398 1.738 30 10 HDEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCCN2CCOCC2)C1=O 1863718929 QQWKWRQWKLBFGF-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE CC[C@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN(CC)CC 1869933705 MVYCJIGYMKAKEV-MAUKXSAKSA-N 408.568 1.988 30 10 HDEE C#CCOc1cn(CCCN(C)C)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561829 FLIIZOPYOIQUJH-UHFFFAOYSA-N 404.511 1.086 30 10 HDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870568262 WHKCXWGRLFHRHQ-UHFFFAOYSA-N 410.518 1.477 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nnc(C)s2)c(=O)cc1CN(CC)CCO 1870570430 CSCQYERMOOSUOR-UHFFFAOYSA-N 407.496 1.026 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc(OC)c2)c(=O)cc1CN1CCOCC1 1870652384 VOSPTMILKCZKAF-UHFFFAOYSA-N 413.474 1.893 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882717252 QRNQAJWDIIRKOJ-ONGXEEELSA-N 403.526 1.857 30 10 HDEE CN(C)CC#CC1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1889677330 UNVPQJCUVWVOGO-KRWDZBQOSA-N 414.575 1.963 30 10 HDEE C[C@@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)n1nc(-c2cccs2)ccc1=O 1891743173 VTVPNVFRLVGXGB-ZDUSSCGKSA-N 421.486 1.542 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)c1 1891929400 KKNUWOBVFGHTEY-JKSUJKDBSA-N 411.487 1.549 30 10 HDEE CC#CCN(CC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1900624218 IFJSYMRIXKUAPW-HSZRJFAPSA-N 415.534 2.000 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1982281989 SDFUHAQYJOHIOT-CQSZACIVSA-N 413.334 1.840 30 10 HDEE C=C(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 1991970024 UXCURHHIHJGESP-CYBMUJFWSA-N 412.292 1.747 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)[C@H]1OC 1994690655 ICEBIVQSYFLILQ-RDBSUJKOSA-N 414.308 1.383 30 10 HDEE C[C@@H](C(=O)C=C1N(C)c2ccccc2C1(C)C)n1cnc2c1c(=O)n(C)c(=O)n2C 2040489534 DHSPHFKVPCZFPY-ZDUSSCGKSA-N 407.474 1.875 30 10 HDEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(C#N)s2)C1 2118163122 OOFRSBOIQZADIY-NEPJUHHUSA-N 401.510 1.922 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)nc1)NC(=O)OC(C)(C)C 2118168655 UADAGVFVVOGBMP-NDHGSNPTSA-N 402.498 1.653 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2118170695 RZIFXMZJWZAQJM-UXGGDIESSA-N 406.530 1.089 30 10 HDEE C#CCC[C@H](NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811266 XZKSLGNGNKOIRK-WWMYMODYSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)O 2151777381 YXUNNPJTAVQHBR-CYBMUJFWSA-N 401.416 1.344 30 10 HDEE CN([C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174785432 YXYYDLPXDOQFSN-NWDGAFQWSA-N 414.450 1.854 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(F)(F)F)N(S(=O)(=O)N2CC(C#N)C2)CC1 2174790174 ZPOGCCIWGQJSEU-GFCCVEGCSA-N 412.434 1.560 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S(=O)(=O)CC12CC(C#N)(CO1)C2 2195258839 GQLPAZANTJMPJA-LBWKMTJJSA-N 402.469 1.230 30 10 HDEE C=CC[C@@](C)(CO)CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2201838056 YEORWVDYHCZCIG-KBXCAEBGSA-N 404.529 1.102 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)NCS(C)(=O)=O)s1 2237647070 QNEGXOMOMRLIIB-UHFFFAOYSA-N 402.347 1.499 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2243108940 UCVDAJODKFNQJN-GFCCVEGCSA-N 411.283 1.817 30 10 HDEE Cn1ncc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1B1OC(C)(C)C(C)(C)O1 2247916042 ORRMFURUEURFCJ-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270502640 XQQIXQIYDFAZTP-SFHVURJKSA-N 422.503 1.520 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N(CCCN(C)C)CCNC(=O)OC(C)(C)C 2280550316 JBHGTLABUAZIGY-INIZCTEOSA-N 404.577 1.890 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)c2Cl)OC1(C)C 2281945511 MMXAWZJFMDSFBX-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE Cc1cc(S(=O)(=O)NCCC[S@@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282317044 LQMOZIBWTQHWKR-RUZDIDTESA-N 401.359 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CN[C@H](C)C1 2282322408 LRPKXLGPUNBYFD-YPMHNXCESA-N 400.375 1.632 30 10 HDEE CCCN(C)C1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338445 NHNKCZMHDIYQAV-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](O)CC(F)(F)F)c2)OC1(C)C 2282352615 PNQFFGBILNSPFS-SNVBAGLBSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@H](N)C3)ccc2Cl)OC1(C)C 2282490109 HFQXSRYBVMEKFU-HAQNSBGRSA-N 400.737 1.655 30 10 HDEE CCN([C@H]1CCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507470 IBGYASHLIHDNLB-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)NC[C@H]1C 2282834268 RFYBCDDDNFNKAI-VXGBXAGGSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282847446 ZCWBGFJPTPPPFD-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CN([C@@H]1CCCCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282864529 HFCQSTBTJRRKNQ-CQSZACIVSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C2CC(O)C2)c1B1OC(C)(C)C(C)(C)O1 2282870584 UYJJBPBWFSXUSS-UHFFFAOYSA-N 401.359 1.808 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@]2(C)CCC[C@@H]2O)OC1(C)C 2282871906 NLEPBDKJKDVJCL-SUMWQHHRSA-N 401.359 1.770 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H](C(=O)O)C3COC3)c2Cl)OC1(C)C 2284392295 VKPCDEMSTCFSPT-NSHDSACASA-N 401.677 1.530 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284394651 AVIVUNJALUXNQD-JTQLQIEISA-N 403.693 1.781 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2365206756 IRTNJODUKPYGER-CABCVRRESA-N 404.573 1.798 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367806489 KYKNIOHGSOWURV-NRTGNBEESA-N 400.541 1.291 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(C)(NC(=O)OC(C)(C)C)C1 2367820541 RMDQUNJSGRDVAH-STJZUHDESA-N 400.541 1.353 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2367823116 HBSNALITBBTWEN-RKVPGOIHSA-N 400.541 1.306 30 10 HDEE Cn1nc(Br)nc1[C@@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2382077465 GHJRHCBZASWQAV-QWRGUYRKSA-N 400.074 1.753 30 10 HDEE Cc1nc(N/C(N)=N/C(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)nc2ccccc12 6188529 RXRJTYOKXBFRRR-HUUCEWRRSA-N 408.462 1.757 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccnc(N4CCN(C)CC4)c3)cc2C1=O 56792607 AFLORXBMTBBPEN-UHFFFAOYSA-N 419.485 1.545 30 10 HDEE COc1cccc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72445466 ZOSJJWZVAMVIKR-DZGCQCFKSA-N 409.446 1.944 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)ccc1F 97549573 RPAJSVQWHJVCFQ-UHFFFAOYSA-N 422.526 1.700 30 10 HDEE C=C(CNC)Cn1cnc(I)c1I 379366936 LKWWSYOIWFDWFB-UHFFFAOYSA-N 403.005 1.868 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)Nc3ccc4c(c3)CN(CC(N)=O)CC4)n2)c1 409997486 MWQARIULYWYDHU-UHFFFAOYSA-N 400.442 1.840 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 430271455 XVMUQUMYGYRPTM-VQTJNVASSA-N 421.519 1.266 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 434389236 HFWMPGGLBCGVAV-DZGCQCFKSA-N 419.425 1.572 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 434777323 PIYYYCUDIMIGCB-UKRRQHHQSA-N 406.426 1.926 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 439755729 JKSQUDQNKSIBAG-UHFFFAOYSA-N 421.432 1.721 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2ccc(C#N)cc2Cl)CC1 444778086 SFFORFUJDIOUEB-CQSZACIVSA-N 403.914 1.459 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCC 447779859 NWXRZVOIGBPYOJ-UHFFFAOYSA-N 421.526 1.535 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 473312640 CTKQQIAWOJDRNC-IBGZPJMESA-N 404.470 1.945 30 10 HDEE C=CCNc1nnc(S(=O)(=O)CC(=O)N(CC(C)C)CC(F)(F)F)s1 479017568 ASOAFPKUGCVYNQ-UHFFFAOYSA-N 400.448 1.957 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)N2CCSCC2)ccc1F 488724455 JZNVFLXIFOPCRY-AWEZNQCLSA-N 401.510 1.336 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 505817602 JJFQGPRKDIJDPO-UHFFFAOYSA-N 401.488 1.750 30 10 HDEE COCCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 513124070 OQWICDZPLJNJRS-UHFFFAOYSA-N 423.473 1.266 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(SC)cc2)c(=O)n1C[C@@H]1CCCO1 514309335 CZFGSHABGHQMKM-AWEZNQCLSA-N 415.540 1.060 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc(=O)n(CCN(C)C)c1 533780471 GKXOMTDLAFXYAZ-UHFFFAOYSA-N 407.478 1.512 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2cnc3c(cnn3C)c2OC)cc(OC)c1OC 543282464 AOBILQOSBDYSRK-CQSZACIVSA-N 411.418 1.997 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 545362504 UKAXXGDMTUEAID-UHFFFAOYSA-N 413.503 1.143 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3SCC(N)=O)CC2)n1 545505028 LRDFXWMSXKIQLL-UHFFFAOYSA-N 410.503 1.291 30 10 HDEE CCOC(=O)c1ccc(N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)nc1 546092243 CZBXSRNLJICXIX-UHFFFAOYSA-N 406.508 1.794 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 549522542 UFVALKQWIKIFFR-ICSRJNTNSA-N 420.579 1.984 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)c1 559199421 CLYVUOVFHHGUKL-KZNAEPCWSA-N 404.492 1.496 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCN(S(=O)(=O)N(C)C)CC2)c1 568568414 AUPXZTCZWZOPCZ-UHFFFAOYSA-N 421.567 1.364 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C#N)cc2)CC3)CC1 570945177 RUFTYWSUBSQPSL-KRWDZBQOSA-N 406.490 1.135 30 10 HDEE N#Cc1csc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)n1 584441845 IBLKGSYIJSJMFH-UHFFFAOYSA-N 402.423 1.939 30 10 HDEE CN(C)CC1CCC(NC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 586871291 ZXYHBJSPTDBHDK-UHFFFAOYSA-N 412.538 1.275 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C 603800807 VRJCBXQMTXPWGA-UHFFFAOYSA-N 423.494 1.456 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3C[C@H](C)O[C@H](C)C3)c2)C1=O 606210998 ZLKWKCCJPIHQRK-GASCZTMLSA-N 414.462 1.211 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)CCN1CCO 614628907 KIKWDJBDXJKFNS-HNNXBMFYSA-N 409.446 1.209 30 10 HDEE CC1(C)OB(c2ccc(I)c(S(N)(=O)=O)c2)OC1(C)C 694939745 CMUGTFGFHLDPKP-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cc3c(cc2OCC)C[C@H](C)O3)CC1 728536178 NFHLMVMAFYQWIG-TUYSUELWSA-N 411.502 1.316 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc3ncccc3c2)c1C)[C@@H]1CCS(=O)(=O)C1 731340640 VHDNLDVAAZZFDJ-QGZVFWFLSA-N 409.471 1.386 30 10 HDEE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732649626 LXMZKHSOUZNZNF-CQSZACIVSA-N 404.423 1.441 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732651727 GPZJDZHJVGUCMC-LJQANCHMSA-N 416.547 1.920 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CCN1C1CC1 732664238 FWTRBYSPVUFKFQ-VQIMIIECSA-N 406.490 1.614 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c3ncccc23)CCN1C1CC1 732706222 LFAPGDIXIIUIJI-ZDUSSCGKSA-N 415.400 1.973 30 10 HDEE CCc1nc([C@@H]2CCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 737881023 BVINIBOPIZIPAN-AWEZNQCLSA-N 417.491 1.814 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746195796 DREKQAGWLUIMFS-ZJYNUGOYSA-N 414.487 1.752 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CCC(=O)OCC)CC2)c1 749084117 NRNDXKUKVCQUSY-UHFFFAOYSA-N 406.504 1.794 30 10 HDEE CC1(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCOCC1 758068720 SAHHQWOETVOPGI-UHFFFAOYSA-N 412.468 1.830 30 10 HDEE COc1ccc2c(c1)C=C(S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 758456387 BNNIHXJOGVHNAO-HNENSFHCSA-N 403.460 1.428 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 758750173 DXLKHCSMORTAES-HOCLYGCPSA-N 416.482 1.090 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CC(c2nc3ccccc3s2)C1 763501400 LLSABHRFZVKTCG-UHFFFAOYSA-N 412.496 1.961 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@@H]1CCCO1 767953423 QNLVWHKZGPXZIO-INIZCTEOSA-N 413.499 1.104 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cn1 772277998 JGMSQJIBBVIDNO-UHFFFAOYSA-N 417.494 1.286 30 10 HDEE COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC(=O)N2C2CC2)c1 776318613 CGKIBXCANFPYPH-KAGYGMCKSA-N 408.502 1.946 30 10 HDEE COC(=O)C1CCN(C(=O)[C@H](OC(=O)[C@H](O)c2ccc(C#N)cc2)C(C)C)CC1 780213969 JVMPSWVBOKPARE-QZTJIDSGSA-N 402.447 1.571 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1 784695795 RINYMPLJMPILIP-AWEZNQCLSA-N 401.492 1.530 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786689777 XVUUVQVCVDNFLP-MRXNPFEDSA-N 423.560 1.806 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cc(C(=O)OC)c3ccccc32)n1 788814478 FVNPRNBHFMDAAX-UHFFFAOYSA-N 408.458 1.933 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 790687682 VTBPXINVOHQHPP-HTAPYJJXSA-N 411.458 1.786 30 10 HDEE N#C[C@@H](C(=O)CN1CCN(CC(F)(F)F)C(=O)C1)c1nc(O)c2ccccc2n1 796560563 DVVSCMDQSODXAE-LBPRGKRZSA-N 407.352 1.218 30 10 HDEE CCCCCCCS(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 799816508 BOYSATLRPPXOEL-UHFFFAOYSA-N 403.570 1.756 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)c(F)c1 804625851 HCORFWRUAABCHQ-MRCUWXFGSA-N 412.421 1.984 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 806305148 HITWJXZGLHIEIC-UHFFFAOYSA-N 416.499 1.359 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCCCOC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 806624047 CFRBFPKZZRMKIT-INIZCTEOSA-N 410.492 1.765 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)c2cnn(C)c2C)CCCN1C(=O)OC(C)(C)C 813952328 GBMFBGRTFZHPOD-GOSISDBHSA-N 412.512 1.879 30 10 HDEE N#C[C@H](C1=CC=CCN1)[C@H]1C=CN[C@H](N2CCN(Cc3ccc(F)c(F)c3)CC2)N1 1082164195 GTYJZDRYBGPXSI-YHYVQYDKSA-N 412.488 1.624 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCC3CS(=O)(=O)C3)CC2)c1 1116740905 ICPYZLLHLLTDQG-UHFFFAOYSA-N 404.492 1.353 30 10 HDEE CCC(C#N)(CC)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1124979403 KYGNLLRNFFZGLO-UHFFFAOYSA-N 408.480 1.977 30 10 HDEE Cc1cc(C#N)cc(N(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)C2CC2)n1 1130965054 OCZUXLRHAFRCGO-UHFFFAOYSA-N 415.453 1.829 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1132695431 VCWRLTBEWNEIRL-CQSZACIVSA-N 415.562 1.963 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccccc1 1134861978 LTGIGGBAYLQECL-DFNUDTICSA-N 402.472 1.777 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@]4(CCOC4=O)C3)CC2)cc1 1135253734 AKOAYMDBCRUUID-FQEVSTJZSA-N 417.487 1.125 30 10 HDEE C#CC[C@@H](NC(=O)CSCc1nc(O)c2c3c(sc2n1)CCC3)C(=O)OC 1141995145 JKCVBBWCMVBILN-LLVKDONJSA-N 405.501 1.800 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1146248284 XCQZSBZRXAUGBO-UHFFFAOYSA-N 422.503 1.125 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@H](O)CS(C)(=O)=O)cc1C 1157836512 PYRQLNLJAWSGNK-MRXNPFEDSA-N 404.492 1.216 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 1163162075 CDNGRAFZEJYWHP-QGZVFWFLSA-N 407.473 1.745 30 10 HDEE CC(C)(C)OC(=O)c1ccnc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 1167238019 CYQZOOZJXBELOQ-UHFFFAOYSA-N 416.459 1.714 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)CN(C)CCc2cccc(C#N)c2)ccc1C 1175530356 CHUJTQVRWGQBNJ-UHFFFAOYSA-N 400.504 1.888 30 10 HDEE O=C(CN1C(=O)COc2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1184272101 AVPCGPOUQZGEMV-UHFFFAOYSA-N 409.398 1.316 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](C(F)(F)F)CC3)CC2)o1 1197480907 GEUISBRUUOIOCK-AWEZNQCLSA-N 401.389 1.157 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)OC 1211664807 XONSAGODEOHGBB-CYBMUJFWSA-N 403.254 1.343 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1)[C@@H]1CCS(=O)(=O)C1 1219955550 CEOIOTOMVXRYMB-WOJBJXKFSA-N 416.547 1.625 30 10 HDEE C=CC[C@H]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1221902690 GTVSKUCLGZINHT-KRWDZBQOSA-N 406.552 1.730 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1230859348 WXVGYYDLRLIRDR-IBGZPJMESA-N 400.571 1.657 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N(CCC)CCC)CC1)C1CCOCC1 1231331313 JMOQUPJUPHYELL-SFHVURJKSA-N 414.572 1.109 30 10 HDEE C[C@@H]1CCC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1253205567 JYTZWQYJPVPETB-NVXWUHKLSA-N 406.508 1.532 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCC[C@H](CC#N)C3)CC2=O)C1 1256122005 BOWPCRHWIUGINZ-CABCVRRESA-N 405.499 1.542 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1ccc(F)c(S(=O)(=O)N3CCOCC3)c1)C2 1277425526 ZFDWXZTZAXEFST-UHFFFAOYSA-N 415.446 1.874 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286335658 SADCJBOLEXPSEH-OXJNMPFZSA-N 403.483 1.375 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286347239 IVQXZPXFUXFWBE-INIZCTEOSA-N 419.551 1.580 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286393020 DHEOYSIUBNKGMM-YESZJQIVSA-N 419.551 1.244 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(OC)CC1 1286420706 SMOMUWHXJYEUEM-WWDZGPRUSA-N 421.567 1.556 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccc(C(N)=O)c2)CC1 1286490258 JCSRGHPQVMDTCE-UHFFFAOYSA-N 406.490 1.269 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1286506930 QVCXKPIUUDSFIF-INIZCTEOSA-N 421.567 1.270 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286510373 QQNSWTOWVKUKID-HNNXBMFYSA-N 400.570 1.585 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1286683183 LHRFHGOUISBPNQ-DLBZAZTESA-N 410.588 1.919 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1286713996 JUXYMAYMMRZNBA-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@@H](COC)C1 1286780764 QEWLGHIFQHCPIP-RTBURBONSA-N 413.522 1.974 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1294181129 VEMJSZVLIFKNII-UHFFFAOYSA-N 407.379 1.663 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1300320071 DTLAMGIHFVYSAH-SFHVURJKSA-N 422.533 1.743 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1300400853 QFDMTBQTTBMEPW-JBYIUTFZSA-N 415.490 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CN(C)C 1300521294 VBZVAFBWKZSIKS-UHFFFAOYSA-N 417.521 1.581 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC 1300596918 ZHLHISPDXVQBBM-IAGOWNOFSA-N 421.567 1.209 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1300707441 FYKWSVFSYXTOEY-SFHVURJKSA-N 407.522 1.434 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300843909 KZHRHORYYCPSIM-OLZOCXBDSA-N 419.345 1.704 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1300894620 FTSDYCTWSDDELO-XDNAFOTISA-N 424.567 1.552 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1301036984 OPBCFYHQXDEAEH-HRCADAONSA-N 408.934 1.529 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1301037272 SBRHAJUZMGQDBD-HNNXBMFYSA-N 424.933 1.351 30 10 HDEE C=C(Cl)Cn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1301044179 GHDPOVVWZWPBRA-CQSZACIVSA-N 403.936 1.224 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1301297935 WIIZPBDKOPQCTD-AWEZNQCLSA-N 403.574 1.376 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1301490807 FAKJLQHFYDPINN-CKJXQJPGSA-N 414.510 1.359 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1302026521 GPSZCNSWCXYEME-YAJHFMINSA-N 423.489 1.782 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1302100235 XIKIIJCNCLZIPG-HUUCEWRRSA-N 420.445 1.344 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1302209273 SWMVFXWWLCTTIK-UHFFFAOYSA-N 424.505 1.681 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1303411493 PUAJIKHXDZNZMD-HNNXBMFYSA-N 415.473 1.398 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1304935507 SPNQMNOTZVIZIT-APOCOGJHSA-N 418.494 1.905 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1CCC[C@H](O)C1 1306193313 FTFPRCBIQPGFRV-IRXDYDNUSA-N 412.542 1.632 30 10 HDEE C=C[C@H](CC)CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1355871911 XVMAPTZDTGHUKU-HIFRSBDPSA-N 400.522 1.693 30 10 HDEE CN(C(=O)CSCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C1CCCCC1 1357272508 IDNGYWCJVXZHAE-UHFFFAOYSA-N 420.539 1.581 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(C)C)N1CCOCC1 1358991086 NHMQUDDTQRNFSU-FQEVSTJZSA-N 409.538 1.498 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1359009935 CBBQAZLSZBPGKM-KRWDZBQOSA-N 421.567 1.432 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2cccn2)CC1 1359037332 FRWOFTGTILOAAN-UHFFFAOYSA-N 410.551 1.676 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccn2)CC1 1359048565 VIRUNFBCGHBXIG-UHFFFAOYSA-N 413.551 1.504 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCC1 1359064570 VXHPSLWZESNJOP-MAUKXSAKSA-N 408.572 1.365 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(N)=O)c1 1359069997 CPAMCPDOBRTEBT-HTAPYJJXSA-N 409.490 1.687 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN1CCOC1=O 1359073467 QZCUJULREMPAEL-OAQYLSRUSA-N 411.510 1.974 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCCC2=O)CC1 1359165540 RFHCTOIFYKWVGQ-KRWDZBQOSA-N 421.567 1.739 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359226541 HQRLPMYPEOTODG-OAHLLOKOSA-N 400.483 1.031 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](CC)C1 1359286653 IMCDXBXWRHRMFY-OAHLLOKOSA-N 402.499 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CCC2)C1 1359319233 VONZBBZLMIXDCH-OAHLLOKOSA-N 418.523 1.484 30 10 HDEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1360097974 FWXBAYGSPVIKON-UHFFFAOYSA-N 416.551 1.782 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1 1437444874 SIGUZOMYCAYMTP-HNNXBMFYSA-N 409.504 1.909 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNC(=O)c1cc(F)ccc1Br 1438599962 DMZAVUUGNGARFH-UHFFFAOYSA-N 414.231 1.623 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cnn4c3CCCC4)CC2)cc1 1441015625 ZDFGALAOSYJINN-UHFFFAOYSA-N 413.503 1.167 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1cccc(C#N)c1 1442178578 FADPCRBKHWAMJE-UHFFFAOYSA-N 406.851 1.252 30 10 HDEE COCC#CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1446247352 RLFVLPJHZBCYDY-SJORKVTESA-N 407.511 1.391 30 10 HDEE Cc1nc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)n[nH]1 1452716855 GIMPMFZNXIGCTM-AWEZNQCLSA-N 413.869 1.340 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1S(=O)(=O)NCC#N 1455918300 PBLQPIBMJBRGOI-MZRZTIOWSA-N 421.519 1.499 30 10 HDEE COc1ccc(C(=O)CCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1456214445 KKCQDQOGFLZYKF-JXFKEZNVSA-N 404.488 1.835 30 10 HDEE COc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1456614943 WLNSDNOQZUGSAR-KSFYIVLOSA-N 424.478 1.937 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1464021022 YGNPCWQESHYGKM-CYBMUJFWSA-N 407.312 1.993 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCCS2(=O)=O)cc1 1464265998 FLRIJDSUFRHCKN-ZMEGLIOTSA-N 413.521 1.405 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1467451126 GJKGQSQOSBDRJK-HRAATJIYSA-N 407.511 1.437 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)o1)S(C)(=O)=O 1471080754 DLNWIHJILPLOEJ-SFHVURJKSA-N 403.464 1.442 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)CCN2CC3(CCOCC3)C2)c1 1471316619 HNQHNEADRUYPAI-UHFFFAOYSA-N 407.536 1.335 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(S(=O)(=O)N(C)C)s1 1473279007 PTZXEDPQAUVGFR-CYBMUJFWSA-N 406.537 1.371 30 10 HDEE COC(=O)[C@@H](c1cccc(C#N)c1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1473503219 FGAGOQGXQZCSMH-LJQANCHMSA-N 416.503 1.488 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCCc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 1476234667 FZUWMIBGRBPOSK-IYBDPMFKSA-N 410.478 1.755 30 10 HDEE CN(Cc1ncnn1CC(F)F)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1503518735 DQPYTQHNHCPKOP-LBPRGKRZSA-N 418.408 1.788 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)c1 1505313690 DEDMHMQOLQJIQS-ROUUACIJSA-N 410.478 1.324 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1507639413 XZANJOBLBVZJOK-UHFFFAOYSA-N 419.411 1.541 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCOCC1 1507645068 SIIWBZYASKDIAF-UHFFFAOYSA-N 423.517 1.757 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H]1CN(CC(C)C)CCO1 1507651205 GXTPHEHQUDFHTE-OAQYLSRUSA-N 406.534 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCOC1 1507663734 AMNGSECNQBXJSO-SFHVURJKSA-N 416.489 1.810 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507748357 QDPIOKOICATDGT-HDICACEKSA-N 416.503 1.890 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507897809 SQHZAFXKCQPQJG-DZGCQCFKSA-N 424.571 1.205 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1519051888 BWLXJBDYXFCJMS-UHFFFAOYSA-N 412.538 1.994 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 1521843942 VJRUFSFUUCYEKP-INIZCTEOSA-N 401.492 1.461 30 10 HDEE Cc1cc(C(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)ncc1C#N 1522022435 HZJTYNRXCVFKER-UHFFFAOYSA-N 412.471 1.263 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1522163003 PNVSNSDKCWHAFS-MOPGFXCFSA-N 421.519 1.003 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4cc(C#N)ccc43)C2=O)cc1 1525149332 GOKOGRYYWBLZAL-JOCHJYFZSA-N 404.426 1.923 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1534132057 HAHVJFMHGHGHEJ-CQSZACIVSA-N 424.427 1.904 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1534146869 UJWCVXVDCFPCKH-INIZCTEOSA-N 423.491 1.458 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@H]3CC3CC3)CC2)cc1 1538456994 NMFZSQXYTGLUKY-LJQANCHMSA-N 417.531 1.986 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539095549 GOZRVTNURWHOMJ-ZWKOTPCHSA-N 419.526 1.243 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1539174484 FJZXFWQNGQCZAN-UHFFFAOYSA-N 413.526 1.101 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1539224991 LAGFPGLPWZTXFW-QGZVFWFLSA-N 421.567 1.116 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1539225597 PIUHMQMAGVYXTB-KRWDZBQOSA-N 411.487 1.532 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)CC1 1539451800 ABLIHRHWKJZXNC-UHFFFAOYSA-N 419.476 1.301 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NC(C)C)CC1 1539470513 SMOMQCHQXSRWHR-UHFFFAOYSA-N 412.494 1.337 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC1(CS(C)(=O)=O)CC1 1539552252 MISOHZBRPFMMEI-GOSISDBHSA-N 400.508 1.552 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539722782 RPSCLLBDDJXJDQ-SJORKVTESA-N 407.515 1.347 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1539803162 FTMPLEYFGDVDNX-INIZCTEOSA-N 423.926 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCc2c(ccnc2O)C1 1540869649 SWMKLODBBYQOKS-UHFFFAOYSA-N 405.462 1.614 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](COC(C)C)C1 1540870336 KTLKRIPRXNKDFD-SJORKVTESA-N 407.515 1.452 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2occc2C)C1 1540882553 KJWTXXKSMYGKOC-LSDHHAIUSA-N 409.512 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540900823 JGZXLUMTRMNOFI-OAHLLOKOSA-N 419.507 1.330 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)CC1 1541991520 CICPYMVOWPQDNE-HXUWFJFHSA-N 402.499 1.450 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)c2cc(C#N)cc(N(C)C)c2)c1 1543547205 ZSVOSUVJVSKLLM-UHFFFAOYSA-N 402.476 1.801 30 10 HDEE O=C1CN(C(=O)c2ccc(CNC(=O)C(=O)/C=C/c3ccc(F)cc3)cc2)CCN1 1544469293 AOPSOCRWLZLJOW-BJMVGYQFSA-N 409.417 1.296 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1552431724 QDUMXZYDACSAIF-SSEXGKCCSA-N 424.534 1.635 30 10 HDEE CN(C)[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CC1 1552794706 HJLYIESNSGZRRK-PKOBYXMFSA-N 423.521 1.381 30 10 HDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccccc2C#N)CC1 1555486544 HEDGUKCFAICFIV-UHFFFAOYSA-N 423.521 1.749 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCCO)C1 1555984337 QNQNIAPBDAEHMG-LJQANCHMSA-N 401.446 1.920 30 10 HDEE Cc1ccc(C(=O)N2CCC(OCCOC(C)C)CC2)cc1S(=O)(=O)NCC#N 1556997890 ZSLXGBJQYZZWPV-UHFFFAOYSA-N 423.535 1.843 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 1557115543 HFUAJZASSSWPKL-CGTJXYLNSA-N 418.563 1.837 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3cc(C=O)c(-c4ccccc4)n3)CC2)cn1 1558227586 WUWOFDXJWHPKAB-UHFFFAOYSA-N 400.442 1.978 30 10 HDEE C=CCCC[C@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OC 1558382848 GKPYYDNVTMOMHX-FXAWDEMLSA-N 424.519 1.456 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1 1559995974 HKSSGRHAPLUTKZ-JYRKZWEQSA-N 400.498 1.627 30 10 HDEE C#CC[C@@H]1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)C1 1560136586 XSCVSSINRTWHIO-LJQANCHMSA-N 419.547 1.616 30 10 HDEE CN1CCC(N2CC[C@H](NC(=O)N3CCN(c4ccsc4C#N)CC3)C2)CC1 1564076827 HUJJUAKMKJKDFD-INIZCTEOSA-N 402.568 1.620 30 10 HDEE COC(=O)c1ccc(CCNC(=O)N2CCN(c3cnccc3C#N)CC2)c(OC)c1 1564821039 BTZKJNHORUJMFQ-UHFFFAOYSA-N 423.473 1.823 30 10 HDEE CO[C@]1(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)C1 1568492119 CBPNWSXARVABED-FUHWJXTLSA-N 411.911 1.253 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CC3(CCOCC3)CO2)s1 1587520619 NYPQAYOGZXIXOI-CQSZACIVSA-N 414.549 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1587661429 BBPJLGKZNNQWQD-SJLPKXTDSA-N 413.526 1.093 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1587989631 LINNAQCNOQIJAF-HOTGVXAUSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588054471 NQLWPEVMTDQTQB-MLHJIOFPSA-N 422.551 1.224 30 10 HDEE Cc1ccc(C(=O)NCCS(=O)(=O)CC2CC2)cc1B1OC(C)(C)C(C)(C)O1 1588089618 JXZYVERVHSUFAV-UHFFFAOYSA-N 407.341 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1588149318 NQSDMBQTGUVUIF-UHFFFAOYSA-N 410.481 1.671 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)NCC)CCC1 1588170987 PUMKQYLGAZFFHH-ROUUACIJSA-N 413.522 1.381 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1588224036 NHUAXGRAVUXXKA-GOSISDBHSA-N 419.485 1.706 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(NC(C)=O)nc1 1588619683 BDKUMIZJIMOGHN-UHFFFAOYSA-N 407.478 1.771 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1588751813 NKBIVQAXWHKJFN-RTWAWAEBSA-N 419.595 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccn(CC)c2=O)CC1 1588813775 ZYNAJHLLZJDZTP-LJQANCHMSA-N 410.522 1.157 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1CC 1589149947 BHPOWINIDMXWBR-GPMSIDNRSA-N 408.572 1.365 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1593746274 AFAPONJQXLDBBF-UHFFFAOYSA-N 406.575 1.670 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1595583341 CQQNTOVKCGQBHH-OAHLLOKOSA-N 407.492 1.636 30 10 HDEE COC(=O)Nc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1596032587 GAHVALKNOCQLIM-CYBMUJFWSA-N 416.459 1.720 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)nn1 1598174422 GZLKEWHPTQZCRE-AWEZNQCLSA-N 403.870 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nn(C)cc2C(=O)OCC)s1 1608302996 YUTNREDRLNVFEB-UHFFFAOYSA-N 412.493 1.304 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(F)(F)Br 1608399815 GRTBDZDIYQADNP-GFCCVEGCSA-N 409.210 1.846 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc3ccccc3c2Br)C1=O 1611195438 ONVDTZDZMSLREQ-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)CCO1 1611516696 GXFILLMDZYGPLB-KRWDZBQOSA-N 404.444 1.616 30 10 HDEE C[C@@H](NC(=O)c1cccs1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648971 PLXFFOXQXSIVKE-GFCCVEGCSA-N 401.444 1.771 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(Cl)ccnc2Br)CC1 1615209157 NKTBYTILPNZKAH-UHFFFAOYSA-N 413.703 1.395 30 10 HDEE N#C[C@]12CN(C(=O)COc3ccc(C(=O)c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1616328372 HGVKKQRGVVWLLI-PGRDOPGGSA-N 424.478 1.693 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccncc2)n1CCCn1cnnn1 1617869890 PRNIXORPTICMPI-UHFFFAOYSA-N 414.477 1.849 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C)C(=O)OC 1617951159 SUHFUKZRCNLKRN-QRWLVFNGSA-N 414.499 1.653 30 10 HDEE N#CCC(=O)N1CCN(C[C@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1618012114 QCFQCEMVMVYVFJ-KRWDZBQOSA-N 424.423 1.225 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1618500500 OUFBJAHLLVIBGF-FOIQADDNSA-N 406.531 1.904 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619537027 FAQBQPCWDVUPQZ-NHCUHLMSSA-N 410.522 1.832 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1619912779 LZMIGJNXZSSBGB-CQSZACIVSA-N 418.479 1.060 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc(C4CC4)n3CCSCCCO)CC2)nc1 1620351033 QJVYYJAINVABCG-UHFFFAOYSA-N 413.551 1.864 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(CC)cc(CC)cc2CC)CC1 1621835197 GSFIDYRHYQXHNE-UHFFFAOYSA-N 419.591 1.820 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C(=O)OC 1622226471 STMLRDUXAJSVRX-LBPRGKRZSA-N 404.238 1.079 30 10 HDEE N#Cc1ccc(CCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 1622346379 ALQATUNLUOHWPE-UHFFFAOYSA-N 405.501 1.520 30 10 HDEE CN1CCO[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 1625039290 JKZPLESDEILQFB-TYYMKKSVSA-N 422.507 1.075 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)nc1 1625517129 ICBPTDVAUWELKF-UHFFFAOYSA-N 415.400 1.951 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1 1627851818 CDTPTEVQFDJVJI-DLBZAZTESA-N 406.446 1.285 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnncc2O)CC1 1633104535 NIDMJZVGKUDMBC-OAHLLOKOSA-N 402.252 1.967 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC[C@@]3(O)C(=O)Nc4ccccc43)cc2C1=O 1633501617 UYPMOFGPEBEDAW-QFIPXVFZSA-N 405.410 1.428 30 10 HDEE N#C[C@]1(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)CCc2ccccc2C1 1634340542 WTNHLFQRRIXMFW-IBGZPJMESA-N 402.451 1.452 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1635061595 GNVFUFBLAZWVLD-UHFFFAOYSA-N 405.495 1.505 30 10 HDEE N#Cc1cc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)ccn1 1635744367 COCSKXIGRHHLLA-QGZVFWFLSA-N 400.460 1.341 30 10 HDEE COc1ccc(OC)c([C@@H](O)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1635813701 HAZXGSLCTBIFBO-KRWDZBQOSA-N 422.434 1.604 30 10 HDEE CN(C)CCN(C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637215062 RBTDSFGEOUYBTE-DKTYTTGXSA-N 421.586 1.773 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1637438752 CFXIQRBRMWAUII-ZFVVBOAOSA-N 401.488 1.631 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 1637491539 FURRTSRVVVMERE-OKILXGFUSA-N 408.480 1.008 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1638790933 NZFGKJXWQIIDOU-ZDUSSCGKSA-N 414.487 1.526 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1639961761 HIWXBXFSTQVUQJ-QGZVFWFLSA-N 412.471 1.179 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)Nc2ccccc2-n2ncc(C#N)c2N)CC1 1640347317 HTGADJPVXZUSMF-UHFFFAOYSA-N 402.480 1.326 30 10 HDEE C[C@@H]1NC(=O)N(CCN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1642603140 QMPJIEVQQVIRMF-XJKSGUPXSA-N 420.311 1.572 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 1644285235 LVPHVZKDBIZDIF-LJQANCHMSA-N 421.563 1.410 30 10 HDEE N#CCCN1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 1648962968 GQKGDDHXRWELHN-UHFFFAOYSA-N 414.578 1.157 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(OC(F)F)cc2)CC1 1650848573 ACAFHZNVEXHHNN-JKSUJKDBSA-N 413.446 1.003 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@H](CC)c3ccc(F)cc3)CC2)C1=O 1651379139 YKMSIDCJOYKJHI-QGZVFWFLSA-N 416.453 1.398 30 10 HDEE C#CCN1CCC(NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1652173678 XPSGWVZKVHCMLE-QGZVFWFLSA-N 416.526 1.678 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)COc2ccccc2C#N)CC1 1652459727 KSLKCGMPLRUHDJ-XLIONFOSSA-N 400.523 1.363 30 10 HDEE C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688754 FHVCXDCMUNBYBS-UTKZUKDTSA-N 419.526 1.743 30 10 HDEE O=C(CN1CC[C@@H]2[C@H]1CCCN2CCO)NCC#Cc1cccc(C(F)(F)F)c1 1660523083 ZJOCBDFIXXSQOF-RTBURBONSA-N 409.452 1.704 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)nn1 1678040720 UVYZTPQCKBWTSG-SFHVURJKSA-N 404.902 1.990 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1 1681299994 CMXWVIUYMFDTGK-HKUYNNGSSA-N 409.490 1.708 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 1682149898 IHJFCDBAJRQZMY-MUUNZHRXSA-N 407.492 1.553 30 10 HDEE C[C@@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(Cc2ccccc2)C1 1682168823 CPQQRCFGPGYJCS-JBACZVJFSA-N 416.547 1.478 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)C1 1685180134 HZVRMTPYKGCJSU-SFHVURJKSA-N 418.563 1.722 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CCO[C@](C)(C#N)C3)c3nccn32)C1 1685543348 JDLUTUVBXZXHOZ-AUUYWEPGSA-N 416.482 1.598 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCS(=O)(=O)C1 1687259230 LLEGLNXYVIAZGV-LSDHHAIUSA-N 413.902 1.890 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1689992640 NNTONRCGPGHSBZ-ROUUACIJSA-N 407.584 1.444 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690188979 ROWCJDLGTHXZCC-ZLGUVYLKSA-N 401.511 1.747 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690245292 GOMYXVDVKLJDRQ-WKULXVSPSA-N 424.567 1.369 30 10 HDEE C=C(C)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1690297824 HXRFSVOLAADUSK-FQEVSTJZSA-N 405.499 1.974 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690308783 ZPAFHDWBZIUJKX-LJQANCHMSA-N 405.524 1.881 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1690554035 QRDZYPFDHGJFEV-VYDXJSESSA-N 410.540 1.592 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)CCO1 1698493762 XMHUWAGUEYCQDK-KGLIPLIRSA-N 400.414 1.004 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1705510547 RWRZUQFQPVMQCW-AEFFLSMTSA-N 423.583 1.945 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1705553728 WGAOSGIVWGYQQG-ZWKOTPCHSA-N 402.543 1.436 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2snnc2C)n1 1705631735 OVCPWAYRLSNOPG-UHFFFAOYSA-N 412.523 1.846 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOCCOC)CC1 1705641850 WHERFNPIKGLJDS-UHFFFAOYSA-N 404.540 1.052 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705662011 NNBMQUHGDJTOMX-HNNXBMFYSA-N 418.567 1.706 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1705741332 MSLWBAULMJAXTQ-YVSFHVDLSA-N 422.482 1.709 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1705809735 AXDVFIZFLQAASQ-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2nccs2)C1 1705900446 DMAGNHQAZJVTDW-AWEZNQCLSA-N 414.495 1.015 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)C1 1705921969 CUCCJZMMMWCWAG-PBHICJAKSA-N 400.483 1.918 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1c(C)nn(C)c1C 1710698178 RDUSZBFRRSGSLE-UHFFFAOYSA-N 422.493 1.748 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)CC1 1712505670 REKUKCDXKISERX-UHFFFAOYSA-N 409.494 1.036 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC=CCO2)cc1 1712880435 JHMNYBAZXATZSO-IBGZPJMESA-N 422.489 1.776 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCC(C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1716886091 ASCMLCCOXVKOOJ-IYWGDAJJSA-N 401.551 1.829 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722335892 ZROJYYYJNIQFCP-INIZCTEOSA-N 402.524 1.147 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722439919 UQHAATLAWNLPAI-KRWDZBQOSA-N 412.563 1.600 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(N2CCOCC2)CC1 1722467949 DRDDKYXQHHINIQ-WIYYLYMNSA-N 417.554 1.859 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(c2cccnn2)CC1 1722488569 IGMLNFKXAKOEQN-UHFFFAOYSA-N 408.304 1.840 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722492627 GCJFJTJOERJUGT-SUMDDJOVSA-N 408.510 1.945 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722692650 UDLPJJBTQRDFAI-MVVMVCHASA-N 418.542 1.096 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(CCC)C(=O)C1 1722700500 KXOJZJDAMLRGKG-UHFFFAOYSA-N 411.510 1.015 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722737590 LSLQHAASGITXMJ-HNNXBMFYSA-N 402.528 1.154 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@@H]1C 1723779144 GWSMUDPEMZGZSR-ZOCZFRKYSA-N 409.494 1.795 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1726207962 BEVIZEAVEMOEET-KKEPMVJESA-N 400.519 1.727 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1726764793 HXSNFCYNAXIMND-XAYKYTGQSA-N 404.858 1.262 30 10 HDEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1730510311 CYKUIWZQDSMFGJ-QAPCUYQASA-N 424.571 1.835 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1Cc1ccc(C#N)o1 1730959005 NXWOQGYQYLLGDA-BODMPHMZSA-N 401.467 1.722 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CCO1 1731190091 OTUNZPSYOQEPFK-IAGOWNOFSA-N 401.515 1.224 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1740620280 DFFXBELCMKJPMT-SFHVURJKSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CC=CCC1 1740645177 AVDJQKBUZOGNSC-UHFFFAOYSA-N 403.490 1.650 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H]1COCCO1 1740650816 OIPWRLCAOUVCSN-GOSISDBHSA-N 408.458 1.942 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCCC1 1740655463 CFAOLWXCVQPUJY-SFHVURJKSA-N 418.563 1.728 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCCS1(=O)=O 1740681686 BPFZPFXSCAMYGV-MRXNPFEDSA-N 406.508 1.900 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccco2)CC1 1740697708 DCZJJBDSSDAKSR-QFIPXVFZSA-N 406.490 1.520 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740951373 WWEWVBBGLBTALC-RIFZZMRRSA-N 402.499 1.674 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964671 GIKWIVXBVWVBHS-MOPGFXCFSA-N 406.462 1.063 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CCCO)C1 1741983991 GJEJEAPIHZNULI-UTKZUKDTSA-N 410.526 1.712 30 10 HDEE C[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1743105909 CHZPQUWBAQBEOX-HNNXBMFYSA-N 400.508 1.841 30 10 HDEE CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(c3ccc(C#N)cn3)CC2)CCC1 1746494818 GSKDIKPFNIQBGA-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE CCOCc1nnc(N(C)Cc2ccoc2)n1CCN/C(O)=C1/N=CC=CC1=O 1747038892 AWARGMDKVAPQJO-ZCXUNETKSA-N 400.439 1.570 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(C)CCC1 1747974663 ZGVVAWIVDNFIOP-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1748817205 GPGYSAAAXKGPNL-OXJNMPFZSA-N 420.535 1.585 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccn(CC)c1=O 1748824450 BNPGEQBLOPMFSA-UHFFFAOYSA-N 415.457 1.228 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(N)=O)c1 1748900861 MKZAVVFWICVJAA-UHFFFAOYSA-N 418.501 1.205 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748903029 YUKKNDDPKBDZQU-MRXNPFEDSA-N 413.444 1.541 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)[C@H](C)CC)CC1 1749014741 MUTXWDYRVGVVGW-MJGOQNOKSA-N 416.570 1.478 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1749208723 AXAFASWWMITJQR-RXVVDRJESA-N 416.526 1.917 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2ccnc21 1749601053 VYKUNWMVAHRTQD-KRWDZBQOSA-N 413.526 1.813 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 1749650859 IHRIJOZQADURGR-XHSDSOJGSA-N 424.571 1.207 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@](C)(CC)C1 1749735498 VAMMFMMUVGCTOB-APWZRJJASA-N 412.556 1.778 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1751094199 GCBFDWZIEZYNTP-ZIAGYGMSSA-N 405.503 1.834 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCC[C@H]32)n1Cc1ccc(C#N)o1 1751221663 KTVZWVHZCGTSJK-HEHGZKQESA-N 404.496 1.780 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760135744 HHQONXRUUWVNMC-KRWDZBQOSA-N 416.551 1.909 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760137642 LSELZJLSOJTSIB-QGZVFWFLSA-N 423.583 1.836 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCc1ccccc1 1760172382 ZPEPWIBCNCSVLM-UHFFFAOYSA-N 420.473 1.782 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760189561 VILNQFDBXAXXGZ-FGTMMUONSA-N 422.551 1.571 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1760227882 OVUVDOVSOKOTDY-DENIHFKCSA-N 418.586 1.416 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1760261860 QPRNTSHTWGDOLL-LJQANCHMSA-N 412.538 1.571 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760316494 SQZCBUWXDNDDEG-PKOBYXMFSA-N 401.515 1.971 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760355202 BEHKVYKYTUIFAJ-MRXNPFEDSA-N 412.498 1.368 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1760357993 LYWXNKIILGRNSN-AZUAARDMSA-N 418.586 1.812 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760358418 VYJNMNDKWJPBFW-GOSISDBHSA-N 413.526 1.800 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760522131 MGOLSZXIFSQRGB-NRFANRHFSA-N 404.559 1.470 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)C1 1760543962 WZJCIIDFOYSEEZ-OLZOCXBDSA-N 407.425 1.650 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCC2)cs1 1762297268 SFUKFJSVXHQJNY-INIZCTEOSA-N 401.540 1.847 30 10 HDEE CCN(CC(C)C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1764840071 MWTFVIWBXYSYSN-FBMGVBCBSA-N 417.514 1.425 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)OC)CC1 1765635314 HPRWZSSXDLACCL-INIZCTEOSA-N 411.510 1.110 30 10 HDEE CCO[C@]1(c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1767417285 YXTNOGCDIZTSQT-VBKZILBWSA-N 414.466 1.110 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(N2CC[C@](F)(C#N)C2)nnc1C(C)(C)C 1768432153 HQGMQPYEMSMPGL-IERDGZPVSA-N 419.549 1.960 30 10 HDEE Cn1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CC[C@](F)(C#N)C2)cn1 1769015658 GRNZXZRRZQEYNL-SFHVURJKSA-N 414.470 1.493 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1769603834 DQSVNZFVXBEBGM-QWHCGFSZSA-N 400.405 1.937 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1769686937 PUDVCAZPJQKHMJ-INIZCTEOSA-N 403.508 1.724 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1769735968 MUQHYMFRDVAZPI-NRFANRHFSA-N 410.478 1.482 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N=c3ccc(N4CCOCC4)n[nH]3)n[nH]2)c1C 1850157938 KBXADUUUXJVGJS-UHFFFAOYSA-N 422.493 1.767 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1851850725 CLZQJNUHEOXPFH-RYUDHWBXSA-N 401.858 1.407 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2c1 1852518132 XKOSWKAEIVLAHC-UHFFFAOYSA-N 421.457 1.535 30 10 HDEE COc1cccc(-n2c(C)nn(CCCC(=O)NCC3(C#N)CCOCC3)c2=O)c1 1853165047 KASRBDRSBCHLOK-UHFFFAOYSA-N 413.478 1.568 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)C1 1854274969 RCRUQVSMBQPBRL-MRXNPFEDSA-N 402.426 1.347 30 10 HDEE C[C@H]1C(=O)N(C(=O)C[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854635748 LPSNOFCTHZEJES-GOEBONIOSA-N 405.476 1.265 30 10 HDEE COc1cccc(OCC(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1 1854941952 VJTCMPXRVRZHCR-QZTJIDSGSA-N 414.506 1.511 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(CCn4cccn4)CC3)CC2=O)CC1=O 1855111580 FGCRWYJXACUWNO-MOPGFXCFSA-N 413.522 1.005 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nn(C)c3c2CCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855121739 COYOHLZTCYOZQR-CQSZACIVSA-N 405.458 1.336 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C(=O)C1(C)C 1856389749 DCPSBHUWZURQNY-HNNXBMFYSA-N 413.474 1.446 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4COCCO4)C3)CC2)cc1 1856635828 VAAIVJHUZVJJIZ-FXAWDEMLSA-N 413.474 1.192 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1CCCOC1 1856896058 POPSOEMGWCVBAK-OAHLLOKOSA-N 405.476 1.453 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856900037 ZUMDUEJUXFCCPK-IRXDYDNUSA-N 407.492 1.669 30 10 HDEE Cc1ccnc(C)c1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857037312 YTIQHTOYCMGDFS-INIZCTEOSA-N 404.492 1.253 30 10 HDEE COc1cncc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1C 1857104742 WIZANYQAQRVERN-KRWDZBQOSA-N 407.430 1.170 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2noc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857271002 XHYAEBGDXWKJPP-MAUKXSAKSA-N 410.474 1.464 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)ccc1F 1858317917 YRXQPABKRMOAJC-HNNXBMFYSA-N 423.491 1.747 30 10 HDEE N#Cc1cccc(C(=O)Nc2nc(N3CCCCC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1870049288 UJQRVGUIWFKQBQ-INIZCTEOSA-N 414.491 1.752 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc3cc[nH]c3c2)[nH]1 1871588019 NFHZAZQLFCHQIJ-UHFFFAOYSA-N 422.493 1.817 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871654495 LETKVPHLTCMRPR-UHFFFAOYSA-N 410.881 1.949 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1=O 1872917727 JRFMMBQCJVARSG-MRXNPFEDSA-N 413.474 1.669 30 10 HDEE C=CCn1c(C(=O)NCc2ccncc2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594023 KEYKDYNFUDOBHY-UHFFFAOYSA-N 419.489 1.644 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1 1874436143 OGFOABHKHWASIW-KEBDBYFISA-N 405.480 1.850 30 10 HDEE Cc1cccn2cc(CC(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc12 1889383535 FCCCDGNNCQKILI-UHFFFAOYSA-N 423.561 1.444 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=N)[nH]cc2Br)[C@H](C#N)C1 2044686799 OMLLZFKQYHMWAA-SNVBAGLBSA-N 410.272 1.842 30 10 HDEE CC(C)(C)OC(=O)NCCC1(O)CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 2174781060 BKGXEGUDOLIZHB-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(CNS(=O)(=O)N2CCC(C#N)CC2)CC1 2174783697 FUSMDQRJZRMQJC-UHFFFAOYSA-N 404.508 1.796 30 10 HDEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)CNS(C)(=O)=O 2186589166 BYKWLKDMUYGUHS-NSHDSACASA-N 402.347 1.116 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1N 2205584269 IIFWVHZXGONHQD-KBPBESRZSA-N 412.537 1.770 30 10 HDEE CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2243383774 CSYVVOSMCDNBBP-UHFFFAOYSA-N 406.292 1.448 30 10 HDEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247814584 SIHQLRZCWQZPHT-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE CON(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)OC(C)(C)C 2247856518 AEWFOSUUVHPUTJ-UHFFFAOYSA-N 423.319 1.853 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 2247908147 OBNDBRCOOZRTJV-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE Cn1cc(C(=O)NC2[C@H]3CN(Cc4ccccc4)C[C@H]23)nc1B1OC(C)(C)C(C)(C)O1 2255821465 FSXWICYUUWWMFD-IRXDYDNUSA-N 422.338 1.580 30 10 HDEE Cn1nc(C(=O)N2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267178723 GNHOCFNNMFWSTP-UHFFFAOYSA-N 411.695 1.352 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)N(C)C 2267707217 MWSKDOODKQREKZ-JTQLQIEISA-N 408.782 1.929 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3csc(O)n3)s2)OC1(C)C 2267711285 JAUXQWMXVAOSHZ-UHFFFAOYSA-N 402.328 1.688 30 10 HDEE Cc1cc(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)c(C)s1 2268783027 RVFHTRQQBOQSBL-UHFFFAOYSA-N 401.344 1.738 30 10 HDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@@H]1CNS(=O)(=O)CC(C)(C)C#N 2279473290 PYUSEEVJDFXSMY-MCIONIFRSA-N 405.517 1.105 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(C)CNCCO3)sc2Cl)OC1(C)C 2281969339 LJEZYDWZEFBLDP-KRWDZBQOSA-N 400.737 1.809 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)[C@@H](C)C1 2282321828 BWRINNDTPNLSRN-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CC[S@@](C)=O 2282324896 WROKMXSXWBHHTE-JPQMIFPKSA-N 421.415 1.791 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCCCN3)s2)OC1(C)C 2282332217 XSGBMAOVYPHCRT-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CCc1nnc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)s1 2282333086 KKGPVFKGQSPNST-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE C[C@@H]1CNC[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349711 CGCYRJCXGBPBEA-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CN)C1 2282414684 WLGUYUSQKKBKLF-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)C2CNC2)c1B1OC(C)(C)C(C)(C)O1 2282416145 RFVUHPVMRZSVBT-JTQLQIEISA-N 400.375 1.550 30 10 HDEE C[C@H](NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(N)=O 2282499157 AUABQWAYTYDOLR-QMMMGPOBSA-N 423.127 1.445 30 10 HDEE CN(C1(CCO)CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282499910 TZBJCKORXWNHOV-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3CC(F)(C3)C2)OC1(C)C 2282839178 ZYXWZAMRHKHOJD-UHFFFAOYSA-N 402.322 1.706 30 10 HDEE CSC[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282845870 ZYEJVYBZVLQHHD-GFCCVEGCSA-N 418.415 1.957 30 10 HDEE CCCSC1CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282846858 PYXAOGWNDNXEFB-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282854528 SPKQQARDCWSOFS-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(C)CCCNC2)OC1(C)C 2282885000 WHPKYWIWPGRITK-KRWDZBQOSA-N 400.375 1.715 30 10 HDEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 2314522453 JRCQAYVJSIKBBR-HXUWFJFHSA-N 409.442 1.985 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccccc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n1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc([N+](=O)[O-])ccc21 13791855 OCSIEAQDXICNJX-GHXQLAGASA-N 424.504 1.896 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(c3nc(C)cs3)CC2)c1 55759482 LOCUDSFYEJZFIV-UHFFFAOYSA-N 418.544 1.716 30 10 HDEE O=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 96352716 TYTVMQZQVIUHDK-UHFFFAOYSA-N 414.439 1.744 30 10 HDEE COC(=O)c1ccn(CSc2nncn2N=Cc2cc(OC)ccc2OC)n1 254634971 VZTOXCDUFZAPIZ-UHFFFAOYSA-N 402.436 1.910 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](Nc3cc(N4CCCC[C@H]4CO)ncn3)C2=O)cc1 302861647 VMKXKGZKNFNGJK-RBUKOAKNSA-N 406.490 1.912 30 10 HDEE C[C@H](C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)n1cnc(C#N)n1 409621483 MERPLZQRKMQSPZ-CQSZACIVSA-N 407.434 1.163 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)cc1C#N 427345897 RCGKZAAPWYYJSZ-UHFFFAOYSA-N 404.423 1.674 30 10 HDEE C[C@@H]1C[C@@]2(CCO1)CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C[C@@H](C)O2 431231811 WDTRZNXWPPGTFL-QINHECLXSA-N 421.519 1.677 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)c1 434041585 LKXVEVQGFXOASZ-HIFRSBDPSA-N 406.426 1.926 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1C(F)(F)F 435171748 SPFJQDRCGZHKIJ-UHFFFAOYSA-N 419.406 1.703 30 10 HDEE CCn1nnnc1-c1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 438305220 WZFYHHIAJQMUME-UHFFFAOYSA-N 403.450 1.981 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)C1=O 441505064 XDSZYJHWSADSPQ-KRWDZBQOSA-N 409.446 1.334 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)CC1 443331073 VFLNDCHOUROEET-UHFFFAOYSA-N 412.490 1.980 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Cl 447161254 WXHADTACQWBYGK-DPDCMNJDSA-N 405.863 1.297 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1C 447743880 IKLSNWBXXSMWSL-JOCHJYFZSA-N 420.473 1.895 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC1CCN(c2ccccn2)CC1 464960628 OQKPKJFQVBMPTL-MRXNPFEDSA-N 406.494 1.632 30 10 HDEE N#CCN1CCC(CNC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 464969933 ACPXCZTZXNIXMJ-OAQYLSRUSA-N 405.502 1.774 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@]2(CCO)CCOC2)CC1 475806700 COWSLOCQDIPESH-OAQYLSRUSA-N 414.462 1.928 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 479934826 XOADIQYMLUZQLV-LSDHHAIUSA-N 424.486 1.683 30 10 HDEE COC(=O)c1cc2c(cc1NC(=O)N1CCN(c3ncccc3C#N)CC1)OCO2 487004391 ZIYGLYOSCRZTGA-UHFFFAOYSA-N 409.402 1.823 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)c(N3CCOCC3)cc2F)CC1 494083063 JRHYKWXAKDBYDT-UHFFFAOYSA-N 423.464 1.253 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCc3ccnc(O)c3C2)c(C#N)cn1CCOC 494586081 LCLDZXZXOQOQFO-UHFFFAOYSA-N 413.434 1.874 30 10 HDEE CCCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2C)c1=O 502059611 XQNUZIUVSAYQKV-UHFFFAOYSA-N 422.510 1.838 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCC(C)(C#N)CC1 506047492 LZXFRLNAAIEBRO-AWEZNQCLSA-N 408.524 1.898 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 508919203 QAEZICWILMPDJO-QGZVFWFLSA-N 416.507 1.305 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1C[C@H]1CCCO1 541864152 JZIXETBOLVGHMO-CQSZACIVSA-N 417.918 1.300 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 545467588 WKSGNVGLPAIWLB-UHFFFAOYSA-N 424.479 1.007 30 10 HDEE COc1cc(CN2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OCC(N)=O 546258473 ZSQNBPIKAKACBG-UHFFFAOYSA-N 411.462 1.157 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 549251858 DPLQDKIWSANVRN-QGZVFWFLSA-N 400.527 1.929 30 10 HDEE COc1cc(CNC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)ccc1C#N 558614253 HRUIFHBFEOHABO-UHFFFAOYSA-N 413.522 1.843 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 580603659 PAKVSXFDPPTEAU-KRWDZBQOSA-N 403.508 1.800 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ncc(C#N)cc1C)c1ccc(S(C)(=O)=O)cc1 583768746 BYYNOIHWDDBZKS-HXUWFJFHSA-N 415.471 1.874 30 10 HDEE O=S1(=O)N/C(=N/C2CCN(Cc3ccc(-n4cccn4)nc3)CC2)c2ccccc21 585535264 NZAVWLAXTMIERM-UHFFFAOYSA-N 422.514 1.970 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@H]1C(=O)NC 609169922 HQJIVHOMNASURD-ZDUSSCGKSA-N 410.268 1.835 30 10 HDEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670216081 ZCNSTQSRMROMBW-PXNSSMCTSA-N 409.538 1.905 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO2)CC1 670307256 MHRYZYKMECJAGA-LJQANCHMSA-N 424.549 1.857 30 10 HDEE C=CCOCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 679516093 SLSWWCNJYHRDSJ-HNNXBMFYSA-N 418.519 1.909 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(Cl)ccc1C#CCO 703969272 JOYPPICWEXXEAJ-UHFFFAOYSA-N 418.858 1.722 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 731861545 FGEKHXBMFBXCSW-ZCXUNETKSA-N 406.483 1.666 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1 732974270 VQGZHLQXVVALBP-UHFFFAOYSA-N 407.492 1.337 30 10 HDEE C=C(COC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)OCC 734023480 SVWRLXWNYURZER-UHFFFAOYSA-N 413.448 1.179 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1=O 734292205 FRLOWXKXIJJVQW-OAHLLOKOSA-N 413.455 1.733 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)Cc2cccc(C#N)c2)C1=O 750434292 QVZHZFSSRFMXSE-QFIPXVFZSA-N 420.425 1.532 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c(Cl)nc2ccccn12 757372236 DPADQDFZIAGEJE-LBPRGKRZSA-N 417.882 1.549 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC=CC2)cn1 759698147 XAUAREKRMCIBDP-INIZCTEOSA-N 417.535 1.808 30 10 HDEE CN1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1c1ccccc1 759956074 NYDRKESZTBKSHX-FXAWDEMLSA-N 412.515 1.677 30 10 HDEE O=S1(=O)N/C(=N/Cc2nc(-c3ccc(N4CCCC4)nc3)no2)c2ccccc21 761727301 HNPHRFTXLJKRGQ-UHFFFAOYSA-N 410.459 1.971 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)c1 767163819 SRICJBJPMUEKQP-ZDUSSCGKSA-N 411.480 1.173 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774176667 DROBSYACDGQNLE-WOJBJXKFSA-N 419.547 1.200 30 10 HDEE C#CCN(C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 774179440 OINXIUWDQJRJTB-INIZCTEOSA-N 411.911 1.891 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 774229341 VVBGZDMFHBNJFO-JKSUJKDBSA-N 409.895 1.277 30 10 HDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 780204895 KPMNPNRRHZGPPL-FOIQADDNSA-N 409.442 1.999 30 10 HDEE O=C(OCC#Cc1ccc(C(F)(F)F)cc1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785658246 CHDSRGNMPCDNBO-QGZVFWFLSA-N 424.419 1.781 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CCC(c3ccccc3)=N2)n1 788820486 RIZUCNLZKNCMNJ-UHFFFAOYSA-N 421.501 1.908 30 10 HDEE COC(=O)c1ccc(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nc1 793388927 JFEFEVPFOCRRBP-QGZVFWFLSA-N 422.397 1.688 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCSC2)cn1 794443186 YMBANBXBHSALTA-LSDHHAIUSA-N 424.596 1.408 30 10 HDEE CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1 798739849 CWMBLCCSCFUMEN-HNNXBMFYSA-N 421.461 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1 810035503 BMWCHZXTHPVSLE-UHFFFAOYSA-N 416.547 1.514 30 10 HDEE C#CCCS(=O)(=O)NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 810785707 OMBFDTUZDHUNAY-UHFFFAOYSA-N 408.295 1.244 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(=O)n(C)c1=O 915198644 NDVCYGIQCOCIHK-VURMDHGXSA-N 403.398 1.795 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H]3Cc4ccccc4S3)CC2)o1 915377728 DEVDTLCKHYAOES-QGZVFWFLSA-N 412.471 1.764 30 10 HDEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2nc(C)cs2)n1N 1083970555 PUHBUKZNEPBYFD-UHFFFAOYSA-N 418.508 1.942 30 10 HDEE CC1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]2COC[C@H]2O1 1130596200 WZVIOONODPTTSB-BRWVUGGUSA-N 412.446 1.168 30 10 HDEE C=CCOc1ccc(CC(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)cc1 1141636032 LNODRDLSABJNME-UHFFFAOYSA-N 418.471 1.884 30 10 HDEE COCCN1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1147026152 FZFIYHYYMZLHOR-CXIVCQEWSA-N 406.527 1.610 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C1CCOCC1 1148195407 VOXCUWJNFGZPPT-SECBINFHSA-N 407.311 1.316 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCN(C)c1ccccn1 1153119521 JWMWVGNPPUBAFT-OAHLLOKOSA-N 401.492 1.263 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2nc(N(C)C)ncc2Br)c1C#N 1160501656 PVTOOGBDPBWDOR-UHFFFAOYSA-N 407.276 1.304 30 10 HDEE COc1ccc([C@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1167268964 IEVZOGGGWIFPKF-ZDUSSCGKSA-N 403.460 1.731 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1176172777 KGBYFSGENMJFJA-IBGZPJMESA-N 417.506 1.955 30 10 HDEE CCOCn1nc(C)c(C[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1179649803 APIHLBKPSYBYQU-ACWOFJMJSA-N 408.524 1.069 30 10 HDEE CC1(N2CCC2)CCC(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1179795738 IHFYWMNABTVOAQ-UHFFFAOYSA-N 404.536 1.638 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1187461582 ZQFQRYGIQSTROT-MOPGFXCFSA-N 404.488 1.311 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCC(n3cc(C(N)=O)nn3)CC2)cc1C 1196165597 DPNZHQPAHHZWQJ-UHFFFAOYSA-N 409.494 1.578 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)c1 1208431521 QYKDIILGYMIKQP-UHFFFAOYSA-N 418.446 1.782 30 10 HDEE C=CCOCC(=O)N1CCOC2(CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1282570373 HNBPXKQBIDHCSN-FFIKJPPGSA-N 404.507 1.269 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1286350161 WIMJEJTWLNWFAV-LJQANCHMSA-N 422.533 1.956 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1286372768 YDNDLUPXRXIOAI-FQEVSTJZSA-N 421.549 1.511 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1286444495 YNZXAPGJWQZHKS-SPLOXXLWSA-N 408.462 1.593 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1286447079 IWHFBOIICSAEDE-ZACQAIPSSA-N 409.556 1.507 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1286483948 AWJLVGSMNKSZLV-UHFFFAOYSA-N 416.489 1.266 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccn2)C1 1286809250 HQLBIOCSWNXXOY-SJLPKXTDSA-N 417.535 1.599 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnnn2C)C1 1286812650 RKWRMOXQVDSSAJ-LJQANCHMSA-N 409.494 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1286817932 QPJHBQJZZBRELE-MRXNPFEDSA-N 411.572 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1297220076 AGADPKZCSBMJJX-UHFFFAOYSA-N 417.466 1.213 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300417708 ZJHVWVBJLOXBDN-MRXNPFEDSA-N 424.534 1.876 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492676 ONQOUMHNLLORGG-MOPGFXCFSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(Cl)c1 1300509148 GRUBYUPLTUOTAU-CYBMUJFWSA-N 423.901 1.802 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(C)n(C)c1=O 1300587122 PCHIUPPJSUHUQZ-UHFFFAOYSA-N 400.486 1.782 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2cccn(CC)c2=O)CC1 1300703979 XOSSRSOTVRNPPY-UHFFFAOYSA-N 417.517 1.249 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1301217884 HECVNHWWDNFLCX-UHFFFAOYSA-N 412.542 1.389 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccc(C)cc2C)CC1)c1cc[nH]n1 1301283250 NAJHDRVUXGIFRL-UHFFFAOYSA-N 413.478 1.659 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N(C)CC 1301425181 UFHMLKKMKPAJTL-GOSISDBHSA-N 415.494 1.908 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(C)=O)nc1 1301425523 WFCGPBRAZXCTKV-QGZVFWFLSA-N 400.483 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCc2c(ccnc2O)C1 1301493462 ZKOMOOFTSPDNKK-UHFFFAOYSA-N 420.473 1.919 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@H](C)O[C@H](C)C1 1301498529 PWQJWWMVWLQYAR-OKILXGFUSA-N 423.477 1.510 30 10 HDEE C=CC[C@@]1(C(=O)NC2CCN(S(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1301616369 GMWSYIWZHLMDGL-SFHVURJKSA-N 416.544 1.116 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1301805329 GPMPWZQBRARQHB-OAHLLOKOSA-N 421.498 1.885 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1302081341 ULGGCCZJQDIZMA-CQSZACIVSA-N 402.455 1.184 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C3CCC2(C)CC3)n1Cc1ccc(C#N)o1 1303819932 LHTBPIPIKXLNPK-WHENESEISA-N 404.496 1.923 30 10 HDEE C=CC1(CC(=O)N[C@@](C)(Cn2cccn2)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1304803279 RGAWPWHGXCRDTH-IBGZPJMESA-N 406.483 1.744 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1305205287 HJSKAKFATAEDMV-MDZRGWNJSA-N 413.478 1.758 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307541023 XQKROYZHPWZBAM-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)CCC1 1308113794 IMWHFPDWMCVFRU-MOPGFXCFSA-N 421.563 1.933 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C[C@@H](O)COc1ccccc1C#N 1308146946 QXTASFZYBYCQFY-ZWKOTPCHSA-N 405.495 1.866 30 10 HDEE CC(C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(Cl)c1F 1312563274 FLGIJWJHBUNFKA-UHFFFAOYSA-N 407.833 1.890 30 10 HDEE Cn1cc([C@H]2CCN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)C2)cn1 1314897934 BFFCEBSNHHUGGK-IBGZPJMESA-N 421.505 1.943 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3ccccc3C#N)CC(=O)N2C)cc1 1318641825 QEIOJADVGIFGMW-APWZRJJASA-N 413.455 1.591 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1319019916 DPPLXQUZQJSISA-QJGXAYKQSA-N 406.483 1.713 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1 1320924278 CREXIRFAKCNBGA-QVKFZJNVSA-N 401.463 1.574 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)C1 1321285460 FIBYKKVMMQOIIJ-RBUKOAKNSA-N 422.493 1.881 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1336436169 VCRFDSUDSPHFJU-QAPCUYQASA-N 415.453 1.826 30 10 HDEE C[C@]1(c2cccc(CNC(=O)N3CC(Oc4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1337989147 ZETQTVRULYVKBE-JOCHJYFZSA-N 419.441 1.586 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1357217707 HLRSMXWDUOTMPL-CQSZACIVSA-N 420.462 1.643 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1NC(=O)CC1(C)C 1358894194 KBYWNOMSTFNLKK-DOTOQJQBSA-N 405.506 1.889 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCS(=O)(=O)C1 1358937097 IFNQELJQGGGWDC-INIZCTEOSA-N 415.519 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1358945413 FVFRCXDYFIHHQT-UHFFFAOYSA-N 400.508 1.446 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCC(O)CC1 1358947047 QBYPYXUOGSYYMM-UHFFFAOYSA-N 421.505 1.510 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CC(F)(F)C2)CC1 1359043733 GJWITKSXTHRFBN-UHFFFAOYSA-N 417.464 1.690 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359097567 QIZITRFLMIWQGB-INMHGKMJSA-N 422.555 1.529 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359216300 UABUUWWUKRJSFK-HZPDHXFCSA-N 407.540 1.348 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H]1C 1359301094 RMXXQVDVIBOSKQ-INIZCTEOSA-N 410.526 1.743 30 10 HDEE CN(CC(=O)N1CCc2c(C#N)cccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1436919358 NOVJJYBSCSZORO-UHFFFAOYSA-N 400.416 1.676 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nn(C)cc2C(F)F)ccc1F 1438590812 WDHZDSMDKIFILK-UHFFFAOYSA-N 402.398 1.891 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1449091890 YPFKDYGKDUFJNC-GIFJBRJJSA-N 418.538 1.083 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)NCc2ccccc2)s1 1451842947 GGVNBIBAMNJPMZ-UHFFFAOYSA-N 421.544 1.530 30 10 HDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 1454122452 STDYNKOQHPNURO-NRFANRHFSA-N 405.502 1.220 30 10 HDEE CN(C)[S@@](C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 1454151458 IWQWOMBPTLQASN-HPGBDJQBSA-N 400.460 1.945 30 10 HDEE CCOc1ccc(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)nn1 1460484698 GLMVJWGUFSYIMO-UHFFFAOYSA-N 401.492 1.343 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)Nc2sccc2C#N)C1 1460560325 KWEPUKLOISTLGF-UHFFFAOYSA-N 419.507 1.370 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C[C@@H](O)COc2ccccc2C#N)C1 1460874743 GYBSGZBPMKWRHJ-UTKZUKDTSA-N 405.495 1.650 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(Cc4ccc(S(N)(=O)=O)cc4)CC3)n[nH]2)cc1 1462410303 CGITYLCWSKJCAV-UHFFFAOYSA-N 422.514 1.918 30 10 HDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc1Br 1462996450 DKWAVYXRVBAWCQ-SDBXPKJASA-N 405.295 1.530 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2nc(C(=O)N[C@H]3CCN(O)C3=O)cs2)CC1 1468373567 PPMZVDMJZLYKHE-LBPRGKRZSA-N 410.496 1.978 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)/C=C/C(=O)c1ccc(C)cc1 1468774517 CPDWZIXALAGHKA-IVFUDNFBSA-N 404.488 1.703 30 10 HDEE O=C1C[C@H](CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 1470516619 FBWGYMSATSNNAW-BIIVOSGPSA-N 409.277 1.935 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1470591090 JDRUUNXBRMGZHJ-HRCADAONSA-N 407.515 1.741 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1473864585 BCSIIHCXCIMPEN-LJQANCHMSA-N 403.548 1.659 30 10 HDEE C#CCOCCNS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1475130880 DRTIBDVZAWAROV-UHFFFAOYSA-N 401.282 1.652 30 10 HDEE Cc1noc(-c2ccc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)n1 1478393564 AYLJBAVUZIPGAB-YJBOKZPZSA-N 401.448 1.125 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NC)C1 1507560524 KGCHQRDZPWYIJG-OAHLLOKOSA-N 412.494 1.772 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507580961 OMMFNOHLJHCYJK-GOSISDBHSA-N 417.535 1.885 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1cnnn1C 1507647432 BQOUHNQDSFWZLV-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1507652342 HIQBKXVEZPQCDE-HNNXBMFYSA-N 400.483 1.217 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507672020 SVNCYCVJGZSXMC-QGZVFWFLSA-N 405.568 1.611 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1COCCO1 1507701335 DCQOOWCGOFXNHR-MJGOQNOKSA-N 400.454 1.976 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCCn3ccnc32)n1 1507716083 GPGDIYIXEKVHEJ-SFHVURJKSA-N 408.510 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccnc2)CC1 1507740888 GZQGXDOYDVMGTL-LJQANCHMSA-N 408.506 1.733 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507755698 BYXIWZYXXFDKGJ-ZWKOTPCHSA-N 407.584 1.728 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1507773643 UVYRZAYFWDEKOO-WOIUINJBSA-N 400.571 1.800 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCc2nccn2C1 1508041476 DFHSJXCHTBDIFK-QGZVFWFLSA-N 413.526 1.498 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)c2cc[nH]n2)C1 1508111199 DJJSDCPUQOBOTM-KRWDZBQOSA-N 407.478 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1508125349 QTMLJTMVVIZIDU-FUHWJXTLSA-N 403.527 1.822 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)N1CCOCC1 1510027718 AZQKDIPKZXYSEC-UWVAXJGDSA-N 410.522 1.745 30 10 HDEE Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1510498696 BHXSWGVVWVTBTJ-KRWDZBQOSA-N 408.422 1.672 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@H](C)O1 1512409136 ONBDBUGQELPTIM-STQMWFEESA-N 404.421 1.812 30 10 HDEE CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccccc1C#N 1515923619 AFMXDSYEXBFATM-FQEVSTJZSA-N 406.486 1.568 30 10 HDEE CN(CCC1CC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1517280431 FDOFNPRIXAPABI-CWFNNOHCSA-N 400.483 1.892 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1517610836 ZIPMLAIGNMCYBY-GOSISDBHSA-N 407.478 1.623 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1519698614 XKBMNWSJIJSOPN-LJQANCHMSA-N 407.492 1.239 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)C1=O 1531495132 AZCYQDVMIJCRDF-UHFFFAOYSA-N 413.284 1.108 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)ccc1F 1533282261 XTDLUQUPMNJAOU-UHFFFAOYSA-N 424.454 1.647 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1539149962 XYKXMCMWSYOJOO-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1539230459 HUEBUGVQKKWCLH-DLBZAZTESA-N 418.523 1.043 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc(CC)s1 1539237228 ALUOIGBFCISPPW-FQEVSTJZSA-N 414.535 1.854 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)CC=C)CC1 1539454244 KGNJNVNJODNVAV-UHFFFAOYSA-N 405.568 1.367 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2(OC)CCC2)CC1 1539459921 SJZANHBGWWNHOV-UHFFFAOYSA-N 411.554 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCSC)CC1 1539484054 AQFKAVDGAVFCDC-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539887743 GROSZUDQJCVZFN-IAGOWNOFSA-N 409.556 1.466 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539997496 OBPJMBKWIBOTQW-UHFFFAOYSA-N 412.498 1.276 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1540169881 KATUIVSWPGOFCQ-CQSZACIVSA-N 424.552 1.294 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CC)CC1 1540799722 RSJBKMZZMYDGEO-AWEZNQCLSA-N 423.963 1.953 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCOC2=O)C1 1540882790 OLWJMPLWAKSGRR-HNNXBMFYSA-N 406.487 1.040 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCN2CC)C1 1540890437 FBRIJHOZWZAINN-RCCFBDPRSA-N 402.543 1.885 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 1541988905 BRNXUQVJVNFKAU-NRFANRHFSA-N 410.526 1.978 30 10 HDEE Cc1noc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1543410149 HMANSBOXUKVEGQ-INIZCTEOSA-N 418.523 1.963 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1545058430 FUKHRLALPPLALG-INIZCTEOSA-N 412.494 1.726 30 10 HDEE C[C@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCC(=O)N(C)C)CCO2 1545150403 ATMKGJGHMCGKIT-OPAMFIHVSA-N 424.505 1.679 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1552681868 SMCDMKDJSDYJPI-DLBZAZTESA-N 424.461 1.799 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CCO1 1554442496 AZVYDMBDMXVDGL-QGZVFWFLSA-N 410.478 1.073 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(C(C)C)n3CCN/C(O)=C3\N=CC=CC3=O)C[C@H]21 1555758361 TUIGVAMZZWGCRN-WBLQZWKMSA-N 414.510 1.647 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)c1 1557101953 DWNDZKJFJVLJHL-QGZVFWFLSA-N 403.391 1.600 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1cc(C)ccc1C 1557387587 WBNQUMCEVLLUEQ-UHFFFAOYSA-N 408.520 1.775 30 10 HDEE C=C(C)[C@H](CC(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1)OCC 1557595909 WYGGKRIPNGVDFE-IBGZPJMESA-N 409.552 1.480 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC)(N3CCOCC3)CC2)cc1 1557822961 NKMSJHKGEKZNDN-UHFFFAOYSA-N 419.547 1.315 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(COC)cc(C(=O)OC)c1)C(=O)OCC 1561828290 JNJOTPAKXFWRTH-HNNXBMFYSA-N 419.883 1.972 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1564847698 RHWHICZRXRUFEP-QGZVFWFLSA-N 423.558 1.004 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@]3(C)CCC(=O)N3)c(C#N)c2N)cc1 1564888726 RLQNKKPSJYAVOM-NRFANRHFSA-N 409.494 1.535 30 10 HDEE CC(C)(CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)CS(C)(=O)=O 1565005562 WACUSPNKEJZBRS-UHFFFAOYSA-N 406.552 1.893 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(F)(F)F 1565253669 QOKCIWPDVIJFBR-CHWSQXEVSA-N 408.446 1.595 30 10 HDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)C#Cc1ccc2c(c1)OCO2 1569333600 WQWFUNADFZDVEV-UHFFFAOYSA-N 402.428 1.463 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1583344016 GTMJVMQWFUWNSE-QHCPKHFHSA-N 405.454 1.967 30 10 HDEE C=C1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cc(C)ccc3C)CC2)C1 1584283448 XPZZZBNGCLHFFT-UHFFFAOYSA-N 405.520 1.315 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1)C1CCOCC1 1585149048 RDLONEGQRPZEDE-IBGZPJMESA-N 402.472 1.916 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1585660078 DEMSRTDDVWYXHF-FUHIMQAGSA-N 417.487 1.042 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)C2)c(F)c1 1587553748 RPAHCMZUWRATDP-UXHICEINSA-N 423.492 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1587621097 OJMAPEOJYYRCOY-ONSXPEOJSA-N 412.519 1.419 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1588049139 ARRGOUUIBLWYDF-QGZVFWFLSA-N 423.502 1.114 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588064187 CKRKFPFWFCCVNJ-APHBMKBZSA-N 405.549 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2nncn2C)CC1 1588750054 BGWMWYSEZULUFS-IBGZPJMESA-N 404.522 1.752 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1589069920 OVLRNEWOJYNWQN-AWEZNQCLSA-N 409.537 1.479 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ncc(C#N)cc2Cl)c1 1595800766 BEOHWVWLMBUALK-UHFFFAOYSA-N 408.823 1.310 30 10 HDEE N#CCc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1598032912 XRFGHRLUAJYRFQ-UHFFFAOYSA-N 414.487 1.740 30 10 HDEE Cc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)cc1 1612055458 DQEKKWSVXFMROZ-MSOLQXFVSA-N 415.519 1.460 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1618526748 QQRXMMDIJGTJME-MGPUTAFESA-N 406.531 1.687 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)o1 1620351379 XSHBAQHAQUBIDN-CQSZACIVSA-N 400.464 1.433 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1625019362 AXDXWLRZXZTRLS-QGZVFWFLSA-N 424.542 1.832 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCNC2=O)c1 1625037329 WTAXTEUEDGQHMW-MXVUGKIDSA-N 406.508 1.744 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1629712535 GRBSNBUMIBFNPO-HNNXBMFYSA-N 406.483 1.862 30 10 HDEE C=CCCn1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)nn1 1630300712 LVXBHRZJPWDNGQ-MRXNPFEDSA-N 419.507 1.242 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(Br)s1 1630442673 ZOIPVSBIPNIMQG-UWVGGRQHSA-N 409.327 1.496 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@H]1CC(=O)N(c3cccc(S(N)(=O)=O)c3)C1)C2 1631763536 IIQAICZHPJWTSN-HNNXBMFYSA-N 410.455 1.101 30 10 HDEE C=CCNc1ncc(C(=O)N(CCN(CC)CC)[C@H]2CCS(=O)(=O)C2)s1 1632005510 ITNLHUVLPUMCSR-AWEZNQCLSA-N 400.570 1.712 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@H](CC#N)C2)c1 1632704464 GKUFNAGTZNVCBU-MRXNPFEDSA-N 420.535 1.599 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)CCOC1 1633316789 OFFKIQPGCQVARK-SIKLNZKXSA-N 415.490 1.438 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1633679423 LWFILVCIZFXVAE-BJOHPYRUSA-N 415.443 1.242 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1634554442 ACCJYHDBIOQMJO-FQEVSTJZSA-N 417.575 1.838 30 10 HDEE NC(=O)c1cn(CCC(=O)Nc2ccccc2C#Cc2ccccc2)c(=O)nc1O 1635300364 LXQKQVXFQYMVKN-UHFFFAOYSA-N 402.410 1.476 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1635810757 USTUJFBHJDJSMU-CXAGYDPISA-N 408.501 1.104 30 10 HDEE CC(C)S(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637163373 SQTMZTJFKPKOGI-HVEKOLDVSA-N 413.540 1.713 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](CNS(C)(=O)=O)C3)n[nH]2)c1C 1637516413 MMKJHBYWOOBEBK-CQSZACIVSA-N 406.512 1.087 30 10 HDEE CCC1(N2CCC2)CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1638556715 FCKKJXXRYFCTNT-MRXNPFEDSA-N 418.563 1.981 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)cc21 1639693936 TXJIPTJHBZAQGH-GOSISDBHSA-N 423.448 1.903 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1639962743 QGTWJMAWXKXHNA-ZWKOTPCHSA-N 404.511 1.895 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccnc(-n3cncn3)c2)s1 1643545076 FDBRENSPYODAPP-UHFFFAOYSA-N 418.504 1.047 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cc2ccc(F)cc2)ccc1F 1644833407 CNWQCKVRJMGARR-INIZCTEOSA-N 410.442 1.763 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)CCOCC2)c1 1645666053 GXLPSZQPLXEZJY-RBUKOAKNSA-N 406.442 1.651 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] 1654261004 HDENSHMZJBHRSS-LJQANCHMSA-N 406.439 1.554 30 10 HDEE C#CCCCS(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1656814416 LBDZXUZVYRNIEQ-UHFFFAOYSA-N 418.563 1.285 30 10 HDEE NC(=O)c1ccc(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1657373874 NJLOFLPMRKOBGK-UHFFFAOYSA-N 402.454 1.207 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1660648439 YDORTGNZHPANPO-HIFRSBDPSA-N 406.430 1.084 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OCC 1663976064 PXMQRHYZRPWAGJ-AWEZNQCLSA-N 408.473 1.373 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 1671750957 GKDWOZNHPLZTMK-UHFFFAOYSA-N 417.528 1.305 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1 1684798028 ZCNNPXFHKBDJRT-SFHVURJKSA-N 415.538 1.579 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1686368366 GVLPWKALSUGRQJ-UYAOXDASSA-N 419.497 1.571 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@H](c3nc(CC)no3)C2)n1 1687745239 FGMRGARMHQIBBO-JKSUJKDBSA-N 400.483 1.956 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1689839017 BRIQJBONUPXSTH-BBRMVZONSA-N 414.420 1.803 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1689847131 STWNSNZNHHNLKC-MRXNPFEDSA-N 404.478 1.473 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1689928472 OUZOEWWMNRWRED-GOSISDBHSA-N 424.480 1.744 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690672885 GUFHTCRRONQIEG-SFHVURJKSA-N 419.489 1.619 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1692869917 HMDSXNAYRBFEBS-SJORKVTESA-N 404.515 1.012 30 10 HDEE CCc1nnc(N2CCC([C@@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1694679501 IPMGZKPUCWCHEE-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOC1=O 1698150607 ONBSXFMEIRYGOQ-OXJNMPFZSA-N 420.514 1.974 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCc2ccco2)CC1 1698489492 VMBTXYVLZIAESM-UHFFFAOYSA-N 411.466 1.163 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705481786 MTJFLRFWFWOIMN-NVXWUHKLSA-N 417.535 1.836 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OC)CC1 1705507631 AZUMJFJSNHABQT-UHFFFAOYSA-N 404.515 1.888 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705563785 FNJNHDBDPJODPM-CVEARBPZSA-N 405.524 1.335 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@H]1CCC(=O)N1 1705625761 VVGODGVWWARWMX-QGZVFWFLSA-N 405.437 1.793 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(SC)cc2)CC1 1705638204 BZOXYHRXUJAQRV-IBGZPJMESA-N 424.574 1.949 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1705639996 AWVSXPPMRBFMRP-SIKLNZKXSA-N 401.555 1.960 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@](C)(O)CCOC 1705666921 GEIMLIXKLZEDBG-NHCUHLMSSA-N 405.543 1.976 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705681166 OKKWXAVMAMWLQS-RWMBFGLXSA-N 403.277 1.472 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)C1 1705695381 WDXBLFVMFNVQNG-QAPCUYQASA-N 418.542 1.456 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)C(=O)NC)CC1 1705767949 UYXNNSJTJCHCAX-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1705823442 LSURBGUTKBEZJI-PKOBYXMFSA-N 404.559 1.770 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1705906572 JFHOYCXLLRZLOU-UHFFFAOYSA-N 423.926 1.381 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)CN(C)C2=O)C1 1705927471 ZDLGQXBBBXKRQR-JXFKEZNVSA-N 416.551 1.893 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCCO1 1708176854 GUSAKLWIEUPQEB-HNNXBMFYSA-N 420.477 1.585 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1710986264 AIVAZVKMDRPUCP-ROUUACIJSA-N 410.478 1.289 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCC#C)CC1 1722305390 ADNWPNXRYUCPMM-UHFFFAOYSA-N 410.522 1.283 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 1722332551 MNMVXVLZFODQJA-GOSISDBHSA-N 421.567 1.793 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1722382306 XUWVXPOUAATKIJ-INIZCTEOSA-N 423.473 1.376 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1722415792 RBFOMHMJCDIPPJ-UHFFFAOYSA-N 411.506 1.792 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1722631119 DHDVUMZMZQWXDT-LBPRGKRZSA-N 414.919 1.638 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1722705682 HDGKJVRDWNUESN-CYBMUJFWSA-N 418.885 1.124 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1722709251 LQWHIKKEWCWMIW-BQASMSSTSA-N 414.510 1.883 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CC1 1722781251 DKUDNDBKIRCXFB-OAQYLSRUSA-N 410.478 1.291 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@](C)(C#N)C1 1729221119 SPCZCBRCQIDOBM-QFBILLFUSA-N 424.571 1.979 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1729935822 HUSLZHNKZQXEMU-UHFFFAOYSA-N 412.494 1.869 30 10 HDEE COc1ccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1730097767 ZHDROPPORHAFLX-ZZEZOPTASA-N 424.461 1.317 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cn[nH]c1 1730871115 TWYUJXTVPCAFSK-QAPCUYQASA-N 414.514 1.144 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCOC(F)(F)F)CCN1C1CC1 1731188313 DOLIXNHCJQCANE-CQSZACIVSA-N 422.415 1.838 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740608450 BFLRCDUMCOKRNJ-WMZOPIPTSA-N 419.526 1.692 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1740632401 QUYFYZLSMRMUGJ-OAQYLSRUSA-N 417.579 1.440 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1740683986 HVUYVFNXGUGDSN-UHFFFAOYSA-N 403.508 1.198 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1740696118 MMAUWCNBDZXEQE-LJQANCHMSA-N 409.534 1.813 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC[C@H]21 1740750488 CHMREKQVHDMMGA-UTSKFRMZSA-N 409.556 1.858 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1740764112 AFJFSCZMZKUARZ-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740791296 AOIHCMKTIHNNOK-SFHVURJKSA-N 414.510 1.694 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCNC2=O)CC1 1740867826 XHHPWHAMWSAJPY-UHFFFAOYSA-N 415.542 1.864 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1 1740969621 TUZQHNXOVHOXKX-INIZCTEOSA-N 410.478 1.169 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1748790637 KCDINIMLRUQVFO-MRXNPFEDSA-N 404.540 1.459 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCn2ccnc2C1 1748855623 FHFSEMIQRIOUAQ-IBGZPJMESA-N 402.506 1.672 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N[C@@H](C)CC)CC1 1748993519 APJJIHJXBVIYMX-SFHVURJKSA-N 409.538 1.324 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)N[C@H](C)CC)CC1 1749004048 DGJSMKVNCNNWOH-MRXNPFEDSA-N 402.543 1.672 30 10 HDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1749297435 FTFRKEIHMLIJER-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1749478843 NZALLZBRWWRKPD-OAHLLOKOSA-N 419.507 1.720 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(c2cccs2)CC1 1749676501 SHFCBIQKHKSDBS-UHFFFAOYSA-N 423.546 1.954 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2cn[nH]c2)CCOC1 1751027429 WYULWRYFXCQGMX-APWZRJJASA-N 401.471 1.013 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1cnn(-c2ccccc2)c1 1760177041 BPHZRVUWVNDKCE-UHFFFAOYSA-N 403.490 1.898 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](Cc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1760186425 NEUQYVQJEHNSLZ-RBUKOAKNSA-N 416.547 1.725 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2CC2(O)CCC2)n1 1760251678 DJESMYOZRBEPKO-UHFFFAOYSA-N 409.494 1.671 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@](C)(O)c2ccccc2)CC1 1760252239 OAFJJISNLROURA-QHCPKHFHSA-N 424.549 1.469 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCOCC 1760306090 BLNQGKBSQXYUBC-CYBMUJFWSA-N 421.361 1.952 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CCC1 1760458912 XXUQKCQRINEIQA-LJAQVGFWSA-N 412.523 1.844 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760516736 UOXUPDRUOMLFMR-OAHLLOKOSA-N 405.547 1.724 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1769783624 FRYCUEBYIICMJO-OALUTQOASA-N 423.521 1.110 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1(C)C 1770658372 OYZPKJRJRZXTAR-SJLPKXTDSA-N 424.505 1.869 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(N(C)C)CCOCC1 1771111928 ATAVCLZZHVXBDG-GOSISDBHSA-N 420.558 1.649 30 10 HDEE CN(C)[C@@H]1C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)C1 1772791214 PHNQEFHEPPRXDA-ZIAGYGMSSA-N 417.462 1.928 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cn4cc(C(F)(F)F)ccc4n3)CC2)n1 1851997460 FPYLXJXDDBTDNN-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE CN1C[C@H](C(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)CC1=O 1852919036 GAJWIPLICLPKGR-MRXNPFEDSA-N 415.453 1.928 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCC(C)CC2)c2cccn2C)CC1 1853550705 LTDFINASAHWKHK-UHFFFAOYSA-N 422.551 1.990 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCc2ncc(C)o2)C1=O 1854083060 YRKXYCJYAAGDJG-IAGOWNOFSA-N 402.495 1.542 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](C2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1855032835 HSZBRRAQSJNZAB-MJGOQNOKSA-N 405.539 1.535 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855724480 XLIOAJDLPWCPNQ-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)[C@H]1CCOC1 1856091288 ZTJURJKPXRGDSA-CABCVRRESA-N 406.504 1.972 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)ccn1 1856102338 IJDZKDBNJNTZTE-UXHICEINSA-N 411.506 1.271 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1856835892 ATBCHAGZWUJVIJ-ZWKOTPCHSA-N 401.507 1.784 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@H]1CCN(C)C1=O 1857225328 BPEQFRFWMXEKTG-RDJZCZTQSA-N 404.536 1.478 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)cc1 1857308591 KNNWWYMPPPXQFI-SFHVURJKSA-N 402.445 1.962 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 1858394046 PTOJYMSLNDBOMI-ZFWWWQNUSA-N 408.380 1.899 30 10 HDEE C=CCN=c1nc(N2CCCCCC2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632070 JFUSZHZQEXPMMB-UHFFFAOYSA-N 407.478 1.663 30 10 HDEE COC(=O)CCS(=O)(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157013692 HIYSWXMSXWRVCB-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE CN(Cc1cc(C#CCO)cs1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161941657 WPBYTSXKWOJQPX-UHFFFAOYSA-N 406.529 1.670 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC[C@H](C#N)C1 2174780753 XVRUASDFZKNWKK-HUUCEWRRSA-N 402.517 1.034 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@@]1(CO)C[C@@H]1C(F)(F)F)C(F)(F)F 2192586652 ZYPUARYWDVPIIO-WLGLDCGKSA-N 404.229 1.663 30 10 HDEE CN(CCOCc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243419429 YXQYYSGOMHOIAL-UHFFFAOYSA-N 400.288 1.403 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248053803 FODMKKCFOZJFFA-OLZOCXBDSA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248247706 SIQDDAQRYKOHPB-HJWRWDBZSA-N 418.303 1.587 30 10 HDEE CCC1(C#N)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270515071 VBJBZWFCCNPXFJ-INIZCTEOSA-N 423.491 1.712 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4CNC[C@@H]43)cc2Cl)OC1(C)C 2282305366 XXZOGTHTSHGDPO-JBLDHEPKSA-N 418.777 1.587 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@](F)(CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315428 NTJAJSOGEWHHBI-SXUIPJSXSA-N 404.338 1.463 30 10 HDEE COCC1(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)COC1 2282326932 AKGLSXLOJRGEOC-UHFFFAOYSA-N 403.331 1.049 30 10 HDEE CC[C@H](C)N1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282340279 DCZJZKXSERXNFH-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CN([C@@H]1CCCCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282346111 LPFTWXIFUIFGCI-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC3(N)CC3)c(Cl)c2)OC1(C)C 2282407784 CGOQIBLGEVGXCL-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C 2282409909 SPUUWUKEEZNEMT-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE CC[C@H](O)CN(C1CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489767 GDGIGQKVDRSBHE-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE CC(C)OC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282497504 QOKFFYPGNBCIOB-UHFFFAOYSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@]2(C)CCN2)OC1(C)C 2282500187 IRPNCKFILYMWTH-QGZVFWFLSA-N 400.375 1.609 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282601225 AIFAZPYTNOLQLO-UHFFFAOYSA-N 402.709 1.151 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282833756 JUPICUKMTGRJSC-ZDUSSCGKSA-N 401.359 1.819 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H](C)[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834737 XLZYMVPGPKNYFZ-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE CCN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282854866 WXZREAWKTOSHDW-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H]3CCCCC34OCCO4)c2)OC1(C)C 2282857720 LXDVOVQTFSEEMF-QGZVFWFLSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3nc4c(s3)CNC4)s2)OC1(C)C 2282859451 MRSXJPVUECDAQA-UHFFFAOYSA-N 413.355 1.908 30 10 HDEE CN(CC1(CO)CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282873510 MGLKPMYYXBWICR-UHFFFAOYSA-N 401.359 1.581 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H]2CCCS(=O)(=O)[C@@H]2C1)B1OC(C)(C)C(C)(C)O1 2282874162 WKXGVZKBWURGMS-UONOGXRCSA-N 405.347 1.013 30 10 HDEE CC=CC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404688 YTFSEHRDGIBHTD-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE CC(C)[C@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406408 XYNADYQARWYBNS-CYBMUJFWSA-N 403.331 1.777 30 10 HDEE C[C@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407080 GZUFVZYMUHNCBE-MWLCHTKSSA-N 419.355 1.584 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)CC1(C)COC1 2287054502 MXZZROVRVVBHHD-UHFFFAOYSA-N 401.359 1.845 30 10 HDEE C=CC[C@]1(CO)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2287755062 NVWBEXSVAKMONO-KSSFIOAISA-N 404.529 1.102 30 10 HDEE CC(C)N1C[C@@H](c2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)CC1=O 2322038178 GAIAGNASKCQTNT-JTQLQIEISA-N 406.424 1.493 30 10 HDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1O 2329056305 DEPLJKSBVSZBPL-CQSZACIVSA-N 419.507 1.683 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](O)(C#CC1(S(C)(=O)=O)CCC1)CS2 2342030980 ACMSQQXLFSUPDJ-INIZCTEOSA-N 401.550 1.815 30 10 HDEE COC1(C#CC(=O)[C@H](O)c2ncc(I)s2)CCOCC1 2363814269 HDGMSWDKHMBNTH-NSHDSACASA-N 407.229 1.549 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365200832 BUAHXQDEBBCJEY-FXUDXRNXSA-N 400.541 1.555 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365210159 HLJJZWNOEQJUIG-KFWWJZLASA-N 402.557 1.537 30 10 HDEE CCCN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCS(=O)(=O)C1 2368850613 FFFHAZMAXJLBEY-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC(F)(F)C[C@@H]2CC#N)(S(C)(=O)=O)C1 2379885006 CDQGBSSHAXYPHA-NSHDSACASA-N 407.439 1.170 30 10 HDEE CC(C)CN(C(=O)COC(=O)COc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 5990570 NMCKAFUZSPILAY-INIZCTEOSA-N 408.476 1.152 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OC(F)(F)O3)CC1 27903212 LWOFXENRDLCCFD-ZDUSSCGKSA-N 410.421 1.255 30 10 HDEE CC(C)CN(C(=O)CO/N=C(\N)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 29465501 HGRRESFQSDGOCB-OAHLLOKOSA-N 401.916 1.649 30 10 HDEE O=C1OCCN1c1ccc(C#CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 96352726 CDTQESANQXRBFU-UHFFFAOYSA-N 401.400 1.881 30 10 HDEE O=C1/C(=C/c2ccc(N3CCOCC3)s2)N(CCO)S(=O)(=O)c2ccccc21 102752906 QZVHEXJGZVHUSN-SSZFMOIBSA-N 420.512 1.805 30 10 HDEE COC(=O)c1cc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1 143186077 MSHLAJIIJSNHSH-UHFFFAOYSA-N 403.460 1.753 30 10 HDEE CCOC(=O)CS(=O)(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 405027902 JXPZVXFTFKAYMD-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SCC#N 441240587 XQBDLEIXSBMYGN-KNCCTNLNSA-N 417.487 1.666 30 10 HDEE CCc1noc(CC)c1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445642480 NNLQWMPUGBOZNA-UHFFFAOYSA-N 416.503 1.747 30 10 HDEE CCN(CC)C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 445643219 UTMPGPRBZDKKKQ-UHFFFAOYSA-N 406.508 1.040 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)c1 462491178 QRMQVKDULZPZFJ-MRXNPFEDSA-N 403.508 1.283 30 10 HDEE C[C@@H]1CC(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 466812795 LYQPVSPQRUVNIB-HZPDHXFCSA-N 420.535 1.778 30 10 HDEE N#CC1(CS(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CCCCC1 476508579 LBCWJQQFUPZRKW-UHFFFAOYSA-N 423.560 1.867 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)c(F)c1 478158492 ORJXCTAAFUHNTF-KRWDZBQOSA-N 423.491 1.611 30 10 HDEE CC(C)c1noc(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 481227123 DYBDJUIEBJDKDH-CYBMUJFWSA-N 405.480 1.480 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1cccc(Cl)c1C#N 505275838 XPANHQCEUBNZOS-SNVBAGLBSA-N 411.892 1.999 30 10 HDEE C=C(C)[C@H](CC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)OCC 506867478 ZUHQAXSIOXPVAS-MOPGFXCFSA-N 417.554 1.739 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccc(F)cc1 522388938 ZJDWKGCASQYIOL-UHFFFAOYSA-N 410.474 1.890 30 10 HDEE Cc1nn(C)c(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1[N+](=O)[O-] 522895160 MXJAYYGRPHZWOH-CYBMUJFWSA-N 400.420 1.662 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 544887287 QZOBKKQOTOQUAQ-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 549973806 OOMSQJAEBNIYCV-IAGOWNOFSA-N 415.519 1.724 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@]2(CCOC2)C1 555266798 GLROWSQWXAHVHV-FQEVSTJZSA-N 418.519 1.920 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 557276443 CZAXWHXYKKSKDK-SWLSCSKDSA-N 415.475 1.502 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccn(C)c2=O)CC1 558988891 AWPVXZMQNWXOBJ-UHFFFAOYSA-N 423.525 1.136 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 583099923 CNMOULHQCSSOPT-WMZOPIPTSA-N 424.480 1.565 30 10 HDEE CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 604027153 JXZFZLAJRYAHDG-UHFFFAOYSA-N 405.910 1.660 30 10 HDEE CCc1nc([C@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 610808933 HHFJYYVXKSSBSE-CZUORRHYSA-N 417.491 1.924 30 10 HDEE CCOC(=O)c1c(NC(=O)NC2(CCO)CCOCC2)c(C#N)cn1CCOC 613084591 MPMBZPOADVLUCL-UHFFFAOYSA-N 408.455 1.236 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 613980998 UCHLREJMXNOXNR-ZWKOTPCHSA-N 415.494 1.674 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 731213690 NYTCZULIMMRGTD-HZPDHXFCSA-N 408.520 1.312 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 746703293 ZEMILOYJLZSFFF-UHFFFAOYSA-N 402.476 1.615 30 10 HDEE COC(=O)CNC(=O)Cc1ccc(NC(=O)NCc2ccc(OC)c(C#N)c2)cc1 747232376 CHOJFQDUPLHNPP-UHFFFAOYSA-N 410.430 1.720 30 10 HDEE COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3C)cc1C#N 747446796 HVCXMQRVLAZALZ-UHFFFAOYSA-N 405.414 1.722 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2nc3ccccc3oc2=O)[C@H](C#N)C1 757587845 BTHRJAUGOWQTTE-CZUORRHYSA-N 412.446 1.996 30 10 HDEE CN(c1nc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cs1)C1CC1 758318559 ARMLPYMFJMNNRJ-UHFFFAOYSA-N 406.489 1.635 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CCC3)cc2F)CC1 771076141 FHEGKXFBTBXDNZ-UHFFFAOYSA-N 408.499 1.721 30 10 HDEE Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)c1 771539675 ROLUHQDFANCYSD-OAHLLOKOSA-N 413.507 1.361 30 10 HDEE C#CCN(C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1)[C@@H]1CCS(=O)(=O)C1 774035208 LIJLMQKXBICFAP-CQSZACIVSA-N 409.895 1.886 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CCS(=O)(=O)C1 774229363 WANRDTIXLZCGNS-RLLQIKCJSA-N 419.547 1.108 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 774690404 SFYKDXIHDSQALW-QZTJIDSGSA-N 414.462 1.322 30 10 HDEE COc1c(F)cc(CC(=O)Nc2ccccc2O[C@H](C)C#N)cc1S(N)(=O)=O 781034150 HUOHFJLGFFGCMF-LLVKDONJSA-N 407.423 1.954 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 783018374 RZYUFVRDXJVZOO-DLBZAZTESA-N 423.558 1.452 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 788814578 QUCGVBLVXIMEFF-HDICACEKSA-N 400.479 1.057 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 796097422 NXKJZBHWUGZORL-SFHVURJKSA-N 406.529 1.519 30 10 HDEE Cc1nsc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1C#N 798240682 JQBJDCURVOKNQD-UHFFFAOYSA-N 410.452 1.736 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 800706521 DSMSDPITZAGJGW-UNEBPCJRSA-N 421.457 1.415 30 10 HDEE COC(=O)c1ccc(COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 803218000 KJMOBABKMCAEPZ-UHFFFAOYSA-N 417.443 1.430 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 805129798 SNZNVHJRJQPNBO-YJBOKZPZSA-N 414.528 1.179 30 10 HDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812751297 QQWKTJOVOYCXJV-KRWDZBQOSA-N 405.407 1.893 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CCOC[C@H]1C(F)(F)F)NC(=O)OC(C)(C)C 883979589 QDCQXJYVSBXSNU-RYUDHWBXSA-N 410.389 1.789 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 1084036562 KEHZYJRGOINWSF-UHFFFAOYSA-N 415.439 1.932 30 10 HDEE C#CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1125883021 FIPOPVNGTYXANN-GFCCVEGCSA-N 403.426 1.430 30 10 HDEE C#CC[C@@]1(C(=O)Nc2ccc(S(C)(=O)=O)nn2)CCCN1C(=O)OC(C)(C)C 1132967441 MYWXGRUJNILMAX-SFHVURJKSA-N 408.480 1.612 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)Cc1ccc(S(=O)(=O)CCO)cc1 1135643688 YVIHZKCMRHMOGL-UHFFFAOYSA-N 418.540 1.916 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1136809906 IHPPJXMZVFEJEQ-GOSISDBHSA-N 411.433 1.057 30 10 HDEE C=CCCOCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1138032554 JQKUNXWNBVMJJU-OWCLPIDISA-N 416.540 1.366 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(CO)CCc2ccccc21 1144669237 NIVVLASUOADLPR-QVKFZJNVSA-N 413.499 1.218 30 10 HDEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 1158530654 LHUOBLFZPYXCPK-INIZCTEOSA-N 407.536 1.812 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1159769209 AYFCFIQDLOALFM-YCRPNKLZSA-N 422.481 1.775 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)n1 1160793924 ICDASQDXEAKNBK-AEFFLSMTSA-N 417.347 1.888 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 1163097574 ZSOQXFHVOMZAID-HCXYKTFWSA-N 402.516 1.587 30 10 HDEE N#C[C@]12CN(CCCN3CCN(c4ccc(Cl)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1176709990 MRAPHQWIYNHUHQ-FXAWDEMLSA-N 422.982 1.722 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC1 1177021760 FSBPWSYOOLCTSN-WMZHIEFXSA-N 418.582 1.781 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OC 1177958666 LGDYVPKGRHEWSN-KBPBESRZSA-N 400.522 1.915 30 10 HDEE CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1180990574 VZCVWOAXLZFUIT-UHFFFAOYSA-N 423.473 1.321 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@H](CS(N)(=O)=O)C1)c1ccc(Br)cc1 1230499321 UMKRWRYQEDPLST-FZMZJTMJSA-N 400.298 1.443 30 10 HDEE C=CCC[C@@H](CO)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1251325119 RSUZLOVJNMIVPC-LSDHHAIUSA-N 405.499 1.900 30 10 HDEE C#CCN(C(=O)N[C@H](Cc1ccccc1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 1252584523 JSYVZVBICBIEQU-QZTJIDSGSA-N 400.504 1.536 30 10 HDEE Cn1cc(N2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2=O)cn1 1265618404 HXDCEPOSOCBWNG-UHFFFAOYSA-N 418.251 1.308 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)cc2S1(=O)=O 1267479553 MMNBCAWIOWPRLW-GFCCVEGCSA-N 414.274 1.819 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1286276651 YCZLDJKGCGBIJF-BBWFWOEESA-N 410.588 1.467 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1286297789 DJVJFEQXYQWLKY-ZFWWWQNUSA-N 406.483 1.834 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2nc(C)cc2C)nc1 1286357902 DNOLMENWMXECTE-UHFFFAOYSA-N 406.494 1.732 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1286369298 KTUDQVFNGCCPEQ-UHFFFAOYSA-N 419.489 1.320 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCCS(=O)(=O)C1 1286376762 NQTVNZCRXTXAIZ-CRAIPNDOSA-N 416.503 1.685 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1286437571 OWXWGDRXDYBFPU-IBGZPJMESA-N 412.556 1.603 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1(S(C)(=O)=O)CCCC1 1286470119 QBZHMPOHDDOUOP-MRXNPFEDSA-N 410.540 1.573 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCO[C@H]2C)CC1 1286475696 GSOICNDMDUEAIU-HTAPYJJXSA-N 411.506 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC2CCOCC2)CC1 1286492521 HQSJYQAHEMZIAP-LJQANCHMSA-N 415.538 1.912 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286619706 CQQQVWYLMNBCCS-XJFOESAGSA-N 403.936 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@H](C)O[C@H](C)C1 1286791668 YSPNENYHVCAUNN-RVKKMQEKSA-N 413.478 1.706 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2COCCO2)C1 1286799334 UUXPQVYBGUTESU-HZPDHXFCSA-N 414.466 1.122 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)C1CCCCC1 1292234402 NCCCJQUXWZCMEH-QQXKLLMISA-N 403.523 1.522 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1294723173 OBVCVJHHMQIZFK-UHFFFAOYSA-N 416.478 1.809 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2[C@@H](O)C(F)(F)F)s1 1295344840 VOYZJVJGMCCFRY-SMDDNHRTSA-N 412.455 1.669 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@@H]43)n[nH]2)c1C 1299144994 VMCBWCVPBFOMPN-IRXDYDNUSA-N 419.507 1.104 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300292947 MMRROMMOVLHGGL-CABCVRRESA-N 405.499 1.824 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300413468 UYEUXGGAZASYSM-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300423871 AHOXJGYCGBIVCA-UEXGIBASSA-N 406.527 1.972 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)NC(C)C)CC1 1300710923 QEEJMKDETXIZFP-IEBWSBKVSA-N 416.570 1.477 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1300990792 IDHYQMVXASQSIY-DLBZAZTESA-N 418.542 1.565 30 10 HDEE C=C(Cl)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1301060993 OQJCBZQGPTXGGA-MRXNPFEDSA-N 421.951 1.057 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301176789 LDZPABFNNWNJKB-OAQYLSRUSA-N 421.509 1.979 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1301196702 IAXWVZUAEKIHDM-ZDUSSCGKSA-N 406.503 1.242 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1301370465 DCLKVBVHQBXRJW-UHFFFAOYSA-N 407.540 1.517 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3cccc(OC)c3)C2)cc1 1302003367 ONIRNUFPZVOHIC-FQEVSTJZSA-N 415.515 1.946 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1 1304181091 AIEXJXJRTBQTPH-IBGZPJMESA-N 415.494 1.602 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2nnn(C)n2)cc1C 1304378671 FFKDJGBNUXWBNT-LJQANCHMSA-N 424.444 1.161 30 10 HDEE C#CCN(C(=O)NCC[C@@]1(O)CCCOC1)C1CCN(C(=O)OC(C)(C)C)CC1 1312945680 BYKDRGAXILDQHM-NRFANRHFSA-N 409.527 1.962 30 10 HDEE COC[C@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1)OC 1315804530 IFNPFDQCZGXBAK-SJORKVTESA-N 424.461 1.990 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1316323270 BAOYDLXURNSTOJ-SFHVURJKSA-N 410.478 1.291 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1316528762 ZIRRDVXQABOBKH-BONVTDFDSA-N 422.358 1.588 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)C1 1342263164 MPGRIMKYDARUQG-FQEVSTJZSA-N 415.538 1.706 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1 1358985106 PLBBKPRCOLLUNY-QGZVFWFLSA-N 414.535 1.297 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1359008310 LVPBCIFTGDEEOA-SFHVURJKSA-N 414.554 1.724 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(C)c1C 1359027827 XMOBRUOJYZKVQV-WMZOPIPTSA-N 402.499 1.178 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359120857 HKFRFASIEZOZHX-HNNXBMFYSA-N 400.487 1.209 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1359126103 GAJIINAFTRMHDP-UHFFFAOYSA-N 418.498 1.186 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1359149201 QZSYUOJEWCIBSY-GFCCVEGCSA-N 406.874 1.815 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2C)C1 1359297943 HMPIWLCQDVEECM-IBGZPJMESA-N 419.489 1.924 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOC 1359309834 FOACFBYXCNKQHG-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1 1441888688 RAQGQWUDVWUWEZ-QGZVFWFLSA-N 400.479 1.274 30 10 HDEE Cc1nc(-c2ccn(C)n2)sc1CC(=O)N(CCC#N)CCN1CCOCC1 1442500582 KKEUAGBYTHLTRC-UHFFFAOYSA-N 402.524 1.469 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)Cc2ccc(Br)cc2C#N)CC1 1443545773 DXEVSRZTQYQBIL-UHFFFAOYSA-N 421.295 1.060 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccncc2)C(=O)OC)c1 1450210403 GOHDLWAMRXFWCQ-SFHVURJKSA-N 400.456 1.393 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCc2ccnc(O)c21 1454232966 JJTLRNGJBUTSKO-UHFFFAOYSA-N 400.460 1.585 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(=O)OC)C2CCCCC2)cc1 1454555538 INXWGQGVIFHXNL-GOSISDBHSA-N 406.504 1.697 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCO[C@H]([C@@H]4COC(C)(C)O4)C3)CC2)o1 1455472955 UBWGSZBTFNQRLJ-IRXDYDNUSA-N 404.467 1.450 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@](O)(CN(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 1467711675 TVLZXGSIDQRTDL-JOCHJYFZSA-N 402.344 1.823 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1ccc(C#N)cn1)N2C(=O)OC(C)(C)C 1468690920 MXHQSKRKTSQDRT-LUKYLMHMSA-N 414.462 1.757 30 10 HDEE C=CCOc1ccc(CNCCC(=O)N2CCN(c3ncccn3)CC2)cc1OC 1473973679 AIJVGKHXURQEBS-UHFFFAOYSA-N 411.506 1.879 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1475461063 QFHFNPZFEZTRED-LLVKDONJSA-N 423.318 1.513 30 10 HDEE C#CCn1cc(CNS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cn1 1475476759 DCZNVFOFTZYUEU-GOSISDBHSA-N 416.503 1.594 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@H]3CC[C@@H](O)C[C@H]3C2)c(C#N)cn1CCOC 1476379333 DDQJIOMAESDDML-IJEWVQPXSA-N 404.467 1.808 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1Cc1cnnn1C 1504875353 BPNYMLOUJIWIIJ-LJQANCHMSA-N 422.493 1.831 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)CCO1 1505326440 XXTCSQIHYBLFHK-LBPRGKRZSA-N 402.377 1.056 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1507515408 ULALXXDRPUJKNX-INIZCTEOSA-N 412.494 1.694 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)C(C)C)CC1 1507736165 GMHVGCLTCBGVCP-UHFFFAOYSA-N 423.521 1.078 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1508163642 WEAHAJPDPCUEPB-CABCVRRESA-N 400.570 1.572 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1509037405 BJDSBLJJXSCSDD-KRWDZBQOSA-N 402.524 1.991 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1512431961 SVZNMDFECSPELD-STGLLQLASA-N 411.466 1.415 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1512538218 CJBXQCGQHFMSPU-GDBMZVCRSA-N 401.492 1.477 30 10 HDEE CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1513281327 HQTOUFCTRPKVNX-MSOLQXFVSA-N 417.558 1.609 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1513970260 DRNRTKWWVIBUGN-VQIMIIECSA-N 423.521 1.252 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOC[C@@H]1C 1519409718 ODYANYGQCWKYAL-XSLAGTTESA-N 406.531 1.319 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CCO1 1521136424 FJDJUHQTLWWFQN-KRWDZBQOSA-N 424.436 1.760 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CCC1 1522313025 NDDZGSMYAYYRPB-DZVNLGKHSA-N 403.523 1.794 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCCN1C(=O)c1cccc(C#N)c1Br 1528515681 MAYGZZILPLYOKN-GFCCVEGCSA-N 400.298 1.865 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](C(C)C)N3Cc4ccccc4C3=O)CC2)c1C#N 1529119025 IBORRDDDJDJZKB-FQEVSTJZSA-N 420.517 1.929 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1536588130 GGLNSCNSHQBJJA-UHFFFAOYSA-N 421.280 1.484 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCN1CCCS1(=O)=O 1539311689 XDTRIMIUGUMPCP-UHFFFAOYSA-N 415.494 1.583 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN(C)C2CCCC2)CC1 1539453404 KDCWWXOGSYFCFJ-UHFFFAOYSA-N 407.566 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(N)=O)C1 1539615197 HBBGSYBHXOVDRI-XSLAGTTESA-N 421.542 1.685 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1539744700 TZFYIOUXYGFVIK-SFHVURJKSA-N 402.543 1.887 30 10 HDEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1539811995 KPPFPVXQMLKJDZ-UHFFFAOYSA-N 422.961 1.937 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)CC1 1539828348 IJGNQRSHVSZFMH-CQSZACIVSA-N 408.528 1.892 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1540779937 HSZADZWOIKAGRU-FOIQADDNSA-N 403.483 1.944 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540867252 PQSJULIASLQRQK-SFHVURJKSA-N 416.489 1.846 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1540871884 WMNMIMUQSXDIJZ-UHFFFAOYSA-N 407.522 1.977 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC3(C2)OCCO3)C1 1540882119 BZGMTDLTDGYZOH-IAGOWNOFSA-N 419.526 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540901706 MKRQCTIMAXFLSK-UHFFFAOYSA-N 409.556 1.497 30 10 HDEE NC(=O)CCNC(=O)c1ccc(F)c(NC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1542854467 DDBZLKXYPTWSOV-BAQGIRSFSA-N 401.369 1.791 30 10 HDEE C#CCN(CC(=O)N[C@H]1CC(=O)N(CCOc2ccccc2)C1)C(=O)OC(C)(C)C 1544464043 DUTPPXDQBJJHTK-KRWDZBQOSA-N 415.490 1.653 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](OC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F 1544944967 APOYJMJAFANRCV-SSDOTTSWSA-N 407.304 1.659 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1554184184 DTBAFVOGUGZGGY-UHFFFAOYSA-N 414.420 1.568 30 10 HDEE COCCC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1555416001 AMLFKAQACJMGJL-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE COc1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ccc1OCCN(C)C 1557063399 NJDJJVMNFXYTDV-FMQUCBEESA-N 402.451 1.491 30 10 HDEE O=C(c1ccccc1O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1559616205 VAIORCKWDIASOS-UHFFFAOYSA-N 403.438 1.450 30 10 HDEE CS(=O)(=O)[C@@H]1CN([C@H]2CCN(c3sccc3C#N)C2=O)C[C@H]1C(F)(F)F 1559995073 SCHPBRUICIOJRS-GRYCIOLGSA-N 407.439 1.632 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CC1 1560083889 CGDSFFASAWVPDF-OXJNMPFZSA-N 404.536 1.778 30 10 HDEE Cn1nc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C(F)(F)F 1564530472 CXHFYKSRAYXKAH-CMPLNLGQSA-N 416.404 1.997 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1)c1ccc(Cl)cc1 1564997398 JEFWADCJNUSYST-QGZVFWFLSA-N 413.927 1.708 30 10 HDEE N#C[C@@H](NC(=O)CCN1C(=O)CCNC1=S)c1ccc(OC(F)(F)F)cc1 1566180791 BALDIDLUXOKAQW-GFCCVEGCSA-N 400.382 1.763 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](N4CCC4)[C@@H](F)C3)C2=O)cc1 1568543229 DWBMRMKKZFNUMQ-RCCFBDPRSA-N 413.453 1.408 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1570077484 OJHZWYNLFOARAE-FQEVSTJZSA-N 412.450 1.839 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1570662109 QUEYUXHAZQJDBQ-KRWDZBQOSA-N 419.547 1.709 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)cc1S(=O)(=O)NCC#N 1570784228 IOWHCDBMYWUPMW-INIZCTEOSA-N 419.507 1.020 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1583958260 ZQYAGVRSBXNRPQ-STQMWFEESA-N 407.433 1.484 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1587561125 BFSLFCVRNPXIJK-XYJFISCASA-N 418.567 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1587626553 MAMBYKJZNIHGNJ-NVXWUHKLSA-N 415.519 1.302 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCn1cc(CO)nn1 1587673767 RTMVHAAZAINLHL-KRWDZBQOSA-N 409.494 1.798 30 10 HDEE CN1CC[C@](Cc2ccccc2)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1=O 1587910317 JQRUKHVZAQIJGW-HSZRJFAPSA-N 403.486 1.693 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1588078542 ILRPBLVOVKHGGU-QFIPXVFZSA-N 417.473 1.009 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnn(C)c1C 1588112860 BZJKDZLGFGUNEI-UHFFFAOYSA-N 402.458 1.879 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1588646224 HPWOJMIAJZYXDG-KRWDZBQOSA-N 423.583 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cn[nH]c2)CC1 1588913259 FBJTWXFGKHYXCT-UHFFFAOYSA-N 404.478 1.272 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCn2nc(C)nc2C1 1593695974 JZWKMFSDFKJGPR-UHFFFAOYSA-N 416.530 1.709 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595500945 GYUBDAODRUOBMA-DLBZAZTESA-N 411.462 1.924 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C)CC1 1595529943 NJTTXUBGWAPWBC-UHFFFAOYSA-N 407.482 1.000 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCC2)CC1 1595830415 BFHJENXVNWLCBF-GOSISDBHSA-N 423.583 1.795 30 10 HDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1595896403 ZVQHWVVJACQOAM-OAHLLOKOSA-N 411.535 1.747 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC[C@H](N3CCNC3=O)C2)cc1Br 1603044292 AODQDUSXSCDIJQ-ZDUSSCGKSA-N 407.268 1.716 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCOC1 1607762290 RXKTYKQUAGTVEG-SQWLQELKSA-N 419.865 1.506 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1611495736 AXYDSQYBTZSVDD-CYBMUJFWSA-N 416.459 1.065 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1612576100 SHLTXADOCINUCJ-HUUCEWRRSA-N 411.510 1.621 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(N(C)C)cc(C(F)(F)F)c2)CC1 1615209695 SWVJDGZKSSDOKS-UHFFFAOYSA-N 410.440 1.669 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1619553112 DCQMWEJMTCNNJN-HNNXBMFYSA-N 412.494 1.583 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)CCC1 1620615519 XRQOSMIKGWNGCQ-HSZRJFAPSA-N 410.470 1.456 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)C2CCOCC2)c1 1624247653 MREFNOUYNRGKRX-GOSISDBHSA-N 407.488 1.572 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(-c4ccc([N+](=O)[O-])cc4)[nH]n3)CC2)c1C#N 1625299469 JFTUKPZZPONIQI-UHFFFAOYSA-N 420.433 1.861 30 10 HDEE CN(CCCC(=O)N[C@@H](CC#N)C(F)(F)F)C1=NS(=O)(=O)c2ccccc21 1626359164 BBCIOVFQYBTQFK-ZDUSSCGKSA-N 402.398 1.808 30 10 HDEE C=CCC[C@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1627752603 RRJCWVYLOZJTHE-VBKZILBWSA-N 414.474 1.976 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1628900578 IAFWKMNNNQWVCL-MSOLQXFVSA-N 420.485 1.810 30 10 HDEE CCCN1C[C@H](CNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 1636295333 RVXHIOHGPSZRHA-INIZCTEOSA-N 423.521 1.816 30 10 HDEE C=CCC[C@@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OCC 1636822300 MUBOOFFEJNKJSG-CQSZACIVSA-N 407.471 1.698 30 10 HDEE C#CC[C@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)OC 1637692952 AUENABPZVASBJZ-SFHVURJKSA-N 418.446 1.850 30 10 HDEE N#Cc1csc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)n1 1638699970 ROUJTTXTCBUHRO-CYBMUJFWSA-N 401.448 1.139 30 10 HDEE C#CCONC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1640315804 DBFJRPCMJCRSJG-UHFFFAOYSA-N 401.444 1.418 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@]3(COC)C(=O)OC)ccc2c1=O 1640419384 DPFNEFLAJZGOSN-HXUWFJFHSA-N 417.487 1.665 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2ccc(Cl)cn12 1641933767 YHIKMZLGIAWXKY-NSHDSACASA-N 418.866 1.238 30 10 HDEE COC(=O)C1([C@]2(O)CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)CCC1 1644653877 QGTYUBDEGHALAJ-YWZLYKJASA-N 403.504 1.895 30 10 HDEE COc1cccc([C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)OC)c1 1646326959 GHRDKHQTABISHK-IFXJQAMLSA-N 417.487 1.738 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 1650846395 VGSHVOSABAAVEW-UHFFFAOYSA-N 413.499 1.491 30 10 HDEE COC(=O)c1ccc(N2CCC(N(CCO)C(=O)OC(C)(C)C)CC2)c(C#N)n1 1651312247 BRNXPUAVCYXMNT-UHFFFAOYSA-N 404.467 1.938 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(O)(COCCO)CC1 1655634534 UPCUXWMIXNMTGL-INIZCTEOSA-N 407.536 1.855 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](c3ncccn3)C2)CC1 1655712511 HBXXXQZDWRTZAQ-QUCCMNQESA-N 408.481 1.814 30 10 HDEE C=CCC1(NS(=O)(=O)c2cc(C(=O)OC)sc2C(=O)OC)CCOCC1 1655947152 PTDXBWIONSZUAB-UHFFFAOYSA-N 403.478 1.725 30 10 HDEE N#C[C@]12CN(CC(=O)NCc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1656342688 ACHKHSFSKRGEFL-XJKSGUPXSA-N 417.409 1.072 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1661322811 AMDFLBJGULUURA-QWHCGFSZSA-N 400.526 1.673 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 1661950990 HIEFQCTUZFCTLD-LJQANCHMSA-N 418.563 1.675 30 10 HDEE CC(C)(C)N1CC[C@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1=O 1664668060 GEUQYGXSAXEYDV-ZDUSSCGKSA-N 400.298 1.998 30 10 HDEE C#CCOCCN(C)S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1666216937 FANVSVKKBKVOAW-LJQANCHMSA-N 408.520 1.947 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCC(C(=O)OCC)([S@](C)=O)CC1 1669104721 LBDYOOYTPCWBBP-NDEPHWFRSA-N 406.504 1.684 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1673611172 KHRCUWMBANAQDX-BUVGWWEQSA-N 417.535 1.719 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3cc4occc4s3)CC2)nn1 1673802799 VPBCGZQOCMHGIB-UHFFFAOYSA-N 400.464 1.939 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(CCNC(=O)OC(C)(C)C)CC1 1679366001 TUAKAPLNBMCOGM-UHFFFAOYSA-N 403.545 1.924 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2cnccc2C#N)CC1)[C@H]1COCC12OCCO2 1683252470 BFVRKROQNRLWFO-GOSISDBHSA-N 415.494 1.201 30 10 HDEE C#C[C@@H](NC(=O)NCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1 1683681203 MIYJDSSDGNMTGF-CYBMUJFWSA-N 415.251 1.364 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 1687097424 GUFXRHASTHBWHZ-IAGOWNOFSA-N 406.527 1.552 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(Cc3nc([C@H](C)OC)no3)CC2)C1 1687593029 GSQFXNVISNBZSO-IRXDYDNUSA-N 404.515 1.092 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)CC1 1690122350 OGNZQGKTJKCAJD-SFHVURJKSA-N 421.505 1.013 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCCN(CC)C(=O)C1 1690243800 PRKWTMJJORPIHP-QFBILLFUSA-N 413.526 1.718 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690524929 XYMNOQXDCFGWIZ-INIZCTEOSA-N 403.508 1.444 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690666957 MFIOWNMSJKTCIB-HXUWFJFHSA-N 414.441 1.417 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cc(C)on1 1690674186 RTKVHXNXERISIP-UHFFFAOYSA-N 420.477 1.752 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690724321 MBFYPJNCHSVKMG-CVEARBPZSA-N 420.539 1.110 30 10 HDEE COCC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697954673 YEMZZZOLWGJPPE-ZIAGYGMSSA-N 422.511 1.264 30 10 HDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CC2)CC1=O 1698096044 BRVLDKXSPPTXSA-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1705534055 XWJWYUSCFKKIQK-HNNXBMFYSA-N 401.515 1.273 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@@]1(O)CCOC1 1705580078 CQFHMEDOIVWJKQ-QFIPXVFZSA-N 403.442 1.824 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC 1705593543 CXTXITLENZIKFB-HSZRJFAPSA-N 424.501 1.967 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1705610354 LEQIDOBUSJPNAR-UHFFFAOYSA-N 420.564 1.178 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1705701345 BAYRQHYRFASKFC-ZMMAXQRCSA-N 414.510 1.956 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705725775 QIRSAWRVPCXLKS-DNVCBOLYSA-N 420.539 1.242 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1705725785 QSLCFMVRKZAXBF-HNNXBMFYSA-N 422.555 1.140 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705753451 APMCYVOSQBHLQI-OAHLLOKOSA-N 408.934 1.325 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1705875915 JUAGLVVPIDOMRH-INIZCTEOSA-N 410.540 1.290 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCOC1 1706656225 ONNJBPGLWOSOMC-QGZVFWFLSA-N 418.523 1.370 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1706955469 BGJBQYNVUGQFBE-IRXDYDNUSA-N 404.515 1.012 30 10 HDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1709453143 BNHGLCSXQGGLQZ-FQEVSTJZSA-N 417.535 1.849 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C1CC1 1712635872 XMMDFRNWMMPOIQ-IRXDYDNUSA-N 416.526 1.658 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CCCO)CC3)n2CCCn2cnnn2)cc1 1712879227 SQTFPVIXHVZRNE-UHFFFAOYSA-N 421.509 1.882 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(C)cc1)N(C)C 1722342704 VZMZJQIPZQSEBL-AEFFLSMTSA-N 418.567 1.569 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCS(=O)(=O)CC1 1722354702 JLRHWQQSQGQFGH-UHFFFAOYSA-N 424.473 1.156 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1722365185 CJSDJVQENFJNBA-JWIGPWBQSA-N 424.592 1.474 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1n[nH]c(C)n1 1722407783 RLKZGZBUNOEAIG-UHFFFAOYSA-N 403.454 1.050 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1COc2ccccc2O1 1722425322 VCYXIKCXOZFONT-MRXNPFEDSA-N 406.446 1.661 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1722430332 AXBZISSCVQEJCB-GOSISDBHSA-N 402.543 1.989 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722438058 YUNMZBCKXRFPRW-WOJBJXKFSA-N 421.549 1.819 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1722680986 FEPFMOMLTLYARD-QAPCUYQASA-N 413.478 1.708 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCS2(=O)=O)C1 1722711711 HJMYTJJIQSECAQ-DLBZAZTESA-N 420.539 1.427 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C)n(C)c1=O 1730817355 WDHSDDZRJANUEW-HOCLYGCPSA-N 402.499 1.653 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1740609181 LUKJQFGFOAWZJX-INIZCTEOSA-N 419.489 1.176 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1740622729 HUURCXYWMIZVRZ-HNNXBMFYSA-N 421.548 1.433 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCCNS(=O)(=O)CC 1740636215 VOKTUFMMFOJEGW-UHFFFAOYSA-N 403.483 1.486 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1740650783 NOZPFMYEZYNQCR-JOCHJYFZSA-N 416.489 1.545 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1740671951 SIIPHRHTMAPQTB-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCCS(=O)(=O)c2ccccc2)CC1 1740697278 YEVUCEKHOASWKC-UHFFFAOYSA-N 401.536 1.460 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740784590 WWOBJZMFTXZQDQ-UHFFFAOYSA-N 418.505 1.661 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1740842520 CMKTUEHWZJIALD-HNNXBMFYSA-N 404.515 1.068 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1)C1CC1 1740911820 ZRBOTUQDRKTPCB-SOLBZPMBSA-N 402.543 1.883 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1740940498 IJHFGLOHXUHGKG-DNVCBOLYSA-N 408.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1740964105 HKASOJRVUOWBMD-AWEZNQCLSA-N 400.414 1.027 30 10 HDEE C#CCCCCn1c(C)nnc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1748701687 OCKNJUZMXKCVRP-UHFFFAOYSA-N 411.535 1.782 30 10 HDEE C#CCCCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1748745621 VNGNXTWWTYTASO-UHFFFAOYSA-N 400.508 1.825 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1748772238 RIAQJXOIGCKCAV-CQSZACIVSA-N 403.556 1.566 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOCC1(C)C 1748875143 KTSTVTFGAANSQU-OALUTQOASA-N 415.538 1.186 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2cn[nH]c2)CC1 1748984194 IFCNFZBJSXGDJN-UHFFFAOYSA-N 421.505 1.683 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)Nc2ccccc2)CC1 1748988760 ANELPFHKYLCSIB-SFHVURJKSA-N 408.506 1.566 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(N)=O)CC1 1749133681 OYROMPGPFZKVST-AZUAARDMSA-N 410.522 1.947 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749408961 OTDFFPOHTLBYAE-UHFFFAOYSA-N 400.527 1.929 30 10 HDEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749417780 OWJNBMDXGXVAKC-UHFFFAOYSA-N 414.510 1.986 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749455393 URRJHLMRGILIRZ-GOSISDBHSA-N 413.526 1.486 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1749485031 NGSQLHPTFDMEFX-UHFFFAOYSA-N 411.510 1.392 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 1749669414 KGXBGNNEWIBNRO-UHFFFAOYSA-N 418.586 1.718 30 10 HDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@@H]2C)cnn1C 1751363534 DXPXFYLYQRNAFN-HNNXBMFYSA-N 404.478 1.574 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760140943 FCSFIRJVIVTBRP-LAUBAEHRSA-N 401.511 1.588 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](C)CC 1760155273 UUFRPROLQLZTMR-IAGOWNOFSA-N 411.572 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1760171443 KTANGARSQRWTJD-AWEZNQCLSA-N 407.478 1.968 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760187761 FYLXQOCHIXNPKK-HOTGVXAUSA-N 403.508 1.327 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(C)cc(OC)c2)CC1 1760257635 CCGJEQBASNEZDI-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1760277596 AKBDEBKLLSSBAV-QGZVFWFLSA-N 413.547 1.841 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760452312 KTCQAAYXPOLVPW-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)N(C)C)C1 1760544662 FAIXZNMODLWFEX-MRXNPFEDSA-N 406.512 1.013 30 10 HDEE CCc1nnc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)s1 1762826092 ROPJLJHYSSHDIP-YVEFUNNKSA-N 409.491 1.906 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1767958768 BFOQJDKTDINBKB-BRWVUGGUSA-N 406.531 1.431 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1768086914 IBVJKKIOHXPGNT-KSSFIOAISA-N 407.482 1.942 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)CC1 1770754054 AFQICVMAULLXLK-UHFFFAOYSA-N 423.521 1.676 30 10 HDEE N#CCCN1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850840727 BHTNHJHKBKRCAM-UHFFFAOYSA-N 418.441 1.432 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)CC1 1851509637 NCKYNSXUDIFFKJ-OAQYLSRUSA-N 420.444 1.830 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@H](C(=O)NC3=CC(=O)CCC3)CC2=O)CC1 1851754767 ZMWXVIKDZOQRGN-CQSZACIVSA-N 405.495 1.988 30 10 HDEE C=CCCN(C)C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1853162867 KBGHCRVQYTWIPP-UHFFFAOYSA-N 410.540 1.455 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccccc2F)C(=O)C12CCCC2 1854409936 DFPJJGZEIMLETC-UHFFFAOYSA-N 407.467 1.595 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O)[C@H]1CCOC1 1854459729 JSQFREVHSDLRSE-ZBFHGGJFSA-N 419.503 1.369 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCCc4nc(C)c(C)c(C)c43)C2=O)CC1=O 1854819540 UMNRPLUFRSRWFY-PKOBYXMFSA-N 410.518 1.921 30 10 HDEE Cc1nc(C)c(CC(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)s1 1855008939 ZMMCSBDBDAUDPI-WMLDXEAASA-N 403.552 1.740 30 10 HDEE CCn1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1=O 1855142175 KNJIXQPQMFBWQG-HNNXBMFYSA-N 406.442 1.296 30 10 HDEE CC#CCSCCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1855985782 GMVFWBMOTJTWCH-LBPRGKRZSA-N 402.460 1.395 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)nn2)cc1 1856522496 YGRCKMKWAZHEDM-VQIMIIECSA-N 404.474 1.943 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4ccccn4)C3=O)CC2)c1 1857015274 MLCFGQIFUDVHAR-LJQANCHMSA-N 405.458 1.880 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3nc4ccccc4o3)C2=O)C1 1857107488 VAVXMPAOWUQUON-MRXNPFEDSA-N 403.398 1.599 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)Cn3cnc4ncccc4c3=O)C2)CC1 1857250231 IDUZZGKTBHLRMJ-KRWDZBQOSA-N 409.490 1.455 30 10 HDEE CN(C(=O)CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1C#N 1858018596 CWMNZPVEGRMUOY-UHFFFAOYSA-N 414.487 1.591 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)C2)c1 1858298241 ITTIMOMMZYVXAO-MRXNPFEDSA-N 422.407 1.690 30 10 HDEE N#CCCN(CC(=O)O)C(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1866340661 GEBUADAGGKKMMB-GOSISDBHSA-N 405.410 1.721 30 10 HDEE C=CCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871561075 UUODSNJOSILCIP-UHFFFAOYSA-N 413.482 1.922 30 10 HDEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(=O)n(C)c(=O)n(C)c21 1873600306 GYXHKERHTLHMSR-UHFFFAOYSA-N 421.501 1.183 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)c(O)c1 1874375069 CUTPZYNHGHGDOK-ZVBGSRNCSA-N 401.423 1.879 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1891762490 FAMNCDRZPZIDNE-UHFFFAOYSA-N 407.455 1.776 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)CC2(C#N)CCCC2)s[nH]1 2130971349 TXTSCYREXJPKQS-UHFFFAOYSA-N 401.514 1.810 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C[C@H]3CC[C@H](F)C3)s2)OC1(C)C 2150390765 YAVZBUISEBOJOK-RYUDHWBXSA-N 404.338 2.000 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2 2239515323 JCAXRAWRCFYQIM-ZIAGYGMSSA-N 401.529 1.658 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)C[C@@H]3CCC3=O)n2)OC1(C)C 2241156391 BYNALGIKTDMFKI-JTQLQIEISA-N 400.693 1.755 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243757457 RIUCIWRTAWBAGV-CYBMUJFWSA-N 411.283 1.817 30 10 HDEE C#CC1(N(C)C)CN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 2245484078 KKHVOEDPJOWZDK-UHFFFAOYSA-N 414.550 1.789 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247828363 GQAMZRIRBHWAPT-WDNDVIMCSA-N 418.303 1.304 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247837925 AASQKBPZHYNXHR-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CON(CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2247930556 JYVLBTHREQSDHF-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2249528123 PCZYQFMLJJFZCD-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258176183 BNQDKKGRYZVYEX-ZBFHGGJFSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CN)C3CC3)cc2Cl)OC1(C)C 2267702648 JRGMYXWSDNXEBZ-NSHDSACASA-N 406.766 1.716 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2279246863 ZGESDJSHERUCIA-OAHLLOKOSA-N 400.375 1.513 30 10 HDEE CNC[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2281974563 XVNALPDNRXDHJL-LLVKDONJSA-N 400.737 1.761 30 10 HDEE Cc1csc(C(=O)N(C)CCCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282003381 BBEIQXJROVFMSG-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1sc(C(=O)NCCCCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282067040 MWYZWJMYDZLUBR-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CCCC3(CC2)OCCO3)OC1(C)C 2282179003 JZIUWVQKHNXFKO-AWEZNQCLSA-N 403.288 1.581 30 10 HDEE C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329027 GZDNSHINMQIPFU-QWHCGFSZSA-N 400.375 1.760 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N1CCCC1 2282330199 WLIYYRXORZACNS-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282331703 QXJJNWFEHNYJPC-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE C[C@H]1SCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)[C@@H]1C 2282335672 SPCXLGJMKQKPAT-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282352574 ASHNSJGDXPJKFF-RYUDHWBXSA-N 403.331 1.130 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@H]1CCCS1 2282353725 XNVWRKGMDLWYSF-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282420432 YZPDUWJASPGCLN-MFKMUULPSA-N 401.359 1.665 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H]2CCCO)OC1(C)C 2282492300 QOBRHUQHMUBHFP-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506496 STWTVHFSEXPZQQ-XELLLNAOSA-N 421.415 1.576 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282517691 BSNNPUHUMGPKCL-WMLDXEAASA-N 402.300 1.994 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NC[C@@H]2CCCCS2(=O)=O)OC1(C)C 2282522106 GIJPPUVEDZSYBT-NSHDSACASA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@@H](CCO)C3)sc2Cl)OC1(C)C 2282628354 NDNJUGKGQHFQEH-NSHDSACASA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@]2(C)CCCN2)OC1(C)C 2282842084 SFVBXTKVYBSYGX-MRXNPFEDSA-N 401.363 1.004 30 10 HDEE CC(C)[C@@H]1CNCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855541 GIXMWQUTCGRSJL-AWEZNQCLSA-N 400.375 1.666 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[S@]1=O 2282859804 QTOUQHNCGCBHTK-RUZDIDTESA-N 419.399 1.579 30 10 HDEE CC[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282870005 LFWHBCQYCNFIPJ-AWEZNQCLSA-N 402.391 1.807 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCC(=O)O 2284409014 DMBDRMKGQVZNOU-UHFFFAOYSA-N 405.303 1.430 30 10 HDEE Cc1ccc(S(=O)(=O)N=C2C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 2293143527 LFGXNWMCCCPHDV-NRFANRHFSA-N 414.483 1.540 30 10 HDEE Cn1nc(Br)c(Br)c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c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 101027140 HBBGEQSUIIBRLK-FTKCAACOSA-N 422.441 1.818 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(C)c1 109605436 CCPIGRYDPQGCMW-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)[C@H]1CCS(=O)(=O)C1 111046319 QANBRWDHJQNYGM-ZDUSSCGKSA-N 424.544 1.474 30 10 HDEE C=CCN1C(=O)C(c2ccc(OCC)cc2)=C(N2CCN(c3ncccn3)CC2)C1=O 169993461 WBCPXJWQMBDKIX-UHFFFAOYSA-N 419.485 1.963 30 10 HDEE N#CCCn1cc(CN2CCN(CC(=O)N3CCOCC3)CC2)c(-c2ccccc2)n1 216163050 ASBQCCBTIFZRPQ-UHFFFAOYSA-N 422.533 1.440 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2CCN(c3ccccc3)C2=O)C1 238876960 OHHLGDJBAAUPGA-KRWDZBQOSA-N 406.446 1.660 30 10 HDEE Cc1nc(C)c(/C(O)=N/C[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)s1 328603078 DQJFPLKFELOUMA-OAHLLOKOSA-N 416.551 1.911 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 426858848 YLAOUXKVBCLHAR-UHFFFAOYSA-N 413.503 1.384 30 10 HDEE CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427103254 JJTXZDCPSSTOMI-UHFFFAOYSA-N 423.520 1.745 30 10 HDEE COc1cc(C)cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1C 427589302 XMMWMRLAMRBXSS-AWEZNQCLSA-N 408.462 1.650 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2ccc3c(c2)N(C)CC3)c1C#N 438244612 SKKJYLYZGQWMDO-UHFFFAOYSA-N 416.507 1.154 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)CC1 463007064 DGAHBWWVSAWGPQ-ROUUACIJSA-N 418.519 1.532 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)nc1 463951074 ZYYDLJSAEATBSS-FIERZQDASA-N 424.460 2.371 30 10 HDEE N#CCCn1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 469130033 VWCWBSGUZKSGJQ-HXUWFJFHSA-N 408.418 1.724 30 10 HDEE CC(C)Oc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccn1 470151923 KTRHOWOGMCRIMT-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C(C)C)c(=O)n1C[C@@H]1CCCO1 478747768 QGYULYUBDJCOSF-INIZCTEOSA-N 414.531 1.594 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1C#N 489095539 CRQOEUQBFRCRAJ-UHFFFAOYSA-N 423.498 1.819 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)o1)c1nc(C(=O)OCC)cs1 501954187 YFVIAQNQJIVYFY-UHFFFAOYSA-N 413.477 1.996 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C)[C@@H](c3nc(C4CC4)no3)C2)n1 502048883 HLNIXXBERDDHAK-CQSZACIVSA-N 412.454 1.050 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 509002059 YSZUOHIJGQDMAI-GXTWGEPZSA-N 421.527 1.719 30 10 HDEE Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 510562661 TYEACEQIGKMGLL-UHFFFAOYSA-N 421.500 1.843 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)[C@@H]3CCCOC3)cc2C1=O 511672996 GDXVXLXZUJNEJB-PBHICJAKSA-N 400.431 1.557 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(N2CCOCC2)c1 532307187 VLVJVZUAPFFGDY-INIZCTEOSA-N 407.478 1.927 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)n(Cc2ccco2)c1C 532972167 OZYAHBLAFWBYJS-MRXNPFEDSA-N 418.519 1.923 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cn1C 540334754 URSWWFXZACAKOK-UHFFFAOYSA-N 401.492 1.109 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCCC1 546799804 ZLMOUEKQVRWJHS-UHFFFAOYSA-N 405.520 1.989 30 10 HDEE Cn1nccc1C1=CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 553747928 WPBAWYOKCDBDBZ-LJQANCHMSA-N 404.474 1.892 30 10 HDEE COc1cc(CNC[C@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)ccc1C#N 555407763 NWFRRIRZHSJMKM-SFHVURJKSA-N 422.533 1.503 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 560596806 ZQNNZIMTPNLDQO-UHFFFAOYSA-N 415.471 1.612 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 569625130 CUMWTFIGEMABJW-UHFFFAOYSA-N 404.536 1.883 30 10 HDEE N#Cc1cccc(C(=O)[C@@H]2C[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824010 DUSTYFQLYDQDFF-LPHOPBHVSA-N 416.437 1.274 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)OCCOCC)cc21 586315680 YSVZCLFMOLJVAB-ONSXPEOJSA-N 423.487 1.498 30 10 HDEE COC(=O)c1cc(OC)c(OC)cc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 611601510 AFIBVVCGEKFBQY-UHFFFAOYSA-N 415.377 1.756 30 10 HDEE COc1ccc(N2CCN(CCNc3ncnc(N4CCOCC4)c3C#N)CC2)cc1 675017202 ANSFGMWJMVVFKL-UHFFFAOYSA-N 423.521 1.428 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2S1(=O)=O 729832787 MNWQVWMIBZIUPU-UHFFFAOYSA-N 417.418 1.418 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)C)cn1 730144016 GRMXYWCKJNVRPG-MRXNPFEDSA-N 408.572 1.949 30 10 HDEE C[C@H]1CCC[C@@H](C)N1CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 730786836 SKPJLFWWFYFFMS-IYBDPMFKSA-N 406.552 1.884 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCCCC3=O)c2)CCN1C1CC1 732706942 RZIZDHUXCLJYQF-LJQANCHMSA-N 409.490 1.336 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2ccc(C#N)nc2)NC(=O)N[C@H]1c1ccccc1 734601617 WRIFOBVLWHQDLK-SFHVURJKSA-N 406.398 1.981 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(F)c2C#N)CC1 742290961 VDAJZSVLVKQQKI-CQSZACIVSA-N 408.499 1.451 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)s1 746441873 VNUMNFXRMXYSDN-GFCCVEGCSA-N 421.500 1.571 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(N=CCN3C(=O)c4ccccc4C3=O)C2=O)cc1 755553918 GSBMXSMIUFWMTF-OAQYLSRUSA-N 406.398 1.744 30 10 HDEE COC[C@@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 758226044 KJLQDQCQZOFRGR-WKSXIXGESA-N 412.512 1.408 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2COc3ccccc3O2)c1 765659838 VXYHKNWPNNRLIH-INIZCTEOSA-N 400.456 1.558 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 770895890 XZRQJCBOECHLHY-HIFRSBDPSA-N 423.491 1.781 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OCC)nc3)cc2C1=O 781856693 GHOVBRPGEZADPY-UHFFFAOYSA-N 415.427 1.381 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@](O)(CN(C)C)C3)ccc2c1=O 788206719 BYPVBPTVKBARII-FQEVSTJZSA-N 402.520 1.400 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(F)ccc2C(=O)OC)n1 788695241 HTTUKPGORALKAN-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(C)cc3)C2=O)n1 789043269 ZZFXCUDHMNTMDV-FQEVSTJZSA-N 409.490 1.788 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 789436469 QVLLBFNUURJSRL-QGZVFWFLSA-N 420.512 1.890 30 10 HDEE COc1ccccc1-c1ncc(C=NNC(=S)NCCCN2CCOCC2)cn1 792906253 QERDCQGUWHTDGL-UHFFFAOYSA-N 414.535 1.673 30 10 HDEE CNC(=O)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)c1ccccc1 797517505 NPGZUEAANYABSU-YESZJQIVSA-N 415.494 1.922 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 804970003 LBPSNWWRURHGKZ-UHFFFAOYSA-N 410.439 1.310 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCCCSCC#N)[C@H](C)O)cc1C 805326276 BXZKWZHUYDHFTR-GOEBONIOSA-N 400.522 1.521 30 10 HDEE N#CCOc1ccc(CNC(=O)N2CCC[C@@H](CNS(=O)(=O)C3CC3)C2)cc1 806715238 DENXJKKEVXGHMN-INIZCTEOSA-N 406.508 1.592 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1c(F)cccc1N1CCCC1 806779641 AQWKHPKNDJYGRM-VHEBQXMUSA-N 401.442 1.752 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807940246 GKVGDBMKENWMNN-AWEZNQCLSA-N 422.898 1.745 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc3n(n2)CCCC3=O)c1 1125489767 YLKXMQLEPZDIQR-UHFFFAOYSA-N 406.442 1.347 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@]2(COC)C(=O)OC)ccc1F 1131115357 LXEWNCKSENNGTH-SFHVURJKSA-N 414.455 1.084 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](OC)C[C@H]3C(=O)OC)n[nH]2)c1C 1137830014 MDLHWZTUHIWARO-PBHICJAKSA-N 401.467 1.869 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2cnn(C)c2)c1 1138194954 GZUYJGOSQKXKIH-DNOBIOAJSA-N 419.528 1.163 30 10 HDEE C=CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1141269163 VTBZTLZWHKWXTF-UHFFFAOYSA-N 422.528 1.583 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCc3nncn3CC2)nn(-c2ccc(F)cc2)c1N 1141569404 HLYWPGGWYBECPP-CQSZACIVSA-N 422.468 1.758 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)c1 1141948821 CPNANNFSKSFSMQ-HKUYNNGSSA-N 406.360 1.534 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(CC(=O)OCC)n2)s1 1144016112 UNHBUDCIDUABDL-UHFFFAOYSA-N 412.493 1.153 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)N[C@H](CC#N)C(F)(F)F 1156052859 HBAQHNLIKKNYDU-QGKZMRNZSA-N 411.302 1.933 30 10 HDEE CCc1cccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1166613926 DLAHTDZOVDLVQF-UHFFFAOYSA-N 412.446 1.424 30 10 HDEE COc1cccc2c1CC[C@]2(CO)NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1175723298 CYZDXDMRNRJCTI-SIKLNZKXSA-N 400.523 1.111 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc3ccccc3c2)C1 1179978322 FPORXVNWTSXUCH-SFHVURJKSA-N 418.540 1.446 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 1208474299 QENIWOSOPPEDPU-ZDUSSCGKSA-N 412.533 1.670 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1286276401 REOYWLKCFRUUIF-ONGXBYRLSA-N 401.511 1.399 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286329651 VNLUYEPWFAYADX-LJQANCHMSA-N 411.531 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC2CC2)nc1 1286416704 VTBWQCJXMZTHFY-UHFFFAOYSA-N 418.501 1.705 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCCCC2)CC1 1286485016 AKBJUWUSCWVSMH-OALUTQOASA-N 417.554 1.453 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOCC2(CC2)C1 1286514507 HVWYQSHVRQMTSZ-IRXDYDNUSA-N 406.552 1.985 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)[C@@H]1CC 1286534377 AZXGQVZNXJCECB-STQMWFEESA-N 416.320 1.626 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)CC1 1286637331 BRJZOFQBQXCUSB-CQSZACIVSA-N 419.507 1.822 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1)C1CC1 1286738566 XBUYXIWIAJENFX-INIZCTEOSA-N 423.564 1.876 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccccc2)CC1 1286785505 MJLCLDCNUIGEFN-UHFFFAOYSA-N 405.506 1.912 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCCC2)CC1 1286788335 UXAXUXNUXMRYCT-SFHVURJKSA-N 416.570 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1286821481 MKZMQYCLMIBXGK-IBGZPJMESA-N 408.499 1.678 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1286949926 QAPYIINQPRPRPW-FQEVSTJZSA-N 414.441 1.684 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1288509114 XWYVNXISOLCFRE-NSHDSACASA-N 418.303 1.961 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1288538086 JMJHAWYOJUPUNX-RDJZCZTQSA-N 418.505 1.976 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1288986310 RHHUKMRVVIJNQY-QGZVFWFLSA-N 418.567 1.572 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCO[C@](C)(C#N)C2)cc1 1289339100 KZCYEQKQNADCKT-LJQANCHMSA-N 407.492 1.431 30 10 HDEE C[C@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291092312 GOVXKTCUMUMXAV-LZICOFPGSA-N 424.509 1.831 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)c1cccc(C#CCO)c1 1292122753 XKQYAHOXWSQOIX-UHFFFAOYSA-N 401.484 1.975 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 1292611814 FGJSSEBQMUBSRT-UHFFFAOYSA-N 406.446 1.673 30 10 HDEE O=C(N[C@H]1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)OCc1ccccc1 1293033131 TVJDOCVNAMLZAM-IFLXBWGOSA-N 412.446 1.334 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1293228881 PNBLOLPTWATNNI-RTBURBONSA-N 424.505 1.727 30 10 HDEE CCn1cc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)cn1 1295905256 HJEUHZYTSQGXHL-UHFFFAOYSA-N 402.466 1.846 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](c3nc[nH]n3)C2)C1 1299733380 BSNCQAMWIUFKHF-LLVKDONJSA-N 401.268 1.891 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1300296118 RXUCZLRZLNXCMY-OAHLLOKOSA-N 414.535 1.786 30 10 HDEE C#CCCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300425781 XHHXKSNFBULGEH-LAUBAEHRSA-N 403.527 1.695 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1cccc(C(=O)NC)c1 1300541037 JWAQQEPJUKGZHV-UHFFFAOYSA-N 412.497 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnnn1C 1300578065 GQXPIWUURJJRQF-IBGZPJMESA-N 403.446 1.430 30 10 HDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)COc2ccc(C#N)c(Br)c2)n1 1300602125 LYCDZADMIBRGGD-VIFPVBQESA-N 422.239 1.872 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ncnn1-c1ccccc1 1300665341 YSTDKJQUURYYJD-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)N2CCCC2)CC1 1300695726 HIIQGVAOWFXNHL-HXUWFJFHSA-N 408.554 1.611 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)C(C)C)CC1 1300723489 UPUYZGAJXUJJGJ-UHFFFAOYSA-N 400.527 1.284 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCC2CCOCC2)CC1 1300730630 DDHJHHTXMUYGMC-UHFFFAOYSA-N 417.554 1.987 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1)C1CC1 1301327410 RQLDKYPVICHPES-CYBMUJFWSA-N 423.564 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(=O)CC)C1 1301490715 YBBMXMCMYICMFY-HNNXBMFYSA-N 400.483 1.644 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCOCC2)C1 1301554612 JPVJXDXJZPCGAN-IAGOWNOFSA-N 419.526 1.454 30 10 HDEE CS[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1302590448 GUEZZKULNLKUBG-LSDHHAIUSA-N 406.556 1.907 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCc2ccc(OC)cc2)CC1 1302924804 RXTIEPWXISALSS-UHFFFAOYSA-N 407.536 1.410 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CCCn2ccnn2)cc1 1302999873 FHUKBEVHCQCUNR-UHFFFAOYSA-N 410.507 1.964 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1306486581 RAAFJJFSPSXNDU-SNAWJCMRSA-N 424.505 1.990 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H](O)CC3(C#N)CCOCC3)C2=O)c1 1307563920 FPYMTCJWGDWZNE-PXNSSMCTSA-N 417.506 1.812 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1nnc(O)o1 1307864722 FSDMEZMPRRGYNC-ZDUSSCGKSA-N 414.466 1.577 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(cnn3C(F)F)c2)CC1 1310461580 KDBRJWCRZMJFCT-UHFFFAOYSA-N 412.422 1.049 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1320364891 KBLCGNDKAJRRMM-QZTJIDSGSA-N 416.526 1.269 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)CCC)CC1 1359044417 FSXUYEKUXLUAMM-PGRDOPGGSA-N 417.554 1.689 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359075930 KWZTXUCLFDLSNC-QGZVFWFLSA-N 423.315 1.139 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1359151179 OMHOOJNXWCQXGX-LJISPDSOSA-N 415.947 1.598 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCC(C)CC1 1359278193 LKMXJFFFDWTFKA-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N(C)CCC(=O)NC 1359293492 RHNZYRLPINOTQJ-UHFFFAOYSA-N 421.505 1.676 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)N(C)C)C1 1359319714 DUWBYDXXXQUOSA-KZNAEPCWSA-N 404.559 1.987 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 1438684814 NPBLUOWMTRERBS-QGZVFWFLSA-N 401.492 1.803 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)C1=O 1439093680 LCDIJQDCIRMDQY-RBZFPXEDSA-N 420.466 1.012 30 10 HDEE C=C(CC(C)C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1440709144 QAJJCBTYTKFGHV-UHFFFAOYSA-N 400.522 1.970 30 10 HDEE C[C@H]1CCn2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nc2C1 1441011133 MSHIMIYCFIWNED-HNNXBMFYSA-N 413.503 1.484 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1447649586 IUOJUDKTHNFLTO-OAHLLOKOSA-N 407.341 1.943 30 10 HDEE O=C(NCC#CCO)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1448433582 DIBJAMWLIGUPKT-LJQANCHMSA-N 402.447 1.053 30 10 HDEE C#C[C@H](CO)NC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(Cl)cc2c1=O 1450331223 MTSHJSCFZVKDBW-CQSZACIVSA-N 416.909 1.151 30 10 HDEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1452948075 PYXUGRPHYCABHV-HOTGVXAUSA-N 400.439 1.891 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(N3CCCC3=O)C2)C1 1456299678 OJAZAYHTFSFVDZ-UHFFFAOYSA-N 403.280 1.590 30 10 HDEE COC(=O)c1ccc(N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)c(C#N)n1 1458458804 ZLBVTBFAWMIPHM-UHFFFAOYSA-N 421.457 1.404 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CC(O)(c4ccc(Br)cc4)C3)nc12 1460514959 JSQYBJUNBRMUHD-UHFFFAOYSA-N 400.236 1.772 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(O)n(C)n2)cc1 1464338763 HQYNXODDJGFFKT-LTGZKZEYSA-N 405.480 1.971 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CC1 1464354419 DHLGJWJQBHXAEW-UHFFFAOYSA-N 418.512 1.516 30 10 HDEE C#CCN(C(=O)N[C@H](C)CN1CCN(C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1468656834 HHIXTILSZGNHBE-GOSISDBHSA-N 421.586 1.667 30 10 HDEE CC[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1469415253 KUIVWJLNJKRVBY-HNNXBMFYSA-N 407.492 1.274 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(O)C[C@H]2C=C[C@H]1C2 1469921170 IBBBTGLXBQJLOG-BJMYLWLSSA-N 417.531 1.727 30 10 HDEE C=C1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1470038026 BNTHQJKAYGPEIM-UHFFFAOYSA-N 411.911 1.352 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1COc2cc(F)ccc2C1 1470248674 HFHMWVQFAUVUBP-LRDDRELGSA-N 403.435 1.484 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C1 1471832498 FECBFWRRFSRFFS-MJGOQNOKSA-N 423.604 1.609 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)nn1 1475568602 LVASNZIBWFCHDO-UHFFFAOYSA-N 401.492 1.558 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCC)c(Cl)c2)CC1 1475997906 JJFIQZZOWKPMGD-UHFFFAOYSA-N 414.915 1.746 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 1476354334 USULXCPTYCDATR-LBPRGKRZSA-N 416.215 1.974 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1502688066 HJPJOCADUHSGOA-VDGAXYAQSA-N 405.499 1.476 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)CCO1 1504710545 BKUDUPSBXDVLJY-SFHVURJKSA-N 413.478 1.210 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504899309 DGRMZUYQCOLRPV-QRWLVFNGSA-N 413.457 1.277 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1([S@](C)=O)CCC1 1505059958 VURHCLOYMAIOLZ-YGYBTKBJSA-N 409.556 1.899 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)CCO1 1505322615 RLVFPLYRYGJBIL-AWEZNQCLSA-N 407.421 1.275 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cnnn1 1507644874 PBFFHYUMBLDRKX-UHFFFAOYSA-N 406.450 1.112 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(Br)n1 1507646346 NBKDFXJQARRING-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507653491 QUAKWNSJOOZYPX-ZWKOTPCHSA-N 401.536 1.433 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1507654342 ZCPJWNDTGOZNNV-RBUKOAKNSA-N 417.579 1.373 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCOCC1 1507760346 YHKQZIGYRBWBNA-HXUWFJFHSA-N 403.527 1.730 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1514792299 JXXFZXVAWATOHS-QGZVFWFLSA-N 407.478 1.993 30 10 HDEE CCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1515656036 IUTQRURULFAVPN-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CCO1 1517533613 FBHGMYASVLRXMY-QZTJIDSGSA-N 408.462 1.113 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[C@](C)(C#N)C2)CC1 1529650989 JXUFYSQAYOLUIA-HXUWFJFHSA-N 419.503 1.636 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1531976830 MFIBUIUMAJSHGW-OAHLLOKOSA-N 404.517 1.925 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H]1CCC[C@H](C#N)C1 1535478747 HMATWVLQSBKOLY-LSDHHAIUSA-N 408.476 1.955 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)C1CCCCC1 1536179327 HLIAUDFWQYGGFR-ZVZYQTTQSA-N 416.565 1.155 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1539148032 GIQSIBHXWQGCLW-GOEBONIOSA-N 402.524 1.473 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1539365968 TUKQNAHXWLLUCF-VQTJNVASSA-N 402.587 1.905 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CSCCS2)CC1 1539444855 WLAIWOYKDIRVEF-MRXNPFEDSA-N 403.581 1.282 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2nccs2)CC1 1539489331 LIRYCLDXOFFESB-OAHLLOKOSA-N 400.508 1.600 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)CCC)CC1 1539491483 RSIMONJQDXLAPD-UHFFFAOYSA-N 420.583 1.668 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1540005148 JSBFAIVSKVBFHT-OAHLLOKOSA-N 410.500 1.202 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)c1 1540583038 GSNYEEKDJDKSAW-UHFFFAOYSA-N 420.395 1.590 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540873685 GIQYIFMRQCYZCI-RBUKOAKNSA-N 424.549 1.875 30 10 HDEE Cc1nnc(CCCn2c(C)nnc2N2CCN(c3ccc(C#N)cn3)CC2)s1 1543100415 POPHAPHGJYLHMQ-UHFFFAOYSA-N 409.523 1.973 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccs2)C1 1555984874 DDUMZJCEVZFFTB-CXAGYDPISA-N 409.512 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)N[C@@H]1CCCN(O)C1=O 1556782299 CHZFLPXGXIKUHH-ZBFHGGJFSA-N 405.451 1.854 30 10 HDEE COc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1557688413 JRSYYSYHOYWQOO-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CCCC2=O)CC1 1557688534 JBBZEBVGFULNOW-UHFFFAOYSA-N 403.504 1.867 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1=O 1558675835 HHSVYRNZAMXABI-UHFFFAOYSA-N 414.487 1.904 30 10 HDEE COC(=O)CN(CCC(F)(F)F)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1566262384 IQJLQMPPKILBNH-UHFFFAOYSA-N 410.345 1.691 30 10 HDEE CNC(=O)C1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1584618124 SWYGFZNJCXMDCR-VMBOVVBDSA-N 411.462 1.184 30 10 HDEE CN(C)CCN1CCN(C(=O)c2cccc(OCc3ccccc3C#N)c2)CC1=O 1585369266 WDRDNNQUVMOHOO-UHFFFAOYSA-N 406.486 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1587638073 BELVGLSLWLQZPK-SWLSCSKDSA-N 407.565 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1587661556 FCWGDXIRQNUEPG-QZTJIDSGSA-N 420.517 1.912 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588044646 AFDHFYKUJLLMJK-YLJYHZDGSA-N 415.519 1.128 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCO2 1588171293 YFRGGAVSWUPIJR-UHFFFAOYSA-N 419.485 1.797 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1cnnn1C 1588253824 FVGBZOHSAHLZKN-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1588742790 UZSPQLSSNDVJTK-RBUKOAKNSA-N 411.554 1.947 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCOCC2)CC1 1588780061 GIFLESOZLOUQMS-UHFFFAOYSA-N 424.549 1.431 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCCN2CCOCC2)CC1 1588923910 QBMYBQLOBLJTCA-UHFFFAOYSA-N 414.554 1.234 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2C[C@@H]2C)CC1 1588967972 CRXFDSWRFPPIHB-WNHJNPCNSA-N 415.538 1.624 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1 1589207560 MYAYLQCFLZUNQP-PGRDOPGGSA-N 413.570 1.249 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1589599850 NUQRUQFRRRTVBS-LEWJYISDSA-N 407.559 1.788 30 10 HDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1594985869 FOWQWFXZWUZEHS-UHFFFAOYSA-N 419.551 1.730 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@@H]1CCOC1 1595497099 PXYPXSXMLHCBSB-HNNXBMFYSA-N 415.494 1.737 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1597832020 GOMWMWVUWOBIJG-KRWDZBQOSA-N 411.510 1.884 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1598063159 RAYFZNVQTIHOAX-GOSISDBHSA-N 407.478 1.708 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 1611386348 XTRQDOKOHLOCQH-OTWHNJEPSA-N 409.490 1.896 30 10 HDEE CCOCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617168293 VABTVAMNVVNRKA-CQSZACIVSA-N 416.482 1.574 30 10 HDEE N#CC1(C[C@H](O)CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCOCC1 1617845414 FNBPDYUGLUBMNM-PKTZIBPZSA-N 412.578 1.950 30 10 HDEE C[C@]1(C#N)CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCO1 1617896285 YGTKNZHSELQZPC-SFHVURJKSA-N 419.279 1.661 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1)OC 1619596278 GURVBMWQTNLGDR-IBGZPJMESA-N 414.510 1.247 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)CCC(C)C 1620111390 SYELMPNZWYWINL-NYUBLWNDSA-N 421.542 1.918 30 10 HDEE N#Cc1c(Cl)cccc1Oc1cccc(C(=O)N2CCN(CC(N)=O)C(=O)C2)c1 1626205331 FKTOYFRDPKJGJZ-UHFFFAOYSA-N 412.833 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1627905587 KCFPYFFUZIUXNA-IRXDYDNUSA-N 422.526 1.813 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](CC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1629635789 WSINIKVKWBQCHY-CQSZACIVSA-N 422.482 1.664 30 10 HDEE Cn1nc(C2CC2)nc1CC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1629710033 NRPCWIOEGBXSFG-UHFFFAOYSA-N 404.478 1.624 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1634109959 RNOQOHSAEUDDGO-FOIQADDNSA-N 406.483 1.388 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1634306715 QPXCZCVNPIZPKV-LSDHHAIUSA-N 403.545 1.776 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCN(C(N)=O)C2)C1 1634979565 KCFAUQMPWSVMIX-LLVKDONJSA-N 406.284 1.274 30 10 HDEE C=CCC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(=O)OCC 1636821888 IWWKVJZRCSSOCN-CQSZACIVSA-N 417.524 1.537 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCN(c3ccccc3Br)C2=O)nn1 1638491756 NTOFIVWIKNFYHL-CYBMUJFWSA-N 404.268 1.896 30 10 HDEE CC(C)(C)OC(=O)c1cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccn1 1638909664 HWKQTJNHWOZKBD-UHFFFAOYSA-N 416.459 1.826 30 10 HDEE CN1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C(C)(C)C1 1639136542 ZLKMSWSGPRSXCG-GOSISDBHSA-N 404.536 1.415 30 10 HDEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1639963573 ZOQOGAVAISRPHD-IBGZPJMESA-N 401.488 1.971 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(F)(F)F 1640009964 BGDOVDXJGAVBPL-DGCLKSJQSA-N 407.414 1.323 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 1643959895 WQTVXGRDHZPIQZ-ISLYRVAYSA-N 404.467 1.513 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc(S)n3-c3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1645991826 VRRKXBAOOVCEIZ-APPDUMDISA-N 406.464 1.310 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](CN4CCOCC4)C3)n[nH]2)c1C 1648037626 PVYUZSWZTAGRKN-KRWDZBQOSA-N 414.510 1.249 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1653186851 YYJYCTDHLCPPNB-ZIAGYGMSSA-N 403.464 1.234 30 10 HDEE C#CCNC(=O)C1CCN(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1653407627 VBLZHISQPVHVGK-GCJKJVERSA-N 405.539 1.864 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nc(-c2ccc(Cl)cc2)n1 1653760351 VOVCGUDWMAVLCP-UHFFFAOYSA-N 422.832 1.937 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 1654152244 MJEUIJPIZJPHPY-INIZCTEOSA-N 402.491 1.782 30 10 HDEE COC(=O)[C@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(C)c(C)c1 1654668106 AEMOQVFTMUUBFL-TZIWHRDSSA-N 400.523 1.800 30 10 HDEE C=CCCSCCNS(=O)(=O)c1cnn(C)c1I 1662987355 HLVSCNNHLVHWNC-UHFFFAOYSA-N 401.295 1.612 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@H](CNS(C)(=O)=O)C2)c(-c2ccc(C#N)cc2)n1 1671562236 QHJRQNBJIYSVIK-OAHLLOKOSA-N 416.507 1.039 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)CCOCC1 1671620270 OJIJFMJRZBTGLR-UHFFFAOYSA-N 405.925 1.735 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](Cc3ccccc3)c3ncco3)C2)c(=O)nc1O 1673944497 DZZMOLJAONLPEI-MRXNPFEDSA-N 406.402 1.359 30 10 HDEE CC(C)(CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1)[C@@]1(O)CCCOC1 1678168408 FTCZBXFNJAOFTA-OAQYLSRUSA-N 401.511 1.789 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN([C@H](C)c2ccc(F)cc2)C1=O 1679365831 PJTSCGGQYYVLQQ-RHSMWYFYSA-N 411.499 1.778 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC([C@H](F)C(N)=O)CC3)C2=O)cc1 1681300832 KHBSUOLFZJKCIA-IRXDYDNUSA-N 401.442 1.299 30 10 HDEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CCCC1 1682500740 JQVLXZWXTOHWST-UHFFFAOYSA-N 424.523 1.531 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](CCN(C)C)c3cccnc3)CC2)c1C#N 1687676210 KISZDDZKWQALDN-LJQANCHMSA-N 410.526 1.520 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CON(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1687764409 FIBSXZALAFKTDA-ZDUSSCGKSA-N 422.511 1.706 30 10 HDEE C#CCO[C@@H](C)C(=O)N(CC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1689628085 NXQZJUFMBHIXDS-ADWMHYPASA-N 400.519 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1689824052 GNAKRCBBDRVXFJ-GOSISDBHSA-N 415.586 1.246 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)CC 1689835945 VPGIGHRPENXMRO-FOIQADDNSA-N 419.551 1.814 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1689851236 NVAGBLFGDOUPSN-ZBFHGGJFSA-N 418.519 1.704 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689980036 KPNKBCHAZVWVBO-DLBZAZTESA-N 424.567 1.819 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N(C)C1CC1 1690025624 YBQCUUNOYPQBJK-INIZCTEOSA-N 410.547 1.825 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(OC)C1 1690246577 VQXFRNMZKWEUPM-PMPSAXMXSA-N 410.540 1.387 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2CSC)nnc1[C@]1(OC(C)C)CCOC1 1690677278 SYWSJSMTNHIONB-JXFKEZNVSA-N 423.583 1.953 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1690700910 ZLHZAXIEPZTHEP-ROUUACIJSA-N 424.567 1.778 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1694212095 FRPAMSUQKXHBHK-HNNXBMFYSA-N 423.521 1.823 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1695434066 ZSBGVNNCEGQMGJ-IAGOWNOFSA-N 403.531 1.410 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1696999402 FCVKVFVFCUJLMU-GOSISDBHSA-N 423.521 1.111 30 10 HDEE COCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1698026476 DMQFVNOPLIQXHP-FQEVSTJZSA-N 403.531 1.222 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1705530571 ZDQVZMSPJMOQEU-UHFFFAOYSA-N 421.505 1.025 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1705563788 FNJNHDBDPJODPM-JKSUJKDBSA-N 405.524 1.335 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cnn(C)c2)CC1 1705643160 UTKDJNNBQXEEDC-UHFFFAOYSA-N 421.505 1.403 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OC)C1 1705659405 VDWRMXVAFGXVFF-CQSZACIVSA-N 403.508 1.987 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705729304 RSTBRKSJIKTYSF-SFHVURJKSA-N 418.542 1.459 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705923896 PIUOPJCKPHTOAH-ZBBYCGENSA-N 414.510 1.784 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(C)COCCO1 1706965100 KXJWUNVZYQGCAJ-BIZBXSGISA-N 419.526 1.731 30 10 HDEE CCN(CC)C(=O)CCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1709995647 BMIMPNABRJPHTI-GOSISDBHSA-N 411.510 1.641 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1712151213 HKNCVNQPCGVUIZ-DLBZAZTESA-N 419.507 1.101 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCOCC(F)F)CCN1C1CC1 1712884334 KDZMLPZDTBYORM-CQSZACIVSA-N 404.425 1.193 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1722324135 LIDSVTQJZIWSBN-CQSZACIVSA-N 418.523 1.037 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OCCOC 1722342764 XOBZBEKNZPPHIR-UHFFFAOYSA-N 421.461 1.463 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCCc1cnn(C)n1)C1CC1 1722644118 NOGHEVKYXXHQSF-UHFFFAOYSA-N 407.482 1.842 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1722698186 VUIYBFKVTPHHEC-QGZVFWFLSA-N 410.482 1.370 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722699205 DMBUKJDSZZMXDD-AWEZNQCLSA-N 402.465 1.852 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2nccs2)nnc1[C@]1(OC(C)C)CCOC1 1722703507 ATNFGFOEZSSBGJ-IBGZPJMESA-N 420.539 1.714 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C[C@H]1CCCO1 1722705186 BWRUUWXMNJGDAG-OAHLLOKOSA-N 403.458 1.914 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1726746029 MPRGSYQPFRQJOT-STGLLQLASA-N 411.466 1.035 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)C2CC2)c1 1730022539 FQGBMYOZYCOKSN-NQIIRXRSSA-N 413.478 1.852 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1730955915 NUKYTWMSDJEWAH-JAQSECSASA-N 419.526 1.934 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC1(S(C)(=O)=O)CC1 1740607117 FBOZXHJCELLQPT-UHFFFAOYSA-N 410.503 1.777 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCN(C)S(=O)(=O)CC 1740655297 CYWOTWGDDRKRLZ-GOSISDBHSA-N 421.567 1.654 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(C)c1C 1740757625 QLXJLWMGHRFJOT-AYBZRNKSSA-N 413.526 1.889 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740759994 NIXWXAKTZTXZGO-GHTZIAJQSA-N 418.586 1.668 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740786302 YOISENBRKKULCP-MRXNPFEDSA-N 422.511 1.346 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CC1 1740825664 QZUCFMWKBLOYTN-AWEZNQCLSA-N 410.931 1.887 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740880367 GIEPYRPUGZJXQB-XGHQBKJUSA-N 421.542 1.782 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740902525 PCLNQEZVZVFJTA-ZCXUNETKSA-N 413.507 1.782 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCCN(S(C)(=O)=O)CC1)C(C)C 1740924488 UAFKYJHEDZYQGP-IBGZPJMESA-N 424.615 1.757 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1C(C)(C)C 1740964763 HYXVDZKTOIFTKZ-UHFFFAOYSA-N 412.542 1.611 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCS1 1742011995 GUSZJYJXJZNRTJ-JKIFEVAISA-N 411.553 1.195 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@H]1O 1748333294 QHWRTDALRIWZQQ-SJLPKXTDSA-N 422.445 1.522 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1748815288 OGEVVYGWYBUYCX-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1748815845 UHBYQDMHJHUTET-YLJYHZDGSA-N 422.551 1.368 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cc[nH]n1 1748915287 VTGCILPTUOSULP-UHFFFAOYSA-N 408.422 1.466 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1748929838 QJXDHOOTCBTXAI-QGZVFWFLSA-N 401.536 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCS(=O)(=O)C1 1748965179 OALSLOBIYNVGJW-GOSISDBHSA-N 417.535 1.175 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749450947 YIRILZDVTUEKOS-QZTJIDSGSA-N 419.526 1.491 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749461160 NZJHSGHKBGUYGS-KRWDZBQOSA-N 424.505 1.988 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749676493 RZTXAQJQLYIGBT-MRXNPFEDSA-N 406.494 1.294 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(CC#N)CC1 1750210350 QDMAPKFTKXBCMA-IAGOWNOFSA-N 422.555 1.684 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1750387131 RIRMFSYHAUKLKG-DZGCQCFKSA-N 414.432 1.885 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1760121218 SVKPFBPEMNXAHU-INIZCTEOSA-N 416.489 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1760121293 ULQYMIQFWOMUGI-OAHLLOKOSA-N 404.515 1.725 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1760177410 IOSKLXWFIVLRRF-UHFFFAOYSA-N 421.548 1.164 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760186338 MIKJCFLCDBYWRW-SJORKVTESA-N 408.568 1.918 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1760191028 ZPGSIVGHFVVJBK-GOSISDBHSA-N 416.551 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C1CC1 1760205905 MLVLYXJVBQSIOI-QHCPKHFHSA-N 419.533 1.686 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC)OC)CC1 1760271916 QYQRGYMDIWKNST-LJQANCHMSA-N 410.522 1.655 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](CNC(C)=O)C1 1760334667 KSJKUABRHMRMNO-LMMKCTJWSA-N 414.510 1.596 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1760361197 GWMIOTATRZGVMG-SFTDATJTSA-N 422.526 1.519 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@@H]2C)CC1 1760402562 NFDXQUQOCXRFCL-WMZOPIPTSA-N 423.583 1.303 30 10 HDEE C=CCCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1760447700 QAENONBSQAIGHS-UHFFFAOYSA-N 423.315 1.575 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(CNC(C)=O)CC1 1760526627 DKHLMUBYPCGMCP-UHFFFAOYSA-N 424.549 1.718 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N(C)C[C@H]1CCCO1 1760528025 PQJDWUMPIOCPRU-QGZVFWFLSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@H](C(=O)OC)C1 1760552823 BQJYFCOVLNRYFO-INIZCTEOSA-N 404.492 1.545 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N(C)C[C@H]1C 1760557148 BGNWPEZDAXJGMZ-OAHLLOKOSA-N 409.556 1.279 30 10 HDEE C=CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1760563320 NDRPKOSURYGBNL-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760564988 LKVHFQZJEZOUME-JXFKEZNVSA-N 420.583 1.449 30 10 HDEE C[C@@H]1CCCCN1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1762866778 VILCYWBXYVNREG-KZNAEPCWSA-N 415.542 1.613 30 10 HDEE CO[C@@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1769603833 DQSVNZFVXBEBGM-OLZOCXBDSA-N 400.405 1.937 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770365570 FQQZFGNXZSVAAY-ADSBAMQRSA-N 422.514 1.996 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1770788144 FNTNLZYOIJFCAS-KBXCAEBGSA-N 415.408 1.347 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)N1CCCc2nc(C#N)ccc21 1848589844 RQDXCJAGPCXDAU-LLVKDONJSA-N 406.414 1.878 30 10 HDEE COc1ccc(CCC(=O)N(C)C2CN(c3nccnc3C#N)C2)c(OC)c1OC 1849797680 WKAITKXTFJPPOP-UHFFFAOYSA-N 411.462 1.654 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#CCN3CCCC3)C2)cc1 1850302645 RLSKSLQXSWTCKZ-IBGZPJMESA-N 403.548 1.611 30 10 HDEE COc1ccc(-c2ccc(S(=O)(=O)NCC(=O)N3CCO[C@@H](C#N)C3)cc2)cc1 1851080818 IMIVMVLDLWSORJ-SFHVURJKSA-N 415.471 1.391 30 10 HDEE CS(=O)(=O)c1ccccc1OCC(=O)N1CCC(N2CCC(C#N)CC2)CC1 1851771039 SBYJOOADKZPGRN-UHFFFAOYSA-N 405.520 1.695 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)n2)cc1 1852072510 DTOIQLAETSLTMA-UHFFFAOYSA-N 402.358 1.455 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1852075508 HGYKAVMFVQSHDR-UHFFFAOYSA-N 405.863 1.990 30 10 HDEE CC(C)(CN1CCN(c2ccc3nncn3n2)CC1)C(=O)Nc1ccc(C#N)cc1 1852206967 MFCXXCVOHFRCMA-UHFFFAOYSA-N 404.478 1.783 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)NCC#CCN2CCc3ccccc3C2)C1 1852570628 PRAHFBSPWQJYOZ-FQEVSTJZSA-N 413.518 1.800 30 10 HDEE Cc1nc(C(=O)NCCN2CCC3(CC2)OCCO3)c(C#N)c(C)c1Br 1852980555 XKWGRBNWZHOIOW-UHFFFAOYSA-N 423.311 1.901 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)C1 1853739751 VGXFHKAVUHOJMY-INIZCTEOSA-N 404.511 1.854 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cnoc3C)C3(CCCCC3)C2=O)CC1=O 1854093252 JDFPNWCSNIFKAI-KRWDZBQOSA-N 414.506 1.891 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)c1 1854658388 PRIKTENDQJREOZ-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)Cc3cccnc3)C2=O)C1 1854881284 CWOFHIXGXBTYIA-IBGZPJMESA-N 405.458 1.562 30 10 HDEE COCc1cc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)n(C)c1 1854946330 AAFMRBSUWQNAGO-AEFFLSMTSA-N 401.511 1.222 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)n1 1854966235 CCHWUXPDYYWNDU-ROUUACIJSA-N 413.522 1.920 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cccc(OC(F)(F)F)c3)C(=O)C2)C1 1855019887 YYTSLFQYKRCULD-OAHLLOKOSA-N 410.396 1.858 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)ccn1 1855620131 DRPSJVCARMMFEN-OAHLLOKOSA-N 402.476 1.146 30 10 HDEE CC(C)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855633992 NMQIJSCIWIVYER-QGZVFWFLSA-N 403.504 1.990 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@@H]4CCCCO4)C(=O)C3)C2)s1 1856292709 ZPJZFYAVWWLXSJ-IRXDYDNUSA-N 416.547 1.824 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1856388086 AGJXQUOBPBUYBK-UONOGXRCSA-N 404.417 1.827 30 10 HDEE Cn1ccc(C(=O)N2C[C@@H](CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)n1 1856620144 SZMMITKVORBZNL-QGZVFWFLSA-N 407.474 1.824 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)C[C@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708114 PMTRTILPINNXIU-OCCSQVGLSA-N 419.450 1.725 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)CCOc2ccccc2)C2(CCCC2)C1=O 1856841310 PMOKKCCTSNVNOD-UHFFFAOYSA-N 405.476 1.292 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)[C@@H]4CCCCO4)C3=O)CC2)n1 1856970525 IWIGLOFRSGNLOO-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4ccccn4)C3=O)CC2)n1 1856976290 VEFBAVSBXJLPII-LJQANCHMSA-N 405.458 1.880 30 10 HDEE C[C@@]12CCC(=O)N1CCN2[C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1857117468 PRIIUELJBBNTRC-JXFKEZNVSA-N 400.866 1.801 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)Cc1ccc(N2CCOCC2)cc1 1866906206 MDLQYURGUPLVNO-HXUWFJFHSA-N 408.458 1.053 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576410 REFOUDQHICEIJY-LBPRGKRZSA-N 419.873 1.992 30 10 HDEE O=C(O)CCc1nnc(S)n(/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)c1=O 1873497891 CUNQPDAYUQZMRS-DJKKODMXSA-N 414.399 1.785 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(Cl)c(O)c(OC)c1 1874473039 KADSNHGTSKRUAG-QGMBQPNBSA-N 414.871 1.982 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)C2CCN(S(C)(=O)=O)CC2)c1 1890632074 HEOPTDCVSUMVDQ-UHFFFAOYSA-N 421.563 1.703 30 10 HDEE CN(C)c1nccnc1OCC1CCN(S(=O)(=O)c2ccccc2C#N)CC1 1891575951 HRFVEUMOUWMVID-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C#C[C@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1891726886 DIEKGKOKTNYWEQ-PKOBYXMFSA-N 403.504 1.812 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1892101075 CXPPRSNGPBDINA-SJLPKXTDSA-N 421.475 1.389 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2000533677 RLUOUUYYACINGB-GOSISDBHSA-N 410.492 1.391 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2012913243 WWOLEGSSZOSNPQ-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE C#CCN(C1CCNCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029354432 PPAVMYFFVXLBHZ-UHFFFAOYSA-N 403.504 1.080 30 10 HDEE C#CCOC1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108229781 GQENNEDSWCBIAR-FQEVSTJZSA-N 422.478 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@H](CO)C1 2172900809 RQGLQHOWXCRWDX-LSDHHAIUSA-N 401.529 1.608 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174782213 OCPMQOHHQYKTRC-NRRJATNASA-N 420.557 1.431 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(S(=O)(=O)CC2(C#N)CCC2)C1 2174782627 SGMLJPPBROCDOA-HNNXBMFYSA-N 401.529 1.704 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@@H]1CC(F)F 2177301822 XIRCOZXVILERMP-STQMWFEESA-N 408.471 1.653 30 10 HDEE O=C(CN1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F)NCC(F)(F)F 2195540974 NYNUPZMWFXVNNZ-RNFRBKRXSA-N 403.245 1.739 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)N1CCC(CC(=O)O)CC1 2196997692 PPMGDGRGKMXBSF-UHFFFAOYSA-N 405.517 1.479 30 10 HDEE CC(C)(C)OC(=O)NCC#CCCOc1nc(Cl)nc2c1S(=O)(=O)CC2 2225755822 XWAFFJRVJLXNAI-UHFFFAOYSA-N 401.872 1.757 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243430909 YZVFTOCLQGBOQT-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCCO1 2243703318 WFBLZLAKFSLEEB-LSDHHAIUSA-N 408.304 1.810 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255647918 FWDVVDOFVMEKPN-AEFFLSMTSA-N 424.354 1.970 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2267470151 GIXOZCZJTMFHLI-BUBHHJDNSA-N 407.388 1.234 30 10 HDEE CN(CCCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282201164 SRVDVZUUWWDANZ-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282312218 SICRLFAIKDCVFT-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282343389 PQKCUTLNJWXPDU-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CCN(CC1CN(C)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282352337 NFQCMVLUUVQYJC-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](F)C[C@@H](O)C2)OC1(C)C 2282500609 LUTDRJUJFQNZSE-QWHCGFSZSA-N 405.322 1.282 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](O)CC1 2282833428 XIBJSUIDQFPQQM-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1C[C@@H](O)C1 2282835444 UYPFHAAIUJFSNN-BETUJISGSA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CO)CC(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282846216 GIHDMHXHQOVFFM-SNVBAGLBSA-N 411.301 1.650 30 10 HDEE CCSC[C@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284368608 SGFGZDAMEMGAGL-JTQLQIEISA-N 400.331 1.687 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC(=O)O)C(F)F)OC1(C)C 2284404324 YGZWGWBXCGGNGR-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@](C)(=O)CCC(=O)O)c2)OC1(C)C 2284414738 JKFYJCNXQCYHHS-VWLOTQADSA-N 423.343 1.309 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC[C@@H](C#N)C1 2296366188 GKZBLWSRLLEAPF-STQMWFEESA-N 408.471 1.701 30 10 HDEE COCc1nnc(SCC(=O)OC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331589616 CLGXFYNWYHLVNQ-UHFFFAOYSA-N 410.452 1.598 30 10 HDEE C#CCN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2338818288 VNOXYTDMHCRCOC-UHFFFAOYSA-N 417.531 1.424 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2363642873 FSSGXQCNPWFUIC-VIZSFHNOSA-N 416.518 1.983 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2367788372 ONGZOBQZIWEFSN-CABCVRRESA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H](CC)NC(=O)OC(C)(C)C 2367807764 WTDCFXXEXLECMU-XHSDSOJGSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367832223 YLAFMJPEKJPMKD-KSMMKXTCSA-N 400.541 1.196 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2ccc(F)cc2I)CC1 2367841513 BRZJJJFMBDNAKQ-GFCCVEGCSA-N 408.236 1.515 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)Nc2nnc[nH]2)[nH]1)c1ccc2c(c1)OCO2 21079437 BYITYMYWFMJWDA-DNTJNYDQSA-N 401.412 1.218 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)SCC(=O)N2CCN(c3ncccc3C#N)CC2)no1 105286662 KUBDYHGZXRYWRC-CQSZACIVSA-N 414.491 1.659 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)N(C)C)cc2Cl)CC1 435039898 BPICDZOSVAEONU-UHFFFAOYSA-N 407.902 1.494 30 10 HDEE N#Cc1cc(NC(=O)C(=O)NCC(=O)NC2CCCCC2)ccc1OC(F)(F)F 443309220 FAIZIMLLBGRYMP-UHFFFAOYSA-N 412.368 1.960 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ccccc2)C1=O 465188721 YTLCBZVJEGKDNC-WMZOPIPTSA-N 419.489 1.764 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 466188326 JFMQGCAFQUXXKB-QFBILLFUSA-N 404.474 1.979 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 473582766 MQPGSHOFVOOREM-WIYYLYMNSA-N 414.893 1.662 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)n1 475798798 RHLLVDQSFJTHMK-UHFFFAOYSA-N 406.899 1.579 30 10 HDEE Cc1noc(CN2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)n1 483529734 IZWBBQIAODJXCA-ZDUSSCGKSA-N 418.479 1.414 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cc21 487145889 CDQADOQRFDOVMF-UHFFFAOYSA-N 410.455 1.983 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 503642349 HYIRRWYIDFAQBL-GFCCVEGCSA-N 409.273 1.931 30 10 HDEE Cc1cc(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)n2ncnc2n1 505610461 MIGHBAZCJRUKMM-UHFFFAOYSA-N 405.437 1.824 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 506654354 UMDOVMPTMHWWEV-JKSUJKDBSA-N 409.508 1.560 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C(F)(F)F 508104285 SQOIMEWKNIHKAB-NSHDSACASA-N 419.834 1.312 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 508476818 HMJIPXSOKVWDJK-STQMWFEESA-N 406.503 1.240 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 508524387 HVWXEMCADMYWBU-MRXNPFEDSA-N 407.522 1.923 30 10 HDEE N#CCCn1ccc(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 509362131 ZHBNFCNABIEKOW-ROUUACIJSA-N 407.478 1.517 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 514202333 WDTGLTVHUCGYDO-PMACEKPBSA-N 414.481 1.214 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(C)c1=O 514332256 UQBVNGYAUSUIRM-UHFFFAOYSA-N 406.463 1.850 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 519528290 GHMPFMXNEPSIEV-GOSISDBHSA-N 412.494 1.368 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)o1 532448077 HEULHMPGNSLFRI-UHFFFAOYSA-N 409.467 1.974 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2CC)c1=O 532799912 NXWZFSNGZYQTSZ-UHFFFAOYSA-N 400.504 1.035 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C[C@@H]1CC=CCC1 542246276 BZKDDSUHMZXOIV-GOSISDBHSA-N 416.547 1.679 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 549349523 BEKHSEWWXWDPBP-INIZCTEOSA-N 422.441 1.301 30 10 HDEE O=C([C@H]1CCCN(CC#CCN2CCC[C@@H](C(=O)N3CCCC3)C2)C1)N1CCCC1 560158777 AYLMHUPOEJBTDA-SZPZYZBQSA-N 414.594 1.659 30 10 HDEE N#Cc1ccnnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@H]2CCCC[C@H]2O)n1 585607559 CNZIEPWQBCPASX-OKZBNKHCSA-N 409.494 1.852 30 10 HDEE C[C@H](C(=O)N[C@H]1CCNC[C@@H]1C(=O)/C=C/c1ccco1)N1C(=O)c2ccccc2C1=O 585830922 JJOSQJHQDCQUEB-WUFZTZJBSA-N 421.453 1.641 30 10 HDEE COc1ccccc1N1CC[C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586850482 IUHSGQRNWZXKAM-MRXNPFEDSA-N 410.449 1.965 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)CC1 590067522 OAPOTRIKKIHBGE-HNNXBMFYSA-N 407.478 1.804 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(OCc3ccccc3)c2)CC1 604167948 AEFLKNZALUJOJE-UHFFFAOYSA-N 423.517 1.790 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)NCCCN2CCCS2(=O)=O)c1 608817749 JRPTZKHWWYOWQO-UHFFFAOYSA-N 403.460 1.886 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCCN(C)C3)nnc12 617413047 AKQYQSJGGZOHKM-CQSZACIVSA-N 412.519 1.533 30 10 HDEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C#CCO 703981378 ABGDFDGHVUFNFG-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCSCC(=O)OC)C1=O 729818327 PGTDGXJRAPZMSH-AWEZNQCLSA-N 420.516 1.532 30 10 HDEE C[C@H]1CN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)C[C@@H](C)O1 731904648 NXCJKKXGOCHEIR-OKILXGFUSA-N 401.492 1.826 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C(C)C)cc1 732664825 PATGKXMCOJSLPY-MJGOQNOKSA-N 404.536 1.497 30 10 HDEE COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cc1 732923164 QOIFUNUMDAGJAI-UHFFFAOYSA-N 418.494 1.806 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 733649903 FLZGEBYXAXLCKH-UPTRSRDDSA-N 421.498 1.602 30 10 HDEE Cc1cnn(-c2c(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c(C)nn2C)c1 778723834 KHTDBHCVZQGOEL-UHFFFAOYSA-N 404.496 1.756 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 783737496 LLJQJFBIHHBYFC-JSKCELRFSA-N 418.494 1.903 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)c1 786689987 QHNQLTIKUMVOQY-MRXNPFEDSA-N 419.528 1.170 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNS(=O)(=O)CC2(C#N)CCC2)CC1 790006773 KGYGRBZFDUOECU-UHFFFAOYSA-N 414.528 1.117 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 797106440 YOKLEZCMQWTKPO-UHFFFAOYSA-N 410.478 1.953 30 10 HDEE COCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802409719 YWOWDYAALQEZNT-HXUWFJFHSA-N 418.505 1.954 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)c1C 802582447 IUORFHLYJQOAFP-HNNXBMFYSA-N 403.389 1.792 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)OCc2ccc(C(=O)OC)cn2)ccc1F 803273573 OTDJFDRMNZBAAV-UHFFFAOYSA-N 408.407 1.829 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCO1 804162233 VPWANOBWPAPPIZ-HNNXBMFYSA-N 420.441 1.066 30 10 HDEE CN1/C(=C/C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 807223877 KHXIXCZLQRNVQH-OFAWCBBISA-N 423.469 1.521 30 10 HDEE CC(=O)N1CC[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 808268727 XQGQPZGWKNVDNI-MRXNPFEDSA-N 420.535 1.270 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)OCc2cccnc2C#N)cn1 813164842 YDUVKJCISNVUMJ-UHFFFAOYSA-N 403.445 1.906 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849593061 ARFDZHSFIMOKMO-RTWAWAEBSA-N 421.549 1.849 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccccc1C#N 917800195 WTSSODBTGXITPT-UHFFFAOYSA-N 412.430 1.569 30 10 HDEE CC(C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 919350704 PXDRLSJNNWNPQZ-JYRVWZFOSA-N 405.476 1.224 30 10 HDEE CCNC(=O)CCSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1083928728 JGTJUHNBWVGADE-UHFFFAOYSA-N 409.428 1.491 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(F)cc3C#N)c2)NC(=O)NC1=O 1116353756 GEZVLVWLHNOQBL-SFHVURJKSA-N 402.407 1.230 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1csc(C#N)c1 1124513757 FIIQSZGCJUUALF-UHFFFAOYSA-N 420.516 1.817 30 10 HDEE C[C@H](C(=O)N[C@](C)(C#N)CN(C)C)N1C(=O)c2ccc(Br)cc2C1=O 1128704104 VKIOLZQYXHOGQJ-BMLIUANNSA-N 407.268 1.394 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)COc1cccc(Br)c1C#N 1134143621 BTGNZZNPVVZTMT-UHFFFAOYSA-N 404.286 1.144 30 10 HDEE CN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)NC1=O 1141877970 INUJBHBUAVSPFK-MOLDEKSUSA-N 407.496 1.242 30 10 HDEE CC(=O)NC[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1142578999 JGVMGXHRWOTPII-AEFFLSMTSA-N 411.462 1.138 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccccc1I)C1CSC1 1146864655 HPNDKGOSAUBJFQ-UHFFFAOYSA-N 414.268 1.598 30 10 HDEE C=CC[C@]1(C(=O)N(C)CC(=O)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1149759117 MWILZIGCEVBSMC-OAQYLSRUSA-N 408.543 1.565 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCN(C(=O)CC#N)CC3)n[nH]2)C1 1149999470 CVQMDVFGNZELRG-AWEZNQCLSA-N 416.482 1.332 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CCN1C1CC1 1151625473 OKDHKIFJHGKXQK-GOSISDBHSA-N 401.486 1.382 30 10 HDEE C[C@H](CC(=O)N[C@H](CCC(C)(C)C)C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 1155938785 PIKDAEVCWMGKDZ-TZMCWYRMSA-N 408.524 1.300 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 1159325254 SSVGYFQSKPDVNV-OAHLLOKOSA-N 409.851 1.861 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](C)N2CCN(C)CC2)cc1 1198250368 CGCFPGZMDMPDSE-INIZCTEOSA-N 409.556 1.251 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)C1 1254566032 SBFSHPRVDQSCBN-ZDUSSCGKSA-N 406.501 1.943 30 10 HDEE C#C[C@@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccccc1 1277180401 CZKVMFFYSDRAPB-GOSISDBHSA-N 401.488 1.370 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(OC2CC2)c1F 1278610990 VNYVKMAFQBZKOK-UHFFFAOYSA-N 403.435 1.722 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1286428348 CZSNTBJCAMXKPF-PKOBYXMFSA-N 421.505 1.093 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COc2ccccc2O1 1286428593 DHXUKQWBACZCIL-SJORKVTESA-N 405.458 1.532 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1286438397 YWVXPQUSYMODRA-NRFANRHFSA-N 406.527 1.833 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286466648 LFUBKBDNJQBSSK-KNQAVFIVSA-N 411.506 1.688 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286494256 SZJSCBADNPAIAE-AOMKIAJQSA-N 417.554 1.372 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)CC1 1286564102 SVZQGVXWYKSNEJ-OTWHNJEPSA-N 405.543 1.879 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1286645633 FGTUVVXLMNRQNW-RBUKOAKNSA-N 416.570 1.881 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2ccc(C#N)c(Cl)n2)C1 1288469696 PTXQJCKUSXEIPU-UHFFFAOYSA-N 405.842 1.168 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)cs1 1290435316 NBWDMLXTUCEAIG-SJORKVTESA-N 401.540 1.703 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1298424137 DVQCCLWZDJKBSV-CYBMUJFWSA-N 422.235 1.935 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1298926911 FYDQNHDSHFLCNH-GOSISDBHSA-N 423.521 1.694 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1300306911 ACKKJHTXJRDWBM-KBPBESRZSA-N 403.508 1.553 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300393447 DLPIIZDTEVDQHI-UHFFFAOYSA-N 422.489 1.888 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1300545772 VTGAWEAVDWBLQI-GOSISDBHSA-N 403.552 1.508 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC[C@H](C)C1 1300545893 YNLVETKPSLRARC-IBGZPJMESA-N 410.566 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@H](C)C1 1300579363 UJYBJRFHQVHGCF-GUDVDZBRSA-N 418.563 1.848 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)C1 1300878038 ZMQMNLIFWHLOHH-PBHICJAKSA-N 402.886 1.911 30 10 HDEE C=C(C)Cn1c(N2CCN(CCOC)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1300970291 NXANYZHYHVFRHW-FQEVSTJZSA-N 407.515 1.190 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1301222087 RWTUVCJWGQXLIZ-QGZVFWFLSA-N 417.535 1.882 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCCOC)C1 1301223020 LHRMOQWIHRHJEF-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301491596 UEXVGALXBDEMOD-IAGOWNOFSA-N 413.526 1.624 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC=C 1301497086 NYRVGQAKVMZNKK-UHFFFAOYSA-N 407.478 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCOCC1 1301596333 LWGSAYVCWGXTPS-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE CC(C)CN1CCC[C@@H](Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)C1 1303172339 DZFOZPIZPASXMO-QZTJIDSGSA-N 410.526 1.832 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1303639813 GSMMVAWPFBJGOO-RHSMWYFYSA-N 415.519 1.997 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCC1CCOCC1 1303822349 AJPZJYWPENMRED-HNNXBMFYSA-N 424.571 1.835 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1303946858 ICRHJMGASMBSHV-FQEVSTJZSA-N 410.478 1.060 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CON(C(=O)OC(C)(C)C)C3)cc2C1=O 1304383587 YQCRHXVIUARKKE-CYBMUJFWSA-N 401.419 1.749 30 10 HDEE Cc1cc(C)n([C@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)n1 1304733810 OSUUAPTULGSMKR-SKQREZPOSA-N 424.509 1.768 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1nc(C(N)=O)cs1 1309694815 AJQUAPKPIRKKCI-UHFFFAOYSA-N 401.267 1.355 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CS1(=O)=O 1312469085 IYHCABBJUBYYBS-MQYQWHSLSA-N 400.501 1.010 30 10 HDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1314692074 IHLZKWDGLKYTAF-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n1 1314930044 CIKQAAWXCYWMNV-OAQYLSRUSA-N 419.493 1.280 30 10 HDEE CS(=O)(=O)c1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1316335041 FNHSUGHHDGDDLT-NVXWUHKLSA-N 417.491 1.310 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2n[nH]cc2I)CC1 1320310131 GSJWKGQKTRWHGB-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(C#N)nc1 1351648827 PBVOOMZVNYQBHN-UHFFFAOYSA-N 416.459 1.164 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)ccc1OC 1353366444 SANBKYRABNVJPI-GGPKGHCWSA-N 417.506 1.872 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1357217706 HLRSMXWDUOTMPL-AWEZNQCLSA-N 420.462 1.643 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1358889648 FGLLXUAZIZDJEF-CVEARBPZSA-N 409.556 1.505 30 10 HDEE C#CCCCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1358935444 JBHAVSKMDFBFQL-NRFANRHFSA-N 419.526 1.203 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1358965412 UYCWFDNTRAENEP-GOSISDBHSA-N 401.536 1.937 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1cccs1 1358969006 DWPPSBJCOXQDRX-CVEARBPZSA-N 419.576 1.901 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCC=CO2)CC1 1359046541 WAOCVICYKSNEMD-FQEVSTJZSA-N 420.517 1.922 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359172963 PCKSJLQIAWXLKJ-VFNWGFHPSA-N 412.494 1.868 30 10 HDEE CCCN1C[C@H](C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1441251749 YEHUWVGEVIMEHC-CQSZACIVSA-N 412.469 1.773 30 10 HDEE Cc1ccc(C(=O)Nc2cccc3c2CCN(C)C3=O)cc1S(=O)(=O)NCC#N 1453567100 QKFYQEBJKJFZHB-UHFFFAOYSA-N 412.471 1.677 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1454357351 YLHDORBCHYARLL-QMMMGPOBSA-N 409.689 1.518 30 10 HDEE CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H]1CCC[C@H]1C#N 1454653074 UKFVEWBDGGRQEJ-RDJZCZTQSA-N 400.504 1.998 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 1460547288 YCBFGCICCRYJNN-FQEVSTJZSA-N 424.519 1.391 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(Oc3ccc(C#N)cc3)c2)C1 1461954058 LNNHCHBEBPTMGB-UHFFFAOYSA-N 400.460 1.571 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nn[nH]n3)c2)s1 1463833933 KXEPNMLDCNPIDY-UHFFFAOYSA-N 404.477 1.574 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(CC(F)(F)F)c2)CC1 1465777833 DCPZAOAHBVBMCQ-UHFFFAOYSA-N 404.414 1.409 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)C(F)(F)c3ccccc3C#N)C2)cc1 1466548383 COWKOVLVPXDDCG-UHFFFAOYSA-N 421.425 1.848 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](CNS(=O)(=O)C2CC2)C1)C(=O)OC(C)(C)C 1468698807 MAAYUDPLPJXCLE-HNNXBMFYSA-N 413.540 1.177 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1[nH]c2ccccc2c1C#N 1468935641 WKPMWOVBJFWRBN-UHFFFAOYSA-N 416.434 1.977 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CC(N4CCOCC4)C3)C2)C1 1469316086 HNOBRTCZUBCHHS-BOSIIJOCSA-N 418.538 1.753 30 10 HDEE C#C[C@H](NC(=O)N1CCOC[C@@H]1CNC(=O)NC)c1ccc(Br)cc1 1470663692 QSHQCHQUTQXPKA-GJZGRUSLSA-N 409.284 1.463 30 10 HDEE COCc1nnc2n1CCN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)C2 1478419853 FZQGSRQTNCDKLK-MRXNPFEDSA-N 409.450 1.017 30 10 HDEE Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)n1 1492759602 IFFQTVWKPUPIBA-ZBFHGGJFSA-N 422.559 1.530 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCOCC1 1504888235 MDYWZARGBXKJCX-GOSISDBHSA-N 420.558 1.649 30 10 HDEE C#CCN(c1nnc(C)n1CC1(c2cccc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1507624491 AOSAXVGVOKHCDB-GOSISDBHSA-N 414.531 1.954 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634982 RPWIZCPZKZUXNJ-SJORKVTESA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC1(O)CCOCC1 1507677034 TVYKUZNZICGESR-OALUTQOASA-N 416.522 1.397 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1507686624 FENGSBNIQONZAX-UHFFFAOYSA-N 417.539 1.224 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nccs2)CC1 1507718987 JDUVDJAKWDRRGA-FQEVSTJZSA-N 416.551 1.579 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507904545 YYADUJUNOOGIIS-CVEARBPZSA-N 421.567 1.497 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1507994965 BTDRMZLTDBQNGL-OAHLLOKOSA-N 407.540 1.380 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1508089235 WOFCBXVPMOQVNH-UKRRQHHQSA-N 404.515 1.807 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(OC)CCOC2)C1 1508109279 PWBVUJHMNRIZAO-UZLBHIALSA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1nccs1 1508139749 JGHDNJSTSLUSGG-UHFFFAOYSA-N 407.525 1.372 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC=CCO1 1508417127 HWCKGHXFRFEVMR-CRAIPNDOSA-N 405.466 1.862 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1508663593 SFKNGCOYRLOMTD-MRXNPFEDSA-N 413.482 1.984 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508729426 GWGTUEPFQIIZRL-OAQYLSRUSA-N 410.478 1.359 30 10 HDEE Cc1ncc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1511596891 GROCJMVYSFJNDO-BEFAXECRSA-N 418.523 1.861 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1518271141 HRITZPHHIOEXGZ-QGZVFWFLSA-N 403.446 1.580 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518879904 FWBMVQKHWWACFN-XOMICKMZSA-N 422.489 1.944 30 10 HDEE COCCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1519063328 VUQRSVCWSMMQCF-UZLBHIALSA-N 403.531 1.328 30 10 HDEE COCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519413947 VXOQANRZQNQWRF-IBGZPJMESA-N 411.510 1.103 30 10 HDEE N#CCc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 1530269526 ZDHHYQZBQWKSBD-UHFFFAOYSA-N 419.528 1.694 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1533654834 CRXHFJZCDFKCSZ-SJORKVTESA-N 403.504 1.697 30 10 HDEE CCOC(=O)CC1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOCC1 1533684729 UMFHNRAYXFSLPS-UHFFFAOYSA-N 423.491 1.111 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nn1-c1ccccc1[N+](=O)[O-] 1536708181 IAXQFKODMHGHCI-UHFFFAOYSA-N 424.413 1.927 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539210700 FVBUIXPVUMFZDO-JKSUJKDBSA-N 403.508 1.392 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CC 1539359463 HSHFWXJDKHUCEF-LJQANCHMSA-N 405.510 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccoc1 1539408861 GBECXOCSBAJXON-UHFFFAOYSA-N 418.457 1.919 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCOCCCO 1539563868 PNRMLVUTSAEFAU-JOCHJYFZSA-N 408.506 1.908 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1539612662 PIOGIJUJWWCQRU-IAGOWNOFSA-N 419.526 1.787 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539637332 PJBWWIZGKXCPIW-LZJOCLMNSA-N 410.522 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCOC2(CCOCC2)C1 1540865674 ORJZCHQZZMGIEJ-UHFFFAOYSA-N 422.489 1.505 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C[C@H]1CCOC1)C1CC1 1540900746 GJRONQRPFHVXGO-MRXNPFEDSA-N 419.551 1.890 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2COCCO2)CCOC1 1541721471 XSVHENLFERXCJS-RXVVDRJESA-N 419.526 1.864 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)N(C)C 1541840326 IBQQCVNVHRRPPG-UYAOXDASSA-N 423.565 1.925 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CNS(=O)(=O)c2ccc(F)cc2)c1 1542111557 JVFSAEJRRJWBNT-UHFFFAOYSA-N 403.435 1.182 30 10 HDEE CCc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1/N=CC=CC1=O 1546410943 UCOTVFUYNRVCQN-DNTCVELPSA-N 424.509 1.614 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1554456467 BAYOAGNOVUCDAG-UHFFFAOYSA-N 406.450 1.601 30 10 HDEE CO[C@@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C1CC1 1554578784 BFFAUXJGSXNGRC-ACJLOTCBSA-N 410.544 1.443 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)CC2)c1C#N 1556216920 JLSLQAGBAKQLEL-HSZRJFAPSA-N 422.533 1.276 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1557770145 QDCRQUUFWYHLJT-QGZVFWFLSA-N 403.504 1.569 30 10 HDEE COc1ccc(C[C@](C)(CO)NCC#CCN2C(=O)c3ccccc3C2=O)cc1OC 1560185293 UHFXZORVLBCWMX-XMMPIXPASA-N 422.481 1.887 30 10 HDEE COc1cc(F)c(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1F 1561379458 IBBYRPRWWBUMNZ-NSHDSACASA-N 409.418 1.534 30 10 HDEE C#CCN(C(=O)N[C@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1564028679 AVGYZQNEJSMIAC-CQSZACIVSA-N 401.529 1.464 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1 1564417208 PBFCRJQBJBLGGZ-LSDHHAIUSA-N 416.446 1.464 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCCCOC)c2ccccc2)CC1 1564705540 CSRHHSIWCHECTO-IBGZPJMESA-N 422.551 1.339 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 1565259206 SJXOHRTXWLCVAG-CQSZACIVSA-N 420.307 1.924 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1566409722 KUDVBRUEWDHBBT-GJZGRUSLSA-N 415.556 1.634 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CO)Cc3ccncc3)C2)C1 1567764052 ZJVBHWGSFJBDPH-NYXBAERPSA-N 414.506 1.888 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC(C#N)(c2ccccn2)CC1 1568127719 LJZNUYBNVKDINT-UHFFFAOYSA-N 402.451 1.874 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)s1 1584195213 NOHMPOGDCOPLES-UHFFFAOYSA-N 421.500 1.579 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3[nH]c4ccccc4c3C#N)cn2)CC1 1585524695 KFBYAIAQWPPEMV-UHFFFAOYSA-N 424.486 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1587626554 MAMBYKJZNIHGNJ-RDJZCZTQSA-N 415.519 1.302 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1587758651 FOGGRWRFZWMCFI-INIZCTEOSA-N 400.527 1.727 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)cn2)cc1 1587769875 NJIKODKYQOVVEV-RBUKOAKNSA-N 402.414 1.712 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1587904584 KKMQAHBTXBNGOA-AWEZNQCLSA-N 416.448 1.139 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588006822 RAZNOBOONNKDDI-UHFFFAOYSA-N 404.478 1.612 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1588050874 WRLLAXCUVIMWEJ-CYBMUJFWSA-N 413.425 1.838 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(C)CN(C)C1=O 1588093146 CTMQUZFTTROGFP-HSZRJFAPSA-N 413.485 1.886 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1588265552 CZKLYSGBCNEOJP-CHWSQXEVSA-N 401.483 1.783 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1588314679 MYKKXLRVYGPXJK-LJQANCHMSA-N 403.490 1.982 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccc(C)n2)n1Cc1nnn(C)n1 1588482328 QTHXWKRQMLMSSQ-UHFFFAOYSA-N 417.452 1.999 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(NC(=O)[C@@H]3CCCO3)c2)CC1 1588836344 HCDUTHFJGYUZJK-FQEVSTJZSA-N 422.533 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CC=CCO2)CC1 1588930188 PHLDWGAAGOWQSY-RTBURBONSA-N 413.522 1.831 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1595428084 GLUVLTNBYACFAJ-UHFFFAOYSA-N 413.482 1.282 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595529636 BQGNUINSVYFFTL-NRFANRHFSA-N 423.452 1.274 30 10 HDEE CNC(=O)N[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1595609671 AYRHUPVKAANULZ-KBPBESRZSA-N 403.870 1.485 30 10 HDEE CN1C[C@]23CCCC[C@]2(C1)CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C3 1607912379 FGBICEGRMQRRLS-SFTDATJTSA-N 401.532 1.807 30 10 HDEE Cc1c(Br)cnn1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1611245278 OODZRQLWYUXRFN-AAEUAGOBSA-N 412.288 1.829 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1615814849 PSWLIYRLKMWRHW-RCCFBDPRSA-N 406.531 1.605 30 10 HDEE CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1616790185 BNNOEEJBUOKSAB-UHFFFAOYSA-N 414.510 1.876 30 10 HDEE Cc1c(Br)cnn1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618730723 JIOWTUNLPYFTGH-INIZCTEOSA-N 416.279 1.743 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1)OC 1619595655 AOGVRCHCXZVMFH-QGZVFWFLSA-N 408.466 1.398 30 10 HDEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1619641826 AGYBFEWBPFCZHG-FQEVSTJZSA-N 420.489 1.399 30 10 HDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1619754084 HUMFFRCCLBGZME-GOSISDBHSA-N 413.478 1.495 30 10 HDEE O=C(CN[C@H]1C(=O)NCC12CCOCC2)NCC#Cc1cccc(C(F)(F)F)c1 1620616580 FUKJRFUSCUESNB-KRWDZBQOSA-N 409.408 1.058 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccnn2Cc2ccc(OC)c(OC)c2OC)CC1 1624016992 TYONQZHURJFVLG-UHFFFAOYSA-N 414.462 1.949 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)c(C#N)cn1CC 1625717756 BHEUHJBRODGQMX-CVEARBPZSA-N 403.483 1.619 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 1626527891 HKDNCAJILRHVKV-QGZVFWFLSA-N 400.439 1.927 30 10 HDEE CN1CCN(C)[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1627802110 GIQLRBYUEVVHKR-CXIVCQEWSA-N 405.543 1.135 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 1629319353 MPFJPNRUDJVSSI-FQEVSTJZSA-N 400.523 1.599 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)C(=O)OC 1629617448 PQJGZZLCXXAJSS-DOMZBBRYSA-N 407.264 1.792 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CSCC(=O)N2CCOCC2)C1 1631330464 CSOOUQWCDVZWPS-GOSISDBHSA-N 402.520 1.187 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 1633062984 RSABYEBUJDILLG-PMACEKPBSA-N 401.507 1.550 30 10 HDEE C#CCC1(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CCOCC1 1635116636 NJXXLDZEWYACFL-UHFFFAOYSA-N 410.492 1.061 30 10 HDEE C[C@H](CC(=O)N(CCO)C1CCSCC1)/N=C1/NS(=O)(=O)c2ccccc21 1635529193 DBEQTHGCPNYLOU-CYBMUJFWSA-N 411.549 1.220 30 10 HDEE CC1(C)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC[S@@]1=O 1635576607 NVTAKGRJDBWPGK-SANMLTNESA-N 411.549 1.265 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1COCC[C@H]1O 1636139324 QWMZKILKVJPQJK-KZNAEPCWSA-N 401.463 1.659 30 10 HDEE COc1ccc(SCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1637512943 KWEXXSMNFZIJSP-UHFFFAOYSA-N 416.459 1.403 30 10 HDEE C#C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)c1ccc(Br)cc1 1637662929 KLZJDDAWYUTWGE-ZDUSSCGKSA-N 424.276 1.108 30 10 HDEE CN1C(=O)CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1639601982 ZCMGEVPTJXJILU-ZDUSSCGKSA-N 405.252 1.021 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](C(=O)OC)Oc2cc(F)ccc21)C(=O)OC(C)(C)C 1639648011 MKDDBAONAPZBKE-INIZCTEOSA-N 406.410 1.963 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)cn2C)C1 1643888063 HKQYPSLKLITSFY-KRWDZBQOSA-N 415.519 1.498 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1646440213 ZXWQTFHYEYYWOH-VCBZYWHSSA-N 411.524 1.420 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccn(C)n1 1648681405 IFJXTANDVGYXJG-MRXNPFEDSA-N 403.508 1.532 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1649539176 CDACMQPIRMSDKK-IRXDYDNUSA-N 413.570 1.958 30 10 HDEE CCOC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1655034386 BNBCNWGPVLXGAF-GFCCVEGCSA-N 402.270 1.830 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1 1655306299 JMWAILGRRXDQGY-UHFFFAOYSA-N 411.462 1.702 30 10 HDEE C#C[C@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C1CCOCC1 1658594506 ISGVBCNITRCRNL-NRFANRHFSA-N 419.547 1.816 30 10 HDEE C=CCN(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@@H](C)COC 1659150644 GFAIXFHCLDRKTK-HNNXBMFYSA-N 411.528 1.218 30 10 HDEE C#C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1 1661510112 XOHCEMVZCJBKGC-SJORKVTESA-N 404.488 1.409 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C1CCOCC1 1663233626 BNAZRNKOHZXALZ-GFCCVEGCSA-N 411.423 1.687 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1nc(C)n(C)c1Br)C(=O)OCC 1663611424 SIUXFKWWVZXNTL-VIFPVBQESA-N 414.709 1.844 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cccn(Cc3cccc(OC)n3)c2=O)CC1 1665339216 VILXWACRCIASFI-UHFFFAOYSA-N 423.473 1.294 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccccc2C)C(C)(C)C)CC1 1670063899 XCQZJQDRXUHQTD-GOSISDBHSA-N 406.552 1.877 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673010329 LXFMTLBFAGRQFO-AWEZNQCLSA-N 423.311 1.623 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)nn1 1677265645 OLFVOGLYNBHSOL-UHFFFAOYSA-N 406.512 1.492 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)CC1 1681051620 FBSGZMTURDQWOS-NRFANRHFSA-N 410.474 1.581 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1681228093 WAZFKWPZKRXDDY-XKQJLSEDSA-N 413.478 1.872 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCC2(C#N)CCCC2)CC1 1686945539 WXQQERPCYZZGSQ-UHFFFAOYSA-N 409.512 1.781 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1689907929 QIXZLCGIWQDJAK-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690244116 TXAPRFVKEQBZCS-SUMDDJOVSA-N 411.510 1.773 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](CC)C1 1690676872 GZTOBYRORDBIFM-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690738493 OTHPUOCKDPAVKY-HNNXBMFYSA-N 422.580 1.777 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1691483686 FULHETTWOJWXBX-HUUCEWRRSA-N 410.544 1.081 30 10 HDEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1692365335 HPDBCBGXHSFRSG-KRWDZBQOSA-N 409.494 1.989 30 10 HDEE C[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1692870511 ICZGVFYFQFLTCR-KDOFPFPSSA-N 404.858 1.528 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1695434981 BRXGEIHXOWCACQ-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE C=CCNC(=O)[C@@H](C)N1CCC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1700332980 CJQNEWJYYKZNFJ-NADOGSGZSA-N 401.551 1.805 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CCC(=O)NC)CC1 1705636734 VUVYGQQBSPLKEI-UHFFFAOYSA-N 416.913 1.498 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1705640552 WHOCMHMLZJVREB-UHFFFAOYSA-N 408.550 1.982 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705666242 TXQJMCONFNCDOV-KRWDZBQOSA-N 407.584 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705699284 DZZSEAOCMFKUIL-TVFCKZIOSA-N 419.526 1.452 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705810906 LCYSFSGAQILYBV-MPGHIAIKSA-N 413.544 1.239 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1705867701 TYXKSJDWZBSJQC-OALUTQOASA-N 401.559 1.841 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705896889 BBVAPNVMPTXHAV-QAPCUYQASA-N 415.542 1.813 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(C(C)(C)C)CC1 1705905332 RSXZMMXSRYCHJF-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1705907945 CLDPNUMCGRRAAW-RZQQEMMASA-N 407.515 1.094 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCNC(=O)[C@H]2CC)cc1 1705911627 MOKHDHXACOFNRX-ZWKOTPCHSA-N 424.505 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(COC)CC1 1705934918 ARCJYPCDIMDHOU-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1705943587 FOWRVJOHLBECPU-INIZCTEOSA-N 402.524 1.519 30 10 HDEE C=CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705949576 CIWKYGAUBVFKDH-WOJBJXKFSA-N 424.567 1.845 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CCO1 1706050412 SRFIZYRXRSVZJQ-IBGZPJMESA-N 412.494 1.321 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1706750246 NKJVZOBIJHRPOS-MRXNPFEDSA-N 422.493 1.849 30 10 HDEE Cc1coc(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1707715093 UXVCXJBQOGGOAJ-OAHLLOKOSA-N 407.434 1.912 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709297583 WVVFQYDPAAMHHP-HMWBCQRISA-N 410.482 1.441 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@H]1C 1712632455 CAHVWYLCXXAVJD-NEWSRXKRSA-N 418.542 1.463 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(C)CC1C2 1722477713 KJVVLGOJROJUFG-IFQILLTASA-N 404.334 1.786 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnnn2CC2CC2)CC1 1722564898 UEYKOXNKCOIALJ-HNNXBMFYSA-N 402.503 1.603 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)CC1 1722576222 DDAGHTDXAAPWFY-UHFFFAOYSA-N 400.508 1.768 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnnn1C 1722680769 YYNALLLJFSFDPN-UHFFFAOYSA-N 407.482 1.332 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(CCO)CCOCC(F)(F)F 1722684987 HFDUBJXUDXLBRL-UHFFFAOYSA-N 417.388 1.569 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)C1 1722714127 LABONIXYQZWLRJ-MSOLQXFVSA-N 402.543 1.885 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1723690217 IXMXFCMVGLWLMJ-UWJYYQICSA-N 420.558 1.635 30 10 HDEE CC1(C)SCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1724042112 SFYYQPIGLBKWJU-GJZGRUSLSA-N 404.540 1.775 30 10 HDEE Cc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1724366211 GGYHCHAMDWEZSV-HXUWFJFHSA-N 418.501 1.848 30 10 HDEE CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)OC 1727147042 ASDLQPAWHKRZPU-HUUCEWRRSA-N 411.528 1.114 30 10 HDEE CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1727290781 AYSURUWFVCYEHJ-SJLPKXTDSA-N 402.543 1.900 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCN1CC 1729070172 JMUCCDSRAFQNPN-IBGZPJMESA-N 424.553 1.892 30 10 HDEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1730540692 OFVSBVKJNIACNX-GOSISDBHSA-N 403.418 1.025 30 10 HDEE C#CCN(C(=O)[C@H](OC)C1CCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1739625853 DAOKOAHNXWFIHK-WMDQAZIPSA-N 400.519 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1740531147 GBCKALQMENEETB-MRXNPFEDSA-N 411.510 1.494 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1740542865 CXXHDVNSFKUIQO-CYBMUJFWSA-N 405.480 1.023 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740549640 NESPPZIVJKLZBR-SXLOBPIMSA-N 422.533 1.588 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740580131 XVUZXAGCIXHSCF-GOSISDBHSA-N 423.521 1.754 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCn1cc(Br)cn1 1740685095 JAZSBWGFTKNSBZ-AWEZNQCLSA-N 423.315 1.527 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)c2cccc(C)c2)CC1 1740706412 XFOOVMMBOAXYHU-UHFFFAOYSA-N 422.533 1.545 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740741578 NPGAENZNEGRWQK-OCCSQVGLSA-N 403.284 1.964 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(C(=O)NC)c1 1740899783 PBXFKGIMGFQYMS-KRWDZBQOSA-N 417.535 1.405 30 10 HDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C)C1CC1 1740907921 DBOGKIJHXRRLGQ-UHFFFAOYSA-N 420.495 1.900 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740947705 BHQXUXAQUMLNLR-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](NC(C)=O)C1 1740955880 HRAFRYREQARTRH-MRXNPFEDSA-N 412.494 1.361 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740995884 ADOFBOOXJDQFRH-CQSZACIVSA-N 412.585 1.938 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COCC2 1741679517 VXUPBBVXGYHAQS-SFHVURJKSA-N 410.478 1.266 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1741804667 HFMPIKLUUYJGGD-ZHRRBRCNSA-N 408.506 1.973 30 10 HDEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1746409446 DSTMSRKJEGBVPY-ICSRJNTNSA-N 421.505 1.942 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1748107867 YDRGVZBPOFNTHK-YCRPNKLZSA-N 412.494 1.441 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncc(F)cn2)CC1 1748735521 HLUFSUYDDBPULN-MRXNPFEDSA-N 417.489 1.671 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1748759318 GDDOODRTQDSACJ-HXUWFJFHSA-N 412.519 1.542 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nncn1C 1748956484 DUOCBKHAHJOMQN-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)CCS(C)(=O)=O 1749024689 YPEXLEBOIFXPGS-UHFFFAOYSA-N 408.549 1.801 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](C(N)=O)C1 1749131682 UKMAEVJEEBIUBX-OWSLCNJRSA-N 403.527 1.855 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749211518 ZNEOSDGANWWILZ-OAQYLSRUSA-N 418.542 1.648 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749430695 VWKVYXNLGYYSAR-KRWDZBQOSA-N 406.494 1.789 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N2CCCC2)CCOCC1 1749486970 AEQVBWXQJANJSQ-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(C)(OC)C1 1749726883 HULJHYPIHAPERT-UHFFFAOYSA-N 401.492 1.643 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1750385501 PJPCOJBKDPSOJO-KRWDZBQOSA-N 407.540 1.737 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1750386023 FYPMBCKRZPUATO-HUUCEWRRSA-N 414.432 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1760117609 RBSWDOGUWDJACB-QAPCUYQASA-N 414.531 1.759 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180650 IVQNRQMLWKUAEH-AEFFLSMTSA-N 424.567 1.819 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760188365 KHKKYHKYKJADSL-DLBZAZTESA-N 416.551 1.242 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1760198442 CAIYRBROIZQSLZ-LJQANCHMSA-N 407.518 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1760234100 TXMSXOYXIJAWIQ-QGZVFWFLSA-N 402.520 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1760256706 IWTNDQCWTVRUEC-XUVXKRRUSA-N 419.570 1.818 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCCC[C@@H]2C1 1760299680 DCCIGBGVAYLIDI-CQSZACIVSA-N 411.348 1.999 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760307610 SZKOPSDGWJXXLY-BFHYXJOUSA-N 410.316 1.796 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760357909 PCIPUNVRDQLDJJ-LJQANCHMSA-N 423.521 1.968 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@@H]2C1 1760366742 IDWULMSXRBRUTQ-ZIAGYGMSSA-N 402.952 1.315 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 1760428580 ZABDXQLSKLWLLC-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1760456240 KIFYNZSQLWLEBI-OAHLLOKOSA-N 412.560 1.303 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760510570 CYFANMBQXGYODZ-QRQLOZEOSA-N 402.543 1.347 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@H]1C 1760514647 CPWAXFVCIOQEPY-LLVKDONJSA-N 409.288 1.563 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1760527833 KDGZMSLCPDEXCE-CQSZACIVSA-N 416.457 1.000 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1761361113 AVDKURVVKXAZGK-DOTOQJQBSA-N 417.539 1.284 30 10 HDEE Cc1nc(CCn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1762317906 RKDYBDKHXUARLK-IFXJQAMLSA-N 402.503 1.584 30 10 HDEE CCC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763940560 CLOZFMBUVSQPJU-UHHPSXQGSA-N 402.499 1.933 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1767769317 CEOIUKCYBPIXSS-UHFFFAOYSA-N 408.466 1.534 30 10 HDEE CS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1770359028 POLQEMRMDGKHHS-LJQANCHMSA-N 420.514 1.445 30 10 HDEE CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1(C)C 1770623266 KYCVEUZZMJWLFK-SWLSCSKDSA-N 422.511 1.262 30 10 HDEE CS(=O)(=O)[C@@H]1CCCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1771344288 DQAGHJVOKDTFAC-QGZVFWFLSA-N 415.519 1.745 30 10 HDEE CN(C(=O)c1cc(I)ccn1)C1CN(c2nccnc2C#N)C1 1849832970 BCYJSDGPWUADKB-UHFFFAOYSA-N 420.214 1.309 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F 1850154782 IYRIRYOQHCBCHE-SFHVURJKSA-N 407.511 1.584 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1850862802 LYAFYSVWBLDITD-WMZOPIPTSA-N 403.910 1.976 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)c(C#N)c(C)[nH]1 1851579225 WKXNDNGLUBAWEC-GFCCVEGCSA-N 401.373 1.353 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)Nc3cnn(CCN4CCOCC4)c3)CC2)cc1 1852166756 HEBWUBABFNTVJP-UHFFFAOYSA-N 408.506 1.942 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cn3ccc(Cl)c(I)c3n2)CCO1 1852410771 JKIDTYVNDJBOBI-MRVPVSSYSA-N 416.606 1.957 30 10 HDEE COc1ccc(C)cc1N1C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853389216 DLVQHMFLDMFBTI-MRXNPFEDSA-N 420.473 1.367 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCC(F)(F)C3)C(=O)C2)cc1 1854038572 RKEBLJGFEOYYSP-CQSZACIVSA-N 411.430 1.743 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854228418 MEKVZFZYIJSZED-RBUKOAKNSA-N 414.481 1.512 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)c1C 1854338296 NIMUTFNIBRKSJA-UHFFFAOYSA-N 411.437 1.584 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1854642531 RHUBZZCLEAVDJO-SJORKVTESA-N 409.527 1.895 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3C(F)F)C(=O)C2)C1 1854957801 OALYYXVHLTUBET-ZIAGYGMSSA-N 408.453 1.409 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1=O)CC2 1855036024 VWJDZQQKWNZPNP-NVXWUHKLSA-N 405.458 1.451 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCN(C(C)=O)CC3)ccc21 1855155483 UPPUKIUDPCEXMG-UHFFFAOYSA-N 419.503 1.311 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c1C 1855176248 IKVYZOKTUXCQBS-ZWKOTPCHSA-N 411.506 1.846 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@H]3COc4ccccc4C3)CO2)cc1 1855737103 VQWYYTJUFABTLQ-SJORKVTESA-N 414.439 1.657 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nc3ncccc3cc2Br)CCN1CCC#N 1856187464 GSGUZQXIXYYUCR-NSHDSACASA-N 402.252 1.979 30 10 HDEE Cn1nccc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856607681 DVGCDQIDJZAJPE-UHFFFAOYSA-N 405.458 1.772 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1F 1857040514 FOMPMAXFICLTNN-INIZCTEOSA-N 407.467 1.688 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N(CCO)[C@@H](C#N)c2ccc(F)cc2)cc1 1857960068 DKXZQTDNKONBHE-SFHVURJKSA-N 405.451 1.775 30 10 HDEE Cc1cc2nc(C(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)cc(C3CC3)n2n1 1867167271 WXIJTXOWXYYBJQ-QGZVFWFLSA-N 404.430 1.516 30 10 HDEE Cc1ccn(-c2ccc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)nn2)n1 1890073928 FRZVSXUFBWOYNM-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE Cc1ccc(N=c2ccc(=NCCNS(=O)(=O)c3cccc(C#N)c3)[nH][nH]2)nc1 1891081274 CUVQOCXJLWTFHC-UHFFFAOYSA-N 409.475 1.030 30 10 HDEE O=C(O)[C@@H](CS)NS(=O)(=O)c1cc(Br)ccc1Br 2026898281 AXJLNWQDESVPND-SSDOTTSWSA-N 419.116 1.873 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046026892 VXSXSWWUBWQWIO-TYILLQQXSA-N 410.467 1.640 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)N1CCC[C@H](C#N)C1 2140653967 JMXJXBVKNUQEGC-HZSPNIEDSA-N 404.558 1.407 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2182450136 JNLAQSDDGLTALJ-IAOVAPTHSA-N 402.492 1.548 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1COC(C)(C)CN1S(=O)(=O)N1CC[C@@H](C#N)C1 2194650087 PVOAHODUUAWVGQ-UONOGXRCSA-N 402.517 1.081 30 10 HDEE C[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2243383682 BDKDJVVGTNXFDB-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245256724 HSLSGMWYAUKZNK-NHAQELONSA-N 412.292 1.747 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2247826894 BEUZBIVIBKROFA-UHFFFAOYSA-N 420.319 1.790 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248401055 FDVBDGAQGBFMJZ-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255816658 JGBRGELXORBCKF-APWZRJJASA-N 424.354 1.970 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)c1csnn1 2267712800 ZEKSRPCYICYTOP-VIFPVBQESA-N 401.344 1.938 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2267720068 HXLFLRYLBAMJSI-DEOSSOPVSA-N 405.372 1.237 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282317587 SZIAXMIBAUXMKG-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE C[C@H]1[C@@H](O)C[C@@H](C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282329559 ODTOFPICDWXUTD-DYEKYZERSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CN)C2CCCC2)OC1(C)C 2282418573 JHNPAEIXCRXPTQ-AWEZNQCLSA-N 400.375 1.843 30 10 HDEE CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282419256 NYXNMOGBTBHVIE-CHWSQXEVSA-N 403.331 1.130 30 10 HDEE CC[C@@H]1COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501509 XYBJQUMETYCMKC-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CCCCOCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503642 CRJBUXNCMROKOV-UHFFFAOYSA-N 404.363 1.678 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282507953 ONSOBCLNLMXQQU-GXTWGEPZSA-N 400.375 1.546 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282651683 DHVTXJJXWUPTAK-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1(C)C[C@@H](N)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848586 PCJGYTMTQZDLRJ-LBPRGKRZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H]3CCN)c2)OC1(C)C 2282854217 OVCQACARQQNIKN-CQSZACIVSA-N 400.375 1.939 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2282861734 SEMMMJANDMZJHT-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867060 SPDRRYDHUSFKJT-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288909886 JJGOMBFOEZZEKC-KGLIPLIRSA-N 401.359 1.722 30 10 HDEE Cn1nc(Br)c([C@@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)n1 2296278422 DHMXTBDDIIZGGW-JQWIXIFHSA-N 400.074 1.753 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccn2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296940749 KRMDUSCDYZUIKU-QGZVFWFLSA-N 413.386 1.420 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@@]2(O)CC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2319414592 DKRABOUALMYMJW-OXJNMPFZSA-N 405.472 1.346 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@H](O)C#CC2(S(C)(=O)=O)CC2)C1 2342049296 SQTORJXVHLQGGS-NSHGMRRFSA-N 421.515 1.744 30 10 HDEE COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@@H](C#N)C1 2364214579 OBNKNFDZBTVRSZ-ZQIUZPCESA-N 402.517 1.081 30 10 HDEE C=CC[C@@H](NC(=O)NCc1c(Br)c(Br)nn1C)C(=O)O 2364446737 RMTXOIRWIWKLLH-ZCFIWIBFSA-N 410.066 1.774 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367800091 GPSVMHGYTVGELZ-CRAIPNDOSA-N 400.541 1.571 30 10 HDEE COCCNC(=O)c1oc2c(c1C)/C(=N/NS(=O)(=O)c1ccccc1)CCC2 40814971 BRQCJYVYCMOHMS-RCCKNPSSSA-N 405.476 1.983 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 437885873 DFBNSCGQBHRUQQ-YBTHPKLGSA-N 415.519 1.746 30 10 HDEE N#CCCn1ccc(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)n1 441786305 IRYDQNOQOKFSLH-MRXNPFEDSA-N 418.461 1.927 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCCN(c4ccccc4)C3=O)CC2)c1C#N 472069669 LKJUAQVRCNTQBF-IBGZPJMESA-N 421.505 1.627 30 10 HDEE N#Cc1cnc(N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cn1 475360531 AKSKWTUBCDIOBN-UHFFFAOYSA-N 401.448 1.020 30 10 HDEE COc1cc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc(OC)c1 489596734 VKXAMKOSAVXRSU-UHFFFAOYSA-N 416.503 1.785 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2noc(C)n2)C1 508887415 IOWXSADZZMMSRC-ZDUSSCGKSA-N 415.479 1.725 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)cc1 513283802 GNULSLMLUHGNLM-UHFFFAOYSA-N 406.508 1.681 30 10 HDEE Cc1cc(C)nc(SC2=C(N(C)CCO)C(=O)N(c3ccc(C#N)cc3)C2=O)n1 526700776 JCEGTSMZFYDBAR-UHFFFAOYSA-N 409.471 1.766 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)Cn2nc(C(C)(C)C)c(CCC#N)c2O)C1 534632640 IHDMXDFZAPLPFA-INIZCTEOSA-N 405.543 1.815 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 546169999 YAJZXNYJXCBPLU-YCRPNKLZSA-N 410.478 1.103 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN(Cc4ccccn4)CC3)CC2)n1 546881412 ATEQBOURMFMBQJ-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 549657593 FWHVMCMTTNHWEL-IAGOWNOFSA-N 405.499 1.017 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CCCC[C@H]1NS(C)(=O)=O 553079536 VCKBPVKWFVSDGZ-HBUWYVDXSA-N 401.529 1.472 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCCCO2)CC1 555470480 XELSCWIWEOKMBX-SFHVURJKSA-N 402.543 1.224 30 10 HDEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562208057 OZBDZXWPZUGHSJ-ALOPSCKCSA-N 413.503 1.507 30 10 HDEE C=CCn1c(-c2nn(CCCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 583052479 BBXWOBSWOLTGEL-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)n1 585533696 IHUVPKRVLOTWTC-QGZVFWFLSA-N 412.490 1.598 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@H](C)C(=O)OCCOC)nc1C 586301983 GJJRIWLYZQNMKL-DQQVXTMASA-N 418.493 1.060 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1 586864057 IWSYBWLJKWJELQ-KXBFYZLASA-N 404.486 1.567 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)CC1 597461351 GOJJXXGFLFBEJI-HXUWFJFHSA-N 410.522 1.866 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610980150 PLDBUOUXSBMFAD-OAHLLOKOSA-N 421.519 1.807 30 10 HDEE CCn1c(O)nnc1C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 611212204 FTXHHDRPOKMFPB-UHFFFAOYSA-N 406.450 1.663 30 10 HDEE CC(=NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(S(N)(=O)=O)cc1 726423063 BSWMBLLARZZFEK-UHFFFAOYSA-N 408.505 1.611 30 10 HDEE COCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730140095 UPNYCGLSDZIMTR-KRWDZBQOSA-N 417.535 1.594 30 10 HDEE CN(C)S(=O)(=O)N(C)CCOC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732505074 OOQVARHCMTUEBB-UHFFFAOYSA-N 404.448 1.641 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CCN1C1CC1 732648814 IIHXZBAYCUMBKL-SFHVURJKSA-N 402.520 1.720 30 10 HDEE C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(S(=O)(=O)N(C)C)c1 732703816 LJSXTKOKFHYMDX-WMLDXEAASA-N 405.524 1.380 30 10 HDEE Cc1cc(C)n(-c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2F)n1 732707202 VNIMKEXFSFVAPH-QGZVFWFLSA-N 410.453 1.766 30 10 HDEE Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732708114 MSQJRDWIHQQJQX-MRXNPFEDSA-N 406.446 1.715 30 10 HDEE CC(C)[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccccc1F 741340444 DWYDNEWOMATZDL-WOOAAIBNSA-N 417.437 1.926 30 10 HDEE CCN1CCC(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 742098007 CXAMNUIWLPMUPR-UHFFFAOYSA-N 406.552 1.744 30 10 HDEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(F)c1Cl 742295372 DGNCBOVPWHEJHX-LLVKDONJSA-N 418.853 1.937 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1 746167222 CDWQWCRYOAAIGL-FZFLATATSA-N 403.410 1.853 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOCc1ccc(Cl)cc1 754109618 JLYWYPZSTJYDIW-UHFFFAOYSA-N 407.879 1.712 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1c(F)cc(C#N)cc1F 755210543 GBJSVUHGUCYJEV-UHFFFAOYSA-N 422.432 1.988 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCn3c(S)nc4ccccc4c3=O)CC2)n1 761043399 SZCBGRULKGNDRB-UHFFFAOYSA-N 420.498 1.691 30 10 HDEE N#CCCN(C(=O)COC(=O)CNC(=O)c1cccnc1)c1cccc(Cl)c1 767608129 WCTFIPGRMOQAFO-UHFFFAOYSA-N 400.822 1.955 30 10 HDEE O=C(COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)NCC(F)(F)F 768045495 KLIMSWMTWFTGFQ-UHFFFAOYSA-N 413.221 1.667 30 10 HDEE C#CCN(C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774024659 WIMFNAMPDHGWJD-MRXNPFEDSA-N 419.503 1.866 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)cc1 780204715 IBJVDZMWRBMXQW-PKOBYXMFSA-N 420.487 1.093 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 780858437 HYTWRJLXCJXWJC-GOSISDBHSA-N 409.471 1.005 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CC[C@H](OC)C(F)(F)F)cn1 786686976 FDQWFPHQQLVUCY-RYUDHWBXSA-N 421.445 1.938 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CC(=O)NC(C)(C)C 787864259 JZXJGBYFXTTZOA-HNNXBMFYSA-N 422.551 1.513 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)n1 788565356 HXTLXKANOBTALL-UHFFFAOYSA-N 423.473 1.846 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C3CCC(C)CC3)C2)n1 790104055 JCOZUFNHEWNHER-QPIRBTGLSA-N 400.523 1.919 30 10 HDEE C=CC[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 790624422 BHMAWZWEKIZNNT-LVWMNBHTSA-N 418.494 1.975 30 10 HDEE Cn1nnc2ccc(C(=O)NS(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)cc21 790863434 WPFPLOGNXDKQOZ-UHFFFAOYSA-N 409.349 1.977 30 10 HDEE Cn1cc(/C=C/C(=O)OCc2ccc(Br)cc2C#N)c(=O)n(C)c1=O 805384789 KFFAEPVZTIATEO-GQCTYLIASA-N 404.220 1.475 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 811080044 FCCLAJMXXLIKMO-HZPDHXFCSA-N 401.506 1.664 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2cnccc2C#N)CC1 813755830 CVNJFBBRYCVCBY-PLNGDYQASA-N 400.483 1.866 30 10 HDEE CN(CCc1noc(C2CN(S(=O)(=O)c3ccc(C#N)cc3)C2)n1)C(=O)C1CC1 823624135 LYYWAZGNOZIWIP-UHFFFAOYSA-N 415.475 1.140 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)n1 856587846 TWNSFGPNVMPWOY-KRWDZBQOSA-N 410.883 1.915 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)C2)nc1 856685774 AEIHIGWLVZDGPK-KRWDZBQOSA-N 411.462 1.330 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)CC1 915407889 HEZWLFRYTMXSBA-SHYRYGCCSA-N 424.523 1.741 30 10 HDEE COCCCNC(=O)[C@H](C#N)C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916871118 QDBKFYKAIUDHHL-SJLPKXTDSA-N 403.454 1.468 30 10 HDEE CC(=O)c1ccc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)cc1 1084092081 JSWHSJWDLGWVFN-UHFFFAOYSA-N 410.463 1.766 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1116553350 VNSKCQVKKGQBSQ-RBUKOAKNSA-N 417.506 1.847 30 10 HDEE C#CCN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@H]1CCS(=O)(=O)C1 1125884783 ZHPNAMSQYWTDBX-INIZCTEOSA-N 419.430 1.620 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OCC 1133156829 AAOWYYNORAGRKP-QGZVFWFLSA-N 409.508 1.496 30 10 HDEE CCOc1cc(CCCNC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1OC 1136846677 JAOJKTQONBQCME-UHFFFAOYSA-N 400.435 1.367 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCSC[C@@H]2S(C)(=O)=O)CC1 1136898775 XUEZGYPVOQOEJB-INIZCTEOSA-N 416.565 1.583 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)n1 1140193569 XBEWGRSKZBGUMG-UHFFFAOYSA-N 404.356 1.426 30 10 HDEE C[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CCN1S(C)(=O)=O 1166751065 IVIOUMWQYWIKFF-MRXNPFEDSA-N 406.508 1.206 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(NS(N)(=O)=O)CC2)c1 1175220759 ZQQDDVXYSQKSNF-INIZCTEOSA-N 407.540 1.196 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)n1 1189895723 CCVYMNWAEINHJU-CABCVRRESA-N 409.430 1.404 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)NC(=O)[C@H]4C3)c2C#N)C1 1192937534 AJNXDNBLPBBTKN-BXUZGUMPSA-N 401.492 1.309 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC1CCN(c2ccccc2C#N)CC1 1193305427 HJBBOBUIIXLBHT-UHFFFAOYSA-N 406.489 1.749 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCCCCCC(=O)N1CCN(C(=O)CC(C)C)CC1 1221726112 WWEGLNDZQVYMCR-MOPGFXCFSA-N 422.570 1.906 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccccc2S(C)(=O)=O)[C@H](C#N)C1 1233851346 GOKSNFKWKAPXSV-HUUCEWRRSA-N 422.507 1.648 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1=O 1274999487 HBSDCRJTQUZCNI-UHFFFAOYSA-N 403.398 1.040 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(Cl)c2c(c1)OCCO2 1286371743 CJUAWYGULOJJIL-AWEZNQCLSA-N 401.854 1.772 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1286392005 HCFVTZCEWAGJCL-OAHLLOKOSA-N 409.556 1.020 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCc2nnc(C)s2)n1 1286469624 KQELREKRUNGDFR-UHFFFAOYSA-N 400.512 1.472 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)[C@@H](C)CCC 1286514972 SPLOCVQCRVONRY-HRAATJIYSA-N 402.543 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCC(=O)NC 1286561330 BEFCTTYRLVDBOG-JXFKEZNVSA-N 418.542 1.344 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1286799170 SQQGFKNNZKPEEL-MSOLQXFVSA-N 418.542 1.456 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)O)C1 1286808946 OFHZHOGSTHDTCJ-HNNXBMFYSA-N 424.505 1.744 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1290342307 FFDMHKWSWJWHIQ-QZTJIDSGSA-N 405.495 1.749 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](F)C2)CCO1 1299137346 FDJIKBQPECLQSD-NJAFHUGGSA-N 412.469 1.906 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1300457985 CRGYSCXZEGVUJO-HZPDHXFCSA-N 402.524 1.332 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(C)COC1 1300466632 YUZLNOSMLNLWSZ-HNNXBMFYSA-N 405.499 1.692 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCn1cc(CO)nn1 1300472766 IGWKWSMYPHDUCC-UHFFFAOYSA-N 409.494 1.717 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC)c(OC)c1 1300532301 RCHHSKJCQXCHCV-KRWDZBQOSA-N 407.474 1.758 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1300537656 IBBSUOGLHLORAE-HNNXBMFYSA-N 404.442 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1300548189 HHVPVAQURGKZCJ-GOSISDBHSA-N 400.866 1.999 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1300638850 ZUNXKXFMLIGQRG-HNNXBMFYSA-N 406.483 1.890 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cnn2ccccc12 1300674918 HYZIKLUTLVZHOK-UHFFFAOYSA-N 407.478 1.183 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1301297589 QLZNDJXHLYQROS-HNNXBMFYSA-N 418.502 1.386 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301529896 SGMSWYILILILKA-UHFFFAOYSA-N 410.478 1.720 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCCC)C1 1301536237 SKCNVMYECJOQSX-INIZCTEOSA-N 404.515 1.212 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 1303025300 ATBDUFYQLITTCX-UHFFFAOYSA-N 405.501 1.934 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1305113997 AYIZQLGOPYRPAG-QAPCUYQASA-N 410.478 1.289 30 10 HDEE Cc1nc([C@@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)no1 1308072371 VNMUORNOCUYBSA-MJGOQNOKSA-N 412.469 1.716 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1F 1309496053 FTMTWZHUECRTGF-RYUDHWBXSA-N 405.373 1.729 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1310744763 ACXXQOVFLCVPSG-AWEZNQCLSA-N 410.316 1.756 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312472711 ZGNDQFVLWIVLIF-DLBZAZTESA-N 421.542 1.499 30 10 HDEE COCCN(C)CCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316062487 HMOBSYJPAQWMQE-UHFFFAOYSA-N 413.526 1.905 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316540078 UBIGWQGQBXBALA-UXHICEINSA-N 410.522 1.911 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(C(=O)N2CCCC2)cc1 1338908696 HLJRAJWLMKTIHY-HNENSFHCSA-N 411.462 1.248 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 1342321497 XLNNFYRPYZZWIF-INIZCTEOSA-N 403.504 1.651 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358960732 KSWMDYULSCQLNZ-JXFKEZNVSA-N 417.535 1.518 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1358966321 MOMNEIAKQIBKCY-SFHVURJKSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC1(N2CCOCC2)CC1 1358980476 WJTDRMXCYHESFH-UHFFFAOYSA-N 419.529 1.815 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(C)(=O)=O 1358989966 VWIWEPPZETZAHQ-UHFFFAOYSA-N 400.460 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1358992327 INJWURPWGOGTNX-SPEDKVCISA-N 411.506 1.420 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)(=O)CC1 1359100628 DPLNQVXYWWYBHM-PKOBYXMFSA-N 417.535 1.480 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)CC1 1359180434 FKMVSZWRNDBCOP-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359207552 OEQVAEHLGXVLBZ-INIZCTEOSA-N 424.509 1.932 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1359216194 RARIDIHUVJACEZ-INIZCTEOSA-N 409.512 1.807 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCO[C@H]1C 1359276043 PIRVASNDDCOCTO-KKSFZXQISA-N 417.510 1.784 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C(C)=O)CC1 1359296966 ZYDYZXDHXXSZAL-UHFFFAOYSA-N 419.489 1.464 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359300253 XHOPSOSFLWVYQP-KRWDZBQOSA-N 402.543 1.396 30 10 HDEE C=CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@@H](C)COC 1437607100 NSPIESTXYGJPDX-HNNXBMFYSA-N 404.467 1.926 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1439606719 BOVSIWGTJZTLJY-NJSLBKSFSA-N 419.528 1.158 30 10 HDEE COCCO[C@]12CCC[C@@]1(NC(=O)C1CCN(c3oc(C)nc3C#N)CC1)CCO2 1439970569 NMEZNTPBNSIXRH-NHCUHLMSSA-N 418.494 1.890 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@@H](O)C12CCC2 1453459858 GSHYISMCPBFKBM-IAGOWNOFSA-N 405.520 1.705 30 10 HDEE C[C@@H]1C(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(=O)N1C 1453745539 BLJCOPFYCSSAKR-BGKJIHHVSA-N 405.455 1.087 30 10 HDEE N#CC1(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC2(CC2)C1 1464259427 SRWGRVMHDVMKEJ-INIZCTEOSA-N 403.504 1.844 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2(C(=O)NCC3CC3)CCCC2)c1 1465513982 ZCYOBSOQXJKBEG-UHFFFAOYSA-N 407.467 1.692 30 10 HDEE C=CCC[C@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1468127612 GWUKSBSQCVVFPV-KRWDZBQOSA-N 424.457 1.844 30 10 HDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1471356117 DVXNEPDNUIGBGO-CQSZACIVSA-N 401.444 1.120 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ncccc3Br)CC2)c1C#N 1471582355 FYMMNMIYTYMDHW-UHFFFAOYSA-N 418.299 1.790 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CN(C(=O)OC(C)(C)C)C1 1471719239 DRFOGJSMOQFUOT-HNNXBMFYSA-N 408.495 1.838 30 10 HDEE CC(C)OC(=O)C1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1471930343 CUDOAEWUWKZSBQ-CQSZACIVSA-N 421.519 1.694 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 1478567001 CXTIPGKYFMYKLB-MOPGFXCFSA-N 419.485 1.735 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1502389480 FWDHRZILQZRHIT-UHFFFAOYSA-N 415.542 1.693 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1507638923 UAXREIOHBXGMID-ROUUACIJSA-N 423.583 1.316 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)NC(C)C 1507753175 KJBZORPJWYCDRH-UHFFFAOYSA-N 403.556 1.467 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1507870207 FZHUOHSTHSGPIV-OAHLLOKOSA-N 412.947 1.906 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507928445 FILLOWDTEYCSQD-INIZCTEOSA-N 424.571 1.388 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1508059185 PPAQOUHKIWXVCZ-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)C1 1508073587 LAMJIMQKCSEXSP-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccc(C#N)o2)n1 1511115206 JQWSZQLAXUJZSB-UHFFFAOYSA-N 421.461 1.632 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC[C@@](C)(C#N)C1 1517624970 GPPUQTSAVAXMGX-IBGZPJMESA-N 418.523 1.633 30 10 HDEE COc1ccc(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1518228253 CUZFVJHWWVMLSI-FUHWJXTLSA-N 413.478 1.771 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCSCC1 1519259349 MHNLEFGFTMJATQ-MRXNPFEDSA-N 408.572 1.791 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1530725938 WMKIWHAGYKYBCY-JFIYKMOQSA-N 408.520 1.643 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1531591356 HPNRSNJCWNYGBO-UXIGCNINSA-N 412.309 1.878 30 10 HDEE CN1CCn2nc(C(=O)Nc3nc(-c4cccc(C#N)c4)cs3)cc2S1(=O)=O 1536405477 OFIRGWSKZNYLTM-UHFFFAOYSA-N 414.472 1.765 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(I)nn1C 1538385201 MIESKYJNPZHXMB-UHFFFAOYSA-N 403.220 1.442 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1539013103 HZBONYIBIKSUSY-HOTGVXAUSA-N 407.540 1.041 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539222226 USKOKQRVCXDKKR-SJORKVTESA-N 424.567 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC 1539245777 KKAHQLWJZSOEQW-UHFFFAOYSA-N 401.448 1.361 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1539260825 VKAJQAZSMRUARR-HXUWFJFHSA-N 418.501 1.187 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1539416358 MNODQFDFXQHWNX-QGZVFWFLSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC(F)(F)F)CC1 1539441888 YHMXASOSTYZPAA-UHFFFAOYSA-N 420.439 1.687 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539823492 DMDOYTACAPNYML-GOEBONIOSA-N 408.934 1.671 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccccc1Br 1540033146 YWWHGZSLALKDDT-BXKDBHETSA-N 405.212 1.144 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1540033317 DXKYMRYGQVCYSN-XLIONFOSSA-N 416.570 1.737 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)c(C#N)cc2C1 1540207110 CTFHBLOPSCYCQI-SNVBAGLBSA-N 409.471 1.942 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540864032 NCIZDZHBLLPPMT-UHFFFAOYSA-N 402.474 1.359 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](COC(C)C)C1 1540870333 KTLKRIPRXNKDFD-DLBZAZTESA-N 407.515 1.452 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCOC2(CCC2)C1 1540872333 LGHMHNQOZDPRAZ-UHFFFAOYSA-N 411.506 1.939 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1540874317 BSBHMCFNWARYOF-RCCFBDPRSA-N 413.526 1.161 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)cc1 1543353100 FBXRFTHVVOPPLC-UHFFFAOYSA-N 409.442 1.924 30 10 HDEE Cc1noc(C)c1CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1543376316 BYASATRXZUACBR-LJQANCHMSA-N 401.446 1.804 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cn(C)nc2I)CC1 1546286410 DLGBPSLPLIHRMZ-GFCCVEGCSA-N 401.252 1.331 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1548216579 HAZUVIBLWZYCNB-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)OCC 1557935438 ZYUFSLNHGLOUBE-CQSZACIVSA-N 404.872 1.293 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)N(CC)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1558370981 WIRIYJAXFGLLNJ-UHFFFAOYSA-N 415.556 1.519 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCCCS(N)(=O)=O)c1ccc(Br)cc1 1561601484 OFDTXTPPBCPOLI-CYBMUJFWSA-N 409.327 1.112 30 10 HDEE COCCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1565680878 BIHUBBVGSNUCCO-UHFFFAOYSA-N 414.455 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCn2c(O)nnc2C1 1567886297 ARDRIZYOHKDBGK-KRWDZBQOSA-N 424.461 1.732 30 10 HDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)cnn1CCC#N 1568837856 ZSJCSWLNPMUQHI-INIZCTEOSA-N 417.491 1.503 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1cccs1)C[C@H]1CCCO1)c1cc[nH]n1 1569993517 DLZIKOUSZVFOJA-CQSZACIVSA-N 420.491 1.963 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1=O 1583893259 YMVYJLQPVFRUMJ-KBPBESRZSA-N 413.352 1.678 30 10 HDEE CN(C)Cc1ccc(C(N)=O)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1586496923 DBRFNWOKOKKDPA-UHFFFAOYSA-N 418.450 1.536 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN1CCCO 1587683203 DVVMSSZIYUEYFB-HCXYKTFWSA-N 405.543 1.307 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1588035148 PKWVIQWFOKOIOF-IEBWSBKVSA-N 406.483 1.260 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1594752837 RCQYQAZQICWZAJ-UHFFFAOYSA-N 400.527 1.862 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1595334897 IJKKQNDZMFHTIG-UHFFFAOYSA-N 410.478 1.067 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595500653 APXYFQZXIFAKHW-JOCHJYFZSA-N 408.506 1.669 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccsc2)C1 1595674186 NRRNADPVPCTHQA-DZGCQCFKSA-N 411.553 1.779 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOCC1 1595766813 XXPQBIPHRAPJKP-UHFFFAOYSA-N 422.507 1.400 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)Cc1cnn(C)c1 1595784388 FEAUDUQQFXITRV-UHFFFAOYSA-N 401.496 1.311 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H](CO)CCc3ccccc3)C2=O)cc1 1596493036 OTQCSOPRGHEXFJ-ICSRJNTNSA-N 420.469 1.873 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 1596727086 FEXYHPKXXDIBFK-ZDUSSCGKSA-N 416.385 1.003 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CC#N)C(F)(F)F)cc1OCC 1596784251 WFIDQCATPWAJIM-AWEZNQCLSA-N 423.413 1.723 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1596814693 ZIWWQSSHOLBFJA-CABCVRRESA-N 423.477 1.995 30 10 HDEE C#CCN(C(=O)COc1ccc([N+](=O)[O-])c2cccnc12)[C@H]1CCS(=O)(=O)C1 1597138459 LUCQCGLAUFRLDT-ZDUSSCGKSA-N 403.416 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C1CC1 1597504809 PUBXXVJYWRXSBW-GJZGRUSLSA-N 404.471 1.650 30 10 HDEE CC(C)N1C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1610900818 SWPKYGNXMPXTOJ-KXSVDRQTSA-N 404.511 1.899 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(=O)C1CCC1 1612599840 PJICZKCYRFANED-OAHLLOKOSA-N 423.525 1.270 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615896835 ONLXCBDUGBFYPD-XLIONFOSSA-N 405.522 1.599 30 10 HDEE C#CCN(CC(=O)NCCCN1C(=O)COc2ccccc21)C(=O)OC(C)(C)C 1620982587 XWKPKBSZFWKTEY-UHFFFAOYSA-N 401.463 1.789 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)ccc1C#N 1622134634 HRMBQFCIHSLPPI-UONOGXRCSA-N 401.410 1.898 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(I)s2)C1 1622551105 CPBVYVHFTOMNDI-JTQLQIEISA-N 410.302 1.729 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1ccn(CCC#N)n1 1623119987 FAKUQEDRTNSDTG-UHFFFAOYSA-N 405.484 1.044 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)c1 1627951089 MDZYTJMMBNZBIA-OAHLLOKOSA-N 407.517 1.641 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1628850389 ZCKXYWVFUBDKLU-GOEBONIOSA-N 404.463 1.870 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2(CS(C)(=O)=O)CCC2)CC1 1630022038 KMUVNTBGWNBRSA-UHFFFAOYSA-N 412.552 1.968 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(NS(C)(=O)=O)cc1 1630163928 INPOLUMDNOVBOU-MRXNPFEDSA-N 409.508 1.981 30 10 HDEE COc1ccc(CN(C(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](CO)C(C)C)cc1 1632043242 BXUMUMDHTRZTQC-GOSISDBHSA-N 414.462 1.265 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](c4nn[nH]n4)C3)C2)C1 1633585794 VSJKPWDNRJLUAP-UAWGMYSWSA-N 415.498 1.693 30 10 HDEE C#C[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCCO1 1634529326 ACZPUVGZTRRLBX-VYDXJSESSA-N 403.483 1.761 30 10 HDEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1634898851 AZSKECITEHHOOK-AWEZNQCLSA-N 423.470 1.211 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc(CC)[nH]1 1635606136 CPGOWVJOYUKMSL-HNNXBMFYSA-N 403.508 1.886 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)c1ccccn1 1636450337 ALMLBWTZXGZSSE-DLBZAZTESA-N 416.503 1.529 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)C2)nc1 1636786807 SKEAFAIFMITBCX-REWPJTCUSA-N 406.486 1.960 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](OCC)C3)nnc12 1639099229 RMQZYCKQKOUMGT-AWEZNQCLSA-N 413.503 1.960 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](O)C[C@@H]1COC 1644453935 CSDZZPXSTHGWER-CHWSQXEVSA-N 413.268 1.706 30 10 HDEE C=CC1(CC(=O)NCc2ccc(S(C)(=O)=O)nc2)CN(C(=O)OC(C)(C)C)C1 1645250233 PPWWWFMCGPSCMJ-UHFFFAOYSA-N 409.508 1.915 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C)CCN(C)CC2)cc1OC 1645399692 AFOLTQDKJGLUNV-UHFFFAOYSA-N 420.554 1.930 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1ccc(F)cc1F 1646257282 DYESYMPYVADBDC-GTNSWQLSSA-N 409.414 1.353 30 10 HDEE Cc1cnc(C2(NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)CCOCC2)[nH]1 1647853100 CPSZOKCFLXNDAX-UHFFFAOYSA-N 417.491 1.264 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2=O)cc1 1651692185 QOTUEROVGUGXGL-ZJOUEHCJSA-N 410.518 1.918 30 10 HDEE N#Cc1cn(C2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)C2)c(=O)nc1O 1655677742 JMZKEHNQWLNFEW-UHFFFAOYSA-N 408.349 1.991 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1656631990 PFFDNZLOQUGIPD-INIZCTEOSA-N 416.565 1.775 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1 1660875395 YJJYYHUIZDDBRO-IBGZPJMESA-N 420.531 1.844 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 1665722040 MHHZZIMWZOTAMK-UHFFFAOYSA-N 422.463 1.270 30 10 HDEE CS(=O)(=O)CCn1cccc(NC(=O)N[C@@H]2CCCc3cc(C#N)ccc32)c1=O 1668460738 GMKOKHGFHFVZSW-QGZVFWFLSA-N 414.487 1.964 30 10 HDEE CON(C)C(=O)[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1683124594 GHZQMLZRYBRCIZ-LBPRGKRZSA-N 417.445 1.105 30 10 HDEE C=CCc1cc(CNC(=O)NCCN2CCC3(C2)OCCO3)cc(OC)c1OC 1685332264 TZKJBGITGZQXBK-UHFFFAOYSA-N 405.495 1.680 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2)CC1 1689930717 YBECEAOFXMZYBW-GOSISDBHSA-N 413.547 1.920 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)c1occc1C 1689943970 HCAHXHYVBAFNQK-UHFFFAOYSA-N 421.461 1.716 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCSC 1689965712 BSRFUBOZCYQPEN-OAHLLOKOSA-N 415.585 1.214 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCn1cc(Br)cn1 1690017823 MORDOXNMQCWUGW-OAHLLOKOSA-N 417.311 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCC(=O)NC)CC1 1690141972 GBYOZPASPBNBNE-UHFFFAOYSA-N 424.505 1.056 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(OC)CCOC2)CC1 1690144205 PHLASOFPRBCUMI-QFIPXVFZSA-N 415.538 1.707 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690246499 VDFLNWWDEHKHHQ-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1690300612 GSZRXGIXMBWITC-AZUAARDMSA-N 418.586 1.996 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(N)=O)c2)CC1 1690364127 KAQMMHXYOMVSIE-CQSZACIVSA-N 418.523 1.192 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1692667463 GNZAIHJPRFDWCN-CQSZACIVSA-N 421.509 1.912 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cs1 1693340412 AHGOLGRIKCYXFK-RISCZKNCSA-N 416.511 1.218 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1 1693854156 CPZDTUADBUQJBV-MGPUTAFESA-N 415.519 1.822 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1697973536 ZHFRYDJMSAUYCN-LJQANCHMSA-N 412.494 1.585 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1705537598 KYKYWMYYJHIOBC-MRXNPFEDSA-N 409.498 1.381 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccnc1N1CCOCC1 1705557728 ZNRMPKKPESGHFI-UHFFFAOYSA-N 420.521 1.489 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1ccnc1 1705572149 SEHBLGUROSWLMF-UHFFFAOYSA-N 401.474 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCN(CC)S(C)(=O)=O 1705596768 NGBUDACTVJDPTE-GOSISDBHSA-N 421.567 1.654 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCOC[C@H]1OC 1705605418 KOCCOYYWEWDWJC-OPYAIIAOSA-N 406.527 1.830 30 10 HDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCNC(=O)CC1 1705736836 DQOJSURFCBHLQY-GOSISDBHSA-N 413.478 1.710 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1705830329 MUUSDJHJWSNYGR-QFBILLFUSA-N 410.540 1.390 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1705890749 GCWRRSQPNHVDOE-JKSUJKDBSA-N 423.583 1.745 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(CC)C(=O)C1 1705902667 KYDQGIJFITVADP-UHFFFAOYSA-N 410.522 1.868 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1705925451 PMENTMQFHOPNHC-KZNAEPCWSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705935349 OILORGZAPJNUPL-QGZVFWFLSA-N 422.555 1.160 30 10 HDEE C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1706902601 CZFSRAOJFAFOKD-AUUYWEPGSA-N 416.507 1.098 30 10 HDEE CC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1706961282 CSOMJPKDTUGOKJ-KBXCAEBGSA-N 411.503 1.439 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1708855760 CWUMMGQPMOYWCZ-LJQANCHMSA-N 418.523 1.371 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1722280611 WTMHLEMODCDADM-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722340114 NLBUTXZEJCTPCP-KRWDZBQOSA-N 401.442 1.361 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1722362876 WVOAVDSOEDXSLG-KRWDZBQOSA-N 420.539 1.122 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1722365917 GHAPPXKLXFMLKE-ROUUACIJSA-N 413.547 1.982 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(C3CC3)C2)CC1 1722430893 JZPHUYJFNCQMPT-RTBURBONSA-N 416.570 1.242 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCCN2CCOCC2)CC1 1722438179 NVMQPXPNJYLBKW-UHFFFAOYSA-N 423.565 1.516 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1722458664 PWZDYAPYYSKEQZ-MRXNPFEDSA-N 420.583 1.143 30 10 HDEE C=C(C)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)C1 1722523374 QAHPKBDLFOWYNY-UHFFFAOYSA-N 404.515 1.905 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](CN2CCOCC2)C1 1722543254 NMWFSMIHGXFUET-DLBZAZTESA-N 413.950 1.913 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1722730397 QNTFJCGAYNHMOC-UHFFFAOYSA-N 422.473 1.725 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1729617125 JSQAEBSYHNPQMB-MGPUTAFESA-N 406.531 1.829 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(C)cn1 1730946194 KXMNZVROWGXPOC-BXWFABGCSA-N 403.462 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1740548969 CODHROBGAGCCGN-WBVHZDCISA-N 421.567 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1740550762 JQNVGJUEQSOYQA-LUQKVYGDSA-N 414.531 1.472 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1740567873 WZCSHNVFPDSELO-ROUUACIJSA-N 422.599 1.756 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740615771 KVESYIJSYBCENR-WIYYLYMNSA-N 416.547 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740637198 TYVFZMCQORJYIE-MRXNPFEDSA-N 409.494 1.969 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1740654586 MHPUOACITVLHGC-IBGZPJMESA-N 411.531 1.694 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1Cc1nnn(C)n1 1740688464 QLUCKPVFXQWPSO-UHFFFAOYSA-N 410.482 1.132 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2[C@@H]2C[C@H]2CCC)CC1 1740708608 WAVGPJJMMBQBII-QZTJIDSGSA-N 412.538 1.727 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1740714886 NUHCSZAKTPIAEO-KRWDZBQOSA-N 411.535 1.752 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740808243 CUVJSYNFYXCRMU-MRXNPFEDSA-N 402.890 1.841 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740810693 FFVKRMFIOAKLDY-SOUVJXGZSA-N 400.932 1.796 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1740899794 IZLWDHGRBVPCTJ-INIZCTEOSA-N 409.487 1.421 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1740938096 YEKWCLHFGYFREK-OXQOHEQNSA-N 417.535 1.925 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740970674 PAHWHUWMIWMHTL-HZPDHXFCSA-N 411.572 1.781 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740978489 WJUMLEVQRZLPHS-SJORKVTESA-N 410.478 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740994354 PXZLFDYCFAATMZ-ZWOKBUDYSA-N 424.567 1.908 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1747411512 DUNXDXLHSGGUPB-SFHVURJKSA-N 407.471 1.830 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(COC(C)(C)C)on1 1748765435 HNSJFKLLYXEHDG-UHFFFAOYSA-N 400.483 1.935 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cccc(C(N)=O)c1 1748852823 MRKQPJDYVAALCY-UHFFFAOYSA-N 423.480 1.737 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCC[C@@H]1C 1748951128 SVRAFNNLLWWHQO-WMQCIHAUSA-N 406.527 1.567 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CC2)CC1 1748972612 LZIHQDRQRSYABN-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749455443 WBCXLCFIMDNAKA-GOSISDBHSA-N 402.543 1.491 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOC2=O)C1 1749694034 OGQYMTGRMZCEOG-MRXNPFEDSA-N 418.498 1.138 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)C1 1749707957 YAYIWRUHGMUJGA-INIZCTEOSA-N 418.523 1.341 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)C1 1749708637 KUBVHEVPXZYYJE-AEFFLSMTSA-N 412.494 1.843 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1760179974 RXOHBKSLOAXJOM-UHFFFAOYSA-N 401.442 1.348 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1760190230 OOMXTKWATLCJFE-AWEZNQCLSA-N 402.467 1.139 30 10 HDEE C=C(C)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760349161 BPJUQDWAEXFWJQ-LJQANCHMSA-N 412.556 1.908 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1760696821 LMPLESUFKYXNBB-CQSZACIVSA-N 408.553 1.562 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1761540039 MGHWBCRUOBRMAB-HOTGVXAUSA-N 419.457 1.685 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCOCC2)C1 1767509703 FCHHQIQYANPXAL-JOCHJYFZSA-N 410.522 1.746 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1771349658 ABZNOHBKCPAMNO-KRWDZBQOSA-N 412.475 1.400 30 10 HDEE N#CC1CCN(C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)CC1 1848755949 WLWLCRSPWOPUBK-UHFFFAOYSA-N 402.520 1.960 30 10 HDEE CCS(=O)(=O)c1ccc2c(c1)N(C(=O)CN1CCC3(CC1)C[C@H]3C#N)CCO2 1852240719 RPYQVOZAPBVOLN-HNNXBMFYSA-N 403.504 1.831 30 10 HDEE C=CCN1C[C@H](C(=O)OCCNC(=O)c2ccc(-n3cncn3)cc2Cl)CC1=O 1852499760 XEJQJCVQOIHYDR-CYBMUJFWSA-N 417.853 1.228 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)CC2 1852729810 ORHZINHPJISOHQ-OALUTQOASA-N 401.532 1.480 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2)C(=O)C1 1853953237 UKKNZNPTYCDADH-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCC[C@@H](Oc4ncccn4)C3)C2=O)ccn1 1853985274 LFNQPJNHUOWANM-QZTJIDSGSA-N 406.446 1.418 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@@H]1C 1854331591 KETHJPKPBKTGOG-HKUYNNGSSA-N 419.547 1.784 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C2CCC(F)(F)CC2)C(=O)C12CCCC2 1854487029 CLMAVOYEHRNCEQ-UHFFFAOYSA-N 403.451 1.649 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CC(Cn4ccnc4C)C3)C2=O)CC1=O 1854827774 TXEAAOJXEVPHBM-RTBURBONSA-N 413.522 1.066 30 10 HDEE Cc1nc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c2ccccn12 1854950177 QFKNRXVUPYZWJI-AEFFLSMTSA-N 408.506 1.694 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1854997395 YIWSHBBRGZESCJ-QZTJIDSGSA-N 403.523 1.287 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3nccc4ncccc34)C(=O)C2)C1 1855045550 GIYYAWUKJFEWKC-SJORKVTESA-N 406.490 1.681 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734078 GXLJAJHSRFAZRM-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3cccnc3O[C@H]3CCOC3)C2)CC1 1856148913 BWYRGMNHECZIQO-ROUUACIJSA-N 412.490 1.864 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC[C@@H](Cn4nccn4)C3)CC2=O)cc1 1856162300 XQKIVVKZXXQREY-WOJBJXKFSA-N 406.490 1.480 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)CCC(=O)N2CCN(C)CC2)c2ccccc21 1856694046 XEHVEULZODZYPQ-KRWDZBQOSA-N 411.506 1.613 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(Cl)ccn2)C1)[C@@H]1CCN(C)C1=O 1857069068 UUTHUIYLHJAESK-RHSMWYFYSA-N 404.898 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)C1 1857212568 QEHXVTIOEKQNLP-INIZCTEOSA-N 404.511 1.854 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861215233 ORKGVGQAMUGFTD-SJLPKXTDSA-N 404.486 1.090 30 10 HDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)cn1 1889328656 KYWIMTNQJMJAQL-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)nn2)CC1 1890207469 YRRFPMXRBFKUNB-UHFFFAOYSA-N 419.533 1.843 30 10 HDEE C#CCNC(=O)CNC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 1962769257 YTJOAHQBNSMXBB-OAHLLOKOSA-N 405.454 1.779 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2029309844 KGDUASBFTCTNCE-UHFFFAOYSA-N 408.476 1.444 30 10 HDEE C#CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074690559 KYLPITKUDKYJGI-HSUZBZBUSA-N 408.476 1.031 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2172712850 DOSQJJCJTCMDBZ-GFCCVEGCSA-N 400.737 1.905 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)C[C@H]1O 2172855272 VMEMOBWQIYVTAQ-RRFJBIMHSA-N 401.529 1.654 30 10 HDEE C[C@H](NS(=O)(=O)N1CC[C@H](O)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186631451 ROZCJABMGTZDJS-RYUDHWBXSA-N 402.347 1.009 30 10 HDEE Cc1cc(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)sc1C#CCN 2202280022 JXNXSJOREBPMNA-UHFFFAOYSA-N 405.545 1.602 30 10 HDEE CCN(CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243393302 PTWPLXMLCGHWBT-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243666692 BFHOGACWFOABQQ-GHMZBOCLSA-N 424.332 1.453 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2247916326 VTLRRFGBJHWYMC-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE C#CCN(C1CCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258174847 GLQUJXWWQSWVSV-KRWDZBQOSA-N 408.476 1.272 30 10 HDEE CCS(=O)(=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2269039350 SRHYPUJTAGJVRV-UHFFFAOYSA-N 409.722 1.267 30 10 HDEE C#CCCN(C1CCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270534165 DHLPWBDZNHSZTL-GOSISDBHSA-N 422.503 1.662 30 10 HDEE CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335207 MHJCUSZPNNINIT-CQSZACIVSA-N 402.391 1.912 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC(F)(F)CN3)s2)OC1(C)C 2282339663 ZNKXZUSKPVTUET-SNVBAGLBSA-N 408.301 1.323 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)S1 2282343957 SCFXFTBYOHDSOK-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@]2(C)CCNC2)OC1(C)C 2282494771 CCMWGYUNPUBNME-KRWDZBQOSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(N)CCCC2)OC1(C)C 2282496295 YMQHVIAYXCUKJE-UHFFFAOYSA-N 400.375 1.738 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC(N)CC2)OC1(C)C 2282499477 PUZOOISDYRYEDN-UHFFFAOYSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H]3CN)c(Cl)c2)OC1(C)C 2282827059 WKZLHGDITGLGKF-FZMZJTMJSA-N 400.737 1.655 30 10 HDEE Cn1nc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)cc1Cl 2282853754 IKNMPTBFAVGWMX-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@H]1CC[C@H](CO)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282862182 ZJQHBDMDTTVJEG-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2c(NS(=O)(=O)CS(C)(=O)=O)ccc(F)c2F)OC1(C)C 2283353959 NDOIIEHYZJQNFO-UHFFFAOYSA-N 411.257 1.008 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC([C@H](F)C(=O)O)C3)c2)OC1(C)C 2284397451 MCSYTMPUBDPLRO-LBPRGKRZSA-N 405.278 1.091 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@H](C)C(=O)O 2284413315 JGVYZYZYJOBXGY-VHSXEESVSA-N 403.331 1.743 30 10 HDEE Cn1nnc(Br)c1S(=O)(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2319754077 OFYNXLLTPZDXBL-VIFPVBQESA-N 421.126 1.434 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1N=Cc1ccc(O)cc1 2328468686 GZYQYUPVBOOBCC-UHFFFAOYSA-N 412.431 1.942 30 10 HDEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc1OC 2330784144 GMOZUJMBCGEJIA-UHFFFAOYSA-N 407.496 1.678 30 10 HDEE CC(C)(C)OC(=O)NCC[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365249565 YDVUKMAQEJEGNC-SFHVURJKSA-N 405.513 1.978 30 10 HDEE CO[C@H](C#C[C@H](N)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1CCCC1 2369588418 ULENCSLJBOXNDV-JTDSTZFVSA-N 400.541 1.604 30 10 HDEE CS[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2381310140 PLRVIMGRFSKXKU-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE C=CCn1c(SCC(=O)N(C)CC(=O)N2CCOCC2)nc2sccc2c1=O 10494659 MJDIEEWIIMMPHA-UHFFFAOYSA-N 422.532 1.053 30 10 HDEE Cc1cc(C)n(CC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c(=O)c1C#N 21354703 JDYUEVXGGZSMND-SFHVURJKSA-N 408.458 1.884 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 34667306 QTHOUQQKUFBSPX-VQTJNVASSA-N 410.486 1.179 30 10 HDEE N#Cc1ccccc1NC(=O)Cn1cccc(S(=O)(=O)N2CCCCCC2)c1=O 65213909 GZVIOKJMCUWHMW-UHFFFAOYSA-N 414.487 1.923 30 10 HDEE O=C(Cn1cnc2ccccc2c1=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96350947 ZVPCJQKMXIYIDM-UHFFFAOYSA-N 401.426 1.094 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 102751066 JYYCJINTVBPUDE-LYHOESIGSA-N 411.462 1.175 30 10 HDEE CCOc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 301155856 AGXSMHGOOITZOP-UHFFFAOYSA-N 400.504 1.927 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCN1CCN(c2ccccc2F)CC1 301386571 CUQWWBKAEZEXIJ-UHFFFAOYSA-N 417.510 1.969 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1C#N 443884390 XIMSMVABINLOBL-VQTJNVASSA-N 424.526 1.744 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 448373090 FUCGKCZZIOMAJM-UHFFFAOYSA-N 409.508 1.891 30 10 HDEE CC(C)[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)C(=O)N(C)Cc1nnc2n1CCC2 471386797 XFQFWIIFTAMKSS-FOIQADDNSA-N 424.505 1.663 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)c1 479037185 XORZKEDNZPJWKY-HOTGVXAUSA-N 410.492 1.334 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1C 480968145 XOCRYIYHFKMXAY-UHFFFAOYSA-N 412.492 1.911 30 10 HDEE Cc1cncn1C1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 505654246 IBDUEZHCDLLGFK-OAHLLOKOSA-N 401.492 1.594 30 10 HDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 533147871 BSJMIBAEFZBIMS-AWEZNQCLSA-N 407.517 1.672 30 10 HDEE COC[C@@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(F)cc1 538277762 XVAGEEJJGXQGFR-GOSISDBHSA-N 401.442 1.620 30 10 HDEE COc1ccc(CNC(=O)[C@H](C)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 544881256 AGDFBUGDEUSCMJ-INIZCTEOSA-N 409.490 1.797 30 10 HDEE COc1ccnc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 552860900 IETBOWRGQYQKLK-MRXNPFEDSA-N 410.453 1.671 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOCC)CC1 557003639 LOWFRKMADFYGKK-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](c2nc(C3CC3)no2)C1 557276441 CZAXWHXYKKSKDK-IUODEOHRSA-N 415.475 1.502 30 10 HDEE Cc1csc(NS(=O)(=O)c2cccc(S(=O)(=O)NC[C@H](C)C#N)c2)n1 560802636 RFOSPIKHCDLWRD-SNVBAGLBSA-N 400.507 1.690 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@]2(CCO[C@H](C)C2)O1 570865055 NHQYUSCXOORTAK-VCBZYWHSSA-N 407.492 1.022 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)CC2)nc1 618813082 RWOYRHLZKZBOEJ-VTZMRPLNSA-N 419.529 1.730 30 10 HDEE C#CCN(C(=O)c1ccc(I)c(F)c1)[C@@H]1CCS(=O)(=O)C1 729333045 JDUKPFBSUBMBCJ-LLVKDONJSA-N 421.231 1.693 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(C)cc2)C1)[C@H]1CCS(=O)(=O)C1 729334368 NGUPSYFZZPFMSE-OALUTQOASA-N 402.516 1.496 30 10 HDEE N#C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCN1C1CC1 732648784 ZUOMKYXRCYWNJU-OAHLLOKOSA-N 408.549 1.274 30 10 HDEE N#C[C@H]1CN(CN2C(=O)N[C@]3(CCCN(Cc4ccccc4)C3)C2=O)CCN1C1CC1 732672094 CSXBJCXNFYZFIL-REWPJTCUSA-N 422.533 1.203 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CCN1C1CC1 732706477 KVMOONDCENJCDI-GOSISDBHSA-N 405.458 1.798 30 10 HDEE CCOCCOCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1C 746037819 LHVFLGYUOZBUCF-IBGZPJMESA-N 414.506 1.685 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc([N+](=O)[O-])c2)c1=O 748064476 TWBPKGTVUJHKQM-UHFFFAOYSA-N 419.484 1.398 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(CCOc3ccc(Cl)cc3)CC2)CC1 748809708 HLKIYXAAFULHHU-UHFFFAOYSA-N 404.942 1.114 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@H]2O 768470927 ORYRAHZMTXWFDA-SJKOYZFVSA-N 401.444 1.680 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 772278065 KSQSYEBDMYSCLC-OAHLLOKOSA-N 412.515 1.504 30 10 HDEE CN(C)C1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)CC1 775148391 YRUMVVAXRLYVDM-NRFANRHFSA-N 424.549 1.354 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N2CCSC[C@@H]2C#N)C1=O 775497884 LOPWTTKHZRBJRZ-ORAYPTAESA-N 402.476 1.238 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C2CC2)C1 777378607 ZBMMBISUDBTWKG-DLBZAZTESA-N 405.520 1.777 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1 783528466 KGZZHYGDGPFPAZ-CAPFRKAQSA-N 423.520 1.443 30 10 HDEE N#Cc1ccc(NCCNC(=O)C(=O)NCc2ccccc2OC(F)(F)F)nc1 785640709 MYZUFGIJXQGUOW-UHFFFAOYSA-N 407.352 1.696 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 788107395 RMAIZTDYNYWCLX-ZBFHGGJFSA-N 417.514 1.299 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)nc3[nH]n(C)c(=O)c3c2C)n1 790105900 HANJNKJISPVUOQ-UHFFFAOYSA-N 424.505 1.316 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@@H](C(F)(F)F)C(C)(C)C2)c1=O 790462755 ZZOGEIVKGNEVAI-CYBMUJFWSA-N 402.417 1.412 30 10 HDEE C=CC[C@]1(C(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790696231 MRLBOUFTIOYEJY-XMDBHEJHSA-N 420.510 1.827 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)N(C)CCOC)CCCN1C(=O)OC(C)(C)C 791829358 GWEXIWYEIOJFPK-KRWDZBQOSA-N 405.517 1.271 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 794894349 XEJROBGOJDUXMG-KDOFPFPSSA-N 415.446 1.317 30 10 HDEE C=CCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 795956562 OXWYASOPWAQPAJ-MRXNPFEDSA-N 415.556 1.131 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1c2ccccc2NC(=O)C12CCCC2)n1cnc(C#N)n1 798744769 BQXXASLKHSLPOD-ZDUSSCGKSA-N 408.418 1.552 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 803645916 FTAQENKXVOFJPU-CABCVRRESA-N 420.535 1.411 30 10 HDEE COC(=O)CC[C@@]1(C)NC(=O)N(CN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 811743795 VFGFTRHYVQYMGC-OAQYLSRUSA-N 414.462 1.623 30 10 HDEE C#CCN(c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC)[C@H]1CCS(=O)(=O)C1 812041955 OBQUJSQLJDVECE-INIZCTEOSA-N 410.503 1.982 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812146825 GEJKTQNHJIYUIC-MRXNPFEDSA-N 419.463 1.126 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC(=O)N2C(C)(C)C)cn1 816402741 PDIDTQLONQHQAQ-WMZOPIPTSA-N 413.478 1.544 30 10 HDEE C#CCN(C(=O)Cn1c(SC(F)F)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 918755114 RXLPKDPEFMOMTR-GFCCVEGCSA-N 413.471 2.000 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCC2CS(=O)(=O)C2)C1=O 1116762012 XMSYNIJNKQXYHP-LBPRGKRZSA-N 401.535 1.250 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccoc2CC(=O)OC)c1 1125488713 AXLBKYCZFWRYAQ-UHFFFAOYSA-N 410.426 1.482 30 10 HDEE C=CCCOCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1130902507 URMGVYKGVLIDII-OCCSQVGLSA-N 408.417 1.959 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)CCS2(=O)=O 1134859544 SQGQGXPLNVLONQ-TXKKKEFDSA-N 410.879 1.840 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)cs1)C(N)=O 1136041164 QYHONFCHPNKPSI-LBPRGKRZSA-N 416.532 1.267 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)c1 1140839746 RKBMRMRQIOUSTR-INIZCTEOSA-N 415.515 1.628 30 10 HDEE COc1ncc(Br)cc1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 1147675704 DBKASKLNQBLJHQ-CCEZHUSRSA-N 409.240 1.385 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCOC[C@H]3OCCOC)n[nH]2)c1C 1154565776 JNKYAQQRHWYPTC-CRAIPNDOSA-N 403.483 1.626 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1156672026 CESCOBGWUZGKSP-OKZBNKHCSA-N 413.584 1.062 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(OC(F)F)cc2)c1=O 1166615420 VCMVXDMMJMMTIW-UHFFFAOYSA-N 407.373 1.873 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1167477235 GZRQLWGRLRIJFU-UHFFFAOYSA-N 401.492 1.988 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OCC 1171439824 PLJZIBFKQYJUDY-OLZOCXBDSA-N 401.868 1.802 30 10 HDEE C#CC1(F)CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1196787252 DOJQDAPRPZQRIU-UHFFFAOYSA-N 411.455 1.295 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCCC)c2ccc(OC)cc2)CC1 1226748846 ZKXXVWYIGMTMNL-IBGZPJMESA-N 422.551 1.721 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cn2ccc(C)cc2n1)[C@H]1CCS(=O)(=O)C1 1286390912 APFZRZOJXPENNF-KRWDZBQOSA-N 412.519 1.472 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1286451275 XAMDVCNZTUIYRC-GOSISDBHSA-N 408.506 1.909 30 10 HDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1)C1CC1 1286734994 KEBDZSCRPSZOIU-UHFFFAOYSA-N 412.450 1.867 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286966531 ABWLFWFKSQQIPS-ILXRZTDVSA-N 416.448 1.641 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1287008245 SZAINDAJAHUJBR-UHFFFAOYSA-N 420.525 1.851 30 10 HDEE CC(C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1287689918 CPZGLYDVKXJNOZ-UHFFFAOYSA-N 422.493 1.974 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1291827373 ADBXQVAPVKKWDO-TXDAXLQXSA-N 422.505 1.749 30 10 HDEE N#Cc1cn(CC(=O)NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c(=O)nc1O 1294416805 GBJHOBHXXAZWFZ-OAHLLOKOSA-N 416.743 1.040 30 10 HDEE CCN1CC[C@@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1296035719 DRCOYHVMANIUOI-CRAIPNDOSA-N 411.466 1.924 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 1300348366 YQEPYOWSDIAFKT-BMFZPTHFSA-N 421.519 1.852 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1=O 1300430937 BQLPRDFSMZYSER-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1300469134 ZNLLFABLTFEDFH-QGZVFWFLSA-N 411.506 1.442 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)CC 1300548236 YBMZMEBRHNXVEK-UHFFFAOYSA-N 404.467 1.504 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1c(C)noc1C 1300663939 LHZNJCSEBZVRBZ-CZUORRHYSA-N 400.483 1.724 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCOC2)CC1 1300726250 JMDHGRFVMRHNSE-GOSISDBHSA-N 408.506 1.266 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)CC1 1301085838 BNCKPNFNPNNJRR-KRWDZBQOSA-N 404.540 1.932 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn2ccsc2n1 1301422329 HELCTMPDDFUBKE-CQSZACIVSA-N 401.496 1.626 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1301490908 HYNIDJAFRFIDFM-UHFFFAOYSA-N 422.493 1.364 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C)C1 1301514256 HMAFYYFKDOPJRU-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC[C@@H]1C 1301586088 DCXYLSSKGPWHHO-INIZCTEOSA-N 420.535 1.703 30 10 HDEE CN(CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)S(=O)(=O)c1cccnc1 1303200392 KVHZMCBEGAOYDO-UHFFFAOYSA-N 423.344 1.787 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCCCC1 1303412365 WROUGVXHNLAEEL-KRWDZBQOSA-N 404.515 1.884 30 10 HDEE C#CC[C@H](CO)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1312733390 JFVKRTFWBZKSCV-CRAIPNDOSA-N 407.536 1.299 30 10 HDEE Cc1ccc(C(=O)N[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C(C)C)cc1 1351735060 FDHVBVLDMFSLHJ-KRWDZBQOSA-N 410.478 1.820 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1358872318 SJTRVFHSVAPIRT-JUVOFCAFSA-N 411.572 1.942 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358956762 KKMLMCHGKLMNOI-RVKKMQEKSA-N 412.581 1.286 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CN(CC(C)C)CCO1 1359024816 WPBRNZSOBOVQHJ-UXHICEINSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCNC(=O)Cc2cccc(F)c2)CC1 1359028752 CTWZADHKWYQCGX-UHFFFAOYSA-N 412.513 1.655 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](C)(C(N)=O)C1 1359099613 QPAUCMKGUYOUMX-JJDSTIRJSA-N 403.527 1.855 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1359123007 JDPAGWSMNUNZKW-SFHVURJKSA-N 418.567 1.948 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1359132625 BGCCNWSKWOTBMA-FQEVSTJZSA-N 419.570 1.923 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359303674 WXSMPHLBZBSQJJ-RTBURBONSA-N 422.533 1.613 30 10 HDEE CS(=O)(=O)Nc1nnc(NC(=O)Cc2ccc(Br)cc2C#N)s1 1442072614 UHVVRFFUWOZHLH-UHFFFAOYSA-N 416.282 1.725 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1442974023 OLKCXRGMQIGETR-SJORKVTESA-N 408.543 1.352 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cn(CCCC#N)c2ccccc12 1454619103 VNAMYHFHSRWPDC-OAHLLOKOSA-N 417.487 1.747 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)CC1 1460024346 RUFATJMMNJAVBF-KBPBESRZSA-N 404.467 1.038 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1463495966 DNZPHQTXFGCDMO-HNNXBMFYSA-N 414.443 1.214 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CCCS(N)(=O)=O)c2)c1 1463899040 NFXRQUINGACKCY-UHFFFAOYSA-N 400.456 1.880 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@]3(C)CCCS3(=O)=O)c(C#N)c2N)cc1 1465599786 JFNYDXBFDJJPEJ-HXUWFJFHSA-N 415.519 1.651 30 10 HDEE CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@]1(O)CCOC1 1469351574 QZJQXKVDSSNQDV-JLTOFOAXSA-N 405.882 1.858 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1470101528 CMJNJKQVDHNMAU-WMZOPIPTSA-N 403.479 1.532 30 10 HDEE COC1(OC)CCOC[C@@H]1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1470327486 RBRVKUAEWYYJJP-KRWDZBQOSA-N 405.300 1.802 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2nc3c(s2)COCC3)c1 1472132958 ZHAVNRHDLVLRTG-UHFFFAOYSA-N 404.513 1.985 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H](NC1CC1)C(F)(F)F 1472630959 QYVOXKFFLWZWFC-AWEZNQCLSA-N 418.441 1.304 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OC 1475577888 CKNRYBBXNDGHQL-NSHDSACASA-N 423.260 1.473 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1478504284 GMMYPSASEPFPSM-KSZLIROESA-N 406.508 1.359 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1499184504 LUGPJNYQTYIUIB-LJQANCHMSA-N 421.549 1.949 30 10 HDEE CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1502324685 UBLIIXYSBFXBEU-LZICOFPGSA-N 424.509 1.330 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)C1 1502476499 AFMWBYCFECNRPX-INIZCTEOSA-N 406.512 1.508 30 10 HDEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1504609175 NHQCIAMYORNFTF-QGZVFWFLSA-N 400.458 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507526550 PMHRNHALNBRAHP-HZPDHXFCSA-N 417.535 1.693 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1507542493 QLQFPPJDLXEVAA-ZDUSSCGKSA-N 402.524 1.500 30 10 HDEE C#CCCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1507573363 FYHBOPSJNZNEFY-PXNSSMCTSA-N 424.567 1.747 30 10 HDEE C#CCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@@]1(OCC)CCOC1 1507600242 XJMMGWKHYFPDHW-JOCHJYFZSA-N 422.489 1.879 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1CC 1507615767 BBVXRYBZUQMALF-ULQDDVLXSA-N 409.556 1.507 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1507641625 BPUPTFWXMJCBOY-CNNODRBYSA-N 416.522 1.803 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507697407 GLSLDMSOTAJGJA-GOSISDBHSA-N 419.526 1.892 30 10 HDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1507836779 ZUVNGVPTSOUYKY-FQEVSTJZSA-N 401.515 1.566 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CCC)C2)CC1 1507883198 ZXDRLTZBJFMJTC-SJORKVTESA-N 410.588 1.777 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507954098 KTLNUGREVUSNHT-INIZCTEOSA-N 416.526 1.066 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1508072889 LCVYASNBAQYOEI-HOTGVXAUSA-N 413.478 1.632 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1508134372 DDSKNHWQXQXUIL-QGZVFWFLSA-N 417.535 1.677 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1509945897 FQOQCHMLMRBNBD-DNTCVELPSA-N 420.477 1.529 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)N(C)C1CC1 1510074803 BHXCKECGSQKIKQ-DOTOQJQBSA-N 423.521 1.523 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1517044133 UYRQKJVACYPXHJ-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1517156782 KRHYTWPTLLPZIK-WUKNDPDISA-N 412.498 1.472 30 10 HDEE Cc1ccc(C)c(N2N=C(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CCC2=O)c1 1523978937 BNWLNHFMWZOFHH-UHFFFAOYSA-N 421.461 1.856 30 10 HDEE CO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C 1526128623 AWYWNXHTQARUAT-DNVCBOLYSA-N 405.520 1.842 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)cc(OC)c1OC 1537837825 FGYSAFSWUAFUBL-WMLDXEAASA-N 419.478 1.667 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1cccc(Cl)c1 1538761387 YJZRVYLEWYVQMO-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538766219 SIOMBJHUGPBKTK-MEDUHNTESA-N 424.276 1.096 30 10 HDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1539081941 ICQHIULUKQIABF-UHFFFAOYSA-N 418.519 1.904 30 10 HDEE C#CCCCn1c(N2CCN(C)C(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539139880 JFPHQMYQNLGBGI-IYBDPMFKSA-N 416.526 1.741 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539211248 JSQUKNBUJRVTOV-KRWDZBQOSA-N 400.504 1.487 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1539369678 OAEVUPKZXLMHKG-KRWDZBQOSA-N 417.535 1.872 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@H](O)C2)CC1 1539427299 ABGAGMPWXJZQAG-HKUYNNGSSA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCCCC2)CC1 1539446322 WOBZBYAQGGFPTH-UHFFFAOYSA-N 408.554 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCc2ccn(C)n2)CC1 1539481796 FPBYBTJAZJDQPU-UHFFFAOYSA-N 411.554 1.809 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539526915 WMKBXFLEDGEONT-INIZCTEOSA-N 422.580 1.129 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539710094 MFRZJZBUPAOLEG-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1539729878 MDCKXGTYMGFSIQ-UONOGXRCSA-N 403.574 1.423 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1540047244 FRRBXFYNPULOIV-NSHDSACASA-N 418.445 1.973 30 10 HDEE C=CCN(C)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1540084085 MYCLATSKNMIJRI-UHFFFAOYSA-N 404.536 1.625 30 10 HDEE CO[C@H](CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1540647619 CMMGBAUWTCPDSQ-CQSZACIVSA-N 405.398 1.359 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(=O)(=O)NC)c2)c1 1540730397 CLGXGUXZWAEOAP-UHFFFAOYSA-N 420.512 1.322 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCOCC1 1540744599 GHDSNRWBKLNKII-QGZVFWFLSA-N 402.495 1.841 30 10 HDEE C[C@@H]1CNc2c(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cnn2C1 1540796937 FBQKIWHEMLJWMD-CQSZACIVSA-N 404.478 1.947 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)(C)C)C1 1540883295 XGMNKIZOYNJCDU-OAHLLOKOSA-N 406.531 1.502 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2C)C1 1540883749 DPFVDZGQCCRREX-OXJNMPFZSA-N 417.514 1.277 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C2CCC2)CC1 1540901261 YBGKKJQTSMRTHS-UHFFFAOYSA-N 418.567 1.559 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1cccc(Br)c1 1545824311 UFKUIEZCMOAUHD-CQSZACIVSA-N 409.265 1.503 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1545928708 HWFIYGLMJPRMEA-WMZOPIPTSA-N 417.558 1.657 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)[C@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1546110233 UHDYIKKEVOJYEK-QAPCUYQASA-N 401.488 1.691 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1O 1555940146 CZJLZTXKDYVFQO-PBHICJAKSA-N 415.519 1.601 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(OCCOC(C)C)CC2)c1 1556997736 VLTFZKZSCXISGH-UHFFFAOYSA-N 408.520 1.644 30 10 HDEE C=CCC1(O)CN(C(=O)CNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1 1558316596 HQFCDOFRIYPKMS-UHFFFAOYSA-N 412.817 1.787 30 10 HDEE CCS(=O)(CC)=NS(=O)(=O)NC1CCC(Oc2ncccc2C#N)CC1 1561488332 FQHAOLRMRPLWLH-UHFFFAOYSA-N 400.526 1.985 30 10 HDEE COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566872868 MLMUNKSWIFUYDH-DLBZAZTESA-N 408.495 1.816 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1569207535 KJCIALCTHSHUJI-MJGOQNOKSA-N 402.472 1.944 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1569721356 FXASMBXUGXZFES-SOUVJXGZSA-N 400.504 1.446 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NCc2c(I)cnn2C)c1 1583134052 GIPOHCDRQXUKFB-UHFFFAOYSA-N 409.231 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCSC[C@@H]3C#N)nn2)C1 1583725860 QKRKBXWAJTYVDX-KBPBESRZSA-N 406.512 1.931 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN(C)C1=NS(=O)(=O)c2ccccc21 1583812025 QAVKOXUVCUBIOH-QGZVFWFLSA-N 412.471 1.131 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1587673006 JBKXVKATOXQTIO-MRXNPFEDSA-N 413.478 1.182 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1587879169 OTPIJSSDAWZREA-HXUWFJFHSA-N 411.554 1.712 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OCC 1587990613 ZGEYQKUPXCATDV-QGZVFWFLSA-N 402.520 1.891 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Cl)cn1 1588079425 WQACZLQNRORDMN-UHFFFAOYSA-N 408.853 1.548 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1588837393 SMAWIVRAZDLCLB-IBGZPJMESA-N 400.571 1.880 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOCC(F)F)CC1 1588849122 ZQJHDWKUBBBNKW-UHFFFAOYSA-N 404.465 1.691 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@@H]1C 1589495386 QMHBPQWDGRMOBQ-FAJBIJEISA-N 421.542 1.650 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCCOC2)n1Cc1nnn(C)n1 1595156191 HYMDBMINGAVZAH-AWEZNQCLSA-N 400.512 1.998 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1595421343 BTFWWDJADRLBTF-UHFFFAOYSA-N 410.569 1.585 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC=C(C)C1 1595537338 PPBAYKSQSUHBGM-UHFFFAOYSA-N 419.489 1.651 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1603662197 DMZYARGTUZMXAE-ZFWWWQNUSA-N 410.268 1.429 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(F)(F)Br 1608399821 GRTBDZDIYQADNP-LBPRGKRZSA-N 409.210 1.846 30 10 HDEE C#CC1(O)CCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)CC1 1611604390 WDGVTBNPGOPGNE-UHFFFAOYSA-N 418.519 1.013 30 10 HDEE C#C[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C1CCOCC1 1618324802 ZXRFIBBYXAIPBD-SFHVURJKSA-N 414.462 1.422 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(-c2ccccc2)c1C 1619577091 YHCDAORRRWNYGH-UHFFFAOYSA-N 422.533 1.610 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1619990608 WLONCBWSJWLYGR-BBRMVZONSA-N 415.491 1.021 30 10 HDEE CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 1624906294 FDPZZSSFNINUGY-MRXNPFEDSA-N 423.878 1.885 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)[C@H](CO)NC(=O)c1ccc(F)cc1 1628713572 OGQQHPOXRWLLMX-SFHVURJKSA-N 401.463 1.838 30 10 HDEE CN1C(=O)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)Cc2ccccc21 1629619046 JTAWIUQYZAVZCL-UHFFFAOYSA-N 412.471 1.120 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)cc1 1630422448 TXLLJBVKENASKQ-UHFFFAOYSA-N 406.504 1.840 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1630478389 CEVCRBJPYBNKSU-OKILXGFUSA-N 423.473 1.886 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@@H]1N1CCN(C)CC1 1630635253 FEUQWGYZXJWWTP-BEFAXECRSA-N 422.526 1.221 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1632326655 PMOCCSUKVUKNLR-UHFFFAOYSA-N 415.475 1.301 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1636607607 ZRGFUIVUYGEWHN-AWEZNQCLSA-N 411.480 1.370 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1 1637124203 HAOMHUAKVHEWFN-DFQSSKMNSA-N 402.516 1.860 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1)C1CCOCC1 1637128423 OWFDVNHQOYRPLV-OAQYLSRUSA-N 413.518 1.910 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1638082891 BESJDXRDVRRZQE-IOANDJKRSA-N 400.523 1.987 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)OC)C2)cc1 1639459718 QUJQSBOCXZNAPU-OXQOHEQNSA-N 406.504 1.956 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(Br)s1 1644160758 SDDJXBKBLRADBF-UHFFFAOYSA-N 415.294 1.261 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)c1 1644916847 YDPFAKQZYNINJQ-QGZVFWFLSA-N 405.472 1.135 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CCN1CCOCC1)CC1CC1 1646426351 CMJLJQAJODYQSQ-UHFFFAOYSA-N 410.522 1.721 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1649538206 AVVLDZDWPNQQHP-FOIQADDNSA-N 407.515 1.913 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C(=O)CC)CC3)CC1 1655102925 HZBBOUADTAMLJY-UHFFFAOYSA-N 403.504 1.136 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C#N)nc(C3CC3)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655918192 VTCUJDHZFCACLG-CABCVRRESA-N 419.507 1.448 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)Cc1nnc2n1C[C@@H](C(F)(F)F)CC2 1656945488 DIHCXRQGNSZQDS-NEPJUHHUSA-N 408.450 1.561 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F 1659671941 BUSMQNODRSJCCP-LBPRGKRZSA-N 419.544 1.982 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@H](O)[C@H](F)C1)CCCC2 1660563175 QEMVHJFNLWNDCO-YJLNNSPDSA-N 404.486 1.761 30 10 HDEE CC(C)C[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1663458398 CQLLRUZTSWIPFD-ZDUSSCGKSA-N 418.288 1.995 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)C1 1669559776 CRFWFUOWQPZJST-HOCLYGCPSA-N 418.469 1.726 30 10 HDEE O=C(NCC(F)(F)F)[C@@H]1CCN(C(=O)NCCOC(F)(F)C(F)(F)F)C1 1675738390 JVRHZSMHYJJQAM-SSDOTTSWSA-N 401.254 1.868 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O 1681288387 XTNAATOITKEGFO-CXAGYDPISA-N 401.492 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]1(CNC(=O)NCC(=O)NCC#N)C(F)(F)F 1682185378 KZQLTYVSXAPHQQ-OAHLLOKOSA-N 407.393 1.257 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CCN(CCC#N)CC3)cc2)C1=O 1682489776 HJSSVCSAYCUAGT-QFIPXVFZSA-N 424.505 1.652 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1689826552 QGLPRXCNOOPMRF-IQUTYRLHSA-N 423.514 1.393 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1689852738 JYHYMKLNHNHRSR-GOEBONIOSA-N 409.556 1.505 30 10 HDEE C#CCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1689941964 YTLUXNUFSJWDOX-DENIHFKCSA-N 417.554 1.502 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC)[C@H](C)C1 1690156257 ULQPCRDYBKNNFM-MRXNPFEDSA-N 413.551 1.822 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1690170987 UADQLYQSRQEDAZ-DLBZAZTESA-N 402.568 1.660 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1690506469 ORUVNFNOWKTVMS-UZLBHIALSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC(C)C)C1CCCC1 1690671244 RUYNBTSKAGOODH-INIZCTEOSA-N 423.583 1.887 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1690688648 YVNQGBRPTGVTEP-QGZVFWFLSA-N 406.508 1.850 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](COC)C1 1690726855 NTEBQSPDQAENMH-GOSISDBHSA-N 419.551 1.728 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690742501 SJTOQZNSOTWXOX-OAHLLOKOSA-N 404.584 1.864 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1conc1COC 1694326566 JEDKPKWGKVYYSA-LJQANCHMSA-N 419.461 1.821 30 10 HDEE CCOC[C@@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1696361990 COVYWMJIXAVMDC-MEUCICPISA-N 414.510 1.935 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)cn1 1696854334 JMUZEWWEPCXNMK-CQSZACIVSA-N 407.356 1.959 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c(OC)c1 1697381713 XDLLOZLYDCAFMV-INIZCTEOSA-N 417.466 1.090 30 10 HDEE COCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1698184927 DBHWCYUEQSNEOO-RBUKOAKNSA-N 413.478 1.932 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@H]2COCCO2)n1 1705632089 VLFLRMPGMXEWCD-SFHVURJKSA-N 400.483 1.054 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCn2cc(Br)cn2)CC1 1705638591 PYKIDKUTSRTHLQ-UHFFFAOYSA-N 404.316 1.570 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H](C2CC2)N(C)C)CC1 1705640772 FWQMCJLJSFPFFS-NRFANRHFSA-N 422.577 1.973 30 10 HDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)NC)CC1 1705771416 RZLQTHGDVOOUSY-UHFFFAOYSA-N 405.524 1.605 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(N)=O)CC1 1705899121 IQIZKBBFOMYOIM-UHFFFAOYSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1705904454 PTIIFEZCDNGCPG-UHFFFAOYSA-N 411.510 1.701 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1706937243 VNFQBBWTPDSXFD-OAHLLOKOSA-N 423.539 1.199 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCS(C)(=O)=O)o1 1707358480 CWHLEGMWQCMRJU-QGZVFWFLSA-N 411.459 1.350 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1=O 1712471057 YTSDPSGUXOKMPL-ROUUACIJSA-N 416.526 1.407 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722315252 KBXDJROYNYUJBX-ZWKOTPCHSA-N 422.537 1.928 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722334906 NDCCWYKWVNACQY-QGZVFWFLSA-N 416.551 1.443 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCN1CCCO[C@H](C)C1 1722425258 SFFVDYUOHXCYGW-GOSISDBHSA-N 400.527 1.860 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCO[C@H](C)C2)CC1 1722435531 PHKLXHWKLHSJLM-HXUWFJFHSA-N 423.565 1.596 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@H]2CCCO2)CC1 1722436548 IPKUMNPSWYSWJQ-WOJBJXKFSA-N 417.554 1.861 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(COC)cc2)CC1 1722436556 JBANSSUWBUZSHL-LJQANCHMSA-N 408.506 1.179 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 1722471660 MUELCROSDKTODB-DNVCBOLYSA-N 407.540 1.436 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722739067 DYBFGBNOSXWSLD-OXJNMPFZSA-N 423.583 1.905 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOCC1CC1 1723946646 YUCFKQQLQKEJGK-DNVCBOLYSA-N 424.571 1.835 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1729108452 GSDFPBGNVBPCSW-XMSQKQJNSA-N 410.522 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740549639 NESPPZIVJKLZBR-IHPCNDPISA-N 422.533 1.588 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1740589662 DTCRRQLAMJQCHV-OALUTQOASA-N 416.570 1.622 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740627955 LXRFARUULAZGSN-SFHVURJKSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OC)c1OC 1740653730 WPQZOPJYWUHLDO-QGZVFWFLSA-N 407.474 1.758 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1740695327 NKRYCODYKPXOLA-ICSRJNTNSA-N 411.554 1.885 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCC[C@H]2C)CC1 1740703780 ADAMZVOYJZXWAE-HXOBKFHXSA-N 424.549 1.801 30 10 HDEE C=C(C)Cn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1740784924 CNWNRMDZDPPOPU-FQEVSTJZSA-N 404.515 1.500 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1740791123 UWBOGDDRFYPZGJ-UHFFFAOYSA-N 405.524 1.946 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCO1 1741753689 GLYZDWZFUUCRRH-GOSISDBHSA-N 422.493 1.624 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cs1 1748375114 AJVYRNUNOKNGBO-BNOWGMLFSA-N 417.495 1.170 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1748640386 UKJDIGJBDUUHOQ-CVEARBPZSA-N 410.588 1.468 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1748672411 UFKJYEAWFLXISX-CHWSQXEVSA-N 423.461 1.411 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sccc1C 1748962659 NLTPRQGESKQMCW-OAHLLOKOSA-N 408.549 1.684 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OC)c1OC 1748962865 SNOYOUWBUHCYDG-QGZVFWFLSA-N 400.479 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[S@](=O)C(C)(C)C)CC1 1748989690 BBOHOHXNQHSXAY-UULLZXFKSA-N 407.584 1.475 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749019968 HHERDBBSNXTCSW-OLZOCXBDSA-N 419.473 1.939 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749022561 KJUKYFURDHUYSW-ABSDTBQOSA-N 424.567 1.753 30 10 HDEE COC[C@@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1749353235 QQPVLXHQKSLHFO-NWDGAFQWSA-N 413.251 1.749 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749399003 YIVQZKPSDUWGNZ-JKSUJKDBSA-N 424.571 1.351 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1 1749575020 KBAYTJZRJMNKHG-OAHLLOKOSA-N 419.507 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749659796 JQQPHCQWFOLRFF-AZUAARDMSA-N 424.549 1.794 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCc2ccccc2)CC1 1749669731 NAJCJEGYDCVEDG-FQEVSTJZSA-N 424.549 1.449 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccnc1C 1750008805 QIMXXFNGELLRFB-HZPDHXFCSA-N 401.471 1.072 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750377927 CGSQZEZXRQORFA-KDOFPFPSSA-N 404.471 1.141 30 10 HDEE CC#CCCCC(=O)NC[C@]12CCC[C@H]1CN(C(=O)[C@@H]1OC[C@@H]3COCC[C@@H]31)C2 1757873576 ZGOOXFLKQXYBRN-ILZLQZNLSA-N 402.535 1.976 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OC)c(OC)c2)CC1 1760260502 VCWDAQCJJYMFIQ-KRWDZBQOSA-N 424.505 1.050 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccoc2CC(C)(C)C1 1760514400 DQOGEJCTIPWVDO-UHFFFAOYSA-N 414.510 1.900 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1760521084 JEFWHHVSBHPSIV-ZWKOTPCHSA-N 424.505 1.579 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)N2CCCCC2)C1 1760541367 AWFMMVSHMOVBHQ-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2ccc(-n3cncn3)nc2)C1 1760547746 QOIPRSIWUAHVCY-QGZVFWFLSA-N 410.482 1.620 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1760548191 ACOQYAKPRXXSDH-INIZCTEOSA-N 411.572 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2csc(C)n2)CC1 1760550942 OMKQROITOXXWID-UHFFFAOYSA-N 410.569 1.274 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCOC2)cs1 1762279778 NZVLIKKQIIDZFE-IBGZPJMESA-N 402.524 1.915 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1766386060 KMYURRQORKIHKS-LEWJYISDSA-N 418.542 1.927 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCSC)CCOC1 1767472783 IMTHOPTWNVOXAI-FXAWDEMLSA-N 420.583 1.860 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O)[C@H]1CCSC1 1768544863 MTWLQAUHIWNMJF-INIZCTEOSA-N 420.564 1.698 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1768984015 ZYJWPVZZUPWMLA-QGZVFWFLSA-N 420.477 1.585 30 10 HDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1769357695 VUWKSQREFHZFEJ-DOTOQJQBSA-N 413.457 1.721 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 1769950861 XNQOROWHBJABIM-UHFFFAOYSA-N 423.521 1.111 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)C1CN(c2nccnc2C#N)C1 1849624176 RXZFLEOAOWKURM-ZDUSSCGKSA-N 410.865 1.702 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)C(=O)N(Cc3c(Cl)cccc3Cl)C2=O)CC1 1852403915 MONYJEFXMUIKIE-UHFFFAOYSA-N 409.229 1.704 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N=C1NN(c3ccc(Cl)cn3)C[C@@H]1C)CS2 1852787094 QKLUYWBINAGRDE-NWDGAFQWSA-N 418.910 1.908 30 10 HDEE N#CC1(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1853211811 HBNADUXBPYIKNW-SFHVURJKSA-N 400.504 1.229 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)nc2ncnn12 1853681276 XLTLRAZOABRCTE-INIZCTEOSA-N 409.494 1.789 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CCC1=O)n1nc(C2CC2)ccc1=O 1853686983 DHRVJDYGUTVHSU-DOTOQJQBSA-N 411.506 1.682 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C[C@H]4CCOC4)C3=O)CC2)CC1 1853690930 LDMZCRWKLLREQQ-IEBWSBKVSA-N 416.522 1.015 30 10 HDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854083829 LLTJUYWKYMDAKQ-RTBURBONSA-N 417.531 1.373 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCc4cc(Cl)ccc4C3)C2=O)CC1=O 1854213267 NHGLLNFIDRFYRS-SJLPKXTDSA-N 401.894 1.860 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C)cc3C)C2)CC1=O 1854317854 PSIVGEIIACMROI-GOSISDBHSA-N 419.547 1.703 30 10 HDEE C=CCN([C@H]1CCN(C(=O)COc2ccccc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1854331441 XGTQOHQNNKQLQZ-CVEARBPZSA-N 405.882 1.565 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@H]1C 1854332009 RXZCWIDKQVFZDK-GDBMZVCRSA-N 424.523 1.080 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCCCCC3)cc2)C(=O)C1 1854522594 KRRQDVAQBYWQNK-UHFFFAOYSA-N 404.492 1.205 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)C[C@H]3CCCO3)C2=O)CC1 1854809725 RWRILKWSOXBRED-MOPGFXCFSA-N 411.506 1.552 30 10 HDEE COC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)C1 1855022714 GYFHBWXDXISIDU-RHSMWYFYSA-N 416.453 1.735 30 10 HDEE Cc1cc(N2CCN([C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)ncn1 1855377699 UPSPRCWOTMILRH-IBGZPJMESA-N 404.474 1.149 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C1=O 1855435174 JZAYJTXOXDRSRY-MAUKXSAKSA-N 418.519 1.730 30 10 HDEE C[C@]12CCC(=O)N1CCCN2C[C@@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1855807039 NCKJSIIAJSWTCA-WMZHIEFXSA-N 408.502 1.910 30 10 HDEE CC(C)C[C@H](F)C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855836796 BRSASLFQZOYWOE-WMZOPIPTSA-N 401.486 1.835 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H](F)CC3CCC3)C2)C1 1856386212 LZYHCHSTVGQDNN-RDJZCZTQSA-N 400.454 1.920 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1856521170 LUONCSXHCLKVIC-SJLPKXTDSA-N 400.483 1.071 30 10 HDEE Cc1cc(C)cc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856653385 STDFRPSHZOAGMD-QGZVFWFLSA-N 405.476 1.830 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1857062105 DQQNKYZINMHPHP-INIZCTEOSA-N 404.492 1.394 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@@](F)(C(=O)N(C)C)C3)CC2=O)cc1C#N 1857354921 COGBMCYHQNXQME-VFNWGFHPSA-N 400.454 1.358 30 10 HDEE C=CCN([C@@H](CCC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872274576 CNSKWRODRBSQPS-IBGZPJMESA-N 408.568 1.993 30 10 HDEE C=CCN([C@H](CCC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872274577 CNSKWRODRBSQPS-LJQANCHMSA-N 408.568 1.993 30 10 HDEE C=CCn1c(C(=O)N2CCC(N(C)C)CC2)cc2c(N3CCN(C)CC3)ncnc21 1873561535 OYXIBBRLVDPOQC-UHFFFAOYSA-N 411.554 1.535 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)O 1885479521 OBGFNVYAQHEDNK-AEGPPILISA-N 412.508 1.984 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)C(=O)O 1993921717 SWQBMIYYGSWMFD-KRWDZBQOSA-N 417.506 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2CCN(C(=O)C#CBr)CC2)CC1 2006264087 BAQUYPTXYAXWQY-UHFFFAOYSA-N 400.317 1.886 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)[S@@](=O)CC1(O)CC(C#N)C1 2074691837 PRKCMCHBAYKYGT-IGZYGXDXSA-N 408.476 1.558 30 10 HDEE CC(C)(C)OC(=O)NCC1CCS(=O)(=NS(=O)(=O)N2CC(C#N)C2)CC1 2118165702 DUINHYCTVAQJHW-UHFFFAOYSA-N 406.530 1.089 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)C[C@]12CCOC2 2174784555 PIVFFGGHVMEFHL-RKVPGOIHSA-N 401.529 1.870 30 10 HDEE C[C@H](NS(=O)(=O)N1CC[C@@H](O)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186631450 ROZCJABMGTZDJS-NWDGAFQWSA-N 402.347 1.009 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1C#N 2187586480 XOHIKPHAWNDCPW-UONOGXRCSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC(F)(F)C[C@H]1CC#N 2233994684 MLUAOCBLZKEJLV-NEPJUHHUSA-N 409.455 1.464 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)cn1 2248440060 DTEVLBGGLBSNFM-UHFFFAOYSA-N 416.287 1.866 30 10 HDEE CC1(CCNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)OCCO1 2255778402 QULVFOWIPKSEIZ-UHFFFAOYSA-N 418.346 1.015 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2C(=O)NCCCS(C)(=O)=O)OC1(C)C 2282051104 FZPDGUGVWVLVJQ-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](N)C1 2282320296 GJTCNJIKHYJPBJ-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282331615 PPNXZWJEACFYGU-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE CN(Cc1nc[nH]n1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282421416 NMRDHZBATZZAKI-UHFFFAOYSA-N 418.737 1.640 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@@](C)=O 2282507297 FRWKTJCNJMWBKG-YMXBGEKHSA-N 401.359 1.172 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)O 2282511855 PGPARUZVPLKZPJ-SJKOYZFVSA-N 401.359 1.829 30 10 HDEE Cc1sc(C(=O)NCC(C)(C)S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282656637 VDEYJHXBKSFSCC-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282832938 DFVDMGCYNKIVHS-VXGBXAGGSA-N 402.347 1.429 30 10 HDEE CC(C)[C@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870183 OBDTTXDGLNGXSR-AWEZNQCLSA-N 403.375 1.731 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(CCC(=O)O)C3)c2)OC1(C)C 2284401452 AVKYOAHMZRTOKY-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284405507 LQLXQDWRMBXBKU-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2302856016 CCOIEEONYCXOCH-CQSZACIVSA-N 411.267 1.891 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(F)c(C#CCO)c(F)c1 2341210772 NTOJCGKRSDMWGG-UHFFFAOYSA-N 420.393 1.347 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)N[C@H](CS)C(=O)O)C1 2344169593 QKAHUPXCUNAKQU-GRYCIOLGSA-N 408.457 1.734 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365203705 KLPDKMXBPWQGHT-XTDOFWJNSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)CO2 2365239646 WZWAHKCTYJMKMM-SFHVURJKSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367793550 WKNJGBNKCHKJTG-CVEARBPZSA-N 400.541 1.558 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2375783447 BMPABHXSJHPKLL-UGSOOPFHSA-N 404.529 1.808 30 10 HDEE CO[C@@H]1COCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2379676519 GSFSBEJFMLGVJI-ZDUSSCGKSA-N 403.331 1.083 30 10 HDEE C/C(Cl)=C/Cn1c(N/N=C/c2ccc(O)cc2)nc2c1c(=O)n(C)c(=O)n2C 6292599 NEXNQSMFZPVZMJ-ZKRKXYIJSA-N 402.842 1.728 30 10 HDEE Cc1nn(C(N)=S)c(O)c1[C@@H](c1ccc(Br)cc1)[C@@H](C#N)C(N)=O 59461796 OBQAEDYPCPDDMO-PWSUYJOCSA-N 408.281 1.508 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c(C)n1 102741946 GFCKTMCLSDYAPA-HQMFNGAOSA-N 423.473 1.242 30 10 HDEE CC[C@H](/C(N)=N/O)N1CCN(Cc2ccc(I)cc2)CC1 115901398 LNKPAJBLXQRCPA-CQSZACIVSA-N 402.280 1.934 30 10 HDEE CC1(C)OB(c2ccsc2CNS(=O)(=O)NCC(F)(F)F)OC1(C)C 404922841 IPCMEIMZOULYDN-UHFFFAOYSA-N 400.253 1.534 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1C[C@H]1CCCO1 460926951 RGRFLRNHHLCPBH-DOTOQJQBSA-N 408.510 1.786 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNS(=O)(=O)c1c(F)cc(C#N)cc1F 467145449 AFLQFKQPZJYOKZ-HNNXBMFYSA-N 400.451 1.057 30 10 HDEE C[C@@H](Nc1ccc2c(c1)CCC(=O)N2CCCC#N)C(=O)N(C)CC(=O)NC1CC1 469059332 QJGZTOVQRZYRDG-OAHLLOKOSA-N 411.506 1.807 30 10 HDEE CO[C@@H](CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 470323111 FCTNKSWCZSKPOT-KGLIPLIRSA-N 412.368 1.847 30 10 HDEE COC(=O)[C@@H](NC(=O)COc1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 471530825 YVSNWCHGHQOYTJ-FQEVSTJZSA-N 414.414 1.993 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1 472017714 PWPDHBLKFKOKHC-XLIONFOSSA-N 407.518 1.832 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1C#N 489058987 GTSZLPCNOFKODV-IBGZPJMESA-N 404.467 1.753 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCS(=O)(=O)NCc1ccccc1 504092233 VKQKUEUCPUKZFQ-IBGZPJMESA-N 409.508 1.484 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)c3ccsc3)CC2)cc1 505593274 YFQLIWLKOMWJIQ-GOSISDBHSA-N 419.528 1.870 30 10 HDEE CN(C)C(=O)COc1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 510565796 TXZMCWBJRWMZBA-UHFFFAOYSA-N 408.462 1.774 30 10 HDEE CC1(C)C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 514107724 PMSGRMRKOLSJLX-MRXNPFEDSA-N 406.508 1.532 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(CCOC)C(=O)C1 517784785 VYSGOAKMKGJOKG-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 517815531 WVMSYGLSCDMMEL-INIZCTEOSA-N 422.470 1.285 30 10 HDEE CN1CCCC[C@@H]1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558354342 OAGRSFQUFLLIJQ-GOSISDBHSA-N 404.536 1.656 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 558981963 SYUFFJLBGIMUCW-QGZVFWFLSA-N 401.515 1.711 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2cc(OC)c(F)cc2C1 577920270 IYBTXXQCNYMAJF-LBPRGKRZSA-N 409.487 1.785 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 579688064 URWDXXYJVQFXJQ-CRAIPNDOSA-N 413.544 1.192 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)O[C@H](C)CC)nc1C 586300871 BOZJBFFFNZQHOG-SKVICXGVSA-N 402.494 1.823 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 588289013 HUNRZLQIWKDPQI-CQSZACIVSA-N 422.507 1.521 30 10 HDEE Cc1nsc(N2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)c1C#N 589287564 XJCBGGHPBUFOMZ-UHFFFAOYSA-N 421.530 1.947 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 604071734 XOPKOPKCNWBUSE-UHFFFAOYSA-N 415.457 1.298 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)CC1 604164649 LHAPTSKSWNGTQU-LJQANCHMSA-N 414.485 1.278 30 10 HDEE N#Cc1cc(N2C[C@@H](O)CC(F)(F)C2)cc(N2C[C@H](O)CC(F)(F)C2)c1[N+](=O)[O-] 615732320 XIGKXXNCQMZOSW-QWHCGFSZSA-N 418.347 1.879 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CC2 619711566 UGJWXUPZHGTUMP-UHFFFAOYSA-N 412.393 1.901 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 729333882 BABSCNTVKGPTKB-RBUKOAKNSA-N 402.516 1.117 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 732429221 FJXDMSXBXDOELX-MOYODAKZSA-N 413.478 1.948 30 10 HDEE Cc1ccc(C(=O)NC2CCN(C(=O)OC(C)C)CC2)cc1S(=O)(=O)NCC#N 732973921 BVSWURZMPGRIFI-UHFFFAOYSA-N 422.507 1.536 30 10 HDEE CC(C)CN(C(=O)CON=C(N)c1nccc2ccccc12)[C@H]1CCS(=O)(=O)C1 733192514 YBWSLIWVYHEITL-INIZCTEOSA-N 418.519 1.543 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](c2ccc(F)cc2)O1 741733565 WZHLBWDJRMCKFH-DYVFJYSZSA-N 417.462 1.853 30 10 HDEE C=CCN(CC(=O)OCC)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 742607393 OSRCXOAHZJDFMP-UHFFFAOYSA-N 403.527 1.608 30 10 HDEE C#CCCN1CCN(C(=O)c2n[nH]c3ccc(I)cc23)CC1 742607630 PQGCFNVWMSBSBV-UHFFFAOYSA-N 408.243 1.949 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@]12CCC(=O)N1CCS2 744572443 GTVMCVRARZGVNF-VBKZILBWSA-N 417.487 1.939 30 10 HDEE COc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)cc1C#N 746784548 GCXGLNOEIRGKMB-QGZVFWFLSA-N 413.522 1.795 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(C#N)c1 746953663 LCWCVQUPUWNBEB-BZNIZROVSA-N 409.851 1.378 30 10 HDEE CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3cc(C#N)cn3C)ccc21 751723446 AFGVYFDTQUDJNT-UHFFFAOYSA-N 401.444 1.649 30 10 HDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757321207 QWKJUMWNAJWSAK-UXHICEINSA-N 422.437 1.479 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN([C@@H](CC)CO)CC3)ccc2c1=O 759634400 WPPMCFNHINFZPG-HNNXBMFYSA-N 402.520 1.400 30 10 HDEE C[C@H]1NC(C(=O)Nc2cnn(-c3ncccc3C#N)c2)=NN(c2ccccc2)C1=O 764430136 BPYCODKELBKMJW-CYBMUJFWSA-N 400.402 1.416 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 772460025 YLDDLPSWVBQSCU-HNNXBMFYSA-N 415.519 1.566 30 10 HDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nnn1Cc1ccc(F)cc1 774030293 QNMHQSMKQINPFP-UHFFFAOYSA-N 413.434 1.905 30 10 HDEE C#CCN(C(=O)NCCCOc1cc(OC)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 774244621 LDBMXPTUGVVPNX-HNNXBMFYSA-N 410.492 1.305 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780204343 HAELRHHAUQGPHN-FQEVSTJZSA-N 411.414 1.241 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCCN1C(=O)OC(C)(C)C 790741284 GAOVZLXFSMRDGI-OAQYLSRUSA-N 417.510 1.941 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2)C(=O)C1 793860295 CULXDOHJHBZCMY-QGZVFWFLSA-N 413.478 1.637 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 800970657 CGPFODOWQGTYTO-AWEZNQCLSA-N 403.435 1.656 30 10 HDEE N#Cc1cnn(C(=O)[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]32)c1N 810202946 BEMIIAKFSJQOPQ-JCTPFYOHSA-N 413.437 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 812273821 KVDCTPRZIWMGED-WBVHZDCISA-N 417.535 1.832 30 10 HDEE Cc1ncc(S(=O)(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1C#N 813671609 QFQDOVRGLIDOJR-CQSZACIVSA-N 403.386 1.114 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 816014451 AFNDWTLPUYJHHM-UHFFFAOYSA-N 420.350 1.334 30 10 HDEE Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H]4CCN(O)C4=O)c(=O)c23)cc1 816693962 WFRBGDNWSUWHMF-HNNXBMFYSA-N 412.471 1.930 30 10 HDEE COC(=O)c1ccc(O)c(N/C(=N/Cc2cccs2)N2CCN(CCO)CC2)c1 1088664955 OCLNUQNDRKORGP-UHFFFAOYSA-N 418.519 1.818 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C2CC2)[C@@H](C)C#N)c([N+](=O)[O-])c1 1130875607 UYFCRFAGFNVQRG-ZDUSSCGKSA-N 424.479 1.907 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 1137131339 ZWHNNAYKYPNKMW-HJWRWDBZSA-N 408.520 1.633 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCSc1ccccn1 1140384096 KGKOXOHDVHURLW-AWEZNQCLSA-N 404.517 1.919 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1c1ccc(O)cc1 1141336603 QEEYBKHGLSNNTD-BSMWSGRKSA-N 413.430 1.024 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)C1 1153859135 MSKBIHBMXWPGRN-MNVSYLFESA-N 409.483 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3sccc3CC#N)CC2=O)C1 1158433433 NJPBHGODDZQPIO-CYBMUJFWSA-N 404.492 1.764 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2C2CCOCC2)s1 1158733092 VLSJHCCORZWXOJ-UHFFFAOYSA-N 410.521 1.942 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1-c1ccccc1 1166713415 FARUPTLSDKBFGW-UHFFFAOYSA-N 406.442 1.473 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)C[C@@H]3CCCO3)C2)C1 1177981819 QBIJKUSCSFLFES-WFMQRQJPSA-N 407.511 1.819 30 10 HDEE COCC(=O)NC1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197301224 CPAGOWRRSDXKNT-UHFFFAOYSA-N 416.297 1.236 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)C1 1213680812 YZMGSFVRYNQNFL-CQSZACIVSA-N 415.309 1.612 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)CC1 1248485436 IUCRQWSPAAVIIG-MOPGFXCFSA-N 404.536 1.508 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1255898231 NRLKMEGKBGUINA-CABCVRRESA-N 404.540 1.537 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 1272006613 HTYJBCPVMNCCOZ-WBAXXEDZSA-N 404.463 1.914 30 10 HDEE COC(=O)[C@](C)(CCF)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1279258983 XZDQUJUPZVMXNH-LIRRHRJNSA-N 404.398 1.171 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCCC1=O 1286358383 FKHLYAJBRSFMNZ-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCOC1 1286434435 KLPRNNFZCVOOQT-JOCHJYFZSA-N 410.474 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@]1(N(C)C)CCSC1 1286459370 NTQSIGCYEHYNES-HXUWFJFHSA-N 400.552 1.863 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)SC)CC1 1286470144 TZXAODLKJXJBNW-UHFFFAOYSA-N 413.551 1.822 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCCCN2CCN(CC)CC2)CC1 1286478952 MGOCTINCMQBRIQ-UHFFFAOYSA-N 415.630 1.650 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286500372 WLFBJNLIFRDKFB-ROUUACIJSA-N 406.515 1.898 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1286581324 IJKWWASDCIIFKI-INIZCTEOSA-N 406.556 1.981 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCOC2(CCOCC2)C1 1286789080 AJRCMBIVWGPHOT-UHFFFAOYSA-N 417.535 1.618 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1288480529 ORRRCBLLLOJDDE-UAPYVXQJSA-N 404.532 1.948 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1298925052 UTVHVEGRLVVSHF-UHFFFAOYSA-N 401.435 1.364 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)CC1 1299464016 JZDWQBYNTOCGMJ-JBINPLMMSA-N 400.519 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(CC)S(C)(=O)=O 1300293860 SYTVGCTXHAOMDO-INIZCTEOSA-N 414.535 1.946 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300502031 POJLRTQZHFGFLJ-CMKODMSKSA-N 420.579 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1 1300545937 YCXLEAUWGAYTOE-HXUWFJFHSA-N 421.545 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCCc1cnn(C)n1 1300548959 VFKUYZUXLDSXLB-UHFFFAOYSA-N 403.490 2.000 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)COC)CC1 1300697524 DORISFHXEFGZQG-MRXNPFEDSA-N 421.505 1.632 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1300708621 WVBRHMHBHAKUCZ-UHFFFAOYSA-N 421.505 1.009 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC)CC1 1301114375 QWMCQZFMLQPTTQ-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1301289743 NVPIVGVXONVTIL-MRXNPFEDSA-N 421.505 1.729 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn2ccsc2n1 1301422328 HELCTMPDDFUBKE-AWEZNQCLSA-N 401.496 1.626 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1301492172 ZMKLRETVDXFGOL-NRFANRHFSA-N 412.494 1.417 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1301553502 MYXLQOULWMFCIE-HOTGVXAUSA-N 405.524 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2ncccn2)CC1 1301569214 SVYXUQHRKPTDMP-MRXNPFEDSA-N 419.555 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1 1301576622 XEZMKUAHNONAAQ-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ccc(C)n(C)c1=O 1301810213 XKPMJHGQUODWGN-QGZVFWFLSA-N 400.483 1.552 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1302335251 RQGUIBOLPPCMBD-BRSBDYLESA-N 419.526 1.731 30 10 HDEE Cc1c(C#N)c(=O)n(CCC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n1CCO 1307388577 GPVOPQIGSAYKEJ-UHFFFAOYSA-N 406.483 1.220 30 10 HDEE COc1cc(CNC(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C)ccc1C#N 1312650582 HXEWVUJGTWHIHU-MRXNPFEDSA-N 406.483 1.936 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CC=CCC1 1314740833 CMJDXCHJBUQWHA-IBGZPJMESA-N 405.506 1.999 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2)NC(=O)NC1=O 1318130667 LOXIVAJZAPDDMZ-GOSISDBHSA-N 418.862 1.745 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1nnc2ccc(C(F)(F)F)cn12 1318452869 BXBDNUHGWJYNLY-PFONDFGASA-N 423.355 1.074 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CC1 1350024127 URIGFESNDDSROX-ROUUACIJSA-N 401.511 1.539 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358977953 AOVSYJBAIGUNLD-GOSISDBHSA-N 409.465 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(CC)s1 1359018341 MKYJEWCYIBHBRL-UHFFFAOYSA-N 403.512 1.062 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCO2 1359023485 MAUYVXVRVNHBBA-INIZCTEOSA-N 411.462 1.135 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359121446 PNBVAFHWEZKIJE-LSDHHAIUSA-N 400.487 1.628 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359228437 CVDUVHFBHNNDQA-IRXDYDNUSA-N 416.482 1.847 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C)C1CC1 1359251720 SUVBQZUQEXBVRB-OAHLLOKOSA-N 404.540 1.734 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359291269 KNFXKQVPJAQMIY-FHWLQOOXSA-N 416.526 1.907 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359297833 DESVLZROQHSFAM-QGZVFWFLSA-N 406.494 1.890 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cccc(C)c2)CC1 1359298392 YATIXRKFUSYCLZ-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cnn(C)c1 1359302509 JPBKTTJLLINMNV-UHFFFAOYSA-N 409.494 1.550 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1359474930 YYSXWEUSCPNKCC-BRWVUGGUSA-N 422.555 1.563 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCOC1 1360677861 HPMHUPDCNYSZTE-ZBFHGGJFSA-N 410.544 1.445 30 10 HDEE C#Cc1ccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)cc1 1439960044 ADZATSAOSKLTOH-FOIQADDNSA-N 404.488 1.888 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 1448234484 FUQXHTSNRWVBFQ-SFHVURJKSA-N 404.532 1.668 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(C)(C)CO 1452451854 XBFPFHBGUJJGPQ-MRXNPFEDSA-N 419.507 1.102 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(Cc4nn[nH]n4)CC3)CC2=O)cc1Cl 1455354530 JWFXDOWPVRRMIF-AWEZNQCLSA-N 413.869 1.559 30 10 HDEE CCOC(=O)CN(C)C(=O)Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2 1459178381 DPXBFILVGTZVNP-UHFFFAOYSA-N 422.485 1.300 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1460332378 PBGIJTORACMYFE-SFHVURJKSA-N 420.395 1.683 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)Nc1ccc(Br)c(C#N)c1C 1461055890 GJPDXAWFMVEVCA-HNNXBMFYSA-N 407.268 1.695 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC(=O)N(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1463716277 KASUPUAVNTUZEL-UHFFFAOYSA-N 415.343 1.140 30 10 HDEE Cc1cccc(-c2nnc3n2C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC3)c1 1464923408 JBKQQLJIWMGTTG-BWORXHKJSA-N 420.473 1.459 30 10 HDEE COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1465872764 XSEPXCRSEXCEIY-KGLIPLIRSA-N 414.462 1.496 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ncc(Br)cc1O 1466063564 BSLYELJTJIKIPK-SNVBAGLBSA-N 403.240 1.562 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2cc(F)c(F)c(F)c21)c1cc[nH]n1 1468096254 ITFKPZWRBPRIDF-NSHDSACASA-N 410.352 1.915 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CS(=O)(=O)CC)cc1)c1cc[nH]n1 1469074725 VUAKFAXJHIKODS-UHFFFAOYSA-N 422.463 1.267 30 10 HDEE C#C[C@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCCO1 1469867018 AUKHBBUYMNIYAY-JKSUJKDBSA-N 404.471 1.050 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 1471833241 SWCOWYJKYBWISD-SFHVURJKSA-N 413.478 1.091 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2Cc2ccc(C#N)cc2[N+](=O)[O-])C1 1473769430 NBXBQDMIOINARV-UHFFFAOYSA-N 401.423 1.388 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)C1=O 1476921105 XYXNMFAPPQTCFP-OFJJUDJNSA-N 421.523 1.652 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC(C)(C)C(=O)N2CCCC2)[C@H](C#N)C1 1478404367 RHOFQEMFCXFSNE-HUUCEWRRSA-N 407.515 1.693 30 10 HDEE COc1ccc(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1O 1478566939 BMDXJSUXDYDVPE-SFHVURJKSA-N 408.458 1.915 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C 1479205739 PZIJGMCYZCGMKA-KRWDZBQOSA-N 402.495 1.950 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1=O 1503675612 RYVLHDMKRMNXPB-VLIAUNLRSA-N 414.441 1.203 30 10 HDEE COC[C@H](C)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1504575963 AMNGUFZRBHGPEX-HZPDHXFCSA-N 401.467 1.877 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1504612553 YQTXBDXVMBMTHQ-IAGOWNOFSA-N 415.473 1.707 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CCO1 1505322012 HAJXYXYMCGGQCX-HIFRSBDPSA-N 404.858 1.638 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507536957 HPDQIFDPKKLBJR-NVXWUHKLSA-N 402.524 1.003 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507590626 DBDHPFOMPZOKAY-KKSFZXQISA-N 414.510 1.748 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(N(C)C)nc1 1507642466 VGUOIKOSCHTERY-HSZRJFAPSA-N 422.533 1.901 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@]1(O)CCc2ccccc21 1507642481 KAVKTXQIJSCQDF-FDDCHVKYSA-N 408.502 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCn1ccnn1 1507704536 GBKDKBYFLPMCKW-UHFFFAOYSA-N 400.874 1.761 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1507817584 RKFKGWCNISZNSE-UHFFFAOYSA-N 424.527 1.300 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1507849023 RKNQIBCHKKZZQT-GOSISDBHSA-N 401.515 1.782 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1508122008 BUJWBYFYIQZVKQ-KBPBESRZSA-N 420.482 1.591 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOC(C)(C)C 1510192131 OYYCVQSRCMNPJQ-LRDDRELGSA-N 402.496 1.145 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1513056855 BTHHPRIVDJZYCK-MJGOQNOKSA-N 403.575 1.794 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1516963678 AUZDXVWDNKHABA-UHFFFAOYSA-N 412.494 1.822 30 10 HDEE CO[C@H](C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517781496 SRZRCNBPPZXIRU-OAHLLOKOSA-N 422.493 1.710 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1=O 1517846838 VAGDGQPRGFTFTL-UHFFFAOYSA-N 402.252 1.377 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@H]2C[C@@H]2C)CC1 1519243727 IKOQCDIVZJNAGF-LPHOPBHVSA-N 423.521 1.282 30 10 HDEE COC(=O)[C@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccnc1 1527326351 DMSIIIITBFZTPX-QGZVFWFLSA-N 401.444 1.803 30 10 HDEE C=CCC1(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CCOCC1 1527985607 QLWUPADZHRPYGO-UHFFFAOYSA-N 410.272 1.134 30 10 HDEE Cn1c(=O)c2cc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)n(C)c2n(C)c1=O 1535927999 BRLISTZQKOKNFB-AWEZNQCLSA-N 419.363 1.481 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1538977404 VVVOUOSISZRPTP-MLGOLLRUSA-N 403.405 1.067 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539116730 QVOKXZXWBKYEKN-FQEVSTJZSA-N 421.549 1.805 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539219023 BCQNCQVKZLMTJH-XMTFNYHQSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539224859 JDQHJKDHAYJOLR-IRXDYDNUSA-N 408.568 1.918 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)c2ccc(C)cc2)CC1 1539461985 AHAJKRSLZJRFAD-UHFFFAOYSA-N 410.522 1.308 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1539557451 ULILTKUAYNPZCG-FOIQADDNSA-N 421.567 1.335 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCn1cccn1 1539613144 VYAVGAZTZYQWHB-MSOLQXFVSA-N 413.526 1.828 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)cc1 1540674277 LZVQRPHXUZFVND-UHFFFAOYSA-N 403.483 1.742 30 10 HDEE COc1ccc([C@H](CNC(=O)[C@@]2(C#N)CCCOC2)N2CCOCC2)cc1OC 1540676965 RGXUVPIYWZTKMG-LAUBAEHRSA-N 403.479 1.514 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCC2)CCO1 1541074139 HRBVRXPESJTWMF-LJQANCHMSA-N 424.505 1.463 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C2/SCC(=O)N2C)c1 1543097291 WNVVXLZERWFUNC-WWDVWQGPSA-N 408.505 1.485 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)N1CCOCC1 1546490053 IODOGVQSQKOVGR-UHFFFAOYSA-N 411.510 1.486 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1548275490 BYWHXUISBUMWSY-INIZCTEOSA-N 412.450 1.406 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1555682167 DEDBVPRRACSOOF-IRXDYDNUSA-N 407.515 1.590 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1556824257 ZPOXVQLPEHHOQQ-QRBZPYHOSA-N 406.442 1.814 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCn2nnc3ccccc3c2=O)C1 1557239961 HRGKDKDZVZDTFF-GOSISDBHSA-N 402.458 1.791 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2N(C)C(=O)CO3)s1 1558094674 VRASEDWUPFWOFB-UHFFFAOYSA-N 421.500 1.749 30 10 HDEE CS(=O)(=O)CC1(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)CCC1 1561657229 HNZHBZGGNSIUHM-UHFFFAOYSA-N 421.338 1.814 30 10 HDEE C#C[C@H](NC(=O)NCCc1nnc2c(=O)n(C)ccn12)c1ccc(Cl)cc1F 1565003525 VVHXCBYJBIBBRZ-AWEZNQCLSA-N 402.817 1.437 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCC(=O)OC)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1566978777 PTSSFSWCQDFKFE-VGOFRKELSA-N 421.538 1.875 30 10 HDEE C#CCN(c1nnc(C)n1CC[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588035911 ZKIOVMGQVHRJER-UYAOXDASSA-N 402.520 1.511 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCOCC1 1588155665 TYXNEBGKNOUVMW-KRWDZBQOSA-N 412.563 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C(C)C 1588200373 NEGAVWTWDHZOIC-JOCHJYFZSA-N 418.505 1.791 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCS(C)(=O)=O 1588254055 ONJACXQMDIZLHD-UHFFFAOYSA-N 418.494 1.894 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1588387441 TVBXQGJMLUDEJU-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588412214 AZOFDWLJFPHTNJ-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NCCC)CC1 1588871777 PUKRWLDBKOGFIJ-UHFFFAOYSA-N 410.522 1.447 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2OCCC2(C)C)CC1 1588923755 LGEGFZOJDQAUOO-SFHVURJKSA-N 423.521 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2c(C)coc2C)CC1 1588924119 VLFMCLQXSWRDPM-SFHVURJKSA-N 424.505 1.453 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1595442649 WWPYAMDGAIVHEW-UHFFFAOYSA-N 409.487 1.654 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1595838664 XHERLDMQLNZVGV-LHHMISFZSA-N 424.567 1.838 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1595884809 UEXHOQDTYYRXQD-HZPDHXFCSA-N 413.613 1.630 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1ccc(O)nc1=O 1603548143 HQJKFQTTWXVSAB-GFCCVEGCSA-N 400.863 1.491 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1611307577 DAOXBSJVJSAGBM-IUODEOHRSA-N 420.420 1.910 30 10 HDEE CSC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1611534390 VHFSQSSECSWJNA-YESZJQIVSA-N 420.531 1.758 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1612247923 FSCVYPOATBGJRF-GOSISDBHSA-N 410.478 1.421 30 10 HDEE CCc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)NC 1613996983 QDSRGXFFLURCTJ-SFHVURJKSA-N 416.551 1.720 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1616345832 CAVSKHIAXLYEHP-KPQZKFHNSA-N 406.483 1.713 30 10 HDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1617319369 BGZDGECFMOKRHD-UHFFFAOYSA-N 420.495 1.180 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1619484970 HOXDBKNLWWPLEH-NNFUDEMPSA-N 424.571 1.833 30 10 HDEE COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1619904608 HVFOESMDYAVKNR-VWNXMTODSA-N 424.545 1.715 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)C1 1620347915 GSNKRMIGHYCPRA-UGSOOPFHSA-N 420.470 1.127 30 10 HDEE CO[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCOC1 1624381572 WHLIYSWVGDMYMW-UGSOOPFHSA-N 401.442 1.566 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1626328789 RRWAQXNVAAHZMS-ISLYRVAYSA-N 420.491 1.618 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCO[C@H](C#N)C3)nn2)CC1 1626971187 GCHGOKRPULAZPF-LSDHHAIUSA-N 404.471 1.605 30 10 HDEE N#C[C@]12CN(C(=O)CCn3c(=O)oc4cc(Cl)ccc43)C[C@H]1CS(=O)(=O)C2 1627136194 AWZPQQHVIMFSTJ-APPDUMDISA-N 409.851 1.035 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2c(Br)cnn2C)cc1 1631968915 YNGCIJYFVIXPIF-UHFFFAOYSA-N 413.297 1.577 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](SC)[C@@H](N(C)C)C2)s1 1633120890 GUMWRPZDPSZQSP-KBPBESRZSA-N 403.595 1.259 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(F)(F)F)O[C@H](C)C1 1633739291 RLAHBSCIFNRUIW-TYNCELHUSA-N 419.425 1.793 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1634187732 FJWICXWOGAKMGF-LIEJCIORSA-N 410.474 1.941 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1636839004 QDXGPCZGEGKBDR-GOSISDBHSA-N 400.456 1.804 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 1637953632 RMWYVPSBQHVIAN-HNNXBMFYSA-N 406.280 1.872 30 10 HDEE N#Cc1cc(CNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccn1 1639866263 XWDCFQORJNRPRS-UHFFFAOYSA-N 403.420 1.494 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1 1640325478 AHXCIGVULDFVOG-UHFFFAOYSA-N 414.516 1.343 30 10 HDEE C=C[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 1641133392 XZONTFLXYUKJKQ-SOUVJXGZSA-N 402.520 1.999 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1N)OCC 1642606074 DJHJBIZXPSEUNQ-OAQYLSRUSA-N 412.494 1.957 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N4CCN(C)CC4)CC3)n[nH]2)c1C 1643819298 PLLQFMDJEPMFRX-UHFFFAOYSA-N 411.554 1.928 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1644425581 COIDJGYEPPGPEA-INIZCTEOSA-N 401.434 1.970 30 10 HDEE COC(=O)[C@H]1CN(C(=O)[C@]2(C#N)CCCOC2)CC12CN(C(=O)OC(C)(C)C)C2 1647764337 MPUQNOVJZRYNQC-KUHUBIRLSA-N 407.467 1.175 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)c1 1648507577 AJCKOFKILLUZQW-WOJBJXKFSA-N 424.519 1.583 30 10 HDEE COC(=O)CC1CC(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1649384444 ZIOZJPOMFYETPK-UHFFFAOYSA-N 421.519 1.743 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1655293930 YTXCWZWBQHAMNK-YRNRMSPPSA-N 420.535 1.109 30 10 HDEE Cn1c(N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(C#N)c(=O)n(C)c1=O 1655878986 QLUBAXMPAFWZRP-UHFFFAOYSA-N 423.473 1.337 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ncc(C#N)cn1)C2=O 1656312197 DJNZBSKWYIMNEH-VBKZILBWSA-N 414.466 1.854 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CC1 1657038353 GFCPVWWBDRXBCE-UHFFFAOYSA-N 406.501 1.679 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)cc1 1658659436 ZENUHVNKDRUSIR-IAGOWNOFSA-N 407.492 1.434 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)nn1 1663555417 KJIPIHGXRHXLSD-UHFFFAOYSA-N 412.475 1.980 30 10 HDEE Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1663714756 CJQGJOXRQVGCKS-UHFFFAOYSA-N 416.551 1.444 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)C1 1666153875 ABXCHWNEXPMTQT-FXAWDEMLSA-N 411.506 1.924 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CN3CCOCC3)n2)n1 1673558530 CQDOLSOEIPKPFK-UHFFFAOYSA-N 412.494 1.424 30 10 HDEE CSc1ccc(CNC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)cc1C#N 1676035716 VOYVHFHISOYEHG-HXUWFJFHSA-N 404.536 1.695 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3ccccc3OC(F)F)C2)c(=O)nc1O 1680213942 OPEUAVUITHOZTO-UHFFFAOYSA-N 405.361 1.231 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1686055561 KURRUDNSYLMBDZ-ZNMIVQPWSA-N 408.503 1.143 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1689863675 YXFPUONMQCYCJC-HNNXBMFYSA-N 415.457 1.729 30 10 HDEE C#CCN(c1nnc(C)n1CCc1cc(C)ccc1OC)[C@H]1CCS(=O)(=O)C1 1689981728 ACTNZAWPEPKMNG-SFHVURJKSA-N 402.520 1.773 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCN(CC)C2)CC1 1690111544 DNTAGLQRJLVMCH-RTBURBONSA-N 404.559 1.099 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O)C1CC1 1690545176 KZXQACAVCSLNBI-INIZCTEOSA-N 421.567 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cnn(C)c1 1690722554 NMWZXZPJTRZCOY-UHFFFAOYSA-N 403.512 1.254 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1692539366 LGSXDYDMHXIPNI-LSDHHAIUSA-N 423.468 1.017 30 10 HDEE COC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1697081947 SZBBLXCBNRJMEE-UHFFFAOYSA-N 407.434 1.665 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1697988569 QBMNZIZRNBVXGY-IBGZPJMESA-N 409.494 1.514 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1COCCO1 1698129855 PAGBSCURWQPNBO-DLBZAZTESA-N 407.515 1.938 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1705538934 DWZNBAPXRCWUQZ-VQTJNVASSA-N 403.483 1.375 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nc2ccccc2[nH]1 1705551162 IDDJJLQAGVUXJT-OAHLLOKOSA-N 412.519 1.759 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCSC)CC1 1705636266 DEUUUEITQNWOIP-UHFFFAOYSA-N 423.550 1.429 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccsc2)CC1 1705641187 WDCXKNWBZYGDSI-QFIPXVFZSA-N 422.558 1.988 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705660181 OXWCIUPDVIVJPI-SJORKVTESA-N 422.576 1.165 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705708194 ZHAKTKJVALXYQB-MDKPJZGXSA-N 419.526 1.236 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CCOC)C(=O)C1 1705749743 GTKVYHJABXEZFO-UHFFFAOYSA-N 420.857 1.901 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705751253 FIELGNKKLMULMA-MRXNPFEDSA-N 404.902 1.864 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705897002 DJALQYMUEIRQCJ-MRXNPFEDSA-N 411.510 1.451 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(C#N)CC1 1705908414 PCJWCFRUZVFGCJ-UHFFFAOYSA-N 410.478 1.908 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCNS(C)(=O)=O)C1 1705918801 QLOGATFEWYFTSB-HNNXBMFYSA-N 421.523 1.284 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(C(C)(C)C)CC1 1705931970 GYLSEEUKXQNXRZ-UHFFFAOYSA-N 420.583 1.805 30 10 HDEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1711131631 CWGYQFHLCOJBQT-UHFFFAOYSA-N 421.498 1.958 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722323589 VJLKWUQEMWEHLB-HZPDHXFCSA-N 400.483 1.406 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368089 PEUOGNYCPPYJNV-QGZVFWFLSA-N 421.567 1.335 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722537231 VSNSNWPTXKXWRN-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)nc2OC)C1 1722712751 YXIGTXKAFPZNAP-INIZCTEOSA-N 423.477 1.977 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1=CCCOC1 1722865959 MLBQODPEGMYYRZ-HNNXBMFYSA-N 405.466 1.863 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1723541643 CVKCQBUMONFRSI-KRWDZBQOSA-N 415.542 1.204 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1723773961 JJVOYPZMPPJYNI-HMWBCQRISA-N 406.450 1.605 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCc3c(C)noc3C)CC2)c1C#N 1725860470 BHXPFXZDZHRIRP-UHFFFAOYSA-N 409.498 1.674 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1726672651 MPCBIGOKMAMIIX-HOTGVXAUSA-N 410.478 1.289 30 10 HDEE CCCNC(=O)CCn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728193384 AHTPVNVDZCYARZ-UHFFFAOYSA-N 413.482 1.266 30 10 HDEE CCn1nc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CC2)c2ccccc2c1=O 1728640465 QZOKSSPFGSUUJZ-CQSZACIVSA-N 407.478 1.796 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1729163601 XORDUDCFQKQWEC-OAQYLSRUSA-N 410.478 1.624 30 10 HDEE COCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)cn1 1730772525 OGGIBBNVLXXZAN-LPHOPBHVSA-N 403.462 1.505 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCc1cn[nH]c1 1730871104 TWYUJXTVPCAFSK-CRAIPNDOSA-N 414.514 1.144 30 10 HDEE C#CCC1(C(=O)NCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCOCC1 1737076028 BYJQGCYEMZKYBJ-RMMWZPCPSA-N 400.519 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1740553062 QQYBVRZCGJQJON-OKZBNKHCSA-N 407.584 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1740563969 YFUZZTLEJNTCKC-MUGJNUQGSA-N 419.570 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740608611 BYASJCILLURFAC-SQGPQFPESA-N 407.584 1.760 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1740612796 IUWCRSZDPKJVFW-UHFFFAOYSA-N 408.487 1.486 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740628822 UUPKAQSCMQAVRL-YESZJQIVSA-N 406.508 1.449 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1740665758 OVVRPTOZXAEAJY-QVKFZJNVSA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1740683203 YAILLDFXRNMODV-UHFFFAOYSA-N 408.506 1.625 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1740869039 ZFAONYRFYZDBQU-SJORKVTESA-N 410.588 1.919 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740876290 QEKWADUJWNLPHU-HUUCEWRRSA-N 422.511 1.416 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1743880592 AFMURDJJNODING-HRAATJIYSA-N 415.542 1.949 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1747366492 QGLRARRPYIYBJM-OAQYLSRUSA-N 410.478 1.482 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)C1CCC1 1748690789 XWKVXIMPFGWKDO-NJAFHUGGSA-N 403.527 1.766 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1748812166 RGEPNVRIGMVUAP-KRWDZBQOSA-N 402.524 1.496 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748846568 JBDGDRCPCBZXNI-ICSRJNTNSA-N 420.517 1.523 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748847110 OWUGTVKQHLQLBT-RXVVDRJESA-N 415.563 1.063 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1C 1749073344 MEMROVSZXMKRJF-LJQANCHMSA-N 410.507 1.439 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N(C)[C@H](C)CC#N 1749736699 NLFXVAXAECJJGA-CYBMUJFWSA-N 408.553 1.973 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCCS2(=O)=O)C1 1750378218 FBLLMSLVXGGUGB-VQIMIIECSA-N 418.498 1.673 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1751941350 QCJODACEICUOPG-QRQLOZEOSA-N 414.535 1.612 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCN2CCCC2)c1 1760129193 ZQIRCXRIAVNCOG-IBGZPJMESA-N 422.533 1.934 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(C#N)o1 1760170425 BZZFDVVATGURPU-UHFFFAOYSA-N 409.475 1.821 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1760186286 LSZOPXOROPDOGJ-QBPKDAKJSA-N 410.515 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cnnn1 1760193836 SKDLQIFALXHNJZ-UHFFFAOYSA-N 417.477 1.297 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1760255245 WNAICOZPERCLGV-KKSFZXQISA-N 415.925 1.894 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC(S(=O)(=O)CC)CC1 1760285575 KMTNWTVHEFIKHM-UHFFFAOYSA-N 400.570 1.585 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1760292745 HQRALJBSKQIQPD-HSZRJFAPSA-N 421.549 1.805 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1760293797 FKFMRKZXHMAFGY-SPYBWZPUSA-N 405.524 1.046 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1760353285 MPAPYRWLLDSMGN-UHFFFAOYSA-N 401.467 1.839 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 1760528203 VPSFPOIDDZOSQH-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CC=CCC1 1764186999 AVALGVLZMVVNMM-KRWDZBQOSA-N 401.515 1.187 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765182290 VZGGUAQONQDGOZ-RMYFCYLKSA-N 408.466 1.498 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1767270463 KJRJCBYLWFMYEK-UHFFFAOYSA-N 412.466 1.847 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCOC2(CCOCC2)C1 1772567127 JRSVEGZEGVTHPX-MRXNPFEDSA-N 405.499 1.208 30 10 HDEE N#CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1 1850007027 QWIJFMBYUFZXDQ-LBPRGKRZSA-N 420.413 1.636 30 10 HDEE Cc1nccn1-c1cc(N2CCN(CC(=O)Nc3ccc(CC#N)cc3)CC2)ncn1 1851445657 MLRMWWRYFDTHMX-UHFFFAOYSA-N 416.489 1.798 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)CC1=O 1853868262 DKSCPTXIJSXYQA-UHFFFAOYSA-N 407.426 1.743 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(C(C)(C)C)noc2C)C1=O 1854218963 KUTLTDAXLCISBQ-HUUCEWRRSA-N 402.495 1.740 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)C1 1854287578 YJZAANJONMBBJV-OCCSQVGLSA-N 414.359 1.824 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(OC4CCCC4)nc3)C(=O)C2)C1 1855003409 QAJKQOWAILMGAX-GOSISDBHSA-N 411.506 1.675 30 10 HDEE C[C@@H]1CCN(C)c2ccc(C(=O)N3CCN([C@H]4CCN(CCC#N)C4)CC3=O)cc21 1855009619 IPHKCZOHAPREMQ-MJGOQNOKSA-N 409.534 1.902 30 10 HDEE COCc1cc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)n(C)c1 1855175966 CTESLCJGCJZIDC-OAHLLOKOSA-N 405.432 1.205 30 10 HDEE Cn1ccnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855749615 VOEDWSTUPWEXPJ-MRXNPFEDSA-N 406.490 1.945 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2)CC1 1855905922 JTBZODDLDDBPBI-IAGOWNOFSA-N 412.465 1.789 30 10 HDEE CC(C)c1noc(C2CN(C[C@@H]3CCC(=O)N(C(=O)c4ccnc(C#N)c4)C3)C2)n1 1856663999 BDSFJZBFDQMGRF-AWEZNQCLSA-N 408.462 1.938 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CSc2ccncc2)C1=O)[C@@H]1CCN(C)C1=O 1856749299 ZDVOHPPVZKHABG-DLBZAZTESA-N 402.520 1.410 30 10 HDEE CC(=O)CCCN1CC[C@@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)C1 1856838887 VALAVAFRCQHKDO-OAQYLSRUSA-N 410.518 1.605 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1856998526 FJSGTEPTYLEFAX-KBPBESRZSA-N 401.492 1.489 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2snnc2CC)C1)[C@H]1CCN(C)C1=O 1857068652 PVECJAAAPMUYJU-HIFRSBDPSA-N 405.524 1.198 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@@H]1CCN(C)C1=O 1857284384 NTGFQDQROFBMIE-SJLPKXTDSA-N 401.511 1.480 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)C1 1857374704 CDKJTRMFLFAAPI-GOSISDBHSA-N 412.490 1.986 30 10 HDEE C[C@@](C#N)(NC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1858042593 UADDXNJGBMDUFL-INIZCTEOSA-N 414.325 1.976 30 10 HDEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(CCC)c1 1861241076 JVICVNCFQFERRH-QGZVFWFLSA-N 406.527 1.709 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCOCC2)=C(N)Oc2c1c(C)nn2C 1865227140 CFWDCVAFTIBAPE-GOSISDBHSA-N 410.474 1.847 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CSc1nnnn1C 1870283255 QPVDMCAUVSUAQY-UHFFFAOYSA-N 419.492 1.324 30 10 HDEE CCCCCCCOc1cn(CCN2CCOCC2)c(CN2CC(O)C2)cc1=O 1870411027 QBEAADDXHPCXHU-UHFFFAOYSA-N 407.555 1.706 30 10 HDEE C=CCn1cc(OCc2cnnn2Cc2ccccc2)c(=O)cc1CN(C)CCO 1870441962 GCDUETHALFIHEO-UHFFFAOYSA-N 409.490 1.677 30 10 HDEE C#CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870560689 HDLVBJMDFAZXIM-GOSISDBHSA-N 403.479 1.313 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC(C)CC2)n1 1871506978 FFUVDUFHXPVMGG-UHFFFAOYSA-N 403.512 1.519 30 10 HDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3C[C@@H](C)C[C@H](C)C3)ncnc21 1873594916 HOTGXTINXDKTOF-HOTGVXAUSA-N 401.511 1.838 30 10 HDEE CCc1nnc(SCC(=O)OC)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874526573 VLJUJMUSMIAROU-CAOOACKPSA-N 407.408 1.667 30 10 HDEE COCC[C@](C)(O)CNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1889419994 AIZKBAUEZMVVPF-SBHAEUEKSA-N 419.547 1.855 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)c1 1890587080 JGIZZRYBRITGJY-UHFFFAOYSA-N 406.421 1.992 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@H](c2ccsc2)N2CCOCC2)cs1 1891531629 BKIOVWPSJVZYKW-OAHLLOKOSA-N 406.533 1.924 30 10 HDEE CCN[C@@H](CC#CCOC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197747238 CUKLYMRRQONECQ-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC(O)C1 2244548148 LARZBIKNFMSZAZ-UHFFFAOYSA-N 408.304 1.546 30 10 HDEE Cc1c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247774219 UWUPFMFCCBLXTF-OLZOCXBDSA-N 420.319 1.423 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247830131 YCPWOBDOCDDCCP-UHFFFAOYSA-N 422.335 1.990 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247860739 AITDCJNYHXBPEC-UONOGXRCSA-N 422.287 1.601 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](CO)CNC(=O)OC(C)(C)C 2247916127 QLDYXWQADZSRFL-ZDUSSCGKSA-N 424.303 1.503 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247930417 SBRSOBHSSWBNSQ-UONOGXRCSA-N 418.303 1.561 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CO1 2248057134 UDIZKQKNXWHGBR-LBPRGKRZSA-N 420.275 1.057 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2248404411 JVLZDENPWGZIJY-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2255816661 JGBRGELXORBCKF-VQIMIIECSA-N 424.354 1.970 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCC2(CC1)OCCO2 2282020669 BGHGEBKVARQSFY-UHFFFAOYSA-N 405.304 1.618 30 10 HDEE CCO[C@@H]1C[C@@H](N)[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282057261 DWHMXGQZSOENIT-NQBHXWOUSA-N 400.737 1.935 30 10 HDEE C[C@H](CO)CC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333987 VXHNOIDIMDUFOH-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE C[C@H]1CNC[C@@H](C)[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338977 VEXJUQFSJMQOHZ-JYAVWHMHSA-N 400.375 1.570 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CC[C@H](C3)N4)cc2Cl)OC1(C)C 2282829965 NMDFJIDRUVQCLG-PHIMTYICSA-N 418.777 1.826 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282835867 ZFKGTHXSXBBMJO-NWDGAFQWSA-N 402.347 1.021 30 10 HDEE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282850327 NPMPNZNJEFEPNL-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCCC34OCCO4)c(O)cc2O)OC1(C)C 2282978927 SRRDTIWLVZEBCE-INIZCTEOSA-N 405.256 1.422 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCO[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284456623 DCPZIJIJMLSIPU-GXSJLCMTSA-N 401.677 1.673 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)c1cncc(C#N)c1 2296367569 TZSFUTFCWBHPKG-GFCCVEGCSA-N 402.423 1.876 30 10 HDEE COc1ccc2c(c1)c(C=NNC(=S)NCCN1C(=O)CSC1=O)cn2C 2330467312 VYSHYVSWCCVWRS-UHFFFAOYSA-N 405.505 1.680 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2nc(Br)cs2)c1=O 2342961655 JIFFJFLGXWYAOW-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE C=C(CS(=O)(=O)N(C)[C@@H]1CC[C@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2361580498 HDONTOFRZFFJRM-KGLIPLIRSA-N 407.363 1.401 30 10 HDEE COC1(C#C[C@H](N)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362769866 BPCXJLDKJUDKHY-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE COC[C@@]1(C(=O)C#CC(C)(C)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)CCO1 2365199378 NPOKYEJEQGPPJB-GOSISDBHSA-N 403.497 1.035 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2367794891 BYSSTPWFKDLKAF-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796519 QFNUOEXEWHUUPS-RVKKMQEKSA-N 400.541 1.747 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805786 FGZKPGIAKKENQV-KHYOSLBOSA-N 400.541 1.340 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367820556 RMGPTNKUSUXZIO-ZNMIVQPWSA-N 400.541 1.291 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@H](c3ccc(OC)cc3OC)C2)c1=O 101456419 UDTLMTZPRGAFGK-HNNXBMFYSA-N 414.418 1.143 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)COc3ccccc32)cc1 109887380 PKKHOOWVCCUOET-KRWDZBQOSA-N 422.466 1.824 30 10 HDEE COc1ccccc1CN1C(=NC(=O)CCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@H]21 254836397 NRDJKVXKBQPVOZ-TZMCWYRMSA-N 412.489 1.157 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 404828434 SHSCGPGJMWCIIE-JTQLQIEISA-N 403.693 1.942 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 410187053 UYKTWZRFTDFDKW-RBUKOAKNSA-N 419.551 1.103 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nc(C#N)c(C#N)[nH]1 433183043 QZBLHVCKSDKCHB-SECBINFHSA-N 422.264 1.964 30 10 HDEE Cn1cc(C#N)cc1C(=O)NC[C@H](Cc1ccccc1)NC(=O)c1cc(C#N)cn1C 434098063 OTTHPCKBJPVNOX-IBGZPJMESA-N 414.469 1.878 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 465193792 JWBGAFQHVURGCT-KXBFYZLASA-N 420.473 1.817 30 10 HDEE N#C[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)c1ccc(Br)cc1 468397830 QVKFIJSNTYOOMU-INIZCTEOSA-N 414.263 1.775 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 475748018 FBWNPRNSRFKLFL-KDOFPFPSSA-N 404.854 1.636 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)cn1 480041689 FXIJUDQMIFUMGF-INIZCTEOSA-N 408.466 1.941 30 10 HDEE Cc1ccc(CN(CCO)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)o1 483236906 YTYBXBICHVKTQH-OAQYLSRUSA-N 414.481 1.931 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 487821605 MBPARPKEFIAGLL-UHFFFAOYSA-N 414.506 1.857 30 10 HDEE CCOc1cc(NC2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)ncn1 489643444 TZMINWDWEPKGHA-UHFFFAOYSA-N 402.480 1.716 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 501352242 SRYAYQQDVJADMR-CQSZACIVSA-N 412.475 1.540 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)CC)C1)c1nc(C(=O)OCC)cs1 501950050 FTGVMJDTRPANCT-CYBMUJFWSA-N 415.537 1.901 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 513109214 XRDYXSRCKBFNNM-QGZVFWFLSA-N 405.524 1.196 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2[N+](=O)[O-])c(=O)n1-c1ccc(F)cc1 514517026 MBYBJBRLMUSZJW-UHFFFAOYSA-N 424.413 1.195 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)cc2C1=O 523513530 JIDWJVGITAANMK-HNNXBMFYSA-N 417.421 1.926 30 10 HDEE CCOC(=O)CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 535523994 ITLYUVMFHJCVHZ-HNNXBMFYSA-N 421.519 1.807 30 10 HDEE N#Cc1cccc(N2CCN(CCC(=O)N3CCN(c4ccccn4)CC3)CC2)n1 546918472 OTMCQPUCJYEGIJ-UHFFFAOYSA-N 405.506 1.209 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 553248558 AFMRCEDHXMJDKU-SFHVURJKSA-N 420.535 1.644 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cnccc3C#N)CC1)C2=O 553697094 QEDLENBHNUEIFS-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE C[C@@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCN1c1nccn2cnnc12 560599630 QRLBAMUSMDHLDT-CQSZACIVSA-N 405.437 1.904 30 10 HDEE C[C@]1(c2cc(F)cc(F)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 569042946 QOOUUQUESDYPFN-GOSISDBHSA-N 420.397 1.472 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c(F)c1 579423810 JOBVRCNOVXYFTA-UHFFFAOYSA-N 405.411 1.653 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 590914019 OBKMHAHQEJFUJK-QGZVFWFLSA-N 411.527 1.427 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 608856653 BHQZWOUQTWRPCR-UHFFFAOYSA-N 420.878 1.889 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)N1C(=O)c2ccccc2C1=O 609621872 CSZYYWITFBSCAS-AEFFLSMTSA-N 402.454 1.908 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 610810620 KHSQNAASAYTZAB-ZDUSSCGKSA-N 401.444 1.579 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669814126 DMWASLDCUHJQSA-KRWDZBQOSA-N 410.478 1.558 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H]2CSCN2C(C)=O)n1 726798415 VAFDVZYWLQKZEX-LLVKDONJSA-N 410.550 1.660 30 10 HDEE C#CCN(C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 729333636 ZZOCFTVGKDLVGX-HIFRSBDPSA-N 401.481 1.027 30 10 HDEE CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 731861037 GVYCNGSXFWOFHX-JPWUFHEYSA-N 420.491 1.020 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 732153279 GLFATTZMMVTXJG-AOMYARPXSA-N 416.865 1.331 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 732155773 FSWVXILWVICPTC-ZBJSNUHESA-N 416.441 1.736 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCN1C1CC1 732649051 ODJKRCPMMABXNU-QUCCMNQESA-N 416.547 1.427 30 10 HDEE N#C[C@H]1CN(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CCN1C1CC1 732672347 HMZMYGXDYCIOOP-YJBOKZPZSA-N 407.396 1.626 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCN1C1CC1 732675041 VSCCATIVQDBPGQ-HSZRJFAPSA-N 424.593 1.966 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)CCN1C1CC1 732706005 BAQCBPINWVJASL-IBGZPJMESA-N 418.457 1.471 30 10 HDEE CCc1cnc(N2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)s1 745813241 JZEVMERZXTUQNU-NXVVXOECSA-N 404.496 1.064 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CCCC1 756911894 YZDYIWOBELCXNI-UHFFFAOYSA-N 407.511 1.536 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Cl 760619848 HUWZHNJIOLWCSN-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2cccnn2)C1=O 766424675 OHULNNONSFAJAX-HNNXBMFYSA-N 418.548 1.738 30 10 HDEE C#C[C@H](C)N1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 774284109 KNPHCLBVJBJFLJ-MAUKXSAKSA-N 411.531 1.969 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1(C(=O)Nc2ccccc2)CC1 779352071 PMZBLELVTKQLRN-UHFFFAOYSA-N 412.471 1.403 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780203854 CAXDYEXTPJNQDU-FQEVSTJZSA-N 411.414 1.207 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 780206550 QYZUZADUOFZHDN-OAQYLSRUSA-N 408.454 1.999 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)N3CCC(C)(C#N)CC3)ncnc1-2 780829168 OBBGVVQIYAHNDE-UHFFFAOYSA-N 421.303 1.246 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 780914936 MXUKMDXBEHLBRK-FQEVSTJZSA-N 403.442 1.986 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@](C)(c3ccc(C)cc3)C2=O)n1 788369853 MZWJAMWVYYKFQW-HSZRJFAPSA-N 408.502 1.947 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)n1 789320892 KTGXYJFTVUIVOI-NRFANRHFSA-N 423.561 1.870 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(F)(F)F 790194440 GKRPHAJOKYGHRM-LBPRGKRZSA-N 417.409 1.853 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@@H]1CCCO1 790356939 TWXBBTSZVOLASE-SFHVURJKSA-N 403.467 1.301 30 10 HDEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 792744316 AVSBNUUQYWVEPA-HOTGVXAUSA-N 404.540 1.314 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796426106 WEMBEMUBSLLTDA-CRAIPNDOSA-N 403.483 1.414 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798741449 QJWLAAXNLACGQJ-XQQFMLRXSA-N 401.423 1.537 30 10 HDEE CC(=NNCCCN1CCOCC1)c1cc2c(cc1Br)NC(=O)CO2 799489873 GJQRBMGUALCXRB-UHFFFAOYSA-N 411.300 1.816 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@](CO)(c2ccccc2)C1 801472509 JQMNNCODSZXKHV-NRFANRHFSA-N 413.499 1.278 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCC2(C#N)COC2)cc1 811045429 BPZJEICAKJIOFZ-QGZVFWFLSA-N 406.460 1.516 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856588599 ASJBRNXSYMWBQU-NRFANRHFSA-N 423.517 1.792 30 10 HDEE N#Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CC(=O)NC1CC1 917699232 GLJUOUYUBYWGEV-INIZCTEOSA-N 411.487 1.437 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)[C@@H]1CCS(=O)(=O)C1 1125884806 ZYMIATQPWZOXQJ-LLVKDONJSA-N 400.382 1.250 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130774499 NMQJINKRIOLJKU-UTJXIGIESA-N 411.462 1.264 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1130806075 BEJZFHVXEKLGAS-OAHLLOKOSA-N 419.913 1.043 30 10 HDEE COc1ccc(CNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)cc1C#N 1132845478 BLASDZQCKOOVAS-UHFFFAOYSA-N 422.503 1.720 30 10 HDEE COC(=O)c1cnc(C(=O)Nc2ccc(C#N)cc2I)cn1 1133967152 INHXANZZYFHNLP-UHFFFAOYSA-N 408.155 1.992 30 10 HDEE CCc1noc([C@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1134505447 LPQUWKMSESVTRL-LSDHHAIUSA-N 417.491 1.890 30 10 HDEE Cc1ccc(C(=O)N2CCc3nn(C)c(=O)cc3C2)cc1B1OC(C)(C)C(C)(C)O1 1137073700 ROMVCHQBKZTFCD-UHFFFAOYSA-N 409.295 1.586 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NC1(C#N)CCSCC1 1137573860 JVLYSDPBBGGWGP-LBPRGKRZSA-N 405.542 1.220 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccc3c(c2)OCCO3)nn1 1142655692 RVNMCTHDPIJCSO-INIZCTEOSA-N 412.450 1.548 30 10 HDEE Cc1nc2n(n1)C[C@@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC2 1143591594 JXWRAMJDLIJWMM-AQZMIJIOSA-N 414.510 1.804 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1148500121 TXOJRXIDQOJUOD-CYBMUJFWSA-N 406.435 1.749 30 10 HDEE C[C@H](c1ccccc1)N(CCO)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1152710894 BIQSBOVAZREPTD-OAHLLOKOSA-N 401.488 1.697 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779663 SCLPPRKPVBLWQX-WWMYMODYSA-N 420.462 1.009 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H](NS(=O)(=O)c3cccs3)[C@@H](C)O)cc2n1 1156690837 UBJSIZWJOLNHDA-PXAZEXFGSA-N 420.516 1.950 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(N)(=O)=O)c(Cl)o3)CC2)c1C#N 1160236922 QBWDOUNOKZPDRW-UHFFFAOYSA-N 415.884 1.179 30 10 HDEE Cn1c(=O)[nH]c(N2CCC(c3nccc(-c4cccc(F)c4)n3)CC2)c(C#N)c1=O 1163823313 BAIHQNYWQCFLRA-UHFFFAOYSA-N 406.421 1.925 30 10 HDEE CC(C)[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC=CC1 1163848753 BGZSAPPFEQZTJL-MAUKXSAKSA-N 405.520 1.695 30 10 HDEE C#CC[C@@]1(C(=O)N(C)CC(=O)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1169040600 HIRCBQGQWFXUEN-NRFANRHFSA-N 406.527 1.012 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)CCOCC1 1178168494 BGPPSYANYLYUAJ-UHFFFAOYSA-N 421.563 1.527 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(S(=O)(=O)NC)cc1 1221305236 LXRTUSDCXWYAFH-CQSZACIVSA-N 409.508 1.642 30 10 HDEE C=C(C)COCCNC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1230250194 UQDMESVWCYUCNF-HNNXBMFYSA-N 411.499 1.631 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](N3CCOCC3)CC2)C1 1233850744 DCKFNPMBGRJPHK-KSZLIROESA-N 421.542 1.642 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCCc3ccc(C#N)cc3)C2)cc1 1248529467 DWXDBTRYEOLEKU-UHFFFAOYSA-N 414.487 1.482 30 10 HDEE CC[C@@H](Cc1cn(C)c2ccccc12)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1253974958 VLSXQSMFOWGXDR-INIZCTEOSA-N 420.473 1.900 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CO1 1256056333 YPILPOAOHNGOJD-HNNXBMFYSA-N 402.455 1.336 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCCS1(=O)=O 1286375989 BRTOCRFRFVKXNX-QAPCUYQASA-N 416.503 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(C)(C)O 1286408147 DROYTKVEJYYLJK-UHFFFAOYSA-N 404.474 1.426 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1cccc(OC)c1 1286414710 DABIJHZYUVUAHZ-SFHVURJKSA-N 421.501 1.949 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1286634666 ALNJAJCCWWORNG-KBXCAEBGSA-N 424.889 1.952 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1286645107 UXCLWQXTUWWGEJ-BZSNNMDCSA-N 402.543 1.885 30 10 HDEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286704093 ZIYXRWZUBNKJMG-UHFFFAOYSA-N 414.554 1.904 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccs1 1286713439 FQRYIFZAFDGECV-GFCCVEGCSA-N 412.541 1.002 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CC(N)=O)cc1 1286794645 NDXCHTISZOLQGQ-HNNXBMFYSA-N 409.494 1.992 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](OC)C1 1286816645 MGAFOUZEOFHETF-AWEZNQCLSA-N 411.915 1.819 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1288241765 OGKXWBQJZBOXMV-ZDUSSCGKSA-N 404.421 1.400 30 10 HDEE COC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1288916792 ZGLVURYNQFNVQT-SZMVWBNQSA-N 414.462 1.321 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1Br 1294724076 XZZCQRGULJQYQW-UHFFFAOYSA-N 414.281 1.051 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCC(=O)N2CCN(c3ccccc3)CC2)CC1 1297800016 AXGXUAWKTUSUDB-UHFFFAOYSA-N 412.490 1.421 30 10 HDEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1298095389 GFSUAZPEAAXWBZ-UHFFFAOYSA-N 423.565 1.928 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CCO1 1299137137 APWMPXHJOZYCFI-GOSISDBHSA-N 408.462 1.115 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300413097 OIPBFRMRWMWSDG-QGZVFWFLSA-N 419.493 1.209 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCCn1cc(Br)cn1 1300460356 UAOVKRXCMBVRRT-UHFFFAOYSA-N 403.288 1.797 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300488714 UTVWCMWREBSFBV-SJLPKXTDSA-N 417.535 1.638 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCC(=O)NC1CC1 1300541268 PENSPMHZBKWENL-UHFFFAOYSA-N 415.501 1.648 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1300681848 DAIBGKZXPAPBNQ-HTAPYJJXSA-N 423.521 1.232 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300839240 FBIOTCGQLNVOEK-AWEZNQCLSA-N 418.299 1.805 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300957499 WSUQNXXHWYBZBI-MRXNPFEDSA-N 407.482 1.372 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCCNS(=O)(=O)CC)CC1 1301087685 QDLKYLADBKMVCW-UHFFFAOYSA-N 404.540 1.750 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1301467183 NHTDCTDWUBDSPH-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301473661 HAWVOFLOWRTDLY-FQEVSTJZSA-N 401.515 1.565 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@H]2C)C1 1301555694 CYLGNXCBROQRFR-BRSBDYLESA-N 424.567 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](CCOC)C1 1301579530 VAINYMOPCMPJTJ-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1301585303 LNCJVLVAXBEEOY-UHFFFAOYSA-N 407.540 1.205 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC1CCOCC1 1301806822 USWFKWPSEPJZBR-UHFFFAOYSA-N 416.482 1.799 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1302457127 MMZGGPKQKRUNEF-INIZCTEOSA-N 408.415 1.340 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1308142071 PABUYTIGYAQDPT-IBGZPJMESA-N 417.531 1.210 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1309460903 BTYLOLBLKJJMIA-IBGZPJMESA-N 415.446 1.979 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc2)C1 1309924312 LWDCMZBCEKMOPP-UHFFFAOYSA-N 407.469 1.131 30 10 HDEE C[C@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CS1(=O)=O 1312970252 HPKDZFPHXLUHSI-JSGCOSHPSA-N 407.496 1.221 30 10 HDEE CCN1CCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1313902487 YXVSYTDLXZHTRF-IAGOWNOFSA-N 401.540 1.847 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1314886747 WEOAGBJUBFCEAB-UHFFFAOYSA-N 410.459 1.811 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)c1 1316528222 AHRHJLIXJFBCCL-UHFFFAOYSA-N 405.462 1.416 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2[C@@H](C)CC(=O)C[C@H]2C(=O)N2CC[C@@H](OCC=C)C2)C1 1344129042 GRCSHTKSVYLYTH-JOZSIVFUSA-N 418.534 1.825 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1352653165 YOSVWADCPLZWNI-IBGZPJMESA-N 421.519 1.193 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1358890253 MSRHVSITKUFPFQ-LSDHHAIUSA-N 420.514 1.181 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@]1(N2CCOCC2)CCSC1 1358950787 YLFFMLWSGBZLBP-OAQYLSRUSA-N 412.563 1.541 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1358977254 IHJBCWBEILIUHV-KRWDZBQOSA-N 405.458 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1358998105 QEGBNQGXGRFTRJ-HXUWFJFHSA-N 405.458 1.607 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359032163 DVCFXFJGIQURFY-QGZVFWFLSA-N 417.535 1.569 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359094109 XETOCDTZJCGONM-MJGOQNOKSA-N 410.526 1.808 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359197646 VSEKLDXFZAFEGK-KRWDZBQOSA-N 418.542 1.600 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(F)cn2)CC1 1359331896 KBMSLVVJJMWZQT-UHFFFAOYSA-N 420.514 1.617 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359342535 ZWPIAXPVKPDTID-DLBZAZTESA-N 409.556 1.780 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1360784504 GEJAPRTZYNHWSA-QAPCUYQASA-N 407.540 1.879 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cn1 1435257313 QPDNYVSONADUGF-UHFFFAOYSA-N 415.519 1.539 30 10 HDEE COCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1443672489 JBBVGESGNQDVSJ-GJZGRUSLSA-N 417.528 1.236 30 10 HDEE C[C@H](CC(=O)N1CC[S@](=O)C(C)(C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1449599546 DCNGMVURKGARRL-SRGMZFCMSA-N 411.549 1.263 30 10 HDEE CCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c([N+](=O)[O-])cc1OC 1462990257 SMLLDTRMENBSLG-GTNSWQLSSA-N 409.420 1.012 30 10 HDEE CC(C)N1CCN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)CC1 1462990802 UFJAUWUAWJVSMZ-RXVVDRJESA-N 416.547 1.227 30 10 HDEE N#Cc1ccccc1OCC(=O)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1463457534 YCKSXJRCPNBGLY-CJNGLKHVSA-N 402.394 1.905 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 1465266686 VAVCOQOKHJSCMN-QGZVFWFLSA-N 404.532 1.714 30 10 HDEE C#C[C@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1468354753 SXPFQLWTQJYFCK-NRFANRHFSA-N 400.523 1.545 30 10 HDEE CC[C@H](C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1469319198 FGQJYPSBPLZDEA-YJBOKZPZSA-N 407.536 1.872 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](C)N2C[C@H](C)O[C@H](C)C2)cc1S(=O)(=O)NCC#N 1469557123 FCOCEAHMFVDLCH-OAGGEKHMSA-N 408.524 1.024 30 10 HDEE C#CCCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1470068983 JVABNGCSLYGUOJ-UHFFFAOYSA-N 407.515 1.400 30 10 HDEE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1470213622 GXFSEVHDZVIFHI-RTBURBONSA-N 400.504 1.734 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CCC#N)CC1 1471237199 KBYQSHGWMLPLLQ-QGZVFWFLSA-N 419.507 1.504 30 10 HDEE NC(=O)CCn1c(SCC#CCN2C(=O)c3ccccc3C2=O)nnc1C1CC1 1472973506 CXQUBOAOFIDJSM-UHFFFAOYSA-N 409.471 1.423 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1475296027 DXNSFAGDTJAPMD-UONOGXRCSA-N 401.410 1.898 30 10 HDEE C[C@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@H]1CN(C)CCO1 1478171152 FNHNPTXNZIGSKD-OXJNMPFZSA-N 423.521 1.499 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1Cc3cccc(C#N)c3C1)CCS2(=O)=O 1479523456 DQJUOYXJEVPBEO-NGEICVOHSA-N 417.487 1.482 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1503552841 NMSJWUAZGHQNLV-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1507516573 LKYZZLJEWDHFHI-NEPJUHHUSA-N 411.557 1.139 30 10 HDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507592066 VOEGPCKPWFRILB-UHFFFAOYSA-N 420.561 1.991 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1507692297 QRLONJYVCXBEQH-GOSISDBHSA-N 407.522 1.697 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(=O)Nc1ccc(F)cc1 1507708802 MHTPEKGIGNFHOO-UHFFFAOYSA-N 411.441 1.542 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2c(C)noc2C)CC1 1507736194 HAVTZEJBCMCYRZ-UHFFFAOYSA-N 421.505 1.903 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507757221 VSCCQKJRUOQLSH-INIZCTEOSA-N 422.551 1.998 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1508127289 URGHZDXWRQMFIE-MSOLQXFVSA-N 424.567 1.778 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508160485 URRXKDDWXXJVBC-SJORKVTESA-N 420.583 1.307 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1509946667 HWZBAIPXYFPAJR-HNNXBMFYSA-N 422.555 1.496 30 10 HDEE COCC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1518971644 FLYMJEYFLGPORA-UGKGYDQZSA-N 413.522 1.970 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C[C@H]1OC 1519500687 DCCKSRSNJVYKEE-KDURUIRLSA-N 407.478 1.757 30 10 HDEE C[C@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1520733369 ZERKDGJNYAQIFR-GDBMZVCRSA-N 413.482 1.982 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2C[C@H]2CC(F)(F)CO2)cc1 1521096023 UYIHUQRBPDRHTI-OAHLLOKOSA-N 407.446 1.810 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC4(C3)OCCO4)CC2)cc1 1537136026 XWDQAGRJFMLACF-QGZVFWFLSA-N 419.503 1.371 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C1CCN(C)CC1 1538519887 NWCJYNJRDAVYJV-QGZVFWFLSA-N 420.579 1.615 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1539343212 HGOGDUWMDNDTBV-HZPDHXFCSA-N 417.535 1.914 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539512212 AQHCOYGOIDRRFP-DLBZAZTESA-N 402.524 1.429 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1540875473 NFPHMOCLGCYLLN-OAHLLOKOSA-N 403.487 1.267 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1547250167 ALNUVMBGYIXLKW-UHFFFAOYSA-N 409.494 1.448 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)c1 1557002950 KGBGBADJTUYZPJ-SFHVURJKSA-N 401.444 1.628 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21)c1cc[nH]n1 1557396015 XVWUVTFXHUZAMM-IJEWVQPXSA-N 420.466 1.274 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCCN(C)c2ccccn2)ccc1F 1558087689 GRVDFMBXHXCLFP-UHFFFAOYSA-N 406.483 1.941 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1OCCc2sccc21 1558992713 HPVYGTRWKMOVGW-SGTLLEGYSA-N 405.501 1.717 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccccc2CC#N)CC1 1561157655 HATSLMYFODOFQZ-UHFFFAOYSA-N 420.579 1.857 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1566409723 KUDVBRUEWDHBBT-HUUCEWRRSA-N 415.556 1.634 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H](OC)c1ccccc1F)c1cc[nH]n1 1566870770 JYUOSRLORKXFFD-SGTLLEGYSA-N 406.414 1.725 30 10 HDEE C#C[C@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1585149100 SVFWXPJLEPMDPU-OLRZCDJHSA-N 412.552 1.679 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 1587454065 QDAIMFGGZXTCDZ-UHFFFAOYSA-N 415.471 1.565 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1587567649 IGFGZORJGHLKSM-USCONSEESA-N 415.538 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1587620632 IKZFXAAWXXTMNK-KIMHZCHSSA-N 422.489 1.190 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCCn1cnnn1 1587944759 CBHFBICFDDBNOC-UHFFFAOYSA-N 410.482 1.887 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588030559 XKWMEACJYMFNDA-BBWFWOEESA-N 424.567 1.254 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588040999 TZKLZDCREWHSOK-DLBZAZTESA-N 418.519 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)C(=O)NCC 1588113113 HQPVDCKORZCLGS-UHFFFAOYSA-N 407.474 1.909 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CCC)CCC2)CC1 1588742131 NVEOOOWATXGJFY-KRWDZBQOSA-N 422.599 1.614 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(C)=O)CC1 1589530642 XQPXCVLTJLNNJG-APWZRJJASA-N 413.526 1.765 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589568841 MXDPLLJYVLHWKG-INMHGKMJSA-N 400.545 1.665 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1594023305 HWRVRWWLCFETLQ-KRWDZBQOSA-N 417.432 1.765 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)cc1OC 1595530081 RXEWFDNPEOUKJD-UHFFFAOYSA-N 423.477 1.691 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2nncn2C)C1 1595689255 TYJVXENONDFKJB-MRXNPFEDSA-N 410.438 1.811 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1595879562 XQHKHYJPGJPRDX-MRXNPFEDSA-N 409.556 1.734 30 10 HDEE Cn1nc2c(c1C(=O)Nc1ccc(Br)c(C#N)c1)CS(=O)(=O)CC2 1595885104 BQVMMEPYFJVRRJ-UHFFFAOYSA-N 409.265 1.777 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1595890460 VJOQLWWPUPEGIE-UHFFFAOYSA-N 416.551 1.478 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCOCC1 1597739507 GJHUUBCNNCNYLY-GVDBMIGSSA-N 419.526 1.467 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@@]34CCOC4)C2)C1 1617717244 PJNJGRDGQSCNPF-CMZAIVPFSA-N 405.495 1.791 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1618890319 WDXQTZMEBIOHLP-IRXDYDNUSA-N 418.498 1.379 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@@H](C)O1 1619733333 CUGUKQPUZPRMME-VQIMIIECSA-N 422.493 1.739 30 10 HDEE CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1623626859 BEOVVWQCQKVQAD-HXUWFJFHSA-N 404.467 1.819 30 10 HDEE COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)ccc1C#N 1627185581 DZEOCQRDRBWMGT-KRWDZBQOSA-N 415.471 1.965 30 10 HDEE Cn1cc([C@H](O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1630024752 SLYJFMQDBFOCKK-YEHZLQJGSA-N 403.483 1.357 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1630830977 WDURIOQNWBSZJP-SNVBAGLBSA-N 416.253 1.202 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2Cc2ccccc2)CC1 1632091825 KJBHFOYITMUWNF-MOPGFXCFSA-N 404.536 1.193 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)C(=O)OCC 1635606444 IIEICQMLDLWSPI-WCQYABFASA-N 406.863 1.683 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)NCc1ccc(CC#N)cc1)C1CCCC1 1636450429 AKBIZOZHUCHGGJ-SFHVURJKSA-N 407.540 1.507 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ncc(C(=O)OC)s2)c1 1636523890 VALIGKKRQRRDCX-UHFFFAOYSA-N 409.489 1.367 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)NC(=O)OC(C)(C)C 1637279602 ZEFZLAAQOSQTQJ-RYUDHWBXSA-N 410.496 1.143 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C1 1639265781 ZIOPXOKJZYOMGE-GOSISDBHSA-N 416.478 1.713 30 10 HDEE CCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCc2ncsc2C1 1639810080 IPPIPYOYGQXMLC-CQSZACIVSA-N 401.492 1.853 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1640020148 PGDCBIBPZWFMKX-UHFFFAOYSA-N 415.581 1.473 30 10 HDEE C=CCC1(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCOCC1 1640062381 OUBZPQMKYJZYBW-UHFFFAOYSA-N 403.298 1.952 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1640208849 XDDUTAYBUHWVTD-IOSXPMGOSA-N 416.540 1.973 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1641159054 GUGDWFAWNAOUPR-UHFFFAOYSA-N 424.595 1.903 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1642544937 MLWUIZVDAUGAFO-WUKHSURWSA-N 411.451 1.375 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1 1645683706 RXKGKCHYOOJZIL-LIRRHRJNSA-N 417.307 1.871 30 10 HDEE N#Cc1cccc(Oc2ccnc(N3CCOC4(CCS(=O)(=O)CC4)C3)n2)c1 1652330418 TXEWWJKPOGYYAN-UHFFFAOYSA-N 400.460 1.925 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1653544033 JVPGNDMXQPAHEC-AWEZNQCLSA-N 405.501 1.600 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c(OC)cccc1OC(F)(F)F 1654718175 YGDILAPCQMCXQX-UHFFFAOYSA-N 403.400 1.473 30 10 HDEE COC1CCN(S(=O)(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CC1 1655201255 DHQDMXZZASOQMT-SFHVURJKSA-N 412.943 1.878 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCNC3=O)cc2)c1 1656646597 UYGIHXKFFNQVRC-UHFFFAOYSA-N 414.487 1.611 30 10 HDEE CCCN1C[C@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1=O 1663962741 BMFLCHCPGAJXAA-NSHDSACASA-N 400.298 1.858 30 10 HDEE C#C[C@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1665156138 JXHQPLPVBGVSEI-KRWDZBQOSA-N 415.556 1.581 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CC1 1665602743 HCAVAJAQSRYFDR-UHFFFAOYSA-N 421.288 1.779 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)C1CCOCC1 1666464357 GZKQCHNPBGKYJU-LJQANCHMSA-N 400.479 1.507 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCc3nnc(S)n3C3CC3)C2)nc1 1674009180 CDKOQCYXOPTBTJ-AWEZNQCLSA-N 412.523 1.997 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCSc2ccc(F)cc2)CC1 1675047057 CGBSAMCIFRNBFL-UHFFFAOYSA-N 414.528 1.103 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OC(C)(C)C)CC1 1675483875 DZNCJHDGPDJWPY-UHFFFAOYSA-N 412.487 1.620 30 10 HDEE CO[C@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCOC1 1682635867 KDZMTJNFLLIPIA-UYAOXDASSA-N 424.505 1.831 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1687614741 LFUQKOTZTQQYLJ-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1689853823 ZCNMIJPAAXHDFI-CABCVRRESA-N 420.514 1.133 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)nc1OC 1689998764 VWWACFUGCKKSPP-UHFFFAOYSA-N 408.462 1.047 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1 1690132392 PIHGAXMVIOAECQ-UHFFFAOYSA-N 420.517 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOC[C@@H]1C 1690661644 CBDQGKPHROCRDU-LBPRGKRZSA-N 423.315 1.573 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](COC)C1 1690663110 MHQPMSIUZQIZPF-INIZCTEOSA-N 411.462 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2cnn(CC)c2)CC1 1690668634 CJQJEHCFSCJBCG-UHFFFAOYSA-N 423.525 1.581 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690678418 VTZRNUFWSDTGRA-NRFANRHFSA-N 420.558 1.153 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1690693553 CQBHHXAOZXYASV-IRXDYDNUSA-N 419.551 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@]2(CCOC2)C1 1690718812 ALJIRHQBOHUBHJ-LJQANCHMSA-N 422.507 1.443 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCOC[C@@H](C2CCC2)C1 1690729068 FYLRKUWPLHIFGV-KRWDZBQOSA-N 412.556 1.668 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCCN1CCOCC1 1693541054 DAYFYINJTHSAJM-UHFFFAOYSA-N 410.526 1.292 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCOCCOC 1694782845 WXCISBKVIYNTDG-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696281831 HZWWPAIMKUIYKE-XACUDEJRSA-N 418.498 1.202 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697928521 AMLDCLDKZWPYCI-NRFANRHFSA-N 423.477 1.596 30 10 HDEE C[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1698439963 GBTYZAULOXBFKF-FVGNSWKDSA-N 402.499 1.309 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1705551099 GMFZRGCAKZNSGI-OAHLLOKOSA-N 405.549 1.805 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1705564103 LHOPTFWDJKSBHT-HNNXBMFYSA-N 403.508 1.392 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1705583363 WRNBBZYRFNXSAV-GJZGRUSLSA-N 410.590 1.102 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 1705707364 JXORVUMCRDYWST-CAMMJAKZSA-N 419.526 1.310 30 10 HDEE C=C[C@](C)(O)CC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1718885964 MQZNKGBELCIEQX-RWGKDQLYSA-N 402.466 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(C(=O)N(C)C)CCCC1 1722396574 ZPCPSRSDRGAZHM-UHFFFAOYSA-N 407.522 1.790 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1722701052 DSVSHTSNSFMJLO-UHFFFAOYSA-N 415.567 1.620 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](CCOC)C1 1722727143 MDIXJLAYCHBVBU-SJORKVTESA-N 412.556 1.983 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1729556291 CQNCCZOCFFPXJS-UHFFFAOYSA-N 410.459 1.811 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1740628932 WOEIGIUTGJZRCF-OAHLLOKOSA-N 423.926 1.538 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1740629963 CXGVAAXYEHYZKW-INIZCTEOSA-N 415.519 1.212 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1740644552 LBALQLIAYHPNRN-MRXNPFEDSA-N 416.526 1.792 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCNC(=O)c2cccc(O)c2)CC1 1740690052 MUWDHOUCXKBPHK-UHFFFAOYSA-N 424.549 1.857 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCc2noc(CC)n2)CC1 1740698593 XVWHBMMYCSHTML-UHFFFAOYSA-N 411.535 1.874 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(N)=O)C1 1740759270 HQCGMCIPFKEHGS-BJLQDIEVSA-N 410.522 1.947 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1740796614 ZQBMTEQWSHFXKO-GOSISDBHSA-N 415.542 1.824 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1748655997 JNSWRDSNGSQDBI-ZDUSSCGKSA-N 423.926 1.391 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCN(C)C1 1748968818 MPPBSFUXGCVYHI-HSZRJFAPSA-N 422.533 1.434 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOC[C@H]2CCOC2)CC1 1748993889 PUOWTFWEGXSYGJ-OAQYLSRUSA-N 424.549 1.462 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1749210027 AYXIEGUZEHLWJL-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2=CCCOC2)CC1 1749303306 HVIARWHOHUTABV-KRWDZBQOSA-N 423.539 1.114 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCC1CCOCC1 1750155280 YMMDOJYOBPOROU-OTWHNJEPSA-N 419.526 1.938 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1 1750215700 BUXWEHYXPJELFF-UHFFFAOYSA-N 413.507 1.496 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@@H]2CO)C1 1750380685 WZDARMLLEDGEPO-UZLBHIALSA-N 414.489 1.414 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1750382230 QFNYRFLRIYRZHA-HOTGVXAUSA-N 400.389 1.970 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCCO1 1752389825 ZODRSMBPYUEHNB-QGZVFWFLSA-N 415.494 1.743 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)C 1760207414 IBLUZXWUUDJZPH-UHFFFAOYSA-N 404.474 1.574 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1760254416 WPGVGUHVUSODAL-UHFFFAOYSA-N 406.534 1.665 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccsc1 1760274253 HUKJIMHLIXMGTR-ZDUSSCGKSA-N 413.594 1.953 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1 1760312919 GNNLRAPVYAPCJN-DLBZAZTESA-N 416.526 1.197 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC2(CCOCC2)C1 1760559304 LSFZNEUBYFONCO-MRXNPFEDSA-N 410.540 1.737 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760692436 GQOQRLSQTMCUNH-LSDHHAIUSA-N 403.512 1.217 30 10 HDEE CCc1nnc(N2CCc3ccc(OC)cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764849095 FGSWTKDLAFPZAU-QZQOTICOSA-N 422.489 1.938 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1768200134 QMTSFOJOEJCUGI-ZWKOTPCHSA-N 413.478 1.494 30 10 HDEE O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)ON1C(=O)c2ccccc2C1=O 1772790049 OGHQESPFDDXENL-UHFFFAOYSA-N 417.395 1.376 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1C#N 1852172150 BXJACCKFGPPRFP-INIZCTEOSA-N 401.492 1.722 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3cnn4ccc(C(F)(F)F)nc34)CO2)nc1 1852595280 VUKXYPXLNNMRHC-NSHDSACASA-N 404.308 1.992 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)NCC#CCN2CCOCC2)c(Cl)c1Cl 1852754576 ITTGQODLXZUWLY-UHFFFAOYSA-N 419.330 1.852 30 10 HDEE N#CCC(=O)NCCOC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853147245 PRAILMBXDSMMHH-OAHLLOKOSA-N 410.478 1.398 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@H]1CCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1854011474 DVMRHUZHBJJCGZ-ROUUACIJSA-N 403.504 1.127 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)Cn2cnc(C3CC3)cc2=O)C(=O)C12CCCC2 1854521277 ZUJOGWDZHPZBFR-INIZCTEOSA-N 411.506 1.797 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855015666 KGBBQRFGVSNKCZ-IRXDYDNUSA-N 416.547 1.547 30 10 HDEE C[C@@H]1CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855420907 USRPFPYOZCVMOK-QAPCUYQASA-N 403.504 1.589 30 10 HDEE C[C@H](CC(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1ccnc1 1856392945 SVGGBPHAEFPKQS-CVEARBPZSA-N 408.462 1.239 30 10 HDEE CN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4ccc(C#N)s4)CC3)CC2=O)CC1=O 1856901726 HBDYMDXFGMRDLT-JKSUJKDBSA-N 414.531 1.685 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1857237069 UFTZVQUNJDWTRF-QAPCUYQASA-N 419.909 1.813 30 10 HDEE CN1CCN(C(=O)COc2ccccc2NS(=O)(=O)c2ccccc2C#N)CC1 1858037521 JZRKOYAJBDULDG-UHFFFAOYSA-N 414.487 1.512 30 10 HDEE Cc1nc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4n3C)CC2)nc(O)c1C 1859428377 XDPTUCSDRBSLKW-MRXNPFEDSA-N 419.489 1.684 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(N)=O)cn1CCCCN1CCCC1 1870669572 CMXTYEDETFGPRJ-UHFFFAOYSA-N 402.539 1.762 30 10 HDEE C=CCn1c(C(=O)NCCCOC)cc2c(N(CCOC)CCOC)ncnc21 1873593761 HZZFWGDQYUZPJS-UHFFFAOYSA-N 405.499 1.483 30 10 HDEE CCCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1 1874432446 GNMGZECNKJVPGV-SSDVNMTOSA-N 418.523 1.943 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1OC 1874434275 WWVJSOWZRBYCJH-UFWORHAWSA-N 407.452 1.079 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)[C@H]2CCC(=O)N2c2ccccn2)CC1 1891242817 HDWWGKIVHGEADW-QGZVFWFLSA-N 406.446 1.556 30 10 HDEE C#CCn1ncc(N[C@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043991555 OVKDUNYTILLAMW-RYUDHWBXSA-N 413.272 1.343 30 10 HDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(C#N)s2)C1 2118163123 OOFRSBOIQZADIY-RYUDHWBXSA-N 401.510 1.922 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)CC1 2174779738 MJWOQDMJICDGAJ-IUCAKERBSA-N 407.336 1.694 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 2174780533 VTEBSTVVKDUCLH-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CC(C#N)(c2ccc(S(C)(=O)=O)cc2S(C)(=O)=O)C1 2177663935 NKCZVOZUHKUAGA-UHFFFAOYSA-N 414.505 1.506 30 10 HDEE C#CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 2180095829 XFWHYJBHARKNJU-JKSUJKDBSA-N 400.541 1.822 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2188279545 HRGPANDENPKITA-UHFFFAOYSA-N 403.545 1.504 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217442722 YNVYIVUYPGUUBD-JKSUJKDBSA-N 419.331 1.845 30 10 HDEE Cn1nc(Br)c([C@@H](O)[C@H](N)C#Cc2ccccc2Br)n1 2235732248 RSPULNYCYGNUMA-PWSUYJOCSA-N 400.074 1.753 30 10 HDEE C[C@H]1C[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2243662504 BEYIHRKLFFSCIS-WDEREUQCSA-N 424.332 1.596 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243687379 XBHFOBSICJLDIB-GJZGRUSLSA-N 408.304 1.619 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247813237 JOJCPNBVRLHWIC-FQEVSTJZSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829045 QXJXGINGHSUHKK-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2247829930 NUTATOGGTREAEF-QWHCGFSZSA-N 423.319 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247927971 TYRAOUOMTNNQSM-GXTWGEPZSA-N 418.303 1.419 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248403413 DORWODJRNDXFEP-CQSZACIVSA-N 423.319 1.464 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CN)C(F)(F)F)OC1(C)C 2267466121 VUSVOZVLFGWUCV-JTQLQIEISA-N 400.253 1.215 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269030755 OCGFGHWJRJXZFM-SECBINFHSA-N 409.722 1.842 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C2OCCO2)CC1 2282023050 KXSXJTHSNHMUKA-UHFFFAOYSA-N 405.304 1.427 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315342 MNNUPDIJLGZUQB-NEPJUHHUSA-N 421.415 1.746 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](N)CC1 2282326162 ORHSGJMMUKGZPO-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CC(C)(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OCCO 2282329160 IQIKJUCMCOJEMH-UHFFFAOYSA-N 405.347 1.113 30 10 HDEE C[C@@H](O)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282336464 DNDJARNFGPKVHC-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CN(C[C@H]1OCC[C@@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337867 JYNQLRYIWANCJK-NWDGAFQWSA-N 405.322 1.795 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2282339329 XGUMUVMTXCJYPW-INIZCTEOSA-N 402.347 1.226 30 10 HDEE CN[C@H](C)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282501469 XLWOOIZEVDUOSK-LLVKDONJSA-N 402.391 1.940 30 10 HDEE CC(C)[C@H](CN)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282845284 PWLUSDUPGXTORE-AWEZNQCLSA-N 402.753 1.901 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282849795 GZOPRNHVHQJDDT-DGCLKSJQSA-N 401.359 1.733 30 10 HDEE CN(C1CCC(N)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852355 OBJDLSZNBKXXPE-UHFFFAOYSA-N 400.375 1.938 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1C 2282856551 USFILMOKKYLVFK-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC1(C)[C@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282862270 ZYBMWDJFRGDIOH-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CNC[C@H]1CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282862824 IYXJAWWZCXNTSG-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)C[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282871732 LGMSRLPUTIFBIB-JUTIIYIPSA-N 421.415 1.709 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CC[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282875874 VSBOQSQUSOJIJD-VWLOTQADSA-N 421.415 1.663 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(CC(=O)O)C3CC3)cc2Cl)OC1(C)C 2284405844 PZQUJVLFLMURMX-UHFFFAOYSA-N 421.733 1.938 30 10 HDEE C=CC[C@H](N)[C@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314263733 ALBADMNSNAPPNL-ZWKOTPCHSA-N 405.520 1.760 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2319416617 UIXWIXIJYYAWBL-HXUWFJFHSA-N 405.472 1.300 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1OC 2330707561 ZCUJRQQHLWNQOJ-UHFFFAOYSA-N 418.523 1.766 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1 2367799677 CFIDWOVDQLIOFK-BEFAXECRSA-N 400.541 1.619 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CCN1C(=O)OC(C)(C)C 2367800327 IUHPDTLCBXKCGB-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CC)CCNC(=O)OC(C)(C)C 2367825922 TYYODJFKWCSGEZ-BEFAXECRSA-N 402.557 1.601 30 10 HDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1ccc(F)cc1 20292392 TYIYQJZPDIQESV-DNTJNYDQSA-N 417.426 1.719 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(c3ncccc3C(=O)NC[C@@H]3CCCO3)CC2)cc1 22647137 IBVVEHVDBLAYQU-IBGZPJMESA-N 419.485 1.824 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)c1 26250890 RGPMHNRMMFAJFO-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE N#CCCN1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)C1 62040730 FPEQZSOATJBHNP-HNNXBMFYSA-N 414.491 1.842 30 10 HDEE C=C(C)COc1cccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)c1 66063042 BAXVUDHPEJUWMB-IBGZPJMESA-N 417.506 1.970 30 10 HDEE O=C(CCCN1C(=O)c2ccccc2C1=O)NCC#CCOc1ccc2c(c1)OCO2 90730908 STBPGBMWHRHOAN-UHFFFAOYSA-N 420.421 1.990 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCOCC)C2=O)cc1 96567174 QPYRSXFKRDISED-NRFANRHFSA-N 403.479 1.951 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 102740366 VEKXWVGKQLHWPO-HMNTXPNISA-N 400.435 1.373 30 10 HDEE N/C(=N/O)c1cccc(S(=O)(=O)CCn2cc(I)cn2)c1 163233373 PUYTZFYRYAFGMK-UHFFFAOYSA-N 420.232 1.056 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)c3sccc3C#N)CC2)cc1 303544424 VDSLBCOUJGCKQL-UHFFFAOYSA-N 418.544 1.665 30 10 HDEE COc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 410002802 ZLEHMTZPOAMGKR-LBPRGKRZSA-N 404.452 1.143 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)C1=O 410106408 QGAZQGJWXQCIPQ-LSDHHAIUSA-N 411.549 1.537 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 426052237 RZKYDSCAJDTCED-CHWSQXEVSA-N 413.396 1.812 30 10 HDEE COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OCC(=O)NC1CC1 427112234 ANUBQBLDDHCYGZ-UHFFFAOYSA-N 416.459 1.729 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)NCC2CCC(C#N)CC2)c1 441005163 YZQJZCXWLRTHJD-UHFFFAOYSA-N 408.524 1.740 30 10 HDEE CC(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460640966 UPHKQZWLIXQKFS-RDJZCZTQSA-N 412.498 1.399 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(C)C)cc1S(=O)(=O)NCC#N 465371357 HYSNSFJITXJMFY-MSOLQXFVSA-N 404.536 1.884 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2nc(COc3ccccc3)n[nH]2)CC1 474083440 VZVLMZYTPRANGZ-UHFFFAOYSA-N 418.461 1.682 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)N(C(=O)c1cc(C#N)c(SC)nc1O)CC2 476549130 ZDMGAFKILBBTFN-UHFFFAOYSA-N 404.473 1.492 30 10 HDEE CC(C)c1ccc(S(=O)(=O)NCCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 479900611 KHUXXTCBRVKXMD-QGZVFWFLSA-N 406.552 1.830 30 10 HDEE CN(C[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1)S(C)(=O)=O 480161185 NIMGUXROMFKFFP-AWEZNQCLSA-N 417.495 1.274 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1Cc1ccon1 480946081 AOUJSXOUKJDKLK-UHFFFAOYSA-N 408.483 1.221 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 505030405 MZKKKQDPJQTQQC-UHFFFAOYSA-N 418.457 1.635 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 508919466 QQVBEQOGPGDHBA-INIZCTEOSA-N 402.499 1.387 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 509011916 KUBYZWPSFYPYQW-UHFFFAOYSA-N 422.533 1.634 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4C)CC3)C2=O)n(C)n1 509300442 HQRJCHVNUHRQSP-HXUWFJFHSA-N 420.517 1.862 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H]1c1cccnc1 510098896 IWBSEZVNEDEWPX-JAXLGGSGSA-N 403.486 1.838 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)nc1 524225240 YRXJILNATZOQQB-UHFFFAOYSA-N 420.878 1.889 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(F)cc(Br)c2)CC1 524516184 VFYRUSVUTLAUPW-UHFFFAOYSA-N 413.291 1.718 30 10 HDEE CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCCC[C@@H]1N(C)CC(=O)NC1(C#N)CCC1 527377880 YGLHUXHGCQWZJZ-ROUUACIJSA-N 414.554 1.286 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 535875304 HSJRPVRLBJNHAR-DHXZDTOLSA-N 407.492 1.020 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])s2)c1=O 541074458 AHUMMNHWAMJBLL-UHFFFAOYSA-N 401.469 1.938 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)c1 543381192 FUICQUBFOBXLBN-SFHVURJKSA-N 405.462 1.375 30 10 HDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 555267146 OVPCWUJZZUEFTF-HNNXBMFYSA-N 407.482 1.757 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](CC1CCN(S(C)(=O)=O)CC1)NCC 691246887 VIDKBOLZDPSHLP-IAGOWNOFSA-N 401.573 1.943 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1F 704000708 VSZZHYIIRNKDOY-UHFFFAOYSA-N 401.419 1.803 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 726864428 YPAZRDFIYBFYKE-UHFFFAOYSA-N 405.414 1.949 30 10 HDEE C#CCN(C(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 729333634 ZZOCFTVGKDLVGX-DZGCQCFKSA-N 401.481 1.027 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OCC)cc1 730138301 LAGCHWMQWMGWNT-QGZVFWFLSA-N 402.520 1.718 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)cc1 731476161 XFJNMIQIMDBRLM-LJQANCHMSA-N 413.499 1.027 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 732190516 JBDLOFDCAUSUPN-IBGZPJMESA-N 409.490 1.614 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(C#N)cc1 740237216 SOYZDZADUIGTOP-OAHLLOKOSA-N 408.819 1.930 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1C#N 747494867 GDIKVOBAZNTQGA-UHFFFAOYSA-N 422.441 1.294 30 10 HDEE C=C(C)[C@@H](CC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)OCC 755867909 PWVGIQRFUDVVRH-LLVKDONJSA-N 411.304 1.399 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCC[C@H]2CN2CCOCC2)C1 758758493 IJWRQKALSDOKFN-BZSNNMDCSA-N 421.542 1.642 30 10 HDEE C#CCN(C(=O)[C@@H]1CCC(=O)N(c2ccc(C)c(C)c2)C1)[C@@H]1CCS(=O)(=O)C1 760453719 SMLQAWPXDYXQMD-IEBWSBKVSA-N 402.516 1.695 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 764549917 KEJPHXQTSUXINC-IAGOWNOFSA-N 423.558 1.261 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2ccc(C(=O)NC)cc2)C1=O 769108150 HYLIOTAEZNQNMK-IBGZPJMESA-N 424.523 1.911 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)CCC1 771073614 DUFNMCZUZFNXGT-LBPRGKRZSA-N 417.534 1.041 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@]1(C)c1ccccc1OC)c1cc[nH]n1 772301890 FUDVRRFHYADDIS-JXFKEZNVSA-N 400.435 1.549 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774195621 CABBKVPNFCNNLP-ZDUSSCGKSA-N 415.309 1.790 30 10 HDEE C#CCN(C(=O)NCc1nccn1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 774242726 FNPVATOIONITSG-SFHVURJKSA-N 400.504 1.458 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 783547222 IVLURFFBEHSSKP-ZDUSSCGKSA-N 406.551 1.008 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C 783617565 FGURWNCDAWAXTI-STQMWFEESA-N 410.492 1.629 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 788599601 GEKBCMJVYRDNHK-LBPRGKRZSA-N 417.306 1.132 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)n1 789142067 BLAQZGPLEUBMET-OAQYLSRUSA-N 423.517 1.866 30 10 HDEE C=CC[C@]1(C(=O)OCc2nc(CC(=O)NC)no2)CCCN1C(=O)OC(C)(C)C 791717132 QIAROMZTRJVOLQ-LJQANCHMSA-N 408.455 1.747 30 10 HDEE C[C@H]1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 793480784 MXKFNDPWGZRQSN-IAOFPLEJSA-N 406.483 1.665 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(c3oc(C)nc3C#N)CC2)n1 793983666 RCGWAAJXGZTCOS-UHFFFAOYSA-N 410.478 1.576 30 10 HDEE CC(=NNc1ncnc2c1cnn2C)c1ccc(Br)c(S(N)(=O)=O)c1 797401299 BMRIACREMAVPQU-UHFFFAOYSA-N 424.284 1.609 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CC(=O)N3CCC[C@@H]23)c([N+](=O)[O-])c1 799465047 XKLZQTGVDPUOHC-HNNXBMFYSA-N 409.468 1.788 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCC[C@H]1CCCN1C(=O)OC(C)(C)C 800122191 YEMGJUWDSABFOM-OAHLLOKOSA-N 404.533 1.472 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 800778665 BQIFKEPLOLRJIR-KRWDZBQOSA-N 412.519 1.711 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 802600830 UTADPIQSOUDZLM-HOTGVXAUSA-N 423.514 1.672 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(F)cc1 812934852 QRWQHSFPKBKKGA-LJQANCHMSA-N 416.478 1.679 30 10 HDEE Cc1ncc(S(=O)(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1C#N 813652989 RPEWGYZOOQNKCW-UHFFFAOYSA-N 409.512 1.093 30 10 HDEE CCc1nnc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)o1 816295300 CXPSOSFHSIBBJP-UHFFFAOYSA-N 405.480 1.547 30 10 HDEE Cc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c(C)c1 916201242 ITHPVPDXZZBNLY-UHFFFAOYSA-N 408.527 1.194 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 1083951465 CLODXQXLTLOJJO-UHFFFAOYSA-N 407.448 1.983 30 10 HDEE COc1ccc(C(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1084143286 BLRBYLNOFILMDD-UHFFFAOYSA-N 414.447 1.833 30 10 HDEE CN1C(=O)C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N(C)C)c2ccccc21 1084144053 QHZIXPZCOVCDNG-UHFFFAOYSA-N 403.420 1.638 30 10 HDEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)c1 1084508943 FLLPFKCYBZOKRK-UHFFFAOYSA-N 419.511 1.134 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1129338697 LCFZIDMKLBYAMD-KKSFZXQISA-N 416.478 1.959 30 10 HDEE N#Cc1nc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Br 1130036667 MLMHXVKUBCGNRU-FIXIBIHLSA-N 419.235 1.207 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(CC)CC)c2ccc(Cl)cc2)C1=O 1130875149 FWOXTWGXLUMMQV-UHFFFAOYSA-N 420.897 1.992 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1=O 1134302211 UEADLQDALFDRPZ-HXUWFJFHSA-N 415.421 1.457 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 1135646087 WIIJMFNSFSHEEP-AWEZNQCLSA-N 420.512 1.622 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)c1 1136257463 JLCKHNJHDMQRCQ-UHFFFAOYSA-N 416.455 1.609 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(S(C)(=O)=O)nc2)C1=O 1139682546 DAIITTILYGYFER-SFHVURJKSA-N 410.496 1.801 30 10 HDEE CC[C@H](Cc1cccc(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392761 HJCCSZJPKOOBNS-CYBMUJFWSA-N 419.279 1.968 30 10 HDEE C=CCOC[C@H](NC(=O)CCn1c(S)nnc1-c1cccc(C)c1)C(=O)OC 1161230107 KAWAOLSFTQVCDL-HNNXBMFYSA-N 404.492 1.793 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2nc[nH]n2)C1 1162625184 ZZTOALFPULNTLH-CQSZACIVSA-N 416.507 1.420 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 1194690177 GUUPLVPNHCFUQO-RTBURBONSA-N 423.966 1.962 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1198220169 YRUUPFPUEUUCCE-HXUWFJFHSA-N 413.499 1.651 30 10 HDEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1226145170 SIPQVVVGWGLTMO-GOSISDBHSA-N 404.536 1.917 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 1233927442 HBKDANUQXGTOCA-HKUYNNGSSA-N 401.507 1.908 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)C1 1248676577 OSDVNOGHCNEUCV-IRXDYDNUSA-N 404.515 1.092 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)C1 1248677184 WULAETYEFYFICN-GOSISDBHSA-N 414.506 1.269 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC(C)C)NC(=O)OCC 1286358430 KWKJWCUHSRJYTN-INIZCTEOSA-N 404.515 1.744 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1286361415 OQBGNJAQQLSOIZ-OAHLLOKOSA-N 418.523 1.213 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccn(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 1286384508 RBUPJJJVRGWZQO-FQEVSTJZSA-N 424.530 1.506 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286560996 LFXDURVMZXIDDX-NRSFXHEJSA-N 402.499 1.510 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286699617 VFWLTNNRVBRVSO-HUUCEWRRSA-N 400.487 1.280 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1286727047 LLMDIDVKJDUSOE-INIZCTEOSA-N 409.487 1.421 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286784473 IJTLMJWNWXSLFH-GOSISDBHSA-N 407.478 1.349 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286793550 HFBSMZGOPNEGLM-HPFXQQBRSA-N 407.515 1.308 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)C1 1286811101 ZRNTZCNATPVQJE-KURKYZTESA-N 423.583 1.302 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1288126147 NRCNNLLRCYZSHP-HBGVWJBISA-N 416.526 1.884 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)cc1 1289361069 AMPJHVHENSNSOK-WBVHZDCISA-N 407.492 1.146 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1F 1292404665 DRVYQOPFDYRMEX-UHFFFAOYSA-N 418.494 1.566 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)CC2 1295999736 NMKWVNCMGJSESD-UHFFFAOYSA-N 418.862 1.178 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1296603910 APOVROGDLAYGNW-RBUKOAKNSA-N 408.478 1.241 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1298660343 LZUIOHCXOZWMKG-QAPCUYQASA-N 417.510 1.466 30 10 HDEE COC1([C@H](C)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1299523319 AJKOOUBKDPVLBV-KBPBESRZSA-N 409.508 1.204 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)F 1300276238 JLBHVCKAONRDDO-LBPRGKRZSA-N 407.421 1.802 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300407801 DHKCFWYMTDGNBO-SJORKVTESA-N 414.510 1.352 30 10 HDEE C#CCN(c1nnc(CC)n1CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1300499525 UAIJMSCEOHWSHT-MRXNPFEDSA-N 419.482 1.245 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1300512400 PMUFFQRSMNQDDV-OAHLLOKOSA-N 419.482 1.179 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(-n2cncn2)nc1 1300521874 WBVOYGCBMBYMGQ-UHFFFAOYSA-N 419.452 1.914 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1Cc1nnnn1CC1CC1 1300537976 KFTSKDUYEXRCBF-UHFFFAOYSA-N 404.453 1.526 30 10 HDEE C=C(Cl)Cn1c(N(C)CCNS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1301060992 OQJCBZQGPTXGGA-INIZCTEOSA-N 421.951 1.057 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnc2C)CC1 1301085839 BNCKPNFNPNNJRR-QGZVFWFLSA-N 404.540 1.932 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1301256152 PWWMVGXYGJAHLK-CYBMUJFWSA-N 405.398 1.590 30 10 HDEE C=CCSCCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1301624096 RKZUVPQPMOJUIW-QGZVFWFLSA-N 400.570 1.418 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1301967234 BNIITVWFKFIDHA-GDBMZVCRSA-N 410.544 1.397 30 10 HDEE C=CCOc1ccc(C(=O)N[C@@H]2CCN(c3cc(=O)n(C)c(O)n3)C2)cc1OC 1304148784 QNQFCRVIWKFCLJ-CQSZACIVSA-N 400.435 1.068 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)C1 1306652573 UGSHHCHVHNKCRP-MOPGFXCFSA-N 400.479 1.376 30 10 HDEE COC(=O)c1ccc(N2CC[C@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)c(C#N)n1 1307209493 CHURSUGTJLBWLO-HXUWFJFHSA-N 402.451 1.956 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C[C@@H](O)COc2ccccc2C#N)C1 1307445388 FXLLBKZYXNUMLV-QZTJIDSGSA-N 403.479 1.031 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1307830871 GEXGZGGYKLYTNP-QGZVFWFLSA-N 402.447 1.931 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C(=O)OC)Oc3cc(F)ccc32)c1 1307891397 QZECHAGEEMPVFK-GOSISDBHSA-N 411.389 1.896 30 10 HDEE CCOC[C@H]1CN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CCO1 1310522852 CTBWEMITRNFXNV-OAHLLOKOSA-N 408.455 1.452 30 10 HDEE C#C[C@H](NC(=O)N(C)Cc1nnc2c(=O)[nH]ccn12)c1ccc(Br)cc1 1312936095 FYAUDOKJFXPZDI-ZDUSSCGKSA-N 415.251 1.696 30 10 HDEE C#C[C@@H](NC(=O)NCCCn1ccc(O)nc1=O)c1ccc(Br)cc1 1312937946 UKKAIEHLZQYLNT-CQSZACIVSA-N 405.252 1.775 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1314638533 FCFNOXDGERSAGP-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(S(C)(=O)=O)CC2)C1 1316323436 HRGHFGNUSWHYAE-INIZCTEOSA-N 401.492 1.619 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)NCc2ccccc2)CCO1 1316540627 MYDTZZHGWPKPQA-ZWKOTPCHSA-N 410.478 1.565 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OC 1343059748 ORVVHXQIUOWGEH-HOTGVXAUSA-N 402.447 1.825 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2coc(S(C)(=O)=O)c2)c1 1356457703 HOBSINXTIOJTAV-UHFFFAOYSA-N 416.455 1.170 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)COC)c1 1358902525 QQGBRBRREUWQSU-MAUKXSAKSA-N 424.505 1.568 30 10 HDEE C#CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1358916908 AIANNMGPUPHLCS-YLJYHZDGSA-N 424.567 1.746 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1 1358985378 XKLWMUWAUJFQAQ-SFHVURJKSA-N 413.547 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N(C)C 1358985499 ABSUUGWXSHVESY-OAQYLSRUSA-N 401.511 1.260 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1CCN(C(=O)OC)CC1 1359024510 OQHFAWBYEWIOBT-GOSISDBHSA-N 419.526 1.737 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359048510 SURXCNRKFLWGQP-BEFAXECRSA-N 407.540 1.167 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1359121777 IBTRBRPLEKFTHU-KRWDZBQOSA-N 423.583 1.840 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)CC)C1CC1 1359253244 YCJKJLQHMRTART-UHFFFAOYSA-N 402.524 1.903 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CCN(C(C)=O)CC1 1359280647 ZLJLPUKVHHNRMO-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC(F)F)cc1 1360247529 AVWWLHVUNCBRAF-OAHLLOKOSA-N 420.420 1.795 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1360728516 NHLZJJOKVLVKEL-QOKNQOGYSA-N 403.508 1.870 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1436322379 JZDOZLUOENSQTG-MOPGFXCFSA-N 421.519 1.003 30 10 HDEE COCCN(C)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1441289616 NJTGCCFIPNMQNV-UHFFFAOYSA-N 409.328 1.841 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1447726562 FCIKIYKYFNVZMW-MSOLQXFVSA-N 423.535 1.091 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Cn2c(S)nnc2-c2ccc(OC)cc2)CC1 1449421672 GSRATZSYJOHVMS-UHFFFAOYSA-N 415.475 1.548 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1457963224 AFHAKZKBBKSEOL-QGZVFWFLSA-N 417.487 1.337 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1458026559 LIYHDOAQJXAUEM-ZDUSSCGKSA-N 417.453 1.586 30 10 HDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1459713255 AXKAOHWSAQBLCP-YLJYHZDGSA-N 418.513 1.842 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1464127624 IGWYVTOWDFWPPQ-UONOGXRCSA-N 423.963 1.810 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1 1466675402 HRKCULZMRYNHLQ-UHFFFAOYSA-N 400.460 1.415 30 10 HDEE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466901771 KWLJVISSEDPFFG-KEDZRVRNSA-N 421.494 1.298 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 1468621057 VCIYTRSHOXJYAT-UHFFFAOYSA-N 410.492 1.455 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CC3(CCOCC3)CO2)C1 1469729348 KYSMWUZNYIAMLP-XHSDSOJGSA-N 408.499 1.630 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnn(CC(=O)NC2CCCCC2)c1 1469876666 JDQLAXGOTSOXAG-UHFFFAOYSA-N 402.495 1.749 30 10 HDEE COc1cccc2c1OCCC[C@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1471218810 YEDAKRXGYPRGOB-OHNRDTAOSA-N 405.476 1.489 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1473256256 WVDHCUPDMINYLW-AWEZNQCLSA-N 414.480 1.107 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1473639169 XUTTZXKIIWMLLU-FCEUIQTBSA-N 419.481 1.609 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 1476354274 SJTWUWCLCYOCPQ-LLVKDONJSA-N 402.188 1.584 30 10 HDEE C=CCOc1ccccc1CNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1477913928 YJPNCQHJCKQVRO-FQEVSTJZSA-N 402.539 1.847 30 10 HDEE Cc1cc(S(=O)(=O)NCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)c(C)s1 1478250929 PAZDIJIHJRFDDM-KRWDZBQOSA-N 418.544 1.982 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C2=O)cc1 1478568226 NXGVHWUBLZAIOT-GMYLUUGSSA-N 416.425 1.269 30 10 HDEE C#C[C@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(Br)cc1 1478895974 ICURLQGDZSPXCV-HNNXBMFYSA-N 401.264 1.985 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1=O 1502303820 MHSXMMBTWHDOBI-KRWDZBQOSA-N 400.458 1.860 30 10 HDEE Cn1cnnc1Cn1c(N2CCN(c3ccccc3C#N)CC2)nnc1C(C)(C)C 1503671541 ACQRZZIBAXMMPD-UHFFFAOYSA-N 405.510 1.951 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1504602029 ZQWDYEVLXHDCHF-KDOFPFPSSA-N 400.458 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1507520687 FUCGCXVPMDARGW-ZSDSOXJFSA-N 400.479 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507540828 IRUOXDIOXHTGNZ-HIFRSBDPSA-N 422.580 1.373 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1507709912 DYHHVNCMIJNHNK-KRWDZBQOSA-N 417.535 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1507741469 UJSSWGSRCNENRJ-IAGOWNOFSA-N 417.554 1.984 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1507806528 AWAMBPCRAIHTIL-MMOPVJDHSA-N 419.526 1.190 30 10 HDEE C=C(C)Cn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507835124 LTLOCPOOGNFMSP-VQTJNVASSA-N 424.567 1.910 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1507836828 AXAKUNFBFUTLKY-VIQHNZTISA-N 409.556 1.716 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)CC(F)(F)F)C1 1508123589 NASVVRDAFLQFJJ-UONOGXRCSA-N 416.448 1.505 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2COCCO2)C1 1508129639 SGHHPXLZBCXYJG-RDGPPVDQSA-N 422.526 1.589 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1513372616 IMAXIOPYEIZQNS-RTWAWAEBSA-N 415.542 1.805 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCNS(=O)(=O)Cc3ccon3)CCCC2)cc1 1520526928 VEMVWGJXJDRPEJ-UHFFFAOYSA-N 402.476 1.594 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1528553112 UCYYRQPGNDRCCP-JLTOFOAXSA-N 419.865 1.745 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCNC(=O)OCC(F)(F)F 1532868994 ICPWXUREYYJTKF-UHFFFAOYSA-N 405.333 1.591 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1534412914 VTKUVXCUEAVWJB-VFNWGFHPSA-N 401.463 1.315 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccc(C#N)c(Cl)n3)c2)CC1 1534892763 MWMXENVPFJNZPA-UHFFFAOYSA-N 419.894 1.795 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1OC 1536346473 OALBUTPOTNHVBX-ZTNFWEORSA-N 410.430 1.378 30 10 HDEE C=CCn1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCSCC2)nn1 1536910307 KJBBNMXQURMINR-UHFFFAOYSA-N 413.550 1.193 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1539154534 PRGWMPSRNGZILB-OAQYLSRUSA-N 419.526 1.867 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1539179832 SEDMHGLKSRSIBS-INIZCTEOSA-N 403.508 1.482 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1539215459 CRIDVIAHVVKIJX-OAHLLOKOSA-N 405.549 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1539259488 CZIBZNCEPIUFII-SFHVURJKSA-N 404.474 1.052 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN(C)CCOC)CC1 1539481376 MFHDRADUGMBRHA-UHFFFAOYSA-N 402.543 1.090 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)CC1 1539590033 BVBUBBLUDYXGQL-RYUDHWBXSA-N 411.384 1.387 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1540005475 LQOLBDJRSCYCEX-TWMKSMIVSA-N 409.556 1.812 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1540027258 UJLCVCNVNFAFEU-UHFFFAOYSA-N 406.512 1.014 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1540049535 NKYOMPAGLOIKCR-FQEVSTJZSA-N 403.483 1.850 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCO2 1540189340 PUPDMGNQRQHEMI-UHFFFAOYSA-N 401.467 1.832 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC2CC2)C1 1540862116 RJGRSIXKDGQMQY-INIZCTEOSA-N 404.515 1.114 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccn2)CC1 1540916423 XANYKMDPTMWLIX-HNNXBMFYSA-N 414.539 1.265 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1541799896 OVPUWFKASVIZDM-SJCJKPOMSA-N 424.914 1.281 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3cnn(CCC#N)c3C)C2=O)c1 1543606041 PTJZFIMZKUHSPZ-LJQANCHMSA-N 411.462 2.000 30 10 HDEE CC(C)(C)OC(=O)N1c2cc(O)ccc2C[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1545534234 ATHFBFUURNZZFG-KRWDZBQOSA-N 414.462 1.643 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cs1 1554586070 AFDPJWSNYGQNIA-UMVBOHGHSA-N 404.496 1.723 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1555492306 KNUFFHXNPKOSHN-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE C#C[C@H]1CCCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1557237397 CJOGSSVYDYSQQZ-KRWDZBQOSA-N 414.531 1.941 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1557363638 RJTNSDNAKSHGIG-ZDUSSCGKSA-N 407.264 1.716 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1559900164 XBRARHIODMHZQR-MRXNPFEDSA-N 421.519 1.142 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(C(C)(C)C(=O)OCC)c2)n1 1562478120 SEONIPONRUPONO-UHFFFAOYSA-N 416.482 1.692 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CCN3C3CCOCC3)C2=O)cc1 1564547325 LEACPMFIDLAYJZ-WOJBJXKFSA-N 411.506 1.606 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](N4CCC4)[C@H](F)C3)C2=O)cc1 1568543228 DWBMRMKKZFNUMQ-KZNAEPCWSA-N 413.453 1.408 30 10 HDEE C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1584786947 FTINMAAEPIPUOK-JTSKRJEESA-N 404.426 1.960 30 10 HDEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1585314643 JUBLKXNUTRJVMV-QGZVFWFLSA-N 423.498 1.559 30 10 HDEE CCOC(=O)C1=CC[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1586293208 ITIFVPSZFYPQCV-NVXWUHKLSA-N 410.430 1.531 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(C#N)c(Cl)n2)ccc1OC 1586487459 FMSHASSDODZUBX-UHFFFAOYSA-N 424.866 1.792 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1587783495 RDPMPLCJUYWKGC-INIZCTEOSA-N 402.499 1.481 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@H](n3cnc(C(N)=O)n3)C2)cc1 1595608129 PKAXXOLMVJOFRI-KRWDZBQOSA-N 422.493 1.732 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595789597 XNIDXQFHYGXBLP-UHFFFAOYSA-N 414.491 1.291 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(CC(=O)NC)CC2)nnc1C(C)(C)C 1595831563 SEGFEIJCEZIBHC-UHFFFAOYSA-N 411.572 1.529 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1596849186 FRBJAJZFKOXDAM-CFJPQMKISA-N 420.564 1.777 30 10 HDEE CN1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1597305548 JQZCHWPVXMYKJO-KRWDZBQOSA-N 406.552 1.742 30 10 HDEE CN(C)Cc1csc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 1598060953 WZBFZXVDUPZNNV-UHFFFAOYSA-N 407.521 1.327 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CCO1 1618690267 NWPQXLWSHXSXRE-GOSISDBHSA-N 412.494 1.583 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1619539211 HILRJBSOPGYVQQ-SVMVAKDDSA-N 424.505 1.570 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1)OC 1619595654 AOGVRCHCXZVMFH-KRWDZBQOSA-N 408.466 1.398 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1csc(C)n1 1620110851 CTXUJNDVFFTABV-UAGQMJEPSA-N 418.523 1.739 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCC(=O)Nc1ccc(C#N)cc1 1620428465 LGVNVPDHMKSGER-NRFANRHFSA-N 418.494 1.475 30 10 HDEE CO[C@@H]1CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@H]1O 1624178619 PHFKJPAMHRSJLF-KURKYZTESA-N 401.463 1.611 30 10 HDEE O=C(NCCNS(=O)(=O)c1ccc(Cl)cc1F)c1cccc(C#CCO)c1 1625856105 VRRKFMZYCJJMGL-UHFFFAOYSA-N 410.854 1.531 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1626032696 DNAUFNZIKCKPSY-OAQYLSRUSA-N 407.511 1.127 30 10 HDEE C[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1C(=O)OC(C)(C)C 1627434582 WQRSOAWJBCRBST-HIFRSBDPSA-N 421.519 1.551 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(C#N)c(OC)c2)c1 1628375914 RLJXAJNMXHZMPG-LBPRGKRZSA-N 416.459 1.232 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](CC#N)c2ccccc2)c1 1628423610 HRTVVZMZMXFRRR-IBGZPJMESA-N 401.488 1.925 30 10 HDEE N#Cc1ccc(CC(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cn1 1633193752 RUVYNBOHNZACEJ-UHFFFAOYSA-N 420.454 1.676 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)nc1=N 1633934538 CHELLHQXVJOSLL-UHFFFAOYSA-N 416.526 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3cnccc3C#N)CC2)C1 1636778465 VTWRAHDSUXXUOX-OAQYLSRUSA-N 415.494 1.628 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 1637662934 KNZOFUADPRITHS-CJNGLKHVSA-N 420.288 1.970 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 1638216945 FUTDOCMUWCGUBJ-OAQYLSRUSA-N 422.526 1.183 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C[C@@H](C)O)C3CC3)nnc12 1638860200 LOFWGKHEOVSWQP-CYBMUJFWSA-N 413.503 1.694 30 10 HDEE CCOC(=O)Cc1cnc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 1642951712 CYSYLYZJFPPEGT-LLVKDONJSA-N 422.488 1.426 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)F)CC1 1643372378 IRUHZYAYACVXBE-UHFFFAOYSA-N 423.445 1.035 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCCN(CC(=O)N(C)C)CC1 1648330588 JTXMVJHUYXLKOB-GOSISDBHSA-N 415.538 1.426 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1648415799 OIDNACLRWXBMLH-JXFKEZNVSA-N 413.503 1.298 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)OCc2ccccc2)cc1 1648939227 KJHNSKKOVRPOMB-UHFFFAOYSA-N 415.471 1.254 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1655142421 ZBDDIZCKMNKMJI-RBUKOAKNSA-N 412.563 1.898 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1656632442 UTQDTSVWCLZQRW-OAHLLOKOSA-N 402.538 1.467 30 10 HDEE COC[C@@](C)(CC(=O)OC)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1657643473 QFJIYGVDLCMDRU-GOSISDBHSA-N 400.397 1.731 30 10 HDEE C#CCN(CC1CC1)[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1657834787 UTVKQLXLYUZNNY-GOSISDBHSA-N 403.548 1.562 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1Br 1661296172 GLGVFXNWRWLQSO-QMMMGPOBSA-N 411.274 1.173 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1 1663238382 NQCPAHDODDNQHE-IBGZPJMESA-N 414.483 1.765 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(I)c2)CC1 1665160115 TVNMRQPGOIMUTO-UHFFFAOYSA-N 405.257 1.830 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3c(nnn3C)C2)cc1 1667955821 FVUZTOLPSNMTDG-AWEZNQCLSA-N 404.496 1.301 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 1670063089 RIMUYOVQBSJTNQ-DZGCQCFKSA-N 404.492 1.037 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(F)c(Br)cc2OC)C1 1671459429 RARVHNIGSQRPEY-NSHDSACASA-N 405.289 1.973 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1675013955 FJRCINNRXDCFRZ-GBRVTDDUSA-N 423.466 1.171 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)C1CCOCC1 1675294590 KRFHIYHFQXQPLR-RTWAWAEBSA-N 401.507 1.796 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC[C@@H](C(F)(F)F)O3)CC2)c1C#N 1675808957 NQSKNTCFWZAXEV-HIFRSBDPSA-N 414.432 1.932 30 10 HDEE C#CCN(C(=O)NC[C@@H](CN(C)C)OCC)C1CCN(C(=O)OC(C)(C)C)CC1 1683986512 NEJRSLCZYHOLBD-SFHVURJKSA-N 410.559 1.997 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1689948283 UZIQUIQVOFQGMG-IBGZPJMESA-N 410.540 1.357 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1690063968 WARNNZZJXQQWMW-UHFFFAOYSA-N 417.535 1.580 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO 1690081695 VCGZGZUIYPARCF-SFHVURJKSA-N 402.568 1.940 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1690102535 NYKNBVQZDRPHOX-MRXNPFEDSA-N 420.583 1.143 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CC)s1 1690104478 XWOLROZWWUBIPW-OAHLLOKOSA-N 422.576 1.938 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCCCCC2)CC1 1690124376 KFBZWFBVRGTOQL-FQEVSTJZSA-N 400.571 1.803 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690169452 CFBUXZXUBAGOHZ-FQEVSTJZSA-N 416.551 1.819 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)OC[C@H]2C1 1690666846 ILWFWYXDMQLGGG-CYBMUJFWSA-N 416.869 1.542 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1690671368 UPSSOXMCTAAHTK-CABCVRRESA-N 420.514 1.188 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccoc2)C[C@H]1O 1697065807 PUFOKEQQUPADNX-QZTJIDSGSA-N 407.430 1.818 30 10 HDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1698215892 WBJIOUMNVDYAKG-KDURUIRLSA-N 413.478 1.821 30 10 HDEE CCN(CCC#N)C(=O)CNCC[C@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1698922282 NAXUWXBZLWLHNU-KKEPMVJESA-N 402.539 1.533 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCCC1=O 1705547429 SBHBRXCFVLYAAH-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc([C@@H]2CCOC2)cn1 1705559318 XSPITRFOJRBKFY-AOIWGVFYSA-N 414.510 1.472 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1705614977 CTJUGOHCEWXLSU-UHFFFAOYSA-N 405.499 1.503 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1cccc(C)c1 1705620743 FCUDYUNUERLKKF-UHFFFAOYSA-N 411.506 1.988 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1705661659 HITBAJOYDJLVRY-OAHLLOKOSA-N 420.564 1.016 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1705728956 FQXWEWJTOCQIRJ-UHFFFAOYSA-N 413.482 1.220 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CC2(O)CCN(C(C)C)CC2)C1 1705929536 SGIWIQJJMUBXQZ-SFHVURJKSA-N 407.559 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705930225 ITWUFUAQEYXSHI-AWEZNQCLSA-N 404.558 1.016 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1707294414 UQMWNZRARUJGCA-LRDDRELGSA-N 412.516 1.749 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1708919019 BPVRAPSNFAOXIC-SJLPKXTDSA-N 415.519 1.671 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)C1CC1 1711203795 MXIPTSRSEILTAY-HXUWFJFHSA-N 417.535 1.849 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1722294398 HADFNIDBHNDDFX-BHYGNILZSA-N 400.504 1.642 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1722362697 OAVKBKJKAVRWEL-LJQANCHMSA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(C(=O)N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365079 CNNFFWZFUGNTIT-MRXNPFEDSA-N 421.567 1.116 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(N(C)C)CCCC2)CC1 1722429326 KDJDFFHTELXIKO-UHFFFAOYSA-N 413.570 1.144 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2ncn(C)n2)CC1 1722430712 IHWGIAMDGCFHDP-LJQANCHMSA-N 404.522 1.752 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722471118 SFZFVLYRIWFDLB-UXHICEINSA-N 400.504 1.487 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OC)C1 1722510301 SSOOJNVMKFICTC-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1722523190 GBACEKSYNZNXEF-HNNXBMFYSA-N 412.581 1.859 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC)C1 1722725891 SWOMCDOHJSRLAE-MRXNPFEDSA-N 409.556 1.741 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N(C)C 1722869290 HQMMLOBANKLHBS-CYBMUJFWSA-N 403.512 1.344 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1COCCO1 1723307543 FVTRZSSMEWQEKP-QGZVFWFLSA-N 412.494 1.817 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1728795658 RIAXRAQYYKVZQH-RRQGHBQHSA-N 415.416 1.796 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)C[C@H]1O 1729782700 JZLBKYKNKHKSOP-SJLPKXTDSA-N 407.430 1.818 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1730402075 CBZQOKAVLDTBRQ-SJORKVTESA-N 402.499 1.306 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1csc(C)n1 1740688273 OIFABFHTNJOMAK-UHFFFAOYSA-N 402.524 1.494 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC(CC#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1741187221 YRMTUWYAPQBDMM-HNNXBMFYSA-N 401.515 1.985 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1741293058 IZJHJAKCAOHFIA-MSOLQXFVSA-N 421.505 1.304 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1741802854 LRSWZZMSDDOPMU-PMPSAXMXSA-N 417.539 1.378 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)c1 1742223024 CUEOADJBWLWDHW-KXBFYZLASA-N 420.514 1.995 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1C 1742254890 WYIALOKLVTUXFN-SJORKVTESA-N 423.477 1.155 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748764275 JOBKSPTWCVWCCM-QGZVFWFLSA-N 402.499 1.117 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2C/C=C\CC)CC1 1748986645 FJEOKPUONMMAPH-TWGQIWQCSA-N 417.517 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2OCC[C@H]2C)CC1 1749016740 MQKJXLLECJFILU-YLJYHZDGSA-N 422.533 1.655 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCSCC1 1749026229 IOTYMHXLJBFBKI-UHFFFAOYSA-N 412.548 1.840 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@H]1C 1749038890 YPWJKWUNLFUTKT-QLFBSQMISA-N 414.622 1.877 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749454481 ICBPIMPYFDKDHW-UHFFFAOYSA-N 403.527 1.823 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1749486678 CQSNYGHIJOTYBW-AWEZNQCLSA-N 400.874 1.790 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1749708243 IVRIVLDJJFJYDA-QWRGUYRKSA-N 420.258 1.998 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(F)(F)F)cs1 1760162593 BHPKRUXBTYWPOU-VIFPVBQESA-N 422.458 1.481 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOCC(F)(F)C(F)F 1760192960 PWTAPQNCSJEHDK-UHFFFAOYSA-N 415.391 1.504 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)OC)CC1 1760402094 GWTSHUAJPCCPIZ-HOCLYGCPSA-N 413.544 1.048 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1760691093 JBXKRHZCURTFPA-HNNXBMFYSA-N 419.555 1.997 30 10 HDEE CCO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1765800428 AOZLKFDKDOQCIV-FGTMMUONSA-N 410.478 1.736 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1767543759 IAHCELRXGYPLLL-QFIPXVFZSA-N 421.505 1.448 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1768041480 DOTKGEKIGLTYEY-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE N#C[C@H]1CN(c2nnc(CCCc3ccccc3)n2CCCn2cnnn2)CCO1 1770750928 AGBNUEQSCJDUPS-SFHVURJKSA-N 407.482 1.259 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1770752208 SWDCSGIVASJHEA-DLBZAZTESA-N 402.499 1.184 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCN1CCOCC1(C)C 1771111345 HZLGPLGVLRQTJV-UHFFFAOYSA-N 415.542 1.761 30 10 HDEE Cc1noc(-c2cccnc2-n2cnc(C(=O)NCC#CCN3CCCCC3)c2)n1 1850532549 HRLMGXQZZMLEGE-UHFFFAOYSA-N 405.462 1.845 30 10 HDEE COc1cccc(-n2c(C)nn(CCCC(=O)N3CCN(CCC#N)CC3)c2=O)c1 1852276861 NXQKTMUBRUJGHY-UHFFFAOYSA-N 412.494 1.189 30 10 HDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 1854086354 NKRXQMMFOBLZIK-AEFFLSMTSA-N 403.504 1.444 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cncc(N(C)C)c2)C1=O 1854225173 URFISFSRIXIRSL-OALUTQOASA-N 413.522 1.388 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCN([C@@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854997815 HTXKXHLVWFQGRF-FUHWJXTLSA-N 408.506 1.694 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)C2CN(c3ncc(F)cn3)C2)C1=O 1855424939 VPSZWFUEBKQFPX-AWEZNQCLSA-N 408.437 1.981 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC[C@H](Oc4ncccn4)C3)CC2=O)c1 1855729161 DTWMPEBBPZPMRG-MJGOQNOKSA-N 405.458 1.880 30 10 HDEE COc1ccc2sc(N3CC(C(=O)N4CCN(CCC#N)[C@H](C)C4=O)C3)nc2c1 1856193474 PBXLQXHBWHCDFU-CYBMUJFWSA-N 413.503 1.714 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C(=O)C1 1856408528 RSMSVPDCWKDDQU-KRWDZBQOSA-N 405.520 1.745 30 10 HDEE N#CCCN1CCN(C(=O)CN2C(=O)COc3ccccc32)C(=O)C12CCCCC2 1856628040 CUBBROFCFIIMSH-UHFFFAOYSA-N 410.474 1.699 30 10 HDEE CC(=O)[C@H](C)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1857138945 QXGORXURSGLIRR-YOEHRIQHSA-N 416.909 1.742 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)C[C@@H]3CCCCO3)C2)C1 1857460797 FEAZGUSOAHWKRW-IRXDYDNUSA-N 412.490 1.741 30 10 HDEE C=CCNC(=O)Nc1ncccc1OCC(=O)NS(=O)(=O)c1ccc(C)cc1 1858792607 SWCDBWUZCZNWOZ-UHFFFAOYSA-N 404.448 1.581 30 10 HDEE C=CCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861507631 KHOYTMIVMWSZSK-AWEZNQCLSA-N 421.453 1.912 30 10 HDEE C=CCNC1=C(c2ccccc2[N+](=O)[O-])C(=O)N(CCCN2CCOCC2)C1=O 1863595122 WCVVTBCQNCZFCU-UHFFFAOYSA-N 400.435 1.173 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CC)nn2C 1864323954 UUHUTAVNHXYNLO-KRWDZBQOSA-N 412.490 1.741 30 10 HDEE Cc1nnc([C@H](CC(=O)N[C@H](CO)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)o1 1867031065 FIAPHOOUMLIRSV-RTBURBONSA-N 419.441 1.888 30 10 HDEE N#Cc1ccc(COc2cn(Cc3ccco3)c(CN(CCO)CCO)cc2=O)cc1 1870349294 HYBQDRXKVAGEBU-UHFFFAOYSA-N 423.469 1.727 30 10 HDEE C#CCOc1cn(CCO)c(CN2CCN(C/C=C/c3ccccc3)CC2)cc1=O 1870561389 LHVVDGUMYHQAKA-RMKNXTFCSA-N 407.514 1.684 30 10 HDEE C[C@@H](NC(=O)CSc1nncn1/N=C/c1cnc(N(C)C)nc1)c1ccccc1 1873505466 PECIQMODPHKDRI-YTRQYYDFSA-N 410.507 1.986 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874339392 UYIRBWWVCXETEZ-VDLQQMNMSA-N 405.480 1.380 30 10 HDEE COc1cc(Br)cc(/C=N/n2c(S)nnc2CNC(C)=O)c1OC 1874560080 FWNYOKHMRKFIFW-UBKPWBPPSA-N 414.285 1.865 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985177860 DEQGXVQWRFRNTI-RTBURBONSA-N 416.522 1.889 30 10 HDEE C#CCN1CC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1994294037 KCCDRZPHWBVWGE-FQEVSTJZSA-N 414.550 1.837 30 10 HDEE N#Cc1cccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074667316 NLFIINMWZQSNRI-QGZVFWFLSA-N 402.428 1.853 30 10 HDEE C=CCNC(=O)[C@@H](C)[S@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074681556 UIYOIXPKOFVGCX-JRJBARMQSA-N 410.492 1.584 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(N)(=O)=O)ccc1Cl 2124707305 CRZUSUFMWYYJOK-GFCCVEGCSA-N 401.872 1.843 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)[C@@H](C)S(C)(=O)=O 2157043570 LUOZNOHMIHEUIJ-GFCCVEGCSA-N 401.359 1.747 30 10 HDEE C[C@@](CC(F)(F)F)(NC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)C(=O)O 2180580459 DMGUCHQFDBUMTI-YUMQZZPRSA-N 406.201 1.898 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@](CO)(C(F)(F)F)C1)C(F)(F)F 2180827294 DPPAQVKGHQIBMI-DTWKUNHWSA-N 404.229 1.759 30 10 HDEE C[C@H](NS(=O)(=O)C1CCOCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186632981 YMSVSPRUXOISJS-NSHDSACASA-N 402.347 1.602 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778496 CSTYUXKJMJRTPT-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815410 ZYMGSKGRZGUNIC-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247825246 ASQJEMSVMAQNSV-UHFFFAOYSA-N 420.319 1.885 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2247911637 XNEYABGOVLJLNW-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE Cc1c(C(=O)NCCNOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247920410 XUCHKJVXZDNEOR-UHFFFAOYSA-N 414.315 1.479 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255665483 GWFNMMCZYOATSU-LPHOPBHVSA-N 424.354 1.970 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NCC[C@H]2CCCS2(=O)=O)OC1(C)C 2282032771 KFIWFAVKQASDLE-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CN([C@@H]1CCCSC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330018 UPPSKSDSVDTOGC-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE C[C@@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282504618 RMDMQAKUEMAGAL-NEPJUHHUSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@]23CCOC3)OC1(C)C 2282504961 WSOBAICKOPKFTP-MRXNPFEDSA-N 400.331 1.137 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@]3(O)CCCOC3)sc2Cl)OC1(C)C 2282625400 UYCUZXZYCBVVHV-KRWDZBQOSA-N 401.721 1.972 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N 2282839011 XNCHFTNOXGJWFW-JSGCOSHPSA-N 400.375 1.546 30 10 HDEE CN1CCC[C@H](N(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282876747 IEORAIKJTONPJE-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2C[C@@H](CC(=O)O)C2)OC1(C)C 2284393334 JOQVXELTXHKWPW-PHIMTYICSA-N 401.315 1.579 30 10 HDEE CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284406409 XYNADYQARWYBNS-ZDUSSCGKSA-N 403.331 1.777 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCC2(O)CN(C(=O)OC(C)(C)C)C2)[nH]1 2300128301 UPOSHWAJQCMOLT-UHFFFAOYSA-N 419.331 1.505 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316807216 MKVQXPBBJUTDSI-INIZCTEOSA-N 406.504 1.801 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)O)cc1 2330742569 STPLVPOFXSZXBN-UHFFFAOYSA-N 418.479 1.113 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs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c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C 2370705354 IDSUHKVFDNYNTI-OBJOEFQTSA-N 401.359 1.827 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 11399984 IVYZPWPFEQBTTP-OAHLLOKOSA-N 415.471 1.985 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)cnn1C)N1C(=O)C(=O)c2cc(Br)ccc21 16893382 WSRKPHISJUPYRS-MRVPVSSYSA-N 402.208 1.611 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(F)cc3)n2N)cn1 59830155 ZDEQLVZADZCCGI-DNTJNYDQSA-N 415.458 1.690 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](C=O)Cc1ccccc1)C(C)C 215878258 AWIJCYLMKAQLHO-VAMGGRTRSA-N 403.523 1.604 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)CC2=O)c1 238821024 CQSGGCCLUIUZFI-APWZRJJASA-N 406.442 1.995 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c1 238895952 RAOHCRFTBUJXEG-CQSZACIVSA-N 404.448 1.598 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 238916650 SOZFALNVVRPBRT-CQSZACIVSA-N 402.432 1.367 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1F 254490417 XDTGBRSBDMCCIP-QWHCGFSZSA-N 418.443 1.821 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N(C)C(=O)NCC)c2)CC1 433498310 NSVVQVCUEIQLBZ-UHFFFAOYSA-N 402.499 1.304 30 10 HDEE C=CCn1c(Cc2noc([C@H]3CC(=O)Nc4ccccc43)n2)nnc1N1CCOCC1 445204509 AXWNTVVXPYOUKD-HNNXBMFYSA-N 421.461 1.749 30 10 HDEE C[C@](O)(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468213407 WZBJKTQVGMAKPY-NRFANRHFSA-N 413.499 1.385 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 480301174 PGYRCXPORJMJRY-ZDUSSCGKSA-N 420.470 1.771 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(=O)OC 481755024 YPKVOZIRNQBHTH-BXUZGUMPSA-N 401.385 1.769 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C(=O)OC 481769606 PVAGANVOPOJQLK-LJQANCHMSA-N 417.506 1.811 30 10 HDEE Cc1ncc(S(=O)(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1C#N 489232198 MCKGPSTWRHKWSG-MRXNPFEDSA-N 403.439 1.986 30 10 HDEE C[C@@H](NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccc(C#N)cc1F 512671832 HIPILQXVBCMTKD-MRXNPFEDSA-N 417.510 1.895 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CC1 516681882 SICZOISJPKGPMQ-CALCHBBNSA-N 416.526 1.147 30 10 HDEE Cc1csc([C@@H](C)NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 521924194 IOJCWCQSBVACCO-CJNGLKHVSA-N 411.487 1.812 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccn2)c1=O 522382292 PAYIRODBSSRNBW-UHFFFAOYSA-N 419.510 1.153 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCO1 535192523 OYJYJOOFXADKJV-DLBZAZTESA-N 406.508 1.532 30 10 HDEE COc1cc(NC(=O)[C@@H](C)n2cnc(C#N)n2)c(C(=O)N2CCCCC2)cc1OC 540792319 UKZOZDVOBRKQLD-CYBMUJFWSA-N 412.450 1.993 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1cnn(C)c1)C1(CO)CCC1 552480402 TUJOCKSZTDBPNK-HXUWFJFHSA-N 421.505 1.904 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 554292489 XYAYJKYOTGXVPR-UHFFFAOYSA-N 408.462 1.110 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 558918810 HRJNQIHJAMZRSR-OXQOHEQNSA-N 411.506 1.834 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCC(=O)NC23CCC3)c(C#N)cn1CCOC 570699584 HKGHVTYXBCDJNG-CQSZACIVSA-N 417.466 1.506 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 573146019 GKLUBQGBUSDENV-UHFFFAOYSA-N 418.400 1.235 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CCS1(=O)=O 575005516 NFSQUTVDNMXADE-INIZCTEOSA-N 415.519 1.867 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(c4cccnn4)CC3)n2C[C@@H]2CCOC2)c1 579132687 IRHRVQORYRJRFX-SFHVURJKSA-N 416.489 1.970 30 10 HDEE CON[N+](=O)CC(=O)N1[C@H](c2ccccc2)N(S(=O)(=O)c2ccccc2)C[C@H]1C 585088995 XMYIJVAKLXOLMY-DNVCBOLYSA-N 419.483 1.452 30 10 HDEE COc1ccc(S(=O)(=O)N(CC#N)c2ccc3c(c2)OCC(=O)N3C)cc1OC 586230830 IMWAIWLKROCGQM-UHFFFAOYSA-N 417.443 1.778 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)NC3CC(N4CCCCC4)C3)CC2)nc1 587654916 VAGHPCIEFFRMLZ-UHFFFAOYSA-N 410.522 1.171 30 10 HDEE CCCCn1c(=O)nc(O)c2c1nc(CN1CCN(c3ncccc3C#N)CC1)n2C 619510237 JJULKFGLBUHNHG-UHFFFAOYSA-N 422.493 1.225 30 10 HDEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 727121620 ZYSNWBJTBYXCFS-OAHLLOKOSA-N 403.508 1.912 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)ccc1F 728587198 NWJVOYBULGHWRX-UHFFFAOYSA-N 423.491 1.411 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 731213792 SKYFASSQXIYCCB-UKRRQHHQSA-N 418.437 1.885 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CCN1C1CC1 732708454 PBUUIEHFUCTTCA-HXUWFJFHSA-N 423.517 1.840 30 10 HDEE C[C@@H](NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(Cl)cc1 741340861 HIGUURHGKSXCAI-AKDSAVJFSA-N 405.838 1.977 30 10 HDEE C[C@H](OC(=O)[C@@H](NC(=O)C(C)(C)C)[C@@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745700544 BISUPCZOMXVZSN-ZETOZRRWSA-N 421.519 1.890 30 10 HDEE CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746156857 DODSPQSOZJTFSD-WNIYRAMRSA-N 412.490 1.931 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 756888480 WOSSFPBQVVXGGZ-IAGOWNOFSA-N 416.526 1.507 30 10 HDEE COCCOc1cc2c(cc1C=NNc1nccc(N3CCOCC3)n1)OCO2 762602028 DUQZDRBNHCBFAO-UHFFFAOYSA-N 401.423 1.513 30 10 HDEE C=CCNc1ncc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)s1 770107562 LBYLKIRIRCZXQN-CYBMUJFWSA-N 415.537 1.570 30 10 HDEE CN(C(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(C)(C)C#N 782401657 GTOPCSHJRPLNHQ-UHFFFAOYSA-N 410.224 1.697 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cc(-c2ccccc2)nn1C(C)(C)C 783346122 CABKLAIYGNJXKW-UHFFFAOYSA-N 418.519 1.961 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1 783587480 PVTRERXSOLZJMQ-QZTJIDSGSA-N 422.503 1.291 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3cccc(C)c3)CC2)n1 789320715 BLRVQJIACJRZAM-UHFFFAOYSA-N 409.534 1.622 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)c2cccc(S(C)(=O)=O)c2)C1=O 789916974 UXDMYDKROCKWCN-HXUWFJFHSA-N 411.439 1.612 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ncc(-c2cccnc2)s1)c1cc[nH]n1 804220883 MEXJBBMNFIVIHA-UHFFFAOYSA-N 400.420 1.851 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)OCCOC2(C#N)CCOCC2)CC1 809081826 QUALWXXTVGZWST-UHFFFAOYSA-N 402.513 1.461 30 10 HDEE C#CCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 810781447 BYTNCSAGQFGIKN-JQHSSLGASA-N 418.515 1.938 30 10 HDEE C=C(C)O[C@H]1[C@H](OCc2ccccc2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@H]1C(=O)OC 1082545005 VSOLUDYDDFATID-RFBJODPTSA-N 422.430 1.883 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3ccccc3[C@H]2C(N)=O)s1 1136813714 KUBDKSUFISMIEI-SFHVURJKSA-N 419.528 1.366 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1137575896 GUDGPSSGVDRMNG-RDJZCZTQSA-N 416.457 1.213 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1140626094 ASSTUYPNECUUCH-ZDUSSCGKSA-N 405.314 1.513 30 10 HDEE COCCCn1cc(C)c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 1141080364 MWADNWVLWLCAIF-AWEZNQCLSA-N 405.480 1.405 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccn(-c3cc(F)cc(F)c3)n2)CC1 1144027884 QYKHXNQIXRVNIL-UHFFFAOYSA-N 401.417 1.048 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)C2)C1 1152165812 LJEDLIWMFLCQLK-OAQYLSRUSA-N 412.446 1.634 30 10 HDEE C=C(C)C[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1153516531 KHFCSWWQNXDLCF-LSDHHAIUSA-N 411.499 1.516 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCO[C@H](c3noc(C4CC4)n3)C2)c1 1154152949 QMYIDBDRZKGNHW-HNNXBMFYSA-N 420.422 1.597 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(O)(Cc3ccncc3)CC2)c1 1156465058 IJROIXKKLIWVLB-UHFFFAOYSA-N 417.462 1.728 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 1183858195 SVNDVHRCIDODNF-TZMCWYRMSA-N 405.398 1.453 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](n3ccnn3)C2)cc1 1214686646 CUXOUNIBUISWJZ-MRXNPFEDSA-N 404.496 1.954 30 10 HDEE N#Cc1cccc(NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)n1 1219252357 AWGSHOWREKJQLJ-UHFFFAOYSA-N 407.402 1.770 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(=O)Nc3ccccc32)c1 1264809481 IBCWJEZSJJXUIJ-FQEVSTJZSA-N 417.465 1.986 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)c(C#N)n1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1276963399 SQMUDCZSZIGBKI-BZUJLINESA-N 419.235 1.205 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1282793333 SLRZOJLJXVOEPV-DFBDCSAJSA-N 401.507 1.241 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1286277071 WLMQHBREEZVATC-LAUBAEHRSA-N 403.527 1.253 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286335480 QLSNIQHKYVXUTM-LAUBAEHRSA-N 403.527 1.824 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393673 MEXBNPOVRWTAFX-WNRNVDISSA-N 422.551 1.081 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1COCCO1 1286423518 VKDRBPMTTMUQJC-RXVVDRJESA-N 402.495 1.197 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(F)c(F)c1 1286466473 YZCIFIODWDMFCU-QGZVFWFLSA-N 419.432 1.672 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286836133 IBBDCHZXKPQSCK-BEFAXECRSA-N 423.539 1.490 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O 1286962522 BCYFXJXTOWWWEN-CYBMUJFWSA-N 405.480 1.357 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H](O)c2cnn(C)c2)c1 1291722568 QGCKSPYWOYZPJD-YMNYDYPGSA-N 419.507 1.685 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCC(F)F 1298862369 RESSBOYHISFVRY-HNNXBMFYSA-N 405.453 1.742 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300298279 BKQUFMNTJANGMG-SJLPKXTDSA-N 410.526 1.136 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300303441 KNKOKBGJBTUPAJ-DOMZBBRYSA-N 412.885 1.626 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1300308306 AEDUHQVXVGFLDQ-IFXJQAMLSA-N 418.457 1.791 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCOCCS(C)(=O)=O 1300315017 OIPORIUGBOVBCE-CYBMUJFWSA-N 411.553 1.153 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1300382263 PGCIRRPSONFZOA-UHFFFAOYSA-N 400.527 1.811 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnn(CCOC)c1 1300440524 ZMNPWRPGTRRFOT-UHFFFAOYSA-N 410.478 1.923 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300459817 XCBVQTRLFMOLBJ-HNNXBMFYSA-N 400.483 1.106 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CC1(C(N)=O)CCOCC1 1300665498 MDMREWCZSFBQRS-UHFFFAOYSA-N 411.506 1.622 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1301568451 SLZOICLEFAPFLF-SFHVURJKSA-N 408.528 1.147 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Sc2ccc(Cl)cc2)CC1 1302921918 YWKAPVZZQJVQLI-CYBMUJFWSA-N 401.941 1.432 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1305248497 DDPLHPBHKRJSGU-AUSJPIAWSA-N 417.441 1.265 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCNC(=O)CC23CCC3)CC1 1308058172 BYJCGWUCXCTONM-INIZCTEOSA-N 401.536 1.202 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1Br)NS(=O)(=O)c1ccc(C#N)nc1 1309922370 DZRRUWFAPNUVTJ-OAHLLOKOSA-N 424.276 1.778 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncc(C(F)(F)F)cn1 1312729806 AZWGLILQVNLYFB-NSHDSACASA-N 406.372 1.577 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(-n2cccn2)c(F)c1 1312759660 PGAHVOLTNMVECY-RFUYNDQBSA-N 417.466 1.652 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1cccs1 1316208970 IFPJZIOQMKQMEA-SPYBWZPUSA-N 421.523 1.700 30 10 HDEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1318405969 FCXRBIXSRIJFLN-ZPHPHTNESA-N 410.434 1.393 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1323715967 RZNZNVQOKFUVBU-JKSUJKDBSA-N 420.487 1.427 30 10 HDEE C#CCN(C(=O)[C@@H](CCC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1352905935 WPHDBVYGWGOJAD-HZPDHXFCSA-N 400.541 1.965 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cccc(C(=O)OC)c2=O)ccc1OC 1353363938 GLLWSUAQHOFOQJ-OAHLLOKOSA-N 413.430 1.641 30 10 HDEE CC(=O)N1CCC[C@H](COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1357580720 RDMSQJQNJRNDSN-WMZOPIPTSA-N 412.446 1.565 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1358918529 YGBDPGDFCYRAOW-OALUTQOASA-N 403.527 1.864 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358946174 LSMRXMDOZMHMFU-INIZCTEOSA-N 408.428 1.981 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)NCC1CC1 1358954643 PMSWESWFSRNYGE-INIZCTEOSA-N 416.526 1.946 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1358963972 QQGAFUFBRSENDJ-GOSISDBHSA-N 405.568 1.365 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnn(C)c1 1359025671 VXYGEHGOXSEJJL-LJQANCHMSA-N 408.462 1.658 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2nccc(C(F)F)n2)CC1 1359044084 VDZUKQKDBYQDQR-UHFFFAOYSA-N 415.448 1.897 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359239924 AIGQKQMPGQUTPQ-HNNXBMFYSA-N 409.556 1.451 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)C[C@@H]1CCOC1 1359305148 UOGYOZLOKHMOHK-HNNXBMFYSA-N 403.458 1.771 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)CC)C1 1359313618 OYKWWXBRVONUSP-DYESRHJHSA-N 421.542 1.578 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1360196209 JDQWFYYCLGFSAL-OAQYLSRUSA-N 413.526 1.557 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2ccc(Br)cc2-n2cnnn2)n1 1448853672 CUFVHFAUZNPYPF-UHFFFAOYSA-N 414.267 1.917 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1455474526 RQNXNISKIHNLPU-INIZCTEOSA-N 421.519 1.994 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1455949569 FJUPKJXLEZBAKT-IRXDYDNUSA-N 419.522 1.533 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 1457963475 BYBYGSJNPUYISG-SFHVURJKSA-N 413.455 1.136 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C[C@@H]3CCCOC3)C(=O)OC)cc2C1=O 1462132466 XDSJWLGMFRGVFX-GUYCJALGSA-N 400.431 1.557 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@@H](C)c2cccc(Br)c2)CC1 1462534075 NLKSQMLMGSTOPW-CQSZACIVSA-N 400.342 1.638 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)ccc1OC 1467676811 AUCIBPSEAGPFSQ-NJSLBKSFSA-N 407.492 1.888 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c3cccnc3)cc2C1=O 1471076523 TYZKDUQDUKZQLR-MSOLQXFVSA-N 423.425 1.259 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1471718274 RNQMOSZACAYXOL-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE Cc1ccc(C(=O)N2CCN(C3CCCC3)[C@@H](C)C2)cc1S(=O)(=O)NCC#N 1471825503 KRQPESNPSMTVDJ-INIZCTEOSA-N 404.536 1.886 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1503359089 HDNRGNVTQJEHTJ-FOIQADDNSA-N 404.490 1.873 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1505047667 PLLCELAJBQGYER-SFHVURJKSA-N 422.493 1.950 30 10 HDEE CON(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1505099616 ZWMNFVVCUNLQII-VHEBQXMUSA-N 412.450 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1507531740 CVISYMYFJKJHKV-MRXNPFEDSA-N 414.510 1.576 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(=O)NCC(F)F)c1 1507549626 JFMWRSHSALBUBQ-UHFFFAOYSA-N 416.432 1.593 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507624642 CSPJUONBBUZOOL-LJQANCHMSA-N 407.584 1.868 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1507629748 PEFPELRNJHAYND-IRXDYDNUSA-N 402.520 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCc1nc2ccccc2[nH]1 1507636770 DFVPXQGMJYCLRL-UHFFFAOYSA-N 403.490 1.998 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)CC1CC1 1507645365 YEBVXIMEFTVMMW-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507647419 DUGOVPMGODOBES-KRWDZBQOSA-N 412.519 1.003 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCc2nccn2C1 1507659700 CYHHIDJJPDYTJW-MOPGFXCFSA-N 410.522 1.924 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCCC1(C)C 1507766115 YNWYXSVHFMLYNO-CDHQVMDDSA-N 423.583 1.822 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1507792202 XKCDHTMDXPEFJF-KSZLIROESA-N 418.542 1.502 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1507968206 QULALJHTOQRFOC-MRXNPFEDSA-N 405.499 1.844 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1508010107 KWNKHXDYYDBLIC-YLJYHZDGSA-N 424.567 1.932 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1508427749 RMGZDBKUAARODO-CABCVRRESA-N 418.523 1.671 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1510357061 RQGSNMGHUPXOGV-YLJYHZDGSA-N 417.441 1.530 30 10 HDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1512248952 FAVFYMOBOQSUQH-HNNXBMFYSA-N 418.523 1.609 30 10 HDEE CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1512634205 AJWVWBNKEYBDII-LSDHHAIUSA-N 412.560 1.643 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCN(C)C1 1512938043 MPUCMFKMGGSDJP-LHSJRXKWSA-N 411.510 1.393 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2csc(CC)n2)CCOC1 1516234499 YHNGUJMHXFCEEE-KXBFYZLASA-N 418.523 1.726 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1516734185 VGZVTZWJJIGXOG-UHFFFAOYSA-N 409.494 1.847 30 10 HDEE N#CC1(CC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 1518593336 CQOVNVPFCYLZRC-UHFFFAOYSA-N 403.863 1.584 30 10 HDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CCO1 1518765194 MAWHFUIFBMTFTQ-AEFFLSMTSA-N 419.457 1.565 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)C1 1521069540 NJMIPHAQXQZBOT-GOSISDBHSA-N 422.486 1.111 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc43)cc2C1=O 1526564553 BBGPWMLJLBKPCV-AWEZNQCLSA-N 410.451 1.770 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2=O)cc1Cl 1530034632 HJAXEIPBMMMXTE-IUODEOHRSA-N 402.838 1.664 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cn3cc([N+](=O)[O-])ccc3=O)c2C#N)C1 1533847536 ORIWHIDWHHZRJQ-UHFFFAOYSA-N 401.404 1.233 30 10 HDEE COc1ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1538301867 NWVYXWLVRFORLQ-CQSZACIVSA-N 421.397 1.290 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1538972435 ICPAQBHTOUBEOS-DGCLKSJQSA-N 405.300 1.783 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1539093576 ADNPILUIEPCJKU-CVEARBPZSA-N 419.555 1.419 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1539132991 SZDICNNYRWYBNA-KGLIPLIRSA-N 415.475 1.797 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 1539186510 SZQPZTNBUALWDX-LJQANCHMSA-N 410.566 1.973 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1539317834 JVKDPFPEYKEFAJ-RTBURBONSA-N 412.538 1.049 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2cccc(C)c2)CC1 1539447112 ODEQIXWPSYJETF-HXUWFJFHSA-N 422.533 1.276 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCN(CC)C2)CC1 1539476305 VAPGDOMGIMIHKM-GOSISDBHSA-N 421.549 1.648 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1540033315 DXKYMRYGQVCYSN-FXAWDEMLSA-N 416.570 1.737 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1541113720 ZBUGITGXTVAFIE-WMLDXEAASA-N 410.478 1.919 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C(C)(C)c2cc(C(F)(F)F)ccn2)CC1 1542894940 SOZHXTOBEXPDFV-UHFFFAOYSA-N 410.440 1.662 30 10 HDEE CS(=O)(=O)CCN1CCC(NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1542971870 OQPQONKXYAERGA-UHFFFAOYSA-N 403.548 1.995 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@]2(C#N)CC3CCC2CC3)cc1 1543061307 PXBNZQTZKPRDFH-MKJPBZQASA-N 405.520 1.948 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1545113948 IDDQBLMBXUKMBD-MRXNPFEDSA-N 410.478 1.291 30 10 HDEE COCCNC(=O)[C@@H]1CN(C(=O)C2CC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367689 FROKPQKHFUKYQK-KRWDZBQOSA-N 424.423 1.767 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1Cc2cncn2C1 1556699540 VGEHEURCTYMVML-CJNGLKHVSA-N 401.492 1.222 30 10 HDEE CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557659069 FGGBZLSSJBAHOK-DNVCBOLYSA-N 407.492 1.353 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1557674445 GHWRQQAHINRBPM-UHFFFAOYSA-N 415.471 1.442 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c1C#N 1558906635 KYDXXWLZHWFQLR-UHFFFAOYSA-N 418.461 1.214 30 10 HDEE C#C[C@H](NC(=O)N1CCn2ncc(I)c2C1)C1CCOCC1 1565105713 LDAZTEJDTYCZPR-ZDUSSCGKSA-N 414.247 1.441 30 10 HDEE C#CCCN1CCC(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1565988705 KRSYCXLJYRBJRA-OAQYLSRUSA-N 409.502 1.566 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 1568141641 AROKJBOYVLNGCU-PKOBYXMFSA-N 405.516 1.781 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Oc2ccc3c(c2)n(C)c(=O)n3C)s1 1568704419 LLOBIBYYJLWYRS-UHFFFAOYSA-N 421.500 1.551 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OCC 1569184793 ZTVCFLPYHOCTJK-GOSISDBHSA-N 417.487 1.932 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@](CO)(c3ccccc3)C2)c1 1569644590 LIOBYVYQMQVJQP-FQEVSTJZSA-N 402.447 1.899 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)N2CCCC2)n1 1584418736 JRSNYEIZLIIYTC-UHFFFAOYSA-N 407.525 1.544 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C)(N2CCCC2)CC1 1586688830 KUWQNZKZRNGCEP-INIZCTEOSA-N 404.536 1.702 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1587089083 SNELYUKMYFWPRQ-UHFFFAOYSA-N 406.479 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1587673818 SHZJAELTAVUDDG-LSDHHAIUSA-N 406.483 1.889 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1587804058 SZFZVSQBODTIHF-KRWDZBQOSA-N 415.542 1.650 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOC(C)C 1588138248 BAJQUCSLFQBYFI-UHFFFAOYSA-N 407.522 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCOC1 1588246032 ZKXSSFHDVTVQNH-HSZRJFAPSA-N 408.502 1.686 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(OCC(=O)N(C)C)c2)CC1 1588836953 OWPAFOHQQGFTON-UHFFFAOYSA-N 410.522 1.111 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(C(N)=O)CCCC2)CC1 1588848465 GUHGVZBOABWYAP-UHFFFAOYSA-N 424.524 1.809 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1589676166 NVYMYTKUXVKXQY-UHFFFAOYSA-N 402.421 1.481 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)[C@H]1C 1595576907 BJONHBJQNFCNLG-ZIAGYGMSSA-N 402.524 1.807 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603098 XSYOTCLWBBCVAH-UWJYYQICSA-N 420.558 1.151 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1597204587 YYTGCKXVUBAWSR-LSDHHAIUSA-N 416.544 1.361 30 10 HDEE C#CCN(CC(=O)N1CCC(C)(CN2CCN(C)CC2)CC1)C(=O)OC(C)(C)C 1611288456 JLRDYMUSKUXMBD-UHFFFAOYSA-N 406.571 1.733 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COCCO1 1611761685 OACRIGWITLMBJQ-OAGGEKHMSA-N 417.441 1.701 30 10 HDEE CCc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614050628 MAHHCJFQHXNPID-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3nnnc3O)cc2)s1 1616334004 XKAITKIHTRRYLS-UHFFFAOYSA-N 420.476 1.075 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC3(CCOCC3)C2)s1 1616827709 JFBXECTUZDSFEF-UHFFFAOYSA-N 416.590 1.880 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1617728057 CWOJPNHCQQXTFD-QGZVFWFLSA-N 415.519 1.745 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619801466 CYJHRVKRBJOOLY-STGLLQLASA-N 400.483 1.545 30 10 HDEE COCCN(Cc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1619906531 GZHHKZIEMNOLOZ-QGZVFWFLSA-N 410.434 1.988 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCOCC2)CC1 1620082578 FSDXEUTXIDVQTP-SQNIBIBYSA-N 418.542 1.605 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCOCCCO)c1 1620348984 KFBYTSAMLRNTCL-UHFFFAOYSA-N 410.478 1.027 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2cnc3c(Br)csc3c2)CC1 1622042851 GIHIUFTUVYOFLL-UHFFFAOYSA-N 400.323 1.998 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1624091049 OVMQZFIPGVZYNW-FUHWJXTLSA-N 416.275 1.850 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)n[nH]2)c1C 1624840995 MDYHUYAAVIMHAE-HXUWFJFHSA-N 403.483 1.899 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccnc(C#N)c2)C1=O 1626740778 XFPJZQBKQLSIBR-NRFANRHFSA-N 407.430 1.354 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)c1cccc(C#CCO)c1 1627223309 XJVIHURTGHKBSA-UHFFFAOYSA-N 400.500 1.788 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1ccc(F)cc1 1627743389 CJQVJQXEXDDYTF-LIRRHRJNSA-N 417.462 1.964 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 1627752007 NZCMYGXNOFVWGL-KRWDZBQOSA-N 408.520 1.456 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1628324845 UYGOIVXFJWPAAN-UHFFFAOYSA-N 414.506 1.298 30 10 HDEE CC(C)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@]1(O)CCOC1 1630826419 HUAMXWDWTLHRLU-KKSFZXQISA-N 414.462 1.057 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC#C[Si](C)(C)C 1632537759 LXMBLQIAYAKFTC-UHFFFAOYSA-N 424.595 1.717 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(CC(=O)OC)n2)s1 1634013326 HNEVWPDVIAFGAO-UHFFFAOYSA-N 409.489 1.504 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cncc(OC)c3)CC2)c1 1634662056 CXTICXWRAAKBDZ-UHFFFAOYSA-N 413.499 1.850 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)c1 1635585728 FUGDPDSLPMEFBB-ZDUSSCGKSA-N 403.386 1.276 30 10 HDEE N#C[C@@H](CO)NC(=O)Cc1ccc(I)c(Br)c1 1636605346 QVOYHNBBSSZKLE-QMMMGPOBSA-N 409.021 1.597 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636622590 KLINZVMVHSSDNV-WDEREUQCSA-N 421.338 1.164 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1)c1cc[nH]n1 1637604626 GZDLULBBLZSIOU-UHFFFAOYSA-N 422.445 1.669 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1637715315 MPULIGTYHLFIGV-FUHWJXTLSA-N 413.474 1.939 30 10 HDEE C#CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C1CSC1 1640233926 SEPCIAZWFCLKFH-UHFFFAOYSA-N 402.476 1.454 30 10 HDEE C=CCC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1640863717 LQMQUJOZUALZNH-ZIAGYGMSSA-N 400.522 1.915 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(O)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 1641856038 YNIOIKDCPHMVFH-UHFFFAOYSA-N 415.490 1.983 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@]2(CO)CCOC2)c1 1643063078 ADBVZLCMOQORPQ-QHCPKHFHSA-N 407.470 1.970 30 10 HDEE CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1645667110 ARHYAMFUHLRZPO-IXDOHACOSA-N 404.536 1.778 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(CC(N)=O)CCCCC2)s1 1646537838 HIJCEAWUPBKGPY-UHFFFAOYSA-N 413.565 1.697 30 10 HDEE Cc1cnc2c(c1)N(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCN2 1648346802 XICDAJBTFDRALX-INIZCTEOSA-N 404.430 1.925 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCN(Cc2ccccc2)CC1 1648697683 FJGRIDZSEDMIRN-UHFFFAOYSA-N 409.490 1.724 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn(-c3ccccc3)nn2)s1 1649044864 HUWWAVXLVANBOS-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)o1 1655845843 GRYSTRNQVZUYNC-UHFFFAOYSA-N 403.460 1.881 30 10 HDEE C=CCC1(O)CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 1660229747 JWKSURROJJMABY-OAQYLSRUSA-N 414.506 1.364 30 10 HDEE C=CCC[C@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1662023892 LAFDYZBBDFXAQG-HNNXBMFYSA-N 404.529 1.772 30 10 HDEE CCN(C1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1)S(C)(=O)=O 1662073180 GJESHLMHYOHIQZ-UHFFFAOYSA-N 403.501 1.440 30 10 HDEE C=CCCSCCNS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1662987598 NDCJODUEKUIQNN-QGZVFWFLSA-N 413.521 1.337 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)Nc2ccn(CCN3CCNC3=O)n2)cc1 1674522959 ULXVNDKOXGBSQM-UHFFFAOYSA-N 412.454 1.860 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682293823 XBNVWMMAIZXJTR-QRQLOZEOSA-N 405.470 1.486 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1689851922 XQAAMDLLQKXPIW-HRCADAONSA-N 402.524 1.412 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC)CC1 1690115652 NZPZMISJGYOAKU-UHFFFAOYSA-N 412.519 1.007 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2c(ccnc2O)C1 1690723017 FESWIOWKPVIUHJ-UHFFFAOYSA-N 403.508 1.810 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1694781300 PQOUIBCWOFLQNG-IERDGZPVSA-N 407.478 1.010 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1695695341 LRZOSYRTGTYSRN-GOSISDBHSA-N 404.478 1.855 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCOC2)cc1 1698489275 RGVJPZUHHOLGSK-IEBWSBKVSA-N 408.462 1.884 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705490829 RKVNKELEIFBKAI-JKSUJKDBSA-N 402.524 1.388 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1705566845 RDAUZAVUFSWZRB-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1705602729 BITAKGIYWZBMOW-UHFFFAOYSA-N 412.494 1.695 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CCC)OC 1705843661 KTQOEAWUQQMXMG-LSDHHAIUSA-N 401.533 1.048 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2nc(C)cs2)CC1 1705900291 XXMLZXNDSRSHLG-UHFFFAOYSA-N 424.534 1.734 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)CCn1cccn1 1705906127 TZJHXABIIPHAPM-UHFFFAOYSA-N 418.505 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705932196 OQJKUGQNTFNXRC-KXBFYZLASA-N 421.523 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1705934905 AJBZKEIWRQYYED-UHFFFAOYSA-N 423.583 1.526 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN(C)CC(F)(F)F 1706076578 AHYKWXDEZNUIPR-ZDUSSCGKSA-N 401.437 1.490 30 10 HDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1710805174 LOSCORPIRSUAOL-IEBWSBKVSA-N 424.505 1.870 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1cnc2c(Cl)cnn2c1 1722356532 HUEVJYPZBHFQBM-UHFFFAOYSA-N 412.885 1.409 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722366154 GBIXNSDXONLNNQ-STQMWFEESA-N 406.430 1.709 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCc1n[nH]c(C)n1 1722374877 GHAGYGCASTUIIX-UHFFFAOYSA-N 405.462 1.704 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)c1ccco1 1722386701 IFCPJUGPXUSRKD-NRFANRHFSA-N 423.498 1.843 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1cnnn1C 1722423584 IWNWZMJKCPZCFK-UHFFFAOYSA-N 402.462 1.756 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCn2nc(C)cc2C)CC1 1722440077 AZDHEPWQOULGBG-UHFFFAOYSA-N 424.553 1.059 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722519209 ORHOZYJIYYDXNF-UZLBHIALSA-N 419.551 1.871 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1722522571 WZXUXHUVOJJFPD-FHWLQOOXSA-N 415.586 1.800 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1722526336 VLAAZELPCGEJQS-VQTJNVASSA-N 418.586 1.937 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1722672048 IVYLNPIZRKIQRQ-DLBZAZTESA-N 409.556 1.079 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)[C@@H](C)C1 1722693442 NYIXLZYJDKUBLC-GJZGRUSLSA-N 417.535 1.743 30 10 HDEE CCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1727361454 FSENYSHVKBTSCK-BZSNNMDCSA-N 419.526 1.938 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730366624 BNHQEMZUGPTDBT-STGLLQLASA-N 411.466 1.415 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1740533914 VRBPCDOCYJQLIZ-KBPBESRZSA-N 421.571 1.253 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](F)COC 1740540332 YSIJCEYIOJRMTR-HIFRSBDPSA-N 422.530 1.989 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1740543911 YQLMLSUQYSAMCI-CQSZACIVSA-N 419.507 1.114 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740589467 ZTGPVCLQAGINKG-OALUTQOASA-N 413.570 1.247 30 10 HDEE C#CCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740596614 IRQXMIUVPBGGSB-SIKLNZKXSA-N 417.554 1.502 30 10 HDEE C#CCCCn1c(N2CCN([C@@H](C)C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1740596919 NBVOYZZYPAVBJX-SFHVURJKSA-N 418.586 1.652 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1740626046 VGSFNMDYDAUNCW-INIZCTEOSA-N 419.507 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)CC 1740635630 XJJSPPKKWLFNBP-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1CCN(C2CC2)CC1 1740678111 ARCHMOYBXADUHG-UHFFFAOYSA-N 402.543 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCCCCC2)CC1 1740707625 JSCDIQDPLQYHPT-UHFFFAOYSA-N 416.570 1.656 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1740722209 BJEZSCFVWPGKAD-RIFZZMRRSA-N 419.551 1.227 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1740776253 SKEBUAJBYVMTKX-JOCHJYFZSA-N 409.538 1.986 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740886522 KCPFAGSGCLRLQT-NRFANRHFSA-N 412.494 1.888 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1740927990 RKYZTLFCDQKUGY-UHFFFAOYSA-N 403.508 1.615 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1740995223 DUBPGDGOUXHWQV-OAHLLOKOSA-N 406.556 1.525 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1741003550 XBJQZWWAECXSFZ-OAHLLOKOSA-N 416.551 1.748 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1741294068 NHXCRSVTXDZHAI-QFIPXVFZSA-N 421.505 1.305 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCC2 1741796188 GBKATKMPGQMMOL-CYBMUJFWSA-N 406.454 1.250 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1741993357 IBYDEZYVCKDJJY-ZWKOTPCHSA-N 408.506 1.707 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1743782998 LCOFYALSMRLYCK-IAGOWNOFSA-N 407.515 1.733 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](C)C1 1747442513 DWUPUHGISCIYJS-GASCZTMLSA-N 402.524 1.848 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1748761132 NTDZZDTZGXSFFQ-UHFFFAOYSA-N 421.498 1.491 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC)C1 1749134975 AUYALYPFSKMGAG-UWVAXJGDSA-N 419.526 1.233 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CC(N)=O 1749142063 OCZYVMHVJFKIKD-QAGGRKNESA-N 421.542 1.683 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749269890 YJMUOZRFWBPXTQ-CQSZACIVSA-N 405.890 1.511 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCOCCS(C)(=O)=O)CC1 1749335464 PYPXJUGTMQMOAK-UHFFFAOYSA-N 407.540 1.747 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1749462311 STJXODITJLLZSD-UHFFFAOYSA-N 405.591 1.845 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)C1 1749651455 VOCDWCYGKJBTIN-CYBMUJFWSA-N 401.496 1.169 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1749667405 ZUUYXPKXUSNMBM-UHFFFAOYSA-N 414.432 1.353 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCC2)C1 1749699152 ZYLDESZBLSIJEL-NQIIRXRSSA-N 405.543 1.807 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(C)nn(C)c1C 1750009164 SQYIEZXRHFFLFI-HOTGVXAUSA-N 403.487 1.130 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccco1 1750027513 MYBHFMFRCOXOIW-RDJZCZTQSA-N 400.483 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1760100854 ZMJAZMPOITVKJJ-GCJKJVERSA-N 419.570 1.623 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(OC)CCOC1 1760166090 PWTURJYIQHFQAF-KRWDZBQOSA-N 408.300 1.921 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1C 1760241037 MPTVCTJFGLJZFL-INIZCTEOSA-N 408.441 1.185 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)c2ccccc2)CC1 1760252924 XZNRMSRGRNVOMP-HXUWFJFHSA-N 422.533 1.657 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCC[C@H]2OC)CC1 1760273471 VYLPHJBLKGTXTB-QZTJIDSGSA-N 403.527 1.596 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760356588 RHCGKGOPRGYMGK-SFHVURJKSA-N 402.543 1.491 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1)C1CC1 1760470917 HDTNPZIEVUKQAQ-LAUBAEHRSA-N 405.543 1.806 30 10 HDEE C=CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@]1(OC(C)C)CCOC1 1760513405 WXMNDOOMSYNYKO-FQEVSTJZSA-N 400.483 1.161 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC(C)(C)C)CC1 1760521173 LLECIXOROIIFGF-HNNXBMFYSA-N 404.515 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](OCC(C)C)C1 1760555542 HVLCXOPWERENOM-IRXDYDNUSA-N 412.556 1.634 30 10 HDEE C[C@@H]1N(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCOC1(C)C 1763266355 DUASOLISJSEBAQ-HNNXBMFYSA-N 422.493 1.909 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1763787053 KJJIJWBKMTZUQQ-KGLIPLIRSA-N 406.512 1.775 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1764144721 LHUOFMBUDDCMHV-FVJLSDCUSA-N 418.542 1.866 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCOCCS(C)(=O)=O 1767087777 HWFFAEQETKYGMP-UHFFFAOYSA-N 403.508 1.725 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1769286298 RUIRTVWGTFXFTF-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCC(=O)N(C)C 1770189660 QKECHFFXKQKKCA-WMZOPIPTSA-N 404.515 1.610 30 10 HDEE COc1ccc(C#CCN2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1849400910 SEILYXQOVOQGMI-UHFFFAOYSA-N 405.442 1.451 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)COc3ccc(-n4cnnn4)cc3)CC2)CC1 1849524345 JWIRMSJWZLGQIN-UHFFFAOYSA-N 423.477 1.042 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CN(C)C(=O)N1 1849855362 RFOYZXPZRJYVOU-ROUUACIJSA-N 403.479 1.062 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ccc3c(c2)CN(S(=O)(=O)CCC)CC3)CC1=O 1850205097 BGSQEIUUYUSOCB-QGZVFWFLSA-N 405.520 1.758 30 10 HDEE CS(=O)(=O)c1ccc(-c2cn3cc(C(=O)N4CCO[C@@H](C#N)C4)ccc3n2)cc1 1851485268 MPDUGBYGOSRILB-INIZCTEOSA-N 410.455 1.769 30 10 HDEE N#Cc1ccc(OCCN2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1 1852923591 CRCUFLGPCOSLMD-UHFFFAOYSA-N 400.523 1.488 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1853037847 BZBFIUPKWXKFAI-SFHVURJKSA-N 424.954 1.845 30 10 HDEE COC1CCN(CC(=O)Nc2cc(S(=O)(=O)NCCC#N)ccc2Cl)CC1 1853146077 NERRBUZUVPLAEY-UHFFFAOYSA-N 414.915 1.581 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2)C(=O)C1 1853948707 RUWPEOGCDAQRGZ-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(C4CC4)C3=O)C3(CCCC3)C2=O)ccn1 1854290093 DXWDQFUJYGBTRM-GOSISDBHSA-N 407.474 1.314 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@@H]1C 1854311012 AYVGKCXAFKQXHP-GJZGRUSLSA-N 411.549 1.394 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCC3)C2=O)cc1 1854450967 TVHLGUQLJYBXFP-GOSISDBHSA-N 415.515 1.271 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)COCc3ccccc3)CO2)cc1 1854628066 AFYPIXZDMRVCNC-KRWDZBQOSA-N 402.428 1.623 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)cc1 1854633331 OXTIVLXNSXWPSM-WOJBJXKFSA-N 406.490 1.622 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)[C@H](C2CCOCC2)C1 1855099656 XSANMDSXTKFARB-SFTDATJTSA-N 410.518 1.732 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCCN(C(=O)[C@H]4COCCO4)C3=O)CC2)cc1 1855157315 JBRUONPKYCOLRA-WOJBJXKFSA-N 413.474 1.334 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1855322796 XKXMWXWLCOKFMA-GOSISDBHSA-N 405.520 1.742 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)CC2=O)cc1 1855537415 HRKFRRKHPIZXEQ-IAGOWNOFSA-N 412.490 1.659 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)CC(F)(F)OCC)CCC2=O)CC1=O 1855590011 ASFHLGDXLSBJJW-GJZGRUSLSA-N 401.454 1.347 30 10 HDEE CCOCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1=O 1855634928 YMAPMABEWXHNCQ-KRWDZBQOSA-N 419.503 1.371 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC(Cn4cccn4)CC3)CCC2=O)ccn1 1855745288 KPSILXOSXKEYKA-SFHVURJKSA-N 406.490 1.941 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(C4C(=O)CCCC4=O)CC3)CC2=O)c1 1855799710 CFEHHBLEYSBQMQ-SFHVURJKSA-N 407.470 1.950 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)C2)cn1 1856895094 GBBXKZDYOAWSGG-IEBWSBKVSA-N 400.527 1.334 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1857356257 CZPRBJRBQHJSFF-APWZRJJASA-N 412.465 1.932 30 10 HDEE COc1ccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862558283 VQZPSECHUPDBRF-IBGZPJMESA-N 409.442 1.992 30 10 HDEE COC(=O)c1sc([C@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)nc1C 1872797811 VZOGLQJQLLRJTK-CYBMUJFWSA-N 400.464 1.027 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3C)C2)CC1 1872934742 RUAGHOJSMLHQTE-INIZCTEOSA-N 414.462 1.797 30 10 HDEE CCOC(=O)Cc1nnc(S)n(/N=C/c2c(C(=O)O)n(C)c3ccccc23)c1=O 1873495495 UOUWGABOTUUOKS-DJKKODMXSA-N 415.431 1.105 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C 1885966742 BIASTQZWWCHCHC-UONOGXRCSA-N 401.504 1.848 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CN3CCCCC3)CC2)CC1 1889263828 LWEFONMKDXHARL-UHFFFAOYSA-N 404.599 1.509 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3ccc(OC)cc3)C(=O)O2)cs1 1891215805 WNHYITADNLNEFS-CQSZACIVSA-N 416.459 1.823 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2126234431 HUYVDKUNLCGKRT-KBPBESRZSA-N 401.872 1.470 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675265 UBCPBHWXDWVDCO-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2247860430 WXCRVKLZPNCHJA-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)nn1 2248405044 ONXGLVBNLORLJQ-AWEZNQCLSA-N 419.291 1.132 30 10 HDEE Cc1nc(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248405404 UFGMVXIXWOVTBR-LBPRGKRZSA-N 422.291 1.868 30 10 HDEE C#CCN(C1CCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258174848 GLQUJXWWQSWVSV-QGZVFWFLSA-N 408.476 1.272 30 10 HDEE CC(C)(C)N(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258182851 IXXZQVYDPAXSEC-OAHLLOKOSA-N 411.480 1.710 30 10 HDEE Cc1cc(S(=O)(=O)NCCC[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267364332 XUFGNEKLTZDGQJ-XMMPIXPASA-N 407.388 1.403 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCO[C@H]3C(N)=O)c2Cl)OC1(C)C 2281945008 RAEKXHPCKDACAJ-MWLCHTKSSA-N 400.693 1.073 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3(C(F)(F)F)COC3)c2)OC1(C)C 2282333062 KAYRPLGGRXSQKU-UHFFFAOYSA-N 413.248 1.657 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)S1 2282343652 RDMLKCFMUBBQCX-TXEJJXNPSA-N 401.363 1.234 30 10 HDEE COC[C@H]1CC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501369 WGQDXCKURMDJNF-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282503428 ZWELAVLLMZIGKV-TZMCWYRMSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2C(=O)NCCCS(N)(=O)=O)OC1(C)C 2282572595 NKLORROWDAIHIZ-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CN1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282832218 LNZUIIDSGIKMKF-QWRGUYRKSA-N 418.777 1.778 30 10 HDEE CN1CCN(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282837001 RJUWGVMZTRBSJM-UHFFFAOYSA-N 421.781 1.141 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](CO)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282839572 FZPWFHWFXRAOKU-CHWSQXEVSA-N 401.359 1.747 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282862563 FFTFCYCAEUYLRQ-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H](C(=O)O)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284394834 DFFBVIGAZACAGB-JTQLQIEISA-N 401.315 1.389 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284399884 PHBQUYUZIDDTJB-VIFPVBQESA-N 403.331 1.663 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284410282 BGRQFDMYFCFJFK-JTQLQIEISA-N 421.371 1.450 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3CO[C@H]2C3)OC1(C)C 2286252772 SHPDSEIXJOPNLK-WZRBSPASSA-N 400.331 1.039 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccc[nH]1 2327874562 VCPNUSLBRKIRHU-GFCCVEGCSA-N 404.496 1.868 30 10 HDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc(OC)c1OC 2330784338 UEBIOCKTRQSTJY-UHFFFAOYSA-N 423.495 1.297 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NS(=O)(=O)CCOCCF)n2)OC1(C)C 2365580682 XKPVOGLATNCMMX-UHFFFAOYSA-N 408.688 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)[C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2367103059 UFSJWKIJANMHDD-BEFAXECRSA-N 401.525 1.923 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2367807570 VBJQFXJJUFLXLS-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE COC1CN(S(=O)(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2369957533 DTWQGUONNCZZEC-UHFFFAOYSA-N 422.765 1.366 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)[C@@H]1CCN1C(=O)OC(C)(C)C 2375784047 GTJMXUAGHQKXDV-QWQRMKEZSA-N 402.513 1.514 30 10 HDEE CCOc1cc(/C=N/NC(=S)NCCN2CCOCC2)cc(Cl)c1OC 45922274 ZFYDRKVQHGDYHC-UDWIEESQSA-N 400.932 1.878 30 10 HDEE COCCOc1ncccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 110816807 URHKAJAJUCMKET-UHFFFAOYSA-N 404.448 1.551 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1 302894040 YENCHWPRPFAFKP-UHFFFAOYSA-N 404.390 1.405 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)C(C)(C)S(C)(=O)=O 405003697 LPADXTQBDFQYIA-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2ccc(OCCN3CCCC3)cc2)C1=O 434147442 GKVNNSNABBGYBT-UHFFFAOYSA-N 414.462 1.101 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H](Oc1ccccc1C#N)C(C)C 439922177 PMWYRFQEUMALBO-LIEJCIORSA-N 414.458 1.913 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2ccc3c(c2)OCCO3)CC1 468395757 QONPOUDNYUJZBF-UHFFFAOYSA-N 402.495 1.020 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCn4c(CO)nnc4C3)c2C#N)C1 471028899 NTAGMENWVURREY-GFCCVEGCSA-N 400.508 1.673 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 472248320 BXDPRURJMMHVEL-BBRMVZONSA-N 404.540 1.196 30 10 HDEE COC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 472811296 WWSZURXLWSVTTF-INIZCTEOSA-N 418.475 1.555 30 10 HDEE Cc1nc2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2n1C 474205965 ABSPWZNNZYOAIU-UHFFFAOYSA-N 423.498 1.900 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 477483070 SPJITBYYKACDCB-UHFFFAOYSA-N 405.520 1.850 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCc2nnc3n2CCC3)CC1 478112261 UXFLFTLKRXTQMX-UHFFFAOYSA-N 422.449 1.418 30 10 HDEE CCOC(=O)c1ccc(N2CC(NS(=O)(=O)Cc3ccc(C#N)cc3F)C2)nc1 480694165 LPGNOQHUIQKHQH-UHFFFAOYSA-N 418.450 1.577 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 488269574 WEURSSBTBFQRPC-UONOGXRCSA-N 413.430 1.916 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)n(C)c1 489019693 YOXCJVAPLPZSIO-UHFFFAOYSA-N 416.503 1.831 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 490976844 WSQBPRUMXFDHED-APWZRJJASA-N 412.421 1.516 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nc(O)cc(C(F)(F)F)n2)CC1 502856206 OUYBQVQIPXYWCY-LLVKDONJSA-N 403.430 1.985 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503629048 AYAGVFCQVOEJCZ-NCXUSEDFSA-N 422.441 1.618 30 10 HDEE CCN(C1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 506332157 LZHPGBFVUWGWTJ-SFHVURJKSA-N 401.529 1.521 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)N(C)C)CC1 508893337 IYWAJJGFNFCCCK-WIYYLYMNSA-N 401.555 1.616 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 512720071 IGVKPJFKRVUSTK-HNNXBMFYSA-N 400.504 1.033 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)n1 513321823 NAMBSOHSZNJSNO-INIZCTEOSA-N 411.315 1.347 30 10 HDEE CCN1CCCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 522049228 SJTRGSGNDGOGQM-SFHVURJKSA-N 419.551 1.449 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCC(=O)Nc3ccc(F)c(F)c3)CC2)n1 546211737 BWCWMHPZSDJSFN-UHFFFAOYSA-N 414.416 1.108 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2)o1 555165331 HSJBFAAHMAUQTG-WMZOPIPTSA-N 402.495 1.755 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H](CO)c2cccnc2)cc1 562879171 CRCUMJFRYJMBIP-MRXNPFEDSA-N 404.492 1.786 30 10 HDEE COc1cc2c(cc1F)CC[C@H]2NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 573375386 CTJXJVZAGBSOEE-QGZVFWFLSA-N 403.435 1.788 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cnc21 603765450 VDFKVBPOIRTNSH-UHFFFAOYSA-N 401.386 1.828 30 10 HDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(C#N)cc2F)c1 609233682 RWINKDWFSKYTGS-UHFFFAOYSA-N 406.391 1.749 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCN(CC)C1=O 619802407 BUAXJSFLRMKVSU-ZDUSSCGKSA-N 410.268 1.835 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H]2CCCO2)C1 619853352 HELUKGTTYBRWSE-LPHOPBHVSA-N 409.429 1.542 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1[N+](=O)[O-] 732647894 MISROZNHMVQZST-HKUYNNGSSA-N 411.462 1.707 30 10 HDEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664613 RZZGJVBSNRKMKN-OALUTQOASA-N 401.486 1.992 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732675700 ZKYNWBZVQLGCBI-GOSISDBHSA-N 419.551 1.597 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 743729079 WLBKIDWZYFMWAA-CQSZACIVSA-N 417.556 1.972 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)cn1 758067293 FXMJZNZUTPJWNS-UHFFFAOYSA-N 419.422 1.546 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)CC1(C#N)CCC1)CC2 771080201 PZUXWWYBTYQNSO-UHFFFAOYSA-N 407.492 1.202 30 10 HDEE C#CCN(C(=O)Nc1cccn(Cc2ccc(C)cc2)c1=O)[C@H]1CCS(=O)(=O)C1 774051148 VXTFYPWCCSLNGD-SFHVURJKSA-N 413.499 1.859 30 10 HDEE C#CCN(C(=O)N[C@H](c1cccc(F)c1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152101 FMUOSSMBHUGHGT-IAGOWNOFSA-N 404.467 1.481 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 774517059 XYWSLLOMSDKKKO-UHFFFAOYSA-N 410.390 1.989 30 10 HDEE C[C@@H](OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)N(C)CCC#N 782419793 WQTLJOCRQXFEOM-GFCCVEGCSA-N 405.455 1.620 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@@H]2CS(N)(=O)=O)ccc1OC 785872722 LRPKGRHZOWNKNP-HUUCEWRRSA-N 410.496 1.339 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)n1 788695134 FMGQOTQIHWKQHP-UHFFFAOYSA-N 408.436 1.270 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(Cc3ccccc3)C2=O)n1 789142066 BLAQZGPLEUBMET-NRFANRHFSA-N 423.517 1.866 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)cn1 791263966 HCCNVUYYYDQJJY-UHFFFAOYSA-N 415.519 1.297 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)C(F)(F)Oc3ccccc32)CC1 794209632 GYAIZVAYWBXCJX-UHFFFAOYSA-N 413.384 1.620 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)[C@H](C#N)C1 796484478 HBRCYGUGXXCUNG-LJQANCHMSA-N 424.505 1.933 30 10 HDEE C[C@H](C(=O)OCC(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)n1cnc(C#N)n1 798748559 XUOTWBOLGDWREP-UZNLNLPZSA-N 400.439 1.049 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)=NO1 798927975 WLYORZFCZULLQP-HNNXBMFYSA-N 414.466 1.271 30 10 HDEE CNC(=O)COc1cccc(CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 810585856 LEGVWTFXLKYTQV-UHFFFAOYSA-N 401.444 1.039 30 10 HDEE CCOC(=O)c1csc(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 814436517 IXGPFTXNRXUFCF-UHFFFAOYSA-N 423.472 1.869 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)CC3(C#N)CC3)C2)CC1 815083382 OQSZEYICNMUBSW-INIZCTEOSA-N 404.511 1.998 30 10 HDEE CCn1c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc2cccnc21 817180255 IETVXSYATOSVFO-UHFFFAOYSA-N 412.475 1.909 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 837284119 DXCOIRBTZZBLAQ-UHFFFAOYSA-N 419.510 1.795 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)cc3Cl)C2)n1 856585852 AHXLHKVSVKNFIH-QGZVFWFLSA-N 410.883 1.915 30 10 HDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)cc1OC 1083895661 ZLCOEYRTZYYVJN-UHFFFAOYSA-N 403.428 1.117 30 10 HDEE Cn1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)n1 1126710699 OWLQTFZJGYEMSJ-UHFFFAOYSA-N 408.871 1.380 30 10 HDEE Cn1ncc2c(O)nc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)nc21 1131586884 HPAFOQFWRFREHW-SNVBAGLBSA-N 411.809 1.586 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1134295508 QTXKTNQHPXIGOJ-KXBFYZLASA-N 414.524 1.051 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](OC)C[C@@H]3C(=O)OC)n[nH]2)c1C 1137830015 MDLHWZTUHIWARO-RHSMWYFYSA-N 401.467 1.869 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](n2nnc(C(=O)N[C@@H](C#N)CO)c2C(F)F)C1 1140739333 HTUHDPCKFMKYSN-UWVGGRQHSA-N 400.386 1.012 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc(CN(C)C)cs2)s1 1141877406 PTQFSTPNEUTBKQ-UHFFFAOYSA-N 400.551 1.912 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(NS(C)(=O)=O)C2)cc1C 1147746264 DCANBKNYUCJLCH-UHFFFAOYSA-N 401.492 1.454 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C#N)n2C)CC12CN(C(=O)OC(C)(C)C)C2 1156987084 RQANQHRSUFOEKK-AWEZNQCLSA-N 402.451 1.379 30 10 HDEE N#C[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1157964215 UHYMDYCNGBHLJQ-HUUCEWRRSA-N 405.455 1.356 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC3CN(S(C)(=O)=O)C3)nnc12 1164475686 JIPMDAYGSKZKNK-UHFFFAOYSA-N 405.505 1.214 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1165558301 FRZCTXODMQUVEC-QGZVFWFLSA-N 420.477 1.273 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2ccccc2NC(=O)[C@@H]1C 1166311390 AHUWCVLFGCFGRE-KBPBESRZSA-N 412.471 1.594 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CCO1 1167105255 MOPLEFPCEODZNV-SFHVURJKSA-N 408.462 1.335 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 1177429714 DZLAALPIUZKBFT-GWCFXTLKSA-N 405.398 1.341 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1214095517 BSHJSHMMKDQNRI-LLVKDONJSA-N 413.443 1.796 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1226867592 RXBCFFRUFWIJRJ-HOCLYGCPSA-N 408.503 1.850 30 10 HDEE CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1235621977 HYJABPIAZGVABM-UHFFFAOYSA-N 417.466 1.528 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2nccnn2)CC1)c1ccc(Br)cc1 1252459505 RMDZGUDMJISYJD-HNNXBMFYSA-N 401.268 1.840 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1OC 1286376003 CADOQUJYXHZWJE-AWEZNQCLSA-N 408.911 1.960 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286451809 BVQRWAICKUMXSQ-NTLWEQJWSA-N 404.511 1.800 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CC(F)(F)C2)CC1 1286473883 YZQDOMBHYFYYKI-IBGZPJMESA-N 409.481 1.731 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)COCCO2)CC1 1286482804 ZVNWSRLGNXLZBY-HXUWFJFHSA-N 416.551 1.195 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1286523362 TYNMIMRUFJBYLM-RDTXWAMCSA-N 405.549 1.986 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1286583853 RTFHRXCSVYXZMC-MRXNPFEDSA-N 409.556 1.770 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 1286646327 PILCFRUSTUANMX-CYBMUJFWSA-N 408.553 1.799 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1286687061 FUWJUPHDWMODOB-INIZCTEOSA-N 424.527 1.592 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286687266 HUBFUVKKTDEMAG-HOTGVXAUSA-N 409.556 1.628 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1286753822 INZQNUYWQNFCFC-NRFANRHFSA-N 419.526 1.356 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)C(=O)NC)C1 1286804800 OIAHQDGMSXPLBS-IIBYNOLFSA-N 421.542 1.484 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1287460395 CYFVXAXSYJFUIJ-INIZCTEOSA-N 406.280 1.759 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1289437005 MKUNHFLCMZBLMK-RDTXWAMCSA-N 401.529 1.469 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)n1 1289910153 VDOZVKAOBFBVNB-AWEZNQCLSA-N 412.475 1.785 30 10 HDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)N1CCN(C)CC1 1292969011 ZPMUAIRPRFNMOU-SFUYWUKASA-N 419.570 1.525 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)CC1 1296946168 CVPFSOMGIVHSFN-UHFFFAOYSA-N 403.483 1.046 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300372926 WWSGVPHATVDMOZ-SFHVURJKSA-N 410.526 1.499 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300458237 FTCCHXXSIPNJCA-IRXDYDNUSA-N 410.526 1.742 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1300506808 ZMEGRDOMFYPUEQ-GCJKJVERSA-N 413.522 1.607 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC=C(c3cnn(C)c3)C2)ccc1F 1300608112 VLMZSUSYARMYPF-UHFFFAOYSA-N 404.467 1.953 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1300755568 XDBBHVCYMSYEEU-UHFFFAOYSA-N 401.540 1.398 30 10 HDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1300974106 CRBJOLNITXATQJ-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300983770 PISCJHPYGWNWDG-INIZCTEOSA-N 405.524 1.865 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3COCCC3(OC)OC)ccc2c1=O 1301158009 XVJBSKLQJAVKLZ-OAHLLOKOSA-N 405.476 1.379 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1301569273 USGLANRJIMEICZ-CQSZACIVSA-N 410.500 1.272 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1302335255 RQGUIBOLPPCMBD-XMTFNYHQSA-N 419.526 1.731 30 10 HDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)c1 1302563821 ZKTFYWWTJHCMRG-ZREAOVPFSA-N 412.490 1.229 30 10 HDEE CC(C)c1nnc(N(C)C[C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1302584537 HXNOYMJPCBVTAN-UHHPSXQGSA-N 402.499 1.933 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2cc(Cl)ccc2OC)CC1 1302923910 DZHWWVQNDXAFRX-UHFFFAOYSA-N 421.853 1.052 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)COc2cccc(Br)c2C#N)cn1 1303546040 GYQWZSMVTAUMEU-UHFFFAOYSA-N 424.276 1.814 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1303644431 JQZFJXAQEWKLMY-QAPCUYQASA-N 412.494 1.712 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC(F)(F)F 1305116925 GVQULACWIKOZCY-LBPRGKRZSA-N 408.384 1.958 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)CC1 1309696491 LQSGGKIWGUUWMA-UHFFFAOYSA-N 406.504 1.578 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1314390096 ITHWSIQYKBSAFP-HUUCEWRRSA-N 416.448 1.959 30 10 HDEE C[C@@H](C(=O)N1CCC(O)(c2scnc2Br)CC1)n1cnc(C#N)n1 1339843654 BSLGDCZPDWORMS-VIFPVBQESA-N 411.285 1.440 30 10 HDEE N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1353184608 JVCUZTFQCWKUKO-NSHDSACASA-N 421.422 1.563 30 10 HDEE C#CCCCn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1358935445 JBHAVSKMDFBFQL-OAQYLSRUSA-N 419.526 1.203 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1359096016 VSSKJBNXWWXSGR-JZXOWHBKSA-N 417.535 1.945 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359135728 MRRCUEMXGZIJQC-UHFFFAOYSA-N 416.570 1.568 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1359242935 YFKCGZALSGVQFB-UHFFFAOYSA-N 414.535 1.964 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359292450 PJVCHEHMDUGBLK-YWZLYKJASA-N 401.515 1.579 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCSC2(CCOCC2)C1 1359300116 UJFPEWJIHJISME-INIZCTEOSA-N 421.567 1.577 30 10 HDEE CS(=O)(=O)c1nc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c2ccccn12 1439744103 PDRDWKFDXHXHNB-KRWDZBQOSA-N 410.455 1.823 30 10 HDEE C[C@H]1CN(C[C@H]2CCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1442330822 YJRVBHGILPQQNE-OWCLPIDISA-N 423.510 1.837 30 10 HDEE CC(=O)N[C@H](C(=O)NCC1CCN(CC#N)CC1)c1cccc(Br)c1 1444002217 PWSYKYCWNRPMPK-KRWDZBQOSA-N 407.312 1.978 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1444719781 CKHMKUQMMOJLTC-FTLABTOESA-N 414.890 1.517 30 10 HDEE N#Cc1cc(NC(=O)c2cccn2CCN2CCOCC2)ccc1N1CCC(O)CC1 1446023507 MHIKIXJDNKBNEK-UHFFFAOYSA-N 423.517 1.905 30 10 HDEE COC[C@H](CCO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446074696 HUBIYWDKDBHTDK-FUHWJXTLSA-N 403.479 1.906 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)c(F)c1 1449147456 JPLWLBBUAIKBCQ-MAUKXSAKSA-N 411.437 1.497 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1451992258 RPYKBVPAPRLCSP-LSDHHAIUSA-N 407.492 1.715 30 10 HDEE C#Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1460265386 BEAUUSUDYVISON-UHFFFAOYSA-N 412.511 1.938 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCO[C@H](c4ccc(C#N)cc4)C3)cc2C1=O 1460857859 JQWYUUYXAXTQDA-IBGZPJMESA-N 404.426 1.796 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)c2cccc(C#N)c2Br)C1 1461636748 OABZVIHCPUHMTQ-DGCLKSJQSA-N 409.236 1.888 30 10 HDEE CCN(CCC(=O)OC)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1464358874 XNKGZEAZMUJGCS-UHFFFAOYSA-N 409.508 1.697 30 10 HDEE C#CCC[C@H](O)CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1467524349 SEMGKIWTUWAXJA-HNNXBMFYSA-N 420.514 1.247 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1nccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1467553439 VVYLEMZNHSACNT-CYBMUJFWSA-N 404.471 1.625 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cn(-c3cccc(OC)c3)nn2)cc1 1469468960 XUULMRLIWOJECH-UHFFFAOYSA-N 413.459 1.993 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)C1 1469535301 OUMRCPNBRYXCBF-CYBMUJFWSA-N 408.867 1.803 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](Cc1ccccc1)c1ncon1 1469602945 OUOINJQZKAQZSF-OAHLLOKOSA-N 411.443 1.208 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)C1 1469727884 CQCGSPFFXLHXEW-LTIDMASMSA-N 408.499 1.582 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)cc1 1471113324 XMCWABJFUGBQBL-UHFFFAOYSA-N 401.492 1.314 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@@H]2CC3(CCCCC3)CO2)c1=O 1473069062 CJOGJTUCRNTCBZ-INIZCTEOSA-N 403.479 1.963 30 10 HDEE COCCN1CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C(C)(C)C1 1473604503 PBINOZQANRUGKN-SFHVURJKSA-N 419.595 1.500 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1473824163 AUGHVRLBGWFXSX-LQWHRVPQSA-N 414.531 1.809 30 10 HDEE CCCCOCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1500646813 WJLWFXCPGYCTLJ-XLIONFOSSA-N 407.515 1.864 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1505135185 PTJMLXYBWDUXCX-GOSISDBHSA-N 407.471 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C1CCCCC1 1507536083 AEMISZOTFWIFSI-YRNRMSPPSA-N 408.568 1.969 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCO[C@@H]1CCOC1 1507618988 WDMLUUDZPGEKHA-OAHLLOKOSA-N 403.508 1.535 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(C)(=O)=O)cc1 1507619982 IPSAJAWANIMZDV-UHFFFAOYSA-N 409.515 1.980 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1507628237 HKDMDDUNANKISM-KRWDZBQOSA-N 417.535 1.503 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1507631090 LSYBRFCYALPTPK-QGZVFWFLSA-N 404.540 1.742 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634631 OHELWUFVAQURSI-AEFFLSMTSA-N 407.584 1.586 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507636799 DOJJSNWWPREVJZ-ARFHVFGLSA-N 410.565 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1-n1cccn1 1507657564 UEQFXCYPMPFNTC-UHFFFAOYSA-N 413.485 1.707 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@@H]1C 1507692300 QRLONJYVCXBEQH-SFHVURJKSA-N 407.522 1.697 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)N(C)C 1507701714 AEDQUFMMKVMIFF-KRWDZBQOSA-N 414.510 1.496 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1507756959 SIMLNVWYWJPJII-IBGZPJMESA-N 416.576 1.859 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1507784106 IFLJOBHSGRLCIK-CYBMUJFWSA-N 410.316 1.797 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507857354 LVDZVYNPJYPAQW-BFHYXJOUSA-N 402.879 1.115 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507967035 GKCFJURDGLBTEZ-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1508018083 LXIAIDHXYMVOKT-INIZCTEOSA-N 414.510 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1508080428 OGYMDJKCWFOIRU-OAHLLOKOSA-N 421.505 1.441 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508081812 POKUBKGUXMREOE-WMLDXEAASA-N 412.469 1.443 30 10 HDEE C[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)COCCO1 1510342212 FRGKULSETURXOG-OALUTQOASA-N 415.429 1.173 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1512908692 MONARMZLEAVBSQ-PFANNTFUSA-N 402.499 1.791 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CCO1 1517543774 HNIVWJUVMYPFAK-SFHVURJKSA-N 410.478 1.480 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1519329235 PGUWMVGJSKYJGK-OCQZMCQHSA-N 419.526 1.936 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(N)=O)c1 1519410548 SCSVZWZANRUGCU-WBAXXEDZSA-N 412.494 1.745 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1 1527701191 VTOKJMQTFSKVRJ-UHFFFAOYSA-N 424.442 1.266 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1cccc(Cl)c1 1538308877 YJZRVYLEWYVQMO-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1538987935 XWKJSBVUVRXQOG-CQSZACIVSA-N 402.886 1.700 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1539003266 BOIFJZYTWWJGLJ-LSDHHAIUSA-N 404.515 1.944 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1539052723 IOPYYZSYIOOTPT-INIZCTEOSA-N 409.556 1.699 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1539133122 UAHTXSKIBIFBOM-UHFFFAOYSA-N 410.478 1.369 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1539141500 VEAIVXRYECFQEL-FQEVSTJZSA-N 403.483 1.422 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1539220779 LMIAIHJXVKYXHZ-GJZGRUSLSA-N 405.524 1.046 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H]1C(C)C 1539296124 MGJUXEMULNNXOD-RCCFBDPRSA-N 421.567 1.412 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1539305680 LCSKHLITXMYOMI-XUTLUUPISA-N 418.457 1.836 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(=O)NCC)CCC2)CC1 1539446042 OSPNJACGRRQACL-UHFFFAOYSA-N 421.549 1.710 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539760148 WEXQFNDLFKKCGX-ARFHVFGLSA-N 400.545 1.980 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H]1CO 1540074331 XXBITULCCATPPK-DLBZAZTESA-N 411.572 1.039 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccc2c(c1)OCCO2 1540867850 JZVDBIYOPNMYGA-UHFFFAOYSA-N 422.489 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1540868977 YFGVKYWSJPBTKK-OAHLLOKOSA-N 410.478 1.580 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC(C)(C)OC[C@@H]1C 1540873153 OZXBARYFUOGKEA-INIZCTEOSA-N 423.521 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCC(F)(F)F 1540902321 HADPPGAFVZADCZ-NSHDSACASA-N 409.434 1.219 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN([C@H]3CCOC3)C2)c1 1541080206 DCNATHRNDKSCHS-QMWCZEAPSA-N 406.508 1.159 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1541803086 CDWDUFLYQRZRES-KFWWJZLASA-N 416.448 1.783 30 10 HDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(COc2ccccc2C#N)o1 1543580561 HMPSPTAMLAORHX-OAHLLOKOSA-N 419.459 1.120 30 10 HDEE COC(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1545170222 SQIAJXWPLQHMPZ-GFCCVEGCSA-N 416.459 1.002 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)[C@@H](CO)C2)n(C)n1 1548402917 ZWZPGPSRTPNOTG-OAHLLOKOSA-N 407.396 1.942 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)C1 1555986682 QVXOMNFDRCLQML-GOSISDBHSA-N 415.408 1.515 30 10 HDEE N#Cc1c[nH]nc1NC(=O)c1ccc(I)cc1-n1cnnn1 1557134841 DRBBVWMOYAUHOA-UHFFFAOYSA-N 406.147 1.114 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)NC(C)(C)c2cccc(C#N)c2)cc1OC 1557467689 JIOLTXBOOHGSFX-UHFFFAOYSA-N 417.487 1.905 30 10 HDEE N#Cc1c(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)n[nH]c1C1CC1 1557900869 GBDZDHUCJSDAJW-UHFFFAOYSA-N 401.448 1.432 30 10 HDEE N#C[C@]12CN(C(=O)CCn3c(S)nnc3-c3cccs3)C[C@H]1CS(=O)(=O)C2 1559039759 JSTGMTMRNYBRPC-MEDUHNTESA-N 423.545 1.082 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 1561149053 GPHPQDFRMZSUEC-INIZCTEOSA-N 408.501 1.769 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC 1561876271 PHYSRGAXUCKZGF-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NCC(=O)N1CCN(C)CC1 1562929191 KNRMHSZSHCODMN-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1564964856 OVBUNKXVMJTOAD-IAGOWNOFSA-N 415.471 1.468 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1565156575 LZPAUCKFVJSIOS-ZDUSSCGKSA-N 417.890 1.533 30 10 HDEE C=C[C@H](O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1566660312 JSNMZQBVPUYLET-JTQLQIEISA-N 409.327 1.281 30 10 HDEE C#CCn1cc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)cn1 1568549203 VNYMPISTEKOJKO-FQEVSTJZSA-N 401.467 1.679 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)NC2CCCCC2)CC1)C(=O)OC(C)(C)C 1585085594 UKCCLDSODLMWST-UHFFFAOYSA-N 420.554 1.450 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1585295799 MOCWQEDTRYOFMP-UZYOAWRESA-N 417.466 1.140 30 10 HDEE Cc1cc(Br)c2[nH]nc(NC(=O)Cn3cc(C#N)c(O)nc3=O)c2c1 1586200295 HZBYBEPGBXOULG-UHFFFAOYSA-N 403.196 1.407 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN2CCN(CC)CC2)c1 1587689573 LXRVZKWBCRBIEL-UHFFFAOYSA-N 423.565 1.670 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1587770351 ZVAZYMFNQSMOBE-FQEVSTJZSA-N 402.587 1.875 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccsc1)N(C)C 1587990619 ZHNKSPCZCIBEAM-HOTGVXAUSA-N 407.565 1.614 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1589070103 QMLQYOCMVKUGKQ-OALUTQOASA-N 419.595 1.697 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)C1 1595723328 VHAWFHVBKZJDPW-DLBZAZTESA-N 424.567 1.921 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1598167740 IBWMGCCRUSVQSO-RRIFGTCXSA-N 408.520 1.805 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)c1 1598636926 OVVZPUHTUBADPP-UHFFFAOYSA-N 406.426 1.928 30 10 HDEE Cn1ccnc1[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1608095586 BYSONGFRQOPTPT-LBPRGKRZSA-N 404.345 1.890 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1611641648 QLAQFHJWPHHFNO-CQSZACIVSA-N 419.507 1.123 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1611761247 GWTFWCCJVBXGGO-ZIAGYGMSSA-N 423.470 1.331 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(CC(=O)C2(NC(=O)OCc3ccccc3)CC2)c1 1613452762 WBKAXVHGTKFPOL-UHFFFAOYSA-N 409.398 1.535 30 10 HDEE CCc1cnc(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)s1 1613845722 NIOBDFPJIMQMLH-KGLIPLIRSA-N 406.512 1.798 30 10 HDEE CCOCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1617139132 OZAJIUXZMJPDHN-GWOGKKTRSA-N 418.498 1.519 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H](O)c1cccc(C#N)c1 1618805450 ZWPXVBFCAYKHPE-KRWDZBQOSA-N 404.448 1.410 30 10 HDEE COC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1619691459 CPRVFLJMGJHCKU-ZIAGYGMSSA-N 422.511 1.264 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1619879983 JLRJMNIQIGCUQP-CQSZACIVSA-N 403.487 1.180 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1scnc1C 1620025029 MTEVKBUQRMSQOP-HUUCEWRRSA-N 406.512 1.739 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCN(C2CC2)C1 1620025054 MUJGCLUKFPCOCF-NUJGCVRESA-N 404.515 1.215 30 10 HDEE CS(=O)(=O)Cc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1626928027 PGADLXRXSWFTLO-UHFFFAOYSA-N 410.448 1.920 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1627113778 ICASZEXYIOCDIX-UHFFFAOYSA-N 405.458 1.383 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC3CCN(S(N)(=O)=O)CC3)cc2)nc1 1634221904 AHUKPHNDRMXYPU-UHFFFAOYSA-N 401.448 1.143 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(N)c1 1634588715 OSHHQJUHWCYXFR-GOSISDBHSA-N 412.471 1.075 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)cn1 1634631059 KAIQDWIWXGGLOL-LLVKDONJSA-N 415.247 1.580 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1634725520 YOUXADODAVDBIC-YGRLFVJLSA-N 407.282 1.831 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN([C@H](C(N)=O)c3ccccc3)CC1)C2 1637884797 BKXYSUXQPHKJNM-RTWAWAEBSA-N 403.486 1.579 30 10 HDEE CN1CCC2(CC1)CN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)CCO2 1638832117 XEMODYMRYKJYGK-MRXNPFEDSA-N 416.909 1.888 30 10 HDEE NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1640380081 ALVAOUTZEYOIAT-PMACEKPBSA-N 413.518 1.448 30 10 HDEE CN1CC2(CN(C(=O)C3CN(c4ccc(Br)cc4C#N)C3)C2)OC1=O 1643037357 MPNRPIDTIFDEGQ-UHFFFAOYSA-N 405.252 1.420 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)NC(=O)NC4=O)c2C#N)C1 1645173171 CRWOZMMOTLQEEB-LBPRGKRZSA-N 415.519 1.747 30 10 HDEE C#CCOCCN(C)C(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1648263960 CCUQAGKCWOFXOC-LJQANCHMSA-N 424.519 1.259 30 10 HDEE N#C[C@]12CN(CCC(=O)Nc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1648500899 VCOWGZQZCQFDIU-BLLLJJGKSA-N 412.309 1.648 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c(=O)c1C#N 1648749949 HCCUYCAYVXEBDP-LBPRGKRZSA-N 409.284 1.674 30 10 HDEE COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1656497597 HGIKTVNZTJKOME-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CC(N)=O)n(-c2cccc(F)c2)c1C 1659041985 AHHPKGWPXKMVBJ-QGZVFWFLSA-N 413.453 1.620 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)C1 1664135282 LDJNQACYDKYSEE-GFCCVEGCSA-N 401.435 1.572 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C1CCOCC1 1664579723 GCLFDZAOSJEEKI-LLVKDONJSA-N 414.281 1.738 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)c1C#N 1683970489 FJCVHRSIBNHFEP-HKUYNNGSSA-N 410.526 1.577 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(F)c3)CC2)C1 1685177078 KOWSHARJUOZAQM-PXNSSMCTSA-N 415.513 1.578 30 10 HDEE C[C@H]1CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCN1S(C)(=O)=O 1687235392 BUCSNRZPZPKPHZ-HNNXBMFYSA-N 405.524 1.202 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1689865174 PDYMKIFXPBXOGE-BBRMVZONSA-N 414.441 1.442 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1ccnc(-n2cccn2)c1 1690100154 YXSDLMNLUFKSOX-UHFFFAOYSA-N 402.462 1.988 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690507342 KDJQGAIPXNXOTM-HOTGVXAUSA-N 402.499 1.023 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O)C1CC1 1690536671 CRQOILJHBUVDMS-AWEZNQCLSA-N 420.539 1.099 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(N)=O)CC1 1690682003 ABXZMNNEUVIKJX-UHFFFAOYSA-N 421.505 1.993 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1691008682 KUUBQTPDKRRZHF-YJYMSZOUSA-N 415.523 1.344 30 10 HDEE C[C@@H]1N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCOC1(C)C 1693867474 WJEMTVMZIJBZQT-HNNXBMFYSA-N 407.482 1.897 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)O1 1694425836 DKWZSHYIDOUSJZ-ATNYBXOESA-N 412.560 1.974 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCN2CCOCC2)CC1=O 1696879916 AJWNEFZHHYURSG-UHFFFAOYSA-N 423.521 1.208 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697116622 FHJFPLLMNYRQKJ-HOTGVXAUSA-N 421.509 1.695 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CCC1 1705544875 HBZKZVZMMJPWSR-HHHXNRCGSA-N 420.560 1.719 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C1CC1)N(C)C 1705550581 NWTYGLAOFAEGRB-KRWDZBQOSA-N 415.567 1.648 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1([S@](C)=O)CCC1 1705630407 SIPCBNVKPYEFNR-LJAQVGFWSA-N 418.567 1.527 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](COc2ccccc2)C1 1705903115 QNFOXSHCMXDREO-ROUUACIJSA-N 411.506 1.990 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1712454062 HBUKAMRLPLPMSF-KRWDZBQOSA-N 418.523 1.184 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1722296608 SNLBODQWXYWVIP-CVEARBPZSA-N 411.572 1.751 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1722365901 FVBMKAWUQBRCSQ-MRXNPFEDSA-N 402.524 1.263 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722436168 YQPDUOMONQAFHE-LJQANCHMSA-N 417.517 1.487 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSC 1722516674 CORMFOCZEPAJPL-OAHLLOKOSA-N 417.601 1.767 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722600958 SSIKGJXPFQUENH-CABCVRRESA-N 401.471 1.855 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Cn2ccnn2)CC1 1722696726 ACAAJSVIGYCOMA-UHFFFAOYSA-N 407.482 1.150 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCSC2)C1 1722708719 CBHJUJRYUWEUJB-OXQOHEQNSA-N 423.583 1.846 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CCO1 1730585587 CEHZRPLPWFGOBI-IBGZPJMESA-N 407.478 1.759 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730975557 MLZPGQYYWNUICA-IGGDJGDASA-N 408.462 1.697 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOCC(F)F)CCN1C1CC1 1731188448 FSTDTUQMXIETPQ-ZBFHGGJFSA-N 410.469 1.630 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(=O)N(C)C(C)C)CC1 1740395749 NPLVUSJBYMKJFT-DZVNLGKHSA-N 403.523 1.473 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740594184 DTWWPNQUYXSSTQ-KRWDZBQOSA-N 400.527 1.555 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740632938 YLYHLXLCABOVDH-QFIPXVFZSA-N 415.538 1.554 30 10 HDEE C#CCSCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723219 OACUSXWMUPCRAT-QFBILLFUSA-N 405.524 1.414 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)C[C@@H]1CCCO1 1740989956 DIDVQSJHJBHXCI-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)CCCO1 1743243741 DHKWCNCCDNPUHY-MRXNPFEDSA-N 424.505 1.714 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)Br 1747194555 IGAPKVOTPXDVEQ-GFCCVEGCSA-N 419.274 1.979 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748746010 XKDUTWLTUYXAGQ-YLJYHZDGSA-N 424.553 1.081 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812141 QTTQHZNCLBDPMG-IAGOWNOFSA-N 418.567 1.630 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1748825854 GZZRERSRYARSRL-CABCVRRESA-N 409.581 1.493 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2=CCCOC2)CC1 1748978981 SKHUHLQJMTVSME-JOCHJYFZSA-N 415.538 1.421 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749109495 NTUPOBWVLVEPPV-QGZVFWFLSA-N 423.315 1.026 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCS(C)(=O)=O 1749181585 NJISHOQFIHQDER-UHFFFAOYSA-N 416.511 1.368 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1749198648 PPPCTSKAZRCNLD-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1749259003 IICDUYRLVUZDTF-UHFFFAOYSA-N 421.461 1.584 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749260973 ZDLQEWPTQGXVMW-UHFFFAOYSA-N 417.901 1.266 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749396606 BPANWHSVGHNTOI-UHFFFAOYSA-N 424.509 1.019 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749677419 YULISYBEBLMGTF-QHCPKHFHSA-N 422.533 1.615 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1750087560 AVBARYLIBLXVKR-UONOGXRCSA-N 403.508 1.599 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)n1 1751623071 CMCIFNYCGFBHJR-OAHLLOKOSA-N 416.507 1.345 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1760104581 AZYVLTVSPOKKNA-CYBMUJFWSA-N 400.874 1.626 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760190186 TZZSDSCLQUVPMZ-SOLBZPMBSA-N 416.551 1.742 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1760191042 ZUHXIJMVNAJNRE-GOSISDBHSA-N 414.531 1.806 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)N(C)C 1760287942 KPTOLIPEJOOHQN-LJQANCHMSA-N 424.571 1.080 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760312281 RVCKLTATJZOLQS-UKRRQHHQSA-N 414.348 1.880 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760356967 ALWJBAPTYAVMMX-RTBURBONSA-N 416.526 1.867 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1760518759 GFYHXKUHGYKUKO-HNNXBMFYSA-N 413.482 1.189 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC(C)(OC)C1 1760557067 ZJKGJTWUHMHMHG-UHFFFAOYSA-N 411.553 1.460 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1761274093 LBKCXMPVUJYPFD-VBKZILBWSA-N 416.482 1.532 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1770043499 HFKOYPYCQLKYOD-ZAWLATJESA-N 418.542 1.604 30 10 HDEE CON(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1770245480 PROQOTRHFXMJFO-ZCXUNETKSA-N 418.404 1.671 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCC1(O)CCOCC1 1770412094 CQFYHIKPNPSHRZ-MRXNPFEDSA-N 413.478 1.614 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1770728054 MQMVKFFIRJFLFN-FRQCXROJSA-N 416.413 1.835 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1cnn(C)c1 1771281532 KVEPQLOECUQWNZ-SZMVWBNQSA-N 401.515 1.964 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1850302615 QUOMCICVXRUMJW-IBGZPJMESA-N 405.564 1.857 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(CC(C)(C)C(=O)Nc3ccc(CC#N)cc3)C2)c1=O 1851210546 JBEYWMIYOBLVJS-IBGZPJMESA-N 423.517 1.915 30 10 HDEE CS(=O)(=O)N1CCN(CCOC(=O)c2nc(-c3ccccc3)ccc2C#N)CC1 1852142388 BEMXIHDUVDBKBF-UHFFFAOYSA-N 414.487 1.354 30 10 HDEE N#CCc1ccc(C(=O)N2C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc32)nc1 1852313295 JEIOGMKQGVXLTG-KRWDZBQOSA-N 410.455 1.878 30 10 HDEE CS(=O)(=O)N(C1CC1)C1CCN(C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852333594 GXVOWJTWWMUNBN-UHFFFAOYSA-N 405.476 1.244 30 10 HDEE Cc1cncnc1N1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1853675532 JIJQHWNAGPMCQM-IBGZPJMESA-N 404.474 1.610 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cc(C)n(C(C)C)n2)C1=O)[C@@H]1CCN(C)C1=O 1853789798 OIOOAFOBTQLOTG-ZWKOTPCHSA-N 401.511 1.622 30 10 HDEE CN1C[C@@H](CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)CC1=O 1853849871 YSAJOURBTDSVFP-FXAWDEMLSA-N 408.502 1.737 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CC(c4nc(C(C)C)no4)C3)C2=O)CC1=O 1853880953 UIJJMKWCNJEUSZ-GOEBONIOSA-N 415.494 1.144 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccnc(Cl)c2)C1=O 1854097769 DRDYNOJBUYCVHG-HOTGVXAUSA-N 404.898 1.975 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1ccnc1 1854340683 CWFCSSQGISXUCI-QAPCUYQASA-N 408.462 1.382 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854401687 RWTVGIBTVKLUBS-LJQANCHMSA-N 412.490 1.931 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(c3nc4c(OC)cccc4s3)C2)C(=O)C1 1854502898 LSIAZZAOTUMMLI-UHFFFAOYSA-N 400.504 1.988 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@@H](C3CCN(CCCC#N)CC3)CC2=O)CC1 1855059994 JBZWHRXXDKYAED-SFHVURJKSA-N 424.567 1.049 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nn(C)c3c2CCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855121738 COYOHLZTCYOZQR-AWEZNQCLSA-N 405.458 1.336 30 10 HDEE Cn1nncc1C(=O)N1CCC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855152628 HLQBLIZDVNBPFX-GOSISDBHSA-N 408.462 1.361 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)c3ccc(-n4cccn4)nn3)C1=O)CC2 1855176370 KCYDTWVAEVNTTF-WBVHZDCISA-N 405.462 1.419 30 10 HDEE C=CCCN1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1855632936 NUEQMGQCJNTKOG-UHFFFAOYSA-N 403.504 1.756 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCCCN3C)C3(CCCC3)C2=O)CC1=O 1855757063 UQVGRFIPTIFDTO-MOPGFXCFSA-N 416.566 1.489 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccccc1C#N 1855807245 RSIDJBDJEQHGRQ-KSSFIOAISA-N 409.467 1.646 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)C[C@H]4CCOC4)C3=O)CC2)n1 1856976670 VJRUASDTCGRMAI-IEBWSBKVSA-N 412.490 1.598 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)C2=O)CC1 1857275092 YULNQELBQYZFGZ-IBGZPJMESA-N 405.458 1.268 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387068 BMNIPQQGRKJONQ-NVXWUHKLSA-N 416.501 1.618 30 10 HDEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1 1858111799 XFKCBYSTPKPTDI-HNNXBMFYSA-N 414.491 1.075 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 1891509253 GTSLVNLVVNDPFE-UHFFFAOYSA-N 423.502 1.349 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2082045387 ZZWZGJOGRIVILP-MOPGFXCFSA-N 412.483 1.505 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCC(=O)O)s1 2123862675 LWZZGQPTVOCOOW-SECBINFHSA-N 400.482 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@@H](CC(F)F)C1 2183436985 JXXMGPGLOCYDMQ-STQMWFEESA-N 408.471 1.653 30 10 HDEE CN(Cc1nn(C)nc1Br)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2232260234 KHCKCLXNNBTSOA-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE C[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243370464 OSNIVAIMPATROE-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836983 LGBVYVUXQSAMQI-JSGCOSHPSA-N 418.303 1.419 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 2247838533 JEUQEAUCFFWMFY-BETUJISGSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2247845945 XTJVYBKJTFGPDU-KGLIPLIRSA-N 422.287 1.289 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859439 VPSZNGAWTGQPSL-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248060220 CMDSHPKTKFMUQY-UHFFFAOYSA-N 418.303 1.373 30 10 HDEE CN(CCS(N)(=O)=O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267197531 ZHGABTWEVOGFOM-UHFFFAOYSA-N 408.738 1.061 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267351705 CCUIUCDUZUEDSC-UHFFFAOYSA-N 406.766 1.884 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)Nc2nc(CN)cs2)OC1(C)C 2267368301 HEVZZNWLKZLRGH-UHFFFAOYSA-N 401.344 1.763 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CNCCSC3)s2)OC1(C)C 2267720727 MDGSLCCPYVAORX-NSHDSACASA-N 404.388 1.031 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)O 2282335193 MDTOGLYKICBYNF-SJCJKPOMSA-N 401.359 1.829 30 10 HDEE CC1(C)C[C@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344032 TVMFQMCITGLXBL-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282419864 SGDRKFBGRAYDMB-GFCCVEGCSA-N 402.347 1.226 30 10 HDEE CN1CC[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282501205 UGXVOYDGIVXLIQ-CYBMUJFWSA-N 400.375 1.418 30 10 HDEE C[C@@H]1COCCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503444 ABMNHICOLDHSMS-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H]2CCCN2)OC1(C)C 2282506430 SBMFKFLFTZRNHE-GFCCVEGCSA-N 401.363 1.004 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282507482 IEOTWNKKLPDQSK-YMXBGEKHSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@]3(C)CO)sc2Cl)OC1(C)C 2282624651 NIJMPSJQYKXAES-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282675876 CWKBDSIXLFYXHR-YOEHRIQHSA-N 402.300 1.994 30 10 HDEE CNC[C@H]1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282831305 IFTZOYMGRJOZSY-CYBMUJFWSA-N 400.375 1.586 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N=[S@](C)(=O)N(C)C 2282831853 FOPMHIUBEVVQFC-VWLOTQADSA-N 402.347 1.557 30 10 HDEE Cc1cc(S(=O)(=O)NCCCC[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282838896 WEFAHRMYELRNOQ-VWLOTQADSA-N 421.415 1.793 30 10 HDEE CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850669 RPWHWGRKZZAAII-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC(C)(C)NC(=O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857710 LTZNOUFUWQFRHK-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CON([C@H]1CCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876288 AWAJQOIUHICQFL-ZDUSSCGKSA-N 402.347 1.102 30 10 HDEE C[C@@H]1CC[C@](CO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883931 HWJXWYMNBCVHBF-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CCCNCCC2)OC1(C)C 2284496880 DMNKGCPXWIWCAV-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2317411343 UKIYVSQYWQRREZ-FUHIMQAGSA-N 408.520 1.221 30 10 HDEE Cc1nnc(NC(=O)CON=C(c2ccc3c(c2)N(C)C(=O)CO3)C2CC2)s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c1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N)C1(C)C 2380430980 WKVRSPJNDVBXSF-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 6466670 OFXKQKVFUBLFEQ-DOTOQJQBSA-N 422.503 1.540 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)no1 10808228 CCLYRPROMOUBSC-UHFFFAOYSA-N 422.445 1.943 30 10 HDEE CC[C@H](C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@H](C)O[C@H](C)C3)c(C#N)c21 12531267 WFIVIQGAUATJEL-SDDRHHMPSA-N 409.494 1.967 30 10 HDEE C/C(=N\Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1ccccn1 59881254 KUPRFVSJAVTRSG-SRZZPIQSSA-N 415.483 1.951 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 97973693 UXZCDTDGPVVXFM-IOIRKEDYSA-N 420.502 1.323 30 10 HDEE C#CCN(Cc1cc2c(cc1Br)OCCO2)[C@@H]1CCS(=O)(=O)C1 111047169 YUTPPQRNNPLJOZ-CYBMUJFWSA-N 400.294 1.843 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](c2ccccc2)N2CCSCC2)CC1 138246675 RMRCJOZKEGFTCA-HXUWFJFHSA-N 402.564 1.223 30 10 HDEE CCC(=O)OCCCCSc1nnc(N/N=C/c2c(C)nn(CCO)c2C)[nH]1 253578450 YIXUCQOPNXEJTP-WOJGMQOQSA-N 409.516 1.882 30 10 HDEE COc1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254722175 XQGWVCXBGDYSHD-UONOGXRCSA-N 412.489 1.552 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCCC3)CC2)cc1 303625578 SOEVSAYIMXIWDB-UHFFFAOYSA-N 404.536 1.827 30 10 HDEE CCNC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Br)c2)C1 433873616 FZYVQAOXCVHBDM-LLVKDONJSA-N 401.286 1.403 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(C2CCCC2)c1C 434799846 XCHFPOYCLMLYDQ-NRFANRHFSA-N 412.494 1.704 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCc2ccccn2)CC1 435775603 DNCGDPZCZJPSAU-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2)cn1 461300006 IUMHXGOHUWMMIB-UHFFFAOYSA-N 408.443 1.931 30 10 HDEE COCCOc1ncccc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481535714 PTBOPVHYTOYXJH-ZDUSSCGKSA-N 404.448 1.284 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)ccc1C 489108584 IYIBCIRICAWZBC-UHFFFAOYSA-N 414.487 1.725 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)c(OC(F)F)c1 522271251 VRRGFVMEYPNIKG-UHFFFAOYSA-N 420.437 1.929 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)nc1 532140497 HAQWGTXFYWYCFW-UHFFFAOYSA-N 422.554 1.752 30 10 HDEE C=CCn1c(Cc2noc(-c3ccc(F)cc3[N+](=O)[O-])n2)nnc1N1CCOCC1 545644347 FUTGRXGDYYGJBW-UHFFFAOYSA-N 415.385 1.989 30 10 HDEE CCc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)ncn1 546928818 AHUAQAOTEVPVOA-LJQANCHMSA-N 420.521 1.806 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 553886411 KZMRRRFKBYWJQN-GOEBONIOSA-N 415.446 1.895 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCCCO2)CC1 555503343 USHCDCSGWYXFEV-MSOLQXFVSA-N 404.559 1.785 30 10 HDEE COc1cc(CNC(=O)c2cc(NS(C)(=O)=O)c(OC)c(OC)c2)ccc1C#N 558556085 ZLIUIPKBCFDUJA-UHFFFAOYSA-N 419.459 1.886 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558586634 BNGLZGPOQROFAX-HOTGVXAUSA-N 405.524 1.366 30 10 HDEE N#CC1(CS(=O)(=O)NCCNC(=O)c2cccc(Br)c2)CCC1 578869818 FCTBHGATBFPOMV-UHFFFAOYSA-N 400.298 1.792 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3ccc(C#N)c(F)c3)c(C(=O)O)c2)CC1 582642214 ONNHLIUSKQQHPE-UHFFFAOYSA-N 418.450 1.948 30 10 HDEE N#Cc1ccc(CN2CCN(C[C@H](O)CN3C(=O)c4ccccc4C3=O)CC2)cc1 603440009 FNMXFGKGIGFPDV-IBGZPJMESA-N 404.470 1.333 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)Nc2cccc(OCC(=O)OCC)c2)CC1 609282394 FWYCQUQNLJONCY-UHFFFAOYSA-N 403.479 1.724 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2=O)cc1 609681404 GPXQIVVALYJNSG-MRXNPFEDSA-N 412.471 1.920 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 610619066 SQSMHTDLTAPEHD-UHFFFAOYSA-N 400.460 1.853 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 611673861 GYGSDMIJHLQMAP-SFHVURJKSA-N 403.508 1.549 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cn2)c1 612548439 OWXFOMLSKPDFGF-QGZVFWFLSA-N 407.430 1.227 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 727990133 NGXAMGRMQFTSKK-OQCHKFKFSA-N 424.548 1.749 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCSCC(=O)OC)C1=O 729818328 PGTDGXJRAPZMSH-CQSZACIVSA-N 420.516 1.532 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 731213730 PTXVHYPYKQZOKR-UYAOXDASSA-N 404.532 1.871 30 10 HDEE N#C[C@@H]1CN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCN1C1CC1 746776506 VMDANPUBBDGOPZ-OAQYLSRUSA-N 409.534 1.849 30 10 HDEE COc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1C#N 747079161 HUSGTPJVCHVPNX-UHFFFAOYSA-N 411.439 1.804 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1)C1CC1 750426684 TUHHTSLTYLRPLN-INIZCTEOSA-N 419.239 1.390 30 10 HDEE C[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)c1ccc(S(=O)(=O)N(C)C)cc1 752607660 BEMCWCBJYQEDTC-HNNXBMFYSA-N 420.491 1.240 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC[C@H](O)C(=O)O 757470302 FSAAWGKBFXHACO-FQEVSTJZSA-N 422.437 1.480 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758067390 GFGKWNSAIXSIDG-UHFFFAOYSA-N 411.552 1.707 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)NC2(CCCC2)C1=O 760401093 RTRIFOXQXMWZKF-ZDUSSCGKSA-N 410.496 1.160 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 763605282 INKIBDGWANDOCW-WBVHZDCISA-N 406.527 1.803 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 763883786 KQQSEZGKCFMZQM-UHFFFAOYSA-N 410.496 1.214 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)c2cnn3cc(Br)cnc23)cc1 769898154 BJVGDFYUCRBMDH-UHFFFAOYSA-N 414.219 1.837 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 773570023 UIQOPKHVQKVKGG-HZPDHXFCSA-N 400.483 1.652 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)NCc1cnn(-c3ccccc3)c1)C(=O)N2 774813922 ITMUJOPXMCYLJI-UHFFFAOYSA-N 405.414 1.870 30 10 HDEE CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)[C@@H](CNC(=O)OC(C)(C)C)C1 775436793 JLDQMEYFUNLASH-KRWDZBQOSA-N 417.510 1.787 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(C(F)(F)F)cc1F 780776780 HBDHNTSTEPEPCB-YPKPFQOOSA-N 407.345 1.649 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)cc1C#N 788318876 JAIFQSBRXXDLNJ-UHFFFAOYSA-N 408.458 1.336 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)n1 788813688 PLKOANZNJKRSIO-UHFFFAOYSA-N 410.883 1.106 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)OCC(F)(F)F)C2=O)cc1 788941449 YVRHGUKFKIBCOL-GFCCVEGCSA-N 413.308 1.412 30 10 HDEE CO[C@H]1CCCC(=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 794452391 WBADJOUTPFKNKN-AWEZNQCLSA-N 412.468 1.973 30 10 HDEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794593969 AEQUQXJJLLUBLR-CQSZACIVSA-N 408.483 1.076 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cnn(-c3ccccc3)c2)[C@@H](C#N)C1 796484436 HBRCYGUGXXCUNG-IBGZPJMESA-N 424.505 1.933 30 10 HDEE Cc1ccncc1N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 798455212 GCEWVSSUFIQHGZ-SJORKVTESA-N 414.510 1.981 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C(F)F)C1 801417450 AUZFHRPOSVHNQD-KBPBESRZSA-N 415.462 1.776 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1CC(F)F 804722047 BTWBDBYEBHOVHW-GFCCVEGCSA-N 401.435 1.388 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812385565 YAJBUCUTYWYIAH-HZPDHXFCSA-N 405.499 1.692 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](O)c2cc(Cl)c3c(c2)OCCO3)cc1C#N 813688094 GDACJIHUHOVARR-HNNXBMFYSA-N 409.851 1.698 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)C1 813837257 GSBWWKFNZQCVKU-RBUKOAKNSA-N 414.506 1.745 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CC2)nc1 1125727585 FGQVJZLETAFVHU-SFHVURJKSA-N 418.457 1.179 30 10 HDEE C#C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(Br)cc1 1129730869 MQUDWDJXGAMWQV-OAHLLOKOSA-N 404.268 1.822 30 10 HDEE Cc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1136150026 GVOZUWUZYLPLLK-UHFFFAOYSA-N 422.356 1.448 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@H]2c2cnn(C)c2)c1 1138194955 GZUYJGOSQKXKIH-MYUZEXMDSA-N 419.528 1.163 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N(C)CCc1ccccn1 1143572584 RABYOUXISBQXFN-QGZVFWFLSA-N 402.495 1.505 30 10 HDEE CN1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC[C@@H]21 1151993340 QAMKNYNAFPWNLK-AEFFLSMTSA-N 418.563 1.838 30 10 HDEE C=C(C)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1153509779 KPEXHWJFVCFFHH-IRXDYDNUSA-N 412.446 1.777 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(N3CCOCC3)n2)c1 1155070242 RVAGPHOZPQLTPS-UHFFFAOYSA-N 413.499 1.645 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OC 1155475241 NXYNHYAYLZZSQG-CYBMUJFWSA-N 423.516 1.926 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC 1161364231 ALCGUUQVUBXEIV-CABCVRRESA-N 401.419 1.135 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)COc3cccc(C#N)c3)CC2=O)C1 1179999845 FJPCYBJKXJKZMC-HNNXBMFYSA-N 414.462 1.273 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1196781608 DDWATELSXTUFRN-UXHICEINSA-N 406.490 1.682 30 10 HDEE N#C[C@]12CN([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@H]1CS(=O)(=O)C2 1198336277 FYRMNYLJEJRRAO-UCLAIMLFSA-N 409.458 1.326 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 1251529126 XMPNLEDRPCPETK-LJQANCHMSA-N 400.523 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1286415694 JUIFKWAYPOICKE-UHFFFAOYSA-N 421.910 1.133 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccc(F)cc1 1286464620 CNIAJYPGCBZQLJ-UTKZUKDTSA-N 415.469 1.362 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCC(=O)NC)CC1 1286471010 FPOXGYAYGBVSER-INIZCTEOSA-N 414.485 1.449 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](COC)OC)CC1 1286483852 AYDQFZFVEHHHPV-QGZVFWFLSA-N 417.485 1.413 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1286517280 SJQPNFLJUUGICN-GOSISDBHSA-N 422.942 1.925 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C 1286758426 NFNNSCJBWQIBIF-CABCVRRESA-N 407.540 1.273 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1 1286784614 NPYMVBVCSHZFPZ-UHFFFAOYSA-N 408.462 1.508 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C[C@H](C)C(=O)NC 1286789965 YTGYOAZWUQEDPC-AWEZNQCLSA-N 402.474 1.129 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)NCc3ccc(SC)c(C#N)c3)CC2=O)cn1 1288807744 AYBSAXKHIIGHSD-INIZCTEOSA-N 413.503 1.792 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2CC2(C(N)=O)CCOCC2)C1 1288976680 CDCJVYKEUXXWCN-HNAYVOBHSA-N 402.499 1.194 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1298284001 WXXRWQRDHJIKOE-INIZCTEOSA-N 401.492 1.213 30 10 HDEE COc1cc(-c2noc(CCC(=O)N[C@H]3CCCN(O)C3=O)n2)cc(Cl)c1OC 1298541411 IAMOTMYVLKHWBI-LBPRGKRZSA-N 424.841 1.836 30 10 HDEE Cn1cc(C[C@H](CO)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1299614137 JNKHTMNEHKXJMZ-MRXNPFEDSA-N 418.295 1.210 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCc2ccccc2C1 1300532412 UYCYUBZYZTYLTL-OAQYLSRUSA-N 416.529 1.750 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1300602906 VJEATOPHWKIVDB-BBWFWOEESA-N 410.588 1.468 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[C@@H]2COCCO2)CC1 1300701382 QTCCUNBPEVTFDM-LJQANCHMSA-N 413.497 1.569 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)C 1300890224 GBMDGMSIMUVUHJ-JXFKEZNVSA-N 418.542 1.343 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1300915612 OWJPFDRLOMTRNA-YWZLYKJASA-N 421.567 1.594 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1300991807 RFLVETHHWJLNOG-SFHVURJKSA-N 416.570 1.881 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1301001583 MIAOWYQEHCHQBK-RTWAWAEBSA-N 421.542 1.485 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1301187753 BMZMOLGPJUVZSV-IRXDYDNUSA-N 409.556 1.057 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1301239087 KXKOSFUWLMXGJZ-UHFFFAOYSA-N 403.487 1.236 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(NC(=O)COC)CC1 1301463507 YGLVQQNFKSUVPX-UHFFFAOYSA-N 409.494 1.434 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCCCC2)C1 1301475502 UMHBZEITTIIDPS-KRWDZBQOSA-N 417.558 1.031 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN(C2CC2)C(=O)C1 1301491391 IEYQHEGKWUYKSL-UHFFFAOYSA-N 410.478 1.067 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCSC2)C1 1301553564 OGPLZRMDTGDERK-PXNSSMCTSA-N 417.583 1.897 30 10 HDEE C[C@@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)c2ccc(Br)cc2C1=O 1302596894 RJWHIUFCIXJQRR-LBPRGKRZSA-N 419.279 1.491 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(F)(F)CC1 1303097030 ZXDXPIFUPFTLDG-DHSYKJLNSA-N 422.436 1.892 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)c(F)c1 1303411494 PUAJIKHXDZNZMD-OAHLLOKOSA-N 415.473 1.398 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C(C)(C)C)c(=O)nc1O 1303426922 CMVUUMCESNDLDT-CQSZACIVSA-N 406.483 1.627 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)OC2=O 1303806911 SEAYFAGVJOWVSI-AWEZNQCLSA-N 402.451 1.949 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H]1C 1305153555 DBDNAAAFNAZAAK-GJZGRUSLSA-N 402.524 1.848 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1305520027 ATIHFQTYRNFNMR-ZHRRBRCNSA-N 422.537 1.863 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCSc2ccc(Cl)cc2)CC1 1311444242 NNWKXRODWRBYRB-UHFFFAOYSA-N 416.956 1.227 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CCN(c2ncccc2C#N)CC1 1312934654 PCYIEFWTNGBSRH-UHFFFAOYSA-N 400.512 1.489 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1314135801 AQLKQWGMAONYGL-JXFKEZNVSA-N 405.499 1.354 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1314571839 PZTRAWASOBRIOH-LJAQVGFWSA-N 418.523 1.904 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1316176361 HEJFMKASAUKNIL-JXFKEZNVSA-N 424.521 1.555 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)SC 1316207061 SYVZNAZRMLSJKE-BFYDXBDKSA-N 408.572 1.930 30 10 HDEE C=CCO[C@@H]1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1320899253 RQDADKDIAWGLJN-SJLPKXTDSA-N 423.535 1.311 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@]4(CCCOC4)C3)C2=O)cc1 1326990873 AYRKSTLWUWODCM-LAUBAEHRSA-N 412.446 1.171 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1348620536 APQHFABVVCYQGT-HXUWFJFHSA-N 405.520 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1358884695 UZYHSYWIYVPBHF-QGZVFWFLSA-N 419.489 1.448 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@H]1C 1359026366 VQXUZAVHTQYXQM-JTSKRJEESA-N 424.505 1.143 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359058499 GEOWADMLPAFVON-HZPDHXFCSA-N 421.592 1.888 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1359291281 KTCLHUWXFDUXAA-JKSUJKDBSA-N 418.542 1.502 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1359332311 UULWDFFURSHICU-QGZVFWFLSA-N 412.556 1.777 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1359472112 FUNYMUOCHMBLDP-FPTDNZKUSA-N 421.505 1.949 30 10 HDEE CC(C)OCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1360380286 RSZVMKHDHUQRDB-QAPCUYQASA-N 413.519 1.827 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1360618665 FSSABSMDXMEXKA-ZDUSSCGKSA-N 402.480 1.666 30 10 HDEE Cc1nc(SCC(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)c(C#N)c(C)c1C 1452161927 GJMZHQFUYZNDQZ-UHFFFAOYSA-N 424.530 1.813 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(CO)CCc3ccccc32)s1 1452771761 KVNLAEGXRWSKRS-FQEVSTJZSA-N 420.556 1.748 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 1455950330 ZSQDMSTYEPNQDE-UHFFFAOYSA-N 404.517 1.771 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CCOCC3)CC2)c(F)c1Br 1458083460 NLBLRVFRTDEZAG-UHFFFAOYSA-N 411.275 1.441 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1463999026 RITIIJRUQABEJH-UHFFFAOYSA-N 413.459 1.791 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1464590122 YBGQGQSPXVFFMU-WKJUBOCMSA-N 409.202 1.997 30 10 HDEE CCC1(Cn2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nn2)COC1 1467706045 FGWNRAFIBNBUIA-QGZVFWFLSA-N 408.462 1.107 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468557403 DKACLQFNEDCBSO-PKOBYXMFSA-N 420.556 1.740 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1503371728 MOLNEYZWRBRDPJ-QFIPXVFZSA-N 423.521 1.206 30 10 HDEE Cn1cc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1503657186 DMJULWYDRBXVFH-QGZVFWFLSA-N 417.539 1.286 30 10 HDEE C[S@@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1505148648 ANAVIRMWFJMTSO-ZRQGWTPZSA-N 421.567 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)[C@@H](C)CC 1507773396 RLYCOTFGECTVND-ABSDTBQOSA-N 407.584 1.903 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507784329 INCVCSXUIRCNTG-YNEHKIRRSA-N 415.288 1.051 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507848670 MFIOJPYXYLNJSX-GOSISDBHSA-N 418.542 1.123 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1507968587 WOBXYAZXOJQBPI-HNNXBMFYSA-N 420.539 1.249 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1508080597 PZDGPILBNLFDIC-OAQYLSRUSA-N 410.453 1.812 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@@H]2OC)C1 1508132642 XUJCCVIIBXBBKX-KURKYZTESA-N 403.527 1.997 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCS(C)(=O)=O 1508995311 DBLJVBBGKVFLSM-UHFFFAOYSA-N 417.539 1.429 30 10 HDEE Cc1ncc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1511597261 GROCJMVYSFJNDO-KXBFYZLASA-N 418.523 1.861 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC(=O)N1C 1512421355 RQQMOFVDNFRWBE-WMLDXEAASA-N 421.505 1.398 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1515098178 ADAVORPIBCWFJX-KRWDZBQOSA-N 410.478 1.732 30 10 HDEE N#CCc1ccsc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1515432624 QBRVTWVWHPWSOE-UHFFFAOYSA-N 411.443 1.947 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1515829666 WFGYRBWNFVWUCQ-WMZOPIPTSA-N 418.490 1.978 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCOCC(F)F)c1 1521074786 CTOPRUKXAWCWQC-HNNXBMFYSA-N 404.421 1.800 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1526045787 CCCJNTAYNFPWHP-GOSISDBHSA-N 400.475 1.895 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1OC 1526649806 YARYKQUUCINUNG-BPJPHKDRSA-N 407.488 1.689 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC(c3ccccn3)=NO2)c1 1528412329 MZSCZKKKXJCHTK-OAQYLSRUSA-N 418.453 1.448 30 10 HDEE C#CCN(C(=O)[C@@H]1CSCC(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1538199086 OTCKSFZQFXOOPM-UONOGXRCSA-N 409.305 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539014594 RRIVADBFZPLNEN-AEFFLSMTSA-N 411.506 1.755 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1539087712 YFXKVVJRYLCRRY-PXNSSMCTSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1539216788 XHECCIDKEULDDB-OKZBNKHCSA-N 404.536 1.763 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1539305368 YNGMEGBCWGTNOU-UHFFFAOYSA-N 417.473 1.570 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539352401 XVECXSLVDRSYJQ-HXUWFJFHSA-N 402.520 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2nnc3n2CCCCC3)CC1 1539467131 NIZJZXDBSZMHJB-UHFFFAOYSA-N 424.553 1.734 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 1539468710 HMJKRNGPWUSERV-HXUWFJFHSA-N 412.513 1.994 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)CC1 1539612803 QGDZAGPFRUKPDQ-ROUUACIJSA-N 420.558 1.166 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1539636506 KZOJYERTKRPCSX-UWVAXJGDSA-N 410.522 1.947 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)COC1 1540293855 DYPSXTFTDNICGD-UHFFFAOYSA-N 414.506 1.886 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C#N)o1 1541810444 RKJYWNGRWPWSTM-ZDUSSCGKSA-N 422.445 1.929 30 10 HDEE Cc1ccccc1OCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1542779124 XQHWDZGBZVEHOE-IRXDYDNUSA-N 410.478 1.736 30 10 HDEE CN(C)S(=O)(=O)N(C)CC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 1542803657 KOTHOJIQPSEDRC-IBGZPJMESA-N 416.503 1.685 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1543136623 ARDDUCMIKHJTGU-JKSUJKDBSA-N 418.556 1.898 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C)c3ncccc3C2)ccc1F 1558063787 WPUPGBSPPPYKDS-UHFFFAOYSA-N 404.467 1.777 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 1558222868 XSZVWSSOVVOGEX-ROUUACIJSA-N 413.478 1.529 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H](c3ccccc3)N3CCSCC3)C[C@H]1CS(=O)(=O)C2 1558642746 BWFSFWSYHIELPU-YQVWRLOYSA-N 405.545 1.173 30 10 HDEE COC(=O)c1cnc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cn1 1558973059 ABFFARHLRULGHC-UHFFFAOYSA-N 406.196 1.060 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1 1561154638 HVAMQERTUYGGTM-JHJVBQTASA-N 405.460 1.491 30 10 HDEE C#CCCS(=O)(=O)N[C@]1(C(=O)OC)CCc2cc(Br)ccc2C1 1561762015 FPLGIIHYTINGSW-MRXNPFEDSA-N 400.294 1.792 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 1564831836 BUDZFCDJPFWLRG-GOSISDBHSA-N 407.540 1.992 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCC2(C#N)CCCCC2)cc1OC 1584783240 HYUIXTQUNLQCQJ-UHFFFAOYSA-N 409.508 1.962 30 10 HDEE CC(C)(C)C(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1585139137 RHRCOWJCVHHDSZ-JXFKEZNVSA-N 403.504 1.359 30 10 HDEE C#CC1(O)CCN(C(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1585304901 CPYOJABKOVFIKQ-JOCHJYFZSA-N 406.523 1.905 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1586110748 ALPIDTQBJOJKMG-UHFFFAOYSA-N 416.478 1.910 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)CN(C(=O)OC(C)(C)C)C1 1587498635 QAXFUBHAVMCVMP-LHSJRXKWSA-N 420.510 1.636 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSCC=C)CC1 1588750076 BKNJFHFSAQEDPG-HXUWFJFHSA-N 405.568 1.605 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1589068897 FXKYSVRPEQHCNU-OAHLLOKOSA-N 405.549 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)CC1COC(C)(C)OC1 1595758675 BMNYLAFURIYCGI-UHFFFAOYSA-N 400.545 1.838 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 1596490882 QKERJRGKUJMGKE-CYBMUJFWSA-N 411.414 1.876 30 10 HDEE N#C[C@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 1617186174 UAPCNOUXDBNRSA-IBGZPJMESA-N 422.445 1.953 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1619909643 FPRJRJXHSKDYAT-QGZVFWFLSA-N 419.530 1.041 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)c4nccn4c3)C[C@H]1CS(=O)(=O)C2 1626655720 KDPZMJHRZHDWHE-NHYWBVRUSA-N 409.265 1.107 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2CCCCC(=O)C2=O)nc1C 1628356946 PSLDWKOPHXXTOL-UHFFFAOYSA-N 420.520 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)NN2C(=O)Cc2ccc(OCC#N)cc2)C1 1632417182 BKEOXVMRLWGBMB-OAQYLSRUSA-N 414.462 1.775 30 10 HDEE C=CC[C@H](NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)OCC 1632656311 OXIUZVAVPUZRBK-WCVJEAGWSA-N 410.536 1.907 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]2OCCNC(=O)[C@H]21 1632871599 GYFQBZMYZMUUBD-MJBXVCDLSA-N 401.891 1.528 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OC)c1ccc(OC)c(O)c1)C(=O)OC(C)(C)C 1633328244 ZORZVICLCXJIBG-QGZVFWFLSA-N 406.435 1.601 30 10 HDEE C#C[C@@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)[C@H]1CCCO1 1633397642 MWRRKSCSOBUVNI-WOJBJXKFSA-N 415.515 1.711 30 10 HDEE Cc1cccc(-n2ccnc2SCC(=O)NCCn2cc(C#N)c(O)nc2=O)c1C 1633549947 FXCMONRYXRTVAR-UHFFFAOYSA-N 424.486 1.532 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)OC 1634058953 UDWISDSZVZMJOP-FUHWJXTLSA-N 404.463 1.164 30 10 HDEE Cn1ccc(NC(=O)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1635497849 HZESRHBVWJTSEE-UHFFFAOYSA-N 417.267 1.245 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1636180334 ZDWFKHAVLXQHHQ-FQEVSTJZSA-N 400.523 1.612 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 1636471962 GPHJZZDCTXFDRT-UHFFFAOYSA-N 415.397 1.862 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 1638250874 UNRSVJHLRSOCFU-CQSZACIVSA-N 407.471 1.698 30 10 HDEE CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1645007856 OVRJAPWSAZRRKQ-HIFRSBDPSA-N 409.508 1.709 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCC1 1647860502 HAWGSFMSQDDJSU-SFHVURJKSA-N 406.552 1.027 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCC[C@@H]3N3CCOCC3)CC2=O)cc1 1651692186 QOTUEROVGUGXGL-ZVDOUQERSA-N 410.518 1.918 30 10 HDEE C[C@]1(C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)COC(=O)N1 1652065931 IGLCGSVWLYWDGV-GOSISDBHSA-N 409.439 1.474 30 10 HDEE C#CC1(O)CN(C(=O)c2cccnc2N2CCN(Cc3cccc(Cl)c3)CC2)C1 1653281472 NZUWQKKBQUPXGT-UHFFFAOYSA-N 410.905 1.877 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(Cc3nc([C@@H](C)OC)no3)CC2)cc1 1654431716 ADBGVHLADMWIDD-OAHLLOKOSA-N 404.492 1.655 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCc1cccnc1-n1cnc2ccccc21 1655375217 HNNZGIAXPBSVFF-UHFFFAOYSA-N 414.491 1.617 30 10 HDEE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343180 IQKKEPICUCZNAQ-OHUAYANFSA-N 412.855 1.445 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2c3ccccc3C[C@@H]2CO)CC1 1659363269 DXOIACJCGWSPDP-IFMALSPDSA-N 408.477 1.958 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)cc1 1662397053 BXQQBKBDFIPWGC-UHFFFAOYSA-N 413.499 1.622 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1666340714 XKNZQZMFPNQAGT-UHFFFAOYSA-N 417.531 1.422 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc2ccn(C)c(=O)c2c1 1669754696 HTADQVLALIYMAL-AWEZNQCLSA-N 403.446 1.943 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)nn1 1670102276 GSAMOUQYRCNGJX-QGZVFWFLSA-N 400.439 1.086 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1671672072 RXAHGJRQVLJFFI-ZDUSSCGKSA-N 409.389 1.848 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 1671950419 SYLGJNGLEAXHLR-MRXNPFEDSA-N 408.499 1.262 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 1672484229 FICXJKWWUOKNNG-UHFFFAOYSA-N 405.442 1.863 30 10 HDEE CCS(=O)(=O)CCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1678232143 ABLNNDAPJFEMTN-UHFFFAOYSA-N 416.507 1.215 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1680776846 GNUZDVHGAUEMSB-UYAOXDASSA-N 421.519 1.453 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1680958194 RIGYWYCPOKHBOT-ARFHVFGLSA-N 423.514 1.120 30 10 HDEE C=CCCC1(CNC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CCCC1 1682692618 XJEVKTUJTYTCIQ-UHFFFAOYSA-N 404.515 1.185 30 10 HDEE C#CC1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1683190487 ZFGLFUMAGQIHEY-SFHVURJKSA-N 405.520 1.699 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[C@H]3Cc3cnn(C)c3)CC2)c1C#N 1683970492 FJCVHRSIBNHFEP-PKOBYXMFSA-N 410.526 1.577 30 10 HDEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(OC(F)(F)F)c1 1684990634 HDWUZEJYRWPBAF-JTQLQIEISA-N 411.340 1.780 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)nn1 1686847915 JSQMPZOWKLZGBH-HNNXBMFYSA-N 419.283 1.609 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1687850950 KFVRRDSJOPXKOK-UHFFFAOYSA-N 416.457 1.249 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1689839020 BRIQJBONUPXSTH-XJKSGUPXSA-N 414.420 1.803 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1689847292 WSOUTERISQPJLF-OXQOHEQNSA-N 415.567 1.344 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(n1)CCCC2)[C@H]1CCS(=O)(=O)C1 1689993274 ZQLGKRHKISFPCI-SFHVURJKSA-N 413.547 1.789 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCNS(=O)(=O)CC 1690011172 DMKKUHBKLSKEPU-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@H]2C[C@H]2C)CC1 1690138116 SHMKGDLJNZGUGP-KUDFPVQQSA-N 401.511 1.477 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN2CC)CC1 1690146004 CTCZXHODOTWXJM-RBUKOAKNSA-N 414.554 1.232 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1690317198 UTAPLUFRTOHLNI-KRWDZBQOSA-N 418.542 1.488 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1690549879 LQSFRTQYZLTPOO-HXUWFJFHSA-N 414.535 1.903 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](C)(C(N)=O)C2)cc1 1690680026 GXCWRRRLMSJIKJ-HTAPYJJXSA-N 424.505 1.544 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCSC2)C1 1690710322 QSGWHPCNPJLAKL-XLIONFOSSA-N 401.536 1.913 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 1690714453 MWNDRSZKMHAMKE-JKSUJKDBSA-N 410.540 1.878 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ncnn1C(C)(C)C 1692667458 GNZAIHJPRFDWCN-AWEZNQCLSA-N 421.509 1.912 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC 1694257034 CHBGTZWTWXYMGU-QZTJIDSGSA-N 417.535 1.983 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1698152626 YUPLFKFTRPAELG-UGSOOPFHSA-N 414.457 1.513 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1705475634 UEEQMOZGXMQJHV-BBWFWOEESA-N 410.588 1.467 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2Cc2ncn(C)n2)c1 1705507640 HWMWDUSSLYOWJZ-QGZVFWFLSA-N 420.477 1.363 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CN(CC(C)C)CCO1 1705550153 SQAWDFQIUPKPDQ-MRXNPFEDSA-N 414.510 1.432 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C1CC1 1705550530 MLBJROSUAMHTJU-OAHLLOKOSA-N 415.567 1.790 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)C 1705626573 BDHZOPKTASVNAO-UHFFFAOYSA-N 407.478 1.305 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2cccs2)CC1 1705637985 TZQZJQBEWCTVGS-FQEVSTJZSA-N 411.535 1.403 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN(CC)C2CC2)CC1 1705649309 SJSFXFFMQIHIKH-UHFFFAOYSA-N 423.565 1.734 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705666187 RIDSYDSKFSWPIL-SFHVURJKSA-N 407.584 1.730 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705805194 BGFKJUNAIPPPER-JKSUJKDBSA-N 414.514 1.670 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1cn(C2COC2)nn1 1705884239 JVQXMMQWCDQQOC-QGZVFWFLSA-N 403.487 1.370 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1705901283 HRLFEKZDLYAPGC-UHFFFAOYSA-N 424.571 1.098 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705902755 MSMJWVTZXZJLTH-FQEVSTJZSA-N 414.897 1.617 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1706669971 YELZCRWFWRGSPL-NRFANRHFSA-N 418.542 1.927 30 10 HDEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1709380128 GWAIEFCVDAMFAA-MWWKQMNYSA-N 423.525 1.759 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1710908900 CGICUASHFPCBMQ-ACSYHNTCSA-N 415.519 1.581 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1711319921 FTCWSYOOANHVSB-OAQYLSRUSA-N 405.462 1.739 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1712595327 AIZBOBKZSVMCBL-GOSISDBHSA-N 408.466 1.350 30 10 HDEE N#Cc1ccc(CN2CCN(CCCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)s1 1713069557 PGINORKWWVDSDY-RMMWZPCPSA-N 400.548 1.667 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722350987 GUENLNXMHPIYQY-UHFFFAOYSA-N 418.501 1.849 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722368900 XCUOXEFSHSUUMP-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCSCC2)CC1 1722439816 QPSNBWXNJGKZRG-UHFFFAOYSA-N 411.579 1.068 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N(C)CCCS(C)(=O)=O 1722476662 DHAUCQQGSZCURR-UHFFFAOYSA-N 422.349 1.196 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCO[C@H]2CCOC2)CC1 1722560269 UNHOMJWNYJATNC-CVEARBPZSA-N 413.544 1.240 30 10 HDEE C=CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722603183 QHIFKTZIZVQZPP-UHFFFAOYSA-N 422.497 1.032 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1723058219 VBQOUQQPIAAJGW-UHFFFAOYSA-N 408.466 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1740549769 FRXNPZLZDZXDSQ-IRXDYDNUSA-N 413.497 1.961 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(=O)NCC(F)F 1740559553 QHSFHVLXHOVOJB-ZDUSSCGKSA-N 407.421 1.705 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740580090 XLAVSHPMNJMHJR-UHFFFAOYSA-N 424.505 1.498 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740628318 PIFWIXZWSMIPLC-MSOLQXFVSA-N 423.583 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)[C@@H](C)CC 1740645878 MYXRYAREEDPPGS-BXWFABGCSA-N 409.556 1.148 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC(F)F 1740669085 LXZYNMIINLZXAL-UHFFFAOYSA-N 416.432 1.933 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ncn(-c2ccccc2)n1 1740683420 GGNVAPVBZZMUCW-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC 1740732665 MKQPJGKPAKUVIE-LJQANCHMSA-N 405.499 1.549 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1740792248 WFIXYWAEIOHNJN-OXJNMPFZSA-N 400.483 1.712 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740792637 ZYJMWMMRZBVOGX-HUUCEWRRSA-N 408.528 1.586 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC)C1 1740843298 DKWGUUUQKPBZKV-KGLIPLIRSA-N 413.544 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N(CC)CC)CC1 1740962218 WEYPIZCPLFTGSM-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCCS2(=O)=O)C1 1740976742 MWYQBHRBRNKMNH-HNNXBMFYSA-N 406.512 1.090 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1740978488 WJUMLEVQRZLPHS-IRXDYDNUSA-N 410.478 1.715 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)NC)C1 1740982326 UXVMHWIQVPDNJH-INIZCTEOSA-N 423.514 1.339 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1747624344 VTEQUXMUSXRALM-CZIZESTLSA-N 403.446 1.942 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1748296265 BSUAERVGQMYKTP-BBRMVZONSA-N 420.495 1.078 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cn1 1748772835 PYXUDQMWLBSENR-GFCCVEGCSA-N 412.903 1.085 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1748906067 OTVWMPIPNANMNH-LLVKDONJSA-N 413.491 1.643 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCn2cncn2)CC1 1749347586 FCGSARRPDZAQKO-UHFFFAOYSA-N 412.523 1.964 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1749459655 QDHGLKPBMPTKTH-GOSISDBHSA-N 423.583 1.828 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNS(=O)(=O)c1ccccc1 1749461919 LOOYFXQTBTXOSW-UHFFFAOYSA-N 418.523 1.115 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749731309 BBSMNDZGXMXOHB-XMTFNYHQSA-N 424.567 1.982 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1750155031 WNORQUUOXVINMU-APAFKAMOSA-N 419.526 1.936 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1750379567 GDQHGFNAJHQABP-IAQYHMDHSA-N 404.368 1.293 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C2[C@@H]3CCC[C@@H]23)n1Cc1ccc(C#N)o1 1751204496 PHNDOPHWXGYRCV-NILFDRSVSA-N 404.496 1.636 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1752311905 HOQAGYNHPPTTIP-RDJZCZTQSA-N 415.519 1.867 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1752445770 GSHGBVOJPBLWRU-PNHOKKKMSA-N 403.433 1.990 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1760100194 RUIJKJXDEMGGNC-UZLBHIALSA-N 424.567 1.601 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1760186821 AUDHTCPWCKLIKO-KRWDZBQOSA-N 418.567 1.632 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CC1(NC(=O)OC(C)(C)C)COC1 1760210374 OIBYZZWJIOSOQO-UHFFFAOYSA-N 403.483 1.181 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1760232784 DMZVSDRKNHHELB-AWEZNQCLSA-N 403.508 1.555 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1760266032 OMEIBNJHLFEOKV-IRXDYDNUSA-N 416.570 1.440 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760282008 UIGMIWIZRDGMTP-QGZVFWFLSA-N 413.551 1.573 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C(N)=O)CCCC1 1760329746 JNNZCICXEMQTTN-AWEZNQCLSA-N 412.560 1.336 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1760466836 KJAOEFSKZLVLRU-UHFFFAOYSA-N 405.524 1.823 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1760528246 WTIZBEHZDSWBIM-ZDUSSCGKSA-N 404.437 1.190 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)C1 1760535012 KCPUIQNWHJSCAJ-NVXWUHKLSA-N 420.539 1.421 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(F)(F)C2)C1 1760535026 KGOXHRQWCDULIF-JSGCOSHPSA-N 419.498 1.715 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)C1 1760545262 QVYXVQYMWQRSCJ-IAGOWNOFSA-N 418.542 1.121 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1764920072 UPMORHJXJCZRGP-ZWKOTPCHSA-N 411.510 1.485 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1767097624 DGAVHUYGBOSKGW-OAQYLSRUSA-N 420.452 1.836 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCC(F)F)CC1=O 1769077818 SFVCBVDFHNYYHO-UHFFFAOYSA-N 420.420 1.289 30 10 HDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1769202671 AJOLWSGAGZZJES-HNAYVOBHSA-N 412.494 1.441 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1769273228 STDWUMIGFFTUOL-OXJNMPFZSA-N 414.441 1.832 30 10 HDEE COCc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1769341747 HRPZBHCERPERFE-RDJZCZTQSA-N 401.442 1.845 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2)nnc1N1CCC(C#N)CC1 1771358640 OALQCMNQIVHBBN-UHFFFAOYSA-N 403.508 1.746 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)c1 1848716465 FJQTZHNGYZUORI-UHFFFAOYSA-N 418.906 1.839 30 10 HDEE COCCn1nc([C@@H]2CCCN(CC(=O)Nc3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1848935048 QZFNVPIACQZVMT-QGZVFWFLSA-N 424.505 1.716 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC[C@@H]1CN(C)C(=O)CO1 1850225463 IQIWTXOYILIYLC-VQTJNVASSA-N 404.507 1.369 30 10 HDEE CN1CCN(c2nc(NC(=O)c3c(F)c(F)nc(F)c3F)c(C#N)cc2C#N)CC1 1851778540 RCMLGZGWSRKVHL-UHFFFAOYSA-N 419.342 1.780 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H](N2CCS(=O)(=O)CC2)C(C)(C)C)nc1C 1852051912 NPHQHVTVFDUIGB-KRWDZBQOSA-N 420.535 1.572 30 10 HDEE N#Cc1cc(Cl)c2nc(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cn2c1 1852403718 HZXMBIJGOJBURV-UHFFFAOYSA-N 422.876 1.938 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)N3C[C@@H](C#N)CC3=O)CC2=O)CC1 1853116301 CCRNZPZQNFTUGL-KGLIPLIRSA-N 404.467 1.133 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cc(=O)n3ccccc3n2)[C@@H](C)OC)CC1 1853419299 LKQLLXQPGSIVFW-CQSZACIVSA-N 420.491 1.588 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3cccnc3n2)C1=O 1853804188 DCHUVJIKFXLDOL-MSOLQXFVSA-N 407.474 1.480 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1=O 1853886687 FFDKICLCKHMTRI-CYBMUJFWSA-N 421.475 1.093 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)C[C@@H]3COCCO3)ccc21 1854400881 IXNDTSWHLDXZAG-MRXNPFEDSA-N 422.503 1.495 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3coc(C)n3)C3(CCCCC3)C2=O)CC1=O 1855175014 GXAGUVOWIXAKMB-QGZVFWFLSA-N 414.506 1.891 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C1=O 1856042129 ZTZAUCGMXFQFKE-CVEARBPZSA-N 402.520 1.547 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccccc2-n2cccc2)CCN1S(=O)(=O)CC#N 1856118559 JRNCROYNCOZAIB-UHFFFAOYSA-N 400.460 1.394 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnc([C@H]4CCOC4)o3)[C@H](C)C2=O)cc1C#N 1856252414 MOUBGRGNJFIJEP-ZBFHGGJFSA-N 409.446 1.627 30 10 HDEE COc1ccc2nc(N3CC(C(=O)N4CC[C@@H](N(C)CCC#N)C4=O)C3)sc2c1 1856541936 BFOWBQJCVFDJME-MRXNPFEDSA-N 413.503 1.714 30 10 HDEE CN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)C3(CCCC3)C2=O)CC1=O 1856600806 WGQQIHOYVDJOCA-QGZVFWFLSA-N 412.465 1.659 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1856635866 VOGJYNSKGGONIA-GOSISDBHSA-N 419.503 1.900 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(C[C@H]4CCCOC4)C3)CC2=O)cc1 1856849001 ULUTZHJWHCFHBG-NHCUHLMSSA-N 410.518 1.272 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccc(Cl)n2)C1)[C@H]1CCN(C)C1=O 1857068206 MFKZCEYHELFJDV-ZBFHGGJFSA-N 404.898 1.833 30 10 HDEE Cc1noc(C)c1CN1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)C1 1857291441 LNWWLRCKGYAXLU-LJQANCHMSA-N 407.474 1.722 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)s1 1857506208 NHIBSBKYKMNAOW-ACJLOTCBSA-N 409.467 1.961 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858335914 PHTDZBZBCJYYEO-QGZVFWFLSA-N 419.528 1.917 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CN1C(=O)c2ccccc2C1=O 1861521630 HUWDPZJBTRHXTP-SFHVURJKSA-N 407.426 1.018 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 1861603677 HSZYORKPCAUNFI-PZJWPPBQSA-N 421.497 1.770 30 10 HDEE COCCc1nnc(SCCCO)n1/N=C/c1cc(OC)c(OC)cc1OC 1874474159 PQNRRNUXEPEFDN-XDHOZWIPSA-N 410.496 1.850 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(C(=O)N[C@H](CCS)C(=O)O)no1 2180221660 RZGSDHKSHRKINU-NXEZZACHSA-N 400.457 1.645 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1)C(F)(F)F 2180829067 LOZZBBCWZYDFAO-JHEQGTHGSA-N 404.229 1.615 30 10 HDEE C[C@H](C1CC1)N(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2181052180 CZNSRJYCHUEQQQ-UKRRQHHQSA-N 401.529 1.855 30 10 HDEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](C)S(C)(=O)=O 2186591500 PFBJRULIJRMRIJ-RYUDHWBXSA-N 401.359 2.000 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCOCC1 2195308193 SSPXXZKJSRAJJR-CHWSQXEVSA-N 404.529 1.832 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)C[C@@H]2[C@@H]1CO 2235549542 LLVGRCMEGHUIBO-UBHSHLNASA-N 413.521 1.468 30 10 HDEE C=CCN(CCC(=O)N1C[C@@H](S(N)(=O)=O)CC12CCC2)C(=O)OC(C)(C)C 2239520243 IGZNFUJWAOUCPY-AWEZNQCLSA-N 401.529 1.612 30 10 HDEE CCOC(=O)CS(=O)(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2241208641 RXWKUHVXFBCUOD-UHFFFAOYSA-N 404.681 1.339 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2243332292 LFSBOQPCAPLNQK-KBPBESRZSA-N 405.304 1.773 30 10 HDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825528 FXYIGQSFSKAPEW-TZMCWYRMSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248054437 IENCBDRWQFFUQO-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2258169829 JZISXULLMDEEKY-SJORKVTESA-N 408.476 1.335 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)[S@](C)=O 2267411523 ZYMNEVFIARTTSI-ZZDSUILFSA-N 407.388 1.401 30 10 HDEE N#C[C@]1(C2CC2)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270530789 KFIMPRVTJGOQCU-VQIMIIECSA-N 421.475 1.321 30 10 HDEE C[C@@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2279346097 ZIWFXJGNKIERFF-CHWSQXEVSA-N 400.375 1.840 30 10 HDEE CC[C@@H]1CCNC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339413 YDZXWZNYWXOKGS-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE CN(C)C[C@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282416657 ZFRSTZUVYYNLTP-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CNC[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498710 IFFWCEQZTWQZBW-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CN(C)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498783 JMMDMLQZTAQLIR-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCC3(C2)OCCO3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548234 WULCRNIJYFCNLH-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2C[C@](F)(CN)C2)OC1(C)C 2282870745 XCUZIZDGRXFJHK-AITUWYQGSA-N 404.338 1.403 30 10 HDEE C=C(CS(=O)(=O)N1CCSC[C@H]1C(=O)OCC)B1OC(C)(C)C(C)(C)O1 2282882815 RBYQSSYDVYFKCJ-ZDUSSCGKSA-N 405.347 1.484 30 10 HDEE Cc1nc(O)sc1S(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2284063767 SYIXILOLLWRNFB-UHFFFAOYSA-N 416.355 1.996 30 10 HDEE C[C@@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284395780 PLEHFEFRXIPCRC-MNOVXSKESA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@](C)(C(=O)O)C3)c2)OC1(C)C 2284398192 VJYGWJCDZCMBDP-INIZCTEOSA-N 401.315 1.533 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C(C)(C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284402263 HYAQRTORYSQCLU-UHFFFAOYSA-N 403.331 1.839 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@](C)(O)CC(=O)O)c2Cl)OC1(C)C 2284444124 NTRXYDHVVHEBDL-MRXNPFEDSA-N 403.693 1.656 30 10 HDEE CC#CCN(C[C@H](O)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2328467902 KNFQTPNFPHDBCY-LBPRGKRZSA-N 417.304 1.981 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccc[nH]1 2330770296 NWLWPGQLJTZNAJ-UHFFFAOYSA-N 403.512 1.666 30 10 HDEE CC(C)(C#C[C@H](N)[C@@H](O)c1cccc(I)c1)S(C)(=O)=O 2365210995 MBZGYXFDQJGKPA-STQMWFEESA-N 407.273 1.479 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2365213756 WIOGJQAJBXZTKQ-HUUCEWRRSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CC[C@H](C)O1 2367791799 ZVJODGXXOCFTSG-FZKCQIBNSA-N 400.541 1.616 30 10 HDEE CN(C[C@]1(O)C[C@H]1C(F)(F)F)C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F 2370376573 FZPNADSNFHHGMA-HFHMMWAZSA-N 404.229 1.758 30 10 HDEE C[C@@H]1[C@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2370678431 QBCFQOCFDCJCQZ-OUCADQQQSA-N 401.359 1.827 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 47194563 JDLWKIBYYBMHBO-UHFFFAOYSA-N 410.474 1.662 30 10 HDEE N#CC(=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1 254518167 YCOVYMUXNWGZJH-UHFFFAOYSA-N 415.431 1.955 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2nccc(C#N)c2B2OC(C)(C)C(C)(C)O2)C1 382071947 SJEBYHJLCJRIOB-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)n1cnc(C#N)n1 409867772 LLTXYFBLUDNEMU-HZMBPMFUSA-N 403.240 1.173 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)n1cnc(C#N)n1 409918065 FMMPEVJXFCHUOD-UKRRQHHQSA-N 410.482 1.969 30 10 HDEE CNC(=O)COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c1 434960073 PXOFMTJUOAUTAM-UHFFFAOYSA-N 408.462 1.741 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461754835 JEEDENYQXNRCJK-UHFFFAOYSA-N 406.402 1.525 30 10 HDEE C=CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 468365187 RWNAOHHZDAXXAS-UHFFFAOYSA-N 411.499 1.521 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3CCN(C(=O)c4ccoc4)CC3)CC2)c1C#N 471704053 BSEPCZPGQLFNED-UHFFFAOYSA-N 410.478 1.394 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(N3CCOCC3)n2)c1 478904509 UPVILLYLKKNCLZ-UHFFFAOYSA-N 416.503 1.313 30 10 HDEE N#CC1(NC(=O)Cn2nnc3ccccc3c2=O)CCN(Cc2ccccc2)CC1 479246612 OSNRGRGPSGSPQE-UHFFFAOYSA-N 402.458 1.466 30 10 HDEE COC[C@](C)(CCO)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 483085343 WGDATEASJGFNIX-FQEVSTJZSA-N 402.451 1.926 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)cc2)CC1 500836275 NEYFNOCAADEPGO-SFHVURJKSA-N 403.504 1.508 30 10 HDEE CCC[C@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 502530716 OETZANREVXXPLT-WMZOPIPTSA-N 405.520 1.986 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1 503641391 GZFHFOXFCJMJRK-HNNXBMFYSA-N 422.407 1.638 30 10 HDEE N#Cc1ccc(OC2CCC(NS(=O)(=O)c3cccc(C(N)=O)c3)CC2)nc1 507906232 QMFDLICOYUSFEB-UHFFFAOYSA-N 400.460 1.721 30 10 HDEE CSC[C@](C)(C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 508051117 CYHCAOZXNJYRIJ-HNNXBMFYSA-N 403.551 1.395 30 10 HDEE C=CCn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 508467244 XRHAJLHUCAAJTM-UHFFFAOYSA-N 416.913 1.958 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 508657002 DFTJLWPVPYDRSM-MOPGFXCFSA-N 421.567 1.349 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N(C)CCC)cc2C1=O 522898906 WOLMHPPYSBSNOJ-MRXNPFEDSA-N 401.488 1.852 30 10 HDEE Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)c1 523305837 LKXUWSYONVKRBT-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE CSCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C(C)C)c1=O 530317948 SVTHHKPPRRPFTR-UHFFFAOYSA-N 416.572 1.922 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NC2(C#N)CCSCC2)CC1 534465063 JXOMMZLLEODLOB-UHFFFAOYSA-N 411.553 1.333 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc(CO)c(F)c3)C2=O)cc1 535997797 FNTYRCYAOQTJIN-SFHVURJKSA-N 410.405 1.711 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c[nH]c3cccc(Br)c23)CC1 539112368 UQVNHWQIPOOODR-UHFFFAOYSA-N 405.296 1.990 30 10 HDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 546567884 PGMGZMJVVAUDPK-GOSISDBHSA-N 417.487 1.896 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cnc(C(=O)OC(C)(C)C)cn3)CC2)c1C#N 554961708 KZWMRASXPBQTDT-UHFFFAOYSA-N 411.466 1.308 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1 573999545 AYRSGTOWWPIYOY-LJQANCHMSA-N 419.489 1.371 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(C3)Oc3ccccc3O4)CC2)o1 582450528 WSPQYBGEQMNIQZ-UHFFFAOYSA-N 409.446 1.377 30 10 HDEE C[C@@H](c1nccs1)N1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586864412 UPKHPELFXBBHMY-ZDUSSCGKSA-N 401.467 1.675 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1C 727415429 PBJNLEGARURTJI-UHFFFAOYSA-N 405.479 1.914 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1)[C@H]1CCS(=O)(=O)C1 729332740 WNCKJKAIGLTETG-ZBFHGGJFSA-N 406.529 1.410 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)[C@H]1CNC(=O)N1)CCCC2 732364441 ZIQDBMCJAJBQQW-MRXNPFEDSA-N 407.430 1.391 30 10 HDEE CC(C)OC(=O)[C@@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 736270863 FHTPCDMLEUNFAJ-HNNXBMFYSA-N 407.492 1.448 30 10 HDEE CC(C)CNC(=O)N1CCC[C@H](C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 741432294 PBULALDHTQOSJF-INIZCTEOSA-N 406.508 1.582 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)cc1C#N 747499086 VTKUJKRWUUDLJO-UHFFFAOYSA-N 421.501 1.569 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cccnc3-n3ccnc3)C2=O)cc1 753061310 KPVNVHWOKRVAKD-LJQANCHMSA-N 415.457 1.739 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1 766852176 PJGIXWAMURGPEQ-HKUYNNGSSA-N 418.519 1.613 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 769744914 ZZIWKGHFWZMJSE-ZDUSSCGKSA-N 412.309 1.665 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 774250429 MBSVKOAGKHIYRQ-RTBURBONSA-N 417.531 1.052 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1 788694867 ZFTKTONIWZGTMB-UHFFFAOYSA-N 412.855 1.915 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)n1 789103731 BRZVZDBVIZILHD-WOJBJXKFSA-N 403.527 1.318 30 10 HDEE COC(=O)[C@H](OC(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 796177760 QYAAMFVVJXDOMP-LJQANCHMSA-N 416.455 1.809 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1 801616264 DRNJKUBVRVHGGG-DOTOQJQBSA-N 418.494 1.952 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(O)(c2ccc(Cl)cc2)C1 802666659 VLZSERSOXSQWTF-UHFFFAOYSA-N 419.890 1.499 30 10 HDEE CCOC(=O)C1(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 803832236 WZZRCYMSTHXACV-KRWDZBQOSA-N 400.431 1.957 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCN1C1CC1 804997189 UKEINIMOMLIIAY-GFCCVEGCSA-N 423.438 1.341 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 805092720 VGZLJWXXHGGTMK-RUDMXATFSA-N 412.471 1.650 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2nocc2C(=O)OC)c1 808266473 HWNVWXQQEUEPBP-UHFFFAOYSA-N 405.432 1.038 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 813753550 GKUCTWABYJNHGN-ZWKOTPCHSA-N 413.478 1.363 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(F)cc1C 815034186 GXCABPCBEMZOEW-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)o1 915416374 DEUFDMJAFRRMRT-XYEKJYRLSA-N 411.480 1.664 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cc1nc2ncccn2n1 919147743 BDCJPQDFZNCMOK-AWEZNQCLSA-N 408.418 1.554 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCCC(=O)NCc1ccco1 1084587784 KXCRVEGTJLSUTD-UHFFFAOYSA-N 401.452 1.535 30 10 HDEE CCCNC(=O)CN1C(=O)C(=NNS(=O)(=O)c2ccccc2)c2ccccc21 1084630282 QCTCXCNRXFEWET-UHFFFAOYSA-N 400.460 1.242 30 10 HDEE CO[C@]1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCS(=O)(=O)C1 1133985064 YONKJPVLESBWIS-IBGZPJMESA-N 404.444 1.664 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1135538296 PBJLAEVXUXFXME-UHFFFAOYSA-N 420.422 1.380 30 10 HDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@@H](C)N1CCO 1140911274 GIIPXZQBSCOYNG-OKILXGFUSA-N 421.339 1.670 30 10 HDEE COC[C@]1(CO)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1140962158 YZUIKKXWDSKQEQ-HXUWFJFHSA-N 413.434 1.843 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)c1 1142791382 UWRIDIGMSFTRAU-GOSISDBHSA-N 415.446 1.654 30 10 HDEE COCCN(CCN(C)C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1144874484 LKVPMJZFCZPTAP-UHFFFAOYSA-N 409.328 1.794 30 10 HDEE CSCC[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1nn[nH]n1 1148260123 DGFXHEOETMJUFU-LBPRGKRZSA-N 411.285 1.823 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC 1151573847 LZLINPXOMZXWER-WFASDCNBSA-N 413.883 1.416 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)c2cc(N3CCOCC3)ncn2)CC1 1154721880 ACMJIEUORPKODP-UHFFFAOYSA-N 408.462 1.700 30 10 HDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1Cc1ccccc1 1157885308 PFLDJLQAEFXPFH-LAUBAEHRSA-N 412.515 1.894 30 10 HDEE CCCCn1c(CCC(=O)N[C@H](C#N)CO)nc2cc(S(=O)(=O)N(C)C)ccc21 1157963305 MHDWNYQACXNPHA-CQSZACIVSA-N 421.523 1.020 30 10 HDEE COc1cc(C(=O)N[C@H]2CCN(O)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 1159325500 WYHSSVXAJDTSJH-AWEZNQCLSA-N 401.375 1.902 30 10 HDEE CC[C@@](COC)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1160930251 IECORENZEDVNHL-HCWAXHENSA-N 423.510 1.858 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1162496975 XQYYLIDWOKVGIT-QGPMSJSTSA-N 419.503 1.195 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 1167988566 MUJCPYYPXNXUOA-AWEZNQCLSA-N 421.519 1.853 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 1175853611 GQCIADUQVMYCGT-UHFFFAOYSA-N 408.520 1.716 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)C1 1177754588 KBMNKTRHFVRHLT-INIZCTEOSA-N 407.536 1.599 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1194336930 RURUIOWVTHOOHE-HUUCEWRRSA-N 422.407 1.659 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)N(CCC#N)c1ccc(C)cc1 1196807415 NJWZOGCACFFHLH-FUHWJXTLSA-N 421.519 1.292 30 10 HDEE Cn1cc(C#N)c(NC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)n1 1201264330 CCTQLKWLGWKLEM-UHFFFAOYSA-N 423.521 1.785 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CC1 1201593516 ZWZDIYWGLTTWNM-MRXNPFEDSA-N 405.524 1.339 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)c1cnn(CCOCC)c1 1282783426 NFRXBBGOYIXRLV-QQXKLLMISA-N 402.495 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1286277861 ILFKSRILPXQXLJ-CVEARBPZSA-N 419.551 1.906 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1286299486 WBTFJGZTYKAFOO-SJORKVTESA-N 407.584 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1286301410 DQMZSDRFKCMWJE-INIZCTEOSA-N 416.493 1.622 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286347926 DNXWRYRKXHOGRW-QFIPXVFZSA-N 421.505 1.876 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)[C@@H](C)CC)CC1 1286484447 KUOKMHZSESDQMM-IBGZPJMESA-N 412.586 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286490278 PKVCDRYUVWRAJV-PXNSSMCTSA-N 422.533 1.857 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1286523731 CMEHPIZDWJKNOB-HXUWFJFHSA-N 419.526 1.939 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1286536651 REWSSOCCMXXJRQ-MLGOLLRUSA-N 411.348 1.484 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1286595585 DRMQXHDLBVVOOC-LJQANCHMSA-N 404.540 1.731 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286606138 HXEANOWIIHNDAE-RDBSUJKOSA-N 417.432 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCN(c2ccccc2)CC1 1286822574 GIRSMMWBNIYYKN-UHFFFAOYSA-N 419.551 1.742 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287002758 NMCXMZFLRBFLTD-LVWMNBHTSA-N 414.510 1.719 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1295057309 ADXHVLRFVVLADI-GFCCVEGCSA-N 422.287 1.243 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C#N)CO)n2CC 1297880753 UBHMKXXQYSHSTB-AWEZNQCLSA-N 421.523 1.020 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@@H]1CCN(O)C1=O)C2 1298424107 DQANYSPUAMMOCG-OCCSQVGLSA-N 421.450 1.476 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1300338909 IXFFAQSNXZIPBW-INIZCTEOSA-N 409.494 1.691 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1300382373 RJWWRQUVTWRCHD-ROUUACIJSA-N 403.527 1.994 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1noc(CC)n1 1300459879 XMQMNPOBWOFDDF-UHFFFAOYSA-N 421.509 1.710 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1300495084 CMDGLTWPRNPJBA-ZWKOTPCHSA-N 404.536 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1300578721 GZXCCQXBPHBCRN-QGZVFWFLSA-N 410.522 1.341 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(N(C)C)nc1 1300621003 JHYVPUYQBVJUBF-UHFFFAOYSA-N 407.478 1.975 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)COCCO1 1300786161 DNOVNUOSTFIINK-NJDAHSKKSA-N 404.511 1.728 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300983504 KEUVGGHLLBUZAY-HDICACEKSA-N 417.558 1.817 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301229353 PQEQWXNUXLILQE-OAQYLSRUSA-N 402.543 1.668 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1301429304 SPQBQWJDTSEXRO-ZDUSSCGKSA-N 424.527 1.076 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1301491340 QBCYSAYQORSHHI-HOTGVXAUSA-N 401.515 1.621 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NCCC)C1 1301536238 SKCNVMYECJOQSX-MRXNPFEDSA-N 404.515 1.212 30 10 HDEE N#Cc1cc(C(=O)N2CCN(c3ncc(I)cn3)CC2)co1 1302137412 OKSBYXRLYBCLDP-UHFFFAOYSA-N 409.187 1.508 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)C1 1302978589 JIFKZOUZCXWQGR-SFHVURJKSA-N 417.399 1.666 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1cccc(C(N)=O)c1 1303362054 HVZKWRJRYMZBGU-UHFFFAOYSA-N 409.494 1.694 30 10 HDEE CN(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1cccnc1 1303900134 RVXTZMWYFSVLGB-MRXNPFEDSA-N 414.491 1.072 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1303933105 FWHGOGWSROBAJV-IIBYNOLFSA-N 413.526 1.666 30 10 HDEE C=CCc1cc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)cc(OC)c1OC 1305005451 BGOKSNOQDGAKMA-INIZCTEOSA-N 413.478 1.445 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@@H](C)O)nnc12 1306843076 VUQVUFJTQKCGEV-TZMCWYRMSA-N 401.492 1.598 30 10 HDEE N#Cc1ccnnc1N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1306920064 ULMIHHDMVKAAEU-UHFFFAOYSA-N 414.310 1.683 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCN(CCC#N)CC3)c2)C1=O 1312687630 RDXQAMBNIABWLK-JOCHJYFZSA-N 424.505 1.652 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)C1 1320185030 FWDYMXATNXNSHJ-CQSZACIVSA-N 408.886 1.967 30 10 HDEE Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cnn1CCC#N 1350907540 HUDWSRHUVSAFEY-UHFFFAOYSA-N 403.464 1.378 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2ccc(C#N)n2C)CC1 1358417491 VNGKGLOPORDAKE-UHFFFAOYSA-N 415.538 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCOC1 1358976953 YIOLZJQBZXKYQP-QGZVFWFLSA-N 416.485 1.691 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCCO)CC1 1359044514 IFCSTRWCDHXYPY-GOSISDBHSA-N 403.527 1.301 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CC1 1359165008 FBOIRBKAAXVHKL-HNNXBMFYSA-N 409.556 1.499 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1359262658 AKOBFRPEVVGZAU-OXJNMPFZSA-N 416.551 1.550 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359288727 UHYJEQLLTAWFBU-UHFFFAOYSA-N 403.494 1.690 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(c2nc(C)no2)CC1 1359299457 FXNZIYLQKRNVOD-MRXNPFEDSA-N 415.498 1.550 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N2CCOCC2)C1 1359319958 JOXCOMIKBIAILP-CEXWTWQISA-N 405.543 1.674 30 10 HDEE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1454874131 DZYHBCICVCIWSG-KUHUBIRLSA-N 402.470 1.402 30 10 HDEE N#Cc1c[nH]ccc1=NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1456112645 MYYSZNYBEOIQLX-UHFFFAOYSA-N 412.247 1.847 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCOCC1 1459881078 IWTUGXWFWIHMSQ-MOPGFXCFSA-N 420.941 1.555 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(Br)c(F)c2F)CC1 1459886098 JFDCUWPMNSURRO-UHFFFAOYSA-N 408.268 1.313 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)NCCNc3ncccc3C#N)c(Cl)cc21 1462929723 ZNLQAIQKSSTBRB-UHFFFAOYSA-N 419.894 1.906 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCSC)NC(=O)COc1ccccc1)C1CCOCC1 1470311886 KTHHDRSQSPHLSS-MOPGFXCFSA-N 404.532 1.848 30 10 HDEE N#Cc1cncc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1471967648 NKOAULUGKSLXPV-GOSISDBHSA-N 404.430 1.119 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCCONC(=O)OC(C)(C)C)cc1 1472143174 MMUGRFASJVNHLG-UHFFFAOYSA-N 413.496 1.727 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCCCCCNC(=O)OC(C)(C)C)CC1 1473348260 XKSHTJRTLZSXFH-UHFFFAOYSA-N 402.561 1.157 30 10 HDEE CCCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1501201247 CVBRLUAVNFIFLT-INIZCTEOSA-N 421.461 1.855 30 10 HDEE CCOCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503190338 ZRHCIVQACFSPGF-HTXNQAPBSA-N 411.466 1.339 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1503275488 XAUWASUSHFHGRR-HNNXBMFYSA-N 418.523 1.371 30 10 HDEE CN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1503485086 PXPXYBXSGMMREH-RWNPKEDZSA-N 422.489 1.945 30 10 HDEE COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)c1 1504059946 AUSURWDQXZMZRE-GJZGRUSLSA-N 420.539 1.992 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1504810311 YIHKLJGLUNPFKZ-UHFFFAOYSA-N 410.400 1.968 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1507513620 AURHXAGKQVIIRM-QWHCGFSZSA-N 408.553 1.511 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1507552919 ALPXLECTPHCXAS-LSDHHAIUSA-N 410.434 1.843 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(C)C)C(=O)C1 1507596369 INVOLKDOOHGFQY-HKUYNNGSSA-N 403.527 1.720 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC1CCCC1 1507616687 MBKSVDAKKMRHOP-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1507625126 GNVLJYCDNPTBQK-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507632310 YZOVQJGQNQNDDA-HUUCEWRRSA-N 405.549 1.653 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(F)cc1 1507712908 SRONURRSXIRXIY-YJBOKZPZSA-N 415.469 1.922 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(C)CC2)CC1 1507733548 CCYPTFUPUZSMSC-UHFFFAOYSA-N 414.554 1.962 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1507869994 BCMXYJTXQSKRAY-UHFFFAOYSA-N 406.918 1.744 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1507872659 FCTDBFYBNHOSOT-LPHOPBHVSA-N 413.950 1.840 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](COCC)C1 1508137292 MEQBTCJTMQMOQU-INIZCTEOSA-N 405.524 1.804 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1510305810 SRHIPSJIIFMRKZ-KSFYIVLOSA-N 421.505 1.433 30 10 HDEE CCN1CC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1515849083 KCHILECHPLTJQK-BBTUJRGHSA-N 418.542 1.389 30 10 HDEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CCOCC1 1527985256 OSPWQNWWFNITAZ-UHFFFAOYSA-N 410.540 1.371 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2Cc3ccc(C#N)cc3C2)C1=O 1530404535 XGPVQHBYMXAMEZ-QFIPXVFZSA-N 404.426 1.876 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1532420626 LSHQIUXRTYUZEO-CYBMUJFWSA-N 404.410 1.577 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(-c4noc(C(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1536179575 KNUINPNMZLBFKX-SJCJKPOMSA-N 408.386 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncccc1N(C)C 1539238326 VTQUYDHWXDJYOQ-JOCHJYFZSA-N 408.506 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1c(CC)nn(C)c1OC 1539312357 OWQCTLBQBAPITR-UHFFFAOYSA-N 404.478 1.551 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539336766 FPYKIXWFHXUSAC-SFHVURJKSA-N 422.537 1.778 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1539362198 SBDDYRPHKJONLH-GDLZYMKVSA-N 412.519 1.420 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1539446411 YCNGVEPUSCZSAP-WOJBJXKFSA-N 422.581 1.858 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1539517494 OXOLYMKHIPNIOD-LSDHHAIUSA-N 412.581 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1539547946 AKXJFVNGSUEOBG-JOCHJYFZSA-N 414.473 1.962 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1539667694 PONLMMHEDMRXLL-UHFFFAOYSA-N 420.404 1.103 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1539955453 YDVKKAJEHACFMU-KRWDZBQOSA-N 421.509 1.979 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(N)=O)c2)C1 1540881555 MCZAEPGQFKTYJX-GOSISDBHSA-N 424.505 1.443 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1541724725 WMGNXYXZLUGDCH-NHCUHLMSSA-N 416.526 1.537 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1542174044 XDVAEGSUCBSGCA-SJLPKXTDSA-N 410.478 1.481 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS[C@H](C)C1 1554504514 FECWSAIIORWCIA-CYBMUJFWSA-N 406.537 1.308 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(OC)CCOC1 1555628850 LMMDVURLFUDWMF-OXJNMPFZSA-N 407.515 1.938 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)C1 1555781818 QYBWMXBMHPWNHL-SFHVURJKSA-N 406.446 1.951 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C2CCC2)CCO1 1555994560 XUONUBYVQIZGBV-IAGOWNOFSA-N 402.499 1.207 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)cc1 1557101812 AXZKOMMAEGKNHE-SFHVURJKSA-N 401.444 1.628 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCc3ccccc3NC2=O)cc1S(=O)(=O)NCC#N 1557296192 ZSYSWBBIUJSCEZ-KRWDZBQOSA-N 412.471 1.480 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1557770773 UURLMXMTUJHBHL-CQSZACIVSA-N 417.325 1.662 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(O)CCC2(CC1)OCCO2 1558439581 ALLQHMZECPUAGF-OAHLLOKOSA-N 411.499 1.738 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)C2)nc1 1558464823 OTFFPWGTGLUECG-SFHVURJKSA-N 418.457 1.722 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)c3ccc(OC)cc3OC)CC2)c(C#N)n1 1559078324 BZKPSMAZTOULFH-UHFFFAOYSA-N 410.430 1.719 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1 1565345380 LNPVDSZVILEGME-GOSISDBHSA-N 402.564 1.926 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1C#N 1565346750 WSDMMOQFCPEPKC-UHFFFAOYSA-N 422.518 1.989 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCN(c3ccsc3C#N)CC2)ccc1OC 1584481671 AZXQTXKZMALMOW-UHFFFAOYSA-N 420.516 1.499 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1585296913 NRPISNIJIOYFSB-OXJGYNLJSA-N 406.483 1.568 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CN(C)C1=O 1587581270 ZDXGBJBRZNZSRO-JLTOFOAXSA-N 415.519 1.285 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCOCC2)C1 1587807369 BUWVDYLTNPBLIT-INIZCTEOSA-N 409.556 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1=O 1587945387 JGKJCFLJRWXZDS-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1588034847 MJYMEXZLIHEKBI-LJQANCHMSA-N 401.536 1.522 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588034888 NCVVIVBFJZJYLO-POAQFYNOSA-N 407.584 1.724 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1593696688 VPGYVQWAPYIBGG-MRXNPFEDSA-N 404.515 1.761 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1593735522 JKDPJEPWHHYUAX-MSOLQXFVSA-N 400.483 1.712 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1594566165 ALPLKEDUDCATPV-KSSFIOAISA-N 410.544 1.104 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(c2nccs2)CC1 1595523093 PJYQLDDZKYUWGX-UHFFFAOYSA-N 424.534 1.816 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CCO1 1596674017 HQMJEJSEEPHFAL-HXUWFJFHSA-N 424.505 1.870 30 10 HDEE C#C[C@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1603639242 GHPHNYWLXZVCHV-AWEZNQCLSA-N 408.480 1.708 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)COCCO2)CCOC1 1610337528 SXSDFKSDICQGLJ-FFZOFVMBSA-N 407.515 1.863 30 10 HDEE CC(C)N1C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1610900821 SWPKYGNXMPXTOJ-WZHMAMEKSA-N 404.511 1.899 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cc2S1(=O)=O 1624870931 ROYVQKJWCCXKDF-AWEZNQCLSA-N 413.381 1.422 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1626206065 WAOHQRYZMCPJHX-INIZCTEOSA-N 404.513 1.743 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 1626312946 DRBFHOIXIUSPHT-KXKDPZRNSA-N 404.438 1.668 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1626855712 JJCNBPWQSIGSHX-KRWDZBQOSA-N 406.454 1.469 30 10 HDEE CN1C[C@H](C(=O)NCc2cccc(OCC#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1628995834 FCSAMZSOEGRYIQ-MRXNPFEDSA-N 402.451 1.283 30 10 HDEE N#CC1(CC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCOCC1 1630300895 RSYREWSXNYTMMJ-KRWDZBQOSA-N 421.519 1.471 30 10 HDEE Cn1cc(C[C@@H](CO)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1635264904 FXPXAEWCKCLYON-GOSISDBHSA-N 404.511 1.338 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCN(C)CC1 1637068788 BGSKPQAYRBFKNK-SFHVURJKSA-N 420.554 1.894 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc4c(cc3Br)OCO4)C2)c(=O)nc1O 1637516048 YQDNTLQSBBDORR-UHFFFAOYSA-N 419.191 1.009 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CCOC1 1637686781 IRBXZVBSXFBGAD-SJORKVTESA-N 417.311 1.850 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2)cn1 1637980608 FUHUWRBYEPMGSK-UHFFFAOYSA-N 405.462 1.515 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)C1 1640219658 WLUNIRMSKWWBLS-GOSISDBHSA-N 402.520 1.554 30 10 HDEE C#CC[C@@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC 1642414912 HKABUXOLPFNTFE-MRXNPFEDSA-N 416.478 1.433 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)cc1 1643675575 ZYBCNHPPKFZIPN-USXIJHARSA-N 421.519 1.889 30 10 HDEE CCOC(=O)c1c(C)nc(O)nc1SCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1644203312 GNDULLGVBBGDJQ-AWEZNQCLSA-N 421.523 1.452 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)c1C#N 1645674498 WTBMKAYPWKRQKP-NRFANRHFSA-N 416.547 1.898 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 1648533453 UJSSJPRYEIMBQL-GDBMZVCRSA-N 421.519 1.726 30 10 HDEE COc1ccc2nc([C@H](C)NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)[nH]c2c1 1650961501 VQOZXKWXIUUNPS-LBPRGKRZSA-N 413.459 1.599 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N(O)Cc2ccc(F)cc2)cc1 1651238241 UFKGAHUVBQJOTE-UHFFFAOYSA-N 410.423 1.699 30 10 HDEE COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 1651258455 TYVRDRWTMDOYOU-MRXNPFEDSA-N 407.492 1.322 30 10 HDEE COc1cc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 1653299394 XGQJTMVJKZNGQD-HNNXBMFYSA-N 414.462 1.517 30 10 HDEE N#C[C@@]12CN(CCOc3cc(F)cc(Br)c3)C[C@H]1CS(=O)(=O)C2 1654889290 VLJAHMUZRPMKGQ-NHYWBVRUSA-N 403.273 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CCCC2(C#N)CCOCC2)C1 1659657155 ZZZAYLDDUNBJJX-UHFFFAOYSA-N 406.527 1.898 30 10 HDEE CCOC(=O)C1([C@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCOCC1 1660421110 BCVKMWOHMFGFLJ-ROUUACIJSA-N 408.543 1.017 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)cc1 1661908017 GPJSFJKMURTGPJ-KRWDZBQOSA-N 422.503 1.841 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C(=O)OCC 1663905274 KZWQNXVLHPDYFT-AWEZNQCLSA-N 416.521 1.304 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(S(C)(=O)=O)c2)c1 1663932327 XGNVKJKQPKSFRU-UHFFFAOYSA-N 408.501 1.484 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC)C1CCOCC1 1667902898 LQPVQBPDZKZNGD-SFHVURJKSA-N 414.506 1.633 30 10 HDEE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 1670162656 DHYMSKSXXYPOKO-QWRGUYRKSA-N 418.841 1.585 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@H]1CCCN(CC(F)(F)F)C1=O 1680781643 KGAKXEMHTWOSIA-NKWVEPMBSA-N 401.254 1.397 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OCC 1681877110 HPYHKQFKGMDUSB-CYBMUJFWSA-N 415.450 1.678 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1682373476 IULVANGZTQLCLC-JKSUJKDBSA-N 423.514 1.120 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1689873763 VWYQTRHQQJKTGD-SFHVURJKSA-N 411.510 1.629 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1689888183 CHVVJAMJOLMOJV-UTKZUKDTSA-N 411.510 1.518 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1689924779 UAOPHLWTZIIJHO-UHFFFAOYSA-N 422.493 1.787 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1689946075 MMTFKPCAXIHISD-OAHLLOKOSA-N 415.523 1.398 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689975213 OLRUAVNPGGJCQQ-KRWDZBQOSA-N 417.535 1.516 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)C(=O)NCC)[C@H]1CCS(=O)(=O)C1 1689988587 RYIUOCYYNKEERJ-INIZCTEOSA-N 421.567 1.335 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1689989625 HKGZQWIMPQJSHU-DLBZAZTESA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCn1cc(Cl)cn1 1690015094 AGSYNCUCQRRJHE-UHFFFAOYSA-N 411.853 1.629 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1690043480 CJNYZXMHXSWPPC-OAHLLOKOSA-N 415.457 1.335 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1690088076 ASAKVYNINYNMEP-CQSZACIVSA-N 423.514 1.438 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)c1c(C)noc1C 1690092801 WOXABDSNSGSPRT-CQSZACIVSA-N 402.499 1.911 30 10 HDEE C=C(Cn1c(CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1)c1ccccc1 1690324152 KEIUBSXQYHJVJH-UHFFFAOYSA-N 410.522 1.727 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690483953 ZRRCWLJTCAGJIR-CVEARBPZSA-N 402.499 1.611 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690507344 KDJQGAIPXNXOTM-JKSUJKDBSA-N 402.499 1.023 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1690674223 SYWAGZUYGIKSHD-KRWDZBQOSA-N 402.543 1.808 30 10 HDEE C[C@@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1692695268 HCJPBKGZYNHZGD-LIRRHRJNSA-N 420.514 1.741 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCCCO)cc1 1698487901 FBVBMCVEEJSFCH-GOSISDBHSA-N 410.478 1.027 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1705490488 LGNPXOIIFPPFLY-AWEZNQCLSA-N 412.494 1.913 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C(C)C 1705534856 UDKLQHLVIOADEK-IRXDYDNUSA-N 409.556 1.649 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCC(OCC(N)=O)CC1 1705543302 BSBAZDLLHPKPHN-UHFFFAOYSA-N 415.469 1.880 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705563982 IVWZWYDLDLCKGP-NQIIRXRSSA-N 414.531 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1705571595 CJHCIXFHKLJHSV-MRXNPFEDSA-N 421.501 1.869 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)nc1 1705582821 KGDMIAHITODHBM-LJQANCHMSA-N 406.490 1.135 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2COCCO2)CC1 1705645727 CEMFAWTZMOMYCE-IBGZPJMESA-N 423.517 1.635 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1705728867 APVRAFYSCCTHJU-UHFFFAOYSA-N 400.474 1.396 30 10 HDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C(N)=O)C1 1705751878 APBZVUFUXDBEFU-LBPRGKRZSA-N 423.930 1.302 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CO)CC1 1705825015 GTYIVTBOANPXPA-UHFFFAOYSA-N 400.483 1.727 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705888190 JTYZVHQJTNNAKK-OAHLLOKOSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](COC)C1 1705906570 JCOJUSWNTOLMBN-QGZVFWFLSA-N 419.457 1.150 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCn2nc(C)nc2C1 1705907446 MXZLLWRLNGXUON-UHFFFAOYSA-N 422.493 1.122 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCOCC1 1705908165 KCBSCLWFJKMQMR-UHFFFAOYSA-N 401.467 1.395 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1 1706072561 FCZIZXKXZHPZFL-CYBMUJFWSA-N 403.450 1.972 30 10 HDEE Cc1cccc(C)c1NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1707576381 DPRSJJRTFKNSAF-HOTGVXAUSA-N 423.477 1.214 30 10 HDEE CCOC1CC(O)(Cn2c([C@H](C)OCCOC)nnc2N2CCC(C#N)CC2)C1 1710601656 OMTUUONHBOFJRE-FVWXCPNNSA-N 407.515 1.672 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1712454222 BMSUIFOBEWRJFJ-HXUWFJFHSA-N 412.498 1.056 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1722294479 WTCHFNREJUMDSB-DGCLKSJQSA-N 406.288 1.346 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1722296367 PHRQVUUVXVIYCU-BZSNNMDCSA-N 407.584 1.903 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@]2(C)CN(C)C2=O)c1 1722310458 WIUSCKFVIWPLDE-QFIPXVFZSA-N 406.490 1.690 30 10 HDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722334242 VBSPAUUBRXOSBD-UHFFFAOYSA-N 412.538 1.620 30 10 HDEE C#CCCCn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C(=O)NC)C1 1722340217 QZHZSZZMRPTOMY-IBGZPJMESA-N 411.506 1.784 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCC(F)F 1722350419 ZRVRDRVDZYVYMB-UHFFFAOYSA-N 416.432 1.933 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCc2cccnc21)[C@H]1CCS(=O)(=O)C1 1722365908 GHAPPXKLXFMLKE-MSOLQXFVSA-N 413.547 1.982 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc2c1OCO2 1722374600 YDZJMOHMDKBTSC-QFIPXVFZSA-N 408.458 1.780 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722458895 WMMAHKURCUBXOT-OAHLLOKOSA-N 411.597 1.630 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1 1722471202 BNJYLITVAJKBFB-FDDCHVKYSA-N 420.517 1.580 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOC(C)(C)C)C1 1722717453 AXJKOYLBEOGHEK-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1727290780 AYSURUWFVCYEHJ-FUHWJXTLSA-N 402.543 1.900 30 10 HDEE CCc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727578642 PBGMQEYQPMTBRJ-FZFLATATSA-N 424.509 1.484 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1729304262 CXPZBLDBPHEJOL-DLBZAZTESA-N 407.478 1.010 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1730757969 LOBYAQXMEWHIHF-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1740533107 OUFNPLDFEVYEMW-HOTGVXAUSA-N 410.588 1.468 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(OC)CCOC1 1740558095 QXVRUKWOXIHMGF-AUUYWEPGSA-N 403.508 1.533 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740628685 ZNTJBSBHYPXIKH-ZACQAIPSSA-N 406.508 1.101 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 1740672609 MXEBGMIKLHBGHF-UHFFFAOYSA-N 417.473 1.999 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCCCCC1 1740684754 ASIBAGDANQWUGL-SFHVURJKSA-N 403.527 1.661 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1740813276 BBCVKFPPIRKTGV-UHFFFAOYSA-N 419.917 1.772 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740875650 HMOSPXVXIGAQOC-TVKQPGBESA-N 424.567 1.919 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740876097 OFDRMGQEGOPOIY-PXNSSMCTSA-N 423.583 1.447 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1740885821 OQLLZFQNJOGFHQ-INIZCTEOSA-N 413.544 1.194 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1748641435 GYASTOKFRHQWCC-DNVCBOLYSA-N 410.540 1.354 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1cnnn1C 1748648678 BDVMMOMSGOPRIL-CYBMUJFWSA-N 411.466 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748656853 ZYGZDQBNHOTRIZ-IAGOWNOFSA-N 411.506 1.907 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1748730476 LRIOYDSFHFZRNF-UHFFFAOYSA-N 404.496 1.210 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1748815623 SEKMWEIDTRGRGJ-GOSISDBHSA-N 416.551 1.849 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCc2nccn2C1 1748868848 KMRDFCXLDMPFOI-CVDCTZTESA-N 422.533 1.852 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1COCCO1 1748964154 GWXLOLIAGFSXCC-OAHLLOKOSA-N 406.433 1.649 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749132151 ZEDGJQZASOVWGO-MLHJIOFPSA-N 403.527 1.820 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)n(C)c1=O 1749144294 WQUAHQVQPPIXET-HNNXBMFYSA-N 422.555 1.346 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@@H]1C 1749213936 SDUUJRRFTPNECO-KKUMJFAQSA-N 417.601 1.811 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749488091 IPIPLYVHFJYUPX-ZACQAIPSSA-N 409.556 1.608 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC12CCOCC2 1749590188 RPOOCJUHYHTVGP-KRWDZBQOSA-N 403.527 1.970 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1749714272 DCMJLXZTOMWLBV-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1751089803 PJSJJFQGSIDQIP-QINHECLXSA-N 402.499 1.591 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCc1ccco1 1751934484 WGSNWLZTVAFHLS-UHFFFAOYSA-N 419.489 1.690 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ncn(C)n2)CC1 1760253413 FCLWATBWRMMYRE-INIZCTEOSA-N 424.484 1.489 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1760260275 YNUZZAMUCYSWAV-HXUWFJFHSA-N 400.571 1.538 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(C)C)CC1 1760265932 MEVYURSSNCNTRO-QFIPXVFZSA-N 417.554 1.942 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C(=O)NC 1760312707 CIKIFZCNTHMTRE-ULQDDVLXSA-N 418.542 1.314 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1762611590 YFHVAISGVCLGHF-FMQUCBEESA-N 407.478 1.440 30 10 HDEE CCCNC(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1764558839 XWEMPKUQPAFYQA-NRFANRHFSA-N 418.542 1.975 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1764878356 GDXXWPRROUVNRR-CVEARBPZSA-N 424.571 1.425 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(-n2cccn2)cc1 1767959345 GGFGNWZABCKOMC-IBGZPJMESA-N 407.478 1.972 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1770727478 GMCCUYWKAOISGV-LAUBAEHRSA-N 412.469 1.956 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)N1CCO[C@H](C#N)C1 1850775166 DFDAJDOFCYZCCT-MLGOLLRUSA-N 417.890 1.923 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCN(c3nccc(C#N)n3)CC2)cc1 1851653559 QQMOJXAPTGXFIB-UHFFFAOYSA-N 413.503 1.559 30 10 HDEE N#Cc1cc2c(cc1CC(=O)OCCCNC(=O)c1ccc3nccn3c1)OCO2 1852910353 YNDIJWUEASOVIW-UHFFFAOYSA-N 406.398 1.840 30 10 HDEE N#CCCN1CCN(C(=O)CCON=C(N)c2ccc(Br)cc2)CC1 1853445316 UXSLOSXVFFIRAQ-UHFFFAOYSA-N 408.300 1.534 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1=O 1853949094 XIURFGCYRGSSON-HNNXBMFYSA-N 413.455 1.385 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)c1 1854025832 QQVABNLAEPLTJV-UHFFFAOYSA-N 411.483 1.610 30 10 HDEE Cc1ccccc1CN1CC[C@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1854243759 ICZXCEBMSJMOKA-NRFANRHFSA-N 403.486 1.821 30 10 HDEE Cc1nc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)no1 1854244088 LKLBPANLGRQTEH-GOSISDBHSA-N 408.462 1.117 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC(Oc4ncccn4)CC3)CC2=O)cc1 1854421213 JRYOJXXTUXLKHY-KRWDZBQOSA-N 405.458 1.880 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@H]3CCCN(c4cnn(C)c(=O)c4)C3)C2=O)CC1 1854704060 XTLWGZHBJNQOJD-PKOBYXMFSA-N 413.522 1.166 30 10 HDEE COc1ccccc1OCC(=O)N1CCN([C@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1855008445 WHIADQOHDIBWFX-MSOLQXFVSA-N 414.506 1.511 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855252933 JDTULKMJFIRIOM-GOSISDBHSA-N 411.568 1.606 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(C(F)(F)F)CC3)CC2=O)CC1=O 1855855565 KEHLGZUDGRSVDK-KGLIPLIRSA-N 401.429 1.670 30 10 HDEE C=CCCN1C[C@H](C)C(=O)N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1856034112 KRBQEURMSYHBNP-KSSFIOAISA-N 419.503 1.181 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1856041886 WIPHZWQVDGCCFS-HKUYNNGSSA-N 423.579 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1856550435 QCHPMXKBDNKWPR-CVEARBPZSA-N 402.495 1.606 30 10 HDEE CN(Cc1nnc(-c2ccccc2)o1)[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1=O 1856592711 MVRUQSVGKSWVRO-QGZVFWFLSA-N 402.414 1.876 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)nc2ncnn12 1856631778 BKSABCSKFJHCFG-UHFFFAOYSA-N 409.494 1.933 30 10 HDEE Cc1cc(CCN2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)no1 1856838128 DUENXELYVZOTFC-FQEVSTJZSA-N 407.474 1.456 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042136 SEYFMJRCRCUZBV-DOTOQJQBSA-N 419.503 1.394 30 10 HDEE CO[C@]1(C(F)(F)F)CCCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857277568 CRHDUPQBWPVSJJ-SCLBCKFNSA-N 410.396 1.985 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)C[C@H]3COCCO3)ccc21 1857348186 WNLDCTSBKIZBQI-HNNXBMFYSA-N 408.476 1.104 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)C[C@H]3CCCCO3)C2)C1 1857460796 FEAZGUSOAHWKRW-IAGOWNOFSA-N 412.490 1.741 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCNC(C)=O 1868735167 CUUSBFSJKSBJAO-HXUWFJFHSA-N 415.490 1.366 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739008 QCJXGABGBDLHOS-HNNXBMFYSA-N 424.519 1.573 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 1890074062 KXGTVVPVSBCVBV-UHFFFAOYSA-N 413.518 1.677 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1914786036 YKEVYGYJPLMQSE-ZWKOTPCHSA-N 402.495 1.763 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1OCC 1982302571 IXDAIKSRLBUDSX-SDDRHHMPSA-N 413.334 1.885 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2010385428 VROLAXUFJLGDPD-SNVBAGLBSA-N 400.277 1.593 30 10 HDEE CC1(C)O[C@@H]2[C@@H](n3cnc4c(N)ncnc43)O[C@@H](COCc3ccc(C#N)cc3)[C@H]2O1 2054338568 QAPIUSQGRWFEHC-FORWCCJISA-N 422.445 1.914 30 10 HDEE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC[C@H](C#N)C1 2054403306 NNZUYOCIHMVRME-KZNAEPCWSA-N 406.508 1.856 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cn1 2118168348 SEMUAKKSJCULAB-QZTJIDSGSA-N 416.459 1.315 30 10 HDEE COC[C@@]1(NS(=O)(=O)c2ccc(C#N)s2)CCN(C(=O)OC(C)(C)C)C1 2118170282 QJRBLENHXJRMDT-MRXNPFEDSA-N 401.510 1.924 30 10 HDEE C#CCC[C@H](NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811269 XZKSLGNGNKOIRK-XGHQBKJUSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])[C@H](S(C)(=O)=O)C1 2192680103 WTXQWXIMBGCPDR-NWDGAFQWSA-N 416.481 1.972 30 10 HDEE Cc1c(NC(=O)CNS(C)(=O)=O)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2202929701 KFZGLQHPRURFDH-UHFFFAOYSA-N 402.709 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247811120 FOGPBMIDSNYLKS-HOTGVXAUSA-N 420.315 1.858 30 10 HDEE CCN(CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247816285 AZSDLTNVTHOXBL-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE Cc1c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247826187 PPVBVATWVZOKCQ-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247845869 WUMWCWGIWWAIPQ-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE C#CC(CO)(CO)NC(=O)c1cc(I)ccc1Br 2261433893 IIWDTUDDPHUVMW-UHFFFAOYSA-N 424.032 1.140 30 10 HDEE CC1(C)OB(c2csc(CNS(=O)(=O)C3CC4(C3)OCCO4)c2)OC1(C)C 2263515556 PWWAXMKLBFSVDN-UHFFFAOYSA-N 415.342 1.372 30 10 HDEE CN(CC1(N)CC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353332 KHYBMNGIYCFZSL-UHFFFAOYSA-N 406.766 1.813 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[S@]1=O 2267711787 PULHPRRPLOUNCE-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315835 UACSFAIEHZHJMK-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1csc(Cl)c1 2282329742 QRBCLTVQPFKHTP-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1OC 2282331385 MRXADWQDFKCKHF-STQMWFEESA-N 403.331 1.082 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1(C)C 2282332608 DNDXFLTWGMVCHW-ZDUSSCGKSA-N 400.375 1.808 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1N 2282339355 XPAANXVCOXATMQ-CYBMUJFWSA-N 400.375 1.795 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282497184 MRAFLUFLQLPSQW-RUZDIDTESA-N 405.322 1.124 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2282517692 BSNNPUHUMGPKCL-YOEHRIQHSA-N 402.300 1.994 30 10 HDEE Cc1cc(S(=O)(=O)NCCOCCCO)sc1B1OC(C)(C)C(C)(C)O1 2282827584 AHXPXVWRHFFYAF-UHFFFAOYSA-N 405.347 1.033 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CO)c2cscn2)OC1(C)C 2282851656 FHBYYMNRXNVQTB-NSHDSACASA-N 416.355 1.516 30 10 HDEE COC[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282861292 MEWWTVNYNZNCHE-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE CO[C@@H]1COC[C@@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866293 GXTXYLXORABBIA-QWHCGFSZSA-N 403.331 1.082 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2284410234 ANMSAJQIVZLORE-UHFFFAOYSA-N 407.294 1.143 30 10 HDEE CC(F)(F)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415464 XUKCFHWVZUGFAP-JTQLQIEISA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCCSCC(=O)O)c(Cl)c2)OC1(C)C 2284421214 LZRRLIFTUQXYHC-UHFFFAOYSA-N 400.693 1.582 30 10 HDEE COC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NS(=O)(=O)CC1(C#N)CC1 2289603660 MLEHZEFORCIIEZ-ZDUSSCGKSA-N 403.501 1.446 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CN(Cc3ccccc3)C2)n1C 2315596204 PWJCJAQKJWHBPC-UHFFFAOYSA-N 424.354 1.890 30 10 HDEE O=C(C=Cc1ccccc1[N+](=O)[O-])C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2323247719 GMYZGKALQCRMSN-UHFFFAOYSA-N 411.374 1.829 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc[nH]2)cc1OC 2326736283 NXMQDYKEJJZRDD-UHFFFAOYSA-N 400.464 1.674 30 10 HDEE C#Cc1ncccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2346033409 GGKGHEIDQSZASZ-QGZVFWFLSA-N 417.443 1.273 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C12CC(CNC(=O)OC(C)(C)C)(CO1)C2 2365209087 UPDPHHACANDMAT-FTXHTYHOSA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2365211012 KGRNTHTWOIOGMV-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367791117 XRKCYCGTMMDGOF-ARFHVFGLSA-N 400.541 1.556 30 10 HDEE C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367791923 KVXFHNSOGUUFJZ-FPCVCCKLSA-N 401.525 1.779 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1(NC(=O)OC(C)(C)C)CCCC1 2367813330 CLXSNHLXWGLDMW-GJZGRUSLSA-N 400.541 1.353 30 10 HDEE C#CCCN1CCC(=O)N([C@]2(C(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)C1=O 2378465146 TUUUWTDPJBAUGF-IIBYNOLFSA-N 413.430 1.576 30 10 HDEE CO[C@@H](C#C[C@H](N)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379817341 NMINNRAMJVMHFY-HOTGVXAUSA-N 400.541 1.556 30 10 HDEE COC(=O)NC1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2379974819 FVLZTDCCHZCNIT-UHFFFAOYSA-N 400.693 1.881 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)cc1 219985140 FAZAHYRHCQRDRF-CYBMUJFWSA-N 403.420 1.369 30 10 HDEE N#C[C@H]1CN(C(=O)Cn2c(O)nc3ccccc3c2=O)CCN1Cc1ccccc1 303524964 FWABOTJOCPSPND-KRWDZBQOSA-N 403.442 1.339 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NS(=O)(=O)N1CCO[C@@H](C#N)C1 409499642 KRUVAWDOGKJDIW-BQFCYCMXSA-N 407.492 1.097 30 10 HDEE COc1ccc(CCC(=O)N2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 409625595 XEHOIJMSLTXVRY-MRXNPFEDSA-N 410.478 1.413 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 439313986 IHXDNAHQCKVGMB-LUKYLMHMSA-N 415.446 1.559 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 468519885 VOCILJJUGRSWFC-UHFFFAOYSA-N 404.492 1.862 30 10 HDEE COCc1noc(CN2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)n1 474281932 XLNLZDWMYUVITJ-FQEVSTJZSA-N 413.478 1.835 30 10 HDEE C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 477429163 QREMKWQHNKRDMU-UHFFFAOYSA-N 406.485 1.733 30 10 HDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1 490027660 BFDUHFRGMGNJFO-VQTJNVASSA-N 404.486 1.272 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nn1CCC#N 504278489 CQDOZFXGULUWEC-LJQANCHMSA-N 406.446 1.519 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC2CCOCC2)cc1 504972264 DIIXLTPTVHLKQA-UHFFFAOYSA-N 409.508 1.317 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 505369526 ZYMCOFYLDCAUHI-MRXNPFEDSA-N 414.506 1.537 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@H](NC(C)=O)C1 508918312 FCPGGAMESPRBHF-HNNXBMFYSA-N 417.539 1.529 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(CC)s2)CC1 508937980 FLVUMTXEGONMHX-CQSZACIVSA-N 422.580 1.712 30 10 HDEE COc1cccc(C(=O)N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)c1 513787173 UTNVQOJDLUFNNX-UHFFFAOYSA-N 413.499 1.799 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 514759589 CFACPWCVEPKKSC-QGZVFWFLSA-N 421.498 1.499 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)C1 523610114 ZNAXHOFNYAZSIN-RDJZCZTQSA-N 401.463 1.586 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 536266714 OZGQCQCKWPXOMD-BEVDRBHNSA-N 412.515 1.787 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 545471753 OWRVCBNTHXEXTE-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1C 545505829 TYEWBCFDVWYXML-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCO[C@]2(CCCOC2)C1 553880169 ABISTCNZTJEDIN-OAHLLOKOSA-N 401.282 1.891 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C(N)=O)C3)n2Cc2ccccc2)cc1 555146259 FKAOCLAJSQHWHR-LJQANCHMSA-N 418.457 1.468 30 10 HDEE CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1cccc(Br)c1C#N 561541998 BJGVRCOQLUDZJY-YGRLFVJLSA-N 405.314 1.757 30 10 HDEE CCOC(=O)N1CCC(NC(=O)NCCCNC(=O)c2cccc(C#N)c2)CC1 586458101 KXFHOZPEGVSUBW-UHFFFAOYSA-N 401.467 1.598 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3cc(F)ccc3F)CC2)c(F)c1 586860564 JVBCYJKHEUCMCM-UHFFFAOYSA-N 402.376 1.941 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)c1 609253813 LRNDVWCXBJDQAM-UHFFFAOYSA-N 417.466 1.377 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1F 609459947 QXDDBTWYYSMWBQ-BZUAXINKSA-N 407.467 1.746 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)nc1 610475981 ISQIRJLXRODXBW-SFHVURJKSA-N 412.494 1.001 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O 610598627 AOSOSDOEXLRFLC-YCRPNKLZSA-N 414.462 1.563 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 669738769 XCLCPVZRVPJGJP-UHFFFAOYSA-N 405.451 1.847 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1 679532585 ZHJYYYBRQXQWMQ-UHFFFAOYSA-N 402.495 1.758 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC2)cc1F 730143724 DDTPISUPJOPDIC-MRXNPFEDSA-N 408.499 1.996 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 731213689 NYTCZULIMMRGTD-HOTGVXAUSA-N 408.520 1.312 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732465431 FFSDBFGYZDOBMN-HYEKCJMVSA-N 421.498 1.554 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)CC1 742442520 OEXWMDJAQUGIPB-KRWDZBQOSA-N 404.536 1.591 30 10 HDEE Cc1cc(C#N)ccc1C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 747916511 SKGLSXDOYGESRU-UHFFFAOYSA-N 405.414 1.612 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 749379847 QSOHSYVZLFASGK-UHFFFAOYSA-N 419.425 1.668 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1)C1CC1 750426693 TUHHTSLTYLRPLN-MRXNPFEDSA-N 419.239 1.390 30 10 HDEE CS(=O)(=O)c1ccc(F)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 763382104 OCYUDVTUQSTXDU-UHFFFAOYSA-N 421.435 1.482 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@@H]1c1ccc(F)c(F)c1 764400628 KHCACRCJIUDFDW-ASBLKLPYSA-N 419.432 1.536 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767883457 ISINEMMBIISGPZ-UHFFFAOYSA-N 419.491 1.032 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774195716 LBZJZPFMKQARIV-APWZRJJASA-N 405.520 1.416 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 780205966 ORFWLWSUXAGXKB-MRXNPFEDSA-N 424.381 1.770 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1OC 780206078 PXZNTVFKPNZYRG-XOBRGWDASA-N 412.442 1.899 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 782417308 KPBHRTAJXSBVNG-MRXNPFEDSA-N 403.435 1.654 30 10 HDEE C#C[C@@H](NC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@@H]1CCCO1 793934787 AZSCRCQNHHXTJB-QUCCMNQESA-N 414.502 1.465 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc([N+](=O)[O-])c2OC)n1 795190266 XPPULRUAAXZFGV-UHFFFAOYSA-N 408.436 1.270 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 800774361 WIUITWBVZXMAQG-YCRPNKLZSA-N 412.446 1.876 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1)[C@H]1CCS(=O)(=O)C1 802358739 GSNIRVQBHVGOCI-IRXDYDNUSA-N 419.503 1.329 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(O)(c4ccc(F)cc4)C3)C2=O)cc1 802623907 STLKTOBVQLNPSU-GOSISDBHSA-N 422.416 1.632 30 10 HDEE COC1(c2ccccc2)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 804913115 ITJBUOBLRFWTCI-HNNXBMFYSA-N 413.499 1.888 30 10 HDEE COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 816693170 DQXBHNRWACEQMD-HNNXBMFYSA-N 405.432 1.216 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)C2)c(F)c1 856615065 XXOKBBCUNLWTSK-CEXWTWQISA-N 421.476 1.901 30 10 HDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccccc3[N+](=O)[O-])n2)CC1 1084341851 UNYIYZFWPMAZHS-UHFFFAOYSA-N 404.456 1.025 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)Cn2ncc(=O)c3ccccc32)cc(OC)c1OC 1127754336 WJFCZHHZFUJJJO-OAHLLOKOSA-N 408.414 1.803 30 10 HDEE CC(C)C[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N(C)C(=O)OC(C)(C)C 1136672510 PGUHGWWRIOHZSR-HFUDNHEJSA-N 408.499 1.911 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H]1CCCc2cc(C#N)ccc21 1142423157 VWTVNMQRNKQOLK-UTKZUKDTSA-N 410.474 1.667 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 1149431709 DHDXVJWKEILQDY-FQEVSTJZSA-N 410.449 1.891 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)C1 1154867719 VGUJWLVLLQAAFE-UHFFFAOYSA-N 408.520 1.635 30 10 HDEE CC#CC[C@H](CO)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1164672524 LPIWUCCMFZYHPZ-OAHLLOKOSA-N 413.515 1.639 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1171104811 ZHXORDVADCDQPH-OAHLLOKOSA-N 419.482 1.507 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cn1 1176167126 NITCUERATKOIFN-ICSRJNTNSA-N 418.519 1.088 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C(=O)N[C@@H]4CCC[C@@H](O)C4)C3)C2=O)cc1 1197600388 DCHHWLVOBITOMU-UKAVVXHISA-N 410.518 1.795 30 10 HDEE C#Cc1ccc(NC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 1209898125 OGJBYTCOSJGHCQ-OAHLLOKOSA-N 411.911 1.980 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(C)c1)N1CCOCC1 1286359307 YYHSAUOIWAGXIY-FQEVSTJZSA-N 424.549 1.868 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1286449788 HDZORIGHRKEPEG-UHFFFAOYSA-N 407.526 1.965 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@@H]1C 1286464274 YJBYMFFTSCLCHM-VFNWGFHPSA-N 414.462 1.300 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCc3ccccc32)CC1 1286470307 XDZAOEGCSTVRJX-LJQANCHMSA-N 406.534 1.902 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCC(=O)NC)CC1 1286471011 FPOXGYAYGBVSER-MRXNPFEDSA-N 414.485 1.449 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1286471623 OXYFOOBFOFHOFY-ROUUACIJSA-N 402.543 1.330 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccccc2F)CC1 1286472142 QTCIJKLUMZICRX-KRWDZBQOSA-N 401.486 1.945 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)N(C)C)CC1 1286477059 NKOVYGSLJVOTBV-LJQANCHMSA-N 418.549 1.836 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOc2ccc(OC)cc2)CC1 1286491007 AMGCKGGZVQEDER-UHFFFAOYSA-N 411.506 1.894 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)[C@@H]1CC 1286534374 AZXGQVZNXJCECB-OLZOCXBDSA-N 416.320 1.626 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2ccco2)C1 1286787956 NDKFUCWRBKMQBV-SJORKVTESA-N 401.467 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)nn(C)c2C)C1 1286812111 MCAIKUSWXPWFPR-QGZVFWFLSA-N 413.526 1.580 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286958593 AJWPWUSLJNOBEW-CHWSQXEVSA-N 420.495 1.261 30 10 HDEE C=CC[C@]1(C(=O)NCCS(=O)(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1289291335 VSDFPIYJKGZMCY-LJQANCHMSA-N 415.556 1.874 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCNS(C)(=O)=O)n1 1289950467 DOSSFUFCQWKASM-UHFFFAOYSA-N 403.512 1.328 30 10 HDEE CC(C)(CN1CCOCC1)C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1290748025 NOUAKBFOMZOUHL-UHFFFAOYSA-N 410.522 1.733 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 1294722460 KZQDEEBAFYETKY-UHFFFAOYSA-N 409.315 1.030 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3c[nH]nc3Br)C2=O)cc1 1299956062 MDFNWXAHYAJIPG-NSHDSACASA-N 417.223 1.888 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1300362171 MOJGGFNUHCYWFI-KRWDZBQOSA-N 424.553 1.956 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@](C)(O)CCOC)CC1 1300690529 CNSHGZLWLSWNIP-HXUWFJFHSA-N 418.929 1.536 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC[C@H]2OC)CC1 1300710944 QQBFRPHABFKAJP-HAGHYFMRSA-N 417.554 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@](C)(O)C2CC2)CC1 1300719698 MKPAOSPEDZSJMK-QFIPXVFZSA-N 408.506 1.467 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1300777836 DXIBDSUQRXXDBQ-XLIONFOSSA-N 421.567 1.402 30 10 HDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(=O)N(C)C)CC1 1301085085 CZLWMAOFRHAMSH-UHFFFAOYSA-N 410.526 1.697 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1)C1CC1 1301314064 MEUQBNPFOFFEIP-ACJLOTCBSA-N 409.512 1.544 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1301426199 PLORCQSYTNVSAA-SFHVURJKSA-N 419.551 1.870 30 10 HDEE COCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1301601278 ARGLMWZVMFVBLW-QFPXGYFVSA-N 418.498 1.171 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1302989112 HDVQJIKOUFRZPR-KRWDZBQOSA-N 421.358 1.937 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCCCCO)CCN1C1CC1 1303003892 KPASDTSWVDSZOH-HXUWFJFHSA-N 409.538 1.993 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1303635667 IJCFSBFPHCYPRI-IHSNIMORSA-N 402.499 1.696 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)c1 1304827321 QWZISEDQOFMBHS-NHCUHLMSSA-N 421.515 1.916 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)CC1 1313036024 OTSXIYPPGRJBPN-UHFFFAOYSA-N 410.515 1.041 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1313491637 HEKVGVFRUUMUOJ-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C1CC1 1316189123 MIMQHHFDDCBRTO-MGPUTAFESA-N 404.515 1.658 30 10 HDEE COCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1316263519 JYUBCYIMZCKPHX-QGZVFWFLSA-N 408.462 1.885 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@@H]2COCCO2)CCO1 1316540309 JFPJHNGMELNJBX-SJORKVTESA-N 401.442 1.542 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316540880 OVENGGIHRITVDE-UXHICEINSA-N 416.570 1.976 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@@H]3C[C@H](O)c3ccco3)CC2=O)cc1 1333264122 MDKLSWSTCATDGP-NEWSRXKRSA-N 409.442 1.855 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1358946392 TUFXHUVWJCEWJE-UHFFFAOYSA-N 416.489 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C 1358994722 UZMDIGKJTFFPGO-QGZVFWFLSA-N 400.504 1.901 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC[C@@H]1COCCO1 1359025259 IOVQQLRUFPYOHQ-LJQANCHMSA-N 402.470 1.900 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359096578 DPSMMOXATRPPJB-WDYCEAGBSA-N 413.526 1.717 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359188279 KOHPFZZRKXRAAK-MGPUTAFESA-N 423.583 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C2CCOCC2)CC1 1359327151 UADKKWLWZPOMDX-UHFFFAOYSA-N 411.572 1.303 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)CN(C)C)cc1S(=O)(=O)NCC#N 1454132365 WKMSRKJJWXDIOS-SJLPKXTDSA-N 406.552 1.989 30 10 HDEE CCCCN(C(=O)CN(C)[C@@H]1CCC[C@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1460603133 AQGZPTKWYCSNFN-JKSUJKDBSA-N 418.542 1.944 30 10 HDEE N#Cc1ccccc1Oc1ccccc1C(=O)NC[C@]12COCCN1C(=O)COC2 1462241993 QUNDSLDGDBRMQI-JOCHJYFZSA-N 407.426 1.708 30 10 HDEE CC[C@@H]1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1462998494 NRRFEQAROAFYRO-HRLGVUPISA-N 411.524 1.419 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@@H]2COc2ccc(Cl)cc2)c(=O)nc1O 1463840376 IFFFPNBJGAMOHD-OAHLLOKOSA-N 402.838 1.934 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1463927091 OIOFHKJZZCVHGN-RDJZCZTQSA-N 402.538 1.385 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 1463985741 FWYOEBHUZKJTPK-OAHLLOKOSA-N 403.545 1.776 30 10 HDEE COc1ccc2c(c1)CN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1468289060 HTNXYDKFTJBVFV-UHFFFAOYSA-N 415.471 1.545 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N(C)CCOCCNC(=O)OC(C)(C)C 1470998306 MOXLLEIDYZUSOF-UHFFFAOYSA-N 407.467 1.945 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1472221596 BNKFKJPCSIDTAF-LQZXRHCMSA-N 422.503 1.201 30 10 HDEE NC(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)nc1Cl 1472618938 PESVIBQWPSDHRZ-UHFFFAOYSA-N 402.794 1.352 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1494108822 XPNUHAGMATWFIA-OAHLLOKOSA-N 414.535 1.599 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCOC[C@H]2C)C[C@@H]1O 1494595290 WMARNNNMDIXEEB-HLIPFELVSA-N 410.522 1.745 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1=O 1502303463 YDGGPQFJLJWXOQ-UHFFFAOYSA-N 409.494 1.402 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCC[C@H]2C)CCO1 1503770722 FHAXDIAIGSZDNI-QRFQSNJMSA-N 424.505 1.319 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@@H]1O 1505270139 KIFCHIVZVVNKQA-QAPCUYQASA-N 412.494 1.414 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1507592431 RVZISBHTJIGDAD-AOCRQIFASA-N 421.567 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1507666997 JEOAZXDRXFYCFZ-GOSISDBHSA-N 422.464 1.261 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCNC(=O)C(C)C)CC1 1507736111 MKASBGHBXGSTDB-KRWDZBQOSA-N 416.570 1.920 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507844775 PGDNTNHAFCPKJG-YLJYHZDGSA-N 424.567 1.780 30 10 HDEE C=CC[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)C1)c1ccccc1 1507929605 RQMSNSMJZMOFCJ-SFHVURJKSA-N 408.506 1.697 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507951215 DAFJXQNFWRVNHP-MOPGFXCFSA-N 416.570 1.914 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1508074343 PWLWQZYMMZMRFJ-HXUWFJFHSA-N 414.441 1.706 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](COC)C1 1508075225 VOZRWHGZMVFLRD-AWEZNQCLSA-N 406.874 1.147 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)CCOC1 1509800921 ALQNZRXLNMEOLQ-IBGZPJMESA-N 400.487 1.350 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1518779428 YEFOKANHXKBZHD-WMLDXEAASA-N 405.430 1.579 30 10 HDEE COCCOCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1519393247 FUJCJHIOOVDQFL-HXUWFJFHSA-N 404.515 1.584 30 10 HDEE C#CCO[C@H](C)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1525389001 WNWWMPDNMDKOAU-GFCCVEGCSA-N 403.298 1.190 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3I)C[C@H]1CS(=O)(=O)C2 1536179393 IJGISZULEAGZFE-HZMBPMFUSA-N 416.240 1.302 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1539013685 NLKXDZUWXXSNSE-KRWDZBQOSA-N 424.553 1.778 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539034265 BKBAWDYGVXGHGQ-RBSFLKMASA-N 401.433 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCc1noc(CC)n1 1539286072 UWEQILMSKFTAKI-UHFFFAOYSA-N 414.473 1.778 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C(=O)NCC)cc1 1539409280 VHNDJAHZOWZHFN-UHFFFAOYSA-N 419.489 1.619 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1 1540169880 KATUIVSWPGOFCQ-AWEZNQCLSA-N 424.552 1.294 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1540858197 LYDXPMJEZDATLY-JXFKEZNVSA-N 402.520 1.773 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1540867209 OHFIXYOOGDBZDV-QGZVFWFLSA-N 417.477 1.589 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](COC(C)C)C1 1540870335 KTLKRIPRXNKDFD-IRXDYDNUSA-N 407.515 1.452 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1540875949 CKMMEDLNOKYKOA-UWJYYQICSA-N 421.542 1.626 30 10 HDEE Cc1csc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n1 1542872025 WZDLDQLUMVDTDO-DNVCBOLYSA-N 418.523 1.861 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1543462983 PLEZKBWPHMKWLK-HNNXBMFYSA-N 414.911 1.519 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(S(C)(=O)=O)CCC1 1545832079 GCBQWBSRGYHECG-AWEZNQCLSA-N 424.571 1.760 30 10 HDEE COCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369631 XRDFNABXSCHRHH-INIZCTEOSA-N 410.396 1.519 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c1 1555012218 PLCCVGHEUJZLME-GOSISDBHSA-N 400.483 1.261 30 10 HDEE COCCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1555685789 YVELROFRAXALFM-DOTOQJQBSA-N 412.494 1.899 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC2CCOCC2)C(=O)OC)c1 1561876512 UBQWODPEOYTFEZ-KRWDZBQOSA-N 410.492 1.239 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)cc1 1564798587 NPIOCRKCIVFXDN-UHFFFAOYSA-N 417.487 1.948 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2nc(C#N)cs2)c1 1585403228 PEJCGIBSKLYXNW-UHFFFAOYSA-N 419.532 1.795 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)cc1 1587659030 ULFQWDAZWOBENT-IEBWSBKVSA-N 414.487 1.924 30 10 HDEE C[C@@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1587889166 YBOZRLMAFZJUAC-BBRMVZONSA-N 404.442 1.974 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CCC1 1587989430 JKZIVBRRUANVFF-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588049233 CPKKOKOBYOQEFK-HOTGVXAUSA-N 421.567 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN1CCSCC1 1588155058 MQUVVVXUOMONEL-UHFFFAOYSA-N 400.577 1.755 30 10 HDEE CCc1nc(O)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C 1588157722 GOYZZEYAZRLQDR-UHFFFAOYSA-N 414.487 1.676 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1588628598 LQEZBKKEYOUMLO-LAUBAEHRSA-N 412.494 1.549 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](CC)N2CCCC2)CC1 1588848495 IBVVVDZGPSERBM-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)c2ccccc2C)CC1 1595551549 RRDYKPJRQMZYEZ-UHFFFAOYSA-N 410.522 1.850 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)N(C)C)C1 1595723070 QPGHJZQAZMWWDI-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1596590970 VOQNGWHBKMQBNH-UHFFFAOYSA-N 409.490 1.708 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCn2ncc(I)c2C1 1597344846 ULJVVKVNSVRLNH-UHFFFAOYSA-N 407.211 1.488 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC3(CCNC(=O)O3)C2)C1 1598431539 CXVXGHZGKCXBTF-UHFFFAOYSA-N 405.252 1.468 30 10 HDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1)N1CCCC1 1613618797 AWGSDWGLKYRUBE-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1614955879 DZQWMWSMKSYJID-UHFFFAOYSA-N 423.521 1.792 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCN(CCc3ccccc3)C2)CC1 1615208673 DPQDPOZBDDPZQJ-QFIPXVFZSA-N 410.562 1.225 30 10 HDEE CCOC(=O)c1n[nH]c(-c2cccc(CNC(=O)c3cccc(C#CCO)c3)c2)n1 1618521625 PJBLUPCDGKYRMJ-UHFFFAOYSA-N 404.426 1.922 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)COc3cccc(Br)c3C#N)CCN2C1=O 1621770428 RJNFTENRTSZJPO-CYBMUJFWSA-N 421.251 1.194 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(C(=O)OCC)C2)s1 1625558264 VEHUEGILPVUNHM-LBPRGKRZSA-N 401.510 1.102 30 10 HDEE Cc1nn(-c2ccccc2)c2sc(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc12 1630030407 GOMDGFYEPRBEDD-UHFFFAOYSA-N 420.454 1.959 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@H](CC(F)(F)F)C3)C2=O)cc1 1630093872 FPISJDAXBWRYSI-CABCVRRESA-N 424.379 1.943 30 10 HDEE C[C@@H](CONC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)NC(=O)OC(C)(C)C 1630792288 CTNSWGWESCQEFK-NSHDSACASA-N 415.443 1.698 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1 1635507930 FFLSIIGQLXBQJL-CVEARBPZSA-N 407.515 1.976 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(OC(F)F)CC1 1635692772 CRUCDUKYYVYXOI-LMWSTFAQSA-N 401.435 1.892 30 10 HDEE COc1cc(F)cc(C[C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1636076665 YZLYEZHJZWWLOR-NSHDSACASA-N 401.398 1.166 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1cccc(C)c1 1640636889 OORWPSGBNPMFOM-PKOBYXMFSA-N 421.457 1.122 30 10 HDEE C[C@H](CC(=O)N[C@@H](C1CCOCC1)C1CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640676488 RCMDKURFVRWVPT-BFUOFWGJSA-N 405.520 1.825 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCS(=O)(=O)C1CCOCC1 1641041107 RGWHWGWVTCXBGY-UHFFFAOYSA-N 419.503 1.761 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CC12CCOCC2 1641069455 UGUXXSXJLJSRSW-QGZVFWFLSA-N 405.520 1.971 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCc3nnnn3CC2)C1 1643035802 ZKIVERDIWSIVDC-AWEZNQCLSA-N 416.283 1.265 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC)[C@H](c3ccc(Cl)cc3)C2)CC1 1643611454 MTCOWMMCYWNYRZ-RBUKOAKNSA-N 403.910 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC(CO)(CO)C1 1644443309 DIGBDUNLJGWBTO-QGZVFWFLSA-N 401.463 1.206 30 10 HDEE COC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 1644868700 QPQNGLATRNBSPD-LZWOXQAQSA-N 409.508 1.062 30 10 HDEE CC[C@@](C)(C#N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1650819694 QHBQEYJAXFITJA-YYQBIWNASA-N 406.483 1.967 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](C)C(=O)c2ccc(Cl)cc2)CC1 1650846404 VOFQAAPBCZXTGL-CQSZACIVSA-N 411.911 1.161 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(-c2ccc(F)cc2)c1C 1654538406 UQBNQBBTXVFTFJ-HDICACEKSA-N 423.448 1.590 30 10 HDEE C=CCC1(O)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1655634719 YVWBNWUKFKCGBV-HXUWFJFHSA-N 400.498 1.938 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1656322830 HQRHFBLXUSAAQX-AWEZNQCLSA-N 404.533 1.159 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1C 1661361920 CFXHTTLWQMDHCZ-HNNXBMFYSA-N 417.443 1.720 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1666022429 HAJBZXOKXSUWLQ-LLVKDONJSA-N 411.427 1.451 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)c1ccccc1 1668420403 VEPIVAJHBFIJQK-SFHVURJKSA-N 413.503 1.659 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@H]2CCCCN2CCO)CC1 1680304655 VVZYADVHTASHLR-JLAWEPINSA-N 401.511 1.789 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCCNC(=O)CCCc3ccccc3)CC2)c1 1682171069 XWUWKWAMCOYGMZ-UHFFFAOYSA-N 420.517 1.924 30 10 HDEE C=CCCSCCNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1686988833 WWSRJWZAGLXRNE-UHFFFAOYSA-N 407.565 1.893 30 10 HDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1689935501 IBTBCXHNEMLTDG-QGZVFWFLSA-N 410.526 1.956 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1690742371 ODZPHTAUNYTGMY-OAHLLOKOSA-N 406.556 1.453 30 10 HDEE COCC1=CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697821280 FFDZLWANTQLLSI-HTXNQAPBSA-N 400.483 1.711 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCCC1 1698062599 DKWXZCIJZNLEHJ-UHFFFAOYSA-N 401.515 1.811 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCc1ccco1 1698135818 BZSCHTMZWNWLBX-HNNXBMFYSA-N 416.482 1.651 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705559918 GZAIRYLVHZTEOS-MRXNPFEDSA-N 402.520 1.956 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705560045 HZARAFMMLXJLJH-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1705560157 DWPIGLSRAGFHTE-APWZRJJASA-N 408.524 1.131 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705659280 QFTYTBAAXWOLPI-GOEBONIOSA-N 416.551 1.091 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCOC1 1705664499 QKJKOZCAJCTXCH-CQSZACIVSA-N 405.549 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1CCCN(CC)S(C)(=O)=O 1705674644 NJPLGXAQXMMSFE-VQIMIIECSA-N 409.556 1.446 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705717975 WZVCSXZZIQKNCT-MBOZVWFJSA-N 424.567 1.921 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705894418 YEIAVFADYPLYTG-BBWFWOEESA-N 405.499 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2sccc2C1 1705932467 UQJWVPIGBASXMU-UHFFFAOYSA-N 416.532 1.960 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709297585 WVVFQYDPAAMHHP-STGLLQLASA-N 410.482 1.441 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(OCC)CCOC1 1710314721 HMWJUQNQKZZJRP-FOIQADDNSA-N 406.531 1.831 30 10 HDEE CO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1711529165 DRKBIDFKPYPLQE-MLGOLLRUSA-N 418.395 1.923 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1COCCO1 1712634353 DVJBTNGQIBRRPC-BBWFWOEESA-N 405.499 1.548 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2COCCO2)C1 1712875173 MEHLVGYZMVIFKZ-MAUKXSAKSA-N 402.386 1.711 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)OC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1722167381 AMQYKUORMJRVOR-BCRJPVCJSA-N 402.535 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1722380747 WZBVUIYGIKVYCX-UHFFFAOYSA-N 410.478 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC(=O)NCc1ccco1 1722384570 WQNZKEQPQNIIIP-UHFFFAOYSA-N 417.469 1.860 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(COC)cc2)CC1 1722440474 JRKJYQZBRHVFSC-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(C)CCCO2)CC1 1722447548 JMNQQGBMOAZEMU-PGRDOPGGSA-N 415.538 1.707 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@@H]1CC 1722492333 BAWRQZSEKOKBCK-IKGGRYGDSA-N 416.526 1.210 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C(C)=O)CC1 1722669715 ZEJAALZLYDHBPS-UHFFFAOYSA-N 409.538 1.991 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccon2)nnc1[C@@]1(OC(C)C)CCOC1 1722703937 LSYXPSNLESIMKI-LJQANCHMSA-N 404.471 1.245 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](c2nccs2)C1 1729308437 GYZRIFUVVSSIGY-MRXNPFEDSA-N 423.502 1.939 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N(C)C 1730322957 DHNHIYQZDXTVFH-FQEVSTJZSA-N 416.457 1.786 30 10 HDEE CS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1731021405 TUUWSHIWGUVYSE-UHFFFAOYSA-N 402.480 1.044 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)CCO1 1731187093 XJTGMHVUUIJPDO-IAGOWNOFSA-N 414.422 1.388 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1740634845 PQRTVPVTHSLMRN-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCSCC1 1740644728 QRNAOAQGFJTOFZ-ROUUACIJSA-N 403.552 1.124 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)S[C@@H](C)C1 1740717404 ROMFLTPQOAMCLR-SOUVJXGZSA-N 414.622 1.877 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@H]2C)CC1 1740840234 VCBGGAXQOVRRSS-PVAVHDDUSA-N 409.556 1.669 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C(C)(C)C 1740941850 UWWSDXKVYJCNQB-JKSUJKDBSA-N 414.572 1.880 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCCOC2)C1 1740950679 CQSIACHSRFCYCU-OAQYLSRUSA-N 418.542 1.506 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 1740978849 DBSUZDZROCOPST-JKSUJKDBSA-N 402.499 1.069 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1742834487 HLUCNZWISHZINF-HDICACEKSA-N 424.553 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCCO 1748690133 MSHXOQDYDWFXNO-YESZJQIVSA-N 421.542 1.906 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CCC)c1 1748691419 DNPXJNNEHFEXRE-AWEZNQCLSA-N 418.523 1.355 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1748709958 BWSQHEZHTAYLAG-UTKZUKDTSA-N 400.527 1.334 30 10 HDEE C#CCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764383 MOJIYVNWDGXQMK-RTWAWAEBSA-N 401.511 1.449 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1748811291 DJHCEDRRHWDBPT-SFHVURJKSA-N 413.503 1.314 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1748918604 LGHAGNORKTUCGZ-OAHLLOKOSA-N 416.503 1.611 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2NC(=O)CC2(C)C)n1 1748971338 MIHZEDBLIHDUES-KRWDZBQOSA-N 413.526 1.238 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cc(F)cc(F)c2)CC1 1748971466 QQZVOGZBQJUYOH-UHFFFAOYSA-N 416.476 1.692 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OCC)C(C)C)CC1 1748991260 UWNUCOWBTHYBQT-ZWKOTPCHSA-N 402.543 1.436 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1749312343 JLAWJBNAUPETSR-QRWLVFNGSA-N 417.535 1.966 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749352302 KQOZQBCBJZBCMQ-INIZCTEOSA-N 415.542 1.672 30 10 HDEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1749373767 TYQGSMBCPMRXCQ-UHFFFAOYSA-N 414.554 1.760 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(CC)CC)C1 1749669024 BROIZQDGQHKHRS-ROUUACIJSA-N 404.559 1.642 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1749676233 JIYLSMXLNLPOLU-UHFFFAOYSA-N 418.505 1.949 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncccc2N(C)C)C1 1749708067 HKNJYZZISWTZCO-JKSUJKDBSA-N 411.510 1.520 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCS(=O)(=O)C1 1750117761 DBCOKBSXDMBASF-UGUYLWEFSA-N 411.528 1.033 30 10 HDEE CC(C)c1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1750636462 VVYSTTYEGWHBDA-LTCJTPMSSA-N 414.510 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCOC 1760112441 HAZYUIIWKQDCIG-KRWDZBQOSA-N 413.526 1.573 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760143586 LDFOMXJCWDOXKB-DYESRHJHSA-N 416.526 1.336 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)CC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760194507 JZGFJFIBRNMSJI-MRXNPFEDSA-N 406.490 1.128 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1760224948 DEPKMFSWLBJIQK-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1760235804 XYHIGDSYRNRAQC-HNNXBMFYSA-N 405.405 1.631 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1760236500 YEMNBJNPAGGDKJ-MRCUWXFGSA-N 422.464 1.994 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCN(C)C(C)C)CC1 1760271600 DCNQFWDVZKPCPF-UHFFFAOYSA-N 423.565 1.570 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760327379 GNTBRTQEYSGSIK-DYXWJJEUSA-N 419.570 1.954 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1760522760 DEBRSWNPXUQKGB-NRFANRHFSA-N 407.478 1.430 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COc2ccccc2O1 1761217750 ZIWNEUFNLNQGDO-VLIAUNLRSA-N 414.441 1.698 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@H](C)C#N 1766729813 KIMWHLDGSZKJMG-GFCCVEGCSA-N 411.557 1.169 30 10 HDEE COc1ccc(CCc2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)cc1 1768584338 LWEXSNWXBGMICO-UHFFFAOYSA-N 420.473 1.863 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1768819894 IKDOIFAIAULRKG-GOSISDBHSA-N 424.505 1.931 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1770143425 NAPUPNUGLSRFPO-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1772887813 GEDFHFZRRWWSBN-QFIPXVFZSA-N 423.521 1.206 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCN(C(C)C)C(C)C 1850076122 NKDQMHDSRMIQHX-GOSISDBHSA-N 424.567 1.683 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)C1CS(=O)(=O)C1 1850693901 LGZTXZMOJIOGDH-GOSISDBHSA-N 409.504 1.083 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1 1853567611 SCTAGEVWLUXWRS-UHFFFAOYSA-N 401.442 1.176 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](C2CCN(CCN3CCOCC3=O)CC2)CC1=O 1853903482 PUUSAMJOGJYANA-IEBWSBKVSA-N 405.539 1.535 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN(C(C)C)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1C#N 1854106618 ZKTSIZKTLLOTDG-APWZRJJASA-N 417.531 1.753 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(S(=O)(=O)C3CC3)c3ccccc32)CC1=O 1854431787 HRJNIZWBHBVQOZ-AWEZNQCLSA-N 417.487 1.283 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C(=O)[C@H]1C 1854735881 RXAMDCURILQBAL-HZPDHXFCSA-N 413.474 1.446 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854837064 DMNCAOGFTQGBAW-UTKZUKDTSA-N 400.454 1.582 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855164278 XLTYBDXGXAEAEW-IAGOWNOFSA-N 416.547 1.773 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)c1 1855700476 MEJASEHHICGPMI-LJQANCHMSA-N 404.474 1.692 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H](F)C3CCCC3)C2)CC1 1855838254 KSDLUTNISFKNFN-UZLBHIALSA-N 413.497 1.979 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1 1856031746 FKVJRIAJWHPJGV-SFTDATJTSA-N 410.518 1.876 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CCn4ccnc4)C(=O)C3)C2)s1 1856361361 RIGIMHTZKOZENH-MRXNPFEDSA-N 412.519 1.152 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)Cn4cncn4)C3)CC2)cc1 1856621180 JFYFSSPNMCITDN-KRWDZBQOSA-N 408.462 1.068 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCN(c3ccc(OC)nn3)CC2)CC1=O 1856662792 UUBPUOMDQFRFTC-DLBZAZTESA-N 401.511 1.585 30 10 HDEE COc1ccc(CC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)cc1 1856900939 VAPKDQNOWQYFIZ-UHFFFAOYSA-N 413.455 1.861 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cc(F)c(F)cc3F)C2=O)C1 1857104799 XIECLZHRFMYNFZ-KRWDZBQOSA-N 416.359 1.875 30 10 HDEE CSc1ccc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1857151625 XDDNGECBIZROJA-SFHVURJKSA-N 422.514 1.632 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(F)(F)OC(F)(F)C3)CCC2=O)CC1=O 1857349767 LOCQOYAYPWFCGY-STQMWFEESA-N 421.391 1.304 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(O)cc1 1862625194 AMCZLYKDSBABRY-IBGZPJMESA-N 424.409 1.835 30 10 HDEE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)ccc21 1867204935 BFBSIQVZHQUDLM-QGZVFWFLSA-N 406.442 1.542 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868592522 UWUSQHXQDZKBEF-RBUKOAKNSA-N 404.532 1.739 30 10 HDEE COCCN(CCOC)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCO 1870350529 KBOXBPKOCLKACI-UHFFFAOYSA-N 415.490 1.386 30 10 HDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(N(CCOC)CCOC)ncnc21 1873562647 MROIYFWOMPMEON-UHFFFAOYSA-N 405.499 1.171 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccnc1 1874277597 XMILJRZUJUBKOY-YVJZOELXSA-N 416.507 1.935 30 10 HDEE C=CCn1c(C(=O)N2CCN(C)CC2)cc2c(NCCCCCCO)ncnc21 1875232383 GFQDGSKWOIQUNX-UHFFFAOYSA-N 400.527 1.970 30 10 HDEE Cc1ccc([N+](=O)[O-])c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890106094 LUUNNPRMFKZKHL-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118162410 HGRPZSPJRGRZBW-XELLLNAOSA-N 406.530 1.184 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2118165897 FYHHYXIWKANZMI-RUZDIDTESA-N 408.546 1.431 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2174786850 NUWNBMXPEHJWJC-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H](C#N)C1CCCCC1 2181055347 HMWDMBUSUOHYCI-CABCVRRESA-N 401.529 1.903 30 10 HDEE Cn1cc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912756 LMTJGGIZELGTMR-QWHCGFSZSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247928218 YQYONZLILOMORH-UHFFFAOYSA-N 418.303 1.373 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)NCCC#CBr)C1 2250144281 AQNBISPQHWKXPL-CQSZACIVSA-N 400.317 1.932 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@H]3CN)cc2Cl)OC1(C)C 2267416864 ULAPCDQVKQQFNI-ONGXEEELSA-N 406.766 1.716 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3CC(N)C3)cc2Cl)OC1(C)C 2267710515 WWDVMSNDZMFCBX-UHFFFAOYSA-N 406.766 1.716 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270532599 XWPLCOFAFPZROP-VMWRSERWSA-N 422.503 1.566 30 10 HDEE CC1(C)CCNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332405 AGBLDBWEYZBFRW-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)s2)OC1(C)C 2282333394 NWIMOKAQPCSTBP-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE COC[C@@H](C)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282410755 YDEYXWUUVPFUMY-LBPRGKRZSA-N 404.363 1.534 30 10 HDEE COC[C@](C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282489764 GCSYZXUJBDCTFX-INIZCTEOSA-N 405.347 1.377 30 10 HDEE CC[C@H](N)CN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282491337 KOLLDPZEDHBOQX-AWEZNQCLSA-N 402.391 1.936 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@H]3OCC[C@@H]32)OC1(C)C 2282501719 AUJVLFAKHAUELR-WZRBSPASSA-N 400.331 1.039 30 10 HDEE CO[C@H]1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282509675 NMNBVLOQFIBXNW-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282813529 CPZAPYXECNQJQY-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(F)CC(CN)C3)s2)OC1(C)C 2282852345 NYHSKNDQVKOXDD-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE CC[C@H]1CCNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854565 TZXRVXGCQMLQNB-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCOC2=O)c1B1OC(C)(C)C(C)(C)O1 2284246574 ADRBKIYRLOZCGX-LLVKDONJSA-N 401.315 1.258 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@](C)(C(=O)O)C3CC3)c2)OC1(C)C 2284409741 NALMJMYMMLWVDF-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@]2(C)C(=O)O)OC1(C)C 2284414001 CVOVXINVDQNHTD-INIZCTEOSA-N 401.315 1.426 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3CC(O)(C(=O)O)C3)c2Cl)OC1(C)C 2284466090 MVSSICWSEANPIQ-UHFFFAOYSA-N 401.677 1.409 30 10 HDEE C[C@H](C#CC(=O)Nc1nc(O)nc(O)c1Br)NC(=O)OC(C)(C)C 2302380119 ITLJRPVCBXAEBH-SSDOTTSWSA-N 401.217 1.505 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@H](O)c1cc(I)nn1C 2363506794 FXWQJFGPHORRNW-ZANVPECISA-N 402.261 1.544 30 10 HDEE CCN[C@@H](C#Cc1nccs1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363541566 KDJSUFYCFDMQNF-LSDHHAIUSA-N 413.565 1.897 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CCN(C(=O)OCc2ccccc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c2ccc(F)cc2)C1 34667305 QTHOUQQKUFBSPX-PMACEKPBSA-N 410.486 1.179 30 10 HDEE COc1ccc(/C=N/Nc2n[nH]c(SCC(=O)N3CCN(C)CC3)n2)cc1OC 253574185 SGUCIOPRMPSNPF-YBFXNURJSA-N 419.511 1.134 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1 254392460 ZWXWUBFLSCXHKZ-CHWSQXEVSA-N 400.453 1.682 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)C[C@H](C)C#N)CC2)cc1 409562565 MQUHVMICKFVVTC-OAHLLOKOSA-N 408.524 1.616 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 426804869 WTHBMFHLAJAEIJ-UHFFFAOYSA-N 410.459 1.755 30 10 HDEE CN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 432686280 TVPBYGXJCGPING-UHFFFAOYSA-N 416.297 1.490 30 10 HDEE COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(C[C@H](O)COc2ccc(C#N)cc2)C1=O 433623705 WJCCQHIRPHAYAR-AOMKIAJQSA-N 407.426 1.700 30 10 HDEE C[C@@H]1CN(C(=O)NCCOc2ccc(C#N)cc2)CCN1c1nccn2cnnc12 433818395 DXPDBZUWEYFQSD-OAHLLOKOSA-N 406.450 1.295 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)c(F)c1 440063415 QFETZAOCLHFOEQ-UHFFFAOYSA-N 422.526 1.547 30 10 HDEE Cc1cc(S(=O)(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)ccc1C#N 446825362 ZBZNEDMDTGWREP-UHFFFAOYSA-N 412.515 1.984 30 10 HDEE CCOC(=O)c1c(NC(=O)NCC(=O)NC2CCCCC2)c(C#N)cn1CCOC 460136044 SVZRXMBPIDDQLE-UHFFFAOYSA-N 419.482 1.753 30 10 HDEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1F 471921216 CPALKQWHNOJBNR-HNNXBMFYSA-N 405.473 1.279 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCOC4(CCSCC4)C3)CC2)c1C#N 472075860 QZTDFYMIYUBJED-INIZCTEOSA-N 418.567 1.877 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1 472679378 UMRPNWJZLSMMRA-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 479831515 QQRIHZQWQJGSIM-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)OCC(=O)N2 480507203 WHAOBCJQRABMBH-NSHDSACASA-N 400.416 1.195 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 488138520 MZCHNTIOHWJFSK-KBPBESRZSA-N 406.508 1.543 30 10 HDEE N#CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 506373667 VBZSCOFTLKITDU-UHFFFAOYSA-N 411.483 1.534 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccc(CN3CCCC3)cc2)CC1 506901027 WYOJUSVTHGPXIE-UHFFFAOYSA-N 418.545 1.987 30 10 HDEE Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2c(C#N)cnc3ccccc23)CC1 507840122 DVVIFZGDWGISLQ-SFHVURJKSA-N 405.462 1.649 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 509003237 WHMJGYAYRFDTDT-UHFFFAOYSA-N 409.494 1.950 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC#Cc2ccccc2)CC1 524373466 SOIPVQSCSNPFCH-UHFFFAOYSA-N 412.515 1.478 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(Cc3nccn3C(F)F)CC2)CC1 538148573 YMDFJSZMDFBGCQ-KRWDZBQOSA-N 423.512 1.088 30 10 HDEE CNS(=O)(=O)c1cccc([C@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1 538158761 WEGSDMVFKQYRAQ-AWEZNQCLSA-N 407.517 1.591 30 10 HDEE COC(=O)[C@@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(O)c1 546099866 VAXROQWEMZSHDZ-IBGZPJMESA-N 405.414 1.892 30 10 HDEE CN1CCN(C(=O)CC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)CC1 553756461 ZDFLLKFSJRIRTD-FQEVSTJZSA-N 400.523 1.174 30 10 HDEE C[C@@]1(c2cc(F)ccc2F)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 569381454 HNVMFMQSXMACAA-SFHVURJKSA-N 420.397 1.472 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccccc2)CC1 594669418 MLAHBQKMEIJLAQ-GOSISDBHSA-N 407.499 1.817 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccc(OCC(N)=O)cc1 610035630 ZGZYLRLJCOYHAD-UHFFFAOYSA-N 404.430 1.306 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 670210382 DPUMOHVTIMQIFQ-RDJZCZTQSA-N 421.523 1.774 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCC3)c(OCC3CC3)c2)OC1(C)C 725379943 BMZLJXYCFKZVGW-UHFFFAOYSA-N 423.340 1.796 30 10 HDEE C#CCN(C(=O)[C@@H](C)N1CCC(Cc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 732062063 OVWJZHAXBHGJDC-NQIIRXRSSA-N 402.560 1.979 30 10 HDEE Cc1ccccc1C1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCOCC1 732453558 GBDCFRBLKWKHLC-VXPUYCOJSA-N 412.490 1.869 30 10 HDEE COc1ccc(CNC(=O)N2CCNC(=O)[C@@H]2c2c(C)nc3ccccn23)cc1C#N 747402272 IJGHPEZOTAZBDS-FQEVSTJZSA-N 418.457 1.906 30 10 HDEE CN(C)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 766806279 JOQMPNQDFHPIKC-CQSZACIVSA-N 413.341 1.876 30 10 HDEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cncc3ccccc23)c1=O 772900036 KVCCWAMYVNBRFD-UHFFFAOYSA-N 422.510 1.132 30 10 HDEE C#CCN(C(=O)Nc1cccc(-n2nnnc2SC)c1)[C@H]1CCS(=O)(=O)C1 774034236 UVLILGLJACQRKB-AWEZNQCLSA-N 406.493 1.038 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774193866 AIXONHGRTHJNMJ-JKSUJKDBSA-N 413.540 1.608 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)CC1 786122300 QVZQFOUSCPTJIN-UHFFFAOYSA-N 416.478 1.844 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 788814253 BCNOEBJHCAQTBD-HNNXBMFYSA-N 416.428 1.823 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)NCc1cccc(C#N)c1)S2(=O)=O 790040977 ZRFJDJHUPRAEDV-UHFFFAOYSA-N 415.427 1.036 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)n1 790104664 IVIBRIPLFAGWCV-OAQYLSRUSA-N 408.502 1.991 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 794894351 XEJROBGOJDUXMG-KSSFIOAISA-N 415.446 1.317 30 10 HDEE CS(=O)(=O)NCC1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 796259780 ZCJWUWDJJIVWGH-AWEZNQCLSA-N 406.533 1.734 30 10 HDEE Cc1cc(C#N)nc(N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)n1 804622981 KXQQYDVIJCJZRX-MRXNPFEDSA-N 400.483 1.705 30 10 HDEE C[C@H]1CCN(C(=O)NCCNc2ncccc2C#N)[C@@H](C)[C@H]1NC(=O)C(F)(F)F 806535233 ONTUVRPCXOPRDY-OBJOEFQTSA-N 412.416 1.852 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NS(=O)(=O)c2cccc(F)c2C#N)C1 810702360 PJYCUYJWDQWISC-CQSZACIVSA-N 415.418 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812360135 VCFPGBBXAVSMNI-HIFRSBDPSA-N 409.537 1.179 30 10 HDEE Cn1ccc(-c2noc(CCCCC/N=C3/NS(=O)(=O)c4ccccc43)n2)n1 904870426 SGDUNQFYJMTJAC-UHFFFAOYSA-N 400.464 1.922 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914595291 YBQLDVUAGWURNX-NVXWUHKLSA-N 422.503 1.540 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 928713420 PIMRPZCXHVKUPN-OAHLLOKOSA-N 422.445 1.317 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)cn1 1084259827 KYOQJEMGLPXKAP-UHFFFAOYSA-N 413.511 1.624 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129022063 ZRSNACXLFZMOIU-KBXCAEBGSA-N 401.529 1.223 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1 1130753515 LKQPDMWEBCNRHZ-KRWDZBQOSA-N 414.425 1.656 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)c1OC 1136685814 KMHSNHSOEFARAP-HNNXBMFYSA-N 407.423 1.793 30 10 HDEE O=C(CCCS(=O)(=O)c1cccc(Br)c1)N[C@@H]1CCCN(O)C1=O 1141463820 UKIYNOUDOWDWDM-CYBMUJFWSA-N 419.297 1.499 30 10 HDEE C#CCN1CCCN(C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1147291249 NVPBXUVFOYOIPC-JOCHJYFZSA-N 401.507 1.309 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(c4ccc(C#N)cn4)CC3)sc2n(C)c1=O 1148314847 PQIIVYDAHOTLSA-UHFFFAOYSA-N 409.471 1.585 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H](O)[C@H](O)c1nc3ccccc3s1)C2 1158216572 ZRSWGZRDRPDARN-GJZGRUSLSA-N 400.485 1.791 30 10 HDEE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@H]1CCCN(O)C1=O 1159642536 YFPBSWRUWDJNNI-NSHDSACASA-N 410.279 1.158 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](CO)Cc2cccc(F)c21)c1cc[nH]n1 1164210983 UPMQKPDUSGWKAI-GFCCVEGCSA-N 404.398 1.030 30 10 HDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1167469996 FWNXHAINKOSWKM-INIZCTEOSA-N 412.446 1.677 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2cccc(F)c2)CC1)c1cc[nH]n1 1169963583 JKEXLSCWRKNANE-UHFFFAOYSA-N 403.414 1.181 30 10 HDEE C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176431816 JYVGWVVGDIOLLA-UFIJUMAVSA-N 423.363 1.579 30 10 HDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)c1=O 1189986627 BXLMSLYSDIDMLX-UHFFFAOYSA-N 410.327 1.786 30 10 HDEE N#Cc1sccc1N1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1196082748 CLWDEXHZWUJMIY-UHFFFAOYSA-N 405.505 1.028 30 10 HDEE C#CCNC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1221156070 XUKHZVWMEGIYCB-HZPDHXFCSA-N 405.499 1.197 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)NCCn2cnc(C#N)n2)C1 1228012312 YVRUADNFNCOTMM-GFCCVEGCSA-N 413.429 1.341 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1253779022 IHPZLZFQZCJFOB-DLBZAZTESA-N 422.526 1.278 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CO)C(=O)OCc3ccccc3)cc2C1=O 1254715029 QUDYJMZISFRJHH-GOSISDBHSA-N 408.410 1.303 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CCC1 1286282624 NWWYIWRKUWMFIN-INCQDFKNSA-N 424.534 1.680 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286370017 LOMVLHWOOJPJMU-IRXDYDNUSA-N 408.485 1.756 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1286377144 SUDDJTCMNGWQTE-WUJZJPHMSA-N 407.540 1.261 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1 1286453344 QHUIGANJDLTDML-UHFFFAOYSA-N 400.479 1.867 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1286462775 VRVASEVMMLAGJB-JOCHJYFZSA-N 422.489 1.841 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286504255 PJAZCNGMIKOHSE-BEFAXECRSA-N 400.508 1.486 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@]2(O)C[C@H]3CC[C@H]2C3)CC1 1286638219 WXKPHLXQTNEZKY-YLAKUSLOSA-N 423.583 1.986 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286706448 ONVBACNNMRMMGG-UHFFFAOYSA-N 420.558 1.704 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](OCCOC)C1 1286785342 JGNUVYWYPDUWAI-KRWDZBQOSA-N 400.483 1.274 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1286831177 AYTNOCWLNQELDU-HNNXBMFYSA-N 417.601 1.765 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(OC(F)(F)F)cc1 1294249457 IXABXJVHBJYNED-AWEZNQCLSA-N 414.365 1.640 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C2(C(=O)N[C@H]3CCCN(O)C3=O)CCC2)C1 1298543691 UGYNKUOZPSMPKE-VBKZILBWSA-N 411.499 1.415 30 10 HDEE Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1299293752 WGTGIJUSSUYPOI-RYQLBKOJSA-N 403.504 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@@H]1C 1300314200 CJAPTJFWLMATOL-MSOLQXFVSA-N 407.522 1.695 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCOCC 1301045798 XXDDPDIMDVKCCA-CQSZACIVSA-N 421.951 1.226 30 10 HDEE C=C(Cl)Cn1c(N(C)CCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1301060552 HZPRFLSLCDVTPI-MRXNPFEDSA-N 406.936 1.552 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1301508526 NKQJUNJYAIOPKZ-IBGZPJMESA-N 416.570 1.614 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(C)(=O)=O)C1 1301545910 NIBVCKOJVQONQC-QGZVFWFLSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@](C)(OC)C1 1301588776 JHJQYRPPSOCBLP-QFBILLFUSA-N 412.556 1.778 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CC1 1301806392 FVWLAKJQEAQDCT-UHFFFAOYSA-N 404.496 1.284 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1301957377 WCPHPJYUMSYQSK-KGLIPLIRSA-N 418.479 1.884 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C1CC1 1302292732 CAXPEWQVQDJNQY-XGHQBKJUSA-N 416.526 1.658 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCCCC2=O)c1 1302981968 CDZZHYBAXQXGNX-SFHVURJKSA-N 421.505 1.531 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2)C1 1303534441 HTLFGIQEUQZIFS-UHFFFAOYSA-N 402.495 1.902 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCS(=O)(=O)C[C@H]3C)ccc2c1=O 1303946473 XXNNXWGONLAIKM-GFCCVEGCSA-N 407.517 1.520 30 10 HDEE O=C(Cn1c(O)nnc1O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252970 TYFGKNNAMDVPAY-SYDPRGILSA-N 410.221 1.319 30 10 HDEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)s1 1304776130 ZAKPZMOUDJUFJC-CYBMUJFWSA-N 402.528 1.903 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 1307196578 WQDFBFNJPRVAFI-UHFFFAOYSA-N 413.528 1.948 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)cn1 1309664902 SLUCIRBGGZGGQI-UHFFFAOYSA-N 414.484 1.284 30 10 HDEE COC(=O)C1=CC[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1313013453 TXZFMMWKTJPJEW-AWEZNQCLSA-N 411.418 1.900 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)n1 1313364826 YCXIPPQCJYMYSP-ZNMIVQPWSA-N 410.482 1.850 30 10 HDEE COC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1315944750 RADFUMAAVQRRHB-VKJFTORMSA-N 401.467 1.925 30 10 HDEE Cc1ccc[n+](/C(C(=S)NCCNS(C)(=O)=O)=C(/O)c2ccc(C#N)cc2)c1 1320501716 WRBURJUQGJNCCI-UHFFFAOYSA-O 417.536 1.504 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1 1354103736 DJYWUFAGFWDCFE-UHFFFAOYSA-N 404.496 1.778 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1358929469 AOICDYKXNSRKPI-VQIMIIECSA-N 420.539 1.154 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2ccnc2C)CC1 1359038208 NIEYZCOQFJHZLL-UHFFFAOYSA-N 421.553 1.490 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)SC)CC1 1359040548 ZSYWKSHJIRDBFW-HNNXBMFYSA-N 418.567 1.231 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359207020 WMEYMHCLQSAOCT-UZLBHIALSA-N 405.499 1.927 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359288215 MAYPOWZAQNEEIW-FXAWDEMLSA-N 409.538 1.439 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359293584 URGIWAONLCEJGL-ROUUACIJSA-N 424.505 1.763 30 10 HDEE Cc1c(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)cnn1C 1360977056 CPUMJYGXDBXVKM-MRXNPFEDSA-N 411.441 1.815 30 10 HDEE C[C@H](CN1CCOCC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1441375203 WIROBTDSRMQNEI-CYBMUJFWSA-N 407.312 1.594 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1443910061 JVHMLQWXNLWAIH-STQMWFEESA-N 409.936 1.563 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1445363389 FEHVFDDSLILQBN-UHFFFAOYSA-N 401.282 1.641 30 10 HDEE CC[C@H]1C(=O)NCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1456134617 AHVAZMREEQUWGP-WZHMAMEKSA-N 404.511 1.900 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1461242323 BGTQXQVAXDUYNF-HXUWFJFHSA-N 412.534 1.912 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1463544227 FRTNNMXPEXSSID-UHFFFAOYSA-N 402.419 1.307 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccc(OC)cc1)C1CC1)c1cc[nH]n1 1463718476 YZKAAJLFDPBVIE-UHFFFAOYSA-N 400.435 1.893 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N2CCN(C(=O)CC#N)CC2)C1 1465872355 LANCAGREVCOAGJ-CQSZACIVSA-N 416.482 1.332 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1466404558 HLYJDQHIMVAIAD-DOXZYTNZSA-N 414.524 1.146 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H](CO)Cc2cccnc2)CC1 1467796829 MZLFSFVRDMLUFL-LJQANCHMSA-N 401.507 1.999 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 1471832613 GVWFPXAKUCTAKR-RKCQOLGWSA-N 415.559 1.913 30 10 HDEE C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1472131758 TWISGTRNQYXKBZ-AWEZNQCLSA-N 404.471 1.167 30 10 HDEE Cc1ccc(C(=O)N2C[C@H]3C[C@H](N(C)C)CC[C@H]3C2)cc1S(=O)(=O)NCC#N 1472350307 USROWYWEMHCKTB-RCCFBDPRSA-N 404.536 1.599 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCc4c3ccc(=O)n4C)CC2)c1C#N 1478907309 ZFERLJIQXDTYQX-INIZCTEOSA-N 412.519 1.931 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCO[C@@H]1CCOC1 1492911314 FVEDFVZWLQJKNI-DOTOQJQBSA-N 412.498 1.159 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCCO1 1494476397 DGGHQTARHVCBCK-LPHOPBHVSA-N 413.478 1.759 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCC(F)(F)C(F)F 1499163846 AHANPRJIQFULIV-CYBMUJFWSA-N 404.412 1.934 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1502681286 GEASFVMQJZNMCA-ZWKOTPCHSA-N 404.450 1.041 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507536935 FROSRAABCWXAPS-ZIAGYGMSSA-N 405.528 1.033 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)N(C)CC)c1 1507552420 OMYDLIJRXPEGJE-GOSISDBHSA-N 424.505 1.664 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1507724331 CCGTWYYZYABCPU-UHFFFAOYSA-N 422.512 1.687 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1507731512 KLIIWMOONWSYEF-UXHICEINSA-N 400.571 1.658 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507957885 XFFIHRVBLOXWGW-SJORKVTESA-N 407.515 1.347 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1508066860 HBLQJCUZQRTZFG-HZPDHXFCSA-N 411.572 1.901 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C)CC1 1508073452 NHLGSWWCETZSEX-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1508079856 FINPYOVEBVEVDQ-IYBDPMFKSA-N 401.515 1.121 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509660943 QDOGJTGKSLVSGE-NHCUHLMSSA-N 413.526 1.557 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1512201517 GMHIIDRPNSQYHU-ZJYNUGOYSA-N 424.509 1.831 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)[C@@H]1C 1512285143 FFOFVYSUEZOSIK-SXGZJXTBSA-N 415.519 1.601 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1512496395 FDFUHZSMRKIHIN-KKSFZXQISA-N 412.494 1.020 30 10 HDEE CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1515360388 YTHYTJODSLOVIR-DMEQXSTQSA-N 424.461 1.773 30 10 HDEE CN1CCN(CCn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1517420168 BRHNZLUOABGSRU-HXUWFJFHSA-N 413.505 1.203 30 10 HDEE COCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCCCC1 1518795048 AIBBEZYDEFQBLX-QGZVFWFLSA-N 416.526 1.726 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCc1nc(C)no1 1519409801 OTSXXWQDLPUBQC-QRTARXTBSA-N 403.487 1.922 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCC1 1519436451 LGUOEVZWSPQWCG-ZWOKBUDYSA-N 406.506 1.930 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc(OC)c1OC 1521186245 VNHGQMGVFBMZOV-CYBMUJFWSA-N 420.447 1.474 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CCC2=O)cn1 1521684258 GKXOVQXMTLQPQR-ZDUSSCGKSA-N 407.409 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2ccccc2[C@H]1C(=O)NCCn1cnc(C#N)n1 1525393468 ADUBPYGHTODKIE-KRWDZBQOSA-N 412.450 1.637 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1534197635 CLWHHTSTOFUHQY-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE CC(C)(C)[C@@H]1CNC(=O)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536419731 XONDJXJMEWHVTA-CVEARBPZSA-N 411.462 1.136 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1538987933 XWKJSBVUVRXQOG-AWEZNQCLSA-N 402.886 1.700 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539062432 ACASYHPEULICIB-SFHVURJKSA-N 421.505 1.910 30 10 HDEE C#CCCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539139355 DHKWASICALQVJV-WIYYLYMNSA-N 403.527 1.648 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(=O)NCC)cc1 1539171419 KNZBFYXMIYSEFC-UHFFFAOYSA-N 420.473 1.873 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1nc(C)no1 1539174365 CUYHAGQJUICSQR-UHFFFAOYSA-N 404.434 1.988 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1539224304 FCPATBIQXFTWBT-SFHVURJKSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCO[C@H]1C 1539278676 HSROJCYHMYDXRS-FDDCHVKYSA-N 424.501 1.869 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1539369308 JJROSDJXGVWNNJ-MAUKXSAKSA-N 402.520 1.741 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCS2)CC1 1539446288 BAYZUIBIHSFWEU-LPHOPBHVSA-N 423.608 1.221 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)C(=O)C1 1539606530 HOFUCTMJNXWZKM-UHFFFAOYSA-N 423.315 1.120 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@@](=O)C(C)(C)C 1539650520 RMGYIXMHKGVUFE-RMKBEBRYSA-N 419.617 1.838 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539829817 GOOSSWCPJWGNAY-SFHVURJKSA-N 404.559 1.930 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1540006129 QTLZSAJZSCKJGS-QGZVFWFLSA-N 404.515 1.322 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540870050 DKEBTHGRDGXPOE-KRWDZBQOSA-N 416.526 1.066 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1CC 1540907928 MUMKRWXIZKBLRQ-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1CCOC1 1541923310 XCHUYKQQFAZSSX-LSDHHAIUSA-N 410.544 1.445 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1542790045 QBTGBYHITFYVSW-FLIBITNWSA-N 420.448 1.728 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1544116208 IBKUHQPTIYZJKJ-LZICOFPGSA-N 422.493 1.888 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1545718525 KEZBZYMPTCSUMP-HUUCEWRRSA-N 410.396 1.772 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1558642753 CASQVMAPMDEEAV-OFQRWUPVSA-N 402.394 1.006 30 10 HDEE C[C@H]1Cc2n[nH]cc2CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1560143550 FAISZTOMBQKWPF-KKSFZXQISA-N 410.497 1.952 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1 1561511749 AEHBKOIDKYJLIK-UHFFFAOYSA-N 412.920 1.968 30 10 HDEE C=C(C)[C@@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)c(F)c1 1564595681 CJSAYHRHAITUJG-CQSZACIVSA-N 409.480 1.939 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@H](C)N(C(=O)OC(C)(C)C)C2)CC1 1565173605 QFKARSJVVARNLW-DOTOQJQBSA-N 406.527 1.945 30 10 HDEE Cc1nccnc1N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1567960358 ACDWLTXMHUPPIL-UHFFFAOYSA-N 403.439 1.184 30 10 HDEE CC(C)(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(C#N)cc1 1583354424 YBQQUAZEDCEHSD-UHFFFAOYSA-N 414.487 1.890 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1584883405 VGZLHTJSFRACGK-JTSKRJEESA-N 416.497 1.256 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 1586494199 ZAUQPGLBWRTCOJ-OAHLLOKOSA-N 404.308 1.970 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)Cc2c(C)cc(C#N)cc2C)c1 1586569358 BKHPIOZOFZTWBG-UHFFFAOYSA-N 415.515 1.959 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCNS(C)(=O)=O 1587599902 SOJHEBABRZOUPN-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1587803658 JDRYMLBCYVSIDT-FQEVSTJZSA-N 424.549 1.685 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1cccs1 1587904792 ORCYWKNVPUGBSF-UHFFFAOYSA-N 402.524 1.757 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1587989586 KSJMRODZNHOSGX-SFHVURJKSA-N 401.536 1.382 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1588055382 VTLCQCFMFGJIEF-ROUUACIJSA-N 422.551 1.739 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@H]1OC 1588258727 IAKJIINPTHJTFQ-WCIQWLHISA-N 416.522 1.517 30 10 HDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1588433686 RQLRUMXXVCRZND-UHFFFAOYSA-N 410.566 1.873 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1N(C)CCCC1(C)C 1588638801 XBMLGSOOXVLTOF-IAGOWNOFSA-N 402.543 1.436 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](CC)C1 1588986018 XZXXMWJQJITRNK-KKUMJFAQSA-N 415.585 1.258 30 10 HDEE C=C(C)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1593691128 RCAUAYVJLZTBHK-HZPDHXFCSA-N 411.572 1.854 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1594608422 LTNCUCLMWOZGBC-UHFFFAOYSA-N 405.528 1.563 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1594783962 MUCACDFSIHMVNP-SJORKVTESA-N 407.515 1.393 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1595399303 WFQVMPHZIQTABU-MRXNPFEDSA-N 415.498 1.415 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)cc2)C1 1595593347 BJVYENJYZOTJJR-KRWDZBQOSA-N 403.458 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595805338 NKNAIXUEOVYZST-MRXNPFEDSA-N 409.556 1.279 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCOC(=O)N2)c1 1596612551 WAZFNCQAZWZDAL-SSPLZPMDSA-N 408.480 1.717 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1609768871 VLVDXKKTIYAPGO-UHFFFAOYSA-N 421.505 1.542 30 10 HDEE C=CCN(C(=O)CCn1cnc2c(N)ncnc21)[C@@H](Cc1ccccc1)C(=O)OCC 1616305186 DZEPRLLIXHRCLP-KRWDZBQOSA-N 422.489 1.988 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1619990609 WLONCBWSJWLYGR-CJNGLKHVSA-N 415.491 1.021 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1622145999 HGKFOWZJNWZUAZ-NWDGAFQWSA-N 422.320 1.665 30 10 HDEE COc1ccc(NC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)cc1S(=O)(=O)N1CCOCC1 1624318040 PUFUVDCKZLVZEM-AVYPCKFXSA-N 419.503 1.985 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@@H](c3cc(O)nc(O)n3)C2)cc1Br 1628252285 ZWYKUWDHBJGJJB-LLVKDONJSA-N 419.235 1.917 30 10 HDEE CC(C)(C)OC(=O)C1(C)CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1630826685 PGJXNFYTFKHEIE-UHFFFAOYSA-N 421.519 1.696 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1633044459 HBRMITBOMXXOHO-UHFFFAOYSA-N 406.490 1.572 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)Cc2ccccc2C)s1 1634154657 YCONFJBPEIMHNF-INIZCTEOSA-N 408.545 1.783 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2ncon2)C1 1634458674 VZXJWTCMHDSJTN-AWEZNQCLSA-N 417.491 1.685 30 10 HDEE COCCNc1nc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 1634588346 JJMSSNAUGSWVKD-QGZVFWFLSA-N 413.503 1.533 30 10 HDEE CN(CC(=O)NCc1cncc(C#N)c1)S(=O)(=O)c1ccc(Br)cc1 1635326378 YUPKTKBUXVRONR-UHFFFAOYSA-N 423.292 1.653 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCN(C2CC2)[C@H](C#N)C1)Cc1ccc(OC)c(F)c1 1636438319 YCUYPMHCDISDPH-DOTOQJQBSA-N 417.485 1.121 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cnc(Br)cn3)cc2C1=O 1636454587 UQNOGUOKUKYFMC-UHFFFAOYSA-N 401.220 1.951 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3snc(C)c3C#N)CC2)c(N)c1 1636900246 DOEFZOXIYTZPSE-UHFFFAOYSA-N 419.532 1.661 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1637747476 ZYMNIONBMLBAIL-NSHDSACASA-N 403.298 1.250 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 1640208688 TVOTUKCGIZBAMD-ADXZGYQBSA-N 419.503 1.842 30 10 HDEE C#C[C@@H](CO)NC(=O)c1occc1CS(=O)(=O)c1ccc(Br)cc1 1641574183 HJRAVLSSTYNHNC-ZDUSSCGKSA-N 412.261 1.740 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)OCC 1643652214 LRXDIZATOXMUHA-FUHWJXTLSA-N 424.519 1.772 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c1 1644013008 CCAKYLJXCCKVPS-XMMPIXPASA-N 420.513 1.885 30 10 HDEE Cc1n[nH]cc1CN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1644090063 ICPRFYSYZOGMAU-UHFFFAOYSA-N 409.450 1.618 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1644638771 XVFSBIIJASXOPH-QGZVFWFLSA-N 416.547 1.499 30 10 HDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 1649163451 DDJLZRDHLPYKGG-UHFFFAOYSA-N 415.504 1.426 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1650738826 AEDMWEDHLPLMQR-OAHLLOKOSA-N 410.467 1.058 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H](CN2CCCC2=O)c2cccc(C(F)(F)F)c2)c(C#N)c1=O 1651549557 FQEIQJOLSDYNLR-AWEZNQCLSA-N 421.379 1.740 30 10 HDEE Cc1ccc(-n2nc(C)c(NC(=O)Cn3c(=O)c(C#N)c(C)n(C)c3=O)c2C)cc1 1652133668 BFBFZKSMBZTLPJ-UHFFFAOYSA-N 406.446 1.477 30 10 HDEE CN(C(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)C(c1ccccc1)c1ccccc1 1652959835 FRMFYJNLTYZEGM-UHFFFAOYSA-N 418.453 1.122 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)c1 1653604200 ZZTJYYRNABNZET-HUUCEWRRSA-N 415.437 1.675 30 10 HDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cscc1Br 1654015818 CHHRGTQXOVMJET-UHFFFAOYSA-N 408.343 1.747 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)C1 1654036853 NIDQJERTYROEDW-MRXNPFEDSA-N 415.538 1.952 30 10 HDEE Cc1cc2cc(S(=O)(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)ccc2[nH]c1=O 1655495414 DMKSZZWFJGNOCF-MRXNPFEDSA-N 410.455 1.945 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CC1 1657685357 UKELXFOQJGICLK-UHFFFAOYSA-N 422.510 1.704 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2)C(=O)OC 1668852586 TXCGSFMGTOZRFD-MRXNPFEDSA-N 408.476 1.008 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OCC 1669268372 YSBVDLJJGRQFLB-DOTOQJQBSA-N 411.476 1.729 30 10 HDEE CN(C)CCOCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1671803843 GZLMYOVGSDTBMN-UHFFFAOYSA-N 411.510 1.358 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1681943983 YCQXADHSOKVEEA-CXAGYDPISA-N 415.487 1.475 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c(Cl)c1 1684701127 DWPSQKCSUMJJRJ-IBGZPJMESA-N 419.869 1.264 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1689934403 UJOKPERXKAFPNY-UHFFFAOYSA-N 407.522 1.078 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689988300 MGTFMAOQPBTXRQ-WBVHZDCISA-N 417.535 1.558 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689988695 UOOIPSIRHLOMKD-MJGOQNOKSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1690054418 WDZMMOLZJZPVHV-HSZRJFAPSA-N 419.485 1.997 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)OC)CC1 1690110595 SDPJNNOKCSUTNN-SFHVURJKSA-N 410.522 1.937 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690275165 XHARQSWUUWTPQF-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CC1CCC1 1690723296 MXWSPGJLSMREER-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1693199928 GEWKQCQJBQLLLD-AEFFLSMTSA-N 411.510 1.346 30 10 HDEE CC[C@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694442024 LQZGVQJEUVIXKK-GAJRUTHPSA-N 424.509 1.831 30 10 HDEE CC[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694913107 QGQCPNSMNYPRLR-KOFUXLBCSA-N 400.483 1.892 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CC1 1695873050 GEUIGWCUHBTRAT-MSOLQXFVSA-N 416.574 1.165 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1697061550 GCKDGIQPVACVEX-GOSISDBHSA-N 424.505 1.824 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(OC)CCOC1 1698134497 DKDDRPKKOZMULR-OXQOHEQNSA-N 407.515 1.938 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1698222824 YAVNRFBGZSEDJP-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc4c(c3)OCO4)n2CCSCCCO)CCO1 1698492480 CRARUKBUQMKMDR-OAHLLOKOSA-N 417.491 1.518 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1705567788 ZNEAHBMRUZJIJX-QGZVFWFLSA-N 415.519 1.624 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1nnnn1CC1CC1 1705596085 RNZACAKYVCDSFD-UHFFFAOYSA-N 401.478 1.556 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1705604233 IGQNJRKPTMDKGH-OAHLLOKOSA-N 423.514 1.908 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@@]2(O)CCN(C)C2)CC1 1705635247 UXRVBBFJCHTERB-ZJSXRUAMSA-N 422.577 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)COC)CC1 1705647165 ADUNANGZURJSMG-AEFFLSMTSA-N 403.527 1.420 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1705728531 NQEVQTKZQFTENI-YLJYHZDGSA-N 402.499 1.608 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705891440 FQDOFIVOROQYDH-MRXNPFEDSA-N 401.478 1.827 30 10 HDEE CC1=CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1707690400 AIGITWPAJXWLII-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)F)CCN1C1CC1 1712884908 VQKGLKRCJDMCJT-ZIAGYGMSSA-N 409.441 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1722288089 VUSLBCBXBSDGNM-AWEZNQCLSA-N 418.457 1.716 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1722371096 HBVGWIUTVMRDRB-HKUYNNGSSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1722382103 DZHJSBBBRLIWDG-SFHVURJKSA-N 423.492 1.879 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCOCC2)CC1 1722565835 CHSCRYBPIPLCAG-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1722615463 QTEQKUZHLAMAHK-OKZBNKHCSA-N 402.543 1.742 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)C[C@H]1N1CCOCC1 1726673331 XUHBEYGTKXQAOG-DBXWQHBBSA-N 423.565 1.924 30 10 HDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)O)cc1OC 1728857566 GJIPCGYLNJERBV-HNNXBMFYSA-N 401.467 1.852 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1729606368 GUGQWRDKRNCGEV-UHFFFAOYSA-N 401.515 1.416 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1729698150 CKBCVSFZZSCVKL-GDLZYMKVSA-N 414.535 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1740553057 QQYBVRZCGJQJON-BZSNNMDCSA-N 407.584 1.903 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1740582032 JNSYRELEJNTYSY-UHFFFAOYSA-N 415.519 1.431 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740607225 IZXYSIPRTIGDBP-UHFFFAOYSA-N 407.453 1.829 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740617915 YWYDVFBXCVSRIL-SQNIBIBYSA-N 423.583 1.139 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccccc2C)CC1 1740694629 OZHHORZFJKCKRO-IBGZPJMESA-N 422.533 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1 1740751675 NKJUREBZHMBDHG-FZKCQIBNSA-N 413.544 1.095 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740786792 OQVOINCJJFDDCR-XHSDSOJGSA-N 404.471 1.848 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740885099 XHYAHGUPRLQGBG-QGZVFWFLSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(Cn2cccn2)CC1 1740960554 UUEJETANWISGNN-SFHVURJKSA-N 413.526 1.587 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCCS2(=O)=O)C1 1740976743 MWYQBHRBRNKMNH-OAHLLOKOSA-N 406.512 1.090 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1741257159 DFJDEQAJHNJOLF-NRFANRHFSA-N 413.478 1.495 30 10 HDEE CC(C)N1CCC[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1741623479 HBIVEUVTXYVNSR-GVDBMIGSSA-N 401.515 1.078 30 10 HDEE CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1745482531 HJVBKDYMTRWTHU-KRWDZBQOSA-N 414.514 1.498 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1748648869 FYRYKPIXGGKNGJ-ZHRRBRCNSA-N 405.506 1.860 30 10 HDEE COc1ccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1748795925 BVLNQVADRKAHHB-HNNXBMFYSA-N 409.450 1.473 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ncn(C)n1 1748868807 JGDLIXGAWYKFOK-UHFFFAOYSA-N 411.473 1.975 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCc2nccn2C1 1748868850 KMRDFCXLDMPFOI-XXBNENTESA-N 422.533 1.852 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1748880295 QFBCBLKKFZCCSV-OAQYLSRUSA-N 412.515 1.266 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1748936101 MYWXUHYHENDZLY-UHFFFAOYSA-N 411.506 1.390 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1748978534 LYUJBOZNVKNGLE-DENIHFKCSA-N 416.570 1.026 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)C(=O)OC(C)(C)C)CC1 1748987053 PHLOFDMDKVUESN-UHFFFAOYSA-N 413.526 1.895 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749401700 CLFCICYZPJNOLK-IAGOWNOFSA-N 421.567 1.738 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C)N1CCOCC1 1749499536 IOVQYDJIRVUGAL-HNNXBMFYSA-N 404.540 1.613 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1749667080 SIGRQCQTWCYUJL-CQSZACIVSA-N 420.477 1.233 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1749732099 PKWPDVMPNDLYIT-HNNXBMFYSA-N 420.539 1.907 30 10 HDEE COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1749779193 COPVNXFWKCNVEC-ROUUACIJSA-N 406.531 1.320 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOCC(F)F 1750155360 ZGQFAYIMFIDWJJ-LZWOXQAQSA-N 415.441 1.403 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1760098774 WVCGCTGVLSUMDR-LSDHHAIUSA-N 423.514 1.907 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1760174764 HYPNFBITWBTQQZ-GOSISDBHSA-N 417.535 1.232 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCC1(O)CCOCC1 1760204622 WYZOTVCFIYDCKX-UHFFFAOYSA-N 408.502 1.882 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760226543 GWJWKWYNDWQLBL-UHFFFAOYSA-N 415.519 1.334 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CN2CCCC2)CC1 1760259950 IUAUCUYHJLPDTF-GOSISDBHSA-N 413.570 1.106 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1760294664 DBHINTGLGUPWOF-OXJNMPFZSA-N 416.551 1.571 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCCn1cnnn1 1760297805 JEOWAVGRYQSDCW-OAQYLSRUSA-N 422.493 1.935 30 10 HDEE C=C(Cn1c(N2CCN3C(=O)C(=O)NC[C@@H]3C2)nnc1C(C)(C)C)c1ccccc1 1760364757 BHDJHJRIWBLZLC-QGZVFWFLSA-N 408.506 1.436 30 10 HDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1760417840 JGGPZYVFXXCIJS-SQNIBIBYSA-N 408.506 1.901 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760451249 CVOZDXDNHJREKS-UYAOXDASSA-N 418.586 1.812 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](COC)C1 1760518022 GCLMDJNQWGVQBB-MRXNPFEDSA-N 405.886 1.752 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760554124 SEELNKIHXQHYMB-IKGGRYGDSA-N 421.567 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760555114 XEJXMHDTPYHJCJ-OAHLLOKOSA-N 418.585 1.091 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCOCC2)CCOC1 1761273883 IZMHFMOWZOWBIR-UZLBHIALSA-N 407.515 1.599 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1762689923 ADESAPNWDPWDBE-OAHLLOKOSA-N 404.478 1.460 30 10 HDEE CCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)cn1 1765321666 AAPOYQKGUFRZCU-UHFFFAOYSA-N 405.466 1.930 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1767767779 AYQMVZJCHUGZMI-UHFFFAOYSA-N 405.462 1.841 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@H](C)CC#N 1767844301 GSHIZELDWMAFSW-ZIAGYGMSSA-N 424.502 1.845 30 10 HDEE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851725372 ODHSZNBQXQAQDI-HRAATJIYSA-N 408.458 1.847 30 10 HDEE C#CC[C@H](NC(C)=O)C(=O)O[C@H]1CON(c2ncc(C(F)(F)F)cc2Cl)C1 1851809335 WRITXSLQAIOZSX-YPMHNXCESA-N 405.760 1.945 30 10 HDEE COc1ccc(N2C[C@@H](NC(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2=O)cc1 1852010760 XKGLDGWWQSJVLG-AWEZNQCLSA-N 404.430 1.762 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1852525886 WBAJXPIRCRAURR-UHFFFAOYSA-N 424.832 1.764 30 10 HDEE COCCn1c(C(=O)O[C@@H]2CCc3cc(C#N)ccc32)cc2c(=O)n(C)c(=O)n(C)c21 1853041104 ZPZUZOSGJVLUDH-GOSISDBHSA-N 422.441 1.401 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 1853096206 RVKBCJZEJPPPBP-UHFFFAOYSA-N 402.458 1.797 30 10 HDEE CC(C)S(=O)(=O)N1CCN(C(=O)C2CCN(c3ccccc3C#N)CC2)CC1 1853135208 QTADNAZRXKXHHN-UHFFFAOYSA-N 404.536 1.657 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2nncn2C)c2ccc(F)c(F)c2)CC1 1853517330 XQKXUHDTMWTSIQ-UHFFFAOYSA-N 411.434 2.000 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CC(COc4ccccc4)C3)C2=O)CC1=O 1853650560 AXNJWWKPUSQOMF-ICSRJNTNSA-N 411.502 1.549 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCn2cnc3ccccc32)C1=O 1854282443 IRWXSNKWABDORS-RTBURBONSA-N 409.490 1.273 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)[C@@H]4CCCO4)C3=O)CC2)n1 1854439866 QNEIASLLOIBHCS-OALUTQOASA-N 412.490 1.741 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCC(Oc4ncccn4)CC3)C2=O)cc1 1854553893 ZZEDBYUWDSZHJV-LJQANCHMSA-N 405.458 1.562 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)c3cnc4sc(C)nn4c3=O)C2=O)CC1 1855126076 QQZLNIXPMYDLFM-HNNXBMFYSA-N 401.492 1.633 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1855436632 FMMQJDWDKFSQJJ-QGZVFWFLSA-N 407.474 1.516 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)CC1=O 1855957935 ZXMGWSYVFMRZCV-FUHWJXTLSA-N 410.474 1.031 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1CCC#N 1856197897 ASPNJXYRAQJDCE-SJORKVTESA-N 418.519 1.060 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCC#N 1856198183 FZLUGZXWPBKCCE-OLZOCXBDSA-N 400.426 1.604 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cccc(Cl)c3)C2)CC1=O 1856806040 WSJFGGILXNQLQK-OCCSQVGLSA-N 414.867 1.222 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(OC)nc2)C1)[C@H]1CCN(C)C1=O 1857055559 GBZOYOXQAQKICQ-RDJZCZTQSA-N 400.479 1.188 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C(=O)C2)cc1 1857378413 HJAGXVYQWFRLFD-LJQANCHMSA-N 406.442 1.606 30 10 HDEE COc1c2ccc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3=O)cc2nn1C 1857389581 ZWFRNLHAJYFHRS-UHFFFAOYSA-N 403.442 1.938 30 10 HDEE N#C[C@@H](C(=O)CN1CCN(c2nc(N)cc(O)n2)CC1)c1nc2ccccc2s1 1859428053 HPKAFDSMGPKPIM-LBPRGKRZSA-N 409.475 1.373 30 10 HDEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCC2(CC1)OCCO2 1870423161 KDPDFAZVMSSIDJ-UHFFFAOYSA-N 420.506 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNS(=O)(=O)c2ccc(C#N)s2)C1 2118166778 GPXVHAQYEHBEBJ-GFCCVEGCSA-N 401.510 1.924 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2118169596 OHCLOIWEBZKZFQ-WDEREUQCSA-N 400.423 1.512 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174778814 BHULVRJOBCHRHM-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174788599 HAPGKNCHUJHFKS-JYCPIGSLSA-N 420.557 1.479 30 10 HDEE N#Cc1cc(F)cc(S(=O)(=O)Nc2ncc(I)cn2)c1 2189859194 DZYIEHYVBVFAHP-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE CCn1nnnc1CN(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2196303477 FHLLKVLKUJTKCP-UHFFFAOYSA-N 423.124 1.786 30 10 HDEE C#CCN(C(=O)[C@@H](F)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2199073291 HNMUDGDPOSEQNF-XGUBFFRZSA-N 402.488 1.277 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217441728 IIWBAMGTWUITSA-HZPDHXFCSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243430517 SDXMQJPZCZUULE-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247865297 SKYMUNNPORCNGK-CYBMUJFWSA-N 424.303 1.536 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2269035537 GIERJBOIYRVJDN-UHFFFAOYSA-N 409.360 1.205 30 10 HDEE CC(C)(CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)CS(C)(=O)=O 2282199400 GBWODEXRVYEMKP-UHFFFAOYSA-N 401.359 1.848 30 10 HDEE C[C@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333735 SAMMPZOWBWJMLX-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CCCCN3)s2)OC1(C)C 2282348800 POHPYQSAFQUHCK-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC4(CNC4)C3)cc2Cl)OC1(C)C 2282425575 RHPMMBSFLIWHKO-UHFFFAOYSA-N 418.777 1.731 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282489478 DLGHSVKCGPJQBX-CHWSQXEVSA-N 401.359 1.856 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CNC[C@H](F)C2)OC1(C)C 2282499121 AJSBYYNDGNVADC-OLZOCXBDSA-N 404.338 1.167 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2[C@H]3CCCO[C@H]32)OC1(C)C 2282500573 ZABGRCUNDXLFOR-RAIGVLPGSA-N 400.331 1.039 30 10 HDEE C[C@@H]1C[C@@H](CN)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507053 BFUDCYHDAWQRCS-OLZOCXBDSA-N 400.375 1.546 30 10 HDEE CC1(C)OC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@H]1O 2282617603 KWGKLLISZRPHSZ-CMPLNLGQSA-N 401.721 1.969 30 10 HDEE CC1(C)OC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@H]1O 2282617606 KWGKLLISZRPHSZ-ZYHUDNBSSA-N 401.721 1.969 30 10 HDEE CN([C@@H]1CCCC[C@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848221 KUQMYYHILTVFOV-CHWSQXEVSA-N 401.359 1.971 30 10 HDEE CN[C@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282848544 ONKPILWTJYMIAD-OKILXGFUSA-N 400.375 1.856 30 10 HDEE CCN1CC[C@H](N(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282850981 VVCBKEFCWZBXIL-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2COC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282871325 FFWRZOMVIAKYIG-ZWNOBZJWSA-N 401.359 1.977 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282888409 OFSJXYSUAIGXNR-ZDUSSCGKSA-N 400.375 1.607 30 10 HDEE CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284403403 POXOBZKEPHRIKZ-NSHDSACASA-N 403.331 1.921 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1C[C@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1 2288590866 PQZOLRSODVMYIA-GJZGRUSLSA-N 401.529 1.822 30 10 HDEE COC(=O)CSc1nnc(C2CC2)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2320867921 BVXXEWFJLPWBOM-UHFFFAOYSA-N 419.419 1.982 30 10 HDEE C#CCOCCOCCN[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2346682040 APDUEWZQYPSGHC-OAQYLSRUSA-N 404.463 1.498 30 10 HDEE COC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2361733944 QSDIBDHUYNGWAS-NSHDSACASA-N 415.264 1.903 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367797886 OMJMDPKEVYSUSF-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(NC(=O)OC(C)(C)C)C1 2367810383 XDBKTDUSHCYWIG-HVEKOLDVSA-N 400.541 1.353 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813196 AOSBNUSZJPOARD-VCBZYWHSSA-N 400.541 1.435 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCCCNC(=O)OC(C)(C)C 2367819406 SKAGCDUQXUJNAE-YJBOKZPZSA-N 402.557 1.601 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H](O)[C@@H]1C(F)(F)F)C(F)(F)F 2370251209 AGHYUADPDLHSLH-KCRUCZTKSA-N 404.229 1.900 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CCC[C@H]2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2374104091 BYKICFDGLJFOAF-FZKQIMNGSA-N 402.513 1.562 30 10 HDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)NCc1ccc(F)cc1 20292667 WHVIEOHGRMAOPG-LSHDLFTRSA-N 400.443 1.381 30 10 HDEE Cc1ccc(OCC#CCNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cn1 90742567 IMVYRQUKTDHDAZ-UHFFFAOYSA-N 413.499 1.987 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cc([N+](=O)[O-])ccc2=O)cc1 109934335 XUIUZMFBXAXHHP-HNNXBMFYSA-N 413.415 1.168 30 10 HDEE CC(C)N(C[C@H]1CCCN(CCN)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208090255 GPISYBAGRJRQDA-KRWDZBQOSA-N 403.380 1.661 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 254443146 SXFLGAJDTFDFCV-KBPBESRZSA-N 414.480 1.330 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 261368714 LTWQBLAJKLBNFS-UHFFFAOYSA-N 424.530 1.121 30 10 HDEE O=C(O)[C@@H](CCS)NS(=O)(=O)c1ccc(I)cc1 382414540 KUFRCEVOYFJOLC-SECBINFHSA-N 401.247 1.343 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N(C)CC(=O)Nc1cc(Cl)ccc1OC 409526583 AHPCRRWIFMMYEE-GFCCVEGCSA-N 402.904 1.945 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)C1=O 410123241 YSPGDTYMVIRPCJ-UXHICEINSA-N 406.486 1.668 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 429454221 NRVFQSVCEDGHPU-FMKPAKJESA-N 424.461 1.647 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CSCc1ccc(C#N)cc1 439926668 WSWDDFRLXOTZPR-AHCXZYCDSA-N 402.472 1.743 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)CC1 443548032 CQZBOJNYNJZGGQ-PCKAHOCUSA-N 407.496 1.106 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)(C(=O)OC)C1(C)C 444559962 COJPGRXOIXRADB-IIBYNOLFSA-N 411.462 1.803 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@@H]1COc2ccccc2O1 482899748 MZYUECQRIFAYGD-HZPDHXFCSA-N 408.462 1.798 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 488138521 MZCHNTIOHWJFSK-KGLIPLIRSA-N 406.508 1.543 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 503618632 MCZJDJMRZIROMT-CZUORRHYSA-N 408.418 1.709 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(-n3ccnn3)cc2)CC1 535508119 VIEDYXSCIYSVQU-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE COc1cccc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)c1 538148713 BOASGHPSOXIXOJ-LEWJYISDSA-N 400.523 1.761 30 10 HDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 543262335 OKOWMSYMRSESED-OAHLLOKOSA-N 402.451 1.039 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 549645731 YXBGNBFSFHLKLW-PMPSAXMXSA-N 413.544 1.048 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(C(=O)N4CCCC4)C3)cc2C1=O 552636905 BZRULRPSWYYOQU-INIZCTEOSA-N 410.474 1.879 30 10 HDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 557705637 ULJYJUYXKLGXME-GOSISDBHSA-N 423.538 1.487 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2[nH]nnc2-c2ccccc2)CC1 581357535 GULAZXXCUPUIHJ-UHFFFAOYSA-N 422.470 1.490 30 10 HDEE C[C@@](CNC(=O)c1ccc(C#N)nc1)(NC(=O)c1ccc(C#N)nc1)C(F)(F)F 585749263 XDPRIQXPIVZGOF-KRWDZBQOSA-N 402.336 1.701 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)cc1 603798484 LYIARBZPPCORGF-KRWDZBQOSA-N 411.527 1.425 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3cccc(C(F)(F)F)c3)nn2)CC1 606829274 CMBLSHSVGRCWLE-UHFFFAOYSA-N 422.411 1.346 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3nnc(O)n3CC)CC2)c1 645125930 PONWEVJYIVDRQU-UHFFFAOYSA-N 419.507 1.488 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(C)nn1[C@H]1CCN(Cc2ccccc2)C1 679531094 QXXFCJDMXZVCOR-IBGZPJMESA-N 411.506 1.896 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@H]1CCS(=O)(=O)C1 729331236 ABGYHWSPVLNHIO-CVEARBPZSA-N 404.488 1.005 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 731861544 FGEKHXBMFBXCSW-ISLYRVAYSA-N 406.483 1.666 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(c2cccc(Cl)c2)CC1 732465529 HGHZCVMRSJPBFX-ZCXUNETKSA-N 403.870 1.698 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CCN1C1CC1 732669026 FTPRWPARHDJGLF-CQSZACIVSA-N 416.425 1.340 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCN1C1CC1 732707895 HUGBVPBGKWKWBT-OAHLLOKOSA-N 423.395 1.116 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC2CC2)cc1 737230158 XYGYBBNCMVCGKB-OQKWZONESA-N 406.508 1.744 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1 739523576 ZMWSGQZDKRHJAD-NPXGJPSDSA-N 419.503 1.680 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1N1CCCS1(=O)=O 741073944 SVLDPWCVYSVTHU-QGZVFWFLSA-N 403.508 1.739 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 756072563 LSKXUIDODFJYRC-XMMQZVGTSA-N 421.523 1.048 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](CO)C(=O)O 757470204 DCYMVGRKJZIGNY-LJQANCHMSA-N 408.410 1.090 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)NO1 765374800 ZIPPXISPRPXVFY-GWCFXTLKSA-N 416.297 1.841 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)cn1 772274945 HZHAFTFEOQDHTJ-UHFFFAOYSA-N 417.494 1.037 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 772280620 YKEXZOKOSBYYJR-INIZCTEOSA-N 412.515 1.504 30 10 HDEE C#CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774037386 XIDWVXXOZVIXMU-IXDOHACOSA-N 405.520 1.954 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774225400 JKMADXBPXKYOOZ-ICSRJNTNSA-N 418.563 1.029 30 10 HDEE CSc1nc(O)c(C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C#N 775426147 OACNYMWDBUOQFH-LBPRGKRZSA-N 408.480 1.746 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](O)c2ccccc2)c1 776600559 JUWVQDQFDFJPSP-IRXDYDNUSA-N 404.444 1.068 30 10 HDEE Cc1ccccc1CN1CCN(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780205253 LHBGGTOWJSVESR-JOCHJYFZSA-N 407.470 1.788 30 10 HDEE Cc1nc(F)ccc1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 782119809 PCZYSFZPPZXSQX-UHFFFAOYSA-N 423.426 1.904 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@@H]2CCOC2)C1=O 784125320 IJCXZWDYSBGHGI-MLGOLLRUSA-N 405.476 1.910 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)S/C1=N/CCc1ccccn1 790016654 NPVGPLOKXQDVDV-MHBXNMGHSA-N 417.579 1.791 30 10 HDEE N#CC1(CS(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCC1 790020778 MCCJKWSAGUWKIX-UHFFFAOYSA-N 403.448 1.161 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 799967554 JTTRQNLOEOXGBO-INIZCTEOSA-N 403.483 1.687 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 811139889 KUMFQLPMEAYTED-UHFFFAOYSA-N 420.443 1.989 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)N[C@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O)C1CC1 812285939 DHDOOZBZJXKTHO-XOBRGWDASA-N 405.499 1.889 30 10 HDEE N#Cc1ncccc1COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 813308556 GFDWIAVGEPDJDD-UHFFFAOYSA-N 405.407 1.470 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCCc2cnn(C)n2)C1=O 814701506 BBKBTTABZRUPLB-MRXNPFEDSA-N 400.508 1.824 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 823286885 ARRGHGUQDPRONK-QWHCGFSZSA-N 401.444 1.628 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849579226 ZSXKSSCJKBLSEJ-PCCBWWKXSA-N 420.517 1.639 30 10 HDEE CCCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 916876600 CEOPVTMOEXNJQV-HOTGVXAUSA-N 424.523 1.707 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC2=O)cc1 928990856 YSJOZYXGCUIWMI-OAHLLOKOSA-N 414.487 1.961 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccco3)n2N)cc1 1084303884 LWSVTSWRBNNFOX-UHFFFAOYSA-N 401.452 1.448 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NC(C)(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084391424 LIRBJQZJRWUTSO-UHFFFAOYSA-N 423.455 1.880 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1=O 1124723124 HKBYWKTXCPOSCA-ZDUSSCGKSA-N 410.434 1.118 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)Cc2ccc(Br)cc2C#N)C1=O 1126809066 OJNGGRLJNSLFHF-ACJLOTCBSA-N 419.279 1.700 30 10 HDEE Cn1ncc(Br)c1CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1135854004 SIYAYZGGOWVSMF-UHFFFAOYSA-N 419.283 1.811 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCNC3=O)cc2)s1 1135908861 QUVRAKQJOVOTAU-UHFFFAOYSA-N 420.516 1.923 30 10 HDEE C#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)cc1 1141043144 PFEISIGNOMSRAR-UHFFFAOYSA-N 400.456 1.439 30 10 HDEE C#CCOc1ccc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1146478213 OVTIZPAECMNKQL-KRWDZBQOSA-N 408.863 1.630 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CN(C)CCO1 1150039812 YCXFRMLTQAZGLP-YVEFUNNKSA-N 407.312 1.592 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1170911646 CAFRCYGYJMNYPE-NIQRWSHPSA-N 407.467 1.110 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1286297945 DRBUHTWMZXTTDF-MRXNPFEDSA-N 405.510 1.692 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)Br 1286366813 BQZZKTFVFXHRCQ-UHFFFAOYSA-N 423.225 1.978 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1286382540 SIPGHLGMVVHVHL-IYBDPMFKSA-N 404.515 1.644 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1286386390 ZGZZXXQPDBUMLV-UONOGXRCSA-N 422.473 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCC(C)CC2)CC1 1286476608 AFPNQNBGAQMCAH-UHFFFAOYSA-N 424.597 1.946 30 10 HDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(N)=O)C1 1286500413 STNPWAHIURHWKA-LLVKDONJSA-N 423.340 1.714 30 10 HDEE C=CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1286683511 SMHRTZQFIWNRLW-INIZCTEOSA-N 403.531 1.767 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3Cl)n2Cc2nnn(C)n2)C1 1286804518 LYIVPLRKDPKJQU-CYBMUJFWSA-N 400.874 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCC)[C@H]2CCS(=O)(=O)C2)s1 1290603135 FVTUVZRKHBQDCL-ZDUSSCGKSA-N 420.578 1.181 30 10 HDEE CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1292381930 KOTOFXCKJSZCRI-SFHVURJKSA-N 411.462 1.094 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@H]21 1293032567 NGHJOPADYUEQPC-YBYWRRSNSA-N 416.275 1.977 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 1293033078 SRWQUDCJDZUOLC-HTXNQAPBSA-N 403.460 1.127 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@@H](C(=O)C3CC3)C2)C1 1297345762 KAVDNQGIMQZYMY-QGZVFWFLSA-N 418.291 1.963 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-c2nnco2)cc1 1297439177 FIDLZMXVRYNJJE-CYBMUJFWSA-N 411.443 1.591 30 10 HDEE CO[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1299678146 MQQVZYDAWXQJLF-CJNGLKHVSA-N 416.482 1.796 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@@H]1CCCO1 1300268636 UKYIVNACTVOCOE-IRXDYDNUSA-N 412.494 1.969 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1300271092 GOMGSWWTSAMYQS-OLZOCXBDSA-N 411.478 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1300308901 DZPUJIFSPXRLSL-CABCVRRESA-N 407.515 1.815 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300545000 FLTRQTHZJZGPBM-GOSISDBHSA-N 404.522 1.804 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1300671074 BGQWYGPWTZZPED-HZPDHXFCSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(CC)CC)CC1 1300686204 YIGJTFUYGCPKRV-DENIHFKCSA-N 418.586 1.416 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccnn2)CC1 1300766489 DOMWMWZIJOQXMC-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1301220282 SWBYOJATKYJACG-KRWDZBQOSA-N 405.418 1.728 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1301480872 FSCYORXVDBZGNW-BBWFWOEESA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1301491091 DIUMVYPZPYXIFD-JOCHJYFZSA-N 410.522 1.548 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ncnn1-c1ccccc1 1301965158 HTXHCJMROMDSMO-OAHLLOKOSA-N 400.450 1.960 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@H](C#N)C2)o1 1303427972 DKBZRGNKBCIVGA-ZIAGYGMSSA-N 409.464 1.372 30 10 HDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1303869067 DTCZHUFCOMRVKB-UHFFFAOYSA-N 415.515 1.922 30 10 HDEE CN(C[C@@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(F)(F)F 1307541887 LLBFPFFFYJVTBN-CYBMUJFWSA-N 413.400 1.783 30 10 HDEE Cc1nc(-c2cccc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)cs1 1308100725 RHRCKMBNOLNMDL-KXBFYZLASA-N 416.528 1.927 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1314135804 AQLKQWGMAONYGL-UZLBHIALSA-N 405.499 1.354 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(F)c2)CCO1 1316540799 OHNSAPAPFOSUCX-GOSISDBHSA-N 412.469 1.901 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1320961022 JKYUGXPLEYTVRG-UYAOXDASSA-N 419.497 1.830 30 10 HDEE CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1349784891 AZKVKPUUBGOJRA-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE C#Cc1cccc(NC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)c1 1353346673 XWAJZVULDKUJRQ-FOIQADDNSA-N 404.488 1.888 30 10 HDEE CCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 1354740307 DIGGORBAJGNAHG-LQFHHUIYSA-N 406.508 1.696 30 10 HDEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1356378163 OXQPTFNHYGAELR-UHFFFAOYSA-N 409.471 1.640 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359009597 UEPGONYXCJBDOI-INIZCTEOSA-N 421.567 1.288 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCn1cnc2ccccc21 1359022999 VCKWZDTUEUKWKY-UHFFFAOYSA-N 402.462 1.871 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](COC)OC)CC1 1359032793 CVUWHYSGWRDNME-KRWDZBQOSA-N 413.478 1.090 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1cnn(C)c1 1359048567 VOHZFCQDOMMJDQ-UHFFFAOYSA-N 401.540 1.641 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359096633 FCEIGKNDIHJPOZ-KURKYZTESA-N 417.535 1.945 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1359107738 UGFXVOOCLYLWRG-STQMWFEESA-N 407.487 1.715 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359133436 RSHJYLGBMCOVFO-ZWKOTPCHSA-N 419.526 1.202 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN(C(C)=O)C1 1359278493 WXNQKNQTWQTFRD-KRWDZBQOSA-N 406.531 1.314 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC(F)(F)C1 1359327392 ZNZAOISQCFDYKF-UHFFFAOYSA-N 419.498 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)OC 1359327588 FYOFSYIQDROICZ-UHFFFAOYSA-N 402.480 1.934 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1360486544 QQCDHVNSBRDFLV-XJKSGUPXSA-N 409.494 1.432 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2(=O)=O)C1 1360784178 AARLTOAAQIZXPJ-QMTMVMCOSA-N 420.539 1.327 30 10 HDEE C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccnn1C 1438655202 VLPHKOGUMABWRX-AWEZNQCLSA-N 401.492 1.570 30 10 HDEE N#Cc1cc(NC(=O)Cn2ncc(=O)c3ccccc32)ccc1N1CCC(O)CC1 1446022225 JUUTZBMCBDAKFE-UHFFFAOYSA-N 403.442 1.868 30 10 HDEE CC(C)CN(Cc1cnn(C)c1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1450994357 NUYQCNUCQCDHIH-UHFFFAOYSA-N 417.535 1.924 30 10 HDEE N#Cc1cccc(ONC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1454682216 KWYMIJMROMVHOV-GOSISDBHSA-N 405.414 1.518 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1456474130 HJXRYPNLIGIPQI-FQEVSTJZSA-N 413.499 1.999 30 10 HDEE Cn1c(C#N)ccc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1456990961 OVZSKLBMGSQQSX-UHFFFAOYSA-N 423.445 1.823 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC 1460134128 YSZMFKJZSWRRKC-KSZLIROESA-N 401.463 1.722 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(c2ccc(C#N)cn2)CC1 1460503869 OTTNQCUADFUPPS-CQSZACIVSA-N 413.503 1.807 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C[C@H](O)COc2ccccc2C#N)C1 1460874745 GYBSGZBPMKWRHJ-UWJYYQICSA-N 405.495 1.650 30 10 HDEE Cc1cc(O)nc(N2CCC[C@H](NS(=O)(=O)Cc3cc(C#N)ccc3F)C2)n1 1464524634 DLMVFWKTHNXHPP-HNNXBMFYSA-N 405.455 1.590 30 10 HDEE N#Cc1ccc(OCC(=O)NCCNC(=O)c2ccc(O)cc2)cc1Br 1465978654 NOHOMPCPJLAQIT-UHFFFAOYSA-N 418.247 1.951 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(CC(C)C)c3ccccc23)CC1 1471451410 SBOOEBYNAUQJPY-UHFFFAOYSA-N 402.520 1.523 30 10 HDEE C#C[C@H]1CCCCN1C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1472290583 QYBBNACXASSOLR-INIZCTEOSA-N 406.504 1.921 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(C#N)(c2ccccn2)CC1 1473423524 QUTRDLJXQWYUJY-UHFFFAOYSA-N 411.428 1.418 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccccc1C#N 1473543192 IEOHBPMGBYRCML-INIZCTEOSA-N 407.492 1.328 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1478463145 UHERERGKQURILR-AZUAARDMSA-N 402.495 1.647 30 10 HDEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1478496321 CKJVIYFEGBTRNT-ZJOUEHCJSA-N 418.563 1.723 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N3CCN(CCC#N)CC3)O2)C1 1478996588 JKRKXNUAUIHLHN-INIZCTEOSA-N 407.515 1.396 30 10 HDEE C=CCN(CC=C)C(=O)CN(C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1479736684 OKQILDADKXFPPJ-NHHWGVFUSA-N 401.551 1.923 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnn(CC)c2)CCOC1 1502681135 CJBXXURLWCPNEL-MOPGFXCFSA-N 403.462 1.637 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1505045964 UANQXRQAKZRAEJ-LJQANCHMSA-N 424.505 1.681 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCO[C@@H]1C 1507602506 BEIMSZGYBHUGFM-PXAZEXFGSA-N 408.300 1.655 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ncccc2C)CC1 1507715642 FQXCRUNWVLWCDK-UHFFFAOYSA-N 416.489 1.432 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@@H]2C)CC1 1507721252 REFDYYMPGAMNJG-IBGZPJMESA-N 419.533 1.293 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1507751395 NTBZUGVQYLTJIC-ZACQAIPSSA-N 403.552 1.501 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)[C@@H](C)CC 1507773399 RLYCOTFGECTVND-SQGPQFPESA-N 407.584 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC)C(=O)C1 1507796514 BASMFIBYYJUBAY-LPHOPBHVSA-N 411.510 1.775 30 10 HDEE COC(=O)[C@]1(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@H]1c1ccccc1 1516425857 RQAAXARPQJBTMH-PGRDOPGGSA-N 407.474 1.596 30 10 HDEE CC[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516918644 JJAUDCJDLXLBFB-HYDGNGQDSA-N 416.507 1.433 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cc1C(N)=O 1518635218 FMUWELFDLLFHCR-LLVKDONJSA-N 413.821 1.706 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(=O)OC)C2)ccc1F 1536698941 XPOKFCJAKLQEFU-LIRRHRJNSA-N 410.467 1.705 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539142826 VTDYYNCXKGEAJM-TWOQFEAHSA-N 403.483 1.446 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1539162365 VNUIHIISMFZVNI-AWEZNQCLSA-N 416.869 1.665 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1539272228 VRSIAFOOHVQVGE-UHFFFAOYSA-N 403.490 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@@H]1C 1539337118 DUYPHNUWTNRTRB-OEMYIYORSA-N 402.495 1.005 30 10 HDEE C#CCSCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1539530465 HZMWSUAVBTXMGC-HXUWFJFHSA-N 421.567 1.259 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1539713397 NXQVYLZFACZDBB-UHFFFAOYSA-N 407.312 1.534 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCc3nccn3C2)CC1 1539828002 CSKBIYUTJSOGRX-HOTGVXAUSA-N 419.555 1.504 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1540198866 RLGBDUQIRHFZJT-DLBZAZTESA-N 412.556 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCO)C1 1540889411 LNOGGPMOFRHQJN-OAHLLOKOSA-N 403.483 1.950 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2CCOC2)CC1 1540902160 BUERAWLQTWBJGX-ROUUACIJSA-N 424.567 1.636 30 10 HDEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1541759320 CNYMGSJHJLFFEC-KRWDZBQOSA-N 403.508 1.865 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1543169758 UGHBHTKXYWWPBR-UHFFFAOYSA-N 406.504 1.518 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCOC1 1548175109 MGONAAMIWJDOJN-QGZVFWFLSA-N 411.510 1.834 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1552423717 UMGRQYIOLUYNOB-WRONEBCDSA-N 412.519 1.444 30 10 HDEE CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1554485488 CMHKSTUUCTVGPB-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@](F)(C#N)C1 1555495024 LGHWTPGSSRLFMC-GOSISDBHSA-N 421.502 1.717 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1)C(=O)OC 1556971016 OSDNCOXILRJVJD-INIZCTEOSA-N 406.866 1.882 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2[nH]nc(OC)c2Br)c1 1558037978 QIZFPAJZSKYRCB-UHFFFAOYSA-N 413.253 1.345 30 10 HDEE Cn1ccnc1C1(O)CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1558181780 WMLMZYDCJHTOGI-UHFFFAOYSA-N 409.490 1.957 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1558330325 ZSOXMHDZGADHNH-JKSUJKDBSA-N 415.490 1.279 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCS(=O)(=O)N1CCCC1 1558591094 RMUIXZBJBYBJCU-UHFFFAOYSA-N 404.492 1.593 30 10 HDEE CC(C)(C)C(=O)NCc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1558806319 LDNJNZFHHAHZHF-UHFFFAOYSA-N 409.446 1.180 30 10 HDEE C[C@@H]1CN(c2cccc(CN(C)C[C@H](O)CC3(C#N)CCOCC3)c2)S(=O)(=O)C1 1559795709 MLSJOMAPNZXNPK-YLJYHZDGSA-N 421.563 1.976 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1)C1CCOCC1 1561770057 BUQWLYJSTCNHEV-INIZCTEOSA-N 418.512 1.684 30 10 HDEE C#Cc1cccc(NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 1562074020 LOIFEXBXVSRXDT-UHFFFAOYSA-N 413.503 1.336 30 10 HDEE C#CCN1CCCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1565815363 CPWNHQYQGNWNOP-IBGZPJMESA-N 415.490 1.402 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O 1566544171 QKUPKGWBPOXKMD-CHWSQXEVSA-N 405.417 1.963 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 1568692979 JFCFKKZXUQWCKV-IRXDYDNUSA-N 419.323 1.424 30 10 HDEE Cc1c(C(=O)N2CCN(CCC#N)CC2)cc(Br)cc1S(N)(=O)=O 1587541236 ATHZXCZEANHESM-UHFFFAOYSA-N 415.313 1.076 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCCO 1587620180 AZSWUDCROZVVGE-HNNXBMFYSA-N 410.478 1.049 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1587626751 OFDRDCOJJSDZOD-CQSZACIVSA-N 421.461 1.894 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588049523 HVOXARTYEMJLAA-MRXNPFEDSA-N 418.567 1.488 30 10 HDEE CN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCN2CCO[C@H]1C2 1588135023 YZFHYOMVLBKDTN-OLMNPRSZSA-N 402.882 1.496 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1(=O)=O 1588660563 XHPGIZXPCXVMBP-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCSC2)CC1 1588780506 RGHCYSGOPFUJIQ-NRFANRHFSA-N 413.547 1.577 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(C)CCCO2)CC1 1588929680 FPHYDXKRTUGOON-DYESRHJHSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1588985353 RAZMFHUGECVUKR-HRBLRVMOSA-N 408.568 1.966 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595405761 WXEKZKOAFHWIEI-KUHUBIRLSA-N 406.483 1.603 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1595418728 XQFAKUNPGPRMJH-NQIIRXRSSA-N 423.565 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCn2nc(C)nc2C1 1595488726 APLHMGRWHYXSBW-UHFFFAOYSA-N 412.885 1.821 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)[C@H](C)CC(N)=O 1595517145 QLEMQEVOJGVWAE-CQSZACIVSA-N 407.478 1.496 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595544775 LCPOFKCTWBPHQD-HOTGVXAUSA-N 415.498 1.550 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1595700193 LXFNFLDTQYSQLX-QGZVFWFLSA-N 416.507 1.147 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1612878308 SCZZCHBPIMZRSZ-MAUKXSAKSA-N 410.478 1.289 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCS(C)(=O)=O)cc1 1619234079 GXIHWICUAOQBKB-LJQANCHMSA-N 421.498 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)O2)C1 1620610925 GXDYQZVUXMRYOH-MPGHIAIKSA-N 411.524 1.025 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)N1CCC(C(=O)N3CCCC3)CC1)C2 1620641995 BVAKVOYZLWUUEW-UHFFFAOYSA-N 401.536 1.421 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccccc2Oc2ccccc2C#N)C1 1623714422 XSJHWCHUTMUCTK-UHFFFAOYSA-N 400.460 1.571 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](Cc2nc[nH]n2)c2ccccc2)c1 1625478624 ZTNAYNPUAAUPHR-KRWDZBQOSA-N 413.434 1.955 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CO)NC(=O)OCc1ccccc1 1627263944 DNCNZYNHOWNTQZ-LJQANCHMSA-N 402.447 1.964 30 10 HDEE C#CCSCCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1632028357 XCLDDGNDIKNGMB-RDYUPDBUSA-N 410.536 1.905 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)NCC#C[C@H]2CCCCO2)cc1 1633813402 LIDFDYCQWFNFSD-GOSISDBHSA-N 407.536 1.993 30 10 HDEE C=C[C@](C)(O)CC(=O)NC[C@H](O)COc1ccc(I)cc1 1635846616 HEBQLGVJCHKGTO-WFASDCNBSA-N 405.232 1.474 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)NCC#N 1636290127 YSEJQNUGHIXMGR-IBGZPJMESA-N 424.482 1.882 30 10 HDEE Cc1ccc(C(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1636396922 NNILGROWQRRBJO-MRXNPFEDSA-N 400.284 1.961 30 10 HDEE C=CCOC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O)C(=O)OC 1638630709 URPAORWUCMDIAC-HOTGVXAUSA-N 403.435 1.060 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1639797279 GQXMLDNNGIFSGI-UHFFFAOYSA-N 422.356 1.402 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CCOCC1 1640487302 PXHHOSDORDSJSE-GNJLHFKMSA-N 410.474 1.226 30 10 HDEE N#CCCCn1cc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c2ccccc21 1640668309 HMDPYISBPHDECJ-OAHLLOKOSA-N 403.508 1.733 30 10 HDEE COc1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(Br)cc1O 1640802231 JVAIRRADIBFILM-WUKNDPDISA-N 424.251 1.696 30 10 HDEE C=CCC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1640864128 PRFOWIOIPCZEFR-DLBZAZTESA-N 412.446 1.777 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2cccc(F)n2)CC1 1641173103 FRHMPUNFMRSFHI-CQSZACIVSA-N 417.466 1.108 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1641349387 LEGNKSWCEXSHHV-UHFFFAOYSA-N 415.471 1.147 30 10 HDEE COC(=O)c1cc2c(cc1NC(=O)CNC(=O)c1ccc(C#N)cc1)OCCCO2 1642730443 CPUZIFXJHFQDSY-UHFFFAOYSA-N 409.398 1.875 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(CCCOC(C)(C)C)CC1)c1cc[nH]n1 1643580857 XJQKBRINMSBDKC-UHFFFAOYSA-N 423.514 1.043 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](OC)c2cccc(OC)c2)c1 1646328372 XNBFYJGAEIJGSF-LJQANCHMSA-N 402.472 1.724 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1648101873 GJDMOHVHEKGOPT-UHFFFAOYSA-N 411.480 1.388 30 10 HDEE COCCn1cc(CNC(=O)c2ccc(COc3ccccc3C#N)o2)c(O)nc1=O 1650866070 FLKAFJWUJCLQKP-UHFFFAOYSA-N 424.413 1.569 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)CCO3)cc1 1652455783 MJXMXFMMPDKNEW-INIZCTEOSA-N 407.492 1.025 30 10 HDEE C[C@@H]1NC(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)=NN(c2ccccc2)C1=O 1652920275 XQWWZIAFMVYAHY-KXBFYZLASA-N 403.442 1.797 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1655326196 CODNFYMULICMDB-GXTWGEPZSA-N 419.322 1.661 30 10 HDEE Cc1cc([C@]2(C)NC(=O)N(CC#CCN3C(=O)c4ccccc4C3=O)C2=O)c(C)o1 1656255891 NJEICDFXFASKEX-QFIPXVFZSA-N 405.410 1.963 30 10 HDEE Cc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)[C@H](C)CC#N)cc1Br 1669271837 CVTLWDFAOYKEOW-UKRRQHHQSA-N 418.357 1.977 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 1671100703 IZEZKNDSCVHVKI-XVKPBYJWSA-N 417.281 1.928 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)CCOCC1 1674442943 FGWCXJSHNOKPHD-UHFFFAOYSA-N 414.506 1.676 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 1679241052 GTQFAXJBRJLZRC-HKUYNNGSSA-N 414.506 1.764 30 10 HDEE C=CCN(C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H](C)COC 1679624769 BLZLABQDJXCLSE-IHPCNDPISA-N 400.523 1.818 30 10 HDEE C#C[C@H](NC(=O)N[C@H](CO)c1ccccc1I)[C@@H]1CCCO1 1681816690 XGDMKMWRMZRDRJ-ZNMIVQPWSA-N 414.243 1.805 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 1682352598 PVWJQAYTNSYUQJ-LNLFQRSKSA-N 420.535 1.042 30 10 HDEE CSc1ccc(CNC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)cc1C#N 1685267113 RFLPAYWXVJKNAQ-AUUYWEPGSA-N 401.492 1.942 30 10 HDEE Cn1cc(CNC(=O)N2CCN([S@@](C)(=N)=O)CC2)c(-c2ccc(C#N)cc2)n1 1686078828 MFTBIFHIRUVEMQ-MUUNZHRXSA-N 401.496 1.378 30 10 HDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1689924273 AVTQNKZBYYXYBN-IBGZPJMESA-N 419.489 1.495 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1689988400 OEKPFMQVAUZHCA-LJQANCHMSA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1689998134 CKOKIKJYKNDIJN-DLBZAZTESA-N 410.540 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCC)c(OC)c1 1690025543 VKJFJMGZNVCGCH-UHFFFAOYSA-N 421.501 1.929 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1ncn(C)n1 1690031683 UBUJMVASFCDVLB-UHFFFAOYSA-N 416.489 1.787 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690040708 LWKNHEIAFHAVKC-GOSISDBHSA-N 411.531 1.690 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC1CCCCC1 1690056501 VQSOSCVXGHUWEK-UHFFFAOYSA-N 400.527 1.813 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)OC(C)(C)C1 1690669386 CQZMQGGMYTZMMQ-CYBMUJFWSA-N 416.482 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)Cc1c(C)nn(C)c1C 1690726615 GMSFCGMPFZADST-UHFFFAOYSA-N 406.556 1.818 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690971164 NPZIVCCEZHLMME-UHFFFAOYSA-N 421.461 1.908 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1692346638 KFXGWUVTTABJGE-BBWFWOEESA-N 404.515 1.535 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1693547701 KDKLPCYNQIEZTD-RHSMWYFYSA-N 421.505 1.398 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CCO1 1696962520 KHAMKQIOUPAWQW-SFHVURJKSA-N 412.494 1.321 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2ccnc2C)CC1 1705637492 ZRWRQQPTGVZALD-UHFFFAOYSA-N 400.490 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CCC(=O)NC)CC1 1705646263 CTKOGIZCCWEEGD-UHFFFAOYSA-N 422.533 1.609 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N(C)C)CC1 1705647366 CSRZNDBECFIVSB-AEFFLSMTSA-N 402.543 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2([S@@](C)=O)CC2)CC1 1705648526 YMORLXYYKYDICI-MUUNZHRXSA-N 403.552 1.423 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CC=CCO2)CC1 1705648910 CSYSCZHURPWFMT-SFHVURJKSA-N 408.506 1.595 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705672883 KFSTXZUFWQLQIT-AUSJPIAWSA-N 400.483 1.152 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2CCCC[C@H]2C1 1705686347 WMGOQQQHMFCOOE-UONOGXRCSA-N 409.332 1.812 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705896894 BDOYWFHBWXAJLL-QRVBRYPASA-N 422.533 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1705898605 RATUOZKWIWGQIB-AWEZNQCLSA-N 400.483 1.074 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](OCC)C1 1705937458 ULIOMBVVHTZQAL-SFHVURJKSA-N 419.551 1.870 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(OC)CCOC1 1709136851 AARJYNQQEFUCFH-NRFANRHFSA-N 414.485 1.983 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@](=O)CC 1710735569 NWTXOZFITUKUCA-GDLZYMKVSA-N 417.539 1.176 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@H]2C)CCO1 1711360351 GTBGIQWNMCADLA-LZQZEXGQSA-N 424.505 1.441 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C2CC2)C1 1712710554 KUJDOEGBAPTVMR-SFHVURJKSA-N 414.535 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1722297313 YXLGMXZDPTWRHA-IRXDYDNUSA-N 407.584 1.760 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)c(OC)c2)CC1 1722428890 CLHJDJQCJGQUIE-UHFFFAOYSA-N 410.522 1.537 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)OCC)CC1 1722446843 AFHSAPMWUJIWMN-KRWDZBQOSA-N 403.527 1.563 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722534228 JLGDSPJHFCQRDK-UHFFFAOYSA-N 411.510 1.777 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1722697635 NIAIGWYVIDJZGG-NVXWUHKLSA-N 401.515 1.622 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)N2CCOCC2)C1 1722718516 LAXXRYHSMGRLPH-MSOLQXFVSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](C(F)(F)F)C1 1722727227 GWYQHNDJKFISSR-ZDUSSCGKSA-N 410.462 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722728133 UMAJQBOLAMTOBZ-UHFFFAOYSA-N 407.540 1.251 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C)C1 1722730603 XBWGDJNUWNCKTN-CQSZACIVSA-N 423.564 1.717 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCCNS(C)(=O)=O)cs1 1725226101 RHVMKLDNKPTADT-GFCCVEGCSA-N 411.557 1.312 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC(=O)N1C 1726666222 HWTPFEAPFKRHJC-OAHLLOKOSA-N 414.535 1.599 30 10 HDEE COCCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1730687637 PCNMVCGHNJBEHD-FWWJWKNHSA-N 404.471 1.129 30 10 HDEE COCCO[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730894668 FKKYVIYAERQBRJ-UHHPSXQGSA-N 418.498 1.170 30 10 HDEE C#CCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@]1(OCC)CCOC1 1740596421 FFAZYKMCXOZBOQ-QFIPXVFZSA-N 413.522 1.309 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740614435 RCHPLMVJKVTPDQ-HNNXBMFYSA-N 400.414 1.054 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)CC1 1740692502 KELHRSZETZWGPT-LJAQVGFWSA-N 408.531 1.483 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)cc2)CC1 1740696633 ZEOQDAAAWHBSFK-IBGZPJMESA-N 408.506 1.075 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CCOC)CC1 1740698650 IZCHBNWFGJAOGL-UHFFFAOYSA-N 402.543 1.218 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCN2CCOC[C@@H]2C)CC1 1740699202 XWQNPJGOWZOBOU-NRFANRHFSA-N 422.577 1.539 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)C1 1740762548 FHOGBBIOVJDAQK-XLIONFOSSA-N 413.526 1.399 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740811286 PTRXRPJZDVHQOG-KBPBESRZSA-N 408.890 1.301 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NCCOC)CC1 1740947916 LLEQEUVHJIVTGP-UHFFFAOYSA-N 404.540 1.799 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OCC)n2)CC1 1740948507 JTSVUCJEUJINCA-UHFFFAOYSA-N 412.498 1.102 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740963815 XYKNCTKNKOAYFJ-APWZRJJASA-N 424.505 1.892 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740991350 URZMCZVTHWHMGD-CQSZACIVSA-N 408.484 1.026 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1741001335 ROMAQHPEZIHXPM-UONOGXRCSA-N 408.528 1.425 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1(C(N)=O)CCOCC1 1741517508 FYKSGZJPRGBABQ-QGZVFWFLSA-N 418.542 1.830 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C(C)C)cs1 1742577937 OPCZWETXVODVAX-GOSISDBHSA-N 405.503 1.848 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1744801748 BDMZMCQSCHATFD-RHSMWYFYSA-N 407.482 1.925 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)C)CC1 1748724901 LSKKHXYOIQINGV-UHFFFAOYSA-N 400.527 1.509 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCCC2=O)C1 1748765513 JZLYAAILUKRJTP-LNLFQRSKSA-N 401.511 1.617 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1748864000 MSNPETHXDBCJHT-CQSZACIVSA-N 420.926 1.448 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)Nc2ccc(F)cc2)CC1 1748987387 WHBQKGHQRTXRGL-UHFFFAOYSA-N 422.468 1.212 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1749234330 DRGYDHIAJLOJJP-BRWVUGGUSA-N 403.508 1.711 30 10 HDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCOC1)c1ccccc1 1749242738 REGLZZAYYJGJFQ-RDJZCZTQSA-N 405.524 1.827 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749266477 ICMDZSGHSBXFFJ-MRXNPFEDSA-N 408.934 1.673 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CCCCS1(=O)=O 1749828676 GFJQEPXUJYBWHE-INIZCTEOSA-N 420.539 1.617 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1750381093 IBOZMWTWVDMBPH-LSDHHAIUSA-N 402.405 1.553 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@@]1(O)CCOC1 1750977924 DQDITJLVAZHNAX-FGSXEWAUSA-N 424.505 1.311 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760150432 HNQZCXGZVLRXCI-UHFFFAOYSA-N 409.538 1.744 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CC(OCC)C1 1760199398 VTMGLLBZULEIOW-UHFFFAOYSA-N 424.501 1.965 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCNc2ccccn2)CC1 1760262835 DGTMHKDDWCCBQD-UHFFFAOYSA-N 416.533 1.916 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1760495760 WKGLCRSDFDLYNG-HNNXBMFYSA-N 403.508 1.811 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2nnn(C)n2)C1 1760548055 XRZBYBDDULMCCJ-AWEZNQCLSA-N 414.445 1.349 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)CCOC1 1765870095 CGFHGVHXCDMCAC-NRFANRHFSA-N 419.526 1.602 30 10 HDEE CN(CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1767373211 SPAZNMADDBJFDI-LSDHHAIUSA-N 406.487 1.725 30 10 HDEE CCO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767721575 NRQGODJOEDRGOJ-ZBFHGGJFSA-N 419.507 1.698 30 10 HDEE COCCCN(C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1771038027 CRLQFJKFQXXCEB-UHFFFAOYSA-N 417.558 1.612 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2C1 1848915399 MRNNDYKTFCNEEZ-UHFFFAOYSA-N 424.526 1.974 30 10 HDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)c1cc2n(n1)CCC[C@H]2N1CCOCC1 1851342029 ZOELCDJEZFQXSG-LJQANCHMSA-N 417.473 1.782 30 10 HDEE N#Cc1cc(CNC(=O)[C@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)ccn1 1852162084 QOVLPZIWVLNPRC-IBGZPJMESA-N 404.536 1.639 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)C(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)CC1 1852986321 MZZYBFPGHZXFSW-UHFFFAOYSA-N 408.336 1.416 30 10 HDEE COc1ccccc1C(=NOCCF)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853601121 KCKMBKQKBKFTEO-UHFFFAOYSA-N 407.423 1.816 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2onc3c2CCCC3)C1=O 1854083173 YUZPNBGOURYVFE-ROUUACIJSA-N 414.506 1.793 30 10 HDEE C=CCN1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c2ccccc21 1854310590 BYJXCPGTAXLWRV-QGZVFWFLSA-N 410.518 1.885 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cccc4c3OCO4)C(C)(C)C2=O)CC1=O 1854378164 KIRIBFUJURVKKX-MRXNPFEDSA-N 413.474 1.399 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)c2cnc3sc(C)nn3c2=O)C1=O 1855375871 VMOBLBKDKFLNNJ-UKRRQHHQSA-N 401.492 1.631 30 10 HDEE N#Cc1ccc(C(=O)O[C@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)cc1 1855421451 SKDOEAIMXZWCJI-GOSISDBHSA-N 402.428 1.740 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(Cc4cccnc4)CC3)C2=O)cc1C#N 1855651319 HEMFFKRCQQFRTR-NRFANRHFSA-N 403.486 1.821 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)[C@H](F)CC3CCC3)C2)CC1 1855840409 XAASPKHCHIRZHC-IEBWSBKVSA-N 413.497 1.979 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1856155703 NCGIKSZYQUHCFC-GOSISDBHSA-N 417.531 1.851 30 10 HDEE CC(C)n1nc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)ccc1=O 1856279690 RSSRNRLUWVIOQP-UHFFFAOYSA-N 409.446 1.059 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4cnoc4C)CC3)CC2=O)CC1=O 1856287334 YYPNYAUTFYZKIL-ROUUACIJSA-N 414.506 1.605 30 10 HDEE CS(=O)(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856942354 ZVIUDBBKWATAAB-SFHVURJKSA-N 417.531 1.375 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(COc3cccc(C#N)n3)CC2)CC1=O 1857107629 BUDWOBSOSORTMX-KRWDZBQOSA-N 400.479 1.456 30 10 HDEE Cc1cncc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)c1 1870159102 FYRSDJRQQBJQLD-UHFFFAOYSA-N 402.462 1.847 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCCC(=O)OCC)cn1CCOCCO 1870372053 FCMUCVPMXPXOSO-UHFFFAOYSA-N 422.522 1.753 30 10 HDEE C=CCN=c1nc(Nc2ccc(N(CC)CC)cc2)[nH]c(N(CCO)CCO)n1 1871698863 DNCWDAJVGMUYCY-UHFFFAOYSA-N 401.515 1.272 30 10 HDEE COCC[C@](C)(O)CNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1889419996 AIZKBAUEZMVVPF-ZVDOUQERSA-N 419.547 1.855 30 10 HDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985150101 LSUXJHAVGZYBAA-ZWKOTPCHSA-N 418.494 1.694 30 10 HDEE C=CCC1(NC(=O)c2c(Br)nnn2C)CN(C(=O)OC(C)(C)C)C1 2006274919 QAVGZFXXARVTBF-UHFFFAOYSA-N 400.277 1.873 30 10 HDEE O=C(O)[C@H](CS)NS(=O)(=O)c1ccc(Br)cc1Br 2026943245 SZJLHCUGCFTGBJ-ZETCQYMHSA-N 419.116 1.873 30 10 HDEE C[S@@](=O)CC1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2052616313 NZRBMMMVFODXQU-XMMPIXPASA-N 415.162 1.958 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2118167288 ILMBTUIYGLKWDR-NSHDSACASA-N 400.423 1.512 30 10 HDEE N#CC1CCN(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 2118168811 UQBYCKYHQJJSBQ-GOSISDBHSA-N 422.507 1.094 30 10 HDEE COCC1(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243379441 JZUMRORZMUKRSS-UHFFFAOYSA-N 408.304 1.621 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NCc2cnn(Cc3ccccc3)c2)OC1(C)C 2247814238 PGJWNHNFXCMFQV-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815377 ZPCWMHLVFOGYQR-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)Nc2cnn(Cc3ccccc3)c2)n1 2247816592 OVIAWVVTHWLCKF-UHFFFAOYSA-N 408.271 1.611 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247828480 OILPBYOJOBBGSI-FKIZINRSSA-N 418.303 1.448 30 10 HDEE Cn1ncc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c1CNC(=O)OC(C)(C)C 2248406182 ZHCGUSOSYAYZQQ-UHFFFAOYSA-N 418.303 1.809 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)Cc1cn[nH]c1 2255876551 OBYMMAHCLDZVQN-UHFFFAOYSA-N 422.298 1.680 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2281796757 XXXYHJIDYQXWFX-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCO[C@H](CCO)C3)c2Cl)OC1(C)C 2281948014 YEUQZFBJHNGEMW-LLVKDONJSA-N 401.721 1.924 30 10 HDEE CCN1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282416463 WMDDVQVRBIDRDI-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NO[C@H]3CCOC3)c(Cl)c2)OC1(C)C 2282494379 YAMYLPUMGZDWJX-LBPRGKRZSA-N 403.693 1.638 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N=[S@]2(=O)CC[C@H](N)C2)OC1(C)C 2282505190 AAJLZKFGMIOKPN-VDBVYFBLSA-N 420.387 1.076 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NCC2(S(C)(=O)=O)CCC2)OC1(C)C 2282607011 IBCLBZGNGTUWIR-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282632081 GPCDVUBBDYCLIM-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CNCC[C@H](C)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282837985 YWRVRGSWHRQKAZ-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE CCC[C@@]1(O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282851473 CIUANVBRABRZKN-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284402637 KHAZCDHZUKFKEC-NSHDSACASA-N 403.331 1.969 30 10 HDEE C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284411423 JZBFBQQYJMZTBG-ZYHUDNBSSA-N 401.315 1.674 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(CO)(C(F)F)CC1)C(F)(F)F 2289999352 RQLKLVADNLUMNY-JTQLQIEISA-N 400.266 1.852 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC(F)(F)[C@@](C)(C(=O)O)C1)C(F)(F)F 2295481348 IYYHNLNXOFVAKS-BDAKNGLRSA-N 400.222 1.554 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccncc1 2331273855 XHBYTXGZPPHUCN-UHFFFAOYSA-N 400.464 1.746 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338652809 FXTVWLHVMSEKDB-KGLIPLIRSA-N 401.554 1.583 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2342068291 DBXQTRSJVPTZSL-LQWHRVPQSA-N 420.531 1.365 30 10 HDEE CC#CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C 2363125602 UPXNSGSLCIJKIS-UHFFFAOYSA-N 415.537 1.315 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(COC)C=CCN1C(=O)OC(C)(C)C 2365196970 RNLRUTLRZQDZAY-HNAYVOBHSA-N 400.541 1.593 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2365202427 NYGMQSWGMNOALN-CABCVRRESA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C12CC(NC(=O)OC(C)(C)C)(C1)[C@H](C)O2 2365207593 ADKKTPSPGQTFIX-GAVPKDGKSA-N 400.541 1.616 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)CCN(C)C(=O)OC(C)(C)C 2365210203 JSVHULQJBREWAZ-HZPDHXFCSA-N 404.573 1.799 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2365212948 RYZHYWPYCYLGBZ-ARFHVFGLSA-N 404.573 1.845 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](CC)(COC)NC(=O)OC(C)(C)C 2367792483 OZEMPHCTTMWIGI-HNAYVOBHSA-N 402.557 1.865 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367795120 KWOUGSDNUBGVIE-SUMWQHHRSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2367834028 OGPZGSZATUEWPL-KHYOSLBOSA-N 400.541 1.163 30 10 HDEE Cc1cc(C)c(-n2nnn([C@@H]3C/C(=N/NC(N)=S)[C@H]4OC[C@@H]3O4)c2=S)c(C)c1 20598190 CXYFULPYEICJMC-CZQAIQGWSA-N 419.536 1.599 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccccc2Br)CC1 27900485 WWVJVZSTGIKMQK-CQSZACIVSA-N 409.328 1.696 30 10 HDEE N#CC1CCC(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 442978631 DBPKAPBSMYGLGG-NHHFINERSA-N 409.552 1.542 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460396049 WOFIRSOFPRAEAN-HNNXBMFYSA-N 417.535 1.982 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 468184563 WMPHAXDMUSSJRZ-CXAGYDPISA-N 416.434 1.207 30 10 HDEE C[C@@H](C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)n1cnc(C#N)n1 500288228 NMSWIHFMWCODIB-ZDUSSCGKSA-N 408.466 1.530 30 10 HDEE O=C(O)[C@@H]1CCC[C@H]2SCC[C@@H](NC(=O)[C@H](S)Cc3ccccc3)C(=O)N12 504680711 LVRLSYPNFFBYCZ-QKPAOTATSA-N 408.545 1.941 30 10 HDEE CC(C)(C)n1nc(-c2ccccc2)cc1NC(=O)C(=O)NCCn1cnc(C#N)n1 508337514 DCRYKBGLEJMQHN-UHFFFAOYSA-N 406.450 1.523 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508510714 RTARJEXNEQDZLG-LJQANCHMSA-N 415.523 1.141 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508951032 LFUGTFSKZDSOOS-YOEHRIQHSA-N 403.508 1.610 30 10 HDEE CC(C)[C@@H](C)NC(=O)C1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 512275353 SGUTZPRQXZHUPW-MRXNPFEDSA-N 419.547 1.872 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 535889996 VRXCLIKEXGOROL-DHXZDTOLSA-N 407.492 1.020 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1nn(CC)c2ccccc2c1=O 536796705 POIAPOFKACITEF-UHFFFAOYSA-N 408.418 1.956 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1C 540340443 HWUNHRLWOIIVGT-UHFFFAOYSA-N 418.475 1.607 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC(N2CCS(=O)(=O)CC2)CC1 544819574 QOJFDCXOZCVMSG-FQEVSTJZSA-N 419.547 1.683 30 10 HDEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546196310 BJAYONMKCPJLBH-MRXNPFEDSA-N 413.503 1.747 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCCCO2)CC1 555503346 USHCDCSGWYXFEV-ROUUACIJSA-N 404.559 1.785 30 10 HDEE C=C(C)[C@H](CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)OCC 559240417 JASFHGQHVPQIDR-XLIONFOSSA-N 417.554 1.321 30 10 HDEE COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1C[C@H]2CC[C@H]1C2 566048817 VLLZQGQYFDKWPD-LNLFQRSKSA-N 401.511 1.640 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@H]2CCOC2)CCO1 575106974 KQFOMPVHBFHQFG-IEBWSBKVSA-N 408.506 1.996 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C 587405112 KPFQPSYUYMOFMS-UHIISALHSA-N 405.398 1.403 30 10 HDEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 603504135 ACQRONDTINTUKH-KRWDZBQOSA-N 423.491 1.033 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 610035187 TWBKTKMCDNQJJH-SFHVURJKSA-N 415.519 1.797 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615486747 OHDPYWNLDBSEDA-OAHLLOKOSA-N 414.487 1.322 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 619421478 PAEQRQHSWTVDOC-INIZCTEOSA-N 412.943 1.767 30 10 HDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1=O 619843530 JIFAUUZKUCNWQL-GOSISDBHSA-N 424.432 1.952 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)CC1 727800394 NPHJFCOZGPPNEJ-CQSZACIVSA-N 411.384 1.765 30 10 HDEE COc1cc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OCC(=O)N(C)C 732677236 UJJMCLDKDRWOHK-QGZVFWFLSA-N 415.494 1.044 30 10 HDEE N#CC(C#N)=c1sc(=Cc2occc2Br)c(=O)n1C[C@@H]1CCCO1 735295285 RQFHKPZOOPBAQV-NSHDSACASA-N 406.261 1.471 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCC(C(=O)N2CCCC2)CC1 743889874 DDHXPEMXNLVADJ-UHFFFAOYSA-N 401.438 1.637 30 10 HDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCN(c2ccccc2F)C1=O 746253369 KMIAFMFATPNXBN-IJYGLTAASA-N 400.410 1.306 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Cc1ccc(C#N)cc1 749848556 UJUXNFZSQYFWSQ-UHFFFAOYSA-N 400.479 1.638 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCC#Cc1ccc(C(F)(F)F)cc1 756744796 GDGYKGUCHHLIRQ-GFCCVEGCSA-N 415.393 1.701 30 10 HDEE C[C@@H](CC(=O)NCCOc1ccc(C#N)cc1)NS(=O)(=O)c1cccnc1Cl 760661865 FKIOWMFVOMADNT-ZDUSSCGKSA-N 422.894 1.859 30 10 HDEE CC(=O)N(c1ccc(C(F)(F)F)cc1)c1nc(C=NNC2=NC(=O)C(=O)N2)cs1 765594385 RGYYZYGERZPCEY-UHFFFAOYSA-N 424.364 1.782 30 10 HDEE C[C@H](CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[S@@](C)=O 766729686 FFQXHPWRBIIUKH-IYJVBRSBSA-N 413.565 1.559 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](CO)c1cccc(Br)c1 766983712 OQNSIMMPCCYRSQ-JFVSRZABSA-N 423.267 1.308 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 771289093 XMNQPKYXUXCAQZ-KRWDZBQOSA-N 402.520 1.825 30 10 HDEE C#CCN(C(=O)Nc1cccc(C[S@](=O)CCOC)c1)[C@@H]1CCS(=O)(=O)C1 774047556 GZSLJLSVBHZLOU-WGDIFIGCSA-N 412.533 1.236 30 10 HDEE CCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 774239821 CVWAOOCYXYTOCA-SFHVURJKSA-N 409.490 1.513 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2cnc3n2CCC3)cc1 783528468 KGZZHYGDGPFPAZ-SILNSSARSA-N 423.520 1.443 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 784616733 ZEQSQXGOTPGYIC-IBGZPJMESA-N 416.455 1.109 30 10 HDEE C#CCn1ccc(CN(CC)[C@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 789328965 GOBOJUACUIVMPM-HZPDHXFCSA-N 417.535 1.252 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)[C@@H]1c1cncn1C 796087257 DPBSDEFAAGOFGK-VMRPVKRXSA-N 417.510 1.707 30 10 HDEE C[C@@]1(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC(=O)NC1 809124942 VGIFBMKGJMSJNE-CQSZACIVSA-N 418.244 1.181 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1C[C@H]1CCCO1 837806423 OZXLTLMBKVSEOI-LLVKDONJSA-N 422.329 1.939 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccco2)c1=O 838164070 UWJHJUUMZZYJSL-UHFFFAOYSA-N 410.451 1.544 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H](c2cnn(C)c2)C1 849571738 HYJAWUGSHIWPNU-BZZMCLGOSA-N 416.526 1.331 30 10 HDEE Cn1c(=O)ccn(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)c1=O 920807031 WDUWXFJJEZJWBE-JTQLQIEISA-N 402.382 1.825 30 10 HDEE COc1cc(C=Nc2ccc(S(=O)(=O)NC(=N)N)cc2)c([N+](=O)[O-])cc1OC 1084007641 ZIXNGMIKTHOKBR-UHFFFAOYSA-N 407.408 1.534 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nn(C)cc3C#N)cc2)C[C@H](C)O1 1126708201 AIEVPCDCOAOMCB-STQMWFEESA-N 403.464 1.342 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1c1ccnn1C 1128345326 OGWIPDNERKVYOG-MSOLQXFVSA-N 401.854 1.550 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O 1130824721 SZUDQTQCGCGBNL-UHFFFAOYSA-N 406.460 1.268 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1131941501 UIHBFXLKXPRTIU-QGZVFWFLSA-N 408.520 1.641 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)cc1 1142298174 BAGCGNXAWUXSEO-MOPGFXCFSA-N 407.474 1.869 30 10 HDEE CCn1nnc(C)c1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1143367390 GZDKCQMIVNQHDC-HNNXBMFYSA-N 418.523 1.376 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 1143720467 UBNCRWMSYHQOOQ-KRWDZBQOSA-N 402.476 1.752 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCN(C(N)=O)C3)C2)C1 1157169903 WHEYBVIBHXBNID-MGVZARIASA-N 405.499 1.290 30 10 HDEE O=C1NCCCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]1Cc1ccccc1 1170661746 QGYDGLOZFMZHFS-OAQYLSRUSA-N 401.466 1.719 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCOC[C@H]3Nc3ccnc(C)n3)cc2C1=O 1180544268 YPVPPECZDASMCF-ZWKOTPCHSA-N 421.457 1.566 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)nn1 1193475228 APCRHWQGDQXVRP-UHFFFAOYSA-N 424.426 1.626 30 10 HDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(-c2ccccc2)c1C 1196284294 AIDKWDWYNBWVCO-UHFFFAOYSA-N 410.396 1.780 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1213278609 FPSITCITBJEFSD-MRXNPFEDSA-N 414.549 1.568 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1230746650 OYDSEZMNTVZZLL-HRCADAONSA-N 415.556 1.922 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c(F)c1 1256148198 FUKPNTBTKJWGCM-HNNXBMFYSA-N 411.441 1.303 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1259629412 FYJIBKDCTMPRCY-UHFFFAOYSA-N 420.512 1.167 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1286303372 QOXDWCNBEGKTLE-ZWKOTPCHSA-N 402.543 1.359 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCCOC)c1 1286310293 SHBLILDLJZPPKG-QGZVFWFLSA-N 410.478 1.322 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1286317033 BKYUERNGLYRPCD-UHFFFAOYSA-N 406.490 1.915 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286393392 KRIARXDSMCEAEC-QZTJIDSGSA-N 420.510 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1286407415 UWPWVMISKCAAPA-UHFFFAOYSA-N 400.442 1.325 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1286446361 FVQHJNPGJVWFKV-VXPUYCOJSA-N 405.462 1.250 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2=CCCOC2)CC1 1286490186 NJCNBZLVJJKEPH-UHFFFAOYSA-N 406.490 1.653 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1286582547 ZBFXNWBWAUMVKT-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1C[C@H](OC)[C@H](OC)C1 1286783460 RRPQWSQVVFJYOC-IYBDPMFKSA-N 423.876 1.890 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1286785027 CJBXQVAOSMRQBN-HNNXBMFYSA-N 423.521 1.557 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286791415 SQYZSRHGJALEFS-OAHLLOKOSA-N 417.514 1.863 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286954441 CCQVXGPUDRHGAA-QGZVFWFLSA-N 411.466 1.191 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCc2cnn(C)n2)cs1 1290417688 ONTCSMDFQDWVOR-GOSISDBHSA-N 415.502 1.837 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 1290654242 RLUYSVWEQNOCAY-UHFFFAOYSA-N 416.503 1.856 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1291641820 URBULYSIVQCFLR-UHFFFAOYSA-N 400.435 1.440 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1292783158 OPLRKKYCRXOJHS-XJKSGUPXSA-N 401.471 1.211 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1ccc(-n2cncn2)cc1)C(=O)OC(C)(C)C 1298826526 ASYUQTWGFWCTFY-UHFFFAOYSA-N 412.450 1.192 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCN(C(N)=O)C3)C2)C1 1298837879 PGDBPLGLMLANAN-KHQOZGCUSA-N 419.526 1.680 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300382672 YWWULTKIIIDABO-QAETUUGQSA-N 404.467 1.920 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300425755 WXGQNKVWTTYVKT-LAUBAEHRSA-N 416.526 1.288 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncnn1-c1ccccc1 1300578622 DXSPVYXKHTWPDI-GOSISDBHSA-N 414.473 1.321 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1COCCO1 1300676818 SMGMKRZMFNEIEO-RCCFBDPRSA-N 406.527 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cnccc2OC)CC1 1300712450 SUGDCAWQNTVXPE-UHFFFAOYSA-N 410.522 1.993 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(NC(=O)COC)CC1 1300753801 AOWQWXLCGNXBFQ-UHFFFAOYSA-N 414.535 1.438 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300948944 JLDRUDYUFCNXSO-DZGCQCFKSA-N 400.487 1.380 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301258441 SJEZTQFLTCWHDG-QZTJIDSGSA-N 419.526 1.202 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1301308631 HTQGJRURLXVSOY-UHFFFAOYSA-N 404.496 1.242 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301478882 QTTSHYGPQMKXFV-KRWDZBQOSA-N 417.558 1.822 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1301499782 FZUUGPDOXNOKGE-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCSC3)C2)nnc1[C@@]1(OCC)CCOC1 1301519480 OXUGDJQREUUTEM-WOJBJXKFSA-N 421.567 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1301576541 DGXCKIBOOWRPCR-AWEZNQCLSA-N 423.926 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1301578359 YGNBIJUNWBGREM-HOTGVXAUSA-N 421.523 1.181 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1302450837 WNYYQHGSQYCUBD-HZPDHXFCSA-N 411.528 1.463 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1nncn1C 1303420009 WLBBKNIKKBQYMJ-SJORKVTESA-N 419.493 1.337 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1303792945 RKBPYFGBXSTHHV-WIYYLYMNSA-N 401.507 1.930 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2)c(F)c1 1304660175 JKJFPMGBJNFWDM-LEWJYISDSA-N 400.498 1.971 30 10 HDEE C[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1305170596 MLJLJJUQQMYHLB-STGLLQLASA-N 400.483 1.687 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1305680398 IMAQLXRTNIDCPW-DZKIICNBSA-N 402.394 1.560 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1305879940 BPZJRARSJHTCRX-FGZHOGPDSA-N 410.522 1.889 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@](OC)(C(=O)OC)C2)cc1 1310130846 HDEKJERFWVGZBR-GOSISDBHSA-N 411.480 1.289 30 10 HDEE CC(C)(CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1Cl 1311979143 BHCCYDWNXMENIS-UHFFFAOYSA-N 407.833 1.890 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2ccccc2Br)C1 1313291327 IHXZDKUSGGPRGL-WBVHZDCISA-N 408.340 1.997 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1315073885 AYZFLPVFJZOVDX-SFHVURJKSA-N 422.489 1.732 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1320303782 CKKWGWUYAYDYCP-UHFFFAOYSA-N 403.485 1.754 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1347338577 SLRZOJLJXVOEPV-RSJGLCBASA-N 401.507 1.241 30 10 HDEE Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1353488049 NOZABNRFJYOZJO-KRWDZBQOSA-N 415.446 1.452 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCCS2(=O)=O)c1 1354286019 NDXOATXFUFXNIX-BYFYWULKSA-N 413.521 1.405 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1358913781 YHSCQWSNWAFPGO-UHFFFAOYSA-N 414.554 1.584 30 10 HDEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1358936147 DYYRPIMNLPUCNR-OAQYLSRUSA-N 403.527 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358975741 CFFWSTIJZKSDNG-INIZCTEOSA-N 421.427 1.015 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC(C)C)nc2)CC1 1359034643 YUBAJRXHZDYPHK-UHFFFAOYSA-N 418.505 1.721 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCc1cnn(C)n1 1359063225 KWWOEYHUOIXGKH-OAQYLSRUSA-N 412.542 1.950 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1359065183 KCIASUWPXNIRID-NJYVYQBISA-N 401.511 1.401 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC(C)C 1359073208 GYIZTFIXSDDALW-HXUWFJFHSA-N 414.535 1.786 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359216083 OSMOURFZGLLPNX-QZTJIDSGSA-N 404.559 1.785 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1359282171 SPDUEFPEWGYMLI-CQSZACIVSA-N 411.553 1.632 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCCCC[C@H]21 1359291357 NFWKSGTUARRHTL-IAGOWNOFSA-N 400.527 1.975 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(O)(CC)CC)C1 1359322060 PCICFKBNFNVHDY-CVEARBPZSA-N 412.556 1.513 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1ccon1 1359334179 WAEACRZASRWWNC-UHFFFAOYSA-N 402.480 1.489 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(F)(F)CO2)C1 1360788073 KQJQTLBYKQFXIA-KBXCAEBGSA-N 408.453 1.955 30 10 HDEE C[C@@]1(C#N)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 1439704578 ALHUAFXUFCSASP-RDTXWAMCSA-N 422.463 1.137 30 10 HDEE COc1ccc(C(=O)N[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)c2ccccc2)cc1 1445690952 PIOMNABHDOFOGI-OAQYLSRUSA-N 420.469 1.751 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1453786518 POUPTFXGCXYZIX-IBGZPJMESA-N 407.492 1.559 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1454356786 FZPFQEDYBVEZKY-NSHDSACASA-N 403.298 1.515 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)c1 1456507881 AJLJMQGDZSRGPX-UHFFFAOYSA-N 415.446 1.699 30 10 HDEE CN1CC[C@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[C@H]21 1471214485 HYKURGLHHCULAS-AZUAARDMSA-N 416.547 1.512 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1471938327 JNPDHLNMOWBVRM-MRXNPFEDSA-N 403.910 1.781 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 1475744200 VQZQGGRZLFOCKN-GOSISDBHSA-N 401.529 1.752 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H](C)CN2CCOCC2)cc1 1475973451 IOLZGPXQQMIVHE-MRXNPFEDSA-N 410.540 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc(C#N)c(F)c2)CC1 1477548677 HZCHHHSBSAFKQK-UHFFFAOYSA-N 419.457 1.576 30 10 HDEE CCN1CCN(CCCn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502356035 HGEWEZKKXICJEB-OAQYLSRUSA-N 412.517 1.810 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1507534398 STWKEEUNZORJHO-ZIAGYGMSSA-N 419.507 1.431 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507540830 IRUOXDIOXHTGNZ-UKRRQHHQSA-N 422.580 1.373 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1507610064 DPLLSFKMJNYPNQ-MRXNPFEDSA-N 416.526 1.764 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OC)c2OC)CC1 1507723334 DKLIAIONLLYNLA-UHFFFAOYSA-N 419.489 1.556 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c[nH]nc2c1 1508041378 NNNJEAYAYHIOTC-QGZVFWFLSA-N 409.494 1.987 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2CCOC2)CC1 1508147371 JKCNLEYNMUBCLT-ZWKOTPCHSA-N 424.567 1.983 30 10 HDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1510550196 CLWQNBDWURXWPF-WRWLIDTKSA-N 401.467 1.976 30 10 HDEE CC[C@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1513158033 COPDVDHJTNJRLL-INIZCTEOSA-N 411.510 1.395 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1518444780 KXCOWRXMUYMLQX-DLBZAZTESA-N 413.478 1.878 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1519416379 YKCIDVZUWTZOGE-INIZCTEOSA-N 401.467 1.617 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@@H]1CC 1519863797 VOPXVOMHKLBFKD-QSAAJNHFSA-N 418.538 1.169 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)nn1 1532953706 DEKFJHXAUKBPIH-KRWDZBQOSA-N 410.478 1.962 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc4c(c3)NC(=O)C4)C2=O)cc1 1537508499 NXXDIDJTFAPVGR-INIZCTEOSA-N 403.398 1.897 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCc1ccc(S(C)(=O)=O)cc1 1539001693 HRSNFZQLASHUHO-OAHLLOKOSA-N 410.503 1.839 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC1 1539020404 BDJPLHSMSCOKSV-HNNXBMFYSA-N 400.552 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCOCC1 1539024908 BDZAYOKKSLKTIW-ZWKOTPCHSA-N 402.543 1.215 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCN1CCCO 1539162456 SJUVQGPNKRHKNP-QGZVFWFLSA-N 413.522 1.879 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539216727 WMPGUATVSBFKIU-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1539268005 ATZHJGWIHMGZPD-UHFFFAOYSA-N 418.545 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C)nn1C 1539315494 OTPVHZXCTACWSX-UHFFFAOYSA-N 405.462 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOCC(=C)C)CC1 1539484385 NFKXETGJCKXGMB-UHFFFAOYSA-N 422.533 1.822 30 10 HDEE C=C1CCN(c2nnc(CC(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539846712 UYUYKEWYHDJJEJ-UHFFFAOYSA-N 408.528 1.741 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1540036440 NCYMTPJNKCIBNW-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O)C1CC1 1540107432 AXPSHPHRMOQNQD-INIZCTEOSA-N 417.535 1.565 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OCC 1540843945 CQINTRUKFFSQAX-ZDUSSCGKSA-N 400.435 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540868168 USOBJAIOSSDIEN-GJZGRUSLSA-N 401.398 1.501 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1540881463 JTCPKULKNGFYDC-JKSUJKDBSA-N 416.526 1.210 30 10 HDEE CC(C)NC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1541703095 CVXCOMFKEZUYKO-ZMSDIMECSA-N 404.515 1.450 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1543136622 ARDDUCMIKHJTGU-HZPDHXFCSA-N 418.556 1.898 30 10 HDEE C#CC[C@@H](COC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1543467323 CTUQFIBOMIVIOQ-KBXCAEBGSA-N 422.279 1.371 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1547728479 BSEUIAJDYINJIO-AZUAARDMSA-N 415.586 1.938 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1554151000 FFNKASMIEXDWSK-JOCHJYFZSA-N 424.505 1.714 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1555247461 AEMZOWWUBCTYCO-UTKZUKDTSA-N 410.478 1.337 30 10 HDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1555683072 SQSYJKHHAJQYPZ-INIZCTEOSA-N 417.514 1.487 30 10 HDEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@@H]1CCN(O)C1=O 1556750861 YDCBZXHGNWMCAZ-ZIAGYGMSSA-N 407.471 1.483 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1557143782 DMJGDRKAIQKHNN-CABCVRRESA-N 422.503 1.644 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1558973734 FGPJRPOQWWDVJK-AOIWGVFYSA-N 403.479 1.644 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCc2c(CC#N)cccc2C1)[C@H]1CCS(=O)(=O)C1 1560042290 KMPONRYHVOVQDP-LPHOPBHVSA-N 403.548 1.925 30 10 HDEE CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564594086 ULDKOGAPCDXFDP-MEDUHNTESA-N 417.853 1.816 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(c3nc[nH]n3)CC2)cc1OC 1570871586 NHHLWJSSVOMDCP-UHFFFAOYSA-N 416.482 1.692 30 10 HDEE Cn1nc2c(c1C(=O)Nc1cccc(OC(F)(F)F)c1C#N)CS(=O)(=O)CC2 1583615916 QQQVZMJJOXUOAY-UHFFFAOYSA-N 414.365 1.914 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@]2(C#N)CCCOC2)C1 1583798198 JMXNOCZBXPVDEM-QRWLVFNGSA-N 408.499 1.186 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c[nH]c2cc(OC)cc(OC)c2c1=O 1583820522 FMIWXHXZTKUNQA-UHFFFAOYSA-N 400.431 1.962 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)nc1 1585233175 RZXBDAHGDGUKNR-UHFFFAOYSA-N 410.455 1.504 30 10 HDEE CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 1585296546 LFVJVVBTZHFXSR-ISLYRVAYSA-N 418.494 1.809 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1587852250 UBBIMBOOXNGLMJ-SQNIBIBYSA-N 400.527 1.190 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1588266609 SPKQNFYDPKYYKR-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1589053275 LQQVPOVYNXFVKP-OAHLLOKOSA-N 405.549 1.638 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594813695 WPQNLDZFKDQEEU-SFHVURJKSA-N 418.542 1.713 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCN(C)C1 1595251065 NTTJBYGIQMDBEH-OAQYLSRUSA-N 409.494 1.630 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1612477179 HMQALYAWJYSFDE-VHEBQXMUSA-N 410.482 1.265 30 10 HDEE CCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1615531994 HOCGNPIFGLJWRK-DXQAYGFFSA-N 400.483 1.545 30 10 HDEE CN1CCC(N(C)CCN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1615895495 SOUZGHWPJHUMSP-UHFFFAOYSA-N 410.515 1.221 30 10 HDEE C=CCN1CC[C@@H](N(C)C[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1=O 1617562273 PSJOKSHNDDUDMX-DENIHFKCSA-N 401.507 1.869 30 10 HDEE COC(=O)[C@]1(N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1620435333 UZXPMNGQBULXLH-XOBRGWDASA-N 420.897 1.488 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1621714876 GVUSLYNDFGNQCE-HZPDHXFCSA-N 408.499 1.233 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 1622551043 BAZDNAGDUNTMSZ-LBPRGKRZSA-N 415.309 1.612 30 10 HDEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1622705658 GVRQEPVIGSCXEG-GOSISDBHSA-N 407.492 1.257 30 10 HDEE CCn1c(S)nnc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1628297487 IEAIQFNARFGRSS-MLZJXEJWSA-N 420.539 1.990 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1630323252 XELQAJIVWZDLIV-ROUUACIJSA-N 412.534 1.833 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1631611453 VZBCGJKTFOOGKQ-MRXNPFEDSA-N 404.467 1.343 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)c1 1631704035 BIUWALFSBPGSOZ-PMACEKPBSA-N 406.490 1.069 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)CC1 1631960574 FZGVUHSARCLXLC-INIZCTEOSA-N 403.552 1.952 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(-c4nc(=O)o[nH]4)c3)C2=O)cc1 1633897602 CAEJFBXFYLRSNK-KRWDZBQOSA-N 403.398 1.827 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)NCC#N 1636290128 YSEJQNUGHIXMGR-LJQANCHMSA-N 424.482 1.882 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cs1 1636301022 VCFYEVIQFSVBSC-UHFFFAOYSA-N 411.534 1.601 30 10 HDEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1NC(=O)NC(C)(C)C 1636512663 OAUNZHAYFGTFCS-MGPUTAFESA-N 418.519 1.925 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccnc(N3CCSCC3)c2)CC1 1637367074 HHZZAWNYZYBMNP-UHFFFAOYSA-N 423.546 1.933 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 1639270326 UQWMMSIJFCOLBW-KRWDZBQOSA-N 413.503 1.156 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1639962936 RQXCNZPTERRVGD-HXUWFJFHSA-N 418.453 1.122 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1640276604 IRNHPMUMHYGHMY-QBPKDAKJSA-N 410.536 1.671 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2ccc(F)c(C#N)c2N)C1=O 1641853767 FFMHGPFIZQPGCH-LBPRGKRZSA-N 419.457 1.981 30 10 HDEE C=CC[C@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1642117533 GMJVYQHWHXXITI-SFHVURJKSA-N 419.547 1.724 30 10 HDEE N#Cc1cccc(ONC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)c1 1642625371 NNANMQMSDHDHMF-UHFFFAOYSA-N 407.473 1.428 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC 1642684191 YJXZVLYRYFSKPP-SWLSCSKDSA-N 413.883 1.416 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)OCC 1642684220 YPNJJAVWXDMSSH-ZENOOKHLSA-N 409.788 1.988 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)s1 1643526547 CSVBIKHCOUEDGN-QWJLCTJOSA-N 402.563 1.267 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)c3nc(OC)ccc32)c1 1644953714 RWMXQVXCDXHSMF-UHFFFAOYSA-N 402.476 1.651 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)CC1 1645714303 YCQCWMLTFMEQCE-UHFFFAOYSA-N 405.458 1.935 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)CC1 1646427633 RUVNAVMUAXFVSM-HXUWFJFHSA-N 414.525 1.321 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(c3cnn(C)c3)CCCO2)c1 1657274956 QRXDABNMBQWFQB-IBGZPJMESA-N 404.492 1.320 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(Cc3nc(O)c4ccccc4n3)CC2)CCOCC1 1657599049 BFRPYGSKIVEQCB-KRWDZBQOSA-N 411.506 1.524 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 1657650041 SMMJTOVHSSGVQN-MRXNPFEDSA-N 404.492 1.803 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C(=O)OC 1669658314 XEQKWRZUBBQESK-NSHDSACASA-N 404.238 1.079 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673468736 JRNLASZAKLGZMH-ZDUSSCGKSA-N 409.284 1.233 30 10 HDEE CON(C)C(=O)CNC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682122710 RSEJNVNHBUKSMA-BQBZGAKWSA-N 413.265 1.819 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1685655554 YMTNWLWSGSHJCN-QZTJIDSGSA-N 422.489 1.924 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3cc(C(F)(F)F)ccn3)C[C@H]1CS(=O)(=O)C2 1686629484 LMLXZFGRSNXXCP-SWLSCSKDSA-N 402.398 1.223 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC 1689847798 IJQIATGBUNQREB-AWEZNQCLSA-N 407.478 1.176 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1689982701 SFNFSSNVISUAAJ-GOSISDBHSA-N 402.520 1.773 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1689988595 SFFVCENESWOPRD-SJLPKXTDSA-N 405.568 1.514 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2)CC1 1690130393 FQFRMYROHMATGA-KRWDZBQOSA-N 402.568 1.441 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1690156324 VBHWIMPVEKTOES-UONOGXRCSA-N 415.585 1.258 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCOCC2(CC2)C1 1690231505 DPBVRRHSAXQULK-UHFFFAOYSA-N 410.316 1.926 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1690481688 MMGRWDFYYOGVEJ-SFHVURJKSA-N 402.543 1.744 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1690484903 GZADBHUDPPNEGS-DLBZAZTESA-N 423.583 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)C1CCCCC1 1690661302 ZAFHRZQRPDDERR-CQSZACIVSA-N 412.560 1.350 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1692470307 ZSJSNUABGAHQIK-RTBURBONSA-N 407.522 1.872 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1705564370 AZALBOBAVGSHHF-HNNXBMFYSA-N 420.564 1.503 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705571944 MAHXKLQEYJNVCL-LJQANCHMSA-N 416.547 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CN(C)C1=O 1705587469 WOUZUYWYBGHPOD-JOCHJYFZSA-N 407.474 1.417 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc(C)s1 1705590610 QVEPEIDZRADJJE-HXUWFJFHSA-N 414.535 1.990 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705632582 VFRRKQZLULWJDF-IBGZPJMESA-N 402.587 1.688 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)CCS(C)(=O)=O 1705703329 MHUIXYIFGXRILB-WBVHZDCISA-N 422.555 1.531 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)CC1 1705895609 MJLHQJUDHURPAS-UHFFFAOYSA-N 419.489 1.430 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1708262528 FDVLNPHZIPABAM-IAGOWNOFSA-N 423.521 1.204 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1711338921 OBULWIMRZPGCIP-OALUTQOASA-N 424.505 1.585 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1712885406 KFCUVPUTFNYNAQ-GOSISDBHSA-N 418.567 1.572 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1722416861 QOKOIPIPIXWCPI-HNNXBMFYSA-N 414.535 1.644 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2nc(C)cs2)CC1 1722436838 LWZLFOYKGJQWCK-GOEBONIOSA-N 413.551 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCCC)CC1 1722443414 SPGYKRQGUGSGDO-UHFFFAOYSA-N 412.494 1.339 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)NC)CC1 1722454596 NBIGWPASJBPYHS-UHFFFAOYSA-N 419.942 1.821 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722457435 DUKBHXBYCNTTAL-BEFAXECRSA-N 400.508 1.486 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722543259 NMWFSMIHGXFUET-SJORKVTESA-N 413.950 1.913 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CC1CCS(=O)(=O)CC1 1722678128 SYAJLHUREWYXRJ-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722694652 CUSJTWNKGMCMFV-HZPDHXFCSA-N 408.418 1.233 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1722744760 WSRDRYRRBIOLMD-ROUUACIJSA-N 423.583 1.980 30 10 HDEE CCNC(=O)c1ccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1728658429 HNOOZXOKRRAODX-UHFFFAOYSA-N 417.473 1.920 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCCNS(C)(=O)=O 1729409601 OUMSYFHNKVQKPE-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)cn1 1730759079 HBHVHYUXUBULHL-UHFFFAOYSA-N 401.446 1.463 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1730876677 PAOJFCQPJGIBOU-MGPQQGTHSA-N 401.414 1.155 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1740530887 ABYVXOAKDZGQMI-WQIZZMQYSA-N 401.536 1.801 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740556712 FPKMRAWUNBGDHC-UZLBHIALSA-N 418.519 1.173 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(S(C)(=O)=O)cc1 1740598091 DMMVAKBBSXDWPT-UHFFFAOYSA-N 417.535 1.718 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1740616979 JWTVXVAUWMLFNY-SFHVURJKSA-N 410.503 1.447 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1740637409 ARJBOEAKZKLICG-QGZVFWFLSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1740675417 BHXLGVVQJJDBDQ-BBWFWOEESA-N 419.526 1.924 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1740691000 RTXBOAKVXGBVRV-XSLAGTTESA-N 420.583 1.080 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COC)C1 1740751218 ZMIFMJKPQZPFTH-BBWFWOEESA-N 407.515 1.249 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1740786791 OQVOINCJJFDDCR-JYJNAYRXSA-N 404.471 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](COc2ccccc2)C1 1740957098 AZFIPHJEJVLZLL-KRWDZBQOSA-N 419.489 1.943 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ccccc2)CC1 1740961794 JOGNCZDUCZFYMS-UHFFFAOYSA-N 417.517 1.893 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740996469 NIMRHLHRFLBESH-QLFBSQMISA-N 417.601 1.669 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1741002502 JEKNRFHNOJBEPN-CABCVRRESA-N 414.597 1.961 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1741652829 DLFMDYZLWBMAKQ-IERDGZPVSA-N 416.526 1.884 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1743153716 QKXNYKLCQOSEMU-PLGXQAJASA-N 422.493 1.744 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCN(CC)CC1 1748776595 KOHCLDVEXSVYPA-UHFFFAOYSA-N 411.510 1.950 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1748906086 OYCOJMAYKDLDSK-INIZCTEOSA-N 404.540 1.684 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748908213 VXZAXPLCRYFPIR-YADHBBJMSA-N 415.538 1.789 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(OCC(N)=O)CC1 1749037440 DVQILPNTJNKQGA-INIZCTEOSA-N 407.540 1.357 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC(=O)NCC(F)(F)F 1749053316 GCJMLDPXBDRINO-CXAGYDPISA-N 417.432 1.673 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1749225910 LPTIWSUEIHOXBW-INIZCTEOSA-N 402.543 1.537 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749280041 ALMNEFWHWCXGTH-INIZCTEOSA-N 405.886 1.869 30 10 HDEE C=CCN(c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1)C1CC1 1749510429 GXALMHFDAGJLNY-UHFFFAOYSA-N 418.303 1.773 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(=O)NCC)CCC2)C1 1749694284 QNHCZWIQZHDXHZ-MRXNPFEDSA-N 418.542 1.504 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1749743861 BAQVSSYHMUWQEG-WMLDXEAASA-N 417.601 1.813 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1760098529 TXTOCADMKCBFHS-CVEARBPZSA-N 410.588 1.611 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC 1760217771 LZMSJCBSAIROMM-IBGZPJMESA-N 421.501 1.952 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCCN2CCN(CC)CC2)CC1 1760253811 JUTGYSDRYKXJMN-OAQYLSRUSA-N 415.630 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1760256440 GYRIGFIMIQJXLZ-SIKLNZKXSA-N 415.538 1.419 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760331305 HKWFGGUQFDHKAA-FQEVSTJZSA-N 415.519 1.769 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1760400771 NDOLWNOJWPLCJA-CVEARBPZSA-N 407.540 1.456 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760441860 WXWKODUNZHYPSU-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1)C1CC1 1760470916 HDTNPZIEVUKQAQ-DYESRHJHSA-N 405.543 1.806 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1760493311 ASYWVTFEGDIJMC-QGZVFWFLSA-N 415.519 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1 1760516128 VNTWIVLALLCKTB-UHFFFAOYSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Oc2ccccc2)C1 1760521083 JEFWHHVSBHPSIV-ROUUACIJSA-N 424.505 1.579 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1760522761 DEBRSWNPXUQKGB-OAQYLSRUSA-N 407.478 1.430 30 10 HDEE CC(C)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760967965 OTSDTSUUDXLSGN-PBHICJAKSA-N 419.507 1.554 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1764073616 DHXRCKMGMYQGRT-CQSZACIVSA-N 424.571 1.760 30 10 HDEE CCOC1CC(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1766111552 AEOLFMOVWQKCAN-XGHPGWEVSA-N 423.539 1.114 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1766265402 FQWGLFOPWKLYAJ-CQSZACIVSA-N 402.430 1.251 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC=CCO1 1767943006 VPBWBWJBMFYRIK-SFHVURJKSA-N 409.494 1.753 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1768458145 HFYBLIVVGXUOPM-KXBFYZLASA-N 400.414 1.321 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C1 1849739194 JAOOPCYDWMUGFT-UHFFFAOYSA-N 402.414 1.252 30 10 HDEE N#Cc1ccc(N2CCC(COC(=O)CCCN3CCS(=O)(=O)CC3)CC2)cc1 1852212778 MFGSFOLPKQDHEO-UHFFFAOYSA-N 419.547 1.828 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(S(=O)(=O)C(C)C)CC2)n1 1853227544 JJKOHSBXFXLLMX-UHFFFAOYSA-N 404.414 1.777 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccsc4)CC3)C2=O)ccn1 1853607756 KUHMTPJNQUTKFF-LJQANCHMSA-N 409.515 1.964 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C4CC(F)(F)C4)C3=O)CC2)CC1 1853751916 PXAWEFIPOQYASA-KRWDZBQOSA-N 422.476 1.633 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1=O 1853785075 VIVOLXQSQHTVRR-AWEZNQCLSA-N 410.492 1.666 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1=O 1854174885 IFNYUXSBRRCVDR-OALUTQOASA-N 407.474 1.332 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC)c(OC)c2)C1=O 1854211970 YQUFTAZRLPXSOX-HZPDHXFCSA-N 401.463 1.164 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)C(C)(C)C2=O)cc1C#N 1854391567 FDRFNVJNCNDBOG-UHFFFAOYSA-N 412.471 1.714 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)COc3ccc(OC)nc3OC)C2)CC1 1855015332 HMXOUHUBOWYXRM-MRXNPFEDSA-N 403.479 1.751 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1855036651 NPUDNFBDSPCXHL-XMSQKQJNSA-N 414.481 1.511 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855162316 FARVHFCAHYLILJ-MJGOQNOKSA-N 423.579 1.750 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(F)cc3F)CO2)cc1 1855187575 BNYQGZDUUQWHKI-HNNXBMFYSA-N 408.382 1.927 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856249168 JNQBAWXTHSOKMA-UXHICEINSA-N 408.502 1.880 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4ncccn4)C3)C2=O)ccn1 1856418372 QNLQRDNWQHGOFD-MAUKXSAKSA-N 406.446 1.275 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(C[C@@H]4CCCOC4)C3)CC2=O)cc1 1856849003 ULUTZHJWHCFHBG-SFTDATJTSA-N 410.518 1.272 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)c1 1857211966 DVKXUYLOEWOSHV-QGZVFWFLSA-N 400.479 1.721 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc3ccccc3n2C)C1)[C@@H]1CCN(C)C1=O 1857263283 FGUHXWIULQEXMM-VQIMIIECSA-N 408.502 1.886 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)C2=O)CC1 1857266278 CVJGRADXPVQSJE-CYBMUJFWSA-N 406.368 1.725 30 10 HDEE Cc1cc(=O)n(CC(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)cn1 1857459047 NEMRROPRFRAHAV-UHFFFAOYSA-N 411.437 1.212 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C[C@@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)s1 1857502249 WAIBFDGERCSONW-GJZGRUSLSA-N 413.503 1.868 30 10 HDEE COCCN(CCOC)[C@@H](CCOc1ccccc1)C(=O)N1CCC(C=O)CC1 1860616962 VCRQAUFHCFGDIR-NRFANRHFSA-N 406.523 1.856 30 10 HDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc(C)c1 1865728575 HRYALJFJHFGWNS-MRXNPFEDSA-N 422.485 1.288 30 10 HDEE C#CCOc1cn(CCCCCO)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562068 PJUMNMNFOHTZIV-UHFFFAOYSA-N 411.506 1.135 30 10 HDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1cccc(C(=O)OCCCC)c1 1872709332 SZEHLOCONOFDSO-UHFFFAOYSA-N 402.407 1.960 30 10 HDEE Cc1ccc2[nH]c(C(=O)O)c(/C=N/n3c(S)nnc(CCC(=O)O)c3=O)c2c1 1873498052 KCFKUVCSNFQHEB-CNHKJKLMSA-N 401.404 1.314 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(N3CCN(C)CC3)ncnc21 1873561806 ZFDZVFIPGFINIV-UHFFFAOYSA-N 416.526 1.104 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1cccc(OC)c1O 1874499482 RUBCMXACVBWWND-VXLYETTFSA-N 407.496 1.981 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985177858 DEQGXVQWRFRNTI-OALUTQOASA-N 416.522 1.889 30 10 HDEE N#Cc1ncc(Br)cc1N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2118091682 GLBVYDQYOKWKHR-IONNQARKSA-N 420.189 1.074 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2118171010 SVLQHTRXXMPYAX-ZWKOTPCHSA-N 418.519 1.858 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162918920 VEBDCGNKUJJKQX-SRGMZFCMSA-N 414.509 1.594 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC1(C)C 2174779016 DRQNKOHZAIECAE-HUUCEWRRSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](CO)CC1 2174789109 MOUBSINNRXPCGB-JSGCOSHPSA-N 415.537 1.906 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 2181110168 LPUJFYPDCOYTAL-ZIAGYGMSSA-N 402.517 1.243 30 10 HDEE CCN[C@@H](C#CP(C)(C)=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2225391925 GEJKLVIYXSCGMJ-LSDHHAIUSA-N 406.485 1.972 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2247811053 DQUWSDHSTYEGPB-HNNXBMFYSA-N 420.315 1.906 30 10 HDEE Cn1nc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823593 QBSZDPVLFARZCI-CHWSQXEVSA-N 420.319 1.362 30 10 HDEE COCCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247928602 DUGIVASQRRTSBE-UHFFFAOYSA-N 414.315 1.793 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2267722637 YKIZDLBNEYPDAE-XMMPIXPASA-N 405.372 1.237 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]4NCC[C@@H]43)cc2Cl)OC1(C)C 2282314077 UJEWVDMFBFAXSG-ZMLRMANQSA-N 418.777 1.729 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCC[C@H]1N 2282325294 CFYMSCFAEUCHGN-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE C[C@H]1CNC(C)(C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335653 SHCFUJDXVYQEFB-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CNC[C@@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342072 BTTYKUIVLYNZSQ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CCN(C[C@H](C)OC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282492299 OJUFGTVFWDOANS-LBPRGKRZSA-N 404.363 1.629 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282542525 FMNYEHPFJULOSJ-RSNKEIGGSA-N 403.741 1.212 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282846657 MOTDZKHKETURMD-VXGBXAGGSA-N 419.399 1.764 30 10 HDEE Cc1nc(S(=O)(=O)NCC2(Cl)CCC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282847412 YPLJNXLGKRYKDX-UHFFFAOYSA-N 403.741 1.468 30 10 HDEE C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282870797 XSPZTEYLXDOEGB-NWDGAFQWSA-N 403.737 1.934 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CC(CCN)C2)OC1(C)C 2282870819 XYNFQZKGYYLFHI-UHFFFAOYSA-N 400.375 1.594 30 10 HDEE C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284409307 HLNWBRCQTBVPCN-JTQLQIEISA-N 401.315 1.674 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NS(=O)(=O)C(C)C 2284415501 XXTGSVIDROWUHI-UHFFFAOYSA-N 403.331 1.311 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccnc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296154716 XTIFYROYULNBNF-KRWDZBQOSA-N 413.386 1.420 30 10 HDEE CC(=O)NCCNC=C1C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 2297378295 PGSZLJGAODUENK-UHFFFAOYSA-N 405.501 1.848 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2315602375 PZLQXNWGORHGLD-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)N(CC#N)CCC(F)(F)F 2335425893 KMXJAJUBQGFHFJ-SNVBAGLBSA-N 401.407 1.229 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2365203365 SHOQZBSRHITXHH-SPYBWZPUSA-N 402.557 1.409 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365212372 PYLYCRHBWDPMPE-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE COCCn1cc(C#C[C@@H](NN)c2csc(I)c2)cn1 2366014833 MHKAGVKKKQMNSS-GFCCVEGCSA-N 402.261 1.752 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 2367797792 WYFVKMBSEJHDJS-JKSUJKDBSA-N 401.573 1.390 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367803313 JXHWEPIWCGXSJY-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367819135 XJLAUDJWSXNCGM-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367831185 OWYSMMKFXXHITD-IIDMSEBBSA-N 400.541 1.435 30 10 HDEE CC(C)CN(C(=O)COC(=O)COc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 5990567 NMCKAFUZSPILAY-MRXNPFEDSA-N 408.476 1.152 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 45735864 VFOJEAQWSRQGDU-UHFFFAOYSA-N 414.510 1.902 30 10 HDEE CCCNC(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccc(F)cc2)c2ccccc21 59159249 WKBMTNBUWVCKAS-PYCFMQQDSA-N 418.450 1.381 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N3CCC[C@H](C)C3)n[nH]2)cn1 59887493 UARIFUJKUBBFQB-VFJJTOLMSA-N 406.516 1.444 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)cc21 238863255 LECNYERTYTZISG-ZDUSSCGKSA-N 400.416 1.240 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 238959906 YIOJAJQTQKWZLV-CQSZACIVSA-N 417.447 1.759 30 10 HDEE O=[N+]([O-])c1cccc(-c2ccc(C=NNC(=S)N[C@@H]3CCS(=O)(=O)C3)o2)c1 254795518 PIJAXKCAYLAJHJ-GFCCVEGCSA-N 408.461 1.840 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 409478439 RPOWIMDIXDTYMC-DLBZAZTESA-N 402.467 1.406 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 410076486 ZBUVHLFTOOALPH-KBXCAEBGSA-N 412.508 1.204 30 10 HDEE CN1C(=O)C[C@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 428416193 DSGBFKLUTZOGLU-GUYCJALGSA-N 408.842 1.996 30 10 HDEE CCn1cncc1S(=O)(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 433649358 MSPWRPIGDKUSAV-UHFFFAOYSA-N 402.436 1.534 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 438237708 KWNSLVXAWAHEEZ-UHFFFAOYSA-N 402.462 2.142 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 439246228 LCSMJNVQROHYGO-OALUTQOASA-N 409.490 1.043 30 10 HDEE C[C@H]1[C@@H](C)O[C@H](C)CN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 446059503 FNFOKZYPJAHIKF-OWCLPIDISA-N 413.478 1.953 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2cc(C#N)ccc2OC)CC1 446843536 OFMSNJBWFKZRQM-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE CS(=O)(=O)N(CC(=O)NCc1cnn(-c2ccccc2)c1)c1ccc(C#N)cc1 447698876 NAFPNSYNYZCZRR-UHFFFAOYSA-N 409.471 1.826 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461304781 ZQBFTPZAYLTFDL-RBZFPXEDSA-N 407.434 1.578 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 465963098 UNSXUCWKXQJOFJ-AWEZNQCLSA-N 402.480 1.069 30 10 HDEE C=CCNc1ncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)s1 474047903 YESPYBSZBMCJGI-UHFFFAOYSA-N 424.504 1.720 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 477053623 BXOFVONISADOEQ-UHFFFAOYSA-N 404.423 1.004 30 10 HDEE N#Cc1c(CCCNC(=O)CNC(=O)c2cccnc2)nn(-c2ccc(F)cc2)c1N 480324587 INRWUNSHALPRGK-UHFFFAOYSA-N 421.436 1.339 30 10 HDEE CC(C)c1noc(CCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 481227125 DYBDJUIEBJDKDH-ZDUSSCGKSA-N 405.480 1.480 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccccc1C(=O)c1ccccc1)C(=O)OC 481563612 OHCQLSRFWXTPAF-QGZVFWFLSA-N 403.456 1.940 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482738948 XPTOCHGKWPPDOS-UHFFFAOYSA-N 418.544 1.944 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1ccc(Cl)cc1 483205619 ZIYZVMNPFRXRBL-SJCJKPOMSA-N 407.879 1.728 30 10 HDEE COCCN(Cc1ccnn1C)S(=O)(=O)c1cc(Br)cc(C#N)c1 486945667 YPZXUJGXJJPPJU-UHFFFAOYSA-N 413.297 1.892 30 10 HDEE COc1c(F)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 491323637 PJFBWMIBOGDFTN-UHFFFAOYSA-N 421.410 1.520 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCO[C@@H]2c2cnn(Cc3ccccc3)c2)CC1 503645490 UXGKUDWYOIRJQG-PZJWPPBQSA-N 407.474 1.593 30 10 HDEE N#Cc1ccccc1N1CCN(CC(=O)N2CCN(C(=O)c3cccs3)CC2)CC1 507278437 LRIIIKCXHMLLKD-UHFFFAOYSA-N 423.542 1.726 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](O)(C(F)(F)F)C1 508800055 DFLQRQZYMBTJLO-MRXNPFEDSA-N 406.372 1.610 30 10 HDEE Cc1c(C#N)cccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 513435483 VIHQJXKCIQPWSO-UHFFFAOYSA-N 401.444 1.846 30 10 HDEE CC[C@H]1C[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 513724320 JVTABNIXHQXKRO-AEFFLSMTSA-N 405.520 1.986 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cscn3)c2=O)cn1 524275513 HNOODGBCZDYFDI-UHFFFAOYSA-N 424.507 1.631 30 10 HDEE N#Cc1ccc(NC2=C(Cl)C(=O)N(c3ccc(S(N)(=O)=O)cc3)C2=O)cc1 526675104 TXZVCEVKRHXATC-UHFFFAOYSA-N 402.819 1.641 30 10 HDEE CCOc1ccc(NC(=O)CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544891073 FPMCOUGFXJUVDE-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE Cc1cc(CS(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)no1 551516863 UCCTYAQHTWNYDX-UHFFFAOYSA-N 418.454 1.814 30 10 HDEE N#Cc1ccc(NC[C@@H]2CCCCN2c2ccc(=O)n([C@@H]3CCCC[C@@H]3O)n2)nc1 585613039 WQRHPROEZBVXLQ-OTWHNJEPSA-N 408.506 2.457 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)C(C)(C)C(=O)OCC)nc1C 586300629 BYHOPFMZKFEWOB-AREMUKBSSA-N 402.494 1.823 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)NC3CCCCC3)cc21 586362241 XOFNYOUJUPANBK-GDLZYMKVSA-N 418.515 1.978 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(Cc3nc(C#N)cs3)CC2)cc1 589498459 XDJKWEAPVAFZMU-UHFFFAOYSA-N 405.549 1.419 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 609277644 VQAZXGZRVKURHA-UHFFFAOYSA-N 413.425 1.817 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)c(F)c1 727416417 OVBFACGJALCNHC-UHFFFAOYSA-N 409.442 1.745 30 10 HDEE Cc1nc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nn1-c1ccccc1C(C)C 731861481 CLZLYRYWOFZFMF-ZZEZOPTASA-N 408.462 1.955 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 732153375 HGBQODMBAYJPGK-MRCUWXFGSA-N 409.446 1.356 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCN1C1CC1 732676827 NTMCMCXPIFACDT-OAHLLOKOSA-N 411.915 1.000 30 10 HDEE COCCN(C)CCOc1cccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732677183 LFVNOZXLMKAIDD-FQEVSTJZSA-N 415.538 1.525 30 10 HDEE CCOCCOc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706756 NZACFVMGTGJOSL-MRXNPFEDSA-N 420.897 1.893 30 10 HDEE Cn1ccnc1CN1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 733310242 PPKXJKBGMVMRAZ-INIZCTEOSA-N 405.462 1.063 30 10 HDEE COC(=O)[C@@H](NCCNS(=O)(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1 739990411 MHCVJTAPYFZFBK-KRWDZBQOSA-N 407.879 1.994 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1OCC[C@@H]2O 768474599 WMYZSUHNTBEIJU-INIZCTEOSA-N 415.471 1.960 30 10 HDEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 769847584 ANDRJMBQYFDTKP-XFHJGTJQSA-N 410.448 1.193 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 771632257 FKLGRHRZYCBFPN-IBGZPJMESA-N 422.489 1.704 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 772361078 SOXYANYCRKVLFJ-VGWMRTNUSA-N 401.467 1.558 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC23OCCO3)c1 773820959 FHTHZMUWOVLMBT-WFOVFMPGSA-N 407.492 1.981 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 774162150 CSSPRHWOHAMUBH-ZDUSSCGKSA-N 403.273 1.920 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 774856018 CUCCSVAZPYPCLX-OVZRNVPMSA-N 421.498 1.600 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 778329140 FHWFREQAXXFINU-DLBZAZTESA-N 408.543 1.468 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cccnc3-n3ccnc3)CC2)c1C#N 788089220 UEEGUEHNOVOJRR-UHFFFAOYSA-N 405.466 1.213 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@@](C)(c3ccc(C)cc3)C2=O)n1 788369855 MZWJAMWVYYKFQW-QHCPKHFHSA-N 408.502 1.947 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 790970999 CNDCBLYICCNYDY-UHFFFAOYSA-N 418.498 1.555 30 10 HDEE COCC1(CNC(=O)[C@H](C)n2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)CC1 791424590 HPJPZHGRMDEFRL-AWEZNQCLSA-N 406.487 1.491 30 10 HDEE CCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 801669015 UGYZJKWJUFQFSE-SSPLZPMDSA-N 407.496 1.242 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)cn1 802065329 WAIZCDYPKCDYGA-UHFFFAOYSA-N 402.432 1.563 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@H]2CCOC2)CC1 802757857 FQNCNVHJVHHGSY-QGZVFWFLSA-N 411.506 1.754 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 803698417 POWYPWIRRSXJHE-GOSISDBHSA-N 403.431 1.675 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cn2c(S)nnc2-c2ccc(Cl)cc2)CC1 816289643 PLSIIKLDKFDEPL-UHFFFAOYSA-N 404.883 1.472 30 10 HDEE CCn1c(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc2cccnc21 817179603 AGYDRBBSGIGWFA-GFCCVEGCSA-N 412.475 1.907 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccccc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084282660 UFEMGAWVJQTXFN-UHFFFAOYSA-N 421.442 1.865 30 10 HDEE C=CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1125883411 FFZPWMMCMQQMNM-JYJNAYRXSA-N 401.525 1.715 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C1CC1 1130309999 DXMXPPXFERYWLJ-RCCFBDPRSA-N 424.457 1.421 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CCCc3c2cnn3Cc2ccccc2)c(=O)nc1O 1135903729 HIXHSOHOBIKOFR-QGZVFWFLSA-N 404.430 1.259 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2sc(-c3c(C)noc3C)nc2C)CC1 1136632994 WEJIQXRFYXLOGG-UHFFFAOYSA-N 415.519 1.621 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1144921831 DBXKNDRTCAWIAI-DNVCBOLYSA-N 424.519 1.041 30 10 HDEE CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1147044912 MFPXJMWSOVPGIR-DJIMGWMZSA-N 409.508 1.093 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3(c4nn[nH]n4)CCC3)C2)C1 1153874738 LNCRGNSPCFYLJD-XYEKJYRLSA-N 401.471 1.482 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1159277046 FZPCTKWZGGFXCC-XOBRGWDASA-N 417.466 1.116 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190993051 JEGAUAWUDCTXDG-KRWDZBQOSA-N 415.899 1.862 30 10 HDEE C=CCN(C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 1206852163 YUXNJUQEBILALQ-KXBFYZLASA-N 420.491 1.290 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1)c1ccc(Br)cc1 1252458913 NKOVPYJWODQRNH-ZLDLUXBVSA-N 414.325 1.689 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1253778931 GTHKOPJIVGVPAY-IBGZPJMESA-N 421.563 1.974 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1286465421 MYGXVAZTSFXYAI-DXIQSLLYSA-N 418.538 1.986 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1286552965 OMLUBIPFBFHTKK-SUJAAXHWSA-N 415.535 1.664 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286781012 MCCHBRUWLOZMMP-AWEZNQCLSA-N 420.539 1.549 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1286795975 FXFMGAPUUHPRHG-SFHVURJKSA-N 422.489 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1286819096 ZXBUAWONKJMQQM-HOTGVXAUSA-N 417.539 1.009 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1286875153 AZUGESHRECWJPK-UHFFFAOYSA-N 409.494 1.354 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286954687 NGYACBMPZKGHBC-BEFAXECRSA-N 412.494 1.462 30 10 HDEE C=C(C)C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1287776902 GMWBXPQFWCUYJA-SFHVURJKSA-N 424.519 1.264 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1288996000 MNGBAYLWGCXMLX-KBPBESRZSA-N 415.885 1.637 30 10 HDEE C=CCc1cc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc(OC)c1OC 1293003539 DBMKRWPTABVDAL-UHFFFAOYSA-N 416.522 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCC3CCN(CC#N)CC3)=NO2)C1 1293420814 SQHHQNBCIIUEKX-FQEVSTJZSA-N 405.499 1.494 30 10 HDEE O=C(NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)c1cccc(C#CCO)c1 1295197882 IBNDQPHHIMZPID-VXKWHMMOSA-N 403.482 1.359 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1cc(S(=O)(=O)NC2CC2)ccc1O 1295523973 JHYQLVDLRVUDTQ-UHFFFAOYSA-N 400.412 1.552 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOc3ccc(OC)cc32)cc1 1296141975 OFOHPIIRFYWPHU-GOSISDBHSA-N 400.456 1.860 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(N)c1 1296299990 VJFARROSRQWPMA-SFHVURJKSA-N 412.471 1.469 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccnc(C#N)c1 1297365414 HHNJPIRRQMUEPT-YOEHRIQHSA-N 401.511 1.795 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H]3C(F)(F)F)CC2)cc1 1300031821 DIZGJHGPTNYUTO-MRXNPFEDSA-N 417.409 1.706 30 10 HDEE CCC(=O)N1CC[C@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1300414025 CSAJFOBHWMPPTG-SFHVURJKSA-N 406.490 1.855 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1300631919 YEODEVIPJNETGT-AWEZNQCLSA-N 416.532 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1Cc1ccccc1S(=O)(=O)N(C)C 1300672311 YHDFWWARYRWQLL-UHFFFAOYSA-N 405.524 1.225 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1300800960 DPAQGAXDPSMHCU-GAJRUTHPSA-N 420.477 1.197 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1301257844 FCMURTDXQAQNII-KRWDZBQOSA-N 424.567 1.922 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2ncccn2)CC1 1301569213 SVYXUQHRKPTDMP-INIZCTEOSA-N 419.555 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C)C(=O)C1 1301577936 QFUYIJCRFIGOLT-UHFFFAOYSA-N 403.508 1.133 30 10 HDEE COc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCOCC2)cc1 1304273620 ZDDAFJVAWNUICA-QFBILLFUSA-N 404.488 1.140 30 10 HDEE N#CCN1CCC(CNC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CC1 1333847305 OXXQADHIJFXSTF-UHFFFAOYSA-N 409.359 1.797 30 10 HDEE COC(=O)c1ccnc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 1357484318 OHTVMONOEJDVCC-OQKWZONESA-N 416.459 1.933 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1358961924 HGFIRQUOIPOJPD-HUUCEWRRSA-N 405.524 1.046 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccc(F)cc1 1358992523 NXXMUROCIXWKKT-GCJKJVERSA-N 409.465 1.739 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1359006586 ATMCMDRHJXCKQX-UHFFFAOYSA-N 421.505 1.653 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCn1cncn1 1359026589 DKGZVTIKVGAYTH-UHFFFAOYSA-N 404.478 1.659 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ncccc2N(C)C)CC1 1359033425 BNPMRODQCPURNP-UHFFFAOYSA-N 402.506 1.605 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359035821 FIACTQXYBXLDBR-RBUKOAKNSA-N 400.571 1.658 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)CC1 1359178495 SWBNXXNPAPCWCE-INIZCTEOSA-N 407.540 1.456 30 10 HDEE C=CCCCCn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1359206776 OSFKLPRSRCUMFK-CQSZACIVSA-N 409.516 1.444 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OC 1438397862 BXZJQSFOEOCRIK-CQSZACIVSA-N 402.494 1.341 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1(CC(=O)OC(C)(C)C)CCOCC1 1446275287 DFQZUTYFCDUNTP-UHFFFAOYSA-N 405.499 1.783 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCOCC3)C2)s1 1449807241 XWUPCBPEVFHDHF-HNNXBMFYSA-N 413.565 1.078 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1 1450835594 WHKWIHATCGWMOY-MRXNPFEDSA-N 404.515 1.621 30 10 HDEE COCC(COC)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1451424707 UCAOGMNBMVLPEC-KRWDZBQOSA-N 412.531 1.379 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1463852451 PABPRFMUFVRBSZ-WBVHZDCISA-N 417.510 1.466 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C1(C(=O)OC)CCC1 1464531845 MHCGURQSBNKBAM-UHFFFAOYSA-N 414.524 1.747 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)c1 1465197036 HXFUKWOOKQVFAU-QUCCMNQESA-N 413.449 1.843 30 10 HDEE CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1465872338 KGYLVMNVFXRWRA-UHFFFAOYSA-N 420.535 1.695 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n1 1466915950 HIXOSWCHGGPSQT-UHFFFAOYSA-N 416.413 1.927 30 10 HDEE COc1ccc(C(=O)N[C@@H]2CCCN(O)C2=O)cc1S(=O)(=O)Cc1cc(C)no1 1468452891 KZAIVXDMHFTWOB-CQSZACIVSA-N 423.447 1.076 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCc4ccncc4)CC3)cc2C1=O 1470805320 PFMCCEORWMDFFY-UHFFFAOYSA-N 404.470 1.864 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N(CC)c2ccccc2)s1 1471891218 ITJJQLYVEPJDFF-UHFFFAOYSA-N 421.544 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)/C=C/c3ccccc3C#N)CC2=O)C1 1472248382 JPKTZJOAYYJOHM-KBOKABMXSA-N 410.474 1.908 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1472272059 WESWUXATMNUSTB-CVEARBPZSA-N 407.492 1.463 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)NCC#C[C@H]1CCCCO1 1472321371 YMNGSXDGOLKWGM-MRXNPFEDSA-N 422.503 1.205 30 10 HDEE COCCOCCN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 1473602090 HGENUQFOCBZOHB-SFHVURJKSA-N 409.490 1.504 30 10 HDEE CCOC(=O)C1=C(CN(C)C[C@H](O)c2cccc(C#N)c2)NC(=O)N[C@@H]1c1ccco1 1473620598 MWOZTXIGMMJJQA-FXAWDEMLSA-N 424.457 1.988 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)CC1 1476217501 CCTCQBIZXHLFRY-OAHLLOKOSA-N 400.479 1.587 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(Cl)cc1 1478894864 RXLVSOFXZOJDPU-MRXNPFEDSA-N 416.865 1.017 30 10 HDEE CCc1nnc(N(CCC#N)CC2CC2)n1Cc1cccc(S(=O)(=O)NC)c1 1498785863 GJZPGFULROJFKA-UHFFFAOYSA-N 402.524 1.927 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1503704142 DXROLEFOPIFOIW-BEFAXECRSA-N 409.538 1.975 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@H]1CCS(=O)(=O)C1 1504886567 FXRIRRYFDGSEKK-MRXNPFEDSA-N 423.564 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1507533712 SKSQCHTWIMBLRF-INIZCTEOSA-N 405.510 1.692 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)cc1 1507543877 XLUOTQYMYCFPIN-KRWDZBQOSA-N 408.506 1.597 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CC1(NC(=O)OC(C)(C)C)COC1 1507602074 LPZYQDPRFSPWLX-OAHLLOKOSA-N 423.514 1.365 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCCC1 1507606015 ZOVNOWQEWKUIDF-UHFFFAOYSA-N 409.556 1.623 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1507623731 WGUUKRDXTVZQEV-KXBFYZLASA-N 422.576 1.997 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)CN2CCCC2)CC1 1507725533 XCKSNJLANOSWNW-UHFFFAOYSA-N 410.570 1.556 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CC2)CC1 1507736821 TYALTBHMSATQCA-NRFANRHFSA-N 401.511 1.306 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507947987 MTFBJWJPIIVSNV-MSOLQXFVSA-N 401.559 1.412 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1508131733 PWLALHCMFCEWHQ-INIZCTEOSA-N 421.571 1.453 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1508422955 HSAFOUUEOALYQN-AWEZNQCLSA-N 408.503 1.543 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(F)c1 1521879178 QEJLQDIJZHJDNT-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1523979288 DICGHQFCJSVBEZ-GXTWGEPZSA-N 404.471 1.750 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1534425011 UBPZZCOGAAOZAV-LBPRGKRZSA-N 403.298 1.468 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc(OC(F)F)cc1F 1535484427 LBFYTTWACQJAMB-UHFFFAOYSA-N 413.377 1.782 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3ccc(Br)cc3=O)CC2)c(F)c1 1536580262 ACDBTKVSUJNXML-UHFFFAOYSA-N 419.254 1.970 30 10 HDEE C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1537430556 IUOTXYLVYWKPAZ-SFHVURJKSA-N 402.447 1.951 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539226012 SGGQYPFBIBLDKE-SFHVURJKSA-N 405.568 1.343 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)COCCO1 1539251766 PEICZDPCLSAZNU-QFIPXVFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(F)cccc1F 1539267419 ZKDGLOBJVJQRSJ-OAHLLOKOSA-N 418.469 1.774 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539524887 PNMXKTJQCXUIRA-OAHLLOKOSA-N 403.533 1.938 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1539530661 LKAMBCLEPUTLPU-UZLBHIALSA-N 421.567 1.352 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@H](C)CC 1540074388 YGTCPYYWVCNEFB-OAGGEKHMSA-N 415.560 1.294 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)C1=O 1540090099 RLTCFMGZFZAJPD-QGZVFWFLSA-N 406.442 1.501 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1540582979 DAOGSWZMZYPZSA-SFHVURJKSA-N 423.477 1.817 30 10 HDEE C#CC[C@@H](COC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1543467340 CTUQFIBOMIVIOQ-KSSFIOAISA-N 422.279 1.371 30 10 HDEE C#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)cc1 1544039067 WBFJKKKYJRNYSP-SFHVURJKSA-N 424.478 1.921 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1 1544420144 BFOPIKQYJQYGJT-IFXJQAMLSA-N 406.508 1.902 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)OC(C)(C)C1 1554504401 CSPBBCSWJKXNTO-AWEZNQCLSA-N 418.523 1.370 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1554636341 FHWBMVYPASTZGK-IBGZPJMESA-N 424.505 1.712 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1555637951 YXIKBYODHNCDPI-JLTOFOAXSA-N 416.457 1.591 30 10 HDEE CO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555772771 AIUPSGIPABGWNX-NZKCYVOASA-N 416.482 1.271 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)C[C@@H]1O 1555940648 KJSLYGKGWQFSBM-DOMZBBRYSA-N 422.411 1.702 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCOCC2CCOCC2)CCO1 1555993507 PKFAPIKHPCQMGH-LJQANCHMSA-N 412.494 1.902 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OCCN2C 1556314765 YIHGIWKYJWPYFW-ZDUSSCGKSA-N 400.460 1.692 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1564675152 LSOPBLBMGIWINP-RHSMWYFYSA-N 420.514 1.850 30 10 HDEE CN(C)C(=O)Nc1cccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1569207224 AZXPQZYWKMRQNM-UHFFFAOYSA-N 401.448 1.569 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1569724643 BFBPFORGISNINM-INIZCTEOSA-N 409.464 1.742 30 10 HDEE CCNC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)s1 1586239523 ANODAJWZNGQHQJ-NSHDSACASA-N 420.516 1.983 30 10 HDEE CCOC(=O)CC1(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCOCC1 1587070992 IMGQUKMMVMHQTF-UHFFFAOYSA-N 422.503 1.996 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588053088 AYBLEKVPYVCWIR-OAGGEKHMSA-N 412.581 1.898 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1588064709 NQJGGVLHZQRYLZ-KRWDZBQOSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1588094298 YJFMKZHORNCFRG-UHFFFAOYSA-N 413.283 1.296 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1588109561 HVRSWBFQVBIHJV-NRFANRHFSA-N 402.462 1.155 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](CC)N2CCCC2)CC1 1588848974 SVOHBPXTBNUMAS-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589493984 JSSWPANPFNUNSI-WMZOPIPTSA-N 411.572 1.818 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2CC(=O)N2CCOCC2)CC1 1594193569 RQLCWKHFWGUERW-INIZCTEOSA-N 407.515 1.263 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594813694 WPQNLDZFKDQEEU-GOSISDBHSA-N 418.542 1.713 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1594825000 UAVQPGZCCHVUTP-GOSISDBHSA-N 407.478 1.838 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1595381551 IDTWYNQCDOHLCD-GOSISDBHSA-N 404.478 1.270 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCOC[C@H](C2CCC2)C1 1595562304 UCXMHLJDVKHBAS-LJQANCHMSA-N 410.522 1.819 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)C1 1595665256 QYAHGAWWJZUJHN-LLGFUMIMSA-N 419.526 1.536 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)O)C1 1595689989 YPXTZJKOLYOECJ-MRXNPFEDSA-N 420.535 1.901 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCCN(S(C)(=O)=O)CC1 1595901331 UGJSYBUOTMCMKL-UHFFFAOYSA-N 403.574 1.206 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1 1597602065 QIZQNDOYBOTOIE-INIZCTEOSA-N 406.508 1.355 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705643 VJMPQXLGKBAYNJ-PGRDOPGGSA-N 406.417 1.748 30 10 HDEE C[C@H](CC(=O)NC1CC2(COC(C)(C)C2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1603287209 ZCWKTHIESGFFSS-WCGZIJFHSA-N 405.520 1.968 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)C1 1611767148 IDHSESPLQNRMRO-JTDSTZFVSA-N 407.540 1.737 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1613547378 DCZWEBVKBLCSTQ-SJLPKXTDSA-N 418.542 1.988 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1615841861 HDSPXPFBLUTIOX-OPYAIIAOSA-N 419.549 1.988 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C1CCN(C)CC1 1617454689 RZDATDPOLMCFJN-UHFFFAOYSA-N 418.544 1.468 30 10 HDEE CO[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1(C)C 1619526085 PRBHZSHVAACCCC-CJNGLKHVSA-N 419.507 1.554 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](C#N)C1 1619779275 GNVRTRUXSVGGNJ-NQIIRXRSSA-N 415.494 1.682 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(-c2ccccc2)c1C 1620505477 BKTDBRHVKKKFQQ-HDICACEKSA-N 405.458 1.451 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 1624478879 QIMDERWCSARAAI-OAHLLOKOSA-N 407.536 1.905 30 10 HDEE C=CC[C@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OCC 1624931664 FKFOFBUSYGCMGT-HNNXBMFYSA-N 419.503 1.959 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C2/SCC(=O)N2C)cc1 1630385902 HZFPGWODFAAVKU-WWDVWQGPSA-N 408.505 1.485 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2 1632365620 YBJQMYKGEAQAIT-WLNNIECUSA-N 417.531 1.583 30 10 HDEE CC1(C)OC[C@@H]2C[C@]21NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1632917958 XPLZGOWNXMJFGW-XOBRGWDASA-N 405.520 1.969 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 1633164810 ZRFFKAINPKEJME-QGZVFWFLSA-N 400.523 1.927 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC3(CO)COC(C)(C)OC3)ccc2c1=O 1634381806 YYLCCLMGSYSNRH-UHFFFAOYSA-N 405.476 1.115 30 10 HDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1635160478 OCNNJNWTSNOOLW-UHFFFAOYSA-N 419.425 1.077 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1637862074 FCKDPMYUXLRSAD-OAHLLOKOSA-N 401.529 1.081 30 10 HDEE COc1cc(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)ccc1C#N 1638987847 XKBWSSGZQYETNE-UHFFFAOYSA-N 420.413 1.158 30 10 HDEE CO[C@@]1(CO)CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1640082134 OSNKELZRBBWEAB-SFHVURJKSA-N 408.296 1.757 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc2c(N)ncnc21 1641663722 FNTHPRUBTKFVTO-ZDUSSCGKSA-N 403.487 1.774 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)CCN2CCOCC2)ccc1F 1641967506 BTVOVXIZNHISHF-UHFFFAOYSA-N 413.515 1.521 30 10 HDEE C=CCN(C)CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 1642863340 WCOIOSLNUDLFST-UHFFFAOYSA-N 412.512 1.560 30 10 HDEE Cc1ccc(C(N)=O)c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1644039645 CLFXVYHSUNIMPM-UHFFFAOYSA-N 400.460 1.551 30 10 HDEE CN(Cc1nnc2n1CCN(C)C2=O)C(=O)c1ccc(Br)cc1C#N 1644724640 IARLASBKTPNPOC-UHFFFAOYSA-N 403.240 1.270 30 10 HDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1646403653 ZGVVQFADGHSWHT-SFHVURJKSA-N 415.446 1.745 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1649056045 HPZMRNVJSCTQRZ-UHFFFAOYSA-N 409.689 1.472 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1649539656 PSQNYRSOONBMMU-LAUBAEHRSA-N 403.527 1.791 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)n(-c2cccc(F)c2)c1C 1654538199 PNSZCBVKTWOVPQ-HDICACEKSA-N 423.448 1.590 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)N(CCC#N)c3ccc(C)c(C)c3)C[C@@H]12 1659466870 KDXMTQAWVJRMQD-OTWHNJEPSA-N 405.520 1.294 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1667123056 HCYIGVKGJZEMFK-UHFFFAOYSA-N 416.478 1.320 30 10 HDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1671577092 ROZCDJRQLUGZDW-RTBURBONSA-N 423.517 2.000 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)nn2-c2ccc(C)cc2)CC1 1672810556 PDIUHAKARTZYHQ-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCOCC3CCCC3)CC2)cc1 1673411686 LLKQNEWJYQNGRF-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE COCC[C@@H](COC)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1682896261 BEIZNHIZLFJZAD-SFHVURJKSA-N 412.494 1.831 30 10 HDEE C#CCN(C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1683096595 RZDOXEBFKRGRBL-JYJNAYRXSA-N 413.540 1.654 30 10 HDEE N#Cc1csc(CNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)n1 1685441254 GPYPEFVYOXSWJL-AWNIVKPZSA-N 414.472 1.945 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689855900 FOCRWKDMNOWWJH-HOTGVXAUSA-N 402.524 1.003 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1689989145 BIVNLZAAGYQZRA-INIZCTEOSA-N 418.567 1.584 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCO[C@H]1C 1690028451 WWIGQEKCBVXEDN-FBAVSBLXSA-N 400.523 1.809 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690167698 NPNZISJRZOFKAA-OAQYLSRUSA-N 414.579 1.951 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2CCOC[C@@H]2C1 1690177566 ZHPGYEBJWOTFMK-SFHVURJKSA-N 415.538 1.895 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1)c1ccccc1 1690321629 HFJHOTVZORYRKB-KRWDZBQOSA-N 410.478 1.771 30 10 HDEE C=C(Cl)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1690347918 UXKGHLFMAAZDCH-HNNXBMFYSA-N 411.840 1.851 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1690484957 HZPXPRJLSCIUDG-KZNAEPCWSA-N 423.583 1.303 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)C1 1690710377 RMWHILMAELIRBR-OAHLLOKOSA-N 406.437 1.427 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1693382441 FNZJGGVWXGFFJS-QGZVFWFLSA-N 412.498 1.228 30 10 HDEE C[C@H]1CCCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)C1 1693685219 HXQFDOWIUZSAAG-ZWKOTPCHSA-N 410.526 1.976 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1696655180 IYYSTLDZRZHLDB-UHFFFAOYSA-N 422.497 1.244 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@]2(C)CN(C3CC3)C2=O)c1 1705507178 UMGOJMIKWUJXLC-HSZRJFAPSA-N 420.517 1.908 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1c(CC)nn(C)c1CC 1705628658 MIIOEXUCIMBQRH-INIZCTEOSA-N 400.527 1.775 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@@H]2COCCO2)n1 1705631580 JIMSONOBQNDQCC-LJQANCHMSA-N 414.510 1.444 30 10 HDEE CC(C)(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1706185078 ALWZVYYYWCNNRY-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1708919018 BPVRAPSNFAOXIC-FUHWJXTLSA-N 415.519 1.671 30 10 HDEE C=CCC1(C(=O)N2CCN(CCCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCC1 1720675502 PIYGHFGMHWRGPG-RMMWZPCPSA-N 401.551 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1722276158 HJTJHWPVVWGPMV-XBFCOCLRSA-N 410.569 1.915 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722316565 FMBVJJXAYCJUBI-FQEVSTJZSA-N 422.533 1.895 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1722318351 NXNANVTUNJZJKT-XMSQKQJNSA-N 415.538 1.978 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CCOCC2)CC1 1722338876 UBOLZJQKFWSMIG-UHFFFAOYSA-N 411.554 1.854 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1722405457 LUKMLINQGTVWPS-FQEVSTJZSA-N 424.567 1.747 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)OC)C1 1722476627 CMXNYFVUMFJOGA-LBPRGKRZSA-N 412.288 1.422 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1722529486 UFEQNGTVCOFCFK-LSDHHAIUSA-N 415.560 1.342 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1C 1722680030 UFIOQCZHGVKPLS-UHFFFAOYSA-N 421.465 1.410 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722685821 OMDKXJVSRPDUJT-KBPBESRZSA-N 422.511 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722726233 ZNCRIIGNZRRTAE-MRXNPFEDSA-N 423.583 1.841 30 10 HDEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723093171 LPLAJLVNPKUFFT-DLBZAZTESA-N 401.515 1.078 30 10 HDEE Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c(=O)n1C 1724365076 IUBDCIAMTHVGRL-QGZVFWFLSA-N 410.503 1.715 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CC#N)CCCO1 1726732904 AHSJIKWOFXWBNB-IRXDYDNUSA-N 400.531 1.918 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1729599464 WFTLSBHZVBMSNT-HNNXBMFYSA-N 402.405 1.519 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1730891788 RKMUUPGZXKVMKP-RTBURBONSA-N 424.505 1.727 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N(C)C 1740726312 XIWYPHAYWGUYIA-NHCUHLMSSA-N 403.527 1.789 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740861281 HZVCRSQTIXYVIP-OAHLLOKOSA-N 405.528 1.609 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1740900524 ZRPDFXUHUPTDOC-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1)C1CC1 1740906533 PLKUALLVFFMWKN-GJZGRUSLSA-N 419.555 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740956608 OQSUTVJBGYOYOJ-MVVMVCHASA-N 416.913 1.893 30 10 HDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CCOC1(C)C 1743374943 HEIPGSRHBUOJAF-ZHRRBRCNSA-N 410.522 1.887 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1743381128 APEXCTGIZBYQCT-VFNWGFHPSA-N 407.478 1.727 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747281784 UQVSOVUUJGMCOK-HMWBCQRISA-N 400.483 1.545 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1748635759 XHPRMWBYXBBBAX-OALUTQOASA-N 415.586 1.246 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1748824760 SQNRJOQGWNOBMR-KRWDZBQOSA-N 410.540 1.258 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cnn(CC(C)C)c2C)CC1 1748986865 KCVGTHYRGUZBBI-UHFFFAOYSA-N 419.537 1.700 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1748994468 IOGLMJFASGIFGU-VXKWHMMOSA-N 423.561 1.870 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(CCOC)C1 1749155974 OGJKOCGTHCVAKB-HOTGVXAUSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N(C)OC 1749671140 YZWGZXNCUVQDAL-UHFFFAOYSA-N 408.503 1.692 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2CCCO)C1 1749703670 MPVGDFLFBLJYCD-OALUTQOASA-N 412.538 1.968 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN2CCCO)C1 1749707809 GRNNMIKLKJFYLM-SLFFLAALSA-N 419.570 1.800 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCC(F)F 1751217293 BXCUFXDJRBIOQD-MLGOLLRUSA-N 420.486 1.300 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1Cn1cccn1)[C@H]1CCS(=O)(=O)C1 1760180640 IRVNUMCHTIXUCW-FQEVSTJZSA-N 424.530 1.506 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1760183094 MCKNAECLWJGBOS-AWEZNQCLSA-N 423.926 1.391 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)OC)C1 1760336090 UUAFXZDLODNFOE-ANQUJSFKSA-N 403.483 1.210 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC(C)(C)C2)CC1 1760391806 RRTDEUORTTTYJF-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC(C)(C)C)CC1 1760521174 LLECIXOROIIFGF-OAHLLOKOSA-N 404.515 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1760555605 IUFDTLJDYIHYTK-ZACQAIPSSA-N 410.540 1.388 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)O1 1764321673 WBOYHQJKFXMVJX-TWOQFEAHSA-N 404.515 1.943 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1766891985 DZBBNZUUIDPMML-RCCFBDPRSA-N 409.494 1.261 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCn2ccnn2)CCOC1 1767424318 GWGWENGHQHJVCQ-IBGZPJMESA-N 400.487 1.352 30 10 HDEE CO[C@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1769769186 CBQXIOFWDFKFRG-UWJYYQICSA-N 410.478 1.543 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@@H]2CO)C1 1770730928 HOFXCWZYQVPQAS-HLIPFELVSA-N 406.506 1.808 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCCN2CCOCC2)CCO1 1770752659 ZPHYIOLDBGERKO-GOSISDBHSA-N 416.551 1.772 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCO[C@@H](C)C1 1771305276 YHQPANSHLDBDGT-RZFLPCETSA-N 405.499 1.546 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CC#N 1772882546 PKZZHHNKOONSFJ-JYJNAYRXSA-N 406.531 1.903 30 10 HDEE O=C1CCc2cc(S(=O)(=O)NCC#CCN3CCc4ccccc4C3)ccc2N1 1848964031 CVUYGQULMVPEDB-UHFFFAOYSA-N 409.511 1.911 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CCOC(=O)c3ccc(C#N)nc3)CC2)cc1 1851122605 UQCZGHNTQPIJJV-UHFFFAOYSA-N 414.487 1.425 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)CC2)n1 1851255828 MJKVPUPKSSOCNF-SFHVURJKSA-N 405.462 1.087 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4cc(OC)ccc4C3)CC2=O)CC1=O 1854318879 KFXQZXVQPKEMMA-APWZRJJASA-N 411.502 1.463 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@@H]2CCc3ccccc32)C(=O)C12CCCC2 1854404317 MQCMRXIEPTYATR-KRWDZBQOSA-N 415.515 1.943 30 10 HDEE Cc1cc(C)c2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)CC3=O)c2c1 1854618442 XWHSVTCQWCOCCI-UHFFFAOYSA-N 400.460 1.298 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cncc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645724 KRBWMIIVVPNGMB-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE C=CCN1CC(=O)N(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)c2ccccc21 1854812265 YFMBBWKZXSFPDE-MRXNPFEDSA-N 407.474 1.563 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1Br 1854898530 DXDPLYYHMYHIOA-JTQLQIEISA-N 400.254 1.111 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)c3cn(-c4ccncc4)nn3)C1=O)CC2 1855022967 MMQAMIAYERRFPP-CRAIPNDOSA-N 405.462 1.419 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1855037828 CRMSYALCYMMCGD-DLBZAZTESA-N 416.547 1.943 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CCS(=O)(=O)C1 1855232003 VGFUOXCHSGXDBU-ZFWWWQNUSA-N 423.922 1.514 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C1(C)C 1856105922 ARPQFYMSXHSDGY-OAHLLOKOSA-N 404.536 1.923 30 10 HDEE C[C@H]1CC(=O)N(C(=O)CN2CCCS2(=O)=O)c2ccccc2N1CCCC#N 1856318379 TXFQZPGIEBALMG-HNNXBMFYSA-N 404.492 1.484 30 10 HDEE Cc1ccnc(C)c1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856379135 OSFNCVZMMUPYRI-MRXNPFEDSA-N 405.458 1.717 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3cc(C4CC4)on3)C2)C1 1856411087 XKBRQMHMUOALBI-CYBMUJFWSA-N 407.430 1.571 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)CC#N)C2(CCCC2)C1 1856573198 WOXHOHGQVQWODD-UHFFFAOYSA-N 416.503 1.265 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=C/C(=O)C(=O)N2CCC(C(N)=O)CC2)cc1 1860733587 KYXXXMUTNZXGTF-JXMROGBWSA-N 415.490 1.240 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCCN(C)C 1870576786 QCORYBYPBZFEND-UHFFFAOYSA-N 418.567 1.817 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2C[C@H](C)C[C@@H](C)C2)n1 1871507164 IVIGVWXCHBICPB-ZIAGYGMSSA-N 417.539 1.765 30 10 HDEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593431 BVNLZJNQLRLOIC-MRXNPFEDSA-N 412.494 1.195 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](CS)C(=O)O)[C@@](C)(C(F)(F)F)C1 1882729026 HZSKPAWOWQCYLY-ITMYJUKJSA-N 400.419 1.921 30 10 HDEE C[C@@H](C#N)OCCS(=O)(=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074664730 BYJGBFCLYYDPCE-ZFWWWQNUSA-N 412.464 1.488 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CC[C@@H](C#N)C1)CC(F)(F)F 2118166964 MMWAVEXOPWDYPE-QWRGUYRKSA-N 400.423 1.512 30 10 HDEE CC1(CCNS(=O)(=O)CC2(C#N)CCOCC2)CN(C(=O)OC(C)(C)C)C1 2179865929 ZGMIHJFNVAOWDD-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N[C@H](C(=O)O)C1CC(F)(F)C1)C(F)(F)F 2180574129 GXURJRWMOWCYQX-SSDLBLMSSA-N 400.222 1.601 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180889003 RANQGFZBVQGRFZ-SNVBAGLBSA-N 416.887 1.201 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@]1(C)COCCN(C(=O)OC(C)(C)C)C1 2199844863 WFDOGVPTANBJMZ-YJBOKZPZSA-N 403.545 1.975 30 10 HDEE C#CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2203913662 XQSYWSKBUIEEGT-KUHUBIRLSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247812385 PIMXIWFPTOXEDZ-ZIAGYGMSSA-N 422.287 1.590 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)C1 2247824787 VHZXZKLYMUBUMH-BETUJISGSA-N 423.319 1.450 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247825392 CVXOTVGKXYBGFS-AWEZNQCLSA-N 420.319 1.742 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247928680 GUAMFXCUEIERNJ-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1cc(Br)cc(C#N)c1 2249529180 WACPZWQWLUTMIS-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250001020 QOHVTHSKMBFGIN-HZPDHXFCSA-N 422.331 1.745 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2250273459 RRQRVFOFTYIXHK-JSGCOSHPSA-N 420.319 1.742 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2270504823 YDXHDIOAMFVZKV-KRWDZBQOSA-N 422.503 1.710 30 10 HDEE CCC1(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2282317295 PBEPZFPYLAKOOK-UHFFFAOYSA-N 420.793 1.979 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282338891 QNUOADUPSRMKHY-LBPRGKRZSA-N 402.347 1.226 30 10 HDEE CC1(C)C[C@H](N)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353413 VDBQONNOROYUIQ-GFCCVEGCSA-N 400.375 1.938 30 10 HDEE CCSCC[C@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282425801 ULAFIGCLTZTKIY-LBPRGKRZSA-N 403.379 1.529 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@@H]2CCSC2)n1 2282494970 FSKQTRIINUIPAH-GFCCVEGCSA-N 401.363 1.141 30 10 HDEE CCCC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CNC1 2282498738 IUZQBNZZUGNQTA-UHFFFAOYSA-N 401.363 1.004 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCC3(N)CC3)ccc2Cl)OC1(C)C 2282502432 LBKHKBQLSBHACZ-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@](C)(CN)C2CC2)OC1(C)C 2282506961 ZUNPYOLLNJWTRQ-QGZVFWFLSA-N 400.375 1.594 30 10 HDEE CCc1nc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282524763 GEAJRVOGPXGVBF-LJZMDLFKSA-N 400.375 1.844 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282599464 SKIICXNHRMFRPV-SANMLTNESA-N 401.359 1.481 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCNC[C@@H]3CO)sc2Cl)OC1(C)C 2282618758 OFDUARHKGJVJEH-PWSUYJOCSA-N 400.737 1.401 30 10 HDEE C[C@@H](CCN)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282837702 GLDLIIXXEJMMON-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](O)CC2)OC1(C)C 2282845535 VAHXICNTTVZHAJ-CQSZACIVSA-N 401.359 1.724 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC(F)(F)C(F)F)OC1(C)C 2282846391 IYVGOXILNKKABV-UHFFFAOYSA-N 418.243 1.762 30 10 HDEE CC[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282847006 RTUCQOJDSKBGNJ-LBPRGKRZSA-N 403.737 1.936 30 10 HDEE C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282867666 BWBGNMSZRBCBFM-LLVKDONJSA-N 423.387 1.149 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288909888 JJGOMBFOEZZEKC-ZIAGYGMSSA-N 401.359 1.722 30 10 HDEE COc1[nH]c(=N[C@@H]2CON(C(=O)OC(C)(C)C)C2)ccc1B1OC(C)(C)C(C)(C)O1 2301563039 VEQOUOLZAFYARG-ZDUSSCGKSA-N 421.303 1.774 30 10 HDEE Cn1cc(I)c([C@H](C#Cc2nccs2)OCCCN)n1 2363529648 VXSNHHFIOYWHFS-NSHDSACASA-N 402.261 1.939 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2365207854 ARFHFBHFBJEAFS-HOTGVXAUSA-N 401.573 1.342 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365208076 RGJAWMOCGZAXQV-IFXJQAMLSA-N 401.525 1.828 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)[C@H]2C[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365212670 QZVNHQHKRCROBV-NXEZDXNNSA-N 400.541 1.019 30 10 HDEE Cc1cc([C@H](C#N)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc(C)n1 41574017 OYKJUCZZIFWFDO-SFHVURJKSA-N 414.487 1.913 30 10 HDEE N#Cc1cccc(CN2N=C(C(=O)N3CCOCC3)S(=O)(=O)c3ccccc32)c1 65183295 PNPHIQLNQLXKTB-UHFFFAOYSA-N 410.455 1.524 30 10 HDEE COc1cccc([C@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72445465 ZOSJJWZVAMVIKR-UKRRQHHQSA-N 409.446 1.944 30 10 HDEE CN(C)S(=O)(=O)c1ccc(-c2nc(N3CCCCCC3)[nH]c(=O)c2C#N)cc1 223973295 UHUSDSPFUSXUGL-UHFFFAOYSA-N 401.492 1.939 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 254439546 URKQCMABCFNQNR-ZIAGYGMSSA-N 414.480 1.678 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CCO)[C@H]2CCO[C@H]2C)c(C#N)cn1CCOC 432415505 CTFCFOGOZMAURZ-ZFWWWQNUSA-N 408.455 1.186 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cnn1-c1cccc(C#N)c1 443686245 DSTIACOOGQRLJP-SFHVURJKSA-N 422.489 1.178 30 10 HDEE COCc1noc(CN2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 474266293 KBUMARMXEJZOMU-IBGZPJMESA-N 407.471 1.122 30 10 HDEE N#Cc1ccc(CS(=O)(=O)c2nnc(-c3cccs3)n2CCC(N)=O)cc1F 478776014 WVFJPGZVMHNLHF-UHFFFAOYSA-N 419.463 1.867 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccsc2)C1 482806171 ZGGJECBPZZDODP-GUYCJALGSA-N 405.501 1.887 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C(=O)OC)c2cccc(Br)c2)CC1 501257980 VQSFKNMDHOJCJB-KRWDZBQOSA-N 410.312 1.583 30 10 HDEE COc1ccnc(N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)n1 503335917 VOLHOGGKHYFWDH-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 503413551 GNRUULWSODDPCM-UHFFFAOYSA-N 403.254 1.300 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCC[C@H](C(N)=O)C3)CC2)cc1 505187378 LFQBJNUUBKFUJV-DLBZAZTESA-N 418.519 1.119 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C#N)s4)CC3)C2=O)n(C)n1 506859868 PQJRUBWAYVOQCX-MRXNPFEDSA-N 412.519 1.615 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)CC1 514413655 SVCXMVUJICUZQK-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 517499575 ROHZIDDWRNOJRQ-KRWDZBQOSA-N 401.444 1.441 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)C1 522401125 QWTZTFIEMKQZBZ-AZUAARDMSA-N 414.554 1.922 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@H](O)COC[C@H]2CCCO2)CC1 533342613 BWUPXLPNJRVTDG-JKSUJKDBSA-N 402.451 1.485 30 10 HDEE Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@H](C)n2cnc(C#N)n2)c1C 539505826 ONNRUGZXCRBBNX-IRXDYDNUSA-N 410.478 1.974 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1ncc(I)cn1 545207776 ZEUIAQZPCGZUHZ-JTQLQIEISA-N 407.219 1.458 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CC=C(C)CC2)cc1 545874268 PHCMVCIRJNNFOY-UHFFFAOYSA-N 420.535 1.200 30 10 HDEE COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2cccc(C#N)n2)CC1 546208781 DEPJWXINWCRWTP-HXUWFJFHSA-N 419.485 1.202 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CC(=O)NCCCN1CCCC1=O 551098821 QCVYHKLOIIRCHY-UHFFFAOYSA-N 400.866 1.964 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 558990140 MUXQOALQBYUMRB-FQEVSTJZSA-N 414.535 1.952 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)cc1 559171792 FJAFYAYYZVOVBM-HTAPYJJXSA-N 422.489 1.482 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2C[C@H](O)CC(F)(F)C2)cc1N1C[C@@H](O)CC(F)(F)C1 588029123 MWYLIKSVEIMWKR-NWDGAFQWSA-N 418.347 1.879 30 10 HDEE CO[C@](C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 609296084 FUPYQPCMYQQDSP-NRFANRHFSA-N 413.499 1.953 30 10 HDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H](O)C3)cc2F)c1 610606496 FQHBPQPVNNBXOQ-CALCHBBNSA-N 413.405 1.169 30 10 HDEE Cc1c(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cccc1S(N)(=O)=O 611080460 PXDIUBFPKDYEMN-GOSISDBHSA-N 416.478 1.804 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 669808667 LJWAHVLTRRVEON-AWEZNQCLSA-N 401.533 1.048 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)NCc2ccc(Br)cc2OC)CC1 672006605 JBMKXXGYMZRXQF-UHFFFAOYSA-N 410.312 1.841 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727417972 MKBOYFSYSMQCOF-UHFFFAOYSA-N 407.451 1.319 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465207 DTGUVAGVAYCYOE-FMQUCBEESA-N 410.478 1.158 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732708980 XMWJMJOEJNOFCV-FQEVSTJZSA-N 421.501 1.638 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)[C@H](Oc1ccccc1C#N)C(C)C 735771145 KQBWYMVVZPVVHB-DOTOQJQBSA-N 423.491 1.350 30 10 HDEE CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 740505683 DTBAEKGGSOGBNF-KTNMXJNISA-N 408.524 1.846 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCN(C)CC3)cc2)cc1C#N 747494611 BFRMLGSCCKAEJO-UHFFFAOYSA-N 421.501 1.964 30 10 HDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1cccc(C#N)c1 751623251 PUGPXPZZJJROPG-LJQANCHMSA-N 416.455 1.993 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 752701697 MHOTUXNWHKZYDP-ZDUSSCGKSA-N 415.471 1.858 30 10 HDEE CCc1c(C(=O)OCCOc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754349663 ACSIJHIHUDEZLO-UHFFFAOYSA-N 408.414 1.302 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3nc(C(C)(C)C)no3)cc2)CC1 758107146 JPEJFJTUAQTGHX-UHFFFAOYSA-N 406.512 1.749 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NN=C2C(=O)N(CC)c3ccccc32)cc1 767797274 UOFKTKPUXQFORY-UHFFFAOYSA-N 401.444 1.912 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1C1CC1 770764319 KOCBZSXTQGKXPR-INIZCTEOSA-N 406.446 1.419 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 774024580 SPTCTSBBWAKOPS-UXLLHSPISA-N 406.508 1.349 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774187246 GFYQRLSROHJFNB-HZPDHXFCSA-N 413.540 1.465 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)nc1 776062162 SAHAHRKZMWTNPV-CQSZACIVSA-N 406.512 1.362 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(C#N)cc1 780205144 LMIFPBVIDDRBBI-YWZLYKJASA-N 409.442 1.895 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCNC(=O)c2cccc(Br)c2)cc1 780918971 DDMNZRCJSVDCRI-MRXNPFEDSA-N 402.248 1.900 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)c(C)n1 781659464 YFJWCGHXCDRPCG-UHFFFAOYSA-N 410.499 1.047 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCO[C@H](COc2ccccc2)C1 792361188 XFFAORGETFBVDS-KRWDZBQOSA-N 413.405 1.973 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cnnn2Cc2ccccc2)cc1 793023624 BDYYQDUFPQXEPF-UHFFFAOYSA-N 413.459 1.816 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(Cc2cccnc2F)C1=O 794442918 WVUFASYZFRKJJQ-CDTGLVORSA-N 401.467 1.795 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(OC)cc2)=NO1)[C@H]1CCS(=O)(=O)C1 802371646 WORFLYZCNVGJPP-DOTOQJQBSA-N 405.476 1.020 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@](C)(O)CN1Cc2ccccc2C1=O)c1ccc(C#N)cc1 803468068 QEZZQKPWORWYQD-PGRDOPGGSA-N 408.410 1.723 30 10 HDEE CCN(C(=O)[C@@H](C)OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 803923753 YOFHGTNBLNLFSD-CXAGYDPISA-N 422.478 1.696 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C(=O)C(=O)OCC)n(C)c1 805104378 VNQZXCCAZNPJBG-INIZCTEOSA-N 402.472 1.684 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCCCC2 817008094 DLQGNVJWWITKGT-ZDUSSCGKSA-N 416.507 1.311 30 10 HDEE Cc1nnc(NC(=O)CO/N=C(/c2ccc3c(c2)N(C)C(=O)CO3)C2CC2)s1 821229031 VCLXAQBQYPLUAF-OQKWZONESA-N 401.448 1.971 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)c3cc(OC)ccc3OC)cc2C1=O 917104951 IENWXKOBWQYFLY-GOSISDBHSA-N 410.426 1.949 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)NS(=O)(=O)Cc3ccccc3C#N)c2C)cc1 920322576 OIDCXAIFRJLCEO-UHFFFAOYSA-N 409.471 1.945 30 10 HDEE NC[C@@H]1CCC[C@H](C/N=C(/Nc2ccc3c(c2)OCO3)N2CCN(CCO)CC2)C1 1088703235 OAUGAFAPBLGQTG-MSOLQXFVSA-N 417.554 1.558 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(I)c1 1132452553 SVQFIBCFOZMYAP-UHFFFAOYSA-N 402.188 1.829 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)Cc2cccnc2)cc1 1140070488 SJFLPOLBXONZFV-KRWDZBQOSA-N 401.488 1.740 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1142979882 MBMCDZQGMLQSCS-JKSUJKDBSA-N 409.531 1.542 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)nc2cc(O)nn2c1C 1146298178 AEWYZLPPCHECEV-OAHLLOKOSA-N 401.467 1.975 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(C(=O)OC(C)(C)C)CCC1)c1cc[nH]n1 1167997734 FMCHKUHZARODKN-UHFFFAOYSA-N 408.455 1.322 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OC 1177964086 ACDWTSZFGHTZRU-RYQLBKOJSA-N 406.454 1.344 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CO)(C(F)(F)F)CC2)c1 1213917518 WRGVJTACBZEAAB-UHFFFAOYSA-N 406.426 1.928 30 10 HDEE CN1[C@H]2CC[C@H]1CC(NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1228500606 IATAOFYTXCGCIY-ROUUACIJSA-N 417.535 1.199 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3CCSC3)CC2)cc1 1234569710 KDXFYBSCINOSBS-INIZCTEOSA-N 408.549 1.717 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)C1 1248675104 CJEHDDMWFPZJCS-HZPDHXFCSA-N 408.424 1.903 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CCC1 1251997827 VBXAPNPVXJJJDN-UHFFFAOYSA-N 407.452 1.305 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCN(C(C)=O)C2)c1 1286309568 RZPLHFUMMUNXPU-IBGZPJMESA-N 408.506 1.901 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO 1286564522 VYXGXBJKNMOMSW-GOSISDBHSA-N 404.559 1.763 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1286758189 GGWAZDMVILLQHX-QGZVFWFLSA-N 419.507 1.518 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C)C1 1286817744 XJBZIXBKEWRIDD-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C2CC2)CCC1 1288825502 GTYIHLDTHGHJKI-ACJLOTCBSA-N 410.519 1.911 30 10 HDEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1290256669 LWLAHYOGZZCPHL-FQEVSTJZSA-N 413.503 1.523 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(F)(F)C(F)(F)F)CC2)cc1 1290636492 OOPPFGFRBIESOZ-UHFFFAOYSA-N 411.352 1.979 30 10 HDEE CC[C@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1292366199 VQHKAGOULBEUPR-IGCQWYOMSA-N 414.510 1.762 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(I)ccc2O)CC1 1297802530 PPWJFZSYCOVOTR-UHFFFAOYSA-N 414.199 1.916 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1298666192 PZJNQUNHLXBJDJ-HOTGVXAUSA-N 404.467 1.863 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1298915325 KAFRGNUDZAXSLV-HNNXBMFYSA-N 406.531 1.904 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1300294916 BCDREMFOQGLHTO-IAGOWNOFSA-N 420.521 1.805 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1300308902 DZPUJIFSPXRLSL-GJZGRUSLSA-N 407.515 1.815 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300421455 HFFJABYMXDDDKA-QGZVFWFLSA-N 424.509 1.026 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1300485172 YACZHAAQAFDLNB-OAHLLOKOSA-N 406.508 1.634 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1300515521 AFDIBZALTABCRO-INIZCTEOSA-N 400.483 1.261 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1n[nH]c(C)n1 1300554530 DSSAGKCLFLAMSS-UHFFFAOYSA-N 403.450 1.058 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1300620964 IESXYHIGKTXNRV-AEFFLSMTSA-N 406.490 1.742 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC[C@@H]1COCCO1 1300654640 BSDLVVPFLAHDGT-LJQANCHMSA-N 400.479 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C)c2)CC1 1300683993 VRLDZLYNOYLJLM-QGZVFWFLSA-N 416.551 1.000 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](C)COC)CC1 1300700637 TZQWBLBVHWCPKI-XLIONFOSSA-N 411.506 1.828 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCSC)CC1 1300724709 CGLWATHZSYOSAJ-KRWDZBQOSA-N 405.568 1.891 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1 1300883936 GGRMARDUXKGUEF-CBZIJGRNSA-N 416.526 1.173 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1301953528 SHFBXNLFZDVLTQ-GJJHYRHESA-N 407.515 1.454 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)C1 1303557370 CSHFYTBFTWXZTA-MRXNPFEDSA-N 404.515 1.410 30 10 HDEE CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304271648 OULUVOVDZGJSGF-GDZNZVCISA-N 417.553 1.030 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1309763295 YQVLYTOOKNHUQE-DLUDVSRJSA-N 423.944 1.899 30 10 HDEE C#CCN(C(=O)Nc1nccc(N(CC)C2CCCC2)n1)[C@@H]1CCS(=O)(=O)C1 1310701609 AZVCBUDECJGIOP-MRXNPFEDSA-N 405.524 1.900 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1314705904 DVHCYAYMVAWEFH-QGZVFWFLSA-N 414.466 1.328 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1314729303 NBLXVLJQYQZQIM-UWJYYQICSA-N 410.478 1.543 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)CC1 1316536004 KATNKQRNDMTHET-IAGOWNOFSA-N 405.524 1.655 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 1318923133 ASUUDMDAMUCTEQ-WAZZFHTMSA-N 405.476 1.437 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1358910204 HRQGLHKPRFORFN-NRFANRHFSA-N 424.509 1.297 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(=O)OC)c1 1358948583 FVNBVKPWJVYACF-OAHLLOKOSA-N 417.491 1.476 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1358963688 MNDSNLQFJDDWIX-KRWDZBQOSA-N 409.600 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1358994590 RCCGUTXBVSROLM-LJQANCHMSA-N 424.501 1.673 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)COC)CC1 1359027972 BURQIHLLEVKLAG-UHFFFAOYSA-N 411.510 1.353 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1359127284 MWEXHAHTEZSDFR-YJBOKZPZSA-N 415.560 1.486 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1359162804 FIWWZLHGONVBSV-HXUWFJFHSA-N 413.503 1.523 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1CCS(=O)(=O)CC1 1359282891 WENHRPCNNRQDQA-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1359292811 YHLQZBBCJTWZTQ-HZPDHXFCSA-N 406.531 1.071 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359296678 QMJUMTLMUZSYRY-IBGZPJMESA-N 421.505 1.658 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(F)c1 1359298843 NHGYABNGUUABLY-OAHLLOKOSA-N 404.421 1.446 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)C2CCC(S(C)(=O)=O)CC2)cc(OC)c1OC 1435804050 SRGVMMKEGPEWPK-PESDSKBTSA-N 410.492 1.997 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OC 1438400890 LVGSYGSTXZHKIV-GFCCVEGCSA-N 409.489 1.536 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NC[C@]23COCCN2C(=O)COC3)c1 1438551491 SFBCSJFWNKEHII-HSZRJFAPSA-N 421.453 1.495 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cn1 1439802367 OXYGDIOOPHOTQK-SCLBCKFNSA-N 406.464 1.439 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 1439964932 TYOKSNYHIGWHIQ-FQEVSTJZSA-N 413.409 1.925 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1449421390 GBOYMPJSZYCDLB-NSHDSACASA-N 413.219 1.324 30 10 HDEE N#CCCn1ncc(C(=O)NCc2nc(O)c3c(n2)CCOC3)c1-c1ccccc1 1455071853 FYOGTJCHPKZDMR-UHFFFAOYSA-N 404.430 1.962 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)Cc2c(C)cc(C#N)cc2C)CC1 1459911179 MZGIYUFDMLQNMW-UHFFFAOYSA-N 406.504 1.687 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc21 1463916232 TVIXCEIMZOXVLR-UHFFFAOYSA-N 419.489 1.533 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@](O)(c3ccc(F)cc3)C2)c1 1466449924 SCBPXVXQPGIBTL-LJQANCHMSA-N 406.410 1.996 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC3(CCC3)S(=O)(=O)CC2)cc1 1469051656 ADRVWUZLIHLLRL-UHFFFAOYSA-N 410.517 1.043 30 10 HDEE CSc1ccc([C@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C)C)cc1 1470288632 ATRCENHFSPKCAS-VDZJLULYSA-N 422.576 1.591 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F 1472226172 HSDQAGIFFFJTRH-SUHUHFCYSA-N 405.398 1.309 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1472368320 BRMKCNOEXKFGFA-GASCZTMLSA-N 422.507 1.582 30 10 HDEE CC(C)C#CC(=O)N1C[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1490163241 NYTSYNDBXLFDDO-KKEPMVJESA-N 400.519 1.583 30 10 HDEE Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)c1 1492471104 FJZPMASDTSSPSG-INIZCTEOSA-N 411.510 1.893 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1499986611 HJHPIUHQWFETKZ-MRXNPFEDSA-N 423.521 1.695 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2F)CCOC1 1502727949 FCQJXERRCVOCOH-OXQOHEQNSA-N 401.442 1.846 30 10 HDEE CN(C)CCOCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1503403208 QYAKNZFGHIGYAY-HNNXBMFYSA-N 420.464 1.454 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1504801113 VFIKIXANOLYTHL-IBGZPJMESA-N 412.494 1.585 30 10 HDEE COCCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1504812862 IQHUDVQUMDGZDI-QBHGPPCGSA-N 418.498 1.519 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCOCC1 1504888236 MDYWZARGBXKJCX-SFHVURJKSA-N 420.558 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1507520342 YSNJQAVLHVEEAE-SIKLNZKXSA-N 418.586 1.416 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507605449 UCOVHSWSBDVZHK-APWZRJJASA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1507634444 NIQBWTKCPKXLPU-ROUUACIJSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC2(O)CCC2)CC1 1507719711 FCRROZGGSODDES-UHFFFAOYSA-N 410.478 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCOC2)CC1 1507723041 RTAUUKYWVBOMAF-FQEVSTJZSA-N 401.898 1.505 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1507984385 VNLUUNUUJKPDCL-QGZVFWFLSA-N 401.515 1.736 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1510311058 VJDVFNFYVGWGHB-XMSQKQJNSA-N 422.489 1.776 30 10 HDEE Cc1ncc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1511597254 GROCJMVYSFJNDO-HNAYVOBHSA-N 418.523 1.861 30 10 HDEE CCOCc1nnc(N(C)CC(F)(F)F)n1CCN/C(O)=C1/N=CC=CC1=O 1516457659 MALPWMNTGMLTPD-YPKPFQOOSA-N 402.377 1.340 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1519031313 VYVHAOIOCREJQS-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCOC2)C1 1519521786 GFUAMRGLYBZEEH-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1(n2cc(Br)cn2)CC1 1533849691 RFDPIYRBDVMGNE-GFCCVEGCSA-N 416.283 1.534 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCOCC1 1538993690 PLOXEEWXSROBBF-IRXDYDNUSA-N 411.506 1.895 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCCN1CCOCC1 1539038198 MKOOIZZHMCODNW-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCN(CC)C1 1539153740 AILZWBQJVHMQBO-INIZCTEOSA-N 401.536 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)COC 1539257654 NGJUNMHTLURYOM-UHFFFAOYSA-N 418.501 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1539315161 GCGMMUJRYPNLAM-QGZVFWFLSA-N 422.489 1.383 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccn(C)n1 1539413538 MFHIWGPKSPRLAR-UHFFFAOYSA-N 411.466 1.068 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)O)C1 1540894561 AJYMTCIWXVGNHE-CQSZACIVSA-N 405.524 1.822 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1 1541005521 UMTCGSOTSRDYCV-FQEVSTJZSA-N 423.521 1.206 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1541118543 CKKFIILBKOOLRR-OAHLLOKOSA-N 411.514 1.363 30 10 HDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CC1 1542053448 IPQBKZLNPUMUNE-ZDUSSCGKSA-N 417.539 1.667 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1543554525 CCTLQVUINXXLOO-QGZVFWFLSA-N 416.526 1.447 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1544784836 KWYPFUPMMKDPFX-BMFZPTHFSA-N 406.460 1.083 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1555670255 UMHOXTOIXJBHPG-IAGOWNOFSA-N 420.514 1.133 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCc2nnc(S)o2)C1 1556283902 JZOKHRYRKQHOEU-UHFFFAOYSA-N 408.281 1.788 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1556629001 KKEASESJXVMXOE-QFIPXVFZSA-N 410.562 1.572 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](Cc3ccncc3)C(=O)OC)n[nH]2)c1C 1556762476 NSAFMCOOGZXOKM-GOSISDBHSA-N 408.462 1.985 30 10 HDEE N#Cc1ccncc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1557851306 KHWWXKZOYKXVLA-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)CCC)CC1)C(=O)OC(C)(C)C 1558455230 KBEPKORYTQGGRL-UHFFFAOYSA-N 401.529 1.177 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1559939201 KBYBUIOOOGRQBJ-INIZCTEOSA-N 419.526 1.046 30 10 HDEE N#C[C@@]12CN(Cc3nnc(C(=O)Nc4ccccc4)s3)C[C@H]1CS(=O)(=O)C2 1560168395 KGDGQJQZAFYBGA-SJCJKPOMSA-N 403.489 1.161 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(I)s2)CC1 1561866529 LTSWIVABWCHNLK-UHFFFAOYSA-N 411.286 1.892 30 10 HDEE COc1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)c(Br)c1 1562825153 FURZFOLVKZXSPM-UHFFFAOYSA-N 408.212 1.413 30 10 HDEE Nc1c(Br)cc(Cl)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565630294 WQXDSYSRKLVGTM-FYWRMAATSA-N 413.659 1.941 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(C(=O)N3CCCCC3)CC2)c1 1586839917 QGULKJFGSJEOGT-UHFFFAOYSA-N 421.494 1.988 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1587599908 SPMCFCIPMJFRTC-ZSDSOXJFSA-N 400.479 1.960 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)CC)C1 1587696944 DFPTVRQXBAFIBT-KRWDZBQOSA-N 400.527 1.813 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](COC(C)C)C1 1587803758 MJSIHBIPFGEFAS-QGZVFWFLSA-N 412.494 1.969 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1587897981 AZNXDRKOWVXRPY-WMZOPIPTSA-N 401.511 1.522 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1588030560 XKWMEACJYMFNDA-GVDBMIGSSA-N 424.567 1.254 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1588218677 AGNURNVNZHUZMP-UHFFFAOYSA-N 410.478 1.337 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCOCC2)CC1 1588762113 FGABFTDXCSJXML-IBGZPJMESA-N 424.549 1.430 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1588984231 GRZBGCAETQNGKU-AWEZNQCLSA-N 410.569 1.385 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1593740515 BPNMFNHBCCNCLN-KRWDZBQOSA-N 421.542 1.496 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1593746997 PVJVXDCLDPSXCT-UHFFFAOYSA-N 418.542 1.980 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC 1595234385 RHDAHVYABSWIGF-HZPDHXFCSA-N 411.572 1.924 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@@H](C)CC)C1 1595715121 SIDDKWBWPIWYRJ-RDJZCZTQSA-N 401.515 1.765 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H]1c1nncn1C 1595812125 NYNYOILBRQVCPA-OAHLLOKOSA-N 405.528 1.301 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](CO)CCc3ccccc3)C2=O)cc1 1596497733 OTQCSOPRGHEXFJ-UYAOXDASSA-N 420.469 1.873 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(N(C)[C@H]3CCC[C@@H]3C#N)c([N+](=O)[O-])c2)CC1 1612730957 KIXKRAYMSBWQQI-ZBFHGGJFSA-N 407.496 1.659 30 10 HDEE CCOCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1616632636 CMVBAXPTEQKKCK-INIZCTEOSA-N 409.556 1.983 30 10 HDEE CCOCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1617139131 OZAJIUXZMJPDHN-CWFNNOHCSA-N 418.498 1.519 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1 1620175916 DBYKAMDILSZMAP-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C#CCO)c1 1625955178 MELXFDQZEDXAPI-UHFFFAOYSA-N 421.497 1.968 30 10 HDEE N#Cc1ccc(CC(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)cn1 1626427726 NWNYNHONEJKECR-UHFFFAOYSA-N 424.262 1.954 30 10 HDEE CCOc1cccc(CN(CCO)C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1626522740 BKFXLNBNTCLLHX-UHFFFAOYSA-N 416.499 1.893 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@H]21 1629572920 DRZCMQCYINQCBB-BFHYXJOUSA-N 422.931 1.437 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC2(C#N)CCCC2)o1 1631919492 JRUYXTBIEKCOOV-CQSZACIVSA-N 423.491 1.810 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)C1CCCC1 1636570472 LWGICBRCQQVVKL-RTBURBONSA-N 419.551 1.279 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c(=O)c1C#N 1638644346 TYLJMAKXUJPAHO-MNOVXSKESA-N 424.173 1.516 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2ccccc2[C@H]1CO 1639188751 AWQHBTNIURPHIL-RDTXWAMCSA-N 415.471 1.180 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1640016048 NEMAQJNYAXYMCQ-UHFFFAOYSA-N 413.515 1.427 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CO)CN3CCCCC3)C2)C1 1640490404 ASFIDOPDTXFPNI-IOANDJKRSA-N 420.554 1.736 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 1643035267 RZIWHVWFPXXVNH-QGZVFWFLSA-N 411.462 1.761 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CCNS(=O)(=O)c2ccccc2F)C1 1643499827 XOSZGDYSYDDTAH-FQEVSTJZSA-N 416.478 1.973 30 10 HDEE COc1ncc(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)cc1C#N 1644426319 AESMYJJMXRRQAP-ICGCDAGXSA-N 422.363 1.886 30 10 HDEE C#CCN(Cc1nnc(S(C)(=O)=O)s1)C1CCN(C(=O)OC(C)(C)C)CC1 1644504727 UGCXQJAIDRRKBD-UHFFFAOYSA-N 414.553 1.776 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](C)(CC(C)C)C(=O)OCC)cc1 1645156381 UGUOQZAQBYWINX-HXUWFJFHSA-N 408.520 1.943 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C[C@H](C)O3)CC1 1648152105 SLJXWHRPLVPHOL-URXFXBBRSA-N 410.562 1.129 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCO)Cc2ccc(OC)cc2OC)c1 1652453231 BNAIYWAAJDQKRP-UHFFFAOYSA-N 411.458 1.828 30 10 HDEE COC(=O)N(C)CCN(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1654278229 DNUDAYZNRRHGSE-SFHVURJKSA-N 405.474 1.165 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3cccc4[nH]ccc34)CC2)CC1 1654506394 AZECCBMXYJRSLC-JOCHJYFZSA-N 408.550 1.982 30 10 HDEE COC(=O)[C@@H](c1ccccc1Br)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656344148 UOHJNYQLCFYVAD-SGIREYDYSA-N 413.293 1.533 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)n(Cc2ccccc2)c1C 1656541322 VXMVUAPXDUTAHG-PMACEKPBSA-N 410.518 1.886 30 10 HDEE C=CCC[C@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1662024786 YTLCSNAOTITBLH-AWEZNQCLSA-N 405.517 1.271 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1scc(Br)c1Br 1664948979 HOBMNMNNPSPQMM-ZCFIWIBFSA-N 403.117 1.936 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CC[C@](O)(CC#N)C3)cc2)C1=O 1672648730 UKNZDYAIBBWWCM-NHCUHLMSSA-N 411.462 1.472 30 10 HDEE CCS(=O)(=O)CCCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1673630622 HDFXGPRMMPBMTL-UHFFFAOYSA-N 406.508 1.743 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c2ncnn21 1683984600 DSLLCXYKNOIMSV-SJKOYZFVSA-N 423.456 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1689826593 RBPIBUMCYLRDEH-AVGNSLFASA-N 401.483 1.782 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1689827617 HOXFBJAZVKPOON-HUUCEWRRSA-N 405.524 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1689835380 LHOKSDINUCBDKW-OAHLLOKOSA-N 417.535 1.721 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1690012320 ZGXWGWWWQZBHGN-HDICACEKSA-N 409.538 1.639 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1690042875 GVTAOZLHWJXBIP-UHFFFAOYSA-N 412.519 1.226 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690247042 YZGFCFWBRLQUNN-MSOLQXFVSA-N 423.583 1.999 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)CC1 1690363056 YWMSGICBIQYFJH-UHFFFAOYSA-N 407.482 1.875 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1690496948 CQQNAHYUDBZHGR-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCCC2)C1 1690723368 PFPFKPLCRZXTDK-HNNXBMFYSA-N 407.540 1.601 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COCCO1 1692821228 LVMTVGHCKWSEIX-FHLIZLRMSA-N 417.441 1.701 30 10 HDEE CC1(C)CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692855917 GVIVJGHAXQDJEV-ZPHPHTNESA-N 422.493 1.888 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)c1 1692979519 GZMBIWCEHFDATF-QGZVFWFLSA-N 419.507 1.247 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@]2(CCOC2)O1 1693772177 BQURJLPHGQKUGQ-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1695510136 PYNOYIMQJNBSHA-MRXNPFEDSA-N 411.466 1.143 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1705572812 PKJBDTOQMKRKCO-GDLZYMKVSA-N 410.503 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(C2OCCO2)c1 1705580913 SOQZHLFBIOYMGZ-UHFFFAOYSA-N 400.442 1.902 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1noc(CC)n1 1705590292 HBNKRGMLHLLCMJ-NRFANRHFSA-N 412.494 1.581 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccccn2)n1Cc1nnn(C)n1 1705619055 FPLFVHMCTJWEDE-UHFFFAOYSA-N 403.425 1.691 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705628688 MWJNRLHUJAOZPU-LVCYWYKZSA-N 404.511 1.596 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2c[nH]c3ccccc23)CC1 1705632607 WBKCFBLGHOURBZ-UHFFFAOYSA-N 419.533 1.896 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1705639192 IQZJDRHNKFHADY-BRWVUGGUSA-N 409.531 1.074 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC)C1 1705664042 IIRRYLZZDDBMPL-QGZVFWFLSA-N 404.540 1.358 30 10 HDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705756680 KRJFDVWLTNXJQT-OAHLLOKOSA-N 415.885 1.489 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705828786 YYIKVOYXZCCDLC-IBGZPJMESA-N 401.471 1.302 30 10 HDEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1710142129 BXVGFTIXPWVNOM-KRWDZBQOSA-N 424.571 1.931 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(OCC)CCOC1 1710314727 HMWJUQNQKZZJRP-QRWLVFNGSA-N 406.531 1.831 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1710446930 BOVRCXORCREQCK-PMACEKPBSA-N 402.499 1.148 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)(F)C(F)F)cn1 1711251362 FVTSZGWIRBFUBI-LBPRGKRZSA-N 417.367 1.324 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1712287715 KMGMXYPMZPRDQI-QZTJIDSGSA-N 424.505 1.583 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccn(CC)c1=O 1722425558 DBWQGUMQGZCPDN-UHFFFAOYSA-N 406.490 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1722436167 YQPDUOMONQAFHE-IBGZPJMESA-N 417.517 1.487 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2cscn2)CC1 1722463633 ILZGXCMIDGOLLY-UHFFFAOYSA-N 406.581 1.960 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1722504317 FXMNCAQGTXGCMX-WDSOQIARSA-N 413.526 1.765 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722630273 BOUYFMGXEABSHM-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722699547 JRUVGSFRJPWJLB-QGZVFWFLSA-N 404.559 1.468 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1nccs1 1722702385 JDROHPJNVAQHEM-BBRMVZONSA-N 406.512 1.397 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1722739991 ZNOGYLJQTIBQPP-AWEZNQCLSA-N 400.570 1.715 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722742273 NZXAXYBTMBBLGG-UHFFFAOYSA-N 418.567 1.077 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723645921 JIVOJGIYLNCEGH-UHFFFAOYSA-N 420.477 1.343 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740549261 LGXPMMHGZUIRIS-KKUMJFAQSA-N 404.515 1.990 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740615770 KVESYIJSYBCENR-RXVVDRJESA-N 416.547 1.936 30 10 HDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1740620330 VVMGHMOQWOPUQS-SFHVURJKSA-N 414.531 1.659 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1740622746 IBPDKAFRYYGNGN-NVXWUHKLSA-N 421.567 1.335 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740690143 NOORWRJJRHNAPB-IBGZPJMESA-N 402.587 1.688 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1740694737 SCRFVNBGXWSILI-QGZVFWFLSA-N 408.497 1.267 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740716777 ZHIOIRHSSXSNPP-KRWDZBQOSA-N 416.595 1.655 30 10 HDEE C=C(Br)Cn1c(CC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1740744417 ARHMZTWARUDDJY-UHFFFAOYSA-N 400.321 1.680 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)CC1 1740759651 DMTUHTQCDICWTM-QRVBRYPASA-N 405.543 1.532 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@]2(CCc3ccccc32)C1 1740964306 NGHJFCQEMKLIBE-JOCHJYFZSA-N 411.506 1.795 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](CCC)C1 1740992455 QLXPYGDNZMFQOD-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1741801458 ASWMGMMWEBAXCJ-GOEBONIOSA-N 422.555 1.540 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCC=CO2)CC1=O 1748062518 BURWKBVNGIOQEA-SFHVURJKSA-N 408.462 1.700 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C1CC1 1748418379 CHFPKKNDMJOGDF-KRWDZBQOSA-N 403.508 1.723 30 10 HDEE CO[C@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1748431704 XZLPODYYSFBOBI-GOSISDBHSA-N 420.477 1.941 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1748685564 AUKXZNIZNMMKIC-QGZVFWFLSA-N 419.551 1.871 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCc1n[nH]c(C)n1 1748859737 JYZCWFVCCGGFNU-UHFFFAOYSA-N 405.462 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCNC(=O)c2cccc(OC)c2)CC1 1748973030 VLFJLJGYLRVEJQ-SFHVURJKSA-N 424.549 1.985 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749042864 ALTCGEHXZMCFKM-HXUWFJFHSA-N 413.551 1.365 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749048242 MCMKOJDJGFLJSL-KRWDZBQOSA-N 420.583 1.763 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749626045 KDBREIYDJBUIDV-HZPDHXFCSA-N 422.555 1.246 30 10 HDEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1751130943 RCJSNKIGZAXDLE-QGZVFWFLSA-N 419.537 1.827 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1cccc(N2CCOCC2)c1 1760164293 PDUHBHKFYASQTB-GOSISDBHSA-N 413.522 1.956 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCS1(=O)=O 1760194175 CRMSZVVGGBFGJJ-DLBZAZTESA-N 408.524 1.042 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1760206348 XHOKNBLPZNUZPL-KGLIPLIRSA-N 418.441 1.220 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCn2nc(C)cc2C)CC1 1760258144 QCKKWUHMZHYUGD-UHFFFAOYSA-N 404.522 1.999 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(CC)S(C)(=O)=O)CC1 1760400737 LRTBWMOWJBUPAC-UHFFFAOYSA-N 421.571 1.753 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760428138 PTMHGOJZLNCGHK-ZWKOTPCHSA-N 416.570 1.927 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C(C)C)CC1 1760527247 PWCJBGMWJYPCGX-UHFFFAOYSA-N 412.538 1.732 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1 1760548654 MKPFWYFCQQYURP-UHFFFAOYSA-N 419.555 1.427 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N(C)[C@@H](C)CC#N)CC1 1765562592 NBSKJGLGBXAHDE-SFHVURJKSA-N 411.558 1.891 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-n2ccnc2C)nc1 1766428360 HJELXLGAURYPGE-KRWDZBQOSA-N 408.466 1.481 30 10 HDEE COC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1)OC 1769264024 CBGUCCFZAOCAFR-BOSXTWCSSA-N 407.515 1.794 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N(C)C 1771110232 ICMQVNUEJMOXNQ-UHFFFAOYSA-N 401.427 1.308 30 10 HDEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(=N)N)CC(C)(C)C2 1772729622 XZMWPPZLFNWFQV-UHFFFAOYSA-N 404.515 1.200 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1 1848675658 GOONZZWBAXFWAO-UHFFFAOYSA-N 413.381 1.756 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CCC(=O)NC1 1848788756 UTEFVLAKJKBYMO-RTBURBONSA-N 402.491 1.564 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)CN1C(=O)C(=O)N(Cc3ccccc3Cl)C1=O)CC2 1851203912 MLYSWMOKXMZUJC-CQSZACIVSA-N 414.849 1.783 30 10 HDEE C[C@@H]1CC(=NC(=O)COc2ccc(-n3cnnn3)cc2)NN1c1ccc(Cl)cn1 1851735440 ZFMHDSYSXXKNPJ-GFCCVEGCSA-N 412.841 1.818 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)C[C@H]3OC(=O)c4ccccc43)CC2)nc1 1851875432 WTEMKCYGGKXTAH-LJQANCHMSA-N 406.442 1.920 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CN2CCN1CC2)c1cccc(C(F)(F)F)c1 1852702867 GPKUKHUHWXVAKG-HNNXBMFYSA-N 413.469 1.913 30 10 HDEE Cn1c(=O)ccn(C2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)c1=O 1853191384 XHSQBUHNGYEVLY-UHFFFAOYSA-N 412.837 1.197 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3=O)CC2)CC1 1853743570 OUWHBXZBSXLNSC-QUCCMNQESA-N 412.534 1.944 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1853882606 VESRDHAIEMEADG-LSDHHAIUSA-N 403.483 1.177 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C2CC3(CCOCC3)C2)C(=O)C12CCCC2 1854414158 NCLHPCAKZHAIQS-UHFFFAOYSA-N 409.508 1.030 30 10 HDEE CN(c1ccncn1)C1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1854472386 YNTWNXJDETYGDO-LJQANCHMSA-N 404.474 1.690 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3ccccn3)C2=O)CC1 1854744620 WVBLDAIZYWRTQX-LJQANCHMSA-N 404.474 1.692 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)[C@@H]3CCCS3)C2=O)CC1 1854831674 QARMSZILJVBXIX-ROUUACIJSA-N 413.547 1.879 30 10 HDEE C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCC2)C1=O 1856266267 GRLNVWVYHWADOB-GOEBONIOSA-N 401.488 1.887 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@@H](S(C)(=O)=O)C3)CCC2=O)cc1C#N 1856469605 FKKKPJSLFXXUQO-MAUKXSAKSA-N 403.504 1.364 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857056616 OHRVLZVRULJLNO-UYAOXDASSA-N 413.518 1.722 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncoc2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857068446 NXFFSHLODLALOU-JKSUJKDBSA-N 402.495 1.896 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)CSCc3ccccc3)C(=O)C2)C1 1857153063 HHGOCSSEGIFCNI-LJQANCHMSA-N 400.548 1.969 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(Cc3nnco3)c3ccccc32)CC1=O 1857318854 KVHDBPWWWJIQIX-LSDHHAIUSA-N 409.446 1.763 30 10 HDEE COc1cc(/C=C/C(=O)C(=O)NCCN2C(=O)CSC2=O)cc(OC)c1OC 1860732810 RPNULWLDBSGQLV-SNAWJCMRSA-N 408.432 1.106 30 10 HDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(OC)cc2)C1=O 1863325578 XVRFZCDSXCHYFG-UHFFFAOYSA-N 413.455 1.721 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871626657 ZRVUKHWYWXJZAH-UHFFFAOYSA-N 423.481 1.212 30 10 HDEE C=CCN1C[C@H](C(=O)N2Cc3cc(OC)c(OC)cc3C[C@@H]2C(=O)OC)CC1=O 1873025678 AFAWUNBHZLKCJS-HZPDHXFCSA-N 402.447 1.165 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(NN)ncc2Br)CCN1Cc1ccccc1 1914892984 URXICPYSRUHROQ-AWEZNQCLSA-N 415.295 1.980 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 2010406442 UUCQDNCYLNQVNK-AWEZNQCLSA-N 423.319 1.545 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2022807086 NOKRKILNFKOHDI-RWMBFGLXSA-N 405.289 1.251 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2118161829 DNZAEPUORQVVGA-INIZCTEOSA-N 416.459 1.269 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)N1CC[C@H](C#N)C1)C(F)(F)F 2118171249 VCPXEKXWHXWAEH-GHMZBOCLSA-N 400.423 1.369 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2cccc(F)c2C#N)s[nH]1 2187515697 NDMXMISBTZXACF-UHFFFAOYSA-N 413.456 1.796 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CC(CN2CCN(C(=O)OC(C)(C)C)CC2)C1 2236870897 XENOJSGCPUQRAJ-UHFFFAOYSA-N 400.545 1.350 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2243406424 YJCQTTSXLSMRNR-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 2247773940 QKMIHSPSCVQUNS-CYBMUJFWSA-N 424.303 1.503 30 10 HDEE CCc1nn(C)c(C(=O)N(CCN)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247830387 ZFCWWDMJIWQJLH-UHFFFAOYSA-N 412.343 1.883 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247915828 KHWHLJZIRBVOIG-CYBMUJFWSA-N 418.303 1.614 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258137990 DHVXUMQVNANBRW-INIZCTEOSA-N 403.416 1.680 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269029538 ICJFXCVEHWZFIP-MRVPVSSYSA-N 409.722 1.842 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]([C@@H](C)N)C1 2282315650 QOYXTKCSKMRRKF-YPMHNXCESA-N 400.375 1.714 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@H]1CO 2282321834 BXBXYYUIQIYKQQ-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@@H]1F 2282322107 GLAQSUJLLPRRKM-NWDGAFQWSA-N 405.322 1.713 30 10 HDEE CC[C@@H]1CNCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338546 RWARVQZRYMAURM-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCCS1 2282342097 CCHHPKQXLXAPKH-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCCC3CNC3)s2)OC1(C)C 2282345467 ZXXVXYWIRSTXST-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CCC(N)(CC)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282492185 NYKQBOBUXADNFS-UHFFFAOYSA-N 402.391 1.984 30 10 HDEE CN(C1CNC1)S(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282496200 XBAGBYVGHAIAHE-UHFFFAOYSA-N 421.155 1.885 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N=c2cc[nH]cc2Cl)OC1(C)C 2282497125 LWXSEAIZEYNARS-UHFFFAOYSA-N 415.733 1.855 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282502645 OEBRSRGYVFHBRM-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE C=C(CO)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282508626 YZAYUFRXOHHWEF-UHFFFAOYSA-N 401.721 1.856 30 10 HDEE CN(C1(CO)CC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828697 SZRBQIPBRMXZFI-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H](C(F)F)C2)OC1(C)C 2282845529 UWSRLPZKNJUAHT-SNVBAGLBSA-N 408.301 1.859 30 10 HDEE C[C@@H]1CN[C@H](C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282853665 HBLWBADFKYNRMC-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CC[C@H](CS(C)(=O)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858911 FKCWBUHJURCLSP-LLVKDONJSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](C(F)F)CC2=O)OC1(C)C 2282866281 GWFPMENTZOYEIF-SECBINFHSA-N 407.269 1.850 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2O[C@H]2CCN(S(C)(=O)=O)C2)OC1(C)C 2285598431 CWGJZWMIGKWYOI-LBPRGKRZSA-N 402.709 1.447 30 10 HDEE C[C@H](C#CC(=O)Nc1ncnc2[nH]nc(Br)c12)NC(=O)OC(C)(C)C 2318686168 TZAKQRYJMLACRA-MRVPVSSYSA-N 409.244 1.971 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2365196518 NAAMWPCGUAQWKU-KUHUBIRLSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367802774 DWPASEKLSCPSSC-LSDHHAIUSA-N 402.557 1.993 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367803858 NVVVVDIQPOFYTK-HRCADAONSA-N 400.541 1.556 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813924 HFBANHYVKHLRTE-IIDMSEBBSA-N 400.541 1.435 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cc(O)ccc1Br 2370334651 GEBMEOUDQYJTKA-UHFFFAOYSA-N 423.076 1.835 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OCC)ccc21 13794958 WUWWFBQCWFGLLR-DVSFIDLUSA-N 421.544 1.976 30 10 HDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(N/N=C/c3ccco3)n2N)c1 20527735 HHNYUCXGOBEYOA-DJKKODMXSA-N 414.451 1.720 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)c1 58997883 ZWEGZAMAILOIDZ-UFWORHAWSA-N 402.436 1.966 30 10 HDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#Cc1cccc(C(F)(F)F)c1 96352401 YOTZMAMUXLWQFK-UHFFFAOYSA-N 402.394 1.515 30 10 HDEE C=CCc1cccc(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)c1O 253574636 SWPVNGATZJEHKV-UDWIEESQSA-N 415.523 1.551 30 10 HDEE CC(C)(C)NC(=O)CN1CCC(CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 431897725 FPOHHRIBYRQCFI-UHFFFAOYSA-N 410.515 1.602 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 435175324 ARZRKBLGVFRZKQ-UHFFFAOYSA-N 416.507 1.954 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c1 446923640 APEBGQMYFVQSKR-CQSZACIVSA-N 402.398 1.918 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO1 461138750 GGHGQBKETJSHRY-HOTGVXAUSA-N 419.493 1.829 30 10 HDEE COC(C)(C)C[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466091715 JZIBHAKMEURRMX-OAHLLOKOSA-N 408.524 1.778 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)o1 471189134 UEDOGPRYMDJRFX-INIZCTEOSA-N 400.500 1.972 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)CC2)c1C#N 471682648 KTKDFHGWNMGDHS-IBGZPJMESA-N 422.489 1.680 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1 471928032 QCTDABQDDBMVIF-INIZCTEOSA-N 401.510 1.020 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cc1 474202360 AOVASEXQSAFLSL-UHFFFAOYSA-N 401.470 1.963 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cn2)CC1 488853913 MTQZJJXRRSMEBN-UHFFFAOYSA-N 403.483 1.713 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1C#N 489852321 ZXRCKMOHZPHOOR-MRXNPFEDSA-N 400.460 1.220 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 503625077 DZAIQKBPTOLMLH-HNNXBMFYSA-N 419.279 1.386 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nccc(OCC)n2)CC1 508947996 YVVYOUAWQCOFBX-UHFFFAOYSA-N 423.525 1.841 30 10 HDEE COc1ccc(-c2noc(=O)n2CCS(=O)(=O)c2cccc(C#N)c2)cc1OC 513818361 AUISDHHLPZHACS-UHFFFAOYSA-N 415.427 1.866 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 519790210 GBVIUJIYZXDIRM-INIZCTEOSA-N 401.492 1.288 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2OCC(F)(F)F)CC1 522317981 LUJFJHMQEQWBSK-UHFFFAOYSA-N 414.428 1.757 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 526937720 AYERVIIREUXNQN-UHFFFAOYSA-N 402.476 1.820 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)cc1 532816746 PFLOQIFPXURAGT-MRXNPFEDSA-N 420.535 1.152 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 534602877 CMCFEDINFPGNNM-QGZVFWFLSA-N 409.511 1.261 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 540006372 BXPIDCVCVCNBAY-HZPDHXFCSA-N 408.524 1.344 30 10 HDEE C=CCN(C(=O)N=c1nc(-c2cccc(OC)c2)[nH]s1)[C@@H]1CCS(=O)(=O)C1 544590657 NEZOJUMUQYANJO-CYBMUJFWSA-N 408.505 1.843 30 10 HDEE CN(C)S(=O)(=O)N(C)CCc1noc(-c2cnc(C(F)(F)F)c(C#N)c2)n1 556311410 SNVHFSOQBRNWHW-UHFFFAOYSA-N 404.374 1.303 30 10 HDEE N#Cc1cc2c(nc1N1CC(Cn3nc(-c4cccnc4)ccc3=O)C1)CCOC2 585605861 JQYIDHDIPLDUII-UHFFFAOYSA-N 400.442 1.781 30 10 HDEE CC(C)N1CCC(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)CC1 586860773 QIDBERDTHNFKOA-UHFFFAOYSA-N 415.513 1.331 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](/C=C/c3ccc([N+](=O)[O-])o3)N2N1 588227018 FTPSXGYHAMNYSW-HEWZJLJBSA-N 409.427 1.591 30 10 HDEE C=CCn1c(SC[C@H](O)CN2CCOCC2)nnc1[C@H]1COc2ccccc2O1 588635966 OONFXKJRAHTUPE-CRAIPNDOSA-N 418.519 1.762 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccccc2)c1=O 603800122 VGDVBHVIPBILMY-UHFFFAOYSA-N 401.491 1.989 30 10 HDEE N#Cc1ccc(OC[C@H](O)CS(=O)(=O)Cc2noc(Cc3ccccc3)n2)cc1 609468842 SVGJCDWSGHTXGL-KRWDZBQOSA-N 413.455 1.887 30 10 HDEE C=CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 679474023 CGMUTEMOVXLLSN-HZPDHXFCSA-N 416.565 1.834 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C1=O 684987192 BPKAQVYHBCAKRQ-SECBINFHSA-N 410.343 1.691 30 10 HDEE CS(=O)(=O)CC1(COc2c(N)cc(C#N)cc2I)CC1 692812200 KBPZSLUVQJPIHI-UHFFFAOYSA-N 406.245 1.949 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 728954036 HBDISVKVWSIYCZ-QGZVFWFLSA-N 413.522 1.863 30 10 HDEE COC[C@H](C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143163 RJMQVIUKJJBIJN-NVXWUHKLSA-N 406.552 1.969 30 10 HDEE C#CCNC(=O)COC(=O)[C@H]1CSCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1 730305404 ZQHMMQDQQBSCCK-OAHLLOKOSA-N 424.906 1.692 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 738172013 VAJQNJRVELEWIO-NRFANRHFSA-N 424.549 1.382 30 10 HDEE COC(=O)[C@H](OC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(C#N)cc1 740211887 DPDOQKNTGASWIQ-GOSISDBHSA-N 407.382 1.681 30 10 HDEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746238147 WAFRQSXOJGAOKE-VHEBQXMUSA-N 407.373 1.383 30 10 HDEE C#CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 757174271 YEGZRCZFZDXTTH-UHFFFAOYSA-N 420.531 1.663 30 10 HDEE N#C[C@H](C(=O)/C=C/c1ccc2ccc(Cl)cc2n1)C(=O)N1CCS(=O)(=O)CC1 759333928 QRTMHFMNGYWLEZ-SQRWCISFSA-N 417.874 1.867 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)O)Cc2ccc(F)c(F)c2)cc1 762089373 YZEKRKWDHSMJHS-UHFFFAOYSA-N 422.409 1.603 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 774971067 FVRXIEVFLQJXOL-OAHLLOKOSA-N 410.492 1.699 30 10 HDEE C#CCN(C(=O)NC[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 779671396 XOSGINVDTPDDLC-CTNGQTDRSA-N 403.548 1.873 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OCC2(C#N)CCOCC2)C1 780540647 KKTNDCBAXMPYQJ-OAHLLOKOSA-N 411.480 1.556 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 783014211 TUMNFAGUUSUQGZ-UHFFFAOYSA-N 420.579 1.619 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)n1 802588003 KFUVFSJWNKGLDH-CYBMUJFWSA-N 409.780 1.828 30 10 HDEE CCOC(=O)c1cnc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1C 807377058 BHSQLPOXRSUXTQ-LLVKDONJSA-N 419.463 1.053 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C#N 813679956 GWCPIUZCLOAMRW-OAHLLOKOSA-N 409.512 1.091 30 10 HDEE C=CC[C@@]1(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 816814273 MOLOSDZDDCOYBJ-KXBFYZLASA-N 415.556 1.825 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@H](Cc3ccc(F)cc3)C(N)=O)NC[C@@H]2C1 849086619 GLYNUJVESXXHNE-DOTOQJQBSA-N 419.501 1.350 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCCO3)c(=O)n1-c1ccc(F)cc1 917777652 BUXSBKSZGIXTSI-UHFFFAOYSA-N 405.410 1.836 30 10 HDEE CC(C)CN(C(=O)CON=C(N)c1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 918185488 PUCCMZJQLHZMHS-KRWDZBQOSA-N 410.540 1.061 30 10 HDEE CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CO1 1124724228 MNDAXEBBDWHDAG-KGLIPLIRSA-N 419.482 1.583 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@@H](CC(N)=O)C2CCOCC2)cc1Br 1126710816 ACXOTOXAHCMBOL-HNNXBMFYSA-N 410.268 1.486 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1131243324 ZIFZVDSQBRVIFI-OXQOHEQNSA-N 405.462 1.794 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1142655702 SLMJARYSTJHUSO-RDJZCZTQSA-N 424.519 1.614 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3[nH]c4ccccc4c3C#N)CC2)CC1 1144085515 YILADQZUCNXTEH-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 1147254601 HUJMTFTUCRPQBD-YEWWUXTCSA-N 419.576 1.994 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 1151151621 PRAYZQRZFIQVSV-KGLIPLIRSA-N 405.499 1.782 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1151285251 UBGXJCDEFRLSJM-UHFFFAOYSA-N 424.397 1.441 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC(O)(COCCO)CC3)CC2)c(F)c1 1155857720 LKMLJWNFEQSBMK-UHFFFAOYSA-N 405.470 1.276 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)n1 1157492546 AKDCYQKEKCDTID-UHFFFAOYSA-N 405.288 1.916 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)OC(C)(C)C 1159764647 VZDZJWFVMYNJSI-MJGOQNOKSA-N 412.490 1.478 30 10 HDEE CS(C)(=O)=NC(=O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1162644840 AOUQCPPGCTZFRM-UHFFFAOYSA-N 413.297 1.127 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)C1 1163652359 PWSNAORJOUXHCI-HKUYNNGSSA-N 404.536 1.657 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)C1 1188569401 IYKHFUUJAKDQLK-VIFPVBQESA-N 407.261 1.653 30 10 HDEE C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1195567597 NHBRIDNNIKWHSV-SJORKVTESA-N 405.520 1.380 30 10 HDEE C=C(C)[C@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)c1ccc(F)c(F)c1 1234554712 DHADWYMYOPWNIJ-INIZCTEOSA-N 402.467 1.810 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(n3ncc(C(=O)OCC)c3C)CC2)C1 1248676729 QQVNCQIVCZKXKN-KRWDZBQOSA-N 401.511 1.812 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286294389 WGNWMVJMXZIRFV-WMLDXEAASA-N 415.519 1.280 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1286364459 CITLMSCHDBDBPC-UHFFFAOYSA-N 409.450 1.185 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)CN1CCCC1 1286369098 CJKMVPIAMVXWPI-KRWDZBQOSA-N 419.533 1.993 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286372783 FBOXWPYTODHLLH-MRXNPFEDSA-N 421.954 1.873 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286483320 GQZAFQJTUGWTRE-ZWKOTPCHSA-N 401.536 1.226 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC=C)CC1 1286490561 NBKHNEZQVYXLLH-INIZCTEOSA-N 416.551 1.114 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1286607072 AYTWXXYGFPXAMU-INIZCTEOSA-N 415.560 1.296 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286710537 ZQFIKCYOIDMHLL-DLBZAZTESA-N 416.526 1.413 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@H](COC(C)C)C1 1286788641 ANVWCVICVYMKHI-SFHVURJKSA-N 414.510 1.196 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCS(=O)CC2)cc1 1286794477 IBLFEDQRDCLJGY-UHFFFAOYSA-N 410.503 1.917 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1288193011 FFAXFEAYKLNHCU-KRWDZBQOSA-N 423.477 1.372 30 10 HDEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1290256611 KFQHNVHQLGZZBY-UHFFFAOYSA-N 400.508 1.865 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)nc1 1295210903 HMCHYLAHKWVPKK-FPQWYMTMSA-N 408.462 1.189 30 10 HDEE CCSc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccn1 1297838962 DRSFUERLEFFLKX-LSDHHAIUSA-N 413.507 1.513 30 10 HDEE C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1298660342 LZUIOHCXOZWMKG-MAUKXSAKSA-N 417.510 1.466 30 10 HDEE CC(C)(CC#N)CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1299139752 IPVKIFPDAUARKQ-INIZCTEOSA-N 409.508 1.772 30 10 HDEE CC(C)(CO)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccnc1 1299954645 GWACHGROAOFIBW-IBGZPJMESA-N 401.488 1.744 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1300411325 SAZWTHRKWRVIMK-MSOLQXFVSA-N 421.567 1.793 30 10 HDEE C#CCCCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1300424362 FHZYTNGCHZJNCG-GHTZIAJQSA-N 414.510 1.655 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NC[C@@]2(OCCO)CCOC2)cc1C 1300571133 TYDMXMFEGMEGJU-QFIPXVFZSA-N 412.490 1.978 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cc(C)cc(C)c2)CC1 1300682854 SKVZGPDTVQWUCY-UHFFFAOYSA-N 424.549 1.867 30 10 HDEE C#CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300776272 GRVUCXKYGGDNIB-OXQOHEQNSA-N 422.551 1.684 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1300889462 QMZHVZMFNGDVSC-GGPKGHCWSA-N 405.543 1.799 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1301454281 RGCGCYAONRNZJT-LBPRGKRZSA-N 402.484 1.122 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnn(C)c1C 1302287439 VEYWFGAFQWZYEY-URLQWDBASA-N 403.462 1.534 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(F)c2C)CC1 1302924480 MLJDNFRZFAZAMO-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1309869916 IOCYQJKBUONLQS-UHFFFAOYSA-N 417.572 1.966 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 1312054037 BDKHOGQSRVHAGP-UHFFFAOYSA-N 410.927 1.166 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCOC2)CCO1 1315006448 DNVZUYIDFUTOJX-AEFFLSMTSA-N 410.478 1.195 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOc2ncccc2Cl)CCO1 1316540597 MKJHGNXSBGIEKU-DZGCQCFKSA-N 404.858 1.986 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1358948122 UQENCYSQHNKLQC-MRXNPFEDSA-N 418.542 1.987 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1358962194 MASYNSYTPHBACW-OAGGEKHMSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1358974411 CYZOANZMSOGVHX-SFHVURJKSA-N 421.501 1.510 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nc2c(s1)CCCC2 1358977506 NQJYJUVIOGXACF-MRXNPFEDSA-N 408.531 1.880 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359142073 AIGMKDRSUKLPFI-STQMWFEESA-N 413.935 1.368 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCNC(=O)[C@@H]1CC 1359183498 MSDQHEOVGLWPFD-KBPBESRZSA-N 412.560 1.205 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(C=C)CC2)nnc1[C@@]1(OCC)CCOC1 1359335808 VNMRJBCFYUMLAI-HXUWFJFHSA-N 424.567 1.933 30 10 HDEE CC(C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359707501 VCXOKVINUHEMPJ-HMWBCQRISA-N 415.498 1.020 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2c(F)cc(C#N)cc2Br)C1=O 1437997280 IFSWQLGPEHCEAM-UHFFFAOYSA-N 410.155 1.342 30 10 HDEE CS(=O)(=O)c1nc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c2ccccn12 1439744124 PDRDWKFDXHXHNB-QGZVFWFLSA-N 410.455 1.823 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)ccc1F 1439952121 ULFKSZMUDJTDOE-UHFFFAOYSA-N 422.467 1.794 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nnc3ccc(Cl)cn23)cc1 1453828152 MNBKBPGITKJTLP-UHFFFAOYSA-N 403.851 1.224 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CC[C@@H](O)[C@@H](O)C1 1456409849 IYAYZNMAPBKAHS-YUTCNCBUSA-N 413.268 1.489 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)[C@@](N)(c1cccc(F)c1)C(F)(F)F 1457935680 KFFUDBKVKRTHCE-ZDUSSCGKSA-N 405.270 1.611 30 10 HDEE CSc1ccc(CNC(=O)CN(C)C2=NS(=O)(=O)c3ccccc32)cc1C#N 1462749968 MVNBWRRDYIAAJU-UHFFFAOYSA-N 414.512 1.977 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1 1464041030 GIRBNAONRYQTDB-UHFFFAOYSA-N 412.468 1.680 30 10 HDEE N#Cc1c(CCCNC(=O)C2CC3(C2)CS(=O)(=O)C3)nn(-c2ccccc2)c1N 1464064229 FGJSQEPGCUXKDO-UHFFFAOYSA-N 413.503 1.200 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1464404588 JELJBHZCASXQCY-RDJZCZTQSA-N 417.510 1.466 30 10 HDEE C=CCCC[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)c1ccccc1 1466907171 XSMFVVOJOONZML-GOSISDBHSA-N 411.506 1.615 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C2 1469462467 UIYCSRDNGQOLRO-UHFFFAOYSA-N 417.512 1.921 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(c2cnc3ccccc3n2)C1 1471662924 FCZUNPOVSABSRD-CQSZACIVSA-N 421.482 1.794 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]3CCNC(=O)[C@@H]32)CC1 1473745533 SJFXJHNSINTWND-FRQCXROJSA-N 401.536 1.057 30 10 HDEE COC(=O)c1ccc(Br)cc1S(=O)(=O)NCC1(C#N)CCOCC1 1475778861 GOGLUZUFUJIZLI-UHFFFAOYSA-N 417.281 1.834 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O 1478294461 GQTRKZDYUQAZNN-WOJBJXKFSA-N 407.474 1.819 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](OC)C1CC1 1503108702 JZMBTHXWOJDQQX-SFHVURJKSA-N 411.510 1.833 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1503279487 GYMJTYHATAIEMC-RHSMWYFYSA-N 414.507 1.291 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1507532920 HMIDNGQCLVDRPP-SOUVJXGZSA-N 410.469 1.043 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1507611704 OYDKRGYTPGPRII-MRXNPFEDSA-N 422.489 1.721 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc2c(c1)OCO2 1507636806 DOYUISVUJMYLQR-UHFFFAOYSA-N 409.446 1.297 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC(F)(F)CO1 1507657653 VRAQPBAQAJGLHL-AWEZNQCLSA-N 419.457 1.767 30 10 HDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507783652 DNHQNOLCQLWALJ-ZDUSSCGKSA-N 420.377 1.903 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507874948 YFEHEMJXLPYYFL-UAGQMJEPSA-N 406.918 1.931 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1508032781 HQQSSXAUTBLTIX-KRWDZBQOSA-N 415.494 1.469 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCC2CC2)C1 1508084092 HRKYTLJRRAVVHQ-LJQANCHMSA-N 410.522 1.962 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccn2C(F)F)C1 1508129851 FQCLZMJLLDRULQ-AWEZNQCLSA-N 421.452 1.822 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1508416460 FUTORIJJESEKIV-GFCCVEGCSA-N 415.479 1.234 30 10 HDEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510024361 MMJQGQRUVBMHCR-CQSZACIVSA-N 406.494 1.769 30 10 HDEE CN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCCC1 1517051773 RNKSSRWSKZMDFK-ZZEZOPTASA-N 424.509 1.974 30 10 HDEE COCCN(C(=O)c1cccc(C#N)c1Br)[C@@H]1CCS(=O)(=O)C1 1523594327 OYVGLSGEMYVLSA-GFCCVEGCSA-N 401.282 1.596 30 10 HDEE C=CCc1cc(CNC(=O)c2nc(S(C)(=O)=O)ncc2C)cc(OC)c1OC 1527043110 WJEAEWQADQTTRX-UHFFFAOYSA-N 405.476 1.864 30 10 HDEE Cc1nn(C)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 1531924501 AAFRCNPYVUUXIV-UHFFFAOYSA-N 407.427 1.013 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CCCCN(C)C)CC1 1536642178 VBBFAEIDQOCPRH-JRHPMUGDSA-N 401.551 1.595 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)nn1 1536910293 IURRZKNQZYJMDG-OAGGEKHMSA-N 405.524 1.377 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)nn1 1536910294 IURRZKNQZYJMDG-OWCLPIDISA-N 405.524 1.377 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c1C 1538308325 AFSQCJYKPSJTEU-GUXCAODWSA-N 401.488 1.053 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CCC1 1538421913 LIQLJURXMHYNGE-UHFFFAOYSA-N 422.503 1.401 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3COc4ccc(Br)cc43)C[C@H]1CS(=O)(=O)C2 1538540613 ZUAWENDSHOGNKJ-NKFCBESUSA-N 411.277 1.322 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1538975363 ZUWZJVXULZCDBI-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1539221929 SQCGSGOMSKEBPO-HUUCEWRRSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCCCCC1 1539260237 LZEBOFORLOCMOX-UHFFFAOYSA-N 408.506 1.955 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CN(C2CC2)C1=O 1539272253 WGTFMNRFDPIWNL-DEOSSOPVSA-N 417.513 1.961 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CC(C)C)C(=O)C1 1539519067 APFDKSLVBBKEQG-UHFFFAOYSA-N 412.563 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1C[C@@H](OCC)C12CCC2 1540869005 ZBAKVTQHUKAOGN-IAGOWNOFSA-N 411.510 1.821 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1540872103 CNYYQHPNTXSIEP-RDJZCZTQSA-N 417.485 1.550 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS[C@H](C)C1 1540873419 XDIWISOARPESEY-OAHLLOKOSA-N 411.535 1.761 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CCC2)CC1 1540873726 HVVJAOMFPMOASV-UHFFFAOYSA-N 424.549 1.876 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1540907607 CIPSUCKVGVFIDF-AWEZNQCLSA-N 415.585 1.303 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCOC2)CCO1 1541073867 FBUHXRQHICXLJS-UYAOXDASSA-N 424.505 1.585 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1541878532 CZNQVOOXFQVADN-PXNSSMCTSA-N 421.505 1.514 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2sccc2CC#N)ccc1OC 1543596037 SHJZETLHFFNRHK-UHFFFAOYSA-N 409.489 2.000 30 10 HDEE CCn1cnnc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1547632661 QZZSNEFEXVBRRW-QGZVFWFLSA-N 401.475 1.736 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)CC1 1555991592 XBEJCTPKGFVQOR-UHFFFAOYSA-N 415.542 1.366 30 10 HDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1cnccn1 1557300831 AGPMQTJAIRLTCJ-CQSZACIVSA-N 401.492 1.953 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)ccc1F 1557564960 CKYXVCHNMSWCSB-AWEZNQCLSA-N 409.483 1.375 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1558047060 GCPVTHVNWXZVKR-KRWDZBQOSA-N 410.474 1.540 30 10 HDEE N#Cc1ccc(CC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1559341446 QONXMPAQIFSWNG-UHFFFAOYSA-N 417.512 1.878 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)CC1 1561866512 LGWOOVAFIFNHJD-UHFFFAOYSA-N 414.549 1.055 30 10 HDEE CN(C)CCC[C@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1564547642 STOPIPFDYVFOHN-PMACEKPBSA-N 413.522 1.806 30 10 HDEE N#CC1(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCOCC1 1565044565 PDVDRLXGRXHGIM-UHFFFAOYSA-N 406.508 1.041 30 10 HDEE CCCN1C[C@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1566186367 DOEHZHWUCZSOMT-MRXNPFEDSA-N 408.506 1.942 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)C1=O 1568184105 IDMVLTZWLODJDT-LJQANCHMSA-N 404.486 1.429 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O 1585550403 FXLLPVUBIOFKGD-YOEHRIQHSA-N 401.463 1.901 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H]2CCC(=O)N(C)C2=O)nnc1-c1ccco1 1585615938 VQZVRPWBFHBERK-LBPRGKRZSA-N 403.464 1.470 30 10 HDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1586325974 HXUPDJURNUKOEW-UHFFFAOYSA-N 404.474 1.526 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(Cl)cn1 1587910177 IBRKNLJPSMJKAD-UHFFFAOYSA-N 405.867 1.368 30 10 HDEE C#CCN(c1nnc(C)n1Cc1c(Cl)cccc1OC)[C@@H]1CCS(=O)(=O)C1 1588035661 WOCXZXBLWGBSIC-CQSZACIVSA-N 408.911 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCO[C@H]1C 1588093343 KGSPEJHGQGCZBP-GAJHUEQPSA-N 416.485 1.948 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589060210 OOSNVAPNECJLPU-LPHOPBHVSA-N 424.592 1.901 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594497246 DESJBFMTWZOGDJ-JKSUJKDBSA-N 416.526 1.269 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1594733874 ZHXBVNXKSLCBBQ-LPHOPBHVSA-N 422.555 1.707 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccn1 1595302954 IKQTZPNFZBVGPN-MRXNPFEDSA-N 405.524 1.457 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1595555920 KPJJDKMWQULGIL-UHFFFAOYSA-N 424.549 1.814 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCC2)C1 1595723256 UDDNYOUCJQZNOY-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1595761315 ZSDHMLDVXMRIFH-IBGZPJMESA-N 422.555 1.488 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCN(C)C 1596831388 MUNAWUBNMUPRSK-LPHOPBHVSA-N 414.510 1.965 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)o1 1612031281 ICYLXLZXKODQKL-KDOFPFPSSA-N 422.486 1.570 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1617203717 IMSSRMNIPXSBQE-OAQYLSRUSA-N 413.478 1.761 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1617214119 MFWIGAUMRYAWOE-UHFFFAOYSA-N 421.509 1.152 30 10 HDEE CCCCCN(C(=O)CN1CC(C)(C#N)C1)c1c(O)nc(=O)n(CCCC)c1N 1617627393 BQQWQYLLQSFZOT-UHFFFAOYSA-N 404.515 1.700 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)OCC 1624302867 ANJKFWOZZRPGCW-YESZJQIVSA-N 408.495 1.983 30 10 HDEE N#Cc1cn(CCC(=O)N2CCOc3cccc(Br)c3C2)c(=O)nc1O 1627679533 XAWIYJPIUQAEAV-UHFFFAOYSA-N 419.235 1.394 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1628350982 UGMDEUWOWAWAEX-QZTJIDSGSA-N 419.547 1.266 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nn2cc(Br)cn2)s1 1632409880 XYRRDZVXQYRJSB-UHFFFAOYSA-N 405.299 1.484 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(C)(C)c2cccc(Cl)c2F)CC1 1632960874 OMUCHXKNLAVHNQ-UHFFFAOYSA-N 401.891 1.369 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)nc1 1633498813 PARGIPWGILRZEI-UONOGXRCSA-N 401.410 1.882 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](CC(F)(F)F)O1 1633617170 OYMJPYFYEASSAO-VXGBXAGGSA-N 419.425 1.684 30 10 HDEE C=CC(C)(C)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1635384536 YMMRXPNAKOEEFD-UHFFFAOYSA-N 421.563 1.937 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)n[nH]2)c1C 1636349624 QUMRGAIFQWBZAZ-GOOCMWNKSA-N 403.508 1.914 30 10 HDEE COc1c(Br)ccc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512423 GEBABTUQTRHCTD-MEDUHNTESA-N 413.293 1.777 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1636958649 CMUICKFDIDKFJY-GOSISDBHSA-N 420.477 1.433 30 10 HDEE N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c(F)c1 1637881379 HATMEMSLMKMBLY-UHFFFAOYSA-N 405.407 1.676 30 10 HDEE Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1638949193 OHDFSOBXRGWKJI-BLLLJJGKSA-N 406.439 1.507 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)N(C)C(C)C)c1cc[nH]n1 1639287926 WKEDDMXRVQFPRM-UHFFFAOYSA-N 415.450 1.813 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(n2cccn2)CC1 1639550132 MALNTKWRCLZPSU-INIZCTEOSA-N 415.519 1.642 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)CC1 1640727534 NOMWKAWOCHKGKJ-CVEARBPZSA-N 414.462 1.472 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 1640916853 WWPAOYFHRVEVPE-TZMCWYRMSA-N 408.455 1.415 30 10 HDEE C#CCN(CC(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21)C(=O)OC(C)(C)C 1642975372 YMTUKAJQDXMLJG-UHFFFAOYSA-N 421.519 1.696 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1644587584 NYFHOSBBHLTOAN-PKOBYXMFSA-N 421.453 1.874 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@@H]4COCC[C@@H]43)C2)C1 1647779693 RBMCDFGEGBTHDM-DSESUSJESA-N 405.495 1.790 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)N(O)Cc2cc(Cl)cc(Cl)c2)cn1C 1649025879 FOVXSEOXZJDZCM-UHFFFAOYSA-N 407.279 1.732 30 10 HDEE COc1ccc2ncc(C#N)c(OCC(=O)NC[C@@H]3CN(CC(C)C)CCO3)c2c1 1652072167 GCAIOAJJSMTYNE-GOSISDBHSA-N 412.490 1.967 30 10 HDEE CC(C)N(CCS(C)(=O)=O)S(=O)(=O)c1cc(Br)ccc1C#N 1654651629 BMAAWXJQQBLXNS-UHFFFAOYSA-N 409.327 1.764 30 10 HDEE C#C[C@H]1CCCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)C1 1654677813 DXMMJSAGTMPJOK-HNNXBMFYSA-N 402.520 1.898 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1654894676 GGLMNGVIQFJXCP-QAPCUYQASA-N 403.552 1.351 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CC[C@@H](CNS(C)(=O)=O)C2)c1 1655527687 ONIXAZKUQOPHOW-MSOLQXFVSA-N 406.552 1.810 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cnn2cc(Br)cnc12 1663024103 SASACDPYCVDNDZ-UHFFFAOYSA-N 402.318 1.620 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1663697303 RRRSPOLDKHOUIW-UHFFFAOYSA-N 400.547 1.210 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OC 1664237767 OPZYLEDYLWWHGO-SGANQWHYSA-N 403.526 1.722 30 10 HDEE C#CC1(O)CN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(C)cc2)C1 1666566175 IENAQMKVOZNTES-FCHUYYIVSA-N 410.539 1.973 30 10 HDEE C=C(Br)CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1667751955 FYBBAQYGTZSPJG-UHFFFAOYSA-N 417.329 1.257 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1668264559 ATUUOEJQGMVZBL-QGZVFWFLSA-N 405.524 1.531 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1673710592 BWDPGZSGLMWKJP-ARFHVFGLSA-N 413.540 1.512 30 10 HDEE C=CCN(C(=O)Nc1ccc2cnn(CC(=O)OC)c2c1)[C@H]1CCS(=O)(=O)C1 1674668024 UXOCOFMRAJJXMU-HNNXBMFYSA-N 406.464 1.416 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1675134419 QTVZVDOUGRIQMQ-WBKMXMRLSA-N 416.547 1.334 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n(C)c1C 1682227405 SIURHOYMEIZOCH-IBGZPJMESA-N 423.473 1.592 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1684721601 BZSVDOFOUGHXJL-UHFFFAOYSA-N 421.523 1.210 30 10 HDEE CNC(=O)[C@@H](CNC(=O)NCCn1cnc(C#N)n1)Cc1ccc(C(F)(F)F)cc1 1686407919 NLIOLDHGXIHESC-CYBMUJFWSA-N 423.399 1.073 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1689855471 WGZCJEUCZZQKLO-HNNXBMFYSA-N 407.515 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N(C)C)Cc2ccccc2C1 1689860867 JHKYSBDJRIQJHT-SFHVURJKSA-N 420.561 1.958 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689964843 ZIMNZKLAGIELML-OAHLLOKOSA-N 405.499 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCC(=O)N(C)C 1690050804 BBCDTAXOUWYVBA-UHFFFAOYSA-N 417.517 1.848 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)COC)CC1 1690148649 NXTGVHJHTATMTI-QGZVFWFLSA-N 410.522 1.512 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690175225 SBWCNYYCYQVCEY-IAGOWNOFSA-N 403.552 1.740 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1690188978 ROWCJDLGTHXZCC-MAODMQOUSA-N 401.511 1.747 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690228695 CYCYMFUPDKQITF-KGLIPLIRSA-N 414.304 1.032 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1690238532 KOQSWUGZAWFUMP-VGWMRTNUSA-N 413.544 1.095 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCCO)C1CC1 1690245791 MZVAEKUACDYWNN-WDYCEAGBSA-N 403.527 1.952 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1690343661 ACEHBPBEGNIETH-CQSZACIVSA-N 423.905 1.386 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1690527807 UAKXDIWLWITKQE-DNVCBOLYSA-N 408.524 1.920 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C)C1 1690725139 GXBGTXDYEHNXRP-HNNXBMFYSA-N 408.499 1.834 30 10 HDEE CC(C)NC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692554253 SNEDFJCJGQUOEB-AEFFLSMTSA-N 415.542 1.263 30 10 HDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@H](C)CC#N)n1CC1(O)CC1 1692912706 UJVAVXXRKIDNHV-CYBMUJFWSA-N 417.539 1.810 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CO)CC2)C1 1696196456 GKPZFDXVPROFNN-UHFFFAOYSA-N 411.506 1.955 30 10 HDEE CCOC1CC(O)(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)C1 1696203841 GDSTUNJEDPQVQD-ZUIJCZDSSA-N 413.482 1.594 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCCn2cc(CO)nn2)cc1 1697354296 BTBKFFMXAMJWFY-UHFFFAOYSA-N 422.493 1.868 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1705500506 OPNDEPYFKMESAT-INIZCTEOSA-N 404.478 1.487 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC(N)=O)C1 1705522931 OVPLQJTWAHBYKQ-LNLFQRSKSA-N 403.527 1.897 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1705523552 ZTSPOPNUGAJFSE-HKUYNNGSSA-N 403.527 1.911 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1705546131 BKNNBMPEFDZCTH-LJQANCHMSA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1705568502 OSJOOXMUCFRFML-YESZJQIVSA-N 410.540 1.256 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)Oc2ccccc2)CC1 1705638098 YAIDHMYAKKDARL-SFHVURJKSA-N 405.506 1.901 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705655865 NOHQWQBWXSOWIC-CQSZACIVSA-N 417.926 1.574 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705658444 PXRKCBOCQZURLV-AEFFLSMTSA-N 413.551 1.258 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705819078 CPMNUPVZZUSPFT-DLBZAZTESA-N 409.556 1.499 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1705834949 WRQKHCYEGRCVRF-CYBMUJFWSA-N 422.511 1.737 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1OCCC1(C)C 1705843675 LEEQNGUNICWYKK-HUUCEWRRSA-N 413.544 1.048 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC(F)F 1706870038 UXBGZTYNFIWZFS-GFCCVEGCSA-N 420.486 1.648 30 10 HDEE COCCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712393291 GJMNBFCOMTYZGU-UHFFFAOYSA-N 405.466 1.365 30 10 HDEE COCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712394767 JVBRNGJXEGDHBN-HZPDHXFCSA-N 412.498 1.195 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1722373918 OIDARFJUUOVTTB-LEWJYISDSA-N 402.495 1.197 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1-n1cccn1 1722429479 RPTSTTYNAGUWBR-IBGZPJMESA-N 421.505 1.887 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCc2cccc(C(N)=O)c2)CC1 1722438413 RHXLWRLCPKYWNF-UHFFFAOYSA-N 403.490 1.370 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccn(CC)c2=O)CC1 1722441225 OBVCPWHMZZPWDT-UHFFFAOYSA-N 424.549 1.771 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1722535039 WZTMRKJSVVQTHG-MRXNPFEDSA-N 420.539 1.731 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1722615461 QTEQKUZHLAMAHK-BZSNNMDCSA-N 402.543 1.742 30 10 HDEE C=CCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691005 ODEXBFANPLKVHI-OAQYLSRUSA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1722697431 JQLMMMANTILSBJ-YPMHNXCESA-N 413.404 1.137 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1722698797 MKIPFHWQZGDMDE-HNNXBMFYSA-N 403.458 1.868 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722699028 QNOFOHNUFVHXOG-IAGOWNOFSA-N 413.526 1.592 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)C)C1 1722729855 ZANBIJXPGBCJQT-GOSISDBHSA-N 419.551 1.726 30 10 HDEE CN(c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1729366921 MFMZSWNJYIKPDJ-IAFNSTAXSA-N 402.524 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1740606098 PXVATRAZPTVNFQ-UHFFFAOYSA-N 412.313 1.326 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(Cc2ccccc2)c1 1740610405 ZLYOZOREIAOJMK-IBGZPJMESA-N 424.530 1.543 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740663308 FZJWQIPDHBPUHN-YLJYHZDGSA-N 424.567 1.603 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740667099 PVKRJYLOXULBQZ-IBGZPJMESA-N 411.554 1.686 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1740686661 VUFQCYFDRAONMA-OXQOHEQNSA-N 424.567 1.207 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCOC1 1740686702 WQOOMIJROMQUDW-GHTZIAJQSA-N 414.462 1.028 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1740714165 SERLARVMGBUGQF-FQEVSTJZSA-N 413.503 1.742 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O 1740767692 YVUFSMVBOBUAEQ-OAHLLOKOSA-N 422.555 1.521 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1740783477 JEPIZIYCQLFVOV-DLBZAZTESA-N 418.542 1.344 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2cccn2)CC1 1740832282 BIZPSBZEXATYDR-HNNXBMFYSA-N 407.544 1.578 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740835683 JNCNUMXNNOCBEA-XLIONFOSSA-N 424.567 1.767 30 10 HDEE C=CC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740854176 DLQRLTNZYIRAFC-MSOLQXFVSA-N 408.506 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](OCCOC)C1 1740955060 WEKBYZLTXIHXCL-INIZCTEOSA-N 403.483 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(CC)C1 1740986466 YPMQDLSVYCKDOU-IBGZPJMESA-N 409.556 1.741 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@H]1CCOC1 1741123729 ITFLGOOEIOKHPZ-CVEARBPZSA-N 413.482 1.717 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC(C)(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1748805786 WFNXGTXLNASMLJ-QGZVFWFLSA-N 417.535 1.834 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748811384 FRQQAMHCRYARIH-CVEARBPZSA-N 418.523 1.177 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748823751 BBIKUUOMWAIAJG-HUUCEWRRSA-N 416.494 1.877 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)COC 1748847305 REJWQWRHJVWHPJ-GOSISDBHSA-N 407.522 1.807 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1749010177 OSBSZFICMMJNGY-QRQLOZEOSA-N 415.538 1.299 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 1749019972 HHODUHTXCRDLOV-OAHLLOKOSA-N 400.508 1.765 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(O)CCO[C@H]2C)CC1 1749312341 JLAWJBNAUPETSR-MGPUTAFESA-N 417.535 1.966 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1749576690 TUZBXAKKNDVBSV-UHFFFAOYSA-N 417.535 1.382 30 10 HDEE C=CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749598457 YPTNXAYNNCCBMF-ROUUACIJSA-N 423.583 1.999 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749627083 BMWJSIWZPJWMRO-SXLOBPIMSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749671206 ZQGDBDVYWADDRN-ZWKOTPCHSA-N 413.526 1.739 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1760124646 UJJZHDOEFDJAHM-CQSZACIVSA-N 409.487 1.346 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H]1CC[C@H](CO)O1 1760200919 XHSUYGDHYZRQSZ-LEWJYISDSA-N 416.485 1.744 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760327305 FXIAOFFQUGUWGE-YZLZLFLDSA-N 403.527 1.853 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@H]1CC 1760358936 CEUCPBNMYFMDSB-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760421539 RYKLTXRWTWIXMW-UHFFFAOYSA-N 414.514 1.359 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760556015 SHFKLJRPBCWRQP-WBVHZDCISA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1C(C)(C)C 1760558445 PCWONWNQEMUDIJ-KGLIPLIRSA-N 420.601 1.434 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC(=O)N1C 1763089296 IYVDYQXRYWCVOD-ZDUSSCGKSA-N 404.421 1.765 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCO[C@H]1CCOC1 1770202308 ORQWBZKTIAQVID-OGNFBWPZSA-N 423.489 1.640 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@@H]1C 1771113069 HWFIXMXLYVXODC-IRXDYDNUSA-N 404.515 1.440 30 10 HDEE N#C[C@H]1CN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2-c2ccncc2)CCO1 1848461881 LWCAYCMLPAWOOA-INIZCTEOSA-N 418.413 1.465 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN(S(=O)(=O)c3ccc(F)cc3)C1)CC2 1848744785 PCKBMNHWUGOMDC-ZDUSSCGKSA-N 417.466 1.406 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N(CCC#N)c1cccc(Br)c1 1849910556 ZTVLGFKSCVZJCO-CQSZACIVSA-N 414.281 1.299 30 10 HDEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1F 1850100595 XWVSSENGNJPGRA-UHFFFAOYSA-N 422.404 1.422 30 10 HDEE COCCN1C[C@H](C(=O)N2CCCc3nc(C#N)cc(Br)c32)CC1=O 1850682708 VZDPABMQNZLHRW-LLVKDONJSA-N 407.268 1.490 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 1851049671 MSHJBGHRBJNCQE-ABAIWWIYSA-N 401.847 1.383 30 10 HDEE Cc1nn(-c2ccccc2)nc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852622657 FAIISLWZNYGJSN-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE CN(C)c1cncc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1 1852788974 VDCMTQKMFSZRCH-OAQYLSRUSA-N 410.474 1.956 30 10 HDEE Cc1ccc2nc(COCCN3CCN(c4ncccc4C#N)CC3)cc(=O)n2c1 1853045764 APSQXVCRMLTSNI-UHFFFAOYSA-N 404.474 1.608 30 10 HDEE Cn1nc(C(=O)N2CCN(Cc3ccc(C#N)cc3)C3(CCCC3)C2=O)ccc1=O 1853795822 MNYLAPIIDYMORA-UHFFFAOYSA-N 405.458 1.449 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CSc2ccc(OC)cc2)C1=O 1854241453 OASDFJDUAKARTB-ZWKOTPCHSA-N 417.531 1.634 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854696912 VRLGROPAKSLDLN-HOCLYGCPSA-N 419.503 1.245 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(S(=O)(=O)Cc3ccccc3)CC2)CCC1=O 1854831931 WENGJRRWLJOETL-GOSISDBHSA-N 417.531 1.745 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C1=O 1855402315 MUPIBWOAOOPRAZ-HOTGVXAUSA-N 408.462 1.858 30 10 HDEE Cn1cc(CC(=O)N2CC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 1855446609 XMEKSWJMNUAXQL-HXUWFJFHSA-N 407.474 1.505 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCC(Cn4nccn4)CC3)C2=O)ccn1 1855920959 MBNSEXQXGFFLCA-LJQANCHMSA-N 407.478 1.478 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)C[C@@H]4CCCO4)C3=O)CC2)c1 1857020395 WKLSYNNVKFMIDO-OALUTQOASA-N 412.490 1.741 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C1=O 1857144199 OEKZLDOOICUCCL-CZUORRHYSA-N 418.448 1.422 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)cc1OC 1857171279 JUUBKBFFEDLWEX-QGZVFWFLSA-N 400.479 1.366 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1857293816 DIAMUFKKEOMENV-INIZCTEOSA-N 409.895 1.477 30 10 HDEE C=CCn1cc(OCC(=O)OCCOCC)c(=O)cc1CN1CCC(N(C)C)CC1 1870670793 ICBNSAYQZHQSOL-UHFFFAOYSA-N 421.538 1.519 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C#N)(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1884184018 GMGGSDBBSYPDAB-SPLOXXLWSA-N 415.446 1.563 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889263591 BNEGEAVBUXNRLB-UHFFFAOYSA-N 415.582 1.688 30 10 HDEE CC(=O)Nc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889466277 QYYNOYRWULOYEI-UHFFFAOYSA-N 412.534 1.517 30 10 HDEE CN(C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)[C@@H]1COC[C@H]1O 1889976953 YHSNSEHWOQADLD-HUUCEWRRSA-N 402.476 1.709 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@H](O)[C@H](O)CN1C(=O)OC(C)(C)C 1910912124 NOKRKILNFKOHDI-FRRDWIJNSA-N 405.289 1.251 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@]1(COC)CCN(C(=O)OC(C)(C)C)C1 1982282711 ZHMUQXVUSCFRHU-AWEZNQCLSA-N 413.334 1.840 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)c1ncc(Cl)cc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c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247917282 JALZJNIISZQMJR-CYBMUJFWSA-N 420.319 1.696 30 10 HDEE CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2247919918 ZXAPGBWNHCURCN-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2255699868 UBPGIRYBKBTONK-HXOBKFHXSA-N 420.322 1.780 30 10 HDEE CN(C)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267710636 YSGOKCZPRGVRCP-UHFFFAOYSA-N 406.766 1.635 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CSC[C@H]3C(=O)O)c2)OC1(C)C 2269040232 LNAUMVYJVHQPQI-JTQLQIEISA-N 405.328 1.196 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@](N)(C(=O)O)C3)c2Cl)OC1(C)C 2281942664 BZTXGMZRPABHCA-MRXNPFEDSA-N 400.693 1.329 30 10 HDEE CN(C[C@@H]1COCCN1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281982822 WNTUWLXRTBRHMH-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282032545 HMMHKDBUZJHHES-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CC[C@@H](N)C3)s2)OC1(C)C 2282329185 JHDVBSVGARRHSW-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@](C)(=O)CCCCN)c2)OC1(C)C 2282334262 ZICLTCZJCVNLOE-RUZDIDTESA-N 422.403 1.573 30 10 HDEE CN1CCC[C@H]1CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337647 MKCWGPQFODVHQN-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](O)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282494701 BDCQDYZYEHIBRG-GXFFZTMASA-N 401.359 1.808 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CCO)C2CC2)OC1(C)C 2282506958 ZULMOXUIIORHDZ-AWEZNQCLSA-N 401.359 1.628 30 10 HDEE CNC(=O)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282827795 DGNIEZZYBWPWOR-SNVBAGLBSA-N 402.709 1.052 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282831425 KBLVLICSJDDUFG-VWLOTQADSA-N 421.777 1.638 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N(C)C 2282848830 SHTPKKSVQQHBDB-TZMCWYRMSA-N 400.375 1.618 30 10 HDEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282850330 NPMPNZNJEFEPNL-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CC(C)(C)[C@@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858469 XOBYINAIVRDMLK-GFCCVEGCSA-N 403.375 1.980 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284396020 APQHRSNCNNSLOP-NSHDSACASA-N 421.371 1.532 30 10 HDEE C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398472 YLJRLYGTGIUFHH-JTQLQIEISA-N 403.693 1.638 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC(=O)O)C2CC2)OC1(C)C 2284402328 IMGFFIGJBBSCSP-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CCC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284414171 DZIHYEXWBDNEEA-UHFFFAOYSA-N 403.331 1.759 30 10 HDEE CC1(CS(=O)(=O)Nc2nc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)COC1 2287115001 UPOGJYHKYKPXGZ-UHFFFAOYSA-N 402.709 1.812 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)n1C 2300223210 WQTSTZUHRKBGFF-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@@]2(NCC#CBr)C(=O)O 2306584607 HIAGYWXTHKKGDK-MRXNPFEDSA-N 403.273 1.555 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)cc1 2330718321 XZJPDDJYGOWSSJ-UHFFFAOYSA-N 404.496 1.463 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]3[C@H]4CO)cc2Cl)OC1(C)C 2359282695 IIKCFUGHZRBMSD-NHCYSSNCSA-N 419.761 1.702 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](N)(C#CC(C)(C)S(C)(=O)=O)C[C@@]12CCCOC2 2365245520 IDITYAUHBSRRQG-RBUKOAKNSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2)C1 2365408064 MKLADIAPSFWTLJ-AUUYWEPGSA-N 400.541 1.292 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(COC)CN(C(=O)OC(C)(C)C)C1 2367794082 YLSNFUKUHXGAPD-OAHLLOKOSA-N 400.541 1.429 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCCS(=O)(=O)CC1 2368846377 HVIZUVCELVWQJB-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2373484356 MGOZEYDRFDJWHF-LBTNJELSSA-N 402.513 1.562 30 10 HDEE C=CC1(N[C@@]2(C(=O)O)CCC[C@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377250264 ZMKXLOZSQQENPB-UGSOOPFHSA-N 402.513 1.562 30 10 HDEE O=C(NCc1cccnc1)c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1 2958828 DFAVFIYIQYBIOY-CVEARBPZSA-N 402.501 1.501 30 10 HDEE O=C(NCC#Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 45610918 LVQGXVUKFLIEJQ-UHFFFAOYSA-N 419.528 1.620 30 10 HDEE CC/C(C)=N/Nc1nc(SCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 59889412 MIQZSIPMDAPOCH-VXLYETTFSA-N 411.513 1.771 30 10 HDEE CC(C)CN(C(=O)CO/N=C(/N)CCCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 60875403 VCBCUDFHDZXTAP-GOSISDBHSA-N 409.552 1.970 30 10 HDEE C#CCN(CC(=O)Nc1cc2c(cc1Cl)OCCCO2)[C@@H]1CCS(=O)(=O)C1 111048349 IREFYVFIGODUNQ-CYBMUJFWSA-N 412.895 1.562 30 10 HDEE COc1ccc(Br)cc1/C=N\n1c(S)nnc(CCC(=O)O)c1=O 169883455 WDJQYQXFMIFWCC-APSNUPSMSA-N 413.253 1.598 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)cc1C#N 427110823 NFZPDOGUJJMSGM-UHFFFAOYSA-N 406.489 1.751 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCSC[C@@H]2C#N)cc1 432222540 GHIDBBIJYQAQHT-ZDUSSCGKSA-N 403.551 1.251 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)ccc1Cl 432973667 WJNIFEGTHZPGKF-UHFFFAOYSA-N 404.879 1.856 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCC2CCC(C#N)CC2)c1 441690494 PHNTWSOAJXEHFM-UHFFFAOYSA-N 406.508 1.113 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)cc2C1=O 460424644 VCLUWXYURRUOKW-MRXNPFEDSA-N 407.430 1.128 30 10 HDEE COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460759850 RNDLFRFNXJLONI-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 460766706 ALFJUXMPQZANHM-UHFFFAOYSA-N 404.540 1.990 30 10 HDEE CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 471941152 BZUIAKGBDDRRJQ-OAHLLOKOSA-N 417.281 1.929 30 10 HDEE Cc1cc(C)c(C#N)c(N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)n1 472509892 ZLAZHDHUVGVUSV-IBGZPJMESA-N 407.522 1.930 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cn2cc(Cl)ccc2n1 480421009 YDHHRTGPDGJSNF-GFCCVEGCSA-N 417.878 1.843 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(C)nc2OC)CC1 485466652 OZRREMQQYPUBKO-UHFFFAOYSA-N 411.300 1.221 30 10 HDEE Cc1ncc(S(=O)(=O)NCCCN2CCN(c3ccncc3)CC2)cc1C#N 489266342 ODQBJOBSPKNLEO-UHFFFAOYSA-N 400.508 1.147 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 502027772 ABRGFZNLZZGMOS-SFTDATJTSA-N 424.526 1.577 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)Cc2ccccc2)cc1 502472041 IBGUQLTZMDYTPE-GOSISDBHSA-N 408.483 1.757 30 10 HDEE CCN(C(=O)CN1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 507783658 FKPZHSHBUJNPEY-KRWDZBQOSA-N 405.520 1.437 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CCC1 516118385 ZTTSXPVRQOJPFT-UHFFFAOYSA-N 407.521 1.939 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 517986288 BAGQPRQMCCPLLI-UHFFFAOYSA-N 413.543 1.973 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 537250407 FYZOAXALKYTTSG-PKOBYXMFSA-N 402.470 1.420 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)CC1 539673431 FRUIUAJHFSADJQ-UHFFFAOYSA-N 423.561 1.552 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H](c3cccc(F)c3)N3CCOCC3)CC2)n1 546875100 ULGSDFPKKFVFRU-NRFANRHFSA-N 409.465 1.814 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCO2)CC1 549892100 KNULRUGFNVKIOX-KRWDZBQOSA-N 414.510 1.450 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)CC2 559474770 CUNBTIQCAYCPEU-KZNAEPCWSA-N 415.515 1.557 30 10 HDEE CN(C)c1nc(CN(C[C@H]2CCCO2)S(=O)(=O)c2ccc(C#N)cc2)ns1 559890044 PFDMFIUQASLQJU-CQSZACIVSA-N 407.521 1.846 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)n1cnc(C#N)n1 561483089 BSVOZSVIZZIPGG-MCIONIFRSA-N 418.479 1.147 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 562024265 HAZZVNIGSSCHLR-UHFFFAOYSA-N 417.495 1.277 30 10 HDEE N#Cc1c(CCCNC(=O)CNC(=O)c2ccccn2)nn(-c2ccccc2)c1N 572207590 CPHDDUZAWCQWBT-UHFFFAOYSA-N 403.446 1.200 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)CCCC1 573626531 OSPIRBQHQYJJJG-HNNXBMFYSA-N 408.476 1.847 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4cnccc4C#N)CC3)nn2)cc1 575111056 DJGSGHZQAZNRMR-UHFFFAOYSA-N 418.461 1.574 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1S(=O)(=O)NCC#N 609412325 PRKGSNVHODPXSR-CQSZACIVSA-N 416.507 1.606 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669805658 FCSDHUPJHHWCSL-KRWDZBQOSA-N 418.523 1.069 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 685556113 QEMJNPIVKGZNNG-ZFWWWQNUSA-N 403.508 1.625 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727813658 BZHNVJPBIFVAPX-UHFFFAOYSA-N 422.510 1.560 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1 728725375 PXRZBKGVGXMNOS-UHFFFAOYSA-N 422.438 1.874 30 10 HDEE C#CCN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@@H]1CCS(=O)(=O)C1 731213042 SAPKVVOEDBWGJA-CQSZACIVSA-N 410.293 1.079 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 732447754 BRXUKUDZCWVEJV-ONNQFXDFSA-N 412.446 1.735 30 10 HDEE COc1ccc(Br)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732708467 POYJWXFNHOIZGT-GFCCVEGCSA-N 407.268 1.595 30 10 HDEE CCC(C)(C)NC(=O)COC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831042 OBGAQGHLKQFMMG-HNNXBMFYSA-N 400.435 1.611 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCCOCC)c2=O)cn1 735069204 NVPRTDYVVBOPOP-UHFFFAOYSA-N 416.547 1.671 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 735851643 BTKCGQSNJFMKMC-MGPWXQLLSA-N 406.483 1.666 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(N2NC(=O)CCC2=O)cc1)c1ccc(C#N)cc1 740232300 ORFJSCPNPBOYNP-IBGZPJMESA-N 407.382 1.787 30 10 HDEE CC(C)[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccccc1F 741340441 DWYDNEWOMATZDL-HQMFNGAOSA-N 417.437 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C(C)(C)C1 746611135 DTHJMLUEJTYVOJ-MSUUIHNZSA-N 406.483 1.761 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1C#N 747021580 PGBMUGORYDCEJX-ZDUSSCGKSA-N 404.444 1.583 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 752701696 MHOTUXNWHKZYDP-CYBMUJFWSA-N 415.471 1.858 30 10 HDEE N#Cc1cccnc1N1CCN(CN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1 752786997 UJOIZUXZKRAQBK-UHFFFAOYSA-N 407.434 1.883 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)c(F)c1 760131742 BHBGUXSZLWZLED-GOSISDBHSA-N 412.421 1.874 30 10 HDEE CC(=O)N1CCC[C@H](COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 766477120 FLMOXJJTOPUMOH-ZFWWWQNUSA-N 407.492 1.305 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 767997430 FVCINOGEPWLRTG-INIZCTEOSA-N 424.519 1.583 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CN1CC(=O)N(Cc2ccc(C#N)cc2)C1=O 771632263 FKLGRHRZYCBFPN-LJQANCHMSA-N 422.489 1.704 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 776302812 GIWQIMKJTKYMLX-UHFFFAOYSA-N 413.864 1.837 30 10 HDEE CCn1c(=O)c2ccccc2n2c(COC(=O)[C@@H](O)c3ccc(C#N)cc3)nnc12 780206768 SNYKKUUXMVRIRN-SFHVURJKSA-N 403.398 1.713 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1C(=O)/C=C\c1c(Br)cnn1C 782346844 FCANCLDTXNQJMI-WAYWQWQTSA-N 415.313 1.937 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCC2(C)OCCCO2)c1 792739787 XXGPPOGKSIUMGO-PGMHBOJBSA-N 410.496 1.774 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1 793206088 VBIMEDMVQVVTRR-UHFFFAOYSA-N 405.457 1.098 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(F)cc1Cl 797820512 AVLPEYCVOVMQHH-JTQLQIEISA-N 400.280 1.944 30 10 HDEE COC(=O)[C@](C)(NC(=O)[C@H](C)n1cnc(C#N)n1)c1cccc(Br)c1 798433055 UXMAIABFFWNWNZ-MGPLVRAMSA-N 406.240 1.678 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@@H]2[C@H]53 800257332 CLWWOJMJRIJRMH-XUOKGDGKSA-N 414.421 1.553 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)c(C(F)(F)F)c1 800385691 AMBDSESTWVDUOX-ICZRDALQSA-N 422.384 1.709 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 802604540 PODRGOVWYDXJCT-DFQSSKMNSA-N 416.570 1.737 30 10 HDEE CN1/C(=C\C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 807223878 KHXIXCZLQRNVQH-XXGYVPGJSA-N 423.469 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3Cc4ccccc4O3)n2CCOC)CC1 812168604 TZJNYTKDJPITCK-LJQANCHMSA-N 409.490 1.567 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)[C@H](O)c1ccccc1 812849778 JFJCZSXENJQVMC-IERDGZPVSA-N 411.506 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)CC3(C#N)CC3)C2)CC1 815083473 OQSZEYICNMUBSW-MRXNPFEDSA-N 404.511 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)[C@@H](C#N)C1 815754944 HMFXIAFDQIMESL-GJZGRUSLSA-N 400.483 1.689 30 10 HDEE COc1cc(Br)c(S(=O)(=O)NC(=O)CC2(C#N)CC2)cc1OC 815898064 QVCJSEAFLLUXRX-UHFFFAOYSA-N 403.254 1.965 30 10 HDEE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(O)C2=O)cc1 816695936 NTEKUZVMJUEONJ-HNNXBMFYSA-N 405.432 1.216 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)CC1 849519997 UQGYVSDDOIFKSC-ACRUOGEOSA-N 400.571 1.926 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 856532385 FNLFFUHUGFNBLW-UONOGXRCSA-N 404.879 1.751 30 10 HDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084294824 IVMFXRIHNBXEPM-UHFFFAOYSA-N 413.423 1.472 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 1116572024 HGXJDRWDKRUSDI-GOSISDBHSA-N 408.520 1.899 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1129171385 AZEXTCCYRPZDJB-GDBMZVCRSA-N 423.922 1.990 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1130469033 DDWGZNFDGKBBSF-UGSOOPFHSA-N 408.380 1.438 30 10 HDEE C=CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC 1138146697 XDPWYDRLFWTMMY-CYBMUJFWSA-N 424.397 1.488 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1138262363 FFFWYDAKNLUEST-KRWDZBQOSA-N 414.510 1.556 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3C[C@H]3CNC(=O)OC(C)(C)C)CC2)c1C#N 1138262656 PHESJJIDUHCRMQ-GJZGRUSLSA-N 402.499 1.410 30 10 HDEE Cc1nc(N)nc(C)c1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1146289626 HHZYEXZAYCMGSH-UHFFFAOYSA-N 402.462 1.900 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(CN2CCCCC2)no1 1157682603 HTOYMKVTTPFMJV-HNNXBMFYSA-N 405.499 1.978 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@](O)(C(F)F)C3)CC2)cc1 1158658316 LOIJJZUELLAAAV-GOSISDBHSA-N 413.446 1.187 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(CO)(NC(C)C)CC3)ccc2c1=O 1158788357 DBCKKBMDYZVXDZ-UHFFFAOYSA-N 416.547 1.836 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccncc1 1162044147 AEVNUWVCUARWDG-GOSISDBHSA-N 415.471 1.679 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CC)(N3CCOCC3)CC2)cc1 1169991221 VVKNADXCOXEBNA-UHFFFAOYSA-N 421.563 1.868 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)CC1 1194060066 IJQFWYJRQLILTA-UHFFFAOYSA-N 414.549 1.767 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1254635530 DHVLSTHUIUGZMB-GOEBONIOSA-N 404.463 1.869 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nnc(-c3cccc(C)c3)n2C1)[C@@H]1CCS(=O)(=O)C1 1264995452 GZTGITHZTVJGOA-ZWKOTPCHSA-N 412.515 1.465 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1286385672 YOFXAGPAEPJIJU-RBUKOAKNSA-N 407.584 1.581 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1286395045 YSGKVUWVKVJZOZ-BJLQDIEVSA-N 418.563 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1286407504 XDCMDDHDFAQHQF-UHFFFAOYSA-N 420.498 1.391 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCN(C)C 1286427630 LAXILBIEZZJUOI-NRFANRHFSA-N 423.517 1.832 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1286673496 XZJOWDZJRSUCSL-HOTGVXAUSA-N 424.571 1.809 30 10 HDEE C=CCn1c(N(C)[C@H](C)[C@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286778075 XPGJUORNEMUTFW-VKJFTORMSA-N 400.545 1.763 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286788315 UPSSOXMCTAAHTK-HUUCEWRRSA-N 420.514 1.188 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1cc2ccccc2n1CC#N 1288693088 DFOZYEKRBNJBTL-UHFFFAOYSA-N 417.469 1.669 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 1292419300 HIRMUSRUAMRAGI-IAGOWNOFSA-N 419.323 1.736 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)/C=C\C(=O)c1ccc(C)cc1)C(=O)NCCN1CCOCC1 1292872744 WLUIIKGJWDLGIJ-CLHMMGTOSA-N 415.534 1.713 30 10 HDEE CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1292904727 MRCJYPDZQLSNSW-VVWDJWGFSA-N 401.515 1.286 30 10 HDEE CCCN(CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1294504624 CNAMHLJQEMAOSU-PBHICJAKSA-N 415.539 1.062 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1294754118 BLIWWYLKWQAGGL-BBWFWOEESA-N 408.572 1.650 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC)C1 1296328877 FLEKJHCNVFBAGK-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N[C@@H]3CCCN(O)C3=O)CCC2)C1 1298543692 UGYNKUOZPSMPKE-VLIAUNLRSA-N 411.499 1.415 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 1298552630 JFEQNZHATMAXIT-DLBZAZTESA-N 417.491 1.181 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1298666194 PZJNQUNHLXBJDJ-JKSUJKDBSA-N 404.467 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1300266785 BEKRBCZTRLUONC-AWEZNQCLSA-N 403.446 1.531 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1300364388 JRXDVPOROXJDIU-KRWDZBQOSA-N 421.567 1.288 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1300430463 MXZFXHLYMUGYND-CYBMUJFWSA-N 411.915 1.690 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCn1cc(CO)nn1 1300449818 OGOQAXARQXBIGC-UHFFFAOYSA-N 402.462 1.737 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@@H]2C(C)C)CC1 1300697699 HVTLZPKDZOPRNA-CMKODMSKSA-N 414.554 1.436 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301196675 HQWHIAAITCSHQC-DAYGRLMNSA-N 413.544 1.239 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301197691 MVCXKLXXYBOIMS-INIZCTEOSA-N 401.515 1.521 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)OCC 1302418576 IMDRJLDSTHSBHU-CYBMUJFWSA-N 407.851 1.076 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1302510867 KCWZZEMIPZHNIZ-WJXXOHKWSA-N 415.519 1.785 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1303471808 HQVQFAXSPFRBKZ-SFHVURJKSA-N 412.535 1.781 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCCCC1 1303833123 DSDQEMZGVXUYNV-OAHLLOKOSA-N 424.571 1.714 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 1307196028 OALZFIHJSDQLNB-UHFFFAOYSA-N 407.499 1.886 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1309914593 DWIGWMPBFQXHRE-UHFFFAOYSA-N 416.544 1.569 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(C)c(C#N)c1)CCS2(=O)=O 1313268813 ZNNXCSLTTMFCTQ-GNZRSQJKSA-N 419.503 1.565 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1314669868 GADSYAHHHFOJAW-UHFFFAOYSA-N 408.510 1.765 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315731047 GLJBAZOOWSCJCC-KSSFIOAISA-N 412.494 1.988 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCc1nc(CC(=O)N2CCC(N(C)C)CC2)no1 1339224607 MFORDDAFKIEGJP-UHFFFAOYSA-N 412.494 1.539 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1348381386 RDDWERBBQXZDDP-INIZCTEOSA-N 423.535 1.896 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1358948601 GHPUJXGIXURZIZ-CVEARBPZSA-N 400.504 1.816 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCn2ccnc2C1 1358970845 YYFVZOWYKSHLLP-AVRDEDQJSA-N 408.506 1.462 30 10 HDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(C)(C)O 1358971421 UTQUTOUAZWHCGB-UHFFFAOYSA-N 414.535 1.390 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CC1(O)CCN(C(C)C)CC1 1358990608 UNDVKZXLLOUWHC-UHFFFAOYSA-N 408.550 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1ncn(C)n1 1358996931 YERBMVGOWHGLGF-UHFFFAOYSA-N 403.490 1.712 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)CN2CCOCC2)CC1 1359033607 IQEZSJROSHJUMN-IBGZPJMESA-N 409.538 1.064 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(C)COCCO2)CC1 1359033699 MNKSAWJJLBVSKX-QFIPXVFZSA-N 411.506 1.514 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359123612 BLRPISDDYYJWQJ-UHFFFAOYSA-N 423.525 1.217 30 10 HDEE C=CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1359221327 YANPBPAXZMJRPV-UXHICEINSA-N 424.567 1.911 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359286652 IMCDXBXWRHRMFY-HNNXBMFYSA-N 402.499 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](OCC=C)C1 1359294115 KWPGEPMVAACJCU-QGZVFWFLSA-N 412.450 1.937 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359299660 KPJSWOSTIYWZCY-MSOLQXFVSA-N 424.505 1.499 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359301382 XXEMAKLBJWWCTM-SJORKVTESA-N 418.542 1.217 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)nnc1-c1ccco1 1438552229 XVZKNPXPUJSMFF-BETUJISGSA-N 415.475 1.280 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 1450549176 UJLPRCLALLDLRR-LIRRHRJNSA-N 401.488 1.903 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)C2 1455039364 RIZGPLKJCZQHND-CRAIPNDOSA-N 410.861 1.469 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1455227658 AEVICWIFSGSKSV-UHFFFAOYSA-N 414.554 1.679 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(OC)CCS(=O)(=O)C1 1455968108 WGFNHRCRJJLISD-WBMJQRKESA-N 410.920 1.342 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 1459881142 OAKJTFMMRJRTET-ACQXMXPUSA-N 404.536 1.659 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1461242319 BGTQXQVAXDUYNF-FQEVSTJZSA-N 412.534 1.912 30 10 HDEE COCc1ccc([C@@H]2COCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)o1 1462920687 AMLQDGQEYYUGDG-HNNXBMFYSA-N 419.459 1.065 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CC(=O)N(Cc4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1463163895 QHMHXSRGBDUXKO-ZRGWGRIASA-N 421.906 1.085 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CCOCC1 1464567094 KONQEYUSKCMPNV-UHFFFAOYSA-N 419.272 1.538 30 10 HDEE CC(C)C[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)NC(=O)OC(C)(C)C 1464928525 YGJPJJNMLZYQBS-IAFNSTAXSA-N 408.499 1.959 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C(=O)OC)O[C@H](C)C2)cc1 1465259091 LIEODUSEUIHGJV-CJNGLKHVSA-N 411.480 1.287 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1469871932 IPKDOIJVHDGBCG-RTBURBONSA-N 421.453 1.874 30 10 HDEE C#C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1F 1470668739 YRHOEHOONZSINB-HNNXBMFYSA-N 401.785 1.554 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)cc1 1471266755 OWZLTARSLCEGGN-GOSISDBHSA-N 410.499 1.618 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1496789879 DCDXCXHYJBGPTN-OAHLLOKOSA-N 422.555 1.371 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1=O 1503672010 DYZRYCNEVKDHIU-AOMKIAJQSA-N 421.505 1.387 30 10 HDEE CO[C@]1(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1504057674 NDRXLNMQJBBUBN-ROUUACIJSA-N 406.487 1.881 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1504888087 ZSPMUXLRAOCTFB-KRWDZBQOSA-N 411.510 1.545 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCS(C)(=O)=O 1504956275 CDLUHZROSCGWBU-HNNXBMFYSA-N 413.544 1.567 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(OC)cc1 1505000207 PSRRQKUFBWRFHU-LPHOPBHVSA-N 415.494 1.982 30 10 HDEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505056399 WFWICQSJWSYWNH-ROUUACIJSA-N 404.515 1.359 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(CS(C)(=O)=O)CC1 1507617934 DGVYTSUVKXDFOD-UHFFFAOYSA-N 406.483 1.890 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507627100 COLSBSUJYMOTSD-HNNXBMFYSA-N 418.519 1.351 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507628162 VFJOBFWRNIJRLO-XLSPSMHOSA-N 422.551 1.526 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1507650898 WSOSSGRUAHZEJL-ROUUACIJSA-N 421.492 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCc2cccnc21 1507656008 BMQJNYOSTWNQCO-IBGZPJMESA-N 402.502 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCO[C@H](C)C1 1507659824 GITFHHVLZFGYQF-FGTMMUONSA-N 421.567 1.556 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(CS(C)(=O)=O)CC1 1507763413 BZAOKRLXTACADI-QFBILLFUSA-N 424.567 1.819 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507878168 JHAFXEOZKBCOKF-HXUWFJFHSA-N 418.519 1.660 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1507998442 AKUITTKAYLBCGL-RTBURBONSA-N 422.489 1.709 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(C)n1 1508001233 NCAAUDHKMLIUPX-UHFFFAOYSA-N 406.494 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](COC)C1 1508075594 YRKDVCCQGFSOKK-MRXNPFEDSA-N 416.438 1.007 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)CC(=O)NC(C)C 1508135838 BIIGWAAVLJAWRX-UHFFFAOYSA-N 423.514 1.646 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCO[C@@H](C)C1 1508139169 DNGIQTQUQGITQT-INIZCTEOSA-N 405.524 1.865 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)C1 1510282834 BGRYMRAAVXLEFN-NRFANRHFSA-N 415.542 1.366 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H]1COCCO1 1513357450 PDXBZPNOPFNZMR-DNVCBOLYSA-N 408.478 1.444 30 10 HDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1513461130 HGVUCRDFNMVQLU-IAGOWNOFSA-N 424.509 1.247 30 10 HDEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1517017128 YKPGGWRYEOQRAW-UHFFFAOYSA-N 410.526 1.327 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1517589517 CPLOZVQUBJVHQI-UHFFFAOYSA-N 409.450 1.032 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1519396347 FLWNSMBHVYXMBH-MSOLQXFVSA-N 410.478 1.195 30 10 HDEE N#Cc1ccc(OC(=O)CN2CCCCS2(=O)=O)c(I)c1 1530758514 HDHCKHHQQMPNSZ-UHFFFAOYSA-N 420.228 1.494 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1535416932 ANQYBBIHMZCCIO-IYBDPMFKSA-N 421.519 1.882 30 10 HDEE C[C@@H](C(=O)Nc1nc2n(c1C#N)CCS2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1537625445 CFHULPYXJVRERY-NSHDSACASA-N 420.495 1.267 30 10 HDEE CC(C)(CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CS(C)(=O)=O 1537751919 BBGOZSSNEXFVBX-ZDUSSCGKSA-N 411.911 1.752 30 10 HDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)nn1 1538152812 LPSNUVNVCBRYKK-OAHLLOKOSA-N 404.268 1.930 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)O1 1538284233 IVEHXJMGPYKGSU-IDPBPBMLSA-N 417.481 1.945 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539020418 BJZBZLPJOGJLIZ-DOTOQJQBSA-N 419.526 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC(F)F 1539273053 ISQCQMSJHYPRFR-UHFFFAOYSA-N 410.428 1.735 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1539343214 HIXUHMGLUKOEGJ-CABCVRRESA-N 423.514 1.954 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C 1539650518 RMGYIXMHKGVUFE-PTFIGZPYSA-N 419.617 1.838 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@@H]2COCCO2)cs1 1542925895 KDWOVLBFRNACKG-CVEARBPZSA-N 404.496 1.168 30 10 HDEE CCOCCOC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1543080848 BAVPOJVSWXBBLP-UHFFFAOYSA-N 409.508 1.159 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4cc(O)ncc34)CC2)cc1 1543120637 BQJSJDKNRPZODX-UHFFFAOYSA-N 422.466 1.959 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NCc2ccco2)C1 1544441144 GMOWGXRFEXVWLO-UHFFFAOYSA-N 417.263 1.783 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1NC(=O)CC1(C)C 1545832554 TWPRBGULCALDBN-HIFRSBDPSA-N 403.531 1.707 30 10 HDEE CCCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1547247287 RSGYAVXWBMMBIB-MSOLQXFVSA-N 423.521 1.686 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1CC1(O)CCOCC1 1554149856 AWRLGRMGVMGLLG-UHFFFAOYSA-N 405.462 1.785 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1557702763 FZNXTJYMJNLUPC-HNNXBMFYSA-N 410.430 1.683 30 10 HDEE CN1CCn2c(CNC(=O)c3cccc(COc4cccc(C#N)c4)c3)nnc2C1=O 1558183017 XTAPNPUPDIFXIK-UHFFFAOYSA-N 416.441 1.744 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 1560128318 DTYGRWUGACRHPC-YSTOQKLRSA-N 401.507 1.430 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 1566443131 ACBNIRBOVJFVFK-UHFFFAOYSA-N 401.492 1.895 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](N4CCC4)[C@H](F)C3)C2=O)cc1 1568543227 DWBMRMKKZFNUMQ-KURKYZTESA-N 413.453 1.408 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]23OCCC[C@H]2C3(F)F)s1 1584800770 MRWGZCSOFYPFEJ-DOMZBBRYSA-N 406.476 1.685 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)c3nc(O)c(C#N)cc3C)cc2)CC1 1587454980 PYGDEYWHILKRLO-UHFFFAOYSA-N 407.474 1.926 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(COCC)cc1)[C@H]1CCS(=O)(=O)C1 1588034650 JWRDPMRHADQXTF-IBGZPJMESA-N 402.520 1.798 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2cc(CC#N)ccn2)C1=O 1588042969 UISDXQYRVYZXNR-OAHLLOKOSA-N 401.467 1.849 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1588196153 ZLCSVOYSNSSKSB-CMDGGOBGSA-N 417.487 1.872 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1589048072 TYWCMRWAPVSZEU-TWOQFEAHSA-N 416.551 1.818 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1589110761 ZGUGEUAASZYMCW-OXJNMPFZSA-N 419.551 1.151 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)C1 1589581207 QIKLOEABSLLIDA-DKKFBQAASA-N 419.526 1.262 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1593741727 WDTMQLAQWFUEAC-HUUCEWRRSA-N 400.487 1.292 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2cnc3ccccc3n2)C1 1593889792 QOGWPJDQTZBJTR-CQSZACIVSA-N 421.482 1.794 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1593894912 HXZWZZYHIFDLAJ-AWEZNQCLSA-N 410.931 1.487 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCCNc1ccc(C#N)cn1 1594798362 ZYOYBURFVUCVDE-QGZVFWFLSA-N 415.494 1.897 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC=C)C1 1595723422 WGNLTYCZSBJECY-IRXDYDNUSA-N 410.540 1.554 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1596063704 GPSWRAWXBOXOEP-BEFAXECRSA-N 400.462 1.379 30 10 HDEE COCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 1596420172 MCTFXSVWMALMMZ-FXBPSFAMSA-N 405.480 1.595 30 10 HDEE C=CCC1(O)CCN(C(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1596593366 MTQQJZXKUQBGPG-HJWRWDBZSA-N 413.518 1.830 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CC#N)C(F)(F)F)cc1OC 1596782748 GKRJJQHIWORFMJ-ZDUSSCGKSA-N 409.386 1.333 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1596821611 DQTNIUGRTUVSSO-TZMCWYRMSA-N 403.874 1.952 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C2)c(=O)nc1O 1607490155 UXSOGSCLBYSLAL-UHFFFAOYSA-N 413.478 1.069 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)n(C2CCCC2)c1C 1619577080 YBYLGEPEYDMKFE-UHFFFAOYSA-N 414.554 1.736 30 10 HDEE CS(=O)(=O)c1ccc(CCn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)cc1 1620149485 GOYGWUVMSHIYKC-QGZVFWFLSA-N 415.519 1.606 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)C1 1621912962 JGMLPJUHXKPLNV-AWEZNQCLSA-N 403.280 1.636 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1623499270 WAGFDHLBCXBFGD-GOSISDBHSA-N 422.570 1.456 30 10 HDEE CCOC(=O)CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1625790942 WNUIXEGUHBNWNM-UHFFFAOYSA-N 421.519 1.840 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 1626842718 DCBRCRBTILEUSN-KRWDZBQOSA-N 416.474 1.697 30 10 HDEE C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCN(C)CC1 1627147119 IFFBXJXTUUBXJF-HOCLYGCPSA-N 403.914 1.317 30 10 HDEE CN1CCN(C)[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1627802113 GIQLRBYUEVVHKR-NHUHVJRWSA-N 405.543 1.135 30 10 HDEE CNC(=O)[C@H](CCSC)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1629025182 HUWBZLDCDBIUFD-INIZCTEOSA-N 406.357 1.892 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1629635788 WSINIKVKWBQCHY-AWEZNQCLSA-N 422.482 1.664 30 10 HDEE C=C(Br)CNC(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC 1630505882 GOFIYCQPFRKIGR-GFCCVEGCSA-N 402.264 1.947 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 1630607487 KSBDDZQZRBCUMR-QVKFZJNVSA-N 411.462 1.504 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1632877791 YFSBNXBEYDCMNI-RYPNDVFKSA-N 405.451 1.206 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cc2nc(C3CCOCC3)n[nH]2)C1 1633661912 ATOGPDNEUKMGOH-KBPBESRZSA-N 404.471 1.116 30 10 HDEE C=CCCSCCNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1636748896 ZMBMBSIGNACNHO-XOYHFGRZSA-N 404.554 1.494 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1637759572 QHFKXEBNHKIDEP-LJQANCHMSA-N 406.552 1.789 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)c3cccc(C#CCO)c3)C2)C1 1637873630 MHTOVHVMVIZJSX-QFIPXVFZSA-N 400.475 1.882 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)cc1S(=O)(=O)NCC#N 1638939078 RKHOMDZGZHRQQZ-HNNXBMFYSA-N 406.508 1.316 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@]2(O)CCOC2)ccc1F 1639835468 KGAQXXFICJJNBC-SFHVURJKSA-N 400.472 1.197 30 10 HDEE C#CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)C1 1640396792 WKWWRBMVZJMEDC-OAHLLOKOSA-N 408.480 1.125 30 10 HDEE CN(C[C@H](O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1644813026 BITKEBKQQWUQBN-MRXNPFEDSA-N 413.478 1.087 30 10 HDEE C#CCOc1ccc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1646409778 XXJAFSRODLUMTM-MRXNPFEDSA-N 413.474 1.649 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCn3ccc(O)nc3=O)CC2=O)cc1Cl 1647049876 JGPSCRPOPRPYBA-ZDUSSCGKSA-N 415.837 1.033 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1647885577 JOCBIBSWNGHYMZ-MSOLQXFVSA-N 417.579 1.694 30 10 HDEE N#Cc1cc2cccnc2nc1N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1651288728 ZBNLMRSKCZXEAW-UHFFFAOYSA-N 424.442 1.921 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(C)(C)C 1653072802 MEAPPYHKGKAKSX-CKFHNAJUSA-N 413.540 1.713 30 10 HDEE CC(C)(C)OC(=O)CCCCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1654480466 GPNAZADCRAGXEI-UHFFFAOYSA-N 409.508 1.855 30 10 HDEE N#Cc1ccc(Br)c(CN[C@@H]2CC(=O)N(CCN3CCOCC3)C2)c1 1661533690 BIYSRXVFGCYGNM-MRXNPFEDSA-N 407.312 1.343 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C#N)n1 1663144778 PBNHSEWBOLNLSN-UHFFFAOYSA-N 403.420 1.133 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OCC 1668531642 WASUZXOMNPPKGU-NSHDSACASA-N 401.437 1.277 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1672547803 HXCVMAHSYIEVBD-IEBWSBKVSA-N 414.506 1.202 30 10 HDEE C=C(CC)CNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1673615198 QSLBQENJDGRMFU-UHFFFAOYSA-N 409.508 1.830 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)CC2)C1 1676030895 LJXLJGWICXQZRU-LJQANCHMSA-N 402.926 1.834 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)cc1OC(F)F 1681267156 LICWKBWMXMOTDM-VIFPVBQESA-N 423.351 1.889 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1682373474 IULVANGZTQLCLC-HOTGVXAUSA-N 423.514 1.120 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1689856466 QWOGMDMKCBDNQI-QGZVFWFLSA-N 424.530 1.700 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1689921130 VJNZFBXGTXXSQQ-SFHVURJKSA-N 411.506 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnnn1CC1CC1 1689955864 WKZXBRKFZQNXGP-UHFFFAOYSA-N 422.493 1.867 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689985860 CZWBCDLARKGTIY-INIZCTEOSA-N 405.524 1.337 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(=O)(=O)CC 1690064093 ZSERKLCQHKCDNZ-UHFFFAOYSA-N 406.468 1.252 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1690307176 QZVHEEJJYGPPSL-UHFFFAOYSA-N 417.485 1.972 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1690527314 NBYDWIIETMEUKW-MRXNPFEDSA-N 409.556 1.595 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCSC2)C1 1690710321 QSGWHPCNPJLAKL-PXNSSMCTSA-N 401.536 1.913 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)CC 1690724680 UHTMSOXFJOIKDK-LSDHHAIUSA-N 418.585 1.263 30 10 HDEE CCNC(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1695922296 OBSWJHNHRXZWQT-INIZCTEOSA-N 414.535 1.966 30 10 HDEE CCOCc1nnc(N2CCC(CC#N)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696286776 IYVSGVSMEUTALV-HNENSFHCSA-N 413.482 1.471 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1696442869 OSSZJCRVKMFCEG-UHFFFAOYSA-N 421.509 1.152 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1696450564 ATDHTRVYVXTVKR-SFHVURJKSA-N 422.493 1.625 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705489710 UYFYBNFSBHUPSN-DYESRHJHSA-N 419.533 1.751 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1705500507 OPNDEPYFKMESAT-MRXNPFEDSA-N 404.478 1.487 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705523825 ZTWWPVLBFSFHPT-KKSFZXQISA-N 410.478 1.723 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1705559474 BCNNOPZOHAIXMB-LSDHHAIUSA-N 401.492 1.931 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705563426 XLRVBUXKVBRJEG-QGZVFWFLSA-N 418.519 1.617 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705569951 ITIKKWUZOBZNLC-IBGZPJMESA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN(C)CC)c1 1705585036 IQVRZXPUWVGNFZ-UHFFFAOYSA-N 418.545 1.973 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCNS(C)(=O)=O 1705595719 DBTAIXUOBJNMST-UHFFFAOYSA-N 400.508 1.051 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1705596008 ONVDWZBOWGHGQP-UHFFFAOYSA-N 424.461 1.311 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1705618150 VREBXXDWWSJQEQ-UHFFFAOYSA-N 401.442 1.315 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCCCS(C)(=O)=O)CC1 1705639592 RUSIJUFSWBEGBY-GOSISDBHSA-N 423.583 1.490 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1705640506 URIIHMSPMWYBCR-HXUWFJFHSA-N 416.614 1.979 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1705908193 KPLWCUFTAZVSDF-OAQYLSRUSA-N 419.526 1.239 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1710467454 NGMRNDSPMTWGGI-JWWGGVBKSA-N 419.526 1.600 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)C1 1712875547 PNMMEPDNZRDIFP-GOSISDBHSA-N 404.402 1.694 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)C1 1712876945 XWVHKKBZAYQAJQ-HXUWFJFHSA-N 409.425 1.615 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722432438 XQWWFPISJRSRKV-QGZVFWFLSA-N 406.534 1.881 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722452895 MAZAOSIJYHSOGJ-IAGOWNOFSA-N 404.584 1.799 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722462189 KUTGRVOOMAJQEY-SJORKVTESA-N 412.519 1.565 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(N)=O)CC1 1722464542 JITKCQXWZZCYKQ-HOTGVXAUSA-N 407.540 1.070 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1722697637 NIAIGWYVIDJZGG-WBVHZDCISA-N 401.515 1.622 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722871985 HZFQGNUKYAESJL-ZNMIVQPWSA-N 416.448 1.989 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1723690215 IXMXFCMVGLWLMJ-LAUBAEHRSA-N 420.558 1.635 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccncc1Cl 1730876762 PYGJALOJJCWOCA-ZFWWWQNUSA-N 406.874 1.828 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1730920843 YWMPPFFJTXRKRC-PKOBYXMFSA-N 424.505 1.585 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCO[C@@H]2CCOC2)C1 1731181086 FOEYVPCEQFKKJP-XLIONFOSSA-N 400.458 1.901 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCCOC)C1 1740709158 BNCMZRWAYYUFLV-INIZCTEOSA-N 407.540 1.122 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740758922 DCZNMXYTYJLHKZ-BLIXFSHQSA-N 410.522 1.912 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2cnn(CC)c2)CC1 1740960487 SSRIXARAUWADDV-QGZVFWFLSA-N 413.526 1.685 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)F 1741676081 WVOVALIFRYHGIP-AWEZNQCLSA-N 411.457 1.222 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1748630499 KIBUXHAAHAZSCC-QKLQHJQFSA-N 401.442 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO 1748682450 VUGZDGBMMIMWDU-CRAIPNDOSA-N 402.568 1.939 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCSCC2)CC1 1748987644 ZOTOEVMIXQNIBS-UHFFFAOYSA-N 411.579 1.453 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749038550 LBHKICWDSLFTOI-QKLQHJQFSA-N 406.552 1.923 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)C(C)=O)CC1 1749039278 SEEPQYURJJGHEL-QGZVFWFLSA-N 405.568 1.986 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1749465621 UWUSKTHDRUBVKA-CYBMUJFWSA-N 410.519 1.764 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCNC(=O)C1)C(C)C 1749558496 WMYHYEWMCZYBFV-ZWKOTPCHSA-N 402.543 1.417 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1(=O)=O 1749601080 WTSZBGPCRHFJSW-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1749677352 WUMPBSKIAHPHHM-OAHLLOKOSA-N 421.505 1.319 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1749756226 VDCWVMWLJBOSJP-CYBMUJFWSA-N 409.537 1.650 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1751094198 GCBFDWZIEZYNTP-UONOGXRCSA-N 405.503 1.834 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)cs1 1751774283 UTAHFTNWYFHQIM-HXUWFJFHSA-N 415.567 1.831 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1760181821 BXIXIQJDAQWNHP-MRXNPFEDSA-N 407.540 1.399 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1760189863 QNSMKWZXQJCHDT-HIFRSBDPSA-N 408.553 1.057 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1760197539 ACXZBILCHMZAAC-NRFANRHFSA-N 402.502 1.736 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC1(N2CCCC2)CCOCC1 1760202413 CTDPAZPABYQOJF-FQEVSTJZSA-N 411.550 1.890 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C)C1=O 1760213378 ZUNZDEWOAVFAFX-OAQYLSRUSA-N 406.446 1.795 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1 1760321896 LJORBLMZVKTFAC-NCOADZHNSA-N 410.540 1.387 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)cs1 1762296514 LNMDCELGLXTLKJ-SUMWQHHRSA-N 401.540 1.845 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1765169500 QZTDJSDFBWGBIS-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1769285306 UVXQHMKTJFZLCX-MSOLQXFVSA-N 414.485 1.965 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1770016119 KACLMKCKTRWHIS-DBXWQHBBSA-N 420.558 1.853 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCC(O)CC1 1771179265 QKQGDMCOEPIMTB-KRWDZBQOSA-N 420.558 1.589 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1772564382 SJESTFCLZWGLNQ-KGLIPLIRSA-N 413.544 1.716 30 10 HDEE Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cnc(C#N)nc3)CC2)c1C 1848542193 UIZNRJPPAWPDMF-FQEVSTJZSA-N 418.501 1.919 30 10 HDEE CCOc1ccc([C@@H]2Cn3nnc(C(=O)NCC#CCN(C)C)c3CO2)cc1Cl 1850613133 YILQSVCCFLLWIC-SFHVURJKSA-N 417.897 1.897 30 10 HDEE CCc1nc(N2CCN(C(=O)c3ccc(CC#N)cn3)CC2)c2c(n1)c(C)nn2C 1851695533 AKKUFRLJYIPNIA-UHFFFAOYSA-N 404.478 1.658 30 10 HDEE CN(CC#CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)Cc1ccccc1 1851856901 WFUMFQKWYZTHPM-VXKWHMMOSA-N 409.530 1.679 30 10 HDEE N#CCc1ccc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)nc1 1851915648 CCLDEYNVXRYNLO-UHFFFAOYSA-N 416.485 1.883 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2Cc3ccccc3C(=O)O2)CC1 1852670418 YVXHSIXHYMLPRT-LJQANCHMSA-N 406.442 1.400 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CCC(=O)N3Cc3ccccc3Cl)CC2)n1 1853129456 UCGWWLJKPHDYKN-GOSISDBHSA-N 424.892 1.841 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)C1 1854525510 NKQKRZVDUABNLB-MRXNPFEDSA-N 410.474 1.727 30 10 HDEE Cc1cc2ncc3c(n2n1)CCN([C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1=O)C3 1855471533 RHLBCNYGWIXOHL-IBGZPJMESA-N 400.442 1.709 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2F)C2(CCCCC2)C1=O 1856335029 XSGTTXQCZGQMBH-UHFFFAOYSA-N 407.467 1.943 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCc4ccc(Cl)cc4C3)C2=O)CC1=O 1856565848 IGBVWYNMAXJLEO-WMZOPIPTSA-N 401.894 1.860 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2cccc(C)c2)C1)[C@H]1CCN(C)C1=O 1857044859 AWIFXZVBDXSFTL-QUCCMNQESA-N 413.518 1.858 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)Cn3cnc4ccccc4c3=O)C2)CC1 1857222967 YMIIRKKPPNPZJC-QGZVFWFLSA-N 407.474 1.397 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCC[C@@H](C(=O)OCC)C2)n1 1858762492 AOCTXWANJKPFKC-OAHLLOKOSA-N 417.462 1.945 30 10 HDEE COc1ccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCCNC=O)C2=O)cc1 1863336901 QCCOTDRAVVNJFE-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@@H](CO)C1 1868783915 ULKWKNMRKPEONQ-JZXOWHBKSA-N 418.563 1.760 30 10 HDEE C=CCn1cc(OCC(=O)OCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870331659 LVEGJYYWRCECHD-UHFFFAOYSA-N 406.479 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882717251 QRNQAJWDIIRKOJ-KOLCDFICSA-N 403.526 1.857 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC(COc2cccnc2C#N)C1 1892068249 WKWAYRKEEBNBBC-UHFFFAOYSA-N 404.404 1.570 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCOCCC#N 2074667709 UICDTJAKAIQAEN-OAHLLOKOSA-N 412.464 1.490 30 10 HDEE C[C@H](NS(=O)(=O)CS(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2130083866 YDGQWUQWFZULBF-JTQLQIEISA-N 409.360 1.030 30 10 HDEE N#CC1CCN(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)CC1 2142142286 DCVHGUNGFGVJHX-FDYSRKEFSA-N 418.519 1.904 30 10 HDEE C=CC1(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CN(C(=O)OC(C)(C)C)C1 2196121825 GQIIYKHYVKSWFE-UHFFFAOYSA-N 400.428 1.978 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)C(C)(C)C 2197741031 XCLAYWFTBGUGFL-KBPBESRZSA-N 400.541 1.963 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2243389677 WRDJBAVXSAAKFU-OLZOCXBDSA-N 406.292 1.115 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2243424035 JZWZXTRETCBGAG-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243677130 RIEIXJHQQZWCRL-LSDHHAIUSA-N 408.304 1.619 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2243677654 YSWJENFYMDUILZ-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE CO[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2243686587 ODDBFPYEIMQFGD-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCCO1 2243703311 WFBLZLAKFSLEEB-CABCVRRESA-N 408.304 1.810 30 10 HDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2247825815 JOYXTJVPNBGHFC-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE C[C@@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247826212 QAITXCGJTRAFDM-OCCSQVGLSA-N 420.319 1.694 30 10 HDEE C[C@@H]1[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2247826810 ABYWMTDAMGPDGH-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2247832964 YRASARBAEYKYMY-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE Cn1nccc1[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248404315 LSEAQQYTMMNTAB-OAHLLOKOSA-N 418.303 1.737 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)OC1(C)C 2255879228 MCWZSMCXJMNKFR-MSOLQXFVSA-N 420.322 1.875 30 10 HDEE C=C[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258138385 JNCDUNGWEDOVAM-WBVHZDCISA-N 410.492 1.682 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@@H]4CNC[C@@H]43)cc2Cl)OC1(C)C 2267352016 HRAKIDKLEHHESO-GDGBQDQQSA-N 404.750 1.197 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2267352374 DMNJJKPZJYJMIK-VHSXEESVSA-N 406.766 1.729 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)Nc1ccsc1Cl 2267706570 AWSWKSMNPLVOJA-UHFFFAOYSA-N 404.710 1.630 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCS(=O)(=O)C(C)(C)C)s2)OC1(C)C 2282198603 CQJJOKPQVCUJPO-UHFFFAOYSA-N 401.359 1.990 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320659 LOYVZPZFXAGIAL-NEPJUHHUSA-N 405.322 1.307 30 10 HDEE C[C@@H]1C[C@@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493205 RYGKPDKORHPXFR-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@H](N)CC2)OC1(C)C 2282500470 KWVVCQANEAQGAQ-STQMWFEESA-N 400.375 1.986 30 10 HDEE CONCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511137 KDRZFZZAEUXZBI-UHFFFAOYSA-N 404.725 1.459 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)n1 2282545550 SBLLDHMYUIZTQZ-CQSZACIVSA-N 405.304 1.335 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)sc2Cl)OC1(C)C 2282618439 MPFREHHOKLLQRN-SECBINFHSA-N 420.749 1.204 30 10 HDEE CC(C)[C@H](O)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828579 QSYGOQGKOBBJAV-CQSZACIVSA-N 403.737 1.934 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)N1CCC1 2282832205 LIFSJMBMOWLNFT-GFCCVEGCSA-N 400.375 1.728 30 10 HDEE C[C@H]1CCOC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833581 IXWHCOAXJQCIAH-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE COCC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282839445 DINMHDNWIUPHAB-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE CCCN(CCOC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846828 POJFHXPOWVANMY-UHFFFAOYSA-N 404.363 1.631 30 10 HDEE CC1(C)C[C@@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854551 SZZQZWBWJWAEFC-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC[C@H]1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282855387 CXCFZHZEJBLADN-QWHCGFSZSA-N 400.375 1.856 30 10 HDEE CC1(C)CCNC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282865436 UHUSORGEZBNXLS-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC[C@H](C(=O)O)C2)OC1(C)C 2284397041 HPXKNVOWMPGWTR-WDEREUQCSA-N 401.315 1.579 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](C)C(=O)O 2284399767 OGEWLCDHBSCXTR-JTQLQIEISA-N 403.331 1.745 30 10 HDEE C=CCN1C(=O)C(=CC(=O)OC)SC1=Nc1ncn(CC(C)=O)c1C(=O)OCC 2297508200 SPNGEFKMFTYERJ-UHFFFAOYSA-N 420.447 1.455 30 10 HDEE CCCN[C@@H](C#CC(C)(C)OC)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363511354 PESOOYPEQMPVBC-KXBFYZLASA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367796705 QVKQJYITHIIDCK-OWCLPIDISA-N 400.541 1.604 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)c1cc(I)nn1C 2367802549 BXEGPHCFMRNNSO-JTQLQIEISA-N 407.277 1.256 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2367804089 PPYYADFIVIOFMF-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE CC[C@@](O)(CCNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367809392 MRJMKOYXKFTEJH-DNVCBOLYSA-N 402.557 1.601 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H](CC)NC(=O)OC(C)(C)C 2367824756 MZKKTVZMPBJJDT-BZUAXINKSA-N 402.557 1.599 30 10 HDEE COc1ccc([C@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)cc1O 3209562 GLRUJQCTVXYUAW-INIZCTEOSA-N 417.421 1.963 30 10 HDEE CCOC(=O)c1sc(NC(=O)CSc2nnc(COC)n2N)c(C#N)c1C 20843577 BBPFOJVTDOKDCJ-UHFFFAOYSA-N 410.481 1.287 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1O 21316810 BUCOXQXQWWHCAU-DNTJNYDQSA-N 417.451 1.154 30 10 HDEE C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C2=C1CN(CC(=O)NCCOC)C2=O 35968878 QDAIJVULGBWORA-SFHVURJKSA-N 418.881 1.451 30 10 HDEE N#Cc1ccc(NC[C@@H]2CC[C@]3(COCCN(C(=O)c4ccc(O)cn4)C3)O2)nc1 247705985 DSLHGPZCZOMAHC-UWJYYQICSA-N 409.446 1.556 30 10 HDEE S=C(NC[C@@H]1CCCO1)NN=C1C2CN3CCN(C2)CC1(Cc1ccccc1)C3 263632371 GYZRKHBILYGCGK-LVIWNVNYSA-N 413.591 1.476 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)N1CCOCC1 404883073 QMGGVIMYQLTRME-UHFFFAOYSA-N 402.347 1.056 30 10 HDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)CC(C)(C)C)n(C)c1=O 447280563 MPNCMEFZIJVYNL-UHFFFAOYSA-N 423.336 1.451 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCN(C(=O)Cc2cccc(Cl)c2)CC1 464740436 RMKCGEXLWZUSMV-UHFFFAOYSA-N 401.898 1.683 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@](COC)(C(=O)OCC)C3)cc2C1=O 467793775 XEBIJDVRJNMQPL-JOCHJYFZSA-N 414.458 1.901 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCOC(F)(F)F)CC1 473525669 BURLJTNHQYTIPY-UHFFFAOYSA-N 406.386 1.111 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@H](Cc1ccc(F)cc1)[C@H]1COc2ccccc2O1 490976847 WSQBPRUMXFDHED-VQIMIIECSA-N 412.421 1.516 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C#N)s4)CC3)C2=O)n(C)n1 506859866 PQJRUBWAYVOQCX-INIZCTEOSA-N 412.519 1.615 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508638213 NXYFUHOKAMBYJK-RDJZCZTQSA-N 404.492 1.130 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 511137115 CRXCLPFMBPYDJY-IAGOWNOFSA-N 422.551 1.686 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccccc1-n1cccn1 512483703 KUFJQAMQHBVTMB-INIZCTEOSA-N 402.462 1.954 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCN(CC)C(=O)C1 515712538 IDOANFXWCSKUPB-UHFFFAOYSA-N 417.539 1.483 30 10 HDEE CN1CCN(c2ncccc2CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 520763057 QOYUYFXPPQONOO-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)c1 530916021 CICSDULNNCRLFT-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)c1 531395946 NSXRTBYOWSFLHT-UHFFFAOYSA-N 411.483 1.489 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc(N2CCOCC2)c1 532307188 VLVJVZUAPFFGDY-MRXNPFEDSA-N 407.478 1.927 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 555256295 HWPAEDGMJRUHOO-CABCVRRESA-N 412.560 1.205 30 10 HDEE COc1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1C#N 570613442 UFEDZYOEOQTSJC-UHFFFAOYSA-N 414.487 1.783 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cnccc2C#N)CC1 571831105 AJMOUVSWYYLQMD-INIZCTEOSA-N 417.473 1.583 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2cc(OC)ncn2)CC1 571899466 WQQCEZGKPFXRIV-HNNXBMFYSA-N 401.471 1.067 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)CC1 583300559 VZJRGCDBSGUGBA-DLBZAZTESA-N 421.339 1.934 30 10 HDEE COC(=O)CS(=O)(=O)C1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1 585302120 OXFBBGNUOOZGAE-UHFFFAOYSA-N 417.299 1.398 30 10 HDEE CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)N1CCOCC1 585704580 YLRSDDKGDKFUOA-IBGZPJMESA-N 404.486 1.567 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2c(C)cccc2C(=O)N2CCCC2)CC1 605408232 RLWDGDWPBXHTLH-UHFFFAOYSA-N 413.522 1.683 30 10 HDEE N#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 609229071 PKIYUVWUARXQEU-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE CN(C)CCn1cc(NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 610478493 ZTHOEARGHZSYOV-UHFFFAOYSA-N 421.509 1.839 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(COCc3ccccc3)cc2)C1=O 613853063 BOKNSCXKGZWZHX-UHFFFAOYSA-N 421.453 1.996 30 10 HDEE COCCN(CCC#N)C(=O)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 615255505 KZUJHVYXDFCOGZ-UHFFFAOYSA-N 410.478 1.999 30 10 HDEE N#Cc1cc(N2C[C@H](O)CC(F)(F)C2)cc(N2C[C@H](O)CC(F)(F)C2)c1[N+](=O)[O-] 615732318 XIGKXXNCQMZOSW-CHWSQXEVSA-N 418.347 1.879 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1ccccc1 727418769 WWEYEYJKJGYZKQ-OAHLLOKOSA-N 405.479 1.917 30 10 HDEE C#CCN(C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCS(=O)(=O)C1 729334731 BTEHYRYZADROQM-OAHLLOKOSA-N 418.496 1.730 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(Cl)c1 730140228 VFYAXERQCKGUJW-OAHLLOKOSA-N 412.943 1.986 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 742078156 YLZFMAIVQRNTLN-OALUTQOASA-N 414.506 1.859 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCOC(=O)[C@@H](C)Oc1ccccc1C#N 748865157 MGWSJGHJVZHUQK-OMJMQIJPSA-N 404.444 1.849 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 755547276 NRLCSZPMIAEMJM-GOEBONIOSA-N 414.462 1.825 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)c1 757015639 QTCNSFKOBJJZCF-KRWDZBQOSA-N 413.499 1.615 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCS(=O)(=O)Cc3ccccc3)CC2)n1 760669347 NSSWJSUIZGUVRC-UHFFFAOYSA-N 413.503 1.400 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C#N)cc1 767450239 WLQPZRXAGFXJPW-HOTGVXAUSA-N 404.419 1.951 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CCO)CCC1 771737439 JPPIEWGFCZUDRD-INIZCTEOSA-N 407.536 1.809 30 10 HDEE Cc1cccn2c(=O)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cnc12 773773000 ZRDKAQIGKRJDHB-MRXNPFEDSA-N 417.425 1.666 30 10 HDEE C#CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn12)[C@H]1CCS(=O)(=O)C1 774151604 AEMFGYJDTBTRMK-LSDHHAIUSA-N 421.548 1.355 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccccc3COC)cc2C1=O 779308360 SCPVERUDJNKBSO-UHFFFAOYSA-N 414.439 1.734 30 10 HDEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(COC(=O)[C@H](O)c3ccc(C#N)cc3)n21 780214579 MLHLTHOXLFJUOC-GOSISDBHSA-N 403.398 1.538 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780853578 BVOQPJBQQRWWPV-QFIPXVFZSA-N 406.486 1.991 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)c1ccccc1 781597330 HTKGVIRTXPJSKF-MRXNPFEDSA-N 401.419 1.807 30 10 HDEE COc1cnccc1[C@H](C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 783869818 KUODKWGUVSXMEH-STQMWFEESA-N 402.476 1.785 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H]4CCCC[C@H]4N3c3ncccn3)nc12 784727499 GUTASOKUGJRETF-XYPHTWIQSA-N 419.445 1.977 30 10 HDEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@@H]2CCCO2)c[nH]1 789969080 UDDRHJWWMKLEQA-ZDUSSCGKSA-N 415.479 1.422 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(Cc2cccnc2F)C1=O 794442920 WVUFASYZFRKJJQ-KHJVFXTQSA-N 401.467 1.795 30 10 HDEE CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 795925580 UXBDEADYNKPOFH-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE CCOC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804162983 YQVQGVWYISGCAO-BBRMVZONSA-N 404.442 1.687 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806535099 MWMSQFIAKJIBSS-DLBZAZTESA-N 420.473 1.584 30 10 HDEE C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@@H](O)c1ccccc1 808946896 BJZPNYMPRASASJ-KBXCAEBGSA-N 404.430 1.375 30 10 HDEE COC[C@H](C#N)OC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 811363140 NBZPDKXYKMJKNX-TYDNUPFQSA-N 406.438 1.548 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914595015 QDBXVHBHTNSXQP-DZKIICNBSA-N 408.476 1.293 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)CC1 914680266 WNQZEVLMFHNWMQ-CABCVRRESA-N 403.435 1.558 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3c(C)cc(C)cc3C)C2)CC1 914718979 URQAGRKXHVACJD-IBGZPJMESA-N 412.534 1.411 30 10 HDEE N#CCSc1ccccc1NC(=O)COC(=O)Cn1c(O)nc2ccccc2c1=O 915402469 MNMALJILRSMLFX-UHFFFAOYSA-N 424.438 1.900 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC)c1ccccc1 1130319490 JFASIJPYLVHOFD-LJQANCHMSA-N 414.483 1.820 30 10 HDEE N#C[C@]12CN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1134649686 KIKJPXDYIHQJOF-YVEFUNNKSA-N 424.404 1.901 30 10 HDEE C[C@H]1CCc2nc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c(C#N)cc2C1 1134928344 QBKIOAWTCWNNOL-NSHDSACASA-N 400.464 1.161 30 10 HDEE CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H](C)CS(=O)(=O)CC 1136802152 MXRZMWFOIVQQHS-LBPRGKRZSA-N 404.485 1.408 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1OC 1140720295 WOKOJMNMQMGJDL-XAVKZTDYSA-N 409.508 1.447 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)C2)nc1 1141570159 BTWUYQVWWTWBMK-INIZCTEOSA-N 416.459 1.049 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 1143546813 STQFLGIVPKTRHM-UHFFFAOYSA-N 423.427 1.970 30 10 HDEE CN(C)CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1144090626 DPVFMTMUCLKHQY-UHFFFAOYSA-N 419.478 1.993 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)cc2)c1N 1148517153 OKBMQSZGDXTWKV-SFHVURJKSA-N 407.455 1.726 30 10 HDEE C=CCCC[C@H](C(=O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 1160656337 IQDQGTAOZNBOGR-UFYCRDLUSA-N 406.548 1.429 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1163025930 DWFWNBBUZBERPI-PKOBYXMFSA-N 420.531 1.978 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1175669110 KSRBYNAXMCSZOF-UHFFFAOYSA-N 407.536 1.506 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)O2)cc1S(=O)(=O)NCC#N 1179552726 RTRBTNOEZOBWIN-MRXNPFEDSA-N 407.492 1.255 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(CC(F)(F)F)cc2)CC1 1200996265 SBQDZUYWWLXXLZ-UHFFFAOYSA-N 404.414 1.409 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N(CCO)Cc3cccnc3)C2=O)cc1 1253793785 AMNVDQCAUMNTIP-SFHVURJKSA-N 407.430 1.179 30 10 HDEE Cc1csc([C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)n1 1274401642 IDKQSGRNLOETGY-LBPRGKRZSA-N 418.422 1.910 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1286270773 NSDDYDOJOGOHEB-MRXNPFEDSA-N 404.478 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286277380 YGEXIFZDEOYPDM-QMHKHESXSA-N 423.517 1.722 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1286296224 NEXLZTGUEOJVKR-DLBZAZTESA-N 401.536 1.775 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1286348681 NHWRZCUECQSEDI-ZIAGYGMSSA-N 401.471 1.760 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1286362946 LDYIMFUOSLKIMT-LJQANCHMSA-N 403.508 1.491 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1ccn(C)n1 1286402191 BULFLQFDIGAKAF-UHFFFAOYSA-N 402.458 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1286410384 ADHQDWNMELXMAE-HXUWFJFHSA-N 405.550 1.363 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286670213 CEVPXVUNSYNJLA-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286684675 LKWURJBMEYHNQZ-KRWDZBQOSA-N 424.505 1.457 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1C 1286726637 HAVMFMSGLXJCPR-GOSISDBHSA-N 419.551 1.784 30 10 HDEE C=CCn1cc2ccc(NC(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2n1 1289216569 UXLMUNMEUUGIGB-OAHLLOKOSA-N 415.475 1.326 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CC(F)(F)F 1300327272 AEMYVPAKKBZYIR-KKUMJFAQSA-N 403.449 1.954 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300485585 XFLBYZRSKUTITG-JKSUJKDBSA-N 407.565 1.578 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)C(=O)NC)CC1 1300689126 PMAMWPGWNIDFNV-UHFFFAOYSA-N 410.522 1.481 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCC(=O)NCCC)CC1 1300703235 CFDJOMXQJLUQOD-UHFFFAOYSA-N 415.567 1.305 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(N)=O)CCOCC1 1300926177 XYYPIIKUHHEMBW-IRXDYDNUSA-N 421.542 1.687 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1301373111 SIHAZEVTZFBMRU-NHCUHLMSSA-N 405.543 1.564 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@](C)(O)c1ccco1 1302099289 UHEIHKWTASSLJU-SPYBWZPUSA-N 405.455 1.232 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1302427971 NQRJEVOLGBZPRC-AWEZNQCLSA-N 407.521 1.236 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270762 IKYBYEJYUNSSCI-NRTGNBEESA-N 411.524 1.467 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1304910435 IJBNATWQVJCYIO-SJLPKXTDSA-N 424.505 1.822 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)Cc2ccc(OCC(=O)OC)cc2)c1 1307698338 MMOQCUMNQIUFPT-UHFFFAOYSA-N 409.442 2.000 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1313190129 GCGFWXRFJOLUHZ-SFHVURJKSA-N 414.487 1.775 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)CC2(C#N)CCOCC2)CC1 1355420315 QIMRNSDSHHZWEJ-UHFFFAOYSA-N 412.556 1.350 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1358871511 GNWKUBLBAYWZJT-YESZJQIVSA-N 410.588 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1358891020 YMGIHLHKVLMRNW-PBHICJAKSA-N 415.519 1.645 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1358918778 HGPBZRAEMHLCSY-KRWDZBQOSA-N 411.510 1.496 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1359256097 UTIQCBOAUBCYOQ-XMSQKQJNSA-N 422.489 1.445 30 10 HDEE CC(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360402644 NQUMVNUZTPSVPI-MRXNPFEDSA-N 411.466 1.189 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC(F)(F)CO2)C1 1360788075 KQJQTLBYKQFXIA-KSSFIOAISA-N 408.453 1.955 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1450397323 LIAXSEAUUFCHFP-GFCCVEGCSA-N 402.469 1.020 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C 1452755215 HOMFSSHPBIQCMV-DYVFJYSZSA-N 414.487 1.118 30 10 HDEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(CCC#N)CC2)cc1 1454910689 SJSVHSATOFKXAB-UHFFFAOYSA-N 400.508 1.690 30 10 HDEE COC[C@]1(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CN(C(=O)OC(C)(C)C)CCO1 1455037257 GCYKYMZHVKUVFV-GCJKJVERSA-N 415.490 1.794 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1cnn(C)c1)c1ccc(C)cc1)c1cc[nH]n1 1455649639 CIBFEOIMFLGTAJ-UHFFFAOYSA-N 424.461 1.969 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(C3CCOCC3)n2N)c1 1458961518 SJNZWIAPUHZHFR-UHFFFAOYSA-N 400.464 1.308 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2cccc(OC)c2)s1 1465912511 FEQYBXXNDOCVLI-MRXNPFEDSA-N 410.517 1.613 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 1466064512 NTDDUKPSDJOMLG-ULQDDVLXSA-N 406.494 1.846 30 10 HDEE COC(=O)CCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 1466474958 DESCUGDHHMNXCE-KRWDZBQOSA-N 421.538 1.733 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1470021440 YBWVRXHCTDECBQ-UHFFFAOYSA-N 414.487 1.068 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471089637 LNWNZUALSFSEEF-MLGOLLRUSA-N 412.439 1.211 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)CC1 1475697444 NGRQXTBLZNDWOC-UHFFFAOYSA-N 416.565 1.608 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1478912757 RIDMFRJCYUSYMY-UHFFFAOYSA-N 405.524 1.974 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)n1 1479365416 JEFPOFBDWPWGJH-QRKMNUTDSA-N 404.511 1.647 30 10 HDEE CCc1nnc(N2CCC[C@@H]2[C@@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1499085404 HERGNSNKPOBKLB-JVNIUBFMSA-N 400.483 1.515 30 10 HDEE CCCN(CC)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1500794298 AIGUDEDVRRZFJA-GHTZIAJQSA-N 420.558 1.779 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CCS(C)(=O)=O)C1CC1 1507583978 ZAMSXGCVUAXSJN-UHFFFAOYSA-N 419.507 1.433 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1507617510 VBOOBDPEOXITOL-GFCCVEGCSA-N 408.553 1.447 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1noc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1507622863 MNANLBUGCRLRNW-HUUCEWRRSA-N 420.539 1.606 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507634203 XAQZHUFLSWOZNG-RCCFBDPRSA-N 404.536 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC[S@@](=O)CC 1507645561 FZXVSVNSQKVMMR-NDEPHWFRSA-N 400.504 1.804 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1507652315 GYEBCERJESYQNL-FQEVSTJZSA-N 413.485 1.595 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F 1507653322 MSYGOHAJNAJLBT-QGZVFWFLSA-N 400.479 1.635 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnn(C)n1 1507672597 FLOBKVYQDCTKLI-UHFFFAOYSA-N 404.478 1.509 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1507681447 YEEAPAZSHMGSFE-NRFANRHFSA-N 416.478 1.582 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1CC1 1507710307 MYMHAYBBAFWYJO-UHFFFAOYSA-N 402.524 1.734 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC1 1507723531 LOSVDRDNFDXSQI-CVEARBPZSA-N 406.481 1.810 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)C1 1508123437 HZCOLXYONMFQLA-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE Cc1nnc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1511859840 DFTDVJYMCVSFEC-VHEBQXMUSA-N 423.433 1.584 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCc2ccc(C#N)cc2)C1=O 1528527454 JQMWCWOVTAYAHH-QFIPXVFZSA-N 406.442 1.693 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(C(=O)NC)cc2OC)ccc1F 1529490247 YQJXIZPTDDAFOC-UHFFFAOYSA-N 421.450 1.911 30 10 HDEE Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)ncc1C#N 1530598738 CXQARALXWNKMIV-UHFFFAOYSA-N 404.423 1.674 30 10 HDEE C#CCN1CCC(C(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)CC1 1538474519 RMZWCCGRXNFKMP-QGZVFWFLSA-N 403.548 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1538965689 PWSOCPMJFAMINM-HOTGVXAUSA-N 404.478 1.842 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1539193706 HZDQPPHBAOJBFA-IBGZPJMESA-N 421.549 1.824 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539201906 CPDYTMPCDZISBC-XDNAFOTISA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1539242406 UDXATZUNTHFYHW-QHCPKHFHSA-N 415.501 1.475 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1occc1C 1539257446 JWBPDFMGOKWOGE-UHFFFAOYSA-N 405.462 1.473 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1539417327 DCDLLFVSTPDAIP-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@H]2COCCO2)CC1 1539476510 ZGGMPIGTJZLBGQ-SFHVURJKSA-N 424.505 1.111 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCNS(C)(=O)=O 1539563497 NDQJCQXZABERDN-OAQYLSRUSA-N 415.563 1.995 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1539704785 IYIHLGGSQRBROF-QGZVFWFLSA-N 410.526 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@@H](C)C1 1540867462 XBQLBPLQVIOHPA-HNNXBMFYSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCOC2(CCOCC2)C1 1540867748 GIKMWNILMSMTMN-UHFFFAOYSA-N 415.469 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOC2(CCCC2)C1 1540905584 TXOWDPOTWHPLSQ-INIZCTEOSA-N 410.540 1.532 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1540906968 ICTUBRIOYBUAGO-MRXNPFEDSA-N 410.540 1.611 30 10 HDEE Cc1c(Cl)cccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1542124172 GCPXQKCUZFXGGR-GOEBONIOSA-N 400.870 1.968 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1544402245 HRNHNMWIGHKOJV-IBGZPJMESA-N 408.433 1.886 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1544784837 KWYPFUPMMKDPFX-IMJJTQAJSA-N 406.460 1.083 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1544786379 MPMWXVGJZRHQMU-SNVBAGLBSA-N 422.235 1.349 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1554682546 FDIAIAGFDLXEBO-HXUWFJFHSA-N 407.482 1.784 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1555736735 AIGDGNLHKLZPJH-HSSOGYSNSA-N 405.499 1.282 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2Cc3ccccc3N(C)C2=O)s1 1557449400 VDFVEYGVWSZFOZ-HNNXBMFYSA-N 419.528 1.459 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1558707432 PFSJRDMCTZPCII-FMPZLKCCSA-N 421.494 1.564 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl 1561149389 SSUWUHQJHCTXEU-SECBINFHSA-N 416.830 1.565 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC)[C@@H]1CCCO1 1563027812 BKDIQKMHIXKRNC-MJGOQNOKSA-N 421.519 1.572 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C2CC2)C3=O)cc1 1568181304 PJWFKBRPJLLAPI-UHFFFAOYSA-N 415.427 1.043 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1583345437 SJGNOVYRNYTFSY-HSZRJFAPSA-N 405.454 1.967 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1583818201 YHOWSEQEVWBSLT-MSOLQXFVSA-N 402.495 1.601 30 10 HDEE CO[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1Br 1585296265 KBIZPNPLCMHQEL-VZHUHSAUSA-N 408.252 1.779 30 10 HDEE C#C[C@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1586729621 DKSZWNYZTCSNDU-BZNIZROVSA-N 419.275 1.978 30 10 HDEE C[C@@]1(C(=O)N2CCN(CCC#N)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1587545888 GRBWOQMMLBPFFP-NQIIRXRSSA-N 400.479 1.206 30 10 HDEE N#Cc1cn(CCC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)c(=O)nc1O 1587558395 DDZWAONPXZUINN-HNNXBMFYSA-N 421.457 1.354 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1588028956 AZZQDRKTZATKCY-KDOFPFPSSA-N 412.581 1.070 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCCOC)CC1 1588750410 DCWTXGNGRMENFQ-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1595687588 AMKGKPUNPNMVEN-SFHVURJKSA-N 405.466 1.675 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1596530928 GBNBOFIWDLAZNB-IEBWSBKVSA-N 421.505 1.448 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ncc4c(n3)COC4)CC2)cc1 1596721066 LOBVFRMAZIWNAV-UHFFFAOYSA-N 413.459 1.418 30 10 HDEE Cc1ccc(C(=O)N2CC(n3cc([C@H](C)O)nn3)C2)cc1B1OC(C)(C)C(C)(C)O1 1611166576 WFZLCTUPRCPUAE-AWEZNQCLSA-N 412.299 1.636 30 10 HDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CCS(=O)(=O)Cc2ccccc2)N(C)[C@H]1C 1615629182 GZHSMDIYMAERAA-GYXYWSMKSA-N 412.533 1.873 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)CC1=O 1615827053 AAYIIXXAKSTAPC-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc3ccc(OC)cc3[nH]2)cc1 1617162943 OMOOEEVXJCNTIM-CYBMUJFWSA-N 412.471 1.974 30 10 HDEE Cc1nnc(S)n1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1618107715 NAYOPSFFNYHHLE-GFCCVEGCSA-N 404.883 1.570 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)c1 1619131120 XTAOWLRSSRMHTO-VLIAUNLRSA-N 414.441 1.683 30 10 HDEE CC(C)(C)OC(=O)[C@]1(NCC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCOC1 1619922698 JSIVPKDLKMOFBS-NRFANRHFSA-N 411.462 1.773 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCSC1 1620018955 IULYHBKICXQCPI-NUJGCVRESA-N 420.583 1.932 30 10 HDEE N#CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCSCCCO)CC1 1620353625 PHUOAOKPLNNPHN-UHFFFAOYSA-N 418.523 1.861 30 10 HDEE C=C(C)CONC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1622789163 FRFDHEIPZXAPBV-AWEZNQCLSA-N 411.480 1.890 30 10 HDEE C#CCN(C)CCCNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1625359953 NSWIPNLUQNPQED-UHFFFAOYSA-N 414.510 1.481 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc2c(Br)cnn2c1 1627264155 BWVDJMQAFJONEG-PEZBUJJGSA-N 404.224 1.353 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1629894217 DIVIOASVJBFFHS-PKOBYXMFSA-N 420.598 1.816 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)cn1 1630714326 GIZQYGFLYKDHQG-MJGOQNOKSA-N 401.467 1.651 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccccc2OC)c1 1630962023 AXIILRKLFXFKBJ-OAQYLSRUSA-N 418.515 1.883 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1633222928 SHGQIFLPPACGIW-CQSZACIVSA-N 402.451 1.866 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)CCOC1 1633316787 OFFKIQPGCQVARK-DENIHFKCSA-N 415.490 1.438 30 10 HDEE N#C[C@@]12CN(C(=O)NCCOc3ncccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1633363374 BQMJXKSAXYTKEY-NHYWBVRUSA-N 418.397 1.059 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 1634555304 VALFUUAOBUXKFQ-MRXNPFEDSA-N 409.577 1.996 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C(=O)OC 1635158929 OHDUOCYYAUWJHI-ZIAGYGMSSA-N 412.236 1.391 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1635450049 FFTCJPHOGGYYRO-CVEARBPZSA-N 406.487 1.603 30 10 HDEE C#C[C@H](NC(=O)N(CCO)CCN1CCOCC1)c1ccc(Br)cc1 1636561384 AWVUIZVTDNPRCY-KRWDZBQOSA-N 410.312 1.460 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1638803715 KEGPBJFTHPKDBU-HNNXBMFYSA-N 401.486 1.492 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](CO)Cc2cccc(F)c21 1639583831 LCPRZFYYDGJRNL-HIFRSBDPSA-N 417.462 1.562 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1C#N 1640564441 WQHZRYVWSGDNPI-UHFFFAOYSA-N 406.464 1.007 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 1642497641 AOMIYEOAWPITLN-CQSZACIVSA-N 415.519 1.570 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)c1 1643584051 ZBNIIXNFMARGMJ-NRFANRHFSA-N 408.389 1.922 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 1644947737 IADNLIMSPASLJX-GOSISDBHSA-N 403.548 1.610 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OC 1645503807 WGFPUIHENCAEQG-CYBMUJFWSA-N 400.435 1.539 30 10 HDEE CN(CC(=O)N(CCC#N)CCC#N)C1(CNC(=O)OC(C)(C)C)CCOCC1 1648452604 GFVQHRTWQUOGQL-UHFFFAOYSA-N 407.515 1.648 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648939857 BWPWZBUOFRYSJX-IBGZPJMESA-N 422.526 1.940 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)cc1S(=O)(=O)NCC#N 1651324374 FLJKKYNKZPNQIV-QGZVFWFLSA-N 421.906 1.784 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccc(OCc3ccccn3)c2)c1=O 1652525003 PRWHMCRTXQPAGQ-UHFFFAOYSA-N 406.442 1.566 30 10 HDEE C[C@]1(c2cccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1652919007 CVCXHNJYHPSKNU-PGRDOPGGSA-N 404.426 1.827 30 10 HDEE C#CCC1(O)CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)CC1 1654620286 QNUQHWCIYFYRDX-UHFFFAOYSA-N 413.561 1.494 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1655734015 WEOOAAJTBMZEFM-AUUYWEPGSA-N 414.487 1.606 30 10 HDEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1ccc2c(c1)C(=O)NCCO2)C(C)C 1662809936 FEUHDGMEEZYDEB-GOSISDBHSA-N 407.536 1.786 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 1664311572 KWYJCSMNEXQXIB-UHFFFAOYSA-N 405.289 1.973 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1666217161 JXSQSEACZFXIHS-UHFFFAOYSA-N 414.549 1.522 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)C1CCOCC1 1674590317 KEXGZBNLBPWBJO-HXUWFJFHSA-N 412.534 1.943 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1682226036 AZRHWIPLJFTNLX-MIALQEHNSA-N 413.522 1.456 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1682362332 YINADGJYVWHNOV-MSOLQXFVSA-N 400.527 1.353 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1687426607 MXKWXQPWBJZCQX-LJQANCHMSA-N 420.554 1.656 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1689839908 OXBXSAGABZRSOM-ZDUSSCGKSA-N 408.915 1.487 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1cnc2ccccc21 1689946074 MMTFKPCAXIHISD-HNNXBMFYSA-N 415.523 1.398 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689990187 MPYSLLBREMKXMF-DLBZAZTESA-N 422.551 1.104 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690532509 PJZBXGQRUWYQCJ-IAGOWNOFSA-N 404.559 1.911 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690659531 VTQQLJSRTYLSGX-WBVHZDCISA-N 418.542 1.504 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](COC)C1 1690666253 XUMTVOTXALTKRJ-QGZVFWFLSA-N 422.489 1.647 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1693866551 GGESBHWFQHHNFR-CABCVRRESA-N 415.498 1.465 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1698223344 NISCFDGHLPMBSM-QFBILLFUSA-N 415.494 1.720 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705580691 OTBTTXOVIVMPHF-UHFFFAOYSA-N 409.457 1.950 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)C1 1705695814 CPXQHTHJILOFAB-IHRRRGAJSA-N 419.498 1.715 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1705836028 BRTDXQBAJKSHKV-CQSZACIVSA-N 401.467 1.872 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1)C1CC1 1705854081 IKXWRNXNJWOXBP-AWEZNQCLSA-N 419.507 1.358 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1706075173 KMXNWVAXIPBRFD-CHWSQXEVSA-N 405.471 1.448 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1706076662 BLFHSXIVMLQOBA-MRXNPFEDSA-N 419.493 1.625 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC=CO2)CCOC1 1706680577 SDPKREROVFEVFX-SQGPQFPESA-N 403.483 1.740 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1709339502 DOGFYNKQEFDFCJ-MEUCICPISA-N 423.477 1.482 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722314901 RDZADUYESKCGQB-UHFFFAOYSA-N 419.533 1.830 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(C)=O)C1 1722315892 VRCYNMYTZXLWRT-INIZCTEOSA-N 412.494 1.914 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722318600 CZKSDXGCJSMXAY-UHFFFAOYSA-N 418.505 1.654 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722351638 AKMVEQLZKKWXKK-VQTJNVASSA-N 422.533 1.681 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2ccnc2C)CC1 1722437526 DXSIJWWVJJKQGY-UHFFFAOYSA-N 404.522 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2nncn2CC)CC1 1722447012 GREJUAMQEVZTHI-UHFFFAOYSA-N 412.542 1.492 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1722464267 ZTGKJGMAVDXBGT-HNNXBMFYSA-N 413.613 1.708 30 10 HDEE C#CCSCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1722464744 QNMVSSYESJBHQQ-VQIMIIECSA-N 410.540 1.148 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1722577382 FQNAIDOPBMRVHJ-FQEVSTJZSA-N 416.570 1.739 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C1CC1 1723635830 BWVRDSWXQAXAFA-UHFFFAOYSA-N 409.494 1.304 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1729396309 CJWAZCQXUBTFKV-OXJNMPFZSA-N 412.519 1.605 30 10 HDEE CO[C@]1(C)CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1729912662 XRWXWERAMBRXHC-FZKQIMNGSA-N 422.511 1.407 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCSCCCO)CCN1C1CC1 1731190335 PYVMMTGBOBNUCF-MRXNPFEDSA-N 401.540 1.565 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740579386 OGTDTTKWNPHLQK-AWEZNQCLSA-N 404.496 1.208 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740606882 VUIFUCONYZZJIE-ROUUACIJSA-N 408.485 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](CC)OC)CC1 1740705469 HUCNBNAJQHMICN-MSOLQXFVSA-N 403.527 1.911 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC(=O)NCc1ccco1 1740726307 XELKGRSQHKBUKE-IIBYNOLFSA-N 415.494 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740753250 HDGJGTKQTBTTRG-PMPSAXMXSA-N 400.487 1.100 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740874191 PAGYPENJCSJLTQ-RBUKOAKNSA-N 415.586 1.800 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C)o2)nnc1[C@]1(OCC)CCOC1 1740964293 ARKWVHGEAWZHJH-FQEVSTJZSA-N 403.483 1.770 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1740985086 BDYHGGGGKZPFDH-IBGZPJMESA-N 420.539 1.245 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CC=CCC1 1741800032 SSTXHBSPYWWQQR-QGZVFWFLSA-N 418.509 1.921 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(N(C)C)c1 1741904065 HRORSAHDCFDPDC-GJZGRUSLSA-N 419.555 1.741 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1742001749 FWNACWVDGMSXEU-HZPDHXFCSA-N 407.540 1.735 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1747534524 DFHMQVUKFQSXSB-UHFFFAOYSA-N 419.493 1.345 30 10 HDEE C#CCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764384 MOJIYVNWDGXQMK-SFTDATJTSA-N 401.511 1.449 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748799386 RHDLYDJDANPHTH-HXUWFJFHSA-N 412.519 1.350 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1748926566 FTRSWCXJQYHSML-VQTJNVASSA-N 422.533 1.304 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749210884 PSXATIDTCKPQND-UHFFFAOYSA-N 413.526 1.815 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1750340569 PJPFOOGOEMYXJH-FHLIZLRMSA-N 415.519 1.865 30 10 HDEE CC1=CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1751712234 HBAQXAUNYHNPRI-CZIZESTLSA-N 407.478 1.966 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1752347608 QNGWYSKSROLXCR-YESIBHTGSA-N 416.482 1.271 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1760097328 CVGZJIYIOMOOMX-OGHNNQOOSA-N 411.553 1.315 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760143894 WGFCXMAYGBNISO-QGZVFWFLSA-N 409.556 1.841 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cccc(Cl)c2n1C 1760201805 JPVPXNCBNQIURH-MRXNPFEDSA-N 421.892 1.890 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760355819 XFBDKBKGQKUSEY-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccco1 1760516479 OICJORJXNHVCIM-UONOGXRCSA-N 422.511 1.125 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760552506 QFYHTSHZPVCCIT-WMZOPIPTSA-N 419.551 1.890 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1760692197 AHUVFOJBFFISGS-LLVKDONJSA-N 424.383 1.948 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1760852279 NOMOZWKFZZINOF-UHFFFAOYSA-N 412.494 1.462 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)CC1 1769150428 GTOHROALEQBKHV-UHFFFAOYSA-N 424.505 1.463 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)[C@@H]1CCN(C)C1=O 1849165723 HVBKRSVFDJRGHO-MSOLQXFVSA-N 405.520 1.475 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CS(=O)(=O)C1)c1cccc(C(F)(F)F)c1 1852339926 WOCLOZKZRFGQDW-UHFFFAOYSA-N 407.439 1.958 30 10 HDEE Cc1nn(CC(=O)N[C@@H]2CCc3c(C#N)cccc32)c(C)c1S(=O)(=O)N(C)C 1852382027 BWODUDAAEGRVGW-QGZVFWFLSA-N 401.492 1.426 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCC(=O)N2CCOCC2)c2ccc(C)cc2)CC1 1853416272 QNMATYFPKUCSHB-UHFFFAOYSA-N 421.519 1.560 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854048412 GCEQHSCMWNGPNA-ROUUACIJSA-N 403.504 1.127 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCn2ccnc2C)C1=O 1854301825 KRBUXRCJJZOSCK-QZTJIDSGSA-N 401.511 1.208 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2Cc3ccccc3O2)C(=O)C12CCCCC2 1854401582 PSDXCHGACHWBQB-KRWDZBQOSA-N 417.487 1.217 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(C[C@@H]4COCCO4)CC3)CC2=O)cc1C#N 1854472687 BKTDRTMGSWIKHQ-LEWJYISDSA-N 411.502 1.983 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1854683557 ZCHLXZHODZAXNC-HNNXBMFYSA-N 419.503 1.104 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nccc4ccccc34)[C@@H](C)C2=O)CC1=O 1854888959 VEBJDIPFRUXFQU-FUHWJXTLSA-N 406.486 1.829 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1cc(=O)n2ccccc2n1 1854906767 XMSAFTYOBGWFAT-HNNXBMFYSA-N 401.426 1.439 30 10 HDEE C[C@H](Cn1cnc2c1CCCC2)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855006334 KWDPCTVKUJLAQZ-MSOLQXFVSA-N 412.538 1.057 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(CCn4cccn4)CC3)CC2=O)CC1=O 1855111583 FGCRWYJXACUWNO-RBUKOAKNSA-N 413.522 1.005 30 10 HDEE CCC(CC)C(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098352 FPEXFLFEOXVJOG-FQEVSTJZSA-N 410.518 1.922 30 10 HDEE C=CCCN1CCN(C(=O)c2cnc3sc(C)nn3c2=O)C(=O)C12CCCC2 1856254064 RDSTUNWCZXSDRR-UHFFFAOYSA-N 401.492 1.633 30 10 HDEE CC(=O)[C@@H](C(=O)N(C)C)N1CC(=O)N(C(=O)c2ccc(C#N)cc2)c2ccccc21 1856703438 SLAPJUSJSFOBKU-FQEVSTJZSA-N 404.426 1.597 30 10 HDEE C[C@@H]1CN(Cc2cn(C)nn2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1857080427 NBACXMAPFJOTBK-CQSZACIVSA-N 401.430 1.911 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@@H]3Cc4ccccc4O3)C2=O)C1 1857111951 NPQCNOYOQBDNEI-PXNSSMCTSA-N 404.426 1.147 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@@H](C(=O)Nc3ccccc3C#N)C2)s1 1858424660 FFRLXRIQMCNGMJ-GFCCVEGCSA-N 420.476 1.017 30 10 HDEE C=CCN1C(=O)c2cccc(OCC(=O)NS(=O)(=O)c3ccc(C)cc3)c2C1=O 1865827267 CEQVOZRCRINAEG-UHFFFAOYSA-N 414.439 1.661 30 10 HDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN(CCOC)CCOC 1870515037 MLRLBFVECJUGTM-UHFFFAOYSA-N 423.554 1.766 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCOCCO)n2CCCOC 1873587040 BKAISSCOINHTGM-UHFFFAOYSA-N 417.510 1.385 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873594176 NXQHLXRMTIIESE-UHFFFAOYSA-N 422.537 1.843 30 10 HDEE CCCN1CCN(c2ccc(N3CCN(C(=O)c4ccnc(C#N)c4)CC3)nn2)CC1 1890221604 SAXHCLHKXZQMMR-UHFFFAOYSA-N 420.521 1.238 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1OC 1982283498 NXGWJTVMBQCINT-NWDGAFQWSA-N 413.334 1.839 30 10 HDEE C#CCC[C@@H](NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984839542 LGNGPKLAYMRXHR-MSOLQXFVSA-N 417.506 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985101015 MQXGSPSKSITSJZ-ZDUSSCGKSA-N 404.276 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2118166078 BYEGEZAZXXSGKT-RUZDIDTESA-N 400.482 1.359 30 10 HDEE COC[C@]1(NS(=O)(=O)N2CCC(C#N)CC2)CCN(C(=O)OC(C)(C)C)C1 2174788758 IOYPDUHRGNZNGY-KRWDZBQOSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ccc(S(N)(=O)=O)s1 2181129690 JDPMKPRFJKJLSU-GFCCVEGCSA-N 416.525 1.599 30 10 HDEE CC1(C)OB(c2cnc(N3CCN4CCOC[C@H]4C3)c(Br)c2)OC1(C)C 2185881071 HPHBMVDMJZZXRU-CQSZACIVSA-N 424.148 1.664 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(C#N)sc2[N+](=O)[O-])[C@@H](S(C)(=O)=O)C1 2192680104 WTXQWXIMBGCPDR-RYUDHWBXSA-N 416.481 1.972 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243380117 UPPBXFWZDWSBNM-SQWLQELKSA-N 408.304 1.808 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387676 YSHOCIJWBQVNAI-RYUDHWBXSA-N 406.292 1.352 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2243422257 ZBJVWUQCRCQQHS-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC(O)C1 2243698276 QRBDCYMROUWEPH-UHFFFAOYSA-N 408.304 1.403 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1C(=O)OC(C)(C)C 2247910383 LZCDYKRQQQDVKJ-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373078 YKKRDUMGHMHDRY-APXPCNQMSA-N 407.388 1.483 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281965167 HXPJEMPSVVIMLS-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)N(CCN)CC(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282303914 CNMQTGXEBWEKMM-UHFFFAOYSA-N 410.317 1.570 30 10 HDEE C[C@@H]1CN(C)C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282310592 WJIJRVZHBKDHOV-ZYHUDNBSSA-N 420.793 1.929 30 10 HDEE CCN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](C)C1 2282337535 LQRSQKOAHWABNP-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CN(C)CCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282413910 LHFXFECSNZNDLZ-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CC(C)[C@H]1NCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501002 QVYNFCPKHYCCTA-DZGCQCFKSA-N 400.375 1.712 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2282551757 LWOUQTSWRYMZTN-UKRRQHHQSA-N 405.304 1.333 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282610378 VXMFLHAUTGHIGH-NSHDSACASA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3C[C@@H](CO)CO3)sc2Cl)OC1(C)C 2282611262 IVHARVIQHBHXBM-WDEREUQCSA-N 401.721 1.828 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC[S@@](C)=O 2282826187 PTDQCWINNUIVHA-RUZDIDTESA-N 401.359 1.341 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@](C)(O)C(F)F 2282834694 MNSTWKAXXHCBIL-OAHLLOKOSA-N 411.301 1.650 30 10 HDEE CS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837996 YYGUVVKBSGSXFD-QWHCGFSZSA-N 401.363 1.282 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cscc1Cl 2282854978 XYYRFMBXAZHZFW-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@@H]3CN)ccc2Cl)OC1(C)C 2282874401 ZXTFEWOLNTWMIL-VXGBXAGGSA-N 400.737 1.512 30 10 HDEE COC[C@H]1C[C@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884451 ODFVBHHAKBWGCE-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401208 FRCRMRROKVVMKL-MFKMUULPSA-N 403.331 1.825 30 10 HDEE CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284402090 LKFITJPKBSHVNC-LLVKDONJSA-N 403.331 1.921 30 10 HDEE COC1(C#C[C@@H](O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363630436 USUXJEWLFBJKCU-JKSUJKDBSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCC1(C)C 2365202996 QRRPCSWBHWPNJV-AUUYWEPGSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367784638 BXBDYHZOJQCXCT-CABCVRRESA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367830785 LVDAIKVRCHZVBS-CABCVRRESA-N 402.557 1.457 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 27560095 GEYMTPCHBZSZPN-UHFFFAOYSA-N 413.522 1.062 30 10 HDEE COc1cc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)cc(OC)c1OC 34168025 ZUORJSLRDVQWLD-UHFFFAOYSA-N 411.462 1.740 30 10 HDEE N#Cc1ccnc(-n2cnc(I)c2I)n1 306889172 SWJIPDNFGYPADN-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 404947323 SZFAVYUZCQCMTD-JTQLQIEISA-N 403.693 1.942 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 410217921 IFYLKZBGIMDMME-OKZBNKHCSA-N 406.508 1.359 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)cc1C#N 427254783 ARIOHKYRCJWKIN-UHFFFAOYSA-N 400.460 1.971 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H]1CC[C@H](O)CC1 439298632 VGEMGQKXWKFHGP-WKILWMFISA-N 413.478 1.690 30 10 HDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1C#N 460581900 ZUESZYOGKIPYTP-UHFFFAOYSA-N 416.459 1.120 30 10 HDEE C=CCCCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 473347446 SXQXDARYBIDYHI-UHFFFAOYSA-N 408.524 1.034 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)cn1 474202397 BAVFWXQBQAEHPL-UHFFFAOYSA-N 413.503 1.278 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCS(=O)(=O)NCc2ccccc2)c(F)c1 481028304 YNJIESVUJUQDDB-UHFFFAOYSA-N 411.480 1.236 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)[nH]c2c1 484060090 KRSDBSPXBRDPEY-UHFFFAOYSA-N 402.458 1.708 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 502376159 FVOGYLNLIGQTFB-OAHLLOKOSA-N 402.499 1.730 30 10 HDEE CN1CCN(CCOc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 505040381 SVRBKBWWTFNHBV-UHFFFAOYSA-N 413.522 1.404 30 10 HDEE CCN(C1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 506332156 LZHPGBFVUWGWTJ-GOSISDBHSA-N 401.529 1.521 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508466507 UZJHXNUDOOAIMT-JTQLQIEISA-N 421.449 1.463 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCC(CNS(C)(=O)=O)CC2)c1C 510273139 ZGDXRUYHEBJGJI-UHFFFAOYSA-N 406.552 1.811 30 10 HDEE COc1ccnc(N2CCN([C@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)n1 513444580 VQKPNGCQSVGQPD-BQIYRTECSA-N 400.527 1.927 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)n1cnc(C#N)n1 539503544 DHHXQHBGYVDMRU-NSHDSACASA-N 424.870 1.024 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cc1 543718827 ACAAGSCNNRDZCP-HXUWFJFHSA-N 413.499 1.973 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@](O)(C(F)(F)F)C1 544159599 KDGMMZBVWBIYRE-INIZCTEOSA-N 401.341 1.048 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1OC 545387579 XAYLKWOTTWQKRI-UHFFFAOYSA-N 421.519 1.875 30 10 HDEE N#Cc1cc(C(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)cnc1C(F)(F)F 550112153 AWTREEHWHRRGOU-UHFFFAOYSA-N 405.336 1.671 30 10 HDEE COc1cc(CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1C#N 573052491 FDJPIWWMGSWFGK-KRWDZBQOSA-N 414.487 1.829 30 10 HDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1ccccc1 585088874 DTPQJAJOQDKPOQ-IBGZPJMESA-N 419.483 1.372 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(N=c3cc[nH]cc3)nn2)CC1 585485461 BJAHOOWPGILRCY-UHFFFAOYSA-N 421.486 1.420 30 10 HDEE COc1ccc(CN2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c(OC)c1OC 589214309 KBPUALOXSGMDAY-UHFFFAOYSA-N 423.535 1.854 30 10 HDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1 603798196 JRNUXVYEDIVZFZ-SFHVURJKSA-N 423.538 1.487 30 10 HDEE C(#CCN1CCCC[C@@H]1CN1CCOCC1)CN1CCCC[C@H]1CN1CCOCC1 671241595 WSFNHRNKSYPQKO-PSWAGMNNSA-N 418.626 1.363 30 10 HDEE CCn1c(=O)c(C(=O)CN2CCC[C@@](C)(C#N)C2)c(N)n(Cc2ccccc2)c1=O 680104716 NVPWGZYSUCWUGF-QFIPXVFZSA-N 409.490 1.469 30 10 HDEE CC(C)(C)OC(=O)NCCNc1nn(-c2ncc(Br)cn2)c(N)c1C#N 690950782 AZFMQVYYZKCZAZ-UHFFFAOYSA-N 423.275 1.815 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCNC(=O)C[C@H]2c2ccccc2)C1=O 726586302 IDSKWGGJWGPDLJ-FQEVSTJZSA-N 417.469 1.843 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 740785383 GBQLPTNBUGYCJW-OAHLLOKOSA-N 407.492 1.066 30 10 HDEE CN(C(=O)CN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1)C1CCCCC1 742401243 QUVBMNOATDBEBA-UHFFFAOYSA-N 419.551 1.119 30 10 HDEE C=CCn1c(-c2ccco2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 744440140 IJXREYCDWNKHCA-UHFFFAOYSA-N 413.507 1.733 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)c1 748572488 HBSIRHFMVQYEPB-YYZBOFOMSA-N 414.462 1.315 30 10 HDEE Cc1noc(CCNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 751388048 LINJPJALWGQTGH-AWEZNQCLSA-N 405.480 1.190 30 10 HDEE C#CCN1CCN(C(=O)CN(C)C2C[C@@H]3CC[C@H](C2)N3C(=O)OC(C)(C)C)CC1 752047186 SBGNROKPPRULFE-DFNIBXOVSA-N 404.555 1.626 30 10 HDEE Cc1cc(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)n(CCC#N)n1 755126527 UDTYKSOSSQEWGN-CQSZACIVSA-N 404.471 1.559 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@H]2C)C1=O 756874920 FIYUHWCEJUNIGS-OPAMFIHVSA-N 419.489 1.674 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@]1(CCO)CCOC1 762775188 BTHFPIWNFYWUAW-JXFKEZNVSA-N 423.535 1.045 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)c1 763459670 BEXAOUUINLEAPH-UHFFFAOYSA-N 418.522 1.758 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)cc1 763787130 OQJHMYQGQBQMFG-FUHWJXTLSA-N 420.487 1.709 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCN2C(=O)OCC[C@H]2C1 764435990 FAVQWERVRPMKAY-INIZCTEOSA-N 403.483 1.478 30 10 HDEE COCc1ccccc1S(=O)(=O)NC(=O)CCc1c(C)nn(CCC#N)c1C 779307530 FBRYMKIYLWMVJL-UHFFFAOYSA-N 404.492 1.998 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2cccc(C(=O)NC3CC3)c2)cc1 780204850 IZKUZJKUJSLVBO-FQEVSTJZSA-N 407.426 1.343 30 10 HDEE Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 791982160 SKGMDMNLXRKXMN-HKUYNNGSSA-N 424.526 1.868 30 10 HDEE C=CCN1CC[C@@H](OC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1=O 798593287 CKGONKRSUJVLSL-LLVKDONJSA-N 403.254 1.040 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)N2CCO[C@H](C#N)C2)cc1 800080481 COENEPGCTDYSIQ-RHSMWYFYSA-N 424.523 1.831 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCOCC2)C1 816299264 BLCGDGJWAPTHNL-INIZCTEOSA-N 405.520 1.923 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccoc2C)n1)[C@@H]1CCS(=O)(=O)C1 918755960 IFNUTCHGTCOLGW-CQSZACIVSA-N 421.500 1.488 30 10 HDEE CC(=NNc1nnc(SCC(=O)Nc2nc(C)cs2)n1N)c1ccncc1 1084498486 AMZBQKGHOUQVBI-UHFFFAOYSA-N 403.497 1.719 30 10 HDEE C=CC1(CC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)CN(C(=O)OC(C)(C)C)C1 1141971854 UFIBELCNPBUFBE-GJZGRUSLSA-N 414.524 1.214 30 10 HDEE Cc1nc(CNC(=O)COc2cccc(Br)c2C#N)sc1C(N)=O 1143578394 NRTARZVDZHYIOM-UHFFFAOYSA-N 409.265 1.880 30 10 HDEE CCCCCCN(O)C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1161819414 SKZQAXCAYFUECC-UHFFFAOYSA-N 411.524 1.951 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCc3sc(S(N)(=O)=O)cc3C2)cc1 1174742898 WBKQBSYVMOPTHL-OAHLLOKOSA-N 407.517 1.260 30 10 HDEE COc1cc(Br)cc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1177347227 XXAYJDCHNGQJRE-UHFFFAOYSA-N 407.224 1.298 30 10 HDEE N#C[C@@]12CN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1198085404 TVJUTOVDIGIOCT-PJODQICGSA-N 405.303 1.603 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1225938751 SGELHNHTACIRAJ-XJKSGUPXSA-N 416.482 1.450 30 10 HDEE C#CCN(C(=O)c1oc2ccccc2c1CS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1 1251654197 WMTPQDMCIWXIHB-ZDUSSCGKSA-N 409.485 1.240 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cnn(CCOC)c1 1286401532 OMPYLBKJNGHPMO-UHFFFAOYSA-N 419.445 1.817 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCCCC2)CC1 1286480695 ZFVXJALECUBNBO-QGZVFWFLSA-N 400.527 1.334 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(CC)c2)CC1 1286485565 PYUZOAIPXFDTIR-OALUTQOASA-N 413.526 1.022 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(C)no2)CC1 1286490511 MJKJKSBANBKEAI-UHFFFAOYSA-N 419.489 1.959 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286722449 XOXZKGGCBVJGMC-UHFFFAOYSA-N 401.471 1.651 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1286745939 ZEQSORYZVBZBQR-UHFFFAOYSA-N 413.511 1.340 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)CC(C)(C)C1 1286781301 WTJKWJDVFZEYFQ-KGLIPLIRSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286782834 ASCCGCMPMHSXCI-OAHLLOKOSA-N 419.489 1.462 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCO[C@H]2CCOC2)C1 1286809386 RVKZCVOCWVAKIE-IRXDYDNUSA-N 400.483 1.712 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1286819624 QIEMOBFDWGHFFZ-INIZCTEOSA-N 422.555 1.187 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1286966148 XQLOOQQIZOZGMQ-STGLLQLASA-N 406.450 1.462 30 10 HDEE CO[C@@H]1CC[C@H](C)N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1287763648 VEYSPKFIUNRHGS-MAUKXSAKSA-N 405.520 1.985 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCC[C@H]1C 1288804087 GMHVDAOALQWRBA-GLJUWKHASA-N 410.544 1.179 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(N)c1 1293349357 HOXUODNKJOEJKR-KRWDZBQOSA-N 412.515 1.913 30 10 HDEE CCOCc1nnc(N2C[C@@H](OC)C(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1297109922 AOKUAOSNGYEXBN-ZDBRSUKYSA-N 418.498 1.202 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 1297349924 KFHCPHDWXGMVHR-CQSZACIVSA-N 401.529 1.999 30 10 HDEE C#C[C@H](CO)NC(=O)c1csc(I)c1Br 1298581578 JOCNNPRADWNWFY-RXMQYKEDSA-N 400.035 1.839 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)SC)C[C@H]1O 1299413739 QZPUNLFDVAXNJD-KBRIMQKVSA-N 415.519 1.928 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1299455355 ARODZASUTZUPMN-HRAATJIYSA-N 407.511 1.343 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC 1300283576 NNJGIZOQUSZXSQ-OAHLLOKOSA-N 405.524 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)nn1C 1300303244 HVAGEYOPZZTIJV-HNNXBMFYSA-N 416.489 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1300309804 VKTDFTPUSQJMKA-UKRRQHHQSA-N 416.507 1.177 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300467702 KGRUGIAOHICFCG-QFIPXVFZSA-N 416.529 1.948 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1300485618 XQABKVYOLCYIQE-SFHVURJKSA-N 401.536 1.974 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300506157 NRESXQJOWMPTHB-XMSQKQJNSA-N 411.506 1.315 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(C)c1 1300676003 YDLWLUVIHYWUIF-UHFFFAOYSA-N 413.507 1.137 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCCC)nc2)CC1 1300699374 BZOHLTIKBOXXRM-IBGZPJMESA-N 410.522 1.769 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)CC1 1300831039 QGOQALHWNDOTSW-GFCCVEGCSA-N 407.334 1.479 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1300885663 ROUYHBPKWVNSCR-BBWFWOEESA-N 410.540 1.388 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O 1301391730 XQQLJIMQARBUTN-KRWDZBQOSA-N 417.535 1.414 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CCS(C)(=O)=O 1301577357 ILSZLXPQZZKEEE-UHFFFAOYSA-N 412.537 1.027 30 10 HDEE CSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302825362 KOIIMEUQJSYTHY-MRXNPFEDSA-N 403.556 1.330 30 10 HDEE C#CC[C@]1(C(=O)N(C)CCc2nc(O)c(C)c(O)n2)CCCN1C(=O)OC(C)(C)C 1304050780 WTZKQSLCYBADBJ-OAQYLSRUSA-N 418.494 1.990 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 1307783550 IKESRGHKQFHZGX-LLGFUMIMSA-N 400.479 1.284 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCCS(=O)(=O)c2ccc(C#N)cn2)C1 1308078236 LRYLARBCSPNXJC-IBGZPJMESA-N 424.523 1.079 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1312612168 GBOIDCJQEXRDLR-XLIONFOSSA-N 402.495 1.042 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)C(C)C 1312808834 VOOJUNSMVWSJHR-CQSZACIVSA-N 413.521 1.208 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1)C(C)C 1312809107 ZERXSMZMYRGZEF-VQHPVUNQSA-N 420.510 1.868 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)cn2)C1 1312810839 QHABSSFLSDRJLE-QGZVFWFLSA-N 403.483 1.857 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1314480335 BELMRGYIPZNIGP-UHFFFAOYSA-N 405.462 1.510 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(C)(=O)=O 1315631016 HNVIHPRZYGYUQI-MRXNPFEDSA-N 419.507 1.041 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H](C)CN1CCOCC1 1316269397 GBWHCIHJLOTWIX-RDGPPVDQSA-N 420.558 1.566 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1351684510 OYUPLEMQJIKAHL-SFHVURJKSA-N 411.499 1.520 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1358890283 NHTWQJUDCAKLBY-JKSUJKDBSA-N 411.572 1.895 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1358972155 WAICWARNGZSIHY-ZWKOTPCHSA-N 410.474 1.575 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359057447 ZLGJSWIKYOZAGE-ROUUACIJSA-N 405.568 1.891 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1360471178 CNKDVUJDJFSDTO-UFOSLELVSA-N 408.466 1.548 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc4c(s3)CCC4)CC2)C1=O 1439822158 JHUZOCJACRGOPY-UHFFFAOYSA-N 402.476 1.315 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1446330718 JKHQWEGIHAIBMH-CHWSQXEVSA-N 409.936 1.563 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCc3cc(Cl)nnc3C2)ccc1F 1452274518 OEPVSGGXCDZEBX-UHFFFAOYSA-N 410.858 1.932 30 10 HDEE C=C1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1453262614 ICSWPXQPVBWBGK-CYBMUJFWSA-N 405.398 1.016 30 10 HDEE N#Cc1cn(CCNC(=O)c2[nH]c3ccccc3c2Br)c(=O)nc1O 1453839646 BCNIDUQSKPXQMY-UHFFFAOYSA-N 402.208 1.494 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)C1 1455690011 UELSNISQCPVQRH-UHFFFAOYSA-N 410.400 1.509 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1457851475 KSMNZPCYZRBWRJ-KRWDZBQOSA-N 415.471 1.043 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccncc3)CC2)s1 1463730758 FPDLPXPPFWUWOQ-UHFFFAOYSA-N 406.533 1.499 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 1463990711 BEFCMLQGKZNCGX-KYJSFNMBSA-N 424.519 1.628 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1465593352 NJLNMZJAHYHJGY-UHFFFAOYSA-N 415.462 1.549 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)ccc2c1=O 1467806741 CRVSNDRUUOCGLW-LSDHHAIUSA-N 400.504 1.152 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 1469510047 QKDLPCFWEWZHQN-KXBFYZLASA-N 415.556 1.924 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 1469727912 DETWJUSCHKCWFJ-WFASDCNBSA-N 402.455 1.108 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1470253425 LQYXZZOSECCYHS-HXUWFJFHSA-N 400.523 1.294 30 10 HDEE C[C@@H](C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1470621363 RTUXUDNPOXUUIT-KHSSZTOVSA-N 414.528 1.258 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](c3nc(CC)no3)C2)c1 1472225374 AQBOOQBWHSWRMA-CABCVRRESA-N 402.476 1.610 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)[C@H]1CCCO1 1475217797 ZQWQGSFNOYEVMA-JKSUJKDBSA-N 418.437 1.757 30 10 HDEE C#C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)cc1 1477790033 PVCITRXQNYBZBH-UVTIVQHFSA-N 417.263 1.949 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 1479333945 ADWVJQGNRVPSTH-GHMZBOCLSA-N 409.468 1.488 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503491314 ONKBVYSVBSMSGT-MEUCICPISA-N 423.477 1.340 30 10 HDEE CN1C[C@@](C)(Cn2c(CCOc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1503675641 SNIPIJLWTMRJRE-SFTDATJTSA-N 412.469 1.820 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1504525795 CHQKXAFRMXKEHE-GVDBMIGSSA-N 402.499 1.411 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1507588338 JVFDMSUOQOJFNU-OAHLLOKOSA-N 415.585 1.214 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1507593525 RDSXLRXUHGEQQT-MRXNPFEDSA-N 416.526 1.917 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507611816 PUJYHBOOQPVMBJ-GJZGRUSLSA-N 401.433 1.852 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507626091 CXEWMCREHPTFEA-UWWQBHOKSA-N 418.519 1.898 30 10 HDEE C#CCN(c1nnc(C)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1507627655 SYBVBYZKZBAGJL-KRWDZBQOSA-N 407.540 1.006 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1507679260 SRRSZOKDMSDGPR-QFIPXVFZSA-N 411.506 1.731 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1507759520 IUCUTWCJIRYFEB-OXQOHEQNSA-N 401.511 1.952 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@H]1C 1507773388 REORKQIYUILTLJ-SMOSDQRPSA-N 406.552 1.723 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507846555 PEXCDFUTTTUOQI-MSOLQXFVSA-N 412.494 1.791 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCC(O)CC2)CC1 1507885366 YLEZKFGJCOOJAK-QGZVFWFLSA-N 423.583 1.183 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@H](c2ccco2)C1 1508143015 WARQFUDNLMFQIG-HOTGVXAUSA-N 406.508 1.970 30 10 HDEE CC(C)(C)NC(=O)CCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1508623143 JXISATAVWHWNGR-OAHLLOKOSA-N 402.524 1.964 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1516169132 KGQBEBNBJSYGEF-FOIQADDNSA-N 402.499 1.339 30 10 HDEE CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCOC1 1516306124 ATRGJCNBWAOMMV-NZNJNXGPSA-N 409.508 1.880 30 10 HDEE CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCOC1 1516306127 ATRGJCNBWAOMMV-RZCIEDBCSA-N 409.508 1.880 30 10 HDEE COCCOCCCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519391485 BWZSBJWFSCXEAI-UHFFFAOYSA-N 400.483 1.990 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)C1 1521069862 UYZRWKQVUXPFJB-JXFKEZNVSA-N 420.489 1.286 30 10 HDEE COc1ccc(NC(=O)CC2(C#N)CCOCC2)cc1S(=O)(=O)N1CCOCC1 1523510845 VWMJIUVKVIFNJV-UHFFFAOYSA-N 423.491 1.365 30 10 HDEE C=CCC1(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CCOCC1 1527985234 OAEJVJFZBOKVFK-UHFFFAOYSA-N 409.508 1.507 30 10 HDEE C#C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)c1ccccc1 1530132389 ATZWBSSQRHGCCD-OAQYLSRUSA-N 411.527 1.938 30 10 HDEE C[C@H](C(=O)Nc1nn(C)cc1C#N)N1C(=O)c2ccc(Br)cc2C1=O 1531730394 CPSGMAAICIZTFR-MRVPVSSYSA-N 402.208 1.677 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(Cn3cnc([N+](=O)[O-])n3)cc2)c1 1535906086 VRPXZZLVEQRJFN-UHFFFAOYSA-N 418.413 1.609 30 10 HDEE N#C[C@@]12CN(C(=O)C(F)(F)c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1538309906 LBXVJKHMUXTSAD-FZMZJTMJSA-N 419.247 1.938 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1539194658 DFXJAPMUHGNLIR-UHFFFAOYSA-N 409.494 1.717 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N(CC)CC 1539259316 CJUCUSLSLKDXBK-QZTJIDSGSA-N 408.506 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1539265399 FRMWLGASBWVDOL-INIZCTEOSA-N 416.478 1.449 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCCS1 1539396603 PSFHZIYZQXJGGD-YOEHRIQHSA-N 415.585 1.260 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539634626 CASSMAHVTMPZCS-QAPCUYQASA-N 411.572 1.682 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1539744179 DMPPVLDNIDBNII-XGHQBKJUSA-N 419.526 1.596 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)NC(=O)CO3)s1 1540274932 KNEFQGARSLVZTA-UHFFFAOYSA-N 407.473 1.725 30 10 HDEE CC(C)Cc1nnc(NC(=O)CCC(=O)NCCNc2ccc(C#N)cn2)s1 1540697632 IHRZNRKOVRXEQX-UHFFFAOYSA-N 401.496 1.950 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1540875890 ASBDIMYRYWHKAS-ZMSDIMECSA-N 418.542 1.166 30 10 HDEE N#CC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCCCC1 1542733372 HPUFQEHTIGASBS-UHFFFAOYSA-N 407.492 1.859 30 10 HDEE C=CCNC(=O)CNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1546179498 NMAGAOGTSUVFPR-CQSZACIVSA-N 406.487 1.272 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1sc(C)nc1C 1555668809 GTFAEGHGASPCDP-ZFWWWQNUSA-N 406.512 1.853 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)[C@H]2C1 1556816171 ZGBLBKVDOHUNFM-FOLVSLTJSA-N 423.466 1.718 30 10 HDEE N#Cc1cccc2c1CN(C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C2 1557307941 KFZDYWXHTDLNOE-UHFFFAOYSA-N 417.512 1.860 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCc3c2ccc(=O)n3C)cc1 1557327351 PVNSRTMRNHVFKP-KRWDZBQOSA-N 401.488 1.657 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2c3ccccc3c3ccccc32)CC1 1558072646 AEOQKYBQSYTUAO-UHFFFAOYSA-N 424.526 1.796 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cccc(Cl)c3nc2C)CC1 1558074472 AOTIVHTXZBPECU-UHFFFAOYSA-N 406.895 1.422 30 10 HDEE CN(C)c1ccc2nnc(CNC(=O)CCCC(=O)Nc3ccccc3C#N)n2n1 1558526836 KQHAFQYCARFBAO-UHFFFAOYSA-N 406.450 1.487 30 10 HDEE C#C[C@H]1CCCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1559947326 PZPFCFIPQQHWEL-CVEARBPZSA-N 419.526 1.044 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)CC1 1561866580 NKMGJUAXTHSSRG-SREVYHEPSA-N 423.487 1.429 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)cc1 1562197246 HEVJGJYGPMUCLF-IYBDPMFKSA-N 410.540 1.412 30 10 HDEE CON1CCC(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1 1564947347 MCPJZBZDSTWASM-UHFFFAOYSA-N 415.473 1.723 30 10 HDEE C=CCOC[C@@H](NC(=O)C[C@@H]1C(=O)Nc2ccc(Br)cc21)C(=O)OC 1568154420 IROIIOXUQLTROV-GXTWGEPZSA-N 411.252 1.735 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(C)CCOCc1ccc(C#N)cc1 1569934164 UETMDQKBFXLIMR-UHFFFAOYSA-N 405.451 1.942 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CCCOC 1587621216 PMHJXPKXMBOHBX-OAHLLOKOSA-N 402.499 1.432 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1587766167 PUMODHNXRJNHPT-QGZVFWFLSA-N 421.567 1.466 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCSCC2)CCCC1 1588006701 PFZQZMQBPMXAKV-UHFFFAOYSA-N 416.595 1.832 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1C(C)(C)C 1588250702 HUNPMLWIYOAYRY-UHFFFAOYSA-N 419.537 1.997 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@]2(O)CCc3ccccc32)n1 1588724416 ZDJJXTCCERDIEG-QHCPKHFHSA-N 420.517 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N(C)C)CC1 1588929466 AGVOFXKZCSYCDR-FUHWJXTLSA-N 402.543 1.088 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1589047565 AZODYPQEOQTBGM-GOSISDBHSA-N 414.579 1.951 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1589580220 NGQQWOTUSABXRM-IEBWSBKVSA-N 418.586 1.767 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCCS(C)(=O)=O)CC1 1594230078 YNCFLROHSGOOJE-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1594625516 GKPHYPLGDMWFTI-HNNXBMFYSA-N 423.539 1.615 30 10 HDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1595452818 CTPQBAMNGQNXJB-FVJLSDCUSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(C)(C)C)C1 1595550907 JMGRCVVUKPGMGK-CABCVRRESA-N 409.556 1.355 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1595719788 IYPSMNKJYIRGNO-KBXCAEBGSA-N 402.476 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CCC 1595798905 VIKXYUGPRLJHGC-HUUCEWRRSA-N 418.585 1.406 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1595901189 QIXREPXYPXJUJH-KRWDZBQOSA-N 400.570 1.749 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1597053834 UTKLANVSCRNUHM-HXUWFJFHSA-N 416.543 1.827 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1597424741 WUECABLGCNHXQK-UHFFFAOYSA-N 411.506 1.777 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(CC#N)n2)(S(C)(=O)=O)CC1 1598032409 LRYYPKGCKIERSO-UHFFFAOYSA-N 422.507 1.900 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCC1 1607490038 TVYJPPBVLYKZOR-UHFFFAOYSA-N 417.466 1.289 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC(=O)NCc2cccnc2)CC1 1611077868 QTDAPWKOANMPRI-UHFFFAOYSA-N 414.506 1.855 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CC2)C1 1611765000 CGQQGWFAYZEBAF-SFHVURJKSA-N 420.539 1.221 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1618610720 HVIBYEDULMURES-OALUTQOASA-N 424.505 1.503 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOC(C)(C)C1 1620082561 FJPIUNKBXMCMEE-BZSNNMDCSA-N 420.558 1.851 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1620604983 WVLAWCJXJCWLGP-AWEZNQCLSA-N 424.498 1.361 30 10 HDEE C#CCN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1626435346 WWDIVQUBPWKKIC-IAGOWNOFSA-N 421.519 1.166 30 10 HDEE CC(C)OCCN1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1629611630 QVEACJUFEPSPPE-UHFFFAOYSA-N 411.499 1.742 30 10 HDEE Cc1ccc(C(=O)N2CCC(OCC(N)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1634608903 NFVZBROZTICACN-UHFFFAOYSA-N 402.300 1.401 30 10 HDEE C#C[C@@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(Br)cc1 1636561584 DFRKNTDWROIODN-CQSZACIVSA-N 419.279 1.849 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1636661078 ZEMLPVXKERISCD-OAHLLOKOSA-N 416.474 1.442 30 10 HDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1636941428 RHFVLACRFMMXAV-HNNXBMFYSA-N 410.345 1.352 30 10 HDEE C[C@H](Sc1nc2ccccc2s1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637513840 QLTSHMQNAOYOAQ-JTQLQIEISA-N 413.484 1.994 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1640995890 VCNZEMFOKKHSLD-UHFFFAOYSA-N 400.460 1.867 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1641625758 MAQWOQYDVKOUKW-MRXNPFEDSA-N 404.268 1.811 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(C3CCN(C)CC3)c2)s1 1642671827 GPFHZXLSPUBMCO-UHFFFAOYSA-N 423.564 1.857 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CCCN1C(=O)OCC(F)(F)F 1643519581 DJVDWYSIAXJIKV-BQBZGAKWSA-N 402.238 1.824 30 10 HDEE N#CCc1ccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 1643627902 RGMAONPAZYWRDD-HXUWFJFHSA-N 417.469 1.919 30 10 HDEE C[C@H]1CO[C@H](C)CN1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1645218781 CSSZFYIUCBMZDW-ZNMZRNTJSA-N 420.554 1.999 30 10 HDEE C#CCN(C(=O)Cn1ccc(C(=O)OC)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1645458354 RWGFKGUJTOOSJJ-UHFFFAOYSA-N 404.467 1.531 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1646361074 FQSYWWVAWGSHFH-KRWDZBQOSA-N 407.430 1.021 30 10 HDEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c(Cl)c1 1653072849 MOUKQZNXJHRBTO-UHFFFAOYSA-N 417.874 1.694 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1655200379 WIGHLYIORBCWNT-JTSKRJEESA-N 414.554 1.936 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(-c2ccccc2)c1C 1655292325 ICPQMEWGVFKNAG-DHIUTWEWSA-N 419.485 1.889 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3nc(C)co3)ccc2C)CC1 1659845412 NLXNRYRQHXNWDA-UHFFFAOYSA-N 417.491 1.576 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc3nc(N4CCOCC4)oc3c2)CC1 1659997961 AZQPNHGRJRDQOA-UHFFFAOYSA-N 413.434 1.975 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@H](CNS(C)(=O)=O)C1 1660058566 DJZSYXUZVRTTME-HUUCEWRRSA-N 410.565 1.748 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)c1 1666127739 VQHNCDZSGZLHNA-GOSISDBHSA-N 420.462 1.804 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OCCC(C)C)c2)CC1 1666423515 LDEWEEMBCYLRAO-UHFFFAOYSA-N 408.524 1.729 30 10 HDEE COCCn1nnc2c1CCN(C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1)C2 1668816508 HSYRHFWDESWXKB-CYBMUJFWSA-N 418.479 1.200 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 1676031152 SYEKJRFEFTWKNW-ZWKOTPCHSA-N 422.526 1.376 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(C(=O)CNC(C)=O)CC1)c1ccc(Cl)cc1F 1682366410 FTPZQAOYBBISFQ-KRWDZBQOSA-N 408.861 1.533 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1689989476 FVBZPSQKUFRJGG-ZWKOTPCHSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)CC 1690012116 QISZFTLCLAGUQI-UHFFFAOYSA-N 409.515 1.944 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1cccc(F)c1 1690102657 RKSBGJCFRZAOEZ-CRAIPNDOSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCOC[C@@H]2C)CC1 1690110292 FZUNBUSVZQYCKC-ZWKOTPCHSA-N 416.570 1.624 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2c(CC)nn(C)c2CC)CC1 1690120452 VQBSMLJJKUUWOD-UHFFFAOYSA-N 421.553 1.340 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2nnc(C)s2)CC1 1690154445 OKPHVAMDNWMMLK-UHFFFAOYSA-N 417.539 1.183 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690248279 MDEGCUMTXNZBNF-SCTDSRPQSA-N 403.527 1.649 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1690299372 PHPQKRWVJOIRFM-ZWKOTPCHSA-N 402.543 1.839 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN1CCCO 1690520029 HLYZLBYIHMWPBD-LJQANCHMSA-N 423.525 1.390 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(C)CC1 1690670599 FPMHXEHSMPVHPC-HWOWSKLDSA-N 409.556 1.497 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1690744973 VLIYAZXKHMAHQQ-QLFBSQMISA-N 402.586 1.959 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1691888872 OZAXBPFXBMSNTH-BBWFWOEESA-N 422.555 1.334 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](CCCC)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701275157 AUMMCNVMQXDCRO-YQPXSLGVSA-N 401.551 1.546 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705524537 NZKPEURZFOXFRM-HZPDHXFCSA-N 424.571 1.187 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705564559 PDNYIINXJDNQGI-QGZVFWFLSA-N 414.535 1.063 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1705571339 YTUKRPAAWPPGJU-INIZCTEOSA-N 405.911 1.643 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1705652363 WYCDOHLLEFMECT-HOTGVXAUSA-N 407.540 1.167 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1705753360 XWRIVASXYOIVRC-UHFFFAOYSA-N 422.873 1.229 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705883904 ABSRJCMYIVZLBF-WWMYMODYSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1705894655 GWGAHVFTOUOWPR-MRXNPFEDSA-N 403.531 1.286 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1705900282 XQLSGEHYWQDTJD-UHFFFAOYSA-N 419.489 1.638 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1706058416 ACPZXSPGNDKOIS-SJORKVTESA-N 410.434 1.457 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1707294415 UQMWNZRARUJGCA-MLGOLLRUSA-N 412.516 1.749 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](F)COC 1710734464 DHVVBSJWJADWAT-GJZGRUSLSA-N 418.477 1.176 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1712453637 UWVZFRXJENGLNN-RBUKOAKNSA-N 410.478 1.723 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1722279685 UGTFRNNDHJTVHY-LSDHHAIUSA-N 421.571 1.555 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1722415667 PCDNPRYIEKYLAT-UHFFFAOYSA-N 415.469 1.738 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCN1CCOCC1 1722466355 RFLDGDKZTHGUKY-JOCHJYFZSA-N 416.570 1.911 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1722542998 DAZXISWIVOTAQH-CYBMUJFWSA-N 424.914 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722694748 GOYLJNXKQLTDGI-GOSISDBHSA-N 421.505 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccs1 1722727152 MFANMVWUQGPYIN-CQSZACIVSA-N 409.537 1.528 30 10 HDEE CC(C)OCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1723704630 RUDLSSJDLZUDRA-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CCc1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727547811 VXSJORRDSUYUEO-ORIGZDJFSA-N 410.482 1.094 30 10 HDEE CCc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727578641 PBGMQEYQPMTBRJ-DNTCVELPSA-N 424.509 1.484 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N[C@H](C)CC 1740658905 RFLIWOSOFGBNNQ-QGZVFWFLSA-N 409.538 1.907 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740718067 HFTNHBMYYPHZKO-ROUUACIJSA-N 416.551 1.988 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740817927 YPHPZCBSRKPWRX-MRXNPFEDSA-N 407.540 1.638 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)F)CC1 1740840933 DFPAXUIAHVIOMH-UHFFFAOYSA-N 407.469 1.923 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCN(C)CC1 1740891183 UTAULJVBCLNVNK-AWEZNQCLSA-N 416.617 1.338 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740959759 DPSJBDPSRZAZBI-SJORKVTESA-N 416.526 1.066 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCOCC2)C1 1740973334 VWUXOKXLNRRMBT-HOCLYGCPSA-N 413.544 1.096 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1741993350 IBYDEZYVCKDJJY-MSOLQXFVSA-N 408.506 1.707 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)n1 1742679899 XONQIZNFBZGUQB-LHSJRXKWSA-N 410.526 1.747 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1743515021 JOECKADUFQVMRS-DRCYAFTPSA-N 407.515 1.528 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3C[C@H](C)OC)CCN2C1=O 1746339944 PNNPNCMNMFNJRC-WMLDXEAASA-N 423.477 1.324 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1746441389 OUQPIJIBUPFCIN-SQGPQFPESA-N 405.522 1.598 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1748802161 MIAMJAKIAXKTHK-KXBFYZLASA-N 410.540 1.008 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748803847 AETVCALTEBISLD-HOTGVXAUSA-N 409.556 1.287 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN(CC)S(C)(=O)=O 1748842550 MAELWSBHKMUMBT-UHFFFAOYSA-N 414.535 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCC(=O)N1CCOCC1 1748956097 IPRIDZMYORDMBZ-UHFFFAOYSA-N 411.506 1.588 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](F)COC)CC1 1748984587 OBHRGSXNRSZENS-MRXNPFEDSA-N 401.442 1.414 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H]2COCCO2)CC1 1748998829 BFJYETUTRNHOFC-FQEVSTJZSA-N 411.506 1.336 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749037071 AWHCJSJSBPZWRJ-HLIPFELVSA-N 406.552 1.923 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1C(C)(C)C 1749047788 CTGKLUHAUZICMN-UHFFFAOYSA-N 420.627 1.932 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1749650663 DRZYDLDLLXZRPS-QZTJIDSGSA-N 403.575 1.310 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(C)C)C(=O)C1 1749672209 STRREQYQSBTYOJ-UHFFFAOYSA-N 424.549 1.784 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)cc2)C1 1749705517 IKYIVUAGDOQYJV-GOSISDBHSA-N 407.478 1.607 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1749848785 BRULFOZVMYEWQF-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1750388587 QFTBWXZEFLTKOI-HOTGVXAUSA-N 421.548 1.484 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C3CCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1751276587 CNGCKTLXOCQANC-HNAYVOBHSA-N 406.556 1.957 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1760107064 KGYUNGCNBJSZEG-MRXNPFEDSA-N 404.474 1.810 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(C(C)=O)CC1 1760155622 DCUPBGFFIHMLMD-UHFFFAOYSA-N 405.506 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1760206347 XHOKNBLPZNUZPL-KBPBESRZSA-N 418.441 1.220 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2cccc(C(N)=O)c2)CC1 1760270410 XBASHPTYMZJOGF-UHFFFAOYSA-N 420.517 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1760325199 PJESGGNQQSLAOV-XLIONFOSSA-N 403.527 1.590 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1760544449 AGPHWLUJICWOCZ-HZPDHXFCSA-N 418.523 1.341 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1760569731 YSDUGYGDFXDYBS-ZDUSSCGKSA-N 420.564 1.500 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCS(C)(=O)=O)CCOC1 1761275133 SQTVYLIHHMJIOJ-MAUKXSAKSA-N 413.544 1.492 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1OCC[C@H]1C 1761478344 HZOIGYWQJJQQMY-QLFBSQMISA-N 410.544 1.443 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1761547207 WODNVQSHPLFHRB-INIZCTEOSA-N 409.494 1.844 30 10 HDEE Cc1cc([C@@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c(C)o1 1761649327 CZAXZXZTSNLCRI-QFIPXVFZSA-N 420.473 1.871 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1762034147 GMRNKRHPAANIKR-CABCVRRESA-N 411.510 1.822 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cs1 1764652621 HEQKUCRAARKTHD-OLZOCXBDSA-N 408.553 1.843 30 10 HDEE CCOc1ccccc1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1766061903 FAEKPVMKLUZYFU-IAGOWNOFSA-N 410.478 1.599 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)C)C1 1767847157 HIWCWYBKVKJPEO-KRWDZBQOSA-N 402.524 1.848 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCO[C@H]2CCOC2)CCO1 1771539251 RPEGTRIZPSQRNM-VQTJNVASSA-N 411.506 1.988 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCC(COc3ncccc3C#N)CC2)CC1 1848671232 ZMYUZIGBUZLHDZ-UHFFFAOYSA-N 406.508 1.242 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)c(C#N)cc1C#N 1851054734 NDQRUXQFFQZMNF-OAHLLOKOSA-N 409.833 1.896 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)C(=O)C2)C1 1853741439 NPAKDHHSILELFG-SFHVURJKSA-N 411.481 1.771 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1853847822 XUUYVAMKSHZXML-GOSISDBHSA-N 419.547 1.824 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCC[C@H](Oc4ncccn4)C3)C2=O)ccn1 1853985276 LFNQPJNHUOWANM-ZWKOTPCHSA-N 406.446 1.418 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)COc3ccc4c(c3)OCO4)C(=O)C2)C1 1854213803 WYRZCXJOTUQIFK-INIZCTEOSA-N 401.463 1.115 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)Cc3ccccc3F)C2=O)C1 1854316472 AHQKGYMIAMASPF-LJQANCHMSA-N 408.433 1.916 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1855870460 RLEPWMDKHUUNID-KRWDZBQOSA-N 403.504 1.461 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3cc(-c4ccc(F)cc4)on3)C2)CC1=O 1856328909 KXMKYVHOHICOBP-GOSISDBHSA-N 411.437 1.639 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4ccccn4)C3)CC2=O)cc1C#N 1856856297 QPADXYDEIHRXJP-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857373295 LVRIHZNYCUSFCY-SFHVURJKSA-N 421.494 1.743 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2ccccc2Cl)c1=O 1861315495 NLMJMQBWVGFTLI-QAPCUYQASA-N 415.877 1.428 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 1864326834 BKJRNNQLGRMNOK-INIZCTEOSA-N 414.462 1.751 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCCCC)ncnc21 1875229076 NNRAMUOPTKOOBV-UHFFFAOYSA-N 400.527 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N[C@H](CS)C(=O)O 1885473919 DVQQGPVRLZBRIA-HUUCEWRRSA-N 412.508 1.986 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)N3CCN(CC)C(=O)C3=O)cc21 1891036274 GVJPZRAGDZEHHM-UHFFFAOYSA-N 414.462 1.847 30 10 HDEE C#C[C@H]1CC12CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)CC2 1891089723 IHDVEMLYDRLOKL-ZDUSSCGKSA-N 411.321 1.989 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)CC1 1891338156 WSINVTLVFWLIRQ-HNNXBMFYSA-N 410.503 1.359 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(N(C)c3cc(C#N)ccn3)CC1)CS2 1891354981 JPFAUIUECOHNDF-INIZCTEOSA-N 424.530 1.668 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)CC1 1891929042 DEFNOJNDGBSSKS-MRXNPFEDSA-N 411.487 1.549 30 10 HDEE C#CCn1ncc(N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043991554 OVKDUNYTILLAMW-NWDGAFQWSA-N 413.272 1.343 30 10 HDEE CC#CC[C@H](NC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123800490 XRCIBDBVJBUQDH-XGHQBKJUSA-N 402.447 1.785 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C 2174784097 KGGDVDVFUARCOO-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N(CCO)C[C@H]1CCCN1C(=O)OC(C)(C)C 2174784824 RXDIKFGEPVECMI-JKSUJKDBSA-N 403.545 1.806 30 10 HDEE Cc1cnc(N[C@H](CO)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212752915 FQKIEDLTCAZKFP-AWEZNQCLSA-N 407.320 1.987 30 10 HDEE C#C[C@@H](CC(C)C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2234699186 QSDCUZQISXRCJQ-GJZGRUSLSA-N 400.541 1.963 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@@H]2C1 2235560014 YXOINHALYHTEQT-FPCVCCKLSA-N 401.529 1.272 30 10 HDEE Cn1nc(Br)c([C@H](O)[C@H](N)C#Cc2ccccc2Br)n1 2235732253 RSPULNYCYGNUMA-ZYHUDNBSSA-N 400.074 1.753 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CNCCSC2)OC1(C)C 2267720805 MRTRYEQERKIMFX-NSHDSACASA-N 404.388 1.031 30 10 HDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270526174 JRFJLDWRVYMMTO-INIZCTEOSA-N 424.475 1.139 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C(=O)N(C)C 2282315810 STTOOFAZPJLLFQ-SNVBAGLBSA-N 402.347 1.111 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282347424 YBRAAMKJLBBGSM-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE C[C@H](CCCO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282417690 JQVHZTPMWVQCOO-CYBMUJFWSA-N 403.375 1.875 30 10 HDEE C[C@H]1CNC[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498712 IFFWCEQZTWQZBW-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849254 YQYLZVJLZXRELY-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CN(C1CCC(N)CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856825 YXWHAASPHPPTIE-UHFFFAOYSA-N 400.375 1.938 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](C)S(C)(=O)=O 2282857183 DQKFLZFOMNRXKB-QWRGUYRKSA-N 423.387 1.147 30 10 HDEE CN([C@@H](CCO)C(F)F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858496 XZJITOGPWBRHBZ-JTQLQIEISA-N 411.301 1.684 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCCC[C@@H]3C3OCCO3)c2)OC1(C)C 2282864123 ZERADOOLFUCNKN-MRXNPFEDSA-N 424.328 1.297 30 10 HDEE C[C@@H](CC(=O)O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284397094 IJXDFUMDCFUUAG-NSHDSACASA-N 403.331 1.672 30 10 HDEE CC[C@@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398679 AMTNLHRKRHSVES-LLVKDONJSA-N 403.331 1.806 30 10 HDEE C[C@H]1C[C@]1(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399196 HKYOJTUZMACGQR-MGPLVRAMSA-N 401.315 1.436 30 10 HDEE CCN(C[C@H](C)C(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284418044 SYJOPVLIUBEACO-NSHDSACASA-N 403.331 1.779 30 10 HDEE C=CCC1(C(=O)N=c2[nH]n(C)nc2Br)CN(C(=O)OC(C)(C)C)C1 2303356833 OESOYJYSWBHJHE-UHFFFAOYSA-N 400.277 1.751 30 10 HDEE C=C(COCc1ccccc1)[C@@H](N)[C@H](O)c1nc(Br)nn1CCOC 2328445679 RTXKZPRPUYAQOM-CABCVRRESA-N 411.300 1.821 30 10 HDEE Cn1c(NN=Cc2cccnc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 2328607811 AHWLOAMKJZBRLF-UHFFFAOYSA-N 423.864 1.976 30 10 HDEE C#CCC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338850319 QXIJATHHZGMYNM-QGZVFWFLSA-N 420.487 1.629 30 10 HDEE C[C@H](C#CC(=O)O)NS(=O)(=O)c1ccc(Br)cc1Br 2341186389 PEGJLDKIYKUFPE-SSDOTTSWSA-N 411.071 1.966 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)c1ncc(I)s1 2342046768 XRCCJULPPIGDLL-SECBINFHSA-N 410.302 1.979 30 10 HDEE C#CCNC(=O)CNC1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc2)CC1 2345157887 PODLXSLJLDOEEC-UHFFFAOYSA-N 401.463 1.408 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)c2cnsc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c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 6466671 OFXKQKVFUBLFEQ-RDJZCZTQSA-N 422.503 1.540 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 27903729 DMOKMVAVCOQPLJ-HNNXBMFYSA-N 410.921 1.746 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cc(C#N)ccn4)CC3)cc2C1=O 30943222 CZGIXJLJEMXQLO-UHFFFAOYSA-N 401.426 1.698 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCOc2cccc(Br)c2)CC1 53309670 QFOLVQHUUJCRPI-UHFFFAOYSA-N 410.312 1.664 30 10 HDEE C=CCN(C(=O)c1cnn(-c2ccc(OCC)nn2)c1C)[C@H]1CCS(=O)(=O)C1 57238393 URPPSMYVPKNJJJ-AWEZNQCLSA-N 405.480 1.185 30 10 HDEE C=CCNC(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820624 KXUBWVULSOVODB-SEYNJHBTSA-N 421.439 1.656 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccccc1 72444224 OQZIINZUCOVLRU-CABCVRRESA-N 407.430 1.337 30 10 HDEE CC(C)CN(C(=O)CN1C(=O)CS/C1=C/C(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 104477731 YAGDKBNHGOJOKN-LLVIWDJBSA-N 414.549 1.054 30 10 HDEE O=S(=O)(N1CCOCC1)N1CCN(CC#Cc2ccc(C(F)(F)F)cc2)CC1 426369071 CWFKRDMJIGSJSD-UHFFFAOYSA-N 417.453 1.252 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCOC[C@@H]3C)nnc12 432445315 UGESIUKSQXQRDJ-DZGCQCFKSA-N 413.503 1.864 30 10 HDEE Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440214670 IJRKINIEKGQEDY-SFHVURJKSA-N 418.461 1.624 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 460799343 ZLKVLVPPOZLCQV-GOSISDBHSA-N 418.542 1.077 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1)C1CC1 461313985 ZCUFPUZKXOPMTL-INIZCTEOSA-N 423.564 1.876 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 468918158 IRDUOOUCNQDYKZ-NVXWUHKLSA-N 404.492 1.377 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3Br)CC2)CC1 473399366 RKTIBLHYJKARIN-UHFFFAOYSA-N 406.324 1.927 30 10 HDEE N#Cc1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)ccn1 474896745 RKVPDPOAXDARAF-KRWDZBQOSA-N 400.460 1.341 30 10 HDEE C[C@@H]1OCC[C@H]1N(CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 483308576 NXBCBIZCOFSXLF-DBVUQKKJSA-N 404.486 1.006 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@@H](COc3ccccc3)C2)CC1 484556656 KZNQUMJBUCOGRX-RTWAWAEBSA-N 400.523 1.459 30 10 HDEE COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 490159145 WEVRBWKBONRJKR-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE COc1ccc([C@H](CC(=O)N(CCC#N)CCN2CCOCC2)NC(C)=O)cc1 499338415 UUHBVOZVEOCSKV-FQEVSTJZSA-N 402.495 1.337 30 10 HDEE C=CCNC(=O)CN1CCN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CC1 505760637 VKJGBLPJSZKWPF-UHFFFAOYSA-N 405.930 1.785 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)C(C)C)CC1 508470948 DWPCIIPTJDMZEB-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508953620 VJGNFUREJMXHET-OAHLLOKOSA-N 414.514 1.529 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)cn1C 510096026 VXTZRKOKBKTXGK-UHFFFAOYSA-N 416.438 1.724 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 510098670 LPTCPEIQLHTZQX-MRXNPFEDSA-N 400.460 1.899 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(O)n[nH]3)CC2)cc1C(F)(F)F 519656082 SKJJGEIKLUXHSE-UHFFFAOYSA-N 401.370 1.969 30 10 HDEE CCN(CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 522443797 TVUNESMXGYJNMM-UHFFFAOYSA-N 405.524 1.058 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(Br)c(F)c2)c1=O 532416728 QLJLZHGHAWFCOQ-UHFFFAOYSA-N 422.279 1.246 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 536266717 OZGQCQCKWPXOMD-YSSFQJQWSA-N 412.515 1.787 30 10 HDEE C=CCCC[C@@H](C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 537263956 HXWKFOJDOWMEOB-MRXNPFEDSA-N 422.551 1.422 30 10 HDEE CN(CCCNC(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1)S(C)(=O)=O 541076297 ZXDCZDIKNUUAQR-UHFFFAOYSA-N 424.914 1.207 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2c(F)cc(C#N)cc2F)C1=O 541190903 NQXYZOSOHAXVKG-AWEZNQCLSA-N 409.418 1.039 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542035315 WTYCROPSWIWBSK-AWEZNQCLSA-N 422.898 1.943 30 10 HDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@@H]2C1 544493591 KTUXQSYTEOMKIZ-INIZCTEOSA-N 407.430 1.227 30 10 HDEE C=CCNC(=O)CN1CCN(c2ncnc3cc(F)c(Br)cc23)CC1 545158375 JMPAIJWMRDXOBJ-UHFFFAOYSA-N 408.275 1.956 30 10 HDEE COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546885098 COOVHWAUOYXNMA-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2cccc(C#N)n2)CC1 546922048 XBVZZGDAZPCNBT-SFHVURJKSA-N 422.508 1.952 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 549678549 GLQQGQCMABGZCA-INIZCTEOSA-N 408.528 1.317 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 555255957 QHVLYZVCHLWPDD-KRWDZBQOSA-N 422.493 1.912 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@@H]2CCOC2)cn1 555474720 JDTCWQZISHTUQL-INIZCTEOSA-N 419.493 1.308 30 10 HDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C(N)=O)C1 558996697 PIMLCHFHQOCNQD-ZDUSSCGKSA-N 409.288 1.313 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(Cc2ccc(Br)cc2C#N)CC1 579844016 FHXUOYVVPOHAEK-UHFFFAOYSA-N 401.330 1.635 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)nc1 608983928 MYRHPFCYUGVOSJ-GOSISDBHSA-N 406.494 1.680 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105794 MDEAGIBXIKAIEK-QVKFZJNVSA-N 410.478 1.103 30 10 HDEE COCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@H]1CCCO1 619851368 OKAUKQVFYSLHIY-OAHLLOKOSA-N 413.482 1.667 30 10 HDEE NC(=NOCC(=O)Nc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1 725793313 ZSAPRCDKWJZARE-UHFFFAOYSA-N 412.446 1.523 30 10 HDEE C[C@H](OC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C(=O)N(C)CCC#N 728727948 UZHYMVGYADFQGR-LBPRGKRZSA-N 422.438 1.872 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1cc(OC)c(OC)cc1C)[C@@H]1CCS(=O)(=O)C1 731213691 NYTCZULIMMRGTD-JKSUJKDBSA-N 408.520 1.312 30 10 HDEE N#C[C@@H]1CN(C(=O)CCNC(=O)c2ccc(Br)cc2)CCN1C1CC1 732650458 RWXGRDMWUBACSA-MRXNPFEDSA-N 405.296 1.768 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cc1c(C)nc2c(c(O)nn2C)c1C 734293340 RAVNPEUYLBNJAC-UHFFFAOYSA-N 413.459 1.518 30 10 HDEE CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 737198250 MHBMUUQALHJMOU-GOSISDBHSA-N 423.473 1.342 30 10 HDEE C[C@@H](CC(=O)NCc1cccnc1N(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742538981 RLDAKRUUJROZBA-ZDUSSCGKSA-N 401.492 1.281 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)CC1 743079739 SUTBXQYTDBJCBY-UHFFFAOYSA-N 414.554 1.280 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CC2CCS(=O)(=O)CC2)C1=O 755546214 PJJIHYZBQNBAIZ-MRXNPFEDSA-N 423.560 1.887 30 10 HDEE O=C(NCC#CC(=O)N1CC(O)(C(=O)O)C1)OCC1c2ccccc2-c2ccccc21 757488183 YRJAVLQBVQLVBO-UHFFFAOYSA-N 420.421 1.186 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc2C1=O 757597851 UHYWIPBGOWHCLZ-WMLDXEAASA-N 424.457 1.957 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)C1 758775936 XLHIPDFTXBZRSB-JONQDZQNSA-N 405.499 1.446 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3sccc3S(=O)(=O)C(F)F)CC2)n1 760778021 PSLJVSUMSWBPNL-UHFFFAOYSA-N 412.443 1.973 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 767705664 RPFGRMJOJMXPCH-XCLFUZPHSA-N 403.435 1.639 30 10 HDEE CCOC1CC(CNC(=O)NCc2ccc(OC)c(C#N)c2)(N2CCOCC2)C1 767841594 GFLDBFPFHUBDAW-UHFFFAOYSA-N 402.495 1.636 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 768334651 BIHPKQYTVDDBRV-ROHOOWMXSA-N 411.380 1.288 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1OCC[C@@H]2O 768474634 WORNLXZHZBYULC-HNNXBMFYSA-N 401.444 1.570 30 10 HDEE COC(=O)COc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1Cl 771789846 CDQPUJPJWJKMNB-ISLYRVAYSA-N 407.810 1.747 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774158498 WMDXOFLNSXXFQE-SJORKVTESA-N 420.922 1.995 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)OC)ccc1F 787355366 VDQCMLUSENJRDI-VBQJREDUSA-N 410.467 1.704 30 10 HDEE C#CCOCCNC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788829176 XGLZPKVOHFNHIP-ZWKOTPCHSA-N 415.490 1.619 30 10 HDEE C[C@@H]1OCC[C@]1(O)CN(Cc1ccccc1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 791184506 MOPWODZLCGKSQH-RDJUTCNNSA-N 413.474 1.472 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C(F)(F)C2CCOCC2)c1 792532234 RFDSZPXXWWJHNF-UHFFFAOYSA-N 406.429 1.922 30 10 HDEE Cc1ccncc1C=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 794458786 BCMVOCXHCRZHDM-UHFFFAOYSA-N 405.436 1.765 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 795925477 GWKAXXSENZRCPK-SECBINFHSA-N 410.261 1.980 30 10 HDEE C=CCN1CC[C@@H](OC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1=O 798595586 OJAVBUDRZFQLSC-CQSZACIVSA-N 423.263 1.895 30 10 HDEE C=CC[C@]1(C(=O)N(CCO)CCN2CCOCC2)CCCN1C(=O)OC(C)(C)C 801174510 UHTPJBXCQVNECY-OAQYLSRUSA-N 411.543 1.485 30 10 HDEE N#CCN1CCC(NC(=O)C(=O)N2CCc3cccc(Br)c3C2)CC1 805060243 WAHQCIIOLDDSRL-UHFFFAOYSA-N 405.296 1.438 30 10 HDEE C[C@@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CN(C)CCO1 807249802 HUFJUTPIJWIPQX-KDOFPFPSSA-N 412.515 1.738 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2cnn(C)n2)C1=O 807937743 LRWFYGLDWVPECF-OAHLLOKOSA-N 418.479 1.100 30 10 HDEE CC(C)(C)OC(=O)NC1(c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)CC1 904997478 QSGJKEBMNKRHDO-UHFFFAOYSA-N 419.463 1.822 30 10 HDEE C[C@H](NC(=O)NCCNc1ccc(C#N)cn1)c1cccc(NS(C)(=O)=O)c1 918084922 YABSVPLHYPCXDK-ZDUSSCGKSA-N 402.480 1.797 30 10 HDEE COc1cc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1 1131935185 BBOHVXGUWIVFRP-QGZVFWFLSA-N 407.430 1.526 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1136566971 ITAOMYWGXFLYEM-UHFFFAOYSA-N 423.498 1.910 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1139811217 GXOKPPUZMJJYPL-FXAWDEMLSA-N 420.444 1.968 30 10 HDEE C[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1139811619 QXKPQHFGTSEWPR-VGOFRKELSA-N 404.426 1.565 30 10 HDEE CN1Cc2c(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cccc2C1=O 1142103491 LRXCLRSCNPCAER-UHFFFAOYSA-N 412.471 1.730 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1cnccn1 1143589254 QIVFJTVSNVKYDH-DZGCQCFKSA-N 401.492 1.951 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](CC)C(=O)OC 1163188838 IOHDQVKBCMDRQY-ZFWWWQNUSA-N 409.508 1.599 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncc(C#N)c1 1178373910 RCMYPFHALBTTIK-KRWDZBQOSA-N 411.487 1.867 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)C[C@@H](C)O1 1184821413 RFOJHDQSWWWXIR-VXGBXAGGSA-N 415.497 1.004 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 1191682406 QLSNALPDSQPKPS-IBGZPJMESA-N 400.523 1.487 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@H]2CCC[C@@H](C(F)(F)F)O2)n1 1211731921 XDYDFKCWFILZCQ-CVEARBPZSA-N 423.457 1.795 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1226112025 LWRVGAXQSLJZDK-OALUTQOASA-N 424.505 1.643 30 10 HDEE C=CCn1cc(CNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)nn1 1230271272 CZLYNXHYLUHKAM-UHFFFAOYSA-N 404.496 1.070 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CS1(=O)=O 1230717042 DDKYLBNZKPOWHC-KBXCAEBGSA-N 418.519 1.884 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CCN1Cc1ccccc1 1246567071 XUEVLOUCXOSZPN-GOSISDBHSA-N 408.462 1.203 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1252550478 RSPNGALCKOSIOI-GFCCVEGCSA-N 414.440 1.125 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN([C@H]4CCOC4)CC3)CC2=O)cc1Cl 1278489526 IFUHPUCNPLPCHW-WBVHZDCISA-N 402.882 1.498 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1286297857 ZQWRPAHJZWNNFB-ZDUSSCGKSA-N 411.478 1.544 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1286305719 UIBYMECHJKCCIO-MRXNPFEDSA-N 420.521 1.975 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1286388320 NIXVUUDFAJGUDU-SJLPKXTDSA-N 402.520 1.854 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCO[C@H]1C 1286408192 BDZFYMYPLJXRAK-BTYIYWSLSA-N 400.429 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncc(CC)s1 1286419879 HIVRBNFVGVMORC-AWEZNQCLSA-N 420.564 1.418 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1286444196 SCKDWHHGCBWOGA-HNNXBMFYSA-N 413.478 1.763 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[S@@](=O)CC)CC1 1286477069 NOAZZPLBKRFGGQ-LJAQVGFWSA-N 410.547 1.950 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCOC)CC1 1286489283 MXKXRZMAVQABCP-UHFFFAOYSA-N 411.506 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286818981 VLQMXBVWHOMZRH-GJZGRUSLSA-N 406.512 1.340 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCN(C)C 1287217253 MUAMJELNSSJAEH-UHFFFAOYSA-N 412.542 1.573 30 10 HDEE Cc1ccc(-c2nnc(N3CCOC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1289609043 DIHOJMDRLPEKHY-JPWUFHEYSA-N 412.450 1.598 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4n[nH]c(C)n4)CC3)n[nH]2)c1C 1293902409 GAVQUPWZCOJSKT-UHFFFAOYSA-N 409.498 1.461 30 10 HDEE Cn1ccnc1[C@H]1N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 1298181401 FOPJPANYQHTOBG-QGZVFWFLSA-N 415.519 1.849 30 10 HDEE CN(C[C@](C)(O)c1ccccc1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1299701957 HEVDRDJFGYHBIK-FQEVSTJZSA-N 401.488 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1300298536 DSMWRDHQWMRZGR-JXFKEZNVSA-N 413.551 1.401 30 10 HDEE C#CCCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300345311 STTYMGUSNHBJJU-KRWDZBQOSA-N 424.505 1.980 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300665211 HQCPZXJOJITSJE-ZCNNSNEGSA-N 419.570 1.757 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cccs2)CC1 1300685590 QRDGPEYIUGQLIQ-OAQYLSRUSA-N 415.563 1.990 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCC[C@H]2C)CC1 1300698063 MPQBYBGTIJXAHS-MOPGFXCFSA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(C)CN(C)C2=O)CC1 1300706043 HDXLLMPPHXWOSW-QHCPKHFHSA-N 406.534 1.297 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccccc1F 1300801211 JQPDQXIDXWVIIY-HTAPYJJXSA-N 424.480 1.790 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300886361 XHKYQWBFJVAOCP-BMGDNIKJSA-N 420.510 1.123 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)CC1 1301086677 YZLFGUZKTNLDLB-OAHLLOKOSA-N 407.540 1.395 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnc(C)s1 1301510035 RMUAQFHWPMCORS-UHFFFAOYSA-N 403.512 1.104 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCCOCC1 1301586348 GSQSLUBSFLCVEG-UHFFFAOYSA-N 408.499 1.836 30 10 HDEE C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1303700314 DASJTFCZFFDWFQ-JKSUJKDBSA-N 400.458 1.534 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1 1303775189 JIVNMMGGDHPHFY-FXTXOLNPSA-N 421.519 1.314 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H](CO)Cc1ccc(F)c(Br)c1 1309498357 DOMACRHYBDCREB-YPMHNXCESA-N 422.320 1.665 30 10 HDEE Cc1ccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1Br 1313240048 JMSYKNPMRWTSTB-UHFFFAOYSA-N 418.251 1.658 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)C1 1313291396 KYGFZTFWMOBZIJ-NZQKXSOJSA-N 410.518 1.297 30 10 HDEE CCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1313764231 KBLMUQJOKQIEAH-GWOGKKTRSA-N 400.483 1.892 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 1321793011 RWQDWVCMKBLLQB-CYBMUJFWSA-N 405.879 1.744 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1358938984 NKKNSSZNRPHXEW-ZDUSSCGKSA-N 411.915 1.690 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCS(=O)(=O)C1 1358945575 LRIJETFBGGGBSQ-MRXNPFEDSA-N 410.503 1.635 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H](C)C1 1358994502 OTDBDIQCRXJALZ-RCCFBDPRSA-N 404.536 1.458 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@H]1C 1359472358 KOJXLWARUSDMGY-NQCMUKECSA-N 402.455 1.142 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1438908991 PSZLLUPFTUITLN-QGZVFWFLSA-N 424.519 1.644 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1)C(=O)OCC 1454714555 QPNLMOCVVIYRRZ-OAHLLOKOSA-N 416.883 1.358 30 10 HDEE CCOC(=O)c1ccc(NCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1 1457164942 RDSHMQKTMPDKQU-QGZVFWFLSA-N 421.457 1.711 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 1458035779 CZBKTMOQQQDTNA-HDJSIYSDSA-N 408.480 1.008 30 10 HDEE N#CC1(C[C@H](O)CN2CCNC(=O)[C@H]2c2cccc(Br)c2)CCOCC1 1459777821 WXTIVWLWGHPRNI-DLBZAZTESA-N 422.323 1.993 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@H]3C(=O)NCC34CCOCC4)c2C#N)C1 1460853226 VEGBTPCSZULCTR-ACJLOTCBSA-N 416.547 1.958 30 10 HDEE CCOC(=O)c1c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccn1C 1461001191 SFLYVRKTHUAASJ-MRXNPFEDSA-N 423.429 1.917 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)C1 1465766940 VCXOITDJZUWVNV-HNNXBMFYSA-N 413.927 1.983 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@]3(CC(=O)c4ccccc4O3)C2)cc1 1468956514 UEHQTTPWCDJRFA-QFIPXVFZSA-N 424.478 1.848 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1NC(=O)C[C@@]12CCCC[C@@H]2C 1470108964 VTRZHSYJAIFKFZ-CKFHNAJUSA-N 404.492 1.437 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](OC)C[C@@]3(C)C(=O)OC)n[nH]2)c1C 1471029671 HWKGWFSMKYRNBT-XOBRGWDASA-N 401.467 1.869 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(n2cccn2)CC1 1472124210 BPTQIUKRFXGVAD-MRXNPFEDSA-N 415.519 1.786 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@@H](O)CC1(C#N)CCOCC1 1473130962 KOKKVBIAOGAKOB-KRWDZBQOSA-N 410.536 1.862 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)[C@H]1CCCO1 1475217796 ZQWQGSFNOYEVMA-HZPDHXFCSA-N 418.437 1.757 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)CCc3ccc(OC)cc3)CC2)nn1 1478855591 RIZWZWFAVWTIDJ-UHFFFAOYSA-N 412.494 1.459 30 10 HDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1503303823 UBYFAWPNZCPFBM-HJWYETAXSA-N 403.508 1.722 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(OC)CCOC1 1503707879 GCGVAZVRVDRPKG-BTYIYWSLSA-N 412.494 1.441 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnn2ccccc12 1504997950 GXHHCEIDEJXQRC-WBVHZDCISA-N 411.466 1.427 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC=C 1507532072 JAQBVEKUNCILOQ-INIZCTEOSA-N 408.510 1.212 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1507538125 KKKKOAINLDXYRS-VQIMIIECSA-N 415.563 1.748 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507636111 YXMURUVCVGOVPT-CQSZACIVSA-N 420.564 1.320 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCN(CC)C1 1507656971 MJAIVUCGQUIJGK-KRWDZBQOSA-N 410.547 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccn(CC)c1=O 1507711979 OACBQPHHDWLYPD-UHFFFAOYSA-N 406.490 1.580 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507745301 WYGIXGBIOUKMGP-MRXNPFEDSA-N 420.560 1.943 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507829674 INQFDHLCLWUUOM-HZPDHXFCSA-N 401.515 1.388 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507935141 LGNKPIHAKSJUEJ-QZTJIDSGSA-N 402.543 1.744 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOC(C)(C)C 1510192090 OYYCVQSRCMNPJQ-BLLLJJGKSA-N 402.496 1.145 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCOC(C)(C)C 1510192138 OYYCVQSRCMNPJQ-WBMJQRKESA-N 402.496 1.145 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)ccc1F 1510638341 HSMFGDPNTGEMGN-UKRRQHHQSA-N 422.486 1.113 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1512654448 FCFSVDGFOFZNFI-LJQANCHMSA-N 405.524 1.849 30 10 HDEE CNC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(C#N)cc1 1517581411 AGBFWGCKDIPGEJ-UHFFFAOYSA-N 418.461 1.570 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 1517944972 GSJDGVYSJUZCIY-AWEZNQCLSA-N 404.474 1.953 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)CCO1 1518913179 JGKZQZLIXHGEGZ-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2sccc2CC#N)CC1 1521415312 AGBDTXAWNYQBNK-UHFFFAOYSA-N 418.544 1.680 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N[C@H]3CCCC[C@@H]32)c(C#N)cn1CCOC 1525335205 FFBLIAUIUKLTEI-OAGGEKHMSA-N 416.478 1.816 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)cc1 1527273975 KTULUDOLBRSMCL-VCVJJXFASA-N 422.507 1.251 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1539101938 NDOMRIFMDFTEKK-OAHLLOKOSA-N 417.535 1.580 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1([S@](C)=O)CC1 1539300213 SNISXAPJECUIJA-MMTVBGGISA-N 404.536 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1539315112 DRGPJHREHDIDAW-KRWDZBQOSA-N 417.517 1.605 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1539368992 GIRJTIYKKMPOLN-UHFFFAOYSA-N 424.553 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1539405885 PACZKOZKTARKNZ-OAQYLSRUSA-N 422.493 1.168 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1539428919 YBKUPSOZDKZPRQ-GCJKJVERSA-N 414.554 1.617 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539517412 NFGAVJZNWQFMMX-MOPGFXCFSA-N 419.595 1.840 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1539770835 QSYWZZCHTMPBIL-LJQANCHMSA-N 408.934 1.568 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1540916809 HISZDXFYFRADES-OAHLLOKOSA-N 410.569 1.432 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1541115575 BLYZTVLCGXMRBL-NWDGAFQWSA-N 413.454 1.416 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(Br)c2OC)CC1 1542894646 GLUGXLDUZXWBFG-UHFFFAOYSA-N 408.296 1.355 30 10 HDEE Cc1cc(F)ccc1N(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1543808246 UMEMKQFSRWNQRC-UHFFFAOYSA-N 407.423 1.918 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C2CCN(C)CC2)CC1 1544620227 FZTCJOXWTORTSN-IBGZPJMESA-N 406.571 1.968 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)Cc2ccc(Br)cc2C#N)C1 1544657232 FPPJSGAEKLIBGD-NSHDSACASA-N 400.298 1.261 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1546794216 UFLOYJZSZLEBSK-RIOIIYTLSA-N 422.555 1.707 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1555700472 RKHJSKQKEBWUTH-RTBURBONSA-N 413.478 1.474 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cnccn2)n1Cc1ccc(C#N)o1 1555733158 WDVUUOVDSPHMLA-KSSFIOAISA-N 409.450 1.941 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC(F)(F)CO)CC2)cc1B1OC(C)(C)C(C)(C)O1 1557266758 MPBUXVMZRZLCDX-UHFFFAOYSA-N 424.297 1.680 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@]3(C(=O)OC)CCC[C@@H]23)ccc1F 1558241024 IXRFTSBPBAXQOZ-APWZRJJASA-N 410.467 1.848 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cnc(Cl)c(Br)c1)C(=O)OC 1561512007 KJEXHVNPAQCKAY-SNVBAGLBSA-N 413.677 1.520 30 10 HDEE O=C1C=COC2(CCN(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)C1 1564964607 IKYCXVIUJKHHLR-OAHLLOKOSA-N 406.460 1.269 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CO1 1565424796 NKLUBIRWCBZLNK-OAHLLOKOSA-N 402.455 1.336 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(C(=O)CC#N)CC2)cc(C(F)(F)F)c1 1566317564 CHKZSFHTJZWPOC-UHFFFAOYSA-N 418.397 1.275 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)cc1 1569887956 LVWNYNFFMBPEDW-GOSISDBHSA-N 420.473 1.664 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)c1 1570876170 INIHUQUNMXYJSC-SFHVURJKSA-N 420.531 1.848 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)cc2S1(=O)=O 1584313755 KYFAKEDUIWRYAV-INIZCTEOSA-N 401.492 1.809 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)OC(F)(F)O2 1584582479 GPBJVQYDNHINGN-UHFFFAOYSA-N 409.370 1.363 30 10 HDEE N#Cc1ccccc1Oc1ccc(C(=O)N2CC(NS(N)(=O)=O)C2)cc1Cl 1586444590 XMUVJGRGUMJCIU-UHFFFAOYSA-N 406.851 1.621 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1588053674 HBJITLOELATXPI-SFHVURJKSA-N 416.551 1.768 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1S(C)(=O)=O 1588105484 ZSBOLYWBWVGJHM-MRXNPFEDSA-N 401.492 1.343 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)cc1 1588157840 IGXNYGXONBBFLU-UHFFFAOYSA-N 400.460 1.499 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCn1cc(Cl)cn1 1588673641 VUEMICFVOUPDDU-UHFFFAOYSA-N 405.890 1.037 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1CCN(C(C)=O)CC1 1589134498 LTJGDXUXQGTQEH-OAQYLSRUSA-N 400.527 1.667 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NC(=O)COC)CC1 1589528691 IFQLTLZMSNYZIH-APWZRJJASA-N 403.527 1.868 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1595496810 IBWIAQGYLIWGSD-KRWDZBQOSA-N 412.494 1.361 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3cncn3C2)cc1 1596419853 FMJPJCOWWQYBSN-ZLFSKHNOSA-N 401.492 1.897 30 10 HDEE CCN1CCC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 1597023229 UOLDADJNEUTMSY-INIZCTEOSA-N 420.535 1.413 30 10 HDEE CC1CCN(Cc2cccc(CNC(=O)CCn3cc(C#N)c(O)nc3=O)c2)CC1 1610983282 DIJNLMALCXNUQV-UHFFFAOYSA-N 409.490 1.759 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1611309080 XQKXORBNADLFQP-JHJVBQTASA-N 403.455 1.343 30 10 HDEE CCC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1614454465 DCXUYACPZFFTNL-GOSISDBHSA-N 412.494 1.822 30 10 HDEE Cn1c(C(F)(F)F)nc2cncc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)c21 1616348185 VOLRSEZVMMBHKJ-NTCAYCPXSA-N 408.340 1.243 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(C(C)=O)C1 1619399341 AJKUWMIEHMMLGA-ZWKOTPCHSA-N 424.505 1.941 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)c1 1627437163 VFUDJTSMICIAPP-QGZVFWFLSA-N 403.391 1.600 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)C1CCOCC1 1630572496 RNDQCWGUZWVLKW-LJQANCHMSA-N 407.536 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CC[C@@](O)(CC#N)C2)CC1 1630966147 KPPNGNGJPRTYTK-IBGZPJMESA-N 404.471 1.341 30 10 HDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1636861369 XFAIDGRNMKCJRY-OAHLLOKOSA-N 415.471 1.016 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(C2(C(=O)OC)CCC2)CC1 1637380317 FAIANWGFQGQGAE-INIZCTEOSA-N 422.522 1.990 30 10 HDEE COc1ccc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1C#N 1637998190 WRKQLYJWSLMWEV-TZMCWYRMSA-N 405.398 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN(CCC#N)CCN3CCOCC3)C2)C1 1641935501 WLKQUQVZYZTOHA-SIKLNZKXSA-N 422.570 1.950 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1644490054 ASTNZBYOCNWLGO-GCJKJVERSA-N 420.513 1.827 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C[C@@H](O)C2(O)CCOCC2)CC1 1645178534 POAQSKCEVGUKGP-ZWKOTPCHSA-N 424.339 1.534 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1648293233 VBPOYZIBPQYYDL-QGZVFWFLSA-N 423.517 1.668 30 10 HDEE CN(C)CC#CCNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1648652160 VKFOQCMKTWGIBW-MRXNPFEDSA-N 404.515 1.535 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1nc(C(F)(F)F)n2c1CCCC2 1648935086 UTQBVYITEJDCPI-NXVVXOECSA-N 411.384 1.771 30 10 HDEE N#CCCn1ncc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c1-c1ccccc1 1650745480 JUSANEBPZTXYMC-KRWDZBQOSA-N 407.474 1.567 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC(O)(c3nccn3C)C2)cc1OC 1650900017 CQBXSFLDGHKNHX-UHFFFAOYSA-N 416.478 1.688 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 1651691744 KJRPEXSKADOVGI-ICSRJNTNSA-N 421.563 1.772 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1653978639 WNKUOFRMECFBBN-BHYGNILZSA-N 416.526 1.664 30 10 HDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NCCS(=O)(=O)c1ccc(C#N)cn1 1654744082 SQZIITLSSKEPIG-QGZVFWFLSA-N 413.455 1.847 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)ccc1C#N 1664807578 CWSGJGVCKKCRPF-UHFFFAOYSA-N 401.444 1.897 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1664908219 CPTQJGMBXFQQHA-UHFFFAOYSA-N 401.282 1.604 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1668661952 IMDHIXWZZIZAHT-SFHVURJKSA-N 412.490 1.625 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C1CCOCC1 1670502268 JBZTWVIRDYMFIS-CQSZACIVSA-N 401.868 1.842 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140048 CTFQPQVHNLQYLB-AWEZNQCLSA-N 421.295 1.593 30 10 HDEE Cc1cc(CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)nn1C 1683903767 YVUXCBLBXXPARO-UHFFFAOYSA-N 409.450 1.923 30 10 HDEE C#C[C@H]1CCCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1684030327 VRTSNPFTOLGTFL-HOTGVXAUSA-N 413.540 1.465 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1689873498 LPRDDULJMHLEPU-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1689930464 RUKXCVYLCRXMDF-HZPDHXFCSA-N 403.512 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@@]1(O)CCN(C)C1 1689952510 IIRSWCGMKGLSBB-MRXNPFEDSA-N 410.341 1.905 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCO[C@H]1C(C)C 1690019336 GFYAULGTHLBYEP-QRVBRYPASA-N 418.563 1.704 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1690236755 QVZKIUHZUCSMCU-NXHRZFHOSA-N 418.542 1.455 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1690437363 AQKSAQGIFFKPKF-NRFANRHFSA-N 402.543 1.965 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CCCS1 1692774452 HASWMDMLNGRQFF-CXAGYDPISA-N 412.585 1.914 30 10 HDEE C[C@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)c1ccco1 1692804877 GQNUARTWNRLMIR-FQEVSTJZSA-N 411.487 1.886 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1693866563 GGESBHWFQHHNFR-LSDHHAIUSA-N 415.498 1.465 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1698484810 VYPIXXMJDYDYGI-BEFAXECRSA-N 406.462 1.257 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705529835 FZMBGFCHBQOREW-UHFFFAOYSA-N 402.462 1.506 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1705544968 KUAFWIDXGWJNLC-UHFFFAOYSA-N 413.507 1.047 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1705558480 YHILYJNSAQJJLQ-HNNXBMFYSA-N 400.487 1.596 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1705566909 RPHDCRYWLHHVRU-JKSUJKDBSA-N 401.492 1.593 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCSC1 1705577980 BBKCNLNZJLTZHI-NRFANRHFSA-N 412.515 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1705597006 SXOWQDVQDXUMJE-LJQANCHMSA-N 418.501 1.431 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1705612780 OWXVANMZVZZGCJ-QGZVFWFLSA-N 406.552 1.847 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705825477 UWPUXMIDCNCUOH-HOTGVXAUSA-N 404.515 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nc(C)cs2)CC1 1705901817 XKXIWOSTKPUEPH-UHFFFAOYSA-N 401.540 1.939 30 10 HDEE CC(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1706058465 BXGNACBHQFCVFF-QGZVFWFLSA-N 411.485 1.787 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1722280261 VUAKWGBRWVCMLB-HUUCEWRRSA-N 420.539 1.578 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722367538 NSXJNXQTRGYJLD-SJORKVTESA-N 416.503 1.163 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722390538 DIFZLCRMTMMILP-CNNODRBYSA-N 416.522 1.803 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722409930 KKMSKDJWOGJNAI-INIZCTEOSA-N 418.509 1.695 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(C)CN(C)C2=O)CC1 1722435807 UDLXJNOVQFQHFW-NRFANRHFSA-N 412.925 1.832 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1722436672 KPQHYFGVHPGYLZ-PMACEKPBSA-N 400.571 1.659 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1722499468 JFIJYTGQESLHHI-UHFFFAOYSA-N 417.602 1.943 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1722559090 KIPFNWRAFJVZLG-INIZCTEOSA-N 407.540 1.495 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722599177 CVOUFCQEISWKMH-UWJYYQICSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722699986 RTLUBTKBDJJWBV-CALCHBBNSA-N 419.913 1.675 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1723003662 SZNWEVGWEHOWQP-GJZGRUSLSA-N 406.487 1.426 30 10 HDEE COCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1730510309 CYKUIWZQDSMFGJ-CRAIPNDOSA-N 424.571 1.835 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)F 1730956567 QZBIEFBMBFEJQE-CFVMTHIKSA-N 414.432 1.741 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740544883 LIUYYGJWRBQSBJ-NVXWUHKLSA-N 420.525 1.637 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740564019 ZAEXBSCVCDRWSI-VSZNYVQBSA-N 415.517 1.934 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740628174 OGKIZOYTKIECHS-ROUUACIJSA-N 423.583 1.316 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCN2CCOCC2)CC1 1740693723 KGOYZJCXQDSYQC-UHFFFAOYSA-N 412.513 1.562 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCC(OC)CC2)CC1 1740694359 HPRKKZSTBQIEGX-ACBHZAAOSA-N 414.554 1.580 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)c2cccc(O)c2)CC1 1740823994 ROMKONIWDXSEJA-SFHVURJKSA-N 424.505 1.911 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740957835 BQBKZMMWCITRGJ-MRXNPFEDSA-N 402.543 1.979 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1740995093 ZMMXDXQGMXWKEA-HWWDLCQESA-N 407.540 1.236 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1745898451 WLANJNFCUWKNKY-SFHVURJKSA-N 408.506 1.955 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1746468366 PWEHRDMNMFYEGY-OALUTQOASA-N 403.575 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1748639383 GFXUFEOYGIHGIZ-LSDHHAIUSA-N 405.524 1.793 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1748751083 BPJLPZANEWODNA-JYJNAYRXSA-N 407.540 1.259 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1748771054 GVHIPOIFFFXZBQ-UGKGYDQZSA-N 418.586 1.273 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1748800659 ZJUFCQZKWFKHSW-KRWDZBQOSA-N 410.478 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CC1 1748852912 QJBVRCDOZHXTNZ-UHFFFAOYSA-N 403.533 1.284 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H](O)C1 1748949444 ANKITYROQSVVLO-UEXGIBASSA-N 406.527 1.567 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccc(I)cc2)CC1 1748977185 DLYTWKIXJSOFGO-UHFFFAOYSA-N 421.286 1.995 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCS(C)(=O)=O)CC1 1748983716 ZWEZHESDVJYRKA-UHFFFAOYSA-N 422.942 1.183 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CCCO2)CC1 1749001554 WJDDUXZRODAILL-BBTUJRGHSA-N 403.527 1.326 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749082984 KJUXBVXMHUCQRZ-GHMZBOCLSA-N 414.260 1.439 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCN(CC(F)(F)F)CC1 1749664116 XBGKECQYPPOKQI-UHFFFAOYSA-N 423.443 1.717 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1749684684 DZFZKQRBRHZFOK-UHFFFAOYSA-N 408.466 1.501 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1749822581 WEWWNHJYBVUMRC-JXFKEZNVSA-N 420.514 1.121 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2ncn(C)n2)CCOC1 1751017154 CPUBBGGXGKWZFE-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1751499425 CXDIJWXXIDSJMI-BEFAXECRSA-N 420.514 1.881 30 10 HDEE Cc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1751660042 HJTZAUPIYRUKFJ-BEFAXECRSA-N 403.508 1.542 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1760174090 DKXVKUGMCKYPCD-YLJYHZDGSA-N 411.506 1.828 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)NCC)CCC1 1760238799 KTBVUWHSIYNUPA-IRXDYDNUSA-N 403.527 1.768 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(C)CN(C)C2=O)CC1 1760262223 JULSOZNARGZTMK-QHCPKHFHSA-N 422.533 1.111 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2([S@](C)=O)CC2)CC1 1760263201 RHGFBACRVRPLCZ-NDEPHWFRSA-N 418.592 1.300 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1760453668 DPQCLLPDJPZWAR-UHFFFAOYSA-N 400.483 1.858 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1760480582 YVJUJISIJALYDD-UHFFFAOYSA-N 421.505 1.553 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760511106 IQCGIADRZVADFI-UHFFFAOYSA-N 404.478 1.270 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Cl)cn2)C1 1760533438 HACDDYHBVORNSV-INIZCTEOSA-N 419.917 1.846 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCC(F)F)CCOC1 1760688558 KUBZYLNEPWCGIE-FZKQIMNGSA-N 414.457 1.296 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1760691864 TYGVEMHKKXYLKJ-LSDHHAIUSA-N 415.498 1.322 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1760698835 QGTUZICZIGKJDV-HZPDHXFCSA-N 402.499 1.540 30 10 HDEE Cc1nnsc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1761640543 CDPOMCRTDRPBGW-ZDUSSCGKSA-N 415.454 1.933 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC(=O)NC(C)(C)C)CCOC1 1765817375 DKVFKCDNNNCXLR-YWZLYKJASA-N 406.531 1.831 30 10 HDEE CCOCCn1c(COCC)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1766598532 BAZLZHNWUOYZCG-UHFFFAOYSA-N 415.498 1.915 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1768140387 TZRAHZKAMUMOGV-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE COc1cc(F)cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1 1768348615 CSXINCYBERMCBT-DZGCQCFKSA-N 421.498 1.972 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1771032894 OOHAMHUXGRHDIF-INIZCTEOSA-N 403.508 1.724 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1771112735 WNLMYKQGAJHVKF-UTKZUKDTSA-N 416.526 1.897 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1771204507 VDLOGSIHYYPCID-GDBMZVCRSA-N 416.482 1.620 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O 1772790666 UVIIIONRWDHYTP-UHFFFAOYSA-N 400.412 1.861 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772792981 RGHOQRHXRWCJSS-GFCCVEGCSA-N 417.443 1.734 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1Cc1ccc(C#N)o1 1772845002 ISXPVRKMBYETDB-STQMWFEESA-N 422.511 1.405 30 10 HDEE CN1CCN([C@H](CNS(=O)(=O)c2ccccc2C#N)c2ccc(F)cc2)CC1 1848962270 SQCOJNZDHGLCCJ-LJQANCHMSA-N 402.495 1.964 30 10 HDEE C=CCC[C@@H](C)CNC(=O)[C@@H]1CS(=O)(=O)CC12CN(C(=O)OC(C)(C)C)C2 1850555816 ZBZPCKOJJWSJQA-CABCVRRESA-N 400.541 1.987 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1 1851200767 NCQXPVNVRBIMHV-HNNXBMFYSA-N 406.446 1.059 30 10 HDEE CCc1nc(N2CCN(C(=O)COc3ccccc3C#N)CC2)c2c(n1)c(C)nn2C 1851907139 YADBFVPBLRMJDM-UHFFFAOYSA-N 419.489 1.833 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c1 1853265803 MUJCNINQSWOMGI-HNNXBMFYSA-N 422.489 1.634 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1=O 1854236061 ADZADMKIPXVRFK-CQSZACIVSA-N 423.300 1.835 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@H]1C 1854282582 LNLKIEBENGDVCZ-HZPDHXFCSA-N 423.510 1.472 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(Cc3ncno3)c3ccccc32)CC1=O 1854719757 HKHXSKFEEDDHKA-LSDHHAIUSA-N 409.446 1.620 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)COc3ccc(F)cc3)C(=O)C2)C1 1855005358 AFFHRUASPMCXQQ-SJLPKXTDSA-N 402.470 1.642 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)COc3ccccc3F)C(=O)C2)C1 1855007535 RFFLAEGFWKJJPV-IRXDYDNUSA-N 402.470 1.642 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 1855941907 OKOZQHHEKZNIEH-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2=O)CC1=O 1856030779 FYILDKILTYQGRZ-AWEZNQCLSA-N 415.881 1.193 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4cc(F)ccc4C3)CCC2=O)CC1=O 1856539685 DORNJQJDRIABGF-LPHOPBHVSA-N 413.493 1.984 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(N3CCOCC3)nn2)C(=O)C12CCCCC2 1856649060 HMTKUEOEIUWONC-UHFFFAOYSA-N 412.494 1.214 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862630153 NTBCZQZNUXSYRH-QGZVFWFLSA-N 412.354 1.894 30 10 HDEE N#Cc1ccc(COc2nonc2CC(=O)N2CCN(c3ncccn3)CC2)cc1 1872636533 VCYBRFXIXKQGPP-UHFFFAOYSA-N 405.418 1.202 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCC[C@@H](C)C3)ncnc21 1873560842 OSUCDJQGNGLPOZ-QGZVFWFLSA-N 412.538 1.604 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2[C@H]3CC[C@H]2CC2(C3)CN(C)C(=O)CO2)cs1 1889297196 JDSDJGHQDGSGBD-STQMWFEESA-N 404.492 1.053 30 10 HDEE C#CCO[C@H]1CCN(C(=O)CN(C)c2nc3c(S(C)(=O)=O)cccc3s2)C1 1891067296 PYLZHTFGCKXUCR-ZDUSSCGKSA-N 407.517 1.387 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1CO 2122390980 NPMUJADDCZLISW-AAEUAGOBSA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174778969 DGFFVOCBFAHIJG-LSDHHAIUSA-N 401.529 1.920 30 10 HDEE C[C@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243397789 JBFJCDQOXNBPTP-GFCCVEGCSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247801710 GJFLZLUCBQXHGA-UHFFFAOYSA-N 421.347 1.680 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826256 QUFXHGMRZNSCIM-OLZOCXBDSA-N 420.319 1.600 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826998 CQZFSNLRAOKTBJ-STQMWFEESA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2247829732 VLGTVDHZHCRKOE-CQSZACIVSA-N 420.319 1.742 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(F)c(B3OC(C)(C)C(C)(C)O3)c2)OCCO1 2255955424 NNEOLKLGUBMLAH-UHFFFAOYSA-N 401.265 1.166 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@H]3CN)cc2Cl)OC1(C)C 2267705702 KPGQVMWNRPYLEW-VHSXEESVSA-N 406.766 1.574 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCCNC3)sc2Cl)OC1(C)C 2281969344 LJOWHVZIMSURDU-KRWDZBQOSA-N 400.737 1.545 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281994948 WCPBACJMQTYDRP-UHFFFAOYSA-N 402.709 1.199 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282332055 VUPOJBCCYJTEMJ-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282334021 WHCYYEZOZFATKD-LLVKDONJSA-N 402.347 1.226 30 10 HDEE CCN([C@@H]1CCCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342566 IYYUVBMFZNMFIQ-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CN(C)C(=O)C(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282351717 FFUHEVIMUCHFKS-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@H]2C2(C)OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282553320 QQIQWQKYGMGPBR-HNNXBMFYSA-N 405.304 1.477 30 10 HDEE CN(C)CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)COC1 2282613570 MKZIGZSITLHDAQ-UHFFFAOYSA-N 400.737 1.761 30 10 HDEE C[C@H]1CN(C(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282619962 YNCCMHAFHACBKE-PHIMTYICSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCNCC1 2282843935 VAXPOXXSZKTPBX-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE C[C@@H](O)[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869442 CUBAMPPJHRHMHM-OLZOCXBDSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H](C(=O)O)C2)OC1(C)C 2284398575 ZJXNOYGUVCIVHQ-NSHDSACASA-N 401.315 1.284 30 10 HDEE N#Cc1cc(N2CCO[C@@H](c3cncc(CCC(=O)N4CCOCC4)n3)C2)ccn1 2296587332 YMAWULXGAGEUAC-HXUWFJFHSA-N 408.462 1.113 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2342052594 DHWWWVNSNIYVSN-DBXWQHBBSA-N 420.531 1.365 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 2365197919 CDJWLPGAFXPXPN-OWCLPIDISA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367790871 IBKDPIOUWRPXBP-ARFHVFGLSA-N 400.541 1.747 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805441 BMBDDRRPYUXHEP-FXUDXRNXSA-N 400.541 1.291 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2367806978 OWZZVKXSZGJLDX-LSDHHAIUSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367809851 QZUWEYWHIVJOKS-PMPSAXMXSA-N 400.541 1.306 30 10 HDEE C=CCOC(=O)[C@H]1[C@@H](c2ccc(O)c(OC)c2)[C@@H](C(=O)OCC=C)C(=O)C[C@]1(C)O 4223234 BBCOINOLRRIEDE-VWNVYAMZSA-N 418.442 1.899 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1C 10939084 HCYSCCYFHPKZQG-VQHVLOKHSA-N 424.457 1.204 30 10 HDEE C=CCn1c(=O)c(=O)n(Cc2ccc(C(=O)N3CCN(C)CC3)cc2)c2ccccc21 33272737 LCAJNJRFDXWVNR-UHFFFAOYSA-N 418.497 1.785 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccn2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103120199 KRMDUSCDYZUIKU-HMNTXPNISA-N 413.386 1.420 30 10 HDEE N#CCC(=O)NCCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 219763074 WLAYFNPOARGXGN-LJQANCHMSA-N 418.453 1.430 30 10 HDEE COC(=O)[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 409687688 PCOIBPUGKUYYTR-XJKSGUPXSA-N 410.434 1.517 30 10 HDEE C[C@@H](C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)n1cnc(C#N)n1 409862556 QMVSJSQDZFGACN-ZDUSSCGKSA-N 401.858 1.147 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 437982629 FHGKOMCZMJOJDP-LPHOPBHVSA-N 405.520 1.754 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 438894210 GDLMWWBIQYZVER-UHFFFAOYSA-N 413.499 1.959 30 10 HDEE C=CCN(C(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1)[C@@H]1CCS(=O)(=O)C1 441792998 ZXHLTCSBDNPXPR-MRXNPFEDSA-N 404.496 1.540 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2cc(Br)ccc2OC)CC1 460809322 MPXUMBVVCPKNHC-UHFFFAOYSA-N 410.312 1.447 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN(c3nccn(C)c3=O)CC2)c1 467159977 RJSUUHPPOOOUJD-IBGZPJMESA-N 422.533 1.855 30 10 HDEE COc1cc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 480112831 BPSLLLLNLZPDBX-AWEZNQCLSA-N 417.487 1.901 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCOc2ccc(C(N)=O)cc2)cc1 482522925 LNTCYBTUVCRYSY-SFHVURJKSA-N 424.482 1.966 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCOc2ccc(C#N)cc2)[C@H](C)O)cc1 500669287 VIHYEBBXKYNNCK-HNAYVOBHSA-N 417.487 1.090 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2)CC1 503642351 HYIRRWYIDFAQBL-LBPRGKRZSA-N 409.273 1.931 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1CCC#N 504247960 ZKHRUYCVYLTQOL-OWCLPIDISA-N 421.523 1.153 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506329555 FWHOEZNMJZNBKL-SFHVURJKSA-N 401.529 1.521 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 508825490 FLAWPNWWEKCAHN-CABCVRRESA-N 415.585 1.375 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)cs1 514328572 FHWILABVZHXOOX-UHFFFAOYSA-N 422.535 1.754 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COC)o2)c1=O 532447822 WIUNMGZXNXYFHV-UHFFFAOYSA-N 416.499 1.558 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 537173066 ZLLSOBFZSMTVEE-AWEZNQCLSA-N 403.508 1.324 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(Cc2cnc3ccc(C#N)cn23)CC1 539833347 SHAQERQEWHOVKO-UHFFFAOYSA-N 415.441 1.994 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 543083710 BAQGZAIRKGMPCM-QGZVFWFLSA-N 410.478 1.249 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CN3CC[C@H](O)C3)cc2C1=O 543835179 OIKLNPCHPIUTPH-IBGZPJMESA-N 419.481 1.965 30 10 HDEE C=CC[C@@H](CO)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 544034805 NOYNAPYHLCHVPL-AWEZNQCLSA-N 401.554 1.701 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)nn2)cc1 546924812 AZYJASBMWQEJCB-UHFFFAOYSA-N 418.461 1.574 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(F)c1 553572230 VXHQIRFPBBQETN-AWEZNQCLSA-N 409.464 1.439 30 10 HDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 555252548 NRCKYLPXAFIHMU-JOCHJYFZSA-N 422.537 1.745 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)c(OC)c1 555374697 CAWVRECTQRBJQN-UHFFFAOYSA-N 420.443 1.860 30 10 HDEE Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)n1 585471042 PPWXEALWLKQVLZ-UHFFFAOYSA-N 405.506 1.371 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 610035560 ORABRRXRTKGAQM-UHFFFAOYSA-N 423.521 1.184 30 10 HDEE COc1ccc(CC(=O)N(C[C@@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 611086487 XIFCZSVNUJAHQP-HNNXBMFYSA-N 421.519 1.409 30 10 HDEE C#CCN(C(=O)Cn1c(-c2ccc(F)cc2)c(C)sc1=O)[C@@H]1CCS(=O)(=O)C1 729334745 USEYYAWWGCSWTO-MRXNPFEDSA-N 422.503 1.673 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730140843 HVSYBUDLECJTMS-INIZCTEOSA-N 419.551 1.049 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)CC1 731756754 YKADCPCJHGHXLW-UHFFFAOYSA-N 422.482 1.359 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCOc1cccc(Br)c1 732448709 HMLBEBIYJCZORF-NXVVXOECSA-N 423.267 1.654 30 10 HDEE C#CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 744397174 CMYHFZJPNJGCCN-ZDUSSCGKSA-N 414.911 1.808 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 746306870 HCIAHNFIBSSMTJ-VXPUYCOJSA-N 411.462 1.588 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756136786 VMQFNAHKDIHGFK-CYBMUJFWSA-N 410.459 1.183 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)cc1 758195681 ZFBMJLOMYQZWEZ-HNNXBMFYSA-N 418.906 1.655 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CCCOC(C)=O)c2)CC1 765397785 NSBJSJBIEWCIRO-UHFFFAOYSA-N 402.495 1.634 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)cc1 766800141 KTXCIZIXFLAVGS-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 767228782 BTFGVMPPENHPGV-INIZCTEOSA-N 409.508 1.845 30 10 HDEE COC(=O)[C@H](OC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C#N)cc1 767450248 WLQPZRXAGFXJPW-JKSUJKDBSA-N 404.419 1.951 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCN1C1CC1 773310039 IRAMSWPFBZBHGK-CYBMUJFWSA-N 415.400 1.973 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774187247 GFYQRLSROHJFNB-JKSUJKDBSA-N 413.540 1.465 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 780280831 KLPDTZUUVCKCQR-UHFFFAOYSA-N 422.507 1.195 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 783016600 IXYZHPXVDDYJRW-RTBURBONSA-N 407.536 1.873 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)n1 789248840 IKGUXBAZVWNJKW-SFHVURJKSA-N 413.526 1.385 30 10 HDEE C[C@@H](C(=O)OCc1cn(-c2ccccc2Br)nn1)n1cnc(C#N)n1 791290798 XNLLRCMHRXOKBB-JTQLQIEISA-N 402.212 1.797 30 10 HDEE C#C[C@@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 792745467 INDKBGSCAULUSC-HOTGVXAUSA-N 417.535 1.501 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C1CCN(c3oc(C)nc3C#N)CC1)C2 794245635 LDZZUSLCBDSCBV-MGPUTAFESA-N 402.451 1.109 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccoc2)c1=O 794615262 TZHFDFYDKMPMTK-HNNXBMFYSA-N 402.472 1.038 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NCCNc3ccc(C#N)cn3)CC(=O)N2C(C)(C)C)cn1 794924607 KKSGTFFQBYZLBV-VQIMIIECSA-N 409.494 1.603 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795805416 JUKIRLNJHGHCRS-SECBINFHSA-N 410.832 1.198 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)COc2ccc3c(c2)OCO3)[C@@H](C#N)C1 796487384 TYTWGZNCGMTUEQ-LSDHHAIUSA-N 405.451 1.600 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)cc1 797327692 OHJOVTICAPPINV-ZDUSSCGKSA-N 401.444 1.331 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 798228781 VAXKDUIZLOTNDM-JOCHJYFZSA-N 404.474 1.890 30 10 HDEE C=C(C)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 802604544 PODRGOVWYDXJCT-SXLOBPIMSA-N 416.570 1.737 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 804160909 GRFKRCBFFJSCOA-UHFFFAOYSA-N 411.393 1.571 30 10 HDEE C#CCN(c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1C)[C@H]1CCS(=O)(=O)C1 809874871 AOXVWFVUSMNRDU-HOTGVXAUSA-N 418.519 1.981 30 10 HDEE Cc1cccc2c1OCC2=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 814851640 WLUGUYLUOUTASO-UHFFFAOYSA-N 401.492 1.535 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C#N)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 838644357 MWUWCRAIUMMTFV-UHFFFAOYSA-N 410.462 1.815 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 916711193 RDEXXUWWZNPTMB-SFKFPXOQSA-N 408.480 1.526 30 10 HDEE N#CCOc1ccccc1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 919811354 PMCKRSDPKAQPRN-UHFFFAOYSA-N 421.500 1.601 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)NCc3ccc(OCC#N)cc3)c2)NC(=O)NC1=O 1115970388 BVKCSLOGPJVXAW-NRFANRHFSA-N 407.430 1.643 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3cc4c(cc3[nH]2)OCO4)c1 1142001147 UYYFJIHUVFTHNN-UHFFFAOYSA-N 402.363 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cnn(CC#N)c3)CS(=O)(=O)[C@H]2C1 1142460874 AAVTVQGQKYEMHY-YUELXQCFSA-N 423.495 1.015 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC(=O)N1CCCO1 1143376619 IQFQLCZHVVNTSM-GOSISDBHSA-N 414.462 1.673 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1149056784 KEPVYNNPUCJOEW-INIZCTEOSA-N 406.508 1.255 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@H]2NC(=O)NC2=O)cc1 1149237159 DJPQVFPUENETRJ-LSDHHAIUSA-N 400.435 1.812 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1150520735 KTUFNMHAPWFMLR-DOTOQJQBSA-N 404.467 1.975 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1CCN(c2ccccc2C#N)CC1 1150621118 HSUJVICPRONGPR-LJQANCHMSA-N 404.536 1.750 30 10 HDEE C[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@H]1CCNC(=O)OC(C)(C)C 1155359462 QNMWTOJQPDQVDH-ZIAGYGMSSA-N 419.482 1.220 30 10 HDEE Cc1csc(CC2(O)CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1166307316 JUZBMRZLQCXUCW-ISLYRVAYSA-N 404.492 1.264 30 10 HDEE C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176431815 JYVGWVVGDIOLLA-BJLCURGVSA-N 423.363 1.579 30 10 HDEE N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)c1 1178373372 IMCHSUVEHOLDOH-UHFFFAOYSA-N 409.265 1.310 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC[C@@H](CC#N)C1 1196038945 HEKVVETZXKOVGS-SJORKVTESA-N 420.535 1.660 30 10 HDEE CCn1c(=O)c(C(=O)CN(C)[C@H]2CCC[C@H]2C#N)c(N)n(Cc2ccccc2)c1=O 1196833839 UPJRAEDIPGNIRE-IRXDYDNUSA-N 409.490 1.467 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1255069511 GAFRVVVJHSKUKJ-OSYLJGHBSA-N 404.511 1.270 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)cn1C 1265933477 XMTXPBIRFZFRBP-UHFFFAOYSA-N 415.519 1.411 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N(CC#N)c2ccccn2)CC1 1277788447 ZIVLAOWCSRGQQS-UHFFFAOYSA-N 403.464 1.644 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286389553 MIROWQHQNWILOY-MRXNPFEDSA-N 402.524 1.496 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286398521 KPQYQABGRTVDNM-VSZNYVQBSA-N 422.551 1.429 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1286399263 CLNQKLXSPOZOEZ-WWDZGPRUSA-N 421.567 1.556 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc(C)s1 1286457530 QXKDUSYNAUMZOL-IBGZPJMESA-N 420.539 1.613 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](OC)C(F)(F)F 1286465302 LMBOULCRQOIAIQ-QWHCGFSZSA-N 403.405 1.283 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286481254 AOINGUHSIIDRGC-IBGZPJMESA-N 424.524 1.678 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1286491510 VCYHKHPMBYCVEQ-PGRDOPGGSA-N 415.538 1.535 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCCO)CC1 1286491549 WXGUGPWSKTWWGH-UHFFFAOYSA-N 410.522 1.392 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCCC(=O)NC 1286561333 BEFCTTYRLVDBOG-UZLBHIALSA-N 418.542 1.344 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1286565530 APZWEKBOJZXUIW-RXBISOJRSA-N 417.601 1.592 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1286711203 IYVURKZPBQWZMR-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1286772473 DYFUKGBBHKDVCM-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCC2CC2)CC1 1286788207 RXRSXXCRGYWSPR-KRWDZBQOSA-N 403.527 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)NC(C)C 1286817771 YUHVPEIXGLIPPR-UHFFFAOYSA-N 409.512 1.408 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2cnnn2C)CCOC1 1288311812 FWALUYLCPNIBFM-VQTJNVASSA-N 414.514 1.626 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1288551153 JCGIUUDEABFCEP-WBVHZDCISA-N 412.494 1.855 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCN2C=O)cc1 1291833347 ZQRXBSVSKJRTOW-STIUTOJCSA-N 406.508 1.839 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1cccc(C(F)(F)F)c1 1293038031 HAQHSWZOSGCENL-CQSZACIVSA-N 412.393 1.947 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1296066334 BXONMTAURNIRHR-IAGOWNOFSA-N 406.556 1.404 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1298310655 UYRDDXNIKDVBIN-KGLIPLIRSA-N 409.508 1.891 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1cccs1 1298743269 NZBNJEKDIGNEPN-UHFFFAOYSA-N 416.532 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1300293637 RDOAKYNYIYIGOG-SJORKVTESA-N 411.506 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCCNS(C)(=O)=O 1300320435 HSMKRXIIJSKSCH-KRWDZBQOSA-N 419.551 1.871 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300381852 JOPZZSZFFZOXRL-UHFFFAOYSA-N 413.526 1.265 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1300464564 GOJMHUDLZBRDAG-LLVKDONJSA-N 412.409 1.167 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1300491812 IXMLRHPICMLRCN-HKUYNNGSSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(C)=O)c1 1300553770 RRDUDAXABVTFIC-UHFFFAOYSA-N 418.501 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1300601316 GBCHNZKUJRAMCQ-AEFFLSMTSA-N 418.567 1.651 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1300806008 OAZKZCWUCSJKBS-KBXCAEBGSA-N 422.942 1.722 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300870178 QWBUVBZNYZEREP-PZJWPPBQSA-N 416.570 1.702 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1300894815 KCQDKIVRDYUDBW-GOSISDBHSA-N 412.446 1.980 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301222705 DKCPQGLHKHAIEX-KDOFPFPSSA-N 409.512 1.177 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301490610 BNGBQRJJONDRTI-HNNXBMFYSA-N 409.494 1.137 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1cccc(C(N)=O)c1 1301491073 LJJPTVYSVMOASU-UHFFFAOYSA-N 407.478 1.321 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301506036 FPXFOEYGDWBDAQ-WMZOPIPTSA-N 412.513 1.983 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCO)C1 1303934313 QYXBIWRZIOGYNM-LPHOPBHVSA-N 409.556 1.863 30 10 HDEE C[C@@H]1CSCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1305239339 UUSLKBKOZOFMQJ-OLZOCXBDSA-N 407.521 1.635 30 10 HDEE CC(C)c1ncc(Br)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1305592440 PCRKMLIELZPDQK-UHFFFAOYSA-N 419.239 1.194 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(c2ccc([N+](=O)[O-])c(N)c2C#N)CC1 1306967317 KEAAMGXQUJYWGX-UHFFFAOYSA-N 421.401 1.841 30 10 HDEE C#CCCCS(=O)(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1309860613 SPPSCZUSKCQVGA-OAHLLOKOSA-N 402.513 1.508 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 1310162097 KMIFGWYJPSATFG-OVFHLDOESA-N 407.496 1.242 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1320350091 KUITWOIEWIIVHY-GOSISDBHSA-N 408.520 1.444 30 10 HDEE N#CC1(CC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 1349124484 XFIKVBQYGWDDKQ-UHFFFAOYSA-N 409.483 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1358874562 YTHFXGOUNWVHFL-IIBYNOLFSA-N 403.527 1.822 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1358959783 PPJVHTCNJNJKRJ-QGZVFWFLSA-N 400.504 1.990 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1358979186 FRJILVPXPHOEOP-BZSNNMDCSA-N 419.551 1.120 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1358994198 HGDJLEHPZWRJNI-REWPJTCUSA-N 421.501 1.320 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359123222 SEVFVBVPONNUOB-QGZVFWFLSA-N 404.540 1.606 30 10 HDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1359128325 QISVZTFHRIXGKP-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359130977 DKAQILGSWBFMRQ-UHFFFAOYSA-N 424.509 1.946 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCOCC2)C1 1359318711 KOYJVDNZAIWNCR-SFHVURJKSA-N 400.527 1.787 30 10 HDEE COC(=O)C[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCCOC1 1435996745 CMPMCARWAJJWNH-VBKZILBWSA-N 419.865 1.793 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1447586781 IDJSPYGZJBSITD-HUUCEWRRSA-N 403.446 1.594 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1449354274 ZBHCSKAPJBHAOC-UHFFFAOYSA-N 400.298 1.722 30 10 HDEE C#CC[C@@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1451181332 OKUDHFFPHQSEGW-HZPDHXFCSA-N 404.467 1.750 30 10 HDEE CCONC(=O)CNC(=O)COc1c(Br)cc(C#N)cc1OCC 1452840098 UMUJERHTKZIXSW-UHFFFAOYSA-N 400.229 1.282 30 10 HDEE C#CC[C@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1454051174 YNPMQHJOUAAUNB-INIZCTEOSA-N 406.504 1.778 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 1454942155 ROTCLHCCMZGOCX-UHFFFAOYSA-N 415.450 1.888 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NCc2ccco2)CC1 1455114725 IDUVQFUCZUKLBF-UHFFFAOYSA-N 402.476 1.117 30 10 HDEE COC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)o1 1464031811 JLPASUVEMGYLSE-UHFFFAOYSA-N 417.443 1.393 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3ccnc(C#N)c3)CC2)cc1 1467722225 FIQHKNQVXCDKMN-VOTSOKGWSA-N 405.458 1.483 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H](C#N)C3)CC2)cc1OC 1471765628 AIGOIESUMWAYAL-OAHLLOKOSA-N 421.519 1.867 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035400 IKYBYEJYUNSSCI-ZTENYAIWSA-N 411.524 1.467 30 10 HDEE COc1ccccc1N1CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 1473876896 CXGNMDPTMOYWPW-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@H](CC(=O)OCC)C(F)(F)F)c1 1474856995 SVVNIKNXZFQCQY-CYBMUJFWSA-N 406.382 1.410 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CC)CN2CCOCC2)cc1 1475973208 FUAOJMTZUNLDIE-INIZCTEOSA-N 410.540 1.725 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)C1CCOCC1 1476218867 MIKLKLVRBYXXIW-RDTXWAMCSA-N 401.463 1.918 30 10 HDEE C#CC1(O)CCN(C(=O)NCCC(=O)N(C)Cc2ccccc2Br)CC1 1477868303 ZDSUHXNQWXDHKH-UHFFFAOYSA-N 422.323 1.967 30 10 HDEE CN(CC#Cc1ccc(Cl)cc1)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1486343405 NCKLGPHYHKAQJF-ZJKGHYPUSA-N 402.922 1.866 30 10 HDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C1CC1 1503970271 FRDJWCJWQXTYTQ-VQTJNVASSA-N 424.505 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507535776 YWBBQGHGRUYUQB-VXGBXAGGSA-N 407.400 1.739 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1cccnc1N1CCOCC1 1507620163 BSHNKQCXFJUTHB-UHFFFAOYSA-N 423.546 1.983 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1507631468 PTXVFBQXZZMXFQ-MRXNPFEDSA-N 400.508 1.123 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)F 1507677215 VVTNRBKWTIJWQR-UHFFFAOYSA-N 419.407 1.840 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099453 XSAIABSXSGTZKE-SFTDATJTSA-N 421.542 1.626 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[S@](=O)C(C)(C)C)C1 1508130732 IMWSQPJSTOWIHF-BCOMRZATSA-N 423.583 1.729 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1C(C)(C)C 1508148831 KSOIEHYSHVDGPV-CQSZACIVSA-N 420.601 1.436 30 10 HDEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1512622974 MJTYGVNMVCRBBP-KRWDZBQOSA-N 421.505 1.400 30 10 HDEE CCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1514267387 CRHGWYXNNKEBEH-UEXGIBASSA-N 413.478 1.841 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1517517783 JVGHRLXOYDXNAP-RBUKOAKNSA-N 424.505 1.319 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1529534405 OWPSFEHVKVAPDJ-BZSNNMDCSA-N 402.491 1.802 30 10 HDEE Cn1nccc1[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1530750603 DLCQBQJHMNHJIC-KXBFYZLASA-N 423.473 1.844 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(C#N)c3)cc2S1(=O)=O 1536115876 FMKPYOHVPJMXKD-UHFFFAOYSA-N 415.427 1.610 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](OCC)C(C)C)CC1 1536641580 LIMSKNHESDKHHL-WMDQAZIPSA-N 402.535 1.924 30 10 HDEE C=CC[C@@]1(C(=O)NCc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1537250248 ZLBLKEMLSSTLJV-FQEVSTJZSA-N 416.482 1.390 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1537400510 VMXFZWJWFSPEOY-INIZCTEOSA-N 406.504 1.592 30 10 HDEE C#CCN(C(=O)c1nn(C(C)(C)C)cc1Br)[C@H]1CCS(=O)(=O)C1 1537469398 QXIGWVBZKRKOPH-NSHDSACASA-N 402.314 1.663 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1539161158 BBZCOEQAVSSJRY-UHFFFAOYSA-N 421.509 1.101 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(OC)CCOC1 1539417344 DRXMDIMJPQPEGD-NRFANRHFSA-N 402.470 1.900 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCOC2=O)CC1 1539467132 NKTAUYJQEMBACB-UHFFFAOYSA-N 416.526 1.384 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539759838 LPTFFILBUAYSRH-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1540186933 IYTYDSUCMMFKCB-HXUWFJFHSA-N 420.535 1.608 30 10 HDEE N#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1ccc(Br)cc1 1540671917 CCHSEIFUOZESDS-CYBMUJFWSA-N 410.249 1.797 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)O)C1 1540894560 AJYMTCIWXVGNHE-AWEZNQCLSA-N 405.524 1.822 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1540904478 NIEPGHHYCUURBT-SANMLTNESA-N 410.565 1.815 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1540916866 INRIIDAVUJSLDM-INIZCTEOSA-N 414.597 1.962 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@](C)(C#N)CN(C)C 1544117492 VNTCYOMGOLPFPA-MLGOLLRUSA-N 416.341 1.819 30 10 HDEE CCC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1545190729 VTONRHFPVXRRBN-KRWDZBQOSA-N 421.505 1.400 30 10 HDEE CCCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1547258812 DVRDMOYIWXGOOB-INIZCTEOSA-N 407.478 1.605 30 10 HDEE CCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1547716384 BDJCOWIPHZDIGH-MVZUJROASA-N 413.526 1.287 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C2CCC2)cn1 1554330038 WAJKCJMTWQJQEG-IBGZPJMESA-N 400.462 1.427 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1554868856 GHYRURWSIGMDAS-AWEZNQCLSA-N 424.383 1.361 30 10 HDEE CC(C)(C)OC(=O)[C@H](C1CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1559640069 KZQXGGZAWATPQS-SFHVURJKSA-N 405.520 1.985 30 10 HDEE N#C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1569055087 KCTRYEUFWMZEFN-NWANDNLSSA-N 415.309 1.043 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)[C@@](C)(O)c2ccccc2)cc1S(=O)(=O)NCC#N 1583462234 DYRZVEDREBIZRV-MGPUTAFESA-N 401.488 1.823 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN(CCC#N)CC3)c2)C[C@@H](C)O1 1587541215 AFMGVJPBMXAJDV-CALCHBBNSA-N 420.535 1.156 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1587773267 GRLBLNLVZNVRCE-UHFFFAOYSA-N 409.538 1.278 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1588120722 SCJGWVGKYWMTDE-UHFFFAOYSA-N 411.473 1.893 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1NC(=O)CO2 1588160553 XRVQQNJYMCKYBI-NSHDSACASA-N 400.416 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@H]1COCCO1 1588166244 BBXALVOEGDRMKZ-GOSISDBHSA-N 410.474 1.744 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)CC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1588181578 XFESZDOTSCREFA-KRWDZBQOSA-N 420.517 1.518 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(C)C)CC1 1588733080 MHIHEIJQWVDYKA-UHFFFAOYSA-N 402.543 1.332 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588751474 LAYVQBRCUPDSNY-FUHWJXTLSA-N 402.543 1.987 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589381729 HJZJETJPTOOPMO-CYBMUJFWSA-N 421.303 1.143 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1593747229 SBFWBVVPKQDVND-KZNAEPCWSA-N 424.567 1.636 30 10 HDEE C=C(Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1 1593789282 KATOBEVRDJYVLA-QGZVFWFLSA-N 417.535 1.814 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1593884255 GPVXHRBCMCDUTF-HOCLYGCPSA-N 424.958 1.735 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCn1cncn1 1595165281 DVUQGZABRRKOGZ-UHFFFAOYSA-N 412.523 1.946 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)(F)F 1595296364 DAIRUYCQYQSXSR-ZDUSSCGKSA-N 405.421 1.837 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1595467416 TVNOQKREILYATC-QGZVFWFLSA-N 416.526 1.212 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1615901926 MVOLMBNQLJTAAK-KUHUBIRLSA-N 410.494 1.606 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CCC1 1615923112 FKIYKTPTXGSLLM-CABCVRRESA-N 422.555 1.082 30 10 HDEE CCOCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1617143683 XENDPCWHBFYIQE-QFPXGYFVSA-N 418.498 1.171 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1618348222 WAEBVYYZANIDHW-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1621714875 GVUSLYNDFGNQCE-HOTGVXAUSA-N 408.499 1.233 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)CCS3(=O)=O)c1 1622414354 FZZOSAQFHFPVTJ-UHFFFAOYSA-N 417.508 1.743 30 10 HDEE CCOc1cc2c(cc1OCC)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1631784294 HOHRXNVGVTUIPF-UHFFFAOYSA-N 412.446 1.593 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)c2ccccc2)c1 1632983671 BZVMYPZZDPAABC-UHFFFAOYSA-N 403.435 1.673 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1633641208 SMECDABKNSISMH-CRAIPNDOSA-N 411.911 1.635 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1635160394 LIKIGHAITKNJKZ-SFHVURJKSA-N 416.547 1.354 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(CC)nc3onc(C(C)C)c23)CC1 1636480697 VLIHLOFDDBVUEI-UHFFFAOYSA-N 419.507 1.134 30 10 HDEE COC(=O)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc2ccccc12 1638411195 BDTVVQFZSRQSLO-GOSISDBHSA-N 406.398 1.394 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(O)CCCCc1ccccc1 1639058711 RKTIDAGPDFQOMI-HNNXBMFYSA-N 419.503 1.693 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@]1(O)CCOC1 1640754638 TWDKSKHOPVVMBM-KRWDZBQOSA-N 413.268 1.756 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)c3nc(OC)ccc32)s1 1644953075 HRXGSONNSOXLJC-UHFFFAOYSA-N 422.532 1.642 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1649540448 WIEXRXQLRNYDSQ-PBHICJAKSA-N 403.449 1.882 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(C)(C)C 1653072815 MEAPPYHKGKAKSX-IQUTYRLHSA-N 413.540 1.713 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 1660572837 XOONCOBYJFXWMI-QGZVFWFLSA-N 423.535 1.900 30 10 HDEE C=CCN(C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 1670448041 MIPWSSIGNRCUCD-HZPDHXFCSA-N 420.491 1.728 30 10 HDEE Cc1cc(S(N)(=O)=O)ccc1CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1672150572 MJDDYUIKRWOOEO-LJQANCHMSA-N 414.487 1.797 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 1679944202 IRYGEZBVEFPXOZ-GVDBMIGSSA-N 409.531 1.498 30 10 HDEE C#CCCN(CCOC)C(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1682701673 BNUXQUQTDBDRNL-APWZRJJASA-N 403.527 1.790 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1684354447 UVKYAUTUDSSSOB-NRFANRHFSA-N 420.517 1.686 30 10 HDEE C[C@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H](C)S1(=O)=O 1686929079 CBPKAPMMMCOZDV-IYBDPMFKSA-N 404.536 1.740 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1687208559 OGZHMMLHRUXDRX-XJKSGUPXSA-N 413.312 1.946 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689877092 PVZWVLXWEGUESS-YLJYHZDGSA-N 424.567 1.821 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1689987765 BVWARZUJGDQSHB-KRWDZBQOSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncc(CC)s1 1689999642 FOJTYOFJMWBNFO-ZDUSSCGKSA-N 406.537 1.028 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1690059687 VPVSXKMDALPGNM-AWEZNQCLSA-N 418.523 1.355 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N1CCOCC1 1690068171 ZZFGVUUTCRVVEU-UHFFFAOYSA-N 411.462 1.035 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1CCCO 1690188321 HLMGPPSLQQKNEM-LAUBAEHRSA-N 402.543 1.255 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCC(F)(F)F 1690669827 PYIHLTOIGYPGMT-UHFFFAOYSA-N 414.388 1.697 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1691003403 GSJAQULXDUHIEZ-LBTNJELSSA-N 423.564 1.745 30 10 HDEE COCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697999630 YRKNTITWHHDODP-MRXNPFEDSA-N 421.509 1.697 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705496116 ZYAHCHBHXJBPTD-NEPJUHHUSA-N 410.450 1.414 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1705531776 WGTDBQVDMFAZAI-HNNXBMFYSA-N 420.473 1.605 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CCCC1 1705547024 PVRWJTRYRZIURK-UHFFFAOYSA-N 416.551 1.921 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](COC)C1 1705664041 IIRRYLZZDDBMPL-KRWDZBQOSA-N 404.540 1.358 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 1705667766 SESPVUCBCBFABF-ABSDTBQOSA-N 422.551 1.364 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705721207 PSANGSYHWQTYPF-CYBMUJFWSA-N 406.512 1.200 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1705740731 VPPBQNSAMYVOOG-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1705768538 UNKYWHWIUJGLJM-INIZCTEOSA-N 410.540 1.616 30 10 HDEE C=CCN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC)C1CC1 1705850086 GLWZZZVZIABSAU-UHFFFAOYSA-N 400.508 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(F)F 1705901799 XATNTZNDDLICFI-UHFFFAOYSA-N 417.420 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2ccsc2)CC1 1705935275 LUCCSKPPVQLBJN-UHFFFAOYSA-N 409.581 1.825 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCCO[C@H](C)C1 1705937198 MBIILYSGUVTTJJ-MRXNPFEDSA-N 405.524 1.480 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1706153143 FZQOALNZHYOADS-OAHLLOKOSA-N 401.515 1.664 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1709142828 NRBCPLFOMAVEDC-SFHVURJKSA-N 423.521 1.543 30 10 HDEE COc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1711993237 FJIFMHJCVZCXTD-UGSOOPFHSA-N 422.486 1.387 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)C1 1712876944 XWVHKKBZAYQAJQ-FQEVSTJZSA-N 409.425 1.615 30 10 HDEE C#CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1722311375 UXVCVMKNGGPLIX-UHFFFAOYSA-N 405.300 1.786 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1722316018 ZHBUZCWPLAYZFB-MRXNPFEDSA-N 424.509 1.158 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722348786 PACAUGOYALNXRI-HNNXBMFYSA-N 403.508 1.305 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722507727 JBDPESZKOOOJHB-NUJGCVRESA-N 424.567 1.777 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCOC2)C1 1722710262 GHFDWHNCFBMEBP-BZUAXINKSA-N 413.544 1.096 30 10 HDEE Cc1ccc(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1724366210 GGYHCHAMDWEZSV-FQEVSTJZSA-N 418.501 1.848 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cc[nH]n1 1729409297 DBJCGGLTVGLWNS-GOSISDBHSA-N 420.477 1.791 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)NC 1740536880 NYXIMKLPKUQEGQ-CYBMUJFWSA-N 401.467 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(C(N)=O)CCOCC1 1740539654 QOAYYEHCDUBWFI-CQSZACIVSA-N 412.450 1.593 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740565575 XFKQUNUFARLMGJ-RTBURBONSA-N 414.554 1.475 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NC(C)C 1740642540 QWLWWCUAQQCTSE-UHFFFAOYSA-N 403.490 1.504 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC 1740660276 MHVOFIDKSXPGFA-UHFFFAOYSA-N 418.523 1.156 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1740663810 UNLLLQDRWQIJLB-QGZVFWFLSA-N 403.449 1.884 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1740677061 PWWNAAWOUFGWEX-VGOFRKELSA-N 424.480 1.486 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCn2ccnn2)CC1 1740697221 WENYLECLPPEYPF-UHFFFAOYSA-N 404.522 1.614 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740959005 YOZNBCIEMPPGLO-SQNIBIBYSA-N 419.489 1.275 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](COC)C1 1740963620 RBUODNYYJXZLSC-GOSISDBHSA-N 424.505 1.894 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nnc(C)s2)C1 1740977789 YIEVEFNVJWNAPO-OAHLLOKOSA-N 400.512 1.863 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)CC1 1741989221 CCNDMEKJTUKYLZ-INIZCTEOSA-N 402.499 1.336 30 10 HDEE Cc1cc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)n(C)n1 1742668283 SLRCNVLOQWAOFM-HNNXBMFYSA-N 413.432 1.966 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1742905175 AVAKUSBDIDKBBN-HNNXBMFYSA-N 423.521 1.646 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1748708048 SPXNEDNKTWDNHD-HXUWFJFHSA-N 421.549 1.886 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748817576 MSMUVXCHUDDDFA-ROUUACIJSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CC(=O)N1CCOCC1 1748902491 GRDBJYGIJWHNGO-UHFFFAOYSA-N 421.501 1.487 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749434219 LOJKQTVHRROUFA-AWEZNQCLSA-N 402.524 1.903 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1749487155 AZZKXOLNEAKSMB-UONOGXRCSA-N 421.489 1.687 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749658989 QPBWSXAJNZBPIJ-MRXNPFEDSA-N 410.522 1.856 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749697689 MMUTZYPQKJBTOK-KRWDZBQOSA-N 405.524 1.666 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1CCOC1 1749831152 WVPKXJGNAMGORO-OAHLLOKOSA-N 416.482 1.799 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1751813112 GBERFOGAMHXOCP-KRWDZBQOSA-N 420.433 1.923 30 10 HDEE C#CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760143371 DKQBIMYVYONYNV-UTKZUKDTSA-N 419.526 1.073 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(N)=O)C1 1760157467 QCISSKCMQSCXBJ-IBGZPJMESA-N 400.508 1.385 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCOC)cc1 1760173737 BCQHQRIGXLGNDW-QGZVFWFLSA-N 418.519 1.323 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1760233033 HYQDGFXZVLEFRB-SFHVURJKSA-N 417.535 1.427 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCN1CCC(O)CC1 1760245727 CNGQCVYPRKLBQW-UHFFFAOYSA-N 400.527 1.216 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCOCC2)C1 1760278671 CNMIRZGUHWXNEK-UHFFFAOYSA-N 402.524 1.431 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760283059 ABQPFTQHRFCQHF-UHFFFAOYSA-N 416.595 1.341 30 10 HDEE C#CCSCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1760286789 VNUDFDBMYBMOIH-UHFFFAOYSA-N 406.600 1.589 30 10 HDEE C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513939 KUSWUUPXRYGJQA-NRFANRHFSA-N 420.558 1.151 30 10 HDEE CCOCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CC1 1766513542 XYNSVSLPTMCNDK-UTKZUKDTSA-N 419.526 1.866 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](CC(C)C)N(C)C)CCOC1 1767481911 FDGSSBUTRGIFRY-WAOWUJCRSA-N 420.558 1.635 30 10 HDEE CCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1768134512 YJEOZZPVTGAHPD-SFHVURJKSA-N 412.494 1.902 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCO1 1769243650 MDTLECGREYWTFR-LJQANCHMSA-N 421.505 1.030 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(C)CN(C)C1=O 1769841366 BZIBJSMVSGLRCC-IBGZPJMESA-N 417.901 1.838 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)CCCO1 1770044057 KXJMPYYXQLRTJT-PLMTUMEDSA-N 418.542 1.748 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCOC1 1771219208 JRPFOLXIRPTYPB-AOIWGVFYSA-N 418.542 1.605 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC(=O)N2C(C)(C)C)cn1 1772791100 YXBCAMGDKQUARZ-NVXWUHKLSA-N 410.430 1.863 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCC(COc3cccc(C#N)n3)CC2)CC1 1848921439 SCUUMAKVHCTBKB-UHFFFAOYSA-N 406.508 1.242 30 10 HDEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)COc2ccccc2C#N)CC1 1852407875 NHNYATKWPKSMPG-UHFFFAOYSA-N 422.485 1.801 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852449465 WYWRGHYTPALELN-MAUKXSAKSA-N 408.414 1.678 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)NN1c1ccc(Cl)cn1 1852738582 HNWNZNWIDBPIRL-VXGBXAGGSA-N 400.870 1.662 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c2ccccc21 1853065813 BQRPQBKGCGWZOF-INIZCTEOSA-N 420.535 1.566 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)c1cn(C[C@H]2CCOC2)nn1 1853436506 DFSCAHHYLKYUMD-GOSISDBHSA-N 407.478 1.783 30 10 HDEE Cc1cccc(C(=NOCCN(C)C)NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c1 1853523275 BTUFZLNFTQTRCT-UHFFFAOYSA-N 416.503 1.708 30 10 HDEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(Cl)c3)C2)ccn1 1853666823 KQSLIWFJOUZVSN-MRXNPFEDSA-N 407.835 1.909 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1=O 1854179336 PSHOCHWEEIGFRP-WOJBJXKFSA-N 406.486 1.937 30 10 HDEE Cc1noc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)n1 1854244975 TZCJTVUGJOGDLI-GOSISDBHSA-N 408.462 1.117 30 10 HDEE COc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854394054 WWJHFZZTOVUSEY-MRXNPFEDSA-N 402.428 1.657 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCc3ccccc32)C(=O)C12CCCC2 1854428658 FBVICXNQIVKLJV-GOSISDBHSA-N 415.515 1.943 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CCc2ccc(Br)cc2)CO1 1854502845 KGNPRPXJPNNDAX-ZDUSSCGKSA-N 403.254 1.394 30 10 HDEE CCc1nccn1CC1CN([C@@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854860216 PDUDKQWPQCFLEO-LJQANCHMSA-N 406.490 1.865 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1855164021 USPHKEAQEMSEFP-IBGZPJMESA-N 423.579 1.750 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855587704 ORENCBPUEJKZNM-CQSZACIVSA-N 401.492 1.490 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(Cc3nnc([C@@H]4CCOC4)o3)CC2=O)cc1 1855916638 XQKNDJLGPYBJKU-QGZVFWFLSA-N 409.446 1.249 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3cncc(Cl)c3)C2=O)CC1 1857070788 VMBGQWKQJGZRHO-KRWDZBQOSA-N 410.865 1.565 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cncc(Cl)c2)C1)[C@H]1CCN(C)C1=O 1857074849 RMBNWZCNQMTQIG-PBHICJAKSA-N 404.898 1.833 30 10 HDEE CN1CCN(C2CCN([C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)C1=O 1857077987 UAIIESYUBOAQTQ-IBGZPJMESA-N 409.490 1.060 30 10 HDEE Cn1ccnc1[C@H]1CCCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857081997 HQTUQEIHWUUSGX-AEFFLSMTSA-N 406.490 1.945 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)CC2=O)c1 1857323518 BINSHRIPLYIJOP-QFBILLFUSA-N 410.474 1.411 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1857356258 CZPRBJRBQHJSFF-LPHOPBHVSA-N 412.465 1.932 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(F)c(F)c3)C(C)(C)C2=O)CC1=O 1857416824 UOLDKFJLQMQSPO-OAHLLOKOSA-N 405.445 1.949 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1862630577 WYFNVPCAKOOXBK-QGZVFWFLSA-N 412.354 1.894 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ncc(I)cn1 1888086998 UKUFVSWRFDDNKE-UHFFFAOYSA-N 402.192 1.548 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889525352 QWVOOFUFAIJNQP-UHFFFAOYSA-N 405.564 1.416 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)nn2)cc1 1891555232 QILFUOFLZYYFQD-QGZVFWFLSA-N 419.445 1.680 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@@H](O)C1 1962847927 DWINWTZSCODQTN-ZDUSSCGKSA-N 415.899 1.814 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895198 IFKGGCGXBGBGBW-IUODEOHRSA-N 421.303 1.593 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)CCC1 2054403407 OUYNFRDXBKBRCL-QGZVFWFLSA-N 407.492 1.637 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 2118169214 NRLHJSFGBSGZOF-GFCCVEGCSA-N 400.526 1.449 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC(C)(C)C#CC(=O)O)C1 2138046201 ZTZJXZQALCVIKS-HRAATJIYSA-N 402.447 1.785 30 10 HDEE C#C[C@@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2150258244 AJZBTDXPXOKZQM-SECBINFHSA-N 405.213 1.633 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174790154 ZJXSSXWXESICRK-GWQKEKGPSA-N 414.509 1.655 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 2180103981 KCLQUFKUXQLOBY-NWDGAFQWSA-N 412.430 1.481 30 10 HDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 2201804082 AJVNRXAOMRIHLH-ZDUSSCGKSA-N 405.347 1.157 30 10 HDEE CC[C@@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243387084 MXRARDYKVFNFPD-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247826942 BUFNEZIJXGKMEP-UHFFFAOYSA-N 418.303 1.544 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247828779 PSKFUFDGENGWJN-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838542 JIRSNULYKKABSM-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCN1C(=O)OC(C)(C)C 2247928347 AZDWQWJYZHZILC-UHFFFAOYSA-N 419.291 1.278 30 10 HDEE CN(C[C@@H]1CCN1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704573 PUPXNYNBTPEJHP-JTQLQIEISA-N 406.766 1.683 30 10 HDEE CSCC1CC(NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282328632 AJRNUTVVMXOEAT-UHFFFAOYSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCN3CCSCC3)s2)OC1(C)C 2282337892 KFDKJTDXHFNHDI-UHFFFAOYSA-N 418.415 1.374 30 10 HDEE CO[C@@H]1COC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338690 PCUPSLWEVQTLCF-QWHCGFSZSA-N 403.331 1.082 30 10 HDEE CC[C@H](O)CN(C1CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282416725 AAGBZIZKHBCXGW-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE CCc1nnc(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)s1 2282501101 SIFQDYMZXDCBDK-UHFFFAOYSA-N 416.359 1.798 30 10 HDEE CN1CCC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282506212 OXBZGWPLJRDHOK-CQSZACIVSA-N 400.375 1.561 30 10 HDEE Cc1nc(S(=O)(=O)N2CCS[C@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510697 CMXBDTJIUODNJN-LLVKDONJSA-N 401.363 1.154 30 10 HDEE Cc1nc(C(=O)N[C@H]2CCS(=O)(=O)[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282519492 LJBKRPMIGDEDJC-KOLCDFICSA-N 400.331 1.056 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C 2282585785 QBXCDHRWJLNVEP-GHMZBOCLSA-N 400.331 1.056 30 10 HDEE CCNC(=O)C(C)(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848815 SCTIUZVRBQIIDH-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282850781 SXVDDINTAYWJAO-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282862036 XWEVKZOAWQVMGV-SHZVTRLKSA-N 401.359 1.373 30 10 HDEE C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883119 WDQDRBAPNXZITI-OCCSQVGLSA-N 401.359 1.971 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284393784 PNLQVKKBAJIHLV-LLVKDONJSA-N 403.331 1.578 30 10 HDEE C[C@@H]1C[C@]1(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400172 SJWZCHALEICZCZ-QLJPJBMISA-N 401.315 1.436 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)C(=O)O 2284403274 RJZBVZNHIJKMIF-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284404397 XVSNLCSEPFVERE-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CS[C@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413561 LTZVZJDBFMKEOM-SKDRFNHKSA-N 421.371 1.530 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H](O)CCC(=O)O)sc2Cl)OC1(C)C 2284466576 QKIJHHUGYNGZHT-VIFPVBQESA-N 403.693 1.656 30 10 HDEE CO[C@H]1[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2286749998 SKPGXTRPDINXIZ-UMNHJUIQSA-N 423.749 1.127 30 10 HDEE C=CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2316822139 ODMFVHDIVBELGL-INIZCTEOSA-N 408.476 1.792 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2C(F)(F)F)cc(OC)c1O 2331128598 VNUJKXUSVPMAMD-UHFFFAOYSA-N 405.358 1.479 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 2357224003 FPKUKLBGGJGAJN-BZUAXINKSA-N 402.442 1.729 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C 2367784071 AHRKTKUOQYFYCD-ZIAGYGMSSA-N 413.565 1.748 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367808337 BWHKAMDPXLSNMH-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE C=CCn1c(=O)/c(=C/c2sccc2C)s/c1=C(/C#N)C(=O)NCc1ccco1 13096252 QTNGWXFTAJAXDT-PXTPZRTHSA-N 411.508 1.878 30 10 HDEE NS(=O)(=O)c1ccc(NC(=O)CCSc2nnc(NN=C3CCCC3)[nH]2)cc1 20836701 WYIPHPHKAOQAOF-UHFFFAOYSA-N 423.524 1.915 30 10 HDEE Nn1c(NN=C2CCCC2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 21327707 VXTIMGGYOLLVHL-UHFFFAOYSA-N 403.468 1.836 30 10 HDEE COc1ccc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] 254508458 MLWWPNWLURXPAS-UHFFFAOYSA-N 404.404 1.381 30 10 HDEE COCc1noc(CN2CCN(c3cc(C#N)c4cc([N+](=O)[O-])ccc4n3)CC2)n1 302503093 DGTADNQRXWPTRZ-UHFFFAOYSA-N 409.406 1.866 30 10 HDEE CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)C1 430383129 BTHYJKAOFXALQD-GOSISDBHSA-N 411.506 1.601 30 10 HDEE C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 437868480 PVZYQYQULXZOTP-ZDUSSCGKSA-N 403.508 2.502 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2cnc(N3CCOCC3)c(Br)c2)CC1 440018097 FGCLLBCRIMRMDU-UHFFFAOYSA-N 422.283 1.429 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447789258 YQAFDJGTANBQOK-UHFFFAOYSA-N 419.510 1.458 30 10 HDEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 460776863 DNIUTSDFXAFAMR-GOSISDBHSA-N 409.538 1.967 30 10 HDEE COc1cc(N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)ncn1 461164134 QPCIKWNUZDEFJA-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 468232513 ZEFKACFIPGNMDR-SFHVURJKSA-N 400.523 1.745 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 478184265 YANALGFEMNQIKP-INIZCTEOSA-N 422.526 1.546 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCN1c1nccn2cnnc12 480734469 PUQPXROGAUOAAA-CYBMUJFWSA-N 415.454 1.176 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1 486015790 FRVPTLXHQCSSTF-GFCCVEGCSA-N 424.504 1.213 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@](O)(C(F)(F)F)C3)C2=O)cc1 487165416 RDDQDQCTROLEIM-CRAIPNDOSA-N 410.396 1.758 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)C2)nc1 490027652 BFBBVSJDWRCWKG-KRWDZBQOSA-N 412.471 1.261 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 490479908 MEVOMHALQFZTIP-UHFFFAOYSA-N 415.519 1.714 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508809696 MVMCWZBURHTWOR-KBPBESRZSA-N 412.560 1.205 30 10 HDEE C=CCn1c(COc2ccc(OC)cc2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508958747 BTLVSEAIRXGAJW-OAHLLOKOSA-N 406.508 1.923 30 10 HDEE Cc1cc(C)n([C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 518765787 IRSNLFFQMANJKY-INIZCTEOSA-N 401.492 1.466 30 10 HDEE CCC1(CC)CN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCS1(=O)=O 527254739 TWGOEFGYLLECHD-UHFFFAOYSA-N 408.524 1.887 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1-c1ccccc1C 532164547 NZKSXUBYTDBWFK-UHFFFAOYSA-N 411.508 1.527 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](c4nncn4C4CC4)C3)CC2)o1 540339644 RNDKLYPABYTMDK-INIZCTEOSA-N 424.509 1.309 30 10 HDEE Cc1cc(C(=O)O)ccc1N1C(=O)C[C@H](N2CCN(c3cccc(C#N)n3)CC2)C1=O 546204332 MRGAFSJQGQJFBY-SFHVURJKSA-N 419.441 1.414 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@H]2CCCCO2)cc1 549662183 XWMIUOYRRWRTTE-VQTJNVASSA-N 408.506 1.907 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)CC2)c1 552144953 AJDWYDOARYAXKA-GOSISDBHSA-N 421.494 1.382 30 10 HDEE CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 583050035 KEPRDYUBOHTMBM-KRWDZBQOSA-N 403.458 1.378 30 10 HDEE COc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1OC 585227237 UPAZRBSJGFVHOE-UHFFFAOYSA-N 417.491 1.560 30 10 HDEE N#Cc1nccnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@H]2CCCC[C@H]2O)n1 585608754 HPYFYEIZJRTPKE-RYQLBKOJSA-N 409.494 1.852 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)cc2F)CC1 609230889 CNCPFVZGTVEWCI-UHFFFAOYSA-N 419.482 1.754 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)NCc3ccc(C#N)cc3F)CC2)no1 609253795 LDZJHZVTCKMEOV-UHFFFAOYSA-N 400.414 1.460 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c(OC)c1 616175579 XALJEZDQBYHBRA-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C(N)=O)cc1 727418554 SPIRKESVFVJSCX-CYBMUJFWSA-N 421.478 1.709 30 10 HDEE C#CCN(C(=O)c1ccc2c(C)nn(-c3ccccc3)c2n1)[C@H]1CCS(=O)(=O)C1 729334675 AOGQIDQFXMVNGK-KRWDZBQOSA-N 408.483 1.991 30 10 HDEE CC(C)OCCCNC(=O)[C@H](C#N)C(=O)CCC(=O)N1CCOc2ccccc21 731768343 HFEKXXOIVQBTAF-MRXNPFEDSA-N 401.463 1.832 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H](C)CS(C)(=O)=O)C1=O 733201536 LNEZHAZAYNTBLM-BXUZGUMPSA-N 408.505 1.059 30 10 HDEE COC(=O)[C@@H](OC(=O)CCc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1 740200443 JSMWTTGNRLQSJU-SFHVURJKSA-N 402.428 1.596 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H](O)C1CCOCC1 740975755 VSBPQGGRVUAYNV-SFHVURJKSA-N 407.467 1.282 30 10 HDEE CCc1cnc(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 742804954 KTXZSLGFCBFVGG-LBPRGKRZSA-N 406.533 1.882 30 10 HDEE C[C@H](CC(=O)OCCN(C)CC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 744153755 IINLFZHAGPMBSA-LLVKDONJSA-N 407.414 1.541 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCOc1ccc(Br)cc1 746177265 FMRBAANHXCADNO-MSUUIHNZSA-N 408.252 1.861 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](O)c1cc2ccccc2s1 757684960 IDYSBNBQTQYVLQ-MGPWXQLLSA-N 400.460 1.760 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@]34CCO[C@@H](C)C4)CC2)o1 759673425 SNOIQUQEENTTRQ-KPHUOKFYSA-N 402.451 1.252 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)N2CCC3(CCCCC3)CC2)CC1 765186328 RJRNLFZQBVLLQD-UHFFFAOYSA-N 410.584 1.035 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 770109529 GPWIVOWBZBZPPT-QXGUJMOYSA-N 415.556 1.813 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC[C@@H]1CCCC[C@@H]1O 771065200 XPOROQHZZOWBTJ-RDJZCZTQSA-N 407.536 1.953 30 10 HDEE C=CCc1cc(C(=O)NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc(OC)c1OC 777341962 HZGMTTWRFDQJMM-UHFFFAOYSA-N 418.471 1.911 30 10 HDEE C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCN1CCO 779405653 RPDBADSDYIUPTI-GALDBLJUSA-N 423.539 1.030 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 780207343 XOHCPRMLTYAOPF-FRXJQHJJSA-N 411.458 1.929 30 10 HDEE CC1(C#N)CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 780334247 JTZCHNKXVZRNBP-WJDWOHSUSA-N 413.503 1.860 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 781520527 ZUGJYTRTLGVRJE-CQSZACIVSA-N 407.409 1.020 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(C[C@@H](C)C[C@H](C)C3)C2=O)n1 788370369 SMCFTVPVDVSRPZ-IRXDYDNUSA-N 401.511 1.669 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(C(=O)OC)c2)n1 788693244 PEHLOMCMUDVLDF-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C)c(NC(C)=O)c2)n1 788693459 DJPSZEQCUMAEIO-UHFFFAOYSA-N 404.492 1.620 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)n1 789208570 ZPFZFWBHHWNCQD-IAGOWNOFSA-N 405.499 1.541 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cccc2c1OCO2 789968116 JIPMQPSZWQFPRX-GFCCVEGCSA-N 400.464 1.892 30 10 HDEE CC(C)CCNC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807956215 NQMSSBHDSGGDCX-UHFFFAOYSA-N 407.359 1.941 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@H]1CCS(=O)(=O)C1 914539557 FNKGJYWLSNLIHA-GOEBONIOSA-N 421.544 1.782 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nc1 1116870544 BJZVWEBOGKAQTB-INIZCTEOSA-N 420.429 1.499 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1 1124958718 PFRXVTNJOWKUAJ-UHFFFAOYSA-N 401.463 1.699 30 10 HDEE C[C@@H]1[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCS1(=O)=O 1132227131 HPIHFRYPUKHUAI-TZMCWYRMSA-N 418.475 1.714 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)CCOCC1 1133710124 SOLGSQVSHIXCLC-CALCHBBNSA-N 420.531 1.787 30 10 HDEE C=CCn1ncc2ccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc21 1134572687 PLWOGVFKIGBTGB-HNNXBMFYSA-N 415.475 1.326 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1161618119 DHAPWVOHWHTBSU-LJQANCHMSA-N 420.473 1.441 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1169299493 GQNODDCACNMGQD-HNNXBMFYSA-N 410.492 1.061 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cn2)CC[C@H]1F 1196293422 LEKACTYWTKYFST-HUUCEWRRSA-N 412.487 1.664 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC 1196778581 NPPQEHUFDLWMKK-HNNXBMFYSA-N 409.508 1.982 30 10 HDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1197541984 XQYMBDRPWYNCDN-UHFFFAOYSA-N 412.512 1.793 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(Oc3ccc(F)cc3)nc2)CC1 1207302727 SPPPMHFSJGKRSA-UHFFFAOYSA-N 404.467 1.598 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)C2)nc1 1212017259 BPYFJICMJLZZSG-LLVKDONJSA-N 404.379 1.369 30 10 HDEE C=CCC(C)(C)CNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1221807792 CEHIPMSMSSTGQQ-UHFFFAOYSA-N 410.320 1.813 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 1253779661 QXPGKCCSZLYGBZ-GOSISDBHSA-N 402.495 1.908 30 10 HDEE COC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H]1CCC[C@@H](OC)C1 1277969206 BSKDBCPUAWAVJU-QQTQMKHKSA-N 413.474 1.774 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1286290229 RGYYWVBAMRHAFZ-CQSZACIVSA-N 419.489 1.176 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286391920 JVNQYPXDXDUFHV-MSOLQXFVSA-N 406.552 1.817 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1286409103 IDYQOXFVZQCWGB-INIZCTEOSA-N 422.576 1.165 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1286435717 HIXLJIQYFPTXPB-UHFFFAOYSA-N 417.473 1.727 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286492173 DJXKWGAFNUHXQE-CVEARBPZSA-N 423.464 1.172 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1286523361 TYNMIMRUFJBYLM-KBXCAEBGSA-N 405.549 1.986 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286583250 JDBPMKFOAKFFIH-MRXNPFEDSA-N 424.571 1.084 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286612770 YCCJOBHNGFATME-IAGOWNOFSA-N 403.527 1.870 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286770617 QZCNKTRTUCSKRT-AWEZNQCLSA-N 419.507 1.812 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286788540 YEJWCLSCAFZCTA-MRXNPFEDSA-N 411.510 1.108 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)NC)C1 1286804862 OSHURYBVMNJVDR-KRWDZBQOSA-N 421.523 1.284 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Cn2cccn2)CC1 1286823297 UCVSZAAKOSMMPQ-UHFFFAOYSA-N 418.567 1.945 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1COCCO1 1287216429 FBEUHMBPXBYUHO-SFHVURJKSA-N 411.510 1.800 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCO1 1288356895 AOIAOFUVJTUGIR-DLBZAZTESA-N 414.466 1.372 30 10 HDEE Cc1cc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnn(C)n2)c2ccccc2n1 1289352322 DTQRGJZFPANWHS-ZDUSSCGKSA-N 402.466 1.969 30 10 HDEE Cc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1290803268 GURIBQACYMLFET-RAJOGRCSSA-N 409.450 1.166 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](COC)OC 1292083389 DUULOPTZXXBSJS-UZLBHIALSA-N 406.531 1.988 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C 1298178523 NBWZJECIDLPTDI-MOPGFXCFSA-N 409.552 1.688 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1300364700 LVGUXDMHSWJAPP-IAGOWNOFSA-N 407.540 1.089 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCc1ccc(OC)c(OC)c1 1300531646 DSSGFZRUOVDUJQ-GOSISDBHSA-N 421.501 1.952 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1300602451 FKDZGKXCDSZHFB-DENIHFKCSA-N 419.570 1.747 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CCN(C(=O)OC)CC2)CC1 1300726786 RETJEPNLHKKAJR-UHFFFAOYSA-N 416.526 1.285 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1300927450 CWBANNIUPMGVFN-UHFFFAOYSA-N 420.539 1.709 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1300970063 JCLPNSGGVHEWPQ-PMACEKPBSA-N 405.499 1.926 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CCOC)CC1 1301079735 JQOPLRBFBHKRSN-HXUWFJFHSA-N 403.483 1.950 30 10 HDEE C#CC1(O)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CC1 1301220235 ZVAKVYKQGCQOIX-UHFFFAOYSA-N 418.291 1.507 30 10 HDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1301258953 DEIMJTYCHJWEQE-UHFFFAOYSA-N 423.564 1.431 30 10 HDEE C=CCCOCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@@]1(OCC)CCOC1 1301261514 HAIXRIGTIDVFFJ-HXUWFJFHSA-N 417.514 1.443 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2CCCO2)CC1 1301475710 WUTUVLRFGJVRGP-QGZVFWFLSA-N 416.526 1.212 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(O)cc2)CC1 1301497781 DOMATXZRPISQET-GOSISDBHSA-N 424.505 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC2CC2)CC1 1301589905 ZUANAJXSWVLMIJ-GOSISDBHSA-N 423.583 1.653 30 10 HDEE CC(C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1302466807 DMAXIFAFEYMBKU-KRWDZBQOSA-N 409.494 1.509 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)C1 1303946841 HRIITUUEOIEQJR-XMSQKQJNSA-N 424.505 1.714 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)C1 1304596853 WMQDOGNXGNCNFF-UHFFFAOYSA-N 416.421 1.313 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1304935509 SPNQMNOTZVIZIT-RPBSFSNWSA-N 418.494 1.905 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1306244034 BJJYYKGSYYEREU-SFHVURJKSA-N 404.478 1.622 30 10 HDEE COC(=O)c1ccc(N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c(C#N)n1 1307192650 ASHDYMQKQQKSCK-AWEZNQCLSA-N 402.451 1.875 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1312735883 QALGLBWCDWOJJH-UHFFFAOYSA-N 409.508 1.423 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCO)CC1 1316533611 XEFCZNRHEQVORN-GOSISDBHSA-N 411.510 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC(F)F 1358896819 MNINBSUTPPODKX-NSHDSACASA-N 410.450 1.109 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1358911014 IOCVEYTYHRLCFO-KKSFZXQISA-N 401.511 1.807 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358963373 GTTCCWPQUQXVDB-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1359008884 CLLSGEYOFJFOKB-GDLZYMKVSA-N 415.567 1.680 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1359021418 NZBWNXHLIQXJQZ-UHFFFAOYSA-N 422.489 1.152 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1359049984 BNTYDMNDSRLGJP-UHFFFAOYSA-N 418.611 1.770 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1359126241 JXNVDYYLUMKQRZ-UHFFFAOYSA-N 411.514 1.759 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)CC1 1359129649 IRLZGIYCUPVFMF-UHFFFAOYSA-N 418.519 1.878 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1359132066 MAOCDTUVNYJZCO-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359134870 JZSHBJXCSGJBRU-SFHVURJKSA-N 419.551 1.864 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1359150795 GTBZOOOYAAFHFB-IHRRRGAJSA-N 415.947 1.456 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359298581 FFMQDNHLMUNIMN-KRWDZBQOSA-N 422.493 1.053 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359341563 AIPDNBUAFOUKGT-IBGZPJMESA-N 404.540 1.889 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1449528152 AFPQLXOMCGVZQY-QGPMSJSTSA-N 418.469 1.620 30 10 HDEE C#CC1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1452178840 VMEGYFMJZQFJFS-UHFFFAOYSA-N 417.531 1.172 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OCC 1454709585 FXRTYMJHYZOEMR-QMMMGPOBSA-N 421.767 1.517 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OC 1455837165 PUYJTJSSGOHYGT-QVKFZJNVSA-N 417.462 1.476 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cnc(C#N)c(C#N)n2)CC1 1458249588 SGOSXMJKYARNAI-UHFFFAOYSA-N 418.866 1.393 30 10 HDEE C#CCN1CCN(C(=O)CN2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)CC1 1460749185 HNNCEFJCRHSLHF-FKBYEOEOSA-N 409.530 1.750 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCCOC1 1466310369 NJVNVQVYHKRRCF-KRWDZBQOSA-N 415.874 1.632 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 1468477971 FAZUGJIULRNDNP-MRXNPFEDSA-N 402.472 1.782 30 10 HDEE C#CC[C@H](NC(=O)CCOc1cccc(I)c1)C(=O)OC 1468874843 DGSPEPZMOQFZHT-ZDUSSCGKSA-N 401.200 1.741 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](CC)Oc2ccccc2C(C)C)CC1 1471450695 HCCASTIAVLWOEF-GOSISDBHSA-N 407.536 1.579 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1cn(-c2ccc(C(F)(F)F)cn2)nn1 1471527323 WUFWMVXQLHNPNO-MRVPVSSYSA-N 419.232 1.969 30 10 HDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N3Cc4cccc(C#N)c4C3)ccc21 1472590931 FGKHTMNTDRAXQQ-UHFFFAOYSA-N 404.430 1.405 30 10 HDEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478710984 JGALIJADHRTEAU-QWQRMKEZSA-N 414.528 1.260 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)C1 1479314922 XJGYTCKNFLVDDC-YOEHRIQHSA-N 408.424 1.986 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1501194859 ZKECTBWFJGYQPN-UHFFFAOYSA-N 407.478 1.154 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 1505123517 HUSVFTMCJVTSEO-SFHVURJKSA-N 413.503 1.787 30 10 HDEE CSCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505245875 MCMVKZODDAQYOT-KRWDZBQOSA-N 400.556 1.998 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO2)c1 1507550864 RAJKMUBZSZLEJN-MSOLQXFVSA-N 422.489 1.464 30 10 HDEE C#CCCCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1507596742 OWIKEEIAPVFLHW-HNNXBMFYSA-N 402.499 1.700 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(C(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1507635079 PJTOQTSHCUXPPI-IBGZPJMESA-N 421.611 1.976 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCC(=O)N(C)C)CC1 1507740815 ZINAZEJDTIQMLS-UHFFFAOYSA-N 414.554 1.455 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1507781500 AQWUFTKRNWRWJD-CYBMUJFWSA-N 411.304 1.196 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507850556 NUGKNIPSKNOAKR-ZBFHGGJFSA-N 408.934 1.424 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1507983422 QFIODUUGXUQYIY-QGZVFWFLSA-N 421.523 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CC(N)=O 1508137407 NAHUXOPKQVLJMH-CYBMUJFWSA-N 409.487 1.385 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508139502 BFOKZZLOEOWYGQ-BEFAXECRSA-N 410.540 1.531 30 10 HDEE CC(C)Cc1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509188374 YVXGSBZPPVNJDM-VHEBQXMUSA-N 411.466 1.554 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1516220898 FWGUMOAMEHXBHP-JJRVBVJISA-N 413.425 1.083 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](OC)C2CC2)CC1 1518642794 FYXYGXHZZVBSIQ-LJQANCHMSA-N 424.505 1.537 30 10 HDEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1521710748 AOPSTZCQMWWFFP-MRXNPFEDSA-N 400.435 1.777 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cnn1CCC#N 1532964329 KBHJAWGFLZTNQT-MRXNPFEDSA-N 403.483 1.558 30 10 HDEE CCc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C 1536882235 GUWLSHLCYKMTIN-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(-n2cncn2)nc1 1538973485 NYTUFYLOJILBCB-CVEARBPZSA-N 410.482 1.484 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1539012335 FSJWZQMTRWNTHN-GJZGRUSLSA-N 412.581 1.550 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 1539446564 GEFFWOBLCQORIJ-HNNXBMFYSA-N 400.449 1.031 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2scnc2C)CC1 1539447533 ULOFILQMIFNELL-KRWDZBQOSA-N 400.552 1.935 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)CC(C)(C)CN1CCOCC1 1540869468 OFNYAEAYYYYUAH-UHFFFAOYSA-N 404.559 1.642 30 10 HDEE CN(C)S(=O)(=O)N(C)CC(=O)N[C@H](C#N)c1ccc(OCc2ccccc2)cc1 1542803658 KOTHOJIQPSEDRC-LJQANCHMSA-N 416.503 1.685 30 10 HDEE Cc1cc(F)cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1N 1543122678 XXFYHMXDDCXDOF-UHFFFAOYSA-N 402.451 1.735 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1543316100 XCPCUUWZEYDJGM-ROUUACIJSA-N 424.553 1.679 30 10 HDEE CCO[C@H]1C[C@H](O)C12CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1544356115 SVFXCFMMGQMRSO-IRXDYDNUSA-N 410.467 1.515 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)C1 1555986651 POGCCFFKAJWBDP-GOSISDBHSA-N 406.487 1.874 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 1556022583 JULJEUFMOYIAGK-ZPHPHTNESA-N 423.433 1.980 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1558006764 GYFQBTUJRXEYCR-MSOLQXFVSA-N 419.526 1.833 30 10 HDEE C[C@H](CC(=O)NC[C@H](O)Cc1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1558392468 LPCWCRPIQLQIIV-CZUORRHYSA-N 419.478 1.363 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(C(=O)NCCn3cnc(C#N)n3)C2)O1 1564723717 FQPBHZAPKQHYBX-UWJYYQICSA-N 409.494 1.225 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cn1 1565640901 ZRZAWRDGVLRAAF-QGZVFWFLSA-N 402.451 1.604 30 10 HDEE CN1CCN(CC2CN(C(=O)COc3cccc(Br)c3C#N)C2)CC1 1569573746 FDWHEEMTZMDXBD-UHFFFAOYSA-N 407.312 1.405 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)c1 1583698448 VIPVRVXSDIQZFN-UHFFFAOYSA-N 406.504 1.792 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2 1585295252 BKGAPEKPKBDCCE-YLPZSQTKSA-N 424.501 1.168 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](C)OCC(C)C)CC1 1585675037 DAURCPQRWNYHRT-RTJUMIHMSA-N 402.535 1.924 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1588045008 FJENSHIEHCCTCP-OAHLLOKOSA-N 403.508 1.128 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588050567 SLERHJWPOFMOOY-NQIIRXRSSA-N 414.531 1.690 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(C=O)c[nH]c4c3)CC2)cc1 1588157993 MTXTYDOCIROXOR-UHFFFAOYSA-N 422.466 1.999 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(C)COCCO2)CC1 1588857194 KIRKZRUQGSDZRM-FQEVSTJZSA-N 401.536 1.491 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nccnc2C)CC1 1588864646 IOPGYPPZUHHIIX-UHFFFAOYSA-N 419.537 1.236 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1ncnn1CC(F)F 1589047675 FGAMFBMOLPUCCF-UHFFFAOYSA-N 419.465 1.595 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1594807495 QGBSCOSGOZGMQN-SJORKVTESA-N 415.498 1.133 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1595009230 BTGOAIHLEUVNCN-UHFFFAOYSA-N 415.494 1.770 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595822710 JEUNTUJXCBUYNB-HZPDHXFCSA-N 424.523 1.726 30 10 HDEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)CC1 1595854581 GOBCHMMMGRWXBH-UHFFFAOYSA-N 411.553 1.847 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1596602953 IOTUQHFCFQUXRR-OAHLLOKOSA-N 418.519 1.278 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)CCOC)cc1)C(=O)OCC 1596778814 XDTQQPMPIGHPGD-HNNXBMFYSA-N 403.884 1.911 30 10 HDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1607435484 QRUIVNRUCWKKID-KRWDZBQOSA-N 409.494 1.941 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1611767514 OKOUHHQDGSKGJY-CRAIPNDOSA-N 410.544 1.589 30 10 HDEE CC[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1614164946 ZDWOOGGRQLPRCW-QFPXGYFVSA-N 410.482 1.584 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1snnc1C 1616824406 JDLAZRNPXYNOHV-UHFFFAOYSA-N 412.479 1.558 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1618825982 SBKCNSLIDNNJGL-CABCVRRESA-N 408.476 1.481 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1620178220 BDDPMCLIGFGXGB-JYRCXFKTSA-N 408.503 1.257 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1cccc(Br)c1C)C(=O)OC 1622074263 ZAWOLFPNBMXFQL-CQSZACIVSA-N 406.298 1.921 30 10 HDEE N#C[C@]12CN(C(=O)Cc3c[nH]c4cc(Br)ccc34)C[C@H]1CS(=O)(=O)C2 1627136529 KURZDHHWQDGRPU-YVEFUNNKSA-N 422.304 1.870 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 1633355993 QBGMBSOMKBREBQ-SFHVURJKSA-N 405.520 1.435 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1634215776 JQEBIWHLQFGGDP-VYDXJSESSA-N 416.540 1.508 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CN1C(=O)OC(C)(C)C 1635070735 VTAULZXIIMPIPB-NERIXLHVSA-N 406.483 1.807 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N=[S@]1(=O)CCc2ccccc21 1645101728 RQBUXUCDTOMEID-SANMLTNESA-N 403.485 1.725 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)CC1 1645781890 UEGTUTMXCXEXDW-UHFFFAOYSA-N 403.548 1.935 30 10 HDEE N#Cc1ncn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1648125269 AOHQFJNQHQEWRG-RNFRBKRXSA-N 403.233 1.779 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCCC[C@H](NC(=O)OC(C)(C)C)C2)C1=O 1648682273 JQUSZJUDOFTZOF-AWEZNQCLSA-N 422.482 1.259 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648940383 YXMLPQADZDTTAY-UHFFFAOYSA-N 420.441 1.755 30 10 HDEE CS(=O)(=O)N1CCCc2cc(C(=O)Cn3c4c(cc(C#N)c3=O)CCC4)ccc21 1653108376 GNTUVUDBNXYHAY-UHFFFAOYSA-N 411.483 1.804 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cn1)C1[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1656553692 OXZXYGHZVYKMTP-HUUCEWRRSA-N 406.508 1.524 30 10 HDEE CNS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1658836579 AMWIMOBDCORZFH-CQSZACIVSA-N 411.553 1.101 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1665797477 YTUMJSZMPNGTAQ-BZQUYTCOSA-N 403.526 1.722 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(OC(F)(F)F)c2)CC1 1666496947 VVSYQVCYOBILHG-UHFFFAOYSA-N 406.386 1.202 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CCC#N 1667229668 RSZLXJGWHVNLCM-UHFFFAOYSA-N 402.476 1.768 30 10 HDEE CN1C(=O)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2ccccc21 1671495317 QHSXHVWXLVLEJR-JKSUJKDBSA-N 413.478 1.934 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)nn1 1681051766 GIHAAODELVRXIC-NRFANRHFSA-N 423.477 1.688 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1689888830 RQXZAAXRCFHIRV-QZTJIDSGSA-N 400.527 1.191 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1689989337 DLPHCCVYDKJLDI-CVEARBPZSA-N 410.515 1.691 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1689997261 YXVDIWBNXDMSRG-INIZCTEOSA-N 403.508 1.193 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690120030 CGPFCRYJNNFRQM-UHFFFAOYSA-N 419.533 1.710 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CC1 1690122325 NRIMUERKQLZPOW-GOSISDBHSA-N 412.925 1.881 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690345850 FFFAJNZLYDFTQL-ZIAGYGMSSA-N 413.931 1.134 30 10 HDEE C=CCn1c(-c2ccccc2Br)nnc1N(C)CCNS(C)(=O)=O 1690637901 WHWVUXWRGBMOHV-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(C)CC1 1690670600 FPMHXEHSMPVHPC-PCKAHOCUSA-N 409.556 1.497 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1694966617 CMLXOIJTIYUVJX-SFHVURJKSA-N 424.505 1.870 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1695897282 GWAHBTHYKYKNHK-PZJWPPBQSA-N 423.565 1.947 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1705476213 TWWHLKZCHCGTHU-HOTGVXAUSA-N 424.496 1.328 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705508114 PLKLTIZNFZRVDK-MSOLQXFVSA-N 401.511 1.702 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1705514365 SYVMTAYPDGOGIF-LJQANCHMSA-N 408.510 1.892 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1705562120 XTKDESYWSCYNQQ-HZPDHXFCSA-N 402.476 1.053 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705566411 NWFIDLOREKZYJQ-JXFKEZNVSA-N 417.535 1.715 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1705572132 ROTVIMWGAOMTGK-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1705572782 OGOVGCMFMGZAEL-UHFFFAOYSA-N 421.505 1.109 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@H]2C)CC1 1705642155 IYGAMCJJQYXKEX-XLIONFOSSA-N 411.554 1.568 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCOC2(CCOCC2)C1 1705658248 JSEBAQCSCSKOQY-UHFFFAOYSA-N 400.508 1.487 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC(C)C)C1 1705658450 PZELUXSPAAMSIC-KRWDZBQOSA-N 404.540 1.675 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705662996 SHQMNVMUCHLOEM-AEFFLSMTSA-N 401.536 1.870 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCCCO 1705674117 AFCDDIUZVPVKBN-MAUKXSAKSA-N 412.581 1.288 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(=O)OC)C1 1705706214 QYWHUNLNSKPAHD-GJYPPUQNSA-N 417.510 1.381 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1705831341 NWUZIJHYHFCNMV-UHFFFAOYSA-N 412.494 1.935 30 10 HDEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705840501 QCGIJZWZHUXREA-UHFFFAOYSA-N 402.524 1.950 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1705843764 NJYRRHFEVMCSER-DLBZAZTESA-N 411.572 1.159 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705906008 OLJAUUCIGSASJN-CABCVRRESA-N 411.572 1.571 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1706751770 UEYRVNLHJUYPSK-WWMYMODYSA-N 416.526 1.867 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCC(F)F)cn1 1711250562 CDOQXHRAQLGDCE-HNNXBMFYSA-N 406.441 1.137 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1712229311 ASOHWXGPCUYJFT-HNNXBMFYSA-N 407.434 1.311 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1722296643 SWZDKNFWZPIGSW-HIFRSBDPSA-N 402.476 1.415 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722457647 IOQOPSXVIIGOSZ-MRXNPFEDSA-N 413.551 1.843 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722537164 LQWORNUFUNOTOH-HZPDHXFCSA-N 404.471 1.644 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722626766 GCNKQWCOZIAOJY-SJORKVTESA-N 404.515 1.321 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)cc1 1722702606 MVGFFZULKHKUOZ-OAHLLOKOSA-N 421.523 1.338 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1722738904 QIFKJMGHAXXGLJ-AWEZNQCLSA-N 401.558 1.129 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)n1 1726056967 FPXAJMRYUSLACL-PXNSSMCTSA-N 416.505 1.302 30 10 HDEE Cc1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1726390576 SVWCGQPTQXOFPJ-ZIFCJYIRSA-N 406.556 1.921 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1726626849 FGXXFDOMFJZHFB-OAHLLOKOSA-N 418.523 1.466 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740578744 FQVGVZZSTYBAOU-GJZGRUSLSA-N 418.523 1.597 30 10 HDEE C#CCN(c1nnc(C)n1Cc1csc(-c2ccco2)n1)[C@H]1CCS(=O)(=O)C1 1740617972 ZQZKBGIPBUYAQQ-HNNXBMFYSA-N 417.516 1.978 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740663454 JNSFVCZBHZTCME-NHCUHLMSSA-N 401.511 1.401 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1740669109 MTTWTDBHMGPJSL-UHFFFAOYSA-N 416.489 1.938 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(=O)Nc2ccc(F)cc2)CC1 1740695061 CBEZWMXDGQLVLV-UHFFFAOYSA-N 420.452 1.268 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCN(C)C(C)C)CC1 1740701055 SJQXMWNECUCYIC-PMACEKPBSA-N 418.586 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C(C)C)CC1 1740707344 YWDZEGVFWBDFMB-FQEVSTJZSA-N 424.549 1.901 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)CC1 1740762572 UXUHGQJHOJPINU-NSHGMRRFSA-N 416.570 1.988 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740875683 HWLUWINYDSARNZ-SJORKVTESA-N 409.556 1.753 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1740889460 CHEZBWARPSCRSF-UHFFFAOYSA-N 416.449 1.572 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](COC)C1 1740951128 QBWYIVUOGZHSKA-MRXNPFEDSA-N 404.515 1.069 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CSCCS2)C1 1740981378 VSASDALJSULPRN-QLFBSQMISA-N 409.581 1.859 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCS1(=O)=O 1742399241 GADQSBCHZKOURS-SJORKVTESA-N 415.519 1.950 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)CCOC1 1746732913 CILBSYAPIGVFOL-CDHQVMDDSA-N 417.466 1.160 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1748093738 KILWUBDOAQGXED-INIZCTEOSA-N 412.494 1.726 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1748682327 UKAIAULKKQIDPW-CVEARBPZSA-N 412.519 1.409 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1748698688 WOKGCGZHAZUKAA-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCN1CCCC1 1748794894 OXEFUNSTGIMZNG-UHFFFAOYSA-N 421.593 1.808 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1748929956 TYKNERNCSOMODM-CQSZACIVSA-N 408.553 1.432 30 10 HDEE C#CCN(CCOC)c1nnc(C)n1C[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748949493 BRVSHQXRKUUNSN-BZSNNMDCSA-N 419.526 1.697 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(N(C)C)cc2)CC1 1748971531 UMNDJRRCALGMCL-UHFFFAOYSA-N 423.565 1.480 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCNC(=O)C(C)C)CC1 1749009027 FFVUPIBDTNHIQQ-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)OC)CC1 1749010160 OMCDIWYQMFUKIQ-QGZVFWFLSA-N 403.527 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1749663537 JEUFEQINZBWLAK-SJORKVTESA-N 411.510 1.680 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(C)C 1749666475 MHAJNCRAJDPNIB-UHFFFAOYSA-N 423.521 1.977 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1749954494 PYFDILNKKYWEFY-LPHOPBHVSA-N 424.521 1.555 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 1750027346 KCUBEOQTARBBME-FUHWJXTLSA-N 418.542 1.484 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1750035026 ZHOMOIHODSMPBC-UHFFFAOYSA-N 423.521 1.825 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1Cc1ccc(C#N)o1 1750950171 WGGSIOLFIPXZGN-CQSZACIVSA-N 411.466 1.130 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(F)(F)C1 1751002853 BUEGJQBDRIAVDF-UHFFFAOYSA-N 424.477 1.990 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@H](C)CC2 1760173579 ADPWVABTECZKCR-KGLIPLIRSA-N 419.576 1.879 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760189729 VXYHDSIMZCCWCO-KBPBESRZSA-N 420.457 1.750 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1ccnc1C 1760195955 BZOJZRJNOYPHJM-UHFFFAOYSA-N 422.514 1.627 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(OC)CCOC1 1760206518 CDNFDHJYGLYUAV-HSZRJFAPSA-N 408.502 1.950 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(N)=O)cc2)CC1 1760260524 WCLZONRMYSLMGX-UHFFFAOYSA-N 415.501 1.551 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1760680908 RRMYKHAQICHOPO-MSOLQXFVSA-N 401.515 1.222 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC2(O)CCOCC2)CCOC1 1761273813 IAKXXFRYYFPCNG-UTKZUKDTSA-N 421.542 1.989 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCC2)CCOC1 1765921343 DEYCFTIEHBKZGJ-DBXWQHBBSA-N 418.542 1.391 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1C 1766986692 HMNYVXZRHUHPRG-JKSUJKDBSA-N 405.510 1.912 30 10 HDEE CN(C)CCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](C#N)C1 1768519012 OVRQUIKDHOZPLU-SFHVURJKSA-N 421.505 1.800 30 10 HDEE Cn1nccc1[C@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCC(=O)N1C1CC1 1772790653 SCSJCTNRJHKRKW-MAUKXSAKSA-N 408.414 1.617 30 10 HDEE CN1CCN(c2nc(NC(=O)C[C@H]3COc4ccccc4O3)c(C#N)cc2C#N)CC1 1851148775 RXKXSQMEWKUYDT-KRWDZBQOSA-N 418.457 1.745 30 10 HDEE N#Cc1ccc(-c2ccccc2)nc1N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1 1852399277 NHJVPHXKNCKQHR-GOSISDBHSA-N 410.499 1.704 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852458100 HRQGWFDAYZXCSZ-CVEARBPZSA-N 408.414 1.678 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1 1853851143 HAEMQUNZKGQDOR-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE Cc1cnc(CCC(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)o1 1854250425 BVZVGNLOPQXSGZ-KRWDZBQOSA-N 409.446 1.463 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283875 PKNVXWOSXJQDHZ-NVXWUHKLSA-N 402.474 1.370 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@H]1C 1854310405 AJICIWDOZOWQAV-MSOLQXFVSA-N 419.547 1.723 30 10 HDEE Cc1nccn1CCC(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854352926 RHBKLNADOOQUBL-GOSISDBHSA-N 408.462 1.129 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC[C@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625975 DINXRZQISKYGFI-GOEBONIOSA-N 405.476 1.265 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccccc3F)C2)CC1=O 1854841192 ROKWEYOOMBHGHE-QGZVFWFLSA-N 423.510 1.367 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3coc(-c4ccccc4)n3)CC2=O)CC1=O 1855543296 LXBICJRKHFTSMH-QGZVFWFLSA-N 408.458 1.547 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 1855707560 PTRULHUNXBMJSV-LJQANCHMSA-N 404.474 1.692 30 10 HDEE CON(C)C(=O)C1CCN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1855721320 JJSPCOQVEYPWHN-LJQANCHMSA-N 412.490 1.811 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCCC[C@@H](N(C)CCC#N)C2=O)c1C 1856389583 WTXFVWJJBLOZRJ-QGZVFWFLSA-N 410.478 1.951 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN(Cc4ccccn4)C3)CC2=O)cc1 1856845644 IZFDRRJJPLLMCY-NRFANRHFSA-N 403.486 1.441 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCCN([C@H]4CCOC4)CC3)CC2=O)cc1 1856922638 ARXDWVJGJIESLT-SFTDATJTSA-N 410.518 1.272 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2=O)CC1 1857068406 NOJXUAPKPOHQTP-OAHLLOKOSA-N 415.404 1.108 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@H]4CCC[C@H]43)ccc21 1857461310 PRYGGCRQWJINBQ-SJORKVTESA-N 403.460 1.348 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)cc1 1858394464 WSZAILCGYBEHSO-ZFWWWQNUSA-N 408.380 1.899 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=N/NC(=S)NCCCNC(C)=O)cc1 1860498394 UELKDKJHQOASRA-LPYMAVHISA-N 407.540 1.258 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@H](O)CN3)sc2c1 1866041793 FEQPGEPTOISCTB-WFASDCNBSA-N 422.532 1.320 30 10 HDEE CCOc1ccc(/C=N/n2c(CCOC)nnc2SCC(N)=O)cc1OCC 1874470992 RWOPEHXCVGTLBU-RGVLZGJSSA-N 407.496 1.724 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cs1 1889640035 UIOBQIRXZHZVGB-GASCZTMLSA-N 424.482 1.316 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 1984815239 GEOVJIPUKQVXME-UHFFFAOYSA-N 415.490 1.750 30 10 HDEE C#CCO[C@@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029231675 XXULKMFXODIENQ-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@]2(=O)CC[C@H](NC(=O)OC(C)(C)C)C2)cc1C#N 2174782087 MLSDJPBWFQLWMA-NRRJATNASA-N 414.509 1.715 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@](C)(=O)CCN(C)C(=O)OC(C)(C)C)cc1C#N 2174790020 XROCSBKTDMTDBD-AREMUKBSSA-N 416.525 1.915 30 10 HDEE COCC1(CNS(=O)(=O)CC2(C#N)CCCC2)CN(C(=O)OC(C)(C)C)C1 2178021412 HNAJNFUTSMKKHF-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244552671 YTJFCAFVHBRKFJ-UHFFFAOYSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(C#N)cc1Br 2249535429 PFBLHOJRTRPLLX-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE C#CC1CCC(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258132496 HSMSYXQIYFAQFG-PREGVCBESA-N 408.476 1.477 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@H](CO)C3)cc2Cl)OC1(C)C 2267352266 CMGPEZCKMHRPJE-MGCOHNPYSA-N 407.750 1.750 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](CN)C3CC3)cc2Cl)OC1(C)C 2267702647 JRGMYXWSDNXEBZ-LLVKDONJSA-N 406.766 1.716 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]3(C#N)CCSC3)s2)OC1(C)C 2267715189 TYSUBDBFKGEXSF-HNNXBMFYSA-N 400.356 1.725 30 10 HDEE Cc1csc(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282010515 XBOPFLUZMJXMBD-NWDGAFQWSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@@H](CN)C3)cc2Cl)OC1(C)C 2282303846 BOBIURXOIQCDLT-JTQLQIEISA-N 422.765 1.049 30 10 HDEE CON([C@H]1CCNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304099 GJOWRIKRWOOKKW-JTQLQIEISA-N 422.765 1.615 30 10 HDEE CNC(=O)OCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282309236 BXBBHFAOQIDJIL-UHFFFAOYSA-N 424.737 1.335 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@]1(C)O 2282353341 GQONHHBUGWIADK-SJCJKPOMSA-N 401.359 1.829 30 10 HDEE C[C@H]1[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282491722 OSALRZLTGXTMGZ-NHYWBVRUSA-N 400.737 1.749 30 10 HDEE CC(C)[C@@H](CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282497729 ULSRAGUJTBKYER-GFCCVEGCSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@H](CN)C2)OC1(C)C 2282499405 OVKQMLDLYIIRNM-GFCCVEGCSA-N 400.737 1.609 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cn2C)C1 2282688895 AMXGXQIXFBNUAR-HOCLYGCPSA-N 404.316 1.938 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CN1 2282835130 PPTQJFUBILDYIE-NWDGAFQWSA-N 400.737 1.668 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCC[C@H]2O)OC1(C)C 2282835492 VMNRBQPMCQUCNN-WCQYABFASA-N 402.347 1.023 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282845291 PYRNORYBQKGZRM-VWLOTQADSA-N 405.322 1.172 30 10 HDEE CS[C@H]1CCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853390 CCSKNECNYNDVTP-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE C[C@@H]1C[C@@H](O)[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866596 MDISXGKVKCGQHF-YRGRVCCFSA-N 401.359 1.827 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2282867032 SGCPMQYUCITYQJ-CHWSQXEVSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(F)CC(CN)C2)OC1(C)C 2282876392 CJLHWCAZGOXGCS-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE C[C@H]1CNC[C@@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282887951 ISUUEHFAXLFHSS-BETUJISGSA-N 400.375 1.559 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284393796 PQVHZOUWOUCUKU-KCJUWKMLSA-N 421.733 1.794 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)c2)OC1(C)C 2284408858 BTVSVNSXRGSFQK-NSHDSACASA-N 401.315 1.533 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338242025 QMWAFQRCFZJGKJ-KBPBESRZSA-N 401.554 1.801 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@H](O)c1cn(C)nc1I 2361290227 KPTKGMBEMASLPD-NWDGAFQWSA-N 405.305 1.935 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC(F)(F)[C@](C)(N)C3)c2)OC1(C)C 2362001898 WVGZNQNYDQMSOS-CQSZACIVSA-N 408.301 1.404 30 10 HDEE C=C[C@@H](NC(=O)N(C)Cc1c(Br)c(Br)nn1C)C(=O)O 2364437885 YKISPBPGRWRFJL-ZCFIWIBFSA-N 410.066 1.726 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365201290 HGRQZLQCCBPKKX-QMTMVMCOSA-N 402.557 1.586 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2365202418 NWCUSWLUJVFWGX-HUUCEWRRSA-N 402.557 1.816 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CC[C@]1(NC(=O)OC(C)(C)C)CCOC1 2365208046 BRZURCVGRIHRDU-KXBFYZLASA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367789255 RETXDJHBIQVVKQ-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@@H]([C@@H](N)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367791909 ZZMJUVGNXGCROB-XPFWZQFZSA-N 404.479 1.833 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1F 90744021 VFGRLOJDYMDEET-UHFFFAOYSA-N 406.435 1.684 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CCN1c1nccn2cnnc12 433495063 ZDLYNTJYTXHHRM-GFCCVEGCSA-N 417.882 1.549 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 443862939 VOFJBCZTFHQWCZ-ROJAXVNGSA-N 413.430 1.660 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446273967 ALWISEWJXZDZDM-UHFFFAOYSA-N 412.450 2.375 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(CCO)Cc1ccc(OC)cc1OC 460382887 GQSJJXBSNQHIKX-IBGZPJMESA-N 418.494 1.958 30 10 HDEE COc1ccc2c(=O)c(C(=O)Nc3nn(-c4ccc(C#N)cn4)cc3C)c[nH]c2c1 461846559 BQWYEYUDWGVHGC-UHFFFAOYSA-N 400.398 2.550 30 10 HDEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 462453762 FDAYNSFIHKNWOP-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2cccc(OCCN3CCOCC3)c2)ccc1F 488860908 XPDWIWUUHSAZEG-UHFFFAOYSA-N 419.478 1.887 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCc2nnc3ccccn23)cc1 490427769 PVNLFCWKZCDIMS-UHFFFAOYSA-N 406.446 1.333 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)NCC(F)(F)F)C3)cc2C1=O 490899535 JWEWIRUJVHYJHQ-LBPRGKRZSA-N 409.364 1.609 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C(CC)(CC)C2)c1 494551019 WPZHNAVWVYUHPQ-UHFFFAOYSA-N 414.549 1.580 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 506173323 MKLCJONYQMVOSE-OAQYLSRUSA-N 401.463 1.938 30 10 HDEE C=CCn1c(-c2ccc(CC)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508845582 CFYNKOYGRNLYMS-UHFFFAOYSA-N 424.549 1.674 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508888693 OWCVVGIMRFLHOG-FQEVSTJZSA-N 415.519 1.641 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 508917335 JBFZBNTZQZLLNF-ROUUACIJSA-N 404.515 1.907 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 512299268 PHYDZBSTINJAPS-UHFFFAOYSA-N 407.434 1.041 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 522944931 BWJDFUKPADYOJB-KSZLIROESA-N 403.504 1.284 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ncccc2C#N)CC1 532758376 LIETYOQMUPDOHC-KNQAVFIVSA-N 418.545 1.854 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C1 538404036 PAAJQRVHLIIYAK-UONOGXRCSA-N 402.480 1.770 30 10 HDEE CCOc1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N(CC)CC 539506200 YWBTVIDYBGFPIF-ZDUSSCGKSA-N 420.495 1.779 30 10 HDEE COCCN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1=O 542033155 MWVAEBITLIIUAV-UHFFFAOYSA-N 402.842 1.720 30 10 HDEE CCNC(=O)COc1ccc(CNS(=O)(=O)CC2(C#N)CCCC2)cc1OC 545387900 HJQGVDDBVIKUKV-UHFFFAOYSA-N 409.508 1.713 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(OC)ncn2)CC1 549676328 MOQKKZVRNWDBBW-UHFFFAOYSA-N 423.525 1.841 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)N(Cc3ccccc3)C(C)C)CC2)c1C#N 550246354 ZEVGICPCBNTJGZ-UHFFFAOYSA-N 408.506 1.686 30 10 HDEE COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1OC 582330712 HWIQDMBIYLCARS-UHFFFAOYSA-N 405.432 1.501 30 10 HDEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c2ccccc2c1=O 585170488 HICVFLFZGDQKGT-INIZCTEOSA-N 400.438 1.699 30 10 HDEE CS(=O)(=O)CC[C@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 589875192 ZXQXTUKZFVTKMP-GOSISDBHSA-N 419.551 1.921 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)CC1 605409704 RAZDOZHLPVFJIF-QZTJIDSGSA-N 415.538 1.752 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN3C[C@H](C)O[C@@H](C)C3)c2)C1=O 606210999 ZLKWKCCJPIHQRK-GJZGRUSLSA-N 414.462 1.211 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c(F)c1 609257077 RPFRTTGUVBIKKQ-UHFFFAOYSA-N 410.405 1.425 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1C 610798359 VDSNWYCGZYTMDE-CYBMUJFWSA-N 401.444 1.959 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4C(N)=O)C3)CC2)n1 612807141 QIASOULPPLLAKO-KRWDZBQOSA-N 419.489 1.163 30 10 HDEE Cc1ccc(C#CCN)c(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703978985 IFOXPORTICAEOQ-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccccc3OCC3CC3)c2=O)cn1 726180981 SIAANNGGOWDSHC-UHFFFAOYSA-N 417.494 1.931 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 732155437 BAKVSQSGJCDMAJ-SQFISAMPSA-N 416.331 1.617 30 10 HDEE C[C@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 732701197 LJQBNHQZQXPOPZ-YOEHRIQHSA-N 405.524 1.380 30 10 HDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1cccnc1)c1ccc(C#N)cc1 740212053 GKYODADJJUDVCJ-QGZVFWFLSA-N 403.416 1.079 30 10 HDEE CCn1nc2c(cc1=O)CN(CC1=CC(=O)n3c(nc4ccccc43)[C@H]1C#N)CC2 742428519 VVZRIOPZAPVLMY-INIZCTEOSA-N 400.442 1.859 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)S(=O)(=O)c2ccc(/C=C\C(=O)OC)cc2)c1 747256756 YVXHWJBEXPYMDJ-RAXLEYEMSA-N 412.467 1.795 30 10 HDEE CCn1cc([C@H]2C[S@@](=O)CCN2C(=O)NCc2ccc(OC)c(C#N)c2)cn1 753180801 XRTWBZDAVBEUHW-UULLZXFKSA-N 401.492 1.798 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc4nccnc34)CC2)o1 755076606 OFSCAEJKFIHLAU-UHFFFAOYSA-N 406.402 1.304 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)[C@H](C#N)C1 755547249 NRLCSZPMIAEMJM-GDBMZVCRSA-N 414.462 1.825 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)CN(/C=C\c4ccccc4)C3=O)CC2)n1 760551378 LSDPDIZJYZIWKC-KTKRTIGZSA-N 402.458 1.968 30 10 HDEE COC(=O)[C@H](Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1 762542942 CPLUMIYFEGIEOM-QEEYODRMSA-N 411.462 1.717 30 10 HDEE COCCN(C[C@H](O)c1ccc(C#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 763231467 BFVCPSOKRNXZLO-INIZCTEOSA-N 401.467 1.245 30 10 HDEE COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 769855566 RXJOHCHOGKPIKJ-CQSZACIVSA-N 403.254 1.539 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1CC=C 772899320 VAFMWHVLCNMNIQ-UHFFFAOYSA-N 414.556 1.556 30 10 HDEE Cc1ccc(NC(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)cc1S(N)(=O)=O 777173799 IWAKWXBDMGRQRS-UHFFFAOYSA-N 413.455 1.993 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 780920511 JWBGBOFBZROQCE-FQEVSTJZSA-N 413.499 1.809 30 10 HDEE N#Cc1ccc(C2(C(=O)OCC(=O)NCc3ccc(OCC(N)=O)cc3)CC2)cc1 781399395 JMXHDLFAVYILJU-UHFFFAOYSA-N 407.426 1.314 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC[C@@H]2CCOC2)cn1 784123197 BNRNAGRUFUBJJW-CJNGLKHVSA-N 405.524 1.930 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784572267 SGHMYTXBRLMJQY-UHFFFAOYSA-N 417.422 1.376 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)n1 788966006 LQQCKKYFFGTWFX-UHFFFAOYSA-N 421.505 1.610 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1Cc1ccccc1OC)c1cc[nH]n1 789964343 YERQQIFQXYPVMG-MRXNPFEDSA-N 414.462 1.936 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)NC3CCCC3)C2)n1 790105231 VDIFJBGWIMCKLO-GOSISDBHSA-N 415.538 1.856 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n1 790110355 RHBIESRHHJOKPY-OAQYLSRUSA-N 419.485 1.341 30 10 HDEE C=CC[C@@]1(C(=O)OCc2nc(N)nc(N(C)C)n2)CCCN1C(=O)OC(C)(C)C 791720234 OMZYEZSBBSGLIJ-IBGZPJMESA-N 406.487 1.909 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CCN1C1CC1 793488324 MKGPFRDWOKGWMS-AQNXPRMDSA-N 419.485 1.777 30 10 HDEE CNC(=O)Cc1nc(COC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cs1 796278324 DCLKMGQPTRQBPV-UHFFFAOYSA-N 403.464 1.560 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 802626958 RTSKURPZZYJNGY-KBXCAEBGSA-N 404.438 1.460 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1C#N 804401905 PLWJBKAXNCDZBO-UHFFFAOYSA-N 418.457 1.235 30 10 HDEE C#C[C@@H](OC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C1CC1 808995348 PRWZDOPOXAIBQD-GOSISDBHSA-N 406.504 1.590 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1nc(C(F)(F)F)nc2ccccc12 814770191 UCVSYRVWLXVRDQ-UHFFFAOYSA-N 413.385 1.946 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 816994137 GZGUWOUPNTZPSF-KRWDZBQOSA-N 403.458 1.807 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 918755992 JDLRGKMRXKTFCY-MRXNPFEDSA-N 417.512 1.587 30 10 HDEE Cc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cc([N+](=O)[O-])ccc3O)n2)no1 1084337287 GRDFCQMYALZNRC-UHFFFAOYSA-N 418.395 1.892 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 1116556621 QZSLEPKAYZLALA-MRXNPFEDSA-N 406.508 1.373 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2=O)cc1Cl 1127068599 MYHWNECXVHOJKP-GFCCVEGCSA-N 402.798 1.486 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1131941460 RVLDSENYBKRQIX-LJQANCHMSA-N 420.531 1.835 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1132514304 QDDNSFBEEGCWDA-UHFFFAOYSA-N 402.454 1.631 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3nc(C4CC4)cs3)CC2)cc1 1136149685 UYOHAUNUIVICBH-UHFFFAOYSA-N 416.528 1.968 30 10 HDEE C=CCOC[C@H](NC(=O)C1(c2ccccc2)CCN(C(=O)C=C)CC1)C(=O)OC 1139176534 ZKICHOYGMWVQGX-SFHVURJKSA-N 400.475 1.593 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1146352951 HHOJWNZWHSQCSQ-LEWJYISDSA-N 422.485 1.510 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1)C(=O)OC 1155779664 SCLPPRKPVBLWQX-XGHQBKJUSA-N 420.462 1.009 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@H](C(F)(F)F)O1 1161769902 YUYVUVPGABRCFR-BXUZGUMPSA-N 405.398 1.405 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC4(CCNC(=O)O4)CC3)ccc2c1=O 1161866516 VKZYNNHZOIPPLI-UHFFFAOYSA-N 414.487 1.976 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H]3CC[C@H]3OC)nnc12 1161907205 AQBXIPFMNGJWRD-JKSUJKDBSA-N 413.503 1.958 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 1168858107 XFDVOEHDPSFFIV-SCLBCKFNSA-N 412.471 1.815 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1OC 1175204676 QNUDNZFCUVSUTA-UABRLCRWSA-N 400.475 1.763 30 10 HDEE N#C[C@]12CN(Cc3nnnn3-c3ccc(C(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1176709162 GKQSSQKDVBXZAF-SWLSCSKDSA-N 412.397 1.051 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)co1 1179886837 YBXJDROZYUMGFO-AWEZNQCLSA-N 419.459 1.115 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1 1192080051 FVPSZVWIZNFOEA-ICSRJNTNSA-N 405.520 1.593 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1195953886 DQVSGOXPCOYXOX-IBGZPJMESA-N 421.563 1.612 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 1196789449 LWKVPQWDDNYJLC-NRFANRHFSA-N 424.505 1.615 30 10 HDEE C=CC[C@H]1CCN1[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1198489606 CKIFJFAITAHXMG-AEFFLSMTSA-N 407.536 1.993 30 10 HDEE CC(C)O[C@@]1(CS(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCOC1 1208375495 HOCPJBXSCUAIPL-FQEVSTJZSA-N 409.552 1.836 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1221189543 YAMKDFZHNOJHQK-IBGZPJMESA-N 402.495 1.185 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)C1 1235547186 TVDBIGVGCIAOSZ-AWEZNQCLSA-N 416.906 1.154 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)C1CCCCC1 1282691193 VMWWHRHPVPESBO-GFEQUFNTSA-N 403.523 1.522 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCN1S(C)(=O)=O 1286371511 UQSBTMMGEFFBQF-OAHLLOKOSA-N 417.491 1.167 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(OC)c1 1286376787 NYCNUHPDMWFOIW-MRXNPFEDSA-N 418.519 1.510 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCC(=O)N(C)C 1286456720 UKPLDVBEFPOXDW-UHFFFAOYSA-N 409.469 1.936 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286614082 KKAUUAKSBXPODP-OAQYLSRUSA-N 421.542 1.613 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1286791812 DGUKKQLLNRUKOC-RDJZCZTQSA-N 401.442 1.666 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286831733 KCVHVLSSAOIZHK-KRWDZBQOSA-N 406.600 1.893 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1291795404 GAMFAFLEHXCWSL-MAUKXSAKSA-N 423.521 1.823 30 10 HDEE Cn1cnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)n1 1298866976 UDQBPHOOBQMESZ-LBPRGKRZSA-N 400.393 1.053 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCN2CCC(O)CC2)c1 1300331364 JWTYDPRYXGFLLQ-UHFFFAOYSA-N 410.522 1.490 30 10 HDEE C#CCN(c1nnc(CC)n1CCC1CCN(CC)CC1)[C@H]1CCS(=O)(=O)C1 1300499519 TUEPHBHGYNREMF-SFHVURJKSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1300515783 ASYCTDKQPXZPFZ-UHFFFAOYSA-N 411.267 1.352 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1300537262 BYXPRPNKCYBFQI-RTBURBONSA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCS(C)(=O)=O 1300597838 VQKQWVGAUAACFM-UHFFFAOYSA-N 423.926 1.366 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1300650118 YOWRLISLIUKUAE-ZHRRBRCNSA-N 424.480 1.997 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)OC 1300657934 VKWLVIJFXSBOAU-HNNXBMFYSA-N 406.508 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1300674782 FRWUJRGDHONLOC-FQEVSTJZSA-N 420.897 1.748 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1300706423 LTGVHJDVJAKEEC-GHTZIAJQSA-N 414.554 1.217 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)OC)CC1 1300709019 ZWKCJEDRILTRIP-OAHLLOKOSA-N 402.524 1.060 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2cccnc2)CC1 1300720032 ZRBRVHPMUWEGQU-UHFFFAOYSA-N 415.501 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2COc3ccccc3O2)CC1 1300726777 QSJZLLAPCOWPLO-QGZVFWFLSA-N 409.490 1.646 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301197447 TZSGQOWRYMFACR-JKSUJKDBSA-N 421.571 1.657 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301438306 BXZJDOXWNRSYPU-FCHUYYIVSA-N 424.505 1.321 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)NCC)CC1 1301490353 RQGYHGJIXRZYMR-UHFFFAOYSA-N 401.471 1.000 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1COCCO1 1302293371 LNTYROMSNZSWQS-PFRQMTDMSA-N 405.499 1.548 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC 1302429654 RSUMMFMBPAOLIZ-ZDUSSCGKSA-N 409.291 1.896 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1303047430 UYSOXDBUBTYAED-AWEZNQCLSA-N 408.524 1.200 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1303642051 GBWJFHCWRCDCKE-UGSOOPFHSA-N 420.564 1.876 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1304161929 VYJODRBIUGLXAD-HUUCEWRRSA-N 418.498 1.728 30 10 HDEE CCc1nnc(N2C[C@@H](C)[C@@H](N3CCN(C(C)=O)CC3)C2)n1Cc1ccc(C#N)o1 1306106659 WGCCUJUKZCELML-BEFAXECRSA-N 411.510 1.342 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(C)c2)C(C)(C)C)CC1 1311649304 QFPTYUDIEIHPHM-GOSISDBHSA-N 406.552 1.877 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1313585801 LLNUFOFWZPYCLY-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cn1ncc(Br)c1C 1355669604 ILUAXGUJPUSCKI-UHFFFAOYSA-N 409.244 1.880 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358961048 QRPPDSVFJCWSSP-JFIYKMOQSA-N 417.535 1.335 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCCn1cc(CO)nn1 1358990576 SJHCYSFBAIJEKP-UHFFFAOYSA-N 419.489 1.591 30 10 HDEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359204965 HHALFDZEAQVRTD-INIZCTEOSA-N 414.535 1.434 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1F)C1CC1 1359298521 CILJPJCGHQYQDX-KRWDZBQOSA-N 412.469 1.840 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1360338621 HGPOCBHSLMUXFG-VQTJNVASSA-N 420.489 1.287 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2ccc(OC)nc2)c1 1434895269 PBIOPBHFELPLOB-UHFFFAOYSA-N 407.470 1.896 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4ncnc(O)c4C3)C2)C1 1447938497 VPEVUFGLHSSFHK-GJGORFQUSA-N 413.478 1.854 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1 1449419682 AVXSNSCSIQYELH-LJQANCHMSA-N 420.469 1.728 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)c1 1452503219 ZBBZNVFFCSKETO-HNNXBMFYSA-N 404.517 1.879 30 10 HDEE C#CCN(CC(=O)NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)OC(C)(C)C 1466711932 FEZSOGRPYLMKCN-UHFFFAOYSA-N 421.519 1.713 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1F 1467383182 UMYLNEMWGMGKDW-UHFFFAOYSA-N 411.386 1.380 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C2 1469462387 SDACFXZMMPHLHF-QGZVFWFLSA-N 405.863 1.393 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 1469953044 VOMQNWXTPDGXFL-UHFFFAOYSA-N 403.451 1.356 30 10 HDEE C=CCn1c(SCC(=O)NCc2nc(CO)n[nH]2)nnc1-c1ccc(Cl)cc1 1470348168 INRLYOLBYRGJPT-UHFFFAOYSA-N 419.898 1.803 30 10 HDEE Cc1c(S(=O)(=O)N2CC(CN3CCN(C)CC3)C2)sc2ccc(C#N)cc12 1475509892 CZAJPPDLZLXYSS-UHFFFAOYSA-N 404.561 1.949 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCn2ccc(C(F)(F)F)n2)C1 1478402543 BQOPGTVXFZPCEZ-NEPJUHHUSA-N 416.404 1.960 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(-n2cccn2)c(F)c1 1478708771 PGAHVOLTNMVECY-ZUEVXXBESA-N 417.466 1.652 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOCC1CCOCC1 1499165366 VWVSHDJGCZUBCM-IBGZPJMESA-N 402.543 1.850 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507579538 ZKQUJHXOALYGQN-UWJYYQICSA-N 416.526 1.901 30 10 HDEE C#CCCCn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1507598217 CRURSYFSMIJTHX-LPHOPBHVSA-N 412.556 1.601 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633812 IKHOUOFTXXBVQV-RBUKOAKNSA-N 415.563 1.770 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)c(O)c1 1507641437 FTYPENMWBGVBNP-JOCHJYFZSA-N 410.474 1.766 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507666498 ATXCHDKEERAVJB-CVEARBPZSA-N 422.455 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CCCO1 1507710136 KEBVFOCYVJEBTC-FQEVSTJZSA-N 401.467 1.661 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCOCC2)CC1 1507720179 HTGOKHQOFCALGK-HXUWFJFHSA-N 422.577 1.983 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1507724862 LBJWJXQCQDQXMG-UHFFFAOYSA-N 416.551 1.309 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1507983455 QNRSMRSKOIVQOO-HUUCEWRRSA-N 404.492 1.642 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1510285063 GVIOCQBZRRWTAU-UTKZUKDTSA-N 415.542 1.472 30 10 HDEE CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1515472538 MUXFFGNKSYCYTO-DCDYOYONSA-N 424.505 1.981 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1515855870 CSKBYJFUIKNMDT-OALUTQOASA-N 423.521 1.252 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1517021766 GOAQHTKJVOHFAR-GOSISDBHSA-N 417.470 1.150 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCSC 1517629505 SZZFJTKPIRMGKG-UHFFFAOYSA-N 408.553 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(=O)C(C)C 1538977967 ZARJGWJSVXBDKX-LAUBAEHRSA-N 405.543 1.939 30 10 HDEE C=CCc1ccc(OCC(=O)N2C[C@H](C(=O)OC)CC[C@H]2C(=O)OC)c(OC)c1 1539376422 OJNSCVGRCXKLLS-CVEARBPZSA-N 405.447 1.756 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2Cc2cc(C)nn2C)n1 1539424826 XCQDXKALABFAKQ-UHFFFAOYSA-N 410.526 1.974 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)CC1 1539612506 MOBPYZDHVPPVQJ-CQSZACIVSA-N 400.321 1.807 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1540068924 GGQZQFXJHPFLII-RBUKOAKNSA-N 410.522 1.752 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1540853948 WNTOOIRXZUCNNF-CYBMUJFWSA-N 405.528 1.170 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccccn1 1540869716 UXZSSDQAYNRGOZ-UHFFFAOYSA-N 409.450 1.339 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540877173 MVMZBIVXRJHNCF-DLBZAZTESA-N 418.542 1.420 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1540890401 DRKKFWKRCOFQDJ-ZWKOTPCHSA-N 419.526 1.202 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1541513042 FYMOXMHPMHJTDR-HOTGVXAUSA-N 415.542 1.910 30 10 HDEE C[C@@](O)(CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1541952956 GFPJLXPJYYNGSY-DYESRHJHSA-N 405.462 1.762 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1555247460 AEMZOWWUBCTYCO-LAUBAEHRSA-N 410.478 1.337 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cc(F)ncn3)CC2)c1 1556703977 MCXAWJWKEFPVTD-UHFFFAOYSA-N 407.402 1.014 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 1564846689 ATXVURXVPUJQGO-UHFFFAOYSA-N 421.339 1.758 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)ccc1OC 1565724810 BDDYHLSCMZJUSY-BBWFWOEESA-N 411.462 1.422 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)C[C@H](O)c1ccc(C)cc1)c1cc[nH]n1 1566184688 PCPJHWOSQORHPW-KRWDZBQOSA-N 402.451 1.584 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1567325481 CRBGSLFZSGTDII-QGZVFWFLSA-N 413.327 1.970 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)CC1 1569814769 DEYIDMYFDGJRIM-QHCPKHFHSA-N 405.502 1.629 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1583224301 BEQWJOZVHJDAGH-UHFFFAOYSA-N 418.544 1.970 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)c(=O)nc1O 1586786250 FHSFIUSMEGBURI-AWEZNQCLSA-N 401.854 1.649 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1587989786 PBHPQWBLADBWFV-ZDUSSCGKSA-N 402.505 1.303 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c1Br 1588199645 QAPMEQCRVSKEPJ-OAHLLOKOSA-N 408.296 1.884 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1588266554 RUMRTVRTDROHDM-HNNXBMFYSA-N 404.540 1.462 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cnccn4n3)CC2)cc1 1588282101 BCVOPCOCTJGZTO-UHFFFAOYSA-N 411.447 1.035 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1589060144 NLTNEJTWIOWUIT-SFHVURJKSA-N 415.567 1.946 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1593695375 DZRDFRZYCMYZRD-WBVHZDCISA-N 418.542 1.504 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1594680327 RPSYDKMXAXINMN-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)C1 1595536683 FLMRJRAGARKXRL-OAHLLOKOSA-N 421.505 1.823 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](CC)C1 1595544769 LCEBFXMPRXPBJB-KRWDZBQOSA-N 424.553 1.991 30 10 HDEE CNC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1595609674 AYRHUPVKAANULZ-ZIAGYGMSSA-N 403.870 1.485 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3ncccc3OCCCC#N)CC2=O)cn1 1611062254 GMACTCGNDZDOOY-OAHLLOKOSA-N 412.450 1.599 30 10 HDEE Cc1nc(CCn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)n[nH]1 1612424303 HKSLYKPMJUTCHQ-INIZCTEOSA-N 412.429 1.394 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H](C)C(N)=O)C[C@H]1C)C2=O 1615244011 URQIGPIXVKCXMU-BLBZPCKPSA-N 408.838 1.627 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 1617735492 PJCJTZYPJTYNER-DOTOQJQBSA-N 401.492 1.477 30 10 HDEE CCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CCS(=O)(=O)C1 1625134054 ODXQKOFMCZQNIZ-INIZCTEOSA-N 407.341 1.943 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)c1 1629948862 VYOGWWNWEYIHCA-HTAPYJJXSA-N 418.457 1.673 30 10 HDEE C=CC(=O)N1CCC(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)(c2ccccc2)CC1 1632874098 CYKIFTVMHNGFOG-QZQOTICOSA-N 422.485 1.375 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@@H](O)c3ccc(C#N)cc3)c3nccn32)C1 1635803289 HOMZTAAEDPQIFX-IRXDYDNUSA-N 423.473 1.995 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)CC1 1636468868 DMBBBJCOTIFZFB-KRWDZBQOSA-N 400.479 1.816 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]12COC[C@H]1CN(C(=O)OC(C)(C)C)C2 1636472641 REKJPCGKIGZREY-ZUOKHONESA-N 418.498 1.138 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)CCS2(=O)=O 1636976395 XHBILMNSSSNSCY-UBCRDCNHSA-N 423.462 1.423 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)c1 1638804581 WEWDPFYPANETHJ-UHFFFAOYSA-N 408.382 1.850 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1639839915 GLRHRNCCHJVMNF-SFHVURJKSA-N 418.540 1.999 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1642442557 DPPFEYQQNNXKCY-UHFFFAOYSA-N 406.486 1.677 30 10 HDEE COC(=O)CCN1CC[C@@H](N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1644506624 DVAQDOTUKHSVNO-LJQANCHMSA-N 407.474 1.392 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1646157138 DZFZZEGNKVYBPK-UHFFFAOYSA-N 415.515 1.401 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1648008284 KYRPHYGNTDJRTC-PMPSAXMXSA-N 421.519 1.158 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)cc1 1648261764 QVTBKSSZOCMTMP-ZDUSSCGKSA-N 402.398 1.918 30 10 HDEE CCN1CCC(N2CCC(C(=O)Nc3n[nH]c(CCCNC)c3C#N)CC2)CC1 1648430099 DPKJWBWAQISRAJ-UHFFFAOYSA-N 401.559 1.568 30 10 HDEE C#CCN(C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(C)CC1 1652511736 FPEGJWGYZJWHCG-SFHVURJKSA-N 420.554 1.448 30 10 HDEE Cn1nccc1[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1652542480 MRDWCTVFQNJELA-IVMDAKODSA-N 403.483 1.357 30 10 HDEE N#CCCN(CCC#N)C(=O)Cn1c(-c2ccc(Br)cc2)noc1=O 1653060275 ATLZNXBGVIBTQU-UHFFFAOYSA-N 404.224 1.922 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC(C)C)c2ccccc2C)CC1 1668906769 XPVZGHUUQHOSCL-IBGZPJMESA-N 406.552 1.877 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1674331559 BHUBBMDGCDQYGK-PZJWPPBQSA-N 400.571 1.678 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)C(C)C 1675964398 PDMXDZPXHZYDKH-KNQAVFIVSA-N 422.570 1.344 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3CCC[C@H]2C)CC1 1681375694 ISQADPQZVJXJPS-VQIMIIECSA-N 404.536 1.495 30 10 HDEE O=C(NCC#CCO)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 1684876457 AYNDHIKCZXOFOH-UHFFFAOYSA-N 407.470 1.729 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1684997727 JTXDIBQMLUELEC-MQVJKMGUSA-N 420.510 1.885 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CCO1 1686446838 RPROSTURUBDJNU-NHCUHLMSSA-N 411.462 1.736 30 10 HDEE C#C[C@H](CC)NC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1686675922 SQFTUWPJUHEWBU-IAGOWNOFSA-N 406.527 1.899 30 10 HDEE C=CCOCCCNC(=O)N1CCC(n2nncc2I)CC1 1687074345 HCFZTWFCJYKMNY-UHFFFAOYSA-N 419.267 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1689846409 JJHTZIPWMVUENS-OAHLLOKOSA-N 409.469 1.635 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1689978483 WLGKLKSWFYWHSE-FHWLQOOXSA-N 405.543 1.572 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1csc(C)n1)[C@H]1CCS(=O)(=O)C1 1689988365 NOPOCNYZGLSRIV-INIZCTEOSA-N 405.549 1.790 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1689988376 NWGJBESDJYIREX-CQSZACIVSA-N 420.564 1.503 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 1690092348 FILNEVFDFOQIIP-GOSISDBHSA-N 402.543 1.332 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCn1cc([C@H]2CCOC2)cn1)C1CC1 1690536006 NCQDTSWTZDDTEN-INIZCTEOSA-N 413.526 1.972 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CC1 1690600819 FWSVAPNNJPWKMB-UHFFFAOYSA-N 400.527 1.444 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CN(C)C1=O 1690603417 AVPXNTXDOXAJIG-OAQYLSRUSA-N 414.510 1.723 30 10 HDEE C=CCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1690653549 WRTQYSDBHGCMHY-LAUBAEHRSA-N 403.527 1.859 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2CCOc2ccc(S(C)(=O)=O)cc2)C1 1690688647 YVNQGBRPTGVTEP-KRWDZBQOSA-N 406.508 1.850 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)CN(C)C1=O 1694734169 KQVNDZQWXITESR-NRFANRHFSA-N 411.485 1.656 30 10 HDEE CCOCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCNC(C)=O 1696347083 ITAKDFZGMOCTSZ-IBGZPJMESA-N 412.494 1.790 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1696935970 JHDPQNONMBXVMG-ZWKOTPCHSA-N 410.478 1.309 30 10 HDEE C=CCC1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C)CCOCC1 1702811578 JSNOMLFZPOJGFN-VMJIZDNZSA-N 402.535 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1705491039 WMOBYUZNGROCCB-ZDUSSCGKSA-N 421.461 1.865 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705523824 ZTWWPVLBFSFHPT-IIBYNOLFSA-N 410.478 1.723 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1705615911 MWRARIYWAVVBKK-OAHLLOKOSA-N 407.565 1.918 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1705632043 GJJPCUZNRDZBNV-VGSWGCGISA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC(C)(C)COC)CC1 1705638337 HDNKEALBUGSAMX-QGZVFWFLSA-N 402.543 1.437 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705658273 KLIPTBGQGZJVAW-KRWDZBQOSA-N 400.508 1.048 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1705706028 OMTJUFPEPDVLPG-FXAWDEMLSA-N 413.526 1.447 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC2(CC1)OCCO2 1705721138 MFIBJLFZWXWWIJ-AWEZNQCLSA-N 413.544 1.586 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705806076 WHUVWHPVQLNAPP-KRWDZBQOSA-N 418.542 1.312 30 10 HDEE C=CCCCn1c(COc2ccc(C)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705822695 NUKOVBXQJYAKQT-KRWDZBQOSA-N 424.505 1.279 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1705843691 LRDFKUQNWWTUJD-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@@H]1CC 1705929079 ZJVLBVKMGWBKSO-HOTGVXAUSA-N 409.556 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1705935627 XKHUNCFMLJCJQZ-UHFFFAOYSA-N 423.583 1.526 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1710326525 ANBMZJGIGFUZAH-ZWKOTPCHSA-N 410.478 1.309 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)no2)C[C@H]1OC 1712684717 FFZWLXHGYFZQAF-KDURUIRLSA-N 424.461 1.924 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)(F)F 1722348040 VDVGOSUXRYOPSP-UHFFFAOYSA-N 406.372 1.917 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](COC)C1 1722461866 IFNBDJDSTUXSHG-ROUUACIJSA-N 418.567 1.746 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722525049 IAOAMOMZPYTDIX-KRWDZBQOSA-N 417.558 1.013 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2CCCC[C@@H]2C1 1722700981 BDSZWOOSUOTCSJ-QGZVFWFLSA-N 400.552 1.907 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOC(C)(C)C)C1 1722717451 AXJKOYLBEOGHEK-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(C)C)C1 1722725166 LBMLUIFIMDIGSU-INIZCTEOSA-N 409.556 1.597 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC1CC1 1723768268 AJYDECOVMNJGJU-CQSZACIVSA-N 408.528 1.077 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1723969752 OUCPWSZFIXFVFZ-XERREHJYSA-N 415.469 1.948 30 10 HDEE Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cs1 1725453773 DAMRCLDLULAQNO-NWDGAFQWSA-N 411.557 1.634 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730485787 WXLKMTICYPRQTH-MRXNPFEDSA-N 410.457 1.851 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CC1=O 1730779839 ACXRJVVZBHBLLX-KRWDZBQOSA-N 424.509 1.360 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc1 1731185081 PNUVZSAPBLRZCC-OALUTQOASA-N 406.446 1.803 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(CC)cc2)CC1 1740694161 AQQJRFZDKIKNNS-HXUWFJFHSA-N 406.534 1.790 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](F)(C#N)C1 1740875607 GQFYEUVWVSHZTO-YOEHRIQHSA-N 412.491 1.019 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1 1740932212 JGSLTMBPJAYZKD-ROUUACIJSA-N 423.583 1.327 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1741004983 RBHUETGRJNIIQM-DNVCBOLYSA-N 422.555 1.063 30 10 HDEE C[C@@]1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1742016191 OPIUFXMSNXOJDM-MGPUTAFESA-N 417.441 1.530 30 10 HDEE CCC1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1744943869 KLFOZILUTYQELP-ZZEZOPTASA-N 422.493 1.888 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745191618 COFHOIKQXBZCRT-MRXNPFEDSA-N 410.526 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1748641318 FJVJOXNZQYSETC-CNNODRBYSA-N 418.586 1.414 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1748994260 WGXVKYBFGUNWPV-OAQYLSRUSA-N 414.598 1.613 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2([S@@](C)=O)CC2)CC1 1748995151 YOYOIPYSJAHNPR-GDLZYMKVSA-N 411.575 1.730 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)CCOC)CC1 1749009447 JCEXVXVWMWBQBE-SFHVURJKSA-N 417.554 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1749015218 APRCQBTVKKLIAQ-RBUKOAKNSA-N 415.538 1.248 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749020127 MGVHHLFYSNTYLY-GASCZTMLSA-N 416.507 1.142 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749189191 BUHOKHBQDXUCHF-MRXNPFEDSA-N 417.514 1.947 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1749412552 NWARJVHVKXAQPQ-GJZGRUSLSA-N 410.544 1.056 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1749485298 QAKRLTHTFJCMMW-UHFFFAOYSA-N 402.480 1.772 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1749681907 KNZZUBOURSBUBL-IIDMSEBBSA-N 418.542 1.166 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCS(=O)CC1 1749683459 UFPKVZXLXFOKNH-GDBMZVCRSA-N 409.556 1.068 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1760104719 DITDTTPCNSRSOE-JTQLQIEISA-N 419.262 1.876 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760129566 RKXAEGJONLWTNF-OAQYLSRUSA-N 400.527 1.716 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760162517 VHTSBFTVCGDHBH-OALUTQOASA-N 416.570 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](OC)C(C)C 1760198724 HPXKIUQAIXORPS-LJQANCHMSA-N 404.478 1.665 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760238207 MOGWAGMNEQZCAF-SFHVURJKSA-N 416.547 1.966 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@H](F)C2)CC1 1760264791 FOVKOUDDOYZCBC-NVXWUHKLSA-N 418.517 1.520 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760283516 PMQHBJGUJGIRFI-INIZCTEOSA-N 416.576 1.853 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCCCO1 1761235683 HPVHTTNDYNUSJP-IRXDYDNUSA-N 401.515 1.162 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1=CCCCC1 1761502627 QHWNEDIBPZEOQV-GOEBONIOSA-N 408.528 1.508 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(C)CN(C2CC2)C1=O 1764078364 QRXCKRRACFYZBO-QKKBWIMNSA-N 415.542 1.803 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1769094330 DYDSQNMTBNJAIU-KRWDZBQOSA-N 424.505 1.978 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(C#N)CC1 1769365553 BITAIYDTXLYXQW-UHFFFAOYSA-N 404.496 1.243 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)SC 1770215679 PBMMCUWOEXTVMJ-ATLSCFEFSA-N 420.583 1.930 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3CC(=O)c4ccccc43)c(C#N)cc2C#N)CC1 1851262393 QBSYCNVDBLCUMJ-GOSISDBHSA-N 400.442 1.885 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c1C#N 1853332585 TURFCTJGJDIXLB-UHFFFAOYSA-N 419.429 1.768 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@H]1C 1854726279 RRWXNFFLDDGQBD-WBVHZDCISA-N 423.510 1.614 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CC(n4nccn4)C3)CCC2=O)c1 1854959679 WFSZRDZGGZPVMT-OAHLLOKOSA-N 412.881 1.933 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1855019291 MIQAQXULFFXKCW-GOSISDBHSA-N 416.909 1.962 30 10 HDEE N#CCCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)C1 1855563443 SXBUMJAYDDQQCL-UHFFFAOYSA-N 418.519 1.449 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(CCc3cc(C)on3)c3ccccc32)CC1=O 1855770703 LXHNKCXZZJESHJ-MRXNPFEDSA-N 408.458 1.940 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CCN1[C@H](C)CCC#N 1856263167 TXNWEYIZUOFYNU-KGLIPLIRSA-N 418.444 1.788 30 10 HDEE COc1ccc(OCC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(OC)n1 1856518763 OCOLJFYFUMBYNG-LSDHHAIUSA-N 414.462 1.231 30 10 HDEE CCc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856652869 HMFSIOVHODXFCY-KRWDZBQOSA-N 405.476 1.775 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)C[C@H]3CCOC3)C2)CC1 1857397768 PTFYPVHTZQWNEI-MSOLQXFVSA-N 411.506 1.267 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1862179447 OUTJPPIUPBSZOY-HZPDHXFCSA-N 413.474 1.531 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1866359329 JURSKLIPHSTQQM-SNVBAGLBSA-N 422.235 1.651 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1 1867935567 OTIKVZHDQPVVDP-FQEVSTJZSA-N 403.548 1.810 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN1CC(O)C1 1870700107 ZKBFKEHCPGETCH-UHFFFAOYSA-N 413.474 1.627 30 10 HDEE CC(C)Cc1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874488523 WCFYGJFCLPXJNK-UFWORHAWSA-N 420.451 1.616 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 1889374501 PTGKLUSMWIEYCO-JOCHJYFZSA-N 413.518 1.085 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@H]3CCCN3S(C)(=O)=O)cc21 1890798927 GYUNSHNEIVFCDG-OAHLLOKOSA-N 421.519 1.987 30 10 HDEE C#CCN(CC(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2016653952 OZUVFDAZIDDPQT-KRWDZBQOSA-N 402.394 1.541 30 10 HDEE C#CC[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CCO1 2074736325 HVXZTQWCUMMWTD-INIZCTEOSA-N 404.488 1.507 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 2180094713 JHBHNYBXNBXXDN-CYBMUJFWSA-N 413.521 1.682 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386762 HENFFXKPYPCOLM-VXGBXAGGSA-N 408.308 1.740 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2247846857 NMUADWQPUUOGHG-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN2Cc2ccccc2)n1 2247923090 SITNMIQTCPEJLJ-INIZCTEOSA-N 411.315 1.119 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248440277 AIECFKZAVIPPQD-CYBMUJFWSA-N 421.303 1.595 30 10 HDEE C=C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258153676 WBGRKLGHFQLZTP-IRXDYDNUSA-N 410.492 1.729 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267362136 NHJMHVUPCGIOCF-SNVBAGLBSA-N 407.750 1.916 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCCSCCCO)c(Cl)c2)OC1(C)C 2281993780 GRFZDIBCFSAOID-UHFFFAOYSA-N 400.737 1.880 30 10 HDEE C[C@@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(C)(=O)=O 2282008911 MADCQKKGKGRHCG-JTQLQIEISA-N 402.709 1.197 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3nc[nH]n3)cc2Cl)OC1(C)C 2282309363 DOYJYIRWUPRJIW-UHFFFAOYSA-N 418.737 1.340 30 10 HDEE CSC[C@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282332417 AJRNUTVVMXOEAT-HAQNSBGRSA-N 401.363 1.139 30 10 HDEE CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338285 QEBWIBZIUARFDN-NSHDSACASA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCN)CC(F)(F)F)s2)OC1(C)C 2282350033 HFARAUFWONBZFQ-UHFFFAOYSA-N 414.280 1.559 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CC[C@@H](CO)C2)OC1(C)C 2282504788 UOQIVVKEWFOPBR-VXGBXAGGSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCO[C@@H]3CCNC3)c2Cl)OC1(C)C 2282646352 OGHAGZIDIVZXKP-LLVKDONJSA-N 400.737 1.809 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCNC1 2282835504 VRSXXRBJJSCFDA-QWRGUYRKSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCCNC2CC2)OC1(C)C 2282839043 XXBFYPSOSMREFA-UHFFFAOYSA-N 400.375 1.609 30 10 HDEE CNCCN(C(C)C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282840363 GHMWPWNYUPZFOW-UHFFFAOYSA-N 402.391 1.807 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282843419 NEPWOTUVHYMROH-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CN([C@H]1CCOC[C@@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848254 LECNJKXBUMNRKP-RYUDHWBXSA-N 405.322 1.795 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1ccsc1Cl 2282853029 XPWAQACKMNFRIH-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(F)cc3Cl)s[nH]2)OC1(C)C 2284066185 QLHNGZONIDGEIM-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE CS[C@@H](C)[C@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369626 XRUPSPODSZYUBW-WPRPVWTQSA-N 400.331 1.685 30 10 HDEE CCCN(CCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284405288 ITNHMPZKWMDFAO-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(C(=O)O)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2284405725 OUZFNMSQNUCXEI-MGPLVRAMSA-N 401.315 1.497 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OCCNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2290018163 BHQWDVWWOIUYSX-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE C[C@@H](C#CC(=O)N=c1ccc2ncc(Br)n2[nH]1)NC(=O)OC(C)(C)C 2326733213 TZNNVDHADWEEJE-JTQLQIEISA-N 408.256 1.769 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc2c(c1)OCCO2 2331259754 XVVWYWWCYOBEKJ-UHFFFAOYSA-N 419.507 1.739 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362563735 GTVGQDCTXCUZNL-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367793602 CVMIRWNLBVIKQX-OAGGEKHMSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819840 PRHXQXSYEASVDC-DAYGRLMNSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CC)CCNC(=O)OC(C)(C)C 2367825923 TYYODJFKWCSGEZ-DNVCBOLYSA-N 402.557 1.601 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)Nc2nc(Cl)ccc2C#N)(S(C)(=O)=O)C1 2379795069 HOPHDTRHFRHSIE-UHFFFAOYSA-N 414.871 1.579 30 10 HDEE COc1ccc(/N=C2/S[C@@H](C(=O)O)CC(=O)N2NC(=O)c2ccncc2)cc1 5675723 ORQNQJCRLFMISZ-NXHAUGRDSA-N 400.416 1.841 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC[C@H](O)CN3CCOCC3)nnc12 24087211 UTMUCXPEJZXAJA-CQSZACIVSA-N 401.492 1.015 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)Nc3cccnc3)o2)c1=O 101351002 GRVBJNKCZZPJBN-UHFFFAOYSA-N 414.447 1.131 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 410076489 ZBUVHLFTOOALPH-RDTXWAMCSA-N 412.508 1.204 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@@H]1c1ccnn1C 410286586 IFPLYTYONSPACY-RDTXWAMCSA-N 401.492 1.712 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)cc1 429479485 XIYVKTWZXCKZLT-UNEWFSDZSA-N 406.508 1.624 30 10 HDEE CNC(=O)C[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 430931157 AXTBEUCEOVSYQM-VQTJNVASSA-N 419.485 1.836 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cn1 436635454 NSZRJFPKKHXIAV-UHFFFAOYSA-N 417.429 1.834 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)ccc1Cl 443738702 UNGDQJSPZJREFH-NSHDSACASA-N 420.921 1.386 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)ccc1C#N 443911997 ZYGHHIWWLIBTSA-INIZCTEOSA-N 404.536 1.620 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CCO)Cc1ccc(OC)cc1OC 460382889 GQSJJXBSNQHIKX-LJQANCHMSA-N 418.494 1.958 30 10 HDEE CC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H](C)C1 478007718 YOQUHUVQVICUDM-OAHLLOKOSA-N 418.519 1.038 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 487167072 UIHCYTNDCDRYOL-UONOGXRCSA-N 413.430 1.916 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)c2C)nn1 492105962 AYWGJRIEOMRFMQ-UHFFFAOYSA-N 418.461 1.599 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(OCc3cscn3)c2)CC1 492319771 IHTLXWIZWAWLBS-UHFFFAOYSA-N 400.504 1.782 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506841356 RDJJIWGDQIACRR-FQEVSTJZSA-N 420.517 1.483 30 10 HDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 508892585 DARNGGMEEHHYTC-MRXNPFEDSA-N 415.494 1.678 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 511173473 QLAQCTWEFYGYFO-MRXNPFEDSA-N 416.497 1.414 30 10 HDEE CSc1nc(O)c(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)cc1C#N 511791320 GQYVKFLQXFTQTP-LLVKDONJSA-N 422.507 1.689 30 10 HDEE N#CC1(CNC(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CC1 520296888 AROWPXUHHLOKHM-QMROVXIMSA-N 401.466 1.886 30 10 HDEE COC(=O)c1cc(I)cc(NC(=O)Cn2cnc(C#N)n2)c1 534204394 HGJDHQPGPJJYHF-UHFFFAOYSA-N 411.159 1.180 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2)c(F)c1 553124162 SSLIWCNXZVITQS-ZWKOTPCHSA-N 414.481 1.621 30 10 HDEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCCn1cnc(C#N)n1 553958900 FZGBDEVWVCBXJE-LPHOPBHVSA-N 410.526 1.795 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@]2(CCOC2)C1 555266799 GLROWSQWXAHVHV-HXUWFJFHSA-N 418.519 1.920 30 10 HDEE O=C([C@H]1CCCN(CC#CCN2CCC[C@H](C(=O)N3CCCC3)C2)C1)N1CCCC1 560158778 AYLMHUPOEJBTDA-VXKWHMMOSA-N 414.594 1.659 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 574487873 BNNNNCCKKJBCCS-KGLIPLIRSA-N 417.539 1.514 30 10 HDEE Cc1nc([C@H]2CCCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)no1 581520133 ILUPWRUTXRHXOH-MRXNPFEDSA-N 403.464 1.672 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)Cc1cccnc1 586152546 RNCMUISZYDNJSO-UHFFFAOYSA-N 400.460 1.931 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)[C@@H](CC)C(=O)OCC)nc1C 586304312 OMHBDXQWEXGKIO-KPHLJTLVSA-N 402.494 1.823 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C(C)C 589188344 NPQSQHSCUSFROX-UXHICEINSA-N 406.571 1.965 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)NC)cc2)cc1 614831383 YZTJQBFTEAVXCR-UHFFFAOYSA-N 423.516 1.654 30 10 HDEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665262 XJWZOJAXQUORLB-HNNXBMFYSA-N 412.519 1.641 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C(=O)OC(C)C)CC2)c1 732988768 WHJOPDFIOYYNCS-UHFFFAOYSA-N 409.508 1.890 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 743220692 KQMMSUQGEJAAQK-KBXCAEBGSA-N 413.478 1.572 30 10 HDEE CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 743511242 DSFPKZFNZNZWFC-WOSRLPQWSA-N 415.519 1.929 30 10 HDEE COc1ccccc1C[C@H]1CCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 746865188 AOOHHGHWAWJFFU-MRXNPFEDSA-N 413.499 1.967 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 758613339 UDCFLVRABCLKQK-HNNXBMFYSA-N 411.501 1.978 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 772278062 KSQSYEBDMYSCLC-HNNXBMFYSA-N 412.515 1.504 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(=O)N2CCCc3ccccc32)n1 788902383 ZLCNOEUZGQBZKM-UHFFFAOYSA-N 409.490 1.654 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)NCCNc3ccc(C#N)cn3)CC(=O)N2C(C)(C)C)cn1 794924602 KKSGTFFQBYZLBV-LPHOPBHVSA-N 409.494 1.603 30 10 HDEE C[C@H](C(=O)OCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)n1cnc(C#N)n1 798742193 IMELFYNHEQYVOI-LLVKDONJSA-N 417.472 1.981 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1cccc(Cl)c1Br)n1cnc(C#N)n1 798861774 OQGMHZNXFNXTCF-SSDOTTSWSA-N 418.660 1.632 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 802557898 HBSGCWGOZJONFB-QFIPXVFZSA-N 424.505 1.997 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCS(=O)(=O)Cc2cccc(-n3cccn3)c2)nc1 809173015 BOPODKUKHRLABL-UHFFFAOYSA-N 416.484 1.528 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(C)C 809801965 KSROFLZDLGHNGP-SFHVURJKSA-N 407.536 1.409 30 10 HDEE C#CCC(CC#C)C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 816640402 HEJMTDVAUGFEIM-UHFFFAOYSA-N 406.529 1.657 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCC(=O)N2)cc1 1125238858 MQVDWOHIHAKIQC-ODENVGOISA-N 406.508 1.887 30 10 HDEE CNC(=O)Cn1nc(NC(=O)COc2ccc(C#N)c(Br)c2)cc1C 1127651420 ACFWEHFOWKLWDM-UHFFFAOYSA-N 406.240 1.589 30 10 HDEE Cc1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)cc(S(=O)(=O)N(C)C)c1C 1134817699 GRYRCJYGKXDACV-UHFFFAOYSA-N 403.464 1.404 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(C(N)=O)CCOCC2)C1 1141560490 CRZCTXHATQXIJE-UHFFFAOYSA-N 421.295 1.155 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2)c1 1141877836 FAJSDVYNGFHEIG-DYTRJAOYSA-N 408.524 1.550 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1150810178 CQNWTCBFHVVUAZ-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE N#Cc1cc(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ncc1Br 1162190086 NOPBUOWPCMNIRY-UHFFFAOYSA-N 414.263 1.900 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1174716366 QHRRZOPHMLRESZ-LAUBAEHRSA-N 421.563 1.601 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cn(C2CC2)c(=O)nc1O 1176143105 UNWBPFFIVRKQNH-UHFFFAOYSA-N 407.434 1.064 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC2(CC1)C[C@H](O)CNC2=O 1176727529 HLLOXHKSJAPELT-HOTGVXAUSA-N 416.547 1.982 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1177763667 OKMICZYJKKNHSU-JBLFJGJOSA-N 422.522 1.827 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@H](O)c1cnc[nH]1 1177837011 HLEYLEZVLAYJLW-ZWKOTPCHSA-N 411.462 1.965 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)C2)nc1 1178460818 SKGWPCRKTPFLFB-MOPGFXCFSA-N 417.469 1.875 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(=O)c(O)co1 1179886706 SESTWRVYVFMTTE-AWEZNQCLSA-N 419.459 1.259 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)CC1 1220875862 BNXVEFASOWGYAV-UHFFFAOYSA-N 413.522 1.422 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1252548464 HUIARXQRLZZTEX-LLVKDONJSA-N 403.482 1.057 30 10 HDEE COc1cc(C#N)ccc1C(=O)NCCNC(=O)c1ccc(Br)cn1 1278960261 USQPXPOJXPQWPG-UHFFFAOYSA-N 403.236 1.884 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1286349387 IMNNHMGHFXKDOL-NVXWUHKLSA-N 421.523 1.815 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1286361149 LQMMQWONKSDUAR-AWEZNQCLSA-N 401.496 1.008 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1286420490 HTGQPYCXUJNJHN-UHFFFAOYSA-N 424.530 1.609 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(C(N)=O)CCCC2)CC1 1286473272 JQYQSOCRNJYHSR-UHFFFAOYSA-N 422.533 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCc2cccc(C(N)=O)c2)CC1 1286491335 NJHWSDPICQUXJS-UHFFFAOYSA-N 408.506 1.148 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOC[C@@H]2CCCO2)CC1 1286491517 VKRWMLIJJHGBBE-SFHVURJKSA-N 403.527 1.392 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286609824 RLFYBVVYUFPPCM-OAQYLSRUSA-N 412.494 1.888 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(c4ccccc4)COC3)C2=O)cc1 1289306785 MOSJVMIPZBBZJV-GOSISDBHSA-N 404.426 1.805 30 10 HDEE CCN1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1292984992 AYXBGZHUIMMQBI-DKTYTTGXSA-N 419.570 1.527 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccccc2F)c1OC 1293084909 ZDIXECWRIYQPEA-AWEZNQCLSA-N 407.423 1.502 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cc(OC)c(OC)cc1F)c1cc[nH]n1 1293311381 STSMMOBCNFQUHV-LLVKDONJSA-N 422.413 1.727 30 10 HDEE CCN1CCN(CCCCn2c(CC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1296203440 NIWXUEDODDRHEY-IBGZPJMESA-N 403.575 1.623 30 10 HDEE CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1 1297559260 VVVBIAUNEYMRQX-SFHVURJKSA-N 407.471 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1300268536 RTQUCGFJMQQECG-INIZCTEOSA-N 418.505 1.909 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H]2COCCO2)c1 1300332418 FKKRUPUPUNFPRC-SFHVURJKSA-N 420.473 1.745 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1300469841 BOGOMFCDFWCJMZ-UHFFFAOYSA-N 404.478 1.594 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCN2CCOC[C@H]2C)CC1 1300692323 DRNFACFVQSBLJK-HXUWFJFHSA-N 408.550 1.729 30 10 HDEE COc1cc(N)c(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1S(C)(=O)=O 1300768855 STDGANDBYGFFTQ-UHFFFAOYSA-N 420.516 1.576 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1301622160 ABJBKYGKJROVQE-XHSDSOJGSA-N 409.556 1.636 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(-c2nc[nH]n2)cc1 1301953812 UJEFCBKYUZSVAQ-AWEZNQCLSA-N 407.482 1.846 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)COCCO1 1302052689 NZTJUOUQZKLGIB-UXPWSPDFSA-N 407.515 1.938 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1 1304181092 AIEXJXJRTBQTPH-LJQANCHMSA-N 415.494 1.602 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCCC1 1305739201 DXZAYGUVYVBDKD-UHFFFAOYSA-N 415.542 1.982 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@]34CCCC[C@@]3(CN(C)C4)C2)cc1 1305905207 HBIJHRLYGZYEIL-OYRHEFFESA-N 401.532 1.546 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C1=O 1309446287 XQFALIYPFPUJEG-GFCCVEGCSA-N 404.847 1.673 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(OC)ccc1C(=O)OC)C(=O)OCC 1309762886 VMWJRYFKXYEOSQ-ZDUSSCGKSA-N 405.856 1.834 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[C@@H]2CCCS2(=O)=O)C1 1312469790 QXTRJHJWENUVJQ-MELADBBJSA-N 400.501 1.012 30 10 HDEE C[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)[C@H]1CCNC(=O)OC(C)(C)C 1312661001 HYQLIGJLNILALW-GJZGRUSLSA-N 405.503 1.875 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)n1 1312748598 JFHPXYKYYXJBJC-MRXNPFEDSA-N 416.503 1.245 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)cc1 1315537065 JNLJOQWPAMUBSI-MOPGFXCFSA-N 411.462 1.940 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H](C)O1 1315929116 BNRXZVBGQBXEPD-RDTXWAMCSA-N 408.466 1.234 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCc1cnn[nH]1 1347059471 VUOFOSNDIZYOLC-NSOKGPEJSA-N 401.511 1.747 30 10 HDEE C=CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1352903585 BEUYEQWIDIDQJX-CYBMUJFWSA-N 413.293 1.901 30 10 HDEE Cc1cnc2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4\CCCN4C)c3)nn2c1 1354741286 PUTXDTXXLXULNV-HZHRSRAPSA-N 413.463 1.498 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCC[C@H](O)C1 1358941364 HGUFVGMNZPRHOF-WBVHZDCISA-N 402.520 1.969 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358955637 QGUBXDXWQBATDP-OAHLLOKOSA-N 423.583 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1-n1cccn1 1358968127 ZVDMVHHYXLSEMN-UHFFFAOYSA-N 413.485 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCOC1 1358973992 NBFKEYZSFRUHJH-QGZVFWFLSA-N 402.462 1.420 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCC2(OC)CCC2)CC1 1359044587 JRQRGEUDEQTAMD-SFHVURJKSA-N 415.538 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC1(O)CCOCC1 1359063596 YOQIQHCKSHZQHT-OAQYLSRUSA-N 424.505 1.849 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC12CCOCC2 1359282239 VKIBKTDWFIGHAN-IAGOWNOFSA-N 424.567 1.636 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359292557 SAQWWJAJPQHQIJ-MRXNPFEDSA-N 405.547 1.678 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](NC(C)=O)C1 1359301784 KXOQSFORGGPCFY-QGZVFWFLSA-N 414.485 1.415 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1359386861 PSJFFQBUDDTGGV-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1360799423 YPRQHAYGNASOBL-DLBZAZTESA-N 405.462 1.460 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cccc(OCC(N)=O)c3)n[nH]2)c1C 1444986658 KXXUHWQXLDRGMP-UHFFFAOYSA-N 408.462 1.870 30 10 HDEE Cc1noc([C@H]2CCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1449219753 LGQLYHACNRLIRE-JKSUJKDBSA-N 408.418 1.818 30 10 HDEE C#CC[C@@H](NC(=O)c1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1451181336 OKUDHFFPHQSEGW-JKSUJKDBSA-N 404.467 1.750 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@]4(CC(C(=O)OC)=NO4)C3)n[nH]2)c1C 1454917314 BPBIUYYUFOOPCI-FQEVSTJZSA-N 412.450 1.610 30 10 HDEE CCOC(=O)[C@H](C[C@H](C)CC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455822143 BSIOZXOKRHMMAK-KEYYUXOJSA-N 409.508 1.709 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)ccc1F 1457061437 IAJBDDBCQQBQHU-UHFFFAOYSA-N 423.510 1.859 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1461243987 SVFPBZMZHVVPHJ-KSSFIOAISA-N 413.865 1.898 30 10 HDEE COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1462012479 WCWBDFIRPQDAEB-JKSUJKDBSA-N 413.455 1.640 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1)C(=O)OCC 1464255013 IQHCQSKJLAVOPG-GFCCVEGCSA-N 401.828 1.394 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1466719116 BSWDYHNRXASXQE-MGPUTAFESA-N 412.450 1.838 30 10 HDEE C[C@@H]1CS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466907565 DJNXJUXUIZLDGP-PPXVZNSRSA-N 411.524 1.419 30 10 HDEE C[C@H](CC(=O)N(C)[C@H](CO)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1468341287 AGFFFSAJUCPRQP-RHSMWYFYSA-N 401.488 1.696 30 10 HDEE C#CC1(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCCC1 1468647682 SCGZKBBGLWFJDM-UHFFFAOYSA-N 406.288 1.156 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN(CCO)C(C)C)CC2)cc1 1469307095 IBWMAVXPDOAXMX-UHFFFAOYSA-N 421.563 1.153 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(Cc2nc[nH]n2)CC1 1469827065 GWNXPRBCRVUASE-UHFFFAOYSA-N 405.256 1.162 30 10 HDEE COC1(OC)CCOC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470328509 VSAVKSMADFWGMH-BBRMVZONSA-N 407.854 1.459 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(Cc3ncc(C(=O)OC)s3)CC2)C1 1471338221 WZOINDCRANJVQQ-INIZCTEOSA-N 404.536 1.991 30 10 HDEE CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)NCc1cncc(C#N)c1 1471967199 IJWKQFRIJGABDK-QFIPXVFZSA-N 403.442 1.959 30 10 HDEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1472319714 RABRTIMLYBDQTE-PKOBYXMFSA-N 404.532 1.992 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(CCS(=O)(=O)c3ccc(C#N)cc3)C2)CCC1 1473828623 DAXJYBRPJNLYTB-FQEVSTJZSA-N 406.504 1.502 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1475476602 ORRMOZKRYNTCDL-JTQLQIEISA-N 409.291 1.123 30 10 HDEE C#CCN1CCC(NC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CC1 1476380970 PQNZSUNSKYLIPA-UHFFFAOYSA-N 401.467 1.402 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCOCC1 1477409493 NXXRBZKFANHEIH-FQEVSTJZSA-N 419.547 1.876 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OCC(C)C)cc2)CC1 1477810601 IMRWZEWMROEHII-UHFFFAOYSA-N 422.551 1.059 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1478904695 FOJKXQJCNDFJSJ-GDBMZVCRSA-N 407.478 1.345 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1499507815 KPHOQTWYXZGANY-OSFNYYGPSA-N 401.551 1.900 30 10 HDEE CCn1cc(CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)cn1 1502221457 DQGXLQJRDFYGJR-UHFFFAOYSA-N 402.466 1.846 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2nncn2C)CCOC1 1502660001 HSJUOIHXEJWBRE-IBGZPJMESA-N 400.487 1.237 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1503671587 BEOQQNUGALAASY-QFIPXVFZSA-N 421.505 1.500 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1504886997 PUKSCIJDEZSPSP-UZLBHIALSA-N 400.483 1.978 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1507628124 UZYFIZGJSAYPGX-HNNXBMFYSA-N 418.475 1.021 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507631208 MTCYMEVCTFWWFQ-IRXDYDNUSA-N 412.519 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O 1507666889 GZOJZDVBACGONO-QZTJIDSGSA-N 404.536 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@H]1C 1507671787 PPZWGNWAQOVISN-FDDCHVKYSA-N 418.501 1.519 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CCOCC1 1507713979 DXMHDKAUZDVBIW-ROUUACIJSA-N 406.527 1.905 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC1 1507730533 SJLMFHCWBVNNSS-SIKLNZKXSA-N 411.506 1.707 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCSC1 1508139543 CMKWMVKKMKAKCS-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC(C)(Cn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1508721522 FPFLOXHRYCDBAH-GOSISDBHSA-N 402.543 1.850 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1512576450 GEHSDRXNAAYTAM-KSFYIVLOSA-N 419.489 1.826 30 10 HDEE C=CCOCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)[C@H]2COC[C@H]21 1513116638 FBUKUEVMSNXOBX-FQBWVUSXSA-N 404.507 1.223 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCCC1 1513923178 HICHALGGDGOVAC-ROUUACIJSA-N 423.569 1.949 30 10 HDEE CCN1CC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1515849090 KCHILECHPLTJQK-UEXGIBASSA-N 418.542 1.389 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1535553226 SJJFIOJFRNSIRM-HNNXBMFYSA-N 418.519 1.100 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1539002052 OZHDHMHUAWCTOY-VGOFRKELSA-N 405.506 1.655 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1539015063 NRZFYUMJMIRZSA-WMZOPIPTSA-N 417.535 1.426 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1539201676 BSLWTUCYARHALU-MRXNPFEDSA-N 409.600 1.790 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](NC(C)=O)c2cccc(Br)c2)C1=O 1539964755 RPVOSRZKHVSQPN-HOTGVXAUSA-N 408.296 1.872 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H]1CO 1540074337 XXBITULCCATPPK-IRXDYDNUSA-N 411.572 1.039 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC=C(C(C)(C)C)CC1 1540862620 GBSKQAAHBCCVCO-AWEZNQCLSA-N 424.571 1.373 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1540868499 HUYDFDYJEFHTGG-QGZVFWFLSA-N 423.525 1.700 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@H](C)C2)C1 1540893114 XLFJKGGRSVPVAV-BRSBDYLESA-N 424.567 1.777 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)N(C)Cc1ccccc1 1543249529 VFWPSTIVJHHWNP-UHFFFAOYSA-N 417.473 1.780 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1544568906 NXVUTXLMPYWIPO-GJZGRUSLSA-N 401.529 1.223 30 10 HDEE CC(C)COC[C@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1545570590 PAMKRADKURFJJG-JWRWLIQVSA-N 409.527 1.923 30 10 HDEE CCCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1547262507 RMRPABVASUBUHX-SFTDATJTSA-N 418.542 1.975 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1552681275 KJYBVHLFOBFMLK-DLBZAZTESA-N 424.461 1.799 30 10 HDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1555468980 GMNBJNPFKSXTIL-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE COCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(=O)OC 1556894986 CNNARISEZVOZOM-YCTJDYOESA-N 409.483 1.468 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)NCC)sc2C)c1 1557743700 DNCNMNMTSHHRNZ-UHFFFAOYSA-N 405.501 1.970 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@]3(CCSC3)C2)CC1 1559933866 HGJCQNURDMUWCU-TZIWHRDSSA-N 418.538 1.742 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CCSC)C(N)=O)cc1 1562197564 ONJUSGAJROXVSB-AWEZNQCLSA-N 400.526 1.222 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCc4cc(Cl)nnc4C3)C2=O)cc1 1564689570 IPSNUFUFVVITBZ-INIZCTEOSA-N 410.865 1.870 30 10 HDEE CO[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)s1 1565630233 VMVPTOZDPPGOSV-MNWMYKRDSA-N 414.281 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(CC#N)CC2)C[C@H]1[C@@H]1CCCO1 1565814883 MAXINAPNCUYMDQ-BZSNNMDCSA-N 406.527 1.849 30 10 HDEE C[C@]1(C#N)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CCO1 1585426477 YOJWYCCVODNRCG-FCHUYYIVSA-N 406.442 1.748 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1C 1585477067 WTRXHPALOPCWKI-UHFFFAOYSA-N 406.504 1.788 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1585546875 RYUVNZTXDHOIQB-YOEHRIQHSA-N 410.492 1.037 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1588138768 IWACKMHJTQRHPS-HNNXBMFYSA-N 401.492 1.160 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1588158916 LSSCAOMFCQOEOT-UHFFFAOYSA-N 414.510 1.388 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1nnnn1CC1CC1 1589150716 JIHWMPHGWOUFRN-MGPUTAFESA-N 414.514 1.439 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)CC1 1594096354 AUTPKPGPIGSVMU-MRXNPFEDSA-N 411.597 1.385 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](COC)OC)CC1 1594182290 WXIJUCKAMTYCGE-MRXNPFEDSA-N 400.483 1.989 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC 1595134369 YYDVHMDAASOKCA-MRXNPFEDSA-N 400.458 1.697 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1595602611 OMSZSBUNPUHBEB-UTKZUKDTSA-N 421.542 1.485 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CCCO)C1 1595715271 UOPSMANCMUGIPS-ZWKOTPCHSA-N 413.526 1.363 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 1596610343 PPVYUQBVZSJTRY-UHFFFAOYSA-N 403.426 1.904 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1596814590 XNKUUQSGPBFFFA-OLZOCXBDSA-N 420.495 1.036 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1596821774 FQLRHTOPTLQURB-NVXWUHKLSA-N 409.494 1.484 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)COc1c(C)cccc1C)c1cc[nH]n1 1597384401 UYVNOHGZKLEAPS-OAHLLOKOSA-N 402.451 1.894 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 1598066227 YZOVWMPMZJKCFB-UHFFFAOYSA-N 412.450 1.528 30 10 HDEE C#CC1(O)CN(C(=O)CCC(=O)N[C@H](C)C(=O)c2ccc(Br)cc2)C1 1603216148 GEWRUMFKEDQKQZ-GFCCVEGCSA-N 407.264 1.123 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1612877581 CPCXPWOTNXPEQU-XOBRGWDASA-N 412.519 1.352 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1615888669 LFVKATQZKOJEGF-RBUKOAKNSA-N 403.575 1.938 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C[C@H](O)c1ccc(C#N)cc1 1618803241 GZNOCGFTNSFSAM-KRWDZBQOSA-N 404.448 1.410 30 10 HDEE CO[C@]1(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1619062864 MJIVJDLGUVGBHB-LEWJYISDSA-N 419.526 1.864 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1620358865 HTEBABUIIOMXES-CVEARBPZSA-N 420.539 1.327 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1620525718 RXXMDZNCZUINQW-CYBMUJFWSA-N 405.524 1.457 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnn(C)c1I 1622080758 IFBILNXFPLUXCH-ONGXEEELSA-N 411.265 1.284 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1cccs1)N1CCCC1)c1cc[nH]n1 1623431370 OPPMIHZRTMDRFI-OAHLLOKOSA-N 419.507 1.708 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(Br)no2)c1 1624420486 KTEUKDXXVHHFQJ-UHFFFAOYSA-N 402.201 1.803 30 10 HDEE CNC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1625229399 SYBFGKIDSHKZMK-UHFFFAOYSA-N 406.284 1.241 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCOc3ccc(Br)cc32)CC1 1626966519 FYQIMDKJQBKMJN-HNNXBMFYSA-N 420.307 1.209 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1628663247 YQRRLCXSVWDGET-GOSISDBHSA-N 403.460 1.546 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(N)(=O)=O)ccc1OC 1629007453 IZJLBAIHGAULLN-ZDUSSCGKSA-N 411.480 1.588 30 10 HDEE Cc1cc2nccc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2n1 1630445513 VICUUNDAUMLRFS-OAHLLOKOSA-N 403.402 1.753 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCn4cncn4)CC3)n[nH]2)c1C 1634355574 IFOPPVDQFAYIKW-UHFFFAOYSA-N 409.498 1.126 30 10 HDEE Cc1oc(C#N)cc1C(=O)N1CCN(c2ncc(I)cn2)CC1 1635091136 UEYFDMDQNHEIHL-UHFFFAOYSA-N 423.214 1.817 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CC4(CCC4)CO3)CC2)cc1 1638478403 AHSYRRKINBUHKO-QGZVFWFLSA-N 418.519 1.533 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H](C#N)CCc1ccccc1 1638991609 HJROUQIABPHVTR-SJORKVTESA-N 406.504 1.726 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C12CCC2 1641441562 AEYLLVGQTRTKMS-AWEZNQCLSA-N 417.466 1.259 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)ccc21 1641584383 IADPFCAFMFOWGP-UHFFFAOYSA-N 417.469 1.520 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1642899769 CCIBFFGCMWOKOP-UHFFFAOYSA-N 422.507 1.972 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 1644638559 ULWMGQKOOSTBRH-OAHLLOKOSA-N 420.307 1.778 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCN3CCSC[C@H]23)s1 1644757353 CWZUYTIQHQRUAI-LSDHHAIUSA-N 415.606 1.451 30 10 HDEE C=CCCC[C@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OC 1644819315 GZFMSSVZQDCTNL-VIFPVBQESA-N 401.349 1.340 30 10 HDEE CC(C)Oc1c[nH]ccc1=NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1647626400 URVFYLMJNHJGDS-ZDUSSCGKSA-N 402.476 1.747 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(Br)cc3Cl)C2)c(=O)nc1O 1653762703 AOKAFHNFNUQJHL-UHFFFAOYSA-N 423.654 1.862 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nc(N)n[nH]3)CC2)CC1 1658837638 WSVCUUQMQNOCHZ-HNNXBMFYSA-N 414.539 1.037 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N(C)CC(=O)N1CCN(C)CC1 1659618707 AHYLGVCAVALKEZ-QGZVFWFLSA-N 401.511 1.036 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc1 1668388904 ANVYNZJNWUEMRN-GJZGRUSLSA-N 416.478 1.689 30 10 HDEE C#CC1(F)CN(C(=O)NCCCNC(=O)c2cc(OC)ccc2Br)C1 1671668905 JCNXSWOMZOBBKS-UHFFFAOYSA-N 412.259 1.944 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNC(=O)NCC(=O)NCC#N)Cc1ccccc1 1672532357 DUPVLTGSDMMXEB-MRXNPFEDSA-N 403.483 1.451 30 10 HDEE C=C[C@H](C)ONC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1674081189 OTNRPSLYECTLAN-ZDUSSCGKSA-N 413.496 1.662 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 1679198308 PROWQLCOIZCZFH-FQEVSTJZSA-N 403.571 1.108 30 10 HDEE C=CC(C)(C)NC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1679508232 GWZWVNDAWHCDJX-UHFFFAOYSA-N 419.525 1.055 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1681943985 YCQXADHSOKVEEA-GUYCJALGSA-N 415.487 1.475 30 10 HDEE Cc1ccc(CNC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1C#N 1683990081 BTAKBFJXENAAGP-UHFFFAOYSA-N 411.506 1.512 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1689854515 BKWNCGCEAFFBIA-VQTJNVASSA-N 409.582 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCCNS(C)(=O)=O 1689863711 ZPJMRXJJLHQQDO-KRWDZBQOSA-N 419.551 1.871 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1689936827 FZWVHDQAZXXDHP-UHFFFAOYSA-N 404.540 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnnn1CC1CC1 1690008486 HQTZNJSKYUCQPO-UHFFFAOYSA-N 407.869 1.511 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC 1690046917 HYJJORMKSATNNU-SFHVURJKSA-N 412.515 1.700 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1690095895 HGVWANYHTNPWIU-UHFFFAOYSA-N 404.478 1.664 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1690167859 OYYNOEZNDXRWBY-UHFFFAOYSA-N 424.534 1.237 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1690180421 FUONEACOMBTIPM-UHFFFAOYSA-N 405.568 1.672 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN1CCCO 1696867769 HOWRPADNIXSGGC-OXJNMPFZSA-N 401.490 1.572 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1COCCO1 1698247983 LCJNCFXCSCXWQZ-TWFHAPMSSA-N 419.526 1.938 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(Cl)c1 1705551016 DZSRVJWHBRIDRR-MRXNPFEDSA-N 423.926 1.382 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N(C)C 1705622228 BLQPGEOXFFCHGW-UHFFFAOYSA-N 407.478 1.509 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2snnc2C)CC1 1705641909 YPFVRBCWXFXAGI-UHFFFAOYSA-N 423.546 1.863 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccnc2-n2cccn2)CC1 1705650529 TYUQKWVFONEOQX-UHFFFAOYSA-N 418.505 1.435 30 10 HDEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCNS(C)(=O)=O)CC1 1705770894 YIUGBCZAZAAYLK-UHFFFAOYSA-N 419.551 1.778 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1705830337 NCAMIVWAWVLVSY-GOSISDBHSA-N 423.583 1.305 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Cn2cncn2)CC1 1705899968 LWDXVPQOTVOSIL-UHFFFAOYSA-N 407.482 1.150 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccs2)C1 1705925562 QRCCJQTZDIQJPA-LSDHHAIUSA-N 423.564 1.661 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1710908902 CGICUASHFPCBMQ-OLILMLBXSA-N 415.519 1.581 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722329479 GWWFRMOSKBCHEC-GOSISDBHSA-N 421.505 1.829 30 10 HDEE C#CCCCn1c(N2CCN(c3ncccn3)CC2)nnc1[C@]1(OCC)CCOC1 1722341024 PSTNYUIRXTZSEZ-NRFANRHFSA-N 411.510 1.460 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCS(=O)(=O)C1 1722342858 AGEWLQMCEYUXDT-NSHDSACASA-N 412.313 1.540 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1722343344 GPWFMVVFJIOLPP-RXVVDRJESA-N 404.559 1.026 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1722360818 KBJRPTFSVNEENI-ZWKOTPCHSA-N 417.535 1.782 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1722368614 TZYJYYPWRQGXLP-HLIPFELVSA-N 410.584 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)CN2CCOCC2)CC1 1722435217 HXSUKNVZMHAQMI-IBGZPJMESA-N 409.538 1.064 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1722476114 YUUQVZNEIKJUFR-VQIMIIECSA-N 422.551 1.104 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)CC1 1722530022 KSBGEAAUAWJBRC-UHFFFAOYSA-N 404.492 1.835 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOC)C1 1722719418 UANBAHRMJGUMIV-SFHVURJKSA-N 413.526 1.880 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1722863075 HOCGIQHKJOQTAW-HUUCEWRRSA-N 412.560 1.569 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1=O 1728595198 NCZYGYNEOXJTJM-QFIPXVFZSA-N 421.505 1.354 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 1729350705 DOPICEBVCNHSQR-NVXWUHKLSA-N 401.492 1.477 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC[C@@H]1COCCO1 1729408762 LBXVPRKJKXRTIP-LJQANCHMSA-N 407.478 1.992 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCO1 1731188379 JDZKCJDMNROJQJ-DLBZAZTESA-N 405.524 1.655 30 10 HDEE C#CCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740597193 KHFKESMBBATSHS-LPHOPBHVSA-N 410.540 1.355 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](COC)OC 1740615206 VTNGDNPZHXQUEK-XHSDSOJGSA-N 407.515 1.780 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1740647548 QHUCETOOLAKYDA-UHFFFAOYSA-N 411.893 1.920 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740714929 OTFKKPCXWSEWPG-CABCVRRESA-N 407.565 1.964 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(CC)CCS(C)(=O)=O 1740956415 RLWCYISECCNYJA-UHFFFAOYSA-N 405.524 1.427 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@H](SCC)C1 1740958654 SKDREAGTHGNTDB-LSDHHAIUSA-N 406.556 1.643 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCn2nc(C)cc2C)C1 1740980329 OVTUDUUQKGROOV-QZTJIDSGSA-N 413.526 1.914 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1741176296 ZTHCDEMDNZPPCF-KRWDZBQOSA-N 412.494 1.830 30 10 HDEE Cc1ccoc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1742082008 AWAJSSCKEOIKTO-CQSZACIVSA-N 412.475 1.948 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1748804919 FOAZBHBXDBJGOW-LIRRHRJNSA-N 402.405 1.867 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748820606 FNQQUMFURCWNNU-GOSISDBHSA-N 405.568 1.343 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1748855477 BCSKTEXZSHVWTP-FQEVSTJZSA-N 413.503 1.148 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC=CO2)CC1 1748978560 MQCGWMODGCSVIG-NQIIRXRSSA-N 401.511 1.378 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOCC)CC1 1748979922 SPODQUFBVKHGIW-UHFFFAOYSA-N 417.535 1.140 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1749019871 DYPXPTAJRVCEGD-IAGOWNOFSA-N 402.568 1.553 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCOCC1 1749073532 SRPFFLORGQFLPR-PGRDOPGGSA-N 414.554 1.361 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCNC2=O)CC1 1749406983 RNCOHLNDRGZJGT-UHFFFAOYSA-N 415.542 1.751 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749452085 NLOOVMBONIDNIT-UHFFFAOYSA-N 413.526 1.143 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@H](C)O1 1749554235 CCFABDUKRAEWFA-KXBFYZLASA-N 424.505 1.583 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCN(C)CC1 1750260552 FXCWXNDHWKZYIA-KBXCAEBGSA-N 421.546 1.499 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCCC2=O)CCO1 1750385970 FDZGOOYYLFHVEA-QZTJIDSGSA-N 416.526 1.694 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1750596711 FCKZMEIZYSWVHV-FGTMMUONSA-N 404.515 1.215 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1751090088 WFBARALQYFAWCV-ROUUACIJSA-N 417.558 1.489 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](F)COC)c1 1760125456 IEKFYRZFOIZCJD-INIZCTEOSA-N 423.452 1.776 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1760181057 PAIMMHKZSAVDBO-FXUDXRNXSA-N 414.503 1.159 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1760225376 OMBTUSJEGDVQJH-OAHLLOKOSA-N 423.514 1.908 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1760237724 SMDBYBUNOXQADG-UHFFFAOYSA-N 416.551 1.451 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCOCC1 1760247806 PWHGWNVFVMFQPG-GOSISDBHSA-N 412.538 1.703 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1760464962 SSHXBMOFGXTMJO-KRWDZBQOSA-N 423.514 1.615 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760526353 LSLNMVLLPFTGIZ-ZIAGYGMSSA-N 418.523 1.185 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1760543363 RVGQKDNXERXXKJ-DOTOQJQBSA-N 409.556 1.608 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760678092 ZWDOPZDOAHZEIZ-LJQANCHMSA-N 421.505 1.544 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCS(C)(=O)=O)CCOC1 1761275135 SQTVYLIHHMJIOJ-YJBOKZPZSA-N 413.544 1.492 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2nccs2)C1 1772567204 NRWHUNVNTXTJDJ-CABCVRRESA-N 418.523 1.856 30 10 HDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)ON1C(=O)c2ccccc2C1=O 1772789542 AWZKQUGMDNSGJC-UHFFFAOYSA-N 411.414 1.358 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1850124161 NFQRYCMXULVPOV-HXUWFJFHSA-N 403.548 1.835 30 10 HDEE C=CCN(C(=O)c1cn2cc(I)ccc2n1)[C@H]1CCN(C)C1=O 1851402654 MOGNQLMPVJWDQT-ZDUSSCGKSA-N 424.242 1.798 30 10 HDEE CS(=O)(=O)N1CCN(c2ccccc2OCC(=O)Nc2ccccc2C#N)CC1 1852059904 NGYQKPMTPREQAW-UHFFFAOYSA-N 414.487 1.657 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)c1C#N 1852381165 KZXMIVTUHQNDLC-HNNXBMFYSA-N 409.368 1.922 30 10 HDEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854032789 OYMORJUURQHIPS-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE CC(C)N1CC[C@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C23CCCC3)C1=O 1854038375 PMBGLPITUXQKDP-SFHVURJKSA-N 409.490 1.560 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CCC[C@H](N(C)CCC#N)C3=O)ccc2=O)cc1 1854269953 UJRHYJRAAATIAH-IBGZPJMESA-N 407.474 1.577 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCC(Oc4ncccn4)CC3)C2=O)cc1 1854553892 ZZEDBYUWDSZHJV-IBGZPJMESA-N 405.458 1.562 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CC(c4nnc5ccccn45)C3)CC2=O)ccn1 1856700248 LFRKNNQJDVRWPS-AWEZNQCLSA-N 401.430 1.084 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2c(C)nn(C)c2C)C1)[C@H]1CCN(C)C1=O 1857076645 MMFCFTLCNMQUJB-IRXDYDNUSA-N 401.511 1.134 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(Cc3ccccc3)C[C@@]23CCOC3)CCC1=O 1857195899 KQHOISLKGYLZNE-NFBKMPQASA-N 410.518 1.642 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c3c(nn2CC)CCC3)C1)[C@H]1CCN(C)C1=O 1857264604 ZESLQDQQAOUHDS-QAPCUYQASA-N 413.522 1.099 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)cc1 1857432521 HGZZCZNDXYHZNR-ZWKOTPCHSA-N 409.421 1.772 30 10 HDEE COc1ncccc1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1857503806 NLHQIMPUFVNXNI-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099647 PYRSMKWPKQGAAU-UHFFFAOYSA-N 422.386 1.663 30 10 HDEE N#Cc1nnn(-c2ccc(I)cc2)c1NC(=O)c1cnccn1 1870158917 WAHMVHGNFUNBJW-UHFFFAOYSA-N 417.170 1.786 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CC3CCOCC3)CC2)CC1 1889305764 FUBIVPPKXPXURX-UHFFFAOYSA-N 405.583 1.840 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](COc3ccc4nncn4n3)C2)cs1 1890804405 FSENBAXPDRBWEF-LBPRGKRZSA-N 413.463 1.038 30 10 HDEE C[C@H](C(=O)NCc1ccccc1)S(=O)(=O)OCCN1C(=O)c2ccccc2C1=O 1923708535 KWRMJPZHMQHBCT-CQSZACIVSA-N 416.455 1.334 30 10 HDEE C[C@@H](C[S@@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 2118166542 JXZYJRKXJHXRGK-UOXLDJKESA-N 408.546 1.478 30 10 HDEE N#CC1(CS(=O)(=O)Nc2ccc(I)cn2)CCOCC1 2166365737 HZFYIFGJIIKJSA-UHFFFAOYSA-N 407.233 1.748 30 10 HDEE N#Cc1ccc(N2CCN([C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3O)CC2)nc1 2195973083 XQRSARIKPQDUPT-PMACEKPBSA-N 407.474 1.457 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384104 KBIUFTZXPOSKNO-VXGBXAGGSA-N 408.308 1.740 30 10 HDEE Cn1nc(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247920967 GZPBDNSSMKXMNF-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)NCCC#CBr)C1 2250134888 AQNBISPQHWKXPL-AWEZNQCLSA-N 400.317 1.932 30 10 HDEE Cn1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)c(B2OC(C)(C)C(C)(C)O2)n1 2255610181 MQYUIMBSBCCXEQ-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CSCCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267473299 CMTSDXRGAYAAER-UHFFFAOYSA-N 406.404 1.957 30 10 HDEE C#CC(CO)(CO)NC(=O)c1cc(Cl)cc(Cl)c1I 2274536203 NGBKDWZFJOYMAL-UHFFFAOYSA-N 414.026 1.684 30 10 HDEE COCC[S@](=O)CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282124382 IADVXTUTBRQCHK-AREMUKBSSA-N 401.359 1.481 30 10 HDEE CCCNC(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282305248 WBZPOVXYWNWVFT-UHFFFAOYSA-N 422.765 1.505 30 10 HDEE CN(C[C@@H]1OCC[C@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337866 JYNQLRYIWANCJK-NEPJUHHUSA-N 405.322 1.795 30 10 HDEE C[C@@H]1CC[C@](O)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282353843 YFEIPUZWPBYDNB-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282520920 VYXYQMZJFAQTRS-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](F)[C@H](O)C3)c(Cl)c2)OC1(C)C 2282831553 AOIDXXFOKROKTO-QWHCGFSZSA-N 405.684 1.343 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282841293 NHKDDZZYOVANKI-UHFFFAOYSA-N 402.347 1.064 30 10 HDEE COC[C@@](C)(CO)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850040 KITJKSXHVLWRMQ-MRXNPFEDSA-N 405.347 1.065 30 10 HDEE CC1(C)CNC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852175 LSDASGHEBYEJCB-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H](C)CO 2282870798 XSPZTEYLXDOEGB-RYUDHWBXSA-N 403.737 1.934 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CC2(N)CC2)c1B1OC(C)(C)C(C)(C)O1 2282871545 IXHGPWXNGLJCCS-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)c2cccnc2C#N)cs1 2286719872 DSNPNDXXYGXSCT-UHFFFAOYSA-N 409.493 1.913 30 10 HDEE CCOc1cc(C=Nn2c(S)nnc2CNC(C)=O)cc(Br)c1O 2321940465 DHHVFPCWTHSINP-UHFFFAOYSA-N 414.285 1.952 30 10 HDEE COC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2361733484 NZNUOJVFGJXFKO-VIFPVBQESA-N 415.264 1.903 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365204844 OZIJOJXICWFJTH-ARFHVFGLSA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2367797130 TWQYCCQZCGRFEW-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1C 2367822099 ZVGMKWSZSWFDKU-SPYBWZPUSA-N 400.541 1.163 30 10 HDEE Cc1scc(C(=O)NCCS(=O)(=O)C(F)F)c1B1OC(C)(C)C(C)(C)O1 2369524560 PCEVNRACZKTTTL-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H](Oc3nccnc3C#N)C2)cc1 219985082 FAZAHYRHCQRDRF-ZDUSSCGKSA-N 403.420 1.369 30 10 HDEE CCn1c(NN=Cc2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C 254319259 WRJGTYQBFQVWME-UHFFFAOYSA-N 405.256 1.662 30 10 HDEE N#Cc1cccnc1N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1 301091005 NKCMJQLBYXPDDH-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409824953 VTXGAVRXYYQQEE-CYBMUJFWSA-N 403.284 1.818 30 10 HDEE C=CC[C@@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 410069684 GGUGCLZPMWIBFC-UWJYYQICSA-N 407.470 1.553 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)[C@H]3CCO[C@@H]3C)c(C#N)c2N)cc1 442766063 VZCHZNOPZLAHEO-KDOFPFPSSA-N 403.508 1.664 30 10 HDEE N#Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1O 443060658 PMBOHBDNOVCWAD-UHFFFAOYSA-N 403.416 1.243 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)NS(=O)(=O)c1cnn(C)c1 445970044 WDQSMGRHWWTOPZ-CYBMUJFWSA-N 407.452 1.210 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 460793906 MPSGYXARJQBNDV-ULQDDVLXSA-N 407.515 1.310 30 10 HDEE COC(C)(C)C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466091710 JZIBHAKMEURRMX-HNNXBMFYSA-N 408.524 1.778 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)n1cnc(C#N)n1 466948271 FTNRLXWRJBTIME-VIFPVBQESA-N 402.358 1.190 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(C)=O)c2ccccc2OCC)CC1 476788069 JHYCJRIRXVDHSR-LJQANCHMSA-N 416.522 1.099 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(F)cn2)CC1 479585525 KIETXYRVGYWJKD-UHFFFAOYSA-N 403.439 1.308 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@H]2CCCN(CC#N)C2)cc1 479871507 IVEIDKCLPNMSQZ-QGZVFWFLSA-N 422.551 1.448 30 10 HDEE Cc1ccc(S(N)(=O)=O)c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c1 482546738 BWJSBLNKWLLAFG-UHFFFAOYSA-N 412.515 1.931 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 485050925 IXWRTGSUIZHHEO-OAQYLSRUSA-N 417.462 1.318 30 10 HDEE C=CCCOCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 508253920 UONPDRZQGYWVEA-SFHVURJKSA-N 418.542 1.144 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 508906642 HMJFWQADMIMRHQ-QGZVFWFLSA-N 400.439 1.787 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)CC1 521312661 DFFHFBHJKFYASI-UHFFFAOYSA-N 404.536 1.264 30 10 HDEE COC(=O)[C@@]1(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CCSC1 535372225 DPYQUIKFMIFWSD-CYBMUJFWSA-N 405.295 1.648 30 10 HDEE Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C#N)c(C(F)(F)F)c3)CC2)n[nH]1 543171033 RMIRSFVAHMOAFA-UHFFFAOYSA-N 414.413 1.510 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)CC2 546195999 AUQAJCCCTHAVJF-UHFFFAOYSA-N 421.501 1.677 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCSCc2ccccc2C#N)C1 553686179 ZXXNCHVCPKZYEH-KRWDZBQOSA-N 410.565 1.857 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2 560068497 YSEHPRHRIALZJK-UHFFFAOYSA-N 409.464 1.352 30 10 HDEE C[C@H]1CN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CCN1c1nccn2cnnc12 560599627 QRLBAMUSMDHLDT-AWEZNQCLSA-N 405.437 1.904 30 10 HDEE C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)n1 564270521 JFRMKFXEFMDEGS-UHFFFAOYSA-N 419.507 1.432 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 572382400 VCLNZWHLPJDABB-ZIAGYGMSSA-N 401.558 1.129 30 10 HDEE COc1cc(CNC(=O)N2CCN([C@H](C(N)=O)c3ccccc3)CC2)ccc1C#N 580925710 YAIXTBSNIXWTHU-FQEVSTJZSA-N 407.474 1.621 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 589455548 XDINPXJHRCHQOL-GOSISDBHSA-N 401.444 1.142 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cnc3c(c2)c(O)nc(=O)n3C2CC2)CC1 603080058 ATFCDIXLGJMNPA-UHFFFAOYSA-N 417.429 1.061 30 10 HDEE CC(C)(CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)NS(C)(=O)=O 615062557 ADJDDBGGDMOYRZ-UHFFFAOYSA-N 409.512 1.270 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]1c1cncn1C 619433327 MNLISCQLMUGTLB-DBXWQHBBSA-N 414.554 1.802 30 10 HDEE COc1ccc(COC[C@@H](O)CN2CCN(c3ncccc3C#N)CC2)cc1OC 619558666 SGOQQHNIMNMPHQ-IBGZPJMESA-N 412.490 1.670 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619712969 CSNLIRYTJUKTPK-RDJZCZTQSA-N 414.553 1.619 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Oc2c(N)cc(C#N)cc2I)C1 689942254 QMZDOEMMKHCMPJ-SECBINFHSA-N 407.233 1.158 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729332232 LHIZQUUIOMXRJQ-FUHWJXTLSA-N 406.479 1.327 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)OCC(F)(F)F)cc1 732067002 XSVXIJYFJHUFKO-LBPRGKRZSA-N 416.381 1.687 30 10 HDEE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCN/C(O)=C1/N=CC=CC1=O 732156526 PFOIRFCXVSKFFI-NXVVXOECSA-N 407.352 1.698 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732465650 HLDZQGOMEDXZET-HNENSFHCSA-N 412.425 1.055 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 735876435 HLOIXIBQFJECHS-RDJZCZTQSA-N 424.542 1.193 30 10 HDEE CS(=O)(=O)[C@@H]1CCCC1=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1 741455053 KKDUJAPTXBUBNY-OAHLLOKOSA-N 400.526 1.621 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 743178294 FMTAJMMYLIFJEA-HNNXBMFYSA-N 421.523 1.540 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2scnc2C)c1=O 743725110 DNZMAVTWYHOPHO-UHFFFAOYSA-N 422.535 1.754 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(c3nccn(C)c3=O)CC2)cc1OC 744678773 HHCDOFWORMUNIB-VURMDHGXSA-N 410.474 1.716 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746173345 CPRYAALWQGPEFK-YWMAMYRUSA-N 406.483 1.809 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2cc(C#N)cs2)cc1 747313291 GKPSBUIUNUQHJD-UHFFFAOYSA-N 403.445 1.446 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCCCN2C(=O)c3ccccc3C2=O)CCCC1 754004735 INCQMMKEROCLEF-UHFFFAOYSA-N 417.487 1.983 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)N(CCc4cccs4)C3=O)CC2)n1 760551389 LTLCYDHOMPKLDE-UHFFFAOYSA-N 424.486 1.128 30 10 HDEE N#Cc1cccc(N2CCN(Cn3nc(CO)n(-c4ccccc4)c3=S)CC2)n1 762047621 BNZUNKJBGIUOMK-UHFFFAOYSA-N 407.503 1.942 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(I)c1)[C@@H]1CCS(=O)(=O)C1 763293769 HVRILBIRGROKNK-LLVKDONJSA-N 421.231 1.693 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@H]2O 768470931 ORYRAHZMTXWFDA-YVEFUNNKSA-N 401.444 1.680 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@H]1CCOC1)c1cc[nH]n1 772518043 MVQPNCIZTFYPAD-YJBOKZPZSA-N 400.435 1.588 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 774143994 FLRLIVDGUABQQJ-KRWDZBQOSA-N 408.520 1.858 30 10 HDEE C#CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 774193655 PEGBSQRLRQMRDL-MRXNPFEDSA-N 415.556 1.854 30 10 HDEE C#CCN(C(=O)NCCOc1ncc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1 774254388 SUJUVXUXNIMUJG-LBPRGKRZSA-N 406.291 1.599 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@H]1CCCO1 776226880 HPQLYYCNLHABNI-QZTJIDSGSA-N 417.506 1.720 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC2(CC1)OCCc1ccsc12 779350695 DAVPUBPLFHUSCC-FBMGVBCBSA-N 416.503 1.848 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(CCCN2CCOCC2)CC1 780827519 HORFOFZACPAKIW-VXPUYCOJSA-N 419.526 1.047 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2=O)cc1 781047544 CJDLHGVABWHZEC-JVMRMLDLSA-N 407.430 1.086 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 783117347 CDCSJNWJGSIDMW-GOSISDBHSA-N 408.480 1.428 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nn(C)cc2C(=O)OCC)ccc1F 784099618 MYWIWFFNJVAYMY-UHFFFAOYSA-N 410.427 1.453 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1 788827230 SOZWVZVXOXFJMY-UHFFFAOYSA-N 419.463 1.142 30 10 HDEE C=CCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 790281775 BBCRENMLHQIPHC-XAIYEJPOSA-N 424.548 1.236 30 10 HDEE C[C@@H](C(=O)OCc1nnnn1-c1ccccc1Br)n1cnc(C#N)n1 798744166 HWDHMPBZQCJTSF-VIFPVBQESA-N 403.200 1.192 30 10 HDEE COc1cc(Cl)c(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc1Cl 798863326 ZCKCFGGIQSXBQD-ZETCQYMHSA-N 404.235 1.531 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H]2CCCO2)n1 802680768 ZLRKIIJQXHQLRK-OALUTQOASA-N 410.526 1.495 30 10 HDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC)[C@@H]1CCS(=O)(=O)C1 812039238 MIYKKAGVTQAKFM-PBHICJAKSA-N 402.476 1.437 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2CCNC(=O)CC2)cc1Br 816087635 GWMMIJGEAIALEX-QMMMGPOBSA-N 418.244 1.181 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](c2cnn(C)c2)C1 849506375 NEHHOOVKGZJKLN-LEWJYISDSA-N 421.549 1.849 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cc4c(cc3O)CCCC4)CC2)o1 920918036 CAKSSGYWILQPNK-UHFFFAOYSA-N 424.457 1.945 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 1084286940 LROLMUGLMGRCPQ-UHFFFAOYSA-N 400.424 1.444 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cccnc2)n1)NCc1ccc2c(c1)OCO2 1084392928 RORWUKJDFVBAFJ-UHFFFAOYSA-N 411.447 1.783 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)C3(C#N)CCSCC3)c2)CC1 1125845560 NDPRFIGIMLFHHG-UHFFFAOYSA-N 422.576 1.988 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC(CC)(CC)CNC(=O)OC(C)(C)C)C1=O 1125888341 MEAAXPKQGCWZSU-UHFFFAOYSA-N 410.471 1.163 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1COCCN1C(=O)OCc1ccccc1 1130626488 KWVFROLKSFBRNX-SFHVURJKSA-N 416.474 1.828 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 1137891712 CXICKSWXRFTWMY-MELADBBJSA-N 403.907 1.774 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](CO)[C@H]2CO)C1 1156269803 NIUKODMRUDKLEF-YVEFUNNKSA-N 408.296 1.349 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCC2(CC1)CC(=O)C=CO2 1176609959 IXSSOVJXMHESOG-HNNXBMFYSA-N 421.519 1.602 30 10 HDEE CO[C@@H](CS(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)c1ccccc1 1189272087 GJZNKPBJEOIWJS-SFHVURJKSA-N 403.508 1.440 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)CC1 1192715063 JSIGMHYWJRGKNL-UHFFFAOYSA-N 403.254 1.815 30 10 HDEE COc1ncc(NC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N 1209050189 AEFTWYVZKBKEKO-MRXNPFEDSA-N 407.496 1.820 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H](C)c2cc(F)ccc2N2CCN(C)CC2)nn1 1221676278 NMDKXRQLFVIHMT-HNNXBMFYSA-N 401.490 1.915 30 10 HDEE CS(=O)(=O)Nc1cccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1222895690 HDBQDJNSEZYLNM-UHFFFAOYSA-N 413.503 1.962 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2cccc3ccccc23)CC1 1246167994 NVOYATFVJVSKCA-VQTJNVASSA-N 412.515 1.491 30 10 HDEE N#Cc1csc(CNC(=O)NCCNC(=O)c2ccc(Br)cn2)n1 1252946168 OEPCXWLFFZLKHE-UHFFFAOYSA-N 409.269 1.401 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1256115571 AITHQSARRRNYLJ-FPCVCCKLSA-N 411.524 1.359 30 10 HDEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1264635271 YEBYUYFDJSLSNJ-HMMYKYKNSA-N 420.451 1.551 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC 1286274566 OJCMSPBNCYSGQL-ZDUSSCGKSA-N 402.886 1.456 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286343495 KEUCJSNIKPKUDO-UHFFFAOYSA-N 408.506 1.829 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286382064 QEAIWYVDVLWEMH-OAHLLOKOSA-N 404.492 1.370 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1nnc(C(C)(C)C)s1 1286414651 BSLUJPVWNYDNCE-UHFFFAOYSA-N 411.535 1.671 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCn2cc(Br)cn2)CC1 1286470030 QWEBLMHRXDRFHS-UHFFFAOYSA-N 420.359 1.990 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286508975 ZKONIBOUJVPIAO-MSOLQXFVSA-N 410.547 1.593 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCCS1(=O)=O 1286767550 WNMHWUADDDGIET-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1286785310 CWPUOMOCDWRLQF-ZDUSSCGKSA-N 418.523 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC1 1286817915 QGQSJGXKEWXZLG-HNNXBMFYSA-N 424.498 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@@H](C(C)C)C1 1286818167 CMLGSOPCDGZXAZ-MRXNPFEDSA-N 422.580 1.914 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1286824407 XIONNXXJZRNEMW-WMLDXEAASA-N 412.585 1.938 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC(F)(F)C1 1288868673 CPURLPLLHITZEB-XQQFMLRXSA-N 418.470 1.052 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 1296112677 HGQFHGGWMISOQN-OJLWIZQOSA-N 410.445 1.994 30 10 HDEE CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1 1297559259 VVVBIAUNEYMRQX-GOSISDBHSA-N 407.471 1.827 30 10 HDEE Cn1cc(C(=O)N[C@@H](C#N)CO)c([C@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1297879858 GALMAWMVNRZABZ-IRXDYDNUSA-N 411.462 1.551 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1300293634 RDOAKYNYIYIGOG-IAGOWNOFSA-N 411.506 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1300311618 UPKUAYJUSAHIBT-RDJZCZTQSA-N 407.540 1.569 30 10 HDEE C#CCCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300375954 CZROHJONVGGULR-LJQANCHMSA-N 410.540 1.357 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 1300401924 UWIDPTHYSMDRIJ-RDJZCZTQSA-N 402.451 1.720 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1300468839 NGABGXOFYFRNTB-QZQOTICOSA-N 420.473 1.473 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1300488713 UTVWCMWREBSFBV-FUHWJXTLSA-N 417.535 1.638 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1300602330 QEEHQXIIWPXFQX-AWEZNQCLSA-N 419.507 1.167 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCOC2)n1Cc1nnn(C)n1 1300648872 QCTZVEKQTFWTIW-MRXNPFEDSA-N 410.457 1.523 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)CC1 1300701455 VAAWGDSVAFRNCB-INIZCTEOSA-N 417.460 1.318 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N(C)C)CC1 1300726744 PAMLRFPPSQEZJQ-QGZVFWFLSA-N 409.538 1.180 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H](O)C34CCC4)CC2)cc1 1300842586 UTAVDGRMJIWEJN-ZWKOTPCHSA-N 403.504 1.379 30 10 HDEE COC(=O)c1occc1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1300976683 NDNAVRMXZYZIKG-UHFFFAOYSA-N 405.432 1.201 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2COCCO2)CC1 1301091453 DWGJRILXMURPFH-HNNXBMFYSA-N 403.508 1.841 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301197444 TZSGQOWRYMFACR-CVEARBPZSA-N 421.571 1.657 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1301390559 JUJFVHBZLBWSCR-KRWDZBQOSA-N 424.567 1.802 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(F)cc1)C1CC1 1301498760 UBNJXBREDOJGGU-KRWDZBQOSA-N 412.469 1.840 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1)S(C)(=O)=O 1301985726 BQMOHVNFWWHRQU-CABCVRRESA-N 417.535 1.990 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)c1 1302989456 LBVOBSIEAOUZRW-UHFFFAOYSA-N 408.443 1.565 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305324881 CZWBZMCVHUPNEJ-QOKNQOGYSA-N 409.556 1.717 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1306014260 HKMZJKVISUMSEX-UHFFFAOYSA-N 403.504 1.522 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(c3cccc(C(F)(F)F)c3)CC2)c(=O)nc1O 1311853458 BFMXERYTJMJUKM-UHFFFAOYSA-N 421.379 1.870 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1ccc(Br)cc1N1CCOCC1 1312247980 DPXWKZALUYMMGA-INIZCTEOSA-N 408.296 1.829 30 10 HDEE C#C[C@H](NC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 1312939665 IJVGEYKZVQGBNI-HNNXBMFYSA-N 418.441 1.521 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CO1 1313364087 NTACBXOFGBAMPN-OAHLLOKOSA-N 402.455 1.336 30 10 HDEE CS(=O)(=O)CC1(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CC1 1316340917 ALPJZMMEOAYNMB-KRWDZBQOSA-N 405.459 1.002 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 1325205991 MJPJTPHTPULFPF-BEFAXECRSA-N 407.492 1.092 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn3c(n2)C[C@H](C)CC3)c1 1355984008 LWJPAPUXCLLKJA-QGZVFWFLSA-N 406.486 1.952 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1358961765 DWTKKSGNTMFREM-QGZVFWFLSA-N 419.551 1.231 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1C 1358985126 PXHHAPMFFCPHPY-IXDOHACOSA-N 407.540 1.024 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359132686 CECQGILZLQXDBN-IRXDYDNUSA-N 404.515 1.321 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N1CCNC(=O)[C@H]1CC)c1ccccc1 1359139672 AMZRNTDXIRBDLS-GOSISDBHSA-N 408.506 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359296392 HXHZMJDOROYAPZ-HNNXBMFYSA-N 419.489 1.462 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1359305304 ZRSLYXNEUVPYGW-HNNXBMFYSA-N 419.555 1.457 30 10 HDEE C=CCNC(=O)Cn1c(N2CCc3sccc3C2)nnc1[C@@]1(OCC)CCOC1 1359306061 UUYCPDFLKOTFED-HXUWFJFHSA-N 417.535 1.857 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(=O)NCc2ccco2)C1 1359321212 BYTDPVKJGPXSGX-RDJZCZTQSA-N 401.467 1.473 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC)C1 1359345902 UFGJBMRIFJBHNJ-HNNXBMFYSA-N 406.556 1.282 30 10 HDEE CC(=O)NCCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359461075 KVISHWQGQGRWMZ-KRWDZBQOSA-N 407.478 1.605 30 10 HDEE C=CCN(C(=O)Cc1csc(S[C@H](CC)C(N)=O)n1)[C@@H]1CCS(=O)(=O)C1 1359875106 HJSAWORDLZDRCB-CHWSQXEVSA-N 417.578 1.243 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C(=O)OC 1438403934 WHWWVUKJXHZADM-SJORKVTESA-N 418.490 1.719 30 10 HDEE O=C(CCN1C(=O)CCc2cc(F)ccc21)NCCN/C(O)=C1/N=CC=CC1=O 1443533246 BJWHWWJPQICHMP-VXPUYCOJSA-N 400.410 1.138 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)CC1 1444337980 NFTSNVZVWYWGKH-UHFFFAOYSA-N 413.337 1.942 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C#N)CCc3ccccc3)CC2)cn1C 1445603140 ADHGGYNUGFBNDN-GOSISDBHSA-N 415.519 1.334 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 1450055365 KCXRWAHWZSNCMW-RDBSUJKOSA-N 424.523 1.643 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(CCC#N)CC2)C1 1454912336 YPRZWXNOGSRKJD-UGKGYDQZSA-N 414.506 1.860 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1455679692 AJBQEJUTRBTVQH-HNNXBMFYSA-N 414.911 1.023 30 10 HDEE N#C[C@]12CN(C(=O)c3c[nH]nc3-c3cccc(OC(F)F)c3)C[C@H]1CS(=O)(=O)C2 1456615164 YKRJLKZADRPYSO-KPZWWZAWSA-N 422.413 1.688 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCCNS(=O)(=O)c1ccc(F)cc1)C2 1456736455 PZNZAKCQHNRQLP-UHFFFAOYSA-N 422.507 1.984 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1463960251 IXHLJSQCUXGWEO-NEWSRXKRSA-N 406.504 1.697 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)c1cc[nH]n1 1465060946 HLIXWDYABQIADO-LBPRGKRZSA-N 411.459 1.065 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@@]3(CCCN(Cc4ccccc4)C3)C2)c(=O)nc1O 1465581319 BIOPSGRKWZZIIW-JOCHJYFZSA-N 407.474 1.335 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](NC(N)=O)C1 1466582516 HEODSAKYNBNDMN-NVXWUHKLSA-N 413.478 1.662 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)c1 1470213389 DFXAFIPTILVRAU-LPHOPBHVSA-N 400.504 1.473 30 10 HDEE Cc1cccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1492478195 FFVJUXUNRNXFLI-SFHVURJKSA-N 420.477 1.146 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 1505315910 UGDYHEKZXPHKSU-RHSMWYFYSA-N 409.512 1.926 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCOCCCO)cc1 1505317793 PXMYKXLJRPFKQQ-MOPGFXCFSA-N 424.505 1.463 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507628213 HDKBPRZSXZYDHF-LSDHHAIUSA-N 405.549 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)CN(C)C 1507657727 YYAJLQLMXMXMTD-UHFFFAOYSA-N 412.563 1.930 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1=O 1507703352 UUKCFCJOJQSXAK-UHFFFAOYSA-N 416.526 1.003 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCN2CCCO)CC1 1507880769 NHZPSCMZBSHXOQ-KNQAVFIVSA-N 419.570 1.933 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1507941567 JDWFXVYVSNQTGH-INIZCTEOSA-N 421.509 1.979 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1508072362 PMFQZTJVNYAEAR-GJZGRUSLSA-N 413.482 1.089 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2F)C1 1508111174 WYLZEKIPMFRRAT-GOEBONIOSA-N 423.514 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCC2(O)CCOCC2)C1 1508127950 NQPKYHNBWUJDQJ-LJQANCHMSA-N 413.522 1.977 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1515940690 ZQTLQIOXAZHNSJ-QZTJIDSGSA-N 416.574 1.385 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1516606509 AFPYZRUQQJJOHZ-ZWKOTPCHSA-N 402.474 1.985 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CCO1 1521128361 CAWMLEQLNNTUDD-RDJZCZTQSA-N 419.482 1.291 30 10 HDEE CS(=O)(=O)c1cccnc1C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 1526263057 DAGZHHBRNFEKSS-UHFFFAOYSA-N 400.460 1.872 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@@H](C)COC 1538864314 DJYWTJFVSUOQFO-INIZCTEOSA-N 423.535 1.203 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCS(C)(=O)=O)c1 1539043904 WCRIKZFDTHRUPI-UHFFFAOYSA-N 403.508 1.331 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539118604 CAVNCMFZEAMVJQ-CVEARBPZSA-N 402.524 1.321 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539119965 PQOFKZBWSLTICT-IBGZPJMESA-N 411.554 1.868 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCOCC2)nc1 1539253765 ZJPCKHARQVZZMB-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(OC)nc1OC 1539408032 YMOHQTVXVAIYTD-UHFFFAOYSA-N 408.462 1.887 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1539445811 GXZNWYGCVOPYIV-XMTFNYHQSA-N 400.527 1.188 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCOc2ncccc2Cl)CC1 1539462399 FWACNHZKDRXBHW-UHFFFAOYSA-N 404.902 1.697 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](OCCOC)C1 1539612797 QDGROOXGYZFZRL-KSZLIROESA-N 421.542 1.639 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539757884 CBVNBRNQTRGORY-UHFFFAOYSA-N 402.499 1.344 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2OCCC(N)=O)c1 1541075401 GQXTWFPLJBPUNM-UHFFFAOYSA-N 405.407 1.629 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1552812940 OPWODWRGXUHDRH-SJORKVTESA-N 404.515 1.012 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CCO1 1555994744 YWUBNIPRWJSMTF-DJJJIMSYSA-N 421.473 1.744 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1556131891 ZGHNIRSHDCQISM-UHFFFAOYSA-N 405.501 1.700 30 10 HDEE CN(C)CCN(C)CCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1556897202 GJNXIVSNEOKEKT-INIZCTEOSA-N 405.930 1.564 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)cc1C#N 1557741984 BIFCZEUNLOIWQW-ZIAGYGMSSA-N 410.521 1.504 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(CC)cc(CC)cc2CC)CC1 1561667776 FRWLDTNIKRMOTF-UHFFFAOYSA-N 405.564 1.430 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)NCC2(C#N)CCOCC2)C1=O 1564260975 FBRRTIOXZMUTGH-ZDUSSCGKSA-N 406.464 1.260 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1565265775 WWEQFBVFTQWTEE-NRFANRHFSA-N 402.514 1.767 30 10 HDEE COC(=O)c1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1567979561 CXGSRIGIEGMQNX-GFCCVEGCSA-N 416.459 1.002 30 10 HDEE C=CCOC[C@@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)C(=O)OC 1568154767 RANGKMFRHZLTTN-GOSISDBHSA-N 409.914 1.713 30 10 HDEE CC[C@@H](COCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1569529536 OHHBTOVHQSNXDW-ZDUSSCGKSA-N 407.414 1.966 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1584868269 FYJQSYFDGIVRGK-CZUORRHYSA-N 408.476 1.293 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2c(C(F)(F)F)cnn2C)c1 1585692731 KUCBRJGOFUBNBG-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CCN1Cc1ccccc1 1585916718 LBMXQVNZZGDAFN-GOSISDBHSA-N 404.430 1.116 30 10 HDEE C[C@@]1(C2CC2)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1586135657 WPFBINNORITVHB-NRFANRHFSA-N 417.531 1.986 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)CC1 1587765566 IDOMYHDTUFVWIK-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1588006851 RQMZDWPNQYBAFI-UHFFFAOYSA-N 402.520 1.072 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588034187 BNIWWZQYHWIXIN-DOTOQJQBSA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588074688 PSHQBEFDFMNLEP-BRWVUGGUSA-N 408.524 1.181 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H]1CN(CC(C)C)CCO1 1588149333 NYYZFTSZTCCEJX-NRFANRHFSA-N 406.534 1.694 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CSCCS2)CC1 1588811666 LSMITCGGBCRDAF-SJORKVTESA-N 407.609 1.776 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](COC)C1 1589528213 DIYMQNZMMPIZNK-NUJGCVRESA-N 400.483 1.568 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNS(=O)(=O)CC 1594949183 SKIJIVMSKGOQKA-UHFFFAOYSA-N 417.495 1.155 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1595544978 OWSUDVQLQLDGRG-MRXNPFEDSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1595593547 FYEHIHQRBWMJKC-OAQYLSRUSA-N 421.542 1.626 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CCN1C1CC1 1596810513 VHBKBWPPNRNKOU-NZSAHSFTSA-N 400.454 1.934 30 10 HDEE N#Cc1ccc(OCC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1Br 1597146889 CPQDXDCGOIAGSZ-MRXNPFEDSA-N 422.279 1.596 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)no1 1611956041 HWUQOUVSOPMZDX-APWZRJJASA-N 402.455 1.392 30 10 HDEE CC[C@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1614164944 ZDWOOGGRQLPRCW-DXQAYGFFSA-N 410.482 1.584 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)OC)CCN2C1=O 1615674985 AUYFJIZTPPXJRK-PBHICJAKSA-N 423.477 1.324 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2(N3CCCC3)CCOCC2)c1 1616654647 UFLILEHGIYXPJL-UHFFFAOYSA-N 409.483 1.498 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1cc(C)ccc1OC)CC(=O)OC(C)(C)C 1619905616 ZTJVZPANLOKVKT-UHFFFAOYSA-N 403.479 1.335 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1COCCO1 1620096619 DVJBTNGQIBRRPC-ULQDDVLXSA-N 405.499 1.548 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C1 1620152824 KJGLZDXCGJWOAH-QGZVFWFLSA-N 412.475 1.866 30 10 HDEE N#CCCN(CCC#N)C(=O)CN[C@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1620153992 YAUXHAWKVFYHAY-HNNXBMFYSA-N 407.396 1.752 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)c1 1623931304 BFQDVNCDVAPTOF-UHFFFAOYSA-N 412.514 1.123 30 10 HDEE CN(C1CCN(C(=O)c2cccc(C#N)c2Br)CC1)S(C)(=O)=O 1625873286 RAFVTDNIHXWAFU-UHFFFAOYSA-N 400.298 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 1626502810 HXIDKKQSVKBOPQ-OAQYLSRUSA-N 415.494 1.364 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC)C(=O)OC 1629617678 WTTCMJYTIHLEBY-GOSISDBHSA-N 420.421 1.786 30 10 HDEE C=CCOC[C@@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)C(=O)OC 1635158563 DZOQWTYOAZVYQA-MRXNPFEDSA-N 407.444 1.728 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2nc(-c3ccncc3)n[nH]2)CCN1Cc1ccccc1 1636253761 AWTJVIFZMLXSAX-SFHVURJKSA-N 402.462 1.786 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1637061766 AMCVEZDZLRKJMY-INIZCTEOSA-N 407.320 1.198 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@H]3CC(=O)N(C(C)(C)C)C3)CC2)c1C#N 1637113333 AVFLZNMNUGHTIW-CQSZACIVSA-N 404.540 1.802 30 10 HDEE C#CCN(CC(=O)Nc1cc(N2CCCS2(=O)=O)ccc1O)C(=O)OC(C)(C)C 1637898125 PSIDDDMBWLXZHF-UHFFFAOYSA-N 423.491 1.741 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1638656933 ZPIMHTZZSOKRRV-UHFFFAOYSA-N 409.508 1.243 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1639240820 RKSHUDCMSFILTH-HZPDHXFCSA-N 405.476 1.867 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)ccn1 1640005212 FOHJOGXUBOEZFM-UHFFFAOYSA-N 404.423 1.043 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Cl)c(Br)c3)C2)c(=O)nc1O 1640636653 KPZYQZYXMLANAW-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE Cc1ccc(C(=O)NC[C@]2(C)COc3ccccc3O2)cc1S(=O)(=O)NCC#N 1641247966 JHRDIIRKTKDKSK-HXUWFJFHSA-N 415.471 1.757 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)C1 1644638481 SCSJGLWQMNODDK-INIZCTEOSA-N 414.531 1.549 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1644843394 CRTLOARTAHQEIK-OAHLLOKOSA-N 400.435 1.469 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCn2c(=O)nc(O)c3ccccc32)CC1 1645390681 AVQNTPZIBHJJIZ-UHFFFAOYSA-N 409.471 1.774 30 10 HDEE Cn1cc([C@H]2CSCCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1647949500 VCPMPLWMGIPMKM-QGZVFWFLSA-N 419.532 1.277 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)C1 1649041952 PEURTUSRQWWSGM-LJQANCHMSA-N 419.459 1.298 30 10 HDEE C#CCC1(NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)CCOCC1 1658022417 RAGYANJKGWDEQO-UHFFFAOYSA-N 402.491 1.595 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)CC1 1659423823 YRSOYNJPRQJLFR-UHFFFAOYSA-N 409.508 1.764 30 10 HDEE CC1(c2nnc(C3CCOCC3)o2)CN(CCS(=O)(=O)c2cccc(C#N)c2)C1 1659512311 PDVVNEMKBRRKNY-UHFFFAOYSA-N 416.503 1.882 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)cc2CC1 1665104562 DDAAGEWRXOKGHC-OAQYLSRUSA-N 409.511 1.951 30 10 HDEE C#C[C@H](NC(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)c1ccccc1 1679187081 ZDTZDYAEHBMUGA-IBGZPJMESA-N 401.488 1.785 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)CC1 1683989366 CXLYXLBNBLMQAY-MRXNPFEDSA-N 407.511 1.715 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1689861320 SUKAVORFGMOUEE-HNNXBMFYSA-N 418.592 1.776 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1690000163 UELXFWRTEWGQLN-HZPDHXFCSA-N 415.519 1.063 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1nncn1-c1ccccc1 1690022957 ZVEWCJHDFLNKEW-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC)[C@H](C)C1 1690246553 VMACZYGEYHLZMK-MTNOOBJLSA-N 402.543 1.741 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1690592623 DETBESNTUVSFLV-INIZCTEOSA-N 410.526 1.968 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690665526 HAQYMQZVWCITHZ-HZPDHXFCSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1690677173 QFSJSUGOLYNDIA-LAUBAEHRSA-N 421.542 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCOC[C@@H]1C 1690725318 MGHRLFWBIXPFBU-HNNXBMFYSA-N 408.499 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2CCC[C@H]21 1690731877 SFRZQVUTNKIERS-FJIDUMEYSA-N 424.567 1.982 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCO 1691003718 KWOXEGNFHBQKDE-YJBOKZPZSA-N 401.467 1.785 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1705570088 KBCXWODGLOQQMF-ZIAGYGMSSA-N 400.595 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1nnc2n1CCCCC2 1705580507 LBNKLVMEUACUSS-UHFFFAOYSA-N 401.478 1.369 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705610921 JXPHSTCXCBCIMS-IRXDYDNUSA-N 423.500 1.541 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705661816 JOCLVGCRDNJESU-YJBOKZPZSA-N 410.565 1.163 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C 1705674863 SPAGCWPUQZQCQB-GQIGUUNPSA-N 421.567 1.649 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)CC1 1705694232 POWKJGFFQZXQTR-HZPDHXFCSA-N 404.515 1.099 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705751129 AUQPZQRCEGHGKO-UHFFFAOYSA-N 424.896 1.913 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(NC(C)=O)CC1 1705905141 LAQHSBXUGSAWPA-UHFFFAOYSA-N 414.485 1.415 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)nnc1C(C)(C)C 1705908339 NXIJQPNZLMWKNV-JKSUJKDBSA-N 420.558 1.245 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1705908811 VXQBGAYBWJPQOE-CYBMUJFWSA-N 404.437 1.190 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1705959840 GOWWCYFBEXYWRT-QGZVFWFLSA-N 419.493 1.298 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCC2)CCOC1 1706678149 CQRXUVFGTOXDLS-UZLBHIALSA-N 405.499 1.353 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(CCOC)CC1 1708756606 FJYOVQKTELYVKI-MRXNPFEDSA-N 404.515 1.742 30 10 HDEE CCS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1710903150 JGQCKZWJQYLTGI-QGZVFWFLSA-N 418.523 1.577 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C1CC1 1712633790 YIAAXEGJEUETRL-IRXDYDNUSA-N 402.499 1.268 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)N(C)C 1712639968 QSJJDEJXVSVCST-QOKNQOGYSA-N 408.478 1.312 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1COc2ccccc2O1 1722373266 GNRWGGGJNVQYPO-FDDCHVKYSA-N 422.485 1.843 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1722404697 DMYSRSWOFRBCQN-HXUWFJFHSA-N 402.499 1.966 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722439920 UQHAATLAWNLPAI-QGZVFWFLSA-N 412.563 1.600 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncccc2C)CC1 1722447279 HBTLYXROJGNAJO-SFHVURJKSA-N 408.506 1.500 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CC1 1722518045 SRWXFTPDKDRJDE-CQSZACIVSA-N 416.569 1.160 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)CC1 1722573070 NLWADFZAMJWZFB-UHFFFAOYSA-N 418.523 1.763 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(CS(C)(=O)=O)CC2)C1 1722712088 LGXOIIPRASPYHR-HNNXBMFYSA-N 418.523 1.341 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722731975 ORKNBMDKQLVRNW-UHFFFAOYSA-N 424.549 1.944 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1723019036 HGMLRVVSIKQHLW-BCOMRZATSA-N 414.535 1.676 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1723092382 BVIKMMNNJCBZHX-QGZVFWFLSA-N 400.458 1.509 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H](C)CN1CCCC1 1723866815 HCTXNCZJDMXYGL-OAGGEKHMSA-N 411.576 1.359 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1729350846 FRLFQGCDRGAHOC-QGZVFWFLSA-N 400.508 1.839 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1729352093 PXFLPYOOYRPQGT-KRWDZBQOSA-N 403.508 1.603 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730486962 FDUXQHGXMGJWMM-BBRMVZONSA-N 416.457 1.692 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)C[C@H]1C 1740591312 NVHWDJQDBPESCU-QGZVFWFLSA-N 422.537 1.532 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc([C@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740623185 PRSKWLJRPFWGON-HNAYVOBHSA-N 414.531 1.884 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1740628154 VSWFNCFXKXTSOW-AWEZNQCLSA-N 408.553 1.312 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(F)cc1 1740630493 IWDGHGZXSLPCOX-CVEARBPZSA-N 417.510 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(OC)C1CC1 1740636065 USKGCAQZLCUSMY-QFIPXVFZSA-N 416.489 1.809 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740669302 VAOLWQKQHJXGFY-FQEVSTJZSA-N 413.503 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)on1 1740679523 BNNQXKCMRFLXPB-HXUWFJFHSA-N 403.483 1.749 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@@H]2C)CC1 1740693097 TXZYAXIXLOYTTO-SIKLNZKXSA-N 416.570 1.170 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1740916590 RPFDNFJCOBGJTF-QZTJIDSGSA-N 419.489 1.572 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1740955659 BTNHVPUFOQZWAE-KRWDZBQOSA-N 410.522 1.930 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nncn1-c1ccccc1 1748771177 IIYWHHXPNCQBEK-OAQYLSRUSA-N 407.478 1.629 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1SC 1748772020 MIKNIQIDDANEFK-GFCCVEGCSA-N 411.528 1.867 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1CCCN1CCCO 1748773779 FXJRZUWTEYUZGK-HNNXBMFYSA-N 421.343 1.952 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1749010754 WPVQHNVXYWHYOT-KRWDZBQOSA-N 422.489 1.651 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCS(C)(=O)=O 1749127536 NBJXBRYJQFGYPX-DOTOQJQBSA-N 422.555 1.531 30 10 HDEE COC[C@H](F)Cn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749375562 ZURBTICWWDRIDC-MRXNPFEDSA-N 418.521 1.701 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1749605857 FGZMLOBYYBTOAY-VBKZILBWSA-N 400.483 1.304 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1749634715 IDSUJKGPMPBTOY-HNNXBMFYSA-N 424.596 1.928 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCN2CCCO)C1 1750179064 AMNCOXPUTXZWTL-UXHICEINSA-N 410.522 1.889 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](n4cncn4)C3)n2CCOCCCO)cc1 1750382689 JFZFNSQZXRUPGD-IBGZPJMESA-N 422.493 1.649 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1760144288 KJFMZZHUBREQSZ-UHFFFAOYSA-N 416.555 1.570 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1760171508 CZVQMGBRUSHSGR-LVIWNVNYSA-N 417.554 1.859 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760185447 XDUBOXBKBNJHPK-WMZOPIPTSA-N 417.535 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCS(C)(=O)=O 1760201061 ZPHVXNUVLWMGQA-UHFFFAOYSA-N 422.514 1.638 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cnn(C)c1 1760289534 QAQRYIOXQAQQIM-HNAYVOBHSA-N 419.555 1.247 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1760472924 HQVXCHOWYHBDTL-ZWKOTPCHSA-N 402.543 1.741 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCS(=O)CC1 1760516006 UTNWWGMEAOSVOT-QGZVFWFLSA-N 401.536 1.691 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760522132 MGOLSZXIFSQRGB-OAQYLSRUSA-N 404.559 1.470 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CCCO)CC1 1760525995 ZYJNEZJNEVLBSF-UHFFFAOYSA-N 418.567 1.925 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1760557762 VUHUWKYNPQCLNE-UHFFFAOYSA-N 417.491 1.166 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1762913179 OONJHBMBWZLEOF-IAGOWNOFSA-N 424.571 1.411 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC(=O)N1C 1763089441 LGONWKNGABDKEA-QGZVFWFLSA-N 405.506 1.746 30 10 HDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1766965933 YZCNCHCEWLNNRX-HMWBCQRISA-N 411.466 1.035 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1CC1(O)CCOCC1 1769846664 BZZVVMHPCAQZHL-UHFFFAOYSA-N 400.483 1.172 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCC(=O)N1CCOCC1 1770385819 CCIITEDGSGLTDT-MRXNPFEDSA-N 412.494 1.941 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)C1 1770727050 BTPXCCYBKXQQAQ-SFHVURJKSA-N 419.848 1.294 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(O)(C(F)(F)F)CC2)o1 1771533272 FQKNAMOCPLVOTA-CYBMUJFWSA-N 424.383 1.636 30 10 HDEE CN(C(=O)c1cc(-c2ccc3c(c2)OCO3)on1)C1CN(c2nccnc2C#N)C1 1849871226 IDCXQBMJHVHABF-UHFFFAOYSA-N 404.386 1.693 30 10 HDEE N#CCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850843810 KZKOOGHLCRQOTM-UHFFFAOYSA-N 402.879 1.205 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C[C@H](c1ccc2c(c1)OCO2)n1c(C)ccc1C 1852528019 MGESAMZAXWDROQ-GOSISDBHSA-N 416.499 1.977 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2[nH][nH]c3cccc(I)c23)CC1=O 1853012087 XFPJRDRUXBAUQM-VIFPVBQESA-N 410.215 1.562 30 10 HDEE C=CCN[C@@H](C)[C@@H]1CCN(C(=O)Cn2c(=O)c3oc4ccccc4c3n(C)c2=O)C1 1853539867 NRQOLDDXUCMUGS-LSDHHAIUSA-N 410.474 1.459 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CCC[C@@H](N4CCC(C#N)CC4)C3=O)cc2)C1=O 1853688435 XKYZKJMIZZVHGT-LJQANCHMSA-N 409.490 1.925 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c1 1853845726 XDYKCOKCPMFDHP-UHFFFAOYSA-N 407.426 1.743 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC[C@@H]2CS(=O)(=O)c2ccccc2)C1=O 1853991614 MGJDVQJCCGYHSM-SJLPKXTDSA-N 403.504 1.746 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CCN1CCCC#N 1854282040 ZRFCPRXVBHUCPY-LSDHHAIUSA-N 408.499 1.721 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)c3ccncc3F)C2=O)C1 1854881333 DZWIBNZDXWJMIK-GOSISDBHSA-N 409.421 1.772 30 10 HDEE CN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)CC1=O 1855081932 VSEYQCFARVOCKM-ROUUACIJSA-N 409.490 1.129 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(N4CCOCC4)nn3)C2)CC1 1855204477 GEUMUZAVUXTHDL-SFHVURJKSA-N 413.522 1.734 30 10 HDEE CCCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855844008 DGFDSCOQRHQVDV-KRWDZBQOSA-N 418.519 1.182 30 10 HDEE C=CCCN1C[C@@H](C)C(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1856034785 YPKZUJVEZUYEPR-MRXNPFEDSA-N 423.535 1.486 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856531445 IENAKFUKVIRTCI-YJBOKZPZSA-N 404.474 1.849 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCc4ccc(Cl)cc4C3)C2=O)CC1=O 1856565845 IGBVWYNMAXJLEO-SJLPKXTDSA-N 401.894 1.860 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)C2CC3(CC(=O)C3)C2)C1)[C@@H]1CCN(C)C1=O 1857074515 KQECUUMNNPFINY-MAUKXSAKSA-N 401.507 1.230 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857153289 HVRYHBLSENFIBQ-MRXNPFEDSA-N 400.479 1.366 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857265252 TYLOBCRTFHFMTO-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE CC(C)c1nccn1CC1CN(C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857269222 BIXRPLVAVZDTOB-MRXNPFEDSA-N 406.490 1.894 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@H]1CCN(C)C1=O 1857270443 MCHHPLNJYRKDRR-CVEARBPZSA-N 402.495 1.581 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccnc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857299810 URUQMTNCTUKBQP-QAPCUYQASA-N 407.474 1.337 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2cccnc2)CCN1CC(=O)c1ccc(C#N)cc1 1857494225 DDNNMHNOUSPUHL-UHFFFAOYSA-N 406.442 1.664 30 10 HDEE Cc1nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)nc(O)c1C 1859430737 FQSDAFRYIURAJL-UHFFFAOYSA-N 412.519 1.982 30 10 HDEE CCOC(=O)CN(C)C(=O)CNC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868782215 FCNGVSUBBPXUQE-OAHLLOKOSA-N 406.508 1.162 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873593702 UTADXVDPITTZNI-IYBDPMFKSA-N 400.527 1.912 30 10 HDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1891725460 OIOCNTODBSEVGQ-UHFFFAOYSA-N 416.459 1.599 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987168833 KIZJQHZOWYSIAA-LSDHHAIUSA-N 423.510 1.486 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CC#N)C1 2046024207 YPKDKDWGNLFDGI-AUUYWEPGSA-N 407.467 1.966 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)COC1 2118169789 YLUJAJJTXMOHRV-UHFFFAOYSA-N 401.872 1.784 30 10 HDEE N#Cc1cccc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c1 2118170041 ZYZXCDSUMDYFIE-RTBURBONSA-N 415.471 1.920 30 10 HDEE N#Cc1c(Br)cccc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118194113 IPTGOJGCINYASM-BDAKNGLRSA-N 419.201 1.679 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)C1 2243262516 WZPKVPVFYQBVHS-UHFFFAOYSA-N 423.510 1.391 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548170 LJEJYRDNFKYMDZ-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE C=CCCSCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2249441102 SXUFULLKZRRNQM-HNNXBMFYSA-N 416.521 1.595 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)N4)cc2Cl)OC1(C)C 2267704215 KAAYLTNGLBROHA-AOOOYVTPSA-N 404.750 1.436 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2281932678 PATABGALYYBNSA-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282306101 IRCUDUMOPJUDFZ-LLVKDONJSA-N 422.765 1.489 30 10 HDEE C[C@@H]1C[C@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505653 HEQMKBIKHVYDPF-OCCSQVGLSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3cnns3)c(Cl)c2)OC1(C)C 2282828079 IHTRIPLTIDDIGP-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CNC[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282832966 DSYVURGZTZGJEB-CYBMUJFWSA-N 400.375 1.586 30 10 HDEE CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857567 JWMHODGUXKIPGN-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2(O)CSC2)OC1(C)C 2282906837 HHPRKYZSOPWVEN-UHFFFAOYSA-N 419.761 1.395 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(C(=O)O)C3)c(Cl)c2)OC1(C)C 2284395548 MQBOXLAYSOEZIC-UHFFFAOYSA-N 401.677 1.344 30 10 HDEE CC[C@@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400494 AMTNLHRKRHSVES-LLVKDONJSA-N 403.331 1.806 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284409422 JDBXKSISCHSTBM-LLVKDONJSA-N 403.331 1.887 30 10 HDEE COCCN(C[C@@H](C)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2288012115 ZYDURSGZCGKIQY-GFCCVEGCSA-N 405.347 1.065 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2ccccn2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296160536 XRXOCKPTTVOCLB-KRWDZBQOSA-N 413.386 1.420 30 10 HDEE C=CCC1(O)CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316814052 WRVAZKHZMWSDCY-UHFFFAOYSA-N 406.504 1.796 30 10 HDEE C=C[C@]1(CO)COCCN1[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2346455297 AQQYXWDDVGOLFB-SFTDATJTSA-N 404.463 1.492 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCSCCO)ccc2Cl)OC1(C)C 2360783534 XLIBENJZEKQKHE-UHFFFAOYSA-N 421.777 1.643 30 10 HDEE N[C@H](C#Cc1ccn(C2CC2)n1)[C@H](O)c1ncc(I)s1 2365975791 MUHNJTMISNXAPD-PWSUYJOCSA-N 400.245 1.692 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)COC[C@H]1NC(=O)OC(C)(C)C 2367786093 GPCHIVFXCMVGTM-IIDMSEBBSA-N 400.541 1.475 30 10 HDEE C[C@H](C[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)NC(=O)OC(C)(C)C 2367796016 HDRNJEVUOPQRHC-ZIAGYGMSSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367802322 ACHNBJHCPPBJKL-HNNXBMFYSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367811722 LEVFWWGDBNYUQI-BZUAXINKSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2367822651 WWXAWAFGEAXKFJ-BZUAXINKSA-N 402.557 1.313 30 10 HDEE CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cn1 59311902 ULGIGUGLILITQW-NGYBGAFCSA-N 414.451 1.927 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 301182517 QUDJSTSZZLBDJU-UHFFFAOYSA-N 409.475 1.384 30 10 HDEE C[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 409900157 QWZQTCIFPHKCBC-CYBMUJFWSA-N 401.858 1.147 30 10 HDEE COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 460754749 KKGGPOBCSSEUOO-UHFFFAOYSA-N 419.444 1.796 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 461617265 VMUOVKSMCPJCFG-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nn1C 471300700 OINXRKPKFSDPON-UHFFFAOYSA-N 401.492 1.562 30 10 HDEE CCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 478848262 OWFIXASKHSKQAS-CQSZACIVSA-N 413.499 1.141 30 10 HDEE COc1ccccc1N1CC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 480741130 RFYBRYZVBRYBAS-MRXNPFEDSA-N 403.435 1.931 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 480951194 IGDCPQWWMDKJTC-UHFFFAOYSA-N 402.398 1.977 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 484911711 OXIVZCFGKHNJCA-LJQANCHMSA-N 415.471 1.798 30 10 HDEE N#CCCn1ccc(NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)n1 509362135 ZHBNFCNABIEKOW-ZWKOTPCHSA-N 407.478 1.517 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 511374766 BGDSYUQFSAKJKB-HXUWFJFHSA-N 420.469 1.803 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 511908814 ZLCUAPGBSXFJHX-SNVBAGLBSA-N 404.780 1.271 30 10 HDEE C=CCNC(=O)CN1CCN(c2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 522900970 IVCCNPOAUQSDIQ-UHFFFAOYSA-N 406.412 1.982 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCOC1 533544853 MGPNGNVIMGFONN-CQSZACIVSA-N 400.525 1.880 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CC(N)=O 533579519 WXHOVYKIADXHFK-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)cc2C1=O 541501449 YCKUCFHVOXCGNG-GOSISDBHSA-N 404.426 1.789 30 10 HDEE COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546178507 FJJKKLQQSAEQTI-UHFFFAOYSA-N 415.475 1.431 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 546919857 XPMIAMKVRIVGJL-INIZCTEOSA-N 409.490 1.970 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)OCO3)C(=O)O)ccc1Cl 548536482 FDQDYMWWYFKGPE-AWEZNQCLSA-N 408.819 1.915 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC)CC1 549042276 CHPSHRCTKFYUNX-UHFFFAOYSA-N 422.493 1.038 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 562163092 DJRWHURQYUTLRD-KRWDZBQOSA-N 418.519 1.134 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 564354949 HVVJNUJGBWBYMN-QGZVFWFLSA-N 401.486 1.146 30 10 HDEE COCCOc1cccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 568450045 FZMBBKQHZGXPQT-UHFFFAOYSA-N 403.460 1.178 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1C#N 584007366 SSVIOPWOMFYVGQ-DNVCBOLYSA-N 415.490 1.968 30 10 HDEE O=C1ONN(c2ccccc2)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCOCC1 585673667 NXKVDQKEBDSMDG-DZYWVNKRSA-N 420.425 1.494 30 10 HDEE Cc1oc(NC(=O)CN2CCN(c3ccccc3S(N)(=O)=O)CC2)c(C#N)c1C 615456208 MIMJWDYDRHOQSH-UHFFFAOYSA-N 417.491 1.176 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 685547068 LMDTZRMOGOKWAD-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155777 FTXMWXUQLFABFK-KRZJZYHWSA-N 420.466 1.529 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC(F)F 732678194 VSQBFGRCALVDBZ-AWEZNQCLSA-N 408.405 1.225 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccn(-c3ccc(F)cc3)n2)cc1 741828483 AGBUDGDKTVRPEF-UHFFFAOYSA-N 414.418 1.905 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 743729382 ZCPWSXLFURCHEH-CYBMUJFWSA-N 403.529 1.582 30 10 HDEE N#Cc1cc(COC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)ccn1 746955337 XBLAYQGOFGEFSF-UHFFFAOYSA-N 400.441 1.922 30 10 HDEE Cn1c(N2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 749677463 TXXBMDMYQRSSDF-HOCLYGCPSA-N 417.510 1.572 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 750706886 BBTASGSUNLWEHE-HNNXBMFYSA-N 407.517 1.763 30 10 HDEE CNC(=O)c1cccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 752049045 GDVOGTMEWMRPLV-KRWDZBQOSA-N 400.479 1.950 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(C2CCOCC2)CC1 752377189 WBSNWSRTOPXWIG-UHFFFAOYSA-N 405.520 1.780 30 10 HDEE CNC(=O)Cc1nc(COC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cs1 754812869 KGHUIVMFGZOBSV-UHFFFAOYSA-N 412.475 1.639 30 10 HDEE COc1cc(CN2CC[C@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc(OC)c1 756093283 DUSUAOYNSVEGFJ-PKOBYXMFSA-N 413.522 1.660 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccccc1CCC(F)(F)F 757264642 BILXCOFJRGFWQZ-FOCLMDBBSA-N 424.379 1.763 30 10 HDEE C#CCN(C(=O)NCCSCc1ccnc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 758689519 LAMKAQWQTZSYHX-CQSZACIVSA-N 401.941 1.800 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)cc(OC)c1 760539015 RHCIKFCMUUFGTE-GFCCVEGCSA-N 422.322 1.269 30 10 HDEE COCCS(=O)(=O)c1ccc(CN[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 762370841 CISKUGXRVUIPTB-IBGZPJMESA-N 402.472 1.982 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 766450225 UAYTWBXKQKXEJI-GXTWGEPZSA-N 412.870 1.481 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@@H]1C[C@H]1c1ccccc1Cl 771892260 OWBNSCSDVNKZTB-STQMWFEESA-N 410.883 1.195 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21)c1cc[nH]n1 772120260 CCZMZFNKKPXUHS-QEJZJMRPSA-N 406.439 1.026 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 795373046 GAVBCAWUCHTCEO-QUCCMNQESA-N 410.522 1.987 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCCO2)CC1 802691225 CLVRCEHUWGTYQV-MRXNPFEDSA-N 419.489 1.528 30 10 HDEE CC1(C#N)CCN(C(=O)C2(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 803083035 LUTLJKZCVQVTCS-UHFFFAOYSA-N 413.540 1.953 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 816691510 SRFVNUXTEFHOQC-FZMZJTMJSA-N 400.262 1.952 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@H](CO)Cc3ccc(F)c(F)c3)NC[C@@H]2C1 849092819 HYIJLUQLRSDDRI-HZPDHXFCSA-N 424.492 1.996 30 10 HDEE CCCCCCCCCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 916194034 DXZTWKMOTUWIFT-UHFFFAOYSA-N 417.620 1.556 30 10 HDEE COc1cccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 916891999 WWKOOMXDGCYDBN-INIZCTEOSA-N 412.446 1.939 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)n1 1128672662 NQQNZNGDMGJELS-HXUWFJFHSA-N 410.474 1.902 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)C1 1134522500 WKFZHDRJXDCJFP-UHFFFAOYSA-N 420.487 1.185 30 10 HDEE C=CC1(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CN(C(=O)OC(C)(C)C)C1 1135541182 AOERHXZPRSAHQR-UHFFFAOYSA-N 423.535 1.806 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1136040738 AXKMYSKIEJDHLD-MRXNPFEDSA-N 412.471 1.227 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 1136149962 FAQLCVMYWUTODN-ZDUSSCGKSA-N 409.936 1.563 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](C)NS(=O)(=O)CC)n1 1136554203 PQPJUXFSVVNPAV-VIFPVBQESA-N 416.554 1.066 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1136758644 CXRBZAOFRUWXLW-INIZCTEOSA-N 416.478 1.632 30 10 HDEE CC(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C)C1 1137307362 ZHHWCGATWHAIFJ-LBPRGKRZSA-N 405.296 1.836 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(O)ncc1Br 1137537002 FJVWUFOFGITDFO-JTQLQIEISA-N 403.240 1.562 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 1139042111 HOIWKYVNGCAKDS-UHFFFAOYSA-N 407.478 1.998 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccnc(C#N)c1 1139857179 ZKJWBNZPEKMSLJ-QGZVFWFLSA-N 411.487 1.867 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)c1 1141383276 IGQXTSLDHGKAAE-UHFFFAOYSA-N 414.549 1.484 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1141998400 NUGGIECGIOQWFE-ZWKOTPCHSA-N 417.506 1.693 30 10 HDEE N#Cc1c(F)cc(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1F 1147243092 CYCQRNVHFBCAKZ-UHFFFAOYSA-N 413.446 1.539 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(=O)OCC 1151574986 XOCWBSFFRFVHRG-VIFPVBQESA-N 415.320 1.870 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(I)n2)CC1 1153261874 DVLVREOLINPEFL-UHFFFAOYSA-N 400.216 1.685 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(C#CCO)c2)CC1 1159432602 HYWAFFQXAYXUSY-HSZRJFAPSA-N 419.525 1.536 30 10 HDEE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N[C@@H]1CCCN(O)C1=O 1159642173 UPKCBFNZWIYEFP-MRXNPFEDSA-N 424.486 1.918 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCN3CCOC[C@@]3(CO)C2)ccc1Cl 1176523542 FLGUMUUGVHLCHH-FQEVSTJZSA-N 406.914 1.274 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2ncnn2C)CC1 1176801496 YQACBSJDBPBTDJ-CYBMUJFWSA-N 413.906 1.661 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@@](C)(Cn3cccn3)C(N)=O)c2C#N)C1 1176861410 XSKKCYDFJWJYQA-XCLFUZPHSA-N 414.535 1.803 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCc2nnc(S)n2C2CC2)C1 1233852413 KQBFVHYBHCXYKS-AAEUAGOBSA-N 421.527 1.502 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1286298731 OFEXLBLRMSCUDU-CJNGLKHVSA-N 416.507 1.040 30 10 HDEE C#CCCCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1286359876 LSJJVLQKCXEFPD-KNQAVFIVSA-N 417.554 1.645 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1C 1286442610 GQLCMEHHOBDQIO-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1286477180 QSNFUBRFGWHEFR-JOCHJYFZSA-N 423.521 1.551 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286790305 CTKADNYFQAGBKD-ZDUSSCGKSA-N 418.448 1.116 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCOCC2)C1 1286807515 CVXOLJBZMWLHFT-SFHVURJKSA-N 413.526 1.629 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(O)CCOCC2)C1 1286814054 IWPTVSGMXYXHIT-KSZLIROESA-N 422.526 1.325 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286823303 UFWGAINNCMZDDP-KRWDZBQOSA-N 409.556 1.184 30 10 HDEE CCO[C@]1(c2nnc(N(C)CCc3cnccn3)n2Cc2ccc(C#N)o2)CCOC1 1296562414 XAUBWXYSZOCKFY-OAQYLSRUSA-N 423.477 1.912 30 10 HDEE CCN(C)C(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1296726979 AHXVZKRMSRNTIZ-GOSISDBHSA-N 400.479 1.987 30 10 HDEE CCOCc1nnc(N2C[C@H](OC)C(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297109920 AOKUAOSNGYEXBN-DVEDPGPFSA-N 418.498 1.202 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1298660487 NDOWFBWJYNNODD-PKOBYXMFSA-N 420.391 1.413 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1300233097 FHRKDQQJZRJYSY-UHFFFAOYSA-N 418.475 1.948 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1300272979 OMXCCZGOLHRMNM-JKSUJKDBSA-N 404.540 1.682 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCOC1 1300307809 IRTCAHXXHVDFFZ-HRAATJIYSA-N 411.510 1.061 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1300501888 OBJGFPYTLLNKGV-BRWVUGGUSA-N 419.551 1.388 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cc(C)on1 1301492614 LGDLUMBGWIDKGV-UHFFFAOYSA-N 410.434 1.909 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC(=O)N2CCCCC2)c1 1302982205 GIIAWBFUUZVVTO-SFHVURJKSA-N 421.505 1.531 30 10 HDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1cncc(C#N)c1 1303862613 ZTRSTOSCPREDIQ-WMLDXEAASA-N 401.511 1.795 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1305879943 BPZJRARSJHTCRX-YADHBBJMSA-N 410.522 1.889 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Oc3ccccn3)cc2)CC1 1310319735 NJLCQWZUCYMNFV-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE C#CCN(C)CCCNC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1 1312786818 BZQSWPVFKOIQRX-UHFFFAOYSA-N 406.552 1.580 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@@H](C(=O)OC)[C@H](c3ccc(F)cc3F)C2)nn1 1312898613 QWEHAJMBJGNSCB-JKSUJKDBSA-N 405.405 1.841 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@H]1C 1315630538 AFGKZTCDMHIVMN-XPIZARPCSA-N 413.478 1.146 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1316172711 UXBWALAQTCAMGH-QZTJIDSGSA-N 420.558 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1358873383 IIZXPFXNSCBDAR-JKSUJKDBSA-N 401.515 1.826 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1358894937 ZQLUVBCANFCVEE-ZFWWWQNUSA-N 407.565 1.917 30 10 HDEE C#CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1358913499 PANKEHUJOOYQMZ-UHFFFAOYSA-N 402.543 1.453 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1358960555 HBVZXOHCAZLGJR-MRXNPFEDSA-N 414.535 1.798 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(OC)CCCCC1 1359026602 FFWORHZXGNIJFC-UHFFFAOYSA-N 403.527 1.836 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C(C)C)C(C)C)CC1 1359034692 APDRVDYTXRPYQT-IBGZPJMESA-N 415.586 1.493 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1359203124 IPBQZYDTYCLBKS-SFHVURJKSA-N 423.583 1.889 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1359304946 ONHWZJJPNQTAPQ-CQSZACIVSA-N 406.512 1.460 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1360476411 LLERFMVZIANAPP-NHWLHPCLSA-N 413.482 1.437 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1360799432 YPRQHAYGNASOBL-IRXDYDNUSA-N 405.462 1.460 30 10 HDEE C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccnn1C 1438655208 VLPHKOGUMABWRX-CQSZACIVSA-N 401.492 1.570 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1 1440497203 UNRVMDJZMOJRMI-UHFFFAOYSA-N 400.456 1.675 30 10 HDEE CO[C@H](C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C(=O)OC(C)(C)C 1441141434 ZGJLRJVVXLRQLT-QGZVFWFLSA-N 413.478 1.732 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)COc2ccc(Br)c(C)c2)CC1 1449057682 FWNAJCNONDMLRV-UHFFFAOYSA-N 408.296 1.030 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1450267298 BIYMIOJXTWSUIT-TZMCWYRMSA-N 400.298 1.155 30 10 HDEE C[C@@](CO)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(O)cc1 1452426059 DADIDJFFPSOVRJ-IBGZPJMESA-N 403.460 1.222 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ccsc2C#N)CC1 1453387228 CWOPXWAUTLYYFT-MRXNPFEDSA-N 414.535 1.765 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1S(C)(=O)=O 1453436267 DAVPMCGJQQIOQN-CQSZACIVSA-N 400.460 1.851 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)n(C)c1 1454677415 GIOIBNKRAZVWIJ-IBGZPJMESA-N 401.492 1.368 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C[C@@H](NC(C)=O)c1ccc(Br)cc1 1454921354 CJUOYFZPELDQCQ-OAHLLOKOSA-N 410.268 1.932 30 10 HDEE C#CCOCCN(C)C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1457393416 JIJQVGSHHPZRKM-UHFFFAOYSA-N 402.495 1.861 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)CC)ccc2Br)nn1 1461058088 KYEPLVRHJROVJY-UHFFFAOYSA-N 413.297 1.950 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCc4nc(C#N)ccc43)C2=O)cc1 1461277357 LYJBRJOIECIQAX-QFIPXVFZSA-N 419.441 1.708 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1468882856 TVMCEPFHTRDFSK-OPAMFIHVSA-N 420.465 1.747 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C(C)C 1470397773 KDHKNYWTGCRXLK-ROUUACIJSA-N 400.527 1.209 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1C#N 1471335334 CYJNFBIUHYELSQ-UHFFFAOYSA-N 403.508 1.560 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)c(=O)n1CCO 1473078882 MYQQKPFPRJMCRU-LBPRGKRZSA-N 404.854 1.055 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1475545501 YRLJFUASTBWGEP-OALUTQOASA-N 424.519 1.372 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1 1503279489 GYMJTYHATAIEMC-YOEHRIQHSA-N 414.507 1.291 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1503708638 MRICJVONGSDHJM-YJBOKZPZSA-N 412.494 1.441 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507571578 GIJHYZOHUZXYFD-JKSUJKDBSA-N 412.498 1.465 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1 1507607571 AEGVEZAGJPDOJU-UHFFFAOYSA-N 417.517 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507653489 QUAKWNSJOOZYPX-ROUUACIJSA-N 401.536 1.433 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1507688112 XFIQMYGVNJJTCS-UHFFFAOYSA-N 414.491 1.609 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C)Cc3ccccc3C2)CC1 1507715925 KAFYLAVKZVSYGS-UHFFFAOYSA-N 420.561 1.977 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCN(CC(F)(F)F)C2)CC1 1507732313 FRRUDQQBNQUKGF-INIZCTEOSA-N 414.476 1.454 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC)C1 1507751896 OVDCCMDUPUTIOA-CQSZACIVSA-N 419.507 1.224 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507840593 RUTFLRKDDLBDJF-INIZCTEOSA-N 407.540 1.890 30 10 HDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507936406 ANYAJKWJLYRJHG-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCN(C)C(=O)C1 1508073040 LWLACRCAPMCDQY-UHFFFAOYSA-N 419.489 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1508080082 JSODWWQHZIXNJU-UHFFFAOYSA-N 423.521 1.700 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1508094483 YGMNWKWOAQEIGI-UHFFFAOYSA-N 419.574 1.799 30 10 HDEE CC(=O)NC1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1508337564 DIBSWNFZDAQDFQ-UHFFFAOYSA-N 422.493 1.758 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1508427753 RMGZDBKUAARODO-GJZGRUSLSA-N 418.523 1.671 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOC1CCOCC1 1509638266 LBHZLBZZFYVWKB-IBGZPJMESA-N 408.478 1.444 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1512407693 NFGNDMYRYBMIDB-IYBDPMFKSA-N 417.535 1.970 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1517450104 CGXALJHSUDVBDI-JLTOFOAXSA-N 414.535 1.503 30 10 HDEE COCCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519059591 HYJONJKODZECEA-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CCC(=O)N1CCOCC1 1519129856 DMRBSBRDCIPSIH-UHFFFAOYSA-N 412.494 1.360 30 10 HDEE C[C@H]1CN(CCN(C)c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1520831755 FBWBXAHUKYIZGW-BBWFWOEESA-N 414.510 1.840 30 10 HDEE CCn1ncc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1Br 1523174549 GMLMPCPBQOWHKV-UHFFFAOYSA-N 406.288 1.542 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)o1 1526641960 YBQNGGVTECVGGF-FQEVSTJZSA-N 416.455 1.760 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCCS(=O)(=O)C1 1527328390 AFUYYGQFBDKDEH-NSHDSACASA-N 401.282 1.641 30 10 HDEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CC1 1529675728 LYWUVTRFRXBPBL-UHFFFAOYSA-N 422.503 1.729 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1534145516 KIUABGIAHBNCCF-ZDUSSCGKSA-N 400.884 1.129 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN1C1CCCCCC1 1535612888 UPXXVVPAYGLILS-INIZCTEOSA-N 404.536 1.638 30 10 HDEE CN1CC[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 1538615837 XLSAWMZUPOHYGJ-QZTJIDSGSA-N 404.478 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1538970117 AAESSJXLFFTPEI-OKZBNKHCSA-N 424.615 1.714 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)NC4CC4)CC3)n[nH]2)c1C 1539121509 JXXHPZPOTFKFHP-UHFFFAOYSA-N 411.510 1.112 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1539140007 QFQGPMBIIZDPJL-HXUWFJFHSA-N 418.586 1.459 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1539405884 PACZKOZKTARKNZ-NRFANRHFSA-N 422.493 1.168 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@@](C)(C#N)CN(C)C)cc1 1539432128 JFJLJMFDQKMRTP-IBGZPJMESA-N 408.524 1.250 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)C(C)C)CC1 1539459693 MYYVXXCBTMOZBS-UHFFFAOYSA-N 424.549 1.427 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1539489309 LCJGDRJXGGWFTB-GOSISDBHSA-N 416.595 1.945 30 10 HDEE COCCOC[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1539493856 IEUNSNAXKVPLNJ-FUHWJXTLSA-N 414.462 1.275 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539512318 BQRVGCXNOZBASM-KRWDZBQOSA-N 406.577 1.929 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@H]1C 1539538319 FQUBBXRFHROHLU-WTLGNFPFSA-N 409.556 1.432 30 10 HDEE C=CCN(C(=O)c1ccc(I)cc1N)[C@H]1CCS(=O)(=O)C1 1542216699 AHOBYZRLEDETFE-NSHDSACASA-N 420.272 1.689 30 10 HDEE O=C(Cc1ccccc1OCc1ccncc1)NCCN/C(O)=C1\N=CC=CC1=O 1542978241 KSPLCZIZGZRXQV-QURGRASLSA-N 406.442 1.846 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 1543799375 FYJOYAIMTNPCKK-UHFFFAOYSA-N 400.460 1.744 30 10 HDEE COCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCC1 1555306697 YDUNYVIQHZHJRF-LAUBAEHRSA-N 419.526 1.864 30 10 HDEE C#CC[C@@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1556971062 PQQVUJWPJRMDQY-GFCCVEGCSA-N 409.236 1.246 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(O)nc(S)n2)cc1 1562197793 UFXVRKLCWMVMHA-UHFFFAOYSA-N 409.493 1.599 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)C1 1567388473 XTPYCSDFLBFPCT-ZCGHOXCVSA-N 412.446 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCSC[C@@H]2c2nn[nH]n2)CC1 1567808982 KJQGAUOXJOBMMN-CQSZACIVSA-N 406.512 1.467 30 10 HDEE Cc1nc(SCC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c(C#N)c(C)c1C 1585987087 GJYXYJQPEUJJPZ-SFHVURJKSA-N 409.533 1.387 30 10 HDEE CO[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCOC1 1587103588 JEHVHPNQNZJVGW-PKOBYXMFSA-N 421.519 1.127 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1Cc1cn(C2COC2)nn1 1587667882 OIMVCKAJHNOGDI-MRXNPFEDSA-N 407.478 1.835 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCOC[C@H]1OC 1588673630 VFORCBXAUSYDLZ-FUHWJXTLSA-N 419.551 1.771 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1588930168 OVUCNBCLTSZVTC-LJQANCHMSA-N 422.489 1.998 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 1589483559 OYFKGOARKUZXNR-AVYPCKFXSA-N 404.515 1.099 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1 1589568522 KEFJBOCXGKEYTN-GJYPPUQNSA-N 416.526 1.083 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1594733294 QIIGNQWKBCWIAP-KRWDZBQOSA-N 420.539 1.609 30 10 HDEE C=CCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595452808 CKRCWWWRHKIGJF-OAQYLSRUSA-N 418.542 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595788575 DELGLRLLHHGUAD-OAHLLOKOSA-N 406.512 1.197 30 10 HDEE C#Cc1ccc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)cn1 1596099894 BXXXJRBOPDVPJE-ULYRPOKDSA-N 413.474 1.981 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cs1)C(N)=O 1611238133 GUDXJMPQTWMJHH-NSHDSACASA-N 402.501 1.813 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(C#N)cc2I)O1 1616834192 YQNYFXJMKUIWIZ-NEPJUHHUSA-N 400.172 1.822 30 10 HDEE CS(=O)(=O)[C@H]1CCCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1618302873 RFKMKHHNECFLNG-ZDUSSCGKSA-N 402.469 1.162 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1619723347 NJQHGRYSXCJBLI-GOSISDBHSA-N 412.494 1.728 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 1624508555 VVFQXXYYDDSFKY-OAHLLOKOSA-N 402.513 1.003 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 1624565946 ZJTITJWRCLHLCY-UHFFFAOYSA-N 415.899 1.946 30 10 HDEE C#CCCN1CCC(NC(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1628690588 GZUBFCVSOWTVOG-NRFANRHFSA-N 404.511 1.746 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1629543710 YBSMFVBVSSTAMI-GJZGRUSLSA-N 421.498 1.459 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCn2cncc2-c2ccccc2)cc1 1634506683 OMSLHBCCLQOAHI-UHFFFAOYSA-N 409.471 1.516 30 10 HDEE N#Cc1cccc(ONC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1635506684 PPBQJFABCVIPGO-UHFFFAOYSA-N 417.443 1.498 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2coc(CS(C)(=O)=O)n2)C1=O 1635568873 WYOFBKQRRRHPGE-KRWDZBQOSA-N 414.484 1.535 30 10 HDEE C#CCN(C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCN(C)CC1 1635679853 FPOFZNXNWFEWOH-UHFFFAOYSA-N 403.548 1.616 30 10 HDEE C=CC[S@](=O)(=NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccccc1 1636977615 DZVHOPJNUSRJPP-AREMUKBSSA-N 404.473 1.835 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)C2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1637482882 PFGMGGPUWZXJJT-UHFFFAOYSA-N 422.482 1.211 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@@H]1CCCN(CC#N)C1 1638390178 QHRALZSBZLVJQV-WMZOPIPTSA-N 423.558 1.394 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCc2nc(O)c(C)c(O)n2)c1 1639283050 PKVCRLNMZZVBNG-UHFFFAOYSA-N 403.460 1.308 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(Nc3cc(C#N)cnn3)CC2)cc1OC 1639512553 BYMPQVCLEGLQAA-UHFFFAOYSA-N 403.464 1.631 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)C(=O)OC 1639558379 ITTOZKPRCMKSFY-ROUUACIJSA-N 405.426 1.215 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCOC34CCOCC4)ccc2c1=O 1640276298 ANNTWVLIGYLVQA-MRXNPFEDSA-N 401.488 1.939 30 10 HDEE COc1ccc(CN(C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)C2CC2)cc1 1641346636 BGCDNJORBJZPEY-UHFFFAOYSA-N 408.458 1.725 30 10 HDEE COC(=O)[C@@H]1CN(C[C@H](O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1644661814 MBIMAZPOVVSBBX-ROUUACIJSA-N 415.490 1.934 30 10 HDEE NC(=O)CSCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937368 LVVFVUXPQBFXNN-WDSKDSINSA-N 400.291 1.834 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@](C)(C#N)C1 1652916064 FSNGXSRRDLZJNI-RHSMWYFYSA-N 415.512 1.367 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(OCc4ccccc4)ccc3O)C[C@H]1CS(=O)(=O)C2 1653073240 VRODFUHBETTYNW-HRAATJIYSA-N 412.467 1.982 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@@H](C)CN2CCOCC2)c(C#N)cn1CCOC 1668605497 DPDNNSDLRZNESG-OAHLLOKOSA-N 421.498 1.273 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)CC1 1669290121 HTRXLAMWGGMVER-UHFFFAOYSA-N 411.506 1.859 30 10 HDEE C#CCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@@H]1CCS(=O)(=O)C1 1672308072 AXMATRGFRSMJRT-SSDOTTSWSA-N 418.369 1.846 30 10 HDEE Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)NCC#CCN(C)C)CC3)n2)cc1 1676930949 ZSOKRALLZMDDNX-GOSISDBHSA-N 410.522 1.998 30 10 HDEE C#C[C@H](NC(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1682058956 ADBJSAOHVBDNPK-SFHVURJKSA-N 408.543 1.657 30 10 HDEE C[C@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCN(Cc2ccccc2)C1 1682168824 CPQQRCFGPGYJCS-TYPHKJRUSA-N 416.547 1.478 30 10 HDEE COCCOC1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CCOCC1 1682520144 DQAIEZPMLDUXMU-LJQANCHMSA-N 403.479 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1683173223 NSLDDRHAOFMLLW-INIZCTEOSA-N 409.483 1.670 30 10 HDEE C=C(CC)CNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683324183 YAJNDIRHDSSCHP-UHFFFAOYSA-N 416.544 1.229 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1684163810 JYXFCZJYHQYHDX-UHFFFAOYSA-N 400.504 1.862 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCCNC(C)=O)c1 1689873255 CEAKJINKZDJYKK-UHFFFAOYSA-N 408.506 1.813 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1689923704 ZIZOYRBJQLCXBH-GOSISDBHSA-N 411.554 1.734 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689986256 LVRJSPMXBYAWRY-DOTOQJQBSA-N 403.508 1.249 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1690059004 GXRAOQBTRQICGX-INIZCTEOSA-N 418.567 1.771 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(C)=O)cc1 1690059688 VPVSXKMDALPGNM-CQSZACIVSA-N 418.523 1.355 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCN2CCN(C)C(C)(C)C2)CC1 1690120439 VDFJWFGYGZDAMP-UHFFFAOYSA-N 422.581 1.121 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2OCCC2(C)C)CC1 1690154356 MOECCXBXKQKMMJ-MSOLQXFVSA-N 415.538 1.911 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690299299 MSGMQIJTEPNHCJ-ROUUACIJSA-N 418.542 1.916 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OC)C1 1690503050 NTVJFDRJNGAQHG-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)C(=O)C1 1690672874 GQCKQXDKPDEMAQ-UHFFFAOYSA-N 412.469 1.121 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1690678118 LOJCFMOFPIKUEH-GFCCVEGCSA-N 403.405 1.325 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)C1 1692433695 DKELLWSSQBHSQT-QZTJIDSGSA-N 413.526 1.369 30 10 HDEE CC(C)COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1692455771 OVHUIICUKWEHDK-CRAIPNDOSA-N 413.519 1.685 30 10 HDEE Cc1nc(C)c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)s1 1693342273 HJQIGTIHGBMVKK-UHFFFAOYSA-N 423.502 1.787 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cs1 1693351812 HIKSQZSCELOEQC-AUUYWEPGSA-N 417.514 1.991 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696585357 YNLHBEPLXXEOOF-UHFFFAOYSA-N 418.461 1.353 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1)OC 1697756959 IDSYWWYCCRDUCF-SJLPKXTDSA-N 412.494 1.570 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1)OC 1697756960 IDSYWWYCCRDUCF-WMZOPIPTSA-N 412.494 1.570 30 10 HDEE COCCN(CCC#N)c1nnc(C2CC2)n1Cc1cccnc1N1CCOCC1 1698060368 DDZIHLBCUVOPBV-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1705508847 WVSKJUQFMWUCGB-UHFFFAOYSA-N 420.521 1.813 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705532319 LOIHVBPXWRMNRQ-MRXNPFEDSA-N 416.503 1.959 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1705541573 MWUFZPMFINMSTA-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1705565272 GECYWLKBLFFUHM-CQSZACIVSA-N 402.467 1.454 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1COCCO1 1705575090 XJAILKMUIMJLNI-RXVVDRJESA-N 402.495 1.197 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC[C@H](CO)O1 1705630440 TWYAUBMHWKOKOF-DLBZAZTESA-N 405.524 1.260 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(Nc2cccnn2)CC1 1705658228 IXSQROLJUDULKK-UHFFFAOYSA-N 421.534 1.972 30 10 HDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705732823 CVWWVHGYCQIFJM-OAHLLOKOSA-N 420.901 1.537 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705821042 IYGBBCVDTSIQGR-HXUWFJFHSA-N 423.565 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1705934848 YSWBIUYZMWPJTO-OAHLLOKOSA-N 404.540 1.559 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1712473317 TYCSWNXQQVSNEF-SPYBWZPUSA-N 406.462 1.066 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722321843 LATQWRZGUAHLAL-QGZVFWFLSA-N 402.543 1.915 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722446700 JCZKPULBIPBBTJ-MSOLQXFVSA-N 421.567 1.446 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCCN1CCC[C@H]1CO 1722465734 AXUOZYHMWLPJQM-PGRDOPGGSA-N 416.570 1.645 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCCNS(=O)(=O)CC 1722473875 IJBUTAPISWWEGV-VQIMIIECSA-N 409.556 1.494 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC=C(Br)C1 1722699531 VPFUCNRMSCZADM-CYBMUJFWSA-N 410.316 1.963 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2ccnc2C)C1 1722715485 SQYXOJIUELZKQT-MSOLQXFVSA-N 413.526 1.996 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722736391 WCEWVNUVYOXOBB-HNNXBMFYSA-N 424.596 1.673 30 10 HDEE COC[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730576757 VDEYIFJNHOFJGP-HMWBCQRISA-N 400.483 1.545 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1730762247 BYEPOBMTFRWTFL-KURKYZTESA-N 417.558 1.716 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)F)CCO1 1731186626 FLVHPBOWSUFOMQ-GFCCVEGCSA-N 424.383 1.106 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740567173 OKRXXJGTXDNMKE-YYIAUSFCSA-N 409.556 1.411 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CS(C)(=O)=O)c1 1740598552 UQYJZJDDTJAZKB-UHFFFAOYSA-N 415.519 1.176 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1740621297 LEWUSSZEQHJETP-OAHLLOKOSA-N 403.508 1.205 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCN2CC)CC1 1740698953 RJMNPNHMDOVISR-IBGZPJMESA-N 413.570 1.030 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCN2CCCC2)CC1 1740700578 WIULTDGHLDISJH-UHFFFAOYSA-N 424.549 1.717 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)[C@H](C)CC 1740724702 HSPJKGDNLREMQJ-OHQAAIJDSA-N 411.572 1.678 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCCC2(CCOCC2)C1 1740953162 XMRPFMUYUCEAQM-KRWDZBQOSA-N 421.542 1.701 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740962024 PNIGXAOZBRVOKI-HIFRSBDPSA-N 424.427 1.722 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1741112965 DQCZYRNOQDGRIW-UHFFFAOYSA-N 409.494 1.435 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1741123899 BUJYUPOADCUXGK-DGCLKSJQSA-N 420.315 1.921 30 10 HDEE CC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1745019485 HFTYJWAFQOHJHM-LMCNMRDDSA-N 400.483 1.686 30 10 HDEE CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1746405373 HYRHORROVBORDS-QRWLVFNGSA-N 412.473 1.852 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCCC[C@H]1C 1748771254 HJYSIQRFHSZQHH-SJORKVTESA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1C[C@H](F)CN1Cc1cccs1 1748784960 JPCUHVKOWKXULU-ZOBUZTSGSA-N 416.526 1.973 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOCCC=C)CC1 1748993835 OFRGVEDEUSANDA-UHFFFAOYSA-N 400.552 1.982 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749139113 BJAHZZPMRLVZNY-XLMAVXFVSA-N 405.499 1.731 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCCN(CC)C(=O)C1 1749664320 KFMHWGKCFLNAOI-UHFFFAOYSA-N 416.913 1.959 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1749669805 NZMAYICRFUBCHS-QGZVFWFLSA-N 411.506 1.572 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1749850623 BPAGIOUPQHEQTH-HXUWFJFHSA-N 412.519 1.353 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCNC(=O)C2CC2)c1 1760128756 RJNPGYFLUAUNBF-UHFFFAOYSA-N 406.490 1.738 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1760153264 LZHZCASLQVBZHF-IKGGRYGDSA-N 416.526 1.010 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760178687 XFCZBLNBGZODNR-SFHVURJKSA-N 411.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ncnn1C(C)(C)C 1760202081 RYONSZYYSSFFFF-UHFFFAOYSA-N 420.477 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1cccnc1 1760207250 BYIYDPGFAWUHLA-UHFFFAOYSA-N 404.499 1.980 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOC[C@@H]1OC 1760209091 UVQPMDZQVWPVGE-MJGOQNOKSA-N 415.538 1.711 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)[C@@H]1C 1760514489 HFFYLQWVNWEZEB-UONOGXRCSA-N 415.523 1.558 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1760515516 WPRVKFCVNOOKRG-IAGOWNOFSA-N 400.527 1.833 30 10 HDEE CC(C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760911317 VDYHBQHVJSNUMA-CZIZESTLSA-N 416.526 1.917 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1766619519 ULGAYHUIBMQQLK-KRWDZBQOSA-N 410.478 1.576 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769107374 REHUVGCZRAHKIN-NVXWUHKLSA-N 415.542 1.121 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1770159655 LRGGNUBLLUSDFN-OALUTQOASA-N 424.505 1.727 30 10 HDEE COc1ccccc1OCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC(=O)N1 1770500904 DLCHNUUEDMSMRL-MRXNPFEDSA-N 410.478 1.884 30 10 HDEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772789685 JXXBFXSPBGETER-UHFFFAOYSA-N 418.427 1.970 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nc3[nH]cnc3cc2Br)CC1 1849416480 AWAKHYXTABDLGW-UHFFFAOYSA-N 412.251 1.949 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)c(C#N)cc1C#N 1851054391 AYCYDOPJVKTJRS-QGZVFWFLSA-N 401.426 1.736 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1851071082 UXEYKRFPBIBNOX-CYBMUJFWSA-N 405.442 1.702 30 10 HDEE Cc1nc(C(=O)N(C)CC(=O)N2CCN(C)CC2)c(C#N)c(C)c1Br 1851343179 CBBOFGVKNBDJML-UHFFFAOYSA-N 408.300 1.179 30 10 HDEE COc1ccc(N(C(=O)C2CS(=O)(=O)C2)c2nccc(N(C)C)c2C#N)cc1 1851498016 JYZCUTWDUSKLNK-UHFFFAOYSA-N 400.460 1.737 30 10 HDEE N#Cc1ccc(C(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1F 1851589950 LNNCALOOCHTXLX-HKUYNNGSSA-N 407.401 1.866 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)CC2)nc1 1851720794 FMXDUYWECBKYDL-LJQANCHMSA-N 419.485 1.672 30 10 HDEE C=C1C[C@H]1COC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1852773666 QFFMTKBLMXNLLF-HNNXBMFYSA-N 409.508 1.539 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)c1nc3ccccn3c1I)CC2 1852947983 FDILWAHAIAAUMT-UHFFFAOYSA-N 418.198 1.732 30 10 HDEE Cc1ccccc1C(=NOCCN(C)C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853403543 FYLPXDMUGDHUCF-UHFFFAOYSA-N 416.503 1.708 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(Cc2nnnn2-c2ccc(F)cc2)[C@@H](C)C1=O 1854182752 OXCQKVGEYFFVNJ-GJZGRUSLSA-N 400.458 1.963 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CC(F)(F)C4)C(=O)C3)C2)cc1 1854239588 VDQVLDRVMYQMDW-SFHVURJKSA-N 402.445 1.849 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)C1 1854622008 KTZPJQYXALIVNX-OAHLLOKOSA-N 401.463 1.304 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854820391 KBVSZXNPNXKZMY-DYESRHJHSA-N 400.454 1.582 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)C1=O 1856451429 IPLZKGGEGTVZKA-YJBOKZPZSA-N 400.454 1.932 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)CC1=O 1856816171 MPEDXRVXIPHASF-RHSMWYFYSA-N 423.922 1.790 30 10 HDEE Cn1ccc(C(=O)N2CC[C@H](N3CCC(COc4cccc(C#N)n4)CC3)C2=O)n1 1856971975 IOMGCTMLHOTPIB-SFHVURJKSA-N 408.462 1.219 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1856998529 FJSGTEPTYLEFAX-ZIAGYGMSSA-N 401.492 1.489 30 10 HDEE CC(C)c1cc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1857065842 BGXJOCVEJCMCHT-KRWDZBQOSA-N 408.462 1.628 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(OC)cc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857236396 FRZXXXPRRKODLQ-HNAYVOBHSA-N 415.490 1.411 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1857374096 WGAYKMXCILYKQB-SFHVURJKSA-N 403.504 1.604 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccc(OC)c2)cc1 1858963093 WPOGGGUWVRVKEK-UHFFFAOYSA-N 402.428 1.673 30 10 HDEE CSCC[C@H](C(=O)N(CCC#N)[C@@H](C)C(=O)O)N1C(=O)c2ccccc2C1=O 1866331288 HSHOQUIAWZFUCG-SWLSCSKDSA-N 403.460 1.620 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOC)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871542054 NIIAWYBQLFBTKU-UHFFFAOYSA-N 400.483 1.713 30 10 HDEE C=C(C)CN([C@H](CC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(C)(=O)=O 1872274397 FUINOIOYZZHXGF-LJQANCHMSA-N 408.568 1.993 30 10 HDEE Cc1c(Br)cc(C(=O)N2CC(Oc3cccnc3C#N)C2)c(=O)n1C 1890175470 HGSIBFOHCQLRAW-UHFFFAOYSA-N 403.236 1.626 30 10 HDEE CCCn1c(C(=O)NCC#CCN2CCOCC2)cc2c(=O)n3ccccc3nc21 1890259959 VTXUGSVWYKNEJH-UHFFFAOYSA-N 407.474 1.125 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C1(O)CN(C(=O)OC(C)(C)C)C1 1918786015 SXNMAXGAZTTYQQ-NSHDSACASA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1987703025 YWXXWWOZEALNOP-XQLPTFJDSA-N 410.320 1.670 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025896564 ZEVMPOCTLPHXOI-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE N#Cc1ncccc1CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074667651 SHYSQORYSIGIAT-INIZCTEOSA-N 403.416 1.248 30 10 HDEE CN(C[C@H]1CCCN1S(=O)(=O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C 2174782745 UMSSUKGUZHKRBS-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE Ic1cnn(CCN=C2N[C@@H](C[C@H]3CCOC3)CS2)c1 2195433983 HDIOFLMGZRBVLJ-PWSUYJOCSA-N 406.293 1.975 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC(C=O)CC2)S(=O)(=O)C(C)(C)C1 2197734446 LJSSGDAEXCMXNN-AWEZNQCLSA-N 402.513 1.237 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2217456235 NXMOODWJZJDEAM-ZBFHGGJFSA-N 419.331 1.442 30 10 HDEE COC1(CCNC(=O)OC(C)(C)C)CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243393555 URBJSUGJXPXQFB-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE CN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2243423430 YYCGYDWFETYFAO-UHFFFAOYSA-N 406.292 1.373 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CCN4)C3)cc2Cl)OC1(C)C 2267703503 XGZPAYGPAGCHBD-UHFFFAOYSA-N 404.750 1.437 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)C[C@H]3CO)sc2Cl)OC1(C)C 2281970419 QUINOYXEVGJRRJ-QWRGUYRKSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NC[C@H]2CCCCS2(=O)=O)OC1(C)C 2282019463 MBWSFJFATCVLJL-LLVKDONJSA-N 400.331 1.139 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CC[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315676 QWVGIJOTLMNDJF-YDBLSZJJSA-N 421.415 1.791 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCNCC2)sc1B1OC(C)(C)C(C)(C)O1 2282318097 CQIOZSILSAJCOA-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCNCC3)c(Cl)c2)OC1(C)C 2282827545 ZXMWVTBHCPCHHU-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3ncccn3)cc2Cl)OC1(C)C 2282842713 BTWVNLYMVIAKHG-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2282867034 SGCPMQYUCITYQJ-QWHCGFSZSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2342052476 UVHMSLJBCFYTOW-GJZGRUSLSA-N 402.582 1.885 30 10 HDEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C1 2362574495 UGZZKIDYAOUODW-NSHDSACASA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H](OC)CCN1C(=O)OC(C)(C)C 2365204251 XIMGIRWNQQTYQS-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367787423 LOTUIXMDZDKPCH-HRCADAONSA-N 401.525 1.590 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792322 NLNDNSZXUHJHLH-UONOGXRCSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367807226 RIHBDTTWHMWBKO-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367810082 TWQIGPJQYNKQIC-IFXJQAMLSA-N 400.541 1.292 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 2367826430 YKEBYKCKHMULTB-ARFHVFGLSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)NCCOC[C@](C)(C(=O)O)N1CC[C@H]2SC(=O)C=C2C1 2372929628 AWABNJAFCRQHDN-FZKQIMNGSA-N 400.497 1.645 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1 15917936 OGKLNPKPMQGBPH-UHFFFAOYSA-N 423.516 1.654 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)Cc1nn(C)c(=O)c2ccccc12 65931113 ZZNBYNVSJIAEBC-UHFFFAOYSA-N 403.486 1.938 30 10 HDEE C=CCOc1cc(C(=O)NCCc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)cc2occc12 222476006 YOPFCEWDRLAFLT-UHFFFAOYSA-N 423.429 1.244 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCN1CCN(c2ccc(F)cc2)CC1 301379390 ZKGXDYVIXRYWLI-UHFFFAOYSA-N 403.483 1.579 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c(C#N)c1CC 301619618 LYYUUFHMYUMKFM-UHFFFAOYSA-N 414.535 1.708 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 409925026 VQMINXQUMDWTPW-HXUWFJFHSA-N 419.485 1.915 30 10 HDEE N#Cc1ncccc1S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 428264647 DGJTZVZUZNXERH-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE Cc1ccc(C(=O)NC2(C(=O)Nc3ccccc3)CC2)cc1S(=O)(=O)NCC#N 428761886 XDWMNFBZQFTDFR-UHFFFAOYSA-N 412.471 1.698 30 10 HDEE COc1cc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)ccc1C#N 431377532 YSASYYSBDNXIMG-UHFFFAOYSA-N 418.475 1.435 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cn(C)nc1C(F)(F)F 439684589 BPKGZYKCZMCNAU-SNVBAGLBSA-N 415.397 1.294 30 10 HDEE CCCc1c(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cnn1-c1cccc(C#N)c1 439684994 UGHHTAVWEDVILZ-MRXNPFEDSA-N 416.507 1.981 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461311602 RITPQVRFTMHCKL-INIZCTEOSA-N 402.480 1.672 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2ccsc2)cc1 470436843 FMHUBWFXPFVICQ-HNNXBMFYSA-N 400.485 1.890 30 10 HDEE CCO[C@H]1C[C@@H](O)C12CCN(CC#CCN1CCC3(CC1)[C@@H](O)C[C@H]3OCC)CC2 472607117 VXFVDWPNWXISAP-ZDNVTZCJSA-N 420.594 1.494 30 10 HDEE COC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccco1 472811298 WWSZURXLWSVTTF-MRXNPFEDSA-N 418.475 1.555 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)c1 492085294 QXFORMSYMXTSIV-UHFFFAOYSA-N 415.519 1.714 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 505965448 JGLBPUJJTXAOSK-DLBZAZTESA-N 402.495 1.011 30 10 HDEE Cc1nc(SCC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)c(C#N)c(C)c1C 506702358 ZAWIKRRBHXHGKS-ZBFHGGJFSA-N 410.565 1.805 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl 509805093 MRZZOAHDUNNACN-LBPRGKRZSA-N 407.897 1.490 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 512933542 KAJXHUXBBRCBOD-QGZVFWFLSA-N 409.442 1.742 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCCC1 546091927 ISLKTANYRLWRNW-UHFFFAOYSA-N 415.512 1.546 30 10 HDEE CC(=O)Nc1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 546181788 BCUMAWRHGCQIGP-UHFFFAOYSA-N 403.439 1.562 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 549252365 DNRKVOHJUPKNKI-IBGZPJMESA-N 411.506 1.833 30 10 HDEE C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 549752660 GXLCADNSJCLTJO-SFHVURJKSA-N 423.469 1.986 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCO1 549891676 PXGPIUJIENLTEM-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccc(C#N)cc32)CC1 550153654 CQOFVAMTGFBPFA-UHFFFAOYSA-N 413.503 1.888 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCOC2)CC1 555477109 CZYQJBYUBDQSAN-KRWDZBQOSA-N 416.489 1.970 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CNC2(CO)Cc3ccccc3C2)CC1 557703791 BOOBGBSKHHGPKE-IBGZPJMESA-N 410.543 1.576 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 559003688 DTVVRELWBUHUCO-CQSZACIVSA-N 402.503 1.567 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 564384795 YUIGHFRWCHQNEO-DOTOQJQBSA-N 410.526 1.728 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 569857436 JGPRZLAZBPEQMH-KRWDZBQOSA-N 403.531 1.634 30 10 HDEE CCc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCC3)s1 586298792 NQIUKTRVQLPEEM-MHZLTWQESA-N 423.545 1.848 30 10 HDEE C[C@@H]1Cc2ccccc2N1C1CCN(C(=O)C(=O)NC2CCN(CC#N)CC2)CC1 588128096 YUDNBQUEMOFXAM-QGZVFWFLSA-N 409.534 1.533 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)CC2(C#N)CC2)c1 590378808 MYJLYYPDWXBTNV-UHFFFAOYSA-N 400.298 1.846 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 609457746 HQSCECATPAUWBO-IBGZPJMESA-N 408.506 1.765 30 10 HDEE Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)no1 611533949 HWBNSHOCCKXIOH-ZDUSSCGKSA-N 413.253 1.774 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 680938058 KWYSJBNFELBGGR-AWEZNQCLSA-N 402.322 1.653 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 729331046 IYQJQOXJDIXBDQ-CVEARBPZSA-N 408.907 1.337 30 10 HDEE C#CCN(C(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1)[C@H]1CCS(=O)(=O)C1 729331470 NQSJPHNEYUDTSO-INIZCTEOSA-N 401.488 1.435 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)C2=O 732649543 YMCNOQFWMIXTIV-ZJTDPSCFSA-N 401.511 1.322 30 10 HDEE CCOc1ccc(C(=O)NCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OCC 732679351 ZMGCKRIHMZSVOI-QGZVFWFLSA-N 400.479 1.413 30 10 HDEE CC[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccccc1OCC(=O)N(C)C 732702658 VXRZTHQGZZQHKN-IEBWSBKVSA-N 413.522 1.986 30 10 HDEE COc1ccc(CN(C)C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741339897 CFFUUTJDOOGFGB-VXPUYCOJSA-N 401.419 1.113 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2C2C[C@@H]3CCC[C@H](C2)N3C)cn1 742214018 SQXKJRXNLPVPMA-FCLJQHQZSA-N 418.567 1.986 30 10 HDEE C[C@H](CC(=O)NCCN(C)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742586445 QBNDQEKCWYDMFY-OAHLLOKOSA-N 406.552 1.884 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 745028631 KOBQENBQFUMLPR-KGLIPLIRSA-N 405.407 1.925 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C(N)=O)cc2C1=O 745785630 HNWOFMPABOGNLI-UHFFFAOYSA-N 409.398 1.837 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)Cc2ccc(C#N)cc2)cc1 747317032 IVDBIQYNCHCXHI-UHFFFAOYSA-N 411.443 1.313 30 10 HDEE Cc1ccc(F)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751683616 ARRLMXZMZMNPDB-PBHICJAKSA-N 422.526 1.922 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CC(F)F)C1=O 751922750 FNRSYGUQZCUJKI-AWEZNQCLSA-N 409.462 1.823 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2C[C@@H](O)C[C@@H](O)C2)c1 755442894 WUHZWJGMYSVSEJ-CALCHBBNSA-N 411.483 1.857 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 764539929 QQZPKUKMNKMQAL-ARFHVFGLSA-N 413.540 1.464 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCc2nnnn2C)C1=O 771543805 NOXINBCSQUQRMH-APWKGTTQSA-N 407.525 1.011 30 10 HDEE C#CCN(C(=O)Nc1cnn(-c2cnc3ccccc3n2)c1)[C@@H]1CCS(=O)(=O)C1 774058452 LVQCWBHEDRGMPN-OAHLLOKOSA-N 410.459 1.470 30 10 HDEE C#CCN(C(=O)NCCOc1ncccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774253737 UHNNSPVBTLSDLA-GFCCVEGCSA-N 405.398 1.311 30 10 HDEE COC(=O)[C@@]1(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 780969038 JZBOFRRUQAXNKX-NZQKXSOJSA-N 407.470 1.916 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 780995446 MJCJINBASVNCNG-HXUWFJFHSA-N 413.499 1.834 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 781520509 ZUGJYTRTLGVRJE-AWEZNQCLSA-N 407.409 1.020 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 783057795 QKCIKQCJDNQHGN-HNNXBMFYSA-N 416.521 1.362 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](Cc2ccccc2)n2nnnc2C)n1 790104082 JYNDHVKGAHDTQZ-FQEVSTJZSA-N 407.478 1.270 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 798036679 MUHSZDVKXXQRER-MPHOGZCYSA-N 415.490 1.868 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 800064197 SWXZEHFYKZNZNE-JKSUJKDBSA-N 410.496 1.311 30 10 HDEE CS(=O)(=O)N1CC[C@H](COC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 803866863 TZHZDUNUPAAVAY-HNNXBMFYSA-N 409.483 1.738 30 10 HDEE C#CCC(CC#C)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 807277612 VCJUXXCXJJHASL-GOSISDBHSA-N 401.507 1.720 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 856670445 IQODLUQOHNRDOG-UTKZUKDTSA-N 400.479 1.507 30 10 HDEE C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1130844304 WIZLXNVJTTVOIB-CQSZACIVSA-N 412.471 1.862 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1136764429 ZXAFXTKNKMRSAC-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1136918837 IQTOPUGQIFJSNS-KRWDZBQOSA-N 418.494 1.537 30 10 HDEE C=CCCC[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)OC 1155466980 OQGDYWYTBNWCPP-CYBMUJFWSA-N 416.521 1.397 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cn(CCO)nc3C3CCOCC3)C2)nc1 1156255260 YBEPMIYTICAUCP-GOSISDBHSA-N 424.505 1.753 30 10 HDEE COc1cccc(C[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)n2nnnc2C)c1 1168641439 ALEZUOSDQSFLAD-NRFANRHFSA-N 417.473 1.969 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)C(=O)OCC 1190403189 RBCJBGZYGHUHQH-ZDUSSCGKSA-N 408.473 1.373 30 10 HDEE C#CCN(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1190707774 MDDXMFLNLBCTKZ-MRXNPFEDSA-N 417.506 1.656 30 10 HDEE C=CC[C@H]1CCN1[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1198489612 CKIFJFAITAHXMG-WMZOPIPTSA-N 407.536 1.993 30 10 HDEE CCCOC(=O)C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)CC(C)C 1252735498 AKPMVZBRFOLBNW-BXWFABGCSA-N 413.540 1.572 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1286276707 YMESHCBZLOFVJP-GHMZBOCLSA-N 413.454 1.122 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1286277470 DCLIAKVZUJZSKV-CVEARBPZSA-N 418.567 1.655 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)CC)CC1 1286476087 NNICCAISBDCOLV-UHFFFAOYSA-N 417.535 1.144 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2ccccn2)n1Cc1nnn(C)n1 1286742699 NTTJAOUYFILGHM-UHFFFAOYSA-N 412.461 1.976 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1289950911 QLGUOAJREUPCNS-INIZCTEOSA-N 422.493 1.767 30 10 HDEE N#C[C@]1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C[C@H]2CC[C@H]1C2 1290933308 DGOOGJGJQGHYJN-NBHGPNQESA-N 417.531 1.795 30 10 HDEE COC[C@@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CN(C(=O)OC(C)(C)C)CCO1 1297057421 LXRWYQWJXKWUHQ-HXUWFJFHSA-N 423.466 1.074 30 10 HDEE CCC[C@@]1(C(=O)OCC)CCCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1297263144 IEDSJTGFLZPJFO-IBGZPJMESA-N 407.492 1.561 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300268088 MVQGUWSUWZFETI-MSOLQXFVSA-N 402.543 1.329 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1300497252 AEDNQYKMXUZFNP-OAHLLOKOSA-N 408.474 1.988 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300752135 WJKPVWAGABQBPG-AWEZNQCLSA-N 413.503 1.707 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1300830365 FZACRJZDFDCPMK-QWRGUYRKSA-N 408.322 1.022 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1301491558 LBXUNEXWVTXSJP-GOSISDBHSA-N 421.505 1.471 30 10 HDEE N#CC1(CC(=O)N2CCn3ncc(I)c3C2)CCOCC1 1303995565 DMYWFMCRZWEZPN-UHFFFAOYSA-N 400.220 1.540 30 10 HDEE Cn1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(-c2ccncc2)n1 1306893343 UPVPQEKZESVFMZ-UHFFFAOYSA-N 405.414 2.000 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)cc1 1307544403 UQQQHLZURFVBRU-IBGZPJMESA-N 420.579 1.336 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OCC 1309807666 VBLOCHUGISZPRQ-MRXNPFEDSA-N 416.521 1.304 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 1313220153 TYXPRESOFANRFN-HNNXBMFYSA-N 421.523 1.366 30 10 HDEE CCN(CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1313666913 YPDQZBYUCXDPIA-XSLAGTTESA-N 406.531 1.461 30 10 HDEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1314930172 CEIVZGSDIZFVOP-UWJYYQICSA-N 419.549 1.640 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1315042336 GZUSZEHTLJDFND-LPHOPBHVSA-N 423.521 1.110 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1315694624 DSZIPGSVQWRZAA-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1359009885 BELOMMBLELSPAR-OAHLLOKOSA-N 407.515 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1359018684 YVXPQIFXUMJOLT-QZTJIDSGSA-N 423.583 1.692 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1COCCO1 1359026123 LLGSYXGXOJUGPY-SFHVURJKSA-N 409.490 1.852 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOCC)CC1 1359056985 PNJYCZIJAPHLHM-GOSISDBHSA-N 407.584 1.697 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1359475418 KGDJYJBZTJNOCN-CVTQAYBASA-N 420.477 1.386 30 10 HDEE C#C[C@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)[C@H]1CCCO1 1435965061 GYNDOXQTKBOLOJ-DOTOQJQBSA-N 418.291 1.817 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1439106443 QCWLLRSVQIBUEN-LLVKDONJSA-N 400.298 1.261 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(OCC(F)(F)F)nn3)cc2)c1N 1453169351 ZMPCRUYOHLZXKM-UHFFFAOYSA-N 417.351 1.987 30 10 HDEE CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 1454151465 IWQWOMBPTLQASN-JYRCXFKTSA-N 400.460 1.945 30 10 HDEE C#CC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCCC1 1455184964 HOHAEQJAYMYBSY-PMPSAXMXSA-N 410.536 1.719 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@@H](c3nc(CC)no3)C2)cc1 1456719416 FKTLWOLFWUVKKV-HUUCEWRRSA-N 402.476 1.610 30 10 HDEE CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)C(F)F 1457864795 WMGCDAGUELHVEI-HZPDHXFCSA-N 415.462 1.480 30 10 HDEE N#Cc1nn(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1[N+](=O)[O-] 1459186556 QWKMEICFEMDYJR-UHFFFAOYSA-N 406.805 1.800 30 10 HDEE N#Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)nc1 1459345378 IDJZBOPBYLZAFU-GOSISDBHSA-N 407.474 1.400 30 10 HDEE COCCOCCN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1460337373 XASNJCVPUTZFFI-OAHLLOKOSA-N 406.552 1.716 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCC1)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1460557690 LBVFVWWQZOKDIX-CYBMUJFWSA-N 400.433 1.914 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2COc3ccccc3[C@@H]2O)s1 1468616017 JJCHYOHJNRGHLT-KSSFIOAISA-N 408.501 1.366 30 10 HDEE C=CCc1cc(C(=O)N2CCN(C[C@@H]3CCCS3(=O)=O)CC2)cc(OC)c1OC 1470815655 IHCGXLGPNHQECO-SFHVURJKSA-N 422.547 1.767 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)C1CCOCC1 1470866626 URXHZSFJTGLQCK-DYESRHJHSA-N 407.511 1.836 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1503671586 BEOQQNUGALAASY-JOCHJYFZSA-N 421.505 1.500 30 10 HDEE COCCOCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505043714 GGFRFJVMXHUCMG-RBUKOAKNSA-N 418.542 1.749 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1505135186 PTJMLXYBWDUXCX-SFHVURJKSA-N 407.471 1.448 30 10 HDEE C#CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507573849 JTDYPZNYQSJJEB-VQIMIIECSA-N 410.540 1.357 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](NC(=O)CC)C2)nnc1[C@]1(OCC)CCOC1 1507600392 YSGFSGWWOUKMOL-UTKZUKDTSA-N 403.527 1.839 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1507631008 AYQHGJWWOUYIFQ-HOTGVXAUSA-N 419.551 1.087 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1507653888 SHGVZELRLPCOGJ-ZACQAIPSSA-N 405.524 1.045 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CC1 1507731541 LEOBWQRQRMVFIL-KRWDZBQOSA-N 419.576 1.240 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507743856 LNRNCDJUJYOGMM-GOSISDBHSA-N 418.611 1.902 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCC(OCC(N)=O)CC1 1507748848 SDAGQLQSMGYPKD-UHFFFAOYSA-N 417.510 1.921 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1507771583 CJLMCLWGNCTLBA-WAOWUJCRSA-N 419.595 1.904 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@H]2C1 1507783127 CDYRCHSWLVWHLG-HUUCEWRRSA-N 412.332 1.602 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1507947054 YXIIVACEJYRURU-QGZVFWFLSA-N 421.505 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)CC1 1508082996 YHETVWPZIACCJV-UHFFFAOYSA-N 402.886 1.569 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC=C(COC)CC1 1508136750 HDXCFXYBXCZEDN-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE COCc1nn(C)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1516183224 BTYQBOMREGJBPI-HEHNFIMWSA-N 405.480 1.632 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn3c(n2)COCC3)c1 1516183592 FKOBJXQPMRMKTF-LTGZKZEYSA-N 403.464 1.478 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CCO1 1521128362 CAWMLEQLNNTUDD-WBVHZDCISA-N 419.482 1.291 30 10 HDEE C#CCOCCC(=O)N1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1523329436 PHEDBPOPZOZLDG-OWCLAAJJSA-N 400.519 1.679 30 10 HDEE COCC[C@](C)(C#N)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1525605832 CCFZWGBNZWJYGW-AUUYWEPGSA-N 406.487 1.899 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)cc1 1533414107 SLUNPUMXNVFFLD-HSZRJFAPSA-N 421.453 1.791 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1539072662 TXXBYAOQMVGADX-QGZVFWFLSA-N 407.540 1.042 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539212152 SOFRCMZFRDWRNQ-JFIYKMOQSA-N 415.519 1.392 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539219180 BJGULLCWYXBHRY-INIZCTEOSA-N 421.567 1.335 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccsc2)CC1 1539447304 QERUSPYNVSHIJS-UWJYYQICSA-N 415.563 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)NCCC)CC1 1539484511 RTXKKAXGUBWKTH-UHFFFAOYSA-N 414.554 1.503 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCO[C@@H]1CCOC1 1539533589 RYODZJHXHXWBDV-DYESRHJHSA-N 401.511 1.702 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540026383 FFJKHXYHXUWVNR-NVXWUHKLSA-N 403.483 1.237 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1540777790 LZTREOKEJZVHTR-LBPRGKRZSA-N 414.325 1.651 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1540906901 GFDKSXUYSYKUDY-GOSISDBHSA-N 407.584 1.896 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](C2CCOCC2)C1 1540908437 VXUAILBVADHGTQ-QZTJIDSGSA-N 424.567 1.983 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C 1542624441 DCNSLOJAMQCEHQ-WMLDXEAASA-N 403.479 1.852 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)NCCC)CC2)s1 1543066599 HNVBXHTXTBGOTH-UHFFFAOYSA-N 413.565 1.520 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1545546043 JGHZXBDMOPZICX-NVXWUHKLSA-N 424.571 1.029 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C[C@@H]1C 1554558463 GEFDXGFHRDQAPE-HNNXBMFYSA-N 420.477 1.875 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC2CC2)CCO1 1555996106 WTCKXKQOTGNROP-MRXNPFEDSA-N 421.548 1.484 30 10 HDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CN(C)S(=O)(=O)N(C)C 1557336712 FJMVRQWNHNDKQX-UHFFFAOYSA-N 403.464 1.731 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 1557621914 ITCTYQPVEUANFD-ZBFHGGJFSA-N 416.503 1.386 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1564010729 OPYSYYJYVQKYRQ-QGZVFWFLSA-N 403.479 1.382 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)no2)cc1 1569253745 QDXQNJKOXCFPNN-UHFFFAOYSA-N 400.254 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1 1587656889 MVOWTBZKWQKEPL-RDJZCZTQSA-N 401.536 1.883 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587851326 IAIDIADOBKMKHW-GOSISDBHSA-N 412.538 1.872 30 10 HDEE C#CC[C@@]1(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)CCCN1C(=O)OC(C)(C)C 1588125608 AMBLNDLFGVXXBO-SFHVURJKSA-N 417.428 1.916 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC)C1 1588219421 SOHRSRYUNKUTBU-QGZVFWFLSA-N 408.506 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1588224331 WNUVNUWVEUSPLZ-SFHVURJKSA-N 410.522 1.485 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1588265746 GOGSMYQOTQHXOW-JXFKEZNVSA-N 419.551 1.646 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1588388229 ZAWZBOZGEXJKBM-OAHLLOKOSA-N 407.565 1.956 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1588445140 HEZHBONLNIEAAM-KRWDZBQOSA-N 424.505 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCO[C@@H]1C 1588619662 AQFIISMNYSNFES-IIBYNOLFSA-N 400.479 1.580 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnc3n2CCC3)CC1 1594193087 OCFGOTZOKSJFSM-OAHLLOKOSA-N 401.515 1.991 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1 1595229044 MEQPPBUOYFRXEU-UHFFFAOYSA-N 406.494 1.860 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595544972 OTEBARPLTAVOEV-ULQDDVLXSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1595545006 PKAGOSJQDLAJTM-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 1595790235 JRZJVVWZANSESO-INIZCTEOSA-N 413.337 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@]1(OCC)CCOC1 1595831566 SFLYLHMYZVQBGN-QINHECLXSA-N 424.567 1.766 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1597332466 NTFYFUZLYUIAIM-AWEZNQCLSA-N 407.854 1.483 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(I)cc3)C2)c(=O)nc1O 1607490318 WIGDEKTVOBEGIG-UHFFFAOYSA-N 422.182 1.122 30 10 HDEE CC1(C)CN(CCn2c(-c3cnccn3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1611767108 HJSVQXXKDCFUAV-NRFANRHFSA-N 410.526 1.976 30 10 HDEE N#CCC1(O)CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1616733564 RGGAALIJOOPLJD-UHFFFAOYSA-N 405.252 1.007 30 10 HDEE CN(CC1CCCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1618081648 NVAJMOXAPFBILB-ZZEZOPTASA-N 424.509 1.831 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2cc(F)cc(C#N)c2)CC1 1621730858 FBDGJTGQGOCQOI-UHFFFAOYSA-N 416.478 1.844 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)n1 1622097092 MYMXJIJENBUWPF-UHFFFAOYSA-N 409.439 1.661 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1625188149 LSVKCOTYUOIWPE-UHFFFAOYSA-N 408.524 1.575 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cc1ccc(S(=O)(=O)NCC=C)s1 1626273356 RZSNGQAUSMKLEC-UHFFFAOYSA-N 417.512 1.757 30 10 HDEE C#Cc1cccc(N(C)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c1 1628219126 SIHSJRTZQYOLGQ-UHFFFAOYSA-N 405.863 1.362 30 10 HDEE CON=CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1632242634 GQTRVPQVCYSHHB-AAEUAGOBSA-N 405.348 1.830 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Cl)cc(Br)c2F)c(=O)nc1O 1633550634 VYMGYLKGKSIMFL-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)C1 1635063602 YYPIKXVIBTXCEO-INIZCTEOSA-N 412.943 1.324 30 10 HDEE N#CCc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1635702890 FDWADUOYQXYCKD-UHFFFAOYSA-N 401.444 1.831 30 10 HDEE CN(C)C(=O)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1637965467 CEXWHJBNKCRPFM-SDMXJPDVSA-N 404.511 1.710 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)NC)ccc2Br)CCOCC1 1638615404 IBISGYHYTQTZOO-UHFFFAOYSA-N 415.309 1.660 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)c1c[nH]c(C#N)c1)OC2=O 1638705510 HBNRSUFHAKROFX-OAHLLOKOSA-N 402.451 1.949 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1639270364 VMWGHWDXCNLKSY-JLSDUUJJSA-N 402.495 1.869 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@H]2CCN(c3ccccc3Cl)C2)c(=O)nc1O 1640255581 FJZLJHBWUKNKNF-CYBMUJFWSA-N 401.854 1.507 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nnc(O)n1C 1640331495 SYXINECIGWDGIS-MQGAHJBISA-N 404.471 1.485 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@@H](CC#N)C1 1645300938 HNHAACDFMHGVKM-WMZOPIPTSA-N 421.519 1.868 30 10 HDEE C[C@@H](C(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2)n1cnc(C#N)n1 1645863783 SAIOZDHZHFYILU-GJZGRUSLSA-N 418.498 1.633 30 10 HDEE COC(=O)[C@@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1648149063 VAXUVALWQJNZGX-OAQYLSRUSA-N 414.437 1.653 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)s1 1648295592 MOTLMSCQTGDEPW-UHFFFAOYSA-N 422.557 1.855 30 10 HDEE C#CCN(C(=O)[C@H]1CCc2nnc(O)n2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385815 XKDSBGKUIDDYBJ-AWEZNQCLSA-N 403.483 1.407 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(N[C@H]4CCOC4)C3)C2)C1 1652691273 YKPNLSNSVLBODJ-AQZMIJIOSA-N 404.511 1.363 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 1654130667 CGOLQIOSGSSPCK-UHFFFAOYSA-N 405.464 1.407 30 10 HDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)c1 1661535486 HOQOSGDXOIXCAF-IBGZPJMESA-N 421.457 1.721 30 10 HDEE C=CCN1CCC(NC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CC1 1678390679 KJPRWYRJQBRZEO-XJKSGUPXSA-N 409.474 1.788 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)O2)C1 1681435146 SQPDWHRCZVHRBH-ARFHVFGLSA-N 408.499 1.773 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1682362339 YINADGJYVWHNOV-ROUUACIJSA-N 400.527 1.353 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1682794058 BNSMREOGPZQLPS-VGWMRTNUSA-N 400.445 1.382 30 10 HDEE CC(=O)NCCN(Cc1ccc(Br)s1)C(=O)NCC#CCN(C)C 1685772231 DVBRXTYNOGSNII-UHFFFAOYSA-N 415.357 1.723 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)cc1 1686548129 DHBPHCCLBHNQEM-IBGZPJMESA-N 412.534 1.927 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCSC1 1690022797 SFBCOEPGHYTFDS-OAQYLSRUSA-N 406.515 1.457 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1690169633 JDEMJGVRUQCKTP-UHFFFAOYSA-N 408.553 1.000 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690198338 KYCZZIZOIREDNV-MOPGFXCFSA-N 404.492 1.388 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690231624 IQQAMFCJRBGTOC-LSDHHAIUSA-N 423.359 1.982 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@H]1C 1690232143 AFKKINKQDTUKQN-CQSZACIVSA-N 422.331 1.715 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCNS(C)(=O)=O 1690335764 JFTNVJDXYDZZFA-UHFFFAOYSA-N 405.311 1.731 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690342240 GKBDODPGJMMOPP-HOTGVXAUSA-N 419.917 1.700 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1691363555 BXRSWFFUFFFGPU-QFIPXVFZSA-N 410.522 1.889 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCC(C)C)CCOC1 1696098834 WEZGTVYSKQBIIN-FXAWDEMLSA-N 407.515 1.722 30 10 HDEE COc1ccc(-c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)c(OC)c1 1697381621 UQRXOMVZPOWHFG-UHFFFAOYSA-N 422.445 1.802 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1705498882 GBWTZJUIVJJVMS-CYBMUJFWSA-N 408.553 1.127 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(C)COC2)c1 1705505946 WRIWOHUNENGYII-UHFFFAOYSA-N 419.489 1.771 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705539992 JRUPRISYROYEOF-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1705570117 MVZCMVDSJSITRO-FXAWDEMLSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1705598314 HBADCNWRYOQOIX-CVEARBPZSA-N 417.560 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCC[C@@H]2C)CC1 1705635319 WCBPHCQCYLKQTP-RBUKOAKNSA-N 404.559 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccccn2)CC1 1705648757 YIGDSHFVQQWXBY-LJQANCHMSA-N 422.533 1.776 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2oncc2C1 1705667862 WVUHPXLFLVANPT-YOEHRIQHSA-N 403.508 1.919 30 10 HDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705728395 JCDQITZZOOIDCN-OAQYLSRUSA-N 415.542 1.955 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1705734019 AOPQRMIIJXTRKM-UHFFFAOYSA-N 405.524 1.946 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)C(=O)C1 1705794696 QQCHGSOMHXETHY-UHFFFAOYSA-N 400.527 1.814 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705896892 BDOYWFHBWXAJLL-IPMKNSEASA-N 422.533 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705903193 NSNNHFBHHILISS-KRWDZBQOSA-N 411.466 1.460 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1712617081 RXSGGXHTEZPZPE-HXUWFJFHSA-N 421.505 1.656 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1722299717 RWJOJYBHRCUMOZ-JKSUJKDBSA-N 416.551 1.448 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)N(C)C)c1 1722306359 KAODODISBDXYCU-QGZVFWFLSA-N 410.478 1.274 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1722458490 LGIQMVUEJGDTJU-MRXNPFEDSA-N 418.567 1.338 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)CC1 1722560117 PVAPUUXXETYUQJ-PTFIGZPYSA-N 417.601 1.592 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCC1CC1 1722693226 HJAWXEOJVITCOQ-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2cccnn2)CC1 1722725868 SHFSWQKIGFLDFV-UHFFFAOYSA-N 405.528 1.119 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1726802074 MMBXWRDMSTVIRE-GUYCJALGSA-N 423.315 1.936 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1728805209 OPRCWBARVMEVKB-PWRODBHTSA-N 416.526 1.539 30 10 HDEE CN(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1729316351 GCOSDWWMPQSCKB-HZPDHXFCSA-N 413.482 1.139 30 10 HDEE COCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1730757927 JXAUJHUKMLDJHP-UHFFFAOYSA-N 424.505 1.538 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740532089 CAHJAVFDNBLKPT-OLZOCXBDSA-N 411.478 1.867 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccc(F)cc12 1740601837 ZWXHCYDLZMHNPV-ZDUSSCGKSA-N 418.498 1.821 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1740672634 NWEHGZODKHYOQM-UHFFFAOYSA-N 424.530 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCC[C@@H]2CC)CC1 1740695245 KDENXURSKUIFRO-FQEVSTJZSA-N 410.570 1.698 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H]2CCC(=O)N2)CC1 1740698427 FFEOJESSRYRGEB-LJQANCHMSA-N 422.533 1.106 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1740891504 CMUCVIUQVYHOJP-IBGZPJMESA-N 403.487 1.152 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C)n3)nnc2N2CCC(C#N)CC2)CC1 1741057959 GKJNUBPBNBNBIT-UHFFFAOYSA-N 422.537 1.553 30 10 HDEE Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1742270976 CNFXEHZMCKXDNN-HNNXBMFYSA-N 406.446 1.990 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)CC 1743743540 FYMULAQSEDRABA-MRXNPFEDSA-N 410.526 1.863 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1 1744515421 CMSGATGICOWCDP-OAHLLOKOSA-N 408.510 1.919 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCOC 1748092611 CVFMZRYDSRBLQG-UHFFFAOYSA-N 400.483 1.584 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1748818078 VGDPAQBHQUIBMT-ROUUACIJSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1748848348 BTGCAIUKJFZSBL-HXUWFJFHSA-N 419.529 1.745 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1748859659 JEKPRSAADYWVRH-IBGZPJMESA-N 421.501 1.853 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(=O)NC(C)C)CC1 1749009517 CEMLPKUYSHEJMQ-UHFFFAOYSA-N 408.506 1.436 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1749667058 RVLLBEUVPINLID-QZTJIDSGSA-N 415.586 1.453 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2Cc2ccccc2S(=O)(=O)N(C)C)C1 1749697690 MMUTZYPQKJBTOK-QGZVFWFLSA-N 405.524 1.666 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750386021 FYPMBCKRZPUATO-CABCVRRESA-N 414.432 1.537 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1751285798 ZXPBYJCCJAPMOY-INIZCTEOSA-N 407.478 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1760193140 UZFWMFCYIWTKMR-UHFFFAOYSA-N 410.522 1.236 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CC(=O)N1CCOCC1 1760198509 JWHIXCMNDMQLDR-UHFFFAOYSA-N 415.856 1.669 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)OC)CC1 1760402092 GWTSHUAJPCCPIZ-GOEBONIOSA-N 413.544 1.048 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1760514351 CDDQVRDSNBEZOJ-AOIWGVFYSA-N 405.543 1.878 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1760522343 RHVTWWDXQOUQHR-UHFFFAOYSA-N 402.478 1.035 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1760936538 ZCWHVHPWXBBUFH-NCJSADBTSA-N 402.499 1.789 30 10 HDEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1761394265 VHGHLMFOFCSAQL-BEFAXECRSA-N 424.509 1.980 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCSC1 1761492318 BUELGGGMSWUMKU-ZQIUZPCESA-N 412.585 1.771 30 10 HDEE COCCOC1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1771232349 SEVNCKRZNVUQCL-HZPDHXFCSA-N 420.514 1.180 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1771535516 PUMLTJXIYPUXRQ-IAGOWNOFSA-N 407.540 1.879 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCOC2)CCO1 1771539270 SHJQLYWCBZNGIT-KGLIPLIRSA-N 402.480 1.035 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@@](OS(=O)(=O)C[C@@]34CC[C@@H](CC3=O)C4(C)C)(C2)[C@H]1N 1772502506 WSWIXQJVPSZGFH-CHIZUDARSA-N 413.536 1.787 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C(=O)ON3C(=O)c4ccccc4C3=O)(CO1)C2 1772794004 XJEMRNZAHQRLKY-UHFFFAOYSA-N 402.403 1.815 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@@H](C#N)CC2=O)c1C 1848781024 CTYSADVNFAAWFF-SJORKVTESA-N 403.504 1.972 30 10 HDEE C[C@@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)n1nnc2ccccc2c1=O 1850064655 LDKLKPVUIFWJLF-HNNXBMFYSA-N 417.473 1.652 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)NCCN2CCN(S(=O)(=O)C3CC3)CC2)c1 1850190979 RUGKNHKLVQFGFK-UHFFFAOYSA-N 410.927 1.246 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NCC#CCN3CCOCC3)CC2=O)cc1Cl 1850690756 DNNJJQWYGAOONG-OAHLLOKOSA-N 405.882 1.153 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CCS(=O)(=O)C3)cc2)c1C(F)(F)F 1852142037 QJHXYNKCZARXBG-LLVKDONJSA-N 412.393 1.927 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cnn3ccncc23)cc1 1852197336 JZLUKFJNYVWXBJ-GOSISDBHSA-N 407.430 1.538 30 10 HDEE CCOC(=O)C1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccc(OC)cc2)CC1 1852794712 CFWIZEUPWYUKTN-UHFFFAOYSA-N 411.462 1.966 30 10 HDEE COC(=O)C1=C(NC(=O)[C@@H]2CN(C)C=N2)c2ccccc2[C@]1(C#N)c1ccccc1 1852917645 QNOFFFGQZQHBDP-MBSDFSHPSA-N 400.438 1.852 30 10 HDEE Cc1cccn2cc(CC(=O)OCCN3CCN(c4ncccc4C#N)CC3)nc12 1853018753 PHVKIKDAKBIFDA-UHFFFAOYSA-N 404.474 1.817 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@H]3CN4CCN3CC4)cc2)c1C(F)(F)F 1853061750 NKASPKSQLPDZGX-INIZCTEOSA-N 404.396 1.492 30 10 HDEE CO[C@H](C)C(=NOCCN1CCN(C)CC1)NS(=O)(=O)c1ccc(C)cc1C 1853476189 JGSDBWIJYOWSKU-QGZVFWFLSA-N 412.556 1.194 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N(C)C)c2ccc(F)c(F)c2)CC1 1853601319 KZUWKLQOKADEMG-UHFFFAOYSA-N 401.435 1.759 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)s1 1853607354 BUUDZPBZZKVFDY-KBPBESRZSA-N 402.520 1.826 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2=O)cc1 1854247083 VDOGCIHPZAJAFT-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1854313893 YKUPVZRBMQNJGZ-QAPCUYQASA-N 423.510 1.614 30 10 HDEE Cn1cncc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1854340689 CYJSYGCOPGCKJQ-INIZCTEOSA-N 406.490 1.945 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H](N2CCN(c3ccc(OCC)nn3)CC2)C1=O 1854467137 YKUOTTNHSCGXMU-QGZVFWFLSA-N 401.511 1.871 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3CCCC3=O)C(=O)C23CCCC3)s1 1855625983 ACHBDZTXDKLVHR-UHFFFAOYSA-N 400.504 1.726 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)ccn1 1855921552 YUVORIHZNVMVBK-VQIMIIECSA-N 407.478 1.478 30 10 HDEE CC#CCSCCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1855985781 GMVFWBMOTJTWCH-GFCCVEGCSA-N 402.460 1.395 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnoc2C(C)C)C1)[C@H]1CCN(C)C1=O 1857074431 JDPFEGVSXLCATH-RDJZCZTQSA-N 402.495 1.896 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1857293817 DIAMUFKKEOMENV-MRXNPFEDSA-N 409.895 1.477 30 10 HDEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN(CCOC)CCOC 1870444857 JFQBJCYXIYYUGT-UHFFFAOYSA-N 410.511 1.850 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN1CCOCC1 1870748018 VKXXCZRBIXFQAP-UHFFFAOYSA-N 413.474 1.893 30 10 HDEE C=CCn1c(C(=O)NCCO)cc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21 1873595575 JFRWVNQYPYWDEX-UHFFFAOYSA-N 424.480 1.805 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874338975 DSOKGKVIMVNIID-PFHXIJNMSA-N 405.480 1.380 30 10 HDEE COCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccc(O)c(O)c1 1874501138 RVQUHQXIJFKUJG-DNTJNYDQSA-N 417.447 1.719 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)c1 1891126504 TYWJUEJJRWVVOC-HOTGVXAUSA-N 411.487 1.864 30 10 HDEE C[C@@H](C(=O)NCc1ccccc1)S(=O)(=O)OCCN1C(=O)c2ccccc2C1=O 1923708534 KWRMJPZHMQHBCT-AWEZNQCLSA-N 416.455 1.334 30 10 HDEE C=C(Br)CS(=O)(=O)NCCN(C[C@@H](C)O)C(=O)OC(C)(C)C 1962344697 IIGQMSRROOFASH-LLVKDONJSA-N 401.323 1.432 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 2010356588 TYRAENYADJCORH-GFCCVEGCSA-N 404.305 1.821 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]cc1C#N 2066529948 TYURZXNCWVLIEQ-SFHVURJKSA-N 402.407 1.141 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CC[C@H](C#N)C2)C(F)(F)CC1 2174780081 QBFKRDPMLXQMFD-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE C#CCN(C(=O)[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180137585 NGPYCDLLGKGQAP-GJZGRUSLSA-N 416.565 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247811919 MCIZORJMEYMBCB-CVEARBPZSA-N 420.315 1.858 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)n1 2247910964 QXNXVDDDBWIVRW-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2247914518 MCNCWKMPABLZBK-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2255647919 FWDVVDOFVMEKPN-FUHWJXTLSA-N 424.354 1.970 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCCCN)c(Cl)c2)OC1(C)C 2267719743 IEWLMMYCHKYUDP-UHFFFAOYSA-N 409.144 1.920 30 10 HDEE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282011986 PLOLQLMCZYJMEK-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1N 2282333244 LXVFYGVIIDFMIJ-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CN(C[C@@H]1OCC[C@@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337868 JYNQLRYIWANCJK-RYUDHWBXSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)CCCCN)s2)OC1(C)C 2282343036 BPQFJTILMRYMOB-RUZDIDTESA-N 422.403 1.573 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](N)CC2)OC1(C)C 2282495251 JYTLSZBLKHCCGT-AWEZNQCLSA-N 400.375 1.690 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H](CO)O1 2282629495 WNWPNJZQCXCGEV-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282828612 RJWBZSHZICHAMK-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE C[C@@H]1CO[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838547 PZLGVILGWKYKQG-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CCN(C)C)c1B1OC(C)(C)C(C)(C)O1 2282872110 QPKSYWKIORCGFS-UHFFFAOYSA-N 402.391 1.846 30 10 HDEE C[C@@H](O)[C@H]1CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876128 YOVSNJQODDTPAT-BXUZGUMPSA-N 401.721 1.783 30 10 HDEE CO[C@@H]1C[C@@H](CF)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282880033 CEELDXJDKHGDFO-NWDGAFQWSA-N 405.322 1.795 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284395348 KHAZCDHZUKFKEC-NSHDSACASA-N 403.331 1.969 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284396097 SKQVQRUCGPXSHO-GFCCVEGCSA-N 401.677 1.557 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NS(=O)(=O)C3CC3)c(Cl)c2)OC1(C)C 2284396365 VGKCDXNRBDXYTL-UHFFFAOYSA-N 421.733 1.410 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C(=O)O 2284401084 DMIPBWSIHAPMJO-ZWNOBZJWSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3C[C@H](C(=O)O)C3)c2)OC1(C)C 2284416223 VOVRGCSKRAIBHH-XYPYZODXSA-N 401.315 1.436 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286862716 RJTMROYSMOUETR-VXGBXAGGSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360572080 OQYQMVGDAWKYFJ-LBPRGKRZSA-N 401.230 1.853 30 10 HDEE Cn1cc(I)c([C@H](C#Cc2nccs2)OCC(=O)O)n1 2363664108 IRHPLUWZGYOJDV-VIFPVBQESA-N 403.201 1.675 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365170192 JQKJDURCYZCODJ-KUHUBIRLSA-N 401.525 1.780 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 2365195916 GWQUWPNYDHMELE-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367806488 KYKNIOHGSOWURV-HRLGVUPISA-N 400.541 1.291 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2367808689 FTDPGDWYHZPHJY-IFXJQAMLSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C(C)(C)C1 2367813440 DHYDANGBNGMPKC-KUHUBIRLSA-N 400.541 1.292 30 10 HDEE COc1ccc(C(=O)ON2C(=O)CCC2=O)c(OC)c1I 111431720 FPAFZUROVXTCGQ-UHFFFAOYSA-N 405.144 1.529 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1)n1cnc(C#N)n1 409597143 VDYIOIGAVRDHPS-CABCVRRESA-N 406.450 1.666 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3snc(C)c3C#N)CC2)cc1C#N 461197187 PZJRMBRUOICIOP-UHFFFAOYSA-N 400.489 1.980 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCS(=O)(=O)c1ccccc1 465161279 AQOMLLJLECDLNC-HNNXBMFYSA-N 414.491 1.042 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccccc3Cl)C2)CC1 466003804 CGEJIGMMLKJQIY-KRWDZBQOSA-N 419.957 1.938 30 10 HDEE COc1cc(S(=O)(=O)Nc2c(C#N)c(CCCNC(C)=O)nn2C)ccc1F 469056542 WECSSHODUVZEIK-UHFFFAOYSA-N 409.443 1.309 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](OC(C)C)c2ccccc2OC)CC1 474141790 LAFYXOKQCIPJQC-FQEVSTJZSA-N 418.538 1.791 30 10 HDEE CC(C)[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)N(C)Cc1nnc2n1CCC2 480616882 WPTKIVITXDGNTJ-KRWDZBQOSA-N 422.555 1.211 30 10 HDEE Cc1nc([C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C2CC2)no1 497557157 UCFBLZLYUUAXFC-VOJFVSQTSA-N 403.464 1.358 30 10 HDEE CC1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 504008580 IJBQJNKBOPZGNE-KRWDZBQOSA-N 420.535 1.979 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 504021957 RURYETBKHRJEEO-UHFFFAOYSA-N 400.523 1.660 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 532977497 NWMFFOORWOBIQJ-UHFFFAOYSA-N 410.496 1.326 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1C 538142252 ZIZDCDCERVYBNY-UHFFFAOYSA-N 416.503 1.831 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 549234169 HYBDNYAJAZCBIN-FUHWJXTLSA-N 408.520 1.448 30 10 HDEE Cc1cc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)ccc1C#N 549520943 ZAFHRVGZBLBACJ-LJQANCHMSA-N 406.534 1.803 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccc2)CC1 558942824 VLOYIKCPBVZQNM-FQEVSTJZSA-N 424.549 1.449 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CCSCC 571843301 ZHSUAANQMDGLLU-LSDHHAIUSA-N 417.601 1.765 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc(Cl)ccc2OCC(N)=O)ccc1C#N 577545966 NYFPDSWWDSAORS-UHFFFAOYSA-N 409.851 1.563 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 603799740 VMGFPKYJHSCAQP-KRWDZBQOSA-N 409.511 1.203 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)CC1 605405697 FIPXOZSUPZULOE-UHFFFAOYSA-N 412.498 1.039 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)CC1 609459000 NEOOEYJBHCAQQL-INIZCTEOSA-N 421.461 1.394 30 10 HDEE N#Cc1cc2c(nc1NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)CCCC2 614298869 VJHIEOXMKHVNSN-UHFFFAOYSA-N 416.459 1.698 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)NCCC3CS(=O)(=O)C3)ccc21 615858026 CCKOPLNRWIQKPL-UHFFFAOYSA-N 404.492 1.826 30 10 HDEE C=CCOCCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCCCC2)Oc2ccccc21 679532352 PMWQEDASSIOZQM-SFHVURJKSA-N 401.463 1.112 30 10 HDEE CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 731861035 GVYCNGSXFWOFHX-BQOWYSNXSA-N 420.491 1.020 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735223696 FYORYQPKPCNERS-INIZCTEOSA-N 422.507 1.061 30 10 HDEE CC(=O)N(C)c1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 735663310 VBDSUEKOQNNHQE-UHFFFAOYSA-N 400.460 1.737 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](C(=O)OCC)c2ccccc2)c1 742106253 QSJRYWPWOIOGFI-LJQANCHMSA-N 414.483 1.675 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 744895908 XYBHPXYYHXIZFC-ZUZCIYMTSA-N 421.397 1.975 30 10 HDEE CN(C[C@H]1CCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)OC(C)(C)C 745812832 DSERHCZPXMBMII-UVTIVQHFSA-N 421.498 1.554 30 10 HDEE CCc1c(C(=O)OCCCOc2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754351549 SAVRKVUPNPUNNW-UHFFFAOYSA-N 422.441 1.692 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCCOC)cc2)c1=O 758050992 VTFBSWPATSSUEF-UHFFFAOYSA-N 422.506 1.440 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 765964023 CSQDHUNADCUBCN-UHFFFAOYSA-N 409.471 1.356 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C[C@H]1CCCO1)[C@H]1CCSC1)c1cc[nH]n1 772232718 ZAKKLSFUFPIQTL-UONOGXRCSA-N 410.496 1.207 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(-c2ccccc2)c1C 790742727 KVFYPVXFMFIIAN-UHFFFAOYSA-N 410.430 1.306 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC#Cc2ccccc2)[C@@H](C)O)cc1C 791243883 XMNFFQJKZZSKRN-XLIONFOSSA-N 401.484 1.926 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](C(F)(F)F)C3(CCC3)C2)c1=O 800864603 XKZSYDHNUVGYHY-AWEZNQCLSA-N 414.428 1.556 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1 809357954 OOKONUGRVOYVFN-UHFFFAOYSA-N 400.460 1.031 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 811019532 ILJRNRFLZRISLJ-PLNGDYQASA-N 408.480 1.034 30 10 HDEE COCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 812103322 LPDZWTFCUISIHX-HUUCEWRRSA-N 408.503 1.829 30 10 HDEE C#CCONC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 812780859 AAENQCACLIUGAU-OAHLLOKOSA-N 400.460 1.404 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(F)cc1 812887765 NJMWXOCMVODVRB-LJQANCHMSA-N 423.510 1.772 30 10 HDEE CC(=NNc1ccc(S(=O)(=O)N2CCCC2)cn1)c1ccc(S(N)(=O)=O)cc1 914698667 KXAKMQKXGZVVME-UHFFFAOYSA-N 423.520 1.350 30 10 HDEE C[C@@H](Sc1nc(CC(=O)Nc2ncc3c(c2C#N)COCC3)cs1)C(N)=O 1129873340 MDKHVLCVWAQPCJ-SECBINFHSA-N 403.489 1.630 30 10 HDEE Cc1c(NC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)ccc(Br)c1C#N 1129955104 QTYNZBHPHATSIN-VIFPVBQESA-N 405.212 1.581 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)c2ccccc2C(=O)NC)ccc1F 1133455175 CTPREONEUNNZPO-UHFFFAOYSA-N 405.451 1.926 30 10 HDEE C[C@@H](C(=O)NC1CC1)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1135920815 AYIICCAAQHQDJQ-ZDUSSCGKSA-N 419.323 1.675 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1140627275 RHNGOIHQLYHMSR-GJZGRUSLSA-N 416.927 1.854 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1nccc2c(S(N)(=O)=O)cccc12)C(=O)OCC 1151573222 CDHBDFSTXRAIJQ-ZDUSSCGKSA-N 411.867 1.686 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([C@H](O)c2ccnn2C)CC1 1167670541 GQMWUNRMXBEYLX-NRFANRHFSA-N 421.505 1.856 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2csc(-c3ccccc3)n2)CC1 1207422062 WZVDOAKKMVOPBL-UHFFFAOYSA-N 405.505 1.427 30 10 HDEE CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCC(C#N)(C(=O)OC)CC3)ccc2O1 1211839490 DOPRVJLNTFNPTF-MRXNPFEDSA-N 422.459 1.021 30 10 HDEE CS(=O)(=O)Cc1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1F 1215771465 CGHJRBWIBWCSJO-UHFFFAOYSA-N 417.466 1.991 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)nn1 1223531621 ZPERGTNHXNIGNT-INIZCTEOSA-N 400.483 1.555 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1283829881 XPVOVSUWVVFVEG-IFLJBQAJSA-N 401.551 1.830 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)C 1286275183 PZZHUEVXGHYDEY-ZDUSSCGKSA-N 401.467 1.517 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NC 1286402165 BDPCIZNWNWUFFQ-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC(C)(C)C1 1286507649 BBVUULKGXJEWHP-CQSZACIVSA-N 414.622 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286567054 UJHKTJBPKPABKT-NSHGMRRFSA-N 403.527 1.553 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1286641114 RSIHWMWCEFIERB-GOSISDBHSA-N 423.926 1.700 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C(C)(C)C)C1 1286779249 HGFAXWNRFIGVRE-UONOGXRCSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@]2(CCOC2)C1 1286791921 HGBYGCZECPKEMS-OAQYLSRUSA-N 415.469 1.915 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794127 XLJLQISZEIFXNA-UWJYYQICSA-N 421.542 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286819011 WQXVRVUEISXFNW-DOTOQJQBSA-N 405.524 1.945 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1286819095 ZXBUAWONKJMQQM-CVEARBPZSA-N 417.539 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(C#N)cc2)C1 1293784388 VRVFZWNQYIFMQC-INIZCTEOSA-N 407.492 1.599 30 10 HDEE CC(C)OCCOC1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1299267245 SZMOOVSHUYHHEP-UHFFFAOYSA-N 423.535 1.548 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(CC(C)C)CCO1 1300268090 MVQGUWSUWZFETI-ROUUACIJSA-N 402.543 1.329 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300485413 WABISHWQNQIVHU-IAGOWNOFSA-N 419.551 1.924 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1300504691 QOPBJWPGTBXANF-RYQLBKOJSA-N 421.567 1.239 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1300538029 LFPNWBUAOYERAZ-UHFFFAOYSA-N 414.506 1.906 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1300578700 GHTGVGRIBLHKRZ-GOSISDBHSA-N 404.474 1.100 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300897125 OGSXKWRCBIAAEM-ZJOUEHCJSA-N 419.570 1.954 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1300999816 HCLFCZRRCWJCPF-UHFFFAOYSA-N 418.523 1.189 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(S(C)(=O)=O)CCC2)C1 1301552946 BAHWXTDYPSULCI-MRXNPFEDSA-N 420.539 1.427 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCC1 1301973433 GCTBMUAJSNSGJZ-HNNXBMFYSA-N 402.524 1.827 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC2CCOCC2)c1 1302982995 SGFRNODOCIAMSC-GOSISDBHSA-N 424.505 1.714 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@H]2Sc3ccccc3NC2=O)c1=O 1307274831 VCEANWWAYYJUJB-OAHLLOKOSA-N 400.460 1.047 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1309712072 BXGJSOPZFARDFS-UHFFFAOYSA-N 417.281 1.440 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2)cn1 1311591881 CONSCYJJMJIVOL-QFIPXVFZSA-N 420.517 1.858 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CC1 1311751345 MRODDOGMXURRMF-UHFFFAOYSA-N 400.523 1.838 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 1313097717 QOTWWQJGWXOUFP-MRXNPFEDSA-N 408.296 1.841 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@H](O)c1ccc(C#N)cc1 1319951842 FHNNHGVYEBWYDH-IAGOWNOFSA-N 417.462 1.603 30 10 HDEE N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1321606710 PFIGOMUXWGXTMN-CGTJXYLNSA-N 419.503 1.637 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)C[C@@H](C)O1 1349090193 NKKSGUZBSRABNU-GASCZTMLSA-N 414.487 1.932 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CC2)c1 1357761610 QUJGONWZRRGJFJ-LTGZKZEYSA-N 417.495 1.394 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCCS(C)(=O)=O 1358881928 PNGLVJLAIXRNIM-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1359009309 MMVNREJDUYSNPU-KRWDZBQOSA-N 415.519 1.048 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1359020107 RKNAHWDMSLJUNY-IIBYNOLFSA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)CC1 1359033172 SFGYSZWEXNBIBF-UHFFFAOYSA-N 419.533 1.294 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC)CC1 1359041613 CHMKSWRQGKTDSE-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)C(C)(C)C 1359068817 PQXQPIKVBSYXBH-LJQANCHMSA-N 404.540 1.884 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1359070244 IVBKGLBBEYIXEU-FZKQIMNGSA-N 424.477 1.812 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCCc2ccccc2)CC1 1359177986 GJWQSPDEDQTWGN-IBGZPJMESA-N 422.533 1.991 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1359216301 UABUUWWUKRJSFK-JKSUJKDBSA-N 407.540 1.348 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1359226428 FXTPPXDJBJULQP-UXHICEINSA-N 419.570 1.923 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359301484 ZODBHANBCDRIGJ-CLCXKQKWSA-N 407.540 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)C1 1359313164 HUTSCLIHQRYGNT-CABCVRRESA-N 415.535 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359329837 WNYISGZRBIWAOQ-FQEVSTJZSA-N 415.519 1.405 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359334669 NLYDIOHYUONCNS-OAHLLOKOSA-N 422.511 1.101 30 10 HDEE CC(C)(C)c1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)on1 1359518866 QSWKNNPIANWNDO-HNNXBMFYSA-N 413.482 1.577 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C 1360540447 COIGJMWPGONOPP-OAHLLOKOSA-N 416.551 1.780 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cc1 1436120843 SPPVYAZCMGXTQF-IBGZPJMESA-N 410.536 1.693 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 1436929334 PAONXXMXTONWAK-LPHOPBHVSA-N 402.451 1.584 30 10 HDEE C#CCN(C(=O)C[C@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1442056392 ZTVIBBPVNARVEN-GJZGRUSLSA-N 418.581 1.672 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)cc1 1452559476 DCCZXISIGUMIRA-HNNXBMFYSA-N 407.517 1.641 30 10 HDEE C#C[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 1453747419 SNAPKTGGQRHEKS-DLBZAZTESA-N 407.511 1.437 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CNS(=O)(=O)c3cccs3)cn2)cc1 1455002221 MTQSXXUVKBCKOY-UHFFFAOYSA-N 401.473 1.782 30 10 HDEE C#CCN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)CC(=O)OC(C)(C)C 1460356279 OPXQEKHCHSMRCC-UHFFFAOYSA-N 415.899 1.203 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nncn3C)C2)s1 1464096715 AIIHLFLWLUODNQ-ZDUSSCGKSA-N 409.537 1.290 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1466159843 NNWQMAFFRHDWMA-UHFFFAOYSA-N 417.491 1.737 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCCN2CCCO[C@@H](C)C2)s1 1466842150 SXSWIPDAIUYISK-HNNXBMFYSA-N 415.581 1.372 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@](C)(O)c2ccccc2)cc1S(=O)(=O)NCC#N 1469235656 XNIZMSFZUUCWGO-FQEVSTJZSA-N 401.488 1.777 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C 1469876177 DGISVRCQDUVGNO-CQSZACIVSA-N 412.483 1.636 30 10 HDEE N#Cc1cccc(C2(NC(=O)CCNS(=O)(=O)c3cccnc3)CCOCC2)c1 1470223666 YQGXWQVGYKMATK-UHFFFAOYSA-N 414.487 1.444 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1471200879 IMQNTIIWFLWEED-FZNQNYSPSA-N 421.519 1.631 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(O)nc1=O 1471311577 DGFMFNYIKFOVEW-OAHLLOKOSA-N 412.450 1.333 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CCOCC1 1472338697 FGYLZPIKEROEKW-UHFFFAOYSA-N 406.291 1.708 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCc2cc(F)cc(F)c2)c1=O 1473034459 GPRCWDIXSQYSMY-UHFFFAOYSA-N 402.401 1.147 30 10 HDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(CCS(=O)(=O)c1cccc(C#N)c1)C2 1473628960 DJJBLCCLDFWLGW-JXFKEZNVSA-N 406.504 1.622 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1475487258 JNMKUZABRYZDNP-SECBINFHSA-N 409.277 1.899 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1476224046 PRLCFLQRPXBGLH-UHFFFAOYSA-N 404.486 1.756 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(C(=O)CN4CCOCC4)CC3)cc21 1477135756 LJPZPWQDQFHDLX-UHFFFAOYSA-N 412.494 1.231 30 10 HDEE Cc1cc(S(=O)(=O)NCCNC(=O)NCC2(C#N)CCOCC2)c(C)s1 1478252001 OZOYFHYWLAUSAH-UHFFFAOYSA-N 400.526 1.263 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CCN(c3ncccc3C#N)CC2)n1 1478669307 CWEWEUUVQKWVEM-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc(C(=O)OC)c(C)n2C)n1 1479181053 FKGAJTLZHVQCIE-UHFFFAOYSA-N 401.467 1.308 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1507528878 OYJHYLXHYRFSOD-YOEHRIQHSA-N 419.489 1.883 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1507621519 BHPJCNKNLIAMKW-QGZVFWFLSA-N 407.584 1.688 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1507731377 GYEXGMLCONWHAL-RTWAWAEBSA-N 408.550 1.840 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1507732921 YYJLFVVNJGFGLD-SFHVURJKSA-N 405.568 1.658 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(C)=O)CC1 1507781501 AQWUFTKRNWRWJD-ZDUSSCGKSA-N 411.304 1.196 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507829021 MHSJQBISLSRXGP-UHFFFAOYSA-N 405.466 1.132 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1507829191 STNCVUUOSLGUAG-LJQANCHMSA-N 418.505 1.660 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 1507893233 FHCPAOHPXJHWQO-UHFFFAOYSA-N 416.526 1.199 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCOCC2)C1 1508121754 GJAXJHDIQYLJIO-DLBZAZTESA-N 418.542 1.121 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1508159831 ATUNRZWVKJZSKK-UHFFFAOYSA-N 401.602 1.868 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@H]2C)CCOC1 1509793362 XIGJTQAEZIJCCK-DBXWQHBBSA-N 420.558 1.778 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1510305816 SRHIPSJIIFMRKZ-ZHRRBRCNSA-N 421.505 1.433 30 10 HDEE CO[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCOC1 1517934141 VHKMGKLRHKQPCQ-VLIAUNLRSA-N 419.432 1.681 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1 1531919180 BZBPRRDEHQQNGL-UHFFFAOYSA-N 424.486 1.630 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(C)c2cc(C#N)ccn2)cc1 1538826640 ZYBXQUAHDLXVKI-UHFFFAOYSA-N 401.448 1.195 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CCO1 1538844449 PKZUVSBPZGWREF-HNNXBMFYSA-N 401.535 1.240 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1538929338 YXYXOZHWTCCLGK-UHFFFAOYSA-N 420.516 1.764 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539065903 MIEYUVBFBBTXJA-CVEARBPZSA-N 407.540 1.436 30 10 HDEE N#C[C@]12CN(C(=O)CSc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1539118078 GRTJJCJHYQFCBF-XHDPSFHLSA-N 415.334 1.938 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1539222332 VMXGJQHTIGAGLM-IAGOWNOFSA-N 418.523 1.112 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NC 1539542013 RNBLZLFWNDROAQ-NHCUHLMSSA-N 403.527 1.695 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@H]2OC)CC1 1539828917 RAYVYSSSNPHERP-ARFHVFGLSA-N 413.544 1.096 30 10 HDEE C[C@]1(C#N)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1539935391 LYIZOPKWHKEHPL-MSOLQXFVSA-N 419.279 1.978 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1cc(CO)nn1 1540064528 XARUKHHFSGYABK-UHFFFAOYSA-N 419.493 1.927 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)cc1 1540068684 WQOAPUXREDWQIE-KRWDZBQOSA-N 400.410 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540869229 GCCHXIBOSBHBRB-INIZCTEOSA-N 406.494 1.678 30 10 HDEE CC(C)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1541335922 FWZDREVHLWHHNA-VXAPJYQHSA-N 413.526 1.601 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1=O 1541559732 VMMXHRAFIKBBBB-GOSISDBHSA-N 421.505 1.400 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1542578146 MCSAAEBEFRBVNN-OLZOCXBDSA-N 410.400 1.819 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1542768560 HQWYIJTVGMUGRZ-DLBZAZTESA-N 402.499 1.894 30 10 HDEE CN1C(=O)CS/C1=C\C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1543097290 WNVVXLZERWFUNC-UITBBBLRSA-N 408.505 1.485 30 10 HDEE C#Cc1ccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)cc1 1544039063 WBFJKKKYJRNYSP-GOSISDBHSA-N 424.478 1.921 30 10 HDEE C[S@@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1555820818 GKVMEWKRQLFGBJ-CAMPQQCRSA-N 421.473 1.787 30 10 HDEE CS(=O)(=O)CC1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1556743161 AFCPUBGBZHXLQF-UHFFFAOYSA-N 415.309 1.983 30 10 HDEE C=CCCC[C@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OC 1558381695 LNICLXPUIZFPSA-HNNXBMFYSA-N 407.492 1.595 30 10 HDEE CC[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1558441638 BGDBZWITFYVVKO-AWEZNQCLSA-N 423.535 1.989 30 10 HDEE Cc1ccc(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)cc1S(=O)(=O)NCC#N 1558669894 SXIMATHAZGXBFO-GXTWGEPZSA-N 405.398 1.494 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCc3c(CC#N)cccc3C2)c1 1560042752 XWIHTJDZWDRKGG-UHFFFAOYSA-N 412.515 2.000 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N[C@@H]2CCc3cc(C#N)ccc32)CC1 1561530527 FGICDCZPYWBPEH-QGZVFWFLSA-N 406.508 1.933 30 10 HDEE COc1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2C(=O)NCC#CCO)c1 1565249927 QKAIUFDIVROOJH-GOSISDBHSA-N 403.479 1.994 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)cn1 1568549500 ZXJAGAROQNVGDM-DOTOQJQBSA-N 403.527 1.358 30 10 HDEE CC1(C)C(=O)N(Cc2ccccc2)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 1569703166 MUCOUQJYIIAOIW-FMQUCBEESA-N 410.474 1.553 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1570816825 IKUHUHMXIDROKJ-QGZVFWFLSA-N 419.547 1.507 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1583087465 IRXUYDSTQUQXSZ-IERDGZPVSA-N 415.494 1.362 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCC(C#N)(c4ccccn4)CC3)CC2=O)cn1 1586056697 IBTCVWOMTIMOPI-QGZVFWFLSA-N 422.489 1.361 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CCC2=O)cn1 1587611661 RAWUUNFEOAIBQT-FQEVSTJZSA-N 420.517 1.769 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1587924389 ZGMROCIGCQHHCU-UHFFFAOYSA-N 409.328 1.650 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnn(CCOC)c1 1587926842 JTMHXRNNYKRCLD-UHFFFAOYSA-N 418.299 1.996 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588054762 PQJCNWYSTKQKPL-SQNIBIBYSA-N 420.535 1.144 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1589060787 YTYCBDRQFSSMKG-HOTGVXAUSA-N 416.551 1.187 30 10 HDEE C=C(C)C[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OCC 1589372278 XNLKDXSTMYBDOK-KRWDZBQOSA-N 402.495 1.525 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCCOC1 1595602876 SYROCKZDZCIWNS-TZMCWYRMSA-N 407.425 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H]1CSC 1595798447 PNBRTXVGVVITBZ-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@H]1CS(N)(=O)=O 1598222085 WNZIOMVVDUESLL-CJNGLKHVSA-N 400.460 1.742 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1609507698 VMJCJCXXAJTEHI-KRWDZBQOSA-N 403.531 1.410 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@@H]1OC 1613547379 DCZWEBVKBLCSTQ-WMZOPIPTSA-N 418.542 1.988 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)C2)ccn1 1619362872 UQVNHVFIIZKOJW-CEQIKUNHSA-N 401.511 1.727 30 10 HDEE CO[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1619530055 DANQBKVAATXQJH-RUNIHZNKSA-N 414.510 1.618 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1620149884 VLSBWVIMNPQUAH-INIZCTEOSA-N 409.512 1.950 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3noc4c3COCC4)C2=O)cc1 1626612290 LWOOSEKDZAONEE-HNNXBMFYSA-N 409.402 1.140 30 10 HDEE COc1cncc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1630562630 RNFJHQSMDKHLPC-QGZVFWFLSA-N 416.503 1.860 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2CS(=O)(=O)c2ccccc2)CC1 1631231593 PRXUEBYLLBGFGY-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1632880014 CAVSKHIAXLYEHP-UUNATAEASA-N 406.483 1.713 30 10 HDEE COc1c(N)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc(Cl)c1Br 1635737763 YGPHGQJBTLJFEF-UHFFFAOYSA-N 415.675 1.891 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NC2(C#N)CCSCC2)C1 1636413473 DFRLZQXEJYXECX-CYBMUJFWSA-N 417.553 1.316 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCO[C@@H]2CCC[C@H](C)C2)CC1 1636479447 BAZINYOEFWEYKQ-RBUKOAKNSA-N 413.584 1.754 30 10 HDEE CN1C[C@@H](N(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC1=O 1637952191 JYMLQQHLZDTUKG-WZHMAMEKSA-N 404.511 1.852 30 10 HDEE C#C[C@H]1COCCN1C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 1638849142 WGMQKFQUNXREGH-INIZCTEOSA-N 409.471 1.934 30 10 HDEE COCc1ccc([C@H]2COCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)o1 1638855608 QGKSFZYSALNGPI-GOSISDBHSA-N 418.471 1.813 30 10 HDEE Cc1cc(C#N)cc(NC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c1 1639049635 CWPPMFOVKQYGNN-UHFFFAOYSA-N 400.460 1.603 30 10 HDEE C[C@H](CC(=O)NC1CCN(C2CCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640821057 HGGYNDPECHGZHT-CQSZACIVSA-N 404.536 1.637 30 10 HDEE COC(=O)[C@@H]1c2ccccc2OCCN1CCS(=O)(=O)c1cccc(C#N)c1 1648520502 WBUIGXUUOXWJBJ-IBGZPJMESA-N 400.456 1.941 30 10 HDEE CCOC(=O)[C@@H](CSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1649374622 ORCUIRJNUHBQSJ-IUODEOHRSA-N 409.895 1.975 30 10 HDEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)C1 1651092294 LGCMAKWIDWRRIP-KRWDZBQOSA-N 422.522 1.701 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1 1653516866 GVJNFUIBOGWDGX-DNVCBOLYSA-N 400.456 1.070 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1659982298 GKTOGHDSVDHHIQ-HXUWFJFHSA-N 400.504 1.322 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCc2ncnn2C)cc1 1664903518 CZMMYGGOFVXAPI-UHFFFAOYSA-N 420.491 1.360 30 10 HDEE C#C[C@H](NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1)[C@H]1CCCO1 1668698001 GCTINUHVVYWKBI-DJEJFTSGSA-N 421.338 1.921 30 10 HDEE C=CCN(CC=C)C(=O)CN1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C1 1674023447 NNMLPRYDXXNWOQ-JJMGOROYSA-N 401.551 1.827 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)NCCOc2ccc(I)cc2)C1 1680484424 WTFJGGPCBUGOSZ-OAHLLOKOSA-N 415.231 1.730 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCOc2ccc(I)cc2)CCO1 1680488685 NESGXJBAWSNJQG-HNNXBMFYSA-N 415.231 1.994 30 10 HDEE CN1CCC(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)(N2CCOCC2)CC1 1686784054 FWGDHFRHJQKVDH-FQEVSTJZSA-N 415.538 1.030 30 10 HDEE C=CCOCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1687159706 HISUHXVPPPIEQJ-QEEYODRMSA-N 411.499 1.677 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](Cn3ccnc3)c3ccccc3)C2)c(=O)nc1O 1687423594 ASDUVECOIQTZBA-KRWDZBQOSA-N 405.418 1.025 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC1CCOCC1 1689960860 BABGDFXYXUTQFO-UHFFFAOYSA-N 401.467 1.661 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1690077564 RHOYVVUSQDEIQJ-JKSUJKDBSA-N 416.503 1.480 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)C 1690198628 WIIHMYWBUCYYEL-HXUWFJFHSA-N 405.466 1.001 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1690265968 WTIMQTLBBRUTEV-WZQKQDCOSA-N 414.597 1.884 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690449609 LOMYPMCSEJAQEX-GOSISDBHSA-N 413.526 1.972 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690508403 IEYILSBXWJGAKG-OXJNMPFZSA-N 405.499 1.796 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1690524557 NYLGOHCDDWKLDX-HNNXBMFYSA-N 409.494 1.937 30 10 HDEE C=CCOc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCNC(=O)C2)cc1 1690680571 VYHQRZKRKZFNNG-UHFFFAOYSA-N 404.474 1.813 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOCC2)C1 1690700812 YFYXXKRCUSBDKF-RBUKOAKNSA-N 405.543 1.676 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1696708569 APHDFUSRKYZSKO-UHFFFAOYSA-N 402.466 1.868 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1698486964 XIUCZRFDAVCFMN-PBHICJAKSA-N 409.512 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1705487225 UQJWQWCKRYAGQX-ZDUSSCGKSA-N 407.434 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1705501839 PAWXLCFWPPELAZ-YESZJQIVSA-N 409.556 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1705598881 SALSVWSCPFYRDF-INIZCTEOSA-N 413.503 1.095 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](F)COC 1705605361 IOWZVPVLQDJBCA-HNNXBMFYSA-N 422.530 1.991 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCC1(O)CCOCC1 1705630324 ORFFXIHHAXGRHA-UHFFFAOYSA-N 404.536 1.948 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccsc1)N(C)C 1705834583 NXDFWROLCHVFDT-ZFWWWQNUSA-N 412.585 1.875 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1706913407 KVXDWJYXOFQHID-QAPCUYQASA-N 419.457 1.685 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1712456180 WJWWPQCDLMAWQJ-NRFANRHFSA-N 412.494 1.394 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCCN1C1CC1 1712567961 YESUBPOMXSTDFL-BHIYHBOVSA-N 418.542 1.748 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC4(CC4)C3)n2CC(=O)NCC(F)F)c1 1712878762 KVMCZWPLOSZQOF-UHFFFAOYSA-N 416.432 1.815 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1722296378 PHRQVUUVXVIYCU-RCCFBDPRSA-N 407.584 1.903 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1722316207 DGPZBKTVSDKMIR-SJORKVTESA-N 416.551 1.711 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722376912 HSOYFUGBGMHIHM-GOSISDBHSA-N 421.501 1.521 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(S(C)(=O)=O)cc1 1722379571 ULHMLNJGSZRKRU-UHFFFAOYSA-N 408.487 1.203 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1722385954 RHZPWFPNQXBXIM-UHFFFAOYSA-N 424.549 1.118 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1 1722396662 CJLBVFNCRKTBAZ-LJQANCHMSA-N 418.501 1.051 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)nc1 1722427912 UICCXXUAAMDMQX-UHFFFAOYSA-N 422.537 1.735 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1722429458 MKTVUBPVXCUJPP-OALUTQOASA-N 416.570 1.623 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NC1CCCCC1 1722633905 GRGCCKGKKHVWNP-UHFFFAOYSA-N 421.509 1.992 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCCCC2)C1 1722708882 FKISHAITCXZOKS-QGZVFWFLSA-N 418.542 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1722711714 HJMYTJJIQSECAQ-SJORKVTESA-N 420.539 1.427 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C(C)C)C1 1722713615 IFVLWLMXVOPQLX-HZPDHXFCSA-N 404.515 1.173 30 10 HDEE C=CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722742498 VYIMPOSSHKSFFH-OAHLLOKOSA-N 422.580 1.504 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1728197808 AQYWEULFDUFWGW-OAQYLSRUSA-N 407.478 1.202 30 10 HDEE CN(C)CCOCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1729341751 VZIGUUDCUGSDDL-QGZVFWFLSA-N 402.474 1.315 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1740532668 KDMCYWWDOGFKRC-HZPDHXFCSA-N 424.571 1.139 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1740550171 HUOSBGFZAKAWBU-KRWDZBQOSA-N 424.553 1.825 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1740614380 PJKAHTWOAFPIHG-UHFFFAOYSA-N 409.487 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)c(O)c1 1740629508 QBWAPSARHZSATB-UHFFFAOYSA-N 416.441 1.761 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCO[C@H]1C 1740664271 KKGTXGCAHJKEIG-YWZLYKJASA-N 418.519 1.348 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740888232 GWPBPLFSHDAUHI-QGZVFWFLSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(S(C)(=O)=O)cc2)nnc1C(C)(C)C 1740964955 JXLGZFNUFKUZPY-UHFFFAOYSA-N 419.551 1.918 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741285247 RBZARDDAQGRFNK-SFHVURJKSA-N 422.537 1.679 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)CC1 1741988510 RXKXREKYWVPUIQ-IRXDYDNUSA-N 416.526 1.945 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1 1742283968 MOEGTQKINWANPJ-UTKZUKDTSA-N 410.478 1.373 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC1CCOCC1 1744096234 BEHPMRIQXBWMFW-QGZVFWFLSA-N 404.515 1.742 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1746407883 CYFDMPNPIYMLBZ-MOPGFXCFSA-N 423.521 1.252 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1748764258 IXEHHCUUOSXYSY-WIYYLYMNSA-N 414.510 1.446 30 10 HDEE COc1ccncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749122838 DHYHGBIZUMXOTD-OAHLLOKOSA-N 417.473 1.936 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1749211115 STZNOPQAXOMJTN-KRWDZBQOSA-N 418.542 1.600 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCNS(=O)(=O)CC)CC1 1749295981 CTMATOYQMVJGPY-UHFFFAOYSA-N 419.507 1.770 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749356322 NXHVCGGFVAFSHU-PMPSAXMXSA-N 401.398 1.915 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CCO1 1750018386 RSNKBJIBUXNGMF-KRWDZBQOSA-N 409.450 1.138 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760129477 OQJISHRGPNCBEJ-HNNXBMFYSA-N 416.507 1.352 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](C)C1 1760138422 YIFZAHQIYJQCJA-BBWFWOEESA-N 409.556 1.507 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1760224947 DEPKMFSWLBJIQK-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC(C)(C)N2CCOCC2)CC1 1760260368 PYFYNXJVTBPRCD-UHFFFAOYSA-N 423.565 1.515 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2C/C=C/CC)CC1 1760268607 MLYGIJPEPAPBLH-AATRIKPKSA-N 424.505 1.938 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760268751 XLXGERMXAZPFCE-IEBWSBKVSA-N 424.549 1.801 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCC(=O)NC 1760333956 IUHUGXJLNFAAGV-QAPCUYQASA-N 401.515 1.622 30 10 HDEE C=C(C)COCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1760360777 AJDOCVSVGJNIFB-UHFFFAOYSA-N 406.575 1.815 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1760465014 VBMFQXPDLILEPT-OAHLLOKOSA-N 406.508 1.887 30 10 HDEE C=CCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513414 XDDYFKFVFDDELV-LEWJYISDSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCC(=O)NC 1760522763 DIMGXXVMTAXIPQ-UHFFFAOYSA-N 422.493 1.005 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)C1 1760533871 OHLMVXARDZJKLT-HRAATJIYSA-N 416.526 1.209 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC1 1760783179 PLFKGNOKXRTGOH-HOTGVXAUSA-N 418.498 1.725 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CCO1 1767712378 IFXHAIVRYIOUAV-MSOLQXFVSA-N 410.478 1.193 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1772793310 XHVBWSKUJPLIME-LBPRGKRZSA-N 408.366 1.565 30 10 HDEE N#Cc1cccc(C(=O)N2N=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)c1 1848467854 LJHDOBWCRSTBIO-UHFFFAOYSA-N 408.439 1.928 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ncn2c1CO[C@H](c1ccc(Cl)cc1)C2 1850930789 VIHFJTOIYSREAH-IBGZPJMESA-N 414.893 1.873 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)c(C#N)c(C)[nH]1 1851589197 NYUIIXDTGLAMET-CQSZACIVSA-N 413.865 1.770 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3F)C2)c(C#N)c(C)[nH]1 1852021100 XAYWICZPUFDADV-JTQLQIEISA-N 403.801 1.871 30 10 HDEE Cc1ccn(-c2cc(N3CCN(C(=O)COc4ccccc4C#N)CC3)ncn2)n1 1852386368 GIFOCSLNTNAOCR-UHFFFAOYSA-N 403.446 1.570 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)C(=O)N(Cc3ccccc3Cl)C2=O)CCOCC1 1852405019 YGXOZHGTXKBAJB-UHFFFAOYSA-N 418.837 1.067 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1=O 1853828186 IUDOJVNVBFGXQL-SJORKVTESA-N 413.474 1.308 30 10 HDEE N#Cc1ccc(CN2CC(=O)N(C(=O)[C@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1853897559 QVQIXNJCKUCJMG-KRWDZBQOSA-N 409.467 1.873 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCN(c3nc4ccc(F)cc4s3)CC2)C1=O 1853958614 XBJRXMUCQFUBFF-OAHLLOKOSA-N 401.467 1.989 30 10 HDEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853961512 VUTJHDNXMANQRB-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3ccccc3S(C)(=O)=O)C(=O)C2)C1 1854393376 IFLFKWALYUNPSS-MRXNPFEDSA-N 405.520 1.025 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855073458 AQOAEUKFYLEEPJ-ZWKOTPCHSA-N 411.568 1.608 30 10 HDEE CN(C)C(=O)C1CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1855136320 WRNDGCXSVBVVGK-FQEVSTJZSA-N 410.518 1.809 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855734215 JQRCJOQQYTXLIT-NSHDSACASA-N 403.382 1.649 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(S(=O)(=O)c3ccccc3)CC2)CCC1=O 1856227080 PJGHLCHEFLJJLC-MRXNPFEDSA-N 403.504 1.604 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@@H]4CCCCO4)C(=O)C3)C2)s1 1856347762 QNYCEJZDEWXOIV-YJBOKZPZSA-N 402.520 1.434 30 10 HDEE CN(Cc1nnc(-c2ccccc2)o1)[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1=O 1856592710 MVRUQSVGKSWVRO-KRWDZBQOSA-N 402.414 1.876 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cc3cc(OC)ccc3OC)C(=O)C2)C1 1856848343 KEJRJGXTILJUQU-GOSISDBHSA-N 401.507 1.568 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)CCOc3ccc(OC)cc3)C(=O)C2)C1 1856872330 PMVJSPNFJVFOJG-SFHVURJKSA-N 401.507 1.785 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(Br)cn3)C(=O)C2)C1 1856872705 YKRDRPMSUWWSJB-HNNXBMFYSA-N 407.312 1.779 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccn(C)n1 1857003541 ZRZCIRDUBMQFGF-OAHLLOKOSA-N 414.487 1.879 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@H](CN4CCC5(CC4)C[C@@H]5C#N)CC3=O)nc2n1 1857220375 QEKQJPAWNGOMJL-JKSUJKDBSA-N 407.478 1.356 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)c1nc(C(F)(F)F)n2ccccc12 1867289456 ZZDSMGFTZGFBNU-CYBMUJFWSA-N 417.347 1.954 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677557 RUGYPDZSXXDWNJ-UHFFFAOYSA-N 417.901 1.387 30 10 HDEE C=CCn1c(C(=O)NCCN2CCOCC2)cc2c(N3CCC[C@H](C)C3)ncnc21 1873593546 DHFOPLKJPPBOOO-KRWDZBQOSA-N 412.538 1.916 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccccc1[N+](=O)[O-] 1874472042 KCAWGIWJHRGVMZ-YBFXNURJSA-N 406.468 1.876 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CCC[C@H](COc3cc(C(N)=O)ccn3)C2)c1 1891510065 YSMZOOJTJMRKJY-HNNXBMFYSA-N 400.460 1.532 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N(C)C2CN(c3nccnc3C#N)C2)cc1 1892066321 CYZPKKOFKMGGDZ-UHFFFAOYSA-N 402.436 1.036 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCn2cc(I)cn2)s1 1963529391 ZSCGJKZQEXDRQE-UHFFFAOYSA-N 408.246 1.399 30 10 HDEE C=C1CC(CNS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2126538984 JJSQBOAUZXLZQQ-GOSISDBHSA-N 424.450 1.351 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788196 BSTAXAMAFPCGGH-WHDAMIPWSA-N 414.509 1.749 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)NC1CCC1 2186600871 XNFKKZDKARPFDC-NSHDSACASA-N 401.363 1.822 30 10 HDEE CN1CCC(CC(=O)N[C@@H](C(=O)O)C(C)(C)S)(NC(=O)OC(C)(C)C)CC1 2195306915 KPOWDOIBCZRHHH-ZDUSSCGKSA-N 403.545 1.643 30 10 HDEE C[C@@H](C#N)C1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2236699503 KCQBWTPSZWGDDK-DZGCQCFKSA-N 401.529 1.713 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)C1 2243257061 AEYOQFBALGMUMK-IYOTWJRTSA-N 423.510 1.390 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243389803 LRVNLFHHSSMXPQ-GFCCVEGCSA-N 406.292 1.419 30 10 HDEE Cn1nc(C(=O)NCCCNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2243422820 MKZOAGNHNDDGFM-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]2CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@H]21 2247811119 FOGPBMIDSNYLKS-CVEARBPZSA-N 420.315 1.858 30 10 HDEE C[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247845020 LEPSAEYHTKLSAO-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247912713 LCHCXQHWIFWMNI-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE C=CC[C@@H]1CCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258132821 DLCWRNJSJXHKMI-SJORKVTESA-N 410.492 1.825 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258174653 DBEWHEPKZAOPTK-MRXNPFEDSA-N 408.476 1.320 30 10 HDEE COCCOCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282323386 AUDWTOPNPVTIIG-UHFFFAOYSA-N 405.347 1.297 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@](C)(=O)[C@@H]2CCNC2)OC1(C)C 2282331069 JBJCWAKJRLMLRC-SSINHNECSA-N 420.387 1.196 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H]2C(N)=O)OC1(C)C 2282332324 ZFECLICKOFRELS-LBPRGKRZSA-N 400.331 1.076 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](C(F)F)CC3=O)s2)OC1(C)C 2282333693 RMSPMLNZQNCHOK-VIFPVBQESA-N 407.269 1.850 30 10 HDEE C[C@H]1CC[C@](O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491924 MSGQDAIEYYITFS-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](CO)C2)OC1(C)C 2282501550 YOGMXBWRZHMNEP-CYBMUJFWSA-N 401.359 1.581 30 10 HDEE COC[C@@H]1C[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501668 ACDOIJZNUXTTAI-KGLIPLIRSA-N 401.359 1.749 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](N)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282502836 QLKCKJQYJAEYCC-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE C[C@H]1CCO[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506208 OWPOMWAYBLRNHA-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282512354 SDJNACOWKDLZEO-AAEUAGOBSA-N 421.415 1.579 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284398087 UDEMGXJTWIMMDP-SNVBAGLBSA-N 403.693 1.638 30 10 HDEE CCCSC[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284466304 OPVTWICMBFKHQH-JTQLQIEISA-N 400.331 1.769 30 10 HDEE CCCN(C[C@H](C)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288022477 LWTYOWYSBQZPAJ-LBPRGKRZSA-N 404.363 1.365 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342066082 HTJZUUCZSMPZTI-GHTZIAJQSA-N 420.531 1.319 30 10 HDEE COC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2361731274 CIGOAQSPQPWAAI-SNVBAGLBSA-N 415.264 1.903 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365203239 HWIPKAMWOQUZPC-BZUAXINKSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]2C[C@H]21 2365208428 CFTJLQFABHKHEN-GJRWTSMGSA-N 400.541 1.161 30 10 HDEE COCCn1cc(C#CC(=O)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cn1 2366097465 UZPAJWYKGDVSIG-JOCHJYFZSA-N 411.458 1.614 30 10 HDEE N[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](O)c1c(Br)cncc1Br 2367291140 OTYUCMFJIDUDOM-ONVGCPIPSA-N 402.086 1.863 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783061 DFEOAZQVGLFNPW-OWCLPIDISA-N 400.541 1.556 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367810925 CIYHATQZCYUFBW-KHYOSLBOSA-N 400.541 1.340 30 10 HDEE CCC[C@@](O)(CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367831382 QMBRMOPXSPZINJ-HNAYVOBHSA-N 402.557 1.601 30 10 HDEE CCOc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1O 4404859 CUGQDQNORQBATD-KGENOOAVSA-N 413.482 1.859 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 97061196 KIJVPHQMUYAIMG-DBAFAGGRSA-N 404.555 1.877 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1ccc(O)cc1 101442850 DOTOBEJFZPXAGC-GJZGRUSLSA-N 423.429 1.043 30 10 HDEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CCO)cc1 102705975 OMMLTKZFOMCMBB-VZCCSQPZSA-N 411.410 1.896 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105287081 LUJSUTGVJHVPMA-UHFFFAOYSA-N 415.475 1.098 30 10 HDEE C[C@H](C#N)CN(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 148088080 FBMMKCSFQFXJIY-LLVKDONJSA-N 416.297 1.420 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)n1cnc(C#N)n1 409560123 BGKIRBONUFIULN-LLVKDONJSA-N 423.355 1.987 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2)nc1 432962047 VGEUBBOHYVYNHA-SFHVURJKSA-N 423.477 1.894 30 10 HDEE CC(C)C(=O)N1CCN(c2ccc(C#N)c(N3CCN(C(=O)C(C)C)CC3)n2)CC1 436273042 HWLDVZUXBPPIRE-UHFFFAOYSA-N 412.538 1.562 30 10 HDEE N#CC1CCC(CNS(=O)(=O)c2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)CC1 443075269 RJDONMZEFZUOMI-YMAMQOFZSA-N 405.476 1.732 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1 482155646 VUFQYOIMMWUZRW-DOTOQJQBSA-N 418.519 1.086 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCc2nnc3n2CCCC3)cc1 483447145 ZTEGDNRMODRTAG-UHFFFAOYSA-N 401.492 1.664 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 484923459 FNYVAGURBFWZSV-IFXJQAMLSA-N 415.471 1.531 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)NC)ccc3C)cc2C1=O 495273966 JYOXSDNKDBYUMJ-UHFFFAOYSA-N 413.455 1.937 30 10 HDEE CC[C@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)F 498877186 ZEEGNTGIWQZNDI-HIFRSBDPSA-N 414.478 1.413 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502034972 IRLYMYSWOBVISK-PMACEKPBSA-N 424.526 1.744 30 10 HDEE Cn1cc(OCC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cn1 503289062 YEANEUVSTOUAAV-KRWDZBQOSA-N 418.295 1.970 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1c1cccnc1 525405731 MZUYKGRWCKLASM-IRLDBZIGSA-N 403.486 1.817 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 549251857 DPLQDKIWSANVRN-KRWDZBQOSA-N 400.527 1.929 30 10 HDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N 551520861 RVGLMIRGNBWDOZ-UHFFFAOYSA-N 404.858 1.233 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)C(=O)C1 555285562 PNSWAOWRLCAWHC-UHFFFAOYSA-N 419.489 1.579 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 603798409 KZFUWGCMLAFULH-INIZCTEOSA-N 413.474 1.010 30 10 HDEE N#Cc1cccc(OCCCN2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 615456153 FCASLDKCMJHFMS-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669805659 FCSDHUPJHHWCSL-QGZVFWFLSA-N 418.523 1.069 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1OCCC)[C@@H]1CCS(=O)(=O)C1 729332968 FRUKOKOQLDMCDE-QGZVFWFLSA-N 401.488 1.924 30 10 HDEE CC(=O)NCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730140896 IEXNMFIGXVKXFY-KRWDZBQOSA-N 419.551 1.212 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CSCN1C(C)=O 730306416 VOMFSVVPJSKLQT-XJKSGUPXSA-N 405.476 1.795 30 10 HDEE CCN1CCN(c2ccc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2F)CC1 732155923 IADIJDJCZQBGKI-XUTLUUPISA-N 415.469 1.224 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C#N 733202969 ZKQKRPTYOZGLPN-IUODEOHRSA-N 422.532 1.449 30 10 HDEE C=CCn1c(-c2ccccc2F)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 735072779 HXOKFFYUWIAFDO-CYBMUJFWSA-N 411.528 1.987 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)c1ccc(C#N)cc1 740202638 CBXFDGKBTSVGJE-TZZQJPOUSA-N 414.439 1.906 30 10 HDEE CCOC(=O)c1ccn(-c2ccccc2NC(=O)CCN/C(O)=C2/N=CC=CC2=O)n1 742252703 LVQJAUXENJCXOT-VXPUYCOJSA-N 423.429 1.904 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)CCOc3ccccc3)cc2C1=O 744299183 HEGFFSITKOUZSG-UHFFFAOYSA-N 414.439 1.607 30 10 HDEE CC(=O)[C@@H]1CC(C(=O)N2CCN(c3ncccc3C#N)CC2)=NN1c1ccccc1 751304748 RJRAPQMXTZNYCI-FQEVSTJZSA-N 402.458 1.826 30 10 HDEE Cc1c(NC(=S)NN=Cc2cn3cccnc3n2)c(=O)n(-c2ccccc2)n1C 757559828 IFMADESDHQCDOI-UHFFFAOYSA-N 406.475 1.848 30 10 HDEE COCCS(=O)(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1 758135376 IMCMZGVYLWPZES-UHFFFAOYSA-N 409.489 1.238 30 10 HDEE CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCN(c2cccc(C#N)n2)CC1 760604627 HYFUDYVXMXEHCP-UHFFFAOYSA-N 420.926 1.830 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)CC2)n1 761042476 LCPRRLIYKLZHPZ-ZWKOTPCHSA-N 409.471 1.306 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 762521352 OROBOUMWGRWSQH-OAHLLOKOSA-N 403.508 1.113 30 10 HDEE Cn1ncc(NC(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1C1CC1 770730478 MBCQGHAIHFVIOY-UHFFFAOYSA-N 420.473 1.985 30 10 HDEE COc1cc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nn1C 775097735 WQMOZYYIGMAXQF-UHFFFAOYSA-N 405.480 1.666 30 10 HDEE Cn1nc(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)cc2F)c2ccccc2c1=O 786555163 RMWPHRVTGUJIDL-MRXNPFEDSA-N 410.380 1.779 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(C2=O)[C@H](C)CCC[C@H]3C)n1 788365062 FGUAZEPDMYZJLX-IAGOWNOFSA-N 401.511 1.669 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc3cc(OC)ccc3n2C)n1 789202219 DMDZUPJPXJQISJ-UHFFFAOYSA-N 410.478 1.770 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)c(F)c1 790865267 HHGOTYWQLVVZBG-UHFFFAOYSA-N 418.450 1.564 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN2CCC(CNS(C)(=O)=O)CC2)c1=S 795672010 VUYUCXPINJSOHT-UHFFFAOYSA-N 422.580 1.881 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1C#N 799847065 QNSBEPDKFNBYIE-QGZVFWFLSA-N 420.517 1.443 30 10 HDEE C#CCNC(=O)CN1CCN(c2ccc(Br)c(C(F)(F)F)n2)CC1 804430174 WMROTPBXTLQIDN-UHFFFAOYSA-N 405.218 1.734 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2cn(C)nc2C)CCCN1C(=O)OC(C)(C)C 809031575 FEUKSSNTNDWYRR-SFHVURJKSA-N 412.512 1.879 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)CC1 809909818 KSQWBESSJCRIFJ-CQSZACIVSA-N 411.528 1.341 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)cc3OC)C2)n1 856586315 FWNYMJKAPUBZFL-GOSISDBHSA-N 406.464 1.271 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)C1CCN(S(=O)(=O)c3cccnc3)CC1)C2 1132852706 DGQYUQCODRGWGL-LJQANCHMSA-N 410.499 1.638 30 10 HDEE CC(C)(C)c1ccc(C(=O)NCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134275951 NXIMYMLAEDMIPG-UWJYYQICSA-N 417.531 1.501 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccnc2OCCO)c1 1136281446 FGZBCMGHVUXENH-XLNRJJMWSA-N 418.475 1.518 30 10 HDEE CO[C@H]1COCC[C@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141569454 ITUMWTLQABCIPN-LIRRHRJNSA-N 415.469 1.956 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CC[C@@](O)(CC#N)C3)nn2)C1 1143195239 AERSLDLYTXEULA-LIRRHRJNSA-N 404.471 1.341 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1 1152972938 GBHVUEVKNXUMHK-UHFFFAOYSA-N 421.262 1.127 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(O)c(OC)cc3C2)cc1 1155577204 GYVHMFOYFNJOCM-UHFFFAOYSA-N 400.456 1.511 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCn1c(S)nc2ccccc2c1=O 1161618034 AQNPPYGAKRNZBH-UHFFFAOYSA-N 401.488 1.879 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@H](CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1167585659 NUPCJOHEYCTYFL-GXTWGEPZSA-N 419.425 1.979 30 10 HDEE COc1ccc(C(=O)Cn2cc(C#N)c(I)n2)c2c1C(=O)CO2 1189591835 FGLNHMLMLPTGSB-UHFFFAOYSA-N 423.166 1.826 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@H]3CCOC3)CC2)cc1 1198252192 UIDVVTVJOFVCOM-KRWDZBQOSA-N 408.524 1.432 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)c1ccc2c(c1)C(=O)NCCO2 1211816913 XQUJVNUDKVAQAP-UHFFFAOYSA-N 406.460 1.661 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1226867593 RXBCFFRUFWIJRJ-ZBFHGGJFSA-N 408.503 1.850 30 10 HDEE N#CCC1(CNC(=O)N2CCC(n3nncc3I)CC2)CC1 1227509281 ACXWKWBJSUSOEZ-UHFFFAOYSA-N 414.251 1.923 30 10 HDEE N#CCNC(=O)CNC(=O)NCc1c(Br)cncc1Br 1227973906 GVKNFUSZQGYMOY-UHFFFAOYSA-N 405.050 1.046 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1234449983 GVVFSMXFEQHHKQ-OKZBNKHCSA-N 403.483 1.360 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O)nc1=O 1251691817 YHBWGQCOGYSQLC-GOSISDBHSA-N 410.478 1.449 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1286380061 BHEYOWCMWNLDGP-INIZCTEOSA-N 415.469 1.561 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1286386973 LDJABUCLRNDMSH-WBVHZDCISA-N 419.551 1.961 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1286510525 VQPWGGLMCRUMBB-UHFFFAOYSA-N 408.572 1.765 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1286607335 ORTZHBDZIZBCNF-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)NC)C1 1286805523 UNEFXWOWOYWJCB-CQSZACIVSA-N 409.487 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1286821482 MKZMQYCLMIBXGK-LJQANCHMSA-N 408.499 1.678 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286832068 HOKXVYHRYHPQMX-OAHLLOKOSA-N 419.530 1.957 30 10 HDEE C#CCCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)[C@H]2COC[C@H]21 1289229067 MCUZSSNPSJAZMD-OSFNYYGPSA-N 412.530 1.679 30 10 HDEE CCCNC(=O)Cn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294900296 QNHVRLUWBWQFDC-UHFFFAOYSA-N 409.494 1.997 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1300268247 PVRIYKNUMPIXLH-QZTJIDSGSA-N 402.543 1.209 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1CC 1300642487 PQSXBDXDZOTWRR-UHFFFAOYSA-N 424.484 1.855 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccco1 1300647896 CHKGVPWOWCFDSY-OAQYLSRUSA-N 424.461 1.512 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1300665204 HQCPZXJOJITSJE-HSALFYBXSA-N 419.570 1.757 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 1301374921 NZYDGOJCELXODK-VPKVUBIPSA-N 424.505 1.535 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301586688 IAUBMZHUXDQMOE-QGZVFWFLSA-N 422.555 1.179 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCS(C)(=O)=O)CCOC1 1301955888 BGCFFZNTULUSKH-MAUKXSAKSA-N 413.544 1.349 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4nc(C)cc(O)n4)C3)n[nH]2)c1C 1303600891 TWHKAJMPXMSTFR-OAHLLOKOSA-N 422.493 1.889 30 10 HDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1cncc(C#N)c1 1303862612 ZTRSTOSCPREDIQ-RHSMWYFYSA-N 401.511 1.795 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1307987560 ALXUZGKNQQPFCW-XMSQKQJNSA-N 422.570 1.359 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312472712 ZGNDQFVLWIVLIF-IAGOWNOFSA-N 421.542 1.499 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1)C1CCOCC1 1313043264 OJTICBBDVGGHOH-IBGZPJMESA-N 419.547 1.748 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315731044 GLJBAZOOWSCJCC-KDOFPFPSSA-N 412.494 1.988 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CC2(C(N)=O)CCOCC2)cc1 1316534347 YKVYBJMXUISIAY-UHFFFAOYSA-N 422.489 1.777 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCN(C)C(=O)OCC)c1 1355997033 MWFVVBRSRKTOBO-UHFFFAOYSA-N 415.490 1.728 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1ccco1)N(C)C 1358976594 JTZSZIAWUXKDJJ-KRWDZBQOSA-N 420.473 1.975 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359150796 GTBZOOOYAAFHFB-MCIONIFRSA-N 415.947 1.456 30 10 HDEE C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1359249908 UWMJGYNUIXOWRG-IBGZPJMESA-N 403.508 1.353 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1359472247 IOBTYPBVJJITOM-LBPRGKRZSA-N 408.484 1.036 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1359472896 SMOGVAOBTIFNQD-HNNXBMFYSA-N 415.498 1.324 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)CC3(C#N)CCOCC3)c2)CC1 1359867204 OZHPEDKOJVKGCE-UHFFFAOYSA-N 420.535 1.662 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCN(O)C1=O 1450156715 LWSUQSZGOCCDOR-HOTGVXAUSA-N 400.435 1.499 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CC(=O)NCC(F)(F)F)CC3)n[nH]2)cc1 1452956325 QQQROYVQOGGVQR-UHFFFAOYSA-N 420.395 1.666 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OCC 1454709584 FXRTYMJHYZOEMR-MRVPVSSYSA-N 421.767 1.517 30 10 HDEE C[C@H](CC(=O)N[C@@H]1CCC[C@H]([S@@](C)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 1457937210 GVHLEIYBOXTCEJ-UTANKCNHSA-N 411.549 1.310 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N(C)C[C@@H](O)c1cccc(C#N)c1 1460356281 OTCJISFQGBTUGW-HTAPYJJXSA-N 408.502 1.966 30 10 HDEE Cc1cn(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc1C(F)(F)F 1462998459 NLCBWYOACSPLNE-NHYWBVRUSA-N 404.414 1.342 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@](C)(O)c1ccccc1 1469755699 YHNLRQGUKNZFFL-FOIQADDNSA-N 401.488 1.905 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccc(OC(F)F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1470297041 KZMLLARCJJJVMP-MEDUHNTESA-N 403.382 1.507 30 10 HDEE N#Cc1cnn(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)c1N 1470611725 IRMCNXVWRCDKHY-UHFFFAOYSA-N 401.224 1.511 30 10 HDEE C[C@@H](C[C@@H](C)NC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1470621369 RTUXUDNPOXUUIT-MOROJQBDSA-N 414.528 1.258 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)CCCc1[nH]nc(N)c1C#N)CCS2 1471533523 ZBILELNLQGALHA-FWHMADFJSA-N 420.539 1.655 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)cc1 1471805774 STGHOSSBBHPXAL-LFDOHDQPSA-N 422.503 1.382 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCOC1 1472399380 HSLPFNAZDYANHK-BZUAXINKSA-N 411.499 1.906 30 10 HDEE N#CC1(CNS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCOCC1 1475778879 HAUMEUFRYGMQTP-SFHVURJKSA-N 421.519 1.885 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493243625 HOOGOBNACHVFAK-WSQOEDGESA-N 414.510 1.791 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1504972207 FKSBQJVCLQIBPI-KGLIPLIRSA-N 402.455 1.217 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1507553664 IBSQJWXKXCJAGY-UHFFFAOYSA-N 424.571 1.082 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1507654343 ZCPJWNDTGOZNNV-RTBURBONSA-N 417.579 1.373 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCCn2cnnn2)CC1 1507727338 IMZNACYUTGVIOO-UHFFFAOYSA-N 419.537 1.285 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CCOC)C1 1507751632 QHYXVYHQSFCMNL-HZPDHXFCSA-N 412.581 1.409 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC)CC1 1507798667 HKHSKGZKFXADIY-AEFFLSMTSA-N 411.510 1.679 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCN2CCCS2(=O)=O)CC1 1507888352 DQYQVDQSMLKGMZ-UHFFFAOYSA-N 422.580 1.826 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1507981316 HPUAZDUFXUKDBU-RBUKOAKNSA-N 410.522 1.925 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508077657 PNXYYIPZLXNNIT-ZWKOTPCHSA-N 419.489 1.176 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)C1 1508123439 HZCOLXYONMFQLA-SJORKVTESA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1508130521 IMTMBKHOHFFKBQ-CAOSSQGBSA-N 407.540 1.252 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCCO[C@H](C)C1 1516804630 CDLPZPGXJLVPKX-OAHLLOKOSA-N 403.508 1.867 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1519034880 CVOVWDAPYGTKDL-QFIPXVFZSA-N 424.505 1.872 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)Cc2ccccc2CC#N)ccc1OC 1520122655 DHZUMEDYNWFWNZ-UHFFFAOYSA-N 417.487 1.867 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1520811706 SAJRPLMIOJLFLJ-HTAPYJJXSA-N 421.538 1.875 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@](C(N)=O)(c4ccccc4)C3)cc2C1=O 1525464001 MWGQFOFNUMYAFE-HSZRJFAPSA-N 403.438 1.738 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(=O)OC 1531945424 JGZLNJQSLOGYKI-GOSISDBHSA-N 419.503 1.583 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)[C@@H](C)COC 1532291050 PSZSPZICNHYOCU-SFHVURJKSA-N 409.552 1.496 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 1533849095 LHZUMXLZIJSTGA-FMKPAKJESA-N 416.482 1.068 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cncc(N3CCCC3)n2)c1 1535253468 UQEQNZNYIGKACR-UHFFFAOYSA-N 419.485 1.564 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1 1535782033 VEPVJUYXPUHUNO-LBPRGKRZSA-N 408.252 1.717 30 10 HDEE C=CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1536179858 MRKUECSPXJGOJW-YSSFQJQWSA-N 423.535 1.729 30 10 HDEE CCOCCCN(C[C@H](C)C(=O)OC)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1538346954 WNDMHKWUKLULEU-FUHWJXTLSA-N 415.490 1.975 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1539202377 HOGJKAWFMDJHGW-KRWDZBQOSA-N 421.567 1.623 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1539343975 ULKXHBRSJPRWJN-INIZCTEOSA-N 410.588 1.470 30 10 HDEE C#CCSCCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1539530299 FHLURIMFFSUMIF-GOSISDBHSA-N 412.581 1.254 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1539533135 KOAUAKCYFGXSAA-FTRWYGJKSA-N 421.567 1.331 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1539750476 AAJBGPSJJBKILP-QGZVFWFLSA-N 401.515 1.435 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCC)CC1 1540686097 KPUFMJYJFVRMPI-AWEZNQCLSA-N 402.923 1.303 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)CC2)cc1 1540728642 OTMICKZZKLYNEB-HKUYNNGSSA-N 403.504 1.739 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1541104296 UHOVKXUDHYITTJ-STQMWFEESA-N 405.409 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)[C@@H]2C1 1542978669 VAHWRLPWLYTCHT-HNFGVNHASA-N 404.467 1.132 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)CSc2ccc(S(N)(=O)=O)cc2)c1 1543231141 KTIVPPNLFFFGIS-UHFFFAOYSA-N 417.512 1.505 30 10 HDEE C#CC[C@H](NC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C(=O)OC 1556970695 FNJAYVXTWKJWFB-HNNXBMFYSA-N 404.467 1.369 30 10 HDEE N#Cc1ccccc1/C=C/C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1557382571 BLZDCVCWOVQJEQ-ZHACJKMWSA-N 410.499 1.750 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1565156132 CDYCNKMSCKSHCM-HNNXBMFYSA-N 419.478 1.218 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 1565815797 RTTAGUCWNDGSKD-YBFXNURJSA-N 415.559 1.867 30 10 HDEE Cn1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc2cc(Br)cnc21 1585139670 ZLZVRPWIVNVDGJ-ZBEGNZNMSA-N 423.292 1.346 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2cccnc2)ccc1F 1586475522 LQIQFUVJAIPUND-INIZCTEOSA-N 407.423 1.329 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1587813963 ZSRDSQAOKBUDLT-HOCLYGCPSA-N 404.471 1.685 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(O)c1 1589053122 HSPUQWMXXSYASE-OAHLLOKOSA-N 415.519 1.946 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)(F)C1 1593636445 LYRVUMSDZFMRBX-CQSZACIVSA-N 419.498 1.669 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 1594013573 IDMQICNGVVEHHZ-QWHCGFSZSA-N 405.471 1.469 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)Cc1cnn(C)c1 1595501538 XFEQCARRNKMCIP-UHFFFAOYSA-N 404.478 1.879 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595556406 ULMYWXJJXHYRCY-QRTHJKPMSA-N 413.497 1.907 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCN(C(C)C)C1 1608399447 CDIDQWVXZBGIPX-OXQOHEQNSA-N 405.522 1.979 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3[C@H]3CC[C@@H](COC)O3)cc2C1=O 1611079039 SOPUOUPIYMDGSG-KFKAGJAMSA-N 414.458 1.504 30 10 HDEE CC[C@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1613419931 FQUHCHSZOSNCMG-FJIDUMEYSA-N 406.531 1.461 30 10 HDEE CCO[C@]1(c2nnc(N(CC)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1616169355 JSGOXHUOTZFIMW-KBZZJAQTSA-N 418.498 1.303 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1=O 1618550434 DUQMPXACNOVOHC-IAGOWNOFSA-N 402.517 1.161 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1620348432 VDEADANQCOWGAZ-UEXGIBASSA-N 415.469 1.881 30 10 HDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1nncn1C 1621798590 OZFJNPJSQWTVEL-CYBMUJFWSA-N 411.281 1.725 30 10 HDEE N#Cc1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2n1CCOC2 1623340299 NLVGPCRMNQPWDC-UHFFFAOYSA-N 415.475 1.712 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C#N)cn1CC 1625717803 CQZPKQCJYGJLSL-CYBMUJFWSA-N 410.496 1.845 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1629613169 WKHJYOLYSRJJLR-CABCVRRESA-N 407.448 1.127 30 10 HDEE C[C@@H](C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)n1cnc(C#N)n1 1632865909 SPUXMACFQVSENI-GTNSWQLSSA-N 404.268 1.509 30 10 HDEE C=CC1(CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1634252893 ZHUDULXDDBBYIL-ZIAGYGMSSA-N 411.499 1.372 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 1634640370 CPDCCJBMQQRLMX-YPNIWSFNSA-N 412.534 1.756 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1634686687 AFLQDMRXUMIPRY-CTNGQTDRSA-N 422.485 1.913 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OCC 1635606003 AUMMVXRKLDSDKS-GFCCVEGCSA-N 423.853 1.755 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1636289275 QIKRWDPRTVHVRS-DLBZAZTESA-N 417.462 1.915 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1636596753 QDXPYXGUUMEJEP-HUUCEWRRSA-N 403.545 1.776 30 10 HDEE CCc1c(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 1638851053 SHFMJHQPXPASRH-UHFFFAOYSA-N 419.485 1.817 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)C2)nc1 1638911998 ZWSCRBXKMSEZBE-INIZCTEOSA-N 405.462 1.001 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC4(CCOCC4)CC[C@H]3CO)CC2)o1 1638915474 KJZKELOOAJDKJC-KRWDZBQOSA-N 402.495 1.851 30 10 HDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1639873816 GVHMTDLRZLCWPA-RTBURBONSA-N 424.538 1.509 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H](CO)Cc3cccnc3)CC2=O)cc1Cl 1640158900 IFSRSNAKHHDRCO-WBVHZDCISA-N 412.877 1.927 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1nc(C#N)cs1)N2C(=O)OC(C)(C)C 1645702804 MLPGIFNXRJRPOL-NZBPQXDJSA-N 420.491 1.818 30 10 HDEE C#CCN(CC(=O)N1CCN[C@H](Cc2cccc(OC)c2)C1)C(=O)OC(C)(C)C 1648117948 RLWHPLAETBBRRU-GOSISDBHSA-N 401.507 1.908 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N 1648432491 ILQYQFOTDRRJPD-DOMZBBRYSA-N 408.478 1.967 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)ccc1F 1650841380 XTLYDVKELYAANM-OAHLLOKOSA-N 412.483 1.294 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2OCCC(C)C)CC1 1650846098 KCIHCEXMKWVJGB-UHFFFAOYSA-N 423.535 1.346 30 10 HDEE C[C@@H](CO)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1654980962 FDYODRYADMPBMZ-LAUBAEHRSA-N 402.514 1.875 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](OC4CCC4)CC3)CC2)o1 1655365848 AONASTJYPAAKAI-SFHVURJKSA-N 401.511 1.927 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1655391522 GDJLIWRYWMCJJU-OTWHNJEPSA-N 424.519 1.677 30 10 HDEE COCCN(CCC(=O)OC(C)(C)C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1655829631 CXNYFGZEDKMXAG-SFHVURJKSA-N 410.559 1.359 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1656040515 AUAPMTBQSLPMDE-AAEUAGOBSA-N 400.840 1.327 30 10 HDEE COC(=O)CNC(=O)CCN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1660442528 UKJGVODGMJZBEH-OCAPTIKFSA-N 412.277 1.769 30 10 HDEE C=C[C@@H](C)ONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1666930679 RYPHWMCFSCZJKF-OAHLLOKOSA-N 424.523 1.935 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1672199507 CXAFHRYZXNMVSP-INIZCTEOSA-N 413.459 1.674 30 10 HDEE C#CCN(C(=O)Nc1nnc(C(F)(F)C(F)(F)F)s1)[C@H]1CCS(=O)(=O)C1 1672308073 AXMATRGFRSMJRT-ZETCQYMHSA-N 418.369 1.846 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)C(C)(C)c2ccccc2)CC1 1679251286 UQQPRYIUBMJWML-GOSISDBHSA-N 406.552 1.538 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1683289106 NFWCAOLYGMRCTN-GOSISDBHSA-N 412.490 1.177 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)O2)C1 1684136485 YUTFJYNMFXTBSP-IRXDYDNUSA-N 419.526 1.537 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(F)ccc1N(C)C 1684840162 PMTXSMUOWDQYHR-LLVKDONJSA-N 400.414 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CCO[C@@](C)(C#N)C3)c3nccn32)C1 1685543350 JDLUTUVBXZXHOZ-KUHUBIRLSA-N 416.482 1.598 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCCn2cnc(C#N)n2)C2(CCC2)CC1 1686407003 DFHPSFKPKHGIMY-UHFFFAOYSA-N 403.487 1.725 30 10 HDEE C=CCOCCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1687075129 ZZOKMMBMZFUKNR-KRWDZBQOSA-N 424.542 1.832 30 10 HDEE C[C@@H]1CCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1687760672 HWXNYANQGTUZNX-MRXNPFEDSA-N 405.524 1.058 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cnnn1 1689848224 QWHJAHVRJNFLMC-CYBMUJFWSA-N 404.438 1.129 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2CCOC[C@H]2C1 1689921129 VJNZFBXGTXXSQQ-GOSISDBHSA-N 411.506 1.897 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1689926318 NFQYWHHNZARGQD-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1689944215 MOCAVQCBZNRNQT-UHFFFAOYSA-N 408.466 1.348 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)COCCO1 1690009578 BMEHIPUJZYKGCM-JOCHJYFZSA-N 408.458 1.595 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1690082451 BSLRDVJBMXORDS-UHFFFAOYSA-N 400.527 1.699 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1690083496 HUCQWTPZBNCLSQ-UHFFFAOYSA-N 422.489 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1690120222 MALNVEUXWWHSCV-FQEVSTJZSA-N 424.597 1.802 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1690285809 PKKBZSUAUKBDQK-INIZCTEOSA-N 410.478 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1690727147 VKZGBEIISLTAEB-FQEVSTJZSA-N 414.535 1.995 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1692341649 RIRNYHSHDHVGIL-ZWKOTPCHSA-N 418.542 1.820 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1692664014 RLECKPHVABOPOK-OAHLLOKOSA-N 401.515 1.445 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1694786718 POSXQLLDCRUICZ-DYESRHJHSA-N 410.478 1.337 30 10 HDEE COc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1697636541 FOGXQLIIEBHLKU-QGZVFWFLSA-N 408.466 1.320 30 10 HDEE C=CCCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1703002861 GOIHYSZQCCJLKO-DZVNLGKHSA-N 403.523 1.794 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1705510549 RWRZUQFQPVMQCW-SJLPKXTDSA-N 423.583 1.945 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705560870 OEAKDUMOENOWAC-HAWMADMCSA-N 412.581 1.329 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1705569666 JCTYMCIWZXOUIS-SFHVURJKSA-N 417.535 1.053 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705819879 WJVDNPDTGLLUEM-GJZGRUSLSA-N 422.511 1.416 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C)C1CC1 1705854107 ISZITWNLGPOQHP-CQSZACIVSA-N 419.555 1.730 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1710482141 AVVWNMGEJBTYNM-WIYYLYMNSA-N 418.542 1.535 30 10 HDEE COCCN(C)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1712427771 XFOHXPKPUFTDST-OAQYLSRUSA-N 420.558 1.637 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1722277306 LSXITEWCPGHJTD-ZBFHGGJFSA-N 416.478 1.844 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1722353185 SVKVZMATGCYNEJ-SFHVURJKSA-N 413.547 1.680 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CNC(=O)OC(C)(C)C 1722371611 YIQUPHCXMUGREP-MRXNPFEDSA-N 416.526 1.650 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1722378602 VTJSTQYAESFNRJ-UHFFFAOYSA-N 420.498 1.369 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCCO[C@@H](C)C1 1722382818 OPDRRXFEHBOTRY-FQEVSTJZSA-N 406.534 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC1 1722398768 CKFUQPFOVLUDHV-UHFFFAOYSA-N 404.518 1.592 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1722402971 JHLASFDVJVPEPA-UHFFFAOYSA-N 408.506 1.712 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2nccs2)CC1 1722432883 ICVRFVAARFLBEF-HXUWFJFHSA-N 416.551 1.385 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ncn(-c3ccccc3)n2)CC1 1722441299 KJMNYSPTHASIHU-UHFFFAOYSA-N 406.494 1.199 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722617428 JVDSWEJXAPCFID-JKSUJKDBSA-N 402.499 1.515 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1722701567 VBBJXARIZVCPBB-UHFFFAOYSA-N 424.549 1.814 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCOCC1 1724589983 DOJDXBOVUXUDCX-KRWDZBQOSA-N 410.478 1.231 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740565573 XFKQUNUFARLMGJ-OALUTQOASA-N 414.554 1.475 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1740589124 PNEBNTQRJADVHL-AEFFLSMTSA-N 401.511 1.665 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740622035 SPUALZJVKMHHTC-DLBZAZTESA-N 415.519 1.603 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740850671 JDCUVJWPQUFQNO-NVXWUHKLSA-N 423.583 1.840 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(=C)CC1 1740959218 NWSSHYANZIMVOV-UHFFFAOYSA-N 419.489 1.651 30 10 HDEE C=CCOc1ccccc1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)CC1 1740969249 LOIAFKAKCZDJRY-UHFFFAOYSA-N 417.535 1.850 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1740980991 NJJTYWZQZLWLPU-GVDBMIGSSA-N 410.540 1.388 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1741733540 WTSBWZLIBAWJFW-WIYYLYMNSA-N 418.542 1.533 30 10 HDEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCOC1(C)C 1743379663 BVKAQGBERQXVNV-OAHLLOKOSA-N 412.494 1.821 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)[C@H]2CCN(C)[C@@H]2CC)CC1 1748035636 IALSEKGROQNRNC-XNTOXWQXSA-N 401.551 1.737 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1748714368 ZRBDMOCDDIFLIJ-UHFFFAOYSA-N 419.555 1.248 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1748730070 DHYURCCQQMKIBM-UHFFFAOYSA-N 418.505 1.521 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1748846304 FWRMCBSBPVFXSE-MSOLQXFVSA-N 410.499 1.257 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)c1ccco1 1748887476 ADPHWDZHASATFX-JOCHJYFZSA-N 421.457 1.969 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1748906501 WAZJFRMKSAFVJI-GTPINHCMSA-N 411.572 1.943 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1748929908 SIIHYOCORDMZSZ-QGZVFWFLSA-N 418.567 1.993 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC(=O)N(C)C)CC1 1748993676 HUGTTWWBRDVGAJ-UHFFFAOYSA-N 405.506 1.194 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749019682 DFVFWELNGCBFMV-QGZVFWFLSA-N 413.551 1.057 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1749199237 KNVAUQBIMVZKEA-SFHVURJKSA-N 404.559 1.914 30 10 HDEE C=CC1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1749347409 ASWNQYOXFPNEIG-UHFFFAOYSA-N 405.466 1.703 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCCC)C1 1749715206 QQYOITVKBYLHDT-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1749731288 ARWPXDZFXBHLOI-QAETUUGQSA-N 421.567 1.845 30 10 HDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cnn1C 1751363535 DXPXFYLYQRNAFN-OAHLLOKOSA-N 404.478 1.574 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCOCC1 1760205296 WYDANCTUTUOMBC-UHFFFAOYSA-N 418.501 1.521 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1760263715 MINSDMQFBOADMS-HXUWFJFHSA-N 422.533 1.635 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1760322494 TYNLPXZSVAAKGL-PXNSSMCTSA-N 405.543 1.753 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1760322693 WFNILMWUCFJRFL-NUJGCVRESA-N 424.567 1.777 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCCCC2)CC1 1760397430 SRUIFTOQFAVRDK-INIZCTEOSA-N 410.588 1.777 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760455701 WXGGJSZRUAXJBM-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2CCOC[C@H]2C1 1760567906 QDMLOKRQTOSUCK-GOSISDBHSA-N 400.552 1.704 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnnn1C 1761035757 BZMIEPCPMXQHCS-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1761362012 UQTSJNCXPJBSSX-MVZUJROASA-N 420.477 1.529 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1761363223 LQSBMJRCCPLPNQ-HRCADAONSA-N 410.544 1.334 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCNC(=O)c2ccco2)c1 1770735301 HNJJHXUAOAMQQI-UHFFFAOYSA-N 419.445 1.166 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789590 VLUUXUSCDAOCSO-HXUWFJFHSA-N 420.393 1.716 30 10 HDEE Cn1nc(OCC(=O)N2CCN(CCC#N)CC2)c2cc(Br)ccc21 1848448980 RWRUJUBJMYYMDT-UHFFFAOYSA-N 406.284 1.772 30 10 HDEE C=CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c1cccc(C)c1)[C@H]1CCN(C)C1=O 1849201840 RFWRPCNMFSTJHX-OALUTQOASA-N 421.563 1.933 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)CO2)nc1 1852469054 VZZKXSWMISTPKS-FUHWJXTLSA-N 410.405 1.804 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1852496667 FYYLYBLQUJNAGH-STQMWFEESA-N 405.886 1.648 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)NCc4ccnc(C#N)c4)cc3C2=O)cc1 1852504102 GUSPOJYIJBPGTO-UHFFFAOYSA-N 416.441 1.744 30 10 HDEE C=CCN1C[C@@H](C(=O)N(CC)c2cc(N3CCOCC3)nc(SC)n2)CC1=O 1853224057 MQTPSLWUIOTKGJ-AWEZNQCLSA-N 405.524 1.423 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2cccnc2N2CCC[C@@H](C(=O)OCC)C2)CC1=O 1853302641 QTKAHVIXOBYSQK-HZPDHXFCSA-N 400.479 1.834 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1853789108 ABBXGWCRWWWGHJ-GOSISDBHSA-N 418.519 1.304 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)ccc1F 1853941353 GBENMIRMGPUEAK-UHFFFAOYSA-N 415.446 1.608 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CCN1CCCC#N 1854270574 WNQFOGYVJWBGRD-ZFWWWQNUSA-N 406.870 1.879 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@@H]1C 1854330115 CQYDPUDBILXSME-GJZGRUSLSA-N 401.463 1.302 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(Cl)cc2Cl)C(=O)C1 1854460730 IGQPOOHWIIIXMK-UHFFFAOYSA-N 404.275 1.450 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1 1854643359 KYHZEFDZKWKYAU-UHFFFAOYSA-N 411.483 1.939 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn([C@@H]3CCOC3)c2)CCN1Cc1ccc(C#N)cc1F 1855015628 WXXYKCQVCUSVMM-KBXCAEBGSA-N 411.437 1.728 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)CN3CCCC3=O)C2=O)CC1 1855062818 DVMWNHNJRUWPON-SFHVURJKSA-N 409.490 1.273 30 10 HDEE CN(C)c1cc(N(C2CC2)C2CCN([C@@H]3CCN(C(=O)CC#N)C3=O)CC2)ncn1 1855252962 PMINDIPYCIZZMH-QGZVFWFLSA-N 411.510 1.017 30 10 HDEE CN1C[C@H](C(=O)N2C[C@@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)CC1=O 1855860928 BHDNDLUITFYPHC-QZTJIDSGSA-N 408.502 1.397 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@H]2OCCc3ccccc32)CO1 1856782534 DNYWFUZVMAIBCJ-LPHOPBHVSA-N 414.439 1.720 30 10 HDEE CN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4ccc(C#N)s4)CC3)CC2=O)CC1=O 1856901723 HBDYMDXFGMRDLT-CVEARBPZSA-N 414.531 1.685 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccccc3Cl)C2)CC1 1857041819 NCQXGGXEMLKCQH-INIZCTEOSA-N 423.922 1.823 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCC[C@H](N2CCC(CC#N)CC2)C1=O 1857192668 OXAFVPYTUWAPSC-ROUUACIJSA-N 424.567 1.334 30 10 HDEE Cc1ccn2c(=O)cc(CN3CCC([C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc2c1 1857231466 WSQJRHXJQOGNJV-QGZVFWFLSA-N 407.474 1.504 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CC[C@H](N4CCC(CC#N)CC4)C3=O)CC2)nn1 1857357146 VUHSNSLYTQNVAH-IBGZPJMESA-N 410.522 1.755 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870758047 MDRRPSHXGXDONU-UHFFFAOYSA-N 424.501 1.716 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(O)cc2)CC1=O 1874338679 UZQBXEIUTCMVMY-GNZXAGPDSA-N 402.480 1.168 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC(C)(C)C#CC(=O)O)C1 2138046203 ZTZJXZQALCVIKS-IIBYNOLFSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2174788209 BZBMNXBENMDOGT-MZHQLVBMSA-N 414.509 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)=NO2)C1 2195308396 ZRJQARDQWPDAFP-APPDUMDISA-N 401.485 1.420 30 10 HDEE COC(=O)CCS(=O)(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202302066 WJZJVZMLOBRYND-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243405886 OSGBAGPIZOLJNI-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CN(CCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)OC(C)(C)C 2243405954 PTAQBVMOBHXRPO-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CC(C)(C)OC(=O)NCCOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247863927 YCWMBEKBQLZYMJ-UHFFFAOYSA-N 424.303 1.850 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 2248246674 NTJPCMWEZMPRSE-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2255607581 AUOMZCUYPFVQGS-OPAMFIHVSA-N 423.326 1.119 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258176915 YHVKUHADCYSXIH-INIZCTEOSA-N 410.492 1.677 30 10 HDEE C=CC1CC(N(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258179220 JKUHHMCPIMWDDX-PREGVCBESA-N 410.492 1.681 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSC[C@@H]3CO)s2)OC1(C)C 2267372019 IKLAHFFNXGWDNU-NSHDSACASA-N 405.372 1.146 30 10 HDEE CC1(C)SC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267468726 MEGQIMYBYIPFTJ-LLVKDONJSA-N 404.388 1.756 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](O)CC1 2282300713 KASQTIQJOWYRLT-BETUJISGSA-N 401.359 1.938 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282313592 NCWWKWOFNSPCKT-RUZDIDTESA-N 406.310 1.388 30 10 HDEE CCNC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282499815 FYPPNSSIORNBIR-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE CC(C)[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512408 SIMNBGCKTJDMQI-HNNXBMFYSA-N 403.737 1.934 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC[S@@](C)=O 2282824338 AKUQTYRVGUPZAE-RUZDIDTESA-N 421.415 1.793 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCC[C@@H]2N)OC1(C)C 2282831573 ARUQIELUWOUSMF-UONOGXRCSA-N 400.737 1.797 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1COCCO1 2282834908 OANMOMBXOPNFHA-GFCCVEGCSA-N 403.331 1.049 30 10 HDEE CN1CC[C@H](CN(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855915 KYSXSSCJHOAGBS-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CN(C[C@@H]1OCC[C@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866026 CCVIBEMRYBNQCR-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC(F)(F)CN)ccc2Cl)OC1(C)C 2282866829 PMUPFIVQNKXVRJ-UHFFFAOYSA-N 410.679 1.512 30 10 HDEE CC(C)C[C@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282878273 CZCPHDPNAGBKIH-CQSZACIVSA-N 403.375 1.874 30 10 HDEE C[C@H](C(=O)O)C1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284402610 OJHYXUGNCTWZRE-JTQLQIEISA-N 401.315 1.389 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)O 2289601265 CMIBOLKCGMJOMZ-ZDUSSCGKSA-N 403.501 1.748 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1C=Nn1c(SC)nncc1=O 2321661035 XLOAHWOIFZMVAF-UHFFFAOYSA-N 403.420 1.528 30 10 HDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccco1 2325917686 WNWRWEAZVBZWDH-HNNXBMFYSA-N 424.486 1.847 30 10 HDEE COc1cc(OC)c(OC)cc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CCCO1 2330938679 JOKGYLFSKOMPJK-LBPRGKRZSA-N 421.479 1.615 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338650072 ZEMPXSGJJJBTKS-ZIAGYGMSSA-N 402.538 1.746 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCSCCO)ccc2F)OC1(C)C 2360814874 TYHMQSBIFODELV-UHFFFAOYSA-N 405.322 1.129 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2365208711 DKAAONROQSARMI-HVEKOLDVSA-N 402.557 1.599 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2367809949 RZTOCLMOFQTVMH-HRCADAONSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367810726 ANPWKPSCZFTDHD-QMTMVMCOSA-N 400.541 1.483 30 10 HDEE CC[C@@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367829415 ZITXJVFMNOVJMW-DNVCBOLYSA-N 400.541 1.292 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372918175 YWDXEYZVKXEIEU-KBXCAEBGSA-N 402.513 1.209 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(O)c1 18038890 IZQJQCRYPLOMDS-UHFFFAOYSA-N 401.444 1.419 30 10 HDEE COc1ccc(CNC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc1 20423991 TYOPIYNEYJWZHN-AWQFTUOYSA-N 414.495 1.710 30 10 HDEE C=CCNC(=O)[C@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)C2CC2)CC1 36211651 SYMJIRJVRKZAPN-LJQANCHMSA-N 413.474 1.465 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCN(Cc3cscn3)CC2)c1 303157589 HBROBUHZVUNNOU-UHFFFAOYSA-N 418.544 1.403 30 10 HDEE C#CCN(C(=O)c1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 320954267 ICNANOHDPARZAA-LLVKDONJSA-N 401.238 1.620 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@H](C)n1cnc(C#N)n1 409629475 HYMPLJZETYAMIC-NSHDSACASA-N 405.256 1.927 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435439675 WGCOOCFJFVVUFI-CJNGLKHVSA-N 412.471 1.467 30 10 HDEE COC(=O)CC1(NC(=O)Nc2ccc(OC(C)C)c(C#N)c2)CCS(=O)(=O)CC1 439703084 PERWUHXDGBYMJB-UHFFFAOYSA-N 423.491 1.977 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1OC 443322067 RDRRCYNTIYHTJD-UHFFFAOYSA-N 422.507 1.841 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2)n(C)n1 445111288 BAYQAJKFTYLYBC-MRXNPFEDSA-N 405.466 1.971 30 10 HDEE Cc1cc(C)nc(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 462090200 DDLGSDHFGYYBEY-UHFFFAOYSA-N 403.450 1.900 30 10 HDEE C(#CCN1CCN(Cc2ccncc2)CC1)CN1CCN(Cc2ccncc2)CC1 472591207 PVPCAJNRCCACFB-UHFFFAOYSA-N 404.562 1.415 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C1(c2cc(F)cc(C#N)c2)CC1 481330327 LRAHERBWCDWTSC-UHFFFAOYSA-N 417.462 1.914 30 10 HDEE CC(C)N1C(=O)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1(C)C 482406100 ZQDHQCSDQQGFLY-CQSZACIVSA-N 406.508 1.083 30 10 HDEE CC(=O)N(C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482505162 HPSWJFKJFZFDEZ-ZDUSSCGKSA-N 400.460 1.846 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)cc1 483502520 LTNDDZSVUQEMFU-HOCLYGCPSA-N 416.507 1.896 30 10 HDEE CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 494409355 GISASOKCGWTNIT-UHFFFAOYSA-N 417.528 1.709 30 10 HDEE CN1CCN(c2cc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)ccn2)CC1 499610490 KOGALXRKVRKURL-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCCS1(=O)=O 505213109 HOQXUVWCHFJYCX-IBGZPJMESA-N 405.520 1.988 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 508825496 FLAWPNWWEKCAHN-HUUCEWRRSA-N 415.585 1.375 30 10 HDEE C=C(C)CN1CCC(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 518496947 MDFKRZNAVIPMAN-OAQYLSRUSA-N 410.518 1.619 30 10 HDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)CC1 522109590 DWGFUXILOUZGLR-UHFFFAOYSA-N 408.527 1.444 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(O)nc3)CC2)ccc1Cl 531430110 CNTSMQQHSWPIIF-UHFFFAOYSA-N 406.851 1.459 30 10 HDEE COC[C@H](NCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1ccc(F)cc1 538277770 XVAGEEJJGXQGFR-SFHVURJKSA-N 401.442 1.620 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)CC2)n1 544877761 DZIHSCUKZWHCBI-UHFFFAOYSA-N 405.418 1.364 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)n1 545464600 GSDDCJXQBWGGOJ-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C)c3=O)s2)cn1 548861606 YQABKNRWOIZBSV-UHFFFAOYSA-N 410.524 1.781 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 559140370 LNLJBLNQBKAVMF-ICSRJNTNSA-N 420.579 1.841 30 10 HDEE N#CC1(CS(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCC1 569741825 BCJQMLRTLNPCPE-UHFFFAOYSA-N 410.927 1.602 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CCN(c2nccn(C)c2=O)CC1 569909364 PYMQCCRZWLHARF-UHFFFAOYSA-N 406.494 1.260 30 10 HDEE CCOc1ccc(CCNC(=O)C[S@](=O)CC(=O)N(C)CCC#N)cc1OCC 586302533 WPPVJJVFZDPHMM-LJAQVGFWSA-N 423.535 1.263 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 603937732 WEYUPDBOKPKQSB-UHFFFAOYSA-N 421.479 1.173 30 10 HDEE CCCC[C@H](NC(=O)NCC)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 610917873 GMLISCDCFKQFJJ-HNNXBMFYSA-N 402.499 1.950 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669808039 IASIKDOAELYBKM-GHTZIAJQSA-N 423.565 1.829 30 10 HDEE C=CCOCCNC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 679503311 LNTYTMHPFGFGHJ-UHFFFAOYSA-N 401.467 1.775 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](CN2CCCCCC2)C1 728530047 BPMYLOYBIGIBHG-QGZVFWFLSA-N 418.563 1.840 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2ccc(S(N)(=O)=O)cc2C#N)C1 742420135 ZMNPRLBZGFZUCB-GFCCVEGCSA-N 418.441 1.833 30 10 HDEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)ccn1 746992199 PENMTFJJFIUWFU-UHFFFAOYSA-N 410.249 1.737 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1nc(C)no1 747334028 MZHPLDKYPDXRLF-CQSZACIVSA-N 405.480 1.334 30 10 HDEE Cc1c(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)cccc1S(N)(=O)=O 754324710 FJHUGJDTBKCCPM-UHFFFAOYSA-N 407.835 1.963 30 10 HDEE N#Cc1ccc(C(=O)NS(=O)(=O)c2cc(Br)cc3c2OCC3)cn1 756111236 UQEDSKSJNOYCEP-UHFFFAOYSA-N 408.233 1.769 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 756112666 DPAKDWCFEAWVSL-FZMZJTMJSA-N 401.423 1.898 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 756751481 QIFHJTQLBZYVMD-VXGBXAGGSA-N 416.293 1.540 30 10 HDEE CCC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 761852795 LCKLJCHXZVQACL-GDBMZVCRSA-N 413.503 1.637 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cn1 765145367 IDSGKCPXLVONKW-UHFFFAOYSA-N 423.498 1.425 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 774689780 RJJDHOOQHRMRAJ-QZTJIDSGSA-N 414.462 1.322 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780949945 PIRNMNBNNDBMJP-QFIPXVFZSA-N 408.502 1.881 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](C(F)F)C1 801420458 WSQURUAZZIRTDT-AWEZNQCLSA-N 415.462 1.778 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCCOC2)C1 807896570 SKLVFEOSFCZGKE-MRXNPFEDSA-N 405.520 1.923 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)c2nc3cc(Br)ccc3o2)C1=O 1132430987 PBWBPKRBSXDGNS-UHFFFAOYSA-N 421.207 1.530 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 1136392990 ALBBLKFCBVJUSY-JXFKEZNVSA-N 411.568 1.617 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1136524664 JWQVKADOISBTHU-QGZVFWFLSA-N 419.323 1.804 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)CC1 1140132811 PKBABAWIIYENLW-SJORKVTESA-N 408.543 1.210 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)C#CC(C)(C)C)CC1 1141662965 LUGSISCKYMHYMG-UHFFFAOYSA-N 410.492 1.565 30 10 HDEE N#CCCN(C(=O)CN1CCCC2(CC2)S1(=O)=O)c1ccc2c(c1)OCCO2 1143799354 FXEPOTJLFCFOTR-UHFFFAOYSA-N 405.476 1.663 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@@H]1CCOc2ccc(Br)cc21 1146862848 ZTQBAKOAGHEYNC-QWHCGFSZSA-N 406.236 1.333 30 10 HDEE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cn1 1147764649 QEWNTRSMYVSXJU-RDTXWAMCSA-N 404.467 1.998 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1148314384 JYLGKKCUAUIAGZ-UHFFFAOYSA-N 417.491 1.226 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1OCCO1)C(=O)OC 1152692715 ASAOAKNQZHJGQX-UONOGXRCSA-N 400.472 1.657 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(Cn1cccn1)C(=O)OC 1158752821 UADPMOLVGVNRPL-ACJLOTCBSA-N 414.890 1.967 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1169301755 XPAXTNRFRMULSW-QGZVFWFLSA-N 402.495 1.907 30 10 HDEE N#Cc1cccc(ONC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)c1 1171255425 KTVQDFGFZIRINF-UHFFFAOYSA-N 400.441 1.894 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)CC1 1175853843 JVFDXWBRBVSYNZ-UHFFFAOYSA-N 400.884 1.512 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)C(=O)/C=C\c2ccc(F)cc2)cn1 1177713070 NXKJCZXRJUNWAW-CTEOGUNLSA-N 405.451 1.530 30 10 HDEE CCc1noc(COCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1183324209 CIXJMNVMCMIPPP-UHFFFAOYSA-N 410.228 1.332 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)cc(C)c2O)CC1 1207302853 ULPHZQFNTCOSJH-UHFFFAOYSA-N 402.314 1.048 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1209371524 RDVQZXJFQQMJMX-UHFFFAOYSA-N 400.435 1.046 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)C1 1248676775 ROWYUMTYRDHPSV-CVEARBPZSA-N 402.461 1.916 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1264351245 VCPUQBJQSXLODW-CCAPLTMGSA-N 402.476 1.705 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1286349649 LKAAQWDUFFTOHD-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1286359958 ADLMUOPXRYCLGP-ACJLOTCBSA-N 409.512 1.075 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1286389584 MTJDBPXTURSHNU-MJGOQNOKSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286392787 NUHXJWIYNTWWBF-MSOLQXFVSA-N 413.547 1.937 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286396386 UPDUKWBGIRCXOZ-XLIONFOSSA-N 424.567 1.350 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C 1286450861 ZXXDYXZGFCRCCR-AUUYWEPGSA-N 403.508 1.269 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2nnc(C)s2)CC1 1286490146 MIRFUIDXYUMMDO-UHFFFAOYSA-N 422.518 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2COCCO2)CC1 1286491990 CDQLTOCRKHNFQM-QGZVFWFLSA-N 403.527 1.248 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1286493612 ODQGPJYKSDJTBY-RTBURBONSA-N 414.554 1.088 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286785396 KQVJBUVQPPKHRQ-NRFANRHFSA-N 424.509 1.071 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(O)c2)CC1 1286786997 AEIGCSCVBJFHLN-INIZCTEOSA-N 412.494 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCOC(C)(C)C1 1286819553 NXMBQSQKOKXUPN-UHFFFAOYSA-N 405.524 1.865 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC=CCC2)nnc1[C@@]1(OC(C)C)CCOC1 1286824424 CSGTZOQWBZUYAI-LJQANCHMSA-N 410.540 1.686 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(C)C)CC1 1286951751 ZQSAYIZRRPDJMU-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1287424159 SUFPWQPBJUPTMO-HKUYNNGSSA-N 406.504 1.587 30 10 HDEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCNS(C)(=O)=O)n1 1289937905 HGBRIAPCRKQIIU-UHFFFAOYSA-N 403.512 1.328 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2nccc2N)cc1 1291831369 COZYHICFVKOSMC-OQKWZONESA-N 404.496 1.697 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C2 1293032754 OMKOKELFIBJNDP-KBCBIMNYSA-N 418.494 1.665 30 10 HDEE CCCN(CC)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1294504632 CNAMHLJQEMAOSU-RHSMWYFYSA-N 415.539 1.062 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1298178639 RCOXFVZKRPMQOJ-CVEARBPZSA-N 410.492 1.366 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)cc1S(=O)(=O)NCC#N 1298552631 JFEQNZHATMAXIT-IAGOWNOFSA-N 417.491 1.181 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1299205361 AQHJDHWRQPFNMN-QFIPXVFZSA-N 421.505 1.400 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)NC(C)C 1300321228 LUEGHXMTPQGVHA-QGZVFWFLSA-N 419.551 1.951 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CC1(C(N)=O)CCOCC1 1300449402 JCJNBUVOYDGSDG-UHFFFAOYSA-N 404.474 1.845 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1300491528 IBDNNMGYVYPJJY-MRXNPFEDSA-N 422.942 1.722 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1300600981 CHRXRNZSVQERAD-CVEARBPZSA-N 410.588 1.468 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCNC(=O)c1ccccc1F 1300665349 YWGXYQVDELQWQZ-UHFFFAOYSA-N 422.464 1.995 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300944143 JHRBJSUIKRRKOM-UHFFFAOYSA-N 405.466 1.132 30 10 HDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 1300992027 ZPCJHUZJIXFGEZ-GOSISDBHSA-N 418.519 1.952 30 10 HDEE C=CCC(C)(C)Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1301159003 SGAPGDBUSZQCIZ-CQSZACIVSA-N 423.543 1.690 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCCOC2)C1 1301589500 TZDKSQZWAFSXSX-APWZRJJASA-N 410.540 1.390 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1301596028 FRTTXDGSRUMBEU-GJZGRUSLSA-N 406.556 1.583 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301617782 HNUOSIIXZOCDHL-GOSISDBHSA-N 418.611 1.893 30 10 HDEE CCOC(Cn1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)nn1)OCC 1302373905 JKGVWNLNNGNWBF-UHFFFAOYSA-N 413.478 1.985 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN3CCC4(CC3)CC(=O)C=CO4)OC2=O)C1 1308117473 TYIMHFPYASIVLI-MRXNPFEDSA-N 406.479 1.877 30 10 HDEE Cn1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)n1 1314934056 AYDAJOBXVRROPB-NSHDSACASA-N 403.809 1.038 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 1315073213 SWQLBGVZPIODRH-UHFFFAOYSA-N 408.553 1.610 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCC2)C1 1316527498 MDDDCCCPIMMLOE-OXQOHEQNSA-N 403.506 1.937 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)c(F)c3)c2)NC(=O)NC1=O 1347505448 QYJPIJHQGWUMES-SFHVURJKSA-N 402.407 1.230 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1358904687 JOPGQMWOBDHZAB-HOTGVXAUSA-N 424.571 1.187 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1358951824 NDZHCUHHVTXXIQ-MRCUWXFGSA-N 420.473 1.495 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(COC)cc2)CC1 1359034251 JLFGBSYXUDEGQX-UHFFFAOYSA-N 403.490 1.685 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cc(C)on2)CC1 1359044627 KKGKXGPTLIVDOW-SFHVURJKSA-N 412.494 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](COC)OC)CC1 1359045066 VSTNZSNJMWYPNH-QZTJIDSGSA-N 419.526 1.147 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1359238205 CFVUCGJWNGNEQG-LHSJRXKWSA-N 410.478 1.354 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](OCCOC)C1 1359299901 PKUWTMZIQDPLBM-IAGOWNOFSA-N 407.515 1.454 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC)C1 1359320856 WMJQJFXUWDGJEY-IRXDYDNUSA-N 412.494 1.853 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)CC)C1 1359323250 KRWIWKFSJVJNIM-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359329573 NPQQECDGSZUHOW-HOTGVXAUSA-N 418.475 1.660 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1360150191 UTZSZSJQLRZAEA-UHFFFAOYSA-N 411.554 1.925 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccnn3)CC2)n1Cc1ccc(C#N)o1 1360238569 SFEPLIBXBYXRNB-UHFFFAOYSA-N 421.465 1.046 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(CS(C)(=O)=O)CCC1 1436782177 LZWIEXGGWXOLSN-CQSZACIVSA-N 401.529 1.905 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC2(CCC2)C1 1439795323 JSTCVVVJLRWWMB-IFXJQAMLSA-N 423.535 1.611 30 10 HDEE N#Cc1c(CCCNC(=O)Cc2nc(C3CC3)n[nH]2)nn(-c2ccc(F)cc2)c1N 1441243311 PJNCQHDYJPGUHM-UHFFFAOYSA-N 408.441 1.752 30 10 HDEE C#C[C@](C)(CC)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1449783299 FHOZJXOLPMWULC-HXUWFJFHSA-N 419.503 1.687 30 10 HDEE C#CC[C@H](NC(=O)c1cnn(C(C)(C)C)c1I)C(=O)OC 1451177503 DVMZPIBGNRXHQN-JTQLQIEISA-N 403.220 1.537 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1453510336 VQKGMKVPWHHTLR-OAHLLOKOSA-N 420.514 1.790 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1453885945 TUCBTFCNWJSLND-QAPCUYQASA-N 411.911 1.635 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1454858796 VSTLSBORKONYJR-IIYDPXPESA-N 405.838 1.259 30 10 HDEE Cc1ccc(Oc2ccccc2NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1459189623 UEENEXJBFNICOZ-UHFFFAOYSA-N 420.425 1.613 30 10 HDEE N#C[C@@]12CN(CC(=O)N[C@H](c3ccccc3)c3nccs3)C[C@H]1CS(=O)(=O)C2 1460828177 GNZBYLQRVHVSMO-WDYCEAGBSA-N 416.528 1.219 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)s1 1466483800 UHTGBNFPWZSQND-CXAGYDPISA-N 400.522 1.209 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H](CO)Cc2cccnc2)CC1 1467796826 MZLFSFVRDMLUFL-IBGZPJMESA-N 401.507 1.999 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)CC1 1468537902 JQQUXKMWIWSZSB-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1471083517 PKTCMGLHQPJCMA-DHIUTWEWSA-N 404.470 1.872 30 10 HDEE C[C@@H](NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc2ccccc2o1 1473850426 NPMORYRCCZXSLT-DHYLWCPWSA-N 401.488 1.869 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CN(C(=O)OCc3ccccc3)C2)CC1 1478802249 HSJHFMAZUJWAQV-UHFFFAOYSA-N 420.473 1.806 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCOC4CCOCC4)CC3)n[nH]2)cc1 1479412193 IYZFMHPMXKOGMB-UHFFFAOYSA-N 424.505 1.976 30 10 HDEE CCc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)no1 1498331122 WRJBMPCVBYNFHP-ZDUSSCGKSA-N 414.857 1.910 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC1CC1 1504972524 GXWDXZHMWYFYBW-YWZLYKJASA-N 404.515 1.658 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C#N)o1 1505071757 FLTMJDUZHJGKSJ-AXHNFQJDSA-N 400.414 1.957 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2COCCO2)C1 1505316826 BHKREAVCCOVXJO-QFBILLFUSA-N 405.405 1.854 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507536931 FROSRAABCWXAPS-KBPBESRZSA-N 405.528 1.033 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1507623638 UZMDIGKFQAACSJ-GJYPPUQNSA-N 412.556 1.206 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(F)cc1 1507712907 SRONURRSXIRXIY-QAPCUYQASA-N 415.469 1.922 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@H]2C)CC1 1507736842 TVFMIOMAXGQZBZ-YLJYHZDGSA-N 422.533 1.979 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCNC(=O)C(C)(C)C 1511891148 FEDRKKTXTZESQC-UHFFFAOYSA-N 409.538 1.943 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1 1524834674 GMNNMVVHOXLLLX-GDBMZVCRSA-N 400.522 1.814 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)c(C#N)cn1CC 1536588781 BDABPLSSPZKUAW-SNVBAGLBSA-N 400.357 1.906 30 10 HDEE N#C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1cccc(Br)c1 1537419347 YHGJGHBFQISDME-AWEZNQCLSA-N 405.256 1.712 30 10 HDEE CN(C)CCOc1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1538310314 UTCPEJYYWIVLAU-ZGYCNENWSA-N 403.504 1.037 30 10 HDEE C[C@]1(CC(=O)Oc2ccc(C#N)cc2I)CCS(=O)(=O)N1 1538616260 PIXMXCFMYBYRBE-CYBMUJFWSA-N 420.228 1.540 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)NC(C)C)cc1 1539174942 NWYAWVRLXXGFFM-QGZVFWFLSA-N 409.494 1.877 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOC1=O 1539175037 QHHWWJUDPXICKM-UHFFFAOYSA-N 407.434 1.506 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1539239349 KVNLGZIOBCYQRN-CQSZACIVSA-N 419.482 1.157 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1 1540876642 XLDGZYLJOULUHV-UXHICEINSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(F)F)CC1 1540898035 YKDQDAQROSBOKA-CQSZACIVSA-N 405.515 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CC)CC1 1540907188 NQNKCUHJYDSCBP-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1543315781 KGFWOFCUPGITLY-UHFFFAOYSA-N 406.450 1.089 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1546532922 GPYDXZABZUPWJZ-RTBURBONSA-N 401.559 1.254 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1554124718 GCTWYRVJRMCIOT-SFHVURJKSA-N 424.505 1.538 30 10 HDEE CO[C@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1554609730 LPQPJIZBELGIJI-WCVJEAGWSA-N 420.514 1.812 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1554689470 YSRVDKHSSZKULD-ZWSWSHGQSA-N 400.483 1.687 30 10 HDEE COCc1nocc1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1555328861 DLZUOPLRIONDCC-HNNXBMFYSA-N 410.434 1.865 30 10 HDEE Cn1cccc1[C@@H]1COCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1556147438 XRIGNIXSDOEQCZ-KRWDZBQOSA-N 416.503 1.444 30 10 HDEE COCCCS(=O)(=O)NCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1557128878 UTMKRXZDMUBDEX-CYBMUJFWSA-N 421.441 1.902 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](CCF)C3)CC2)cc1 1557931830 KTGNEQZBCGUWTH-QGZVFWFLSA-N 409.483 1.546 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cccc(CNc2ncccc2C#N)c1 1558043742 QXMMJYQXZIETOS-GOSISDBHSA-N 424.457 1.990 30 10 HDEE O=C(CN1CCS(=O)(=O)[C@@H]2CCC[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1559836486 SXIJFEOZKBSBOE-IAGOWNOFSA-N 414.449 1.825 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CC1 1561866581 NKMGJUAXTHSSRG-VOTSOKGWSA-N 423.487 1.429 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)CC#N)CC3)C2)C1 1566317544 BUOIXCKFMKBMQW-ZGOJQLDESA-N 415.494 1.358 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)cc1S(=O)(=O)NCC#N 1570579181 NUMOQYXCCHVVFM-SECBINFHSA-N 417.369 1.690 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)[C@H](O)C2CCCCC2)s1 1586431070 IDLWYAIWUJVELC-MAUKXSAKSA-N 416.565 1.173 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)c2cccc(C#CCO)c2)c1 1587574212 LKAHUQCSUWPRLD-UHFFFAOYSA-N 407.430 1.296 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1588482277 PLSBKQDBCMZUON-INIZCTEOSA-N 408.441 1.185 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cnnn1C 1588673512 QCCVIBSZYKXACK-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(C)c2)CC1 1588733463 TZWYVLPEWSGJBV-UHFFFAOYSA-N 410.497 1.765 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1588871495 FQCVBDCOIJFPFL-UHFFFAOYSA-N 424.484 1.421 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1589088844 KNECPDUNMAJAFP-JKSUJKDBSA-N 421.592 1.888 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1595178443 KGCDFNOKSXAPEC-CQSZACIVSA-N 419.507 1.844 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](F)C1 1595758280 ABIOGVVGNRGNIH-HIFRSBDPSA-N 415.535 1.592 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C[C@H]1CCOC1)C1CC1 1595784825 KXUFIEHKZYFPAP-MRXNPFEDSA-N 417.535 1.946 30 10 HDEE CC(=O)N(C)C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1597894573 DJHMGJUDMMAVOR-SFHVURJKSA-N 411.462 1.233 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1603144482 CAHPXJDTGUKLSO-YVSFHVDLSA-N 409.556 1.980 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(C)(=O)=O)CC1 1603609150 TYWWRRVELZJMOX-AWEZNQCLSA-N 423.963 1.810 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2nc(O)c(C#N)cc2C)CC1 1607437928 SDEMYVKUWLVKLO-IBGZPJMESA-N 421.501 1.473 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1612865510 NPTQXRLHHLTJBM-QPQFLAEFSA-N 400.483 1.891 30 10 HDEE CC[C@@H](C)c1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1613173465 UUSHJTIHOFGESK-RMYFCYLKSA-N 410.482 1.744 30 10 HDEE CN(CCCN1C(=O)c2ccccc2C1=O)CCS(=O)(=O)c1ccc(C#N)cn1 1618734964 UKSGZPJLXVTZHI-UHFFFAOYSA-N 412.471 1.345 30 10 HDEE CNC(=O)CCN(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C#N)o1 1618775319 MLCMAEDBZHRECM-UHFFFAOYSA-N 408.462 1.985 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(N)=O)c1 1619911657 BWWRXWCRIAGEPG-UHFFFAOYSA-N 408.466 1.192 30 10 HDEE COCCOc1ncccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1620041053 WVHROCRFUQFIIQ-QGZVFWFLSA-N 421.461 1.537 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)C1=O 1622074577 LEHDDKNZRAMOJA-ZDUSSCGKSA-N 406.913 1.151 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 1626600137 IZAKZZXSVPJAGK-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)c1cc[nH]n1 1630181407 VJOOPZNVCOSOFY-OAHLLOKOSA-N 415.494 1.815 30 10 HDEE NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1632398193 DDPCRCKQHWHRGQ-FQEVSTJZSA-N 411.889 1.668 30 10 HDEE N#Cc1cc(NC(=O)c2nc(S(N)(=O)=O)c3ccccn23)ccc1Br 1635979043 LYQURUDFXDABEF-UHFFFAOYSA-N 420.248 1.868 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2CCC(CS(C)(=O)=O)CC2)cc1 1636360740 TVCOZUKUMIBMJX-UHFFFAOYSA-N 414.549 1.484 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2cccc(C#N)c2Br)cn1 1636419495 QOGYSXQNVZJNNT-CYBMUJFWSA-N 408.256 1.624 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCCc3cnc4c(Cl)cnn4c3)cc2)c1N 1636769263 VVKDQZVHPNLCHX-UHFFFAOYSA-N 406.837 1.995 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(C(=O)Nc4ccccc4)cc3)C2)c(=O)nc1O 1637512924 JZRPLYUONGQLNZ-UHFFFAOYSA-N 415.409 1.770 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](C(=O)OC)[C@@H]1CCOC1 1637689029 YYLBSEBOEZDVEP-RDBSUJKOSA-N 404.891 1.964 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C(C)(C)CN2CCOCC2)s1 1637837083 LKZFNPHDZRCFLN-UHFFFAOYSA-N 415.581 1.324 30 10 HDEE COc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(C)c1OC 1639027744 WMQIDPHTTTUZHZ-AWEZNQCLSA-N 417.487 1.867 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1639988972 BMRJOAXCRVGJQM-WLRWDXFRSA-N 401.492 1.587 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](CO)Cc3cccc(F)c32)c1 1640536839 NWHJZMFXIFUMGX-AWEZNQCLSA-N 402.447 1.549 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 1640645212 CNKQWSNFUUCSHO-LESCRADOSA-N 422.503 1.075 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)[C@H]1c1cnn(C)c1 1641183246 GOEFKCRSEDQAGA-KZNAEPCWSA-N 411.462 1.598 30 10 HDEE CC1(C)CO[C@H](c2cccc(F)c2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1641513876 AYQHRVIKVDHEDV-INIZCTEOSA-N 400.410 1.728 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 1642570417 HLFQMMROSZDTBV-IAGOWNOFSA-N 400.589 1.154 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)ccc1Cl 1644115604 FAISHGGYKLFNNC-WOJBJXKFSA-N 402.882 1.880 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1 1644209406 CTNSTEGQDBTZDE-SFHVURJKSA-N 419.503 1.336 30 10 HDEE C[C@@H](CC(=O)NCC1CCN(CC2CC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1646590818 CQDZDGJOCUWFSC-HNNXBMFYSA-N 418.563 1.742 30 10 HDEE COc1ccc(C2(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCCC2)cc1OC 1648028416 AQKBFOUZDBLXDL-UHFFFAOYSA-N 424.457 1.733 30 10 HDEE O=C(Cn1ncc2ccccc2c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811318 BQHVWWOJJJCIHK-UHFFFAOYSA-N 406.398 1.301 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2CCOC23CCOCC3)CC1 1656427437 YSKJYEWLNDLWDI-WOJBJXKFSA-N 416.497 1.462 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)n1 1658505196 SERCLXKMQCJDTB-MSOLQXFVSA-N 404.511 1.155 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1662781994 DBOLSMFSECKYHR-HKUYNNGSSA-N 406.504 1.699 30 10 HDEE CO[C@H](CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 1663140440 BGSSVKVUNGTRAJ-VQTJNVASSA-N 413.499 1.966 30 10 HDEE CN(C[C@H](O)CN(C)S(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)OC(C)(C)C 1663656939 AUZULENFJJCADG-AWEZNQCLSA-N 401.460 1.546 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nc(C)cs3)cc2)CC1 1666616367 MEVIJYBZLCCESL-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ccnc(-n4cncn4)c3)C2=O)cc1 1672352587 JBWHDUNFQCDCSE-GOSISDBHSA-N 416.445 1.134 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCCC3)CC2)cn1C 1674485140 CEWNFXKUZHJBOX-UHFFFAOYSA-N 408.528 1.219 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc4c(c3)CCNC4=O)C2=O)cc1 1679126948 DLLOEEFFEWVOJG-LJQANCHMSA-N 403.442 1.767 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1cc(OC)c(O)cc1Br 1680909003 FRXPBLLPIVCLEH-UHFFFAOYSA-N 407.286 1.563 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1681226257 DJIBCXBDVYTRDF-GOEBONIOSA-N 404.467 1.793 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C2CCCC2)CC1 1689913919 XSCDLBMHNPYKJG-KRWDZBQOSA-N 422.599 1.756 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1689980888 ZAFOMRZFMNJJDF-APWZRJJASA-N 406.508 1.331 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1690015117 ASTBSPOZYLBSOU-MRXNPFEDSA-N 423.473 1.376 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1ccc(C)cc1 1690107830 DUJQSHZFJXCPHM-LJQANCHMSA-N 411.506 1.954 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCOc2ncccc2F)CC1 1690120172 JRTOZYDFLSKLSD-UHFFFAOYSA-N 407.453 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690663239 QNXKZDVRDJETOU-HNNXBMFYSA-N 407.478 1.176 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690663591 BBFQQTLWODDNFU-JOCHJYFZSA-N 408.506 1.526 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1690669057 SFUBILAYKICKNU-ZDUSSCGKSA-N 424.431 1.110 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1690676350 XIRLANACIIRZGL-IYBDPMFKSA-N 415.494 1.782 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)nc2)C1 1690697135 PGEYKEMCKKUJAV-IRXDYDNUSA-N 411.510 1.520 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N(C)C1CC1 1690728939 BQMYZDJLQSVETB-UHFFFAOYSA-N 409.537 1.469 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1692545505 RUFJREICQINVGV-IRXDYDNUSA-N 414.466 1.313 30 10 HDEE Cc1nc(CCn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1693370386 KEXXWVFFZIQBKI-LIRRHRJNSA-N 402.503 1.726 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1697682519 XYEWEGNVAZLEEL-ONDOHLBJSA-N 400.483 1.543 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCS(=O)(=O)C1 1698227178 AFGIQSSGDITWLM-VGWMRTNUSA-N 411.528 1.175 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CC2(O)CC2)c1 1705507185 UMZKNUOUVHETOF-QGZVFWFLSA-N 409.490 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1705601846 BOGGOHVBRLDYRM-LEWJYISDSA-N 424.501 1.869 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=C)c1ccccc1 1705629116 XOYAEVGBGUNNER-LJQANCHMSA-N 414.531 1.980 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(F)c2)CC1 1705637777 LEABJRYDBYZIIJ-UHFFFAOYSA-N 407.453 1.686 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1705785952 BXYGAJRAGJHULS-ZNMIVQPWSA-N 424.571 1.205 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccccc2CO)CC1 1705887041 KAJUJCJNCCEWFW-HNNXBMFYSA-N 419.551 1.951 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705943707 ITUIDBQETQWOQA-KRWDZBQOSA-N 416.551 1.909 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1711173041 PWNGEZJWHJCQTE-VLGSPTGOSA-N 417.420 1.958 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)n1 1712343470 IFAPQTITXFWRHZ-OAHLLOKOSA-N 424.509 1.975 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)COC1 1712560998 FVUPWJNRAZBQIL-RDJZCZTQSA-N 404.515 1.215 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1722290753 ZJBLNJUNBOUFLU-HNNXBMFYSA-N 413.507 1.138 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)N1CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722364145 JFVFYAARWUCSML-VQIMIIECSA-N 413.547 1.664 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1722371267 IHUGSHDXLSWOPL-KBRIMQKVSA-N 402.524 1.347 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C(C)C)C(C)C 1722384861 YWEFZMAIYUIXNU-IBGZPJMESA-N 419.595 1.762 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCCN1CCC[C@@H]1CO 1722393359 ANBPHWRUCIXYAZ-LJQANCHMSA-N 407.522 1.435 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC1CCS(=O)(=O)CC1 1722425809 NHZCLGBOPSKBCX-UHFFFAOYSA-N 408.568 1.922 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nnc(CC)s2)CC1 1722436413 FXTFRRDPBSQZKZ-HNNXBMFYSA-N 401.540 1.390 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C(=O)NCC)CC1 1722437608 UTGGEQNZIRREQJ-QGZVFWFLSA-N 402.543 1.090 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCOc2ccccc21 1722446275 CKVSNVUTCCYGQK-WMZOPIPTSA-N 409.490 1.882 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722484185 PIDIUEWXUOFMLE-OLZOCXBDSA-N 405.300 1.907 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C)n3)n2CCCNS(C)(=O)=O)CC1 1722578355 IUOVQVMRNPPESO-UHFFFAOYSA-N 404.540 1.990 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCc2oncc2C1 1722700499 KVWUAIQGJMTRIZ-UHFFFAOYSA-N 408.462 1.730 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCN2CCSCC2)C1 1724014381 BFALCPOXRJJUOX-FQEVSTJZSA-N 417.583 1.579 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1729071179 XWZAMKPFKACIRX-QGZVFWFLSA-N 409.494 1.291 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC 1729707053 IFHCNCGJTZUSGE-ROUUACIJSA-N 412.494 1.441 30 10 HDEE COCCOC1(Cn2c(CC(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1730883391 JNXLMJHOICPWJC-QGZVFWFLSA-N 407.515 1.418 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCn2cc(Br)cn2)CCO1 1731188004 AUFKGEBWLZIOIB-CQSZACIVSA-N 406.288 1.934 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1740621662 YIXGKYLTRGOKCJ-QGZVFWFLSA-N 415.519 1.050 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(n1)CCCC2 1740678528 NRJDCTUMQCNVSI-UHFFFAOYSA-N 422.533 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@H](C)N1CCOCC1 1740682589 BCPYORUISRSOHV-SFHVURJKSA-N 413.522 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCC[C@@H]2C)CC1 1740705859 NHYBQOUHTLFTSU-SZMVWBNQSA-N 412.538 1.631 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740783809 WVHNHWBTWHIQIP-UHFFFAOYSA-N 424.571 1.227 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCCNS(C)(=O)=O)CC1 1740827052 HZSFNDPQZKKXJT-UHFFFAOYSA-N 419.551 1.973 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1740925944 SXTDVGMKHVGTHN-VQIMIIECSA-N 410.540 1.543 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740956792 QDWWMYRZZWVRMO-ZBFHGGJFSA-N 414.897 1.616 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1740962026 PNIGXAOZBRVOKI-ZFWWWQNUSA-N 424.427 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CCCNS(C)(=O)=O)C1 1740978433 UVQFJYFAGBTJJA-OAHLLOKOSA-N 423.514 1.805 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccnc(C)n2)CC1 1748710271 LPFCUQAITPMGNX-KRWDZBQOSA-N 408.510 1.458 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748812167 RGEPNVRIGMVUAP-QGZVFWFLSA-N 402.524 1.496 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCN1CCCO 1748848601 KTCHWRWENHXXTA-FQEVSTJZSA-N 409.509 1.928 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1748922488 BBLPYNJXSDWISN-GDLZYMKVSA-N 410.503 1.965 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)C 1749114353 APBLMHJWBNGIRJ-SJLPKXTDSA-N 418.542 1.456 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1749249418 FCBKWFKJNITSRZ-SFHVURJKSA-N 404.858 1.674 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(F)cc3)n2CCNS(C)(=O)=O)CC1 1749311431 MPLGNPUSCJPNAE-UHFFFAOYSA-N 409.487 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1749663534 JEUFEQINZBWLAK-DLBZAZTESA-N 411.510 1.680 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749719482 WFSIGZXDVUJNLV-YESZJQIVSA-N 410.540 1.878 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1749831117 WEQYDPULDHYFGO-SJORKVTESA-N 405.499 1.692 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CCO1 1750013908 IGJZPYUWLGHMPW-QUCCMNQESA-N 424.505 1.585 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750222738 HLBABMAPEOTROE-SFNQZPIRSA-N 410.503 1.929 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1751219013 LFSKHOHLFJGLIV-SCLBCKFNSA-N 420.495 1.018 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@]2(O)CCSC2)CC1 1760269718 CEODLJSZZIRVLW-HXUWFJFHSA-N 405.568 1.310 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760272661 RGVWSOMZZRQTNK-KRWDZBQOSA-N 420.583 1.037 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1760289234 NETDDZMWFMPZJA-CXAGYDPISA-N 408.553 1.694 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCOCC1 1760504608 VOTYIOCQROVUGW-UHFFFAOYSA-N 424.509 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccc(C)cc1 1760522975 INNGUGAUCQJKEQ-UHFFFAOYSA-N 409.494 1.804 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767043122 SDWYPMURDLOVRS-YLCNQMKUSA-N 414.388 1.307 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1768237846 FVZKUJMCJZZNLJ-UHFFFAOYSA-N 421.523 1.371 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1771535023 ARHLZUBMBNVQKL-GOSISDBHSA-N 421.548 1.220 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1771535518 PUMLTJXIYPUXRQ-SJORKVTESA-N 407.540 1.879 30 10 HDEE COc1ccc(-c2cc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)no2)cc1OC 1849872370 VVIIYOOUWAOIFQ-UHFFFAOYSA-N 420.429 1.981 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC3(CC2)N=C(c2ccc(OC)c(F)c2)NO3)CC1=O 1850570406 GOEGYDXOMOGPOI-HNNXBMFYSA-N 416.453 1.469 30 10 HDEE COc1ccc(S(=O)(=O)C2CN(C(=O)Cc3cc4c(cc3C#N)OCO4)C2)cc1 1852004989 VMGOTPUWBAOGEE-UHFFFAOYSA-N 414.439 1.523 30 10 HDEE C=CCN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCN(C)C1=O 1852744627 GYHWFSHALDCGNB-KRWDZBQOSA-N 401.467 1.206 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)c1 1853739242 OSBBTARBKPJJGS-QGZVFWFLSA-N 400.479 1.721 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)[C@H]4CCOC4)C3=O)CC2)n1 1854440239 WGORMOYKRPFRJW-HKUYNNGSSA-N 412.490 1.598 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854448190 GOPMRTAQYGKVCE-DLBZAZTESA-N 424.567 1.476 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(C)CCOc3ccccc3OC)C2=O)CC1=O 1854532470 LCSMSZUWOGEWGG-DLBZAZTESA-N 415.490 1.168 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc3c2-c2ccccc2C3)CCN1S(=O)(=O)CC#N 1854693690 GSRDKJGEYDXGNS-AWEZNQCLSA-N 409.467 1.784 30 10 HDEE CC(C)(C)c1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1 1856153127 WQZAKUUTNUIUIN-UHFFFAOYSA-N 421.519 1.666 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C)CCC#N)CC2=O)cc1 1856438574 DYCJFMDEZKVHFH-MRXNPFEDSA-N 420.535 1.694 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCCN(C4CCSCC4)CC3)C2=O)ccn1 1856480644 MVNWYFVMOMPTLR-IBGZPJMESA-N 413.547 1.598 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCN(CCC#N)C2(CCCCC2)C1=O 1856626017 LBEIKFCYNZUZDJ-UHFFFAOYSA-N 407.478 1.778 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCC[C@@H]3Cn3ccnn3)C2=O)c1 1856777254 ROTWXBIDHXMJKP-QAPCUYQASA-N 412.881 1.903 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3cccc(C)c3)C2)CC1=O 1856820321 XPZJJJFLJUOMSS-LJQANCHMSA-N 419.547 1.536 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCc3cc(S(=O)(=O)N4CCCC4)ccc32)ccn1 1856894073 BDEZQPJMVIDRPW-UHFFFAOYSA-N 410.455 1.857 30 10 HDEE Cc1ccc(OCC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)cc1 1856930238 XOUOLPIANGXMLU-UHFFFAOYSA-N 413.455 1.997 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)C[C@H]2CCCC2(C)C)C1=O 1857144237 PADKEYNUJBAEAF-CRAIPNDOSA-N 410.522 1.813 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857240573 QSOFFFXODUNVSK-HKUYNNGSSA-N 401.482 1.852 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CSc2ccccc2)C1)[C@H]1CCN(C)C1=O 1857274022 FYKXZQMRRIJKCQ-WMZOPIPTSA-N 401.532 1.873 30 10 HDEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870560690 HDLVBJMDFAZXIM-SFHVURJKSA-N 403.479 1.313 30 10 HDEE C#CCOc1cn(CCCCN(CC)CC)c(CN2CCC(C(N)=O)CC2)cc1=O 1870563584 HREDLXYXDSGVFJ-UHFFFAOYSA-N 416.566 1.680 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N(CC)CC)nc1C 1872678856 OCFZITSUMITLPZ-UHFFFAOYSA-N 423.451 1.677 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCC(N(C)C)CC3)ncnc2n1CCCOC 1873586805 MRLBVGZOLSIFKX-UHFFFAOYSA-N 400.527 1.914 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCOCCCC)ncnc21 1875228681 ZADZARAWJWFJIW-UHFFFAOYSA-N 419.526 1.663 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ccccc3)CC2)cc2c(NCCO)ncnc21 1875231667 YLTUFFOSKRTTFJ-UHFFFAOYSA-N 406.490 1.984 30 10 HDEE CCn1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c(=O)c2ccc(C)nc21 1891704016 IYTWWPGOWKVJCJ-UHFFFAOYSA-N 403.446 1.347 30 10 HDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1892069005 FDHRSWKYORCDJA-UHFFFAOYSA-N 403.420 1.736 30 10 HDEE C=C(Br)CS(=O)(=O)NCC1(COC)CN(C(=O)OC(C)(C)C)C1 1983982398 KTJADVXVXQTVQY-UHFFFAOYSA-N 413.334 1.698 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985097315 DLRRWKOONSLCLC-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE C#CCn1ncc(NC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)c(Br)c1=O 2043963216 PMIXVBLLGOBVCA-QWRGUYRKSA-N 409.284 1.916 30 10 HDEE Cn1ncc(C#N)c1S(=O)(=O)NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 2087920667 UXVZKQFNUHHAJS-UHFFFAOYSA-N 411.365 1.921 30 10 HDEE CO[C@H]1C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)N(C(=O)OC(C)(C)C)C1 2174785632 BCHWESWZIIQPRC-CABCVRRESA-N 402.517 1.081 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NC1(C(=O)O)CC(C(F)F)C1)C(F)(F)F 2180574954 PCJBSJMFCKOFPQ-SIVNTBKMSA-N 400.222 1.601 30 10 HDEE Cc1cc(CNC(=O)C(C)(C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2202311564 HIOBCIKKRIOHSO-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675264 UBCPBHWXDWVDCO-FQEVSTJZSA-N 408.304 1.763 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1NC(=O)OC(C)(C)C 2247907947 LDUONCDZMGUCFY-UONOGXRCSA-N 420.319 1.505 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247922976 QJOQFRBRKYXFFI-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)Cc1ccccc1 2247929143 JKHCKFKWONLZJN-OAHLLOKOSA-N 413.331 1.365 30 10 HDEE C[C@@H]1CSCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703634 YUCDWNXTAFRWNG-LLVKDONJSA-N 404.388 1.709 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC=CC(=O)O)cc2Cl)OC1(C)C 2269029207 LJXYXNMGERNDGL-UHFFFAOYSA-N 407.706 1.620 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281958308 FRNZFHBTXBWGRU-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE CC[C@]1(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CCNC1 2282328180 UEIBUIOIOYPKJY-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE C[C@H]1C[C@@H](O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332766 GMUDOIWPQRBOTM-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2282336453 DKJRFJUBBFYBFE-KCJUWKMLSA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CC(F)F)C3COC3)c2)OC1(C)C 2282347460 YMHLOZIKBLDTAO-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)CSC 2282353763 JIADBCXJKCMKBU-ZDUSSCGKSA-N 401.359 1.642 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3O)c2)OC1(C)C 2282414895 YWNYKOBUGABTHD-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282490939 JKLDQWQGAMFZFI-LBPRGKRZSA-N 401.721 1.855 30 10 HDEE C[C@@H]1C[C@]1(F)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494196 ZOSAFBISLPPRLH-BZNIZROVSA-N 404.338 1.952 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC(C)(C)C(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282497081 LKAWBZCCWFCPDS-UHFFFAOYSA-N 402.347 1.206 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N=[S@@](C)(=O)CCN)c1B1OC(C)(C)C(C)(C)O1 2282502596 NJUWIABWUUNOCU-VWLOTQADSA-N 422.403 1.409 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282539132 PNBQDYHZNRYXNC-NWDGAFQWSA-N 401.359 1.941 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282542527 FMNYEHPFJULOSJ-ZHZWEUQESA-N 403.741 1.212 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(CCCO)CCCO)sc2Cl)OC1(C)C 2282629375 UZJBKUUBPCDMBL-UHFFFAOYSA-N 403.737 1.908 30 10 HDEE CO[C@@]1(CO)CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282642253 KUHOUVHZCLDDGJ-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2cccnc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2282669059 OLJFCOOSTNWWSF-UHFFFAOYSA-N 400.284 1.750 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC[C@H]1N 2282826403 RCWOBAZENBFDCU-OLZOCXBDSA-N 400.375 1.904 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC(N)C3)c(Cl)c2)OC1(C)C 2282845701 XUWZIEJFODTWAQ-UHFFFAOYSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@@H](O)C2)OC1(C)C 2282866975 RGYGMDNLKZDOCN-ZIAGYGMSSA-N 401.359 1.770 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@](C)(CCO)C2)OC1(C)C 2282874831 GXYYVWWPNGFVMK-KRWDZBQOSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N=[S@@](C)(=O)CCN)OC1(C)C 2282875415 OKXLTIKPKKCPLI-VWLOTQADSA-N 422.765 1.384 30 10 HDEE CN([C@H]1CCCC[C@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876471 DMMQXSZETIEHJN-UONOGXRCSA-N 401.359 1.971 30 10 HDEE C[C@@H](F)[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284394470 YPJZJTOSHRMCEE-KOLCDFICSA-N 407.294 1.278 30 10 HDEE CC[C@@H]1C[C@]1(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406001 SIAZHXSBHXCXOI-QLJPJBMISA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CC[C@@H]2C(=O)O)OC1(C)C 2284412896 YLODXRQQJZBFGT-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE CN(Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)C1CC2(C1)OCCO2 2295335410 JYPNJLASRGAKLC-UHFFFAOYSA-N 423.340 1.653 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(C#N)nc1 2296377909 MKWIFWZQKYGMJF-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)C1)[C@H]2[C@@H]3C(=O)OCOC(C)=O 2297672749 SEQNRAWXEHHXPO-UYSPSVQUSA-N 416.470 1.670 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)CC1=O 2322122923 GTCZIKBMVWXONJ-LBPRGKRZSA-N 423.520 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C1 2365205167 SEWPAPXMUQDYSN-IFXJQAMLSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365205877 WDOMWDVTNOVDPL-DNVCBOLYSA-N 402.557 1.538 30 10 HDEE COC1([C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367791916 ZZQRHCFXFIYTHD-HUUCEWRRSA-N 400.541 1.747 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367792687 RETXDJHBIQVVKQ-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CN(CC[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)C(=O)OC(C)(C)C 2367794941 KAKSTJZFQHDRML-CQSZACIVSA-N 403.497 1.684 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2367813237 BEBYIPBYSKORNR-RBSFLKMASA-N 400.541 1.161 30 10 HDEE N#CCCN1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1 62040702 OAMVHLYWQPHYFD-UHFFFAOYSA-N 414.491 1.842 30 10 HDEE C#CCN(Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 111046669 HZLKDDJFWTYFAW-CYBMUJFWSA-N 412.512 1.452 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)CC1 111224077 MAXRVYMICCGSKY-ZDUSSCGKSA-N 418.972 1.714 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 254555801 KQNZITBDPAUWAA-LSDHHAIUSA-N 410.517 1.581 30 10 HDEE C=C[C@@H](C(=O)OC)n1cnc(I)c1I 308513664 DFUMFLIBVQBNLI-YFKPBYRVSA-N 417.972 1.992 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@]2(CNC(=O)C2)C1 433971234 WQNWYPBEIHMIRP-GOSISDBHSA-N 422.279 1.837 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCCOc3ncccc3F)C2=O)cc1 437826948 DVNSCAIWJUBCRW-INIZCTEOSA-N 411.393 1.493 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@@H]4CCCC[C@H]43)cc2C1=O 440700389 ZZROJRYLDPDYMB-IAGOWNOFSA-N 402.472 1.650 30 10 HDEE COC(=O)[C@H](c1cccnc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 446761054 MLRPPMMQPGOVKL-SFHVURJKSA-N 400.460 1.174 30 10 HDEE N#Cc1ccc(OCCNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)cc1 461140044 ABKKNKOVSVGMTP-UHFFFAOYSA-N 409.414 1.700 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)NCCOc2ccc(C#N)cc2)cc1F 461203194 RNZVKGHFLUAODX-UHFFFAOYSA-N 404.419 1.869 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)C(=O)Nc1cnn(-c2ncccc2C#N)c1 462083210 ZQFITHSHPLDABV-UHFFFAOYSA-N 415.413 1.899 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 462099406 FEURTQQVBLQCLJ-AWEZNQCLSA-N 414.433 1.543 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)s1 462583393 FCPXWUUELAYVGV-UHFFFAOYSA-N 406.489 1.702 30 10 HDEE CCOC1CC(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)(N2CCOCC2)C1 470213794 KRFYLGBXPKXUGZ-WJAMPBCPSA-N 409.527 1.634 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCS(=O)(=O)c1ccc(C#N)cc1 478434616 XIOARNVOOXERBW-ZDUSSCGKSA-N 405.501 1.431 30 10 HDEE CC(=O)N(C)c1cccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482498518 KISZEZBRQKOAGC-ZDUSSCGKSA-N 400.460 1.846 30 10 HDEE C=C(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 488894352 GCYCQPAPTWUEDE-OTWHNJEPSA-N 404.532 1.926 30 10 HDEE COC(=O)CNC(=O)c1ccc(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502562842 YUBDMPAZMOWCKE-FQEVSTJZSA-N 403.435 1.790 30 10 HDEE CCN(CC)C(=O)CN1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505746783 ANYMNPQQIMJGAP-NRFANRHFSA-N 408.543 1.651 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506003969 XSURPBIBBBXOGC-LJQANCHMSA-N 421.505 1.945 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 508444281 HAIDZTCNFMPZTL-PXNSSMCTSA-N 421.505 1.755 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c(F)c1 527247335 VOJOADUFHVXFGO-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc2C1=O 532119096 ZYYQKRVRDBKGGO-IAGOWNOFSA-N 404.488 1.896 30 10 HDEE COC(=O)[C@H](CNC(=O)c1cc(C#N)c(SC)nc1O)Oc1ccc(F)cc1 534106430 PSZKWCUDZMJNFZ-AWEZNQCLSA-N 405.407 1.870 30 10 HDEE COC(=O)[C@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccccc21 534659158 HTOWSLZFSHUAON-KRWDZBQOSA-N 423.473 1.670 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)n1 544866451 NZAOTZCMRXQBJS-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)o1 557839406 JZUPUAOLEZLZQS-JKSUJKDBSA-N 400.460 1.028 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 559070009 ITNVCLGCLZDVOK-UHFFFAOYSA-N 409.515 1.972 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3snc(O)c3Cl)CC2)cc1 568774873 RWNWYOPPVIVTTK-UHFFFAOYSA-N 412.880 1.520 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 569037748 UDPZFAFBMJGAAP-QGZVFWFLSA-N 405.524 1.824 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ccc(O)nc34)CC2)cc1 580250029 RYLJOIMTMMUXAM-UHFFFAOYSA-N 422.466 1.959 30 10 HDEE COC(=O)CNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 603977106 LAUMYDONUCYHPL-UHFFFAOYSA-N 421.862 1.844 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)CN(CC#C)C2CCCC2)CC1)C1CCCC1 747656840 KSLPCABAFXWRJK-UHFFFAOYSA-N 412.578 1.413 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C 748402268 JWLVJWWLAFOXMG-ZDUSSCGKSA-N 413.455 1.649 30 10 HDEE C#CCN1CCN(C(=O)CNc2cc(C(=O)N3CCCCCC3)ccc2OC)CC1 754307781 ROIUBRUKQHBPBY-UHFFFAOYSA-N 412.534 1.901 30 10 HDEE Cc1ccc(CCC(=O)NCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760401490 VQGCRFNEFBYEDC-UHFFFAOYSA-N 405.520 1.964 30 10 HDEE COC(C)(C)CC=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 765992838 PJWLNKFGMNCYKY-UHFFFAOYSA-N 400.457 1.829 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cncc3ccccc23)c1=O 772901814 SZJYWPPLGZRZNL-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1 782926973 QLAMXLVBLMMIAC-MRXNPFEDSA-N 400.483 1.158 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](O)CC(F)(F)C2)cc1 787402665 HHCXWESVCADBSI-SYPKWCCASA-N 416.450 1.733 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](O)Cc2cnn(C)c2)n1 787992434 KVPUZWCIBGNKCF-LBPRGKRZSA-N 405.509 1.076 30 10 HDEE C[C@@H](C(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1)n1cnc(C#N)n1 791121355 TWUCEJYRPIMXEI-YUNKPMOVSA-N 407.434 1.252 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2ncccc2O)cc1 791782192 IJXSQZHBWOXCIP-XLNRJJMWSA-N 403.464 1.922 30 10 HDEE COc1ccc(S(=O)(=O)Oc2cccnc2C#N)c(NS(=O)(=O)C(F)F)c1 795283700 RGXFXBVOBGDABM-UHFFFAOYSA-N 419.387 1.694 30 10 HDEE C[C@H](C(=O)OCC(=O)N(C)Cc1ccccc1Br)n1cnc(C#N)n1 798743893 MJXXWNKZMDULER-LLVKDONJSA-N 406.240 1.675 30 10 HDEE C#CCN(C(=O)NCCCNC(=O)/C=C/c1ccccc1)[C@H]1CCS(=O)(=O)C1 800760153 XNSYZTGAPFYJEA-BBVFFXRHSA-N 403.504 1.038 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)ccn1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 803848583 FXXFWUQSGFBHHW-SECBINFHSA-N 406.320 1.671 30 10 HDEE C[C@H](NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N1CCCCC1 803921770 AYTYHFIOEHJASW-AWEZNQCLSA-N 401.438 1.789 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)cc1C#N 804082901 FZLIPUPKYSQINU-KRWDZBQOSA-N 422.485 1.834 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(c2ccc(C(F)(F)F)c(C#N)n2)CC1 804825551 XJRZAXZSBAAFAH-UHFFFAOYSA-N 405.398 1.919 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1 805114462 UKXYHOZIZDXVNJ-FUHWJXTLSA-N 408.524 1.933 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 805783196 UJUQEMGWBKYVLL-MOPGFXCFSA-N 407.536 1.409 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cccc(C(F)(F)F)n1 814418393 ALYOTKKAULEVEI-UHFFFAOYSA-N 412.393 1.498 30 10 HDEE COc1ccc(CNC(=O)[C@@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 917036240 JDFBFUHTIXIBCJ-SFHVURJKSA-N 404.426 1.510 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)c2)NC(=O)NC1=O 1116860107 DFNLEOYUXXMHAO-JTSKRJEESA-N 401.426 1.612 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCCc4c(O)ncnc43)C2=O)cc1 1132574019 YIZHTSCIHZEBNB-OAHLLOKOSA-N 406.402 1.238 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](OC)C[C@@H]3C(=O)OC)n[nH]2)c1C 1137830016 MDLHWZTUHIWARO-WMLDXEAASA-N 401.467 1.869 30 10 HDEE COC(=O)CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CCOCC1 1148114811 XFXJJCJDAWYIET-UHFFFAOYSA-N 412.439 1.307 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1sccc1S(=O)(=O)N1CCSCC1 1158986346 KFXPSIVNTRNNSQ-AWEZNQCLSA-N 414.574 1.788 30 10 HDEE CC(C)(C)OC(=O)NCCCc1ccc(OCC(=O)N[C@H]2CCN(O)C2=O)cc1 1159324462 IWHQJOPMDMGPJM-INIZCTEOSA-N 407.467 1.629 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NC[C@@H]2CCCN(CC#N)C2)n1 1182821824 BXIVKORTFZGRLQ-INIZCTEOSA-N 404.515 1.763 30 10 HDEE Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)c2C)c1 1189745626 JPLJMWPMYVNDSF-UHFFFAOYSA-N 420.469 1.781 30 10 HDEE C#C[C@@](C)(CC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1190518106 IRFTXDHEHFQSEM-KRWDZBQOSA-N 400.522 1.096 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 1204098963 ZLCDTFJWXIWKJU-UHFFFAOYSA-N 410.316 1.757 30 10 HDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCC(C#N)(C(=O)OC)CC3)ccc2O1 1211839488 DOPRVJLNTFNPTF-INIZCTEOSA-N 422.459 1.021 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CC1 1216738977 KOKISCFRDIKLFU-UHFFFAOYSA-N 414.491 1.497 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1 1221753101 PIDLXKXYVGJUOD-UHFFFAOYSA-N 408.502 1.989 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1227206691 HROZSBWLRMBCFD-PMACEKPBSA-N 400.523 1.612 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1251792251 NBXBQOYZXMWKSD-QZTJIDSGSA-N 403.479 1.649 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@H]1OC)c1ccc(Br)cc1 1252459374 RAEMKDKNUJRKJW-MELADBBJSA-N 401.282 1.235 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C2CC2)C1=O 1286306808 YJXITWYDNVSPNZ-IXAFZWLNSA-N 401.511 1.471 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1286372122 NUGMTPNQVCMYLH-IBGZPJMESA-N 410.522 1.482 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC(=O)N1CCOCC1 1286418185 BJTAVGFUYQZJOG-UHFFFAOYSA-N 407.474 1.275 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2noc(CC)n2)CC1 1286637922 PJFLTLJANDMAGR-CYBMUJFWSA-N 409.516 1.233 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286702548 SPXVQRNOPKJSPK-KRWDZBQOSA-N 404.540 1.941 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2CCOC[C@H]2C1 1286784318 DMZGDKUUJRKFTE-OAHLLOKOSA-N 416.913 1.422 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](F)COC)C1 1286799553 XGSNPYZCCNSMMU-GJZGRUSLSA-N 404.446 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286821993 XRWXNGDEQVQMKM-SJLPKXTDSA-N 419.551 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](C)C1 1286824058 URWLUSTZJVFAAI-INIZCTEOSA-N 424.596 1.682 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@H]2C1 1286835171 SBAMTPCHQLIFCJ-KRWDZBQOSA-N 404.584 1.994 30 10 HDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1289361615 IXILUZADQBNOAU-OYHNWAKOSA-N 417.506 1.988 30 10 HDEE COc1ccc([C@H](CNC(=O)CC2(C#N)CCOCC2)N2CCOCC2)cc1OC 1290547738 MXWRYSJNDFNFDF-SFHVURJKSA-N 417.506 1.904 30 10 HDEE C[C@@H]1CCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1291077328 ACPNNMRATJQFSW-FOIQADDNSA-N 415.519 1.603 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 1292419304 HIRMUSRUAMRAGI-SJORKVTESA-N 419.323 1.736 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(C)nn(CC(=O)OC)c1C 1295908273 RABUAFRRRWVJEA-INIZCTEOSA-N 406.483 1.596 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1298784378 OTPOEBRFWJUJAT-QGZVFWFLSA-N 420.477 1.585 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F 1299371942 GGCFVONTRVMTDG-GVDBMIGSSA-N 421.494 1.423 30 10 HDEE CSc1nc(O)cc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1299998955 QGOZPMPCHMQUNQ-UHFFFAOYSA-N 406.489 1.912 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@H]1OC 1300471388 ACBREJTYSAIUIC-HUUCEWRRSA-N 403.508 1.391 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCCn1cnnn1 1300591460 RHNOFRWCXVBJAU-UHFFFAOYSA-N 415.461 1.268 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1300631491 RDGFBFRIKFHRQT-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCC[C@@H]2C)CC1 1300730568 AWMGJEMPWRBIEJ-KRWDZBQOSA-N 402.543 1.265 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nc(CC)ns2)CC1 1300775869 BMZHYHMJKZFJRU-UHFFFAOYSA-N 421.596 1.922 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301249714 XMGMCAXKBSLWDQ-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1301492173 ZMKLRETVDXFGOL-OAQYLSRUSA-N 412.494 1.417 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCOC[C@H]2OC)C1 1301553715 RJPMUWPMDWOQOA-CGTJXYLNSA-N 402.499 1.511 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1301839052 JNWAPMKSEMJUGO-VQTJNVASSA-N 424.505 1.462 30 10 HDEE Cn1ncc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 1314930088 FDBHQGFOAKROGO-KRWDZBQOSA-N 419.493 1.280 30 10 HDEE CSC1(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316405627 FKXHWVNBQHGJNJ-CQSZACIVSA-N 401.496 1.376 30 10 HDEE C=CCO[C@@H]1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1320034944 RXHIDRFGOCOUSI-OAHLLOKOSA-N 410.496 1.312 30 10 HDEE C=C[C@H](COC)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 1320310113 GHCOYKMUYSIITF-UKRRQHHQSA-N 417.325 1.919 30 10 HDEE CC(=O)N1CCN(c2cccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)c2)CC1 1320506389 CHXNHRWAJLGOCD-QZQOTICOSA-N 411.462 1.210 30 10 HDEE N#Cc1c(NC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)nc2n1CCS2 1353068389 MUGRXPJAYIEQHA-UHFFFAOYSA-N 417.516 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1358890781 VQZWCVKCJSXQOH-YTQUADARSA-N 416.547 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1358899406 MNEUQJGQHVTWKI-BMGDILEWSA-N 413.526 1.866 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(Cl)cccc1OC 1358937632 BVEWINXWYYZXCS-GFCCVEGCSA-N 411.915 1.668 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358963372 GTTCCWPQUQXVDB-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCOC1 1358982889 NSGLTXYCTMWYKJ-HXUWFJFHSA-N 400.866 1.735 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1cn[nH]c1 1359025415 NKHDCDOFACGCJU-IBGZPJMESA-N 408.462 1.842 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359054124 KIZUBNNZIXKSBQ-UHFFFAOYSA-N 424.534 1.765 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359225662 GYSXQXZEHZALMI-HNNXBMFYSA-N 421.461 1.915 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1359281612 FSIHTSUIJASZGT-QGZVFWFLSA-N 405.524 1.457 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359308944 CULOAEIGACDYSF-QGZVFWFLSA-N 419.551 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1359331128 OEIIXIWFDCDABJ-SJORKVTESA-N 420.539 1.427 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)F 1359469151 YUEVDCPNWRJBFD-NSHDSACASA-N 407.381 1.830 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1359630867 HWMLPPKASDSGGG-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1[C@@H]1C[C@H]1CF 1360240094 AXNVDWVVYRUQMP-JKSUJKDBSA-N 412.473 1.540 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOC(C)(C)C 1360692927 BWGRODNHFHEAEL-RDTXWAMCSA-N 412.560 1.833 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O)C(=O)OCC 1438398490 AGRCXSFALRISDK-MRXNPFEDSA-N 419.865 1.249 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(C(C)C)c2Br)CC1 1443352320 CPOCABDKSFEZBZ-UHFFFAOYSA-N 410.316 1.124 30 10 HDEE Cc1cc(C(F)(F)F)n2nc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2n1 1443537113 PBLRJNORDXKUND-JQIJEIRASA-N 408.340 1.313 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@H](O)C2)c1 1447208766 SCBZHYBHZGMOFI-QBNCKDSPSA-N 412.446 1.139 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3CCN(CC(F)F)C3)C2=O)cc1 1451658059 VJQPEYDSJSZKQH-HIFRSBDPSA-N 405.405 1.219 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 1455603743 DLFZCPCQNOHTNB-VNQPRFMTSA-N 420.491 1.010 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)COc2cccc(Br)c2C#N)CC1 1464841859 BBNNGMXKCPGWLP-UHFFFAOYSA-N 423.311 1.368 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N[C@@H](C#N)C2CCCCC2)C1 1465505282 RIAFISYDJCDEIH-HOTGVXAUSA-N 413.540 1.999 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCOc3cc(Br)ccc3C2)C1=O 1470487779 ZRBHJYPSEPKDGE-UHFFFAOYSA-N 422.235 1.147 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 1471338395 YIHWDEIWJIGGCN-YADHBBJMSA-N 424.593 1.723 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1472224441 LOHPHKLOBBZMTF-UHFFFAOYSA-N 405.501 1.821 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC(N2CCCS2(=O)=O)CC1 1473546056 ARZMIQLRPLEEEI-INIZCTEOSA-N 422.526 1.961 30 10 HDEE CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC[C@@H]1C 1504510669 LZPVCCPLAFXIMA-JJRVBVJISA-N 419.507 1.554 30 10 HDEE CO[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1504519256 WNMQQFZJRBWZHL-MMHGPVSCSA-N 414.510 1.618 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@@H]4C3)n2CC(F)(F)F)cc1 1505319647 GAYIXTGHKJZFNR-ZDUSSCGKSA-N 422.367 1.932 30 10 HDEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1507603648 XOPREMVUJKVKDU-SFHVURJKSA-N 416.547 1.829 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1N(C)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507634972 RPWIZCPZKZUXNJ-DLBZAZTESA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCC(=O)N(C)C 1507644177 BMZPKYLASFBFKP-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(C)CN(C)C1=O 1507656260 UMYBQKXHULADLV-HSZRJFAPSA-N 421.501 1.807 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OCC)CCCC1 1507659999 KIZSPLHJAVIHDG-KRWDZBQOSA-N 421.567 1.701 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCOCC1 1507760393 ZWLZZVIRDUSOJI-LAUBAEHRSA-N 402.543 1.377 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(OC)CCOC1 1508041838 VGKOVINELFHWLH-HXUWFJFHSA-N 419.482 1.450 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1508071560 AGIBKUDBUVAURZ-SJORKVTESA-N 421.542 1.436 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1508091922 XDDASZQELYTJQI-IAGOWNOFSA-N 418.542 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(N2CCNC2=O)CC1 1508131817 QNJXVYUVXNOTSC-HNNXBMFYSA-N 424.571 1.386 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC[C@H]21 1508147706 LKNDDIKARWCOJI-TWMKSMIVSA-N 410.540 1.592 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@@H]3C2)n1Cc1ccc(C#N)o1 1509659938 VEVLNZDIQOEQEY-UONOGXRCSA-N 400.395 1.043 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1515096317 MMUHWTKAVANYNY-OAQYLSRUSA-N 410.478 1.339 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C(C)C 1517578296 YFBLHYGMZSYUJM-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE N#Cc1ccc(CC(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)cn1 1525173971 RVMJRCLQNOIBTI-GOSISDBHSA-N 410.449 1.469 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1537469284 NJQYRFPGKPUSDL-FGTMMUONSA-N 404.488 1.340 30 10 HDEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)NC1CCN(CC#N)CC1 1537522646 DJQDYORUNIGXPC-PXNSSMCTSA-N 400.523 1.633 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H](CC#N)C(F)(F)F)CC2)c1 1538123315 YPXOCTOENBVKBU-OAHLLOKOSA-N 418.441 1.408 30 10 HDEE CCc1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1538301487 ADUFALWGUHKSFD-HNNXBMFYSA-N 419.425 1.844 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1539030956 VGEJRWAVTZORCS-KRWDZBQOSA-N 419.551 1.823 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(=O)OC)CC1 1539172235 WJQKTUMJDKLPDB-UHFFFAOYSA-N 414.466 1.554 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539226283 WZCBIXXXBBSPGX-KRWDZBQOSA-N 417.535 1.052 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCOC1 1539399670 PDBBTCZYANXHOE-IBGZPJMESA-N 401.423 1.091 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(F)c1 1539415923 HVPKWWCVMISIPT-MRXNPFEDSA-N 406.483 1.454 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1539525664 AEHWXBZOZUQWRQ-MRXNPFEDSA-N 424.596 1.375 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539637220 OKPCGMVMYOEINT-GGPKGHCWSA-N 416.570 1.565 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540039995 LZAGOXARGGJCLU-DOTOQJQBSA-N 416.551 1.941 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1)C1CC1 1540095814 WPJQFFDNXAYIMU-LBPRGKRZSA-N 421.552 1.801 30 10 HDEE C[C@@H]1CCc2[nH]nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2C1 1540647552 AHHBMNHRSGNPRV-CQSZACIVSA-N 413.503 1.553 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540857403 UXSRORLNXZYZHJ-QGZVFWFLSA-N 414.485 1.885 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1540862690 GZLVJJNVJCIVIP-QZTJIDSGSA-N 404.559 1.642 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@H]1C 1540880728 OYCKIIJWIYFALV-NVXWUHKLSA-N 424.505 1.509 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1540913628 PQSHVWURGOVXFS-MRXNPFEDSA-N 405.572 1.755 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OC 1544352307 RETUKLIHGQNRJY-PBHICJAKSA-N 400.431 1.699 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccn(CC(F)(F)F)c1=O 1544572703 VPXTWUWUKXZGKS-GFCCVEGCSA-N 406.368 1.423 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1544797034 UONVCTIMANVUQE-MYDZZUQKSA-N 409.494 1.902 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1547245835 DJALJSNHSQOBAW-RBUKOAKNSA-N 408.478 1.288 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1555985038 GXSADBAUJGGYBP-CRAIPNDOSA-N 411.503 1.439 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(C3CC3)n2CC(=O)NCC(F)F)CC1 1555991191 QBCGDFUTDVGUIJ-UHFFFAOYSA-N 416.436 1.130 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2c(I)cnn2C)n1 1559804728 UZXSREVUJIRLSN-UHFFFAOYSA-N 413.263 1.503 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1 1562623394 GEDXIWDTZNDHBD-LSDHHAIUSA-N 404.492 1.849 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)C1 1564530731 HXLQBJWPDYVTQN-GARXJVFOSA-N 416.478 1.787 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc(O)c3c(n2)CCCC3)ccc1F 1583635755 KIHXTWJQGGMFKR-UHFFFAOYSA-N 406.439 1.917 30 10 HDEE COCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2ccccc2)s1 1585138995 PPERRBVQFZKGSF-LIRRHRJNSA-N 417.512 1.967 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)C1=O 1585446342 RKXHCDFBYHHVQR-AUSIDOKSSA-N 418.453 1.925 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1587136360 HGNNBGXMBCGYSY-CQSZACIVSA-N 405.455 1.116 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588059254 KNPPIKRVUNQFMT-INIZCTEOSA-N 405.524 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H](C)N1CCOCC1 1588159526 YCBMNFVAQIGCLK-FQEVSTJZSA-N 407.518 1.693 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588811330 GOMGHSKZLVCFES-IRXDYDNUSA-N 400.527 1.190 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H]1C(C)C 1589150799 LKAYYVSLEWZIBI-MIALQEHNSA-N 423.583 1.942 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1589404028 FZTGXMCLGXRJSV-LBPRGKRZSA-N 407.334 1.562 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1589530541 WMCXMQZNAQPSBZ-WMZOPIPTSA-N 423.583 1.997 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1594650942 DFBWPRXTOGHLFH-QGZVFWFLSA-N 404.515 1.938 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1594813091 OBZGLTZAENCCNM-MRXNPFEDSA-N 410.540 1.390 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1594866338 CGCOUEMNIYHHLL-NRFANRHFSA-N 407.559 1.788 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1595228811 JXBKGIBADSYOHJ-GOSISDBHSA-N 424.553 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1595812230 PVBQJYWAJJWUPP-SJORKVTESA-N 421.567 1.326 30 10 HDEE C=CCSCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1595894969 DNIQZZHRNKXGCD-GOSISDBHSA-N 415.563 1.934 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)COc1ccc(C#N)c(Br)c1 1597599572 WRXFMPGWKAFUHH-IUODEOHRSA-N 411.252 1.926 30 10 HDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc(C)c(Cl)c3)S[C@H]12 1614386312 XWXIBIPSFKQPFP-MBEZOWKRSA-N 413.927 1.214 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)CC1 1618034516 BPARUVASDOHKLP-UHFFFAOYSA-N 403.426 1.858 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](C(=O)C4CC4)C3)CC2=O)cc1Cl 1618752439 IOGWXITVTVEZFQ-WMLDXEAASA-N 401.850 1.771 30 10 HDEE COCc1nocc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1619676195 NSIXUDDAKKSWHS-CYBMUJFWSA-N 410.438 1.704 30 10 HDEE COCCOC1(Cn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1620035770 DFIICTWHZWSTIP-KRWDZBQOSA-N 405.499 1.172 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2Cl)C1 1620346422 AVOPWDGQKHPAKF-SCLBCKFNSA-N 419.848 1.799 30 10 HDEE C=CCC[C@@H](NC(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1624304460 WOIUAGALKQWPFQ-CQSZACIVSA-N 407.471 1.698 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1625421168 XYMCLJFSEXBPCN-HNNXBMFYSA-N 401.467 1.263 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)F 1628385633 CCJBMNIPJBDKNU-NIZNLAEJSA-N 402.398 1.178 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1628798913 HRHJQFYJYXWVRU-UHFFFAOYSA-N 423.535 1.030 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 1631129873 LXTAAIAQWJCMTR-GUYCJALGSA-N 422.434 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)NC3(C#N)CCOCC3)ccn2)CC1 1633820531 PUWDOQIZDWJUNR-UHFFFAOYSA-N 415.494 1.941 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C(F)(F)F 1633862777 YXZFBXDJERDKTA-NYFCXMLFSA-N 403.357 1.103 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1635284597 NWNGIUWUOACATB-GRDNDAEWSA-N 407.898 1.839 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@H](O)CC3(CCOCC3)C2)cc1 1636465150 DKDUUDQERZGGBG-QGZVFWFLSA-N 406.504 1.768 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1638015290 LJSQZOYOTXOUJX-GJZGRUSLSA-N 419.482 1.535 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)c1 1638532068 RKBMRMRQIOUSTR-MRXNPFEDSA-N 415.515 1.628 30 10 HDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 1645633120 XHPMQZCILDHIBF-NFICGAQRSA-N 418.400 1.269 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 1647924274 WBTBSPIBRVAOCQ-JKSUJKDBSA-N 410.515 1.722 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cnn(CCC#N)c2C)CC1 1648004795 JBVYGAWARYLJMY-NRFANRHFSA-N 422.533 1.610 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1649670985 LMMQMHVVDRMUSC-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](C(=O)OC)[C@@H]3CCOC3)n[nH]2)c1C 1653863665 CWVVNHKDKBQDMM-CABCVRRESA-N 401.467 1.632 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCC(c4ccc(S(N)(=O)=O)cc4)CC3)nc12 1654929384 UHRJQQJCUJQZDS-UHFFFAOYSA-N 412.475 1.334 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1656328799 QSOCJSXYZMAOJF-UHFFFAOYSA-N 424.542 1.526 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 1657819532 BDJQOXSKZHCMEF-MRXNPFEDSA-N 407.492 1.736 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C)C(=O)OC 1663617185 DBAJSPPYDNXYKI-DYVFJYSZSA-N 410.492 1.569 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1672547805 HXCVMAHSYIEVBD-PKOBYXMFSA-N 414.506 1.202 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C 1680685119 JUUFJTWMLIJKLR-OAHLLOKOSA-N 403.545 1.874 30 10 HDEE C=CC[C@H](CO)CNC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1682378176 TUYOZSWJDQGXGQ-FQEVSTJZSA-N 416.566 1.842 30 10 HDEE C[S@](=N)(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1682385243 TVPCOFRDIJFCJL-MUUNZHRXSA-N 404.540 1.441 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@]3(C)OCCc4ccccc43)CC2)c1C#N 1684856920 SEXXHAYVGXZSLR-QFIPXVFZSA-N 408.506 1.920 30 10 HDEE Cn1cc(CNC(=O)NCCCN2C(=O)NC(C)(C)C2=O)c(-c2ccc(C#N)cc2)n1 1686078360 BNHWUHLUFJURFX-UHFFFAOYSA-N 423.477 1.478 30 10 HDEE Cn1cc(CNC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)c(-c2ccc(C#N)cc2)n1 1686078648 IIXABFNLHMLOEL-SFHVURJKSA-N 408.462 1.989 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1689960070 XJRNETQIHKXUNN-OAHLLOKOSA-N 400.508 1.653 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689980037 KPNKBCHAZVWVBO-IAGOWNOFSA-N 424.567 1.819 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1690105159 VPCKASUVFPEWOY-IAGOWNOFSA-N 409.556 1.131 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](CC)OC)CC1 1690122368 OZNOXJGHHWMBNG-MRXNPFEDSA-N 421.505 1.774 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690137433 YRWLTLBBKDEAEM-KRWDZBQOSA-N 421.567 1.335 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690226638 GZYYMHSFBGAOAY-KRWDZBQOSA-N 423.315 1.879 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690364797 XRXMEYRZYFPHQQ-WBVHZDCISA-N 424.571 1.303 30 10 HDEE C=CCN(c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC)C1CC1 1690541056 LEEOKLPBOJDPIL-UHFFFAOYSA-N 400.508 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](COC(C)C)C1 1690667920 MPIADWGFJHWHOQ-QGZVFWFLSA-N 400.483 1.273 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690673709 AZHUBERKPREDSB-OAHLLOKOSA-N 404.540 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1690726618 GTXRULGVEWIEAS-GXTWGEPZSA-N 422.473 1.987 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(C)[C@@H](C)CC#N)CC1 1690869608 MUBWZDRRQLUADG-INIZCTEOSA-N 415.567 1.833 30 10 HDEE CC(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1692365336 HPDBCBGXHSFRSG-QGZVFWFLSA-N 409.494 1.989 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1692564341 CVHUEUJEOCSCBK-CQSZACIVSA-N 402.430 1.250 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccccn3)n1CCOCCCO)C2 1698485696 LNIOBPRTXYKKTN-UHFFFAOYSA-N 421.461 1.274 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1705556801 VFZVCPPXOLZSTL-UHFFFAOYSA-N 408.506 1.909 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564338 BSTLABUWLOPHRI-OLZOCXBDSA-N 406.430 1.361 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1705611592 JNMFMDHEAYXVQD-KRWDZBQOSA-N 415.519 1.282 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705638568 ORYBEJZBNRKHFP-UHFFFAOYSA-N 420.443 1.832 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705816579 LPDOFUHWWIWKKB-UHFFFAOYSA-N 412.542 1.389 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1705838561 TZKPGQYQKJDPEL-UHFFFAOYSA-N 409.498 1.265 30 10 HDEE C[C@]1(Cn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)COCCO1 1706961643 CTKPWZMSLMBFJX-FQEVSTJZSA-N 402.499 1.336 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1cccc(C(N)=O)c1 1709102618 ZOMSEYSNTQWKNO-UHFFFAOYSA-N 417.473 1.717 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1 1709464529 GLOGSXGFAOLHIE-SJLPKXTDSA-N 411.510 1.545 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1710202097 UHKROYSYTSCHOD-HZPDHXFCSA-N 411.510 1.946 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1710447856 JJESYOIYFDXRIS-NQIIRXRSSA-N 419.526 1.866 30 10 HDEE COCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712394764 JVBRNGJXEGDHBN-CVEARBPZSA-N 412.498 1.195 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@@H]1C 1712647863 MABRZIDNRRHEEV-GHHWKCCRSA-N 405.499 1.282 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722369112 YREBPUPDUHMMBZ-HNNXBMFYSA-N 422.580 1.506 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1722370472 LJQNVJXENPGMDV-UHFFFAOYSA-N 421.505 1.109 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722371275 ILJLNOOPMPKLHV-WMZOPIPTSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CC=C)CC1 1722431811 OGOKBVJYYSCQSA-MRXNPFEDSA-N 408.572 1.246 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCCCC)CC1 1722447837 QZSSMHNQBNCMOY-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C=CCCOCCn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1722622903 VMNMFFLHNDSECM-YLJYHZDGSA-N 404.559 1.558 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1722628992 FEQGFXMVDINQFY-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCC2)C1 1722719909 CAKCXSNXOPZUPL-KRWDZBQOSA-N 402.543 1.666 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1722732526 LXSPOVSHUXUCRG-AWEZNQCLSA-N 412.585 1.938 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCC[C@H](O)C1 1729033110 HSPDXUGFEHEARF-PBHICJAKSA-N 412.494 1.901 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1729641298 UOWHXWPFXPYPGR-LPHOPBHVSA-N 424.505 1.892 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCN1CCOCC1 1740565382 UENNMHFMYSTUEH-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1740751676 NKJUREBZHMBDHG-JJXSEGSLSA-N 413.544 1.095 30 10 HDEE C=C(Cl)Cn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740817340 YYOAMXRYHSBCRF-QFBILLFUSA-N 411.934 1.592 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(=O)(=O)CC 1740877265 ZMCFHAZJRFLHTE-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1740905984 BUDXKRCKQAAFPB-UHFFFAOYSA-N 409.556 1.929 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)[C@H]1CC 1740954163 DHKPEVVIVCYQGJ-OAHLLOKOSA-N 408.462 1.708 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1741001083 KRYMXYIWUVWNMR-TWOQFEAHSA-N 421.567 1.923 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1748822152 YYWBRUWQKFIEGK-GOSISDBHSA-N 417.535 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(F)(F)F 1748892497 PMRIVGBBYAPHGA-ZDUSSCGKSA-N 420.482 1.896 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1748931242 QXZKOKDFZVRATE-UHFFFAOYSA-N 412.519 1.577 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2oc(CC)nc2C)CC1 1748971091 CLJXABVFLYLYPK-UHFFFAOYSA-N 411.510 1.176 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1748979322 YIOQYBUSBWJGSL-UFYCRDLUSA-N 417.554 1.739 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccccc2C)CC1 1748987641 ZCQAEJZOAJVFQW-UHFFFAOYSA-N 405.506 1.821 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccccc3OC)n2CC2(O)CC2)CC1 1749000226 PTRLFNDZUJWVMR-UHFFFAOYSA-N 413.547 1.859 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749136605 PNHBIALSIIGWRV-NQIIRXRSSA-N 416.570 1.470 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749354696 XDIDXIOGXYWSJX-UONOGXRCSA-N 412.560 1.158 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(N)=O)cc1 1749599563 GXJKZRXYLWCTEK-MRXNPFEDSA-N 400.483 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1749657959 ICKMQDLMASOFOO-CJNGLKHVSA-N 411.445 1.017 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1749680735 PJHNOVYNFIHACE-UHFFFAOYSA-N 415.420 1.506 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C2CC2)C1 1749712975 ODCKIQOFWXAINC-WMZOPIPTSA-N 423.583 1.446 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCC(O)CC1 1750118291 PMFDWPFZVOLJFN-AOIWGVFYSA-N 420.558 1.445 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760148323 WIVDMRMFPYVYMO-UHFFFAOYSA-N 419.489 1.954 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760162514 VCLRAZWZSMIBJI-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(OC)CCOC1 1760170643 KNYPRQMVHGKSEH-IBGZPJMESA-N 418.523 1.113 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCSC1 1760250958 UBXYPOLZJZNTSK-NRFANRHFSA-N 416.547 1.832 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1760261883 ROJRAWSVJLLBAC-HXUWFJFHSA-N 416.614 1.859 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1760383515 SBODBGPCSOEYIY-HXUWFJFHSA-N 415.498 1.240 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1760449261 FNYHUGXOVZMAFX-DLBZAZTESA-N 412.494 1.875 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1760522513 VJDLZQGUIIHZSO-UHFFFAOYSA-N 422.537 1.762 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762436169 DLZQNEQMYBMMSZ-ATQAJOFPSA-N 424.509 1.512 30 10 HDEE Cc1cc(C)n(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)n1 1762473228 HRACXQPFELKGRR-RHSMWYFYSA-N 419.555 1.680 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](F)COC 1763221080 CKAYHYLXXRPPRP-DOTOQJQBSA-N 416.457 1.428 30 10 HDEE CCNC(=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(=O)NC)CCC1 1767191870 DSTHBOJXKSERIY-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1)[C@H]1CCOC1 1768575656 AEEGSMWKZUYDKO-UWJYYQICSA-N 413.478 1.759 30 10 HDEE COC(OC)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1769690068 PDZVHMFPLIEJEI-ZWKOTPCHSA-N 413.478 1.850 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)CC1 1772520284 SNPJBPJEMSDSFO-UHFFFAOYSA-N 419.334 1.331 30 10 HDEE C#CCCN1CCN(C(=O)COc2nn(C)c3ccc(Br)cc23)CC1 1848530531 BRZAOYWTTAMQRG-UHFFFAOYSA-N 405.296 1.882 30 10 HDEE N#CC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850004635 QCMHGJMCQINDQT-UHFFFAOYSA-N 402.879 1.109 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)Nc4c(C#N)cnn4C)cc3C2=O)cc1 1852270050 KWBZSCJMMQBQKO-UHFFFAOYSA-N 405.418 1.405 30 10 HDEE Cc1cc(N(C(=O)[C@@H]2CN3CCN2CC3)c2n[nH]c(N=CN(C)C)c2C#N)ccc1F 1852497506 OSHYUFGUCHZYIL-SFHVURJKSA-N 424.484 1.615 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1F 1852525486 YNMWGOQWWNBQJM-UHFFFAOYSA-N 401.463 1.858 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1852968806 MUNPGQKIDBZAPV-GOSISDBHSA-N 409.939 1.709 30 10 HDEE CN(CC(=O)N1CCCC1)C(=O)CCON=C(N)c1ccc(C(F)(F)F)cc1 1853574368 DTJHNGMWHQDPPI-UHFFFAOYSA-N 400.401 1.813 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccccc2F)C1=O 1853682559 MGJMDPGPYCSFRS-IAGOWNOFSA-N 403.454 1.441 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(CCN3CCOCC3=O)C3(CCCC3)C2=O)cc1 1854210264 NJCYBRIYPFCOLE-UHFFFAOYSA-N 410.474 1.014 30 10 HDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854418741 JXCYFDWUCVYMAU-CQSZACIVSA-N 423.466 1.430 30 10 HDEE COc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855097530 HJTQMEKCBHTPDQ-DLBZAZTESA-N 400.479 1.121 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cncn1 1855447833 MQXILIXPCIEKFT-KXBFYZLASA-N 408.462 1.382 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCOC2)CC1 1855593121 LCYPWRAEVADIRO-OAHLLOKOSA-N 404.488 1.870 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCCN(C(=O)[C@H]3COCCO3)C2=O)CC1 1855708053 RYQZETPMTOHASN-VQTJNVASSA-N 411.502 1.867 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2=O)CC1 1855961948 YLQKOBJKHNASLH-RBUKOAKNSA-N 411.506 1.552 30 10 HDEE CCCC[C@@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235282 FEVYNRQSIYWXRW-GOEBONIOSA-N 402.474 1.372 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc2N1CCCC#N 1856282056 OJMXEGCUBDSBNR-AWEZNQCLSA-N 404.492 1.340 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](N2CCC(CC#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1856539003 VGBOBJFTLDSXSC-KXBFYZLASA-N 411.506 1.825 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCN(CC(=O)c4cccs4)CC3)C2=O)c1 1856557771 BHOMJNYPPNSKRL-SFHVURJKSA-N 422.510 1.861 30 10 HDEE CCn1cc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c(C)n1 1857068764 NNOYHJCXSAXCEJ-GOSISDBHSA-N 407.478 1.041 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1857071906 WBENHPJAVPRDCW-AEFFLSMTSA-N 407.478 1.051 30 10 HDEE CC(C)(C)c1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1 1857492220 KYCOWPNWQBADCT-IBGZPJMESA-N 410.518 1.826 30 10 HDEE C=CCNC(=O)[C@@H](CCCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861497139 VDSNOIPQMYBOES-OAHLLOKOSA-N 421.494 1.419 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)CCCSC)n([C@@H]2CCS(=O)(=O)C2)n1 1870004713 IPQLPLUUCJCHFN-CQSZACIVSA-N 413.569 1.898 30 10 HDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N3CCC(N(C)C)CC3)ncnc21 1873562249 UMHQGWLSXSWTPH-UHFFFAOYSA-N 412.538 1.745 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1880980465 RVTWFQVWOCYAAN-ODXCJYRJSA-N 402.403 1.624 30 10 HDEE C#CCC[C@@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O 1984847301 VHSVVXVBZMGYGC-GOSISDBHSA-N 417.506 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C2(CO)CN(C(=O)OC(C)(C)C)C2)[C@@H](C#N)C1 1993304325 NGAXEZJMINROGU-AWEZNQCLSA-N 424.498 1.187 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010394948 GDGZXVXBZLBFPP-JSGCOSHPSA-N 418.303 1.970 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H]1CCCC(=NO)C1 2046025779 LYNKJUVUJHCNBU-SCLBCKFNSA-N 411.455 1.703 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@@](C)(C#N)C1 2051632796 MTFNKNSYFMHIMA-OALUTQOASA-N 407.467 1.966 30 10 HDEE C#CC[C@@H]1COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2057290206 JVORYDQRSDHVNP-OAHLLOKOSA-N 404.488 1.363 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C1 2118169362 XDTQHYRCCKKSRX-LBPRGKRZSA-N 401.510 1.924 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl 2118171209 UPWZOJDFZPPTPO-STQMWFEESA-N 401.872 1.782 30 10 HDEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1cccc(F)c1C#N 2174783023 XJGCBTUHUGBPTD-UHFFFAOYSA-N 401.460 1.907 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1C#N 2187586567 XOHIKPHAWNDCPW-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@H](CO)C1 2217454008 PTXIPZUMIAGTOY-INIZCTEOSA-N 419.331 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C(C)(C)O 2243675390 VZHUDJMOYQPYAR-HXUWFJFHSA-N 410.320 1.792 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2247803095 AZUPKUAJZGKTNY-QVKFZJNVSA-N 420.315 1.906 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)n1 2247825226 AMMSGUHFDIQNSX-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE CC1(C)OB(c2cnccc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2247842892 BIJXRQFURGLYLF-UHFFFAOYSA-N 409.295 1.927 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2247916495 YIJJSRSDSVAVNU-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[S@@](=O)CC3)s2)OC1(C)C 2267379383 RCYSJPHDJSOEDY-XMMPIXPASA-N 405.372 1.190 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269021584 USTHYUAGLQNPNQ-QMMMGPOBSA-N 409.722 1.794 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC3(CC2)OCCO3)n1 2282042149 AUNTYOUXKFHHPH-CQSZACIVSA-N 405.304 1.525 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC[C@@H](F)C1 2282312800 BMUWMPBFWPEALN-RYUDHWBXSA-N 404.338 1.334 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C[S@@](C)=O)C1 2282326036 MXUSHLRHRFTWDC-RUZDIDTESA-N 419.399 1.355 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2282341191 PADUOUNQGPOQMH-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341522 TYXUSVXPEPLRML-VDBVYFBLSA-N 402.347 1.120 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(CO)CCCC3)s2)OC1(C)C 2282424417 BPTYUCHKOWOPMZ-UHFFFAOYSA-N 401.359 1.878 30 10 HDEE CC1(C)[C@H](O)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282507712 LQCXYAOYKVXBOJ-CYBMUJFWSA-N 401.721 1.783 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCNC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282828004 HGJBTMDZGCYOPW-QWHCGFSZSA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(CO)CC1 2282829513 FVTXRBAVNSUZPP-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE COCCC(C)(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838987 XFQTVIIWTGOGGY-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1 2282867045 SJRYVAOOZZYZMX-CHWSQXEVSA-N 401.359 1.986 30 10 HDEE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282867353 XOXWBPSOUCDSON-OCCSQVGLSA-N 400.375 1.465 30 10 HDEE CC[C@@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCCN1 2282869217 ZHQJBGPHSDXZHJ-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CCN(C[C@H](C)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393504 LSJIGYKJNRTFQA-NSHDSACASA-N 403.331 1.779 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284400227 UDEMGXJTWIMMDP-SNVBAGLBSA-N 403.693 1.638 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@@H]2CF)OC1(C)C 2288925552 YUMUVCMKYOTEPR-VXGBXAGGSA-N 404.338 2.000 30 10 HDEE CCCOc1ccc(C=CC(=O)C(=O)NCCN2C(=O)CSC2=O)cc1OC 2325717235 WIPAPODDJYGLFE-UHFFFAOYSA-N 406.460 1.878 30 10 HDEE CCOc1ccc(C=CC(=O)N[C@@H]2CCN[C@H](C(=O)C=CC(=O)O)C2)cc1OC 2328179415 DFBDRNBANRVHHT-CVEARBPZSA-N 402.447 1.554 30 10 HDEE COCc1nnc(SCC(=O)OC)n1N=Cc1cc2c(cc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c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 33674729 RRADUWWRHZASSU-RUZDIDTESA-N 414.339 1.453 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)OCc3ccccc3)n[nH]2)cn1 59887002 RXIWCYDXMHPKNF-DJKKODMXSA-N 415.479 1.929 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N3CCC[C@@H](C)C3)n[nH]2)cn1 59887491 UARIFUJKUBBFQB-NACCWKTGSA-N 406.516 1.444 30 10 HDEE N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 302528494 CNLPIVXMWZMMOE-UHFFFAOYSA-N 418.497 1.842 30 10 HDEE N#Cc1nc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)ccc1C(F)(F)F 409732213 MFUJZKBCUXCAJK-GFCCVEGCSA-N 404.414 1.603 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCN1CCO 428538843 YHKIZRKJVFISCG-OAHLLOKOSA-N 413.478 1.548 30 10 HDEE N#CCCC[C@H](NC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)c1ccccc1 432976303 ZCHKBLSJNHOUCR-SFHVURJKSA-N 410.478 2.299 30 10 HDEE C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)NCCOc1ccc(C#N)cc1 443530017 NZCKMCHSXNDXAU-AWEZNQCLSA-N 402.476 1.987 30 10 HDEE COCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1=O 461625345 KADVGZSAKRBBSM-SFHVURJKSA-N 424.505 1.538 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C 463532246 MNHCUUNYFKTNSR-LLVKDONJSA-N 407.473 1.354 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)CC1 470280132 NJVRBHDXRQGAAN-NRFANRHFSA-N 415.582 1.772 30 10 HDEE CS(=O)(=O)NCc1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)o1 473453590 ZWQKZDLCZIOSSN-UHFFFAOYSA-N 403.460 1.884 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1c(F)cc(C#N)cc1F 479553227 DQBFDKAUBRSKCM-NSHDSACASA-N 404.398 1.913 30 10 HDEE Cc1nc(Cn2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)nn2)no1 486116909 NWYYFNZKOPCQQS-UHFFFAOYSA-N 406.450 1.306 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)N2CCOCC2)cc1C#N 489117892 RJQQWSVSROGWEI-IBGZPJMESA-N 404.467 1.753 30 10 HDEE CCN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)CC1 489266613 FKUZSNHBKFGZFM-UHFFFAOYSA-N 419.551 1.217 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCCCN3C(=O)COc4ccccc43)C2)nc1 489353628 CWMOBEMFFHNBCK-KRWDZBQOSA-N 421.457 1.932 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(F)cc2C1 514759588 CFACPWCVEPKKSC-KRWDZBQOSA-N 421.498 1.499 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 520782061 JWGFDSCQUVXGRL-SOLBZPMBSA-N 414.535 1.328 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C)cc1 523815448 GPPGOAMOIJNEEA-SIKLNZKXSA-N 419.485 1.830 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)NCCCC)cc2)CC1 524517327 AIIFLPSCPXYXRN-UHFFFAOYSA-N 415.538 1.346 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCC2CCS(=O)(=O)CC2)CC1 527352347 CMBYGIBGXGOKNU-UHFFFAOYSA-N 406.508 1.767 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccnc(N3CCCCC3)n2)CC1 542765606 MRJNSOYQVBOYEF-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 544804730 LFMOFEYUJKOJTM-LJQANCHMSA-N 419.489 1.684 30 10 HDEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4cccc(C(=O)O)c4)C3=O)CC2)n1 544871026 HMRXDMSXTIOZIO-KRWDZBQOSA-N 405.414 1.106 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCC[C@H]2CCCCO2)CC1 546190301 SBNCIGLPAQVCOZ-GOSISDBHSA-N 420.535 1.923 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 555305486 RFQINSXWQXSMRM-MRXNPFEDSA-N 422.441 1.301 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 558085547 UDQIOFGLTUHGHM-UHFFFAOYSA-N 406.486 1.964 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(F)(F)F 561052341 JVPCJQURNKXICR-CYBMUJFWSA-N 407.389 1.667 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 574305351 KHBCERVLFLVVEY-UONOGXRCSA-N 407.478 1.468 30 10 HDEE CN1CCN(C(C)(C)CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 615054226 GHIQETWJMXEKJF-UHFFFAOYSA-N 414.554 1.968 30 10 HDEE C=CCn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669816832 KBPJHCPICUMUMX-YLJYHZDGSA-N 411.554 1.849 30 10 HDEE C=CCOCCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 679496157 WDHVEHTZGMAQGK-UHFFFAOYSA-N 423.491 1.088 30 10 HDEE CC1(C)OB(c2cnc(CNC(=O)[C@H]3CCCCS3(=O)=O)s2)OC1(C)C 714697115 QSHGYNXSVMLKJY-LLVKDONJSA-N 400.331 1.026 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)[C@@H]1CCS(=O)(=O)C1 729332337 NCSYXWDKOQJTOP-OAHLLOKOSA-N 403.460 1.327 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 729332487 ZLVKCKVGODRQDE-SFHVURJKSA-N 403.504 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732457154 DVTJNKAPJHDEDD-WUKNDPDISA-N 421.498 1.459 30 10 HDEE Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732708071 LLZNQUCPZMQMPM-SFHVURJKSA-N 409.490 1.368 30 10 HDEE Cc1cc(C)n(-c2nnc(SCCS(=O)(=O)c3cccc(C#N)c3)n2N)n1 753968742 PJNFZIPVUJQWFL-UHFFFAOYSA-N 403.493 1.232 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 754379432 LNVKWCYCDTVFNI-QGZVFWFLSA-N 416.526 1.604 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)N2CCSCC2)c1)[C@@H]1CCS(=O)(=O)C1 774040301 RFDFAWGNMWDIFO-QGZVFWFLSA-N 421.544 1.530 30 10 HDEE COc1cc(OC)cc(S(=O)(=O)NC(=O)CCc2c(C)nc(O)c(C#N)c2C)c1 774421687 SQYHSGBNQXXTFJ-UHFFFAOYSA-N 419.459 1.731 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 775194063 WFOAEIGOYZEYLJ-UHFFFAOYSA-N 401.373 1.549 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cc1 780215191 QBOYNWIVPCFKDH-HXUWFJFHSA-N 422.441 1.511 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@@H]2CCOC2)C1=O 784124701 KPYBLWLJHHDQPM-DOMZBBRYSA-N 404.492 1.280 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)c1 784125818 TWEPAWCTFUZSKI-GOSISDBHSA-N 422.514 1.950 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)n1 790104885 YDYSICYLNYLWOA-GOSISDBHSA-N 403.527 1.569 30 10 HDEE COC(=O)N1CCN(c2ccncc2NS(=O)(=O)c2cnc(C)c(C#N)c2)CC1 794031715 BWSVUDWVVUJZRM-UHFFFAOYSA-N 416.463 1.346 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2cccnc2F)C1=O 794451477 WUBCNNDWGZGXDZ-ZDUSSCGKSA-N 403.439 1.892 30 10 HDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC2CC2)n(CCOC)c1=O 794582768 RXESHSDRLPHPDY-UHFFFAOYSA-N 415.490 1.039 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)CCO4)cc2C1=O 797246511 BKCXFJLTPNCYJV-UHFFFAOYSA-N 412.423 1.522 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)NCC2(CC#N)CC2)c1 797458366 GFVNMVBOQMDPNL-UHFFFAOYSA-N 407.311 1.825 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 798070891 WDBNIWKUZCMCQP-MSOLQXFVSA-N 417.531 1.509 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 799837066 OEKBVGONYOXGCF-HFECXHBLSA-N 405.520 1.966 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)c1 803848506 RRASDQZHVPCMGK-UHFFFAOYSA-N 406.442 1.389 30 10 HDEE N#Cc1ccc(NCCNC(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806413296 ZTZBWHHMPVXMGP-SJORKVTESA-N 420.473 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3cc(C#N)ccn3)C2)C(=O)C1 807277573 SYTODMUTPUNDSI-INIZCTEOSA-N 413.478 1.637 30 10 HDEE CC#CCS(=O)(=O)NC(=O)Cc1c(C)nn(-c2ccc(C(F)(F)F)cn2)c1C 810777554 FHFYBBDWGCBWRE-UHFFFAOYSA-N 414.409 1.915 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(C(=O)C(=O)Nc3ccccc3Oc3ncccc3C#N)C[C@H]21 815705893 GYPYDTPKAYSPCK-HALDLXJZSA-N 406.398 1.561 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3ccccc3F)n[nH]2)cn1 1084453893 QRGLTVHUJVOOPQ-UHFFFAOYSA-N 418.458 1.964 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1136232129 XNBGPPMQDNCVTR-UHFFFAOYSA-N 414.550 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 1141570672 PIOFAPBSIIAEHD-IERDGZPVSA-N 416.478 1.695 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1141833816 UELIHPSECONYIT-ZQFUTDIBSA-N 404.511 1.886 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cn2)s1 1151537300 IJUFMHVJQGTLSI-UHFFFAOYSA-N 420.516 1.915 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2nc(O)cc(C(=O)N(CC#N)CCOC)c2c1 1160822680 GNYFDNFDFGUUHP-UHFFFAOYSA-N 420.491 1.583 30 10 HDEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CCOCC1 1165727957 KFFBCJSVQQSAPL-QGZVFWFLSA-N 408.520 1.999 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cncc(-c3cc(F)ccc3OC)c2)CC1 1168910919 KTVKEMOKERPDGV-UHFFFAOYSA-N 418.494 1.482 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(CCS(=O)(=O)c2ccc(C#N)cn2)C2CC2)C1 1171640918 DYYHLJKHDWKVKI-UHFFFAOYSA-N 406.508 1.811 30 10 HDEE CN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1190411701 CIJRLQVFTSYXBN-LLVKDONJSA-N 408.293 1.419 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NC(=O)c3ccccc3)C2)CC1 1191192990 JFSCRSABWDMTDE-LEWJYISDSA-N 411.550 1.573 30 10 HDEE CC(C)C(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1251842599 KRTNOXBGQCHLOQ-KRWDZBQOSA-N 411.462 1.090 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1286438355 YBSZTFOZIGTAEO-QFBILLFUSA-N 410.540 1.357 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286446068 CVNFOEFNLMXXFJ-INIZCTEOSA-N 414.510 1.496 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1286450469 SELSQWZEWSVGKF-UHFFFAOYSA-N 400.527 1.651 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CC1 1286476581 ZHCXFWAJSSMITA-UHFFFAOYSA-N 417.517 1.631 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CC)C2)CC1 1286652349 WGHDIGWNTNAMJX-NVXWUHKLSA-N 410.588 1.633 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1286665174 VFESCWUYTHVJFV-INIZCTEOSA-N 407.540 1.238 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1286785876 SNZDPUHCMNAXHQ-CQSZACIVSA-N 415.498 1.679 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cccc(F)c2)CC1 1286792561 BRBDHBAFJGOIJC-UHFFFAOYSA-N 416.501 1.578 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCOC2)C1 1286799257 UNXPNHZYHSRVBK-JXFKEZNVSA-N 407.515 1.129 30 10 HDEE CC1CCN(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1291180632 ICFVOKICXUZYTH-ZWKOTPCHSA-N 415.542 1.470 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1291306110 RWZOSGSPWUXPGN-IERDGZPVSA-N 413.478 1.759 30 10 HDEE CSc1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c(O)n1 1291649666 KNCGMKXJUNAOIW-STZFKDTASA-N 421.504 1.969 30 10 HDEE C#CCN1CCCN(C(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CC1 1293713288 RWDVTMZLNLVGSU-UHFFFAOYSA-N 421.538 1.974 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)CC1 1296194125 BMQAUXXGSUXQND-UHFFFAOYSA-N 423.569 1.893 30 10 HDEE CN(CCC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298639441 GCNWZAQBPYXGBZ-IGGDJGDASA-N 414.510 1.935 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1299188117 MUMPKNIZQRWDJK-NSHDSACASA-N 424.828 1.888 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1ccc(OC)cc1 1300429839 DHYJRWQRDYXVJC-JKSUJKDBSA-N 419.551 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCO[C@@H]2CCOC2)CC1 1300722857 MNOJHQLONWTWJB-LJQANCHMSA-N 415.538 1.707 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301018083 UOQPBGJYVPNHPL-HABKJSAYSA-N 403.936 1.238 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCc2ccc(O)cc2C1 1301481759 PCSWVLPTRNRHAE-HNNXBMFYSA-N 415.494 1.573 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1301499122 YCMNAOVKOJMWDF-UHFFFAOYSA-N 409.469 1.795 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)OC)CC1 1301578916 KKYVCJDSDLGGJM-UHFFFAOYSA-N 407.496 1.263 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1302363978 KPKOPXCUZILFNI-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1302364025 SHUOATOHFJSSMW-GCJKJVERSA-N 408.506 1.962 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H]2CC[C@H](N(C)C)C[C@H]2C1 1305367543 FITMNRHSQZNXAN-DKIMLUQUSA-N 404.536 1.414 30 10 HDEE CC(=O)Nc1ccc2c(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc(=O)oc2c1 1308099323 FRFAWYPXLUVVIC-LIRRHRJNSA-N 401.444 1.122 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1311445039 UZXMNIVZWHSBDI-QGZVFWFLSA-N 405.520 1.403 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1312727914 DKWORSDIVNROKS-CVEARBPZSA-N 403.508 1.317 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 1313032553 JTTSBFQVSLNBLZ-KBAYOESNSA-N 408.510 1.713 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C2 1313190815 NVFLWSRWEWKEIQ-FGZHOGPDSA-N 418.497 1.795 30 10 HDEE CSCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1316460791 YLIUDCDNZGYONW-CQSZACIVSA-N 401.496 1.797 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1316528323 CNRZYUGDNFRXGY-KRWDZBQOSA-N 421.358 1.937 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCCS(=O)(=O)Cc1ccccc1 1318851804 DSOWTOZSWAIGDE-VHEBQXMUSA-N 405.476 1.024 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358929189 UCFVWAHSNWZWFH-SFHVURJKSA-N 416.526 1.507 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1358936058 BIZMBICFEQLWSS-QGZVFWFLSA-N 409.556 1.841 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ccn(C)n1 1358950129 XUVVMIVMWIRHOM-INIZCTEOSA-N 415.498 1.438 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)Nc1ccc(F)cc1 1358954519 KMEXJGFHSTVPQZ-KSSFIOAISA-N 401.442 1.849 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCSCC1)[C@H]1CCS(=O)(=O)C1 1358955892 VSGXLBSGFNLDGL-INIZCTEOSA-N 411.597 1.077 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962596 SJQDYOJHPZLREG-KRWDZBQOSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1nnnn1CC1CC1 1358980615 CRQHRLNDFFVTPA-UHFFFAOYSA-N 407.507 1.151 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359021928 HGAJEUREDOLIOS-KRWDZBQOSA-N 417.535 1.313 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359031411 ANKQCCDBWUUPAA-JTSKRJEESA-N 411.506 1.249 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)CC)CC1 1359031948 VODXOEDNEOXROA-UHFFFAOYSA-N 417.535 1.144 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1359060700 FSRPIXONVYRUHB-MRXNPFEDSA-N 424.530 1.762 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1359127281 MWEXHAHTEZSDFR-CRAIPNDOSA-N 415.560 1.486 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NCCC)CC1 1359178828 CRVZUAQDZXMCKI-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1359215223 XNODGPFZRDKGDZ-GOSISDBHSA-N 402.543 1.744 30 10 HDEE COCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cn1 1441629716 IIWVFXAZXCHEHN-FXBPSFAMSA-N 405.480 1.595 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)c1 1443780240 WFMLSTBULGVYAF-INIZCTEOSA-N 419.409 1.797 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1COc2cc(F)ccc2C1 1453635231 DWSLFPRDEXWBSD-MLGOLLRUSA-N 403.435 1.484 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc1 1454153118 PBWLCFVHUYNSMT-MUUNZHRXSA-N 401.448 1.934 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OCC 1454710335 IDYXSVUCYUBUTO-CYBMUJFWSA-N 420.853 1.716 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cnc1F 1457954711 VDYXGTWXUWBJJG-SNVBAGLBSA-N 405.231 1.996 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCO[C@@H](c2ccc(C#N)cc2)C1 1460859114 LXAHVERNLJAQTN-HDZGYNCQSA-N 401.488 1.911 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1cccc(F)c1)N(C)C)c1cc[nH]n1 1463762588 DNXWIGNVTDVASN-INIZCTEOSA-N 405.430 1.252 30 10 HDEE Cc1ccc(C(=O)NC2CCC(O)(C(F)(F)F)CC2)cc1S(=O)(=O)NCC#N 1465940713 GMQDTDFLVKQAEW-UHFFFAOYSA-N 419.425 1.763 30 10 HDEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)CCc2c(C)nn(CCC#N)c2C)O1 1472009793 IOSOGNFTXIEJHT-SXLOBPIMSA-N 404.511 1.768 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@H]2CO)c1 1472038083 CHVWYGVLFXHBQA-GOSISDBHSA-N 400.456 1.166 30 10 HDEE CO[C@@H]1CCOC[C@H]1NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1472076658 WZKLHKADCUJKDU-HZPDHXFCSA-N 409.508 1.206 30 10 HDEE N#Cc1cnnc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)c1 1472637372 BOTBRWCDVBLAOI-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](c3cnn(C)c3)C3(CCOCC3)C2)c1 1473489173 XXLPYRVBWGEFBS-HXUWFJFHSA-N 421.501 1.946 30 10 HDEE C#Cc1cccc(CNC(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)c1 1476289239 KZHJYSFICDGVTO-UHFFFAOYSA-N 419.441 1.483 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCc3cc(Cl)nnc3C2)C1 1478403970 ONRBKMHENNRDMD-OLZOCXBDSA-N 406.874 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1507533891 QFUXBJJWTUWLNF-HNNXBMFYSA-N 421.505 1.422 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1507664793 VLOIQTUWECJJEN-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)CCCO1 1507710137 KEBVFOCYVJEBTC-HXUWFJFHSA-N 401.467 1.661 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccco2)CC1 1507726116 FIQMMKRMPVMLSJ-UHFFFAOYSA-N 410.503 1.666 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2C[C@H](F)C2)CC1 1507738021 IAQWWHUYOFPIFG-JCNLHEQBSA-N 411.485 1.839 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC(F)F)CC1 1507738800 YZMYHRQGMVBNIJ-UHFFFAOYSA-N 421.452 1.274 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1507751995 TULYKJCQPRTLHU-MRXNPFEDSA-N 407.565 1.677 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1508041728 SENKGGAMQJGXDP-CQSZACIVSA-N 413.544 1.081 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CC=CCO1 1510191969 AJHUMDDOCHRWAH-HDMKZQKVSA-N 408.528 1.363 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1513924438 ZLGAKJYOAHTDAD-GOSISDBHSA-N 418.542 1.229 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1COCCO1 1517127597 IFLCHGFUKLJXID-LJQANCHMSA-N 424.505 1.828 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1517610641 XKXMTMQARRPSJB-MRXNPFEDSA-N 401.446 1.263 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCO1 1517658177 UUSFRUWUOHTFIJ-AVGNSLFASA-N 402.925 1.852 30 10 HDEE COC(=O)[C@H](CCC(=O)N[C@@](C)(C#N)CSC)NC(=O)OCc1ccccc1 1520694515 VXSADNUPKKMKPG-KXBFYZLASA-N 407.492 1.996 30 10 HDEE N#CC1(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CCSCC1 1525072876 VYDBIAOADNRACG-UHFFFAOYSA-N 403.533 1.437 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1527023563 JFMSFSZKHPRNRD-QZTJIDSGSA-N 404.463 1.990 30 10 HDEE C[C@]12COC[C@@]1(C)CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1531770768 RXPAMAMJMAFTAM-OYRHEFFESA-N 417.531 1.844 30 10 HDEE N#CC[C@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 1534105820 FOHNRAKSDNNLHI-KRWDZBQOSA-N 408.483 1.977 30 10 HDEE C=CCC1(C(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)CCOCC1 1536635455 LXTWMZYYTHONCW-UHFFFAOYSA-N 407.536 1.616 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1537946288 HXPHAGGEDJBMFF-GOSISDBHSA-N 403.504 1.333 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1539179681 QYNCZUFXHMKFRX-ZDUSSCGKSA-N 409.899 1.377 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1539220492 SVBFPKIUNAFCFO-QGZVFWFLSA-N 402.520 1.855 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539221542 POOLYBQUGKUAQO-JKSUJKDBSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539222909 YKLOFKGFZWBSFC-ROUUACIJSA-N 405.568 1.513 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N(CC)CC 1539259320 CJUCUSLSLKDXBK-ZWKOTPCHSA-N 408.506 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CC)CCOCC1 1539266886 UREGXJHQPXKSLL-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCc2nnc(C)s2)CC1 1539443958 CGPLTDWXXSYJSA-UHFFFAOYSA-N 408.535 1.888 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)[C@H](C)CC)CC1 1539459812 OPXRUBYEZIJGKK-XLIONFOSSA-N 413.570 1.956 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1540040226 PLGJGZSDFBQQKT-UHFFFAOYSA-N 419.551 1.870 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1540044634 XVPPACSQNSFRHJ-FQEVSTJZSA-N 416.913 1.962 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 1540602757 GGMDPDDFRPAUTD-CMDGGOBGSA-N 405.458 1.483 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(OCCOC)CC1 1540870646 RYTZBVPUCIYMEN-INIZCTEOSA-N 407.515 1.106 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC(C)C)C1CC1 1540871245 HKIAHMUIARTTHD-OAHLLOKOSA-N 409.556 1.497 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C1 1540896871 VMQZNOMLHOBXTN-QWHCGFSZSA-N 403.405 1.589 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3cncn3C2)c1 1541080886 OSPIFCAQLFRAPV-RJHYDAJSSA-N 401.492 1.897 30 10 HDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)C[C@H](C)C#N)n1CC1(O)CC1 1542053445 IPQBKZLNPUMUNE-CYBMUJFWSA-N 417.539 1.667 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCCCO)CC3)n[nH]2)c1C 1545666984 BSCPMFFVPDHQAT-UHFFFAOYSA-N 414.510 1.427 30 10 HDEE CCN(C)C(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1547320160 ICFUTYOGMGLXHL-KRWDZBQOSA-N 413.551 1.585 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1OC 1555024845 IFVVGQQUMBUOKV-IAGOWNOFSA-N 413.478 1.966 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1555985251 LMKJGMGTNWFNBR-SUMWQHHRSA-N 424.889 1.719 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCSCCCO)c1 1555986657 PRGFUUFCLSWVMP-MRXNPFEDSA-N 400.508 1.244 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCOC2)nnc1N1CCSCC1 1556023088 SKXVBOAFLCHIIW-DCOQFNDQSA-N 418.523 1.252 30 10 HDEE C=CCOC[C@@H](NC(=O)C1(c2cccc(Br)c2)CC(=O)C1)C(=O)OC 1556375450 JKFMMYYCGWUUSF-OAHLLOKOSA-N 410.264 1.910 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1)C(=O)OC 1556970678 DXFDPVGNGRMQDR-GOSISDBHSA-N 420.531 1.694 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 1558599504 DROLPDMFDUSIGX-UHFFFAOYSA-N 405.288 1.916 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=O)n1CCO 1559456574 FVRDDIXZPXGBMT-UHFFFAOYSA-N 416.522 1.676 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1Cc1cc(C#N)ccc1Br 1560058319 PCTCEVORPIFYPF-ZDUSSCGKSA-N 401.282 1.483 30 10 HDEE C[C@]1([C@H]2CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)COC(=O)N1 1560152800 HGKJFECIFSAZFS-HRAATJIYSA-N 408.462 1.893 30 10 HDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3c(C#N)cccc32)cc1 1561673447 COKCLYREJMHYGZ-UHFFFAOYSA-N 405.501 1.998 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1562081031 HQCXWPFAIUOHTG-MRXNPFEDSA-N 409.508 1.766 30 10 HDEE C=CCNC(=O)CNC(=O)NCc1c(Br)cncc1Br 1564798354 CFQFRUGGDUWCAS-UHFFFAOYSA-N 406.078 1.708 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Cn2cnc(C#N)n2)C1 1583209438 ICUFIHKSAOZAEK-PMPSAXMXSA-N 418.498 1.603 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1583958257 ZQYAGVRSBXNRPQ-CHWSQXEVSA-N 407.433 1.484 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCOC3=O)CC2)cc1 1585576591 FWQCLVUXDOPZOL-UHFFFAOYSA-N 405.476 1.821 30 10 HDEE COC(=O)[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1ccnn1C 1585890197 YRYSDELSSMXUNV-DZGCQCFKSA-N 407.471 1.728 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)CN(C(=O)OC(C)(C)C)C1 1587498636 QAXFUBHAVMCVMP-QKKBWIMNSA-N 420.510 1.636 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1587861021 FQIQIUSDFDOKMO-IRXDYDNUSA-N 421.567 1.336 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1587989103 HBIDFEUDEUOFMB-SFHVURJKSA-N 415.519 1.394 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1589482060 FMZSKOHEJAHUGQ-ZJPYXAASSA-N 403.527 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1589484125 RHTHVQPAORDIOM-FIKGOQFSSA-N 419.526 1.393 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593649753 BKAMADVQDGHFKC-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595797719 HYACVLJJKKNKLY-HZPDHXFCSA-N 412.556 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1595805252 MMQAELJMCUSXAH-FQEVSTJZSA-N 404.536 1.848 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCCn4nccc43)CC2)cc1 1596162952 GQDMUFQKVPLXPK-GOSISDBHSA-N 413.503 1.807 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccc(Cl)cc1F 1597001890 FXMFKAYEMWFOQG-LZQZEXGQSA-N 418.856 1.992 30 10 HDEE C#CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1597137992 IMFQQCHJMUSKQB-CQSZACIVSA-N 402.472 1.536 30 10 HDEE C#CCN(CC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1)C(=O)OC(C)(C)C 1610990564 PSAPMBSPALOQPI-NRFANRHFSA-N 414.462 1.228 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1611286030 BZEDMWIPOCPBQV-MRXNPFEDSA-N 419.493 1.881 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@H]2C)cs1 1612412402 OXIOUYRJEXVFDS-PBHICJAKSA-N 401.540 1.847 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1615842608 GWTDTDRDWWPUFL-UYAOXDASSA-N 424.553 1.019 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2cnc(I)c(O)c2)cc1 1618008596 XPUTZZYEZCIVMA-UHFFFAOYSA-N 413.171 1.441 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1620075897 RTEMVHHDWVSITN-IBGZPJMESA-N 412.494 1.001 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1620348154 MSAZYEUSONTQGZ-BXTJHSDWSA-N 419.432 1.978 30 10 HDEE C#CC1(NS(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CCCC1 1622494605 JIUUSCLCLMFOMC-GOSISDBHSA-N 406.504 1.889 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(Br)ccc1OCCOC 1622689073 AOHACJBVTIASQA-UHFFFAOYSA-N 406.298 1.745 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(-n2ncc(C(=O)OCC)c2C)cc1)C(=O)OC 1626205116 XAKSEEZVDMZIDS-SFHVURJKSA-N 415.446 1.831 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C(=O)OC 1626205154 XWCCHPXIOSBOBD-IRXDYDNUSA-N 420.462 1.169 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C1CCN(C)CC1 1626637507 LHYUSHCWXHESQF-SFHVURJKSA-N 409.486 1.631 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)COc2c(Cl)cc(Cl)cc2Cl)CC1 1626967014 ZESKHEUSRRADPK-UHFFFAOYSA-N 418.708 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C[C@H](C)C(=O)OC)C2CC2)s1 1627698981 XWFGUWIADTXEFN-LBPRGKRZSA-N 400.522 1.555 30 10 HDEE CN1CCCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1628269730 GONSDJFKLUWMDT-KRWDZBQOSA-N 417.941 1.708 30 10 HDEE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@H]1CCN(O)C1=O 1628370366 PREYVGYWBQLJEK-RYUDHWBXSA-N 415.233 1.305 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(-c3ccccc3)s2)CC1 1632961392 YTRUPELPPNBJED-UHFFFAOYSA-N 403.529 1.949 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1638074620 HVTACKUVCIEWLR-LJQANCHMSA-N 403.548 1.618 30 10 HDEE Cc1c(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 1638851560 XQSCSXYCJQMFPB-UHFFFAOYSA-N 405.458 1.563 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1642527017 CFBQKUNPSNRPKY-WOJBJXKFSA-N 405.458 1.932 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 1643612527 JLPKRGMFLITXHF-LJQANCHMSA-N 406.508 1.296 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1644128199 ZFAXNNOOQJUVAE-UONOGXRCSA-N 413.471 1.384 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1 1644298293 FWPDLLJMNAVESF-AWEZNQCLSA-N 405.442 1.907 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)C2)nc1 1645088544 XCJQWHYUQXQCAW-AWEZNQCLSA-N 419.894 1.971 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1646096888 ZPYGDVVQCSFTMU-SFHVURJKSA-N 423.498 1.581 30 10 HDEE C#CC(C)(C)N(C)CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1653278990 GVYZZVAOYGAQDT-UHFFFAOYSA-N 413.927 1.643 30 10 HDEE COc1ccc([C@H](CNS(=O)(=O)CC2(CC#N)CC2)N2CCOCC2)cc1OC 1653505039 AKJLXZCILUBXCY-KRWDZBQOSA-N 423.535 1.690 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H]2CC[C@H]1C2 1653760610 YCKJPUOWXFWYAL-VUCVNMQBSA-N 414.462 1.352 30 10 HDEE Cc1cc2cc(S(=O)(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)ccc2[nH]c1=O 1655495413 DMKSZZWFJGNOCF-INIZCTEOSA-N 410.455 1.945 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)CC1 1664900856 FEYXAICNFBVIQR-UHFFFAOYSA-N 402.499 1.853 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(=O)OCC 1665497268 PFMRRDWXMPIZPR-STQMWFEESA-N 410.920 1.701 30 10 HDEE CN(CCS(N)(=O)=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 1671278918 HPXOTEJUZFDYKN-UHFFFAOYSA-N 404.496 1.794 30 10 HDEE CN1C(=O)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2ccccc21 1671495315 QHSXHVWXLVLEJR-HOTGVXAUSA-N 413.478 1.934 30 10 HDEE Cc1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1681421642 ARGRFYYTHBTTPX-XJKSGUPXSA-N 412.309 1.837 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 1681590431 BMTRZTFRCNSZOI-QGZVFWFLSA-N 403.502 1.435 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1681943143 BMTCQYLXZYEDIB-IEBWSBKVSA-N 407.536 1.702 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)C2)nc1 1682525554 COOZVBGJGUFCSW-GFCCVEGCSA-N 406.386 1.093 30 10 HDEE CC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(OC)c1OC 1687377232 LHBWJIGGXUEOJP-RFUYNDQBSA-N 407.492 1.735 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1690077107 IRZWGRFAKQNOHN-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)CCC(C)C)CC1 1690109076 GDGWLLVIORXVOH-NRFANRHFSA-N 404.559 1.359 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1690204979 XMEFLJKUCCDJSS-KGVIQGDOSA-N 414.554 1.722 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1690206280 LSOUMBCNHMFEMZ-WIYYLYMNSA-N 414.531 1.713 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](Cn2cccn2)C1 1690664495 VOPNWSNPYJSKNT-INIZCTEOSA-N 411.466 1.251 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C)[C@H](OC)C1 1690678170 NJAQAGGPRDDUQI-CUSZFKRNSA-N 407.515 1.166 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N(C)C)C1 1690687763 IWVPRTCMBGVBBA-OXQOHEQNSA-N 407.515 1.188 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690713984 AVBXREVNKIBRJF-HUUCEWRRSA-N 407.540 1.207 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@]2(CCOC2)C1 1690718805 ALJIRHQBOHUBHJ-IBGZPJMESA-N 422.507 1.443 30 10 HDEE CC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694948964 PYATWGPQRHZBOW-AMGRQBIBSA-N 402.499 1.618 30 10 HDEE Cn1cnc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)n1 1696873338 ZHYRCFGKBHHVIG-UHFFFAOYSA-N 406.498 1.346 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1697834893 WVFKAKKMQJCBRL-NRFANRHFSA-N 421.461 1.701 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1698485771 CDPDSEGKDDRBDH-DNVCBOLYSA-N 418.498 1.531 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)NCc2ccccc2)CCO1 1698492533 CZWBFRUPGWGWLP-KRWDZBQOSA-N 418.461 1.170 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1705500013 DPFJXPYXPAGIMO-RTBURBONSA-N 415.586 1.132 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@](C)=O)CC1 1705584274 DMAIHZKQKCBAHH-LJAQVGFWSA-N 406.515 1.501 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](F)COC 1705605362 IOWZVPVLQDJBCA-OAHLLOKOSA-N 422.530 1.991 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1705611796 PNMPVUNSYGKWRD-QGZVFWFLSA-N 415.519 1.553 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1705613379 GKAALYVJQVXPPX-INIZCTEOSA-N 422.511 1.087 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCC2)CC1 1705631981 FMBRSIPZKWCJNK-UHFFFAOYSA-N 414.554 1.619 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)NC(C)C 1705662685 HJAXQTRHPVBSJX-UHFFFAOYSA-N 406.581 1.961 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCNC2=O)CC1 1705725786 QSLCFMVRKZAXBF-OAHLLOKOSA-N 422.555 1.140 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2C(C)C)CC1 1705768847 BMJTZYRLAZNATR-BBWFWOEESA-N 409.556 1.984 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCOC1 1705885229 LJFXSVCDKFGYBZ-RXVVDRJESA-N 416.478 1.581 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(N)=O)C1 1705899073 HOZFCGSKXKSNQQ-ZDUSSCGKSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705899354 QAMJLWGSLKMCSR-HXUWFJFHSA-N 415.519 1.262 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1710847781 RWSNSIWDZVIMOJ-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE CC[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1710916002 ODLXEYRWBMDOJS-CFJPQMKISA-N 409.462 1.644 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1712567365 UTSXSWIKOKSASK-MSOLQXFVSA-N 420.558 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1712639599 IHRWMGRQYZFTJM-DKICVRJWSA-N 422.505 1.749 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cnnn1 1722277470 MYQMYZKEBOTNJU-OAHLLOKOSA-N 402.466 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722292097 HJJYXDPRANFIJB-SJORKVTESA-N 418.505 1.861 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1722333541 XBVMZSTYMLYGJQ-UXHICEINSA-N 422.533 1.544 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCCN1CCC(O)CC1 1722382684 MZMVRNRECLGXFD-UHFFFAOYSA-N 412.563 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1cnnn1 1722395456 DUZUMJBFECQQPG-UHFFFAOYSA-N 413.489 1.977 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CCC)C1 1722397056 MFKRXWUGRARNTO-RTBURBONSA-N 417.579 1.375 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CCOCC2)CC1 1722436510 AKIDDNKLZRNIMA-KRWDZBQOSA-N 405.568 1.449 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722460782 ZBNUKNDBDLEGGP-ZWKOTPCHSA-N 405.568 1.843 30 10 HDEE C=C(Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722540766 HNEGQFKNSVJFQT-IBGZPJMESA-N 411.506 1.790 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C(N)=O)nc1 1722638428 ACSPWEXNVVSWDU-UHFFFAOYSA-N 416.445 1.758 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1722638688 JXGWTBPFAOPBFO-UHFFFAOYSA-N 408.462 1.970 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC)(CC)C1 1722691418 QCRAEWPFIKHGBS-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccc(OC)cc2)CC1 1740689095 ONHLVUQQLCBYNQ-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCCO)CC1 1740696622 ZAXFUYIOYVKLGY-HXUWFJFHSA-N 411.506 1.708 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740782224 HOQISQWVMAWZOD-CQSZACIVSA-N 416.569 1.160 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740962585 IAGCXKJKKCKWEF-UHFFFAOYSA-N 414.554 1.762 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nnn(C)n2)C1 1740985839 UOGXZQZMOBCFGV-SFHVURJKSA-N 424.509 1.827 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)N(C)C 1741863713 YBQRNOAHCUNLBZ-HHXXYDBFSA-N 423.521 1.394 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@@H]1C 1743142768 GCEAGPQZHDJABR-LSDHHAIUSA-N 402.524 1.991 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@H]1CCOC1 1747661021 QAPABFCKVCESGO-GUNSETOZSA-N 415.519 1.865 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1748228855 BAZPDSWDYGPZSK-UHFFFAOYSA-N 419.493 1.346 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C2CC2)C1=O 1748638160 JWUXSVHNHROPDR-SPLOXXLWSA-N 400.527 1.665 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1cccn1 1748664507 ICAVHIZTVNILGG-MRXNPFEDSA-N 416.489 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(Cl)cn1 1748825027 NUXBNRHASIHWMX-UHFFFAOYSA-N 400.870 1.617 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1sccc1C 1748863586 ALVWWLWFBRCSJQ-HNNXBMFYSA-N 405.549 1.769 30 10 HDEE CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1749166411 BDFIOOUKHBGUSO-FUHWJXTLSA-N 410.478 1.480 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1749352866 YSLPUUQAQRGRRJ-CVEARBPZSA-N 400.527 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CCOC(C)(C)C 1749734204 FSTOCXPNIFGWAD-HNNXBMFYSA-N 400.545 1.634 30 10 HDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)CN(C)C1=O 1749833973 MCAZJEIOHOZRRV-OAQYLSRUSA-N 412.494 1.394 30 10 HDEE COCCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750098094 XBPPIZRJOJSIAL-MJGOQNOKSA-N 418.542 1.402 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1751095400 CGMNUFHUOFWQNJ-DLBZAZTESA-N 408.572 1.795 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1751672427 BULPHOXCUMVYHE-IAGOWNOFSA-N 415.519 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1760112555 JAGIYKHXBWAZOL-WAOWUJCRSA-N 419.595 1.838 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H](C)C1 1760202088 SBAKKGFNGPYWEE-KRWDZBQOSA-N 408.506 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)C(C)C)CC1 1760268226 NYVPUFLCKDXKHS-JOCHJYFZSA-N 410.522 1.713 30 10 HDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](C(N)=O)C1 1760350991 YYFCPYCEKLTPQD-GFCCVEGCSA-N 423.315 1.940 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC2(C1)OCCO2 1760502764 KYENHMJJWMZJRS-INIZCTEOSA-N 402.499 1.861 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1760693845 MYRGHSKAWUYZLZ-DOTOQJQBSA-N 407.482 1.792 30 10 HDEE CCC(CC)[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)OC 1762154432 CEJBJACEEPTVBM-ROUUACIJSA-N 418.542 1.971 30 10 HDEE CCO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1765800430 AOZLKFDKDOQCIV-OKZBNKHCSA-N 410.478 1.736 30 10 HDEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)cn1 1768679460 DDMCGXQLGSOLPT-INIZCTEOSA-N 411.491 1.815 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1769303931 CEVBDVCBKCXWGP-OAQYLSRUSA-N 408.462 1.890 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1771535494 OWZRJNBMFCCKSH-LBPRGKRZSA-N 418.395 1.886 30 10 HDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)ON1C(=O)c3ccccc3C1=O)C2=O 1772792348 LLCKKMCFKWZQMA-LAJNKCICSA-N 413.430 1.878 30 10 HDEE Cc1ccccc1Oc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C#N)C2)cc1 1850779728 MWRDLWZBCSREPO-QGZVFWFLSA-N 415.471 1.817 30 10 HDEE Cn1cnc2c1CC[C@H](C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1)C2 1851216047 SNIOGGFDAKAYIM-ICSRJNTNSA-N 424.501 1.720 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccccc3-n3cncn3)CC2)nc1 1851772128 GIUIHRCBGREFOO-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE Cc1nn2c(NC(=O)C3CN(C(=O)COc4ccccc4F)C3)ccnc2c1C#N 1853314008 WFFDZQUFRQQTEK-UHFFFAOYSA-N 408.393 1.524 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(CC4CCOCC4)CC3)CC2=O)CC1=O 1853642081 UKNZJKHDOPLHNA-PMACEKPBSA-N 417.550 1.535 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCCN(C4COC4)CC3)C2=O)c1 1853732865 RWWPAJHNNNWRDE-LJQANCHMSA-N 416.909 1.554 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)C(=O)C12CCCC2 1854449366 KNQWEYLYPGQBKI-DLBZAZTESA-N 414.510 1.604 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCCN(C(=O)Cn3cncn3)C2=O)CC1 1854801258 BSEBJZIYOZXZFG-GOSISDBHSA-N 407.478 1.332 30 10 HDEE COc1c(F)c(F)cc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c1F 1855018503 CPADCWZVKVCGRW-GFCCVEGCSA-N 410.396 1.385 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCCO3)C2=O)CC1 1855592136 BNFKINKSUOFWHZ-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3csc(C4CC4)n3)[C@@H](C)C2=O)CC1=O 1855802672 FMAPIRLOBSQORF-DZGCQCFKSA-N 402.520 1.614 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(Cl)ccn1 1856004655 GQRDWADVLPOVRF-UHFFFAOYSA-N 418.862 1.999 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3ccc4nccnc4n3)C(=O)C2)cc1 1856349696 AOLSRUXMELLOIY-UHFFFAOYSA-N 402.414 1.260 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCCc3ccccc3)C(=O)O2)CC1 1856653627 ZAOJLBVLIVOCSU-GOSISDBHSA-N 419.503 1.922 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1=O 1856820160 VIYZDLJIGHMGDO-INIZCTEOSA-N 409.483 1.226 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857279129 DJXYVJZINDGYOB-SFHVURJKSA-N 403.504 1.386 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@@H]1CCN(C)C1=O 1857284383 NTGFQDQROFBMIE-FUHWJXTLSA-N 401.511 1.480 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCC[C@H](Oc4ncccn4)C3)C2=O)cc1 1857432442 FMEFKRZZNBDFSK-RBUKOAKNSA-N 405.458 1.562 30 10 HDEE CN1CCN(C[C@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCC1=O 1857507426 UZIUQILVDOLOJJ-MRXNPFEDSA-N 416.909 1.949 30 10 HDEE COC(=O)c1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873920171 AKAMKTVPZPGBTC-UHFFFAOYSA-N 400.460 1.657 30 10 HDEE Cc1cc(N2CCCCC2)nc(=NCCNS(=O)(=O)c2cccc(C#N)c2)[nH]1 1889582685 DHRDLLOVTLXYBP-UHFFFAOYSA-N 400.508 1.459 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1895876609 WPKFATSGCIPCHU-AHDPXTMNSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)COC1 1962852171 FJKCGHCWSIKRFR-UHFFFAOYSA-N 401.872 1.784 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@@H]4OCCN(Cc5ccccc5)[C@@H]4C3)nc2)OC1(C)C 2052552998 ARAOJDRYJCAIEM-UXHICEINSA-N 422.338 1.865 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@@H](O)[C@H](O)CCN1C(=O)OC(C)(C)C 2064131591 BXKBFHZHHDYYBN-RDBSUJKOSA-N 419.316 1.641 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2118162273 IFJRXNFKNSVLHC-UOXLDJKESA-N 400.482 1.407 30 10 HDEE N#Cc1cc(Br)cnc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118195134 SBFRUGPKANIDDI-SCZZXKLOSA-N 420.189 1.074 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N(CCO)C[C@@H]1CCCN1C(=O)OC(C)(C)C 2174784822 RXDIKFGEPVECMI-HOTGVXAUSA-N 403.545 1.806 30 10 HDEE CCC1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2182942020 CLGZRJJZDHDYHH-AWEZNQCLSA-N 401.529 1.857 30 10 HDEE Cc1cc(CNS(=O)(=O)NCC(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2202302040 WAGTVTHDJQKHKO-UHFFFAOYSA-N 414.280 1.842 30 10 HDEE CON(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2243405679 LAJPJYQBDQSOLE-UHFFFAOYSA-N 409.292 1.842 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COCC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243678108 FDAYCSBINMPHBD-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE Cn1nc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247823743 QUTJTVHXVCDYRV-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247919467 RKBMGSFGVDIJGH-TZMCWYRMSA-N 418.303 1.419 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2248032815 IHSOHMXPNDCDLN-OAHLLOKOSA-N 421.347 1.890 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)OC1(C)C 2255632539 OEVNAOOSZMMJTG-KRWDZBQOSA-N 421.310 1.559 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NOCC(F)(F)C(F)F)[C@H](O)C(F)(F)F 2265329839 HTNMJTUPXXWVBQ-WDSKDSINSA-N 402.263 1.751 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371033 UUYBJFZCAWGHPN-NEPJUHHUSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)Nc3nc(CN)cs3)c2)OC1(C)C 2267718767 XTALMOQGSRFVAD-UHFFFAOYSA-N 401.344 1.763 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720413 AZWJVYOKLLELED-NWDGAFQWSA-N 405.372 1.456 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(C(=O)O)C3)cc2Cl)OC1(C)C 2269027210 WSGXEDIXAHLIMQ-UHFFFAOYSA-N 407.706 1.406 30 10 HDEE CO[C@@H]1C[C@H](CN)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281946082 OHWNFJNJDAVREF-GHMZBOCLSA-N 400.737 1.889 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCCNS(C)(=O)=O 2281948282 TXRDVTIKBBSBIC-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE C[C@@H]1OCCO[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334053 WPZUHCRYMOQONS-RYUDHWBXSA-N 403.331 1.130 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282350478 NNYBKOGDQMJKRM-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC(C)[C@@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353235 UIXLDGOPVYTPOI-WFASDCNBSA-N 400.375 1.712 30 10 HDEE CN(Cc1cnns1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282489452 DJVZROCCNWVMSU-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282615471 YWHZAOQWULBBKU-NSHDSACASA-N 402.347 1.384 30 10 HDEE CO[C@H]1CNCC[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639472 ZZBNZKFBMILGEY-RYUDHWBXSA-N 400.737 1.807 30 10 HDEE CC[C@H]1NCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282831935 GWDWWGGULQPDSY-CHWSQXEVSA-N 400.375 1.775 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCc3cnsn3)c(Cl)c2)OC1(C)C 2282840286 MFLOJZWYRRVNOT-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCSC1 2282848799 RYOVQGOJNYQQAU-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE C=C(CO)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282866382 IJGUCSDRBNJTRS-UHFFFAOYSA-N 401.721 1.856 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(F)CCCNC2)OC1(C)C 2282869555 DVDFKHJHLWPYRX-INIZCTEOSA-N 404.338 1.417 30 10 HDEE CC(C)[C@@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284393159 HPEKMEKAHNVWNJ-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284395347 KHAZCDHZUKFKEC-LLVKDONJSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2cscc2CO[C@@H]2CCCN(S(C)(=O)=O)C2)OC1(C)C 2285600876 SFCKDESADGAOEZ-CQSZACIVSA-N 401.359 1.988 30 10 HDEE NC(=O)CSc1nnc(CCc2cccs2)n1N=Cc1ccc(O)c(O)c1 2329654298 IVXJRUFWRMPXLX-UHFFFAOYSA-N 403.489 1.996 30 10 HDEE C#CC[C@@](C)(CO)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338821892 UUCWGJQSOUTTNO-OAQYLSRUSA-N 420.531 1.784 30 10 HDEE Cn1nc(Br)c(Br)c1[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339662249 KKWMQKAKEUPOGX-ZETCQYMHSA-N 413.135 1.772 30 10 HDEE CCN[C@H](C#Cc1nccs1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363533336 JOBZQXFIHVBILC-CABCVRRESA-N 413.565 1.897 30 10 HDEE C=CCN1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1=O 2364257938 UIQGKABAKLWCDU-UHFFFAOYSA-N 406.078 1.416 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1Nc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364877009 JUTXVLZTXPATQU-QWHCGFSZSA-N 402.709 1.258 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2365208431 CFTJLQFABHKHEN-HRLGVUPISA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367792524 PHWXKFHODWIJDF-CVEARBPZSA-N 400.541 1.307 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367795778 GEDQZMIPXVXZOZ-KRWDZBQOSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367799182 YMBKMZVLRZNJPW-OAHLLOKOSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CCN1C(=O)OC(C)(C)C 2367800329 IUHPDTLCBXKCGB-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367808545 DJKJIZUBSHVVBO-ARFHVFGLSA-N 400.541 1.163 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@@H]1CNC(=O)OC(C)(C)C 2375783541 CEGLQNFZCFJDLK-HBUWYVDXSA-N 402.513 1.420 30 10 HDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(OCC)ccc21 13789661 IRRPGDPDEYTAKI-FMQUCBEESA-N 421.544 1.834 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 44361189 RROYRWPQQIVELG-ROHOOWMXSA-N 423.516 1.205 30 10 HDEE COc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1Br 45922540 XWXADIVUWQCLQQ-WOJGMQOQSA-N 401.330 1.588 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 47138969 JFQHFIADTWWYRY-UHFFFAOYSA-N 403.442 1.300 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(C)nn2-c2ccccc2F)CC1 52305488 HYZMGDGQXOPPCJ-UHFFFAOYSA-N 414.485 1.178 30 10 HDEE COC(=O)CSCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 110533842 KCEFIJWBCHWCKI-UHFFFAOYSA-N 419.482 1.810 30 10 HDEE C#CCn1ncc(NCc2nn(C)cc2Br)c(Br)c1=O 393370754 LYKHDPQCMHWIPY-UHFFFAOYSA-N 401.062 1.747 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409481745 BLFKRTKPBMRAOU-XOKHGSTOSA-N 416.906 1.673 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 410205138 GVTQSMROECCRCR-YOEHRIQHSA-N 423.514 1.247 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C(C)C)cc1NC(=O)C(=O)NCC1(CC#N)CC1 430324051 GPJVQIGCVAHFOW-UHFFFAOYSA-N 406.508 1.773 30 10 HDEE CN(C(=O)C(=O)N1CCc2ccc(C#N)cc21)[C@H]1CCN(c2ccccc2F)C1=O 433643596 VEHXXDXWUWZIBX-SFHVURJKSA-N 406.417 1.850 30 10 HDEE COc1ccccc1CCNC(=O)CNS(=O)(=O)Cc1ccc(C#N)cc1F 435651552 VBIBHUILCVBHKL-UHFFFAOYSA-N 405.451 1.484 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3cccs3)cc2C1=O 437347155 ZSHXPLBOXZVTEW-UHFFFAOYSA-N 419.484 1.238 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[C@@]34NC(=O)NC4=O)cc2)nc1 465371042 LMUOVPHXDZHHNZ-YCRPNKLZSA-N 405.414 1.854 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)c(F)c1 466347242 OTSRNSSHXMRUMY-UHFFFAOYSA-N 409.418 1.893 30 10 HDEE Cc1ncsc1-c1nc(CS(=O)(=O)CC(=O)Nc2cccc(C#N)c2)no1 471495846 JHAAPNPUYIYIPM-UHFFFAOYSA-N 403.445 1.927 30 10 HDEE CC[C@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@]2(CCOC2)O1 478365794 WOOWXGLULLKIDM-LPHOPBHVSA-N 407.492 1.207 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 483109414 WDSQWTJAYNNFAW-HUUCEWRRSA-N 424.486 1.683 30 10 HDEE CCCn1c(O)nnc1SCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 485256761 URVJXRXCSBRAEX-MRXNPFEDSA-N 400.508 1.895 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCc3c(cccc3NS(C)(=O)=O)C2)cc1C#N 489128920 MFVZKQDITYEBPK-UHFFFAOYSA-N 406.489 1.380 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1C 489893355 WWEIANVLZQICJL-UHFFFAOYSA-N 417.491 1.969 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2Br)CC1 492289261 DPNZSZDEPVYIEU-HNNXBMFYSA-N 424.339 1.971 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)C[C@@H](C)O1 507271195 VCXFCLZAHFCENV-IAGOWNOFSA-N 406.490 1.924 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1[N+](=O)[O-] 513665832 IHYHCMVSSSQEDY-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE COc1cc(CNC(=O)N2CCC(S(=O)(=O)N3CCCC3)CC2)ccc1C#N 515721970 CGEVGDYSVWKYCI-UHFFFAOYSA-N 406.508 1.666 30 10 HDEE CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544832837 GXGINJRAGCHLRZ-NRFANRHFSA-N 416.485 1.831 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546877430 SKXMVYWHVULEMY-QGZVFWFLSA-N 405.524 1.196 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3C(=O)COc4ccccc43)CC2)n1 546890190 IFTWGDCUVHCXGT-UHFFFAOYSA-N 420.473 1.601 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC)CC1 549043522 WNMVYMCWANNTTM-UHFFFAOYSA-N 420.464 1.991 30 10 HDEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 572804386 AFCUSQRQCNQLKF-GOSISDBHSA-N 400.504 1.126 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)c1 572859002 BMSRFEFMXPCFMX-FUHWJXTLSA-N 408.520 1.448 30 10 HDEE C=CCN(CC=C)C(=O)N1CCC[C@@H](NC(=O)CN2C(=O)c3ccccc3C2=O)C1 585967828 UGUMAGLLRFUFKB-MRXNPFEDSA-N 410.474 1.657 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)c2C#N)C1 586298033 CMQDYSURMOIRCD-MUDIAHQHSA-N 406.533 1.804 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cccc(OC)c3OC)N2N1 588225195 YQHPPSUXRXZAQD-IBGZPJMESA-N 408.483 1.766 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H]1CCN(Cc2ccccc2)C1 589452919 NBFLEYGHTQVLLD-LJQANCHMSA-N 412.515 1.569 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N[C@H](C)CC)cc2)CC1 605410257 BVADMJUCCVTFOC-MRXNPFEDSA-N 401.511 1.667 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC[C@H]3C(F)(F)F)C2=O)cc1 610047414 FBZXUKCNDIIJEW-KBPBESRZSA-N 410.352 1.553 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2cccc(C#N)n2)CC1 612830653 MGUSMBAKFZPTPY-SFHVURJKSA-N 405.506 1.208 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)NCC(C)C)cc2C1=O 623391615 HIPARRQBMPQOHI-INIZCTEOSA-N 401.488 1.756 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@@H]1CCCO1 679755399 RPSPSZQGDVFOAT-KRWDZBQOSA-N 409.511 1.746 30 10 HDEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C#CCCO)c1 703968694 GMCWTDGZCKSJGY-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCCSC 727416491 RZAISMIXLGRRDX-UHFFFAOYSA-N 405.545 1.675 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)cc1 727951138 QRZCAQPYJJCWPL-ZDUSSCGKSA-N 419.381 1.668 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COc1cccc(N2CCCC2=O)c1 734293229 PCMGKQIVWOOVEF-UHFFFAOYSA-N 413.455 1.877 30 10 HDEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 734602542 PLEBZYPZANETGM-GFCCVEGCSA-N 402.432 1.388 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 747337042 MJSFZCIMAVSMON-UHFFFAOYSA-N 422.510 1.869 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccc(S(C)(=O)=O)cc1 753389141 BSRZMKPSHIKBQW-CYBMUJFWSA-N 406.485 1.711 30 10 HDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)NCCNc1ccc(C#N)cn1 761254763 RVNVYIURGTXSBE-UHFFFAOYSA-N 415.475 1.701 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCN1C1CC1 764505721 APVHAJICAWDGFL-YOEHRIQHSA-N 405.861 1.966 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)oc2C)c(=O)n1C[C@H]1CCCO1 767953602 UCEKCSHJMRDBKX-MRXNPFEDSA-N 415.515 1.328 30 10 HDEE CSCC[C@H](C(=O)OC1CCN(CC#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 770776992 SUEPEVJTTCYQFW-IXDOHACOSA-N 407.536 1.814 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(Cc2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 774245726 DMLOVGLXTQUSIO-GDBMZVCRSA-N 402.476 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@H](C(=O)O)C1 776691702 WPUOIILKEXATHF-ZDUSSCGKSA-N 401.485 1.406 30 10 HDEE Cc1c(Cl)cccc1NC(=O)CNC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780210736 SXJCKEHLBXYRGX-LJQANCHMSA-N 415.833 1.852 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cc1 780892087 CIXQFAXALLOKQO-KNQAVFIVSA-N 423.469 1.582 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780951526 YWQVPDABAIHICP-GOSISDBHSA-N 403.460 1.879 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1C#N 785399836 RJISVRUAIMDUCQ-CQSZACIVSA-N 404.430 1.641 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1C#N 785599744 GBTTZQAOEWOQMP-IBGZPJMESA-N 421.432 1.961 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnn3cc(Br)cnc23)n1 790104577 RIZZZSLAYLZCRB-UHFFFAOYSA-N 417.267 1.610 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCCN3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 797263497 RCDITZKCQDKTTK-UHFFFAOYSA-N 421.494 1.382 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@@H](C)C1 806224970 BVVOYQLUDITNHS-QFBILLFUSA-N 416.522 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CC3(C#N)CCC3)C2)CC1 809845155 FFNFNEIEJJGBEH-MRXNPFEDSA-N 412.556 1.637 30 10 HDEE C[C@@H](OC(=O)CC1(C#N)CC1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 815412280 XAMHDNKNUYTUBO-CQSZACIVSA-N 421.475 1.272 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cc1 916178634 GXLAKTDWHVOSFD-YQQAZPJKSA-N 422.532 1.230 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(CCc1ccccn1)Cc1cccnc1 1116884059 ADLJOIWTFONBLE-QZQOTICOSA-N 420.473 1.757 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)c1 1125187610 QXFMZSHWXMNNQK-ROUUACIJSA-N 415.490 1.995 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3nn(C)cc3C#N)cc2)C[C@@H](C)O1 1126708199 AIEVPCDCOAOMCB-BETUJISGSA-N 403.464 1.342 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H](C#N)CCc2ccccc2)CC1 1136342139 GAEHVMSJQBBVML-GOSISDBHSA-N 414.506 1.954 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1146477461 GMCQBCDICIICOM-SUMWQHHRSA-N 421.519 1.942 30 10 HDEE C#C[C@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C1CCOCC1 1148193475 BHZFINLXDGRKLE-FDDCHVKYSA-N 409.486 1.920 30 10 HDEE N#C[C@@]12CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1156669441 CBGAJLMVRZCBIJ-PJODQICGSA-N 403.287 1.814 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H]3CC[C@H]3OC)nnc12 1161907204 AQBXIPFMNGJWRD-HZPDHXFCSA-N 413.503 1.958 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(CO)CCc2ccccc21 1164472808 QKIHQIGCTXEXHE-BTYIYWSLSA-N 413.499 1.218 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@@H](F)C(N)=O)CC3)ccc2c1=O 1169537884 CHSCDLLHHFXFSA-OAHLLOKOSA-N 404.467 1.547 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(C#N)cs2)[C@@H]2CS(=O)(=O)C[C@@H]21 1179733276 FDWKJRDUHFFIQU-OLZOCXBDSA-N 411.505 1.478 30 10 HDEE C#CC1(O)CN(S(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2OC)C1 1195705726 DSIKVNABLBDTSW-UHFFFAOYSA-N 405.226 1.043 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 1198666841 FESGTXCYBDGMHZ-GOSISDBHSA-N 408.543 1.295 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1 1213680096 LWKIAAOMPGDTRJ-LLVKDONJSA-N 402.270 1.733 30 10 HDEE CN1CCOC[C@@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1254222253 KARWWERKFUVMCM-SFHVURJKSA-N 409.494 1.111 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CC1CCCC1 1282692620 YXNDURJPGGKACN-GFEQUFNTSA-N 403.523 1.522 30 10 HDEE C=CC(C)(C)C(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1284338635 HDCWRCNAWMAUTG-RFSXOUPVSA-N 403.523 1.093 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN(C)S(=O)(=O)CC 1286299331 COKRWVIVZSIQHR-MRXNPFEDSA-N 404.540 1.393 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286348945 BVIFEMVAMRSFNT-IBGZPJMESA-N 415.538 1.661 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1286348977 RELQSMOWOHKBFV-UHFFFAOYSA-N 409.556 1.446 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286364004 WNSBTAPRNZVQLI-QHCPKHFHSA-N 423.517 1.722 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(N)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1286395756 UNENBAPMVKKGBS-MRXNPFEDSA-N 416.507 1.006 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1NC(=O)CC1(C)C 1286404340 QIMCRMJSSGQAGA-IBGZPJMESA-N 421.501 1.950 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCNC(=O)OC(C)(C)C 1286459803 UINYYMJRRCMQEB-UHFFFAOYSA-N 400.483 1.951 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccnc2OCC(F)(F)F)CC1 1286478689 JQHLNTQSZBAOSQ-UHFFFAOYSA-N 408.428 1.980 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CC2)CC1 1286664586 YUQSTJOHEDOCLJ-PVPMGCCUSA-N 412.581 1.494 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@@H]2C1 1286835173 SBAMTPCHQLIFCJ-QGZVFWFLSA-N 404.584 1.994 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1288996002 MNGBAYLWGCXMLX-KGLIPLIRSA-N 415.885 1.637 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CCO[C@](C)(C#N)C1 1289340911 OFEBMVQSPSPZRA-OAHLLOKOSA-N 401.282 1.916 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@@H]1CNC(=O)c1cccc(C#N)c1Br 1295048130 PQKHCRZEKZGGEY-DGCLKSJQSA-N 400.298 1.768 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCCCO2)CCOC1 1296663430 IFFBIZOSVWCAEP-FUHIMQAGSA-N 405.499 1.618 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)C[C@H]1O 1299412385 LEDJJBQXNPOYBA-KZNAEPCWSA-N 411.462 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1300284690 VJEAWSKEWKBFEL-HOCLYGCPSA-N 423.514 1.638 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300466964 BVSYUMIVXVGHOY-QGZVFWFLSA-N 406.465 1.817 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1300601334 GDLOZOXLYQUHFE-GMBSWORKSA-N 409.556 1.553 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1300731954 JEXQAOVFPBZMDD-MRXNPFEDSA-N 421.567 1.557 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(C)nn(C)c1C 1301426264 QPKLQVKPJMNYOQ-UHFFFAOYSA-N 401.515 1.438 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1301497476 XUOYKOHZTJZLMK-UHFFFAOYSA-N 407.482 1.155 30 10 HDEE CC(C)N(CCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(C)C 1303292250 BASUUDUSVXVOKR-GOSISDBHSA-N 417.558 1.638 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1304444021 ZVMCDRGGTFCQDR-QZTJIDSGSA-N 410.478 1.597 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ncc3Br)CC2)cn1 1306891400 CMMNJPUINSOSQY-UHFFFAOYSA-N 417.223 1.981 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)c3[N+](=O)[O-])CC2)cc1 1306918592 DKVPBNRXBQMINM-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CS[C@H](CC(=O)OCC)C(=O)OCC)c1 1307339963 TXQPACXOWXEFQE-OAHLLOKOSA-N 406.460 1.934 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1316537092 ZSKZIFIJWDJLCX-SJORKVTESA-N 407.540 1.737 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)C1 1325234238 QRFXPMQERXUQHE-LLVKDONJSA-N 424.338 1.818 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1358928228 XAFKKCLIHHOTKK-GOSISDBHSA-N 424.505 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1359030929 KMUMPDJKOHCWLX-UGKGYDQZSA-N 416.570 1.027 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCOC[C@H]2CCOC2)CC1 1359033556 GQNNJPNRFJQXFE-LJQANCHMSA-N 410.522 1.539 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1359188587 QPFMZJCYCHNMDG-HZPDHXFCSA-N 423.583 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCSC1 1359333975 PQXACVMJBSHLAV-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1360726376 CMKTYJRGZZCPAN-QFIPXVFZSA-N 424.505 1.448 30 10 HDEE CC1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1360823096 FAWPVPVQQKNPDC-ZPHPHTNESA-N 423.477 1.482 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2cccc(C#N)c2Br)C(=O)N1c1cnn(C)c1 1361060507 YIBIPJNOCSVIJS-QMTHXVAHSA-N 402.252 1.978 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 1437440410 JVYLURQZRZRLHM-HNNXBMFYSA-N 408.520 1.844 30 10 HDEE C#C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1437872932 HRMOLWMJYURALK-SFHVURJKSA-N 406.504 1.174 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1438000517 TWBCYIXCVIWMJS-UHFFFAOYSA-N 420.531 1.788 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)c(F)c1 1449147468 JPLWLBBUAIKBCQ-QAPCUYQASA-N 411.437 1.497 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccc2c1=O 1452244450 JVHVJXFRUWRZBL-IBGZPJMESA-N 402.476 1.212 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC[C@@](C#N)(c3ccccn3)C1)C2=O 1460603936 KLBMZQQLVDJVHR-QJVIICBYSA-N 424.505 1.471 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)Cc2ccc(Cl)cc2)CC1 1460859415 CZQCBHMIINTEHA-CTNGQTDRSA-N 406.958 1.915 30 10 HDEE N#Cc1ccc(NC(=O)c2ccc(-n3cnnn3)cn2)c(I)c1 1462852001 UYJGBLAGKXNYLK-UHFFFAOYSA-N 417.170 1.786 30 10 HDEE CNC(=O)c1ccsc1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1462906869 SLEXGYMJQXQXHF-AWEZNQCLSA-N 411.443 1.823 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc4c(Br)cnn4c3)C[C@H]1CS(=O)(=O)C2 1463164115 ANBSHPALKNTCPB-XHDPSFHLSA-N 409.265 1.107 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(Cn4cc(Cl)cn4)s3)C[C@H]1CS(=O)(=O)C2 1463170112 UCRDGEPVGJFMAF-MEDUHNTESA-N 410.908 1.657 30 10 HDEE CNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1469308884 FVORTIOLZRBZLR-IBGZPJMESA-N 400.442 1.639 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1471410556 RSBUHMSFVHGAJO-LSDHHAIUSA-N 411.503 1.120 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 1473536803 GNBRYHYKMQRJQO-JQHMZKTJSA-N 420.554 1.792 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)cn1 1475477239 PASGBNBZBMHLRT-UHFFFAOYSA-N 401.366 1.800 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 1478117273 NNAAQEFXKVTQSH-CQSZACIVSA-N 405.476 1.200 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1478709000 UBGGUFCVPAYFQF-HOCLYGCPSA-N 404.467 1.904 30 10 HDEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)o1 1498283112 BYQPPXBDGUDEQJ-OCCSQVGLSA-N 406.512 1.826 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1 1503633574 GOSXWIXHWCRHEY-UHFFFAOYSA-N 402.524 1.393 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCOC[C@@H]1C 1504888402 QAFYOPSVSLIOEH-ZWKOTPCHSA-N 406.531 1.259 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCOC[C@@H]2C)CC1 1507736839 TVFMIOMAXGQZBZ-FXAWDEMLSA-N 422.533 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCC(=O)N(C)C)CC1 1507738873 GNAWFFJTMQTIKS-UHFFFAOYSA-N 414.554 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC[S@@](=O)CC)CC1 1507739835 VJMDCNRIRILHJO-ADKRDUOOSA-N 421.567 1.254 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507832996 RQOUYZKZDFKBMQ-GHTZIAJQSA-N 423.565 1.829 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508099450 XSAIABSXSGTZKE-LEWJYISDSA-N 421.542 1.626 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@H]1C 1508417240 YROCNTXOQHXXOQ-TYILLQQXSA-N 400.439 1.989 30 10 HDEE Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)sc1C 1510419988 GRYLALLVCLOIMV-ACJLOTCBSA-N 403.487 1.987 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cnc(F)c(Br)c3)CC2)c1C#N 1516424541 LINIIDYWJNXXEF-UHFFFAOYSA-N 407.247 1.859 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1518643892 HXAUFBVVLLYTSR-JOCHJYFZSA-N 424.505 1.273 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1COc2ccccc2O1 1519165890 QWDIMXTWRJRXSI-SJORKVTESA-N 413.478 1.988 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(C)CN(C)C1=O 1519167255 QSPGHXHPHUCHLR-NRFANRHFSA-N 412.494 1.798 30 10 HDEE C=CCn1cc(CNC(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)nn1 1529264854 LSLMGXFMCJOHNS-HXUWFJFHSA-N 401.467 1.235 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)N(C)C)c1 1531183950 ZSPPQDZWURXOJC-UHFFFAOYSA-N 410.492 1.363 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C(=O)OC 1535346847 MSGLGKAPUIYMFG-INIZCTEOSA-N 412.483 1.850 30 10 HDEE C=CCCn1cc(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nn1 1538655606 OIEULEUGLTZCKO-UHFFFAOYSA-N 403.508 1.578 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1539212806 SYMSDRRQDNEIAW-CQSZACIVSA-N 417.516 1.978 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1C 1539350442 LTAXMMYYCFORDY-UHFFFAOYSA-N 411.466 1.607 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cn1 1539376768 GEAFDAGEBZRQSC-UHFFFAOYSA-N 402.886 1.987 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-n3ccnc3)nc2)s1 1540790874 HOIKGOXKPVHCQM-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)C1 1540872324 KXIFOUHMSWHIJS-UHFFFAOYSA-N 402.886 1.103 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(N)=O)C1 1540913076 HKMKTXRMHYFSRO-LBPRGKRZSA-N 404.496 1.237 30 10 HDEE CC(C)c1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541341128 KXEBRLHZHMFRGY-SKOAFDGASA-N 414.510 1.791 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOC(F)F)c1 1555987538 JAUCYIHYFQVHMC-QGZVFWFLSA-N 418.448 1.967 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1557016109 AITXYFVQHZAUET-KRWDZBQOSA-N 403.504 1.215 30 10 HDEE CN(C[C@](C)(O)c1ccccc1)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557113137 AVBGMDRRMJTKLG-FQEVSTJZSA-N 401.488 1.481 30 10 HDEE C=C(C)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1557939298 YXFAVMQYJLNLNJ-ZDUSSCGKSA-N 419.297 1.351 30 10 HDEE COC(=O)c1ccc(N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)c(C#N)n1 1559290802 DGQSJEBZMHIQEM-UHFFFAOYSA-N 400.460 1.771 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564627940 ITNJQGASFQHWSD-YOEHRIQHSA-N 423.514 1.247 30 10 HDEE Cn1c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnc1C1CC1 1567054737 BHOSGGUTOVZEAP-HNNXBMFYSA-N 407.434 1.086 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1c(F)cccc1F 1583811489 DZNMNHYQHWOMRC-INIZCTEOSA-N 409.414 1.307 30 10 HDEE C[C@H](C(=O)Nc1cccc(C#N)c1Br)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1584220104 IFHRHUQPKYVASK-ZPTNNJSTSA-N 418.247 1.810 30 10 HDEE CCOC(Cn1cc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cn1)OCC 1584637306 GFYLCBRPGRANCR-UHFFFAOYSA-N 412.494 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OC(F)F)c1 1587661891 IHMXRSVVRWQMEO-CYBMUJFWSA-N 404.421 1.903 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1587879363 SAYPERZDGYBQSO-UHFFFAOYSA-N 416.526 1.871 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1587993502 GZYMRPSNDCDHSQ-UHFFFAOYSA-N 416.459 1.113 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(=O)(=O)CC 1588109815 OKGQGGWHJLHKDD-UHFFFAOYSA-N 423.901 1.750 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCN(C)C1 1595117117 ZHZJNQQABHDBDN-JOCHJYFZSA-N 405.506 1.994 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)C1 1595790236 JRZJVVWZANSESO-MRXNPFEDSA-N 413.337 1.578 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1595805395 ONDXXBPMSFKLJG-UHFFFAOYSA-N 408.528 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)C2[C@@H]3CCC[C@@H]23)nnc1[C@@]1(OCC)CCOC1 1595831564 SFLYLHMYZVQBGN-JXXFODFXSA-N 424.567 1.766 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1596821610 DQTNIUGRTUVSSO-OCCSQVGLSA-N 403.874 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)s1 1602688866 XOBCCINPQHSVQM-UHFFFAOYSA-N 406.533 1.871 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCCS(C)(=O)=O 1608402743 ZRZBFFAEDTYMAR-QGZVFWFLSA-N 414.507 1.073 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1611130076 ZXHRIUHQXOGQNK-VFNWGFHPSA-N 414.462 1.792 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1611307684 FNJOXFPDVCKMIW-BZUAXINKSA-N 417.539 1.378 30 10 HDEE COC(=O)C1=NOC2(CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)C1 1611553183 PZWBGUVTMXZUMX-UHFFFAOYSA-N 423.422 1.047 30 10 HDEE C=CCN(C(=O)c1nc(O)nc(O)c1OC)[C@@H](Cc1ccccc1)C(=O)OCC 1616305675 NWWCBCDVQJDJDX-AWEZNQCLSA-N 401.419 1.699 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1617350543 MZAQHWMOSQUCCT-QUGAMOGWSA-N 408.476 1.973 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)C[C@H]1O 1618884854 RAAUKTGRASJZIM-SJLPKXTDSA-N 407.430 1.818 30 10 HDEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1622609211 GXDHWZDQFXLTSS-SFHVURJKSA-N 424.482 1.736 30 10 HDEE C=CCC[C@@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OCC 1627751308 BKSFFBULOSPQQE-OAHLLOKOSA-N 400.435 1.975 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O 1629637513 USZSEHUYBDSQHK-INIZCTEOSA-N 404.422 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CCC=C(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1632880505 RIDMMZAOSKQIOQ-VLGSPTGOSA-N 404.467 1.586 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)OCC)n[nH]2)c1C 1635351706 BEVPWSRRZJRXFD-CHWSQXEVSA-N 416.482 1.262 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(N(CCOC)C(=O)OC(C)(C)C)CC1 1635737924 BNMDFODZQAUZQY-UHFFFAOYSA-N 410.559 1.999 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1638136850 IEVLKFHZCHCUDY-KRWDZBQOSA-N 420.485 1.980 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CNC(=O)Nc3cccc(Cl)c3)CC2)c1C#N 1638688721 FJOBDUACRUNDCK-UHFFFAOYSA-N 415.885 1.724 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nnc2ccc(Cl)cn12 1641933766 YHIKMZLGIAWXKY-LLVKDONJSA-N 418.866 1.238 30 10 HDEE Nc1nc(N2CCn3c(nnc3C(F)(F)F)C2)nc(C(F)(F)C(F)(F)F)n1 1642299084 YWRCDCCSZXHPLJ-UHFFFAOYSA-N 404.225 1.738 30 10 HDEE N#Cc1ccccc1Oc1ccccc1C(=O)NC1CCN(S(N)(=O)=O)CC1 1642515388 UBDSSZBTRMRWRN-UHFFFAOYSA-N 400.460 1.748 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCO1 1642759859 QFDRDNOWGYTFEV-MRXNPFEDSA-N 413.474 1.512 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)C1 1645274436 QAVPDNFFCUUVCN-WMZOPIPTSA-N 416.547 1.498 30 10 HDEE CN(c1cccc(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)c1)S(C)(=O)=O 1653484698 PVJVXMGSKAVOSR-UHFFFAOYSA-N 424.486 1.652 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3NC(=O)C[C@H]3c3ccccc3)C2=O)cc1 1654089068 HALJGVSWDQREBU-MSOLQXFVSA-N 417.425 1.768 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1654348882 XJOFRSLLDMLGHT-SFHVURJKSA-N 419.547 1.620 30 10 HDEE CO[C@@]1(CO)CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1655009853 GJJRNOVSNXLTOY-FPOVZHCZSA-N 404.486 1.008 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(CC(=O)OC)c(F)c1)C(=O)OCC 1663611472 UMGZYUAOGJXPOA-AWEZNQCLSA-N 407.847 1.894 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1668661951 IMDHIXWZZIZAHT-GOSISDBHSA-N 412.490 1.625 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 1672199508 CXAFHRYZXNMVSP-MRXNPFEDSA-N 413.459 1.674 30 10 HDEE COc1cc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)ccc1C#N 1672485161 VIKINMSRTPONSF-UHFFFAOYSA-N 423.473 1.141 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 1672546911 VXRRZADPMGHBHU-UHFFFAOYSA-N 409.508 1.982 30 10 HDEE Cc1ccc([C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccn2)cc1 1682265145 QIQLYVIKMQDWSM-LJQANCHMSA-N 416.441 1.880 30 10 HDEE C#CCN(C(=O)N[C@H]1CCSC2(CC(C(=O)OC)C2)C1)[C@H]1CCS(=O)(=O)C1 1684576104 OUEVVVMXIODFPV-DIODGJHASA-N 414.549 1.036 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1689913426 NZXKELYMFKDYTP-RDJZCZTQSA-N 409.556 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H]1COCCO1 1690022679 OKZQTGDEWNFHQJ-IBGZPJMESA-N 404.474 1.395 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CC)nc1C 1690033354 VUACWDIMQNPRTB-HNNXBMFYSA-N 418.523 1.258 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCOCC2)CC1 1690137167 PAHKGNFNMLNAFU-UHFFFAOYSA-N 416.570 1.264 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690292549 BRNKOWFPQMKCHW-UHFFFAOYSA-N 412.469 1.969 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690524524 NFBDZLDPTBVLLG-UONOGXRCSA-N 416.448 1.505 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1690639528 XGUZZVVHSVPFOR-AWEZNQCLSA-N 401.471 1.651 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CCC(N)=O)CC1 1690666843 IHTCQDFHJABMKP-UHFFFAOYSA-N 414.485 1.868 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690667039 OJDQPQXVONDWEL-ROUUACIJSA-N 408.506 1.803 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1690671940 CZKZEOOCBRXXBJ-SFHVURJKSA-N 414.558 1.904 30 10 HDEE Cc1nnc(N(C)Cc2ccc3c(c2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1693459025 ARKFGNITRZMRSA-VXPUYCOJSA-N 424.461 1.521 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1695931655 GRSBLWWOGICZIO-UHFFFAOYSA-N 424.509 1.193 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1697777336 NPVKDPMPDSXLRZ-NXHRZFHOSA-N 412.469 1.764 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCCCO)CCN1C1CC1 1698493208 JNBYWHKIQLGZRD-IEBWSBKVSA-N 402.543 1.901 30 10 HDEE C#CCCCCCC(=O)N1C[C@H]2CCN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C1 1702661924 NIRPZUHDPPIUAQ-QXQWVWGKSA-N 402.535 1.929 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1705475204 KAVYXUJXUADHFF-KRWDZBQOSA-N 410.522 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1705491075 XNTGAJFVQJUQST-CQSZACIVSA-N 407.478 1.221 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@H]1COCCO1 1705540619 HORRUKUFSAXSRO-KRWDZBQOSA-N 417.897 1.736 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705663239 AKYWLGALWNKGHP-HDICACEKSA-N 400.504 1.828 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705827390 CPJLPZXVBTVPMJ-LJQANCHMSA-N 421.505 1.965 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705884909 ARZHHUARSFCWCW-MRXNPFEDSA-N 413.588 1.787 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](COC)C1 1705936069 JLRGPBVNGOBBOF-SJORKVTESA-N 412.556 1.636 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCc1n[nH]c(C)n1 1712635581 VCGFPZZPPIAKOZ-RDJZCZTQSA-N 414.514 1.801 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1712663702 GNOOAYAPEODLIR-UHFFFAOYSA-N 405.480 1.694 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC(C)C)C1 1712679436 FCXLZGRFYWWUFK-SFHVURJKSA-N 412.494 1.869 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1722282054 BSZNEJPJYAQMCV-HNNXBMFYSA-N 406.494 1.812 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCCC(=O)NC 1722326139 FLCZTOKZIOEGHQ-UHFFFAOYSA-N 407.482 1.297 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1722333789 ZNJSKMVVSHTWBA-QGZVFWFLSA-N 407.540 1.427 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCn1c(C)nc2ccccc21 1722380905 BWHDJENFOOUDAA-GOSISDBHSA-N 401.474 1.660 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CC)c1 1722388246 XOVMOBZUOOHUDO-UHFFFAOYSA-N 402.462 1.653 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1722397793 UOWXXUTUKOTTFQ-VXPUYCOJSA-N 408.506 1.856 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1722411555 JKOVKFPFWUXLOU-INIZCTEOSA-N 403.508 1.220 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1COCCO1 1722418394 OXKRLFRCYJQXFI-GOSISDBHSA-N 408.437 1.929 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722439883 SYSJVXIGEWLAQR-VQTJNVASSA-N 410.522 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCOc2ncccc2F)CC1 1722444184 GVAYRRVGLMCEIN-UHFFFAOYSA-N 414.485 1.980 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCOC2)C1 1722453358 RHJFYPYXPHDJNJ-HXUWFJFHSA-N 421.567 1.559 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CC1)C1CC1 1722643996 JLVTVXUWLFTANT-MUUNZHRXSA-N 400.508 1.991 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br 1722679725 KBWRNAUNXYSUOX-SNVBAGLBSA-N 408.247 1.856 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722701487 RNGNEEILFYYNRU-APWZRJJASA-N 413.522 1.581 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2ccnc2C)C1 1722715496 SQYXOJIUELZKQT-ZWKOTPCHSA-N 413.526 1.996 30 10 HDEE Cc1nnc(N2CC[C@@H](CN3CCCCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726378218 CUPJHMZLEODBRQ-NRTINQSCSA-N 413.526 1.425 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1728266943 YVCKNFZMLMEFAI-WMZOPIPTSA-N 410.478 1.575 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCC2(O)CCOCC2)CCO1 1731186624 FLIVGRCXTVRCCV-KRWDZBQOSA-N 415.469 1.668 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1740531366 KQCYBXWQWULPNX-INIZCTEOSA-N 411.510 1.494 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1740533351 QWMQYPRLQLSRRQ-KGLIPLIRSA-N 401.496 1.042 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740578745 FQVGVZZSTYBAOU-HUUCEWRRSA-N 418.523 1.597 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740593290 WVTJPPODTZSYQS-UHFFFAOYSA-N 416.551 1.443 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(C)CCOCC1 1740680230 VRXHNQMSRUMJEY-OAQYLSRUSA-N 406.527 1.833 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1740686739 LGRPPHGFQDNZRP-HSZRJFAPSA-N 422.533 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCN(C)CC2)CC1 1740696160 NJVPOGYXGATQNL-GOSISDBHSA-N 418.611 1.365 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740723758 VTALGFOEJPWYRP-HDICACEKSA-N 416.503 1.794 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)CC1 1740956296 JNMRCRBIEHUXBA-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1740989823 YQEJMJYZLBSENQ-AWEZNQCLSA-N 405.455 1.414 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741200595 YCJVEMDBYKHZHZ-DNZUHHBVSA-N 413.482 1.122 30 10 HDEE CC(C)NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741702326 VXLLJMRAMXPNTF-UHFFFAOYSA-N 411.510 1.926 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)C1 1746539684 PDNPCRBWDDYOAK-MRXNPFEDSA-N 404.496 1.577 30 10 HDEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1747758507 BZSAOOZJKKKUGB-UHFFFAOYSA-N 414.491 1.938 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1748825591 AJZMRLKZPARHGH-INIZCTEOSA-N 401.492 1.040 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCn1cnc2ccccc21 1748948267 KDJZIQAMYCXDHT-UHFFFAOYSA-N 421.505 1.650 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1749129951 ISUKNWYICDKFFY-TWMKSMIVSA-N 410.540 1.387 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1749199115 CXEXLZQEMSADIQ-UHFFFAOYSA-N 400.527 1.958 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1749668595 ASBAFOVXDAFGPV-MOPGFXCFSA-N 413.522 1.953 30 10 HDEE CC(=O)NCCCn1c(N2CCC(CC#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1750047755 ZBRPTBBSHXRXQQ-NRFANRHFSA-N 418.542 1.975 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1760154588 GQWZHZRNTCBMQE-OAHLLOKOSA-N 401.492 1.257 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1[C@]1(OC(C)C)CCOC1 1760160127 ZKHUDDJWVIITKQ-QFIPXVFZSA-N 415.538 1.839 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1760183817 UEWKTNCVCYRUKY-ZBFHGGJFSA-N 421.523 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCN1CCOC1=O 1760204434 PNSFEOCWYSXXNT-UHFFFAOYSA-N 407.474 1.793 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H](C)CN1CCOCC1 1760247807 PWHGWNVFVMFQPG-SFHVURJKSA-N 412.538 1.703 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NCCc2ccccc2)CC1 1760253227 CHYCSAOCRCMOCK-IBGZPJMESA-N 408.550 1.906 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1760258677 AXSAFKMNEHWYOP-HXUWFJFHSA-N 422.533 1.140 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCCN(CC)S(C)(=O)=O)CC1 1760401077 ZGMXYQCHRRFLFL-UHFFFAOYSA-N 419.555 1.809 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1760461972 MTEAYAFOHSLHEO-MRXNPFEDSA-N 403.508 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1760518519 BASHPPPHUUITTC-DOTOQJQBSA-N 401.467 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760523183 OULUFBJVFFYMJF-CYBMUJFWSA-N 411.432 1.648 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)CCOC)C1 1760534096 RNBNUVNCMKAPGU-JXFKEZNVSA-N 407.515 1.083 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1761362305 BLSYCSBKDPMWKU-CJNGLKHVSA-N 416.507 1.066 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](CC(C)C)N(C)C)CCOC1 1767481910 FDGSSBUTRGIFRY-LVCYWYKZSA-N 420.558 1.635 30 10 HDEE COc1cc(F)cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1768348617 CSXINCYBERMCBT-UKRRQHHQSA-N 421.498 1.972 30 10 HDEE COCC(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769190528 CSUIMOCJSFTSGD-UZLBHIALSA-N 407.515 1.720 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1770346910 KVZJYVAJQWUZPE-OALUTQOASA-N 413.478 1.878 30 10 HDEE Cn1cc(C#CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cn1 1850090133 ODFLEKGUIVERNU-UHFFFAOYSA-N 420.922 1.642 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)n1 1852396876 IYDPCALAVLBOFX-HKUYNNGSSA-N 418.453 1.739 30 10 HDEE CCS(=O)(=O)NCCCC(=O)N1CCCc2nc(C#N)cc(Br)c21 1852895590 DVQUGUPTUOWFPP-UHFFFAOYSA-N 415.313 1.714 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2c(C)noc2C)C1=O 1853829698 YECQHMXUFXRDQS-MSOLQXFVSA-N 402.495 1.460 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1C[C@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854361897 LQFBMHJGXSAIJQ-INIZCTEOSA-N 420.418 1.796 30 10 HDEE COc1cccc2sc(N3CCN(C[C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc12 1854741800 OWLXCSRSSMITHY-AWEZNQCLSA-N 413.503 1.716 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)CN2CCC(F)(F)CC2)CO1 1854777093 UFBMMLLCLXWGMQ-AWEZNQCLSA-N 415.418 1.137 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)COc3ccc(OC)nc3OC)C2)CC1 1855574546 UUWGURWVSCCVPU-MRXNPFEDSA-N 403.479 1.895 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1856542121 JUWSBLJFCJSRRQ-KRWDZBQOSA-N 404.511 1.997 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCc4ccc(OC)cc4C3)C2=O)CC1=O 1856544221 GRAFUIGQVKNHRI-UYAOXDASSA-N 411.502 1.605 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCC(S(C)(=O)=O)CC3)C2=O)cc1C#N 1856550146 ZJIAZJNRMIXKCC-SFHVURJKSA-N 403.504 1.507 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856551427 MTUWLTQNJBPCFR-PKOBYXMFSA-N 416.522 1.157 30 10 HDEE Cc1c(C(=O)N2CC[C@H](N(C)CCC#N)C2=O)cnc(N(C)C)c1Br 1856552586 IPWDSNTUMPSODC-ZDUSSCGKSA-N 408.300 1.805 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCSc4ncccc43)CCC2=O)CC1=O 1856658332 JMWWWCMAWSGTLP-HOTGVXAUSA-N 414.531 1.793 30 10 HDEE Cc1cccc(OCC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)c1 1856894221 CDAGVSKIBSDLLJ-UHFFFAOYSA-N 413.455 1.997 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(CC(=O)C4CC4)CC3)CCC2=O)c1 1856969148 YCMOETFDVFATCM-GOSISDBHSA-N 408.502 1.534 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1857033606 DFMMICSDWCXOKA-FUHWJXTLSA-N 419.547 1.966 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@H]1CCN(C)C1=O 1857043813 YFWKMQVJRVTIOC-MSOLQXFVSA-N 415.538 1.870 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1=O 1857057561 URVNRJXLBNTXRN-GOSISDBHSA-N 419.547 1.724 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncc(Cl)cn2)C1)[C@@H]1CCN(C)C1=O 1857081046 SZUIWZAFGWKMNQ-UKRRQHHQSA-N 405.886 1.228 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CCC(=O)N(C(=O)CCCn3ncccc3=O)C1)CC2 1857280821 DYBRZXMYVSXQAB-MSOLQXFVSA-N 411.506 1.414 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857357243 XTCCAVXBFPGCAU-IRXDYDNUSA-N 404.511 1.997 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@H]4[C@H](C3)C4(F)F)ccc21 1857461358 QWNXBOIUUJRHIY-KBPBESRZSA-N 409.414 1.682 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)ccc1F 1857487651 CDMZKGJLUZXMBZ-ZDUSSCGKSA-N 416.434 1.463 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCCc4cnccc43)ccc21 1857509331 JABFEJLNYTZSGS-UHFFFAOYSA-N 410.455 1.943 30 10 HDEE NC(=O)C1CCN([C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860608163 NGVSJNKHUUXSIM-HXUWFJFHSA-N 401.507 1.459 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)CCCNS(C)(=O)=O 1861880760 PSZWYEXPSKSIRO-GOSISDBHSA-N 407.536 1.244 30 10 HDEE CSCC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1cccc(C#N)c1 1866586100 IKAFDFUJGCMJRE-GOEBONIOSA-N 409.533 1.559 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)C(=O)Nc2ccccc2C#N)cc1S(=O)(=O)N(C)C 1866633072 IBDIWJFGFWBOKL-CQSZACIVSA-N 414.487 1.874 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN(CCO)CCCC)cc1=O 1870388289 OZFXACFPZYEONB-UHFFFAOYSA-N 423.535 1.703 30 10 HDEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593428 BVNLZJNQLRLOIC-INIZCTEOSA-N 412.494 1.195 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CC1(O)CC(C#N)C1 1882521481 KIRVOTXKLFUGBC-XAUUPUKJSA-N 424.475 1.224 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)n1 1889404758 PAEAAPULZUNQED-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCC[C@@](CO)(NC(=O)OC(C)(C)C)C1 1982301337 ASTLFERSCVSSFD-CQSZACIVSA-N 413.334 1.576 30 10 HDEE C[C@H](C(=O)NCB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1985105270 OZVXSUYEONYSFU-CYBMUJFWSA-N 411.308 1.202 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 1991842286 CNXBWWKPGVLFIR-NSHDSACASA-N 411.318 1.291 30 10 HDEE C=C(CNC(=O)C1=C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991968678 XMMAEKJUAZMSON-HUUCEWRRSA-N 408.304 1.875 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)C1 2118170647 OJJXKGBIDCQFOF-KDFPIBABSA-N 406.530 1.088 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)C[C@H]3C[C@H]3C(F)(F)F)s[nH]2)OC1(C)C 2166426049 XGPPVMCKGDAVDD-HTQZYQBOSA-N 413.252 1.199 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@@](C)(CNC(=O)OC(C)(C)C)C1 2174782355 POJDZIUDFPQRPS-GRDNDAEWSA-N 402.517 1.081 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@@]1(O)C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 2188824045 AMZXMVGRPLZVKE-UOIKSKOESA-N 401.529 1.749 30 10 HDEE C[C@H](NC(=O)N[C@H](C)S(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2203126247 OAVLKSFLMOUHJJ-QWRGUYRKSA-N 402.347 1.798 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2212738652 WKNFGZOCGSXZNQ-HNNXBMFYSA-N 407.320 1.703 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NC[C@@H](C)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446165 FWAMRSUZELYNTF-QAPCUYQASA-N 403.545 1.503 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@H]2C1 2243383004 WAYGIHURQUDLIS-GJZGRUSLSA-N 406.288 1.468 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2243693730 FSDMMTSJKXBECK-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCN(C)C(=O)OC(C)(C)C 2247832936 XWPMHLCKXIBVNH-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE C[C@@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247915693 IEDPOHZLDBFGAD-INIZCTEOSA-N 412.343 1.970 30 10 HDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)cn1 2248412328 IVGWSZSRHRBCCX-OAHLLOKOSA-N 418.303 1.737 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H](C)CC[C@@H]1C1OCCO1)B1OC(C)(C)C(C)(C)O1 2255954021 RRCLDIUTCUAKFB-UKRRQHHQSA-N 401.334 1.977 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@]3(O)CCOC3)c2Cl)OC1(C)C 2281949274 HTODXPUCEWCGFI-KRWDZBQOSA-N 401.721 1.972 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282021615 AVNXDVQFXCPIMH-HIFRSBDPSA-N 403.288 1.389 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282028510 FWTLBZYXYSGPLT-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC(C)(CNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)NS(C)(=O)=O 2282200099 JTLSKDUELBTUHH-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1csc(=N)[nH]1 2282331368 MNHKZQQTTMCTNZ-SECBINFHSA-N 415.371 1.956 30 10 HDEE COCCN(C1COC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332584 DEHFDKFRZNJZTF-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H](C)C[C@H]1O 2282335634 RZGZNPXOLJLKKF-YRGRVCCFSA-N 401.359 1.827 30 10 HDEE CN(C[C@H]1COCCO1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340371 FBXRIZZYPFYQOO-ZDUSSCGKSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H]3CCN)s2)OC1(C)C 2282345222 YWRVRXBNHLEULO-ZDUSSCGKSA-N 400.375 1.939 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2(CO)CCC2)c1B1OC(C)(C)C(C)(C)O1 2282416727 ACAWZTABPXSOHU-UHFFFAOYSA-N 401.359 1.857 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282493677 XPVFEOFEAOWQEA-RISCZKNCSA-N 401.721 1.641 30 10 HDEE C[C@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502549 MVDQDAAHQBLOPT-ITDIGPHOSA-N 401.721 1.687 30 10 HDEE CC1(C)OB(c2cc(Cl)cc(C(=O)NCCCS(N)(=O)=O)c2)OC1(C)C 2282575056 XTMXBHUTEFARTR-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC(S(C)(=O)=O)CC3)ns2)OC1(C)C 2282608928 BALSZBBBCFYWBD-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@H](N)C2)OC1(C)C 2282837101 RYUNGBGUPMHEOE-RYUDHWBXSA-N 401.363 1.132 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@H]2CN)OC1(C)C 2282837147 SCUMIZVLHBCCIL-FZMZJTMJSA-N 400.737 1.655 30 10 HDEE CC[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H](O)CC 2282837735 GUSAMZJLPMOCNP-WCQYABFASA-N 404.363 1.411 30 10 HDEE CN1CC[C@](C)(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282842951 FZGBZVBPOGHIDS-KRWDZBQOSA-N 400.375 1.561 30 10 HDEE CC(C)(C)[C@@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846673 MTECITRPCHFHDR-LBPRGKRZSA-N 404.363 1.269 30 10 HDEE CN([C@@H]1CCC[C@H]1CN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854137 NUUORCVZAXJFPB-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@@H](N)C3)ccc2Cl)OC1(C)C 2282866320 HFQXSRYBVMEKFU-TXEJJXNPSA-N 400.737 1.655 30 10 HDEE CC[C@H]1C[C@@]1(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400899 CKSJKAFMVPYZJM-QFYYESIMSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC2(C(=O)O)CC2)OC1(C)C 2284411542 LRJHIQWEFUZSQO-UHFFFAOYSA-N 401.677 1.535 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@]4(CN)C3)cc2Cl)OC1(C)C 2288259168 CEQSPOHXQMMFHC-QFYYESIMSA-N 418.777 1.670 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2F)n1N=Cc1ccc(O)cc1O 2329727648 NNYHIPFPPHLGRT-UHFFFAOYSA-N 401.423 1.879 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OC)C1 2365211805 PCYZURFGTBCTNT-YZVOILCLSA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367811506 JBTREPGDHKKQAD-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE COc1ccc(C(=O)/C=C2\N=C(NS(=O)(=O)c3ccc(N)cc3)N=C2O)cc1 5894770 WMCLYVFXNVMFHO-GDNBJRDFSA-N 400.416 1.649 30 10 HDEE CCOC(=O)N1CCN(/C(=N\C(=S)NCCOC)Nc2nc(C)cc(C)n2)CC1 14161521 NXUKQTNSBPZJJN-UHFFFAOYSA-N 423.543 1.156 30 10 HDEE COc1ccc(CN/C(N)=N/S(=O)(=O)c2cc(OC)ccc2OC)c(OC)c1 20857198 GTJHBEVVYPHVLQ-UHFFFAOYSA-N 409.464 1.514 30 10 HDEE C=CCn1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 23516252 BQRAROWVDUBJJX-NEPJUHHUSA-N 409.537 1.778 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 30115548 NYKUCJAZALBXQV-KRWDZBQOSA-N 413.499 2.000 30 10 HDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC 71555343 JCGVPFMSZPZKPN-NSHDSACASA-N 416.521 1.863 30 10 HDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 429253160 AIVQDYIRUUNBAA-IBGZPJMESA-N 420.473 1.836 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 436960051 GJGFWWVLZJSBQK-UHFFFAOYSA-N 407.398 1.689 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 441220353 TXPMDBNHQZDKFV-ZFPMVRGYSA-N 419.865 1.964 30 10 HDEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)C(=O)NCC1CCC(C#N)CC1 443327396 GJKJHDXIZXSNJH-UHFFFAOYSA-N 412.490 1.852 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 460376739 UVSOVQUMFICSNH-INIZCTEOSA-N 420.495 1.947 30 10 HDEE COc1cc(CNC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)ccc1C#N 462482149 VJHCOPGWGNNIFD-UHFFFAOYSA-N 422.441 1.963 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1 475023203 HSWHRBNPQUZKJP-HXUWFJFHSA-N 414.462 1.157 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 481071156 HXNISGWMXNOQRZ-NSHDSACASA-N 418.397 1.611 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1ccc(F)cc1F 481751682 RPXLWNXWXQZFFF-LBPRGKRZSA-N 409.414 1.698 30 10 HDEE Cc1nc(S(=O)(=O)NCCC(=O)N[C@@H](CCCC#N)c2ccccc2)cn1C 487390237 PPHUBVZPWXANBG-KRWDZBQOSA-N 403.508 1.948 30 10 HDEE C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2ccc(C#N)cn2)CC1 497460600 BNSDNKNZBVGYMO-KRWDZBQOSA-N 421.501 1.594 30 10 HDEE C=CCOc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1Cl 506584404 LLTDQCFDDDJYAC-UHFFFAOYSA-N 415.943 1.599 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 507403416 OBTRUTZRCOSAAI-XOBRGWDASA-N 400.435 1.637 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(Cl)c1 507535622 VIAUGAFDOQXTAD-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CC3)c2=O)cc1C 516830291 RKOCVTXBSOXJSO-UHFFFAOYSA-N 411.527 1.898 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CCC1 517058508 ISXDGPCKJSIIQH-UHFFFAOYSA-N 411.911 1.887 30 10 HDEE CN(C)CCOc1ccccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 520182021 AFAYCILGPZKPHG-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 535875322 HSJRPVRLBJNHAR-NZPGVSJUSA-N 407.492 1.020 30 10 HDEE Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 546197605 JYRKLEPDFALWPQ-UHFFFAOYSA-N 415.457 1.711 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 549256981 RUYHKVJOSCZJMT-HNNXBMFYSA-N 407.478 1.691 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(COC)(C(=O)OCC)CC1 549657585 FPGACXGMSOLTJA-MRXNPFEDSA-N 408.499 1.738 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1F 549691547 JHZUIKJQRNATKB-KRWDZBQOSA-N 423.514 1.963 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@@H](c2cc(Cl)cc(Cl)c2)N2CCOCC2)n1 553168568 MTSQRCSRUHWOGW-MRXNPFEDSA-N 409.277 1.646 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCC(C)C)n2C[C@H]2CCCO2)CC1 555385268 WCBDZIDIDCPXSN-GOSISDBHSA-N 404.559 1.470 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCCO2)CC1 555459282 PTLNIIRYYBVYLU-FQEVSTJZSA-N 424.549 1.938 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)C)CC1 559079719 WUMXEFFSDMMKKM-UHFFFAOYSA-N 407.522 1.897 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(F)(F)F 561052353 JVPCJQURNKXICR-ZDUSSCGKSA-N 407.389 1.667 30 10 HDEE Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586861111 WNWUVMSNBZLPBP-LJQANCHMSA-N 408.433 1.539 30 10 HDEE CN1C[C@@H]2CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)[C@@H]2C1 590011715 DWCFLBJZPLPCNR-CSODHUTKSA-N 411.550 1.992 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccccn2)c1=O 590943082 COLAXAQKXFUQRG-UHFFFAOYSA-N 418.522 1.878 30 10 HDEE COCCOc1cccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 609412629 XUBJPMRMZUOOKS-UHFFFAOYSA-N 417.487 1.752 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cscc2Cl)c(=O)n1C[C@@H]1CCCO1 610929059 UTNOOVMNVYCUTM-NSHDSACASA-N 409.920 1.053 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](O)CC(F)(F)C3)CC2)cc1 615907266 BVLAGKXGRANHSD-HNNXBMFYSA-N 413.446 1.187 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1 619244599 GYJABBJODOKDMK-UHFFFAOYSA-N 410.455 1.650 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(CNS(C)(=O)=O)CC1 672142891 GABDCDSOACBMIB-UHFFFAOYSA-N 418.519 1.839 30 10 HDEE C#CCN(C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCS(=O)(=O)C1 729330910 HPEAAPWQQUDTFE-INIZCTEOSA-N 405.476 1.460 30 10 HDEE C#CCN(C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)[C@H]1CCS(=O)(=O)C1 729335026 YLTUNEGVARNUNL-KRWDZBQOSA-N 415.519 1.087 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730144017 YQZSWQVMVKLIFF-QGZVFWFLSA-N 406.552 1.949 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cc1[N+](=O)[O-] 730253795 WDNQBAFTPAZEKX-AWEZNQCLSA-N 412.427 1.032 30 10 HDEE COc1ccc(CNC(=S)NN=C2CCN(CCN3CCOCC3)CC2)cc1 731557407 MEYRMBXYJULSSV-UHFFFAOYSA-N 405.568 1.443 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(NC(=O)C2CCC2)c1 732444001 GKTFBSVMTSKAPP-CZIZESTLSA-N 411.462 1.751 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C3CC3)nc21 732647465 FTBDUAOGOASJDU-OAHLLOKOSA-N 422.489 1.597 30 10 HDEE C#CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 733247076 IQPSNBBKMFJQIN-UHFFFAOYSA-N 402.520 1.820 30 10 HDEE C#CCN(CCC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 744397173 CMYHFZJPNJGCCN-CYBMUJFWSA-N 414.911 1.808 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)NC(C)=O)cc1 750420200 YRFVEBYGPSSVAF-LJQANCHMSA-N 415.471 1.780 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751686971 KWJORSRJFJDMSQ-QZTJIDSGSA-N 414.531 1.456 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1O)[C@@H]1CCS(=O)(=O)C1 755127424 WHNRZRBXNZCLGS-SNVBAGLBSA-N 419.240 1.259 30 10 HDEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)cc(Br)c1OC(F)F 765593028 XVIAGWNZGBESCQ-UHFFFAOYSA-N 405.155 1.385 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 767547573 IONWOQSRMLZRDL-IBGZPJMESA-N 416.434 1.889 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 768298396 ZJVPRTDXOFDQFP-RURFIKTLSA-N 418.494 1.905 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@@H]2O 768470922 ORYRAHZMTXWFDA-PXAZEXFGSA-N 401.444 1.680 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)cc1 780205256 KXPIOCOZESXWBN-INIZCTEOSA-N 424.381 1.770 30 10 HDEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)N1CCN(c2ncccn2)CC1 781402127 ZHAIGMSKGDTEGN-INIZCTEOSA-N 405.458 1.660 30 10 HDEE N#CCC1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 782088364 JGXXWSXAXXRNPN-MFOYZWKCSA-N 416.547 1.757 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)n1 788695582 VSZKWIPLOXHZGJ-UHFFFAOYSA-N 408.455 1.451 30 10 HDEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)Nc2cc(C#N)ccn2)c1 788844764 JYKDUKGYNCAJHM-PLNGDYQASA-N 403.416 1.957 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 790641728 AVONIAUJRSPDAC-FHWLQOOXSA-N 414.506 1.593 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@H]2CCC[C@H]2CNS(C)(=O)=O)c1 799928004 MXLHYTMYUSSTFH-JZXOWHBKSA-N 408.524 1.885 30 10 HDEE C[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)[C@H](O)c1ccccc1 808946897 BJZPNYMPRASASJ-KDOFPFPSSA-N 404.430 1.375 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H](C)[C@@H](O)c1ccccc1 812849777 JFJCZSXENJQVMC-HRAATJIYSA-N 411.506 1.947 30 10 HDEE CN(C)/C(=N/Cc1ccccc1)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 849070487 PJICBMWPTHXULB-UHFFFAOYSA-N 422.576 1.976 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)CC1 916999935 BMWBLKJJSSXGEZ-UHFFFAOYSA-N 418.501 1.518 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1 918479908 RSKOWNLQOZERSF-MRXNPFEDSA-N 401.444 1.792 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3(NC(=O)OCc4ccccc4)CC3)CC2)c1C#N 1128031320 VSCUDSONWIRWGD-UHFFFAOYSA-N 422.489 1.708 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3ccc(OC)c(C#N)c3)C2=O)cc1 1132759773 FOTIZQJSMICCGZ-NRFANRHFSA-N 408.414 1.981 30 10 HDEE C#CCN(C(=O)c1cnn2c1N[C@@H](C1CC1)C[C@H]2C(F)F)[C@@H]1CCS(=O)(=O)C1 1136354855 ATNOLSIRUSGJDA-YUELXQCFSA-N 412.462 1.546 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CCO1 1136625915 DUYRABCXEDMFJD-GFCCVEGCSA-N 408.199 1.841 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCC[C@@H]3C(N)=O)C2)C1 1148396970 FCYUBARBUUTJLT-WOVJRVSISA-N 404.511 1.934 30 10 HDEE C[C@](O)(CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccccc1Br 1155763016 NPJBZRWVUBBSEM-LJTZQCLUSA-N 422.279 1.689 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CC(OC)(OC)C1 1159958362 ANKFSTVNBMVWLF-INIZCTEOSA-N 423.535 1.799 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1snc(Cl)c1C#N 1163523275 IDAXYSLYTHDNRS-UHFFFAOYSA-N 401.857 1.991 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1171843387 KNSRETJKADFSRF-UHFFFAOYSA-N 406.458 1.887 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)c2nc(S(N)(=O)=O)c3ccccn23)C(F)(F)F)c1 1175354709 QAWOALMCVRPUSK-CYBMUJFWSA-N 423.376 1.887 30 10 HDEE COCCOCCOc1ccc(CN2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1193495312 AFYAXZMHZPGBIJ-UHFFFAOYSA-N 413.522 1.964 30 10 HDEE CCNC(=O)C(C)(C)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1211117454 GMQVUMNPAPSMAJ-UHFFFAOYSA-N 406.277 1.900 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@@H](S(C)(=O)=O)CC2)c(C#N)cn1CC 1219176078 BHEIWYRABVDSDY-CQSZACIVSA-N 410.496 1.987 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)n1 1230699167 YUBGHWBAQNLZQT-MRXNPFEDSA-N 407.515 1.835 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1286288029 FPBNVMBONULHHX-CQSZACIVSA-N 407.478 1.176 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1286376149 GKJWRVCGHCAGES-KRWDZBQOSA-N 403.508 1.037 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1286407105 CHYSGBWHCAZZSY-LJQANCHMSA-N 418.501 1.490 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CCCC 1286432176 ZVKNSSRCBJMUBP-SFHVURJKSA-N 405.568 1.375 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@H](O)C2)CC1 1286473240 ZFCFAFXFPRPBBS-OTWHNJEPSA-N 405.543 1.308 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2nccn2C(F)F)CC1 1286482756 YFTGEMBOKKQUQF-UHFFFAOYSA-N 412.448 1.659 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CC(N)=O)C1 1286515289 WULYHQAHJPSYNK-BQFCYCMXSA-N 421.567 1.460 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCCN(CC)S(C)(=O)=O)CC1 1286662918 BPXQIXPAWITNFF-KRWDZBQOSA-N 411.572 1.856 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1286785308 CWPUOMOCDWRLQF-CYBMUJFWSA-N 418.523 1.303 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCSC2)nnc1[C@]1(OC(C)C)CCOC1 1286793007 ORMCZKSWWHTYCV-BEFAXECRSA-N 409.556 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)C2CC2)C1 1286798808 OSILDULHWFKOSB-IERDGZPVSA-N 412.494 1.868 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286835340 VCKSRSVQPWEVFS-CABCVRRESA-N 420.539 1.254 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@H](O)Cc2ccccc2)s1 1298677609 ZLTJELWIPFZZFL-MRXNPFEDSA-N 408.545 1.817 30 10 HDEE CO[C@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)CCOC1 1299806565 MTKSKFKNGXRZGI-DJJJIMSYSA-N 402.455 1.550 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)cc1 1300235874 XBPYLYBDZOHDEI-INIZCTEOSA-N 419.425 1.292 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1300371692 HPFXOYCHYAOGAI-UHFFFAOYSA-N 400.527 1.509 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C(C)C)CC1 1300693469 YXIHYPANEWVHHG-UHFFFAOYSA-N 419.533 1.734 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)c2ccsc2)CC1 1300710750 JZGBBFUKLJSHKB-YLJYHZDGSA-N 401.536 1.854 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1300756326 JVJPUQKROCUYQJ-KRWDZBQOSA-N 413.551 1.713 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300800961 DPAQGAXDPSMHCU-YJCBXQLOSA-N 420.477 1.197 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC 1300884859 MHYITSJOTFEOQX-XHSDSOJGSA-N 413.544 1.048 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1301296311 FZHLBRUGDQSFHB-HNNXBMFYSA-N 422.530 1.687 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1301297199 NGLNVEQORNTPIC-ZDUSSCGKSA-N 404.521 1.855 30 10 HDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1301333379 GLDLWCPFHNPTTH-FQEVSTJZSA-N 411.483 1.481 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](OCCOC)C1 1301484630 JFXOKBWRTVYAKE-LJQANCHMSA-N 424.505 1.751 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1302370427 PSPCJKAITFRFGN-UHFFFAOYSA-N 410.478 1.311 30 10 HDEE CC(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1302654825 MFYOXPSMENOSTL-AWEZNQCLSA-N 406.512 1.680 30 10 HDEE C[C@H](Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1302870886 VNDJTGOIZZIBOY-CABCVRRESA-N 413.482 1.982 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)C2)nc1 1309542032 GNVPVWPZZGHVKR-HZPDHXFCSA-N 401.444 1.576 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312470918 QFICGBCREMUHNJ-DZKIICNBSA-N 404.471 1.262 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1 1314517687 ROTJWUULFUUSTK-CZUORRHYSA-N 407.496 1.902 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1314760209 FCVGMIVPDCQNRI-HTXNQAPBSA-N 421.465 1.170 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1314920883 SWZXVRXCQYWMFZ-LEWJYISDSA-N 423.452 1.649 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1316115326 HBKYEBYNMABXMC-BBWFWOEESA-N 404.515 1.263 30 10 HDEE COCCOC1(Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1316227605 PYZVBSGIWBZUJB-QGZVFWFLSA-N 421.542 1.808 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CCCCC#N)CC1 1353642883 FGHAIZKWPVZQIK-UHFFFAOYSA-N 411.480 1.600 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CC1 1359037308 FAHUUQAXQCXNQT-QGZVFWFLSA-N 410.488 1.870 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nccs2)CC1 1359038419 VWWBEYYBTLPNOT-UHFFFAOYSA-N 413.551 1.245 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359058980 WLJMWKNZEONDCT-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1359132388 WMQJZDHMNQBMGG-STQMWFEESA-N 403.405 1.589 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@H](C)C1 1359148803 CMWRYOVSTMTUTK-CQSZACIVSA-N 422.917 1.915 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1359328279 YXWYGVYARUZXME-INIZCTEOSA-N 405.528 1.083 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCOC2)C1 1359332287 UKZWEOQIGIHRAM-LPHOPBHVSA-N 410.540 1.390 30 10 HDEE Cc1cc(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)nn1CCC#N 1435748075 KXWXIEPCVGUSST-UHFFFAOYSA-N 409.493 1.774 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 1443049815 JCYPAMZRDOLBTQ-MRXNPFEDSA-N 417.514 1.376 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CCNC2=O)CC1 1443671606 UPKOYNTUIVQTLN-GDBMZVCRSA-N 405.296 1.684 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)s1 1452476847 MTYRSVKRMHVHOA-GFCCVEGCSA-N 402.538 1.849 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c(=O)nc1O 1453839549 AAXUOQORDRYLQR-UHFFFAOYSA-N 406.373 1.621 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)O)cc1 1455035639 BDPMAHKFEBVUHJ-DJKXOVBDSA-N 413.499 1.178 30 10 HDEE COc1ccccc1Nc1ncccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457200065 MZEFZOGCSPHYQI-UHFFFAOYSA-N 418.413 1.665 30 10 HDEE CCN(C)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1457415581 QXOPZTVQUPPQHI-MRXNPFEDSA-N 406.552 1.838 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@]3(CC(=O)c4ccccc4O3)C2)CC1 1460227434 HPBIDSZXBSGDIU-XXBNENTESA-N 410.518 1.789 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1461393599 ZKLXUFGLJVTERY-UHFFFAOYSA-N 406.504 1.888 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1464019584 XYFYETKXNOSCRB-CYBMUJFWSA-N 404.282 1.678 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)cc1 1465259319 SPKVUROHDVFVOP-RDJZCZTQSA-N 406.508 1.768 30 10 HDEE COc1ccc(-c2nc(SCC3CN(S(C)(=O)=O)C3)nc(O)c2C#N)cc1 1472935457 BCZJQAUUTCHYKN-UHFFFAOYSA-N 406.489 1.713 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCNC(=O)c2cccc(Br)c2)C1 1477726794 OZFAOJOQDIFUFQ-KRWDZBQOSA-N 421.339 1.966 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCc3ccccc3NC2=O)C1 1478402831 FYZUUBYCXVHWML-BHYGNILZSA-N 413.478 1.998 30 10 HDEE CCO[C@H]1COCC[C@H]1NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478413013 DBYGMZJWWCCODE-QUCCMNQESA-N 424.505 1.974 30 10 HDEE O=C(NCc1nc(O)cc(CNCC#Cc2ccccc2)n1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1489079266 ODTSUQUJCJDXMA-CMXRIWHBSA-N 404.470 1.363 30 10 HDEE CCO[C@@H]1C[C@H](N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1502939705 DRLNIWBIXMQIDM-POSVEHLBSA-N 414.510 1.897 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1503374239 LSMKNEKQUUUZNE-SFHVURJKSA-N 423.521 1.459 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)c1ccco1 1503378533 CJDUQRWKUSXQAA-KRWDZBQOSA-N 405.462 1.649 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@H]2C1 1505144806 MGVWWHUISYAVOK-SFHVURJKSA-N 414.535 1.536 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507621448 ANOXZSGQPZMFFR-DOTOQJQBSA-N 407.584 1.685 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCn2ccnc2C1)[C@H]1CCS(=O)(=O)C1 1507623893 YUNDUFCVXRYSLZ-SJORKVTESA-N 416.551 1.487 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1CCCCO1 1507702772 NSMICTDYBZKXDA-QGZVFWFLSA-N 412.494 1.971 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1507968659 WNWQCPMYKTWZLB-QGZVFWFLSA-N 418.542 1.759 30 10 HDEE CCOCc1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1516490086 OCMXEODVTLIAAE-ATWJUZPFSA-N 400.483 1.433 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1519078543 RWYBCANSOWHAHB-INIZCTEOSA-N 412.494 1.822 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)ccc1-n1cncn1 1525869994 IDNRVWPZWDXLEZ-CYBMUJFWSA-N 408.853 1.933 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1526523933 LEYZZYUXKREOTK-MOPGFXCFSA-N 417.429 1.379 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cnc(Cl)cc2C#N)cc1 1531023557 WIQWGQFHHPZVDC-UHFFFAOYSA-N 421.866 1.824 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1532372760 QXQUVNVIZGMEQO-GJZGRUSLSA-N 400.504 1.834 30 10 HDEE Cn1c(=O)c2ccccc2n1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1535305566 COGSTGVTJGTITQ-UHFFFAOYSA-N 424.482 1.953 30 10 HDEE CCc1ccc(C(=O)N2CCO[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1536620201 ZFCFZAQHRHZCQG-IBGZPJMESA-N 407.492 1.025 30 10 HDEE N#Cc1cccc2c1CN(C(=O)Cc1ccc(S(=O)(=O)N3CCOCC3)s1)C2 1537886960 FWQXZYNQUJDHGV-UHFFFAOYSA-N 417.512 1.726 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1538833347 QASSFRTVZADGDX-OAHLLOKOSA-N 417.491 1.665 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539060393 SFPYHSWEMCFCTC-INIZCTEOSA-N 402.524 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1CCCO 1539245280 CRNPXVOBIQJGRC-HXUWFJFHSA-N 422.489 1.773 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1539253614 WRCLWOOUROHUPW-KRWDZBQOSA-N 412.515 1.851 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539750919 DPVWVDRNSHSCJK-SQNIBIBYSA-N 403.527 1.727 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCC(=O)N1 1540194622 VIHBZAPQPGEREJ-MRXNPFEDSA-N 413.478 1.634 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1540472396 MHPYRXINLUNDJU-INIZCTEOSA-N 416.409 1.526 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CCS(C)(=O)=O 1540866295 IXGBNXOJQDASAP-UHFFFAOYSA-N 411.915 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540868269 YLXYKMFAXKRVEN-UHFFFAOYSA-N 405.462 1.378 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540880725 OUQVPKLOLFPLOX-KRWDZBQOSA-N 424.505 1.926 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2)C1 1540890321 CQIHFTHGIVZDMA-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nc(C)cs2)C1 1540892461 LYQOKQAFMLSYSN-GJZGRUSLSA-N 423.564 1.775 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCOCC2)C1 1540893310 AAAWQNURVDTOSZ-QUCCMNQESA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1540906784 BNNXCKQJEDZGGH-CALCHBBNSA-N 412.556 1.462 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540915207 HSMTVCKUSCUWPM-OAGGEKHMSA-N 410.540 1.799 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1540915468 LULSKKISGUALBR-NWDGAFQWSA-N 405.446 1.916 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1544784956 SVVMLPSVGANBCO-SJORKVTESA-N 400.447 1.825 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC1CC1 1545458776 MEBRYYZMAWWEOA-CYBMUJFWSA-N 409.494 1.853 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)OC 1555247459 AEMZOWWUBCTYCO-DYESRHJHSA-N 410.478 1.337 30 10 HDEE Cc1c(C(=O)NCc2ccc(C(=O)NO)cc2)nnn1CCOc1ccc(F)cc1 1556381769 GYXQGZBEZXDOEP-UHFFFAOYSA-N 413.409 1.854 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1557985335 HQVHGAAZZJYGPH-LNLFQRSKSA-N 400.523 1.792 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC2(CC1)CNC(=O)c1ccccc1O2 1560139672 FUJQUXNPAICVIU-GOSISDBHSA-N 407.470 1.955 30 10 HDEE COC(=O)[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]([C@@H]2CCCO2)C1 1560165543 OHDYHQFIEIOHAR-AHRSYUTCSA-N 410.470 1.719 30 10 HDEE N#C[C@]12CN([C@@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@H]1CS(=O)(=O)C2 1560194805 ZZEWSDCGLAWNNW-XGWLTEMNSA-N 413.421 1.681 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)CC1 1563566254 VQEHGSRRWDQEJC-UHFFFAOYSA-N 403.479 1.270 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H]2CS(=O)(=O)NC)CN(C(=O)OC(C)(C)C)C1 1566141965 LTLKENZRSDLEJV-AWEZNQCLSA-N 401.529 1.340 30 10 HDEE COc1ccc(Cn2nnc(C(=O)N(C)CCCc3[nH]nc(N)c3C#N)c2C)cc1 1566443239 DOVGLHVBXQUVPY-UHFFFAOYSA-N 408.466 1.525 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cn1 1568549503 ZXJAGAROQNVGDM-NVXWUHKLSA-N 403.527 1.358 30 10 HDEE CC[C@H](C#N)N(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1585342315 FOMYUCTWRLSONQ-HUUCEWRRSA-N 405.476 1.774 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC)cc1 1588433497 PSGKFVOBKKSEQS-UHFFFAOYSA-N 408.506 1.658 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCN(CCOC)C(=O)C1 1589449407 DFIJMGQYRDIEJF-UHFFFAOYSA-N 402.293 1.018 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)NCC)CC1 1594492260 WWQCCKKSBHGOJH-OAHLLOKOSA-N 403.531 1.683 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@H]21 1594627480 VNFXNURZFWGQJK-ZACQAIPSSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CC(N)=O)CC1 1595555523 BFQRXANJTNVPLT-UHFFFAOYSA-N 410.522 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@](C)(OC)CC1 1595798437 PMDANCRTMQVQNS-APWZRJJASA-N 412.556 1.778 30 10 HDEE C=CCSCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595906061 XDDJRBMLSDQVNS-VQIMIIECSA-N 407.540 1.967 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1596540821 NXQMNNPJYCRFHC-PKOBYXMFSA-N 421.505 1.448 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1608103745 FSICJNBXHGPSSF-JOCHJYFZSA-N 422.481 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2ccc(C#N)c(Cl)c2)C1 1611050740 JNVPSFOAJGVNPE-UHFFFAOYSA-N 404.854 1.773 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)C#N 1617348508 HFJUCEALCQYTDD-JKSUJKDBSA-N 412.560 1.440 30 10 HDEE COC(=O)C[C@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1617930350 BBTDCHNGFMUXDS-AOMKIAJQSA-N 406.442 1.901 30 10 HDEE CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1618918974 AJABHHCEJUEFJB-NIKGAXFTSA-N 424.571 1.833 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)cc1 1619210778 IXVXSIBOSPFQMC-RBUKOAKNSA-N 413.478 1.878 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1620162628 SWMTWTDURXBRHY-UHFFFAOYSA-N 412.475 1.802 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@](C)(C(F)(F)F)C3)CC2)o1 1620514509 DWEGQQYKDIFHKR-INIZCTEOSA-N 401.389 1.157 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@@H](c3nc4c(s3)CCCC4)C2)c(=O)nc1O 1622348029 CMVYFIKJGAAXRY-CYBMUJFWSA-N 413.503 1.952 30 10 HDEE CS(=O)(=O)c1cccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c1 1624147488 HBWKHVZIQKTVIF-UHFFFAOYSA-N 406.485 1.193 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 1624572670 FSZUXUVHRWOQRE-HXUWFJFHSA-N 405.433 1.945 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1O)[C@@H]1CCS(=O)(=O)C1 1626434953 OSQGRVLNNJTYEU-LLVKDONJSA-N 419.240 1.259 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1O)[C@H]1CCS(=O)(=O)C1 1626434954 OSQGRVLNNJTYEU-NSHDSACASA-N 419.240 1.259 30 10 HDEE C=CCn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)nn1 1630424314 DLXUDNALRGNGFM-OAHLLOKOSA-N 403.508 1.815 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2coc(/C=C\C(=O)OC(C)(C)C)c2)CC1 1634876198 HFSCCKSFMDRVGM-SREVYHEPSA-N 401.463 1.142 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)CC2)o1 1635511064 HUANZBWDTACQHA-OAHLLOKOSA-N 406.508 1.687 30 10 HDEE CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2cccnc21 1636404980 GPKJWMZEAUNQFB-GOSISDBHSA-N 418.457 1.637 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1637715352 NPAIRWYVUMKINI-MRXNPFEDSA-N 415.427 1.870 30 10 HDEE C#C[C@H]1CCCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1638856884 RGFNUVYTJSOISL-INIZCTEOSA-N 405.520 1.319 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)nc1 1639127448 SYPSXFSIJMDKAI-GOSISDBHSA-N 400.460 1.604 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1639636969 QUVMKPPHVTUIDJ-FQEVSTJZSA-N 413.499 1.138 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1639839568 BMVWTQBXSMRCIB-INIZCTEOSA-N 417.443 1.900 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1 1640218049 BTXQWDWUFRFRED-LSTHTHJFSA-N 405.458 1.566 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1641595742 DXUCZLXSZFVPFV-HNNXBMFYSA-N 414.528 1.210 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)Nc2cnc(OC)c(C#N)c2)cc1OC 1645094943 FMYPCWPDIMIWHS-UHFFFAOYSA-N 420.447 1.286 30 10 HDEE CO[C@@]1(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CCS(=O)(=O)C1 1652196990 RWTQOTVJGYKJCK-HXUWFJFHSA-N 401.488 1.899 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(C#N)cc1[N+](=O)[O-] 1655248100 XWHVADVTNBZTBA-UHFFFAOYSA-N 404.452 1.328 30 10 HDEE CCOC(=O)c1csc(N2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 1655902898 REZUMNVTYYQSMY-LIRRHRJNSA-N 407.540 1.885 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2ccc(F)cc2F)CC1 1669278775 LFGLGLFEANHGHO-INIZCTEOSA-N 400.451 1.211 30 10 HDEE Cc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1C 1672054111 CECAFOBSTTYTRR-ZWOKBUDYSA-N 416.503 1.376 30 10 HDEE C#CCN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@@H]1CCCc2ccccc21 1683664715 CCTAWITZAHQVAA-HXUWFJFHSA-N 418.563 1.286 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)n1 1685411558 JTGOPYHLKPHBFC-CABCVRRESA-N 402.480 1.331 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1689893104 UIGWQMPYCCALIZ-IXDOHACOSA-N 419.551 1.231 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689988124 JQOTVORFPUFZRY-IAGOWNOFSA-N 419.551 1.436 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1690060545 AKWFSIMDMHYURA-YLJYHZDGSA-N 424.567 1.746 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1C[C@@H]1C 1690101076 NIMWMBXEXPRGMP-JKSUJKDBSA-N 416.551 1.980 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)n1 1690102852 WJKRJAJOCQRFNJ-AWEZNQCLSA-N 422.411 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(CO)c2)CC1 1690146569 QUUBYUDNLINCKK-HXUWFJFHSA-N 423.517 1.288 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690228694 CYCYMFUPDKQITF-KBPBESRZSA-N 414.304 1.032 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)F 1690236729 QIJQQHIVEKIPSZ-GUTXKFCHSA-N 421.514 1.961 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690507793 WWQWAMJYDDFNCM-KKSFZXQISA-N 419.526 1.596 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1692729185 GKVCMWAKIMROAB-LPHOPBHVSA-N 407.522 1.860 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCS(C)(=O)=O)c1 1692979516 GZMBIWCEHFDATF-KRWDZBQOSA-N 419.507 1.247 30 10 HDEE COCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1697997420 FVEIXAVZPCFPHJ-HNNXBMFYSA-N 405.480 1.114 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564141 AONDVNSYDCWHNZ-GOSISDBHSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1705570622 PCJIGJQKDXKWDY-SFHVURJKSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1705574300 AARQVWVMFBRAJL-SFTDATJTSA-N 417.579 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@H](C)N1CCOCC1 1705599945 FLCMOLLUZGCTKX-QGZVFWFLSA-N 412.563 1.817 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1705628898 RVWZMLSLPAFLBM-HNNXBMFYSA-N 424.473 1.593 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(O)cc2)CC1 1705647348 FQXYHFMVWZJIBJ-UHFFFAOYSA-N 417.473 1.455 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705660425 VIMRZSIDDNFTND-ROUUACIJSA-N 407.584 1.695 30 10 HDEE C=C(C)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1705729804 YYILEZRXNDUPGH-MAUKXSAKSA-N 400.545 1.764 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1705836746 FAALUWPXDOVKHD-MRXNPFEDSA-N 417.535 1.886 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1705866555 TXXYLUAHQKCNDG-CQSZACIVSA-N 423.564 1.523 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)C(C)(C)C 1705885907 BPJJAJHOTTXXQF-OAHLLOKOSA-N 400.545 1.982 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705915950 MOHNIKMRVQIROI-ZACQAIPSSA-N 411.572 1.997 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccco2)N(C)C)C1 1705922116 GMEXOGOFONWYEO-ZACQAIPSSA-N 414.510 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705934302 IGHBKVGUUYUWBW-MRXNPFEDSA-N 409.556 1.641 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1705935032 DZMZIABSAQGULM-UHFFFAOYSA-N 413.544 1.356 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1706708826 IGZSVIKQAMBKQT-UHFFFAOYSA-N 424.505 1.965 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1nccs1 1712563441 XOORCZCDFAPSAL-GDBMZVCRSA-N 417.539 1.683 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1712885254 FINKWYGEQRLCBM-CVEARBPZSA-N 420.539 1.184 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722368401 RBNHPMPXCSMCCG-BZUAXINKSA-N 410.565 1.162 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1722424773 ZMSVMIZZVNWUDB-UHFFFAOYSA-N 424.549 1.504 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1722458691 QFVCMGLHFYHWCK-CYBMUJFWSA-N 416.507 1.039 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722483989 GPCQBQRIGWUHKO-CYBMUJFWSA-N 418.361 1.753 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722688801 LTBIXFBQZFIOLC-RTBURBONSA-N 422.533 1.933 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](CNC(=O)C(C)C)C2)nnc1C(C)(C)C 1722703582 CDQHCILNTDBBCX-INIZCTEOSA-N 404.559 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722726352 CQRIFCYQEBMCPR-OKZBNKHCSA-N 424.567 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C[C@H]1CCOC1)C1CC1 1722728536 RGMIQFLQPAZHCL-CVEARBPZSA-N 410.540 1.388 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)C(F)(F)F 1723953775 GPBDRUQNFPYWMD-MNOVXSKESA-N 424.449 1.206 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1740590340 GXNBNPGCEKHVQU-IAGOWNOFSA-N 411.510 1.593 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1740623652 YKUZBUNQASWBGZ-JKSUJKDBSA-N 405.524 1.212 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1ccnc1C 1740634378 DEFPRNQJZCKCRP-UHFFFAOYSA-N 412.461 1.199 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CC1(S(C)(=O)=O)CCC1 1740683028 QZPANKRKMPSYBW-UHFFFAOYSA-N 402.520 1.998 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCc2nnc3n2CCCCC3)CC1 1740696841 IBLLPRFAJDVEDZ-UHFFFAOYSA-N 410.570 1.792 30 10 HDEE C=C(Br)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1740748274 CQWKUDJJMANYAF-LRDDRELGSA-N 414.304 1.150 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740885306 DARFCJDLTPLVGT-STQMWFEESA-N 403.405 1.589 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1740959150 LQCNYDCRVSUBJT-UHFFFAOYSA-N 404.515 1.951 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)CC1 1741988508 RXKXREKYWVPUIQ-DLBZAZTESA-N 416.526 1.945 30 10 HDEE Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)n[nH]1 1742600426 CIZHRVZTLMXEAL-MRXNPFEDSA-N 405.466 1.407 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1747443457 FQPJJMGGDNILCD-SFHVURJKSA-N 403.512 1.409 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1748640695 WYHFJIPJNRTEPR-HOTGVXAUSA-N 418.567 1.456 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1Cc1nnnn1CC1CC1 1748898619 MIBSISVONRBNDL-UHFFFAOYSA-N 414.517 1.971 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCn1cncn1 1748944339 UGZXAGCUXMFHFX-UHFFFAOYSA-N 403.425 1.806 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1F 1748962528 KPELKNGUPXJMKZ-KRWDZBQOSA-N 420.510 1.648 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749020705 ZXTSHMDWIVQLIK-INIZCTEOSA-N 418.567 1.374 30 10 HDEE COc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1749068558 BIKUQWUBIYFWPF-HNAYVOBHSA-N 419.482 1.679 30 10 HDEE C=CCn1c(N2CCN(Cc3cscn3)CC2)nnc1[C@]1(OCC)CCOC1 1749645911 HNNQBMVRGIEPJO-IBGZPJMESA-N 404.540 1.895 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC2CCCCC2)CC1 1749663784 QKJYVUHQQKZAGE-UHFFFAOYSA-N 424.553 1.740 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@H](C(=O)OC)C1 1749666374 LBIGCHHOXNAXLX-AWEZNQCLSA-N 408.462 1.728 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2c(cccc2OC)C1 1749677589 DXDUOPIWIPVRNI-UHFFFAOYSA-N 424.505 1.274 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1749680180 GCWVQGHTLKWMBY-OAHLLOKOSA-N 414.514 1.039 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)C1 1749696757 DHBQTKFVSRLMSX-NQIIRXRSSA-N 416.526 1.882 30 10 HDEE CC(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1750075110 BMJUHTPROMGXOV-TWMKSMIVSA-N 409.556 1.837 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1760143213 ZEFXXARUHUHLSE-LEWJYISDSA-N 401.511 1.593 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760181310 SDIXBXWISIGPRI-FXAWDEMLSA-N 400.504 1.047 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCc2ccccc2C1 1760193089 SSINNGXJRCMSDQ-LJQANCHMSA-N 418.545 1.936 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(N)=O)c1 1760217187 SLQVBOZYLKMLOS-UHFFFAOYSA-N 401.474 1.483 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1760229471 SNTVWVQVJZVKNQ-UHFFFAOYSA-N 423.926 1.393 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCOC)CC1 1760269319 FHQYCUXZKLXWNQ-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760307611 SZKOPSDGWJXXLY-MCIONIFRSA-N 410.316 1.796 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760379079 HPYNPKNVHQUQIT-QGZVFWFLSA-N 421.977 1.369 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1760511299 WEITYSNASWXHLW-QGZVFWFLSA-N 406.494 1.848 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](COC)C1 1760556299 ZBWOSBMTLRORLE-SJORKVTESA-N 412.556 1.636 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1760803929 SRAGPSIMXIPBGJ-GJZGRUSLSA-N 411.528 1.114 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1766157541 FDGJZTOGWJXQDV-GJYPPUQNSA-N 424.546 1.497 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1770147081 YTKFYNUXHWCXPP-JOCHJYFZSA-N 424.505 1.586 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1770746966 DICGSJTZBAGLFU-SNVBAGLBSA-N 422.396 1.987 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1771050746 ZSIMVTBJVQXLLY-IBGZPJMESA-N 424.505 1.681 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCC(=O)NC(C)C 1771288133 BNESKQREVYNQQR-WMZOPIPTSA-N 404.515 1.657 30 10 HDEE COC(=O)C[C@H](CC(=O)ON1C(=O)c2ccccc2C1=O)NC(=O)OC(C)(C)C 1772788757 GFNUTTRLTRUWAH-LLVKDONJSA-N 406.391 1.587 30 10 HDEE C=CCN(C(=O)CN(C)c1nc2cc(OC)c(OC)cc2s1)[C@@H]1CCN(C)C1=O 1849909954 OKDPNQMUZJVVPS-CQSZACIVSA-N 418.519 1.995 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(CC(C)(C)C(=O)Nc3ccc(C#N)cc3)C2)c1=O 1851211082 YPZHQHDUVBBVRS-SFHVURJKSA-N 409.490 1.720 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(CCOC(=O)C2CCC2)CC1 1851253626 PXWXJMQQRSWAIQ-UHFFFAOYSA-N 400.479 1.904 30 10 HDEE N#Cc1ccc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)nc1 1851916584 RTCNJCDVYFYIJG-UHFFFAOYSA-N 402.458 1.689 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1852615255 YSEFAAJHPKNDJJ-UHFFFAOYSA-N 410.474 1.946 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(C#N)cc1 1853380363 FWZMAAHKQQJWDB-UHFFFAOYSA-N 401.444 1.661 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cn(C)nn2)c2ccc(OC)c(F)c2)CC1 1853587574 LCTZDZREJSJGDI-UHFFFAOYSA-N 423.470 1.869 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2=O)cc1 1854025611 OCUBQMMAYKJHSD-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(C[C@@H]3CCC(=O)N3C)c3ccccc32)CC1=O 1854057457 QGKBKSFIQZDPEO-CVEARBPZSA-N 410.474 1.022 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3csc(-c4ccccc4)n3)C2)CC1=O 1854202678 NCHIGTSTYFOLOZ-GOSISDBHSA-N 409.515 1.969 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)C[C@@H]3CCOC3)C2=O)CC1 1854781554 JGOQVYRSEWTGRV-PKOBYXMFSA-N 411.506 1.410 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@H](C)n3nnc4ccccc4c3=O)C2=O)CC1 1855162246 CXQSLPBMMRYQLT-QFBILLFUSA-N 409.490 1.912 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2nccc(N3CCOCC3)n2)C1 1855375366 MZTQAAHKJZOUBP-ROUUACIJSA-N 413.522 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)C1 1855837300 JDKRDELRUMWNEH-DLBZAZTESA-N 420.510 1.233 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)Cn4cccn4)C3=O)CC2)c1 1857032937 NGMJFJPCBPAOLR-SFHVURJKSA-N 408.462 1.068 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1857038055 OVQPVOOSOSLOGN-SFHVURJKSA-N 403.504 1.999 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@H]1CCN(C)C1=O 1857068441 NWZADPDVOYFHPB-IRXDYDNUSA-N 416.522 1.971 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)CN3C(=O)COc4ccccc43)C2)CC1 1857218112 WZULZHCZIRESAD-QGZVFWFLSA-N 410.474 1.413 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@H]1CCN(C)C1=O 1857269373 MHVJPESPKLBBRT-OCCSQVGLSA-N 409.437 1.065 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4C[C@H]5C[C@H]4CO5)ccc32)c1 1857373597 YYACLWOSWYUYSM-DLBZAZTESA-N 423.450 1.450 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCC(C(=O)OC)CC2)n1 1858763324 VZIDGMMBQSMXCA-UHFFFAOYSA-N 403.435 1.555 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccccc1I 1861018308 ZQFYBPLGPUHJHQ-GXFFZTMASA-N 400.216 1.169 30 10 HDEE CN1CCC(N(C)C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868784176 VWUYPVLUMRKURS-GOSISDBHSA-N 417.579 1.694 30 10 HDEE C=CCn1cc(OCC(=O)OCc2ccccc2)c(=O)cc1CN1CCN(C)CC1 1870616929 CXFHKRJCRUMKIQ-UHFFFAOYSA-N 411.502 1.904 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccco2)cc1OC 1874238157 UMPBHOUUFCGLDY-KEBDBYFISA-N 401.448 1.939 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc(I)n[nH]1 1886097545 PORJXBOGGCTCFA-QMMMGPOBSA-N 404.208 1.521 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC1 1889513690 BTSNXWZHNWLDOQ-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)CC1 1890074159 OTJXROIKMUECPQ-UHFFFAOYSA-N 413.518 1.216 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC3(CNC(=O)O3)C2)[C@H]1c1ccc(C#N)cc1 1890716529 HWNSEWZCBLSKJB-SJORKVTESA-N 414.487 1.273 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCS(=O)(=O)CC2)[C@H]1c1ccc(C#N)cc1 1892067094 YUECNPYNTURCMB-MSOLQXFVSA-N 421.544 1.209 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1985830936 ZYQDTNBNTSBUNP-CABCVRRESA-N 408.304 1.649 30 10 HDEE C#CCN(CC(=O)Nc1nc(O)nc(O)c1Br)C(=O)OC(C)(C)C 2011206570 REYIPRAJALPRMU-UHFFFAOYSA-N 401.217 1.459 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2118168638 TUVATIDBYKFHKH-ROUUACIJSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC1(F)F 2174787706 XCSPEYBFDXTFOC-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCC2)[C@H](CO)CC1 2174789138 MWADEOGRYQFOAS-GJZGRUSLSA-N 401.529 1.608 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(F)c1F 2231334674 FDLNDHWRTVRCNY-UHFFFAOYSA-N 419.409 1.313 30 10 HDEE C[C@@H](CN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243387496 VFNDKYGCACRCQX-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243419083 READLDLPZFQRGV-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247278664 KPCUNMCIJMVHCF-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826726 YVOVOAUPNLGSNO-HXUWFJFHSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247827273 GSGGRJFUEBKFCN-CYBMUJFWSA-N 418.303 1.614 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2247830530 ZYTNBLKWXLDRBY-GFCCVEGCSA-N 422.291 1.380 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC1 2250004918 QYRFWEPZHXQUDL-UHFFFAOYSA-N 421.347 1.680 30 10 HDEE Cn1ncc(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2255829469 PMUGIEVMWROWNU-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258161577 DYFABYVADUGIMQ-GOEBONIOSA-N 414.480 1.219 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)NC(=O)OCc1ccccc1 2270515931 FBISQRAINBEIDL-QGZVFWFLSA-N 417.443 1.768 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270530657 VZBUJVJAOARMTQ-SFHVURJKSA-N 424.519 1.766 30 10 HDEE C=CCCC1(C(=O)NCC2(S(N)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2280943703 PQTBBCAUPWCPSA-UHFFFAOYSA-N 401.529 1.517 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(C4CNC4)C3)cc2Cl)OC1(C)C 2282311643 KVSHDGLVDTVEPK-UHFFFAOYSA-N 418.777 1.541 30 10 HDEE CCN([C@H]1CCSC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329948 SVPXXBIKTHISEP-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@H](CCN)C2)OC1(C)C 2282344985 FGOBENWNTSKMQJ-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE C[C@@H]1C[C@@H](O)[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282348474 LTKPCIDJXVMCDI-JHJVBQTASA-N 401.359 1.827 30 10 HDEE C[C@@H]1CNC[C@@H]1CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282413174 AAERLBSKIQAWOT-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282492761 SOMYGUVJNBKVAJ-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](C)(O)[C@H](O)C3)sc2Cl)OC1(C)C 2282615422 PBXNLYLCARZCCH-SJKOYZFVSA-N 401.721 1.659 30 10 HDEE CON1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282831834 FGYJMJDGRUAPJP-UHFFFAOYSA-N 422.765 1.568 30 10 HDEE CCS[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282834349 SNPAGUNKMWRIFE-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](CCO)C3)s2)OC1(C)C 2282849680 FNWFHUOMCHTONX-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)CCNCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867379 XZOHQPDFLFDJKI-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE Cc1nc(O)sc1S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284065352 GLOATISMBZZRIJ-UHFFFAOYSA-N 417.343 1.391 30 10 HDEE CC[C@H](C(=O)O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284396933 ZPWAVPPUKWGATL-GFCCVEGCSA-N 403.331 1.672 30 10 HDEE CCCCN(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284400605 XFCWWTJCOZTBKX-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1C(=O)O 2284408014 RLDSJTJSJWGZJD-CMPLNLGQSA-N 401.315 1.389 30 10 HDEE O=C(N[C@H](CCS)C(=O)O)c1ccc(I)c([N+](=O)[O-])c1 2296129493 SDRRUCVQISPBJT-MRVPVSSYSA-N 410.189 1.702 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccnc1 2327876581 XMILJRZUJUBKOY-CQSZACIVSA-N 416.507 1.935 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2329054609 HQORYFDOYQATHU-OAHLLOKOSA-N 417.491 1.667 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cc(F)c(F)cc1C#CCO 2351715174 RRGBZFDPJJHCOG-UHFFFAOYSA-N 420.393 1.347 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@H]3OCC[C@H]23)OC1(C)C 2359281769 AUJVLFAKHAUELR-MDZLAQPJSA-N 400.331 1.039 30 10 HDEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H](C)CS(C)(=O)=O 2362564775 VODLRBWBDLSGKH-LLVKDONJSA-N 402.347 1.338 30 10 HDEE COC[C@@]1([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365189739 YAGAVDCDVCAGJP-HNAYVOBHSA-N 403.541 1.980 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365198833 JDASXSKYQGHBST-AVGNSLFASA-N 410.483 1.146 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365214096 ZQOUQEFUGHRSCF-OAGGEKHMSA-N 404.573 1.703 30 10 HDEE CN(CC[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C(=O)OC(C)(C)C 2365247203 YOJHDQQMCGJZSC-SFHVURJKSA-N 405.513 1.930 30 10 HDEE Cn1nccc1C#C[C@H](N)[C@@H](O)c1c(Br)cncc1Br 2367768888 YQQBUXRKYPXBMT-WCQYABFASA-N 400.074 1.753 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2367813235 BEBYIPBYSKORNR-KFWWJZLASA-N 400.541 1.161 30 10 HDEE COC(=O)CSc1n[nH]c(N/N=C/c2ccc(OC)c(OCn3cccn3)c2)n1 20424498 ROMMAPHCHJVGBF-GIJQJNRQSA-N 417.451 1.757 30 10 HDEE CCN(CC)C(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc21 59167599 DPJQHSRXMZLJIX-VZCXRCSSSA-N 414.487 1.584 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 96504443 LPNOIYNXMOIVHT-UHFFFAOYSA-N 415.427 1.977 30 10 HDEE C=C(C)CN(CC)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 104557855 GSKCGQBXGQSTEO-UHFFFAOYSA-N 424.519 1.597 30 10 HDEE C#CCN(C(=O)c1csc(I)c1)[C@@H]1CCS(=O)(=O)C1 113426171 AAJABSUUHUYCAW-SNVBAGLBSA-N 409.270 1.615 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCN(C)[C@@H]1c1cccs1 410133073 ZQUJWQZEHQQZLW-WBVHZDCISA-N 400.570 1.827 30 10 HDEE CCC(CC)(CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)OC 426005826 ZBBUPLGLPWGLDN-UHFFFAOYSA-N 408.524 1.779 30 10 HDEE COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(C[C@@H](O)COc2ccc(C#N)cc2)C1=O 433623708 WJCCQHIRPHAYAR-ZHRRBRCNSA-N 407.426 1.700 30 10 HDEE C[C@@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 437868477 PVZYQYQULXZOTP-CYBMUJFWSA-N 403.508 2.502 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(C(=O)OC)s1 443242963 DZVAGENBBDZZGN-UHFFFAOYSA-N 424.456 1.550 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 460928037 AGULDICBHXIGKY-KFWWJZLASA-N 415.585 1.517 30 10 HDEE C[C@H]1[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(=O)N1Cc1ccccc1 466843914 GRSOJTZNBZTXIM-PXNSSMCTSA-N 418.501 1.974 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@@](=O)C[C@@H]3c3cnn(C)c3)cc2C1=O 467594041 LAXFPPYZTWTPND-CQGGRAHPSA-N 412.471 1.148 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 481033492 KCFCBRCSNRBEIY-HNNXBMFYSA-N 424.486 1.993 30 10 HDEE CCOC(=O)C1(COC)CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)CC1 481508725 JAGJVGDPKNJOBI-UHFFFAOYSA-N 402.419 1.817 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCC#N)CC(F)(F)F)C1 482652495 CKVPYZQNQYTYAH-CYBMUJFWSA-N 422.429 1.997 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 505948491 WGCCLWBMHNJFIT-RNODOKPDSA-N 406.435 1.533 30 10 HDEE Cn1c(-c2ccccc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507870107 KDSJALKJOAKJIX-UHFFFAOYSA-N 408.487 1.865 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n[nH]1 513940127 MLJKZEGDMQHHKW-HNNXBMFYSA-N 402.480 1.591 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 514645656 LSVBUTXAQVGSRR-MRXNPFEDSA-N 413.474 1.010 30 10 HDEE C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N1CCN(c2ncccc2C#N)CC1 522278933 DCYHVYMBJSXUNG-OAHLLOKOSA-N 413.503 1.506 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccccc2)N(CC)CC)CC1 522308936 NKGCOTYOYOVVOA-HXUWFJFHSA-N 401.555 1.699 30 10 HDEE CC(C)CN1C[C@@H](C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1=O 522867223 JZUQDYZFLJLUNW-RDJZCZTQSA-N 400.504 1.903 30 10 HDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@H](C)C(=O)N(C)CCC#N)CC1 532922575 BLWPGPDJXFAGQG-CRAIPNDOSA-N 406.914 1.932 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 542702638 LQHJQRXPSHUBTC-BZUAXINKSA-N 416.565 1.569 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CCCC1 544745220 ANCMNOCVTORLRL-UHFFFAOYSA-N 404.536 1.334 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[S@](=O)C(CC)(CC)C1 549698585 IRVPCQRJRDZSLI-PTFIGZPYSA-N 417.601 1.592 30 10 HDEE CN1C[C@@H](Nc2cc(N[C@H]3CCC(=O)N(C)C3)c([N+](=O)[O-])cc2C#N)CCC1=O 553080684 VVJBCOTZHUKGKN-KBPBESRZSA-N 400.439 1.532 30 10 HDEE CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@H]1CCN(S(C)(=O)=O)C1 557437852 BDYUHOWLXTUALV-INIZCTEOSA-N 400.460 1.851 30 10 HDEE N#Cc1ccc(OC[C@H](O)CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 561950439 IOCINFNEMKVJLT-GUDVDZBRSA-N 407.470 1.807 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)C[C@H](Cc3ccc(F)cc3)C2=O)nc1 583718122 WYXUVTVBCIQKPZ-HNNXBMFYSA-N 401.419 1.484 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@@H](C)O)cc1 584867898 SDCIYHVCPVBDJL-XIKOKIGWSA-N 423.441 1.489 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC1 727375959 XKVNWLUZVJFTIH-UHFFFAOYSA-N 424.545 1.938 30 10 HDEE C#CCN(C(=O)c1ccc(OCc2cscn2)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 729332292 MHEJIXQLENQGQM-MRXNPFEDSA-N 420.512 1.993 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C(=O)OC)c2cccc(C#N)c2)c1 751633671 FYIYGSMFEDGOOV-MRXNPFEDSA-N 406.391 1.677 30 10 HDEE CC(C)Cc1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 755910069 KNIORTDVPFYWRY-UHFFFAOYSA-N 422.554 1.467 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3CCOC[C@H]3C2)cc1OC 756246101 GHOISLSSEJWETR-GOSISDBHSA-N 405.495 1.768 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCCO2)c1=O 758066782 GCZJLBFJWBFAHF-QGZVFWFLSA-N 410.455 1.722 30 10 HDEE C#CCC(CC#C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 764246861 MVHYMKZBPGGUBO-UHFFFAOYSA-N 415.497 1.969 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)c2cnn3cc(Br)cnc23)c1 769893926 CGMKTFOQOPUNQR-UHFFFAOYSA-N 414.219 1.837 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CC2 772460026 YLDDLPSWVBQSCU-OAHLLOKOSA-N 415.519 1.566 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN(CC(F)(F)F)C2)cc1 776628694 UZDQFVYDQMNOOL-JCMHNJIXSA-N 418.441 1.932 30 10 HDEE Cc1nn(-c2ccncc2)cc1C=NNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 783837822 PTWDGZXMUAGHAO-UHFFFAOYSA-N 400.420 1.937 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](CC)O[C@]3(CCOC3)C2)ccc1F 794305688 XNNVWMKVXVDEIZ-DNVCBOLYSA-N 412.483 1.700 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 798433126 WQCGDSTVPHAWGG-JSGCOSHPSA-N 400.294 1.865 30 10 HDEE COCCn1c(C(=O)NC(C)C)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802448563 IDRJPCYBXNLZQM-UHFFFAOYSA-N 412.494 1.982 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 807574805 XXPGHADNYXCUNA-ZIAGYGMSSA-N 423.457 1.152 30 10 HDEE Cc1cccc(-c2noc(COC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n2)c1 915366744 FZPDVNSNVNFTBU-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](/C=C\c3ccc([N+](=O)[O-])o3)N2N1 1082989785 FTPSXGYHAMNYSW-SOIVGHGOSA-N 409.427 1.591 30 10 HDEE C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1116189120 CASGNWPRWBXNBV-JUVLVCGOSA-N 404.492 1.653 30 10 HDEE CC(C)(NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1cccc(C#N)c1 1130877111 VGAWFIVURDFZQI-HNNXBMFYSA-N 402.476 1.075 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1=O 1132264482 SVYZKAWRIXMXEN-UHFFFAOYSA-N 408.458 1.996 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H](C)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 1134861979 LTGIGGBAYLQECL-ILFOXFEOSA-N 402.472 1.777 30 10 HDEE CCNC(=O)COc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1136203573 IBFVCXMISWPZGN-UHFFFAOYSA-N 419.434 1.890 30 10 HDEE Cc1ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1137805681 FTCGBWKMICJKPK-WAYWQWQTSA-N 422.507 1.608 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@H](C)C2)cc1 1142176770 MZHDGZSPBOHRNZ-GOSISDBHSA-N 411.527 1.945 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1144923724 UVBUKKTYGXSWKL-WMLDXEAASA-N 409.464 1.029 30 10 HDEE C=C(C)C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1153516529 KHFCSWWQNXDLCF-GJZGRUSLSA-N 411.499 1.516 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccc(S(=O)(=O)N(C)C)c(Br)c2)C1 1154866638 NCYYJFZDCNFGIK-UHFFFAOYSA-N 403.298 1.462 30 10 HDEE C[C@H](CC(=O)NC(C)(C)CCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1167523680 OBTSXYNAFGVCIL-OAHLLOKOSA-N 422.551 1.121 30 10 HDEE C#CCC1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 1175669145 LQQPSIJXRALAQB-ROUUACIJSA-N 417.525 1.906 30 10 HDEE N#C[C@@]12CN(C(=O)CCCOc3ccc4c(c3)NC(=O)CC4)C[C@H]1CS(=O)(=O)C2 1178757866 WZWLNDRKTSBMTB-YWZLYKJASA-N 417.487 1.127 30 10 HDEE C[C@H]1[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)CCS1(=O)=O 1209890540 CDKMWYSVJFYDJR-ZJUUUORDSA-N 407.311 1.517 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C(N)=O)C1 1211600405 GTBUBTQKZWDOPS-UFBFGSQYSA-N 404.261 1.734 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286333846 CBZHZUWWQNWLTR-PGRDOPGGSA-N 415.538 1.933 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286347888 RHCZQKUBAAOISI-KRWDZBQOSA-N 410.453 1.635 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286349873 PYJKDSVMWPJCSI-SJORKVTESA-N 422.551 1.368 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1286434408 ZCNGTKBAAYFZFV-FDDCHVKYSA-N 419.485 1.732 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1286451276 XAMDVCNZTUIYRC-SFHVURJKSA-N 408.506 1.909 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](F)COC)CC1 1286484105 HUEAYQNOODQXGN-QGZVFWFLSA-N 417.485 1.605 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCCC)C1CC1 1286736224 AJOALAIUANYDCF-UHFFFAOYSA-N 421.505 1.873 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Cl)c(Br)cc2F)CC1 1297517806 VIXQXJBQOKEVKD-UHFFFAOYSA-N 416.678 1.749 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1300293632 RDOAKYNYIYIGOG-DLBZAZTESA-N 411.506 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300323136 WVCVFQATBHNCGR-UZLBHIALSA-N 418.519 1.173 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300421564 KRDYNBJNVPBARW-HNNXBMFYSA-N 414.535 1.775 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCC(=O)N(C)C 1300458548 JFSGTYIJGNGEBS-UHFFFAOYSA-N 418.542 1.940 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCN1CCOCC1 1300522698 MIHAOMIRQVKRKY-UHFFFAOYSA-N 423.517 1.757 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCC(=O)NC)CC1 1300695978 QFYUPHYIFOZGNM-UHFFFAOYSA-N 418.505 1.022 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1301118822 KDWSVHJSONJRPO-LJQANCHMSA-N 405.524 1.236 30 10 HDEE CCCCOc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OCC 1301210859 GBGDBJNINCVMHS-UHFFFAOYSA-N 400.435 1.828 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCc2ccccc21 1301412643 GRBPWGDUFGPFBR-JOCHJYFZSA-N 413.522 1.889 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1301514396 JLBSTOGUTQCOFE-INIZCTEOSA-N 413.478 1.467 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC 1302429653 RSUMMFMBPAOLIZ-CYBMUJFWSA-N 409.291 1.896 30 10 HDEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 1308034441 PVNBYDSXVFQUAV-HNNXBMFYSA-N 423.535 1.123 30 10 HDEE C#C[C@H](NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1)[C@H]1CCCO1 1312541643 LLJXWNLOIINWSI-RYQLBKOJSA-N 419.522 1.531 30 10 HDEE CC[C@H](C)N[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccco1 1312679891 INKDTZOYJBTXPH-WFASDCNBSA-N 400.439 1.109 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1315028195 AMNGQESGTSWOCL-OAQYLSRUSA-N 412.494 1.585 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CSCCS1 1316097420 BAZXSVFLZPDMIB-AWEZNQCLSA-N 412.585 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358887457 XQLRCOOPIVCBRS-XYJFISCASA-N 423.521 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1358891023 YMGIHLHKVLMRNW-YOEHRIQHSA-N 415.519 1.645 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC(C)C 1358913399 NHAIFCQTSRZFIC-QGZVFWFLSA-N 411.572 1.897 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1358938420 ANYFTLFKNZBYCB-OAHLLOKOSA-N 414.535 1.990 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)CCOC 1358946150 KWAYOTWGWIKIMG-UHFFFAOYSA-N 423.521 1.230 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1359035973 JUICYPJBRPSSOE-SFTDATJTSA-N 414.598 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3F)n2CC2(O)CC2)CC1 1359046326 NMRCTYQBOCIMCE-UHFFFAOYSA-N 411.481 1.499 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(C)(=O)=O 1359064877 BVXUPQWUSGNDCV-RTBURBONSA-N 410.540 1.355 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1359327034 PXDXRZJXAHGRQY-UHFFFAOYSA-N 420.539 1.245 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1360171836 CIUQGFWFBDDQTL-NRFANRHFSA-N 412.494 1.730 30 10 HDEE Cc1oc(C#N)cc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1439190791 NYPPUEJMPFOZBV-CQSZACIVSA-N 411.480 1.614 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(O)c3)CC2)cc1 1441008275 GURXTNYGWXXRSC-VQTJNVASSA-N 411.483 1.900 30 10 HDEE N#Cc1c(CCCNC(=O)C2(N3CCOCC3)CC2)nn(-c2ccc(F)cc2)c1N 1441247776 UVDPGBNDCPHZSG-UHFFFAOYSA-N 412.469 1.379 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)c1 1441886780 PJCSQRINUUHBRJ-KSFYIVLOSA-N 413.474 1.749 30 10 HDEE C#CCN1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 1444335819 CKOSHWUPHLQPIS-UHFFFAOYSA-N 413.215 1.981 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CC2)cc1 1454257839 IFRZSBQQBLOTAP-UHFFFAOYSA-N 422.445 1.614 30 10 HDEE CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457199839 LPZOJGCUENICCY-OAHLLOKOSA-N 419.482 1.533 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](NC2CC2)C(F)(F)F)c1 1458034746 DWIUZUFZSFHOAC-OAHLLOKOSA-N 403.426 1.401 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1472162944 SADPDXVCCNJHNF-TWPTVVAISA-N 424.457 1.467 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 1475437219 MGIOFMXDACGWQL-SFHVURJKSA-N 407.536 1.478 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2C)CC1 1476240645 OUCJGDQNCYWKLH-UHFFFAOYSA-N 404.414 1.631 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1503476264 HFXIUMZIMGVUCL-UHFFFAOYSA-N 405.466 1.085 30 10 HDEE C#CCCCn1c(N2CCN(Cc3nc(COC)no3)CC2)nnc1C(C)(C)C 1507599417 OWBMJNYUYPFIQK-UHFFFAOYSA-N 401.515 1.841 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccn(Cc2ccccc2)n1 1507620474 GKORGIKGJWWZTC-UHFFFAOYSA-N 403.490 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1 1507647201 NFJNMWIMDJUCNJ-UHFFFAOYSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCn1cc(CO)nn1 1507667200 JXYFAMRSRYKUAI-UHFFFAOYSA-N 404.478 1.286 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507752421 ZUMLTBSQLGABEC-HZPDHXFCSA-N 418.523 1.808 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507972636 YQOCLVZTXIAJOM-HXUWFJFHSA-N 400.483 1.954 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1508007141 STUCDLZYKAURCE-UHFFFAOYSA-N 406.537 1.977 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)O 1508040174 UCVQURYPYYXHAC-UHFFFAOYSA-N 415.542 1.862 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCOC(C)(C)[C@H]1C 1508089900 ZYWDPBRIBVVIGF-CYBMUJFWSA-N 416.482 1.312 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1508093095 AOHSSWGRLHKBCQ-UHFFFAOYSA-N 410.522 1.470 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508122403 ILROTDLFXWDXEP-OKZBNKHCSA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 1508134366 DDSKNHWQXQXUIL-KRWDZBQOSA-N 417.535 1.677 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1509952238 IQBHNBJOPWPUMF-HOTGVXAUSA-N 409.498 1.818 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCSCC2)CCOC1 1516127470 ASVUEUDOVFXEIA-APWZRJJASA-N 408.572 1.575 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1519280463 WHHHQLPPYCUCIQ-IFXJQAMLSA-N 420.445 1.353 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)ccc1F 1524671220 CFZDRSMKFRBGLS-UHFFFAOYSA-N 414.418 1.761 30 10 HDEE N#Cc1cccc(OCC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)c1 1525482211 FDGPKKPQFQFLAF-UHFFFAOYSA-N 406.486 1.951 30 10 HDEE CNC(=O)[C@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Cc1ccc(C(F)(F)F)cc1 1530751158 JDJKDNZHWMPTJM-AAEUAGOBSA-N 408.384 1.451 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)c3cccc(CN4C(=O)CNC4=O)c3)n2)cc1 1533174854 UHMCTSHVOMEHLO-UHFFFAOYSA-N 415.413 1.502 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(NS(C)(=O)=O)nc2)cc1 1534002599 IVFMNSDITZKBSW-UHFFFAOYSA-N 424.504 1.512 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)C1CCCCC1 1537005426 HLIAUDFWQYGGFR-YXJHDRRASA-N 416.565 1.155 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1539013106 HZBONYIBIKSUSY-HZPDHXFCSA-N 407.540 1.041 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CC1(N2CCOCC2)CC(OCC)C1 1539031851 QOKJGFNXHAFWHK-XPQZIERPSA-N 405.543 1.542 30 10 HDEE C#CCCCn1c(N2CCO[C@H](COC(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539141516 VHFZBXRQKDTXTC-RXVVDRJESA-N 406.527 1.974 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539219925 OOYKWLCWDAKISB-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539222142 UADVULZZYAJVSF-KRWDZBQOSA-N 406.552 1.868 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCCO1 1539496913 JBFRYANFJWKKGQ-GJZGRUSLSA-N 415.585 1.260 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1540033493 JWRZMGCHSQZIGT-SFHVURJKSA-N 416.570 1.881 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1540429359 OZWNYQZFUSXAMJ-CVEARBPZSA-N 410.492 1.128 30 10 HDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CC[C@H](C(N)=O)C1 1540857507 BUCCGNZQNIXDLK-HNNXBMFYSA-N 404.515 1.890 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1540873741 IKRKJLBNFPGZLB-OAHLLOKOSA-N 418.542 1.978 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1541111517 MTLUOOGKZWZYSM-UFOSLELVSA-N 406.450 1.462 30 10 HDEE CCCCN(C)C(=O)C1CCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)CC1 1542126934 XLEQJNKJCAUEML-UHFFFAOYSA-N 421.498 1.191 30 10 HDEE CC(C)(CO)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1546338781 JNVKTHLUMIVUTM-UHFFFAOYSA-N 421.339 1.672 30 10 HDEE CCN(CC)CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1547495160 FWLOJHINGOIWDY-NQIIRXRSSA-N 420.558 1.779 30 10 HDEE CN(C)CCOCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1552877372 OGXLKSMDAWULHP-IBGZPJMESA-N 423.521 1.588 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2nn[nH]n2)cc1 1556270119 JXXHZWVSRVJEKF-CQSZACIVSA-N 406.493 1.207 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(CN3CCOCC3)C2)C1 1556761210 RILKXEQFZLHPMT-UHFFFAOYSA-N 419.323 1.548 30 10 HDEE C[C@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(C(=O)c2ccccc2)c1 1557599832 FDDKSNJCKVNKFS-HNNXBMFYSA-N 416.437 1.971 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3cncc(C#N)c3)c2)C[C@H](C)O1 1558449488 GSDLXVNAZBCLLL-GJZGRUSLSA-N 414.487 1.681 30 10 HDEE COC(=O)[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCO2 1559822849 RXXTZQNOAPEIJD-FQEVSTJZSA-N 404.422 1.725 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)Cc2nnc(N)s2)CC1 1565661608 IBOAPMPJXKRVDQ-CYBMUJFWSA-N 421.324 1.834 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1565815906 WUHHXWWJMPXJAG-QXSJWSMHSA-N 411.424 1.140 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CCn3cncn3)CC2)CC1 1565988576 GQXOAJYBYIBXCO-UHFFFAOYSA-N 416.526 1.073 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1567328149 NTTVFDXRFRTZGY-KGLIPLIRSA-N 405.455 1.145 30 10 HDEE COC1([C@@H](C)NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1584140432 UKDVLJXLBJXAGR-RHSMWYFYSA-N 414.462 1.464 30 10 HDEE Cn1cnn(CC(=O)Oc2c(Br)cc(C#N)cc2Br)c1=O 1584746931 ZDYULOMYSSTKMS-UHFFFAOYSA-N 416.029 1.584 30 10 HDEE N#Cc1c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)[nH]c2ccccc12 1585990325 HZTIJAGUFMBGET-UHFFFAOYSA-N 409.471 1.649 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1587852084 POIVLBYBAJQAFG-AEFFLSMTSA-N 400.527 1.332 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCO[C@H]1CCOC1 1588154459 CTZOJBLGVILGQQ-FQEVSTJZSA-N 418.501 1.785 30 10 HDEE CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1CCN(C(=O)CC#N)CC1 1588260887 AVSFVKHSQNJJAL-UHFFFAOYSA-N 400.479 1.952 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCN1CCOC1=O 1588604391 IPYWYMFJUORROW-UHFFFAOYSA-N 418.885 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1588659121 DCXDBZJIZOYJCT-KRWDZBQOSA-N 417.535 1.175 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCC1 1589149923 AXXAVPWONIAOEZ-SQGPQFPESA-N 422.599 1.612 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnn(C)n1 1589652698 ZFPFXWLVFKXKCR-UHFFFAOYSA-N 406.454 1.568 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cnn(C)c2)CC1 1594820246 YAECMBGXAOITEU-UHFFFAOYSA-N 422.537 1.917 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCOC2(CCOCC2)C1 1595501616 ZSTBCINGWVQNQC-UHFFFAOYSA-N 401.467 1.535 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)CC1 1595529640 BQTASMMSGOMCPE-UHFFFAOYSA-N 421.509 1.011 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1595593348 BJVYENJYZOTJJR-QGZVFWFLSA-N 403.458 1.834 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1CN1CC[C@H](O)C1)C(=O)OC(C)(C)C 1611468742 TWSRYXRVBRGSOA-IBGZPJMESA-N 401.507 1.740 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1614185775 AVZQRTOIKRUYAU-SJTPKYKMSA-N 414.510 1.935 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@H](CC#N)C(F)(F)F)C1=O 1616998164 MTFSDXPEJLWLDC-DYVFJYSZSA-N 412.368 1.731 30 10 HDEE CCS(=O)(=O)CCn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1617327382 CATSUGZFLAJBAT-GOSISDBHSA-N 417.535 1.617 30 10 HDEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1618285253 YCDJSKHHJRKDQV-GOSISDBHSA-N 415.542 1.394 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1(C)C 1619533338 AWRWLLVGASHVSR-KRWDZBQOSA-N 412.494 1.678 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1620435331 UZXPMNGQBULXLH-VBKZILBWSA-N 420.897 1.488 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 1625108781 VCGOZIGPTAQMGT-PKOBYXMFSA-N 401.488 1.867 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3sccc3C#N)CC2)C[C@H](C)O1 1626073812 GMGFTGLFYIHPHX-STQMWFEESA-N 413.525 1.123 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1627264845 IRELSORCKOPRMG-BQGHQXDTSA-N 404.467 1.322 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NC3(C#N)CCCC3)CS(=O)(=O)[C@@H]2C1 1627351915 PUYWBKJYDJFYTF-RBSFLKMASA-N 411.524 1.609 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1628433098 BXNISRVJTWFFTM-UHFFFAOYSA-N 416.524 1.970 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)C1CCOCC1 1628948835 GXSBEBXHIIFXRU-LJQANCHMSA-N 407.536 1.742 30 10 HDEE N#Cc1cn(CCC(=O)NCCCNc2ccc(C(F)(F)F)cn2)c(=O)nc1O 1630036799 RCQRLRWWIPPTMM-UHFFFAOYSA-N 410.356 1.243 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)c1ccccc1 1630914770 UTUFAUGYDWCSGZ-ROUUACIJSA-N 400.504 1.918 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)ccc21 1631331388 XKPLOFFCKRLIBU-GOSISDBHSA-N 417.469 1.932 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1632333386 JXQXUDBOJOKFLR-UHFFFAOYSA-N 412.830 1.554 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)CC1 1634876602 WNBNLWGYOHYTER-BHIYHBOVSA-N 416.319 1.228 30 10 HDEE N#C[C@]12CN(C(=O)NCc3c(F)cccc3N3CCCC3)C[C@H]1CS(=O)(=O)C2 1635167456 NDGYQJWYPFSVFV-IFXJQAMLSA-N 406.483 1.506 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1635508405 OIOHCUIBLPANOB-ZIAGYGMSSA-N 419.530 1.734 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2CC[C@@H]2c2ccc(Cl)cc2F)CC1 1636480044 JSXFJRGLUJTVHJ-ZBFHGGJFSA-N 413.902 1.585 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)Cc3csc([C@H]4CCS(=O)(=O)C4)n3)C2)cc1 1638196923 LVIWEIPZWZWLKR-AWEZNQCLSA-N 417.512 1.749 30 10 HDEE COC(=O)[C@]1(NC(=O)c2cccc(C#CCO)c2)CCCN(Cc2ccccc2)C1 1639436096 HOLPSLRFWDVBRF-DEOSSOPVSA-N 406.482 1.968 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3Cc4cccc(C#N)c4C3)cc2)[nH]1 1640540250 BMTRVQFFZJHUHI-UHFFFAOYSA-N 402.410 1.909 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1641288217 IYWBKALZCKOXIW-WMLDXEAASA-N 410.923 1.745 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C 1641314775 KYKSYVLPIXASOR-UHFFFAOYSA-N 421.910 1.558 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)CCCN1C(=O)OC(C)(C)C 1641797820 QFHNZHGBBYXHKK-AVRDEDQJSA-N 405.539 1.837 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc4n(n3)CCCO4)C2=O)cc1 1641836179 XLIWQPAAKUSDKG-INIZCTEOSA-N 408.418 1.059 30 10 HDEE COC(=O)c1ccc(N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)c(C#N)n1 1642976797 IFLIPNKNTNQNPU-SFHVURJKSA-N 401.444 1.721 30 10 HDEE CN(C)CCC[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 1643980431 IPRFTDXPCRBNNT-OALUTQOASA-N 419.595 1.500 30 10 HDEE CONC(=O)C1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1644121715 HXKREYRBLXTKJW-TZQQIIETSA-N 420.510 1.689 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cn1 1644134498 AKJWXFPXTYKBEG-UHFFFAOYSA-N 423.477 1.730 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)C1 1645010335 VPLHTDMEYHRUHX-RYUDHWBXSA-N 407.418 1.388 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 1648126444 KTLGHNGOADJJFA-CYBMUJFWSA-N 403.298 1.272 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccc4c(c3)B(O)OCC4)ccc2c1=O 1648279015 PIKPASFWDDFIJU-UHFFFAOYSA-N 407.260 1.384 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1648619428 KHRGMYMUWGHKQB-IFXJQAMLSA-N 414.487 1.992 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1649543667 RHWCRFMGLGCRIL-JOCHJYFZSA-N 421.505 1.305 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(O)CCCCc1ccccc1 1651226128 LWTZTCYHLHFZLE-OAHLLOKOSA-N 408.524 1.944 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@H](N3CCOCC3)C2)c1 1655408312 AEKGCVVCWRCQIU-HNNXBMFYSA-N 414.325 1.806 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 1660547121 ZQLLXFGWSXMOAQ-MRXNPFEDSA-N 403.527 1.664 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C1CC1)[C@@]1(CO)CCCO1 1663558122 CWDSQPYYEUMOEN-HOTGVXAUSA-N 415.309 1.919 30 10 HDEE CS(=O)(=O)CCn1cccc(NC(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1=O 1668460737 GMKOKHGFHFVZSW-KRWDZBQOSA-N 414.487 1.964 30 10 HDEE CN1C(=O)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2ccccc21 1671495314 QHSXHVWXLVLEJR-CVEARBPZSA-N 413.478 1.934 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(Oc2ccnc(C(=O)NC)c2)c1 1672431143 SPRNFSAAVHDYFU-UHFFFAOYSA-N 418.475 1.956 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1 1681803955 DAPVSQZPVYKLMP-HXUWFJFHSA-N 413.499 1.881 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCCS(=O)(=O)C3CCOCC3)CCO2)cc1 1682691039 UALYGHAENJEHSS-GOSISDBHSA-N 407.492 1.235 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCCS(=O)(=O)C3CCOCC3)CCO2)cc1 1682691040 UALYGHAENJEHSS-SFHVURJKSA-N 407.492 1.235 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccnc(N3CCSCC3)c2)CC1 1683109280 TXORINFTZHAVRO-UHFFFAOYSA-N 401.536 1.306 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(Cc3nc(-c4ccc(C)cc4)no3)CC2)nn1 1683315372 OXFMOONZZVECTJ-UHFFFAOYSA-N 422.493 1.850 30 10 HDEE C#CC[C@@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1 1685763984 NKRDNMCALYSXPA-HXUWFJFHSA-N 406.486 1.825 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1689825797 CXKDMIAUNNPXPR-GXTWGEPZSA-N 408.528 1.643 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1689925817 BJVZMPNAXBZJRT-IBGZPJMESA-N 408.506 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1690021442 VOJRAGGROXKXFG-UHFFFAOYSA-N 409.465 1.363 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCSC)CC1 1690113910 XRFAVRAPXWDAAR-HXUWFJFHSA-N 407.584 1.827 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1690462744 NYCHOBWJDXQCIK-MRXNPFEDSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1690672517 VDSUIAXHHHDYOL-ZDUSSCGKSA-N 419.432 1.449 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H]2C[C@H]1CO2 1690719019 FQSLYZZIWSLBGR-GJZGRUSLSA-N 423.926 1.962 30 10 HDEE CC(=O)NC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690919910 CSQLWLUUVAFAKO-HTXNQAPBSA-N 415.498 1.033 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1692847701 CIDVKJCSWFQYNS-ZDUSSCGKSA-N 417.482 1.592 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCS(=O)(=O)C2)cn1 1696850506 DGFFGRNGTKBOLW-HNNXBMFYSA-N 403.512 1.243 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)cc1 1697361106 DMMASYMYNYAEQW-SFHVURJKSA-N 422.486 1.335 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1697775501 LWQRYLZYAMRUJQ-ROUUACIJSA-N 400.458 1.322 30 10 HDEE COCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1697999660 FVBCNRXAJZWTFL-QGZVFWFLSA-N 412.498 1.217 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCOC2)CCO1 1698492175 CCELGDHVZPFKQR-HUUCEWRRSA-N 416.507 1.425 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)CC1 1698493924 CEZSQYQIDNVOJV-UHFFFAOYSA-N 423.521 1.643 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705490827 RKVNKELEIFBKAI-HOTGVXAUSA-N 402.524 1.388 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705563842 GQWUEROHMFWNLE-JKSUJKDBSA-N 403.508 1.249 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1705575948 BHTALBSMIWBDQS-UHFFFAOYSA-N 412.404 1.275 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1705580653 MIKHVHDTQMZGPG-SFHVURJKSA-N 412.538 1.191 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cccs1 1705628390 FMZQPMAWIDATKI-INIZCTEOSA-N 417.535 1.750 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705663235 AGCPPODBOIVACZ-HNNXBMFYSA-N 402.549 1.511 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1705877540 KPWXNLMPRKWQBM-UHFFFAOYSA-N 410.522 1.837 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CC)n1C[C@]1(O)CCS(=O)(=O)C1 1705878189 JZZGYXWDYIADMG-HXUWFJFHSA-N 404.536 1.625 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CC(F)F)CC1 1705935198 JQXMBNZLVHNANK-UHFFFAOYSA-N 419.542 1.855 30 10 HDEE Cc1cccnc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1707688243 GFJYZALBPNTCDT-UTKZUKDTSA-N 412.494 1.799 30 10 HDEE Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707892417 VDBXKYZUINQXCK-HNENSFHCSA-N 414.416 1.954 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1709142827 NRBCPLFOMAVEDC-GOSISDBHSA-N 423.521 1.543 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710463542 GOPGLAHYCPLCDQ-XOBRGWDASA-N 414.466 1.145 30 10 HDEE CN(C)C(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710982645 ATPMQIHMAVOFSP-UHFFFAOYSA-N 424.553 1.938 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1711287641 ZOYVZRLTIDYBSW-UHFFFAOYSA-N 421.505 1.400 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1711303391 SKLIOUGFVXRSBU-RHSMWYFYSA-N 423.521 1.550 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722341681 LNEMTRAWOQUPCA-WDSOQIARSA-N 414.510 1.727 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1722369679 DOLIDZGXQIAVCX-DLBZAZTESA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(C)c1 1722382506 HTGINVLFKYZYCU-SFHVURJKSA-N 412.515 1.640 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1OC 1722423930 UVOWNPPGIANDJV-VQTJNVASSA-N 409.490 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)CC1 1722436349 DOAYFRLQOPDDRQ-KRWDZBQOSA-N 402.543 1.090 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722620106 JDHUBXZRDRPCGK-DYESRHJHSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H]1CCOC1 1722697904 QKWAMAPULZATOI-SFHVURJKSA-N 407.478 1.658 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(C)(=O)=O)C1 1722715025 MHVDCWGQCBLWGB-INIZCTEOSA-N 421.479 1.679 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC=CO2)C1 1722718274 ICDFLUWGLLLYFW-YESZJQIVSA-N 408.524 1.654 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1723910257 DGYRECBLRXAUJE-UONOGXRCSA-N 418.523 1.705 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@H]2C1 1728260616 WLLAVPVUNZBUGE-IBGZPJMESA-N 407.522 1.970 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1728635689 ZYKWSDRTNJZTBI-GUDVDZBRSA-N 417.558 1.132 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(C(OC)OC)c1 1729077032 DMSXPWDWGZIJCE-QGZVFWFLSA-N 401.467 1.883 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CCO1 1731188776 IODJWFZKQOQGPU-ZIAGYGMSSA-N 422.898 1.006 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCOC 1740548152 DNKOQBQYHCUYOV-MRXNPFEDSA-N 424.505 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1740553388 RSSANFRRGYMUPL-CVEARBPZSA-N 409.556 1.671 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN(CC)C1CC1 1740607226 JBLFJVYEVABDGJ-UHFFFAOYSA-N 415.567 1.792 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740627624 RNMUZYFEAYZBRQ-CQSZACIVSA-N 404.483 1.385 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCn2ccnc2C1 1740629324 JOJBLEFGAGEZHT-KRWDZBQOSA-N 407.522 1.728 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1740714614 FFGSFFSEBCXAFN-KRWDZBQOSA-N 409.519 1.808 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(O)(CC)CC 1747193749 KGOJEPVPBFXNNT-UHFFFAOYSA-N 413.526 1.959 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1748671418 JFBVPWCEWSCPDE-YLJYHZDGSA-N 411.506 1.971 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1748689422 CABCVIFHRXXJAU-ZRNYENFQSA-N 418.586 1.486 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748823750 BBIKUUOMWAIAJG-GJZGRUSLSA-N 416.494 1.877 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1748923159 WIQJWZXTQREPTB-KRWDZBQOSA-N 419.533 1.993 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749027794 VJMKOAKPKRCXGK-IBGZPJMESA-N 424.530 1.524 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1749141840 KPERWTLCPGPSGW-OAHLLOKOSA-N 418.523 1.763 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1749285611 QKDOAAJQVFYITM-HNNXBMFYSA-N 416.507 1.517 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1749471102 JNQPDTKVODBRCY-LJQANCHMSA-N 406.508 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OC)C1 1749736456 JIWHNNCURKPFSE-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760121288 ANMCYDKKAHJAFG-RDJZCZTQSA-N 413.503 1.621 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1760187122 HXNVTSLFPGCGSS-SJORKVTESA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760187136 ICLDMKBISOVPCI-IAGOWNOFSA-N 408.524 1.001 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760193373 YEDPRCBRUDQUJN-LUKYLMHMSA-N 410.515 1.895 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1760205777 JMJWAAFYXKBQKY-AWEZNQCLSA-N 404.442 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(C)C)CC1 1760260025 UPVAVVDCSGMACR-QGZVFWFLSA-N 407.584 1.618 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1760359419 NGXRGWDLWBXXCU-UHFFFAOYSA-N 419.555 1.688 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760407613 JBVCLVCDEDLXOC-HNNXBMFYSA-N 411.572 1.986 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760564989 LKVHFQZJEZOUME-OXJNMPFZSA-N 420.583 1.449 30 10 HDEE CC(C)c1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760911318 VDYHBQHVJSNUMA-ZZEZOPTASA-N 416.526 1.917 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)CCC1 1765617756 KNFVMMHIKZOIQT-ULQDDVLXSA-N 418.542 1.904 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766347616 GWZYWCLYQFHONR-AMGRQBIBSA-N 402.499 1.967 30 10 HDEE CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767158221 CPYPJYPIRZNINW-FQEVSTJZSA-N 424.553 1.020 30 10 HDEE CNC(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1769319298 CUVBRPHFNYDPTB-KBPBESRZSA-N 402.430 1.422 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC[C@@H]1C 1770657733 JVTLXSYUDGJVHX-MAUKXSAKSA-N 422.493 1.767 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)nc2)C1 1770730706 DFWCXSABLAUDFG-GOSISDBHSA-N 403.849 1.939 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1848944383 XCYVPWXJQAKNNR-UHFFFAOYSA-N 402.454 1.936 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCN1CCCCCC1 1850256246 ZIZRYISACUIUKV-SFHVURJKSA-N 422.551 1.440 30 10 HDEE COc1ccccc1CN1C[C@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852469176 WOPQPJWEYHYTDP-MSOLQXFVSA-N 422.441 1.674 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)C2CC3(CCOCC3)C2)C1=O 1854082473 QTEKGMCNPMWPKR-RTBURBONSA-N 417.550 1.820 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2=O)cc1C#N 1854600625 LCLXFUBQBRSDTJ-HNNXBMFYSA-N 408.380 1.314 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CCN([C@@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854967157 KJPJEHHMYAYBBZ-IAGOWNOFSA-N 401.511 1.924 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCC(n4nccn4)CC3)C2=O)cc1 1855000269 DILDKFFBRXQQOG-HXUWFJFHSA-N 406.490 1.937 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H]3CCCC(F)(F)C3)C(=O)O2)CC1 1856596886 KDUXVLPFZSGPJO-KBPBESRZSA-N 419.450 1.725 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@H]3CCc4ccccc4O3)CO2)cc1 1856792189 PTAKCDRFUWDBKL-QFBILLFUSA-N 414.439 1.800 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3ccc(-n4cnnn4)cc3)C1)CC2 1857220749 WTBPJTNJQGSJAK-WBVHZDCISA-N 405.462 1.277 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](CN3CCC(CC#N)CC3)CC2=O)cc1 1857221557 QVJOSXFCAKNGAZ-SFHVURJKSA-N 417.531 1.770 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3ccccc3n2)C1)[C@@H]1CCN(C)C1=O 1857236716 LFWLNGRHOIWTDL-OXJNMPFZSA-N 406.486 1.942 30 10 HDEE C[C@H]1CC(=O)N(C(=O)CC[C@H]2CCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857461428 SQEHRLYNHORRQA-LSDHHAIUSA-N 405.476 1.957 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)c1 1858298625 UPJRUWDHQASTNY-MRXNPFEDSA-N 410.455 1.246 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(NC(=O)C3CC3)cn2)CC1 1858452413 FTVUMOJFSFZYSC-UHFFFAOYSA-N 411.487 1.813 30 10 HDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN2CCC(O)CC2)nc1C(F)(F)F 1872800736 UWHNPDWAEZYPGD-SNVBAGLBSA-N 405.398 1.972 30 10 HDEE COc1ccc(OC)c(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)c1 1873920168 AGFKKMKVJDSKJC-UHFFFAOYSA-N 402.476 1.887 30 10 HDEE C#CCCN1CCC[C@H](COc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)C1 2086865136 OOQCFSYTTCJADW-KXBFYZLASA-N 423.469 1.202 30 10 HDEE CC(C)(C)OC(=O)NCCc1csc(NS(=O)(=O)N2CC[C@H](C#N)C2)n1 2137271825 LDXCRSJGQRUYMH-LLVKDONJSA-N 401.514 1.712 30 10 HDEE C#CC1CC(NS(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2153353405 MFHXUFZIFRJERN-UHFFFAOYSA-N 405.213 1.680 30 10 HDEE C#CCN(Cc1ccc(N)c(I)c1)[C@H]1CCS(=O)(=O)C1 2169183280 NCNJVBOZPRQQJH-LBPRGKRZSA-N 404.273 1.496 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174784044 JSEFYFACRHGYOK-GJZGRUSLSA-N 401.529 1.729 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C 2174788086 ATLPUPJDWWJBOK-SANMLTNESA-N 423.557 1.601 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174789463 QUWZTDIECOGSPV-JYCPIGSLSA-N 420.557 1.574 30 10 HDEE C=CC[C@H](COc1ccc(S(N)(=O)=O)cc1C(=O)O)NC(=O)OC(C)(C)C 2184539558 DDOPQIZYKZOSES-LLVKDONJSA-N 400.453 1.880 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H](C)S(C)(=O)=O 2186603140 YEGADUXSWOATEH-QWRGUYRKSA-N 402.347 1.395 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2cnc(NS(=O)(=O)N3CC[C@@H](C#N)C3)s2)C1 2201912269 JGSJINXSRHRXLM-NSHDSACASA-N 413.525 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1cc(Br)cnc1C#N 2218615813 MNPDGILXCOZQLE-HZSPNIEDSA-N 413.272 1.469 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247922457 IADMIPHYMRAOKA-ZDUSSCGKSA-N 420.319 1.666 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N=c2nc[nH]s2)c1B1OC(C)(C)C(C)(C)O1 2267708457 JZCQQUVLGGLXMI-UHFFFAOYSA-N 401.344 1.738 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282017614 MLKNLDWDZLAJIV-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCN(CCF)CC3)s2)OC1(C)C 2282425833 USGYVWGMDMYDBL-UHFFFAOYSA-N 404.338 1.323 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@@H]2CO)OC1(C)C 2282506300 QHNHVAFVWXEZTQ-RISCZKNCSA-N 401.721 1.688 30 10 HDEE CN(CCS(=O)(=O)N(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282581026 BFSRYZYSQMSVJN-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282589861 UCMLJAKGKRJUJN-GFCCVEGCSA-N 401.359 1.990 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282602441 RVOXBEBJGOJVML-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CN(C)CCN(CCN)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282661244 KRJWCOPZJBYGJL-UHFFFAOYSA-N 401.769 1.663 30 10 HDEE C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282827589 AIGJYWZLWYBWKA-YPMHNXCESA-N 401.721 1.783 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(CO)CCC1 2282829553 GQAJAZIPKODGSU-UHFFFAOYSA-N 401.359 1.797 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CC(C(F)F)C2)OC1(C)C 2282830488 UZDPJKZQGBJGPE-UHFFFAOYSA-N 408.301 1.905 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282843188 JNXFYBVOMJSONN-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CN 2282855434 DPYXGHIORKVIQU-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CS[C@H](C)CCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870260 PJPGFIBUUBVPIU-LLVKDONJSA-N 403.379 1.448 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 2284398385 XJOXIXKHDJFHOS-MNOVXSKESA-N 401.315 1.389 30 10 HDEE CC(C)(/C=C/C(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284405376 JXDXRTANKZOHJV-BQYQJAHWSA-N 401.315 1.745 30 10 HDEE CN(C(C)(C)CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407751 OSKZDEMQFKYYAG-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE COc1[nH]c(=N[C@H](CO)CNC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2301562869 QYUNRTQFCYYXES-ZDUSSCGKSA-N 423.319 1.109 30 10 HDEE N#Cc1c[nH]nc1NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316866989 ISSYLHBUWKKLDP-UHFFFAOYSA-N 401.448 1.880 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@](NCCC#CBr)(C(=O)O)CO2 2324756343 YNMMPCUNBOBQQJ-IAGOWNOFSA-N 417.300 1.945 30 10 HDEE CC(=O)NCc1nnc(SCCO)n1N=Cc1cc(Br)ccc1O 2330794724 RUNAYXHZDNUQPF-UHFFFAOYSA-N 414.285 1.349 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1cnsc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n1/c(=N/C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OCC)ccc21 13791915 CGSIWNMWHRYZEP-SXZOAGKDSA-N 421.544 1.834 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 25125592 AZEXYWWDMSMOCA-RXVVDRJESA-N 404.470 1.526 30 10 HDEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 105356019 JLVUVQQGZYRZAM-UHFFFAOYSA-N 419.894 1.477 30 10 HDEE CN1CCC(N2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)CC1 215986254 LPOOZSYKSMHSDK-UHFFFAOYSA-N 411.554 1.343 30 10 HDEE Clc1cccc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1 252628990 TWNODFWSESWAJD-UHFFFAOYSA-N 403.874 1.644 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCCN1CCc2c(Cl)cccc2C1 410423608 YWVIGKLGYNQWQY-UHFFFAOYSA-N 400.932 1.395 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435408243 RWENQRAYULNIMQ-CZUORRHYSA-N 412.471 1.467 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 438606047 HXXZBXKIWNBEJR-FOIPXRHGSA-N 410.474 1.935 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](CCC#N)c2ccccc2)c1 439452164 ZQTUJAVZUFMFLP-QGZVFWFLSA-N 400.460 1.694 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 442724665 WFBKPWWGWPEATH-UHFFFAOYSA-N 400.545 1.398 30 10 HDEE Cn1ccnc(N2CCN(C(=O)c3ccc(COc4ccc(C#N)cc4)o3)CC2)c1=O 465234504 JTMATMACTAIHPK-UHFFFAOYSA-N 419.441 1.786 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1cn(-c2ccccc2)nn1 472854392 SDZLEWWUUCSUNB-HOTGVXAUSA-N 417.477 1.910 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490035654 PRIPRGQHMOOILF-HNNXBMFYSA-N 401.444 1.890 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490041065 FXYGVWAYOSDEKK-CQSZACIVSA-N 405.432 1.792 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1=O 499421614 NPKBSKBJHBSVDX-GUYCJALGSA-N 405.252 1.850 30 10 HDEE CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 502268066 LBZMPTWIRIJQAG-UHFFFAOYSA-N 416.478 1.910 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2nc3ncc(Br)cn3n2)CC1 508631392 KMHMJQLTKMEQTG-UHFFFAOYSA-N 413.239 1.116 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 510572311 TUHDFHBNSPZHCO-MRXNPFEDSA-N 415.471 1.525 30 10 HDEE C[C@]1(c2ccccc2F)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513788573 SZINAPZAXZDQDT-LJQANCHMSA-N 401.419 1.938 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](C#N)C3CC3)CC2)cc1 519484066 RZELEGKBIFYGLW-SFHVURJKSA-N 418.519 1.027 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCCNC(=O)c2ccccc2)cc1 527200472 AWKODORVCRIYJC-UHFFFAOYSA-N 414.487 1.428 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1)n1cnc(C#N)n1 538404035 PAAJQRVHLIIYAK-KGLIPLIRSA-N 402.480 1.770 30 10 HDEE CN(CC(=O)NC(C)(C)C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 540471692 JTKSROWBCZYACU-SFHVURJKSA-N 403.502 1.381 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1F 541665650 QGTCEZCZXASWCH-KRWDZBQOSA-N 424.432 1.971 30 10 HDEE N#Cc1cccc(N2CCN(CCC(=O)Nc3ccc(C(N)=O)c(Cl)c3)CC2)n1 544881472 KFPXVTFGNVBDMX-UHFFFAOYSA-N 412.881 1.856 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2C[C@H]2CCCO2)cn1 549897179 IXRDJXWWFLDQLV-GOSISDBHSA-N 419.493 1.451 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)c2cscc2C#N)CC1 550865128 VCLYUJDISVEBNL-UHFFFAOYSA-N 404.517 1.486 30 10 HDEE O=C1CN(CC#CCN2CC(=O)N(Cc3ccccc3)C2)CN1Cc1ccccc1 560161972 KTFMZWFZJFRJHD-UHFFFAOYSA-N 402.498 1.594 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)CC3(C#N)CCCC3)c(C(=O)O)c2)CC1 564270954 NWHYAZMGSKLBIE-UHFFFAOYSA-N 406.508 1.962 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 565508438 JXEGSAFPWIXXQP-SFHVURJKSA-N 409.494 1.522 30 10 HDEE CC(C)CC[C@@]1(C2CC2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 569164597 KQLKPRDAFOUFLK-IBGZPJMESA-N 404.492 1.864 30 10 HDEE NC(=O)c1nn(-c2ccccc2)nc1NC(=O)C[S+]=C1[N+]#[N+]N=[N+]1c1cccnc1 575410856 HOMUJGYSYDHYIW-UHFFFAOYSA-P 422.434 1.257 30 10 HDEE C[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@H]1n1ccnc1 587664405 IDGKXYLGKZXMPP-VQIMIIECSA-N 421.505 1.344 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3noc(C)n3)nnc12 605435327 PKJFQWBDRDHNBM-UHFFFAOYSA-N 411.447 1.330 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCO[C@H](C(=O)OC(C)(C)C)C3)cc2C1=O 610446825 NQVYUTGLEZNAEK-INIZCTEOSA-N 400.431 1.651 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(NS(N)(=O)=O)c3)cc2C1=O 641909478 BDYAMFNJUVAXND-UHFFFAOYSA-N 400.416 1.336 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 669811178 XCHCGOLFTDPDCU-CQSZACIVSA-N 401.471 1.784 30 10 HDEE C=CCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 679821164 ICRVGLQECVUKLB-ABAIWWIYSA-N 423.318 1.436 30 10 HDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N[C@H]2CCCc3ccccc32)cc1 726788519 ORISZBDSJKKOPQ-SFHVURJKSA-N 401.488 1.921 30 10 HDEE C#CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 731213687 NXXLGIRPTKPRNX-CQSZACIVSA-N 412.533 1.602 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 739523291 WPNUJEKJAOJJDG-WPSGBVQYSA-N 419.503 1.680 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)CC1 745693010 AYKOAKAQMYTKBD-DXXRCUKESA-N 409.527 1.761 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760401146 SPJZCBDFMUVJCV-ZIAGYGMSSA-N 401.554 1.854 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCc3c(C)noc3C)C2)cc1 762609962 CUCGHMXALGSIJW-QGZVFWFLSA-N 417.487 1.634 30 10 HDEE N#C[C@H](C(=O)CN1CCOC[C@@H]1C[C@H](O)c1ccco1)c1nc(O)c2ccccc2n1 763668260 YLLLXPSGXQDDDN-LESCRADOSA-N 422.441 1.929 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(-n3nc(C)c(CC)c3C)c2)CC1 766868368 BAOPRIRSOFUUGM-UHFFFAOYSA-N 421.545 1.949 30 10 HDEE N#CCOc1ccc(CC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 767147381 DXQJLAHRYNCAKQ-LEWJYISDSA-N 418.497 1.847 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1cc(F)cc(F)c1 767630340 ZIMGGYDMWVGERS-NSHDSACASA-N 423.397 1.685 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1-c1ccc(F)cc1 767882209 RLQCUGXPCOWNKW-UHFFFAOYSA-N 412.471 1.276 30 10 HDEE COc1ccc(Br)c(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 769074981 BXSVJLYMJNOBHY-WUKNDPDISA-N 408.252 1.643 30 10 HDEE C#CCN(CC#CC)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769661310 ROVBJDPVINJSOK-UHFFFAOYSA-N 406.432 1.307 30 10 HDEE CCN(CC)CC#C[C@H](C)OC(=O)c1sccc1S(=O)(=O)N1CCOCC1 770803361 KFQIEJBQXMBAHU-HNNXBMFYSA-N 414.549 1.660 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cncc3ccccc23)c1=O 772899744 WKKLYFJFERIZPH-UHFFFAOYSA-N 406.511 1.896 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCN1C1CC1 775143303 CAEDWJHOCZSGSZ-LLVKDONJSA-N 413.222 1.865 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)nc1 780915681 PEDXJSSPNAIXHL-FQEVSTJZSA-N 408.458 1.902 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782807202 VUPGKPBZBLWYRY-GFCCVEGCSA-N 416.425 1.741 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C(=O)N(C)C(C)C 787493278 KCCDDPYSWAJIGQ-SFHVURJKSA-N 411.506 1.613 30 10 HDEE C[C@@H](OC(=O)c1c(N)cccc1I)C(=O)NC1(C#N)CCC1 787782881 MWEOXXIQXQLKJU-SECBINFHSA-N 413.215 1.981 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 793196580 XIDACPJFVIBWJB-MRXNPFEDSA-N 405.476 1.785 30 10 HDEE Cc1ccc(Br)cc1S(=O)(=O)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 798827177 UUAWGIKSFKETEB-JTQLQIEISA-N 412.269 1.629 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 802626834 QLYDLAJDXOVFIY-KBXCAEBGSA-N 404.438 1.460 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)CC1 804761178 XXTJCRQLVSVWMF-OALUTQOASA-N 414.506 1.745 30 10 HDEE C#CC[C@@H](Cc1ccccc1)Nc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 804809015 ZNCQKYQNXBITAX-INIZCTEOSA-N 421.544 1.631 30 10 HDEE C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@]2(CCOC2)O1 1128314385 BFHHTKBCJKKXQS-AFBRZQFHSA-N 403.866 1.971 30 10 HDEE CSc1cccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c1 1134424000 DXHBTEVZYPNNGO-CKFHNAJUSA-N 419.528 1.158 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1136150244 NASJYWHHOJTVLM-UHFFFAOYSA-N 400.298 1.403 30 10 HDEE CCOC(=O)[C@](C)(O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1138071522 VJXBMPUUHBVVSP-IBJAEKGXSA-N 409.483 1.204 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1142255683 DVSOTSKVISBANF-NRFANRHFSA-N 406.486 1.605 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1 1148406533 SYRUIYUUFBVTCV-UHFFFAOYSA-N 409.467 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1 1155676773 GCQWKJLHTGRMNR-UHFFFAOYSA-N 400.479 1.837 30 10 HDEE C[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1159491129 VMHOJLKBTHZUMU-JTQLQIEISA-N 403.236 1.770 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1180999734 DPWVQALLBUYVCS-HXUWFJFHSA-N 417.466 1.241 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)c(F)c1 1184775033 GBHOBIFDBNWCAW-UHFFFAOYSA-N 401.423 1.098 30 10 HDEE CCN(CCC#N)C(=O)CN1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1193693032 CMGZCMVRHWLRKF-QGZVFWFLSA-N 423.558 1.634 30 10 HDEE C=CCONC(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1251130495 SGBVMNHWFZWAAA-UHFFFAOYSA-N 402.373 1.969 30 10 HDEE C#C[C@H](NC(=O)NC[C@H](O)COc1ccccc1Br)C1CCOCC1 1253347769 IFEKCSUXEAPCPA-HOCLYGCPSA-N 411.296 1.916 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1254301746 FVFQSBBERREAAX-HNNXBMFYSA-N 419.484 1.928 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286383606 DJYIQHIOFXZBOJ-ZWKOTPCHSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286385353 WUJYRRGOWLQMSL-LJQANCHMSA-N 407.584 1.725 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)c(F)c1 1286398222 HQMDTUFOYDVHEG-UHFFFAOYSA-N 424.480 1.367 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1286450464 HCLZWHNPFPWZLB-UHFFFAOYSA-N 413.503 1.765 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286537618 HENPLRWFDDXQDT-GXTWGEPZSA-N 420.315 1.865 30 10 HDEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286715065 VUAHINADMKWFNZ-FXAWDEMLSA-N 404.536 1.992 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1286756256 JIHWREHQVPANKB-MRXNPFEDSA-N 402.499 1.886 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 1286786328 QYYJBIKLMBVWRC-DLBZAZTESA-N 410.478 1.579 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@@H]2CCSC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793008 ORMCZKSWWHTYCV-DNVCBOLYSA-N 409.556 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286819694 SORPCGBGGFLNPS-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1287136629 BYGQPSMJEBULDP-UHFFFAOYSA-N 406.494 1.922 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C[C@@H]2CCCO2)c2ccnnc2)ccc1F 1287484757 MIRFWNOVVZUSKI-INIZCTEOSA-N 420.466 1.906 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NCCNc2ncccc2C#N)N(C(=O)OCc2ccccc2)C1 1292157726 PBVZXLBLBXZZHN-MOPGFXCFSA-N 423.473 1.907 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cncc(-c3ccc(OC)cc3C)c2)CC1 1292889431 BMKYPDSFUBNCIO-UHFFFAOYSA-N 420.513 1.963 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CC(N)=O)C3)C2)C1 1294431136 DQINTFSKUIBVPD-SDMXJPDVSA-N 404.511 1.887 30 10 HDEE CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1295209241 OAYBAKLRXBIPLO-KGLIPLIRSA-N 405.480 1.308 30 10 HDEE CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H]2CCN(O)C2=O)cc1 1298426020 NRPCKKNKPJJNQE-HNNXBMFYSA-N 421.500 1.466 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1300309807 VKTDFTPUSQJMKA-ZFWWWQNUSA-N 416.507 1.177 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCC[C@@H](CC#N)C1 1300688376 ANDNRYXGPCFEIE-KRWDZBQOSA-N 406.552 1.991 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)C)CC1 1300716949 VCKSRFONZVQKDR-OAQYLSRUSA-N 403.527 1.552 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1300776337 HKKMAGYXWFDSCY-GOSISDBHSA-N 413.503 1.961 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1301289626 MGPMQGUTENYEOJ-UHFFFAOYSA-N 409.494 1.822 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301617835 JLSXLKSQEMGWMS-UZLBHIALSA-N 421.567 1.704 30 10 HDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCS1(=O)=O 1302507649 YREDBZFVAYEVHH-RQMAVPSVSA-N 411.524 1.419 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1302586050 YTBQXGVMKLEMPG-ZTFGCOKTSA-N 412.465 1.910 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1nccs1 1303847678 FHNNMTPZEBYYMU-CXAGYDPISA-N 423.568 1.718 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1c2ccccc2CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 1309700938 GGMUZSAZWBSRHC-WBVHZDCISA-N 407.492 1.397 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 1310878153 ZGKMZPBNZPCLPR-AWEZNQCLSA-N 422.327 1.900 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nc(C3CCCCC3)cs2)CC1 1311103636 HZEGGTWJWKBQBS-UHFFFAOYSA-N 411.553 1.808 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(N(CCC#N)CCOC)nnc2C(C)(C)C)CC1 1313927001 HBGRUGZLKQAODF-SFHVURJKSA-N 405.591 1.968 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1314827173 HPHKOVKSKJEUTB-LJQANCHMSA-N 407.421 1.972 30 10 HDEE CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1318544705 DQYUYIRVWCNEOT-VUAZUDAXSA-N 405.499 1.097 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)c1 1351039927 YBBUSFHRGRPAPD-AWEZNQCLSA-N 417.512 1.324 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1358900113 BNDSXRKRGFJPBB-MNEFBYGVSA-N 403.527 1.719 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1358950716 WLLRIHSNYQZAAE-MRCUWXFGSA-N 404.474 1.773 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1358980392 SZCMKSXVROCNMU-KRWDZBQOSA-N 408.437 1.069 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)CCCC)CC1 1359043911 NPFFQXMTAATPFP-UHFFFAOYSA-N 424.553 1.433 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359123903 WPNCYOIAEXOVDO-SJLPKXTDSA-N 400.479 1.836 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359167158 VPUXQCYUOIKJQV-QZQOTICOSA-N 419.489 1.947 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)CC1 1359179598 ZBOVYVIMBONCEM-VXESANQCSA-N 424.567 1.513 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1359246778 LEGQFAWLKQLMSI-KUHUBIRLSA-N 411.572 1.984 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359292363 NXZDCWVJILEATB-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359310288 RYCDHDJCYJSIKZ-RDJZCZTQSA-N 424.505 1.509 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@@H]2C)CCOC1 1360347391 HLHCLUKZJTWMLS-XKGFGPFHSA-N 419.526 1.720 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OCC 1438908223 MYKCFIGVVSNLRH-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1441025948 BWIDWRLAKNYQDO-UHFFFAOYSA-N 417.487 1.840 30 10 HDEE C=CC(C)(C)CNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1460037471 QDHMSLKKMVZVGQ-UHFFFAOYSA-N 411.499 1.621 30 10 HDEE O=C(CN1CCN(CCCCCO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1460540845 GWNYAAJPONDVQO-UHFFFAOYSA-N 411.468 1.953 30 10 HDEE C#C[C@H](NC(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CCOCC1 1465804261 JJHGYDJSLKTLKX-MPGHIAIKSA-N 403.483 1.069 30 10 HDEE C=CCc1cc(CNC(=O)N[C@@H]2CN(C(=O)OCC)C[C@@H]2CO)cc(OC)c1OC 1468363620 UTYAMVPVHWECHL-IAGOWNOFSA-N 421.494 1.681 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 1468953155 QFTUIKGRGDLASV-HNNXBMFYSA-N 417.491 1.197 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@@H](C#N)C1 1471765835 HKTIWNOPVYIFFJ-XJKSGUPXSA-N 411.911 1.635 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc3c(c2)CC(Cl)(Cl)C3=O)nn1 1475414181 ONGMKRLKIFUHFL-UHFFFAOYSA-N 401.275 1.855 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1475528059 ITRCAVBKTBHLRR-UHFFFAOYSA-N 424.338 1.513 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(C)noc1C 1504999722 OSRWDWRUZXPODS-HOTGVXAUSA-N 404.471 1.578 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(OC)C1CC1 1505082005 LKELTKHUJITFMD-JWWIWJDOSA-N 405.499 1.546 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1507513773 BFBFXRHNQNWDSJ-SOUVJXGZSA-N 424.596 1.711 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507558116 BPKSSLQJHBYJRU-QGZVFWFLSA-N 409.494 1.843 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)cc1N1CCOCC1 1507605507 RBFYINOMRHAMSJ-UHFFFAOYSA-N 410.522 1.679 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1507635180 UBOPEPWUJAFHKP-MRXNPFEDSA-N 404.540 1.194 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCn2ccnc21 1507659225 NZQSTRIQGJBLIU-QYZOEREBSA-N 408.506 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1507679840 RRXHUHMBTYWNFC-JSGCOSHPSA-N 410.569 1.916 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1507688921 FNRSSGXUFYIQHJ-JKSUJKDBSA-N 408.524 1.183 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1507755789 HYPKNOIGEVCGQM-FUHWJXTLSA-N 401.536 1.870 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1507983627 VTWQVDTZPQZDAD-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1507995304 HGIAXTAQTGVRLG-JOCHJYFZSA-N 408.506 1.950 30 10 HDEE C=CCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508066940 JDGZPBZGNDXKHU-HNAYVOBHSA-N 404.471 1.774 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCc2ccccc2)C1 1508088536 SQOYWVJGCPXDBT-ROUUACIJSA-N 424.505 1.327 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1508097015 GAKGJGWYAPHNDI-QRWLVFNGSA-N 405.499 1.206 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1508160238 DCAXIYZFLZKRCL-CABCVRRESA-N 400.570 1.715 30 10 HDEE CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1515360390 YTHYTJODSLOVIR-QTIQAUKSSA-N 424.461 1.773 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCOCCCO 1517127148 DBJXDHZIDFLHPD-UHFFFAOYSA-N 412.494 1.421 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1526235843 OFJQWFYVIXFCNY-SJORKVTESA-N 424.519 1.108 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O)c1ccc(Br)cc1 1528497468 MHDYIJMAPSOJOJ-ZDUSSCGKSA-N 404.220 1.216 30 10 HDEE C#CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@H]1CCS(=O)(=O)C1 1530298226 WKNNEMPFTJZJCQ-ZDUSSCGKSA-N 413.293 1.208 30 10 HDEE C#CCN(C(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21)[C@H]1CCS(=O)(=O)C1 1530298263 XRABJIMSTCBQJQ-WGHIXYSZSA-N 408.317 1.984 30 10 HDEE C[C@@H]1OCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1C(F)(F)F 1533470170 LKQZPAXEKBNNPB-FZMZJTMJSA-N 405.398 1.670 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(F)c(Br)cc3C2)C1=O 1536272292 RDKHWDHHVOOLED-UHFFFAOYSA-N 424.226 1.450 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)s1 1538862209 QYGZMMXNYRDITM-KRWDZBQOSA-N 419.528 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1539028970 FMMTWHRUGGHPEZ-GOSISDBHSA-N 411.506 1.791 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1539230017 BAIGKLXYNZIVMV-DLBZAZTESA-N 418.523 1.021 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1539239493 LVJRQTQBIGKOTN-MRXNPFEDSA-N 422.514 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)Cc1ccccc1 1539312152 JJTBDLCNFUXOSQ-UHFFFAOYSA-N 415.501 1.800 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)NC 1539336803 GUAFNUGZMNCZCB-UHFFFAOYSA-N 415.519 1.178 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1539344069 WUPDPGXHJCPWLY-CQSZACIVSA-N 421.523 1.413 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCO[C@@H]1C1CC1 1539392436 RNCQJZOSALPCGO-UTKZUKDTSA-N 403.527 1.708 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1539444057 FBUBSQAIOPOLRU-LJQANCHMSA-N 405.506 1.991 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCN(C3CC3)C2)CC1 1539490458 VUDNDCBIIXWVIC-QGZVFWFLSA-N 414.554 1.265 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1539517277 LDZVWVONALUXDJ-CRAIPNDOSA-N 412.581 1.552 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCOC1 1540194683 XWXYNWVEXCVYML-HXUWFJFHSA-N 402.451 1.464 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540872197 GRUDMRIVCGZGGX-HZPDHXFCSA-N 415.425 1.424 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1541804631 ZHNAHMYQWIPZQQ-OWCLPIDISA-N 412.485 1.876 30 10 HDEE C#CCN(C(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1542211056 JLMWPMVAQCDJAF-XHSDSOJGSA-N 400.541 1.965 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O)C(=O)OC(C)(C)C 1543547011 ZYNXNYDGOMELFJ-SFHVURJKSA-N 415.490 1.783 30 10 HDEE CC(=O)NC[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCO1 1544160937 FADCRVHQQLBWNA-JWRWLIQVSA-N 420.510 1.137 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccnc(-n3cncn3)c2)cc1 1544262688 BJIRLYXYJRHLOV-UHFFFAOYSA-N 410.459 1.670 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2nccn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367629 AVBGQKZCGFZHTK-HNNXBMFYSA-N 420.395 1.388 30 10 HDEE N#CCC1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)N2CCSCC2)CC1 1555995756 DNLZDOVPQXIDHC-UHFFFAOYSA-N 424.596 1.664 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NN2C(=O)c3ccccc3C2=O)s1 1556113675 CGDLDIXQBFCAIX-UHFFFAOYSA-N 405.457 1.082 30 10 HDEE CN1CCN(C(=O)N2CCN(C(=O)c3cccc(C#N)c3Br)CC2)CC1 1565622605 UCSHIIGDDXNBSV-UHFFFAOYSA-N 420.311 1.446 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H](c3cncn3C)N(C)C)c(C#N)c2N)cc1 1587340746 FXCNXUSYSSUMTI-HXUWFJFHSA-N 420.521 1.720 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCOCC1 1587814589 FTMNLZFWHAWMOB-HXUWFJFHSA-N 420.531 1.641 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1587852183 RVEQFSQIIWSISP-IBGZPJMESA-N 420.517 1.913 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588262527 GMMGHFAOTJIQLK-MRXNPFEDSA-N 414.485 1.359 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1588385239 GQKPBLSCXRKUMS-MRXNPFEDSA-N 423.564 1.375 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)CNC(=O)C2 1589060425 RNDFSRKFYOJBJH-MRXNPFEDSA-N 403.552 1.993 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1593635925 CTEIOADXFJQLLU-ZIAGYGMSSA-N 404.558 1.016 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(O)nc(C3CC3)n2)s1 1595611320 VJQFJPMQXAMVBX-UHFFFAOYSA-N 408.505 1.444 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCCn2cc(CO)nn2)C1 1595688464 JTSXDOLMQLITNZ-KRWDZBQOSA-N 413.482 1.802 30 10 HDEE CCC(=O)NC1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1595692818 NDNCUVWUQKBUGK-KRWDZBQOSA-N 411.462 1.280 30 10 HDEE C=CCC1(O)CCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1596593365 MTQQJZXKUQBGPG-CMDGGOBGSA-N 413.518 1.830 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)/C=C\c3ccc(F)cc3)no2)cn1 1597272147 YQCJUGBFFHCQSQ-HQQUCIOCSA-N 411.393 1.792 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)c3c(Cl)cc(C#N)cc3Cl)C2)cc1=O 1597992245 ANQAKLZFEXMQKZ-JTQLQIEISA-N 408.245 1.673 30 10 HDEE N#Cc1cn(CC(=O)NCc2cccc(NC(=O)C3CCCCC3)c2)c(=O)nc1O 1598000373 HEKGTZNVIWWXQL-UHFFFAOYSA-N 409.446 1.656 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1611319231 DHNDCQWNLLBTEP-INIZCTEOSA-N 419.493 1.768 30 10 HDEE C[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612895148 JMMHEFHFUDPTDX-QWHCGFSZSA-N 422.511 1.405 30 10 HDEE CC[C@H](C)c1nnc(N2CCNC(=O)[C@@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1613341678 AWULHKZZENOTNT-QTTXMIHLSA-N 415.498 1.033 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)OCC)([S@](C)=O)CC2)c1 1617986838 DGJIGOUJVWVGIV-LJAQVGFWSA-N 419.503 1.092 30 10 HDEE C#CCCN1CCC(NC(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 1618545571 MWDGCNGOEVYIQY-UHFFFAOYSA-N 402.499 1.287 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1619676650 BVNJXFCYVSPESY-SFHVURJKSA-N 424.461 1.851 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1620054461 JUEZKHMSMQPSOH-QGZVFWFLSA-N 408.466 1.235 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1620111488 WCQGVQOOQALTFB-KSZLIROESA-N 418.542 1.605 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1621742332 DXPZSJBOYUEGLH-UHFFFAOYSA-N 419.528 1.087 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)cn1 1622334937 KXMMEZIUZQDTSC-UHFFFAOYSA-N 410.521 1.025 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)CC1 1623339393 VTFFOPRIRATECC-UHFFFAOYSA-N 422.507 1.259 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(CNS(C)(=O)=O)o2)C1 1627790261 MVDOJGNCBRAWCF-MRXNPFEDSA-N 402.476 1.551 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 1630585557 PUGOGDQMYAKIPY-RBSFLKMASA-N 416.544 1.408 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)CCCC(=O)Nc2ccccc2C#N)C1=O 1630607489 KSBDDZQZRBCUMR-YCRPNKLZSA-N 411.462 1.504 30 10 HDEE COC(=O)[C@H](O)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1631119936 KXMJVVHXYDLHKX-HZPDHXFCSA-N 411.499 1.736 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)NC)s1 1632895557 AFDNSVOAEATQQK-MRXNPFEDSA-N 421.544 1.228 30 10 HDEE CCCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CC(=O)N(C)C1=O 1633776248 ZQMWIKVAMIKTPO-XJKSGUPXSA-N 416.865 1.560 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 1633871351 GLNVTPXOKPBSNZ-AWEZNQCLSA-N 400.382 1.328 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)c1=O 1635762001 MMKMKVHQQQMZEY-HNNXBMFYSA-N 421.498 1.031 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 1635810904 XIRMUGTXTZFVDU-GOSISDBHSA-N 413.861 1.642 30 10 HDEE COc1ccc(C[C@](C)(CO)NC(=O)CNC(=O)c2ccc(C#N)cc2)cc1OC 1637532976 BFYKGXDJXLMHLO-JOCHJYFZSA-N 411.458 1.415 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 1638019843 CMFMBMCMSDNIFU-MJGOQNOKSA-N 418.902 1.762 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCc3nc(N)ncc3C2)C1 1638903875 SGGAMIQBISZQOD-UHFFFAOYSA-N 413.279 1.714 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H](O)C(F)F)nnc12 1638983087 FNQBVWIGTSCJLA-CYBMUJFWSA-N 423.445 1.455 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C[C@H]1CS(=O)(=O)C2 1639174909 DNYSCTQAXOSDDE-HQRMLTQVSA-N 405.495 1.577 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)Nc2cc(C)ccn2)s1 1640383061 PNQWWKGKDRVKHY-UHFFFAOYSA-N 422.532 1.555 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1cncc(Cl)c1 1640527924 SZCZQNAIFUSDDM-GFCCVEGCSA-N 408.867 1.469 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 1643375650 XPZZWQSYTIXMKP-QGZVFWFLSA-N 417.506 1.593 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1644428832 MBAIRAOECPAVOI-TUVASFSCSA-N 412.408 1.349 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2ccc(C#N)cc2)cn1 1644515321 SGSBOFWJKXUIEZ-SFHVURJKSA-N 401.492 1.482 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)C1 1644638482 SCSJGLWQMNODDK-MRXNPFEDSA-N 414.531 1.549 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccnc1N1CCCC1)c1cc[nH]n1 1645242228 FGGGTONNQYOJSA-UHFFFAOYSA-N 400.439 1.005 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1645580887 BKHURUJVVVREAO-AWEZNQCLSA-N 421.947 1.659 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1B1OC(C)(C)C(C)(C)O1 1646488700 MPCPABQZNZIDSQ-UXHICEINSA-N 414.355 1.965 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(CC2CC2)C1 1647791543 CDLAXGXMZMIHNJ-QAPCUYQASA-N 404.536 1.463 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(C(=O)OC)c(C)n2C)c1 1650997308 ANWAZWCSNMXLKZ-UHFFFAOYSA-N 402.472 1.847 30 10 HDEE Cn1c(=O)[nH]c(N2CCC(Nc3cccc(Br)c3)CC2)c(C#N)c1=O 1651019675 CRTIVJITKNOMTE-UHFFFAOYSA-N 404.268 1.789 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1652926315 UONJQBODDUPMOT-UHFFFAOYSA-N 423.447 1.128 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1 1652979405 WVJOBXPJMSJWJT-GOSISDBHSA-N 406.446 1.854 30 10 HDEE C#CCn1cc(CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)cn1 1655956592 QLYYARNUMFYKTO-UHFFFAOYSA-N 416.503 1.737 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])CC1 1664904709 LHCIKJPQHXODKU-UHFFFAOYSA-N 400.483 1.566 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1 1682747924 DJPWLHFIQSVAAZ-LJQANCHMSA-N 418.925 1.716 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)C1 1687593212 LNFJLBCIXWQMIC-AEFFLSMTSA-N 408.340 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)C(C)C 1690022711 PALVHBZLKZOBIA-UHFFFAOYSA-N 403.490 1.362 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC)CC1 1690111889 LOSAWGVIUPCPAW-INIZCTEOSA-N 414.485 1.449 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](F)COC)CC1 1690113343 HFRQAHHGPQYGRS-XLIONFOSSA-N 409.506 1.058 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@](C)(O)CC)CC1 1690145887 AJXZBTQMRJCJIX-DYESRHJHSA-N 403.527 1.299 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1690188225 FSNMQKZLEJRHIN-OAQYLSRUSA-N 419.493 1.711 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCS(=O)(=O)C1 1690624399 QHPGVGFQQQYERR-KRWDZBQOSA-N 405.524 1.337 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(CN2CCOCC2)CC1 1690674177 RJFBNHFKNUZHHW-UHFFFAOYSA-N 402.543 1.081 30 10 HDEE COC[C@H](Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1697768723 LQQXTHAWVUADQS-FXAWDEMLSA-N 407.515 1.720 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 1705538584 UJQCCDPBUDQLPZ-UHFFFAOYSA-N 411.485 1.675 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1705583435 YBEKKWNFYLRUDY-QGZVFWFLSA-N 422.514 1.143 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(N2CCCC2)CCOCC1 1705595321 OBRGMDYBMNXGLM-UHFFFAOYSA-N 419.533 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCSCC#C)CC1 1705649099 KHTSNMOHEYWFPY-UHFFFAOYSA-N 408.531 1.672 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1705846763 RQDKFBYILOYWHV-CABCVRRESA-N 405.524 1.943 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)SC 1705876033 NFZLMJIXZPFOFO-CABCVRRESA-N 415.585 1.541 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1708153410 WYPXTYWZXDOOPI-VQIMIIECSA-N 422.489 1.741 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709301120 XVCYXSFBGSKUEH-MCYOWCNASA-N 400.483 1.545 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722307237 SFJQIAIMUCLYFT-INIZCTEOSA-N 413.482 1.587 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1722330598 UKZTVNYXFQJUHW-UHFFFAOYSA-N 410.522 1.625 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1722335139 BLAJSRIXQRYXRG-KRWDZBQOSA-N 408.506 1.978 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1722368342 QDIFNEQKERUEEY-KRWDZBQOSA-N 403.483 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N(C)CC 1722392614 OTSVTLKBVVOZLR-UHFFFAOYSA-N 407.474 1.658 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1COCCO1 1722408015 WYNOSFHBPNWHGO-SFHVURJKSA-N 408.466 1.186 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1722411795 PWXQLADBSJHIPW-OXQOHEQNSA-N 408.568 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2cnnn2C)CC1 1722431229 NEOLJEGPWSIYIF-MRXNPFEDSA-N 424.484 1.489 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2nccnc2C)CC1 1722431790 SJAHWYNAMSTAQR-GOSISDBHSA-N 413.526 1.098 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2CCN(C(C)=O)CC2)CC1 1722435007 DJXGYJUPOJCRPX-UHFFFAOYSA-N 409.538 1.297 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1 1722506001 SSONUTVAFMHUMA-YLJYHZDGSA-N 416.526 1.050 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1722631824 XZJBQPFWWYMOSC-CYBMUJFWSA-N 403.574 1.423 30 10 HDEE C=CCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@]1(OCC)CCOC1 1722691058 PFEUAYUOWSGTSW-PXNSSMCTSA-N 402.499 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccco2)C1 1722728853 YZABXNKFGPZCPL-LSDHHAIUSA-N 419.507 1.417 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1722750146 KPSGQMSLAPGNBW-KRWDZBQOSA-N 412.475 1.146 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1723690216 IXMXFCMVGLWLMJ-UTKZUKDTSA-N 420.558 1.635 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1724056558 XGAULQXHDFERCS-QGZVFWFLSA-N 421.461 1.790 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1740580751 HMKIXBNYEPKNHX-INIZCTEOSA-N 419.555 1.415 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740592232 UHLRUPYDVYQQAH-IKGGRYGDSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1740620042 BPWJYFYWRNEIQH-QGZVFWFLSA-N 420.539 1.120 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1740629742 YDWNMFGIPYTVRZ-UHFFFAOYSA-N 418.501 1.385 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1740663606 NLUDPPWTOGKLLN-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740886944 YANXSFJEQLFBGG-INIZCTEOSA-N 404.515 1.050 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(=C)CC1 1740954033 ZONCNTUTIRPETQ-UHFFFAOYSA-N 415.519 1.807 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740959756 DPSJBDPSRZAZBI-DLBZAZTESA-N 416.526 1.066 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1741801421 APOPOZXZNKZRON-KBPBESRZSA-N 420.543 1.313 30 10 HDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1741851203 IAWVKRAPSPOMJF-OAGGEKHMSA-N 420.514 1.766 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1748681497 DJNUGIFLHPQVEH-RTBURBONSA-N 421.549 1.943 30 10 HDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748743768 KQYCRSASQZAFSC-UHFFFAOYSA-N 420.517 1.594 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748746008 XKDUTWLTUYXAGQ-PXNSSMCTSA-N 424.553 1.081 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN(C(C)=O)C1 1748799358 QBSKJFJNIWGJTM-MRXNPFEDSA-N 414.535 1.598 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748811356 FHVBIYCSACZOMN-HNNXBMFYSA-N 423.489 1.956 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1748892734 WGDBOFKBHLKBNA-SFHVURJKSA-N 403.552 1.129 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(CC)C(C)C)CC1 1749009054 LNCZLGRLNSGUTP-UHFFFAOYSA-N 411.554 1.969 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC 1749061416 UGQPHVGIHFJJCL-LJQANCHMSA-N 403.508 1.495 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749207300 IBTDJKLWXXNWFB-KFWWJZLASA-N 404.515 1.937 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1749268598 DBUSLPBFFWBELC-OAHLLOKOSA-N 402.948 1.922 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1749459486 LBEWPGWZDOFBIJ-FQEVSTJZSA-N 401.515 1.434 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749671080 YQXSBCRMOOWVOO-UHFFFAOYSA-N 423.525 1.088 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1749712804 LTTLYVBOVMQFOV-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1C(C)(C)C 1749740775 YQPLHGQOWBXDHD-GJZGRUSLSA-N 400.545 1.417 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760173667 CHRQIKKNMDIEAO-GOSISDBHSA-N 408.911 1.141 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760222183 ZISNDQTVAGSEBD-HXUWFJFHSA-N 410.566 1.636 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(F)F)CC1 1760269019 VUPHPMORTMTPQW-CQSZACIVSA-N 408.453 1.240 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1760278429 UUVMWXQFXITTFE-UHFFFAOYSA-N 400.508 1.985 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1760281257 POTMLDVUTOJHLK-INIZCTEOSA-N 416.551 1.187 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760293367 UFHALKJIEWMRFT-HTAPYJJXSA-N 408.506 1.827 30 10 HDEE C[C@@H]1COCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763222214 HMXBWZNWNULKDC-FZFLATATSA-N 423.477 1.015 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763657420 RSWLVBSJDZOZMA-DIYRITFWSA-N 414.510 1.935 30 10 HDEE CO[C@@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)CCOC1 1769770267 NRNJVXAPNMEVFP-BFUOFWGJSA-N 402.455 1.407 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nnc2n1CCC2 1769982689 JOQVIIZWXDNFMN-OAHLLOKOSA-N 414.514 1.718 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)(F)F)CC2)o1 1770740090 IXBRBGLLARKTNR-AWEZNQCLSA-N 423.399 1.426 30 10 HDEE CS(=O)(=O)CCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1771353740 UOAFGRJXVLPEKQ-UHFFFAOYSA-N 416.507 1.515 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1771491501 BHIFHYIZJSLEDF-QLFBSQMISA-N 416.507 1.423 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)c3)CC2)cc1 1848718612 YZOFJLVTLLWRJI-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE C#CCCN1CCN(C(=O)CCNS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1850808501 XNSDQWJAQQNUNW-UHFFFAOYSA-N 405.564 1.756 30 10 HDEE CN(C(=O)Cc1ccc2c(c1)OCCO2)c1snc(N2CCOCC2)c1C#N 1853288477 FURPWKOGZVDAIT-UHFFFAOYSA-N 400.460 1.828 30 10 HDEE COCCC(=NOCCN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853552044 CQNXJWRIKRFVCN-UHFFFAOYSA-N 424.523 1.312 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@H]4CCCOC4)C3=O)CC2)CC1 1853675755 PPSJPMDQFBOVKT-OALUTQOASA-N 416.522 1.015 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)c1 1853739241 OSBBTARBKPJJGS-KRWDZBQOSA-N 400.479 1.721 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccc(OC)cc2)C1=O 1853827445 CLNLSCJTTOCYRE-OALUTQOASA-N 415.490 1.310 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2cccnc2)C1=O 1854262803 MVHMWFUYVRHCFY-MSOLQXFVSA-N 400.479 1.087 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3ncc(Cl)cn3)C2=O)C1 1854342283 VJYMWTOCGXLSKB-OAHLLOKOSA-N 412.837 1.291 30 10 HDEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854473194 IJFMMECPWHCHQU-JTQLQIEISA-N 420.274 1.285 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1854558586 QXMGTTWQWHQIAG-AEFFLSMTSA-N 405.520 1.719 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(CC3CCC3)nn2)CCN1Cc1ccc(C#N)cc1F 1855019335 NHDBTTFTVZGSCL-AWEZNQCLSA-N 410.453 1.962 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1 1855698795 WTNCRYNVPUTPAR-ZIAGYGMSSA-N 414.453 1.852 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1 1855745700 OOHIKYUQMNXFNR-GJZGRUSLSA-N 402.882 1.913 30 10 HDEE CC(C)C[C@@H](CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856059192 YPUWVOLDESMMCQ-LBPRGKRZSA-N 411.446 1.904 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(Cc4nncn4C)CC3)CC2=O)cc1C#N 1856060707 ZKDXDOCCDRQAII-LJQANCHMSA-N 406.490 1.896 30 10 HDEE CCCC[C@H](F)C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856235284 FEVYNRQSIYWXRW-ZBFHGGJFSA-N 402.474 1.372 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856531444 IENAKFUKVIRTCI-QAPCUYQASA-N 404.474 1.849 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3ccc(F)c(F)c3F)C2=O)C1 1857111972 OCGAQSTZKPPKOS-HNNXBMFYSA-N 416.359 1.875 30 10 HDEE CCCC(C)=CC(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857388583 GMAXSVIUDSUBEL-KRWDZBQOSA-N 410.522 1.980 30 10 HDEE COC(=O)[C@@H](C)NC(=O)c1cncc(NC(=O)/C=C/C(=O)c2cccc(OC)c2)c1 1866232760 UVJLHCGXLATBDV-SBDDDAINSA-N 411.414 1.759 30 10 HDEE CCOc1ccc(-c2nc([C@@H](C#N)C(=O)CN(CCO)CCO)sc2C)cc1 1872800391 SSSKHGGQGAYWHI-KRWDZBQOSA-N 403.504 1.980 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1891767857 SEQWJAFRZGJMNH-UHFFFAOYSA-N 415.475 1.786 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2cccc3nsnc23)C1 1891785486 ZQNUZCUYKWOBBN-LLVKDONJSA-N 402.461 1.585 30 10 HDEE Cn1nnc(Br)c1S(=O)(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1924408848 IVIZUZJMDHLMRS-UHFFFAOYSA-N 421.126 1.290 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N=c1[nH]cc(Br)nc1Br 1926477125 XFSUBUFCZSBOFT-SSDOTTSWSA-N 412.107 1.961 30 10 HDEE Cn1cc(C#N)c(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)n1 2046022566 LAIHXVACJKSYCY-QGZVFWFLSA-N 405.411 1.058 30 10 HDEE N#CCCN(CCC#N)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2050609259 ILIRDXZQLPFCPI-UHFFFAOYSA-N 402.476 1.912 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12 2053541008 XYPJAWWDSQFSQA-WCIQWLHISA-N 420.458 1.525 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118153964 DPZVJSMOOPOICO-YMXBGEKHSA-N 408.546 1.431 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2174780228 RSPJQJUMLKLWCZ-LBPRGKRZSA-N 414.450 1.902 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@H]2C 2174787593 VUAQAXLMMGRRPZ-DIOPXHOYSA-N 401.529 1.916 30 10 HDEE C#CCN(C(=O)[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@H]1CCS(=O)(=O)C1 2180116408 ZJMNBNFOLZYMQG-CVEARBPZSA-N 400.541 1.822 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2185706808 RJHLPJKEMLXSIV-HUUCEWRRSA-N 401.529 1.870 30 10 HDEE C#CC[C@@H](C)CN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197743033 CFZDLDKRFRRKNC-CABCVRRESA-N 400.541 1.917 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243392061 FMJYLAAIOXJSLK-STQMWFEESA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243676522 KCNXHUDRYMKXJS-LBPRGKRZSA-N 407.276 1.205 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243687380 XBHFOBSICJLDIB-HUUCEWRRSA-N 408.304 1.619 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247818343 WMFXHDUAMDZJAO-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@H](C#N)C1)NC(=O)OCc1ccccc1 2258173216 LYFJLNBAZNYBFG-HZPDHXFCSA-N 409.464 1.020 30 10 HDEE CO[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CSC 2267367820 ZGQGGUYZEXVIAQ-LLVKDONJSA-N 407.388 1.704 30 10 HDEE Cc1cc(S(=O)(=O)NS(=O)(=O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2269017224 SXIPYGAIPWQXJD-UHFFFAOYSA-N 409.360 1.372 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2282192554 ZAFWZWHQBLARMV-UHFFFAOYSA-N 401.359 1.990 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1(C)C 2282332607 DNDXFLTWGMVCHW-CYBMUJFWSA-N 400.375 1.808 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282338818 UNCJXUYAQQWMRM-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE CC(C)CNC(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340617 ICHNZKLZVUCXNL-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CCN1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282343994 SKJCUPLQTHGDON-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(N)CCC3)c(Cl)c2)OC1(C)C 2282493673 XNNMDSKTMRHCDJ-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCCN2CCSC[C@H]12)B1OC(C)(C)C(C)(C)O1 2282501043 RHJNNFUPKWIIBJ-HUUCEWRRSA-N 402.391 1.673 30 10 HDEE C[C@@H]1COCCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504053 JEROKHWHMXHSQZ-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3C[C@H](O)[C@H](N)C3)sc2Cl)OC1(C)C 2282612493 UBDLTBIXNDOWCH-JLLWLGSASA-N 400.737 1.529 30 10 HDEE CC1(C)OC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@@H]1O 2282617605 KWGKLLISZRPHSZ-PWSUYJOCSA-N 401.721 1.969 30 10 HDEE COc1nnc(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)s1 2282833656 YTBIKMSPFOCGGT-UHFFFAOYSA-N 418.331 1.244 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)C[C@H](C)N)sc1B1OC(C)(C)C(C)(C)O1 2282839128 ZEIHMFHKEOEBJR-FTJNGKRUSA-N 422.403 1.489 30 10 HDEE C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284394455 YLJRLYGTGIUFHH-JTQLQIEISA-N 403.693 1.638 30 10 HDEE C[C@@H](NC(=O)CSc1nncn1N=Cc1cnc(N(C)C)nc1)c1ccccc1 2321849399 PECIQMODPHKDRI-CQSZACIVSA-N 410.507 1.986 30 10 HDEE COc1cccc(C=CC(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 2328107009 QTJYIVDLVCVHCH-TZIWHRDSSA-N 421.497 1.944 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2329035264 WZIXXZOAULLOKN-AWEZNQCLSA-N 402.480 1.545 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1 2365203986 LIDKAXIMGYSFED-BZUAXINKSA-N 402.557 1.578 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365204981 QPBZYKFVRVQVIJ-LSDHHAIUSA-N 402.557 1.945 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(CCN(C)C)C(=O)OC(C)(C)C 2367794500 AACGLRUMXHKQSG-INIZCTEOSA-N 401.573 1.344 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367830431 IWDPETLRRFELNL-GJZGRUSLSA-N 402.557 1.599 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)C[C@@H](C)S(=O)(=O)[C@H](C)C1 2380751036 ZLQFRMGDYFFPIB-ZIAGYGMSSA-N 404.529 1.856 30 10 HDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@@](C)(O1)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@@H](O)[C@]12C 4534087 CLOQVZCSBYBUPB-ZZPYMECQSA-N 410.507 1.520 30 10 HDEE CCn1c(=O)c(C(=O)CNc2ccc(C#N)cc2)c(N)n(Cc2ccccc2)c1=O 15122493 XRCARFLFYKGNRH-UHFFFAOYSA-N 403.442 1.827 30 10 HDEE COc1ccc(S(=O)(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1OC 90730980 IRKUGRFBPREKJN-UHFFFAOYSA-N 405.428 1.793 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2COc3ccccc3O2)ccc1F 105868296 VUUWBOMEGHCIDW-AWEZNQCLSA-N 406.435 1.860 30 10 HDEE C[C@@H](C(=O)N1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1)n1cnc(C#N)n1 409637220 FVBNQCZHKUMERO-QWHCGFSZSA-N 422.445 1.552 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)ccc1C(F)(F)F 410148591 FBFQRFFQSBPJKV-OAHLLOKOSA-N 417.409 1.635 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1noc(-c2ccccc2)n1 429897188 KDWQMVPXPRFDGA-UHFFFAOYSA-N 409.431 1.945 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H](CCCC#N)c2ccccc2)C1 431377211 PAOZCPRPAVVCLC-MSOLQXFVSA-N 407.540 1.992 30 10 HDEE COCCN1CCC[C@H]1CNS(=O)(=O)c1ccc(C#N)c(Br)c1 433087986 KPKGKSUBQPYWES-ZDUSSCGKSA-N 402.314 1.710 30 10 HDEE C=CCc1ccc(OCC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)c(OC)c1 439934949 LSXNGBHXHZANPR-HZVDNRATSA-N 417.458 1.754 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NCC(C)C)n(C[C@H]2CCCO2)c1=O 440380545 GYMJVNVSTNFARN-OAHLLOKOSA-N 415.515 1.266 30 10 HDEE COCCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443339115 XKHIUIUBHUODSP-UHFFFAOYSA-N 421.519 1.881 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(=O)(=O)NC)ccc3O)cc2C1=O 461460839 PSVZEKKHZVZCKJ-UHFFFAOYSA-N 415.427 1.335 30 10 HDEE C[C@H]1CC[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 464817758 YOGSJKGNLJDBNQ-DLBZAZTESA-N 404.536 1.512 30 10 HDEE COCCN(Cc1cc(-c2cnn(C)c2)no1)S(=O)(=O)c1ccc(C#N)cc1 469540786 WBKAUSNFJQSSIZ-UHFFFAOYSA-N 401.448 1.784 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 473440713 KLWGHERQQFRJCN-UHFFFAOYSA-N 400.460 1.545 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 485997553 BJWSNYYAZXPXDK-WOJBJXKFSA-N 419.485 1.625 30 10 HDEE COc1ccc([C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)cc1 489024900 UWDMCUAGRCKUHZ-HXUWFJFHSA-N 416.503 1.622 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503636644 WJZRMAHRNJYQCE-ZQQUVUGCSA-N 408.451 1.200 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 505592662 HCUPDOQVILDCTP-OAHLLOKOSA-N 422.528 1.756 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508496499 ZGDTZAUYDISHNN-SFHVURJKSA-N 419.489 1.561 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1 508771350 JKWVNJWXKFBSHJ-FQEVSTJZSA-N 423.517 1.219 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508809700 MVMCWZBURHTWOR-UONOGXRCSA-N 412.560 1.205 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 508917333 JBFZBNTZQZLLNF-MSOLQXFVSA-N 404.515 1.907 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 517998794 OMGXMGGZRLKXHB-SFHVURJKSA-N 405.587 1.801 30 10 HDEE COc1cccc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)c1 538148715 BOASGHPSOXIXOJ-RTWAWAEBSA-N 400.523 1.761 30 10 HDEE CN(CCC#N)S(=O)(=O)Nc1ccc(I)cc1C(=O)O 548211662 RWPIOCCDYPNYRV-UHFFFAOYSA-N 409.205 1.492 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1 552702327 CNYZLTBXIPKRAZ-UHFFFAOYSA-N 413.865 1.691 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)cc1C#N 562333728 PZFYBZHTYOZISG-QGZVFWFLSA-N 405.549 1.590 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)c1 571966404 MFNBBFUZUIGKBA-SJORKVTESA-N 418.519 1.134 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)C(=O)N1CCCN(c2cccnn2)CC1)C(C)C 576246517 NGLWBTQOEXQLKE-LJQANCHMSA-N 414.554 1.330 30 10 HDEE COCCn1c(N)c(N(Cc2ccccc2)Cc2ccnc(C#N)c2)c(O)nc1=O 610994615 YAGZFWXVBOBRKM-UHFFFAOYSA-N 406.446 1.651 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 619753650 ZWXJGLHRLHCMNU-RVKKMQEKSA-N 412.943 1.876 30 10 HDEE C=CCSCCNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 729605384 AMXKDRGUSLUMLQ-UHFFFAOYSA-N 414.333 1.130 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1 732447752 BRXUKUDZCWVEJV-MLSMBGFSSA-N 412.446 1.735 30 10 HDEE CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c(C)c2)CC1 732706434 JSDGLKJLJWXZGT-HXUWFJFHSA-N 424.549 1.274 30 10 HDEE C#CCCNC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 733247974 HTZPYQIBJXCNSM-UHFFFAOYSA-N 418.519 1.149 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1 734566698 DMERGLWBZHLZOM-ZBEGNZNMSA-N 405.407 1.134 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cn1 734602099 XEYUPKWHIAYRQT-UHFFFAOYSA-N 410.455 1.938 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N(C)Cc1cccc(F)c1 741339176 CHZQQOMPRXKRMF-UNQMGURYSA-N 403.410 1.632 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(N2CCC(O)CC2)c(F)c1 742394654 WTWDITWTXNUCNY-UHFFFAOYSA-N 404.467 1.918 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1C 747250957 QAGZHBTUFGSSDN-LBPRGKRZSA-N 406.323 1.569 30 10 HDEE COC(=O)c1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(S(C)(=O)=O)c1 758649909 OLFWYPKRQCZNQJ-OAHLLOKOSA-N 406.464 1.081 30 10 HDEE C#CCN(C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 760960255 WFCYLSICZXKAKQ-QGZVFWFLSA-N 417.487 1.380 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cn1 765145955 QFXODRREZCWNST-UHFFFAOYSA-N 409.471 1.035 30 10 HDEE C#CCN(C(=O)CCCC(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 767324842 SUJLVHRNGOXBRL-MRXNPFEDSA-N 405.472 1.460 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 774253253 SKXDDFCMRKEOGH-IEBWSBKVSA-N 420.531 1.742 30 10 HDEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 777471851 TUSQPSHPKKWTCH-QGZVFWFLSA-N 418.519 1.991 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cc1 780892088 CIXQFAXALLOKQO-SIKLNZKXSA-N 423.469 1.582 30 10 HDEE CCN(C(=O)[C@@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 781394074 DBVHKCYRZHHMJF-RHSMWYFYSA-N 404.488 1.557 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(C2CCCCC2)C1=O 785871798 HFPJXMCXNYUNIF-DVEDPGPFSA-N 403.483 1.136 30 10 HDEE Cc1c(NC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c(=O)n(-c2ccccc2)n1C 798745221 YMNKYHNJENHECQ-ZIAGYGMSSA-N 423.433 1.079 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1C 801376340 HQIFMLKVFNAHNR-MSVBSMQLSA-N 412.446 1.529 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(O)(c2ccc(F)cc2)C1 802622053 FRNNNCWHOKKKFT-ZDUSSCGKSA-N 403.435 1.094 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(OC(F)F)c1 803666523 GWMDYVGSSJWMHT-UHFFFAOYSA-N 424.429 1.818 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@H]2C[C@@H](O)c2cccs2)c(F)c1 804162806 SZUCMJWMIFLWJP-NVXWUHKLSA-N 417.462 1.726 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 811503875 IUPLTDZXCFSXDI-UHFFFAOYSA-N 405.863 1.220 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 858062791 BAYZURJVPHRLSI-MRXNPFEDSA-N 400.460 1.220 30 10 HDEE CCCN1CCN(c2ccccc2C=NNc2ccc(S(N)(=O)=O)cn2)CC1 915961366 BJFMROKVQVRVRA-UHFFFAOYSA-N 402.524 1.707 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc3n2CCOC3)c1 1125188728 HCJRTZNMOZSILV-PGMHBOJBSA-N 403.464 1.478 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(NC(N)=O)CC3)C2)C1 1137026588 NNZNTNRDKMDTPT-DMAKZNTKSA-N 405.499 1.433 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)CCOC1 1148015275 MOTJNRHERHCLKX-UGKGYDQZSA-N 412.490 1.003 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[S@](=O)c1ccc(Cl)cc1 1150868791 BJDCCHIGMBUHIJ-CEXHIMGSSA-N 403.895 1.847 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CN2CCNC2=O)cc1)C(=O)OC(C)(C)C 1151860140 YLBKZUJHTHNHNJ-UHFFFAOYSA-N 400.479 1.698 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(=N)n(C)[nH]3)CC2)c1 1155594704 HELUNQZWFULMLW-UHFFFAOYSA-N 401.492 1.044 30 10 HDEE C[C@@H](CC(=O)Nc1cc(C(F)(F)F)n(C)n1)/N=C1/NS(=O)(=O)c2ccccc21 1157067208 PXKNECNQMGWCDV-VIFPVBQESA-N 415.397 1.895 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC(=O)OC)CC2CCCCC2)C1=O 1162217272 KFJJPJIQZCOOPF-HNNXBMFYSA-N 407.467 1.372 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CNS(C)(=O)=O 1174978518 XDAXILHEKXTWKW-INIZCTEOSA-N 409.508 1.981 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccccc2C(F)(F)F)CC1 1175515250 UQXIKHBJIGLDGO-CYBMUJFWSA-N 403.426 1.421 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 1177758544 CHIILMRFIVFTCW-CVEARBPZSA-N 401.511 1.962 30 10 HDEE Cc1ccc(F)c(-n2cc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)c1 1178757033 JNHWMUPADPJFNG-SGTLLEGYSA-N 404.423 1.036 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286324948 RKNXNBZBYJNIRV-QZTJIDSGSA-N 404.536 1.950 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1286360301 FLSSZPNFXCKECI-HNNXBMFYSA-N 417.535 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2occc2C)CC1 1286485261 HBAAFXFMYLVBOG-UHFFFAOYSA-N 424.505 1.430 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N(CC)CC)CC1 1286485673 UKNIUQBFRQHOBF-UFYCRDLUSA-N 418.586 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ncccc2C)CC1 1286490411 UIHYNIXTAJDEDT-UHFFFAOYSA-N 403.490 1.991 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCC=CO2)CC1 1286646628 UBXGDCBFVXKMJO-DLBZAZTESA-N 423.539 1.460 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)[C@@H](C)C1 1286784083 VXKXQAWKYGWRDR-GJZGRUSLSA-N 407.482 1.315 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)C1 1286811784 IDMYZCBFJWKXKY-OAHLLOKOSA-N 424.427 1.724 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1286969468 GLZAEPKIHVTLFE-CQSZACIVSA-N 412.585 1.205 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCOC2)C1 1288976491 ALHJVZWUOLKDBG-JTDSTZFVSA-N 407.540 1.737 30 10 HDEE C[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)c1ccc(S(=O)(=O)N(C)C)cc1 1289361700 JLDSUIOZLIUCFN-HNNXBMFYSA-N 406.504 1.905 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)(F)F 1292133972 MVKIVKKLECRJNV-CYBMUJFWSA-N 418.420 1.852 30 10 HDEE COCC1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1295924512 YZDLNYSIZFXGLU-LFDOHDQPSA-N 407.511 1.773 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3CNC(=O)c3cnn(C)c3)cc2C1=O 1297868816 KQKIUIOXBATKEA-MRXNPFEDSA-N 421.457 1.237 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1298283381 CXAYXSHGAWWACJ-UHFFFAOYSA-N 416.507 1.067 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCNS(C)(=O)=O)cc1 1299991952 GJQSPYQABRQRPR-CQSZACIVSA-N 406.512 1.631 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1300509232 HTFPBCQGGBHNMS-MRXNPFEDSA-N 415.519 1.156 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301249704 XHVYEUJPLHUCSY-FQEVSTJZSA-N 417.535 1.948 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)cc1 1301336073 VDMAHXJBDZYQTK-IBGZPJMESA-N 411.483 1.220 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1301491092 DIUMVYPZPYXIFD-QFIPXVFZSA-N 410.522 1.548 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301578277 VHKHJMXCMHICNL-IYBDPMFKSA-N 408.455 1.247 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCO1 1301773378 ABXFPHWCYMDPHM-MOPGFXCFSA-N 424.505 1.933 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccncc2Br)cc1 1302297983 HADVJSAVRYJWIM-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)C(F)(F)F 1303847590 JOUXSYPGICQWSZ-LOWDOPEQSA-N 409.430 1.057 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc(C)sc1-c1ccccc1 1309079856 RKMLJMFDPCPAMX-OAHLLOKOSA-N 410.542 1.930 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)nn1 1312544008 QZZQKUCSWHSGSF-UHFFFAOYSA-N 409.450 1.704 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCSCCCO)CCOC1 1314099852 DKKOWWYSRCUDNO-LJQANCHMSA-N 409.556 1.786 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C#N)C1 1358908158 NLBACCGFZCFOEV-SFHVURJKSA-N 403.450 1.453 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1c(C)noc1C 1358976655 MKOVFOBAASNUIS-UHFFFAOYSA-N 406.446 1.926 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(=O)NCc1ccco1 1359024649 RZBBNZYVIHKTAX-INIZCTEOSA-N 401.467 1.168 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1359025118 DIIUBTYAURFPTC-VHEBQXMUSA-N 414.510 1.479 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCC2)CC1 1359035572 XYPGPHQKLQQNLE-IBGZPJMESA-N 413.570 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(=O)N(C)C)CC1 1359041833 KAIZANLUSHWKAN-UHFFFAOYSA-N 424.505 1.008 30 10 HDEE C=C(C)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1359118172 ROYXBILHLXVHJL-UHFFFAOYSA-N 415.523 1.897 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1359172749 GTCLTVLFWQZBBA-UHFFFAOYSA-N 409.556 1.786 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1359226270 BAHPMOFNKVNBGT-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCNC(=O)CC1 1359304561 BBKDWKDNZDSNBL-UHFFFAOYSA-N 412.494 1.102 30 10 HDEE N#C[C@]1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCCOC1 1436147521 WKNGMTVZONVOKS-LAUBAEHRSA-N 403.454 1.280 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(C#N)ccn2)C1 1439199920 PEHVZRNSBPVYJV-CQSZACIVSA-N 408.480 1.107 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(OCc4cscn4)c3)C[C@H]1CS(=O)(=O)C2 1439607525 FNIWTLGHZLPYKJ-KSSFIOAISA-N 403.485 1.732 30 10 HDEE COCCN(CCOC)C1CN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1452736112 KLZXRGHPRAHJIM-QGZVFWFLSA-N 404.486 1.329 30 10 HDEE CCn1cc(CNC(=O)c2cccc(CNc3ncccc3C#N)c2)c(O)nc1=O 1455124276 CPUYPHVBQRETLF-UHFFFAOYSA-N 404.430 1.778 30 10 HDEE CC[C@H](CO)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1463215036 BLOHSIJCZJGESQ-CYBMUJFWSA-N 402.314 1.398 30 10 HDEE CCC(CC)N=c1cc[nH]cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1468495893 CLCGOEIJPKMXDC-UHFFFAOYSA-N 401.492 1.893 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCc3ccc(CC#N)cc3)no2)cn1 1470628928 RNLRWDWPYHTQIB-QGZVFWFLSA-N 407.434 1.819 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 1473667153 OMFFOHCIOVANGF-UHFFFAOYSA-N 416.478 1.392 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1476281865 UEAFBGHIDDXXEE-LRDDRELGSA-N 408.886 1.871 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1479523487 DZFMRRRXHJYUFG-OHTSDLOESA-N 419.503 1.599 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1503810318 FERHTCZPLRWUBV-YCRPNKLZSA-N 410.478 1.337 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CCCCN2CCC[C@@H]2CO)cc1 1505316766 LELPDNUMGCSQAD-HXUWFJFHSA-N 410.522 1.890 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2(O)CC2)n1 1507716191 IGRRHDLYSVTQSH-UHFFFAOYSA-N 409.494 1.291 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](Cc2ccccc2)OC)CC1 1507723233 ADSVVPIGKKGPSV-FQEVSTJZSA-N 417.517 1.748 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOCC1 1507797583 DQTDXPHGXOTCGE-IEBWSBKVSA-N 415.542 1.428 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC2(CC1)CNC(=O)C2 1507809257 IXYAEXSNYMUDIM-QFBILLFUSA-N 403.527 1.902 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1507870376 HSQIGVMNBCHVJX-UHFFFAOYSA-N 408.915 1.691 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507926624 SZSHUEYIOBUVAL-KBXCAEBGSA-N 412.560 1.207 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1507936942 MHSRQBNWIKHMDR-UHFFFAOYSA-N 414.558 1.828 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1508018467 TXZKOCNLIBSJEM-HNNXBMFYSA-N 401.467 1.990 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1508057523 DSMZNQPZRFWAFD-CYBMUJFWSA-N 402.528 1.546 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1508076130 CXQYFNZWACRALF-ZDUSSCGKSA-N 409.512 1.408 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508136441 GQFCBLRVTFKFKP-OAHLLOKOSA-N 405.524 1.945 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1509637279 FZCRTFFGNQKUIU-QRWLVFNGSA-N 405.522 1.979 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCC1=CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1512572769 VVUSHZHFQPHAGW-UHZRXMQZSA-N 404.507 1.294 30 10 HDEE Cn1nccc1[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1525883902 KKISAFJSTBDXOO-QAPCUYQASA-N 417.491 1.262 30 10 HDEE CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538539530 IZYXTCGYJHWSBO-BUXKBTBVSA-N 407.467 1.821 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1538978008 ZKHSVLYGMAWEJB-VFNWGFHPSA-N 412.494 1.927 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1539116894 NREUDTCKZIEVIT-UHFFFAOYSA-N 417.539 1.122 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(Cl)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1539206038 MAGAOOGEKRMXKP-MRXNPFEDSA-N 408.911 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1539250213 JTPXZCQKOJVPBX-UHFFFAOYSA-N 408.853 1.277 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1539506027 OZMWXHYBXLCPRG-QGZVFWFLSA-N 400.552 1.863 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1540069912 ZHSDZXDLSKKQHU-UHFFFAOYSA-N 402.499 1.739 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCCCO)C1 1540889410 LNOGGPMOFRHQJN-HNNXBMFYSA-N 403.483 1.950 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1540908218 RWBDIUAYVJJBCY-LSDHHAIUSA-N 404.540 1.148 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCSC1 1541349648 RJDFFZXZCQFIDX-LJQANCHMSA-N 400.508 1.804 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)NCCN1CCOCC1 1542881319 FHAKIMRQFXQRJP-LINPMLQXSA-N 419.497 1.387 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)/C=C\CN2CCOCC2)c1 1544409343 NPFOXPBDFWXVFI-UQWQUDKRSA-N 406.508 1.326 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CCCO1 1544722207 FDIYCETZNLLUTD-YOEHRIQHSA-N 423.477 1.420 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1545058431 FUKHRLALPPLALG-MRXNPFEDSA-N 412.494 1.726 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)CC1 1545534742 QMCPUECZJFNURN-UHFFFAOYSA-N 403.236 1.489 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(N2CCC(OC)CC2)CCCC1 1546545625 HQIDYPCTXWQKDK-GOSISDBHSA-N 402.543 1.993 30 10 HDEE CCOCc1nnc(N2CCC[C@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1548164907 QLZVHZYNOAOULC-QGZVFWFLSA-N 414.510 1.876 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2nccn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367630 AVBGQKZCGFZHTK-OAHLLOKOSA-N 420.395 1.388 30 10 HDEE Cn1cccc1-c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCSCCCO 1554349900 JWGNVUIBGRHKSB-QGZVFWFLSA-N 415.567 1.576 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(OCCO)CCOCC1 1556317338 XEBUXRARTUMVJJ-CQSZACIVSA-N 406.907 1.697 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1 1557327354 PVNSRTMRNHVFKP-QGZVFWFLSA-N 401.488 1.657 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1557977194 CTSNJMBYPVQUAJ-ZDUSSCGKSA-N 422.507 1.774 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN([S@](C)(=N)=O)CC2)nnc1-c1ccco1 1558236651 HOMIJLDQAILXJH-NDEPHWFRSA-N 424.552 1.942 30 10 HDEE Cc1c(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cnn1CCC#N 1558694478 RNXVYBMUASBCRP-AWEZNQCLSA-N 416.482 1.055 30 10 HDEE C=CCN1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)c(Br)c2)C1=O 1560788756 CMAPGDFJAGWSJK-ZDUSSCGKSA-N 402.314 1.315 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1565411604 VNRMVNXYEYALIS-HNNXBMFYSA-N 420.539 1.851 30 10 HDEE COCCN(CCC#N)C(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1565566459 SVXKIMKGIOXTNH-UHFFFAOYSA-N 416.482 1.799 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)c2S1(=O)=O 1565631621 RYYRQXCBUMVVFE-ZDUSSCGKSA-N 414.274 1.819 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccnc(C#N)c2)C1=O 1568546691 RFKZTPXPURSNGZ-MRXNPFEDSA-N 401.467 1.333 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(OC(F)(F)F)c(Cl)c2)CC1 1568701607 TUCXLDLPBJCIGJ-UHFFFAOYSA-N 403.788 1.746 30 10 HDEE N#Cc1c(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)[nH]c2ccccc12 1583802175 DNRSWZHWKYOZDL-UHFFFAOYSA-N 423.498 1.832 30 10 HDEE CCCN1C[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1584195939 VCCIWDFSVXGLBL-WBVHZDCISA-N 411.462 1.138 30 10 HDEE N#Cc1nc(NC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Br 1585750157 MNAOGQUFLSUVKO-WDQYXFPCSA-N 401.220 1.461 30 10 HDEE COC[C@]1(C)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1587446015 JKOZTYJRFOOTPP-JXFKEZNVSA-N 400.435 1.027 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1587851327 IAIDIADOBKMKHW-SFHVURJKSA-N 412.538 1.872 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1587853908 FJMJJROTVJWIEC-GOSISDBHSA-N 422.411 1.820 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](F)COC 1587989475 KHWIQMULAGDSAQ-GJZGRUSLSA-N 411.478 1.640 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1588053906 IUEMSAJYWYJDSR-JXFKEZNVSA-N 418.519 1.673 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1588139719 QNVSGVVWOKRSIR-BEFAXECRSA-N 418.544 1.222 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OCC2CCCC2)c2ccccc2)CC1 1588199223 JPINTDYPSQWDTD-FQEVSTJZSA-N 419.547 1.546 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](c2ccncc2)C2CCCCC2)CC1 1588199591 VBDLBMONGSFDTR-IBGZPJMESA-N 404.536 1.357 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1588387440 TVBXQGJMLUDEJU-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1588637483 GNAMZKQIEZESPH-UHFFFAOYSA-N 414.510 1.496 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)COCCO1 1588672714 GHEKXMUKOIFJQC-HXUWFJFHSA-N 402.499 1.031 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1589089547 SRZDTVRNCXRKFF-ZBFHGGJFSA-N 416.576 1.715 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H](C)N1CCOCC1 1589151152 SHUUIYNNVMFWSF-LVCYWYKZSA-N 405.543 1.715 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CCC2)CC1 1594097243 ORWCEAXDRXFPQF-PVPMGCCUSA-N 412.581 1.638 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCS(=O)(=O)C1 1595303333 QSCTZZIITCRPSS-KRWDZBQOSA-N 405.524 1.337 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCNC(=O)[C@@H]1CC 1595570096 XKQVSRBOVLCFJX-KRWDZBQOSA-N 421.505 1.298 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1596851020 RWAFIBQXKSSXLO-NVXWUHKLSA-N 418.523 1.704 30 10 HDEE CC[C@](C)(COc1ncccc1Cl)NC(=O)CCn1cc(C#N)c(O)nc1=O 1596926195 CVLUDSCFMOXYMC-GOSISDBHSA-N 405.842 1.623 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1)C1CCOCC1 1611604231 PIZKSXFMWWGHBG-QGZVFWFLSA-N 403.460 1.942 30 10 HDEE Cc1c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cnn1C 1611892237 RVUPNUUKDVWWEI-FXAWDEMLSA-N 415.498 1.138 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccccc1OCC#N)CCS2(=O)=O 1618581141 LVNCHPHNBUJHHK-BIWSTMPVSA-N 406.460 1.218 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1618794243 CLYWOAMDUXUFED-UHFFFAOYSA-N 409.494 1.257 30 10 HDEE COc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)c1 1619341508 YEUCCHLAYNATNU-UHFFFAOYSA-N 415.475 1.947 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nnc(C)s1 1619989193 DAUZQFJKVDHORZ-PXAZEXFGSA-N 409.491 1.847 30 10 HDEE Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1-c1ccn(C)n1 1622979415 GCBDGGOIXMELRI-HNNXBMFYSA-N 404.478 1.840 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccccc2NS(C)(=O)=O)c1 1625617815 FFFNOHDBARDBMH-UHFFFAOYSA-N 420.512 1.785 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 1626312947 DRBFHOIXIUSPHT-YCABEKBOSA-N 404.438 1.668 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 1629075596 HYFBQBXFRMWDBP-KRWDZBQOSA-N 413.499 1.615 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F)C(=O)OC 1629617414 OVPDDAZQOZOYRT-SNVBAGLBSA-N 406.229 1.286 30 10 HDEE COc1ccc([C@@H](CN2CCCC2)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1630884017 FHUIIQRGVUCXQC-GOSISDBHSA-N 411.462 1.173 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)CSc2ccccc2)CC1 1633467328 TZJIUZTXADAYRI-MRXNPFEDSA-N 410.565 1.352 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)cc1 1634486231 JMCIPSHFNYMOKB-HXUWFJFHSA-N 404.463 1.461 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1634543168 JJTABFPCDBNEKR-HOTGVXAUSA-N 412.531 1.783 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(N(C(=O)OC(C)(C)C)C3CC3)CCC2)CC1 1635993950 WCCJYXMSFMCCOX-UHFFFAOYSA-N 418.538 1.202 30 10 HDEE C=CCOC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2cccc(C)c2)C1=O)C(=O)OC 1638630708 URPAORWUCMDIAC-CVEARBPZSA-N 403.435 1.060 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)C1=O 1638808054 IRJFSPFOJRUQLU-GFCCVEGCSA-N 417.384 1.171 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC3(COC)CC3)nnc12 1638859935 GFAVSRISLDOWJU-UHFFFAOYSA-N 413.503 1.865 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 1640221870 MBBLEXHNMHZAJN-QGZVFWFLSA-N 410.478 1.842 30 10 HDEE CCOC(=O)C[C@@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc21 1640463213 SXZJXZZZULNSSC-AWEZNQCLSA-N 410.430 1.684 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1nc(N(C)C)ncc1Br 1640921029 ZGXHPEDYVHMCHJ-AWEZNQCLSA-N 404.268 1.982 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1641856752 CKIPUJOTWCTJFX-IBGZPJMESA-N 414.506 1.144 30 10 HDEE CN(CCN(C)C(=O)c1cccc(C#CCO)c1)CCN1C(=O)c2ccccc2C1=O 1641857416 YZNZMDWJCZPXRB-UHFFFAOYSA-N 419.481 1.330 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@H]21)c1cc[nH]n1 1641994166 WKTGAQAYAXKPKF-IAOVAPTHSA-N 402.838 1.801 30 10 HDEE CCn1cc(C#N)c(=O)n(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1=O 1643615388 IXANEKUTTZHKFU-QRWLVFNGSA-N 404.467 1.318 30 10 HDEE CN(C)c1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)cc1 1643675737 HSRRTEWJPFGYPX-JOCHJYFZSA-N 405.458 1.708 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)c(=O)nc1O 1646147571 LEVXPEPFUDXQSX-OAHLLOKOSA-N 410.478 1.444 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)c1 1648022662 GZYNFIMTIISECY-OAHLLOKOSA-N 409.826 1.733 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCN3CC)nnc12 1648994558 VAUZNFMVHNPHCM-CQSZACIVSA-N 412.519 1.533 30 10 HDEE CNC(=O)CN1CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CC1 1652306925 LWNJZXUUSUVVPK-UHFFFAOYSA-N 422.533 1.975 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)C(=O)OCC 1656399681 DGHJXLLHUUFBAY-OAHLLOKOSA-N 400.884 1.948 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 1657569660 DDPALSKBNXOJRB-IBGZPJMESA-N 410.430 1.664 30 10 HDEE CO[C@H](CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 1663140441 BGSSVKVUNGTRAJ-WOJBJXKFSA-N 413.499 1.966 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1670852690 ZQTKOXGKVWUHAV-UHFFFAOYSA-N 403.464 1.781 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)CC1 1672565691 MLMKYOYOMKXSJR-UHFFFAOYSA-N 406.508 1.355 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OC(C)(C)C)[C@H]1n1cccn1)[C@H]1CCS(=O)(=O)C1 1682609446 SBYZNFQMOOQVFK-YVSFHVDLSA-N 408.524 1.212 30 10 HDEE CO[C@@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CCOC1 1683932527 ZXPYUDYUJBNTHM-BEFAXECRSA-N 412.494 1.609 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCC(O)CC1 1689949598 KTKWZCDIGIMQSU-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1689991214 YLSFFIMIDDZNFF-BZSNNMDCSA-N 420.535 1.492 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCc1cnn(C)n1 1690006701 XSDCTSRGAVFXRC-UHFFFAOYSA-N 404.434 1.687 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1690026734 JTYJAAQHIDMZRW-UHFFFAOYSA-N 400.446 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCN1CCOCC1 1690050836 CNAALFZPABYZQW-UHFFFAOYSA-N 412.563 1.819 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1nnc2n1CCCCC2 1690104698 FXFSBKGYMKABRB-UHFFFAOYSA-N 420.521 1.716 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)nc2OC)CC1 1690135204 RIQPFGPXWRQNEA-QGZVFWFLSA-N 412.494 1.345 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](CCC)OC)CC1 1690135385 VLMRWDACBDWELI-OTWHNJEPSA-N 405.543 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2CCOCC2)CC1 1690142124 ISPFSOVKCRNQHG-UHFFFAOYSA-N 410.522 1.676 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690244114 TXAPRFVKEQBZCS-AYBZRNKSSA-N 411.510 1.773 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690485550 WOPQOJAHGMYQSO-CVEARBPZSA-N 404.540 1.874 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](CC)C1 1690733975 SADCOWOTYLTKOZ-SOUVJXGZSA-N 417.601 1.811 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@@H]1C 1694738214 KEDMXVYYHCTKCV-KRWDZBQOSA-N 410.526 1.154 30 10 HDEE COc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1697438450 FSCZEDGIONNGEL-INIZCTEOSA-N 414.441 1.439 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@@H]1NC(=O)CC1(C)C 1698062531 CVTYXPHHFMFDSK-KRWDZBQOSA-N 411.510 1.545 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)N(C)C 1705502286 VDZQYDIAOMWHMC-INIZCTEOSA-N 419.551 1.769 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(COC(C)(C)C)on1 1705556162 BJNVOUQBQPWSCL-UHFFFAOYSA-N 400.483 1.821 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(CO)c1 1705574538 GOHRYZIGVCFFAN-HSZRJFAPSA-N 408.502 1.932 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnc(C)s1 1705590609 QVEPEIDZRADJJE-FQEVSTJZSA-N 414.535 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1CCCO 1705599882 CNEQLHRZYJWVMZ-OAQYLSRUSA-N 406.534 1.574 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1CCC(=O)N1 1705630504 VJLPKKXKUUDPKP-GOSISDBHSA-N 411.506 1.839 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1705872468 YSWPCKNFPNUORH-MRXNPFEDSA-N 404.540 1.886 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705896920 BRFHRHSFRFCJLV-IIBYNOLFSA-N 423.558 1.946 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC(F)F)CC1 1705907341 JHOFQEJYWAINNL-UHFFFAOYSA-N 418.492 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](F)COC)C1 1705922193 HYDJPFPHLXBGLY-UONOGXRCSA-N 407.446 1.772 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc(F)c1 1706870618 FUEJNNDNBUWHNT-SCLBCKFNSA-N 424.477 1.712 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)cs1 1707755507 QFZOVXHMWZCWGY-OQRWROFFSA-N 408.528 1.987 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C#N)CC1 1709013309 FBMYRFTWBDWNBS-UHFFFAOYSA-N 409.498 1.771 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1710116386 OKOIULGVIQNSHT-GOSISDBHSA-N 407.482 1.899 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1710823915 CQFWCVQKMSYFNM-UHFFFAOYSA-N 420.477 1.440 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CC1 1712104115 FCLDYQXYPHYEOH-UHFFFAOYSA-N 406.446 1.753 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1712671323 ULFNFERPGDPQCH-UTKZUKDTSA-N 410.478 1.432 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccc(F)cc3)nnc2N2CCS(=O)(=O)CC2)o1 1712881155 NKSMERGRIYYSIK-UHFFFAOYSA-N 415.450 1.756 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722341534 YVTVHYABMDAYFG-SIKLNZKXSA-N 419.570 1.889 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@H](N1CCOCC1)C(F)(F)F 1722345346 OXAGKWDOLHTYSB-GJZGRUSLSA-N 419.448 1.335 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1722368691 UXILWNZIHSSTHN-SJORKVTESA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1722369738 FRALLBBKDALOQA-KZNAEPCWSA-N 423.583 1.487 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(F)(F)CO1 1722420983 JFSJDEHARCBJPX-QAPCUYQASA-N 414.453 1.440 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cccnc2)CC1 1722441128 LSNSKHXIVFNCTO-PMACEKPBSA-N 410.522 1.395 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1722636824 BSOMYVUAHDEPPE-IBGZPJMESA-N 420.539 1.666 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1722647331 IDIXMADYCKPGLZ-UHFFFAOYSA-N 403.575 1.296 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(NC(C)=O)CC1 1722701545 UDKSEPUAJGLUFE-UHFFFAOYSA-N 424.549 1.861 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCOCC1CC1 1723946645 YUCFKQQLQKEJGK-BEFAXECRSA-N 424.571 1.835 30 10 HDEE CCCCN(CC)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728050935 NNSIEJXHNUAUBE-UHHPSXQGSA-N 402.499 1.935 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccc2F)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729310031 QKAFQQCMPOGGKJ-UHFFFAOYSA-N 421.436 1.707 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1740554177 XCWZPMHCTPTEND-CABCVRRESA-N 402.524 1.147 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCO[C@H]1CCOC1 1740558632 UKGVBFKOPBTGLS-CVEARBPZSA-N 417.535 1.923 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740570232 CPOSMJUFIXVYHR-QYZOEREBSA-N 414.554 1.580 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1740576217 SOQSYEMNVVQZNG-QZTJIDSGSA-N 423.583 1.741 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740593440 DTVNOMAGLJAEKW-FQEVSTJZSA-N 421.549 1.420 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCCNS(C)(=O)=O 1740602800 VWBRPKZYTUFUTA-UHFFFAOYSA-N 413.450 1.555 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CC2)CC1 1740708690 ZECNGBUTJTYKDM-UHFFFAOYSA-N 407.518 1.554 30 10 HDEE C=CCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740880521 XSUXIDOOKXAJOU-QGZVFWFLSA-N 403.458 1.914 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740890075 SJLCYRGEAVVIIR-QGZVFWFLSA-N 415.498 1.309 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccccc2OC)C1 1740957329 JVUVNEAGLDGGFI-INIZCTEOSA-N 421.505 1.983 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1741705150 ZFMLZOICAYFOGF-NRFANRHFSA-N 418.542 1.973 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCCC1 1742905949 FAPDFRUFXGZTGW-HNNXBMFYSA-N 421.505 1.529 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CSC)c1 1748772412 NPGRGIKRJPWQJX-AWEZNQCLSA-N 407.565 1.869 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1748814360 DQSFACYXGVEOLJ-QGZVFWFLSA-N 421.567 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCN1CCOC(C)(C)C1 1748896795 KJBXKUFBRFEINN-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1748926705 HYIVRQBDOLVYHL-DOTOQJQBSA-N 412.469 1.172 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749131034 PPCVVWJORDZOGI-YSHGAJCASA-N 403.527 1.820 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1749189777 RXHMAVXGOLDNRB-HNNXBMFYSA-N 412.498 1.239 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(=O)NC)C1 1749352198 GTVIDNWOCAXAOM-INIZCTEOSA-N 420.558 1.750 30 10 HDEE CS(=O)(=O)CCOCCn1c(Cc2ccccn2)nnc1N1CCC(C#N)CC1 1750207868 XOYBHXBNXUUNPQ-UHFFFAOYSA-N 418.523 1.065 30 10 HDEE CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1750561908 CBQFGIGKLLUTCM-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCC[C@@H]1C 1760170415 BOKKSOZNYVFCHB-MGPUTAFESA-N 416.551 1.859 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1CCN1CCCS1(=O)=O 1760176296 FZKDHALCPZXPFK-UHFFFAOYSA-N 401.536 1.558 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1760192238 GVRKGRLKYWSRDX-LJQANCHMSA-N 416.547 1.992 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccco1 1760224253 CWOYDQIPSKXQBS-UHFFFAOYSA-N 407.434 1.408 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCOC1 1760248173 CRHCMBYRVZCJKG-HNNXBMFYSA-N 401.467 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCOC1 1760248174 CRHCMBYRVZCJKG-OAHLLOKOSA-N 401.467 1.518 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760439247 ZTJSGFKZCJDLMW-HZPDHXFCSA-N 421.509 1.572 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1760520274 IOWFMZZPJZZQNS-JSGCOSHPSA-N 412.416 1.742 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1761546090 NGRCBOQLBXHJBX-QVKFZJNVSA-N 413.526 1.445 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)no1 1764637025 QWRMORCZSDJPLK-KEYYUXOJSA-N 403.487 1.786 30 10 HDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1768153446 ZAOMTFSIZXIKFD-IBGZPJMESA-N 423.521 1.460 30 10 HDEE COC1(C)CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1768194035 PZBXNBQDGXGHHH-ZPHPHTNESA-N 408.462 1.697 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1769735921 KZHZUZAYWNIPTM-GOSISDBHSA-N 412.494 1.870 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)CC1=O 1771128991 CPGCCOOAVPDWPM-QZTJIDSGSA-N 416.526 1.755 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1771136313 ONTHZSOLEWBAAM-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1771295645 XJOZYGLVYUZDCH-ZWOKBUDYSA-N 422.505 1.166 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 1771535171 DDPYAQVCNNRMBL-QGZVFWFLSA-N 413.526 1.762 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)[C@@H]1CCN(C)C1=O 1848993121 TUUFIZBMMXIAEP-GDBMZVCRSA-N 401.463 1.302 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@H]1CCN(C)C1=O 1849165140 CHXMLDRYFYSXHM-WMZOPIPTSA-N 405.520 1.333 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 1850124001 IDFLVNZMUOWCRO-IBGZPJMESA-N 403.548 1.693 30 10 HDEE C=C1C[C@@H]1COC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850735586 DSQKOAABJLNEMR-CYBMUJFWSA-N 410.386 1.911 30 10 HDEE Cn1nc(-c2ccc(F)cc2F)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851628833 NWONPRQBBGQYHK-UHFFFAOYSA-N 409.400 1.989 30 10 HDEE N#Cc1cccnc1N1CCN(CCOCc2nnnn2-c2ccc(F)cc2)CC1 1853148996 VAGHYMXFORVRLJ-UHFFFAOYSA-N 408.441 1.407 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CCC(C(=O)N4CCC(C#N)CC4)CC3)C2=O)no1 1853743616 PNIHGECKCWJMPP-GOSISDBHSA-N 413.478 1.198 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2ccc(SC)cc2)C1=O 1854219013 LCYGYQWMNFWYAL-QZTJIDSGSA-N 401.532 1.797 30 10 HDEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)no1 1854244089 LKLBPANLGRQTEH-SFHVURJKSA-N 408.462 1.117 30 10 HDEE C=CCN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCC)C(=O)[C@@H]1C 1854258902 QBJMRZDNARUDSS-HNNXBMFYSA-N 407.474 1.918 30 10 HDEE COc1ccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854402156 ZHIAILDLRDDNRN-UHFFFAOYSA-N 405.476 1.075 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C)CC2=O)[C@@H]1c1ccc(C#N)cc1 1854522115 YGGUWKMUHOCKPZ-RBUKOAKNSA-N 400.504 1.252 30 10 HDEE Cn1cc(C(=O)N2CCC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)nn1 1855157630 OPZCYJOJHAQTFP-LJQANCHMSA-N 408.462 1.361 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2noc3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855188897 CLBAMUZPRZWELK-AWEZNQCLSA-N 406.442 1.981 30 10 HDEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856152308 CDTNZIKSHRYOSI-LBPRGKRZSA-N 413.883 1.410 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C(=O)C1 1856411942 MGBBBMMDJGQXAT-KGLIPLIRSA-N 414.453 1.994 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)C1=O 1856414386 BSXRLCCLHZFIAK-YJBOKZPZSA-N 400.454 1.932 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCN(C(=O)COc3ncccn3)C2=O)CC1 1856459134 PMNFMYRSXYNNDP-KRWDZBQOSA-N 406.446 1.129 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857098586 LSVIAZCIXUXWDM-LLVKDONJSA-N 420.397 1.293 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1857354609 SVHBHUKLUNOWSO-MRXNPFEDSA-N 402.886 1.319 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 1858324680 NCHBQKGWRDKDNV-QGZVFWFLSA-N 405.501 1.441 30 10 HDEE C=CCNC(=O)[C@H](CCCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861600402 PRTNALGFLSALFK-WBVHZDCISA-N 415.490 1.803 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccccc1C(=O)O 1862597978 QDVWCEMGLVZFCP-GOSISDBHSA-N 424.409 1.805 30 10 HDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCOCC2)cc1=O 1870561469 OFAHHNMXTBNCDK-NRFANRHFSA-N 411.502 1.701 30 10 HDEE C#CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006787 WWHMECMIOSEKKS-KRWDZBQOSA-N 417.487 1.299 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2CC(=O)NCCC)nc1C 1872649190 NPZGIWCXGLQNJS-UHFFFAOYSA-N 423.451 1.264 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)CCC1 2054403406 OUYNFRDXBKBRCL-KRWDZBQOSA-N 407.492 1.637 30 10 HDEE N#Cc1ncc(Br)cc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118091680 GLBVYDQYOKWKHR-APPZFPTMSA-N 420.189 1.074 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(O)C(=O)C1=CCS(=O)(=O)CC1 2232544116 YMTNOIGWWLQXPR-KSSFIOAISA-N 403.497 1.077 30 10 HDEE CON(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2247911127 STFDDQWRAHECHQ-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE Cc1c(C(=O)N2CC(N(C)Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255832837 SEUGXHITRBRWHN-UHFFFAOYSA-N 424.354 1.984 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282033383 SSDKYQSTAAAVMU-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1COCC1(F)F 2282313289 JIJPCAXXXUYHBK-LLVKDONJSA-N 409.285 1.668 30 10 HDEE CC1(C)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282340730 JFBBKCJXVWTAKM-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](CO)CC2)OC1(C)C 2282490510 JYMHRQPWASBCCW-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)C[C@H](CO)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491309 NIGBQGVAEQDDGB-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C=C(CS(=O)(=O)Nc1ccc(S(C)(=O)=O)nc1)B1OC(C)(C)C(C)(C)O1 2282493931 YLLRAFMPKLTMDP-UHFFFAOYSA-N 402.303 1.414 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H](C)C(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282505151 ZKRWWXAMPJURAU-VIFPVBQESA-N 402.347 1.158 30 10 HDEE CCN([C@H]1CCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282508295 ULJCDUOQALHQIT-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCC(S(C)(=O)=O)CC2)OC1(C)C 2282613914 OEYDMMKAGAOMFT-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CSC1CC(CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282849239 YFXZWGUHGUKGTH-UHFFFAOYSA-N 401.363 1.139 30 10 HDEE C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852826 UUZNKBXYELCDSE-OCCSQVGLSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(F)C[C@@H](N)C2)OC1(C)C 2282871310 FBRNZLHKUJYGSX-DRQUAOQDSA-N 404.338 1.296 30 10 HDEE CCN(CC(=O)N(C)C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282879284 RGDHBVBZDKAYDO-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284398988 DXRYZTSGHPOEEF-NSHDSACASA-N 401.315 1.663 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H]2C(=O)O)OC1(C)C 2284404415 YBRLLHZTJRBZRJ-GFCCVEGCSA-N 401.315 1.426 30 10 HDEE CSC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410921 XNQYNRKZBMNVRQ-LLVKDONJSA-N 421.371 1.283 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC(F)(F)CC(=O)O)s2)OC1(C)C 2284412189 ASCJCRZCVOZLOG-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE C[C@H](O)CN(CCN)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2285399162 ZIJWDEFEQWIXKZ-JTQLQIEISA-N 424.781 1.031 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccnc2)c(C)n1 2296610745 GFCKTMCLSDYAPA-IBGZPJMESA-N 423.473 1.242 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)c(C)n1 2296612001 RBYSAQXZORBJSI-LJQANCHMSA-N 423.473 1.242 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)C[C@@](NCCC#CBr)(C(=O)O)CO2 2324756344 YNMMPCUNBOBQQJ-IRXDYDNUSA-N 417.300 1.945 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2329035148 KVWBVQZNVWBYTI-CYBMUJFWSA-N 404.496 1.488 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2339666816 DKVPAWIUYXPHSY-UEXGIBASSA-N 422.547 1.957 30 10 HDEE CC(C)C1(C#N)CCN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2360632610 NAZWJSHNRCSIRF-CQSZACIVSA-N 401.529 1.713 30 10 HDEE CC(C)[C@@H](CO)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2367030759 WJNSLFVKUQKYAL-CQSZACIVSA-N 403.375 1.826 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1OCC[C@H]1NC(=O)OC(C)(C)C 2367786395 HSZMHGSPGQDOPT-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815507 LYFZJKKSIVDOHH-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2C[C@]1([C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2379659591 SUXYSLYYRLZGPL-XTDOFWJNSA-N 400.541 1.291 30 10 HDEE C#CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc([N+](=O)[O-])ccc21 13789655 HZRBASWNRQNYDN-ISLYRVAYSA-N 422.488 1.343 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(=O)OC)cc2)n1 22628889 ZZRONFZQISWGTO-UHFFFAOYSA-N 416.459 1.132 30 10 HDEE COc1ccc(C=NNC(N)=S)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1 254682189 BOZBDDFZXABGJJ-UHFFFAOYSA-N 422.488 1.588 30 10 HDEE Cc1cc(C(=O)N2CCOCC2)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427295919 QSHJCSOZWHYZIR-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(F)cc3C#N)cn2)CC1 443112002 RJJUIAGZGQASDL-UHFFFAOYSA-N 403.483 1.713 30 10 HDEE COc1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)ccc1S(=O)(=O)N(C)C 443330077 MXYQDEQOPCREAH-UHFFFAOYSA-N 422.507 1.330 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(-c2ccccn2)nc1O 465126545 FLSMCGIQSHEAAV-AWEZNQCLSA-N 401.430 1.862 30 10 HDEE N#Cc1ccc(OCCNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 466098058 ABDZDWLYKXROBF-QGZVFWFLSA-N 424.457 1.561 30 10 HDEE COc1ccc(-n2cc(CNS(=O)(=O)c3c(F)cc(C#N)cc3F)nn2)cc1 467158356 LRFHDXPXYZLAKD-UHFFFAOYSA-N 405.386 1.904 30 10 HDEE C=CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 468380373 CTKWDNKVAOGQAM-UHFFFAOYSA-N 423.535 1.240 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 473306155 UMLUDYJRBSBZPK-UONOGXRCSA-N 403.508 1.939 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F 481016700 AXSJEWQZWHDYFC-MRXNPFEDSA-N 417.510 1.722 30 10 HDEE N#CCCCOc1cccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 506599417 ASCGROCQOZEHMQ-UHFFFAOYSA-N 408.524 1.064 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 511410421 OKMIVJXFYUNLKS-RTBURBONSA-N 419.551 1.220 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1C[C@@H]1CCCO1 526082301 NZHYQHDFISAJDA-ZDUSSCGKSA-N 421.881 1.130 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CNC(=O)c3ccccn3)c(C#N)c2N)cc1 531225126 WTJLDIUSFRGKJA-UHFFFAOYSA-N 417.473 1.508 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@H](NS(C)(=O)=O)C1 532975464 UZKUYEVIUMFSQG-STQMWFEESA-N 410.565 1.839 30 10 HDEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 549693190 IHFSVZVZYBACBW-UHFFFAOYSA-N 416.489 1.813 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](c2ccc(F)cc2)O1 582756463 SDSPEZMPLTYHBL-AUUYWEPGSA-N 417.462 1.964 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)OCCOCC)cc21 586315915 ZNFBBKQOWMGWPC-NDEPHWFRSA-N 409.460 1.109 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(C(=O)N(C)CC(C)(C)C)c2)CC1 607621530 IECGYJMUVCZYII-UHFFFAOYSA-N 414.550 1.865 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1 610139554 JCDKLKVFOZDNMF-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCCN1CCCS1(=O)=O 611016772 NUXUEKJOXIRTRW-UHFFFAOYSA-N 411.427 1.281 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CCN2C1=O 675139781 AVORNAQIYWFLAH-IBGZPJMESA-N 403.442 1.982 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cccc(C#CCO)c1F 703975901 ZYKGYGPLGXPPOJ-UHFFFAOYSA-N 402.403 1.207 30 10 HDEE C#CCN(C(=O)CCCNC(=O)c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 729330912 HPQAFXPPDCWRRD-INIZCTEOSA-N 406.504 1.244 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 731128683 HIFUJBSGUZWYPK-UHFFFAOYSA-N 409.442 1.960 30 10 HDEE C#CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cs1)[C@@H]1CCS(=O)(=O)C1 731213598 HDVVJJHRAOSHRY-OAHLLOKOSA-N 419.528 1.880 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCc3ccccc3)nc2)CCN1C1CC1 732706504 ONYIMEVARGWTAR-IBGZPJMESA-N 405.458 1.798 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 734276635 FZFUFNSQRBRZEM-ZZEZOPTASA-N 408.462 1.978 30 10 HDEE CCOC(=O)c1cnn(CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1C(F)F 756874444 CLMBWUIMSJKETD-LBPRGKRZSA-N 405.409 1.827 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758644824 NCAHOPUJWKWSSP-DZGCQCFKSA-N 423.491 1.819 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)CCCCC1 760388983 UDXAUPPUZBBOLB-OAHLLOKOSA-N 404.492 1.350 30 10 HDEE C#CCN(CC)C(=O)C[C@@]1(C(=O)N(CC)CC#C)CCN(C(=O)OC(C)(C)C)C1 764878711 KOWOTINYASSZGN-QFIPXVFZSA-N 403.523 1.967 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)cc1 769228930 XRQXAJXAOPGDHL-JUJXNAJKSA-N 422.507 1.523 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@@H]1CCOC1)c1cc[nH]n1 772518042 MVQPNCIZTFYPAD-QAPCUYQASA-N 400.435 1.588 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1csc(-c2ccccn2)n1)c1cc[nH]n1 772527149 VOZRNQNNSXPSLB-UHFFFAOYSA-N 400.420 1.851 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(OC(F)(F)F)cc1O)c1cc[nH]n1 772639513 HSVXKFHCGPDSAW-UHFFFAOYSA-N 416.312 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)CC2(C#N)CCCC2)C1 779315381 SENZSZLGHJFJGO-UHFFFAOYSA-N 415.512 1.542 30 10 HDEE C[C@@H](CC(=O)Nc1ccc2ccc(=O)n(C)c2c1)/N=C1/NS(=O)(=O)c2ccccc21 785411921 YHHWRBYCRICYJR-ZDUSSCGKSA-N 424.482 1.994 30 10 HDEE C[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C1(S(C)(=O)=O)CC1 807110885 ZPFANJPVKDCQAL-AVGNSLFASA-N 400.501 1.010 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 812753306 FPXIOUNWRPEQGM-QGZVFWFLSA-N 418.446 1.756 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3cscc3C#N)ncnc1-2 815443915 NFVOGVCZXHBLFP-UHFFFAOYSA-N 406.269 1.274 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cscc1C#N 1124146102 FKGSJTPCRNOHEQ-UHFFFAOYSA-N 407.473 1.902 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1135185919 RWMRFXCKNNUWGQ-UHFFFAOYSA-N 422.503 1.532 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)cc1 1138054943 KHVSAPBNYMBFMR-UHFFFAOYSA-N 402.476 1.967 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCO1 1143528016 BCDKHCQJQXUIPE-NRFANRHFSA-N 400.479 1.929 30 10 HDEE COCCCN(Cc1ccncc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1144751944 AQJVVHMTGWKAJD-UHFFFAOYSA-N 402.476 1.297 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3O)cc2C1=O 1149378349 CTMYGHHUOGRUOQ-CVEARBPZSA-N 415.446 1.179 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC 1152760856 DMFJFLRILVPVNC-CABCVRRESA-N 411.499 1.113 30 10 HDEE O=C([C@@H]1CN(Cc2ccccc2)CCO1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161801886 FIPHPNYGCUNEJI-FQEVSTJZSA-N 423.469 1.792 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1175931605 FYILYGARSTYWRV-KRWDZBQOSA-N 421.339 1.847 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1 1183858194 SVNDVHRCIDODNF-OCCSQVGLSA-N 405.398 1.453 30 10 HDEE O=C1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCN1Cc1cccc(F)c1 1191084913 DVCZVZJDFHHDEC-UHFFFAOYSA-N 405.429 1.770 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 1194497327 IZMLFZFRBRADIX-AEFFLSMTSA-N 412.490 1.166 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN(CCOCCO)C2CCC2)CC1 1196039748 QIQUPQMBMOOSNH-NRFANRHFSA-N 418.513 1.398 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCc2c(sc(N)c2C#N)C1 1198414559 XFAQKWFBZTULHV-UHFFFAOYSA-N 413.503 1.632 30 10 HDEE C[C@H]1CN(Cc2ccc(CN(C)C(=O)NCCn3cnc(C#N)n3)cc2)C[C@@H](C)O1 1228010344 PILIUZGLKBAZCE-CALCHBBNSA-N 411.510 1.601 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 1233927444 HBKDANUQXGTOCA-MJGOQNOKSA-N 401.507 1.908 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCc2nccn2C1 1286400667 JDBHGYGKZFXEKA-AVRDEDQJSA-N 408.506 1.462 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCC[C@H]1C 1286457091 GEPCAHJVMQCPJS-COPCDDAFSA-N 420.554 1.956 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCC1 1286464613 CLYFQCAUYILPRM-MRXNPFEDSA-N 410.540 1.573 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCOC(C)(C)C2)CC1 1286483389 JBZNSFBYPGHSTQ-UHFFFAOYSA-N 414.598 1.877 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CC(=O)N(C)C)CC1 1286489548 XCKZBTPHZGSCML-UHFFFAOYSA-N 412.469 1.138 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1286592011 BMCJCAWZPWLGJO-QGZVFWFLSA-N 410.526 1.444 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1286613626 DAFMNMAQPRJMGH-LAUBAEHRSA-N 421.542 1.485 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1286688833 ZHAPPIDLVWUPSG-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE CC(=O)NCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1 1286965943 ZXUDRTUVEHUETA-KRWDZBQOSA-N 421.461 1.855 30 10 HDEE C=CCN(CCc1ccco1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1295674045 QPZYDVSGOPPXKC-UHFFFAOYSA-N 411.462 1.571 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296134637 ZJOVWSZIKFKANA-LQWHRVPQSA-N 419.549 1.640 30 10 HDEE CCO/C=C\[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1298576800 SRQMYSUFPVUJNY-JWLIFSNXSA-N 411.380 1.871 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C 1300219244 BRSPOMONFXKQPE-DYVFJYSZSA-N 414.487 1.118 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(=O)OCC)CC1 1300421574 KWUMCZMTTCIRIU-UHFFFAOYSA-N 416.526 1.871 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1300432368 VGAJXYLJZVMEQT-HIFRSBDPSA-N 414.441 1.615 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300485583 XFLBYZRSKUTITG-HOTGVXAUSA-N 407.565 1.578 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1300506809 ZMEGRDOMFYPUEQ-PGRDOPGGSA-N 413.522 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCN(C)CCOC 1300577911 FIIWBLDZUKMEBW-OAQYLSRUSA-N 423.517 1.832 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1300597518 KYQZGHVEYNHQPQ-UHFFFAOYSA-N 416.507 1.210 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C2OCCO2)c1 1300671039 ALQAGEUSHNJPTA-LJQANCHMSA-N 412.490 1.962 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@H]1CC 1300766441 CQFIEWUVZYRBHY-OAHLLOKOSA-N 404.565 1.715 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(N)=O)C1 1300869648 NJLWJSDWTCVHAJ-VQHPVUNQSA-N 407.515 1.295 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1300877780 ZSUOGXBJLIUSHH-BQFCYCMXSA-N 423.477 1.635 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H]1c1nncn1C 1301508737 SHRCTSWUHOGQTJ-OAHLLOKOSA-N 412.523 1.703 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1301510397 WRQPYMSMIUBOSX-AEFFLSMTSA-N 424.505 1.183 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1301612101 JSKQUGIAUIZBJR-INIZCTEOSA-N 412.581 1.882 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1302586740 ZUSHLMFQJUGLEO-UHFFFAOYSA-N 406.483 1.304 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1303770859 DXDJIQOVYWPGSW-PBHICJAKSA-N 419.507 1.101 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)n1 1307734816 AXUQWIOOGTXMPZ-NHCUHLMSSA-N 412.490 1.347 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 1309619387 CRXOBZONSPIMPA-CQSZACIVSA-N 400.522 1.881 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1313098373 TZZFGSJVIJXHOE-INIZCTEOSA-N 408.524 1.318 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cnccn3)nnc2N(CCC#N)CC2CC2)CC1 1313926572 DQMRKSFYTLBEOR-SFHVURJKSA-N 423.569 1.891 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1314099834 DCMMPXJEFUYHDO-HXUWFJFHSA-N 404.515 1.442 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CC#N 1314541303 AQRJMBCEYLVQML-JKSUJKDBSA-N 412.560 1.582 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)c2cccc(C(N)=O)c2)ccc1OC 1318787843 RUPQHDFHWZUTRV-HNNXBMFYSA-N 403.460 1.954 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(OC)c2)c1=O 1320162626 ATZHHNBKGVWDHE-UHFFFAOYSA-N 416.474 1.576 30 10 HDEE C=CCO[C@H]1CCN(Cn2c(=O)c3c(C)c(CCC(=O)OC)c(C)nc3n2C)C1 1325205582 CPIQKCBQRAHBLH-INIZCTEOSA-N 402.495 1.692 30 10 HDEE C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1339064387 CLPQZINLRMVZBJ-NIVDNSEKSA-N 420.491 1.031 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 1353197563 CVQPMHCQNAHILP-LBPRGKRZSA-N 414.853 1.763 30 10 HDEE COc1cc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1C#N 1356256463 UVIQNADUPMIUHR-FQEVSTJZSA-N 407.426 1.833 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1358918427 UOQMLDMRCYNVQV-WWMYMODYSA-N 417.510 1.668 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CCC[C@H]21 1358930633 ZHTFWSZAGOJIMT-KSZLIROESA-N 421.567 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(C)S(=O)(=O)CC 1358944104 HBURBMDXQIKBIQ-UHFFFAOYSA-N 419.507 1.415 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCCc1ccccc1 1358948681 IDQFZGFBPJYBBQ-IBGZPJMESA-N 416.547 1.899 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358961818 FRNNHNHFFDYCNA-BBWFWOEESA-N 410.540 1.081 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1358999642 YNBLGJDLSDMNBX-UHFFFAOYSA-N 422.331 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccc(C)n3)n2CC2(O)CC2)n1 1359027737 URRBAHMUGPKKTB-UHFFFAOYSA-N 421.505 1.656 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(=O)N(C)Cc2ccccc2)CC1 1359041451 WWYPYGBIBYUGCX-UHFFFAOYSA-N 408.506 1.211 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCOC(C)C)CC1 1359046231 JQOUWOJZIKVAIL-UHFFFAOYSA-N 410.522 1.655 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359292325 NADJDXBAFFRKKS-CQSZACIVSA-N 403.487 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](CC)C1 1359299222 YWSPNQYTFHTYIB-UONOGXRCSA-N 416.482 1.312 30 10 HDEE CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCCCO1 1441010195 MESBMSNIUUCVJO-GOSISDBHSA-N 405.520 1.986 30 10 HDEE C=CC1(CC(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CN(C(=O)OC(C)(C)C)C1 1447493577 BHHAFLSPNZNTNO-UHFFFAOYSA-N 405.455 1.261 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccc(F)cc1 1447633392 XZASUEISUXIOMI-UHFFFAOYSA-N 407.423 1.640 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2CNC(=O)NC)ccc1F 1454740079 FZFDJVASFCZSRT-AWEZNQCLSA-N 412.487 1.214 30 10 HDEE C[C@@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)n1cnc(C#N)n1 1462721761 LOHWTBULIDPZKN-LSDHHAIUSA-N 418.498 1.633 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cnn(C)c2I)c1 1467346950 NHSGBFGUEJXCKL-UHFFFAOYSA-N 423.214 1.766 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN(CC(F)(F)F)C1)c1cc[nH]n1 1468463151 HHWPUSISUXCYIB-LBPRGKRZSA-N 419.404 1.084 30 10 HDEE CCN1C[C@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1470255765 QQLLQSFEHIBXDT-OAHLLOKOSA-N 409.494 1.487 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1OCCc2sccc21 1470390675 JVJMENWBVNAUPB-BONVTDFDSA-N 401.448 1.151 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2[C@H]3CC[C@H]2CC(c2noc(C)n2)C3)cc1 1471444228 OFJGGOWNFYAREY-IRXDYDNUSA-N 414.487 1.840 30 10 HDEE C#CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)[C@@H]1CCOc2ccc(Br)cc21 1472696590 MMXNNWSRXLJUCK-CQSZACIVSA-N 415.247 1.671 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3c(sc4ncnc(N)c34)C2)c1 1473346089 DHCHTBHZSQGMMB-UHFFFAOYSA-N 406.471 1.961 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(C(=O)OC)cc1Br 1475545311 VQVLLRSLLQPNCF-GFCCVEGCSA-N 404.282 1.942 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NCc2cccc(OCC#N)c2)CC1 1477870218 CEWAIDWYFKKWSN-MUUNZHRXSA-N 407.492 1.575 30 10 HDEE N#CC1(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)CC1 1478543928 SXTOVLBVSIWXGY-CYBMUJFWSA-N 424.242 1.777 30 10 HDEE CCOCCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1503176792 LVMKXUQJADEDBW-XLIONFOSSA-N 407.515 1.864 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCCCCO)CCO1 1505321633 CZNKORKFHDXJLJ-AWEZNQCLSA-N 402.455 1.287 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(SC)CCN(C)CC1 1507542064 NXRFYPDYRWMPDP-INIZCTEOSA-N 404.584 1.686 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1507574325 NXRIQTKMPYOMEC-UGKGYDQZSA-N 412.538 1.910 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCCN1CCCO 1507617677 YFGOPNXJJAQQSN-XLIONFOSSA-N 411.506 1.707 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCO[C@@H](C)C1 1507713772 WSLLRFXKCLUMFZ-ROUUACIJSA-N 403.527 1.692 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507803587 HTPORHIYXPUCKX-ZBFHGGJFSA-N 402.499 1.342 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507842829 MYDXFIFBPOWNTH-INIZCTEOSA-N 413.482 1.339 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1507951709 HRVTWTLGEUFMSO-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1508010322 QRGDNWJYNSNWGB-AWEZNQCLSA-N 422.559 1.462 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCSC2(CCOCC2)C1 1508079605 AHRLKHQTEVVHCY-UHFFFAOYSA-N 415.523 1.140 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCS(=O)CC2)cc1 1508100045 BTIAFMPPGDPNIX-KRWDZBQOSA-N 402.520 1.964 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nccn2C(F)F)C1 1508129855 FQCLZMJLLDRULQ-CQSZACIVSA-N 421.452 1.822 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@@H](C)[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)C1=O 1526435881 RNAKIIVGLPJLOV-RDBSUJKOSA-N 422.482 1.208 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1529707107 IDYINKGKKLVPCF-UHFFFAOYSA-N 405.524 1.100 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1530022388 UMPVEQSSNYNOOB-NVXWUHKLSA-N 418.519 1.796 30 10 HDEE C#CCN(C(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1530297274 IIQWUXPRTXSQMX-MRXNPFEDSA-N 401.463 1.763 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1532448397 INQOZNQLQXYWED-LLVKDONJSA-N 419.912 1.470 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCNC(=O)c3ccccc3F)CC2=O)cc1 1533487075 KDZWXRFQCSIZMS-MRXNPFEDSA-N 408.433 1.987 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccnn2CC(F)(F)F)c1 1535259837 VATWONSISMULQM-UHFFFAOYSA-N 420.391 1.932 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539079295 RSKBDVJSKFDIBS-JKSUJKDBSA-N 409.556 1.462 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1539224364 GAJLRAZDWOKGLT-XJKSGUPXSA-N 423.564 1.295 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1539259487 CZIBZNCEPIUFII-GOSISDBHSA-N 404.474 1.052 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCn2ccnc2C1 1539284708 SMRCOSIQQMANFT-HBFSDRIKSA-N 408.506 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539332649 YVBOPUNVPNILAI-HSZRJFAPSA-N 402.502 1.738 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539352400 XVECXSLVDRSYJQ-FQEVSTJZSA-N 402.520 1.517 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1540125966 DHTDQDFPGRREIC-AVRDEDQJSA-N 410.522 1.488 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1540873226 RLISTNBMOVXGIG-GOSISDBHSA-N 406.494 1.641 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@H](COC)C1 1540876147 IWEPGQXPGNGXQK-JFIYKMOQSA-N 405.543 1.972 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1540890760 JONZLSJHNRYCJK-DLBZAZTESA-N 416.526 1.317 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCN2CCCS2(=O)=O)C1 1541991452 ADBGWIBOZXZPAZ-QAPCUYQASA-N 408.528 1.295 30 10 HDEE CCOCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1548277091 ASOWJPBGNSNERH-DOTOQJQBSA-N 412.498 1.543 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)(C)C 1555625873 HERXPUSJYFRQHT-HNNXBMFYSA-N 406.531 1.904 30 10 HDEE COCCOCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1555724388 LFJRWGUWCMNQRQ-SFHVURJKSA-N 415.494 1.866 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)c1 1556647232 AEBKCQYIBUDBKA-AWEZNQCLSA-N 417.409 1.499 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)c1 1557618445 GEYUSMKTGVYSFB-GOSISDBHSA-N 420.512 1.550 30 10 HDEE Cn1nccc1[C@H](NC[C@@H](O)COc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 1559964241 PMKDVKRUQCAXHA-APWZRJJASA-N 400.479 1.898 30 10 HDEE COC(=O)[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]([C@@H]2CCCO2)C1 1560165546 OHDYHQFIEIOHAR-UXPWSPDFSA-N 410.470 1.719 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1569857032 CGLGVPSNSHFIET-GFCCVEGCSA-N 408.863 1.960 30 10 HDEE N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1586653598 KZTKFGXSQRMHQR-HZPDHXFCSA-N 409.471 1.894 30 10 HDEE N#Cc1cccc(ONC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1587204975 FHUFACYJPVWGPF-UHFFFAOYSA-N 403.416 1.108 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(C)CN(C)C1=O 1588200132 DOEKMIQQCOEJKI-HSZRJFAPSA-N 421.501 1.904 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1Cc1nnnn1CC1CC1 1589150715 JIHWMPHGWOUFRN-FOIQADDNSA-N 414.514 1.439 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)CC1 1594096493 BYOLNPGWUABPCO-KBPBESRZSA-N 402.467 1.761 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC[C@@H](C(F)(F)F)O1 1594204821 UCKXNPXRPKJFOI-RISCZKNCSA-N 419.425 1.684 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)COC)CC1 1594448379 DLJCUVADIMFMDP-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1594812822 KYQHJFUNQDGWKD-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1595689676 WQQPPDVDSOKDBV-INIZCTEOSA-N 416.432 1.979 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1595719791 IYPSMNKJYIRGNO-RDTXWAMCSA-N 402.476 1.447 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1595905460 LDWJDZAFBVKGQN-SZMVWBNQSA-N 423.583 1.978 30 10 HDEE COC(=O)[C@H](CC1CCOCC1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1598315762 VWHLMPYIVDYYRD-INIZCTEOSA-N 404.467 1.546 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1611251785 FMASAIMGBBMJTM-PMACEKPBSA-N 414.506 1.716 30 10 HDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 1611771736 YOIBEZNFROVFOR-UHFFFAOYSA-N 416.463 1.638 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1613282161 MQQSHJKRSCLLCQ-LTDXQCTPSA-N 402.499 1.933 30 10 HDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Cl)c(Cl)c1 1614708162 IZBJGWVTDLLWIK-JTQLQIEISA-N 411.245 1.058 30 10 HDEE NC(=O)[C@H]1CCCN(Cc2cccc(CNC(=O)c3cccc(C#CCO)c3)c2)C1 1616897806 VOFUNXLHJQWBEY-QFIPXVFZSA-N 405.498 1.658 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(=O)N(CC)c2ccccc2)c1 1622567185 HRWPMONHVBVQEW-UHFFFAOYSA-N 401.488 1.934 30 10 HDEE CN1CCN(CC2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1628387199 HJKBOMZVKCWCAW-GOSISDBHSA-N 407.559 1.669 30 10 HDEE C[C@@H]1CCC[C@@](C#N)(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1628602751 MWOSWVYEHKKFCX-AUUYWEPGSA-N 407.492 1.715 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1628661825 CRRXSNWVFUHMGX-GOSISDBHSA-N 401.488 1.645 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 1632484463 KYTYACUBUROUPU-MRXNPFEDSA-N 412.508 1.978 30 10 HDEE COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1632997073 BOZZOPJBSMHBMJ-SJORKVTESA-N 403.284 1.433 30 10 HDEE CCNC(=O)c1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C)s1 1634415389 QPHOMIYTIOBRGM-NSHDSACASA-N 420.516 1.983 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)CC1 1635160784 XALSAXBJXMZQOJ-UHFFFAOYSA-N 411.506 1.858 30 10 HDEE N#C[C@]12CN(C(=O)NCCOc3ccc(Cl)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1635697737 BWPSZIZDBFKHIU-MEDUHNTESA-N 418.302 1.952 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1636464597 OZMGQGFCQZESCZ-DNZUHHBVSA-N 422.482 1.045 30 10 HDEE O=C(Cc1ccccc1S(=O)(=O)C(F)F)NC[C@@H](O)C(F)(F)C(F)(F)F 1636671476 SXUGPTMRUQDGES-SECBINFHSA-N 411.295 1.900 30 10 HDEE N#Cc1c(CCCNC(=O)NC2CN(c3ccncn3)C2)nn(-c2ccccc2)c1N 1637869456 ODISBGNLCZFXIL-UHFFFAOYSA-N 417.477 1.237 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NC(C)(C)Cc1ccc(C#N)cc1 1638851079 SUUYUAJVPXFJFY-AWEZNQCLSA-N 417.535 1.713 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C1 1640431358 GJTJUMUQSVQJPE-HUUCEWRRSA-N 420.457 1.780 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)c1 1641101559 VQWSCMQNMBINME-OAHLLOKOSA-N 409.508 1.631 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1641662118 LEVAASSGPOUEIR-UHFFFAOYSA-N 413.499 1.967 30 10 HDEE N#Cc1cc(Br)cnc1NCC(=O)NCC(=O)NCc1ccccc1 1643163365 DFQLRHKGHJXKRG-UHFFFAOYSA-N 402.252 1.560 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]cc2C(=O)NC2CC2)s1 1648676872 OFSJVNRXBUMSNO-UHFFFAOYSA-N 409.493 1.009 30 10 HDEE C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)Cn1cc(C#N)c(I)n1 1652061255 WREZGDKUNDJNPF-KOLCDFICSA-N 415.235 1.764 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(F)(F)OC(F)(F)C2)ccc1F 1652211479 NTVDIOBYOIGZIX-UHFFFAOYSA-N 400.325 1.948 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCC1)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1653978640 WNKUOFRMECFBBN-HYVNUMGLSA-N 416.526 1.664 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)o1 1655097217 HJPLQTUPHRYFHV-QZTJIDSGSA-N 411.510 1.238 30 10 HDEE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656343186 IQKKEPICUCZNAQ-XMZIXOGTSA-N 412.855 1.445 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)C(F)F)C1 1664119137 DPFDKZGNCUPAIE-LLVKDONJSA-N 408.448 1.693 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1664763936 CSIMEVJEDXEAGP-OAHLLOKOSA-N 402.538 1.690 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)n1 1670951120 QLGBRDFSJWHNAZ-UHFFFAOYSA-N 420.491 1.609 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1)C1CCOCC1 1674596351 DNIIHLKRROPSAT-LJQANCHMSA-N 406.571 1.540 30 10 HDEE C#Cc1ccc(CNC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1682509096 LPNVXSFDHKAYQI-QGZVFWFLSA-N 412.490 1.687 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1685441628 UJANXGHTKHDUNV-UHFFFAOYSA-N 406.556 1.784 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1689979629 FHDBIBXVQLCKNS-QZWWFDLISA-N 410.540 1.285 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690019724 QFKBOYYZCZANBY-UHFFFAOYSA-N 420.517 1.203 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@@H]1CCCCO1 1690032903 LWAONDUMBJLCKC-MSOLQXFVSA-N 421.567 1.701 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1690047097 LJEOHLACRMYGQM-RBUKOAKNSA-N 408.506 1.646 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OCC)CC1 1690179135 OBYSGZDNJKNIOY-UHFFFAOYSA-N 414.535 1.909 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H]21 1690219311 BFFBOKALVTVSPU-SDDRHHMPSA-N 404.334 1.786 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@@H]1C 1690220332 WNFQVBLPWSIAIK-STQMWFEESA-N 416.320 1.578 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1690516232 BXBPAAQIBBVGOV-VQIMIIECSA-N 412.556 1.908 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCN(c2ccccc2)CC1 1690523232 WXHGCXFNEDBOPH-UHFFFAOYSA-N 420.521 1.650 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCC2 1698134128 BVNLOOHSCNZUFJ-HNNXBMFYSA-N 414.514 1.718 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCc2cnn(C)n2)c1 1705505540 PVZYZWGZEQBHNJ-UHFFFAOYSA-N 418.505 1.973 30 10 HDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705562878 LXRMKLNKXMLVPC-SFHVURJKSA-N 416.547 1.905 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCCO1 1705588101 VSMSLZZXIXFOND-LJQANCHMSA-N 413.522 1.563 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCO[C@@H]1CCOC1 1705676417 AMDNARGCRPPXJO-DYESRHJHSA-N 401.511 1.588 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705806254 ABMJBLLKSGAPQR-MRXNPFEDSA-N 424.571 1.494 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1705815325 RYYHAEFGMCZGKK-SFHVURJKSA-N 413.478 1.634 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1706935205 NNHLBUDPEITYPF-QAPCUYQASA-N 407.540 1.879 30 10 HDEE CCc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709082035 NODVPWSMFYCILV-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1709830651 UUMYHOYCOHYTLW-ZWKOTPCHSA-N 421.505 1.448 30 10 HDEE COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1712154052 IAPKVVRFZGDHIL-QGZVFWFLSA-N 422.493 1.528 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1712884178 HZCVBGLNIHQFIY-LSDHHAIUSA-N 402.480 1.036 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnn(C)n1 1722283086 QGHXSHURUQWOPR-CQSZACIVSA-N 410.482 1.771 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1722334926 IEOXHGVDHAFYQY-UHFFFAOYSA-N 421.505 1.401 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1722336295 JUFGUSAFTBKXHA-GOSISDBHSA-N 424.480 1.894 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCCS1(=O)=O 1722354132 JQLNDDGJHSGURV-KRWDZBQOSA-N 412.519 1.553 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1722640344 LTCYIUZEKMMARX-QGZVFWFLSA-N 423.514 1.615 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(CC2CC2)CC1 1722701027 CVSZICVQUWEQGX-UHFFFAOYSA-N 408.550 1.898 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC[C@H]1C 1730406747 NQDUHCBAVQNSIQ-DNVCBOLYSA-N 422.493 1.767 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCO)c1 1730994811 PGUWAVMENSGACH-LJQANCHMSA-N 421.498 1.953 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)C1 1731181554 HYWDPYGNBSZNMW-KUHUBIRLSA-N 402.405 1.717 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC=C 1740537640 GABYRIXUKMXMIS-VQIMIIECSA-N 410.540 1.377 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740654185 IPHWIUYWLAVHEH-FQEVSTJZSA-N 412.582 1.882 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCC(=O)N(C)C)CC1 1740702594 TUISFHHBFSPVRX-INIZCTEOSA-N 402.543 1.626 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740716304 WADHTYLSRDAWQM-UHFFFAOYSA-N 423.502 1.657 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1740786790 OMEUDYWHGDYIMX-UHFFFAOYSA-N 404.559 1.885 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnnn1C 1740914148 MUQWUHORDBLQPD-SFHVURJKSA-N 422.493 1.607 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 1740978846 DBSUZDZROCOPST-CVEARBPZSA-N 402.499 1.069 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1740989875 BBPFAALLOPRBPD-DLBZAZTESA-N 418.523 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CO)CC1 1740993309 XDWIMOIEDKTFEX-UHFFFAOYSA-N 405.524 1.073 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1743208568 OMZJAIYYFNFOFZ-INIZCTEOSA-N 412.494 1.558 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1748045726 JZKMGSNOYUUXPT-DNVCBOLYSA-N 400.870 1.806 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCN(C)C 1748685373 YWAAJSQUYJFDBK-GOSISDBHSA-N 424.549 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1748689421 CABCVIFHRXXJAU-YRPNKDGESA-N 418.586 1.486 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748755316 JZQMHNZKECOCIJ-UHFFFAOYSA-N 409.519 1.931 30 10 HDEE C#CCN(c1nnc(C)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1748805766 VSIZWRFHWKQCST-WFASDCNBSA-N 409.537 1.425 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C(=O)NCC)cc1 1748824666 GQQZSJIBKIIJOR-UHFFFAOYSA-N 406.490 1.287 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@H]1CCC(=O)N1 1748825543 YYSYSKWDBKCHEI-GOSISDBHSA-N 404.474 1.499 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1748917367 WINYFRLCVWDDFM-UHFFFAOYSA-N 400.874 1.627 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ncnn2C(C)(C)C)CC1 1748983752 CEBLREQPDIXSFC-UHFFFAOYSA-N 405.510 1.490 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCC(=O)NC)CC1 1748993947 RHGPUCTWCBBXOZ-UHFFFAOYSA-N 405.506 1.242 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1748999032 GDNCFZWLWWQJEU-GOSISDBHSA-N 412.469 1.468 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749120527 FQLAHMCRMYNSKG-AEFFLSMTSA-N 411.510 1.388 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(CCOC)C1 1749155976 OGJKOCGTHCVAKB-JKSUJKDBSA-N 404.515 1.127 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CC1 1749286474 MIVDVACSOKHGCH-HNNXBMFYSA-N 419.555 1.554 30 10 HDEE COC[C@@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1749306885 CDGAWLWKEHIXFM-DOTOQJQBSA-N 424.509 1.105 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749664515 PUROFELBRZLLKF-QHCPKHFHSA-N 424.549 1.857 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccnc1C 1750008806 QIMXXFNGELLRFB-JKSUJKDBSA-N 401.471 1.072 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCO)CCN1C1CC1 1750387412 YIFYDZRHLJOQLK-KRWDZBQOSA-N 424.509 1.265 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1=O 1750836428 BRCMOVWJLVWQNY-UHFFFAOYSA-N 419.493 1.298 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCn1cc(CO)nn1 1760104200 UCZYKCRXNCGYHW-CQSZACIVSA-N 410.438 1.485 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1760183179 OULBCSAPIVWPNB-DOTOQJQBSA-N 421.567 1.477 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1760190239 USUXQBBCZUWGLZ-MRXNPFEDSA-N 420.539 1.120 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1760193343 XLWWHFOYJHOLFF-UHFFFAOYSA-N 413.522 1.420 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCn2ccnn2)CC1 1760269802 PEJDVOGRVVJIPO-UHFFFAOYSA-N 410.526 1.583 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760283624 UYDDRRXNXGMIKM-HXUWFJFHSA-N 416.551 1.412 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1760516126 JZFPSHVUNCLBIM-XOBRGWDASA-N 404.515 1.807 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCC(=O)N2CCCCC2)C1 1760541369 AWFMMVSHMOVBHQ-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC(C)(C)C1 1760548062 XSOOXXUMOFFUIF-MRXNPFEDSA-N 423.583 1.987 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCCCOC 1763095346 AXRQYPIYJFWBGZ-UHFFFAOYSA-N 400.531 1.897 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)cc1OC 1768531699 IYLPGLZXGGSJGB-SFHVURJKSA-N 424.505 1.953 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC[C@@H]1C 1770657735 JVTLXSYUDGJVHX-YJBOKZPZSA-N 422.493 1.767 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)CC1 1770753641 LOLUXNHADSDBBW-SFHVURJKSA-N 416.526 1.945 30 10 HDEE C=C(C)CN(CC)C(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1772543060 GKAGJFIJOOPXGS-IURQCIJFSA-N 401.551 1.900 30 10 HDEE O=C(CCn1nnc2ccccc2c1=O)NCC#CCN1CCc2ccccc2C1 1850063367 YTFYEVQZOVPMBR-UHFFFAOYSA-N 401.470 1.360 30 10 HDEE C=CC(C)(C)NC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850783581 UNIBGPMNNGOYJK-UHFFFAOYSA-N 411.418 1.873 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C(=O)C2)C1 1853741251 LAVDRFIDUPAHRY-APWZRJJASA-N 414.481 1.110 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(c4ncccn4)CC3)CCC2=O)cc1 1853793579 RQJLPQIEICDEKV-SFHVURJKSA-N 404.474 1.549 30 10 HDEE N#Cc1cc(C(=O)N2CCN(Cc3nnc4n3CCC4)C3(CCCC3)C2=O)ccn1 1853976700 DSIMBRKTAMPWLP-UHFFFAOYSA-N 405.462 1.288 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc3nccnc3n2)CCN1Cc1ccc(C#N)cc1F 1855030270 BQIHCRKEDVOYAH-CYBMUJFWSA-N 404.405 1.909 30 10 HDEE Cc1cnn(C)c1C(=O)N1CC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855457528 JNXPUMMHTBFGKS-IBGZPJMESA-N 407.474 1.885 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCCN(C(=O)[C@@H]3COCCO3)C2=O)CC1 1855708050 RYQZETPMTOHASN-PMACEKPBSA-N 411.502 1.867 30 10 HDEE CC[C@H](C)C(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855845709 ZFHGELLGISEHOG-DOTOQJQBSA-N 418.519 1.038 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cncc(Cl)c1 1855971721 FYVFEUWUXAMZLR-UHFFFAOYSA-N 418.862 1.999 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 1856624810 AYPJWMUGGAYRNB-IEBWSBKVSA-N 417.531 1.835 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CC(c4nnc5ccccn45)C3)CC2=O)cc1 1856680347 ZCBLZSFQPNNPQK-MRXNPFEDSA-N 400.442 1.689 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccnc2OCC)C1=O 1856748089 FCAOXBXZGCHVRF-IAGOWNOFSA-N 400.479 1.330 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857051066 UVBDTHJBGBELFF-YJBOKZPZSA-N 414.506 1.651 30 10 HDEE Cc1cccc(OCC(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1857108765 APKNRYZQBRSRCS-IBGZPJMESA-N 406.442 1.531 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@H](F)C2CCCC2)C1=O 1857150989 LWZMWJVRAHCALL-DLBZAZTESA-N 400.458 1.124 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1=O 1857259267 XSQGGAKCDHGDNO-KRWDZBQOSA-N 405.520 1.334 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@H]1CCN(C)C1=O 1857284375 NPGSJKMOTHJKLW-WBVHZDCISA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2cc(C)ccc2C)C1)[C@H]1CCN(C)C1=O 1857316131 FVSOJRWSGUSXOF-MOPGFXCFSA-N 413.518 1.776 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCCCO3)C2)CC1 1857384412 LYBOLQORZUPURQ-HKUYNNGSSA-N 411.506 1.410 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)c1 1870099681 RWRZDDHPQBTAKF-UHFFFAOYSA-N 412.387 1.795 30 10 HDEE C=CCN=c1[nH]c(=NCc2ccc(OC)cc2)[nH]c(=NCc2ccc(OC)cc2)[nH]1 1871740349 KBZTUBZGGKIYKW-UHFFFAOYSA-N 406.490 1.977 30 10 HDEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874345299 HOIWQJOOLHROBH-SRZZPIQSSA-N 413.459 1.770 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)O2)C1 1881582970 RJQASYCBQVFOEJ-AWEZNQCLSA-N 402.403 1.909 30 10 HDEE Cc1cnc2n(c1=O)C[C@H](C(=O)N1CCC(Oc3ncccc3C#N)CC1)CS2 1891906792 QGYXIJXSFUAODS-HNNXBMFYSA-N 411.487 1.610 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(F)cn1 1903633866 JNBPICDLCPKKPY-GFCCVEGCSA-N 411.283 1.817 30 10 HDEE C#CCO[C@@H]1CCCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 1962771516 LCQNRXMGYIYEKP-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE C=C(Br)CS(=O)(=O)NC12COC(CNC(=O)OC(C)(C)C)(C1)C2 1982281393 JWXIDVDGZRJJQK-UHFFFAOYSA-N 411.318 1.641 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995110133 RURYKPUGBTVMMS-UHFFFAOYSA-N 401.272 1.847 30 10 HDEE Cn1cc(Br)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 2058153681 XSVDERGSODCTQM-CQSZACIVSA-N 424.324 1.581 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2174778902 COYCYGLGMUWFST-OAGGEKHMSA-N 401.529 1.822 30 10 HDEE Cn1[nH]c(CCNC(=O)OC(C)(C)C)nc1=NS(=O)(=O)c1ccc(C#N)s1 2183098749 QQQBJPQJZFTMMD-UHFFFAOYSA-N 412.497 1.038 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@@H](CC(F)F)C1 2183436983 JXXMGPGLOCYDMQ-OLZOCXBDSA-N 408.471 1.653 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2243663955 JXSUYLAYLSNNFS-UHFFFAOYSA-N 424.332 1.503 30 10 HDEE COC(=O)[C@H](CC(=O)NCC=CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243684474 AFCGXSUIQWWJCS-ZDUSSCGKSA-N 412.292 1.747 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244555452 NTPDUJXFHLTIPM-LSDHHAIUSA-N 408.304 1.810 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247837748 XJUCGCJJOJTHGW-UHFFFAOYSA-N 410.327 1.980 30 10 HDEE Cn1cc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247914881 SBYKNFSAZUQQAW-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE C#Cc1ccccc1CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270537397 KAQAZXVNUVUIBL-GOSISDBHSA-N 416.455 1.467 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CC[C@H]3N)cc2Cl)OC1(C)C 2271976467 XMMNGUDTOSOREN-GXSJLCMTSA-N 406.766 1.716 30 10 HDEE CO[C@@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282306733 RFMPHWIKPPYICJ-MRXNPFEDSA-N 405.347 1.031 30 10 HDEE CC(C)[C@H]1NCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335891 VXIBNQQHHFNLOS-ZIAGYGMSSA-N 400.375 1.712 30 10 HDEE CC1(C)[C@H](O)CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491507 LQIGNDPYJOUBBT-CQSZACIVSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[S@](=O)CC2)OC1(C)C 2282495569 OAGHGYHAJGHJDY-VWLOTQADSA-N 419.399 1.332 30 10 HDEE CC[C@H](C)N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503763 FPENSOFIVGGLQJ-ZDUSSCGKSA-N 403.375 1.970 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N=[S@@]2(=O)CC[C@@H](N)C2)OC1(C)C 2282505191 AAJLZKFGMIOKPN-XELLLNAOSA-N 420.387 1.076 30 10 HDEE CCc1nc(C(=O)NCCN=S(C)(C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282515393 QUUCCASIRBTOPI-UHFFFAOYSA-N 401.363 1.462 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2282524800 LSFPWYMKDJOWDD-UHFFFAOYSA-N 414.236 1.107 30 10 HDEE CC(C)[C@H](O)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282830283 RGEODNHHAKMVNE-CYBMUJFWSA-N 404.363 1.221 30 10 HDEE C[C@@H](CCCCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839143 ZNJDHHIQOHDVAX-LBPRGKRZSA-N 404.363 1.413 30 10 HDEE CC(C)N(CC(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284398911 DDXPOZXNFVSKHF-UHFFFAOYSA-N 403.331 1.672 30 10 HDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccn1 2296940726 GIZRRFKBHAEGOL-LJQANCHMSA-N 409.442 1.836 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)c1nc(Br)nn1CCOC 2308010931 RDZWSGZNCPLNGV-JTQLQIEISA-N 401.261 1.786 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1F 2330718072 UQEMIUJNAWOZTC-UHFFFAOYSA-N 406.487 1.896 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C2(C(=O)O)CN(C(=O)OCc3ccccc3)C2)CC1 2345144530 KGDOWEJLGGTPNS-SFHVURJKSA-N 400.479 1.628 30 10 HDEE Cn1cc(C#C[C@H](N)[C@H](O)c2ncc(Br)cc2Br)cn1 2366118387 LEGQGQINKIARFY-AAEUAGOBSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](C#CC2(S(C)(=O)=O)CCC2)OCC(=O)O)CC1 2367788074 MTPCQPHOAOHGLY-CYBMUJFWSA-N 401.481 1.484 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@H](N)C#CC2(S(C)(=O)=O)CC2)OCC1(C)C 2367800560 KTXCKUGYRKVVKG-HUUCEWRRSA-N 400.541 1.699 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367808330 BWHKAMDPXLSNMH-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367813216 AYARCIIFPSNWAG-KXBFYZLASA-N 400.541 1.437 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(C)cc2Br)CC1 45606683 YLQLIMHCGBIBJT-UHFFFAOYSA-N 409.328 1.616 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@H]1c1ccco1 72472426 ONWJWLBDQGVPSX-MLGOLLRUSA-N 419.397 1.970 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](C)n2cnc(C#N)n2)CCN1C(=O)Cc1cccc(Cl)c1 409768132 NGLDCKYQYAYRGR-UONOGXRCSA-N 400.870 1.666 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)s1 435444015 UNVPKMCJPPKOGQ-UHFFFAOYSA-N 409.514 1.385 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(Cc3nccn3C(F)F)CC2)cc1 440368887 VDYOPJHOELBHKH-UHFFFAOYSA-N 409.462 1.741 30 10 HDEE Cn1cc(-c2noc(CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)ccc1=O 445609272 VJBDBZSJHNGXPH-HNNXBMFYSA-N 404.386 1.365 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCN(CCOC)C(=O)C2)cc1 470607704 RTTZGDZRNQXLQL-UHFFFAOYSA-N 424.523 1.206 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4ncsc4c3)CC2)c1C#N 472206832 BFBRUKNJKJOERD-UHFFFAOYSA-N 402.505 1.721 30 10 HDEE CN(C)C(=O)CCN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 473210960 WFGZSUIQRIXJIL-UHFFFAOYSA-N 417.579 1.923 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)CC1 476290540 USUVLTCIIFGCPM-KRWDZBQOSA-N 403.502 1.424 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)[C@@H]3CCCOC3)n(C)c2=O)cc1C 478842818 GCZUFKOCTVBYLX-MRXNPFEDSA-N 412.511 1.571 30 10 HDEE CS(=O)(=O)N1CCC(CS(=O)(=O)N2CC=C(c3ccc(C#N)cc3)CC2)CC1 480922591 BLZSRKRLEIVTFB-UHFFFAOYSA-N 423.560 1.649 30 10 HDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508801588 MAXLIWIFRJZMHY-UHFFFAOYSA-N 412.538 1.952 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccccc2C#N)c1=O 522110452 VVOGXCFFEMVUOR-UHFFFAOYSA-N 415.478 1.376 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(Cl)cc2C#N)C1=O 542122683 LMQBMUCSBWVADR-CQSZACIVSA-N 407.883 1.415 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1-c1ccccc1F 546874938 GKLHAZFDZBAAJU-UHFFFAOYSA-N 418.432 1.909 30 10 HDEE Cn1nc(-c2ccsc2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 568454204 CGVDFJOQPVRZON-UHFFFAOYSA-N 401.473 1.937 30 10 HDEE C[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 573245583 LFUJUVSDCFVPJT-PYJZQUQOSA-N 411.458 1.084 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3cnccc3C#N)CC2)NC(C)=O)cc1 579866816 ILAGYZDLECLKPY-HXUWFJFHSA-N 407.474 1.878 30 10 HDEE CCOc1ccc(/C=C/C(=O)N[C@H]2CCN[C@@H](C(=O)/C=C/C(=O)O)C2)cc1OC 585833534 DFBDRNBANRVHHT-ZXOAIUNOSA-N 402.447 1.554 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(Cc2ccc(C#N)cc2Br)CC1 589296774 MQMUBJBSXZZPBU-UHFFFAOYSA-N 401.330 1.635 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@@H]1CCCO1 603924080 MUAFZUPGZVEZGM-KRWDZBQOSA-N 411.527 1.461 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)c3cc(C#N)c(SC)nc3O)cn2)CC1 604093466 BQAVIOZJVNKTML-UHFFFAOYSA-N 412.519 1.848 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)N(C)C)CC1 604161327 YWCHSLIJEKKWJA-HXUWFJFHSA-N 401.555 1.481 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)cn1 609640405 HCOHWNPLBUHZAE-UHFFFAOYSA-N 410.377 1.517 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669808857 GWWKFOYOAJAZCM-LNLFQRSKSA-N 420.558 1.177 30 10 HDEE NC(=NO)c1cc(Br)cn(CCn2cc(Br)cn2)c1=O 692367025 VDHCDLJOEAIUPR-UHFFFAOYSA-N 405.050 1.365 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729671779 OSMNEKLPLKOMRC-UHFFFAOYSA-N 407.499 1.019 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)cc2)C[C@@H](C)O1 732429018 FJXDMSXBXDOELX-GFUWFAGDSA-N 413.478 1.948 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=NOCC(=O)N(C)CC3CC3)CC2)cc1 733191810 PDVODPZKKQVMAD-UHFFFAOYSA-N 409.508 1.721 30 10 HDEE CN1C[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCC1=O 738907019 TUETTWAELOINPR-HDOZFUISSA-N 407.496 1.242 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(Br)c1 742278952 OWLPWFCJPUTOCE-GFCCVEGCSA-N 406.323 1.569 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 751580464 LNJXQVLTLKLXKH-NRFANRHFSA-N 408.543 1.470 30 10 HDEE C[C@H](CC(=O)O[C@@H]1CC[C@H](S(C)(=O)=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 752217520 IOGMPXJSJJWMFF-UPJWGTAASA-N 414.505 1.013 30 10 HDEE CSc1nc(O)c(C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1C#N 755868448 XREQPOVXDPSWGS-UHFFFAOYSA-N 424.426 1.425 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 756685774 HLLZXKJACFAYGM-YVYDFMBMSA-N 414.462 1.047 30 10 HDEE Cn1ccnc1[C@@](O)(CC(=O)Nc1cnn(-c2ncccc2C#N)c1)C(F)(F)F 764430972 STOWVVSURCJCCK-INIZCTEOSA-N 405.340 1.651 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)s1 765145324 PBMYJXDWDUVRQH-UHFFFAOYSA-N 412.496 1.583 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@@]2(C)NC(=O)OC(C)(C)C)CC1 765561049 YJKNBVBRESWDLG-VGOFRKELSA-N 422.570 1.906 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767881393 OBDBAVBWEKONSI-UHFFFAOYSA-N 422.535 1.540 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769637906 KPPYIRRAWYGURH-JTQLQIEISA-N 411.452 1.830 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 771793685 IAPVUVXJVXIILY-GOSISDBHSA-N 416.503 1.162 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O)[C@H]1CCS(=O)(=O)C1 774248305 QICDYWLBSWTZRT-JKSUJKDBSA-N 409.895 1.277 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)c1ccc(S(=O)(=O)N(C)C)cc1 776142304 KVIVGTRUUZOVAK-LBPRGKRZSA-N 401.510 1.036 30 10 HDEE Cn1c(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nnc1C1CCC1 783091433 AVFTWBGYDDPTFF-UHFFFAOYSA-N 403.464 1.255 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)CCCCN3C(=O)c4ccccc4C3=O)nc12 784956973 VHGYDQBUTYXMCX-UHFFFAOYSA-N 419.397 1.816 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 790105479 LFCLPTFZSNRMJZ-GOSISDBHSA-N 408.458 1.010 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@]2(CNC(=O)C2)C1 790163451 BPKSFSGFRXIIFN-YWZLYKJASA-N 418.519 1.023 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)CN2CCOCC2=O)n(C2CCCC2)c1C 790729381 MBRDGCYSBWOBFP-UHFFFAOYSA-N 402.451 1.432 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 802996110 CZSAGAYHOPRWTI-UHFFFAOYSA-N 423.466 1.796 30 10 HDEE COc1cc(C#N)ccc1OCCOC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 805498368 QKSBMKYYRCUQKX-UHFFFAOYSA-N 407.448 1.817 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2Cc2ccccc2)CC1 917186738 PZHLDLKBFNOCBU-UHFFFAOYSA-N 413.547 1.470 30 10 HDEE COCCOc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C3CC3)c1=O)OCO2 920773310 MWGVSYPWTAMRFV-UHFFFAOYSA-N 411.439 1.025 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)n1 1084248016 YMGFAAWRXAWPAQ-UHFFFAOYSA-N 420.528 1.711 30 10 HDEE Cn1c(=O)c2cc(C(=O)NCCSCc3ccccc3C#N)sc2n(C)c1=O 1124587631 IQEUSJRRQQNITE-UHFFFAOYSA-N 414.512 1.834 30 10 HDEE C#CC[C@]1(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1130618838 PBQCKJJAHGQGLE-HXUWFJFHSA-N 402.451 1.065 30 10 HDEE N#C[C@]12CN(C(=O)CSc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1134429230 UAANKVXWEDLXEP-ZUZCIYMTSA-N 415.880 1.737 30 10 HDEE CC[C@@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 1136281740 NTXNFRRNCZOJDO-GICLCMKGSA-N 420.495 1.114 30 10 HDEE CC(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1136570388 GQLLPNLVJLNTMR-GOSISDBHSA-N 415.519 1.329 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#CCO)c1 1136902387 XAWNNHGOPNXOQF-UHFFFAOYSA-N 402.472 1.932 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@]1(C)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1139176126 SMJKODQEDURFOP-UTKZUKDTSA-N 404.463 1.896 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1146221959 VRZXIOJOVYZMAT-LIRRHRJNSA-N 417.487 1.023 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(C(F)(F)F)CC2)cc1 1157932678 VOAWNQXYTNLMFB-UHFFFAOYSA-N 419.425 1.656 30 10 HDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1159761433 DQTHHJIULFRNFN-AWEZNQCLSA-N 404.410 1.216 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1 1161921391 GTQASXKZXSGIPV-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc2c(c(C#N)c1=O)CCCC2 1166246117 AEPYKXCGYGEMBQ-FQEVSTJZSA-N 405.454 1.725 30 10 HDEE N#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1197629020 ACMZQPDFLYTKRP-HNNXBMFYSA-N 410.927 1.408 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(C#N)c(F)c2)CCO1 1230109825 PPAUSANQPHCTNC-HXUWFJFHSA-N 407.442 1.966 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3cc(C#N)ccc32)CC1 1230202267 YVXWHZQDIZEJOX-IBGZPJMESA-N 420.535 1.629 30 10 HDEE Cn1ccnc1C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1233595026 LTUBNLTXYCVDDD-QGZVFWFLSA-N 419.445 1.104 30 10 HDEE N#C[C@@]12CN(C(=O)NCCOc3ccc(Cl)c(F)c3)C[C@H]1CS(=O)(=O)C2 1248719191 VSYRPOPZLOYRKH-ZBEGNZNMSA-N 401.847 1.438 30 10 HDEE C#C[C@H](NC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)c1ccc(Br)cc1 1252457799 FOVONSICRMBRLL-JENIJYKNSA-N 422.323 1.648 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)CC3(C#N)CCOCC3)CC(=O)N2C(C)(C)C)cn1 1279060584 AAJPEHGYTAOCLP-BEFAXECRSA-N 401.511 1.935 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286386465 AEAOYZFJHVOCJF-QZTJIDSGSA-N 415.563 1.830 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1286431195 MRUWFUUMMYAGRC-LJQANCHMSA-N 416.489 1.659 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1286448154 QLNUETFRGJQXDF-UHFFFAOYSA-N 420.525 1.571 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCNC(=O)C(C)C)CC1 1286484188 FTQCAOJQPWQIGH-UHFFFAOYSA-N 424.549 1.693 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC(S(C)(=O)=O)CC1 1286609832 RSPZRCUCAJMBFK-UHFFFAOYSA-N 419.551 1.870 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(N)=O)C1 1286667013 GMMVBHKNOGFKGX-KBPBESRZSA-N 412.560 1.192 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1286721583 ZDTASEORWGOPPW-UHFFFAOYSA-N 402.480 1.675 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1286734669 UPYMGLYLYZTZEQ-OAQYLSRUSA-N 412.494 1.627 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(O)cc2)C1 1286801590 ZYGATDXIAJAWAY-YOEHRIQHSA-N 421.523 1.424 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1288999816 SNBBEPRZPULHIT-RDJZCZTQSA-N 412.469 1.651 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1293110629 CDGSGZFCTYEDET-AWEZNQCLSA-N 405.455 1.069 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCOC(=O)N2)CC1 1293136112 CPTDGOUJJBKREL-CABCVRRESA-N 407.268 1.656 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1297969653 ATBGUUOSUPMGHZ-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21 1300392724 IFQVWDCJXHPNLI-KRWDZBQOSA-N 410.386 1.384 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)nn(C)c1OC 1300553607 LMKXKDYFIQZYQZ-UHFFFAOYSA-N 423.521 1.330 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1300619369 WRLFOZRYJCLEFN-JOCHJYFZSA-N 406.490 1.813 30 10 HDEE C[C@@H]1OCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(F)(F)F 1301104383 NTRSDEBPUMXJDG-HZMBPMFUSA-N 405.398 1.293 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301459127 QMQGKNKJRBZPRP-IFXJQAMLSA-N 406.483 1.603 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1301611949 IWRCQACJCWKILX-KGLIPLIRSA-N 414.553 1.099 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1301622342 FLEARIKRFPMUEK-KXBFYZLASA-N 409.556 1.564 30 10 HDEE CS(=O)(=O)NCCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1302501386 SJJIKJXZUYNPHV-UHFFFAOYSA-N 424.477 1.436 30 10 HDEE CSC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1302634731 OQGGKHJCCOWHJR-BEFAXECRSA-N 407.540 1.943 30 10 HDEE C[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)[C@@H]1O 1307918713 JMLWAGKIVJGHGF-QWHZDKJVSA-N 413.478 1.404 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC(=O)NCC23COC3)n(-c2ccc(F)cc2)c1C 1308058333 SZQIIKBNQABSMV-UHFFFAOYSA-N 411.437 1.244 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2=O)cc1 1312487741 YTWCXXWIFDEIBY-SJLPKXTDSA-N 405.462 1.740 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)nn1 1312898369 MSLRSPVHAOOCDS-HNNXBMFYSA-N 424.383 1.745 30 10 HDEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1314576833 LIEOQABQFDQYFK-DMKXZODTSA-N 409.556 1.901 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1339042675 BIRLPOGXNZKLQU-AEFFLSMTSA-N 423.535 1.019 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC(C)C 1350250372 NQDIRSQVHBSCQM-HNNXBMFYSA-N 410.492 1.472 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)c1 1358185714 FSOAUJVCRHDAPY-UHFFFAOYSA-N 413.499 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1358894499 PZMJJSQAINIOCW-ZDUSSCGKSA-N 419.411 1.653 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1358946119 JNXVBHNMTZFJFQ-UHFFFAOYSA-N 421.505 1.784 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358963074 BGWBABPBZSKPKI-KRWDZBQOSA-N 402.520 1.857 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(CCS(C)(=O)=O)C1CC1 1359054523 YLSZJTRAVVUSRW-UHFFFAOYSA-N 407.565 1.663 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359057012 PZQMEVQFSFVMGR-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCOC1 1359273880 RUYJAFWLKOZLGC-IBGZPJMESA-N 403.508 1.599 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@H](CC)C1 1359297595 VRSMXAAYBRGVQP-QGZVFWFLSA-N 413.526 1.189 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359301278 VVOUVGJEOXJMEP-KRWDZBQOSA-N 406.575 1.716 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(OC)c2)CC1 1359303078 CVYDOUGXUKSHFN-UHFFFAOYSA-N 410.522 1.868 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)CC)C1 1359318471 GDFKTSNWXNLWSK-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@H](C)C1 1359336255 JRNDKIPYPSKGQU-NCOADZHNSA-N 412.556 1.695 30 10 HDEE Cn1cc(C(=O)Nc2nc3n(c2C#N)CCS3)c(I)n1 1359975619 XEDCDHQBHBEHLO-UHFFFAOYSA-N 400.205 1.451 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCN(C(=O)OC)CC2)c1 1434895175 OJVQEKDXCDMBMH-UHFFFAOYSA-N 413.474 1.338 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1436660106 UCJYAPDRHSTQIP-GXTWGEPZSA-N 400.294 1.720 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NOc1cccc(C#N)c1 1454684479 OQMXVLAOZBVGRC-UHFFFAOYSA-N 417.443 1.312 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(OC(F)(F)F)cc1 1458439422 LHRKMOHZRXNCOV-NWDGAFQWSA-N 410.312 1.280 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCC)[C@H](COC)C(=O)OCC)cc2C1=O 1458964160 LQGQOPQAPWLIFP-QGZVFWFLSA-N 402.447 1.899 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)ccc1F 1460696380 AUOWDJSDANIWAM-UHFFFAOYSA-N 402.407 1.547 30 10 HDEE Cn1c(=O)c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3C#N)n(C)c2n(C)c1=O 1460822129 ZIXBGUUPOSIGJV-UHFFFAOYSA-N 421.335 1.598 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CC(CC)(CC)CNC(=O)OC(C)(C)C)CC1 1462538587 YTWIPKRJQBTKIA-UHFFFAOYSA-N 416.588 1.403 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2nn(C)cc2I)CC1 1464746449 CLSWAHZYCSNFFQ-GFCCVEGCSA-N 401.252 1.331 30 10 HDEE C[C@@]1(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)N1 1467700481 RAVIQMZHVHREQQ-WMZOPIPTSA-N 410.927 1.521 30 10 HDEE N#Cc1cn(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn23)c(=O)nc1O 1468658248 WPGHXWXSUPYUCZ-UHFFFAOYSA-N 401.386 1.559 30 10 HDEE CN(CCCn1cnc2c(N)ncnc21)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1469142621 CEPOFLBKOPFVMH-QGZVFWFLSA-N 404.478 1.798 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)cc1 1471088831 MPPRRZVSZQIIBQ-YOEHRIQHSA-N 410.492 1.239 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([C@@H]3CCCC(=O)N3)c2)cc1 1471910663 DYVJMAGMKZDMMI-SFHVURJKSA-N 412.471 1.816 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C2 1479160049 RNRYYTKYXZQBNS-NRFANRHFSA-N 424.526 1.883 30 10 HDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1500778219 GPNJVWVGEONNDH-IBGZPJMESA-N 422.537 1.762 30 10 HDEE CO[C@H](C)Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503939990 KLBJFGGNOBRJON-CQSZACIVSA-N 405.462 1.834 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1505144801 MGVWWHUISYAVOK-GOSISDBHSA-N 414.535 1.536 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1507525891 JNKYGIBOODPUKT-AWEZNQCLSA-N 422.938 1.996 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1507610743 MOFABFSSWYDFRQ-UHFFFAOYSA-N 407.482 1.295 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1507625823 LHMVKXLFRKBPBT-KRWDZBQOSA-N 418.519 1.669 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1507643823 ZLGXAGJVZMLWKS-INIZCTEOSA-N 420.477 1.461 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507657681 WPJDPPFFEVBTJZ-LEWJYISDSA-N 408.502 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)on1 1507713856 ZICCTNFCSHKLPS-UHFFFAOYSA-N 414.491 1.700 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CC(N)=O 1507810570 XHFKEQNCEBTLLP-VPWXQRGCSA-N 415.542 1.821 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CN(C)C2=O)CC1 1507902761 NIBGSWGTQUZEGU-KXBFYZLASA-N 407.540 1.061 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508165117 QGUVROASMLMCQF-GOSISDBHSA-N 416.551 1.524 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C1 1510285745 HZXYOFCABUYKGA-OXJNMPFZSA-N 402.499 1.450 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1516992535 KJKOFVMJFNKGAP-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@H](C)O1 1518947536 XCEYPZHCTKBZHY-MAUKXSAKSA-N 413.478 1.494 30 10 HDEE COc1cc(CNC(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)ccc1C#N 1520629390 NIJSJAPHAOMUND-MRXNPFEDSA-N 401.463 1.763 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 1531586926 QDTLAENZSKXEFV-FQEVSTJZSA-N 411.479 1.889 30 10 HDEE C#Cc1ccc(CNC(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)cc1 1533826287 PBUBDBZVXFZTSF-UHFFFAOYSA-N 411.527 1.745 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1535921994 DGLVSTCZHNRZAU-VQTJNVASSA-N 407.467 1.117 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC12COC2 1537145299 IMUFIDVVLOCJKH-QGZVFWFLSA-N 420.487 1.416 30 10 HDEE C=CC[C@]1(C(=O)NCc2nnc3c(=O)n(C)ccn23)CCCN1C(=O)OC(C)(C)C 1537250249 ZLBLKEMLSSTLJV-HXUWFJFHSA-N 416.482 1.390 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 1537491622 KHVNWFJVFJKQGK-FQEVSTJZSA-N 423.535 1.956 30 10 HDEE Cc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1538382125 RBUSNVOLJJFBRK-UHFFFAOYSA-N 402.300 1.273 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CN(C(=O)OC(C)(C)C)C1 1539025220 GNAMFLOONXEMNG-OAHLLOKOSA-N 416.526 1.725 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539110900 IJWRXKBHUNINPX-UHFFFAOYSA-N 402.524 1.662 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1539204112 YWKZXFQATUJITI-FVNWOWOISA-N 421.567 1.789 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1539369307 JJROSDJXGVWNNJ-CRAIPNDOSA-N 402.520 1.741 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1539408905 HPDGNMJHKKQZLV-GOSISDBHSA-N 423.525 1.167 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1540003553 PZTZRWGVIWIKNL-UHFFFAOYSA-N 417.491 1.876 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@](C)(CC)C1 1540862216 VONJKOZSZKDMHM-HXUWFJFHSA-N 406.531 1.504 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1541087390 UNUOJGDFDXJVCM-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)[C@@]3(C#N)CCCOC3)CC2)cc1OC 1543340156 OUXNBWNEXJLOCU-OAQYLSRUSA-N 401.463 1.745 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1543760289 HMAOCPOZOTXQIM-UHFFFAOYSA-N 402.520 1.494 30 10 HDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1544249062 BVJWFECTAFORLJ-KRWDZBQOSA-N 423.521 1.491 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3[nH]c4ccccc4c3C#N)C2)cc1 1547445640 RMTHJMOZWDSLMH-UHFFFAOYSA-N 410.455 1.851 30 10 HDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1548244191 DTWIYTVJJAVONK-GOSISDBHSA-N 423.521 1.854 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1 1552889985 FHPLVSNZSAQKOK-IBGZPJMESA-N 417.539 1.285 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1CC(=O)N1CCOCC1 1555556270 ALXOOEUXXFNYPO-UHFFFAOYSA-N 416.457 1.309 30 10 HDEE COCc1ncc(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)c(N)n1 1556743388 HLZPCNZQLOCNCV-UHFFFAOYSA-N 412.299 1.743 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21)c1cc[nH]n1 1557396013 XVWUVTFXHUZAMM-DZKIICNBSA-N 420.466 1.274 30 10 HDEE C#CCN(Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1)CC1CC1 1559658521 KOGMBBCPPNMTBY-UHFFFAOYSA-N 403.460 1.332 30 10 HDEE C=CC[C@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccncc1 1565780320 IOLWBWKALTUOOL-KRWDZBQOSA-N 408.462 1.549 30 10 HDEE Cn1cc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(I)n1 1583983944 BQHIDHDUXCDEJL-LLVKDONJSA-N 423.214 1.585 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1cc(F)cc(F)c1)c1cc[nH]n1 1584634091 UISALCTYTNCPML-MRXNPFEDSA-N 422.388 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1587574699 KQLMXRRCEBRCQO-AWEZNQCLSA-N 422.938 1.996 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCc1c[nH]nc1C 1588078089 ATNRJLUONXPWMG-UHFFFAOYSA-N 402.462 1.663 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cc[nH]n1 1588099492 OHOIVVZDRIXFQY-UHFFFAOYSA-N 418.417 1.079 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1588128608 PRJBVJHGTIODIL-FQEVSTJZSA-N 413.485 1.595 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1588271543 LODNNRVBOGJRPW-YLJYHZDGSA-N 404.511 1.933 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1588279829 CJAYKZNJOHCJSI-DLBZAZTESA-N 400.479 1.962 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc2cccc(F)c2[nH]1 1588436903 FSWHXSNSTBMSEI-LLVKDONJSA-N 401.423 1.557 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1588811860 NDCJBGIZJXDIFM-PGRDOPGGSA-N 401.555 1.869 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N(C)C)CC1 1588877003 QWYBLQLBSFTLKZ-GUDVDZBRSA-N 402.587 1.902 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1589070106 QMLQYOCMVKUGKQ-RBUKOAKNSA-N 419.595 1.697 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cc(O)ccc1O 1593867803 DRXFBMHPCZKIHD-INIZCTEOSA-N 417.487 1.867 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1593932004 BYELQIMMZBNDQB-KXBFYZLASA-N 424.933 1.627 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCn1ccnn1 1594942840 GCQLPHZOXNJTTI-UHFFFAOYSA-N 405.466 1.496 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1597083123 IOMHCWGRRHJAOA-UHFFFAOYSA-N 400.483 1.510 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1598070246 SBMCDBRMOLQBGF-HUUCEWRRSA-N 424.498 1.244 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1598209140 ZAWIGSZZMRWGDH-AWEZNQCLSA-N 403.460 1.089 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(O)(C2CCC2)CC1 1598637402 VUIAHUDESBLKHR-UHFFFAOYSA-N 405.520 1.659 30 10 HDEE C[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612895149 JMMHEFHFUDPTDX-STQMWFEESA-N 422.511 1.405 30 10 HDEE CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1614914813 FPSAOKQFAZNZEY-OAHLLOKOSA-N 420.477 1.991 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1615993432 WWOADJQDVKMPSL-UHFFFAOYSA-N 408.422 1.527 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)c1OC 1616488696 RYSLCDDZJNBAQH-HNNXBMFYSA-N 408.418 1.584 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1617728052 CWOJPNHCQQXTFD-KRWDZBQOSA-N 415.519 1.745 30 10 HDEE N#CCC(=O)N1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1618012121 QCFQCEMVMVYVFJ-QGZVFWFLSA-N 424.423 1.225 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)[C@H](COC2CCC2)C(=O)OC)c1 1621922680 ILGBYCMBWIXHSH-QGZVFWFLSA-N 410.492 1.334 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1cccs1)N1CCCC1)c1cc[nH]n1 1623431369 OPPMIHZRTMDRFI-HNNXBMFYSA-N 419.507 1.708 30 10 HDEE C[C@@H]1O[C@H](C)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1C 1624230007 ADDHQFFUWNHEKY-ZTENYAIWSA-N 405.520 1.887 30 10 HDEE C=CCC[C@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1624304396 VMNYIKYCQNFPIF-IBGZPJMESA-N 417.506 1.955 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1624893778 JJBWRYTUFPHQFI-CQSZACIVSA-N 417.487 1.514 30 10 HDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)NCc1cc(F)c(C#N)c(F)c1 1625871342 KOMRRQUUYCJBMK-UHFFFAOYSA-N 411.386 1.431 30 10 HDEE CC[C@H](Sc1nc(CC(=O)NCCNc2ncccc2C#N)cs1)C(N)=O 1626860954 KDHMPPWPSFBIHT-ZDUSSCGKSA-N 404.521 1.537 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1627412950 WTPVCWLWVMZBOU-INIZCTEOSA-N 420.535 1.512 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CCN3CCOCC3)CC2)c1 1627700048 WEHQGTPPQDMRLW-UHFFFAOYSA-N 423.510 1.697 30 10 HDEE N#Cc1cn(CC(=O)N2CCC(c3nc(-c4ccncc4)cs3)CC2)c(=O)nc1O 1628575395 QULJQKGVINIQLC-UHFFFAOYSA-N 422.470 1.745 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1628754231 LTGPIZAASJMDDK-KRWDZBQOSA-N 407.474 1.595 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCCN3CCC[C@@H]3CO)CC2=O)cc1Cl 1631273184 GEKAYUARSIAHIU-SJLPKXTDSA-N 418.925 1.918 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)/C=C/C(=O)c2ccc(C)cc2)c1 1633148314 MZEUWPRBRCSAAZ-ZHACJKMWSA-N 415.471 1.397 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccnc(-n4cncn4)c3)CC2)c(F)c1 1637632459 VTJAXWBGZACLAI-UHFFFAOYSA-N 406.425 1.705 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)C1=O 1639594539 NOWWCYGAJFIIHD-CKJXQJPGSA-N 407.511 1.505 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cnc(I)c(O)c2)C1=O 1639594918 VVXLOLOSQFODNX-SNVBAGLBSA-N 401.204 1.251 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](C)c2cccc3ccccc23)c(=O)n1CCO 1641368437 GQAVTMKOTABEAY-AWEZNQCLSA-N 406.442 1.213 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N(C)Cc2ccccc2)c1 1641574139 GDEKFXSRTBUUMJ-QGZVFWFLSA-N 402.472 1.240 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)c(F)c2)C1 1642815598 DJNNYXZPFHVQDZ-INIZCTEOSA-N 419.482 1.754 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(c3cc(C)no3)CCOCC2)c1 1643003891 XBHXZHCEGJEBLF-UHFFFAOYSA-N 405.476 1.883 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1Cl 1644166696 FXJBUEXHBJYNRP-QGZVFWFLSA-N 424.954 1.735 30 10 HDEE CN(C)CC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1646016162 ALCPNUURDVKJIQ-KRWDZBQOSA-N 415.519 1.319 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCCCN2C(=O)OC(C)(C)C)C1=O 1646547520 JUZQVRQSQLXUBP-AWEZNQCLSA-N 422.482 1.259 30 10 HDEE C#CCN1CCC(NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 1652172473 DCAPXUAYERCRHC-UHFFFAOYSA-N 418.563 1.632 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3noc(C)n3)CC2)cc1 1652359723 RBZUYZWGXCSSTQ-UHFFFAOYSA-N 402.476 1.384 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCCC1 1652864611 ZURYGMDTYDYNNS-CYBMUJFWSA-N 409.936 1.564 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2nnc3n2CCN(C)C3=O)c1 1654765544 HGAANDBPSNUGDD-KRWDZBQOSA-N 423.521 1.748 30 10 HDEE C#CCC1(NCC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CCC1 1655669244 FKTLTYMIAXIZQQ-UHFFFAOYSA-N 423.517 1.858 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1cnc(C#N)cc1=O 1656674788 FHNVTDJHGMYUKT-UHFFFAOYSA-N 415.475 1.237 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1659177087 CBMFLFKGIRUDJG-SFHVURJKSA-N 415.559 1.353 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1669019127 SLSIBRRZKCLTBV-QGZVFWFLSA-N 417.487 1.679 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1670678448 GBVGBELYLGYXDL-WOGUSJMUSA-N 403.504 1.734 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 1673626395 UARGQTRXSKWSIU-HZPDHXFCSA-N 406.508 1.171 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 1683763630 SRFVGOALOLWBPE-WDYCEAGBSA-N 407.478 1.884 30 10 HDEE CO[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCSC1 1684262580 FHAUNJRSHOXXCX-GOSISDBHSA-N 424.548 1.096 30 10 HDEE N#Cc1csc(CNC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)n1 1684394111 REVLLEANLKLFQC-ZDUSSCGKSA-N 423.495 1.806 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1684862749 CXXPUEYEZVZIEL-QGZVFWFLSA-N 419.503 1.177 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)[C@H]1CCCO1 1686184650 NHLRAJYEABEYQS-XOTSOKPUSA-N 420.506 1.720 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CC=C(c3ccc(C#N)cc3)CC2)n1 1687716566 WEQISNWDKYMLDL-UHFFFAOYSA-N 400.464 1.220 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1689824053 GNAKRCBBDRVXFJ-SFHVURJKSA-N 415.586 1.246 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1689824327 MVCRIZMOBWKFBL-MRXNPFEDSA-N 417.535 1.738 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)c1ccccc1 1689824732 WDOOKPIEQHHJOS-OAHLLOKOSA-N 403.508 1.348 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C(C)C 1689860791 HLTONMZNVDHLGY-OAHLLOKOSA-N 416.551 1.890 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1689926050 HCRZVCYVRYQLLC-SFHVURJKSA-N 404.474 1.699 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CCC 1689929904 GUHONLCLSAGLID-DLBZAZTESA-N 411.572 1.897 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1689987901 FAFPUCIMBCJYSR-INIZCTEOSA-N 401.492 1.234 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689992702 NYMMNUIEBYBEBX-INIZCTEOSA-N 423.583 1.408 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1690010139 XNGLBPHKNGLDEJ-UHFFFAOYSA-N 421.457 1.029 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690299292 MJFNZZOYDNWMDZ-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1690516675 PBBHIWQRZRUSME-HXUWFJFHSA-N 401.515 1.919 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/c1ccccc1 1690526697 BYSXDHYYQPLNLP-MZEUMTGBSA-N 417.535 1.947 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)CC)C1 1690733646 JZNGJGOEQSYHKN-HNNXBMFYSA-N 408.572 1.831 30 10 HDEE C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)c1nccs1 1692693694 HXJMBWUCRYCHOF-STQMWFEESA-N 423.568 1.888 30 10 HDEE C[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCCO1 1693758026 BTEYBCHPGXWGEP-QWHCGFSZSA-N 408.484 1.016 30 10 HDEE COCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1698002510 YIRUYYYUTVICTO-HXUWFJFHSA-N 414.489 1.931 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1705493576 KYASFQANNWKNFJ-SJLPKXTDSA-N 408.506 1.572 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1705561409 PWLGWXXBYDNJMC-VQIMIIECSA-N 408.524 1.280 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705561842 UXEWTDCKBVCWBG-KRWDZBQOSA-N 418.519 1.617 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](OC)C(C)C)CC1 1705652781 NFHJXFCBUKLJAC-QZTJIDSGSA-N 403.527 1.766 30 10 HDEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1705850707 FNVDIRLEGWTCSM-HXUWFJFHSA-N 402.520 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](COC)C1 1705898342 IVBTVDNSQWCVKX-HNNXBMFYSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccc(Cl)cc2C1 1705901752 VPXQOJITVBHHQW-MRXNPFEDSA-N 414.897 1.748 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC=CCC1 1705903105 QHRGBVOQKNMDBN-CVEARBPZSA-N 407.540 1.275 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCCNS(C)(=O)=O)CC1 1706936734 IHUJGRHOUFRKDU-UHFFFAOYSA-N 422.580 2.000 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1707669413 ILKILGFRWVOHCC-LJQANCHMSA-N 420.473 1.816 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1711072480 CUEMLAPMDDYHJP-UHFFFAOYSA-N 420.481 1.099 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1712616119 UFAIVQGXOXHQAK-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(C(=O)N(C)C(C)C)CC1 1719866987 NPLVUSJBYMKJFT-ZBRFXRBCSA-N 403.523 1.473 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722335575 FPRVAQFTLLEPKI-GJZGRUSLSA-N 400.508 1.985 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](F)COC)CC1 1722437443 MVKBRQCXABJNRI-QFBILLFUSA-N 415.469 1.530 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)CC1 1722437741 WLIPCYQAJVMUCH-SFHVURJKSA-N 412.469 1.203 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722459075 BTCSBJLZWQYBOW-ROUUACIJSA-N 419.595 1.838 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OCCOC)CCOCC2)CC1 1722558927 DLEBUJMQCGFROZ-UHFFFAOYSA-N 421.542 1.785 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1722575771 WJMIURXQVDLBFJ-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1722632535 XPQSBXVMHAXWHS-UHFFFAOYSA-N 417.333 1.597 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1[C@@H]1C[C@H]1CF 1723611927 GJDAXDKBJNMCPD-JKSUJKDBSA-N 412.473 1.540 30 10 HDEE C#CCCCC(=O)N1C[C@@H](O)[C@H](N(Cc2ccccc2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1739481891 FUIZUSUWDAMFPI-ASPUVNIQSA-N 422.525 1.814 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCN1CCCO 1740603852 IGMUHFDOBPKBJX-SFHVURJKSA-N 413.522 1.879 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740786847 QJGMYOSBTLZIRV-UHFFFAOYSA-N 413.526 1.815 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740847549 LSPMHKGGQYJLIY-FGTMMUONSA-N 416.570 1.988 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1740880363 GIEPYRPUGZJXQB-FIKGOQFSSA-N 421.542 1.782 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740966132 PSJCORQRVNAEPV-HZPDHXFCSA-N 418.542 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@]2(CCOC2)C1 1740989460 NPDDBHNTVBTDEM-IBGZPJMESA-N 405.524 1.501 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740990125 JKJNVQMEGLCHQM-BEFAXECRSA-N 421.523 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740994351 PXZLFDYCFAATMZ-ABSDTBQOSA-N 424.567 1.908 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1741000657 URANASPHHYNVHC-SFHVURJKSA-N 420.564 1.669 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1741113492 FACRXZRCVLVSBG-LJQANCHMSA-N 423.521 1.695 30 10 HDEE CC(=O)NCCCn1c(C2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1741117348 WLTKCVCXXNMSAB-UHFFFAOYSA-N 407.522 1.876 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c(C)c1 1742223021 CUEOADJBWLWDHW-BEFAXECRSA-N 420.514 1.995 30 10 HDEE CC[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1743587437 JNZZDZBTFFFSOG-KIJUOZEOSA-N 412.498 1.651 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1743679317 QDQFQMHHZKZABU-GFCCVEGCSA-N 404.496 1.371 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](COC)OC 1747129519 GJRQJKVFGZMDKK-HNNXBMFYSA-N 402.455 1.011 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1748731055 ZPHMLYJCIHZZMX-HZPDHXFCSA-N 407.478 1.586 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748805817 WNPPKEPNTDVSHA-HZPDHXFCSA-N 423.539 1.261 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCOC1 1748883264 ZBNKBIDGACXVMI-HSZRJFAPSA-N 416.485 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1748892213 LGZCMOQOANQYCK-QGZVFWFLSA-N 414.535 1.042 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(O)CCCCCC2)CC1 1748978195 NTSVVZMYUBVFAM-IBGZPJMESA-N 419.570 1.843 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OCC)CCCC2)CC1 1748990953 NILIHECCMKVFAB-KRWDZBQOSA-N 400.527 1.334 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)c2ccccc2)CC1 1748994780 QRXMBLSCJCRXIP-FQEVSTJZSA-N 422.533 1.543 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC[C@H]2COCCO2)CC1 1749004132 FMRGPSXCHSDYBK-AEFFLSMTSA-N 403.527 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2csc(COC)n2)CC1 1749015396 VCLROTLEZVYKQC-UHFFFAOYSA-N 402.524 1.458 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749040078 LUELOQOGIAHKCH-SFHVURJKSA-N 412.563 1.983 30 10 HDEE CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC[C@H]1C 1749196719 XEPAAYJXRVSNRO-DVOMOZLQSA-N 422.511 1.262 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749629998 MOKJXLWWQHMQKR-IAGOWNOFSA-N 420.539 1.085 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1749671815 KCFYORNJZHFZPR-OXJNMPFZSA-N 414.558 1.396 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749767363 WGNRTWAOKCVLBM-HUUCEWRRSA-N 415.585 1.567 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1749978578 GPPYFFFOQQLOQO-SFHVURJKSA-N 418.505 1.951 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1750256004 DGBMAYIHKBJQAG-XJKSGUPXSA-N 412.585 1.914 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1750644949 ALZPDCGGSUKIKN-QGZVFWFLSA-N 422.537 1.909 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1751176232 AUKQJLFKHOGWDR-GFCCVEGCSA-N 403.468 1.061 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760188672 LLVOEMVBSUMLSG-LPHOPBHVSA-N 423.608 1.220 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1760238389 UAWLJOIMCONYPS-QGZVFWFLSA-N 410.526 1.263 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760260439 SFGNEHMKDUYRSP-GOSISDBHSA-N 410.497 1.394 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCOC)CC1 1760438072 XNSSPQUDAKBQPR-INIZCTEOSA-N 404.515 1.174 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760449068 ZIMQSGTXRSBHRR-JXFKEZNVSA-N 402.499 1.656 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1760509910 SRLBTNIMKUOBCT-FQEVSTJZSA-N 423.565 1.669 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760510202 KRMAEBQGEZAMJC-PVPMGCCUSA-N 408.549 1.740 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)C1 1760546265 LVIXMWPDMDXNJF-KRWDZBQOSA-N 417.535 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760556368 BDZCCUWODQUQLK-INIZCTEOSA-N 421.567 1.326 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760566499 VMOPEFBFCWTGCQ-IRXDYDNUSA-N 404.540 1.803 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCSC2)CCOC1 1761290507 ARJGSAQTDDVGLK-FRQCXROJSA-N 407.540 1.801 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1761837804 QNEGFFZBSXPTCB-OTWHNJEPSA-N 413.478 1.434 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1767284083 RGDMLIWMYZUWHF-HNNXBMFYSA-N 414.466 1.964 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1768690095 PWUXBXFRASQRDE-HUUCEWRRSA-N 400.439 1.319 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1772564492 DKMJZMOOFKCYPF-CQSZACIVSA-N 406.556 1.709 30 10 HDEE N#CCOc1ccccc1C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 1849932275 WEGVVCVNWXRYJY-UHFFFAOYSA-N 415.471 1.540 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@@H]1c1cccc(F)c1 1851121623 ZYDBJVAWGXRRNB-HKUYNNGSSA-N 408.437 1.356 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CCCO3)cc1 1852202707 LKQQNLUDLJUTIH-SFHVURJKSA-N 412.446 1.474 30 10 HDEE COC(=O)CN1CCC[C@H](NC(=O)c2nc(C)c(Br)c(C)c2C#N)C1 1852653523 TWCXNNASNIAHPZ-LBPRGKRZSA-N 409.284 1.700 30 10 HDEE CN(CC(=O)N1CCCC1)C(=O)CCON=C(N)c1ccc(Br)cc1 1853440380 GFAOOLBGSYWNMM-UHFFFAOYSA-N 411.300 1.557 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(c4cnco4)CC3)CCC2=O)CC1=O 1853783047 VCKPGZLNPZXEDZ-FUHWJXTLSA-N 414.506 1.654 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCN(C4CC4)C3=O)C3(CCCC3)C2=O)cc1 1854146165 ZCGMJAMFHPSYNY-IBGZPJMESA-N 406.486 1.919 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cncc(N(C)C)c2)C1=O 1854225172 URFISFSRIXIRSL-MOPGFXCFSA-N 413.522 1.388 30 10 HDEE C[C@@H](CC(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854289464 BWKJCCLNTWVPQT-YJBOKZPZSA-N 408.462 1.382 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCN(c3ccc(-c4ccncc4)nn3)CC2)C1=O 1854590904 XKQDYBWXBVDBFV-GOSISDBHSA-N 405.462 1.092 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636754 HQOFOUPAGJLIHF-INIZCTEOSA-N 411.483 1.939 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cccc4c3OCCO4)C(=O)C2)C1 1854949984 MTGFVAPXTBKXCL-SJORKVTESA-N 412.490 1.509 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cc4cccnc4)C(=O)C3)C2)s1 1856309297 KXOUYJBGHWTPGT-QGZVFWFLSA-N 409.515 1.503 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1856450916 CSLYRVHWTBCCTM-QGZVFWFLSA-N 406.508 1.304 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC[C@H]2CS(=O)(=O)c2ccccc2)CCC1=O 1856886747 XWNYWMDQQQRWND-IRXDYDNUSA-N 403.504 1.604 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)C1=O 1857178568 FEFNULXDBPDVSK-GOSISDBHSA-N 411.437 1.289 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1=O 1857437861 KWDVSILGIWTQCQ-OAHLLOKOSA-N 422.503 1.810 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C1=O 1857483620 VBSKMIJTTSJSAD-RHSMWYFYSA-N 416.547 1.794 30 10 HDEE C=CCOc1ccccc1OCC(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1859555185 AXMGWHTVRTVVLX-UHFFFAOYSA-N 404.488 1.897 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2CC 1865226325 WHAYRKOLECWTCV-GOSISDBHSA-N 424.501 1.928 30 10 HDEE CC1(C)OB(C=CCNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 1883510002 XWLJVNNRSFRRLE-UHFFFAOYSA-N 420.296 1.390 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010395333 IJKPMTLVXOOURV-CHWSQXEVSA-N 423.319 1.178 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1 2054406119 RRAVLWBTTLOOAS-ZJPYXAASSA-N 404.492 1.466 30 10 HDEE C=CCn1ncc(NC[C@](C)(CO)NC(=O)OC(C)(C)C)c(Br)c1=O 2060809324 IDDUPPHGJZUNLI-MRXNPFEDSA-N 417.304 1.879 30 10 HDEE N#Cc1ccc(Br)cc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2118194661 NMUOLUXYYPLSAU-ONGXEEELSA-N 419.201 1.679 30 10 HDEE C#CCC[C@H](NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811259 XZKSLGNGNKOIRK-LLGFUMIMSA-N 402.447 1.785 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1CC[C@@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174785541 AGPLAIWTUGQUCS-GOEBONIOSA-N 400.545 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@H]1C(F)(F)F 2186675944 LBDAFPXQKOBXDS-RYUDHWBXSA-N 412.434 1.560 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@H]1CNc1ncc(Br)cc1C#N 2218612887 GSQNMSUWIYULFH-FRRDWIJNSA-N 413.272 1.469 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248588003 XTAYATAJGQHOAJ-MRXNPFEDSA-N 415.251 1.979 30 10 HDEE N#CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258175259 LHDHLSATKYAKDT-NEPJUHHUSA-N 423.369 1.130 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@@H]3CO)cc2Cl)OC1(C)C 2267705350 XOIFQVSMXIUFNT-MWLCHTKSSA-N 407.750 1.750 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312070 QMIQOJSQZVKNOZ-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCN[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282317989 BRAQPBYXUVQSQD-CHWSQXEVSA-N 400.375 1.775 30 10 HDEE CCC[C@@]1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCNC1 2282334087 XBVZDEPIVXXQIO-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@]1(C)O 2282335603 ROMPRIXMPBJSAZ-SJKOYZFVSA-N 401.359 1.829 30 10 HDEE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340814 KDYYWGZHOGQKDT-NSHDSACASA-N 401.315 1.373 30 10 HDEE CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344424 LCIWEIAMIFIZJQ-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CCN(C)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282347217 VBMLTBOUIRFJIC-CQSZACIVSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H]3C[C@@]3(F)C2)OC1(C)C 2282491621 LWEROMTXYYUQKA-MEDUHNTESA-N 402.322 1.706 30 10 HDEE C=C(C)COCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282830812 ADKPBNRETDLDAF-UHFFFAOYSA-N 402.347 1.454 30 10 HDEE CO[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282831894 GGEGSVHRJONIJD-CYBMUJFWSA-N 402.347 1.287 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282832380 OEIFSLIAIFKINR-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC(O)C3)c(Cl)c2)OC1(C)C 2282833081 FHTXKSKDPCJJJQ-UHFFFAOYSA-N 401.721 1.688 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C 2282848969 UYOAWTJDCAZGFS-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282860417 ZTRSZNLVAVSHDY-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE C[C@H]1C[C@H](O)[C@H](C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282868453 NJJFUUWZNWDHCL-AGIUHOORSA-N 401.359 1.827 30 10 HDEE CNC[C@@H](C)N(C)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282870038 LUOHRWLJDZFQEM-LLVKDONJSA-N 402.391 1.893 30 10 HDEE CC[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284396673 XVAXYCNVWRUUQR-LBPRGKRZSA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CC(=O)O)C3CC3)c2)OC1(C)C 2284404135 WLEKVHWXQARQNO-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCCC(=O)O 2284404934 DBKRDEGVRJGHBY-UHFFFAOYSA-N 403.331 1.889 30 10 HDEE O=C(O)CCc1nnc(S)n(N=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 2321663742 ITYVJLGBSWLLHO-UHFFFAOYSA-N 415.387 1.995 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@H]4CN[C@@H]3C4)cc2Cl)OC1(C)C 2334267042 XIUSOKWEICVUMC-HLUHBDAQSA-N 404.750 1.339 30 10 HDEE COC1(C#C[C@@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2338328735 MPTOXVLZQRPXAN-DENIHFKCSA-N 402.491 1.676 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CC[C@@H]2NC(=O)OCc2ccccc2)[C@H](C)C1=O 2351188803 QZWGRAVZIRJINP-LDBYXDLTSA-N 401.463 1.617 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)CCCOC1 2365197790 XFCPFYJUVGOGOT-BEFAXECRSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(COC)CC(NC(=O)OC(C)(C)C)C1 2365209819 GVVCRQLHQCNMLY-XAUUPUKJSA-N 402.557 1.721 30 10 HDEE N[C@@H](C#Cc1ccn(C2CC2)n1)[C@H](O)c1ncc(I)s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n1ccn(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c(=O)c1=O 2377408270 SJHPMIUPLCYTJR-UHFFFAOYSA-N 421.100 1.657 30 10 HDEE Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 60498309 GLKLPZNSWKPYMZ-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C#CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@@H]1CCS(=O)(=O)C1 111047320 YUZFBSKTXPHWNZ-OAHLLOKOSA-N 422.507 1.230 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C)n(-c3ccccc3C(C)C)n2)CC1 116431150 IURKXJJSOABIJZ-UHFFFAOYSA-N 410.522 1.759 30 10 HDEE CN[C@H](C#N)Cn1cnc(I)c1I 306369676 BTMXSBZFFOXCRB-RXMQYKEDSA-N 401.977 1.204 30 10 HDEE C[C@H](C(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1)n1cnc(C#N)n1 409650559 UZBGIRSDEMMSNI-MRXNPFEDSA-N 412.494 1.517 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)ccc1F 462321833 OIOYQORHAVOIIN-HNNXBMFYSA-N 403.435 1.656 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(CN4CCNC(=O)C4)c3)cc2C1=O 462416717 LBQNIQFNVDZSAV-UHFFFAOYSA-N 418.453 1.653 30 10 HDEE CC(C)CN(C(=O)CS(=O)(=O)c1ccc(C#N)cc1F)[C@H]1CCS(=O)(=O)C1 463063176 BKAVDTRRUFJPKU-AWEZNQCLSA-N 416.496 1.143 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)s1 464765131 ZKTTWHJIIBVJSD-INIZCTEOSA-N 416.503 1.753 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 468307794 JLGSXCMXCIWRNR-HSZRJFAPSA-N 417.469 1.368 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC2CCC(C#N)CC2)C1 508374048 FAQAVWBOQJMDEY-JCYILVPMSA-N 407.540 1.873 30 10 HDEE COc1c(C)cc(C)cc1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 509250632 VURAEBSQXWDDRG-UHFFFAOYSA-N 403.508 1.737 30 10 HDEE Cc1noc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 531481222 VGBVDZIFVSIZSD-GFCCVEGCSA-N 404.452 1.027 30 10 HDEE COC(=O)c1c(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)[nH]c(C(C)=O)c1C 545461437 HIXLSPQZFNWQGX-UHFFFAOYSA-N 409.446 1.470 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 549667289 OYDHQIKOUQTSBY-INIZCTEOSA-N 408.466 1.603 30 10 HDEE COC(=O)c1conc1C(C)(C)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 558076230 MUZOQSQVENYRJU-UHFFFAOYSA-N 410.434 1.977 30 10 HDEE CN(C)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CC1 561022491 RUXKFFYTBVATGM-GOSISDBHSA-N 409.494 1.799 30 10 HDEE CCN1CCC(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 572619836 NKOCBKSXKZGHTB-UHFFFAOYSA-N 419.551 1.306 30 10 HDEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 585226890 FRCQWOOPMSURMW-UHFFFAOYSA-N 402.436 1.451 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c(F)c1 609597707 VYVFXDFLJPGNOA-UHFFFAOYSA-N 423.491 1.960 30 10 HDEE CCOc1cccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 610814500 KQERWGQQVUGKJX-AWEZNQCLSA-N 402.476 1.378 30 10 HDEE N#Cc1cc(O)cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 614293465 IINOQQQBTGYVQQ-UHFFFAOYSA-N 403.416 1.243 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN([C@H](C#N)c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 619753648 ZWXJGLHRLHCMNU-IIDMSEBBSA-N 412.943 1.876 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCCN3CCCS3(=O)=O)ccc2c1=O 725903879 BMHRRBNBOPLJGB-UHFFFAOYSA-N 422.532 1.027 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccccc2C(F)(F)F)nn1)[C@H]1CCS(=O)(=O)C1 729333992 FJFZLROGHBUOBW-LBPRGKRZSA-N 412.393 1.549 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)NCc2ccc(C#N)cc2F)CC1 729858361 ZUFYSSUDSZXUPN-UHFFFAOYSA-N 419.457 1.576 30 10 HDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCN(c2ccccc2F)C1=O 732891413 HSCPSVDBNIAPBB-BQASMSSTSA-N 415.425 1.099 30 10 HDEE C#CCN(CC(=O)Nc1nc2ccc(OCC)cc2s1)[C@H]1CCS(=O)(=O)C1 744398724 OPZKOAWQFMXMTR-ZDUSSCGKSA-N 407.517 1.756 30 10 HDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](CO)C(=O)O 757262448 YYNFGQGXPYFUOG-VQTJNVASSA-N 422.437 1.479 30 10 HDEE COC(=O)c1coc(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c1 760244648 VBKSGVZUNRQJFH-UHFFFAOYSA-N 413.205 1.819 30 10 HDEE C[C@@H]1CN(C(=O)CON=C(N)c2ccc(CNC(=O)OC(C)(C)C)cc2)CCO1 769842266 LISWIDMXQQNKKN-CQSZACIVSA-N 406.483 1.596 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](CN2CCCCCC2)C1)c1cc[nH]n1 772208367 YLYUMRNYQHTYDI-KRWDZBQOSA-N 419.526 1.808 30 10 HDEE C#CCN(C(=O)NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 774196198 RMHWPXOXWGAEPT-GOSISDBHSA-N 408.495 1.706 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)[C@@H]1CCCO1 775330202 PTKKREGRSZEDKS-KSZLIROESA-N 422.503 1.013 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 776194624 ABYJYRZJBOPNTR-MSOLQXFVSA-N 404.467 1.481 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)[C@H](O)c1ccc(C#N)cc1 780205141 LMIFPBVIDDRBBI-MGPUTAFESA-N 409.442 1.895 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1 780254238 BQXRPVHCRRODJK-SFTDATJTSA-N 417.462 1.670 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)N2CCC(C)(C#N)CC2)CC1 780822103 XTLYAUKJHXDAAH-UHFFFAOYSA-N 407.515 1.839 30 10 HDEE Cc1nc(F)ccc1C=NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 782110217 GFZYZJVALQMPRV-UHFFFAOYSA-N 423.426 1.904 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)cc1 783064568 HKIHRGUDYDWEHI-GOSISDBHSA-N 407.455 1.975 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(NS(C)(=O)=O)c2)n1 788855663 VJLPQFZGBWUZBD-UHFFFAOYSA-N 419.507 1.246 30 10 HDEE CCC[C@@H](CCCS(C)(=O)=O)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 789389085 QCUKSEOGMQBPSQ-INIZCTEOSA-N 400.522 1.745 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)n1 790104751 VUYNOCHGIOWUAX-INIZCTEOSA-N 408.524 1.801 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n(CC)c(O)nc3c2)n1 790109121 MEYWPIHNBXWNGV-UHFFFAOYSA-N 409.446 1.241 30 10 HDEE N#C[C@@H]1CN(CN2Cc3cc(Br)c([N+](=O)[O-])cc3C2=O)CCN1C1CC1 795429079 SBMYBJBMYANCGC-CYBMUJFWSA-N 420.267 1.943 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 795925478 GWKAXXSENZRCPK-VIFPVBQESA-N 410.261 1.980 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc3c(cc2Cl)CCC3=O)CC1 800895608 QPMOSCPMUFECHL-UHFFFAOYSA-N 411.911 1.077 30 10 HDEE COC(=O)CCCONC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 808820136 VSTLIWJXXUFAKH-HKWRFOASSA-N 412.468 1.506 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C)c2=O)cc2c1OCO2 838643604 BCFHNTNBQMKKFS-UHFFFAOYSA-N 417.446 1.971 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 917243539 ZRCQXZKQHHVGQC-AUUYWEPGSA-N 406.483 1.569 30 10 HDEE COc1ccc(Cl)cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 917767954 HUYSNJUDXLOHNQ-HNNXBMFYSA-N 401.875 1.777 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)c1OC 1124446695 GFBUPZHNCABKBF-UHFFFAOYSA-N 401.463 1.699 30 10 HDEE CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)N1CCOCC1 1130322595 QOSMFVAMLRSRAH-MJGOQNOKSA-N 412.490 1.301 30 10 HDEE CNC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1Cl 1136322822 GSOUGOIRMLUBBL-UHFFFAOYSA-N 406.851 1.488 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)CCC2=O)cn1 1136612328 BTQUOQSMHBZDRS-HNNXBMFYSA-N 409.446 1.881 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)s1 1142119502 TZYHFXOJHILWGC-KRWDZBQOSA-N 421.500 1.618 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143068019 IOQURWFXGMWHRM-WMZOPIPTSA-N 420.531 1.490 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CC1 1147909704 GXUFXSKNQFIBAI-BTYIYWSLSA-N 418.494 1.131 30 10 HDEE Cc1ccc(C(=O)NCc2nc3cccc(F)c3[nH]2)cc1S(=O)(=O)NCC#N 1153149857 RSYNDKRIPPVPAP-UHFFFAOYSA-N 401.423 1.742 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1 1154065002 WBGQNWMJNNIBSE-KRWDZBQOSA-N 406.891 1.585 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 1175935112 GOXWEEBHSUGNGA-BBWFWOEESA-N 405.520 1.697 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N3CCNC3=O)cc2)c1 1175969057 JJTRMFAECDUEBQ-UHFFFAOYSA-N 416.434 1.583 30 10 HDEE C#CCC1(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCOCC1 1178168526 CALRTSQVJALLRW-GOSISDBHSA-N 410.474 1.225 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)C1 1215662331 XZPRSTRXVHVEOM-HZPDHXFCSA-N 405.524 1.339 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1226682816 DTBASASMODGIFN-LZWOXQAQSA-N 401.410 1.912 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCc2nnc(S)n2C2CC2)C1 1233852417 KQBFVHYBHCXYKS-WCQYABFASA-N 421.527 1.502 30 10 HDEE Cc1nccnc1[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1248429270 ACTDMUPFTJWEIW-OAHLLOKOSA-N 414.491 1.434 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](F)COC 1286362594 GDIUATYQQSKZAW-CQSZACIVSA-N 408.503 1.601 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1286390665 BAWAMWPTTAPJHM-DLBZAZTESA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1CCN(CC(F)(F)F)CC1 1286399093 YHAWKOZECZJMLB-UHFFFAOYSA-N 424.471 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1cccc(F)c1)N(C)C 1286415518 KYHOCIWMOOQLFA-FQEVSTJZSA-N 422.508 1.915 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOCC1 1286582546 ZBFXNWBWAUMVKT-KRWDZBQOSA-N 411.572 1.305 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn2ccc(C)cc2n1 1286774034 XTJUBZWKEAXGFO-QGZVFWFLSA-N 409.494 1.872 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCSC2)nnc1[C@@]1(OC(C)C)CCOC1 1286793009 ORMCZKSWWHTYCV-HNAYVOBHSA-N 409.556 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)(F)F)C1 1286811782 IDMYZCBFJWKXKY-HNNXBMFYSA-N 424.427 1.724 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCCCC2)nnc1[C@]1(OCC)CCOC1 1286825937 ZWPJMLBPFYPOJI-IBGZPJMESA-N 412.556 1.911 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1287911168 GEPSCGISJJASQG-UHFFFAOYSA-N 411.554 1.925 30 10 HDEE CC(C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1288201016 BAITWKYDGXHIET-DNVCBOLYSA-N 422.555 1.225 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1290975934 ILNRUKZSNQNKSG-CJNGLKHVSA-N 416.432 1.908 30 10 HDEE CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1292563355 YHXVSQVTVSKGRG-CQSZACIVSA-N 409.483 1.891 30 10 HDEE CC/C=C\Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1293694511 KPUCJZXKXINVFP-IJVDHGTGSA-N 405.462 1.887 30 10 HDEE CCO/C=C\[C@@](O)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1298577109 VEPVJIWBDSTBGZ-XITLMJRVSA-N 420.409 1.433 30 10 HDEE C#CC[C@@H](NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C)C(=O)OC 1299179529 RWTSDWUFRACQBM-OAHLLOKOSA-N 419.482 1.453 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1ccc(C2(C#N)CC2)cc1)C1CCCC1 1299207007 SPNQELFVJKIJQE-GOSISDBHSA-N 404.536 1.926 30 10 HDEE Cn1cnnc1N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1300147753 MKULSGKURUCAEC-HNNXBMFYSA-N 405.503 1.441 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1300272209 LUOVPJGSYTXMJE-CABCVRRESA-N 405.524 1.793 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300430559 OBVGBAUPIYNGSJ-AUUYWEPGSA-N 422.482 1.176 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1300432217 DISQLMKWGCAGQQ-KRWDZBQOSA-N 410.526 1.021 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1300475943 TXRUWRXRTNRSLB-INIZCTEOSA-N 418.519 1.760 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300498501 KPHRROZDJCIRHC-HNNXBMFYSA-N 407.565 1.729 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1300754075 HLQOQABPBOXHIW-UHFFFAOYSA-N 400.508 1.177 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@@H]1C 1300899619 HMBDJWKPIRSQNT-HOTGVXAUSA-N 414.576 1.011 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1301313020 VBILZYJSUVXRJY-UHFFFAOYSA-N 404.559 1.806 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)O 1301422835 ZIEVYMARPMDMJX-UHFFFAOYSA-N 412.494 1.602 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1301585511 MPEKHPCCIOBBER-UHFFFAOYSA-N 423.583 1.841 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)[C@H](C)C1 1301722639 UQJYHUMKPKFQDS-ZHRRBRCNSA-N 424.505 1.679 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1302637637 JSLKHLRVTIRBID-VKMRWALRSA-N 403.460 1.024 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(CO)(NCC2CC2)CC1 1306867737 QAOACZYMMIHFOS-KRWDZBQOSA-N 408.543 1.927 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)c1 1309643361 IIUZEBDHFGMPEZ-INIZCTEOSA-N 419.425 1.292 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1309732223 MLJZTIVIRGNTEI-CQSZACIVSA-N 406.426 1.614 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1)C(C)C 1312808833 VOOJUNSMVWSJHR-AWEZNQCLSA-N 413.521 1.208 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 1320776607 ISUNHIFNCMFAJJ-QGZVFWFLSA-N 403.435 1.214 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(C(=O)c3ccccc3)C2)n1 1339468635 ZGOPFCQPSLKBMW-FQEVSTJZSA-N 423.517 1.979 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1355698019 AAUHVHOZQOMNQJ-UHFFFAOYSA-N 414.506 1.878 30 10 HDEE C#CCC1(C(=O)NC[C@@]2(C)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1358827730 SDBVWQDDQIIEGP-ZUMYOTAESA-N 400.519 1.585 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1358903540 AUNQSJVMXSKTTM-FIKGOQFSSA-N 403.527 1.993 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1358981220 BDNIXXGRIPVSQV-XXBNENTESA-N 410.566 1.984 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1358999105 DPUMNZVBMQHJCI-UHFFFAOYSA-N 409.556 1.481 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cnn(C)c1C 1359021386 NCWQDSDILQXXQC-UHFFFAOYSA-N 408.462 1.850 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ncn(C)n1 1359022655 IBAAWVSEQKBWKT-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOCC)CC1 1359044391 DXBVXOUBPHOKOE-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1359164212 IMWJZUVLBKWIMU-ZWKOTPCHSA-N 401.559 1.412 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1359222040 WTUBDJUGHFSIIM-MSOLQXFVSA-N 420.558 1.166 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1359240226 JHEMWZZPAMZDCG-OAHLLOKOSA-N 404.492 1.622 30 10 HDEE N#C[C@]1(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCOC1 1435582149 OPEVAISVHREFIL-OAHLLOKOSA-N 406.382 1.795 30 10 HDEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)CC1 1437058560 VPRIZGHEGBQXJJ-UHFFFAOYSA-N 420.531 1.976 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1438911954 OZPZMUGLYHFQSV-HUUCEWRRSA-N 411.499 1.468 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CC[C@H](c2ccccc2)NC1=O 1446138580 KZIVKUBPRIYADF-SJLPKXTDSA-N 419.489 1.542 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1449564435 CRICBWIDAKKKIZ-ZDUSSCGKSA-N 407.459 1.839 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Cc1ccc(C#N)cc1 1452188030 DNWFDCBCZCTIFC-UHFFFAOYSA-N 402.432 1.446 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC[C@@H]1CCOC1=O 1455454293 PGCZRLMPGRXNHS-ZBFHGGJFSA-N 421.519 1.599 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1460291523 XWQMEVGZADVOTP-QGZVFWFLSA-N 405.520 1.381 30 10 HDEE COc1ccc(-c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)n[nH]2)c(OC)c1 1464926663 QULJENPCZQWBJR-ZZEZOPTASA-N 411.418 1.350 30 10 HDEE C=CC1(CC(=O)N2CC[C@@H](C(=O)OC)C[C@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1466317687 NKJBRNRJQOOJRH-CABCVRRESA-N 424.494 1.753 30 10 HDEE C=CCN(C(=O)c1nc2ncc(CCO)cn2n1)[C@H](Cc1ccccc1)C(=O)OCC 1466892845 AYNCMHGFZIEGPH-GOSISDBHSA-N 423.473 1.462 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(=O)nc1O 1469390580 XVJUNNJQZZUFHE-DZGCQCFKSA-N 406.446 1.930 30 10 HDEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1471892816 DEQXORWGNQMQPM-AWEZNQCLSA-N 422.425 1.998 30 10 HDEE CN1C[C@H](CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1471913578 WKRSGOFTYBSUBX-XAHBDIOTSA-N 404.511 1.758 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cc(C)nn1C 1503103661 HWOBIIHGYCAXRX-UHFFFAOYSA-N 421.509 1.498 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507554614 VVGODPBATAKBIG-OAQYLSRUSA-N 413.526 1.705 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)N(C)C 1507612305 SEXHXWRCEKCPTN-UHFFFAOYSA-N 414.491 1.561 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1507634270 YGEUAOPBNLLOQY-QFBILLFUSA-N 424.592 1.430 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1507642491 VUPJRDPTOAEBJM-WFXMLNOXSA-N 402.495 1.055 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCN(C)C1 1507656227 UEDZQUNNWSQNAG-QHCPKHFHSA-N 407.518 1.559 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCO3)n2Cc2cnn(C)c2)n1 1507715944 DVRNZHRQQFIQQL-LJQANCHMSA-N 424.509 1.394 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N(C)C)CC1 1507738648 TZXVGYKDRZVTQF-KRWDZBQOSA-N 409.538 1.564 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507755855 JBBBUTLEKMIXBH-ZWKOTPCHSA-N 410.547 1.687 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1507771787 CPHKBNPVLPZMHN-SIKLNZKXSA-N 414.554 1.328 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507799920 SUEZAHXMILKJOG-VQHPVUNQSA-N 412.556 1.633 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1507836908 DHYPLWYLTXPZRA-CRAIPNDOSA-N 413.544 1.098 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCOCC1 1507978408 MDYYJXUWKGXCRN-UHFFFAOYSA-N 424.505 1.746 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098864 SATZPSZUPFPSAT-OXJNMPFZSA-N 423.583 1.953 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccco2)C1 1508109217 PIKOWWMWRODFJX-IIBYNOLFSA-N 415.494 1.796 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C)nn2C)cc1 1518208369 GOUWQSVYUJYIFA-FQEVSTJZSA-N 421.505 1.891 30 10 HDEE COCc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)cc1 1518803045 HCUCVZYCZKIOGW-QAPCUYQASA-N 417.535 1.971 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1532325509 WRRAQMQNJUHZEO-CRAIPNDOSA-N 405.520 1.672 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cn1 1532371604 CVUBGIRWQHJLFJ-UHFFFAOYSA-N 405.505 1.227 30 10 HDEE N#Cc1cccc(C2(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CCOCC2)c1 1532549646 RFILSBFOWFEXQA-HXUWFJFHSA-N 417.469 1.800 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2C#N)C1 1533853410 MFAPUSWEMGPJJR-OKILXGFUSA-N 412.471 1.414 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538992010 JARIREAYXUWYRF-CVEARBPZSA-N 417.535 1.693 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O 1538992208 NGMDGKOZHNUUIE-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCCN1CCCO 1539162455 SJUVQGPNKRHKNP-KRWDZBQOSA-N 413.522 1.879 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(=O)(=O)CC 1539178837 KNHDFZQMKIPTNH-KRWDZBQOSA-N 419.507 1.189 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539219020 BCQNCQVKZLMTJH-FJIDUMEYSA-N 406.552 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CSCCS1 1539421037 OPESTNNTSQSYBJ-OAHLLOKOSA-N 409.581 1.335 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccnc2)CC1 1539467513 SOBBBZROUCYJES-UHFFFAOYSA-N 423.521 1.020 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540861909 LEVXXTMENMWEMJ-DOTOQJQBSA-N 417.558 1.172 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC2CC2)C1 1540862117 RJGRSIXKDGQMQY-MRXNPFEDSA-N 404.515 1.114 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@](O)(c2ccccc2F)C1 1540875655 TWHDDYJICFGOLW-HXUWFJFHSA-N 403.458 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1540902248 DZXMMEWYFBRHQW-KZNAEPCWSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1540904554 NTSQRJDGBUMQKS-IAGOWNOFSA-N 401.536 1.957 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnn3c2NCCC3)cc1 1541114075 BBSQGZQYSKKBKS-JWGURIENSA-N 402.480 1.764 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)Oc1ccccc1F 1541678719 HPOLOCBHPOKBLZ-HUUCEWRRSA-N 416.457 1.752 30 10 HDEE COCCCNC(=O)CN(C)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1542367637 LFBOKECUUYELFE-UHFFFAOYSA-N 404.316 1.519 30 10 HDEE C[C@@H]1CN(CCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1545097302 ZLTUTARVKIEMAA-QYZOEREBSA-N 418.542 1.402 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](C)N2C(=O)CCC2=O)n1 1546213267 OWIZJARJUFPBQJ-SECBINFHSA-N 406.493 1.276 30 10 HDEE CCCCn1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1547036354 GHDOWFDIRHAQEF-IRXDYDNUSA-N 412.498 1.311 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1557008190 QWBHMIGEFKCBHG-INIZCTEOSA-N 413.540 1.320 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@]23CCCC[C@@]2(COC3)C1 1557667896 ROSTZMPKSHKDOC-YSSFQJQWSA-N 403.504 1.644 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H](C#N)C1 1559824798 WVDOYSXZLWKTQO-INIZCTEOSA-N 408.458 1.731 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](c3cccc(Br)c3)C2)CCO1 1561580984 BILCHVHRSUHHSV-UKRRQHHQSA-N 400.298 1.708 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc(OC)c1OC 1563814837 MRQKKSNNFQFEJK-CQSZACIVSA-N 411.524 1.608 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccccc2N2CCN(C(C)=O)CC2)CC1 1563864487 ALTVLSYBOOQKEB-UHFFFAOYSA-N 400.523 1.968 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C(N)=O)Cc3ccccc32)s1 1565564936 PTNGISDMSMMBNM-CQSZACIVSA-N 419.528 1.446 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 1567388042 NRERPLHBXKIMFS-OKZBNKHCSA-N 412.490 1.910 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CN(C)C(=O)OC)cc1)c1cc[nH]n1 1585898369 FWVJOBRXTZFTGG-UHFFFAOYSA-N 417.422 1.530 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC1CC1 1588094320 ZMSVXIGNFLYPKE-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1588228065 AAXRUFBAMKQVKN-OAHLLOKOSA-N 418.548 1.046 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1588314636 LPTXZFOZBBKGMB-NRFANRHFSA-N 407.478 1.120 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC)C1CC1 1595020538 ICRWYVUTPJNEHJ-CYBMUJFWSA-N 406.512 1.495 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1595845353 SAUGTEFRZIOZFX-MJBXVCDLSA-N 403.574 1.421 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)C(=O)OC 1596794701 GKGDVVCKPWMVFK-CYBMUJFWSA-N 404.872 1.760 30 10 HDEE CC(C)[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1596830881 GAQMEQUHGYNKMA-CAOSSQGBSA-N 410.544 1.424 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1=CCCOC1 1611684280 JFQYNCZNFHYEDZ-CQSZACIVSA-N 408.528 1.365 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(Br)c(C(=O)NCC#CCO)c1 1617899512 ASEOWUSLSUBPGK-UHFFFAOYSA-N 403.298 1.251 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCSCC2)CC1=O 1618479278 AMDAXADVJLKIPK-UHFFFAOYSA-N 411.535 1.144 30 10 HDEE Cn1nc2c(c1C(=O)N[C@@H](C#N)c1ccccc1Br)CS(=O)(=O)CC2 1618518592 BGWSPSDVHNALFD-AWEZNQCLSA-N 423.292 1.648 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1619773256 GMWKOCWBVYXIDB-NRFANRHFSA-N 409.494 1.974 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCCC1 1620025269 OQCDVOGSUCFUQT-ZWKOTPCHSA-N 406.531 1.607 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1620346439 AWXFQXUAEDGCQL-SUMWQHHRSA-N 405.459 1.002 30 10 HDEE CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccnc(C#N)c2)cc1 1622679803 HZVKATKJVYCNRQ-UHFFFAOYSA-N 408.505 1.974 30 10 HDEE C=CCC[C@@H](NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OCC 1624304410 VQVHAVWWMQXBDZ-GDBMZVCRSA-N 411.524 1.994 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)n[nH]2)c1C 1626081326 FVAOBPOQTGTJCE-HNNXBMFYSA-N 420.539 1.620 30 10 HDEE CN(C)C(=O)/C=C/C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1627453908 CPUPJUJHJBWTLZ-WAVCKPEOSA-N 405.296 1.802 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1628101407 QBNKQSVPTAVEKS-UHFFFAOYSA-N 402.495 1.345 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 1629978778 VNQZJSLZOZEOFL-ROUUACIJSA-N 424.542 1.523 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C(=O)COc3ccc(C#N)cc3OC)C2)CCC1 1636122587 IWBYOGWGHNCFHS-NRFANRHFSA-N 402.447 1.642 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 1637662936 KNZOFUADPRITHS-CZUORRHYSA-N 420.288 1.970 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCC(O)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1638330983 HVNMRIIGQLUDEB-UHFFFAOYSA-N 421.538 1.611 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1639829845 RWUCCUGVXWFYEF-HNNXBMFYSA-N 413.471 1.396 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)n[nH]2)c1C 1642077954 JWZHEVPUFMBJKB-MRXNPFEDSA-N 412.494 1.586 30 10 HDEE C#C[C@@H](NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 1642792101 YERRAZLFMRRXSF-RTBURBONSA-N 405.520 1.570 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2[C@H](CNS2(=O)=O)C1 1644632681 CJNYWVGTEAOSEE-CHWSQXEVSA-N 423.564 1.050 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)N3CCCC3)n[nH]2)c1C 1647940821 LBXNRPFFQFKJSV-UHFFFAOYSA-N 406.512 1.231 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1648263959 CCUQAGKCWOFXOC-IBGZPJMESA-N 424.519 1.259 30 10 HDEE COC(=O)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCOC1 1648881088 YOLWTZDZZJECPM-DLBZAZTESA-N 403.454 1.856 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCNC(=O)OCc2ccccc2)c1 1648939575 QDURIDJQXIYFKO-UHFFFAOYSA-N 415.471 1.254 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Cl)cc(Br)c3O)C[C@H]1CS(=O)(=O)C2 1649092777 KXXYQOFBEWXHGC-RMLUDKJBSA-N 419.684 1.818 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CC1 1650951546 IKOPHHRUGSJMIP-MRXNPFEDSA-N 404.894 1.944 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1OC)C(=O)OCC 1670888099 YIJMWFWNNOQWAG-ZDUSSCGKSA-N 418.899 1.750 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1673203202 SHAFDWWGFSMTIO-SFHVURJKSA-N 407.559 1.278 30 10 HDEE COc1cc(NC(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)c(F)cc1C#N 1673761824 CYTMURFZGZERQN-LBPRGKRZSA-N 410.413 1.886 30 10 HDEE N#Cc1ccc(CN(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)C2CC2)cc1 1675944887 JYJLHOPNGCCRIM-UHFFFAOYSA-N 419.485 1.665 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2ccccc21 1679943795 BTFJKLGMYZVWPJ-ARFHVFGLSA-N 413.478 1.632 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)NC(C)C)CC1)c1ccc(Cl)cc1F 1683517100 PYZBUWYVZVRHIH-MRXNPFEDSA-N 416.906 1.723 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ncccc2C)C(C)(C)C)CC1 1687809572 SHFUFWIAZGQBBB-QGZVFWFLSA-N 407.540 1.272 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N(C)CC(=O)N1CCOCC1 1689919694 XNFGNOYOBPZHOL-UHFFFAOYSA-N 402.886 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCCC2)CC1 1690124342 JLUVKGFFHFPUAD-KRWDZBQOSA-N 400.527 1.321 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)COC2)CC1 1690132339 ONNJVMOXDBSFBM-UHFFFAOYSA-N 406.490 1.520 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690172608 KAWXLENZICBYDV-OALUTQOASA-N 419.595 1.697 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)C1 1690236884 SIDNNPNVNSSOCB-YOEHRIQHSA-N 404.515 1.114 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690299257 LBUIYRHEUVOYBF-ZWKOTPCHSA-N 402.543 1.780 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690353998 ATZTXXAJEQNHML-UHFFFAOYSA-N 423.905 1.624 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1690512267 SJPJEGADAJQYGA-UHFFFAOYSA-N 401.458 1.869 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1690648204 OGQBNYIRTWLYPG-CQSZACIVSA-N 418.523 1.431 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1694325826 FHABYIIAIWBJJD-UULLZXFKSA-N 410.519 1.550 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1696843685 WJBPWSGRVZTZAJ-DZGCQCFKSA-N 405.480 1.308 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(CCOC)c1 1696988589 FJZJZYPVKVETNY-UHFFFAOYSA-N 422.493 1.280 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705562858 LUHBSKAZUKHISP-OXJNMPFZSA-N 418.519 1.634 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1705563787 FNJNHDBDPJODPM-HZPDHXFCSA-N 405.524 1.335 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1705569390 GQOSMRUXCKDKTN-OAHLLOKOSA-N 423.564 1.031 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCOc1ccc(Cl)cn1 1705628593 LBPFEANVGVRMTH-HNNXBMFYSA-N 405.886 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnccn1 1705704912 AMQNFUXXQIPBHG-JXFKEZNVSA-N 411.510 1.808 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705903548 XWWPOBFUHSGBFN-FQEVSTJZSA-N 424.549 1.715 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1705907807 YCRIPRYIVXGQAX-ZDUSSCGKSA-N 401.496 1.310 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCO2)C1 1705917295 VWHVHYHQCFSOCZ-ARFHVFGLSA-N 413.544 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705936292 NQRIZYKZBOOYHQ-QGZVFWFLSA-N 409.556 1.641 30 10 HDEE CCCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1709676843 ZTIAKJRJVOOYPN-CQSZACIVSA-N 402.455 1.551 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCNC(C)=O 1710166567 JQFOCIPVXUKDAD-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE C#CCN(C(=O)c1csc(O)n1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1722167650 DBPCLTIDRKKSAP-VUBIOHBQSA-N 401.488 1.339 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1722381396 PUMDYHWXVLJNIN-RBUKOAKNSA-N 415.563 1.823 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(O)CCCC2)CC1 1722446418 VXTMGHCPFVFWLZ-UHFFFAOYSA-N 409.494 1.006 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722457436 DUKBHXBYCNTTAL-DNVCBOLYSA-N 400.508 1.486 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722507776 GNMKOMFUKILHHC-ZWCUEREDSA-N 410.522 1.947 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1 1722507863 QFVYBULAKIRSQW-WBVHZDCISA-N 415.498 1.548 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722617223 HYVPRTBXAKGMKO-IAGOWNOFSA-N 424.567 1.921 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1722619460 CZSOAIJICMVUSG-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE C=CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1722645700 WTINZQKFAWXUHT-FQEVSTJZSA-N 418.519 1.658 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1)C1CC1 1722647434 VATGTGXVCFLTGF-WCQYABFASA-N 405.471 1.467 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722700611 NRYBTPYWPYXOFK-GOSISDBHSA-N 420.521 1.684 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1724010589 RAKMJRVPCJBBLI-AWEZNQCLSA-N 414.491 1.823 30 10 HDEE CCC(O)(CC)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1727290779 AYSURUWFVCYEHJ-AEFFLSMTSA-N 402.543 1.900 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cccnc2)n1CCCn1cnnn1 1729397465 TUNRITXPTKXXLU-UHFFFAOYSA-N 400.450 1.925 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1nc(C(C)C)no1 1736570900 BGNVQUDQWUXRJL-MTSZKFMLSA-N 402.495 1.965 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1740543850 XOPXNGACSRGWDB-HIFRSBDPSA-N 424.461 1.162 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC1(C(N)=O)CCOCC1 1740609001 JUJNOWKGTCBCFE-UHFFFAOYSA-N 420.473 1.952 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1740618715 BBNQFLUYGAUDKB-GOSISDBHSA-N 414.531 1.877 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1740623128 OXKLIWCSPZIJCL-MRXNPFEDSA-N 401.492 1.234 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@@H]21 1740750485 CHMREKQVHDMMGA-KSWRQPAISA-N 409.556 1.858 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)c(C)c1 1742223567 ICSIABVYFZBZKC-WBVHZDCISA-N 418.523 1.282 30 10 HDEE CCCN(CC)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1745600756 NRMGPHVLRLHUBL-DXQAYGFFSA-N 402.499 1.935 30 10 HDEE CCN1CCCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1=O 1746424165 XSBCTYZBTALULS-HNNXBMFYSA-N 416.482 1.574 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC1 1747623333 HPLKZXQIJKSQOY-MRXNPFEDSA-N 401.492 1.619 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1748174775 XHOGJFGEBDRUII-GCJKJVERSA-N 424.505 1.585 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(Cc1ccnn1C)C1CC1 1748279337 ZLSABAGBSNOKFK-UHFFFAOYSA-N 404.478 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOCC(F)(F)C(F)F 1748685019 SXNRHPTVUFDQJJ-GFCCVEGCSA-N 405.396 1.775 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2)CC1 1748990397 HOWVNIFHSMZYCI-IEBWSBKVSA-N 408.506 1.452 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2c[nH]nc2C)CC1 1749008562 CTWSLZLTIRMOKA-UHFFFAOYSA-N 420.521 1.903 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1)C1CC1 1749519045 DTWIMLJDOPTRCA-HNNXBMFYSA-N 403.508 1.787 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N2CCCCC2=O)CC1 1749664419 MXZISPRMGODNON-UHFFFAOYSA-N 423.521 1.624 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1750378217 FBLLMSLVXGGUGB-QFBILLFUSA-N 418.498 1.673 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1nnnn1CC1CC1 1760103164 ZNTZEALLYGKLEM-CQSZACIVSA-N 422.493 1.865 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1760188304 JKJMGTUYJPDFQY-MRXNPFEDSA-N 420.514 1.588 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1760189961 MPMXSVPYELOVLK-IBGZPJMESA-N 419.595 1.589 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCCO)[C@H]1CCS(=O)(=O)C1 1760190734 YCXUCTBNSSDVJF-KRWDZBQOSA-N 419.551 1.463 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1760205766 JCUJWHOMYNKYOU-CQSZACIVSA-N 403.533 1.320 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CCn1cncn1 1760246816 DVHHZPOCLSGAMH-UHFFFAOYSA-N 415.885 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1760267886 DSFGKOSHUXDTST-GAJHUEQPSA-N 422.533 1.857 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1760296533 RDYFHPFJSJCSON-RTBURBONSA-N 420.560 1.472 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCO1 1760325019 OJUGLEABOTWNBQ-QKLQHJQFSA-N 403.527 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1760551684 ONCRGSINCRNSMD-HNNXBMFYSA-N 401.492 1.643 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1761360184 HPKGETLPFPSSTK-CJNGLKHVSA-N 405.466 1.801 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CC1 1767104132 NBAWJIQJUICFDG-GUDVDZBRSA-N 403.575 1.794 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1CCOCCS(C)(=O)=O 1767490820 IGDILWQZHSHCLW-UHFFFAOYSA-N 406.512 1.085 30 10 HDEE C=CCN1CCN(C(=O)c2cnc(N(C)C)c(I)c2)CC1 1850528706 JSPHQSHILHENEQ-UHFFFAOYSA-N 400.264 1.696 30 10 HDEE C#C[C@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@H](c2ccc(C)cc2)C3)CC1 1851050770 NJAWTEKNRRNYTQ-JXFKEZNVSA-N 421.501 1.848 30 10 HDEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc(C#N)nc3)CC2)cc1F 1851198349 WSKRYRHZSMYLNW-UHFFFAOYSA-N 421.436 1.640 30 10 HDEE Cc1cc(=O)n(CC(=O)N2CCN(c3nc(-c4ccccc4)ccc3C#N)CC2)cn1 1852067837 IPMNCMAEBUDPOJ-UHFFFAOYSA-N 414.469 1.834 30 10 HDEE COCCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1cccc(C)c1 1853485504 NTLUIGBSMWNBDW-UHFFFAOYSA-N 403.460 1.793 30 10 HDEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(Cl)c3)C2)ccn1 1853666822 KQSLIWFJOUZVSN-INIZCTEOSA-N 407.835 1.909 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1853746817 NTQZVTJSKXLTDY-GOSISDBHSA-N 421.494 1.743 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCSCc2cc(=O)n3ccc(C)cc3n2)CC1=O 1854132436 BZBXCWMFKAFREK-HNNXBMFYSA-N 401.488 1.814 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)CCn2ccnc2C)C1=O)[C@@H]1CCN(C)C1=O 1854301827 KRBUXRCJJZOSCK-ZWKOTPCHSA-N 401.511 1.208 30 10 HDEE COCc1nc(CCN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)no1 1855192149 RFARBFSOHCRDMW-OAHLLOKOSA-N 411.462 1.322 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 1855707558 PTRULHUNXBMJSV-IBGZPJMESA-N 404.474 1.692 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855984805 KHXKPGMAKUUYEF-MSOLQXFVSA-N 401.486 1.977 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CCN1[C@H](C)CCC#N 1856283149 RCODFVGPPJZJTO-CABCVRRESA-N 409.483 1.741 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)C1 1856409947 XPMRFOVWATYZBH-HNNXBMFYSA-N 416.453 1.026 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)c2cncc(F)c2)C1=O 1857051742 ICBNTQAFQOAWJB-GFCCVEGCSA-N 402.407 1.704 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)C3CC4(CCOCC4)C3)C2=O)C1 1857107221 PXCZIPDEHGVEJI-SFHVURJKSA-N 410.474 1.351 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1857221386 MHCLZWHQJOBYIU-INIZCTEOSA-N 421.494 1.600 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc3cccnc23)C1)[C@@H]1CCN(C)C1=O 1857299507 QISDSAVSXCYDMV-CRAIPNDOSA-N 407.474 1.337 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 1857306645 XOMCEBQKFSFZDQ-LJQANCHMSA-N 404.474 1.231 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)s1 1857508846 BJMLSIDUKMOAFV-HUUCEWRRSA-N 414.531 1.970 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860967160 AFNOEHQWAODLQI-SFHVURJKSA-N 405.458 1.430 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866911538 HKOGNLDAEFBCQR-VQTJNVASSA-N 410.449 1.778 30 10 HDEE C=C(I)C[S@](=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1881443101 VMENFVCWAYSNRE-YLVJLNSGSA-N 403.238 1.662 30 10 HDEE COc1ccc(Br)cc1S(=O)(=O)NCC#CCN1CCOCC1 1889354422 IVRXLCCLPYRWRN-UHFFFAOYSA-N 403.298 1.072 30 10 HDEE O=C(Nc1nc(C(=O)NCC#CCN2CCOCC2)cs1)c1cccc(F)c1 1889492530 KXHUOVFQQIBUCM-UHFFFAOYSA-N 402.451 1.600 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)CC1 1889617854 SGCVCNLJUVUXAS-UHFFFAOYSA-N 421.545 1.949 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@@](C)(=O)CCNC(=O)OC(C)(C)C 1957265768 NBSVPNPLDFYCJX-FQEVSTJZSA-N 405.336 1.847 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2060604597 GDJCBPLJMHYKNM-NSHDSACASA-N 414.304 1.983 30 10 HDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)c2ccc(C#N)s2)C1 2118163124 OOFRSBOIQZADIY-VXGBXAGGSA-N 401.510 1.922 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CC1(C)C 2174782663 SQUKEKSHDSUOQU-CQSZACIVSA-N 401.529 1.872 30 10 HDEE Cc1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)CS(C)(=O)=O 2202860787 UNZWFCCYIONPMC-UHFFFAOYSA-N 423.749 1.691 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243677252 TYOSSADGMXECIP-LBPRGKRZSA-N 407.276 1.205 30 10 HDEE Cc1nc(NC(=O)CN(C)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2243685286 QXFRPSDTTFBUER-UHFFFAOYSA-N 406.292 1.890 30 10 HDEE C#CCN(CC(=O)O)C(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2243699524 GGFGNFIXIZDKFU-UHFFFAOYSA-N 416.474 1.987 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826095 NVSFXSBSPWTLRP-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2247864128 ATHBVHBVKGUBJG-FOLVSLTJSA-N 417.315 1.909 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2255832901 UADOLOIURJKGGC-APWZRJJASA-N 424.354 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cncc(C#N)c2)C(F)(F)C1 2279125855 DTSOEHZFDLXOND-ZDUSSCGKSA-N 402.423 1.876 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CNCC[C@@H]3CO)c2Cl)OC1(C)C 2281937015 UULFCKLPKFNDCO-ZYHUDNBSSA-N 400.737 1.401 30 10 HDEE CC(C)(CNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)NS(C)(=O)=O 2282202796 IUOSACSNRXOABI-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282309639 IRCUDUMOPJUDFZ-NSHDSACASA-N 422.765 1.489 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2NCC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315619 QFOYVJYSXAKWRR-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE CCCS(=O)(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338651 OWBHAUFQGQAOQT-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H](CN)C2)OC1(C)C 2282420489 ZYAQDYPLHGKRPO-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE COC[C@H](CF)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495359 LHUPVVBWJIBPOM-NSHDSACASA-N 407.700 1.902 30 10 HDEE C[C@H]1[C@@H](C)SCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508611 YQJHXKDYPUUWLS-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)[C@@](C)(O)C3)sc2Cl)OC1(C)C 2282617888 NAEDOIQHMCTRDN-PXAZEXFGSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSC[C@H]3CCO)s2)OC1(C)C 2282859498 NDBYHDXMAOMSIG-GFCCVEGCSA-N 419.399 1.536 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@](C)(=O)CCCCN)OC1(C)C 2282865840 ZJIFJEIVUMMDHB-RUZDIDTESA-N 422.403 1.573 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284407443 LLLKHQWKDLXNQL-SNVBAGLBSA-N 404.319 1.115 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284410161 RYTAKDPMGOAGHC-SNVBAGLBSA-N 421.371 1.450 30 10 HDEE C[C@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284416246 VSZMRYKDNMOQDX-QWRGUYRKSA-N 401.315 1.531 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC(=NO)C[C@@H](C2)C1 2340047015 AOCKKURRCLFYHD-HUUCEWRRSA-N 419.503 1.955 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)c2cccnc2C#N)CC1(F)F 2361773157 OPURQLDFMQPUAY-HNNXBMFYSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)c2cncc(C#N)c2)CC1(F)F 2361774786 XBUSUYKADRHFQN-HNNXBMFYSA-N 402.423 1.876 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1cnsc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c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2370843242 QHJQCEOJEPZGHC-STQMWFEESA-N 401.359 1.827 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)NCc2ccccc2F)CC1 15445559 IZZUWPXOFQRLED-UHFFFAOYSA-N 416.478 1.320 30 10 HDEE C=CCN1CCN(S(=O)(=O)[C@H]2CON(C)[C@H]2/C=C/c2ccc(OC)cc2)CC1 230121315 ASOJJEWXHUCXRW-HHNWVZKSSA-N 407.536 1.456 30 10 HDEE COc1ccccc1CN1C(=NC(=O)CCC(=O)O)S[C@H]2CS(=O)(=O)C[C@H]21 254836395 NRDJKVXKBQPVOZ-OCCSQVGLSA-N 412.489 1.157 30 10 HDEE COc1cc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)ccc1C#N 442847261 CCMCIVTVYUSUTK-HXUWFJFHSA-N 422.533 1.922 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1cnn(C)c1 465963099 UNSXUCWKXQJOFJ-CQSZACIVSA-N 402.480 1.069 30 10 HDEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1 474577617 NORPBUAJWPGMME-UHFFFAOYSA-N 415.512 1.546 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 482310945 FFAFOHMXHSJHKD-GUYCJALGSA-N 403.508 1.862 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)nc1 483570699 FXHHDUBHRXHGEX-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[nH]c2c1 484115902 ZOBIQQMKVZUUCV-SFHVURJKSA-N 416.485 1.724 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 489441764 RTGZCVVDHOFZAF-OAHLLOKOSA-N 400.508 1.146 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(SC)c3)C2)CC1 492352488 BKYUQEILMYJTLJ-INIZCTEOSA-N 416.547 1.208 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503629047 AYAGVFCQVOEJCZ-MKXGPGLRSA-N 422.441 1.618 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCO[C@]2(CCOC2)C1 508798878 YDORNNIXILSEMP-LJQANCHMSA-N 404.492 1.530 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 508952385 QGFDLNMYKATZLM-KRWDZBQOSA-N 401.442 1.540 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCC(C)(C#N)CC1 509407481 PCSBAXVTFSNRDE-UHFFFAOYSA-N 406.552 1.991 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 510387266 BSZDAIASFJIQGS-NSHDSACASA-N 405.398 1.264 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 521577681 QRZFZGCVKIEWCW-CQSZACIVSA-N 410.496 1.806 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)o2)c1=O 525778024 LFPVTFXIXYYJGF-UHFFFAOYSA-N 413.524 2.000 30 10 HDEE N#Cc1nccn1CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 536536044 RMJKHYDLDSCDMG-UHFFFAOYSA-N 420.395 1.556 30 10 HDEE COc1cc(C(=O)Nc2nc3c(cc2C#N)CCCC3)cc(OC)c1OCC(N)=O 540472392 BGPYCZPOSVZQMW-UHFFFAOYSA-N 410.430 1.966 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 541522116 XZEKSAMXYNHHIL-IBGZPJMESA-N 404.474 1.980 30 10 HDEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)sc2nc3n(c(=O)c12)CCC3 546904165 VQHQTVAUHBMTPL-UHFFFAOYSA-N 420.498 1.942 30 10 HDEE C[C@H]1[C@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)CC(=O)N1Cc1ccccc1 547378474 UGJUSMOGANRXSW-KBXCAEBGSA-N 409.494 1.627 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCCC1 572327487 KELGZUHRUWKFCB-UHFFFAOYSA-N 411.549 1.974 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)cc1 580134152 PPRNYPGKSOLCAH-OAHLLOKOSA-N 414.491 1.169 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@H](C)O)cc1 584867897 SDCIYHVCPVBDJL-SGTLLEGYSA-N 423.441 1.489 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccccn2)c1=O 603799342 LMZFGPNOQOMCTL-UHFFFAOYSA-N 404.495 1.630 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 612354108 ZJOMBTFUTVZPGP-INIZCTEOSA-N 402.451 1.485 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)s2)cc1 747312176 FAHBNPNRAXSPHB-UHFFFAOYSA-N 403.445 1.446 30 10 HDEE C#CCNC(=O)[C@H](C)Sc1ccc(Cl)c(C(=O)O[C@H](C)C(=O)NCC#C)c1 750954282 VKYXKGDPCRKILJ-OLZOCXBDSA-N 406.891 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccnc(-n3ccnc3)c2)C1 758433748 WYNYKMMZUFRSML-JKSUJKDBSA-N 411.466 1.826 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C)C1 760297319 WCUHFIJQWFBTOO-HOCLYGCPSA-N 417.535 1.866 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCOc1ncc(Cl)cc1Cl 762289924 FGOFHHDUFFXSRK-YPKPFQOOSA-N 414.249 1.593 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c1 766139293 AUKOTLYUJOEJHY-MRXNPFEDSA-N 406.504 1.792 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCc1ccc2c(c1)OCCO2 766324795 AFCLPJVEXDCKSF-ZDUSSCGKSA-N 402.428 1.740 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3c(F)cccc3F)C2)cc1 771258989 LWEYKMSJALOVOI-CQSZACIVSA-N 419.409 1.836 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(Cl)cc2)N(CCc2nnnn2C)C1=O 771540585 GQBXDNFXPSOORL-LBPRGKRZSA-N 407.887 1.174 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCC(=O)OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 774058075 KESYMZFXZATIPG-ZDUSSCGKSA-N 414.867 1.546 30 10 HDEE C[C@@H](OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)N(C)CCC#N 780256575 UHVCCTBIJKKKGQ-QRWLVFNGSA-N 403.435 1.376 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)Cc2cnn(C)c2)n(-c2ccccc2)c1C 786860674 IYTSZWYGHAQXTN-LJQANCHMSA-N 421.457 1.785 30 10 HDEE C#CCn1ccc(CN(CC)[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1 789328963 GOBOJUACUIVMPM-CVEARBPZSA-N 417.535 1.252 30 10 HDEE C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC(=O)N1C 800525803 RBWUJTSWADBHBS-SFKFPXOQSA-N 407.496 1.194 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C\CNC(=O)OC(C)(C)C 807231653 OVGAEZFAWSACHS-GXMNPTEKSA-N 422.507 1.422 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1ccc(F)cc1 812749900 FCILOEOSDHFHKO-SFHVURJKSA-N 402.447 1.792 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)OC(=O)CC3(C#N)CC3)CC2)cc1 815414191 UEVPPQBTPNPVLW-MRXNPFEDSA-N 419.503 1.454 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O 918848343 SBPNMGDUZRQSQT-UHFFFAOYSA-N 405.410 1.963 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1129171388 AZEXTCCYRPZDJB-ZBFHGGJFSA-N 423.922 1.990 30 10 HDEE Cc1nc(CC(F)(F)F)sc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134057061 ZMTDHAVRDMEKPY-HZMBPMFUSA-N 407.439 1.496 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 1136630553 TYKFBYARZBTFKF-SJCJKPOMSA-N 407.879 1.994 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(I)ccc2F)CC1 1137371837 ZCMRMKAWNSWBPR-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 1138748107 RLCFPBDHLRXXTC-SOUVJXGZSA-N 416.544 1.408 30 10 HDEE C=CCOC[C@@H](NC(=O)CCc1c(C)nc(-c2cccnc2)nc1O)C(=O)OC 1139175537 HMMYKNSMLRZBLA-MRXNPFEDSA-N 400.435 1.346 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)cc1Cl 1139227429 PTADSJLQZHJXQP-HNNXBMFYSA-N 412.833 2.000 30 10 HDEE CO[C@](C)(CO)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1144183873 XANSNYKMZXGMKD-UTKZUKDTSA-N 403.479 1.906 30 10 HDEE C=CCn1cc(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)nn1 1144971645 CLHHZYOZFSIHEA-UHFFFAOYSA-N 413.478 1.576 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C1CCCCC1 1147588135 KLZATPPWKZKQJH-QAPCUYQASA-N 404.536 1.748 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(C)=C\c2ccc(Br)o2)CC1 1152973022 HFHUSAQLWMKPRT-QXMHVHEDSA-N 416.297 1.057 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)c2c(F)cccc2F)s1 1155238218 DPSWRPGZJVKUAA-CQSZACIVSA-N 416.471 1.883 30 10 HDEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)ccn1 1156655542 IMWKQWTXXWJKLR-UHFFFAOYSA-N 420.441 1.949 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 1157446903 RRUJNCRJSOMASV-QBNCKDSPSA-N 417.487 1.291 30 10 HDEE CN(C)C(=O)NC1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1158872817 CHHXYAWYUXCMDO-UHFFFAOYSA-N 409.284 1.962 30 10 HDEE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1161372299 DIAHMEWHEMYXGX-ODVANORSSA-N 405.476 1.025 30 10 HDEE N#Cc1ccc(CN2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c([N+](=O)[O-])c1 1167921936 ZQCCYZJAAPOGHH-UHFFFAOYSA-N 411.443 1.733 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1171814737 NAVKMPLNYSFUDT-UHFFFAOYSA-N 406.450 1.243 30 10 HDEE CCOC(=O)CC1(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1184973849 CVMDGLLSPQMWIO-UHFFFAOYSA-N 408.480 1.361 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1196980646 FHTYDCQBIZABIK-INIZCTEOSA-N 415.490 1.446 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(=O)NCC23COC3)n(Cc2ccccc2)c1C 1197326940 XVPBCGQYCRFURV-UHFFFAOYSA-N 421.501 1.554 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1213430360 QUZKQBVPNPTGKD-UHFFFAOYSA-N 417.306 1.519 30 10 HDEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1213936756 BWJNFKBFWBIMLP-YJYMSZOUSA-N 407.492 1.869 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CC[C@](C)(C#N)C2)C1 1248620527 TXKRSALQQQRKOE-KBXCAEBGSA-N 414.528 1.356 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1278476556 CIEHSNQZAHWCIF-UHFFFAOYSA-N 420.531 1.334 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnccc1OC 1286365923 NEQVFFOKQVFTMO-UHFFFAOYSA-N 411.487 1.870 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1286451798 BKBXQVZSGMOWEY-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](SC)C(C)(C)C)CC1 1286471088 HURPJUIHGRCJJZ-MRXNPFEDSA-N 406.600 1.949 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286494785 PTWJFJCLWUIAJV-TWOQFEAHSA-N 421.567 1.555 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@@H](C)CC 1286581260 HGIOWAMPKRZHMM-JKSUJKDBSA-N 411.572 1.887 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 1286790674 JCSSBFNBVVQCEP-AWEZNQCLSA-N 405.524 1.744 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(N(C)C(C)=O)CC1 1286790863 YTVTYKYOPKEYRO-UHFFFAOYSA-N 416.551 1.680 30 10 HDEE C=CCCn1cc(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)nn1 1288211448 AGXWHBWZUSFRLU-ZAZQZGKISA-N 401.511 1.538 30 10 HDEE CCN1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)C1 1296035728 DRCOYHVMANIUOI-YJBOKZPZSA-N 411.466 1.924 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1300357820 YLEJTKIIKNUXAB-UHFFFAOYSA-N 419.489 1.322 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1300364222 JCTNODVKYLVMOX-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N(C)C)CCOCC1 1300473033 NBVBRWQMOHQVQO-UHFFFAOYSA-N 408.506 1.909 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1C 1300579478 SBPDFYHQACNBLI-UHFFFAOYSA-N 413.445 1.234 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1300597846 VZVVGMJXLNENKC-QGZVFWFLSA-N 417.897 1.736 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCn2ccnc2C1 1300673547 OIJJQAFURUTCIC-LJQANCHMSA-N 405.506 1.809 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C1 1301555352 VRAPSIOHHRXOTG-LSDHHAIUSA-N 402.499 1.056 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1301613351 WLBFAXKZDJVTCB-ZNMIVQPWSA-N 400.570 1.713 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1301849782 FAZPGPKZGCSFPR-GOSISDBHSA-N 420.477 1.020 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1301955828 ACUQLXQXROVZCD-LJCCNALRSA-N 407.515 1.454 30 10 HDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)cnn1CC(C)C 1304109530 YSAZJJIFLRHYED-UHFFFAOYSA-N 418.505 1.962 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)CC1 1311718567 IRXCGWSVNBWDDK-UHFFFAOYSA-N 407.536 1.823 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1312696608 APVGHMZKMAVORO-FQEVSTJZSA-N 412.534 1.401 30 10 HDEE CCN1CCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1313902482 YXVSYTDLXZHTRF-DLBZAZTESA-N 401.540 1.847 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1316263729 IGYVTSVTQVWQIE-QFBILLFUSA-N 415.494 1.720 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCCCO1 1316296727 CHUYSRDWFLYEIA-FJIDUMEYSA-N 405.499 1.690 30 10 HDEE CSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316473805 WNJHMRRIIVQRDX-MRXNPFEDSA-N 403.556 1.444 30 10 HDEE C[C@@]1(c2cccc(CNC(=O)NCc3cccc(OCC#N)c3)c2)NC(=O)NC1=O 1322829138 URWTUDUGHLMWIP-NRFANRHFSA-N 407.430 1.643 30 10 HDEE CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)NCCN(C)C 1335972660 CFYZULAPEBJKSL-MJGOQNOKSA-N 413.522 1.120 30 10 HDEE CCOC(=O)C1(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCOCC1 1352474522 PXAZBOKUJPJRCU-UHFFFAOYSA-N 400.479 1.788 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1358999409 QGAILAMHCBWLFB-KRWDZBQOSA-N 411.510 1.374 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1359092017 VVZOEPGCSNXZEI-ULQDDVLXSA-N 411.572 1.854 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC)[C@H](C)C1 1359104161 YTIQRYRMTKDOEO-LQWHRVPQSA-N 416.570 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCCCCC2)C1 1359297735 AJAMOBPSENBYDG-UHFFFAOYSA-N 413.526 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359332548 AIERJRADYCHYKD-KRWDZBQOSA-N 422.555 1.389 30 10 HDEE C#CCN(CC(=O)N1CCN(Cc2cccc(F)c2)C(=O)C1)C(=O)OC(C)(C)C 1444263283 FFTUQHOVWJMLDJ-UHFFFAOYSA-N 403.454 1.867 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1448578290 SWDZXRIUTHELJX-ZACQAIPSSA-N 409.527 1.847 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1450528732 RSYLJYZZVOYCSD-MRXNPFEDSA-N 416.499 1.943 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CC)(NC(=O)OC(C)(C)C)CC2)C1=O 1455276031 UFXZEJAQGYXOSB-UHFFFAOYSA-N 422.482 1.259 30 10 HDEE C[C@@](O)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccc(F)c1 1455957473 PCYHUFDQZOBZMY-LJQANCHMSA-N 405.451 1.655 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c(=O)n1C 1459208253 BYFKOUUXZIEUDU-IBGZPJMESA-N 412.446 1.012 30 10 HDEE C=C(C)[C@@H](NCC(=O)c1c(O)nc(=O)n(CCOC)c1N)c1ccc(F)c(F)c1 1459980691 PYUZVERSGTUHMC-MRXNPFEDSA-N 408.405 1.545 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)cc2)nc1 1462235669 GUBMWJQUWZWGMF-NRFANRHFSA-N 408.414 1.103 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2cccc(C#N)c2)C1=O 1464069026 QYGHETLEKOOODZ-QGZVFWFLSA-N 400.479 1.938 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1465060051 PPJNFRMMRXFMHP-BFYDXBDKSA-N 409.508 1.380 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1465278356 HEPKLFMIDOXHHN-SFHVURJKSA-N 416.547 1.451 30 10 HDEE COC1(OC)CCOC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470328523 VSAVKSMADFWGMH-CJNGLKHVSA-N 407.854 1.459 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)c1 1471068935 OGLOSEAVRJFLSW-VQTJNVASSA-N 403.442 1.785 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H]1CCCCN1C(=O)c1ccc(O)nn1)C2 1472224748 QLAZYSPELWMFNV-AWEZNQCLSA-N 412.475 1.277 30 10 HDEE C#CCN1CCC[C@@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1472875677 GFSXZAPTUWIBCH-MRXNPFEDSA-N 421.523 1.040 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1473581291 KKNZJHAGSVKQEA-SFHVURJKSA-N 419.547 1.059 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 1475922994 XIVUQGLKVCSFEY-UHFFFAOYSA-N 400.888 1.274 30 10 HDEE CCc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)no1 1498338243 BAZVVKYMIGOTCU-INIZCTEOSA-N 420.477 1.925 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1503275077 VQVKZBOVNWHPAL-PBHICJAKSA-N 420.514 1.940 30 10 HDEE CO[C@@]1(Cn2c(-c3cnn(C)c3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1504049757 HIJFZDCCFACOSV-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE CS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1505148322 YKGMUPZVXXRVNP-INIZCTEOSA-N 410.544 1.241 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507553335 DHCQFXUFZCBLLN-INIZCTEOSA-N 407.478 1.540 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1507581335 QPTBIGCASDVMAC-FXAWDEMLSA-N 409.538 1.675 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507621446 ANFYZMKNMPATDJ-OCCSQVGLSA-N 408.553 1.627 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCc1ccco1 1507644957 QDQSSTXNAFKAAB-UHFFFAOYSA-N 418.413 1.836 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)s1 1507701713 AFIMJFVEJBCWLC-AWEZNQCLSA-N 411.553 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1CC 1507702966 PGHRCVDCPMOMSD-QGZVFWFLSA-N 411.510 1.496 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCCCC2)CC1 1507719397 NMJDTXBZBNIHOH-QFIPXVFZSA-N 417.554 1.381 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)CNC(=O)C2 1507746147 LPTSJQJOSPTCGR-MRXNPFEDSA-N 421.567 1.475 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@H]1C 1507747425 XBMQDDZICHNLOI-CVEARBPZSA-N 409.556 1.426 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1507810182 WFDWJDPPZWAJCT-VDZJLULYSA-N 423.583 1.682 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507882902 OTJPLHLDSUXTCM-MRXNPFEDSA-N 405.528 1.259 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N(C)[C@@H](C)CC(N)=O 1508074191 OYRVVFRQUGULEK-LBPRGKRZSA-N 420.901 1.609 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(C)C)C1 1508091930 PNJAOCFDTLMQKH-CVEARBPZSA-N 409.556 1.355 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1508161756 NAPWVJPCJUJONB-SJORKVTESA-N 409.556 1.433 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC=CCO1 1508417147 HWCKGHXFRFEVMR-QAPCUYQASA-N 405.466 1.862 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1521115539 XQTNPRPSYSOZAF-ROUUACIJSA-N 415.542 1.206 30 10 HDEE C=CCn1cc(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)nn1 1521632334 XYWGCNSEEYTWQC-UHFFFAOYSA-N 410.522 1.565 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1525055192 YLWVLKXNHDZWDT-ZJPZJRRFSA-N 417.259 1.402 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)NC[C@]23COCCN2C(=O)COC3)c1 1532279889 DGSMNJWLNXHYHC-HSZRJFAPSA-N 421.453 1.495 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1534425009 UBPZZCOGAAOZAV-GFCCVEGCSA-N 403.298 1.468 30 10 HDEE COC(C)(C)c1nsc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)n1 1535059000 RKWWECBTHFJQFK-UHFFFAOYSA-N 409.493 1.864 30 10 HDEE COC(=O)C1(NC(=O)c2cccc(C#N)c2Br)CCS(=O)(=O)CC1 1538232935 TYMWEXZXIANKCD-UHFFFAOYSA-N 415.265 1.171 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1539026541 WNLYYKOVDQIMDC-KRWDZBQOSA-N 416.547 1.461 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539071825 FIBCJDQUZAUQEZ-ZJPYXAASSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539201445 ABJVWFXFIDOGHF-NUEKZKHPSA-N 407.540 1.404 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539223239 ZRFSZJFLUPAIBN-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)CC(F)(F)F)CC1 1539446822 JVCSNKFAMUWIHR-INIZCTEOSA-N 414.476 1.421 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@]34OCCC[C@H]3C4(F)F)C2=O)cc1 1539451407 WQKQCCNWJBWXNE-KHYOSLBOSA-N 418.400 1.694 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](CC)OC)CC1 1539481321 LBAFSBVXVLJMET-QZTJIDSGSA-N 403.527 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCOCC)CC1 1539483134 ZPGVPCBQAIQLQU-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1539668115 SXBILAWXRYKJTL-RBUKOAKNSA-N 417.602 1.905 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)[C@]4(C#N)CCCOC4)CC3)n2)cc1 1540560876 DLXKKHBUYDQXAZ-NRFANRHFSA-N 411.462 1.710 30 10 HDEE N#C[C@H](NC(=O)CCn1cnc2c(N)ncnc21)c1ccc(Br)cc1 1540752432 DCRWLAXBYLWXTR-LBPRGKRZSA-N 400.240 1.942 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540865209 YEAFACYGFZZJMH-GJZGRUSLSA-N 415.494 1.878 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1540872903 FKENIHXKWTYJAV-SJLPKXTDSA-N 423.521 1.680 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540902055 YYRQDQHDBRRLSQ-UHFFFAOYSA-N 403.508 1.492 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1Cc1ccc(C#N)o1 1541938807 MFBZDECYKVARHS-ZDUSSCGKSA-N 404.496 1.782 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)c1 1542111534 JEUJUBRIERSSQT-UHFFFAOYSA-N 415.490 1.731 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccnc(-n4cncn4)c3)CC2=O)cc1Cl 1544263674 OGPOJEKRTOBVHM-OAHLLOKOSA-N 421.848 1.857 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 1545202295 VWGZWRUNDIZDGP-KBPBESRZSA-N 403.907 1.776 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555454163 VRUUELRSMIFZJZ-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)NCc2ccc(C(=O)NO)cc2)cc1F 1556381864 KUFBBOCYZDRMNU-UHFFFAOYSA-N 408.407 1.237 30 10 HDEE O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N[C@H]1CCN(O)C1=O 1556749497 INNLSWPZSRCTCM-UTEVDWOZSA-N 411.530 1.836 30 10 HDEE N#C[C@]12CN(C(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1558642777 CQMKOBIWUDMLHO-SIKLNZKXSA-N 423.494 1.480 30 10 HDEE COc1cc(N2C[C@H](C(=O)NCC#C[C@H]3CCCCO3)CC2=O)cc(OC)c1OC 1558750252 BEAVVCRPVQSRTB-NVXWUHKLSA-N 416.474 1.754 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1560210248 QEVGOMOCWOGGHG-KRWDZBQOSA-N 409.939 1.661 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 1561423494 DBTJMCUGYHQXCF-HIFRSBDPSA-N 401.282 1.937 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1563691331 FRGWUKNOFJAJNR-WMZOPIPTSA-N 407.536 1.945 30 10 HDEE CCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nn[nH]n1 1566226980 IJOZEHBXEMBKHX-SGJMOYSZSA-N 403.487 1.944 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cccnc1)C(C)(C)CO 1570774320 CNHNXHQMIJJPOR-KBXCAEBGSA-N 416.503 1.496 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)c2ccncc2)s1 1570871316 JDPAIWUQKQCPFV-OAHLLOKOSA-N 423.516 1.571 30 10 HDEE N#Cc1ccc(OCC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1Br 1585524272 URHCRWYFDSEHLM-QXMXGUDHSA-N 413.293 1.924 30 10 HDEE CN1CCN(C)[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1585926520 MDOQZZPVPDVPFR-INIZCTEOSA-N 406.328 1.119 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 1586777416 GOXXWZIJESHVIJ-QFIPXVFZSA-N 411.458 1.183 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1587640186 PSGKCQSPZCQXKC-RISOHXOYSA-N 420.535 1.756 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2CCCn2cnnn2)c1 1587683981 QENUMJISGYUWKX-MRXNPFEDSA-N 421.509 1.925 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1588055015 RMJJHYABRUPPIN-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC[S@](=O)CC)CC1 1588858165 YBSCKXPYPLIXQV-GDLZYMKVSA-N 413.591 1.977 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(C(N)=O)CCCC2)CC1 1588884554 FALJAHWYOUYHKY-UHFFFAOYSA-N 414.554 1.587 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)N(C)C)CC1 1588929468 AGVOFXKZCSYCDR-WMZOPIPTSA-N 402.543 1.088 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)SC)CC1 1588954120 AFNHCDHPPMQNLI-MRXNPFEDSA-N 412.563 1.981 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1595399401 YBVLRZPJLHKTBL-QGZVFWFLSA-N 413.526 1.738 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1595544994 PGFXRVNIQBSABD-ZWKOTPCHSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1595562303 UCXMHLJDVKHBAS-IBGZPJMESA-N 410.522 1.819 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1595603014 VIWFQPFYXICDQL-LJQANCHMSA-N 421.505 1.630 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1596814591 XNKUUQSGPBFFFA-QWHCGFSZSA-N 420.495 1.036 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1608060132 NBOAHESVYAGUPC-ROUUACIJSA-N 418.542 1.136 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1608399384 AQYABVXJXFZDED-UIAACRFSSA-N 420.489 1.586 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)C1 1611246290 WVTXPSJJOCXFFT-XDQVBPFNSA-N 421.416 1.846 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCO[C@](C)(C#N)C2)cc1 1611484290 DBIFTQVAEKBCBS-UYAOXDASSA-N 419.503 1.573 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCO1 1614215024 CSAFENUJXWCBFB-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1614454466 DCXUYACPZFFTNL-SFHVURJKSA-N 412.494 1.822 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCc2noc(CC)n2)CCOC1 1616139827 BQHJOOQTOCAOJV-IFXJQAMLSA-N 403.487 1.714 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1618453520 RRIKAGWVACRHGI-GJZGRUSLSA-N 415.918 1.872 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3CCCC4(CC4)S3(=O)=O)c2C#N)C1 1618706419 XHKVEUJUKZKBSM-UHFFFAOYSA-N 422.532 1.421 30 10 HDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCC1 1619048918 BJGVOXFUYMMEAG-CQSZACIVSA-N 410.544 1.587 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1619484969 HOXDBKNLWWPLEH-MKSNKDDYSA-N 424.571 1.833 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(N2CCNC2=O)CC1 1625230049 IPRAHOPCQAWPNK-MRXNPFEDSA-N 407.515 1.980 30 10 HDEE COc1cc([C@H](C#N)NC(=O)C[C@@H](O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1626077702 UITATEBANGOAPM-KGLIPLIRSA-N 423.466 1.669 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc2ccccc2n1)C(=O)OC 1626188442 YUXWCDKEKQIAIP-QZTJIDSGSA-N 413.499 1.767 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1627307087 QDAVRFKSTOEAMH-INIZCTEOSA-N 406.527 1.215 30 10 HDEE Cc1cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nc(N2CCCC2)n1 1629076047 FEEKTDIAWQUNKQ-UHFFFAOYSA-N 417.466 1.752 30 10 HDEE C=CC1(CC(=O)N2CCCN(CC(=O)OCC)CC2)CN(C(=O)OC(C)(C)C)C1 1629420560 LIUNILYYORTDGL-UHFFFAOYSA-N 409.527 1.897 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1630314325 LLHRJEMPTVOCDJ-CYBMUJFWSA-N 406.435 1.749 30 10 HDEE C#C[C@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)[C@H]1CCCO1 1633397473 LSNHWQBNBCEGTA-OKZBNKHCSA-N 402.447 1.532 30 10 HDEE C[C@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)NCCF 1633922378 FANHWEAQWXLXIJ-GUYCJALGSA-N 418.469 1.983 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cc1 1635288165 HXFDVBFMCKJSCW-WLMCBFPDSA-N 410.396 1.861 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)CC(=O)OC)c1 1635407967 IHDIENDBQOXAHK-UHFFFAOYSA-N 406.382 1.166 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1 1635499354 QTMCSBNUKZPMEK-UHFFFAOYSA-N 401.488 1.778 30 10 HDEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)CC1 1636096091 DDHOJNJJIXEUFK-OAQYLSRUSA-N 411.550 1.976 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(OC3CN(C(=O)OC(C)(C)C)C3)CC2)nn1 1636331237 WVCLVPNDZGCBOH-UHFFFAOYSA-N 420.514 1.774 30 10 HDEE C=C(CC)CNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1638020302 LESMUMWQYBGJBO-HNNXBMFYSA-N 422.956 1.504 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1638024452 WXFFYVQKFUUURK-HYEKCJMVSA-N 406.483 1.807 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)c[nH]1 1640062144 IMSBAWWGKJHVAI-DGCLKSJQSA-N 414.384 1.880 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)nc1 1640995487 OANLHFHMQXYOJT-UHFFFAOYSA-N 421.413 1.993 30 10 HDEE C#CCN1CCN(C(=O)C2(C3(O)CCN(C(=O)OC(C)(C)C)CC3)CCC2)CC1 1642209051 WUOGMQBKYAVUBG-UHFFFAOYSA-N 405.539 1.696 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCN2)c1 1643030558 BKTQZTBNHDRFIP-IBGZPJMESA-N 414.487 1.018 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(OC)OC)CC1 1645205680 BMBDFTZCKHAJTH-OAHLLOKOSA-N 413.515 1.526 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1645733375 GJFGDYNZDKEQDZ-MRXNPFEDSA-N 423.340 1.180 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N 1645746236 PVYJSVZDYFXQPS-CVEARBPZSA-N 421.542 1.499 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCC2(OCCO)CCC(C(F)F)CC2)cc1 1645767928 QHQDSFXNSGASAZ-UHFFFAOYSA-N 409.433 1.607 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2OC(C)C)CC1 1650846235 OKIZBHVEAAEZBT-UHFFFAOYSA-N 415.462 1.177 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1652016857 FVDGRUPMALURNN-YWZLYKJASA-N 414.499 1.653 30 10 HDEE CCN(CC(F)(F)F)C(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1652861635 ICGGQBODGSWVKW-UHFFFAOYSA-N 418.441 1.275 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3nccc4c(S(N)(=O)=O)cccc34)CCO2)cc1 1652918756 AJXXJQGSBZTKTB-GOSISDBHSA-N 422.466 1.968 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CO)(C(F)(F)F)CC2)c1 1653090370 LQTBEPTXBLQYTN-UHFFFAOYSA-N 408.373 1.900 30 10 HDEE C#CC1CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)CC1 1654002335 URHSLPDJJHYUMO-UHFFFAOYSA-N 403.527 1.665 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1662781996 DBOLSMFSECKYHR-MJGOQNOKSA-N 406.504 1.699 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1665796761 BTRYTNZWUYHHCN-HNNXBMFYSA-N 404.529 1.772 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)nn1 1668505132 RUVBPPUVVADDAE-UHFFFAOYSA-N 401.490 1.745 30 10 HDEE C#C[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C1CCOCC1 1670502837 YIVAHPDDRCDRRD-ZDUSSCGKSA-N 413.297 1.507 30 10 HDEE C#C[C@H](NC(=O)NCC1(OCCO)CCOCC1)c1ccc(Br)cc1 1674025781 MORHMYBDHXXRHQ-INIZCTEOSA-N 411.296 1.981 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)n1cccn1)[C@H]1CCS(=O)(=O)C1 1678516531 XMUDQYUMWMHKGX-ROUUACIJSA-N 420.922 1.958 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1681129990 INDQQVIQEAEBOR-PCCBWWKXSA-N 410.518 1.457 30 10 HDEE Cc1nccnc1CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1682912617 DIZUKPOUWYBVTH-UHFFFAOYSA-N 407.434 1.979 30 10 HDEE C#C[C@@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)C1CCOCC1 1682943370 WRTYPAWYUSQLHD-MRXNPFEDSA-N 408.296 1.907 30 10 HDEE Cc1cc2c(CCNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c[nH]c2cc1F 1687187387 WFEUCYLWZOSDON-UHFFFAOYSA-N 410.409 1.558 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1690076902 DJEPRHWBCDJFAY-OALUTQOASA-N 416.547 1.897 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(OC)CCC(C)CC1 1690102966 YYKBXQFVALIRFX-BATSVXPKSA-N 403.527 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)CCC)CC1 1690142925 YIQDSYKEDMOKBK-OAQYLSRUSA-N 411.510 1.252 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1690181143 PKTAPYAEQVTERS-UHFFFAOYSA-N 405.524 1.156 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1690523165 VNNYJJAJFRVIJA-IBGZPJMESA-N 401.540 1.565 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1696843686 WJBPWSGRVZTZAJ-UKRRQHHQSA-N 405.480 1.308 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1697698139 IFLZQESQUYLICZ-IPMKNSEASA-N 424.505 1.570 30 10 HDEE COC[C@@H](Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1697765545 UYLDZRJSCYEPMM-GOSISDBHSA-N 413.526 1.731 30 10 HDEE COCCCN(C)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1697988897 NODCMDQDPNRHTG-QGZVFWFLSA-N 414.510 1.651 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705532712 DUHBFZOIBRBMKD-ZWKOTPCHSA-N 411.510 1.361 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705560893 OETZGGKVMCUGOK-QGZVFWFLSA-N 407.584 1.688 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@](C)(CC)O1 1705629043 WAMHYISTEJIPHZ-FUHIMQAGSA-N 424.567 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)Oc2ccccc2)CC1 1705638097 YAIDHMYAKKDARL-GOSISDBHSA-N 405.506 1.901 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCO[C@@H]2CCOC2)CC1 1705650293 ONSURDRQEQCUMT-LJQANCHMSA-N 415.538 1.392 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705728661 ROGRPOZWNVJYMB-UWJYYQICSA-N 418.542 1.935 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N2CCCC2)CC1 1705822220 XEUQMYUBTFYYOK-UHFFFAOYSA-N 415.542 1.705 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705899358 QBYWTVFSRRDFRO-INIZCTEOSA-N 414.485 1.739 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1705909453 XNVSVVHBDYNCJL-RTWAWAEBSA-N 421.542 1.626 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCSCC1 1706302436 XDKUCCDHGTYGQE-UHFFFAOYSA-N 413.551 1.985 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@]1(N(C)C)CCSC1 1712458943 CPDHBINOMCRQBT-APWZRJJASA-N 408.572 1.933 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1c(C)noc1C 1712647941 NCUSQSPIOZKIQF-JZXOWHBKSA-N 416.482 1.578 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722323835 XQIMRJIUFNFYLD-QGZVFWFLSA-N 409.556 1.793 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCc1n[nH]c(C)n1 1722357682 MWZGMLOEOSCDMY-GASCZTMLSA-N 414.514 1.787 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCCO 1722380489 NROAWZRXBSWGFZ-UHFFFAOYSA-N 418.501 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC)CC1 1722443664 LWLPENWTJMVOBA-NRFANRHFSA-N 403.527 1.696 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1722457978 AOYHRRVYGPQXQK-CYBMUJFWSA-N 416.507 1.074 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](CNS(C)(=O)=O)C2)nnc1C(C)(C)C 1722464268 ZTGKJGMAVDXBGT-OAHLLOKOSA-N 413.613 1.708 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N(C)C)CCSC1 1722677399 DBNXYNZYBKCQBA-IBGZPJMESA-N 405.572 1.755 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722737254 YFIBFOWIGUVZLP-CQSZACIVSA-N 421.527 1.605 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1723627447 JWBHFBAFOJYKFC-JOCHJYFZSA-N 424.505 1.727 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1724011407 QBZMMBANIVJDBM-IFXJQAMLSA-N 414.491 1.823 30 10 HDEE CCc1nc(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)cs1 1727456205 CNCMIAOHMBIGIO-GDBMZVCRSA-N 420.539 1.992 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1729304205 AQYFKHUUBNZGKM-OAQYLSRUSA-N 423.477 1.326 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1730639285 PSGXAYYUUOVXEY-DYESRHJHSA-N 415.494 1.741 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[C@@H]2COCCO2)CCO1 1731187095 XJTGMHVUUIJPDO-SJORKVTESA-N 414.422 1.388 30 10 HDEE C=C(C)C[C@H](C)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1736172651 SZRYAZSSTMFJNC-MPCCQONLSA-N 400.479 1.440 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740887854 DVGBFNGAQABFGK-DYESRHJHSA-N 419.526 1.334 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCOCC1 1740936327 PNZNWNBGJDBUQE-UHFFFAOYSA-N 410.478 1.960 30 10 HDEE C=CCn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1740950248 YICUBWKZMKFDAZ-QAPCUYQASA-N 400.545 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740994047 HWHFLQNHZPDAJB-INIZCTEOSA-N 423.539 1.252 30 10 HDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)s1 1744516313 DYWIOXWRXQLKEB-UHFFFAOYSA-N 413.532 1.848 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCc1ccccc1 1748635450 SRTPQWDKLURXST-QGZVFWFLSA-N 408.506 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(C)(=O)=O 1748831749 WRLQICHHKTWJQL-UHFFFAOYSA-N 402.476 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCCC2)CC1 1749009964 YHLIKTCEHOMEGE-UHFFFAOYSA-N 408.506 1.611 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1749392033 YDJGNHSNAOCZDW-ZDUSSCGKSA-N 408.532 1.165 30 10 HDEE CC(=O)NCCCn1c(CCOc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 1750046296 WUXYYUBSPKGKEZ-HXUWFJFHSA-N 400.458 1.868 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)NCC(F)(F)F 1750117863 HLSHUOOBZSNBBP-DYEKYZERSA-N 418.420 1.276 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1750141083 PZDUFYBVVUYYRC-ZSOFBXJNSA-N 414.466 1.217 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CC1 1750256003 DGBMAYIHKBJQAG-CZUORRHYSA-N 412.585 1.914 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1751282998 RKEDOWZPYOKDFA-LJQANCHMSA-N 404.421 1.800 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760136523 YBMKRRCJTSIDIQ-MRXNPFEDSA-N 419.555 1.248 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760153824 FGDYFEUANDIYJM-UHFFFAOYSA-N 412.513 1.632 30 10 HDEE C#CCN(c1nnc(C)n1CCCCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760181378 UGLRQCDFIPEOEU-IBGZPJMESA-N 407.584 1.869 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1760206103 QYPHPWUHVRCQRA-CABCVRRESA-N 403.533 1.513 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCSC1 1760210709 TZRXLWSEYNLOLR-FQEVSTJZSA-N 400.479 1.937 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1760250667 MWIUVKXUFYAAHQ-QFIPXVFZSA-N 408.506 1.361 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1760255542 DJZLJENPKIWIIT-QFIPXVFZSA-N 408.506 1.187 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1760284883 UHPINWPTCLSSED-UHFFFAOYSA-N 419.576 1.644 30 10 HDEE C=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS(=O)CC1)c1ccccc1 1760362969 AVSJWGYFHMALEJ-QGZVFWFLSA-N 420.560 1.462 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1)C1CC1 1760476858 IUUBVXQULXFNJR-AWEZNQCLSA-N 424.552 1.271 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1ccccc1 1760522048 KQCNQLDXJZBDLZ-KRWDZBQOSA-N 417.535 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCS[C@@H](CC)C1 1760554987 SUHGSHQTDCRVJJ-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CCc1nnc(N2CCN(c3nc(C)cc(OC)n3)CC2)n1Cc1ccc(C#N)o1 1764917421 LPIBZPFNMNHOCR-UHFFFAOYSA-N 408.466 1.787 30 10 HDEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1767356875 BGBQVMCEXYNNMH-HNNXBMFYSA-N 416.486 1.274 30 10 HDEE COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1769724722 CVEFWDMBBQOABE-UHFFFAOYSA-N 407.482 1.308 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)F)CCN1C1CC1 1771536145 KGTXZBKBEVQZGP-OAHLLOKOSA-N 423.468 1.320 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)cc1 1772842516 IJNOAUYAUHAWPL-ZDUSSCGKSA-N 421.461 1.749 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1772842538 YCVQMXYRKFUDAH-QFBILLFUSA-N 423.521 1.710 30 10 HDEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCc4[nH]nc(C#N)c4C3)n2)cc1 1848941379 XIDIWLQKUWGZOP-CYBMUJFWSA-N 404.430 1.660 30 10 HDEE COc1ccc(C(=O)COCCN2CCN(c3ncccc3C#N)CC2)cc1OC 1851916160 KHLUNEIQMMCNAQ-UHFFFAOYSA-N 410.474 1.992 30 10 HDEE C[C@@H](CCC#N)N1CCc2ncn(Cc3ccc(S(C)(=O)=O)cc3)c(=O)c2C1 1851937457 NVWCTAIKLCBPEF-HNNXBMFYSA-N 400.504 1.745 30 10 HDEE CC(C)(C)c1ccc(C(=O)N2CCN(CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1852541862 AVLCVMOLFWFDAB-UHFFFAOYSA-N 409.490 1.576 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CCON=C(N)c1ccc(C)n1C)CC2 1853405110 AAJSPCNLOBQNND-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1 1854120960 OXSJWZGJEDOCSA-MWLCHTKSSA-N 409.247 1.773 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1C[C@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854393972 UWPHQOYZFLRDIA-KRWDZBQOSA-N 416.455 1.966 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)[C@H]4CCCO4)C3=O)CC2)n1 1854439867 QNEIASLLOIBHCS-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)C1 1854561813 UCBBWSSLSQYPOE-UHFFFAOYSA-N 419.547 1.968 30 10 HDEE Cc1cc2ccccc2n1CCC(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854694744 SLTFYPVELDNAAS-HNNXBMFYSA-N 402.476 1.253 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC[C@@H](Oc4ncccn4)C3)CC2=O)ccn1 1855728367 VIXKHUWPLATDFS-MAUKXSAKSA-N 406.446 1.275 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCc4c(OC)cccc43)C2=O)CC1=O 1856004820 KENDYDSUEMOMTO-APWZRJJASA-N 411.502 2.000 30 10 HDEE C=CCN1c2ccccc2N(C(=O)CN(CCOC)S(C)(=O)=O)C(=O)C[C@@H]1C 1856324172 GRXLUYDDHJFMBA-HNNXBMFYSA-N 409.508 1.239 30 10 HDEE Cc1cccc(C)c1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856886037 KNBSMZVYDFNZFF-MRXNPFEDSA-N 405.476 1.830 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2sc(C)nc2C)C1)[C@H]1CCN(C)C1=O 1857104632 LYGDGAIVLHMECE-CVEARBPZSA-N 404.536 1.857 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C2CCN(C)CC2)C1=O 1857141180 BYLUKUZKFSONOS-CQSZACIVSA-N 404.492 1.197 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C(=O)C2)cc1 1857404003 SMXJICMGMBFHKQ-UHFFFAOYSA-N 415.446 1.342 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccncn1 1857482997 HYYAWVAXSIOFNH-UHFFFAOYSA-N 400.460 1.793 30 10 HDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870141707 GYHRMSNZFYDMPS-UHFFFAOYSA-N 416.353 1.102 30 10 HDEE C=CCn1cc(OCC(=O)N2CCC(C)CC2)c(=O)cc1CN1CCN(CC)CC1 1870495382 DBVPSVIGDGCUJO-UHFFFAOYSA-N 416.566 1.809 30 10 HDEE C#CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871006786 WVSFNUISANHRQP-QGZVFWFLSA-N 421.453 1.877 30 10 HDEE C=CCn1c(C(=O)Nc2ccc3n[nH]cc3c2)cc2c(N(CCO)CCO)ncnc21 1873646470 KXFCPKIZHTUXQY-UHFFFAOYSA-N 421.461 1.537 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1890847045 GJGYQFBKFBSWKV-FUHWJXTLSA-N 407.511 1.535 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029230686 MNJOJUHLANUDEW-UHFFFAOYSA-N 406.504 1.754 30 10 HDEE Cc1cc(C#CCN)sc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2039320348 JTAAZRLKYPLEPB-UHFFFAOYSA-N 417.512 1.082 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@@H]4OCCO[C@@H]4C3)c(Br)c2)OC1(C)C 2116147995 JSWFGVIWNSFFJD-OKILXGFUSA-N 411.105 1.747 30 10 HDEE C#CCOC1CN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 2146892810 RSSBFFIOCWYHEP-UHFFFAOYSA-N 424.114 1.817 30 10 HDEE COC[C@]1(CNS(=O)(=O)N2CC[C@H](C#N)C2)CCCN1C(=O)OC(C)(C)C 2174784232 LWMIRNLFAZIEMV-RHSMWYFYSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 2180137640 NRWSHGLWISYODR-SJCJKPOMSA-N 408.467 1.574 30 10 HDEE CC(C)(C#CC(=O)NCCc1ccc(S(N)(=O)=O)s1)NC(=O)OC(C)(C)C 2202911489 KWPPMXPQERHWIK-UHFFFAOYSA-N 415.537 1.361 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243405469 GVFJNUMJVCXABP-UHFFFAOYSA-N 406.292 1.373 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243421044 DHKGONLDQIFVMG-UHFFFAOYSA-N 409.267 1.774 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247828289 NCEIZIUVDKYXQM-AWEZNQCLSA-N 422.335 1.988 30 10 HDEE CCN(CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2247833956 OMHRVCIWNFCBBL-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247841615 WYYPQCAQKGRKGF-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2247861401 KSAPFGYBGZTVHB-UHFFFAOYSA-N 421.303 1.026 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267704114 ILHQHDKAIFAWES-JNDILOIQSA-N 407.388 1.401 30 10 HDEE CCO[C@@H]1C[C@@H](N)[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282057262 DWHMXGQZSOENIT-WZRBSPASSA-N 400.737 1.935 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CC[C@@H](O)C1 2282321680 AKQXWAISPPTSIV-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2282485336 KASKYGIMWFWLBM-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@](C)(O)C(F)(F)F)OC1(C)C 2282489396 GCLANOMIKCPARR-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE CNC(C)(C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491397 LHUWPXNQECMJDX-UHFFFAOYSA-N 402.753 1.916 30 10 HDEE C[C@@H]1NCC[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512797 VUFPHLACGMZOPD-SMDDNHRTSA-N 400.737 1.668 30 10 HDEE Cc1sc(C(=O)NCCCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2282638305 KWYGYDDTKZCRGL-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(O)CCC1 2282827180 XCPWHIJWGKTKHK-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE CC[C@H](O)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282831767 DQJKHTWAVHVDID-LBPRGKRZSA-N 404.363 1.365 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N 2282836617 MHOXATYTYPIZRT-RISCZKNCSA-N 400.737 1.607 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@](=O)[C@H](C)C1 2282841658 PEXZZQHVOPUKAO-NDHGSNPTSA-N 419.399 1.497 30 10 HDEE CC1(C)OCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845581 VVAGEIHHCQXBEJ-GFCCVEGCSA-N 402.347 1.429 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2282861735 SEMMMJANDMZJHT-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)OC 2282877378 QOHHFZNUUIURTK-LBPRGKRZSA-N 403.331 1.418 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCO)CC(F)(F)F)OC1(C)C 2282883043 UUMPCZJSGSKMGK-UHFFFAOYSA-N 415.264 1.593 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284401667 CKKMADQAWWJRDH-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](C(=O)O)C(F)(F)F)OC1(C)C 2284404457 YTKQJVIJNYAFLT-SECBINFHSA-N 415.220 1.341 30 10 HDEE O=C1C(=Cc2ccc(N3CCOCC3)s2)N(CCO)S(=O)(=O)c2ccccc21 2296619711 QZVHEXJGZVHUSN-UHFFFAOYSA-N 420.512 1.805 30 10 HDEE CCN(CC)C(=O)CSc1nncn1N=Cc1cc2c(cc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c2ccc(C#N)cc2)CC1 7245091 HKJIHDODUYDMFP-UHFFFAOYSA-N 407.492 1.417 30 10 HDEE COCCOc1ccccc1C(=O)NC(=S)Nn1c(C)cc(C)c(C#N)c1=O 14660604 CHGOQMCYWQANTM-UHFFFAOYSA-N 400.460 1.620 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CSc3nnnn3Cc3ccccc3)CC2)o1 31529936 FGGZBYBDDKHLTP-UHFFFAOYSA-N 424.490 1.330 30 10 HDEE COC(=O)c1[nH]c(C)c(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)c1C 102532195 HFIYSYXYQLMIOY-KCGBVJQISA-N 415.446 1.994 30 10 HDEE C=CCn1c(=O)/c(=C\c2ccco2)s/c1=C(\C#N)S(=O)(=O)c1ccc(C)cc1 102803909 YTTBHKCSZVTJEZ-FJXUSZBFSA-N 412.492 1.932 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)CC1 263619908 JWGFDSCQUVXGRL-BQFCYCMXSA-N 414.535 1.328 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cn1 302139525 GERGLFOOEUWXSD-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE CC(C)(C)OC(=O)N(CCc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C1CNC1 390763986 GWJVSPKFWYDYDK-UHFFFAOYSA-N 404.320 1.527 30 10 HDEE Cc1noc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)n1 409551105 BBTQXRUYHOFNJX-UHFFFAOYSA-N 415.397 1.775 30 10 HDEE Cc1n[nH]cc1-c1nnc(NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 444996052 ZYCNWYIMYBVFJQ-OAHLLOKOSA-N 422.474 2.425 30 10 HDEE CC[C@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 464761029 LHLIGDFMEVQXGG-GOSISDBHSA-N 413.522 1.945 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)CC2)c1C#N 472051496 GXZUXLVKDGAALR-WOJBJXKFSA-N 407.522 1.877 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 474052303 FDRJDTFQFINBBF-MSOLQXFVSA-N 406.442 1.798 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)nn1-c1cccc(C#N)c1 505746800 ARUCHRFONBNBHY-SFHVURJKSA-N 407.474 1.763 30 10 HDEE N#Cc1ccc(OC2CCN(CC(=O)c3c(O)nc(=O)n(C4CC4)c3N)CC2)cc1 507803591 ARAYGDHPZZERDK-UHFFFAOYSA-N 409.446 1.464 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 508444282 HAIDZTCNFMPZTL-XLIONFOSSA-N 421.505 1.755 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CCOC)C(=O)C1 508865827 WUANPDUNJUYSLE-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 515663302 SBCNJQNSMCLUAG-UHFFFAOYSA-N 416.462 1.489 30 10 HDEE N#Cc1cccc(CNC(=O)CS(=O)(=O)Cc2noc(Cc3ccccc3)n2)c1 520283122 LZXPAALAIGSQGU-UHFFFAOYSA-N 410.455 1.763 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2nc3ccccc3n2C)cnc2c1c(=O)n(C)c(=O)n2C 532831211 ILEDLFHODOGESB-ZDUSSCGKSA-N 416.441 1.571 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCCN(c2cccnc2)C1=O 542276472 SOHXZVSUOYFVKB-IBGZPJMESA-N 417.473 1.857 30 10 HDEE CNS(=O)(=O)c1cccc(CNC(=O)N(C)CCOCc2ccc(C#N)cc2)c1 561711311 WUNJZZZVKJJAPY-UHFFFAOYSA-N 416.503 1.825 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc(S(C)(=O)=O)cc2C(F)(F)F)CC1 576137109 FVLUDKJKILLPPV-UHFFFAOYSA-N 405.442 1.533 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)c(C(=O)OC(C)C)c2)CC1 576426787 UYQPVVGPCCAKTR-UHFFFAOYSA-N 423.535 1.169 30 10 HDEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2cc3c(cc2Cl)OCCO3)CC1 581524472 IIUWUXSORRJBLA-UHFFFAOYSA-N 420.878 1.889 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)CC1 590126976 DYMLWGOIYHVPNH-UHFFFAOYSA-N 412.309 1.976 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)cc2)c1N 608926315 UJDSYWSWJMMFBZ-OAHLLOKOSA-N 406.421 1.539 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 614902986 RZGYZKYHADIILN-MRXNPFEDSA-N 400.475 1.956 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cc2F)C1 617049625 VVVCGRXBSYLSHU-INIZCTEOSA-N 412.487 1.279 30 10 HDEE COC(=O)[C@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2ncccc2C#N)CC1 619510234 IQFUBOUGKRAPCO-HXUWFJFHSA-N 419.485 1.202 30 10 HDEE CC1(C)OB(c2cc(OCC3CC3)cc(S(=O)(=O)N3CCOCC3)c2)OC1(C)C 725395314 BXDZHPJVFOQBIL-UHFFFAOYSA-N 423.340 1.796 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)OCC(F)(F)F)CC1 727800391 NPHJFCOZGPPNEJ-AWEZNQCLSA-N 411.384 1.765 30 10 HDEE CC(C)CN(C(=O)COC(=O)CSc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 728679341 CSJVVRPUWTXKOD-MRXNPFEDSA-N 424.544 1.865 30 10 HDEE Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732705977 KALQZXUFYHXMST-SFHVURJKSA-N 411.506 1.518 30 10 HDEE C[C@H](NC(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(Cl)cc1 741340863 HIGUURHGKSXCAI-OUIWWDRTSA-N 405.838 1.977 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCN1CCN(C(=O)C2CCCCC2)CC1 742407178 AUBVEBQNWLZRAR-UHFFFAOYSA-N 419.551 1.342 30 10 HDEE COCCOc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 747494529 CIJFVFDTRZKUNE-UHFFFAOYSA-N 401.394 1.986 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 748053034 HWHGQMJUGWFVPG-GFCCVEGCSA-N 404.897 1.109 30 10 HDEE C[C@@H]1N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCC12CCOCC2 756829805 CBRZHEYHZMHARJ-HNNXBMFYSA-N 405.520 1.923 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 757212522 YKROYEPYNRRGAV-OAHLLOKOSA-N 415.498 1.578 30 10 HDEE C#CCNC(=O)c1ccc(NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)nc1 759696887 CCQUSIRHRQVXKP-UHFFFAOYSA-N 415.471 1.145 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 760814648 VFTGPWTWWDYGNE-IRXDYDNUSA-N 419.526 1.091 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN2CCN(CCC(=O)N(C)C)CC2)c1=S 765072860 GCDHZVKVFLHMIJ-UHFFFAOYSA-N 415.567 1.715 30 10 HDEE C#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 765544040 FGPIIXQNUJTYRU-UHFFFAOYSA-N 419.547 1.563 30 10 HDEE CC(C)c1nn(-c2ccc(Br)cc2)cc1C=NNC1=NC(=O)C(=O)N1 765592041 FNSRQGLODSYKAY-UHFFFAOYSA-N 403.240 1.694 30 10 HDEE COC(C)(C)CC=NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 765993738 ZXEOKVSSRXXAIH-UHFFFAOYSA-N 400.457 1.829 30 10 HDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(Cl)cc1 769104674 JCZGKUAIKAGPDU-UKYXWTPTSA-N 416.865 1.645 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCN1C1CC1 773590341 SRUYARGDXPCPKI-INIZCTEOSA-N 421.498 1.247 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OCCCOC)[C@H]1CCS(=O)(=O)C1 774251115 NAFCTKPZKKWYOS-SFHVURJKSA-N 408.520 1.742 30 10 HDEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C)c3=O)ccc21 774528497 DRXIZBLBYSBGLL-UHFFFAOYSA-N 407.495 1.228 30 10 HDEE C[C@@H]1[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 779283292 UJPCEWXBORADCI-RUIRWZRLSA-N 406.483 1.807 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCCC3(O)CC3)nnc12 785645399 DMNOVVXHLBZVIY-UHFFFAOYSA-N 400.460 1.781 30 10 HDEE COc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N(C)C)cc1OC 785719736 PBMMSOUMCVQLES-KRWDZBQOSA-N 404.492 1.938 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3c(OC)cc(OC)cc32)n1 788365620 JTTCKPULWVWVHZ-UHFFFAOYSA-N 412.446 1.169 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(NC(C)=O)c(OC)c(OC)c2)n1 788809913 AQZUDCMHWAVJED-UHFFFAOYSA-N 414.462 1.781 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2CCN(c3ccccn3)CC2)n1 790105053 BPJINGVPSLMRKH-UHFFFAOYSA-N 410.522 1.099 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 798149645 FPVCSVHWZXBYKI-RISCZKNCSA-N 403.298 1.808 30 10 HDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)N(C)CCOc1ccc(Cl)cc1 798740692 AMCJFDHBYWMOAA-CHWSQXEVSA-N 405.842 1.833 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(Cl)cc1 811961783 DHQAIOUXAARHQK-SFHVURJKSA-N 404.898 1.200 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCc2cccnc2C#N)C1 813162631 XWWVTNQRWSEMJO-AWEZNQCLSA-N 404.448 1.702 30 10 HDEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)Nc1nccs1 1084527087 FNMOSBCUQGFLFZ-UHFFFAOYSA-N 424.899 1.984 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)C1 1118924683 SMEIPNGMQOHKFE-LFAOLKIESA-N 411.476 1.856 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1127366874 JJUHECZURSOTOX-HIFRSBDPSA-N 402.451 1.994 30 10 HDEE C=CC1(CC(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 1137881913 GXXUBEMEMDCMAI-MRXNPFEDSA-N 409.527 1.895 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1140626751 JJVGYIYUXXRTBN-OAHLLOKOSA-N 403.483 1.853 30 10 HDEE Cc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 1152832074 OLKNLRIQHZYFRZ-UHFFFAOYSA-N 407.473 1.187 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1153262530 OCKLZMMQVAFAIB-UHFFFAOYSA-N 406.504 1.006 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1 1167345629 KMXMRCATAYMAPK-INIZCTEOSA-N 403.504 1.849 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)N1CCO[C@@](C)(C#N)C1 1179393617 CPVZFOYSGVOOKX-GJCGCQLZSA-N 423.560 1.839 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1251366867 JLVDQTHPNZZODA-AEFFLSMTSA-N 409.577 1.843 30 10 HDEE C[C@@]1(C[C@@H]2CCCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)NC(=O)NC1=O 1253867729 PUDCOVZJNHBKSC-JTSKRJEESA-N 424.505 1.689 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1286363941 VLADJYBZFDXYQA-WIYYLYMNSA-N 405.543 1.356 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1286402199 CJFDLOHMQYXWMB-UHFFFAOYSA-N 415.501 1.054 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC2(C)CC2)CC1 1286493103 DTDXLYAVPQXUKY-UHFFFAOYSA-N 412.538 1.557 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1286512467 VGFQIVBEZINSJH-GOSISDBHSA-N 408.487 1.824 30 10 HDEE C=CCCCCn1c(CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286687928 NTZZCFVOCNEWKJ-QGZVFWFLSA-N 411.572 1.828 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C)C(=O)C1 1286697757 FFRRFLKLPQFDJA-UHFFFAOYSA-N 417.539 1.483 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286705730 DOUFBHCRFNLRAZ-INIZCTEOSA-N 404.515 1.199 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)[C@@H]1CC 1286778964 CESWQNKLNUJPBT-HNNXBMFYSA-N 402.886 1.616 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@H]1C 1286795111 FNAVNLZJSMFMEL-NVXWUHKLSA-N 424.505 1.509 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286833358 AATVGAHQUWYQJO-INIZCTEOSA-N 407.565 1.806 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccccc1 1288099455 BWLUGUPUNPXGGB-UXHICEINSA-N 400.458 1.766 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCO[C@H]1CCOC1 1293111400 SGOGNNWUKTUESG-SFHVURJKSA-N 411.510 1.629 30 10 HDEE CC(C)[C@H](NC=O)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1293136663 IIFBKGZWFQKSCB-IRXDYDNUSA-N 407.312 1.929 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS1(=O)=O 1293731237 SVBXRPOQDARZOI-ILXRZTDVSA-N 401.529 1.998 30 10 HDEE CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1295209240 OAYBAKLRXBIPLO-KBPBESRZSA-N 405.480 1.308 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1299909488 BJROCOQXISYJIF-OAHLLOKOSA-N 421.885 1.735 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CC(OCC)C1 1300303437 IWBDNQHRIOWGAY-WCGZIJFHSA-N 401.467 1.394 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1Cc1nnc2n1CCC2 1300548093 GJYLPEVMNZIBMX-UHFFFAOYSA-N 405.437 1.655 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@@H]2C1 1300733417 VNVPVMGKIRNCQK-MRXNPFEDSA-N 418.567 1.374 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1300855558 GPPPRDCWVADURL-BMGDILEWSA-N 412.494 1.568 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1301239090 KZKOXJPTHQVUHY-AWEZNQCLSA-N 401.533 1.096 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1301424612 MYRYTBWGXOEPDN-KRWDZBQOSA-N 405.524 1.457 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301435690 LUTZMQFAGDKILV-UHFFFAOYSA-N 410.522 1.884 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1301459128 QMQGKNKJRBZPRP-KUHUBIRLSA-N 406.483 1.603 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CC1 1302231766 IYMPPAMVZJXHCO-GJZGRUSLSA-N 418.498 1.604 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)CCO1 1303005004 VTVXURWANLCMIH-STQMWFEESA-N 419.536 1.597 30 10 HDEE Cc1noc(C)c1[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1304876412 FVCGHAONGKIRAN-XJKSGUPXSA-N 413.482 1.538 30 10 HDEE CC(C)(C)OC(=O)CS(=O)(=O)CCNC1(c2cccc(C#N)c2)CCOCC1 1307942144 SVUBOTOAYRFBNP-UHFFFAOYSA-N 408.520 1.910 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1312626114 LOYDSOFMAOCIJQ-HUUCEWRRSA-N 420.395 1.995 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2c(I)cnn2C)CC1 1313195833 KASJVXYPMBWRAU-UHFFFAOYSA-N 404.252 1.637 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N3CCC(C(N)=O)CC3)cc2)nc1 1318720934 RTWJAAMUTFMHAL-UHFFFAOYSA-N 408.414 1.626 30 10 HDEE COCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1cccc(C)c1 1321529998 BSARNSQEXCZFKK-UHFFFAOYSA-O 422.552 1.913 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cnn(Cc3ccccc3)c2)C(C)C)C1=O 1357680448 OSAASJWRQGAQKW-UHFFFAOYSA-N 423.473 1.645 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1358952590 QUHCZXFCQDWJFZ-MGPUTAFESA-N 415.519 1.677 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1nnnn1CC1CC1 1358953695 GIHXUWVSWPRDDA-UHFFFAOYSA-N 408.466 1.380 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359053593 RTCYUPZIKIUPCE-CQSZACIVSA-N 400.483 1.664 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1359137104 FPLOQOGHIGUACS-BZSNNMDCSA-N 421.542 1.557 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCn2nc(C)nc2C1 1359189121 BKFUWTALKPCERB-HNNXBMFYSA-N 419.555 1.703 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1359240065 FIKQBNNUTGWJPL-OAHLLOKOSA-N 411.553 1.537 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCOCC1(C)C 1359281683 GZAZAHSSIPOHBT-SFHVURJKSA-N 407.559 1.922 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1359298730 KEICXMFYDOPQDQ-UHFFFAOYSA-N 400.527 1.687 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1359324969 VMTVLOHPCOOXQJ-LJQANCHMSA-N 424.505 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nc(C)cs2)CC1 1359332214 RXNPMKLQQIFJQH-UHFFFAOYSA-N 422.580 1.848 30 10 HDEE C#CCN1CCC(C(=O)N(c2nc(CC(=O)OC)cs2)N2CCCCC2)CC1 1436873881 XDTHSENYXBKUNM-UHFFFAOYSA-N 404.536 1.938 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2C2CCOCC2)cc1 1439622994 HPFIRWJNCRYWTK-GOSISDBHSA-N 405.520 1.747 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1442309395 CAIZBSGDNDEVKD-IKGGRYGDSA-N 409.527 1.683 30 10 HDEE C=CCOC[C@@H](NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)C(=O)OC 1448495621 NVUHZAKQVRETET-CQSZACIVSA-N 410.471 1.560 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C 1452946579 GJBJPWCETGEADX-CKEIUWERSA-N 421.519 1.946 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 1452947588 LRRCBYBFTQGCLH-IAGOWNOFSA-N 419.528 1.965 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cnn4c3CCCC4)C2=O)cc1 1456260815 HIAGWDCUKLOVLO-KRWDZBQOSA-N 406.446 1.612 30 10 HDEE C#CC1(O)CN(C(=O)c2nnn([C@H]3CCN(C(=O)OC(C)(C)C)C3)c2C(F)F)C1 1456808538 HJHYKTWOPZBHGH-NSHDSACASA-N 411.409 1.218 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1 1462698428 LGQRVGLLKRLCPO-HXUWFJFHSA-N 417.469 1.132 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 1465029420 KLJMYTCZGIPYSU-GOSISDBHSA-N 405.458 1.531 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)CC1 1465278473 LSKIKHSVLSMZLD-UHFFFAOYSA-N 409.577 1.950 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1470680897 XPIGMOCYXYDUOG-UHFFFAOYSA-N 415.468 1.207 30 10 HDEE C[C@@]1(c2ccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cc2)NC(=O)NC1=O 1471226255 GUCDZZFKMSDOCG-QFIPXVFZSA-N 421.432 1.714 30 10 HDEE Cc1nc(SCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C#N)c(C)c1C 1472370035 ARSCGXUSBGTQAN-UHFFFAOYSA-N 410.459 1.188 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)C1 1475132774 YKNBULLPQVAKLE-AWEZNQCLSA-N 406.501 1.943 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507580881 MXMIXXXEMMGIMT-UHFFFAOYSA-N 415.929 1.617 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCCOC)[C@H]1CCS(=O)(=O)C1 1507622250 HNGZNBLBLRUSTE-INIZCTEOSA-N 412.556 1.255 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1507686524 AVLGCXOLOZHBOB-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H](COC)OC)CC1 1507739475 ICCKNCDUQOBLOM-LJQANCHMSA-N 417.554 1.638 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(OC)CCOC1 1507811984 HKHHXITWOOVBPL-RHSMWYFYSA-N 401.533 1.096 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507913910 BBDHNFGFZGQCEI-MSOLQXFVSA-N 416.570 1.990 30 10 HDEE C=CCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508068543 ZWQPNYFYDLMIOD-OAQYLSRUSA-N 413.526 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)NCCC)C1 1508130214 TUCPLCPAPWZJKJ-SFHVURJKSA-N 423.521 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCC2)C1 1508147901 NBTOKJFVCHKZJC-QZTJIDSGSA-N 423.583 1.795 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1508160721 HZEKZKLEPUBMIR-CRAIPNDOSA-N 412.581 1.716 30 10 HDEE CCN(CC)C1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1515549308 IIDPHWALOWOLEQ-HNENSFHCSA-N 401.515 1.424 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)OCc2cc(Br)cc(C#N)c2)C1=O 1524684074 YTWODHKHUYQYAF-AWEZNQCLSA-N 409.236 1.776 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1527082183 LGNCOXVBCSCIJK-RISCZKNCSA-N 417.516 1.598 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1527403332 RGZQKZQLBKDLGZ-IBGZPJMESA-N 423.535 1.679 30 10 HDEE Cn1c(C#N)ccc1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1532111512 LIGKBDOXVHDOPW-UHFFFAOYSA-N 401.275 1.912 30 10 HDEE COC(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cnc1C 1538250566 HPUMXQHMQFEQOZ-UHFFFAOYSA-N 402.432 1.621 30 10 HDEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@H]1CS(=O)(=O)C2 1539118467 NGUSLVXTMHEBRQ-LKFCYVNXSA-N 414.237 1.368 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539218938 ALVYBBXJLKURDY-RYQLBKOJSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(OC)OC)c1 1539259303 CFTUWAVKZVAXKX-SFHVURJKSA-N 407.474 1.642 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](COC)OC 1539315694 SRBAGYZWHOBANT-INIZCTEOSA-N 420.473 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OC 1539315842 WFZTTYSTGVRMNU-UHFFFAOYSA-N 418.457 1.921 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCNC(=O)c2cc[nH]n2)CC1 1539441352 MIEPDMZEDGIKGS-UHFFFAOYSA-N 418.505 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Nc2cccnn2)CC1 1540901690 MGAWHAYNMBNBMT-UHFFFAOYSA-N 417.539 1.627 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1541089212 VQYAJSVNHWPKCU-UHFFFAOYSA-N 405.466 1.263 30 10 HDEE CC(C)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1541708772 JYQNAHDIEFAJEI-ZZEZOPTASA-N 413.526 1.649 30 10 HDEE Cn1nncc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCCO)CC1 1554367099 HRTARCLIFYEHPI-UHFFFAOYSA-N 406.494 1.982 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1554481093 DXTHKKNMHKVAIE-KRWDZBQOSA-N 409.494 1.257 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1555558776 DMQSCWZPSRFGSG-UZLBHIALSA-N 402.499 1.507 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1n[nH]c(C)n1 1555628171 FTZGUMSZZGXSOH-AWEZNQCLSA-N 402.503 1.801 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CC[C@@H]2CCOC2)cc1 1555991619 RUBAHUCPRRHLFV-IAGOWNOFSA-N 410.478 1.467 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2cc(C(C)(C)C)n3ncnc3n2)C1 1556131971 AYVLICAFOQCZHJ-GXTWGEPZSA-N 413.482 1.911 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(C)n(-c4cnn(C)c4)c3C)CC2)c1C#N 1556216620 AHLZRUUDGIRFIZ-UHFFFAOYSA-N 406.494 1.704 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1556382089 UDURQUNUHOHDHS-FOIQADDNSA-N 407.467 1.836 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1558675831 HFWWSSYZSJKUMK-NSPYISDASA-N 406.508 1.847 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OCC 1561574031 LIOJPJBZZLOBEK-CQSZACIVSA-N 403.522 1.883 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OCC)ccc2OCC)CC1 1562101499 JVRLQDKCVPEPOL-UHFFFAOYSA-N 410.496 1.101 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1587851282 GXAZYCMFVCLFKR-GOSISDBHSA-N 400.527 1.191 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC=C 1588094189 UEMIYVHLBJKQER-UHFFFAOYSA-N 415.295 1.421 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1588224337 WQTWBENZWDPRNQ-GOSISDBHSA-N 410.522 1.531 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)C(=O)C1 1589404544 KPUGSRJRJWOUJE-ZDUSSCGKSA-N 410.316 1.892 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1594096357 AWZXRTZXXRWOSB-HNNXBMFYSA-N 422.511 1.046 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1)C1CC1 1595058445 MKDBKFUOHNYKKC-SJORKVTESA-N 423.539 1.111 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCN(C)C1 1595228785 IQVLWORSOWDRBS-HXUWFJFHSA-N 416.551 1.515 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(C1)OCc1ccccc12 1595466686 LLVKVEZQTUEYNE-QFIPXVFZSA-N 424.505 1.354 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)SC)C1 1595723209 SURNUXISHPRFNP-RBSFLKMASA-N 400.570 1.713 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1616185339 IBDXXFZGHXRJRF-DYESRHJHSA-N 418.542 1.391 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCn4cc(C(F)(F)F)nc43)C[C@H]1CS(=O)(=O)C2 1616335436 BMYQKOUCRONHDL-ZIBATOQPSA-N 402.398 1.176 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1625827932 ZSWYHEZZTMNGRR-UHFFFAOYSA-N 400.888 1.134 30 10 HDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCCCNC1=O 1627462811 TYWSQZCMVDIGQY-INIZCTEOSA-N 405.296 1.884 30 10 HDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1629557765 WEQASXHPDZZMSS-UHFFFAOYSA-N 413.540 1.436 30 10 HDEE CC(C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@]1(O)CCOC1 1630826417 HUAMXWDWTLHRLU-IERDGZPVSA-N 414.462 1.057 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](OCc3ccccn3)C2)c1 1631263584 JZCOZOOGPHWRJL-OAHLLOKOSA-N 403.435 1.949 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)c1cccc(C#CCO)c1 1633352580 KCKLWJKPULVULU-UHFFFAOYSA-N 414.483 1.526 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]1COc1ccc(F)cc1 1636211821 BNHCLMLUBGNKDI-HNNXBMFYSA-N 417.462 1.934 30 10 HDEE Cc1c(C(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cnn1CCC#N 1637266046 GCCQVRLUERCIKH-KRWDZBQOSA-N 416.526 1.872 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1cccc(Cl)c1 1637311286 FPVODLVNUWRMAJ-CQSZACIVSA-N 407.879 1.098 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)CCC2)cc1 1639189698 LQHVXRNFQCMRDY-WBVHZDCISA-N 401.488 1.089 30 10 HDEE CC(C)(C)OC(=O)[C@@](C)(NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccccc1 1642347817 BAFGBABXMWTXIF-NRFANRHFSA-N 412.446 1.584 30 10 HDEE CN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)[C@@H]1CCC[C@H]1C#N 1642535828 BOYSSCHJWPJIEA-GOEBONIOSA-N 407.492 1.667 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 1642606587 ITWDWHGOHAZEBQ-JTSKRJEESA-N 403.442 1.606 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 1644492062 JCSZFMYYZHYPGO-DYESRHJHSA-N 400.479 1.796 30 10 HDEE C=CCCSCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1644664781 YUNJQHZAGQSUHI-HNNXBMFYSA-N 400.570 1.853 30 10 HDEE Cc1nnc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)n1C 1647978084 WINQFYOAKRMRLE-UHFFFAOYSA-N 420.439 1.432 30 10 HDEE CC(C)C(=O)N(C)Cc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1648028709 LEMRBLPXYRFLKV-UHFFFAOYSA-N 409.446 1.132 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OCC 1651052681 UDWNGYALYYPOHI-CQSZACIVSA-N 422.425 1.998 30 10 HDEE CC(C)C[C@H](C)N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652136001 FFPIJBXRHGWXGL-AWEZNQCLSA-N 406.483 1.116 30 10 HDEE CN1C[C@]2(C)CN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)C[C@@]2(C)C1 1654415335 STCZFCDPDZKJSH-IOMROCGXSA-N 401.580 1.731 30 10 HDEE N#Cc1cccc([C@@H](NCC(=O)NCc2ccc(OCC(N)=O)cc2)C(F)(F)F)c1 1659908594 PGMYWSCGAROMMY-LJQANCHMSA-N 420.391 1.932 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)c1 1660289512 IYQXYZICRRURNZ-GUDVDZBRSA-N 401.463 1.211 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F 1662964948 LISBXUBEHHMCLN-RUZDIDTESA-N 404.485 1.804 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(F)cc2OC)nn1 1663990900 QEOXHZLSNZKUKZ-UHFFFAOYSA-N 405.249 1.853 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2c(C)nn3cc(Br)cnc23)CC1 1665160170 ULQWLRIYOOLAKX-UHFFFAOYSA-N 413.297 1.339 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1665745362 UUQHWZBPYNTOJG-SNVBAGLBSA-N 412.327 1.458 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)C2=O)cc1 1681302356 XGESYACRWLWCTD-SLFFLAALSA-N 411.506 1.294 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1Oc1ccccc1 1681555366 AXIOROYPBRYRQM-OMNJKAEPSA-N 419.503 1.191 30 10 HDEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1686039049 UDAPYUPTNFPWCW-GFEQUFNTSA-N 403.523 1.618 30 10 HDEE C#CCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1686929600 NCXULZFYWVGBGK-HXUWFJFHSA-N 414.531 1.355 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1689937006 LOBOHMNFTYYERG-RBUKOAKNSA-N 414.554 1.361 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC 1690063573 IEATXWNUTPAALC-UHFFFAOYSA-N 405.524 1.691 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC2(O)CCC2)n1 1690109037 DMPBFPJCFFUQMQ-KRWDZBQOSA-N 414.510 1.180 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnn(C)c2C)CC1 1690115019 OQFGTPYWESWYDN-UHFFFAOYSA-N 420.477 1.699 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1690166156 WNDWCONXUJCZPC-INIZCTEOSA-N 411.487 1.811 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 1690470500 CZFGASDXXSEQTD-HZPDHXFCSA-N 420.539 1.907 30 10 HDEE CCCN(CC)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1695304107 ANWQFRLUXIKBGU-VHEBQXMUSA-N 415.498 1.163 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1695424601 FMEGEEAMPXQADP-HNNXBMFYSA-N 409.494 1.400 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697041871 CIQXEGNFDAWNGV-ZGTROFRASA-N 416.482 1.101 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)[C@@H](C)CC)CC1 1705635146 SAFBBOWZFVAATI-IPJJNNNSSA-N 419.570 1.747 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@]2(O)CCOC2)CC1 1705764621 GGZHXPYJDYPGFE-HXUWFJFHSA-N 418.519 1.656 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(OC)CCOC2)CC1 1705781909 KEVYYHJNBHTPHK-APWZRJJASA-N 410.540 1.388 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C)C1CC1 1705849934 ZZXUFWBOZAZGEQ-CYBMUJFWSA-N 422.559 1.438 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1705876259 SOTICMGHJKOBGD-LYGPFTKASA-N 410.540 1.289 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCn1cccn1 1705898621 RLSUQIXYZRTGCE-UHFFFAOYSA-N 400.874 1.629 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1722312574 FHVBIUUMMRFODK-UHFFFAOYSA-N 404.540 1.605 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(N(C)C)CCOCC1 1722349073 FEONCCMDDQDMPB-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC 1722379434 PWKHVEDWKIGQCS-UHFFFAOYSA-N 400.508 1.348 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cc(C)nn1C 1722380218 IHNQJGUGPPQYRF-UHFFFAOYSA-N 412.457 1.757 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1722406607 SOBHWCHCODZVCK-MRXNPFEDSA-N 416.478 1.846 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)CC)CC1 1722446891 AVPVVYRIORRVBG-UWJYYQICSA-N 403.527 1.647 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](COC)C1 1722451239 HLISFKBEPWAKGX-GJZGRUSLSA-N 415.585 1.118 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCOC1 1722673871 HIPFQIGGPPVVKT-MRXNPFEDSA-N 400.483 1.991 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722696942 VDCCJEJUGIQMTM-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H](C)C#N 1722730238 MHSATSMPDWNOEK-CQSZACIVSA-N 405.528 1.336 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722738200 CPXOOCSWAWDPOD-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(O)c1 1723932250 AWVHWSSAKXVKRB-YVEFUNNKSA-N 408.459 1.084 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1728635690 ZYKWSDRTNJZTBI-IPMKNSEASA-N 417.558 1.132 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728947529 QDELRIMRSVGMSK-KIJUOZEOSA-N 402.499 1.933 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCCO)c1 1730994806 PGUWAVMENSGACH-IBGZPJMESA-N 421.498 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCN(C)S(=O)(=O)CC 1740634356 BCGRHBBKHDLZCH-UHFFFAOYSA-N 400.508 1.085 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc(C)s1 1740647330 SALXGUOEUWRCBA-FQEVSTJZSA-N 414.535 1.796 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740714226 XNEFTMMKVRKTEK-QGZVFWFLSA-N 415.519 1.271 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740716833 AZBZVSSJLAZBHP-UHFFFAOYSA-N 413.613 1.703 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1740796372 AHJBQCVDZBQMCE-UHFFFAOYSA-N 420.539 1.115 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1740954085 BIFRDKVKNZHPMG-OAHLLOKOSA-N 416.482 1.864 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740959489 XHCYBHXNCPILPB-KRWDZBQOSA-N 413.526 1.108 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)N1CCOCC1 1741357170 SAKXAWUGRQLGSX-OAHLLOKOSA-N 411.510 1.657 30 10 HDEE C[C@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC(C#N)CC1)N(C)C 1741843975 DDIOVLPBPUXONT-OAHLLOKOSA-N 420.521 1.882 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cc(Cl)cn1 1744698372 SFTGMWCRMDIELO-UHFFFAOYSA-N 411.901 1.984 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1748640696 WYHFJIPJNRTEPR-HZPDHXFCSA-N 418.567 1.456 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NC(C)C)c1 1748695089 WKNYAJWQPSDQHQ-UHFFFAOYSA-N 408.506 1.811 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1748706145 AYXDRLPXZNDGQX-APWZRJJASA-N 406.494 1.931 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764806 WLLDRRJUUYGQRU-UWJYYQICSA-N 403.527 1.824 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748788008 LHJIGBYPCGWXOF-KSZLIROESA-N 421.567 1.793 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1748921197 YCZBCPMFBYPQQL-UHFFFAOYSA-N 413.507 1.028 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1749430837 XKGSKDUVJRWZQA-HNNXBMFYSA-N 410.544 1.056 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(C)s1 1749590031 MRRFIZLKOGWVMM-UHFFFAOYSA-N 414.495 1.772 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749634187 LAKYYNIKMKLJNH-UHFFFAOYSA-N 414.485 1.768 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(C)(C)C)C1 1749649997 GKBWSVACKZQEOS-HNNXBMFYSA-N 404.515 1.068 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCOCCS(C)(=O)=O 1760115465 GWLJHMUQUURZLX-KRWDZBQOSA-N 404.536 1.696 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1760117917 VUVMODAUJNACOB-GDBMZVCRSA-N 418.519 1.704 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCCC 1760166142 RZQMFMBUHWFBFQ-UHFFFAOYSA-N 401.467 1.567 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760176062 YLZOWWPDUZGXQS-XPQZIERPSA-N 403.527 1.121 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(N)=O)c1 1760218605 JVCISITVWKPICV-SFHVURJKSA-N 407.474 1.157 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CC)C1 1760281097 XMACUBLKJYMRCB-AWEZNQCLSA-N 403.508 1.987 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2cscn2)CC1 1760282087 VXHAGBPHPHZRHU-INIZCTEOSA-N 418.592 1.927 30 10 HDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1 1760350992 YYFCPYCEKLTPQD-LBPRGKRZSA-N 423.315 1.940 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1760456111 HJWQZRCYLXYHBN-ZDUSSCGKSA-N 403.512 1.630 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2)C1 1760523942 LKTMIBNNFGNVSH-MSOLQXFVSA-N 402.543 1.539 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1761359886 BUCFLATTWHKQHJ-JKSUJKDBSA-N 406.498 1.876 30 10 HDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N(C)C1CC1 1761409709 DLWITEXPYCXZQH-NVXWUHKLSA-N 420.583 1.793 30 10 HDEE CCN(CC(C)C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1764840072 MWTFVIWBXYSYSN-VLGSPTGOSA-N 417.514 1.425 30 10 HDEE CN(CC(=O)ON1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(Cl)s1 1772783096 DEJMWPDRQYJEFZ-UHFFFAOYSA-N 414.848 1.776 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)cc1 1772790472 CXAXORFPGSYHCQ-INIZCTEOSA-N 418.365 1.518 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCCCC2=NS(=O)(=O)C(F)(F)F)c(=O)n1 1852106718 POXOPMCABNRHLK-UHFFFAOYSA-N 408.402 1.511 30 10 HDEE CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)CCON=C(N)c2cccs2)CC1 1853525639 GPGGPMSKPQSDAH-MRXNPFEDSA-N 421.567 1.319 30 10 HDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)C2CN(S(C)(=O)=O)C2)c2ccccc21 1853641473 DXAPATBNMNMACM-AWEZNQCLSA-N 404.492 1.340 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@H]4CC=CCC4)C3=O)CC2)CC1 1853743568 OUWHBXZBSXLNSC-AZUAARDMSA-N 412.534 1.944 30 10 HDEE Cc1cc2c(c(N(C)C)n1)N([C@H]1CCN(C(=O)c3ccnc(C#N)c3)C1=O)CCC2 1853781755 MZBXPXZBYXFKQF-SFHVURJKSA-N 404.474 1.917 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(COC)cn2C)C1=O 1854189375 HKUBSYDOIRYALA-QZTJIDSGSA-N 416.522 1.412 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1854310524 BGPCHHBJUMUUCT-IEBWSBKVSA-N 419.547 1.865 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CC(n4nccn4)C3)CCC2=O)c1 1854959678 WFSZRDZGGZPVMT-HNNXBMFYSA-N 412.881 1.933 30 10 HDEE CN1C[C@H](C(=O)N2CCC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)CC1=O 1855081930 VSEYQCFARVOCKM-MSOLQXFVSA-N 409.490 1.129 30 10 HDEE Cc1ccc(N2CCN([C@H]3CCN(C(=O)c4ccc(C)c(C#N)c4)C3=O)CC2)nn1 1855396897 MQZHDDFFEYJQKP-IBGZPJMESA-N 404.474 1.528 30 10 HDEE Cc1cc2ncc3c(n2n1)CCN([C@H]1CCN(C(=O)c2cccc(C#N)c2)C1=O)C3 1855473367 JDCQUSUXLUPIEN-IBGZPJMESA-N 400.442 1.709 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C(=O)C12CCCCC2 1856288102 OWYXBTPCJYHXNG-MRXNPFEDSA-N 409.490 1.912 30 10 HDEE COc1ccc(C(=O)CN2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2(C)C)cc1 1856397355 ZOXJPZNPUXAHCM-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3csc(-c4cnccn4)n3)C(=O)C2)C1 1856861188 CQWPSLGPVYHGPB-OAHLLOKOSA-N 412.519 1.535 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn(C(F)F)c2)C1)[C@@H]1CCN(C)C1=O 1857050552 LTHMWQIYQFZFMC-UKRRQHHQSA-N 409.437 1.376 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(Cl)cc2)C1=O 1857145953 IWBZOCJYSQMHBK-KRWDZBQOSA-N 410.865 1.563 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2cccc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857236539 HXECCHAZFZZMJU-APWZRJJASA-N 415.490 1.168 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)c(OC)c2)C1)[C@H]1CCN(C)C1=O 1857268750 DDCUESMZZNZRBD-RDJZCZTQSA-N 415.490 1.411 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857298431 BMXMVPVRWYPHOX-BEFAXECRSA-N 407.474 1.337 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)cc1 1857432518 HGZZCZNDXYHZNR-MSOLQXFVSA-N 409.421 1.772 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861186417 IOROHAHLWSZWEY-SJLPKXTDSA-N 404.486 1.090 30 10 HDEE CCc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870106848 JHRMPLARRVHYKS-UHFFFAOYSA-N 414.425 1.995 30 10 HDEE C=CCOc1cn(CCOCCO)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1870812085 NJEDNAONKRTJOB-UHFFFAOYSA-N 419.434 1.951 30 10 HDEE NC(=O)CSc1nnc(CCc2cccs2)n1/N=C/c1ccc(O)c(O)c1 1874370609 IVXJRUFWRMPXLX-DJKKODMXSA-N 403.489 1.996 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccn1C 1874433945 FOEDJBXICLZCHI-SRZZPIQSSA-N 417.539 1.676 30 10 HDEE CN(CC1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1)c1ncccc1C#N 1891073637 MDLAHBUQIBGYBV-QGZVFWFLSA-N 409.494 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@@H](O)C1 1962848525 JOWLCEDYGHSNKJ-HNNXBMFYSA-N 401.529 1.704 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985097075 AFFGOGJBJXRJKB-JLNYLFASSA-N 410.320 1.811 30 10 HDEE CC1(C)OB(c2cncnc2N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)OC1(C)C 2052551690 IQQRCYYPMNUDFY-UXHICEINSA-N 422.338 1.865 30 10 HDEE C#CCC[C@@H](NC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811248 XZKSLGNGNKOIRK-CBGDNZLLSA-N 402.447 1.785 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2124703547 KXAIJDCZAARURW-LBPRGKRZSA-N 403.526 1.524 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(Cl)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 2162863737 VYXVYXDGXSHFLM-OLZOCXBDSA-N 412.899 1.829 30 10 HDEE C#CCN(C[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2169177301 UKMABUONKRBKPL-ULQDDVLXSA-N 400.541 1.117 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CC(F)(F)F)S(=O)(=O)N1CC[C@@H](C#N)C1 2174782572 RRQPAZGFBPHRDM-LBPRGKRZSA-N 414.450 1.856 30 10 HDEE CC(C)(C)OC(=O)NCCC1CC(NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783904 IDSCNTGLBOYEJI-UHFFFAOYSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)Cc2ccc(C#N)cc2)s[nH]1 2187514096 ZZPVCBGEUJEAPA-UHFFFAOYSA-N 409.493 1.798 30 10 HDEE CC1(C)OB(c2ccsc2CNC(=O)N[C@H]2CCS(=O)(=O)C2)OC1(C)C 2197935331 OSOLGKGEMKMCRL-NSHDSACASA-N 400.331 1.034 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)nc1Br 2214363241 ONQDMLBDKPHHOU-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE CN[C@@H](C#CP(C)(C)=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2225387788 DLNJRCRMRDAGGX-UONOGXRCSA-N 406.485 1.971 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2255807623 XCIWLDNJYARPTM-SBUREZEXSA-N 422.338 1.724 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](N)C3CC3)cc2Cl)OC1(C)C 2267355958 JLIKEIJIOSDOLF-NSHDSACASA-N 406.766 1.716 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C[S@](C)=O 2267357246 VWIJQWAOIONBLR-JUZXBQNTSA-N 407.388 1.401 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCS(=O)CC1 2267704152 JCEQLYMOCBZEHC-UHFFFAOYSA-N 405.372 1.109 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@@H]4C[C@@H]3CN4)cc2Cl)OC1(C)C 2267709170 XIUSOKWEICVUMC-QRTLGDNMSA-N 404.750 1.339 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@H](C#N)CC1)NC(=O)OCc1ccccc1 2270541133 XLRNYMPJWGBIOJ-DOTOQJQBSA-N 423.491 1.410 30 10 HDEE CCC1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CNC1 2282315431 NUBHJRRIYXBXMM-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE C[C@H]1C[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282336331 BMAVIXOCXBRETI-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)OC1(C)C 2282495817 ROYNDXJOSPWFKT-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCCC23OCCO3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548054 VVJIUZJQKCFVOC-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282607561 LEDRQZXQFGWUNF-DZGCQCFKSA-N 405.304 1.333 30 10 HDEE COC[C@@H]1C[C@H]1CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282829818 KQSVEWBWAWDEFJ-STQMWFEESA-N 401.359 1.917 30 10 HDEE CO[C@@H]1C[C@H]1CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843314 LKLIGEADWGVGSG-WCQYABFASA-N 402.347 1.239 30 10 HDEE CC1(C)OB(C=CCNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)OC1(C)C 2284065762 LLYZMJWHWQYOGF-UHFFFAOYSA-N 401.315 1.556 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC(C(=O)O)C2)OC1(C)C 2284417945 RYBNNSGSAYQZEO-UHFFFAOYSA-N 401.677 1.344 30 10 HDEE COc1ccc(C=CC(=O)N[C@@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 2297487198 OXJSBIKBKNTFOZ-BTYIYWSLSA-N 401.463 1.811 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2300280236 GSMPQUGRKHKLAN-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE Cn1cccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)(C)C)C1 2327842620 UBFSEAMIHGEYCM-LBPRGKRZSA-N 403.512 1.191 30 10 HDEE CC(C)(C#C[C@]1(OCC(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2339703634 RNVXOMNPWABHBO-OXJNMPFZSA-N 423.487 1.742 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)OC1 2362317492 SCMTYAUTHKQIHR-GJZGRUSLSA-N 401.529 1.870 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCCN1C(=O)OC(C)(C)C 2367790916 ICHZIKVNCMXDSR-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H](CC)NC(=O)OC(C)(C)C 2367807763 WTDCFXXEXLECMU-OAGGEKHMSA-N 402.557 1.599 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)/N=C(\O)Nc1nc(C)cc(OC(F)F)n1 31459787 JHGOBHSWGULGTR-UHFFFAOYSA-N 416.362 1.888 30 10 HDEE COc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])cc(OC)c2O)cc1OC 169905885 OICGVWXQWUFIDC-RQZCQDPDSA-N 411.392 1.639 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)c1 438127192 CHGPMANOFVWUTP-MOPGFXCFSA-N 410.522 1.966 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(C#N)c(O)c4)CC3)C2=O)n(C)n1 443117745 LPLNISAJLNEZBF-GOSISDBHSA-N 422.489 1.259 30 10 HDEE C[C@@H]1CCCN1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 472584584 VIWLJAMKTPKLCD-CYBMUJFWSA-N 406.487 1.717 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 476192721 IWASTUKNYIPIBE-UHFFFAOYSA-N 416.459 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2c[nH]c3cc(Br)ccc23)CC1 479920256 AOVQCNKCMUQJRU-UHFFFAOYSA-N 419.323 1.919 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c(F)c1 480701736 GRXQINMAWVANKS-UHFFFAOYSA-N 401.485 1.073 30 10 HDEE Cc1noc(C2CCC(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n1 482832142 ZXWRVWOTFBMPHK-JQRITLKVSA-N 417.491 1.759 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)ccc1F 488882915 FAKHKKKXLPILBU-UHFFFAOYSA-N 402.451 1.642 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 508798991 ZEEIZYRCODGIOL-HUUCEWRRSA-N 413.544 1.048 30 10 HDEE N#CCCN(Cc1ccco1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 522863196 OZAJVFLTEDJVJP-FQEVSTJZSA-N 406.442 1.998 30 10 HDEE CC(C)N(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C[C@H](C)O 533281098 KCBVWBYMCYNNGG-HNNXBMFYSA-N 401.467 1.546 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NC2(C#N)CCSCC2)C1 535192685 WOPYXHUTTUZNMC-AWEZNQCLSA-N 412.537 1.598 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc(OC)c(OC)c3)CCC2)CC1 544464239 JZWQKCCXYWWTSU-UHFFFAOYSA-N 401.507 1.572 30 10 HDEE COc1ccccc1N=c1nc(N)nc(CN2CCN(c3cccc(C#N)n3)CC2)[nH]1 546211320 CYOBGTQYAMCXNT-UHFFFAOYSA-N 417.477 1.217 30 10 HDEE C=CCCCNC(=O)C(=O)NCCC(=O)N(C)Cc1ccccc1Br 554153948 COJURYFTCGAHNE-UHFFFAOYSA-N 410.312 1.996 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 581517052 MERSZJMXVIDXHK-ZIAGYGMSSA-N 403.574 1.375 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 583112577 WHDZFHUDPZXDMR-MAUKXSAKSA-N 417.535 1.921 30 10 HDEE C=CCN(CC=C)C(=O)N1CCC[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)C1 585967827 UGUMAGLLRFUFKB-INIZCTEOSA-N 410.474 1.657 30 10 HDEE COC(=O)[C@H](c1cccc(C#N)c1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615455031 KXPRNRKZTYYUJL-IBGZPJMESA-N 414.487 1.242 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(-c2ccc(F)cc2)c1=O 642093492 VBSDWTQRZJBSPU-UHFFFAOYSA-N 410.474 1.890 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 726574749 MCCHDJLUMNNJCG-OAHLLOKOSA-N 406.511 1.810 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccoc2)c1=O 727416615 JRRSZTGXHOFICU-UHFFFAOYSA-N 403.504 1.205 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)c(F)c1 729885216 XIRZEXXQMHVXSZ-UHFFFAOYSA-N 411.361 1.949 30 10 HDEE C#CCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 731213389 AVXJCJCYPSLWKW-AWEZNQCLSA-N 406.401 1.583 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 733044437 DNYNMDKPEUDPOO-UHFFFAOYSA-N 400.483 1.794 30 10 HDEE CC(C)c1ccc(-n2cc(O)c(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)cc1 743358081 BYQBXNPJUZVESB-CZIZESTLSA-N 409.446 1.958 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)c1 748572486 HBSIRHFMVQYEPB-PXKHIBQASA-N 414.462 1.315 30 10 HDEE CCc1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1CCC(C)C 756098306 FEDLNTPRTCFZTH-ZCXUNETKSA-N 416.482 1.073 30 10 HDEE CON=Cc1ccc(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 767150631 XAOUFSKFPTYLRY-LEWJYISDSA-N 406.486 1.996 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767682759 XJGIXYYYLADTTA-GFCCVEGCSA-N 420.418 1.894 30 10 HDEE CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)cc1 771546893 XQWMOIYYIQJFOA-AWEZNQCLSA-N 401.496 1.083 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 774195620 CABBKVPNFCNNLP-CYBMUJFWSA-N 415.309 1.790 30 10 HDEE C#CCN(C(=O)NCCCOc1cc(OC)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 774244623 LDBMXPTUGVVPNX-OAHLLOKOSA-N 410.492 1.305 30 10 HDEE COc1c(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c(C)nn1C 778846961 FQYQDDXUGMNFOF-UHFFFAOYSA-N 403.420 1.420 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2cn(C)nn2)cc1 783047881 UBVKRLDBKNPDOC-OQKWZONESA-N 419.511 1.730 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 785526871 BYUANLWWNQNGRG-UHFFFAOYSA-N 420.516 1.025 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2CCC1CC2 787526261 OHPCKUUFVSCTSY-QGZVFWFLSA-N 404.536 1.591 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)n1 788332836 VZYDNKJBAQPXBE-FQEVSTJZSA-N 409.490 1.363 30 10 HDEE C=CC[C@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 802464706 ADQKIVNYBRKBNJ-KGLIPLIRSA-N 424.464 1.706 30 10 HDEE CC#CCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192069 KVRDOSWQNODJEH-UHFFFAOYSA-N 402.505 1.117 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)cc1C#N 804278390 WRWCADKWYPOQDV-IBGZPJMESA-N 406.486 1.821 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 806372976 ZNEPVCOAZUHVJI-KRWDZBQOSA-N 401.488 1.649 30 10 HDEE COCCc1nnc(S)n1N=Cc1ccc(S(N)(=O)=O)c(Br)c1 807974436 HCAFNMXXIVTPIG-UHFFFAOYSA-N 420.314 1.048 30 10 HDEE Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H]4CCN(O)C4=O)c(=O)c23)cc1 816693963 WFRBGDNWSUWHMF-OAHLLOKOSA-N 412.471 1.930 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)n1C)C2 1133528097 YZUWEZONGAKQRS-HKZYLEAXSA-N 416.478 1.815 30 10 HDEE CS(=O)(=O)Nc1nnc(NC(=O)c2ccc(Br)cc2C#N)s1 1136359304 BLPSXAPVUJASCJ-UHFFFAOYSA-N 402.255 1.796 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1162206782 KTCZVMNPXCRHHF-UHFFFAOYSA-N 417.466 1.213 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)N=S(C)(C)=O)C2)C1 1162645308 GRYNSVDMFTZKCH-YNAXMUEKSA-N 412.512 1.144 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1167951658 AIUBWGZKLRAREF-POAQFYNOSA-N 404.532 1.806 30 10 HDEE CC(=O)N1CCC(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1186687776 FTAIDWNQPPHDMI-UHFFFAOYSA-N 400.298 1.858 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1191211940 RROMSMDUBLXUDO-LAJNKCICSA-N 407.311 1.485 30 10 HDEE CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(Br)c(C#N)c3)C2)nn1 1195846595 KPRFYUSOSPNFFL-UHFFFAOYSA-N 410.253 1.360 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C[C@@H]12 1196198533 NMFJHNQNUDXSTK-LZWOXQAQSA-N 409.533 1.181 30 10 HDEE C#CCN1CCN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CC1 1211560009 BXERSPNJHYNNNG-UXHICEINSA-N 419.547 1.662 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 1212415961 SXFBDFKUWOIYRS-UHFFFAOYSA-N 401.506 1.446 30 10 HDEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@]1(F)CCOC1 1258363574 FKDKIEKWIOXGDD-APWZRJJASA-N 423.466 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1286289121 KNNHZMWZUOAOLH-HNNXBMFYSA-N 414.510 1.575 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Br)n1 1286291131 BPRPGHCNMPGHKB-WCQYABFASA-N 403.284 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CC1 1286303306 BGGVUEBYLDPJDK-OAHLLOKOSA-N 418.519 1.901 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286398485 KAZTXGKVEWRELC-NVXWUHKLSA-N 419.507 1.409 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286429539 UVLPRDMVLNABSY-GOSISDBHSA-N 414.506 1.906 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286686530 AESSFEWHYLESPB-SQNIBIBYSA-N 424.567 1.921 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCCCC2)C1 1286789006 MOMGHJVXERNOLY-LJQANCHMSA-N 409.538 1.631 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cc(C)nn2C)C1 1286798044 GUELGYJBMYZNPT-KRWDZBQOSA-N 422.493 1.797 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1286965824 OEPQTZREVUHWHP-CYBMUJFWSA-N 402.455 1.143 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C1 1287788363 JEFSGOFCJOANSH-FGTMMUONSA-N 404.515 1.215 30 10 HDEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1287895835 CLJJJNHMEYFQOM-IBGZPJMESA-N 422.537 1.761 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCn2ccnc2C1 1288538076 JMJHAWYOJUPUNX-DOTOQJQBSA-N 418.505 1.976 30 10 HDEE C[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1289053375 VOGXCHIADZCDDD-LPHOPBHVSA-N 414.422 1.388 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1289066140 LSXFZMCLRXPCNB-GHTZIAJQSA-N 424.461 1.263 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)n(C)c1 1289348802 JNTXCUNLWLXTLP-GOSISDBHSA-N 402.476 1.361 30 10 HDEE C=CC1(CC(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1291927365 ZGMQFHQSWMVNCI-RSJGLCBASA-N 403.523 1.794 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1)C(=O)OC(C)(C)C 1296985151 XARYZAPBNGLJDG-INIZCTEOSA-N 423.535 1.730 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CCS(C)(=O)=O 1298283907 SRNZBUBJIAHQMO-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H](C)NC(=O)OC(C)(C)C 1298310660 UYRDDXNIKDVBIN-ZIAGYGMSSA-N 409.508 1.891 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1300306913 ACKKJHTXJRDWBM-UONOGXRCSA-N 403.508 1.553 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1300394828 XREFLTQSOMMGIP-KRWDZBQOSA-N 424.505 1.932 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300486937 CIHJWOJVSHSWSR-QGZVFWFLSA-N 418.567 1.988 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1300496738 UMGXXTFSGBQJTG-KURKYZTESA-N 424.567 1.962 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2oc(CC)nc2C)CC1 1300703585 LQKVICKXSUEKLJ-UHFFFAOYSA-N 405.506 1.926 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1301295836 AQLBBCOFIXJKJT-LJQANCHMSA-N 415.563 1.861 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301477795 FKCSYUUYJQQMOH-RDJZCZTQSA-N 402.543 1.836 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1301499667 DHQUACNCVHYGFU-QGZVFWFLSA-N 412.494 1.210 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)C1 1301543595 NAPRWHGHCSCWGR-UTKZUKDTSA-N 421.542 1.625 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(C(=O)c2ccccc2)CC1 1301569241 UCPQFMHZJMRWOF-UHFFFAOYSA-N 417.535 1.540 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)COC1 1303334560 HNKHLBBFAMERDX-UHFFFAOYSA-N 401.467 1.286 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)CCOC1 1303501978 LCLSRFWVBZFMBM-NHCUHLMSSA-N 421.542 1.848 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCCO1 1303627996 RLSIASYNLJXGMF-IAGOWNOFSA-N 404.515 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270765 IKYBYEJYUNSSCI-QCUYGVNKSA-N 411.524 1.467 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)cc1 1307544416 UQQQHLZURFVBRU-LJQANCHMSA-N 420.579 1.336 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCC[C@H]1C#N 1307994875 YLVWJXUKRLODTO-OALUTQOASA-N 404.536 1.285 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)Cc2c(C)nn(C)c2C)c1 1309562624 PCEHXPHXBZTCHM-UHFFFAOYSA-N 420.535 1.790 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@](OC)(C(=O)OC)C2)cc1 1310130847 HDEKJERFWVGZBR-SFHVURJKSA-N 411.480 1.289 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1312625763 KJKCMXJOAAWYPP-STQMWFEESA-N 420.338 1.517 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2cccc(C(N)=O)c2)C1=O 1324668162 AZUPXRRQHVTTFL-GOSISDBHSA-N 410.496 1.650 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1358945356 DBFVNRGDATWRBJ-IBGZPJMESA-N 419.489 1.914 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1358978079 CTACMOSIXWCDPB-GOSISDBHSA-N 406.490 1.997 30 10 HDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359213251 PAKWEDYWOSGYPA-INIZCTEOSA-N 407.482 1.838 30 10 HDEE C=CCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359290474 CLINHXNCGDQZIQ-HNAYVOBHSA-N 404.471 1.774 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2C)C1 1359297944 HMPIWLCQDVEECM-LJQANCHMSA-N 419.489 1.924 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@H](C)C1CCC1 1359301430 YOBPVRSLTMAHII-ZBFHGGJFSA-N 409.556 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1359330642 YFADZMRMKYZHQY-PBHICJAKSA-N 408.499 1.892 30 10 HDEE CC1(C)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1360813872 FZZWJMMJSUYITG-ZPHPHTNESA-N 422.493 1.888 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1360861288 FEWMJSQHHYYOTQ-OAHLLOKOSA-N 422.449 1.185 30 10 HDEE COc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)c(F)cc1C#N 1438029643 AICNKMJVJOYELR-UHFFFAOYSA-N 409.395 1.572 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(OCC(N)=O)c2)c1 1444985587 JNIBHICLVGLYHE-UHFFFAOYSA-N 400.456 1.278 30 10 HDEE COC[C@H](CCO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446074730 HUBIYWDKDBHTDK-WMZOPIPTSA-N 403.479 1.906 30 10 HDEE C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C1CCOCC1 1453747895 WHQGLNRASWZSIM-HNNXBMFYSA-N 407.423 1.341 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1454713552 NZAISIDNNXPIJJ-OAHLLOKOSA-N 402.900 1.854 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@](C)(C(=O)OCC)C3)ccc2c1=O 1454970808 JPCFSNVJZABZLB-HXUWFJFHSA-N 417.487 1.665 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC2(CCOCC2)CC[C@H]1CO 1456062644 SVDFZBYXHBRNBN-SFHVURJKSA-N 411.506 1.931 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2[nH]c(C)nc2C(=O)OCC)ccc1F 1462581097 UTIGUUJGXZHAAY-UHFFFAOYSA-N 410.427 1.751 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)nn1 1464249457 LLRVYHXYVVDUHI-OAHLLOKOSA-N 400.458 1.778 30 10 HDEE Cc1cc(O)nc(N2CCC[C@@H](NS(=O)(=O)Cc3cc(C#N)ccc3F)C2)n1 1464524639 DLMVFWKTHNXHPP-OAHLLOKOSA-N 405.455 1.590 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)CC1 1464842373 BRUOFJRQBQZNNM-FQEVSTJZSA-N 409.486 1.147 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1469107131 DJKBPBFZMUBLBR-BQFCYCMXSA-N 401.488 1.087 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C(=O)OCC)n[nH]2)c1 1469995948 KLHDJSLNRPYNMK-LBPRGKRZSA-N 404.448 1.269 30 10 HDEE C#CCCN(CCOC)C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1470459661 FKQNZFZHNKSJJQ-INIZCTEOSA-N 405.499 1.962 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](Cc3nccs3)C2)c1 1472623214 WUWLUKSECSIDPU-OAHLLOKOSA-N 404.517 1.774 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)CS(C)(=O)=O 1478420638 BRTCFWZFWBBMDA-MRXNPFEDSA-N 406.508 1.424 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@H]1CN(C(=O)NCCn1cnc(C#N)n1)C2 1478603709 JROBJRPZHRDQDZ-YWZLYKJASA-N 417.514 1.876 30 10 HDEE CCc1nnc(N2CCS[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499240099 CRDBPADREAGJPS-ZDBRSUKYSA-N 404.540 1.945 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1503288686 AONAIEAMWJOCSR-YRVHBCJASA-N 417.535 1.827 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(F)(F)C1 1505355952 WHDODOHXTIKTST-XUVDNFPMSA-N 408.409 1.501 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507547805 XPCOQUIVYPSWPN-AYOQOUSVSA-N 400.479 1.864 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1507560371 HMWQQTRFFMXDSD-UHFFFAOYSA-N 410.526 1.185 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1507561257 SLTHCIUHMREGIQ-UHFFFAOYSA-N 421.523 1.680 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1507667585 PBVJPADSQFHIKW-KRWDZBQOSA-N 417.473 1.448 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507686566 BHPGZYIWTBMCQC-OAHLLOKOSA-N 409.416 1.458 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1507688813 DTELHICIFQVYJO-GOSISDBHSA-N 424.530 1.874 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507714773 VUXMDXGBVPXGTJ-GBESFXJTSA-N 405.543 1.715 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(N)=O)C1 1507840233 KIRWVAVKWRLEGA-INIZCTEOSA-N 413.478 1.968 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2nc(C)no2)CC1 1507897145 NDDPUDWFYXJSDD-ZDUSSCGKSA-N 423.543 1.615 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507904549 YYADUJUNOOGIIS-HOTGVXAUSA-N 421.567 1.497 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)CC1 1507920119 SLGZZDLSTMQOTB-UHFFFAOYSA-N 404.559 1.771 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1507973545 IOFSHTLMDNVDFP-HNNXBMFYSA-N 409.498 1.848 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccn2)CC1 1508092464 YRADKILHBRUEJE-KRWDZBQOSA-N 411.510 1.544 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCO[C@H](C(=O)NC)C2)cc1 1508105317 QFDXNIPEEQRPEF-SFHVURJKSA-N 415.494 1.379 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1508818846 QKUDJBFPJJVCAW-CQSZACIVSA-N 403.874 1.494 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1516129675 HWSOZBWSLBLKPM-KXBFYZLASA-N 402.503 1.287 30 10 HDEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1519068634 SFCJSDSQJALBTQ-AWEZNQCLSA-N 405.528 1.871 30 10 HDEE N#C[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCOC1 1521843032 JIZAKQVWAJOBGL-PXNSSMCTSA-N 403.504 1.690 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(NC(=O)OCc3ccccc3)CC2)n1 1524967542 ABKXGNUOKRRHQT-UHFFFAOYSA-N 410.474 1.950 30 10 HDEE C=CCn1cc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)nn1 1529264589 CZVZGJCSQBNQJF-UHFFFAOYSA-N 406.464 1.106 30 10 HDEE CC[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C(=O)N1CCOCC1 1531979345 CESORCVRQNYZII-OAHLLOKOSA-N 410.268 1.453 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1539223045 YXKBGDUZHKGSSR-KRWDZBQOSA-N 421.567 1.479 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1CCCO 1539273499 VCESDPKMKOIZEI-HXUWFJFHSA-N 409.538 1.059 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](C)N2CCCCC2)CC1 1539428648 VHTCOANBNHGUSZ-IBGZPJMESA-N 415.586 1.436 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C(C)C)CC1 1539462163 CTSHOUYOWGMXDB-BBTUJRGHSA-N 405.543 1.164 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cncn2)C1 1539518321 XRSJLFLQBJMVDL-DLBZAZTESA-N 401.540 1.972 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 1539703095 WHEAPTWNBSOVQD-UHFFFAOYSA-N 406.280 1.547 30 10 HDEE C=C(C)Cn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1539717639 OFSAKBQQDZOKPW-INIZCTEOSA-N 412.494 1.998 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CC(=O)NC(C)(C)C 1540872406 OUXRMLYVXMWCNF-UHFFFAOYSA-N 412.538 1.830 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@]1(OCC)CCOC1 1540876641 XLDGZYLJOULUHV-PMACEKPBSA-N 407.515 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1nccs1 1540904100 JBAODEZATYPRFI-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555271589 JIAGKYNAKAWVRK-KRWDZBQOSA-N 424.484 1.861 30 10 HDEE CN1CC[C@H](N2CCC(NC(=O)Cc3ccc(Br)cc3C#N)CC2)C1=O 1556527325 VKPINJZEANULEH-KRWDZBQOSA-N 419.323 1.675 30 10 HDEE N#Cc1cn(CCNC(=O)CSc2ccc(Br)cc2)c(=O)nc1O 1557599554 BWMQIOOAZMRZKM-UHFFFAOYSA-N 409.265 1.492 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)OC1(C)C 1558163482 CKHDUWQVTAGHII-HXUWFJFHSA-N 405.304 1.792 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C[C@@H]3CCCO3)C(=O)OC)n[nH]2)c1C 1558283897 ASXVOEFUWYLAHN-WMLDXEAASA-N 401.467 1.917 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1cc(F)ccc1F 1558801578 WTYHYEKIJXXAHP-MRXNPFEDSA-N 423.441 1.633 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC 1561154574 GETRJZNJYPKPCS-LLVKDONJSA-N 409.913 1.721 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 1562432082 GLVUTLVCIPPLJL-UHFFFAOYSA-N 424.498 1.764 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1563782150 ZBKRWSWGPNDYIR-MSOLQXFVSA-N 405.520 1.841 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)cc1 1564799148 ZRSZCQDSLVDKFB-UHFFFAOYSA-N 408.458 1.946 30 10 HDEE C[C@H]1CC(=O)N(C)c2ccc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc21 1587419366 FLFLTYHMHOIBMK-LBPRGKRZSA-N 412.471 1.834 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1587638305 CSHDKMWELNOJJH-WBVHZDCISA-N 402.520 1.889 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1587755323 YRHDNNDEZAVPEW-HNNXBMFYSA-N 403.512 1.009 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)c1 1588154702 HOCHASMQQYQXAY-UHFFFAOYSA-N 412.501 1.956 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@H]1CCCC[C@H]1C 1588266751 VCPKKUPWQBIOLK-IKGGRYGDSA-N 411.572 1.943 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1588638239 QGHCKGISZVEKDW-IAGOWNOFSA-N 411.510 1.398 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(NC(C)=O)nc1 1588647815 YTXWOEAYACFFFU-SFHVURJKSA-N 412.494 1.660 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[C@H](O)C2)CC1 1588914049 UBENCCBHONXRBK-WMZOPIPTSA-N 410.522 1.790 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CCCN1CCN(c2ccncc2)CC1 1594943434 QZBGEFBZNUNWJV-UHFFFAOYSA-N 419.537 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCC(C(N)=O)CC1 1595517472 ZDYPTRJQPHRHIB-UHFFFAOYSA-N 419.489 1.497 30 10 HDEE C=CCC1(O)CN(C(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C1 1595700258 VKQJCAAISUAHCW-UHFFFAOYSA-N 413.515 1.898 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C[C@@H]1CCOC1)C1CC1 1595784795 KUHYJJRISBBTQY-HNNXBMFYSA-N 405.524 1.879 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)nc21 1596978730 RTHITGPXIANDPV-AWEZNQCLSA-N 406.450 1.371 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1613974505 RVDGCFAPJQLVAK-NRFANRHFSA-N 412.517 1.868 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc(I)c2)c(=O)nc1O 1618268315 HENKNICAVXITLL-UHFFFAOYSA-N 410.171 1.454 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(OC(C)C)c2)CC1 1623499147 RLIXEOABRKSYTI-UHFFFAOYSA-N 422.323 1.744 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(COCCO)cc1 1627041480 VXUSPVPWQZKSJQ-AWEZNQCLSA-N 403.460 1.373 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(CC(=O)OC(C)(C)C)c2)c1 1627544844 IAEPUDXMKMKKGY-UHFFFAOYSA-N 420.491 1.941 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)c1ccccc1 1630914768 UTUFAUGYDWCSGZ-MSOLQXFVSA-N 400.504 1.918 30 10 HDEE C[C@]12CCN(C(=O)Cn3cnc(C#N)n3)C[C@H]1C2(Br)Br 1632806023 OAJGWOKQBDCYAO-KCJUWKMLSA-N 403.078 1.504 30 10 HDEE O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)NCc1ccc(C(=O)NO)cc1 1634100366 WTAGTKQRRAOKEP-MUUNZHRXSA-N 404.444 1.391 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)n1 1634602088 VWAWJRDHLNIJDY-AEFFLSMTSA-N 422.526 1.355 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1636290121 YOCGHIHTGQLUER-KBXCAEBGSA-N 417.462 1.964 30 10 HDEE CON=Cc1ccc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1637694424 BEMZFOAOVXRRHN-UHFFFAOYSA-N 404.492 1.523 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl)C(=O)OC 1637696648 HNXZWBARXQNFGX-OAHLLOKOSA-N 400.884 1.665 30 10 HDEE Cc1ccc(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1638429617 AVJPPXGBFNBPHC-UHFFFAOYSA-N 422.356 1.448 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 1639684858 OPWIWJOJMBVMQJ-CEQIKUNHSA-N 418.563 1.550 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1640284987 WFXBXYXQQATBNK-INMHGKMJSA-N 404.442 1.089 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 1640915871 CAMGFIJHSJMWFL-MRXNPFEDSA-N 407.517 1.517 30 10 HDEE C=CCNC(=O)NC(=O)Cn1nnnc1Cc1cc(Br)ccc1OC 1640950077 QGXNVAHGSDHACW-UHFFFAOYSA-N 409.244 1.047 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1641030781 YPGFPWOSPLLICB-NRFANRHFSA-N 413.478 1.874 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1643925394 CHNMZRSOPQNRSO-LSDHHAIUSA-N 405.451 1.432 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)ccc1Cl 1644115602 FAISHGGYKLFNNC-BGYRXZFFSA-N 402.882 1.880 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)C1 1644557917 GUMSHOATUVINNI-QVKFZJNVSA-N 405.495 1.488 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C2CCOCC2)C1 1645204635 COVCCCAJBKGJOF-QAPCUYQASA-N 405.520 1.890 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ncc(Br)cn2)c1 1648370467 RNAWUNZTBWSNRH-UHFFFAOYSA-N 409.265 1.081 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3cc(C)c(C#N)cn3)CC2)cc1[N+](=O)[O-] 1651274916 USRXTXUIJVMAOX-UHFFFAOYSA-N 417.447 1.689 30 10 HDEE N#CCCn1ncc(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)c1-c1ccccc1 1653312234 FUMJHWXLLHPQEG-MRXNPFEDSA-N 403.446 1.968 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC(c3nnc(O)o3)CC2)CC1 1658631191 HQLXALIIKAPTQP-HNNXBMFYSA-N 416.507 1.425 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OCC 1663905074 HKYVYTCMKMTWLL-MRXNPFEDSA-N 414.911 1.982 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](O)C1 1665084069 HTESTWVBGMUDSH-LSDHHAIUSA-N 415.899 1.860 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1C 1671494866 HHJIVIAYYWCKKU-VVLHAWIVSA-N 409.531 1.496 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)CC1 1678385862 ODPDIZIQJGBMPW-KDOFPFPSSA-N 408.499 1.244 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1681514788 CFKXYEBVLYJLMK-ROUUACIJSA-N 412.494 1.451 30 10 HDEE C=CC[C@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1686475785 HGEVLUFGXKLUGT-LJQANCHMSA-N 402.539 1.594 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(CN2CCOCC2)c1 1689959813 NUASHKWVUJXBOY-UHFFFAOYSA-N 403.490 1.685 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1689982702 SFNFSSNVISUAAJ-SFHVURJKSA-N 402.520 1.773 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(C(C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1689988914 YOOOOOZDYPFMCH-SFHVURJKSA-N 419.551 1.041 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1690046334 AZHWNIAQPXZPDF-GJZGRUSLSA-N 412.462 1.067 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCS(C)(=O)=O 1690082672 KJANTOQHNRMDHP-UHFFFAOYSA-N 409.537 1.164 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc([C@H](C)OC)n1 1690102448 LDXJVZIENWGOFB-ZFWWWQNUSA-N 418.523 1.527 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCSC1 1690106305 QNJCXPYAJCURSV-HXUWFJFHSA-N 420.510 1.950 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690226867 OOYVIGXADQBKMU-MRXNPFEDSA-N 404.272 1.360 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1690527667 QWWBLYFNTPLLHL-ZDUSSCGKSA-N 407.471 1.580 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1690592624 DETBESNTUVSFLV-MRXNPFEDSA-N 410.526 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](COC)C1 1690726856 NTEBQSPDQAENMH-SFHVURJKSA-N 419.551 1.728 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCCCCC2)CCO1 1698492322 DWIKGMPTYWGUJR-IAGOWNOFSA-N 402.499 1.651 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705516470 CDHKQEFOVOKSEH-ROUUACIJSA-N 423.583 1.693 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705556906 MXPHSRGCBXAAQB-LJQANCHMSA-N 415.563 1.947 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1705604715 SDTGWPFEARQUIB-DRMAHVMPSA-N 409.556 1.289 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)CC1 1705769633 YKYLNLQQQHYQLV-MRXNPFEDSA-N 407.496 1.409 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1)C1CC1 1705853459 AZBACCFRFOYUNC-INIZCTEOSA-N 409.556 1.956 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nnc2n1CCCCC2 1705883617 OPWKTQLUDFRHNT-UHFFFAOYSA-N 411.514 1.684 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1709445731 ZCVXOQSKHGSMQK-RTBURBONSA-N 404.446 1.999 30 10 HDEE CCn1cnnc1Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1710201085 HVCHLYUSKFYDKX-KXBFYZLASA-N 402.503 1.717 30 10 HDEE CO[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1711619644 DUYDBCROEOGBHI-OALUTQOASA-N 415.429 1.173 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OC 1712530829 NEZNLHDUJHNFDF-LIRRHRJNSA-N 404.446 1.896 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCOCC2)C1 1712875728 GSTZMKSBTURBJQ-YLJYHZDGSA-N 406.506 1.726 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CC(=O)NCc2ccco2)cc1 1712879841 OKJPVKOEGPMWLQ-UHFFFAOYSA-N 419.445 1.052 30 10 HDEE N#CC1CCN(c2nnc(CCc3ccccc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1712883736 XWLLXZCYLQXQJN-SFHVURJKSA-N 421.505 1.791 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1722316123 BPNQWBMGOFSKNV-KGLIPLIRSA-N 420.457 1.751 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCCCS1(=O)=O 1722424684 WEJPKYYCMHFRCA-GOSISDBHSA-N 402.520 1.998 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1 1722466230 MKHBYUANQSFFHG-JOCHJYFZSA-N 423.521 1.640 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1729777157 BSPBDBODQCIJMD-QGZVFWFLSA-N 421.461 1.510 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCC(O)CC1 1740531398 KYZIKICBMJFRRM-INIZCTEOSA-N 411.510 1.230 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCO[C@@H]1C 1740636766 BZOMLCPBJMXQDL-WZONZLPQSA-N 416.485 1.744 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1740668840 BUYBAKGRMSXVBL-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nccc(C(F)F)n2)n1 1740687460 FRACOPGFVGZELM-UHFFFAOYSA-N 416.436 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCC[C@H](C)C2)CC1 1740708445 PSMWFUFMLQFDJP-SFHVURJKSA-N 412.582 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1CCOC1=O 1740725304 JWCBYCSRAIHAJP-OXJNMPFZSA-N 405.499 1.837 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1740940619 NBAQFWORHXIJAF-SFHVURJKSA-N 422.493 1.497 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(=O)N(C)C)C1 1740972985 PIPDLQLLTDIPDO-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1741303271 SAVVHASIAUYOIE-JBYIUTFZSA-N 408.506 1.939 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1748045728 JZKMGSNOYUUXPT-KXBFYZLASA-N 400.870 1.806 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748638717 UVZQTVXANCNFJN-ZIAGYGMSSA-N 400.449 1.758 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCN(CC)CC1 1748780999 SYGBPMZQMFQGMT-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1748816143 XNOWBEICIDNEFZ-KRWDZBQOSA-N 416.551 1.653 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748818872 HJFFIUVQPJKPCP-SFHVURJKSA-N 417.535 1.053 30 10 HDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1748820150 ZQJJYMAJWDTLNJ-GOSISDBHSA-N 424.530 1.719 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OC)n1CCC)[C@@H]1CCS(=O)(=O)C1 1748824922 TYXZCHWCEYFIQF-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748939276 WTUWTLOXXQPGIP-QINHECLXSA-N 424.567 1.206 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(CC)CC)CC1 1749010464 RZMYXDGKSQGZQM-PKOBYXMFSA-N 416.570 1.478 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1749043046 CWNLRXKTLJANAZ-INIZCTEOSA-N 418.567 1.262 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749409609 WSQCTGDYRSHJOT-DYESRHJHSA-N 418.542 1.889 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1749428854 CMVOFFZWYLLAKC-MRXNPFEDSA-N 414.514 1.599 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@H]1C 1749658285 MQNDVUYDHBFIHB-LSDHHAIUSA-N 407.482 1.458 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N(C)CCS(C)(=O)=O 1749689764 JZAOCMBYRGZAOA-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(OC(C)C)CC1 1749735799 XREKFTSGOALRRA-INIZCTEOSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1749743855 BAQVSSYHMUWQEG-PBHICJAKSA-N 417.601 1.813 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@H](C)C#N)CC1=O 1749860853 BGKRDJREHIHAJN-AEFFLSMTSA-N 421.505 1.908 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1750066294 IELUPZBVQSWKLB-ZDUSSCGKSA-N 423.930 1.625 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCCS(C)(=O)=O)C1 1751276172 ACQFYCYELJEOCY-LJQANCHMSA-N 402.524 1.829 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)cs1 1751782307 DMPSKAMAMXZBPN-KRWDZBQOSA-N 423.502 1.510 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC1(OCCOC)CCOCC1 1760109748 DJSVSLNGIYYGJG-MRXNPFEDSA-N 400.483 1.405 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1760117462 PEGHXALYJQZQJF-QAETUUGQSA-N 409.556 1.505 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@@H]1C(=C)C 1760194090 ZDVLOJLCSKVYFG-IEBWSBKVSA-N 404.474 1.979 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1760260270 YNUZZAMUCYSWAV-FQEVSTJZSA-N 400.571 1.538 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 1760264872 HFIBIDWXVKDGSD-NRFANRHFSA-N 403.527 1.347 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C)C1 1760321897 LJORBLMZVKTFAC-VQHPVUNQSA-N 410.540 1.387 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1nncn1C 1760348985 UXSXXIOEOWEVNX-MRXNPFEDSA-N 414.514 1.577 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCCC2(C)C)CC1 1760382649 VQLXOFMCYNFCFH-BEFAXECRSA-N 411.572 1.986 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC(CO)CC1 1760525577 KIHWTCXQXDRNPT-UHFFFAOYSA-N 408.506 1.861 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@](C)(O)C2CC2)C1 1760537807 QLAYBADZRSHHQY-QMMLZNLJSA-N 406.527 1.873 30 10 HDEE CC(C)C(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1760848253 UPZXABKUULIPCF-IBGZPJMESA-N 410.522 1.954 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C(C)C)N1CCOCC1 1761194906 HVKRSOWHHINCGP-IRXDYDNUSA-N 405.547 1.511 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF 1761467397 YEAQJSRSEKSJPZ-VBNZEHGJSA-N 406.487 1.927 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1761837803 QNEGFFZBSXPTCB-IPMKNSEASA-N 413.478 1.434 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1765482875 PJIRORJCAFYJTK-BBWFWOEESA-N 404.515 1.453 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1850302618 QUOMCICVXRUMJW-LJQANCHMSA-N 405.564 1.857 30 10 HDEE COc1cc(NC(=O)CN2CCN(c3nccc(C#N)n3)CC2)cc(OC)c1OC 1851308144 WLMRHONVGZBBFR-UHFFFAOYSA-N 412.450 1.135 30 10 HDEE CN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1)c1ncccc1C#N 1851568967 AWJCUHFOBOAKJP-UHFFFAOYSA-N 406.490 1.926 30 10 HDEE Cc1nnc2c(N3CC[C@H](NC(=O)c4cnc5c(c4)c(C#N)cn5C)C3)nccn12 1852830122 DLEMLJRMAZDQLX-HNNXBMFYSA-N 401.434 1.200 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1=O 1853010415 KUBSRYMIJZGONF-AWEZNQCLSA-N 411.911 1.207 30 10 HDEE O=C(c1cccnc1N1CCOCC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853141904 NPBAVCDSTMZICS-UHFFFAOYSA-N 406.386 1.402 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853390410 VHZZXPSBSJZJKM-HNNXBMFYSA-N 406.446 1.059 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCCN2CCN(C)CC2)c2ccc(C)cc2)CC1 1853415651 JRYCSOISCHCHIT-UHFFFAOYSA-N 420.579 1.949 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)s1 1853605186 ZENUXSUSBOAOLD-OAHLLOKOSA-N 408.483 1.844 30 10 HDEE Cc1cccc(C(=O)N2CCC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1854253221 TYVDINXVWRQVCY-LJQANCHMSA-N 404.474 1.609 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc3c(c2)[C@H](C)CCN3C)CCN1S(=O)(=O)CC#N 1854708533 LDFXWEPJKAFLPX-KGLIPLIRSA-N 404.492 1.156 30 10 HDEE C[C@@H]1CCN(C)c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)cc21 1854708539 LDFXWEPJKAFLPX-ZIAGYGMSSA-N 404.492 1.156 30 10 HDEE C=C(C)CN1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C(=O)[C@H]1C 1854734999 BGLPDZVJDRJXPW-MRXNPFEDSA-N 408.520 1.885 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)c1 1856097081 BDRUOZMEYPAWRJ-RTWAWAEBSA-N 410.518 1.876 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC(c4nc(C5CC5)no4)C3)CCC2=O)ccn1 1856666668 MJMGTMNCGXLSJT-CYBMUJFWSA-N 406.446 1.692 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1856828795 WKFMDYISOJPBGV-ZWKOTPCHSA-N 420.554 1.707 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccno3)C2)CC1 1857249712 WOVNYERQDWFEGV-MRXNPFEDSA-N 409.446 1.721 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cn2cnc3ccccc32)C1)[C@H]1CCN(C)C1=O 1857263491 HFNCLNFFRRCGOP-LPHOPBHVSA-N 409.490 1.130 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)Cc3cccc(OC)n3)CCC2=O)CC1=O 1857368685 JJJVKPMMTNNDFI-IRXDYDNUSA-N 414.506 1.322 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 1858640734 LRQKKOCPAUMALJ-UHFFFAOYSA-N 405.451 1.859 30 10 HDEE CNC(=S)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C#N)c2)cc1 1859000325 KQAWAUNFFZGDLN-UHFFFAOYSA-N 417.516 1.705 30 10 HDEE C=CCNC(=O)[C@@H](CCC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861601543 XFACOLDOJXIDDC-GOEBONIOSA-N 401.463 1.413 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(CC)CCO)=C(N)Oc2c1c(C)nn2C 1865227602 MXYULAZMCVRCCQ-GOSISDBHSA-N 412.490 1.829 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1866304397 JLJLSAQTXHINCT-CYBMUJFWSA-N 406.398 1.707 30 10 HDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870514589 AHXMSSVUOFOAEY-UHFFFAOYSA-N 418.538 1.336 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@H](C)C2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540976 MJJDVINAZLTMDB-OKILXGFUSA-N 400.483 1.688 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccn2)CC1=O 1874274856 VONZLXAXHUQBIA-NLTBIBMSSA-N 401.496 1.247 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(S)n2/N=C/c2cc([N+](=O)[O-])c(O)cc2O)CC1=O 1874566196 NRHACDANPUUOML-DSSNYXJPSA-N 420.451 1.883 30 10 HDEE CN(CC1CCN(C(=O)C2CN(c3ncc(F)cn3)C2)CC1)c1ncccc1C#N 1890124006 VTFRAEFXDWGEGY-UHFFFAOYSA-N 409.469 1.694 30 10 HDEE C#CCN(CC(=O)NCc1c(Br)nnn1CCC)C(=O)OC(C)(C)C 2060604009 YVIZWUSLMFGOLV-UHFFFAOYSA-N 414.304 1.937 30 10 HDEE C[C@@H](CCC#N)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2160653453 BRSXCNWMGTYBTM-QMMMGPOBSA-N 408.217 1.960 30 10 HDEE CN(C)[S@@](=O)(=NCCOC(C)(C)C#N)N1CCN(C(=O)OC(C)(C)C)CC1 2174563741 AKZWOJOWUOFINU-MHZLTWQESA-N 403.549 1.717 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674536 KPWFJINAZDATJK-MNOVXSKESA-N 424.332 1.359 30 10 HDEE C#CCN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2243678968 QJPHEKDVMIIGMH-UHFFFAOYSA-N 422.316 1.068 30 10 HDEE Cc1c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247777850 SKSTUMPNNCRXHP-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247837140 NWVKFRGOPQZOBI-UHFFFAOYSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247859631 XHNWUAWYRGMFSI-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE Cn1cc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255654498 XWDQBIUKDUTRJV-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4CN(Cc5ccccc5)C[C@H]4C3)[nH]n2)OC1(C)C 2255829195 KRYFVWHFHUXVOS-ROUUACIJSA-N 422.338 1.913 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2258167265 FOPAHPNHSXYIKD-INIZCTEOSA-N 403.416 1.680 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](O)C(F)F)cc2Cl)OC1(C)C 2267356768 NRHTXSWHLQLTRH-QMMMGPOBSA-N 417.692 1.605 30 10 HDEE C[C@H](CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(C)(=O)=O 2281806987 IDYUTNJIOZMAAC-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N[C@@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282017825 PFIFHCVJORESGY-MNOVXSKESA-N 400.331 1.138 30 10 HDEE COC1(OC)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282323272 YOGALAGQTFXPEH-UHFFFAOYSA-N 403.331 1.349 30 10 HDEE CC1(C)CN[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331334 MGLZXUUPEGYIOJ-CYBMUJFWSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCC[C@H]3CO)s2)OC1(C)C 2282340342 DSEVSXGTMFVIQC-OLZOCXBDSA-N 401.359 1.734 30 10 HDEE CC(F)(F)C[C@H](CO)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282420989 HZSKGBCEUINMBA-SNVBAGLBSA-N 411.301 1.732 30 10 HDEE C[S@](=O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282511418 MEQKRGHDXWORKS-VWLOTQADSA-N 419.761 1.391 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282620466 FUCOBVPKKLVZFZ-WDEREUQCSA-N 402.347 1.336 30 10 HDEE CCCC[C@@H](CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842406 XXAAUUFKPMYGQR-LBPRGKRZSA-N 403.379 1.379 30 10 HDEE C[C@@H]1CC[C@@H](CO)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282862181 ZJQHBDMDTTVJEG-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@@H](O)C2)OC1(C)C 2282866974 RGYGMDNLKZDOCN-UONOGXRCSA-N 401.359 1.770 30 10 HDEE CN([C@H]1C[C@@H](C(=O)O)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284398061 TXOVNBQJEMPWQC-PHIMTYICSA-N 401.315 1.531 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400766 YCBQSVPNTRSHKM-INIZCTEOSA-N 403.331 1.825 30 10 HDEE Cn1nc(C(=O)N2CC(P(C)(C)=O)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2286172154 KCDFPUXXYHRLQQ-UHFFFAOYSA-N 401.640 1.820 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2304824530 BXZMQINHJGBEMH-UHFFFAOYSA-N 423.294 1.914 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@H]3CC[C@H]2O3)OC1(C)C 2359276399 OZBUFXMJMXKUGP-DMDPSCGWSA-N 400.331 1.182 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@@H](CS(N)(=O)=O)C2)OC1(C)C 2364859470 ZQGAWTIIQNSGML-LLVKDONJSA-N 401.725 1.149 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365206335 GMYJFPKQSBOSCY-CVEARBPZSA-N 402.557 1.538 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2365208647 DEURATFZZVRFCL-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C 2367792882 SDYNZMJRYHNGDG-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)CN(C(=O)OC(C)(C)C)[C@@H]1CCOC1 2367794799 JCEXOQPRPCPZCW-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367797312 UMEWEWIRMXDLEY-CVEARBPZSA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2367809982 SIBBEYFQBGCNHE-ARFHVFGLSA-N 400.541 1.163 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(O)CCCSC2)OC1(C)C 2369681346 GUIRPLDJZSKOJZ-MRXNPFEDSA-N 419.399 1.584 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 27903232 GADGUCYYCAQRKP-QGZVFWFLSA-N 413.522 1.060 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 130063832 AITKUFMGMQWXEH-QMMMGPOBSA-N 408.217 1.912 30 10 HDEE Cc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)C2=O)cc1 219962698 FDNWGOWIMRFBGM-QGZVFWFLSA-N 406.446 1.579 30 10 HDEE CC(C)n1cc(C(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)nn1 429678576 FVNQUMSWIJEQSB-MRXNPFEDSA-N 406.450 1.766 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC2(CC#N)CC2)CC1 431047638 HPTYNWOLNCERCT-UHFFFAOYSA-N 421.479 1.613 30 10 HDEE Cn1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc(Br)c1=O 435614043 DNNDIDVUWHQTFT-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](Nc2ccc(C#N)c(N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)n2)CC1=O 436403576 JCMDVYWTYVIJFG-WILKKADYSA-N 408.506 1.796 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2)nc1 436868964 JYTYBCAZQUKLMO-AEFFLSMTSA-N 406.442 1.943 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccccc1Cn1ccnc1 443007185 LXAMPTXKEGPPEN-MRXNPFEDSA-N 423.502 1.492 30 10 HDEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447784278 ALZADTXKAOVZBE-UHFFFAOYSA-N 419.510 1.241 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2nc3ncc(Br)cn3n2)cn1 461284536 QBPXYGYLYAUXQP-UHFFFAOYSA-N 410.195 1.591 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461749080 MDEONHGICVHKNZ-UHFFFAOYSA-N 410.459 1.618 30 10 HDEE CCOCc1nc([C@@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)no1 462301822 LNZFXRBMNWPYSS-CYBMUJFWSA-N 402.459 1.113 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(-c2ccccc2)c1C 467153847 XGNSSKYDVILESX-KRWDZBQOSA-N 415.519 1.657 30 10 HDEE N#CCCN(CC(F)(F)F)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 482637633 CDADTFWVGIQTDS-UHFFFAOYSA-N 400.342 1.016 30 10 HDEE C=CCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 484613915 HGGBCAMTZRARCO-MRXNPFEDSA-N 410.492 1.239 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@H]3[C@H]3CNC(=O)C3)C2=O)cc1 488266394 PNARWRFDFRIDEI-QYZOEREBSA-N 409.490 1.359 30 10 HDEE COc1ccc(CC(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 507824909 LRIZBENHMAKHCP-UHFFFAOYSA-N 421.519 1.411 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)cc1 520976563 GMINMCHMKDFSMC-IBGZPJMESA-N 415.515 1.580 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3cccc(C#N)c3)CC2)cc1 531149136 HVILDCSPNLJMGS-UHFFFAOYSA-N 411.483 1.836 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 547405491 LSRWHEUUALFRCT-AWEZNQCLSA-N 406.460 1.868 30 10 HDEE CN(CCC#N)S(=O)(=O)Nc1cccc(I)c1C(=O)O 548589762 GMBLNXFZQOJDQK-UHFFFAOYSA-N 409.205 1.492 30 10 HDEE CN(C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 551203550 ZMDXISGFCMXWHB-CQSZACIVSA-N 419.956 1.341 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2OC)c(=O)n1-c1ccccc1C 555204665 BQAUWHNUDWCMKB-UHFFFAOYSA-N 423.469 1.604 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cnn(C)c2)C2(CO)CCC2)cc1 564240059 DMEYFTJCZSVDPV-GOSISDBHSA-N 418.519 1.518 30 10 HDEE C[C@@H](C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)n1cnc(C#N)n1 585749335 IYOMPKBPJPRKHS-VIFPVBQESA-N 401.370 1.449 30 10 HDEE COc1ccccc1OCC(=O)OCCN1CCN(C(=O)c2cccc(C#N)c2)CC1 586385742 RSDIFQPKXOINAY-UHFFFAOYSA-N 423.469 1.947 30 10 HDEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)c2cc(C#N)c(SC)nc2O)c1 608988982 QSURXQYDZPRXOK-JTQLQIEISA-N 406.489 1.780 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 609070830 QMYWRABTGQOZJB-QGZVFWFLSA-N 412.519 1.686 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1S(=O)(=O)NCC#N 609411776 ROYJOITVYUYUJH-OAHLLOKOSA-N 424.486 1.869 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 729425387 HLHRDONNACBKIN-IRXDYDNUSA-N 408.545 1.725 30 10 HDEE CCc1nc(CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)cs1 732464941 AGNNIVPHGLHAHI-ZCXUNETKSA-N 418.523 1.059 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(C(=O)CC2CCCCC2)CC1 732468201 GJVJEDDMFCVUQT-VXPUYCOJSA-N 417.510 1.337 30 10 HDEE CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732648605 RHZJHDDPEULBRB-SFHVURJKSA-N 404.536 1.717 30 10 HDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732663701 CNJPWAQEOZHCJT-UONOGXRCSA-N 421.479 1.238 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 741692444 WNMJKEMICXTZCR-AYGAQVIVSA-N 406.483 1.713 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccccc3OC)C2=O)cc1C#N 746872925 QSMXHLKKNHPYRR-JOCHJYFZSA-N 422.441 1.659 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)Cc2ccc(OCC#N)cc2)c1 750036960 MNDJUKGKQCYCLJ-UHFFFAOYSA-N 420.418 1.856 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 757362443 SFXSEVVIUVJWOT-UHFFFAOYSA-N 402.513 1.654 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(O)Cc3ccccc3C2)C1 758776875 MKOFXFPREJWDPZ-IRXDYDNUSA-N 400.479 1.575 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCC2=O)cc1C 760543782 XQBHPDHNWHPTMZ-HZSHHLKBSA-N 410.474 1.689 30 10 HDEE CN(C)c1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 766806272 JOQMPNQDFHPIKC-AWEZNQCLSA-N 413.341 1.876 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 766980451 SBSWHJYNJOIDPQ-CQSZACIVSA-N 423.516 1.463 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(C(F)(F)F)nn(CC)c2C(F)F)CC1 769187733 KRGJIVMYBQEEFB-UHFFFAOYSA-N 421.370 1.367 30 10 HDEE C=CCN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CC1 771468425 KTLPRXOYPDZYDQ-JOCHJYFZSA-N 414.506 1.537 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)nn2C2CCOCC2)cc1 771783393 DKVCBTMATHTWGV-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE COC(=O)COc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1Cl 771789847 CDQPUJPJWJKMNB-ZCXUNETKSA-N 407.810 1.747 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)NC1CCN(C(=O)CC(F)(F)F)CC1 773295989 KQHKDQPHQFMZLH-UHFFFAOYSA-N 411.380 1.697 30 10 HDEE C#CCN(C(=O)NCc1nccn1CCCc1ccccc1)[C@H]1CCS(=O)(=O)C1 774241835 CFVDHLCCTRUDNW-IBGZPJMESA-N 414.531 1.848 30 10 HDEE O=C(C[C@@H]1SC(=Nc2ccccc2)N(CCC2CS(=O)(=O)C2)C1=O)NC1CC1 786689594 UAIBBTPHEDBTIF-INIZCTEOSA-N 421.544 1.722 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C(=O)NC)C(C)C 787750791 QQVBFTVYBFFGOZ-ZBFHGGJFSA-N 408.524 1.171 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2ccc(OC)c(C(=O)OC)c2OC)n1 788695945 AXMSTCRDEHUMPW-UHFFFAOYSA-N 421.475 1.531 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)n1 789323741 RKZBSJOFDRTEFM-UHFFFAOYSA-N 404.492 1.007 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])c3nsnc3c2)n1 790105058 PLLODFDYLLOWIX-UHFFFAOYSA-N 400.420 1.718 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)N2CCC(COC)(C(=O)OCC)CC2)cc1 797386677 XMRSNTJAJARVIN-UHFFFAOYSA-N 402.447 1.455 30 10 HDEE Cc1ccc(NC(=O)COC(=O)c2cc(C#N)ccn2)cc1S(=O)(=O)N(C)C 803848067 DTCPYPKRNZNIKO-UHFFFAOYSA-N 402.432 1.308 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)/C=C\c2ccncn2)cc1Br 809124848 RDHNWZBSPFCCCX-UPHRSURJSA-N 411.212 1.768 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 812528117 ZOSNYNOXKGHPML-KRWDZBQOSA-N 417.418 1.568 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1C1CCC1 814253672 KIWXIJCMGPKIIR-UHFFFAOYSA-N 413.547 1.661 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cn2c(SC(F)F)nc3ccccc32)CC1 842423643 KUFQODJAWCVYPY-UHFFFAOYSA-N 423.489 1.797 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)CCCOc1ccc(C#N)cc1OC 1132976974 KCDHYMLEMKQLRZ-NRFANRHFSA-N 405.495 1.531 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2ccco2)c1 1136358176 IAIDAGORPOWYIK-LJQANCHMSA-N 414.483 1.998 30 10 HDEE COC[C@](C)(CC(=O)OC)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1137046155 IYSCWDYMCYFJKK-SFHVURJKSA-N 424.295 1.841 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(O)ncc1Br 1137537003 FJVWUFOFGITDFO-SNVBAGLBSA-N 403.240 1.562 30 10 HDEE CCn1nc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1C1CC1 1141412080 XWNLWXMSAXTGBT-UHFFFAOYSA-N 413.503 1.799 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1C[C@@H](O)C[C@@H](O)C1 1149241829 QEUZRURCYNWUAO-SOLBZPMBSA-N 401.463 1.347 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 1149438969 YQJJRMZDLFQKJL-UHFFFAOYSA-N 400.460 1.628 30 10 HDEE COC(=O)[C@@]1(F)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1149485479 ZVNDKMBWLPAODU-BANHHRGYSA-N 409.458 1.887 30 10 HDEE C=CC1(CC(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)CN(C(=O)OC(C)(C)C)C1 1152771548 KUACDJRBHRSYNW-INIZCTEOSA-N 409.527 1.895 30 10 HDEE C[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1CSCCSC1 1153865199 CPWGKVWERITZAS-RDBSUJKOSA-N 400.570 1.947 30 10 HDEE C=CCOC[C@H](NC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1155778781 ABMBNGWROBTZRI-HIFRSBDPSA-N 422.482 1.608 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccccc2C(F)(F)F)CC1 1175515251 UQXIKHBJIGLDGO-ZDUSSCGKSA-N 403.426 1.421 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(C3CCCCC3)nc2C)CC1 1175515272 VGROCBPMYYJCKL-UHFFFAOYSA-N 410.565 1.725 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCC2(C#N)CCOCC2)C1=O 1180617444 QRFRCRHXDZATON-OAHLLOKOSA-N 408.499 1.186 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cnn(C)c2I)C1=O 1220148929 SEHBAHWCSHFOKR-JTQLQIEISA-N 403.224 1.275 30 10 HDEE C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1235543469 HCMFTFHXDCDTGY-UHFFFAOYSA-N 405.879 1.439 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 1252550479 RSPNGALCKOSIOI-LBPRGKRZSA-N 414.440 1.125 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CC1 1272408587 MMBYRFUHOLGFSK-LBPRGKRZSA-N 418.381 1.392 30 10 HDEE Cc1cc(C#N)cc(N(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)C2CC2)n1 1278744112 ZEYCZQLSVHWHGN-UHFFFAOYSA-N 405.370 1.962 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286347154 IZAPFJCTRMBPFE-UHFFFAOYSA-N 421.465 1.722 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1286407718 OYLPULZAJCIOFM-IBGZPJMESA-N 416.485 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C)c1 1286419955 IVABKZVEUJFCTD-GOSISDBHSA-N 413.547 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCC(=O)NC2CCCCC2)CC1 1286487734 HYQHBGIQKSCORD-UHFFFAOYSA-N 400.527 1.391 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C2CCOCC2)C1 1286504807 QHAPTZQWKOEFRP-IAGOWNOFSA-N 403.552 1.849 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286703940 JEGISMZTKUOSNB-CQSZACIVSA-N 415.523 1.450 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)C[C@H]1C 1286795113 FNAVNLZJSMFMEL-WBVHZDCISA-N 424.505 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C)s2)C1 1286798384 KBFHHSPNQBCTBS-CQSZACIVSA-N 403.512 1.504 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1287222604 HWMBBQDRXHYGCF-OAHLLOKOSA-N 404.496 1.109 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)N(C)C 1287475593 XDEMXKSJWIRTIV-UHFFFAOYSA-N 424.553 1.938 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1CC(=O)OC(C)(C)C)c1cc[nH]n1 1300287417 BATNJSOPWWXQPH-CQSZACIVSA-N 422.482 1.806 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300476859 VIJWTXPTIRLDFC-INIZCTEOSA-N 412.519 1.936 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300496073 NMTODBICLKCOJD-HZPDHXFCSA-N 410.565 1.328 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1300496737 UMGXXTFSGBQJTG-KSZLIROESA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300547222 IPXPOMINTRMKPP-PKOBYXMFSA-N 409.465 1.686 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1nncn1C 1300664804 FNEDITJOGASEJM-UHFFFAOYSA-N 402.462 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2)CC1 1300722881 MZOAYQYOEIXRNA-GOSISDBHSA-N 406.490 1.243 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1300733227 IOEUYVQWVCBYLY-STQMWFEESA-N 403.599 1.196 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1300754735 GMJDKEAUGHYXBN-UHFFFAOYSA-N 411.539 1.553 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301001791 NIQLIVKSIIEIRN-NTDBWNAOSA-N 419.526 1.310 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1301150926 DRIHHHRUBSDONO-CABCVRRESA-N 409.556 1.497 30 10 HDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1302786623 UZSREXIZBDGONG-LPHOPBHVSA-N 405.376 1.773 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1312655248 CONPSYYXHDHRON-GOSISDBHSA-N 422.489 1.864 30 10 HDEE CC1(C)C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1312822837 GLRNKLLFQWFEOV-QGZVFWFLSA-N 420.535 1.779 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccncc1Cl 1316101521 LWRLXSVLGBILCN-OAHLLOKOSA-N 403.874 1.692 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1O 1316481126 ZLXHGLYGIVFONE-QAPCUYQASA-N 424.505 1.306 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCCCCO)C2 1316530838 KTRBONPYBDYPQV-UHFFFAOYSA-N 406.450 1.433 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)C1 1337693459 KGYNXIFNPFAMNH-KRWDZBQOSA-N 410.515 1.490 30 10 HDEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)CC1 1351937048 NHCXQHYWIXDZQM-UHFFFAOYSA-N 418.519 1.940 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cn2ccc(C(F)F)n2)c1 1356458345 UGHYPUPUCNYSJS-UHFFFAOYSA-N 402.401 1.694 30 10 HDEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358904846 NAROPYDZSZUOKA-GOSISDBHSA-N 414.554 1.866 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cnnn1 1359002551 DKWZIAXPZBNKLP-UHFFFAOYSA-N 402.466 1.872 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)CCCC)CC1 1359043792 IWICNFVTJGDCLX-UHFFFAOYSA-N 411.554 1.971 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1359296796 VDOKZYHCVZFAIV-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C=CCN(C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)[C@H]1CCS(=O)(=O)C1 1360055187 OLDVJTBBLTZRMA-NSHDSACASA-N 402.398 1.802 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3nc4n(c3C#N)CCS4)CC2=O)cc1 1360154514 ATUDPHMQCKUQGH-GFCCVEGCSA-N 410.459 1.810 30 10 HDEE CC1=C(C)CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1360883458 SOEVTSNLILZGCU-AWEZNQCLSA-N 404.496 1.948 30 10 HDEE CC(=O)N1CCC[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1436122905 DLQVZYYNAIUPKP-FUHWJXTLSA-N 411.462 1.138 30 10 HDEE COc1cccc2c1OCCC[C@@H]2NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1438966807 BYZCPDAHLICSTK-HNNXBMFYSA-N 415.471 1.764 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)Cn1nc(Br)c(Br)n1 1448580452 YTMWHHWGJIILLD-WPRPVWTQSA-N 408.094 1.901 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc3ncc(I)n3c2)C1 1455706880 VTENUYGSXREQMH-ZDUSSCGKSA-N 408.243 1.766 30 10 HDEE CC(C)[C@@H](NC(=O)c1sccc1CC#N)C(=O)N(C)Cc1nnc2n1CCC2 1459751592 GLBZBBVWFHZYMC-MRXNPFEDSA-N 400.508 1.765 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCOCC1 1461710887 KHGKNIRTTAMHNS-OALUTQOASA-N 414.502 1.639 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)CCc2c(C)nc(O)c(C#N)c2C)O1 1462967497 LVTHYRVLKOVARU-KFKAGJAMSA-N 403.479 1.630 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1463688946 BJGVAYCNUSRWBW-CYBMUJFWSA-N 417.325 1.964 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)cs1)C(N)=O 1464746440 CGUWXQOOQLGYPW-LSDHHAIUSA-N 409.581 1.734 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)c1 1464911807 ZRTBNWSHRQBDOS-WFTHSTBKSA-N 404.492 1.368 30 10 HDEE CCOC(=O)CC[C@@H]1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1466314297 HQIILFXPOXZOKZ-AWEZNQCLSA-N 408.455 1.275 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)cc2S(C)(=O)=O)n1 1466535527 LXFRBDOMFSLOEY-UHFFFAOYSA-N 404.492 1.909 30 10 HDEE CN1CCC2(CC1)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)Cc1ccccc12 1470630365 ABFWZVFJWNRTEK-UHFFFAOYSA-N 407.474 1.216 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1470643692 JPERNTNWMJDVFQ-CQSZACIVSA-N 401.529 1.340 30 10 HDEE COc1ccc(N2C[C@@H](NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2=O)cc1 1470757253 GATBEQPNPSBVGO-LPHOPBHVSA-N 421.457 1.930 30 10 HDEE CC[C@@H](CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)OC(C)(C)C 1471404016 NZIIKYXWCWKTMK-HNNXBMFYSA-N 404.515 1.800 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OC 1471893757 OEYCRVFJNOQEPX-IERDGZPVSA-N 401.463 1.776 30 10 HDEE C#CC(C)(C)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1475917474 HTNUCUUBTKKBSJ-UHFFFAOYSA-N 420.535 1.841 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 1476541362 IOJOIPOTGRQWDZ-QGZVFWFLSA-N 402.476 1.919 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(C)cc2)cc1 1477363085 QOPAXRWKHHQTKK-UHFFFAOYSA-N 401.488 1.785 30 10 HDEE C=CC[C@@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccncc1 1477934303 VATVVRCQYWXRSO-MSOLQXFVSA-N 409.556 1.953 30 10 HDEE CC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(OC)c1OC 1479153472 VLFPVTCRMLRADQ-HNNXBMFYSA-N 413.434 1.555 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCC2)CC1 1503821711 BLXHOVDLCWVZFH-UHFFFAOYSA-N 422.537 1.762 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)c(OC)c1 1504203763 UJSLVOWYVMTFLJ-GOSISDBHSA-N 424.505 1.953 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)c1 1504962802 AEOWVONHAXAVMS-KXBFYZLASA-N 405.478 1.810 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@H](C)C1 1507563358 GGXZBRVNQPVSRY-BZSNNMDCSA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1507622984 NKWITIOSHQLQJK-KRWDZBQOSA-N 416.551 1.538 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1507631936 VKWMRVUPKOAFAG-HNNXBMFYSA-N 423.564 1.016 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cnn(C)c1 1507646104 LFHPBZGFPVHCLL-LJQANCHMSA-N 400.490 1.815 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1507783269 UPOSBAMGEYMXND-YPMHNXCESA-N 406.288 1.302 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCN(C)C)CC1 1507907289 WUJDXPGTWMSSBI-UHFFFAOYSA-N 416.526 1.986 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507930858 JVCVTCNAEBMJCC-INIZCTEOSA-N 412.498 1.508 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1508157536 AFLDTSOITWXBOV-KBPBESRZSA-N 402.528 1.618 30 10 HDEE Cc1cnn(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)c1 1511419233 HVDRTCSRKIFJPO-QGZVFWFLSA-N 417.539 1.515 30 10 HDEE CO[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517759752 GERRGGKMHDVHBY-HNNXBMFYSA-N 405.466 1.363 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(F)c1 1518254560 FUTAGFHDMPBASZ-HNNXBMFYSA-N 402.430 1.341 30 10 HDEE CS(=O)(=O)N1CCCc2cc(C(=O)Nc3ncc4c(c3C#N)COCC4)ccc21 1525912637 BOBUJXQEMXJEJK-UHFFFAOYSA-N 412.471 1.990 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CSc1ccc(C(N)=O)cc1[N+](=O)[O-] 1527787263 JMTSITQDOFXJEO-UHFFFAOYSA-N 407.448 1.589 30 10 HDEE CO[C@@]1(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)CCS(=O)(=O)C1 1538275229 ZWYLSODXBWCCBO-LJQANCHMSA-N 402.476 1.397 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1ncn(C)n1 1539395511 CZMQHJGJKHMEFC-HNNXBMFYSA-N 413.457 1.820 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1539436250 OAYBMBMTQAGQAP-LJQANCHMSA-N 422.533 1.624 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)CC1 1539452689 YMMAOPPOQKWCMJ-LJQANCHMSA-N 424.505 1.070 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1539517416 NGAMZZWKCNWGHI-KRWDZBQOSA-N 415.567 1.599 30 10 HDEE Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1545877319 ZJHMBTDCIMRKLT-MRXNPFEDSA-N 406.439 1.677 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1546396239 BJNICYBWJIMIML-JLTOFOAXSA-N 417.489 1.967 30 10 HDEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1547024630 HKUPBXLSRVFWNN-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE COCC(=O)N1CCC2(CC1)C[C@H](C(N)=O)N(c1ccc(C#N)c(C(F)(F)F)c1)C2 1548379832 IUGQMYNQFIVLPX-MRXNPFEDSA-N 424.423 1.896 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N)C(F)(F)F 1554623046 JBQTUNZXOMKTOR-JHJVBQTASA-N 423.461 1.886 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)c1 1557727782 STTYWMMKKIBPNP-IBGZPJMESA-N 417.506 1.947 30 10 HDEE CN(CCCC(=O)NCC1(C#N)CCOCC1)C1=NS(=O)(=O)c2ccccc21 1558775783 FXJDQWNWCGBACK-UHFFFAOYSA-N 404.492 1.284 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccccc3OCC(F)(F)F)C2)c(=O)nc1O 1558805652 SGBJBWZJGAFAEW-UHFFFAOYSA-N 424.335 1.224 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3ccccc3CC#N)C2=O)c1 1561345242 GMZIANNDFGGZGI-SFHVURJKSA-N 415.471 1.854 30 10 HDEE Cc1ccc(-c2nc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)co2)cc1 1565330036 KORZJBOEHRWJDD-HNAYVOBHSA-N 400.460 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1565629931 MSHUKVCRHXUDPC-OHTQGHCMSA-N 406.483 1.666 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1583661861 PKFZHKOIEKKOHO-HNNXBMFYSA-N 400.447 1.256 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC(n2nncc2I)CC1 1584599970 DQTPBHPJZNOWSN-UHFFFAOYSA-N 418.235 1.556 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1588020437 NIOSMXWTEVWEHK-HOTGVXAUSA-N 405.499 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](CC)OC 1588124201 FUXDUJYGLZBNOB-MRXNPFEDSA-N 414.535 1.736 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1588124401 KOUDJSDEKGNFFA-MRXNPFEDSA-N 403.490 1.215 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOC1=O 1588162195 MVRDOMSAQOHCSD-UHFFFAOYSA-N 418.457 1.644 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccn(CC)c1=O 1588170545 IILIBWUYMVRGNP-OALUTQOASA-N 409.490 1.305 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccsc1 1588180367 DCRZOYJFMACTPI-OAHLLOKOSA-N 405.549 1.655 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(N(C)C)CCCC2)CC1 1594014448 RTMUQESSDLUQOR-MRXNPFEDSA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@H]1C 1595507041 UREMRSMAZGWYBK-CQSZACIVSA-N 401.467 1.490 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCN(CCC)C2)C1 1595743524 CFIXZGYIUOPCHW-RBUKOAKNSA-N 416.570 1.914 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1596792282 VJGGYHUKNIDJQY-UZLBHIALSA-N 416.530 1.676 30 10 HDEE Cc1nn(C)c(C)c1CN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1612457957 PYPJLXNZWYVKKB-UHFFFAOYSA-N 410.482 1.916 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1613558088 SANYIBCNLCIXLU-ZWKOTPCHSA-N 418.542 1.866 30 10 HDEE CN(C)c1ccc(N2CCC(NC(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1618648608 RYTAFVZWHRNNAL-UHFFFAOYSA-N 410.478 1.062 30 10 HDEE COCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1620081161 VLNRODYFNWUTNK-UHFFFAOYSA-N 418.523 1.673 30 10 HDEE Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1-c1ccn(C)n1 1622979416 GCBDGGOIXMELRI-OAHLLOKOSA-N 404.478 1.840 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cncc2nc(C(F)(F)F)n(C)c12 1623197173 CMKKVWNHBPMGJR-UHFFFAOYSA-N 406.372 1.869 30 10 HDEE N#Cc1c(CCCNC(=O)c2csc(CO)n2)nn(-c2ccc(F)cc2)c1N 1624379540 APEJQAFXPVWWCQ-UHFFFAOYSA-N 400.439 1.777 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccc(OC)c(OC)c1C)c1cc[nH]n1 1625446408 LZSMKZVEMHSISE-ZDUSSCGKSA-N 418.450 1.897 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1)C(=O)OC 1626188247 UMKBDAGABFLPBT-AWEZNQCLSA-N 400.884 1.665 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(F)(F)F)C(=O)C3)n[nH]2)c1C 1627071713 DMKZVULOHUNBHG-UHFFFAOYSA-N 410.400 1.923 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)CC2)nc1 1629976852 YSMRSBACTPKENQ-UHFFFAOYSA-N 414.487 1.776 30 10 HDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1630284656 SXFSRACGSMZSAO-YDDNPURISA-N 420.554 1.687 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1632078975 UQDQKRBDFKHDGT-IBGZPJMESA-N 404.532 1.467 30 10 HDEE C=CC1(CC(=O)N2CCC(O)(c3ncnn3C)CC2)CN(C(=O)OC(C)(C)C)C1 1633646924 RIBWEDQXZITMLW-UHFFFAOYSA-N 405.499 1.438 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)c1 1634052792 JONFJMKJPPSKIZ-UHFFFAOYSA-N 406.464 1.508 30 10 HDEE CN(C)[C@H](CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(F)(F)F 1634108974 UAZNWAITTWJTKO-RWMBFGLXSA-N 407.437 1.927 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)C(=O)NCC3)s1 1638241222 OTIBKXBMHTVYDI-UHFFFAOYSA-N 419.528 1.357 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(c4ncc[nH]4)CC3)C2)C1 1639827446 UVTRRJSXFCSHPH-TZQQIIETSA-N 414.510 1.845 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(Cc4cncs4)CC3)CC2)o1 1642015026 HGRNTIOLUBBBCW-UHFFFAOYSA-N 400.508 1.872 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1OC 1644133642 FWZYIMAXAWJGSX-LBPRGKRZSA-N 400.435 1.012 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OCC 1644563526 JFSYFYWUIWMKPA-HZPDHXFCSA-N 402.447 1.825 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1nn(C)cc1I 1644588067 WGIVCMSYFULBBD-ZDUSSCGKSA-N 410.215 1.702 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCN(C)C(=O)OC(C)(C)C)C(C)C)C1=O 1644979546 MTKCDUISMHKLFE-UHFFFAOYSA-N 410.471 1.067 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](C(=O)OCC)c2cccnc2)cc1 1645220896 SRQPAKSCTJSGCD-SFHVURJKSA-N 415.471 1.370 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCC#C[C@@H]2CCCCO2)c1 1647804590 MWYYTSWWTUQUMO-LBPRGKRZSA-N 415.309 1.660 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)cc1 1648078777 OZCTYWFSZOYTLL-UHFFFAOYSA-N 407.492 1.337 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)c1 1651156832 QRXKURREBDAONS-UHFFFAOYSA-N 412.475 1.268 30 10 HDEE N#C[C@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1654976004 ZVMVVGWRBTTZEK-IINYFYTJSA-N 400.254 1.727 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](C(=O)NCc3ccccc3)C2)c1 1659134204 QDOBNCPGBGIOKK-LJQANCHMSA-N 404.470 1.954 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)OC 1663618291 SWWNCYYOHNOXOC-ZDUSSCGKSA-N 424.397 1.001 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC(c2nnc(N)o2)CC1 1664906768 GMWFOPDTVTXDPI-UHFFFAOYSA-N 412.269 1.854 30 10 HDEE C=CC[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1668560449 TXMOUHOHKITYDD-ZWKOTPCHSA-N 400.527 1.890 30 10 HDEE C=CCn1cc(CNS(=O)(=O)C2CCN(C(=O)OCc3ccccc3)CC2)nn1 1669875225 LQHPTWNBBDMMQX-UHFFFAOYSA-N 419.507 1.685 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@](CO)(COC)C2)c(C#N)cn1CCOC 1670021547 DMVOMNRNPXRQCQ-IBGZPJMESA-N 408.455 1.046 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681517074 XQWCZGVHCBZTPU-RHSMWYFYSA-N 404.492 1.272 30 10 HDEE N#C[C@]12CN(C(=O)NCC(F)(F)c3cc(F)cc(F)c3)C[C@H]1CS(=O)(=O)C2 1683791838 VCZMTXFCJXQHOF-XHDPSFHLSA-N 405.373 1.636 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)CC1 1683824026 ZAVKMJLBXSFFGF-QAQDUYKDSA-N 404.536 1.618 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1689827004 YFVDLUCCWIOJGH-YQQAZPJKSA-N 408.572 1.363 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689833647 OCIWWTQNQHLLRM-SCLBCKFNSA-N 408.911 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1689847755 HGUXUBMYXJVKLG-ZBFHGGJFSA-N 412.494 1.722 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689994229 UMHPBYHHXKMFAT-MSOLQXFVSA-N 415.519 1.070 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689994497 ZHLWMEDZERUCJX-FXAWDEMLSA-N 406.552 1.672 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1690126200 VMISTNPCLCPTTK-UHFFFAOYSA-N 404.522 1.861 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1690490254 UKOOCPDRSYOXRZ-QGZVFWFLSA-N 400.527 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC2)CC1 1690731295 HIERMLFMZDNHEJ-QGZVFWFLSA-N 409.556 1.405 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCOC1 1690997519 LMVJBARSPHKNEY-HOTGVXAUSA-N 407.482 1.943 30 10 HDEE CC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1693924659 SWENBZGCEQKCPF-YLJYHZDGSA-N 415.567 1.971 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1698303033 BFUJUHIZVXHGIL-IBGZPJMESA-N 420.514 1.921 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1705490908 TVJVJBMEIDULHC-HNNXBMFYSA-N 421.505 1.565 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705515790 MMAPAUWAILCJQL-IRXDYDNUSA-N 414.510 1.796 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705560424 GUGCJSDTEKOAFK-PBHICJAKSA-N 406.483 1.820 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705565552 VRNMKQIEBVAKPY-SFHVURJKSA-N 422.514 1.605 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1705611300 XNGWEIMHPMQXOZ-UHFFFAOYSA-N 403.508 1.048 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cccn2)CC1 1705633914 BQTYCVWLRCOWGB-UHFFFAOYSA-N 420.477 1.895 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCN(C)C(C)C)CC1 1705640353 OJBZTPXUBXFNTR-OAQYLSRUSA-N 424.549 1.886 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@H](COC)OC)CC1 1705645906 JDJAMEHTIDREMZ-IBGZPJMESA-N 411.506 1.572 30 10 HDEE CC(C)c1nnc(N(C[C@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706288078 PRXJIEKKPLBHCW-UDJKBAMHSA-N 414.510 1.933 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1710897500 CYSWPHXBTVUCTP-HUUCEWRRSA-N 402.524 1.991 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@H]1COCCO1 1711073391 WLZXFBMCHBQKBO-IBGZPJMESA-N 424.505 1.828 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC(N)=O)CC2)o1 1712881476 VIHDZVDSPTVZAW-UHFFFAOYSA-N 411.466 1.119 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722308104 GENISJFJTHZCKK-ULQDDVLXSA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1722348314 WAHJRLQKMQRZEM-UHFFFAOYSA-N 404.452 1.024 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1 1722406911 BHHHFTXSNYDBIP-OAQYLSRUSA-N 400.479 1.963 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CC(=O)NCC(F)F 1722420009 FICWHWHELIMSND-OAHLLOKOSA-N 421.423 1.942 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722459861 SLORZAWCXDXHRZ-SQGPQFPESA-N 406.552 1.923 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722462762 OWSOEXHKHXVCPV-OAHLLOKOSA-N 405.549 1.248 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1 1722500015 GLLQJTRVRYTQPG-AWEZNQCLSA-N 420.539 1.438 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722523560 YXEIRGBOHPRBHX-IAGOWNOFSA-N 409.556 1.753 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)c1nccs1 1722692429 LTZTZEKZFKOBQF-CYBMUJFWSA-N 405.528 1.415 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722862310 BICRKHAOLIGMQB-KGLIPLIRSA-N 418.523 1.563 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCO[C@@H]1CCOC1 1726408984 CQUOIIKEDLKLSV-OAQYLSRUSA-N 410.522 1.976 30 10 HDEE COc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCCNS(C)(=O)=O)c1 1730213682 BOVWPZNYRJIQOL-CQSZACIVSA-N 406.512 1.631 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1731000399 QURGWUHGSFITEZ-PBHICJAKSA-N 419.507 1.698 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)Cc1ccccc1 1740599697 CJWJGKLCQPBAIZ-JOCHJYFZSA-N 411.506 1.658 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740624508 JKURTXOIINNEDD-MSOLQXFVSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCOC1 1740629717 XFJLWYCZHYDYPD-QFIPXVFZSA-N 407.474 1.371 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCn1c(C)nc2ccccc21 1740629778 ZMICBJIDNTZDCS-UHFFFAOYSA-N 403.490 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1 1740657117 PYNMBPILMOVIMX-DLBZAZTESA-N 406.577 1.929 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)CC 1740663002 UVHANPKZDHTDCP-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC=CCO1 1740681083 BFJKNDKRUCKGBE-IBGZPJMESA-N 420.477 1.352 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCc2noc(CC)n2)CC1 1740708537 SNMCKRYNCLTRRQ-UHFFFAOYSA-N 411.510 1.385 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740808937 CVGPLQGDPXIASE-QWHCGFSZSA-N 409.874 1.998 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1740900270 OILCBHLSZRKQAR-HNNXBMFYSA-N 422.530 1.733 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C(C)(C)C1 1740951830 OSTAYEGLEANGKK-KBPBESRZSA-N 412.560 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CC=CCC1 1740990769 FNBMXRMIPGTASV-HOTGVXAUSA-N 407.540 1.623 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1742139671 RAANSUMZUVGSGF-LJQANCHMSA-N 406.494 1.830 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1747998953 CTYYVJQTDMCKRB-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1748771050 GVHIPOIFFFXZBQ-KNQAVFIVSA-N 418.586 1.273 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1748791620 XYADJJWHBBMHOI-OAHLLOKOSA-N 404.492 1.315 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCOC(C)(C)C1 1748965814 XLQPPHLLELUCAB-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)CC)CC1 1749016923 QCHWOPVFCHOFDV-JOCHJYFZSA-N 410.522 1.391 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1749047599 AGJJXCZLHPQLED-AWEZNQCLSA-N 416.555 1.474 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccon1 1749118489 GRPMJXNZCMKVBG-LZWOXQAQSA-N 424.527 1.494 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749640273 KEUCHADMRDJVOK-UHFFFAOYSA-N 414.535 1.919 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(OCC(F)(F)F)c1 1760176469 MBIGFKDGGBNADT-UHFFFAOYSA-N 422.411 1.854 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1760245744 DDORDCPWPPSKEO-KRWDZBQOSA-N 410.478 1.328 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760560041 XPVBBRISTPPSAP-IBGZPJMESA-N 404.540 1.150 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760680911 RRMYKHAQICHOPO-ZWKOTPCHSA-N 401.515 1.222 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1760696874 UYOSGMYBUIULMV-OAGGEKHMSA-N 417.539 1.550 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1761257877 CTIPSSGJXGWPMF-UHFFFAOYSA-N 410.478 1.981 30 10 HDEE CCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1762635491 HRWXNFSGBFXUMW-LIRRHRJNSA-N 420.514 1.941 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCOC)CCOC1 1765914635 ZBVSFMXVKWXRJE-RXVVDRJESA-N 418.542 1.533 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1767273540 CCHHVJNVCZCNHA-UHFFFAOYSA-N 413.450 1.865 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1767749589 TUUIZGQEPJQBJM-UHFFFAOYSA-N 423.477 1.962 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCc2ccco2)C1 1770726817 AFEINXIPLKYWRB-HNAYVOBHSA-N 402.430 1.871 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1C[C@H](F)C1 1771112018 DCRKQXGKXQEWBE-JYJNAYRXSA-N 413.519 1.685 30 10 HDEE CON(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1771321339 XSAMZESIWVBQFT-ZCXUNETKSA-N 416.413 1.520 30 10 HDEE C[C@H](C(=O)NCC1(C#N)CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1853042156 JUPPHVGBNJKTPO-LLVKDONJSA-N 405.398 1.699 30 10 HDEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1853402018 YGWWFEKJONJUCJ-AWEZNQCLSA-N 419.445 1.868 30 10 HDEE NC(=NOCCC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1)c1ccc(F)cc1 1853422092 ZORCPLMHJPCDLC-UHFFFAOYSA-N 416.428 1.976 30 10 HDEE CC(C)(C)C(=NOCCN1CCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853442839 WWJGVSIXMMXTHM-UHFFFAOYSA-N 408.524 1.932 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CCn3cncn3)C(=O)C23CCCC3)c(F)c1 1853676371 JHGIEEQERXAOIW-UHFFFAOYSA-N 410.453 1.863 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1=O 1853681938 FNDHILIBISORHJ-MOPGFXCFSA-N 407.474 1.480 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(Cc3ncon3)c3ccccc32)CC1=O 1854062098 AIKOQPIBJOGAHQ-CABCVRRESA-N 409.446 1.763 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCN(Cc4ccccn4)CC3)C2=O)ccn1 1854153831 RWHYTNUUJGZZEU-FQEVSTJZSA-N 404.474 1.297 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCCC#N)[C@H](C)C2=O)cc1 1854281792 VIPQDAQPTPYETM-MRXNPFEDSA-N 421.519 1.612 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCCC#N)[C@H](C)C2=O)cc1 1854326676 DQKOPUAWXGJYLV-MRXNPFEDSA-N 420.535 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)C1 1855075854 UISCIZAJYRLSDA-DLBZAZTESA-N 416.522 1.997 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2C[C@@H](CN(C)CCC#N)CCC2=O)c1C 1855474436 SHZNGWUKGKSJNE-MRXNPFEDSA-N 410.478 1.809 30 10 HDEE C=CCCN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)C1 1855546217 OEPBYSHIBOVJBK-UHFFFAOYSA-N 418.519 1.997 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)C3CC(F)(F)C3)C2)CC1 1855910280 BVKHEOVQWXCVGI-CQSZACIVSA-N 403.433 1.496 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)C1(C)C 1856395342 OQBZMEFXJGZFLH-KRWDZBQOSA-N 423.510 1.614 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1856428079 IOLIHEPVWGJGDX-RBUKOAKNSA-N 417.531 1.516 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1C#N 1856547987 GRSJGJQZLPYTFI-FQEVSTJZSA-N 408.502 1.595 30 10 HDEE Cc1cc(CCN2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)no1 1856838129 DUENXELYVZOTFC-HXUWFJFHSA-N 407.474 1.456 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4ncccn4)C3=O)CC2)c1 1857009351 SSQQWQYHNTWAKD-QGZVFWFLSA-N 406.446 1.275 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)cc1 1857375696 VUTNQCNRIWMLIS-IBGZPJMESA-N 402.454 1.782 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3=O)c2n1 1857403354 AKGHBHWICSSOMJ-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE C=CCn1cc(O[C@@H](C)C(=O)c2ccc3c(c2)N(C)C(=O)CO3)c(=O)cc1C(=O)O 1857890237 NEWPYSGWLZBIPR-LBPRGKRZSA-N 412.398 1.738 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858311986 GSFNOWZEERNREL-GJZGRUSLSA-N 408.380 1.442 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccccc3F)c(=O)cc2O)c1C#N 1859647687 DABRWOSFCRYOPL-UHFFFAOYSA-N 412.333 1.889 30 10 HDEE O=C(/C=C/c1ccc([N+](=O)[O-])s1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860636700 NOAZIVCAYXDFQH-DUXPYHPUSA-N 417.403 1.891 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206061 CPOKCFRYNRWTCT-UHOSZYNNSA-N 405.926 1.816 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N2CCC(O)CC2)=C(N)Oc2c1c(C)nn2C 1865227375 IHLOVCQAXWIVJT-LJQANCHMSA-N 424.501 1.971 30 10 HDEE CCOC(=O)CN(C)C(=O)[C@H](C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868781898 BVBIGNOAVFCPEU-GOEBONIOSA-N 420.535 1.551 30 10 HDEE N#Cc1nnn(-c2ccc(I)cc2)c1NS(=O)(=O)C1CC1 1870098979 IHVGPBLONJJDRD-UHFFFAOYSA-N 415.216 1.648 30 10 HDEE C#CCOc1cn(CCCCc2ccccc2)c(CN2CCN(CCO)CC2)cc1=O 1870560271 OMGCEODJGWSGRB-UHFFFAOYSA-N 423.557 1.993 30 10 HDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCc3cnc[nH]3)ncnc21 1875230294 SKEKWFHZNVAHBE-UHFFFAOYSA-N 408.510 1.773 30 10 HDEE O=C1c2ccccc2C(=O)N1CCOS(=O)(=O)C[C@@H](O)COCc1ccccc1 1923787987 ZFYUEKMXZDDJCX-INIZCTEOSA-N 419.455 1.207 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N=c2nc[nH]cc2C#N)CCN(Cc2ccccc2)C1 2013648641 NNDOKPPFEYGKRS-QFIPXVFZSA-N 422.489 1.878 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC[C@](C#N)(C2CC2)C1 2108227325 GEURNNAOUSNDQJ-WOJBJXKFSA-N 419.478 1.966 30 10 HDEE Cc1csc(CNC(=O)C(C)(C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2157018351 HRIHKIOXAIIHGI-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174780665 XAUFCFYMNBJMEP-KBPBESRZSA-N 405.492 1.574 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180900405 KJTALFFRCIRMTJ-JTQLQIEISA-N 416.887 1.201 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@@H](CS(N)(=O)=O)C1 2181112193 XSKYHQVGBAPMLB-KGLIPLIRSA-N 402.517 1.101 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@](C)(CN)CS(=O)(=O)CC 2194762509 RWMWOFZMPOVTFJ-IBGZPJMESA-N 401.573 1.473 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2243420863 ALQQBNYHZVIXME-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243493018 QBLLOFMBXJLXRC-NWDGAFQWSA-N 404.276 1.171 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247827792 KKBUZUVGISGPGN-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 2247837697 WTSZNCSHOHBTMZ-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CN(C1CC(O)C1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267358095 XCAHJVBYQZNNSM-UHFFFAOYSA-N 407.750 1.845 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2267710484 WNPSXTUOVKKDIC-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE C#CCN(C(=O)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2280423299 HZXAZPSUHDIMIW-RDTXWAMCSA-N 402.488 1.375 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2281810860 VRDFSTASTBJVGI-LLVKDONJSA-N 401.721 1.802 30 10 HDEE Cc1cc(S(=O)(=O)NC2(C(N)=O)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282306620 PLHVOHQDFQCMQH-UHFFFAOYSA-N 400.331 1.042 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](N)C[C@@H]1C 2282321012 QNDAHIGDLLTXJF-WCQYABFASA-N 400.375 1.856 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282328631 AIVYEMBEQSCHHI-CQSZACIVSA-N 400.375 1.762 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1CO 2282334057 WQFKKYOPBLCJHA-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC[C@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCCN1 2282340525 HDLDISOSDLFREK-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1COCCO1 2282348249 JCGBZOLRGSUXKR-NEPJUHHUSA-N 403.331 1.130 30 10 HDEE C[C@@H](COC(F)F)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282511182 KOHICXVVOOWOTR-VIFPVBQESA-N 412.289 1.489 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CCO)C(F)F 2282835927 CHDVUEPLTYTAIV-SNVBAGLBSA-N 411.301 1.650 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@]3(C)CO)c2)OC1(C)C 2282853279 APJGDXZZTLRTED-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CCC[C@@]1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282866485 KLHLBUSFBPYHKG-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE COC1(C(=O)O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2284381855 NIAAARAKVSMCBA-UHFFFAOYSA-N 401.677 1.626 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400369 VSQWFCOBOREJKF-MRXNPFEDSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]2(C(=O)O)CC2(C)C)OC1(C)C 2284402269 HYQXYFCQPWWUFU-INIZCTEOSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3(C(=O)O)CCCC3)c2)OC1(C)C 2284408852 BSXBSORQNIHFHQ-UHFFFAOYSA-N 401.315 1.723 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CC[C@@H](C(=O)O)C3)c2)OC1(C)C 2284410780 WNLHSPBKJVHDJF-ZYHUDNBSSA-N 401.315 1.579 30 10 HDEE CCN[C@@H](C#Cc1nccs1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363533337 JOBZQXFIHVBILC-GJZGRUSLSA-N 413.565 1.897 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCN(C)C(=O)OC(C)(C)C 2365202190 NARZBNBKKDSEQL-HNAYVOBHSA-N 404.573 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@@]2(N)C#CC(C)(C)S(C)(=O)=O 2365254681 QGXQLRWYSBUQDA-CSVIQDERSA-N 400.541 1.460 30 10 HDEE CO[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367797262 UFBRTUNQMBIYCM-BEFAXECRSA-N 401.525 1.734 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CC)(C(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2375780646 KTBHFNKGWUMAMG-HBUWYVDXSA-N 404.529 1.808 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 48567829 KJABKFYCTVZFJT-CYBMUJFWSA-N 403.241 1.554 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(OC)c1 238879847 OZCPZVAEXOGQLQ-CQSZACIVSA-N 404.448 1.598 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccn2)C(=O)OCC)c1 428416749 AZADXSKOIKVFIH-SFHVURJKSA-N 417.487 1.450 30 10 HDEE COc1cc(CNC(=O)NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)ccc1C#N 460344600 BXVLUZKUZIGTCI-OAQYLSRUSA-N 407.430 1.621 30 10 HDEE Cn1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C2CC2)n1 463808128 CWNKNYSFOWJDDX-UHFFFAOYSA-N 414.491 1.708 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)N1CCC(Oc3ccc(C#N)cc3)CC1)CC2 466933348 PTWFZGTUFBQINW-MRXNPFEDSA-N 410.478 1.864 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 490225224 QLDJOVUKMUURLW-UYAOXDASSA-N 421.492 1.339 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 502538943 GWKYVIRBCUGNES-HXUWFJFHSA-N 421.519 1.781 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)CCC(=O)N(CCC#N)c1ccccc1 506675175 ZZCRPNIJJYNVGJ-AEFFLSMTSA-N 420.535 1.548 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@]2(CCOC2)C1 508809431 LXTDDMZXWBNICP-NRFANRHFSA-N 408.462 1.374 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 509932567 CYBMVHMRVQNKMO-CQSZACIVSA-N 414.915 1.342 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 518059916 ZOAGIYYLQOJOQH-UHFFFAOYSA-N 422.466 1.717 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N3CCC(C)CC3)cc21 526842119 NGADRJOVXKQCQJ-GDLZYMKVSA-N 418.515 1.788 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542998449 PJIHYCDMRMDPAW-UHFFFAOYSA-N 411.871 1.292 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H](C)n2cnc(C#N)n2)cc(OC)c(OC)c1OC 544594943 ZICYSMSVILBRQH-JTQLQIEISA-N 403.395 1.552 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cncc(Br)c3)CC2)n1 544842965 QIHKYNMVKIQIFP-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 556935654 GGGBVSLVDDFKPI-UHFFFAOYSA-N 401.438 1.647 30 10 HDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 571706409 HPUWIHNNLSXNIC-UHFFFAOYSA-N 413.865 1.580 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@@H]34)C2=O)nc1 581688397 ZSGDUFBDBCZVTG-OJOVYZNWSA-N 414.487 1.474 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nnc2n1CCCCC2 603557931 VXICMHPKOVLYBK-AWEZNQCLSA-N 416.507 1.687 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccsc2)N(CC)CC)CC1 604171237 GFGFFANRLKTEFX-GOSISDBHSA-N 407.584 1.760 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCc4ccc(S(N)(=O)=O)cc43)cc2C1=O 605523110 STPNRVYXFSCKCW-UHFFFAOYSA-N 411.439 1.319 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 670195231 GOTPOZPPSGNCQF-INIZCTEOSA-N 421.505 1.873 30 10 HDEE COC1=CC(=NN=C2C=CC(N(C)C)=CC2=O)C(C)=CC1=NN=c1n(C)ccn1C 725237744 PPKGUWKCMXXOTF-UHFFFAOYSA-N 407.478 1.492 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(I)cc2)CCN1C1CC1 732669182 HXYILACIQFYAKW-CYBMUJFWSA-N 417.272 1.652 30 10 HDEE CC(C)S(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732894730 NGSIRIRGDZHDMD-SFHVURJKSA-N 418.519 1.147 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 733201452 KPTWHCOZCPTAQC-MRXNPFEDSA-N 408.474 1.988 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(c2ccc(C(C)C)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 741674481 FCEXIZLLUMHFQD-MOPGFXCFSA-N 402.516 1.812 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)cc1 746572844 YJDKNBXMGVXAJI-GOSISDBHSA-N 407.426 1.728 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC[C@@]2(CCO)CCOC2)cc1 762214577 QDWCJVHBWSVSRZ-YQPBSLOJSA-N 424.523 1.410 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 763996870 GGDMUEFQWBIAID-KRWDZBQOSA-N 420.554 1.470 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 764033393 MPEVEWFJUBDAOW-QGZVFWFLSA-N 416.459 1.535 30 10 HDEE C#CCN(C(=O)NCc1ccnc(OCc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 774167255 RJIWFCXNZARKKC-IBGZPJMESA-N 413.499 1.993 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 774195863 URKJXJZLGUIQIY-UXHICEINSA-N 403.548 1.873 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C2CC2)C1 777378608 ZBMMBISUDBTWKG-IRXDYDNUSA-N 405.520 1.777 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 780180194 PCWBIDFBOIMGSB-IBGZPJMESA-N 424.475 1.833 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1 780214415 AXJVUNFUMANOQX-SFHVURJKSA-N 403.341 1.168 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2CN2CCOCC2)cc1C#N 785445343 WVPXRVMJUHBGRJ-UHFFFAOYSA-N 422.485 1.332 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)n1 788613056 WBKGMGSXQQUPAX-UHFFFAOYSA-N 405.480 1.105 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2cccc(S(=O)(=O)CC)c2)n1 788819137 ADXQEFKRGLQUAX-UHFFFAOYSA-N 403.504 1.528 30 10 HDEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1OC 790193969 DZDOYLRWGHGHIR-ZDUSSCGKSA-N 413.883 1.496 30 10 HDEE N#Cc1ccc(COC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1F 791402743 WUBKBPHWSXRADN-KRWDZBQOSA-N 409.373 1.671 30 10 HDEE C=CCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn(CCC)c2)c1=O 794579210 UOBVELWBZTYJLY-INIZCTEOSA-N 412.515 1.201 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)C2=O)CC1 799129442 QFOJOGWAEOAANE-VCFUNXJFSA-N 420.517 1.779 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 800779285 MPPAOOYIZRBPED-ZDUSSCGKSA-N 413.873 1.711 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(OC)c2C)c1=O 806611007 HATIVNVMTNQTEU-UHFFFAOYSA-N 422.506 1.741 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1)c1ccc(F)cc1 812937346 YKZYBIKILMXYOT-MSOLQXFVSA-N 411.499 1.582 30 10 HDEE CNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 813561481 JHVMAVAHLMTZDM-GOEBONIOSA-N 419.551 1.129 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)NCc3ccco3)n2N)cc1O 1084627941 BUCOXQXQWWHCAU-UHFFFAOYSA-N 417.451 1.154 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1132695124 OKPMAGZGCHPYFC-INIZCTEOSA-N 410.517 1.868 30 10 HDEE C=CC1(CC(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)CN(C(=O)OC(C)(C)C)C1 1141971855 UFIBELCNPBUFBE-HUUCEWRRSA-N 414.524 1.214 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)c1 1143574236 ZHXOKGKTOZTDEB-LJQANCHMSA-N 420.531 1.286 30 10 HDEE CCc1ccc(C#CC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc1 1147641019 HEZJAQQLGAVIEI-QFIPXVFZSA-N 402.491 1.715 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CN(C)[C@@H]3CCC[C@H]3O)c(C#N)c2N)cc1 1148732106 PSQNRAFHUAPFBU-WOJBJXKFSA-N 410.522 1.529 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1 1152972160 ALQANOQDRQDAFX-UHFFFAOYSA-N 407.561 1.703 30 10 HDEE C#CCOCCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 1164583955 MAILSAHUAABTNM-UHFFFAOYSA-N 409.537 1.431 30 10 HDEE C#CCC1(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1178169062 ICOGTRDVECIFGP-OAHLLOKOSA-N 414.524 1.099 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)CC(=O)Nc1sccc1C#N 1194664650 HSXVCFIOWRLBGP-UHFFFAOYSA-N 407.521 1.274 30 10 HDEE CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)Cc2cccnc21 1233853723 QVHNIXXHNDGXIH-JKSUJKDBSA-N 400.483 1.802 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1252958876 CYFBIUCFFJSHOG-UHFFFAOYSA-N 418.563 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1286276654 YCZLDJKGCGBIJF-ULQDDVLXSA-N 410.588 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1(OCCOC)CCOCC1 1286299273 CDHLYKCNYVHKHT-GOSISDBHSA-N 413.522 1.934 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1286323887 JUHIZRYJABLWNI-MSOLQXFVSA-N 404.536 1.602 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286335955 OCWXIEZVQFUZNV-JOCHJYFZSA-N 416.570 1.911 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286354677 RMTPMZYOOWEZDC-KRWDZBQOSA-N 402.524 1.389 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1286394119 NHKGBSARRZXOES-LJQANCHMSA-N 417.579 1.824 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC1CC1 1286424440 DAKUVCWEYLGESV-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 1286470040 RAEJMRHQOYRFDB-GOSISDBHSA-N 412.513 1.640 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286559718 YBFLLEIQXFSYHB-WIYYLYMNSA-N 418.586 1.716 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286593417 MMVIVENEGAAQGE-KLAILNCOSA-N 409.556 1.640 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1286773039 HQRLHHWWIBPJIN-INIZCTEOSA-N 420.514 1.346 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCC1 1286823643 PBNFIWBHJRTEKC-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286828679 PWJYHMVLFXJTEQ-UKRRQHHQSA-N 404.496 1.015 30 10 HDEE CN(Cc1cnccn1)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1298408019 GRKQQOHAMQSCPM-HNENSFHCSA-N 424.509 1.820 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300367835 KEBQQLNSKSWOQM-KRWDZBQOSA-N 405.506 1.987 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1300778335 SNTJIOHJUXUXHK-LJQANCHMSA-N 423.539 1.185 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)CC1 1301106765 WLCDQKXEDAUTRO-CQSZACIVSA-N 420.539 1.743 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1301294004 KFOHAOLAFIMEDT-UZLBHIALSA-N 402.520 1.636 30 10 HDEE COc1cc(CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)sn1 1304120134 PNDUXKVOMIMTKZ-UHFFFAOYSA-N 408.505 1.629 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)cs1 1304669305 FOAVQEJWOCYMIQ-SFHVURJKSA-N 415.567 1.973 30 10 HDEE Cc1noc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)n1 1304895055 DTXSMFRWENDJGJ-SFHVURJKSA-N 402.434 1.167 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H](CNS(=O)(=O)C2CC2)C1 1307820677 MYCUASVYXBSRLD-MRXNPFEDSA-N 415.515 1.080 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1309494716 VDVFFSZWIKJZFF-QZTJIDSGSA-N 412.508 1.271 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCOCC1 1309701327 KBQNFEQPJSXOHU-GOSISDBHSA-N 414.549 1.424 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)c1ccccc1 1316208302 CCKQAUOIZDZGCI-IEBWSBKVSA-N 414.510 1.867 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC(=O)NCC1CC1 1316281147 GSXGYNKYBDXOGS-WMZOPIPTSA-N 416.526 1.658 30 10 HDEE C[C@@H](CCNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)N(C)C(=O)OC(C)(C)C 1338931081 CXMQSYBRDCUIHF-ZGTROFRASA-N 409.487 1.458 30 10 HDEE C#CCC1(C(=O)N[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@H]2C)CCCCC1 1342340061 GUXKBCYOIYZTDO-LCWAXJCOSA-N 402.535 1.975 30 10 HDEE CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1349784882 AZKVKPUUBGOJRA-CABCVRRESA-N 401.529 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1358872320 SJTRVFHSVAPIRT-NUWOQIAWSA-N 411.572 1.942 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)[C@@H](CC)C1 1358927730 IAPRTIHDYGRFGI-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1358929188 UCFVWAHSNWZWFH-GOSISDBHSA-N 416.526 1.507 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358967714 QOKWSXIBGHQXJV-ZWKOTPCHSA-N 423.583 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)CCOC 1358984137 KFXHHCNNEWDEGU-OAQYLSRUSA-N 410.478 1.176 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1359040823 HCVDFQMGUYWMGM-QZTJIDSGSA-N 403.527 1.419 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC1COC(C)(C)OC1 1359055742 NZGPLYJAGKERMR-OAHLLOKOSA-N 407.540 1.431 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)CCCS(C)(=O)=O 1359056862 MUVVZFCUNCVMRR-OAHLLOKOSA-N 400.570 1.409 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)CCc1cnccn1 1359302034 VIVNVCKTVQYYDZ-UHFFFAOYSA-N 405.506 1.948 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1359357760 NIIGINDFJJJDNV-PKOBYXMFSA-N 421.505 1.400 30 10 HDEE CC(=O)N1CCC(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1359364322 ONUJDYGTZHGYNB-UHFFFAOYSA-N 408.510 1.438 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1360784515 GKKPPSCUCXSTPI-JTSKRJEESA-N 424.505 1.824 30 10 HDEE COc1cccc2c1OCCC[C@H]2NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1438966815 BYZCPDAHLICSTK-OAHLLOKOSA-N 415.471 1.764 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)cc1 1440736849 FXVBMMHCMOXMMP-UHFFFAOYSA-N 418.457 1.486 30 10 HDEE Cc1cn(C2CCOCC2)nc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1448853907 ZDPOHTSSMSUTHO-LJQANCHMSA-N 407.474 1.946 30 10 HDEE CO[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCOC1 1453214119 JOBVMPASMAGFHA-NVXWUHKLSA-N 423.535 1.453 30 10 HDEE N#CC[C@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1453303387 JGTGRONSJUBGEQ-OAHLLOKOSA-N 407.492 1.669 30 10 HDEE C#CC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CC1 1453838762 DLGCVLNFYLBPPR-UHFFFAOYSA-N 415.309 1.104 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(F)(F)C[C@H]3C(=O)OC)ccc2c1=O 1455245390 KIAZFGCCIOBLGX-ZDUSSCGKSA-N 409.414 1.894 30 10 HDEE C#CCN(C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H]1CCCc2ccccc21 1463008833 NGCWFACVQJNZOI-SFHVURJKSA-N 419.485 1.363 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CC(=O)N(Cc4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1463163893 QHMHXSRGBDUXKO-YZVOILCLSA-N 421.906 1.085 30 10 HDEE COC1(OC)CC(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1463470642 PDWZTEYFDAPRRI-UHFFFAOYSA-N 421.519 1.474 30 10 HDEE N#CC1(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC2(CC2)C1 1464259434 SRWGRVMHDVMKEJ-MRXNPFEDSA-N 403.504 1.844 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)cc1 1468071040 NIKASCSNCQBHQX-IRXDYDNUSA-N 410.517 1.556 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@H](c3ccccc3)[C@](F)(CO)C2)cc1 1468526182 LUBFROZKHKEXQY-TZIWHRDSSA-N 416.474 1.800 30 10 HDEE COC(=O)c1nc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)ccc1Cl 1469959106 KHRADRSZYBBQKG-UHFFFAOYSA-N 421.862 1.624 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H](CC#N)C2)cc1OCC 1470048968 DAYZKRWGBYKGKP-OAHLLOKOSA-N 409.508 1.915 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1470304772 WLANIVFCKSMTDV-JXFKEZNVSA-N 405.499 1.851 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1471524712 CGMVTUIWAWBRKC-IQJOONFLSA-N 411.245 1.472 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CC[C@H](O)C3)c2)c1 1472571063 AAIMVDSKEGARQX-SFHVURJKSA-N 414.487 1.042 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1501194173 CTKDEKGHDQIGQT-MRXNPFEDSA-N 405.462 1.748 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1)C1CC1 1503970267 FRDJWCJWQXTYTQ-PMACEKPBSA-N 424.505 1.583 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1COCCO1 1504884738 ATOVYMOITTYTCE-OAHLLOKOSA-N 406.874 1.775 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O 1507527595 KBQQORNBGKMDNM-LBPRGKRZSA-N 411.915 1.614 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1507619157 WZAKMKPPVBOVGG-UHFFFAOYSA-N 410.522 1.399 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507634563 ZBZCYONUBWVUNI-ZACQAIPSSA-N 408.524 1.183 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)CC1 1507808753 VDZPEOBTFBMGRF-NUJGCVRESA-N 407.515 1.310 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507842551 IYKNTNZJKDCZKW-GOSISDBHSA-N 400.483 1.274 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1507844438 JXVKDGAYSFBQPV-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507946412 RHPYHJVBWAICAT-MRXNPFEDSA-N 412.498 1.411 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CC2(C(N)=O)CCOCC2)C1 1508114598 DTHINNCCDILXIU-MRXNPFEDSA-N 415.494 1.910 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1508120859 BASHIAQRRDZGOO-IAGOWNOFSA-N 419.526 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1CSC 1508142310 SDPJWAJKZAPGEI-KBPBESRZSA-N 413.569 1.162 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CCO1 1512421137 QMYNAHADAABKCK-CJNGLKHVSA-N 409.450 1.030 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H](COC3CCC3)C(=O)OC)cc2C1=O 1535210894 VORYQYKFYQEZBJ-QGZVFWFLSA-N 400.431 1.651 30 10 HDEE N#CC[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(F)(F)F 1535465178 XNSFXGFYDCATMJ-AWEZNQCLSA-N 414.409 1.808 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)nn1 1536369570 ULUXFTBVODNBHR-UHFFFAOYSA-N 402.886 1.904 30 10 HDEE Cc1cc(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)nn1CCC#N 1537419485 ZQMRZTRKOLSHOF-UHFFFAOYSA-N 417.429 1.887 30 10 HDEE C#CCN(C(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1537469153 KZROCTMIYILJGZ-ZIAGYGMSSA-N 419.528 1.606 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539125455 ZLYZIOCLNSQQAW-QGZVFWFLSA-N 419.526 1.939 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1539134526 YYVMUQCWKGRLPK-UHFFFAOYSA-N 422.489 1.613 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CCC)CC1 1539428074 MSQMIRKCIOPUGZ-LJQANCHMSA-N 415.586 1.436 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(F)F)CC1 1539445933 KVIGWVRPCUEDNT-UHFFFAOYSA-N 406.437 1.806 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(COC)CCOCC1 1540057700 DTNQRVHWEXMERY-UHFFFAOYSA-N 424.509 1.986 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1540069090 HWOXOEYTFFSNSC-UHFFFAOYSA-N 414.491 1.793 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cncn2)nc1 1540174956 TWDKMBUVXKEBGR-UHFFFAOYSA-N 419.493 1.603 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1540187554 QQFQDJGMNVYKMG-LAUBAEHRSA-N 415.494 1.863 30 10 HDEE CC(=O)NCCCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1541097544 HKSQZDGIKZMWNN-FQEVSTJZSA-N 404.515 1.585 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(O)ncn2)CC1 1543136603 ALFACWCCPSWHCS-HNNXBMFYSA-N 402.252 1.967 30 10 HDEE COc1cccc(Cl)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1555028184 AXTAQTPIPIBNDQ-IUODEOHRSA-N 416.869 1.668 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCO[C@H]1C 1555559462 XCDACCMAWKRRGZ-HNAYVOBHSA-N 405.524 1.837 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)C(=O)OC 1556375679 PDGWUEFKRPTSIX-XJKSGUPXSA-N 422.482 1.496 30 10 HDEE N#Cc1ccccc1/C=C\C(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1557382570 BLZDCVCWOVQJEQ-KHPPLWFESA-N 410.499 1.750 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)CCCCOc3cccc(C#N)c3)CC2)CCOC1 1557561390 YJWWUOVTAYPLMF-JOCHJYFZSA-N 415.490 1.584 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1567338761 GHGRWBWCHBSMIJ-UHFFFAOYSA-N 424.466 1.860 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)c1 1583032096 RFVVZBNQTCVEGN-KRWDZBQOSA-N 419.434 1.637 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1583214724 XPKRBSSWSLKLJU-CQSZACIVSA-N 400.298 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCSC[C@H]3C#N)nn2)C1 1583725863 QKRKBXWAJTYVDX-ZIAGYGMSSA-N 406.512 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1587673005 JBKXVKATOXQTIO-INIZCTEOSA-N 413.478 1.182 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)cn2)cc1 1587769868 NJIKODKYQOVVEV-OALUTQOASA-N 402.414 1.712 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589544585 IWQJPXGIUJFCHM-NQIIRXRSSA-N 418.586 1.812 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(N)=O)C1 1589568524 KEFJBOCXGKEYTN-TXPKVOOTSA-N 416.526 1.083 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1589569357 OTUMBRYOVGBYLU-GJYPPUQNSA-N 416.526 1.049 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1593729167 HWDLFIIBWQJWEI-QGZVFWFLSA-N 414.514 1.312 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1594948662 JAMPVLFETLOAIX-INIZCTEOSA-N 403.508 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1595500643 AEXPVTOTJMONBG-NVXWUHKLSA-N 414.510 1.306 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1595583879 IBYQHRREPFUQGE-INIZCTEOSA-N 418.519 1.853 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)C1 1595723330 VHAWFHVBKZJDPW-IRXDYDNUSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1nc(O)c2sccc2n1 1595805596 RCEUOMPXAPWGLI-UHFFFAOYSA-N 422.536 1.788 30 10 HDEE CCc1nc(CCn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)no1 1613873887 CIMJTTADBZWLIE-HNNXBMFYSA-N 411.441 1.925 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@@H]2COCCO2)CCOC1 1616185952 LYVGTSLVHOEZAQ-YLJYHZDGSA-N 405.499 1.476 30 10 HDEE CN(C)CC1CCN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)CC1 1618056307 MBKMENBNDFWVTI-UHFFFAOYSA-N 410.478 1.237 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccn3)CC2)s1 1618156583 SPEUWCGAGSXZMI-UHFFFAOYSA-N 406.533 1.499 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CNC(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 1618179856 BRFQUHKHOYRUAY-UHFFFAOYSA-N 422.445 1.932 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1619368629 DKKLVEDVVKTYEH-GDBMZVCRSA-N 403.508 1.975 30 10 HDEE C#CCN(CC(=O)N1CCC2(CC1)OCCO2)C1CCN(C(=O)OC(C)(C)C)CC1 1620580111 LWBBAZUGBDXERK-UHFFFAOYSA-N 421.538 1.687 30 10 HDEE C[C@@]1(CCCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)NC(=O)NC1=O 1624572321 AJMHNVCGQKHGNI-JXFKEZNVSA-N 401.442 1.303 30 10 HDEE CC(=O)N1CCN(CCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1624594713 GZFKIDLYLUZWLU-UHFFFAOYSA-N 415.343 1.188 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cscn3)CC2)c1 1625625081 QTPTWZMACVEQMZ-UHFFFAOYSA-N 403.529 1.898 30 10 HDEE C=CCC1(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)CCOCC1 1627053518 XMQGPVFMMANILE-UHFFFAOYSA-N 406.571 1.056 30 10 HDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(=O)OC(C)(C)C 1627433832 NGNFZTFRTUMEIF-WMLDXEAASA-N 421.519 1.663 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1631078821 JQDYWVKUXLUUHD-YJBOKZPZSA-N 412.494 1.924 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@@H](Cc2ccccc2)C1 1631638309 MPDJFCQGNQBNDZ-APWZRJJASA-N 412.515 1.268 30 10 HDEE COc1ccc(CC(=O)N(C)[C@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882416 IMSHQLKZGZGNLL-IRXDYDNUSA-N 421.519 1.409 30 10 HDEE C#CCC1(O)CCN(C(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1633140358 ABFOEFAEIUCVGF-UHFFFAOYSA-N 405.495 1.909 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1ccncc1Br)c1cc[nH]n1 1633854844 SNCQGYATKFBELA-JTQLQIEISA-N 424.255 1.728 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1635343712 WFPHNJZBMWYDED-AWEZNQCLSA-N 408.524 1.200 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CCC2)[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 1635737149 HDESEHCYBNZVMN-INIZCTEOSA-N 404.511 1.998 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)c1 1638532173 VOMZCMBRCJVDLV-QGZVFWFLSA-N 412.511 1.961 30 10 HDEE C#CCC1(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCC1 1638992305 DAIUSNUYSREPCB-UHFFFAOYSA-N 405.520 1.509 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCC#C[C@H]3CCCCO3)CC2)cc1 1640380310 DPSFUGJLIYTGNZ-AXUYNXDZSA-N 411.502 1.589 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOc2cccc(Cl)c2)c1=O 1641325766 PDAUZPRMLZQOJI-UHFFFAOYSA-N 405.838 1.956 30 10 HDEE C=CC[C@]1(C(=O)NCC23COCCN2CCOC3)CCCN1C(=O)OC(C)(C)C 1641697201 PMKCANYDIPFTJU-OAQYLSRUSA-N 409.527 1.550 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CCO1 1641743397 PMGYMTTXQYIDKI-TYOLEZHBSA-N 407.438 1.994 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1cc(C#N)cc(N(C)C)c1 1642532402 GGPUFALZLICMOK-UHFFFAOYSA-N 420.466 1.562 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCN(C)CC1 1642675797 FTFMPPRCXMLGOX-CQSZACIVSA-N 402.923 1.255 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@H](O)CC4(CCOCC4)C3)CC2=O)cc1Cl 1643362876 CVCROGLKWUSFRW-NVXWUHKLSA-N 417.893 1.955 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1C[C@@H](N2CCCC2)C1 1643460204 UIWQJUVQZYVNBQ-SOLBZPMBSA-N 418.563 1.883 30 10 HDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 1645633119 XHPMQZCILDHIBF-BXAQKGHLSA-N 418.400 1.269 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1646202864 YRARKKUEYRJKMK-BPLDGKMQSA-N 417.491 1.623 30 10 HDEE C#CCOc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1646409776 XXJAFSRODLUMTM-INIZCTEOSA-N 413.474 1.649 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCCn1ccc(O)nc1=O 1647049578 HAVWULUYFLLBBL-UHFFFAOYSA-N 407.224 1.168 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(n2cc(C(N)=O)nn2)CC1 1647780592 HQTSTYIQPFCFLV-CQSZACIVSA-N 402.524 1.679 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CCO2 1653354813 DWORTDKOCRXRJZ-ZMYBRWDISA-N 407.492 1.417 30 10 HDEE COC(=O)c1ccc(F)c2c1CN(CCS(=O)(=O)c1ccc(C#N)cn1)CC2 1654251801 AIMHWJOHXFUMJY-UHFFFAOYSA-N 403.435 1.711 30 10 HDEE C=CCN(CCOC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1655199147 ULAPGFDWTGNYCQ-ZWKOTPCHSA-N 412.508 1.487 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)CC1 1659792043 ZNSHPSVDMUABBE-UHFFFAOYSA-N 417.491 1.576 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)c1 1664546786 YHZSEEWHKJKEPZ-QGZVFWFLSA-N 412.533 1.190 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)OCC 1665498216 YPENMZZORQHYAW-CQSZACIVSA-N 402.856 1.996 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Nc2ccnc(C#N)c2)CC1 1673535609 BQFXERGCAFMVPJ-UHFFFAOYSA-N 404.452 1.487 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 1677105808 RIILIRABJODXHD-MISYRCLQSA-N 406.571 1.868 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1682652793 IGUWWKQPOWASMN-KRWDZBQOSA-N 404.534 1.801 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1)C1CCOCC1 1682887150 HPJSVWCPXUTURK-FQEVSTJZSA-N 416.497 1.311 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 1685711126 PAESNOMUUQJCGC-CQSZACIVSA-N 421.519 1.331 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1686315516 QVQOUJLMGARMID-QFBILLFUSA-N 422.551 1.408 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1689847759 HLNOYIKRYRXDQD-CQSZACIVSA-N 414.491 1.607 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1689907611 FMVFLLIUMDYACB-FIKGOQFSSA-N 417.510 1.837 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1689988999 ADWXURFRNSZLDY-ROUUACIJSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(C)(C)O 1690018058 SNBVJZNHTFSYCV-UHFFFAOYSA-N 407.522 1.686 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)cc1C 1690092657 QAPWRPYKIDOAPC-UHFFFAOYSA-N 412.538 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1 1690104117 MZLBTLQYFKAJQX-KRWDZBQOSA-N 418.519 1.323 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1690674861 IIZKRKOPUVIUTO-HKUYNNGSSA-N 413.522 1.606 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1692852102 DOLRQGHOIDPKKP-OAQYLSRUSA-N 424.505 1.736 30 10 HDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1696398988 VEJHRFVOBXVXOR-SFHVURJKSA-N 409.494 1.847 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1696935968 JHDPQNONMBXVMG-QZTJIDSGSA-N 410.478 1.309 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCSCCCO)CCN1C1CC1 1698493310 LDWYOYPPQMUPND-WMZOPIPTSA-N 420.583 1.464 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC(C)(C)N1CCOCC1 1705584490 MGURWWOUWKGLBW-UHFFFAOYSA-N 412.563 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NC 1705590466 MCDLYJMUQAASHK-NRFANRHFSA-N 401.511 1.165 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC[C@@H](C)C1 1705630308 NWPIHQPCRKNKRA-MOPGFXCFSA-N 416.570 1.607 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](COC)C1 1705932159 NNFICGWFJWRORD-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2ccccc2C1 1705936869 ZXWOKVZGWBUUDF-SFHVURJKSA-N 402.520 1.946 30 10 HDEE Cc1ccc([C@@]2(O)CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)cc1 1707338980 BFMPYTDEMPKJMT-YVHXKWHWSA-N 422.489 1.519 30 10 HDEE CN(C)C(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cccc(C#N)c1 1710983795 HSLXMMFPJCNFME-UHFFFAOYSA-N 418.461 1.522 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCCCO)cc1 1712881340 QAEAIRWBRXJDDV-MJGOQNOKSA-N 408.506 1.942 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)CCO1 1712883511 QWMQFJCENQLKLJ-GFCCVEGCSA-N 418.445 1.538 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722316519 JLKJQMFGVGQUCN-QZTJIDSGSA-N 421.567 1.336 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722340695 FWBRKQGVHDETMP-RTWAWAEBSA-N 417.510 1.763 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCC[C@@H]1C 1722350371 XKGFRMYFXWDEKE-INIZCTEOSA-N 415.567 1.792 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1nnnn1CC1CC1 1722355644 LTDYRNXXUPRTBM-UHFFFAOYSA-N 406.494 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722390541 DIFZLCRMTMMILP-JQVVWYNYSA-N 416.522 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCc1nccnc1C 1722401424 XCTHZWJETPTXKI-UHFFFAOYSA-N 402.506 1.944 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1722408645 NWDIJXMKAOBNNC-UHFFFAOYSA-N 414.535 1.948 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1722440897 GPFCPUOGICMUNM-KDURUIRLSA-N 418.586 1.458 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1722446774 BFRHBYAOGOCBAI-JTSKRJEESA-N 401.555 1.994 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722461173 PBTXULVKIVGPQR-INIZCTEOSA-N 413.547 1.911 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOC 1722485252 YUXQGRGABMFDOT-LBPRGKRZSA-N 407.334 1.562 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCc2oncc2C1 1722487034 IAJGECXNXQPBNM-UHFFFAOYSA-N 407.272 1.860 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1722639783 FGLZZCFLPOZXFZ-AWEZNQCLSA-N 408.503 1.345 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1722671137 JVRIATRSKLRFOA-MSOLQXFVSA-N 402.543 1.764 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1722697545 LPUULLNDFRAEKL-UHFFFAOYSA-N 411.510 1.337 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N1CCCCCC1 1722861095 BQYQNXQJNQMOQW-INIZCTEOSA-N 403.531 1.805 30 10 HDEE CC(C)OCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1723729625 MJRMMFGRKWHHRI-QGZVFWFLSA-N 414.510 1.842 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCO[C@H]1CCOC1 1726408982 CQUOIIKEDLKLSV-NRFANRHFSA-N 410.522 1.976 30 10 HDEE CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1727353982 AFKBTTQNQYMTJA-CVEARBPZSA-N 423.539 1.116 30 10 HDEE CCS(=O)(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1729228174 PMCLKVGYFSZLNX-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE COC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1730560074 MRQFRFBFFKDDQC-QZTJIDSGSA-N 424.505 1.870 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(O)CCOCC1 1730845838 XMLOGHTVEFIRSX-QAPCUYQASA-N 411.478 1.376 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1740553201 ZRGRPCNUILWJMA-TZMCWYRMSA-N 420.315 1.736 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1cccs1 1740630299 AMILXBCDKWSACO-RTWAWAEBSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1740649630 YXFFUMSWASPCLM-HZPDHXFCSA-N 407.540 1.166 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1740773812 DSVZRLNQJRFWLJ-KRWDZBQOSA-N 423.583 1.985 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1740938094 YEKWCLHFGYFREK-JXFKEZNVSA-N 417.535 1.925 30 10 HDEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1740942477 QUVNQLHLKKVFBV-LJQANCHMSA-N 412.556 1.199 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740944665 VARKACFCYYRSDR-LJQANCHMSA-N 417.491 1.566 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCCn2cnnn2)c1 1742354597 NAVMUXALYSFDCD-UHFFFAOYSA-N 407.482 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1748639058 BGKHSYDJPKXHIW-SOUVJXGZSA-N 423.514 1.953 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCCC2)nc1 1748844491 SYVCWFKVSHUAMK-LJQANCHMSA-N 417.517 1.736 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(CC)CC1 1748890829 WVTBYNXWEWXONQ-NRFANRHFSA-N 412.582 1.663 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCS(C)(=O)=O 1748903410 YZFYPZXLYZYZLV-UHFFFAOYSA-N 404.467 1.504 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCn2ccnc2C1 1748906858 JPEKIUWMCGIALJ-DYXWJJEUSA-N 422.533 1.924 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H](C)NS(C)(=O)=O 1749141362 YSZCCSVBOFPNHF-YDHLFZDLSA-N 409.516 1.347 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1749402284 LIQITCCNXCDXGU-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1749591237 OQSXEUUQHFXJAF-LAUBAEHRSA-N 415.494 1.863 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1749830259 HRLRZJBCJDIDLH-QGZVFWFLSA-N 418.523 1.184 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1750034900 XHKJUSRMFWFTFE-MSOLQXFVSA-N 423.477 1.278 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](CO)O1 1750063365 OEVSUVRAHVNTIS-XOKHGSTOSA-N 400.439 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760114512 NYMIOBGBOFKQLR-JZXOWHBKSA-N 406.490 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1760123508 GZOGAKQLJLLEJG-CQSZACIVSA-N 408.437 1.996 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1760158466 LVTAXARNIAMAGJ-SFHVURJKSA-N 411.506 1.800 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCc2nccn2C1 1760193335 FDFLGCLEWSZYSH-QGZVFWFLSA-N 407.522 1.728 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1760522927 GZIGRCNWQIIQCC-KRWDZBQOSA-N 407.478 1.443 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@H]2C)n1Cc1ccc(C#N)o1 1761506186 WUWKWRAYWHAPDP-YNEHKIRRSA-N 424.552 1.731 30 10 HDEE CO[C@H](Cc1ccccc1)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1768046014 GOYDHHCYIJXNCB-MOPGFXCFSA-N 407.478 1.665 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CN(C)C1=O 1770190262 OUXOORBPEVDNDM-XGHQBKJUSA-N 416.526 1.610 30 10 HDEE CC#CCn1c(OC)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C 1772508807 CVDQUKUEGABYDN-UHFFFAOYSA-N 404.430 1.229 30 10 HDEE N#Cc1ccccc1OCC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 1852123044 PUFOZPVOHZFCPU-UHFFFAOYSA-N 415.471 1.274 30 10 HDEE Cc1nc(C(=O)N=c2ccc(N3CCOCC3)n[nH]2)c(C#N)c(C)c1Br 1852535233 TZTSRVQBDGLMIS-UHFFFAOYSA-N 417.267 1.633 30 10 HDEE Cc1cccc(C)c1N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)C(=S)N=CN(C)C 1853104386 FSFHEFHBXJOUDX-UHFFFAOYSA-N 422.576 1.935 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1cn(Cc3ccccc3)nn1)C(=O)CC#N)CC2 1853472895 ZEFFPZYDESDSOY-IBGZPJMESA-N 417.473 1.220 30 10 HDEE NC(=NOCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccncc1 1853591886 WJANUTPTPCPEPF-UHFFFAOYSA-N 411.462 1.182 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(Cl)cc3)C(=O)C2)cc1 1854024349 ZJNFPKMBMXQKKG-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ncc(Cl)cn2)C1=O 1854248087 AAJPHZJOQQZPEM-HUUCEWRRSA-N 405.886 1.370 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1854357508 PGYCISSFTNAOSG-DLBZAZTESA-N 423.922 1.933 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854553304 AKGMRDBYGZCUFJ-IBGZPJMESA-N 417.531 1.886 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)C[C@H]3CCOC3)C2=O)CC1 1854861668 WZEYDHJGKHLPPN-MJGOQNOKSA-N 412.490 1.598 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1 1854941719 SLRDALNXITWUKT-ZWKOTPCHSA-N 414.506 1.511 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(CCn4cccn4)CC3)CC2=O)c1 1855335589 OMUTVGJHXOQBJS-IBGZPJMESA-N 406.490 1.061 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1855376177 ZDDBBBGHDCZKGT-CABCVRRESA-N 415.519 1.879 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](CN2CCN(c3ccc(OC)nn3)CC2)CC1=O 1856662794 UUBPUOMDQFRFTC-IAGOWNOFSA-N 401.511 1.585 30 10 HDEE C=C(C)CN1CCC(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1856888690 ADCMTYAIRVXQBH-UHFFFAOYSA-N 409.508 1.240 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@@H]1CCN(C)C1=O 1857053809 VTJJMVVBJAUDDZ-WOJBJXKFSA-N 408.502 1.585 30 10 HDEE CN(CCN1CCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1857106094 PITDECAVYPJBAU-UHFFFAOYSA-N 404.492 1.122 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccncc3)C2)CC1 1857380590 FNJMOQOPXCKRTL-QGZVFWFLSA-N 404.474 1.549 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)[C@@H]2CC=CCC2)C1)C1CN(c2nccnc2C#N)C1 1857417715 FJXWLVQEMHFFOR-IAGOWNOFSA-N 408.506 1.590 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@H]2CO)=C(N)Oc2c1c(C)nn2C 1865227105 AWXWELWCOOQVHD-KXBFYZLASA-N 424.501 1.971 30 10 HDEE COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCC#CCN(C)C)cc2)c1 1891149130 CMRDTHRZQGCQSO-UHFFFAOYSA-N 415.515 1.469 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1891277630 RAMORGRRCHDFKV-UHFFFAOYSA-N 401.426 1.709 30 10 HDEE C[C@@H](C#CC(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1901976350 NQSNHBXPCXIGNL-AOMKIAJQSA-N 415.490 1.749 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 1982286519 KZVDCQLLDXVZQI-NWDGAFQWSA-N 413.334 1.744 30 10 HDEE CCOC(=O)c1sc([C@@H](C#N)C(=O)CSc2nnnn2C)nc1C(F)(F)F 2084272958 HONDAWYSOOIOQG-LURJTMIESA-N 420.398 1.831 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)[C@@H](C)CN1C(=O)OC(C)(C)C 2174780745 XTGUGZFSJPHJTH-GJZGRUSLSA-N 401.529 1.966 30 10 HDEE CN(CCOCCN(C)S(=O)(=O)N1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C 2174782271 OUNQRGCCTBVQMK-OAHLLOKOSA-N 404.533 1.282 30 10 HDEE CCN[C@H](C#CP(C)(C)=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2225391922 GEJKLVIYXSCGMJ-CABCVRRESA-N 406.485 1.972 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2247779375 RYVRSLZYUVKJQT-UONOGXRCSA-N 422.287 1.289 30 10 HDEE CC1(C)OB(c2ccnc(N3CCSC[C@H]3S(C)(=O)=O)c2F)OC1(C)C 2280755928 ADLLKFDFLQFHLD-GFCCVEGCSA-N 402.322 1.444 30 10 HDEE Cc1sc(C(=O)N[C@H](C)CS(C)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281932885 RSSULHXBKVMNBU-SNVBAGLBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H]3[C@H](C2=O)C3(F)F)OC1(C)C 2282331587 PFUMIYZSATVHKV-PSASIEDQSA-N 405.253 1.460 30 10 HDEE C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340325 DQZRPOKZMJFXBU-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE COCCOCCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282346804 YNFUCTMVOWCNEX-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@@H](N)C3)ccc2Cl)OC1(C)C 2282489751 FZFGMQFAEOULLI-GFCCVEGCSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC2(CO)CC2)OC1(C)C 2282496033 VETQZJJFAHGMBU-UHFFFAOYSA-N 401.359 1.629 30 10 HDEE CCNCCN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282830945 CENODZIBQTVIGF-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE CC[C@H](O)[C@@H](CC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837736 GUSAMZJLPMOCNP-YPMHNXCESA-N 404.363 1.411 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C[S@](C)=O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838162 JVOFJNKEKJTJDA-VWLOTQADSA-N 419.399 1.355 30 10 HDEE CCN(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CC1 2282847896 GHWDVULGPVYDCG-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCC[C@@H](O)C3)c2)OC1(C)C 2282852465 PKMIBQUWDMMLMV-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE COC[C@](C)(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282857965 PPDUEQVLCDFYFH-INIZCTEOSA-N 405.347 1.377 30 10 HDEE C[C@@H]1CC[C@@H](CO)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859873 RPGBMPOOEJBMGQ-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)C[C@@H]1O 2282868456 NJJFUUWZNWDHCL-UPJWGTAASA-N 401.359 1.827 30 10 HDEE CN(CC(N)=O)S(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282872151 RKENCTXIUFAIDE-UHFFFAOYSA-N 423.127 1.398 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](CO)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282872407 WAXMOIKNHUEYTE-CYBMUJFWSA-N 403.375 1.959 30 10 HDEE C[C@@H]1OC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282883400 ZYFOMZVCECEALN-OBJOEFQTSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](F)[C@@H](C(=O)O)C3)s2)OC1(C)C 2284412720 XJSCOLFMTTYNID-UWVGGRQHSA-N 405.278 1.091 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)F 2284413159 HMKYZWXXNMVRBR-QPUJVOFHSA-N 407.294 1.445 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2F)n1N=Cc1ccc[nH]1 2330718921 QZTLALDKWJMKDJ-UHFFFAOYSA-N 415.454 1.994 30 10 HDEE C#CCN(C(=O)[C@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2360589379 WGFYNSAHMVMLHJ-KBPBESRZSA-N 420.468 1.151 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CCCN(C(=O)OC(C)(C)C)CC1 2365204555 YWKCCASBGZTCKJ-INIZCTEOSA-N 401.573 1.344 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792956 AJALPINANYDLRW-KBPBESRZSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367803775 NEPGXLOPRAXGLG-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)C(=O)O 33496319 ZARAXMQQYGOQGM-MBCCIFHSSA-N 411.366 2.000 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NCC#Cc1ccc(N2CCOC2=O)cc1 96352770 PTPOCQMXCYHRGG-UHFFFAOYSA-N 420.468 1.821 30 10 HDEE Cc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1F 254566682 JZZVYCZPXDJGGC-STQMWFEESA-N 400.453 1.600 30 10 HDEE C[C@@H](/C(N)=N/O)n1cnc(I)c1I 307130809 FUGBXXJOICRIMR-VKHMYHEASA-N 405.965 1.400 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 409572806 GQDSGJDZRPNXIL-ZDUSSCGKSA-N 400.451 1.449 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 409990884 GNIWDXXSSCVAQH-GXFFZTMASA-N 403.240 1.395 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 410207953 XRHYLPSNKFAQSP-ZWKOTPCHSA-N 419.551 1.498 30 10 HDEE Cc1nc(CN2CCN(C(=O)Nc3ccc(S(=O)(=O)[C@@H](C)C#N)cc3)CC2)n[nH]1 483470738 CWYBENRUZPFBOU-ZDUSSCGKSA-N 417.495 1.149 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccnc(N2CCN(C)CC2)c1 486216863 OSSJWXUEKZXNQM-UHFFFAOYSA-N 406.534 1.909 30 10 HDEE Cc1ncc(S(=O)(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cc1C#N 489119606 WXUQYTQPVJNVQF-UHFFFAOYSA-N 405.480 1.185 30 10 HDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCOC1 490027658 BFDUHFRGMGNJFO-UXHICEINSA-N 404.486 1.272 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 492059322 HAYZQSXMCKMFBR-UHFFFAOYSA-N 402.436 1.578 30 10 HDEE C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CN 504543740 XEXJOPLDBYLHLY-HGIVNFSNSA-N 419.518 1.291 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)OC)CC1 508799825 BXIICGLBYCFTGM-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCCC2)C1 508890120 VWKFZELGHSJOOQ-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 514646424 CBLLZTRONNCIEZ-UHFFFAOYSA-N 422.485 1.852 30 10 HDEE C[C@@H](C#N)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 518421181 OOYLVFUMSPXZQM-SMDDNHRTSA-N 400.298 1.878 30 10 HDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)n1 523462578 CWDGYPDKPPCJLE-UHFFFAOYSA-N 420.376 1.134 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 555242301 IHLLIYVZIKVECS-UHFFFAOYSA-N 424.505 1.996 30 10 HDEE COCC[C@@H](COC)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 576752692 CEUUNVIAOYFJHP-AWEZNQCLSA-N 403.439 1.689 30 10 HDEE Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccccc2C#N)n1 585427799 OHIUNJPESMTDBL-UHFFFAOYSA-N 400.508 2.037 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1-c1ccccc1C#N 604002779 ZDSWPWBTQPSGMU-UHFFFAOYSA-N 400.463 1.328 30 10 HDEE C=CCN(C(=O)c1ccc(S(N)(=O)=O)cn1)[C@@H](Cc1ccccc1)C(=O)OCC 619583949 NOZCNKBSRBGHNR-SFHVURJKSA-N 417.487 1.532 30 10 HDEE C#CCN(C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 729332401 YILIDSNHUYJPKW-GOSISDBHSA-N 404.532 1.753 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H]1CCN(C2CC2)C1 732164849 ACWCKROFKFNFMR-AEFFLSMTSA-N 418.563 1.835 30 10 HDEE C[C@H]1CN(Cc2csc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)C[C@@H](C)O1 732674786 LTHUOQGBBXZMOB-VBQJREDUSA-N 404.540 1.956 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)NCCCC2CC2)cc1 737230159 XYGYBBNCMVCGKB-XLNRJJMWSA-N 406.508 1.744 30 10 HDEE CCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CCOC)c2)c1=O 743727494 OINNFXGTTOCBPG-UHFFFAOYSA-N 414.531 1.425 30 10 HDEE CCc1c(C(=O)OCc2ccc(OCC#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754344118 CIIZDICHGQILIB-UHFFFAOYSA-N 408.414 1.454 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C 756026888 HHVXSYBWKWNKCH-NVXWUHKLSA-N 402.495 1.993 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 756657502 ICNNSFAPDSDIDV-HKWRFOASSA-N 420.451 1.876 30 10 HDEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCS(=O)(=O)C1 759687893 VJAORQPSJNWCCU-IRFCIJBXSA-N 422.522 1.731 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 764399235 DYVRXVJKVRNAES-PFFGMESJSA-N 421.860 1.883 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C(=O)OC(C)(C)C)cc2)c1=O 764982039 ZIWFLZBKOXNOMJ-UHFFFAOYSA-N 411.483 1.538 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H]1CCCCS1(=O)=O 772403836 FLZYRFFCZWYZNC-PBHICJAKSA-N 408.476 1.841 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 774171548 QGSJZFNFQRPPCO-QAPCUYQASA-N 405.520 1.547 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccc(C#N)cn2)c(NS(=O)(=O)C(F)F)c1 776082373 FHCOXQVHKDYAEJ-UHFFFAOYSA-N 418.403 1.727 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)c(F)c1 791373350 CGDZONDXSCPKHZ-INIZCTEOSA-N 402.813 1.641 30 10 HDEE COC(=O)[C@@H]1CCCC(=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)C1 794908936 NWTVIUNNKZKNFS-CQSZACIVSA-N 409.512 1.149 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 801712876 ORWHFZFGZOLNHZ-MAUKXSAKSA-N 414.528 1.179 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccsc3)n2CCOC)CC1 802346753 RJHKRMRGSYUACR-UHFFFAOYSA-N 404.540 1.001 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 802450741 CEEQQTCQXJLVFC-MRXNPFEDSA-N 419.507 1.246 30 10 HDEE C#CCN(c1nnc(CN2CCCc3ccccc32)n1CC)[C@@H]1CCS(=O)(=O)C1 812039817 INMXIUMMCXDDSE-GOSISDBHSA-N 413.547 1.878 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812309557 CEMYMBVIIPZHSI-IAGOWNOFSA-N 415.519 1.454 30 10 HDEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1N/C(=N/C)NCCN1CCOCC1)O[C@@H](C)C2 849097197 GMMLFOGJZFTVQV-IEZWGBDMSA-N 402.539 1.762 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)C[C@H]1CCS(=O)(=O)C1 926572181 CEWNTPLKFMKGNT-LSDHHAIUSA-N 408.476 1.698 30 10 HDEE C=CCN(C(=O)CN1CCCCC(=O)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1128111949 OXSMSTLQRDHXOI-GOSISDBHSA-N 400.475 1.757 30 10 HDEE C#C[C@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCOCC1 1131468666 IVCABJCXJKOICS-OALUTQOASA-N 416.474 1.779 30 10 HDEE O=C1CCN(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1134405539 YNGUVDFDICQDHM-RNFRBKRXSA-N 423.260 1.558 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3COCCN3C(=O)OCc3ccccc3)CC2)C1 1134525631 ITGOPAZCQYHVAH-IBGZPJMESA-N 414.458 1.888 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccc(Cl)c(C#N)c1)CCS2(=O)=O 1134859543 SQGQGXPLNVLONQ-FVRSWCFKSA-N 410.879 1.840 30 10 HDEE C#CCN(C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136354884 BVHWWGLJDYDUKK-UONOGXRCSA-N 404.554 1.282 30 10 HDEE CCS(=O)(=O)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1136598276 YZOWDZPEPGBTCJ-UHFFFAOYSA-N 400.298 1.308 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 1137370963 DDDHMINWCNRZDW-UHFFFAOYSA-N 417.409 1.150 30 10 HDEE C=CC[C@H](NC(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1)C(=O)OCC 1138146888 COIUFLZQNKLFHX-FIKGOQFSSA-N 404.463 1.773 30 10 HDEE CN(C)[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1141411663 HMAIVPXCLHNMSQ-ROUUACIJSA-N 404.536 1.512 30 10 HDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1142748372 DAXRDJDSQXICES-UHFFFAOYSA-N 400.479 1.748 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H]1C 1144384570 FRSDZPNXPFISIA-TUAOUCFPSA-N 405.296 1.881 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1 1148314668 NGLIKGKCSVEWOD-UHFFFAOYSA-N 414.487 1.929 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)n3ncc(C#N)c3N)CC2)c1 1149424357 CGDCHCFETOOVMN-UHFFFAOYSA-N 401.448 1.281 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C1CCN(S(C)(=O)=O)CC1 1150593349 TYCVZWNWZZXLMJ-OAHLLOKOSA-N 401.529 1.176 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@H](CC#N)C(F)(F)F 1156052860 HBAQHNLIKKNYDU-XXFSISAASA-N 411.302 1.933 30 10 HDEE Cn1c(N2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)c(C#N)c(=O)n(C)c1=O 1163597818 ROUPSASDWUAUHZ-DLBZAZTESA-N 410.474 1.517 30 10 HDEE CC[C@H](CC#N)NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1170947934 CFZYPFGAUKNEDT-QGZVFWFLSA-N 406.508 1.004 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H]3CCNC(=O)[C@@H]32)C1 1175797428 QCRZNLALVYOVRT-SJKOYZFVSA-N 417.307 1.884 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ncc(Br)cn2)c1 1177727314 LBOXYXLKUTUAOF-UHFFFAOYSA-N 423.292 1.423 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1178460095 BHEJSQUCDREFKR-QGZVFWFLSA-N 424.486 1.206 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c(Cl)cccc3Br)C2)c(=O)nc1O 1180999568 BPGKZYSIBPFBGZ-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1181823862 PDSWBMAIJVCMAS-NPSOMJIGSA-N 419.503 1.446 30 10 HDEE CC(=O)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 1197591355 XUHZJEHGQZRCFE-UHFFFAOYSA-N 411.462 1.756 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C 1202782963 CVMPRABSLMNLNC-OAHLLOKOSA-N 424.523 1.668 30 10 HDEE CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1226623588 PMSXHHXRUBQUKD-IHHFWDAISA-N 411.911 1.996 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1230479922 AEILMZOORTVXBP-LJQANCHMSA-N 407.536 1.432 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1248605923 BPLWIHCBPJSESY-UHFFFAOYSA-N 421.519 1.625 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 1254309745 URYKRWWNHNTPCC-CABCVRRESA-N 406.446 1.602 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2ccccc2NS(C)(=O)=O)n1 1256226450 GUBIISYMLXUXMS-UHFFFAOYSA-N 404.492 1.106 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1286321790 BAXWYTQPYJKMFK-GOSISDBHSA-N 408.568 1.973 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286337997 BRDDNYUCPXJABW-DLBZAZTESA-N 410.478 1.723 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1286387272 PLVWCTOSIIWZAC-INIZCTEOSA-N 412.475 1.312 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)N(C)C2CCCCC2)CC1 1286476854 HBZAHQUMRRQLGB-UHFFFAOYSA-N 421.549 1.886 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286514999 SUXTZCFUCWHMGW-ZOBUZTSGSA-N 407.540 1.035 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286684362 INGZOKCMXFPJJN-MRXNPFEDSA-N 421.571 1.801 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1286787020 AOAIAFGYBGHGEW-BCOMRZATSA-N 417.535 1.458 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)C(C)=O)CC1 1286789435 SDTLFIOZPSWGRW-UHFFFAOYSA-N 411.510 1.013 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN2CCCC[C@H]2C1 1286820542 MZOHPHYUKPSHNM-SJORKVTESA-N 409.556 1.057 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCOC(F)(F)C(F)(F)F)cc1 1288510703 RGJDGMYYONTZLJ-UHFFFAOYSA-N 415.340 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2csc(C#N)c2)C1 1288730928 PINIDYJSRNBOPP-AWEZNQCLSA-N 413.521 1.774 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1cccc(N(C)S(C)(=O)=O)c1 1289637830 BYDHMFMJGCQAIG-UHFFFAOYSA-N 416.503 1.921 30 10 HDEE Cc1nccn1CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1290515009 CTQXZWMNNIDMKL-ZBFHGGJFSA-N 405.528 1.514 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)c1 1293734045 OAGNNXYGZMIQKL-QGZVFWFLSA-N 424.478 1.941 30 10 HDEE COCCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1297739733 FNEYUDSMFWWLBR-UHFFFAOYSA-N 419.434 1.751 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300481699 AZWCBQLZHMLYQO-QGZVFWFLSA-N 421.567 1.477 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1300505699 GCPMNWJSECHUQO-KSZLIROESA-N 422.551 1.429 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1300537328 DUZDGFZBHPKSAJ-KZNAEPCWSA-N 404.536 1.314 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc(S(C)(=O)=O)cc1 1300540880 FTZDIAWWAYJGCV-UHFFFAOYSA-N 419.510 1.789 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1300696229 VTSVJPSXWLVVQT-QFIPXVFZSA-N 423.496 1.481 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300879743 FLILXWCRQDOOSE-KSZLIROESA-N 417.535 1.945 30 10 HDEE Cc1[nH]nc(NC(=O)c2cc(I)ccc2-n2cnnn2)c1C#N 1300945307 JKIUNRNVNYAZFY-UHFFFAOYSA-N 420.174 1.422 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1300971582 CUUNNOUIFQIAQT-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1300979521 BQIUBFHPBWMSQA-UHFFFAOYSA-N 403.508 1.890 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1300999616 FCYRWEWEXCFLOS-KRWDZBQOSA-N 424.505 1.988 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1301060191 CELLHVWGTZFOFA-BBRMVZONSA-N 404.920 1.306 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1301229445 QTEOXMCTEASZFG-UHFFFAOYSA-N 412.494 1.922 30 10 HDEE C#CCCN(CCOC)C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1301379674 UIXNEDSKEALXIW-UHFFFAOYSA-N 423.716 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@]2(C)C(=O)OCC)s1 1301419569 GFXSNLWSLOUHBX-KSSFIOAISA-N 414.549 1.993 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1301503194 VIFAATBYOAGYMA-LSDHHAIUSA-N 406.531 1.882 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1302095165 DHOGJPKTPONVHJ-WOCWXWTJSA-N 421.498 1.069 30 10 HDEE CC1(C)C[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCS1(=O)=O 1304235871 UVBOWDRFFVPZBN-OAHLLOKOSA-N 412.533 1.850 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C(C)(C)C1 1305592511 QDMFVQBKVUQURK-CQSZACIVSA-N 417.466 1.097 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(CO)(CO)C2)n(-c2ccc(F)cc2)c1C 1307928828 UEXRRFQCJPWOIP-UHFFFAOYSA-N 400.454 1.720 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 1312158529 COVFXBCBYXJPCU-HNNXBMFYSA-N 416.478 1.771 30 10 HDEE CC[C@@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)OCCc2ccccc21 1312815989 BLJANQPRJADAID-DBVUQKKJSA-N 403.504 1.444 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCOC[C@@H]3CC(F)F)C2=O)cc1 1324375634 QOYSXOCESSCUCU-GJZGRUSLSA-N 406.389 1.646 30 10 HDEE C#CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@H]1CCOc2ccc(Br)cc21 1353635170 QPFSGZHFGDAADP-ZDUSSCGKSA-N 418.251 1.125 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC=C 1358877899 MGFJXKZZIUQNLX-CQSZACIVSA-N 403.464 1.912 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1358894196 KBYWNOMSTFNLKK-RDJZCZTQSA-N 405.506 1.889 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1358905205 VDAGNHFBENRLGH-KSZLIROESA-N 403.527 1.768 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1358946093 INLGZSHCOFKZNT-UHFFFAOYSA-N 402.462 1.526 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1358955388 KYXKAEJTWYMDHW-FHWLQOOXSA-N 405.543 1.428 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1358978991 ZRNYNUZIZZRRQL-MOPGFXCFSA-N 408.506 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCCC1(C)C 1359018309 LOFGFTHDJHKYPW-NRFANRHFSA-N 403.527 1.541 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359097910 VKMYZJJJUCQVIR-IAGOWNOFSA-N 420.539 1.307 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359183881 WYGDCYZJUVZDQI-MRXNPFEDSA-N 415.546 1.729 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(OC)CC1 1359331030 KYTQERQTYHWGNJ-LJQANCHMSA-N 422.555 1.675 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccco1 1359331971 LNKJQTAQZBFWMR-UONOGXRCSA-N 407.496 1.620 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1359342623 BNYUTYAATOJPLG-HZPDHXFCSA-N 414.597 1.962 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1F 1360480507 AZVMYXGPSFICDZ-AWEZNQCLSA-N 401.446 1.752 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)COc1cccc(Br)c1C#N 1437632391 LWJOEVMNYNYBCS-QGZVFWFLSA-N 411.252 1.880 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCC3(C#N)CCCCC3)cnc21 1437780651 HMUWNEMKULYVAG-UHFFFAOYSA-N 407.272 1.483 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1439566703 JPFUDSYWMAEDIM-TZMCWYRMSA-N 409.895 1.600 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCn2cncn2)CC1 1444667506 GQXDRBINYSISNM-OAHLLOKOSA-N 412.922 1.458 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 1454006965 JPAUYZOGZDAYPX-CQSZACIVSA-N 409.508 1.583 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2cncc2-c2ccccc2)cc1 1454314651 SCSNXOPWPGKPOC-UHFFFAOYSA-N 408.483 1.892 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1461930855 CKEMEGCERGTNGU-MRXNPFEDSA-N 403.504 1.392 30 10 HDEE CN(CC(=O)N1CCO[C@@](C)(C#N)C1)S(=O)(=O)c1ccc(Br)cc1 1463097727 XUUNRXBSAGARTK-HNNXBMFYSA-N 416.297 1.211 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CC1 1464354829 IRPJYRLBWONESX-UHFFFAOYSA-N 414.281 1.570 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)C(C)C 1465624419 FWCWIXOTHLHDFD-PXNSSMCTSA-N 418.519 1.846 30 10 HDEE C#CCN(C)C(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1466831931 UQSCAWSUCDKQQU-HXUWFJFHSA-N 405.454 1.861 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1468443894 FLBYWZMGRPDDKD-UHFFFAOYSA-N 405.520 1.531 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C#Cc2ccc3c(c2)OCO3)CCCO1 1468801766 HPJORBXSBOSETI-MRXNPFEDSA-N 402.447 1.909 30 10 HDEE N#CCc1ccc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)cc1 1469415434 XYZVEJGAJFNWBX-IBGZPJMESA-N 408.458 1.929 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)C1 1469535302 OUMRCPNBRYXCBF-ZDUSSCGKSA-N 408.867 1.803 30 10 HDEE CCC(C)(C)N1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1469656232 WTNRXDGKGFGFFZ-UHFFFAOYSA-N 406.552 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(c3ccsc3C#N)CC2)C1 1470095751 HJBFDUUVUGTZSD-OAHLLOKOSA-N 406.508 1.904 30 10 HDEE COC(=O)C[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1470118921 DCIGVPQYHMHQNQ-RDJZCZTQSA-N 412.446 1.469 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCCC1 1472035751 NVEFGCHVNJAYLD-KSSFIOAISA-N 411.524 1.611 30 10 HDEE Cc1ccc(NC(=O)[C@H](C)N2CC[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1473663943 WCTKRGDWYCIPAI-OXJNMPFZSA-N 420.535 1.579 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)C1 1475132775 YKNBULLPQVAKLE-CQSZACIVSA-N 406.501 1.943 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1492947430 FDMUBPRBXLPSQI-SFHVURJKSA-N 416.507 1.072 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1494107930 PXAHKJZOGQEELG-CJNGLKHVSA-N 416.432 1.908 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1503861791 BPUCRRXBIFZKMR-UHFFFAOYSA-N 417.491 1.251 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC(F)(F)Br)CCO1 1505326151 WELZMDAMWLCSMY-GFCCVEGCSA-N 413.226 1.980 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1507643529 WLHJONWNRCITMS-UKRRQHHQSA-N 420.564 1.530 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCC2)CC1 1507737635 AZDBOBUFCCVGBH-LJQANCHMSA-N 414.554 1.234 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)CC)CC1 1507738685 VLGVRBNEUSFYGT-QFIPXVFZSA-N 410.522 1.775 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1507964477 AGNBQKZCGXQCFU-QGZVFWFLSA-N 423.521 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(C)C)C1 1508139732 DGNDBTPTEXTSNG-SJORKVTESA-N 412.556 1.634 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1508157562 AFLDTSOITWXBOV-ZIAGYGMSSA-N 402.528 1.618 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1509716552 MQCUSMBYSULLFM-MRXNPFEDSA-N 413.438 1.497 30 10 HDEE Cc1cccc(N2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1511180817 IMEKENWFRKLZKE-MRCUWXFGSA-N 421.505 1.748 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)cc1 1532282288 QZUYOTSLKVBEOQ-OAHLLOKOSA-N 413.455 1.642 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1533968811 RUDMVZHEFABMCZ-INIZCTEOSA-N 421.494 1.164 30 10 HDEE COc1ncc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1C#N 1535497591 HRZVMMRIXAIXCA-UHFFFAOYSA-N 417.443 1.926 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)nn1 1536910292 IURRZKNQZYJMDG-JYJNAYRXSA-N 405.524 1.377 30 10 HDEE C#CCN(C(=O)CN1CC(=O)N(C)C1=O)[C@@H]1CCOc2ccc(Br)cc21 1538198838 LNXAZFWAGDIIAZ-CQSZACIVSA-N 420.263 1.629 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1538993688 PLOXEEWXSROBBF-DLBZAZTESA-N 411.506 1.895 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1539123642 AJVFGHYRCSVRHC-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1539132135 FIIHWFBMKUYURL-SFHVURJKSA-N 414.554 1.947 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1539170979 DRNREXHYVZNCBZ-UHFFFAOYSA-N 406.475 1.470 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539205350 GZDYDUWRFLMRFA-RTBURBONSA-N 407.584 1.724 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1539220490 SVBFPKIUNAFCFO-KRWDZBQOSA-N 402.520 1.855 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1539370452 WIFGSZCNCZWZHA-KRWDZBQOSA-N 404.540 1.625 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1539405492 BEYUOKLWQRJCAH-UHFFFAOYSA-N 422.533 1.750 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)C(C)C)CC1 1539481499 AMMPWGHMSMCNHC-HXUWFJFHSA-N 424.549 1.901 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1539803042 DFGVDBKDHAXUIN-CQSZACIVSA-N 405.952 1.846 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1540071972 IXCBHIYBULSFBJ-AWEZNQCLSA-N 412.541 1.046 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1-c1ccccc1 1540073378 PPAUCGMEWDWSDF-OAHLLOKOSA-N 413.507 1.431 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccc(F)cc1 1540858080 GISZGPOKWZAOPW-KRWDZBQOSA-N 423.514 1.963 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540869230 GCCHXIBOSBHBRB-MRXNPFEDSA-N 406.494 1.678 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC2(CC1)OCCO2 1540870362 LOWXHTHHMYOHEL-MRXNPFEDSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1540872807 BAGDGPCEVSLHJW-GOSISDBHSA-N 423.565 1.877 30 10 HDEE CC(C)OCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1541757289 SDVKKXMCWJDGJB-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\c3ccc(C=O)cc3)CC2)cc1 1543121023 FOMVMWACCOPRQT-YFHOEESVSA-N 409.467 1.917 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1544078094 AWYWTZLPXDKAHU-BZSNNMDCSA-N 405.564 1.451 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1 1544507862 AHVYUFRFPSBHHQ-QZTJIDSGSA-N 411.545 1.911 30 10 HDEE C#CC[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccccc1 1545886105 RDDSEIMAVYTHOK-GOSISDBHSA-N 405.458 1.602 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1555247462 AEMZOWWUBCTYCO-UWJYYQICSA-N 410.478 1.337 30 10 HDEE CN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)Cc1nnc2n1CCNC2=O 1560136858 IEUWEOZJEZAQSY-UHFFFAOYSA-N 413.507 1.294 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1)C1CCOCC1 1561770058 BUQWLYJSTCNHEV-MRXNPFEDSA-N 418.512 1.684 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(F)cccc2SCC)CC1 1562895002 NXHRLLUGDAQOMU-UHFFFAOYSA-N 400.501 1.555 30 10 HDEE C#CC[C@H](COC)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1563691329 FRGWUKNOFJAJNR-FUHWJXTLSA-N 407.536 1.945 30 10 HDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCCNS(=O)(=O)N(C)C)cc1 1568741738 GHSNJPFOFJJQLN-UHFFFAOYSA-N 402.476 1.785 30 10 HDEE C#C[C@@H](NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1ccc(Cl)cc1F 1568897432 GXLHHPYUHOVETI-OAHLLOKOSA-N 417.890 1.104 30 10 HDEE COc1cc2nc(C(=O)N(CCC#N)CCCN(C)C)c(=O)n(C)c2cc1OC 1583444781 AFZNEQFCVXLJNN-UHFFFAOYSA-N 401.467 1.258 30 10 HDEE C#CCCCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587793084 GIOLFYPAOJJZOU-SFTDATJTSA-N 403.527 1.824 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1587856682 PKQCKTMOVQYYAV-KRWDZBQOSA-N 400.527 1.970 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1587894592 XPBYCUHMVCBPRK-HMFYCAOWSA-N 415.538 1.980 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1588139127 MFSGPJYVZKXOHY-OXJNMPFZSA-N 404.536 1.194 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1CCCO 1589207849 QZNACWCFDUEKOU-CBGDNZLLSA-N 400.527 1.068 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1594680326 RPSYDKMXAXINMN-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@@H]1C 1595570008 UIYBEHWSWBWHAP-INIZCTEOSA-N 401.515 1.446 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C1 1595789851 CTBRFCLVZOGHBU-HZPDHXFCSA-N 401.511 1.850 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N1CC(C)(OC)C1 1595821981 FGTRSHGRBVOXCY-UHFFFAOYSA-N 420.535 1.991 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2([S@](C)=O)CC2)CCOC1 1610334889 FYFGRFHOBYTBBQ-HWZVGPHQSA-N 409.556 1.968 30 10 HDEE O=[N+]([O-])c1ccc(/C=N/NCCOCOCCN/N=C/c2ccc([N+](=O)[O-])o2)o1 1615943854 MYILLEVVYHCLHH-VNIJRHKQSA-N 410.343 1.227 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1618761579 DEYZCBBCLCMJTJ-NDEPHWFRSA-N 400.508 1.300 30 10 HDEE COC(=O)Cc1ccccc1CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1623874768 CREYQZXECCOJSL-UHFFFAOYSA-N 415.471 1.442 30 10 HDEE N#Cc1cn(CC(=O)Nc2cnn(-c3ccccc3)c2C(F)(F)F)c(=O)nc1O 1624958101 BAJQSDDGYVKPRD-UHFFFAOYSA-N 404.308 1.664 30 10 HDEE CN1C(=O)C[C@@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1626121825 ZJMMYOWCTWAOOI-NVXWUHKLSA-N 412.446 1.266 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 1626731669 CAAUDQDHENAGFZ-UHFFFAOYSA-N 400.464 1.149 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCCS(C)(=O)=O)C2)C1 1626981775 VEAPNDJHBNEKDO-HVEKOLDVSA-N 413.540 1.714 30 10 HDEE Cc1ccc(CN2CC[C@H](CN(C)C(=O)CCn3cc(C#N)c(O)nc3=O)C2)s1 1627084096 HXFABNNQZDWEGV-OAHLLOKOSA-N 415.519 1.561 30 10 HDEE COc1ncc(NC(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)cc1C#N 1627431395 GXEZLCOYCDRUOE-UHFFFAOYSA-N 408.462 1.671 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1628147093 WKJKAILBDOLUMW-GOSISDBHSA-N 422.570 1.600 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CN(C)CCN1C 1628389915 FULVEWWZRLRMQI-YEWWUXTCSA-N 403.914 1.315 30 10 HDEE CC(C)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@]1(O)CCOC1 1630826418 HUAMXWDWTLHRLU-IIBYNOLFSA-N 414.462 1.057 30 10 HDEE CN(CCO)CCN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1634110605 GIUUUPVVURUUDH-LJQANCHMSA-N 416.522 1.775 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1ccc(OC)c(Br)c1 1636852358 NQOHSFWLYKTGKS-RDJZCZTQSA-N 409.324 1.823 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1639885292 YETONBUGAYNHAT-ZBFHGGJFSA-N 414.243 1.618 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3ccccc3)noc2CC)CC1 1643372461 MSPKQIJJTBKSAS-UHFFFAOYSA-N 402.476 1.129 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 1645693403 DREIHLUFIKSYIN-ZBFHGGJFSA-N 401.492 1.365 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN3CC(F)(F)C[C@H]3C2)CC1 1646441145 AZPDQQRMWGRVGT-HOTGVXAUSA-N 409.506 1.482 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)c1 1648022661 GZYNFIMTIISECY-HNNXBMFYSA-N 409.826 1.733 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 1648535709 YINKSWUKONQCBR-DOMZBBRYSA-N 418.519 1.389 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1650951737 PGKNAVNHELTADY-SFHVURJKSA-N 424.588 1.772 30 10 HDEE C[C@@](O)(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 1652201670 BKLRNTCSGVCWON-LJQANCHMSA-N 405.451 1.278 30 10 HDEE Cn1c(=O)[nH]c(NCc2c(Br)cncc2Br)c(C#N)c1=O 1655492850 AHFNCQWLLGFWEV-UHFFFAOYSA-N 415.045 1.477 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1C#N 1660102731 GMEHXRJWYRWDKX-UHFFFAOYSA-N 421.479 1.768 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)NCCOC)cc2)cc1 1674638706 KAIVIHWCIKTCAO-UHFFFAOYSA-N 417.487 1.945 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 1681192945 BUIBYBXUFYWCNH-IBGZPJMESA-N 413.453 1.804 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)CC1 1682914274 GBEFLTSWVKDNTO-OAHLLOKOSA-N 402.451 1.485 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2nc(C3CCOCC3)n[nH]2)CCN1Cc1ccccc1 1684457392 VNZULEQWLZEMJN-GOSISDBHSA-N 409.494 1.618 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1689843528 XGAIFIKIZQLJFR-OAHLLOKOSA-N 400.508 1.602 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCCn2cnnn2)c1 1689870509 QRBPWDUBQMZCMC-UHFFFAOYSA-N 419.493 1.679 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689930106 KQGVUXKPPXORBH-RLLQIKCJSA-N 414.554 1.184 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1689987873 DSKKEENLQNOLTM-BFYDXBDKSA-N 403.508 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1690028193 NILFZNMATOIMBW-JOCHJYFZSA-N 409.490 1.005 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1690085879 ILFSFGCOVNLLCJ-UHFFFAOYSA-N 407.478 1.911 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690124111 FNJJRSSIJZDNNH-WOJBJXKFSA-N 414.554 1.186 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690483956 ZRRCWLJTCAGJIR-JKSUJKDBSA-N 402.499 1.611 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1691003023 AUGADJMZRPDRIX-CVEARBPZSA-N 403.508 1.852 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1692346465 FWBFWYJNGCGBAW-IAGOWNOFSA-N 404.515 1.801 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1692557926 CXYPASHYYMHAFQ-KRWDZBQOSA-N 407.478 1.152 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)OC)C[C@H]1O 1697065053 HRWDZSLIBJUZOA-IAGOWNOFSA-N 413.478 1.602 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccc(C)s1 1705491817 IKSQXRINGSHABP-HIFRSBDPSA-N 423.564 1.588 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1705564751 PVGDATPVVOOQNV-MRXNPFEDSA-N 417.560 1.886 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1705569388 GPSIHSPCPFEEEY-CQSZACIVSA-N 406.537 1.066 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1705569389 GQOSMRUXCKDKTN-HNNXBMFYSA-N 423.564 1.031 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1705626713 GMVJTYPDGYUSER-QGZVFWFLSA-N 424.509 1.165 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccs2)CC1 1705647152 BJGDOIFEWDKMFV-INIZCTEOSA-N 412.519 1.305 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@H]1OC 1705846766 RQDKFBYILOYWHV-LSDHHAIUSA-N 405.524 1.943 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1705894834 MNESINRJXOHUNX-UHFFFAOYSA-N 414.510 1.876 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705900439 DJEYOHJHGKCIEP-CVEARBPZSA-N 424.505 1.969 30 10 HDEE CC(C)NC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1706647836 ZREMZENQDAAIRY-UHFFFAOYSA-N 424.553 1.985 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@H]2CCOC2)CCOC1 1710447851 JJESYOIYFDXRIS-GHTZIAJQSA-N 419.526 1.866 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722380679 USUORCUVBJOBMY-UHFFFAOYSA-N 403.534 1.814 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)c(C)s1 1722391228 YFHOMVRTBANQLS-AWEZNQCLSA-N 420.564 1.473 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCC[C@H]1C 1722428432 WEDAFCRLDCTBIH-WKRCXCSHSA-N 406.527 1.639 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](COC)C1 1722451241 HLISFKBEPWAKGX-LSDHHAIUSA-N 415.585 1.118 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C 1722467238 PALDTHKILPAVQL-AUUYWEPGSA-N 424.571 1.043 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(C)(=O)=O 1722511669 HPRNEZFZIJQQGV-UHFFFAOYSA-N 416.511 1.368 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1722534686 OQIVPRYKOSAORY-UHFFFAOYSA-N 401.515 1.576 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)CC1 1722694107 LPGKTNPLUKGVSD-UHFFFAOYSA-N 410.522 1.871 30 10 HDEE Cc1noc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1726430718 HDQHKUCZPWAFMN-ZDUSSCGKSA-N 421.527 1.672 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726890038 UVFIIUBGEUGJOP-DXNFXHBHSA-N 402.499 1.791 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1729414698 DXIQLVYCZJZJHH-RTBURBONSA-N 424.505 1.559 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730984322 AXISWLKBWKBXAL-DXQAYGFFSA-N 409.450 1.092 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)CC1 1731190763 XPXKDWZUAZXALX-ROUUACIJSA-N 416.526 1.945 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1740622748 IBPDKAFRYYGNGN-WBVHZDCISA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCCC)c1 1740636983 LDPJZNFEXAUQLP-UHFFFAOYSA-N 415.501 1.940 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)C 1740680519 FGJIHDHVRKFDMI-UHFFFAOYSA-N 409.288 1.210 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740689108 ZUXLJFZJRZVATC-SPEDKVCISA-N 415.538 1.428 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC(F)(F)C1 1740724642 FTPMQQCVUPAILA-BLLLJJGKSA-N 401.483 1.926 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(O)CCSC1 1740896946 OFRIFQVNKBEOOB-SFHVURJKSA-N 422.580 1.728 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740961250 QRQPYEQGCBTETC-IBGZPJMESA-N 417.602 1.384 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1748722387 XLGITTOSFOIIBG-UHFFFAOYSA-N 410.522 1.799 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnn(CCOC)c1 1748788767 DPDIRBBTUGKSLH-LJQANCHMSA-N 408.462 1.751 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748818277 YPJGGTHGQMSNEO-OXJNMPFZSA-N 410.584 1.900 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1748888033 MINUMGBHFPKNMG-IBGZPJMESA-N 414.473 1.321 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2cnccc2OC)CC1 1749015431 VUSTVRRSRCEAQK-UHFFFAOYSA-N 410.522 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCCC(=O)NC 1749128677 YABMSGQRYRFXIK-RKVPGOIHSA-N 404.515 1.173 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC(F)(F)F)C1 1749487153 AZZKXOLNEAKSMB-KBPBESRZSA-N 421.489 1.687 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1749487707 GWWCQGGNUDTSCM-IERDGZPVSA-N 413.526 1.614 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1749573753 JWKYDTJLHGZAAY-KRWDZBQOSA-N 415.519 1.882 30 10 HDEE CS(=O)(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCC(CC#N)CC1 1750217276 HWCZTBZGZVTINS-UHFFFAOYSA-N 420.514 1.687 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1751003618 HDJVDZGPKTVYDX-OAHLLOKOSA-N 418.523 1.370 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760181418 VGIFUUZHOUMOSF-PBHICJAKSA-N 406.483 1.820 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1nncn1C 1760200069 SAZFNMFWKOVPOD-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCCC1 1760205951 NVNBRAKVNRLHHY-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCn1cc([C@@H]2CCOC2)cn1 1760246454 QZPDYUNEJWDDSQ-LJQANCHMSA-N 421.505 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCn2cncn2)CC1 1760254368 VQVYYWKMRBEEAQ-KRWDZBQOSA-N 424.484 1.604 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1760255243 WNAICOZPERCLGV-IIBYNOLFSA-N 415.925 1.894 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1760273999 FFEJKJXBWFXQPI-KBPBESRZSA-N 417.626 1.587 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1760352549 RIARASKHLPDSPX-HNNXBMFYSA-N 410.544 1.611 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC1CCOCC1 1760521292 OWGFFXPFIVJPQB-UHFFFAOYSA-N 416.482 1.171 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)CC1COC(C)(C)OC1 1760525806 SBWZNCYVVZZTSO-UHFFFAOYSA-N 414.510 1.401 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1760544448 AGPHWLUJICWOCZ-HOTGVXAUSA-N 418.523 1.341 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760565654 BYEXWXKQZMBKJN-HNNXBMFYSA-N 406.556 1.869 30 10 HDEE CC(C)(O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1760817073 FJNUUXDGJGAULD-CYBMUJFWSA-N 409.450 1.484 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1 1767013379 PXCZHNSLMZMEHU-UHFFFAOYSA-N 406.494 1.949 30 10 HDEE CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1770268290 SZSPDHVFYDPCSZ-IAFNSTAXSA-N 402.499 1.618 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1771029592 IVGWFGHOVNMHEL-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE C[C@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)n1nc(C2CC2)ccc1=O 1848620648 UEGIINYKGWEHNT-OAHLLOKOSA-N 411.506 1.682 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cc(C)ccc1C)C(C)C)[C@H]1CCN(C)C1=O 1848802616 ULVDLPCIVMAMJO-HKUYNNGSSA-N 421.563 1.852 30 10 HDEE C#CCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851600925 OOSVXXSALIXQRI-IBGZPJMESA-N 400.456 1.791 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)CO2)nc1 1851778878 VLPWAOPYMFCYIW-RTBURBONSA-N 406.442 1.708 30 10 HDEE N#Cc1ccccc1NC(=O)CN1CCN(c2ccc3nnc(C4CC4)n3n2)CC1 1851808276 VFPXIZPQSVRCIC-UHFFFAOYSA-N 402.462 1.634 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2[nH]nc(C(F)(F)F)c2Br)NC1=O 1851879306 HEQXJQINQOQYQL-UHFFFAOYSA-N 408.134 1.126 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CCn3nc(-c4ccccc4)ccc3=O)CC2)n1 1852506709 VNTCREJCZDEHFK-UHFFFAOYSA-N 415.457 1.311 30 10 HDEE CC[C@@H](CN1CCOCC1)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 1852724459 IZWNWMQCUZHFKM-WMZOPIPTSA-N 401.467 1.662 30 10 HDEE Cn1nnc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1C(F)F 1853317315 ABWAYFRSRTYPEN-HNNXBMFYSA-N 421.404 1.561 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1854255608 FPMDYSOPHZPXMO-MJGOQNOKSA-N 402.539 1.099 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)C1 1854525509 NKQKRZVDUABNLB-INIZCTEOSA-N 410.474 1.727 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@@H]4CN(C)C[C@H]43)ccc21 1854813663 JLLAZBRGPCIOLS-VQIMIIECSA-N 417.531 1.783 30 10 HDEE Cc1noc(C)c1CN1CCN([C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1855120615 CJILRRRWXFYPKL-HXUWFJFHSA-N 407.474 1.722 30 10 HDEE CCOc1ccc(O[C@H](C)C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855120659 DOIMGOKGUJUEPD-MSOLQXFVSA-N 414.506 1.511 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn(C(F)F)c2)CCN1CC(=O)c1ccc(C#N)cc1 1855123147 ZHGKAEPKSNEORM-GFCCVEGCSA-N 401.373 1.706 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855836792 BRSASLFQZOYWOE-FUHWJXTLSA-N 401.486 1.835 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(C(F)(F)F)CC3)CC2=O)CC1=O 1855855566 KEHLGZUDGRSVDK-UONOGXRCSA-N 401.429 1.670 30 10 HDEE CCc1nccn1CCC(=O)N1CCN(CCOc2ccc(C#N)cc2)[C@H](C)C1=O 1855928504 JQDAPBYHBCXZMX-QGZVFWFLSA-N 409.490 1.846 30 10 HDEE C=CCCN1C[C@@H](C)C(=O)N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1856034111 KRBQEURMSYHBNP-KDOFPFPSSA-N 419.503 1.181 30 10 HDEE C=CCN1C[C@H](C)C(=O)N(C(=O)Cn2cnc3ncccc3c2=O)c2ccccc21 1856084190 HAYHMZFKQDKTGX-HNNXBMFYSA-N 403.442 1.993 30 10 HDEE COc1ccccc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856433862 YJMLHMIGMLDLJM-OAHLLOKOSA-N 406.442 1.714 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)nn2C)C(=O)C1 1856441499 YONWYHYOOIGGRJ-CQSZACIVSA-N 409.446 1.792 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1857062106 DQQNKYZINMHPHP-MRXNPFEDSA-N 404.492 1.394 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)s1 1858425993 SQXCCSFUBCXTSL-GFCCVEGCSA-N 420.476 1.017 30 10 HDEE C=C(C)Cc1c(C)nn(CCC(=O)NCCS(=O)(=O)N2CCSCC2)c1C 1860305359 XQOHEQUACSNIRQ-UHFFFAOYSA-N 414.597 1.503 30 10 HDEE CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1NC(=O)[C@H](O)C=O 1866089675 YIYSMDMPJVEXMB-GFCCVEGCSA-N 410.224 1.618 30 10 HDEE O=C(N[C@@H](CC[S@@](=O)CC#CBr)C(=O)O)OCc1ccccc1 1883403558 WZOQGDAPSGIYOX-NPMABZOXSA-N 402.266 1.861 30 10 HDEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)nn1C(C)C 1889240859 SRRLFWAWNYNTHS-UHFFFAOYSA-N 401.555 1.644 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2)c1 1889875676 AZAZBOOPYYFPDQ-GOSISDBHSA-N 401.426 1.857 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N=c2[nH][nH]cc2C#N)CCN(Cc2ccccc2)C1 1985196937 WJRILUBUOOCKKY-OAQYLSRUSA-N 410.478 1.811 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1 1987702379 RIAGPTTXVDAORV-CQSZACIVSA-N 410.320 1.910 30 10 HDEE N#CCc1cccc(C[S@](=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074696805 USNMVWKQWIFGOB-HPGBDJQBSA-N 401.444 1.776 30 10 HDEE CN1[C@H](COc2c(N)cc(C#N)cc2I)CCS1(=O)=O 2144912803 OMAAWLBSIJKLIA-VIFPVBQESA-N 407.233 1.158 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2csc(NS(=O)(=O)N3CC[C@H](C#N)C3)n2)C1 2201913635 SZCBIMVWWOPEDO-LLVKDONJSA-N 413.525 1.980 30 10 HDEE CC(C)S(=O)(=O)NC1CN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2235431276 OMOWFSHVRODSHP-UHFFFAOYSA-N 400.375 1.559 30 10 HDEE C=CC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247823457 PARVKJQBRFDBGU-UHFFFAOYSA-N 418.303 1.614 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)NCCC#CBr 2250001346 VHFSFVSOYZRKTQ-GFCCVEGCSA-N 423.329 1.273 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@@H]1CCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2258152470 DUXXMDHBKRIBMH-OAGGEKHMSA-N 409.464 1.066 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@H](N)C#Cc1cccc(Br)c1 2264113566 RSJVXODQCGVORN-RKVPGOIHSA-N 411.296 1.783 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H]3CO)cc2Cl)OC1(C)C 2267358995 JCKSGCKNFMQPHE-SNVBAGLBSA-N 407.750 1.846 30 10 HDEE Cc1nnsc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267412315 KWZYMRPEQWNFKG-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267463876 DENYIANRHHJQQN-XMMPIXPASA-N 407.388 1.484 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270485305 NVXZTGNKARJUEJ-AEFFLSMTSA-N 422.503 1.520 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]3[C@@H](O)CO)sc2Cl)OC1(C)C 2281964887 DVDSHAWUYHUPGX-NEPJUHHUSA-N 401.721 1.659 30 10 HDEE C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342475 HXJINFRGCXWRKR-STQMWFEESA-N 401.359 1.829 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345244 ZBJOQYOIONZJSS-SWLSCSKDSA-N 401.359 1.377 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282411126 SITBCWHDZIDMTF-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](CN)C2)OC1(C)C 2282500045 HMMSHLYRMXOREL-CYBMUJFWSA-N 400.375 1.548 30 10 HDEE CNC1CCC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282509389 JXMCMDARXLIQOJ-UHFFFAOYSA-N 400.375 1.856 30 10 HDEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(N)(=O)=O 2282813569 DHOUYCXJCHLSFQ-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CON(C)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282835200 QKXBBFYCQHXUFA-UHFFFAOYSA-N 402.347 1.222 30 10 HDEE C[C@H]1CO[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876940 KRYPXGZSSRREAE-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE C[C@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878019 ZYNGCEOIFHZCGV-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE CC(C)[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284392941 DHPXXLMGJPFPQT-GFCCVEGCSA-N 403.331 1.682 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1C(=O)O 2284396633 DUBLUQAFXDCQEI-QWRGUYRKSA-N 401.315 1.389 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284414019 DBDRRZAVSWLTHK-NSHDSACASA-N 403.331 1.887 30 10 HDEE C=CCN1C(=O)NC(=O)C(=Cc2ccc(-c3cc(C(=O)O)cc(C(=O)O)c3)o2)C1=O 2293771875 KDAKAAFWKLSZDN-UHFFFAOYSA-N 410.338 1.991 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)NCCC(=O)O)C(=O)[C@@]12C 2297591196 CCXDRVRDUNLDLW-NRFANRHFSA-N 415.398 1.633 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CO[C@H]1C2 2298461242 LFIPUCSNHWQAFU-LRAJWGHMSA-N 420.315 1.810 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cn(C)c2ccccc12 2330770383 CNYLWBBXPCRLGV-UHFFFAOYSA-N 400.464 1.553 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCCOC3CNC3)c2Cl)OC1(C)C 2362387143 UNPQXORHLRBXHJ-UHFFFAOYSA-N 400.737 1.809 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)c1nn(C)cc1I 2365191256 MLBAWZGZOUZXPI-NSHDSACASA-N 409.293 1.502 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2365200131 VUEJQNONYZIYMZ-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2365200877 CFTJLQFABHKHEN-QCUYGVNKSA-N 400.541 1.161 30 10 HDEE CN1CCC(C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)CC1 2365203305 IQBPPCJJTONCPI-HNNXBMFYSA-N 401.573 1.520 30 10 HDEE C#CCn1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(F)cc(F)c21 13794976 WQAATZKZZMTRGV-PWLTZZKVSA-N 413.471 1.856 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc3c(cc21)OCO3 13795172 WBHVVPXYYLHYPY-OUIWWDRTSA-N 421.500 1.306 30 10 HDEE COc1ccc(CN/C(N)=N/S(=O)(=O)c2ccc(OC)c(OC)c2)c(OC)c1 20857195 OEHLJXDOLBELDL-UHFFFAOYSA-N 409.464 1.514 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CCN(CC(=O)N3CCOCC3)CC2)cc1Cl 28899606 NQXCUMYDSNZNMG-UHFFFAOYSA-N 419.913 1.017 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CNC(=O)c2ccsc2)CC1 55215108 ZFMLGFSAXJABLP-UHFFFAOYSA-N 411.443 1.946 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 56020585 BTJGMXXAALUQMD-UHFFFAOYSA-N 413.908 1.777 30 10 HDEE O=S(=O)(c1ccc(NC(=S)NN=Cc2ccccc2O)cc1)N1CCOCC1 254393813 QXNFQUBBUFSMBF-UHFFFAOYSA-N 420.516 1.734 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](Nc3cc(N4CCCC[C@@H]4CO)ncn3)C2=O)cc1 302861649 VMKXKGZKNFNGJK-RTBURBONSA-N 406.490 1.912 30 10 HDEE C=CCN(C(=O)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1nc(C(=O)OCC)cs1 409832552 PGYYTKPLICISGL-GVAFMPQTSA-N 415.471 1.646 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 434945866 GKPWHIFMKWWGSJ-UHFFFAOYSA-N 411.418 1.910 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 439122764 YJMMWWJRLLTJOJ-UHFFFAOYSA-N 423.429 1.677 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)NCCOc2ccc(C#N)cc2)cc1 465572522 YKSZJYUISNYFTB-UHFFFAOYSA-N 402.476 1.523 30 10 HDEE COCCN1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1=O 469691745 PRSWDCSWUURRFR-KRWDZBQOSA-N 402.495 1.511 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@H](OCCN2CCOCC2)C1 478878489 ZSVQACCHFYIZEZ-FPOVZHCZSA-N 401.507 1.911 30 10 HDEE CC(C)c1noc(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 481226882 CFFLWLDKWDJJCY-CYBMUJFWSA-N 405.480 1.480 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(Cc3nccn3C)CC2)cc1 483571644 CMDJUZAEWWATFS-HNNXBMFYSA-N 416.507 1.456 30 10 HDEE N#Cc1cccnc1N1CCN(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 506919280 WHNBOAFTMRRTTF-UHFFFAOYSA-N 422.508 1.953 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4ccc(Cl)c(C#N)n4)CC3)C2=O)n(C)n1 507912460 PEUSHEYXPAWUSP-KRWDZBQOSA-N 413.913 1.966 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 508472407 JZDYWGZHKXOAEC-QGZVFWFLSA-N 419.432 1.793 30 10 HDEE Cc1c(Cl)cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1[N+](=O)[O-] 519721947 GRNMNEODQXTENX-UHFFFAOYSA-N 416.887 1.793 30 10 HDEE COC(=O)CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccc(F)c(F)c1 539239374 VGPSVAOJARVXJP-IBGZPJMESA-N 422.476 1.632 30 10 HDEE CCCCCC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 540340357 GILIGLGKSQWMGF-HXUWFJFHSA-N 405.587 1.840 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544863116 OJIXBTSFTPBURN-UHFFFAOYSA-N 409.471 1.089 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 544864143 SUEOKUDAVDQYEV-UHFFFAOYSA-N 405.524 1.100 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2S(=O)(=O)CC)CC1 545420437 KKXABECYUGLDHX-UHFFFAOYSA-N 412.487 1.071 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(C#N)n2)CC1 546917344 VHOFZVJANMHLKG-KNQAVFIVSA-N 418.545 1.854 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 555270232 ZUMLVVDKRLSGBW-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(OC)ncn2)CC1 577531001 CCMVRPOOORPGQY-INIZCTEOSA-N 417.514 1.703 30 10 HDEE CCOC(=O)N1CCN(C(=O)N2CCC(NC(=O)c3cccc(C#N)c3)CC2)CC1 585959866 VYDWIQJREIQXHP-UHFFFAOYSA-N 413.478 1.647 30 10 HDEE Cc1nc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)sc1C(=O)OC(C)C 586352665 APRIHSFRTOICKW-MHZLTWQESA-N 414.509 1.076 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)CC1 589797985 ZZFQEMNCWHURMX-QGZVFWFLSA-N 405.414 1.106 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 610221418 WIUBCFBIDNWWLQ-UHFFFAOYSA-N 402.476 1.990 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 610980149 PLDBUOUXSBMFAD-HNNXBMFYSA-N 421.519 1.807 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 670197626 DVFVLINFCSGAQW-IEBWSBKVSA-N 404.559 1.770 30 10 HDEE COc1ccc(CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1C#N 747446728 DXTIZSWFRRCNJI-UHFFFAOYSA-N 408.462 1.102 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NCCC#N 756748247 JPHMBLCHGHRYQS-LLVKDONJSA-N 417.281 1.432 30 10 HDEE C=CC[C@@H](CO)NC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 757958521 MHMLMSDEQDAKPY-LBPRGKRZSA-N 419.956 1.584 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)no1 758752400 BSLHESDIANOTJZ-IHRRRGAJSA-N 406.443 1.220 30 10 HDEE O=C(O)CCN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 766813715 UEEMCNHZNUYBFV-UHFFFAOYSA-N 401.444 1.229 30 10 HDEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 769847572 ANDRJMBQYFDTKP-DUMMIQTOSA-N 410.448 1.193 30 10 HDEE C#CCN(C(=O)NCCc1ccc(Br)s1)[C@@H]1CCS(=O)(=O)C1 774164074 OJXNHLHICVDKDY-LLVKDONJSA-N 405.339 1.885 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCCCN(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774200563 NZGYPWVFHQQGIO-GOSISDBHSA-N 407.536 1.349 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 780203609 CUCDDEFCURPLEJ-SGTLLEGYSA-N 402.428 1.778 30 10 HDEE CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)cc1 784128280 NWFWUTAKECQCQQ-MRXNPFEDSA-N 400.508 1.998 30 10 HDEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 785283073 GBPQDAFEKFESHW-VQTJNVASSA-N 420.469 1.380 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(Oc3cnccn3)CC2)C1 787312872 AZVSEQVZJCEOOZ-GOEBONIOSA-N 416.482 1.788 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1Br 788657024 FLCIEXQJCIQCDK-LLVKDONJSA-N 400.254 1.536 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(-c3ccc(OC)cc3)cc2O)n1 790104520 DXPMBZUHGPHISF-UHFFFAOYSA-N 409.446 1.705 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 794579802 OYUAWEQYQOZVBB-SFHVURJKSA-N 421.457 1.440 30 10 HDEE COc1nccnc1NN=C(C)c1ccc(Br)c(S(N)(=O)=O)c1 797403247 FNCDVFILUHLYBP-UHFFFAOYSA-N 400.258 1.731 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(C)oc3C)n2CCOC)CC1 802445761 VVJIKZNBHAUKDN-UHFFFAOYSA-N 402.499 1.226 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C2(C#N)CCOCC2)cc1 805231747 MBRGDKUVUXFGLV-CQSZACIVSA-N 403.435 1.253 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 849502906 GAXOHKYGIICCTG-NHCUHLMSSA-N 407.518 1.970 30 10 HDEE COc1ccc(CN/C(=N/CC[C@H](O)C(F)(F)F)NC[C@H](O)C(F)(F)F)cc1 864236256 DNMVXZQVVNUIGQ-STQMWFEESA-N 417.350 1.967 30 10 HDEE COCCCn1nc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)ccc1=O 1130563547 SAVKQHGXEQAHFZ-UHFFFAOYSA-N 409.490 1.546 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1 1136632852 PMAHPUUMQYTWQS-UHFFFAOYSA-N 403.280 1.218 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2c(O)nc3ccccc32)s1 1137224221 ZOLXPPMCFBKARF-UHFFFAOYSA-N 420.516 1.627 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H]([S@](=O)CC)C2)s1 1148820882 XIXGNMLKQRTJPN-GNKUIDOVSA-N 418.606 1.951 30 10 HDEE C[C@](CO)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 1163973196 GGRSWMIWOSTBOD-PGRDOPGGSA-N 406.442 1.787 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2ccnn2C)s1 1164149456 BMXOCOBAWWSBLF-HNNXBMFYSA-N 410.521 1.089 30 10 HDEE C[C@H](CC(=O)Nc1cccc(-c2cn(C)nn2)c1)/N=C1/NS(=O)(=O)c2ccccc21 1167414135 RVPSIYJXCMIBML-CYBMUJFWSA-N 424.486 1.938 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccc3ccccc3c2)CC1 1175514669 CWIUAOCWSAXYQG-UHFFFAOYSA-N 401.488 1.221 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cnc3n2CCOC3)C1 1180197468 VIYVURLXUIBFNQ-UHFFFAOYSA-N 416.279 1.800 30 10 HDEE COC(=O)C1(C#N)CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC1 1186430807 GBTPCTQHTSRURY-UHFFFAOYSA-N 422.463 1.662 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(C(=O)OC)oc1Br 1192328034 XLZBQNPCJYYHQA-UHFFFAOYSA-N 409.302 1.957 30 10 HDEE Cc1sc(NC(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)c(C#N)c1C 1196293120 HCEFIACHWHUPEY-UHFFFAOYSA-N 410.546 1.942 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCCS(=O)(=O)N(C)C)c1ccc(Br)cc1 1211982729 ZGUOBTIXQPMDSN-CQSZACIVSA-N 423.354 1.324 30 10 HDEE C=CC[C@H](Cc1ccccc1)NS(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1212140755 QXOXAQQMOXONOM-CQSZACIVSA-N 400.460 1.500 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ccnc(F)c3)CC2)C1 1225935868 BJBLAWPYMITRNJ-ZBFHGGJFSA-N 418.473 1.811 30 10 HDEE COc1ccc([C@@H]2CN(C(=O)NCC#CCO)C[C@H]2NC(=O)OC(C)(C)C)cc1 1235580429 FVWLREAGSLEINL-ZWKOTPCHSA-N 403.479 1.693 30 10 HDEE CCOC(=O)c1sc(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)c(C#N)c1C 1264026262 QMIHQWPOSVJDFV-NSHDSACASA-N 407.448 1.455 30 10 HDEE C=CCCn1cc(C(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)nn1 1264874204 QJUIBWJBBQENQW-UHFFFAOYSA-N 403.508 1.959 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ncn(Cc3ccc(C#N)cc3)n1)C2=O 1265539597 NVKCJAGOYAIHIM-UHFFFAOYSA-N 421.461 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1286303773 CWAVPMKUVSEACX-INIZCTEOSA-N 413.478 1.182 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286314776 RHTHARIHCHIGPD-AEFFLSMTSA-N 414.554 1.962 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1286390987 FXNASAZKLVMOAE-AWEZNQCLSA-N 402.467 1.487 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nccnc1C 1286423056 QIGLKLLMEVWKLQ-JOCHJYFZSA-N 408.506 1.734 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(NC(C)=O)cc2)CC1 1286484516 PPSONDUUDGKGEK-UHFFFAOYSA-N 410.522 1.771 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N(C)C)CC1 1286489519 VYGFGNZQYURCKK-QGZVFWFLSA-N 419.533 1.733 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(O)nc2ccccc21 1286726860 JMFZRAALCQNGSX-CQSZACIVSA-N 416.507 1.558 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286950591 YNQZUCOKTNYEHZ-IBGZPJMESA-N 423.521 1.648 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 1288587277 VBTOAWKDBWKYKV-HNNXBMFYSA-N 400.460 1.757 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)C1=O 1289653271 PMNRYXYYKZYHDI-UHFFFAOYSA-N 417.849 1.738 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)cs1 1290435602 VPDXNZCXOJENQX-MAUKXSAKSA-N 404.496 1.168 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3cnn(CCN4CCOCC4)c3)n[nH]2)c1C 1292929355 GEPAODTZZLWKFC-UHFFFAOYSA-N 424.509 1.857 30 10 HDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1294611870 CXOMBRQFJWQATO-KRWDZBQOSA-N 414.535 1.788 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](CO)Cc2cnn(C)c2)cc1B1OC(C)(C)C(C)(C)O1 1297760234 DYSKMEXHBAFYRN-KRWDZBQOSA-N 413.327 1.609 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1299435203 NZSZYCSJCVOIFR-UHFFFAOYSA-N 414.466 1.104 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@@]1(C#N)C[C@H]2CC[C@H]1C2 1299867584 CENTZDIDDJMZNV-SUNYJGFJSA-N 406.464 1.661 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1300380711 GKESVQWHUBOQKA-UHFFFAOYSA-N 410.482 1.190 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1300404422 WAULNPGVWMAKDG-HNNXBMFYSA-N 413.507 1.380 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1300501587 MIPIFBWXKYCJGC-KRWDZBQOSA-N 421.567 1.020 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)C(C)C)CC1 1300725750 JKOMIQBMAOYFBM-SFHVURJKSA-N 402.543 1.088 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1300727311 WGDWJTFILFNYDH-NZSAHSFTSA-N 415.538 1.563 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(F)(F)F)CC1 1301505995 DXGLAHLXXNVSLN-UHFFFAOYSA-N 423.443 1.250 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1301610226 TXZLSSZAVUEQEQ-OAHLLOKOSA-N 406.556 1.597 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1301952119 HEFBATGQZFVTFN-HZPDHXFCSA-N 412.498 1.242 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C1 1302175224 UPEFJBSEUVJAOV-IBGZPJMESA-N 407.478 1.840 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)CCO1 1303001471 AUZIRGYVLLXLRZ-OAHLLOKOSA-N 402.405 1.569 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CC1 1303941603 DNRZKWKAWPBNEG-HNNXBMFYSA-N 411.466 1.269 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@@H](CO)c1ccccc1I 1304874875 HNAOHISVCYNNJJ-ZDUSSCGKSA-N 403.216 1.950 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1309089018 ZBWXKNNSQJEUDF-LBPRGKRZSA-N 419.322 1.685 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCOCC1 1313042463 GVFCEDPEPMZOER-LJQANCHMSA-N 423.510 1.660 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1320961020 JKYUGXPLEYTVRG-ICSRJNTNSA-N 419.497 1.830 30 10 HDEE N#CCN1CCC(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1323755925 GVUNMFNQIHNZGL-GOSISDBHSA-N 408.462 1.115 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(S(C)(=O)=O)cc3)n2CCOC)C1 1340439487 IEHMDQUPQSSOBE-MRXNPFEDSA-N 406.508 1.776 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)cc1 1354103780 FHYMCAYRHKGGFJ-KGLIPLIRSA-N 419.425 1.746 30 10 HDEE CC(=O)N[C@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)C 1354285421 IWIYFWCPZPBORQ-WXNAFCGMSA-N 408.524 1.989 30 10 HDEE COc1cc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)NCCN(C)C)ccc1C#N 1354574018 DKCXOGIRAMYPOC-HXUWFJFHSA-N 406.486 1.812 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1358895268 GKENXISZIWMWQZ-BCOMRZATSA-N 413.547 1.785 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CCC(=O)NC)c1 1358902106 FHQOGOZMLDAGCL-KRWDZBQOSA-N 424.505 1.364 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358928730 JBRPLKUUACKYLT-SFHVURJKSA-N 423.521 1.754 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOc2ccccc21 1358948603 GHPUJXGIXURZIZ-HZPDHXFCSA-N 400.504 1.816 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359303093 DFPNHHMVKGEOCY-MRXNPFEDSA-N 405.462 1.381 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C[C@H]3CCCO3)CC2)CC1 1440378752 JDBPSDJYWVGEJQ-LJQANCHMSA-N 405.539 1.960 30 10 HDEE CCOC(=O)[C@H](C)[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1446765087 SPTINXOOTZTKNV-CABCVRRESA-N 423.535 1.989 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)n1 1448864121 ZIOVMGLQUOLSNQ-HOTGVXAUSA-N 403.401 1.475 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(CO)CCc3ccccc32)c1 1452772793 RXVQIXRWTOAWOY-NRFANRHFSA-N 400.500 1.757 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(CCC#N)CC2)C1 1454912283 YPRZWXNOGSRKJD-KNQAVFIVSA-N 414.506 1.860 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)CCc2ccccc2)cc1S(=O)(=O)NCC#N 1455908874 JRXOYDNTHYHAOS-GOSISDBHSA-N 401.488 1.520 30 10 HDEE C=CCN(C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1456083676 IMYNMYOUAMVVJP-MRXNPFEDSA-N 414.487 1.030 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)Cc2cccc(Br)c2)C1=O 1457101502 ZSKPKQAXGOVISU-UHFFFAOYSA-N 422.279 1.863 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c1 1460620452 LRFUADMUCNWICE-UXHICEINSA-N 419.485 1.821 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 1463518922 MJPMNLLJFSSGAW-QZTJIDSGSA-N 408.520 1.599 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C#N)CCc2ccccc2)CC1 1464940426 STRWELIFAWWCEI-QUCCMNQESA-N 400.523 1.444 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@H]2CCN(CC(F)(F)F)C2)cc1 1470590305 YKWUYXJVDWYOEQ-HNNXBMFYSA-N 417.453 1.697 30 10 HDEE C#C[C@@H](NC(=O)N1CCOC[C@H]1CNC(=O)NC)c1ccc(Br)cc1 1470663694 QSHQCHQUTQXPKA-HUUCEWRRSA-N 409.284 1.463 30 10 HDEE CN1CCN(C2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1471235450 QXJPGBYWQHLZHA-GOSISDBHSA-N 407.559 1.812 30 10 HDEE CC#CC[C@H](CO)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322281 CQTNOVXKQDFDFC-IAGOWNOFSA-N 409.527 1.866 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1475486882 BKTDOYCNEQFZRQ-HNNXBMFYSA-N 402.538 1.683 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1)C1CCOCC1 1476218864 MIKLKLVRBYXXIW-KBXCAEBGSA-N 401.463 1.918 30 10 HDEE C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O 1490767341 XGXVPVCLEBKOOA-QQXKLLMISA-N 403.523 1.618 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1500890931 APZPZARGUVWBJN-UHFFFAOYSA-N 407.522 1.971 30 10 HDEE CCOCc1nnc(N2CCN(C[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1503111527 ARGIMJZUXDDJIE-KRWDZBQOSA-N 400.483 1.629 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1507532820 JCMZQMMZFXHOFL-LLVKDONJSA-N 415.404 1.433 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507630836 INNCFCCZIZHOOJ-HNNXBMFYSA-N 407.540 1.087 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[S@@](=O)CC 1507660519 AABJOSJXVIDJIS-MMTVBGGISA-N 406.552 1.550 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ncccc2C)CC1 1507718593 FIXISMHSLFAICM-JOCHJYFZSA-N 410.522 1.437 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)C(=O)C1 1508071739 FHMJFSGSRFXEJU-UHFFFAOYSA-N 410.478 1.067 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOC(C)C 1509655458 GQMGBIAAYGUADO-UHFFFAOYSA-N 413.482 1.376 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)CC1 1510290912 VLLVYPLSZKYGGT-INIZCTEOSA-N 402.499 1.450 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1513188611 FFMQDJVSLJTPNW-HRAATJIYSA-N 415.542 1.835 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C 1515911464 FNAXUXCPYDQVLF-KSFYIVLOSA-N 407.522 1.825 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCSCC1 1519428119 BSZZQKQJPCUBTO-ROUUACIJSA-N 420.583 1.791 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1[C@@H](NC(=O)OCc2ccccc2)[C@H]2C=C[C@H]1C2 1520271284 OGCBFQYCZFPJJN-VJANTYMQSA-N 418.515 1.821 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)nn1 1526050088 ZVHJGPRZWJILLK-GFCCVEGCSA-N 404.268 1.896 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(S(C)(=O)=O)CC1 1531590974 NAQSTROVNYLQEI-AWEZNQCLSA-N 402.517 1.067 30 10 HDEE C#CC[C@]1(C(=O)N2CCC[C@@]2(COC)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1532350479 ARHXLLPIIBRIHP-NHCUHLMSSA-N 408.495 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1538993689 PLOXEEWXSROBBF-IAGOWNOFSA-N 411.506 1.895 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1539004672 MIXCIGVVSOQZPC-LSDHHAIUSA-N 408.462 1.857 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC([C@@H]4COC(=O)N4)CC3)CC2=O)cc1Cl 1539027419 SJSSOIQUKUVPGT-YOEHRIQHSA-N 416.865 1.912 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1539124808 HZMWITVBVDEFTI-RDJZCZTQSA-N 404.492 1.765 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539126234 ULGYGNVQSYZGRM-HZPDHXFCSA-N 419.551 1.089 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1539225836 QISLSCFIRGQKAW-USXIJHARSA-N 403.483 1.421 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1539239468 LKNWJGRQAMYRAS-KRWDZBQOSA-N 415.519 1.349 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1539369288 IUFQMLBLDKEQJA-MRXNPFEDSA-N 403.508 1.198 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1539437918 KACSWNSPTPYYSD-FDDCHVKYSA-N 409.534 1.803 30 10 HDEE C=C(CC)C(=O)N1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1 1544433756 CSZHTYQRSQFXPJ-UHFFFAOYSA-N 400.522 1.198 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)CCO1 1555994126 FZSASHORFNHPGA-AWEZNQCLSA-N 404.496 1.161 30 10 HDEE CC(C)(CC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1556957821 PWMYSXQXMADVIS-QLFBSQMISA-N 413.540 1.713 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1 1556973547 MNFGDQKISYLJJT-KRWDZBQOSA-N 400.456 1.970 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)c1 1557105107 JRIMIVTXRVPDRZ-NSHDSACASA-N 407.473 1.332 30 10 HDEE N#CCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1557981310 QEWBXXQPKKXANP-UHFFFAOYSA-N 402.296 1.815 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)c1 1558453077 DXFCUDHHPWAWTK-SFHVURJKSA-N 414.487 1.187 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)Cc1ccc(Br)cc1C#N 1583778219 ZDDLLYOMUCZQCC-UHFFFAOYSA-N 405.296 1.938 30 10 HDEE CC1(C)O[C@H]2C[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@H]2O1 1585523617 CSQUCTFASUYMGH-QSPRXWTASA-N 412.446 1.562 30 10 HDEE C#CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1587894041 MYZSMAAESCDMLJ-UWJYYQICSA-N 416.526 1.384 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1588045878 SFMXOTDUTODJFA-KRWDZBQOSA-N 416.551 1.006 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(F)c1)N(C)C 1588128725 QDONXZGSGPQEBS-RTBURBONSA-N 408.481 1.744 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCc2nccn2C1 1588673768 ZNQLWODYNRDZGT-IBGZPJMESA-N 422.537 1.685 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCS(C)(=O)=O)CC1 1588791180 OONHGWTWNFYROY-UHFFFAOYSA-N 407.927 1.398 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC(OCC)C1 1589142467 IEWNPZBGHAUELD-VUQFPLBCSA-N 424.505 1.848 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)CC[C@H]2C1 1589404862 MUICCUYCRBZWJU-KBPBESRZSA-N 410.316 1.892 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1589449727 NYTRHJBBIJXHSA-HNNXBMFYSA-N 400.277 1.754 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1595602286 IWJPHTPGZKYHPL-OXQOHEQNSA-N 407.515 1.095 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)C(C)(C)C)C1 1595715106 SFWOJANTNKWMCC-HNNXBMFYSA-N 420.539 1.730 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)C1 1595721341 FAABTRAFDNNGKD-SJORKVTESA-N 420.539 1.226 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@@H]1C 1595812489 VWFSJEAJXUAVGO-INIZCTEOSA-N 419.551 1.868 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1596696259 WMXOWYSMJCGGQD-OPAMFIHVSA-N 424.505 1.727 30 10 HDEE CC(F)(F)CN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1598033346 IDVZATRTLLZIBN-UHFFFAOYSA-N 414.478 1.305 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)n1 1598154517 FFNNEKAVTALTNH-UHFFFAOYSA-N 415.294 1.372 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1611621151 GQUQWVPLSDQLAY-SJORKVTESA-N 414.485 1.781 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1611815618 JGMRIAOQGGRHDI-CABCVRRESA-N 413.482 1.689 30 10 HDEE Cc1cccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1612234810 CZADAQHPWRMTDK-QGZVFWFLSA-N 412.494 1.620 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1613055102 BKJBVESMIMZPNF-QGZVFWFLSA-N 424.505 1.749 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1620355191 HLLRFHUTTNRPFR-OAGGEKHMSA-N 409.512 1.216 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1623842206 CFPUZVLRJIDLIC-IBGZPJMESA-N 417.469 1.784 30 10 HDEE CCN(CC)[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1Cl 1624904369 ANYPNESMSYUNDE-INIZCTEOSA-N 403.870 1.673 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CCC(=O)NCCNc1ccc(C#N)cn1 1625280279 LPEWHXVYSCCTOU-UHFFFAOYSA-N 403.446 1.568 30 10 HDEE COc1ncc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)cc1C#N 1626397023 QLZSJALFYAFGKN-UHFFFAOYSA-N 406.489 1.989 30 10 HDEE C#CCCOc1ccc(C(=O)N(C)CC(=O)N2CCC(C(=O)OCC)CC2)cc1 1626512178 ZMNAAJIYIJFYSC-UHFFFAOYSA-N 400.475 1.962 30 10 HDEE COc1cc(N)c(C(=O)N(CCC#N)CCN2CCOCC2)cc1Br 1627067862 HBEZWBDKQNNQEF-UHFFFAOYSA-N 411.300 1.728 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCC(=O)N=c1cc[nH]cc1 1627898653 PETNBPLZXMRUKL-MRXNPFEDSA-N 403.483 1.926 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 1628701245 FMTCSFTZIJCTMM-MRXNPFEDSA-N 408.524 1.330 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(Cc3nn[nH]n3)c2)s1 1629344046 QNUHKGIHZBHXJA-UHFFFAOYSA-N 418.504 1.498 30 10 HDEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@@H]1N1CCN(C)CC1 1630635256 FEUQWGYZXJWWTP-KXBFYZLASA-N 422.526 1.221 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(=O)N(Cc3ccccc3)C2)c1 1630692723 BIXPSLRWQHMVNM-UHFFFAOYSA-N 401.419 1.565 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CCCN1C(=O)OC(C)(C)C 1635430002 WINDNJXHMLTORX-GUXCAODWSA-N 410.536 1.958 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NCC2(C#N)CCC2)c1 1638805732 CTBLJMYIYMUDSW-UHFFFAOYSA-N 406.508 1.197 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 1640012625 DRGPBFFXKXCYMX-UHFFFAOYSA-N 409.552 1.596 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 1640228860 AAASXAGISCKICV-MRXNPFEDSA-N 418.437 1.477 30 10 HDEE COC[C@@H]1CCCN1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1640831071 BJHNMIPGPIMFSF-KRWDZBQOSA-N 406.508 1.101 30 10 HDEE CC1(C)C[C@H](O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1642803209 LXQRLVJKZYLHTG-HNNXBMFYSA-N 407.536 1.905 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1644229269 GBBMYVKKGBEMQQ-HNNXBMFYSA-N 423.510 1.306 30 10 HDEE C[C@]1(C#N)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CCO1 1648462576 AVIIHXVJTBLGQY-FQEVSTJZSA-N 420.535 1.804 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1Br 1650788077 HZYCBCVMMWYTBF-GOEBONIOSA-N 408.252 1.206 30 10 HDEE C=CC[C@@]1(C(=O)NCc2nnc3n2CCN(C)C3=O)CCCN1C(=O)OC(C)(C)C 1651252186 RWKXTHCMHXLMRO-FQEVSTJZSA-N 418.498 1.326 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOC(F)(F)C(F)(F)F)cc1 1651378403 NJBKPDXMIFSSNB-UHFFFAOYSA-N 401.313 1.124 30 10 HDEE N#Cc1c(NC(=O)CN2CCO[C@H](Cn3ccnn3)C2)sc2c1CCCCC2 1654291243 OKKWSZIMCALFJR-AWEZNQCLSA-N 400.508 1.820 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1C 1659672376 IXYXAMWZGRTXNR-LLVKDONJSA-N 408.885 1.920 30 10 HDEE N#Cc1ccc([C@@H]2CN(C[C@@H](O)Cn3c(-c4ccccc4)noc3=O)CCO2)cc1 1660382713 ZHXPHASXHRYMFV-UXHICEINSA-N 406.442 1.809 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)cc1 1663238383 NQCPAHDODDNQHE-LJQANCHMSA-N 414.483 1.765 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CC1CN(C(=O)OC(C)(C)C)C1 1664295471 OBUWSQYQICHPBG-UHFFFAOYSA-N 402.513 1.460 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C1CCOCC1 1664579724 GCLFDZAOSJEEKI-NSHDSACASA-N 414.281 1.738 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1667239578 CIIHUVNVWKQCIP-LBPRGKRZSA-N 422.326 1.023 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)c1ccccc1 1669959027 KRAWQSHURUJFRU-QGZVFWFLSA-N 419.441 1.676 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)nn1 1676054596 XAFOSFLICWLECN-SFHVURJKSA-N 411.466 1.804 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)cc1 1682410105 NZSHZZBFIGSPSW-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE COc1ccc([C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccco2)cc1 1683221543 RPMZMCMLVHIHME-SFHVURJKSA-N 421.413 1.778 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCO2)c1 1683847652 XSOGPQUXFMHEEH-AWEZNQCLSA-N 405.398 1.618 30 10 HDEE CC(C)(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1685002925 MLVYATWRXSZXCX-SCLBCKFNSA-N 414.528 1.260 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)F 1690102536 NYLWGRDVWSVNMM-HNNXBMFYSA-N 419.432 1.965 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(OC)nc2)CC1 1690128386 CJOHLXYWXWQQFN-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1690319394 LJJQXYDHDFTXKA-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1697685566 OLIJCKNWWAPGQI-DYEBBVLBSA-N 414.510 1.933 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1705486989 PWRWRSSFHHZOEJ-OAHLLOKOSA-N 412.519 1.843 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1705493273 FVIIJGPLUQPYDJ-GJZGRUSLSA-N 404.515 1.992 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705536365 NZFAFRBQULIYRG-LJQANCHMSA-N 421.505 1.271 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1CCS(C)(=O)=O 1705621130 SGTKGEVFHQYOLC-QGZVFWFLSA-N 406.483 1.953 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC[C@H]2CCCCO2)CC1 1705632519 SOQCTLOXWRYKMW-GOSISDBHSA-N 402.543 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1705652462 AHUDWOAOODQGFU-GOSISDBHSA-N 408.462 1.608 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC(CC(=O)NC)CC1 1705662655 GJOJDLJRKJDPRB-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@]1(OCC)CCOC1 1705893958 WYEHDMDNOPUVDB-RXVVDRJESA-N 416.526 1.835 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)C1 1705925266 NCYLXGVUUYLONW-GJZGRUSLSA-N 407.496 1.306 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1706072252 BAIMIQYPOIYTBC-GDBMZVCRSA-N 401.515 1.664 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)C1 1706516500 CIVVUIZLTNHFGO-AEFFLSMTSA-N 400.531 1.631 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2nccs2)CCOC1 1706679960 NSAOVBRYFCUSHW-HNAYVOBHSA-N 418.523 1.747 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1N1CCOCC1 1708175970 PZRRCSCZQUWYRU-APWZRJJASA-N 423.521 1.062 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1709488509 CHRWZRLVLVMRES-OTSFIGDKSA-N 415.498 1.380 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC[C@@H]1OC 1722353504 PHIIYWMVELKKTB-YOEHRIQHSA-N 408.462 1.715 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CC1CCN(CCN(C)C)CC1 1722354778 YMWRFANXKSSHKF-UHFFFAOYSA-N 415.611 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CC=CCC1 1722374698 BVPKDDIIJORVSL-UHFFFAOYSA-N 423.542 1.683 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722431276 IYTUQOXHOCQFAP-PMACEKPBSA-N 402.587 1.904 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@](C)(OC)CC1 1722691832 AOUYSCQPBNOWLB-NRFANRHFSA-N 420.558 1.894 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCCN(C(C)=O)CC1 1722696503 AMYYNHXPKNYCFB-UHFFFAOYSA-N 421.505 1.787 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](C(=O)OC)C1 1722701275 LLFLGZLPNZWVHT-HNNXBMFYSA-N 403.508 1.622 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NC)C1 1722709296 MVISZEJLCHEIPG-OAHLLOKOSA-N 404.515 1.068 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)C1 1722711800 WSEPVSATTIGNNY-ZBFHGGJFSA-N 423.539 1.928 30 10 HDEE COC[C@H](F)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730494806 SDQWBNMRQRBBFH-RHSMWYFYSA-N 419.530 1.795 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1740577124 SIKXQPQNFBRYKI-UHFFFAOYSA-N 422.537 1.629 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740593441 DTVNOMAGLJAEKW-HXUWFJFHSA-N 421.549 1.420 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncccc2C)CC1 1740689287 UOYUWCCRXFITSP-UHFFFAOYSA-N 409.538 1.703 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCn2cccn2)CC1 1740704921 WLHOISXTTYVMDH-UHFFFAOYSA-N 418.505 1.593 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740715298 VLDVTEOGKCOHLH-IBGZPJMESA-N 400.508 1.681 30 10 HDEE C=CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740881626 MHKBNEIBQZOBDF-VQIMIIECSA-N 412.556 1.908 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cncn1 1740914308 OXAZCWWGWYKNQL-SFHVURJKSA-N 422.493 1.722 30 10 HDEE Cc1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742808611 PJTVXOLBBWYZFT-HNENSFHCSA-N 414.416 1.954 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1743893565 BDUPGVJECKHEQC-GDBMZVCRSA-N 401.515 1.664 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NCC(F)F 1744677181 GMIQCLWEVFZUNZ-UHFFFAOYSA-N 417.464 1.810 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1747851272 UODGJXIQJWCTAG-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1748751317 FVEODEUTQYYFQV-MRXNPFEDSA-N 419.551 1.185 30 10 HDEE C#CCCCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1748763797 AHWHNRMAHATUOW-QFIPXVFZSA-N 415.538 1.792 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1748804435 HRKPZYLEPVLEHT-QFBILLFUSA-N 416.547 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1748843014 XHYJDKLCFYKGRE-UHFFFAOYSA-N 418.457 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccccc1)N(C)C 1748852222 ZNZPWNGMTHMXDB-FQEVSTJZSA-N 404.518 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(C)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1748949496 BRVSHQXRKUUNSN-SQNIBIBYSA-N 419.526 1.697 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[C@@H]2C)CC1 1748979960 UVIQCHHONMWQQH-WMZOPIPTSA-N 413.547 1.760 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2noc(CC)n2)CC1 1748994443 HNUBNZSJTUBTGD-UHFFFAOYSA-N 423.525 1.083 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(N)=O)nc2)CC1 1749292505 RNRSPYMDXMQMRN-HNNXBMFYSA-N 400.483 1.701 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(c2ccnn2C)CC1 1749676194 IEOKQMDQDCBNBQ-UHFFFAOYSA-N 420.521 1.684 30 10 HDEE COCCOCCCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1750088362 JVMKTGKMEJMEHB-KRWDZBQOSA-N 400.483 1.821 30 10 HDEE COCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1750112552 XGOPMAZPHZBLMI-KRWDZBQOSA-N 405.430 1.388 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOCC(F)F)C1 1750378727 LLGIMTKCIYGTCK-KRWDZBQOSA-N 400.405 1.514 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)n1 1751843072 BYHUYYNVCHMAHJ-FQEVSTJZSA-N 408.466 1.354 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1760099550 IIDRABWAMKNWNS-UZLBHIALSA-N 424.567 1.744 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccnc3)n2CC(=O)N(C)C)c1 1760125524 IINNEZANCSAQNL-UHFFFAOYSA-N 417.473 1.485 30 10 HDEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760137329 QSWNKQSKRFYMSO-UHFFFAOYSA-N 412.538 1.666 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC(=O)NC(C)C 1760147436 RMETZDQNPHPFBN-UHFFFAOYSA-N 417.535 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)nn1C 1760223992 UEHFLSCGMRQAKV-UHFFFAOYSA-N 421.530 1.823 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(O)CCSC2)CC1 1760269717 CEODLJSZZIRVLW-FQEVSTJZSA-N 405.568 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760548699 NGNAGAJREUOPDE-KSSFIOAISA-N 411.528 1.423 30 10 HDEE CC(C)OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1761313514 DQQVWIYGTVCSAC-IAGOWNOFSA-N 401.515 1.221 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cc2F)CCOC1 1765921753 HCPQCJSDYSTMSU-OXJNMPFZSA-N 419.432 1.985 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1=CCCOC1 1766408572 GJFAYMICPOQWQW-MRXNPFEDSA-N 424.509 1.538 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1767059064 RLAKASNNAGKWPY-MLHJIOFPSA-N 404.515 1.215 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767244855 LSVCIBMRGNAFOC-HMWBCQRISA-N 400.483 1.545 30 10 HDEE CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)ON1C(=O)c2ccccc2C1=O 1772790156 KMOOHOPKHJVKIZ-QFIPXVFZSA-N 419.393 1.740 30 10 HDEE N#C[C@H](COC(=O)CN1CCCS1(=O)=O)Cc1ccc(Br)cc1 1850928510 YMOBWQAQWZPSRU-CYBMUJFWSA-N 401.282 1.710 30 10 HDEE Cc1ccn2c(=O)cc(COCCN3CCN(c4ccc(C#N)cn4)CC3)nc2c1 1852262882 YPPXTLLZDZNTTP-UHFFFAOYSA-N 404.474 1.608 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CNC(=O)c3cc(-c4ccc(OC)cc4)nn32)CC1=O 1852763381 UIQQWLCYKVWOGX-IFXJQAMLSA-N 410.430 1.378 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)n1 1853356980 CDSUCFBXFSYKRU-UHFFFAOYSA-N 417.469 1.624 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)C1=O 1854179233 NWMFHLWZBINBOC-RBUKOAKNSA-N 401.482 1.913 30 10 HDEE C[C@@H](CC(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1ccnc1 1854340682 CWFCSSQGISXUCI-MAUKXSAKSA-N 408.462 1.382 30 10 HDEE Cc1oncc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854354171 GIFQOLNKNYSEBT-KRWDZBQOSA-N 411.437 1.553 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)[C@@H](C)C2=O)cc1C#N 1854848940 WMDWJSYETDNZCL-LBPRGKRZSA-N 417.409 1.822 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 1855853430 HBGWWODSMXBECH-OAHLLOKOSA-N 423.922 1.724 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(Cl)n3)C2)CC1 1855890154 SZUGQTXYCDZCIO-OAHLLOKOSA-N 424.892 1.813 30 10 HDEE CN(CC(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O)C(=O)OC(C)(C)C 1856310670 ZIPFLTUENVXAJP-UHFFFAOYSA-N 416.478 1.475 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)C1 1856363231 WZEKAFQKEJSOMF-KRWDZBQOSA-N 414.462 1.086 30 10 HDEE Cc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856653632 ZBXUAEJHMXKBFF-QGZVFWFLSA-N 405.476 1.450 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3ncccc3n2)C1)[C@@H]1CCN(C)C1=O 1857236523 HRWKBNRMJRJXIT-DNVCBOLYSA-N 407.474 1.337 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)[C@H](C)C1=O 1857471462 KXWJEFNXRXMNNO-OAHLLOKOSA-N 402.476 1.587 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1857498153 BAOAPPRLZNTJLX-GOSISDBHSA-N 403.504 1.538 30 10 HDEE C=CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 1861775111 UKLRDVORBXQWFW-CYBMUJFWSA-N 413.927 1.935 30 10 HDEE CN1CCC(=NC(=O)c2cc(=O)c3cc(I)ccc3[nH]2)NC1=O 1866530216 NSWMILHIIOJQCV-UHFFFAOYSA-N 424.198 1.717 30 10 HDEE Cc1cc2cc(CC(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)ccc2nc1O 1866916414 WQQNOUXQZLTXCV-IBGZPJMESA-N 404.426 1.779 30 10 HDEE N#Cc1ccc(COc2cn(CCOCCO)c(CN3CCOCC3)cc2=O)cc1 1870350119 QMDFQBHUJNZSQY-UHFFFAOYSA-N 413.474 1.140 30 10 HDEE COC(=O)c1sc(C2=C(N)N(C[C@@H](c3ccc(O)cc3)N(C)C)CC2=O)nc1C 1872796121 MJZPRZSBRFKDMQ-AWEZNQCLSA-N 416.503 1.759 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)CC1=O 1872917764 KFQWDRJOUWQWOS-INIZCTEOSA-N 415.490 1.915 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874499257 LWUCPTQURRHREG-QGMBQPNBSA-N 408.440 1.539 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1899097942 ATCPWDPEODBBAD-LXTVHRRPSA-N 410.320 1.813 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCNC(=O)OC(C)(C)C 1962800467 MDRDGYNQXGDUHE-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 1984852336 UPNFNJRCXQXJNK-MSOLQXFVSA-N 417.506 1.995 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985096780 WPKFATSGCIPCHU-JLNYLFASSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162915863 NTAKXLKBOGEJFC-AREMUKBSSA-N 414.509 1.546 30 10 HDEE C=C(CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)CNC1CC1 2165101057 ZMAVBUJTBKEVEU-HHHXNRCGSA-N 401.577 1.707 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[S@](C)(=O)=NS(=O)(=O)N1CC(C#N)C1)C(C)(C)C 2174781069 BNHJMVWYROKJQN-SRGMZFCMSA-N 422.573 1.724 30 10 HDEE CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1(C#N)CCCCC1 2181055262 GTAVKUWLGKJAJF-CQSZACIVSA-N 401.529 1.999 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](C)S(C)(=O)=O 2186603138 YEGADUXSWOATEH-GHMZBOCLSA-N 402.347 1.395 30 10 HDEE CC1(C)OB(c2cscc2CN2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2227242827 LAJHCDDTIPFNCQ-CQSZACIVSA-N 403.400 1.967 30 10 HDEE Cn1cc(C(=O)NCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243388274 IXCBDLPGYCMFEK-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243675367 VTXYYEACPUYDPH-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)CC(CO)C1 2243701925 IVBFETZTRSAFDM-UHFFFAOYSA-N 410.320 1.956 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267367896 AJQBTUMEALGPED-DEOSSOPVSA-N 409.360 1.480 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CN(C)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282316666 GKPSGEPRPAALDM-STQMWFEESA-N 400.375 1.584 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282321175 TVXROEPEDJXJGD-VXGBXAGGSA-N 404.338 1.416 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](N)CC1 2282325960 LXMPFMAROCWAOO-BETUJISGSA-N 400.375 1.904 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](O)C(F)(F)F 2282331725 RDEBTTOCPFQYFC-PSASIEDQSA-N 415.264 1.637 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(C)(CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282497659 SYXOYGNKFXUMHI-UHFFFAOYSA-N 401.359 1.667 30 10 HDEE CCC[C@](C)(O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503066 UCCCYEVYHMICIB-INIZCTEOSA-N 404.363 1.413 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(CCCO)CC2)OC1(C)C 2282505298 BFOKXBLVUVQJQM-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](C)(CO)C1 2282827612 AVBPJNPIYSBFEM-KRWDZBQOSA-N 401.359 1.749 30 10 HDEE CCO[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282839448 DJURBPCXEHGJKP-HAQNSBGRSA-N 402.347 1.429 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cc(Cl)cs1 2282841107 RXRFGSKDVAUWMU-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CN(C[C@]1(F)CCOC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853762 INMPUAZAYZNNBH-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE CC[C@@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284403587 RHVHHRZXNBVMQJ-NSHDSACASA-N 403.331 1.827 30 10 HDEE CO[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)CC(=O)O 2284455761 MEAWIMXRFUWLPT-SECBINFHSA-N 403.693 1.920 30 10 HDEE COC[C@H](ONC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284457805 MFEBWIIGJBHNJL-VIFPVBQESA-N 405.665 1.462 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccnc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296154717 XTIFYROYULNBNF-QGZVFWFLSA-N 413.386 1.420 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)C1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365170051 GPIMJDJMDCNCLM-ZIAGYGMSSA-N 401.525 1.636 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CNC(=O)OC(C)(C)C)C1CC1 2365205341 AHGUHJWTTMCQAC-DNVCBOLYSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367813387 CWNWPLGANKNASL-ZJIFWQFVSA-N 400.541 1.339 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367815041 CUZOHPKHWMFKMX-CVEARBPZSA-N 400.541 1.292 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367816467 JTQDZVPVSVZJQZ-VKJFTORMSA-N 400.541 1.306 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccccc3O)n2)o1 59883688 RFDQYMBLYFGKMN-KEBDBYFISA-N 416.467 1.700 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 430383503 IDXCFBZJJQJSSD-OAHLLOKOSA-N 405.476 1.388 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]2C 440150941 NZKHUVRBMPITTQ-AWEZNQCLSA-N 416.507 1.810 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1 443337453 SWZLDXXGCXJYRD-UHFFFAOYSA-N 416.453 1.683 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)ccc1Cl 443738701 UNGDQJSPZJREFH-LLVKDONJSA-N 420.921 1.386 30 10 HDEE N#CCCCn1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c2ccccc21 443923860 ZDEFTTYCYDETLR-UHFFFAOYSA-N 423.517 1.562 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)cc1 461205047 ZJIBLSGKXLTMKV-UHFFFAOYSA-N 422.466 1.985 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCN(C(=O)c3cccc(N)c3)CC2)ccc1F 464553550 JOXMWTJJZKXUBY-UHFFFAOYSA-N 402.451 1.816 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cnn(-c2ccccc2)c1 464820908 XUXRLTVNLZWTRR-INIZCTEOSA-N 402.462 1.954 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)C1=O 467679550 ZFXUOSKWOWUVLJ-ZWKOTPCHSA-N 404.486 1.895 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 469405984 NLBLICUPFHAIAQ-MBOZVWFJSA-N 401.511 1.379 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2cnn(CC(=O)NC3CCCC3)c2)CC1 475816656 ZLEAUJKHQIBGAL-UHFFFAOYSA-N 422.493 1.563 30 10 HDEE CCNc1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 493251794 GCVKEXOIKDGNQU-UHFFFAOYSA-N 405.505 1.593 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C(=O)c3ccc(O)nc3)CC2)CC1 498971475 ANWMCAHNJFTGSY-JQHMZKTJSA-N 413.522 1.864 30 10 HDEE Cc1noc(CN2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 500326519 VKDWVKMRAZYIFE-UHFFFAOYSA-N 400.508 1.946 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507298148 DIGRWOKQWGWWHG-HXUWFJFHSA-N 409.483 1.166 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508503056 DYDMSRMAZUADOW-KRWDZBQOSA-N 419.551 1.851 30 10 HDEE CCc1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1 517405167 CEKSWUOOXOXKIW-UHFFFAOYSA-N 419.532 1.793 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1Cc1ccccc1 518596008 PSOHBLBPGJIQFZ-UHFFFAOYSA-N 411.433 1.485 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(Br)c2)C(=O)O)cn1 527322230 QHTREFYHNAJPBU-AWEZNQCLSA-N 410.249 1.690 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)nc1 531884486 UDJHAPMOHICPOX-QGZVFWFLSA-N 409.511 1.665 30 10 HDEE CS(=O)(=O)Cc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 546222395 ISAHVTNGDMBWNJ-UHFFFAOYSA-N 417.466 1.991 30 10 HDEE Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546925351 IGLRVAMEDCTTKC-UHFFFAOYSA-N 414.491 1.572 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2cccc(N3CCOCC3)c2)CC1 558840968 YNMOVGBMJCTIAQ-UHFFFAOYSA-N 419.485 1.682 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCO2)CC1 579864192 SCTWBOASJBKJNN-IBGZPJMESA-N 410.522 1.548 30 10 HDEE C[C@H](C(=O)NCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)n1cnc(C#N)n1 585749334 IYOMPKBPJPRKHS-SECBINFHSA-N 401.370 1.449 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccccc2CN2CCOCC2)CC1 589842832 UHMCNGWDQDKARE-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE C=CC[C@@H](C)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 604881128 YIJYBCMYNMNDMH-LLVKDONJSA-N 403.298 1.883 30 10 HDEE N#CCN1CCC(NC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CC1 611624175 QMENKFJTAJZOAA-SFHVURJKSA-N 405.524 1.590 30 10 HDEE COc1cc(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)sn1 717661507 FOQYVHZVYAXKOG-UHFFFAOYSA-N 417.343 1.386 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1=O 729306554 RXNYYYCBBTVKMQ-UHFFFAOYSA-N 408.458 1.730 30 10 HDEE CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 735840527 UOKXLJVXECHVSN-UHFFFAOYSA-N 402.451 1.848 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 737305260 GCECHBCEBTYTTN-YPKPFQOOSA-N 414.315 1.426 30 10 HDEE COC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)[C@@H](C)C2)cc1 742399529 ZTFDWFBAYAMXHS-AWEZNQCLSA-N 414.487 1.707 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(=O)n(Cc3ccccc3)c2)CC1 743106582 IWRICAZPZSTRBV-UHFFFAOYSA-N 409.490 1.348 30 10 HDEE C#CCNC(=O)c1ccccc1NCC(=O)Nc1cc(S(C)(=O)=O)ccc1F 749603403 IGILTYFSHAHYGH-UHFFFAOYSA-N 403.435 1.643 30 10 HDEE C#CCN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 754273340 BBOCCGRDLWBSEU-HNNXBMFYSA-N 402.472 1.102 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2)n1 760125618 HYWOVRSGKICGPT-HZPDHXFCSA-N 415.498 1.376 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)[C@H](C)C1 760750658 SSQOIJJFYIFHCN-DCKJRJMFSA-N 421.523 1.584 30 10 HDEE COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)oc1C 763204910 CMWHQOWQULYOLL-UHFFFAOYSA-N 409.398 1.753 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)cn1 765546802 GSMRZWYENUKJBA-OAHLLOKOSA-N 414.491 1.624 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767881827 OPVOYSOEFHNHJP-UHFFFAOYSA-N 424.551 1.690 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)c2nccn2C)C1 770868426 JPEWTGUUZLLVBR-KBPBESRZSA-N 419.463 1.017 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 774248421 RUIOUOWJLFKCQG-GOEBONIOSA-N 402.476 1.553 30 10 HDEE C#Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 780137629 OLDREOFNNNKUHJ-UHFFFAOYSA-N 409.467 1.210 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)nc12 782304434 ASLXDQDHZMKXSG-MRXNPFEDSA-N 407.386 1.781 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2ccc(C)n(C)c2=O)C1=O 782985554 IILQWHXLQAEWHV-KRWDZBQOSA-N 423.498 1.833 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])n1 788695480 PKDRKTSUMSHDRW-UHFFFAOYSA-N 412.855 1.915 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)Nc1ccccc1SCC#N 790673437 VGPJROHPVURVPO-IBGZPJMESA-N 401.444 1.397 30 10 HDEE COC(=O)c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1OC(C)C 799252866 MRWUXJCKZIXKOP-HNNXBMFYSA-N 414.462 1.398 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 800011942 DYVHIFLVZVZKSA-LBPRGKRZSA-N 406.407 1.388 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2COC3(CCC(C)CC3)O2)cc1C#N 806705570 ZNXKIYCQMDJFQY-XZSJUEPFSA-N 401.463 1.621 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccccc2S(C)(=O)=O)cc1 810942165 XZLVBQPSTCBWLE-UHFFFAOYSA-N 407.469 1.359 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=S)Nc2ccc(C#N)c(Cl)c2)CC1 811716305 IURFIOZXHUBWPM-UHFFFAOYSA-N 401.945 1.723 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)c(C)c1 1084245828 SHFBPICTZFBKPY-UHFFFAOYSA-N 412.479 1.881 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@@]12COCCN1C(=O)COC2 1132364457 IHMMESDNJANVHF-SFHVURJKSA-N 414.380 1.628 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(C(=O)N4CCOCC4)cn3)CC2=O)cc1 1132863568 FDWUTSDJQWLYMV-KRWDZBQOSA-N 419.441 1.417 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCSC[C@H]2c2ccccc2OC)C1=O 1133425407 PGQGZIMAPKONEL-HNNXBMFYSA-N 417.487 1.679 30 10 HDEE COc1cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)ccc1C#N 1140137989 OJHYAHLQLHCVJA-MRXNPFEDSA-N 414.849 1.510 30 10 HDEE C#CCOc1ccc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 1158447192 FDSCQEGHZWKUKL-UHFFFAOYSA-N 412.442 1.771 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1159634658 PKRAGOQZYNSENW-HNNXBMFYSA-N 408.277 1.613 30 10 HDEE C[C@@H]1[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1163878550 MZPDHEOBFNUDJP-RJZRQDKASA-N 403.483 1.544 30 10 HDEE Cc1ccc(C(=O)NCc2cc3c(nc2O)CCCC3)cc1S(=O)(=O)NCC#N 1174753261 FAUKFHVNSHKZHB-UHFFFAOYSA-N 414.487 1.706 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)COc2ccccc2)C1 1177755181 YTJIUDHADIXTPE-IEBWSBKVSA-N 403.548 1.517 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 1182768181 DVWHQTZIIDAONV-UHFFFAOYSA-N 410.459 1.095 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1191329884 KXJNBVFOLFICJD-UHFFFAOYSA-N 402.476 1.132 30 10 HDEE C=CCCSCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1212428690 GWABKNGXGFYZQT-UHFFFAOYSA-N 420.578 1.295 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113571 ZWAWFGVKRRFXAM-WOJBJXKFSA-N 419.485 1.710 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@H](Nc3ncccn3)C2)C1 1233853389 PHIOKRJTEQWFPH-SOUVJXGZSA-N 401.471 1.431 30 10 HDEE C#CCN(C(=O)NCc1nnc(O)n1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1235606716 IOPPSJFRYAYAQJ-UHFFFAOYSA-N 418.498 1.863 30 10 HDEE COc1cccc2[nH]cc(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c12 1248619931 HRVSDKDMMDBQFS-LIRRHRJNSA-N 402.476 1.299 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](CCN(C)C)c1cccnc1 1251170935 KDEDCIUMPDFGAI-AEFFLSMTSA-N 408.510 1.656 30 10 HDEE COc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1C#N 1254695103 PWZWTTNPSCTPOT-NZSAHSFTSA-N 414.506 1.908 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCC1(O)CCOCC1 1286403680 OGMRIOZBFWJWMW-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)C(C)C 1286516668 KHHJWJWHSRZHCT-DNVCBOLYSA-N 424.571 1.043 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CCOC 1286552762 ATUSAXJOZWNTSS-JZXOWHBKSA-N 402.499 1.577 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286701568 YPSUOXRSPYDKMY-KRWDZBQOSA-N 410.526 1.929 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nncn1C 1286769361 SVRIXGYPTIYWAD-UHFFFAOYSA-N 407.482 1.332 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)S[C@H](C)C1 1286813743 ATVNDIZLNKVRGB-ZIAGYGMSSA-N 415.585 1.347 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1286821444 LEKYCEUHITWYHI-QAPCUYQASA-N 422.526 1.816 30 10 HDEE N#CC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(F)(F)F 1289058659 UQRLSCWCVLQWFD-LLVKDONJSA-N 411.427 1.272 30 10 HDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)n1 1289984119 ZDYDIEDDIYYOGZ-LJQANCHMSA-N 424.553 1.403 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)nn1 1295406609 VDWNOIHGBJQOPI-KRWDZBQOSA-N 402.886 1.492 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1300381081 NQOYEHNEEOYTSY-CQSZACIVSA-N 419.507 1.667 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H](C)N1CCN(CC)CC1 1300440910 AWJAOOUVQCREHA-KRWDZBQOSA-N 411.510 1.949 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)OCCO2 1300512108 NKCUQGKLROFNDZ-KRWDZBQOSA-N 410.474 1.894 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)COCCO1 1300553358 FLLXESWNEPVUCE-NRFANRHFSA-N 401.511 1.465 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC(C)C 1300559271 MZWGXFSCWUVBTI-OAQYLSRUSA-N 401.511 1.308 30 10 HDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1300722215 WEZRTCDUEHRWBV-WXLSXGNJSA-N 412.560 1.832 30 10 HDEE C=C(C)Cn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1300970651 ZKKKYXGSHYFEHU-SFTDATJTSA-N 416.526 1.992 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301196506 CQVVXRGUOGFTAC-HUUCEWRRSA-N 424.571 1.350 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCC(=O)NC 1301365763 XVRSUSXSYRQNKN-UHFFFAOYSA-N 402.524 1.791 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 1301474660 FAHWZDXRXQXALU-UHFFFAOYSA-N 409.494 1.836 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCO[C@H]2C)C1 1301536034 RHNPTGPABWNJCV-XPIZARPCSA-N 421.542 1.518 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1304489819 BTCWQFBXNRVUEJ-UHFFFAOYSA-N 400.485 1.312 30 10 HDEE COc1ccc([C@@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)cc1 1308006906 RRAIHYPZYBFSBN-SFTDATJTSA-N 400.523 1.761 30 10 HDEE C=C(C)C[C@H](NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1)C(=O)OC 1308902858 UOKUGSYFLAEQMD-IBGZPJMESA-N 423.535 1.896 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1 1312171232 MNCGPNSKMKZEAK-UHFFFAOYSA-N 422.570 1.600 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1316537694 DUJRWJYJKJRLQK-ZDUSSCGKSA-N 416.367 1.926 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2=O)cc1 1318204553 HJBQOSYXFNKDTO-AWEZNQCLSA-N 422.407 1.971 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1nnc2ccc(C(F)(F)F)cn12 1330269386 CGWWRHDACXOISL-FOCLMDBBSA-N 408.340 1.281 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC([C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1332991263 GCSJWHPACUNBJZ-KUJSBWEGSA-N 402.539 1.389 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2COc3c(F)cc(F)cc3C2)n1 1346641371 WRKZRLBCKNGMMK-QGZVFWFLSA-N 404.417 1.956 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)cc1 1356326822 AZEPDJRGQVIDEQ-SFHVURJKSA-N 413.474 1.851 30 10 HDEE N#C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(OC(F)(F)F)cc1 1358037638 XECAZVRYXWUTTQ-AWEZNQCLSA-N 410.356 1.849 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1358923832 CPJUKJJAGIYQIW-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE C#CCCCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1358936146 DYYRPIMNLPUCNR-NRFANRHFSA-N 403.527 1.648 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C[S@@](C)=O)cc1 1358999059 BNTRFDVCYNZBFW-MUUNZHRXSA-N 401.536 1.803 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)n1 1359013414 XNHDAZRTQOWCGT-UHFFFAOYSA-N 423.521 1.140 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1359055808 PUTRQWNLLHZYSU-HZPDHXFCSA-N 403.552 1.727 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359129134 RXPPIJXOENMMRJ-IBGZPJMESA-N 421.505 1.965 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1359226179 YIYWYJCWXDTJTM-UHFFFAOYSA-N 406.512 1.341 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1359259720 FXVWRKXPNPZRNE-UHFFFAOYSA-N 414.485 1.934 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)c3snc(C)c3C#N)C2=O)cc1 1436644049 LLMRFONWAHTUPB-LJQANCHMSA-N 413.459 1.762 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1446786923 RSUXPHJLZMLZKL-MSOLQXFVSA-N 414.506 1.996 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(O)C1=O 1450155247 JIVVTJFVNHUCOU-HOTGVXAUSA-N 406.483 1.118 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1ccccc1SCC#N 1455562519 GQOSEJXNULVRAR-UHFFFAOYSA-N 410.499 1.807 30 10 HDEE Cc1c(C(=O)N2CCn3ncc(I)c3C2)cnn1CCC#N 1456180899 RFTKFTDJVWWUDG-UHFFFAOYSA-N 410.219 1.562 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ncccc1Br 1457209229 CFRIFLKYSWXJNO-NSHDSACASA-N 423.292 1.699 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1458026554 LIYHDOAQJXAUEM-CYBMUJFWSA-N 417.453 1.586 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4nc(C(C)C)ncc4C3)CC2)o1 1460483453 BILDXEMUQDJBEY-UHFFFAOYSA-N 409.494 1.475 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CN2C(=O)CCC2=O)c1 1464288031 JFSSFLPDJVBVSK-PGMHBOJBSA-N 420.491 1.367 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC 1464548204 XHDIKRJDAOHTTG-NSHDSACASA-N 417.285 1.668 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCc3c(C#N)cccc32)s1 1469209792 FRCFOOOGZOCSOD-UHFFFAOYSA-N 418.500 1.123 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1469672555 LQCYBELBTAYDGZ-GOSISDBHSA-N 402.495 1.971 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1470237371 RCBBCPDTIALWCC-SJORKVTESA-N 403.479 1.905 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C1 1471832499 FECBFWRRFSRFFS-PKOBYXMFSA-N 423.604 1.609 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2ccc(C(F)(F)F)cc2)CC1 1473346965 AUVAGPNMJVNZHL-HNNXBMFYSA-N 419.425 1.005 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NC[C@@H]1CC(C(N)=O)=NO1 1478621164 LUYORWXHOKCPSV-LBPRGKRZSA-N 413.247 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507539104 RAJPJVVYBGXRAQ-HOCLYGCPSA-N 423.539 1.117 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@H](C)C1 1507617596 WPUWDKWNLRZXJV-ZWKOTPCHSA-N 407.584 1.762 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnccc1OC 1507684578 DMMXYEYIRHZDDB-UHFFFAOYSA-N 415.461 1.832 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOC 1507709818 BFYUUKQWJRRIHG-UHFFFAOYSA-N 410.478 1.315 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(CC)C(C)C 1507765279 RCPBXBMMNHPIFK-VQIMIIECSA-N 410.588 1.611 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507805960 RFNKWBWDWZOIFU-WIYYLYMNSA-N 416.570 1.566 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1507836373 JAFIPADLBVXNDN-LAUBAEHRSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](COC)C1 1508088667 UORRRCIWYTWZQA-CQSZACIVSA-N 423.477 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1C(C)(C)C 1508148525 ITJJOCMJEUGGER-HNNXBMFYSA-N 409.556 1.378 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N(C)C 1508421860 DLFZIRURGFTCTD-AWEZNQCLSA-N 408.503 1.495 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515078900 NOFLMFQHACQQBI-UXHICEINSA-N 422.505 1.677 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1517575685 DKNBLADMDGUNKZ-UHFFFAOYSA-N 421.461 1.298 30 10 HDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1519057580 QEAIQEGKCIVQLT-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)CN(C)C1=O 1519167258 QSPGHXHPHUCHLR-OAQYLSRUSA-N 412.494 1.798 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)nc1 1519795625 YHLSLQYVSNJKOC-UHFFFAOYSA-N 418.519 1.718 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1F 1520672859 QIGHUDVYROWYIV-AZOIQLNYSA-N 419.482 1.161 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 1521069285 HTBPDFUTILZUEA-ZDUSSCGKSA-N 421.221 1.830 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)cnn1CCC#N 1530841810 JCOFBTFWOADSFE-HXUWFJFHSA-N 406.490 1.669 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1532934204 MYEHENQFENLFIZ-QUCCMNQESA-N 404.532 1.940 30 10 HDEE Cc1nc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ccc1C#N 1537806025 GVUZCLFPJAOEBV-OAHLLOKOSA-N 422.507 1.416 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCO1 1538879899 CTKWDAKISKPMDQ-QGZVFWFLSA-N 401.444 1.631 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1538993565 NCJFBOASYRDDEX-CQSZACIVSA-N 416.503 1.751 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(O)(CC)CC 1539167755 LGTLVYAZKMMGQK-UHFFFAOYSA-N 404.540 1.859 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccn(CC)c1=O)[C@H]1CCS(=O)(=O)C1 1539216658 VFBAECFQTZKNBE-KRWDZBQOSA-N 415.519 1.012 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1539392434 RNCQJZOSALPCGO-DYESRHJHSA-N 403.527 1.708 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1 1539539419 UMISBVPOCAHBOY-OXJNMPFZSA-N 416.551 1.827 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1539751530 OVNHQDDXNPVXEX-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cnc(C)s1 1540071975 IXCBHIYBULSFBJ-CQSZACIVSA-N 412.541 1.046 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1540139206 AAERLLJXMGBJAM-IBGZPJMESA-N 405.524 1.822 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC[C@@H](C4CC4)O3)CC2)cc1 1540728644 OTMICKZZKLYNEB-MJGOQNOKSA-N 403.504 1.739 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540915553 MDTABTRXCQULGD-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)n1 1543692431 PCHKCHBSJDLSAH-UHFFFAOYSA-N 417.372 1.912 30 10 HDEE Cc1c([C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(F)cc1 1544580346 CLXQTFPJBYBBTE-GFCCVEGCSA-N 410.409 1.721 30 10 HDEE CN(C)CC(C)(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1552853046 BLIXXQWYQSECBY-INIZCTEOSA-N 412.494 1.990 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1555421848 ZRRMVAFTKBMBNS-FGZHOGPDSA-N 424.505 1.463 30 10 HDEE Cn1cnnc1N1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1557296849 SWGFCHXNGJJONN-UHFFFAOYSA-N 405.256 1.177 30 10 HDEE Cn1cc(-c2cc3c(nn2)CCN(C[C@@H](O)COc2ccc(CC#N)cc2)C3)cn1 1560038115 GSIDMSAZIDYXBL-LJQANCHMSA-N 404.474 1.741 30 10 HDEE C#CCN1CCN(C(=O)CN2CCn3c(Cc4ccccc4Cl)nnc3C2)CC1 1560152332 NLODCGLXBSJCTH-UHFFFAOYSA-N 412.925 1.115 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)N[C@@H](CCCC#N)c2ccccc2)CC1 1564831837 BUDZFCDJPFWLRG-SFHVURJKSA-N 407.540 1.992 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC(C(=O)OC)CC2)s1 1565671096 MIWVYQBQOPCFAR-UHFFFAOYSA-N 400.522 1.603 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)n[nH]2)c1C 1568787938 VOGHMRQZSXUASA-UHFFFAOYSA-N 411.466 1.327 30 10 HDEE CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)co1 1585296620 LUJNUUFGTGORLF-MJKSAKIDSA-N 401.419 1.891 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](n2cccn2)C(F)(F)F)c1 1585628484 XLXNOPOOVJRUMA-ZDUSSCGKSA-N 404.345 1.853 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2[nH]c3ccccc3c2C#N)c1 1586570296 WFTADRGQGVINEZ-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588054308 NEPABIUZKKXLAS-ZWKOTPCHSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC(C)(C)C(=O)NC 1588659782 NWXNDRPZQYSMKQ-UHFFFAOYSA-N 401.486 1.866 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1589068920 GCFVDAUJLLGKSX-KRWDZBQOSA-N 415.519 1.729 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@@H]1CO 1594949050 QINAVKHJRHWXES-MRXNPFEDSA-N 416.526 1.865 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)SC)C1 1595723210 SURNUXISHPRFNP-RRFJBIMHSA-N 400.570 1.713 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595785174 SLQLKXZBADRNEC-SJLPKXTDSA-N 417.535 1.946 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)C#Cc1ccc(C(F)(F)F)cc1 1596454171 JXXDMMJKJOUTLD-AWEZNQCLSA-N 403.378 1.246 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(CC#N)n3)CC2)cn1C 1598032578 PEOSISQQAQAXBR-UHFFFAOYSA-N 402.480 1.229 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 1611238583 PCRGKKARBRJFTK-UHFFFAOYSA-N 401.400 1.773 30 10 HDEE O=C(NC1CCCC1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@@H]12 1616174983 ISTUZDBONWDDQH-VGVSJJQXSA-N 419.503 1.277 30 10 HDEE Cc1nnc(N2CCN(C(=O)C(C)(C)c3ccc(C#N)cc3)CC2)c(C(N)=O)c1C 1616587544 CPCAEFAAZVJMJQ-UHFFFAOYSA-N 406.490 1.690 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(CCN2CCOCC2)[C@H]2CCSC2)c1 1618931635 LZRSVPNJIFGGDI-SFHVURJKSA-N 409.577 1.472 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)N(C)C)cc1OC 1619210550 DVQKKPVYSGPQNE-OAHLLOKOSA-N 414.466 1.169 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCN1CCOC(C)(C)C1 1619911702 CYSYECATRPVKPZ-UHFFFAOYSA-N 416.530 1.156 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 1622396239 WTHMDROVILTOAH-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1626353904 IGJMUQGRSHNCHG-IRXDYDNUSA-N 421.542 1.514 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1628612678 YPRQSWSCLQOUTQ-UHFFFAOYSA-N 404.448 1.640 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)cc1 1630104444 ZPZIKURLEUIPKK-OCCSQVGLSA-N 404.410 1.780 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(I)cc1NC 1631312868 XPNXDWQWQDVIJI-UHFFFAOYSA-N 408.261 1.664 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Cl)c([N+](=O)[O-])cc2NC(C)=O)CC1 1633885220 URGVGQLYYSSNDF-UHFFFAOYSA-N 406.826 1.808 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN([S@@](C)(=N)=O)CC1 1633981673 NPBDHPXUEWJULQ-PGGUUEOZSA-N 401.533 1.699 30 10 HDEE CNC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOCC1 1634920647 KMUANEMIZPBZAX-CHWWFWEZSA-N 420.510 1.185 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1636338533 QGRZPHQABCXYCO-QWHCGFSZSA-N 409.936 1.420 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(NC3CCOCC3)CC2)c1 1638302208 CYLULANWIQGJSU-UHFFFAOYSA-N 409.483 1.496 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CCNC(C)=O)C2)s1 1638336592 QNKUSXNJBZBKEF-HNNXBMFYSA-N 413.565 1.520 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CNC(=O)c1ccc(Br)o1)C2 1639989584 ZVRKJRVNZYIDGJ-UHFFFAOYSA-N 409.265 1.872 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nnc(O)n1C 1640331494 SYXINECIGWDGIS-IPXXKRIQSA-N 404.471 1.485 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2COC(=O)NC)s1 1641974952 LDDOMEAALPNEDW-ZDUSSCGKSA-N 415.537 1.492 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1644829268 SBOIODJLAXDKFT-BPLDGKMQSA-N 407.492 1.462 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2ccn(C)n2)CC1 1644936010 GSRJEWGOEUDJIR-CQSZACIVSA-N 401.492 1.365 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)C1 1645270650 LZRXALPJCSFQJZ-LNLFQRSKSA-N 419.547 1.312 30 10 HDEE C[C@@]1(c2cccc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)c2)NC(=O)NC1=O 1648719298 KENAZGQELRDKQZ-VXKWHMMOSA-N 403.442 1.834 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC(c3n[nH]c4c3COCC4)C2)cc1 1653819912 DIFLFOASKDCATO-UHFFFAOYSA-N 414.487 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C[C@H](O)COc2ccc(CC#N)cc2)C1 1655764806 ODUUWTOXCAHEHC-PGRDOPGGSA-N 419.522 1.844 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCNC(=O)c2ccc(Br)cc2)C1 1667220418 XDBLWCOTAHZHIB-MRXNPFEDSA-N 407.312 1.576 30 10 HDEE C#CCn1cc(CNS(=O)(=O)N=[S@@](=O)(c2ccccc2)C(F)(F)F)cn1 1670261909 FKFZQBCHUNQKHR-RUZDIDTESA-N 406.411 1.898 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1672431472 FYPGOYIBKVGVJP-OAHLLOKOSA-N 414.491 1.538 30 10 HDEE CC(=O)N1CC[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1680414942 LQAHZBGWMMTWLV-QOKNQOGYSA-N 402.476 1.064 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3C[C@H]3c3ccco3)CC2)cc1 1681945556 CZJCXXVCXVAWKW-IAGOWNOFSA-N 400.460 1.723 30 10 HDEE CON1CCC(NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1 1682111333 VHYJNLILGLEICD-UHFFFAOYSA-N 411.510 1.892 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccccc1 1683676067 JIRJWWVFMMTUCQ-LJQANCHMSA-N 406.490 1.519 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3ccc(C#N)cc3)CC1)CCO2 1684057055 CIVMLCASVBYDGI-DKTYTTGXSA-N 412.490 1.891 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)CC1 1684891116 XFFWUGYEOAHRBP-UHFFFAOYSA-N 419.551 1.899 30 10 HDEE C#C[C@H]1CCCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1686368933 ZVLPRXXRLANYSP-PKOBYXMFSA-N 401.482 1.898 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(CC#N)cc1 1686889764 GTPBPFMNFNQPIA-NRFANRHFSA-N 407.518 1.841 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1689860929 LFZZIYGCFVVFES-RCCFBDPRSA-N 416.570 1.746 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1689908053 VBZHREWUJMUVRF-OAQYLSRUSA-N 411.510 1.413 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1689986051 HREGXBCFWRQTSB-OAHLLOKOSA-N 401.492 1.003 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1689993176 XFXHTGWFOALQGK-ZWKOTPCHSA-N 407.584 1.588 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC1(O)CCOCC1 1690211091 SBZNDPFPNKMZAV-HXUWFJFHSA-N 401.511 1.324 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690299317 NEFQKWDJAKJMFP-XHSDSOJGSA-N 418.498 1.051 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cccnn2)CC1 1690308131 CAXKNFJTFWYKFL-UHFFFAOYSA-N 407.482 1.444 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690636317 RTXQDXZWRYOQQJ-IBGZPJMESA-N 410.522 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccn2)CC1 1690667783 IAXSDGZGMTZROO-UHFFFAOYSA-N 404.478 1.364 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOC2(CCCCC2)C1 1690723871 CGMXQKMVTQIXJE-QGZVFWFLSA-N 424.567 1.922 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H]2C)CC1 1690867737 FEDIFHBWQFUPDZ-KRWDZBQOSA-N 407.522 1.970 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C#N)C1 1694604584 ANCVTYGGHVAQJS-OAHLLOKOSA-N 406.494 1.975 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1696503194 CQWPLUJJRNOGLM-LJQANCHMSA-N 417.539 1.718 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1 1705499120 LNRISXGMFHJFDM-CYBMUJFWSA-N 407.565 1.917 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705501836 PAWXLCFWPPELAZ-BBWFWOEESA-N 409.556 1.477 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705513879 BVWOMKUVQUHOKV-UHFFFAOYSA-N 409.494 1.004 30 10 HDEE C#CCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCOCC1 1705525278 CIEPKBTZSXIAPI-UHFFFAOYSA-N 402.524 1.797 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705532499 OLKJFLDHMNRIPP-IRXDYDNUSA-N 419.526 1.925 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCc1cnn(C)c1 1705588833 FZGIEUNCLLJACU-UHFFFAOYSA-N 416.489 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1705598555 LMLHWXNJJUPGJU-RDGPPVDQSA-N 418.563 1.847 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2CC(=O)NCC=C)CC1 1705636327 GDMORKHLKOPHJH-UHFFFAOYSA-N 416.888 1.795 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CC(F)(F)F)CC1 1705639091 FYGJGWQORFMOEU-MRXNPFEDSA-N 414.476 1.769 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NC(C)C)CC1 1705777857 RHERHWAIXPZVGD-UHFFFAOYSA-N 421.509 1.848 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1710824255 JNNCTEYAPMHRDH-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(C)COC1 1711245153 QWWPUXHYUYSCBN-CYBMUJFWSA-N 421.299 1.811 30 10 HDEE COC[C@H](F)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1712176175 VBHAAASEMLWUAO-CKEIUWERSA-N 403.414 1.504 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(=O)NC2CC2)CCO1 1712883093 KYYOBFWNHORCEW-HNNXBMFYSA-N 415.885 1.781 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1722277291 LSXITEWCPGHJTD-HOCLYGCPSA-N 416.478 1.844 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1722337295 XPXMCQJJAQCGMW-SJORKVTESA-N 400.527 1.631 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1722354055 YLHVUKAWKSWKLA-KRWDZBQOSA-N 400.527 1.334 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1722366343 RAOHNWCDURJQPG-ZIAGYGMSSA-N 422.580 1.881 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC)cc1 1722380898 BSCLOSUVZXPYBJ-GOSISDBHSA-N 404.474 1.100 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cccnc1N1CCOCC1 1722402025 MVFCPXJGJBPORX-UHFFFAOYSA-N 408.506 1.557 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OC)nc1OC 1722429125 NZOYWUMRNJUYAX-KRWDZBQOSA-N 415.494 1.719 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1722462319 LVDANPVRLWDZIH-LJQANCHMSA-N 401.540 1.208 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCOCCN(C)C 1722468455 LNPHOVPPAACVHX-RTWAWAEBSA-N 405.543 1.501 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722628519 XMQDYRYNLVTXCM-QGZVFWFLSA-N 416.526 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](COCC)C1 1722727686 PUPMGNSMZIAHMK-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccnc1OC 1727602023 CAQIWVPPJXZWEF-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1731017422 RTGYBDKHUDCLPR-ZDUSSCGKSA-N 424.914 1.267 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCS2(=O)=O)C1 1731181257 NHEJQGMUKVXLEI-HDMKZQKVSA-N 411.503 1.581 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740531386 KXCCLTXSESBEPE-FXAWDEMLSA-N 424.549 1.489 30 10 HDEE C#CCCCCn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1740573117 JANWRGBJNUHGNF-UHFFFAOYSA-N 402.520 1.916 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1740594067 ACNGUZPRUVSZNQ-IBGZPJMESA-N 424.553 1.939 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740622473 YOGAQGVRJWYAHU-KXBFYZLASA-N 405.524 1.451 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC[C@@H](C2CCC2)C1 1740716094 LOKCENMFAMDGDQ-DLBZAZTESA-N 403.552 1.849 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H](C)C(=O)NC 1740763218 ZPPJRUKAWNDEHR-MLHJIOFPSA-N 405.543 1.972 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@@H](C)C1 1740876535 UAVYOXAGCBBJAJ-JYJNAYRXSA-N 413.544 1.191 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740890103 UCFLFWNJXBJDQG-VQTJNVASSA-N 418.586 1.939 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740991833 GFQNUPJTEQGBIE-OAHLLOKOSA-N 424.571 1.024 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740995252 FXDKQEYWJQSJPD-OAHLLOKOSA-N 406.556 1.396 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCSCCCO)n1 1742700435 YYVVJWIYJBYNAT-GOSISDBHSA-N 407.519 1.697 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748682386 UPZMDAKMLFCLIZ-GDBMZVCRSA-N 407.565 1.812 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1748710163 IRODWSRZMKIESV-KRWDZBQOSA-N 413.526 1.417 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 1748751995 PRVMJMWYRNZMFM-CQSZACIVSA-N 424.552 1.117 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748817622 NFBIGTZEKACWKN-OTWHNJEPSA-N 421.611 1.835 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CCO[C@H]1C1CC1 1748948858 YTNNNJAOEQEYJB-AVRDEDQJSA-N 415.538 1.805 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC2CCCC2)CC1 1748971050 BJZWJYQXVZMSRH-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@H]2C[C@H]2C)CC1 1749003429 JNJQUWCZLDDQDM-NRJQMVOHSA-N 415.538 1.865 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCSC2)CC1 1749019059 JKPSMPPRGNSFBO-INIZCTEOSA-N 405.568 1.924 30 10 HDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCNC(=O)CC1 1749398776 RHPSMMYUZKQLKR-UHFFFAOYSA-N 421.505 1.875 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N2CCCNC2=O)CC1 1749659756 IVQOUTYQTCTOIC-UHFFFAOYSA-N 423.521 1.631 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)C)CC1 1749752036 HLHOMOVKHJEBKB-UHFFFAOYSA-N 403.556 1.902 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1749829080 KLQQXVOWVNUVSJ-GOSISDBHSA-N 407.478 1.154 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1750584177 GKABYGJTHVFUQD-UEXGIBASSA-N 413.478 1.697 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750980237 HRPOZUZQUOKNNR-SJORKVTESA-N 424.461 1.846 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1752347606 QNGWYSKSROLXCR-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1760163666 YUTSEAHOSFGQPG-LLVKDONJSA-N 414.438 1.002 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1CC(=O)N1CCN(c2ccccc2)CC1 1760169340 KUHXTVKSRBGLHH-UHFFFAOYSA-N 415.501 1.758 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)C(C)C 1760198723 HPXKIUQAIXORPS-IBGZPJMESA-N 404.478 1.665 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1760229983 MKXRWTJGWXKLNN-UHFFFAOYSA-N 423.477 1.575 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1c1cnn(C)c1 1760246496 RRABTVQUUHOORK-GOSISDBHSA-N 422.537 1.772 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCSC)CC1 1760265134 OTEMMIJNICZZQL-UHFFFAOYSA-N 406.556 1.135 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN2CCCC[C@H]2C1 1760299679 DCCIGBGVAYLIDI-AWEZNQCLSA-N 411.348 1.999 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(C)CN(C)C2=O)n1 1762435528 VZTLFQDJEUNGHO-NRFANRHFSA-N 410.526 1.748 30 10 HDEE Cc1nnc(N2CCO[C@](C)(c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762628056 LHMAYAOFJCTZRM-SQJPUDIVSA-N 422.489 1.865 30 10 HDEE CCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1765511304 TWVJAPRWCWNOJJ-ZDBRSUKYSA-N 415.542 1.632 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCSCC1 1768282106 ZHSAKWZAMWEDLT-UHFFFAOYSA-N 420.564 1.699 30 10 HDEE CN(CCOCC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768970865 WXCPONYACIZDOY-HNNXBMFYSA-N 419.507 1.556 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)F)CCN1C1CC1 1770746561 BPTGNWVNHQMZBF-CVEARBPZSA-N 410.469 1.978 30 10 HDEE COCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1770930368 JXAZYGHPGNDODG-FMQUCBEESA-N 414.510 1.620 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C1 1848791519 USKMKVPWGRFPLP-CQSZACIVSA-N 420.425 1.367 30 10 HDEE COCCN1C[C@@H](C(=O)N2CCCc3nc(C#N)cc(Br)c32)CC1=O 1850682714 VZDPABMQNZLHRW-NSHDSACASA-N 407.268 1.490 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 1851120407 PQHBMOYSOWIVDN-LBPRGKRZSA-N 400.357 1.817 30 10 HDEE N#CC1CCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1851714237 USJYYONYGWHXGJ-HXUWFJFHSA-N 414.531 1.572 30 10 HDEE N#Cc1cccc(C#N)c1N(C[C@H]1CCCO1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1852302794 MCBDODHPSVXJQC-MAUKXSAKSA-N 406.446 1.884 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)c1cc(Br)cnc1N1CCCCC1 1852797806 FANXQUBLGFUAMK-UHFFFAOYSA-N 414.325 1.612 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCC2 1853676168 DFZKCWJTUZYAEQ-UHFFFAOYSA-N 423.579 1.750 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2=O)cc1 1854038999 ZEARSXCHHKVEGX-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854421456 QDPLBKUEYNNPLD-UHFFFAOYSA-N 419.503 1.465 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccnc(Br)c3)C(=O)C2)C1 1855073050 SQMHZFUQQQSKEJ-CQSZACIVSA-N 406.284 1.116 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C(=O)C2)C1 1855074252 QCKMUYFGCGWQRI-LJQANCHMSA-N 409.490 1.086 30 10 HDEE CCOc1ccc(OCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855121546 YORLLJQYMPDMRG-KRWDZBQOSA-N 400.479 1.123 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855597040 VAFMYKDYSOYNCX-HZPDHXFCSA-N 402.520 1.382 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)Cn3cnc4ccccc4c3=O)C2=O)CC1 1855603835 BMIIXYRMXCGETA-LJQANCHMSA-N 407.474 1.540 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@@H]3COc4ccccc4C3)CO2)cc1 1855737102 VQWYYTJUFABTLQ-IRXDYDNUSA-N 414.439 1.657 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@H]2CCc3ccccc3O2)c2ccccc21 1855773654 ABFBRFNSOVYSCI-GOSISDBHSA-N 411.439 1.613 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CCC(n4nccn4)CC3)C2=O)cc1 1855891845 OUHFXBKVCRHYHL-FQEVSTJZSA-N 406.490 1.937 30 10 HDEE COCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCCC2)C1=O 1856265331 SGQUCDZVDGAXAD-UHFFFAOYSA-N 405.476 1.267 30 10 HDEE CCOCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856279573 BDPOBFZVKOJNPB-UHFFFAOYSA-N 405.476 1.267 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@@H]4CCOC4)C(=O)C3)C2)s1 1856310077 ZWAAFLCMTFLSHF-JKSUJKDBSA-N 402.520 1.291 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cn3cnc4ccccc43)C(=O)C2)cc1 1856322497 VZUKNWQNMDQZAG-UHFFFAOYSA-N 403.442 1.658 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCC(Cn4cncn4)CC3)C2=O)cc1 1856523837 HOPHESBQEGPQCD-FQEVSTJZSA-N 406.490 1.622 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1=O 1856749161 XBKMFFAGWXCFOS-HUUCEWRRSA-N 409.408 1.954 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3cccc(C)c3)C2)CC1=O 1856820320 XPZJJJFLJUOMSS-IBGZPJMESA-N 419.547 1.536 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)CC(C)(C)C(F)(F)F)C1=O 1857148650 DXOVMPNCPOCJDS-AWEZNQCLSA-N 424.427 1.575 30 10 HDEE Cn1nccc1CCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1857503894 PKAXGQYVSNPWJC-GOSISDBHSA-N 406.490 1.630 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2ccccn12 1858242687 FSUXLEGLOPMQGV-CQSZACIVSA-N 423.454 1.375 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1Cc1ccco1 1870356451 PMFPJHVVZDPYCC-UHFFFAOYSA-N 415.490 1.541 30 10 HDEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccccn3)CC2)cc1=O 1870387094 PWDNOBCPLRZLAD-UHFFFAOYSA-N 414.506 1.139 30 10 HDEE COC(=O)CSc1nncn1/N=C/c1cc(Br)c(O)c(OC)c1 1874539162 QIYHYEKFINJLRL-FZSIALSZSA-N 401.242 1.902 30 10 HDEE N#CC12COC(CS(=O)(=O)CC[C@@H](NC(=O)OCc3ccccc3)C(=O)O)(C1)C2 1882805980 UXNCGCPYGYDILP-VNCLNFNDSA-N 422.459 1.244 30 10 HDEE Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)N[C@](C)(C#N)C2CC2)cc1 2042438745 LKNBCZFZEHLIGE-LJQANCHMSA-N 405.476 1.237 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074692355 RJGQVBZWQVKQDB-HJWYETAXSA-N 408.476 1.315 30 10 HDEE N#CC12COC(C[S@](=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)O)(C1)C2 2074700057 UOKUWPDMCTUPLE-BUCINZLMSA-N 406.460 1.578 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 2118169216 NRLHJSFGBSGZOF-LBPRGKRZSA-N 400.526 1.449 30 10 HDEE COc1ccc(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)s1 2154086449 LNVLCUFXOIAOCU-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC(C#N)CC2)C1 2174780972 ANTVGUZWZAYEOD-CABCVRRESA-N 402.517 1.081 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 2174784472 OBDQSMJLRHKHPN-ZBFHGGJFSA-N 400.545 1.949 30 10 HDEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC[C@H](C#N)C1 2174784968 TXSKGNVXLCGJCW-HUUCEWRRSA-N 402.517 1.034 30 10 HDEE CON([C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2176075169 FTIBVWYHBPZVLU-CQSZACIVSA-N 403.501 1.509 30 10 HDEE Cn1ncc(I)c1CN=C1NS(=O)(=O)c2ccccc21 2189869789 CIGMSBYYVSUSCJ-UHFFFAOYSA-N 402.217 1.263 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826996 CQZFSNLRAOKTBJ-OLZOCXBDSA-N 420.319 1.885 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2247919621 RKUZWEHNINCGSQ-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE C=C[C@@H](C1CC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258164990 ZZZXGPZXDWYPNO-SJORKVTESA-N 410.492 1.681 30 10 HDEE Cn1nc(C(=O)NCC2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267183339 MPZNLWFXGDDCOY-UHFFFAOYSA-N 411.695 1.256 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCc2c[nH]c(=N)s2)OC1(C)C 2267463596 JEZYJXZFPZXLNU-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270508471 JRFJLDWRVYMMTO-MRXNPFEDSA-N 424.475 1.139 30 10 HDEE C[C@H]1CC[C@H](S(C)(=O)=O)CN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2279346103 ZIWFXJGNKIERFF-STQMWFEESA-N 400.375 1.840 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281959401 ZKRMIVFPRQHSEC-CMPLNLGQSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@@H]3C(N)=O)cc2Cl)OC1(C)C 2282314916 GYIAVLBCRYUPLC-SNVBAGLBSA-N 420.749 1.339 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(N)CCCC1 2282326211 PEEPQXQZQLHUNO-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N3CCNCC3)c(Cl)c2)OC1(C)C 2282493503 WOMZSJNKTBPEMQ-UHFFFAOYSA-N 421.155 1.887 30 10 HDEE CC1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCOCC1 2282502156 HGGDLJHEAHUIAA-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE CCOC(=O)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503011 SOKSZZDJYHQCLW-LLVKDONJSA-N 403.331 1.418 30 10 HDEE C[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282837755 GWVDEYWTFSUEHX-NEPJUHHUSA-N 403.737 1.934 30 10 HDEE Cc1cc(S(=O)(=O)N(O)C2CCOCC2)sc1B1OC(C)(C)C(C)(C)O1 2282839553 FSIORXPNAVKIRK-UHFFFAOYSA-N 403.331 1.915 30 10 HDEE C[C@H]1CN(C)CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847866 GBDRGKCBHKGJPM-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](N)[C@H](C(F)F)C3)s2)OC1(C)C 2282852221 MIWUQMUBZMQJTF-NXEZZACHSA-N 408.301 1.260 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(F)CCNCC2)OC1(C)C 2282855996 MBQAQKQWNNARHX-UHFFFAOYSA-N 404.338 1.417 30 10 HDEE CN(C)c1nnc(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)s1 2282859388 LVNNMYCLCXPUOS-UHFFFAOYSA-N 416.359 1.766 30 10 HDEE C[C@H](N)[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282870456 SGIVLSXKWWTSGT-STQMWFEESA-N 400.375 1.546 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2282877359 QHOLWKVXEOQVIN-CQSZACIVSA-N 401.359 1.829 30 10 HDEE Cn1ncc(Cl)c1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882747 QCYNDRYAUZRQNT-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C=C(CS(=O)(=O)N[C@H](Cc1nccs1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284397622 OGFCJZUXVWOGKV-LLVKDONJSA-N 402.303 1.246 30 10 HDEE C[C@@H]1CCN(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2290361400 INYUFCFGBCEBTB-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE COC(=O)c1cc(NC(=O)CN2C(=O)C(=NO)c3ccccc32)cc(C(=O)OC)c1 2296476302 OHKIRLDSRZBNMD-UHFFFAOYSA-N 411.370 1.423 30 10 HDEE C#C[C@@H]1N(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1(C)C 2314549288 VNVYAGTWWKXRPA-HOTGVXAUSA-N 408.476 1.128 30 10 HDEE Cc1nnc(SCC(=O)NC2CCCC2)n(N=Cc2ccc3nccnc3c2)c1=O 2321655319 XOVONSMHOKAPRI-UHFFFAOYSA-N 423.502 1.923 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2COC[C@@H](C1)[C@@]2(O)C#CC(C)(C)S(C)(=O)=O 2365179275 NSVFEMUNDXCIDS-IZUZZMAOSA-N 401.525 1.494 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)c1nn(C)cc1I 2365191255 MLBAWZGZOUZXPI-LLVKDONJSA-N 409.293 1.502 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365204199 MHCBPEQJBPOHAP-IFXJQAMLSA-N 402.557 1.681 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367787163 KPVVKMXJZYNOCX-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 2367792530 PIJJVBPADWTQQN-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2367793659 WOOGHESWCUURER-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOCCN1C(=O)OC(C)(C)C 2367801201 PUKQMIIAUKVOHP-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2367803059 HRPOTEQWHRMGFJ-BZUAXINKSA-N 400.541 1.617 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2372803524 HEBBUNCNOTWTKW-KDOFPFPSSA-N 404.529 1.810 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2372804667 PGZXWPOBWJMTLU-KSSFIOAISA-N 404.529 1.810 30 10 HDEE C=CCNC(=O)N1CCO[C@H](CN2CCCN(C(=O)c3ccc(C)cc3)CC2)C1 34692133 PEUMMEJDWPMMLJ-HXUWFJFHSA-N 400.523 1.739 30 10 HDEE C=CCOc1ccc(CNCCS(=O)(=O)N2CCN(c3ccccn3)CC2)cc1 48783874 OGJQYGKGAQQLRD-UHFFFAOYSA-N 416.547 1.888 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccnc2)/C1=C(/O)c1ccc([N+](=O)[O-])cc1 102552297 XTIFYROYULNBNF-HMNTXPNISA-N 413.386 1.420 30 10 HDEE O=c1[nH]c2ccc(S(=O)(=O)N/N=C/c3ccc(O)c(Br)c3)cc2o1 169907729 IZFQTWDHOWPEPG-FRKPEAEDSA-N 412.221 1.902 30 10 HDEE CCN[C@H](C#N)Cn1cnc(I)c1I 308514355 DMDHJQXLBCWSTP-ZCFIWIBFSA-N 416.004 1.594 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 409570800 ODTDSRGVOHDDAX-GFCCVEGCSA-N 405.446 1.995 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)C1=O 410178984 PLJRJUSBAYVSPW-BQFCYCMXSA-N 401.511 1.354 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1 410195375 YRYLLLOJCZBGPE-SJORKVTESA-N 405.524 1.108 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3C#N)cc2)CCN1CCO 427407338 WWJUWXNHDWDOMS-MRXNPFEDSA-N 408.458 1.814 30 10 HDEE C[C@@H](NC(=O)CNC(=O)CN1CCN(c2ncccc2C#N)CC1)c1ccc(F)cc1 432954439 NKGZNLUQZRVVJQ-MRXNPFEDSA-N 424.480 1.208 30 10 HDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 441426142 RTTQXLGWSARQFX-UHFFFAOYSA-N 414.409 1.884 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)COc3ccccc3C#N)CC2)s1 464695772 ZQVXLXZRSAWFOR-UHFFFAOYSA-N 400.460 1.919 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473442598 JGRGORCPXVUQAI-RDJZCZTQSA-N 417.418 1.402 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476220609 NYEPVUZANHCYBF-FQEVSTJZSA-N 413.522 1.411 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cn2cc(Cl)ccc2n1 480422981 YYUWBWZFCOPZHW-GFCCVEGCSA-N 417.878 1.843 30 10 HDEE C=CCOC[C@H](NC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1)C(=O)OC 481769605 PVAGANVOPOJQLK-IBGZPJMESA-N 417.506 1.811 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 486342555 LBCOJDAKCNCEHU-CRAIPNDOSA-N 410.492 1.636 30 10 HDEE COC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccc(F)cc1 491080341 SLMJLZVXXSYQKJ-GOSISDBHSA-N 422.420 1.780 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2OCc2c(C)noc2C)CC1 492417254 JGMOVIJSKYBMBD-UHFFFAOYSA-N 412.490 1.930 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1=O 501329147 FZRQWAUAZNFKLL-DJSGYFEHSA-N 409.471 1.746 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NC(=O)[C@@H]3Cc4ccccc4O3)c2)CC1 503646380 ZCADUGBSYUXEMV-FQEVSTJZSA-N 418.453 1.827 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 508646523 FVEZCMWEOAZQRY-WOJBJXKFSA-N 411.506 1.560 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(C(=O)NCC(=O)OCC)CC1 508871260 DQBGIWHJJKTMJO-UHFFFAOYSA-N 412.494 1.346 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@H](S(=O)(=O)N(C)C)C1 511141385 WGVWEUBNENXTLK-OLZOCXBDSA-N 410.565 1.791 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCO3)c1=O 523305823 KHBNRSWESYPVEW-UHFFFAOYSA-N 408.479 1.739 30 10 HDEE COc1ccc2nc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C)c3=O)sc2c1 530382956 GVIXYXQVENYCSG-UHFFFAOYSA-N 411.508 1.937 30 10 HDEE CC(C)(CCCO)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540080886 CLUIYHUTWUFXJD-UHFFFAOYSA-N 408.524 1.373 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 546696943 XUADIJUOHLNWOC-MRXNPFEDSA-N 409.552 1.984 30 10 HDEE C=CCN1CCC(NC(=O)NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 553581426 CVGMCUJIHNFQNN-HNNXBMFYSA-N 412.581 1.708 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cnccc4C#N)CC3)C2)n(C)n1 568826848 AWDUZUFPAXEMKE-GOSISDBHSA-N 408.510 1.496 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 571336255 FAYUBHFZBGGBKN-UHFFFAOYSA-N 410.526 1.824 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 576176678 WZEURTGQJLIONM-IBGZPJMESA-N 402.458 1.755 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCCN(CCOC)C(=O)C1 578177424 RBEKBPMNWLYSKC-GOSISDBHSA-N 413.478 1.662 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 585227096 MZTBZKCBBWOAQV-UHFFFAOYSA-N 417.491 1.560 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cc1 586861006 UYRWWOGGMPJCFE-UHFFFAOYSA-N 405.433 1.530 30 10 HDEE C[C@](CO)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(Br)cc1 588972604 OWYFAVJEQUMCMW-QGZVFWFLSA-N 424.320 1.987 30 10 HDEE Cc1nc(=NC(=O)C2CCN(C(=O)c3ccoc3)CC2)n(-c2ccc(C#N)cc2)[nH]1 610110426 XLWSYVUVUOOUAF-UHFFFAOYSA-N 404.430 1.953 30 10 HDEE N#CCc1cccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 619494539 LSCXCTWAFMBNTE-PMACEKPBSA-N 424.526 1.630 30 10 HDEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 677952705 XDVXUPTUJMDYOJ-KRWDZBQOSA-N 416.503 1.542 30 10 HDEE CC[C@@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1c(C)noc1C 726006976 NHGKSEZVKZIBRO-OAHLLOKOSA-N 415.450 1.845 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(CC)c2)c1=O 732561092 GUEWLSVNFHEHIW-UHFFFAOYSA-N 420.494 1.707 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C1 732648617 GLYDVYVXLNWGRN-APWZRJJASA-N 416.547 1.920 30 10 HDEE COc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 746886212 GYRFVYFIJDTBLI-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE CN1CCC(N2CCC(CCN(C)c3ccc(S(N)(=O)=O)cc3C#N)CC2)CC1 751111536 YMGRVUMGKZYVPC-UHFFFAOYSA-N 419.595 1.838 30 10 HDEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)COC(=O)c1cc(C#N)cn1C 751730347 VHDXNCLZAVJEBU-UHFFFAOYSA-N 412.446 1.939 30 10 HDEE CCn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 753065245 CUYRIQLPBMEWKR-CYVLTUHYSA-N 411.509 1.517 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)C1 755547280 NRLCSZPMIAEMJM-HOCLYGCPSA-N 414.462 1.825 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 756543038 KJBBVRZJUMTFQN-KRWDZBQOSA-N 406.504 1.270 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)[C@@H]1CCS(=O)(=O)C1 758438192 LJXOJZFBHWQNQH-CHWSQXEVSA-N 415.437 1.558 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(-c3ccccc3C)c1=O)OCO2 758950799 IUCKHBFUTWIVMH-UHFFFAOYSA-N 417.446 1.971 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 758991346 BGCVMPRPDHAXNE-KOLCDFICSA-N 414.384 1.852 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)Nc1ccccc1F 767677800 TVUUGGHQMYETKC-LBPRGKRZSA-N 405.407 1.546 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 770654987 JIMGAJAAMIPLKW-MSOLQXFVSA-N 404.488 1.294 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@@H](C)CN(Cc2ccccc2)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 774242424 VKRGUSAGZZJXJL-IZZBFERCSA-N 417.575 1.975 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=C(N)c2ccc(NC(C)(C)C)cn2)C1 774780565 CJYUORUKIRPZIH-QGZVFWFLSA-N 420.558 1.402 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NS(=O)(=O)c1c(C)nn(C)c1Cl 788089931 KQYWUULATRPUGE-UHFFFAOYSA-N 400.848 1.470 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](COc3ccccc3)C2)c1 791155935 UHEHSEHNSSBHSE-LJQANCHMSA-N 414.483 1.518 30 10 HDEE CNS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 797431821 ZCMULNODZOAAEM-UHFFFAOYSA-N 400.869 1.889 30 10 HDEE COc1cc(C)c([C@H](C)NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798742032 YYLHJPFMQAHBDC-QWHCGFSZSA-N 401.423 1.457 30 10 HDEE C[C@@]1(c2ccc(S(C)(=O)=O)cc2)NC(=O)N(CCNc2ccc(C#N)cn2)C1=O 804183972 HKHCSPULSLXWOC-IBGZPJMESA-N 413.459 1.236 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 804185270 LHYKBOJCGGKFCZ-HNNXBMFYSA-N 404.492 1.994 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)c1ccc(F)cc1 812526903 UGYJGYCHRVMKCI-GOSISDBHSA-N 408.476 1.919 30 10 HDEE CCCCCCCCCNC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 916194238 NXMPVWVQCUUYMB-UHFFFAOYSA-N 404.577 1.641 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(Br)cc1C 919728339 PBTYFYNNOILAKJ-AWEZNQCLSA-N 420.350 1.877 30 10 HDEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 1084011284 CLQMDTGPAZXTMQ-UHFFFAOYSA-N 411.495 1.630 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3C[C@H]3C3CCOCC3)C2=O)cc1 1132634741 LSXNGXHNOWOYPI-YTQUADARSA-N 410.474 1.942 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1)C(=O)OC 1139175459 FUKOGRJAMJWLGQ-IFXJQAMLSA-N 400.472 1.168 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1141979988 FSCKZWUSJNHWAV-CQSZACIVSA-N 417.487 1.514 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1144429203 OHLMLKJAKWHEBI-VLGSPTGOSA-N 420.853 1.549 30 10 HDEE CC(C)CN(Cc1nn[nH]n1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1176602471 IJMXXLWWVAZQBR-CHWWFWEZSA-N 417.514 1.971 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)cc2n1 1178764922 AGMXANSGUJJMRV-SFHVURJKSA-N 409.421 1.974 30 10 HDEE C=CCN(C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1206275520 NQMRQXKZSGNUQZ-CQSZACIVSA-N 415.537 1.452 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](Cn2cnc3ccccc32)C1 1213626050 DISZOWOBBHJVEQ-QGZVFWFLSA-N 405.524 1.855 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCC#C[C@@H]2CCCCO2)CC1 1248635950 NJDWUVJFWQMYSE-SFHVURJKSA-N 408.543 1.847 30 10 HDEE C=CCNC(=O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1255300065 KEYMCZRADSBLND-OAHLLOKOSA-N 410.515 1.394 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC2CCN(CC#N)CC2)C1 1265010711 NMBQNUJVBYTLCY-KNQAVFIVSA-N 414.506 1.907 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1286324470 QOVOXEUHEUJMII-GRXQJBFDSA-N 401.511 1.805 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286443402 GHFWWLVSRUHLJU-CVEARBPZSA-N 423.525 1.189 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCn1cncn1 1286469569 JJUJLYAQDXVOBN-IAGOWNOFSA-N 401.515 1.574 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286506234 HAWOVQMXKCHFEU-HZPDHXFCSA-N 404.540 1.442 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1286582238 UTKWMSSLXPQGNA-AWEZNQCLSA-N 403.936 1.766 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cn(C3COC3)nn2)CC1 1286633411 HXKORMMSACBDPH-UHFFFAOYSA-N 414.514 1.564 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1286722787 SSSIQIGBDAQOJM-NRFANRHFSA-N 412.494 1.602 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1286727637 VZQXDRVLRNMHQM-INIZCTEOSA-N 409.556 1.814 30 10 HDEE N#CCSCC(=O)N1CCC([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1293902644 AYNIMECISDHRME-GZKCFLEVSA-N 403.548 1.896 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1299016430 QKMDGRBIWOOBHX-XMSQKQJNSA-N 424.505 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOCC(F)F 1300447107 XXXGONYKEWPPCU-UHFFFAOYSA-N 402.409 1.662 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300458235 FTCCHXXSIPNJCA-IAGOWNOFSA-N 410.526 1.742 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300491313 GWKLOLLQHUXRMZ-FUHWJXTLSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(CC)CC)N(C)C 1300537681 IHFXZDWNWFTLJD-OALUTQOASA-N 419.595 1.619 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC(=O)NCc2ccco2)CC1 1300692474 GTVISEWIPQGESZ-UHFFFAOYSA-N 422.464 1.749 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300843907 KZHRHORYYCPSIM-CHWSQXEVSA-N 419.345 1.704 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1301459336 XXALBRJBCOEOMR-CYBMUJFWSA-N 414.491 1.651 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1301508376 JGFRGUTYAOIRHX-GDBMZVCRSA-N 418.542 1.882 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1301958290 ALBKCXKEWLWZEG-AWEZNQCLSA-N 421.498 1.620 30 10 HDEE CSCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1302743748 XYWUGCKMQCDZHU-UONOGXRCSA-N 416.573 1.150 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nnn(C)n2)cc1C 1304378665 FFKDJGBNUXWBNT-IBGZPJMESA-N 424.444 1.161 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@H]2CCCN(CC#N)C2)cc1 1306652495 SVPOWJLISMXWFR-VQIMIIECSA-N 416.547 1.952 30 10 HDEE COC(=O)[C@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1307889217 JTIYXQABPSWGDD-GOSISDBHSA-N 404.419 1.912 30 10 HDEE CN(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1314673254 KGCKGWVTMAPNNN-SFHVURJKSA-N 403.575 1.621 30 10 HDEE COCCOC[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316256079 ANPXJOXVYFDENB-JKSUJKDBSA-N 401.467 1.784 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1316488765 ACJVKAIKGLNSNU-QPQFLAEFSA-N 418.473 1.840 30 10 HDEE C=CCO[C@H]1CCN(Cn2nc(N3CCOCC3)n(C[C@H]3CCCO3)c2=S)C1 1320887780 HLEMHLKYRVHYCA-SJORKVTESA-N 409.556 1.664 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 1325228848 UBQMTWUTBVYCQE-KRWDZBQOSA-N 412.490 1.120 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1359099250 LLQIGHOYLLYDEH-SCTDSRPQSA-N 419.526 1.058 30 10 HDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1359135540 HFQUWPWKOJITNE-UHFFFAOYSA-N 404.536 1.891 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1359136949 ZZGYDSDRBAVWBA-DYESRHJHSA-N 422.526 1.912 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359188805 VIVKUPBNLWTBDA-QRWLVFNGSA-N 421.567 1.499 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C)C1CC1 1359246779 LEGQFAWLKQLMSI-LIRRHRJNSA-N 411.572 1.984 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1359303143 FOPPSENOAWWFRJ-UHFFFAOYSA-N 422.533 1.932 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)n(C)c2=O)C1 1359312143 OMGWOFKJGDRLBE-QGZVFWFLSA-N 414.510 1.253 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1359475421 KGDJYJBZTJNOCN-MVZUJROASA-N 420.477 1.386 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CCN(C(=O)COc2ccccc2)CC1)C(=O)OC 1448496150 OPMAIXRQFQUSHK-GOSISDBHSA-N 404.463 1.164 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1C 1452948466 UZUPLDGMZPAPOU-IBGZPJMESA-N 401.488 1.645 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 1455774361 XGLYIFJISYTJIW-SIKLNZKXSA-N 410.495 1.638 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)c1 1457815681 AMMWBUSGRVYBSY-FUHWJXTLSA-N 400.460 1.268 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1459784381 CURJFDGEVBRQLI-INIZCTEOSA-N 400.397 1.683 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@@H]3CCCOC3)CC2)cc1 1461777545 JSJMZVDJXXQKHC-KRWDZBQOSA-N 405.520 1.892 30 10 HDEE C=C(C)C[C@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OC 1462164303 OFTROSZPBHBSII-HNNXBMFYSA-N 407.492 1.472 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)c1 1462859241 JPWGOXOPWFGQOD-UHFFFAOYSA-N 410.835 1.960 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1467532415 SUVSURCUHPURLF-IIBYNOLFSA-N 420.510 1.778 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)cc1 1468009028 IFOCXVOEJCAAGC-GOSISDBHSA-N 409.471 1.278 30 10 HDEE C[C@H](NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1)[C@H]1CN(C)CCN1C 1471600177 HCIGQOZCTDMJOZ-HNAYVOBHSA-N 403.502 1.884 30 10 HDEE CS[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1505162776 AJZMIHRKLKVZOQ-HNNXBMFYSA-N 414.535 1.863 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1507601497 RWFZSPJZFFAJTC-HUUCEWRRSA-N 405.528 1.040 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)N1CCCC1 1507612599 XSGAGBALVREESO-GOSISDBHSA-N 405.510 1.865 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1507635526 WVDDVUAVMVTPGR-SQNIBIBYSA-N 408.568 1.776 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1507810124 ZIDGJXATMRCEAP-OYSTVDSJSA-N 417.510 1.712 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1507962646 VKMAFZOVHWSFDP-KRWDZBQOSA-N 401.515 1.624 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508095672 ZBOGSLITISCDHL-QAPCUYQASA-N 415.494 1.375 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)F 1508425777 CCNNXMNXRHULTB-LBPRGKRZSA-N 410.400 1.973 30 10 HDEE CC(C)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1508997918 VNEZYBDXLCIWOC-ZPHPHTNESA-N 401.515 1.458 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1509938632 HMLVRRUOOYQISB-SZNDQCEHSA-N 422.493 1.675 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCCCCO)cc1 1521095842 RDOZDHRFDNTQTJ-HXUWFJFHSA-N 410.522 1.890 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(C#N)cc2)C1 1532210784 YEMNUWNZOLVUFZ-OXQOHEQNSA-N 419.503 1.456 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1539172148 UMKFBBDRRUHWMI-UHFFFAOYSA-N 400.483 1.186 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539203437 PSVNTBGSOTZEEG-UGNRZPKXSA-N 420.579 1.969 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(N(C)C)CCSC1 1539232598 JHLPUDVEMWUIMA-OAQYLSRUSA-N 416.595 1.707 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1539265523 HHZIRXGVKQIJFC-HNNXBMFYSA-N 403.895 1.350 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1539266202 NNUIBIGXCJQMGD-AVRDEDQJSA-N 424.526 1.087 30 10 HDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C(N)=O)C1 1540005882 PAJMBOWFZHTLFF-QGZVFWFLSA-N 410.526 1.730 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540013168 LOYPQLYFGZBYFY-UHFFFAOYSA-N 423.525 1.693 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@@H]2C1 1540039855 IGSBGNMSNHKBKW-GOSISDBHSA-N 402.543 1.668 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nc1 1540608497 BQWSNFXENPUJJD-UHFFFAOYSA-N 419.894 1.552 30 10 HDEE Cc1csc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)n1 1540810767 QXTCZKJPZHDVQS-UHFFFAOYSA-N 408.480 1.850 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)NC2CC2)cc1 1542482685 AVBLKPOZJIOAKZ-IBGZPJMESA-N 424.505 1.953 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)s1 1543109404 HJTGBUXMBBEVHW-LBPRGKRZSA-N 410.507 1.920 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3n[nH]cc3C(F)(F)F)CC2)cc1 1543121348 IDXUVSCJWXIOCT-UHFFFAOYSA-N 413.381 1.447 30 10 HDEE CNC(=O)[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1543358493 BJHWOFLHRBFWAZ-XAHBDIOTSA-N 404.511 1.758 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1544542529 NDNBMUITRSMUJC-MRXNPFEDSA-N 406.527 1.058 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1545689629 GJMYBKXXWYVYPL-WMLDXEAASA-N 409.494 1.433 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546601570 CNDSLCOKUPDOSR-VAKVLEPSSA-N 414.510 1.933 30 10 HDEE CCCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1547262506 RMRPABVASUBUHX-RTWAWAEBSA-N 418.542 1.975 30 10 HDEE CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555934758 SHUSOBVJGLSXEE-GDBMZVCRSA-N 424.596 1.110 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCSCCCO)CC1 1555991439 TZERWDSUOWKKRK-UHFFFAOYSA-N 415.523 1.781 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cccc(Br)n2)CCO1 1555993150 JBGITXGHONQKAD-GXTWGEPZSA-N 419.283 1.717 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 1558330107 YHGFYDBTDWZRPO-MOPGFXCFSA-N 415.490 1.448 30 10 HDEE CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1558643222 PRYHGQOIYQLLFH-KYNGSXCRSA-N 411.524 1.563 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1Br)C(=O)OC 1561641419 NHGKLXSVFBUAGO-LLVKDONJSA-N 404.238 1.079 30 10 HDEE CCN1CCC[C@@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1=O 1565387697 LZLRLIKEMQHGHW-LJQANCHMSA-N 423.521 1.877 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@H]3CCOC3)CC2)c1 1565808927 YWMLMRKHZMYFDR-CQSZACIVSA-N 409.483 1.354 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1568995238 NNJWLJBZVQFWEF-KRWDZBQOSA-N 405.520 1.858 30 10 HDEE C=CCC1(C(=O)N2CC[C@@]3(CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)CCO3)C2)CCC1 1571971102 GHKWTBJMZIWZGZ-KLBCSMCRSA-N 400.519 1.986 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CCN2CCN(C(C)C)CC2)cc(OC)c1OC 1583889256 YNVHOUPOPMNWGP-KRWDZBQOSA-N 404.511 1.809 30 10 HDEE CO[C@@]1(CO)CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1583986072 GJZPCUBPRYWKQH-FQEVSTJZSA-N 423.535 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1587639448 LVHKHRADUHYQBP-DLBZAZTESA-N 401.536 1.974 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1587989785 PBHPQWBLADBWFV-CYBMUJFWSA-N 402.505 1.303 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(O)(CCC)CCC 1588228890 NATBDWMIDZZJOE-GOSISDBHSA-N 420.579 1.974 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2Cc2cc(C)nn2C)CC1 1588929954 JUVKUKZLVGHOFT-UHFFFAOYSA-N 411.554 1.923 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1589042574 GVZLINPSNYOUQM-OAHLLOKOSA-N 412.519 1.534 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589053858 VZAMRZRYQSJQQO-NVXWUHKLSA-N 415.519 1.375 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nccs1 1589151074 QLSXRVKCHYKIQO-KBXCAEBGSA-N 422.580 1.970 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1593757420 DFUUUZYJYJMUBI-NRFANRHFSA-N 416.526 1.638 30 10 HDEE C=C(Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCCS(C)(=O)=O)c1ccccc1 1593789279 KATOBEVRDJYVLA-KRWDZBQOSA-N 417.535 1.814 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1593884086 BJWJIPFJDQKZKT-CHWSQXEVSA-N 421.976 1.305 30 10 HDEE Cc1nc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nn1-c1n[nH]c(C(F)(F)F)n1 1598208723 QPAHBNXDMJRNEW-UHFFFAOYSA-N 411.344 1.191 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1598222399 YGPXKDGNKQRANJ-PLMTUMEDSA-N 402.543 1.756 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1603670276 QGEOYMMRDFHPQU-IAQYHMDHSA-N 403.382 1.549 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1611287280 SHJRODNAIIOGDE-HNNXBMFYSA-N 401.515 1.559 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)CN(C)C1=O 1611292310 MPZOMADEPMGMGJ-VBKZILBWSA-N 420.481 1.137 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1614185774 AVZQRTOIKRUYAU-HYLQGWQCSA-N 414.510 1.935 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)cc1Cl 1617125229 KQGLOXWFNPQCFY-GFCCVEGCSA-N 410.821 1.802 30 10 HDEE N#C[C@]12CN(C(=O)c3sc(N4CCCC4)nc3Cl)C[C@H]1CS(=O)(=O)C2 1618171841 PDALPOXITOWBJI-ZUZCIYMTSA-N 400.913 1.407 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCOC2)cc1 1620350493 KWSHZKDQABHMGF-INIZCTEOSA-N 410.478 1.324 30 10 HDEE CCc1nc2ccccc2n1[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1625611326 GIPZWGAPTPXQFN-MRXNPFEDSA-N 420.473 1.986 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(C)=O)CC1 1625641803 KIWNDXZEQXQLOZ-HNNXBMFYSA-N 402.923 1.303 30 10 HDEE CC1=C(C)C(=O)N(CCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1626475527 SCWVPJIOBKHEQB-UHFFFAOYSA-N 408.458 1.831 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1627428088 WTOPBYCAHBGGSK-CYBMUJFWSA-N 423.311 1.403 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1633141207 SYHZALXHSFKZKV-MOPGFXCFSA-N 400.475 1.789 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1634543170 JJTABFPCDBNEKR-JKSUJKDBSA-N 412.531 1.783 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cc(C2CC2)nc(SC)c1C#N 1637463070 HOKZBUSJCNSBJO-INIZCTEOSA-N 418.519 1.986 30 10 HDEE CCC[C@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637930802 CROLTKBLRJUPTP-WZHMAMEKSA-N 404.511 1.900 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CO)Cc3cncs3)C2)C1 1641768528 FWHBVPRDDUOVTM-YCTJDYOESA-N 420.535 1.950 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cccc(NC(C)=O)c3C2)cc1 1642621463 UEVFNLYTTIZEGG-UHFFFAOYSA-N 411.483 1.755 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2(c3nn[nH]n3)CCC2)C1 1643874743 BUEUXYCWDIBYLX-UHFFFAOYSA-N 402.256 1.466 30 10 HDEE CC(C)n1cc(CNC(=O)COc2cccc(Br)c2C#N)c(O)nc1=O 1644309774 BWGIRMVKIMWFJP-UHFFFAOYSA-N 421.251 1.859 30 10 HDEE Cn1ccc(Nc2ccccc2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 1644455689 XKZNSZNFHWRMDB-UHFFFAOYSA-N 410.459 1.952 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)c(=O)nc1O 1648696161 KGAHOCXBJZDXAQ-LJQANCHMSA-N 409.490 1.772 30 10 HDEE O=C(NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C1CCCCC1 1649041820 YGHOGEUJSXCSBM-UHFFFAOYSA-N 401.463 1.977 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)ccc1F 1650841379 XTLYDVKELYAANM-HNNXBMFYSA-N 412.483 1.294 30 10 HDEE Cc1nc(SCC(=O)NCCn2cc(C#N)c(O)nc2=O)[nH]c1Cc1ccccc1 1654739900 CYDZCJRGJOVQBN-UHFFFAOYSA-N 424.486 1.351 30 10 HDEE COC(=O)[C@]1(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1655121049 HXWCEKQTXMFGRK-IBGZPJMESA-N 406.870 1.100 30 10 HDEE CC(C)Oc1cncc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1655204336 BAKFNSDZBUVLIT-LJQANCHMSA-N 414.487 1.820 30 10 HDEE C=CC[C@H]1CCN1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1656410793 ICTDOCHGHJTSTI-AWEZNQCLSA-N 413.927 1.950 30 10 HDEE CC1(C)CS(=O)(=O)CCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1658377792 FDNCXIQVKZKFLS-UHFFFAOYSA-N 402.438 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CC(=O)NCc3ccc(C#N)cc3)C2)C1 1660141574 JVBZGOVLNPTSEQ-QFIPXVFZSA-N 414.506 1.886 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1661877646 FOESBGZSHSYTNV-ALOPSCKCSA-N 408.499 1.368 30 10 HDEE C#CCN1CCC[C@@H](NC2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)C1 1665644989 ICWAJWHFQIDLCM-HXUWFJFHSA-N 418.563 1.485 30 10 HDEE C=CC[C@@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccncc1 1669191597 KFTJTSRSCTZFCH-LJQANCHMSA-N 409.490 1.773 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)CC1 1670912230 DTKUWXDQZWAUHU-SHTZXODSSA-N 409.508 1.933 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCNC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1673839431 VXSRZHYHBWZLHA-WMLDXEAASA-N 404.492 1.109 30 10 HDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 1681724779 RQGXQHPGSMKHNF-LJQANCHMSA-N 422.551 1.104 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O)C1CCOCC1 1682893070 JFPHLYRTFNBDDI-KGLIPLIRSA-N 407.268 1.435 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@H]4CCC[C@H]4O3)CC2)cc1 1683821429 ZZFBAPYHAOAPCS-ZIFCJYIRSA-N 418.519 1.532 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 1687789110 UOGPAMKUUXPOKW-MGPUTAFESA-N 410.482 1.008 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689994518 ZVLILPGDCXXJTF-FUHWJXTLSA-N 417.535 1.173 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCc2cnn(C)c2)CC1 1690129232 RCINKJFPJHUPHO-UHFFFAOYSA-N 404.522 1.385 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@]2(O)CCOC2)CC1 1690135370 UZNYMUXTRVZHLW-HMFYCAOWSA-N 417.554 1.103 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCOC2)CC1 1690139949 GDTNBBFNWMBCAA-JOCHJYFZSA-N 409.490 1.062 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc(C)cs2)CC1 1690152233 CXUKJOQHIIYRPW-UHFFFAOYSA-N 402.524 1.594 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690294711 XIRVKNCVTWQQLO-KBPBESRZSA-N 400.508 1.561 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690496371 OVNJZIUJIFOPNU-UZLBHIALSA-N 404.515 1.499 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(CC)[C@@H](C)C1 1690663113 MJMSJEVYVASXLI-HNNXBMFYSA-N 413.482 1.686 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1690666879 JGWBZIZJGGKRLK-UHFFFAOYSA-N 415.457 1.782 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CC1 1695933697 RJANTIQZMOIZPY-UHFFFAOYSA-N 423.477 1.618 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1Cc1cn(C2COC2)nn1 1705557145 YPYQXVVRAPIKIS-UHFFFAOYSA-N 407.478 1.754 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705560979 PFGNWLQIEFKKHI-QGZVFWFLSA-N 424.567 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1705612811 PKEKZYKCGBHMSX-SJORKVTESA-N 407.540 1.427 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCC[C@H]2C)CC1 1705632042 GJJPCUZNRDZBNV-VGOFRKELSA-N 416.570 1.503 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1705841154 PPTRKBIBEDNAKA-UHFFFAOYSA-N 419.555 1.777 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOCC1 1708728808 HCZBYOUBQXOZTJ-FQEVSTJZSA-N 421.521 1.361 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1722274894 AVLAWLCWGDHTDS-IERDGZPVSA-N 415.494 1.800 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1722366073 QRWJYBCOCUOJSR-ZBFHGGJFSA-N 420.539 1.743 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722371610 YIQUPHCXMUGREP-INIZCTEOSA-N 416.526 1.650 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1722385150 BIDVHZHMSRELTF-KRWDZBQOSA-N 405.458 1.313 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1722402267 KOZRVRJKXADXOR-HNNXBMFYSA-N 418.523 1.377 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1C[C@@]1(O)CCOC1 1722424047 ZIABPXGSDBQMPV-IBGZPJMESA-N 408.861 1.975 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(C[S@](C)=O)cc1 1722425075 LIMUMJILTIFWDB-PMERELPUSA-N 424.530 1.748 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1722458598 OEHZZKIZKYSDCR-OAHLLOKOSA-N 404.540 1.044 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1722701460 QOXPIJBSDHLFTE-INIZCTEOSA-N 402.543 1.222 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1722842025 HOVSFFQUFABESM-SFHVURJKSA-N 410.478 1.073 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726567586 PUBFGUNOAVPJGH-MCYOWCNASA-N 400.483 1.545 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1730876204 NDYCJQMHCTULKJ-QZTJIDSGSA-N 420.558 1.853 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1730924549 WUIQWVKXQJRLEF-FQEVSTJZSA-N 417.441 1.821 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H]2COCCO2)CCO1 1731190693 SPJFYSBLFNUJRY-HUUCEWRRSA-N 404.858 1.528 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740552288 NSHFNAWULIXUPT-LSDHHAIUSA-N 405.499 1.534 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC1CC1 1740556226 BVWGEYVMXNFYOT-OAHLLOKOSA-N 404.540 1.422 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCO[C@H]1CCOC1 1740659448 ZDVUSYCGXFWFRX-FQEVSTJZSA-N 410.522 1.798 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1740660392 PUCRWBLFJWPUKI-UHFFFAOYSA-N 409.372 1.063 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1740786928 TVULWIAUVPVZLM-UHFFFAOYSA-N 406.531 1.362 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740885786 OAHHSFIADCRGTQ-INIZCTEOSA-N 402.499 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1740993218 ZQTGAEOUSAXMAN-HNNXBMFYSA-N 413.544 1.354 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CC(C)(C)C(=O)NC)CC1 1749010300 LNRDFMQFOYXQCX-UHFFFAOYSA-N 422.533 1.683 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1749072276 KLHLCBUHKWVWIG-WOJBJXKFSA-N 406.552 1.553 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1749304751 FMZMIWOEHWEZRU-QZQOTICOSA-N 419.489 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CC1CC1 1749667220 ULBUJABMTNHNDE-UHFFFAOYSA-N 421.505 1.823 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1749683244 MVQANMOGTXTHOY-OAHLLOKOSA-N 404.515 1.127 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(=O)N(C)C)C1 1749709990 VDJUXFWFSFTQPE-CQSZACIVSA-N 416.482 1.265 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)CCO1 1750389209 XIMQCTRZWLJLRU-QZTJIDSGSA-N 410.478 1.217 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1760122848 SWGPVUNRTGHJDA-HIFRSBDPSA-N 414.535 1.642 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1760186075 KEOUCSLBFQXYKS-MRXNPFEDSA-N 403.508 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCO2 1760217650 IUMWBOHOQXSJHZ-KRWDZBQOSA-N 405.458 1.512 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1760235620 RQSVMTMYBMEBFS-LJQANCHMSA-N 424.473 1.156 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1CCS(=O)(=O)CC1 1760246648 XQQPXDLZTIAGIL-UHFFFAOYSA-N 403.508 1.251 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(=O)N1CCOCC1 1760287350 PEVIPJGEVASNAV-OAQYLSRUSA-N 416.526 1.047 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760351934 MRQVKTGZZKNOHC-MRXNPFEDSA-N 404.515 1.210 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](CC)C1 1760352778 XYQXVVZPGKJTFV-HUUCEWRRSA-N 417.601 1.813 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCNS(C)(=O)=O 1760454354 GHYDACOPDQQMEF-UHFFFAOYSA-N 415.523 1.897 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)CC)CC1 1760522677 AKQKRKBBLQPBCQ-UHFFFAOYSA-N 400.531 1.291 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCN2CCC(O)CC2)C1 1760544846 IGTLVCWQVBWZIX-HXUWFJFHSA-N 412.538 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760549104 WKJDHQCMVNGTOT-GJZGRUSLSA-N 413.544 1.669 30 10 HDEE CCOCc1nnc(N(C)CC2CC(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1766240333 GQCOZHCHNFKDLC-ZCXUNETKSA-N 406.462 1.525 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1768199838 DXYATRGCAYWSOF-UHFFFAOYSA-N 410.478 1.480 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@H]1COCCO1 1769846861 JTTHJBVWWPUPNU-INIZCTEOSA-N 406.512 1.416 30 10 HDEE COC1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1770572815 KQYUBPWBLQXAAF-JCYILVPMSA-N 402.499 1.448 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc3c(c2)CCN3C(=O)COC)c1 1772510641 KUJHPFPKUWWVHN-UHFFFAOYSA-N 406.442 1.964 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCc4[nH]nc(C#N)c4C3)C2)cc1 1849458459 ZDOPZCIRRKHNPY-HNNXBMFYSA-N 413.503 1.575 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)c1 1849552191 RRMPLNVBODYJND-UHFFFAOYSA-N 422.510 1.904 30 10 HDEE O=C(CCN1C(=O)c2ccccc2S1(=O)=O)NCC#CCN1CCCCCC1 1850059520 ZRMFAMKGYMCHLU-UHFFFAOYSA-N 403.504 1.217 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1850221633 RMPBMAHVJBAMFX-SFHVURJKSA-N 408.499 1.331 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(CCC#N)CC1 1850848096 TXLVLZLHAUPISS-MRXNPFEDSA-N 406.552 1.709 30 10 HDEE Cc1ccn(-c2cc(N3CCN(CC(=O)Nc4ccc(CC#N)cc4)CC3)ncn2)n1 1851445320 OIOCBGHGJHQWMC-UHFFFAOYSA-N 416.489 1.798 30 10 HDEE C[C@@H](COC(=O)C1CCN(c2ccccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852004026 VGDYQBZXBYFLJO-INIZCTEOSA-N 405.520 1.437 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)NN1c1ccc(Cl)cn1 1852495795 VODSTDYEIZMYPN-ZIAGYGMSSA-N 418.929 1.706 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3C[C@H]3C(=O)N3CCc4ccccc43)CC2)n1 1852910651 LCFYLKUHYZZACY-ZWKOTPCHSA-N 402.458 1.222 30 10 HDEE CC(=O)N1CCC(CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1853070250 NZXJTNKTNAYNJU-JOCHJYFZSA-N 401.507 1.913 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1853652384 AIQNCBDRBSPTTI-HOCLYGCPSA-N 418.519 1.148 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc(C)no3)C3(CCCCC3)C2=O)CC1=O 1853890915 MSQJINRBOAWPNP-INIZCTEOSA-N 415.494 1.286 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CCC[C@@H](N(C)CCC#N)C3=O)ccc2=O)cc1 1854269954 UJRHYJRAAATIAH-LJQANCHMSA-N 407.474 1.577 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN([C@@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854956656 QMRVKDQGIQHGPH-DLBZAZTESA-N 414.506 1.755 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC[C@H]1CCCO1 1855958963 HPWFAHNHIFFAGC-OAHLLOKOSA-N 405.476 1.596 30 10 HDEE CC(C)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OC1=O 1856350339 QTQWLBQMWGDXIL-INIZCTEOSA-N 405.476 1.962 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccccc3)C(=O)O2)CC1 1856596307 FHLXLKNKPCKLGS-KRWDZBQOSA-N 405.476 1.532 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(CC(=O)C4CC4)CC3)CCC2=O)cc1 1856949067 WYODFALZZGSEGJ-SFHVURJKSA-N 408.502 1.534 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@H]1CCN(C)C1=O 1857055137 AFSOELBMOCLRGB-QAPCUYQASA-N 417.481 1.932 30 10 HDEE Cc1cnn(C)c1C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O 1857251399 GOIRHYQKVOPUDA-MRXNPFEDSA-N 406.490 1.864 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCc4ccc(F)cc4C3)ccc21 1857326178 JDGURPKGESPQTK-UHFFFAOYSA-N 413.430 1.902 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1OC 1858298691 WCJLXKFXFVTGFB-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE N#CCOc1ccc(C(=O)Nc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1865939685 IKTFJRBTYHAJPM-GOSISDBHSA-N 418.409 1.602 30 10 HDEE Cc1cnc(C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCN(C)CC3)cc2)cn1 1870152874 PDKRRSOPAFINHZ-UHFFFAOYSA-N 403.450 1.242 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@@H]2CCCO2)cn1C[C@H](C)O 1870543540 ACGRPDMDZOAUTO-HKUYNNGSSA-N 419.522 1.077 30 10 HDEE Cc1nnc(SCC(=O)NC2CCCC2)n(/N=C/c2ccc3nccnc3c2)c1=O 1873495649 XOVONSMHOKAPRI-FOKLQQMPSA-N 423.502 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H](CS)C(=O)O)[C@@](C)(C(F)(F)F)C1 1882729023 HZSKPAWOWQCYLY-FZNYLWTLSA-N 400.419 1.921 30 10 HDEE O=C1CCC(=O)N1c1ccc(S(=O)(=O)NCC#CCN2CCCCCC2)cc1 1889298801 JJWFGXOPPYBXOB-UHFFFAOYSA-N 403.504 1.498 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(OC)ccn3)CC2)CC1 1889303336 JQPYHDCCUHWZPO-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889391088 WUPKZGZPFMUKGI-JKSUJKDBSA-N 411.487 1.789 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261030 KDKQVNVNXUFBGB-YRVVQQKDSA-N 410.320 1.957 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)nn1 2017701523 ICXONNBRJGDBOO-NSHDSACASA-N 400.277 1.464 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2029231780 ZGQAIPQBXYPDAM-MRXNPFEDSA-N 408.476 1.792 30 10 HDEE C=CCC1(NC(=O)c2nc[nH]c3nccc2-3)CCN(C(=O)CCn2ccc(=N)[nH]2)CC1 2080497359 ZJUBSRGTLXYKIV-UHFFFAOYSA-N 422.493 1.276 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2118172496 WBOHLGUVRKANBY-NCXUSEDFSA-N 418.519 1.856 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O 2151776436 QKCORVGIRGGHCH-ZDUSSCGKSA-N 401.416 1.344 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CC[C@@H]1NC(=O)OC(C)(C)C 2174781405 FQQVDLPXJHKPCT-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174784006 JIRVGTNUVQOVBW-QGZVFWFLSA-N 401.529 1.873 30 10 HDEE C[C@@H](NS(=O)(=O)CC1(C#N)CCOCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2174789738 USGJNEQFPOKLFR-CABCVRRESA-N 401.529 1.872 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](C)[C@@H](CS(N)(=O)=O)C2)C1 2183036168 ORUPEWWAAJEYDO-UONOGXRCSA-N 401.529 1.231 30 10 HDEE COC(=O)CCS(=O)(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625868 DCJITDLWSSRBPV-LLVKDONJSA-N 403.331 1.591 30 10 HDEE C[C@@H](NC(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2203126761 SCRDMINDKLVQBO-MNOVXSKESA-N 402.347 1.798 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc(N)cc1Br 2237185993 BDKCSNCDVRTJKU-SECBINFHSA-N 424.114 1.817 30 10 HDEE CN(CCNC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243417394 OPLZVQQZBSSMGJ-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CO[C@H]1C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243675365 VTXKHVVAURHOLW-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE CO[C@H]1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243677405 VTXKHVVAURHOLW-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@@H]1NC(=O)OC(C)(C)C 2247823140 MGZXZCBKQZLIOE-JSGCOSHPSA-N 420.319 1.694 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247827009 CZHGAONNFPETNX-STQMWFEESA-N 420.319 1.837 30 10 HDEE Cn1nc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247920791 DBAQKZHFSGOLDC-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCS[C@@H](CO)C3)c2)OC1(C)C 2267714644 ZBRGTXKNLIDSIE-GFCCVEGCSA-N 405.372 1.146 30 10 HDEE N#CCc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270506921 AMTJDWOQFFAZGL-QGZVFWFLSA-N 417.443 1.874 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@@H](C)CNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282302605 XRYOADNZHKVTNR-BETUJISGSA-N 400.375 1.727 30 10 HDEE CCN(CC1(O)CCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331341 MHUYCGNKWDPSMP-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282338621 SNYXVYAKWSOWRC-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)[C@@H](N)C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353561 IHRSMBQLKAEODV-NEPJUHHUSA-N 400.375 1.699 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282494543 ZCAXQAYQWVHBGJ-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498110 ZEBFTGHGYZZPAY-KRWDZBQOSA-N 401.359 1.900 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282504312 NBGNURKFWSBFRC-VWLOTQADSA-N 421.415 1.711 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282516200 BMXQKRFVJPXZNX-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@@H](N)CC2)OC1(C)C 2282848638 QBWVVOUBOVWTQJ-OLZOCXBDSA-N 400.375 1.986 30 10 HDEE CC(C)C[C@@H](CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867192 VFNUXMAYZQBQOC-CYBMUJFWSA-N 403.375 1.980 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2CC(C)(N)C2)c1B1OC(C)(C)C(C)(C)O1 2282869934 KHXZCWSFERGRHB-UHFFFAOYSA-N 400.375 1.822 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284415640 YUCZGUNAHLLFFO-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE C=CCN1C(=O)C(=Cc2c(NC[C@H](C)O)nc3ccccn3c2=O)SC1=S 2296720307 MZLAWANMCHFUGO-NSHDSACASA-N 402.501 1.874 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)C2CNC2)n1C 2300296754 PLZYCZJRHSCCEP-UHFFFAOYSA-N 410.327 1.642 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@]2(O)CC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2319397987 MCWZRAFYRPDHGF-ZWOKBUDYSA-N 406.504 1.104 30 10 HDEE CCOC(=O)Cc1nnc(S)n(N=Cc2c(C(=O)O)[nH]c3ccccc23)c1=O 2321656255 RREPPDPYEJCVBD-UHFFFAOYSA-N 401.404 1.094 30 10 HDEE COc1cc([N+](=O)[O-])c(C=NNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1O 2323409841 PDLAOOPZSNQQSD-UHFFFAOYSA-N 411.392 1.639 30 10 HDEE O=C1CSC(=O)N1CCNC(=S)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 2330448473 ZZKWZBWASCPTBL-UHFFFAOYSA-N 401.857 1.742 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@H](O)c2nn(C)cc2I)n1 2363923836 IGOVPSMKIPBWDZ-MFKMUULPSA-N 402.261 1.456 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365210100 JEIALVBSSBUVLV-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367786377 HOVRQSFOWJQMFS-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](C#CC2(S(C)(=O)=O)CC2)OCCC(=O)O)C1 2367796940 SCUSIWAANFDXGF-AWEZNQCLSA-N 401.481 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367819605 YISCJXBTXAMBHM-BZUAXINKSA-N 400.541 1.435 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCC[C@H]1NC(=O)OC(C)(C)C 2372808545 UCBRUEGSVFDMEI-HBUWYVDXSA-N 402.513 1.562 30 10 HDEE CN(C)c1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 20527634 OOFJJOZANPCUIY-UFFVCSGVSA-N 414.495 1.505 30 10 HDEE C#CCOC[C@@H](O)CN(CCC)Cc1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1 36207266 NYZINMJEASGBOE-AWEZNQCLSA-N 421.519 1.692 30 10 HDEE C#CCN(CCC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 111046975 ROJSVYHINPXACC-LJQANCHMSA-N 414.531 1.940 30 10 HDEE CCN1CCN(Cc2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)CC1 301502535 FNIZTZKTYRITRO-UHFFFAOYSA-N 413.547 1.955 30 10 HDEE N#Cc1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nc1N1CC[C@@](O)(C(F)(F)F)C1 302873136 CUKWMASYRKEAHI-KBPBESRZSA-N 410.318 1.960 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NCCSCc1ccccc1C#N 410208697 ZERIXTYWIIUVHW-RDJZCZTQSA-N 410.565 1.809 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)N[C@](C)(C#N)C1CC1)c1ccc(S(C)(=O)=O)cc1 430271456 XVMUQUMYGYRPTM-WOJBJXKFSA-N 421.519 1.266 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)C1=O 440246746 TXRRRLXVALMUAM-INIZCTEOSA-N 401.463 1.826 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@H]2CCCO2)c1=O 440381045 LEEGQQVWSSSGET-OAHLLOKOSA-N 413.499 1.116 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)C1 443298872 UUJLLHZVLULLFH-GFCCVEGCSA-N 413.356 1.315 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(F)F)CC2)c(C#N)cn1CCOC 460124476 KUJYKVNSXREKEG-UHFFFAOYSA-N 413.425 1.597 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC(C)C 460542195 IVBMCOSBMZCNPT-INIZCTEOSA-N 415.560 1.296 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1cccc2c1OCCC2 467572333 ZVFFUAHACMISCQ-CQSZACIVSA-N 406.446 1.349 30 10 HDEE CCC1(CC)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC[S@@]1=O 469538876 ZOAPLKRGINSZTJ-NDEPHWFRSA-N 407.540 1.126 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3CCN(C)[C@H]3c3ccccc3)CC2)c1C#N 472051493 GXZUXLVKDGAALR-PMACEKPBSA-N 407.522 1.877 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(nnc3-c3cccnc3)C2)c1 481505430 DTHYMPRNIDGCIU-UHFFFAOYSA-N 424.486 1.460 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)CC2CCCCC2)CC1 507506160 SFTHYFYWFDRELV-UHFFFAOYSA-N 411.549 1.775 30 10 HDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCN(CC(=O)OC)CC1 508721957 BJVNGIKLUGBIGX-UHFFFAOYSA-N 407.478 1.816 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)C(CC)(CC)C1 508794779 MFRMRWRCXPECOK-UHFFFAOYSA-N 418.523 1.905 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccccc2)C1 508883661 CBOOYBBHCRGWSO-ZWKOTPCHSA-N 417.535 1.791 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cccc(C#N)n2)CC1 508915215 WLPILQPDVGYZNB-UHFFFAOYSA-N 408.510 1.976 30 10 HDEE CC(C)[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1C(=O)c2ccccc2C1=O 516845568 GYCYXALYEWGTES-LJQANCHMSA-N 417.469 1.923 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 518006123 ALOQRJINGGATNS-INIZCTEOSA-N 401.536 1.940 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1-c1ccc(F)cc1 520624477 JRNXEEMORCAENN-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE CCc1noc([C@@H](C)N2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n1 539160417 CCSHINBOWGBTDK-CYBMUJFWSA-N 414.470 1.125 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 540822248 GZZKKFZMYQUTBM-NRGCRIOASA-N 410.584 1.110 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)NCC(C)(C)N1CCS(=O)CC1 543350427 UKGSJFBYSUDETD-UHFFFAOYSA-N 408.524 1.548 30 10 HDEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)cc1 544492336 DLGHCNHXALHPGL-GOSISDBHSA-N 406.442 1.832 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(CC#N)cc2)CC3)CC1 555522874 YRWUWVBEGMYGIY-SFHVURJKSA-N 420.517 1.329 30 10 HDEE N#CCc1ccnc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 565867863 NIFHUUHSFPECAR-OWCLPIDISA-N 404.492 1.196 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](CC)CC#N 565942799 DTUOGLFHBROUER-HNNXBMFYSA-N 408.524 1.443 30 10 HDEE CON[N+](=O)CC(=O)N1CCCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 585088879 DZFGAEMJEORZNI-LJQANCHMSA-N 419.483 1.453 30 10 HDEE N#Cc1ccnc(OC2CN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 585248988 YKVFBQQIHSKZJL-CYBMUJFWSA-N 409.471 1.325 30 10 HDEE N#Cc1ccnnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@@H]2CCCC[C@H]2O)n1 585607561 CNZIEPWQBCPASX-RCCFBDPRSA-N 409.494 1.852 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C(F)(F)F)OC[C@H]1C 587405111 KPFQPSYUYMOFMS-SUNKGSAMSA-N 405.398 1.403 30 10 HDEE CN1C[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)[C@@H]2C1 590443043 JRKNCTMCHAXNPE-PKOBYXMFSA-N 402.520 1.121 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N=c3nc(C)[nH]n3-c3ccc(C#N)cc3)cc2C1=O 610109986 MEEOQNFHUXDIFJ-UHFFFAOYSA-N 412.409 1.904 30 10 HDEE CC1(C#N)CCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 612596453 XTNXSHSEANEDLG-UHFFFAOYSA-N 412.450 1.725 30 10 HDEE COc1ccc(CCN2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 619569762 KBAAQAOHRBLTLU-HXUWFJFHSA-N 419.485 1.454 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc(Cc3nc4cc(F)ccc4s3)no2)C1=O 680743986 BNJHWBLWNOXUJR-UHFFFAOYSA-N 401.379 1.886 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCc2sccc2C1 685547100 UYPYGVXKQCCRKE-OAHLLOKOSA-N 423.564 1.811 30 10 HDEE CCCN[C@@H](CC#CCOC)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 698994986 BZFGRTXDNJRLCN-IRXDYDNUSA-N 402.557 1.819 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)cc1 730225852 HNQBZGSSODIERE-HNNXBMFYSA-N 416.499 1.976 30 10 HDEE C#CCN(CC(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H]1CCS(=O)(=O)C1 731213713 PBUONBLJIZMWAI-UWJYYQICSA-N 420.531 1.393 30 10 HDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc(C(C)C)nc21 732664029 AYYNPEGWASESFA-CQSZACIVSA-N 410.478 1.453 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C)cc1 734921329 NMLORSMPSYSNMD-YLJYHZDGSA-N 412.446 1.414 30 10 HDEE CN(Cc1ccccc1)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742397971 UUMDZPHSKZTCQP-UHFFFAOYSA-N 413.503 1.580 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)C(=O)Nc1cnn(CC#N)c1)c1ccccc1 746421330 GWPMWOBBXWGSKM-INIZCTEOSA-N 412.450 1.727 30 10 HDEE O=C1c2ccccc2C(=O)N1CC=NNc1ccc(S(=O)(=O)N2CCCC2)cn1 755645321 OCXYDBQBMMQJAV-UHFFFAOYSA-N 413.459 1.560 30 10 HDEE NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 758313420 GEEYIGILCUTLKC-HIFRSBDPSA-N 406.508 1.056 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1CN1CCC[C@H]1CO 767312570 SLAWBFAADBHDHX-SFHVURJKSA-N 400.504 1.774 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cccc(C)c2C)N(CCc2nnnn2C)C1=O 771538521 OVUASASAQVMNFV-AWEZNQCLSA-N 401.496 1.137 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1)[C@H]1CCS(=O)(=O)C1 774193885 ASVYIUGLIFPDDB-PBHICJAKSA-N 405.476 1.536 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781649065 NTRVPGLOCSGWKX-UHFFFAOYSA-N 412.515 1.122 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(Cc3ccccc3)c2=O)cn1 781656086 ZHBFDYBBADGKGO-UHFFFAOYSA-N 418.522 1.954 30 10 HDEE N#Cc1cc(NC(=O)C(=O)Nc2ccc3nccn3c2)ccc1N1CCC(O)CC1 785004019 DJKPLQGQLDFUDK-UHFFFAOYSA-N 404.430 1.744 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(O)nc3ccc([N+](=O)[O-])cc23)n1 790106032 NGGZNVQTCADNTQ-UHFFFAOYSA-N 409.402 1.967 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCCN2S(=O)(=O)CCC)n1 790106233 YQNMOMZOPDYQLH-SFHVURJKSA-N 410.540 1.086 30 10 HDEE N#C[C@H](C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nccc2ccccc12 792094006 LIINTBOSDWPIAL-HOCLYGCPSA-N 410.455 1.577 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@H]3CCC[C@H]34)C2=O)CC1 799129439 QFOJOGWAEOAANE-KYGACCNGSA-N 420.517 1.779 30 10 HDEE COCCn1c(-c2ncccc2C)nnc1N1CCN(c2cccc(C#N)n2)CC1 802501530 HUMCBUKGHDUFPH-UHFFFAOYSA-N 404.478 1.888 30 10 HDEE N#Cc1ccc(NCCNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nc1 806412224 NNDIJDAOKWTPCF-INIZCTEOSA-N 414.491 1.128 30 10 HDEE N#C[C@H](C1=CC=CCN1)[C@@H]1C=CN[C@@H](N2CCN(Cc3ccc(F)c(F)c3)CC2)N1 1082164193 GTYJZDRYBGPXSI-VOQZNFBZSA-N 412.488 1.624 30 10 HDEE CC(=NNc1nc(SCC(=O)Nc2nncs2)n[nH]1)c1ccc2c(c1)OCO2 1084639741 NZYBKLHZMAPTOC-UHFFFAOYSA-N 418.464 1.952 30 10 HDEE CN1C[C@H](C(=O)Nc2ccc(F)cc2OCC#N)N(C(=O)OC(C)(C)C)CC1=O 1127173627 JUPBIOSWJFWVQY-CQSZACIVSA-N 406.414 1.744 30 10 HDEE N#C[C@@]12CN(C(=O)CSCc3coc(-c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1134275671 LUYMKEXPYKHNHF-KXBFYZLASA-N 417.512 1.972 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)C(=O)OC 1155779407 LPCPZEOQFAHXSC-CQSZACIVSA-N 410.377 1.651 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1ccccc1OCC#N 1161568361 FEULUYXINDUNNC-UHFFFAOYSA-N 407.423 1.526 30 10 HDEE C[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1166752456 UDNZWKBFZSVNQS-KGLIPLIRSA-N 402.517 1.066 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1221821482 NQRKNYVJIZFVMD-KURKYZTESA-N 416.526 1.315 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](CN2CCN(C)CC2)c2ccccc2)CC1 1226476625 DPYJSXZYUIDKLK-IBGZPJMESA-N 413.522 1.463 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)[C@H](C#N)C1 1233852751 MBQBFHOYFPFCMC-HUUCEWRRSA-N 408.499 1.366 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1245975209 WTYBJCGIPHNWRB-NRFANRHFSA-N 413.566 1.975 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1251230368 NIALLWIQTTWWLO-UHFFFAOYSA-N 406.490 1.326 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1286349045 DDBGLVIGIKBBTL-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1286387040 NCDBTRWCIUKJKI-HNNXBMFYSA-N 403.508 1.205 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1286387850 VEPIOHJUKGBEDK-INIZCTEOSA-N 417.535 1.215 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1286391213 GZBDCQJWCXOHPP-GOSISDBHSA-N 420.579 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1286425137 VDWLKNDRQSPFFC-UHFFFAOYSA-N 420.926 1.348 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286448196 XHAZQPKRWVTCAN-FQEVSTJZSA-N 423.565 1.666 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1286479938 YHLMDDBSBJEXIF-NRFANRHFSA-N 415.630 1.505 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1286509498 RMGYNHNKFLLMAC-ZDUSSCGKSA-N 411.578 1.640 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC1 1286516318 FXECSNHKWWXMCO-VQIMIIECSA-N 408.572 1.366 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)=O)CC1 1286683766 ZYHLBCLXWKNTRF-AWEZNQCLSA-N 412.560 1.350 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC1CCCCC1 1286768053 PARLDOWAHOITMP-INIZCTEOSA-N 404.515 1.317 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286809519 TZYYSSRVNOAZFB-SJORKVTESA-N 417.535 1.865 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC[C@H]21 1286814669 VNQBIOBFIRNJQD-GDBMZVCRSA-N 409.556 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1286825554 SMUAMLYYOGAUHM-LJQANCHMSA-N 423.539 1.271 30 10 HDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1287095459 GXOJDEGWIQYICR-UHFFFAOYSA-N 423.521 1.972 30 10 HDEE CC1(C)CN(CCn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCO1 1289042809 FUFYZZJQMHSLEU-NRFANRHFSA-N 413.501 1.817 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(CN3CCNC3=O)CC2)cc1 1289338819 DMOPKADXTBVQFR-UHFFFAOYSA-N 418.519 1.641 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)n1 1298865755 FLXHFGYFGWBDAC-HNNXBMFYSA-N 414.857 1.416 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)C1=O 1298878358 PZJJXWXSTBDKJM-GCJKJVERSA-N 424.505 1.822 30 10 HDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCC(=O)NC 1300357436 NTECAJLFGVCDAA-UHFFFAOYSA-N 407.478 1.970 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1300502032 POJLRTQZHFGFLJ-NLWGTHIKSA-N 420.579 1.918 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504138 KBSMUNWZLBGAAA-HLIPFELVSA-N 422.551 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCOCC1 1300523251 ZCJJNZVAHWAPSV-UHFFFAOYSA-N 407.474 1.469 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(=O)Nc1ccc(F)cc1 1300545741 WHLNZOGFCOPDLC-UHFFFAOYSA-N 408.437 1.251 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(OC)CCOC1 1300547725 BSVOXJPHYKWPFL-JOCHJYFZSA-N 410.474 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](CC)N2CCCC2)CC1 1300731333 ORVFIHFLCFGIAC-IBGZPJMESA-N 416.570 1.655 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301185788 KOBCAOKVKABLCS-HOTGVXAUSA-N 409.556 1.989 30 10 HDEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301541234 WXCQLXPVAXNOKF-IAGOWNOFSA-N 401.515 1.222 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3[C@H](C2)C3(C)C)n1Cc1ccc(C#N)o1 1303828281 UFRUQGIFUFEHCD-CQDKDKBSSA-N 404.496 1.493 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(C(=O)c3ccccc3Cl)CC2)c(=O)nc1O 1304917134 OOHXFTNWBNWZDQ-UHFFFAOYSA-N 414.849 1.986 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC12CCN(C(=O)OC(C)(C)C)CC2 1312353624 JDUXXUJLIIMOJO-UHFFFAOYSA-N 401.529 1.772 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1312485965 PGXPXJUYUJMLIE-HNNXBMFYSA-N 413.507 1.496 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)C1 1320320831 VBGSBXUOMQIXBO-QZTJIDSGSA-N 402.491 1.898 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1358938702 HXDPBYFSCFHUMP-HOTGVXAUSA-N 417.535 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H](C)C1 1358994501 OTDBDIQCRXJALZ-OKZBNKHCSA-N 404.536 1.458 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1359244064 PGPJITSQFNPAQC-HNENSFHCSA-N 410.482 1.288 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1359301647 FVDXGHDLTCTSED-UHFFFAOYSA-N 400.458 1.131 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359303672 WXSMPHLBZBSQJJ-OALUTQOASA-N 422.533 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCOC(C)(C)[C@@H]1C 1359327238 WGZBLFPTCABWHQ-AWEZNQCLSA-N 413.544 1.021 30 10 HDEE CC(C)=CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1359610359 BNSVIBBOSXREHL-QGZVFWFLSA-N 422.555 1.707 30 10 HDEE CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1Cc1ccc(C#N)o1 1359713882 BOBIAVVWQOHLFI-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCCC3)CC1 1449057654 FNGXZKZLOODTFN-UHFFFAOYSA-N 423.492 1.397 30 10 HDEE Cc1nsc(N2CCN(C(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)CC2)c1C#N 1457838598 VIBRLZIXGIKTGU-GOEBONIOSA-N 406.508 1.673 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccccc1N1CCCC1=O 1457953465 SAHGWVXLGHXNLJ-MRXNPFEDSA-N 404.474 1.755 30 10 HDEE C[C@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Cl)cc1Cl 1459192368 XPHAPUJMESDMCE-JTQLQIEISA-N 411.245 1.058 30 10 HDEE CCN(CC)C(=O)CN1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1463806134 HNJGVYQPACENES-UHFFFAOYSA-N 421.339 1.876 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)C(=O)OCc1ccccc1 1466604893 UOIVWFFENNSHAD-SJORKVTESA-N 404.463 1.514 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 1468297390 ROAMCLFGABODAE-UHFFFAOYSA-N 405.520 1.843 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)CCCc2ccccc2)CC1 1468863473 XRKBRDOCGFTTAO-UHFFFAOYSA-N 420.579 1.830 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cc(C4CC4)no3)CC2)cc1 1471312726 VORRHOCUKQPRKT-UHFFFAOYSA-N 415.475 1.640 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4ncon4)CC3)C2=O)cc1 1471965601 MTLJTGJAMGUMHM-MRXNPFEDSA-N 408.418 1.552 30 10 HDEE C#C[C@@H](NC(=O)NCC1(S(=O)(=O)N(C)C)CC1)c1ccc(Br)cc1 1478897113 VGCJGHUNTWNOBD-CQSZACIVSA-N 414.325 1.847 30 10 HDEE C[C@@H]1C[C@@H](CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCO1 1493294978 GTZPESNMRGKKMW-IKGGRYGDSA-N 402.499 1.334 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC1 1504886621 LNHYOSCFEAHOSF-UHFFFAOYSA-N 409.450 1.485 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C1 1505123509 HUSVFTMCJVTSEO-GOSISDBHSA-N 413.503 1.787 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4C[C@H]3CO4)n2CC(=O)NCC(F)(F)F)cc1 1505316171 WSPXWEOCSDBGFD-GJZGRUSLSA-N 420.395 1.863 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2(O)CCC2)cc1 1505317819 CMNUVQYPBZNTDA-MRXNPFEDSA-N 410.478 1.345 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(N2CCOCC2)CC1 1507644875 PDEYTYYMDXBUGN-UHFFFAOYSA-N 420.473 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC1(CS(C)(=O)=O)CC1 1507656458 IGYLDJNYZPNEKM-UHFFFAOYSA-N 410.543 1.961 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507686565 BHPGZYIWTBMCQC-HNNXBMFYSA-N 409.416 1.458 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@@H]1OC 1507713749 WCECPLCINMSKQX-OALUTQOASA-N 416.526 1.277 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@H]1CCO[C@H](C)C1 1507713770 WSLLRFXKCLUMFZ-MSOLQXFVSA-N 403.527 1.692 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1507843325 LJJYNXOBJBUFPR-QGZVFWFLSA-N 418.542 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)C1 1508110070 XMLYKBYDDMJYIU-OXJNMPFZSA-N 422.599 1.635 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1508148335 RKROFJXIWYURND-HZPDHXFCSA-N 412.556 1.982 30 10 HDEE Cn1cnc(Cn2c(CC(C)(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)n1 1517401135 CLEYGCNAYBSEOQ-UHFFFAOYSA-N 407.482 1.578 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@@H]2C)CC1 1519243728 IKOQCDIVZJNAGF-QFBILLFUSA-N 423.521 1.282 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1521130139 QVYVLQSNJVSYOI-WMLDXEAASA-N 414.441 1.679 30 10 HDEE C[C@@H](C(=O)NCc1cc(C#N)ccc1F)N1CCN(C(=O)OC(C)(C)C)CC1=O 1530895936 DIGCGNMICARUEV-ZDUSSCGKSA-N 404.442 1.781 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc1 1539118614 OXFGHRZSRLPXFM-KPZWWZAWSA-N 406.464 1.439 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1539203213 OGCWHASIXHOJAI-ZFWWWQNUSA-N 405.528 1.088 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CC2)CC1 1539481937 PZAVIDKKTHWEAT-MRXNPFEDSA-N 403.552 1.643 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CC[S@@](=O)CC 1539552647 YXUZFIDEVSGXCZ-GDJIYFAZSA-N 403.508 1.767 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539823893 LXVJNFIFYGRHAS-LSDHHAIUSA-N 417.963 1.990 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@H]2C1 1540039856 IGSBGNMSNHKBKW-SFHVURJKSA-N 402.543 1.668 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1540069548 RXELGAXHGAMCFF-HNAYVOBHSA-N 406.556 1.059 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(NS(C)(=O)=O)CC1 1540727509 WHJVCXVSDUQESW-OAHLLOKOSA-N 416.544 1.504 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C(F)(F)F)ccc2[N+](=O)[O-])CC1 1542893277 QRRPWZCVWSCAPZ-UHFFFAOYSA-N 412.368 1.511 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC=CCO2)cc1 1555991879 YZCOCBLGFMDCTQ-HKUYNNGSSA-N 422.489 1.776 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cccs2)CCO1 1555993368 NICZVIHRMXGXPB-CABCVRRESA-N 416.507 1.392 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2)C(=O)OC 1556375676 PDGWUEFKRPTSIX-BBRMVZONSA-N 422.482 1.496 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1556979679 HVXKQMXRJRDYNH-HZPDHXFCSA-N 410.511 1.825 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 1557125230 BRQGBJYKDUGJRT-UHFFFAOYSA-N 421.295 1.967 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)CC2)o1 1558025079 DKZZXIQTFCUCPB-QGZVFWFLSA-N 413.400 1.741 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)c1 1558304331 NTPYSLHICJYUGT-HNAYVOBHSA-N 412.483 1.904 30 10 HDEE N#Cc1ccc(C2(NCCC(=O)N3CCN(c4ncccn4)CC3)CCOCC2)cc1 1560062626 CUQDNGYRIUBPJK-UHFFFAOYSA-N 420.517 1.682 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1561866673 QQWZTIMJIZTCGO-IBGZPJMESA-N 420.531 1.825 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(I)s2)CC1 1561939736 AHGXABYUVDQVEX-UHFFFAOYSA-N 410.302 1.729 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1 1562373922 QPJMLPYPJJECGI-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE COCc1n[nH]c(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1565030757 IEYQHJQHGZEJMX-UHFFFAOYSA-N 421.465 1.245 30 10 HDEE Cc1nn(C)c(NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1586990841 HFJAIXABCXMLTQ-SECBINFHSA-N 416.235 1.986 30 10 HDEE Cn1cc(Br)c(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1=O 1586990938 KNFPPYRHOHOXQT-UHFFFAOYSA-N 413.235 1.912 30 10 HDEE C=C(C)C[C@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1587305228 FNXRWBKHJFCCND-LSDHHAIUSA-N 411.499 1.516 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1587561497 FBXRHKHNBTYKNS-CVEARBPZSA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1OC 1587909503 MKAPISRCHLRFGA-CABCVRRESA-N 421.523 1.434 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@@H](C)CC)c1 1587979361 POUKJXQBTGFOKR-MAUKXSAKSA-N 408.506 1.875 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588065132 VAFQBINMZHFCOX-NJAFHUGGSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1588138496 DTHVAYBFWKYAID-PKOBYXMFSA-N 415.563 1.270 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@H]2COCCO2)CC1 1588872218 ZNVVLZFIWVPXOO-QGZVFWFLSA-N 415.469 1.167 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1593625377 TUKBHZXXXAWLBY-CABCVRRESA-N 412.498 1.203 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(C)n1 1594560240 ZTMWWAKOXASEJM-HNNXBMFYSA-N 407.544 1.540 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1594645456 MSXCMTHZSBMXDH-RBUKOAKNSA-N 416.570 1.914 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1594962133 IVHNZVLQPOYUNM-HNNXBMFYSA-N 400.508 1.693 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1)C1CC1 1595070758 LRDHEDQBWMLRIV-WMZOPIPTSA-N 424.567 1.982 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CCO1 1596666937 NIRJXBNPGAJVQB-IBGZPJMESA-N 412.494 1.865 30 10 HDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1596730229 SHXHTBFEOZMYHG-UHFFFAOYSA-N 424.553 1.986 30 10 HDEE N#CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)Cc2ncon2)c1)C(F)(F)F 1596783201 IPLNULHFBKLFMM-NSHDSACASA-N 406.317 1.757 30 10 HDEE Cc1nn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)c(=O)o1 1596925109 KWFPCZYVKASZHV-PGMHBOJBSA-N 421.479 1.376 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ncn(C)n1 1609519297 RNTRUEBCXRCUTO-SJORKVTESA-N 419.493 1.337 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)C[C@H]1CS(=O)(=O)C2 1611159105 IGHIJSPVYHONJT-BUXKBTBVSA-N 421.425 1.949 30 10 HDEE COc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC(F)F 1611164829 JIPLPZJQTZCRRT-SJCJKPOMSA-N 400.403 1.236 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2nccs2)n1Cc1ccc(C#N)o1 1611666171 NQTMRZMGVULETO-NSHDSACASA-N 421.508 1.494 30 10 HDEE COC(=O)c1ccc(N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(C#N)n1 1613069202 UQAGQKXYSZEQJO-BMIGLBTASA-N 403.382 1.686 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc(Br)cc(F)c2F)c1=O 1613381121 YANLLNYOZWVHAI-UHFFFAOYSA-N 414.206 1.633 30 10 HDEE CCC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1)OC 1614410649 ADOQWGCREBBSNA-CABCVRRESA-N 418.523 1.813 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)CC1 1615208503 BISRGBLJHSUURT-UHFFFAOYSA-N 420.513 1.804 30 10 HDEE Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1616347993 UNUVVJHLUHOXMA-WYFZMLARSA-N 412.368 1.976 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1620351625 DCFFQZNOBCTDSX-KRWDZBQOSA-N 421.461 1.483 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 1623499133 RACTZHXYEWIFMT-OAHLLOKOSA-N 411.424 1.657 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1624465705 SQLDFYRTOUKFAR-HUUCEWRRSA-N 416.544 1.361 30 10 HDEE CC[C@H](COCC(F)(F)F)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624850544 NEQXKUNSHDXUAY-GFCCVEGCSA-N 421.441 1.979 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1 1625872369 HBCAGXRIILTKNB-SFHVURJKSA-N 402.516 1.862 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)cc1 1626731849 FUOWMPPTERSEHM-UHFFFAOYSA-N 415.475 1.695 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN(C(=O)C2CC2)C1 1626792585 SDIVZRIPNYMMID-UHFFFAOYSA-N 418.519 1.324 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCn2cncc2C1 1627265650 APNGJQUWOXBOCY-PBHICJAKSA-N 415.519 1.612 30 10 HDEE C=CCn1cc(C(=O)N2CCC(n3nncc3I)CC2)nn1 1629391079 CRGHIQCDYXTNHA-UHFFFAOYSA-N 413.223 1.138 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nc(C)cc(O)n3)CC2)c1 1634977271 BOLMFXXMAJGTEO-UHFFFAOYSA-N 414.487 1.250 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCO1 1639633406 DUYYRTDLDXWNCP-HNNXBMFYSA-N 406.291 1.803 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c(N)c1C#N 1639650386 KGFXXWIFQUHUPW-UHFFFAOYSA-N 410.434 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3[nH]c4ccccc4c3C#N)CC2=O)C1 1640089541 PPRAPVLAUIYQLG-CYBMUJFWSA-N 423.473 1.990 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)OCC 1643588690 FFJDEJZPPSTAER-UONOGXRCSA-N 403.907 1.728 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(c3ccc(C)cc3C)C2=O)c1 1643633023 FWPMQQWYWZERFN-UHFFFAOYSA-N 418.409 1.928 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3OCc3cscn3)C2)c(=O)nc1O 1648029158 ZSXIFLMWOUSZPI-UHFFFAOYSA-N 409.427 1.553 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155638 LCJOJUIRVZJNRT-NXEZDXNNSA-N 411.524 1.419 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3ncc(OC)c(O)n3)cc2C1=O 1648402082 IDIHMVFAXSKDBS-OAHLLOKOSA-N 408.414 1.950 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc(F)c3ccccc23)CC1 1650848658 CVYIXFKNYMQVOO-CSKARUKUSA-N 401.463 1.604 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2ccc(OC)cc2)cc1 1650962074 JCPRGPVVMGPHTH-UHFFFAOYSA-N 404.488 1.794 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@H]2CCC[C@H](C(F)(F)F)O2)c1=O 1652998300 NPBGDBSKUSQHLU-CHWSQXEVSA-N 417.384 1.723 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)cc(F)c2F)CC1 1654025095 AVXORDNYBCCRCO-UHFFFAOYSA-N 408.268 1.313 30 10 HDEE C[C@@H](CC#N)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1654068376 AHTQMOOVRJMTNR-HNNXBMFYSA-N 407.540 1.757 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cnc(Cl)cc1C(F)(F)F)C(=O)OC 1663037346 DPNKPHZFCOGBFX-SECBINFHSA-N 402.778 1.776 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1663697013 JVUTZHAFHJZATI-UHFFFAOYSA-N 403.570 1.613 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(Br)ccc1OCCOC 1664764903 PDRLFTDWSNDIBV-CYBMUJFWSA-N 406.298 1.791 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2CCN(CCC#N)CC2)c(C)c1NS(C)(=O)=O 1665598043 HMXNONRBABOMLW-UHFFFAOYSA-N 414.553 1.203 30 10 HDEE C#C[C@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)C1CCOCC1 1675294509 KRFHIYHFQXQPLR-LEWJYISDSA-N 401.507 1.796 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(Br)cc1 1682795418 WMPWGDNKUMZOMB-INIZCTEOSA-N 407.312 1.587 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)N[C@@H]3CCCc4cc(C#N)ccc43)CC2)CCOC1 1683424483 DIGWKSFBSATXDD-KNQAVFIVSA-N 412.490 1.595 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1)C(=O)N1CCOCC1 1683557868 SMSFRQAWKXFGBS-VQTJNVASSA-N 414.506 1.915 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1686738406 PHAFPYFMQXIDNA-UHFFFAOYSA-N 409.468 1.551 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(N)=O)cc1 1690045614 OASPTHOIWBQFSQ-QGZVFWFLSA-N 405.462 1.231 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)cc1OC 1690104336 TXZXCWFBKSXSKW-QGZVFWFLSA-N 400.479 1.934 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2csc(COC)n2)CC1 1690129412 WOFDSNASSKHSSV-UHFFFAOYSA-N 423.546 1.670 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](OCCOC)C1 1690170019 WPXBLNQCMKADBS-INIZCTEOSA-N 402.524 1.733 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1690360948 CHWOIPNWJJWFDQ-JONQDZQNSA-N 400.907 1.995 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1690671549 YOXBYEVVYNBUTN-WWMYMODYSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1690678067 JPKAKAAEKACQAW-FOIQADDNSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690715820 VUNWTZHSOFVFSN-OAHLLOKOSA-N 410.544 1.043 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1692869914 HMDSXNAYRBFEBS-DLBZAZTESA-N 404.515 1.012 30 10 HDEE CCN1CCN(CCCCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695898394 BDJJPHLWIUNWHC-WIYYLYMNSA-N 419.549 1.989 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(F)c2F)CCO1 1698490469 CJGUMQPYYGPVEM-HNNXBMFYSA-N 416.432 1.764 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1705476238 UGWKDJSPFRFOOB-GOSISDBHSA-N 424.549 1.961 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1705548194 YYXFTHABMQLUAS-NRFANRHFSA-N 405.543 1.235 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705549381 SSKZPCLXRDTLGX-UHFFFAOYSA-N 404.522 1.928 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)NC(C)C 1705578469 UEXQYXFQNKFVJH-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H](OC)C(F)(F)F)CC1 1705639612 SDCFYBUNYNKIBK-HZPDHXFCSA-N 415.460 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCSCC#C)CC1 1705649096 KEMRSNOMSZXDBM-UHFFFAOYSA-N 408.531 1.672 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NC1CCCCC1 1705666912 GBXIPEUAPZJTPS-JOCHJYFZSA-N 412.538 1.955 30 10 HDEE C=C(Br)Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NCC)CC1 1705680725 GEOQNWXSJYPSCE-ZDUSSCGKSA-N 413.364 1.958 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705693783 KILYWBSFZCOQBU-IPKUYHNJSA-N 417.554 1.995 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 1705707365 JXORVUMCRDYWST-DKKFBQAASA-N 419.526 1.310 30 10 HDEE C=C(Cl)Cn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1705745572 CVXFJFRRHNNKJE-UHFFFAOYSA-N 407.858 1.660 30 10 HDEE C=CC1CCN(c2nnc(COCC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705785591 OICIXXSCLMTHGU-VHEBQXMUSA-N 400.483 1.743 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1705825355 RGZKAZSNKQXWDP-QAPCUYQASA-N 413.544 1.098 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1[C@@]1(OCC)CCOC1 1705893956 WYEHDMDNOPUVDB-GHTZIAJQSA-N 416.526 1.835 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CC=CCC1 1705903108 QHRGBVOQKNMDBN-JKSUJKDBSA-N 407.540 1.275 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 1722329119 DPOBZEPOBISISS-GOSISDBHSA-N 413.478 1.327 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1722350151 NXFWSKXNANOYRL-LJQANCHMSA-N 417.473 1.970 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)COC 1722355600 ZHHVSJKUKODUMW-HZPDHXFCSA-N 407.515 1.938 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722361542 ZOZGKUIGMQFXRL-INIZCTEOSA-N 415.475 1.818 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(Cn2cccn2)cc1 1722369985 FIWRTUGXYVISSA-UHFFFAOYSA-N 415.501 1.782 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCC(OC)CC1 1722402940 IRFHLCNYAHBQON-UHFFFAOYSA-N 404.559 1.765 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1722414281 ZBPOXLZGUHXGLG-QGZVFWFLSA-N 412.519 1.759 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CC[C@H](F)C2)CC1 1722441122 LRLBPPYSLBIHHK-VJANTYMQSA-N 405.518 1.896 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1722574453 VSAUTFIOLYLMOR-UHFFFAOYSA-N 421.567 1.884 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)SC)C1 1722710359 HKXZWWKCJWSBTJ-UONOGXRCSA-N 417.601 1.811 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCc1cnn(C)n1 1727602080 DNNYWZWEVSTPOB-UHFFFAOYSA-N 423.500 1.939 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)cn1 1729573140 HNXQFOCLVYCVFK-HXUWFJFHSA-N 405.466 1.351 30 10 HDEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1730479124 HDSVJNYMYYNNLJ-QWHCGFSZSA-N 402.496 1.003 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCOCC1 1740557313 IPCSPPDCVYDWNG-KRWDZBQOSA-N 411.506 1.906 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1740574539 LRKCPXXSUIBDET-BEFAXECRSA-N 421.523 1.015 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740594515 OYQFFZAPQZKFCJ-NRFANRHFSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740610236 VAXALAPBNGBAKQ-HOTGVXAUSA-N 415.460 1.895 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1740639596 DJYIWINCHOTEFM-INIZCTEOSA-N 416.478 1.449 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C(N)=O)nc2)CC1 1740693696 IMTDNWHKWKRDCU-UHFFFAOYSA-N 401.474 1.243 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCOC2)CC1 1740706334 SEFFTVFKYGMSJY-MJGOQNOKSA-N 415.538 1.912 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(C)CCC)C1 1740716657 WFIYMZCVQHDWDF-IRXDYDNUSA-N 404.584 1.764 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740795312 SCWGJQFQTNHMSM-VSZNYVQBSA-N 424.567 1.634 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1740887200 FDKNHWPCLCLWLR-INIZCTEOSA-N 411.514 1.586 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCNC(=O)C1 1740952713 LWUUITNQEUQZPR-UHFFFAOYSA-N 405.462 1.040 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 1740979584 ALIGMDPZLWTPBA-RXVVDRJESA-N 402.470 1.941 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1740983006 ZOCVUSSKHOJMLY-KBPBESRZSA-N 420.482 1.243 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H]1OCCC1(C)C 1744689336 SSUUMUNJLMIFHO-QGZVFWFLSA-N 412.542 1.896 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](F)COC 1748794757 JPDUSRMRSPGWEX-IBGZPJMESA-N 414.529 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCC1 1748890659 SKWYJXIDLLWYGQ-UHFFFAOYSA-N 419.533 1.830 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC[C@H](CN2CCOCC2)C1 1749048586 RIDSYDSKFSWPIL-GOSISDBHSA-N 407.584 1.730 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749426458 CBDFRFBLNWUSJI-KRWDZBQOSA-N 411.510 1.569 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOCC1 1749727152 OAWCYSRVVHONIG-UHFFFAOYSA-N 422.507 1.400 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760189697 LCFSJLDHZZGPGT-RYQLBKOJSA-N 406.552 1.530 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1760192583 KHUVQFRFMIYFGV-SFHVURJKSA-N 402.520 1.798 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@H]2CCOC2)CC1 1760251782 HRCOGXSFAJEAEO-KRWDZBQOSA-N 402.543 1.378 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCC[C@@H]2C)CC1 1760269000 UZMLWBJJDIZTRL-KRWDZBQOSA-N 424.553 1.129 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1760438266 CTHICLMSCJVQHT-AWEZNQCLSA-N 416.555 1.936 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccoc2C)nnc1[C@]1(OCC)CCOC1 1760528281 XUYGIGUHHGVLOC-FQEVSTJZSA-N 403.483 1.770 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)Cc1ccccc1 1760690522 DBWZAXRSEAAODW-MRXNPFEDSA-N 406.494 1.933 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccc(C#N)o1 1761235461 AGYBYTDLAAIAAA-HNNXBMFYSA-N 408.466 1.106 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1761364314 SWOUHRWIWDQFNL-PMPSAXMXSA-N 411.528 1.114 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1OCCC1(C)C 1761473429 PVVHAIFLQRANCL-ZBFHGGJFSA-N 424.571 1.833 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1761540038 MGHWBCRUOBRMAB-CVEARBPZSA-N 419.457 1.685 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1761910703 DNMIFAZTBQUZMM-HOTGVXAUSA-N 418.523 1.499 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1762225292 BSSUHHWZSXLARG-VLIAUNLRSA-N 404.515 1.476 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@H](C)O1 1763081551 IBNJIVJQEUAZLO-GJZGRUSLSA-N 420.477 1.583 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1764685676 UKFHNHGWPCNFLU-OAQYLSRUSA-N 423.477 1.326 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCOC(C)C)CCOC1 1765923384 OOHYPIDOZDYETB-FXAWDEMLSA-N 407.515 1.864 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767938712 SRLYXQROOYQZPB-JKSUJKDBSA-N 404.471 1.337 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C#N 1769376006 DPUIIGLDBBLOGJ-ZDUSSCGKSA-N 410.931 1.667 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1770754518 XGCWHLSRKQQSKV-KRWDZBQOSA-N 416.526 1.584 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1771191331 OGFBAUJOQGKMRI-AWEZNQCLSA-N 416.482 1.620 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCCC1 1771342894 DWMFVDRNEHHBGA-WMLDXEAASA-N 411.503 1.581 30 10 HDEE C[C@@H]1CCc2nn3ccnc(N4CCN(C(=O)c5cnc(C#N)nc5)CC4)c3c2C1 1848520837 JUHFNHQSPHDAQF-CQSZACIVSA-N 402.462 1.478 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)OC[C@@H]3OCC(=O)NC3(C)C)n[nH]2)c1C 1849761678 NFSYKEIHQOYSFR-INIZCTEOSA-N 401.467 1.917 30 10 HDEE N#Cc1cc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccn1 1851167663 KTXBJGWSZBWVNK-UHFFFAOYSA-N 418.450 1.256 30 10 HDEE CC(C)(C)[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)N1CCS(=O)(=O)CC1 1851614162 WVNHONXPSBVVRS-QGZVFWFLSA-N 415.519 1.828 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCCC2 1853861653 VASZUHIXQJXIIV-UHFFFAOYSA-N 423.466 1.810 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccccc3F)C(=O)C2)cc1 1854037143 IJRGOBFMJUWZAW-UHFFFAOYSA-N 417.418 1.136 30 10 HDEE CN(CC(=O)N1CCN(Cc2ccc(C#N)cc2F)CC1=O)C(=O)OC(C)(C)C 1854259469 BUXZENVRPKHIQZ-UHFFFAOYSA-N 404.442 1.735 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854339299 RRDFPTZHWZFNHE-ZWKOTPCHSA-N 405.462 1.085 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(c4cncn4C)CC3)C2=O)CC1=O 1854341902 IEYJOSBPMLFUGW-ROUUACIJSA-N 413.522 1.152 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ncccn2)CC1 1855564949 XZPZIBPZDMMMHW-UHFFFAOYSA-N 412.471 1.937 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nc(-c2cccnc2)no1 1855910416 GGHDKBNAXRJXJG-AWEZNQCLSA-N 402.414 1.876 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4cocn4)CC3)CC2=O)CC1=O 1856055663 IOVIMOAVXRBWOP-IAGOWNOFSA-N 400.479 1.296 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)[C@H](C)C1=O 1857125725 SIQWIJUECZSJIQ-LSDHHAIUSA-N 406.504 1.972 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1C 1858313986 FOXHUFGCWNOXCL-QGZVFWFLSA-N 419.528 1.917 30 10 HDEE COC(=O)c1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858422124 NCSLHXGSQDCRNF-MRXNPFEDSA-N 413.455 1.994 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CCC)nn2C 1864320122 LAOPCPRCEUYWRX-KRWDZBQOSA-N 412.490 1.741 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)CCCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 1866341603 SRRTVELQVWEFKO-NSHDSACASA-N 402.363 1.186 30 10 HDEE C=C(C)CN([C@@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CC 1872271128 GCTSQCUTGBUXCD-KRWDZBQOSA-N 408.568 1.993 30 10 HDEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 1874341930 WHFTXKHWGUETRJ-ANKPHQHTSA-N 419.507 1.683 30 10 HDEE COc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)ccc1F 1889352893 FCDSOXXOOXKPNO-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE COc1ccc(OC)c(-c2ccc(=O)n(CC(=O)NCC#CCN3CCCC3)n2)c1 1890012096 CWTQMTOWXGOARE-UHFFFAOYSA-N 410.474 1.143 30 10 HDEE CN(CC1CCN(C(=O)c2ccc(N3CCOCC3)nn2)CC1)c1ncccc1C#N 1891065773 JMCNKEXYDNRYHY-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1892101073 CXPPRSNGPBDINA-AEFFLSMTSA-N 421.475 1.389 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)s1 1924404649 RGTYITXQHNFTGX-UHFFFAOYSA-N 402.307 1.209 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCO[C@H]21 1982297841 IYYADLUAURUNNN-DDHJBXDOSA-N 411.318 1.495 30 10 HDEE NC(=NO)c1nccn1-c1ncc(I)cc1Br 2015764037 GZDLSDPGTNFAPE-UHFFFAOYSA-N 407.997 1.729 30 10 HDEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(-c2ccnc(C#N)c2)c1O 2080624064 OYQZPTCAOCVFGL-UHFFFAOYSA-N 400.353 1.139 30 10 HDEE COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2162601976 ZEHCTGNJSOZKSH-MGPQQGTHSA-N 401.485 1.103 30 10 HDEE CC1(C)OB(c2nc(NC(=O)C3(S(C)(=O)=O)CC3)ccc2Cl)OC1(C)C 2241217900 HCCTUPHQBHGENY-UHFFFAOYSA-N 400.693 1.550 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CC(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243676325 ICFSOMPNFYZWOD-UHFFFAOYSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCCO1 2243678982 QPNHWGBJEOVXDO-FQEVSTJZSA-N 408.304 1.811 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](OCc3ccccc3)C2)n1 2247824161 RLISTQUWPRKAKY-INIZCTEOSA-N 412.299 1.546 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)[nH]n2)OC1(C)C 2248556255 WDKDVDVRUDUHTN-OAHLLOKOSA-N 415.255 1.109 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2267470152 GIXOZCZJTMFHLI-JNDILOIQSA-N 407.388 1.234 30 10 HDEE CO[C@H]1C[C@H](O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281948304 UEQLWRVMKPMFSY-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CCO[C@@H]1C[C@H](N)[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281968804 GFKZAHIRXXEKHJ-LOWVWBTDSA-N 400.737 1.935 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281975043 HOWLMQYYTFQZBC-NSHDSACASA-N 401.359 1.909 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)o1 2282304075 FUIVHWNGMLXHSC-UHFFFAOYSA-N 419.721 1.871 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CCCN)C1 2282315986 VYUSBRNVGYDCJI-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CC1(C)C[C@@H](N)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331007 IMHYJMXHYACHLX-CYBMUJFWSA-N 400.375 1.795 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333490 PIHRJQUQQCUBHK-SWLSCSKDSA-N 401.359 1.377 30 10 HDEE C[C@H]1C[C@@H](O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282339998 ZWJDXLDSBPPEDK-STQMWFEESA-N 401.359 1.829 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341521 TYXUSVXPEPLRML-UOXLDJKESA-N 402.347 1.120 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282500129 IEHOWVXEHUSSRJ-YMXBGEKHSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H](N)CC2)OC1(C)C 2282505580 GGLXQKTUYJDDOD-LBPRGKRZSA-N 401.363 1.085 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282514352 BPXMEKVDRYAVLV-GFCCVEGCSA-N 417.383 1.607 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCS(=O)(=O)C(F)F)ns2)OC1(C)C 2282610070 QCWMFKMNPBKLGM-UHFFFAOYSA-N 410.273 1.200 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1COCCO1 2282851943 JMOIFCRAKZLTEL-AAEUAGOBSA-N 403.331 1.130 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1C 2282855944 LHWCTFFIAPTRPW-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284396977 HCKDIVJOZJRRFJ-MWLCHTKSSA-N 407.294 1.445 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300229588 YQWDSAYGWBDSEH-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC(C)(C#C[C@H](N)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317408405 OHJJAEYFKNNTNV-FXAWDEMLSA-N 408.520 1.304 30 10 HDEE COC(=O)NS(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361590920 OAEGZUPPPKXZFG-UHFFFAOYSA-N 402.303 1.006 30 10 HDEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2362573527 NAKCFHZDCQIZFS-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC1(OC)CCC1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2362710995 OLEPPQDAGDEGJE-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365204201 MHCBPEQJBPOHAP-LIRRHRJNSA-N 402.557 1.681 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367782994 CTNIHGNHFHFLTN-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792625 QECMRGWJFWAJFI-BZUAXINKSA-N 400.541 1.604 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@H]1C[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367796703 QVKQJYITHIIDCK-BZUAXINKSA-N 400.541 1.604 30 10 HDEE CCOc1ccc(CN2C[C@@H](C(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1OCC 42231 RHNFODVAEOZMGA-DLBZAZTESA-N 401.463 1.583 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccc(F)cc2)CC1 30980637 YXWYGGNNWYIRDL-UHFFFAOYSA-N 402.451 1.913 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)N3CCCCC3)o2)c1=O 101350903 WVIALMMLXPLNID-UHFFFAOYSA-N 405.480 1.109 30 10 HDEE C#CCN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@H]1CCS(=O)(=O)C1 111046332 HLIPYQJVXIIQFJ-LBPRGKRZSA-N 414.409 1.643 30 10 HDEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 195723715 BUDDOSXDNIVZAF-UHFFFAOYSA-N 418.448 1.732 30 10 HDEE COc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)C2=O)cc1 238830499 FUKPUDQPQCXENU-IBGZPJMESA-N 421.457 1.884 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 410142974 OGLBIGYHOLREGG-SWLSCSKDSA-N 400.501 1.865 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ncnc3sc(C)cc23)CC1 410381653 MMNPZHKFULKYIF-CYBMUJFWSA-N 408.553 1.848 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC(=O)NC1=O 435989178 BUPDHJRTOFBSNA-LLVKDONJSA-N 410.224 1.020 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 461188259 BTZYHYYWPQRDTN-SFHVURJKSA-N 407.426 1.878 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 462082403 CPSDAZLSRVEXGZ-OAHLLOKOSA-N 403.468 1.075 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)nc1 463951075 ZYYDLJSAEATBSS-PAADORIXSA-N 424.460 2.371 30 10 HDEE COC(=O)CC1(NC(=O)c2cc(-c3cccc(C#N)c3)no2)CCS(=O)(=O)CC1 469261846 ZLVZGEKITNXVSO-UHFFFAOYSA-N 417.443 1.454 30 10 HDEE Cc1cncn1C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 476826021 YTRNOJRZLQBFPM-UHFFFAOYSA-N 401.492 1.861 30 10 HDEE C=CCCO[C@@H](C)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 505840014 OBEXYXZGEUJPPE-ROUUACIJSA-N 403.527 1.349 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 508947328 WWHMOBCZBULUKL-CQSZACIVSA-N 418.523 1.048 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 515357585 ZCWVNCBCDYTXAC-KRWDZBQOSA-N 420.466 1.399 30 10 HDEE C[C@H](C#N)CNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 518421178 OOYLVFUMSPXZQM-BXUZGUMPSA-N 400.298 1.878 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCOCC2)c1 532265565 IPIUZMPBQZJPJD-HNNXBMFYSA-N 414.487 1.700 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cc(C#N)ccn2)CC1 533244102 AGRUYTZAPHLLOR-KNQAVFIVSA-N 418.545 1.854 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)ccc1OCCO 543954162 ZXLIKGRGRANSGC-CQSZACIVSA-N 403.460 1.543 30 10 HDEE Cc1nc(C2CC2)oc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 546773722 GFTITTFGGKEPGA-UHFFFAOYSA-N 400.460 1.879 30 10 HDEE C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1C 553277295 HHUUCPMUKKYWDQ-QMMLZNLJSA-N 401.530 1.949 30 10 HDEE Cc1cc(C#N)nc(NC[C@H](O)COc2ccc(I)cc2)n1 572746596 FKDOIWQEZRHAQZ-ZDUSSCGKSA-N 410.215 2.113 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(O)n1 583513077 NOBCUUYHLMJNHY-SFHVURJKSA-N 421.457 1.204 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N=c4cc[nH]cc4)nn3)CC2)cc1 585486188 LZPFGSSKVFHSGI-UHFFFAOYSA-N 421.486 1.420 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)s1 589281410 YYWZSFBJVQOWNR-UHFFFAOYSA-N 407.477 1.097 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC1 609040668 DJIPARQAFZMQNN-JXFKEZNVSA-N 421.567 1.160 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609254142 BXLPMMQDRHADKX-OAHLLOKOSA-N 401.486 1.972 30 10 HDEE C[C@@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609575869 KJVBWDOZNDTECA-AEFFLSMTSA-N 405.520 1.986 30 10 HDEE CCN1CC[C@@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1=O 619829165 CCIDMSQGDZLSKE-GOSISDBHSA-N 409.494 1.487 30 10 HDEE C[C@H](c1cccs1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O 727417452 KXPFDEBNEXTRIE-GFCCVEGCSA-N 411.508 1.955 30 10 HDEE COc1ccc(C2(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCOCC2)cc1 733890109 HZLXSJVZGCGCFJ-MRCUWXFGSA-N 413.474 1.776 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)c(CN(C)C)c2)c1 734442526 ADZLZQWXUIBLCJ-UHFFFAOYSA-N 403.479 1.729 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccn3)n(CCC)c2=O)cn1 735068916 JJUNGJRSUDDXFZ-UHFFFAOYSA-N 422.514 1.463 30 10 HDEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 735074052 WREZQFFNEFXPSZ-HNNXBMFYSA-N 411.528 1.987 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 741970960 BZDNAOYYYRQFNR-NRFANRHFSA-N 410.405 1.660 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 744724331 KKUTUQULMOCWAS-WDUKFBBWSA-N 401.463 1.983 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 751507270 NSWDASACWUGPMT-WMZOPIPTSA-N 420.487 1.709 30 10 HDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCc3ccc(OC)c(C#N)c3)ccc2O1 752007543 KVWBOCCFCIUVKI-IBGZPJMESA-N 416.455 1.912 30 10 HDEE C#CCN(CC(=O)N(CCCC)c1c(O)nc(=O)n(CCC)c1N)C1CCCC1 756910833 CZXOQUSVPBHCHY-UHFFFAOYSA-N 403.527 1.952 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[C@H](O)COC(C)C 762855783 XTPUJHNCESGGSH-QVKFZJNVSA-N 402.447 1.481 30 10 HDEE CCOc1cc(NC2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)ncn1 767221920 VHAPOHCSCAGSRX-UHFFFAOYSA-N 402.480 1.475 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC(C)C)C1=O 771580629 ZFVWKVMVYYKDPQ-ZUOKHONESA-N 400.435 1.004 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 772329919 LVQMHUDBFJHPCF-KRWDZBQOSA-N 424.526 1.648 30 10 HDEE N#CC1(NC(=O)CS[C@H]2CCS(=O)(=O)C2)CCN(Cc2ccccc2)CC1 778447449 ULGQTZPCAVRQIJ-KRWDZBQOSA-N 407.561 1.581 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 780370151 MKXMCUCIGNHRLK-HUUCEWRRSA-N 414.487 1.994 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 780902204 AZRLZIRAQXFGGB-FQEVSTJZSA-N 413.861 1.995 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)n1 788370373 SNUIDDAZUCVKMU-UHFFFAOYSA-N 420.473 1.258 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)n1 788695119 DTRIOLNVMYKEKZ-UHFFFAOYSA-N 416.503 1.583 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)n1 788813577 NRASGQMNPKZLAC-UHFFFAOYSA-N 420.491 1.183 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)n1 789103728 BRZVZDBVIZILHD-PMACEKPBSA-N 403.527 1.318 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792762820 JXKNWZCIGHDOAF-INIZCTEOSA-N 422.938 1.981 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NCCNc2ccc(C#N)cn2)[C@@H]1c1cncn1C 793008281 LOGKPYMABJOEBO-OXQOHEQNSA-N 409.494 1.605 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC[C@@H]2C)cn1 795185952 ZUQWDLJLYQBKJS-CWRNSKLLSA-N 406.556 1.701 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@@](C)(O)CO)cc1 797617359 UWZTXWRRFDFDEN-WKSXIXGESA-N 412.512 1.144 30 10 HDEE C[C@H](C(=O)OCc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1)n1cnc(C#N)n1 800981149 CCSANEPGEIGFDG-SECBINFHSA-N 402.354 1.876 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 814286246 DECDXEVEOKWFCT-UGSOOPFHSA-N 404.444 1.338 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@H](C)C(N)=O)C(=O)[C@]12C 1075999312 RQQZUURROCFJTM-IMNSGLINSA-N 414.414 1.032 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)c1 1136327498 IXBAQIAYQPXNIB-UHFFFAOYSA-N 401.444 1.031 30 10 HDEE CN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)NC1=O 1141877972 INUJBHBUAVSPFK-UFPHYQGISA-N 407.496 1.242 30 10 HDEE N#Cc1cn(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)c(=O)nc1O 1143190981 KQTFLLXJWYOZIS-UHFFFAOYSA-N 419.388 1.207 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 1144512398 USPJQZZXMNJCLC-QGZVFWFLSA-N 424.542 1.433 30 10 HDEE CN1CCC(O)(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1147991761 QYHWLKZOPGYXED-NGEICVOHSA-N 406.527 1.346 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)n[nH]2)c1C 1148028711 HRVAKCCDQGBJPN-HNNXBMFYSA-N 422.493 1.735 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CO)c2cccc(Cl)c2Cl)C1=O 1148056128 LVXROIKTWFFKQN-NSHDSACASA-N 400.218 1.120 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1165488824 DZBRGLLESDODGR-LJQANCHMSA-N 415.471 1.231 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1175428728 SCWNTUQSKTUYEI-VHDGCEQUSA-N 417.466 1.115 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2nn(CCS(=O)(=O)CC)cc2C)cc1 1217130066 XRFQBUTUNVJVNP-UHFFFAOYSA-N 404.492 1.960 30 10 HDEE C#Cc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1222260335 IJPYIGAAWZMMMN-UHFFFAOYSA-N 413.499 1.688 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)NCCO)CC1)c1ccc(Br)cc1 1230499574 ZDUUYCRSVHTSEI-INIZCTEOSA-N 408.296 1.654 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1286277274 BXQAKPLGXLKPAH-RCCFBDPRSA-N 415.542 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1286295577 JJWKEKOZZJTOHI-WMZOPIPTSA-N 417.535 1.426 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1286314767 RGCHQRHZORNEAE-MSOLQXFVSA-N 422.599 1.756 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1286335294 IXOUNELASUKKKH-KRWDZBQOSA-N 402.543 1.818 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](CC(C)C)NC(=O)OCC 1286379053 DIQANQVDYAXJFZ-MRXNPFEDSA-N 404.515 1.631 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCOCC1 1286424607 ZKLIIEOREDKNKS-UHFFFAOYSA-N 409.465 1.796 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCCO1 1286462535 LKRWVAZLDHZSHB-MRXNPFEDSA-N 422.489 1.457 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccccc2)CC1 1286469450 GAKXASHQPJUJFD-UHFFFAOYSA-N 410.522 1.641 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCN1CCOCC1 1286527620 FWRDLOVUNONFDB-JOCHJYFZSA-N 411.554 1.854 30 10 HDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCCNS(C)(=O)=O)CC1 1286649311 UYIXODRSYGQGLC-UHFFFAOYSA-N 419.551 1.995 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1286774229 DKDVIBWSUBSJCP-KRWDZBQOSA-N 414.485 1.885 30 10 HDEE CC(C)(O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1287094182 JLDZCLLRVPDIOP-KRWDZBQOSA-N 405.462 1.740 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCCCS(C)(=O)=O 1288079100 HRJRWMZLGIAYEY-UHFFFAOYSA-N 410.544 1.371 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1288080506 SSRGMRSLNMVQBB-DYESRHJHSA-N 416.526 1.884 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 1293712505 FMNUPKDPQUPVCK-UHFFFAOYSA-N 415.515 1.848 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1294841619 FFAYCHTYZGRKFS-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1297551063 QFZFRCBTWYKEDE-CQSZACIVSA-N 406.512 1.433 30 10 HDEE CN(C)c1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)cn1 1298055386 BRMKQAUQMJOISC-UHFFFAOYSA-N 416.489 1.652 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1300412224 ZLPAPVQPLUNOGK-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE COC(=O)[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCC(C)(C)C1 1300996446 MPHNNDJVMBXSIA-LJQANCHMSA-N 407.492 1.465 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1301458493 BGUXEJZHUXWKPL-AWEZNQCLSA-N 403.512 1.237 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301496431 AKNJEJJYJAPUHT-CYBMUJFWSA-N 406.450 1.492 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC(F)F)C1 1301567311 UZIFGRJSNOOGGM-OAHLLOKOSA-N 423.468 1.302 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1301610228 TYCSBRIXZQOWLG-INIZCTEOSA-N 416.555 1.657 30 10 HDEE Cc1ncc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1Br 1305916415 DHKHCTIUNAQWFF-UHFFFAOYSA-N 409.265 1.830 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCN2CCC(N(C)C)CC2)c(C#N)cn1CC 1310892713 GKTLYQIJQZTAGK-UHFFFAOYSA-N 404.515 1.704 30 10 HDEE COCc1nocc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1315875393 VYNCEYYJABVKLP-QWHCGFSZSA-N 408.484 1.101 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCSCC1 1316271527 GIFFAVMGHAMLMC-IKGGRYGDSA-N 408.572 1.789 30 10 HDEE CN(C)C(=O)CNC(=S)/C(=C(/O)c1ccc(C#N)cc1)n1ccc(=[N+](C)C)cc1 1337941961 KIYRTPNBRNAFKC-UHFFFAOYSA-O 410.523 1.281 30 10 HDEE C=CCN(C(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1)[C@@H]1CCS(=O)(=O)C1 1352903422 AENQWJHOMLXSMW-CYBMUJFWSA-N 408.411 1.735 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1358977386 LEUUOQJSEFXRDO-IEBWSBKVSA-N 420.492 1.968 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1358981594 QCMJVLBWVBJULG-BGYRXZFFSA-N 410.566 1.841 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1359069692 URRYMTKFRVMMIB-ORAYPTAESA-N 401.421 1.997 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1359073603 XSHMZUJRNYGYJH-OAQYLSRUSA-N 402.462 1.898 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCOCCS(C)(=O)=O)CC1 1359167070 SBMLXTCPIZSONR-UHFFFAOYSA-N 405.524 1.482 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(COC)CC1 1359291137 GCAQPZQYAFNNIE-UHFFFAOYSA-N 404.515 1.069 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359292467 PVCHKWCPRWGGOZ-JKSUJKDBSA-N 424.571 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@](C)(OC)C1 1359334180 WBMFDQLNOZKKIS-FQEVSTJZSA-N 419.551 1.870 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@@H]1C 1359472361 KOJXLWARUSDMGY-VPZZIHKRSA-N 402.455 1.142 30 10 HDEE C[C@@]1(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCS(=O)(=O)N1 1360377802 WWKBTYUDYSPCFA-IBGZPJMESA-N 404.492 1.207 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(C)(C)C 1439386790 DKODNYCFWPDGHK-UHFFFAOYSA-N 405.520 1.413 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1443052303 KXFDNHATSLLYTQ-NSHDSACASA-N 401.252 1.629 30 10 HDEE CCOC(=O)[C@H](C)[C@@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1446765097 SPTINXOOTZTKNV-HUUCEWRRSA-N 423.535 1.989 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@H]4CCC[C@@H]43)n[nH]2)c1C 1449588896 JPIICNUITYVOMV-IRXDYDNUSA-N 403.508 1.868 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1450322352 DFHWVUJFVUFKQR-RHSMWYFYSA-N 419.503 1.213 30 10 HDEE CC1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](CO)O1 1451816023 WAUJTTVCIJVYEE-HNNXBMFYSA-N 423.535 1.284 30 10 HDEE CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455822151 BSIOZXOKRHMMAK-ZQIUZPCESA-N 409.508 1.709 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462926807 ODAJPZZAHAUTFA-LBPRGKRZSA-N 412.899 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](NC(N)=O)C1 1466582520 HEODSAKYNBNDMN-WBVHZDCISA-N 413.478 1.662 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cccc(C#N)c1Br 1467382224 DKKWBCLUYILIIO-DGCLKSJQSA-N 400.298 1.768 30 10 HDEE N#Cc1ncn(CC(=O)NCc2cc(Cl)cc(I)c2)n1 1469286650 WGKAEFMMLWGAQY-UHFFFAOYSA-N 401.595 1.724 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1469520954 XNVFSAINZSMQFL-QGZVFWFLSA-N 403.504 1.025 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1(CO)CCC1 1469749395 CSFKVIADHKUGAW-INIZCTEOSA-N 407.536 1.953 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1471084878 YIYZMQCKXHENDJ-LJQANCHMSA-N 400.460 1.856 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 1471452189 ZXAISTZVMHJHQG-UHFFFAOYSA-N 414.531 1.628 30 10 HDEE N#C[C@@]12CN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1472885549 ACXJVUWRVUHDTB-ZANVPECISA-N 412.386 1.494 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc(F)c2OC)C1 1475667955 YCZYUCROMZBIAJ-GFCCVEGCSA-N 405.289 1.973 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)c1ccc(Br)cc1 1478896652 QAIDLFWCQZNPKI-HUBLWGQQSA-N 424.295 1.879 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CCOC1 1502628412 QURIQLWSEBJENA-SQBLYHGDSA-N 419.526 1.864 30 10 HDEE COC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1504588047 GIJKAZAMPXGUBS-RBUKOAKNSA-N 423.477 1.521 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCc2nccn2C1 1504888196 KZBXYEWWIXNRLV-HOTGVXAUSA-N 412.498 1.055 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC(F)(F)CO1 1507609948 AUJKSICHTFCMIP-CYBMUJFWSA-N 414.416 1.686 30 10 HDEE C#CCN(c1nnc(C)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1507624604 CDHAGIGPBGLMMI-HNNXBMFYSA-N 404.540 1.120 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1507626099 MVVZFYAWSCHMHZ-DLBZAZTESA-N 402.524 1.296 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1507671438 KXFOKYKHOORIMK-LJQANCHMSA-N 417.579 1.375 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507755949 XGYNZLJCBBXGIY-JKSUJKDBSA-N 419.551 1.370 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ncnn1CC(F)F 1508057583 BVHYADDYZDQFMX-UHFFFAOYSA-N 406.397 1.685 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N2CCNC2=O)CC1 1508079325 QRERZVBDMXGRQL-UHFFFAOYSA-N 409.494 1.241 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1508095868 XXMRBILICPSQEP-HNNXBMFYSA-N 415.498 1.617 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1508160098 SICFZDZWUSBAOJ-ZBFHGGJFSA-N 418.567 1.643 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1F 1519332320 YQEXDPYPRIXFEC-WMLDXEAASA-N 419.457 1.927 30 10 HDEE N#CC1(CC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCOCC1 1520825449 CLOAOXXPRJJKFG-UHFFFAOYSA-N 410.518 1.820 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1530725870 VSVVCNONXINAJV-JKSUJKDBSA-N 423.491 1.540 30 10 HDEE C[C@@H](C#N)N(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CC1 1531697583 HQDFFEDQFYCXPH-KBPBESRZSA-N 406.464 1.899 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnn2cccc(Br)c12 1532124341 VFEVRNIHGMXWDF-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE CCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](C)C(=O)OC 1536305116 OMULLWSYHRMEAK-BBRMVZONSA-N 400.435 1.563 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)C3(C#N)CCSCC3)nn2)C1 1537387106 PSONNDACFREONH-UHFFFAOYSA-N 406.512 1.723 30 10 HDEE CO[C@]12CCC[C@@]1(NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCO2 1537524030 FKMBCIPQQYTNFD-HBGVWJBISA-N 412.446 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1539025856 NPFQAVUHJWNBSM-OAHLLOKOSA-N 406.490 1.193 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1539084670 BDICKADKTKSCSH-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539517694 QTQIYZGPHFYDQQ-ZWKOTPCHSA-N 405.568 1.449 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539884001 AHRBDNNUNHIKPJ-IEBWSBKVSA-N 415.586 1.658 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(N)=O)C1 1539916788 NWCVPAZYNQCQFY-CABCVRRESA-N 409.556 1.484 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1540071010 CDNLFJJNFCSKJV-CVEARBPZSA-N 404.540 1.885 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1540087066 MRAYMOYUWYBWOS-UHFFFAOYSA-N 401.492 1.928 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)c1cc[nH]n1 1540424693 GTOMQMLPSZJTJR-INIZCTEOSA-N 417.466 1.630 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)[C@@H]1CCOC1 1540863838 GXPPPWXDAKYGGJ-MRXNPFEDSA-N 407.478 1.863 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1540917212 PZIQLLVZSZZTSF-HNNXBMFYSA-N 417.601 1.622 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541800515 BDFRACURRRBTAL-HZPDHXFCSA-N 402.524 1.965 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)CC2)nc1 1543555206 RHFKIQQEAACNTE-HSZRJFAPSA-N 405.502 1.629 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nc1 1543705924 CXQRHXXTCWECTE-UHFFFAOYSA-N 417.466 1.474 30 10 HDEE N#C[C@H]1CN(C(=O)c2cnnn2-c2ccccc2Br)CCN1C1CC1 1544371163 MUKRWIYXOSANHD-ZDUSSCGKSA-N 401.268 1.842 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2C[C@H]2CC=CCO2)cc1 1555991496 VMQDVYQBXDUMLI-GOSISDBHSA-N 413.503 1.643 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)NCC(F)(F)F)C1 1556289249 SAFUICCTYIAZBJ-QWHCGFSZSA-N 405.417 1.820 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1556375407 IQRQQMAUCYMRKC-GDBMZVCRSA-N 408.451 1.974 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H]3[C@H]3CCC[C@H]3O)C2=O)cc1 1556706624 IWLQKZYCSDBCMU-NCXUSEDFSA-N 410.474 1.915 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)C1 1558691246 GDDVHWKHVNQMQL-UHFFFAOYSA-N 400.456 1.706 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCS(=O)(=O)NCC(=O)NC(C)C)c1ccccc1 1558718980 WSINYKOUQLKXPO-AREMUKBSSA-N 415.537 1.060 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)c1 1559032033 HFBRPRBMKWPEBY-QGZVFWFLSA-N 421.519 1.319 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2c(C)cc(C#N)cc2C)n1 1561531430 HPXJWBGONWVWLT-UHFFFAOYSA-N 400.504 1.983 30 10 HDEE Cn1nccc1[C@H](O)C1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 1563913711 BTVKXWNWUSKIRB-OAQYLSRUSA-N 423.521 1.811 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 1564926344 RNFLESQHXPXHJL-FUHWJXTLSA-N 424.954 1.771 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCC(=O)OC)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 1566978775 PTSSFSWCQDFKFE-HTAPYJJXSA-N 421.538 1.875 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)Cc1csc([C@@H]3CCS(=O)(=O)C3)n1)C2 1583061275 NPUQFKLLAOJCII-ZBFHGGJFSA-N 401.513 1.743 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)Cn1nc(C(F)(F)F)c3c1CCOC3)CC(=O)N2 1583197725 KEKOPHOZFSOFND-UHFFFAOYSA-N 405.336 1.832 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H]3CC[C@H]4C[C@H]3CO4)CC2)cc1 1585481723 XFZIXTUHWNQQDW-QYZOEREBSA-N 417.531 1.890 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 1585567614 GIFNDOQFSYYBLJ-CVEARBPZSA-N 413.540 1.999 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1587562313 NXAZZGURLOHTIR-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)CCOC 1587603392 LBYXTLYMRHLZLD-YCRPNKLZSA-N 400.479 1.962 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1587909314 IQXCCNUAISVNQT-CYBMUJFWSA-N 407.496 1.023 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1587998605 DXPXEWMEGPSPPP-UHFFFAOYSA-N 402.520 1.914 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1588167410 VZHIWAQWBPAKBI-GOEBONIOSA-N 402.472 1.496 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1588196154 ZLCSVOYSNSSKSB-HJWRWDBZSA-N 417.487 1.872 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc21 1588638201 PLKPXCCIWWAPSO-IEBWSBKVSA-N 422.533 1.766 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1588812184 QOEMDHHSSKYLAN-XXBNENTESA-N 409.534 1.835 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCCOC)CC1 1588835525 AHMNLFVCEKAHLJ-UHFFFAOYSA-N 419.476 1.565 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C)COC2)CC1 1588890486 AGHIXZXSKOIZGT-INIZCTEOSA-N 419.526 1.004 30 10 HDEE C=C(C)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1593684100 SLTIVQWBAMIJBB-ZYHUDNBSSA-N 401.443 1.985 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1593740505 BKQMIPBHPBQQNG-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594760137 FEDFTZPWGLYYNX-CQSZACIVSA-N 423.564 1.859 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1595291638 QBYILBKKNDUAIE-UHFFFAOYSA-N 408.528 1.285 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595730849 ZFNKPTLJYAQQCM-DLBZAZTESA-N 411.572 1.539 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)C[C@H]1COc2ccccc2O1 1595805885 XHSVLOOZAQVWFY-HNNXBMFYSA-N 406.508 1.718 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1611287811 ZQOWQLNUFAOYAC-CQSZACIVSA-N 418.523 1.459 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1617676003 LHXULKQKDVLYKI-AWEZNQCLSA-N 422.507 1.963 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCOC[C@]34CCOC4)C2)C1 1617717249 PJNJGRDGQSCNPF-WKQASXCGSA-N 405.495 1.791 30 10 HDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1618298793 WLTAQKBCJWORIJ-UHFFFAOYSA-N 424.509 1.739 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1624023293 PYDBZYTUNHPKKI-OAHLLOKOSA-N 403.298 1.219 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCCN(O)C1=O 1628547416 CAPHFVTTZQLFGL-IRXDYDNUSA-N 414.462 1.889 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1CCOCC1 1629888879 FOHYMNNZOPDVTB-KFGODFMUSA-N 420.506 1.718 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCNC2=O)cc1 1630687248 NCLUZGGLYDBUOE-ODENVGOISA-N 406.508 1.744 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2ncsc2C1 1630700893 FVBMWCPNVIPEJN-LBPRGKRZSA-N 404.517 1.636 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1630879331 BUDYAHZROJCWIC-UHFFFAOYSA-N 402.480 1.383 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)N1C(=O)NC2(CCCC2)C1=O 1631330980 PCTWWIXXMDLOGC-MAUKXSAKSA-N 409.490 1.848 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(OCCN3CCCCC3)cc2)c(=O)nc1O 1631417463 GYDODLWLUNAXLH-UHFFFAOYSA-N 411.462 1.714 30 10 HDEE C#CCN1CCN(C(=O)C2([C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1631504060 SGDPAWHFLAGUMJ-JOCHJYFZSA-N 405.539 1.696 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1635415306 BYCLLKXPBFTRFT-AWEZNQCLSA-N 415.475 1.326 30 10 HDEE CC[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1637107140 ABFHNUWUCPSRLD-MRXNPFEDSA-N 409.508 1.893 30 10 HDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N1CC(O)(CC#N)C1 1638886158 AIDKQLLZUQBMJL-NRFANRHFSA-N 401.463 1.848 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1=N 1639261765 BVMAFCCJNBHUAB-WFASDCNBSA-N 413.869 1.469 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)c1 1642158154 PLMVOKXHBGZXTE-UHFFFAOYSA-N 420.535 1.790 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)OC 1642410938 QXDBESFKQNPOOJ-INIZCTEOSA-N 412.895 1.809 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1)C(=O)OCC 1642684145 WWBQXXXTTCAFNW-SWLSCSKDSA-N 418.899 1.150 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1644382489 PJNJWBWGOWQAFZ-UHFFFAOYSA-N 417.491 1.610 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](Cc2c[nH]c3ccc(Br)cc23)NC(C)=O)C1 1648358607 ZBYYUCRYUCMVSJ-INIZCTEOSA-N 404.264 1.184 30 10 HDEE C=CCN(CCOC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1655199145 ULAPGFDWTGNYCQ-QZTJIDSGSA-N 412.508 1.487 30 10 HDEE COC(=O)C1(C2(O)CCN(C[C@H](O)COc3ccc(CC#N)cc3)CC2)CCC1 1656412028 ZJXQVPJZIPVPKO-SFHVURJKSA-N 402.491 1.663 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)nn1 1662631197 DGXXGSKTJHADTO-UHFFFAOYSA-N 413.257 1.287 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2cccc(OCCN3CCOCC3)c2)cc1 1666710665 VZAGORPEZULNQQ-UHFFFAOYSA-N 400.500 1.857 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1670252506 QFMXJLYRBQKYCN-LBPRGKRZSA-N 408.929 1.033 30 10 HDEE CNS(=O)(=O)c1ccc(NC(=O)NC2CCN(c3ccccc3C#N)CC2)nc1 1670602731 CDHYVCIMZFIEMH-UHFFFAOYSA-N 414.491 1.652 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 1673626388 UARGQTRXSKWSIU-HOTGVXAUSA-N 406.508 1.171 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nc(CN(C)C)cs1 1685340213 HYICYXGWURCNKT-CYBMUJFWSA-N 400.512 1.287 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)[C@H](C#N)C1 1686055801 OCJGUCVGEOGNEG-ZIAGYGMSSA-N 407.471 1.420 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1686920013 RABGZHZMPCUHDT-ZIAGYGMSSA-N 400.298 1.457 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689979627 FHDBIBXVQLCKNS-LUKYLMHMSA-N 410.540 1.285 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1690113898 XOFCDEMMBYOTAC-GBESFXJTSA-N 414.554 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1690137640 FVTXQYDKOMLPNJ-ROUUACIJSA-N 400.571 1.920 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(F)cc2)CC1 1690146741 VGOXEOZUWSPHDG-SFHVURJKSA-N 411.481 1.935 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690343679 AOEJYOCUJAMRQL-AWEZNQCLSA-N 403.936 1.744 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)=O)CC1 1690511230 ULANAEIABUTMKZ-UHFFFAOYSA-N 404.515 1.098 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCC(=O)NC 1694212538 CNVKBFRRHUWVSU-OAHLLOKOSA-N 411.510 1.694 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705522895 OFKWFAVQGNJMOH-UHFFFAOYSA-N 415.542 1.556 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1705566288 MXCPZJLVUCRGAM-IBGZPJMESA-N 424.530 1.662 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCCC)CC1 1705635543 BJZDEOPMBIUQHZ-UHFFFAOYSA-N 400.914 1.880 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCC(=O)N(C)C)CC1 1705649207 PBCHUMDMXGUTPO-UHFFFAOYSA-N 411.510 1.107 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1705662705 IBCDLRQEOIMVBM-UHFFFAOYSA-N 412.519 1.709 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)CCOC 1705669779 WKMVFCJANVVYLM-QHAWAJNXSA-N 406.527 1.710 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705729063 JUKJWMHFTVZXAB-IAGOWNOFSA-N 407.515 1.393 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705832311 UMCCIJONPVSAOQ-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705892573 PRFIBGIAAQAMNF-GJZGRUSLSA-N 404.515 1.936 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1705900868 SFIRLSLZJFFPMN-UHFFFAOYSA-N 423.399 1.385 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N(C)C)C1 1705919541 GNDBOYJPLLAWMV-HNNXBMFYSA-N 409.512 1.519 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1706010997 YARYGTWFQMPJLG-IEBWSBKVSA-N 410.478 1.908 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1706574431 BUZLVFSNNZUCJM-UHFFFAOYSA-N 407.522 1.873 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1708722044 ZINMJMRZVKHEJD-NRFANRHFSA-N 415.542 1.805 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCOCCS(C)(=O)=O 1722344827 SWFYZOAHOUVZTB-UHFFFAOYSA-N 416.547 1.879 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1722352323 NZWUWFXKOVECJB-QGZVFWFLSA-N 421.498 1.062 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722358495 IMUDUNKHJQZXJM-HNNXBMFYSA-N 422.580 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCCC2)CCOCC1 1722378226 BQJOORGTJATYMR-UHFFFAOYSA-N 407.522 1.396 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC(F)(F)CO1 1722403280 OFRNBUMDGWUWSG-ULQDDVLXSA-N 408.449 1.889 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(C)(C)N1CCOCC1 1722428546 HHEMWOQIKPQTHB-SFHVURJKSA-N 405.543 1.369 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2C[C@@H]2C)CC1 1722449850 QZIIVVAMKDIGNE-KXBFYZLASA-N 409.538 1.762 30 10 HDEE C#CCSCCn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722452932 UEMKGQVETVZYSB-QFBILLFUSA-N 404.584 1.332 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1)C1CC1 1722650600 GMJBTHZVUXXZJO-INIZCTEOSA-N 423.583 1.182 30 10 HDEE C=CCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722691033 OURSMGKBHPJCDW-SFTDATJTSA-N 416.526 1.990 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC(C)(C)[C@@H]1C 1722691810 AFLPEYIEOAZMGU-AWEZNQCLSA-N 406.531 1.502 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCS(C)(=O)=O)C1 1722715026 MHVDCWGQCBLWGB-MRXNPFEDSA-N 421.479 1.679 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722730387 QIUSUGPUKZWABA-FQEVSTJZSA-N 421.567 1.328 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723077849 PKKXCOMGURYXDQ-QGZVFWFLSA-N 423.525 1.074 30 10 HDEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1729575440 HGWBIXUOGWXXDZ-OAQYLSRUSA-N 420.477 1.212 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCC(F)(F)C1 1731217041 CKSOLLPKOVVVQS-ICFOKQHNSA-N 415.404 1.712 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1740550173 HUOSBGFZAKAWBU-QGZVFWFLSA-N 424.553 1.825 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740565238 OLWFUILAAOWEJN-ZWKOTPCHSA-N 402.543 1.377 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740587496 MCSQBPYTLUPHLS-UHFFFAOYSA-N 409.538 1.709 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1740672052 VQFGIZYYHSCRBF-SFHVURJKSA-N 416.503 1.851 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cn[nH]c2)CC1 1740705677 KQZZQELGTLEFTJ-GOSISDBHSA-N 411.510 1.104 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1740719963 NRBOLTIVUARVSX-IAGOWNOFSA-N 419.551 1.151 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1740774318 QLCIJBPFTMZSTD-LSDHHAIUSA-N 417.601 1.765 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCO[C@@H]2C)C1 1740983480 JRROCVHJJYWIHJ-DBXWQHBBSA-N 416.526 1.461 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1748751086 BPJLPZANEWODNA-VVLHAWIVSA-N 407.540 1.259 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1748804912 FOAZBHBXDBJGOW-AUUYWEPGSA-N 402.405 1.867 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2nnn(C)n2)CC1 1748979717 JRSIKFBEQUWQLA-UHFFFAOYSA-N 419.537 1.570 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749669787 KNJFKWLCCDYXED-UHFFFAOYSA-N 422.533 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1749709961 UUZPONQHJBGXRX-JKSUJKDBSA-N 415.498 1.107 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](CC)C1 1749730857 SVUSWVUNUMWEIH-CQSZACIVSA-N 421.523 1.843 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1749956562 ZLVAIZHPSBRMDA-MGPUTAFESA-N 422.505 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1760095970 CWXPGOAGHXMGOP-MRXNPFEDSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1760162641 CKRBXVLAJFODKE-LBPRGKRZSA-N 413.906 1.993 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760170345 YSJWDLVCIWZHKA-ROUUACIJSA-N 414.535 1.614 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1760170964 TXIURBGOMQWQFP-UHFFFAOYSA-N 407.478 1.269 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1 1760211021 ZFCSDGHJNQHASE-SFHVURJKSA-N 411.481 1.790 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nnc2n1CCC2 1760251039 QOMGXHJSOFYOMM-UHFFFAOYSA-N 412.523 1.306 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CC=CCO2)CC1 1760256438 GYRIGFIMIQJXLZ-DENIHFKCSA-N 415.538 1.419 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@H](C)C1 1760500629 QRGMUSWYAHLDFI-SFHVURJKSA-N 404.559 1.885 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1760515466 ORRLWBWMYKMJML-UHFFFAOYSA-N 422.449 1.335 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)C1 1760543881 UCWNLZGAVSCELP-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 1760571767 QMFIRIYHUXDVTI-ZWOKBUDYSA-N 424.567 1.917 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1761281756 WGMMAGOJOGEOQA-UTKZUKDTSA-N 416.526 1.727 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnc2C)CCOC1 1765878861 AIMGYIPHJFVKGD-PMACEKPBSA-N 417.489 1.967 30 10 HDEE CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766586007 WEPLIOFSPHIXDG-MRXNPFEDSA-N 419.493 1.753 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@@](C)=O)CCC1 1769996227 VWPUIPVBSQJTBU-ZYQGEZJOSA-N 413.519 1.745 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C2CC2)C1 1771364201 CGHFSFXGTGHDEF-OAHLLOKOSA-N 400.508 1.917 30 10 HDEE CC1(C)[C@@H](C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)CC[C@@]1(C)C(N)=O 1852748552 GGXFDFWRDSHKCZ-VGSWGCGISA-N 413.522 1.546 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCCc4nc(OC)ccc43)C2=O)CC1=O 1854299679 SORGDAHXDIAQBT-YJBOKZPZSA-N 412.490 1.395 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2)C(=O)C12CCCC2 1854410254 KDAYIGLOHPSTRL-UHFFFAOYSA-N 407.467 1.595 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN(C[C@@H]4COCCO4)CC3)CC2=O)cc1 1854442595 UQQVMRSYXRTIPW-LEWJYISDSA-N 411.502 1.603 30 10 HDEE C[C@@H]1C(=O)N(C(=O)COc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1854783796 MLVBQOUJOTYRNO-SNVBAGLBSA-N 420.274 1.285 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)n2nc(-c3ccc(OCC)cc3)ccc2=O)C(=O)C1 1855296038 OTGYZVKWEIYHDY-INIZCTEOSA-N 410.474 1.727 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H](C)CN(Cc3nnco3)c3ccccc32)CC1=O 1855370268 PKPSSFXGEAEEAY-GJZGRUSLSA-N 409.446 1.620 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3C[C@@H](CN(C)CCC#N)CC3=O)CC2=O)cc1 1855704922 MGRLBTBLOJSRFH-IAGOWNOFSA-N 412.490 1.659 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855725403 YQTPUURWVNEQCP-GJZGRUSLSA-N 408.499 1.579 30 10 HDEE C[C@@H]1CN(CCn2ccnn2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856488259 DOCBPBNGWMEHTR-OAHLLOKOSA-N 401.430 1.874 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccc(F)c1 1856969545 HJEFLNPFQWEVMQ-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccn3ccnc23)C1)[C@@H]1CCN(C)C1=O 1857062944 SUHMBVIBUYJGJW-FUHWJXTLSA-N 409.490 1.432 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3c(F)cccc3F)C2=O)CC1 1857066155 HMENLKIFLAEIDK-QGZVFWFLSA-N 411.412 1.795 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857098615 MJVPADNXENAMNU-NSHDSACASA-N 420.397 1.293 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C1)CC2 1857213553 OWXOZPYMYPPRKD-GOEBONIOSA-N 412.469 1.053 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O 1857371669 REMYGQKQDYWLEP-UHFFFAOYSA-N 400.442 1.838 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206059 CPOKCFRYNRWTCT-NEWSRXKRSA-N 405.926 1.816 30 10 HDEE CCN1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868783261 PXCMJLMFUNXWMP-WMZOPIPTSA-N 417.579 1.694 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)c1nc(S(C)(=O)=O)ncc1Br 1914555022 YIEJTRQSPQVQPM-UHFFFAOYSA-N 408.277 1.918 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984818751 CCOGWOIOZBSJPD-CVEARBPZSA-N 418.446 1.606 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010395335 IJKPMTLVXOOURV-VIKVFOODSA-N 423.319 1.178 30 10 HDEE C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174785891 DDYROHPJSYDELC-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](CCNS(=O)(=O)N2CC[C@@H](C#N)C2)O1 2181216251 QJAPVZYSSYLSSU-ILXRZTDVSA-N 402.517 1.081 30 10 HDEE N#C[C@@H]1CN(c2snc(N)c2S(=O)(=O)C2CC2)CCN1Cc1ccccc1 2186561774 JMKAGFPAXMXKQE-CQSZACIVSA-N 403.533 1.876 30 10 HDEE CCOC(=O)CS(=O)(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186629996 TXCHOOZKXYLEFC-LLVKDONJSA-N 403.331 1.591 30 10 HDEE CCS(=O)(=O)CC(=O)N(C)Cc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237636180 YKLAVOWMXDXEJE-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247822239 CYHGRIYYGMHTSB-KGLIPLIRSA-N 420.319 1.505 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@@H]2OCc2ccccc2)n1 2247921999 ZIKLJJJNJHBQDA-HOTGVXAUSA-N 412.299 1.592 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3nnns3)cc2Cl)OC1(C)C 2255944338 ZITRRKINIILPTK-UHFFFAOYSA-N 408.723 1.748 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2267704390 MVWYGONKJGELNH-XMMPIXPASA-N 407.388 1.403 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270522406 UBHGEZZUNJZGRK-ZWKOTPCHSA-N 422.503 1.423 30 10 HDEE C[C@H](C[S@](C)=O)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281998150 LCKHLGHGCJXDPM-QYOLQKOISA-N 400.737 1.873 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282316088 XNVIOMHVMLLIAY-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE C[C@@H]1CNC[C@@H](C)C1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345970 SGURBNOAQUGWTB-VXGBXAGGSA-N 400.375 1.570 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@@H]3CN)ccc2Cl)OC1(C)C 2282495907 SVDGOEVUELPPPB-GFCCVEGCSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCC[C@H]3C3OCCO3)c2)OC1(C)C 2282506895 YZNNRJKZNWLZSY-KRWDZBQOSA-N 423.340 1.653 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282510650 BPTGVOSKTLUMGS-RUZDIDTESA-N 401.359 1.126 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(N)CC3)c(Cl)c2)OC1(C)C 2282826105 OOTVIXOIHTVQEU-UHFFFAOYSA-N 400.737 1.751 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282837534 FNPYCRIWLFMISH-DGCLKSJQSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@](C)(=O)CCC(=O)O)OC1(C)C 2284401701 JQBRUHAQOIJZTE-RUZDIDTESA-N 423.343 1.309 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(C(=O)O)CCC3)cc2Cl)OC1(C)C 2284405038 FPVULGMHVJTHBI-UHFFFAOYSA-N 421.733 1.986 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](C(=O)O)[C@@H](F)C2)OC1(C)C 2284410702 DILQIYPUJZRYSC-KOLCDFICSA-N 405.278 1.091 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)CC1=O 2322122954 NRHACDANPUUOML-SNVBAGLBSA-N 420.451 1.883 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367791122 XRKCYCGTMMDGOF-HRCADAONSA-N 400.541 1.556 30 10 HDEE C[C@H](C[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)NC(=O)OC(C)(C)C 2367796014 HDRNJEVUOPQRHC-KGLIPLIRSA-N 403.497 1.730 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](COC)NC(=O)OC(C)(C)C 2367797297 UHXTZTQHJGAMSK-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CC)CNC(=O)OC(C)(C)C 2367821169 AUZRRWWXKGYSIA-HNAYVOBHSA-N 402.557 1.601 30 10 HDEE CCn1ncc(I)c1NS(=O)(=O)c1cncc(C#N)c1 2382017504 MFYJFPWMLFJDNZ-UHFFFAOYSA-N 403.205 1.575 30 10 HDEE COc1cc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1OC 6949639 CLODXQXLTLOJJO-YBFXNURJSA-N 407.448 1.983 30 10 HDEE CCCn1c(N/N=C/c2ccc(Br)cc2O)nc2c1c(=O)[nH]c(=O)n2C 8892074 AWGLJSFCIUSYKB-QGMBQPNBSA-N 421.255 1.747 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccccn1 21324841 NSVUBRSTTQOCFF-OEAKJJBVSA-N 410.507 1.940 30 10 HDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2cccs2)cc1 33909214 SLSWTOBWTIMVKK-YVMONPNESA-N 409.518 1.237 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1 71530445 FMWCHFQLKXGVFQ-UHFFFAOYSA-N 410.477 1.125 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 169680635 BWKXYBGTOJLOAI-NHCUHLMSSA-N 406.523 1.348 30 10 HDEE O=c1[nH]c2ccc(S(=O)(=O)N/N=C/c3cc(Br)ccc3O)cc2o1 169907667 CMIGKOGKZIRNBI-FRKPEAEDSA-N 412.221 1.902 30 10 HDEE COc1ccccc1N1CCN(CC(=O)N2CC[C@H](Oc3nccnc3C#N)C2)C1=O 219963569 NIODXMCLEUIZJO-HNNXBMFYSA-N 422.445 1.279 30 10 HDEE CCOC(=O)NS(=O)(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 404952748 JGBUPUOCMHKSLC-UHFFFAOYSA-N 404.319 1.470 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1=O 410106405 QGAZQGJWXQCIPQ-GJZGRUSLSA-N 411.549 1.537 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)c1 434041587 LKXVEVQGFXOASZ-ZFWWWQNUSA-N 406.426 1.926 30 10 HDEE N#Cc1cc(F)c(C=c2sc(=CC(=O)C3CC3)n(Cc3ncccn3)c2=O)c(F)c1 447415803 BIKJFICZQYSMFT-UHFFFAOYSA-N 424.432 1.486 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccnc(O)c3Br)C2=O)cc1 469860072 DYEQJEWICHZQDH-CQSZACIVSA-N 415.247 1.952 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 479880832 BDTSWYBSXLCRNW-OAHLLOKOSA-N 418.519 1.086 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](C(=O)OC)C2)c(C#N)cn1CCOC 481454311 SFVGVOKTIFOFII-ZDUSSCGKSA-N 406.439 1.600 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1cc(Cl)ccc1N1CCOCC1 499702807 FOCHGHZOUBNOHE-CQSZACIVSA-N 400.932 1.993 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)C[C@H]3CCCN3CC)cc2C1=O 505841070 VQUGZEHDRHOPGE-GOSISDBHSA-N 412.534 1.957 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](CC)O[C@@]2(CCOC2)C1 508803629 YBFRBHPTYZZDKT-RXVVDRJESA-N 422.493 1.881 30 10 HDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)CC3(C#N)CCC3)C2=O)c(OC)c1 519672486 SIUCTSAUNUNTCP-INIZCTEOSA-N 407.492 1.418 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2OCc2cscn2)C1=O 522257691 YQJROLYYSITPHO-UHFFFAOYSA-N 400.416 1.637 30 10 HDEE C[C@H](C#N)CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CC1 533141335 HSIQVMMXRMTKEX-CQSZACIVSA-N 407.492 1.667 30 10 HDEE COC(=O)C[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 540702296 RIMOOHFMBYWZKT-GWCFXTLKSA-N 406.240 1.894 30 10 HDEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4cccc([N+](=O)[O-])c4)C3=O)CC2)n1 545497871 OGYRRARVLQDBKX-KRWDZBQOSA-N 406.402 1.316 30 10 HDEE CN(C)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCO2)CC1 549886975 ABPWEYWUNJSHSX-GOSISDBHSA-N 409.494 1.799 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H]3CCOC3)CC2)n1 550072892 RCXZUOYRSRMWAE-IAGOWNOFSA-N 409.494 1.412 30 10 HDEE C[C@H](C(=O)N(CCn1ccnc1)Cc1ccc(Br)o1)n1cnc(C#N)n1 552801848 SBLIERRJKUQIGK-GFCCVEGCSA-N 418.255 1.992 30 10 HDEE C=CCN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 565791379 AVUAOEIGWDJTNP-UHFFFAOYSA-N 420.535 1.563 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC)CC1 567524725 DHGNJZOCJYBAPO-UHFFFAOYSA-N 405.506 1.937 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 567952522 LVYUHUZJYFWKFW-UHFFFAOYSA-N 424.548 1.050 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 573044178 ODMPQMIEERONKB-OAHLLOKOSA-N 401.442 1.654 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 612193617 WIEVIEOBPHFOBS-SFHVURJKSA-N 417.490 1.870 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)NCc2ccc(C#N)c(Cl)c2)C1=O 619760660 YJBXUBOHIASDRJ-MRXNPFEDSA-N 400.870 1.936 30 10 HDEE C=C(Br)CS(=O)(=O)NCCN1CCN(Cc2ccccc2)CC1 704558747 YBNNTUAKVAIADI-UHFFFAOYSA-N 402.358 1.632 30 10 HDEE CCN1CC[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 730935320 COJDZILMIPLAJT-INIZCTEOSA-N 406.552 1.744 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 731920120 IFZPLHFTPZDILA-UHFFFAOYSA-N 418.422 1.015 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 735765929 WOHRNCPWCYXEBX-SFHVURJKSA-N 410.459 1.283 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 742144044 RBKADGVBFUUZCX-UHFFFAOYSA-N 423.494 1.309 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O 745115791 YEUNMOWGSCFJIV-UHFFFAOYSA-N 415.427 1.954 30 10 HDEE N#CC1CCC(COC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 755973419 BVLCEORYMAKCHO-UHFFFAOYSA-N 405.476 1.294 30 10 HDEE C#CCN(C(=O)c1c[nH]c2ccc(Br)cc2c1=O)[C@H]1CCS(=O)(=O)C1 767689210 GEHWHWLCHWOHIQ-LBPRGKRZSA-N 423.288 1.553 30 10 HDEE C#CCN(Cc1cc(Br)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 768931750 KHPXZWGKHKKJKF-CYBMUJFWSA-N 400.294 1.843 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(Oc2ccc(F)cc2)CC1)c1cc[nH]n1 772284015 PBQQCXNLLZTWTC-UHFFFAOYSA-N 418.425 1.903 30 10 HDEE COc1cc(Br)c(F)cc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 779893968 YQVODSULLHVBFS-NSHDSACASA-N 418.288 1.958 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 779935374 HWOZQMDAJHSWKZ-QGZVFWFLSA-N 423.482 1.629 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 781047549 CJDLHGVABWHZEC-ZBBYCGENSA-N 407.430 1.086 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)c2ccccc2)n1 790108787 GLQIISFPSGOATI-LJQANCHMSA-N 412.515 1.707 30 10 HDEE C#CCN(C(=O)c1c(C)nc2ccc(Br)cn12)[C@@H]1CCS(=O)(=O)C1 793155406 XENNJGOEPGIWHO-CYBMUJFWSA-N 410.293 1.668 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 794733955 HZGJPFQNUOPRBJ-MRXNPFEDSA-N 416.478 1.959 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](CN(C)S(C)(=O)=O)C1 795656048 TXFSQHNKKNYAGZ-KRWDZBQOSA-N 402.524 1.686 30 10 HDEE COc1ccc(C(N)=O)cc1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 802890172 MRJKPBAEKDMLLZ-UHFFFAOYSA-N 417.418 1.342 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 805784549 OPGSUQGVMVZGMR-IEBWSBKVSA-N 403.490 1.979 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(=O)OC)C1 918336588 ZRTXWDQRNXOYBB-HIFRSBDPSA-N 407.492 1.305 30 10 HDEE CCOc1cc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)ccc1O 1084498491 CQOMXERQRKEFES-UHFFFAOYSA-N 420.480 1.937 30 10 HDEE CCOC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)on1 1136281420 DRBKVDFBJVZWEK-PGMHBOJBSA-N 420.447 1.916 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1137919808 WHPOCUQZVAPOLP-GJZGRUSLSA-N 416.565 1.588 30 10 HDEE Cc1c(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cccc1S(=O)(=O)N(C)C 1142127121 NKAFUXFOTWRMPD-ZCXUNETKSA-N 406.464 1.100 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)c1 1143183723 IIZJCDJMQLESQV-MOPGFXCFSA-N 420.473 1.165 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](n2nncc2I)C1 1153136259 RHUSSFFCXSZZQC-LLVKDONJSA-N 410.219 1.570 30 10 HDEE N#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C(F)(F)F 1156052786 FFNQKYCEEVEWSJ-TZMCWYRMSA-N 405.398 1.718 30 10 HDEE Cc1ccc(C(=O)NCc2nnc3ccc(Cl)cn23)cc1S(=O)(=O)NCC#N 1167484970 SJXNOPVTFUYDNT-UHFFFAOYSA-N 418.866 1.423 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cn2ccnc2)c2ccccc2)cc1 1175870443 FRLGGYSVCVPQTP-HXUWFJFHSA-N 408.483 1.966 30 10 HDEE COc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1OC 1178590901 IWUNQFOXCYEAPX-UHFFFAOYSA-N 403.460 1.479 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H](NS(=O)(=O)c3cccs3)[C@@H](C)O)cc21 1179493919 HABJYMQJOYUCKZ-SJKOYZFVSA-N 420.516 1.950 30 10 HDEE CS(=O)(=O)CC1(CNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 1187819799 CZNFZLRMHCODSQ-UHFFFAOYSA-N 407.311 1.424 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)CC1 1198251696 KLALRALPMUQDJM-HOTGVXAUSA-N 424.471 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2SC)CC1 1207567602 SGHHZGXYOYZXKD-UHFFFAOYSA-N 402.929 1.679 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 1211135745 NFAIFOJGDQKSLH-UHFFFAOYSA-N 418.513 1.934 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)N=[S@](C)(=O)C2CCCCC2)n1 1211730512 BLXLWPNPWAQNNC-AREMUKBSSA-N 416.569 1.640 30 10 HDEE CC(C)(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1246932927 MLVYATWRXSZXCX-UGSOOPFHSA-N 414.528 1.260 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)N(C)C)ccc2C)n1 1271204751 SWWRAHZRDOLCBL-UHFFFAOYSA-N 418.519 1.364 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1CCC(=O)N1 1286373279 DASQOVSPOKFBNE-MRXNPFEDSA-N 416.526 1.741 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286382059 QEAIWYVDVLWEMH-HNNXBMFYSA-N 404.492 1.370 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCOC1 1286418515 KOYJEICMXKUQRF-GOSISDBHSA-N 418.295 1.650 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)CC 1286463911 WHKBDYISALEROI-UHFFFAOYSA-N 411.915 1.514 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@@H]2C)CC1 1286480671 OWCDCZQEJQUAFY-OKZBNKHCSA-N 405.568 1.372 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286672857 QZNICTRJEVFSLU-FOIQADDNSA-N 421.567 1.641 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286716578 HNXQTYTXOIEQRB-GHTZIAJQSA-N 407.559 1.909 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCN(C)C1 1286724842 MRIYHYJBULEVII-OAQYLSRUSA-N 412.542 1.141 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1286775602 PUOGJCJTEHFGIK-CQSZACIVSA-N 415.567 1.609 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)C1 1286799207 TVALAPYZNUMWEO-GOSISDBHSA-N 402.543 1.781 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNc2ccccn2)C1 1286808986 OUHUKYIWUJKWQV-DLBZAZTESA-N 411.510 1.908 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](C)N2CCOCC2)C1 1286812403 OUARXIMDKPFECO-UYAOXDASSA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](n2cncn2)C1 1286818822 PMQAASDEXNGKJG-HNNXBMFYSA-N 416.511 1.307 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1289511468 PGQSNAYGSBEUOI-CWFSZBLJSA-N 410.536 1.673 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1 1290434285 BIUPNUJBNDGOGZ-IBGZPJMESA-N 404.474 1.758 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccncc1)C[C@@H]1CCCO1)c1cc[nH]n1 1292943026 YZGYFKISWKLCFJ-INIZCTEOSA-N 415.450 1.296 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc3ncccc3O)cc2C1=O 1297609007 DTPRJZPVQNQXGQ-STQMWFEESA-N 422.441 1.962 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1nccc(N)n1 1298465149 GIMMQPNKIADJCI-JSGCOSHPSA-N 416.507 1.389 30 10 HDEE CCO/C=C\[C@](O)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1298577107 VEPVJIWBDSTBGZ-PTZVLDCSSA-N 420.409 1.433 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1298666191 PZJNQUNHLXBJDJ-CVEARBPZSA-N 404.467 1.863 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H](C)C1 1300430042 GEOWGNVGYPGCBP-DLBZAZTESA-N 410.588 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1 1300578806 PLENBABCWQBZJH-FQEVSTJZSA-N 405.502 1.904 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CSC1 1300607138 ACQMIEGHPWJDCP-HUUCEWRRSA-N 408.545 1.675 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300732441 NEVHWUIUEJJBRN-BEFAXECRSA-N 407.540 1.167 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCS(=O)CC1 1300863154 JMVKKGBQWBHQBN-HOTGVXAUSA-N 407.540 1.064 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)COC)CC1 1301249365 SEOMIPGVAZHKEE-UHFFFAOYSA-N 402.499 1.171 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1301490920 IKDBTRVPYGPOKR-UHFFFAOYSA-N 405.462 1.378 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301502363 GOCADERIWODCJK-UHFFFAOYSA-N 422.537 1.762 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1COCCO1 1301808606 GLAYVNIZCXMVOL-HNNXBMFYSA-N 421.448 1.929 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1Cc1cnn(C)c1 1301809169 MHZURMPHXCTKRE-UHFFFAOYSA-N 400.512 1.782 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1301976256 LLNJWJQVZUEYPG-LPHOPBHVSA-N 415.494 1.926 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)[C@H](C)O)nnc12 1306843071 VUQVUFJTQKCGEV-GXTWGEPZSA-N 401.492 1.598 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1307831954 UCSQQIJSZRMTAC-KRWDZBQOSA-N 421.519 1.142 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC 1309506795 HXAQUHVJSCTCAX-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)Nc1cc(C#N)ccc1F 1310849384 BGGUXLDKBOWJCW-UHFFFAOYSA-N 405.455 1.945 30 10 HDEE C=CCC[C@@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1311381506 RNKDXXRXIZWLOJ-GOSISDBHSA-N 421.567 1.674 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(C)C)CCOC1 1314143368 VGYXBVDNXUULND-YLJYHZDGSA-N 407.515 1.722 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)c1 1314629924 BNIQVHXQAYGFDF-QGZVFWFLSA-N 405.462 1.752 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CCO1 1315935333 KAOCBXRLSYETTO-UWJYYQICSA-N 410.478 1.147 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358917062 FUFRYMYQHJDFSR-UHFFFAOYSA-N 410.526 1.858 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1358960941 OUDCGKCNZYOVCZ-SJORKVTESA-N 417.535 1.859 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(OC)cc1 1358992601 QIFPOXSTLCCKQC-IBGZPJMESA-N 407.474 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N(C)CC 1359026316 RYKFXCPXDVYALU-UHFFFAOYSA-N 408.506 1.915 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359048974 FMYGAKXHUZFDOF-IRXDYDNUSA-N 405.568 1.986 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359054904 LQUPGKOUPGLTLG-SFHVURJKSA-N 418.548 1.117 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1359121987 QZQAMQQWZQYWSE-SJORKVTESA-N 420.539 1.167 30 10 HDEE Cc1nnc2n1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@H]2C 1440291839 WSFDUJGYCXDUNF-BLLLJJGKSA-N 407.434 1.267 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)CN1CCOCC1 1445367444 GIAUXWXHBMJEIF-HUUCEWRRSA-N 405.923 1.174 30 10 HDEE N#Cc1cncc(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c1 1456022034 ZBLXBOHWHPLTQW-UHFFFAOYSA-N 409.471 1.431 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Oc3cccc(OCC#N)c3)cc2S1(=O)=O 1460851235 WSDDLWBNOHCJGW-UHFFFAOYSA-N 416.411 1.599 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2nc(O)nc(O)c2c1)C(=O)OCC 1464255015 IQHCQSKJLAVOPG-LBPRGKRZSA-N 401.828 1.394 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1464860444 KYEFTSZDXYMOHM-UHFFFAOYSA-N 422.956 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NCC1CCN(CC#N)CC1 1465127096 VLIFKVYEBSRVMU-QGZVFWFLSA-N 406.527 1.754 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(NC(N)=O)c(OC)c2)s1 1465985204 MDCIVWPKABZLLX-UHFFFAOYSA-N 424.504 1.893 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(c3nccn3C)CC2)c1 1467748494 UDSALSRQJUUCBC-UHFFFAOYSA-N 400.504 1.616 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 1469595875 AYPBXIFUQVLKNU-WFASDCNBSA-N 422.532 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2ccccc2CC#N)C1 1471777818 BMAXLIHQJWWNSQ-INIZCTEOSA-N 421.519 1.907 30 10 HDEE CO[C@@H]1C[C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)Cc3cccnc3N2C1 1473713946 FZPYURNVYJJTPV-ZWKOTPCHSA-N 413.503 1.231 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1475132517 SRAMCNIZWXSNSG-OALUTQOASA-N 424.519 1.631 30 10 HDEE CON(C)C(=O)C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1478902530 VSSQHFUXDZAKEN-UHFFFAOYSA-N 413.522 1.964 30 10 HDEE C[C@@H]1COCCN1c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1494579586 LPTBDXZDCBQEPN-MVZUJROASA-N 423.477 1.015 30 10 HDEE CC[C@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1495246503 HSKTUMULZGYYBP-HNNXBMFYSA-N 409.556 1.861 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H](C)C1 1504886188 ACEOZCYDXIDJDF-IAGOWNOFSA-N 404.515 1.582 30 10 HDEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1505162787 AJZMIHRKLKVZOQ-OAHLLOKOSA-N 414.535 1.863 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC)[C@H]1CCS(=O)(=O)C1 1507625172 HRSMVILHHRMYLV-INIZCTEOSA-N 403.464 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1507646637 HHOLCMOTSQLYRT-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1507692366 XJZUOSNKTUPPQL-GOSISDBHSA-N 421.461 1.403 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1507712028 ASALEIWZCHHWGL-KRWDZBQOSA-N 410.540 1.431 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCC(=O)N2)CC1 1507726147 FUXVMJVLOXBFSF-GOSISDBHSA-N 408.506 1.199 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@H]1C 1507747430 XBMQDDZICHNLOI-HZPDHXFCSA-N 409.556 1.426 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1507760192 WCTYFPMKQPSSIE-HXUWFJFHSA-N 401.511 1.438 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1507844885 RSQRCHLRKNQGAX-GOSISDBHSA-N 401.515 1.883 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCc2nccn2C1 1508036380 NPYXOMAFCBDBKJ-MRXNPFEDSA-N 401.515 1.514 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1508041216 JLEPHYSCWPONIO-DLBZAZTESA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508081219 HZUSNWVASDLNOL-KRWDZBQOSA-N 423.525 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)[C@@H](F)C1 1508130484 IHVAXPQPQFMTEU-KGLIPLIRSA-N 422.486 1.320 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](CCC)C1 1508137750 QTNFMAHNBGIIGI-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCn1cnnn1 1509212161 HAWSQNDGAFTZNY-UHFFFAOYSA-N 420.525 1.752 30 10 HDEE COc1cccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1518401435 CZSAJFLOMLUJHY-KRWDZBQOSA-N 419.445 1.711 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1528593454 FXZZMKRHBZBZRX-UHFFFAOYSA-N 424.505 1.384 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCOCC1 1539037442 FUOIXXFNSRGVON-BZSNNMDCSA-N 405.543 1.571 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539155910 YRFPCOGBCKWLOO-NRFANRHFSA-N 412.494 1.927 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C2CCCCC2)CC1 1539443989 DNCMXYIDUZDESO-UHFFFAOYSA-N 424.553 1.225 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccccc2)N(C)C)CC1 1539446476 ZXDZLQQCYXSILA-OAQYLSRUSA-N 416.533 1.793 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1539519134 CFAMNVKXBBFIJQ-IBGZPJMESA-N 423.546 1.732 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)c1 1539802541 AEEYOBVKWTYLMQ-UHFFFAOYSA-N 406.485 1.524 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540004570 BCHKQCRYOXNJNJ-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1540064065 IQHWKIHBJKUIMQ-UHFFFAOYSA-N 405.466 1.474 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](C(F)(F)F)C2)nnc1C(C)(C)C 1540908295 FHARJSDRSICBSS-LBPRGKRZSA-N 410.462 1.944 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1545145060 BGNUMRFRDQHUED-VFNWGFHPSA-N 407.478 1.727 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2CC(=O)c2ccco2)c1 1545482655 NYWNNMNORZJSDS-ZDUSSCGKSA-N 420.418 1.830 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547313135 JPFMCRHHTNTARJ-UHFFFAOYSA-N 417.473 1.958 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1552423714 UMGRQYIOLUYNOB-ACSYHNTCSA-N 412.519 1.444 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCSCCCO)cc1 1554870421 HUEFTRPDFMPHQV-QGZVFWFLSA-N 403.508 1.798 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CC#N 1555686376 AVDPBKNHACODHR-HNNXBMFYSA-N 410.482 1.885 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3c(O)ncc(Br)c3C)CC2)c1C#N 1556216647 AZPLWYQOZPMZOR-UHFFFAOYSA-N 419.283 1.734 30 10 HDEE N#CC1(C[C@H](O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CCOCC1 1560230144 OTYDJVGXTNHJRT-YCPHGPKFSA-N 410.458 1.499 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccc(C(=O)NCCC(N)=O)cc3)CC2)cc1 1562880663 ATYPLXGKZJDCGO-UHFFFAOYSA-N 420.473 1.518 30 10 HDEE C#CCCN(CCOC)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1 1563904452 YPASQNZEJFSAPR-UHFFFAOYSA-N 401.507 1.910 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1565156946 VHAVUPUAVHYBCM-QZTJIDSGSA-N 407.898 1.920 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@@H](CC#N)c3ccccc3)CC2)CC1 1565595245 GKIWLFKNRIIGPR-NRFANRHFSA-N 411.550 1.381 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 1566153173 QJWDTCVGLDCUJN-ZIAGYGMSSA-N 410.496 1.488 30 10 HDEE C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1566282726 ARAQJILDDYIQIE-SNVBAGLBSA-N 423.242 1.860 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1569062774 WHTHOQIWHMOMPI-HUUCEWRRSA-N 400.435 1.960 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)C1 1570695393 RILIVVGMPZGUEK-CYBMUJFWSA-N 401.160 1.690 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(CCOCC)c1 1574597665 OGXOPQONNZEPOO-QQXKLLMISA-N 402.495 1.372 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2nnc3n2CCNC3=O)cc1C 1583557727 SXCJFWALMCJLHB-UHFFFAOYSA-N 418.461 1.346 30 10 HDEE COc1ccccc1-c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(O)n1 1585660253 HQLBPODHPWLWEJ-RNODOKPDSA-N 413.455 1.473 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1587601189 WGFPNTZNNDXHHZ-UHFFFAOYSA-N 402.520 1.601 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1588058836 DIGFCKREBYXZLY-CYBMUJFWSA-N 422.580 1.665 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1588073750 DBBGZIIAZXLXRS-QZTJIDSGSA-N 423.583 1.488 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1588139892 SDCQECKWPJVLGC-IBGZPJMESA-N 412.515 1.448 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1Cc1cn(C2COC2)nn1 1588445145 HJKUQYUTNYAZEV-UHFFFAOYSA-N 407.478 1.836 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(OC)cc2)CC1 1588751715 MNEHUKVCLDBOOD-GOSISDBHSA-N 413.522 1.814 30 10 HDEE CN(C)CCn1ccc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)n1 1595533838 WXSOSMUXRPTFPE-UHFFFAOYSA-N 424.484 1.586 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1596695650 FINVAOYHMOQDIV-LJQANCHMSA-N 409.494 1.448 30 10 HDEE CN(C)C1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1597972290 VWAOAAXYSMGTKU-UHFFFAOYSA-N 410.478 1.380 30 10 HDEE COCCOC(=O)c1c(C)[nH]c(C(=O)N(CCC#N)CCN2CCOCC2)c1C 1598066239 ZFIMGDFPNDLOCL-UHFFFAOYSA-N 406.483 1.123 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCC(=O)NC2CC2)cs1 1612411890 DOPZBIZFTDFDRS-MRXNPFEDSA-N 415.523 1.421 30 10 HDEE N#Cc1ccc(OCC(=O)Nc2nc3n(c2C#N)CCOC3)cc1Br 1627628719 YBMDEBXCDRMDDE-UHFFFAOYSA-N 402.208 1.937 30 10 HDEE COC(=O)Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 1630237530 IFDOBNDYMBFJBL-UHFFFAOYSA-N 419.434 1.609 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1630546306 GMRQHTOZUVNOJL-YJBOKZPZSA-N 417.506 1.929 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@@H]1C1CC1 1633550061 JYZDJCGOUYKRTP-CABCVRRESA-N 417.466 1.115 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1634109962 RNOQOHSAEUDDGO-YWZLYKJASA-N 406.483 1.388 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(N)=O)c2ccc(Cl)cc2)cc1 1635024131 YZZUJRRLZJHITC-QGZVFWFLSA-N 419.890 1.598 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1 1635244721 KRVNKTOFJWLSSO-LJQANCHMSA-N 404.532 1.811 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1635343747 XFDKASKPWITPDI-ZDUSSCGKSA-N 405.314 1.561 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)CCCOc2ccc(C#N)cc2OC)C1 1637068383 UDAQEOWHFCUOAF-HOTGVXAUSA-N 405.451 1.291 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc4nc(C(C)(C)CO)[nH]c4c3)CC2)c1C#N 1638690921 PPBQHGHJHFKEBQ-UHFFFAOYSA-N 421.505 1.709 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)CCCO2)cn1 1638859696 HDAXEUFPCMJHCX-UNMCSNQZSA-N 408.506 1.845 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1640208847 XDDUTAYBUHWVTD-BHEGOAEISA-N 416.540 1.973 30 10 HDEE C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1642163180 HYYMXRXCEZRSKJ-KXBFYZLASA-N 401.488 1.773 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccn(CCN4CCNC4=O)n3)n[nH]2)c1C 1646181662 IZNKYRQDOPKEOV-UHFFFAOYSA-N 423.481 1.550 30 10 HDEE N#Cc1ccc(N2CCN(CCC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)cn1 1648243279 AMSTUMAIPDYVOC-UHFFFAOYSA-N 420.517 1.941 30 10 HDEE CSCc1nc2ccccc2n1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790279 DEBGXCJLLUMMEX-UHFFFAOYSA-N 410.459 1.117 30 10 HDEE CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@H](O)c1cccc(C#N)c1 1659322186 MDAIQUHJZORXPR-NRFANRHFSA-N 423.473 1.780 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 1660016591 KWXJLPDZXPUYKS-PMACEKPBSA-N 413.522 1.636 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1664764947 QYZHJVQNBXCVJG-LLVKDONJSA-N 423.318 1.777 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1)C(=O)OCC 1664951741 PMVLYLJZNZVBRR-CABCVRRESA-N 409.932 1.956 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1665797294 TYAAWXKUDIXYBM-HUUCEWRRSA-N 420.528 1.440 30 10 HDEE C#CCSCCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1667412262 DSJAFAGJXMTSKH-IRXDYDNUSA-N 412.533 1.308 30 10 HDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 1670762285 DMCVLPXRDOZTKD-SMDDNHRTSA-N 423.413 1.776 30 10 HDEE N#Cc1nc(NC(=O)NCc2ccc(S(N)(=O)=O)s2)ccc1Br 1673983450 DTKWBVBNNKIVHS-UHFFFAOYSA-N 416.282 1.746 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1)C1CCOCC1 1674590316 KEXGZBNLBPWBJO-FQEVSTJZSA-N 412.534 1.943 30 10 HDEE C#CCC1(O)CCN(C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1677958814 VXEYTSNUAYXSFI-UHFFFAOYSA-N 419.547 1.647 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1683313398 MZRLGBXVFFSPIM-LPHOPBHVSA-N 404.486 1.474 30 10 HDEE COC[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCCOC1 1685235924 AKUBPWIAKCJXBU-NVXWUHKLSA-N 403.483 1.697 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 1687593447 QOIAOVCRUPNBIP-LJQANCHMSA-N 412.538 1.300 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(=O)NC)C1 1689887080 OMRQYNLNSHMRHU-NRFANRHFSA-N 412.494 1.772 30 10 HDEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1689922931 FPWKFBNWOJCZJM-CQSZACIVSA-N 412.881 1.159 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689986099 IPKVJSQPYLJOJB-MRXNPFEDSA-N 413.507 1.165 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1690666756 FUOCQPXCBFZWHJ-GOSISDBHSA-N 417.477 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690667252 WUTDBLSFLZTUMB-UONOGXRCSA-N 423.514 1.644 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1690669935 SRAZKTROQILIBV-OAHLLOKOSA-N 413.478 1.529 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)C(C)(C)C1 1690730169 ZGSRTPLIWDSIMX-INIZCTEOSA-N 423.583 1.874 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1690993020 DFCNPCDOGKAYDC-HZPDHXFCSA-N 419.555 1.621 30 10 HDEE Cc1cccc(-c2nnc(N(CCC#N)CC3CC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1693184253 ZXIGMZDHLNEBIR-KRWDZBQOSA-N 422.493 1.767 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)n1 1693414786 GOZQMBBUGUJRQC-HNNXBMFYSA-N 408.466 1.320 30 10 HDEE CN(C)c1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1696607873 JRBCVNQDNBPHON-DYESRHJHSA-N 411.485 1.980 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@@H]1CCOC1 1696646479 AEVZUVQPGVVWBV-GOSISDBHSA-N 407.478 1.930 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)CCC(C)C)[C@H]1CCS(=O)(=O)C1 1705567107 UFSLNLVQKDBNLN-FXAWDEMLSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1 1705573497 HVQVULKHUJPALY-OAHLLOKOSA-N 403.483 1.343 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C(C)=O)C1 1705599219 JCCGDDRKTPBQRJ-OAQYLSRUSA-N 404.518 1.985 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H](C)N2CCOCC2)CC1 1705637324 RUSJZFWICXPOGK-SFHVURJKSA-N 412.513 1.560 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1705653044 XELRBTVWLGBPTK-UHFFFAOYSA-N 418.567 1.328 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705754807 GIPMRKKKDQYRLD-GJZGRUSLSA-N 414.901 1.911 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)C2CCCC2)CC1 1705762645 DZWXABVZNFTBKP-INIZCTEOSA-N 410.588 1.919 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1705830550 SAVSYEDUWUJQCL-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC=C(COC)CC1 1705906153 UXNQINXXDPWVRI-UHFFFAOYSA-N 402.524 1.719 30 10 HDEE CCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1709453147 BNHGLCSXQGGLQZ-HXUWFJFHSA-N 417.535 1.849 30 10 HDEE Cn1cc(Nc2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)(F)F)cn1 1711256699 DABFKMOBWUGQAV-UHFFFAOYSA-N 404.356 1.972 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722332741 OHAPOTNTRDKIDF-QGZVFWFLSA-N 400.527 1.922 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1CCN(c2ccncc2)CC1 1722357282 WRQMJPRYXLSCRB-UHFFFAOYSA-N 407.522 1.782 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722366309 HMNROGXBVGKURF-QGZVFWFLSA-N 400.504 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@](C)(O)CCOC)CC1 1722440786 JVPAMPJMURHXBS-OAQYLSRUSA-N 405.543 1.329 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC(C)(C)O)CC1 1722443337 GVZXCSPZZFFXSN-UHFFFAOYSA-N 411.506 1.690 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722452899 MAZAOSIJYHSOGJ-SJORKVTESA-N 404.584 1.799 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722502817 ASSZASRBTFEZME-SJORKVTESA-N 409.556 1.608 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1722527941 DEVDXTADJSWCKW-UHFFFAOYSA-N 403.483 1.910 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cn3ccsc3n2)CC1 1722560387 YJZYQWKVISBAIT-ZDUSSCGKSA-N 421.552 1.802 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1722617386 JEPAEDPLCYEVMZ-QVKFZJNVSA-N 416.526 1.953 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722627963 VANXTDAJAVYZDO-UWJYYQICSA-N 421.542 1.578 30 10 HDEE C=CCn1c(N2CCO[C@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722691057 PFEUAYUOWSGTSW-FXAWDEMLSA-N 402.499 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1722725131 GRBCPDHVMKDKJI-UHFFFAOYSA-N 424.548 1.089 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1723771550 VCVAHJYGODVZPA-PXAZEXFGSA-N 423.315 1.936 30 10 HDEE C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1723866814 HCTXNCZJDMXYGL-BZUAXINKSA-N 411.576 1.359 30 10 HDEE CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1728129936 UWVHTCWWDLUPGU-AEFFLSMTSA-N 422.599 1.898 30 10 HDEE COC[C@@H](F)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730480655 NJQRWQRRVKPPQO-GJZGRUSLSA-N 402.478 1.763 30 10 HDEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1730922723 QNADGNARHNETHL-UHFFFAOYSA-N 413.482 1.718 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740586750 MAROCXMHHTVGMP-SFHVURJKSA-N 422.489 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1740641375 ILIBUABAANSRAG-AVRDEDQJSA-N 411.506 1.202 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(C2CC2)CCC1 1740646211 SKJGZBZPADZHJA-INIZCTEOSA-N 403.552 1.932 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CN(CC(C)C)CCO1 1740684174 XPJSGCSMGMKQSG-LJQANCHMSA-N 414.554 1.726 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2cccn(CC)c2=O)CC1 1740702495 QQARINYUEPIGJB-QGZVFWFLSA-N 424.549 1.987 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1740722223 FVKMMYIKQPELEO-ZDUSSCGKSA-N 419.473 1.686 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCOCC2)C1 1740972655 KWMFRCVWDRZTDS-DYESRHJHSA-N 422.526 1.253 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1740995105 AAVWTXWKXZYLOI-UHFFFAOYSA-N 420.583 1.786 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)no1 1742128122 DKYSHMACKJVUGU-UHFFFAOYSA-N 400.464 1.642 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1743385182 HBTLOYQRSHAYBW-LRDNONRASA-N 419.432 1.416 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCS(=O)(=O)C1 1748650660 BHGPESPERJUASO-KBPBESRZSA-N 403.464 1.746 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1748846301 FWKQOEQBUUNTSL-SFHVURJKSA-N 411.531 1.589 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1noc2c1CCCC2 1748874744 DFVVZISLXLTPAO-JXFKEZNVSA-N 409.490 1.990 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(CC)CCC)CC1 1748971639 XOSMFKQMRWQUAF-UHFFFAOYSA-N 401.559 1.001 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(F)(F)F)CC1 1749016732 MGNRPOJYVVUADS-UHFFFAOYSA-N 406.412 1.792 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749234092 ACBAEKWXFZLFFP-ZWKOTPCHSA-N 403.527 1.999 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1749458131 YTRRIXFNLSVQMZ-QGZVFWFLSA-N 419.526 1.944 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1749635004 QLGKCJLDSVXLKF-INIZCTEOSA-N 422.580 1.824 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@]2(O)CCOC2)C1 1749719474 WDYBCWYCFNYFLN-NQIIRXRSSA-N 418.469 1.929 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)CCCO1 1749829285 VCHQPXSPEPOGFJ-HXUWFJFHSA-N 416.482 1.941 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1750192041 ZNKWXJLEPMRZNF-PBHICJAKSA-N 411.503 1.929 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1760181820 BXIXIQJDAQWNHP-INIZCTEOSA-N 407.540 1.399 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccn(CC)c1=O 1760206739 KMWJCRRMQYKMDH-UHFFFAOYSA-N 403.490 1.442 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnn3ccccc23)CC1 1760256451 HEGKTOUEZXICOX-GOSISDBHSA-N 423.521 1.453 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCN2CC=CCC2)CC1 1760261944 XMDISGSYQALAOS-UHFFFAOYSA-N 420.561 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nccs2)CC1 1760263759 NVCBNJRAJFZTCL-RDJZCZTQSA-N 402.524 1.262 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760273304 OHVWFIVGDPUQGV-OXJNMPFZSA-N 419.551 1.265 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760307613 SZKOPSDGWJXXLY-MJBXVCDLSA-N 410.316 1.796 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1760357453 JKZFDEAOHOWXFS-INIZCTEOSA-N 415.560 1.438 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnn(C)n1 1760477815 LRGPALWOHGNQSW-MRXNPFEDSA-N 423.481 1.002 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1760521589 XYRJJBAJZHATLQ-ROUUACIJSA-N 408.506 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1760535204 MWXCLOCTHOUWKZ-IAGOWNOFSA-N 405.543 1.852 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOC[C@H]2C)C1 1760541581 FAFVFZWCNGWDJJ-GUDVDZBRSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760552553 RWNXUQRWFCHSSR-JKSUJKDBSA-N 404.540 1.547 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1761546089 NGRCBOQLBXHJBX-BTYIYWSLSA-N 413.526 1.445 30 10 HDEE CCc1nnc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)s1 1762826090 ROPJLJHYSSHDIP-SJCJKPOMSA-N 409.491 1.906 30 10 HDEE C[C@@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1762924275 ACXOOZJGDINIBC-OAHLLOKOSA-N 403.508 1.867 30 10 HDEE CCCN(CC)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1764308671 WVICRJVACXKWSO-OAHLLOKOSA-N 415.498 1.466 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1767553537 OIOQWBTXUQTQDT-UHFFFAOYSA-N 411.510 1.784 30 10 HDEE CO[C@H](C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](F)(C#N)C1 1768022177 GCCSHFKDMTVBLZ-FOIQADDNSA-N 414.489 1.929 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1769985127 XZJUIZYFCPUZAC-ORAYPTAESA-N 402.455 1.217 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C)C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1851974889 UBYXJDFQOVURGD-QGZVFWFLSA-N 418.563 1.888 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)nc1C 1852514121 TULZGPFYSBFKEL-OAHLLOKOSA-N 408.462 1.437 30 10 HDEE CCS(=O)(=O)N1CCCC[C@@H]1CNC(=O)c1cn2cc(C#N)cc(Cl)c2n1 1853203451 WFWRLYPEZZRPBA-CYBMUJFWSA-N 409.899 1.793 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@@H]1C 1854258952 QUWVEBOVLCPBEW-WMLDXEAASA-N 409.483 1.224 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCCc4nc(OC)cc(C)c43)C2=O)CC1=O 1855306518 GFEXUGAAQISCDH-NVXWUHKLSA-N 412.490 1.313 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855312564 TYZGRFLVLUSUCT-SFHVURJKSA-N 409.552 1.382 30 10 HDEE CC(C)n1nc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)ccc1=O 1855407964 PZJMDLNIQAZZHH-FUHWJXTLSA-N 411.506 1.971 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855666461 BJBSJTJPZYTILM-QWHCGFSZSA-N 421.391 1.446 30 10 HDEE COc1ccccc1OCCN(C)C[C@@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1855779497 BRBARERBCXKPJL-INIZCTEOSA-N 408.458 1.961 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@H](CN2CCC(C#N)CC2)CC1=O 1855868132 WVQZIAGVGBWUME-DLBZAZTESA-N 404.511 1.997 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ccc(F)cc3F)C2)C1 1856378356 SUXCPDVSVXDWMC-CYBMUJFWSA-N 412.396 1.983 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(N(C)C)CC3)ccc21 1857178808 KRCDDYFZTYZHRA-UHFFFAOYSA-N 405.520 1.783 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@@H](C)S(=O)(=O)CC3)CCC2=O)cc1C#N 1857365386 CIUSJOGAUISCJI-SJORKVTESA-N 417.531 1.755 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2F)CC1=O 1874336427 BRUNXSWGLJGQHL-UOERRNGJSA-N 422.461 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1990024920 XYVOJLISTAPKRQ-MELADBBJSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261272 NFWBHKPITAGWNF-MNVSYLFESA-N 410.320 1.957 30 10 HDEE C=CC1(NC(=O)C2=C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1993332856 YLINHQBCJHDMJF-GJZGRUSLSA-N 423.510 1.862 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)O 2151770297 JXIIFZDQDMMITE-LBPRGKRZSA-N 417.871 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174788127 BBNTWOMIKGZUSW-RXBISOJRSA-N 420.557 1.574 30 10 HDEE CCOC(=O)NS(=O)(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631139 LBZMIDBFZVSSLY-SNVBAGLBSA-N 404.319 1.689 30 10 HDEE C#CCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180093587 WQTYHLMFTFBKKX-OWCLPIDISA-N 400.541 1.821 30 10 HDEE C[C@H](NS(=O)(=O)CCS(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625771 CJACUNVVXWGJJM-NSHDSACASA-N 423.387 1.072 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)CC1(C#N)CCCCC1 2187584457 QWPDYWPQLHABJL-CABCVRRESA-N 401.529 1.750 30 10 HDEE COCCN=C(NN)Nc1ccc(Br)cc1I 2217117452 ANRIGCOHFXZMNW-UHFFFAOYSA-N 413.057 1.931 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCn2cnc(I)c2)cc1 2237129299 DIQMCAFEODBGOH-UHFFFAOYSA-N 402.217 1.338 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NC(=O)[C@H]3CCS(=O)(=O)C3)n2)OC1(C)C 2241217072 YCMYEHXXSUZKSR-JTQLQIEISA-N 400.693 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379012 COTXAXZXOJQCPC-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2247858269 MFGQWJCPFYWMEH-UHFFFAOYSA-N 423.319 1.853 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2250273460 RRQRVFOFTYIXHK-OCCSQVGLSA-N 420.319 1.742 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@](C)(O)CC2)OC1(C)C 2282341049 MXUNSJCGNLEDJG-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@H]2CO)OC1(C)C 2282420194 VUDBFCJASHEBAD-LBPRGKRZSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCOCCF)c(Cl)c2)OC1(C)C 2282493327 SVGHZYFREKDBAC-UHFFFAOYSA-N 407.700 1.904 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N(CCN)CC(F)F)OC1(C)C 2282495317 KUAWXKFXXHEYIK-UHFFFAOYSA-N 410.317 1.403 30 10 HDEE C[C@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282502902 RDPDDPSQENQCRQ-SNVBAGLBSA-N 402.709 1.134 30 10 HDEE CC[C@@](C)(CN)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505410 CYTOUBGEZKVYHB-INIZCTEOSA-N 403.379 1.331 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CCOC3)ccc2Cl)OC1(C)C 2282507673 KZRFVQBCOILPSZ-LBPRGKRZSA-N 401.721 1.954 30 10 HDEE CCS(=O)(=O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282830187 QCCRIIRJXWHAKQ-UHFFFAOYSA-N 423.387 1.069 30 10 HDEE CCSC1(CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CC1 2282846123 DWNAGEVDUAPROU-UHFFFAOYSA-N 401.363 1.283 30 10 HDEE C[C@H]1C[C@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852284 NGMUIXVEAYPDIX-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H]2CCN)OC1(C)C 2282856127 OAOQCDMLXOGVMN-ZDUSSCGKSA-N 400.375 1.939 30 10 HDEE CC1(C)CCN[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282856885 ZWDWAESXMNMBPB-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CSC1(CNS(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2282867064 SSDWMSVWKPRXBW-UHFFFAOYSA-N 401.363 1.202 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H](O)C2CC2)OC1(C)C 2282880883 OGKFFNRGCPINQG-AWEZNQCLSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3NC(=O)C[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284423747 XBCDAVUSXKYCGL-MRVPVSSYSA-N 400.649 1.031 30 10 HDEE COC[C@@]1(C)C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284686294 XRMJVTHUZVKQDS-YVEFUNNKSA-N 401.359 1.998 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@H]2CN(Cc3ccccc3)C[C@H]12 2315533637 LHDVLOMVPWCNQX-IRXDYDNUSA-N 422.338 1.580 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2342064475 SFSKKBVCNZPGIE-RXVVDRJESA-N 420.531 1.319 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H](NS(=O)(=O)N1CC[C@@H](C#N)C1)[C@@H]2F 2358249240 GPGPMCRUWRBDIP-AICCOOGYSA-N 402.492 1.545 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2C[C@@H]2CC(=O)O)OC1(C)C 2360944396 RNTNKBQXMKBNSC-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(COC)NC(=O)OC(C)(C)C 2367791179 IQRWEYUFBYWXJG-MAUKXSAKSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2367820898 SDJPJEQNFTVQKX-OAHLLOKOSA-N 400.541 1.307 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2375788006 LDBXYVYTHDJJLE-UGSOOPFHSA-N 402.513 1.255 30 10 HDEE CCn1c(=O)/c(=C\c2ccc(Cl)cc2)s/c1=C(/C#N)C(=O)NCCCOC 5446679 ZAUHLAHHMVLADO-SRDSUALGSA-N 405.907 1.239 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(c2ncccn2)C1 46424792 WELUPFZEKXUDNU-QGZVFWFLSA-N 404.478 1.726 30 10 HDEE N#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCCC1 61171774 UHGWHIALBWCNGV-UHFFFAOYSA-N 419.503 1.811 30 10 HDEE N=C1O[C@H](c2ccc(Cl)cc2Cl)C(=N/NC(N)=S)/C1=N/NC(N)=S 109703977 FZYQYILGHUVFCT-YHVQUEPMSA-N 404.308 1.420 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(F)cc1 254396906 HICATRTYXXTLFH-CHWSQXEVSA-N 400.453 1.288 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CCO1 409583842 WMEPRTZBXAIGAO-GOEBONIOSA-N 421.454 1.524 30 10 HDEE CN(C)C1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 434680215 SXBOTEDVOFQXIR-UHFFFAOYSA-N 412.494 1.481 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 448471895 MPJVNKCVLLFICP-AWEZNQCLSA-N 410.400 1.338 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 469124089 SWKKZHSNBSJIMN-UHFFFAOYSA-N 414.491 1.661 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@@H]3CCCC[C@@H]32)C1=O 476794035 ZOOJVIBIFJEBMM-KKUMJFAQSA-N 419.478 1.465 30 10 HDEE Cn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 478861466 VIPMLGIJURKGDW-HNNXBMFYSA-N 420.494 1.131 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COc2ccccc2)C1 508809179 KIIPUTAUKLUUKW-DOTOQJQBSA-N 421.523 1.359 30 10 HDEE COc1ccc(CN2CCN(CC(=O)N[C@](C)(C#N)C(C)C)CC2)c(OC)c1OC 511072841 MQVWVCBEHBYETJ-JOCHJYFZSA-N 418.538 1.884 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 511362497 LCOSZJCELSLKIB-QUCCMNQESA-N 400.523 1.784 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 513048465 ZKJWFOXDUGAEBL-UHFFFAOYSA-N 411.527 1.749 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(F)cc1 514918162 SQBFZAMIRVSZMW-UHFFFAOYSA-N 411.458 1.906 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(-n4ncn(C)c4=O)cc3)cc2C1=O 536557723 YQMFCZLTRZVHAB-UHFFFAOYSA-N 403.398 1.605 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)c3cnc(C(F)(F)F)c(C#N)c3)CC2)CC1 550522100 VYTMLYKNTPXZLU-UHFFFAOYSA-N 423.439 1.988 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)[nH]c2c1 554361806 LQPSSDWCXAEXNC-UHFFFAOYSA-N 402.458 1.967 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 555267684 ACXQVOCBKAWFQC-OAHLLOKOSA-N 403.443 1.888 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 577024126 ANQHTYASNRBNBR-UHFFFAOYSA-N 418.519 1.856 30 10 HDEE C=C(C)CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)O)C2)cc1 578567059 YETZKSRPKRZGSW-ZDUSSCGKSA-N 402.494 1.490 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c1 610657951 QEPWCEBNUYAMJB-UHFFFAOYSA-N 422.326 1.025 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1)C1CC1 642432831 PDZGQRJBVSAYMB-GOSISDBHSA-N 417.535 1.814 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCN)c1 703971827 JWXNINGYURGOHC-OAHLLOKOSA-N 411.483 1.273 30 10 HDEE CC1CCN(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)CC1 718795600 BGJOXWXWGOAHDN-UHFFFAOYSA-N 401.363 1.509 30 10 HDEE C#CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)[C@@H]1CCS(=O)(=O)C1 731212646 HIRRUBNUKGVFIB-GOSISDBHSA-N 409.939 1.111 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(F)cc1C(F)(F)F 735080071 DIOTYLZAZLAFEC-YPKPFQOOSA-N 407.345 1.649 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cccc(I)c2)CCN1C1CC1 739959828 RRMDRBFDJYHIDF-ZDUSSCGKSA-N 417.272 1.652 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1noc(-c2ccccc2)n1 753419744 NCSNUZUDKXEIDO-UHFFFAOYSA-N 412.427 1.909 30 10 HDEE Cc1ccc(S(=O)(=O)NN=CCN2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 755473657 XLTQIRVPLIKYOX-UHFFFAOYSA-N 402.388 1.464 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 757599181 XXUACZSNPSPAFM-GOEBONIOSA-N 407.492 1.969 30 10 HDEE C#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 759195337 IJXSLOPIUWZMMJ-WJDWOHSUSA-N 404.488 1.478 30 10 HDEE COCCc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n(C)n1 768343240 GIUBFTPNGAQFMM-GFCCVEGCSA-N 405.480 1.065 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(Cc2nnnn2CC2CC2)C1=O 769736073 OLLWBPWWXBMXMX-HNNXBMFYSA-N 413.507 1.659 30 10 HDEE COc1ccc(N2CCN(C(=O)Cc3noc(-c4cc(C#N)cn4C)n3)CC2)cc1 771082488 LMOLUMHQJXWKIK-UHFFFAOYSA-N 406.446 1.847 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@H]1CCOC1 783956831 IMWHVBXUILTCPR-CYBMUJFWSA-N 409.496 1.220 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(N3CCN(CC)CC3)nc2)n1 788863339 ZRSYKIPJWSDTDC-UHFFFAOYSA-N 409.538 1.785 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(=O)OC)CC1 800777978 YFSMTQULPWIUIC-UHFFFAOYSA-N 414.466 1.779 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCN(CC)C1=O 802369478 GPVQXHLCUSGDRK-LSDHHAIUSA-N 406.508 1.021 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N(C)CCCc2[nH]nc(N)c2C#N)[C@H](c2cnn(C)c2)C1 849569224 SGYAWKOFVMMDBA-AEFFLSMTSA-N 412.542 1.502 30 10 HDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917701070 VEBDORMGEASSJL-MRXNPFEDSA-N 413.503 1.683 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 1084298206 WMGPKFACRGBYQW-UHFFFAOYSA-N 415.439 1.932 30 10 HDEE COc1ccc(OC)c(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1 1084608280 ALPPXTSLLFNIRH-UHFFFAOYSA-N 420.480 1.850 30 10 HDEE CCc1nnc(CSc2nnc(NN=Cc3ccc(C(=O)OC)cc3)n2N)o1 1084653179 AUNRJRMMSPIGPE-UHFFFAOYSA-N 402.440 1.462 30 10 HDEE CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1134428997 KMAVLRCNNYWFIM-KPZWWZAWSA-N 408.549 1.815 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cn(Cc3ccc(Cl)cc3Cl)nn2)CC1 1137371154 HKUXOOXBQSRRGD-UHFFFAOYSA-N 407.261 1.831 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N[C@@H](C)CC)CC2)c1 1141445932 WVQWSOGLXBMESB-KRWDZBQOSA-N 419.547 1.156 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC(=O)N1CCCO1 1143376621 IQFQLCZHVVNTSM-SFHVURJKSA-N 414.462 1.673 30 10 HDEE N#CCN1CCC(CNC(=O)c2cnnn2-c2ccccc2Br)CC1 1146578897 JNVVWBRQMLGITH-UHFFFAOYSA-N 403.284 1.995 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2cc(F)ccc2C1 1150002138 CDUFVWHUYBSZBI-UHFFFAOYSA-N 403.435 1.676 30 10 HDEE C=CC[C@]1(C(=O)NCCc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1155112899 OLGBNKJLECDDAL-HXUWFJFHSA-N 416.482 1.422 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C(=O)OC 1161365051 NTLQUOSIPQGKRB-NKAIQICCSA-N 404.488 1.380 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)N2CCCN(Cc3ccccc3C)CC2)CC1 1170323537 FGSBSDGKXURNJN-UHFFFAOYSA-N 412.534 1.808 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)C2)nc1 1178460820 SKGWPCRKTPFLFB-RBUKOAKNSA-N 417.469 1.875 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(C[C@@H]4CC(=O)NC4=O)cc3)C2)nc1 1178460821 SKGWPCRKTPFLFB-RTBURBONSA-N 417.469 1.875 30 10 HDEE CCc1ccc(C#CC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180000665 OCVHXWPJAJXVFP-GOSISDBHSA-N 411.502 1.937 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 1197633876 WKJKVLPKBPGIDC-UHFFFAOYSA-N 422.551 1.945 30 10 HDEE Cn1cc([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(F)cc2)cn1 1226693910 RNRNSAQEZHRMDT-IEZWGBDMSA-N 417.466 1.228 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286356225 MFXNADSTHWCHOW-MRXNPFEDSA-N 414.535 1.788 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1286389122 YMABEJDIHVGOIH-HOTGVXAUSA-N 422.507 1.135 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCCC2=O)c1 1286407496 WYCKILWPWDGWPD-UHFFFAOYSA-N 411.469 1.983 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCOCCS(C)(=O)=O 1286422849 BPFMDSRSKZDCOH-UHFFFAOYSA-N 400.504 1.469 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)O 1286522228 LPNPKWAUTNTVSU-JOCHJYFZSA-N 406.490 1.955 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1286591638 OBKQYTFRFJVDGD-FXAWDEMLSA-N 424.553 1.690 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@@H]2C1 1286615462 NNLJLKJPMALJID-FHWLQOOXSA-N 421.542 1.116 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286758485 OOAMVTAVPOOUDR-MBOZVWFJSA-N 422.551 1.697 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCSC2(CCOCC2)C1 1286785865 SCBOPXSKZWVZKS-UHFFFAOYSA-N 402.524 1.678 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1286837654 YSLWBSDDRDDQCP-OXQOHEQNSA-N 423.583 1.906 30 10 HDEE COc1cc(Br)c(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1292094095 FHMYPGLERMTAMZ-UHFFFAOYSA-N 423.223 1.629 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 1292240163 GTGXQXMZILRBSP-KPLDXPABSA-N 404.511 1.066 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OC[C@H]4C3)C2)C1 1294596340 ONLSILVZAROCJS-LNWMTBOKSA-N 404.467 1.436 30 10 HDEE C=CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1298471725 QOHKVHZPDPLHAE-BZUAXINKSA-N 411.524 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCN1CCN(C(C)=O)CC1 1300446642 ODDNNXDNHJEXJN-UHFFFAOYSA-N 418.904 1.971 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300484557 QGLYGKRGTMQLEI-KRWDZBQOSA-N 421.567 1.431 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCCC#C[Si](C)(C)C)cc1OC 1300588550 QLWTWXAQHYWGMR-UHFFFAOYSA-N 412.584 1.759 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NC(C)C 1300590614 CHWYVCKQORUESO-UHFFFAOYSA-N 404.474 1.716 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)N(C)CC 1300591177 MRFQFRLZTCUKCH-UHFFFAOYSA-N 412.519 1.211 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCCC1(C)C 1300654227 VONBBHBVLPGWPT-FCHUYYIVSA-N 420.554 1.957 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1301422243 DGKAXWDYLDTONT-LJQANCHMSA-N 411.506 1.989 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 1301521096 ZTGIWZKLNOSEEK-IIDMSEBBSA-N 418.542 1.166 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)NC(C)C 1301579123 NGHRZDVWHDVFDV-UHFFFAOYSA-N 420.539 1.210 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2ccnn2)C1 1302978453 CLCCLPBOPFYQDH-GOSISDBHSA-N 411.401 1.977 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1303347218 KLIRLSIALQEWQU-DYESRHJHSA-N 416.526 1.884 30 10 HDEE Cc1cccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNS(C)(=O)=O)n1 1304474604 STXDQGIRUSRQAG-LJQANCHMSA-N 417.539 1.718 30 10 HDEE COc1c(F)cc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(N)(=O)=O 1304490725 KIYIMRCKPGEHJZ-UHFFFAOYSA-N 424.479 1.124 30 10 HDEE CCc1nnc(N2CCC[C@H](CN(C)S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1306162034 DXRHEOAYJMBQRH-CQSZACIVSA-N 406.512 1.461 30 10 HDEE Cc1cc(N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C#N)cc1[N+](=O)[O-] 1306975114 PRECZVBQODSYKS-UHFFFAOYSA-N 415.494 1.830 30 10 HDEE Cn1nccc1[C@@H](NCCS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1307895884 CASJLXLBJJHKNO-QGZVFWFLSA-N 404.492 1.738 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCC(=O)NCC#N)C[C@H]1c1cccc(F)c1 1312661014 KLWGNQLINSMPQL-JKSUJKDBSA-N 419.457 1.468 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCc2nccn2C1 1315034606 YEAHDDIHYLZZEJ-QGZVFWFLSA-N 418.505 1.848 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H](OC1CCOCC1)c1ccccc1 1352234727 OJKDONQUHVVOIG-GOSISDBHSA-N 411.462 1.993 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCCn2cnnn2)c1 1358903450 XEYGVKPUTJLJLZ-UHFFFAOYSA-N 421.509 1.610 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1358917737 ZOSCAOWYSRZPIE-QGZVFWFLSA-N 408.510 1.995 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1358955436 LVZJRDHUHIFVLD-OGZRUICASA-N 405.524 1.107 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1358974562 JOMMOBRDHZPQGU-UHFFFAOYSA-N 419.363 1.425 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1358979654 TXVUEAQGTPQDTO-RXVVDRJESA-N 421.501 1.584 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCc1nnc2n1CCCCC2 1358991836 QILLKZNUIWFUTA-UHFFFAOYSA-N 415.505 1.759 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1Cc1nnnn1CC1CC1 1359013943 RDOYNIKYZSUMGC-UHFFFAOYSA-N 410.457 1.901 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)OCCCO2 1359023073 YHJGRWCEJWOCNB-UHFFFAOYSA-N 422.489 1.974 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](CCC)OC)CC1 1359034165 GCMYGEONIWOWHX-MRXNPFEDSA-N 414.510 1.576 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(C)CN(C)C2=O)CC1 1359040785 GKDVWAADSAVQII-QVKFZJNVSA-N 400.527 1.236 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCn2cc(C)cn2)CC1 1359043179 KFFYVRPCBSTDGC-UHFFFAOYSA-N 420.521 1.455 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCO2)CC1 1359044591 JVDYRRYMPKGXPH-MOPGFXCFSA-N 415.538 1.707 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359289179 HYERSBGVNKPAJM-CQSZACIVSA-N 401.471 1.671 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2ccccc2)C1 1359291033 BUKQPMDLUWJCBU-KRWDZBQOSA-N 412.494 1.296 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)cc1F 1359303077 CVGGYMOMBUQMAO-UHFFFAOYSA-N 418.448 1.617 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1359303820 BUBPDJFSJUGEJU-QZTJIDSGSA-N 413.526 1.305 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)C1 1359318420 FADSIOAQFNNFLY-INIZCTEOSA-N 406.512 1.061 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(O)(CC)CC)C1 1359322062 PCICFKBNFNVHDY-HZPDHXFCSA-N 412.556 1.513 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCCO1 1359466106 STKNXHNISRACPV-DLBZAZTESA-N 404.515 1.696 30 10 HDEE CC1(C)CN(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCO1 1360784413 FFQMMDFNLXTPPA-IERDGZPVSA-N 415.542 1.470 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(F)c2OC(F)(F)F)CC1 1443351200 ASGRBTHMYRHQHX-UHFFFAOYSA-N 401.360 1.622 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccnc(OCC2CC2)c1 1443399178 PNAZJUYLZYQRED-CQSZACIVSA-N 414.487 1.725 30 10 HDEE CNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1446521263 QXAONGLJSMKUEX-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1449750331 RTFLCJHNUUQTKS-GJYPPUQNSA-N 424.519 1.611 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1450329221 PCFCTYYFLJTAED-GOSISDBHSA-N 406.504 1.847 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C2(O)CC2)CC1 1452923814 YOPKPRUGQKKNOW-QGZVFWFLSA-N 419.547 1.903 30 10 HDEE Cc1ccc(C(=O)NCc2cccc3nsnc23)cc1S(=O)(=O)NCC#N 1455712021 IAPGXLHDLMEIEV-UHFFFAOYSA-N 401.473 1.732 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)/C=C/c3ccccc3)CC2)C1 1456508264 LCVCWSBLSAEQCH-OVCLIPMQSA-N 404.488 1.831 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 1463749732 MPDHIXJWWRNDJV-UHFFFAOYSA-N 410.492 1.547 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2nc([C@H]3CCCO3)n[nH]2)ccc1Br 1463959755 GMWGCOSVXSZHRX-GFCCVEGCSA-N 412.269 1.769 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)c2cccnc2OCCO)CC1 1464745409 IFTDGQVJUNXFPM-UHFFFAOYSA-N 403.442 1.835 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(NC(=O)NC)CC3)ccc2c1=O 1469002309 NBBNDAWYDRCINL-UHFFFAOYSA-N 401.492 1.405 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1470539754 QPOPQMDBVUWPPT-HOCLYGCPSA-N 417.897 1.779 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1470663841 ROSWEEHOVZBSPR-ZEVUXNIQSA-N 404.488 1.559 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)C1CCOCC1 1470863390 BUSXSRLWOFWWMZ-HXUWFJFHSA-N 408.502 1.993 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)C1 1471335657 GHLJIGYPTHGLID-AWEZNQCLSA-N 424.489 1.082 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)cc1 1472227274 KOEZTNHJGJUWRI-UHFFFAOYSA-N 404.477 1.655 30 10 HDEE N#CCNC(=O)CN1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1473672458 XQDCFAIQWCLHHP-UHFFFAOYSA-N 411.466 1.050 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)c1 1475714289 DGIJEEYIFIFFFF-QRQLOZEOSA-N 424.519 1.186 30 10 HDEE C=CCN(C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1476000247 QXPZKQAUHMDYHR-CQSZACIVSA-N 415.487 1.901 30 10 HDEE Cc1nnc(CCCn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)s1 1492765796 RYNJRRAJGLFJMM-UHFFFAOYSA-N 409.523 1.973 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1507633088 AUHYENRFFPOLGD-QGZVFWFLSA-N 417.535 1.705 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnccc1OC 1507637451 PVRWYECUGDIWQX-UHFFFAOYSA-N 401.430 1.450 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccc(OC)c1 1507659559 ZIVYXQOOBQSIDV-LJQANCHMSA-N 407.474 1.641 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1507758028 GNRNQFVNCAOOGC-KXBFYZLASA-N 407.540 1.011 30 10 HDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507783651 DNHQNOLCQLWALJ-CYBMUJFWSA-N 420.377 1.903 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1508081280 WGHBSQZNFOPEKB-QGZVFWFLSA-N 409.498 1.327 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)N(C)C)C1 1508125213 HTUBJTFMORRUMP-GOSISDBHSA-N 423.521 1.776 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(C#N)cn1CC 1525796821 XGJNNVJXXMEJGT-APYUEPQZSA-N 410.430 1.302 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)s1 1528252357 FLMJOGFATLTOMC-QWRGUYRKSA-N 410.970 1.767 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1nc(C(F)(F)F)no1 1529357332 QQOAZOUTSNOZPQ-SECBINFHSA-N 417.369 1.771 30 10 HDEE N#C[C@@]12CN(C(=O)COc3ccc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1536179670 LGMZQKOBJUYEGH-BONVTDFDSA-N 417.256 1.364 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)N1CCSCC1 1538995304 LYNIGOYAVQNSOP-HNNXBMFYSA-N 422.580 1.120 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCOC3)n2CC(C)(C)O)c1 1539043825 UVBLUDZCNQJNDS-KRWDZBQOSA-N 411.506 1.999 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1539175494 ZQGSWTLMQKIVHF-CABCVRRESA-N 404.515 1.848 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1539223159 ZIPOZJIMJIYBBF-AEFFLSMTSA-N 407.584 1.903 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)CC1 1539888614 SLSLSAOPKFHEMZ-QGZVFWFLSA-N 400.527 1.938 30 10 HDEE CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)C#CCOC)C2=O)cc1OC 1540716251 TXHWHTTZTQVJRC-GHRIWEEISA-N 418.471 1.896 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccs2)C1 1540885012 ZWIABAURTFRXHQ-KBPBESRZSA-N 411.553 1.779 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1541637469 NTPWKBAJVQYWCN-NRFANRHFSA-N 409.494 1.403 30 10 HDEE COCCCN(C(=O)CCCC(=O)Nc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 1542369078 FZOASNYHNXIMFW-KRWDZBQOSA-N 421.519 1.719 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)CC1 1543099084 CAPVYEAXDWSDKA-QPJJXVBHSA-N 401.482 1.811 30 10 HDEE CNC(=O)[C@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1543358492 BJHWOFLHRBFWAZ-SDMXJPDVSA-N 404.511 1.758 30 10 HDEE CO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555147249 KMWCCSGQIHWALD-UVTIVQHFSA-N 402.499 1.717 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1555792155 GRXUBDBZYSYIOR-RHSMWYFYSA-N 411.503 1.929 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@H](C)C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1556466877 QCRQNIYFKFUKKM-QXSJWSMHSA-N 415.456 1.938 30 10 HDEE C=CCONC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1Br 1556633415 FBGQVKVFGLXZIE-LLVKDONJSA-N 419.297 1.754 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1556806256 IGRYMFPKIRPZOW-SJORKVTESA-N 420.514 1.911 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H](N(C)C)C1(C)C 1557154686 JYDJCNCQWNEQGH-JQHSSLGASA-N 420.579 1.985 30 10 HDEE C#CCN1CCC[C@H](NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1558328596 BRFMMGKVNBRVRH-GDWUOILNSA-N 410.518 1.114 30 10 HDEE CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1559741478 NHVRUYCYRBZFTB-INIZCTEOSA-N 405.458 1.847 30 10 HDEE CC(C)(C)OC(=O)NCCc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1566317963 NRGKTHVLDHWIQR-UHFFFAOYSA-N 400.479 1.952 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCCN(CCCO)C3)C2)C1 1569250805 HGEABRQEISJTCN-RKQJOMJXSA-N 420.554 1.736 30 10 HDEE C=CCn1cc(CNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)nn1 1570505830 VVKIMFKNTHSYST-UHFFFAOYSA-N 413.297 1.458 30 10 HDEE CN1CCC(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)(N2CCOCC2)CC1 1585024689 GAQWEMWQZDFNBI-UHFFFAOYSA-N 400.498 1.642 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(OC)[C@H](C)C(=O)OC(C)(C)C)s1 1587604402 GCAHRQCQKZMYHI-GFCCVEGCSA-N 418.537 1.875 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1587632176 JHFOVLXBRQXWOC-SJLPKXTDSA-N 417.535 1.956 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1587798071 BBKQNARKFJSKSV-GOSISDBHSA-N 422.537 1.823 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1587955857 ISSGEALJENIOAP-HSZRJFAPSA-N 417.469 1.674 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1587979617 VDALEJYSAFRYRD-GFCCVEGCSA-N 419.388 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)nc2)CC1 1588968793 QHJLEEWVBWVHAZ-UHFFFAOYSA-N 412.494 1.232 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1594627751 XAWYXBMJLQHEMX-DLBZAZTESA-N 411.572 1.904 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595561820 CRCPHFYVHYSRPR-KRWDZBQOSA-N 422.493 1.642 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](NC(C)=O)C1 1595569983 SQIMFNPYJDODJA-IBGZPJMESA-N 410.522 1.470 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1595824050 VZSDETTVUCNNJL-INIZCTEOSA-N 409.556 1.313 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cnnn1C1CN(C(=O)OC(C)(C)C)C1)C(=O)OC 1596243096 CYLXIUVLLFPGAL-CQSZACIVSA-N 407.471 1.698 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1596813250 GPHVQMLGXYNPFR-HKUYNNGSSA-N 424.553 1.879 30 10 HDEE C#CCC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCC1 1611043929 LNAHPRXJZDORRB-OAHLLOKOSA-N 402.472 1.686 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1611315364 WWWKIHIJTUSVEQ-BPQIPLTHSA-N 409.494 1.795 30 10 HDEE C#CC[C@]1(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1616507243 DCCWRZAXGXBHHW-LJQANCHMSA-N 413.540 1.320 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(F)(F)CO1 1619909930 OYXAQRNCQGLPMG-CYBMUJFWSA-N 400.430 1.207 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N(C)C1CC1 1620099742 MGGFISFHWRSSRI-TXDAXLQXSA-N 406.506 1.927 30 10 HDEE C[C@@]1(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCCS1(=O)=O 1625433144 INPIGALVUUWXDL-IBGZPJMESA-N 419.482 1.481 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3nn[nH]n3)ccc2F)s1 1629660410 YJQXFYRYKKZVTL-UHFFFAOYSA-N 422.467 1.713 30 10 HDEE C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1630030392 GBUSSWQVQCZYFD-JTQLQIEISA-N 423.242 1.717 30 10 HDEE C=CCn1c(SCC(=O)N[C@H](CO)COC(C)=O)nnc1-c1ccc(Cl)cc1 1632811209 WLFAIRDLWSLVQQ-OAHLLOKOSA-N 424.910 1.917 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1sccc1S(=O)(=O)N1CCOCC1 1635753023 CKIYWBSKTWJRAI-UHFFFAOYSA-N 401.554 1.349 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)CC1 1635905466 AEYGUWUHYZTRDW-UHFFFAOYSA-N 404.536 1.779 30 10 HDEE COc1cc2nc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)c(=O)n(C)c2cc1OC 1636225319 RUZSWPDUUOYHQA-HNNXBMFYSA-N 404.426 1.720 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)[C@H]1CCOC1 1637561120 HWDOCQZVPFTFGH-QXAKKESOSA-N 415.490 1.906 30 10 HDEE COC(=O)[C@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1638436863 FXYPUMQMFNSMBQ-LNWMTBOKSA-N 423.535 1.890 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)CCC(=O)NCCNC(C)=O 1638807528 DMMLQNHZZMFHCA-UHFFFAOYSA-N 412.284 1.985 30 10 HDEE Cc1nc(-c2cccnc2)nc(O)c1CCC(=O)NCc1ccc(C(=O)NO)cc1 1639591029 JFNHWLWZZOMEBR-UHFFFAOYSA-N 407.430 1.921 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1641927373 YVRXMLRBFPKQFO-IBGZPJMESA-N 416.489 1.948 30 10 HDEE C#CC[C@H](NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1642415649 WCEGYKUYLJTLNY-FIKGOQFSSA-N 402.447 1.484 30 10 HDEE CN(CCn1cccn1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1649668209 FJWHLBIZCRMJGW-QGZVFWFLSA-N 420.477 1.340 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C1 1654412455 RDFSRZGPRRSLOW-HOCLYGCPSA-N 413.503 1.485 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1 1662415844 BREACLZKGKKVGV-UHFFFAOYSA-N 409.533 1.857 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1680025024 SOCLJPWUYXDYAU-DENIHFKCSA-N 422.489 1.792 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2cnccc2C#N)CC1 1685654138 KEFPOWXTUFCDPT-HNNXBMFYSA-N 409.450 1.303 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 1686055030 GIGITSADNCVTOK-LSDHHAIUSA-N 410.515 1.612 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc2c(=O)cc[nH]c2c1 1686716519 ZQWPBHRAUMUHJB-CQSZACIVSA-N 403.446 1.610 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@H]2COCCO2)CC1 1690117627 PKUVZVHPTLJKRU-FQEVSTJZSA-N 411.506 1.514 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(N)=O)CC1 1690249743 ABENZWTVJNJNKR-ICSRJNTNSA-N 410.522 1.947 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690525580 KWNWVPNSPGGWHE-ROUUACIJSA-N 404.559 1.737 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690663064 KXYNLHRSUXRKNI-OAHLLOKOSA-N 412.494 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690715954 YOZBUOXZHAONCP-UHFFFAOYSA-N 424.571 1.340 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1690719920 VSQVLBOSFREXAT-AWEZNQCLSA-N 422.898 1.323 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)C2CCC2)nnc1[C@]1(OC(C)C)CCOC1 1690732119 WKRWSPXMNHOXRA-IBGZPJMESA-N 412.556 1.908 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1691477437 QWNVTURIHVYYDA-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1705514538 ZXMROFIXIJITFQ-UHFFFAOYSA-N 403.494 1.964 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1C 1705621703 LSSCFBUJWLAVLB-UHFFFAOYSA-N 405.462 1.763 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COc2ccccc2O1 1705627630 MIHOEZSDBBLNMS-HOTGVXAUSA-N 411.462 1.155 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2nc(C)c(C)s2)CC1 1705642446 USJMLBKNPZQBPI-UHFFFAOYSA-N 413.551 1.277 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 1705674445 JFYWGHGPUFCDRN-BBTUJRGHSA-N 419.595 1.904 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1705736234 OQCBQQNXZZEXJB-INIZCTEOSA-N 404.515 1.304 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705900321 YUPPKSIOMYLIJB-GOSISDBHSA-N 421.509 1.692 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705902734 MGBCWCPJSAVAMQ-LJQANCHMSA-N 419.507 1.164 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCc2cnn(C)n2)C1 1705927461 YYGHCQUVKFKBOS-IBGZPJMESA-N 408.510 1.807 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)N2CCN(CC)CC2)C1 1705928660 SOBHAHLSLNHFSI-VAMGGRTRSA-N 418.586 1.937 30 10 HDEE CCOCc1nnc(N(C)C[C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1710651999 AJPQPXPKWRFNQX-RAJOGRCSSA-N 418.498 1.204 30 10 HDEE COCCN(C)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1712427196 GWMOSVQLSVMXII-UHFFFAOYSA-N 413.526 1.689 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCSCC1 1712702602 XWJBGJPOTBRWMK-UHFFFAOYSA-N 421.548 1.431 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1722297085 XDZDBQHWFDPGML-OKZBNKHCSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722305653 CAUZGIAKNFOTAX-QGZVFWFLSA-N 402.543 1.913 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1722306291 QLMUVRCPZNYFLN-HFTRVMKXSA-N 415.494 1.921 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1722318547 BYVDEVFAHRIRDW-UHFFFAOYSA-N 402.524 1.149 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1722320456 ZBKSETONOIOSJS-GOSISDBHSA-N 423.521 1.406 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722322897 XJNXESCADMUYRF-CABCVRRESA-N 409.450 1.274 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1722385396 HKZAKSOYXUGHEE-HSZRJFAPSA-N 407.518 1.211 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722456709 CSZHBDSNDOTAMR-SFHVURJKSA-N 406.515 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCOC[C@H]1CCOC1 1722466438 VBRSHNNRDUIPHF-DYESRHJHSA-N 403.527 1.852 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1722498430 ADMZAIJEXJBNIP-KVSKMBFKSA-N 419.526 1.582 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722503382 CQWFZEDPZVTMJD-VYDXJSESSA-N 405.524 1.878 30 10 HDEE COCC[C@](C)(O)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1730639675 VMGOLFOQTXHESC-LEWJYISDSA-N 421.542 1.846 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCOCC1 1730764851 ZESZONGRVQJKIX-QGZVFWFLSA-N 406.531 1.607 30 10 HDEE COCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1730923451 WBLAYPPNDDEDQD-QGZVFWFLSA-N 423.477 1.727 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1731188090 BIWXZJVNHDYWAP-QZTJIDSGSA-N 410.478 1.217 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CCCO[C@H]2CCOC2)CC1 1733371844 YXEDJOZYDSQMAU-NALHQMNBSA-N 402.535 1.532 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCOC 1740548147 DNKOQBQYHCUYOV-INIZCTEOSA-N 424.505 1.796 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740550604 QUTURJKDRCJWEN-CAMPQQCRSA-N 410.503 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1740636753 BNTMTUKTROURBD-UHFFFAOYSA-N 422.514 1.366 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ncn(C)n1 1740651111 ZBWWLCSISDNZBH-UHFFFAOYSA-N 403.446 1.356 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCC(=O)N1CCCCCC1 1740652689 KCALSOWZRPYXCD-UHFFFAOYSA-N 405.506 1.991 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COC)C1 1740738076 CWCMJZDQSHBMMR-NWDGAFQWSA-N 422.349 1.270 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCOCC2)CC1 1740828707 USJPMTBUKSRRJQ-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCOC2)CC1 1740835376 FIAVTKJQCPPMCV-NHCUHLMSSA-N 406.527 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(CN2CCOCC2)CC1 1740955560 XUZCRHSTXGZRTJ-UHFFFAOYSA-N 424.549 1.796 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CO)CC1 1741876179 CLWONMDBZTXWBA-SFHVURJKSA-N 424.549 1.994 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1742906322 GYTMHKRWOVYASX-KRWDZBQOSA-N 423.521 1.206 30 10 HDEE CCn1cc(CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1746349810 LRUBRDAWIKCULG-CZIZESTLSA-N 424.509 1.925 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)C1 1748736034 WKTNAVGSEVKNFN-UHFFFAOYSA-N 401.492 1.040 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1748765355 DKUFEANXRIVXIK-UHFFFAOYSA-N 404.478 1.725 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(OCC(N)=O)c1 1748834395 MHFDAJLKDCPDQA-UHFFFAOYSA-N 403.442 1.832 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1748979859 PYIAFIAASVYTCF-UHFFFAOYSA-N 400.490 1.548 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)CC1 1748990454 XALGFBPBIXGTHO-QGZVFWFLSA-N 417.510 1.123 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)COCCO1 1749051913 QNUAQVDTOQHLRN-NHCUHLMSSA-N 403.527 1.994 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCC(OCC(N)=O)CC1 1749135673 HMOVWSNGHPQFBI-JXFKEZNVSA-N 403.527 1.683 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCOCCS(C)(=O)=O)CC1 1749336780 TYWLGHXBXKPPJF-UHFFFAOYSA-N 406.512 1.199 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1749516693 CKQXXHDODMFHBT-IBGZPJMESA-N 402.543 1.839 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1749627082 BMWJSIWZPJWMRO-RLLQIKCJSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](CC)C1 1749680852 SXCYJJANZKTCIH-OAHLLOKOSA-N 403.458 1.914 30 10 HDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1CC1(C(N)=O)CCOCC1 1749829884 AEBPDULKOZTNBP-UHFFFAOYSA-N 404.515 1.584 30 10 HDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1750527538 DESKVLPBEQXRME-KRWDZBQOSA-N 415.542 1.470 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)n1 1751853361 FQMBAIMWKAXHID-OAHLLOKOSA-N 409.441 1.540 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760185153 QPKWNRHEVQGZJE-SFHVURJKSA-N 402.520 1.997 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760187473 JWRSQTLOPUDGIP-FUHIMQAGSA-N 424.567 1.698 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sc(C)nc1C 1760195008 VDXZXOGSQQOFJX-CYBMUJFWSA-N 406.537 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNC(C)=O 1760200903 WYMICCAPVHDQFQ-UHFFFAOYSA-N 401.474 1.730 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1760224591 QHEMLRCGXYGASV-UHFFFAOYSA-N 414.554 1.619 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nnc(CC)s2)CC1 1760259054 GDLOSIQWUGAFGG-HNNXBMFYSA-N 401.540 1.737 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)C(=O)NCC)CC1 1760259801 QFNBGKKMMFICMI-KRWDZBQOSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnn(C)c2)CC1 1760263551 GJQJOZAJZZECHO-RTBURBONSA-N 411.554 1.734 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760316492 SQZCBUWXDNDDEG-IEBWSBKVSA-N 401.515 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1760325232 PWFKSMHZUAOUIC-UWJYYQICSA-N 422.489 1.646 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1760354666 JJVNLSMOGPMSLF-SFHVURJKSA-N 411.510 1.978 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)C(=O)C1 1760525392 DJCDDYVIQFNRTA-UHFFFAOYSA-N 400.508 1.044 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1764917105 CTUNABRMGJWCLO-UHFFFAOYSA-N 416.489 1.581 30 10 HDEE CSC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1772790795 XDISVYDWTNASHX-TYNCELHUSA-N 416.455 1.648 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)CC1=O 1849320661 HRNYNUSLDISIQW-MRXNPFEDSA-N 412.465 1.809 30 10 HDEE COc1ccc2nc(N3CC(C(=O)NCC#CCN4CCOCC4)C3)sc2c1 1850340008 AWKYRDUMEQAZKL-UHFFFAOYSA-N 400.504 1.193 30 10 HDEE Cc1[nH]nc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1Br 1851599006 ZWWGEGKACGBAOK-UHFFFAOYSA-N 419.283 1.726 30 10 HDEE Cn1ccnc1CCC(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1852161530 WIEKOVWTYJCBBY-UHFFFAOYSA-N 408.915 1.700 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccn3ccnc23)CCN1CC(=O)c1ccc(C#N)cc1 1855114111 UKQTUQDSNYSLQN-OAHLLOKOSA-N 401.426 1.762 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCSc4ncccc43)C2=O)CC1=O 1855349083 GCKZJABRJHPSGO-RDJZCZTQSA-N 414.531 1.936 30 10 HDEE Cc1nc([C@H]2CC(F)(F)CN2[C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1855748735 GBMNVRPVVCSNBZ-HUUCEWRRSA-N 416.388 1.858 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)C1 1855879345 KXYHRMGXDFEHRY-SJLPKXTDSA-N 412.490 1.255 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1856095745 MNZHGOPODBHCTQ-KRWDZBQOSA-N 419.547 1.968 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@@H](CN3CC(Cn4cncn4)C3)CC2=O)c1 1856265821 GPRLUFNPKKNBIG-OAHLLOKOSA-N 412.881 1.618 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1856283152 RCODFVGPPJZJTO-LSDHHAIUSA-N 409.483 1.741 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCCC[C@H](N(C)CCC#N)C2=O)cc1 1856389217 NLQJXGNZRXTGHF-SFHVURJKSA-N 421.519 1.612 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](Oc4ccc(Cl)cn4)C3)C2=O)ccn1 1856458215 FMLMYCBHMQIDLF-DLBZAZTESA-N 411.849 1.896 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)nn1 1856458474 JNJWYKNYCHMJRF-KRWDZBQOSA-N 406.446 1.373 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)C2=O)c1 1856463576 IUOCQBFTYGSWIR-UXHICEINSA-N 423.494 1.848 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N(C)CCC#N)C1=O)n1nc(-c2ccc(F)cc2)ccc1=O 1856488581 IWPGHSNMQVZQLQ-KDOFPFPSSA-N 411.437 1.583 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3CCCC3=O)C(=O)C23CCCC3)c(F)c1 1856515770 NJFUONHTUQTZTI-UHFFFAOYSA-N 412.465 1.803 30 10 HDEE COc1ccc(OCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)c(OC)n1 1857367545 FYKHEYPTXJPKKG-UHFFFAOYSA-N 410.430 1.220 30 10 HDEE COc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)c1ccccc1C#N 1858073792 JUVJKNHQGQOWPL-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(CCO)CC1 1870580186 JDNWIWWRAHCVCH-UHFFFAOYSA-N 421.538 1.112 30 10 HDEE N#Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1 1871337581 PJWRAVPAPCCTRI-UHFFFAOYSA-N 401.444 1.597 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@@H]2CCCN2S(C)(=O)=O)c1 1890713494 HJYYCFZFVCUICA-IBGZPJMESA-N 407.536 1.455 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)Cn2cnc3ncccc3c2=O)c1 1891390078 AGEVBALEILBJGQ-UHFFFAOYSA-N 419.485 1.836 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C#N)C1 2174771507 NQAIGNSGRJGLGJ-RXBISOJRSA-N 422.573 1.869 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174785205 WJZYLNFVHAKTEW-CKEIUWERSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174785365 YHEBTKZAFWBENT-KDYLLFBJSA-N 404.508 1.699 30 10 HDEE CCOCCCS(=O)(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186628515 QKFDDCIIYSTCOY-LBPRGKRZSA-N 404.363 1.849 30 10 HDEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@H](S(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195274499 ZOGCMBMXZJSXSO-UHQDVWGKSA-N 405.513 1.875 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCc2ccc(S(N)(=O)=O)s2)C1 2197747311 CTUYHXYYWXBETA-UHFFFAOYSA-N 415.537 1.668 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)cc1Cl 2205556914 ZQVLTHBJRPBYLY-KRWDZBQOSA-N 404.923 1.964 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245259457 NHFZIBGCZLKVQD-FEAKQIBJSA-N 409.336 1.841 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(CCC(N)=O)Cc1ccccc1 2247858891 QTYVTDGIZZNOER-UHFFFAOYSA-N 411.311 1.842 30 10 HDEE C[C@H]1[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247917939 MOXLXTIZHIMNMX-JSGCOSHPSA-N 420.319 1.837 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2255613203 BDTRXKINFYPMTM-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCc3nccn3Cc3ccccc3)nc2)OC1(C)C 2255812622 OFIXRXBXJFBGRC-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE Cn1nc(C(=O)N2CC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267182745 IWZZNHFZAXJBTD-NSHDSACASA-N 411.695 1.208 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270523407 WEQDKISYUDZLRS-SFHVURJKSA-N 416.455 1.467 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)c2Cl)OC1(C)C 2281948602 YGIIGGAVVQKJIC-JTQLQIEISA-N 419.761 1.865 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1C1OCCO1 2282007305 BLLVUGGYPINOSX-AWEZNQCLSA-N 405.304 1.395 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282015220 VYUQWKNQCXGOMH-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3=CCNCC3)cc2Cl)OC1(C)C 2282305079 SXQTWMAWOJRQAJ-UHFFFAOYSA-N 418.777 1.899 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H](O)C1 2282305431 YRWKTQRIBHQVLU-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)[C@H](C)C1 2282321831 BWRINNDTPNLSRN-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC(C)[C@H](N)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282490043 INYLXLZAXQNAPJ-OAHLLOKOSA-N 402.753 1.901 30 10 HDEE COC[C@@H](CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282492829 SYVYQWYENLYXMN-GFCCVEGCSA-N 405.347 1.329 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(C)(CN)C2)c1B1OC(C)(C)C(C)(C)O1 2282497486 QIFBJMZVMUUHNF-UHFFFAOYSA-N 400.375 1.633 30 10 HDEE CCN(CC(C)(C)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502258 IOYGWEQHCDKQPN-UHFFFAOYSA-N 404.363 1.365 30 10 HDEE CN([C@@]1(C)CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282508730 AIWKLZSNWYUSJO-KRWDZBQOSA-N 401.359 1.988 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282510922 GOUBHTUDPBNXQP-ZDUSSCGKSA-N 401.721 1.855 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282610822 BXDCBYNXKRFCIY-QWRGUYRKSA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)c2)OC1(C)C 2282618801 OSBZMUYEYHAHHJ-CYBMUJFWSA-N 417.383 1.607 30 10 HDEE Cc1cc(S(=O)(=O)N[C@](C)(CO)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282829800 KKYYRWGJFVUZTG-OAHLLOKOSA-N 411.301 1.650 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCCC34CNC4)cc2Cl)OC1(C)C 2282830261 QZXNAWOQVTTYRT-UHFFFAOYSA-N 418.777 1.827 30 10 HDEE CCN([C@H]1CCCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856019 MMHAXSKTGFIHHA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CCS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282856043 MUTBJKTUBHWEPC-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282867635 BLWMIAZIHLFTRN-VDBVYFBLSA-N 402.347 1.120 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H](CO)C2CC2)OC1(C)C 2282875108 KOXRMQHGSMLYAF-AWEZNQCLSA-N 401.721 1.688 30 10 HDEE CN([C@H]1CCNC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282882855 RQRUHQCEKMXQQU-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](C(=O)O)C3)cc2Cl)OC1(C)C 2284394312 WYCJJAPHIONKEV-SECBINFHSA-N 421.733 1.796 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284396002 RWUBJNSWNBLMOJ-NSHDSACASA-N 401.315 1.512 30 10 HDEE CC(C)(CCC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284404042 VPKZRJYLJJFWPA-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3COC[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284417950 RZMQSLQLHSJJFR-WPRPVWTQSA-N 401.677 1.530 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2319403690 NQSFDHZJOVZWPP-YLJYHZDGSA-N 406.504 1.058 30 10 HDEE N#CCCN1CCN([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2345057875 HWKNBPKCOUNYJY-OAQYLSRUSA-N 400.479 1.774 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N[C@@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2355478710 YVOUSLLLFMFUOE-XHSDSOJGSA-N 400.545 1.539 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@H]2OCCC[C@@H]21 2365178755 LHJYJJHYQWVCOJ-NRTGNBEESA-N 401.525 1.636 30 10 HDEE CCN[C@@H](C#Cc1cnn(CCOC)c1)C1(O)CN(C(=O)OCc2ccccc2)C1 2366098153 CECMYMQDTWIDJJ-FQEVSTJZSA-N 412.490 1.243 30 10 HDEE CC[C@@](C#CC1(S(C)(=O)=O)CC1)(CNC(=O)OC(C)(C)C)OCCC(=O)O 2367799105 XMRGOIJGSXHYMB-QGZVFWFLSA-N 403.497 1.732 30 10 HDEE COC1([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367799709 CMDFCJBVPIFGCT-GJZGRUSLSA-N 401.525 1.780 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)c1cc(I)nn1C 2367802550 BXEGPHCFMRNNSO-SNVBAGLBSA-N 407.277 1.256 30 10 HDEE N#C[C@@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(F)cc1F 111220432 SMEYYQODLFHSNJ-SJORKVTESA-N 401.348 1.905 30 10 HDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)N(C)C[C@@H](C)C#N)CC2)c(OC)c1 409571453 VOTHRKUABJNAEH-AWEZNQCLSA-N 424.523 1.234 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CCNC(=O)[C@@H](C)n1cnc(C#N)n1 409629474 HYMPLJZETYAMIC-LLVKDONJSA-N 405.256 1.927 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2)n(C)n1 436294025 PFEPJLKBXPPSLK-GOSISDBHSA-N 420.521 1.978 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(CC#Cc3ccccc3Cl)CC2)C[C@H](C)O1 441162718 CBKBKOJMHKGPJY-IRXDYDNUSA-N 411.955 1.663 30 10 HDEE CCCS(=O)(=O)N1CCC(NC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462093339 PESLDTYWISQQMU-UHFFFAOYSA-N 417.495 1.465 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c2c(nn1C)CCCC2 462642677 QECLUKUHJIFEIH-CYBMUJFWSA-N 401.492 1.154 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cn(-c2ccccc2)nn1 472884729 HEIYWMPSINSPDQ-HNNXBMFYSA-N 424.486 1.950 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)cc1 473689152 IXERXCGCYBOPRL-UHFFFAOYSA-N 404.474 1.235 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 474695526 GQSLZUZMMPBHQS-OAQYLSRUSA-N 410.474 1.665 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 481065624 ZUBIQSAOMXDTEH-HXUWFJFHSA-N 403.479 1.754 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCC(C(=O)OC)CC3)cc2C1=O 481100278 GNDSWOJBDFNYOJ-UHFFFAOYSA-N 413.474 1.474 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 481796511 OKDBXLDXTQQYRQ-SNVBAGLBSA-N 419.513 1.866 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)c1ncnc2[nH]cnc12 499394309 SRHDMPQUFCBNJJ-LBPRGKRZSA-N 400.240 1.933 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)Nc1nc(C#N)c(C#N)[nH]1 506846959 MNUWLPLGVHXHKJ-UHFFFAOYSA-N 408.237 1.880 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)[C@@H]1n1cccn1 518248691 YXZHVWVFUIIXRZ-NSHGMRRFSA-N 407.478 1.882 30 10 HDEE CCCn1c(Cn2ccnc2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 534803637 XQZAUTXLCAJCRU-UHFFFAOYSA-N 414.491 1.584 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546169735 JJZKUDCLFODZHO-UHFFFAOYSA-N 414.487 1.336 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)c1 547453749 SZBUYHQFUGMHHO-KRWDZBQOSA-N 418.450 1.187 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1ccccc1Cn1ccnc1 548042599 INVGTPSJPCYEKS-UHFFFAOYSA-N 413.463 1.164 30 10 HDEE C[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1 561926280 ZIKYQAIPOZFEQR-XJKSGUPXSA-N 404.492 1.319 30 10 HDEE COc1cccc(CSC[C@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)C(=O)O)c1 562373661 SWELNQKRAUHSHG-KRWDZBQOSA-N 421.500 1.935 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 576544025 SMXFGOLZKDUZMD-UHFFFAOYSA-N 400.870 1.849 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)NCC(=O)NCC#N)[C@@H]1c1ccc(Cl)c(F)c1 578461186 SUIVBZGRUGVPGK-YOEHRIQHSA-N 409.849 1.468 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 610403227 YZZRIRYYTNTXIM-AWEZNQCLSA-N 403.449 1.807 30 10 HDEE Cn1cc(Br)cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1=O 610664100 BDGXAVTWNHLYAV-UHFFFAOYSA-N 407.199 1.413 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 610798452 HZMCQFULEVYKRH-HNNXBMFYSA-N 420.535 1.332 30 10 HDEE COc1ccc(CCN2C(=O)C[C@H](N3CCN(C4CC4)[C@@H](C#N)C3)C2=O)cc1OC 732670029 UVVRDHZVSAAWCQ-ROUUACIJSA-N 412.490 1.046 30 10 HDEE CC(=O)N[C@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1F 741689127 AIOWUGWSPNQEAE-AMGRQBIBSA-N 406.389 1.175 30 10 HDEE COc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)cc1C#N 746873235 UBEWQAJETFUZLC-UHFFFAOYSA-N 405.432 1.111 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 752586353 DDSPOJLIOXJTPB-GHMZBOCLSA-N 407.473 1.690 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@H]1CCS(=O)(=O)C1 755628868 WSMSWTAEXYCPIV-HNNXBMFYSA-N 422.304 1.897 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CCN1C1CC1 761959413 HGIRAVTWNDBZBO-SFHVURJKSA-N 404.474 1.887 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n(-c2ccccc2C)n1 761965570 QENZJZCXYCPBCG-VHEBQXMUSA-N 422.445 1.070 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 762334243 RWLLKWIWJWAZSA-INIZCTEOSA-N 403.460 1.269 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 765898725 JPMXCXLOEWPUND-SUMWQHHRSA-N 403.460 1.083 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1 766852178 PJGIXWAMURGPEQ-IEBWSBKVSA-N 418.519 1.613 30 10 HDEE N#Cc1ccc2ncc(CNC[C@@H]3CN(C(=O)c4ccccc4)[C@H]4CCN3C4)n2c1 767157672 VJJOBAISXNAWNX-PZJWPPBQSA-N 400.486 1.894 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)O[C@H](C(=O)OC)c3ccc(C#N)cc3)ccnc12 769850079 CGQFMIJBHODZPJ-INIZCTEOSA-N 408.370 1.849 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780254234 BQXRPVHCRRODJK-LEWJYISDSA-N 417.462 1.670 30 10 HDEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCc1ccccn1 782705356 PINWHCWFIBJSSQ-UHFFFAOYSA-N 419.416 1.724 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2cnn(C)c2SC)cc1OC 791771122 JQSZQBBGQZERGM-CYBMUJFWSA-N 402.476 1.841 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncccc1O 792613810 SRHMRCRDKVPLEF-AWEZNQCLSA-N 402.476 1.701 30 10 HDEE Cc1cc(C(=O)NS(=O)(=O)CC2(C#N)CC2)ccc1NC(=O)C1=S=CC=C1 793200944 GPFCCNGECUBGHY-UHFFFAOYSA-N 403.485 1.575 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 796965988 FFPPBSJULJVJPV-KGLIPLIRSA-N 412.487 1.498 30 10 HDEE CCOC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 800559617 GLPNTTUJBRTVKK-ZCXUNETKSA-N 402.407 1.276 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 803647792 SBYCPPGLSQNSJI-HNNXBMFYSA-N 420.535 1.413 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2=O)n(C)n1 805588142 PODNKHRBIDMNOK-CRAIPNDOSA-N 411.437 1.914 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCc2cnn(C)n2)C1=O 814707080 JBJQWHDVEMNUMT-INIZCTEOSA-N 411.491 1.387 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2cc3ccccc3n(C)c2=O)cc1 816169330 PMCOWRLKFHCRMX-UHFFFAOYSA-N 410.451 1.807 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 916775331 QHORNSUCZJIKQF-UHFFFAOYSA-N 408.439 1.474 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 1124239465 NGHNKJHFRNPCHG-GOSISDBHSA-N 409.508 1.425 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1130753650 QHEHBADGILFCPE-SZNDQCEHSA-N 421.461 1.637 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](COC)C2CCOCC2)ccc1F 1131087871 OYTPTULEJYNPBE-INIZCTEOSA-N 400.472 1.461 30 10 HDEE C#C[C@@H](NC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO)c1ccc(F)cc1 1141325423 LFJYQSXCHKQKOG-QGZVFWFLSA-N 409.421 1.351 30 10 HDEE CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1141877682 AJVKFTSHHQCMGP-HEQHKCQXSA-N 423.539 1.911 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](Cc1ccccc1)c1ncco1)c1cc[nH]n1 1143410733 ZISBBUVYOCOHDA-MRXNPFEDSA-N 411.418 1.782 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN2CC(F)F)s1 1147459379 KDEJDRIYVSDRKA-GFCCVEGCSA-N 407.508 1.601 30 10 HDEE C=C[C@H](O)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1156813168 YHDFPBMQSXAFRS-JSGCOSHPSA-N 403.298 1.265 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1162496977 XQYYLIDWOKVGIT-UWWQBHOKSA-N 419.503 1.195 30 10 HDEE CC(C)(C)n1nnc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n1 1165558836 KQYBAJDHHXHVFJ-UHFFFAOYSA-N 405.466 1.652 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCN2C2CCCCC2)cc1S(=O)(=O)NCC#N 1166986479 DYSCJJPDGBKESK-GOSISDBHSA-N 404.536 1.934 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCC#C[C@H]1CCCCO1 1180363271 RVJNNTSANCAJEK-SJORKVTESA-N 407.511 1.581 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2-c2csc(C)n2)CC1 1217346724 MUDKQMUWANTHLX-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2)[nH]n1 1234608460 OCSXBXCTMPCPEC-UHFFFAOYSA-N 424.461 1.962 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCCN1CCN(CC)CC1 1286271008 PTXXZDYXWNCSMV-SFHVURJKSA-N 403.575 1.292 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCCN(C(C)=O)C1 1286369351 NBNVZCIYBJTAST-INIZCTEOSA-N 419.489 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCOC1 1286458907 GLKKOAITUCBPEN-JOCHJYFZSA-N 422.489 1.368 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1F 1286464506 CBCNEXXQOCYCDM-NVXWUHKLSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccnc2OC)CC1 1286470784 CBVCGVQJMBPKQB-QGZVFWFLSA-N 414.510 1.209 30 10 HDEE C=C(Br)Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286536063 MZJRBULKDOXGAR-LBPRGKRZSA-N 411.304 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1286821431 KXAKZJAZLJJOQK-APWZRJJASA-N 412.556 1.462 30 10 HDEE C=CC1(CC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CN(C(=O)OC(C)(C)C)C1 1292635938 OVIFYUZFGPMUJO-KRWDZBQOSA-N 422.570 1.859 30 10 HDEE C=CC(=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1293138489 WQYZSMFSICGSEI-INIZCTEOSA-N 405.296 1.802 30 10 HDEE CCc1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1293174163 XQHBLMQNCIQVOD-TWIYCUQVSA-N 400.483 1.086 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1300300222 XRTCXYNSCRIPDV-HNNXBMFYSA-N 415.519 1.946 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc2c(c1)OCO2 1300381080 NQOYEHNEEOYTSY-AWEZNQCLSA-N 419.507 1.667 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300488383 RHXYHUBNLMXHMF-CVEARBPZSA-N 420.510 1.993 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1300505993 LHUAJLVHMLAQBA-KZNAEPCWSA-N 421.567 1.098 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300602420 QTMKKROXUDYINQ-AWEZNQCLSA-N 418.523 1.355 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC2(OCCOC)CCOCC2)CC1 1300683216 XMJOVPRPLDDCPM-UHFFFAOYSA-N 405.543 1.369 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300712318 OXGNXMBFCGVJSS-NVXWUHKLSA-N 414.554 1.672 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1301297045 WKNSEPDMMVTVCM-OAHLLOKOSA-N 418.523 1.150 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1301314296 SGGLQYQXSIKNAZ-HOCLYGCPSA-N 424.571 1.302 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)cc1 1301333411 GTDUUMGCRYHKDH-IBGZPJMESA-N 413.499 1.773 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC(OCC(N)=O)CC1 1301428979 MQQZVLKYVDDJJU-UHFFFAOYSA-N 412.494 1.804 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301477793 FKCSYUUYJQQMOH-DOTOQJQBSA-N 402.543 1.836 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(C)(=O)=O)C1 1301565891 LIHPLBVXXQAXPA-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1301596517 QSSJULZBHUWCCJ-UHFFFAOYSA-N 406.556 1.396 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNc1ccc(S(N)(=O)=O)cc1F)C(=O)OCC 1302418606 IMDRJLDSTHSBHU-ZDUSSCGKSA-N 407.851 1.076 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OC 1302430007 XLFFTKOQRMODNR-GOSISDBHSA-N 408.520 1.858 30 10 HDEE N#Cc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(CC(F)F)CC2)o1 1302992108 SQIHRRAZTRHMOC-UHFFFAOYSA-N 400.393 1.635 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)cc21 1304216759 SMZGCMMWIZXUHR-HXUWFJFHSA-N 411.462 1.776 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 1309387318 GFNFZUIFZDYFNX-QGZVFWFLSA-N 423.560 1.867 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 1313424675 GXBOOSRFCARGQO-MJGOQNOKSA-N 421.586 1.665 30 10 HDEE CN(C)C1(Cn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1314657400 BLQITZBGHXMZMP-FQEVSTJZSA-N 424.549 1.903 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)c1 1351039802 WYWUTBXNOBZIFS-UHFFFAOYSA-N 412.450 1.153 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](OCC)[C@H]2CCOC2)c1 1351602143 RPOGTVQZGQUZCO-RXVVDRJESA-N 400.475 1.301 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)NCC)CCC1 1358900436 KILNIMKMVXGKLZ-IKGGRYGDSA-N 403.527 1.766 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1359123858 SXXKDDZHISERFY-IBGZPJMESA-N 416.507 1.877 30 10 HDEE COC(=O)c1cn([C@@H]2CCN(C(=O)c3cccc(C#N)c3Br)C2)nn1 1361289338 UCZNAWYIAGEFPA-LLVKDONJSA-N 404.224 1.786 30 10 HDEE CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C(=O)OC 1439559597 YHKRABZUUVFTOM-HNNXBMFYSA-N 400.435 1.563 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1449900561 OHIGNAYZQQXQDD-CABCVRRESA-N 417.325 1.967 30 10 HDEE C[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1450472744 YZYVXSOBPQMKIC-BHYGNILZSA-N 418.494 1.797 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1452945610 CKTLSMZAVFENAN-UXHICEINSA-N 413.499 1.903 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@@H]2CCOC2)CC1 1460859061 OCIZAHSCPCXXSY-IPMKNSEASA-N 418.563 1.584 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)nn1C 1461174566 QJOUITQXNBHLFH-UHFFFAOYSA-N 407.427 1.013 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1)C(=O)OC 1464255827 NCVYKQBDFJMHKW-HNNXBMFYSA-N 422.500 1.764 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 1464492617 AMFAHQYFNCDLAZ-LLVKDONJSA-N 402.270 1.733 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 1470758516 OPYWBUZLZCSLNJ-HNNXBMFYSA-N 401.463 1.787 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1471777426 NXSUSZAEQZDPJQ-CQSZACIVSA-N 418.512 1.036 30 10 HDEE C[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN(C(=O)c2ccccc2)C1 1472369639 HEOKFFZCGUSCAJ-QFIPXVFZSA-N 421.457 1.146 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccnc2-c2ccc(C)s2)CC1 1476433393 TUKNXJRSHKKWBE-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(C)=O)cc1 1504314995 UTSKRWUMRQTPLE-SFHVURJKSA-N 414.466 1.121 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1505322778 UAVCBNDHYTZANO-MXLIYFDZSA-N 419.445 1.200 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1507583088 NVKWMFRATNLZKY-ZIAGYGMSSA-N 421.523 1.677 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(CC)CC)no1 1507600626 IDOXZAPBTJBEAK-CYBMUJFWSA-N 408.528 1.898 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCO[C@@H](C)C1 1507659825 GITFHHVLZFGYQF-OKZBNKHCSA-N 421.567 1.556 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1cccc(C(=O)NC)c1 1507709554 YPEPTMJAMXBPGX-UHFFFAOYSA-N 404.474 1.834 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)cn2)CC1 1507733431 YMYIPGKCNSHJJI-LPHOPBHVSA-N 414.485 1.340 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(OC)n2)CC1 1507833375 NVUOGEMYIPOIDO-UHFFFAOYSA-N 412.498 1.102 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507885036 QAPBVKMABQCWDD-HUUCEWRRSA-N 407.540 1.251 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1508142171 QZZWBJLGZRTNHN-OIISXLGYSA-N 410.540 1.387 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1513789163 BIOPBYLQWOECLN-KRWDZBQOSA-N 402.524 1.630 30 10 HDEE COCC1(C)CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1518778120 ZAGXWYGODHDFBU-ZPHPHTNESA-N 414.510 1.935 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 1520860588 BJVKIXYBFDVEMW-HNNXBMFYSA-N 406.504 1.706 30 10 HDEE C#C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccccc1 1530132418 BNCVYMIRNGTCCP-KRWDZBQOSA-N 405.497 1.609 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1531949817 FLMCRBZQLBKRRI-RYGJVYDSSA-N 403.438 1.969 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)C1CCOCC1 1532934203 MYEHENQFENLFIZ-ICSRJNTNSA-N 404.532 1.940 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl 1534591271 GJKYFJRABDQWBW-UHFFFAOYSA-N 400.305 1.728 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C(=O)OC(C)(C)C)c2ccc(F)cc2)C1=O 1535836308 UVQMQTQKOBVHPA-HNNXBMFYSA-N 419.409 1.302 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21)C1CCN(C(=O)[C@@]23CCC[C@@H]2C3)CC1 1536641248 GAPOKNIGRDCGAW-YGACDOIFSA-N 400.519 1.681 30 10 HDEE COc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(OC)c1OC(F)F 1537006668 VYVYUMCNIWXANI-APPDUMDISA-N 416.402 1.316 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CC(=O)N(C)C 1539162711 XMUQTEBIJAMMHL-UHFFFAOYSA-N 406.284 1.874 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539634625 CASSMAHVTMPZCS-MAUKXSAKSA-N 411.572 1.682 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cccn2)C1 1539778474 BFYZARSPFBDQKW-CVEARBPZSA-N 410.906 1.857 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540005626 MUDMIGQEFBJUIL-GOSISDBHSA-N 403.527 1.823 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2)C1CC1 1540095867 YGABYIDZTDKIBH-CABCVRRESA-N 409.556 1.860 30 10 HDEE C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cccc(C#CCO)c1 1540244947 NKTPTRJXONKQGK-INIZCTEOSA-N 405.454 1.866 30 10 HDEE COCc1nn(C)cc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540747199 SOKKQBXJLVUJJY-UHFFFAOYSA-N 411.441 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)OC)C1 1540867788 IACMYUSXBMTWEH-AWEZNQCLSA-N 401.442 1.776 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1540919725 GBWYSHKWGFPOOS-UHFFFAOYSA-N 415.567 1.870 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1543225547 NAHPOKRHHAAYCI-UHFFFAOYSA-N 420.878 1.767 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3ccccc3C#N)CC2)COC1 1545026116 UDHVGJVMIUNFEH-UHFFFAOYSA-N 400.479 1.891 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2nc(C3CCOCC3)n[nH]2)[C@H](C#N)C1 1545289896 OGSWRYIOOWKLKC-CQSZACIVSA-N 404.471 1.213 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCOCC(F)F)CCOC1 1547891051 ADHRPSAZZVEMEH-IRXDYDNUSA-N 403.405 1.654 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1555280565 KOICZQDAULQXGE-FOIQADDNSA-N 416.457 1.415 30 10 HDEE COCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1555493746 OOWRCXCQFPIBDA-INIZCTEOSA-N 419.493 1.753 30 10 HDEE N#Cc1cc(CNC(=O)CNC(=O)c2ccccc2I)ccn1 1556464191 MQVRJQMRZCMIEA-UHFFFAOYSA-N 420.210 1.604 30 10 HDEE C#CCN(CC(=O)N[C@@H](CO)c1nc(-c2ccccc2)no1)C(=O)OC(C)(C)C 1556547416 FTTKOGIZHQZPNR-HNNXBMFYSA-N 400.435 1.757 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(S[C@@H]4CCOC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1558510940 IMARYIFEUILMDC-JOQOYGCGSA-N 406.485 1.105 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCOCC2)cc1 1562235478 FRQGXPLVHORXMM-UHFFFAOYSA-N 402.495 1.605 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)CC1CCCC1 1574523542 YCFWWADEKWPSOD-QQXKLLMISA-N 403.523 1.522 30 10 HDEE C=CCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1C(F)(F)F 1574694438 ZOEKCCMFQCPDFA-MRIZRFMCSA-N 402.413 1.508 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@](C)(C#N)C1 1585431816 LZCDMFHVAGAEPC-LRDDRELGSA-N 415.309 2.000 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCOC[C@@H]2OC)c1 1587692645 HMZQIFAHZXWFGE-HKUYNNGSSA-N 411.506 1.948 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588030411 URDKAQHKMSRNHT-BDXSIMOUSA-N 408.568 1.969 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)c2ccco2)CC1 1588791496 WYNSZMFEUYZSKQ-UHFFFAOYSA-N 404.474 1.723 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)NC(C)C 1589514526 GZBIDKJLNIWQIB-QAPCUYQASA-N 401.515 1.621 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC(C)(C)C2)C1 1595713640 CHQLFYYMNUYKKU-GOSISDBHSA-N 415.542 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C#N)C1 1595773104 QHVQJBVQYFQAAP-SFHVURJKSA-N 415.519 1.837 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1595871696 WNCQVCMKCPDRRF-UONOGXRCSA-N 413.569 1.162 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCOC)c1 1596175182 JMFAJYKOZQKHKR-SFHVURJKSA-N 408.520 1.391 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(COC)CCCCN1C(=O)OC(C)(C)C 1597216400 CAVHMDQLODQSRO-GOSISDBHSA-N 404.529 1.510 30 10 HDEE C=C(CC)CNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1597396528 VDIDWUNWIXRLPO-UHFFFAOYSA-N 405.476 1.657 30 10 HDEE CCn1cnnc1Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1615743521 ZWJXLVLLTDHTHR-HNAYVOBHSA-N 402.503 1.792 30 10 HDEE CCO[C@@H]1C[C@H](N(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1616535438 ZCJNXXKWERUQEI-VAVLMQFESA-N 402.499 1.753 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1617594479 BMXOUROTFZIOJQ-IAGOWNOFSA-N 407.478 1.010 30 10 HDEE CO[C@@]1(Cn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1619062865 MJIVJDLGUVGBHB-NHCUHLMSSA-N 419.526 1.864 30 10 HDEE CN1CCn2ncc(C(=O)NCC#Cc3ccc(C(F)(F)F)cc3)c2S1(=O)=O 1621926240 MTSWNEPKIUCLBY-UHFFFAOYSA-N 412.393 1.318 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)NCCn3cnc(C#N)n3)CCC2)CC1 1623571256 WSEZUTWMLUTRHH-UHFFFAOYSA-N 418.498 1.198 30 10 HDEE C#CCCOc1ccc(C(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1 1625964099 JDEUTUORZGKTFX-YOEHRIQHSA-N 404.488 1.672 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](O)C[C@@H]1c1ccccc1 1626291748 DTIWPBMIWXMCTP-SJLPKXTDSA-N 413.499 1.840 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)o1)S(C)(=O)=O 1628895106 LPOLPZWAKQFCBL-OAHLLOKOSA-N 417.491 1.372 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](n2cccn2)C(F)(F)F)s1 1630370445 GAAMNUVJKBGHGN-GFCCVEGCSA-N 422.454 1.871 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1631189768 HHQYTKDXJJOFOT-UHFFFAOYSA-N 410.448 1.456 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@@H]32)c1 1632268085 KGQGOHYULHJZOC-QYZOEREBSA-N 418.515 1.792 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cn2nc(C(F)F)cc2C(F)F)CC1 1632623328 AFQGSOHJDHQPGI-UHFFFAOYSA-N 403.380 1.042 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc(S)n2C2CC2)s1 1632624280 QVSUYOAYZWHEID-UHFFFAOYSA-N 413.550 1.286 30 10 HDEE C#Cc1ccc(CNC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1635421928 AQSWVCYLSDKADL-UHFFFAOYSA-N 416.459 1.696 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)CC3(CCOCC3)C2)cc1 1636465149 DKDUUDQERZGGBG-KRWDZBQOSA-N 406.504 1.768 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1637138074 FFJYRTNMIZHVMA-SFHVURJKSA-N 423.560 1.092 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1639032314 NPEBRYICVXMKMU-SOLBZPMBSA-N 419.503 1.597 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1 1640218051 BTXQWDWUFRFRED-NSISKUIASA-N 405.458 1.566 30 10 HDEE O=C(C#Cc1ccccc1)N1CCN(c2ncc(I)cn2)CC1 1642263905 NECMXBSWTBRWKX-UHFFFAOYSA-N 418.238 1.782 30 10 HDEE COC(=O)[C@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1644661804 MBIMAZPOVVSBBX-QZTJIDSGSA-N 415.490 1.934 30 10 HDEE COC(=O)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C1CCCC1 1645561872 VEVAOVCIUDNPIT-MRXNPFEDSA-N 407.492 1.649 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)cc21 1645807022 PBQNKVWDMFUENS-ZDUSSCGKSA-N 416.507 1.878 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N 1648432495 ILQYQFOTDRRJPD-IUODEOHRSA-N 408.478 1.967 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N 1648432497 ILQYQFOTDRRJPD-WFASDCNBSA-N 408.478 1.967 30 10 HDEE Cn1c(N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@H]3C2(C)C)c(C#N)c(=O)n(C)c1=O 1652097918 CYFOKODARDAPNJ-BPLDGKMQSA-N 417.510 1.792 30 10 HDEE O=C1NC(=O)[C@@H](CCC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1653036220 HTISMWLNZOAFHO-DSYKOEDSSA-N 423.260 1.604 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1653186263 MBCUNZOTWHAWSG-CHWSQXEVSA-N 417.491 1.513 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)c1 1654943906 JUINSAXUEGXTDW-UHFFFAOYSA-N 400.414 1.386 30 10 HDEE C#Cc1cccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)c1 1666472967 FFPIHONAXGXFSR-SJORKVTESA-N 419.503 1.918 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1 1669291195 MSQWSMCLMWPRNO-UHFFFAOYSA-N 414.483 1.650 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)c(C#N)cn1CCOC 1670537191 DGJJGWHWLSQZKU-LSDHHAIUSA-N 417.466 1.458 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)C1 1672687741 OKJQCDSXDDYALQ-HNNXBMFYSA-N 423.439 1.861 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCn3ncc(I)c3C2)C1 1676035192 GNGTVCDPCULFEZ-LBPRGKRZSA-N 413.263 1.111 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)Cc1cccc(C#N)c1)CCS2(=O)=O 1676627688 ZMXDGUPZCHHYRW-GNZRSQJKSA-N 419.503 1.599 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1678663764 GKHAQXYQAXGTPB-SJORKVTESA-N 403.479 1.951 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1680958195 RIGYWYCPOKHBOT-BZUAXINKSA-N 423.514 1.120 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](CC)CNS(C)(=O)=O)c1ccc(Br)cc1 1681242101 XQUZEONAWBKWPM-KBPBESRZSA-N 402.314 1.750 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(C)C 1681724791 RWGLKCAAFHEYPD-QGZVFWFLSA-N 421.542 1.644 30 10 HDEE CO[C@@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CCOC1 1683932530 ZXPYUDYUJBNTHM-KXBFYZLASA-N 412.494 1.609 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C1 1684077670 IBXHLXLUIHOVOK-MRXNPFEDSA-N 410.565 1.298 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ncc(Br)cn2)CC1 1687785346 BCHXNWGGRLKILE-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1689851896 XEYTUQZOJKNTRD-GOEBONIOSA-N 402.524 1.147 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1689892582 IORAZJVWWBKPEY-BBWFWOEESA-N 421.567 1.507 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1689910300 CGPVVGLSPAVRBE-UHFFFAOYSA-N 411.466 1.617 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(C(=O)NCC)CCC1 1690025443 QUIUODNVQOBWMQ-UHFFFAOYSA-N 407.522 1.519 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCc2nccn2C1 1690029608 FAVSLBYGDNSINM-HBFSDRIKSA-N 408.506 1.534 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690428022 ASLXJVZKWAVINV-MRXNPFEDSA-N 424.509 1.810 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1690622809 YXMCGWBNMRHVFR-INIZCTEOSA-N 408.528 1.084 30 10 HDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCC(=O)N(C)C)CCO2 1693878668 GJPHNRQDICHXLA-AOMKIAJQSA-N 424.505 1.679 30 10 HDEE CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1696132949 BQKSJZBWYSFSRX-SJORKVTESA-N 413.478 1.966 30 10 HDEE CN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCSC1 1696640111 OBJKCIVHRLNVCQ-OFXSGMSSSA-N 418.523 1.250 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1CC1(O)CCOCC1 1698063271 SPNJOZWLXAFSFW-UHFFFAOYSA-N 405.524 1.838 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(N)=O)CC1 1705515226 XJQDGPGMHZKGTO-UHFFFAOYSA-N 412.494 1.901 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cn2ccccc2n1)[C@H]1CCS(=O)(=O)C1 1705570357 MJHGKUBDJSJXMB-KRWDZBQOSA-N 412.519 1.358 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC[C@H]1C 1705584689 UHEUXWIOWSLUHD-LJQANCHMSA-N 417.517 1.310 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1705617703 FEZMKDYVNYPVKB-UHFFFAOYSA-N 423.477 1.536 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2cc(CO)nn2)CC1 1705775858 PBNCWDNDBMVJBF-UHFFFAOYSA-N 414.514 1.091 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1705830549 SAVSYEDUWUJQCL-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1)C1CC1 1705852705 BEPXEAACHMGKIQ-KRWDZBQOSA-N 402.543 1.619 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705943691 IKQCRIZFLSTBTP-KSVNGYGVSA-N 421.567 1.921 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)O)cs1 1707764943 JJQOBTHUJDFACN-INIZCTEOSA-N 401.540 1.581 30 10 HDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1709203337 DLGHBAKQFUUOHU-SFXXBHMCSA-N 422.493 1.886 30 10 HDEE C[S@](=O)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1712713693 GOXIMPXWIJHBSX-SLQAJWMNSA-N 412.519 1.430 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(=O)(=O)CC 1722299409 PFYZQUNCWAUHFT-QGZVFWFLSA-N 419.551 1.871 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722319903 TZTZWVDCCGETQG-KRWDZBQOSA-N 413.551 1.993 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1722339957 HUXBSXPCWSWJHG-SFHVURJKSA-N 413.478 1.230 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1722361730 OVZDXRHDHNPRTC-GFCCVEGCSA-N 401.414 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@H](OC)C(F)(F)F 1722371312 VEESNTKIODJRQV-CQSZACIVSA-N 420.395 1.966 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCc1cnn(C)n1 1722397594 LFCSGPBTCKDQTO-UHFFFAOYSA-N 420.477 1.230 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1722440908 GPFCPUOGICMUNM-RTBURBONSA-N 418.586 1.458 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722459326 HWGGGSITYSVSFL-CABCVRRESA-N 412.581 1.550 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)C(=O)NC 1722465981 IALXUOAQBZNCDW-OAQYLSRUSA-N 402.543 1.961 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1722476576 AWSLJLCVRCJMRM-GFCCVEGCSA-N 413.320 1.417 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](COC)C1 1722696161 CXJGXRZNVRLYNJ-OAHLLOKOSA-N 401.467 1.108 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cccc(F)c2)C1 1722697455 KXUGCUGBUFMBAF-SFHVURJKSA-N 423.452 1.754 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 1722718498 KVJMARQLKVJGNK-SJORKVTESA-N 420.539 1.167 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722739893 YNKHMFXKXJRSEZ-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1729396259 BFLOTMMJFWHSBM-QGZVFWFLSA-N 414.535 1.945 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1729732751 VGYRRBNIJXJWLJ-UHFFFAOYSA-N 406.450 1.238 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730482481 FQFFWTKOSUFTSE-SFHVURJKSA-N 422.468 1.918 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1730639287 PSGXAYYUUOVXEY-UTKZUKDTSA-N 415.494 1.741 30 10 HDEE COCCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1730690524 FUITVHZOEYWWBR-UHFFFAOYSA-N 417.558 1.499 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCSCC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1731184527 OMPQXYSLVDKINI-HNNXBMFYSA-N 411.491 1.358 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1740547731 AHDJYRDVFIHDOD-CQSZACIVSA-N 403.433 1.464 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740566468 HLEXHTNZMWIXEX-KRWDZBQOSA-N 421.505 1.930 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625353 FFZIOOQNRSSXQS-QZTJIDSGSA-N 421.567 1.242 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(O)c1 1740658236 INKXKGNGCBWDFF-UHFFFAOYSA-N 407.474 1.626 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](COC)OC)CC1 1740696832 HVPRARAGWYNAGJ-IBGZPJMESA-N 401.486 1.425 30 10 HDEE C#CCSCCn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723265 OJYAJPZDPWKFNX-PXNSSMCTSA-N 424.567 1.537 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)CC1 1740759649 DMTUHTQCDICWTM-OTWHNJEPSA-N 405.543 1.532 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC)CC1 1740765342 UYOUJHLIQZORKR-BRWVUGGUSA-N 405.499 1.999 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1740781196 RCQNWAIMPRLENV-UHFFFAOYSA-N 423.481 1.368 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C[C@@H]1CCOC1)C1CC1 1740995460 MTPDEGFGUOJJGG-DOTOQJQBSA-N 410.540 1.736 30 10 HDEE CC(C)(C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1741169858 MXORTRVSBCRTBC-UHFFFAOYSA-N 406.512 1.560 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1741374762 HDQNSZDBCKRJIU-OAHLLOKOSA-N 415.498 1.385 30 10 HDEE CC1(C)CCO[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1742001747 FWNACWVDGMSXEU-CVEARBPZSA-N 407.540 1.735 30 10 HDEE CC[C@@H](C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1743853134 HGMUINOPMJMXKA-CABCVRRESA-N 411.576 1.359 30 10 HDEE CCCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)C1 1745696631 UHRZTOZUTMUDIK-HCXYKTFWSA-N 418.542 1.463 30 10 HDEE Cn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)cn1 1748017129 FQIYEZQPBIYNPO-MRXNPFEDSA-N 403.512 1.092 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(=O)(=O)CC 1748803197 POOLEANSGFKYSU-HZPDHXFCSA-N 411.572 1.596 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCOC1 1748858648 GGTOPJGPWNYCEG-OAQYLSRUSA-N 412.515 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCC[C@@H]1C 1748892665 USDHPLFHCREFLF-QKLQHJQFSA-N 404.536 1.194 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@]1(C)CN(C2CC2)C1=O 1748897040 PYIHARISQXFHMJ-QHCPKHFHSA-N 402.502 1.738 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1748925265 FUVWVCBKDUNSHM-KDOFPFPSSA-N 408.549 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@@H](OCC)C(C)C)CC1 1748991258 UWNUCOWBTHYBQT-QZTJIDSGSA-N 402.543 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)[C@H](C)CC)CC1 1749019019 IIXXAOOZCYMEFH-IEBWSBKVSA-N 416.570 1.826 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NCCC 1749080708 SVJWSKOHORJOKC-DJPFJPOOSA-N 403.527 1.911 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(OCC(N)=O)CC1 1749135676 HMOVWSNGHPQFBI-UZLBHIALSA-N 403.527 1.683 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749220711 ODCYOJWUIZOPTD-KRWDZBQOSA-N 413.526 1.917 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749231119 FJOOYKZNOYESLZ-UHFFFAOYSA-N 415.542 1.813 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749396583 AOLNACCZROKJCV-UHFFFAOYSA-N 400.531 1.245 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1749413264 SRJWNPVYPRDOPV-OAHLLOKOSA-N 421.571 1.972 30 10 HDEE C=CCCOCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1749461152 NYKKUBHXUXDTDK-RTWAWAEBSA-N 419.526 1.239 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCN(C)C1 1749507264 WTFYSCTWJZAPGR-MRUHUIDDSA-N 420.558 1.738 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CCN1CCN(C(C)=O)CC1 1749596077 QSKCHOFJGOPGBS-UHFFFAOYSA-N 413.526 1.143 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760144128 DWZHYCYMGJIISS-QGZVFWFLSA-N 420.477 1.650 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@@H]2C1 1760310977 QNRNBVLCHHJYCW-OAHLLOKOSA-N 423.359 1.984 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCOC1 1760479584 UGQGFNXEMSTSPE-QFIPXVFZSA-N 417.473 1.951 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1760525454 GVBIGMIWCHCKKN-UKRRQHHQSA-N 424.427 1.722 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC=C(COC)CC1 1760525595 LARVLFGRQLOLMU-UHFFFAOYSA-N 421.505 1.602 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)C1 1760542926 OMMIMXCREQBGOT-KSZLIROESA-N 402.543 1.885 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1760560386 ULYRDUSRZLWJTB-CABCVRRESA-N 416.617 1.338 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762436170 DLZQNEQMYBMMSZ-BVGIJJTOSA-N 424.509 1.512 30 10 HDEE CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1766637868 FQXWROBXYXTHAY-UHFFFAOYSA-N 406.512 1.466 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767244858 LSVCIBMRGNAFOC-UFOSLELVSA-N 400.483 1.545 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC(F)(F)F 1771305307 ZAMANLWOTAJJNK-MJBXVCDLSA-N 419.404 1.657 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CCN(C)C1=O 1849168269 YCGOYPKDTURXNI-GJZGRUSLSA-N 411.549 1.394 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCO3)c1COC)[C@H]1CCN(C)C1=O 1850864061 ZSFLGCSPTDOSPP-AWEZNQCLSA-N 413.434 1.001 30 10 HDEE COCc1c(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1ccc(F)cc1 1851402936 PZZKMPFRIXPCHG-INIZCTEOSA-N 424.392 1.797 30 10 HDEE COCc1c(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1ccc(F)cc1 1851402937 PZZKMPFRIXPCHG-MRXNPFEDSA-N 424.392 1.797 30 10 HDEE Cc1cccc(-n2cnc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)c2)n1 1852292215 WUFJZQGRNWCPJI-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)NCC#Cc2cccnc2)CC1 1852592053 HQDXPCHGCUEWQK-ROUUACIJSA-N 412.490 1.265 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccccc4F)nn3C)C(=O)C2)C1 1853695571 NFUMUGBZTYUIAL-MRXNPFEDSA-N 411.481 1.771 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(OC)cccc2OC)C1=O 1854186745 UQDFCGXYYXBXLA-HUUCEWRRSA-N 401.463 1.164 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)CC2CCCCC2)C1=O 1854319007 MROCZZFCVOWDLL-IBGZPJMESA-N 410.522 1.957 30 10 HDEE CCc1cc(CN2CC[C@@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)on1 1854441038 JVVJSMHPDYFBBG-GOSISDBHSA-N 408.462 1.063 30 10 HDEE CCOCC(=O)N1CCCC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854487400 KKMYTFNQNKTLNR-IBGZPJMESA-N 414.506 1.988 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCCCN3C)C3(CCCC3)C2=O)CC1=O 1855757066 UQVGRFIPTIFDTO-RTBURBONSA-N 416.566 1.489 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(Cl)ccn3)C2)CC1 1855889080 OFNUZOQYDPHROQ-HNNXBMFYSA-N 424.892 1.813 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCC#N 1856198182 FZLUGZXWPBKCCE-CHWSQXEVSA-N 400.426 1.604 30 10 HDEE COc1ncccc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856410483 IJQZTRUIQHUYIS-CQSZACIVSA-N 407.430 1.109 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)n(C)n2)c1 1856553706 ULNKATVCKQXNED-QGZVFWFLSA-N 411.462 1.691 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ncccn1 1857004582 WOOYIERXAGRAGY-HNNXBMFYSA-N 412.471 1.935 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCn2ccnc2CC)C1)[C@@H]1CCN(C)C1=O 1857080441 NCKCHURBRRTMFH-ZWKOTPCHSA-N 415.538 1.320 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1 1857970109 XSYDQNPNXRJMKJ-UHFFFAOYSA-N 400.464 1.126 30 10 HDEE CCN(C[C@@H](O)CNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1ccc(F)c(C)c1 1858028954 ILERORACSALMTG-KRWDZBQOSA-N 419.478 1.807 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)ccc1F 1858337162 XGYFHBIUPMXWMX-HNNXBMFYSA-N 423.491 1.747 30 10 HDEE C=CCNC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614151 VMRIISGILFRCCY-DZGCQCFKSA-N 405.882 1.995 30 10 HDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)cc1 1862689894 BWIMLSXJUNOROW-KRWDZBQOSA-N 414.370 1.880 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1C[C@@H](C)O 1870537184 QGSUDYKFFIVPPK-QGZVFWFLSA-N 415.490 1.691 30 10 HDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873595075 NZBGZFMKTWPZLQ-OKILXGFUSA-N 400.483 1.097 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccccn1 1874277143 LGUKZUCINPGRBQ-WVISFHDSSA-N 416.507 1.935 30 10 HDEE O=C(N[C@@H](C[S@@](=O)CCC#CBr)C(=O)O)OCc1ccccc1 1883403820 ZNSQTAIMIRVHDC-NPMABZOXSA-N 402.266 1.861 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 1982286521 KZVDCQLLDXVZQI-VXGBXAGGSA-N 413.334 1.744 30 10 HDEE C=CC1(O)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2074500945 SVCAMSXUODNYGO-SFHVURJKSA-N 410.467 1.354 30 10 HDEE N#CCc1cccc(C[S@@](=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074696808 USNMVWKQWIFGOB-YMGMXPECSA-N 401.444 1.776 30 10 HDEE C#CC[C@H](C)CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197743036 CFZDLDKRFRRKNC-LSDHHAIUSA-N 400.541 1.917 30 10 HDEE COCC[C@@H](CNS(=O)(=O)CC1(C#N)CCOCC1)NC(=O)OC(C)(C)C 2233904252 XIDKMERPVLSZMS-AWEZNQCLSA-N 405.517 1.156 30 10 HDEE CON(Cc1cscc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2235513345 JPSUJNAZJGDPEJ-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243399104 WQPZTNZJQKCMCM-QWHCGFSZSA-N 404.276 1.171 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247255571 PECMCFUYWZURPO-CQSZACIVSA-N 419.287 1.800 30 10 HDEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247838591 KIRFVYFSKRYJJW-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247918150 NDHUSJCALZDWDV-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE C#CC(CO)(CO)NC(=O)c1ccc(NC(=O)OC(C)(C)C)c(Br)c1 2261453679 LPVMXXPTMMHBJZ-UHFFFAOYSA-N 413.268 1.883 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCCNC3)cc2Cl)OC1(C)C 2267355408 GYDWUOKPCGEXKO-JTQLQIEISA-N 406.766 1.731 30 10 HDEE N#Cc1c(F)cccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270503789 JRPFNAZJOSJCQN-INIZCTEOSA-N 421.406 1.819 30 10 HDEE CO[C@@H]1C[C@@H](O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281948302 UEQLWRVMKPMFSY-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCS(=O)(=O)C(C)(C)C)c2)OC1(C)C 2281979610 FMCMBGODUBJIRP-UHFFFAOYSA-N 401.359 1.990 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282010983 BRILQJYIZMHADF-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCC[C@@H]3O)s2)OC1(C)C 2282340309 DNKRPBPNTCMYQW-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE CC1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCNCC1 2282410166 VMXOHFZJNJWWEH-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282499903 GLVLVFKLIHAJSB-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC3CNC3)c(Cl)c2)OC1(C)C 2282507319 FWMJLVSYJCCZGG-UHFFFAOYSA-N 400.737 1.527 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCC[S@](C)=O 2282507715 LQPJDGPGJQBFHR-VWLOTQADSA-N 401.359 1.341 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@]3(O)CCNC3)sc2Cl)OC1(C)C 2282619617 UAYIJMKDUFKCRA-QGZVFWFLSA-N 400.737 1.545 30 10 HDEE C[C@H]1CC[C@H](N)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836039 DVFFYPUNAJWZNK-RYUDHWBXSA-N 401.363 1.084 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOC[C@H]3C(F)F)s2)OC1(C)C 2282852670 SDGUJMFMEKDODT-JTQLQIEISA-N 409.285 1.702 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400367 VSQWFCOBOREJKF-INIZCTEOSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@H](C(=O)O)C2)OC1(C)C 2284410265 AVFAQQSLGJMLLM-HAQNSBGRSA-N 401.315 1.330 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)c2cncc(C#N)c2)C1 2361536991 JAYNOWPEUTVKOT-HNNXBMFYSA-N 402.423 1.876 30 10 HDEE C#C[C@H](C)N1CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 2362089199 SUYOBSZUHLSCPS-NOXFTYBFSA-N 413.518 1.969 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 2365207455 OJWOGBHNMIOEOG-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CC[C@@]1(NC(=O)OC(C)(C)C)CCOC1 2365208037 BRZURCVGRIHRDU-DNVCBOLYSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2365208632 SSXDKWIISYTOPT-HNAYVOBHSA-N 402.557 1.409 30 10 HDEE CC(C)(C#CC(=O)[C@@H](O)c1cccc(I)c1)S(C)(=O)=O 2365211379 LRUBDSZRUORPQN-ZDUSSCGKSA-N 406.241 1.720 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2365212156 PBLIWRARXBORBP-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE CN1CCC(C[C@@H](O)C#CC2(S(C)(=O)=O)CC2)(NC(=O)OC(C)(C)C)CC1 2367788178 NVGFDKORFOSPSP-HNNXBMFYSA-N 400.541 1.307 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cccc(I)c2)CCC1 2367836348 JOYAWYLGEPDODI-CYBMUJFWSA-N 404.273 1.766 30 10 HDEE C=CCn1c(C(=O)N2CCN(S(C)(=O)=O)CC2)cc2oc(Br)cc21 223718277 VQGXOYODKSURDL-UHFFFAOYSA-N 416.297 1.900 30 10 HDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409824856 QOZZBOKIODGRPA-GUYCJALGSA-N 416.869 1.423 30 10 HDEE N#CCC1(CNC(=O)C(=O)N2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 430355317 GQOAXBYEQNSVMY-SFHVURJKSA-N 410.474 1.603 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(CCO)C1=O 442278384 UAOOUAZIKGXMNA-HIFRSBDPSA-N 404.492 1.119 30 10 HDEE CCN(C(=O)[C@@H](C)n1c(C)nnc1-c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 443372176 JKRFQKCCDINIRS-DYVFJYSZSA-N 401.492 1.722 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)CC1 444593020 FIJYQMAHBQDJEJ-KRWDZBQOSA-N 410.522 1.871 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1 460291214 WRBFZCZBMHJJQZ-UHFFFAOYSA-N 413.499 1.597 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnn2CC(F)F)CC1 468244512 JVVXZCVTRAIRRW-UHFFFAOYSA-N 409.418 1.167 30 10 HDEE CCC1(CC)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC[S@]1=O 469878598 CINGRHVKOIMLLK-IYJVBRSBSA-N 411.549 1.375 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[C@H](NC(N)=O)C2)cc1F 476497921 XUWDFXUQZNMUEC-AWEZNQCLSA-N 411.393 1.697 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 483481554 YDXYRXGXDABHOD-GOEBONIOSA-N 414.491 1.953 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 486338101 HPNHAJGQZZZGEX-RTBURBONSA-N 406.504 1.703 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)cc1OC 489646058 NTDBCIBBXXHSEA-QGZVFWFLSA-N 405.432 1.472 30 10 HDEE Cc1sc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 497875594 URTMXBLMPPZAMO-UHFFFAOYSA-N 420.472 1.983 30 10 HDEE N#Cc1ccc(CNC(=O)Cn2cnc3c(c2=O)CCN(Cc2ccccc2)C3)cc1 513591707 ITRFQGIIVMIXFW-UHFFFAOYSA-N 413.481 1.990 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCOC1 533086012 URSAQYDELWSVSL-AWEZNQCLSA-N 412.486 1.958 30 10 HDEE CN(C)CCOc1cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)ccn1 534241869 UFXHFRNQWWFDJQ-UHFFFAOYSA-N 409.494 1.320 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1C 535894400 UQMCRIRNOZBIFW-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE CCOC(=O)c1ccc(N2CC(NS(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)nc1 543169705 MPGQFOPAUMUPRW-UHFFFAOYSA-N 420.878 1.950 30 10 HDEE CC(C)[C@@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 546197692 BAOAKGPVCJGVNX-FQEVSTJZSA-N 417.469 1.923 30 10 HDEE COc1cc(C[C@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)C(=O)O)cc(OC)c1 548536733 RILOSBKWRFNCMC-KRWDZBQOSA-N 408.407 1.689 30 10 HDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n1 552866633 KEAQCOQNEGMUFX-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 554287534 CJTSZALWGOZSCO-MOPGFXCFSA-N 404.470 1.683 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCSCc1ccccc1C#N 557429553 VGJSRGQOOWKSKQ-QGZVFWFLSA-N 410.565 1.905 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 560678250 FGZDKWLSCMAMKI-SFHVURJKSA-N 423.510 1.628 30 10 HDEE O=c1cc2c(nn1C1CCC(/N=C3/NS(=O)(=O)c4ccccc43)CC1)CCOC2 585619391 MXZYRYBBPXDDMU-UHFFFAOYSA-N 414.487 1.538 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccc(F)cc3C)C2)CC1 605061850 XAIIBAJIRCRQNJ-LJQANCHMSA-N 417.529 1.732 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)CCN1CCO 614628071 SPIGLGBWGGJALC-HNNXBMFYSA-N 409.446 1.209 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc(CC#N)c3)CC2)CC1 619482799 BCTUGQKDYCHGGQ-UHFFFAOYSA-N 404.536 1.317 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803585 LMBFUYVRFDIDFT-DOTOQJQBSA-N 408.462 1.613 30 10 HDEE O=C(O)C#CCNS(=O)(=O)c1cc(Br)sc1Br 717505695 GOUUJHNCGLKHKI-UHFFFAOYSA-N 403.073 1.639 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCN2CCOC2=O)c1 728390591 KZYOUYNMHBZDNN-PGMHBOJBSA-N 423.495 1.463 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C2CC2)cc1 728757105 GDNMECGJJCVVDX-VPMFXMNOSA-N 418.519 1.839 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCC2)C1=O 730463412 WYCSNUBPSBXQTI-OLRQPGBRSA-N 403.552 1.545 30 10 HDEE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732464803 AQECRGQIELSJDB-VXPUYCOJSA-N 413.478 1.191 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCCC1 732494686 KGXCACWZGOKCDT-AZUAARDMSA-N 422.485 1.620 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](Cc1ccccc1)n1nnnc1C 735772517 PYILPAWOHBLVBR-KRWDZBQOSA-N 410.459 1.451 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2C(=O)NC(C)(C)C)CC1 740756519 MYJNAOSMWLKPQV-UHFFFAOYSA-N 401.511 1.667 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 741344491 WCOOHALSKALZNF-CQSZACIVSA-N 406.458 1.525 30 10 HDEE COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1C#N 747038015 QOJQXQDATOYGHM-UHFFFAOYSA-N 421.500 1.989 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)s1 748066756 URNZBXHJTHDFNC-CQSZACIVSA-N 415.540 1.726 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2)C1 760302015 QLOUUTXEFXGGIG-GJZGRUSLSA-N 403.508 1.558 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCO[C@H](c3cccc(C#N)c3)C1)C2=O 762296795 SFRVDISZGANNLP-TUAABQIMSA-N 410.474 1.959 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767880540 KFFPIHMJKZXTGZ-UHFFFAOYSA-N 410.524 1.442 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 770543444 HVPHBGYRHRGCLN-GFCCVEGCSA-N 401.238 1.620 30 10 HDEE O=S1(=O)N/C(=N/Cc2nc(-c3ccc(OC(F)F)cn3)no2)c2ccccc21 771606157 QKOKZQPLZJPLQW-UHFFFAOYSA-N 407.358 1.972 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 773214603 YOCBSDIKJHHZRO-AZUAARDMSA-N 419.547 1.664 30 10 HDEE C#CCN(C(=O)NCCCc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 774217124 GLGSLAWRACCMTD-QGZVFWFLSA-N 408.520 1.858 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)c1 779440853 NLFYBBHTRCUMNE-NSHDSACASA-N 407.473 1.552 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCOCC3)CCCCC2)n1 788850284 ZGUDBEIPFQNHPX-UHFFFAOYSA-N 417.554 1.709 30 10 HDEE C=CCCCN1C(=O)[C@H](CC(=O)NC)S/C1=N\Cc1ccc(S(N)(=O)=O)cc1 790281770 BBCRENMLHQIPHC-BAOKRACBSA-N 424.548 1.236 30 10 HDEE C=CC[C@]1(C(=O)NCCCNS(=O)(=O)CC)CCCN1C(=O)OC(C)(C)C 790550626 SXQQYUYODYCFGB-GOSISDBHSA-N 403.545 1.778 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(NC(=O)NC(C)C)CCCCC2)n1 792491950 QSCGUBPBUGGNFQ-UHFFFAOYSA-N 403.527 1.902 30 10 HDEE C=CCOC[C@@H](NC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(=O)OC 796457210 YOKAIFSPLXLSPV-WTXIUTQJSA-N 424.494 1.309 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)c1 801131102 RYLRQCATOONMML-QFIPXVFZSA-N 412.511 1.764 30 10 HDEE CCOc1ccccc1NC(=O)[C@H](C#N)C(=O)Cn1c(O)nc2ccccc2c1=O 916925277 KVDADTVFWZPYNP-CQSZACIVSA-N 406.398 1.848 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)n[nH]2)cn1 1084267293 YPPOKOSQRCNZBS-UHFFFAOYSA-N 419.559 1.502 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(CC)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1128111967 PCSYSAILACWVIJ-HTAPYJJXSA-N 415.490 1.896 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(CC)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1128111971 PCSYSAILACWVIJ-VGOFRKELSA-N 415.490 1.896 30 10 HDEE C#CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1133710117 SJOSAOVVVDAOPC-UHFFFAOYSA-N 406.504 1.318 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(C)c(C#N)c(C)c1)CCS2(=O)=O 1134858972 DHCCRPQVNYGEBT-NGEICVOHSA-N 404.488 1.804 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1136040855 FYZIDIFHGICTCQ-NRFANRHFSA-N 415.494 1.628 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CC2)nc1 1136367366 PBDATHIFPPGVOC-IBGZPJMESA-N 404.474 1.758 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1136941243 LOJIZYKJAPPVCI-VOTSOKGWSA-N 421.501 1.709 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1138108218 KOAZQDPOPOYNKS-GDBMZVCRSA-N 403.483 1.803 30 10 HDEE CNC(=O)[C@H](CCSC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1141687131 JFNALUVAZGZDCW-FEDUSRTKSA-N 424.567 1.757 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1148500070 RMRIYQLWDGFRRZ-XJKSGUPXSA-N 410.409 1.746 30 10 HDEE C[C@H](CC(=O)NCc1nn(C)cc1C(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1152061076 PFKUMXHEGXRMOM-SNVBAGLBSA-N 411.434 1.491 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4ncc(F)cn4)CC3)n[nH]2)c1C 1153982446 CZJPGKGWQQHVDO-UHFFFAOYSA-N 410.457 1.968 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1cccc(Cl)c1 1154068807 CZCONKDOTNRBQH-SUMWQHHRSA-N 421.906 1.598 30 10 HDEE N#Cc1ccccc1Sc1ccc(C(=O)N2CCN3[C@H](CNS3(=O)=O)C2)cc1 1156620279 CQFFULQLLHWZMU-MRXNPFEDSA-N 414.512 1.684 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)s1 1158733681 LXWDDCGOEMJSJH-CYBMUJFWSA-N 420.578 1.181 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(CN=[S@](C)(=O)N(C)C)CC2)cc1C#N 1159049664 BYLWKBWWKCSSFT-MHZLTWQESA-N 411.553 1.807 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(S(=O)(=O)NC(C)C)CC1 1161433189 KSVONOZHAHIXEU-UHFFFAOYSA-N 405.480 1.251 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C)C(=O)OCC 1176172785 KJJZWFPECUQFTB-AWEZNQCLSA-N 400.435 1.539 30 10 HDEE N#Cc1c[nH]cnc1=N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1186358635 GMOWFASQGMPIAU-CQSZACIVSA-N 422.308 1.798 30 10 HDEE C=CCCN(OCc1ccccc1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1211565839 CWHMCMAOUKASAL-QGZVFWFLSA-N 402.538 1.608 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OCC(=O)OC)cc2)n1 1214126698 ZNHIALCOLZNWRP-UHFFFAOYSA-N 400.435 1.749 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cccn2ncc(Br)c12 1264322338 ZXDBYTPPXQIBED-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCCNC(=O)C1CC1 1282643000 ZVVCCQAZLPHMPO-NSOKGPEJSA-N 403.523 1.522 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1cc[nH]n1 1286302080 QREPNAXMPAPNMW-MRXNPFEDSA-N 407.478 1.777 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1286324432 PGQCXWABAMIKPM-KRWDZBQOSA-N 420.539 1.154 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCC1 1286462689 RPMRQVUZQSGPLE-UHFFFAOYSA-N 401.467 1.397 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[C@H]2C)n1 1286472652 ZWCUKEPVLODFAK-RYRKJORJSA-N 411.510 1.368 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1286483500 NITFTBUJOPPBOQ-WIYYLYMNSA-N 412.538 1.137 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1286493501 CSPNVKLNYHPPIV-INIZCTEOSA-N 403.552 1.886 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286720959 XUILPCHRVUQUNX-CYBMUJFWSA-N 410.931 1.897 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(O)CC1 1286758166 FXDSISKUHXPSDZ-QGZVFWFLSA-N 423.583 1.205 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286786304 QTYZFNYXMBLCIG-SFHVURJKSA-N 401.559 1.064 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC(=O)N1 1287472012 RGSPNHOCGPTLAW-QGZVFWFLSA-N 408.510 1.348 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1288529369 HZGAJXZJSMTYNK-KKSFZXQISA-N 409.494 1.534 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3noc4c3COCC4)n2CCS(C)(=O)=O)C1 1288977107 JCVLJUSTCNTEGX-SFHVURJKSA-N 420.495 1.180 30 10 HDEE Cc1ccoc1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1289260905 YCYLKKDTIYMAPO-OXQOHEQNSA-N 401.467 1.997 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1290975933 ILNRUKZSNQNKSG-BBRMVZONSA-N 416.432 1.908 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3oc(O)nc3n2)c1 1291629858 WPBBOZRZSVFDQH-JCMHNJIXSA-N 415.431 1.994 30 10 HDEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1292457552 HUGQYZQTPQGHEU-FOIQADDNSA-N 417.535 1.653 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1)C(=O)OC(C)(C)C 1292754635 PSEUMMMGUGBUCS-AWEZNQCLSA-N 409.508 1.642 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CSCCSC1 1297335623 QUDSSKRFGNGKNM-WMLDXEAASA-N 404.561 1.861 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1297963999 HGQRNMNJQNZMEV-NRFANRHFSA-N 409.494 1.387 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1298691150 WWBTYSRENWSMKH-ICSRJNTNSA-N 416.474 1.442 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C)C(=O)OC 1299179293 OVUVGWJUAOWHGM-YJBOKZPZSA-N 406.504 1.853 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(C)C 1300537327 DUZDGFZBHPKSAJ-KURKYZTESA-N 404.536 1.314 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1300600983 CHRXRNZSVQERAD-HZPDHXFCSA-N 410.588 1.468 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1301238512 AMKKXSFMFODHCN-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1301502929 SVJKRKLZQDDZAX-AWEZNQCLSA-N 414.514 1.286 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301506033 FPXFOEYGDWBDAQ-AEFFLSMTSA-N 412.513 1.983 30 10 HDEE COCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1301564178 IVTVFCVHPDLJHW-UHFFFAOYSA-N 423.525 1.940 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCOC2)C1 1301567365 VXSWGXCTAMEWAC-VQIMIIECSA-N 405.524 1.567 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1302978040 GFECPNRCXQZPSH-NHYWBVRUSA-N 404.368 1.640 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(N2CCCC2=O)C1 1304084332 DBYWPHWGMORRLB-UHFFFAOYSA-N 422.279 1.931 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1310131630 RTFFQKJMBTYDMH-UHFFFAOYSA-N 420.491 1.804 30 10 HDEE C#C[C@H](NC(=O)NCCCn1ccc(O)nc1=O)c1ccc(Br)cc1 1312937945 UKKAIEHLZQYLNT-AWEZNQCLSA-N 405.252 1.775 30 10 HDEE CN1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1314930170 CEIVZGSDIZFVOP-LAUBAEHRSA-N 419.549 1.640 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(OCC(F)(F)F)n1 1321356094 ACHDDNXADCILEL-PFONDFGASA-N 413.356 1.348 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1358969313 MQZUNFADDSQFBR-SJORKVTESA-N 415.519 1.429 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCC[C@H]1C 1358974070 QFMMLJPUDOQUBC-VQIMIIECSA-N 402.462 1.419 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1359035767 DCMSTGNWPBSTDA-VAMGGRTRSA-N 416.570 1.037 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1359036311 SRTKRIMAKLIIBT-UHFFFAOYSA-N 424.549 1.670 30 10 HDEE C=C(Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccccc1 1359137076 DLUSWZDUDIHCQY-JOCHJYFZSA-N 408.506 1.929 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359303819 BUBPDJFSJUGEJU-MSOLQXFVSA-N 413.526 1.305 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(CCCO)CC1 1359331135 OJEDTFRCZGSFIB-UHFFFAOYSA-N 420.539 1.325 30 10 HDEE CC(=O)N1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1359372923 NGLZQTRHAMDFRM-UHFFFAOYSA-N 411.466 1.086 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)c1 1445534959 XMVDOTSBOLRWJE-UXHICEINSA-N 404.532 1.857 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C 1450055344 KCXRWAHWZSNCMW-IHRRRGAJSA-N 424.523 1.643 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)[C@H]2CCC[C@H](OC)C2)s1 1453280097 HCHYLLGZOLPZSG-OFQRWUPVSA-N 416.565 1.437 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1456875951 BVHJXFMECYPAIY-OAHLLOKOSA-N 416.459 1.107 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)C1 1458035379 FMNNGXSRBUWLNK-UHFFFAOYSA-N 420.874 1.970 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(NC(=O)C2CC2)cc1)c1cc[nH]n1 1463861056 YJTMSHCZEUCVFI-UHFFFAOYSA-N 413.434 1.358 30 10 HDEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1466738216 VTPPTBJJJASBTE-JNNCMOEMSA-N 403.479 1.863 30 10 HDEE Cc1ccc(C(=O)NC2(CO)COC(C)(C)OC2)cc1B1OC(C)(C)C(C)(C)O1 1467630207 YGKOROXZWXCHDE-UHFFFAOYSA-N 405.300 1.538 30 10 HDEE C#C[C@H](CO)NC(=O)CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 1468481770 ZYISFOQHMYLAPJ-GOSISDBHSA-N 417.509 1.791 30 10 HDEE C=CCn1cc(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)nn1 1470583554 CVOVWRUYQFGOIF-NRFANRHFSA-N 410.478 1.177 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H](CS(=O)(=O)NC)C2)CN(C(=O)OC(C)(C)C)C1 1470834212 COUFTJMFPJAXEG-OAHLLOKOSA-N 415.556 1.587 30 10 HDEE N#CC1(CNC(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)CCOCC1 1471570249 ANPIZUBUMWZZMQ-UHFFFAOYSA-N 416.432 1.993 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1472011410 FTEBFJPRWHGGLB-AUVQNDJMSA-N 406.483 1.713 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1475379946 VBGZZCVEJJHPEM-NSHDSACASA-N 414.270 1.562 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)c1 1475714290 DGIJEEYIFIFFFF-QXAKKESOSA-N 424.519 1.186 30 10 HDEE Cn1c(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nc2cc(Cl)ccc21 1478498428 YBSZHUCSNOKDEX-UHFFFAOYSA-N 413.825 1.127 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(F)c(F)c3)C2)c(=O)nc1O 1479120744 ZUAOGEHDKRXZCZ-CVEARBPZSA-N 417.372 1.195 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1493263961 BIPRWPHSJAIQGN-KURKYZTESA-N 417.558 1.513 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCS(=O)(=O)CC2)C1 1493905578 CVSANOSSEHQDQN-HNNXBMFYSA-N 415.519 1.603 30 10 HDEE CCc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)no1 1498338247 BAZVVKYMIGOTCU-MRXNPFEDSA-N 420.477 1.925 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC=CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1504953442 FAZVEFGXDDISRM-KIJUOZEOSA-N 416.482 1.295 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507581440 SOBYREYPFOVMTO-IAGOWNOFSA-N 413.526 1.460 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(O)c1)[C@H]1CCS(=O)(=O)C1 1507631738 SREQGQYYJAIUPS-INIZCTEOSA-N 416.503 1.545 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1507681051 QGWFXKXNYLJGFS-FQEVSTJZSA-N 418.519 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1507699886 KJYWDDZFMMLOIT-ULQDDVLXSA-N 410.540 1.286 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507723192 YYJHMCUJAKTVLH-IBGZPJMESA-N 406.534 1.923 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2n[nH]c(C)n2)CC1 1507732597 PZHQDCLNLKEKKA-UHFFFAOYSA-N 424.484 1.421 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507807466 VRWCJSBRXYKMPK-QFBILLFUSA-N 413.526 1.947 30 10 HDEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1507865883 VOTLULAXEWEFLT-UHFFFAOYSA-N 420.945 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncn(C)n1 1539011730 HBDXEWKQZBEXDD-HNNXBMFYSA-N 406.498 1.087 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539201302 ZVAGGSXYBJVFML-BRWVUGGUSA-N 407.540 1.403 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1539265525 HHZIRXGVKQIJFC-OAHLLOKOSA-N 403.895 1.350 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H](OCC)C(C)C)CC1 1539460065 UQURSWWJQCDLLN-LJQANCHMSA-N 416.570 1.607 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCC)CC1 1540686098 KPUFMJYJFVRMPI-CQSZACIVSA-N 402.923 1.303 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 1540869306 IQMZHLXFOVWWBJ-HNNXBMFYSA-N 404.515 1.903 30 10 HDEE CCCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1547178168 HOXBDHTUYGATCH-SFHVURJKSA-N 415.542 1.251 30 10 HDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1548274662 SPPPABVRTVPGFA-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1555712986 ANHQKZIXTPXRJP-UHFFFAOYSA-N 417.535 1.829 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)cc1 1556381875 LGSBTJZMQDQHKQ-NFBKMPQASA-N 409.486 1.961 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 1562811648 CLMQJHJAZVCZAR-GFCCVEGCSA-N 418.454 1.633 30 10 HDEE C#CCN(C(=O)NCCCc1cc(OC)c(O)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1565143306 HEOKGTIQBKCVRS-OAHLLOKOSA-N 410.492 1.174 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1570816841 ISWKUDVCPZMQSX-MRXNPFEDSA-N 406.504 1.130 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1 1586552729 SUXGOJOXILGGRS-UXHICEINSA-N 416.547 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1587878759 GFTDWZWDHZLACR-LJQANCHMSA-N 422.507 1.241 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1587927225 YWAMYQCWXZXCMB-FQEVSTJZSA-N 402.451 1.192 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1587965481 GGRALRDMPYYWNL-UHFFFAOYSA-N 416.533 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1n[nH]c(C)n1 1588185545 IQHGSVZNEPOSNM-NRFANRHFSA-N 411.510 1.451 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1588930167 OVUCNBCLTSZVTC-IBGZPJMESA-N 422.489 1.998 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCSC)CC1 1588955192 QKAJOSYHKCHEBV-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2cnccn2)CC1 1589047564 AYNPBZLGLLWTEK-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1594813759 YNKFTYVNOCOPLH-SFHVURJKSA-N 401.515 1.883 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1595476744 NBRWAFUVNKZSJU-OAHLLOKOSA-N 401.515 1.712 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CC)C1 1595551290 NNRVBVZXHHRBFY-YJBOKZPZSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603096 XSYOTCLWBBCVAH-LAUBAEHRSA-N 420.558 1.151 30 10 HDEE CC(=O)N1CCN(CCn2c(C3CC3)nnc2N(C)Cc2ccc(C#N)cc2)CC1 1596288506 GRMHLIRDQSMXOK-UHFFFAOYSA-N 407.522 1.828 30 10 HDEE CC(=O)c1cc(F)c(O)c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1596942088 BYBJDHVHHMVXMZ-SNVBAGLBSA-N 405.407 1.911 30 10 HDEE CC(C)CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1607217550 JIMPQVJQWAPELS-RHSMWYFYSA-N 416.523 1.393 30 10 HDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1612890167 AVCSZGILAFVXDD-SZGQWAQFSA-N 402.499 1.716 30 10 HDEE N#C[C@@]12CN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)C[C@H]1CS(=O)(=O)C2 1612963198 KIBROYQZUGNUPB-LRDDRELGSA-N 409.393 1.932 30 10 HDEE Cn1c(=O)nc(O)c2c1nc([N+](=O)[O-])n2Cc1ccc(C#N)cc1Br 1615091924 JCLORWNBVMCJNC-UHFFFAOYSA-N 405.168 1.426 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCCc2nnc3c(=O)n(C)ccn23)cc1OC 1616589712 ORPICLMZSZHIIE-SOFGYWHQSA-N 409.446 1.374 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1617397978 CTBBXDIYCYEIBC-SFHVURJKSA-N 424.477 1.389 30 10 HDEE C=CCOCCCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1617911932 XRCKGSQUNNVSKJ-KRWDZBQOSA-N 411.480 1.847 30 10 HDEE C#CCNC(=O)CCN1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1620642897 NIEGIGHSNMNXHW-IBGZPJMESA-N 408.340 1.414 30 10 HDEE N#Cc1cn(CC(=O)N2CCC(C(=O)c3ccc(Cl)cc3)CC2)c(=O)nc1O 1625436928 GPIDHSDSPVXBDM-UHFFFAOYSA-N 400.822 1.595 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1 1625825711 DSSKMHNGXIPPMF-HZPDHXFCSA-N 423.535 1.974 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1626373761 MDUNLHBEXDJZEY-SJORKVTESA-N 407.511 1.343 30 10 HDEE N#C[C@]1(NC(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CCSC1 1627705893 PMUILFNTRKXNFH-LJQANCHMSA-N 417.512 2.000 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1627895198 FBAOJQHNXLKWBV-QZTJIDSGSA-N 402.495 1.871 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)c3c[nH]c(C#N)c3)CC2)CC1 1629784514 PKCGGZFFVQPEIF-UHFFFAOYSA-N 416.482 1.317 30 10 HDEE CSc1nc(O)c(C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)cc1C#N 1630514727 ZDTWGKZGMWAKSZ-QGZVFWFLSA-N 411.531 1.927 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)c2ccc(Br)cc2C#N)cn1 1630714135 DDCLORQEOIWPBL-CQSZACIVSA-N 408.256 1.624 30 10 HDEE CN1CCC2(CC1)CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CCO2 1630834553 DQUCMKGMKNEYME-UHFFFAOYSA-N 405.520 1.701 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)C1 1632533164 OHTPHQFUZBYYNJ-HKMRUAMVSA-N 400.435 1.651 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1633698845 VEMXPUXEABBQGA-OAHLLOKOSA-N 400.541 1.919 30 10 HDEE CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)NCC#CCO)c2)cc1 1634026919 JBFGDAHTBOJLFU-UHFFFAOYSA-N 416.499 1.944 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2ccc(OCc3ccccc3C#N)cc2)c1=O 1634646193 KWAVVIVVGWUSSS-UHFFFAOYSA-N 418.453 1.818 30 10 HDEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]2CCCN(O)C2=O)c1 1636546689 WIJRXHHIYZLFCJ-CVEARBPZSA-N 407.467 1.627 30 10 HDEE C=CC1(CC(=O)NC2CCN([C@H]3CCOC3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1636997260 UQOFUBYUNGCILI-INIZCTEOSA-N 407.511 1.696 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)NCC#C[C@@H]2CCCCO2)ccc1Cl 1637185423 CDSPBDCHQHRKPK-AWEZNQCLSA-N 400.884 1.824 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1637759032 YJPRJAAZXYQKDR-JKSUJKDBSA-N 414.911 1.506 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)cc1 1637890088 GHAJEZSVRXIHGT-UHFFFAOYSA-N 422.489 1.544 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1642992826 TZLBKKDZSKJZCN-LJQANCHMSA-N 401.426 1.609 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1643596508 KVEKJMCUNLFNFA-MRXNPFEDSA-N 403.527 1.521 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc[nH]c3C23CCC3)s1 1643869847 NPAYSXRSKOPNKW-UHFFFAOYSA-N 406.533 1.942 30 10 HDEE C=CCCC[C@@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OC 1644822543 FZUXHMUGUQDWLU-GFCCVEGCSA-N 403.435 1.578 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1646096887 ZPYGDVVQCSFTMU-GOSISDBHSA-N 423.498 1.581 30 10 HDEE CCOC(=O)c1csc(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)n1 1648110650 RNDTXUVTRZBSSV-INIZCTEOSA-N 400.460 1.574 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)C1 1651805461 KWGGMEMEGBWJLN-CYBMUJFWSA-N 403.826 1.967 30 10 HDEE CCc1nc(C#N)cc(NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 1652214899 RZGZGMVFLALQNW-AWEZNQCLSA-N 409.512 1.747 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](CS(C)(=O)=O)C1 1654940351 LOLPCFFMTCUMGH-LSDHHAIUSA-N 411.549 1.622 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1659017921 OYIAOXAXBRORTC-MOPGFXCFSA-N 401.511 1.362 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1 1664912572 POCUOTSYKVMYPK-IBGZPJMESA-N 410.492 1.382 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3c(CC(N)=O)cccc3C2)c1 1665477024 OWCLAMYVKGZHQI-UHFFFAOYSA-N 413.499 1.377 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)C1=O 1680321659 VKXPGOKMUSPBIT-CHWSQXEVSA-N 404.458 1.963 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)C)cs1 1689826029 HATPVPARUMEKQW-CHWSQXEVSA-N 410.569 1.974 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1689849592 OFXQTOTVQMMRHD-XHSDSOJGSA-N 404.515 1.848 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NC(C)C)c1 1689873253 CBMKIJKXLCGHKS-GOSISDBHSA-N 424.505 1.710 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689967662 NCJQLXNPYIULSA-OAHLLOKOSA-N 405.499 1.359 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1690019702 PJIYIRBQFIWFSG-SFHVURJKSA-N 412.515 1.504 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1690058841 CJJWQEHIUFKZSZ-ZDUSSCGKSA-N 410.569 1.609 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690169720 MJACXYQHNPUJBL-HNNXBMFYSA-N 415.523 1.816 30 10 HDEE C=C(Cn1c(CC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1690324083 IERKRKQFAOTXQI-SFHVURJKSA-N 408.506 1.337 30 10 HDEE CC(C)SCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1692625083 CIXJEADDGMTDLB-AWEZNQCLSA-N 401.496 1.796 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCSCCCO)cc1 1698488707 ROMMVWWXRRYYKS-UHFFFAOYSA-N 400.508 1.259 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705479444 LURQZFXZBUJAAU-GUYCJALGSA-N 417.432 1.455 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1705630878 KBWZPLOTUQPVCM-DBXWQHBBSA-N 404.511 1.944 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC(C)C)N(C)C)CC1 1705639881 YOSVXYUETSMIOC-UXHICEINSA-N 402.587 1.904 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1705652021 NSWDMLZLOXZIAZ-CQSZACIVSA-N 405.549 1.775 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCCN(C(C)=O)CC1 1705896132 CGGLRHLKDYYMRZ-UHFFFAOYSA-N 412.494 1.315 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705904862 AQJVFKBMWRMEFG-CQSZACIVSA-N 423.514 1.180 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cncn2)C1 1705929923 ALZVXNPEYRJVOJ-JKSUJKDBSA-N 407.544 1.825 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705948493 VMKKGSIIUFRZOA-HZPDHXFCSA-N 418.567 1.567 30 10 HDEE CC[C@@]1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CCO1 1708862443 FBNSXWVPGQGTCF-NRFANRHFSA-N 422.493 1.911 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@@H]1CCOC1 1709101619 CRVJCMXBQKHLHP-HNNXBMFYSA-N 412.494 1.819 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710789071 IJJGMEIYNKYXRT-CVEARBPZSA-N 423.539 1.116 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1710986263 AIVAZVKMDRPUCP-QZTJIDSGSA-N 410.478 1.289 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H](C)O1 1712286101 TVCDKFKBYGWLTE-VPKVUBIPSA-N 424.505 1.535 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCCO2)C1 1712877655 RERVGQCVQFYXFO-JXFKEZNVSA-N 420.489 1.428 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)CC)c1 1722308487 BEBOFVPZQDLLRL-QGZVFWFLSA-N 424.505 1.317 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(F)c1 1722422035 PDBWYROJMWOMDL-CQSZACIVSA-N 409.487 1.162 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccco2)n1 1722429935 VIFKJGNOCIDDEZ-KRWDZBQOSA-N 410.478 1.906 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1722431344 OAHODJSDMXPIBJ-DENIHFKCSA-N 417.554 1.499 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCC(=O)N(C)C)CC1 1722434995 CYPJDKQPISNZPT-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1722470147 CSVVCQGAVRZLSI-HTAPYJJXSA-N 408.506 1.827 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 1726396829 CNUAEDILVNKGLY-JOCHJYFZSA-N 410.522 1.976 30 10 HDEE CCOCCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCC1 1729123234 BUJSGTNFFVGXKH-QGZVFWFLSA-N 416.526 1.726 30 10 HDEE COCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1730923450 WBLAYPPNDDEDQD-KRWDZBQOSA-N 423.477 1.727 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCCNC(=O)C2CCC2)c1 1740563130 VEGWBZJXYIKYJX-UHFFFAOYSA-N 408.506 1.949 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1740631012 NLENRHHONSSTEH-MSOLQXFVSA-N 420.583 1.082 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnnn1C 1740681992 ZMYZXUTYVBECBL-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCCCO2)CC1 1740703989 FESOWHAZTAWKIT-GOSISDBHSA-N 423.521 1.660 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CC(F)(F)C1 1740951856 OZMKWRDJSMHGSG-UHFFFAOYSA-N 419.436 1.709 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1742835346 BMPFUVBRHVKKJD-SFHVURJKSA-N 409.538 1.753 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1748776349 GGJKIHFEWQBTMR-OAQYLSRUSA-N 413.478 1.519 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1748791361 STRYVIFEDIUPQU-GVDBMIGSSA-N 407.540 1.056 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1749390113 AHLYNDDISINESQ-HUUCEWRRSA-N 412.560 1.302 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(CN2CCOCC2)CC1 1749456942 NOKQCDCZILAGIM-FQEVSTJZSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)(F)F 1749485026 NDYNSAFQWPDCQD-UHFFFAOYSA-N 421.383 1.895 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1749575498 SBGVBCBUYRYACW-CQSZACIVSA-N 421.489 1.853 30 10 HDEE COCCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749659647 GGGCLBVYTZXJID-GOSISDBHSA-N 415.542 1.394 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1749681106 XBWACVBTBISDMX-OAHLLOKOSA-N 416.457 1.013 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(C#N)o1 1749932044 NDVNKFQKHUDYGW-UONOGXRCSA-N 402.455 1.182 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](Cn3cccn3)C2)n1Cc1ccc(C#N)o1 1750975239 WATXRFHAPSIEBS-KRWDZBQOSA-N 424.465 1.031 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760157645 WQJLEWFXZKQFFB-LAUBAEHRSA-N 401.511 1.588 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1760235098 BQSYNXKYUNUCGE-INIZCTEOSA-N 419.526 1.961 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760267888 DSFGKOSHUXDTST-SBUREZEXSA-N 422.533 1.857 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760335142 LRDJQXAOZPXKJC-FDPKGLCPSA-N 405.499 1.060 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1760352724 WVVVOXXWDSSAAU-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1760451993 AKKHYSPBNOJGHY-QZTJIDSGSA-N 403.527 1.999 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1760467663 PXOZKFPBTCSIOB-UHFFFAOYSA-N 402.524 1.938 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1761357364 ZJECCCJGVTXZBL-QGZVFWFLSA-N 403.531 1.365 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCNS(C)(=O)=O)C1 1761544518 FZKKWNDRXRABBF-QGZVFWFLSA-N 408.553 1.610 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N[C@H](C)CC 1764908900 BBRZDJXBNAMIJJ-MRXNPFEDSA-N 410.526 1.739 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1766983549 JHHWYQYGKJVTFA-JVMRMLDLSA-N 423.477 1.015 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1769914402 HMVWOXQEIVBAAW-HZPDHXFCSA-N 400.483 1.452 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCCCO)CCO1 1771536793 BURWTNYAOUMJAF-LJQANCHMSA-N 423.477 1.259 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 1772788565 WLBJAOFAZUVCDI-UHFFFAOYSA-N 404.375 1.634 30 10 HDEE C#CCOc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1 1850102760 GBCNWFATHNUQHW-CYBMUJFWSA-N 419.425 1.746 30 10 HDEE C=CCN(Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@H]1CCN(C)C1=O 1850382341 UZJSZEMNZKOBFR-AWEZNQCLSA-N 402.451 1.981 30 10 HDEE CCn1cc(C(=O)N2C[C@@H](C#N)CC2=O)c(=O)c2cc(F)c(N3CCOCC3)cc21 1850451558 GMCPLEHHNABGHJ-CYBMUJFWSA-N 412.421 1.509 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC1(C#N)CCOCC1 1850462767 ZUCWCYHWDHSEKF-NSHDSACASA-N 403.863 1.582 30 10 HDEE C=CCN1C[C@H](C(=O)OCCNC(=O)c2ccc(-n3cccn3)cc2Cl)CC1=O 1852820871 WTKACDXRRNAABN-CQSZACIVSA-N 416.865 1.833 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3noc4ccc(C)cc34)[C@@H](C)C2=O)CC1=O 1853618205 YOUPLOQFNISTGF-JKSUJKDBSA-N 410.474 1.730 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)c1 1853630495 GPZTYRUBCWUMPU-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@@H]1C 1854312592 NQOHQCWTAFBODY-DLBZAZTESA-N 405.520 1.333 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)C(C)(C)C1=O 1854524626 NSIHLABHNOADGX-UHFFFAOYSA-N 416.503 1.977 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1854723350 VPYMWEBLTPDQSW-NSHDSACASA-N 418.302 1.839 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@@H](N3CC(Cn4cncn4)C3)C2=O)c1 1854955691 SFKGDWVEBPYKPV-GOSISDBHSA-N 412.881 1.761 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1855110836 XFONFOTZBFHNQH-RDJZCZTQSA-N 415.515 1.847 30 10 HDEE COc1ccccc1-c1noc(C2CN([C@@H]3CCCCN(C(=O)CC#N)C3=O)C2)n1 1855719049 IDOGTAAIFOSHLY-MRXNPFEDSA-N 409.446 1.966 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1Cc1nnc2n1CCC2 1855725050 QCUVPRZSSISXMF-CYBMUJFWSA-N 412.881 1.817 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)CCN1CCC#N 1856189622 RNORMYXLDXQDDY-LSDHHAIUSA-N 411.437 1.583 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CC[C@@H]2CCCO2)C1=O 1857060873 WHCFYSGLNDSGKK-GJZGRUSLSA-N 405.476 1.815 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857098041 HOVZKHHCYAJHJN-AWEZNQCLSA-N 415.446 1.900 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cnc3ccccc3n2)C1)[C@@H]1CCN(C)C1=O 1857276517 CJHMWBNFAKSATH-DNVCBOLYSA-N 407.474 1.337 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccn(C)n1 1857484560 PTCCTXGKTZUANQ-UHFFFAOYSA-N 402.476 1.736 30 10 HDEE COC(=O)c1sc(C2=C(N)N(C[C@H](c3ccc(O)cc3)N(C)C)CC2=O)nc1C 1872796122 MJZPRZSBRFKDMQ-CQSZACIVSA-N 416.503 1.759 30 10 HDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593383 OVLHMHZRXHJTOA-UHFFFAOYSA-N 414.510 1.178 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCC#CCN1CCc2ccccc2C1 1891096748 UWHRHJFHRIFAGD-UHFFFAOYSA-N 415.471 1.943 30 10 HDEE C#CCNC(=O)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 1962765171 XGYMJRYKLNOQNV-UHFFFAOYSA-N 405.454 1.781 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1CO 1981513056 CTYBXSRCDQMPIN-NWDGAFQWSA-N 413.334 1.432 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 1988230190 IUQWWOVQGPYXMY-NEPJUHHUSA-N 411.318 1.545 30 10 HDEE C=CCOCCCC(=O)N1CCC(=O)NCCN(c2nc(C3CCC3)ns2)CC1 2060410201 UYGPPEJPMQREFT-UHFFFAOYSA-N 421.567 1.943 30 10 HDEE Cn1nc(CNS(=O)(=O)CC2(C#N)CC2)c(I)c1Cl 2117759184 UIACIHFUIDTAQK-UHFFFAOYSA-N 414.656 1.401 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)C1 2174786573 LASDIJHHHZEEJM-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 2180116032 UOJBLSLKUAODAQ-UKRRQHHQSA-N 412.533 1.963 30 10 HDEE COC(=O)[C@@H](C)CS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2183618949 GFKOMQQPESJYJF-NSHDSACASA-N 403.331 1.276 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221675562 BSFFFBNACRWEEE-CABCVRRESA-N 411.296 1.995 30 10 HDEE C#C[C@@H](CC(C)C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2234699187 QSDCUZQISXRCJQ-LSDHHAIUSA-N 400.541 1.963 30 10 HDEE Cn1cc(C(=O)N2CCCN2C(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2243384113 KHDXCKRRECFHTM-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243418918 NNJCOWFPDYAWGU-AAEUAGOBSA-N 406.292 1.352 30 10 HDEE Cn1ncc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915583 FULLUEAZCNCJPC-MDZDMXLPSA-N 420.319 1.530 30 10 HDEE Cn1cc(C(=O)NC[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247918211 NPXMLJGLYQMKIQ-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE CC[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247921514 PZFSTPPWKLKTPD-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2nnc(Br)n2C)C1 2255160492 RNQOMKHSPREMGS-UHFFFAOYSA-N 412.288 1.501 30 10 HDEE Cn1nc(C(=O)N[C@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267176833 GALMRXMEKTWGGF-NSHDSACASA-N 411.695 1.398 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716048 HFWQITMTWKRKRM-ZZDSUILFSA-N 408.376 1.181 30 10 HDEE C[C@H](C#N)C1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270537173 ZVBXJYVOTBUEJD-PBHICJAKSA-N 423.491 1.567 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2281779253 FRMCWAIIRAOAEV-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]3(C)CCNC3)cc2Cl)OC1(C)C 2282304254 IHGXUHHUBBJKLG-INIZCTEOSA-N 420.793 1.979 30 10 HDEE CN(C)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282329672 PWCGEUCLCCRYHG-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCCN3CCCC3)c2)OC1(C)C 2282330391 YZWHQKVLJQJULJ-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2CCC[C@H]2O)OC1(C)C 2282334447 BHWAJXADGONVSN-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(OC(F)(F)F)C3)s2)OC1(C)C 2282350165 JOYCPTIHYWIONV-UHFFFAOYSA-N 413.248 1.957 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@]23COC[C@H]2C3(F)F)OC1(C)C 2282493165 VFBYJDVCZOGSFY-RISCZKNCSA-N 407.269 1.360 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H]3CO)ccc2Cl)OC1(C)C 2282499785 SDNVCMXSCQFMIV-LBPRGKRZSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@@H]2CO)OC1(C)C 2282500018 HIOGWUXEONBYHB-GFCCVEGCSA-N 401.721 1.785 30 10 HDEE CC(C)[C@@H](O)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282505095 YSQZGNIWFXUBEY-HNNXBMFYSA-N 403.737 1.934 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3C[C@H]4O)cc2Cl)OC1(C)C 2282825758 MMBSKTSJSAXYGU-JFGNBEQYSA-N 419.761 1.845 30 10 HDEE CC[C@@]1(N)CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282865330 SGJKQENHKWHAHN-QGZVFWFLSA-N 400.375 1.939 30 10 HDEE CSC[C@H](C)N(C)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870860 YNDOUXBKSPOHBR-NSHDSACASA-N 403.379 1.400 30 10 HDEE C=C(CS(=O)(=O)N1CCCC[C@@H]1CS(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282872355 VJCHDWKMDIKRPI-CQSZACIVSA-N 407.363 1.403 30 10 HDEE CC[C@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284400986 ZOYZCSTXSVBHSY-INIZCTEOSA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CC[C@@H]2C(=O)O)OC1(C)C 2284412894 YLODXRQQJZBFGT-MNOVXSKESA-N 401.315 1.436 30 10 HDEE C[C@H](C#CC(=O)N=c1ccc2ncc(Br)n2[nH]1)NC(=O)OC(C)(C)C 2326733214 TZNNVDHADWEEJE-SNVBAGLBSA-N 408.256 1.769 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)[C@@H](N)c1nc(Br)nn1CCOC 2328405600 VGSSLHIEIGIBIX-NWDGAFQWSA-N 416.320 1.994 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2cc(I)sn2)CCC1 2342082663 UCRRLIQORXVQPA-MRVPVSSYSA-N 411.290 1.223 30 10 HDEE C[C@@H](O)CCCN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2361275964 NRFDJZAMNMGDNI-CYBMUJFWSA-N 403.375 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788497 PRCUGAVUEJIIFH-ZIAGYGMSSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367823877 JKVQMWWASSNEKF-GJZGRUSLSA-N 402.557 1.457 30 10 HDEE C=CC1(NC2(C(=O)O)C[C@@H](C)S(=O)(=O)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2380748354 DEXAXRZLFXXENN-CHWSQXEVSA-N 402.513 1.561 30 10 HDEE Cc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292255 SWPHDTZVGMSFGH-AWQFTUOYSA-N 413.463 1.888 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ncccc3C(=O)NC[C@@H]3CCCO3)CC2)c1 22648412 UMLBXBXNXIPEJK-IBGZPJMESA-N 419.485 1.824 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 26073423 KRBSTGOLYSHFRK-OAHLLOKOSA-N 409.471 1.670 30 10 HDEE COc1cc(Br)cc(/C=N\N=C2/NC(=O)[C@H](CC(=O)O)S2)c1O 96454111 HHGIMSYDXRHAGX-DSGHGPTJSA-N 402.226 1.560 30 10 HDEE COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 116222904 HENPFJPHXGWDCS-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3cccc(O)c3)n2CCc2ccccc2)n(C)c1=O 254852636 HUWWJNMNLXBHHM-UHFFFAOYSA-N 418.457 1.828 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 428871070 JGPOZCUCUCFALY-UHFFFAOYSA-N 417.514 1.022 30 10 HDEE CC(C)n1cnnc1CN(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 429284322 LPIMJTVQEFMBSJ-LJQANCHMSA-N 413.501 1.839 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCC3CCC(C#N)CC3)cn2)C[C@@H](C)O1 441659397 FSYXGPOFHNXPGC-NUWOQIAWSA-N 402.499 1.970 30 10 HDEE COc1cc(CNC(=O)[C@@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)ccc1C#N 460604675 ZHGSMPITNQSIOC-SFHVURJKSA-N 409.364 1.815 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c1 473451023 UEEYSYJORVSCQX-QZTJIDSGSA-N 413.455 1.404 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 481750844 ZLTUYZSOWOZQJJ-ROUUACIJSA-N 411.462 1.725 30 10 HDEE CCCn1c(O)nnc1SCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 485256752 URVJXRXCSBRAEX-INIZCTEOSA-N 400.508 1.895 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NCCOc2ccc(C#N)cc2)cn1 486492952 FFNWFZMUPYRJJX-XDBZFTIUSA-N 401.492 1.669 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N(CC(=O)N1CCCC1)C[C@@H]1CCCO1 495741858 LFZXIIXCNOPILL-IBGZPJMESA-N 415.538 1.976 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 502783546 ZXQOUDLEAMFMMY-KKSFZXQISA-N 421.453 1.979 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(C(=O)Nc2nncs2)CC1 504073505 GMZRYZWYIKYCFP-GOSISDBHSA-N 407.496 1.977 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 508865196 SYALSAZDYQVYPQ-INIZCTEOSA-N 419.432 1.793 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCC(=O)N2CCCc3ccccc32)CC1 518478197 OSBJQMVZEFKYRJ-UHFFFAOYSA-N 404.474 1.764 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@@H]7[C@H]5[C@H]3[C@@H]7C[C@H]64)CC2)o1 530309234 IGMUAAOKEWOYKX-ZDJTVUMNSA-N 408.502 1.696 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCCO2)c1=O 533882936 PJBNCFWRPYWPRK-MRXNPFEDSA-N 412.515 1.085 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 537301342 HLEVKGKFYRCWHI-ZDUSSCGKSA-N 418.479 1.533 30 10 HDEE C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(=O)(=O)N(C)C)c1 540404631 RPYCTZIYPIKTPL-HNNXBMFYSA-N 421.544 1.933 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541100897 QEATZWOWOJPIQM-LBPRGKRZSA-N 422.898 1.800 30 10 HDEE C[C@]1(C(N)=O)CCCCN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 541702467 NOLIKLHAHGOCMZ-GHTZIAJQSA-N 401.486 1.264 30 10 HDEE CC[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc(S(N)(=O)=O)c1 542133733 BDRFLUGQJXNUBH-GOSISDBHSA-N 407.517 1.720 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)n1 546906589 BANJBSOEYZBOEM-INIZCTEOSA-N 411.412 1.933 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCc2ccc(C#N)c(OC)c2)C1 563614658 WFLCPOXUVFDNQF-KRWDZBQOSA-N 416.478 1.510 30 10 HDEE COc1cc(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)ccc1C#N 569049100 WGCHXFGESFRSON-AWEZNQCLSA-N 409.489 1.262 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1CCN(c2ccc3nnnn3n2)CC1 572522425 JHMPOYXTOOPNNJ-UHFFFAOYSA-N 420.477 1.283 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccccc4C3=O)CC2)c1C#N 589807109 UTINXFGZZRVAKJ-CYBMUJFWSA-N 409.471 1.657 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H]2C2CC2)CC1 609133533 FNLGNRDWCYMRBC-GOSISDBHSA-N 402.520 1.266 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@@H](C)C1 670200083 MSMMLIUERRRUGJ-KKUMJFAQSA-N 415.585 1.517 30 10 HDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccccc2)c1=O 679752689 CZEIXBCFPKQHEA-UHFFFAOYSA-N 409.511 1.260 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1ccc(Br)cc1 727447963 CTMVHUQXFKYOEK-OCOPJHETSA-N 418.334 1.872 30 10 HDEE O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCN/C(O)=C1\N=CC=CC1=O 732154391 VAALVPOQZPXZDW-CZIZESTLSA-N 422.470 1.802 30 10 HDEE CN(CCOC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC(F)(F)F 735903500 MAPOLTZAUUJUJG-AWEZNQCLSA-N 412.368 1.801 30 10 HDEE CCO[C@@H](C)c1noc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)n1 742422982 FTJJCKGUCQTLBF-ZDUSSCGKSA-N 420.495 1.008 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 751956569 AFISIAMAFNFWPM-APHAIJBRSA-N 406.483 1.666 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 752150192 AWQGTQUOPYITKU-UHFFFAOYSA-N 407.923 1.375 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cc1 756136758 VBQHQJQSOANUCL-HNNXBMFYSA-N 409.471 1.670 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)[C@H](C#N)c3nc(O)c4ccccc4n3)CC2)n1 760912039 UEXFILBYSVTETF-KRWDZBQOSA-N 413.441 1.601 30 10 HDEE CN(C)S(=O)(=O)CCCON=C(N)c1ccc(CNC(=O)OC(C)(C)C)cc1 769842233 KCNDEJKJKRWENY-UHFFFAOYSA-N 414.528 1.630 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)CC1 769886466 GSPOSXQOKOHXSP-UHFFFAOYSA-N 416.887 1.165 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)[C@@H]1CCCO1 773057510 OXVZQLYFTCVUBX-AAEUAGOBSA-N 424.447 1.119 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(Br)cn2)cc1 773508266 GEPJMOFXFUCZEV-UHFFFAOYSA-N 409.265 1.081 30 10 HDEE COCc1noc(CN2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)n1 781473445 UNSBBLGVYRPOBP-UHFFFAOYSA-N 410.434 1.738 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)n1 788693504 DWDURMBWMQUKRQ-UHFFFAOYSA-N 408.436 1.270 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)n1 789002604 SKWAMXYEULMQTD-SFHVURJKSA-N 413.453 1.619 30 10 HDEE CN(C)C(=O)NCCN(C)C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1 807249633 ARQDXUKOPFQTRP-UHFFFAOYSA-N 413.503 1.633 30 10 HDEE CN(CCO)Cc1cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1Cl 807993368 ANEGKMLVZGMDTE-HNENSFHCSA-N 406.870 1.619 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCc2cnn(C)n2)C1=O 814707081 JBJQWHDVEMNUMT-MRXNPFEDSA-N 411.491 1.387 30 10 HDEE CCCCN1C(=O)CC[C@H](C(=O)N[C@H]2CCN(O)C2=O)[C@@H]1c1ccccc1OC 816693934 VTYRAYYRDAEGDQ-BXWFABGCSA-N 403.479 1.881 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@@H](c2cnn(C)c2)C1 849506376 NEHHOOVKGZJKLN-NHCUHLMSSA-N 421.549 1.849 30 10 HDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917701067 VEBDORMGEASSJL-INIZCTEOSA-N 413.503 1.683 30 10 HDEE N#C[C@H](C1=CC=CCN1)[C@@H]1C=CN[C@H](N2CCN(Cc3ccc(F)c(F)c3)CC2)N1 1082164194 GTYJZDRYBGPXSI-WTNAPCKOSA-N 412.488 1.624 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1cc(C#N)ccn1 1128192530 PEWLYILVICKHDG-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C(=O)OCC)cc([N+](=O)[O-])c2)n1 1128666336 BOYRHNVGHQOCCK-UHFFFAOYSA-N 414.418 1.890 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCc3ccc(C#N)s3)cc2S1(=O)=O 1129865020 HCCKGKZPHGQGNQ-UHFFFAOYSA-N 405.457 1.341 30 10 HDEE Cn1c(C(F)(F)F)nc2cncc(C(=O)N(CCC#N)CCN3CCOCC3)c21 1136458093 RGTOKWGJHLYSBG-UHFFFAOYSA-N 410.400 1.675 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)c3ccc4c(C#N)c[nH]c4c3)CC2)CC1 1136638883 PYKSWSIGJMECCW-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 1136743367 PPNHVVFLHMFGPK-RTBURBONSA-N 424.586 1.759 30 10 HDEE Cn1ccc(N2CCC[C@@H](NC(=O)CCCC(=O)Nc3ccccc3C#N)C2=O)n1 1136998017 AIKSMWKRKPJNFK-QGZVFWFLSA-N 408.462 1.712 30 10 HDEE N#Cc1c(F)cc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1F 1138740978 AYAVAONCTRBNIL-UHFFFAOYSA-N 401.341 1.823 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@H]2CCCN(O)C2=O)C1 1141463774 SQBYLKAGTADDID-TWOQFEAHSA-N 405.451 1.299 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)=NO2)C1 1151625039 HISBVPIWCUAQMI-IIBYNOLFSA-N 417.510 1.731 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1152929465 GKTXMIJWWKAFMZ-WDYCEAGBSA-N 410.536 1.235 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1165490013 RSNKAJDRUUBWCY-LBPRGKRZSA-N 410.215 2.000 30 10 HDEE C#CCN1CCC(NC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1178207302 HWDJCDGYNXOBME-UHFFFAOYSA-N 416.526 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1179733573 IXUSJCRGDHAOBG-SJORKVTESA-N 419.503 1.346 30 10 HDEE CC(C)CN1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1=O 1211594284 FGJVQPKZODJTLO-UHFFFAOYSA-N 418.288 1.949 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1215512208 AYRAMOKMDRGAOD-UHFFFAOYSA-N 404.486 1.756 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)cc21 1220204698 XMSPKTXNYMPNSE-UHFFFAOYSA-N 415.479 1.484 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1254482783 VJPUGGKGTADNQK-HXUWFJFHSA-N 419.485 1.099 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](Oc2ncc(Br)cn2)C1 1258238234 LSMUXUVRKDDZCN-CYBMUJFWSA-N 409.265 1.953 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nc(N(C)C)ncc2Br)c1 1264687592 BJMOZSWTYFNUIJ-UHFFFAOYSA-N 416.279 1.997 30 10 HDEE Cn1nnc2cc(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)ccc21 1277156336 KSKQMSPKUOTVKE-OAHLLOKOSA-N 403.402 1.684 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1286371707 BJARXVIHMIHNCL-QGZVFWFLSA-N 412.469 1.323 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1286399126 ZGMJXYCMPZDMQP-KZNAEPCWSA-N 421.567 1.241 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1286444170 RCVZVHFQYNXBTA-AEFFLSMTSA-N 423.521 1.357 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286451681 NBOWSNGCQHXNRQ-KSZLIROESA-N 424.615 1.716 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCOCC2)CC1 1286653558 YTLFEHSFQAGKGE-UHFFFAOYSA-N 404.559 1.930 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1286775653 SEHDWJMVSDJKIZ-UHFFFAOYSA-N 403.494 1.690 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCC[C@@H](OC)C1 1286780479 VSPIZVAWVOBJRZ-CYBMUJFWSA-N 423.315 1.953 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2conc2COC)C1 1286813188 XVADEUXVZDMFRG-INIZCTEOSA-N 416.482 1.365 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1291406079 SWIOMDLDHVSHIC-XWDORNJCSA-N 421.542 1.845 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1295161477 FXBOOSYPBYVFAX-IBGZPJMESA-N 401.492 1.355 30 10 HDEE CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N(C)C[C@H](C)C#N)CC1 1296209925 BRRWHXHYXDHQQR-LJQANCHMSA-N 410.570 1.887 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1298209967 WVSJVSQLYBEEFR-KRWDZBQOSA-N 412.494 1.583 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300394487 RVANMYZPQLLRHC-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1300457434 CYSZNWZZGPRRRL-ZWKOTPCHSA-N 422.489 1.464 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1300486750 AJUOLDBKXOLVOO-KRWDZBQOSA-N 417.535 1.782 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300885029 NPXRWVGKBUBGBG-VQHPVUNQSA-N 410.540 1.387 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1300973155 VOSPKOSOQHROIZ-INIZCTEOSA-N 402.503 1.442 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1301383822 MWUJEHRRQDBUJY-KURKYZTESA-N 402.543 1.907 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1301429357 ZBSBTOULJGHDDV-SCLBCKFNSA-N 409.487 1.311 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCC(C)(C)C)CC1 1301520984 WDTPJTCWKGSEAH-QGZVFWFLSA-N 404.559 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H](C)C2)C1 1301566072 JVZFXPUYDBHMGF-KZNAEPCWSA-N 403.527 1.997 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NC(=O)OC(C)(C)C)c2)CC1 1302921539 JEBVILPPEWSOBM-UHFFFAOYSA-N 422.507 1.259 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCCCO)cc1 1302993573 DXQZFQXULVGUQS-KRWDZBQOSA-N 412.494 1.593 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC#N)CC3)n2CCOCCN(C)C)n1 1304752813 VSVLPWWVNMKMEO-UHFFFAOYSA-N 414.558 1.848 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)C(C)C 1310300676 FWCWIXOTHLHDFD-FXAWDEMLSA-N 418.519 1.846 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1312469276 JYEFUEDBFLUFMV-UTSKFRMZSA-N 410.515 1.611 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCS(=O)(=O)C2)cn1 1314897112 HQOYPMRWOMHHNO-INIZCTEOSA-N 417.539 1.633 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1314962601 SGNICSMGXFKRBM-FGZHOGPDSA-N 424.505 1.585 30 10 HDEE CO[C@H](CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1315186435 YBBQHRQWJIKUNV-BFHYXJOUSA-N 403.405 1.868 30 10 HDEE CN1C(=O)C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@H]1c1ccc(F)cc1 1349462150 DYXIIKTUVFEVJN-WMLDXEAASA-N 412.425 1.415 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(F)cc2F)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 1352905801 UQFVSRAAKDIQIZ-CQSZACIVSA-N 419.453 1.902 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCNC(=O)C2CCC2)CC1 1359037160 XTWBRIOCLFKFRV-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1359143081 UIABOGUQXLGWSS-HIFRSBDPSA-N 401.895 1.096 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1359203848 XINQYNYXHQXSIK-IAGOWNOFSA-N 409.556 1.641 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1359275267 OSUQLVDLTZYIEK-SFHVURJKSA-N 410.522 1.943 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1359344918 NAWBWNWTALPUGO-MRXNPFEDSA-N 400.508 1.824 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1359394524 XVPHLGDAKSYFOS-HNNXBMFYSA-N 405.462 1.834 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3nn[nH]c32)c1 1441633273 VCDNLUFUZOMJGU-DJFNHCPNSA-N 402.480 1.676 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2cnn[nH]2)c1 1441733302 DIXHFNIHVPKABQ-OQKWZONESA-N 404.496 1.969 30 10 HDEE CN1C[C@H](C(=O)NCc2ccc(OCC#N)cc2)N(C(=O)OC(C)(C)C)CC1=O 1443099422 LXAYKUZUUFYTDM-MRXNPFEDSA-N 402.451 1.283 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1453543180 AOCYDNHBBBEGKC-YCRPNKLZSA-N 419.478 1.440 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@](COC)(C(=O)OC(C)(C)C)C2)c1 1460610123 WPZUTZANVBZRMN-JOCHJYFZSA-N 415.490 1.996 30 10 HDEE C#CCC1(N[C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCC1 1460821600 SCONIEXDKBOTEU-GOSISDBHSA-N 403.548 1.752 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cnc3C3CC3)C[C@H]1CS(=O)(=O)C2 1463164395 RTUXESTYXURGHH-MEDUHNTESA-N 410.293 1.732 30 10 HDEE CNC(=O)Cn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1464308590 CXTPURVHZOFTDU-LQZXRHCMSA-N 416.482 1.354 30 10 HDEE CCN1C[C@@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1469845436 PNEGIHFTNBPNTI-CQSZACIVSA-N 410.434 1.970 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2cc(C#N)c(Br)cn2)CC1 1472688393 YXEDDUIUXAIKSN-CYBMUJFWSA-N 410.316 1.379 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1 1475621218 ZUOYEAZZUCPHML-HXUWFJFHSA-N 407.580 1.880 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 1475633631 HYBAYPKZNWHPBO-UHFFFAOYSA-N 412.353 1.129 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(c2nccc(-c3cnn(C)c3)n2)CC1 1478284977 RRYPUYLLUGLBRB-UHFFFAOYSA-N 418.523 1.367 30 10 HDEE CC1=CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1492610582 CGMIKDZFGHKDJJ-HTXNQAPBSA-N 406.450 1.418 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](C2CC2)N(C)C)CC1 1507736391 KLCFYNLKWQCHPF-HXUWFJFHSA-N 421.549 1.646 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C(=O)OC)C1 1507836106 XFBAZQDQZUZDAM-HNNXBMFYSA-N 414.466 1.517 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507845178 XQSJZBQTYGQERW-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1507954412 NBFBYGUXIJPSEJ-QGZVFWFLSA-N 419.555 1.655 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1507987745 KORWHPHDXSGVCI-OXQOHEQNSA-N 424.567 1.910 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1508122164 HUHNCDAEZVMKRA-QZTJIDSGSA-N 412.494 1.965 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCS(=O)(=O)CC1 1511888879 VZACHNGTRKBODJ-UHFFFAOYSA-N 415.523 1.005 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1512282847 APTZMRVYPSMAGG-OAHLLOKOSA-N 400.508 1.698 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCCN1CCOCC1 1519404087 JSELNDKRVCJVJL-BZSNNMDCSA-N 406.531 1.463 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 1530236092 QEQDGDNKVKDYDL-UHFFFAOYSA-N 402.394 1.582 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3csc(C#N)c3)CC2)c([N+](=O)[O-])c1 1533668096 RPIJHUCHXSWINQ-UHFFFAOYSA-N 420.472 1.894 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2=O)cc1 1538440097 OKGVWAAVCWALDE-GFCCVEGCSA-N 403.382 1.004 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C1Cc2ccccc2C1 1539093911 HURCTOCPZWLVIV-OAHLLOKOSA-N 401.536 1.905 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1539178227 FQRPIQUJGCEAGI-QWHCGFSZSA-N 409.537 1.462 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](F)COC 1539305353 YGZBEKZPOSSZAG-KRWDZBQOSA-N 418.494 1.796 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2cccn2)cc1 1539317348 AOBGKTXXWKLZSE-FQEVSTJZSA-N 413.485 1.926 30 10 HDEE C=CC1CCN(c2nnc(C3CC3)n2CCNS(=O)(=O)Cc2ccon2)CC1 1539884495 LTZJNUIPCLOSKQ-UHFFFAOYSA-N 406.512 1.666 30 10 HDEE C=CCCOCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOCC1 1540034063 VIQCDLIDPLGAKQ-UHFFFAOYSA-N 410.478 1.621 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)C)C1 1540198636 OGVDARCZKVBEAI-QZTJIDSGSA-N 404.559 1.988 30 10 HDEE N#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1ccc(Br)cc1 1540671918 CCHSEIFUOZESDS-ZDUSSCGKSA-N 410.249 1.797 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2)C1 1540890319 CQIHFTHGIVZDMA-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@H]2OC)C1 1540890844 KWVWBQLJXBFADK-WCXIOVBPSA-N 405.499 1.062 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSC)C1 1540892291 JEDGQFFAPFCPBM-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1541397157 AWRHTJSSADBAIR-QBHGPPCGSA-N 400.483 1.543 30 10 HDEE C=C(CO)C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1543416692 ONOBMXXSQCKXPN-UHFFFAOYSA-N 414.319 1.713 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2ccn(C)n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367683 FMDTYGWEIIOOIY-INIZCTEOSA-N 420.395 1.388 30 10 HDEE Cn1ncc(CNC(=O)OC(C)(C)C)c1C(=O)NCc1ccc(C(=O)NO)cc1 1556381816 JDDRXKAISGOQSK-UHFFFAOYSA-N 403.439 1.494 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@@]1(O)CCCOC1 1557327603 DLNMOHFQVFKCJO-JXFKEZNVSA-N 423.535 1.188 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc(Cl)c(C)c2)CC1 1558072931 HYAGUFVKAFAJJN-UHFFFAOYSA-N 413.927 1.419 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2CCCN2C(=O)NCc2cccc(Br)c2)C1 1558691751 QIPVEEDIUYJORJ-HNNXBMFYSA-N 406.280 1.330 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCc3nncn3CC2)c(=O)c1C#N 1558973407 QJUDBOKVJZKAJV-NSHDSACASA-N 405.256 1.414 30 10 HDEE O=C(CN1CCC2(CC1)C[C@@H](O)CNC2=O)NCC#Cc1cccc(C(F)(F)F)c1 1560195892 NMXNWMLEBRJFKE-QGZVFWFLSA-N 423.435 1.136 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)s1 1564400912 RFMPQRZKRLNCMH-INIZCTEOSA-N 404.517 1.673 30 10 HDEE N#Cc1c(NC(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)nc2n1CCOC2 1586254822 QPTLXTDNGAAVJN-UHFFFAOYSA-N 421.866 1.731 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1586326651 WGJLPHBEYNLENW-IBGZPJMESA-N 412.490 1.050 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1586901767 QQUPYSWRYVIVIH-UHFFFAOYSA-N 418.525 1.637 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1587865507 QMDDBOIGICWSFV-UHFFFAOYSA-N 419.526 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1ccc(OCCO)c(OC)c1 1588117478 JCPORJIGIMAGEO-UHFFFAOYSA-N 417.469 1.841 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(C)C 1588228402 FMONWCMGAHHIBF-SFHVURJKSA-N 406.552 1.706 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCn2ccnc2C)CC1 1588913245 DKDSTMIOTDJDKF-UHFFFAOYSA-N 406.494 1.444 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1593729705 NQVGCRHXNAXQCL-NRFANRHFSA-N 415.542 1.572 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@@H]1C 1593776998 SVGKRINNZIJXIO-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCn2cc(CO)nn2)CC1 1594247812 PSMUNFRNTZTAHJ-UHFFFAOYSA-N 408.510 1.840 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1594961799 FXXLPSOSPXADOR-INIZCTEOSA-N 413.507 1.431 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1594992548 KRAMMJZTZXTGCH-UHFFFAOYSA-N 404.559 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H]1CCOC1 1595537200 NJVZXJHFRWIBEL-AWEZNQCLSA-N 423.477 1.369 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1610045752 RXAIXJDLLZQIAY-NRFANRHFSA-N 407.478 1.200 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCS(C)(=O)=O)cc1C 1612144350 FLBFDSBALLIAMU-QGZVFWFLSA-N 419.507 1.247 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](C#N)c1cccc(Cl)c1Cl 1616309312 KADBBLJPRTVFOW-NSHDSACASA-N 415.258 1.543 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)OCc2ccccc2)s1 1618584495 BIRJMGDVBGFSGA-UHFFFAOYSA-N 408.501 1.615 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(F)(F)CO1 1619913936 VEEJKZJSQCBJRD-INIZCTEOSA-N 423.468 1.930 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3Cc4ccccc4NC(=O)[C@@H]3C)CC2)o1 1620386811 PCFXEDHSUFOPTJ-AWEZNQCLSA-N 408.462 1.346 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OC 1624256803 NMAMSNFINAMTEX-UKRRQHHQSA-N 420.462 1.689 30 10 HDEE N#Cc1c(CCCNC(=O)Cn2nnc3ccccc32)nn(-c2ccccc2)c1N 1624278036 QSNVLASTRFIPIJ-UHFFFAOYSA-N 400.446 1.820 30 10 HDEE COCC[C@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1626088109 WIWOJNSGJZOTAX-AEFFLSMTSA-N 403.479 1.906 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)c(F)c1 1626467412 UQJXSGBPAZTBKF-UHFFFAOYSA-N 412.830 1.554 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H]3CCc4cc(Br)ccc43)C[C@H]1CS(=O)(=O)C2 1626655604 IVVGKWVAOXNWKT-MJEQTWJJSA-N 409.305 1.876 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3c[nH]c4ccccc34)[nH]n2)CC1 1627015388 QJWPHUKMVVYLNW-UHFFFAOYSA-N 404.474 1.455 30 10 HDEE C#CCN(C)CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628820220 NAMNKNFBPVBDNB-QUCCMNQESA-N 421.563 1.005 30 10 HDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C 1629264302 BABGMBPJHMVFTD-KBPBESRZSA-N 409.508 1.804 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1631964338 LWTMYSXVFOLCCP-LJQANCHMSA-N 400.460 1.673 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]12COCCN1C(=O)OC2 1632441277 YPWKHZHXEKKIDA-YVEFUNNKSA-N 403.863 1.360 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCCO2)cn1 1634918202 BQOKIXZKBOYMTC-KNQAVFIVSA-N 422.489 1.398 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)nn1 1636330413 CHBOLYNCQBCZKU-UHFFFAOYSA-N 402.886 1.714 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)CCCOc2ccc(C#N)cc2OC)C1 1637068382 UDAQEOWHFCUOAF-CVEARBPZSA-N 405.451 1.291 30 10 HDEE COC(=O)c1cnc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)s1 1638456958 FLFPXNMIOBCCLI-UHFFFAOYSA-N 403.439 1.972 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1F 1639271683 VMHUZIVGOIRJQF-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)nn1 1639562188 WONIYVAKWYNCOY-YHUYYLMFSA-N 419.482 1.267 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cn1 1640012722 IRZAUHGWYMXQIC-ULQDDVLXSA-N 402.520 1.429 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3ncc(C#N)c4ccsc34)CC2)C[C@H](C)O1 1642059721 WLYHRSPGIHPACD-KBPBESRZSA-N 421.548 1.644 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1642506994 CWASBTFHQQGEAL-OIISXLGYSA-N 414.462 1.008 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1643588996 GZBWTRVXLCJEJP-MGPUTAFESA-N 421.881 1.953 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2Cc3ccc(C#N)cc3C2)cc1 1643724970 NPPBGMZOQUUSLL-UHFFFAOYSA-N 412.471 1.727 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](n3nncc3I)C2)cc1O 1644371495 AFAAIFWPFHAJRA-GFCCVEGCSA-N 423.214 1.937 30 10 HDEE C=CCCC[C@@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OC 1644819314 GZFMSSVZQDCTNL-SECBINFHSA-N 401.349 1.340 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)C1=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C1)C2 1648293712 QWLGFJXWTAIETL-OAHLLOKOSA-N 412.450 1.346 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3cccs3)CCOCC2)cc1 1648734548 RDFLKGXJRXEDPI-UHFFFAOYSA-N 405.501 1.720 30 10 HDEE Cn1c(=O)c2c(ncn2CCN[C@@H](c2cccc(C#N)c2)C(F)(F)F)n(C)c1=O 1654601123 NBGSJVJELSFHEN-AWEZNQCLSA-N 406.368 1.199 30 10 HDEE CN(CCC#N)C(=O)CCN[C@H](CO)c1ccccc1I 1655834106 CSVDQEXWIWSLIE-CQSZACIVSA-N 401.248 1.676 30 10 HDEE C#CC1(O)CN(CC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)C1 1656396810 KWWXHPPGGFHLHJ-UHFFFAOYSA-N 409.442 1.575 30 10 HDEE CC(C)C[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1663458397 CQLLRUZTSWIPFD-CYBMUJFWSA-N 418.288 1.995 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3c(nnn3C)C2)cc1 1667955822 FVUZTOLPSNMTDG-CQSZACIVSA-N 404.496 1.301 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CC(=O)N(CCC)C2)cc1 1667955851 GUHQQWBHCVRUBT-HNNXBMFYSA-N 408.524 1.873 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1(C2(O)CCOCC2)CC1 1676224739 GBAGFQDKSMZIMJ-UHFFFAOYSA-N 400.523 1.953 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1679332757 AYGNXNSURMCGQH-DLBZAZTESA-N 406.508 1.783 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1 1681516134 PNEJGHISSGTSKY-AOGUMVSFSA-N 400.504 1.749 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H](O)COc1ccc(I)cc1)C(C)C 1682897731 XIWLXOBADMNQQR-DZGCQCFKSA-N 416.259 1.988 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1689825810 CYSNPCYGXNKHEY-YQQAZPJKSA-N 405.524 1.734 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689917717 DSPIFATUKYVGGV-INIZCTEOSA-N 403.464 1.890 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689988911 YNRNIFCNUNRMEL-HZPDHXFCSA-N 419.551 1.436 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1689994044 PUFBOAUEVYFUCT-QGZVFWFLSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC1(O)CCC1 1690018127 UVFGYGRENKSNLM-UHFFFAOYSA-N 419.533 1.830 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1690061444 YQASHDQFALGFTJ-QFIPXVFZSA-N 417.554 1.643 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690181222 QRVSSQYAIUAOOX-CVEARBPZSA-N 407.540 1.007 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1690485488 UVVIAVMMVBQXST-HNNXBMFYSA-N 422.555 1.140 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)CC)C1CC1 1690541170 QILVYLNJBABOLX-UHFFFAOYSA-N 407.482 1.554 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1690672529 VJFXRUYZPHWGIX-UHFFFAOYSA-N 410.522 1.940 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCO 1691003715 KWOXEGNFHBQKDE-CRAIPNDOSA-N 401.467 1.785 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCOC2)CCOC1 1692595927 QNSRYBFDAFAQIB-FUHIMQAGSA-N 405.499 1.474 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)CCOCC1 1692779021 AUFOSUGJVCJTLO-SUMWQHHRSA-N 414.507 1.147 30 10 HDEE CCC(O)(CC)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1694412557 IBKXGLDOFOAZAJ-SFHVURJKSA-N 401.446 1.918 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cn1 1695786630 BGVZOEICURZQEP-HNNXBMFYSA-N 404.478 1.748 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1696498768 XEPZFYCFYOZJRJ-APWZRJJASA-N 424.571 1.632 30 10 HDEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1697991337 XYSQGAIOONKBTJ-KRWDZBQOSA-N 403.531 1.328 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCOCC(F)F)c1 1698484440 JIFQAEVVIWLWNR-HXUWFJFHSA-N 416.432 1.957 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCC(=O)N2)c1 1698486023 QYWOVOYIJVDCKK-CABCVRRESA-N 420.395 1.863 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1705566699 PLYZEIFVNPPFDX-QGZVFWFLSA-N 402.524 1.344 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1705568500 OSJOOXMUCFRFML-GVDBMIGSSA-N 410.540 1.256 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(N)=O)C1 1705708252 ZYFFHXJOOGQQSN-FPSMNIFISA-N 419.526 1.295 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)CCC)CC1 1705900219 UVCBWWCEYFNCEU-UHFFFAOYSA-N 411.510 1.527 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1705907075 ZEENOMYVVFWVBK-INIZCTEOSA-N 410.478 1.646 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1710994432 HQMFYEOMVUFLTP-ARFHVFGLSA-N 415.523 1.322 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1722322935 YUJYDMIQKGYDTC-UHFFFAOYSA-N 421.505 1.285 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1722368343 QDIFNEQKERUEEY-QGZVFWFLSA-N 403.483 1.755 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1722381580 DTYZGYFGFIDATQ-INIZCTEOSA-N 417.560 1.531 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ncnn2C(C)(C)C)n1 1722427082 FUXLJPQGXMILGL-UHFFFAOYSA-N 411.514 1.464 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1722456291 WFSGFGXNPXTHBP-KBPBESRZSA-N 410.569 1.303 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1722460350 XJEQNRKOJREENF-MRXNPFEDSA-N 418.567 1.533 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1722673824 FSILUEWQZCJBFL-OXQOHEQNSA-N 407.515 1.393 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1723769008 HWHBQZGJIBDHIY-LLVKDONJSA-N 418.303 1.961 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1729125231 UFMSLURURWBYQG-JKSUJKDBSA-N 409.556 1.983 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1729698118 BVFBPNNTECYZEE-OAQYLSRUSA-N 409.494 1.257 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCO[C@@H]1C(C)C 1730953758 ALQZRNVTCVCEHT-ZRSRNVLSSA-N 419.526 1.792 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1740629627 UKURDBPFVJSVJM-HXUWFJFHSA-N 400.552 1.024 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC)c1 1740635480 OXKSBZHUFDLCOB-UHFFFAOYSA-N 412.461 1.258 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC(N)=O 1740716839 BIEYIQLANHHXSL-RHSMWYFYSA-N 415.519 1.857 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1740932421 NICOJPGSKIONSW-QGZVFWFLSA-N 417.535 1.589 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCN(C)C1 1740942307 LAAQAKFZMLMUSD-HMFYCAOWSA-N 421.586 1.902 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740995132 ARGGIKKGUJINJX-CQSZACIVSA-N 415.523 1.512 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)F 1741134595 DUTATEIVTMURQG-LBPRGKRZSA-N 410.400 1.973 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1741801426 APOPOZXZNKZRON-UONOGXRCSA-N 420.543 1.313 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCOCC2)n1 1742333515 YRQQHMVCZRKXLU-GOSISDBHSA-N 411.510 1.490 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(C)COCCO1 1744696536 FHPANXLBWNNKAX-MGPUTAFESA-N 412.498 1.023 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1747453264 QRGXIADKMCRQTQ-KRQILSMLSA-N 412.519 1.300 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCCN(C)C)c1 1748638238 LMASGALHUJUDFM-KRWDZBQOSA-N 412.538 1.863 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)NC)C1 1748697316 FORSJAYGDZFKFV-MRXNPFEDSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1748753929 ZNWPOGPRVDIKFL-UHFFFAOYSA-N 424.524 1.822 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccs1 1748959469 UQMBVDZCTNNVRS-UHFFFAOYSA-N 411.491 1.313 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccnc2OCC)CC1 1748990780 KVKBOQDLOHDNAR-IBGZPJMESA-N 410.522 1.769 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C)no2)CC1 1749000325 ROKBEIKJSISVLW-UHFFFAOYSA-N 422.489 1.966 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749210644 KXLOLCCRBYOZIA-IYBDPMFKSA-N 416.482 1.368 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749218021 GKJJHNBAVLQBHH-SFHVURJKSA-N 407.478 1.623 30 10 HDEE COC[C@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1 1749353237 QQPVLXHQKSLHFO-VXGBXAGGSA-N 413.251 1.749 30 10 HDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749725635 MKQLVTPLOANRBA-LJQANCHMSA-N 423.521 1.460 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1750383015 NSSBXYOSVMXZMH-AWEZNQCLSA-N 415.404 1.650 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1760122849 SWGPVUNRTGHJDA-UKRRQHHQSA-N 414.535 1.642 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1760156960 ZJXAXGGYXYEMDG-KRWDZBQOSA-N 402.545 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1C 1760242424 CPOQZBXTQSAURE-KRWDZBQOSA-N 419.551 1.639 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCn3ccnc3C2)CC1 1760265122 OKGNTAUWZVNUQV-KRWDZBQOSA-N 409.538 1.826 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760275201 RYHVOXSYNPIDHV-HUUCEWRRSA-N 404.540 1.631 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1760296938 AMOKXJWWXVSZIA-HXUWFJFHSA-N 420.579 1.943 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)CC1 1760359812 LIWASGONQKNASB-UHFFFAOYSA-N 423.564 1.431 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760415365 WPXNWDHGRGIVID-HNNXBMFYSA-N 411.572 1.872 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760438830 OMTLUAHOTMCZGI-ZBFHGGJFSA-N 414.514 1.770 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1760495448 ODHXBBXWIQZTTB-SJORKVTESA-N 423.539 1.482 30 10 HDEE C=CCn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760513458 YAZDWNSDVXOJOP-SIKLNZKXSA-N 418.586 1.721 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CC(=O)NC)CC1 1760523209 PNTXCZBPKCBWRU-UHFFFAOYSA-N 411.510 1.303 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1760525453 GVBIGMIWCHCKKN-HIFRSBDPSA-N 424.427 1.722 30 10 HDEE CC(C)c1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1Cc1ccc(C#N)o1 1760908303 GZIMCZDWDNMFRB-FQEVSTJZSA-N 411.466 1.729 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCOCC2)CCOC1 1761273880 IZMHFMOWZOWBIR-JXFKEZNVSA-N 407.515 1.599 30 10 HDEE CN(C(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1768417295 BEYNYRJMISZHRG-HXUWFJFHSA-N 412.473 1.968 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1768932530 SJOSKWYRORDQTE-OAQYLSRUSA-N 407.478 1.955 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 1770342578 DQVMXFFULLKCNV-KDOFPFPSSA-N 419.486 1.064 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCSCCCO)CC1 1771538655 QZPSFLNHGDCEFR-UHFFFAOYSA-N 406.556 1.646 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCC(CO)CC1 1771564319 FPTJNTMJIYOLSO-ZZEZOPTASA-N 423.477 1.075 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(C#N)CC3)n(Cc3ccccc3)c2n(C)c1=O 1849874129 MNAFSHBVTIPIDD-UHFFFAOYSA-N 405.458 1.463 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 1850078416 OESVEPZFMYHSON-UHFFFAOYSA-N 419.547 1.317 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)CCCn2c(=O)n(C(=C)C)c3ccccc32)NC1=O 1851609792 LMNKUVYYULOYOA-UHFFFAOYSA-N 409.446 1.395 30 10 HDEE CN(C(=O)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1)c1ncccc1C#N 1851613487 KDOUOPQLPWALLN-GOSISDBHSA-N 404.536 1.985 30 10 HDEE C=CCN(C(=O)Cn1ccn2nc(-c3ccc(F)cc3)cc2c1=O)[C@@H]1CCN(C)C1=O 1852008725 JUZNPQKJXNUUBK-GOSISDBHSA-N 423.448 1.547 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(C)cc1 1852493274 PGEWSBXSHFZBLA-UHFFFAOYSA-N 402.462 1.762 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CSc2ccc(OC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854241447 OASDFJDUAKARTB-MSOLQXFVSA-N 417.531 1.634 30 10 HDEE Cc1noc(C)c1CC(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854291544 NQNVSTHHLLAAQX-GOSISDBHSA-N 409.446 1.381 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)c2cccc(C)c2n1 1854783482 FOWGNGBSJVNPTR-CQSZACIVSA-N 400.460 1.378 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855737618 HOZFGSADPQAODR-BBRMVZONSA-N 407.467 1.835 30 10 HDEE Cc1ccccc1N1C[C@H](C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)CC1=O 1855854813 XDESKFVBMPMNKB-RTBURBONSA-N 408.502 1.959 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CCN1CCC#N 1856193488 PHNKQRFJEGUTNE-AWEZNQCLSA-N 411.911 1.867 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@@H]4CCCCO4)C(=O)C3)C2)s1 1856292710 ZPJZFYAVWWLXSJ-SJORKVTESA-N 416.547 1.824 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1=O 1856389046 KKPYTVSDNMUZCH-QGZVFWFLSA-N 409.483 1.743 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856531806 LVCWYZHXYDBCHX-AEFFLSMTSA-N 404.474 1.849 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)cc1 1856548280 KTKOXPDLLMAGOJ-WMZOPIPTSA-N 415.515 1.522 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(C(C)=O)s2)C1)[C@@H]1CCN(C)C1=O 1857263820 JIYLKANNRLXCQW-LSDHHAIUSA-N 403.504 1.658 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@@](F)(C(=O)N(C)C)C3)CC2=O)cc1C#N 1857354919 COGBMCYHQNXQME-BTYIYWSLSA-N 400.454 1.358 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)c3ccccn23)cc1 1858242346 WWWIZUFJQXDDJA-UHFFFAOYSA-N 402.414 1.372 30 10 HDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CC)cc1=O 1870385032 DWKYNQGBNHOCME-UHFFFAOYSA-N 405.520 1.951 30 10 HDEE C#CCOc1cn(CCCCCCO)c(CN2CCC3(CC2)OCCO3)cc1=O 1870562838 YHJILJGZSIRZNQ-UHFFFAOYSA-N 404.507 1.752 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCCCN1C(=O)c2ccccc2C1=O 1872638210 UZAFDRCQOGMXGK-UHFFFAOYSA-N 410.430 1.878 30 10 HDEE CCCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872650105 XOARBQIZLDRNTC-UHFFFAOYSA-N 403.464 1.968 30 10 HDEE CCCc1nnsc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889960139 VDQAFXZQYILTIR-UHFFFAOYSA-N 405.568 1.363 30 10 HDEE CCOc1cc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)ccn1 1890039007 BTCMBONXVOLYQF-UHFFFAOYSA-N 414.550 1.742 30 10 HDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)co2)no1 1890835692 YULQAKAEQDMOCI-CYBMUJFWSA-N 408.374 1.784 30 10 HDEE C#CCNC(=O)CCNC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1988006778 CVBXVDVILNNPQG-UHFFFAOYSA-N 416.522 1.269 30 10 HDEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn2c(N)c(C#N)c(SC)nc12 2080830949 NAPNUKYNJXXMSS-UHFFFAOYSA-N 419.425 1.200 30 10 HDEE CC1(C)OB(c2cnc(N3CCSC[C@@H]3S(C)(=O)=O)c(F)c2)OC1(C)C 2172702814 AVDXVHONMVZJAX-ZDUSSCGKSA-N 402.322 1.444 30 10 HDEE CCOC(=O)[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)CCC#N 2174779075 FISOKDPHGYCYRW-KBPBESRZSA-N 403.501 1.398 30 10 HDEE Cn1ncc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)c1I 2245245247 HLEFPHFAQIYKNQ-UHFFFAOYSA-N 417.056 1.942 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2248413278 UXYUKKABYANBEI-UHFFFAOYSA-N 421.347 1.680 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[S@](=O)CC3)c2)OC1(C)C 2267413191 XKLPQPAKLDJOAC-DEOSSOPVSA-N 405.372 1.190 30 10 HDEE CN([C@@H]1CC[C@@H]1N)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704466 OAYBGWJDHFCHQF-WDEREUQCSA-N 406.766 1.811 30 10 HDEE N#Cc1cccc(Br)c1N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2269701549 LPNYBFLJOHOZIF-VHSXEESVSA-N 419.201 1.679 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2281944694 SRUZLKFCCAKHMZ-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CN(CCN(C)S(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281972046 KQGPQTCULKDEED-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE CCc1nc(C(=O)N=[S@](C)(=O)CCNC)c(B2OC(C)(C)C(C)(C)O2)s1 2282032591 IARDKNATVGTYRW-AREMUKBSSA-N 401.363 1.462 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCO[C@H]3CC3(F)F)s2)OC1(C)C 2282341015 MNJIKQULIUSQRD-JTQLQIEISA-N 409.285 1.750 30 10 HDEE CC[C@H](N)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282489576 HFADIIYQOFHGCR-ZDUSSCGKSA-N 402.753 1.997 30 10 HDEE CC[C@H]1CNCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495191 JBGHKNLYRDPCNJ-GXTWGEPZSA-N 400.375 1.714 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282589862 UCMLJAKGKRJUJN-LBPRGKRZSA-N 401.359 1.990 30 10 HDEE C[C@H](CCCCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839142 ZNJDHHIQOHDVAX-GFCCVEGCSA-N 404.363 1.413 30 10 HDEE C[C@@H]1CC[C@H](CN)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856209 OZCODUMIPKDRMM-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE C[C@H]1CC[C@H](CN)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282878442 GEVFSOVQXCQSDQ-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CC[C@H](CN)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881755 BTNJSHXONONRPJ-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@H]2C(=O)O)OC1(C)C 2284397240 KFMQBBIYFLKZAE-LBPRGKRZSA-N 401.677 1.487 30 10 HDEE CC[C@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402017 GBSBRNSSCKGMJA-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](C(=O)O)C3)cc2Cl)OC1(C)C 2284404164 WYCJJAPHIONKEV-SECBINFHSA-N 421.733 1.796 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@H](CC(=O)O)C3)s2)OC1(C)C 2284416354 XALBVXTVSZYIDH-XYPYZODXSA-N 401.315 1.579 30 10 HDEE COc1cc2c(C=Nn3c(SC)nncc3=O)c(C(=O)O)n(C)c2cc1OC 2321661005 RVTINZBWAPUZAL-UHFFFAOYSA-N 403.420 1.450 30 10 HDEE COC1(C#C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363526285 KBVZAGMWMCCLTC-JKSUJKDBSA-N 401.525 1.638 30 10 HDEE COC1(C#C[C@@H](N)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CCCCC1 2363630177 RXFWWROYMMYANF-BEFAXECRSA-N 400.541 1.748 30 10 HDEE CN(Cc1c(Br)c(Br)nn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c1scc(C(=O)NC(C)(C)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369523519 DCBKCWNHGVTLJN-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370297684 QVROJJDOJOMZES-ZIAGYGMSSA-N 400.412 1.781 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CC)CCC(=O)O)C2=O)cc1 96573483 TZYIDMQKZNVMJS-NRFANRHFSA-N 417.462 1.732 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 138406735 NNVNELHCJVCFET-ZDUSSCGKSA-N 410.858 1.462 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@@H](CO)OC[C@H](CO)OC(CO)CO 263584323 PVPULAXNWFILAK-UXHICEINSA-N 422.559 1.559 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 410067064 JDRMCXZTAXCJKU-HIFRSBDPSA-N 417.325 1.655 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N(CCO)Cc1cc(Br)cs1 428375209 RQLLBUWLZTYRRU-UHFFFAOYSA-N 402.295 1.960 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc1OC 439903614 PRIPFEFDFJMMRB-DFEHZGFQSA-N 403.431 1.825 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 441022457 MJSJCQVQPXICMA-UHFFFAOYSA-N 409.512 1.637 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H](C)[C@H]3Cc4ccccc4O3)CC2)o1 441049917 WRQPVWMVAWRVSC-MGPUTAFESA-N 409.490 1.827 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC1 474701218 DGSIOYFZBXGVHJ-HXUWFJFHSA-N 402.514 1.627 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cn2cc(Cl)ccc2n1 480422982 YYUWBWZFCOPZHW-LBPRGKRZSA-N 417.878 1.843 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](NC(=O)CC)C2)c(C#N)cn1CCOC 481462150 GTBLXMRYFZBZKK-HNNXBMFYSA-N 419.482 1.705 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 485050427 DHSXCPKJMJFCAE-OAQYLSRUSA-N 424.461 1.182 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@@](O)(C(F)(F)F)C3)C2=O)cc1 487165418 RDDQDQCTROLEIM-QAPCUYQASA-N 410.396 1.758 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](CC)c2nnc3n2CCCCC3)CC1 489463608 NDKWEAGGFMYRKQ-INIZCTEOSA-N 403.531 1.085 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 498330452 QQQKRBLHTUDFAG-UHFFFAOYSA-N 423.498 1.993 30 10 HDEE CC(C)c1nc(N(C)C)nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 502405869 BCGMTIRDRRWGHA-UHFFFAOYSA-N 415.523 1.444 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[S@](=O)C(CC)(CC)C1 509000732 UUCWWZLJNJBOME-SHZVTRLKSA-N 403.574 1.202 30 10 HDEE C[C@H]1CCCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512169650 IOZCKCLQPBOPQM-KRWDZBQOSA-N 404.536 1.656 30 10 HDEE CC(=O)c1csc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 517346767 XXUCDTZUEMYZDO-UHFFFAOYSA-N 403.485 1.969 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N(CCC#N)Cc2cccnc2)c1OC 552461774 OMKBSCLXPKLCIT-UHFFFAOYSA-N 419.459 1.990 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)NCCN1CCOCC1 580058057 SYIONWXVVLCLKJ-ABSDTBQOSA-N 416.522 1.305 30 10 HDEE N#Cc1nccnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@@H]2CCCC[C@@H]2O)n1 585608753 HPYFYEIZJRTPKE-JQHSSLGASA-N 409.494 1.852 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 597102651 PDFCUCHRKWNNII-IBGZPJMESA-N 415.515 1.580 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cn(C)nc1-c1ccccn1 610815345 NSJDVYCCTQQQRX-CYBMUJFWSA-N 410.459 1.659 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 642708319 AEJAQXDDESLTOK-INIZCTEOSA-N 419.530 1.982 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669815010 NRVOECZACYSARE-UHFFFAOYSA-N 412.498 1.134 30 10 HDEE N#Cc1cccnc1N1CCN(C(=S)NCCc2ccc3c(c2)OCCO3)CC1 726748569 YOUILWZQNOOASU-UHFFFAOYSA-N 409.515 1.964 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccc3c(c2)OCO3)sc(=Cc2ccoc2)c1=O 727416315 FBVMGVKHARZUIN-UHFFFAOYSA-N 406.419 1.803 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1OC 729430039 SJBCVRQWXUBOOO-DYDLGINISA-N 414.462 1.885 30 10 HDEE CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cnn3ccccc23)c1=O 729670056 HWMBIVKYJGHJHH-UHFFFAOYSA-N 415.478 1.719 30 10 HDEE Cn1ccnc(N2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CC2)c1=O 745990004 AOAJLWOQSMYYJR-INIZCTEOSA-N 415.457 1.140 30 10 HDEE N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)cn1 746392174 VFPZAFWEELJBPH-AWEZNQCLSA-N 423.408 1.940 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)Nc1ccn(CCS(C)(=O)=O)n1 754814350 COAJHAOHUFIGFG-OAHLLOKOSA-N 419.507 1.684 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1 758193832 RMCAEMIEUJANHA-HNNXBMFYSA-N 418.906 1.655 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[C@H](O)COC(C)C 762855787 XTPUJHNCESGGSH-VFNWGFHPSA-N 402.447 1.481 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CCN1C1CC1 766551631 FFDGRXHGPWRDEZ-WFASDCNBSA-N 405.861 1.966 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 772945839 ZHHZDAQGXILSFC-HOCLYGCPSA-N 407.492 1.195 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 773214607 YOCBSDIKJHHZRO-ICSRJNTNSA-N 419.547 1.664 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 777351286 MORFRYSIRRTIBZ-UHFFFAOYSA-N 401.444 1.580 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CCN1C1CC1 780775940 HRQXAPIWTONFQN-LBPRGKRZSA-N 423.438 1.341 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)NC(C)=O)cc1 781602033 PCQGSRMRQLYLDH-QGZVFWFLSA-N 419.434 1.778 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(CCCn2ccnc2)CC1 783218978 ABHYXYPPLFUAFI-VHEBQXMUSA-N 400.483 1.611 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)n1 788818906 SLZQPARNGVUDGB-GOSISDBHSA-N 424.501 1.943 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CCC(=O)Nc1cccc(C#N)c1)S2(=O)=O 790033593 YQKWUNIKKSAGQN-UHFFFAOYSA-N 415.427 1.749 30 10 HDEE C=CCN1CC[C@H](OC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)C1=O 798586918 SNMLBPBJWRCHPZ-CABCVRRESA-N 411.480 1.022 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)c1 803847821 UWQJFEAFORPDDS-UHFFFAOYSA-N 420.469 1.850 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)(C)C 807878275 KHCOOWPUQLDGGI-SJORKVTESA-N 408.520 1.880 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812192737 NTGPXNONLWYJHX-QGZVFWFLSA-N 417.535 1.702 30 10 HDEE C#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 813255921 VXFIQGCFMKTDLV-KRWDZBQOSA-N 422.503 1.941 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)OCc1ccccc1 814286261 DWDRSKBGXODPFW-SJCJKPOMSA-N 408.863 1.983 30 10 HDEE Nc1nc(Cl)c(C=NNc2c(F)c(F)nc(F)c2F)c(N2CCOCC2)n1 874072873 BXEUKFFQKBQFDM-UHFFFAOYSA-N 405.743 1.946 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cc1nc2ncccn2n1 919147744 BDCJPQDFZNCMOK-CQSZACIVSA-N 408.418 1.554 30 10 HDEE COc1ccc(OC(=O)CSc2n[nH]c(NN=Cc3cn(C)nc3C)n2)cc1 1083977780 BSUBROPCIKISAI-UHFFFAOYSA-N 401.452 1.999 30 10 HDEE C=CCNC(=O)CCSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1083998313 CKGLMKSDQRRVGU-UHFFFAOYSA-N 420.411 1.852 30 10 HDEE COC(=O)[C@@H](OC(=O)Cc1ccccc1NS(C)(=O)=O)c1ccc(C#N)cc1 1118944543 JUNGBONVSYHXIL-SFHVURJKSA-N 402.428 1.930 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cnc21 1126948363 QSLLIIFYFQZTJZ-ZDUSSCGKSA-N 400.439 1.055 30 10 HDEE C=CCn1cc(CNC(=O)CCn2cnc3ccc(Br)cc3c2=O)nn1 1129930993 ZMOPJOCVWDUGLP-UHFFFAOYSA-N 417.267 1.643 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1132452766 WOHFDZPBNIEFOA-UHFFFAOYSA-N 411.455 1.142 30 10 HDEE C=C(C)C[C@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1133157445 MJHXSTRUUCHJTR-OCCSQVGLSA-N 400.522 1.602 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1138417439 KPCAPTMHMLULPW-INIZCTEOSA-N 403.464 1.687 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)CC1 1140133023 TYBQGSKXGCRZCH-SFHVURJKSA-N 407.392 1.287 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](OC(=O)N(C)C)C2)cc1S(=O)(=O)NCC#N 1141109702 CLHLAZSGUDMNHX-HNNXBMFYSA-N 408.480 1.100 30 10 HDEE C#CCN(CC(=O)Nc1cccc(C(=O)N2CCOCC2)c1)C(=O)OC(C)(C)C 1141780970 FVXPHAMGHGSGHD-UHFFFAOYSA-N 401.463 1.968 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)c1 1143355644 UFSFBLLKXXQDLN-UHFFFAOYSA-N 416.503 1.578 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2NC(=O)C[C@@]23CCN(C(=O)OC(C)(C)C)C3)c1 1146569776 HPPLYIPDBPUGBO-OAQYLSRUSA-N 413.478 1.881 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[S@@](=O)c1ccc(Cl)cc1 1150868795 BJDCCHIGMBUHIJ-PFUSGODGSA-N 403.895 1.847 30 10 HDEE C=C[C@@H](O)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1156813167 YHDFPBMQSXAFRS-GXTWGEPZSA-N 403.298 1.265 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)COC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1157759562 BPIYRPFZXFTODE-UHFFFAOYSA-N 409.483 1.708 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCOC[C@]2(CO)C1 1176524811 VALUDFGPLUHDOI-OXJNMPFZSA-N 404.536 1.398 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1178855349 GVBLZDDDYOUKDM-HXUWFJFHSA-N 409.483 1.444 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1 1197603924 YBGAIPFMNRGXJG-MXEMCNAFSA-N 415.534 1.624 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1222339691 JFXQSDGVIAXIGE-HNNXBMFYSA-N 411.549 1.509 30 10 HDEE COc1ccc(CNC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1C#N 1254695102 PWZWTTNPSCTPOT-NEWSRXKRSA-N 414.506 1.908 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)C1 1255363519 KVMHNOWPIOINAU-MSOLQXFVSA-N 408.543 1.487 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286322273 AVOUHAPDBKZRGD-IRXDYDNUSA-N 409.556 1.793 30 10 HDEE C#CCCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1286336561 YVPKAOZDMZMSBR-FQEVSTJZSA-N 424.567 1.747 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1286376765 NQTVNZCRXTXAIZ-MAUKXSAKSA-N 416.503 1.685 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C)CCOCC2)CC1 1286495019 XEPGNSDVUJACPC-GOSISDBHSA-N 415.538 1.565 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1286507798 CFRDAGAIQSDZBF-QAPCUYQASA-N 411.487 1.886 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)CC1 1286663657 OLTZXLUNQMEDMT-INIZCTEOSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)(F)F)C1 1286781625 VXBGUCNWLHUAHU-GFCCVEGCSA-N 402.421 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CC3)C2)nnc1[C@@]1(OCC)CCOC1 1286824746 HTLVSBITQITLPV-HXUWFJFHSA-N 424.567 1.911 30 10 HDEE CC(C)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1288010269 SPUUXIHWSSRUJB-GOSISDBHSA-N 423.521 1.538 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1290977534 BCPTYVPJSOJWSJ-HNNXBMFYSA-N 414.535 1.599 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1297622374 RXZGTIOPKRYGAU-GOSISDBHSA-N 406.891 1.641 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)C[C@@H](O)Cc2ccccc2)s1 1298677608 ZLTJELWIPFZZFL-INIZCTEOSA-N 408.545 1.817 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1300421411 GFCYGOSJSUDSRX-UHFFFAOYSA-N 400.527 1.555 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(N2CCOCC2)nc1 1300468257 WVCQMJXMKIFFIE-UHFFFAOYSA-N 423.546 1.983 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300488063 OLJRZJQWIPYFLT-INIZCTEOSA-N 403.508 1.128 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)CCC 1300520475 KSBZZQVDHGOTQD-OAQYLSRUSA-N 404.478 1.545 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2)C1 1300733332 VBHCCWVOZRAEMD-QGZVFWFLSA-N 404.584 1.847 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1301270582 JFBLLPZNEILPCJ-RXVVDRJESA-N 407.559 1.909 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC1CCCCC1 1301412571 DEYRWHQKMJWKDT-UHFFFAOYSA-N 418.542 1.602 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(=O)NC1CCCCC1 1301422746 VTPLCYHWLRZNHL-UHFFFAOYSA-N 401.515 1.766 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1301424180 IBSXKRSPQBFFGY-INIZCTEOSA-N 407.515 1.441 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CC(=O)NC(C)(C)C 1301482682 AFDWGYAHGVJMIU-UHFFFAOYSA-N 414.510 1.607 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCn2nc(C)nc2C1 1301509163 BDDRGVFPSAKNFR-UHFFFAOYSA-N 406.494 1.286 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1301556434 HMYSLTGBCNRFAW-HOTGVXAUSA-N 410.540 1.267 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1301596019 FKDJKMQKJZPVLO-UHFFFAOYSA-N 421.571 1.330 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(O)nc(C3CCC3)n2)cc1 1301755722 VUXNFJXTRWEAFS-UHFFFAOYSA-N 402.476 1.844 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCOCCCO)cc1 1302989372 MHIFSZZUMVAJPF-UHFFFAOYSA-N 410.478 1.027 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1309797280 HDVPQDBNXNJMAY-UHFFFAOYSA-N 419.272 1.226 30 10 HDEE C[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H]1O 1316481780 LNPIFHSHNLFLBJ-CJNGLKHVSA-N 407.434 1.645 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1325200148 KOKFOEWZMBWTNP-UHFFFAOYSA-N 405.345 1.162 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCn2cncn2)c1 1358901353 IGTFFARBRNWOHN-UHFFFAOYSA-N 415.461 1.621 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358955633 QBHFMIXVVGIFFE-HNNXBMFYSA-N 407.540 1.233 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1 1358975404 PJRLXXPFKFYDCC-FQEVSTJZSA-N 405.550 1.687 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1359076872 NUXSYHQGQFKMGK-WDEREUQCSA-N 408.322 1.022 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359207380 JAABJTUDMFAITQ-BBWFWOEESA-N 404.515 1.572 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359306479 HNYOQQRYEXQZDD-JKSUJKDBSA-N 415.498 1.582 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1359435511 YOTAFLPAEFNCHW-OAHLLOKOSA-N 406.450 1.601 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 1435321069 CCBLDDRWQGZSQU-UHFFFAOYSA-N 410.459 1.701 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1436930506 HZHOTAJPHKTFRT-UHFFFAOYSA-N 414.491 1.053 30 10 HDEE CS(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1I 1439405335 ZSTPWSBDMKSOOJ-LBPRGKRZSA-N 419.244 1.525 30 10 HDEE C/C(=C/C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)CN1CCOCC1 1441670012 WBVQKNPSYNNAPC-IGDIGQJZSA-N 420.535 1.716 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CN(C)CCN1C 1444414882 QCNAARZLLRCPLE-MXRKVYHMSA-N 419.570 1.524 30 10 HDEE C#CCn1cc(CNC(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])cn1 1448875294 NJJUIVXUOVDKKB-UHFFFAOYSA-N 406.240 1.940 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCC[C@@H]1COC(=O)N1CCCC1 1449225333 RJUIRMGNARSZLR-AMGRQBIBSA-N 404.467 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@H]3CCCN(O)C3=O)nn2)CC1 1450274810 XEWFLJPYGVSTOR-KBPBESRZSA-N 422.486 1.350 30 10 HDEE CCOc1ccccc1[C@H](CC(=O)N1CCC(C#N)(C(=O)OC)CC1)NC(C)=O 1460025042 AAISGEOAKGGKOC-KRWDZBQOSA-N 401.463 1.958 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2C2(O)CC2)CC1 1460211474 NRTWWVSHGIDORC-WOJBJXKFSA-N 400.498 1.914 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462721617 MBUBPJJTGOZMOZ-QRTARXTBSA-N 419.865 1.791 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)cc1 1463078725 IYYLFKFLSYJCIF-UHFFFAOYSA-N 403.548 1.623 30 10 HDEE C#CCN1CCC(NS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)CC1 1464588996 HAVFXLZZOFMKEZ-LJQANCHMSA-N 423.966 1.962 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CCCOC1 1466310370 NJVNVQVYHKRRCF-QGZVFWFLSA-N 415.874 1.632 30 10 HDEE C[C@@H](CC(=O)N1CC[C@@H](O)[C@H](C2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1468905914 GJJLHLNHJLKOBE-JCGIZDLHSA-N 419.547 1.903 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cs1 1469595874 AYPBXIFUQVLKNU-SWLSCSKDSA-N 422.532 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)CCn2cc(C#N)c(O)nc2=O)C2CCC2)C1 1469910136 GIKZAXVBICIMLU-UHFFFAOYSA-N 417.466 1.211 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1471630782 XREAUHZASQRUTQ-UHFFFAOYSA-N 406.552 1.391 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)C1 1471832838 KGNULAYLMHYHEL-WQEUXLNQSA-N 408.502 1.004 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCOC3=O)CC2)c1 1472149666 XRSJMRMTOIPSMS-UHFFFAOYSA-N 405.476 1.045 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)CC1 1477058760 CEMYJCOLAGGHKH-CQSZACIVSA-N 416.469 1.706 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCCc2cc(OC)c(O)c(OC)c2)CC1 1479048921 SBNMAPXPPODYLQ-UHFFFAOYSA-N 405.451 1.830 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1ncn(C)n1 1507643469 MWPKHCGMTKLBCS-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1507710945 MQPAJIFVFZUNFW-HNNXBMFYSA-N 423.564 1.388 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1507753999 TUHMFPNBAYRLBH-CQSZACIVSA-N 403.556 1.324 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@@H]1C 1507773106 ZESDXBWVIADENA-ZVVDCOBXSA-N 417.554 1.715 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(C)C)CC1 1507847417 MCZARKCXXBWOLA-UHFFFAOYSA-N 404.559 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C 1508073850 MTPMEKAUQULZED-UHFFFAOYSA-N 404.902 1.862 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCO2)nnc1[C@@]1(OC(C)C)CCOC1 1508096702 CAPFGQWJORZGSW-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1508406081 JOAWDWFSLDZWLX-HZPDHXFCSA-N 402.499 1.653 30 10 HDEE CC(C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCS(=O)(=O)N1CCSCC1 1508957630 GZUHAXBDVZVLGF-INIZCTEOSA-N 416.548 1.222 30 10 HDEE C[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1512282812 APTZMRVYPSMAGG-HNNXBMFYSA-N 400.508 1.698 30 10 HDEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1512292155 RBZVLLWOSDQQQK-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@H](C)C#N 1519353001 CLLQGBVWKVNOCJ-NVXWUHKLSA-N 400.483 1.846 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1519357608 RLLFPUYHFIRGDF-LJQANCHMSA-N 422.493 1.625 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)c2ccc(Br)cc2C#N)[C@H](C)C1 1520929204 IATMMADGKLGNGC-LLVKDONJSA-N 400.298 1.817 30 10 HDEE COc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cnc1Br 1523981525 WFTREJISNGOJLG-UHFFFAOYSA-N 407.228 1.536 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1c(F)cccc1-n1cccn1 1525887810 CLDZROADRNOYBQ-UHFFFAOYSA-N 413.434 1.366 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1529533723 HUFLANUSWKJUQH-HIRMHNASSA-N 408.520 1.805 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1531928279 PGRUSWVXDPLBFY-JOCHJYFZSA-N 417.554 1.973 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 1534003537 VMLXREYYYSSQII-CALCHBBNSA-N 417.487 1.383 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3c(C)nn(C4CCOCC4)c3C)CC2)c1C#N 1537403396 VDVMMGQWJIVERU-UHFFFAOYSA-N 411.510 1.727 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1539112268 LDTRKOYADOCHCI-GOSISDBHSA-N 409.538 1.820 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C)nc2)CC1 1539482101 RDBAKLSWRHOHTM-HXUWFJFHSA-N 422.533 1.890 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540036374 MMGXTSQNCYHQKS-PKOBYXMFSA-N 400.527 1.941 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1540056543 KYCQFKMJYIKMLN-UHFFFAOYSA-N 420.358 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](COC)C1 1540904208 JZENUQNEFYPWLY-GOSISDBHSA-N 419.551 1.728 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1nccs1 1541925750 HOHSYIWTTATBEI-ZDUSSCGKSA-N 423.568 1.718 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCCc2nc(O)c(C(N)=O)cc21)C(=O)OC(C)(C)C 1543368316 FLBOIZXFIOLXKF-AWEZNQCLSA-N 402.451 1.250 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnc(O)n2C)c1 1544608616 SJZNZGZWLIDWQR-LTGZKZEYSA-N 405.480 1.971 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1547312980 GURODACQURENJT-CVEARBPZSA-N 410.434 1.409 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)CC1 1554682545 FDIAIAGFDLXEBO-FQEVSTJZSA-N 407.482 1.784 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1554927338 GILLOQQPVXTDLL-INIZCTEOSA-N 414.466 1.211 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCCC2)C1 1555808432 AKFCYXWBYJEUNV-MRXNPFEDSA-N 400.508 1.698 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc(F)c(C#N)c(F)c3)C2=O)cc1 1556501196 FELUVFREOUJBNA-IBGZPJMESA-N 400.341 1.957 30 10 HDEE CCOC(=O)[C@@H](F)C1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556778207 XNHUIKHICHPLMC-RDJZCZTQSA-N 416.409 1.123 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1=O 1558463996 CDTCQRZODUCZKD-SLFFLAALSA-N 424.549 1.689 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2cccc(CNc3ncccc3C#N)c2)C1 1558733591 AJBJORZSORVXNG-OALUTQOASA-N 423.473 1.744 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC)c(OCC)c2)CC1 1562122158 QNNIJPBDXRKGNT-UHFFFAOYSA-N 410.496 1.101 30 10 HDEE Cn1cc(CNC(=O)NCC[C@H]2CCCS2(=O)=O)c(-c2ccc(C#N)cc2)n1 1564544094 AJOVMUWHGKEEQX-QGZVFWFLSA-N 401.492 1.725 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C#N)cn1CC 1584133300 WVVWIEVUWPHYTF-UHFFFAOYSA-N 415.450 1.750 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(Br)c1 1586467426 OIONXLRQMLRLQO-NSHDSACASA-N 423.292 1.699 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1587562315 NXAZZGURLOHTIR-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1587562520 QFZRJXSCBJDEFO-LSDHHAIUSA-N 415.523 1.351 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H](OC)C(F)(F)F)CC1 1588732838 HLTQCEWSPKIKLH-CQSZACIVSA-N 416.448 1.139 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCCC2(C)C)CC1 1588749951 BAJWMDAWHNICJI-AVRDEDQJSA-N 419.570 1.699 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCO[C@@H]2CCOC2)CC1 1588811503 KVOKLZALZWLJJQ-RTBURBONSA-N 403.527 1.471 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)OC)C1 1589110752 YZDWVTUNPNOXNX-HNNXBMFYSA-N 405.524 1.156 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@H]1C 1589569358 OTUMBRYOVGBYLU-MDZRGWNJSA-N 416.526 1.049 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(OC)cc1OC 1593625275 OVNXRXDHNWJOSM-QGZVFWFLSA-N 415.494 1.821 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)CC1 1594697764 GRBBCQSVQDRMJB-UHFFFAOYSA-N 423.525 1.655 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(N(C)C(C)=O)CC1 1595522609 HERDKKIXQSHVCT-UHFFFAOYSA-N 414.485 1.834 30 10 HDEE CC(C)Cc1nnc(N2CCSC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1606689889 PDBYMORCIYYNRE-YWMAMYRUSA-N 404.540 1.945 30 10 HDEE CC(C)NC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1610100679 BTPINWRHUGNWDZ-UHFFFAOYSA-N 406.494 1.781 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)cc1 1611547351 LTQJGKDRRGRTQV-DLBZAZTESA-N 407.492 1.289 30 10 HDEE Cc1ccc(OCc2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)cc1 1612143607 VVNIGPLAPQBXGQ-UHFFFAOYSA-N 406.446 1.957 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1613050221 ZWSCZUORPRBGOW-CQSZACIVSA-N 406.450 1.743 30 10 HDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1)OC 1613623804 FGGNXRMYBKVSQB-GOSISDBHSA-N 412.494 1.537 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1617184027 AUBYGNVARQHRQD-MSOLQXFVSA-N 402.495 1.499 30 10 HDEE CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1617184779 KHDRCOVVLMEVHH-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)cc1 1617895831 UKQFSXLCWGHUOA-FQEVSTJZSA-N 419.503 1.431 30 10 HDEE C#CCN1CCCN(C(=O)CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1 1618035593 OAHLPLINZPCNSS-UHFFFAOYSA-N 409.284 1.961 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1618620974 IIOPRDOMVPPMJY-CKNLXJGOSA-N 408.499 1.731 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3ccc(F)c(F)c3F)CC2)nn1 1621120223 VRVGEMUBPBWPGX-UHFFFAOYSA-N 415.441 1.778 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 1621977497 RMXXAQVNGCTQHT-UHFFFAOYSA-N 413.499 1.764 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)CC1 1623498767 CRIXKJKDARZPKH-UHFFFAOYSA-N 401.470 1.737 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)C(F)(F)c3ccccc3C#N)CC2)no1 1624746307 YZIPEEIIJYRLLV-UHFFFAOYSA-N 403.389 1.729 30 10 HDEE C=CCC(C)(C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1624771594 LWBHDBWYDYQEPL-UHFFFAOYSA-N 422.551 1.353 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)Nc3ccccc3C2)ccc1F 1627596031 AAZBMHCNPVRVCK-UHFFFAOYSA-N 403.435 1.885 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@H](CCC(N)=O)N1C(=O)c3ccccc3C1=O)C2 1627600708 QZCCPUFCMITEBK-SFHVURJKSA-N 402.410 1.331 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(C[S@@](=O)c3ccccc3)c2)c(=O)nc1O 1628037813 ACGJUBOQWDQYOT-GDLZYMKVSA-N 408.439 1.767 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)Oc1ccccc1Cl)c1cc[nH]n1 1628913256 KRMVGQIXMOADQS-GFCCVEGCSA-N 408.842 1.931 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cc(C)c(C#N)cn1 1629115232 RJNRDXLAPXXQNV-INIZCTEOSA-N 402.451 1.886 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1629722052 FBKSGYNPBQMXJB-ICSRJNTNSA-N 421.501 1.724 30 10 HDEE Cc1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1S(=O)(=O)NCC#N 1633679306 GCHALNOMLYNLDK-UHFFFAOYSA-N 404.398 1.877 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1634588965 SFIWNLRSIAJTIQ-SFHVURJKSA-N 413.474 1.525 30 10 HDEE N#C[C@@]12CN(C(=O)NCCOc3ccc(F)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1635417755 UZTGPZSOQXYVSL-ZBEGNZNMSA-N 401.847 1.438 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCCN(CCN2CCOCC2)C1 1636710744 SJAZLTHECYCMST-LJQANCHMSA-N 409.452 1.970 30 10 HDEE CON1CCC(N(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1637472851 BCFIXAHJRZWJRS-KRWDZBQOSA-N 422.551 1.624 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(N3CCCOCC3)CC2)c1 1638598961 XAJPAAPJPRHILG-UHFFFAOYSA-N 409.483 1.450 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)c1 1638687373 YTMLBVIESFPMHZ-SECBINFHSA-N 402.354 1.491 30 10 HDEE C=CCOC[C@H](NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1639558362 IFZWYZGYBBYCFA-SFHVURJKSA-N 404.463 1.896 30 10 HDEE CN1CCn2c(CNC(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)nnc2C1=O 1643917250 QSLDKUHMZOHOTP-UHFFFAOYSA-N 403.402 1.353 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)C1 1645010330 VPLHTDMEYHRUHX-NEPJUHHUSA-N 407.418 1.388 30 10 HDEE COC(=O)CCC1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 1646486788 JWYNVCVWTXSXSX-UHFFFAOYSA-N 407.492 1.609 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(CCF)C1 1648879914 CKGDOVNBWWOBDP-MRXNPFEDSA-N 424.542 1.836 30 10 HDEE CC(=O)N[C@@H](C(=O)NC[C@H]1CCCN(CC#N)C1)c1cccc(Br)c1 1650833643 BIKZWGGYVMENBK-RHSMWYFYSA-N 407.312 1.978 30 10 HDEE Cn1ccnc1C1(O)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1655488526 FCATTXQESMJRSJ-UHFFFAOYSA-N 420.435 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nc(C#N)c(Cl)s2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655918051 SOLPYKCYFIQPHG-MNOVXSKESA-N 418.928 1.891 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@@H]2CCOC23CCOCC3)CC1 1656427436 YSKJYEWLNDLWDI-VQTJNVASSA-N 416.497 1.462 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1659806816 XYZUSQZJCFKILK-KRWDZBQOSA-N 418.494 1.476 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660310111 SABXLSQSOLOJTG-AVYPCKFXSA-N 416.503 1.011 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C)C(=O)OCC 1664950498 CASLBHDPKGUBDX-NSHDSACASA-N 404.897 1.953 30 10 HDEE C#CCC1(NC(=O)NCc2cccc(OCCN3CCOCC3)c2)CCOCC1 1676039305 YQRRNQZFPFAISV-UHFFFAOYSA-N 401.507 1.769 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 1684300841 VMXHAZBMSVCRPQ-IBGZPJMESA-N 401.507 1.964 30 10 HDEE COC[C@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@@H]1CCCOC1 1685235926 AKUBPWIAKCJXBU-WBVHZDCISA-N 403.483 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)N3CC[C@](F)(C#N)C3)c3nccn32)C1 1685466867 YBIWFKOJRTVOCL-ACJLOTCBSA-N 404.446 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)NCc3ccc(C#N)cn3)C2)C1 1686682124 SLFWEIAXFKRVIH-FQEVSTJZSA-N 401.467 1.875 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 1687706197 CEFTUGPUIALRSX-KRWDZBQOSA-N 401.486 1.782 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCCn1cc(Br)cn1 1689944507 UGBALGXBJMECDL-UHFFFAOYSA-N 422.331 1.925 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689958997 QIYYWAMFNVJTHD-UHFFFAOYSA-N 410.503 1.708 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1690053399 AOAXIVDXJGVEGZ-UHFFFAOYSA-N 416.485 1.718 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CC1 1690254616 DWZRLQCYAADHSB-UHFFFAOYSA-N 418.523 1.905 30 10 HDEE C=CCCOCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1690511944 GTNJJIVXECLTCH-WIYYLYMNSA-N 421.542 1.044 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1690532681 RKCKRQMCYMPERX-CQSZACIVSA-N 402.524 1.807 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)CC1 1690737624 RHLPHAYMIUJJOF-UHFFFAOYSA-N 415.519 1.962 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1705596207 WZMGYVWXWXHFOA-QVKFZJNVSA-N 411.462 1.009 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@H]2OC)CC1 1705635324 WEUFIJJAZKQEBW-IPMKNSEASA-N 405.543 1.572 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1705637654 GRVDQMJOXNATDO-PMACEKPBSA-N 424.597 1.802 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705662965 RNDUTYZHVZGWHW-IBGZPJMESA-N 423.546 1.732 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1COCCO1 1705710865 SIXNNDPHONQXHP-LSDHHAIUSA-N 401.533 1.096 30 10 HDEE CCN(C)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1709924368 DFGORQYORABCFO-RTBURBONSA-N 423.521 1.458 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1712144162 HYTKWVACTOMDHV-OAHLLOKOSA-N 412.494 1.713 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1722294040 FPZQDKDRMGCRQA-AEFFLSMTSA-N 424.530 1.872 30 10 HDEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1722322355 KPXQHIURSSURSH-FGSXEWAUSA-N 415.538 1.981 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1722368393 QWGOLAIKBFYWCE-JKSUJKDBSA-N 402.524 1.241 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1722398220 SSYGQADKEUWFOH-OAQYLSRUSA-N 411.462 1.274 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCOCC1 1722424321 JNFIYSHZQUWTCV-UHFFFAOYSA-N 400.527 1.480 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1722429312 PNHVYBXNNYPYAO-RCCFBDPRSA-N 424.567 1.471 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)CC1 1722565577 ADYOJOLCPUKJTK-KRWDZBQOSA-N 409.556 1.059 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCCO)CC1 1722575724 TTWHUUCHMDOWEW-UHFFFAOYSA-N 424.509 1.722 30 10 HDEE C=CCCOCCn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1722622900 VMNMFFLHNDSECM-FXAWDEMLSA-N 404.559 1.558 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC(=O)N2)C1 1722709556 SLIKBPXULDAPGT-HZPDHXFCSA-N 404.515 1.256 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C(C)C)C1 1722713616 IFVLWLMXVOPQLX-JKSUJKDBSA-N 404.515 1.173 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2CCS(=O)(=O)C(C)(C)C)C1 1722722966 TTWDTGZEVKJLAL-OAHLLOKOSA-N 400.545 1.809 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722739068 DYBFGBNOSXWSLD-OXQOHEQNSA-N 423.583 1.905 30 10 HDEE CCS(=O)(=O)NCCn1c(C2CCC2)nnc1N(C)Cc1cccc(C#N)c1 1729224571 AIPJGONKYRKUQP-UHFFFAOYSA-N 402.524 1.993 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCCN2CCOCC2)cn1 1729568578 DZVQRPMCQMEYLJ-UHFFFAOYSA-N 412.542 1.921 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1730844229 SDCYYBFIYGRHRJ-IFXJQAMLSA-N 410.494 1.606 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOCC1CC1 1730957467 WXZOLTHGOCNOHC-BZSNNMDCSA-N 405.499 1.548 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1731186972 ICWBZTJNFVGRKP-HOTGVXAUSA-N 410.469 1.315 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1740631013 NLENRHHONSSTEH-QZTJIDSGSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCSC1 1740649252 PQNHEDVITXTVNC-RTWAWAEBSA-N 418.563 1.650 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1740658170 DBQJAIOKAJZIPI-FDDCHVKYSA-N 424.501 1.869 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(C(C)=O)CC2)CC1 1740701039 SBLUVEZZWKEDIT-LJQANCHMSA-N 400.527 1.143 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1740942819 LBJQLUHKKDDOMM-AWEZNQCLSA-N 410.544 1.056 30 10 HDEE Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)s1 1742737681 BLPMPVGXSQTGDK-UHFFFAOYSA-N 400.512 1.543 30 10 HDEE C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1743105918 CHZPQUWBAQBEOX-OAHLLOKOSA-N 400.508 1.841 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CC=CCC1 1748664021 BZNKIYSYYJPLJJ-QGZVFWFLSA-N 417.517 1.912 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1748745360 PQZDSLNVXHXVES-UHFFFAOYSA-N 417.473 1.817 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCCn1cc(CO)nn1 1748936400 XXJSKXXKZAMOGX-UHFFFAOYSA-N 418.505 1.984 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccccc2)N(C)C)CC1 1748991070 PRKIELNISZFKSX-WOJBJXKFSA-N 421.549 1.287 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749450954 YNZPKHZGNILAAF-HZPDHXFCSA-N 404.515 1.256 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1749574815 GCHCZQWRHMKHLY-QZTJIDSGSA-N 421.567 1.617 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCn2c(nnc2-c2ccccc2)C1 1749651152 OQZGCJDMDXAEFU-UHFFFAOYSA-N 406.494 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(COC)CC1 1749682945 DOMCZKGIDZZYNP-WMZOPIPTSA-N 421.542 1.557 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1750388612 QLXWZUVSUXAUMY-XUVXKRRUSA-N 411.506 1.722 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1752411713 GCATUAQZKFMXLZ-SJLPKXTDSA-N 424.505 1.728 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCC[C@@H](C)C1 1760248874 RYVVOQNSZCTFIH-KGVIQGDOSA-N 416.570 1.826 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCOCCN(C)C)CC1 1760262797 BAHPNMKHZUGWIH-UHFFFAOYSA-N 402.568 1.264 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760358462 WCIRCKYVFOUUDF-WOJBJXKFSA-N 419.570 1.923 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CN(CC(C)C)CCO1 1760464658 MDAZBOUODBNHDP-IRXDYDNUSA-N 411.572 1.159 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]2CCC[C@H]21 1760522547 WEODYWXBGGNDKX-BZUAXINKSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(CNC(C)=O)CC1 1760524251 TWLZWTYTHFVFKF-QGZVFWFLSA-N 404.515 1.174 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cnccn2)nnc1[C@@]1(OC(C)C)CCOC1 1760528139 SXYZEGUOEISILG-HXUWFJFHSA-N 415.498 1.047 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2nc(C)no2)CCOC1 1767385191 HPMSGBWFQZRTSW-IFXJQAMLSA-N 403.487 1.850 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)C1 1770728252 RBSJDGZNWOJQJS-JXFKEZNVSA-N 420.489 1.542 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)CN1C(=O)COc2ccccc21 1851478675 LZDMQAKBVRIAMK-UHFFFAOYSA-N 410.430 1.904 30 10 HDEE N#Cc1ccc(CC(=O)OC[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1 1851489972 UQXIBBCLMAJQFV-OAQYLSRUSA-N 412.511 1.986 30 10 HDEE C=CCN(C(=O)C1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)[C@H]1CCN(C)C1=O 1852784182 HVKFSVFLCMNTQD-SFHVURJKSA-N 414.462 1.692 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCC2 1853675916 VHZLBMGRXMGQRN-MRXNPFEDSA-N 416.547 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)C1 1853680280 CVIQTWBNSCKFNA-DLBZAZTESA-N 420.510 1.375 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCc3ccccc3C2)C(=O)C1 1853949207 ZROSUTDSYRWNEX-GOSISDBHSA-N 423.494 1.723 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)cc1 1854339090 SWRQLIGSJXFIJF-GOSISDBHSA-N 420.535 1.694 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2Cc3ccccc3O2)C(=O)C12CCCCC2 1854401583 PSDXCHGACHWBQB-QGZVFWFLSA-N 417.487 1.217 30 10 HDEE N#Cc1cc(C(=O)N2CCN(Cc3nnc(-c4ccc(F)cc4)o3)CC2=O)ccn1 1854593671 CTIJHDSTARGUPM-UHFFFAOYSA-N 406.377 1.627 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@H]4CN(C)C[C@@H]43)ccc21 1854813661 JLLAZBRGPCIOLS-LPHOPBHVSA-N 417.531 1.783 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1 1855191825 LSSNRAGGOIENBW-MRXNPFEDSA-N 411.483 1.939 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2=O)CC1 1856174697 CTSBLIUVNRXAEZ-MRXNPFEDSA-N 403.433 1.638 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCc1ccccc1 1856331638 YYTLPGZMUINCAC-MRXNPFEDSA-N 411.483 1.804 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1856521172 LUONCSXHCLKVIC-WMZOPIPTSA-N 400.483 1.071 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)cc1 1856771336 TXOTWSHQQSHGKH-QGZVFWFLSA-N 418.519 1.157 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCCOC4)C3)CC2=O)cc1C#N 1856862855 YSORDMOQLPXWOW-GHTZIAJQSA-N 410.518 1.652 30 10 HDEE C[C@]12CCC(=O)N1CCN2C[C@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1857451888 SMZNDLNBEHVGJS-AUSIDOKSSA-N 408.502 1.910 30 10 HDEE CCCCCCCOc1cn(CCc2cnc[nH]2)c(CN(CCO)CCO)cc1=O 1870412868 LQEVGRLNRZLQAS-UHFFFAOYSA-N 420.554 1.950 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1959525053 SSGHWBZRSDQZFX-RDYUPDBUSA-N 410.515 1.849 30 10 HDEE COC[C@H](C)NC(=NC[C@@H]1OCCOC1(C)C)N1CCN(c2ccccn2)CC1 2087918103 PPXKJAYPWKGESB-ROUUACIJSA-N 405.543 1.378 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)S(=O)(=O)CS(C)(=O)=O 2157040738 YORVBSDTJDEXKD-UHFFFAOYSA-N 423.387 1.119 30 10 HDEE CC(C)(C)OC(=O)N1CCCN([S@](C)(=O)=NS(=O)(=O)CC2(C#N)CC2)CC1 2174773018 PUJYUUSDIHZJJP-AREMUKBSSA-N 420.557 1.576 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CCC(C#N)CC1 2174779536 KJSWEPGXPRAGHV-OAHLLOKOSA-N 402.517 1.034 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@H]1CO 2174916919 BNNZXSWFKOJYHR-INIZCTEOSA-N 401.529 1.023 30 10 HDEE O=C(CN1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F)NCC(F)(F)F 2195540973 NYNUPZMWFXVNNZ-NKWVEPMBSA-N 403.245 1.739 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)NC(=O)OC(C)(C)C 2243425976 SVQXFDPKLJNKFJ-ZDUSSCGKSA-N 407.320 1.967 30 10 HDEE CCOC1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243675330 VCYRANBNFARTFO-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1COC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243677127 RIEIXJHQQZWCRL-CABCVRRESA-N 408.304 1.619 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@@H](N)C3)cc2Cl)OC1(C)C 2267710682 ZIXDIANCRZAERI-NXEZZACHSA-N 406.766 1.859 30 10 HDEE CC1(C)OB(c2csc(C(=O)N(CCCO)CCCO)c2Cl)OC1(C)C 2282063219 JHPBGSWJJTYFLE-UHFFFAOYSA-N 403.737 1.908 30 10 HDEE COC(OC)[C@H](C)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332628 DSCCLVLJWXPFEQ-NSHDSACASA-N 405.347 1.675 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282525132 IVBNCAKEGFFTEH-QWRGUYRKSA-N 402.347 1.336 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2282575717 HFCFOLPLQYQMOU-UHFFFAOYSA-N 402.347 1.257 30 10 HDEE CC[C@](C)(NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282837257 SSZHCIZJEZHLSW-INIZCTEOSA-N 402.347 1.288 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C[C@@H](C)O 2282843878 UGLVYFRGXXUFRF-QWHCGFSZSA-N 403.375 1.874 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2282870057 LZZLADZGVLTQFA-UOXLDJKESA-N 419.399 1.330 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282870113 MZZOPSYQGLIAIU-ZDUSSCGKSA-N 401.359 1.580 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401994 FRCRMRROKVVMKL-ZWNOBZJWSA-N 403.331 1.825 30 10 HDEE C[C@@H](CC(=O)O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284402313 IJXDFUMDCFUUAG-NSHDSACASA-N 403.331 1.672 30 10 HDEE CCOc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc1OC 2330940312 BIUKUNLIFATSPY-CQSZACIVSA-N 405.480 1.997 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2339653097 GAXJSTNAATWHAL-CHWSQXEVSA-N 402.538 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2342045463 SUWKMSLOMMFJLY-KGLIPLIRSA-N 407.469 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2361663705 ZLMDWYXHDRSRJD-WFASDCNBSA-N 408.471 1.701 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC 2365202402 NUIDHUBWPVZTFC-ARFHVFGLSA-N 402.557 1.673 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365202857 GNUDHLCCWDUEEE-SPYBWZPUSA-N 402.557 1.586 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCC1(C)C 2365202999 QRRPCSWBHWPNJV-LIRRHRJNSA-N 402.557 1.681 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H](CC)NC(=O)OC(C)(C)C 2365207813 QKITXTHABPJBLI-BZUAXINKSA-N 404.573 1.845 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)C1COC1 2365208175 BPVYZYWQXLWKBV-HZPDHXFCSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CC1 2365240059 ASSDCAZOPCFAFD-UHFFFAOYSA-N 403.497 1.684 30 10 HDEE CN(CC1(O)CC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2365794935 SPPLJVFVMFMFPJ-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE COCC1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)CC1 2367798687 SRCDFIVDQTXCDW-HNNXBMFYSA-N 401.525 1.592 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367816931 JMSDTMXXVSWHSU-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 27903786 OYXFJBQXCAXUGQ-INIZCTEOSA-N 406.502 1.101 30 10 HDEE C=C(C)COc1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCC(C)C)c1 66229028 NTSBWWIQIDBDIE-LJQANCHMSA-N 417.506 1.970 30 10 HDEE CNC(=O)c1ccccc1C#CCNC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 96348752 LSQFJRNLJYHOFM-UHFFFAOYSA-N 402.410 1.947 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1)n1cnc(C#N)n1 409479088 OXJIHRRNTMRLEQ-CYBMUJFWSA-N 402.842 1.114 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(F)c(C#N)c2)CCN1c1nccn2cnnc12 433475581 SSMSRGHILCQHIV-LBPRGKRZSA-N 401.427 1.034 30 10 HDEE CNC(=O)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1 446199723 CIUVHXYQNFAMMD-UHFFFAOYSA-N 421.457 1.758 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461301535 LVGBDZDZNZABOS-MRXNPFEDSA-N 402.480 1.672 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)c(C)o1 482655407 FMSHPJLHHDSQOX-UHFFFAOYSA-N 416.503 1.784 30 10 HDEE COc1ccc(-n2cc(CNC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)nn2)cc1 489531624 GMPPBSCKJHNCFT-LJQANCHMSA-N 419.445 1.905 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 514835596 KOFJYTZQTQNZMU-MRXNPFEDSA-N 413.474 1.033 30 10 HDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCS(=O)(=O)C1 532587646 XRPUACTUQJLUDO-HNNXBMFYSA-N 402.438 1.540 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 539021093 QVOPNDZLITUULD-QFIPXVFZSA-N 405.502 1.936 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)CC1 540553113 LQUOWWHETUFKPZ-AEFFLSMTSA-N 414.403 1.534 30 10 HDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3cccc(OCCCC#N)c3)CC2)n1 544751343 ATXPQDOMPRAVJO-UHFFFAOYSA-N 408.462 1.755 30 10 HDEE C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546919326 QSCGOBBHPPAPAD-MJGOQNOKSA-N 421.501 1.762 30 10 HDEE CN1CCN(c2ccc(NS(=O)(=O)c3cccc(C#N)c3)c(C(=O)O)c2)CC1 548528476 FGHAUCKGSNXNOM-UHFFFAOYSA-N 400.460 1.809 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 559255751 TUBTWFOPIMINAS-UHFFFAOYSA-N 409.414 1.691 30 10 HDEE CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)F 568819512 PXPLNJIUYMAGDF-CQSZACIVSA-N 400.451 1.024 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3F)C2)CC1 573044177 ODMPQMIEERONKB-HNNXBMFYSA-N 401.442 1.654 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)C2=O)cc1 588865635 BXXLSXMHZGDEFB-OALUTQOASA-N 420.473 1.230 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cccc(C#N)c2)CC1 603520294 BSGDOZWKJSFUHY-UHFFFAOYSA-N 401.492 1.615 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 609346941 XLIHJXVQJXAYFX-FQEVSTJZSA-N 400.479 1.159 30 10 HDEE COC(=O)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 609878373 TVRRGIIPMRXZFI-HOCLYGCPSA-N 400.435 1.467 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732648765 ZKJNBRUUEJCSFG-INIZCTEOSA-N 420.535 1.538 30 10 HDEE C[C@@H](Sc1ncccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(=O)N1CCCC1 732649327 FSCRMDFQJQOBCN-WBVHZDCISA-N 413.547 1.997 30 10 HDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732665196 VMNQPJATKBZSBJ-HKUYNNGSSA-N 416.547 1.502 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1)C1CC1 737010224 BYFCTEPSIYCTEJ-FMQUCBEESA-N 411.462 1.845 30 10 HDEE CCc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)s1 739006052 XNYGREAVGVJPIR-HNENSFHCSA-N 417.535 1.664 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 741609611 LGFYCNPMSULBEC-UHFFFAOYSA-N 409.450 1.377 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)OCCCO1 754724577 RXTLTRGQGSZXJG-OAHLLOKOSA-N 409.508 1.409 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCNc2ccc(C#N)cn2)n(-c2ccccc2C)n1 761845643 MIKZKXLRPGLLDN-UHFFFAOYSA-N 403.446 1.923 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)CCN1C1CC1 761959409 HGIRAVTWNDBZBO-GOSISDBHSA-N 404.474 1.887 30 10 HDEE COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)oc1C 763206650 SECLBQRRZJAFEZ-UHFFFAOYSA-N 405.435 1.673 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4ccc(C#N)cn4)CC3)C2=O)C(C)(C)O1 764904255 JZTZBYWPTXDHND-NRFANRHFSA-N 412.494 1.301 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CCc2nnnn2C)C1=O 771545875 UXWGRNGTNJCNRK-AWEZNQCLSA-N 401.496 1.137 30 10 HDEE C#CCN(C(=O)NCCOc1cccc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 774171444 FWHLAWLDYSLYOF-AWEZNQCLSA-N 404.410 1.916 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cccc(N2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774195688 RQSXMMASSBCDOX-CRAIPNDOSA-N 403.504 1.706 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](CCOC)NC(=O)OCc2ccccc2)CC1 778673431 CCEMYPPTXGTRFF-IBGZPJMESA-N 415.490 1.306 30 10 HDEE C#CCN(C(=O)c1cnc2ncc(Br)cc2c1)[C@@H]1CCS(=O)(=O)C1 780444311 SQALSSRJPJBWGT-CQSZACIVSA-N 408.277 1.655 30 10 HDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2ccc(OC)c(C#N)c2)n1 786740533 ZROKQYINLIKADX-UHFFFAOYSA-N 405.480 1.828 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ccc(S(=O)(=O)N3CCCCC3)cn2)n1 788559007 CEWCKKFWVRLNMQ-UHFFFAOYSA-N 417.535 1.739 30 10 HDEE Cc1cc(N2CC[C@@H](OC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2=O)n(C)n1 796290240 KEHCSFNHGFCWBL-MRXNPFEDSA-N 412.450 1.462 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2F)N(CCF)C1=O 797808797 QNPGVTYBALFUEI-AWEZNQCLSA-N 402.442 1.934 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCO[C@@H](COC)C1 800783070 LZCHGEPQGWSTRF-QGZVFWFLSA-N 401.467 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCc2cc(F)c(C#N)c(F)c2)C(=O)C1 816505229 QLOAXSKFAUSVMA-UHFFFAOYSA-N 408.405 1.532 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@H]1CCS(=O)(=O)C1 918754996 QRHPKTMATKMVRW-WMZOPIPTSA-N 422.934 1.841 30 10 HDEE NC(=O)c1cc(Br)ccc1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1116182957 DPGCRRPENWWUOF-PEZBUJJGSA-N 407.224 1.403 30 10 HDEE C#C[C@H]1COCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1129749005 YGNIZYFAIWVPGS-KSSFIOAISA-N 420.263 1.077 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1CCN(S(C)(=O)=O)CC1 1136150405 RKXYBTISRXGHLP-HNNXBMFYSA-N 416.544 1.504 30 10 HDEE CC(C)C[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)N1Cc2ccccc2C1=O 1136672791 ZCKBIAKAAHSFMF-DPPKGPFUSA-N 410.474 1.700 30 10 HDEE Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC(=O)NCC#N)ccc1Cl 1140178073 YEXCFODNHYCTEA-UHFFFAOYSA-N 420.878 1.819 30 10 HDEE CN1CC[C@](Cc2ccccc2)(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1=O 1142085995 NWKZYESQCWGKPQ-HSZRJFAPSA-N 403.486 1.693 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)[C@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1148719866 IDSYYZDPMXQMCZ-QAPCUYQASA-N 401.488 1.691 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H](O)C(=O)OCc3ccccc3)n[nH]2)c1C 1153194206 CNBTYRZBGXLWEI-IBGZPJMESA-N 423.473 1.910 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)cc1 1158767809 TUBVSFUVAIVLQC-GOSISDBHSA-N 414.483 1.848 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(C)(C)O 1159769208 AYFCFIQDLOALFM-QVKFZJNVSA-N 422.481 1.775 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1163652066 JGWRFIQPMXNYGN-QGZVFWFLSA-N 424.482 1.440 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 1165508674 SRQFKOPYTUKOGG-UHFFFAOYSA-N 409.527 1.779 30 10 HDEE C=CCC1(O)CCN(CC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)CC1 1197921157 MKLPSLMTYKQKSL-UHFFFAOYSA-N 407.515 1.087 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1212317315 UCXNNPISFCZWLX-LLVKDONJSA-N 406.323 1.887 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1235388101 KYJIYUZLMHSUTK-UHFFFAOYSA-N 405.458 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCN(c3cc(C#N)ccn3)CC2)C1 1251298098 GTXJOUOJJQQHQD-NRFANRHFSA-N 401.511 1.837 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC 1286407870 UGYBIGPHYZCSOQ-GOSISDBHSA-N 407.474 1.562 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1286422387 LWDQKWMGBPMRFL-JTSKRJEESA-N 413.522 1.308 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286467901 WNLFAEJCKPENTH-GOSISDBHSA-N 407.478 1.701 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286505241 YQLMEASPNYDQOT-OAHLLOKOSA-N 407.565 1.663 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1286601092 SEZXRLAHFYUIBZ-FQEVSTJZSA-N 406.575 1.410 30 10 HDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1286796171 IHFCOKLVJOUMFQ-QGZVFWFLSA-N 424.505 1.325 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1288529366 HZGAJXZJSMTYNK-HRAATJIYSA-N 409.494 1.534 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCC[C@H]1C 1288804622 GMHVDAOALQWRBA-QWQRMKEZSA-N 410.544 1.179 30 10 HDEE Cc1noc(CCCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)n1 1290957580 BGSZFJRMYNUDNG-UHFFFAOYSA-N 412.498 1.855 30 10 HDEE N#CC1(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCSCC1 1291596094 LWUHZWHHYIYPGX-INIZCTEOSA-N 423.560 1.797 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1294844740 CTPGZZCELOIYTM-HNNXBMFYSA-N 422.497 1.575 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O 1295048903 XUMGSZVUOIBGNW-QWHCGFSZSA-N 410.400 1.186 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1300302385 AKMHSPZSARLOPF-HIFRSBDPSA-N 402.499 1.554 30 10 HDEE C#CCCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1300373064 OCNACIKDQSBDGO-KRWDZBQOSA-N 424.505 1.883 30 10 HDEE C#CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300399466 MNJKJCMSTFTEQW-UHFFFAOYSA-N 422.533 1.840 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(O)CCN(C)C2)CC1 1300688681 IYILFTYHHPZBTR-NRFANRHFSA-N 414.941 1.420 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCOC2)CC1 1300701083 FRYWJWDFQZHEOJ-MRXNPFEDSA-N 401.461 1.939 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1300761625 DFNLKOBXASIIMH-ZACQAIPSSA-N 424.592 1.552 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301002417 ZENNNVAXRCDFHT-RTBURBONSA-N 405.543 1.881 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1)C1CC1 1301327411 RQLDKYPVICHPES-ZDUSSCGKSA-N 423.564 1.986 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)c1ccccc1 1301478873 QNLIYGVLVZFHHQ-HUUCEWRRSA-N 420.539 1.388 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1301508440 LTMAOAUNWZZPOY-IBGZPJMESA-N 415.586 1.138 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1301670027 IKFYPSMNKVASPP-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE COCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1302235972 ZOGQKCAGEYGJGG-YLJYHZDGSA-N 417.441 1.896 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1302286975 OXMPVAVXLVDXNF-AVYPCKFXSA-N 422.505 1.606 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 1302637163 VDTBLQKAHFJXHX-KRWDZBQOSA-N 406.236 1.784 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1305114020 BORJDVYJLIDJJL-VQIMIIECSA-N 424.505 1.679 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1NC(=O)CC1(C)C 1305720707 HLSLCENTDBZTAF-ZFWWWQNUSA-N 403.531 1.850 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1308128164 MUAZFDJPVDYGDE-ZUZCIYMTSA-N 416.272 1.397 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)C1 1310367524 KGDPWPJLIZFGAX-QAPCUYQASA-N 400.479 1.587 30 10 HDEE CCN1CCN(c2ccc(Cn3c(C)nnc3N(CCC#N)CCOC)cn2)CC1 1313935353 XCRADBWWEFWYLP-UHFFFAOYSA-N 412.542 1.538 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1315186438 YBBQHRQWJIKUNV-MGPQQGTHSA-N 403.405 1.868 30 10 HDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1315904748 GIQUNIYMIUBXHH-UHFFFAOYSA-N 418.523 1.229 30 10 HDEE COCCOCCn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1316258160 COHRMEDKDGGJQY-INIZCTEOSA-N 414.514 1.441 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n(C)n1 1320853006 WHDPDFUOKACALG-MSOLQXFVSA-N 406.490 1.738 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1cccc(F)c1F 1322909390 BTCUHGFMNJOVSI-UHFFFAOYSA-N 423.444 1.982 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(C)=O)CCCCC1 1347348582 YHRSZJDEVBLGNK-GFEQUFNTSA-N 403.523 1.665 30 10 HDEE Cn1cc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c(I)n1 1351296984 UKRUPWPIQRDLJS-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C=CCC1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CCOCC1 1353769340 KUJBCHQAYXHEGZ-UHFFFAOYSA-N 422.551 1.023 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1358870272 JLCVTDFUVXHBKD-AWEZNQCLSA-N 418.461 1.922 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358888531 NYSSHFRTYSNJEJ-PKOBYXMFSA-N 410.522 1.910 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1358963119 CDGYSYMDFGJVDG-SFHVURJKSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOC(C)C)CC1 1359037296 DRVRJDMDYUXTTJ-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1359057309 WTPLRCIOXZDRDW-BBWFWOEESA-N 423.608 1.220 30 10 HDEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359209368 LDUUHAAFGCFWCW-CQSZACIVSA-N 423.315 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OCCOC)C1 1359298695 JABJXGRRXGSAIT-KRWDZBQOSA-N 414.510 1.583 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC(C)CC2)CC1 1359301010 OZTQARJREFXBDT-XBMUEBEBSA-N 416.570 1.785 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCN(C(C)C)CC1 1359304130 NANNKSUXJFELPP-UHFFFAOYSA-N 414.558 1.362 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(OC)CCOC2)C1 1359313889 SSKYEHQCNKMOKD-UIFIKXQLSA-N 422.526 1.517 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1359342432 XRCAJRBQMOTRNL-CVEARBPZSA-N 409.556 1.779 30 10 HDEE CC(C)[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360672428 RDRIUCBOHIFQQX-KGLIPLIRSA-N 406.512 1.884 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(-n4ccc(C(F)(F)F)n4)c3)C[C@H]1CS(=O)(=O)C2 1439618758 YVSIOZOXGSGPBT-GUYCJALGSA-N 424.404 1.901 30 10 HDEE CCCCCCNC(=O)[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1442586756 QGYDPRLOXCFWDJ-HNNXBMFYSA-N 403.483 1.146 30 10 HDEE Cc1noc([C@@H]2CCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1449219744 LGQLYHACNRLIRE-CVEARBPZSA-N 408.418 1.818 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CC[C@H](O)[C@H](CO)C2)CC1 1451608118 BHBVMDCQHYOMKK-HOCLYGCPSA-N 400.435 1.224 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)Cc3nc(C4CCOCC4)n[nH]3)CC2)c1 1452696033 ZUVLZIKEYAZAGF-UHFFFAOYSA-N 408.506 1.894 30 10 HDEE CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCC[C@H]1C#N 1454653072 UKFVEWBDGGRQEJ-DOTOQJQBSA-N 400.504 1.998 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C(C)C)c(C)c2)CC1 1455114179 AXXVQEGNJDLEIX-KRWDZBQOSA-N 407.536 1.498 30 10 HDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)O1 1458614736 NIINAFNRJQSGPM-SOUVJXGZSA-N 406.435 1.894 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](c3n[nH]cc3C(=O)OCC)C2)c1 1460531266 AEWQYAYYANFIGC-HNNXBMFYSA-N 409.446 1.705 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)Cc2ccc(Cl)cc2)CC1 1460859422 CZQCBHMIINTEHA-TZIWHRDSSA-N 406.958 1.915 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]n1 1466737711 RTAKMSMGLNFPRC-RISCZKNCSA-N 405.455 1.854 30 10 HDEE C[C@H](CC(=O)N1CCN(C)[C@@H](C(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1469616777 AARCKZKWRZBZIJ-RHSMWYFYSA-N 406.552 1.692 30 10 HDEE Cn1nccc1[C@H](O)C1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 1470415743 DGIFFRBPXUXUHL-LJQANCHMSA-N 405.462 1.645 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)NCC#CCN(C)C)c2)c1 1471036846 QNGYQRRYJQDMFT-UHFFFAOYSA-N 411.458 1.957 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)CCCOc2ccc(S(C)(=O)=O)cc2)C1 1471338364 XECNPETYCXWZNN-QGZVFWFLSA-N 407.536 1.598 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCOCC1 1471930443 FWLOZUYZGQWQMF-UHFFFAOYSA-N 415.309 1.416 30 10 HDEE N#Cc1c(N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)ccc([N+](=O)[O-])c1N 1472902344 LZVJXAIJFSKLLE-LKFCYVNXSA-N 404.370 1.995 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCCC1 1507512733 GIMNVDQWMISYNP-QGZVFWFLSA-N 400.527 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1507522147 FQMGTVOUQATKNP-VIFPVBQESA-N 407.301 1.799 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1507522305 BZTXBBDEBVAZEF-ZDUSSCGKSA-N 402.409 1.660 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1 1507537405 LGKYATWGNYNJNX-VQTJNVASSA-N 409.582 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1507636643 CBGRJBDMMQPQFF-HDICACEKSA-N 414.554 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2ccc(O)cc2)CC1 1507718064 AHTPDBMFAQZEQS-SFHVURJKSA-N 413.522 1.706 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507935697 UAPNCGMUEJNSGT-ZACQAIPSSA-N 421.567 1.784 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1508059882 ZVMFTKDXTCXLBN-ZDUSSCGKSA-N 422.338 1.696 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](CC(C)C)N(C)C 1513406482 BNQDJGSJRVXJDQ-QZTJIDSGSA-N 419.574 1.902 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1515285144 AZTMBKGTPKYBLT-UHFFFAOYSA-N 405.466 1.215 30 10 HDEE CN1CCN(CCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1(C)C 1517420536 FSKWTIIQLSJOMO-IBGZPJMESA-N 424.553 1.019 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1519260185 PWXMWVDTDDYNRJ-KBPBESRZSA-N 402.455 1.182 30 10 HDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccccc4)c3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1537005289 CACNIXFYCJNODF-YVEFUNNKSA-N 424.404 1.901 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCS(C)(=O)=O 1539247288 XHFVBTFOGLSPAU-UHFFFAOYSA-N 421.320 1.825 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2ccn(C)n2)n1 1539424586 TWNYYYWWADPOIS-UHFFFAOYSA-N 410.526 1.840 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCn2cc(Cl)cn2)CC1 1539446312 WLHMTIVZEYIPQF-UHFFFAOYSA-N 410.913 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(CN(C)C)c2)CC1 1539463054 SBTUKDGZIGUZJQ-OAQYLSRUSA-N 408.550 1.995 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1539525816 CZQBDFCVYFLEAT-HZPDHXFCSA-N 416.507 1.620 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1539552059 IQHHROUNXPNESM-VQIMIIECSA-N 417.539 1.095 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1539556381 CCLYRQYLGJABOR-MGPUTAFESA-N 421.567 1.335 30 10 HDEE Cc1cnc2c(c1)N(C(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCN2C 1539843329 AATYYHFQBDNLMU-KRWDZBQOSA-N 418.457 1.950 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)N(C)C)C1 1540887470 XTRKZUGSEYHOHF-QFBILLFUSA-N 423.525 1.652 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1541043094 PFHPQBNYGYCNSC-UHFFFAOYSA-N 405.458 1.314 30 10 HDEE CC(C)CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1541507567 KHHLOMDPSRXTRB-UFOSLELVSA-N 415.498 1.238 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(OC)c(S(C)(=O)=O)c2)n1 1543692338 ODMUAHLDZZERGX-UHFFFAOYSA-N 405.476 1.217 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(C)(C)CN2CCOCC2)cc1 1544463220 SSLKVBVCZYAUBU-PYCFMQQDSA-N 422.551 1.796 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](C)N(c2cnn(C)c2)C1=O 1545036073 VBXINLMYJUBNNO-BPUTZDHNSA-N 403.483 1.337 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)N1CCN(C(=O)CC#N)CC1 1545534386 GDRXWWIMULAOIV-MRXNPFEDSA-N 401.467 1.102 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1545718506 JWBNEXZTZUKHKF-UHFFFAOYSA-N 415.475 1.274 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2cccc(Br)n2)CCO1 1555993151 JBGITXGHONQKAD-JSGCOSHPSA-N 419.283 1.717 30 10 HDEE Cc1nc2c(n1CCO)CC[C@@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)C2 1556538611 CABKPUWFFCIWNJ-DLBZAZTESA-N 407.474 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1557496179 CVSGRKFNBFRIPA-DVEDPGPFSA-N 418.494 1.951 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@]2(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1558643212 PLYFFDZLJIKGEW-DTAKHTCKSA-N 409.508 1.077 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2cccc(CNc3ncccc3C#N)c2)C1 1558733590 AJBJORZSORVXNG-MOPGFXCFSA-N 423.473 1.744 30 10 HDEE CCOc1ccc2c(c1)[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CCO2 1564615900 DCTQNCUSLOSAGN-CRFBAAHOSA-N 405.476 1.489 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 1565156419 JGHNUBORFIFRSG-RTBURBONSA-N 401.507 1.963 30 10 HDEE C=CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1565628575 WSTZTCNEONDTBS-UHFFFAOYSA-N 407.536 1.212 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC(=O)c2ccccc2O1 1587485689 IFBMVFWHVHYNMP-ZDUSSCGKSA-N 413.455 1.265 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1587556943 XDINZOZVMKUMHO-AWEZNQCLSA-N 418.461 1.785 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1588003432 YIHCYGXYVCYKOX-UHFFFAOYSA-N 402.462 1.573 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCOCC2)c1 1588109996 NXPVVHGMEDGFKA-QGZVFWFLSA-N 402.495 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(OC)c2)CC1 1588750785 FTWLFZYQKWYMJD-GOSISDBHSA-N 413.522 1.814 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1594567515 PHMYGGUZLSHHNM-HNNXBMFYSA-N 411.466 1.923 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CN(C)C1=O 1595303553 VCVRGQQFPXXGRR-LJQANCHMSA-N 404.540 1.751 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1595602860 SRHKLBXSEROGSW-UWJYYQICSA-N 403.527 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)C1 1595723013 PXAOBSUTRBGVCW-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595797421 GBWABTNBGXWAIR-MRXNPFEDSA-N 407.540 1.348 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2)cc1 1598182347 SIXNEERMBJQAAN-NYYWCZLTSA-N 418.446 1.606 30 10 HDEE CC(C)[C@@H]1OCCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1603169859 CTTOKQORTPWKLY-QKLQHJQFSA-N 416.526 1.580 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](C)C(=O)OC(C)(C)C)ccc1F 1611242614 OIVJEEHHWMCIAJ-GFCCVEGCSA-N 400.472 1.998 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)C[C@@H](C)C#N 1618845527 HJRRPWFPNXPDTH-AWEZNQCLSA-N 406.512 1.023 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCSC1 1620018953 IULYHBKICXQCPI-JFIYKMOQSA-N 420.583 1.932 30 10 HDEE O[C@H](CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCOCC1 1620633644 WZVNIBQTBTUXFK-LPEHRKFASA-N 413.305 1.992 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1622216877 CFSJCPBNCMOHAN-AWEZNQCLSA-N 411.480 1.481 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1622372137 DHRFQFLJPVLPNU-SFHVURJKSA-N 406.504 1.435 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1624176460 BHVKTOCTASWLDV-ZBFHGGJFSA-N 404.467 1.546 30 10 HDEE COCCCn1cc(C)c(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1624461054 BCMJQPCUHRZJNQ-AWEZNQCLSA-N 419.507 1.684 30 10 HDEE C[S@](=O)Cc1ccccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1624835950 DWRAOWKTKDRYPY-SANMLTNESA-N 405.501 1.632 30 10 HDEE COCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1624900682 QEWWXONNPQMOIC-GOSISDBHSA-N 414.462 1.417 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1625990271 TUBFQDNZMDWVFB-SJORKVTESA-N 424.542 1.337 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1CCC#N 1628324533 IZKGMCXSBJCKNB-UHFFFAOYSA-N 401.492 1.393 30 10 HDEE Cc1csc(NCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1629476337 OVVZONSVOQRLOU-HNNXBMFYSA-N 412.475 1.757 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1629968431 GRHJCGSQRKLZNV-IBGZPJMESA-N 402.455 1.455 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1630164710 QDRIJJGHORBKKI-MNOVXSKESA-N 423.354 1.717 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(OC)cc1N)[C@H]1CCS(=O)(=O)C1 1630830122 JWQIEDPOSUXUAT-JTQLQIEISA-N 401.282 1.302 30 10 HDEE CC[C@H](c1ccc(F)cc1F)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1633536196 HADOHZMJVQVHFM-QGZVFWFLSA-N 417.416 1.394 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCCOC)CC2)c1 1633878969 GPFUTBXIBTVVQC-UHFFFAOYSA-N 420.531 1.489 30 10 HDEE C#CCN1CCCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 1634016387 WWDKTEOACJOZEZ-UHFFFAOYSA-N 402.520 1.015 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1634109961 RNOQOHSAEUDDGO-QRWLVFNGSA-N 406.483 1.388 30 10 HDEE C[S@](=O)C1(C(=O)NCc2cncc(C#N)c2)CCN(C(=O)OC(C)(C)C)CC1 1635329339 RFMMFSONBGEHJP-NDEPHWFRSA-N 406.508 1.718 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697107 IKYBYEJYUNSSCI-YGTYGHESSA-N 411.524 1.467 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCc2ccc(OC)cc2Br)CC1 1635993890 TZBCGOHNNDTYLL-UHFFFAOYSA-N 422.323 1.284 30 10 HDEE C#CCC1(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CCOCC1 1638615828 QXAAYHWMPAYPBD-UHFFFAOYSA-N 401.282 1.399 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1 1638983727 RBBNWPMQAYNVRF-AEFFLSMTSA-N 420.535 1.598 30 10 HDEE C=CCn1cc(CNC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)nn1 1639562211 XBCYAAURYIYZKH-ZDUSSCGKSA-N 401.471 1.842 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)ncc3Br)C2)c(=O)nc1O 1640636729 MSTOLPJDPGKPEA-UHFFFAOYSA-N 410.615 1.329 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2=O)cn1 1641584647 SFRXZLQVATWMRY-MRXNPFEDSA-N 408.462 1.077 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](OC)c2cccc(OC)c2)cc1 1642086901 STADRNWTUVOGKE-IBGZPJMESA-N 402.472 1.724 30 10 HDEE N#CCCCn1cc(C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)c2ccccc21 1642373429 NGFMYGZCAFWASS-RTBURBONSA-N 401.488 1.973 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1644465986 NIGQAVJKLQWZBC-HOTGVXAUSA-N 405.499 1.744 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1645267985 WBHRBKILMOHBNX-YWZLYKJASA-N 412.471 1.447 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCOc1cccc(F)c1 1648458447 JFDMTCZUGWCSOP-CQSZACIVSA-N 405.451 1.949 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(CCc4cnccn4)CC3)cc2C1=O 1650771192 WKHJKCYLKAPGNG-UHFFFAOYSA-N 405.458 1.259 30 10 HDEE C=CC[C@]1(C(=O)NCCN(C)CCS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1651247077 ZRMKQAAYUVXQQE-LJQANCHMSA-N 417.572 1.425 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CC[C@H](O)[C@H](O)CC2)nnc1-c1ccco1 1652215653 FAPSZIROSKKZGG-QDMKHBRRSA-N 406.508 1.987 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OCC(=O)Nc3ccccc3OC)c(OC)c2)C1 1653281269 FCTYJXPJQAUZQQ-UHFFFAOYSA-N 410.426 1.541 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCc2ccnc(N(C)C)c2C1 1653817116 GVEKCMGTXMGBAV-AWEZNQCLSA-N 413.503 1.271 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@@H](O)c1cccc(C#N)c1 1654148609 FTMVWYKSSVYQJV-WOJBJXKFSA-N 423.542 1.994 30 10 HDEE C#CCC1(NC[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CCOCC1 1654834489 RHEBHTSMUFJQID-SFHVURJKSA-N 413.474 1.561 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)C1 1656883386 CKDFYDOFWCOIGX-JTQLQIEISA-N 413.297 1.407 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)CC1 1663574232 LUCYQDUGICVEOL-UHFFFAOYSA-N 413.883 1.668 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCC2(CC1)CNC(=O)O2 1671902329 DPEWBHGMFAWZCP-UHFFFAOYSA-N 400.254 1.584 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc3n(c2C(=O)OC)CCC3)n1 1673134779 JIGVCCXYWPYJNB-UHFFFAOYSA-N 400.439 1.126 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccncc3OCC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1681815038 LFYAOSXBUYQSGA-SWLSCSKDSA-N 418.397 1.102 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 1681923381 URUFRZMRPQLQLW-AWEZNQCLSA-N 416.906 1.154 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(Cc3cc(OC)cc(OC)c3)CC2)nn1 1683483214 QSLKNIAQKPVMLW-UHFFFAOYSA-N 400.483 1.509 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(Cc3ccc(C)cc3)CCO2)CC1 1684768632 CCKITQMGBKZRPE-OAQYLSRUSA-N 412.534 1.367 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)NCc1nc(C#N)cs1 1685525419 YFLRTBJFBIOWCF-UHFFFAOYSA-N 413.456 1.022 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1689853564 VYAZRIHUROCNHG-RHSMWYFYSA-N 421.498 1.256 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1690063565 HXQYRQAQGXZZNA-MRXNPFEDSA-N 419.551 1.937 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1690073823 HYMHKSWXIPPOQN-MUUNZHRXSA-N 403.508 1.767 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1690076829 BXVPGARHBFRXIM-IRXDYDNUSA-N 410.540 1.083 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1690077430 OGYRAOBUYQCPEV-QGZVFWFLSA-N 423.583 1.897 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690124603 OVKLHAQEQAOOOV-HXUWFJFHSA-N 422.533 1.335 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCCC2)C1 1690174890 LJPQGJUODJMKIE-MRXNPFEDSA-N 424.592 1.696 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1690523723 MQJJWJJCLVSXPJ-QFIPXVFZSA-N 423.521 1.364 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1690667247 WRHFSIAZGBHIHU-UHFFFAOYSA-N 402.462 1.588 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1690673976 KYBJAKODGOCMOS-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693783980 WSPHJMHHNCTPKK-UFOSLELVSA-N 409.450 1.092 30 10 HDEE CNC(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)c1 1696935416 BWDXCGNABRXDTQ-QGZVFWFLSA-N 405.462 1.420 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCC2)c1 1697307977 BNMRCVDFXRRKGL-SFHVURJKSA-N 413.478 1.996 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCSC 1698254885 OTTBGRXOZPETPL-JQHSSLGASA-N 420.583 1.932 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1698490450 VOSWRNVPOSENSD-INIZCTEOSA-N 400.487 1.086 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1705567722 ZUXXIKHWJFMRGT-MRXNPFEDSA-N 411.487 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1705574299 AARQVWVMFBRAJL-RTWAWAEBSA-N 417.579 1.440 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@@H]1C 1705706192 QREYHIWDEGAAAY-FTRWYGJKSA-N 416.526 1.049 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCCOC2)n1Cc1nnn(C)n1 1705857103 POZMRMVPVDIXEV-KRWDZBQOSA-N 424.509 1.945 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1705876061 OACGBSWKEYZXRZ-IRXDYDNUSA-N 409.556 1.079 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705897001 DJALQYMUEIRQCJ-INIZCTEOSA-N 411.510 1.451 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCCC1 1705900729 NRRUSJVAAUUWLO-UHFFFAOYSA-N 407.478 1.577 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncn(C)n1 1706422434 XXTSJJLSRQPMOO-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1708295771 CNAIFZKPNOHFJW-CZUORRHYSA-N 411.466 1.237 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1712616810 IUMUJSSVMXMPSD-INIZCTEOSA-N 415.450 1.108 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H](C)CN1CCOCC1 1712622487 QHASSUBLFZHKDS-VJANTYMQSA-N 420.558 1.709 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCSC2)CCO1 1712883078 KIQZEWOHWQSYCZ-MAUKXSAKSA-N 416.463 1.450 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OCC)c1 1722278580 RCAWBUPLZSNCCN-JKSUJKDBSA-N 419.551 1.988 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(OC)c1 1722379475 QQPBIMYTHADSRJ-UHFFFAOYSA-N 417.473 1.190 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2)CC1 1722437752 PVXGHRYSPIIYEK-QGZVFWFLSA-N 417.510 1.123 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CC=CCO2)CC1 1722442320 YJMNKWRHJHDZIG-OAQYLSRUSA-N 407.518 2.000 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722604296 XMLQBYUPDUOISS-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722687205 NCVBMPOWMJFZFK-UHFFFAOYSA-N 424.534 1.640 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722702031 CTAVSMLHWGVQCZ-LSDHHAIUSA-N 401.471 1.507 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(C)(C)OC[C@@H]1C 1722702478 LHBTVPMFTFKKQE-ZOBUZTSGSA-N 407.515 1.308 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1723773669 HKYZKFTXUZBSBA-OAHLLOKOSA-N 422.497 1.528 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 1726398251 PKBUEOHLKSAWHJ-NRFANRHFSA-N 410.522 1.976 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1)OC 1730467197 GBRLOQNYCFUYKA-LJQANCHMSA-N 407.478 1.947 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1740548962 CODHROBGAGCCGN-DOTOQJQBSA-N 421.567 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1740550125 HQIRTUIZPKBSRE-SQNIBIBYSA-N 407.584 1.760 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC2(O)CCC2)c1 1740564334 JWEJXLYFLAKSIC-QGZVFWFLSA-N 409.490 1.753 30 10 HDEE C#CCCCn1c(N2CCC(C(=O)NCC#C)CC2)nnc1[C@@]1(OCC)CCOC1 1740596420 FFAZYKMCXOZBOQ-JOCHJYFZSA-N 413.522 1.309 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1740610104 SGOVTLHDOYAYKG-SJLPKXTDSA-N 417.535 1.484 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCC2CC2)nc1 1740638606 KTLTVNQTQBQJSF-SFHVURJKSA-N 404.474 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@H]1NC(=O)CC1(C)C 1740649481 VGAKXTYDYOHJRN-IAGOWNOFSA-N 401.511 1.380 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)CC 1740666535 SYPOFFLJZGJDOW-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)c2c(C)noc2C)CC1 1740695647 ZXBDSMKHPGSWDB-OAHLLOKOSA-N 408.510 1.842 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cnnn2)CC1 1740833887 DCQOJTCIKRNAKM-UHFFFAOYSA-N 408.470 1.405 30 10 HDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1748493375 HEUXYWAWBFRNLT-CRAIPNDOSA-N 424.571 1.978 30 10 HDEE C#CCCCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1748727252 MVWYBEACZCOSBT-WAOWUJCRSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C 1748789735 BIDAXSSQRCLTNW-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1748811081 BHRWKFKAIXDTJR-INIZCTEOSA-N 417.535 1.859 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC(=O)N(C)Cc1ccccc1 1748848839 UWYLTCOETFXJGT-UHFFFAOYSA-N 412.497 1.995 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)[C@@H]1C 1749038901 YPWJKWUNLFUTKT-SOUVJXGZSA-N 414.622 1.877 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCOCC1 1749142380 ZCRUYCSZPACQNU-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1749476137 YMDBPNBTQWCDHU-UHFFFAOYSA-N 409.498 1.705 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1)C1CC1 1749519050 DWAODEBOLQWUJQ-MRXNPFEDSA-N 424.567 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCSC2(CCCCC2)C1 1749670951 YBYZLPLVEVGNQS-OAHLLOKOSA-N 418.567 1.788 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C#N)o2)CC1=O 1749874441 SLFGZHWTXMURDX-UHFFFAOYSA-N 410.434 1.655 30 10 HDEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1750513882 ATGUQPBWKWAJMY-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760171740 HJJJAVNYVNIGTF-FLPIEVNYSA-N 417.554 1.511 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCOC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760193029 RMHDYSYGCRLION-IKGGRYGDSA-N 410.540 1.114 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC=C 1760219308 APRYNCVBWNCYFZ-QGZVFWFLSA-N 405.524 1.040 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1760219562 HYHTUXHUQWIHTF-AWEZNQCLSA-N 418.548 1.105 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760327496 HTMNZKMOPUJQIS-RYRKJORJSA-N 412.556 1.809 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnnn1C 1760490736 ICCUFLNLARAECA-UHFFFAOYSA-N 413.507 1.704 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2CCOC2)CC1 1760525898 VTUIETOAZCHUJI-LJQANCHMSA-N 410.522 1.819 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760527228 PLCCNGZRKMHKEL-KKSFZXQISA-N 403.527 1.697 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cnn(-c2ccccc2)c1 1760528950 RKKLWBTXDVMBBF-UHFFFAOYSA-N 403.450 1.910 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1760819338 BDNLZVKUVJJOQW-IRXDYDNUSA-N 410.478 1.450 30 10 HDEE CCCNC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1764584664 SVACGMVWZKSYFT-MOPGFXCFSA-N 408.478 1.287 30 10 HDEE CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766584611 CVROSEPKGUWEGV-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1766933626 CUODHNMSHMHZEO-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1767009550 SZFFOYHOMNOVJO-UHFFFAOYSA-N 413.482 1.378 30 10 HDEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1767188828 JPDCJWBOBWLELG-HOTGVXAUSA-N 420.514 1.037 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1771294964 ZBUVLZZQVHRKBS-OKYOBFRVSA-N 419.526 1.672 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCC(=O)N2CCOCC2)cc1 1771534471 CBWKXNROSYUFMI-UHFFFAOYSA-N 422.489 1.744 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1771535289 HTOYLZMFMMWZQZ-SFHVURJKSA-N 414.535 1.971 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)CC1 1848740003 UWZHIMKEXLHTRC-UHFFFAOYSA-N 400.442 1.978 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNS(=O)(=O)c3cccc(Cl)c3)CC2)c1 1849808499 HPKLGQWGGMUNEP-UHFFFAOYSA-N 418.906 1.839 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)c2cncc(I)c2)C1 1849827279 YAHWFVTWJHTAHU-UHFFFAOYSA-N 406.183 1.856 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N([C@@H]2CCc3ccccc32)C1 1850493873 NSBCLTXCQYLMHY-WMLDXEAASA-N 409.467 1.788 30 10 HDEE Cc1ccccc1C(=O)N1CCCN(C(=O)CCON=C(N)c2ccncc2)CC1 1853556467 PRHYVUAPDRHNEY-UHFFFAOYSA-N 409.490 1.792 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCSCc2nnnn2-c2ccc(F)cc2)CC1=O 1853639220 XCOXJVCCTIPCRN-ZDUSSCGKSA-N 405.455 1.612 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCCc4nc(OC)c(C)cc43)C2=O)CC1=O 1853689472 JJOAVNONBWIXIB-RDJZCZTQSA-N 412.490 1.313 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)CSc2ccncc2)C1=O 1854131806 SAUWVBNNTWKUAG-ROUUACIJSA-N 416.547 1.800 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)c1 1854316092 UAVJDTHZEGVNTR-RTBURBONSA-N 410.474 1.013 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854643404 LRSGEZSYJGXIHH-LLVKDONJSA-N 403.382 1.649 30 10 HDEE C=C(C)CN1CCN(C(=O)Cn2cnc(-c3ccc(OC)cc3)cc2=O)C(=O)[C@@H]1C 1854822003 WUGAAMZTIPAOFH-INIZCTEOSA-N 410.474 1.554 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)CCc3ccon3)C2=O)C1 1854872221 FKCSTQVBYCMOPZ-SFHVURJKSA-N 409.446 1.545 30 10 HDEE Cc1cnn(CCN2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)c1 1856408628 OEKUQJPMRIJFCE-HXUWFJFHSA-N 406.490 1.122 30 10 HDEE Cn1cc(CCC(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)cn1 1856460382 XDLGBMZOYFQQKI-IBGZPJMESA-N 406.490 1.626 30 10 HDEE CCC[C@@H](F)C(=O)N1CCN([C@H]2CCN(CCOc3ccc(C#N)cc3)C2)CC1=O 1856664222 DQDXZFFMJAGBOF-AZUAARDMSA-N 416.497 1.820 30 10 HDEE CS(=O)(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856942353 ZVIUDBBKWATAAB-GOSISDBHSA-N 417.531 1.375 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)C[C@@H]4CCOC4)C3=O)CC2)n1 1856976669 VJRUASDTCGRMAI-HKUYNNGSSA-N 412.490 1.598 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccccc3Cl)C2)CC1 1857027310 XRAIYUZYHBDIPX-AWEZNQCLSA-N 409.895 1.894 30 10 HDEE C=CCCN1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C(=O)C1(C)C 1857090117 LBTPJEZUILRRKJ-AWEZNQCLSA-N 419.503 1.245 30 10 HDEE COc1cccc(C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)c1OC 1857154585 XTXMKNVWKHHHQA-INIZCTEOSA-N 400.479 1.366 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1857225221 ZRPQEQGPQRKHEV-IAGOWNOFSA-N 416.547 1.943 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1858403704 SUHFSTNQUYGWKE-OAHLLOKOSA-N 413.455 1.979 30 10 HDEE CN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1 1859116859 GCUJYJCAJACAIT-IBGZPJMESA-N 405.458 1.959 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2[N+](=O)[O-])c1 1862557402 IQSYPVGYMJWVIC-GOSISDBHSA-N 424.413 1.891 30 10 HDEE Cc1cc(C(=O)NC(C)(C)C(=O)Nc2ccccc2C#N)cc(S(N)(=O)=O)c1 1867234351 CQJPMNPLDKKDQK-UHFFFAOYSA-N 400.460 1.661 30 10 HDEE COCCOC(=O)c1ccc(N2CC(=O)C(c3nc(O)c4ccccc4n3)=C2N)cc1 1872730310 APXYZGSQPHBFOS-UHFFFAOYSA-N 420.425 1.855 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(F)c2)CC1=O 1874273538 IHNCKTRLNXIPLJ-IAAMAZNWSA-N 418.498 1.991 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889316574 FCLHIHFGMKNJQA-UHFFFAOYSA-N 402.539 1.482 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(Cn3cncn3)C2)[C@H]1c1ccc(C#N)cc1 1892114949 QUFILUFAJNUDDV-UXHICEINSA-N 424.530 1.702 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)NCB2OC(C)(C)C(C)(C)O2)CC1 1985098087 PBMVMORVSSDPLH-UHFFFAOYSA-N 412.292 1.836 30 10 HDEE CN(C)[S@](=O)(=NC(=O)C#CBr)N1CCN(C(=O)OC(C)(C)C)CC1 2006267946 KXAGNEQXEQYMKD-XMMPIXPASA-N 423.333 1.281 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc(Br)n1C 2010350855 KYAVDGYHDFXKAA-JTQLQIEISA-N 400.277 1.501 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895867 PVOWOTAPNCEYPQ-ZDUSSCGKSA-N 421.303 1.453 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)[nH]1 2069517043 KWDVJVTYBUPOQQ-GUYCJALGSA-N 403.446 1.876 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2192473829 RIBHNRMSVDIDNG-CVEARBPZSA-N 402.561 1.643 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2243428509 MUBFIXHIASJWNU-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)[C@H](O)C1 2247278569 JTRFMKKNNOXTJF-UONOGXRCSA-N 423.294 1.912 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819927 KYEZWMYGOXAVIM-TZMCWYRMSA-N 420.319 1.694 30 10 HDEE C[C@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)[C@@H](C)NC(=O)OC(C)(C)C 2247835844 RKYYDLQUWGEKGI-QWHCGFSZSA-N 420.319 1.807 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)C(=O)OC(C)(C)C 2247838052 BVUCDDIJGYVGBQ-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cc1c(C(=O)N(Cc2ccccc2)C2CNC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247840379 MCGSRASCZOACGK-UHFFFAOYSA-N 410.327 1.642 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258156100 DBEWHEPKZAOPTK-MRXNPFEDSA-N 408.476 1.320 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N(CCC#N)C(C)C)NC(=O)OCc1ccccc1 2258167457 GRYNRCCFTNDZJS-MRXNPFEDSA-N 411.480 1.408 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366374 FMUNJNQYCFULOM-ZZDSUILFSA-N 408.376 1.181 30 10 HDEE Cc1csc(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282010519 XBOPFLUZMJXMBD-VXGBXAGGSA-N 401.359 1.907 30 10 HDEE CCn1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282035466 VXISGASUIBWGJO-AWEZNQCLSA-N 405.304 1.427 30 10 HDEE CN(CCN(C)S(C)(=O)=O)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282209569 UOCUBEFJQICNIZ-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC(C)(C)CN)sc1B1OC(C)(C)C(C)(C)O1 2282311824 NPJCPQPHRBFKJS-UHFFFAOYSA-N 402.391 1.961 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2NCC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315621 QFOYVJYSXAKWRR-YPMHNXCESA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)C[S@@](C)=O 2282326770 XPGIHYSEROLNPQ-SSINHNECSA-N 421.415 1.743 30 10 HDEE CCCN1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349737 CMGBORUZEHQJAP-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282410343 WBNYTWLQVOIYRX-QGZVFWFLSA-N 401.359 1.900 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CCOC2)OC1(C)C 2282837936 IDGPZSIZKSZBDM-GFCCVEGCSA-N 401.721 1.954 30 10 HDEE C[C@H]1CNC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853397 CFVYBNQXHQOKGV-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)Nc3nc(CCN)cs3)c2)OC1(C)C 2282857552 JSHJNYLEGONSAS-UHFFFAOYSA-N 415.371 1.806 30 10 HDEE CNC[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282863560 TVIXJCYWWABGMV-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC(F)(F)C[C@H](CO)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882503 MSSSZUVAAFHDGN-SNVBAGLBSA-N 411.301 1.732 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)OC1(C)C 2284394479 YRQIJMHESZVVLW-LLVKDONJSA-N 401.315 1.533 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C(=O)O 2284399763 ODXCQGVKAZWVMH-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE COc1cc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 2296930518 MYOTUVTUPDOBMG-QGZVFWFLSA-N 403.387 1.424 30 10 HDEE CN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2300273818 KSHSGXLSGXAQRF-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338833238 JWHZWBOKXMEZOX-QGZVFWFLSA-N 420.487 1.629 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2363924514 ZZINZUAPHLKPMM-HUUCEWRRSA-N 415.581 1.973 30 10 HDEE CC(C)(CNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1)NS(C)(=O)=O 2364846373 KIQZFSQDCNPEEF-UHFFFAOYSA-N 403.741 1.774 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792820 RYIDTOPGBRVVRT-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE CN(CCC[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1)C(=O)OC(C)(C)C 2367812311 RPMDFDJXHBLWAS-QAPCUYQASA-N 402.557 1.683 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367817010 JPMOJTQDVZTQRR-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CCOC(=O)c1sc(NC(=O)CCSc2nnc(COC)n2N)c(C#N)c1C 20904865 HGYMVFXCGRVMGH-UHFFFAOYSA-N 424.508 1.678 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(Br)c2)CC1 27560129 DOPPMWIAVMCGID-AWEZNQCLSA-N 409.328 1.696 30 10 HDEE C=CCn1c(SC[C@@H](O)CN2CCOCC2)nc2sc3c(c2c1=O)CCC3 38391789 OIXJQJCGTXZLSS-ZDUSSCGKSA-N 407.561 1.918 30 10 HDEE CCN(CC)c1ccc(N2C(=NC(=O)COC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254820050 TWZKDOXSDLSSDK-JKSUJKDBSA-N 411.549 1.781 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)cc1 435297400 JTOOPVRQEHKSNP-MRXNPFEDSA-N 412.471 1.734 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n(C)n1 436282756 ULRREIXUBXAEHU-GOSISDBHSA-N 415.519 1.300 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 437477350 TXVITBHOGHPXIM-ILOCAZANSA-N 412.552 1.194 30 10 HDEE Cc1nsc(N2CCN(C(=O)C3CCN(Cc4nccn4C)CC3)CC2)c1C#N 461190326 HTPKYQJJUFLLNU-UHFFFAOYSA-N 413.551 1.618 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)S(=O)(=O)CC1(C#N)CCC1 477515761 HUPVYDQMODNIJT-UHFFFAOYSA-N 400.522 1.814 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@]2(CCOC2)O1 478344518 PQODEIKAFNKDED-ZSZQSSIHSA-N 407.492 1.022 30 10 HDEE N#Cc1c(N2CCN(CC(=O)N3CCOCC3)CC2)nc2c(c1C#N)CCCCCC2 479919177 WYDINPOTEPLLHB-UHFFFAOYSA-N 422.533 1.465 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 489986344 PTGUAZYFROGKND-IRXDYDNUSA-N 423.477 1.041 30 10 HDEE COC(=O)C(C)(C)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 494381214 ABGJLMINACWEAS-UHFFFAOYSA-N 410.478 1.252 30 10 HDEE COC(=O)[C@H](CNC(=O)c1cc(C#N)c(SC)nc1O)Cc1ccc(O)cc1 500922946 IMMBVSCCHKWIMK-ZDUSSCGKSA-N 401.444 1.848 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 508824834 IQMMUPBUVRTAGF-AEFFLSMTSA-N 404.559 1.930 30 10 HDEE Cc1noc(CN2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)n1 513101587 HDMDXEPHXVDRNX-UHFFFAOYSA-N 410.413 1.924 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccncc2OC[C@@H]2CCOC2)CC1 514135604 COECVAGQERBWDB-QGZVFWFLSA-N 422.489 1.795 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 518461766 CXLNTZRGEWQEKY-HNNXBMFYSA-N 420.516 1.851 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccc(S(C)(=O)=O)cc1 523498409 GRNXWIMUPWPFMZ-UHFFFAOYSA-N 409.471 1.845 30 10 HDEE C=CCCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 533835427 RQIZLYXUUKNHER-UHFFFAOYSA-N 412.468 1.203 30 10 HDEE CCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549362998 RMDZAJSTMFZNRQ-QGZVFWFLSA-N 411.510 1.802 30 10 HDEE Cc1nc(SCC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c(C#N)c(C)c1C 553247531 DKILKCQJHCOELS-HNNXBMFYSA-N 410.565 1.901 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 554303872 ISQDVTACRRKCQV-IBGZPJMESA-N 419.551 1.200 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 559011109 PTAVDDDDRPKKLR-IAGOWNOFSA-N 409.556 1.980 30 10 HDEE CCOC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 564133015 BMPXQTCDFIDCBP-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCn2cnc3c(cnn3-c3ccccc3)c2=O)nc1 580945009 SAAWDDMLBAZBPQ-UHFFFAOYSA-N 406.427 1.323 30 10 HDEE C(#CCN1CCCC[C@H]1CN1CCOCC1)CN1CCCC[C@H]1CN1CCOCC1 671241596 WSFNHRNKSYPQKO-ZEQRLZLVSA-N 418.626 1.363 30 10 HDEE C#CCN(C(=O)CCCOc1ccc(C(C)=O)cc1OC)[C@H]1CCS(=O)(=O)C1 729334083 IFDKPFMTHBIHEP-KRWDZBQOSA-N 407.488 1.706 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN1C1CC1 732700722 JHBDUOYECPTGNR-YLJYHZDGSA-N 410.522 1.270 30 10 HDEE O=S1(=O)N/C(=N/CCCCCc2nc(Cn3cccn3)no2)c2ccccc21 733867460 DUPRFJXBNKCRQV-UHFFFAOYSA-N 400.464 1.766 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 735876436 HLOIXIBQFJECHS-WBVHZDCISA-N 424.542 1.193 30 10 HDEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 735969988 RNHFPKMIXZFNKR-LTUQMTLXSA-N 423.970 1.745 30 10 HDEE C#CCN(C(=O)[C@@H](C)Oc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 742051747 BVYIEMBSDDLPQJ-TZMCWYRMSA-N 400.294 1.865 30 10 HDEE CC1CCC(NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)CC1 742400880 KQWURDZMNHUDSR-UHFFFAOYSA-N 419.551 1.023 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1 744143369 BWKDDFCQTAUUJK-KRWDZBQOSA-N 412.471 1.619 30 10 HDEE C#CCN(CC(=O)Nc1c(C)nn(-c2ccc(C)cc2)c1C)[C@H]1CCS(=O)(=O)C1 744398951 UQZBNVSNEGYHSC-IBGZPJMESA-N 414.531 1.858 30 10 HDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1C#N 746991399 XMSKACSMGSUVQP-UHFFFAOYSA-N 417.443 1.547 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@H](C#N)c2cccc(Br)c2)c(=O)n(C)c1=O 749374584 XWNJKKNITLAQCE-LMVHVUTASA-N 403.236 1.241 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1c(F)cccc1I 761525773 XJVDUPNQJWMMCJ-QMMMGPOBSA-N 420.178 1.987 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 763167047 ZVJBTXKEDZMGSB-SJLPKXTDSA-N 420.922 1.995 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ncccc2C(F)(F)F)c(=O)n1C[C@@H]1CCCO1 765665404 OUTCXERNSMHFBB-LBPRGKRZSA-N 406.389 1.529 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CCCC1 779318969 SFPBQQXCMLOFNN-OAHLLOKOSA-N 409.533 1.812 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 780207549 WSNCEFQFODUXTP-MGPUTAFESA-N 409.442 1.578 30 10 HDEE COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780915590 VJNJBKNJGHMUQK-HXUWFJFHSA-N 408.458 1.627 30 10 HDEE COC(=O)[C@@]1(NC(=O)[C@H](O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 780969035 JZBOFRRUQAXNKX-NFBKMPQASA-N 407.470 1.916 30 10 HDEE CCn1ncnc1CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 794440551 FNGSPMKQYYSCIC-MRXNPFEDSA-N 423.502 1.970 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C1 796129302 NYLZKTJRYAMVQW-CVEARBPZSA-N 413.503 1.579 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 804161494 RKGRVIBKSIIBDS-MRXNPFEDSA-N 404.442 1.733 30 10 HDEE COc1cc(CNS(=O)(=O)CCNC(=O)OCc2ccccc2)ccc1C#N 810082298 JIZIFVVDTDYEMF-UHFFFAOYSA-N 403.460 1.913 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cnc(C)nc1N 816575874 BFPOLKFTXKJJDQ-OAHLLOKOSA-N 416.507 1.281 30 10 HDEE C#CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)[C@@H]1CCS(=O)(=O)C1 918756308 QJQKVLKUPXUDRC-MRXNPFEDSA-N 401.488 1.693 30 10 HDEE C=CCCO[C@H](C)C(=O)N1CCC(=O)NCCN(c2nc(C3CCC3)ns2)CC1 952879503 IYFGTLZPTLDRAO-OAHLLOKOSA-N 421.567 1.942 30 10 HDEE COCCn1cc(C=NNc2nc(SCc3nnc(C(F)(F)F)o3)n[nH]2)cn1 1084632448 WCXRRFPIRSQGCL-UHFFFAOYSA-N 417.377 1.788 30 10 HDEE N#CCc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1116432811 LQPQLHREHNJHGM-PMACEKPBSA-N 424.526 1.630 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1Br 1126710819 ACXOTOXAHCMBOL-OAHLLOKOSA-N 410.268 1.486 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 1133394921 WXLYACSYOHHRKY-JSGCOSHPSA-N 405.398 1.718 30 10 HDEE C#CCN(C(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CSC1 1146873402 HSMVIVWREOFIQA-KRWDZBQOSA-N 404.488 1.812 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(=O)N(C)c2ccccc2C1 1147754669 IGEBOZFRDWRTQX-AWEZNQCLSA-N 412.471 1.230 30 10 HDEE Cc1ccc(C(=O)NC[C@H](C)CN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1147843575 MXTPCTNTLSKPBZ-INIZCTEOSA-N 402.344 1.992 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2ccc(N(C)C)nn12 1156828156 KUBHFBCRTXOERL-LBPRGKRZSA-N 423.905 1.842 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)c1 1162409757 ANJBIRODABVVRW-GOSISDBHSA-N 401.444 1.628 30 10 HDEE COC(=O)[C@H](c1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1176432129 MSQQQBKXAGHIEX-DZKIICNBSA-N 402.394 1.790 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1178466770 XUHCFCIVFFUFDG-KMFMINBZSA-N 403.483 1.630 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(=O)NCCO3)c1 1185624077 DZLVEEWBRDOZNA-UHFFFAOYSA-N 413.455 1.049 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Br)nc2F)c1 1185655409 UQONZQVNWXZUKD-UHFFFAOYSA-N 412.240 1.882 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)Cc1ccc(Br)c(F)c1 1188507188 HFCBJHUFMZJPJN-UHFFFAOYSA-N 400.291 1.608 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(O)CCS(=O)(=O)CC2)cc1 1199059235 POZQBFPMWVYYLC-UHFFFAOYSA-N 421.519 1.562 30 10 HDEE C#Cc1cccc(CNC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 1230087689 WHHXKULYPKUVCM-UHFFFAOYSA-N 416.459 1.891 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1251731284 CBJCOYBRNIHKFG-QZTJIDSGSA-N 418.494 1.869 30 10 HDEE CN1CCOC[C@H]1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1254222244 KARWWERKFUVMCM-GOSISDBHSA-N 409.494 1.111 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1286272610 BJOOFGAXOWMNTM-IERDGZPVSA-N 419.526 1.059 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCOCCOC 1286369065 BGLRZPZLLLEYPI-UHFFFAOYSA-N 410.478 1.315 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C(C)C)C(C)C)CC1 1286469489 HMHHEYSSWRLMNZ-UHFFFAOYSA-N 403.575 1.290 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2([S@@](C)=O)CCC2)CC1 1286480297 VGZMWIJDNFKZAP-GDLZYMKVSA-N 412.563 1.705 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@@H]2C1 1286716343 LIJWZERJUNMSBA-FHWLQOOXSA-N 421.542 1.116 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1286724472 ISJJYMAVPGUYNA-UHFFFAOYSA-N 408.514 1.734 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1-n1cccn1 1286726545 FXFXLSFUERQCQC-MRXNPFEDSA-N 413.507 1.431 30 10 HDEE NC(=O)c1c(F)cc(Cl)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1289426184 GZCQTJYLUVKHFG-UHFFFAOYSA-N 410.814 1.255 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)s1 1290680974 CSICIMOCWLCOHT-TZMCWYRMSA-N 423.568 1.711 30 10 HDEE Cc1nnc(S)n1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1293742897 IJMGKIXNXFDVBZ-SHYRYGCCSA-N 420.539 1.778 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)OCC)C2CCC2)s1 1296150439 MWKRFAUADLJSIY-UHFFFAOYSA-N 400.522 1.699 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@H]1C)c1cc[nH]n1 1299616532 LEOVQOFASMGMCI-KGLIPLIRSA-N 422.482 1.662 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@H](C#N)C1 1300404428 WAULNPGVWMAKDG-OAHLLOKOSA-N 413.507 1.380 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1300470366 NNDXKZRVNMTXTI-UHFFFAOYSA-N 406.494 1.586 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCN(CC)S(C)(=O)=O 1300801148 HHVRSGXPUFCRCV-LJQANCHMSA-N 417.539 1.399 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](CCC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1301212851 HXJVQMZGSOQLDB-CQSZACIVSA-N 419.482 1.364 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1301261575 JHAPMTPMIQBXMQ-HZPDHXFCSA-N 424.571 1.243 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1301411588 ZRTJPZXDDTXZCX-KRWDZBQOSA-N 415.494 1.599 30 10 HDEE CC(C)n1cc(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)c(O)nc1=O 1302940630 NGIXSBBOMICWML-UHFFFAOYSA-N 411.462 1.873 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2c[nH]cc(I)c2=O)cc1 1303712324 ZTECLURUMFLZTO-UHFFFAOYSA-N 422.182 1.220 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1305083369 OIZJHLWNYUPABX-MQINBFPNSA-N 408.466 1.496 30 10 HDEE CCc1nnc(N2CCC(CCCO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306134947 PUUPQCPTYOXDHF-HNENSFHCSA-N 402.499 1.356 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)c1 1309511174 IQIUGEHMNQXRSS-HNNXBMFYSA-N 407.536 1.905 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OC 1309760810 IYMIZASYULNGEA-KRWDZBQOSA-N 422.507 1.877 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](OC(=O)N(C)C)C2)cc1 1310131614 QXEZTYSJWKMATD-OAHLLOKOSA-N 410.496 1.798 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCCC1 1316296890 DCHZBGRAKXMRMU-OKYOBFRVSA-N 418.542 1.463 30 10 HDEE C[C@@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1349042049 MCICDPAEQVFTNA-JTQLQIEISA-N 406.327 1.893 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1358927621 DIXPDTZIKVXKLX-SFHVURJKSA-N 404.478 1.860 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358959172 CYWLPAAGTXSRQC-QRWLVFNGSA-N 420.510 1.872 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358963801 OFJGNPBKTUPDMN-TVFCKZIOSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1358994823 XGHQPKONDPHNRS-RBUKOAKNSA-N 417.579 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)CN1CCOCC1 1359021030 ZJBHRMPCUPMLFI-IBGZPJMESA-N 422.533 1.871 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1359069339 JGFUFGDEFWYMEH-HRAATJIYSA-N 400.527 1.332 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC(C)C)CC1 1359294776 DQMJQWOMOXQJRG-UHFFFAOYSA-N 416.526 1.696 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1359634730 CEAILYRPXRRWHP-UHFFFAOYSA-N 423.521 1.551 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)CCCN(C)C(=O)c1ccncc1 1435469478 DNESCVPHCFDODE-UHFFFAOYSA-N 412.450 1.859 30 10 HDEE C=C(C)CCC(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1435702655 ZHZQUYGCDAVZCD-UHFFFAOYSA-N 404.510 1.264 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1 1450599167 GCZVQDDPRKATQV-SFHVURJKSA-N 400.460 1.263 30 10 HDEE Cn1cccc1C(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1453921604 MNZPXBOGYSKDIH-MRXNPFEDSA-N 417.510 1.897 30 10 HDEE C#CCN(C(=O)c1cnn(C(C)(C)C)c1Br)[C@@H]1CCS(=O)(=O)C1 1456086219 MJEQFLRAXXOQBT-LLVKDONJSA-N 402.314 1.663 30 10 HDEE COc1ccc(C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c(OC)c1 1459351589 QJAHFJNFXYBIMX-QGZVFWFLSA-N 417.506 1.533 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1462661826 MRNCPBAEJSGANG-HNNXBMFYSA-N 422.507 1.618 30 10 HDEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)CCc2c(C)nc(O)c(C#N)c2C)O1 1462967505 LVTHYRVLKOVARU-SNRMKQJTSA-N 403.479 1.630 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1465754087 RLMMFBXERAEAFE-KXSVDRQTSA-N 419.526 1.693 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1470111385 HMXOCQTWZLAOKW-NSHDSACASA-N 408.307 1.345 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCNC(=O)CCCc3ccccc3)CC2)nc1 1470589217 UBKCEOCBDCGBLJ-UHFFFAOYSA-N 420.517 1.924 30 10 HDEE N#Cc1cc(Br)cnc1NCCS(=O)(=O)NC[C@H]1CCCCO1 1472697498 ISTQNTHLPBEJSR-CYBMUJFWSA-N 403.302 1.616 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C1 1473689432 VSRRTRPOEZDERL-QZTJIDSGSA-N 406.552 1.891 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccn(C(C)(C)C(=O)OC)n2)n1 1476885624 SOVMANAZUYGUNT-UHFFFAOYSA-N 402.455 1.301 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CO1 1479471765 LCTDIOFVQFPWKU-OAHLLOKOSA-N 402.455 1.336 30 10 HDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1503303825 UBYFAWPNZCPFBM-WVDZOPJMSA-N 403.508 1.722 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C[C@H]2CCCOC2)CC1 1506350091 JYENKJIBBHBFIS-UCTAPSKPSA-N 400.519 1.679 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507593655 SFYVDNWOGFRQST-HXUWFJFHSA-N 411.506 1.654 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ncccc2N(C)C)CC1 1507723243 AIDFHPYHYRGLSN-UHFFFAOYSA-N 416.533 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCN2CCSCC2)CC1 1507737198 ZYGQKCDBZMJBLK-KRWDZBQOSA-N 418.611 1.806 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507757268 WQOHACXYLDSEQK-ROUUACIJSA-N 410.547 1.878 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(c2nc(C)no2)CC1 1508083799 COAUDSOEBMEAQK-UHFFFAOYSA-N 422.493 1.642 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1508084265 KSDXHYNWVQTFHQ-UHFFFAOYSA-N 423.521 1.061 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC=C(C)C1 1508090207 DTJUBVZOIUJELR-UHFFFAOYSA-N 400.508 1.728 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NC)CC1 1508164851 NADZTPOOFKMYOZ-UHFFFAOYSA-N 401.540 1.645 30 10 HDEE C[C@@](O)(Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510233762 GSKOAUIGJZXKJK-SIKLNZKXSA-N 404.474 1.900 30 10 HDEE Cn1cc(-c2nnc(N3CCCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1517374098 HWIKEKIGVCSVBY-ZZEZOPTASA-N 424.509 1.976 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518879900 FWBMVQKHWWACFN-BSBNDGSWSA-N 422.489 1.944 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)O[C@@H]2CCC[C@@H](C#N)C2)C1 1528079616 CNTUTAOSJDDLMF-DEXNDLTESA-N 412.508 1.894 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1 1539021245 HMLLMXKEEKDUSZ-WOJBJXKFSA-N 409.582 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1539332251 JHDPUSPZEIIOSF-UHFFFAOYSA-N 424.574 1.557 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@](C)(O)CCOC)CC1 1539441451 PHZJAALXOBOXHH-OAQYLSRUSA-N 401.486 1.627 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1539527006 RSFYFTRLHUFLQF-IBGZPJMESA-N 420.627 1.786 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCn1cccn1 1539613147 VYAVGAZTZYQWHB-ZWKOTPCHSA-N 413.526 1.828 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539721808 HYQCVHPBGGVIQG-IAGOWNOFSA-N 416.526 1.354 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539744168 DHLHGLARIPLWOE-HZPDHXFCSA-N 402.499 1.023 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539778480 BFYZARSPFBDQKW-HZPDHXFCSA-N 410.906 1.857 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 1540799344 CLUUKJVRDVEGID-GOSISDBHSA-N 420.554 1.306 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1540917199 PULCOPDMPDWGNW-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1540917201 PULCOPDMPDWGNW-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1541992633 NTAXFENXHSVAMT-GJZGRUSLSA-N 415.498 1.290 30 10 HDEE C#CCSCC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1542188081 WITRZUZVYZJAOI-INIZCTEOSA-N 409.552 1.671 30 10 HDEE Cc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543283358 UTHMZNVDKUILDB-ZCXUNETKSA-N 400.483 1.510 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC1(C(N)=O)CCOCC1 1546530780 BSYKHBNJPHROET-UHFFFAOYSA-N 423.521 1.321 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)cc1 1556953512 HNSHZBOLCVSGFC-UHFFFAOYSA-N 405.407 1.987 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1557534210 OHYQHPSBYZGLHD-JJXSEGSLSA-N 416.540 1.506 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cc(C2CC2)ccc1OC)c1cc[nH]n1 1558147160 ACYPKDKZQWXDRI-UHFFFAOYSA-N 400.435 1.896 30 10 HDEE Cn1cc(/C=C\C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(=O)n(C)c1=O 1558163937 NCMNGFWZSPCGNH-FPLPWBNLSA-N 403.288 1.182 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1558300699 VSQLHDKFUPDUIC-GOSISDBHSA-N 407.474 1.082 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1561573633 DUSPJIMLADQWRM-MRXNPFEDSA-N 414.553 1.100 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1564957983 PHFKKQZQKPCKIN-HKUYNNGSSA-N 421.519 1.496 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1569183897 GVWADKBOVKRKKW-KRWDZBQOSA-N 415.446 1.509 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 1569184581 RZJFWHGJBGIVBB-OAHLLOKOSA-N 424.475 1.105 30 10 HDEE Cc1[nH]nc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1I 1570848787 RLYGFEPTGFUFEZ-QBFSEMIESA-N 415.191 1.178 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 1585593851 POCBWSFNPQZJCS-MRXNPFEDSA-N 413.474 1.801 30 10 HDEE C#CCN(C(=O)CCOCC1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585667389 SOHJSCYTZAYUQE-JRHPMUGDSA-N 400.519 1.679 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1586078629 GSQYTYUGPKDMKV-CQSZACIVSA-N 414.487 1.154 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793041 FNICATBPWSRAHF-NPPFBWRTSA-N 415.538 1.837 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1587841770 GFPLGJYRTVDHPC-UHFFFAOYSA-N 402.524 1.519 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1587855739 AQMLWNKBVRQDHC-SFHVURJKSA-N 400.527 1.923 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1587861293 JLCNVSQSBYAGIR-QZTJIDSGSA-N 405.568 1.658 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1c(C)noc1C 1587974939 GSKUAQDMESAMNL-UHFFFAOYSA-N 403.446 1.915 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1587989722 NPVGHEULKJQPPD-SNVBAGLBSA-N 419.454 1.773 30 10 HDEE C[C@@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)N1C(=O)NC2(CCCC2)C1=O 1588013842 CBVRYDSMJDOVIQ-HNNXBMFYSA-N 410.474 1.933 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588049813 LNNPPJOBPNSOIN-FUHWJXTLSA-N 415.519 1.393 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)c2ccccc2OC(F)F)CC1 1588199637 VQLYXHYXHKVLAN-BUHFOSPRSA-N 413.446 1.303 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@](C)(O)CC)CC1 1588779771 CELXSOSVNDCOPF-JOCHJYFZSA-N 413.522 1.879 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccnc(OC(F)F)c2)CC1 1588871771 PRJONMLHJMDXEX-UHFFFAOYSA-N 406.437 1.615 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC)[C@H](C)C1 1595506626 HNGCSIVQDNMJSL-CQSZACIVSA-N 403.918 1.826 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C)[C@H]1C 1595789175 ONQZSKXMRHOCCM-KGLIPLIRSA-N 410.569 1.610 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Br)nc1O 1596099596 SKAZEBKIRUTEPU-SNVBAGLBSA-N 403.240 1.562 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)CC(=O)OC 1596295771 IUQZJFRPTLQFFI-HNNXBMFYSA-N 423.535 1.989 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2ccc(C3(C#N)CC3)cc2)C1 1596925631 ZURSHUFWFNENOR-UHFFFAOYSA-N 410.474 1.803 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(C)[C@@H](C#N)C3(SC)CC3)cc2S1(=O)=O 1597812051 CYXSZHXIZLTXPL-HNNXBMFYSA-N 423.516 1.337 30 10 HDEE CCCN1CC[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1614840463 GFOWIDGLLUVAKI-GOSISDBHSA-N 423.521 1.397 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(Cn4cnnc4)CC3)C2=O)cc1 1616694764 HUXVAPXAEVOZHQ-GOSISDBHSA-N 421.461 1.294 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](C)Oc1ccc(C#N)cc1)CCS2(=O)=O 1618581002 KJUQGOCWBALNFI-IRDXTQHGSA-N 420.487 1.341 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOC2=O)C[C@@H]1O 1620300098 TXTWZQAFAOIIJJ-QAPCUYQASA-N 410.478 1.866 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCOCCCO)c1 1620348813 HYRXGLQVYJGZEL-OAQYLSRUSA-N 410.478 1.075 30 10 HDEE COC(=O)[C@@H]1[C@H]2CN(S(=O)(=O)c3cc(Br)c(C#N)cc3F)C[C@H]21 1622168916 AQFKFYFHEMJBPX-WOFXILAISA-N 403.229 1.499 30 10 HDEE C#CCO[C@H](C)C(=O)NC[C@@H](O)COc1ccc(I)cc1 1622536411 NCURULIWZCZDAK-DGCLKSJQSA-N 403.216 1.185 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1623973297 FHRUAKCVROULTF-LIRRHRJNSA-N 409.483 1.706 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(=O)N(C)C)C1 1626435851 AXJKMGUVWDBFHW-ZBFHGGJFSA-N 420.535 1.077 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1628350508 AAOKQTFWFYPJAB-KRWDZBQOSA-N 407.511 1.394 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H](CC#N)c2ccccc2)c1 1628423611 HRTVVZMZMXFRRR-LJQANCHMSA-N 401.488 1.925 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2cnc3c(Cl)cnn3c2)c1 1628777877 PUACNOGPUIFVSL-UHFFFAOYSA-N 421.841 1.792 30 10 HDEE N#CCN1CCN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1 1629536729 AIQVBDPQCMDOMY-UHFFFAOYSA-N 424.832 1.305 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)nc1 1633498811 PARGIPWGILRZEI-KBPBESRZSA-N 401.410 1.882 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OC(C)(C)C)CCCC1)c1cc[nH]n1 1634136338 VBNTUPSXCZADQN-UHFFFAOYSA-N 408.455 1.464 30 10 HDEE Cc1nn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)o1 1636463274 DAHYNYMAKVCHQN-RNFRBKRXSA-N 409.233 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 1638010561 GBHLOJFCYQUCGX-JKSUJKDBSA-N 418.498 1.461 30 10 HDEE CC(C)(C)OC(=O)C1CC2(CC[C@H](CNC(=O)N3CCN(CCC#N)CC3)O2)C1 1638224460 XLGLVKYRANIJBJ-BQIYRTECSA-N 406.527 1.897 30 10 HDEE CC(C)[C@@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)N1CCN(C)CC1 1638404434 FMNNSESLWGSCPH-QZTJIDSGSA-N 409.575 1.962 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1641718720 FSHKDLZNFPWKJB-QZTJIDSGSA-N 424.542 1.523 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 1643769497 OIJKXNIFYJMVQJ-NSHDSACASA-N 410.862 1.080 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1643888280 JHONAUBIWVLCDC-KRWDZBQOSA-N 423.498 1.334 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1Cc2ccccc2NC1=O 1648602738 DEYRTWQPFRIFDG-INIZCTEOSA-N 412.471 1.185 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)CC1 1652325323 PPAUESPGOHHTOD-QZTJIDSGSA-N 420.554 1.832 30 10 HDEE Cn1c(N[C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(C#N)c(=O)n(C)c1=O 1655487527 KJNPZYKCGWSGGU-GFCCVEGCSA-N 412.400 1.524 30 10 HDEE C#CCOc1cccc(NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c1 1659226720 SIFHOKRGCWRYAO-UHFFFAOYSA-N 416.503 1.946 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)(C)C 1660072172 HXOKMPXYJFAHFF-GOSISDBHSA-N 422.551 1.943 30 10 HDEE CC(C)(C)NC(=O)CN1CCC(CNS(=O)(=O)c2ccccc2CC#N)CC1 1661965465 HOEGGOYUKXVNTH-UHFFFAOYSA-N 406.552 1.658 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OCC 1663384748 OCVNHGGKYHOYST-LLVKDONJSA-N 400.409 1.542 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)CC1 1667121300 VIABWHHKJYGDHD-UHFFFAOYSA-N 412.943 1.412 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1672601394 MWHFYZLCIJLDJE-OAHLLOKOSA-N 407.492 1.593 30 10 HDEE C#CCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689922930 FPWKFBNWOJCZJM-AWEZNQCLSA-N 412.881 1.159 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941407 PDFAXNFRSSEBMT-FTRWYGJKSA-N 404.467 1.846 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689986110 IYPUEQQBLCKNBP-CABCVRRESA-N 405.549 1.796 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CC(C)(C)C(=O)NC 1690028131 LKMHHRWWPMLJBE-UHFFFAOYSA-N 409.490 1.711 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1csc(COC)n1 1690029681 HODRSLVKNYDRSU-UHFFFAOYSA-N 400.508 1.530 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)OC)CC1 1690128876 LBXVMCKVFCDMCY-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690226866 OOYVIGXADQBKMU-INIZCTEOSA-N 404.272 1.360 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNC(=O)C(C)C 1690243055 GTFNSEYGCLHUFH-WMZOPIPTSA-N 415.542 1.868 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1690496661 UWFVVZIQJNWZSE-YVSFHVDLSA-N 405.499 1.903 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1cnn(C)c1 1690673384 UXESRHICHRGGCU-SFHVURJKSA-N 406.494 1.641 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1690720514 LBMRNPRMGHAXRE-KRWDZBQOSA-N 412.475 1.146 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ncccn3)CC2)nnc1C(C)(C)C 1690731273 GLDVBTBBDQLTEH-UHFFFAOYSA-N 419.555 1.293 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1690819730 MYAIASLUWJAZND-HXUWFJFHSA-N 424.505 1.681 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1692592187 VGWBJQICWNUZBM-FOIQADDNSA-N 414.514 1.643 30 10 HDEE CCn1cccc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)c1=O 1695798495 KBODUIBMNVYNRG-QRWLVFNGSA-N 418.473 1.674 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1697046274 ZWUOKQXIKLJTRV-ZWKOTPCHSA-N 411.462 1.622 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1698495038 CXZNYLFQXYKIMP-QGZVFWFLSA-N 402.499 1.161 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1nnc2n1CCC2 1705588545 AZGILWBFYZNEFW-UHFFFAOYSA-N 408.510 1.245 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@H]1C 1705680458 BGZZSLBUEJMOLK-CHWSQXEVSA-N 416.320 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 1705707367 JXORVUMCRDYWST-NEPXVJNWSA-N 419.526 1.310 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705805192 BGFKJUNAIPPPER-HOTGVXAUSA-N 414.514 1.670 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705905107 KAFYJLIJLBFYNB-GOSISDBHSA-N 410.522 1.698 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NC2CCCCC2)C1 1705922325 KRRBIVATCPGCEF-IRXDYDNUSA-N 416.526 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](OCC)C1 1705937457 ULIOMBVVHTZQAL-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1705940607 KFMCQMLYBUXJCH-MRXNPFEDSA-N 415.585 1.137 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1705989949 HCVOYYHPFYGYKZ-UHFFFAOYSA-N 420.477 1.810 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1712453173 DNUQDMRTUXGZEV-OAQYLSRUSA-N 414.510 1.387 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nccnc1C 1712530672 LSYIIXOVCJBCLF-KXBFYZLASA-N 403.462 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1722282103 WNOUSDTVTFJVII-QVKFZJNVSA-N 415.494 1.849 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1F 1722372662 BWHUCKCEDDCBHB-ZDUSSCGKSA-N 407.446 1.288 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1722374421 VGBZKCAKYHHXHN-JOCHJYFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1c(C)noc1C 1722426575 DTCLZHMZOKRUNU-OAHLLOKOSA-N 414.510 1.895 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCC[C@@H]2C)CC1 1722429488 MQMLCHHNRJDTTN-SFHVURJKSA-N 415.586 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC2)CC1 1722449701 XYEWQQJCDCANHB-KRWDZBQOSA-N 408.506 1.266 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1noc(CC)n1 1722467027 KPXVKMJZFPVROE-SCLBCKFNSA-N 421.527 1.069 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCC(=O)NCCC 1722471651 MJBJCZPFOANQAN-OAQYLSRUSA-N 412.494 1.914 30 10 HDEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(OCC(N)=O)CC1 1722523989 FPJXFVJYFCHKKM-SFHVURJKSA-N 413.478 1.837 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 1722700162 YNIGWPQAJHACTP-UHFFFAOYSA-N 417.535 1.585 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1722743035 OBJFQYVXJQUQLM-SFHVURJKSA-N 417.583 1.580 30 10 HDEE C[C@@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C)N(C)C 1723864027 GIFRVAXBVPQJBJ-HOTGVXAUSA-N 411.558 1.902 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1728197807 AQYWEULFDUFWGW-NRFANRHFSA-N 407.478 1.202 30 10 HDEE CNC(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1729721335 BFXURGZDKWMRHD-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1729929528 IDEKCTLARWXZIK-OAHLLOKOSA-N 401.492 1.477 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCCN2CCCO)CCO1 1731188374 FOLDKBGCERBJOJ-DLBZAZTESA-N 414.485 1.660 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1740553355 RCNNSYZEGGWUIF-TZMCWYRMSA-N 408.553 1.431 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@@H]2C1 1740719204 BOCKFVNSFBOWLZ-QGZVFWFLSA-N 402.568 1.441 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1740773768 DBMFWNNRBMFWGW-QGZVFWFLSA-N 417.535 1.730 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1740787331 GVUGKBYUDHXGNO-HUUCEWRRSA-N 415.560 1.485 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740846201 QJWGMWGMRHFCAE-HNNXBMFYSA-N 411.510 1.033 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCCC2=O)C1 1740969774 AZLCORDPLRRAEV-QGZVFWFLSA-N 418.542 1.600 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)no1 1744475199 RXWIJKFAXKBHJE-IYJAJMOOSA-N 419.461 1.632 30 10 HDEE CCOC[C@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747268498 RVRYXNOWSGBZES-MJWGMMHASA-N 402.499 1.620 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)c1nccs1 1748731935 OTWFDWSROPNYRL-KGLIPLIRSA-N 410.569 1.998 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1748756199 XFLIYXUNIBXQBM-INIZCTEOSA-N 407.565 1.862 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCN(C)C1 1748888968 COWYSOFGLYUUPL-QHCPKHFHSA-N 423.517 1.492 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1748906142 PUKOQWLWMQFSGS-IAGOWNOFSA-N 410.588 1.468 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)Nc1ccccc1 1748960373 JEBJPXVSAYEYIF-QGZVFWFLSA-N 410.478 1.344 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCCC2)CC1 1748979767 MBLIDDSPDQBOFA-UHFFFAOYSA-N 410.478 1.914 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2[C@H]2C[C@@H]2C)CC1 1749003430 JNJQUWCZLDDQDM-ZJBJCVSYSA-N 415.538 1.865 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC)[C@@H](C)C1 1749049965 UFIURQZXJPXHBI-BZSNNMDCSA-N 407.584 1.899 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749131032 PPCVVWJORDZOGI-NQYYFHDYSA-N 403.527 1.820 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749141314 YOUBDSMJLHIZCX-FOIQADDNSA-N 414.510 1.452 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C)C(=O)C1 1749219776 RYVALRDZHMAUNZ-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1749499342 VBTJWVSFEMFIOF-OAHLLOKOSA-N 412.485 1.379 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccc2F)CC1 1749663446 FRQGVNYAMDAXKV-UHFFFAOYSA-N 424.484 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC 1749736953 USKQSJWNWGPMFD-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1750068697 FAEUEOKEMINTSP-CQSZACIVSA-N 423.477 1.731 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CC=CCO1 1751206959 KDAORALJSPRPSG-ZBFHGGJFSA-N 408.528 1.363 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1760170532 GWUWEFBUGWJBBZ-UHFFFAOYSA-N 419.489 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ncnn1-c1ccccc1 1760216826 DAUWDBFYCSBXPE-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCC)c1 1760248263 GTIPIKULRFQAOY-GOSISDBHSA-N 424.505 1.113 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1760294804 GXSREFOXCNTFSM-GQIGUUNPSA-N 421.567 1.477 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760527365 UJIWQQBHSDGASJ-SFHVURJKSA-N 408.506 1.177 30 10 HDEE Cc1nnc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1Cc1ccc(C#N)o1 1762591186 RVEKBWIRKXILDB-GOSISDBHSA-N 418.523 1.930 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CCO1 1770749108 UMCJGMPFDDGDDQ-IRXDYDNUSA-N 405.524 1.799 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1771351835 KBLZBUCUWGRTDR-LJQANCHMSA-N 420.514 1.921 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1771529426 NVDNILANUABULU-SJKOYZFVSA-N 424.889 1.870 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1850013309 UWUNSWMCWSKNRY-GOSISDBHSA-N 409.939 1.709 30 10 HDEE CC(C)[C@H](C(=O)Nc1ncc(C#N)cc1Br)N1CCS(=O)(=O)CC1 1851714637 FKOHOXGYYPTZJD-CYBMUJFWSA-N 415.313 1.409 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ccnc3[nH]cnc23)cc1 1852881505 ZDDNTKZHYQTFIA-KRWDZBQOSA-N 407.430 1.766 30 10 HDEE C=CCN[C@H](C)[C@H]1CCN(C(=O)c2cn(CCN3C(=O)c4ccccc4C3=O)nn2)C1 1853572324 JWWXHFOQNAFOOP-CVEARBPZSA-N 422.489 1.201 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(C(F)(F)F)nc2)C1=O 1853828436 MDJCTHABAPRPBT-GJZGRUSLSA-N 424.423 1.950 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1854197744 YVFVIKSRSOESCB-LJQANCHMSA-N 406.442 1.856 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854643405 LRSGEZSYJGXIHH-NSHDSACASA-N 403.382 1.649 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C(=O)[C@H]1C 1854751051 FZPCJEXFTCVPQH-CRAIPNDOSA-N 423.510 1.614 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(c3ncc(F)cn3)C2)C1 1855375301 LLURVINXIBKCNA-QAPCUYQASA-N 401.486 1.858 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc3ccccn3n2)CCN1CCOc1ccc(C#N)cc1 1855924700 WRDMIUYHHXBNAF-MRXNPFEDSA-N 403.442 1.958 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3cc(Cl)ccn3)C2)C1 1856411004 VSPLUZIPNVPKQV-CYBMUJFWSA-N 411.849 1.754 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1=O 1856414340 BSXRLCCLHZFIAK-CRAIPNDOSA-N 400.454 1.932 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4cccnc4)C3=O)CC2)n1 1856972684 XSQMBAWWBWOXRC-LJQANCHMSA-N 405.458 1.880 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)C4CCOCC4)C3=O)CC2)n1 1857006360 NPIAHJQIKYETGO-IBGZPJMESA-N 412.490 1.598 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)cc1 1857144156 HVQZGKNQOZGCCT-QGZVFWFLSA-N 400.479 1.123 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)c3csc(-n4cccc4)n3)C(=O)C2)C1 1857152847 XKSDNPVPPSNCEQ-MRXNPFEDSA-N 412.519 1.596 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)C1 1857374705 CDKJTRMFLFAAPI-SFHVURJKSA-N 412.490 1.986 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)CCc3ccon3)C2)C1 1857461841 AISPOZAUXCKXQJ-OAHLLOKOSA-N 409.446 1.402 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O 1866339821 BGMFUFNVQPYJOJ-VIFPVBQESA-N 408.208 1.260 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1C[C@H](C)O[C@@H](C)C1 1870541406 DOUZAHVGXGEKPS-LNLFQRSKSA-N 419.522 1.318 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1873710703 QPSSKFHSYLXZHJ-CYBMUJFWSA-N 406.508 1.024 30 10 HDEE CC(C)([C@@H](NC(=O)OCc1ccccc1)C(=O)O)[S@](=O)CC12CC(C#N)(CO1)C2 1882562532 JGEHNEAYFRYYOX-OJXRGPHPSA-N 420.487 1.966 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c([N+](=O)[O-])c1 1891373742 FXOYPACHIICRTC-CQSZACIVSA-N 404.404 1.712 30 10 HDEE C#C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1 1891726883 DIEKGKOKTNYWEQ-HKUYNNGSSA-N 403.504 1.812 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)COC1 1963727674 NWGLRXHHUYCXJR-GOSISDBHSA-N 414.506 1.764 30 10 HDEE Cn1cc(C#N)c(=NC(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)[nH]1 2010545357 UOWPFQQNZWQTTA-QFIPXVFZSA-N 424.505 1.822 30 10 HDEE Cc1cc(C#N)c[nH]c1=NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2112282463 AIXUUMALHJIAHW-UHFFFAOYSA-N 412.471 1.892 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)C1 2118161409 BPHIMGPMADAQHZ-ROUUACIJSA-N 422.507 1.094 30 10 HDEE C=CCN(CC[C@@H](CS(=O)(=O)N1CCOCC1)NCC)C(=O)OC(C)(C)C 2155520996 JMSRBYCNSSCUQN-INIZCTEOSA-N 405.561 1.440 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782253 OOXGOEAWPQYRTR-ZBSNKRKSSA-N 421.541 1.402 30 10 HDEE CN(C1(CNC(=O)OC(C)(C)C)CCOCC1)S(=O)(=O)N1CC[C@@H](C#N)C1 2174786345 IZTKCAGPOAJHAV-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NCC1(C(=O)O)CC(F)(F)C1)C(F)(F)F 2180569981 NXZJIGFMIODTQY-MRVPVSSYSA-N 400.222 1.602 30 10 HDEE Cn1nc(Br)c(C(=O)NCc2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1 2235272378 CKDNFZQZBTZGDR-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE CCCN[C@@H](C#CCOC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2235922059 DERGTHMFWUTAGU-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243390582 XUBHSRMXQZEKIW-UHFFFAOYSA-N 418.246 1.798 30 10 HDEE CC[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243403268 UZQWKIIBKHQSBH-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccccc1B1OC(C)(C)C(C)(C)O1 2243676112 FSDMMTSJKXBECK-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247830035 WXPNFBCZGCPTCM-JOCQHMNTSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)[C@H](O)C1 2247926744 WOVZFCQNMYOXFK-QWHCGFSZSA-N 422.287 1.289 30 10 HDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2255647025 SBMLKYRHPOTIAQ-UHFFFAOYSA-N 424.310 1.506 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CC(C#N)C2)C[C@@H]1C(F)(F)F 2279242744 MLTXMFZCMMNHDM-VXGBXAGGSA-N 412.434 1.607 30 10 HDEE CO[C@H]1C[C@H](CN)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281946085 OHWNFJNJDAVREF-MNOVXSKESA-N 400.737 1.889 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281998151 LCKHLGHGCJXDPM-RPHGYIDUSA-N 400.737 1.873 30 10 HDEE CC[C@H](CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)N(C)C 2282308495 RVOZXRLBHMVOBM-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE COC[C@@H](O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315958 VSAJOCHZAYMHKB-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE CON(C1CCOCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282352299 MRYVSWHYWCBXIR-UHFFFAOYSA-N 403.331 1.778 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H](CCF)C2)OC1(C)C 2282415153 CRJBEUFSPXBDML-LBPRGKRZSA-N 404.338 1.954 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CO1 2282492651 PVRXAENQXKKPPR-RYUDHWBXSA-N 402.347 1.381 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](N)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282501694 ALMOTCMMTNWOHI-ZDUSSCGKSA-N 402.391 1.926 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(F)(F)C[C@@H]2CO)OC1(C)C 2282852562 QMSXCXCTSSZNOH-SNVBAGLBSA-N 409.285 1.438 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@H](CN)C2)OC1(C)C 2282856239 PJWOHOYBVAHULB-STQMWFEESA-N 400.375 1.843 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)[C@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284410108 RERSJEJDKALKKB-WDEREUQCSA-N 403.331 1.743 30 10 HDEE CSCC[C@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284425039 QQVGZZZRWUEUEB-JTQLQIEISA-N 400.331 1.687 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(CC(N)=O)Cc2ccccc2)n1C 2300269473 JJYHUBNFYLLOHY-UHFFFAOYSA-N 412.299 1.155 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339662777 MKLMYVVWIMSCNA-VXGBXAGGSA-N 402.542 1.128 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365170627 UFUWGEQJFRWOPR-UKRRQHHQSA-N 401.525 1.779 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2365198679 HZWBJVSDLLVFRC-JYJNAYRXSA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367787318 KPVVKMXJZYNOCX-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)CN2CCOCC2)OC1(C)C 2369896397 BAKZPVHIEFNLMC-UHFFFAOYSA-N 400.737 1.649 30 10 HDEE C=CC1(N[C@](C)(C(=O)O)C2CCS(=O)(=O)CC2)CN(C(=O)OC(C)(C)C)C1 2378877044 NXERXKYEKBWSSM-KRWDZBQOSA-N 402.513 1.420 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)s3)cc2C1=O 14941803 IKPNYUZXUQDLNG-UHFFFAOYSA-N 405.457 1.108 30 10 HDEE CS(=O)(=O)CC[C@H](C(=O)Nc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 15580033 ILYRDBVPAOKTSM-QGZVFWFLSA-N 411.439 1.596 30 10 HDEE Nn1c(N/N=C/c2ccccc2[N+](=O)[O-])nnc1SCC(=O)Nc1ccccn1 59884654 SQLPLCLEKVXQNW-DJKKODMXSA-N 413.423 1.472 30 10 HDEE CC(=O)Nc1ccc(C#CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)cc1 96350062 NWJQWHGINTVUIS-QGZVFWFLSA-N 422.510 1.895 30 10 HDEE C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@]1(O)[C@@H](O)C[C@@H]2C1=CC(=O)OC1 118937635 QJKATDKDXQSALV-NLYNAVTMSA-N 404.503 1.754 30 10 HDEE N/C(=N/O)[C@H]1CN(C(=O)c2cc(Br)cc(Br)c2)CCO1 236339545 CVVJYONRKSFCLD-SNVBAGLBSA-N 407.062 1.799 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)ccc1C(F)(F)F 410148590 FBFQRFFQSBPJKV-HNNXBMFYSA-N 417.409 1.635 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2)CC1 431753714 WEDFFOORTQINRT-KRWDZBQOSA-N 405.930 1.548 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2cccc(C)n2)Cc2cccc(C)n2)C1=O 434031215 KSUBSASLPILXTO-UHFFFAOYSA-N 421.457 1.599 30 10 HDEE Cc1ccn2c(NC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)nnc2c1 446647324 GSISXSPGVIAIDN-OAHLLOKOSA-N 403.402 1.753 30 10 HDEE COC[C@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 464506503 FHAPWEPAXQXPFZ-GUYCJALGSA-N 412.368 1.847 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCN(Cc2ccccc2)CC1)S(=O)(=O)C1CCOCC1 479274158 IOOKVIJKCJJKEG-KRWDZBQOSA-N 419.547 1.643 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(CC(=O)OC)CC2)cc1 483839499 JSESSEGDXDZULW-UHFFFAOYSA-N 400.479 1.823 30 10 HDEE C[C@@](O)(CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CCCCC1 484382873 BBNXKAUXWRPYPZ-OAQYLSRUSA-N 410.478 1.584 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2ccccc2OCC(=O)N2CCCC2)CC1 506278272 CBKGUVJKECTUIK-UHFFFAOYSA-N 400.523 1.108 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508993560 DLKANBPGWREMLE-MRXNPFEDSA-N 407.496 1.355 30 10 HDEE Cn1nc(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c2ccccc2c1=O 510140534 RFQLIONPLSJERZ-SFHVURJKSA-N 401.470 1.713 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCN(C2CC2)C1 517647854 RAOUZEPYOPFDCD-LJQANCHMSA-N 416.547 1.654 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)cc2)cc1 537313708 CRRGJJWROMFUNG-MRXNPFEDSA-N 416.484 1.359 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)cc1 537580369 KBAHMPORLIHJJI-UHFFFAOYSA-N 400.416 1.361 30 10 HDEE N#CC1(CS(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCCC1 546063790 OQWBZPUPZNTMLI-UHFFFAOYSA-N 405.524 1.124 30 10 HDEE C=CCn1c(SCC(=O)N2CC[C@](O)(C(N)=O)C2)nnc1-c1ccc(Cl)cc1 552492414 HAQFIDIIQIYDAU-GOSISDBHSA-N 421.910 1.325 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 555256299 HWPAEDGMJRUHOO-HUUCEWRRSA-N 412.560 1.205 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2Cc2ccccc2)CCO1 558924612 IPQBJADMXCVSHS-IBGZPJMESA-N 413.445 1.698 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN([C@H](C(=O)O)c3ccccc3)CC2)cc1C#N 559204562 HVPHORMJEUSZLZ-SFHVURJKSA-N 400.460 1.394 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Br)cs2)CC1 567621290 HIIHCSCOURDHCU-UHFFFAOYSA-N 401.330 1.640 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 579767886 ZWBWKKBTNCVTAN-MRXNPFEDSA-N 406.426 1.865 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NCCCC)nc1C 586302025 HDWUVASEPARDJH-AREMUKBSSA-N 401.510 1.398 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2N2C[C@@H](C)O[C@H](C)C2)C1=O 623224382 HVOZZTPJDFYEOZ-ZIAGYGMSSA-N 400.435 1.216 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732648804 HZSSXPFFPQAIIJ-SFHVURJKSA-N 402.520 1.674 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C)cc1 734921327 NMLORSMPSYSNMD-PXNSSMCTSA-N 412.446 1.414 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSc2cccc[n+]2[O-])cc1 749622068 XOCUHDJKMBGGOY-OAHLLOKOSA-N 400.485 1.824 30 10 HDEE N#CCCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 754391386 IQFYYOJGJVILDF-IUXPMGMMSA-N 415.519 1.261 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccccc3OC)C2)cc1 757011170 RRGBWNVGPBEYEA-KRWDZBQOSA-N 413.499 1.615 30 10 HDEE N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 759717324 HONOVZNLOCEKJP-QLFBSQMISA-N 405.476 1.312 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](C(N)=O)c3ccccc32)ccc1F 760099145 CHIOUBSVXDRWPK-OAHLLOKOSA-N 417.462 1.909 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)c1 763326567 UACVMZPDLQCDRM-UHFFFAOYSA-N 418.496 1.257 30 10 HDEE CC[C@@H]1CN(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)CCN1CC(F)F 765714644 GFLWAFJYGRBNFW-UZLBHIALSA-N 405.449 1.944 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(COc2ccccc2F)on1 768077410 CZYHAFJLMOLXMO-HTXNQAPBSA-N 400.366 1.649 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cn1 772310992 IYIQXUDELBVRQF-AWEZNQCLSA-N 410.499 1.116 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774167369 XUQLZUMWARVPAB-GOSISDBHSA-N 403.504 1.255 30 10 HDEE CN(C)C1CCN(C(=O)CC2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)CC1 780915357 SGGWPFQWCWTHJT-QFIPXVFZSA-N 412.534 1.773 30 10 HDEE C=CCN1C(=O)N[C@@H](c2c(Br)cnn2C)C(C(=O)OCCOC)=C1C 783684133 RJFZNENVQBFZNU-CYBMUJFWSA-N 413.272 1.899 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 800788319 ZOBIKEVDGXHTGY-BHIYHBOVSA-N 402.543 1.347 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 803648729 ZKOWTASTOKBBIA-CQSZACIVSA-N 406.508 1.023 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)NC[C@H]2CCCCN2S(C)(=O)=O)c1 805114098 QCLTUOCTNCLANJ-SJORKVTESA-N 408.524 1.981 30 10 HDEE COC(=O)[C@@H](OC(=O)C(=O)N1CCN(c2ccccc2)CC1)c1ccc(C#N)cc1 812692646 UMDVOIOCGYQBRV-IBGZPJMESA-N 407.426 1.664 30 10 HDEE C#CCN(Cc1c(Br)cccc1C(=O)OC)[C@H]1CCS(=O)(=O)C1 814627690 QPHSYRFAPJCOIB-LBPRGKRZSA-N 400.294 1.858 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CCO[C@@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C 883979598 QIQHGHZCOWMFDM-NWDGAFQWSA-N 410.389 1.789 30 10 HDEE CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1cc(C#N)ccn1 1128079558 LJEXRPZAYNCBJF-UHFFFAOYSA-N 409.471 1.777 30 10 HDEE N#Cc1cc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cnc1C(F)(F)F 1130019378 QRQOHIMBMNCJOV-LBPRGKRZSA-N 411.361 1.937 30 10 HDEE CO[C@@]1(CNC(=O)c2ccc(COc3ccccc3C#N)o2)CCS(=O)(=O)C1 1133985065 YONKJPVLESBWIS-LJQANCHMSA-N 404.444 1.664 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1135946656 BCANLHXLXICIPV-UHFFFAOYSA-N 420.441 1.755 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c(N)c1 1135983774 ZWMVSMLOQHNNJU-LJQANCHMSA-N 416.478 1.834 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccn(-c2ccccc2)n1)c1cc[nH]n1 1136542023 URENJEZGRHYZGI-UHFFFAOYSA-N 410.434 1.238 30 10 HDEE C=CCCCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1141242084 QSYFMTFNMNCFNP-UHFFFAOYSA-N 408.524 1.107 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1142410154 FWLJNSWLCNKLLO-SFHVURJKSA-N 411.437 1.066 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)N2Cc3ccccc3C2=O)CC1 1144025878 GBZKVLRIEWUCLQ-OAQYLSRUSA-N 424.545 1.341 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C#N)(C(=O)OC)CC1 1146387509 CSDYBIVUIRKJAS-CYBMUJFWSA-N 411.455 1.138 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)cc2n1 1156690773 SFNOVTREYWKPTP-ZDUSSCGKSA-N 416.507 1.878 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1167023657 CRWNVXKRJFFVEP-AVKJRPAMSA-N 422.453 1.523 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2nc(C(C)(C)C)ncc2C1)c1cc[nH]n1 1167630262 KDNSTSCSRMEEIT-UHFFFAOYSA-N 414.466 1.366 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 1170364278 BMVXCLAFDXLEEC-SANMLTNESA-N 412.533 1.108 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC(CCO)(CCO)CC2)CC1 1175322756 FNABYNBOYYXAFA-GOSISDBHSA-N 420.579 1.304 30 10 HDEE C#CCN1CCN(C(=O)CN(CCN2CCOCC2)c2ccccc2Cl)CC1 1175372652 XDBXUHMKSYAKKM-UHFFFAOYSA-N 404.942 1.256 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180099609 HBULRTDKVZXXDF-GDBMZVCRSA-N 407.430 1.546 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(Br)s1)NCC#C[C@@H]1CCCCO1 1180363315 STGCYWCQHVQKOD-NSHDSACASA-N 421.338 1.478 30 10 HDEE C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1192254366 FNCGJNQKJDWVFM-VIFPVBQESA-N 407.311 1.918 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nnc2n1CCNC2=O 1197710095 DRNJUDIEHGGNKQ-ZDUSSCGKSA-N 413.507 1.486 30 10 HDEE C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 1213936754 BWJNFKBFWBIMLP-DJJJIMSYSA-N 407.492 1.869 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)n1 1230699166 YUBGHWBAQNLZQT-INIZCTEOSA-N 407.515 1.835 30 10 HDEE C[C@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1(S(C)(=O)=O)CC1 1272177658 XDDWYUXWVRNNGL-JTQLQIEISA-N 401.282 1.781 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](NC(C)=O)C1 1286336749 WRMWKRVZYATUPW-OTWHNJEPSA-N 403.527 1.911 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1286346770 BSBKOVBOVZMGPM-UHFFFAOYSA-N 418.505 1.518 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCO[C@H]1CCOC1 1286365686 GZVIITRBQDJSRZ-KRWDZBQOSA-N 418.519 1.614 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1286458835 DMBRYCPHEGZUQU-GOSISDBHSA-N 420.521 1.829 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1286495725 CZMQANZJJSJHDW-OLZOCXBDSA-N 403.599 1.196 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1286600762 QDQXVWACIFZKTF-AWEZNQCLSA-N 417.601 1.813 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286638549 FJDMUYYANORPRN-PXNSSMCTSA-N 424.567 1.911 30 10 HDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1286710647 BIAGJUYBNXDXJH-QAPCUYQASA-N 413.478 1.695 30 10 HDEE C=CCN(C(=O)c1n[nH]c(C)c1I)[C@H]1CCS(=O)(=O)C1 1291936278 DALCWAOYYUVFCG-VIFPVBQESA-N 409.249 1.138 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1C[C@H]1C1CCC1 1292127894 VIICQFSAJSTJTJ-ILOCAZANSA-N 402.539 1.935 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCOC1 1299800548 CNSDCYILPHITBS-LJQANCHMSA-N 419.507 1.103 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC 1300276687 PJQLXTBDHQYVAQ-GFCCVEGCSA-N 413.450 1.554 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1300319709 CJXYOVWNQOVQGD-QGZVFWFLSA-N 423.521 1.138 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCn2ccnc2C1 1300649952 QEYWZGHZAFLETB-KRWDZBQOSA-N 411.510 1.059 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC2(C)CCC2)CC1 1300729266 SYKYFZKNPFGAMJ-UHFFFAOYSA-N 412.538 1.557 30 10 HDEE C=CCN(CCOC)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1301416831 JVDJKMGRELNYCP-WUKNDPDISA-N 402.499 1.741 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1302193972 IEYJXLFHMPXQEC-PBHICJAKSA-N 414.466 1.231 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1303932902 BMXSNXDNNHTWOO-QRWLVFNGSA-N 413.457 1.972 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CC1(S(C)(=O)=O)CC1 1304865789 GJTWAAGJVULADC-KRWDZBQOSA-N 401.492 1.613 30 10 HDEE CCc1nnc(N2CCC(NC(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306144640 VCGAEXWGOBEIAP-HNENSFHCSA-N 401.515 1.334 30 10 HDEE COc1cc(C)c([C@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1308100423 OUCJOBZOQLJTGU-AVYPCKFXSA-N 421.519 1.060 30 10 HDEE C#CCOc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 1312000869 DDSITKMKDNEGPC-UHFFFAOYSA-N 415.462 1.762 30 10 HDEE CC(C)(CCC#N)CNC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1312815752 MXVDWFKOACXWGQ-AWEZNQCLSA-N 407.515 1.836 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1315978178 CDXBJFLEJAVDQO-GHTZIAJQSA-N 415.494 1.682 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOCC(F)F)cc1 1316530226 HKFVKSGGBOBBNE-UHFFFAOYSA-N 404.421 1.815 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1358927433 YKHUTLVICUNOQV-INIZCTEOSA-N 415.523 1.153 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1358967883 VAOGFYOUPIJHJG-QGZVFWFLSA-N 420.539 1.037 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1cccs1 1359027111 WGUCVXYICNJQJD-FQEVSTJZSA-N 417.535 1.456 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CC1 1359107877 XJCCWSPUMFDQGC-CANCMXDXSA-N 403.574 1.202 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359216084 OSMOURFZGLLPNX-ROUUACIJSA-N 404.559 1.785 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1359227629 GUOBRZCIMAUYMZ-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)nc1 1359243685 ALOUCYQNPGJHRT-UHFFFAOYSA-N 411.491 1.434 30 10 HDEE C=CCN(c1nnc(-c2cnccn2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1359249772 PBQLIWBZGRJTTA-UHFFFAOYSA-N 405.462 1.802 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)CC1 1359295790 OAXPNRWHMOSTKL-UHFFFAOYSA-N 423.304 1.880 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359302493 JHRRFIHTFLPCHF-GOSISDBHSA-N 420.521 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)CC1CCOCC1 1359333712 HOHVDDGROITLQQ-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)n1 1361249258 HCHGRYFTLZOGDD-UHFFFAOYSA-N 416.507 1.944 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C 1437438173 AMYAWWWNMBRFQN-UHFFFAOYSA-N 413.478 1.181 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H](O)C3CCOCC3)C2)C1 1445710042 NTASAKZWPAHCMC-CXIVCQEWSA-N 407.511 1.677 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)c1 1446737993 YVZCYJACQJGAQQ-QGZVFWFLSA-N 419.409 1.575 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@@H]2C(C)C)cc1 1452557189 IULAVVAXQVHBKF-SFHVURJKSA-N 420.531 1.848 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3nnc(O)n3C3CC3)CC2=O)cc1Cl 1452566250 QGZHKCNTKBLDDU-NSHDSACASA-N 400.826 1.513 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1454683579 ZQQGBZAIQRJGBE-QFIPXVFZSA-N 408.458 1.913 30 10 HDEE C=CCn1cc(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)nn1 1456896795 OXSDHWZWFWYEII-UHFFFAOYSA-N 409.537 1.673 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCCCCNC(=O)CC2)cc1 1462076979 ITZMNZJQNZIKAL-UHFFFAOYSA-N 406.508 1.401 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(=O)OC)C[C@H]2CCCO2)c1 1465205434 ZDSPYNKOGMIUEG-QGZVFWFLSA-N 407.488 1.668 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn2c1N[C@H](C)C[C@@H]2C(F)F 1466064252 JBFHRZBLNMWCEX-TYNCELHUSA-N 416.436 1.906 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1468557701 IQGOYWNFKSOTBP-OAHLLOKOSA-N 418.427 1.785 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1cccc(F)c1 1470149076 ZPVQATBMTFSJDU-KUHUBIRLSA-N 417.462 1.964 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 1470391426 FMGDGBZIKPVVST-DGCLKSJQSA-N 405.398 1.405 30 10 HDEE COc1ccc(CNC(=O)CCN2CCN(c3ccc(C#N)cn3)CC2)c(OC)c1 1473118271 ARNHWPYIXOBSDT-UHFFFAOYSA-N 409.490 1.799 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCOCC1 1473638119 PKWBBQTXKXTCGI-ZWKOTPCHSA-N 406.552 1.488 30 10 HDEE COC(=O)C[C@]1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CCOC1 1475177659 DXENCDREVZGNQO-CQSZACIVSA-N 403.254 1.321 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2sc3ccc(C#N)cc3c2C)CC1 1475406061 BTJIOPIUQNHMON-UHFFFAOYSA-N 416.528 1.137 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2sc(C(=O)OC)cc2Br)cn1 1475476655 AWEHBXPBQFYJHL-UHFFFAOYSA-N 418.294 1.605 30 10 HDEE CS(=O)(=O)N1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1476056398 AXACDNJVAYZNCH-HNNXBMFYSA-N 401.448 1.901 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1503570830 YTAXJMOUPAQTEB-ICFOKQHNSA-N 420.424 1.296 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1507611305 KOJJWLHFPBDCGP-UHFFFAOYSA-N 412.519 1.891 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507623796 XGNKNBINQFKQCF-JFBVMJNESA-N 424.567 1.348 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507627319 DHHPRIPZDBYKFW-IRXDYDNUSA-N 406.483 1.556 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1cccs1 1507656961 MBLPNOBYQUBGGY-UHFFFAOYSA-N 421.530 1.704 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C(C)C 1507709555 VRBFOYIELGSXSV-NRFANRHFSA-N 424.509 1.414 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C(N)=O)CCCC2)CC1 1507720523 IAUQDYNOMWPJGM-UHFFFAOYSA-N 422.533 1.755 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507848267 IUDAVPNOFWTTOG-DYESRHJHSA-N 422.526 1.911 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCC(O)CC2)C1 1508127567 LWOFBHKRQASOBM-RBUKOAKNSA-N 405.543 1.758 30 10 HDEE CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1509702788 BTLGZILCYKOVBR-FQEVSTJZSA-N 401.515 1.559 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1519396362 FLWNSMBHVYXMBH-ZWKOTPCHSA-N 410.478 1.195 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC1CC1 1519436997 SRWQRGWXOSSDDW-DJPFJPOOSA-N 416.526 1.658 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)COc1ccc(C#N)c(Br)c1 1519793454 FPHIULYFWFBVFA-GFCCVEGCSA-N 416.297 1.240 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cn2)CCO1 1521128313 ATTQXBHNLBOEPW-AWEZNQCLSA-N 412.841 1.591 30 10 HDEE C#C[C@@H](NC(=O)CN1C(=O)C(=O)N(CC=C)C1=O)c1ccc(Br)cc1 1528497467 MHDYIJMAPSOJOJ-CYBMUJFWSA-N 404.220 1.216 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1529533749 IESOFFFPAZPHDG-RDJZCZTQSA-N 403.504 1.555 30 10 HDEE C=CCn1cc(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)nn1 1532111443 IVYXBPZHINSCDA-UHFFFAOYSA-N 404.279 1.479 30 10 HDEE COc1ccc(C(=O)N[C@H](C#N)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 1536416453 UYZMPOCHVGTLLJ-MRXNPFEDSA-N 407.492 1.528 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccnn3[C@@H]3CCCOC3)C2=O)cc1 1537368024 ANIKRZBIQULERH-IAGOWNOFSA-N 422.445 1.950 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1c(F)cccc1F)[C@H]1CCS(=O)(=O)C1 1539220707 UXPRPVWVVRGPHI-AWEZNQCLSA-N 408.474 1.988 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1539265007 BXSMDBQIXADOSM-SFHVURJKSA-N 412.515 1.504 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1539343103 DUUNGLXFOWXRCN-MGPUTAFESA-N 417.535 1.182 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c[nH]nc2c1 1539392929 ZLEXBGCTLBADJL-UHFFFAOYSA-N 421.505 1.719 30 10 HDEE COc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ccnc1F 1540728260 AMIMWBCRMCEPEA-UHFFFAOYSA-N 404.423 1.248 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)C1 1540891291 RTMWBCOHVHZPNZ-ZWKOTPCHSA-N 402.543 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](OC)C1 1540907288 RDBVJIZIDFZTTP-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)[C@@]3(C#N)CC34CCCC4)ncnc1-2 1543057279 BZZKWBMFZFQZQC-KRWDZBQOSA-N 418.299 1.501 30 10 HDEE CCn1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1543122584 WJLLGHMDHBEGEX-UHFFFAOYSA-N 407.883 1.575 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(C#N)o1 1555737079 KXHXTDJGUUEUSU-GLJUWKHASA-N 414.466 1.182 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1558598608 OPMUENDODBYHPW-UHFFFAOYSA-N 418.500 1.012 30 10 HDEE CCOC(=O)C1([C@@H](C)NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CCOCC1 1558620641 DQVBJBTYMJUIEW-CQSZACIVSA-N 411.462 1.804 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1560182703 OECFNIJMPDAYFH-LIRRHRJNSA-N 414.487 1.606 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 1561841522 GBDWIYZLEYYCDL-UHFFFAOYSA-N 404.535 1.196 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)CC1 1561866643 PUOWJHMIZWILSA-UHFFFAOYSA-N 410.448 1.619 30 10 HDEE Cn1nc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C(F)(F)F 1564530475 CXHFYKSRAYXKAH-ZYHUDNBSSA-N 416.404 1.997 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3OCC[C@H]3NC(=O)OC(C)(C)C)CC2)c1C#N 1584061426 FHGILERLGLULKY-CABCVRRESA-N 421.523 1.654 30 10 HDEE Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cn1C 1585231125 HCMQBJGEVZBZBA-UHFFFAOYSA-N 416.507 1.070 30 10 HDEE CC[C@@H](C#N)N(C)C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1586124633 LZHPXZNQEZKIIE-ZDUSSCGKSA-N 412.468 1.765 30 10 HDEE C#CCCCCn1c(-c2ccccc2OC)nnc1N1CCN(CC(=O)N(C)C)CC1 1587746285 OKRVVHOTTGYUBK-UHFFFAOYSA-N 424.549 1.967 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1587879071 NVCWOSRTUGJICA-UHFFFAOYSA-N 400.508 1.385 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(S(=O)(=O)NC)c2C)c1 1587991077 UHGVUPXVIQOJOZ-UHFFFAOYSA-N 420.512 1.952 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CSCCS1 1588245535 IKFJWVPIESPHQY-MRXNPFEDSA-N 403.577 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC)C2)CC1 1588968842 REBIDAQJBDVBPF-IEBWSBKVSA-N 414.554 1.437 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1589059058 ANKSHFBRDCPSDM-ZBFHGGJFSA-N 401.492 1.767 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1589207770 QGVRRWHHMVGIHA-MBOZVWFJSA-N 406.552 1.989 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1593799793 DRVWOIICZMJXHV-MRXNPFEDSA-N 421.933 1.888 30 10 HDEE Cn1nc2c(c1C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)CS(=O)(=O)CC2 1596079248 QYDYLPMXKGJGJO-OAHLLOKOSA-N 412.393 1.796 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCc3ccc(S(N)(=O)=O)cc3)C2)nc1 1596978347 NMTFEROUSJMKRD-KRWDZBQOSA-N 413.503 1.636 30 10 HDEE C=CCn1c(SC[C@]2(C)NC(=O)NC2=O)nnc1[C@@H]1COc2ccccc2O1 1613299584 XDXYREPDIYVTDE-UGSOOPFHSA-N 401.448 1.667 30 10 HDEE CCN1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1615807065 BTEGYJFMPMYJIT-SFHVURJKSA-N 423.521 1.491 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)CCO1 1617941947 QMQDOHVAFIDYPQ-CQSZACIVSA-N 401.282 1.135 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)cc1 1619322026 FGZIZZKVLQVQRV-HXUWFJFHSA-N 424.505 1.856 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1622506130 CGYRPGGDMDPLLX-KRWDZBQOSA-N 410.492 1.825 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C[C@@H](COC)OC 1622563068 FGKFCHGLZCYWFK-MRXNPFEDSA-N 404.529 1.312 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1623844453 YABAVGRWGCOLKX-CQSZACIVSA-N 423.963 1.810 30 10 HDEE O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@@H]1CCN(O)C1=O 1624906915 XUKRCLNVWKZWGT-CQSZACIVSA-N 413.459 1.785 30 10 HDEE COC(=O)[C@H](C)Sc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136996 QBTFQANSOVTKDR-ZJNRKIDTSA-N 408.501 1.351 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3nc(N)sc3C2)s1 1627317665 XRHBBYFMGKDCRZ-JTQLQIEISA-N 412.562 1.467 30 10 HDEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCN(S(C)(=O)=O)C1 1628302714 ZAGAOEYBXJBGMP-INIZCTEOSA-N 413.540 1.129 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1629174440 GOMZQUIDGJGDRF-SFHVURJKSA-N 405.520 1.792 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCN3Cc3ccccc3)C2)c1 1630697847 FANBWHCVGQZWKE-UHFFFAOYSA-N 409.511 1.699 30 10 HDEE COC(=O)c1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1OC 1631947590 YEBPNJAURXGJQG-UHFFFAOYSA-N 417.443 1.844 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1632032229 SZKRIVISJBMOIG-QUCCMNQESA-N 421.563 1.983 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Cl)nc(C(F)(F)F)c2)CC1 1632624792 ZYSFYGCIHYJVJS-UHFFFAOYSA-N 402.804 1.651 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1634790359 VYWQAAKFINOHGM-CYBMUJFWSA-N 406.435 1.749 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)C1CCCC1 1636570470 LWGICBRCQQVVKL-OALUTQOASA-N 419.551 1.279 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2(OCCO)CCCCC2)cc1 1636711211 UYZLIQPLUZZUFG-UHFFFAOYSA-N 409.508 1.320 30 10 HDEE CC[C@H](CNS(C)(=O)=O)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1636941430 RHFVLACRFMMXAV-OAHLLOKOSA-N 410.345 1.352 30 10 HDEE CN1C[C@H](CCNC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 1638474281 IKIOYZSYVMFFJX-CQSZACIVSA-N 412.450 1.506 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1638655738 AXFSRMHXTYVWLZ-CYBMUJFWSA-N 411.480 1.969 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 1640838060 IWPXNEIVDJDUJP-LJQANCHMSA-N 409.529 1.525 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1641041004 QJWKCLLMVDIQJU-LLVKDONJSA-N 405.248 1.420 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN3CCOC[C@]3(CO)C2)CCCN1C(=O)OC(C)(C)C 1645355382 OMTGJONCIWZTHG-RTWAWAEBSA-N 409.527 1.238 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 1647924273 WBTBSPIBRVAOCQ-HZPDHXFCSA-N 410.515 1.722 30 10 HDEE C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648501131 YESUFFOOTBJERM-OHUAYANFSA-N 412.855 1.445 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)c1C 1652129500 ACNDTVAUUGHOJB-UHFFFAOYSA-N 401.492 1.601 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@H]1CCCOC1 1653336760 HOFMUDMZAIDQBW-HIFRSBDPSA-N 403.464 1.412 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1657840069 HNWGHEFNPSYNHW-HLLBOEOZSA-N 411.524 1.933 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1666024215 KELYTWVCRPMNLY-LLVKDONJSA-N 412.309 1.816 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1 1680778440 DLWAXZRRHUYCHU-RTBURBONSA-N 409.490 1.313 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C(=O)NCCC#N)CC[C@H]32)CC1 1682123226 ZZTKGGAPACUIMD-HZPDHXFCSA-N 420.514 1.477 30 10 HDEE N#Cc1ncn(CCNC(=O)N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)n1 1686407064 FFDVRGBLQLIJFZ-GFCCVEGCSA-N 421.383 1.532 30 10 HDEE C#CCN(C(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1686851470 TVVBEBUGNHYEDI-HZPDHXFCSA-N 400.541 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1689826621 RHWZYYDMTJYIKV-QWHCGFSZSA-N 422.486 1.124 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1689942906 HIFCFZYOPDJQHL-FUHWJXTLSA-N 400.527 1.332 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1690047075 LEMUHIYNQBZFBY-MSOLQXFVSA-N 415.563 1.127 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1690313353 QWTAKWNZYFYVEG-HNNXBMFYSA-N 409.512 1.706 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1690372354 KRIWVJJQVGCILZ-KRWDZBQOSA-N 415.519 1.837 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690428267 KRBYGFPQXHUCLH-HNNXBMFYSA-N 419.555 1.855 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690507341 KDJQGAIPXNXOTM-CVEARBPZSA-N 402.499 1.023 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2nccs2)C1 1690726508 CGEUEKRPXQBPHG-HNNXBMFYSA-N 423.564 1.866 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N(C)c1ccccc1 1692542194 FBSPXHUNHDFAAV-WMZOPIPTSA-N 411.510 1.670 30 10 HDEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695504950 APKJXNFFMSPQTM-HNNXBMFYSA-N 423.525 1.086 30 10 HDEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1696645937 PENDGGCRTHKXFT-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCOC[C@H]1OC 1698061231 NBNCOZDHBPVALU-RCCFBDPRSA-N 407.515 1.590 30 10 HDEE C#CCCCn1c(N2CCO[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OCC)CCOC1 1705539347 PEVYJRGFDOWULM-IOMROCGXSA-N 404.511 1.728 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567479 WTGCHXMFCNUIDC-IXDOHACOSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1705585424 DILTYFKOJQWAJJ-QHCPKHFHSA-N 407.518 1.613 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1 1705590076 AYBHFUZBGYTKPI-DENIHFKCSA-N 415.538 1.114 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC1(C)C 1705621868 QPKCBKDFSGPSQM-JKSUJKDBSA-N 411.572 1.801 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOC[C@H]2C)CC1 1705635486 ZVABNSCXKYDCHN-QYZOEREBSA-N 405.543 1.430 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2ccco2)C1 1705663836 DSLOWZSNKOLVCW-QGZVFWFLSA-N 415.519 1.938 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1705686691 HVHFBKXMIDWURA-UHFFFAOYSA-N 423.315 1.487 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@](C)=O)CCC2)C1 1705914345 LWMKLPMKDRBALD-JMGYQRAPSA-N 409.556 1.499 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CC(=O)N(C)C)C1 1705924868 GVSXSSHEEIYIEN-MAUKXSAKSA-N 413.478 1.660 30 10 HDEE Cc1ccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)o1 1707360246 LQKSCIXWLGGQHW-UHFFFAOYSA-N 407.434 1.470 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1710066031 ASFQJFKBXJGZPU-XLIONFOSSA-N 408.522 1.972 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@H]2CCCCS2(=O)=O)CCO1 1712884177 HZCVBGLNIHQFIY-HUUCEWRRSA-N 402.480 1.036 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1722284912 QNTIXXRSMNABMB-NVXWUHKLSA-N 409.494 1.642 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1722353152 XOCQQSQLVVFAJH-OAHLLOKOSA-N 404.515 1.598 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1722405992 TYRJHZWJUIROER-JOCHJYFZSA-N 418.586 1.416 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1722435589 LHNYHITZLSPRBW-IBGZPJMESA-N 424.549 1.430 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCCS(=O)(=O)Cc2ccccc2)CC1 1722439021 LAJIRKLBTKPJNW-UHFFFAOYSA-N 415.563 1.601 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722455718 VAXQKGWRNKAHBQ-QGZVFWFLSA-N 420.560 1.943 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(S(C)(=O)=O)CC1 1722501869 QSDSJQOLQKTYPV-QAPCUYQASA-N 412.556 1.809 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722740541 PYYDDTJLJQFTAB-FOIQADDNSA-N 421.567 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC)[C@H](C)C1 1722749162 FIWJOGOHUAQSMN-OAHLLOKOSA-N 407.540 1.978 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1722858565 RAGOFTSHALNYRD-NRFANRHFSA-N 410.478 1.339 30 10 HDEE C[C@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726485509 HNXUSGRVVPGURL-WMLDXEAASA-N 400.508 1.869 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740600067 IKIJSEKRHRQABX-BBRMVZONSA-N 414.441 1.615 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccco2)CC1 1740708218 HASFKRILRYIJSR-UHFFFAOYSA-N 421.505 1.747 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1740783688 QRVAQZVXABCHDK-QGZVFWFLSA-N 400.527 1.719 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCOC[C@@H]2C)CC1 1740833570 SWWAJIYAUWFKPP-YQQAZPJKSA-N 411.572 1.963 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1740885013 URBMDFFPILVSIW-UHFFFAOYSA-N 414.510 1.536 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1740930984 WRSLZFMBVKYTPN-KRWDZBQOSA-N 402.543 1.643 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCOCC2)CCOC1 1746674781 HXXTVHLMOVZLGS-HXUWFJFHSA-N 405.499 1.212 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCOC 1748104624 AYHLPAIBZWBJEK-QVKFZJNVSA-N 414.510 1.423 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1748120539 ARUJXMDGBZRCKR-HNNXBMFYSA-N 422.493 1.329 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCOCC1 1748638301 MJHZHWIGMYJOHJ-MRXNPFEDSA-N 404.559 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1748685563 AUKXZNIZNMMKIC-KRWDZBQOSA-N 419.551 1.871 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCCC 1748790610 JPVDDKODODVSMM-QGZVFWFLSA-N 417.535 1.872 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811143 CFMYWMRGSKWITO-KRWDZBQOSA-N 418.567 1.630 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2OCC[C@H]2C)CC1 1748978306 KBBUPZPYNCFUMA-KNKQGSTJSA-N 417.554 1.499 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCNS(=O)(=O)CC)CC1 1748983933 CLGHDQVUMFJTDO-UHFFFAOYSA-N 416.551 1.030 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnn(C)c2C)CC1 1748993799 MKQZRAIBDHXFRZ-UHFFFAOYSA-N 410.551 1.479 30 10 HDEE COC[C@@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1749353236 QQPVLXHQKSLHFO-RYUDHWBXSA-N 413.251 1.749 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1749556874 BJCMTIYJEKKTQI-UHFFFAOYSA-N 416.570 1.928 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ncn(C)n2)C1 1749719690 ZLOKBGIIWNRUTC-OAHLLOKOSA-N 413.457 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1749729140 BTXDXRZDSCLPIY-OAHLLOKOSA-N 418.523 1.033 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCO1 1751038632 NLJMQJJWHDFXNW-CRAIPNDOSA-N 401.467 1.925 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(O)CCN(C)C2)c1 1751646605 FISPXCNQYVHNHZ-RTWAWAEBSA-N 414.485 1.674 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760193380 YJFMQLKKKBOHIH-DLBZAZTESA-N 408.524 1.349 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760358461 WCIRCKYVFOUUDF-VQTJNVASSA-N 419.570 1.923 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnccn2)CC1 1760449227 DQCSFTIJNSPGSD-UHFFFAOYSA-N 409.498 1.388 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1760493310 ASYWVTFEGDIJMC-KRWDZBQOSA-N 415.519 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC=CCC1 1760521235 NDNVGKABUFMQPF-UHFFFAOYSA-N 405.462 1.261 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCOC)CC1 1760522522 VOSRWCBURYNZCD-UHFFFAOYSA-N 420.558 1.148 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)C1 1760541505 DALJWDQMUYFNNR-CABCVRRESA-N 404.515 1.315 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(C)C2CC2)C1 1760541709 GPXINBMLJRHYGC-SOLBZPMBSA-N 423.583 1.444 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC=C)C1 1760545266 QXDLYMKTPBMAQA-OAHLLOKOSA-N 404.496 1.117 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CCN1CCOC 1763516042 UMADTYURUPMHRO-IBGZPJMESA-N 410.522 1.889 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1766715452 OKMCVQNLVXERDZ-CQSZACIVSA-N 422.486 1.142 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1768013001 HOYIVWCXPVDJIB-AWEZNQCLSA-N 405.462 1.508 30 10 HDEE CO[C@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)CCOC1 1769770268 NRNJVXAPNMEVFP-DJJJIMSYSA-N 402.455 1.407 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CCO1 1770746538 BCPZDZGNPDQWEV-LRDDRELGSA-N 402.405 1.479 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCc1cnn(C)n1 1771181717 XJDZQCBGELVQAO-INIZCTEOSA-N 416.530 1.893 30 10 HDEE COC(=O)CN(C1=C(C(C)=O)CCCC1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2 1848459846 ZIAXIZSFEWAXCP-UHFFFAOYSA-N 406.460 1.762 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2-c2ccncc2)CCO1 1848461884 LWCAYCMLPAWOOA-MRXNPFEDSA-N 418.413 1.465 30 10 HDEE C=CCN(C(=O)[C@@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCN(C)C1=O 1848977572 TVKAYXZJLPOOSR-QZTJIDSGSA-N 421.563 1.832 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)CC1=O 1850570320 DDYWGHPWXWRVEB-AUUYWEPGSA-N 410.430 1.378 30 10 HDEE Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@H]2[C@H](C#N)c2ccccc2)n(C)c1=O 1851071195 YONXMFMISVASLT-SJORKVTESA-N 420.473 1.122 30 10 HDEE C=CCC[C@H](C)C(=O)Nc1c(C(=O)OCC)cnc2nc(N3CCOCC3)nn12 1851165611 ZWKJQXJJNCHEFX-ZDUSSCGKSA-N 402.455 1.678 30 10 HDEE C[C@H]1CC(=NC(=O)[C@H]2CSc3nccc(=O)n3C2)NN1c1ccc(Cl)cn1 1851781553 UNPQUGGDWCEGGP-WDEREUQCSA-N 404.883 1.742 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4cccc(F)c4)C3)CO2)nc1 1852163032 FZWOWEQMUZWMKF-AEFFLSMTSA-N 410.405 1.804 30 10 HDEE N#Cc1ccc(CN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)c2cnccn2)cc1 1852496818 HNZIFCJTGKPINW-SFHVURJKSA-N 405.458 1.909 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)OC2COC2)cc1 1853045558 QUTURHYGEWINNF-KRWDZBQOSA-N 422.409 1.668 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2)CC1 1853688626 YXPBQURVRPQGIA-ZWKOTPCHSA-N 409.490 1.578 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@@H]4CCCS4)C3=O)CC2)CC1 1853743421 MWKSCUYOCZMARG-ROUUACIJSA-N 418.563 1.484 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@H](C2CCN([C@@H](C)CCC#N)CC2)CC1=O 1853896458 SPISHSJOXBDNFL-DOTOQJQBSA-N 414.506 1.787 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1=O 1854216212 QSPKMOWGFIDHIA-ZBFHGGJFSA-N 406.870 1.879 30 10 HDEE Cc1cc2ccccc2n1CCC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855019023 HACIYMXJIPRJCS-FQEVSTJZSA-N 407.518 1.999 30 10 HDEE CCN(CCn1ccnn1)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1855214015 FWDNDKVPMYEVNO-QGZVFWFLSA-N 400.870 1.761 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nnc(C4CCOCC4)o3)CC2=O)cc1C#N 1856633990 DWXIBBITUMTLTG-UHFFFAOYSA-N 409.446 1.628 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2cccc(C)c2)C1)[C@@H]1CCN(C)C1=O 1857044860 AWIFXZVBDXSFTL-UYAOXDASSA-N 413.518 1.858 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C(=O)C2)cc1 1857372091 ZAORLMBQBQDUBH-SFHVURJKSA-N 403.442 1.320 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(F)c2)cc1 1859009288 IITFVTWMTMUUKV-UHFFFAOYSA-N 404.419 1.846 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 1868620183 XXXICJKAODIKMM-MRXNPFEDSA-N 405.520 1.936 30 10 HDEE CCCCCCCCn1cc(OCC(=O)NCCOC)c(=O)cc1CN1CC(O)C1 1870519663 BDVQNXHNUCKNPL-UHFFFAOYSA-N 423.554 1.527 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872596351 NSMRJKJYLXAWRA-KRWDZBQOSA-N 407.423 1.926 30 10 HDEE C[C@@H](C#N)S(=O)(=O)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2054405394 KRKUQMCVNSQKAD-RDJZCZTQSA-N 407.492 1.778 30 10 HDEE N#CC1(c2ncc(C(F)(F)F)cc2I)CS(=O)(=O)C1 2089932698 GAXGTWXNXPQADX-UHFFFAOYSA-N 402.135 1.895 30 10 HDEE NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(C#CCCO)cc1Cl 2152221169 BZKJKRQWRMCQOO-UHFFFAOYSA-N 406.891 1.750 30 10 HDEE CC1(C)C[C@@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784558 PJCZPHIIAMOAQM-CABCVRRESA-N 400.545 1.949 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2247843686 OVSGHRNBVDBOFY-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247857634 IDWMFZXYXCTOMO-INIZCTEOSA-N 420.315 1.601 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859433 VKLJRHNTVDZNGJ-STQMWFEESA-N 420.319 1.807 30 10 HDEE Cn1cc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912757 LMTJGGIZELGTMR-STQMWFEESA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247921814 WAHCNZNDYGPGHX-UONOGXRCSA-N 418.303 1.561 30 10 HDEE CONCCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267422711 CCEMBXCYFMMVLF-UHFFFAOYSA-N 410.754 1.520 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2cnsc2)OC1(C)C 2267707792 XYDKWLCXWQKYNS-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1csnn1 2267726596 CFZAJFQEFYHVRQ-SECBINFHSA-N 401.344 1.938 30 10 HDEE CCC1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270535174 VBJBZWFCCNPXFJ-MRXNPFEDSA-N 423.491 1.712 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@@H]3CO)cc2Cl)OC1(C)C 2282310260 RHEKSKIAAOPYGF-JTQLQIEISA-N 423.749 1.083 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282312747 ARAXZHBTFPQSMT-RUZDIDTESA-N 405.322 1.172 30 10 HDEE CC1(C)OC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)O1 2282332311 ZBYQVNJEHFPHRV-NSHDSACASA-N 403.331 1.477 30 10 HDEE C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332332 ZHNCGPLAJHKPJI-JSGCOSHPSA-N 401.359 1.971 30 10 HDEE CC1(C)CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282335049 KCDNNUFWKLVQSM-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H](N)C(F)(F)F)OC1(C)C 2282340876 KWORYSYWBZLOPI-SNVBAGLBSA-N 414.280 1.605 30 10 HDEE C[C@@H]1CC[C@@H](CN)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342434 HNMJPTNXFSVVFR-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)C[C@@H](O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282489137 FOWSCLHBWIXSPZ-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](N)C3)c(Cl)c2)OC1(C)C 2282493734 VXNZZGWEIYCWIX-CYBMUJFWSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@H]2CO)OC1(C)C 2282501742 BCXHHAIRUDTBTP-JSGCOSHPSA-N 401.359 1.628 30 10 HDEE C[C@@H]1NCCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506732 WRJRGLPVUNRDDD-NWDGAFQWSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CN4CC[C@H]3C4)cc2Cl)OC1(C)C 2282826966 VPXYUFKNCMVWQM-CMPLNLGQSA-N 418.777 1.683 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282841816 PYOBWPYYVDONFY-RYUDHWBXSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC4(C3)OCCO4)cc2)OC1(C)C 2282862352 BKCIVMWDAHABIE-MRXNPFEDSA-N 423.340 1.950 30 10 HDEE CO[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869280 ABTXODLBOKDXLC-IAQYHMDHSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2cccc3c2N(S(=O)(=O)C2CC4(C2)OCCO4)CC3)OC1(C)C 2295337187 GSZIKZGCZWDDEO-UHFFFAOYSA-N 421.324 1.584 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2296245002 CYRSXYRGGPDJFF-GWCFXTLKSA-N 402.347 1.226 30 10 HDEE CC#CCN(CC(=O)O)C(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc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c1cc(C)cc(C)c1 42736052 WVDSFOWRGLUDGX-UHFFFAOYSA-N 401.467 1.133 30 10 HDEE CCOc1cc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)ccc1O 59039841 CQOMXERQRKEFES-OMCISZLKSA-N 420.480 1.937 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1 90730978 JVMSZHPABPUNLT-UHFFFAOYSA-N 402.428 1.734 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)c1 96352191 KYGUYNIIKBFYLH-UHFFFAOYSA-N 402.472 1.736 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)[C@H](C)N2C(=O)c3ccccc3C2=O)cc1 96504496 GFWTXGSRYRWRBD-NSHDSACASA-N 415.427 1.975 30 10 HDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccco1 102740992 IFSSZULOEMUMHL-LYHOESIGSA-N 414.462 1.384 30 10 HDEE C#CCOc1ccc(CCNC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)cc1 109731493 OJWIQXRASUKRQI-FQEVSTJZSA-N 408.433 1.617 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)n2)cc1 409588060 YLGXBPWWFVJOPC-CQSZACIVSA-N 422.449 1.114 30 10 HDEE COC(=O)C[C@@H](NS(=O)(=O)N(C)C[C@H](C)C#N)c1cccc(Br)c1 409589128 LPAVHKHZZOOCCW-BXUZGUMPSA-N 418.313 1.979 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1)n1cnc(C#N)n1 409768130 NGLDCKYQYAYRGR-KGLIPLIRSA-N 400.870 1.666 30 10 HDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1 410397726 JINHOBDHZSMJBA-UHFFFAOYSA-N 419.406 1.854 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C#N 440381402 QFQGRAJQQOFVKZ-UHFFFAOYSA-N 418.478 1.701 30 10 HDEE COc1ccc(C(=O)NCCOc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1 461203297 MUOTZLIPHMNIDB-UHFFFAOYSA-N 415.471 1.816 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1C#N 464790009 ADLBICXZSOVFJM-AAEUAGOBSA-N 401.282 1.610 30 10 HDEE COC(=O)[C@@](C)(CNC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 469653559 LQDKGCJISUOORV-QFIPXVFZSA-N 407.474 1.916 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)N3CCC[C@@H]3CS(N)(=O)=O)ccc21 470541771 CJPAGMYCBOGCLE-MRXNPFEDSA-N 419.507 1.554 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3cnn(-c4ncccn4)c3)C2=O)cc1 486931234 AYYAOZDUXCJPDK-KRWDZBQOSA-N 402.418 1.457 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2OC2CCOCC2)CC1 488707766 KDYRMBBBGHOCTD-UHFFFAOYSA-N 420.485 1.835 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 489099451 IPXVMAHDCMKYNT-UHFFFAOYSA-N 420.516 1.347 30 10 HDEE C=CCN(C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 489312223 KJMXWFZSYLHREV-QGZVFWFLSA-N 421.519 1.674 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497555056 PVPOVGJVZKRUTF-UHFFFAOYSA-N 419.491 1.032 30 10 HDEE COCCOc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 502371383 CWASCKVFPVZDCU-UHFFFAOYSA-N 402.476 1.489 30 10 HDEE N#Cc1c(CCCNC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)nn(-c2ccccc2)c1N 503309377 INJMJNKLWQDXGP-WCARGRLMSA-N 413.481 1.702 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N(C)C(C)C)cc2C1=O 522788981 TYIUXKSQGZADBR-MRXNPFEDSA-N 401.488 1.851 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3COc4ccccc4C3=O)C2=O)cc1 538308783 AORDWGVONQYLOJ-IRXDYDNUSA-N 418.409 1.523 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1-c1ccccc1C 538497008 URPPNEQPFKNJGK-UHFFFAOYSA-N 420.494 1.169 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(CN2CCOCC2)cn1 539415018 KGRHAHYBMZEZLK-UHFFFAOYSA-N 407.518 1.989 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@H]3CCCCO3)CC2)n1 549624758 FJEFVMZGKYMWSF-IEBWSBKVSA-N 423.521 1.944 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(-c3ccc(OC)cc3)ns2)CC1 554920832 CSKAELVPOABRNO-UHFFFAOYSA-N 416.507 1.665 30 10 HDEE C=CCNC(=O)c1cccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 586595597 VGGQCIHVENYNGC-UHFFFAOYSA-N 402.476 1.614 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](O)C1 705679730 JXGPNKWMYWSNCM-DOMZBBRYSA-N 415.899 1.718 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)c1 726581237 PROBFZFTBRPTQE-UHFFFAOYSA-N 414.490 1.486 30 10 HDEE C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 728812036 VSEVJVDATFEQDU-LLVKDONJSA-N 400.416 1.611 30 10 HDEE CC1CCN(C[C@H]2CCCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)CC1 732465210 DVFIJCNVDRSZOC-NHKNDPDJSA-N 403.527 1.666 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(CN2CCCC2)CC1 733163227 DFKBPWBQISCEJP-UHFFFAOYSA-N 404.536 1.450 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)OCc2cc(Cl)ccc2OCC#N)cn1C 735348785 IJXAQRXNDAHRJT-UHFFFAOYSA-N 412.855 1.306 30 10 HDEE CN1C(=C2C(=N)N([C@H]3CCN(C4CCOCC4)C3=O)CC2=O)N(C)c2ccccc21 747865058 WUWWPUSWOMIFNM-KRWDZBQOSA-N 409.490 1.426 30 10 HDEE C[C@H](C#N)CN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CC1 754174544 HRSPVWSAMZCKNC-CZUORRHYSA-N 417.487 1.774 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 756657504 ICNNSFAPDSDIDV-HMMYKYKNSA-N 420.451 1.876 30 10 HDEE CCc1ccc(S(C)(=O)=O)cc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 759172028 QXCNAPCRQFAPAQ-UHFFFAOYSA-N 406.485 1.784 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 765190130 VAQJVZLPPSPWDE-HIFRSBDPSA-N 404.410 1.374 30 10 HDEE CC(=NNC1=NC(=O)C(=O)N1)c1cccc(S(=O)(=O)NC2CCCCCC2)c1 765590819 CFYYBUHQJUIYEA-UHFFFAOYSA-N 405.480 1.014 30 10 HDEE C[C@@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)N(C)CCC#N 768052621 ZPKWJUNJEZJKGP-MRVPVSSYSA-N 412.315 1.749 30 10 HDEE Cc1ccsc1[C@H](CO)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 771233265 QTRXPJXXLTXPGZ-JSGCOSHPSA-N 407.517 1.723 30 10 HDEE C#CCN(C(=O)Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 774016697 IQSWQYLOAGQRAX-INIZCTEOSA-N 403.504 1.967 30 10 HDEE C#CCN(C(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1)[C@@H]1CCS(=O)(=O)C1 774049877 WSJFTZLOZNSFNL-QGZVFWFLSA-N 412.533 1.664 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 775849855 KSUZNBAXDCERJO-MRXNPFEDSA-N 409.508 1.557 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cc(OC)nc2C)c(=O)n1CCC 781649561 SBQQHRWNHAWZPZ-UHFFFAOYSA-N 414.531 1.370 30 10 HDEE CNCCCc1[nH]nc(NC(=O)COC2(C)CN(C(=O)OC(C)(C)C)C2)c1C#N 783879683 GSOHBGJSZBMNNI-UHFFFAOYSA-N 406.487 1.398 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2cccc(C(=O)N(C)C)c2)n1 789042038 UFSCCYISLLOEGI-UHFFFAOYSA-N 411.506 1.619 30 10 HDEE C[C@@H](CC(=O)NCc1ccnc(OC(F)F)c1)/N=C1/NS(=O)(=O)c2ccccc21 791317901 MXWVCAPCZFGWHS-NSHDSACASA-N 424.429 1.817 30 10 HDEE COC(=O)N1CCC([C@H](C)NCC#CCN[C@@H](C)C2CCN(C(=O)OC)CC2)CC1 792880227 PQCPOESBFJTUOV-ROUUACIJSA-N 422.570 1.903 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796416752 MTKYLLLXVNLGSM-LPHOPBHVSA-N 402.495 1.852 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C(=O)[C@@H](C)n2cnc(C#N)n2)ccc1Br 798824205 BKGPATYQIJCHIS-SNVBAGLBSA-N 412.269 1.629 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)cc1 801617847 REFLYQFWRAPSLN-WLBYNQIMSA-N 408.480 1.131 30 10 HDEE C#C[C@H](NC(=O)Cn1cc(S(=O)(=O)N(CC)CC)ccc1=O)c1ccc(F)cc1 812750111 LBNGBPKEDSKQGL-SFHVURJKSA-N 419.478 1.509 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc3cc(Br)ccc23)C1=O 813384757 FZCFRJJRRSTXNY-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)C(=O)OCc1ccccc1 1144130952 FTZGCMDXNCYUIO-HUUCEWRRSA-N 415.471 1.473 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@H]2NC(=O)NC2=O)cc1 1149237154 DJPQVFPUENETRJ-CABCVRRESA-N 400.435 1.812 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1 1150666123 YFDYIHBHASOOQZ-UHFFFAOYSA-N 400.460 1.570 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1153262327 KOMWKQQOWHBDBT-UHFFFAOYSA-N 400.294 1.843 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](C(C)(C)O)C1 1154096984 LEPYUSAMKGYFEM-ZBFHGGJFSA-N 407.536 1.759 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(O)CCC3(CC2)OCCO3)c1 1156029785 NBJAHRBMFFHVMM-UHFFFAOYSA-N 407.488 1.262 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2CO)cc1 1178770370 UBGJCHXTNIODKX-GOSISDBHSA-N 402.472 1.719 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 1183858193 SVNDVHRCIDODNF-JSGCOSHPSA-N 405.398 1.453 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCCC)c(CC)c2)CC1 1187353396 JKKYCPTURAROQH-UHFFFAOYSA-N 421.563 1.484 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@@H](CNS(C)(=O)=O)C1 1197572711 FWURFYYVRDTLHQ-CABCVRRESA-N 410.565 1.890 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(O)nc(C3CCC3)n2)c1 1213259870 XXIFPDBTGPWHSR-UHFFFAOYSA-N 402.476 1.844 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCCOCC1 1213711375 CFMJROMAFCWDSS-UHFFFAOYSA-N 401.529 1.288 30 10 HDEE C=CCCOCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1225380711 LDZKPLVEHGDFRY-HNNXBMFYSA-N 419.544 1.303 30 10 HDEE CO[C@@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[C@H]1CCOC1 1252898778 ATVBGBNUJJINGY-HKUYNNGSSA-N 400.479 1.970 30 10 HDEE Cn1ncc(I)c1CNC(=O)NCC#C[C@H]1CCCCO1 1254555248 FHGDHONMLXGQIV-LLVKDONJSA-N 402.236 1.396 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1286357565 LEHMGLSJIUJSIM-UHFFFAOYSA-N 416.570 1.753 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1286396102 VKRMNWLGJPZXEY-KRWDZBQOSA-N 405.499 1.686 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1286400167 YEURHTYWAXTCIS-DLBZAZTESA-N 420.583 1.082 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1286414984 GABAECAHZZGROX-GOSISDBHSA-N 412.515 1.407 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc(Cl)cn1 1286418851 JIIAXMKBXKAIQK-UHFFFAOYSA-N 422.880 1.938 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F 1286419804 FWBRWPAGVNOHHV-CYBMUJFWSA-N 419.473 1.940 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1286449094 KNPWTQFQNMVEJG-UHFFFAOYSA-N 402.524 1.342 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCC(=O)NC)CC1 1286480732 ZUJWVROFGHLTAT-UHFFFAOYSA-N 419.489 1.491 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCO[C@H]2CCOC2)CC1 1286481829 YFFIQROFUAMPRZ-OALUTQOASA-N 403.527 1.123 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](c2ccccc2)C[C@H]1C 1286785779 IMTCZPHYTQGTHZ-NJAFHUGGSA-N 408.506 1.914 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cncn2)C1 1286788183 RSNBMORMZQKQIK-HOTGVXAUSA-N 400.487 1.255 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C(F)(F)F)c1 1288175498 UIMXTDHYSCTYQM-JLHFOLKXSA-N 407.348 1.440 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1288529367 HZGAJXZJSMTYNK-IERDGZPVSA-N 409.494 1.534 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1289361613 IXILUZADQBNOAU-IVZQSRNASA-N 417.506 1.988 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1300538081 NHFLLJPHPANRQC-NQIIRXRSSA-N 421.501 1.584 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nncn1C 1300653101 IUTRVAILAUSNBR-OAHLLOKOSA-N 413.457 1.820 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N(C)C)C1CC1 1301316632 GWUSTQKSMZKXRA-UHFFFAOYSA-N 417.535 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1301588801 JNPGKDGWFQCVLL-GVDBMIGSSA-N 411.572 1.302 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1303323228 YQMKYCIDAHNVRC-CQSZACIVSA-N 411.436 1.094 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CC1 1303941606 DNRZKWKAWPBNEG-OAHLLOKOSA-N 411.466 1.269 30 10 HDEE COC(=O)c1ccc(N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c(C#N)n1 1307192651 ASHDYMQKQQKSCK-CQSZACIVSA-N 402.451 1.875 30 10 HDEE C#Cc1ccc(NC(=O)CCN(CCNC(=O)OC(C)(C)C)C[C@@H](O)CO)cc1 1307865661 KICWIJIYAGERLA-GOSISDBHSA-N 405.495 1.176 30 10 HDEE C#CCN1CCN(C(=O)CN2[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@@H]2C)CC1 1307880108 AAWOKDLOVXSCDS-QYZOEREBSA-N 406.571 1.778 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OC 1309574469 WZYDDEQAKXQVIC-ZWKOTPCHSA-N 422.503 1.662 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C)C1CCOCC1 1311719316 SDIOABULUWTTQD-KRWDZBQOSA-N 407.536 1.991 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)SC 1316207064 SYVZNAZRMLSJKE-ZMSDIMECSA-N 408.572 1.930 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1 1320187119 NXBDHKADKLOMKO-MRXNPFEDSA-N 407.536 1.954 30 10 HDEE C=CCn1c(-c2ccc(C)cc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1338907719 QJYIFLHMMQXVHQ-UHFFFAOYSA-N 410.522 1.420 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1342019631 QQDISJBHIFWGRN-LEWJYISDSA-N 414.462 1.619 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1342229035 RGCQYSZBIRSVGB-FDIDWWNZSA-N 416.503 1.511 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1358966588 RUQDFZCNXNSXFV-INIZCTEOSA-N 419.551 1.217 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1CCS(=O)(=O)CC1 1359022962 SLVNPSKJGMXGFK-UHFFFAOYSA-N 417.535 1.559 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCOCC2)C1 1359048609 WRVNAOZFSLYVEQ-UHFFFAOYSA-N 403.552 1.887 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1359126603 UAMDJWPLGIAGIH-HOTGVXAUSA-N 421.498 1.903 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1359130613 PQOWRIBLTZDUDP-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=C(Cl)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1359157150 AGRGOAKGLZSBKP-INIZCTEOSA-N 404.920 1.306 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1359158006 AYDVVZNIDYQAOZ-FBMGVBCBSA-N 413.482 1.099 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359197705 XSRIOKUTTBWBOD-HNNXBMFYSA-N 418.523 1.905 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](C3CC3)C2)nnc1[C@]1(OCC)CCOC1 1359305801 NARXWWGLSAPMKH-WJPUGNRLSA-N 419.526 1.236 30 10 HDEE CCOC(=O)Cn1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1437176674 HINCQDHKJUXEEW-UHFFFAOYSA-N 404.448 1.776 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(c4ncccn4)CCC3)C2=O)cc1 1438878700 XAEHAHFWJXSBDU-INIZCTEOSA-N 404.430 1.749 30 10 HDEE C#CCN(CC(=O)NCc1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)OC(C)(C)C 1442971208 BTAWIUKEWOCWEN-NRFANRHFSA-N 414.462 1.228 30 10 HDEE C#CCN1CCCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 1444338791 RLYSHYXBTKUCEA-UHFFFAOYSA-N 417.307 1.717 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(O)C[C@H](OCC)C2(C)C)s1 1448866891 UETZTIBPGKVFJU-KBXCAEBGSA-N 416.565 1.437 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)c(=O)nc1O 1453826204 FSNCEGSJLFBZOR-GOSISDBHSA-N 417.425 1.108 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1465507036 XNBFUZPQRVHURZ-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE C#C[C@@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1468172139 CBEQYGCBKRYQHW-IERDGZPVSA-N 419.547 1.988 30 10 HDEE C#C[C@H](NC(=O)NCc1c(I)cnn1C)C1CCOCC1 1470863787 HFOMFRZETYKVTQ-LBPRGKRZSA-N 402.236 1.252 30 10 HDEE N#CCC1(CS(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CC1 1475392754 IACKRSIXTVYPGY-UHFFFAOYSA-N 404.536 1.497 30 10 HDEE CCC[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1500053734 FHGFXHAJBSLGDQ-IUTYPILCSA-N 402.499 1.933 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC(F)F 1507605510 RIXKVXYMEZTZOH-UHFFFAOYSA-N 424.839 1.312 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1507628843 ILPRKJMLQHSVQW-SJORKVTESA-N 415.519 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1ccc2c(c1)OCO2 1507657609 UHTHXOYFGXYWKA-UHFFFAOYSA-N 421.457 1.281 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1507677172 VJBMRTULOXMPRF-DNVFCKCGSA-N 413.566 1.726 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCC(=O)NC 1507791667 PLBKDJRIIJNZDN-RDJZCZTQSA-N 406.531 1.360 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1507844141 CTZAVZSINWOJIL-DLBZAZTESA-N 412.556 1.636 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1507860171 KJPYJCKTOCWUJC-UHFFFAOYSA-N 418.929 1.582 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)CC1CC1 1507971139 JALFNICBUXIWDZ-UHFFFAOYSA-N 404.496 1.372 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(S(C)(=O)=O)CC1 1507975658 SVTSCUJGZOBOMT-UHFFFAOYSA-N 404.492 1.916 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCC)C1 1508139254 FCYCEDONUVLKSI-INIZCTEOSA-N 408.528 1.285 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c(F)c1 1518254571 FUTAGFHDMPBASZ-OAHLLOKOSA-N 402.430 1.341 30 10 HDEE C=CCN(C(=O)c1ccc(I)cn1)[C@@H]1CCS(=O)(=O)C1 1520934582 DEAFJJQUOXCVPU-LLVKDONJSA-N 406.245 1.502 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccc(Cl)cc1 1525037524 BQNBOSZAHPASNE-LZQZEXGQSA-N 400.866 1.853 30 10 HDEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1531661291 PKEGVBWEIBJUPB-QGZVFWFLSA-N 422.503 1.948 30 10 HDEE C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1537672953 WWQCEJMNOYVHRX-ODXCJYRJSA-N 414.466 1.360 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC1CCOCC1 1538963059 AFFLJARGHNASRN-INIZCTEOSA-N 412.494 1.969 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1539117267 SPHKYIKZHMODOW-HOCLYGCPSA-N 412.498 1.217 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1539446528 FITWDOWUJWXDKE-OXQOHEQNSA-N 401.536 1.506 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC(C)(C)C2)CC1 1539467768 ZDAKEJJZARATGT-UHFFFAOYSA-N 414.554 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCC(=O)NC2CC2)CC1 1539475634 KQHHYHSOKIJTFF-UHFFFAOYSA-N 423.521 1.298 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CC)OC 1539669706 SKXDLRZDSLTIPK-CVEARBPZSA-N 415.560 1.438 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539824184 ONRFCPPYKVBUNZ-IMJJTQAJSA-N 424.933 1.795 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1nnc(CC)s1 1540188897 AIAYFXRRKGMGSO-UHFFFAOYSA-N 405.528 1.615 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1540868950 XFEJIDCWCXXEGG-UHFFFAOYSA-N 421.505 1.691 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1541030469 CMIVTOYHYBSPNZ-KRWDZBQOSA-N 405.466 1.098 30 10 HDEE CC1(C)CN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1542581347 NYNVQJYBWHCJGH-UHFFFAOYSA-N 421.339 1.984 30 10 HDEE N#CC1(CC(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)CCCCC1 1544375647 KZEMETIKICQVSW-UHFFFAOYSA-N 404.555 1.928 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCC(C(=O)NCCCN4CCOCC4)CC3)ccc12 1544375987 UQLHUWMYPCIDRS-UHFFFAOYSA-N 423.517 1.730 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCn3ccnc3C2)CCOC1 1547861096 SMCCDMUYGLLSRN-CSODHUTKSA-N 413.526 1.985 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1555683339 XYMKVEKTDLIVHU-VQIMIIECSA-N 423.489 1.436 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1557718891 WFLQDTDVDXQXKD-UHFFFAOYSA-N 424.482 1.806 30 10 HDEE CON(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H](C)C(=O)OC(C)(C)C 1557992261 RCAQKJWIXKXAEA-ZDUSSCGKSA-N 411.480 1.531 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 1558109897 DNCQHANSWCLTQX-NSHDSACASA-N 413.219 1.324 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 1561703898 AJJVJRIIYBAOCN-UHFFFAOYSA-N 405.524 1.924 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 1566673245 CVBYZNICENTRHV-IAGOWNOFSA-N 406.527 1.058 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccccc2OC)CC1 1566727042 RNULFWOQBAJGJG-SFHVURJKSA-N 402.495 1.249 30 10 HDEE C=CCN(CCc1ccco1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1566934488 TWRVFLJOQUCTGA-KRWDZBQOSA-N 412.895 1.830 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCc3c(C#N)cccc32)C1 1570500016 FDBPYWBFGFPBHC-MRXNPFEDSA-N 413.503 1.888 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1583611934 IZGOAYZGGZITMS-IBGZPJMESA-N 402.516 1.437 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)N2CCOCC2)C1 1586771964 WMLMMFAMWQWZLO-UHFFFAOYSA-N 421.295 1.122 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(OC)c1 1587550217 KUWFSGUBMYEQNQ-INIZCTEOSA-N 424.505 1.411 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1587641336 ZCKQXVHYPMAYCB-HNNXBMFYSA-N 413.613 1.703 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1587754704 JNUBKPMGLYYPNZ-HNNXBMFYSA-N 419.489 1.307 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCN(CC)CC1 1587957773 JGIKRTWGZRYHRO-QGZVFWFLSA-N 410.522 1.769 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1cccn1 1587984936 OQORMFVRVVMFTJ-UHFFFAOYSA-N 405.510 1.808 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(F)(F)Br 1588672958 JDAJNVYQKAZNSU-UHFFFAOYSA-N 420.258 1.474 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1 1589600156 WYRJNRRSUWLVPP-OAQYLSRUSA-N 421.542 1.582 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2nccc(OC)n2)CC1 1595421496 KZHZWFGBDZAYJH-UHFFFAOYSA-N 412.523 1.945 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1595442156 FFGYYMCXDIWQHB-HNNXBMFYSA-N 423.514 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(N2CCCC2=O)CC1 1595522813 KKNCXICVQDETAX-UHFFFAOYSA-N 411.510 1.177 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1596336137 FDWUXQVXJGECOX-KRWDZBQOSA-N 423.535 1.529 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CC(=O)N(CCOc2ccccc2Cl)C1 1597332468 NTFYFUZLYUIAIM-CQSZACIVSA-N 407.854 1.483 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO 1603338163 YOZNYMVPQWLPFH-HOTGVXAUSA-N 408.296 1.757 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CC1 1608134433 SGFHTGQKAPVPOD-UHFFFAOYSA-N 411.554 1.925 30 10 HDEE CO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1618955498 HGIMDUALZPIQHG-CHWSQXEVSA-N 416.404 1.210 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)n1 1622097204 QZIDBTJRIVPLRI-OXJNMPFZSA-N 407.536 1.690 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 1622375577 HUYVDKUNLCGKRT-KGLIPLIRSA-N 401.872 1.470 30 10 HDEE C[C@H](C(=O)NC1CC1)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1623692302 BTXRNXHAGIPPLP-NVXWUHKLSA-N 421.542 1.385 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCNc1ncnc2ccc([N+](=O)[O-])cc12 1626527890 HKDNCAJILRHVKV-KRWDZBQOSA-N 400.439 1.927 30 10 HDEE CC(C)(C)n1nnc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1628049137 RKLULTDEFKPYDV-UHFFFAOYSA-N 418.299 1.815 30 10 HDEE C#CCN(C(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1)[C@@H]1CCS(=O)(=O)C1 1628105701 LZRZUCYRVPQPRS-LLVKDONJSA-N 402.831 1.920 30 10 HDEE CCn1ncn(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)c1=O 1628810468 FUAPIUNOHJBBJP-MRXNPFEDSA-N 412.450 1.541 30 10 HDEE C#CCSCCNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1629584583 JCCOYCMUDZKHAO-UHFFFAOYSA-N 411.730 1.846 30 10 HDEE Cc1ccccc1CN1CCO[C@@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1635937643 DFLTWJJGYUHHLN-VEGAHXMMSA-N 412.490 1.229 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2)C1 1635972049 ONQKICAWNBXFDT-YJYMSZOUSA-N 408.455 1.494 30 10 HDEE C#CC[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C(=O)OC 1637697801 WZMRNQKVDGPTSX-SFHVURJKSA-N 417.487 1.095 30 10 HDEE C[C@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCN(C2CC2)C1 1637865953 UQOCUHUFPDSMBO-DNVCBOLYSA-N 409.490 1.706 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C1)C2 1637885109 DVEHVPMSHUCYDV-PMXSJFBMSA-N 410.518 1.867 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1(C)C 1638024453 WXFFYVQKFUUURK-UPTRSRDDSA-N 406.483 1.807 30 10 HDEE CC(=O)NCCNC(=O)CCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1638615987 AQPCSSAWHWFBAY-CYBMUJFWSA-N 412.412 1.979 30 10 HDEE COC(=O)c1sc2c(c1Br)CN(C(=O)NCC#CCN(C)C)C2 1639134334 NUKMQTNESRABSF-UHFFFAOYSA-N 400.298 1.887 30 10 HDEE CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CC(=O)N(C)C1=O 1639351777 WGUFLDRXIHTOSZ-LSDHHAIUSA-N 408.499 1.960 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1=O 1639594963 WVFIDLLFGIOAKB-QZTJIDSGSA-N 417.531 1.846 30 10 HDEE N#CCCSCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1641187237 IGZWOXAQHDSZME-UHFFFAOYSA-N 403.913 1.946 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1641574618 PVFFNQLWXVYQIE-GFCCVEGCSA-N 423.834 1.773 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccn3c(I)cnc23)CC1 1643516284 FDVANXYFDVYRPC-UHFFFAOYSA-N 409.227 1.929 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)Cc2ccccc2F)ccc1F 1644831877 ZWXHHTMKPWRFIX-OAHLLOKOSA-N 410.442 1.763 30 10 HDEE C#CC1(O)CN(C(=O)c2occc2CS(=O)(=O)c2ccc(Br)cc2)C1 1646382170 WUUHCQNNGIRXTR-UHFFFAOYSA-N 424.272 1.836 30 10 HDEE CC(C)C[C@@H](C)N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1652136002 FFPIJBXRHGWXGL-CQSZACIVSA-N 406.483 1.116 30 10 HDEE C#CC1(O)CN(Cc2nc3c(c(O)nc(=O)n3Cc3ccccc3)n2CCC(C)C)C1 1655011916 CRPBKYBCSLUHJR-UHFFFAOYSA-N 421.501 1.573 30 10 HDEE N#Cc1c(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc2c1CCC2 1655771011 VSYIGGKTRZCCIJ-KPZWWZAWSA-N 404.517 1.307 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2c2ccccc2)c(C#N)c1=O 1655955365 GZSWJBQOHVCUAS-JKSUJKDBSA-N 411.462 1.760 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)cc3c2OCC3)CC1 1656624522 RPJVARBFYKEVTP-UHFFFAOYSA-N 400.294 1.923 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 1660551513 NGRALYBZWKITHL-UHFFFAOYSA-N 407.499 1.700 30 10 HDEE COC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Br)c(C#N)c1)C(=O)OC 1663173576 COASVHZNXBAXMO-GFCCVEGCSA-N 419.253 1.094 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2CC2CCOCC2)C1 1671495082 KVSGPVRWAJCZMJ-OKZBNKHCSA-N 422.526 1.973 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1674391613 VJALOXFORHXOMA-SAABIXHNSA-N 405.520 1.699 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)C1 1684077669 IBXHLXLUIHOVOK-INIZCTEOSA-N 410.565 1.298 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689980092 LMJYOGVBNVJTAA-CVEARBPZSA-N 423.583 1.723 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1690219602 HPLGYXPOMXMGPO-CYBMUJFWSA-N 416.320 1.579 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1690538365 GXXNOMSHTBAVEG-RTWAWAEBSA-N 403.527 1.952 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1692660989 FBTDRHVCZJGAFE-MRXNPFEDSA-N 421.505 1.947 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O)N1CCOCC1 1692695288 BMWVREUNYHACGJ-CVEARBPZSA-N 411.510 1.238 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1696442825 NIKGLOCOCQIEBC-LJQANCHMSA-N 416.501 1.960 30 10 HDEE COCCOCCCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1698217567 SKQBRKVUDOJLEL-UHFFFAOYSA-N 402.474 1.977 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1698484811 VYPIXXMJDYDYGI-DNVCBOLYSA-N 406.462 1.257 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1705503360 VNCWZJNDDRDESH-AWEZNQCLSA-N 416.507 1.570 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705524624 PYLYPKYPCIZMAD-DNVCBOLYSA-N 411.572 1.943 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564142 AONDVNSYDCWHNZ-SFHVURJKSA-N 407.584 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(F)(F)F 1705624116 QVFKCZTVXOIQNK-UHFFFAOYSA-N 406.372 1.569 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cc(C)nn1C 1705629012 VFMIVEJKJXHAFM-HXUWFJFHSA-N 422.489 1.967 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H](C)COC)CC1 1705643297 ZZAGMUYLVCQSQS-SFHVURJKSA-N 413.522 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCCn2ccnn2)CC1 1705646586 JBMMJZQGWASDQS-UHFFFAOYSA-N 422.493 1.494 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCCN(CC)S(C)(=O)=O 1705674085 YXFFSSLQNYOEAZ-HXUWFJFHSA-N 418.567 1.947 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705825573 XDZYNZZDVDKVRO-OXJNMPFZSA-N 407.515 1.393 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1705848561 XKVHYKLZBXOUOV-ZUVSJKOSSA-N 416.482 1.151 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1706076831 DEMMWLVENPEWNY-IIBYNOLFSA-N 409.494 1.918 30 10 HDEE CCCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709671823 MGKCXKRGDQLZIG-MSOLQXFVSA-N 415.542 1.613 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](F)COC 1710867412 LTLGXDCNEVYKFS-MRXNPFEDSA-N 409.487 1.672 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1712883473 ZXTJZVHKLZJCIW-HNNXBMFYSA-N 413.507 1.659 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CCO1 1712884500 MYMRLGMXCHSIQU-GJZGRUSLSA-N 402.405 1.944 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1CCS(=O)(=O)CC1 1722638578 GQAIFPNAJBJCAH-UHFFFAOYSA-N 407.496 1.453 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCOC1 1722680733 XUGWVXBAHOBYNE-LZJOCLMNSA-N 408.543 1.987 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1722701239 KHOYNGKHCAWQLW-UHFFFAOYSA-N 410.526 1.430 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CC)C1 1722728334 QDIHHUAQOWQXBE-GJZGRUSLSA-N 416.569 1.017 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1730154483 HFDAZTNSAKZKTE-QFIPXVFZSA-N 417.473 1.970 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1731182208 QYQSYOQVKLTZIE-OALUTQOASA-N 424.505 1.714 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740565261 PLMPALBATOECSJ-HNNXBMFYSA-N 401.471 1.489 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1740623794 AXULCYNXYTZDSB-QGZVFWFLSA-N 415.519 1.309 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1740718798 BRWKLXHQKPGZOS-INIZCTEOSA-N 414.510 1.588 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1740789851 LWQIDOGOBHVRHA-UHFFFAOYSA-N 405.524 1.619 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1740939641 YOJCNZBYMGUARH-UHFFFAOYSA-N 420.901 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC[C@@H]1C 1740956010 FBPLHMSWLYNIRX-CVEARBPZSA-N 421.509 1.848 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1741001026 JEHXDVQXYVAJMP-CYBMUJFWSA-N 418.523 1.592 30 10 HDEE CCC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)OC 1745276620 XWRHEEDSXOVNLC-KGLIPLIRSA-N 402.455 1.550 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC)c1 1748656289 POMDYKPDUFSSDI-OAHLLOKOSA-N 402.466 1.643 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2nnn(C)n2)c1 1748694722 MNCDCMAFYAWFAT-UHFFFAOYSA-N 407.482 1.105 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1748708127 WCIMTHFLCIYINW-GOSISDBHSA-N 421.505 1.910 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1748907427 VFKNDHLOTFEHDC-UHFFFAOYSA-N 408.506 1.712 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CC(OCC)C2)CC1 1748995000 VQKAHSRYAHDZOW-UHFFFAOYSA-N 423.561 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCO2)CC1 1749016787 OOVQGPDHUMDJSA-FQEVSTJZSA-N 422.533 1.799 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC)C1 1749134976 AUYALYPFSKMGAG-ZWOKBUDYSA-N 419.526 1.233 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(N)=O)CC1 1749459383 INFFGNBUXIUMTQ-UHFFFAOYSA-N 423.521 1.811 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749709380 OZPAPXXHTHVLSU-OSCRUYLVSA-N 412.494 1.853 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1749860862 BGKRDJREHIHAJN-FUHWJXTLSA-N 421.505 1.908 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760144423 OKKVHGQKXAOOPG-MJGOQNOKSA-N 416.570 1.767 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1760190309 VPPFUMHUBSSLOE-HNNXBMFYSA-N 405.549 1.849 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC(C)CC1 1760250021 AJEBQBDRAKXMLH-LJQANCHMSA-N 416.570 1.607 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCC[C@H]2CC)CC1 1760260563 XNJNIMDIHJVAEZ-MOPGFXCFSA-N 413.570 1.249 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCOCCCO 1760298647 PFWXCJGJMZSIIU-HXUWFJFHSA-N 417.535 1.661 30 10 HDEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(=O)NC)C1 1760424031 UEEVLESRROPEHG-GOSISDBHSA-N 413.478 1.981 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)cc1 1760530127 QANXJCMIZSKTCI-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(C)CN(C2CC2)C1=O 1764078366 QRXCKRRACFYZBO-SZNDQCEHSA-N 415.542 1.803 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1 1769844774 DJBIKRHYPHYIEA-CABCVRRESA-N 413.569 1.300 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1770756514 HWIYWKDHFMRPQF-GOSISDBHSA-N 414.535 1.948 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 1850154781 IYRIRYOQHCBCHE-GOSISDBHSA-N 407.511 1.584 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2CSc3nccc(=O)n3C2)NN1c1ccc(Cl)cn1 1851781550 UNPQUGGDWCEGGP-MNOVXSKESA-N 404.883 1.742 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C(=O)[C@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 1851996805 KEQKPRDQNUBJPM-DNVCBOLYSA-N 403.414 1.464 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(C)cc1F 1852507166 XLBJWHVJBWEVNZ-UHFFFAOYSA-N 420.452 1.901 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3c(=O)oc4ccccc43)CC2)nc1 1852739175 LZTKGIKUYRKSRC-UHFFFAOYSA-N 407.430 1.227 30 10 HDEE C=CCNC(=S)NCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3 1852871162 UTXRHQNRQFATJO-UHFFFAOYSA-N 400.504 1.930 30 10 HDEE Cn1cccc1C(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)NOC[C@H]1CCCO1 1853524282 MVFBSUKBHOSXET-CQSZACIVSA-N 418.475 1.355 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2onc3c2CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1854083174 YUZPNBGOURYVFE-ZWKOTPCHSA-N 414.506 1.793 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)C3(CCCCC3)C2=O)cc1 1854457115 RQZSQTDHAWRXIS-GOSISDBHSA-N 415.515 1.733 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)n1 1854966234 CCHWUXPDYYWNDU-QZTJIDSGSA-N 413.522 1.920 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1855036649 NPUDNFBDSPCXHL-GCJKJVERSA-N 414.481 1.511 30 10 HDEE Cc1nc(-n2cccc2)sc1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855045616 KBOCZKCQRYFLEM-INIZCTEOSA-N 412.519 1.515 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855738014 OIXORRHOXNHAFM-CXAGYDPISA-N 407.467 1.835 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC(COc4cnccn4)CC3)C2=O)ccn1 1856426172 LABYFGDFSUKTIF-GOSISDBHSA-N 406.446 1.275 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 1856713479 UMNAWQSEVJQBOK-HNNXBMFYSA-N 418.519 1.730 30 10 HDEE CN1CCN(C2CCN([C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)C1=O 1857077988 UAIIESYUBOAQTQ-LJQANCHMSA-N 409.490 1.060 30 10 HDEE CC(=O)[C@H](C)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1857138944 QXGORXURSGLIRR-WMLDXEAASA-N 416.909 1.742 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3C[C@H](CN4CCC(CC#N)CC4)CC3=O)c2n1 1857221049 DOGQPBNYMVSUMY-KRWDZBQOSA-N 407.474 1.617 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CSc2ccncc2)C1)[C@H]1CCN(C)C1=O 1857263602 HNGGLYLRCOXFFJ-WBVHZDCISA-N 402.520 1.268 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3c(c2)ncn3C)C1)[C@H]1CCN(C)C1=O 1857277475 UYVUUHPIPXOHED-KXBFYZLASA-N 409.490 1.281 30 10 HDEE C=CCNC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1858376266 KPCTZAAYAWEDFZ-KRWDZBQOSA-N 405.520 1.626 30 10 HDEE C=CCNC(=O)[C@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861609333 PTDIBYDGZWKORE-QKKBWIMNSA-N 401.463 1.413 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)CCCc2ccc3c(c2)OCCO3)c1 1866789318 LCPTYMGSTPSMDZ-SFHVURJKSA-N 409.442 1.768 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2cccnc2)n([C@@H]2CCS(=O)(=O)C2)n1 1870002651 TUXZOPLULDVXFV-OAHLLOKOSA-N 402.480 1.463 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895866 PVOWOTAPNCEYPQ-CYBMUJFWSA-N 421.303 1.453 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 2074667758 VFAATHHKODGPCJ-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE CC1(C)OB(c2cnc(N3CCn4cnnc4C3)c(Br)c2)OC1(C)C 2116074079 ZKYFSDKAIBSTQP-UHFFFAOYSA-N 406.093 1.755 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)O 2151777129 XANZAXDPAWJDQG-LBPRGKRZSA-N 417.871 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(S(=O)(=O)N2CC[C@@H](C#N)C2)CC(F)(F)C1 2174782799 UYRJRPRPJGYRKM-ZDUSSCGKSA-N 408.471 1.655 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197514876 WCCFHEMYWQGKQH-CQSZACIVSA-N 401.529 1.855 30 10 HDEE C=C(CNC(=O)[C@@H](CCSC)NS(=O)(=O)CC)B1OC(C)(C)C(C)(C)O1 2197722722 KDVYJANPKZTEGJ-CYBMUJFWSA-N 406.379 1.351 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@@H](S(N)(=O)=O)CC1(C)C 2239522067 BJLCHSCOINAHEF-STQMWFEESA-N 402.517 1.242 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2243393412 RTWHRGYGQLHUEV-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE CO[C@H]1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243394264 FLIFDHQATBMVQS-CABCVRRESA-N 408.304 1.762 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778614 FMERJMLENQOWFC-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2247803458 DUKXTBBQHYCROY-AOMKIAJQSA-N 408.311 1.713 30 10 HDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826160 PEWDKHNMZFDSSD-STQMWFEESA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248402955 AHVMKBSVMISYCI-YCRPNKLZSA-N 420.315 1.763 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](CN)C3)cc2Cl)OC1(C)C 2267356269 LASXCNNSDQOCBK-JTQLQIEISA-N 406.766 1.670 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267412524 OBLIUWCUTIYMGE-JQWIXIFHSA-N 407.388 1.438 30 10 HDEE CS[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267706204 SUKDKVBBYFXTOX-LLVKDONJSA-N 404.388 1.709 30 10 HDEE C#C[C@@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270513476 GFAWHLSAQNQBNW-MSOLQXFVSA-N 422.503 1.518 30 10 HDEE Cc1nn(C)c(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2281980626 VNWLGYHSKXBZBB-CQSZACIVSA-N 405.304 1.253 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282196661 CZZOVKMITDHRPE-LBPRGKRZSA-N 401.359 1.989 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COCC[C@@H]3N)cc2Cl)OC1(C)C 2282304403 KEOSQESIVFZIEV-WDEREUQCSA-N 422.765 1.095 30 10 HDEE C[C@@H]1CNC[C@H]1CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282413173 AAERLBSKIQAWOT-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H](S(C)(=O)=O)CC[C@@H]1C)B1OC(C)(C)C(C)(C)O1 2282491244 KGBWBMBDCGAAIL-UONOGXRCSA-N 407.363 1.401 30 10 HDEE CN([C@H]1CC[C@H]1N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282496323 YTNDPDSXWRKXQC-KGLIPLIRSA-N 400.737 1.749 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC(C)(C)CO)c1B1OC(C)(C)C(C)(C)O1 2282499820 SMUDUWFYQHEISC-UHFFFAOYSA-N 403.375 1.961 30 10 HDEE CNC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 2282502352 JWKCPDFFEBIRGO-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CC[C@@H]3O)ccc2Cl)OC1(C)C 2282506071 MVPHFQBWOJUIOX-ABAIWWIYSA-N 401.721 1.688 30 10 HDEE C[C@H]1SCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282508613 YQJHXKDYPUUWLS-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H](CO)C2CCC2)OC1(C)C 2282831089 FBPXTNXHLDERFW-LBPRGKRZSA-N 402.347 1.023 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2282840712 PEEXTRYPTVKPNL-STQMWFEESA-N 401.359 1.890 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCN[C@@H]1C 2282844133 YNQSNTFMLMSJBX-DGCLKSJQSA-N 400.375 1.775 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282848642 QCZDZEFZBRVXTI-ZDUSSCGKSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)s2)OC1(C)C 2282851868 IHGILDXXSHOIQH-VIFPVBQESA-N 415.264 1.639 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282851927 JEWKRBZOPIGFJO-QGZVFWFLSA-N 401.359 1.378 30 10 HDEE CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857569 JWMHODGUXKIPGN-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)CC(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282872329 VBLOCNXXXCKHHN-SECBINFHSA-N 402.347 1.206 30 10 HDEE C[C@H](CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2283121099 WGMJLXAWTHOBFY-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CCCSC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2284378026 KJDHSYQKOJPSLI-NSHDSACASA-N 400.331 1.769 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284404702 YUCZGUNAHLLFFO-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(C(=O)O)C[C@@H]1C 2284413680 AUEKRGUSMSAQSW-FVMDXXJSSA-N 401.315 1.497 30 10 HDEE COC[C@@]1(C)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284698470 XKEKYZGHUDETKX-SJKOYZFVSA-N 401.359 1.998 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2286900881 HMAJNWXBRBREAE-OCCSQVGLSA-N 400.375 1.607 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccn2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296160538 XRXOCKPTTVOCLB-QGZVFWFLSA-N 413.386 1.420 30 10 HDEE COc1cc([C@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCNC(C)=O)ccc1O 2296936434 SDSQVMOJDYZDBZ-IBGZPJMESA-N 410.426 1.959 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)ns2)OC1(C)C 2360619864 BRMYAOSKHAZYPU-JTQLQIEISA-N 402.218 1.248 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1CC(CNC(=O)OC(C)(C)C)(OC)C1 2367798538 RFKLCOZINJRPOU-SWKXRBFHSA-N 400.541 1.475 30 10 HDEE C#CCOCCCCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2370338034 HNLDMDXXPUVJHG-HNNXBMFYSA-N 404.529 1.251 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)c1 11559143 XKJQFFFKAVZYLX-UHFFFAOYSA-N 422.445 1.237 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(S(=O)(=O)NC)c3)cc2C1=O 27302844 HHWOEESLTNQVTB-UHFFFAOYSA-N 413.455 1.307 30 10 HDEE O=[N+]([O-])c1ccc(O)c(/C=N/Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 27472521 AFQPESFQGCMCJN-XDHOZWIPSA-N 414.426 1.368 30 10 HDEE C=C(C)COc1ccccc1NCC(=O)N1CCNC(=O)[C@H]1CC(=O)OCC(C)C 66062821 ZGCNURHZWUEEEY-GOSISDBHSA-N 417.506 1.970 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NC3CCCC3)o2)c1=O 101350926 SDINMMYIWUDMJH-UHFFFAOYSA-N 405.480 1.156 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)CC2=O)c1 238814523 BDAZCFOHBBYGRB-MAUKXSAKSA-N 421.457 1.780 30 10 HDEE C[C@H]1CN(CCC2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C[C@@H](C)O1 301567229 QGVSRELTEDNPOO-IYBDPMFKSA-N 406.552 1.921 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CCN(Cc2ccccc2)CC1 465272501 AWGIIGUTNFEHHR-LJQANCHMSA-N 419.533 1.203 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)c1 485931098 HXQZZMSNPSGSSU-QGZVFWFLSA-N 402.472 1.824 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccccc1C#N 497555159 SAMPQHFRDQBSIH-UHFFFAOYSA-N 421.507 1.256 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3C[C@@H](CO)c4ccccc43)C2=O)cc1 498328576 CGZXNZIWUHJCEH-YJBOKZPZSA-N 404.426 1.886 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(Cl)c2C#N)CC1 506264844 RZPYRSSINIWCRS-CQSZACIVSA-N 424.954 1.965 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](C)c3ccc(-n4ccnn4)cc3)CC2)o1 538233476 NGZONUUDEHPCME-HNNXBMFYSA-N 420.477 1.435 30 10 HDEE C=CCN(C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 540553040 CGLPPTJIVKQWDL-INIZCTEOSA-N 409.512 1.149 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](CO)c2cccc(Br)c2)CC1 541985400 WGMROZQQLPMIKJ-ROUUACIJSA-N 423.355 1.764 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN(c2cccc(C#N)n2)CC1 544880708 LYUJFKHCHRETBQ-GOSISDBHSA-N 420.517 1.518 30 10 HDEE COc1ccc(-c2n[nH]c(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)n2)cc1 546925846 QWYBWYMDSZOZFU-UHFFFAOYSA-N 418.461 1.779 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1nnnn1C 549698384 BXNLNPODFYOGCG-UHFFFAOYSA-N 402.484 1.085 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCn3cc(Br)cn3)cc2C1=O 552376342 GZWJHGOIUIZACB-UHFFFAOYSA-N 403.236 1.858 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(C(=O)C(CC)CC)CC2)CC1 573354078 JDASDDFFGOPVQP-UHFFFAOYSA-N 407.559 1.043 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNS(=O)(=O)c3cncc(C#N)c3)C2)c1 578285099 VNQFHYKRVMZACQ-CQSZACIVSA-N 402.476 1.775 30 10 HDEE N#Cc1cc2c(nc1N1CCN(c3ccc4c(=O)n(CCO)cnc4c3)CC1)CCC2 585569243 XHYQLMWFKNWMDA-UHFFFAOYSA-N 416.485 1.471 30 10 HDEE CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)C(=O)NCc1ccc(C#N)cc1F 586864896 PPTQLIZLWLZJRI-MRXNPFEDSA-N 417.462 1.682 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C)N2CCN(c3ncccc3C#N)CC2)cc1OC 598930399 XTKGFKLVQHJQHV-QGZVFWFLSA-N 423.517 1.840 30 10 HDEE CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)s1 604275477 VEWKBISONYIBEY-ZDUSSCGKSA-N 419.532 1.723 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cnccc23)c1=O 611916099 GEUJEKXNOGWISU-UHFFFAOYSA-N 404.495 1.650 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](COC)C1 685547070 LMDTZRMOGOKWAD-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE NCC#Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(F)c1 707437933 ZQBAMSQNZIMOFW-UHFFFAOYSA-N 401.419 1.174 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 728830136 HEYBVEUAKXHNQJ-UHFFFAOYSA-N 424.482 1.667 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 728946131 APBCOATWZCYFKD-MRXNPFEDSA-N 413.526 1.140 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCN1C1CC1 732669668 NXJWJVKHVKBELA-AWEZNQCLSA-N 416.425 1.340 30 10 HDEE C=C(COC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OCC 734023319 RUQKGNCWGVXTTI-HUUCEWRRSA-N 411.476 1.761 30 10 HDEE C#CCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@@H]1CCS(=O)(=O)C1 739700904 OIZDJKRWISFHTL-CQSZACIVSA-N 412.393 1.549 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1C#N 752406595 YTGHSIZVCWSREU-MRXNPFEDSA-N 414.340 1.591 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1OC 752753511 LPWGZZIXVWBHKI-MRXNPFEDSA-N 404.467 1.461 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)CC1 756035100 RFUWFJJSAKJIQW-HSZRJFAPSA-N 418.541 1.811 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)cc2OC)c1=O 758061261 BPLIHGINKWMJJE-UHFFFAOYSA-N 408.479 1.432 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cn1 772310502 FBNTVCMPZXNESH-UHFFFAOYSA-N 400.529 1.442 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 772920394 YSAZPJXDGYXLRV-YCPHGPKFSA-N 422.507 1.208 30 10 HDEE COc1cc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 778739403 OEMGJTJOKVYVJF-UHFFFAOYSA-N 419.415 1.775 30 10 HDEE N#CCOc1ccc(CC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 779597206 OCDGJVFOKWCFJC-UHFFFAOYSA-N 411.483 1.735 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cc1 780848573 PJPQMRSTOBJLPY-GOSISDBHSA-N 419.890 1.778 30 10 HDEE C#CCN(C(=O)NCCCCC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 781954750 CZDQIVPOWFUCFV-SFHVURJKSA-N 406.504 1.732 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)n1 788811577 ZGUIEHNJTFPOIE-MRXNPFEDSA-N 421.494 1.740 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)n1 789320907 LMVNZEULMDQMCS-UHFFFAOYSA-N 413.434 1.042 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)c1 799928005 MXLHYTMYUSSTFH-LZLYRXPVSA-N 408.524 1.885 30 10 HDEE C#CCN(c1nnc([C@H]2COCCO2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 812357631 RAXMJPPTXHFQHS-GOEBONIOSA-N 422.532 1.103 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1cnc2sc3c(c2c1=O)CCCC3 814700301 ZKCUSKMWENLCNY-UHFFFAOYSA-N 406.493 1.070 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(N=Cc2nccn2S(=O)(=O)N(C)C)C1=O 814746373 WCNMIFNYGHWSBB-QGZVFWFLSA-N 412.516 1.543 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nnc(SCC(=O)c2ccccc2)n1N 1084330855 ALQCSJSVSYRLNJ-UHFFFAOYSA-N 414.495 1.219 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCc1nnc(C(F)(F)F)o1 1084384505 WLSXJOZFCAGWLQ-UHFFFAOYSA-N 400.346 1.838 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)ncc1C#N 1124320528 MMCGYDJHMWGREC-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2noc3c2COCC3)c1 1125120045 RZHZPARPCYDXDA-LTGZKZEYSA-N 404.448 1.812 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1129171769 JVMLBLUATIGBNK-RGCFKVTRSA-N 408.520 1.948 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(CC#N)n2)CC1 1132801517 VOUJATICJXUEST-UHFFFAOYSA-N 403.464 1.792 30 10 HDEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](C)n1cnc(C#N)n1 1133147584 XOLIBXJGLRNFRZ-ZWNOBZJWSA-N 411.340 1.510 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3ccccc3)CC2)c1 1135634774 NYTRPVNWEXSWHJ-UHFFFAOYSA-N 415.446 1.721 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCCC[C@@H]2C(=O)OC)s1 1138138290 STIQOHWVQPKQTO-CQSZACIVSA-N 400.522 1.699 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1153325975 JQWVILGWIKUDFJ-SFHVURJKSA-N 411.506 1.777 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c(OC)c1 1153327467 WEZRMHRQYMOVAE-HXUWFJFHSA-N 417.550 1.715 30 10 HDEE O=C(NCC#CCO)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1155733118 KHDFVIIESYWJSU-UHFFFAOYSA-N 423.834 1.775 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N[C@@H](CC#N)C(F)(F)F 1156052858 HBAQHNLIKKNYDU-NMUGVGKYSA-N 411.302 1.933 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)C1 1163162074 CDNGRAFZEJYWHP-KRWDZBQOSA-N 407.473 1.745 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(Br)s1)NCC#C[C@H]1CCCCO1 1180363314 STGCYWCQHVQKOD-LLVKDONJSA-N 421.338 1.478 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1181000460 OGTJPEWAXIXUHR-HNNXBMFYSA-N 417.466 1.453 30 10 HDEE CCOC(=O)CC1(NS(=O)(=O)c2ccc(Br)c(C#N)c2)COC1 1197328877 GIJIPKMGEPGQOU-UHFFFAOYSA-N 403.254 1.321 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 1215276068 UHRUBQYINQNXKY-ZWKOTPCHSA-N 405.520 1.858 30 10 HDEE N#CCCN1CCN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CC1 1215660238 DRXOWHCJJWFBTB-HNNXBMFYSA-N 406.512 1.183 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c(-c2ccc(C#N)cc2)n1 1233990585 IVMLTBZOIMCKCO-PMACEKPBSA-N 408.506 1.699 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253779307 NYKRKMJYEBJHQN-CVEARBPZSA-N 407.511 1.389 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1286291668 DQNXOFALSVPIMM-PBHICJAKSA-N 412.469 1.565 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286321581 SGHKEIZZYCQGNA-OAHLLOKOSA-N 407.482 1.609 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1286371835 FQLWBNYDWQICDM-LSDHHAIUSA-N 402.499 1.698 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2CC)CC1 1286472204 WBXDJSXPCDBANU-UHFFFAOYSA-N 406.534 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286785473 LNKJBVKJVCHWOX-INIZCTEOSA-N 401.515 1.122 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC(=O)N(C)C)C1 1286805547 QZWIPJRCNFZGAE-INIZCTEOSA-N 413.478 1.586 30 10 HDEE CC(C)c1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287228177 ZGGBHXFXQQEXNQ-ZPHPHTNESA-N 414.510 1.935 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)C1=O 1287718465 XLUDPSSHBIWJJB-GOSISDBHSA-N 412.490 1.524 30 10 HDEE C=CC[S@](=O)(=NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C)c1ccccc1 1289585640 CJJWWHNOYHKDIC-GDLZYMKVSA-N 412.471 1.794 30 10 HDEE CO[C@H]1COCC[C@@H]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1290116243 UICVRALITZOOAE-PBHICJAKSA-N 400.435 1.896 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1292890029 SPBSTXCEXZQIDO-SJORKVTESA-N 420.554 1.210 30 10 HDEE C=CCNC(=O)CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1295642964 AGUGJYWZDCBMEW-MAUKXSAKSA-N 405.495 1.903 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@@H]1CCCO1 1296701378 NVBQMQMHLHTWCH-LGNVQCELSA-N 406.479 1.471 30 10 HDEE C=CCOC[C@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(=O)OC 1297029033 BDKORWCIXPHDAR-IBGZPJMESA-N 402.491 1.718 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1300267557 HIDDJTCYPUMEDF-OAHLLOKOSA-N 417.473 1.725 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCN(c2ccncc2)CC1 1300459725 VXMZDHDRTWKVQB-FQEVSTJZSA-N 423.565 1.849 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1300469063 XDABOMQHAPNMBT-UHFFFAOYSA-N 402.520 1.186 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1301216795 RWZQXSOGBRMSEL-MRXNPFEDSA-N 401.540 1.974 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCN(C)C1 1301417257 QENLPXCOVLUVCK-NRFANRHFSA-N 401.511 1.659 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C1CC1 1302292731 CAXPEWQVQDJNQY-FIKGOQFSSA-N 416.526 1.658 30 10 HDEE N#CCCN1CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 1302596338 IJIGDZHRSWDLNA-OALUTQOASA-N 407.474 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)CC2(C#N)CCC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1308129306 AHRXVEGEFWPLCR-XHSDSOJGSA-N 413.540 1.150 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1316018389 MVAMCWLOTVPRMP-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358951668 GSBJJGSROSTESO-LJQANCHMSA-N 415.563 1.804 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCCN1CCN(CC)CC1 1358975338 MRFKJLHGLDIBON-UHFFFAOYSA-N 405.550 1.831 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC[C@H]1COCCO1 1359025407 NDNTUHYOSGGIDM-SFHVURJKSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](C)N2CCOCC2)CC1 1359033842 SWRJSAOESGQADG-IBGZPJMESA-N 424.549 1.430 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359228436 CVDUVHFBHNNDQA-IAGOWNOFSA-N 416.482 1.847 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1359455943 IJHBLQUFSQPWME-IBGZPJMESA-N 400.414 1.642 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359469841 LRGZERJHPADRTJ-SJCJKPOMSA-N 424.914 1.139 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1435362646 PUZWDYZBOZKRDL-HUUCEWRRSA-N 418.498 1.537 30 10 HDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435679980 HORDQYNUTTZKAS-LXZKKBNFSA-N 419.865 1.744 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCOC4(CC(C(=O)OC)C4)C3)cc2C1=O 1439219172 HQOXNRHGGOSBBZ-HEOKHYPTSA-N 412.442 1.699 30 10 HDEE C[C@H]1CN(c2ccnc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c2)C[C@@H](C)O1 1454630646 CLKUKEPDUFBDGE-OKILXGFUSA-N 411.466 1.379 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCC2(C#N)CCOCC2)ccc1[N+](=O)[O-] 1457113859 ZCTRUDCZLPNLCX-KRWDZBQOSA-N 400.435 1.944 30 10 HDEE N#Cc1ccc(N2CCN(C[C@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)nc1 1459345381 IDJZBOPBYLZAFU-SFHVURJKSA-N 407.474 1.400 30 10 HDEE N#CCCN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)CC1CC1 1459611702 UJRJEYDCPNOZQR-GZTJUZNOSA-N 413.503 1.860 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCCN3CCOCC3)CC2=O)cc1Cl 1464222998 LWHOHBREHKRCJA-MRXNPFEDSA-N 404.898 1.793 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1N 1464268419 IGYOLJUQTHZUJB-UHFFFAOYSA-N 400.504 1.748 30 10 HDEE N#CCN1CCN(C(=O)c2cc(Br)nn2-c2ncccc2Cl)CC1 1465276833 IUBYQJFAQKNSNA-UHFFFAOYSA-N 409.675 1.965 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](O)[C@H](CO)C1 1469080368 ADKVZIQPPREOLH-JSGCOSHPSA-N 413.268 1.300 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nccn2C)C(C)(C)CO)c1 1469485763 RNNAFHKDMMSRBR-INIZCTEOSA-N 406.508 1.374 30 10 HDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C1CCOCC1 1470312324 QMZPBECXIUCPJJ-FQEVSTJZSA-N 404.532 1.778 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2)c(F)c1 1470893907 DYBNPAZFVCYAGC-KRWDZBQOSA-N 414.485 1.819 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1495878094 HOUFHMKOTBPGJG-DOTOQJQBSA-N 415.494 1.948 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOCC1 1505067066 WVOJVBZYROWHAX-OALUTQOASA-N 418.542 1.464 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCN(CC)CC1 1507548412 RROIVLMCWUREPR-UFYCRDLUSA-N 418.586 1.488 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1507592320 SBLXWGBGXYOEJP-FQEVSTJZSA-N 417.517 1.836 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1507593311 YWOKIDRLUNDJQL-OAHLLOKOSA-N 401.540 1.936 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1[C@@H]1C[C@H]1CCC)[C@@H]1CCS(=O)(=O)C1 1507631407 PBLVSZOYIDYTFV-BFYDXBDKSA-N 400.508 1.723 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)NCC)CCC1 1507678075 QWMVRVXTVCJKGA-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1507753724 QYBFUZVIRYZFCC-MRXNPFEDSA-N 401.540 1.221 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1507806368 NDQKSHCCMYQEAF-BJLQDIEVSA-N 411.510 1.850 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1507836182 ZQXGLGLJCYJESN-KRWDZBQOSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1508079836 DQUZFBDOXHENJB-MRXNPFEDSA-N 424.505 1.591 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1508096353 GFDPQTUONKRURG-HZPDHXFCSA-N 404.515 1.317 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1508127292 URGHZDXWRQMFIE-QZTJIDSGSA-N 424.567 1.778 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1508422255 DLVXDUSEYAZHQW-ZPFYTHJMSA-N 421.567 1.717 30 10 HDEE Cc1cccc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)n1 1511154017 FLEYKEGJDXELGJ-SFHVURJKSA-N 409.494 1.579 30 10 HDEE CCc1cnc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)s1 1513721606 PDXOOEAOGHQSRU-VBQJREDUSA-N 418.523 1.798 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@]3(C#N)CCCOC3)CC2)cc1 1517449774 WUSBTDNNVFJFRF-NRFANRHFSA-N 400.479 1.488 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)n2)c1 1536546590 FQSWIMUYSUOBTH-UHFFFAOYSA-N 406.490 1.690 30 10 HDEE CN1CC[C@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@@H](c2cnn(C)c2)C1 1538615839 XLSAWMZUPOHYGJ-ZWKOTPCHSA-N 404.478 1.606 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC1(O)CCOCC1 1539154183 CCYVLDGMJDOQKU-UHFFFAOYSA-N 408.300 1.657 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1539267055 VYAKMGHFQSSTFA-SFHVURJKSA-N 410.474 1.283 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C)N(C)C 1539323999 NXMFYFIRIYHJQC-LJQANCHMSA-N 420.565 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1539332089 FYVKIMPNASNPDK-UHFFFAOYSA-N 418.501 1.521 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(N(C)C)CCCC2)CC1 1539431690 WXKYWPXHKVLXIV-LJQANCHMSA-N 418.586 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539441815 VWGJIDKJXBYTRZ-IERDGZPVSA-N 415.925 1.894 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CC(=O)N1CCOCC1 1539626334 CZAVFUVJCHWRDP-HKUYNNGSSA-N 403.527 1.822 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1540857938 WZUCOGUZQSFPBQ-MSOLQXFVSA-N 416.570 1.927 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](C)C1 1540903361 CBWLENOCKYBQOL-HOTGVXAUSA-N 405.524 1.478 30 10 HDEE Cn1cc(C[C@H](CO)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1557093193 HKSUZWYAAXSQQZ-JWRWLIQVSA-N 417.510 1.227 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)nc2nc(O)nc(O)c12 1557977502 HEYOCFUJBOAIDI-UHFFFAOYSA-N 408.393 1.718 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(O)(c3ncnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1558183003 XHJRTLFFVGPSRL-HXUWFJFHSA-N 417.510 1.418 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(F)(F)F)nn2C)cc1 1558261254 WUCDXWOYLBRJPM-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1558865554 MVCAGWCDMYDQGJ-UHFFFAOYSA-N 418.471 1.923 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCN(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1560077154 BMYRLFHIWSPHNE-PXNSSMCTSA-N 418.563 1.494 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c1 1569162526 MXVXYTHVJBVECN-QAPCUYQASA-N 404.492 1.535 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1sccc1S(=O)(=O)N1CCOCC1)C2 1584864968 CJLVDQMWZNDJJC-UHFFFAOYSA-N 403.485 1.797 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1585082153 KHGHOGSUKUTOKR-SJLPKXTDSA-N 422.445 1.097 30 10 HDEE CC(C)n1ncc2c(C(=O)NCCn3cc(C#N)c(O)nc3=O)cc(C3CC3)nc21 1585292266 GNYQZOMYVBTGRN-UHFFFAOYSA-N 407.434 1.454 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2)C1 1587808189 NSHOVUBGOUFTRT-SJORKVTESA-N 408.572 1.366 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCCCS1(=O)=O 1587999087 QAFUMHBBBQJTHR-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588262788 LCPGONBLMHTUOI-UWJYYQICSA-N 401.511 1.702 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1588385854 KZVLLHTXYMTHPZ-KRWDZBQOSA-N 417.535 1.870 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1588638279 QYOBBHZDMUZPIT-QGZVFWFLSA-N 416.526 1.106 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CC1 1588864788 JZSMUTGJVVGDDF-UHFFFAOYSA-N 404.478 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C 1589215810 DSYSLXDLGRTGOX-OXJNMPFZSA-N 407.584 1.760 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1593752229 DXYXYFFFFOIOEZ-MRXNPFEDSA-N 411.514 1.586 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594497244 DESJBFMTWZOGDJ-HOTGVXAUSA-N 416.526 1.269 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1595522720 IWFBHYPNSYHGAG-SJORKVTESA-N 424.505 1.503 30 10 HDEE C#Cc1ccc(C(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)nc1 1595583422 LCTDRZFMARGTGW-KRWDZBQOSA-N 401.463 1.981 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2C)C1 1595723027 QBZKQGKNPUQTJR-IAGOWNOFSA-N 417.535 1.713 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1612598514 OCFWGEJMEXUQBB-SFHVURJKSA-N 411.485 1.839 30 10 HDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1612813230 AHMZJZZHEPYRJH-YOEHRIQHSA-N 423.477 1.706 30 10 HDEE CCc1nnc(N2CCC[C@@](C)(OC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1613994553 RFIQOYGZNFHIHD-ZGAGMJPPSA-N 402.499 1.762 30 10 HDEE C[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C(N)=O)C1 1617118765 SUXSTCSZYTZDET-MEDUHNTESA-N 405.296 1.869 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1Br 1617488300 WLSBHEMLRDWKCS-LRDDRELGSA-N 424.276 1.096 30 10 HDEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1 1617699362 CCAYTLZFBPBBID-UHFFFAOYSA-N 406.494 1.821 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1618620976 IIOPRDOMVPPMJY-LAPQFRIASA-N 408.499 1.731 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C3CCN(CC)CC3)CC2)n1 1618759418 PFOFZLFRVCSYTK-UHFFFAOYSA-N 415.582 1.688 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1620348084 LBBFLDIEGXIFGI-SCLBCKFNSA-N 417.470 1.361 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@@H]2CCOC2)c1 1620350043 ZZJNLNHMXVYSSG-OAHLLOKOSA-N 401.492 1.478 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CCOCC1 1622581995 CWPULTCZTOGDFX-HNNXBMFYSA-N 402.513 1.114 30 10 HDEE CN1CCn2ncc(C(=O)NCCSCc3ccccc3C#N)c2S1(=O)=O 1624406175 VZVNENFUXJHRPE-UHFFFAOYSA-N 405.505 1.052 30 10 HDEE COCCCn1cc(C)c(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1624461059 BCMJQPCUHRZJNQ-CQSZACIVSA-N 419.507 1.684 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1626806992 ADEMGTMLOLUUTG-HUUCEWRRSA-N 404.410 1.756 30 10 HDEE COc1cc(N2C[C@@H](C(=O)NCc3nc(C#N)cs3)CC2=O)cc(OC)c1OC 1626926129 GPVVHDNCCHKJMX-NSHDSACASA-N 416.459 1.710 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)C1 1627794884 BBUWYOCAXDYHQX-MRXNPFEDSA-N 424.486 1.204 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1628350962 TWJYXHPYCTYHFO-AWEZNQCLSA-N 417.453 1.540 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1629069424 UENANMATZPTCBE-IRXDYDNUSA-N 415.494 1.532 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H](CO)C(=O)OCC)nnc1-c1ccc(Cl)cc1 1630875617 WRNMZRROBGLFDU-AWEZNQCLSA-N 424.910 1.917 30 10 HDEE COc1cc(N)c(C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)cc1S(C)(=O)=O 1633295453 ZZJGMBCHSCGPJI-SFHVURJKSA-N 415.471 1.766 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](N2CCC2)C1 1633495212 ZUICQLSKOSFPTO-MRXNPFEDSA-N 404.536 1.592 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)Cc1cn(C)nn1 1633673061 SGWZRUJSMOOXKI-LLVKDONJSA-N 422.283 1.974 30 10 HDEE C=CCn1cc(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)nn1 1634292350 QROTYZDVFOOWES-UHFFFAOYSA-N 415.255 1.536 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)OC 1634884605 KRRXFDVIIMFVCR-YESZJQIVSA-N 408.495 1.983 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1 1635488541 UCJAKHPDLKXFKO-JPYJTQIMSA-N 402.454 1.984 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](N3CCOCC3)C2)ccc1F 1635845014 LSTZCGYNBXDEPV-MRXNPFEDSA-N 411.499 1.227 30 10 HDEE CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2cccnc21 1636404982 GPKJWMZEAUNQFB-SFHVURJKSA-N 418.457 1.637 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)C(=O)OCC 1636837785 JFIFVNAIWBMKAC-PVAVHDDUSA-N 412.508 1.037 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCc3nnc(-c4ccccc4)o3)C2)c(=O)nc1O 1637506267 TYIBBXCWTFBNMO-UHFFFAOYSA-N 406.402 1.277 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1638430137 FWAMEMIRPOOSKA-LBPRGKRZSA-N 409.936 1.563 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)N2C[C@H](C)O[C@H](C)C2)s1 1640262685 BGXBFUFEZSMXRD-SOUVJXGZSA-N 415.581 1.369 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 1640298452 IWBUJUUHBFHJEA-KTKRTIGZSA-N 407.488 1.703 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)c1 1641786804 BWATWSGBXXGSOX-HNNXBMFYSA-N 416.446 1.811 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 1642511266 BLWOCVQWZVJTSC-NEPJUHHUSA-N 400.357 1.682 30 10 HDEE CN(C[C@@H]1CCCN1C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1643184863 PPERDOJNPFZNSH-INIZCTEOSA-N 406.552 1.838 30 10 HDEE N#Cc1cnn2c(O)cc(CN[C@H]3Cc4ccccc4N(C(=O)C(F)(F)F)C3)nc12 1643753732 ULLPUNPBYGRKJE-AWEZNQCLSA-N 416.363 1.916 30 10 HDEE CCOC(Cn1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)nn1)OCC 1643889270 USLWCZGVSLSDAI-SFHVURJKSA-N 412.494 1.900 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1 1645561261 LFBUXWYFILDKHQ-SUMWQHHRSA-N 407.492 1.463 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1 1645727999 VBSWYRQPXJGJJT-LJQANCHMSA-N 410.455 1.308 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(CC(=O)NC3(C#N)CCC3)CC2)cc1 1646002462 ZVTIWJIPVWHHME-UHFFFAOYSA-N 424.548 1.030 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2)[nH]n1 1647742944 MKDCCDGZGYVTNC-ZDUSSCGKSA-N 405.455 1.709 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2cccc(F)c2[nH]1 1650914171 QSSJDUJQOXPEHH-UHFFFAOYSA-N 401.423 1.447 30 10 HDEE CC(=O)c1oc2cc(C)ccc2c1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653762787 DIHJMPXVCZIETO-UHFFFAOYSA-N 406.398 1.704 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1Cc1ccc(C#N)cc1[N+](=O)[O-] 1654261003 HDENSHMZJBHRSS-IBGZPJMESA-N 406.439 1.554 30 10 HDEE COC1(OC)CCOC[C@@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1654677188 XTMNNDNOPZGNRZ-INIZCTEOSA-N 400.397 1.541 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(OC)c(OC)cc1Br)C(=O)OC 1655605546 GFRMFRLNPBDQHW-SNVBAGLBSA-N 406.254 1.310 30 10 HDEE C#Cc1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(Cl)c1 1664989600 JUJQWUSBDCFUER-YNAXMUEKSA-N 409.895 1.654 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H](c2cc(OC)cc(OC)c2)c2nccn2C)C1 1666153878 ABXCHWNEXPMTQT-YLJYHZDGSA-N 411.506 1.924 30 10 HDEE C=C1CCC(CNC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CC1 1668514427 KYZBUMMXAJMKAI-UHFFFAOYSA-N 422.331 1.957 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCCN2C(=O)NCCn1cnc(C#N)n1 1672542652 PRUQTZXYINFAIQ-IFXJQAMLSA-N 403.487 1.629 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCn3nc(N)cc3C2)cc1 1673398715 PNTFYTKCSFFKEG-UHFFFAOYSA-N 404.496 1.710 30 10 HDEE C=C(C)c1cccc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)c1 1675377355 GVQLTTCTJRPDPG-UHFFFAOYSA-N 418.475 1.950 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)n1 1685441680 VTWQELCESUNEGQ-UHFFFAOYSA-N 403.415 1.917 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1)C1CCOCC1 1687123811 LOMMWQSLTLKUKO-HXUWFJFHSA-N 404.555 1.533 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1689827746 IYPUBTMLDNZBIQ-CHWSQXEVSA-N 410.569 1.608 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689996472 IROGEDTXARHPPF-HNNXBMFYSA-N 423.564 1.531 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H]1COCCO1 1690106542 ZNNBFABWSLFNPE-HXUWFJFHSA-N 414.506 1.975 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCOC2)CC1 1690113990 ZSCBVTHOVMVRSS-DENIHFKCSA-N 417.554 1.501 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690166104 UZGALHSCVNYNPT-QGZVFWFLSA-N 407.503 1.397 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccncc2)CC1 1690524583 OHCNWVDGOPHPHE-LJQANCHMSA-N 424.553 1.459 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCCO)C1CC1 1690545359 PDSISJZOBSFEJL-AEFFLSMTSA-N 423.583 1.182 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@@H]2C1 1690675209 RZNBLJWCKFMDQN-GOSISDBHSA-N 412.542 1.116 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)CN2CCOCC2)C1 1690697320 SRCRVDWXAYSBII-QZTJIDSGSA-N 413.526 1.485 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCSC2)C1 1690710323 QSGWHPCNPJLAKL-YLJYHZDGSA-N 401.536 1.913 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692845682 HKGHEBHHRSAUPK-OXQOHEQNSA-N 414.535 1.829 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1694739654 HPDVGEMSTVMGCV-ZBFHGGJFSA-N 403.531 1.930 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694913110 QGQCPNSMNYPRLR-NFSBEEMKSA-N 400.483 1.892 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1695966967 CMJFOLNFDIGWBY-AWEZNQCLSA-N 400.439 1.573 30 10 HDEE CCOCc1nnc(N2CCS[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696354991 HCHXFTQABTVSQJ-WPCFGXOUSA-N 406.512 1.283 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCC1 1698171223 XLURGBLMGGFUEW-HKUYNNGSSA-N 417.558 1.274 30 10 HDEE C#CCC1(C(=O)NC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2OCC)CCC1 1702572141 DCJOTILOWCGDLS-LXKXAPTBSA-N 400.519 1.583 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](OCCOC)C1 1705531037 WHFYMOMDFJADSV-LJQANCHMSA-N 422.493 1.576 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705531222 CJIROVAATUBYSF-UHFFFAOYSA-N 402.524 1.534 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nc2cc(OC)ccc2n1C 1705546158 CHLQCMVVGQGAHU-JOCHJYFZSA-N 424.505 1.943 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1705551183 IHZRIJZFGLQNGX-SFHVURJKSA-N 424.530 1.543 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(SC)c2)CC1 1705638659 RTOSUJMEZDASFX-INIZCTEOSA-N 411.535 1.150 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)SC)CC1 1705639720 VCQQOJYHVZHNFA-HNNXBMFYSA-N 411.597 1.077 30 10 HDEE Cc1nc(Cc2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)cs1 1707749257 CMHXGOVLBHJFCY-LBPRGKRZSA-N 411.491 1.814 30 10 HDEE C[C@@H]1COCCN1c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1708259285 CJLYZKISNWUCLB-NZKCYVOASA-N 416.482 1.271 30 10 HDEE CCCCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709671826 MGKCXKRGDQLZIG-ZWKOTPCHSA-N 415.542 1.613 30 10 HDEE CCOCc1nnc(N(C)CC2CC(F)(F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710651648 KZYSJHQTWQEXQG-MSUUIHNZSA-N 424.452 1.823 30 10 HDEE CO[C@]1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1711632456 BBZWHSSQOGWGLM-VDGAXYAQSA-N 407.515 1.720 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC[C@H]1COCCO1 1712529878 ISRHNOZFTCXQBD-WMZOPIPTSA-N 407.515 1.938 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 1712711183 DOKXZBLOKLBZIA-QGZVFWFLSA-N 400.508 1.602 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1722290090 VDVHQYXMWPAMGJ-CQSZACIVSA-N 413.507 1.027 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1722317315 SGOMZXZXWGPLNN-QGZVFWFLSA-N 421.567 1.432 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1cccc(C(N)=O)c1 1722343881 KSOPJGJRTUWDDJ-JOCHJYFZSA-N 411.506 1.730 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722370039 KMAKJWZQSWUGSN-ZWKOTPCHSA-N 423.583 1.173 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1Cc1nncn1CC 1722385676 JSGDLZAAUDDXPH-UHFFFAOYSA-N 405.462 1.598 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCOCC1 1722428543 HHEMWOQIKPQTHB-GOSISDBHSA-N 405.543 1.369 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCNC(C)=O)CC1 1722448635 WPRKACIYTUGCJC-GOSISDBHSA-N 416.526 1.012 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1722466862 HIHONBIIQKLRKB-QMTMVMCOSA-N 409.556 1.696 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722697316 HTYOKIMPQLPJEC-QFIPXVFZSA-N 419.489 1.444 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1722739013 RSDPXCQHSJKTPX-INIZCTEOSA-N 424.596 1.952 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1723646279 POBQKLUWRURECJ-OAQYLSRUSA-N 423.477 1.372 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)CN1CCCC1 1723866817 HCTXNCZJDMXYGL-PMPSAXMXSA-N 411.576 1.359 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1728186480 PJBKZDXDAAWMOC-JOCHJYFZSA-N 421.505 1.449 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1730485045 SDZJTGTXKKKPLY-OXJNMPFZSA-N 414.441 1.832 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1730498892 TYMNMUKOESRGQM-ZBFHGGJFSA-N 416.457 1.380 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CC=CCC2)C1 1731009969 GLIBATUSDXZIHL-KRWDZBQOSA-N 412.519 1.865 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3ccc[nH]3)n1CCOCCCO)C2 1731180790 LPYICCXCOMCVGG-UHFFFAOYSA-N 409.450 1.207 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1740639737 FMCLJKKTADSRLN-KRWDZBQOSA-N 412.519 1.150 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(C)c1C 1740757628 QLXJLWMGHRFJOT-IEZWGBDMSA-N 413.526 1.889 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1740858689 XPNRNXQKPYEASC-HUUCEWRRSA-N 422.559 1.715 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1740964463 CNAJVHMFRUUPLL-FTRWYGJKSA-N 407.515 1.236 30 10 HDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1741253248 CNQGNWPYLIKBHR-MRXNPFEDSA-N 403.508 1.601 30 10 HDEE CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741588942 ZNVHOOANYLXEKO-IBGZPJMESA-N 412.542 1.918 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1741657800 GFJDAENUSGBMQY-IFXJQAMLSA-N 400.462 1.632 30 10 HDEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1746498360 GUBLYHQJECICBW-MOPGFXCFSA-N 424.505 1.699 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1746683680 KMQKMNZRQGHHEN-LEWJYISDSA-N 416.526 1.539 30 10 HDEE CCOCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1747238375 AREKEHNXPPYXGG-AUVQNDJMSA-N 420.539 1.671 30 10 HDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747329972 AVYMMSCUGWBCCA-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1748210709 KHFYLIWMYWIKHZ-QGZVFWFLSA-N 410.409 1.548 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1748734382 CLKXZIBCSHPTCA-GOSISDBHSA-N 412.450 1.608 30 10 HDEE COc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)c(OC)n1 1748797498 AXPMUCIQHJHGKB-LJQANCHMSA-N 412.429 1.581 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1748800470 XATFGYLVGAPHGF-UHFFFAOYSA-N 413.869 1.791 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1748802139 LSMFBKAPQLWULU-OAHLLOKOSA-N 419.555 1.423 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1nncn1C 1748829072 SNMASRIZKURTAI-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(COC(C)(C)C)on1 1748844439 RUBFBQQXOWDZGO-KRWDZBQOSA-N 410.478 1.653 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)OCCO2 1748958648 DPUZYBLGUKNLBE-UHFFFAOYSA-N 406.446 1.641 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)N(C)C)CC1 1748998840 BOGMFJFYXPFWGV-UHFFFAOYSA-N 414.485 1.230 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749174686 YIWILYWIXGYGHQ-GOEBONIOSA-N 420.514 1.345 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1749460204 JXVVIXGRDOTGIC-KRWDZBQOSA-N 405.418 1.728 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1749658211 HXUIEQYZVNWGSJ-RTBURBONSA-N 406.490 1.982 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1750378216 FBLLMSLVXGGUGB-LPHOPBHVSA-N 418.498 1.673 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1750570837 WTRXYACXEXBRTC-CYBMUJFWSA-N 401.471 1.516 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1751105570 QNOLBNABVOXFLW-AWEZNQCLSA-N 418.461 1.730 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1760098324 QVVQWYXAHFEZAQ-XHSDSOJGSA-N 405.524 1.814 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1760118003 WQLQZOYRAKHMJD-WDSOQIARSA-N 415.563 1.941 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1760137798 MWUKJMBYSWBMHN-MRXNPFEDSA-N 407.540 1.076 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2C)n1CCNS(=O)(=O)Cc1ccon1 1760169624 VOJDVMSRXKGOQQ-UHFFFAOYSA-N 414.491 1.431 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCC(=O)NCc1ccccc1 1760193588 JLLPEWUKZGQIAB-UHFFFAOYSA-N 406.490 1.196 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760203754 PDZXSFXHMVCSPM-MOPGFXCFSA-N 417.579 1.754 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)nn1C 1760230217 VVZWCHYAYXVBRB-UHFFFAOYSA-N 402.466 1.471 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nncn2C)CC1 1760262643 UOVUIAXVIZDCLX-UHFFFAOYSA-N 410.913 1.454 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760360522 FGQZQMXKUVFZCY-APWZRJJASA-N 410.540 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760529065 WEGTWFZJUPFUBF-MRXNPFEDSA-N 404.515 1.173 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1760677701 TYNQUBISHYUIKU-SFHVURJKSA-N 407.478 1.154 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C(=O)NC)n1Cc1ccc(C#N)o1 1762186351 LSPDAMRDDDDIHO-CYBMUJFWSA-N 415.498 1.528 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@](C)(C#N)C2)n1 1769084981 SRZVFFGHTCXVOU-LJQANCHMSA-N 413.436 1.849 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1769530946 VCUXVAXJFVNPTM-QFIPXVFZSA-N 424.505 1.870 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769914401 HMVWOXQEIVBAAW-HOTGVXAUSA-N 400.483 1.452 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C)n1 1770049609 DSFWEFUEYMUPDW-FUHWJXTLSA-N 400.483 1.677 30 10 HDEE C=CCN(C(=O)CN(C)c1ncc2c(n1)-c1ccccc1OC2)[C@H]1CCN(C)C1=O 1851403013 RIZGMBUJPBUXFT-KRWDZBQOSA-N 407.474 1.718 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cn(C)nc3C(F)(F)F)c(C#N)cc2C#N)CC1 1851664632 PZRJDVSBFLPLGI-UHFFFAOYSA-N 418.383 1.581 30 10 HDEE C[C@@H]1Oc2ccccc2N(CC(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)C1=O 1852041414 XVKRSMKQBZTXEF-JTQLQIEISA-N 419.381 1.671 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3c(F)c(F)nc(F)c3F)CC2)nc1 1852235591 ULVBNWBYJJFWNR-UHFFFAOYSA-N 409.343 1.884 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cn(C)nn2)c2ccccc2OC)CC1 1853517017 UYKKXJZNRAHKFC-UHFFFAOYSA-N 405.480 1.730 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C4CC(F)(F)C4)C3=O)CC2)CC1 1853751917 PXAWEFIPOQYASA-QGZVFWFLSA-N 422.476 1.633 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCOC4)C(=O)C3)C2)c(F)c1 1854195243 CCRGNMIOJNBPHD-RTBURBONSA-N 414.481 1.369 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C(=O)[C@H]1C 1854820017 APNOLBHXXRLPME-MRXNPFEDSA-N 407.536 1.966 30 10 HDEE COc1ccc(OCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)c(OC)n1 1855837570 LKLHPFRTINNVQI-OAHLLOKOSA-N 402.451 1.088 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)C1(C)C 1856398522 GRKKYQUAKBDCEW-OAHLLOKOSA-N 424.523 1.080 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1856540679 PHHKJIKCFMMACN-FUHWJXTLSA-N 415.515 1.604 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(Cc4ccccn4)CC3)CC2=O)ccn1 1856746339 JCJTUPXKHZVPLG-KRWDZBQOSA-N 404.474 1.155 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccncn1 1857011804 OHBKJBJBBSDARB-OAHLLOKOSA-N 412.471 1.935 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)ccn1 1857439148 GIMJOFHGCORRPG-IAGOWNOFSA-N 410.409 1.167 30 10 HDEE C=CCN=c1cc(-c2cc3cnccc3c(N[C@@H](CCC(N)=O)C(=O)O)n2)cc[nH]1 1857822991 LCIDMLOASQCXLV-INIZCTEOSA-N 406.446 1.842 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCO2)cc1 1858981729 FUNVDKCHQSRSDA-SFHVURJKSA-N 421.519 1.597 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccccc1I 1861018307 ZQFYBPLGPUHJHQ-GWCFXTLKSA-N 400.216 1.169 30 10 HDEE N#Cc1cnn(-c2ccccc2F)c1NC(=O)CN1C(=O)COc2ccccc2C1=O 1866041601 YNMRMMSSWKMDJI-UHFFFAOYSA-N 419.372 1.883 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3CCC(=O)N3)sc2c1 1866196769 KIMNKKOPVWVPQP-AWEZNQCLSA-N 420.516 1.876 30 10 HDEE N#Cc1ccc(COc2cn(CCCn3ccnc3)c(CN3CC(O)C3)cc2=O)cc1 1870350354 BJFGNZVFXUWMSP-UHFFFAOYSA-N 419.485 1.762 30 10 HDEE C=CCN=c1nc(N(CCC)CCC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632461 NGRRAPNUCBZNPS-UHFFFAOYSA-N 409.494 1.909 30 10 HDEE C=CCn1c(C(=O)N(CC)CCCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873562351 YWHLJJBFJOAWJC-UHFFFAOYSA-N 414.554 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 1986135880 GERAPSMMYUPVBL-FQEVSTJZSA-N 410.320 1.909 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074702774 RJGQVBZWQVKQDB-OLRZCDJHSA-N 408.476 1.315 30 10 HDEE Cn1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)nc1Br 2102373354 GMSXTBLQFYSOEI-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2118167202 AMCAPXSKFNQCIW-VDBVYFBLSA-N 406.530 1.041 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N(CC#N)CC(F)(F)F 2124620714 KEIDYBISYCPGCO-SNVBAGLBSA-N 401.407 1.229 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CC(C#N)C2)C[C@H]1C(F)(F)F 2174787208 ROHVJVMDESZLQS-NWDGAFQWSA-N 412.434 1.322 30 10 HDEE N#Cc1ccc(Cl)cc1S(=O)(=O)NC[C@H]1CNCCN1Cc1ccccc1 2205555512 PKAHKXXPEZBNDA-GOSISDBHSA-N 404.923 1.964 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247251758 ZIGXLRDPWKSEOC-AWEZNQCLSA-N 422.287 1.826 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@@H]1CN(Cc1ccccc1)C2 2255698054 MTIUSIMFDABZTO-OPAMFIHVSA-N 423.326 1.119 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258159081 BNQDKKGRYZVYEX-GDBMZVCRSA-N 409.464 1.321 30 10 HDEE CO[C@H]1C[C@H](CN)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282055329 CMDCKJBYTISJOH-MNOVXSKESA-N 400.737 1.889 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](N)C1 2282317628 ULJJIYIEBVDBQX-CHWSQXEVSA-N 400.375 1.904 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCOCC(F)F 2282323673 FNHROVCXCWVUSZ-UHFFFAOYSA-N 411.301 1.916 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@](C)(O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282324237 MLLOUOWZHAQPST-QGZVFWFLSA-N 401.359 1.795 30 10 HDEE CO[C@H](CCO)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325159 AEEUMNLFNODERC-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](CN)C1 2282332318 ZDXOOHNTJWJQQE-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CN1CCC[C@]1(C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282336012 XHRJGRDFASUELT-QGZVFWFLSA-N 400.375 1.810 30 10 HDEE CCC[C@@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCNC1 2282336114 YSXUWJPRIKXZAR-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CN(CC(C)(C)N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282414564 UWFTUXWMAIADNA-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2COCC2(F)F)OC1(C)C 2282498723 IKJSKPAICCYXRB-NSHDSACASA-N 409.285 1.501 30 10 HDEE C[C@@H](O)[C@@H]1CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503335 YOYHLDPVJSJVEW-ABAIWWIYSA-N 401.721 1.783 30 10 HDEE C[C@H](O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282510624 BFRIXBNNHJQBNK-NSHDSACASA-N 401.721 1.641 30 10 HDEE Cn1ncc(C(=O)N[C@H]2CCCC3(CC2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282571786 FESKZPMOZOCWRE-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2282572623 NSFZXSBLMWYKFF-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]2N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282834135 PTQZBMYHUMNNCL-OLZOCXBDSA-N 400.375 1.727 30 10 HDEE CSC[C@@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282835894 BWOQFTCWXCMAIF-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(N)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282841365 NQFVZPNVVMIIEI-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CC[C@@H](CCN)C3)c2)OC1(C)C 2282848086 IUYKLOJYYIDMSG-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE CN(C[C@@H]1OCC[C@@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866028 CCVIBEMRYBNQCR-STQMWFEESA-N 405.322 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284396976 HCKDIVJOZJRRFJ-KOLCDFICSA-N 407.294 1.445 30 10 HDEE CN(C(C)(C)CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284401704 CQARXOKWSIZPRG-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(O)CSC3)c(Cl)cc2F)OC1(C)C 2285971903 ANMLBGQMEGSZLQ-UHFFFAOYSA-N 401.696 1.986 30 10 HDEE C[C@@H](O)CN(C1CCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2288010360 LRTGPFCAAVWCQK-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC(C)(C#CC1(OCC(=O)O)CC(NC(=O)OCc2ccccc2)C1)S(C)(=O)=O 2339701328 UAHRAKRWSUQVMA-UHFFFAOYSA-N 423.487 1.742 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2342074790 QSFNWMWJOMUYOW-IDYZSHNDSA-N 420.531 1.365 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@H](O)c1cc(I)nn1C 2361378059 FFKLTRUGHXGZQI-GWCFXTLKSA-N 405.305 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365206108 FLPMIQGOGPWNFI-VCBZYWHSSA-N 400.541 1.556 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2365213547 VFNSTTUNQLHZLT-LVQVYYBASA-N 400.541 1.283 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 2367818813 NUSDIIQDVAADNW-CVEARBPZSA-N 400.541 1.163 30 10 HDEE N[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@H](O)c1c(Br)cncc1Br 2368319169 OTYUCMFJIDUDOM-QOEFSOACSA-N 402.086 1.863 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369516418 PVTCMUHGALIKIU-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1 227170170 KIJVPHQMUYAIMG-LECRGTDLSA-N 404.555 1.877 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CN2CCN(c3ccccc3F)C2=O)C1 238815150 BGTQBUKKUCMFEZ-HNNXBMFYSA-N 424.436 1.799 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)C(C)(C)S(C)(=O)=O 404980109 HOXPNLAKWVHGCY-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CCOC(=O)[C@H](Cc1ccccn1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 429253862 CMRQINOIINMWNZ-SFHVURJKSA-N 415.471 1.159 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C1CCN(Cc2nccn2C)CC1 461305488 GSXJNORYLSAQHN-UHFFFAOYSA-N 404.478 2.032 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cn1 462090853 QXZZHAFWSPJZAT-WRFANHODSA-N 417.429 1.068 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1 466107165 LQTKQKCEDSIMPA-UHFFFAOYSA-N 413.522 1.713 30 10 HDEE CCN1CCN(CCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 469052020 OBBFMXHUITZALR-SFHVURJKSA-N 401.536 1.426 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 469537422 JUJAMXXTURYYQV-TZMCWYRMSA-N 411.300 1.878 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(CCC(=O)N(C)C)CC2)ccc1Cl 473060151 PBTQYCGGZWDVOB-UHFFFAOYSA-N 419.957 1.991 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)C(C)C 480542528 PJXJWTSLFVUMRJ-ROUUACIJSA-N 400.589 1.750 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 481797829 RSMUIDIWRFZABV-SNVBAGLBSA-N 419.513 1.866 30 10 HDEE COc1cc(CN2CC[C@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc(OC)c1 489560779 ADDCSNHGLCYDTD-KRWDZBQOSA-N 416.503 1.832 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 490481161 SHBQZFCAGPFNTK-UHFFFAOYSA-N 413.503 1.422 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 514916384 LVOOPOKRHDWVBD-INIZCTEOSA-N 413.499 1.244 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1 522596914 NNDWUABILISNIG-UHFFFAOYSA-N 416.566 1.156 30 10 HDEE Cc1ccc2c(n1)OCCN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 540443683 HAAAQQVFJJZORZ-INIZCTEOSA-N 405.414 1.892 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 549274341 MXZGPFHQLKUGBA-LSDHHAIUSA-N 410.540 1.924 30 10 HDEE Cc1cc(C#N)nc(Oc2ccc(C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)n1 557599211 WGUSOCUUUZLWGL-UHFFFAOYSA-N 401.448 1.166 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 561683376 FKUBWFWLYNOHEF-SFHVURJKSA-N 402.407 1.333 30 10 HDEE COc1cc2c(cc1OC)CCN(CCS(=O)(=O)c1ccc(C#N)cn1)CC2 582509525 IEQPBJFDKROJHX-UHFFFAOYSA-N 401.488 1.845 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)c1 584552385 YPJABRREIWNJQT-KZNAEPCWSA-N 404.492 1.496 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(F)c1 585710717 LLABVLJUORXLBV-UHFFFAOYSA-N 410.327 1.966 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)CC2 588293827 BIMJUYKEDNJVGU-ZDUSSCGKSA-N 415.475 1.539 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 603732776 DRUJZTZIRLOUDS-AWEZNQCLSA-N 420.512 1.754 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2)nc1 609471343 UBCBXHDWKISACZ-KRWDZBQOSA-N 424.480 1.705 30 10 HDEE CCc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)no1 610808932 HHFJYYVXKSSBSE-CJNGLKHVSA-N 417.491 1.924 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C(=O)C12CCCCC2 612623718 DDDYKPSUYGGHLY-LJQANCHMSA-N 423.517 1.992 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC 619511501 GPOBLSQEMJBDFD-QGZVFWFLSA-N 413.478 1.038 30 10 HDEE Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 725796826 YMCYFUFDLMZSCN-UHFFFAOYSA-N 415.501 1.689 30 10 HDEE CCOC(=O)N(C)c1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732425098 BOSZGYBHVYITIB-MSUUIHNZSA-N 401.423 1.927 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732464867 BRFHCQCYOTYWEY-NHWLHPCLSA-N 405.499 1.239 30 10 HDEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@@H](N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732668926 LIMZGSAZNDBUGW-WMLDXEAASA-N 402.882 1.961 30 10 HDEE CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732705884 ILHCWXXFMLSGDZ-CQSZACIVSA-N 409.412 1.909 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnc(Sc3ccccn3)c2)CCN1C1CC1 737200171 YOMMEWYGGRYBET-INIZCTEOSA-N 408.487 1.765 30 10 HDEE COCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(C)C)c2=O)cn1 743729124 WXDSPJBZFWYQCW-UHFFFAOYSA-N 414.531 1.281 30 10 HDEE C[C@@H]1N(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCC12CCOCC2 756833234 LXUUAKNGTWFZSR-CABCVRRESA-N 405.520 1.921 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cncc3ccccc23)c1=O 758061124 VEOKMFFTSSSAQN-UHFFFAOYSA-N 416.506 1.366 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCCO2)c1=O 758066779 GCZJLBFJWBFAHF-KRWDZBQOSA-N 410.455 1.722 30 10 HDEE CCNC(=O)C1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 764080483 WNPUSFYHLTVHFD-PGMHBOJBSA-N 407.496 1.099 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2nn(C)cc2[N+](=O)[O-])cc1 765123102 IIZOCJBVMOMNAX-XMHGGMMESA-N 406.424 1.393 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(c2nccn3cnnc23)[C@@H](C)C1 771170309 GNPFQARQUZDNRF-HNNXBMFYSA-N 414.477 1.731 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1nnc2ccccn12)C(C)C)c1cc[nH]n1 772177492 WVTFXPIJMBQTOX-MRXNPFEDSA-N 413.438 1.250 30 10 HDEE CC(C)[C@@H]1C[C@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772493940 FVRMGIKGSXZWCU-DLBZAZTESA-N 419.503 1.226 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]2(C1)OCc1ccccc12 774108801 DVAMPJHDWSCIAR-OAQYLSRUSA-N 411.483 1.773 30 10 HDEE C=CCOCCNC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 780030027 SYZDYYRUFJUYOS-KRWDZBQOSA-N 410.268 1.535 30 10 HDEE CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780205182 LUKFZVHMFWWNMP-HXUWFJFHSA-N 415.490 1.536 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 780892373 GOLNEAXNHRBENQ-JOCHJYFZSA-N 404.470 1.325 30 10 HDEE C[C@H](OC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)NC1(C#N)CCC1 787676413 BRGLDZYETBZRIF-STQMWFEESA-N 411.505 1.395 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)n1 788695509 QVIYMQUYTRDOCK-UHFFFAOYSA-N 416.503 1.263 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(CNC(=O)C(F)(F)F)CC2)cc1C#N 799021912 UICZFRAJBHZMOI-UHFFFAOYSA-N 402.398 1.911 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N(c2ccc(F)cc2)[C@@H]2C=CS(=O)(=O)C2)c1 803847430 FECUQXQBZDNPRS-MRXNPFEDSA-N 415.402 1.593 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CCN1C(=O)OC(C)(C)C 804160217 SMXLWSMRIVVORB-CYBMUJFWSA-N 404.442 1.781 30 10 HDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CC)[C@H]1CCS(=O)(=O)C1 812039241 MIYKKAGVTQAKFM-YOEHRIQHSA-N 402.476 1.437 30 10 HDEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2N)o1 1084193463 YXCDPZRASZVEQS-UHFFFAOYSA-N 416.423 1.978 30 10 HDEE Nn1c(NN=Cc2cccc(O)c2)nnc1SCC(=O)NCc1ccc(F)cc1 1084503935 APPZJTCPOAQFRN-UHFFFAOYSA-N 415.454 1.691 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n(CCC#N)n1 1125418813 SUPKWFOSKDYWJL-CQSZACIVSA-N 404.471 1.512 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2cc(=O)n(CC(C)C)[nH]2)c1 1125418888 NAKSTAMKUNXWKE-UHFFFAOYSA-N 424.501 1.248 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)CC3(C#N)CCOCC3)C2=O)c1 1126909691 SPYNNOWOJIXDCJ-SFHVURJKSA-N 401.463 1.978 30 10 HDEE C=CCN(C(=O)CN1CCCCC(=O)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 1128111950 OXSMSTLQRDHXOI-SFHVURJKSA-N 400.475 1.757 30 10 HDEE C=CCN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[C@H](Cc1ccccc1)C(=O)OCC 1128112435 TWIPABQEPZEAJC-YHSXXIMFSA-N 413.470 1.896 30 10 HDEE C#C[C@H](NC(=O)CN1CCC[C@@H](C(=O)OC)C1=O)c1ccc(Br)cc1 1129610055 DFHYKRIPTZXPKQ-CABCVRRESA-N 407.264 1.651 30 10 HDEE CCOC(=O)[C@@H](CCCC(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133385505 AJGYFVVZQNYADM-OAHLLOKOSA-N 409.508 1.599 30 10 HDEE COC(=O)c1n[nH]cc1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1138321020 OKJTYBDCGUAAJF-UHFFFAOYSA-N 404.224 1.905 30 10 HDEE CCOC(=O)[C@@H](CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)C(C)=O 1143401951 CEQHHTKVGOVHCR-SFHVURJKSA-N 408.458 1.913 30 10 HDEE C#CC1(O)CN(C(=O)C2(S(=O)(=O)c3ccc(Br)cc3)CCCC2)C1 1158398372 ONBKXFPLQCYQKY-UHFFFAOYSA-N 412.305 1.742 30 10 HDEE CC(C)(C)OC(=O)CCN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCOCC1 1163317285 UNRSXOCNRXLVBY-FMQUCBEESA-N 421.494 1.642 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1 1177366893 DPOIFUZZNIKEGU-QGZVFWFLSA-N 406.442 1.524 30 10 HDEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 1195294884 BHLWVTSHMBVRTI-QFBILLFUSA-N 410.561 1.611 30 10 HDEE C#CCN(C(=O)NCC1(N(C)Cc2ccccc2)CCC1)[C@H]1CCS(=O)(=O)C1 1228525703 FWZNTFXSQCOTNR-IBGZPJMESA-N 403.548 1.873 30 10 HDEE CN1C(=O)[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)Cc2ccccc21 1252916255 KVZJGYWEWPZHFH-VQTJNVASSA-N 403.486 1.994 30 10 HDEE C[C@@H](CC#N)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 1264245503 XDMKETQMKMFWEL-HNNXBMFYSA-N 422.507 1.032 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1286290627 UFKRXEMGRDDCKO-GJZGRUSLSA-N 400.483 1.184 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1286293150 MICAOFQIICFVQF-UONOGXRCSA-N 400.449 1.961 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@@]2(O)CCOC2)c1 1286309150 HPDQFAOVQMOGHZ-QFIPXVFZSA-N 409.490 1.753 30 10 HDEE C#CCCCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286335442 QHNXNVPNYGLKAH-SFTDATJTSA-N 404.511 1.729 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CC=CCO1 1286412537 BQBDOZXIXILDLO-HXUWFJFHSA-N 417.517 1.870 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1286496150 OMXCHHLEOYCOIV-PBHICJAKSA-N 410.569 1.385 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1286753705 GYXLXBOHCFTIOP-QWHCGFSZSA-N 405.471 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286821042 YXPIFLNUEHEMDH-HZPDHXFCSA-N 423.583 1.715 30 10 HDEE CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(C#N)o1 1292892608 IUUKLUPMLSSOQL-GJZGRUSLSA-N 400.483 1.721 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1OC 1293084101 NGJQPPCAMKNDLT-CQSZACIVSA-N 405.451 1.757 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](CN4CCOCC4)C3)CC2=O)cc1Cl 1294090416 DUGFQUBDQYGGGO-DOTOQJQBSA-N 416.909 1.745 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)C(=O)OC 1297030304 UTERCLZSTWRZJL-KRWDZBQOSA-N 419.478 1.849 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1299163282 BPAXBCWHCACOGE-GOSISDBHSA-N 421.505 1.448 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C#N)CC1 1299302476 VALNAUCFMJLWQD-UHFFFAOYSA-N 409.903 1.283 30 10 HDEE CO[C@]1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1299816896 FTFYCSXTUGTMMM-MOPGFXCFSA-N 403.462 1.387 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1300272471 MRSIWLPZOWUCHL-HOCLYGCPSA-N 407.544 1.250 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1300504001 HYZOGYYHBWGAFA-HNNXBMFYSA-N 423.564 1.509 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1(N2CCCC2)CCOCC1 1300579178 SDZVZZSAUIOOHQ-FQEVSTJZSA-N 411.550 1.890 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1301219796 KDJHRHFVFWPATF-INIZCTEOSA-N 421.461 1.701 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C(=O)[C@H](O)c3ccc(C#N)cc3)CCO2)cc1 1301368322 AFRRGWVNRSKBIU-RBUKOAKNSA-N 400.456 1.595 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1Cc2ccccc2O1 1302100211 XDPVNLKSIGLQEL-BPQIPLTHSA-N 413.478 1.735 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)nc2)CC1 1303000519 HKMOHWRCTCKIDM-UHFFFAOYSA-N 402.462 1.546 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1303932900 BMXSNXDNNHTWOO-FOIQADDNSA-N 413.457 1.972 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1304856324 NJRTUWKHLSIEMS-QGZVFWFLSA-N 410.526 1.148 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)cc1 1310130487 DJFIGDYIOKJGBR-QLFBSQMISA-N 408.524 1.965 30 10 HDEE C=C(Br)CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1311757512 RELVHZFFEOOTPD-LLVKDONJSA-N 417.304 1.414 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1313290939 HAWZNFBPQYTCFH-OALUTQOASA-N 419.570 1.421 30 10 HDEE COCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1316267820 YUDYYRUEQZTGPX-MAUKXSAKSA-N 415.450 1.182 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cccnc3)n1CCOCCCO)C2 1316532052 SLRYYDIJINEDHW-UHFFFAOYSA-N 421.461 1.274 30 10 HDEE C#CCO[C@H](C)C(=O)NCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 1352672886 YIFUFENBLWJWER-HMHNVIDESA-N 402.428 1.606 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc(C(N)=O)o2)c1 1354741901 WRYUDRBINTUACS-WFYDHWLWSA-N 416.459 1.843 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(OC(F)F)c1 1359024298 KEXXZDAGAGMZAN-OAHLLOKOSA-N 407.421 1.913 30 10 HDEE C=CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1359221329 YANPBPAXZMJRPV-WOJBJXKFSA-N 424.567 1.911 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CN(C)C2=O)C1 1359327033 PWCPCVLNZMSEAJ-NWZZKEMCSA-N 419.526 1.262 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1359365387 AGLYOGUWBJPUQV-LJQANCHMSA-N 400.462 1.379 30 10 HDEE N#C[C@@]1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCCOC1 1436147524 WKNGMTVZONVOKS-UWJYYQICSA-N 403.454 1.280 30 10 HDEE N#C[C@@]12CN(C(=O)CCNC(=O)c3ccc4ccccc4c3)C[C@H]1CS(=O)(=O)C2 1439613858 TVODPFLJQCIFEZ-RXVVDRJESA-N 411.483 1.356 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)n[nH]2)c1C 1444485141 IQZNMWMQEOQXRY-OAHLLOKOSA-N 409.537 1.636 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 1450329320 QRYAJEZTAZOXMJ-VDZJLULYSA-N 408.520 1.549 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1452926354 AKUYMRSIBNIZHO-HNNXBMFYSA-N 408.495 1.677 30 10 HDEE COC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1453324606 UDTZKUUGIQMEEI-INIZCTEOSA-N 409.508 1.063 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@H](O)C(C)C)c1cc[nH]n1 1454028738 KYENUPNBROHDME-IEBWSBKVSA-N 402.451 1.568 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C 1456748180 HSUKEKBOCDXCNE-INIZCTEOSA-N 405.451 1.656 30 10 HDEE CC(C)O[C@@]1(CS(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCOC1 1462727576 AYULXWDIWZNNGC-FQEVSTJZSA-N 407.536 1.590 30 10 HDEE C#CC1CCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CC1 1463949654 QQHABUZLVPWGGR-UHFFFAOYSA-N 412.309 1.673 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc(=O)n(C)cn2)cc1 1464340069 IYUXXINQRYYJRQ-OQKWZONESA-N 417.491 1.626 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1464376536 AURZZPAFQJKVJG-IRXDYDNUSA-N 400.541 1.985 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCCN(C[C@H]3CCCO3)CC2)c1 1464495100 PBVUNDWHUFXFKP-OAHLLOKOSA-N 409.483 1.450 30 10 HDEE CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)O1 1466486209 KDCXOGSKHBYZSF-DLBZAZTESA-N 407.511 1.389 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](OCCO)C3)C2)C1 1466896968 COIGACFUGBOKJR-NHUHVJRWSA-N 407.511 1.773 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 1468513062 SMRUFNBXGYYBLL-MRXNPFEDSA-N 407.312 1.576 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)N2CCc3c(CC#N)cccc3C2)CC1 1469738664 FAJMSBIPNIPNLZ-UHFFFAOYSA-N 404.536 1.882 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)NC2CCN(S(N)(=O)=O)CC2)c1 1470606658 PLLXPGNIJFSIAP-UHFFFAOYSA-N 414.487 1.535 30 10 HDEE N#Cc1cnn(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Br)c1N 1470612798 VQVPINWNYQHINM-UHFFFAOYSA-N 424.280 1.572 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](N2CCN(C(=O)CC#N)CC2)[C@@H](O)c2ccccc21 1473482604 BRXUOBPGPSKTEK-MJGOQNOKSA-N 400.479 1.902 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1474942309 BYJTYCVMAOTKSD-HNNXBMFYSA-N 417.528 1.838 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)CC1 1475641784 UQGZEQJTEYFVCU-HDJSIYSDSA-N 404.579 1.700 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2C)CC1 1476250309 MAUIFQDUECHGCJ-UHFFFAOYSA-N 404.414 1.631 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1478822934 KDPMWIDBSHXPPC-OAHLLOKOSA-N 405.474 1.066 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1479620970 QGNZRMBRRUMGER-JKSUJKDBSA-N 402.461 1.916 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cc1 1497971463 GPJVPHHYEQFKQA-FXAWDEMLSA-N 410.522 1.957 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnnn1C 1498107471 ADSYJTODKFLOAN-QGZVFWFLSA-N 408.466 1.325 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C(=O)NC)CC1 1507575480 FOYIVVVIKSHQEI-UHFFFAOYSA-N 412.494 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CC1 1507671626 MHZFOOZULBNWDM-UHFFFAOYSA-N 417.560 1.674 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nc(C(C)C)cs2)CC1 1507723801 VCMONJZTIYYIHJ-HNNXBMFYSA-N 413.551 1.613 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(CCC)C2)CC1 1507724394 OISNSQVJEOEKAY-OAQYLSRUSA-N 407.566 1.751 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1 1507797269 COYCSWVKLIXBFF-WMZOPIPTSA-N 413.526 1.726 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507829673 INQFDHLCLWUUOM-HOTGVXAUSA-N 401.515 1.388 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507920157 TUNKMDFLQQVZDH-HNNXBMFYSA-N 402.499 1.644 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1508012464 FJTABRPRNGNTLV-UHFFFAOYSA-N 402.543 1.803 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CCO1 1508376592 OBKLIQXXFXSAQH-PXNSSMCTSA-N 424.505 1.585 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1510127625 AMKRRXJKZOKVLE-GFCCVEGCSA-N 401.452 1.117 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CC(F)(F)CO1 1510154607 XHWFBGXUZNDXSF-GRYCIOLGSA-N 406.459 1.051 30 10 HDEE Cc1nnc(N2CCC[C@H](OC(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1511869021 JQUWNTMSEDDRFN-DVEDPGPFSA-N 402.499 1.897 30 10 HDEE CCOCCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1516763317 UVPGLWHGDJELTC-UHFFFAOYSA-N 421.505 1.935 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(c3ccccn3)=NO2)c1 1528412328 MZSCZKKKXJCHTK-NRFANRHFSA-N 418.453 1.448 30 10 HDEE Cc1c(C#N)c(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)nn1C 1529920955 WUUWRIILXUDYPM-UHFFFAOYSA-N 411.281 1.916 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1534228289 RGWAALUHFITIGB-LLVKDONJSA-N 416.297 1.097 30 10 HDEE C#CC[C@]1(C(=O)NC[C@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1535921996 DGLVSTCZHNRZAU-WOJBJXKFSA-N 407.467 1.117 30 10 HDEE CCOCCCN(C[C@@H](C)C(=O)OC)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1538346953 WNDMHKWUKLULEU-AEFFLSMTSA-N 415.490 1.975 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C#N)c(Cl)n3)cn2)C[C@@H](C)O1 1538507199 CHVVMNXPJSDYEM-TXEJJXNPSA-N 402.842 1.691 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1538976404 LNRJCMULVWWNJP-SQGPQFPESA-N 404.511 1.931 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@]2(O)CCN(C)C2)c1 1539043335 OVMXHEVGOZQEEI-QHCPKHFHSA-N 424.549 1.599 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1539221842 RIDJYFMGPXYDPP-SFHVURJKSA-N 416.551 1.768 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1(C(=O)N(C)C)CCCC1 1539272242 WBMJZXNOKROPDG-UHFFFAOYSA-N 404.518 1.985 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 1540037358 JAXXHVCNCVQMSL-UHFFFAOYSA-N 411.514 1.506 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1540200625 FOOWTCCXEZXETH-ZIAGYGMSSA-N 420.482 1.243 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1540862100 QXLZKJYLUASWKN-MRXNPFEDSA-N 414.485 1.852 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C)C1 1540875001 YOAVFWUNFHSNHC-AWEZNQCLSA-N 402.524 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN2CCCS2(=O)=O)C1 1540888414 PCFXWEJSNFFEBD-GOSISDBHSA-N 417.535 1.762 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1540914547 APLRDCGNQNIKAN-GOEBONIOSA-N 401.540 1.876 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cnn1CCC#N 1546033785 GVAVVMBDNOTXNQ-GOSISDBHSA-N 414.897 1.743 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1555484823 YHJLMXUXQVHORW-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)n(C)c1 1557719349 XRRQHYRKXJSCKA-UHFFFAOYSA-N 415.519 1.864 30 10 HDEE CN1CCC(CNS(=O)(=O)c2ccc(C#N)cc2Cl)(N2CCOCC2)CC1 1561651893 AXGOHMWTBPDANC-UHFFFAOYSA-N 412.943 1.287 30 10 HDEE C#CCN(C(C)C)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1561951761 FNTOBUBVPZNTHS-UHFFFAOYSA-N 400.298 1.672 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2ccc(C(N)=O)c(Cl)n2)cc(OC)c1OC 1584303171 WVBLXBMSGRUSDH-LBPRGKRZSA-N 404.810 1.854 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1584578051 DUXYXSRQPKOTNU-KRWDZBQOSA-N 417.514 1.376 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1587568384 PRTJLWIICIQKIB-DXIQSLLYSA-N 419.570 1.745 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(N(CC)CC)nc1)[C@@H]1CCS(=O)(=O)C1 1588035608 VZRVVDZVZNBFOA-GOSISDBHSA-N 416.551 1.503 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1588058837 DIGFCKREBYXZLY-ZDUSSCGKSA-N 422.580 1.665 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1588228706 KGTNRUGDVTULGE-SJORKVTESA-N 404.536 1.458 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1588265516 CBUBABACQYJERZ-INIZCTEOSA-N 415.469 1.876 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@](C)=O)cc1 1588434099 VSBQJSXYSQNFDZ-LJAQVGFWSA-N 413.547 1.787 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCCC1 1588647332 UWONSNUSBNKRDG-GOSISDBHSA-N 423.583 1.142 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)C2CCCCC2)CC1 1588811863 NDCJBGIZJXDIFM-XMSQKQJNSA-N 401.555 1.869 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1589042598 HQOLFYUAKYUGDQ-UHFFFAOYSA-N 408.535 1.767 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1594014869 WXGQQKKUFXXCDW-CVEARBPZSA-N 422.555 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)OCC)nc2)s1 1595520599 LCKSCQYINXACMW-UHFFFAOYSA-N 409.489 1.965 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1595537698 WJJSZXANOQADNC-WMZOPIPTSA-N 402.543 1.395 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1 1597198589 DQVOKDCKWUFHQZ-KRWDZBQOSA-N 407.488 1.670 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NCC3(C#N)CCOCC3)cc2[N+](=O)[O-])CC1 1607172066 ARJSGQFTAKXVHL-UHFFFAOYSA-N 415.450 1.313 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H](C)N(C)C)cs1 1612410621 MWCGFEDTMPDDMF-RDTXWAMCSA-N 414.583 1.761 30 10 HDEE C[C@H]1CCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1612748337 BZUKVVBVLJGYPI-YWZLYKJASA-N 415.519 1.603 30 10 HDEE C[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1C 1612865509 NPTQXRLHHLTJBM-MGTMEOADSA-N 400.483 1.891 30 10 HDEE C[C@]12CN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C[C@H]1CS(=O)(=O)C2 1618374890 UCQRAZAWTRKMTD-OXJNMPFZSA-N 405.495 1.807 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1623039000 AUMYLDNYGRSXCX-GOSISDBHSA-N 401.511 1.057 30 10 HDEE Cc1ccc(C(=O)Nc2cn(C)nc2-c2cnn(C)c2)cc1S(=O)(=O)NCC#N 1623445172 GESBVJQWANBIRF-UHFFFAOYSA-N 413.463 1.183 30 10 HDEE COCC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1624812056 MWKXQMQPLLZYIE-ZGOJQLDESA-N 420.510 1.090 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CCC2)[C@H](C)C(=O)OC)s1 1625144647 VCJJKIRMQFPPEV-GFCCVEGCSA-N 400.522 1.698 30 10 HDEE COc1cc([C@H](C#N)NC(=O)C[C@H](O)CNC(=O)OC(C)(C)C)cc(OC)c1OC 1626077701 UITATEBANGOAPM-KBPBESRZSA-N 423.466 1.669 30 10 HDEE N#Cc1cn(CCC(=O)NCCc2cc(Br)ccc2F)c(=O)nc1O 1626952016 DOYBXOURXBLYRV-UHFFFAOYSA-N 409.215 1.471 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 1627791131 XOXBVGIXWAHWEX-INIZCTEOSA-N 401.492 1.488 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cnc(I)c(O)c2)CC1 1627800207 MUDZMGDDPDNFFT-GFCCVEGCSA-N 414.247 1.698 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2cc(C(=O)OC)on2)c1 1629003743 VZIJEPKAVPQYHC-UHFFFAOYSA-N 404.444 1.923 30 10 HDEE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1630804176 WJXOYWWCCWVBRV-DEXSKKNNSA-N 404.511 1.804 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)C1 1631336284 TVSSJJMXGJUCEN-MRXNPFEDSA-N 413.503 1.114 30 10 HDEE N#Cc1ccc(C2=CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)cc1 1632123957 GMNXGEMCQXQZON-HXUWFJFHSA-N 420.444 1.987 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1632624293 QXYMFJPXMJXVDV-KRWDZBQOSA-N 422.570 1.600 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(C)COc2ccccc2O1 1633844388 QVRKJFOPLFIROQ-XOBRGWDASA-N 415.471 1.571 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1635595025 BKWTWHOLRUMTIZ-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)s1 1635807261 CRZUIKWNXMVKCM-SUNYJGFJSA-N 414.549 1.550 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCc1nc(O)c2c(n1)CCOC2 1636327527 SBWUKOSFZCIBBT-UHFFFAOYSA-N 403.236 1.748 30 10 HDEE N#C[C@]12CN(C(=O)c3cccnc3Nc3ccccc3F)C[C@H]1CS(=O)(=O)C2 1636512515 JQPIEMIQFGJAEN-ORAYPTAESA-N 400.435 1.975 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)s1 1636695178 SBZDDLRKUQUZTL-CYBMUJFWSA-N 420.578 1.038 30 10 HDEE COC(=O)[C@H]1CSCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1638436865 FXYPUMQMFNSMBQ-YCTJDYOESA-N 423.535 1.890 30 10 HDEE C#CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)cc1)C(=O)OC 1638826009 FROGQHFLIOYYMV-GOSISDBHSA-N 416.455 1.791 30 10 HDEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@@H](C)C1 1643409644 OOGSZJQLEIYUGF-CALCHBBNSA-N 421.563 1.657 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CC3OCCO3)C(=O)OC)n[nH]2)c1C 1644142023 MRUKSYLSWUNRTF-OAHLLOKOSA-N 403.439 1.110 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccc(OC)cc3)n2)CC1 1644281864 OIFFKHXTRNYKDP-UHFFFAOYSA-N 420.516 1.044 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 1644584087 WUWKPBBNBJYRDL-XMSQKQJNSA-N 424.432 1.656 30 10 HDEE CCOC(=O)c1csc(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)n1 1648110651 RNDTXUVTRZBSSV-MRXNPFEDSA-N 400.460 1.574 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C(C)(C)C 1648370034 OUUZSYIYVDOFAY-UHFFFAOYSA-N 407.536 1.057 30 10 HDEE O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N(O)Cc1cccc2ccccc12 1649069525 CIWJFWQLVKVXOW-INIZCTEOSA-N 415.471 1.723 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCC[C@H]1N1CCC(O)CC1 1650739539 NIFTVJIOCRPIHR-WOJBJXKFSA-N 410.522 1.644 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)C2=NN(CC(C)C)C(=O)CC2)c(=O)c1C#N 1650978388 BKPOTXVMDVDZNI-UHFFFAOYSA-N 422.283 1.804 30 10 HDEE C#CCN(CC(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1)C(=O)OC(C)(C)C 1650993598 KWRYWQOUMYVOMW-IYBDPMFKSA-N 401.467 1.653 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@@H](C)CC3)nnc12 1651239680 HPQIPRANSIMQAE-AWEZNQCLSA-N 413.503 1.960 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 1652420361 HETQVKMHPKOJNX-SFHVURJKSA-N 402.470 1.762 30 10 HDEE Cn1c(N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 1655904756 RYWQDNHZIFLDSL-UHFFFAOYSA-N 419.526 1.723 30 10 HDEE COc1ccc(C[C@@H](CO)CNS(=O)(=O)N(C)CCC#N)cc1Br 1662029161 BUKYCZMLYRVBLI-CYBMUJFWSA-N 420.329 1.289 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 1671494661 CPUSSLDYQWRUST-OLZOCXBDSA-N 402.517 1.258 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OC 1671562134 UDNOMZYASVASKW-OAHLLOKOSA-N 413.448 1.436 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1677401506 FAHSLDAOYXUSGV-JKSUJKDBSA-N 401.463 1.872 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 1681598272 RIKFFZHSTDGIDF-UHFFFAOYSA-N 400.523 1.491 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)nn1 1683315383 PGOAUSMPYKPNGR-GOSISDBHSA-N 414.466 1.428 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1683494788 NRJXFYKCTLGNJA-IRFCIJBXSA-N 416.547 1.621 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1684678580 FJJFKGHDTMFXGI-JXSMBQFASA-N 409.895 1.750 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1ccco1 1689957124 RTCYZJURPVBZLP-UHFFFAOYSA-N 407.430 1.809 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689982612 QRKWVYVBAHUYMG-UKRRQHHQSA-N 411.528 1.126 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nccnc1C 1690003288 JYSXDXLSWWYWDX-JOCHJYFZSA-N 408.506 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1690011747 BQPMUMLLYCQESG-UHFFFAOYSA-N 424.530 1.449 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1690052402 IHSBFVVSZBWPPM-WOJBJXKFSA-N 410.566 1.984 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2ccsc2)N(C)C)CC1 1690133956 ZWVJLNYADBECTQ-GOSISDBHSA-N 402.568 1.934 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)CC1 1690375894 WLLXPRJGRMNVRO-INIZCTEOSA-N 404.540 1.735 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)CC1 1690380131 CREHUDJIOCVJNP-UHFFFAOYSA-N 402.543 1.669 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1690648154 JETBWSGRQQMHDM-UHFFFAOYSA-N 405.506 1.780 30 10 HDEE COCC1(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCCC1 1697794874 HLTXHKNLSWAITM-MRXNPFEDSA-N 404.515 1.742 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@@H](C)O1 1697894250 OCVYRAJEWNQCSM-APWZRJJASA-N 415.494 1.456 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](CNC(C)=O)C1 1705531828 XRIKLPKIKPBESW-MRXNPFEDSA-N 412.494 1.772 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705566412 NWFIDLOREKZYJQ-OXJNMPFZSA-N 417.535 1.715 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705572044 PISNHCZTXQLFBV-MLHJIOFPSA-N 424.567 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCC1 1705589052 MUQFJCSAKIUEAM-MSOLQXFVSA-N 420.583 1.083 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC[C@H](F)C2)CC1 1705639191 IQZJDRHNKFHADY-BBWFWOEESA-N 409.531 1.074 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)CN2CCOCC2)CC1 1705639405 NJEVYMXHHPIOFZ-WOJBJXKFSA-N 416.570 1.243 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1nncn1C 1705812094 QXQNOIYXPMQIHS-ZIAGYGMSSA-N 408.532 1.325 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1705841418 ALLUCGNIPUKFCP-HUUCEWRRSA-N 411.514 1.352 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705935725 BPFLWDOEQQXZJZ-MSOLQXFVSA-N 424.567 1.778 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1706070480 LAACHPCFRPWYON-RBSFLKMASA-N 420.543 1.258 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1706238509 VVCIJXTWLPWOPG-INIZCTEOSA-N 413.438 1.354 30 10 HDEE CC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1707701596 XPOONSCYMJQMRL-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO 1708255157 HUDPMDTXZRRPGU-YLJYHZDGSA-N 410.522 1.889 30 10 HDEE CCN(C)Cc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1709924366 DFGORQYORABCFO-OALUTQOASA-N 423.521 1.458 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1722290755 ZJBLNJUNBOUFLU-OAHLLOKOSA-N 413.507 1.138 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1722369680 DOLIDZGXQIAVCX-IAGOWNOFSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCO[C@H]1C 1722370165 IDEFLEURCGHZIE-FDDCHVKYSA-N 421.501 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCCCS1(=O)=O 1722467794 CVCNLJORUCMLMC-MBOZVWFJSA-N 424.567 1.962 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722538825 XMJFSIGSRLJWAC-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccsc2)CC1 1722566760 YREVVWONPWMWJN-MRXNPFEDSA-N 423.564 1.877 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1722674640 RWIQIFUELZJSQK-FOIQADDNSA-N 416.482 1.104 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1722737656 NYXTWEJSIKMAGD-QGZVFWFLSA-N 414.539 1.700 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1723085530 AOGMTOZKLHMTLY-QFIPXVFZSA-N 421.505 1.448 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3Cc3cnn(C)c3)CC2)c1C#N 1725860511 CURFCGBHDZJXRU-UHFFFAOYSA-N 422.541 1.598 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(N(C)C)nc1 1727607520 LXDMLWDDWYPIKW-UHFFFAOYSA-N 417.521 1.943 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CSCCS2)CC1=O 1729597722 DXWISNVWBKWFGE-INIZCTEOSA-N 414.560 1.944 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1730683686 CHPDGYFMYHTEFV-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)CC1 1731067443 FJLLJUVPEPUYKM-UHFFFAOYSA-N 412.519 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1740553000 QFDXOLGRNYRMQU-FZKCQIBNSA-N 413.519 1.207 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1740616753 GKXXGMQAQQXHQO-MRXNPFEDSA-N 406.483 1.604 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1740622172 VWILGMULOWBSLA-CVEARBPZSA-N 401.536 1.956 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2csc(COC)n2)CC1 1740694578 NQOGKEVCIODQAS-KRWDZBQOSA-N 416.551 1.926 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740716498 SOEBLBWSKZDYHU-INIZCTEOSA-N 418.567 1.290 30 10 HDEE C=CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(=O)(=O)NC)CC1 1740841912 FTLWXOQYXZJYOO-UHFFFAOYSA-N 423.514 1.948 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C)C1 1740960618 WDZGQCFDRCLRHV-QGZVFWFLSA-N 424.553 1.991 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747457482 MALQOJHFJOHJLS-SSEXGKCCSA-N 423.502 1.644 30 10 HDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)n1 1748069085 APXDCUROTPVYSR-CYBMUJFWSA-N 419.371 1.156 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](CC)N1CCCC1 1748824668 GZOJOCGGINFJKL-GOSISDBHSA-N 405.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCc2nccn2C1 1748868849 KMRDFCXLDMPFOI-WMZHIEFXSA-N 422.533 1.852 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1748906581 WFCIXQDWLOXZDE-IRXDYDNUSA-N 410.588 1.470 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749427185 MPZFMLQDNYFYRM-QWHCGFSZSA-N 408.446 1.914 30 10 HDEE COCc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)c1 1749430748 COKHXGHNIPMGHQ-LSDHHAIUSA-N 420.539 1.679 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1749487653 GJXANHIELPBKGY-KRWDZBQOSA-N 421.523 1.290 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc2c1OCO2 1749590430 XSEXZEXDYKADMG-UHFFFAOYSA-N 401.467 1.832 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC12CCOCC2 1749600869 RFBAZQKATIEDPF-KRWDZBQOSA-N 403.527 1.856 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749660030 MMWDEKAOZGWGQD-CRAIPNDOSA-N 415.494 1.496 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1749681063 WHUOQVJGJVMOAD-UHFFFAOYSA-N 417.514 1.044 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@]2(CCOC2)O1 1749822583 WEWWNHJYBVUMRC-OXQOHEQNSA-N 420.514 1.121 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC2CC2)C1 1750378258 GABAJFTZTBWUPH-FQEVSTJZSA-N 416.432 1.964 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCOCCCO)CC1 1750385684 WSNLJIBHGOOKPO-UHFFFAOYSA-N 413.478 1.855 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1750516913 ABTQCLMVXMJDBB-KDOFPFPSSA-N 413.519 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1760121291 ULQYMIQFWOMUGI-HNNXBMFYSA-N 404.515 1.725 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1760121870 WBXRSFKLIBXVNL-HNNXBMFYSA-N 412.519 1.552 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@H]1COCCO1 1760166293 YIMMLPLMRWOJNN-AWEZNQCLSA-N 408.300 1.921 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OC 1760202049 RDJKRPJGOUMOTH-UHFFFAOYSA-N 404.430 1.531 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(CC)C2CC2)CC1 1760269078 XLTCZHVJQKLLLK-UHFFFAOYSA-N 422.537 1.185 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1760284894 UPDDSEIOVDFVDC-LJQANCHMSA-N 412.563 1.935 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)NC)c1 1760287363 POTOIQLAGQHVJV-JOCHJYFZSA-N 408.506 1.816 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760448405 BLSFZOQTPXYMPG-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C)C1CC1 1760476882 JJKWXCCPKUWJAR-HNNXBMFYSA-N 416.551 1.844 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCSC1 1760505753 IKWAJZUCIPHIQS-IBGZPJMESA-N 406.556 1.647 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1761560317 ANXAASZEPLPLKO-HUUCEWRRSA-N 411.466 1.469 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)O1 1764329568 YFMJGIONQTWXTG-GQIGUUNPSA-N 402.499 1.477 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@](C)(O)c1ccco1 1769303930 CEVBDVCBKCXWGP-NRFANRHFSA-N 408.462 1.890 30 10 HDEE N#CC1CCN(c2nnc(CCc3ccccc3)n2CC(=O)N2CCOCC2)CC1 1770746402 DHXCZMLQYYWHDN-UHFFFAOYSA-N 408.506 1.662 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1770756515 HWIYWKDHFMRPQF-SFHVURJKSA-N 414.535 1.948 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1771178918 KFMCMYDKPPZOGE-ZBFHGGJFSA-N 411.528 1.177 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CCNC(=O)C1 1849694398 UMPKWYQMJCQQOB-RTBURBONSA-N 402.491 1.564 30 10 HDEE CCN1CCN(CC(=O)OCCCc2cn3ncc(C#N)c3nc2C(F)(F)F)CC1 1852484159 HSUJUNKDKSKHGI-UHFFFAOYSA-N 424.427 1.733 30 10 HDEE N#C[C@@H]1CC(=O)N(C(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 1852955320 RFCBKFRVQMKQCU-AWEZNQCLSA-N 404.467 1.106 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cn3cnc4ccccc43)C(=O)C2)C1 1854957310 WIDOWOLAPBECOD-MSOLQXFVSA-N 408.506 1.474 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@H](N3CCN(Cc4cccnc4)CC3)C2=O)cc1 1855641663 SDFDSQHXAHHIPP-NRFANRHFSA-N 403.486 1.441 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)nn1 1855706666 LZZWVYCVDLKCKL-IBGZPJMESA-N 406.490 1.894 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540059 HIBPJTSGZXDWSY-YOEHRIQHSA-N 419.478 1.353 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(C[C@H]4CCCOC4)C3)CC2=O)cc1C#N 1856862858 YSORDMOQLPXWOW-WIYYLYMNSA-N 410.518 1.652 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CCC(COc4cc(C#N)ccn4)CC3)C2=O)no1 1857015238 LWMDURRGRTVRHP-GOSISDBHSA-N 409.446 1.782 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cn2ccc3ccccc32)C1)[C@H]1CCN(C)C1=O 1857274639 QAUCKEADZDHOGL-PXNSSMCTSA-N 408.502 1.735 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cn4cc(Cl)ccc4n3)C2)CC1=O 1857306185 NYNFLIKGIJQWNY-INIZCTEOSA-N 400.870 1.146 30 10 HDEE Cc1nn(C)cc1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857465202 LTDISAMSEDOXLV-HNNXBMFYSA-N 408.462 1.137 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1858298489 QKYXYJHTDCMUPT-MRXNPFEDSA-N 402.410 1.185 30 10 HDEE CN1CCN(C(=O)C(C)(C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868774707 OKCLDZFIKITYKW-QGZVFWFLSA-N 417.579 1.694 30 10 HDEE C=CCN=c1nc(Nc2ccc(OCCCC)cc2)[nH]c(N(CCO)CCO)n1 1871612881 HQCHVNRWCVHELL-UHFFFAOYSA-N 402.499 1.605 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871622014 XDGZCZNPUIXSSD-CQSZACIVSA-N 413.482 1.901 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(NCCOCCO)ncnc21 1875230974 VCQZWJQOKHWALC-UHFFFAOYSA-N 405.499 1.273 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)OCC12CC2 1880980678 VTPAGCSSHNCASO-CQSZACIVSA-N 402.403 1.909 30 10 HDEE C=C(I)C[S@](=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 1881443099 VMENFVCWAYSNRE-RLBGWGEZSA-N 403.238 1.662 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)[C@H]1OC 1884170050 JUCYEDKXKGPHPO-KFWWJZLASA-N 420.418 1.390 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CC(=O)N(C)C2)[C@H]1c1ccc(C#N)cc1 1889218406 BZHXMESZCAPBHE-IPELMVKDSA-N 400.504 1.299 30 10 HDEE N#Cc1cccc(NC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 1889550419 AJKQFPOHUQYOMU-UHFFFAOYSA-N 408.466 1.502 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)NCC#CCN1CCc2ccccc2C1 1889877347 QZZWJDXKRXHPDW-UHFFFAOYSA-N 412.511 1.890 30 10 HDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)N=c1[nH]ccc(C#N)c1N 1959371812 PGPXTJKZWMTJQZ-UHFFFAOYSA-N 406.487 1.787 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 1984852339 UPNFNJRCXQXJNK-ZWKOTPCHSA-N 417.506 1.995 30 10 HDEE C=C(CNC(=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991967425 ABIIFZOWLZPMAM-CQSZACIVSA-N 409.336 1.888 30 10 HDEE NC(=NO)c1ncn(-c2ncc(I)cc2Br)n1 2015764813 LMESCRJGRDZPNQ-UHFFFAOYSA-N 408.985 1.124 30 10 HDEE N#C[C@H]1CNCCN1C(=O)c1ccc(Br)cc1I 2086151209 LZNWHEJCESSTEO-VIFPVBQESA-N 420.048 1.991 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nc(Cl)c(C#N)s2)[C@H]2CS(=O)(=O)C[C@@H]21 2106586975 KBGWMSGMKDYLBE-UWVGGRQHSA-N 418.928 1.891 30 10 HDEE C#CCN(C(=O)C1CC(F)(CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180120070 QRPNDVNOEWEWGZ-TXKKKEFDSA-N 402.488 1.278 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2243108506 MLWIGTUOPUCKEK-HNNXBMFYSA-N 407.320 1.703 30 10 HDEE CO[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2243699436 ZZKDXPXDPOQLBV-OAHLLOKOSA-N 408.304 1.619 30 10 HDEE CN(CCN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247914980 UCGFBSXGFAYYQF-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CNCCSC3)c2)OC1(C)C 2267368385 INGIGTJTDXZYOF-LBPRGKRZSA-N 404.388 1.031 30 10 HDEE COCC1(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CNC1 2281935490 CBENFXJCGNQWTA-UHFFFAOYSA-N 400.737 1.667 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC(C2OCCO2)CC1 2282007498 CKSSHTTWIMDPGJ-UHFFFAOYSA-N 405.304 1.253 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282017836 PICCTKATBULWKF-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)[S@@](C)=O 2282313584 MZXYVVAANWERLM-SSINHNECSA-N 405.322 1.170 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]([C@H](C)N)C1 2282315647 QOYXTKCSKMRRKF-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CCCN(CC(=O)OC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340301 DLLVGTBHOOYQDG-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE COC(=O)CN(C(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344030 SXLVHQNTXKMBAV-UHFFFAOYSA-N 403.331 1.619 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H]3CCN)s2)OC1(C)C 2282345220 YWRVRXBNHLEULO-CYBMUJFWSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCCC4(C3)OCCO4)cc2)OC1(C)C 2282495502 NLBXBNGXKPNQDT-UHFFFAOYSA-N 423.340 1.655 30 10 HDEE CC1(CCNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CNC1 2282500706 MLNLWIIJSYLQIK-UHFFFAOYSA-N 400.375 1.466 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@@](C)(O)C2)OC1(C)C 2282838409 ODVWTPLSEXULOH-SUMWQHHRSA-N 401.359 1.770 30 10 HDEE C[C@@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282845736 YKWUGDXOYUJPJJ-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE CC1(CN)CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282875632 RHFQWCYWCONFEL-UHFFFAOYSA-N 400.737 1.609 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCO[C@H]3C(=O)O)c2Cl)OC1(C)C 2284446104 SBKBNFSNHLDJRK-MWLCHTKSSA-N 401.677 1.673 30 10 HDEE COc1ccc(OC)c([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)c1 2296145109 RXFBEAVFCIRKOP-GOSISDBHSA-N 417.414 1.727 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CCO[C@H]2C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2298460750 OYVHKNCEBFXWBR-XHSDSOJGSA-N 420.315 1.904 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2300229797 AWTJKGHFKMQBLK-STQMWFEESA-N 420.319 1.362 30 10 HDEE CON(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2300282115 USWWIUBNEGPLLP-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CCOc1ccc(C=NNC(=S)NCCN2C(=O)CSC2=O)cc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c2cnc(SC)n2-c2ccc(F)cc2)CC1 53309797 CORHSEGTJUVURN-UHFFFAOYSA-N 417.510 1.793 30 10 HDEE C=CCS(=O)(=O)[C@@H](C)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C)C2 71555339 RAHOUZXVRBNBBH-NSHDSACASA-N 400.522 1.841 30 10 HDEE COc1cc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)ccc1O 101441611 OFCAABSFGXUCHD-CJNGLKHVSA-N 409.446 1.944 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(C)c1 238860771 KPNCPOQGJJWGQZ-INIZCTEOSA-N 415.475 1.847 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)ccc1C#N 443874965 HUSOEMXHJLUDRU-UHFFFAOYSA-N 417.512 1.632 30 10 HDEE C=CCNC(=O)Cc1noc([C@@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 445349550 OKFLCKAZRHPYNQ-CYBMUJFWSA-N 409.468 1.087 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccnc(N3CCOCC3)c2)cn1 462091815 IDOPDAYERULEEV-UHFFFAOYSA-N 404.434 1.692 30 10 HDEE CCOC(=O)c1cnc(N2CCN(CC(=O)N(CCC#N)CCC#N)CC2)s1 464778936 WZIZEQXNJKIELF-UHFFFAOYSA-N 404.496 1.098 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474330691 QIPHHABXXUBNGZ-UHFFFAOYSA-N 416.506 1.716 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nc3ccc(Br)cn23)CC1 474407043 BIWCEXMDYQDXHP-UHFFFAOYSA-N 420.311 1.465 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1C#N 480708265 IOKAFPYQVFIUPG-UHFFFAOYSA-N 402.455 1.263 30 10 HDEE C=CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1 485454618 MGSVDKOJBVYIDK-UHFFFAOYSA-N 411.549 1.300 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCC3CCS(=O)(=O)CC3)C2=O)cc1 486511165 HLESZWFMXMPDKF-GOSISDBHSA-N 418.519 1.173 30 10 HDEE Cc1cc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)nn1-c1cccc(C#N)c1 503338388 YTMONCZGVZJRLA-UHFFFAOYSA-N 403.446 1.109 30 10 HDEE Cc1noc(CN2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)n1 504726778 VGDMWIGGQXYXHJ-UHFFFAOYSA-N 408.466 1.186 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCNC(=O)c2ccc(F)cc2)CC1 520377871 SMBUWZFKJOPWOH-UHFFFAOYSA-N 410.453 1.744 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCN2CCOC[C@@H]2C1 542684430 NFKNJAVOGWUNJT-AWEZNQCLSA-N 424.295 1.641 30 10 HDEE CC(C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 543757966 ZZZAPNRWCVGJPW-UHFFFAOYSA-N 402.270 1.221 30 10 HDEE CS(=O)(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545469715 ZAHLLHGIKFEQDJ-UHFFFAOYSA-N 420.516 1.009 30 10 HDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)CC3(C#N)CCCC3)C2=O)c(OC)c1 561547257 LUKLIQZLDUYVNA-KRWDZBQOSA-N 421.519 1.808 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1Cc1ccccc1 571852643 NZHWFPPSJONANP-UHFFFAOYSA-N 415.927 1.922 30 10 HDEE C=CCNC(=O)Nc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 586587007 HUVBHEGKILKNEC-UHFFFAOYSA-N 402.476 1.614 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(F)c1 609257083 SADYHMWHXCLTMG-UHFFFAOYSA-N 410.405 1.425 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCCC1 610522500 LQPJLALOHKJVEF-SFHVURJKSA-N 414.554 1.772 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2CCCCC2)CC1 616173007 SSIVOYIPWFPFFX-UHFFFAOYSA-N 419.551 1.450 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729671777 OSEXDMFZKCDKHX-UHFFFAOYSA-N 409.515 1.243 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 732155772 FSWVXILWVICPTC-QOCHGBHMSA-N 416.441 1.736 30 10 HDEE CN(C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C)c1ccccc1 732795736 VPAXENQXDMMKOC-UHFFFAOYSA-N 415.478 1.261 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 734171267 HBCTUSQNNQSHNB-GOSISDBHSA-N 412.534 1.973 30 10 HDEE CN(Cc1cnccn1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 735568183 WWAYGOZRWVRYOZ-XLNRJJMWSA-N 402.480 1.953 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2scnc2C)c1=O 743727406 BBFDQAJWEDKEKZ-UHFFFAOYSA-N 417.556 1.974 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1 746167219 CDWQWCRYOAAIGL-CVTQAYBASA-N 403.410 1.853 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cn(C)nc2C(F)(F)F)ccc1F 748148397 PTMKAEJLUCSDBH-UHFFFAOYSA-N 420.388 1.972 30 10 HDEE Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 748402559 MQNHRRRXVVZVKL-CQSZACIVSA-N 415.471 1.418 30 10 HDEE C#CCCNC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 758798769 ZGKHJRWEVXKADD-SJORKVTESA-N 406.527 1.947 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(C#N)ccc2O)CC1 759713069 GJQQFXAYMYMQJC-UHFFFAOYSA-N 403.464 1.643 30 10 HDEE C#CCN(C(=O)[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2)[C@H]1CCS(=O)(=O)C1 764869497 AELVYULTQPHFFT-HOTGVXAUSA-N 410.536 1.673 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccccc2)C[C@@H]1CC)c1cc[nH]n1 772547721 JLGCBCNYVXVPLV-INIZCTEOSA-N 413.478 1.821 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 773571130 CZBQZZKSMIUVST-RDJZCZTQSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)Nc1cccc(CSCC(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 774036329 NAOUSJBFDVLFTF-INIZCTEOSA-N 410.517 1.747 30 10 HDEE C#CCN(C(=O)Nc1ccccc1N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774037390 XIDWVXXOZVIXMU-YESZJQIVSA-N 405.520 1.954 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(NC(C)(C)C)cn2)C1 774780563 CJYUORUKIRPZIH-KRWDZBQOSA-N 420.558 1.402 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)NS(=O)(=O)CC1(C#N)CCCC1)C2=O 779319686 JOMFKBLUGOKYRZ-UHFFFAOYSA-N 410.496 1.017 30 10 HDEE COC[C@@H](CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N)OC 781104412 UILHQXGFBOJZIA-NVXWUHKLSA-N 416.503 1.820 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 786296831 OJIGEFUCPPJHDI-CQSZACIVSA-N 419.482 1.023 30 10 HDEE C[C@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)NC1(C#N)CCC1 787747829 QXXLVFZOEIFKPY-QMMMGPOBSA-N 424.326 1.940 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]c3c(F)cc(F)cc3c2=O)n1 790105836 DBEJFZGPFAGDCA-UHFFFAOYSA-N 400.385 1.925 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C2CC2)cn1 797424769 CSISRSTXHIYCRV-BBWFWOEESA-N 418.567 1.701 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 802625794 IEOHPPNNDAACIV-CXAGYDPISA-N 405.426 1.350 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 809927976 KOUNMDVQSCLXCR-HUUCEWRRSA-N 420.514 1.439 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 810983535 TXIKSJKBWFABQN-ZBFHGGJFSA-N 408.524 1.663 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cc1 811830638 XKFHPMFTAJNSPI-UHFFFAOYSA-N 402.428 1.402 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 812090706 PZGNSKQVPRRMKE-KRWDZBQOSA-N 417.510 1.696 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Cl)c3nonc23)n1 814393118 XPGTZCXGJGFXEP-UHFFFAOYSA-N 409.855 1.543 30 10 HDEE C#CCN(C)CCCNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 818608980 CKMMNRNOWHEVRG-CQSZACIVSA-N 415.353 1.930 30 10 HDEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 913034484 MXSHEPNUAXUALY-INIZCTEOSA-N 413.471 1.438 30 10 HDEE CC[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1126778692 PVMSRNBVZBWLSZ-HZPDHXFCSA-N 410.515 1.717 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1128537517 AREVCJIBPDSOFQ-LSDHHAIUSA-N 401.525 1.621 30 10 HDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C1CCOCC1 1131469731 XFYDECRIFILSMW-CQSZACIVSA-N 414.574 1.644 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nnc3n2CCCCC3)c1 1141336216 DSUAFWHQAMAPHG-UHFFFAOYSA-N 405.455 1.413 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(I)nn1C 1146221057 MLZODRYTEBGFNB-CYBMUJFWSA-N 410.215 1.702 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3c4ccccc4C[C@@H]3CO)C2=O)cc1 1146793885 KETAFEXKYVVJAG-QZTJIDSGSA-N 404.426 1.713 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1147809692 KPAZYRKVGNSMIV-UHFFFAOYSA-N 405.501 1.964 30 10 HDEE CCOC(=O)c1nc(NCCN/C(O)=C2\N=CC=CC2=O)ccc1Br 1162438280 VMCOVUYNHSASTD-CCEZHUSRSA-N 409.240 1.959 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](C3OCCO3)C2)CC1 1176209578 GUQFFKKTUJNXGR-PKOBYXMFSA-N 402.470 1.229 30 10 HDEE N#C[C@]12CN(CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1176702693 YEXPCBVAWVKTAG-XJKSGUPXSA-N 401.410 1.904 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)[C@@H](O)C1 1196698050 NTMQBTVZRGQHJJ-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CS(C)(=O)=O)c1 1211915878 LWNRJMFZKBZDJV-HNNXBMFYSA-N 400.522 1.190 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1212392733 PJWLXYLXNDLJAK-QYZOEREBSA-N 408.520 1.775 30 10 HDEE C[C@@H]1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1253205570 JYTZWQYJPVPETB-WBVHZDCISA-N 406.508 1.532 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1273306106 PZEQDECWIVQLPN-QGTPRVQTSA-N 423.491 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1286290682 AOOBDEGMYILPOK-GOEBONIOSA-N 422.511 1.085 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1286428347 CZSNTBJCAMXKPF-MJGOQNOKSA-N 421.505 1.093 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](OC)C(F)(F)F 1286465300 LMBOULCRQOIAIQ-OLZOCXBDSA-N 403.405 1.283 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NC2CCCCC2)CC1 1286476069 NBTTVIXLVOGQKM-UHFFFAOYSA-N 421.549 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@]2(N(C)C)CCSC2)CC1 1286487709 XIAPDDHPQJVLJC-OAQYLSRUSA-N 418.611 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(COC)CC1 1286556897 RXZCHPJFIXSEEW-AOIWGVFYSA-N 401.511 1.993 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286702437 RJPDMEBZCPRGKT-KRWDZBQOSA-N 404.540 1.748 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(C)C)C1 1286814353 QHBDTJXHDVAMHX-QGZVFWFLSA-N 423.583 1.987 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@H](OCC)C1 1286819018 WVKCLUWEQWPIRY-INIZCTEOSA-N 407.540 1.890 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286834330 DYJFEZVMFZXBMS-MRXNPFEDSA-N 416.555 1.273 30 10 HDEE CC(C)C(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287141575 YDKAICONWOXABJ-AEFFLSMTSA-N 415.542 1.121 30 10 HDEE Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)c1 1290278488 IENRBINJUSCRDS-YJBOKZPZSA-N 420.543 1.224 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1290979077 QDOIMNTUJGVSHR-CYBMUJFWSA-N 404.421 1.765 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C 1292986396 KVHFGEJISOPDNZ-GCJKJVERSA-N 406.571 1.922 30 10 HDEE CCc1nnc(N2CC[C@@H]3[C@@H](COC)[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1293174169 XQHBLMQNCIQVOD-TZGVDNTFSA-N 400.483 1.086 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1298791106 VGXQYUIICGAVHM-MOPGFXCFSA-N 413.478 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1300306912 ACKKJHTXJRDWBM-KGLIPLIRSA-N 403.508 1.553 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(C(=O)NC)CC1 1300336990 RNTHBIVHSQRQEL-UHFFFAOYSA-N 402.543 1.962 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1300765468 FECIFBNHANQPQE-IBGZPJMESA-N 412.563 1.556 30 10 HDEE C#CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300776219 GRVUCXKYGGDNIB-JXFKEZNVSA-N 422.551 1.684 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)[C@H](O)C3CCCCC3)ccc2c1=O 1301842236 QUNKFEQOMGDATO-ZWKOTPCHSA-N 417.531 1.903 30 10 HDEE COCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1301843565 RMXLEFNMBNPLEK-XLIONFOSSA-N 404.515 1.142 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1303347219 KLIRLSIALQEWQU-LAUBAEHRSA-N 416.526 1.884 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc(C=O)c3)C2)c(=O)nc1O 1305590457 QYDOSHAEFGNVPZ-UHFFFAOYSA-N 403.192 1.093 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1306244634 CFPDIKURMQWZSW-JKSUJKDBSA-N 416.432 1.956 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCC1 1307534836 IEXIATHQFLWLGC-OAHLLOKOSA-N 403.508 1.314 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3[C@@H](O)c3ccccc3)CC2)o1 1307987253 GZUPMKNFMFDTAD-FPOVZHCZSA-N 409.490 1.701 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCc1cccnc1N1CCN(C)CC1 1309117172 CYJKEDQSWUKOFG-UHFFFAOYSA-N 403.483 1.631 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1358978491 OEKFAKYCFYTOIT-CQSZACIVSA-N 403.533 1.320 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCN(C)C(C)(C)C1 1359013014 HOGKLYMXOASXJP-UHFFFAOYSA-N 412.586 1.625 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ncn(C)n1 1359019755 FXRHLUIBICEKIK-UHFFFAOYSA-N 417.477 1.598 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359197095 CSGUJJGQVJRYNE-HNNXBMFYSA-N 412.560 1.243 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C(C)C)no2)CC1 1359286588 CUTBNKILSYODMM-HUUCEWRRSA-N 414.514 1.805 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1359320282 OGVILMMYTHFSSH-QFBILLFUSA-N 410.540 1.267 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@@H](C)C1 1359336256 JRNDKIPYPSKGQU-QAETUUGQSA-N 412.556 1.695 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1359343741 ZRDLICABEBSCSB-LSDHHAIUSA-N 400.570 1.572 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1360784502 GEJAPRTZYNHWSA-CRAIPNDOSA-N 407.540 1.879 30 10 HDEE CC1(C)OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1437899069 QTYFLERBYNPTNW-QGZVFWFLSA-N 405.520 1.890 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCC[C@@H]3O)cc1 1441667837 QVTKOAKDGTVUIV-VPMFXMNOSA-N 417.491 1.775 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)C(C)C 1443429130 QDXVHBVJQPHPNE-HNNXBMFYSA-N 404.536 1.727 30 10 HDEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1443540715 YRGNKOUNLLZGPS-GASGDFKYSA-N 412.512 1.275 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1)C(=O)OC 1448494748 KXBQKUPIGKZRPU-IBGZPJMESA-N 422.437 1.957 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1455949582 FJUPKJXLEZBAKT-SJORKVTESA-N 419.522 1.533 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCn1cc(-c2ccccc2)nn1 1457277664 OSVJDFNGJKXWBZ-HNNXBMFYSA-N 424.486 1.300 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@@](C)(C#N)C3)cc2)C[C@@H](C)O1 1460486354 DYDOAGPADJLSTL-YRNRMSPPSA-N 420.535 1.659 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1460970455 XNUBYBNZKVAEFK-SQWLQELKSA-N 401.410 1.526 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)c1 1462561717 BCWPLTNJKXBUSK-UHFFFAOYSA-N 413.478 1.186 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1464519600 GKOSFNSITRTKER-NSHDSACASA-N 406.323 1.887 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)NCCC(N)=O 1464766087 BJWUIUCRWMORFU-INIZCTEOSA-N 416.478 1.537 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1)C1CCCC1 1468895964 CTYZWQNMYMJGFX-RBUKOAKNSA-N 417.535 1.312 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C12CCC2 1469581238 AKARRLHULSZAJZ-WTIYMYMHSA-N 418.494 1.855 30 10 HDEE N#Cc1ccc(C2(NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CCOCC2)cc1 1471091067 XBDUYCGSBGQFDB-UHFFFAOYSA-N 403.435 1.780 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)Cc1cn(C)nn1 1471674540 AETIOMKOSSLQQH-CJNGLKHVSA-N 418.523 1.160 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 1471716030 PRQXRWOHWZBLAU-PMPSAXMXSA-N 411.499 1.952 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1471938276 HWDFJSOWTRXTSK-AWEZNQCLSA-N 408.480 1.253 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1472437866 HBZHKYOESCQXOE-AWEZNQCLSA-N 400.382 1.626 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 1475533549 DNGQSYKTRWXMJV-SFHVURJKSA-N 421.563 1.866 30 10 HDEE N#Cc1ncn(CCNC(=O)NC[C@](O)(c2ccccc2Cl)C(F)(F)F)n1 1478603480 DTJCBLPJWXHZMS-AWEZNQCLSA-N 402.764 1.552 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1492393143 KZLZTWXKEPFKOR-ZWKOTPCHSA-N 424.505 1.809 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)c1ccco1 1503386552 HQPRKMODJYOUNM-IQUTYRLHSA-N 401.446 1.567 30 10 HDEE CN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1503526213 BZEPVJGROUASGI-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE CO[C@@]1(Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1504057670 NDRXLNMQJBBUBN-QZTJIDSGSA-N 406.487 1.881 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507585486 KFQWLVVGTPBLBO-QGZVFWFLSA-N 407.522 1.543 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1507633408 SGYALNHZSFELRG-CVEARBPZSA-N 410.540 1.081 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCO[C@@H](C)C1 1507659823 GITFHHVLZFGYQF-BZSNNMDCSA-N 421.567 1.556 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1507684798 ITSBQQLEHAVECI-VFNWGFHPSA-N 400.479 1.962 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2([S@@](C)=O)CCC2)CC1 1507719547 OPEBWRMYSWENOX-CQGGRAHPSA-N 423.583 1.059 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@](C)(O)CC)CC1 1507725756 AGAUQVYPGNWMHI-HXUWFJFHSA-N 416.551 1.186 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(OC)CCOC2)CC1 1507727569 JKPJZQHEBDENFX-FQEVSTJZSA-N 401.536 1.491 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507749028 VODWGHHJKFIZSC-MRXNPFEDSA-N 413.503 1.961 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC)CC1 1507882037 QLTJCRPGEQTQCV-OAHLLOKOSA-N 420.539 1.887 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1 1508019714 DMXUMRINZDTEOP-OAHLLOKOSA-N 403.508 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508080173 LFMSTHLDAPHNCT-OAQYLSRUSA-N 423.452 1.274 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508095375 NYDVVJUAXJYFJI-UHFFFAOYSA-N 419.533 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508134265 COVGVCCMEVOORB-QAPCUYQASA-N 420.535 1.762 30 10 HDEE CC1(C)CN(CCn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CCO1 1510339038 DUGSLDMBLSYABS-UHFFFAOYSA-N 415.542 1.365 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccc(CNC(C)=O)c2)c1 1518824181 BIHDBNFAKUGJEZ-UHFFFAOYSA-N 419.481 1.810 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)Nc2ncc3c(c2C#N)COCC3)n1 1525912467 AAKAKEBACCSVBS-UHFFFAOYSA-N 403.240 1.897 30 10 HDEE C=C[C@@H](CC)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1527892861 UKJMWZUGZAJHTB-KRWDZBQOSA-N 409.552 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1538970118 AAESSJXLFFTPEI-RCCFBDPRSA-N 424.615 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539016802 VQIHGGGWWCKXIQ-HOTGVXAUSA-N 414.510 1.495 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CCOC)c1 1539021516 JZMKUHBKFKARTA-KRWDZBQOSA-N 418.505 1.866 30 10 HDEE CC1(C)OC[C@H]2C[C@@]21NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1539152145 SRATVRBRHDEIJK-OXQOHEQNSA-N 403.504 1.643 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1539221089 YIRALLYSKHBBNM-QGZVFWFLSA-N 402.520 1.833 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CC1 1539300215 SNISXAPJECUIJA-PIIWDFAUSA-N 404.536 1.304 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCCS(=O)(=O)C1 1539407696 LZLSZNRMULIYMV-INIZCTEOSA-N 405.524 1.194 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(N(C)C)cc1 1539412985 GGLWOTZCEXOTFF-IBGZPJMESA-N 410.522 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCC[C@H]2C)CC1 1539475693 MSFNPTSEOATROE-GOSISDBHSA-N 423.565 1.734 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1539980959 BORVTGGDVBUYCN-MRXNPFEDSA-N 419.555 1.576 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1540874932 WPQSXQLYJJHEGF-MRXNPFEDSA-N 401.515 1.446 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1540891267 RMLFBBRQTVHZJG-RTBURBONSA-N 419.570 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(F)F)CC1 1540898034 YKDQDAQROSBOKA-AWEZNQCLSA-N 405.515 1.780 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cc(OC)cc(OC)c1)c1cc[nH]n1 1543466842 QOANOFKNMMPNOO-UHFFFAOYSA-N 404.423 1.369 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)c1 1545029306 PBHGHUSWJQIYIW-OAHLLOKOSA-N 421.500 1.292 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1546579047 DSODQWKMHGGGEI-OXJNMPFZSA-N 412.519 1.400 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1547312985 GURODACQURENJT-JKSUJKDBSA-N 410.434 1.409 30 10 HDEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1555685792 YVELROFRAXALFM-WBVHZDCISA-N 412.494 1.899 30 10 HDEE N#Cc1c(F)cc(CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)cc1F 1556317737 KOCCIZLEVFOEBJ-UHFFFAOYSA-N 400.316 1.954 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCCONC(=O)OC(C)(C)C)c1 1558597876 MIYYMXXOPKZUNL-UHFFFAOYSA-N 413.496 1.727 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CC(OC)(OC)C2)[C@@H]1C(C)C)c1cc[nH]n1 1570877749 HZTDKACHSIPFDZ-KRWDZBQOSA-N 422.482 1.330 30 10 HDEE C[C@H](C(=O)NCc1ccn(-c2ccc(Br)cc2)n1)n1cnc(C#N)n1 1584340691 WOCASEOPPVXPME-LLVKDONJSA-N 400.240 1.975 30 10 HDEE Cc1cccc2c1C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CO2 1585390917 AXRPOWKKZZUYMH-OAHLLOKOSA-N 413.499 1.934 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1586488311 PJWMSCMLFNBSPO-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Oc3cccc(C(=O)N4CCOCC4)c3)CC2=O)cc1 1586996715 OACSMLISPVWOSN-SFHVURJKSA-N 419.437 1.989 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(O)nnc(CC)c2CC)s1 1588261230 FTFUILMYLMNTGM-UHFFFAOYSA-N 424.548 1.692 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1594807729 YESIZLWZOTWJMB-KRWDZBQOSA-N 416.526 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1595778099 WMIFDMAOPNNBRO-MRXNPFEDSA-N 401.492 1.583 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1595844925 JZSLKJZEYQQPMN-QWHCGFSZSA-N 405.615 1.749 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1595896338 XNTZGKYNKLGHCL-IRXDYDNUSA-N 421.567 1.704 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccccn4)C3)C2)nc1 1596978477 OSVXMLKXQDBPHG-IEBWSBKVSA-N 404.474 1.800 30 10 HDEE COC(=O)[C@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C(=O)OC 1617318717 ONMSCLUPILMHTB-KBPBESRZSA-N 409.236 1.284 30 10 HDEE CO[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1619510898 PUQSIOACUKJFFJ-MWWIPNPYSA-N 416.526 1.963 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cc1 1621774627 FWEBZACBRPCJFE-HXUWFJFHSA-N 411.527 1.844 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCC1 1622825069 YNQNIMBBPUXGTN-OAHLLOKOSA-N 408.524 1.433 30 10 HDEE COCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1623265176 RCWMRYPOBSOFSP-TZQQIIETSA-N 420.510 1.090 30 10 HDEE CN1CCC[C@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1624893709 ZMOHQOOCPDBZOL-AJNNJPABSA-N 408.524 1.285 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)nn1 1624955797 GDBNPVIUPAAVBP-UHFFFAOYSA-N 403.439 1.746 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1624981556 UEQOUPXYZXRYLN-CVEARBPZSA-N 404.467 1.869 30 10 HDEE CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)Cn1cc(C#N)c(O)nc1=O 1626270814 BQFLGQKHQVZAHZ-AWEZNQCLSA-N 411.462 1.703 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccccn3)C2)cc1S(=O)(=O)NCC#N 1627610113 WIAMBKZASIKVBE-SJLPKXTDSA-N 414.487 1.842 30 10 HDEE C=CCOc1cccnc1C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1628964557 PQOFWJVMCLSQME-UHFFFAOYSA-N 422.485 1.946 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@H]2c2noc(C3CC3)n2)cc1 1629531723 CQFRELJBJATZRM-INIZCTEOSA-N 415.475 1.851 30 10 HDEE COCc1cc(O)ccc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1629689195 WJECWKDNQBTWRV-LBPRGKRZSA-N 403.460 1.994 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 1629970805 NKWZNPAHJISIBU-JOCHJYFZSA-N 410.495 1.753 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cncs2)C(=O)OC)c1 1633891840 GEUQYXZQFVGWHW-OAHLLOKOSA-N 409.489 1.122 30 10 HDEE CN(CCCC(=O)N1CCC(NC(=O)CSCC#N)CC1)C(=O)OC(C)(C)C 1634028169 PXESJNFFUPAGPF-UHFFFAOYSA-N 412.556 1.997 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCN2CCC(O)CC2)nnc1-c1ccco1 1635689031 XEQNRMDTBIVJHB-UHFFFAOYSA-N 405.524 1.779 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1636891675 JUEKTUYYLMGCLF-GJZGRUSLSA-N 417.514 1.597 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(N4CCCC4=O)ccc3Cl)C2)c(=O)nc1O 1637512941 KUUYOZGJGPHXCH-UHFFFAOYSA-N 413.821 1.298 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N[C@@H]2CCCN(O)C2=O)C1 1637667833 MBAJIQSIWWYFTF-OAHLLOKOSA-N 405.451 1.926 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn12 1638175128 SEHULCXEAPPFHM-MNOVXSKESA-N 410.862 1.631 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)o1 1638847079 UGFDIAPLAHBDJK-OAHLLOKOSA-N 404.444 1.352 30 10 HDEE N#C[C@@]1(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCc2ccccc2C1 1638848143 JWNNNXUQFDAZHZ-PGRDOPGGSA-N 424.888 1.881 30 10 HDEE C=CCN(CC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F)CC(=O)OCC 1641631802 SDABBFJSOGHVLL-UHFFFAOYSA-N 402.430 1.668 30 10 HDEE Cn1c(=O)n(C)c2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)c(O)cc21 1641927516 HBPOJDFSRXAUDP-UHFFFAOYSA-N 418.406 1.271 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1642969242 TYXMSGUINNEXJD-NVXWUHKLSA-N 411.462 1.279 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C[C@H](O)CC4(O)CCOCC4)CC3)n[nH]2)cc1 1643734031 UZRFFGQEUQERJN-LJQANCHMSA-N 411.506 1.363 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc2ccc(F)cc12 1643854872 NUWSAJHDVNRXCX-UHFFFAOYSA-N 402.407 1.712 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)N[C@H](c2cccc(C#N)c2)C(F)(F)F)cn1C 1644215285 WQYLFVBUGRHPGA-OAHLLOKOSA-N 415.397 1.298 30 10 HDEE C#CCC1(O)CCN(Cc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)CC1 1644292586 UKLOXVOJZHSKIE-UHFFFAOYSA-N 404.536 1.657 30 10 HDEE CC#CC[C@H](CO)NC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 1644466929 UTBQTAQOYKDAGB-OAHLLOKOSA-N 422.528 1.843 30 10 HDEE Cc1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2F)cc1S(=O)(=O)NCC#N 1644625795 CTRHZGXUEIZGFP-QAPCUYQASA-N 403.435 1.999 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)ccc1F 1648686525 JMFOIYCBHYHQDV-QZTJIDSGSA-N 420.462 1.554 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)(F)F 1650765894 MJRNQWOXDWPWGS-CYBMUJFWSA-N 417.409 1.631 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2c(Br)cccc2C#N)CC1 1650857378 XMHZAHSBWXNNDL-UHFFFAOYSA-N 402.314 1.809 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccn2)CC1 1652331810 IKJHKOOYMCLSBU-LJQANCHMSA-N 405.506 1.817 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2cc(OC)c(C(=O)OC)cc2Br)C1=O 1656001912 DLBREGKWZDWABC-UHFFFAOYSA-N 411.208 1.721 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 1656189711 RGTAOCSHFYHXAV-RTBURBONSA-N 419.547 1.524 30 10 HDEE Cn1c(=O)oc2ccc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc21 1657750478 RXPJTHIGIIYBQC-UHFFFAOYSA-N 412.471 1.510 30 10 HDEE C=CCN(C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1663449468 RUHYWMIOYCFZEN-JSGCOSHPSA-N 414.455 1.973 30 10 HDEE C#CC1(NS(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)CCCC1 1665164227 ZKAWBUFASRJPMA-ZWKOTPCHSA-N 406.504 1.888 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)N=[S@@](C)(=O)N(C)C 1668595304 KWWGSPHGUXFVPL-AKJBCIBTSA-N 417.553 1.468 30 10 HDEE CN1CCN(CC2CN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)C2)CC1 1670465341 CNNWFUKBHRYKPT-UHFFFAOYSA-N 402.442 1.445 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2OC(F)F)CC1 1671140236 OHBWBIHLFMIQDZ-UHFFFAOYSA-N 422.841 1.559 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H](c1ccc(OC)cc1)N1CCOCC1)C1CCOCC1 1675294593 KRFHIYHFQXQPLR-SFTDATJTSA-N 401.507 1.796 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1682377757 LFYXVEUGNPQFAU-IBGZPJMESA-N 400.523 1.041 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1683930717 JKMJXLYHSLTDJY-GOSISDBHSA-N 408.543 1.753 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1686084118 HVTRHHICDKLKPC-UWJYYQICSA-N 414.462 1.417 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1689851235 NVAGBLFGDOUPSN-HOCLYGCPSA-N 418.519 1.704 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1689988683 UMASHIMEYMBCDQ-HZPDHXFCSA-N 419.551 1.292 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1689999940 NEPRAFKTJWSLMC-HIFRSBDPSA-N 420.564 1.530 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C(C)C 1690013069 AHLBSUDWPTZJCA-LJQANCHMSA-N 418.501 1.936 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCOC 1690013722 ZUGUSRBMSFLJCR-UHFFFAOYSA-N 404.474 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1 1690044791 AHDULRDDNSSTIF-LJQANCHMSA-N 405.502 1.968 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 1690236050 HUXCAKBIGUTTQI-IAGOWNOFSA-N 418.542 1.360 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690247043 YZGFCFWBRLQUNN-QZTJIDSGSA-N 423.583 1.999 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1690497345 NUBJTFCGOPLBFJ-UHFFFAOYSA-N 404.515 1.116 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1690507858 YUNWEMHYZOOKRN-RDJZCZTQSA-N 401.467 1.993 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@H]1COCCO1 1698247982 LCJNCFXCSCXWQZ-RYLXDESZSA-N 419.526 1.938 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1705479908 QCHUCKIQSAYUBT-CYBMUJFWSA-N 402.524 1.529 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1705494359 YVLBFVOAPUCJCI-CQSZACIVSA-N 406.512 1.501 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705560798 NOAYWYVTHGTPDH-MRXNPFEDSA-N 424.567 1.134 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705569989 LOTNZGPABILNHM-GOSISDBHSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1705586845 YSZXDYYNOOVWSU-HSZRJFAPSA-N 400.486 1.901 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1705894595 DMPCZPXVPFRGPF-FQEVSTJZSA-N 408.466 1.358 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C(C)=O)C[C@@H]1C 1705904896 BPQXODORYUDLBZ-KRWDZBQOSA-N 410.522 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1C 1705936672 WDKKOJHOBHSAAX-QGZVFWFLSA-N 422.555 1.799 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1705959839 GOWWCYFBEXYWRT-KRWDZBQOSA-N 419.493 1.298 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1706611124 FOMXBZZFTLEALA-LJQANCHMSA-N 422.555 1.371 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1712454151 KFKKOITTYSTZPI-HLIPFELVSA-N 405.499 1.487 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1722320044 RSJWFWBEOGFVNR-MOPGFXCFSA-N 414.554 1.328 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1cccc(OC)c1)N(C)C 1722342100 RTWPDJYCVTULNS-LJQANCHMSA-N 410.522 1.895 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCC(=O)N(C)C 1722345570 HDTNRSWOEJTDPB-UHFFFAOYSA-N 401.467 1.519 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1722373676 LQYLCPPOWXKLQU-QFIPXVFZSA-N 415.538 1.554 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1722405107 JFXBGAUPLVUFTH-NQIIRXRSSA-N 405.543 1.499 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C(C)C)CC1 1722457688 KMZVCRNISWNOJM-UHFFFAOYSA-N 413.551 1.843 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Br 1722668537 ZUJMKKHNNMFXIF-GFCCVEGCSA-N 404.334 1.975 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1722674711 GLAAQFNYXIPEGT-OAHLLOKOSA-N 400.483 1.523 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)SC)C1 1722710357 HKXZWWKCJWSBTJ-KBPBESRZSA-N 417.601 1.811 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722712006 KNGLEJCQJMHRCX-ZWKOTPCHSA-N 411.510 1.775 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC)[C@H](C)C1 1722728934 ZXYZDCRUVRDPLP-SJORKVTESA-N 411.572 1.651 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC=C(C)C1 1729223401 XXGDAKLLKMGIQC-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1729728586 HTJIAFIHEWWVKY-UHFFFAOYSA-N 408.510 1.374 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccco1 1730946624 QDETYSGXILDFIC-UQOODKLHSA-N 419.457 1.945 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC1(O)CCOCC1 1740556603 DQUNKEULWWCGQK-OAHLLOKOSA-N 417.535 1.659 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1740570229 CPOSMJUFIXVYHR-FHWLQOOXSA-N 414.554 1.580 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1740602861 XWRZPHNRBAXRTH-CZIZESTLSA-N 406.446 1.550 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1cc(Br)cn1 1740615407 DAJUOUJEJAQYGS-ZFWWWQNUSA-N 423.315 1.731 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccnc1OC 1740631586 KKHGTLOJKVRYEM-QFIPXVFZSA-N 409.490 1.843 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1740651404 HFAASWUYZYJPBC-UHFFFAOYSA-N 412.457 1.491 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1COCCO1 1740680528 FOIUTABLHXZXQY-IBGZPJMESA-N 416.478 1.464 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](OC)C(C)C)CC1 1740698176 PZSSSKFMRGTGAW-HXUWFJFHSA-N 421.549 1.943 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2CCN(c3ccncc3)CC2)CC1 1740700047 DHFBRELJBSPDRH-UHFFFAOYSA-N 423.565 1.881 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC(N)=O 1740716838 BIEYIQLANHHXSL-PBHICJAKSA-N 415.519 1.857 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740836913 ULVOPLMJIMIHTQ-WAOWUJCRSA-N 406.527 1.873 30 10 HDEE C=CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OCC)CCOC1 1740881402 GHGBFEIVZNOROB-FQEVSTJZSA-N 407.515 1.191 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740888194 QUONIJOECMGRNR-FGTMMUONSA-N 424.567 1.636 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCN(C)C 1741128647 ZSEANZAMEZXGTJ-MRXNPFEDSA-N 414.510 1.890 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)C1CCC1 1741664979 KIKVBTCUBQWJFT-NRFANRHFSA-N 415.542 1.853 30 10 HDEE Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1742226282 GLMILNUANQQGGK-INIZCTEOSA-N 408.437 1.868 30 10 HDEE Cc1nn(C)c(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1742657859 FQEQEYHOQPZMFT-INIZCTEOSA-N 417.539 1.319 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764804 WLLDRRJUUYGQRU-LAUBAEHRSA-N 403.527 1.824 30 10 HDEE COc1ccc(OC)c(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1748857572 SIGMKYBTKDZIEW-YJBOKZPZSA-N 413.478 1.966 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1748937597 MLOYTEBXOKXKPE-UHFFFAOYSA-N 402.405 1.570 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NC)C1 1749372956 BRCFOZXPWIGCCD-INIZCTEOSA-N 402.543 1.965 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1749651447 VNCADAFFGYSUHZ-UONOGXRCSA-N 416.457 1.171 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1760179532 UITFDMNUMPHGNY-MRXNPFEDSA-N 405.524 1.107 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760187195 IRKKYARHOOCOHS-XSLAGTTESA-N 424.542 1.937 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCc2nnc(C)s2)CC1 1760259969 JEBGVZIYZQMAQO-UHFFFAOYSA-N 411.539 1.227 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1760281629 PCYUYNNRLZTFAH-MAUKXSAKSA-N 410.565 1.163 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 1760402843 WGMBBFTXEXVVIJ-INIZCTEOSA-N 423.583 1.887 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1760544091 VOGDABPBNQEDAV-SIKLNZKXSA-N 415.513 1.856 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1760689513 YWDFTQDTDKJHKY-LLVKDONJSA-N 419.291 1.708 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)C1 1761129222 BLPDYHHYSQWCLZ-QZTJIDSGSA-N 417.558 1.609 30 10 HDEE CC[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1762370379 RXRAJZFCCYBCHW-QZTJIDSGSA-N 411.510 1.800 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CC=CCC1 1766400469 FLKQWCUXXAKPIO-UHFFFAOYSA-N 422.537 1.670 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1768633311 DZBXNRSUFXNGPB-QZTJIDSGSA-N 415.519 1.725 30 10 HDEE CSCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1770614108 UJUBMIVHXTUHKC-ZDUSSCGKSA-N 406.537 1.751 30 10 HDEE COc1ccc(-c2ccc(=O)n(CCCC(=O)N3CCc4[nH]nc(C#N)c4C3)n2)cc1 1849513646 UGRIEVORCMFIEV-UHFFFAOYSA-N 418.457 1.879 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cccnc2)CC1 1851766055 NLJCCKRQOPEOSA-LJQANCHMSA-N 404.474 1.692 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CC2)n1 1852478722 UQYDABLMXZYTQL-GOSISDBHSA-N 416.445 1.174 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)N1CCN(CCC#N)CC1 1852649801 NXOGGYNFTDGMKR-KRWDZBQOSA-N 412.943 1.701 30 10 HDEE CN1CCN(C(=O)c2ccccc2C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1 1853361516 WVCXBENNYKKACF-QGZVFWFLSA-N 421.457 1.318 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCOCC2)c2ccccn2)c(C)c1 1853490822 VUOPTYMUIHCTAI-UHFFFAOYSA-N 418.519 1.687 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1=O 1853683383 WCPOKQAIXDUQKN-RTBURBONSA-N 409.490 1.423 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CCC(=O)N(C(=O)Cn3cncn3)C2)CC1 1853774208 VSYBXPKXYNSORX-GOSISDBHSA-N 406.490 1.601 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cncc3ncccc23)C1=O 1853804149 CFELRSSQDASIIN-OALUTQOASA-N 407.474 1.480 30 10 HDEE CN(C[C@H]1CCCCO1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1853971316 HIPGKOGCHLPCNO-OAHLLOKOSA-N 405.476 1.596 30 10 HDEE COc1ccc(Br)c(C(=O)O[C@H]2CON(S(=O)(=O)CC#N)C2)c1 1854120558 KEJNNNNIULXEDI-SNVBAGLBSA-N 405.226 1.084 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2sc(C)nc2C)C1=O)[C@@H]1CCN(C)C1=O 1854351752 JUQCZDBAMSBVLV-JKSUJKDBSA-N 404.536 2.000 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3c(F)cccc3F)C2)cc1 1854380344 RXPJWDKKLCVADA-CQSZACIVSA-N 408.382 1.927 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccccc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636755 HQOFOUPAGJLIHF-MRXNPFEDSA-N 411.483 1.939 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)[C@H]3CCCS3)C2=O)C1 1854881603 UEZZVSIQLZPTDC-SJLPKXTDSA-N 400.504 1.820 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cccc4c3OCCO4)[C@@H](C)C2=O)CC1=O 1854941117 OMBHKRJWNAWNDZ-RDJZCZTQSA-N 413.474 1.052 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)C(=O)C1 1855395935 HEFMGLQJUNCPQM-IAGOWNOFSA-N 419.547 1.824 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc4c(c3)CCO4)CC2)CC1=O 1855533742 YLZJTATWOILVJN-MRXNPFEDSA-N 417.487 1.311 30 10 HDEE CON(C)C(=O)C1CCN([C@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855773116 BOHWFFNFVFVEGL-SFHVURJKSA-N 413.478 1.206 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856327694 ZZKJLRRAUWQZOW-HNNXBMFYSA-N 412.519 1.221 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1=O 1856728624 MCWQEQPQFZXDTD-MOPGFXCFSA-N 414.506 1.719 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COCc2ccccc2)C1)[C@H]1CCN(C)C1=O 1857097687 ZHJQXTQNCZGXBZ-PMACEKPBSA-N 413.518 1.687 30 10 HDEE CC(=O)CCC(=O)N1C[C@H](CN2CCC(COc3ncccc3C#N)CC2)CC1=O 1857143792 FBLMTLMGRMQMCC-SFHVURJKSA-N 412.490 1.788 30 10 HDEE Cc1cc(C)n(C[C@@H](C)C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)n1 1857150713 LQWGKIGBROPAQL-VQIMIIECSA-N 400.527 1.185 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)CC1 1857211975 DXZXSDWYSVDHKZ-PKOBYXMFSA-N 412.490 1.864 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCC(N4CCCC4=O)CC3)C2=O)ccn1 1857245095 VJOPSVDOVKOXTC-LJQANCHMSA-N 409.490 1.561 30 10 HDEE CN(Cc1cnn(C)c1)[C@H]1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1857275609 JOYFJLMNVPOIPT-PMACEKPBSA-N 406.490 1.239 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@@H](Oc4ncccn4)C3)C2=O)cc1C#N 1857439642 RIOCFYURAYHWNA-MOPGFXCFSA-N 405.458 1.941 30 10 HDEE COCCNS(=O)(=O)c1ccc(CCN=c2[nH]cc3c(c2C#N)CCCC3)cc1 1859510981 IOFFCRHYHIHJIU-UHFFFAOYSA-N 414.531 1.833 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H]3CC(=O)N(C(C)C)C3)sc2c1 1865926551 IPXIWTQVKXMCBX-LBPRGKRZSA-N 422.532 1.956 30 10 HDEE CC(C)(C)OC(=O)NCCn1cnc(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1880980438 RNUXAFMJFXDRSD-UHFFFAOYSA-N 400.391 1.776 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@@H]3CN(c4ccc(C5CC5)nn4)C[C@@H]3C2)cs1 1889591321 VKVPRRYWYRLQMP-GASCZTMLSA-N 424.530 1.935 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)c2cc([N+](=O)[O-])c(=O)n(C)c2)c1 1891067100 NITJKXFPYQIDAJ-UHFFFAOYSA-N 412.446 1.952 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C2)CC1 1964016637 DHDSOYLBZWBBPA-SNVBAGLBSA-N 403.373 1.740 30 10 HDEE CC#CC[C@H](NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984841274 XKZRHNTUHBBWTH-ZWKOTPCHSA-N 417.506 1.995 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NCc2occc2B2OC(C)(C)C(C)(C)O2)[nH][nH]1 2011844092 RNDBOIBNTXXJDB-UHFFFAOYSA-N 419.291 1.756 30 10 HDEE N#Cc1cc(Br)ccc1N1C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C1 2118195798 ZHNOIFDPDLKWIX-ONGXEEELSA-N 419.201 1.679 30 10 HDEE Cn1ncc(Br)c1Cn1cc(Br)cc(C(N)=NO)c1=O 2143621673 VDCYPFNWOCKRMD-UHFFFAOYSA-N 405.050 1.250 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@](C)(CO)C1 2174782362 PPWFXLCZYDJFOK-QGZVFWFLSA-N 401.529 1.704 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2183272426 SWYCJPZUOXSTKX-HUUCEWRRSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243401260 OOROWQFYQVFZDV-KGLIPLIRSA-N 403.288 1.776 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)(C(=O)O)C1 2243423836 GQJDWGGJNBQWOR-UHFFFAOYSA-N 410.276 1.803 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CO1 2243677724 ZKKOQMILAQBSQQ-LSDHHAIUSA-N 408.304 1.667 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C 2247823787 RKUZWEHNINCGSQ-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247856295 HHTADLZTITYHRT-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCC(=O)NCc1ccccc1 2248969928 KSESOKKKIREMEO-UHFFFAOYSA-N 409.295 1.735 30 10 HDEE Cn1ncc(C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)c1B1OC(C)(C)C(C)(C)O1 2255824724 NIPBQBFQHXGPLJ-QZTJIDSGSA-N 422.338 1.580 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2267469602 YGSHABUMIFGIBP-DEOSSOPVSA-N 407.388 1.321 30 10 HDEE CC1(C)OB(c2cnc(-n3nc([N+](=O)[O-])nc3Br)c(F)c2)OC1(C)C 2268978027 AQVZWLPLCAKZQU-UHFFFAOYSA-N 414.000 1.771 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@]2(C)CO)sc1B1OC(C)(C)C(C)(C)O1 2282316955 KDLVOFNRQZMOMZ-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE CC[C@]1(O)CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282319133 PBUZCXVORVSWCP-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE CCNC1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282331477 NZJCYMJDZUDXRC-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N1C 2282331544 OWUWBJHAINDIKA-OCCSQVGLSA-N 400.375 1.808 30 10 HDEE C[C@@H]1OCCO[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337899 KGMBNZDJKPSJRE-WCQYABFASA-N 403.331 1.130 30 10 HDEE COc1nscc1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339228 XGKNFUUARDJDIP-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4[C@H](C3=O)C4(F)F)s2)OC1(C)C 2282347445 YGWTXPJCFLCVKU-LDYMZIIASA-N 405.253 1.460 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@]1(C)CO 2282348187 IKBMTCADMFCLIU-SJKOYZFVSA-N 401.359 1.686 30 10 HDEE CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282418656 PJHRZFKSSACIMM-VIFPVBQESA-N 402.347 1.077 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCOC3=O)ccc2Cl)OC1(C)C 2282500957 QCBKHVYQCGHZFU-ZDUSSCGKSA-N 401.677 1.233 30 10 HDEE CNC1(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282851942 JLUCRCSBCNKAJW-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1C 2282860999 JEUFEIAKRWYRCY-OLZOCXBDSA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H](CN)C3)ccc2Cl)OC1(C)C 2282882009 GDNGNMNSRDLRHM-GFCCVEGCSA-N 400.737 1.609 30 10 HDEE CCn1c(N2CCOCC2)c(C=C2SC(=S)N(C)C2=O)c(C)c(C#N)c1=O 2296348795 KGBNWQNJYAJNNC-UHFFFAOYSA-N 404.517 1.716 30 10 HDEE Nc1cc(Br)c(S(=O)(=O)NCCC#CCO)c(Br)c1 2343622126 MRISKNSNTWMLTC-UHFFFAOYSA-N 412.103 1.458 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@H](O)c1nn(C)cc1I 2363524773 FXEZBZVJQCASSE-MFKMUULPSA-N 402.261 1.544 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365176596 RFAPDIGHSWOEAC-FXUDXRNXSA-N 401.525 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365209816 GUVCGJFFIUUKQE-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCN1C(=O)OC(C)(C)C 2365210142 JLDIIDZOSRVHPM-OWCLPIDISA-N 402.557 1.552 30 10 HDEE CO[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367785280 RFFXVZWWDITFGI-HNAYVOBHSA-N 400.541 1.701 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367785470 DTBQLWMTFKBXTN-CVEARBPZSA-N 401.525 1.590 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)C1COC1 2367804836 XAXVTSJWOYESIU-HZPDHXFCSA-N 400.541 1.475 30 10 HDEE N#C[C@@H]1CN([C@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 2372874833 CQBIPMKMWSLVLZ-DENIHFKCSA-N 412.490 1.915 30 10 HDEE CC(=O)N1CCN(C(=O)Cc2cc(=O)[nH]c(SCc3ccc(C#N)cc3)n2)CC1 23243341 IFNALYYNVXMBQQ-UHFFFAOYSA-N 411.487 1.167 30 10 HDEE N/C(=N\O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(Br)s2)CCO1 148395121 NAGABYCWGWEICO-ZCFIWIBFSA-N 404.695 1.300 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 238895160 QYXSZEGKFJUNRU-OAHLLOKOSA-N 400.460 1.582 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccccc2)C(C)(C)CO)CC1 437623782 LLOIGGZFQPMJRL-IBGZPJMESA-N 402.539 1.418 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@@H]2C(=O)OC 440223828 DJEBWYDTEIDQJM-UOVPBQLFSA-N 402.447 1.886 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1 440581638 DSOONKNXQUYTCA-INIZCTEOSA-N 412.490 1.519 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 465183875 LZGIETPWQOWXTJ-WBVHZDCISA-N 405.462 1.374 30 10 HDEE N#C[C@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(F)cc1 479320703 VPIVWRPTZWXPFU-ICSRJNTNSA-N 406.417 1.982 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)NCCOc1ccc(C#N)cc1 503445935 IBNVXEKGISGOKX-UHFFFAOYSA-N 401.488 1.702 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508856279 KODHVCXHXMKQMF-KRWDZBQOSA-N 423.525 1.723 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)cc1 530534135 ZVFSEISBXSJJGH-UHFFFAOYSA-N 421.500 1.438 30 10 HDEE CO[C@H](C)c1noc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)n1 540551722 QKPYVQHQJBMEBA-CABCVRRESA-N 418.523 1.679 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2)c1 542598770 TZYNMPXQMXXCBV-GOSISDBHSA-N 406.442 1.832 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 549790276 SFPNWECWWZARFJ-CRAIPNDOSA-N 401.463 1.579 30 10 HDEE C=CCn1c(Cc2noc(-c3ccc(N(C)C(C)=O)cc3)n2)nnc1N1CCOCC1 566763475 KWMXNBQEGRBFNK-UHFFFAOYSA-N 423.477 1.924 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)CCC1 573762954 CPDACDRGSSAKTE-HXUWFJFHSA-N 402.564 1.902 30 10 HDEE N#Cc1cc(F)c(N2CCN(CC(=O)N3CCOCC3)CC2)cc1Br 573959863 WEFFIJFUCMVUOA-UHFFFAOYSA-N 411.275 1.441 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(CO)CC4(CCC4)C3)C2=O)cc1 577465124 OWFKDPWVQMDAIN-QGZVFWFLSA-N 410.474 1.822 30 10 HDEE C=CCOCCNC(=O)NCC(=O)Nc1ccc(I)cc1 585745622 BUVRLCVUJYOKHC-UHFFFAOYSA-N 403.220 1.732 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 612669417 DZMFBRAXXNPJRE-UHFFFAOYSA-N 412.600 1.960 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1cccc(CC#N)c1)c1ccc(OC)cc1OC 619497301 FDNGNAMKZWZOMK-GOSISDBHSA-N 404.444 1.962 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)CSc1ccc(C#N)cc1)c(=O)n2C 728676699 YGDPSAHWMAQJOO-UHFFFAOYSA-N 413.459 1.031 30 10 HDEE C#CCN(C(=O)C[C@](O)(c1nc(C)cs1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 729335829 VEVUJFRBTGDNQR-RISCZKNCSA-N 410.439 1.240 30 10 HDEE C#CCN(C(=O)CN1CC(=O)NC1=O)[C@H]1CCOc2ccc(Br)cc21 736093621 XLUNZAUSJXUCEZ-ZDUSSCGKSA-N 406.236 1.286 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)CC1 743178709 IMBHCTCRORWWEI-KRWDZBQOSA-N 401.511 1.363 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1C(=O)NC[C@@H]1CCCO1 746104880 HILMRHGJPQPLIE-MPHHAOFMSA-N 412.446 1.450 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 751730281 ZLHGJNYKPZEQNG-VIFPVBQESA-N 408.336 1.614 30 10 HDEE C[C@@]1(C#N)CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 753159552 DBBIXTKVQDTSRY-PXNSSMCTSA-N 421.519 1.868 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cc(C(=O)O)cc(F)c2F)cn1 763380372 CPHXQYXELFZWFI-UHFFFAOYSA-N 405.342 1.916 30 10 HDEE C#CCN(C(=O)NCCOc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 774187318 MAVPCOHPUVBEEQ-CQSZACIVSA-N 415.309 1.660 30 10 HDEE C#C[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)[C@H]1CCCO1 775334487 ZTCOFYFYYYESGB-DZGCQCFKSA-N 407.264 1.862 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781662114 WLNOTXIXDKWURK-UHFFFAOYSA-N 421.522 1.826 30 10 HDEE Cc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 782846186 OJCVJIUYFJTAMQ-CQSZACIVSA-N 417.487 1.822 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccsc1 790434735 UNWZFDGYGILZGR-UHFFFAOYSA-N 415.496 1.209 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 796698056 RQAQNAUPMVNHHO-ZSHCYNCHSA-N 405.476 1.617 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 804455539 IJXKQMIKTIEBKY-DSKINZAPSA-N 414.527 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)[C@H](C#N)C1 807109957 OHVAAFDKLKLGTB-VXGBXAGGSA-N 419.404 1.162 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)CC2)cc1Br 816087634 GWMMIJGEAIALEX-MRVPVSSYSA-N 418.244 1.181 30 10 HDEE CCn1cc(C=NNc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 1084087729 SMGDNZWJOADELH-UHFFFAOYSA-N 414.495 1.884 30 10 HDEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3nncs3)n[nH]2)cn1 1084175245 LVFSCROLKUSYOU-UHFFFAOYSA-N 422.500 1.066 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CCCN3C(=O)NC(C)(C)C3=O)c2C#N)C1 1131403498 UGWYIAXUXBQEFG-UHFFFAOYSA-N 417.491 1.573 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CCOCC1 1133710306 WSLBHPFNIMOSLE-UHFFFAOYSA-N 420.531 1.785 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(C)Cc3cc(C#N)cs3)cc2S1(=O)=O 1134468275 JWLOWHAUSINBAE-UHFFFAOYSA-N 419.484 1.683 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)s1 1136575549 ZSGOJBKCWACDSL-MRXNPFEDSA-N 410.565 1.447 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1138382358 BQIIIZQHCFQTJY-QGZVFWFLSA-N 408.543 1.565 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1)c1cc[nH]n1 1141806837 TUWZDKDVFOIAQC-MRXNPFEDSA-N 416.434 1.890 30 10 HDEE C[C@@H](CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nn[nH]n1 1153676086 KQCOOXBOQKTURM-PNBPBRNGSA-N 403.487 1.548 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H]1CCCN(C(=O)OCC)C1)c1cc[nH]n1 1154769672 QULROVPTWAGHCA-UONOGXRCSA-N 423.470 1.067 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CC[C@@H](O)[C@H]2C1 1155316380 GMAGUMKDGYIIMS-BSWAZPDLSA-N 405.520 1.513 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)c2C1 1156248048 XBCPNRVFEGYZGI-FUHWJXTLSA-N 421.505 1.565 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(CCC)s2)CC1 1157009420 MMKSWCKELGGEFN-UHFFFAOYSA-N 412.353 1.970 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1163025929 DWFWNBBUZBERPI-MJGOQNOKSA-N 420.531 1.978 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC(=O)N3CCOc4ccccc43)CC2=O)cc1 1177823887 YDMXPNJUHKRLIY-MRXNPFEDSA-N 404.426 1.453 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OC 1177964084 ACDWTSZFGHTZRU-BPQIPLTHSA-N 406.454 1.344 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ccc4c(c3)OC(F)(F)O4)C2)c(=O)nc1O 1181000426 NUKGMIQMBBHNQP-UHFFFAOYSA-N 404.329 1.158 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)ccc2c1=O 1184416403 NMMAVTGXNQHEMN-ZWKOTPCHSA-N 414.531 1.542 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)c(F)cc2C)CC1 1205953518 BQUQCLBFVMAQIZ-UHFFFAOYSA-N 422.404 1.770 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)Cc2c(OC)cc(OC)cc2OC)CC1 1228616841 DBSFCMMGDINNEU-HNNXBMFYSA-N 417.506 1.814 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 1233852752 MBQBFHOYFPFCMC-LSDHHAIUSA-N 408.499 1.366 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)Cc1cc(C#N)cs1 1248591775 ZCBPNYVPCWNJKV-UHFFFAOYSA-N 413.503 1.536 30 10 HDEE CC(C)(CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)Oc1cc(F)cc(F)c1 1248617442 ZYWHEKBWMTYPPF-UHFFFAOYSA-N 419.388 1.523 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3c(F)cccc3-n3cccn3)C[C@H]1CS(=O)(=O)C2 1251148376 BQDHUYYQYCYSRQ-UGSOOPFHSA-N 403.439 1.091 30 10 HDEE Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc(Br)c1C#N 1276706333 OKPSLMSNLAGBHP-RRCSTGOVSA-N 418.247 1.730 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1286278688 PPWLCTYJESESEY-JKSUJKDBSA-N 415.469 1.874 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CCOc1ccc(S(C)(=O)=O)cc1 1286379941 FDJCYPLORUSSIN-QGZVFWFLSA-N 404.492 1.682 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1286444197 SCKDWHHGCBWOGA-OAHLLOKOSA-N 413.478 1.763 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(C)CCOCC2)CC1 1286493676 FUQYSKPNNWSBCU-GOSISDBHSA-N 415.538 1.912 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1286509832 DHWPYTZUUJASNG-MRXNPFEDSA-N 413.503 1.961 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)Nc1c(C)cccc1C 1286713311 DJBPNXJGCOIMRR-OAHLLOKOSA-N 420.539 1.766 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1286776629 NIOPQXFSHPTEBE-HNNXBMFYSA-N 414.514 1.415 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC(C)C)C1 1286782496 WRYGHSDJWGBKFQ-LJQANCHMSA-N 424.505 1.749 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C1CCN(C)CC1 1289195341 JERYPUOIIZWVJS-UHFFFAOYSA-N 409.446 1.619 30 10 HDEE CCC[C@@](C)(O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1293833178 BPTQGSDELLPYSQ-AUUYWEPGSA-N 418.523 1.549 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CNC(=O)CNC(=O)OC(C)(C)C 1296303186 HOIXDDOWSDOXIF-UHFFFAOYSA-N 406.439 1.163 30 10 HDEE Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1298831007 DELNWRRHLJIDBT-TZIWHRDSSA-N 424.526 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1300276012 FAOPTHMGUWISRT-SNVBAGLBSA-N 404.276 1.076 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1300290337 MNWWAOKDVSSSNK-CQSZACIVSA-N 421.461 1.327 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1300337275 XXRIKKLQYBLYGI-UHFFFAOYSA-N 423.521 1.577 30 10 HDEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300339613 PSHBUTUYQGHPQZ-QGZVFWFLSA-N 402.543 1.768 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1300430930 QSZZEJZNVDDFEA-OAHLLOKOSA-N 403.508 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1300509913 YZNPGBUSUHAUOQ-MRXNPFEDSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1300574568 DBSRTSRODRKHKC-XMSQKQJNSA-N 406.490 1.926 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1300579859 YMAQOOJNHQXWJR-MSOLQXFVSA-N 405.506 1.775 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1300741364 UWVQDYYGUMBESQ-UHFFFAOYSA-N 404.584 1.524 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300885675 RTZQNPSFQNELTL-NMLBUPMWSA-N 419.570 1.920 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCc3ccccc3-n3ccnc32)cc1 1301116333 LMNPKFWKIDEBNM-GOSISDBHSA-N 421.482 1.826 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CC)c2)CC1 1301123891 FNNGIWBEWPZKMM-QGZVFWFLSA-N 404.540 1.847 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301137166 MDACJRLLZYTIJQ-HNNXBMFYSA-N 403.531 1.575 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C[C@H]2CCOC2)C1 1301499132 YKCSFXIVHIAPOZ-ZACQAIPSSA-N 416.526 1.174 30 10 HDEE Cc1nnsc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1304115490 DPJSMGGONAJPTB-AWEZNQCLSA-N 421.552 1.519 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H](C(=O)OC)c2cccc(C#N)c2)CCO1 1307968040 SSEYDWJRFWXXJB-LAUBAEHRSA-N 404.463 1.831 30 10 HDEE NC(=O)C1(N2CCCCC2)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1308041754 XUJXWKQIGZJWRS-UHFFFAOYSA-N 408.502 1.092 30 10 HDEE COc1cnc([C@H]2CCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1O 1308143327 YZQJMQJVMBEBND-HZPDHXFCSA-N 402.499 1.020 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2Br)CC1 1310421984 XYNVFRHWJDWNCI-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1 1312731865 XWZPEVBSCAKJDT-MOPGFXCFSA-N 404.486 1.616 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1313439813 SYQKAOUQRBETDT-MRXNPFEDSA-N 402.461 1.774 30 10 HDEE CS(=O)(=O)c1ccc(OCCn2c(C3CC3)nnc2N2CCO[C@H](C#N)C2)cc1 1316335019 FFKXOPILZGJGIL-MRXNPFEDSA-N 417.491 1.367 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1358871251 BVQJCIJLPLGJEH-RRFJBIMHSA-N 423.514 1.953 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@H]1CO 1358937396 UAKUETWXHAJAIP-FQEVSTJZSA-N 424.549 1.491 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1C[C@H](C)C[C@@H](C)C1 1358939576 ZHROUSQYIJUUFF-KURKYZTESA-N 424.615 1.716 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1358961504 ADEKRXFUDHVGTE-ABSDTBQOSA-N 422.551 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CCCN(CC)S(C)(=O)=O 1358998888 WNNYAYOTYXKLEC-QGZVFWFLSA-N 407.540 1.264 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCCC2)CC1 1359028280 MUYRFECTQVNLBB-UHFFFAOYSA-N 401.559 1.046 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1359034116 DCKAJRRWJPQNHT-UHFFFAOYSA-N 400.571 1.800 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1359045007 UHCCEDAKDUZEHP-UHFFFAOYSA-N 421.567 1.335 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1359068823 PXAYTRUTYMFYQJ-LSGABVIPSA-N 419.489 1.802 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1359286802 SIHMCDMKVMTQHL-GOSISDBHSA-N 401.559 1.410 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N2CCCC2=O)CC1 1359299148 WTAGGBQBBXTXMI-UHFFFAOYSA-N 423.521 1.542 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1359299855 OKVGKPJDXOWCAR-HNNXBMFYSA-N 415.498 1.932 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1359332562 AOKSOGRYMSYVRI-MRXNPFEDSA-N 407.544 1.491 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1360236825 QFMVFQPPUXZUCT-NEPJUHHUSA-N 406.405 1.853 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCN(C)C1 1360477767 ASZSWBLHIDZPKN-VBKZILBWSA-N 404.465 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)Nc2ccccc2)s1 1443767853 IDXIUUUXUZHXGW-CYBMUJFWSA-N 407.517 1.898 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 1448081417 REYJTBFJMGNIFX-CQSZACIVSA-N 416.421 1.624 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)cc1 1452757622 PGCFCBIVYNLRCX-BQFCYCMXSA-N 424.519 1.628 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)cc1 1456024764 GAGBTHCRLRCVPG-LJQANCHMSA-N 414.483 1.759 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1=O 1458929909 BHXTYKFYDYODQM-NRFANRHFSA-N 424.482 1.966 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2nc(C(F)(F)F)c3c2CCC3)n1 1459755729 BJIDFRFRNFMTQE-UHFFFAOYSA-N 409.412 1.896 30 10 HDEE COC[C@]1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460566969 HSPAHAHQSGKFHO-FPOVZHCZSA-N 404.486 1.272 30 10 HDEE Cc1c(Br)ccc(F)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462999284 QVFVDNZVMUBELF-BONVTDFDSA-N 401.257 1.907 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 1463689871 GVGGWQIZQUMSLT-KRWDZBQOSA-N 419.503 1.400 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1465334154 YFAMMCMIVQIFJU-BUVGWWEQSA-N 417.535 1.719 30 10 HDEE CN1CCOC[C@H]1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1471077333 KMOBFPOTWIVVGS-MRXNPFEDSA-N 415.473 1.028 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C(=O)OCC 1471118364 NFBGLAPGWRAUEG-GFCCVEGCSA-N 414.871 1.032 30 10 HDEE O=C(CN1CC[C@@H](c2cc(O)nc(O)n2)C1)NCC#Cc1cccc(C(F)(F)F)c1 1473601069 DWSOLCUIXIBXQR-CQSZACIVSA-N 420.391 1.864 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1475187901 CDGBCHGILUSBHM-MRXNPFEDSA-N 404.517 1.981 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507592124 PYTPZNROUWXJFM-ZWKOTPCHSA-N 401.511 1.413 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCN1CCN(C(C)=O)CC1 1507618766 PSCBFHKMJLXKGU-UHFFFAOYSA-N 424.549 1.653 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1507637457 KGTPTHORLAOFTE-LSDHHAIUSA-N 410.565 1.652 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1507707113 SFILUZAVUODIDQ-UHFFFAOYSA-N 415.457 1.445 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507752429 XCNVAODKKFGLLK-UHFFFAOYSA-N 410.551 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@@H]1C 1507809873 XSFNJBNCJARVRU-FJIDUMEYSA-N 421.542 1.650 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1507844083 BSSXJLIURGONQJ-SJORKVTESA-N 411.572 1.303 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507844772 PGDNTNHAFCPKJG-FXAWDEMLSA-N 424.567 1.780 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)CC1 1507902950 QMCFYGFFBZALMO-KRWDZBQOSA-N 404.540 1.869 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)cc1 1508070805 DGXJFAJXRBMACX-UHFFFAOYSA-N 400.458 1.592 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CCC2)CC1 1508084904 QIPAVGPPOBGZOZ-UHFFFAOYSA-N 400.552 1.907 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2F)C1 1508111173 WYLZEKIPMFRRAT-GDBMZVCRSA-N 423.514 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccn(CC)c2=O)C1 1508126220 TYZOIGGMPOYNEI-IAGOWNOFSA-N 412.494 1.240 30 10 HDEE COC[C@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1518765288 MQSPUAQRPXWHKQ-SJLPKXTDSA-N 416.505 1.301 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1519276052 HNCFGJPJCQINLB-AUUYWEPGSA-N 420.493 1.839 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC2CC2)C1 1521069283 HSNHIYQIZZPVGD-LJQANCHMSA-N 418.498 1.531 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1521090114 PUDJVNRKYVFWJP-MJGOQNOKSA-N 424.505 1.714 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCOC(F)F)CCN1C1CC1 1521129349 KZSYAWKUPHEQDM-AWEZNQCLSA-N 404.425 1.541 30 10 HDEE CN1CCC(CNC(=O)C#Cc2ccc(C(F)(F)F)cc2)(N2CCOCC2)CC1 1528551124 MJVXURKIPBADMH-UHFFFAOYSA-N 409.452 1.970 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)nn1C 1529919387 CKYPCIUMXRLVHK-UHFFFAOYSA-N 407.427 1.013 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)C(=O)NC 1539200532 KDQINTZUNIKIHZ-GASCZTMLSA-N 418.542 1.890 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1539224541 HZEZQDNCUSIUHE-ROUUACIJSA-N 422.551 1.053 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1539343213 HGOGDUWMDNDTBV-JKSUJKDBSA-N 417.535 1.914 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1539361669 ANFRRAGJMFYBMZ-AWEZNQCLSA-N 411.453 1.520 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1539370455 WIFGSZCNCZWZHA-QGZVFWFLSA-N 404.540 1.625 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1(S(C)(=O)=O)CCC1 1539403312 QPGSFSVACVCJOU-UHFFFAOYSA-N 406.508 1.900 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)cc1 1539409087 NTCPSIWEVTUSEV-UHFFFAOYSA-N 407.478 1.771 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1539416926 VEECGROBGSOJPA-QGZVFWFLSA-N 418.519 1.323 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccccc2CN2CC[C@H](O)C2)CC1 1539430671 KSHFXWFLZZJKIF-QFIPXVFZSA-N 422.577 1.772 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1539432672 OZDQPJMHSMVWNV-HNNXBMFYSA-N 417.329 1.273 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1539441823 WFDIGCJBALJEDJ-UHFFFAOYSA-N 401.478 1.241 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539611832 FIWBWGYNUYUSND-PMPSAXMXSA-N 418.498 1.038 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOC 1539631313 KRQVYWIJHJEAQY-ULQDDVLXSA-N 412.556 1.634 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@@H]1C 1539735310 IQAHYKKYUSYXHF-HNNXBMFYSA-N 413.478 1.933 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1ccc(O)cc1 1541927302 HWVMUCGYDHPTGY-FZKQIMNGSA-N 422.486 1.279 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1 1542973704 WRQJASJOSUFRJA-KRWDZBQOSA-N 415.943 1.136 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1545826526 PAOSKJOZWDDTEK-SPLOXXLWSA-N 415.542 1.946 30 10 HDEE CCc1nnc(N(CCCOC)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1546440645 YEKKHGDPCZWYMH-CQSZACIVSA-N 407.496 1.383 30 10 HDEE COC[C@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)N(C)C 1548401380 GQUJJWUOEZLPPL-CQSZACIVSA-N 406.430 1.520 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@@H](N(C)C)C1(C)C 1557154685 JYDJCNCQWNEQGH-CGTJXYLNSA-N 420.579 1.985 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)N(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1557369591 BSMMKPKZBYYHAG-UHFFFAOYSA-N 401.316 1.734 30 10 HDEE N#Cc1cccc(ONC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 1557921169 OMCKUJGESCDIPK-UHFFFAOYSA-N 405.407 1.442 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1558675797 PIFRFKICJQJUDH-UHFFFAOYSA-N 404.517 1.580 30 10 HDEE C#CC1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1559938635 QJCCQSPBVZKZJO-UHFFFAOYSA-N 419.547 1.616 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531419 SBAVYEWTTIBSJZ-SOUVJXGZSA-N 408.503 1.239 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](NS(C)(=O)=O)C1)c1ccc(Br)cc1 1564999878 PKFYYJDKEVFGFJ-LSDHHAIUSA-N 414.325 1.847 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 1569417088 GEKHPLUMWGMVTM-LBPRGKRZSA-N 405.480 1.775 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CCCOC1 1587302979 NANRCOKRNLGOQZ-IERDGZPVSA-N 403.454 2.000 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1OC 1587909505 MKAPISRCHLRFGA-HUUCEWRRSA-N 421.523 1.434 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1588046067 WNAOHYDHECGNPL-QGZVFWFLSA-N 402.520 1.917 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588073697 BQMJPELBFQWVTA-ZWKOTPCHSA-N 423.583 1.487 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1588387119 RNNXWHXOZVVQOH-GOSISDBHSA-N 407.584 1.762 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1593741725 WDTMQLAQWFUEAC-CABCVRRESA-N 400.487 1.292 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1594807068 CQKZPRSOTMAQMS-DLRJPAPCSA-N 419.526 1.595 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1594813758 YNKFTYVNOCOPLH-GOSISDBHSA-N 401.515 1.883 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCS(=O)(=O)CC2)C1 1595713881 GVXWKCKLHHTUMT-MRXNPFEDSA-N 405.524 1.879 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CC(OCC)C2)C1 1595737674 GDICGWYXPBYOSC-FLPIEVNYSA-N 413.522 1.975 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(COC)CC1 1595785199 ULXJGPDIMYKXIN-UHFFFAOYSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccco1 1595789509 VFIYEMHIMPIYKU-GJZGRUSLSA-N 419.507 1.765 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1597166722 SSCHCDIZNWMTJE-CJNGLKHVSA-N 402.875 1.903 30 10 HDEE N#C[C@]12CN(C(=O)c3c[nH]c4ncc(Br)cc34)C[C@H]1CS(=O)(=O)C2 1598568383 UKKVLSKJDKRIDZ-BJOHPYRUSA-N 409.265 1.336 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1613549162 JWBKLJBSEUGJTG-CYBMUJFWSA-N 414.466 1.709 30 10 HDEE CCC[C@@](C)(O)Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1614344271 CVUZUUMNMHVOCR-OAQYLSRUSA-N 413.526 1.959 30 10 HDEE CCCNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1614961035 DXRDTGFKHQYBKO-KRWDZBQOSA-N 409.494 1.654 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1618632720 DSBCIEMGKSDJKZ-LDJQZATESA-N 424.505 1.319 30 10 HDEE COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1619904607 HVFOESMDYAVKNR-UPVQGACJSA-N 424.545 1.715 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1620149450 FJPVBAFBMZVXQT-OAHLLOKOSA-N 419.482 1.314 30 10 HDEE COCCc1noc(CN(C)S(=O)(=O)c2ccc(Br)c(C#N)c2)n1 1621920819 BZUQHHBYVKZTSL-UHFFFAOYSA-N 415.269 1.713 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)c1 1624386134 HJUZOCAOUXXRHT-UHFFFAOYSA-N 404.467 1.647 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1ccc(NCCN2CCOCC2)c(F)c1 1625769967 HKJFMEGNDMFNMU-UHFFFAOYSA-N 412.469 1.678 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 1629301446 HUJMTFTUCRPQBD-DHSIGJKJSA-N 419.576 1.994 30 10 HDEE Cc1nc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c(=O)[nH]c1C 1632254079 YDTLGOBSDKMYHV-UHFFFAOYSA-N 403.446 1.611 30 10 HDEE C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1632888389 UPWMBADIOWACNT-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ncc(C#N)cc3Cl)CC2)cc1 1633332265 GIIZPVITMDAHGM-UHFFFAOYSA-N 419.894 1.477 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1633459356 RMZGKJCAIGLVOP-DILDSAGESA-N 406.527 1.298 30 10 HDEE C#CCCN(CCOC)C(=O)c1cccc(NC(=O)CSc2nncn2C)c1 1633827832 KUUKFWAUYYFOFA-UHFFFAOYSA-N 401.492 1.658 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1636464599 OZMGQGFCQZESCZ-MGPWXQLLSA-N 422.482 1.045 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)s1 1638364293 GIELFUAEJLEBDV-UKIBZPOASA-N 420.556 1.964 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1CCOCC1 1640925784 QTVSEGNIVLIFFR-SZMVWBNQSA-N 407.555 1.757 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3cccc(F)c3F)CC2)C1=O 1642550872 PKXOWLMDKVKTHX-UHFFFAOYSA-N 405.401 1.723 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1642761142 GFRCNVKIXLOLAC-GFCCVEGCSA-N 408.398 1.408 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCc3nnnn3CC2)C1 1643035803 ZKIVERDIWSIVDC-CQSZACIVSA-N 416.283 1.265 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1643561916 BUSZDKFZOJBRLQ-FQEVSTJZSA-N 417.575 1.872 30 10 HDEE CN(C)C(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1644508848 NCPRJVBNMPNXSJ-TZQQIIETSA-N 419.526 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCCC#C[Si](C)(C)C)C1 1645187465 MNHRJRJYEJBSPS-HNNXBMFYSA-N 416.616 1.798 30 10 HDEE O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC[C@@H](O)C(F)(F)C(F)(F)F 1650957537 DLFTXXCCJWXYHE-SECBINFHSA-N 411.295 1.900 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H](CCNC(=O)C(F)(F)F)c3ccccc32)c(C#N)c1=O 1651346296 ZSGYAJKMSWUVPL-SNVBAGLBSA-N 407.352 1.249 30 10 HDEE CCCCn1c(N)c(N(C(=O)CN2CC[C@](C)(C#N)C2)C2CCCC2)c(O)nc1=O 1659525252 WMRHDFLRYVGZBK-OAQYLSRUSA-N 416.526 1.842 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)noc2-c2ccccc2)CC1 1660612923 LHNWWGDXRDRUPL-UHFFFAOYSA-N 403.464 1.267 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)c1 1662689845 NATZFHYHVOYVKA-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)Cc2cnc(CC)n2S(=O)(=O)N(C)C)c1 1663850784 RNYXZWZLANBMEW-UHFFFAOYSA-N 403.508 1.152 30 10 HDEE C#CC[C@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)C(=O)OC 1664368433 XAGCWIAJWRPJKR-NSHDSACASA-N 404.238 1.162 30 10 HDEE C#CC1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1664642563 QFVGHTUTGSGKTG-IBGZPJMESA-N 406.504 1.699 30 10 HDEE C#CCC1(NS(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)CCOCC1 1665589971 DBXXTYQICOAPQX-UHFFFAOYSA-N 418.519 1.942 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 1666603637 GVQYQXGSFVKKHN-CQSZACIVSA-N 418.562 1.017 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 1671184650 KEUSBPZREJQPSV-HFTRVMKXSA-N 419.478 1.707 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCOC2CCOCC2)CC1 1676298249 FPVPTTJQBHRIOX-UHFFFAOYSA-N 415.450 1.833 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H](C[C@@H]3CCOC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1680708772 GBVGBELYLGYXDL-BOLBYERCSA-N 403.504 1.734 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)cc1 1682657074 PYKDLYYIQGPTQU-MHZLTWQESA-N 402.442 1.696 30 10 HDEE N#C[C@H]1CN(C(=O)NCCCS(=O)(=O)c2ccc(Cl)cc2)CCN1C1CC1 1682811199 CAMDBMZYTLTQBK-INIZCTEOSA-N 410.927 1.886 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1683027550 VMZNDXNJFHMNRY-CQSZACIVSA-N 400.512 1.682 30 10 HDEE C#CCN(C(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1683096594 RZDOXEBFKRGRBL-BZUAXINKSA-N 413.540 1.654 30 10 HDEE N#C[C@@]12CN(C(=O)NCCSCc3ccnc(Cl)c3)C[C@H]1CS(=O)(=O)C2 1686070281 DZSGRTOGRADARI-BBRMVZONSA-N 414.940 1.548 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2cccc(OC)c2)no1)[C@@H]1CCS(=O)(=O)C1 1687710676 NVNOSGNDNBPILN-OAHLLOKOSA-N 403.460 1.682 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1689983802 HUDXMSWKCLKRAP-QGZVFWFLSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1689989923 JUKCNDJKSNDKBO-KRWDZBQOSA-N 418.567 1.699 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1689996547 JPTWFPIBKSVLIJ-HNNXBMFYSA-N 424.473 1.768 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[S@@](=O)C(C)(C)C 1690052343 GQQFTEZTIRRICZ-MUUNZHRXSA-N 403.552 1.411 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN(C)[C@@H](C)CC)CC1 1690150852 XXIWFQIYKSWGLP-KRWDZBQOSA-N 400.571 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2ccnn2)CC1 1690664247 MGHZAXIHCHVEOT-UHFFFAOYSA-N 410.482 1.657 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690720060 ZFFYGTISIDPWTI-AWEZNQCLSA-N 421.523 1.504 30 10 HDEE CC(=O)NCCCn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1690968406 ZBXCTWHPUPFDKI-UHFFFAOYSA-N 413.530 1.168 30 10 HDEE Cc1c(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1692934501 WKTZKAMTDDZYTE-FMQUCBEESA-N 424.509 1.435 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCOCC2)n1 1693199929 GEWKQCQJBQLLLD-FUHWJXTLSA-N 411.510 1.346 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)OC 1697767403 QSAFJHPZYOMRJO-LZQZEXGQSA-N 415.494 1.597 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1698201668 YXCIMVUMENTHRN-WIYYLYMNSA-N 413.478 1.210 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1705498883 GBWTZJUIVJJVMS-ZDUSSCGKSA-N 408.553 1.127 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnc2ccccc21 1705581313 YERBZFYTPCMCJF-SFHVURJKSA-N 401.474 1.742 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705637276 PJWBUWNQRSLNKV-NRFANRHFSA-N 421.593 1.726 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1705651850 JIKRPOQYDOEHMX-UHFFFAOYSA-N 420.583 1.084 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@@H]1C 1705680460 BGZZSLBUEJMOLK-QWHCGFSZSA-N 416.320 1.578 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1705735983 YYLWJVZRAGTPPL-RDJZCZTQSA-N 401.467 1.993 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1705905010 GJOVLCGYMBHAFL-IBGZPJMESA-N 410.522 1.584 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1706603182 LKNHYOQVTJKLHT-IBGZPJMESA-N 423.493 1.773 30 10 HDEE CCc1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709061889 OQPPQQQNOCZCNK-PAXQJZSFSA-N 400.483 1.371 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711058538 YPNXFLBGLODWIH-OHTQGHCMSA-N 402.499 1.791 30 10 HDEE CO[C@]1(Cn2c(N(C)C[C@@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1711632453 BBZWHSSQOGWGLM-FFZOFVMBSA-N 407.515 1.720 30 10 HDEE CS(=O)(=O)CC1(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CC1 1712694904 CSTXPMWXIAZGEG-UHFFFAOYSA-N 415.523 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1722303408 ZDKWRPWSQMOVQT-IBGZPJMESA-N 408.550 1.685 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722365921 PYDRZZKJIVGGOA-DLBZAZTESA-N 400.504 1.780 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1noc2c1CCCC2 1722373562 JXGPTDYLRAGFHW-JOCHJYFZSA-N 409.490 1.918 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722455286 LMPQCILXAFPDKF-UHFFFAOYSA-N 407.503 1.363 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1722473442 DFKMUTXLNPQIDE-GHTZIAJQSA-N 419.595 1.904 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1722528390 FQDKJBFTLQDFPH-INIZCTEOSA-N 414.576 1.011 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2cccnn2)CC1 1722728051 NJMZNGPWRVNMDE-UHFFFAOYSA-N 419.555 1.194 30 10 HDEE CC(=O)NCCCn1c(CC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722853451 AARDIORVJKTLKQ-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1722861640 AHIUBACMFRXYLU-ZHRRBRCNSA-N 420.521 1.998 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1729339779 QAUYEVZFFGPXNO-UHFFFAOYSA-N 408.510 1.765 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1729557093 UMLJGZVZQXBXIM-INIZCTEOSA-N 403.508 1.724 30 10 HDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cn1 1730151648 BZAANGFXFGLGFY-CYBMUJFWSA-N 419.511 1.080 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1740610397 ZJEXXAULGKXEBS-INIZCTEOSA-N 401.492 1.256 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCN(CCC)C2)CC1 1740696016 JYRZYTDOWLKPCP-PMACEKPBSA-N 400.571 1.659 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1740817873 XABTVHQIFPDBKR-UHFFFAOYSA-N 404.559 1.808 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740914864 MFUUQKVGIPBOKV-IBGZPJMESA-N 414.535 1.932 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1740995414 KZTBJDWTWBYJJA-UHFFFAOYSA-N 421.567 1.819 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741286254 OSTBTBGLPZWITF-QGZVFWFLSA-N 410.526 1.612 30 10 HDEE Cc1noc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)n1 1742892705 IBYLTCBNPRFQCY-IBGZPJMESA-N 400.487 1.871 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2nc[nH]n2)cc1 1748883021 PCAJCEJYBUSCST-UHFFFAOYSA-N 411.473 1.975 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1749232775 GZSHXBFBXRUNLF-BRWVUGGUSA-N 402.499 1.411 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@H]2C1 1749232956 ZDNDGFJIMGPJPG-INIZCTEOSA-N 417.539 1.440 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C(=O)NC 1749658075 LCMNATHCLVPGNI-GFCCVEGCSA-N 405.890 1.114 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@H](c2ccccc2)C1 1749666154 IEBPDUDCIRVFSP-NJAFHUGGSA-N 424.505 1.498 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749721958 XPLHEZHZHNSOPA-LSDHHAIUSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOCC1 1749727601 YLNJQHFHCWLNHF-UHFFFAOYSA-N 406.464 1.111 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1750071268 YKICDBSWHQVCQV-GHMZBOCLSA-N 406.384 1.742 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC(=O)NCc2ccco2)c1 1750381769 DMMVFVHQBSEPJE-UHFFFAOYSA-N 419.445 1.052 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1751014796 BTGAAKDYUZYDAO-RTWAWAEBSA-N 418.542 1.125 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1 1751652319 DYUKHBPQFLQDKP-GOSISDBHSA-N 401.467 1.293 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1cnnn1C 1760199331 UOZDSIJQPXCAEJ-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc21 1760201943 ODCRSROAKVINTA-HKUYNNGSSA-N 402.502 1.753 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCOC2(CCOCC2)C1 1760274822 NRUKJXGZFFBYEH-QGZVFWFLSA-N 424.567 1.754 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 1760276031 QXXOQPXFZRQDLO-SFHVURJKSA-N 413.547 1.841 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760278896 KUUHQFYRIOOLEN-GOSISDBHSA-N 409.519 1.808 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(N)=O)C1 1760324992 OEWKGEBBLPMBMY-SCTDSRPQSA-N 413.526 1.433 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1760432701 LXZYQSRDZHPEOU-CVEARBPZSA-N 421.571 1.972 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccc(OC)cc2C1 1760514350 CBZZMFAVKBMNMI-UHFFFAOYSA-N 424.505 1.388 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1ccco1 1760516477 OICJORJXNHVCIM-KBPBESRZSA-N 422.511 1.125 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760527025 LKHVMEARVAJUIO-OAHLLOKOSA-N 402.524 1.876 30 10 HDEE CCCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1765744250 NLWBLFBGDKSFPH-HNNXBMFYSA-N 415.498 1.466 30 10 HDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1766929463 UNYCDUYGIJMGQO-RBUKOAKNSA-N 417.558 1.132 30 10 HDEE CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1767515864 DQRVAWOKALWBIO-GOSISDBHSA-N 407.522 1.873 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCOC[C@H]1OC 1769977396 HTYGEOCIFJKADK-BPQIPLTHSA-N 407.515 1.794 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1770361149 FQJMMUTXJIFAPF-WNNBVUDTSA-N 416.463 1.493 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ncccc1N(C)C 1771222538 JMNDEQIKQGPAMX-JKSUJKDBSA-N 415.498 1.240 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1O 1771488433 SFOKFKGTHVWXEJ-FHLIZLRMSA-N 408.506 1.939 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ccc3c(c2)CN(S(=O)(=O)CCC)CC3)CC1=O 1850205094 BGSQEIUUYUSOCB-KRWDZBQOSA-N 405.520 1.758 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)[C@@H]1CCN(C)C1=O 1851342652 KXBLBKNZLFSCSA-GOSISDBHSA-N 405.520 1.720 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1c(C#N)c(C)nn1Cc1ccccc1 1852173657 QFCPFZIWSUYFKE-QGZVFWFLSA-N 401.492 1.864 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)NC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1 1852713512 XGJVASNLEFNBBO-SUMWQHHRSA-N 410.879 1.390 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCC(n2cnc3ncccc3c2=O)CC1 1852742827 QUKNTHZPRCUGIP-UHFFFAOYSA-N 419.441 1.914 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCCC2 1853680102 ZFASQHGJHBRYRR-INIZCTEOSA-N 416.547 1.915 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854404709 RKVQRJWHEAVUOB-UHFFFAOYSA-N 405.476 1.536 30 10 HDEE COCC(=O)N1C[C@H](CN2CCC(COc3cccc(C#N)n3)CC2)CCC1=O 1854425680 OZHBFZZQLULQMJ-KRWDZBQOSA-N 400.479 1.456 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCOC2)CCN1S(=O)(=O)c1ccccc1C#N 1854454039 ZRPWJAZTKIUOGA-OAHLLOKOSA-N 405.476 1.123 30 10 HDEE CC(C)(C)C1CCC(N2CC(C(=O)N3CCN(S(=O)(=O)CC#N)CC3=O)C2)CC1 1854522257 CCKUUXHCIUHXJY-UHFFFAOYSA-N 424.567 1.047 30 10 HDEE COc1ccc2c(c1)CC[C@@H](C(=O)N1CCN([C@@H]3CCN(CCC#N)C3)CC1=O)C2 1855029438 SUMRRUJZUFDZHR-WOJBJXKFSA-N 410.518 1.459 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1 1855393764 ZXWVGXCURPHORS-LJQANCHMSA-N 407.449 1.585 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)CC[C@H]3CCCO3)C2)CC1 1855852799 JKHOEHIHIXNALF-PKOBYXMFSA-N 411.506 1.410 30 10 HDEE CC[C@@H](C)CC(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098260 CYUQVPSVMMCZLW-YLJYHZDGSA-N 410.518 1.922 30 10 HDEE Cc1nc2ccc(F)cc2cc1C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856118681 NHMCNXMRGLVJNW-UHFFFAOYSA-N 418.450 1.599 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN([C@H](C)CCC#N)CC2=O)cc1 1856408145 NEBIUUUVOVLIRV-MRXNPFEDSA-N 421.519 1.612 30 10 HDEE CCN(CC(=O)N1CC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)C(=O)OC(C)(C)C 1856548361 MHPRTXRJLNTMFD-HZPDHXFCSA-N 404.511 1.997 30 10 HDEE N#CCCN1CCN(C(=O)c2nccc(N3CCOCC3)n2)C(=O)C12CCCCC2 1856627949 LFXRGONLKUIGGI-UHFFFAOYSA-N 412.494 1.214 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CCc3ccc(F)cc3)C2=O)C1 1857107367 SCIOVVAPJDYFHB-LJQANCHMSA-N 408.433 1.916 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc(OC(C)C)n2)C1)[C@@H]1CCN(C)C1=O 1857270432 LYBHWAAAGBBOFH-FUHWJXTLSA-N 414.506 1.576 30 10 HDEE COc1cccc2c1OC[C@@H](C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1=O)C2 1857381511 PFIAAEVQXRHMSK-IBGZPJMESA-N 405.454 1.989 30 10 HDEE COc1cccc(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1OC 1860733271 WBTXUVGLNZRILH-DHZHZOJOSA-N 418.471 1.292 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(CCc3ccccc3)[nH]c2c1 1860968283 MYCOASQWSAOURK-LJQANCHMSA-N 419.485 1.624 30 10 HDEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870423958 VCUYORCGCZBAOE-UHFFFAOYSA-N 405.495 1.310 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccn1C 1874277443 SIQBPCBOJRSSLM-RNDVCUHJSA-N 418.523 1.878 30 10 HDEE CO[C@@H]1COC[C@@H]1N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2120780861 UPQYQEDGCGVQNR-UONOGXRCSA-N 413.121 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CCC(C(=O)O)CC2)[C@H](C#N)C1 2162600589 STHDRSCMRGGRGB-ROKHWSDSSA-N 401.485 1.404 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174772800 LSTNSORMOFSQSA-CVEARBPZSA-N 400.545 1.635 30 10 HDEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCC1 2174783353 BFXAGMWNFXMHTC-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C#CCN(C(=O)C[C@@]1(NC(=O)OC(C)(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 2180138321 WDQBFIINRBNPGM-KSSFIOAISA-N 416.565 1.426 30 10 HDEE CC(C)(C)OC(=O)N1CCc2sccc2[C@H]1CNS(=O)(=O)N1CC(C#N)C1 2193988351 FOHWHKKYAIVSFV-CQSZACIVSA-N 412.537 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@H]21 2199771935 BLLVZWJVGGRFFJ-UMSGYPCISA-N 402.513 1.679 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387458 URQMNZRVVJLLDN-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258155738 YDJDDOOVUCBDNW-DLBZAZTESA-N 408.476 1.272 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCN3CCC3)cc2Cl)OC1(C)C 2267704052 HJALQCAOYOWJNF-UHFFFAOYSA-N 406.766 1.685 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269035356 WUNKFOQAMXHODF-JTQLQIEISA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CNCC[C@@H]3CO)c2Cl)OC1(C)C 2281937014 UULFCKLPKFNDCO-PWSUYJOCSA-N 400.737 1.401 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCCS(C)(=O)=O)s1 2281938901 APPJAHOANAZYEG-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@H]3CCO)sc2Cl)OC1(C)C 2281964612 ACMLYTBZIOFXBT-LLVKDONJSA-N 401.721 1.924 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2281996854 VACNKNXNNLRLQL-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCCC3(CC2)OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282038133 DSQFYMIUJHJHGP-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE CNC(=O)OCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282336935 HYWLBLIJUHIQFK-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@@H]2CCO)OC1(C)C 2282410478 XBBBFGHLZQKZOX-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282620463 FUCOBVPKKLVZFZ-GHMZBOCLSA-N 402.347 1.336 30 10 HDEE CC[C@H]1C[C@]1(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406430 YIKYWNIHFDPEIA-MGPLVRAMSA-N 401.315 1.579 30 10 HDEE CC1([C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(=O)O)CC1 2284415361 XDWMUPLIYRUPRO-NSHDSACASA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCS(=O)CC3)c(Cl)cc2F)OC1(C)C 2285972153 CPNJMRQKUHXYQZ-UHFFFAOYSA-N 401.696 1.983 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1[C@@H]2CN(Cc3ccccc3)C[C@@H]12 2315533636 LHDVLOMVPWCNQX-IAGOWNOFSA-N 422.338 1.580 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CNC(=O)OC(C)(C)C)C1CC1 2365205343 AHGUHJWTTMCQAC-KXBFYZLASA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC12CCC2 2365209311 FREIZRCMNHBASS-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@](N)(C#CC(C)(C)S(C)(=O)=O)CO2 2365239645 WZWAHKCTYJMKMM-GOSISDBHSA-N 400.541 1.701 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2367791670 ZANTVAYSSNFZQR-GJZGRUSLSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C#CC2(S(C)(=O)=O)CC2)(OCCC(=O)O)C1 2367799157 YEIOUTJJWAXPFS-UHFFFAOYSA-N 401.481 1.484 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367800471 JXHWEPIWCGXSJY-CVEARBPZSA-N 401.573 1.390 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2367804371 SBFAEXCCOKZNAZ-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)CO2 2368728080 FIXDGQCMENBRLX-HKXURECYSA-N 402.513 1.584 30 10 HDEE C=CC1(N[C@](C)(C[C@H]2CCCS2(=O)=O)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2377238546 BFCKVVGNRIXYMW-CXAGYDPISA-N 402.513 1.562 30 10 HDEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1 96351093 KOSLJMDMYWKSDH-GOSISDBHSA-N 402.454 1.737 30 10 HDEE Cc1cc(Br)cn2cc(CCNC(=O)[C@@H](C)n3cnc(C#N)n3)nc12 409925981 TUWZDTWYLYTKDV-LLVKDONJSA-N 402.256 1.788 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN([C@@H]3CCCC[C@@H]3O)CC2)CC1 426558050 GFHDVDMRBWEBJO-UXHICEINSA-N 412.538 1.553 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n(C2CCOCC2)n1 434552091 OKWUBXMJEJEGBF-AWEZNQCLSA-N 417.491 1.720 30 10 HDEE Cc1cc(N2CC[C@H](N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2=O)n(C)n1 438690482 JGOLBQMCWXMCOP-INIZCTEOSA-N 421.461 1.776 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446630312 YHRRHQOOGCOYOD-ODIFPOPNSA-N 406.508 1.719 30 10 HDEE COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 447206538 AGROIGJDKHSFBA-WMEZAQDKSA-N 405.520 1.889 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 465029018 GWGJVYVMEOJPQP-GOSISDBHSA-N 413.499 1.877 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 476685471 GCHQFFBBGCHKRY-UHFFFAOYSA-N 410.459 1.570 30 10 HDEE COc1ccccc1CCN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 481437487 QDPXVZTUAZUQBJ-HNNXBMFYSA-N 401.488 1.935 30 10 HDEE Cc1c(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cccc1S(=O)(=O)NC1CC1 505274698 OPAZBTHNEURDJR-UHFFFAOYSA-N 404.492 1.527 30 10 HDEE CCOC(=O)c1cnn(C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)c1C 510610336 WTGXSVUCXRMAIK-UHFFFAOYSA-N 400.483 1.661 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)NC[C@@H](C)S(N)(=O)=O)c2)c1 512495665 CPFZHJQZNHQTCL-CQSZACIVSA-N 415.471 1.672 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 518639218 LIAYXKMVBURVNM-MRXNPFEDSA-N 419.478 1.364 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)cc2C1=O 521033474 ZVEGEYDORYTTBI-HNNXBMFYSA-N 409.417 1.682 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 525102633 XEERKGLZVPKFAN-FQEVSTJZSA-N 412.494 1.475 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(c3cccnn3)CC2)CC1 539450388 DGYGDWDZUNCHEG-HXUWFJFHSA-N 423.496 1.147 30 10 HDEE CC(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)[C@H](C)C1 539452188 SZMHYCXZBKFWHH-OXQOHEQNSA-N 401.486 1.087 30 10 HDEE N#Cc1cccc(N2CCN(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)CC2)n1 544881415 HHFGTKXUQBKMKY-UHFFFAOYSA-N 422.508 1.953 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 558613467 BBBLNNOOJIYIJN-UHFFFAOYSA-N 402.451 1.168 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2c(F)cccc2I)CC1 575161971 DYGLNMFZLPRRBO-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 603786035 FLYCMFIFHJFNDS-UHFFFAOYSA-N 408.458 1.461 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2F)c(=O)n1-c1ccccc1C 609350359 RGXAOIRQWGTHTE-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 611541095 PEBILKHZXUEATF-QKKBWIMNSA-N 400.479 1.742 30 10 HDEE CN(CCCNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)S(C)(=O)=O 611839296 JLWAFHNFQPVRQF-UHFFFAOYSA-N 410.887 1.800 30 10 HDEE CN(C)C(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 611844771 YKNKQXHAFHBZNH-UHFFFAOYSA-N 415.885 1.635 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)c1 679096101 QRBOVEYPJFJERD-GOSISDBHSA-N 400.456 1.975 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 680513703 CANCWPNUESUWTD-HNNXBMFYSA-N 402.538 1.385 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2C2CC2)cc1 728757097 GDNMECGJJCVVDX-CZEALIGGSA-N 418.519 1.839 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 731730569 OZQWQKBDIPWOQY-UHFFFAOYSA-N 415.899 1.848 30 10 HDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1=O 732649372 TXZJLVUCJQMEAB-XJKSGUPXSA-N 402.882 1.900 30 10 HDEE CNC(=O)CNC(=S)NN=Cc1cnc(C)n1-c1ccc(Br)cc1 734980257 YEUMCHRGWPMNES-UHFFFAOYSA-N 409.313 1.487 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=Cc3cnc4ccc(C#N)cn34)cc2)CC1 736430860 KRJXNJKZSYMDNE-UHFFFAOYSA-N 423.502 1.588 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 740211022 LIHHEBRFXVUZJW-QGZVFWFLSA-N 402.428 1.846 30 10 HDEE COc1ccc(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1C#N 746785171 NXHZDBORPATZJL-UHFFFAOYSA-N 402.476 1.486 30 10 HDEE COc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 747423339 QSCBZVWXLCZQCD-KRWDZBQOSA-N 424.457 1.691 30 10 HDEE C#CCN(CC#C)C(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 752153829 ITQZVZLGFYRZQY-UHFFFAOYSA-N 410.451 1.602 30 10 HDEE CS(=O)(=O)[C@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 752199777 KALXCQDBPCGCBQ-ZFWWWQNUSA-N 400.478 1.001 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc(N(C)C)nc1 752433170 ZUJOKGATFFDWLK-OAHLLOKOSA-N 416.507 1.779 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2cccc(C#N)n2)CC1 760912626 BVSLNNGHMHFGMY-PDGQHHTCSA-N 401.492 1.055 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NN=Cc2cc(OC)c3c(c2)OCCO3)cc1 767796748 RJLPRKKZJOUZMK-UHFFFAOYSA-N 420.443 1.956 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1 772568879 AWTOHYPALHAZTP-INIZCTEOSA-N 400.306 1.863 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)OCc1nc(Cc2cccc(F)c2)no1 783805757 IEGSIMCQFSUEIW-VHEBQXMUSA-N 400.366 1.759 30 10 HDEE CN=c1scc(-c2cccc(S(C)(=O)=O)c2)n1N=Cc1cnn(CCOC)c1 789971288 WQUZXWRQDOFIIN-UHFFFAOYSA-N 419.532 1.876 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(Cl)c1F 792220333 CHKGAJCVKVIAKZ-LBPRGKRZSA-N 408.817 1.403 30 10 HDEE CN1CCN(C(=O)CC2CCN(Cn3cc4c(c(C#N)c3=O)CCCC4)CC2)CC1 793499088 OMKYIFYJGDNSHU-UHFFFAOYSA-N 411.550 1.432 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC[C@H]2C)cn1 795185955 ZUQWDLJLYQBKJS-VNQPRFMTSA-N 406.556 1.701 30 10 HDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)Nc3cnccn3)SC2=Nc2ccccc2)n1 807929794 CXBZNSSSVQFSEF-OAHLLOKOSA-N 422.474 1.766 30 10 HDEE C#CC[C@]1(C(=O)N(C)CCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 809705013 LOWREYLPZQEKRJ-LJQANCHMSA-N 413.540 1.273 30 10 HDEE C=CC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1116568242 PBTQUVODDLLBQC-ZIAGYGMSSA-N 400.522 1.915 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N[C@](C)(C#N)CN(C)C)CC2)c1 1128704170 WUEMNBDYXMKJHT-HXUWFJFHSA-N 420.535 1.250 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(Cn4ccnn4)c3)C2=O)cc1 1139811760 VEXJRMCRAANAJR-HXUWFJFHSA-N 400.442 1.729 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1140739481 KRZBPTNZWJCBFG-KSFYIVLOSA-N 404.426 1.166 30 10 HDEE CN(C)[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1141411664 HMAIVPXCLHNMSQ-ZWKOTPCHSA-N 404.536 1.512 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCOc2cccc(I)c2)C1 1143195874 OARUHCFSUIIRNL-OAHLLOKOSA-N 400.216 1.937 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2C[C@@H](CO)[C@H](CO)C2)CC1 1148876288 GMAYYLMKVKFXFW-GJZGRUSLSA-N 400.435 1.082 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccc(C(C)(C)C)cc2)CC1 1152967903 VCWMXDNKUOXXRJ-UHFFFAOYSA-N 409.577 1.688 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H]1CCCN(C(=O)OCC)C1)c1cc[nH]n1 1154769671 QULROVPTWAGHCA-KGLIPLIRSA-N 423.470 1.067 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1162679184 FMCVTXDGRBPJJZ-WFEDQXDTSA-N 405.520 1.742 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1 1162839583 LIVRLIXFTBPSGA-WXVFVKJXSA-N 408.458 1.135 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Cc1cnc[nH]1)NC(=O)C1CCCCC1 1165508881 XTLDRCLQMDHHMN-SFHVURJKSA-N 416.522 1.821 30 10 HDEE C=CC[C@H]1CCCN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 1165746127 ZIXZOWMZAHFPRN-AWEZNQCLSA-N 400.522 1.183 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)c1C#N 1189271636 BIALZSJLXYHPBV-SJLPKXTDSA-N 403.483 1.747 30 10 HDEE C=CCN(C(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1)[C@H]1CCS(=O)(=O)C1 1207457949 TWESVXSEFLEWCD-LSDHHAIUSA-N 412.512 1.994 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286386828 IDAYHEKTQKPVBE-BEFAXECRSA-N 403.508 1.061 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1286398255 VMDOKJSCQVFMOC-ZWKOTPCHSA-N 403.552 1.679 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1 1286411540 XWXKIBZOUQLFJH-NRFANRHFSA-N 419.577 1.610 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1286412910 PBRXTUCUPIGJAF-QZQOTICOSA-N 406.490 1.610 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1 1286428696 FMFGXOGICQIOJH-HXUWFJFHSA-N 421.501 1.895 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C2CCOCC2)C1 1286504805 QHAPTZQWKOEFRP-DLBZAZTESA-N 403.552 1.849 30 10 HDEE C=C(C)Cn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286598970 JDEJQYVFSGHWLX-LLGFUMIMSA-N 403.527 1.857 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286716124 GQQLMARKFSMLMB-OAHLLOKOSA-N 413.530 1.539 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1CSCCSC1 1297335622 QUDSSKRFGNGKNM-RHSMWYFYSA-N 404.561 1.861 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1297759272 DBJLOXUWRNJRJI-INIZCTEOSA-N 418.523 1.312 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1CCNS(C)(=O)=O 1300449518 KIOOFAOLXDZMPG-UHFFFAOYSA-N 412.313 1.326 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1300458726 LRCXKLNHCBOALQ-LJQANCHMSA-N 409.538 1.459 30 10 HDEE C#CCN(c1nnc(C)n1CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1300485180 USCXUJXFBGSMAY-MRXNPFEDSA-N 423.539 1.080 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1300597845 VZVVGMJXLNENKC-KRWDZBQOSA-N 417.897 1.736 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCn1ccnn1 1300641222 DFMCTZLDKHOTPI-UHFFFAOYSA-N 424.484 1.877 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1300848840 JJOVWFMBPBZDEC-WXHSDQCUSA-N 419.345 1.296 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1301252261 MLBKUHBVBVXIAK-CQSZACIVSA-N 416.482 1.300 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2ccccc2F)C1 1301496699 FPGFPTJHNXGFOD-GOSISDBHSA-N 423.452 1.754 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccccc2)C1 1301593501 OJLAJHCMWIKFET-SFHVURJKSA-N 420.535 1.993 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1301982171 PDRXYQJDODZUAN-MBOZVWFJSA-N 420.583 1.933 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1302478885 HXVZPFVYUNSKHN-UHFFFAOYSA-N 412.475 1.540 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1302525715 SPIFQTKVKAAXCD-FHWLQOOXSA-N 418.542 1.258 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCS2)cc1 1302991145 BLPPVFSJDIQJGF-MRXNPFEDSA-N 403.533 1.947 30 10 HDEE Cn1cnnc1[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1303208535 YASNRPGJXQQPRH-XAHBDIOTSA-N 414.510 1.918 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1-c1ccc(C#N)cc1 1303473688 FFAMIJPWYIKDLF-UHFFFAOYSA-N 414.495 1.622 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCC(S(=O)(=O)N2CCCCC2)CC1 1308097371 OOEAKJNKXXUELV-SFHVURJKSA-N 407.536 1.578 30 10 HDEE N#Cc1ccc(C2CCN(S(=O)(=O)c3cnc4nc(O)nc(O)c4c3)CC2)cc1 1309904443 HTWUXDYCTGZGBN-UHFFFAOYSA-N 411.443 1.876 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1313718724 CTZRZPBACAFLEL-CKEIUWERSA-N 415.539 1.061 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCOCC2CC2)C1 1314923678 NQVQLDXDCUYNPV-QFIPXVFZSA-N 410.522 1.746 30 10 HDEE CO[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1315724517 MGHRFTOHQDDKJO-OZNQOIHVSA-N 416.526 1.864 30 10 HDEE COCCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1316256520 WGQRBGQRJABPDC-IBGZPJMESA-N 410.478 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@H]1CCCCO1 1343813293 ASYHBCLHONIOAT-GOSISDBHSA-N 412.515 1.991 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1358924601 BLGFAXAYZUXJIO-UHFFFAOYSA-N 417.473 1.751 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1358941254 CRXZBKDJWPKAHT-UHFFFAOYSA-N 404.492 1.609 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358956585 HZQMRHIDONRGGS-GUXCAODWSA-N 420.535 1.919 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1COCC)[C@H]1CCS(=O)(=O)C1 1358957504 VKUMYUNJBKPCCR-IBGZPJMESA-N 402.520 1.798 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1358982810 LKSVYKGSVNJNOW-JTSKRJEESA-N 410.474 1.478 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2CCOC[C@@H]2C1 1359059685 WNAMEBXDUNUYOC-KRWDZBQOSA-N 403.577 1.818 30 10 HDEE C#CCSCCn1c(COc2cccc(C)c2)nnc1N1CCS(=O)(=O)CC1 1359060695 FLIARTRUAJOPSX-UHFFFAOYSA-N 420.560 1.767 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359197520 RUNKTHSHTQTXPD-MRXNPFEDSA-N 403.531 1.813 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1359291235 IXRDJPUJIDHTBD-OWSLCNJRSA-N 421.542 1.556 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1359298370 XGUBARRFMDFQFZ-MRXNPFEDSA-N 413.526 1.265 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)C2)cc1 1359306741 PHHOZIIBCGDYKI-UHFFFAOYSA-N 412.494 1.308 30 10 HDEE CC(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1359939805 YBWGLEAMEFFZOR-KRWDZBQOSA-N 408.510 1.869 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2Cc3ccc(C#N)cc3C2)CCS(=O)(=O)CC1 1437138155 MMAGHEBCJGSDRZ-UHFFFAOYSA-N 404.488 1.937 30 10 HDEE C=CC(C)(C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1444730433 RNAHJVYDRNNICS-UHFFFAOYSA-N 401.529 1.292 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2C1=O 1460857862 JQWYUUYXAXTQDA-LJQANCHMSA-N 404.426 1.796 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1OC 1468483232 QOEUJMNDHFPMST-MRXNPFEDSA-N 423.494 1.656 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)nn1 1469216369 ULWYSEPEDXWKLM-UHFFFAOYSA-N 415.475 1.774 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1469386663 HFIBNAGFOGTFKB-MRXNPFEDSA-N 405.863 1.208 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N[C@@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1469720600 OHJCGYIEXMKXMP-XJKSGUPXSA-N 408.296 1.936 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 1470597389 NJMYXXBEGVLYCP-MRXNPFEDSA-N 402.476 1.283 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3cc(C)no3)CCOCC2)c1 1470844888 QXDJHJSXGRACAQ-UHFFFAOYSA-N 403.460 1.330 30 10 HDEE COc1cccc(CC(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 1473128953 SNWVAAHZUOAXSA-IBGZPJMESA-N 401.507 1.453 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)C1 1476347358 XBQGGCQCXBHYEY-QGZVFWFLSA-N 416.503 1.977 30 10 HDEE CCCNC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1501166855 FBVJCTROWQZFJF-DNVCBOLYSA-N 422.555 1.227 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1503288684 AONAIEAMWJOCSR-LDLUVENISA-N 417.535 1.827 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@](C)(O)C(C)C 1504993118 DQVGHQPGTWVLMW-PLMTUMEDSA-N 420.558 1.586 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCN(C(C)=O)CC1 1507610725 FRMJAJDVHWBJFC-UHFFFAOYSA-N 417.517 1.727 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC1(C(N)=O)CCOCC1 1507619527 PEKZRRRAUPAWFT-UHFFFAOYSA-N 413.478 1.217 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1507632386 ZWWZCNCKRQRXCL-MRXNPFEDSA-N 400.508 1.552 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(NC(=O)C2CC2)CC1 1508145965 RVUJWNUWNZPNIG-UHFFFAOYSA-N 423.583 1.572 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)CCN2C1=O 1515755760 DLJUJRUREIINDD-INIZCTEOSA-N 411.466 1.462 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCN(CC)CC1 1539021242 HMLLMXKEEKDUSZ-VQTJNVASSA-N 409.582 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1539025688 LDZOWQGIWROEJD-GJZGRUSLSA-N 412.460 1.743 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCOC2=O)CC1 1539447531 UKXHVPBWNGJFOO-KRWDZBQOSA-N 402.499 1.117 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)c1cccc(C)c1 1540862500 CKHASSQFHIJRAJ-AWEZNQCLSA-N 406.512 1.267 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1540875654 TWHDDYJICFGOLW-FQEVSTJZSA-N 403.458 1.354 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540912818 IWJJHCFJEQGABT-HNNXBMFYSA-N 401.540 1.759 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(=O)OC)c1ccc(F)cc1)c1cc[nH]n1 1542273232 JDISVENLHFXNDX-HNNXBMFYSA-N 420.397 1.253 30 10 HDEE COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1 1542766690 BCGFGDRTPRFKSV-CQSZACIVSA-N 417.853 1.268 30 10 HDEE COCCC(=O)N1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1545689081 UFGMRJNTRZUITD-MRXNPFEDSA-N 410.515 1.717 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1548108179 BJQNNMMCMQBEFV-UHFFFAOYSA-N 418.523 1.445 30 10 HDEE CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1)C1CC1 1554578786 BFFAUXJGSXNGRC-SCLBCKFNSA-N 410.544 1.443 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1555190677 BUAPXUOZGYBOQH-RBUKOAKNSA-N 424.505 1.570 30 10 HDEE C#CCC[C@@H](O)CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1556349344 WIVXONQFEOEKKR-MSOLQXFVSA-N 418.490 1.904 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(Cc3ccccc3)CCN(C)C2=O)n1 1556461211 SJGRWIFVISZJHP-HSZRJFAPSA-N 408.502 1.583 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1557387572 VQNYEUPMQWXOIR-CQSZACIVSA-N 405.476 1.029 30 10 HDEE CC(C)COC(=O)[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1557995710 CVRMTXGYQSOTCQ-HNNXBMFYSA-N 423.535 1.989 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 1558102246 DPJWRIGXRQHSQP-UHFFFAOYSA-N 406.504 1.006 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C(=O)OC)C1CCCCCC1)c1cc[nH]n1 1558484039 VMCFEWXJBSTLFF-HNNXBMFYSA-N 422.482 1.569 30 10 HDEE Cc1ccccc1-n1ccnc1SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511693 WVPFRUVCUNHTKJ-KXBFYZLASA-N 416.528 1.670 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 1561725336 UUARYAVOMRIGAB-UHFFFAOYSA-N 405.469 1.195 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)C1 1567388472 XTPYCSDFLBFPCT-YOFOWSBGSA-N 412.446 1.906 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O)C(=O)OCC 1569183996 HXUOXJVPQPSQCU-MRXNPFEDSA-N 411.480 1.644 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 1570831671 SPUKYCSMZPSCDJ-IBGZPJMESA-N 412.515 1.964 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2nnc(C(C)(C)S(C)(=O)=O)o2)C1 1570833878 NIDQTMOXKOSSCL-HNNXBMFYSA-N 417.491 1.572 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1577836816 AAMZBZHOPUGTEL-NTHNXFDUSA-N 417.550 1.042 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)c1 1587516609 CAOCQKKUMNHXLV-UHFFFAOYSA-N 424.525 1.481 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1587697074 JFZDVWROBJNLKO-DYESRHJHSA-N 401.511 1.702 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NCC)CC1 1587898727 VELSPSUFIQGKFV-IRXDYDNUSA-N 404.515 1.267 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)N1CCOCC1 1588011555 FMVGUSJRSUSBOI-UHFFFAOYSA-N 416.551 1.450 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045506 MBNWZUYRUIGWQI-AEFFLSMTSA-N 419.551 1.581 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1588064175 CDSKBYVAQGLGPY-AEFFLSMTSA-N 413.547 1.937 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cn2ccsc2n1 1588089035 GKFRHHBOEKZLSE-FQEVSTJZSA-N 410.503 1.761 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)cc1 1588089390 KPOJDXREKTWILI-JOCHJYFZSA-N 407.474 1.150 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NC)CC1 1588125271 ZLFUNBQNQQYOCO-AWEZNQCLSA-N 402.923 1.349 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C(=O)OC 1588126726 APVIUEOFXNNBPR-LBPRGKRZSA-N 411.252 1.799 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2oc(CC)nc2C)CC1 1588865308 SPFHLBRKYDDZKM-UHFFFAOYSA-N 422.537 1.802 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1Cc1cn(C2COC2)nn1 1594970852 BEIPKIIXLFFKQU-UHFFFAOYSA-N 401.421 1.980 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC1(NC(=O)OC(C)(C)C)COC1 1594992270 DSYSZMLOTLETHD-UHFFFAOYSA-N 420.514 1.316 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1595393131 KAGSIFZXQVDPFT-INIZCTEOSA-N 418.523 1.138 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1595798572 QRUIWSVWZBUZBT-BBWFWOEESA-N 412.556 1.777 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOCC2)CCOC1 1596790545 NMZYFLUJJVEHKC-WIYYLYMNSA-N 420.558 1.637 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)C2)nc1 1596977913 KGBYIQCPLJFMCW-GOSISDBHSA-N 418.457 1.722 30 10 HDEE CC(C)=CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1597894677 YHXOVUPRLLXNOT-SJLPKXTDSA-N 418.567 1.713 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1603409562 BKPHTAAVTRCLNY-NSHDSACASA-N 402.208 1.418 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1615143632 BSTLNCCWRTZMJI-UHFFFAOYSA-N 410.526 1.647 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)NCCN/C(O)=C2/N=CC=CC2=O)o1 1616348122 VAMJEPZONJBJNI-KNKCHTBPSA-N 401.419 1.891 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1617487667 PYNNIPCMYOOQFH-KSSFIOAISA-N 404.448 1.205 30 10 HDEE C[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN(C(=O)c2ccccc2)C1 1617487686 QKIJPXSBIQJXEV-WMQCIHAUSA-N 415.515 1.326 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)NO)cc1)C2=O 1618008458 VQCMVLAMKPFDRA-NXCRSVRDSA-N 402.451 1.169 30 10 HDEE COc1nc(C)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1618171534 BAKYYKRXDXGOCF-ZUZCIYMTSA-N 414.281 1.172 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1=O 1618456158 LISYOCZUCMIQOK-QFIPXVFZSA-N 423.521 1.646 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N(C)C[C@@H]1COc2ccccc2O1 1619904965 MXENXGCYZJUBSB-IAGOWNOFSA-N 402.491 1.950 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccnn1Cc1c(OC)cc(OC)cc1OC 1624047385 GTVPWFASDQSVEY-AWEZNQCLSA-N 402.451 1.853 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@@H](C)CC(=O)OC)CC2)c(C#N)cn1CC 1625717736 AULBKVQOTRSGQK-AWEZNQCLSA-N 419.482 1.657 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)CC2=O)cn1 1626963149 XIAWESFHHNKJMB-AZUAARDMSA-N 423.473 1.354 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c[nH]2)C1 1627791132 XOXBVGIXWAHWEX-MRXNPFEDSA-N 401.492 1.488 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)C(=O)OC 1629617075 GBXCCPFVMTUSFI-GOSISDBHSA-N 400.475 1.989 30 10 HDEE COc1ccc(SCCC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OC 1630030415 GWWJXIHSPDMBTJ-UHFFFAOYSA-N 404.448 1.136 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](n4cncn4)C3)C2)C1 1633382358 JCKNUXTYLQAGPC-QNBXZPKWSA-N 400.483 1.838 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ncc4c(n3)CCOC4)C2=O)cc1 1634918697 MDLBIJFHQIDARH-GOSISDBHSA-N 406.446 1.021 30 10 HDEE CN(C)C(=O)NC1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1636055447 ANFFLKVKPSBFAU-UHFFFAOYSA-N 406.508 1.640 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)c1cn(CCCC#N)c3ccccc13)C2 1637180553 JPOVIVAGQRKCJO-LJQANCHMSA-N 419.489 1.958 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(c2ccccc2OCCN(C)C)CC1 1637390017 PSBOCRUXWBJPMJ-LJQANCHMSA-N 402.539 1.887 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3COc4ccc(Br)cc43)C2)c(=O)nc1O 1637513331 NGPGAQDTVVIXDC-ZDUSSCGKSA-N 417.219 1.143 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1637985443 BJTCBXIJDWSBEL-AWEZNQCLSA-N 404.400 1.477 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 1638397652 KHYWMXANSWKODE-IRXDYDNUSA-N 408.424 1.986 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](C4OCCO4)C3)C2)C1 1638505536 BOYUVAWGIIPVSG-KHQOZGCUSA-N 405.495 1.995 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)cc1 1638531896 KAPWJXZCIUYBTP-MRXNPFEDSA-N 415.515 1.628 30 10 HDEE C=CC[C@@]1(C(=O)N2CCCN(CC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 1638876769 CZXRQNMQVIGWIO-NRFANRHFSA-N 408.543 1.613 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639175315 MVUHSJNWCNRVIL-VCBZYWHSSA-N 411.524 1.420 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccccc1)c1cc[nH]n1 1641735681 QGZNMHPWGISMQM-IRXDYDNUSA-N 411.462 1.179 30 10 HDEE C[C@@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)n1nnc(-c2ccccc2)n1 1641856049 YWRMQAOVCLTLAU-AWEZNQCLSA-N 420.429 1.805 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC(Nc3ccccc3C#N)CC2)C1 1642528254 UJBWNLZXXINGMC-UHFFFAOYSA-N 400.479 1.943 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1643396962 RUSSPQVTKXKELD-PCCBWWKXSA-N 405.495 1.843 30 10 HDEE C=CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H](C)COC 1643803307 QOKXWYPMAMDFHX-INIZCTEOSA-N 411.524 1.169 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1 1643887840 DXLLUPBLCFRUJD-QFBILLFUSA-N 411.487 1.325 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3F)nc2)CC1 1644284980 FENKKQKELKIDPD-UHFFFAOYSA-N 418.450 1.238 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(O)CCCCc1ccccc1 1651226127 LWTZTCYHLHFZLE-HNNXBMFYSA-N 408.524 1.944 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1652323661 NIWQAEFZKHSSTB-UHFFFAOYSA-N 402.455 1.790 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)C1 1664489368 ACTLGWUOPKNWQC-GFCCVEGCSA-N 405.398 1.302 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CC[C@@H](c3nc[nH]n3)C2)cc1Br 1665450920 DBSUKYHGDQIJJX-MRVPVSSYSA-N 400.233 1.756 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)C1 1673268515 WFYBRMVSRTWLKW-OAHLLOKOSA-N 402.499 1.853 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 1680847710 BTKXCVNAQWHXSD-WMZOPIPTSA-N 408.499 1.257 30 10 HDEE C=CCC1(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCCC1 1683811191 FHKZYFQEWYDTTI-UHFFFAOYSA-N 400.527 1.951 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1689835947 VPGIGHRPENXMRO-QRWLVFNGSA-N 419.551 1.814 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCN2CCCCC2)CC1 1690154374 MPTBVBOIRATVMY-UHFFFAOYSA-N 416.570 1.656 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690188069 CUIPYHVROQGRAW-IAGOWNOFSA-N 402.524 1.598 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1690206407 QKLQESCLTFWLBX-FUHIMQAGSA-N 405.568 1.657 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1 1690263919 LBWFESPRHUSTDM-GOSISDBHSA-N 403.575 1.659 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCS(=O)(=O)C1 1690265145 KVYBJOSJVYOUSD-HUUCEWRRSA-N 416.569 1.017 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1690643815 XLSBUSVNRYLNHL-CVEARBPZSA-N 409.556 1.499 30 10 HDEE COc1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CC2)cc(OC)c1OC 1697255901 DLQRSIRJPFBRMY-CQSZACIVSA-N 415.450 1.225 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCOC2)cc1 1698488017 ASNCONOIMJWSNX-IEBWSBKVSA-N 408.462 1.884 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705549783 IBJYTMOCHMLDQZ-FQEVSTJZSA-N 410.503 1.129 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(=O)N(C)C)cc1 1705556134 AOOTWXDXLBLVOT-UHFFFAOYSA-N 409.494 1.612 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705562313 ZSCPEZVSMDNGBR-HZPDHXFCSA-N 409.556 1.333 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCS(=O)(=O)C1 1705588649 HWYIWLIYUQFONT-ROUUACIJSA-N 422.551 1.290 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1705610243 HUVDZYDDAXOBEV-MRXNPFEDSA-N 409.469 1.621 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)C1CCCCC1 1705620990 MZHBDPPIIVPYIG-OAQYLSRUSA-N 405.543 1.834 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)[C@@H]1CC 1705698853 ZIEUCRUGPKGJDX-MHORFTMASA-N 421.542 1.698 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCCC)CC1 1705771089 HABHOAVRNJBYEU-UHFFFAOYSA-N 402.524 1.952 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1705837005 NBNINCRGKSXALF-IFXJQAMLSA-N 406.508 1.511 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(SC)CC1 1705884283 KQDINOPWHIUUQL-AWEZNQCLSA-N 400.570 1.715 30 10 HDEE C=CCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OCC)CCOC1 1705894105 YJNOOWYBCPDBKM-WOJBJXKFSA-N 402.499 1.602 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705894946 OSZCYIIXBOCGGD-CQSZACIVSA-N 412.560 1.002 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CC[C@@H](C(N)=O)C1 1705901811 XGKJDQXTXNKJIY-OAHLLOKOSA-N 421.461 1.214 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705932679 XVXCMLKXFFJGKD-JKSUJKDBSA-N 421.571 1.198 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](F)COC 1710732876 WSXVXMXIKRXBEU-KRWDZBQOSA-N 402.474 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1Cc1nnn(C)n1 1722283075 QGHXSHURUQWOPR-AWEZNQCLSA-N 410.482 1.771 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(CCC(N)=O)CC1 1722318380 OBCKYSLQGLEFKZ-UHFFFAOYSA-N 400.527 1.686 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722334905 NDCCWYKWVNACQY-KRWDZBQOSA-N 416.551 1.443 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C(C)(C)O)c2)CC1 1722430065 VXWUNQIMCWVMIF-UHFFFAOYSA-N 424.549 1.447 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC)CCCC2)CC1 1722431786 NXHKXJPNVYBXBC-QGZVFWFLSA-N 422.599 1.614 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)CN2CCCCC2)CC1 1722447987 SMMFOCUJSYETRA-SFHVURJKSA-N 400.571 1.928 30 10 HDEE C#CCSCCn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1722464743 QNMVSSYESJBHQQ-QFBILLFUSA-N 410.540 1.148 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722523561 YXEIRGBOHPRBHX-IRXDYDNUSA-N 409.556 1.753 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1722608474 DXZKWFZAJZPSNA-ZYSHUDEJSA-N 409.556 1.861 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCc2oncc2C1 1722693521 QQSUOMSHGGPYCJ-UHFFFAOYSA-N 409.406 1.706 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1C(=O)Nc1ccccn1 1722737282 ZJJYEOLHBLVJEE-UHFFFAOYSA-N 416.467 1.003 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1723878911 OEAVUZJLIAXWNT-MBOZVWFJSA-N 406.506 1.582 30 10 HDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1729316350 GCOSDWWMPQSCKB-HOTGVXAUSA-N 413.482 1.139 30 10 HDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730482480 FQFFWTKOSUFTSE-GOSISDBHSA-N 422.468 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1740548397 APNILGVEDBFWOS-PMUMKWKESA-N 408.549 1.607 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CCC(=O)N2)CC1 1740700030 CNHSHMAGGJKNON-GOSISDBHSA-N 424.574 1.913 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740718283 LJSWSBHMKFTBLQ-HOTGVXAUSA-N 403.552 1.643 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1740772179 GICOHCOJBSPNQO-UFOSLELVSA-N 413.482 1.158 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740834143 LDGWGLYDJARKEZ-DLBZAZTESA-N 412.494 1.868 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1740947784 FIOMPDKFDSXWAC-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 1740962632 JZEJKZVFZUHBBL-UHFFFAOYSA-N 416.570 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1740991324 UBEIFFVDYVDRSN-UHFFFAOYSA-N 409.556 1.641 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1748811514 IEMAVHJRWUNZJC-DLBZAZTESA-N 416.551 1.384 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC 1748836534 ZERUCYNCQSOLCU-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCOC1 1749653132 WOZYCESMWDHFJR-GFCCVEGCSA-N 423.315 1.811 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749761711 FDZLCOWNKUCLJS-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1750066293 IELUPZBVQSWKLB-CYBMUJFWSA-N 423.930 1.625 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750378247 FSVQISKUXVSIHH-CRAIPNDOSA-N 404.471 1.141 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760103652 JSCPTTLJTGOECC-RLBWVDARSA-N 415.457 1.801 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1760145097 IEBITYURCJEANJ-UHFFFAOYSA-N 406.512 1.455 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760180391 DECWWJBAXQESCW-VQIMIIECSA-N 408.524 1.133 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760230507 IAJBDYBILCJKAN-MRXNPFEDSA-N 417.535 1.695 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1760236907 ONNIRRSSEGCIJO-UHFFFAOYSA-N 414.473 1.518 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nncn2CC)CC1 1760263254 UFILUEDNTUKPAI-UHFFFAOYSA-N 411.539 1.049 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 1760281335 QJLFYLPJNJCRCG-KGLIPLIRSA-N 418.548 1.630 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1760358823 YRBYVENVIJTVEW-LJQANCHMSA-N 413.522 1.721 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1760465234 ZSIQXBIBFLFOAK-CYBMUJFWSA-N 404.558 1.016 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(C(=O)OC)CC1 1760525469 HEWCFCZCKOEOGJ-UHFFFAOYSA-N 403.508 1.622 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1760688535 JZCXZOCREIIKSF-JTQLQIEISA-N 419.291 1.214 30 10 HDEE CCN1CCCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1765466727 LWVWPWUISLOEAE-OKYOBFRVSA-N 418.542 1.605 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C#N)C1 1766265066 DCTLJGMZAIJFEK-KRWDZBQOSA-N 412.494 1.674 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1771022872 DSQIMCHMBJUEDW-QZTJIDSGSA-N 413.478 1.604 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)CC1 1848883036 WKQBCFMMZPZCOE-GOSISDBHSA-N 416.522 1.015 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848894418 SFAAINGVAVUKRJ-VQTJNVASSA-N 403.438 1.656 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)c3ccc(N4CCOCC4)nn3)CC2)c1 1849619161 UIZTXCZAFQTRAR-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCCN1CCC(C#N)CC1 1850004639 QGGPEXATQCLCQA-GFCCVEGCSA-N 416.906 1.498 30 10 HDEE O=C(CCn1ccn2nc3c(c2c1=O)CCCC3)NCC#CCN1CCCCCC1 1850619426 QZIDHQUMKPWKDC-UHFFFAOYSA-N 409.534 1.761 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C(=O)C2 1851878573 GUPJFJHMVIVIDE-UHFFFAOYSA-N 411.439 1.309 30 10 HDEE C=CCN1C[C@@H](C(=O)OCCNC(=O)c2ccc(-n3cncn3)cc2Cl)CC1=O 1852499761 XEJQJCVQOIHYDR-ZDUSSCGKSA-N 417.853 1.228 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1853680281 CVIQTWBNSCKFNA-IAGOWNOFSA-N 420.510 1.375 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1=O 1853828147 IHIVTHLLOCKJJH-MOPGFXCFSA-N 413.518 1.919 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)COc2ccccc2F)CO1 1854018504 UQOBWOUBAXXBQS-AWEZNQCLSA-N 406.391 1.624 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCN(Cc4ccccn4)CC3)C2=O)cc1 1854079300 BUVGQYGITOKQJS-NRFANRHFSA-N 403.486 1.902 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ncn3c2CCCC3)C1=O 1854082831 WIDWBQSFMBIVQU-QZTJIDSGSA-N 413.522 1.459 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2C[C@H](CN(C)CCC#N)CCC2=O)c1C 1855474435 SHZNGWUKGKSJNE-INIZCTEOSA-N 410.478 1.809 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1 1855562730 GAGPWTXAOGNDMI-SFHVURJKSA-N 405.520 1.395 30 10 HDEE C=CCCN1c2ccccc2N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@H]1C 1856240457 OCXQOIBWUOHUQK-RDTXWAMCSA-N 419.503 1.324 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCCC#N 1856281115 CALBCWAIYYTOFJ-QAPCUYQASA-N 418.519 1.873 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(CC(F)(F)F)CC3)CCC2=O)ccn1 1856870136 UXJKICGDZMSOHE-AWEZNQCLSA-N 409.412 1.512 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cc(-n4cccn4)ccn3)C1)CC2 1857231766 GWUXWZCJLQGZFJ-IRXDYDNUSA-N 404.474 1.882 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(OC)c(C)c2)C1)[C@@H]1CCN(C)C1=O 1857283727 IPMBAUVQGNQRTG-RBUKOAKNSA-N 413.518 1.640 30 10 HDEE CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1857467433 HGVWDXOARKAIAF-QGZVFWFLSA-N 405.476 1.510 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2F)cc1 1859012925 IVMJZUBCFATDJU-UHFFFAOYSA-N 422.409 1.985 30 10 HDEE CCCCCCCCN1C[C@@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC)CC1=O 1872983376 NXJVPDRDIDROIJ-IRXDYDNUSA-N 409.527 1.476 30 10 HDEE N#Cc1ncccc1CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882812416 BVDGJZQOCQQKJS-INIZCTEOSA-N 417.443 1.638 30 10 HDEE CN(C)CC#CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1890866368 LNPZUEIZRFTGGQ-HXUWFJFHSA-N 421.538 1.782 30 10 HDEE COc1ccc(S(=O)(=O)NCC#CCN2CCc3ccccc3C2)c([N+](=O)[O-])c1 1891685390 CDPABAWDFRHMSV-UHFFFAOYSA-N 415.471 1.943 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2010395874 FAFKKRGYMRZUJQ-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C#N)C1)C(=O)OC(C)(C)C 2118170464 QYCMKAYGPGZNRY-YMXBGEKHSA-N 408.546 1.431 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2124418252 VACVBFZVTFJHLR-SECBINFHSA-N 404.876 1.363 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2174780708 XKUOHCYTJOBTEQ-VXGBXAGGSA-N 414.450 1.902 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)COC1(C)C 2174782149 NDKURESGMUFDHO-AWEZNQCLSA-N 402.517 1.428 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2174785082 VALHDXZASYFUCI-VKJFTORMSA-N 401.529 1.870 30 10 HDEE Cn1cc(I)c([C@@H](CN)N2CC[C@H]3SC(=O)C=C3C2)n1 2177652903 WHJPYSVNEHNAQH-GHMZBOCLSA-N 404.277 1.299 30 10 HDEE C=C[C@@]1(CO)COCCN1S(=O)(=O)c1ccc(I)cc1 2199876093 DKVLWFVBWJIKAV-CYBMUJFWSA-N 409.245 1.229 30 10 HDEE Ic1cn(CCN=C2NC[C@]3(CCCOC3)CS2)cn1 2237122727 KTISNHFSBKCXJO-ZDUSSCGKSA-N 406.293 1.977 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243381963 OLFUPZVHSQTBDG-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243673938 CMPSDHOIQTVFCX-PHIMTYICSA-N 424.332 1.501 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826258 QUFXHGMRZNSCIM-STQMWFEESA-N 420.319 1.600 30 10 HDEE C[C@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248057636 WIUZSHOIZPPYGA-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)C1 2264025722 XTHYBEFMYQFHHH-ZWKOTPCHSA-N 406.508 1.858 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270502138 UBHGEZZUNJZGRK-MSOLQXFVSA-N 422.503 1.423 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCN(Cc2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2279246862 ZGESDJSHERUCIA-HNNXBMFYSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282030212 BZGQRTAQYCODKA-MNOVXSKESA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](N)CC[C@H]1C 2282306872 UBFVEYIKGLGIES-DGCLKSJQSA-N 400.375 1.856 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(O)(C(F)F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282316125 XYVZWMHPMOFVTP-UHFFFAOYSA-N 409.285 1.356 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC(CO)(CO)C3)sc2Cl)OC1(C)C 2282613244 KIXVUWBDACLMMV-UHFFFAOYSA-N 401.721 1.518 30 10 HDEE CNC(=O)C(C)(C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282837230 SPARPVPHXCPVNF-UHFFFAOYSA-N 402.347 1.159 30 10 HDEE CCOC(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OCC 2282850908 VCBYVDIFXUITEH-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE CN(C1(CC(=O)O)CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284392729 AVCFCUFUXBPSML-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CC(C)(/C=C/C(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284396991 ZZCJVMPFORVZFD-VQHVLOKHSA-N 401.315 1.745 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284401789 DMQLATBYPDCTDE-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(C(=O)O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2284405724 OUZFNMSQNUCXEI-HWPZZCPQSA-N 401.315 1.497 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284416292 WKDVAPRDRJNFNN-NSHDSACASA-N 403.331 1.887 30 10 HDEE C#CCCC1(CCC(=O)Nc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)N=N1 2297724970 GBMYCEWYVAFXNH-INIZCTEOSA-N 407.430 1.742 30 10 HDEE COc1cc(C=Nn2cnnc2SCC(=O)NCc2ccco2)cc(OC)c1O 2321270752 WAZWAOBJRYLBLD-UHFFFAOYSA-N 417.447 1.885 30 10 HDEE CCN(CC)S(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c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c1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)cc1 39843623 FIHQTGWVXYONNG-AWEZNQCLSA-N 422.463 1.721 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccc(C)cc3)n2N)cn1 59830043 OEQYCAUMXUYHQG-AWQFTUOYSA-N 411.495 1.860 30 10 HDEE CCc1nnc(CNC(=O)CSc2nc(N/N=C/c3cccc(OC)c3)n[nH]2)o1 59878625 SGDOHPRQRGFLNX-UFWORHAWSA-N 416.467 1.613 30 10 HDEE N#Cc1ccc(NC[C@@H]2CC[C@]3(COCCN(C(=O)CCc4c[nH]cn4)C3)O2)nc1 247713628 LQRKRSGPTWOPLR-RXVVDRJESA-N 410.478 1.498 30 10 HDEE CON=C(C(=O)NN1CC(=O)S[C@@H]1c1ccccn1)c1csc(NC(C)=O)c1 254525144 YLCLQZCNKQQEQS-QGZVFWFLSA-N 419.488 1.757 30 10 HDEE CSc1nc(O)c(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1C#N 435899457 ZQIPODLLIRVQPP-UHFFFAOYSA-N 412.518 1.459 30 10 HDEE CC(C)Cc1nnc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(C#N)cc2)s1 439007898 VWHRNHCKFQIHHJ-UHFFFAOYSA-N 421.548 1.952 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1sc(C)c(C)c1C#N 441199448 PPRPHKRAAQVPBC-VDERGJSUSA-N 405.476 1.600 30 10 HDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2cnn([C@H]3CCOC3)c2)CC1 445706829 HYPXYPSYDVIAOF-CGZBRXJRSA-N 417.491 1.780 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC(C(=O)N(C)C)CC2)c(C#N)cn1CCOC 460107253 HTCGIGJQSHEKSX-UHFFFAOYSA-N 419.482 1.515 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(C)nc(N3CCCC3)c2)CC1 462271781 XTPSJCMLNHVVPO-UHFFFAOYSA-N 400.527 1.120 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(OC)c1 471942966 GFVINGSXKMSWOQ-INIZCTEOSA-N 417.509 1.150 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2C#Cc2ccccc2)C1 473312641 CTKQQIAWOJDRNC-LJQANCHMSA-N 404.470 1.945 30 10 HDEE COCCOc1cccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 480522969 JYVQBRLJKIILNI-OAHLLOKOSA-N 417.487 1.567 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)cs1 485414310 WLHIOCWLLPDTAO-CYBMUJFWSA-N 420.516 1.624 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 522535891 LZVXLLDMHVVUOS-DOMZBBRYSA-N 417.556 1.972 30 10 HDEE N#Cc1cccc(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 530914923 RLJRLMQLZDADTR-IBGZPJMESA-N 406.490 1.513 30 10 HDEE CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(c3cccc(C#N)n3)CC2)c1 545506175 OKOJFKYYSPHKJI-LJQANCHMSA-N 410.474 1.692 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 549250119 SHQGRDYWMSPOHP-KRWDZBQOSA-N 406.508 1.982 30 10 HDEE N[C@@](C(=O)N1CCN(CC(F)(F)F)C(=O)C1)(c1cccc(F)c1)C(F)(F)F 554644550 QVHIGHYCLQPQJY-CQSZACIVSA-N 401.282 1.775 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2C[C@H]2CCOC2)cn1 555474725 JDTCWQZISHTUQL-MRXNPFEDSA-N 419.493 1.308 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 558964956 PJTYHIHPNGFVAQ-QGZVFWFLSA-N 412.498 1.182 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC(CNS(C)(=O)=O)CC1 565732809 YVKYTEZSSMMLQT-UHFFFAOYSA-N 409.508 1.514 30 10 HDEE COCC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 569536110 AMDWQIKNJDFHKN-KRWDZBQOSA-N 409.508 1.127 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccco1)C(C)C 580640187 VYIZJDNVNQHYCR-MRXNPFEDSA-N 409.512 1.805 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 581897157 PQYHPGDLOCLPCK-SJORKVTESA-N 404.515 1.524 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@H]1CCCO1 603798063 IBSGUESAMQMHHM-MRXNPFEDSA-N 415.490 1.256 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 604170544 IHUKSWQSDAZWFJ-INIZCTEOSA-N 404.511 1.703 30 10 HDEE CNC(=O)CCOc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609212692 OAHWURRIDLFCSY-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE N#Cc1cc(N2C[C@@H](O)CC(F)(F)C2)cc(N2C[C@@H](O)CC(F)(F)C2)c1[N+](=O)[O-] 615732321 XIGKXXNCQMZOSW-STQMWFEESA-N 418.347 1.879 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2coc3ccccc23)c(=O)n1CC(N)=O 676559947 BCMLOCKFMAESMZ-UHFFFAOYSA-N 407.451 1.014 30 10 HDEE C=CCOCCNC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 679628453 AGZGNNDMDVVFHS-UHFFFAOYSA-N 407.467 1.382 30 10 HDEE Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1S(=O)(=O)NCC#N 726880232 SDGZIXHXMNGJQX-UHFFFAOYSA-N 412.471 1.941 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C[C@H]2CCCO2)cn1 730145251 YLWJVESFKVWRAM-HZPDHXFCSA-N 422.555 1.081 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 734275085 HEQGXWOWEBIQDB-KRWDZBQOSA-N 423.558 1.263 30 10 HDEE CCN(CC)Cc1cccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 737304787 BPLGQIULGILWLM-VHEBQXMUSA-N 413.478 1.110 30 10 HDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCN(c2ccccc2F)C1=O 746253372 KMIAFMFATPNXBN-MJWGMMHASA-N 400.410 1.306 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)c1 750696705 CRKURHQDOLJWLJ-INIZCTEOSA-N 407.517 1.596 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 755201611 DMOSXIGCZOBHAU-PVAVHDDUSA-N 421.519 1.300 30 10 HDEE COc1cc(C(C)=NNC(=S)NCCCN2CCOCC2)cc([N+](=O)[O-])c1O 764667221 YRMKXCQYXLAJDF-UHFFFAOYSA-N 411.484 1.219 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 767701798 CFZIBFXNPMRVNM-HNNXBMFYSA-N 412.483 1.804 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 773973539 RBPIUTUUOCMNBI-PBHICJAKSA-N 407.492 1.456 30 10 HDEE C#CCN(C(=O)NCCCc1cn(-c2ccccc2)nc1C)[C@@H]1CCS(=O)(=O)C1 774167035 HRPIVVYVIVYFGE-HXUWFJFHSA-N 414.531 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCCNc3ccc(C#N)cn3)c2C1 783551949 AMFVGZSEJXCOGB-UHFFFAOYSA-N 411.466 1.811 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 788272721 SOKHWKDTWOUEOI-MRXNPFEDSA-N 416.478 1.699 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)Nc2ccccc2S(C)(=O)=O)n1 789321280 WIXNRQBOHRZIDM-MRXNPFEDSA-N 418.519 1.395 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC1=CC(=O)n3c(nc4ccccc43)[C@H]1C#N)C2 796520100 NJWSFSKWUYFGGZ-PONJGIIJSA-N 406.442 1.735 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)n1cnc(C#N)n1 798397617 JCWVESDEYBJRCO-QQQNJIPZSA-N 401.452 1.162 30 10 HDEE C=CCN1CC[C@H](N(C)CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)C1=O 799141798 BZCHQBYTXJKOAJ-KBXCAEBGSA-N 410.396 1.672 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](CO)(c3ccccc3)C2)c1 801131101 RYLRQCATOONMML-JOCHJYFZSA-N 412.511 1.764 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cnc2c(Br)cccn12 808206515 JGPKBRKLNSISSJ-PEZBUJJGSA-N 404.224 1.952 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CCOC1 812385566 YAJBUCUTYWYIAH-JKSUJKDBSA-N 405.499 1.692 30 10 HDEE N#Cc1ncccc1COC(=O)[C@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1 813166702 GVWIFVYMJCWBSD-JNLAIUADSA-N 404.426 1.800 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2snnc2C)C1=O 813564118 UYRJHYKPJWGTHO-CYBMUJFWSA-N 400.489 1.986 30 10 HDEE COc1ccc(F)c(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c1 814851139 MPMBRWQCBGNYBQ-UHFFFAOYSA-N 407.471 1.611 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1OC 1135086486 WWOYNWTYZPHOLX-FERARWBSSA-N 403.431 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCCNc2ccc(C#N)cn2)C1 1141486995 LYDCQPGCJOQOGN-HXUWFJFHSA-N 403.483 1.633 30 10 HDEE CN1C[C@H](O)C[C@]1(C)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1144763096 KTKOTNNVQUNOFN-ZHALLVOQSA-N 421.339 1.613 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ccsc2C#N)CC1 1147254002 CZFOBCYBJQXNBA-ZDUSSCGKSA-N 422.507 1.774 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(n4ccnn4)CC3)C2=O)cc1 1151703073 YQGAXHVSBQSDNZ-KRWDZBQOSA-N 407.434 1.218 30 10 HDEE CCCCn1c(CCC(=O)N[C@@H](C#N)CO)nc2cc(S(=O)(=O)N(C)C)ccc21 1157963301 MHDWNYQACXNPHA-AWEZNQCLSA-N 421.523 1.020 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCC#C[C@H]1CCCCO1 1180363504 XAENABWYTCIQGH-OWYFMNJBSA-N 412.408 1.661 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)ccc1OCCOC 1192130568 CQAQGMUPPWFWPH-ZDUSSCGKSA-N 406.298 1.527 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCc3c(CC#N)cccc3C2)c(=O)n(C)c1=O 1196622687 JZECFHLSBOPAME-UHFFFAOYSA-N 409.490 1.092 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N=[S@](C)(=O)N(C)C)cc1)C1CCOCC1 1207978578 RITXEFHZFNRLNR-HPGBDJQBSA-N 406.508 1.951 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 1211629622 BCVWVWWMZSUBSO-UHFFFAOYSA-N 416.883 1.717 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(C#N)n3)CC2)cc1 1219254220 CMHPEFQPOCABBM-UHFFFAOYSA-N 413.459 1.694 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)c2)NC(=O)NC1=O 1251606015 NETKHGNIMBJZQE-SFHVURJKSA-N 402.407 1.230 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1286296662 QORMNHQKHDFBLZ-CABCVRRESA-N 406.483 1.856 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1286456410 QYDCNZYBYOCDAU-MSOLQXFVSA-N 413.453 1.424 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCNC(=O)C(C)C)CC1 1286474401 IUUNYGLRGIDHBT-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CC(F)(F)C2)CC1 1286490091 HAWOJNNAPYYYNF-UHFFFAOYSA-N 415.448 1.746 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1286491508 VCYHKHPMBYCVEQ-AVRDEDQJSA-N 415.538 1.535 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286638551 FJDMUYYANORPRN-YLJYHZDGSA-N 424.567 1.911 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1286729140 MQJLAFOGJWUVRK-UHFFFAOYSA-N 414.491 1.915 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCC(=O)NCc3cccnc3)n[nH]2)c1C 1292632577 QDNFOEVPFFXLAW-UHFFFAOYSA-N 407.478 1.907 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 1293032756 OMKOKELFIBJNDP-YFBFJXKUSA-N 418.494 1.665 30 10 HDEE C#CCC1(C(=O)NC2(CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCCC2)CCOCC1 1297798548 ACFABJJFYCYXQU-LFDJNIOPSA-N 400.519 1.775 30 10 HDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)C1CCN(S(N)(=O)=O)CC1 1299753837 HQBZYSVPIHNDSL-LBPRGKRZSA-N 418.441 1.862 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@H]2CCOC2)cn1 1300322598 UNYMHSWWXGHGFK-SJORKVTESA-N 411.510 1.259 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COCCO1 1300637939 BKSYJOUUDQPLSC-FOIQADDNSA-N 417.441 1.723 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCSCC=C)CC1 1300685337 LNQYZJYRWOPEHM-NRFANRHFSA-N 419.595 1.993 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCn2nc(C)nc2C1 1300972080 GRUAURDVMQRKRV-UHFFFAOYSA-N 400.487 1.027 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301044482 JKIRETZAENALQS-BYNSBNAKSA-N 400.932 1.651 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)COC)CC1 1301170511 YRFRUPGUEWNLAV-UHFFFAOYSA-N 418.542 1.602 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1C 1301339376 NNIXACGYTFACJN-KRWDZBQOSA-N 417.477 1.470 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(C3CC3)C2)C1 1301536433 WFFWDQRKPDRHAU-SJLPKXTDSA-N 402.543 1.682 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301611273 AMWLEZRCBHWIMV-CQSZACIVSA-N 415.585 1.219 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1301652938 PTDCLRPEJKJEHP-GOSISDBHSA-N 424.505 1.966 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccc2F)n1CCOCCS(C)(=O)=O 1301958289 AJDNSEFGVMOUAG-CQSZACIVSA-N 409.487 1.741 30 10 HDEE C#CCOCCN(C)C(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1306012954 BTDNNTAVKNSFPN-OAHLLOKOSA-N 414.549 1.396 30 10 HDEE Cn1cc(-c2cc3c(nn2)CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C3)cn1 1307970218 BTUQDPKAUWQZST-UHFFFAOYSA-N 408.487 1.581 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)on1 1313179310 LYKOAXKTTYKTAA-UHFFFAOYSA-N 401.398 1.894 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1314639539 WJVRXAVGXVQFNG-UHFFFAOYSA-N 403.446 1.568 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1316488764 ACJVKAIKGLNSNU-ORWJSBTLSA-N 418.473 1.840 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1-c1cccc(F)c1F 1319521166 SOTHALIPBMOERT-UHFFFAOYSA-N 405.389 1.852 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)C1(NC(C)=O)CCCC1 1347676556 HKYDPBLCLGCGOP-LFDJNIOPSA-N 403.523 1.665 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)c([N+](=O)[O-])c1 1357556474 FZUWJLKCDCJJBJ-UHFFFAOYSA-N 414.443 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 1358896743 LEDSBPZRKPTYBD-SFHVURJKSA-N 411.506 1.872 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)[C@@H](C)CC 1358946114 JJYSGGKKEWUGSL-INIZCTEOSA-N 407.522 1.992 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358983455 IXDIFWUGCGZEAJ-ZWKOTPCHSA-N 420.521 1.703 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1359011175 NCKYNSIIENXIDH-UHFFFAOYSA-N 411.478 1.498 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)CC1 1359167379 DPEKVPLXEVQOPN-UHFFFAOYSA-N 400.527 1.960 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1359226603 IUSUIWAFEZJUGJ-JKSUJKDBSA-N 404.471 1.644 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1COCCO1 1359514561 OKLDORZWFBMNGN-KRWDZBQOSA-N 411.510 1.584 30 10 HDEE COc1ccc(-c2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)s2)cc1 1439618723 YDWNZCFYHKJATE-UGSOOPFHSA-N 403.485 1.829 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)[C@H](C#N)C1 1445370231 KUQBFTDBXRELFP-RDBSUJKOSA-N 421.416 1.942 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1449347957 OMHQTBSZHORGKY-OAHLLOKOSA-N 416.544 1.361 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1450343911 PKAASXNANGIDSA-HKUYNNGSSA-N 415.287 1.959 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1455192102 QCYHAEBWQCWLDV-IRXDYDNUSA-N 407.555 1.589 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1456231286 ZDYMUEFRFCYZRV-JKSUJKDBSA-N 417.510 1.861 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccccc3-n3ncc(C#N)c3N)CCC2=O)cn1 1467882248 YVZGSHDECNCUJS-ZDUSSCGKSA-N 404.434 1.441 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1=O 1475241516 AEVMHXNQZGIHGB-HNNXBMFYSA-N 411.911 1.656 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1507641499 AGYVOVXPDOOYAH-JKSUJKDBSA-N 413.503 1.137 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CC(=O)N(C)C)CC1 1507722482 YNZCWBGNBKRIHL-INIZCTEOSA-N 414.485 1.401 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCn2ccnn2)CC1 1507743004 VFJIGNHQMCCQCC-UHFFFAOYSA-N 412.542 1.514 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1507844597 MBHUBWIQEBRNKX-SJORKVTESA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 1508076223 YGQMICZMDUHSTF-UHFFFAOYSA-N 400.439 1.845 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1508089228 WOFCBXVPMOQVNH-HIFRSBDPSA-N 404.515 1.807 30 10 HDEE CCO[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@@H]1CCOC1 1516306114 ATRGJCNBWAOMMV-FJCQRBJLSA-N 409.508 1.880 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N(C)C[C@@H](C)C#N 1519352994 CLLQGBVWKVNOCJ-DOTOQJQBSA-N 400.483 1.846 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)CC2)c1C#N 1524094545 DKWSIDBDDDJNIJ-RYUDHWBXSA-N 401.414 1.286 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cc(C)c(C#N)cn2)CC1 1526731000 SAFUHWYORLGOFQ-UHFFFAOYSA-N 401.467 1.509 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3cn(C4CCOCC4)nn3)c2C#N)C1 1529937672 BJICVNSCJQOQOK-UHFFFAOYSA-N 400.464 1.720 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nn1C 1530306546 MJAKOQWCJCNQMF-UHFFFAOYSA-N 402.461 1.464 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 1531180860 HIBWRKKCKUPSIG-CQSZACIVSA-N 406.504 1.814 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc(C#N)c(OC)c1)CCS2(=O)=O 1537448766 ZASGQJJBGRGPJF-XAUUPUKJSA-N 406.460 1.196 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1538963565 DDGRBEAFFZPCQL-KRWDZBQOSA-N 424.553 1.409 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1539065617 IWKAAFQRHWYKSI-GOSISDBHSA-N 402.543 1.581 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539116984 OVKAXXCNHRHIHS-JKSUJKDBSA-N 419.493 1.019 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCS(=O)(=O)CC)CC1 1539454117 WXEDZPUGCYXLGI-UHFFFAOYSA-N 419.526 1.198 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(C)CC(F)(F)F)CC1 1539829073 TUJPWUIWYXUUTB-ZDUSSCGKSA-N 424.493 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1nc2n(c1C#N)CCOC2 1540003170 JVEVCMLWBKLDQF-GFCCVEGCSA-N 407.496 1.966 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N2CCOCC2)CCSC1 1540069542 RXELGAXHGAMCFF-BEFAXECRSA-N 406.556 1.059 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](OCC2CC2)C1 1540873281 STRMDAIJDQUCGO-IBGZPJMESA-N 410.522 1.962 30 10 HDEE COC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1541004204 NLFRRCSBFSVSJJ-UHFFFAOYSA-N 406.391 1.927 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1542995057 HHVMEQFMVHXDJR-MRXNPFEDSA-N 418.505 1.882 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN([C@@H]3CCOC3)C2)cc1 1544463455 XZUVFAFBJDHSHV-AXNLMSORSA-N 406.508 1.159 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2c[nH]nc2I)c1 1544671026 RLKNLUPGGFHSLE-UHFFFAOYSA-N 408.199 1.706 30 10 HDEE CCc1nnc(N2CCC(OCC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546485758 NPFUUMVQRXGLDI-FMQUCBEESA-N 414.510 1.762 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1547241948 RDXVCOKRAIRZLD-CYBMUJFWSA-N 401.471 1.518 30 10 HDEE CCn1cc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)cn1 1547622895 GNXMHFYSLHWYRR-TXPKVOOTSA-N 403.462 1.709 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1557102539 GEDFDJWRJSKOBT-UHFFFAOYSA-N 413.455 1.587 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)o1 1557746951 YUKJQJIMROLSCE-IBGZPJMESA-N 411.458 1.903 30 10 HDEE COC(=O)c1oc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1C 1557861614 QEIVZGNOAGLBID-LBPRGKRZSA-N 405.432 1.230 30 10 HDEE COc1cc(N2C[C@@H](C(=O)NCC#C[C@H]3CCCCO3)CC2=O)cc(OC)c1OC 1558750251 BEAVVCRPVQSRTB-DOTOQJQBSA-N 416.474 1.754 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2occ(C(F)(F)F)c2C(=O)OCC)CC1 1559864820 VRVDBEQDPAIFSW-UHFFFAOYSA-N 401.385 1.342 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)C1CCOCC1 1565105395 HGEOXMVQARZVIQ-GOSISDBHSA-N 408.506 1.468 30 10 HDEE C#CCN(C)CCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1569839265 JAIZXBIHCFTLCW-CYBMUJFWSA-N 403.957 1.626 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)Cc2ccc(C)c(C)c2)cc1 1570097580 XTGOVETZTZFODA-IBGZPJMESA-N 400.500 1.548 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)cc1 1584633691 MITUUPQPMNNKMJ-SFHVURJKSA-N 416.455 1.251 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2ccc(OCC#N)cc2)C1 1586787943 XFAQLERAOJBSJU-MRXNPFEDSA-N 423.491 1.952 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCn2ccnc21 1588089900 QOBLSIXKYPVUBI-PGRDOPGGSA-N 408.506 1.777 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1588445933 USPJRIWPBGMEAR-HXUWFJFHSA-N 418.519 1.175 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC[S@](=O)CC)CC1 1588955209 RLLRXYGULUGOGF-GDLZYMKVSA-N 419.595 1.745 30 10 HDEE C=CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1594733390 SMFAUJLVHBJEPR-UHFFFAOYSA-N 410.526 1.745 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnn(C)c1C 1595496605 BCACDKDDZBIIOZ-UHFFFAOYSA-N 424.465 1.834 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1595577542 WPSHWGJRVATFAW-JOCHJYFZSA-N 424.505 1.327 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2=CS(=O)(=O)CCC2)cc1 1596420120 LHNUGBWWKBPHCY-KNTRCKAVSA-N 411.505 1.530 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1603333036 NADSHVNQAOROHO-IJYGLTAASA-N 402.499 1.476 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1Cc1ccc(C#N)o1 1608436620 AKQDMWRXXAZKBH-QGZVFWFLSA-N 421.461 1.982 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1611286029 BZEDMWIPOCPBQV-INIZCTEOSA-N 419.493 1.881 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1619911046 FCHLIMZOOVGMAT-OAQYLSRUSA-N 411.510 1.661 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccco1 1619911761 FWJWVKIUOPLZBA-IFXJQAMLSA-N 402.455 1.096 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1620054290 HETAYXIUTPQMPD-IBGZPJMESA-N 424.505 1.585 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C 1621679148 OHCZZTRPZOFSPI-GOSISDBHSA-N 423.560 1.912 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2S(C)(=O)=O)c1 1622243047 PDZUMHXQAQRMKP-UHFFFAOYSA-N 408.501 1.484 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1623676017 XOQVLNDNMKCUAC-ZWKOTPCHSA-N 408.543 1.611 30 10 HDEE N#Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)[nH]c2ccccc12 1624469306 LBDVEJXJTYTNHY-UHFFFAOYSA-N 423.454 1.412 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@H](c4ncon4)C3)C2)C1 1633922210 ITHMOKRRLIABEA-FEDUSRTKSA-N 417.466 1.756 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl 1635949015 NXAJOHYWXALGQB-UHFFFAOYSA-N 408.263 1.187 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2nc(-c3ccncc3)n[nH]2)CCN1Cc1ccccc1 1636253760 AWTJVIFZMLXSAX-GOSISDBHSA-N 402.462 1.786 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 1636623583 SBNMNLOVVOTCAN-AWEZNQCLSA-N 404.400 1.395 30 10 HDEE C#CCN(CC(=O)NCc1cccc(N(C)S(C)(=O)=O)c1)C(=O)OC(C)(C)C 1637101294 LIKJWGSGDIFAEY-UHFFFAOYSA-N 409.508 1.569 30 10 HDEE CON(C)C(=O)[C@@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1637402294 SUUXFMFDXKCTDN-CQSZACIVSA-N 411.466 1.188 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2ccc(F)cc2)s1 1637793308 WERTXIKTYDDULD-GOSISDBHSA-N 412.508 1.918 30 10 HDEE C#CC[C@@]1(C(=O)N2CC(N(CCOC)CCOC)C2)CCCN1C(=O)OC(C)(C)C 1639654358 ZWAQYBYVPKCFAV-QFIPXVFZSA-N 423.554 1.585 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(=O)c1cc2c(s1)CCCC2)c1cc[nH]n1 1639757979 WLLBNEPCSYSBNG-UHFFFAOYSA-N 418.475 1.633 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C1CCOCC1 1641858192 LGRWIBTVQOQJMJ-QGZVFWFLSA-N 413.503 1.704 30 10 HDEE C=CCN(C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)[C@H]1CCS(=O)(=O)C1 1642071930 LVQXTWPUXPLSIG-LSDHHAIUSA-N 414.524 1.214 30 10 HDEE C=CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1642117532 GMJVYQHWHXXITI-GOSISDBHSA-N 419.547 1.724 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)CC1 1642527014 CFBQKUNPSNRPKY-PMACEKPBSA-N 405.458 1.932 30 10 HDEE C#C[C@@H](NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1CCCO1 1642792098 YERRAZLFMRRXSF-MOPGFXCFSA-N 405.520 1.570 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nc(CC(=O)OCC)cs2)c1 1644546063 VUNVOTMIIWVUQM-UHFFFAOYSA-N 420.512 1.976 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)COc2ccc(C#N)c(Br)c2)n[nH]1 1648082114 MVSGXAYUPNOBJH-RISCZKNCSA-N 420.267 1.715 30 10 HDEE COC1(OC)CCOC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1648204871 WFPVKICEILVWTK-SFHVURJKSA-N 416.478 1.924 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CC1 1652164295 AWVDNGNAONQALF-MRXNPFEDSA-N 410.540 1.357 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)c1cccc(C#N)c1 1654149051 TXBGZGCZDVHWPA-GOSISDBHSA-N 402.495 1.603 30 10 HDEE Cc1nn(C)c(N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c1C#N 1654184613 XJAYMMDWSGKLPV-UHFFFAOYSA-N 402.458 1.022 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1654348880 XJOFRSLLDMLGHT-GOSISDBHSA-N 419.547 1.620 30 10 HDEE CN1C[C@@]2(C)CN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C[C@@]2(C)C1 1654415336 STCZFCDPDZKJSH-UIFIKXQLSA-N 401.580 1.731 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@@H]2CO)c1 1654760152 VYBKJFQBLBXGFE-QGZVFWFLSA-N 416.478 1.230 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OC(C)(C)C)C(=O)OCC 1665497267 PFMRRDWXMPIZPR-OLZOCXBDSA-N 410.920 1.701 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1673750059 JWTSVRARBCENTR-SFHVURJKSA-N 403.504 1.925 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@H](CS(C)(=O)=O)C1)c1ccc(Br)cc1 1683512029 FYBUDEQHESXBQY-GJZGRUSLSA-N 415.309 1.578 30 10 HDEE CC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cccc(OC)c1OC 1684834312 LHBWJIGGXUEOJP-ZBQZNYHESA-N 407.492 1.735 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1689848380 UMDDYWMUUUYOHJ-CYBMUJFWSA-N 405.462 1.578 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1689971993 DMPBCBZXOLJLCE-UHFFFAOYSA-N 400.508 1.290 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690321922 OQVDIWRPDZWVAL-XGHQBKJUSA-N 421.542 1.557 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690463071 UPHSBPBMUPYDAT-IRXDYDNUSA-N 416.526 1.413 30 10 HDEE C=CCN(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1690531257 GGPHALYQJAOEIN-SFHVURJKSA-N 403.552 1.967 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCOCC2)C1 1690699629 HGEUOXOGWGNFKC-QZTJIDSGSA-N 405.543 1.674 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(C)CCOCC2)CCOC1 1696084538 BUSLUWBSTHQNMA-OXQOHEQNSA-N 405.499 1.476 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCN2CCOCC2)cc1 1698487898 FBDVLUYRDRZEIV-UHFFFAOYSA-N 414.535 1.108 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1698491665 JTPQPQTVZFMMTJ-CQSZACIVSA-N 417.482 1.592 30 10 HDEE C=CC(C)(C)CC(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1702604525 UCCWBUVQPONNBX-GELUBGBASA-N 400.479 1.440 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1705490625 NSLGPYCWPUADSC-OAHLLOKOSA-N 414.510 1.575 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705510058 NFGAIKNGIUUSFT-PMRDEQMMSA-N 409.556 1.289 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCCN1CCOCC1 1705548705 QZQZOIDQVIDQMF-UHFFFAOYSA-N 411.506 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCN1CCOCC1 1705583735 IQFMQKRBNOTRAK-UHFFFAOYSA-N 413.472 1.942 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCNC(=O)C(C)(C)C)CC1 1705641414 DJWTVUZRCZARJJ-UHFFFAOYSA-N 422.577 1.981 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)n(C)c2=O)C1 1705922689 RBXDBCHCWIKGEB-DLBZAZTESA-N 412.494 1.066 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)C1 1706516503 CIVVUIZLTNHFGO-WMZOPIPTSA-N 400.531 1.631 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC(=O)N[C@@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1706593976 ZUZRBFRDIHAGKX-HZPDHXFCSA-N 411.466 1.177 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC1CCOCC1 1711267351 NFXUIAISPZHEIJ-KRWDZBQOSA-N 400.483 1.598 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1711520883 GGTRZOPKCDDAJI-NVXWUHKLSA-N 410.478 1.575 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)C1 1712694862 BLZHMKNFTNUIQA-KRWDZBQOSA-N 401.492 1.762 30 10 HDEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1722322356 KPXQHIURSSURSH-HMFYCAOWSA-N 415.538 1.981 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1722398600 DPTNRWHAACDFAR-FQEVSTJZSA-N 410.543 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1([S@@](C)=O)CCC1 1722401284 RPDBXUOLDOYHRG-MUUNZHRXSA-N 401.536 1.165 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1722430333 AXBZISSCVQEJCB-SFHVURJKSA-N 402.543 1.989 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1722469207 WKZMLFDLHZQDRB-XHIHJMKYSA-N 418.538 1.851 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722534933 SQQKMRGVWNRNIF-LJQANCHMSA-N 415.542 1.572 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nnc(C)s2)C1 1722709430 QHMLWWKSXZYQLF-OAHLLOKOSA-N 419.555 1.990 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nccs2)C1 1729308436 GYZRIFUVVSSIGY-INIZCTEOSA-N 423.502 1.939 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCCCC1 1730762933 BZXWOSJZRPIBBE-QGZVFWFLSA-N 404.515 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@H](C)C1 1740538510 NBOOERMBKASJLT-NNMXDRDESA-N 419.570 1.889 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740553895 NDJQXSRINMAZDU-IPMKNSEASA-N 416.570 1.920 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CC(C)(C)C2)CC1 1740696123 MNJRVYRCAWEWHV-KRWDZBQOSA-N 405.568 1.372 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN2CCN(CC)CC2)CC1 1740696184 NVEHOUWFFOFSGP-UHFFFAOYSA-N 415.630 1.650 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740747676 RMLSGAWAVZXCPB-OLZOCXBDSA-N 423.315 1.024 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1740953137 WTSANFLUFCWOQH-JKSUJKDBSA-N 404.515 1.628 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1741798424 IPBZZEMMLMMPDY-LBPRGKRZSA-N 411.919 1.623 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN(C(C)=O)C1 1748638004 HSCDZOMPZZAXJZ-RDJZCZTQSA-N 402.543 1.913 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCOc1ncccc1Cl 1748962703 OYSJJPSYRALPEP-HNNXBMFYSA-N 405.886 1.995 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(C(N)=O)CCCC2)CC1 1748992617 BBBIQKOJSGHUDB-UHFFFAOYSA-N 420.561 1.978 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](COC)C1 1749676417 PTFCRAKGNMELMZ-MRXNPFEDSA-N 403.458 1.162 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC3(CCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681792 IXZBHIIVWVGZOU-OAQYLSRUSA-N 419.526 1.380 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1749745228 WPQXDEFNUPRPEQ-OAHLLOKOSA-N 416.617 1.338 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760134903 BTKVNCLTIAWWSY-UHFFFAOYSA-N 421.549 1.853 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1760194811 QXEPHBXIOVUYBL-QGZVFWFLSA-N 417.510 1.553 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1760495761 WKGLCRSDFDLYNG-OAHLLOKOSA-N 403.508 1.811 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC=CCO1 1761481697 SQXVYMPRTBSHTR-ZBFHGGJFSA-N 408.528 1.363 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2ccc(C#N)o2)CCOC1 1765933652 JVMBWDGQKKKLDQ-CFLQYTFWSA-N 401.467 1.650 30 10 HDEE CN(Cc1ccoc1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1767148682 QYHPFUSTLIGEIM-UHFFFAOYSA-N 414.491 1.985 30 10 HDEE COC[C@@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769431562 FPEYSIUDCMFLJO-ZBBYCGENSA-N 416.526 1.866 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1770637109 HPBMWFSQVGCWPE-OFGXNVERSA-N 413.457 1.604 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)CC1 1771536482 UWBMRPSZCKYUMR-KRWDZBQOSA-N 402.499 1.336 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCC(=O)N1 1772516577 CUDJFUPSLRCHQX-QGZVFWFLSA-N 407.474 1.607 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3cccc(Cl)c3)CC2)CC1 1848822852 NLPQYXDBRYMMIL-UHFFFAOYSA-N 424.954 1.845 30 10 HDEE O=C(NCC#CCN1CCc2ccccc2C1)c1ccc(OCc2nn[nH]n2)cc1 1850334220 JSCLRXUTUJVIFG-UHFFFAOYSA-N 402.458 1.570 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C#N 1851482421 RPLWDLWYJSUHMP-UHFFFAOYSA-N 401.492 1.722 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O)n1cncn1 1853774129 VJMHUDQAVGAICS-MJGOQNOKSA-N 406.490 1.914 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cccnc3)C3(CCCCC3)C2=O)CC1=O 1854109622 SHBWUEXQVADVST-IBGZPJMESA-N 410.518 1.990 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(c4nc(C(C)C)no4)C3)CC2=O)CC1=O 1854316847 DBTGRBPAWSZXKE-GJZGRUSLSA-N 415.494 1.002 30 10 HDEE Cc1noc(C)c1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854353536 NXIZXGRSRQZNMG-IBGZPJMESA-N 407.474 1.722 30 10 HDEE CC(=O)N1CCC[C@H]1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1 1854453337 ZBUBGMFLOHHAFK-INIZCTEOSA-N 402.882 1.701 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC(Cn4nccn4)CC3)CCC2=O)c1 1854758285 FCJYMSNKPYYMGG-LJQANCHMSA-N 406.490 1.941 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855312749 XJCYBRPTCLKCFD-AEFFLSMTSA-N 409.552 1.382 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC[C@@H](Oc4ncccn4)C3)CC2=O)c1 1855729160 DTWMPEBBPZPMRG-IEBWSBKVSA-N 405.458 1.880 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1856108129 RHJGLPPHDLTWMR-UHFFFAOYSA-N 417.409 1.551 30 10 HDEE Cn1cc(C(=O)N2C[C@H](C3CCN(Cc4ccc(C#N)cc4F)CC3)CC2=O)nn1 1856164445 FYLXFRLIBNVAQG-QGZVFWFLSA-N 410.453 1.727 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)C2CC3(CCC3)C2)C1)C1CN(c2nccnc2C#N)C1 1856234087 VSBSWIVNMQRSMX-OAHLLOKOSA-N 408.506 1.424 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)c1 1856330415 QWLIQGPHYILXKH-KRWDZBQOSA-N 415.515 1.448 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1=O 1856338361 QWLFGWOGVHIUSI-JKSUJKDBSA-N 408.499 1.375 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 1856554038 XJSGSMJUKZIODB-SFHVURJKSA-N 418.519 1.448 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C1(C)C 1856767796 QAPWEBZWBLYLBW-HOTGVXAUSA-N 424.567 1.332 30 10 HDEE C[C@@H](CC(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1ccnc1 1857074093 BCHZBFCEDUKUNG-FUHWJXTLSA-N 407.478 1.051 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2cc(C)ccc2C)C1)[C@@H]1CCN(C)C1=O 1857316133 FVSOJRWSGUSXOF-RBUKOAKNSA-N 413.518 1.776 30 10 HDEE COc1cc2cc(C#N)c(SCC(=O)N3CCN(C=O)CC3)nc2cc1OC 1858202941 APIMIECYMWDGCV-UHFFFAOYSA-N 400.460 1.516 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858298153 GRJYEKPWVBVJMQ-GJZGRUSLSA-N 408.380 1.442 30 10 HDEE C=CCNC1=C(c2cccs2)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1863802451 OQFKSJXYHSBDRL-UHFFFAOYSA-N 403.485 1.451 30 10 HDEE N#Cc1nnn(-c2ccc(F)c(F)c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144004 KHDNPQLIJXNVGQ-UHFFFAOYSA-N 408.324 1.652 30 10 HDEE C=CCn1cc(OCC(=O)N(CCC)CCC)c(=O)cc1CN1CCN(C)CC1 1870460795 MOBKPLGHANMRGU-UHFFFAOYSA-N 404.555 1.809 30 10 HDEE C=CCN=c1nc(N(CC=C)CC=C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632046 ITPZYISWPBNLNG-UHFFFAOYSA-N 405.462 1.461 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2[N+](=O)[O-])n1/N=C/c1ccc(O)cc1 1874295037 GZYQYUPVBOOBCC-KEBDBYFISA-N 412.431 1.942 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C(F)(F)F)cn3)CC2)CC1 1889238529 FCQRCRFXZLPTKG-UHFFFAOYSA-N 424.467 1.972 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1982281988 SDFUHAQYJOHIOT-AWEZNQCLSA-N 413.334 1.840 30 10 HDEE Cc1cc(C#N)c[nH]c1=NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2112284220 FQFFCJOLTRYUCL-LJQANCHMSA-N 416.434 1.450 30 10 HDEE COC(=O)[C@H](C)CS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2183618948 GFKOMQQPESJYJF-LLVKDONJSA-N 403.331 1.276 30 10 HDEE N#Cc1ccnc(N2CCN([C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3O)CC2)c1 2195969821 HCWMWFGTMBOCCR-UXHICEINSA-N 407.474 1.457 30 10 HDEE C[C@H](NC(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2203126428 PGYLOMYBUMKHKI-LLVKDONJSA-N 402.347 1.579 30 10 HDEE CC(C)(C)OC(=O)NCc1nnc(NS(=O)(=O)CC2(C#N)CCOCC2)o1 2203638268 PPAIAXSMKSJIQZ-UHFFFAOYSA-N 401.445 1.156 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)N2CC[C@H](C#N)C2)(C(F)F)CC1 2235751374 JYAOBIPMXHYUNO-GFCCVEGCSA-N 408.471 1.701 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)C1 2243257060 AEYOQFBALGMUMK-CELYABABSA-N 423.510 1.390 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](CO)C1 2243394146 CTXJZAJLNKAXBZ-LSDHHAIUSA-N 408.304 1.355 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243423659 CSVCHZNOYZSLED-NEPJUHHUSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@@H](O)C1 2243673986 CYDHFSBXTYGPCF-LSDHHAIUSA-N 408.304 1.355 30 10 HDEE CC1(C)OB(c2cnccc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2247781196 OELLNHIYVMPGCS-UHFFFAOYSA-N 413.205 1.131 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826157 PEWDKHNMZFDSSD-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)n1 2247837696 WTSZNCSHOHBTMZ-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2247858194 LLVHBVWBHQFZCX-UHFFFAOYSA-N 409.295 1.769 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@]34C[C@@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2247915790 JNWRCOLNXFGULG-ZHRRBRCNSA-N 408.311 1.713 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@H](O)C3)cc2Cl)OC1(C)C 2267356468 YJKVZFIGTWFAPG-UWVGGRQHSA-N 407.750 1.892 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCc2csc(O)n2)OC1(C)C 2267729886 QYGWPHXBRUXHFF-UHFFFAOYSA-N 402.328 1.688 30 10 HDEE C#CCCN(C(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270501246 VCSYXCMZODGXDO-KRWDZBQOSA-N 424.519 1.908 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270541063 VZBUJVJAOARMTQ-GOSISDBHSA-N 424.519 1.766 30 10 HDEE C[C@@H](CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2281819284 MMPFMRDQUKKGEA-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCS(=O)(=O)C(F)(F)F)s2)OC1(C)C 2282200649 QDZNMFOQQKNSNZ-UHFFFAOYSA-N 413.248 1.712 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]([C@H](C)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314544 AWLGJSOMRXTNLM-QWHCGFSZSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C(=O)N(C)C 2282317564 STTOOFAZPJLLFQ-SNVBAGLBSA-N 402.347 1.111 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CC[C@H](N)C3)s2)OC1(C)C 2282329188 JHDVBSVGARRHSW-STQMWFEESA-N 400.375 1.843 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282492873 QSEGXZAYCVMSIC-TZMCWYRMSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[S@@](=O)CC2)OC1(C)C 2282495568 OAGHGYHAJGHJDY-RUZDIDTESA-N 419.399 1.332 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499969 GYYGESAGTQGYIL-STQMWFEESA-N 418.415 1.170 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CNC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282506183 OPKMJUWMSSUXDZ-GXFFZTMASA-N 400.375 1.550 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CN1 2282512685 VAGCQLCDQOKDRF-YPMHNXCESA-N 400.737 1.668 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(S(C)(=O)=O)CCC3)ns2)OC1(C)C 2282602884 YZAILXSNACMFQI-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282833755 JUPICUKMTGRJSC-CYBMUJFWSA-N 401.359 1.819 30 10 HDEE C[C@@H](CC(N)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282846739 NVBKDOWZYKJEGO-VIFPVBQESA-N 422.765 1.585 30 10 HDEE CC(C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2282870015 LIFWOCZNKHLVDE-CQSZACIVSA-N 400.375 1.856 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](CN)C(F)(F)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2282883340 ZBHMYZJFVVLSKC-VIFPVBQESA-N 408.198 1.618 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC(F)(F)CC(=O)O)OC1(C)C 2284402331 IMHYURIDOXUNNW-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](F)[C@@H](C(=O)O)C3)s2)OC1(C)C 2284412722 XJSCOLFMTTYNID-VHSXEESVSA-N 405.278 1.091 30 10 HDEE CCCOc1ccccc1C=Nn1c(CNC(C)=O)nnc1SCC(=O)OC 2330772806 UQENSNHBPJXDLT-UHFFFAOYSA-N 405.480 1.850 30 10 HDEE CCc1csc(C#C[C@H](N)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338647111 MBFGHBFZEDUBMM-KBPBESRZSA-N 401.554 1.712 30 10 HDEE CN(CC1(O)CC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2340154950 CBRUCRZEDVZBAO-UHFFFAOYSA-N 407.750 1.846 30 10 HDEE Nc1cc(Br)cc(Br)c1S(=O)(=O)NCCC#CCO 2343620587 AKKAUXTVKIYOQD-UHFFFAOYSA-N 412.103 1.458 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2365206148 FVUGQWCYRKEDHL-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2365213698 XYEITCJFYNERKS-HNAYVOBHSA-N 402.557 1.553 30 10 HDEE COc1[nH]c(=NCc2c(Br)nnn2C)ccc1B1OC(C)(C)C(C)(C)O1 2365343817 FYVSIMUBUFWXBE-UHFFFAOYSA-N 424.108 1.314 30 10 HDEE COCCn1cc(C#C[C@@H](NN)c2cc(I)sn2)cn1 2366026045 XYMMYRJVDWHCAM-SNVBAGLBSA-N 403.249 1.147 30 10 HDEE CCCN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCS(=O)(=O)C1 2368850612 FFFHAZMAXJLBEY-CYBMUJFWSA-N 400.375 1.841 30 10 HDEE CN([C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)S(=O)(=O)CC1(C#N)CCOCC1 2369657389 SLDUFHINTYJBGS-KBPBESRZSA-N 405.492 1.526 30 10 HDEE N#C[C@H]1C(=O)N=C2NC(N3CCCC3)=NC(O)=C2[C@H]1c1ccc2c(c1)OCCCO2 72461379 IOKMGXSYIWPDEI-CJNGLKHVSA-N 407.430 1.835 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cc(-c3nccn3C)[nH]n2)cc1 429963363 KUJDYLBVEFUKIY-UHFFFAOYSA-N 415.479 2.261 30 10 HDEE Cc1c(C#N)c(NC(=O)CSc2nnc(CO)n2C)n(Cc2ccco2)c1C 431224130 VLILBVFIFQZJCC-UHFFFAOYSA-N 400.464 1.970 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 432949729 PPSAWCVGBSSTMX-UHFFFAOYSA-N 400.460 1.211 30 10 HDEE CC(C)n1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 435073896 RBLGHLKPIYFNIW-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(O)nnc3C2)n(-c2cccc(F)c2)c1C 460393011 MDGGNTCMPUHJTE-UHFFFAOYSA-N 409.425 1.856 30 10 HDEE CCc1nc(C)c(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)s1 472870533 COEKETDFBOKREE-UHFFFAOYSA-N 401.496 1.215 30 10 HDEE CC(C)OCCN1CCC(NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 476445488 BGKRMQKENRGCDQ-UHFFFAOYSA-N 400.527 1.674 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 478878491 ZSVQACCHFYIZEZ-TZIWHRDSSA-N 401.507 1.911 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](OC)C[C@H]3CC(=O)OCC)cc2C1=O 479039583 GSNGZYIVZGJZCA-LSDHHAIUSA-N 400.431 1.651 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCO[C@H](COc3ccccc3)C2)CC1 484556657 KZNQUMJBUCOGRX-SFTDATJTSA-N 400.523 1.459 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c(F)c1 513441452 ALEJGTUVZVJGKY-UHFFFAOYSA-N 405.448 1.071 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(N4C(=O)CNC4=O)c3)cc2C1=O 516072329 GJNPMAGEGRGJCN-UHFFFAOYSA-N 404.382 1.777 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC(=O)N4)CC2)n1 544849619 SLJCTMNOCLRDPK-UHFFFAOYSA-N 411.487 1.739 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2cccc(C#N)n2)CC1 544876634 BPCUMJLVCPBLAQ-LJQANCHMSA-N 404.518 1.813 30 10 HDEE CN(C)CCOc1ccccc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 545467129 RGLUQZLEIGTLGV-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNC(=O)N3CCc4ccccc4C3)CC2)n1 546905551 QHXWOJWAIQYJEQ-UHFFFAOYSA-N 418.501 1.760 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)CC2)n1 546925118 RWBQFPZHFFFISI-UHFFFAOYSA-N 411.487 1.315 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H](N3CCOCC3)C(F)(F)F)CC2)n1 553968761 FVNHSGYHXBXUOO-OAHLLOKOSA-N 412.416 1.048 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN(C4CC4)C(=O)C3)n2C[C@H]2CCOC2)cc1 559198134 UZARIUUSNRCIFZ-QGZVFWFLSA-N 422.489 1.576 30 10 HDEE C[C@@]1(c2ccc(F)cc2)CC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 568574241 IBVUQJHZRDQIHO-IBGZPJMESA-N 401.419 1.583 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)CCN2C1=O 610601166 KQERERQCJWFGAA-KRWDZBQOSA-N 405.414 1.854 30 10 HDEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615456500 FWGZMSVXMAHFLJ-HNNXBMFYSA-N 413.503 1.355 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C2CCCCC2)c1 679532148 IYMNEGYPOBFKDP-UHFFFAOYSA-N 423.535 1.897 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 728863148 DKECPGBOZHHYJX-LJQANCHMSA-N 416.497 1.638 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc(SC)c2)C1)[C@H]1CCS(=O)(=O)C1 729332739 WNCKJKAIGLTETG-HOCLYGCPSA-N 406.529 1.410 30 10 HDEE C#CCN(C(=O)C[C@H](NC(C)=O)c1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 729333345 WYXPPOVLAPDOPA-AEFFLSMTSA-N 406.504 1.302 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCOC)c1 730144495 NVOZMZRGNWVDBU-SFHVURJKSA-N 416.547 1.704 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCOC)c1 730144701 QTZPLIPIWANUBR-QGZVFWFLSA-N 402.520 1.314 30 10 HDEE CSCC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732647608 GSSKDIRUFPZHRK-ZJPYXAASSA-N 418.563 1.482 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CCN1C1CC1 732700362 RFQQYYJDZAABER-MSOLQXFVSA-N 418.519 1.843 30 10 HDEE N#C[C@H]1CN(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCN1C1CC1 732701606 NUTBCLJKBCGJOC-FQEVSTJZSA-N 410.522 1.107 30 10 HDEE C#CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 733163113 FSWCTKGDJIETPR-UHFFFAOYSA-N 409.939 1.518 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1nc(-c2cccc(Cl)c2)no1 746021540 HOKRQBYKOGWCTJ-FBMGVBCBSA-N 401.810 1.923 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C#N)cn2C)cc1 751733768 IAJVKCZAOYXPAS-ZDUSSCGKSA-N 418.475 1.767 30 10 HDEE CC[S@@](=O)CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 753006475 QLUWSIMTAZRKKQ-MUUNZHRXSA-N 402.524 1.635 30 10 HDEE C#CCN(C(=O)CNC(=O)c1sc2ccccc2c1Cl)[C@@H]1CCS(=O)(=O)C1 757906248 UJEVEAQGEBEFSO-GFCCVEGCSA-N 424.931 1.933 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OC2CCN(c3ccncn3)CC2)cc1 759491267 KTSJYZSINSKOJX-UHFFFAOYSA-N 415.475 1.494 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760406581 RMOPHHPKGAGPMG-INIZCTEOSA-N 406.508 1.756 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1ccccc1 769521244 JXDZLFJNGUJECM-FQEVSTJZSA-N 405.451 1.982 30 10 HDEE C#CCN(C(=O)NCc1nn(-c2ccccc2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 774178287 KTSNVFQYGIGYDG-QGZVFWFLSA-N 412.515 1.693 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 780939006 GLKANKWEGZCNBB-SFTDATJTSA-N 404.470 1.541 30 10 HDEE CO[C@H](CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 787340271 GGYGWDDKGXJPGR-GXFFZTMASA-N 407.414 1.587 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(C2=O)[C@@H](C)CCC[C@H]3C)n1 788365066 FGUAZEPDMYZJLX-LFUKPOHLSA-N 401.511 1.669 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)n1 788613831 ZDBAAESCKHAGSC-UHFFFAOYSA-N 405.480 1.153 30 10 HDEE CCCn1cc(C=Nn2c(-c3cnnn3C)csc2=NC[C@@H]2CCCO2)cn1 794839539 SRLXRPQXDBULCY-HNNXBMFYSA-N 400.512 1.914 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC[C@H]2C)cn1 795185953 ZUQWDLJLYQBKJS-FVQBIDKESA-N 406.556 1.701 30 10 HDEE C#CC[C@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)CCCN1C(=O)OC(C)(C)C 809710936 DIQOGLZMCMQGQV-YCRPNKLZSA-N 418.494 1.274 30 10 HDEE C#CC[C@]1(C(=O)NC2CCC(C(=O)NC(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 809719376 YQTGAYFSPZMHQS-ZGDBYOLNSA-N 420.510 1.649 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3cn([C@@H]4COC[C@H]4OC)nn3)cc2C1=O 811089467 OSRUFVVSJUYOTC-IAGOWNOFSA-N 412.402 1.003 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 816994138 GZGUWOUPNTZPSF-QGZVFWFLSA-N 403.458 1.807 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192985 TZOKOHRNUNULQK-KKSFZXQISA-N 423.558 1.440 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cc1 1084485266 AMDDKCJSXYCKCG-UHFFFAOYSA-N 418.508 1.942 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cn1nc(C(F)F)cc1C(F)F 1124650153 FZXRENAJGWJJCA-UHFFFAOYSA-N 401.324 1.828 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccc(I)cc1-n1cnnn1 1131949106 GLFKRDVBLXCIQD-NSHDSACASA-N 411.203 1.035 30 10 HDEE CON=CC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1142202143 DINSOOUGTWARMV-CABCVRRESA-N 409.487 1.013 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N[C@@H]3CC[C@H](C#N)C3)CS(=O)(=O)[C@H]2C1 1142772824 ADLUWPHEGNJLCL-RBZJEDDUSA-N 411.524 1.465 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(CO)CCc2ccccc21 1144669236 NIVVLASUOADLPR-BTYIYWSLSA-N 413.499 1.218 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1167136805 AXSNWDXKPKJKTP-UHFFFAOYSA-N 400.460 1.136 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCN(CCCCCO)CC2)CC1 1174994991 ZNFRMPHHEWJZJT-IBGZPJMESA-N 419.595 1.237 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CCC(c3ccc(C#N)cc3)CC2)[C@H]1c1cnn(C)c1 1179393678 GBBXOMFBOYIMAB-VAMGGRTRSA-N 407.474 1.188 30 10 HDEE N#Cc1cc(F)c(C(F)(F)F)cc1N1CCN(C(=O)CN2CCOCC2)CC1 1184730292 UJUFQVJPNGBUEF-UHFFFAOYSA-N 400.376 1.697 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H](C(=O)OC)c2ccc(C#N)cc2)CCO1 1196554758 YKIGISHNBVKVDZ-UWJYYQICSA-N 404.463 1.831 30 10 HDEE CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1CC#N 1213298963 IDGUYVPTZNHGME-UHFFFAOYSA-N 401.444 1.783 30 10 HDEE C[C@@H]1[C@@H](C)N(S(=O)(=O)c2cc(Br)ccc2C#N)[C@H](C)C(=O)N1C 1213519320 FNSGFRHJOSRZHF-GMTAPVOTSA-N 400.298 1.949 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1221877317 PZDUSNSLYVJRJD-SFHVURJKSA-N 419.522 1.995 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)on1 1227633213 VZSTUGZQJXMVRE-INIZCTEOSA-N 411.418 1.323 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 1235494361 CMJLBNDEPNNCSM-MRXNPFEDSA-N 414.462 1.985 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 1264565053 PCUTXVZVVGDRAB-LJQANCHMSA-N 420.485 1.896 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286340061 VIWDXLMUPIXPGL-SFHVURJKSA-N 412.519 1.748 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)nc1 1286363874 SXNKWYDSKYXTFD-KRWDZBQOSA-N 414.510 1.351 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1286443390 FYNSJARODRQOGU-KRWDZBQOSA-N 410.478 1.214 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@](C)(O)c2ccco2)CC1 1286472321 RYEINYVWFZIPHQ-DYESRHJHSA-N 417.510 1.258 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ncccc2F)CC1 1286481836 YGCNLECHZSDRHD-INIZCTEOSA-N 400.458 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)C(C)C)CC1 1286495379 ZSJZHODPBZVRBC-IBGZPJMESA-N 416.570 1.478 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1286623057 VDDADXAZVQOFAX-HNNXBMFYSA-N 409.922 1.815 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnn(C)n1 1286765453 GAKQOVXXMYZGGL-UHFFFAOYSA-N 406.853 1.948 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1295058456 UIKJWKVYMRTWCE-UHFFFAOYSA-N 417.473 1.958 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC1 1297517193 NIKMEQPKYJGSMN-FUHWJXTLSA-N 408.543 1.065 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299472266 FXHSXQYEVKZBRF-XITVERIXSA-N 422.529 1.400 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1300313854 QASLMRHIWATOSI-OAHLLOKOSA-N 420.510 1.406 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1300424929 PFBJCICGKNMRSP-NRFANRHFSA-N 403.527 1.648 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)CC1 1300691465 ZSHAMOJLOCWKDW-UHFFFAOYSA-N 413.913 1.275 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@H]2CCOC2)CC1 1300725880 LECDPCUMAONZCF-SJLPKXTDSA-N 401.511 1.174 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](COC)C1 1300778624 BNIJXMKJLGYQHE-BBWFWOEESA-N 410.540 1.220 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1301272226 DOHCASICDQBPIC-CQSZACIVSA-N 407.540 1.786 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1301295419 JOJIASFGMHRLNO-ZDUSSCGKSA-N 424.552 1.200 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CCC1CCOCC1 1301579493 SRIXHVRICFUVTC-UHFFFAOYSA-N 420.539 1.589 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1301688907 YMNHITCTWRFMCG-RCCFBDPRSA-N 402.499 1.159 30 10 HDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1303652055 GQPPNJBCNOCJEU-QVKFZJNVSA-N 414.510 1.836 30 10 HDEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1303686471 JHLFUCPGWNRQNH-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2ncc(C#N)cc2F)CC1 1306930786 CBNBSEJWXVTECO-UHFFFAOYSA-N 422.438 1.600 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1309338251 NXJFKDGYFURAMM-UHFFFAOYSA-N 411.274 1.339 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1)C(=O)OC 1309763195 XGELZRMYLJCOIK-AWEZNQCLSA-N 416.521 1.257 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1313020996 JBULMKBYPPVLGC-UHFFFAOYSA-N 402.561 1.416 30 10 HDEE CCCNC(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1313482890 BIKMCIJDDGLSKP-MRXNPFEDSA-N 400.458 1.653 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2cccc(C(N)=O)c2)cn1 1314898606 CRTOKKMHMNZEKC-UHFFFAOYSA-N 404.478 1.956 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1314966837 VIGGFPGELQBFRO-YADHBBJMSA-N 424.505 1.585 30 10 HDEE CS(=O)(=O)CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1316341336 KYKCCJIQSBPCNO-UHFFFAOYSA-N 422.555 1.469 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1358890609 RYNRPMZYARMONV-AVYPCKFXSA-N 420.510 1.685 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1358964306 XFGFWIRJPQTCTG-HUUCEWRRSA-N 416.494 1.528 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359055702 MXYPOAKUGQXTIF-MRXNPFEDSA-N 416.551 1.679 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C)C1=O 1359063458 TWWBSGKUTRKCPY-NHCUHLMSSA-N 400.527 1.667 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1359272083 KJBMXXZKOODLAL-MRXNPFEDSA-N 404.540 1.757 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCC2(O)CCOCC2)C1 1359319767 FROJKJWVQCWDEU-ZWKOTPCHSA-N 406.527 1.885 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cnnn2C)CCOC1 1360339728 WNCSULCSUXLNEY-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)nc1 1439618218 WBCHRBPTVVYESA-JXFKEZNVSA-N 408.439 1.756 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NC(C)(C)C 1441257268 VPLJOFRXAYEEBI-LBPRGKRZSA-N 411.952 1.856 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCC2CCN(CC#N)CC2)n1 1443987542 BFHFLGBLSATMHC-UHFFFAOYSA-N 404.515 1.763 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC[C@H]1CSc2ccccc2O1)c1cc[nH]n1 1452156858 BCEWVSQGMDPDHD-ZDUSSCGKSA-N 418.475 1.753 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1453543176 AOCYDNHBBBEGKC-BTYIYWSLSA-N 419.478 1.440 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1nn[nH]c1C(=O)OCC 1455641093 PRCVEWLXKKAWFL-UONOGXRCSA-N 419.482 1.952 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCN([C@H](CO)c4ccc(Cl)cc4)CC3)nc12 1459462756 CRRVBLTUWMJMAU-GOSISDBHSA-N 412.881 1.811 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1OC)C(=O)OC 1462164660 QIWLEJJAARVPCP-INIZCTEOSA-N 412.508 1.963 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@H](C#N)C3(SC)CC3)C2=O)cc1 1462375233 FHJCAQHNYZTDFF-BEFAXECRSA-N 416.503 1.708 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)CC[C@@H]2CCc3ccccc32)CC1 1463163585 AOJYCQCXQBYBFD-IBGZPJMESA-N 403.548 1.193 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)c1 1464293771 XIEFPYQRTUAGET-ORIIVFLWSA-N 406.508 1.730 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(=O)N[C@H]4CCCC[C@H]43)CC2=O)cc1Cl 1466028045 ICLCISCRQNPJBE-XOKHGSTOSA-N 400.866 1.834 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1466822978 WERDZRSMHHGHMU-JKSUJKDBSA-N 422.407 1.971 30 10 HDEE C[C@H]1c2nncn2CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466884277 PVRHWVMPOWGRBH-UTFQJDELSA-N 400.483 1.968 30 10 HDEE C#CCN(C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1470871266 QLQVNPAHYVAICA-HVEKOLDVSA-N 411.524 1.218 30 10 HDEE CO[C@]1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 1471401064 WGGXCUPLYHHINN-IBGZPJMESA-N 407.492 1.315 30 10 HDEE Cn1c(=O)n(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc21 1472618159 NGKQURPTRCAXMG-UHFFFAOYSA-N 408.414 1.244 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2CCN(c3ccc(Cl)cc3F)C2)c(=O)nc1O 1479085299 GEWGXGSWRJURSE-ZDUSSCGKSA-N 420.832 1.191 30 10 HDEE CN(C)CC#CCNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1479454639 HFVGWGHYEQHLDB-HNNXBMFYSA-N 402.499 1.138 30 10 HDEE CCOCCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1503224113 WTOOCMAAAUTESG-UHFFFAOYSA-N 421.505 1.935 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1NC(=O)CC1(C)C 1505056989 OLPQKQFQZIDWRC-AESZEHBQSA-N 404.515 1.655 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1507588042 FBMBBLLAMMWSHC-MRXNPFEDSA-N 407.540 1.042 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCNS(=O)(=O)Cc1ccon1 1507667171 LXSNTOMPHMPEAE-UHFFFAOYSA-N 416.507 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1507668444 ZYBQVVFDGDPPSJ-UHFFFAOYSA-N 412.519 1.147 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1COCCO1 1507708753 MFIOKUXLTBQFHS-KRWDZBQOSA-N 416.478 1.464 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1ccnn1 1507711230 RECLMSOKCREJIH-IBGZPJMESA-N 423.477 1.558 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1507736341 IYFILLZZGBVRKH-HKUYNNGSSA-N 422.533 1.979 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1507835092 KQELVZWXRFDGBX-UZLBHIALSA-N 404.515 1.547 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1507847285 JHPNYJOWWGRKOG-NRFANRHFSA-N 413.526 1.449 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(n2cc(Cl)cn2)CC1 1508093541 IOMAIHRMPGQCSP-UHFFFAOYSA-N 407.906 1.808 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1508422179 HVRYNVDVMJRKEV-GDBMZVCRSA-N 422.468 1.814 30 10 HDEE CCCCN(CC)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1514453765 SYSATGFTISSFPW-ZPHPHTNESA-N 410.482 1.888 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnn(C)c1C 1516592830 UUTLIFNATNNSOW-UHFFFAOYSA-N 421.509 1.498 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 1524967584 AXWWPZWXAVXHSV-UHFFFAOYSA-N 410.474 1.278 30 10 HDEE Cn1nc2c(c1C(=O)Nc1cccc(C#N)c1Br)CS(=O)(=O)CC2 1529428243 QHQHXYCWXLSCBJ-UHFFFAOYSA-N 409.265 1.777 30 10 HDEE C#CCN(C(=O)c1nn(-c2cccc(F)c2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 1530297271 IIQWUXPRTXSQMX-INIZCTEOSA-N 401.463 1.763 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1535463741 CATGKJJUGROIRN-HOCLYGCPSA-N 402.882 1.891 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539062430 ACASYHPEULICIB-GOSISDBHSA-N 421.505 1.910 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CCc2ccccc2)C1 1539175439 XZOXECSQZRSKOG-WOJBJXKFSA-N 406.534 1.863 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CCC2)CC1 1539447861 XOYQLPHVZWYZOA-KRWDZBQOSA-N 421.567 1.242 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCS(C)(=O)=O 1539567291 VDMCUYZJSMJRJR-HXUWFJFHSA-N 413.503 1.765 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1539729089 FUBITZULQIZBAZ-HUUCEWRRSA-N 401.533 1.096 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCC[C@H]2C)CC1 1539875698 ZLUOXTVWRNHMIF-VCBZYWHSSA-N 411.572 1.842 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1540779940 HSZADZWOIKAGRU-YWZLYKJASA-N 403.483 1.944 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCCC)CC1 1540871041 BYNQVHNTPIRIGL-QGZVFWFLSA-N 418.542 1.217 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1541764030 UGBLVDYKFPXTJG-HKUYNNGSSA-N 424.505 1.869 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C)n(C)c1=O 1546490062 JBHWPCKPYKLMGI-UHFFFAOYSA-N 405.462 1.431 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CS(C)(=O)=O)c1 1548184732 BVCCPLFYFWHPBF-KRWDZBQOSA-N 419.507 1.136 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1554382879 PCKXMXUMGCPRKE-PBHICJAKSA-N 423.521 1.550 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(C)CN(C)C1=O 1555094026 ZHGNVPJVBKCBRK-BTYIYWSLSA-N 412.494 1.940 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1)OC 1555252247 XLFGQLQLDGWZGD-ULQDDVLXSA-N 413.434 1.592 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC2CCCC2)CCO1 1555994283 VZJMCLPDTRVHHF-RDJZCZTQSA-N 423.539 1.258 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1556737742 MYCDNHSVUOBXQC-OLZOCXBDSA-N 409.936 1.515 30 10 HDEE CC(C)(CO)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1557216049 CITVIFCYCFKACH-SFHVURJKSA-N 416.503 1.386 30 10 HDEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(CCC#N)CC1)C2=O 1557981795 TZJOCQCFGHLOOV-UHFFFAOYSA-N 403.527 1.571 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H]3CCN(CC(F)F)C3)C2=O)cc1 1558089277 QDGOLYKECJHIIP-GDBMZVCRSA-N 419.432 1.466 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558465151 YMZHVWBZJJITOW-ZDUSSCGKSA-N 405.505 1.687 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc3c2OCCO3)c1 1558508188 PZTPQFKQVGVYLH-UHFFFAOYSA-N 400.456 1.342 30 10 HDEE NS(=O)(=O)c1cccc2c(C(=O)N3CCC4(CC3)CC(=O)C=CO4)nccc12 1558606395 UUIISEUZEJNYTQ-UHFFFAOYSA-N 401.444 1.360 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C[C@@H](O)CC3(C#N)CCOCC3)C2)C1 1560139802 FYCMMSWPEBTENR-LAUBAEHRSA-N 409.527 1.770 30 10 HDEE CS(=O)(=O)CC1CCC(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1564819204 FGRAEOLXXVCZJG-UHFFFAOYSA-N 418.563 1.989 30 10 HDEE C#CCN1CCCN(C(=O)CS(=O)(=O)Cc2cccc(Br)c2)CC1 1565814627 BMSWQTXGKWFPFP-UHFFFAOYSA-N 413.337 1.531 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H](OC)c1ccccc1F)c1cc[nH]n1 1566870768 JYUOSRLORKXFFD-KPZWWZAWSA-N 406.414 1.725 30 10 HDEE CSC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1568180987 BIOUKCQLPGKEHI-OWCLPIDISA-N 419.503 1.329 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc4c(c3)C(=O)NCCO4)C2=O)cc1 1568507468 DPJHZFYCYYKTLW-GOSISDBHSA-N 404.426 1.211 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1570632481 PQHPKHCYTGJLNR-DZGCQCFKSA-N 417.897 1.143 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C3)cc2C1=O 1586612906 JSJUPCLRTFLIAV-ABAIWWIYSA-N 423.391 1.998 30 10 HDEE CN(C)CC#CCNC(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 1587079239 YEXBBLBPLAZPNW-UHFFFAOYSA-N 421.544 1.633 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049299 DVHATYVWWQZKCM-PVPMGCCUSA-N 412.581 1.329 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1588059670 RXKMUNWBDDBILC-GOSISDBHSA-N 415.519 1.474 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1588619660 AQFIISMNYSNFES-HRAATJIYSA-N 400.479 1.580 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1593625117 LAYVFIPDVGCFPI-MOPGFXCFSA-N 410.522 1.661 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)CCOC)CC1 1594182096 SHHPBTWPJOHCHB-KDOFPFPSSA-N 415.560 1.078 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnccn1 1594455130 MFLZBXVEXCZGSG-AWEZNQCLSA-N 407.544 1.917 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1595460957 JJVWFQVYNWVCSB-XLIONFOSSA-N 402.499 1.527 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnc(Oc2ccccc2)nc1 1595535613 VPLRDBKPOYFUCC-UHFFFAOYSA-N 409.427 1.946 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2COCCO2)C1 1595674816 UUXPQVYBGUTESU-CVEARBPZSA-N 414.466 1.122 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)[C@H](C)C1 1596172576 UAIADAKDQCZIHI-MRXNPFEDSA-N 412.494 1.273 30 10 HDEE N#CC[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(F)(F)F 1596784245 WACOYVMKQLKHKW-VIFPVBQESA-N 400.176 1.671 30 10 HDEE CC(C)CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1607218356 SDJGSSHGUNHENU-OAHLLOKOSA-N 412.560 1.691 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1619776877 NEXWAQNWVFXYCP-VBKZILBWSA-N 421.448 1.663 30 10 HDEE Cc1ccc(C(=O)N(CCO)CCN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1623369223 JEGFVCNLBPPGRU-UHFFFAOYSA-N 418.343 1.061 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1csc(NC(=O)Cc2cccs2)n1 1624565564 SPFAXKMFXJHAAI-UHFFFAOYSA-N 406.489 1.844 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)o2)cc1 1626656186 SXYHGBHXLRPAMQ-YWZLYKJASA-N 411.439 1.741 30 10 HDEE Cc1cccc(CN2CCCC[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1627137211 UHYIBGIKXLNXPE-IRFCIJBXSA-N 401.532 1.746 30 10 HDEE Cc1nn(CC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)c(=O)o1 1628596363 BMRXVRNSPVSRHI-OAHLLOKOSA-N 420.267 1.316 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@H]1N1CCN(C)CC1 1630635254 FEUQWGYZXJWWTP-DNVCBOLYSA-N 422.526 1.221 30 10 HDEE C=CCCOCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1633406635 DWNMSSWBLKZWBI-MJGOQNOKSA-N 410.536 1.643 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1=O 1635209346 CCGJCYAAPSVLDC-AWEZNQCLSA-N 405.252 1.768 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1637758602 VVXDUFFOIISUSJ-INIZCTEOSA-N 409.508 1.186 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCOCC1 1639066182 TUMNZAMCCCMYKT-QGZVFWFLSA-N 423.535 1.596 30 10 HDEE N#C[C@@]12CN(C(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1639174869 CQMKOBIWUDMLHO-UGKGYDQZSA-N 423.494 1.480 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C#N)(C(=O)OC)CC2)s1 1640589175 UZKXHSJLYPOLRE-UHFFFAOYSA-N 411.505 1.060 30 10 HDEE CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1641098959 AXGDNYRGNNKZTB-HIFRSBDPSA-N 424.523 1.645 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(F)(c3ccccn3)CC2)c1 1641548649 URHWSGMSMNZJEX-UHFFFAOYSA-N 402.451 1.719 30 10 HDEE COC(=O)[C@@H]1CCCC[C@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642226229 CXBIYQGLISXXGN-PKOBYXMFSA-N 405.520 1.844 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC(C)(c3nnc(C4CCOCC4)o3)C2)c1 1647818971 GOSGLCRKUHIWAO-UHFFFAOYSA-N 423.473 1.867 30 10 HDEE Cc1ccc(C(=O)NC2CC(NCC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1648190077 ZKOODIPKIOTHMF-UHFFFAOYSA-N 404.414 1.210 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1 1650848717 GGGFNHUUFPZDHY-UHFFFAOYSA-N 418.450 1.238 30 10 HDEE N#CCC(=O)N1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])CC1 1651995637 BCFYREWUJOLCFT-UHFFFAOYSA-N 406.342 1.451 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1689831616 NZLRZWKDPSMGFV-XLIONFOSSA-N 407.584 1.825 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1689880087 QTYQVXOCCFIFOS-UHFFFAOYSA-N 420.560 1.721 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689986292 MTKHIFAKUBBKLG-JXFKEZNVSA-N 417.535 1.374 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689994517 ZVLILPGDCXXJTF-AEFFLSMTSA-N 417.535 1.173 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCN1CCOC[C@@H]1C 1690026512 CCGSARDHUCJMPG-FQEVSTJZSA-N 407.518 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1690054452 XYKOWQIAMVYAAN-UHFFFAOYSA-N 400.446 1.368 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690101024 LJIKSYFNQXWFRX-UHFFFAOYSA-N 402.520 1.834 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1690189933 GSTHAXBIGYFHKK-MAUKXSAKSA-N 409.556 1.576 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1690373137 AHQLMWSPIYQOCB-OSCRUYLVSA-N 412.494 1.855 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690506302 JAQFBTKFJRPHMG-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CC)C1 1690674402 ZMGORENLGNTTFU-QGZVFWFLSA-N 409.494 1.434 30 10 HDEE CCn1cc(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)cn1 1695790960 GXAZINOIUKXSEX-SFHVURJKSA-N 407.478 1.871 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1698490523 WPTGDHKWCKVGNY-QGZVFWFLSA-N 407.540 1.737 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705523727 WXTIQLPYMCIZGM-IIBYNOLFSA-N 410.478 1.723 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705569321 BUUYACCYMDHEFZ-GOSISDBHSA-N 401.536 1.582 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1705586285 COWHYSVSRJYFQN-UHFFFAOYSA-N 412.515 1.786 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1705647104 AGTOJELNDMUXDX-ZHRRBRCNSA-N 423.521 1.252 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCC2)CC1 1705648287 VELIORLLPDFYCB-UHFFFAOYSA-N 422.533 1.919 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OC)CC1 1705692149 AXVXIJOJRFBRPF-GFCCVEGCSA-N 400.277 1.927 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(N)=O)CC1 1705693305 DYLKTBKSXMCVRW-FUHWJXTLSA-N 418.542 1.489 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705815621 CSZNQEBEKSBWGM-UHFFFAOYSA-N 413.526 1.824 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](CC)C1 1705898234 FYORTYNNNGERCF-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705899408 RKHQZIXJMSHXIT-KRWDZBQOSA-N 423.521 1.596 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705907394 LKRGHLSJVZKLOZ-IBGZPJMESA-N 424.549 1.718 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCn1cccn1 1705909427 XGBIGTLURGNMOX-SJLPKXTDSA-N 415.542 1.832 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1 1706746475 BGAZQXVLNZKMIW-OWCLPIDISA-N 424.527 1.042 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1)[C@@H]1CCOC1 1711046164 RHRWNWLHMCNSPP-QGZVFWFLSA-N 410.478 1.480 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1711222686 ZLYCAJZYAAUIEZ-KRWDZBQOSA-N 416.507 1.147 30 10 HDEE COCCN(CC1CC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1712448742 DNQOYSXMOQBWKH-ISLYRVAYSA-N 416.526 1.965 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722322539 UFJAIGXLYQRQMM-FVJLSDCUSA-N 401.511 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N[C@H](C)CC 1722382767 NKXYVNGHPQLBET-GOSISDBHSA-N 417.517 1.894 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1722405959 ITAMXWPPLUQSRJ-UHFFFAOYSA-N 415.317 1.044 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1722409592 TZHFHSATRLTFIW-UHFFFAOYSA-N 410.503 1.778 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H](C(F)F)N1CCOCC1 1722411159 ZPHILDXFEUGBSL-GJZGRUSLSA-N 410.469 1.045 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1722411239 AVYZQEDXPHTJHU-HNNXBMFYSA-N 418.567 1.546 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)C)CC1 1722446483 XUAHPFUVFNRSDY-UHFFFAOYSA-N 412.494 1.628 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722470148 CSVVCQGAVRZLSI-VGOFRKELSA-N 408.506 1.827 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCOCCOC 1722475312 BATXRSFLRPYRNX-HXUWFJFHSA-N 417.535 1.925 30 10 HDEE C=C(C)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722553132 DRCJQVSVUDOYGK-NHCUHLMSSA-N 405.543 1.807 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)C1 1729596898 NPJFJCYGTXRVPK-OALUTQOASA-N 415.429 1.362 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(NC(N)=O)CCCCC1 1740284991 GLAFFANOZOZMOK-NRKLIOEPSA-N 404.511 1.197 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740565225 NZIOSGOYTCVZAT-UHFFFAOYSA-N 420.521 1.813 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCS(C)(=O)=O 1740582182 LFAILVQPDSTLCD-UHFFFAOYSA-N 424.548 1.243 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC=C 1740641190 GLZJWGYJSHFSKI-UHFFFAOYSA-N 400.479 1.682 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1740801028 MQSRPMAKUOFRDG-HZPDHXFCSA-N 410.950 1.716 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1740857120 DFWXGJJKQZQZLP-UHFFFAOYSA-N 424.571 1.388 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1740889164 ZNOQIUISTAXRDL-PXNSSMCTSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740961812 ZCGLKFOAAKZJGA-AWEZNQCLSA-N 402.465 1.852 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740964087 GRAJKUVDMDQDBM-APWZRJJASA-N 413.522 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccoc1 1740994857 VQEXBCJHVMBHPK-UHFFFAOYSA-N 407.496 1.231 30 10 HDEE CN1C[C@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1748045612 JFQSCBVFGOHWAS-IIBYNOLFSA-N 407.478 1.216 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCS2(=O)=O)CC1 1749304809 HQYQJUBIQRCXDX-UHFFFAOYSA-N 402.524 1.456 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1751278485 VSIJPUIUIKLGNO-FOIQADDNSA-N 412.498 1.455 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1760111129 WZBCNYGLHSWPOJ-OAHLLOKOSA-N 412.519 1.729 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760153220 KYXLDOGOIJSTBB-GOSISDBHSA-N 421.480 1.980 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)CN1CCOCC1 1760174084 DKXVKUGMCKYPCD-PXNSSMCTSA-N 411.506 1.828 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1760191058 ZZJUWGCHMUJVRE-INIZCTEOSA-N 405.549 1.671 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1760199533 YKPGJESVSOCEDJ-UHFFFAOYSA-N 421.501 1.593 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H]2CC=CCO2)CC1 1760264195 FLRRGRGJJHTJRV-IBGZPJMESA-N 423.517 1.966 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCOC1 1766715325 SAINLEFVPJYJQC-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)c1 1771530520 MSPHACCPSJHBNI-RTBURBONSA-N 424.505 1.714 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CC(=O)N(C)C1 1849004249 VPOGKWOPKYJOAW-OALUTQOASA-N 402.491 1.516 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)NCC#CCN3CCOCC3)cc2)CC1 1850078121 HUCPZNAZBSVIRZ-UHFFFAOYSA-N 419.547 1.173 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ccc(-n2cnc3ccccc3c2=O)cc1 1850334253 KYYWJNVLGSBPLE-UHFFFAOYSA-N 402.454 1.451 30 10 HDEE C=CCCCNC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850651407 RJPJGLKTLPJKCC-UHFFFAOYSA-N 411.418 1.874 30 10 HDEE C[C@H]1CC(=NC(=O)c2nccnc2N2CCOCC2)NN1c1ccc(Cl)cn1 1851717370 FGTGMPQNBJMKLB-LBPRGKRZSA-N 401.858 1.704 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cccnc3O[C@@H]3CCOC3)C2)CC1 1853680409 GOODCEYRTNFNFK-ZWKOTPCHSA-N 412.490 1.864 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3COCCO3)C2)CC1 1853814930 JRSCOKQAJVEAER-UYAOXDASSA-N 411.502 1.724 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2N1CCC#N 1853969126 LGVSJVQRYUFMEQ-OAHLLOKOSA-N 418.519 1.730 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1=O 1854261978 FIUUDBPYZOZAAU-SFHVURJKSA-N 424.892 1.953 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)[C@@H]1C 1854277558 LTAKOHYAHBPGER-JKSUJKDBSA-N 410.474 1.725 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)C1 1855745702 OOHIKYUQMNXFNR-LSDHHAIUSA-N 402.882 1.913 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1nnc([C@H]2CCOC2)o1 1855823272 PCPGUMIGKROHFA-INIZCTEOSA-N 409.446 1.708 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1856532174 SSJATEHPFNXBJZ-GOEBONIOSA-N 414.897 1.319 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(c4ccnc(F)c4)CC3)CC2=O)cc1 1856566870 UJIMVHGSSPBKFU-KRWDZBQOSA-N 407.449 1.903 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857055206 AVRQTCUCPMFCCZ-IEBWSBKVSA-N 401.482 1.852 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1857242223 AVAWHGWFQSADAN-MRXNPFEDSA-N 409.552 1.074 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3nccnc3c2)C1)[C@H]1CCN(C)C1=O 1857298660 FFCCVGYJVVUZFD-BEFAXECRSA-N 407.474 1.337 30 10 HDEE N#Cc1ccccc1NC1=C(c2cccnc2)C(=O)N(CCCN2CCOCC2)C1=O 1873271057 LZRFZCNBLQOJMI-UHFFFAOYSA-N 417.469 1.868 30 10 HDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCNC(C)=O)ncnc21 1875230826 PGBBZFMMVJEJBR-KBPBESRZSA-N 400.483 1.415 30 10 HDEE C=CC1(N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1884980330 VJAYUOIZOXVQLU-NSHDSACASA-N 401.451 1.574 30 10 HDEE Cc1cc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)nc(N2CCOCC2)n1 1889491731 BFEXZJVRDXEDDC-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 1891855768 PAWSWKUKYVZXSP-IBGZPJMESA-N 419.503 1.049 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(Br)cnc2NN)CCN1Cc1ccccc1 1914891711 LKJFMQQCFSODBT-HNNXBMFYSA-N 415.295 1.980 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@@H]2OCCN(Cc3ccccc3)[C@@H]2C1 1939113791 GLOOLRHKXGOTKD-CVEARBPZSA-N 401.326 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C(C)(C)O 1987674329 DGTCOBDODMNDNN-ROUUACIJSA-N 416.522 1.887 30 10 HDEE C=CCn1ncc(NC[C@H](O)CNC(=O)OC(C)(C)C)c(Br)c1=O 2011424755 OFKUSSULLFGUKY-JTQLQIEISA-N 403.277 1.489 30 10 HDEE CC(C)[C@@H](C#N)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818615 BUTCKGYGIJAYKJ-LOKFHWFJSA-N 401.533 1.721 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)C(F)(F)F 2180831913 ZZOGUKPLSYQQBW-IUCAKERBSA-N 404.229 1.902 30 10 HDEE CN(C)S(=O)(=O)C[C@@H](N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(F)(F)F 2195876869 BVMBRGHVXFZLRE-HZPDHXFCSA-N 404.458 1.519 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 2205587745 AXAJSDGHWVITCB-HUUCEWRRSA-N 412.537 1.891 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217484902 YECQROAZQANHFD-LSDHHAIUSA-N 419.331 1.845 30 10 HDEE O=S1(=O)NC(=NCCn2cnc(I)c2)c2ccccc21 2237129485 SMLJHRBUKXMEGV-UHFFFAOYSA-N 402.217 1.226 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2243417390 ONCDCLZFZSEVRX-UHFFFAOYSA-N 415.324 1.831 30 10 HDEE CON(CCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247826916 BKDKQSIGWUKSAB-UHFFFAOYSA-N 424.307 1.627 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247850981 VBXRCPIKXXEYNT-UHFFFAOYSA-N 421.303 1.909 30 10 HDEE CCn1cc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247910301 KOTCGWFYEUNUQW-CHWSQXEVSA-N 420.319 1.598 30 10 HDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247915531 DNWISIFOSNHHRI-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN1C(=O)OC(C)(C)C 2247916325 VTLRRFGBJHWYMC-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE Cc1c(C(=O)NCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247917028 AVXNZHYSLHSTEH-UHFFFAOYSA-N 422.335 1.672 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)COC1 2247926935 ZEMSVIDRNODOJE-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCc2nccs2)OC1(C)C 2267709136 WJRYCTSBQGKUIO-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE CN(Cc1csnn1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267723038 NHALKXVGMKACSH-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CO[C@H]1C[C@@H](CN)N(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281946089 OHWNFJNJDAVREF-QWRGUYRKSA-N 400.737 1.889 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@@H]1CO 2282322761 QJVAROCJUDTPOT-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE CC1(C)C[C@H](CO)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331818 SAJCQSGUJDJFKV-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE C[C@@H]1[C@H](N)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282491168 KQMSWJKLVMZUMG-BXUZGUMPSA-N 400.737 1.749 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCOCCN2)c1B1OC(C)(C)C(C)(C)O1 2282504488 PLORJZBCGGUWLG-UHFFFAOYSA-N 402.347 1.190 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@](C)=O 2282828147 JKMLWSNVWQZPDA-NDHGSNPTSA-N 421.777 1.685 30 10 HDEE CC1(C)[C@@H](CN)C[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882806 RACJWOKAXMRRNA-RISCZKNCSA-N 400.375 1.699 30 10 HDEE CCN([C@@H](C)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284409462 JMDHNRDWEBSRFW-JTQLQIEISA-N 403.331 1.839 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284411865 PHOXNSZCLBSNRJ-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE COc1ccc2c(C=Nn3c(S)nnc(CCC(=O)O)c3=O)c(C(=O)O)[nH]c2c1 2321663779 QWZUOOZUPHQRHH-UHFFFAOYSA-N 417.403 1.015 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1cccc(OC)c1OC 2331564940 LDVDHWKAMIGOBX-UHFFFAOYSA-N 407.496 1.942 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3C[C@@H](N)[C@H](O)C3)c2Cl)OC1(C)C 2359266054 ZXVBZGCJIUQXJQ-MVWJERBFSA-N 400.737 1.529 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@H](O)c1cn(C)nc1I 2363683931 GJSMELBLCIAZFQ-ZYHUDNBSSA-N 402.261 1.463 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2363924509 ZZINZUAPHLKPMM-CABCVRRESA-N 415.581 1.973 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365175516 HUQHFXMVEIPAOK-CVEARBPZSA-N 403.541 1.836 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365198835 JDASXSKYQGHBST-JHJVBQTASA-N 410.483 1.146 30 10 HDEE CC[C@@](C#CC(C)(C)S(C)(=O)=O)(CNC(=O)OC(C)(C)C)OCCC(=O)O 2365244807 VRVCUODDCMQOIP-GOSISDBHSA-N 405.513 1.978 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H](CC)CNC(=O)OC(C)(C)C 2367826147 VWNZEKQEPKSMOZ-BZUAXINKSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)NCCOC[C@@](C)(C(=O)O)N1CC[C@@H]2SC(=O)C=C2C1 2372929630 AWABNJAFCRQHDN-UGSOOPFHSA-N 400.497 1.645 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C 23636395 JMHJQXGDNRBOJH-VXGBXAGGSA-N 419.434 1.467 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2ncnc3sc(C)c(C)c23)CC1 53309406 LRBMNLMJSHYCDP-UHFFFAOYSA-N 419.576 1.847 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)Nc2nccs2)n1N)c1ccccc1O 59829735 KDIUNUSGYLKYMX-DJKKODMXSA-N 404.481 1.721 30 10 HDEE C=CCn1c(SCC(=O)Nc2nnc(SCC(N)=O)s2)nnc1C1CC1 59911929 ZVYTXSJHRDHWER-UHFFFAOYSA-N 411.538 1.501 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)O)c2)C1 238868572 MIQHOJLDALKZMQ-NSHDSACASA-N 406.395 1.418 30 10 HDEE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248122804 SSYMJVGWHWQIAN-ORGXJRBJSA-N 405.410 1.133 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c(F)cc(Br)cc2F)CC1 325376316 IMULJFLDJGFYHF-UHFFFAOYSA-N 402.239 1.787 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(F)c1 389243231 LILPLOUKDSFCLD-SNVBAGLBSA-N 410.286 1.399 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC1(c2ccc(F)cc2F)CCOCC1 409502971 QZSSLKBJNHJMCX-UHFFFAOYSA-N 403.451 1.667 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCOc3c(Br)cccc32)C1=O 410251804 KFHBKSHKXWRPIA-LBPRGKRZSA-N 422.235 1.366 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 429845047 WPECDLNVDWGJIA-UHFFFAOYSA-N 407.883 1.985 30 10 HDEE Cn1cc(C#N)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 433800712 GKIHNXRCGPYDSS-UHFFFAOYSA-N 408.867 1.823 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)Cc1noc(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 435973086 QAKLNKHUQFVWTK-IBGZPJMESA-N 419.459 1.395 30 10 HDEE C=CCNC(=O)Cc1noc(CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)n1 445343769 RJQIZPDPTARPDB-FQEVSTJZSA-N 413.434 1.199 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446922394 YARMYWNGEKSUCF-IINYFYTJSA-N 415.397 1.378 30 10 HDEE N#Cc1cccc(CCNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 466812718 LRSSJQSOTYZMFH-UHFFFAOYSA-N 410.499 1.887 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 469928881 NAHQWFXFEDUSEI-HXUWFJFHSA-N 419.547 1.576 30 10 HDEE COc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1NC(=O)c1ccccn1 471939829 GZDRERUJGFIWAP-LJQANCHMSA-N 416.459 1.646 30 10 HDEE COCCOc1cccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472101856 KXWVEUJXSUEOMT-UHFFFAOYSA-N 412.494 1.657 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)cnc21 482608842 RYGYYMUCXVADAO-UHFFFAOYSA-N 418.457 1.322 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C#N)c(Br)c2)CC1 487990080 FXLZLNUZGJXEEZ-UHFFFAOYSA-N 406.284 1.772 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(Cc3cccc(F)c3)n2)CC1 506971371 PGFJZJUCJSLTMF-UHFFFAOYSA-N 402.495 1.933 30 10 HDEE N#Cc1cncc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)c1 517060611 LYTATYJEJBNSRQ-UHFFFAOYSA-N 406.895 1.992 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n(C)n1 526030312 REVRRLPAOORELP-KRWDZBQOSA-N 411.510 1.898 30 10 HDEE N#Cc1cccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)c1 531396601 GWFZOQHKVBPEKC-UHFFFAOYSA-N 401.444 1.466 30 10 HDEE C[C@H](CC(=O)N1CCN(c2cccc(C#N)n2)CC1)S(=O)(=O)c1ccc(F)cc1 546875543 CBQQBEHPGXRWGQ-OAHLLOKOSA-N 416.478 1.993 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)OC(C)(C)C1 549331203 DOHUVQIZJHGMAA-GJZGRUSLSA-N 413.544 1.191 30 10 HDEE Cc1cc(C#N)cnc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 551760072 WVVUINVJLJWFNC-UHFFFAOYSA-N 402.432 1.241 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 558290810 CQXRWTYVQNJCAV-IBGZPJMESA-N 409.508 1.906 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2ccncc2OC)CC1 558988579 OSSQOTHMVXHABP-GOSISDBHSA-N 400.483 1.672 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 563256287 RXDXZFMCBJBIFL-MRXNPFEDSA-N 416.493 1.603 30 10 HDEE C=CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCN(CCOC)C(=O)C1 569970330 LNNVZBYEHDZLSZ-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE COc1ccc(-c2noc(=O)n2CCS(=O)(=O)c2ccc(C#N)cn2)cc1OC 579515704 DAJOVRPKJZXDFC-UHFFFAOYSA-N 416.415 1.261 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 603787187 SPNFVTWVWNWKGQ-UHFFFAOYSA-N 405.454 1.820 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccn(CCC#N)n2)cc1 609788375 UTOJNWZOGZLNGX-UHFFFAOYSA-N 405.480 1.845 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 610004773 DVNGYJCDEQKJAX-UHFFFAOYSA-N 416.425 1.186 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(Br)c(F)cc1C(=O)OC 619521010 WESVDAQNJOTYJT-UHFFFAOYSA-N 403.204 1.632 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](N4CCNC4=O)C3)n2C[C@H]2CCCO2)cc1 619853266 VRXZVDDAEXWKCC-RTBURBONSA-N 421.505 1.990 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1c1ccc2c(c1)OCO2 728273508 LCVATJKMISFNTR-OAHLLOKOSA-N 413.455 1.818 30 10 HDEE N#Cc1cccnc1NCCNC(=O)Nc1ccc(F)c(N2CCCS2(=O)=O)c1 731754881 KVTQZJBKNZOAOQ-UHFFFAOYSA-N 418.454 1.866 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NC3CCCC3)cc2)CCN1C1CC1 732707713 DGJFUJZGMGTKSK-LJQANCHMSA-N 409.490 1.496 30 10 HDEE C=C(COC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 734022682 HSVBBQPZZFHTSZ-OAHLLOKOSA-N 408.476 1.802 30 10 HDEE CN1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CCC1=O 738907017 TUETTWAELOINPR-FJGOLAJPSA-N 407.496 1.242 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)c1 742106252 QSJRYWPWOIOGFI-IBGZPJMESA-N 414.483 1.675 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 756883314 RYNDMBZCYAJGKK-ZFWWWQNUSA-N 408.480 1.084 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OC2CCOCC2)c2ccccc2)CC1 759009575 CKCUPHMFBJVIGK-QFIPXVFZSA-N 413.518 1.207 30 10 HDEE COCCN(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(=O)OC(C)(C)C 760779251 WSEQCRKWVJGOLK-UHFFFAOYSA-N 403.483 1.485 30 10 HDEE O=S1(=O)N/C(=N/Cc2nc(Cc3ccc4c(c3)OCCO4)no2)c2ccccc21 761629809 WRZMHXQKFPXCHI-UHFFFAOYSA-N 412.427 1.670 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C(=O)NC)C(C)C 772729982 QQVBFTVYBFFGOZ-HOCLYGCPSA-N 408.524 1.171 30 10 HDEE C#CCN(C(=O)NCCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CCS(=O)(=O)C1 774219719 MZILPPYKCSZLCO-HNNXBMFYSA-N 422.894 1.764 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NS(=O)(=O)c2cnc3n2CCC3)c1 783528724 OKKUQHTVOGZARG-CAPFRKAQSA-N 423.520 1.443 30 10 HDEE CCc1ccccc1N=C1S[C@H](CC(=O)NC)C(=O)N1CCC1CS(=O)(=O)C1 786683127 PKJSLFPAHOMUCM-MRXNPFEDSA-N 423.560 1.751 30 10 HDEE C#CCN(C(=O)c1scc(C)c1I)[C@@H]1CCS(=O)(=O)C1 786812454 IKOZBXAZPDEXJR-SNVBAGLBSA-N 423.297 1.924 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN2CCC1CC2 787522697 ATNJDBWJAQGYMC-UHFFFAOYSA-N 404.536 1.592 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2cccc(C(=O)OC)c2)n1 788695237 HPYRSIIXJZYHQH-UHFFFAOYSA-N 405.476 1.281 30 10 HDEE C[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2)n1cnc(C#N)n1 798740835 CTHHMBREESIBCG-RJMYSGLLSA-N 414.466 1.437 30 10 HDEE C#CCN(C(=O)Nc1ccc(O[C@@H]2CCN(C)C2=O)cc1C)[C@@H]1CCS(=O)(=O)C1 799240627 KYIJXBDMNCJYKS-CRAIPNDOSA-N 419.503 1.259 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(CS(C)(=O)=O)c2)cc1C#N 803702955 IDPUTVYRILZGOM-UHFFFAOYSA-N 415.471 1.044 30 10 HDEE Cc1c(NC(=O)[C@H](C)OC(=O)c2cc(C#N)ccn2)c(=O)n(-c2ccccc2)n1C 803849743 ROGZXHGLLDKRLJ-AWEZNQCLSA-N 405.414 1.935 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCCCSCC#N)[C@@H](C)O)cc1C 805326278 BXZKWZHUYDHFTR-ZBFHGGJFSA-N 400.522 1.521 30 10 HDEE CCOc1ccccc1-c1nnc(S)n1N=Cc1nccn1S(=O)(=O)N(C)C 814769741 HCEUGBGCHHBBLS-UHFFFAOYSA-N 421.508 1.366 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnn(C)c2)c1=O 837285589 PDVWINFUBKJKBN-UHFFFAOYSA-N 406.467 1.224 30 10 HDEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 918378505 SUHLRNDCCJZXRY-QGZVFWFLSA-N 414.531 1.404 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)N(CC)C[C@H](C)C#N)c2C)nn1 918932578 NKHJKDNEKUYZTH-CYBMUJFWSA-N 400.439 1.534 30 10 HDEE N#C[C@@]1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC12CCCC2 1125025510 GEEJZRQXOLRVSH-HXUWFJFHSA-N 417.535 1.124 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1133373081 YQKALUQLXUDJGD-CZUORRHYSA-N 402.451 1.881 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccccc1 1134659367 ZRRRJCWJVDHRHP-RMYSCLOFSA-N 416.503 1.948 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(N2CCCCC2)CCCCC1)c1cc[nH]n1 1135272451 QEARLIPREZKLSK-UHFFFAOYSA-N 419.526 1.999 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)NCCNc3ccc(C#N)cn3)CC2=O)cc1 1136174364 LRDVJWMVYJYLHR-INIZCTEOSA-N 406.446 1.493 30 10 HDEE Cn1cc(C(=O)NCC2CCN(CC#N)CC2)c(CN2C(=O)c3ccccc3C2=O)n1 1136779169 HLDMSDBRKZHCQE-UHFFFAOYSA-N 420.473 1.182 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1139865738 POTFJGZVPNHXQW-UHFFFAOYSA-N 418.563 1.814 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](OC)[C@H]1CCOC1 1146951991 WIIKPJQETCCHEM-XIRDDKMYSA-N 423.535 1.452 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCCC3)CC1 1157009654 QZUPUWJOQMDYDI-UHFFFAOYSA-N 423.492 1.397 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)c1 1160030876 YXMOWDSDBFMZBQ-UHFFFAOYSA-N 417.878 1.267 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)n1ncc(C#N)c1N 1168597645 FJRNSTFMMHFKBO-HQPKTYMTSA-N 405.505 1.689 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)cc1 1170280149 BECYKKGMRLAVIR-LSDHHAIUSA-N 415.437 1.675 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3nn[nH]c3C(=O)OCC)cc2C1=O 1177564943 ABNYNYZQNXJWDS-HNNXBMFYSA-N 423.429 1.741 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)c(F)c1 1180189295 LTYFFJOQGRDEAC-KDDVOAFDSA-N 415.400 1.820 30 10 HDEE CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1180990403 RAHYSPCRPIZVSE-SFHVURJKSA-N 405.414 1.168 30 10 HDEE N#Cc1cc2c(n(CC(=O)NC[C@@H]3CCCO3)c1=O)CCN(Cc1ccccc1)C2 1189779479 FQYFRIJTMTUJHD-FQEVSTJZSA-N 406.486 1.573 30 10 HDEE CC(=O)N1CCc2sc(C(=O)Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)cc2C1 1189921817 DNGNMSTXPKTXHJ-UHFFFAOYSA-N 412.471 1.374 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCC[C@@]4(CCOC4)O3)CC2)cc1 1192080052 FVPSZVWIZNFOEA-QUCCMNQESA-N 405.520 1.593 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2ccc(N3CCCCCC3)nc2)c(=O)nc1O 1220901480 AHGOYIOJKDIYBO-UHFFFAOYSA-N 411.466 1.095 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCCC 1286431571 PLKXYWWBBLLHQL-IBGZPJMESA-N 407.474 1.780 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286593874 VFSHBAMJICJXSQ-HZPDHXFCSA-N 402.499 1.515 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1288528999 FCEJNTNACUILLL-ZDUSSCGKSA-N 417.420 1.848 30 10 HDEE COc1ncc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1C#N 1289072591 YRNAPZDNSXVQLK-KFWWJZLASA-N 402.476 1.807 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nc(C)no3)C2)s1 1291890302 DVQQMEORTBESAP-ZDUSSCGKSA-N 410.521 1.853 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](CO)Cc3ccncc3Cl)CC2=O)cc1 1297288647 AWTGHEAVEZJMAB-RDJZCZTQSA-N 412.877 1.927 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3cc(O)nc(S)n3)CC2=O)cc1Cl 1300197994 NVKUSRGCMWDCPU-SNVBAGLBSA-N 403.851 1.665 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1300321538 MJZVFVARIRLCDI-DOTOQJQBSA-N 404.540 1.565 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCSC1 1300479063 HOXCLNQPLNDKJQ-QEEYODRMSA-N 421.567 1.986 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1300620366 BDHSJUFUQZVJFD-IBGZPJMESA-N 403.490 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)COCCO1 1300657161 UUWGWAFXXPJWPQ-HXUWFJFHSA-N 415.450 1.745 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1301450830 MLAXOPUYSAISAN-YJYMSZOUSA-N 404.471 1.532 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301501565 ZDLYQWTYASAREU-QVKFZJNVSA-N 415.469 1.321 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C(=O)NCCCC)CC[C@H]1C 1301569209 SUWSCQPPXQSMES-NVXWUHKLSA-N 411.572 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301586921 VTOYSZNOBSKNGG-HNNXBMFYSA-N 416.569 1.160 30 10 HDEE Cn1c(=O)sc2cc(S(=O)(=O)N3CC(Oc4ccc(C#N)cc4)C3)ccc21 1309386081 BLIPNVCPYLXBPJ-UHFFFAOYSA-N 401.469 1.924 30 10 HDEE Cn1cnc(CCNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c1 1312830813 FFVDSRDXZYFKQG-UHFFFAOYSA-N 410.457 1.673 30 10 HDEE CCN1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)C1 1313897731 XCXPEOKTOSZWAH-RDJZCZTQSA-N 401.540 1.704 30 10 HDEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1315810592 JWKCEWKHXUEQJV-IOASZLSFSA-N 402.496 1.003 30 10 HDEE C=CCO[C@H]1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1325227016 BSJUDGHOXUNOJS-AEFFLSMTSA-N 423.535 1.311 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCCNS(C)(=O)=O 1358943877 ZHZNENIOQOMRSL-UHFFFAOYSA-N 411.915 1.616 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(S(C)(=O)=O)CC1 1358946829 KHPKVARUCVXSBK-UHFFFAOYSA-N 412.475 1.241 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1359002980 UIWUDWLWSYOZSJ-QGZVFWFLSA-N 411.506 1.908 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1359037934 DOHFLLGSWKSWBU-RTBURBONSA-N 414.554 1.361 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCc2c(ccnc2O)C1 1359304180 PEBAAWPSVAIPNW-UHFFFAOYSA-N 422.493 1.105 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cccc(F)c2)CC1 1359327720 IZBDQOXGGGXTIH-UHFFFAOYSA-N 407.515 1.649 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1359474931 YYSXWEUSCPNKCC-IKGGRYGDSA-N 422.555 1.563 30 10 HDEE C=CCCn1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)nn1 1435572350 HOCPRAJGJRIKRL-UHFFFAOYSA-N 403.508 1.710 30 10 HDEE COCC#CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1446247345 RLFVLPJHZBCYDY-DLBZAZTESA-N 407.511 1.391 30 10 HDEE Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCc2ccnc(C#N)c2)c1 1448862875 HRCIMWDYMBXPCZ-UHFFFAOYSA-N 407.459 1.743 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1455950419 YUBIUPQIQDKDKB-IAGOWNOFSA-N 419.547 1.312 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1cc(F)ccc1F 1457183337 AKMWLYREQLLDOO-APPDUMDISA-N 409.414 1.353 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@]3(C)CCS(=O)(=O)C3)C2)C1 1463925902 BDIVKBCUYJVKQE-RUAQEJLXSA-N 411.524 1.467 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)nc1 1464183334 XDPFPQFGWRTJRI-UHFFFAOYSA-N 400.420 1.319 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CC(C)(C)CNC(=O)OC(C)(C)C)CC1 1464848564 QLFHDCUVUTYZFI-UHFFFAOYSA-N 408.543 1.211 30 10 HDEE CC(C)c1ccc([C@@H](NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)C(C)C)cc1 1473059198 LZNJZVYRKWQGBQ-FQEVSTJZSA-N 412.490 1.511 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1473857711 CCZVRDCWEHFXQD-UKRRQHHQSA-N 404.492 1.335 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cc1 1475363125 BGMPLIAJECAGJM-SFHVURJKSA-N 419.547 1.984 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1502370179 CNHDTTAKESURAL-UHFFFAOYSA-N 409.538 1.943 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCCN1CC 1503065503 BBVYHNKPOOOQJR-QGZVFWFLSA-N 411.510 1.834 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1503708635 MRICJVONGSDHJM-MAUKXSAKSA-N 412.494 1.441 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1507576904 XTUBPORZQLJNAF-DLBZAZTESA-N 422.599 1.612 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1N(C)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507634975 RPWIZCPZKZUXNJ-IAGOWNOFSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507672018 SVNCYCVJGZSXMC-KRWDZBQOSA-N 405.568 1.611 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(C)(C)COC)CC1 1507715637 FPBSKYJVVNCYLT-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCNC(=O)C(C)C)CC1 1507736112 MKASBGHBXGSTDB-QGZVFWFLSA-N 416.570 1.920 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC(C)(C)O)CC1 1507739280 DUNNISUWAQVXKW-UHFFFAOYSA-N 409.534 1.800 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1507753858 RZLANQHPIKMFKW-KRWDZBQOSA-N 413.551 1.317 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1507795497 DPNWZIBBMKLFKF-MSOLQXFVSA-N 423.583 1.999 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1508086758 OJNWCOULICCJKJ-QGZVFWFLSA-N 424.484 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CC(C)(OC)C1 1508143812 KNZXEEBZMYSVAO-UHFFFAOYSA-N 420.535 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C)[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1508149440 VBOHOMSVDKWJSI-TXPKVOOTSA-N 412.556 1.766 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1508322580 QVDCMTPFWZNAHY-DENIHFKCSA-N 424.505 1.727 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1509748063 SJYUCPKWXGTEGA-NRFANRHFSA-N 410.478 1.337 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2OCC[C@H]2C)CCOC1 1509816612 NFLIBYFMDJTUJW-VIPLHTEESA-N 405.499 1.472 30 10 HDEE N#CC1CCN(c2nnc(C3CCCC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1521114502 FILVRAARPOMQFR-UHFFFAOYSA-N 407.540 1.615 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(Br)ccc2-n2cnnn2)C1=O 1530489314 BPNUVOCCRZMGTB-CQSZACIVSA-N 405.256 1.284 30 10 HDEE Cc1c(C(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cnn1CCC#N 1530841808 JCOFBTFWOADSFE-FQEVSTJZSA-N 406.490 1.669 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1531946174 XMCWVOMMBDROIX-MRXNPFEDSA-N 410.492 1.254 30 10 HDEE CC1(C)CCc2onc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c2C1 1536888325 DFFBHSSMIUKDMR-UHFFFAOYSA-N 402.476 1.544 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc2c1OCCO2)[C@@H]1CCS(=O)(=O)C1 1537469561 YEHVFTWAAKNPFH-GFCCVEGCSA-N 414.277 1.483 30 10 HDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1537672954 WWQCEJMNOYVHRX-YUNKPMOVSA-N 414.466 1.360 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1538993548 MUKBTJNRTKCGQS-AWEZNQCLSA-N 419.507 1.461 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1539005849 VZRFOCXRQABTOD-SOUVJXGZSA-N 408.462 1.592 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1539427302 ABGAGMPWXJZQAG-PKOBYXMFSA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(N(C)C)nc2)CC1 1539446973 MKGWRJIYZHMQHJ-IBGZPJMESA-N 409.538 1.784 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1539524771 NWBFVZRFOMJXIY-NRFANRHFSA-N 413.547 1.968 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539621285 QBLPXBCBDVKKCK-KSZLIROESA-N 411.572 1.676 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540029324 POQHSNXEQLNFRZ-IBGZPJMESA-N 421.505 1.965 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1540074528 ZJMVZKQDNSMRSO-HNNXBMFYSA-N 406.508 1.868 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1540871195 GGHLTFOMAKQMNF-HNNXBMFYSA-N 402.543 1.664 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(CCC)C2)C1 1540882262 FKDGFDHCFYOJIH-ROUUACIJSA-N 404.559 1.930 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCOCCS(C)(=O)=O)C1 1541991933 PRWPNLMROHDSCW-CRAIPNDOSA-N 411.528 1.321 30 10 HDEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)s1 1543100288 MFTKPVOVCNNEEB-INIZCTEOSA-N 422.518 1.921 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3c(=O)oc4cc([N+](=O)[O-])ccc43)CC2)cc1 1544167404 PLYARPDCHAROSZ-UHFFFAOYSA-N 407.386 1.723 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](C(F)(F)F)O[C@H](C)C2)s1 1544629836 CJRNBASSMBWPKM-PWSUYJOCSA-N 412.455 1.933 30 10 HDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1552853715 GKGMEEIBUJFWAG-UHFFFAOYSA-N 400.552 1.973 30 10 HDEE Cc1cc(Br)c2c(c1)CN(C(=O)CCn1cc(C#N)c(O)nc1=O)CC2 1556277179 FNIBPHLFHSNHPH-UHFFFAOYSA-N 417.263 1.867 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)CN3CCCC3)C2)C1 1556855391 ZXOSYNLZTMAVPH-JWRWLIQVSA-N 406.527 1.346 30 10 HDEE CC(C)CCC[C@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1559448497 CPZGQGUAKWXKIK-HNNXBMFYSA-N 420.510 1.554 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3)ns2)CC1 1562426619 DIMMOSZARODREY-UHFFFAOYSA-N 405.505 1.427 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@H](C3CC3)C3(CO)CCOCC3)CC2)nc1 1563913635 ACEFDVMHTPBWEA-HXUWFJFHSA-N 413.522 1.789 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1568722608 LJRBJWVICUSNRL-UHFFFAOYSA-N 419.434 1.178 30 10 HDEE C#C[C@@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1585149101 SVFWXPJLEPMDPU-WVDZOPJMSA-N 412.552 1.679 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1586185251 VBCNMEHLAYQXAF-RBSFLKMASA-N 400.504 1.832 30 10 HDEE Cc1c(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)cnn1CCC#N 1587275774 WOZIXBMKRJDAEO-BEFAXECRSA-N 411.510 1.957 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)CC(C)(C)C1 1587425645 GNRLGEWFIVXDEZ-HOCLYGCPSA-N 407.536 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CCOC)c1 1587621494 VOFCYTXKBYSNFR-CQSZACIVSA-N 411.466 1.355 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N(C)CC 1588612405 DUINDAIAIIESTC-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN(C(C)=O)C1 1588660778 ZWQQQDLZGCSTFI-HXUWFJFHSA-N 410.522 1.608 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC1CC1 1589206813 AAKJTYBTZSVYIH-HNAYVOBHSA-N 405.524 1.046 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@H]1CC(=O)N(CCOC)C1 1589259277 KEYUFRYZHCJFHC-CSODHUTKSA-N 401.511 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCSC2)C1 1595673566 IAVMFVVKWFPPAI-RBSFLKMASA-N 415.585 1.423 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1595807637 HYMVMRRZURYSAH-YPMHNXCESA-N 407.264 1.978 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCCO1 1611803827 FIMYRZQNQIYQOK-VQIMIIECSA-N 407.540 1.879 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccc(C#N)o1 1614028975 VVRKGMANXLDHGA-AWEZNQCLSA-N 403.450 1.730 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1615959938 GEOXBGOUMAQZQT-UHFFFAOYSA-N 407.438 1.100 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1616124059 BMVYOUKNXUHBTA-LIRRHRJNSA-N 400.487 1.255 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 1619452448 WYKHAJIKHRIEAK-AYBZRNKSSA-N 401.463 1.652 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1620026290 XASYGGBRXVLLHH-ZACQAIPSSA-N 421.498 1.274 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nnc2c(=O)[nH]ccn12 1620547009 AIDMINZJCLQJEM-CYBMUJFWSA-N 411.491 1.882 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cc(C(=O)OCC)no2)cc1 1622886365 CIRPLZXSACQXHY-UHFFFAOYSA-N 422.463 1.980 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](C#N)c1ccc(Br)cc1 1625197077 LSZLJFOKZVRAFF-ZIAGYGMSSA-N 409.284 1.536 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1626466264 BDPCBEQLDVYQHQ-QGZVFWFLSA-N 402.426 1.833 30 10 HDEE C=CCCn1cc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)nn1 1630300711 LVXBHRZJPWDNGQ-INIZCTEOSA-N 419.507 1.242 30 10 HDEE COc1ccc([C@@H](CO)N(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1631748330 CGFQPAJBVHDAIR-IFXJQAMLSA-N 417.487 1.426 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2CCN(C3CCOCC3)CC2)cc1 1632601211 UWERLHVFCDYQMP-UHFFFAOYSA-N 419.547 1.219 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC(c4ccc(C#N)cn4)CC3)CC2=O)cn1 1633498549 INCKWBNJTWSOTL-SFHVURJKSA-N 422.489 1.555 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)C1 1634108661 NRWMXIXRXOIIDS-XHSDSOJGSA-N 419.526 1.692 30 10 HDEE C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS1(=O)=O 1638499169 FEAUJFMUGHJYJW-TZMCWYRMSA-N 409.895 1.600 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1 1638811084 SNRMMZABGSEANW-LLVKDONJSA-N 417.413 1.466 30 10 HDEE CC(C)(C)OC(=O)NCC1(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1639829693 PKSKZLCGTWHOJC-WUKNDPDISA-N 406.483 1.714 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)cc1 1640947933 ZCYKZHRSJVDHOI-LJQANCHMSA-N 410.492 1.382 30 10 HDEE CS(=O)(=O)C1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCCCC1 1641537435 GYWJPAZTFRCALQ-UHFFFAOYSA-N 412.533 1.337 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1641652456 HAAZNXNKEFTSNE-KSSFIOAISA-N 420.535 1.734 30 10 HDEE C#C[C@H](NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C(C)(C)C 1641835727 QPURFJBUVZDSRH-UGUYLWEFSA-N 412.552 1.821 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2nc(C)c(-c3ccccc3)o2)CC1 1643372264 DBJLFJPTOKPXSQ-UHFFFAOYSA-N 416.503 1.194 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 1644129571 SNCLEWKYFFZMEE-IGGHLAAKSA-N 406.577 1.442 30 10 HDEE CO[C@@H]1COCC[C@H]1N(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1644526536 OLXCMOYTZAEBOS-IAGOWNOFSA-N 423.535 1.548 30 10 HDEE CCC[C@@H](C)[C@@H](CO)NCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1646595457 IXEIXHFEDDNTPR-NVXWUHKLSA-N 415.494 1.842 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@H](NC(=O)C(F)(F)F)[C@H]2C(=O)OC(C)(C)C)C1=O 1647405138 QYLLOLLYUGAVOL-IHRRRGAJSA-N 419.444 1.627 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](Cc2nccs2)C1 1647818080 SSZPSZKXIVYYPF-DZGCQCFKSA-N 404.517 1.773 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 1652140327 AODGZRUGLTVRFN-XKKCUXDKSA-N 421.519 1.314 30 10 HDEE O=C(CN1CCC[C@@H]2OCCNC(=O)[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1654597456 KJMXURCUTGKFFH-FUHWJXTLSA-N 409.408 1.153 30 10 HDEE COC(=O)[C@]1(C)C[C@@H](OC)CN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1655293928 YTXCWZWBQHAMNK-GUXCAODWSA-N 420.535 1.109 30 10 HDEE O=C(CN1CC[C@H]2[C@H]1CCCN2CCO)NCC#Cc1cccc(C(F)(F)F)c1 1660523080 ZJOCBDFIXXSQOF-MOPGFXCFSA-N 409.452 1.704 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC(C)(C)CS(N)(=O)=O)cc1 1673820186 VOGCGNKBHDBQLR-UHFFFAOYSA-N 408.524 1.937 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCC(C)(C)c3ccccc32)CC1 1676218629 UYECAAVLJNWFJY-SFHVURJKSA-N 404.536 1.594 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC)[C@H]1CCS(=O)(=O)C1 1682819412 RMXPZBDHULQGQQ-HRCADAONSA-N 413.540 1.606 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1683479612 NATGYQLXIOUNTG-YJBOKZPZSA-N 409.508 1.302 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 1683683795 BCHWBGDEKBFMOD-UHFFFAOYSA-N 422.551 1.200 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1685655556 YMTNWLWSGSHJCN-ZWKOTPCHSA-N 422.489 1.924 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C1 1686056232 UPEQETJHDNYMKP-FGASOFEASA-N 412.434 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1689854782 HTTJZDSPGXNKHJ-FUHWJXTLSA-N 413.497 1.961 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689856542 SJUDSYGRROETDD-ICSRJNTNSA-N 423.565 1.665 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)Cc1ccccc1 1689964607 SNPBIDVLBXBSJZ-GOSISDBHSA-N 402.520 1.857 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCCSC 1689965711 BSRFUBOZCYQPEN-HNNXBMFYSA-N 415.585 1.214 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCN1CCN(C)C(C)(C)C1 1690099549 BELCNUQBOVVQHD-UHFFFAOYSA-N 411.554 1.452 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1690247105 ZXIABBVGSBOEHG-ZOBUZTSGSA-N 418.498 1.099 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1690319387 LECDKKVZXLDUTI-QGZVFWFLSA-N 410.478 1.633 30 10 HDEE C=C(C)COCCn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690320100 JNKZDUKEDYLWLK-IBGZPJMESA-N 412.556 1.480 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCS(C)(=O)=O)CC1 1690398580 AEKPSVPVBGQYBM-LJQANCHMSA-N 412.556 1.766 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1690672452 RZHMUJFXKJRCGW-UHFFFAOYSA-N 419.551 1.819 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(N)=O)c2)C1 1690699550 GPRRONGJTCMLAU-RBUKOAKNSA-N 411.506 1.905 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)(C)N1CCOCC1 1705478422 BCXRQUJLKGSLIF-GCJKJVERSA-N 419.570 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1705495245 MYCAQIMDQZPLPH-MAUKXSAKSA-N 411.462 1.107 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1705520279 OGSAJNYUHDVOQD-UHFFFAOYSA-N 414.554 1.945 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1705560583 IESBLLZBOIYMOB-YLJYHZDGSA-N 422.551 1.523 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1705563263 UEKLMKJIJIYNGY-GOSISDBHSA-N 413.503 1.480 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705564223 MRCACRWVRPVMHM-HOTGVXAUSA-N 405.524 1.193 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1705570886 SKEQPNGQYXDRJW-GOSISDBHSA-N 418.567 1.699 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@H]1CCCN1S(C)(=O)=O 1705624717 MNHXZQWKQNHLFM-GOSISDBHSA-N 417.535 1.455 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCN1C1CC1 1705628065 WYSSBGMJBWFABE-QZTJIDSGSA-N 400.527 1.332 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CCCC2)CC1 1705649449 YDOIKUBNUNDCGY-UHFFFAOYSA-N 407.522 1.402 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C)C(=O)[C@H]1C 1705654401 HDSVGLSPCZZGMT-CQSZACIVSA-N 414.491 1.887 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)OC)C1 1705696008 DJUBLLGOADHQEJ-TVFCKZIOSA-N 422.526 1.983 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)NCC)CC1 1705700805 YRWVNZRRQCWHQT-UYAOXDASSA-N 416.570 1.785 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC(C)CC2)CC1 1705762520 BEVXYXNEYBVIQC-KRWDZBQOSA-N 410.588 1.777 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O 1705872900 OYPHLBCTCNLEEF-UHFFFAOYSA-N 404.492 1.939 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1705889958 NYICKKWCNCKSSB-CVEARBPZSA-N 409.494 1.974 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(NC(=O)c2cc(C)oc2C)CC1 1705897793 UKOKUDPIVHIDHE-UHFFFAOYSA-N 400.483 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C 1705899098 HXTLQKNUXQWXDO-UHFFFAOYSA-N 402.474 1.737 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)C1 1705925265 NCYLXGVUUYLONW-CABCVRRESA-N 407.496 1.306 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CC1 1705930567 QFMJPGJIIGERQE-UHFFFAOYSA-N 404.496 1.372 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1705930724 URVDNGOJZOKXKN-HNNXBMFYSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)CC1 1705937262 OJOMEPWZNZMHOA-UHFFFAOYSA-N 423.583 1.132 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1706070874 OTCUPTRIEAKKOP-NEPJUHHUSA-N 411.919 1.581 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1706751903 WPCYUFMFSWKIHE-CVEARBPZSA-N 410.478 1.979 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(Br)c2)nnc1N1CCO[C@H](C#N)C1 1710983563 DCPWOTGZUKJBJA-CQSZACIVSA-N 419.283 1.525 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1722352315 NYITUOMAOZBWIJ-QGZVFWFLSA-N 410.503 1.484 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C)nn1C 1722391535 PCHHDMKRWLXLAP-QFIPXVFZSA-N 410.522 1.872 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1722528164 WIQHJABIWAEERN-UHFFFAOYSA-N 416.530 1.517 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCCC2=O)CC1 1722550215 GUEHFSFHQQMKJP-HNNXBMFYSA-N 406.918 1.963 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1722629631 UVUUDXARASYEAV-UHFFFAOYSA-N 421.505 1.513 30 10 HDEE C=CCn1c(N2CCN(c3ncccc3F)CC2)nnc1[C@@]1(OCC)CCOC1 1722690270 CXKJDRRECPNLAB-HXUWFJFHSA-N 402.474 1.977 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1722705873 JKKHYKQXZUYRJZ-GOSISDBHSA-N 412.538 1.828 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N(C)CC)C1 1722710769 OGRRVGZWXIXBRY-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1722864657 UXYANCHAZCJVBL-OLZOCXBDSA-N 423.543 1.818 30 10 HDEE CC(C)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1723418516 JOONMEXHUJKSQT-ICFOKQHNSA-N 403.487 1.035 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)cs1 1725343928 MEWGLYIBWSPOSV-GOSISDBHSA-N 407.519 1.654 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC(=O)N1 1727004146 PGRNURUDCJFXLL-NVXWUHKLSA-N 408.510 1.663 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1729338494 CLPPFSZCKSLJCT-WCRBZPEASA-N 424.549 1.992 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C2CC2)c1 1730022538 FQGBMYOZYCOKSN-GHTZIAJQSA-N 413.478 1.852 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1730482365 AWWUCUQVPUMXIS-INIZCTEOSA-N 402.430 1.690 30 10 HDEE CON(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1730970081 GTAVJAUJQMTIQC-VHEBQXMUSA-N 412.450 1.424 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCOCCCO)C[C@H]1c1ccccc1 1731192940 XJIXIVXPVZLBBR-AQNXPRMDSA-N 411.506 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1 1740545987 UZNBFTRCTMLUHV-AWEZNQCLSA-N 408.453 1.967 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740565237 OLWFUILAAOWEJN-ROUUACIJSA-N 402.543 1.377 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1740669351 WRKWAMFJFIBLSB-UHFFFAOYSA-N 406.490 1.957 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCO[C@H]1C(=C)C 1740678173 DJXVVEZFCYQYOK-MSOLQXFVSA-N 401.511 1.581 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(C(=O)N(C)C)CCCC1 1740687155 SZVJXXUPMUEXQK-UHFFFAOYSA-N 424.549 1.999 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCOC(C)(C)C2)n1 1740687362 ARIMRIGWILOEMJ-UHFFFAOYSA-N 415.542 1.180 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCCn2cnnn2)CC1 1740690006 FXTCFYRIHBZJSK-FQEVSTJZSA-N 419.537 1.652 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2C[C@H](F)C2)CC1 1740700850 KUJGFPYBTJBQQN-VJANTYMQSA-N 405.518 1.896 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)CC1 1740713027 CAFFZNPIOXBUNL-UHFFFAOYSA-N 415.519 1.655 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CN(C2CC2)C1=O 1740775923 IOCPTRLWVDIUEP-NRFANRHFSA-N 400.527 1.814 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1741001081 KRYMXYIWUVWNMR-GQIGUUNPSA-N 421.567 1.923 30 10 HDEE N#CCSCC(=O)N1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1743318428 NRJVFXUUZFOLOK-KLTZCBCKSA-N 403.548 1.896 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC1(N2CCOCC2)CC1 1748773869 JNXPNQNMHYCYFZ-UHFFFAOYSA-N 419.327 1.970 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCN1CCN(C(C)=O)CC1 1748799395 RSMBCTQHVINQAC-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1749193788 RLIAJONSAJVKET-HNNXBMFYSA-N 407.540 1.348 30 10 HDEE C=CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749440310 XFCCJANGYWDDJD-DYESRHJHSA-N 418.542 1.937 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1749702915 AIUSWHVRRXHIFD-QGZVFWFLSA-N 416.507 1.147 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC2([S@](C)=O)CC2)C1 1749715492 SQEMAJOQKUNDIM-UULLZXFKSA-N 401.536 1.956 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)CN2CCCC2)n1 1751853188 BFDRTMHABWICGX-LPHOPBHVSA-N 412.542 1.600 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC 1760221096 JKFWBCATAQFPFG-UHFFFAOYSA-N 424.530 1.414 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2ccc(OC)cc2)CC1 1760260155 MOFZWVUFGFOUMR-HXUWFJFHSA-N 422.533 1.626 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1760279954 GGEXLPFBDMXJDC-NWDGAFQWSA-N 403.430 1.363 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1760510203 KRMAEBQGEZAMJC-QWXGXRTQSA-N 408.549 1.740 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760524236 SQYXXTRZGGXDHY-UHFFFAOYSA-N 424.505 1.516 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](OCC)C1 1760548381 FJCFOONSKHJKHP-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE CCc1nnc(N(C)Cc2ncc(Cl)n2C)n1CCN/C(O)=C1/N=CC=CC1=O 1762877100 PTBRASXUJUETIX-MSUUIHNZSA-N 418.889 1.390 30 10 HDEE CCc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCC[C@@](C)(C#N)C2)no1 1764630490 FRWNVRJYHNDHPH-FQEVSTJZSA-N 412.498 1.719 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1767255752 ZCDUSMPPSFYZHA-GVDBMIGSSA-N 418.498 1.865 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@H]1CCOC1 1772792386 AKEJAFFVOPWYJE-SWLSCSKDSA-N 404.419 1.918 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1772842540 YCVQMXYRKFUDAH-VQIMIIECSA-N 423.521 1.710 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3cccnc3O[C@H]3CCOC3)CC2)CC1 1848973149 BGVYRARRFHOULQ-SFHVURJKSA-N 412.490 1.864 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CSc2nccc(=O)n2C1 1851781259 PEFQRWQZVHHNOH-GHMZBOCLSA-N 404.883 1.600 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1851847623 GXWHNOCYINZUHS-CYBMUJFWSA-N 414.528 1.560 30 10 HDEE N#Cc1ccc(CNC(=O)CCCCCN2CCN([C@H]3CCCNC3=O)CC2)cc1 1852040455 QUBVIZRAGDODJM-NRFANRHFSA-N 411.550 1.631 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)c1ncc(Cl)cc1Cl)[C@@H]1CCN(C)C1=O 1852209446 ZESJIPLFERRZPM-GFCCVEGCSA-N 406.291 1.407 30 10 HDEE COc1ccc(-c2cnc3c(C#N)cnn3c2NC(=O)[C@H]2CN3CCN2CC3)cc1 1852623446 CRBYWUQMSPZKDW-GOSISDBHSA-N 403.446 1.215 30 10 HDEE CS(=O)(=O)N(CC(=O)N1CCN(CCC#N)CC1)c1ccc(Cl)cc1Cl 1853078813 FKILKHKKZMHZDD-UHFFFAOYSA-N 419.334 1.817 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4coc(C)n4)CC3)CC2=O)CC1=O 1853639033 UGCVNKQGVYCJMN-ZWKOTPCHSA-N 414.506 1.605 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1 1853750068 FJEOEVALGHNGIA-FQEVSTJZSA-N 402.454 1.757 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cccnc2Cl)C1=O 1854081923 GPYRJBHNUQQIHJ-IAGOWNOFSA-N 418.925 1.904 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc3ccccn3n2)C1=O 1854263894 ZZBCWWNPBDEGHG-MOPGFXCFSA-N 409.490 1.574 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1854792160 LAAYNOWSTQUBFR-CQSZACIVSA-N 405.476 1.139 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O)n1cncn1 1854999867 WGGJTNUJRXHHQJ-QAPCUYQASA-N 407.478 1.503 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CC[C@@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1856007915 WMWWUPXBMIFSTA-CRAIPNDOSA-N 403.504 1.507 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CCC(n4nccn4)CC3)CC2=O)cc1 1856291900 BQWOXXQWIRJRGS-IBGZPJMESA-N 406.490 1.795 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2=O)CC1 1856508041 XGNBZHSGWKFLBJ-ROUUACIJSA-N 411.568 1.750 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(C)c(C#N)c2)C1)[C@H]1CCN(C)C1=O 1857074941 UHTRWATUBLKYNJ-PXNSSMCTSA-N 408.502 1.964 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](N(C)c4ncccn4)C3)C2=O)cc1C#N 1857148607 CWXKBRSEXXBDMC-MOPGFXCFSA-N 404.474 1.609 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C1=O 1857151604 WLTDDLRVIVPJPG-CZUORRHYSA-N 418.448 1.422 30 10 HDEE N#Cc1c(NC(=O)CN2CCN(c3nc(N)cc(O)n3)CC2)sc2c1CCCC2 1859428104 KGBVMLSUSCIPCM-UHFFFAOYSA-N 413.507 1.337 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)CN(C(C)C)S(=O)(=O)c1ccc(F)cc1 1869026639 UPIMVAKBNBMHEW-UHFFFAOYSA-N 411.499 1.542 30 10 HDEE C=CCn1cc(OCC(=O)OCCOC)c(=O)cc1CN1CCC(N(C)C)CC1 1870476073 CVAGGBXWVKKRBK-UHFFFAOYSA-N 407.511 1.129 30 10 HDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871619593 POFPHORMKBJEQN-UHFFFAOYSA-N 412.498 1.669 30 10 HDEE C=CCn1c(C(=O)N2CC(O)C2)cc2c(N(CC)CCc3ccncc3)ncnc21 1873561821 AFDUSRVXTZSABT-UHFFFAOYSA-N 406.490 1.898 30 10 HDEE O=C(N[C@H](C[S@](=O)CCC#CBr)C(=O)O)OCc1ccccc1 1883403819 ZNSQTAIMIRVHDC-JCQPUDPBSA-N 402.266 1.861 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(F)cc([N+](=O)[O-])c3)CC2)CC1 1890119642 AUNYMROOTZTZAZ-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)N(C)C1CN(c4nccnc4C#N)C1)(C3)C2 1891022361 UCFJDSOJTDPRIQ-MBWAJUJLSA-N 408.506 1.470 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccnc2O[C@H]2CCOC2)CC1 1891369484 MUQKLIWCMVEYLP-INIZCTEOSA-N 409.446 1.842 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCS(=O)(=O)CC2)[C@@H]1c1ccc(C#N)cc1 1892067097 YUECNPYNTURCMB-ZWKOTPCHSA-N 421.544 1.209 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1960393370 DNJJFKVVYRPRHJ-VGWMRTNUSA-N 410.515 1.848 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2CC=C(B3OC(C)(C)C(C)(C)O3)CC2)C1 2010403547 FTDBPMIIDHNMEX-UHFFFAOYSA-N 421.347 1.985 30 10 HDEE N#CC1(CS(=O)(=O)NC2CC(NC(=O)OCc3ccccc3)C2)CCOCC1 2054405271 ZCAMMIVZHFGRKM-UHFFFAOYSA-N 407.492 1.684 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)CC3(C#N)CCC3)C2)C1 2126356209 NGFPSTWRCXBHSC-UHFFFAOYSA-N 403.526 1.729 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)[C@H](C)C#N 2174789256 OMWGVJFDUNCMPQ-MGPQQGTHSA-N 403.501 1.397 30 10 HDEE C[C@@]1(C(=O)O)CC(F)(F)CN1C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F 2180576721 IMUZVQQJCWOBEI-IUCAKERBSA-N 400.222 1.697 30 10 HDEE C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625770 CJACUNVVXWGJJM-LLVKDONJSA-N 423.387 1.072 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195307841 FAGSLIBZNSJVAC-GFCCVEGCSA-N 403.545 1.596 30 10 HDEE C=CC1(NS(=O)(=O)c2ccc(C(=O)O)cc2F)CN(C(=O)OC(C)(C)C)C1 2196121911 HWJDOIYARJPXMA-UHFFFAOYSA-N 400.428 1.978 30 10 HDEE Cc1c(NS(=O)(=O)N2CC(O)C2)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2202941452 IGBAIUOCYXEPSS-UHFFFAOYSA-N 402.709 1.281 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2205592657 YAQRIYPKIXEPSU-UONOGXRCSA-N 419.569 1.577 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](N2CCN(C(=O)C#CBr)CC2)C1 2213739181 LCTDVOJOUTYPIE-KBPBESRZSA-N 400.317 1.932 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243431160 DFSFBGVPZOENOB-UHFFFAOYSA-N 409.292 1.890 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2247831514 ZYMMRTUBFHKPEN-OLZOCXBDSA-N 423.319 1.307 30 10 HDEE Cn1cc(C(=O)NCCCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247914343 JQWDDORHFRFKEL-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE C=CC1(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258162631 SECLCCIRODVZDY-MRXNPFEDSA-N 410.492 1.730 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2258174857 GPOVKFFFZMNQQV-QGZVFWFLSA-N 402.428 1.789 30 10 HDEE C=CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2258176943 YJOPZEYLRVYBNC-INIZCTEOSA-N 410.492 1.873 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(F)c1 2270511094 WUDQHOGAAREFHP-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)N[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312528 XPUCZDGAHUPRPQ-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE CCN1CCC[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331277 LSCFDJSMSPRGDL-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1 2282417117 FVIKRSICOAEDJQ-QWHCGFSZSA-N 400.375 1.559 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@@H]3CO)ccc2Cl)OC1(C)C 2282495798 RDYIKCVSINUJKG-VXGBXAGGSA-N 401.721 1.546 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CCOC3)ccc2Cl)OC1(C)C 2282498900 KZRFVQBCOILPSZ-LBPRGKRZSA-N 401.721 1.954 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]2(C)CCCS2)n1 2282509842 QCSUIZXUWPYHHR-INIZCTEOSA-N 401.363 1.283 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(C)(CO)C1 2282825047 GSMFBPDWULXEHF-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]4CNC[C@@H]43)cc2Cl)OC1(C)C 2282827724 CGQYYDDRQLURRU-JQWIXIFHSA-N 418.777 1.683 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@](F)(CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282828404 NTJAJSOGEWHHBI-AITUWYQGSA-N 404.338 1.463 30 10 HDEE C[C@H]1COCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282833357 HGHBJVYDVQSTFH-GFCCVEGCSA-N 402.347 1.240 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282841771 YBBFEFSOHXGQNV-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE CN(C)C1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCC1 2282848872 SYEFFDDUZLGSBA-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)[C@@H](O)C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849794 GZOPRNHVHQJDDT-AAEUAGOBSA-N 401.359 1.733 30 10 HDEE CS[C@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC1 2282853862 KHGRUUUJXNABEW-CYBMUJFWSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(O)CCSC2)OC1(C)C 2282869344 BHKUEEZONZTHJR-MRXNPFEDSA-N 419.399 1.335 30 10 HDEE C[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282870799 XSPZTEYLXDOEGB-VXGBXAGGSA-N 403.737 1.934 30 10 HDEE C[C@H](O)[C@H]1CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876131 YOVSNJQODDTPAT-SMDDNHRTSA-N 401.721 1.783 30 10 HDEE CCCSC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2284378024 KJDHSYQKOJPSLI-LLVKDONJSA-N 400.331 1.769 30 10 HDEE CC[C@H]1C[C@]1(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284405999 SIAZHXSBHXCXOI-MGPLVRAMSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csnc2COC2CCN(S(C)(=O)=O)CC2)OC1(C)C 2285645009 MBWKMMUKMNMANT-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccco1 2296144685 AWMHTYCXLRUADA-MRXNPFEDSA-N 402.359 1.618 30 10 HDEE CC#CCN(CC(=O)NCc1c(Br)nnn1C)C(=O)OC(C)(C)C 2300614231 ZXALGDGJQOHXKP-UHFFFAOYSA-N 400.277 1.454 30 10 HDEE CN[C@@H](C#Cc1cnn(CCOC)c1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2366094207 KICKSZZZKYXWSZ-UNMCSNQZSA-N 412.490 1.243 30 10 HDEE COC(=O)C1=C(C)N/C(=C\c2ccc(CNC(=O)C(=O)Nc3ccc(C)cc3)o2)C1=O 13282224 VSQKHZOPAVYLSG-YVLHZVERSA-N 423.425 1.803 30 10 HDEE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 97654868 NBOIQCGHZGTMFI-VJIACCKLSA-N 407.492 1.483 30 10 HDEE CC(C)CN1C(=O)c2ccc(C(=O)N3CCC(CNC(=O)CC#N)CC3)cc2C1=O 219527642 AJRLXYQAKLUQTN-UHFFFAOYSA-N 410.474 1.821 30 10 HDEE Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 238873402 NLJQHLZFFSZXEG-OAHLLOKOSA-N 404.496 1.975 30 10 HDEE O=C(NO)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 247425783 SKMRQNJIIPQIOG-CQSZACIVSA-N 404.366 1.980 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 409925023 VQMINXQUMDWTPW-FQEVSTJZSA-N 419.485 1.915 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 429454223 NRVFQSVCEDGHPU-IIAWOOMASA-N 424.461 1.647 30 10 HDEE C=CCn1c(C)nnc1S(=O)(=O)CC(=O)N(C)Cc1ccc(OC)c(OC)c1 438742765 FIKSROIKDAFHRL-UHFFFAOYSA-N 408.480 1.222 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cccc(OCCCC#N)c2)CC1 441634979 OCBMDCQZYNSJIH-UHFFFAOYSA-N 416.478 1.403 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(c2nc(C)ns2)CC1 460791502 KMFWQOWJQMHYPJ-HNNXBMFYSA-N 405.528 1.819 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)o1 471192473 ZKASDOOVMWDROD-INIZCTEOSA-N 413.499 1.026 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCC(=O)N(C)C)CC1 473200784 LCQLMRGBNZSRHE-QGZVFWFLSA-N 417.579 1.973 30 10 HDEE N#C[C@@H](NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccc(F)cc1 479320705 VPIVWRPTZWXPFU-UYAOXDASSA-N 406.417 1.982 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOc1ccc(F)cc1F 481751680 RPXLWNXWXQZFFF-GFCCVEGCSA-N 409.414 1.698 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)[C@@H](Oc3ccccc3C#N)C(C)C)CC2)nn1 495029693 WIGXEHGQADDKSZ-FQEVSTJZSA-N 423.473 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2cc(Br)cs2)CC1 499721671 WXXXGFLSNVDMRV-UHFFFAOYSA-N 400.342 1.890 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1 500967772 TUUQBKHYAYVZTI-QGZVFWFLSA-N 409.483 1.631 30 10 HDEE COc1c(F)cc(CC(=O)N(CCC#N)Cc2ccccn2)cc1S(N)(=O)=O 505200818 FZNMJNMBJJBDCB-UHFFFAOYSA-N 406.439 1.362 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](C#N)C2CC2)c1 505972158 VBMQNQBQQKBDOL-GOSISDBHSA-N 420.535 1.586 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCc3noc(CC)n3)cc2)CC1 524519319 KDDXHYIOMCNFQV-UHFFFAOYSA-N 413.478 1.271 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnn3)cc2)cc1S(=O)(=O)NCC#N 535203028 XSLOANINSZFOQB-HNNXBMFYSA-N 424.486 1.869 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N(C)c3ccccc3)n(C)c2=O)c1 538497009 UWNMBAVDQFXIAZ-UHFFFAOYSA-N 420.494 1.325 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](C4CCCCC4)C3)CC2)o1 543590866 XLBNKRAGKOONEE-IBGZPJMESA-N 401.511 1.784 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2ccc(C(=O)OC)cc2Br)CC1 551559485 NXISTROJVPOBKX-UHFFFAOYSA-N 410.312 1.656 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COCC)C1 559008147 ZFAHFPXJGLIEAX-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 566787772 IORDWBOAJYGMRR-ZIAGYGMSSA-N 418.469 1.486 30 10 HDEE C[C@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 573245582 LFUJUVSDCFVPJT-NTDXCCSUSA-N 411.458 1.084 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NCCCC)cc21 586315685 YUGUNDCTLPIFRJ-SUMNFNSASA-N 406.504 1.834 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)CC2)c1C#N 589632809 YPDBOKGRXNJXPO-UHFFFAOYSA-N 420.520 1.002 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)s1 603797778 GTZWYWNPPOFVTM-AWEZNQCLSA-N 415.540 1.240 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCCN2CCCS2(=O)=O)c(C(F)(F)F)c1 608781497 AVYOEWDOVQVTDY-UHFFFAOYSA-N 411.427 1.281 30 10 HDEE COC(=O)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 609878374 TVRRGIIPMRXZFI-ZBFHGGJFSA-N 400.435 1.467 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(C)nn1[C@@H]1CCN(Cc2ccccc2)C1 679531096 QXXFCJDMXZVCOR-LJQANCHMSA-N 411.506 1.896 30 10 HDEE OC[C@@H]1CC(F)(F)CN1c1cc(C(F)(F)F)nc(N2CC(F)(F)C[C@H]2CO)n1 681997589 XFEPYQIYAOVRAP-IUCAKERBSA-N 418.313 1.908 30 10 HDEE CCc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCOC)cc1 730138480 MCINEQZYGVNQIR-QGZVFWFLSA-N 406.552 1.895 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCC2)C1=O 730463406 WYCSNUBPSBXQTI-DVCONVQISA-N 403.552 1.545 30 10 HDEE CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465192 DLNZZAQKBIUERT-HNENSFHCSA-N 403.458 1.425 30 10 HDEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732700941 VJXIEEFAKBJHHM-KRWDZBQOSA-N 403.508 1.674 30 10 HDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 733615390 WQFIJWLRNKKGKZ-UHFFFAOYSA-N 406.508 1.453 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(c2c[nH]c3ncccc23)CC1 734276634 FZFUFNSQRBRZEM-CZIZESTLSA-N 408.462 1.978 30 10 HDEE N#CCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CCCC1 738328263 CRQJEQWZMSWGCG-YVLHZVERSA-N 416.547 1.899 30 10 HDEE C#CCOc1ccc(C(=O)OCC(=O)N(CC(C)C)[C@@H]2CCS(=O)(=O)C2)cc1 745214545 CTNBEXNWCZITMU-QGZVFWFLSA-N 407.488 1.527 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@@]34CCO[C@H](C)C4)CC2)o1 759673414 SNOIQUQEENTTRQ-AFBRZQFHSA-N 402.451 1.252 30 10 HDEE CCOC(=O)N[C@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)CC(C)C 760675353 PQKAJVDRVJNWED-KRWDZBQOSA-N 402.499 1.946 30 10 HDEE C#CCN(C(=O)c1cc(I)ccc1F)[C@@H]1CCS(=O)(=O)C1 762053146 NPXHJZOFGDJNLK-LLVKDONJSA-N 421.231 1.693 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)OCC(=O)N1CCOC[C@@H]1C1CC1 766075511 BNYDWDODOIPTCF-QGZVFWFLSA-N 402.447 1.906 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767872007 LJBYXJMMRLXRKZ-OLZOCXBDSA-N 403.529 1.664 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccccc1OC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774145809 JJWYVAPKVRBECI-IEBWSBKVSA-N 419.547 1.664 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)nc12 782304418 ASLXDQDHZMKXSG-INIZCTEOSA-N 407.386 1.781 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4N3c3ncccn3)nc12 784727493 GUTASOKUGJRETF-COXVUDFISA-N 419.445 1.977 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360373 FREKHUOWVGOKJB-UHFFFAOYSA-N 416.506 1.847 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)N2CCCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 791721317 XLFLDOVQBPORJK-BTYIYWSLSA-N 423.510 1.742 30 10 HDEE C#C[C@@H](CC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 792745506 FOWGXMJRDGKWJH-FUHWJXTLSA-N 411.531 1.969 30 10 HDEE CC(=O)c1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c(Cl)cc1Cl 798864768 MTQIMHRDDXAFLK-ZETCQYMHSA-N 416.246 1.725 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C 800129540 ZWBJZPAZWHYYFQ-GJZGRUSLSA-N 404.533 1.328 30 10 HDEE CCc1ncnc(CC)c1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 815434751 QLJAFSFFNBCSHB-UHFFFAOYSA-N 412.450 1.275 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1-c1ccncc1 815512036 FUHIFPAGPWLOET-VXPUYCOJSA-N 419.441 1.638 30 10 HDEE CC(C)[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 914532435 IANDVAJMLQFVLO-IBGZPJMESA-N 415.515 1.771 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(Oc3cccc(F)c3C#N)cc2)C1 1131763277 KJUSHYIOKRBLRQ-UHFFFAOYSA-N 418.450 1.710 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 1136281741 NTXNFRRNCZOJDO-HGNXGAGXSA-N 420.495 1.114 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1137638643 OGKWQEFZRASZSM-PYUISTEWSA-N 422.412 1.932 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOC(=O)C1CC1 1140556815 MWPCLQNKVUXFQV-UHFFFAOYSA-N 407.492 1.355 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1141971914 VHAAHTDPYWXRJN-CABCVRRESA-N 413.293 1.278 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CS1(=O)=O 1146272489 ZUWYJHSQHOOTKG-PWSUYJOCSA-N 401.282 1.781 30 10 HDEE O=C(CCNS(=O)(=O)c1c(Cl)cccc1Cl)N[C@@H]1CCCN(O)C1=O 1159642535 YFPBSWRUWDJNNI-LLVKDONJSA-N 410.279 1.158 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1)C(=O)OC 1161364938 KYWCDMMTAIMVEG-MPGHIAIKSA-N 406.504 1.648 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)CC(=O)OC(C)(C)C 1171792613 WGUBZPMFTBQGKD-UHFFFAOYSA-N 405.520 1.941 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1194790476 VARVCDPXSYSFGL-AWEZNQCLSA-N 400.522 1.881 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 1213876205 GEQMEGKDDJBZDG-UHFFFAOYSA-N 416.544 1.569 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C(=O)N1c1cnn(C)c1 1222589584 CVKRVJPTNSEVHL-HNAYVOBHSA-N 407.478 1.317 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2F)C2CCCC2)CC1 1223365725 PMCDLPYUNHQJPQ-LJQANCHMSA-N 422.526 1.852 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1248682614 YZQBVDKLULOTSW-GOSISDBHSA-N 420.554 1.896 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)nn1 1264347867 IQLMOEISLIHCKB-UHFFFAOYSA-N 417.491 1.204 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1286277696 GLCNCUCTQSXERB-LSDHHAIUSA-N 424.571 1.185 30 10 HDEE C#CCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1286359359 CNQSGYJHRNRTOP-HXUWFJFHSA-N 424.567 1.747 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC(F)F)c1 1286372762 XWIZEBQTNVXWKA-ZDUSSCGKSA-N 405.405 1.957 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1286450131 DCBGFIWXBNGMPZ-AWEZNQCLSA-N 421.571 1.254 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1COCCO1 1286458960 FOIUTABLHXZXQY-LJQANCHMSA-N 416.478 1.464 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1286509174 WCHADFZIDRDFGK-SJORKVTESA-N 403.552 1.772 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC)C(=O)C1 1286557351 UQPOLVPVZPNMJH-AOIWGVFYSA-N 403.527 1.822 30 10 HDEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286713559 CADWGLKREGQRPU-RZQQEMMASA-N 422.482 1.637 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(OCCO)CC3)C2)C1 1295126707 RESYEURIWBRZJQ-TZQQIIETSA-N 407.511 1.773 30 10 HDEE C#CCN(C)CCCNC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1 1298677581 YFOHGWDNTYKLAG-UHFFFAOYSA-N 404.515 1.535 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300731844 IFTBADOKEDQSOH-GOEBONIOSA-N 418.567 1.278 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1300768669 VHVRUYVOZMELDO-SJORKVTESA-N 404.584 1.686 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300824824 YAFHBZLDHKAMLF-INIZCTEOSA-N 411.304 1.041 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)c1 1300894940 LUVZSUAHYSSNLD-GOSISDBHSA-N 412.446 1.980 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1301002481 ZZKXNAKZCUDLOA-NRFANRHFSA-N 421.542 1.485 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnnn1 1301349265 MISWQHMWNJQBMW-QGZVFWFLSA-N 407.482 1.499 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1301503326 ZBNMDTHKEQZMNI-ZDUSSCGKSA-N 404.902 1.525 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CSCCS1 1301806475 ICYUUECCHNCWPA-HNNXBMFYSA-N 407.569 1.894 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)NCc1nc(C#N)cs1 1304187155 KJOAKTZCLSOKKL-UHFFFAOYSA-N 421.548 1.483 30 10 HDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCS(=O)(=O)N(C)C 1304835443 GEVFPICHZLUNIO-IBGZPJMESA-N 416.551 1.809 30 10 HDEE CC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1306446475 PUNYZGYLBDTXQG-RAJOGRCSSA-N 400.483 1.372 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C2)C1 1313291361 JRMORGFDWATHBX-FGTMMUONSA-N 408.543 1.655 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOC)CCOC1 1314136575 XHHGGLAPIVURQZ-YLJYHZDGSA-N 404.515 1.143 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1316484289 LCSNGOFEWUSLBL-RHSMWYFYSA-N 401.492 1.477 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCC 1358976758 PFZSCGAJPZZLRM-UHFFFAOYSA-N 404.474 1.784 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(C)(=O)=O 1359026371 VVGRWOKVJJGTDS-UHFFFAOYSA-N 415.519 1.481 30 10 HDEE C=CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359221233 VIBTXGXELIFQMH-LJQANCHMSA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1359301343 XAEXMPNEQKNVHG-UHFFFAOYSA-N 403.531 1.163 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H]2C[C@H]1CO2 1359301533 AXIIMBQPRLDCLG-KBPBESRZSA-N 403.433 1.817 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOCC2(C)C)C1 1359321864 MWISNQQFWUSQQX-MSOLQXFVSA-N 405.543 1.674 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1443052308 KYKXNOYPTBRMMC-INIZCTEOSA-N 405.499 1.445 30 10 HDEE C=CCOc1ccc(CNC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)cc1 1449225000 NKLWXBUAJUTFPZ-UHFFFAOYSA-N 423.473 1.602 30 10 HDEE Cc1sc(NC(=O)CN2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c(C#N)c1C 1460603707 GUOXWWUSSJKKHU-OAHLLOKOSA-N 400.508 1.803 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1c1cccnc1 1463869293 BXLOGWCSFOQRLM-RTWAWAEBSA-N 423.448 1.339 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)CCCC(C)(C)C2)cc1 1470234864 ZYAMWWILLNAWCT-FQEVSTJZSA-N 406.504 1.840 30 10 HDEE C=C(C)CONC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1470679715 KHZQVHRSBGMBTH-CYBMUJFWSA-N 415.231 1.981 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)CC1 1475292478 CGZOZUJCENMEBM-UHFFFAOYSA-N 406.460 1.359 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494282802 FZYZYSWNELCRKO-RMYFCYLKSA-N 411.466 1.035 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1)[C@@H]1CCOC1 1503412653 NUJWAQVKYDRFEJ-GOSISDBHSA-N 415.519 1.867 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCCOC(C)C 1505082595 RJVDBKUXVFZBDF-KSZLIROESA-N 407.515 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1507545940 NIEQJZWCZCKHEC-OAHLLOKOSA-N 415.469 1.736 30 10 HDEE C#CCCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1[C@]1(OCC)CCOC1 1507600245 XJMMGWKHYFPDHW-QFIPXVFZSA-N 422.489 1.879 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1507631360 CVTZVJSLWPZBJR-QZTJIDSGSA-N 420.535 1.493 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCN(CC)CC1 1507670357 ISIYOBINLSSPLT-NRFANRHFSA-N 419.577 1.753 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507691035 ZMIJFRFLTVKPKT-IAGOWNOFSA-N 410.526 1.742 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCn2cc(Cl)cn2)CC1 1507719699 PQFVSLZICIDBFG-MRXNPFEDSA-N 421.933 1.307 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1507751216 FIDICJXRAHIAJX-CYBMUJFWSA-N 417.491 1.372 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1507954365 MASRIJSCTMWMNE-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1507964570 DDUXNUBFXKNMNO-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1507980518 BJCHIGQNXKOKGW-KRWDZBQOSA-N 401.515 1.257 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC 1512939104 PWKSVZBUBNUVGW-ZDUSSCGKSA-N 418.523 1.761 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1518963459 PGGOSGRYPLNNNL-QFIPXVFZSA-N 424.505 1.415 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(F)(F)c2ncccc2Br)CC1 1524477486 QJRGYHDILSLKDQ-UHFFFAOYSA-N 400.223 1.924 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1 1527172268 CUJXHGLWTOMXSM-UHFFFAOYSA-N 405.454 1.533 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CC[C@@](C)(C#N)C2)CC1 1529650984 JXUFYSQAYOLUIA-FQEVSTJZSA-N 419.503 1.636 30 10 HDEE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1536419733 XONDJXJMEWHVTA-HZPDHXFCSA-N 411.462 1.136 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1539416627 QPLARCDQGYIVEK-CQSZACIVSA-N 409.537 1.079 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccn(CC)c1=O 1539420542 HBZHXGHGYVZVIM-UHFFFAOYSA-N 423.521 1.456 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CC)C1CC1 1540095738 ULGHBKKRQAQVLN-WBVHZDCISA-N 410.588 1.918 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1540862257 WQYIDRBYQPVYRU-HOTGVXAUSA-N 419.574 1.418 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1540903484 FIUZPKLWFHMHQN-CVEARBPZSA-N 409.556 1.325 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543462506 MSXJGTGPABBLBC-GOSISDBHSA-N 403.504 1.504 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cnn1-c1ccccn1 1544571172 ALCJDSXPTFQRQK-OAHLLOKOSA-N 402.462 1.842 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1544679661 ATDSDZHWALGNHV-KLHDSHLOSA-N 411.424 1.140 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)[C@H]1CCOC1 1552913358 QOLCAZAQSXXJRT-HOTGVXAUSA-N 409.450 1.030 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)OC 1555641338 XXHKDSVKCYFFAU-ZIAGYGMSSA-N 416.482 1.572 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1 1555815568 NOGDHKZAAJGIIC-UHFFFAOYSA-N 404.496 1.262 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](CO)c2ccc(OC)cc2)ccc1F 1556958783 PRPBATLEDRDNHU-MRXNPFEDSA-N 422.478 1.805 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)c3c2CCCC3)CC1 1558074686 DWZRRKFZJPGRFI-UHFFFAOYSA-N 407.511 1.249 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1559007777 OUQWECZGCHFSNJ-GFCCVEGCSA-N 407.448 1.197 30 10 HDEE C=CC[C@H]1CCN1C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1559042365 VAYLZANGGJGCQH-AWEZNQCLSA-N 417.487 1.752 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ncnc3cc(Br)sc23)CC1 1559265915 IJGSZGYJOLCRAR-UHFFFAOYSA-N 416.326 1.043 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(-c3ccncc3)ccc2OC)CC1 1560982655 CVUAGPGVWABPFS-UHFFFAOYSA-N 400.504 1.342 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 1562135309 IIFUDIYPGUZLKC-LJQANCHMSA-N 406.486 1.694 30 10 HDEE CC1(C)[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@H]1OCc1ccccc1 1564615860 CJDKVUSFOYHEGX-QZTJIDSGSA-N 423.473 1.771 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1565629460 AIFVPXKAZNSAFW-FOCLMDBBSA-N 402.361 1.137 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@]1(CO)CCc2ccccc21 1583455888 CSFABWSEHMSFJI-OAQYLSRUSA-N 413.499 1.108 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)OC)c1 1587692404 DGGLDJQAMFVUKT-QGZVFWFLSA-N 424.505 1.710 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)c(F)c1 1587988886 DEIZOWLQGWTUOB-OAHLLOKOSA-N 406.483 1.640 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OCC)c1 1587988915 DRJMSCKXHCUMCN-MRXNPFEDSA-N 418.519 1.705 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1588034188 BNIWWZQYHWIXIN-NVXWUHKLSA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1588059954 XMCKPIVSBVOBHV-OAHLLOKOSA-N 423.926 1.595 30 10 HDEE Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nnn1Cc1ccncc1 1588090528 HZTZTUBYKMSKAW-KRWDZBQOSA-N 401.430 1.893 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@H](F)C2)CC1 1588923777 LVWHYLLGXLWCBW-XIRDDKMYSA-N 416.501 1.333 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 1593752493 LVHKWNHIBOWILT-NHFXJNLRSA-N 409.421 1.939 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1594839151 DHQFSDDFCYJIRJ-AWEZNQCLSA-N 404.496 1.372 30 10 HDEE C=CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1594858333 YQJPZUDZZKESRI-IFXJQAMLSA-N 424.498 1.729 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1595906110 YMPCHUCFBZSGPI-MRXNPFEDSA-N 408.572 1.307 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1596071526 IIVWLECXDKTFQI-YADHBBJMSA-N 405.502 1.939 30 10 HDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)NCc1ccccc1 1597565652 PJIYHOFYUYTEMO-CYBMUJFWSA-N 403.435 1.558 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1598142555 RANDTNOWOKKNIG-UHFFFAOYSA-N 415.443 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cccc(C#N)c2)C1 1611545735 DWFQKTZCWURNTM-MRXNPFEDSA-N 407.492 1.712 30 10 HDEE CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)Cn2cnc(C#N)cc2=O)c1 1614569593 FCRNGAXJQJRBQV-UHFFFAOYSA-N 423.454 1.579 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC1CCOCC1 1616924260 OKWDGEQYJFNCOQ-GOSISDBHSA-N 418.542 1.577 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CCNC(=O)c2cc[nH]n2)cc1 1620351548 AXUFLCUWTVOKKP-UHFFFAOYSA-N 418.461 1.648 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](CCO)C1CCOCC1 1622006304 ATMZXEVFIZZITL-AWEZNQCLSA-N 403.298 1.777 30 10 HDEE N#Cc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cn1 1624841632 IRKFDBRWTSJZGB-SFHVURJKSA-N 414.487 1.269 30 10 HDEE Cn1ncc(I)c1CNC(=O)c1ccc(C#N)c(Cl)n1 1624866742 QAXMOJUJGVVPMB-UHFFFAOYSA-N 401.595 1.875 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccccn2)s1 1625003321 FFDNKIPIPMJWPE-INIZCTEOSA-N 409.489 1.180 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1627504042 LCAVRIZHVRXGDO-QGZVFWFLSA-N 406.504 1.273 30 10 HDEE CNS(=O)(=O)NCC(=O)Nc1ccc(OCc2cccc(C#N)c2)c(Cl)c1 1627853913 QYTCYPOTHAJEGX-UHFFFAOYSA-N 408.867 1.783 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)N1CCN(C(=O)CC#N)CC1 1630034070 FMAUXVKXVWTVLG-QGZVFWFLSA-N 402.520 1.431 30 10 HDEE C=CCC1(NC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CCOCC1 1632362368 BGWXAMIANYITPX-UHFFFAOYSA-N 412.508 1.614 30 10 HDEE O=C1C=COC2(CCN(C(=O)N[C@@H]3CCN(C(=O)COc4ccccc4)C3)CC2)C1 1634687357 FXSITCHIIMJEFW-QGZVFWFLSA-N 413.474 1.714 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 1634827905 DSYWUSFXNLTSPI-VXPUYCOJSA-N 418.881 1.606 30 10 HDEE N#C[C@@]12CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@H]1CS(=O)(=O)C2 1635692266 CBVGIXBEBAMFKA-RXVVDRJESA-N 400.500 1.925 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC[C@@]4(O)CCOC4)CC3)n[nH]2)cc1 1636662482 VXTPFWAKCSUMLS-OAQYLSRUSA-N 410.478 1.321 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cc3noc(C)n3)CC2)s1 1638942627 GXKLNUNTQNCQEV-UHFFFAOYSA-N 424.548 1.928 30 10 HDEE Cc1nc(O)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1-c1ccccc1 1640636292 AJFBSFOKHQAESK-UHFFFAOYSA-N 403.398 1.594 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc3ccccc23)CC1 1644285597 RVDMALOJEQHVLG-MRXNPFEDSA-N 401.488 1.219 30 10 HDEE CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC1 1646439829 SQTJOTVRKLZCFP-LIRRHRJNSA-N 423.535 1.705 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(C)C 1652387441 YZHXVBMCTGTTOZ-UHFFFAOYSA-N 405.520 1.170 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC[C@H]12 1653072445 CABREDHZAUTASJ-IQGAEYHTSA-N 423.535 1.563 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1Cl 1654652624 CVSLFELXQHSIDD-UHFFFAOYSA-N 403.914 1.956 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1n[nH]cc1C(=O)OC 1654970342 XHSZJFXIINCHPS-MRXNPFEDSA-N 421.475 1.547 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1 1660070141 BMDMJXQCADKRAT-GUDVDZBRSA-N 419.547 1.464 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)N=[S@](=O)(c2ccccc2)N(C)C)c1 1660893305 WGFWPPBLEXASAE-HHHXNRCGSA-N 420.516 1.445 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1673611246 MEFZRORZHBXUIP-HEHNFIMWSA-N 404.492 1.491 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1679673019 NBVJXDUULKDQAX-HNNXBMFYSA-N 413.565 1.803 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CCCO2)cn1 1680025026 SOCLJPWUYXDYAU-SIKLNZKXSA-N 422.489 1.792 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)OCC)(C(F)(F)F)CC1 1680909834 OZEXKDBIYHWLSK-UHFFFAOYSA-N 400.419 1.504 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 1687449636 HTQLKNZAGWSJJP-QGZVFWFLSA-N 420.535 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1689843209 QZQHTYRLBSBDDG-AEFFLSMTSA-N 406.490 1.770 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689989814 IZNPHWZCFIUBCU-IAGOWNOFSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689991934 DTBBDBJXNCIPDG-PXNSSMCTSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCCN1CC 1690025364 OABMBHKWPAIBNN-KRWDZBQOSA-N 410.547 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1690074292 XJYLDHOXTHZVJQ-NRFANRHFSA-N 405.462 1.532 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cnn(C)c2)CC1 1690253152 NFTRMRYQALQBJN-YLJYHZDGSA-N 415.542 1.856 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1690299516 VIHNDFIEJFZXAV-GOSISDBHSA-N 421.542 1.737 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690311384 JFKCOMXYJSBLMI-RXVVDRJESA-N 405.543 1.676 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1690345723 BPXSSBNHHVKBDX-UONOGXRCSA-N 404.920 1.174 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(C(=O)NCCC)CC1 1690723044 FYSDLFAOXZNHLU-UHFFFAOYSA-N 423.583 1.889 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1C[C@H]1C 1692538181 UXPOGWPBNNIZAG-NVXWUHKLSA-N 408.510 1.666 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2Cc3ccccc3C2)n1Cc1ccc(C#N)o1 1692774252 KNXCQTWTXRKNDS-ZDUSSCGKSA-N 412.475 1.921 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1692851880 HEYBCABWESIVAU-DYVFJYSZSA-N 406.537 1.815 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1693873829 CKDHAJYCFPMUND-JNAXZKDPSA-N 401.442 1.277 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1694264936 FUFMEMOXZIWZFB-LSDHHAIUSA-N 412.498 1.826 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)cs2)CCO1 1696964248 HQZJDSAWXFVSPV-MRXNPFEDSA-N 423.502 1.581 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705560880 OEAKDUMOENOWAC-QWXGXRTQSA-N 412.581 1.329 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562860 LUHBSKAZUKHISP-UZLBHIALSA-N 418.519 1.634 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(OC)CCOC1 1705577975 AYXULWZCOWYXTL-QFIPXVFZSA-N 408.458 1.595 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@@H](O)C1 1705585412 RRHZWKRYXGMNCE-IAGOWNOFSA-N 411.531 1.894 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nc(C)c(C)s1 1705598464 KFAFMKZXIAABIQ-MRXNPFEDSA-N 417.560 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1705598514 KZSHNCUNNOABKL-INIZCTEOSA-N 417.560 1.765 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCOC[C@@H]2C)CC1 1705644440 QVMFSMZXQWVLLB-MSOLQXFVSA-N 416.570 1.478 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1 1705706215 QYWHUNLNSKPAHD-MDZRGWNJSA-N 417.510 1.381 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1705825597 XQALYPREQDSLEL-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CC=CCC1 1705903107 QHRGBVOQKNMDBN-HZPDHXFCSA-N 407.540 1.275 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1706010998 YARYGTWFQMPJLG-MJGOQNOKSA-N 410.478 1.908 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC1 1712647779 KAWLOXZWFAQCAX-KSZLIROESA-N 404.515 1.217 30 10 HDEE CCN(CCC#N)C(=O)CN(C)C[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1713895033 MPBDCZSUUYTVQR-KKEPMVJESA-N 402.539 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@@H](C)N1CCOCC1 1722387444 VZKMENBGUYRUTO-HXUWFJFHSA-N 407.518 1.959 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(=C)C 1722429436 RCMRIBDLVXGPOC-KSZLIROESA-N 422.551 1.247 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)SC)CC1 1722449909 TZPMDKWGJHUZKA-OAHLLOKOSA-N 418.567 1.118 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccs1 1722699113 RLMXEXWTFLYNFL-CYBMUJFWSA-N 409.537 1.180 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccccc2OC)nnc1N1CCOCC1 1722703610 DDHUQUBFEFEOMH-UHFFFAOYSA-N 403.508 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1722730995 AHEGMCRZYPJNRL-ABSDTBQOSA-N 424.567 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@H](N2CCCCC2)C1 1722731214 GZDKEUJCAPDVEU-QGZVFWFLSA-N 411.572 1.480 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CN(C)C1=O 1723306897 AMMSAFYPLZFPLA-NRFANRHFSA-N 409.494 1.490 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cs1 1725415232 SRZLPTJTTSLJMR-YOEHRIQHSA-N 417.539 1.083 30 10 HDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1726819318 SVTAKWIMTHMUPP-JOCHJYFZSA-N 424.505 1.701 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCc2nc(C)no2)CCOC1 1728794048 DJXPTZCCEQAAQH-RBUKOAKNSA-N 419.461 1.696 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1730536517 BSSNZNLGYNGTLF-OAQYLSRUSA-N 421.461 1.701 30 10 HDEE COCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730927917 TYVGNRWWNUNGRD-FUHWJXTLSA-N 404.515 1.012 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@](F)(C#N)C1 1731003229 DASLBACILIVVKD-MRXNPFEDSA-N 412.878 1.870 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1740672343 DADQWOSQJZJQLT-UHFFFAOYSA-N 405.524 1.228 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC2(C1)OCCO2 1740679131 ZRBWRDOXADDTKM-INIZCTEOSA-N 405.499 1.046 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1740693056 SLIFTEHNYNGRAL-AVRDEDQJSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1740695897 HAVSZHHMNLPXRE-UHFFFAOYSA-N 419.537 1.646 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740793107 POYTVMNPKHUNLN-MJGOQNOKSA-N 404.559 1.422 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740822431 PRJRKFGNWUGXRV-HTXNQAPBSA-N 408.466 1.361 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CC2(C(N)=O)CCOCC2)CC1 1740840887 MNFMHAKKZMGJGX-UHFFFAOYSA-N 410.522 1.948 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCS(C)(=O)=O 1740955965 JQOOOHKDDKRJCE-UHFFFAOYSA-N 411.915 1.382 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@]2(O)CCOC2)C1 1740981276 MXWHHCADFKTLRO-PGRDOPGGSA-N 414.506 1.810 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CC=CCC1 1740990773 FNBMXRMIPGTASV-JKSUJKDBSA-N 407.540 1.623 30 10 HDEE CC[C@H](C)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)OC 1743535117 GZIDRQCPLGDLIK-JCGIZDLHSA-N 401.515 1.930 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1748738552 HVJWUYGZQLDKFZ-OAHLLOKOSA-N 407.482 1.153 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748802158 MIAMJAKIAXKTHK-BEFAXECRSA-N 410.540 1.008 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCCS(C)(=O)=O 1748841330 YXWSLPPQJVQPOT-UHFFFAOYSA-N 409.515 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1748846456 HABUJTQNKVQXBT-IBGZPJMESA-N 419.510 1.850 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1748847754 WQPAEDCZIMQIHC-KRWDZBQOSA-N 413.503 1.095 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1748925267 FUVWVCBKDUNSHM-RDTXWAMCSA-N 408.549 1.609 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cccc(O)c2)CC1 1749019184 NOCDVAJLBFWAEE-LJQANCHMSA-N 409.490 1.849 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCCC 1749051603 JWSKGEQARDOFKO-OAQYLSRUSA-N 409.494 1.834 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C 1749140055 LFASADUHNMFEDX-WMZOPIPTSA-N 405.543 1.852 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1749265030 LQUPJEPQFBVSJQ-UHFFFAOYSA-N 408.890 1.527 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749407268 YXLYMYIDKHVGPR-INIZCTEOSA-N 409.556 1.770 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nnn(C)n1 1749592564 PWZMLLRQPHUFJS-UHFFFAOYSA-N 420.481 1.546 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749669099 BWBXRMUGKNNUDZ-ZDUSSCGKSA-N 417.432 1.368 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1750572851 PJIXTJYGASZYJL-QGZVFWFLSA-N 412.494 1.726 30 10 HDEE CC(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1750596717 FCKZMEIZYSWVHV-RCCFBDPRSA-N 404.515 1.215 30 10 HDEE Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)cc1 1751559319 AWQMKTISKMXDEN-QFIPXVFZSA-N 410.522 1.972 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1760173508 XMPJSFQIZLOAHY-MRXNPFEDSA-N 404.492 1.224 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760187546 WTZIUTRSYSWDFW-QZTJIDSGSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCN1CCCO 1760220763 CIFHUOHWSIFIAY-NRFANRHFSA-N 406.534 1.574 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC12CCC(CC1)C2 1760242994 UAELCYCCJGUYES-MDCZIUGASA-N 409.556 1.555 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1760245406 BSXUCLUYOSVMAO-SFHVURJKSA-N 406.490 1.817 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1 1760248188 CZENAGXBFDQZTH-KRWDZBQOSA-N 403.433 1.836 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1760521063 ITBJUCIOVXHIBZ-NVXWUHKLSA-N 418.542 1.215 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1760689959 IBSPKRDDKOKZMY-AWEZNQCLSA-N 418.523 1.316 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1)[C@H]1CCOC1 1768576805 FGGVQSBDPLRRBT-KRWDZBQOSA-N 408.466 1.636 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(C#N)o1 1771293009 ZGNSNGPTEAJQNB-YOEHRIQHSA-N 414.466 1.217 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)ON1C(=O)c2ccccc2C1=O 1772789167 ABLLBGTYGHPGSL-MRXNPFEDSA-N 420.418 1.883 30 10 HDEE CN1CCC(N2C[C@H](C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)CC1 1849789151 AKFXGKBNSHEDAP-GOSISDBHSA-N 410.518 1.871 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC1=O 1850025627 DJSIRCJOMZNBMU-LBPRGKRZSA-N 402.407 1.735 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3nncc(-c4ccccc4)c3C#N)C2)cc1=O 1851375680 ZVGSTPUJDLRPPJ-MRXNPFEDSA-N 415.457 1.964 30 10 HDEE C#CCCCN(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 1851550611 RULMNVXJLUMBFH-FQEVSTJZSA-N 401.532 1.681 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CCNC(=O)c3ccccc3)CC2)nc1 1851839537 JWSKSKJJQWDPNG-UHFFFAOYSA-N 407.474 1.439 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 1851993349 UJVHYCSCYHWIMO-AWEZNQCLSA-N 404.414 1.283 30 10 HDEE C[C@@H]1CCCN(C(=O)CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852146335 DAPAVPFLMQFZQT-WIYYLYMNSA-N 401.507 1.913 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4cc(C#N)c[nH]4)CC3)nn2)cc1 1852159628 HSIZHAGWCLSUAV-UHFFFAOYSA-N 403.446 1.810 30 10 HDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)CN2CCCS2(=O)=O)c2ccccc21 1853619180 FYMWMPOAIMOQLZ-OAHLLOKOSA-N 404.492 1.484 30 10 HDEE Cc1ccc(Oc2cccc(C(=O)N3CCN(S(=O)(=O)CC#N)CC3=O)c2)cc1 1854510144 RMSJAVJIZSRXCJ-UHFFFAOYSA-N 413.455 1.925 30 10 HDEE COc1cccc2sc(N3CCN(C[C@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc12 1854741801 OWLXCSRSSMITHY-CQSZACIVSA-N 413.503 1.716 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)Cc2cccnc2Cl)CO1 1856510845 DYUZHVIEKJTTEQ-AWEZNQCLSA-N 407.835 1.697 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)C[C@@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708112 PMTRTILPINNXIU-GXTWGEPZSA-N 419.450 1.725 30 10 HDEE Cn1ncnc1CN1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C12CCCC2 1856902454 DDFGREPCNRUAKW-UHFFFAOYSA-N 406.490 1.803 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1856974109 BENFPSKTMALBDF-QGZVFWFLSA-N 409.446 1.782 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3ccccc3-n3cnnn3)C2=O)CC1 1857195694 GDDVSUHVDOMTIQ-LJQANCHMSA-N 407.478 1.809 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3cccnc3n2)C1)[C@@H]1CCN(C)C1=O 1857299900 WHIWAIHXARGHGS-CRAIPNDOSA-N 407.474 1.337 30 10 HDEE COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)c(C)c1 1857969657 MNFOXTLVGCFUKV-UHFFFAOYSA-N 401.492 1.793 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1C#N 1858018958 SLGIBGQVGULFRS-UHFFFAOYSA-N 414.443 1.335 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)N2CC[C@H](C(=O)Nc3cccc(C#N)c3)C2)s1 1858425994 SQXCCSFUBCXTSL-LBPRGKRZSA-N 420.476 1.017 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)Nc2nccs2)cn1C[C@@H](C)O 1870503303 GBYDTJZBAFQQAK-OAHLLOKOSA-N 418.519 1.877 30 10 HDEE C=CCn1cc(OCCCOc2cccc(C)c2)c(=O)cc1CN(CCO)CCO 1870781642 IIMNFDADTCFYDG-UHFFFAOYSA-N 416.518 1.977 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccn2)CC1=O 1874274857 VONZLXAXHUQBIA-PITUFAOZSA-N 401.496 1.247 30 10 HDEE NC(=O)CSc1nnc(C2CCC2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874494118 FSOHXQAKFSJJEJ-UFWORHAWSA-N 418.435 1.685 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889240389 CNYCAYPNLPFZML-UHFFFAOYSA-N 401.555 1.379 30 10 HDEE C#CCOC1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)CC1 1890935160 LBJSOVJVSIFAHN-KRWDZBQOSA-N 407.536 1.433 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)cc2)C1=O 1891164869 UVVBQEBDSRKIQB-QGZVFWFLSA-N 406.446 1.904 30 10 HDEE C#CCC[C@@H](NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123811264 XZKSLGNGNKOIRK-LZJOCLMNSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NS(=O)(=O)CC2(C#N)CCCC2)C1 2166321344 SJIWBFDTVYCJIM-GOSISDBHSA-N 401.529 1.752 30 10 HDEE C[C@H](NS(=O)(=O)CC1(C#N)CCC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2166327630 VFTFBAKVLSKUEL-AWEZNQCLSA-N 401.529 1.750 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC(C#N)C2)[C@@H](C(F)(F)F)C1 2174771780 RIGWHKMOXVMUIH-NEPJUHHUSA-N 412.434 1.322 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1cc(F)ccc1C#N)C(=O)O 2195346251 PHCIQIXQNCBMFY-CQSZACIVSA-N 400.428 1.980 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@@]1(F)CN(S(=O)(=O)N1CC[C@@H](C#N)C1)C2 2198269166 CWFRNZXEINNQSH-XKQJLSEDSA-N 402.492 1.548 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243697247 HYECKXLEJVGUGN-HXUWFJFHSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244549045 XPESHQCNJSSUMK-GJZGRUSLSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247828447 NVXYEMYNWJSCEU-UHFFFAOYSA-N 418.303 1.402 30 10 HDEE CC1(C)OB(c2cncc(C(=O)N(OCc3ccccc3)C3CNC3)c2)OC1(C)C 2247849807 FSFDJGWDHCTQDC-UHFFFAOYSA-N 409.295 1.927 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)COC1 2247911840 YZLQMRZBNPVLKU-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258163153 ZPRQBNDSUFLUTI-GDBMZVCRSA-N 411.480 1.266 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(O)CCSC2)OC1(C)C 2267728698 YTKGLDPNZJMIRA-HNNXBMFYSA-N 405.372 1.194 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2282012029 QBALAKIZADWZSL-VXGBXAGGSA-N 400.331 1.138 30 10 HDEE CC1(C2CCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)CC2)OCCO1 2282179469 UFRDGHSOFUCPGZ-UHFFFAOYSA-N 402.300 1.996 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)C[C@@H](O)C1 2282313376 KLIGXWWDPZYJFI-NWDGAFQWSA-N 405.322 1.449 30 10 HDEE CCN([C@@H]1CCN(C)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333466 PBOIUMMKXLDWMQ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC(C)(O)C1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282490032 GENGWPUBHCPZEO-UHFFFAOYSA-N 401.359 1.875 30 10 HDEE C=C(CS(=O)(=O)N1C[C@H](S(C)(=O)=O)CC1(C)C)B1OC(C)(C)C(C)(C)O1 2282496887 IYLVCXIQMUVXKW-CYBMUJFWSA-N 407.363 1.401 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500954 PZNRDUADKVNVHJ-SSINHNECSA-N 422.403 1.322 30 10 HDEE C[C@@H](O)C[C@@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838123 JHGFDZRWZJNUGA-VXGBXAGGSA-N 404.363 1.269 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](N)C2CCC2)OC1(C)C 2282841914 YXETWQVTWZGWRQ-AWEZNQCLSA-N 400.375 1.594 30 10 HDEE CN(CCCCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284412650 WTKPIHAKHLSADM-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(NC(=O)OCc2ccccc2)C1 2346567532 JFDOMCKCXCYYSU-OHTSDLOESA-N 420.487 1.021 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@@H](O)c1cn(C)nc1I 2361290228 KPTKGMBEMASLPD-RYUDHWBXSA-N 405.305 1.935 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc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n1/c(=N\C(=O)c2cc(C)nn2CC)sc2cc(S(N)(=O)=O)ccc21 13700105 NJGZSKGRISOPHU-HTXNQAPBSA-N 405.505 1.802 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(Cn3cncn3)c2)c1 49363720 IWKDTWJZVFLZTD-UHFFFAOYSA-N 411.487 1.721 30 10 HDEE O=S(=O)(/N=C1\C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccccc1 100918903 SRIZICIGFZNFNF-ASBZNUFUSA-N 400.456 1.232 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(CCO)[C@@H](C)C2)n(Cc2ccccc2)c1C 426492823 AAVCAAVFUNRCTP-KRWDZBQOSA-N 409.534 1.962 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 429471222 NUWLMSWRHVGJGV-NIKGAXFTSA-N 409.490 1.928 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](CCC#N)c2ccccc2)c1 439452157 ZQTUJAVZUFMFLP-KRWDZBQOSA-N 400.460 1.694 30 10 HDEE C[C@H]1CN(c2ccc(CNS(=O)(=O)Cc3ccc(C#N)cc3F)cn2)CCO1 481061629 PFNMGVIDPLAOMW-AWEZNQCLSA-N 404.467 1.937 30 10 HDEE Cc1noc(C2CCC(NC(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 482841171 WWYABRJKLFIDJH-UWTIGNOOSA-N 417.491 1.759 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cn1 484055608 XJSDKLWOSPOQHF-UHFFFAOYSA-N 411.466 1.802 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 502519997 OGFPKCZUDWBTSA-QFIPXVFZSA-N 420.554 1.795 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 503425899 IXUHMOATWUOSDF-ASENKUEUSA-N 401.463 1.171 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 504724556 HMLRJTRDIHUNET-HUUCEWRRSA-N 410.496 1.423 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 507403407 OBTRUTZRCOSAAI-VBKZILBWSA-N 400.435 1.637 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CN3CCCc4ccccc43)n2C)CC1 508983873 UJCCAHFYPXQMLA-UHFFFAOYSA-N 409.538 1.192 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 512148978 SIROVBSPKBVLRO-QGZVFWFLSA-N 419.528 1.489 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 515662632 UWRUPRSAYSRJGD-UHFFFAOYSA-N 403.467 1.232 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CC(=O)N(Cc3ccccc3)C2)CC1 533903538 RIMGTNJGFUOVTC-LJQANCHMSA-N 418.501 1.834 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)O)cc2)c(F)c1 548524084 BYHNRJRLVLSXLB-UHFFFAOYSA-N 409.370 1.842 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cc(I)c(F)cc2F)n1 552326887 DWQRVAWKPUWALF-UHFFFAOYSA-N 403.130 1.463 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc(OC)ncn2)CC1 555270058 XJWFUQJYQMIISG-UHFFFAOYSA-N 400.487 1.118 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cnn(-c3ccncc3)c2C(F)F)c1C#N 555660194 VUUQMBWYZLLVAH-UHFFFAOYSA-N 400.393 2.204 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CCCC1 557849494 RVPYUPVEAXRLPY-HOTGVXAUSA-N 403.504 1.909 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 558456275 DEBXDAXJJLYHPY-UYAOXDASSA-N 422.533 1.883 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC(C)C 571271728 QVMDTIRELSTCNN-UHFFFAOYSA-N 407.499 1.001 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 583766193 XWECYDNMWWSFPS-CABCVRRESA-N 415.585 1.519 30 10 HDEE Cc1cc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)ccc1F 589469038 APKSXBAMIPYGBL-LJQANCHMSA-N 417.462 1.884 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1 604182353 BWVCGFHHJPZVCJ-MRXNPFEDSA-N 421.492 1.421 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2CCN(Cc3ccccc3)CC2)CC1 604182499 MKTLSCMCPNWLCS-UHFFFAOYSA-N 413.566 1.528 30 10 HDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N[C@@H]2CCCc3ccccc32)cc1 726788517 ORISZBDSJKKOPQ-GOSISDBHSA-N 401.488 1.921 30 10 HDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730139662 CDGBYEQENUKHAE-GDBMZVCRSA-N 419.551 1.211 30 10 HDEE O=C(COc1ccc(Cl)c2cccnc12)NCCN/C(O)=C1\N=CC=CC1=O 731861448 BNTBTDOYXWNRJE-VHEBQXMUSA-N 400.822 1.910 30 10 HDEE O=C(CCC(=O)N1CCC(c2ccccc2)=N1)NCCN/C(O)=C1/N=CC=CC1=O 731862354 DRXFDISLCKEHBZ-MRCUWXFGSA-N 409.446 1.046 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@@H]2CCCO2)C1=O 734296028 MPSALTCXFLIXSR-DOTOQJQBSA-N 416.503 1.821 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 734920546 JOUINNCWKHIYLP-WIBUTAKZSA-N 401.463 1.766 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnccn1 735480574 MMRJIHLXSREHAJ-MRXNPFEDSA-N 401.492 1.588 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746530787 JZEGAUBQABLXSV-YFHOEESVSA-N 413.455 1.803 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 755131606 IQRJNVWLRRDILX-PXNSSMCTSA-N 406.889 1.118 30 10 HDEE C#CCCN1CCC(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 755390723 DINOXQRGOVVEIC-QGZVFWFLSA-N 406.527 1.106 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1COc2ccccc2O1 765656646 KHEDBYMFAMMDPG-AWEZNQCLSA-N 415.471 1.462 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 766985702 DXTBQQCYOWVHPI-CABCVRRESA-N 414.439 1.947 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CCN(C)CC3)c2=O)cn1 772301133 ASMKLRCTVTWPFP-UHFFFAOYSA-N 423.542 1.346 30 10 HDEE C#CCN(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774040669 UWQRKXUSZXJEPL-LJQANCHMSA-N 417.531 1.896 30 10 HDEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@H]1CCS(=O)(=O)C1 774245960 QQGDJGDUUSPATA-CVEARBPZSA-N 415.556 1.758 30 10 HDEE C=CCOc1cccnc1C(=O)OCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 775112646 BAXXQXTTXWLEHE-OAHLLOKOSA-N 410.492 1.475 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 780206121 QEWOXZSEPVDQCX-ORYQWCPZSA-N 407.470 1.914 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C#Cc1ccc2c(c1)OCO2 787923481 GTHGUHFWRVZLND-NRFANRHFSA-N 402.410 1.423 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnc(OC)s1 788615821 GAZDDIBBRQDHST-NSHDSACASA-N 409.493 1.783 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)n1 788696271 NWIYQDWKHAOZOG-UHFFFAOYSA-N 412.515 1.953 30 10 HDEE CC(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802662213 QEMHZFFPVARGCO-LJQANCHMSA-N 418.509 1.753 30 10 HDEE C[C@@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 803922873 WGQAHPDUWHIEQF-MLGOLLRUSA-N 408.451 1.306 30 10 HDEE C[C@@H]1COCC[C@@H]1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809123727 JEQCZJKMTZGBNV-SCZZXKLOSA-N 405.245 1.937 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 809893268 LKMAUUNYMULZQF-GJZGRUSLSA-N 420.514 1.474 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914595018 QDBXVHBHTNSXQP-OFQRWUPVSA-N 408.476 1.293 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)NCCCN1CCCCCC1=O 919078501 XVEIGJVXGMBFRQ-INIZCTEOSA-N 401.463 1.778 30 10 HDEE Cc1cc(C(=O)Nc2c(C#N)c(C)c3ccccn23)nc2c1c(=O)n(C)c(=O)n2C 1128936779 GIJKGPAYQKFKRV-UHFFFAOYSA-N 402.414 1.626 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1136751806 VYXOGBVVTPKACV-KHPPLWFESA-N 417.443 1.737 30 10 HDEE N#C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1140739722 QJDLTSGCQKKENG-OAHLLOKOSA-N 417.443 1.263 30 10 HDEE Cn1ncc(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1141507036 VTRHHJUMDCEXLS-UHFFFAOYSA-N 403.284 1.634 30 10 HDEE COCCn1ncc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1C 1141515232 UVYBMGLTMYSVKW-UHFFFAOYSA-N 407.478 1.840 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 1141770372 OZGSQJHRFAFPJS-WFXMLNOXSA-N 402.491 1.958 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(F)(F)c2ccccc2C#N)C1 1156591211 BHCMLFYXLKMIHH-HNNXBMFYSA-N 415.462 1.549 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCCN2CCO)C1 1158995809 XSLMTDVHXGGFNB-QGZVFWFLSA-N 421.339 1.720 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCN1S(C)(=O)=O 1166750113 CKCVVCZMZWFZPL-CQSZACIVSA-N 403.460 1.836 30 10 HDEE COC(=O)C1=NO[C@]2(CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)C1 1175502067 BTYDWHLTCJEFDB-YCRPNKLZSA-N 414.462 1.724 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 1175935113 GOXWEEBHSUGNGA-GVDBMIGSSA-N 405.520 1.697 30 10 HDEE C=CC[C@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1180064256 YQHMKVWAFGXCKP-SFHVURJKSA-N 419.547 1.785 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccnn2CCc2ccccc2)CC1 1211639238 ZPQNVCZCWIHASP-UHFFFAOYSA-N 400.504 1.276 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)Cc2ccc(C#N)nc2)CC1 1264289667 CPTHQLBZXXTYQN-UHFFFAOYSA-N 403.464 1.024 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C)c1 1286309502 LGSLVYOWZLQQBR-QAPCUYQASA-N 423.521 1.236 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(OC)c2)CC1 1286360303 FLSSZPNFXCKECI-OAHLLOKOSA-N 417.535 1.698 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C(CC)CC)N(C)C)[C@H]1CCS(=O)(=O)C1 1286394956 PZSTXBCAWRTXKW-ZWKOTPCHSA-N 409.600 1.834 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286399030 XBOZYOQNTIXEPR-BRWVUGGUSA-N 422.551 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)Nc2ccccc2)CC1 1286476819 GIQHVVUMWKDCEL-UHFFFAOYSA-N 418.505 1.463 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286789563 UVAJEWQYTHOOMC-GOSISDBHSA-N 423.521 1.157 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286824127 URYHSJPKYHFJQC-GASCZTMLSA-N 418.523 1.695 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)c(I)c1 1288996201 AMZVOOILDVFXGN-NFFDBFGFSA-N 424.194 1.822 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1296605630 HZWYALNPRCVMMF-VQTJNVASSA-N 422.505 1.534 30 10 HDEE CNS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)cc1 1298426021 NRPCKKNKPJJNQE-OAHLLOKOSA-N 421.500 1.466 30 10 HDEE COC1(C(F)(F)F)CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 1299538734 RARCPZQTZVYBPT-UHFFFAOYSA-N 419.425 1.980 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)C1 1300019443 XHGMYGMVZZEEGJ-LJQANCHMSA-N 412.515 1.876 30 10 HDEE COc1ccc(OCCn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1300323928 RRCXVLDWRZEZLQ-LPHOPBHVSA-N 413.478 1.988 30 10 HDEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)CC1 1300394301 OBBLQWKJRBXDJT-UHFFFAOYSA-N 424.530 1.988 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300413095 OIPBFRMRWMWSDG-KRWDZBQOSA-N 419.493 1.209 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(Cl)ccc1OC 1300459679 UXMXUGAUEJUVCZ-ZDUSSCGKSA-N 408.911 1.960 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)CC 1300578717 GZENYXFGAWTRCR-MUUNZHRXSA-N 401.492 1.237 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2nsnc2c1 1300590777 HDCGDEJFNOQGRW-UHFFFAOYSA-N 419.514 1.916 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)CC1 1300707371 FYKWSVFSYXTOEY-GOSISDBHSA-N 407.522 1.434 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)CCOC 1300779318 UWOOUCNLOBKYNO-NHCUHLMSSA-N 412.494 1.705 30 10 HDEE C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1300824699 DYIJTTUYHNHRHT-CABCVRRESA-N 416.544 1.456 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300956564 AUUIYMGGKXLXHQ-SFHVURJKSA-N 411.554 1.877 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301228960 BFSKLVWFXBFJSG-FQEVSTJZSA-N 414.535 1.952 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](OCCOC)C1 1301484621 JFXOKBWRTVYAKE-IBGZPJMESA-N 424.505 1.751 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)CC1 1301510412 XHPFWYABFITHHT-UHFFFAOYSA-N 410.522 1.424 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(OC)C1 1301588774 JHJQYRPPSOCBLP-APWZRJJASA-N 412.556 1.778 30 10 HDEE CC(=O)N1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1301673183 BNPGGXMKXZGGRT-PBHICJAKSA-N 422.555 1.035 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOCC(F)F)cc1 1302988939 FEYLQIBDOZJBBV-OAHLLOKOSA-N 404.421 1.800 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@@H]1CCOC1 1304853713 PGCNKCXWKQSRLH-IBGZPJMESA-N 411.510 1.623 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1305635499 FWDGPXQNXCSYSU-AUSJPIAWSA-N 401.515 1.664 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1nc(N2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1 1306689862 PTDWZMVFKVUHGI-KBPBESRZSA-N 406.487 1.782 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1313189213 VJEATFKPKCTVHP-MRXNPFEDSA-N 407.511 1.269 30 10 HDEE CC[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C(=O)OC(C)(C)C 1313328908 VRGNCUXXEGIYIZ-CABCVRRESA-N 402.499 1.936 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1314019475 HQHDJICJJFUUOR-UHFFFAOYSA-N 411.466 1.183 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1314682668 VNKWMNSQEQMVTJ-ZWKOTPCHSA-N 413.503 1.785 30 10 HDEE CO[C@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1315724518 MGHRFTOHQDDKJO-RUNIHZNKSA-N 416.526 1.864 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CCO1 1315928747 ALDLGSGFHPBTIZ-INIZCTEOSA-N 411.491 1.877 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1316241566 MHRVVJGROFMMMF-SFHVURJKSA-N 422.493 1.728 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)C3(c4cccc(C#N)c4)CC3)cn2)c1 1335034854 XQHNNBANMCPZMV-UHFFFAOYSA-N 407.455 1.984 30 10 HDEE C#CCO[C@H](C)C(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1339635377 JOGGADYFHNXART-XPFKWROGSA-N 400.450 1.520 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)nc1Cl 1351602615 AKTVYMXNCWLREY-UHFFFAOYSA-N 414.878 1.634 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)CC3(C#N)CCOCC3)CC2)cc1 1352288749 SRXWGTNFYKCQDI-UHFFFAOYSA-N 405.520 1.975 30 10 HDEE C=CCC(C)(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1355870757 GGCKMABMXPBFQB-AWEZNQCLSA-N 400.522 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(N)=O)c1 1358992309 IGKMSHIGWYBQJH-GOSISDBHSA-N 404.474 1.034 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C(C)C)CC1 1359045090 WRLYRHRUKYRCMI-QGZVFWFLSA-N 414.554 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1359067797 BPXQUVDDMJVDPX-HTAPYJJXSA-N 417.473 1.797 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359120858 HKFRFASIEZOZHX-OAHLLOKOSA-N 400.487 1.209 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCCS(C)(=O)=O 1359141335 COYOFANZHKFCLU-UHFFFAOYSA-N 412.903 1.549 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1359150578 BIKVPWGUVLUDLL-CQSZACIVSA-N 417.963 1.990 30 10 HDEE C=C(Cl)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359157151 AGRGOAKGLZSBKP-MRXNPFEDSA-N 404.920 1.306 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359221325 XZKSFUVZKFQBPC-HXUWFJFHSA-N 406.531 1.746 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359229111 YUPYHMJHJHHLBQ-FQEVSTJZSA-N 424.553 1.909 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1359237154 MYLVPTCHSJFWOX-HXUWFJFHSA-N 407.522 1.916 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359297029 CBLQONOGAMTUQP-UHFFFAOYSA-N 421.461 1.198 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCN(C)C2)C1 1359322951 FMZVUYNIORKAFK-XMSQKQJNSA-N 415.513 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CCC(CO)CC1 1359333982 PVZHVHOYMKWNPF-UHFFFAOYSA-N 418.563 1.987 30 10 HDEE C#CCN(C(=O)Cn1nc(C)n(C)c1=O)[C@H]1CCOc2ccc(Br)cc21 1360557230 RHJIQJGWAVAHFD-HNNXBMFYSA-N 419.279 1.638 30 10 HDEE COC(=O)[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1448174343 YMRYMFFLIWMAGZ-BDJLRTHQSA-N 421.500 1.596 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 1450153187 AKXUQHHZDJEYRZ-CYBMUJFWSA-N 400.416 1.046 30 10 HDEE Cc1nc([C@@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[nH]c1C 1455765592 QDIHNBQPNZPATF-HNNXBMFYSA-N 401.492 1.819 30 10 HDEE C#CCNC(=O)CN1CCN(c2ncc(Br)cc2C(F)(F)F)CC1 1458415080 NCGNOVPWHIIUJU-UHFFFAOYSA-N 405.218 1.734 30 10 HDEE C[C@@H](C(=O)Nc1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460824778 ROGRRMPKXYCYDP-MKBNYLNASA-N 412.309 1.646 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)CCn1cc(C#N)c(O)nc1=O 1468135727 LZNLBOAOMOHWPF-HNNXBMFYSA-N 419.482 1.507 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3ccccc3NC2=O)s1 1469665764 RKURFWSMPCFNLU-INIZCTEOSA-N 419.528 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccnc(-n3cncn3)c2)C1 1469728931 IZMCCEUPMPMSKS-CABCVRRESA-N 412.454 1.221 30 10 HDEE CCOC(=O)[C@]1(F)CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC12CCC2 1470045319 QFPOXJZAAXSLFX-LJQANCHMSA-N 423.466 1.120 30 10 HDEE N#Cc1ccc(OCC(=O)NCCNC(=O)c2cnccn2)cc1Br 1471361901 ZAMFIHJVHLUCFX-UHFFFAOYSA-N 404.224 1.036 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc4cc(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1472036202 STRWPQSCGDZGIH-ZBEGNZNMSA-N 408.277 1.941 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)c2)C1 1472246384 AKJHDKFCMPXKDQ-HUUCEWRRSA-N 406.504 1.182 30 10 HDEE Cn1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(-c2cccnc2)n1 1472618370 RCTYCGDFJRRHTP-UHFFFAOYSA-N 405.414 2.000 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2ccc(C#N)cc2F)CC1 1475308295 HELWAIBYELEZEX-RUZDIDTESA-N 402.469 1.162 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)cn1 1475477007 JTXBXKPQMMMXQF-UHFFFAOYSA-N 400.382 1.287 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)COCCO1 1499145567 JEDYRMOUVIREDI-NRFANRHFSA-N 414.485 1.983 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCn1cc(C)cn1 1503103350 CMGBPTINBIWUHF-UHFFFAOYSA-N 421.509 1.613 30 10 HDEE CN(C)CCOCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cccc(C#N)c1 1503403657 RCMJOUOTRYWQJR-UHFFFAOYSA-N 408.510 1.765 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(F)(F)C1 1505354091 MICHRTVXPGDJAY-MBUFOBGISA-N 422.436 1.892 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507541887 NBDQOTNKKGMVFL-JXFKEZNVSA-N 402.520 1.071 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnnn1CC1CC1 1507610751 MQZHIKIQUYFJJE-UHFFFAOYSA-N 408.466 1.477 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507627315 DHHPRIPZDBYKFW-DLBZAZTESA-N 406.483 1.556 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC(=O)NCCc1ccccc1 1507664780 GDXAKEAUZAAYAG-UHFFFAOYSA-N 413.485 1.557 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1508070601 ALTDKYMMGNKQTL-IRXDYDNUSA-N 406.531 1.772 30 10 HDEE CC(C)(Cn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1508712102 CZKHERPIOVQDIO-OAQYLSRUSA-N 413.501 1.817 30 10 HDEE Cc1c(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)cnn1C 1510498701 BHXSWGVVWVTBTJ-QGZVFWFLSA-N 408.422 1.672 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)n1 1511694441 BSNWJUQCKAYOQP-HXUWFJFHSA-N 423.456 1.124 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC(F)F)cc1 1521101544 CLDOJYGWUGIZPO-AWEZNQCLSA-N 420.420 1.670 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)C1=O 1530489583 DBQUDXWSPNPYGZ-HNNXBMFYSA-N 406.487 1.052 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 1534519678 LZQGLFVJVIGKQA-CVEARBPZSA-N 408.499 1.470 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cc1 1537090455 VUTHEIUOGVPKJF-UHFFFAOYSA-N 424.526 1.847 30 10 HDEE Cc1cc(C#N)cnc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1537806331 KPFSKNSEFXMDCU-HNNXBMFYSA-N 422.507 1.416 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccccc1N1CCOCC1 1539147647 IVENRNBVOMOGAD-SFHVURJKSA-N 413.522 1.956 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539215440 CAYPMXMKYYUMJY-OXQOHEQNSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OC(C)(C)O2 1539259167 ALQCQMUHMPTECV-INIZCTEOSA-N 405.458 1.858 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCO[C@H]1C 1539290326 DRVRXYFEXSOVGX-KKSFZXQISA-N 401.511 1.199 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCCC)nc1 1539369679 OAEVUPKZXLMHKG-QGZVFWFLSA-N 417.535 1.872 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)CC)CC1 1539512555 CUCUJWHCWWVQSX-KRWDZBQOSA-N 404.584 1.906 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1539902389 GHHGMIDRMLGULK-CQSZACIVSA-N 412.560 1.159 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1540867833 JLWACPNMPQTWBP-CALCHBBNSA-N 413.526 1.188 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1540868554 JDEYEKUCZLNPCN-UHFFFAOYSA-N 423.477 1.691 30 10 HDEE CC(C)OCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541756805 CYUWXDCFHXYQEP-GOSISDBHSA-N 415.542 1.392 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1544568907 NXVUTXLMPYWIPO-HUUCEWRRSA-N 401.529 1.223 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1=O 1547691359 NPQCTJAAQLCEFV-JOCHJYFZSA-N 421.505 1.354 30 10 HDEE CN(CCC(F)F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554255051 LQDSRODNVSARJH-OPGVCCBYSA-N 410.425 1.400 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCCC12OCCO2 1557575481 RRBQPOSEMYABPI-KRWDZBQOSA-N 421.519 1.697 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)c2C1 1557913966 BNLYUEOFWCLFEA-VGSWGCGISA-N 406.490 1.674 30 10 HDEE C=CCN(Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1560679487 PPDNGSLOXMFLBX-GFCCVEGCSA-N 423.354 1.272 30 10 HDEE C=CCC1(NS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CCOCC1 1561731058 PSENBTSIATVGAV-OAHLLOKOSA-N 404.529 1.667 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1562149767 MDKJUOBYIBIZRK-INIZCTEOSA-N 420.535 1.793 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H](c1ccc(C)o1)N1CCOCC1 1563535712 ILOPGCFXBSOGLN-KRWDZBQOSA-N 405.495 1.948 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2cnc3c(Cl)cnn3c2)c1 1569803268 LISKOBZOLOYMSC-UHFFFAOYSA-N 419.894 1.820 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1=O 1570032064 FAXAFVREIANQOY-FQEVSTJZSA-N 412.534 1.665 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1584303860 VLYLBBOLJBLXNU-UHFFFAOYSA-N 415.475 1.899 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1586025257 WHTHOQIWHMOMPI-CABCVRRESA-N 400.435 1.960 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(CC)ns2)CC1 1587843063 ZYKCUBBLXRFWIR-UHFFFAOYSA-N 411.539 1.833 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1587905286 ZVTCRNMQDTYARL-UHFFFAOYSA-N 418.523 1.108 30 10 HDEE C[C@H](C(=O)NC1(c2ccc(C#N)cc2)CCOCC1)N1C(=O)NC2(CCCC2)C1=O 1588013843 CBVRYDSMJDOVIQ-OAHLLOKOSA-N 410.474 1.933 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588055463 WBKMXGGZATXUAM-QZTJIDSGSA-N 423.583 1.139 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)OCCO3)s1 1588206093 SBLATKJDSAEWAD-UHFFFAOYSA-N 408.501 1.843 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC 1588550098 HWYUKSSIKFVCFX-QGZVFWFLSA-N 420.510 1.996 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1588646643 LLBLCPUIBFYAKE-HZPDHXFCSA-N 412.581 1.409 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CN(C)C)c2)CC1 1588805722 AXGJDRIETJXWJU-FQEVSTJZSA-N 421.549 1.094 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCC=CO2)CC1 1588930455 WNCKMVRZSPIKJW-RTBURBONSA-N 413.522 1.831 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1594783975 NFZJCLQHXKYYBF-UHFFFAOYSA-N 411.514 1.759 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC(C)(C)c2nc3cc(Cl)ccc3o2)C1=O 1596694778 XZQSNIHDZWJBLG-UHFFFAOYSA-N 404.810 1.809 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1603333035 NADSHVNQAOROHO-AMGRQBIBSA-N 402.499 1.476 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(N(C)C)CCC2)CCOC1 1610901266 COMNYFLQFQCFKJ-UTKZUKDTSA-N 418.542 1.532 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOC(C)(C)C 1611679569 YNKDKUIDSQNVPX-CQSZACIVSA-N 412.560 1.833 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1615957186 GGXPVQLHISDBNR-KRWDZBQOSA-N 415.473 1.653 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618129455 BDUPJDOUNGMSSG-LZICOFPGSA-N 423.477 1.339 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[C@H]2CCCS2(=O)=O)CC1 1618407315 RAOFECHJALQPQK-CYBMUJFWSA-N 404.448 1.422 30 10 HDEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1618965094 NPOPENGZONBZIS-LRDDRELGSA-N 418.395 1.810 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cc1 1619210349 BWTAHHXUGDGSGU-VQIMIIECSA-N 412.494 1.403 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnc2n1CCCCC2 1619967372 BQRLGXAANPAROC-JKSUJKDBSA-N 416.530 1.964 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CCOCC1 1624112783 BBRVLRSCAKPMPA-UHFFFAOYSA-N 411.911 1.883 30 10 HDEE CO[C@@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@H]1CCOC1 1624381571 WHLIYSWVGDMYMW-SCLBCKFNSA-N 401.442 1.566 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1)C1CSC1 1624604936 BTXNHBJRFAJKMY-CQSZACIVSA-N 419.503 1.577 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCCOC1 1624826816 PAFGNMFDJHPZMO-UWJYYQICSA-N 401.463 1.297 30 10 HDEE N#C[C@]12CN(C(=O)c3cnn(Cc4ccccc4)c3Cl)C[C@H]1CS(=O)(=O)C2 1627137256 UPZPWSVFUNDSSD-KBXCAEBGSA-N 404.879 1.595 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C(=O)OC 1629617560 SSYCFIGBOSMNQI-GOSISDBHSA-N 406.504 1.385 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccc(Cl)cc2)cc1 1632451060 OIZPSIXRYDWMSQ-FQEVSTJZSA-N 420.918 1.975 30 10 HDEE COC(=O)CCCOc1ccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)cc1 1633760945 KJUNBNHBSMBCDJ-UHFFFAOYSA-N 409.442 1.936 30 10 HDEE CN(C)[C@@H]1C[C@@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C12CCC2 1634106223 YFXWJEIBWQMBPW-KZNAEPCWSA-N 409.490 1.752 30 10 HDEE N#C[C@]12CN(C(=O)c3sccc3NC(=O)c3ccncc3)C[C@H]1CS(=O)(=O)C2 1636512589 LOZUUJHBRWBHHB-SCLBCKFNSA-N 416.484 1.406 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1637389317 GABGLCIIIZFOQC-IZCOPSDLSA-N 422.522 1.967 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1 1638074628 HZNDLJIRSGRQDT-SFHVURJKSA-N 404.942 1.912 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc2c(=O)[nH]ccn12 1638175130 SEHULCXEAPPFHM-WDEREUQCSA-N 410.862 1.631 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1640016243 TXMNLKNBEDXJGQ-UHFFFAOYSA-N 409.508 1.057 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)n1ccnc1 1642427042 JUCXNANANVCSQX-INIZCTEOSA-N 417.535 1.888 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCC2(C#N)CCC2)o1 1643011642 HQEQSLHMYWFQGP-ZDUSSCGKSA-N 409.464 1.419 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(CC(N)=O)C2CCOCC2)C1 1644585367 CNYNFLDFDLOFSU-UHFFFAOYSA-N 421.295 1.250 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)C1 1644638499 SOKOMYJEDUQRJO-XUVXKRRUSA-N 406.486 1.792 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CN(C(=O)OC(C)(C)C)C1 1648382952 WHTAJLFTFDJOLI-CQSZACIVSA-N 403.483 1.690 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1649540849 NFLVQBUELRNXPZ-UTKZUKDTSA-N 402.543 1.849 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1650974745 OICWZNNGJFNPAA-KLHDSHLOSA-N 416.540 1.100 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1ccc(F)cc1 1652034177 MPNVKSUIUHHPNC-DYVFJYSZSA-N 405.451 1.084 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1652172647 GOZBGCUKVRYYQR-CQSZACIVSA-N 415.968 1.768 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(c3ccc(C#N)cc3F)CC2)C1=O 1652420358 HETQVKMHPKOJNX-GOSISDBHSA-N 402.470 1.762 30 10 HDEE COC(=O)C[C@@H]1CCC[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1653955425 ZSMLSFUHJHHJEX-DZGCQCFKSA-N 407.492 1.353 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1654524176 VWADRNWQGRMDSW-ICSRJNTNSA-N 418.563 1.517 30 10 HDEE CCOc1ccccc1[C@@H](CC)NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889375 YAJCFBWRAWYYEZ-VPWXQRGCSA-N 405.520 1.523 30 10 HDEE COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656344633 XIPQOQOIRGGGCW-FHSNZYRGSA-N 411.911 1.854 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CCOCC1 1657027314 XZXUGHOGMGJAFA-UHFFFAOYSA-N 401.868 1.986 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CCS1(=O)=O 1663346798 BPRDRNQWDWKAJK-SNVBAGLBSA-N 407.311 1.518 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1668185092 VOMCYUUPEMBOKK-OVFHLDOESA-N 407.496 1.242 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2CC[C@@]21CNC(=O)OC(C)(C)C 1670882050 BPQKIHFJILHLBJ-KBXCAEBGSA-N 401.529 1.676 30 10 HDEE C#CC1(F)CN(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1672932018 OJLRFNBDEMZSHE-HNNXBMFYSA-N 407.511 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCCc3c(F)cc(F)cc32)CC1 1673162997 UJOKDFIQRLMJER-KRWDZBQOSA-N 412.462 1.137 30 10 HDEE COc1ccc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Br 1677900961 FFTPBFYJDQIBHB-UHFFFAOYSA-N 422.239 1.091 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1680490280 YCBZPIODIZCWMP-INIZCTEOSA-N 417.473 1.583 30 10 HDEE CC(C)(CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[C@H]1COCC12OCCO2 1681904666 FJHRBHLDWWJBKJ-GOSISDBHSA-N 401.463 1.747 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC3(C4(O)CCOCC4)CC3)CC2)c1C#N 1684258104 RCFBYMJJFMLNKX-UHFFFAOYSA-N 405.524 1.477 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1685976715 QRMBSIFOWFSDPO-KHYOSLBOSA-N 406.483 1.374 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCCC1=O 1689959822 OBHMXFWXDSRLIC-UHFFFAOYSA-N 401.474 1.975 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1689986187 KKNQLXSVEXXZRQ-QGZVFWFLSA-N 417.560 1.886 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689989386 FEKZKCVLVGZDQH-IKGGRYGDSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1690020157 ZSVQHQSPDYRKCM-GOSISDBHSA-N 417.579 1.375 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 1690122381 PGZUAIZTFDNLGU-UHFFFAOYSA-N 405.568 1.516 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1690154919 AHGUMDJXAWQKCK-CQSZACIVSA-N 414.491 1.291 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1690672316 OMFGZEZPMHZRSE-UHFFFAOYSA-N 415.542 1.788 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1690725639 XGQUGXRTTNRGCM-FUHWJXTLSA-N 407.584 1.894 30 10 HDEE CN(c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1696645936 PENDGGCRTHKXFT-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1697786339 MTCQJYDDWLDPTF-BHYGNILZSA-N 403.414 1.275 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705478428 BDOBWXFUPCSWPS-UZLBHIALSA-N 424.567 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@H]1C 1705486210 ZGLURGVPLARYAN-DLBZAZTESA-N 421.509 1.099 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1705494656 CYMNFJKVNBUNJZ-HOCLYGCPSA-N 423.564 1.373 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1705516677 GYXOMNWPTBXVAB-RCCFBDPRSA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1705603761 UWHGOHKVSRYTPY-SFHVURJKSA-N 402.543 1.330 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CC(C)(C)O 1705622729 RSCJDIOHGJVBPX-UHFFFAOYSA-N 410.316 1.903 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1705758010 HDGYQSODYDTPRS-GFCCVEGCSA-N 408.915 1.689 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOc2ncccc2F)CC1 1705763560 XYFWNQAFQLXPIQ-AWEZNQCLSA-N 424.502 1.658 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCOCC2)C1 1705914127 HHAMEMNXXJBRIP-KRWDZBQOSA-N 420.558 1.308 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706461510 CXYDVUKNFFODJF-IBGZPJMESA-N 420.539 1.589 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722333267 UISZFSTVKFGPOD-KSZLIROESA-N 423.583 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1Cc1cc(F)ccc1N1CCOCC1 1722427178 QMYKXRXGSGEDNL-UHFFFAOYSA-N 401.486 1.951 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS2)CC1 1722445676 AGLUEVMWVZMVIE-MRXNPFEDSA-N 411.535 1.597 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CO)CC1 1722529789 CMVKSQYLHAGIMF-UHFFFAOYSA-N 424.509 1.722 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722549207 GKBNMXUKHSAHII-LLVKDONJSA-N 417.823 1.936 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722553748 AJQDEYDHFYLIMU-YZVOILCLSA-N 409.918 1.926 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1722685822 OMDKXJVSRPDUJT-KGLIPLIRSA-N 422.511 1.451 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722740945 WIVPXIQLWFTMNR-IRXDYDNUSA-N 420.583 1.307 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)c2ccco2)n1 1725927121 FUVCLWITQRZIOM-AWEZNQCLSA-N 410.482 1.759 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)CCOC1 1729943278 DMLNYRJOYGLROI-QFIPXVFZSA-N 424.505 1.727 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(C#N)o1 1730831736 QSTPAMAGSCNLLU-CYBMUJFWSA-N 402.455 1.217 30 10 HDEE CCN(CCC#N)C(=O)CNC1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1734011566 USYAFGBQJOFLQC-ICFKBOKISA-N 402.539 1.531 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740686842 XICGNSKPJLYKBJ-XMTFNYHQSA-N 424.567 1.470 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1740730522 AXQXZWSZJZJZAI-MBOZVWFJSA-N 405.568 1.514 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CC2)CC1 1740831612 LJLPWGNFYUILIB-UHFFFAOYSA-N 407.540 1.494 30 10 HDEE C=CC[C@H](Cn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1740853414 CSHASQRFSORRBB-LJQANCHMSA-N 421.509 1.282 30 10 HDEE C=CCn1c(N2CCN(C(=O)CN(CC)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1740949797 SOEXLFNHHIQPPR-OAQYLSRUSA-N 420.558 1.107 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C2Cc3ccccc3C2)CC1 1740964571 QWWKXPURSMOGFG-UHFFFAOYSA-N 424.549 1.406 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCCN1CCOCC1 1742840996 HSSZXIFUQGRFKS-UHFFFAOYSA-N 423.565 1.893 30 10 HDEE CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1745879525 ZLFFVBMGVUFNCT-MSOLQXFVSA-N 423.521 1.638 30 10 HDEE C#CCC1(C(=O)NCC2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCCC2)CCOCC1 1746239656 GCBCTHSVISGZIG-LFDJNIOPSA-N 400.519 1.775 30 10 HDEE CN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1747636670 AZWJGLIOABDLOK-ZIAGYGMSSA-N 405.480 1.308 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccoc2)C[C@H]1O 1748332616 DEJDCSZUIMJCCR-QZTJIDSGSA-N 407.430 1.818 30 10 HDEE COC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1748358977 ADKSJNJCPVHJEA-UHFFFAOYSA-N 419.493 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1748637508 AYTKNONLIKKMKJ-AWEZNQCLSA-N 407.482 1.778 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)C1CCC1 1748646717 CLNRCAIGSVIYBS-IERDGZPVSA-N 403.527 1.695 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1748658854 YRZOURTYLDDRNH-HUUCEWRRSA-N 418.519 1.855 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748808141 ACJQKHOSBZBKRM-HZPDHXFCSA-N 419.526 1.661 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)N2CCCCC2)CC1 1749011069 ZWPPBMQVSGGQSP-UHFFFAOYSA-N 412.538 1.524 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCCS(C)(=O)=O 1749276185 TVXPPZGRSHCHQD-UHFFFAOYSA-N 400.936 1.763 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749672536 XFOQJYZBOUAMLI-MSOLQXFVSA-N 404.559 1.326 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)(C)C)C1 1749717672 OIAZGQHJHAPGQH-MRXNPFEDSA-N 418.542 1.487 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccco2)C1 1749721829 UWFVKLUHIJLTOH-HNNXBMFYSA-N 421.523 1.604 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(CC)C[C@H]1CCCO1 1749732289 UYRXWMIXOSNBNQ-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccn2)CC1 1749736001 XSNNUKBYTSJSHU-UHFFFAOYSA-N 419.555 1.194 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccccc1F 1751216239 BWYCKZVIMAVAIO-SJKOYZFVSA-N 410.450 1.518 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1760190926 WWIPGGPNKXGQMG-AEFFLSMTSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC(C)C 1760204672 YSGWMVPVGWNEQR-UHFFFAOYSA-N 413.547 1.578 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C2CC2)CC1 1760249058 VEGAMRREAWTEGC-SFHVURJKSA-N 400.527 1.190 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1760268331 QALVRQJGYCCEGY-SBUREZEXSA-N 422.533 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCSCC#C)CC1 1760270173 SUTDIKHAMUFWKT-QGZVFWFLSA-N 401.536 1.114 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1cc(OC)cc(OC)c1 1760521393 RIPRHUSJLVJCFP-INIZCTEOSA-N 414.466 1.317 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(N)=O)nc2)C1 1761544341 BDIYDNUQOIJEKF-JOCHJYFZSA-N 416.489 1.936 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@H]1C 1766563335 QVSFADHZPJATLU-HRAATJIYSA-N 415.494 1.741 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1770027950 HCDVYRKEJWJGSW-CYBMUJFWSA-N 422.445 1.787 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(C(N)=O)c1 1771112526 RJKPZKIPYFDMGN-GOSISDBHSA-N 412.494 1.686 30 10 HDEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCC)[C@H]1CCN(C)C1=O 1849244610 LGVVQRSTPUPUJJ-INIZCTEOSA-N 407.474 1.918 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#Cc3cnn(C)c3)CC2)cc1C 1850459131 FFFQIBCZEVMZLK-UHFFFAOYSA-N 414.531 1.606 30 10 HDEE CCc1nc(N2CCN(CC(=O)Nc3ccccc3C#N)CC2)c2c(n1)c(C)nn2C 1851129194 UICMRIRHWLELIL-UHFFFAOYSA-N 418.505 1.867 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1851843742 IARTVNJNCBULSB-UHFFFAOYSA-N 414.528 1.560 30 10 HDEE C[C@H](C(=O)NCCN1CCC(C#N)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1852708215 ICTJUQWNUGUNLR-GFCCVEGCSA-N 418.441 1.614 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1854123541 OYCPOULFRLTPCC-CVEARBPZSA-N 417.510 1.567 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccn(CC)c(=O)c2)C1=O)[C@@H]1CCN(C)C1=O 1854225053 RPNVTTGVZGHYTM-ZWKOTPCHSA-N 414.506 1.108 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@@H](F)C2CCCC2)C1=O 1854283919 QEZSGZLYRVEKAF-MSOLQXFVSA-N 414.485 1.515 30 10 HDEE CCOCC(=O)N1CCC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854368040 ZRKXAKFNXACORQ-GOSISDBHSA-N 404.511 1.015 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)C12CCCC2 1854396752 WQYDFAXFERZNDD-DLBZAZTESA-N 401.488 1.627 30 10 HDEE CCS(=O)(=O)C1CN([C@@H]2CCCCN(C(=O)c3ccc(C)c(C#N)c3)C2=O)C1 1854892955 IXCHWJAPDNKJRJ-GOSISDBHSA-N 403.504 1.507 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1OC 1854957963 RCQAZCQVQNRKQA-AEFFLSMTSA-N 414.506 1.755 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3noc4ccccc34)C(=O)C2)C1 1854966690 GFJFNQDJCFHTPU-DLBZAZTESA-N 409.490 1.808 30 10 HDEE COCCOc1cncc(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c1 1855075605 OZHZIHCLSFYYHZ-MJGOQNOKSA-N 412.490 1.864 30 10 HDEE CCOc1ccc(O[C@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855120660 DOIMGOKGUJUEPD-QZTJIDSGSA-N 414.506 1.511 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)C1=O 1856432096 HIEXHNSYVLIZLW-GOSISDBHSA-N 424.892 1.960 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@H](N(C)CCC#N)C2=O)c1 1856552442 HUKUAYZJUZKZBM-ZWKOTPCHSA-N 418.519 1.121 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H](F)CC(F)(F)F)C(=O)O2)CC1 1856672091 QSSJODAHVKVVME-MNOVXSKESA-N 415.365 1.190 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856719019 XLGBFGRFODWTQY-CQSZACIVSA-N 416.503 1.482 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1=O 1856904980 UZJDZJHKOKIUHM-IRXDYDNUSA-N 422.503 1.494 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)C1 1857171850 AJMXVURVDADKQY-SFHVURJKSA-N 412.490 1.986 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccccc1I 1861018309 ZQFYBPLGPUHJHQ-MFKMUULPSA-N 400.216 1.169 30 10 HDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN(CC)CC 1869933704 MVYCJIGYMKAKEV-CRAIPNDOSA-N 408.568 1.988 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2ccc(C(=O)OC)o2)cn1CCO 1870558872 NJNCYFUBPUWUOQ-UHFFFAOYSA-N 402.447 1.973 30 10 HDEE COCCc1nnc(S)n1/N=C/c1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 1873502380 JQFSOMADMPZHTD-DJKKODMXSA-N 419.463 1.923 30 10 HDEE C=CCn1c(C(=O)NCCNC(C)=O)cc2c(N(CCO)CCCC)ncnc21 1873595203 SMGJZJGVVHMFTM-UHFFFAOYSA-N 402.499 1.082 30 10 HDEE COc1ccc2ccccc2c1/C=N/n1c(CNC(C)=O)nnc1SCC(N)=O 1874432417 FDVZQIORKPOKOJ-LSFURLLWSA-N 412.475 1.536 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)CC1 1889338350 ZCEWAGHWIVSXNM-OAQYLSRUSA-N 411.546 1.496 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CCC(=O)N2c2ccccn2)CC1 1890094250 AFLTWODMNAWSGN-SFHVURJKSA-N 404.474 1.971 30 10 HDEE C[C@@H]1CCC(=NO)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025102 GMNFIWSYQDUBMG-XIKOKIGWSA-N 411.455 1.655 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 2118166579 FQJLUHWXMXHKHK-MRXNPFEDSA-N 401.510 1.660 30 10 HDEE C#CCN(CCS(=O)(=O)CCC(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1 2162694333 WULQHQCIBLYCRK-UHFFFAOYSA-N 402.513 1.211 30 10 HDEE CC1(C)OB(C2[C@@H]3CN(C(=O)CS[C@H]4CCS(=O)(=O)C4)C[C@@H]23)OC1(C)C 2163718833 PRZREVQUZKSHAX-YNEHKIRRSA-N 401.359 1.457 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC[C@@H]2CO)CCN(C(=O)OC(C)(C)C)CC1 2174805438 USFIQCKFILIWHU-OAHLLOKOSA-N 403.545 1.623 30 10 HDEE C=CCn1ncc(NCc2nnc(Br)n2C)c(Br)c1=O 2178002739 PZYUKVVWABFSLU-UHFFFAOYSA-N 404.066 1.695 30 10 HDEE COC(=O)NS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)cc1C 2202850154 SLZHLEXZOQBLRQ-UHFFFAOYSA-N 404.681 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2243379663 NLCRTCWLOSIRCS-ZNMIVQPWSA-N 408.304 1.402 30 10 HDEE Cn1nc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247817878 QZFCUOGVDSIJCD-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247831496 ZTNCNMJUGIIWSI-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2ccn(Cc3ccccc3)n2)n1 2255608568 NBKQBWIPTHBUNB-UHFFFAOYSA-N 422.298 1.289 30 10 HDEE Cc1nn(C)c(C(=O)NCC2CN(Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255829443 PHDMGOMKDCCKGJ-UHFFFAOYSA-N 424.354 1.890 30 10 HDEE C#CCN(C(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258168342 ITWQBZIQHWUOPA-INIZCTEOSA-N 410.492 1.518 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282004260 FJZUWPBDXFIYLT-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282319851 ABGAKXLIGMXTOG-CHWSQXEVSA-N 400.375 1.904 30 10 HDEE CN([C@H]1CCOC[C@@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282330278 XLDKVOAQHNAUCL-STQMWFEESA-N 405.322 1.795 30 10 HDEE CO[C@H]1CCOC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340219 CPWAMOIWKOEAQE-STQMWFEESA-N 403.331 1.130 30 10 HDEE COC[C@](C)(O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282423166 KXZNBJGNFJBHPA-MRXNPFEDSA-N 405.347 1.031 30 10 HDEE COC(OC)[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504978 XDNAFCDYOLDWQW-NSHDSACASA-N 405.347 1.474 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282675873 CWKBDSIXLFYXHR-PBHICJAKSA-N 402.300 1.994 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2OCC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282836954 AFMJEDWHLRRBPK-VXGBXAGGSA-N 405.322 1.761 30 10 HDEE COC(OC)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282846780 OJWOVSPWIKYBBW-SNVBAGLBSA-N 405.347 1.641 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@]3(C)CO)ccc2Cl)OC1(C)C 2282871703 KXQHEPFUFJVJLA-KRWDZBQOSA-N 401.721 1.785 30 10 HDEE C[C@H]1C[C@@]1(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399197 HKYOJTUZMACGQR-QFYYESIMSA-N 401.315 1.436 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284413515 LLLKHQWKDLXNQL-SNVBAGLBSA-N 404.319 1.115 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC[C@H]3N)c(Cl)c2)OC1(C)C 2287580455 RXIBRGWWJKTOEB-SMDDNHRTSA-N 400.737 1.655 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc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c2ccccc2C#N)CC1)c1ccccc1 15445368 JHUMRYBYDXPBPL-UHFFFAOYSA-N 412.515 1.918 30 10 HDEE Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)OCC(=O)N(C)CCC#N)c(C)c1C 23942758 QQEOLDJXHRHHQT-UHFFFAOYSA-N 423.535 1.812 30 10 HDEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1ccc3c(c1)OCCO3)CC2 72144469 NUGJFBYLLLGUIC-KRWDZBQOSA-N 416.474 1.932 30 10 HDEE CC(=O)NCCN/C=C1\C(=O)c2sccc2N(Cc2ccccc2)S1(=O)=O 105336198 PGSZLJGAODUENK-LFIBNONCSA-N 405.501 1.848 30 10 HDEE Cc1cc(-n2ncc(C#N)c2NC(=O)CCn2ccc(=O)[nH]c2=O)nc2ccccc12 170576421 FCZXILNUHUSPMT-UHFFFAOYSA-N 415.413 1.479 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1c(C#N)cnn1C1CCOCC1 427757631 AZTXECCRBYGUCX-UHFFFAOYSA-N 408.436 1.904 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)c(O)c1)c1ccc(S(C)(=O)=O)cc1 435980004 HTPODGBUFFNCOE-HXUWFJFHSA-N 416.455 1.876 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447672519 UTOKZJJXNOEOTP-OAQYLSRUSA-N 400.479 1.730 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@@H]1CCOC1 461557614 IAQXXNHDFUEISX-CVEARBPZSA-N 420.477 1.951 30 10 HDEE CC(C)(C)n1cnc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 461737098 MTKKUOWNCRWHOI-UHFFFAOYSA-N 402.480 1.051 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 486382985 UUONIABMXCDIDW-CZUORRHYSA-N 400.447 1.779 30 10 HDEE Cc1ncc(S(=O)(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)cc1C#N 489017996 FYSOXVGFNJDQOS-INIZCTEOSA-N 406.489 1.035 30 10 HDEE Cc1ncc(S(=O)(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)cc1C#N 489589898 WICSEVLWXJAOQP-UHFFFAOYSA-N 407.540 1.167 30 10 HDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489883991 LHWBZKXTMGIOIN-AWEZNQCLSA-N 414.553 1.332 30 10 HDEE CS(=O)(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 490609709 VSHAHSXULKTMLO-UHFFFAOYSA-N 419.528 1.614 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)cc(OC)cc1OC 490633026 SZAMDNWFKADWQR-LBPRGKRZSA-N 405.494 1.076 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F 503067124 XRCVFNRELMNFMF-VXGBXAGGSA-N 402.423 1.999 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2ncccc2C#N)CC1 505907981 WEXROLAXHVEVOD-UHFFFAOYSA-N 414.473 1.766 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 506355611 MKSFCSLHALEMFC-QFIPXVFZSA-N 420.554 1.651 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)Cn3c(O)nc4ccccc4c3=O)CC2)nc1 509912325 GQKSGACKIYLJPW-UHFFFAOYSA-N 419.441 1.875 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 515934087 ZEKNDNLBOZNJDD-UNMCSNQZSA-N 413.543 1.805 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 518571796 JRJDAFDOOBSSLC-VQIMIIECSA-N 415.490 1.968 30 10 HDEE N#CC1(CNC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@H]54)[C@H]23)CC1 520296887 AROWPXUHHLOKHM-JPDRSCFKSA-N 401.466 1.886 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)ccc1OC(F)F 522109939 IKXIEOJMVNYSMX-UHFFFAOYSA-N 420.437 1.929 30 10 HDEE COC(=O)c1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)oc1C 523305716 ZPWCPQKJLHIJET-UHFFFAOYSA-N 412.467 1.805 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)c2ncccc12 547446771 BZWLICDSYJDSEM-UHFFFAOYSA-N 416.441 1.797 30 10 HDEE Cc1nc2cccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2[nH]1 549023077 GKTKKWGNBNYNOM-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1C#N 561518727 BEYPWRHPQHUSOX-SNVBAGLBSA-N 407.311 1.376 30 10 HDEE N#Cc1cc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)ccc1F 561549421 HHYNGRDQALMTHP-LSDHHAIUSA-N 415.446 1.895 30 10 HDEE N#CCN1CCC(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 609330253 MXNFPDZAUCXSRO-UHFFFAOYSA-N 421.295 1.669 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 614902677 IZNMOTXDOCSSLY-INIZCTEOSA-N 412.511 1.826 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 728531248 FGMJTYRIPBEPSQ-UHFFFAOYSA-N 400.866 1.161 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N1CCN(Cc2nccn2C(F)F)CC1 728748545 ZCJILQPPEBACGX-UHFFFAOYSA-N 404.425 1.484 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccccc2OCC)C1)[C@H]1CCS(=O)(=O)C1 729332091 UUTBWHGWMWNAQB-CVEARBPZSA-N 404.488 1.087 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@@H]1CCS(=O)(=O)C1 729333229 SEDBNVKQZWTCGZ-GFCCVEGCSA-N 410.546 1.285 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OCC)cc1 730138300 LAGCHWMQWMGWNT-KRWDZBQOSA-N 402.520 1.718 30 10 HDEE CCOC(=O)COc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732415886 GBRCZELHZPJQFO-ISLYRVAYSA-N 402.407 1.276 30 10 HDEE CCC(=O)Nc1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732707935 JNLSPYNXIUIOHR-AWEZNQCLSA-N 403.870 1.826 30 10 HDEE N#Cc1ccc(C(=O)NS(=O)(=O)c2ccccc2I)cn1 734710911 FHTRSUSERGSJLT-UHFFFAOYSA-N 413.196 1.677 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(Cl)c2cccnc12 737304906 DEDIEFTZWOBBAY-WUKNDPDISA-N 413.821 1.469 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)NCc3cccc(C#N)c3)c2C)nn1 746552270 DNRGQJJHWJGUKS-UHFFFAOYSA-N 420.429 1.714 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(C(=O)Cc2cccc(F)c2)CC1 749102499 QPYPNUNTOSZEFT-UHFFFAOYSA-N 416.478 1.626 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 754071295 OSCSFAJLNOSLKA-MRXNPFEDSA-N 412.537 1.036 30 10 HDEE CCc1c(C(=O)OCc2cn3ccccc3c2C#N)cnc2c1c(=O)n(C)c(=O)n2C 754347045 MPBMWMYLHOCKGR-UHFFFAOYSA-N 417.425 1.676 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[C@@H](C)CS(C)(=O)=O 757983011 CJYZZARFLSAGBQ-VLIAUNLRSA-N 420.487 1.375 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)N(Cc4cccs4)C3=O)CC2)n1 760552277 PQLRLUPVTAQTPI-UHFFFAOYSA-N 410.459 1.085 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1 770486622 TVFQAFCPPXEUEM-RELWKKBWSA-N 420.535 1.693 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CCO)CCOCC1 779449141 LXNWFZIEYZDZNG-UHFFFAOYSA-N 423.535 1.333 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 780203233 AXZQROBYYYZOBJ-JOCHJYFZSA-N 423.469 1.283 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 781370809 HPHBANIUHXQVBP-DVEDPGPFSA-N 411.380 1.855 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2cn(C)nn2)cc1 783047883 UBVKRLDBKNPDOC-XLNRJJMWSA-N 419.511 1.730 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1 783099720 ZLJQLNJBNHFCOM-UHFFFAOYSA-N 423.491 1.698 30 10 HDEE CCOC(=O)C1=C(C(=O)C2CC2)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783805951 CGMBPTJNPCXZHL-JTQLQIEISA-N 413.297 1.498 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)n1 788854720 OLCYGILGZCLIOM-ROUUACIJSA-N 405.543 1.562 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(CC=C)CCCN2C(=O)OC(C)(C)C)CC1 790235408 WJYUIAWVHIQOSM-JOCHJYFZSA-N 420.554 1.779 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790655710 MMGLTRXTWYSBQH-IERDGZPVSA-N 417.510 1.987 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)OCc3ncccn3)nnc12 791252058 GYAYZRWPTVVJEY-UHFFFAOYSA-N 408.443 1.856 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(Cl)ccc1OC 792762824 JXKNWZCIGHDOAF-MRXNPFEDSA-N 422.938 1.981 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(CCNC(=O)OC)s2)C1=O 798465935 MQPSMEUBXCBYRW-CYBMUJFWSA-N 401.510 1.054 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1c(C)noc1C 800787405 BNPIZQOPHXSAHP-HNNXBMFYSA-N 410.500 1.038 30 10 HDEE CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801972733 BAINVAGCMBYIDW-HNNXBMFYSA-N 404.478 1.388 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)C1 802293317 YYTLPFMKEANISL-YYIAUSFCSA-N 422.526 1.612 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc4c(c3)OCCO4)n2C)n1 809825688 SCGNOKFKOFCSBM-UHFFFAOYSA-N 408.462 1.736 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1)c1ccc(F)cc1 812933664 JYPOZQJXACGJHM-APWZRJJASA-N 404.486 1.368 30 10 HDEE CCOc1ccc(NC(=O)CSc2nnc(NN=Cc3cccnc3)n2N)cc1 1084017592 SMJIBYIDHPEMID-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)c(F)c1 1132713714 AGKTXUCTFCNWCI-FQEVSTJZSA-N 402.426 1.251 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CSc1ccc(C#N)cc1)CCS2(=O)=O 1134859261 KYIGCYKWDTXGKM-HVEKOLDVSA-N 422.528 1.666 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCN(Cc2ccccc2)C1=O 1137537382 MZHDCKQLPCYWIV-SJLPKXTDSA-N 404.474 1.434 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2CCc3cc(Br)ccc32)c(=O)nc1O 1167527132 KMMZNPQOMZDIJH-CQSZACIVSA-N 403.236 1.429 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cnc(-c3ccccc3)s2)CC1 1187354064 VKERWSNTULLKMH-UHFFFAOYSA-N 418.544 1.256 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCC(N3CCS(=O)(=O)CC3)CC2)cc1 1211464401 QEZLMDIVNNNBFR-UHFFFAOYSA-N 412.577 1.689 30 10 HDEE C[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCN1c1ccncc1 1227631436 GPBFKDJGMMRGEO-DYESRHJHSA-N 418.501 1.974 30 10 HDEE C=C(C)COCCNC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1230243892 RXIOPZGHTYQAKM-INIZCTEOSA-N 412.531 1.642 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H]3CCOC3)C2=O)cc1 1234023147 FGJKDDFLBINUNP-HOJAQTOUSA-N 412.490 1.891 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCc2nc(C#N)cs2)C1=O 1235545430 OLBLXYGZCYUFAL-CYBMUJFWSA-N 407.496 1.537 30 10 HDEE C#CCN(C(=O)CN(C(=O)c1ccccc1)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1264995312 AYNIVRKYFLJZEH-HXUWFJFHSA-N 410.495 1.982 30 10 HDEE C#CCN(C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1264995810 SWCMFWSRNZIXFQ-AWEZNQCLSA-N 402.394 1.379 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286366863 FTYFUEVPSYJNEF-MRXNPFEDSA-N 424.530 1.844 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCn2ccnn2)CC1 1286484290 HRSKKNPZUGABNP-UHFFFAOYSA-N 420.521 1.603 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC=CCC2)CC1 1286485473 MUHKLHFRAFSFIH-SFHVURJKSA-N 424.549 1.836 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1286507890 GJCWQWOBPYXOTL-IBGZPJMESA-N 402.612 1.813 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286551227 GXDPNQFQQSHGQV-ICSRJNTNSA-N 402.543 1.312 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1286748943 GRGGKBWESSQLQC-GDBMZVCRSA-N 403.508 1.899 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1286786966 NFYXCEPMBTXJPC-UHFFFAOYSA-N 407.478 1.483 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)O1 1292300635 POZQHBKBFGTQTM-IDHHARJASA-N 424.571 1.976 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1ccco1 1294720613 BRQQGQPHQCBAAV-UHFFFAOYSA-N 414.491 1.791 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 1299463947 HPEVWKDCNWJHGU-QAHMESRPSA-N 412.530 1.678 30 10 HDEE COc1ccc(OCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1300323930 RRCXVLDWRZEZLQ-VQIMIIECSA-N 413.478 1.988 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1300601935 MDFLOEKRHICAJZ-MRXNPFEDSA-N 410.588 1.470 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)(C)C 1300672379 ZUURAYVLAPYAQZ-HOTGVXAUSA-N 412.556 1.327 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(C)(C)O 1300676023 KDARZJXXPONBLM-IYBDPMFKSA-N 421.542 1.906 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1300946246 TXGKOEQVGCXLTN-OAHLLOKOSA-N 400.483 1.887 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1301080996 YXPQLHNQZPWGHS-ZWKOTPCHSA-N 402.543 1.623 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301159001 SFYCDOPYAKFDJS-UHFFFAOYSA-N 420.558 1.590 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1301490701 CTBXEUCJXNXQHY-CQSZACIVSA-N 423.443 1.715 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301500544 NKCROTDNPSICSI-OPOADAIRSA-N 419.526 1.247 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301606381 OYMKZEDPPKIOCE-UHFFFAOYSA-N 422.580 1.731 30 10 HDEE CC1(C)OB(C2CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CC2)OC1(C)C 1303200311 JKAVVYFTKGTVIZ-UHFFFAOYSA-N 421.328 1.569 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCn1cnnn1 1306195101 WRSTWNZZYSTQOJ-UHFFFAOYSA-N 410.461 1.255 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1Cl 1308008433 LJAGEGKGWAWPML-MRXNPFEDSA-N 410.927 1.345 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OCC 1309389979 HYNLPSIEWIHHLO-LLVKDONJSA-N 417.285 1.586 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1)C1CSC1 1310290606 IRWVRXHGBVEOBL-UHFFFAOYSA-N 402.520 1.564 30 10 HDEE C#C[C@@](C)(CC)NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1310455766 IXHCWEHMEOEMKV-IBGZPJMESA-N 408.524 1.697 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 1312470429 VHJMOXJHYHXBEQ-KBPBESRZSA-N 415.450 1.690 30 10 HDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)cn1 1314903374 FRXICDDLCZMRAK-UHFFFAOYSA-N 409.519 1.752 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1316347183 CSOBCLADFJJGEL-MSOLQXFVSA-N 415.519 1.867 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1337636413 NVUPWIBBJOUIRG-AEFFLSMTSA-N 423.491 1.942 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C(C)C)cc1 1351735061 FDHVBVLDMFSLHJ-QGZVFWFLSA-N 410.478 1.820 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 1356276177 INGVIWCMMHBRBD-MASHWEEQSA-N 401.448 1.095 30 10 HDEE C#CCN(c1nnc(C)n1CCN(CC)CCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358957566 VZFCYYIILQQODD-HNNXBMFYSA-N 421.489 1.488 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CCOC 1358979437 MNLPYOAPZXFCEB-FQEVSTJZSA-N 409.490 1.442 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1358994343 KOGJEMLKYBOPNU-OAHLLOKOSA-N 414.478 1.315 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1359230949 JXNJNKJGPLFROU-CYBMUJFWSA-N 411.503 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1359328687 LMKXLCMPOMVHKV-CQSZACIVSA-N 416.507 1.118 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](CCSC)N1C(=O)c2ccccc2C1=O 1438604737 ZMJYPEOJNWECMY-HNNXBMFYSA-N 403.460 1.320 30 10 HDEE C[C@@]1(C#N)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 1439704528 ALHUAFXUFCSASP-KBXCAEBGSA-N 422.463 1.137 30 10 HDEE C#Cc1cncc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)c1 1447876753 VJQDFLDNEHTNPF-UHFFFAOYSA-N 405.439 1.857 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCc2ccc(C(=O)NO)cc2)CCCC1 1448504004 RPMMOUJMEDYPLF-UHFFFAOYSA-N 413.478 1.515 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1S(N)(=O)=O 1450189337 BRIZRSPFJQFGBE-HNNXBMFYSA-N 409.508 1.599 30 10 HDEE C=CCn1cc(CNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)nn1 1451882389 SPKLWGYESVTZMX-INIZCTEOSA-N 408.503 1.136 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4s3)CC2)cc1 1454253930 AOGXHQUPKQAKOV-RBUKOAKNSA-N 408.483 1.911 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2C(=O)NCC23CCOCC3)cc1B1OC(C)(C)C(C)(C)O1 1455647138 FCYXLNYXHKGWEB-QGZVFWFLSA-N 414.311 1.319 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2cc(Br)ccc2OC(F)F)c1=O 1459186987 MDVKXQKIEHERLH-UHFFFAOYSA-N 416.178 1.286 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)c1=O 1464015580 UDISSSJEUDYLJQ-CQSZACIVSA-N 404.220 1.778 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C#N)c2cc(OC)c(OC)c(OC)c2)C1 1464571998 FHXSSZICEDBDSQ-ZBFHGGJFSA-N 419.478 1.668 30 10 HDEE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@@H]1CCCN(O)C1=O 1468454498 VZJITSDPKFOGSK-QWHCGFSZSA-N 400.522 1.847 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1470074017 DWTYYNKDDLLWJY-MAUKXSAKSA-N 407.536 1.918 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)c1 1470213390 DFXAFIPTILVRAU-QFBILLFUSA-N 400.504 1.473 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cncc(OC)c3)CC2)cc1 1470768771 GCRGBPMVCAKKTA-UHFFFAOYSA-N 416.503 1.517 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1472437867 HBZHKYOESCQXOE-CQSZACIVSA-N 400.382 1.626 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](C(=O)OC)[C@@H]3CCOC3)ccc2c1=O 1472632950 BDAIHXBKYVPTHV-HIFRSBDPSA-N 417.487 1.427 30 10 HDEE C=C[C@@H]1OCC[C@H]1N[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1473479581 OOXASAKBBHAGDX-QRQLOZEOSA-N 407.536 1.150 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OC 1475577886 CKNRYBBXNDGHQL-LLVKDONJSA-N 423.260 1.473 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCc3cc(Cl)nnc3C2)C1 1478403971 ONRBKMHENNRDMD-QWHCGFSZSA-N 406.874 1.957 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@H]2OC)CCOC1 1502681385 HTLHFRODKCLVOP-ACZWYYKOSA-N 423.489 1.424 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1503837366 VWVWKEZLUDELFY-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1507513513 AGJPWGXQKMFFFS-OGNFBWPZSA-N 424.615 1.857 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1507623613 UTVKSMKOFQOBCT-CVEARBPZSA-N 409.556 1.191 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1507688167 XYTYADDCKSVGQF-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCNC(=O)OC(C)(C)C 1507711802 IFPUIJBUCWMNRX-UHFFFAOYSA-N 414.510 1.875 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1508085198 DTBBZCYOIWTKPR-QRTHJKPMSA-N 413.497 1.907 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCCNS(C)(=O)=O)C1 1508112517 PUCDFZIIDCLAQC-HNNXBMFYSA-N 406.512 1.061 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1517682674 MMRACKLMIMKQAB-QGZVFWFLSA-N 413.478 1.891 30 10 HDEE COCc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cc1 1518803043 HCUCVZYCZKIOGW-MAUKXSAKSA-N 417.535 1.971 30 10 HDEE CSC1(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CCN(C)CC1 1519882826 BXWXJFZHFWJZMZ-OAHLLOKOSA-N 407.588 1.982 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1520582714 GMCQTWLSLZAONL-BBRMVZONSA-N 413.293 1.787 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCN2CCCCC2)c1 1521082416 GADSBYMDWBROIY-UHFFFAOYSA-N 414.535 1.537 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(NS(C)(=O)=O)nc1 1528558396 FQEUTJOZXAWLOZ-UHFFFAOYSA-N 401.492 1.529 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2c(C(F)(F)F)cnn2C)ccc1F 1530223784 VICRKMBLBPNWCJ-UHFFFAOYSA-N 420.388 1.972 30 10 HDEE CC(C)(C)OC(=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1 1537827454 XMKVUSQWEVQAAA-UHFFFAOYSA-N 416.459 1.714 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1=O 1538451616 LUWXGDCEJHFEKB-LSDHHAIUSA-N 407.264 1.776 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1539013744 JRRVYKKNBCIEBB-YNEHKIRRSA-N 408.446 1.606 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539112100 IFNWFCMGZUCJMT-MRXNPFEDSA-N 402.524 1.691 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1539218853 ABRBVPUJWRCHKD-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1539428631 VEHOCHIGGBVLOR-OALUTQOASA-N 415.586 1.292 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539722492 OCQUJFORCWNJPE-LSDHHAIUSA-N 405.455 1.221 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539751786 UURJEFISIBHYLU-UXHICEINSA-N 419.570 1.923 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539881646 FCEYQSBXBDFBOQ-MRXNPFEDSA-N 404.540 1.957 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1539902594 KYVLIWARSZAQPV-GJZGRUSLSA-N 415.560 1.342 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO)C1CC1 1540092487 KKRHPHZVTQFZSQ-GOSISDBHSA-N 402.543 1.516 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1540164299 LRIZTCAAGOWLAN-AWEZNQCLSA-N 419.507 1.619 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540868683 NPSKMXDAYPTGCZ-GJZGRUSLSA-N 420.539 1.209 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540907790 IQRKSWUXOWCBGS-OKILXGFUSA-N 402.480 1.406 30 10 HDEE CC(C)NC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1541704127 LGLPOEQVHAALFN-QGZVFWFLSA-N 424.509 1.247 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cs1 1542925898 KDWOVLBFRNACKG-JKSUJKDBSA-N 404.496 1.168 30 10 HDEE Cc1cc(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)n(C)n1 1543000343 BPAKPSSSJAVXID-UHFFFAOYSA-N 418.505 1.999 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1547526062 BQXGBJIZLPPTLW-UHFFFAOYSA-N 413.507 1.621 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@H]2COCCO2)c1 1555988099 XCKWHEMPFKJFBA-MJGOQNOKSA-N 424.505 1.714 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C2CCC2)CCO1 1555994562 XUONUBYVQIZGBV-IRXDYDNUSA-N 402.499 1.207 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)cc1 1556381934 NUXPDAFODSCAEB-FQEVSTJZSA-N 418.453 1.858 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1558078393 SQOIQOPAJITAHU-MRXNPFEDSA-N 421.519 1.525 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C)C[C@H]2CO)n(Cc2ccc(F)cc2)c1C 1560011152 BJKVZXSNVJYVQE-IBGZPJMESA-N 413.497 1.711 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1564957903 ICSBBQSWCFZVLH-FPOVZHCZSA-N 412.534 1.884 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1567287539 AJDYOIMDYOSJGJ-GOSISDBHSA-N 408.524 1.178 30 10 HDEE Cc1c(I)cccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1567445480 JRFCIJHMSAOXGV-UHFFFAOYSA-N 410.171 1.372 30 10 HDEE COC(=O)CCN1CCN(C(=O)COc2ccc(C#N)c(Br)c2)[C@@H](C)C1 1583696612 BDOKSXQXNRNLGU-ZDUSSCGKSA-N 424.295 1.795 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(I)ccc1-n1cnnn1 1587392206 KFBRLIBUZYHNNG-NSHDSACASA-N 411.203 1.035 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2ncccc2C#N)CC1 1587691188 PJZKUZINGOMNSP-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1ccccc1 1588171045 SDYJNHVMTDYHDF-LEDOBFOHSA-N 408.502 1.983 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN(C)S(=O)(=O)CC 1588229057 QGFDHJSMUFAHAZ-GOSISDBHSA-N 421.567 1.307 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1595218481 LLTUZLXRGRGCBC-LBPRGKRZSA-N 421.445 1.037 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595544973 OTEBARPLTAVOEV-YESZJQIVSA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1595784858 LQFXDAYTAMRDDG-GDBMZVCRSA-N 408.528 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1 1595812402 RYRRGXHGFQUDSB-HXUWFJFHSA-N 414.535 1.995 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595838480 UOWNMSKADLXYPN-ZIAGYGMSSA-N 407.496 1.547 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H](C)C#N 1596830657 CYWHGLDYVNMBJR-OAHLLOKOSA-N 405.528 1.188 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1611292312 MPZOMADEPMGMGJ-VLIAUNLRSA-N 420.481 1.137 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCOCC1 1614028953 UWUQYWZWEHMTTI-UHFFFAOYSA-N 411.510 1.365 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)s1 1616198249 HUPRYABJXLKMBW-LBPRGKRZSA-N 417.553 1.784 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccccc2CNC(=O)OC(C)(C)C)C1=O 1617355444 OUOIWLMGVSYGRX-UHFFFAOYSA-N 416.434 1.627 30 10 HDEE CO[C@@]1(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOC1 1619048705 WAVGTJSVCPMSKJ-OAQYLSRUSA-N 411.510 1.800 30 10 HDEE C=CCC[C@@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OCC 1624304008 PHKJINVMKNWTPX-SECBINFHSA-N 401.349 1.340 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1625082880 VSKZKCYHZMMDPI-UWVGGRQHSA-N 407.901 1.051 30 10 HDEE C[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1C(=O)OC(C)(C)C 1627433830 NGNFZTFRTUMEIF-PBHICJAKSA-N 421.519 1.663 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1ccc(OCCOCCOC)c(Br)c1 1627881435 CBMBFYJSLDIWJH-LBPRGKRZSA-N 401.257 1.607 30 10 HDEE COC[C@H](CCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)OC 1629242737 NGGRHPPCCMNYJI-GOEBONIOSA-N 411.524 1.308 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@H](O)COc1ccccc1Br 1629782899 DWWCDZSRNQIBCC-LBPRGKRZSA-N 406.236 1.900 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)CC)ccc2Br)CC1 1630039539 XVASYULGYRCJER-UHFFFAOYSA-N 400.294 1.843 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 1631129874 LXTAAIAQWJCMTR-SUMWQHHRSA-N 422.434 1.681 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1633934352 WHUBZXMOQHEETH-DODVFSASSA-N 409.529 1.569 30 10 HDEE C=CCOC[C@@H](NC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1)C(=O)OC 1635158981 PVOLSSVOSRVFKB-CQSZACIVSA-N 406.464 1.103 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2nc(COC)nn2C1 1635643143 NXDPACNGAQNDMD-STQMWFEESA-N 413.906 1.891 30 10 HDEE CN(C1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1)S(C)(=O)=O 1637449148 DNGAALFHJPEGBI-UHFFFAOYSA-N 419.551 1.592 30 10 HDEE C=CC1(CC(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CN(C(=O)OC(C)(C)C)C1 1638175164 SVENPSUJRGATMN-GFCCVEGCSA-N 402.455 1.408 30 10 HDEE C#CC[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1638831612 CEJZUTQWLATLGV-CYBMUJFWSA-N 402.266 1.294 30 10 HDEE NC(=O)C1CCN(Cc2ccc(CNC(=O)c3cccc(C#CCO)c3)cc2)CC1 1639197599 XJKOZYXGKVLOEQ-UHFFFAOYSA-N 405.498 1.658 30 10 HDEE O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCC(F)(C(F)(F)F)C(F)(F)F 1641763067 PIWCHRGJERCEBK-ZXZZCXTASA-N 420.281 1.488 30 10 HDEE C=C[C@H](C)ONC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1644296440 PJAPJWGODUADTH-JTQLQIEISA-N 410.386 1.666 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)c(F)cc3O)C[C@H]1CS(=O)(=O)C2 1645270111 OYDJYYLDLXPHBK-RTHLEPHNSA-N 403.229 1.304 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1c[nH]cc(I)c1=O 1645566970 UYEDISUITWIFGX-UHFFFAOYSA-N 408.151 1.698 30 10 HDEE C#CCN(CC(=O)N1CCN(c2cccc3nc(O)[nH]c23)CC1)C(=O)OC(C)(C)C 1646187065 MISUEAJKBNCXPQ-UHFFFAOYSA-N 413.478 1.787 30 10 HDEE C[C@@H]1COCCN1CCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1649562383 CURLXPXGMATYFV-DYESRHJHSA-N 415.542 1.251 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 1651805250 FHVGAXRSQYNAKK-MRXNPFEDSA-N 415.881 1.650 30 10 HDEE N#Cc1cnc(N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(Br)c1 1652297211 MIAVBALYNDKFSR-VTWZXRTESA-N 413.297 1.339 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC(O)(COCCO)CC1 1654835095 XXWJROROXIGGAV-MRXNPFEDSA-N 407.536 1.713 30 10 HDEE C[C@@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)C1 1654944499 OFYCXZAVCGQZBU-GOSISDBHSA-N 417.550 1.821 30 10 HDEE C#CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)C1CSC1 1655021153 NFFZEQOBXQCZLS-UHFFFAOYSA-N 411.487 1.505 30 10 HDEE C#CC1(O)CN(Cc2ccc(Br)cc2SCCS(C)(=O)=O)C1 1659040646 ZIVIWPLCTDLKAY-UHFFFAOYSA-N 404.351 1.766 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)ccc1C 1659321684 DSGHQUNRZJPOMQ-SFHVURJKSA-N 416.503 1.379 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)OC 1662441278 QMGJIBBJUFEDGR-TZMCWYRMSA-N 401.868 1.599 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCN(CCC#N)CC1 1665599180 YCBQJIYKSFPVFB-UHFFFAOYSA-N 418.519 1.170 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 1674596687 GZOVCFQCXHWVLE-OALUTQOASA-N 420.554 1.751 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3cnc(Cl)cn3)CC2)cc1 1684871739 ATKUVIYLBCTQEC-UHFFFAOYSA-N 420.882 1.218 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1689873273 COYFZLRMGWYRBC-UHFFFAOYSA-N 400.527 1.622 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1689937441 ZXJWWGSYVMEQDG-GOSISDBHSA-N 414.554 1.947 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690236383 MBSYHGSETBZLMJ-BBWFWOEESA-N 411.572 1.901 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(C)=O)C1CC1 1690541124 OMEXUPKVPHBGKT-UHFFFAOYSA-N 407.482 1.602 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(C(=O)NCC)CCC1)C1CC1 1690548816 PEBRVKBLMZGIGQ-UHFFFAOYSA-N 400.527 1.862 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690673704 AYQPPQZKMBXCHB-IERDGZPVSA-N 403.527 1.697 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1690677198 QPQBXAWBENPKEM-GJZGRUSLSA-N 422.530 1.466 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(F)c2)C1 1690686425 NTEMYOPZUPUEBI-PBHICJAKSA-N 423.514 1.857 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1693063502 GOOVFTIKXHYKKE-XOBRGWDASA-N 411.466 1.965 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1705475547 MPRXJLGBQYWMJK-MRXNPFEDSA-N 409.490 1.986 30 10 HDEE C#CCCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705521382 AHQINKLAKFNNDG-GHTZIAJQSA-N 419.526 1.075 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1705542410 FYVPJMYDHCBMEB-SIKLNZKXSA-N 419.570 1.745 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705567110 UFSLNLVQKDBNLN-XLIONFOSSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(F)(F)Br 1705574662 JVYGDHZXVVEOIQ-OAHLLOKOSA-N 417.254 1.991 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@H]1C 1705630264 MFPGDIILTFTXKN-APWZRJJASA-N 400.527 1.898 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1 1705884140 HMIWVPNEOFFHBF-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1705903964 AOLFHAQERNHUBP-UHFFFAOYSA-N 417.558 1.553 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2cncn2)C1 1705929922 ALZVXNPEYRJVOJ-HZPDHXFCSA-N 407.544 1.825 30 10 HDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)cn1 1711253836 ANUDPRIRJWJGRV-LJQANCHMSA-N 402.462 1.912 30 10 HDEE COCCN1CCN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CC1=O 1712486273 HNLCQTLEFANZRQ-UHFFFAOYSA-N 406.446 1.753 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CC1 1712704654 MYDNOZLOKRUOAJ-MRXNPFEDSA-N 420.495 1.114 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1712887414 GHEPUEQCLCMHMR-CVEARBPZSA-N 415.498 1.290 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1722362621 QWJIPJXHLVQAJO-OAHLLOKOSA-N 406.483 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)CC 1722382407 CBVMGNNBZZFPCB-UHFFFAOYSA-N 421.473 1.159 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCNC(=O)c1ccccc1F 1722384597 YEWSRTMMTLGXJD-UHFFFAOYSA-N 416.460 1.906 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CCN1CCCS1(=O)=O 1722426085 XYUUUQPILDSHPA-UHFFFAOYSA-N 409.556 1.132 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(F)(F)F)CC1 1722440372 IEDAOSNHRTWLAZ-UHFFFAOYSA-N 412.460 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(F)CCC2)CC1 1722447304 HJAMAAQVOLWZAD-INIZCTEOSA-N 416.501 1.477 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1722636933 NUHJQTDEOJBVFA-UHFFFAOYSA-N 401.492 1.379 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)NC)c1)C1CC1 1722649451 QNPYELLUEHPIRJ-GOSISDBHSA-N 408.506 1.986 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1-n1cccn1 1722677978 QOYGRMVUBOTWIM-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1722863744 MIBLUWLRVBLZBH-HUUCEWRRSA-N 424.571 1.691 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@@H]2CCOC2)cn1 1729569136 KCBQUEMZAHRELJ-KXBFYZLASA-N 403.462 1.564 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCC1=O 1730844752 UBYFBMYUGMAIRU-OXJNMPFZSA-N 422.505 1.847 30 10 HDEE C=CCC1(C(=O)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1737428163 PRUGWZPLWUVOFW-PHUPPTAPSA-N 400.519 1.985 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740586746 LWNADQWODQQUNL-INIZCTEOSA-N 410.478 1.590 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCOCC1 1740607167 GSVNJMIUZDYOMT-SFHVURJKSA-N 405.506 1.921 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCCN1CCC[C@H]1CO 1740612306 MXQWTKHMFILEEO-SFHVURJKSA-N 402.568 1.940 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C 1740643760 NJTRZNKQHBUXSH-IBGZPJMESA-N 423.517 1.659 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1740662219 PUNYIKRBYXUBLB-ABSDTBQOSA-N 424.615 1.858 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)no2)CC1 1740700860 LEPOFVUUVZREGM-WMZOPIPTSA-N 400.483 1.102 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1740788912 ZBGGYCPPMZHXPJ-HNNXBMFYSA-N 410.544 1.611 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740878157 SGSJGRYFPLFDRC-LJQANCHMSA-N 423.521 1.997 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)N2CCOCC2)C1 1740982491 WFIYRSFJLZLIQE-ICSRJNTNSA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740991323 TYGNBXXSLXIFDR-QGZVFWFLSA-N 404.540 1.323 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C(C)C 1740992056 LXAUWCIZDMCULM-CQSZACIVSA-N 404.558 1.016 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(C2CC2)nnc1N1CCO[C@H](C#N)C1 1747602486 IDPJSTCZDBCQGY-MRXNPFEDSA-N 416.507 1.183 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCS1 1749489272 SUAYNHDSKQUXFW-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CN(C)C1=O 1749598240 UHQZCWSAKFWUBH-FQEVSTJZSA-N 416.482 1.123 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CC)[C@H](C)C1 1749676252 JVNIYXYFFKTDOM-MRXNPFEDSA-N 400.502 1.841 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1760144422 OKKVHGQKXAOOPG-IEBWSBKVSA-N 416.570 1.767 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C2OCCO2)c1)[C@@H]1CCS(=O)(=O)C1 1760181412 VBJNSJAUJFGZKM-GOSISDBHSA-N 416.503 1.307 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc2c1OCCCO2)[C@@H]1CCS(=O)(=O)C1 1760181661 ZKUDRGSREMMOFI-QGZVFWFLSA-N 416.503 1.423 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCO[C@H](Cn2cccn2)C1 1760327425 GZVPYPAFEDCWPN-HBFSDRIKSA-N 416.526 1.898 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCSC1 1760505754 IKWAJZUCIPHIQS-LJQANCHMSA-N 406.556 1.647 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@H](C(=O)OC)C1 1760517065 BGLSNLOOAVFDFV-OAHLLOKOSA-N 409.446 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1760518465 AHLBIKGDEWPSCO-ZWKOTPCHSA-N 408.506 1.525 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OCC)CC1 1760521310 PLXQMIALRNADIW-UHFFFAOYSA-N 413.482 1.229 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@](C)(OC)C1 1760552141 DERVZZBUUTWJRH-IBGZPJMESA-N 405.524 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCSC(C)(C)C1 1760556006 SELVFKXZBBHXSC-CYBMUJFWSA-N 413.569 1.162 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC(=O)N1C 1763089295 IYVDYQXRYWCVOD-CYBMUJFWSA-N 404.421 1.765 30 10 HDEE CCC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765651722 FTPWVOAQRLUJFL-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCC(COc3ncccc3C#N)CC1)CC2 1850738598 CUDDUKUMOHZFDT-INIZCTEOSA-N 407.474 1.469 30 10 HDEE CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C#N)cn1 1851486845 CIXFSVPHHLQZFJ-OAHLLOKOSA-N 406.851 1.797 30 10 HDEE O=C1c2ccccc2CN1CC(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851538343 VSMVNWRHKBZYQF-UHFFFAOYSA-N 403.382 1.903 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OCCN3CCNC(=O)C3)cc2)c1C(F)(F)F 1852652845 IBYYYROZGUELRN-UHFFFAOYSA-N 407.352 1.351 30 10 HDEE COc1cccc2c1OC[C@H](C(=O)OCCN1CCN(c3ncccc3C#N)CC1)C2 1852657853 WFYXEMPDRRFJPC-LJQANCHMSA-N 422.485 1.878 30 10 HDEE COc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)ncc1Br 1852789340 IHJHLQPBLFNDGV-UHFFFAOYSA-N 403.240 1.477 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cn1 1853388733 RERYZFMAEIVGTO-INIZCTEOSA-N 406.895 1.395 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccsc2)CC1 1853547324 GDHUTXQXNPKBDW-UHFFFAOYSA-N 412.581 1.702 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(OC)ccn2)C1=O 1854301352 HQIGWIHFEPGLNV-QZTJIDSGSA-N 400.479 1.330 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2=O)cc1 1854467635 DDXFKIBNYXGHNZ-INIZCTEOSA-N 422.407 1.325 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1855507167 HVSUZFPCOUTJID-MRXNPFEDSA-N 409.483 1.226 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(CCc3cc(C)on3)c3ccccc32)CC1=O 1855770702 LXHNKCXZZJESHJ-INIZCTEOSA-N 408.458 1.940 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(OC)c(F)c3)C(C)(C)C2=O)CC1=O 1856153506 IACJDQMVEJEOCO-MRXNPFEDSA-N 417.481 1.818 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@H]4CCCO4)C(=O)C3)C2)s1 1856277925 CDXNODMGWPYSEP-JKSUJKDBSA-N 402.520 1.434 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856531809 LVCWYZHXYDBCHX-WMZOPIPTSA-N 404.474 1.849 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CCC2=O)CC1 1856963496 UNNPRWNFTJJCAO-QGZVFWFLSA-N 424.567 1.049 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)n1 1857117149 MWKPRZGDAXAQFB-PKOBYXMFSA-N 412.490 1.598 30 10 HDEE Cc1cnc(N(C)[C@H]2CCN([C@@H]3CCN(C(=O)c4cccc(C#N)c4)C3=O)C2)nc1 1857155972 KYKUKTLXWXFUGT-RBUKOAKNSA-N 404.474 1.609 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3ccccc3-n3cnnn3)C1)CC2 1857198342 HFOKBGBDVOHRMC-JKSUJKDBSA-N 405.462 1.277 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 1857238794 ZOEUYGBFOIULJU-QGZVFWFLSA-N 409.490 1.455 30 10 HDEE COc1ccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858336553 UBCHGBCAQZIECL-INIZCTEOSA-N 415.471 1.768 30 10 HDEE C=CCn1cc(OCC(=O)N(C)CCCC)c(=O)cc1CN1CCN(CC)CC1 1870514755 FWHRHNNPNDMCCE-UHFFFAOYSA-N 404.555 1.809 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCCCOC(C)C)ncnc21 1875228712 AKZWFFPSHUYTAX-UHFFFAOYSA-N 405.499 1.271 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C(C)C)cc1 1889195972 XPNJBCNBGYZVLA-VQTJNVASSA-N 403.548 1.770 30 10 HDEE COc1cccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889605922 WWSBSALMKDZDQV-UHFFFAOYSA-N 421.563 1.116 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(Cn3ccnn3)C2)[C@H]1c1ccc(C#N)cc1 1892114937 QIHRECIAVGUOKZ-UXHICEINSA-N 424.530 1.702 30 10 HDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)N2CCS(=O)(=O)CC2)CC1 1892243801 ZXWVYFCCHQTGBE-UHFFFAOYSA-N 420.516 1.748 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2054402135 ALKWDOUXWUWWFJ-ZWKOTPCHSA-N 406.508 1.810 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCN(S(C)(=O)=O)C1 2235431763 VVDHAOPVCPCHLI-ZDUSSCGKSA-N 400.375 1.513 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241480840 ONIHZZUTLIFFLQ-OLZOCXBDSA-N 402.322 1.759 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243328411 QEDDRRAGXDIMLG-CQSZACIVSA-N 407.320 1.703 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675270 UEXYSMPOGRUSPG-OAHLLOKOSA-N 408.304 1.621 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2cc(Br)nn2)C1 2255191946 IGHNPZUPLXAOLD-UHFFFAOYSA-N 412.288 1.464 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2258157821 GCAFUQRMOSLBDI-AWEZNQCLSA-N 404.404 1.075 30 10 HDEE COC[C@@H](CF)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703904 DQONOMFUNRQJQY-SECBINFHSA-N 413.729 1.964 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H](C)CCS(C)(=O)=O 2281944781 FGNPJWPELONXST-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2282029506 SVBIQEZRCRYGFS-RYUDHWBXSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(N)CCOC3)cc2Cl)OC1(C)C 2282307370 AZLWOLKUYUBMJN-OAHLLOKOSA-N 422.765 1.097 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1C 2282328789 CSNZAQASEFZYKD-GXTWGEPZSA-N 400.375 1.808 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C 2282334128 XPUAJYWHMDNBRL-RWMBFGLXSA-N 400.375 1.807 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](C(F)F)CC2=O)OC1(C)C 2282334900 HYEUWXBEFRIVMI-VIFPVBQESA-N 407.269 1.850 30 10 HDEE CO[C@H]1CC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495293 KKJJTZBPXFIXHO-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE CNC1(CNS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 2282501783 BRMJVSRDHTWVSS-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3[C@@H](C2=O)C3(F)F)OC1(C)C 2282502734 PCKDSJDZMVQPRR-KWQFWETISA-N 405.253 1.460 30 10 HDEE CC[C@@]1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282511376 LWIRREVOAWAXKT-MRXNPFEDSA-N 402.347 1.431 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@](C)(O)C1 2282827076 WMOYMRAWQYDINM-PXAZEXFGSA-N 401.359 1.938 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@]2(F)CCOC2)sc1B1OC(C)(C)C(C)(C)O1 2282844164 YZTWBDULLIQKIY-MRXNPFEDSA-N 405.322 1.763 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282851926 JEWKRBZOPIGFJO-KRWDZBQOSA-N 401.359 1.378 30 10 HDEE CC(C)[C@H](C)[C@@H](N)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282855683 IEXOGBDUZNUNOT-STQMWFEESA-N 402.391 1.945 30 10 HDEE C[C@H]1C[C@@H](O)[C@H](C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282868454 NJJFUUWZNWDHCL-FRRDWIJNSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCC[C@@H]2N)OC1(C)C 2282874497 BFLBARQJFXYWPK-OCCSQVGLSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)Nc2ncc(C(=O)O)o2)OC1(C)C 2284407544 MJZYIEVBMPSHCY-UHFFFAOYSA-N 400.243 1.534 30 10 HDEE CO[C@@H]1[C@@H](O)C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2286749996 SKPGXTRPDINXIZ-SCVCMEIPSA-N 423.749 1.127 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccnc2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296938645 GUDFBNINGRTIND-KRWDZBQOSA-N 413.386 1.420 30 10 HDEE COC(=O)CSc1nncn1N=Cc1cc(Br)cc(OC)c1O 2321295868 XJDHVDMWBCOIRN-UHFFFAOYSA-N 401.242 1.902 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365213943 XEESAVFTMRXEOJ-MMMWYMCRSA-N 400.541 1.291 30 10 HDEE N[C@@H](C#Cc1cnn(C2CC2)c1)[C@@H](O)c1ncc(I)s1 2366131017 OEUSRVRKILNUSD-CMPLNLGQSA-N 400.245 1.692 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367806482 KWRNCKSFMJEPCO-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 16893827 UOHJUOHQPKUZHR-CQSZACIVSA-N 423.882 1.716 30 10 HDEE C#CCOC[C@@H](O)CN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)C(C)C 36207543 RDEACWVUYRAEOF-ZDUSSCGKSA-N 407.492 1.301 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 47101561 RUZVCNJNOOSCRF-MRXNPFEDSA-N 409.469 1.988 30 10 HDEE Cc1nc2c(C)cccn2c1C(=O)NCCCC(=O)Nc1[nH]nc(CC#N)c1C#N 71538076 JQYXIPOWXSARAX-UHFFFAOYSA-N 404.434 1.761 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](OC(C)=O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]12 100062440 XYPJAWWDSQFSQA-KIYBJAAISA-N 420.458 1.525 30 10 HDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@@](CCSC)(C(=O)O)N[C@H]2c1ccccc1C 248107738 RCXPRSNXFVMIIU-DLRJPAPCSA-N 400.500 1.840 30 10 HDEE CCOC(=O)C(C#N)=NNc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1 252462276 REQKGKIXYHKQCJ-UHFFFAOYSA-N 402.436 1.749 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cccnn3)CC2)cc1Br 433063476 YBOJBHTTZYJYPD-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 437477352 TXVITBHOGHPXIM-ZKXLYKBJSA-N 412.552 1.194 30 10 HDEE COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443329077 LDWDMWYTTZBXIW-UHFFFAOYSA-N 407.492 1.491 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(c3ncccn3)CC2)CC1 446627198 FFMKZISEHJDYPD-UHFFFAOYSA-N 407.478 1.965 30 10 HDEE Cc1cc(NC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)nn1CCC#N 479054998 YRDALWAEHZJINR-HNNXBMFYSA-N 402.480 1.690 30 10 HDEE Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 479068445 XJSIINDZKZBSPJ-FQEVSTJZSA-N 418.501 1.894 30 10 HDEE N#CC1(NC(=O)CNS(=O)(=O)c2cccs2)CCN(Cc2ccccc2)CC1 482699924 ZGMVSNMCRAWOFO-UHFFFAOYSA-N 418.544 1.701 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 483481553 YDXYRXGXDABHOD-GDBMZVCRSA-N 414.491 1.953 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)n1 501218165 SVMBEQTUTGTZBX-OAHLLOKOSA-N 404.434 1.531 30 10 HDEE COCCN(Cc1ccc(C#N)cc1OC)c1c(O)nc(=O)n(CC(C)C)c1N 501220229 ZAZTXHLLGYYXKJ-UHFFFAOYSA-N 401.467 1.720 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)cn1C 501882973 VTIFXUFEIKEMSX-LJQANCHMSA-N 415.519 1.298 30 10 HDEE C[C@@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503644173 PQEZGQGHHVVKNL-MRXNPFEDSA-N 418.519 1.448 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3c3ccccc3)n2C)CC1 508674159 FZNXVRJHFJQDRJ-ICSRJNTNSA-N 410.522 1.485 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H](C)C1CCN(CC(F)(F)F)CC1 509271987 WTGCZZSBPBYARM-CYBMUJFWSA-N 400.467 1.346 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C 514916974 DZFHKXIPMKZXLT-UHFFFAOYSA-N 404.495 1.632 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)CC1 521469175 YXTLPKRBFRWSII-UHFFFAOYSA-N 424.427 1.440 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)Cn2cnc3ccccc3c2=O)cc(OC)c1OC 524244989 CUENLHNVDISAIV-MRXNPFEDSA-N 408.414 1.803 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)n1 531909520 DXOJNUTUDBMTKX-UHFFFAOYSA-N 424.457 1.081 30 10 HDEE Cn1cc2c(n1)CCC[C@@H]2C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 537311527 NLHPEVXIJDQRBO-INIZCTEOSA-N 413.503 1.245 30 10 HDEE CCC(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 540549383 MEJCAPVARAICCO-WOJBJXKFSA-N 415.513 1.525 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1CC 543147450 OVCJEWLGEVVMLL-UHFFFAOYSA-N 413.528 1.206 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CC1 548899523 BRSUALLMCSJCHV-UHFFFAOYSA-N 403.442 1.841 30 10 HDEE CCN(CC)CCN(C(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 550241716 JJWWIPTYSNRXOF-SJLPKXTDSA-N 407.536 1.683 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(c2nc3c(c(C#N)c2C#N)CCCCCC3)CC1 566042054 NFODGPPAYWFDQV-UHFFFAOYSA-N 416.551 1.802 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 566800875 JALRZAMWQAIOEI-JTSKRJEESA-N 422.489 1.955 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 573088534 NNDRVIUTJZPXQD-CABCVRRESA-N 412.560 1.350 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1=O 573413284 WOMDMYKIOKHHOS-UHFFFAOYSA-N 410.434 1.032 30 10 HDEE CN1C(=O)COc2ccc(N(Cc3cccc(C#N)c3)S(=O)(=O)N(C)C)cc21 586236782 SDOCVNZLXGRZPV-UHFFFAOYSA-N 400.460 1.726 30 10 HDEE C=CCNC(=O)NCCNC(=O)c1cc(OC)c(OC)c(OC)c1Br 586431279 ZVBUZQCDXJEVCO-UHFFFAOYSA-N 416.272 1.690 30 10 HDEE CN(C)CCCOc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 586862708 AJOOCUGCMFAFSD-UHFFFAOYSA-N 412.465 1.960 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3C(=O)N3CCOCC3)cc2C1=O 589397935 LNQUPXBTNOJGGH-SFHVURJKSA-N 411.458 1.322 30 10 HDEE Cn1nc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCCO2)c2ccccc2c1=O 619852787 BDCSUJWWRFGAJV-QKKBWIMNSA-N 423.452 1.813 30 10 HDEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 703972808 VGUIGVZXUVWHTG-UHFFFAOYSA-N 417.874 1.688 30 10 HDEE C#CCN(C1CCNCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 710188994 NIESHZCXFVRWMM-UHFFFAOYSA-N 417.531 1.326 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)OCc1cn(-c2ccccc2)nn1 726803375 GTWRPQDYOZRUFH-UHFFFAOYSA-N 411.443 1.439 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC(C)C 732652336 WSRPVADGULXFQC-INIZCTEOSA-N 406.508 1.194 30 10 HDEE N#C[C@@H]1CN(CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)CCN1C1CC1 732672346 HMZMYGXDYCIOOP-QAPCUYQASA-N 407.396 1.626 30 10 HDEE C#CCN(C(=O)c1ccn(S(=O)(=O)c2ccc(C)cc2)c1)[C@@H]1CCS(=O)(=O)C1 735463760 QEYZNVZIHJDYQG-QGZVFWFLSA-N 420.512 1.296 30 10 HDEE CC(C)[C@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 740505684 DTBAEKGGSOGBNF-PFKVCDDJSA-N 408.524 1.846 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)CC2 740731018 FVHVBOQGPJHVEW-CQSZACIVSA-N 401.492 1.176 30 10 HDEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)c1Cl 742295373 DGNCBOVPWHEJHX-NSHDSACASA-N 418.853 1.937 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCN1CCN(c2ccncc2)CC1 742399497 LNANWQBCFPZUHZ-UHFFFAOYSA-N 400.508 1.225 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)CC1 742641322 HEQJOIXVUZIVKZ-UHFFFAOYSA-N 407.474 1.511 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 744772189 ADYAHMAKENKKAP-IOSXPMGOSA-N 413.540 1.663 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cccn(Cc2ccccc2)c1=O 755855369 BDWAYWWCKUTSQK-HNENSFHCSA-N 407.430 1.545 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756126086 DYCXSZFCNZIFSJ-CQSZACIVSA-N 424.486 1.573 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 757314215 NPUTUSHDUSJSTI-QMTHXVAHSA-N 415.924 1.964 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1Cl 757486859 NPXFRUAGDHULIE-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(N4CCOC4=O)cc3)CC2)n1 760618425 BXXCVQXSKRGIFB-UHFFFAOYSA-N 413.459 1.421 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 762549555 SVVLOTYEGDTLAZ-HXUWFJFHSA-N 411.527 1.945 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1cc(C#N)ccc1[N+](=O)[O-] 767193001 AEHRJQUURBLVKC-UHFFFAOYSA-N 403.439 1.982 30 10 HDEE C[C@H](CC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)/N=C1/NS(=O)(=O)c2ccccc21 774071029 LIGWNLLGXCWFRB-VRKREXBASA-N 419.503 1.748 30 10 HDEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 777467348 LXLZFVIIGQHOAB-MRXNPFEDSA-N 417.535 1.361 30 10 HDEE N#Cc1cccnc1NCCNC(=O)C(=O)NCc1ccccc1OC(F)(F)F 785641885 CTGHBDSSSYRPFY-UHFFFAOYSA-N 407.352 1.696 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCCO3)n1 791013032 PJPVUPWVRGGARS-UHFFFAOYSA-N 421.457 1.966 30 10 HDEE CCc1c(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cnn1C(CC)CC 792227974 GAFGYSOTKAYTDA-ZCXUNETKSA-N 416.482 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 810516813 AAOHNWSNERXZEI-HNNXBMFYSA-N 411.455 1.709 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)c1 813983044 FTDJIBYEHWHFAG-XIRDDKMYSA-N 412.475 1.386 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)cc1 816694616 JSGMDLBCWVANNV-KRWDZBQOSA-N 403.460 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCC3CCS(=O)(=O)CC3)NC[C@H]2C1 849053093 YSDHMJHPOYRFHQ-HNNXBMFYSA-N 400.545 1.082 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc3c2OCCCO3)c(=O)n1C[C@@H]1CCCO1 917767903 FMUJRLKYXWNDRY-INIZCTEOSA-N 409.467 1.277 30 10 HDEE COc1ccc(C(C)=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)cc1OC 1084067055 QGQROSQEYZWPCK-UHFFFAOYSA-N 417.455 1.507 30 10 HDEE CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)NC1(C#N)CCN(C)CC1 1127703135 VGGDVHZEUQNKII-HKUYNNGSSA-N 400.523 1.633 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCc3c(CC#N)cccc3C2)C(=O)C1 1131774249 CEHNEKKXDMYTHQ-UHFFFAOYSA-N 412.490 1.717 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)CC1 1137368928 HMGHKOHEJOOJDH-UHFFFAOYSA-N 416.437 1.681 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCS2(=O)=O)c1 1141803071 DYQCUPVZLUPHLS-RKDSPFTASA-N 413.521 1.405 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)CS(=O)(=O)[C@@H]2C1 1157017714 UGKZVFHJHPZARA-TUVASFSCSA-N 413.540 1.711 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3cc(C#N)ccc3F)CC2=O)C1 1158425806 HBLNCKGRXZXUQJ-CYBMUJFWSA-N 402.426 1.647 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)cc1 1158447112 BYHAJGQNAPFMMO-OKILXGFUSA-N 417.453 1.695 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)CC(=O)N3C)s1 1159357885 XYOBQZABUCHRPL-UHFFFAOYSA-N 419.528 1.590 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CC(=O)OC)c2cccnc2)c1 1160197199 ANXXVOVJCZFRQT-FQEVSTJZSA-N 417.487 1.754 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)S(=O)(=O)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1160519983 QRYBWMOIYQHNDH-GASCZTMLSA-N 407.341 1.942 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1168045064 VSZXKIFNQGTVFV-UHFFFAOYSA-N 422.510 1.875 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCC[C@H]1C=NNC1=O 1168404428 LLTHHGVNCGNBTH-LBPRGKRZSA-N 423.267 1.726 30 10 HDEE C[C@@]1(C#N)CCCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1188522351 GPAXRUMKOYLGMG-QUCCMNQESA-N 421.519 1.979 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)[C@@H]1CCC[C@@H]1C#N 1196833331 RESDOJYMXDQPJO-CRAIPNDOSA-N 424.954 1.797 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1212123053 AZDAVIHUMRBPTO-CYBMUJFWSA-N 420.940 1.393 30 10 HDEE N#CC1(CNS(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CCOCC1 1214018897 ACUSCPNTFAUZKY-UHFFFAOYSA-N 413.521 1.070 30 10 HDEE CCn1c(S)nnc1CCNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1226083043 ONLWPTJAHNPCEG-UHFFFAOYSA-N 410.507 1.901 30 10 HDEE C=C[C@H](COC)NC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1235206341 WMPFODVDHTXKNW-GXNBUGAJSA-N 411.499 1.675 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2ccc(C)c(C#N)c2)CC1 1248579348 DFUHRVFPMAQMOP-UHFFFAOYSA-N 407.492 1.519 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1286390045 VTTVTSXBPSGGIV-OAHLLOKOSA-N 405.549 1.986 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCc2nccn2C1 1286400669 JDBHGYGKZFXEKA-PGRDOPGGSA-N 408.506 1.462 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCC(OC)CC1 1286420704 SMOMUWHXJYEUEM-AOCRQIFASA-N 421.567 1.556 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286611204 HLIAJGFOWJUMON-SFHVURJKSA-N 413.526 1.170 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286621659 HDZDNGQRUDQKFM-UKRRQHHQSA-N 412.922 1.795 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1287160703 FXDVHDVRKDSAMS-IKGGRYGDSA-N 401.515 1.078 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1288001874 IYISGBGPQSDISJ-UHFFFAOYSA-N 406.498 1.424 30 10 HDEE C=CCN(C(=O)c1cc(Br)c(OC)cc1N)[C@H]1CCS(=O)(=O)C1 1291937410 YCBJUZLFCMMUMO-JTQLQIEISA-N 403.298 1.855 30 10 HDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1295069670 GXSCTXMBEQOVFT-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1300269080 YXQGNISTZZZLFT-HNNXBMFYSA-N 407.478 1.728 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NCC=C)c1 1300334320 LPNLTZIKNVBYIM-KRWDZBQOSA-N 422.489 1.140 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1300372102 MQOGPIFZHGGMQW-LJQANCHMSA-N 414.554 1.505 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)N(C)C)CCCC1 1300431775 KVGAHZISNTXBLV-NRFANRHFSA-N 403.527 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccc(N2CCOCC2)n1 1300527320 XCYVDDYCWHXJBX-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300664020 MZQWLASUOZEBDL-OAQYLSRUSA-N 409.534 1.856 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2COCCO2)n1 1300677119 XSUHLAMEFGGGAS-SFHVURJKSA-N 416.526 1.474 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1300754924 YKKZKAPIWUXKNI-PKOBYXMFSA-N 412.563 1.863 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)CC1 1301106764 WLCDQKXEDAUTRO-AWEZNQCLSA-N 420.539 1.743 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)c(F)c1 1301295277 HHNYXVHFZWWULM-INIZCTEOSA-N 400.458 1.729 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)cc(F)c1 1301497904 HCQXDZVYEQSRRN-OAHLLOKOSA-N 404.421 1.446 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 1302285672 OQFUSSLIJKNKLB-OYRHEFFESA-N 403.479 1.148 30 10 HDEE Cn1cnc(-c2nnc3n2CCN(C(=O)c2cccc(C#N)c2Br)C3)c1 1302574474 GLASZFHHFBGJPX-UHFFFAOYSA-N 412.251 1.969 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC2CCOCC2)c1 1302982996 SGFRNODOCIAMSC-SFHVURJKSA-N 424.505 1.714 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCOCC2)C1 1303946859 ICRHJMGASMBSHV-HXUWFJFHSA-N 410.478 1.060 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1nc2c(s1)COCC2 1304165281 UFJHLUMWFMFVDC-GFCCVEGCSA-N 420.516 1.113 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1306533785 CTERPOYWHVYVDL-YJYMSZOUSA-N 402.455 1.286 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1)C(=O)OC 1309572617 DBFWYTPRLWIULV-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)c1ccccc1 1309619484 VOZMZNQITYAGEW-OXJNMPFZSA-N 413.455 1.403 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CCO1 1315006449 DNVZUYIDFUTOJX-FUHWJXTLSA-N 410.478 1.195 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1320158822 AHSYDLKJJLDVCT-OAHLLOKOSA-N 400.522 1.437 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)CC)c2)n1 1320957606 DXDVVCADORIICY-UHFFFAOYSA-N 404.492 1.990 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 1344090233 QCJQKGYDOMQNKP-IBGZPJMESA-N 423.517 1.507 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCOCC1 1353853360 FRQAQZCOMARJDQ-UHFFFAOYSA-N 417.531 1.719 30 10 HDEE N#Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)cn1 1355579297 PQTCELJMFHHHEJ-UHFFFAOYSA-N 420.878 1.809 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1358873006 BKPJKXDMFUKWMO-FOIQADDNSA-N 414.514 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1358886814 KZGOEFOSSBFSDM-AWEZNQCLSA-N 408.462 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)NCC)c1 1358968768 YFLITWAHSUFYBH-UHFFFAOYSA-N 406.490 1.287 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1nnn(C)n1 1359016166 SAQJTNSOXMOXJP-UHFFFAOYSA-N 404.413 1.086 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1359018106 DSLIEEGHSRJIBF-MSUUIHNZSA-N 400.483 1.188 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCOCC2)CC1 1359037804 XYYLZWODVWOJAP-GOSISDBHSA-N 414.579 1.406 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N1CCOCC1)C1CC1 1359246341 YPDQWRAEBDWSMH-INIZCTEOSA-N 411.510 1.801 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1359304496 ZGGMMWDKVSVWIS-INIZCTEOSA-N 400.527 1.719 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@@H](C)C2)C1 1359324873 TZFPAOUYVUYRGT-RTBURBONSA-N 416.570 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@](C)(CC)C1 1359333806 KLFRMDRMAYNHIA-HXUWFJFHSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](OCCOC)C2)nnc1C(C)(C)C 1359335710 SKTJLQVTHLLSSZ-HNNXBMFYSA-N 400.545 1.418 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1359634689 AIYRCKRMJPQLEC-UHFFFAOYSA-N 418.523 1.070 30 10 HDEE CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1=O 1360025851 NUCHRGVFFIDXIH-INIZCTEOSA-N 411.466 1.047 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)Nc2ccccc2)s1 1443767857 IDXIUUUXUZHXGW-ZDUSSCGKSA-N 407.517 1.898 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1 1452947398 LBYNXMSRAFVTRX-QGZVFWFLSA-N 407.879 1.682 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2nccc2C1 1453764620 FVKBBGRDYMTXAP-INIZCTEOSA-N 401.492 1.523 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1)C(=O)OCC 1454715662 TXTICKAHIDRHBO-OAHLLOKOSA-N 418.899 1.104 30 10 HDEE Cc1ccc(-c2nc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)cc1 1457198597 JBGGPWHJYFNYOZ-UHFFFAOYSA-N 407.455 1.879 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(OC(F)(F)F)c1)c1cc[nH]n1 1457202393 VMGWODBAYSDSEM-UHFFFAOYSA-N 414.340 1.909 30 10 HDEE N#Cc1cccc(-c2nc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)n[nH]2)c1 1458050132 STSQHWCGMRNCOA-SJORKVTESA-N 406.446 1.723 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnn(CC(=O)OC)c1)c1ccc(Br)cc1 1463777259 UGNAPBZKRVLUAS-AWEZNQCLSA-N 412.265 1.471 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1464379721 IPDAWKQPSUKRCU-MRXNPFEDSA-N 416.565 1.857 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1464521061 KVCOWZICZCVNON-HKUYNNGSSA-N 406.504 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COc3ccccc3[C@H]2O)s1 1468616019 JJCHYOHJNRGHLT-RDTXWAMCSA-N 408.501 1.366 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2 1469876119 BBTPYDOLXIVDNV-NDEPHWFRSA-N 407.488 1.759 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)C2)nc1 1471983702 GESJGHDKRYFZRO-INIZCTEOSA-N 410.478 1.611 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)cc1 1472251074 AAVFLOYTHMQLOH-SFHVURJKSA-N 408.520 1.809 30 10 HDEE CCOc1cccc(N2CCC(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1472352217 HQHGJKSMADJVMJ-MRCUWXFGSA-N 413.478 1.482 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(F)cc2F)c1=O 1473069153 HWSCURKNBNBKOM-UHFFFAOYSA-N 405.357 1.384 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1479096627 DAJSPHWAPHNILZ-GDBMZVCRSA-N 413.540 1.606 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CC(=O)N[C@@H](C)CCC)CC1 1483985893 NIVCXUWBCGOSMD-MZNRPPOFSA-N 401.551 1.641 30 10 HDEE CCc1nnc(N2CCS[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1499240097 CRDBPADREAGJPS-HEWTWTGNSA-N 404.540 1.945 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1occc1C 1504887275 BBVRUARRJAJHBD-HNNXBMFYSA-N 407.496 1.496 30 10 HDEE CO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1505112151 ADYFNVJMNZANAX-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1505124761 WUWXCQINUKCSLD-ROUUACIJSA-N 413.503 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1507518096 KQEHSPMLOBZYJH-XMSQKQJNSA-N 418.586 1.414 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H](OC)C(F)(F)F 1507611482 RBJOFZUPCAKDGE-HNNXBMFYSA-N 420.399 1.958 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638789 SUWGYYIAVSZCRS-HOTGVXAUSA-N 410.540 1.256 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn2ccccc12 1507704208 SRIQSOHRCDFSAF-QFIPXVFZSA-N 424.505 1.712 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC)c2)CC1 1507715635 FOFNNUOJAJVKPH-UHFFFAOYSA-N 410.522 1.619 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCOCC2)CC1 1507728316 QEZRISUHZOZXJP-UHFFFAOYSA-N 414.579 1.408 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507842557 IZBIQGJQCXOELJ-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1507868814 GCQVCTJNLKMCKY-UHFFFAOYSA-N 410.931 1.681 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2ccnc2C)CC1 1507882220 SQDOPBHRRZHRIY-HNNXBMFYSA-N 407.544 1.640 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCOCCOC)CC1 1507884755 LYPQSKITNQFVMK-QGZVFWFLSA-N 412.556 1.780 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507893630 KHECKDQULUDAFS-QZTJIDSGSA-N 403.527 1.968 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNC(C)=O)C1 1507962648 VKMAFZOVHWSFDP-QGZVFWFLSA-N 401.515 1.624 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1508040338 RNKGSXFEMDXCMS-HNNXBMFYSA-N 408.528 1.142 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1508463402 CFDFFQBLZVHUQQ-QFIPXVFZSA-N 423.521 1.681 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508807326 WOZZCSUQHFKBAP-QZTJIDSGSA-N 415.542 1.468 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(CCCCO)C2CC2)C1 1517411826 DZCZNPZGBLFHEL-QFIPXVFZSA-N 410.522 1.625 30 10 HDEE COCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1519070055 QGTHFDOMEPJYFU-AWEZNQCLSA-N 406.512 1.433 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nncn3CC2)c1 1527211300 JVDVFFOVTUNJBA-ZYNBKEAPSA-N 416.507 1.682 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)NC(C)C)c1 1531579072 BCIYBOOGHFDVID-UHFFFAOYSA-N 412.483 1.930 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@@]2(C)CS(=O)(=O)C[C@@]2(C)C1 1534200723 JZDIZVZGRIGHFN-BGYRXZFFSA-N 415.519 1.434 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1534262510 VHSIAWSEMBKOFH-LSDHHAIUSA-N 416.544 1.504 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1535414498 LBXITNLERPWUJP-HUUCEWRRSA-N 423.491 1.013 30 10 HDEE CCOC(=O)C1([C@H](C)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)CCOCC1 1536884898 DNLCOKCMRTZZFR-AWEZNQCLSA-N 418.494 1.936 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539222102 TUJJIEIBBHFEON-MSOLQXFVSA-N 415.519 1.160 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1539324869 YSJMYHIPHQKGKY-GRNWLOBZSA-N 422.489 1.509 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CC1(C(N)=O)CCOCC1 1539564404 ZTHCJMDOXDOAMS-OAQYLSRUSA-N 408.506 1.538 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539770813 QHGLOLLCPRLLKZ-UHFFFAOYSA-N 413.869 1.802 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)n(C)c2=O)CC1 1539894707 QXWYLRFITHIXIP-UHFFFAOYSA-N 410.522 1.858 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)Nc1nc2n(c1C#N)CCOC2 1540003447 ODRLAYFEWRDCQX-UHFFFAOYSA-N 402.208 1.937 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1540071752 HNCQCNHURZQBID-MRXNPFEDSA-N 407.496 1.352 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1540869708 UWDBDMITMVYWBD-SFHVURJKSA-N 422.493 1.262 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@@H]1CCOC1 1541798452 JNCGGAZNCDYITB-JKSUJKDBSA-N 413.482 1.859 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCC(=O)N2)c1 1543195616 MXYUXTLSGMHGSN-AKKXKAEUSA-N 406.508 1.887 30 10 HDEE C[C@@H]1CCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1543922370 DTFKCPFHUWCFGM-VOBQZIQPSA-N 413.457 1.918 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2ncc(C#N)cc2Cl)cc1 1544328240 VMDKKFUQXPUVFM-UHFFFAOYSA-N 408.867 1.461 30 10 HDEE CCOCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 1544462965 MQDHLXVJGIFCCE-RELWKKBWSA-N 419.507 1.985 30 10 HDEE CCC[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1546884523 KTLGNDUHMUWOAM-STGLLQLASA-N 412.498 1.830 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cc(S(C)(=O)=O)ccc2F)c1 1556345393 FWXFMLIPRHQBSO-UHFFFAOYSA-N 423.487 1.956 30 10 HDEE C#CC[C@@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C(=O)OC 1556971472 ZEIPLOOMJOWQBF-CQSZACIVSA-N 406.236 1.230 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1557543242 ITGZIXYQLVTLMQ-KNQAVFIVSA-N 401.507 1.694 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCn3nc(C(=O)OC)cc32)c1 1558709741 HFWMDYISZQGLED-MRXNPFEDSA-N 415.471 1.732 30 10 HDEE C#CCC[C@@H](O)CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1568081483 GKWQTBVXTRIYEN-OAHLLOKOSA-N 413.515 1.639 30 10 HDEE CS(=O)(=O)CC1(NC(=O)c2cccc(CNc3ncccc3C#N)c2)COC1 1570833086 FKSBLNOSEPYXLB-UHFFFAOYSA-N 400.460 1.109 30 10 HDEE N#C[C@@]1(NC(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CCSC1 1584461120 SDOHBFOVVDWSBA-LBPRGKRZSA-N 424.729 1.879 30 10 HDEE N#Cc1cccc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1Br 1585445869 PTFVDSNCYCERQO-OXHZDVMGSA-N 404.220 1.422 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCn2cncc21 1585868521 LZLCZIJWWNNVCN-GJZGRUSLSA-N 401.492 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1587550033 IEHWYTFEAIBXSE-CQSZACIVSA-N 403.508 1.326 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@H](C)OC)c1 1587689863 RTOVPSIJCNWADP-HNNXBMFYSA-N 405.462 1.826 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1587857290 YANSLDIIURMABP-IRXDYDNUSA-N 407.540 1.200 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1587989649 LYHBHSNVXFYUGD-QGZVFWFLSA-N 410.503 1.484 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OCC)CC1 1593624848 ARZLGNSHYUYHBN-UHFFFAOYSA-N 402.455 1.860 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@]3(C(=O)OC)CCC[C@@H]23)s1 1594950612 MNZXCBKJUDMVLR-KDOFPFPSSA-N 412.533 1.699 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 1595467458 UYDCEHFPGFQLCF-UHFFFAOYSA-N 418.448 1.559 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1595601911 AEIXTCAUSDNERR-NRFANRHFSA-N 420.558 1.151 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN2CCCS2(=O)=O)C1 1595743968 ICPAJZIKJCNQAK-GOSISDBHSA-N 423.583 1.828 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595812228 PVBQJYWAJJWUPP-IRXDYDNUSA-N 421.567 1.326 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC3(CCOCC3)Oc3ccccc32)C1=O 1596337630 VYZNIBYSSYYNKE-OAHLLOKOSA-N 413.430 1.152 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1c(F)cc(O)cc1F 1597410319 YBMVRGQUQZCARS-LLVKDONJSA-N 409.414 1.568 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(N)=O)c1 1611297512 GAYGSRNLMNNUSS-AWEZNQCLSA-N 408.466 1.329 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1613011387 QZACXSKICKQRQT-VQIMIIECSA-N 413.478 1.759 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(N(C)C)CCSC1 1613987722 YGEXNTSJGHWQOI-FQEVSTJZSA-N 413.551 1.813 30 10 HDEE CCCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1614505902 JKCCLHCOAUGIGY-KSZLIROESA-N 406.531 1.463 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1615912746 FWEVWIRHXJOONS-UONOGXRCSA-N 410.544 1.081 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@@H](O)COc1ccccc1C#N 1618183766 IFPQYWBHCUDLAD-GOSISDBHSA-N 418.519 1.014 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1620055602 WOWKEFGNGQFODJ-MSOLQXFVSA-N 410.478 1.337 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1)C(=O)OC 1622225969 DNLKQFWSPMUEHJ-ZDUSSCGKSA-N 410.473 1.625 30 10 HDEE CCCCS(=O)(=O)CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1625433949 WTJLCOZFTUAFTN-UHFFFAOYSA-N 421.498 1.729 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 1627429135 REUZODQOCLUAJJ-KPZWWZAWSA-N 414.443 1.089 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CN3CCCCC3=O)CC2)c1 1628608122 QRCHDWOZZYCHQX-UHFFFAOYSA-N 421.494 1.988 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1628636828 BCCZAYWOTQIAQY-MRXNPFEDSA-N 413.478 1.247 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccsc2C#N)CC1 1629305358 KNOHMLWXGGBIPR-HNNXBMFYSA-N 422.507 1.725 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1629543712 YBSMFVBVSSTAMI-LSDHHAIUSA-N 421.498 1.459 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCS(=O)(=O)C3)C2)C1 1629553418 CGIKWJHMVWCSJI-PPXVZNSRSA-N 411.524 1.324 30 10 HDEE N#CCc1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 1633131377 YGHRDLITBPVCOF-INIZCTEOSA-N 400.460 1.857 30 10 HDEE C#C[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)[C@@H]1CCCO1 1633397639 MWRRKSCSOBUVNI-PMACEKPBSA-N 415.515 1.711 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1634439439 YJDKOTKMVULOOD-NLZNRUDDSA-N 406.483 1.855 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(C)C)[C@@H](O)c1ccccc1)c1cc[nH]n1 1635463846 GGZZRGXNSIHJLH-HKUYNNGSSA-N 402.451 1.568 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)C1 1637161293 PFQXDTZECJFTHA-LBPRGKRZSA-N 417.307 1.884 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1637185742 FYJXZXYHOWLWGV-ZWKOTPCHSA-N 406.504 1.446 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2ccccc2[C@@H]1CO 1639188748 AWQHBTNIURPHIL-KDOFPFPSSA-N 415.471 1.180 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc1 1640991707 BTVLLDKJAPRPDT-UHFFFAOYSA-N 409.471 1.509 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)C(=O)OCC 1642684203 YPNJJAVWXDMSSH-XEZPLFJOSA-N 409.788 1.988 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCO1 1643861599 KIOIIEHCTKMXDZ-LSDHHAIUSA-N 405.524 1.507 30 10 HDEE CCOC(=O)c1c(C)nc(O)nc1SCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1644203313 GNDULLGVBBGDJQ-CQSZACIVSA-N 421.523 1.452 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)Cc1ccc(F)cc1 1644836058 MPFBSSKDVBPVRB-SUMWQHHRSA-N 405.451 1.084 30 10 HDEE C#CCN(C(=O)c1cc(C(=O)OC)nn1C)C1CCN(C(=O)OC(C)(C)C)CC1 1645458587 YAODIICPFXMKDF-UHFFFAOYSA-N 404.467 1.682 30 10 HDEE C[C@H](O)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1647759184 HYAFKKZAILPCDI-LIRRHRJNSA-N 401.488 1.744 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1650972100 IMHDPBVJWKHHRU-HUUCEWRRSA-N 416.927 1.854 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1651134919 XRUISKWHNMCKIL-SFHVURJKSA-N 407.474 1.875 30 10 HDEE N#Cc1ccc(OCCCn2c(=O)oc3cc(S(=O)(=O)CCO)ccc32)cc1 1651943405 IAVURTCBDVJEFP-UHFFFAOYSA-N 402.428 1.701 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCC[C@@](C#N)(c4ccccn4)C3)cc2C1=O 1655280787 OBWLRHMPHCMAQE-QFIPXVFZSA-N 403.442 1.803 30 10 HDEE N#Cc1ccc([C@@H]2CN(C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CCO2)cc1 1660382712 ZHXPHASXHRYMFV-PMACEKPBSA-N 406.442 1.809 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 1663717206 DWAJDDBLRAYVOC-JKSUJKDBSA-N 418.560 1.576 30 10 HDEE COCCN1CCC[C@H](NS(=O)(=O)c2cc(Br)ccc2C#N)C1 1664106232 BOXXERCZLCDXTH-AWEZNQCLSA-N 402.314 1.710 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cccc(F)c1C#N)C(=O)N1CC[C@H](N(C)C)C1 1664960620 FLBBVENLVROTNK-YOEHRIQHSA-N 410.515 1.553 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCc3cccc4c3OCCO4)C2=O)cc1 1680778811 MWGUMFVAXGMUOD-IBGZPJMESA-N 420.469 1.972 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3ccc(OC(F)F)c(F)c3)C[C@H]1CS(=O)(=O)C2 1681425488 KZMLLARCJJJVMP-ZBEGNZNMSA-N 403.382 1.507 30 10 HDEE C#CCN(C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1682594171 VJXRKQIOFWKDGS-ZMSDIMECSA-N 403.504 1.185 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1690005024 OVJHPMGDCPACBA-UHFFFAOYSA-N 410.474 1.577 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1690156322 VBHWIMPVEKTOES-KBPBESRZSA-N 415.585 1.258 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(CCC(N)=O)CC1 1690169933 SPAFOVAWAZKOHE-UHFFFAOYSA-N 401.540 1.527 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690469719 ZFMMKDKHPFSSKR-KSZLIROESA-N 418.542 1.914 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=C(C)CC1 1690671257 SFEINWUTTCNYEP-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690673329 SYAUGXHNTUJKFD-MSOLQXFVSA-N 408.506 1.194 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1690676911 IJCLWWGQLQBTRY-FQEVSTJZSA-N 402.499 1.361 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1693830904 UHXBUUZCTGTECJ-ORIGZDJFSA-N 400.483 1.372 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1694786724 POSXQLLDCRUICZ-UTKZUKDTSA-N 410.478 1.337 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1696085185 CTFUSFHNTIIMNE-XLIONFOSSA-N 406.531 1.389 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1696437702 OZESDFLWQDFCLK-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1696843040 CROJGHORKREWQT-RMYFCYLKSA-N 411.466 1.415 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1705534724 PSFZFHJJAOCWSE-KRWDZBQOSA-N 418.523 1.056 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1705539520 SZOHXVJERXZYIO-NQIIRXRSSA-N 405.543 1.501 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705564225 MRCACRWVRPVMHM-JKSUJKDBSA-N 405.524 1.193 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1705566354 NOXLETVWRHSIGF-KRWDZBQOSA-N 412.519 1.862 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@@]1(N2CCOCC2)CCSC1 1705600172 OHLJBMPDVVLIOQ-QFIPXVFZSA-N 413.591 1.901 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)[C@H](C)CC)CC1 1705635145 SAFBBOWZFVAATI-DXIQSLLYSA-N 419.570 1.747 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705687631 HEPFSDBTKUHVBH-CABCVRRESA-N 423.315 1.793 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1705873042 VAXGGZPIENJWJC-HXUWFJFHSA-N 418.519 1.682 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1709901003 QFJQLZUPMJHCRF-SJORKVTESA-N 407.478 1.010 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)F)CCN1C1CC1 1712884907 VQKGLKRCJDMCJT-UONOGXRCSA-N 409.441 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCSCCCO 1722279161 AFRUDXKVDWLBJG-HNNXBMFYSA-N 412.523 1.494 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1722361045 XIVQAQDXQWEDDG-MRXNPFEDSA-N 406.508 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C(C)C)n1Cc1nnn(C)n1 1722386796 KXCJNWWPBVBEGM-UHFFFAOYSA-N 418.505 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1 1722397261 OOZAVSMEAJBNMK-QGZVFWFLSA-N 400.479 1.831 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(C)CCCO2)CC1 1722447549 JMNQQGBMOAZEMU-XMSQKQJNSA-N 415.538 1.707 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722525118 NLFNWDXISDZXON-UHFFFAOYSA-N 415.542 1.703 30 10 HDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1731136441 WPINXHRPRTYARN-UHFFFAOYSA-N 421.548 1.717 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC=C 1740537631 GABYRIXUKMXMIS-APWZRJJASA-N 410.540 1.377 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1740550119 HQIRTUIZPKBSRE-FGTMMUONSA-N 407.584 1.760 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCNS(=O)(=O)CC 1740556939 XBMWHOIMRZHMKN-CYBMUJFWSA-N 410.569 1.421 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740619881 AOMADWWWMCAFQW-KRWDZBQOSA-N 416.551 1.386 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCn2cc(C)nc21)[C@@H]1CCS(=O)(=O)C1 1740624957 LMAMNJPCPBRNNC-IAGOWNOFSA-N 416.551 1.550 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccco1 1740630978 HFITWVHSZLILQL-FGZHOGPDSA-N 412.490 1.892 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1740688511 RABPGWRJDOKBLN-IBGZPJMESA-N 411.462 1.230 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740817061 TXKNQWNVKDNEQC-QWHCGFSZSA-N 406.878 1.414 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740947799 GETHIXMVKGFVJT-OAHLLOKOSA-N 402.524 1.962 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@@H]2C(=C)C)C1 1740981310 VMAWTLLUWWMKBN-MJQMVNBJSA-N 401.511 1.992 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1741045308 FGTFADXCGZETDZ-UHFFFAOYSA-N 407.478 1.011 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1741200596 YCJVEMDBYKHZHZ-IAFNSTAXSA-N 413.482 1.122 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)cc1 1742284828 WUCCSLVWHXYJHO-GOSISDBHSA-N 401.467 1.293 30 10 HDEE Cc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1742303273 FMUGRTVOSRTSDZ-KRWDZBQOSA-N 418.461 1.202 30 10 HDEE CCn1cnnc1Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H](C)C#N 1746365001 FWBFQMIAYSRADK-HNNXBMFYSA-N 404.482 1.772 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1748639381 GFXUFEOYGIHGIZ-GJZGRUSLSA-N 405.524 1.793 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1748766697 VILUYVCNNMCBGU-INIZCTEOSA-N 420.477 1.395 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC[C@@H]1OC 1748800152 SECFMUZJEBYWGF-APWZRJJASA-N 400.479 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCCC 1748890030 NALODOZWGRZREE-UHFFFAOYSA-N 407.474 1.705 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1748918578 KMBYWHICTJJNAA-UHFFFAOYSA-N 400.508 1.606 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2([S@](C)=O)CC2)CC1 1749015331 DAVNBWHBJAGTDG-NDEPHWFRSA-N 403.552 1.108 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749430698 VWKVYXNLGYYSAR-QGZVFWFLSA-N 406.494 1.789 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C 1749663686 MWWCGXMMNYRACX-UHFFFAOYSA-N 400.874 1.666 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CN(C)C)C1 1749718666 YALNMFCKTNMYRH-QGZVFWFLSA-N 404.559 1.770 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCOC1 1749825401 ZQVWMCLIQNPVOT-LJQANCHMSA-N 416.438 1.371 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CCC1 1750255921 BOLCUKHIZWDWGI-QWHCGFSZSA-N 400.574 1.912 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)[C@H](C)CC#N 1751005530 DDFYUQQUBPQQNJ-CQSZACIVSA-N 410.569 1.997 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)cs1 1751777633 SWGVGJUKOQKHGT-IRXDYDNUSA-N 408.528 1.944 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1760124042 DPBXOVIAPRFPGK-XLAORIBOSA-N 421.567 1.792 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1760188808 DEVYNSOOJMHVDE-OAHLLOKOSA-N 405.549 1.557 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(OC)CCOC1 1760212463 VQDCHZDOUYIPFI-LEWJYISDSA-N 402.495 1.199 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1760224938 CWACSXDHZZSPJZ-CQSZACIVSA-N 421.523 1.413 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1760233387 MBTNOPAMFRQIPF-INIZCTEOSA-N 410.540 1.225 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2C[C@H](F)C2)CC1 1760265352 YRICJXJJPYUSFQ-JCNLHEQBSA-N 418.517 1.520 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccn2)CC1 1760306455 HMALCUPEJBIGBJ-AWEZNQCLSA-N 420.315 1.807 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1760352723 WVVVOXXWDSSAAU-KBPBESRZSA-N 403.574 1.423 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2ccnc2C)C1 1760534614 CLBSNUXFJKITIL-QGZVFWFLSA-N 422.493 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760554870 PKLKSJQHBDHDLZ-HNNXBMFYSA-N 418.585 1.091 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)C1 1760592196 ZZZKTNOLWXDYCP-SFHVURJKSA-N 408.510 1.438 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1761544928 NGCJWRVKYLPGGH-KKSFZXQISA-N 409.494 1.844 30 10 HDEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769552171 JWQBMFZFTXRWFV-CYBMUJFWSA-N 411.466 1.084 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@@H]2CCOC2)CCO1 1771537017 GJFFBNPEVARQJL-PKOBYXMFSA-N 412.494 1.436 30 10 HDEE CCn1cnnc1Cn1c([C@H](C)OCCOC)nnc1N1CCC(CC#N)CC1 1772880825 BTFCUMKJXDJLKB-HNNXBMFYSA-N 402.503 1.792 30 10 HDEE C#CCCN1CCN(C(=O)CN(C)c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1850893037 HENJKWSHLZGZGU-UHFFFAOYSA-N 420.560 1.304 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CCS(=O)(=O)N(C)C)ccc21 1851052821 YKUGKGHNFIUQLS-UHFFFAOYSA-N 409.508 1.844 30 10 HDEE C[C@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CCO[C@H](C(N)=O)C1 1852620623 JHNFBFATLDQHCN-KUHUBIRLSA-N 403.442 1.504 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853170784 LUEPSNQXWHZLDK-CQSZACIVSA-N 411.462 1.377 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN([C@@H]3CCS(=O)(=O)C3)c3ccccc32)ccn1 1853672840 WZYKLJGQEJNNNZ-MRXNPFEDSA-N 410.455 1.524 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1853919738 DPWUZWBXLDOZEG-RBUKOAKNSA-N 415.515 1.446 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1853919739 DPWUZWBXLDOZEG-RTBURBONSA-N 415.515 1.446 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2F)C(=O)C1 1853948499 OVDSDXUPWRYLQZ-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854035611 ONRMVDRLZHRGCB-UHFFFAOYSA-N 413.455 1.305 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1=O 1854261977 FIUUDBPYZOZAAU-GOSISDBHSA-N 424.892 1.953 30 10 HDEE C=CCN1CCN(C(=O)c2cccn(Cc3cc(OC)cc(OC)c3)c2=O)C(=O)C1 1855375241 KBVDSMZIHMUMPJ-UHFFFAOYSA-N 411.458 1.384 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccon3)C2)CC1 1855887480 BRGZRHZOEZBBGS-MRXNPFEDSA-N 408.462 1.071 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@H]2COc3ccccc32)CO1 1855929478 YOFTVVSXNQUWPX-HOCLYGCPSA-N 400.412 1.582 30 10 HDEE CCOCC(=O)N1CCCC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1856194401 IMLJMMRHWYJFCH-IBGZPJMESA-N 414.506 1.988 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856531808 LVCWYZHXYDBCHX-SJLPKXTDSA-N 404.474 1.849 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1856637799 WZQSGKOSHHZIKA-HKUYNNGSSA-N 417.531 1.835 30 10 HDEE CC(=O)c1ccc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857112238 UTZKSGSFUTUCEI-LJQANCHMSA-N 404.426 1.660 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(F)cc(F)c3)C(C)(C)C2=O)CC1=O 1857347784 VKMISXRHNNDSAA-HNNXBMFYSA-N 405.445 1.949 30 10 HDEE C[C@]12CCC(=O)N1CCCN2C[C@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1 1857458988 MCEYSXCGOOYRIF-AUSIDOKSSA-N 408.502 1.910 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](C(=O)Nc2ccc3c(c2)OCCO3)C1 1858421690 BNJAQLQUJSTOIW-OAHLLOKOSA-N 413.455 1.979 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1862179874 HNZGTTNIKLFVFD-QGZVFWFLSA-N 413.474 1.533 30 10 HDEE COc1ccc(-n2nc(C(=O)N3CCn4c(C#N)ccc4[C@H]3C)c(O)cc2=O)cc1 1866396826 IPLDRINYERBVOI-CYBMUJFWSA-N 405.414 1.837 30 10 HDEE CN(C)CCCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932053 ROLMAAAGXJRMRP-SFHVURJKSA-N 414.531 1.404 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870562429 GFICKNQMEAAYRR-GASCZTMLSA-N 419.503 1.165 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OC)cc1 1871260411 KBXGIIHCGYOVCJ-UHFFFAOYSA-N 401.463 1.532 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)CC1 1889396753 FQCHDRFHARUYRC-UHFFFAOYSA-N 413.566 1.410 30 10 HDEE CN(C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)[C@H]1COC[C@H]1O 1889976955 YHSNSEHWOQADLD-LSDHHAIUSA-N 402.476 1.709 30 10 HDEE COc1ccc(-c2cc(=O)n(CC(=O)N3CCC(C#CCN(C)C)CC3)cn2)cc1 1890111463 CETCRMDQMQSJLW-UHFFFAOYSA-N 408.502 1.723 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1896158255 ATCPWDPEODBBAD-XGUBFFRZSA-N 410.320 1.813 30 10 HDEE CN1CCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C[C@@H]1C#N 1985181302 UQKZTDVXKWZFTM-IBGZPJMESA-N 415.538 1.679 30 10 HDEE N#CCCn1cc(C=CC(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc21 2040480781 YZNDSHZOZPYTAL-UHFFFAOYSA-N 405.502 1.991 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H](CN)c2sccc2S(C)(=O)=O)[C@@H](C#N)C1 2194942257 UPYQLRXYJDGJCN-STQMWFEESA-N 414.553 1.596 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(C)OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2247951426 ISRWGMJXOPMGGW-UHFFFAOYSA-N 403.331 1.397 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248396328 XZMWSURIMFBMPV-CQSZACIVSA-N 421.303 1.859 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCC(N)=O)cc2Cl)OC1(C)C 2267707047 KCVZASHJPXZYHU-UHFFFAOYSA-N 408.738 1.245 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCS(N)(=O)=O)ccc2Cl)OC1(C)C 2281788672 DVJFSKJDFKIFEE-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](C(F)F)[C@@H](N)C3)c2)OC1(C)C 2282331398 MVDPKCIZSYPGMS-QWRGUYRKSA-N 408.301 1.260 30 10 HDEE COC1(OC)CC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333584 QJTIRGXCMBYHEA-NSHDSACASA-N 403.331 1.477 30 10 HDEE CC[C@H]1CCNC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339411 YDZXWZNYWXOKGS-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE CC1(C)NCCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340626 IEHMNVODIWYYBL-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1COCCO1 2282348250 JCGBZOLRGSUXKR-NWDGAFQWSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(C)CSCCO3)c2)OC1(C)C 2282351345 ZGMRDAIWPQOQMM-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCCN3)c(Cl)c2)OC1(C)C 2282492628 PVHDTHOCPFVYRP-UHFFFAOYSA-N 402.709 1.165 30 10 HDEE C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494843 DIKFMIZJSOGBJG-BXUZGUMPSA-N 401.721 1.783 30 10 HDEE CN[C@@H](C)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282841316 UCQDKAPTIQCTEM-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CO)CC(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282846215 GIHDMHXHQOVFFM-JTQLQIEISA-N 411.301 1.650 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1(C)C 2282849115 WYVUUAALNJUQCY-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282864474 GKYMZUGREQKNSR-YMXBGEKHSA-N 401.359 1.373 30 10 HDEE CN(C(C)(C)CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870594 VBMYKYGDYPTKGM-UHFFFAOYSA-N 403.375 1.970 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)N1CCC1 2282878618 IMYQVBAFRGRZGP-CYBMUJFWSA-N 400.375 1.561 30 10 HDEE C[C@H](CCN)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282881678 APRQRTVWWBEXOY-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE CON(CC(=O)O)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2284392922 DBCYDBNUPHROGI-UHFFFAOYSA-N 405.303 1.301 30 10 HDEE C[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284394846 DISQGPAOQFLEDY-WDEREUQCSA-N 401.315 1.531 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C(=O)O)C1 2284404903 CRBWUHWFHJXKIT-LLVKDONJSA-N 401.315 1.451 30 10 HDEE CC(F)(F)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409016 DMTKBATUMZLEBP-JTQLQIEISA-N 411.257 1.434 30 10 HDEE C[C@H](C#CC(=O)NCCc1nnc(Br)n1C)NC(=O)OC(C)(C)C 2302419831 CHCXKKJVQPNROO-SNVBAGLBSA-N 400.277 1.153 30 10 HDEE C#C[C@]1(O)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316806775 GCIRMEDBMKKKPV-FQEVSTJZSA-N 404.488 1.243 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@](NCCC#CBr)(C(=O)O)C[C@@H]21 2324760842 KKTYLWYRDCVVJZ-OGHNNQOOSA-N 417.300 1.944 30 10 HDEE CC[C@@H](C#N)N1CCN(C(=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)CC1 2360616576 VPYBMOIZOSDWNG-LSDHHAIUSA-N 400.460 1.949 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3C[C@@H]3CC(=O)O)c2)OC1(C)C 2360937706 GBCYEZZLJOOBKM-MNOVXSKESA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]2(C)CNCC2(F)F)OC1(C)C 2361656546 IIEOBDTXNVIWQF-CQSZACIVSA-N 408.301 1.323 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2365209061 FHZPTMMPBPROFG-CABCVRRESA-N 402.557 1.816 30 10 HDEE CC(C)[C@@](C#CC1(S(C)(=O)=O)CC1)(CNC(=O)OC(C)(C)C)OCC(=O)O 2367784585 BCKRFNPZAUEEPW-GOSISDBHSA-N 403.497 1.588 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2367799745 CVBFZZGPMGTNAA-OWCLPIDISA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2367807350 SIBBEYFQBGCNHE-OWCLPIDISA-N 400.541 1.163 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367814143 ANRKCRUWIJPTLH-OWCLPIDISA-N 402.557 1.457 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367831625 SPUHWIKSAUAQMD-YZVOILCLSA-N 400.541 1.291 30 10 HDEE CN([C@H]1CNC[C@@H]1F)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2369655493 YLUMUTBIXFYNLU-STQMWFEESA-N 404.338 1.119 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)c1 10044914 SXHZDKXQEZHSLT-VOTSOKGWSA-N 424.457 1.204 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 20424090 RIUWLRLTHDGREE-REZTVBANSA-N 415.439 1.932 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 320472304 MNLJXOXSGVSZSL-QMMMGPOBSA-N 411.217 1.205 30 10 HDEE COc1cccc([C@@H]2[C@@H](NS(=O)(=O)N3CCO[C@H](C#N)C3)CCN2C2CC2)c1 409487876 WWMBGWPYUQQZJN-CEXWTWQISA-N 406.508 1.032 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 428242290 LVYWSLOASKUTLG-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436908729 JKDHYUNPDULIBS-OAQYLSRUSA-N 401.463 1.938 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 443338379 ZQSFVTSQFPBRKC-UHFFFAOYSA-N 418.519 1.306 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3C#N)CC2)s1 465496733 MFYLWNAAMRPMRR-UHFFFAOYSA-N 424.479 1.841 30 10 HDEE CCOC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 473942930 YWPRRIWUJXILIQ-UHFFFAOYSA-N 414.487 1.949 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1)C2 483084460 NDQJAIMRDRKJPR-VWKPWSFCSA-N 403.454 1.972 30 10 HDEE CSc1nc(O)c(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)cc1C#N 483737092 YVZKUZOTBRJDGI-UHFFFAOYSA-N 403.508 1.055 30 10 HDEE COCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 484892603 TXGZOFMKRMYKMD-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)Nc3cccc4c3OCCC4)C2=O)cc1 488649122 SJWKVQSJCHBDIG-IBGZPJMESA-N 418.453 1.739 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccccc3Cl)CCOCC2)CC1 499718178 JMUGRKHYYQDFEO-UHFFFAOYSA-N 405.926 1.835 30 10 HDEE Cc1cncn1C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 505654244 IBDUEZHCDLLGFK-HNNXBMFYSA-N 401.492 1.594 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C2(CCC2)C1 508496571 ZSZNAAOSPZOVOC-CVEARBPZSA-N 409.556 1.814 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN(C)C 510090566 XHWWIZKINJVFLB-XLIONFOSSA-N 408.502 1.731 30 10 HDEE C[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 539278529 AMUDBOAYECEHFJ-OAHLLOKOSA-N 421.544 1.933 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 539475937 UJKVDTRWXPEHHH-LEWJYISDSA-N 403.486 1.956 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 549298238 YAQHKPXXJHHFGH-HNNXBMFYSA-N 408.528 1.317 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H]3CCOC3)CC2)n1 550072891 RCXZUOYRSRMWAE-DLBZAZTESA-N 409.494 1.412 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2Cc3ccccc3O2)n1C 558444441 HKQOYSIIUVYVDF-RDTXWAMCSA-N 402.462 1.868 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CNC1CCC(Oc2ccc(C#N)cn2)CC1 564138755 WVNIWVVWQWWLGE-UHFFFAOYSA-N 404.496 1.284 30 10 HDEE COc1cc(CNC(=O)NCCN(C)S(=O)(=O)c2cccs2)ccc1C#N 566652619 UYMGGCAMYGRJPI-UHFFFAOYSA-N 408.505 1.748 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(N4CCCCC4)nn3)CC2)cc1 585471524 WREKRNYDWOUFBT-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE C=CCOc1ccc(NCC(=O)c2ccc3c(c2)N(C)C(=O)CO3)cc1-n1cnnn1 586322432 FZTOFEABNTUMEH-UHFFFAOYSA-N 420.429 1.877 30 10 HDEE COc1cc([C@H](C#N)NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC 609006385 JWTDBVWPVYCOEN-KRWDZBQOSA-N 422.441 1.883 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727417656 IKFVAUSNJKCTCB-UHFFFAOYSA-N 408.483 1.170 30 10 HDEE Cc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1S(=O)(=O)NCC#N 728151708 BZWLRVSMVTUMAW-UHFFFAOYSA-N 414.487 1.886 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2sccc2S(=O)(=O)C(F)F)cc1 731135488 ITVLHWJIGPARKF-UHFFFAOYSA-N 420.440 1.876 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C3CC3)c2=O)cn1 735068780 LDQBIZPOBBPCRJ-UHFFFAOYSA-N 419.510 1.993 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(NC(=O)c2ccncc2)c1 735851760 DQVQDTHQKYVUFX-LSDHQDQOSA-N 419.441 1.867 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(C(=O)CCc2ccccc2)CC1 751233189 OIECXOUPCYVVGY-UHFFFAOYSA-N 412.515 1.877 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)o1 760388953 TXIKCUSJAMEQTD-UHFFFAOYSA-N 403.482 1.064 30 10 HDEE CN1CC[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1ccc(F)c(F)c1 765311755 PWUVUZXWTNIEGF-CKXBDKALSA-N 404.417 1.743 30 10 HDEE CC#CCCCCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 768112688 DWCCVNJHTWQNAA-UHFFFAOYSA-N 406.504 1.890 30 10 HDEE COc1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 769643014 WGIKXWIXGPYKOK-UHFFFAOYSA-N 403.416 1.027 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774171150 CDVVWWRTEJNYJB-MRXNPFEDSA-N 423.510 1.119 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779594348 HOYSDROUXPBSPE-UHFFFAOYSA-N 410.451 1.370 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(CN3C(=O)CSC3=O)cc2)CC1 780202987 NSJQXYYTFMFIBI-UHFFFAOYSA-N 400.460 1.973 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1CCN(C(=O)c2ccc(OCC)cc2)CC1 783169334 PQLZBOHPROVERU-UHFFFAOYSA-N 423.535 1.590 30 10 HDEE Cn1cc(C#N)cc1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cn1 791017517 ORYRRVAKBRNEIE-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)c1 796727384 VNCSHXHSEBUWFQ-UHFFFAOYSA-N 412.406 1.210 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](NCCN/C(O)=C2\N=CC=CC2=O)C2CC2)C1 796819282 WIDONOSUFDICEF-IKQYZECCSA-N 420.510 1.517 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCc3ccc(Br)cc3C#N)cnc21 805386502 RZFXTEFCCKIZKU-UHFFFAOYSA-N 402.208 1.508 30 10 HDEE COc1cc(N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc(OC)c1OC 809830695 AFTMSSJGGABWQB-UHFFFAOYSA-N 409.508 1.858 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N 813704946 BOENPSASEOKTGX-CVEARBPZSA-N 408.480 1.320 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)C1 1116546266 SVAGEGFYYNIACL-CYBMUJFWSA-N 402.900 1.682 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(CO)ccn1 1142705343 IBKAILXSZMCQBD-OAHLLOKOSA-N 402.476 1.666 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1149469068 PKQLZLNECMFIND-UHFFFAOYSA-N 423.498 1.700 30 10 HDEE Cc1oc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1S(=O)(=O)N(C)C 1151411843 LMSFWCQTIXWNIE-LJQANCHMSA-N 402.476 1.931 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC1CCOCC1 1158447521 HJOBQAOMGBXARF-QAPCUYQASA-N 421.519 1.269 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1171181370 LLNMGJAZGBSQMC-XGHQBKJUSA-N 405.495 1.938 30 10 HDEE CC(C)(C)c1ccc([C@H]2CCCN2C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1189745466 IHGXNOVKLQIJRP-LJQANCHMSA-N 424.501 1.535 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 1192214366 IPVRYXKYUFYRKR-UHFFFAOYSA-N 412.533 1.618 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)c1 1193964880 UZZOYYDKDKGCPI-LBEKAKSKSA-N 413.503 1.338 30 10 HDEE Cn1ncc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1Br 1208012808 AHCYVAGDEUJAFO-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE C=CCCC(C)(C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1211154853 MYPGKZXOSSEGCD-UHFFFAOYSA-N 409.556 1.577 30 10 HDEE C=CCSCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1226100920 PTWOQDPBQNZFID-AWEZNQCLSA-N 421.585 1.629 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)cc1 1254488800 NMEDPXGOWCTHIS-UHFFFAOYSA-N 408.462 1.154 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCNS(C)(=O)=O 1286403794 LXAUVEMRJXQFIY-UHFFFAOYSA-N 409.874 1.360 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@@H]1C 1286464273 YJBYMFFTSCLCHM-QVKFZJNVSA-N 414.462 1.300 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCC1 1286464612 CLYFQCAUYILPRM-INIZCTEOSA-N 410.540 1.573 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C 1286467248 SAQGJBAZUVAQKF-IIBYNOLFSA-N 402.470 1.634 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@H]2COCCO2)n1 1286469483 IIUOWJGWYCQZBM-GOSISDBHSA-N 402.499 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC2=CCCOC2)CC1 1286490579 YNRBYYBYQXRPFC-UHFFFAOYSA-N 406.490 1.653 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1286506115 FJIGARFUIWZMLC-HNNXBMFYSA-N 407.540 1.009 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1 1286565523 APZWEKBOJZXUIW-IYJVBRSBSA-N 417.601 1.592 30 10 HDEE C=C(C)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286591958 WPHYLADETQXGOG-CYBMUJFWSA-N 400.870 1.322 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286680518 LFVYUIUCNJNYCS-QGZVFWFLSA-N 404.515 1.212 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1286681391 VTBSJWSMVDNURL-UHFFFAOYSA-N 402.499 1.949 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1286730384 FOSWLCXTTCEBDP-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@H]1OC)C1CC1 1286732278 OUWMFJWMPNUKEE-SQWLQELKSA-N 413.544 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1286817191 KJUBHLGEFZQAQO-SJORKVTESA-N 411.572 1.159 30 10 HDEE C=CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1286824633 ZJMQAQOPCTWHKL-OAHLLOKOSA-N 419.559 1.046 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1286828403 MHIJIKRMAKMWAF-INIZCTEOSA-N 412.523 1.756 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1286830272 KQASRLDAFUYPIB-CYBMUJFWSA-N 400.499 1.536 30 10 HDEE CC(C)(O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287096333 CSCCSEJTUKAUBB-CQSZACIVSA-N 412.494 1.868 30 10 HDEE Cc1cccc(-c2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1289942469 UMWSEEUMOPVPKF-ZZEZOPTASA-N 405.462 1.941 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1292142283 PIDQLLDAWMRDGP-LSDHHAIUSA-N 421.498 1.237 30 10 HDEE CCn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)O)c2ccccc2c1=O 1296220748 ARXYAEMYTZTSOX-CQSZACIVSA-N 423.477 1.175 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(OC)CCOC1 1297188238 IUCRLSOJYXOXGG-FQEVSTJZSA-N 414.466 1.155 30 10 HDEE COc1cc(C(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)ccc1C#N 1298756874 SLGHEXBGWSROQD-UHFFFAOYSA-N 420.469 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)N=S(C)(C)=O)cc1 1299032066 FHELXCVMPCJFTB-HNNXBMFYSA-N 413.521 1.010 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1300290330 MNWWAOKDVSSSNK-AWEZNQCLSA-N 421.461 1.327 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCCS1(=O)=O 1300321546 MJZVFVARIRLCDI-RDJZCZTQSA-N 404.540 1.565 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1300506154 NRESXQJOWMPTHB-AVRDEDQJSA-N 411.506 1.315 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1ccnn1 1300512591 YUQOMSCTCZISRN-UHFFFAOYSA-N 413.283 1.790 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1300529596 MLVDZDURSSESCE-QGZVFWFLSA-N 415.505 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1300595625 PJBRITUYZSWWBO-FDDCHVKYSA-N 424.501 1.869 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cnnn1C 1300657246 IOFSHHCTRMHSMI-UHFFFAOYSA-N 417.477 1.598 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NCC)CC1 1300895726 BCMNVYHNWZATTN-FXAWDEMLSA-N 420.558 1.054 30 10 HDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1301245544 DVCRZGRDKLXGAP-MRXNPFEDSA-N 412.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC2(CC1)CNC(=O)C2 1301506312 ISZUHTMVNJJXJC-UHFFFAOYSA-N 422.533 1.586 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1301615339 MDCHIPFGOODIFW-UHFFFAOYSA-N 422.580 1.265 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1303643411 UYPBYRMEPJGHID-KFWWJZLASA-N 419.530 1.875 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCN2CCCC2)cc1 1316532978 CWIVKYXEEWGILS-UHFFFAOYSA-N 409.494 1.151 30 10 HDEE C[C@@H](CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)CN(C)C(=O)OC(C)(C)C 1322734281 HOQRZVFPLTZDRW-ZGTROFRASA-N 409.487 1.315 30 10 HDEE C=CCCn1cc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(CCCC)c2N)nn1 1351120291 YHWRKXOQTOPOAE-UHFFFAOYSA-N 403.487 1.802 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1358950889 BBOPYXISWXLJMA-UHFFFAOYSA-N 419.533 1.584 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)NCc1ccccc1 1358952330 GWLSZEOETUSUSJ-UHFFFAOYSA-N 405.506 1.916 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCn2ccnc2C1 1358985996 LONRCLYBNABGJK-RBUKOAKNSA-N 410.522 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(CC)C2)CC1 1359043582 ZVJZTBHNHZJKMW-GOSISDBHSA-N 423.565 1.591 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@](C)(O)CCOC)CC1 1359045616 NVTWZSSQBZPJOP-OAQYLSRUSA-N 405.543 1.230 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359207151 ANSXEZJLCHDUSQ-UHFFFAOYSA-N 400.527 1.929 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1359281795 JNUWDFUCNMLWFY-INIZCTEOSA-N 412.556 1.514 30 10 HDEE Cc1nc(=NC(=O)c2cc(=O)n(C)cc2Br)n(-c2ccc(C#N)cc2)[nH]1 1360809473 BKVKFJZDQNEWHV-UHFFFAOYSA-N 413.235 1.583 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1438145354 APAUBRXJSCQEOS-QUCCMNQESA-N 420.531 1.977 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COc2cc(F)ccc2C1 1453635215 DWSLFPRDEXWBSD-LRDDRELGSA-N 403.435 1.484 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1454279022 GAYTWJOHRBPKAX-LBPRGKRZSA-N 416.507 1.394 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3cccc(F)c3)CCOCC2)cc1 1454685081 YWAXGWNGSRYFQD-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@]23CCCC[C@@]2(CN(C)C3)C1 1457326053 NPCUNLVQETWPMW-ZLGUVYLKSA-N 416.547 1.559 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F 1462872669 KPQVZLGMIJRYTH-VIFPVBQESA-N 416.830 1.565 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(C)(=O)=O)CC1 1463985739 FWYOEBHUZKJTPK-HNNXBMFYSA-N 403.545 1.776 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCCNc2ncccc2C#N)C1 1464504024 DNHPFLBTFZKNFQ-FOIQADDNSA-N 403.483 1.896 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)n1 1466384178 UXHDIJLOIRZVHA-GDBMZVCRSA-N 409.837 1.766 30 10 HDEE N#Cc1cc(F)cc(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1 1467157168 CHDSIFXDUMSIOW-UHFFFAOYSA-N 401.442 1.665 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@@H]1CCN(O)C1=O 1468372414 GIYVCYFWDFUCBE-ZBFHGGJFSA-N 402.451 1.710 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1 1469535807 SUSZFQFLUVGVQI-LEWJYISDSA-N 422.485 1.883 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCC(=O)N1CC(=O)Nc2ccccc21 1469872127 MBDHDYQZSUAWQH-IBGZPJMESA-N 406.442 1.816 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4cccc(F)n4)CC3)C2=O)cc1 1470032692 JXSNIUUHOCTNRS-GOSISDBHSA-N 422.464 1.725 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cnc(C(F)(F)F)nc3)CC2)c1C#N 1470787652 YNHANEVWKXZMTO-UHFFFAOYSA-N 408.388 1.441 30 10 HDEE C#CC1(F)CN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(Br)cc3)C2=O)C1 1471607402 ZROXGPCKHOBSTO-INIZCTEOSA-N 408.227 1.400 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n[nH]2)c1C 1472035100 ATFNOFFYEAQOEK-LIRRHRJNSA-N 414.491 1.086 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCN2C2CCOCC2)cc1 1475973174 FLVUBFPRDDLRRB-SFHVURJKSA-N 422.551 1.868 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(CC#N)CC1 1503279416 FCPXEGGIZBECJO-KRWDZBQOSA-N 424.571 1.979 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC(=O)N2)cc1 1505316979 MNZHPTAFCNUJRX-HUUCEWRRSA-N 420.395 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1CCN(CCN(C)C)CC1 1507537735 NSTLIBZJQQLMNQ-IBGZPJMESA-N 409.582 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1507647589 DZWOTHAAKVPOCG-SSEXGKCCSA-N 422.514 1.033 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1C(C)(C)C 1507658439 AXOCDSKMBIQFJY-UHFFFAOYSA-N 408.510 1.372 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1CCS(=O)(=O)CC1 1507671844 QTNWRCKZWWCFEY-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(C)CC2)CC1 1507740492 ANYIZCJJTPEZSO-ROUUACIJSA-N 415.538 1.768 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1507743893 MBHLTGYYVWDTFH-CABCVRRESA-N 416.555 1.690 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507747653 JOIHHCFTQDTOFN-QGZVFWFLSA-N 400.552 1.955 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1507791180 ISUWXANWQLIHRS-IKGGRYGDSA-N 400.483 1.224 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507876621 OGGWTVXBFWYWFS-GOSISDBHSA-N 400.527 1.929 30 10 HDEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507914496 JSVLMYDQIMFMTG-UHFFFAOYSA-N 400.527 1.685 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1507959586 FJPICXQAPOFRJF-INIZCTEOSA-N 413.482 1.339 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1507979002 YCXGREXQLKZNCM-INIZCTEOSA-N 423.521 1.535 30 10 HDEE CN(C)C(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1516968120 GNIDKQQBSKXSRF-GOSISDBHSA-N 420.477 1.338 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1530086856 QWBBLDQNSKQCGA-MRXNPFEDSA-N 405.520 1.259 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCc1ncccc1S(C)(=O)=O 1531301456 RFVVNXUVBBZRME-CYBMUJFWSA-N 410.496 1.688 30 10 HDEE N#Cc1cccc([C@H](NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)C(F)(F)F)c1 1533071946 BGFZCCASFIYHTI-AWEZNQCLSA-N 410.377 1.775 30 10 HDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1cccc(F)c1 1538308722 QUIVXXOHHBHWIO-XOBRGWDASA-N 416.478 1.974 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1538975918 FPZKVPDIUSZRJU-UTKZUKDTSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1C 1539148354 JXDOHKSUKYXIRP-HZPDHXFCSA-N 405.524 1.734 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539230939 MSTWNRCFUSCANN-IAGOWNOFSA-N 409.556 1.097 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H]2CCOC2)CC1 1539474770 XZZIZVXQXUUTJK-QGZVFWFLSA-N 423.517 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCSCC)CC1 1539480977 HWESVINJTGLZBW-KRWDZBQOSA-N 405.568 1.891 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539513090 HSSBTUQRDKCNEM-UHFFFAOYSA-N 411.597 1.772 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1539735300 MUEUAQVZKAASMZ-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1539758937 CIRBHYDWBMPGSD-OXJNMPFZSA-N 407.515 1.238 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CC1 1539889992 GGJBLMAHDFAKFR-SJORKVTESA-N 410.540 1.388 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1540033318 DXKYMRYGQVCYSN-YLJYHZDGSA-N 416.570 1.737 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1540862258 WQYIDRBYQPVYRU-HZPDHXFCSA-N 419.574 1.418 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540900771 HJUSKCGTHRWMSH-HNNXBMFYSA-N 420.539 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](OC)C1 1540907287 RDBVJIZIDFZTTP-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2 1543253020 LLZYOBLGAORQSF-OAHLLOKOSA-N 422.507 1.498 30 10 HDEE CCCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1547074669 QKZOBHHDUBKVKR-MAUKXSAKSA-N 412.560 1.835 30 10 HDEE CO[C@H](C)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1554606379 SVZSEDQSLPAPKI-CQSZACIVSA-N 405.462 1.834 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1COCCO1 1555746960 LNTYROMSNZSWQS-BOSXTWCSSA-N 405.499 1.548 30 10 HDEE C=CCOC[C@H](NC(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)C(=O)OC 1556375625 OEGWUFFHRBUKHI-KBPBESRZSA-N 402.513 1.589 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)Cc1cc(F)cc(OC)c1)c1cc[nH]n1 1556988687 PWGRFVPBGDASJZ-LBPRGKRZSA-N 406.414 1.589 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1CCC(=O)Nc1ccc(C#N)cc1 1559902714 DYLKOCMLWPZBNE-INIZCTEOSA-N 407.492 1.328 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CS(C)(=O)=O)C2)n(C2CCCC2)c1C 1560184943 POVFQWLNCRGYKD-QGZVFWFLSA-N 422.551 1.776 30 10 HDEE N#C[C@]12CN(CC(=O)N[C@@H](c3ccccc3)c3nccs3)C[C@H]1CS(=O)(=O)C2 1560193593 GNZBYLQRVHVSMO-VDZJLULYSA-N 416.528 1.219 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)n1 1562612960 BMIRXJMVIWLDGD-CQSZACIVSA-N 410.413 1.836 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)c1 1564924537 QANBGDNCTQBBSJ-UHFFFAOYSA-N 407.499 1.765 30 10 HDEE COC(=O)[C@@H](F)CNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1565343981 BHUXJVNNMXIDOM-HNNXBMFYSA-N 402.430 1.378 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1569184065 ISUGKVDLEQLDQA-VFNWGFHPSA-N 417.462 1.476 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCO[C@@H]1CC1(F)F 1583927669 YITQOVRMRCLRBW-DZGCQCFKSA-N 415.462 1.680 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)c1cccc(C#N)c1Br 1584881480 LGSBSUGZOBNRFW-GOSISDBHSA-N 408.296 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1587620497 GHKCVFAPNVSDOW-LSDHHAIUSA-N 401.467 1.659 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1587638417 DSYCPIJHVXWRSS-WFASDCNBSA-N 405.405 1.630 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1OC 1587798871 UTFADWXASAZVDC-UHFFFAOYSA-N 411.506 1.935 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1588053658 GTARIZMDJYSIKS-LSDHHAIUSA-N 414.478 1.597 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1588166844 RADVEWDKKLCHNV-GOSISDBHSA-N 408.506 1.556 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N(C)C 1588240717 BOPBCZXCYISYGL-UHFFFAOYSA-N 405.549 1.285 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1589089539 SRZDTVRNCXRKFF-GDBMZVCRSA-N 416.576 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595500654 APXYFQZXIFAKHW-QFIPXVFZSA-N 408.506 1.669 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1595776748 DZAJZCUNLXRXJI-SJLPKXTDSA-N 420.535 1.786 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1608580034 VRFWCEJEQCGEHW-IAGOWNOFSA-N 415.542 1.408 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)CCOc2ccccc2F)c(=O)n1C1CC1 1614827099 DOSOXNRPOXSDFE-UHFFFAOYSA-N 400.410 1.202 30 10 HDEE CC[C@@H](NC(=O)Cn1c(=O)c(C#N)c(C)n(CCO)c1=O)c1ccc(Cl)cc1 1614869769 WMTWWSLSQXHJRE-MRXNPFEDSA-N 404.854 1.103 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(NS(=O)(=O)CCC)CC2)c1 1615165505 VKGSQCHRYWDYHF-UHFFFAOYSA-N 406.508 1.110 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CC#N 1617387845 WVKHYHNCNSUIFG-LBPRGKRZSA-N 411.919 1.671 30 10 HDEE COCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1623265177 RCWMRYPOBSOFSP-ZGOJQLDESA-N 420.510 1.090 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC)c2sc(SCC)nc2C)CC1 1623499343 ZOEQIJBFRYFPDM-OAHLLOKOSA-N 408.593 1.951 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)ccc1F 1624219479 ODNOMYVDVINFOQ-CYBMUJFWSA-N 421.376 1.415 30 10 HDEE N#Cc1c(CCCNC(=O)C2=CS(=O)(=O)CCC2)nn(-c2ccc(F)cc2)c1N 1624381584 WNTMJLZNYARQER-UHFFFAOYSA-N 417.466 1.607 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1624818984 CKCOGMAWGFWVPP-PMPSAXMXSA-N 408.499 1.137 30 10 HDEE N#C[C@]1(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CCCOC1 1624826814 PAFGNMFDJHPZMO-LAUBAEHRSA-N 401.463 1.297 30 10 HDEE C=CCn1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nn1 1626497785 MUZOGOKPZMTPSO-UHFFFAOYSA-N 415.928 1.716 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)N3CCN(S(=O)(=O)NCc4ccccc4)CC3)c12 1628653965 XRXXMJOMIIUWTO-UHFFFAOYSA-N 423.498 1.832 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCCC1 1629553731 JPKJRANCWLQFDQ-UHFFFAOYSA-N 407.492 1.716 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1633899780 KEBRWUOUOHZWEB-AEFFLSMTSA-N 415.490 1.969 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC1CCCCC1)C(=O)OC)c1cc[nH]n1 1634093500 GXJIQPIKPIAPKD-OAHLLOKOSA-N 408.455 1.322 30 10 HDEE C#CCN(CC(=O)N1CCC(c2nc(C(=O)OCC)n[nH]2)CC1)C(=O)OC(C)(C)C 1634367796 LSQGDTBJSVCDEU-UHFFFAOYSA-N 419.482 1.558 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@](COC)(C(=O)OCC)C2)c1 1634781476 YNHITXWZQYMOFF-NRFANRHFSA-N 421.515 1.916 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccc(O)nn2)cc1F 1634796537 LSOGWRSUIXIYKV-MRXNPFEDSA-N 401.373 1.643 30 10 HDEE O=C(Cc1ccccc1S(=O)(=O)C(F)F)NC[C@H](O)C(F)(F)C(F)(F)F 1636671477 SXUGPTMRUQDGES-VIFPVBQESA-N 411.295 1.900 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)ccc2c1=O 1637479360 FTBGZIASGIKVLC-ZIAGYGMSSA-N 419.528 1.378 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1637976236 OOBGTDBRAMLZOL-LEWJYISDSA-N 415.538 1.030 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4nc(C)cc(O)n4)C3)cc2C1=O 1638200126 SDYVQZMFUMMHPO-CQSZACIVSA-N 407.430 1.281 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1=N 1639261763 BVMAFCCJNBHUAB-IUODEOHRSA-N 413.869 1.469 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(I)ccc1N)C(=O)OC 1639558859 QBZOJHVXANEUOD-LBPRGKRZSA-N 404.204 1.347 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCn2cc(Br)cn2)c1 1640326902 WVWDWDXNPHUTTN-UHFFFAOYSA-N 410.293 1.873 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1641730811 VTALPZULNBGXOJ-UHFFFAOYSA-N 401.488 1.902 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1642069306 CVKNIMRYNPUZRR-SJLPKXTDSA-N 408.545 1.903 30 10 HDEE C[C@@]1(C(F)F)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCO1 1643905453 PVOXJAVWBHDNSO-PXNSSMCTSA-N 410.440 1.891 30 10 HDEE COC(=O)[C@@H]1CN(C[C@@H](O)c2ccc(C#N)cc2)CC12CN(C(=O)OC(C)(C)C)C2 1644661817 MBIMAZPOVVSBBX-ZWKOTPCHSA-N 415.490 1.934 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1[C@H](CO)CC[C@H]1CO)CCCC2 1646476599 BNZMKASCSLZAOC-ULQDDVLXSA-N 416.522 1.174 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](Cc2nccs2)C1 1647818082 SSZPSZKXIVYYPF-UKRRQHHQSA-N 404.517 1.773 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)c([N+](=O)[O-])c1 1652818161 GJRFMRHERMGKIH-HNNXBMFYSA-N 422.507 1.565 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)c1cccc(C#N)c1 1654984084 FKCBYGPSLSUJDD-FZKQIMNGSA-N 402.476 1.198 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C[C@@H](F)C[C@H]3C2)CC1 1655001214 BVLGPYNJGTUKLY-UFYCRDLUSA-N 403.477 1.263 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(C)c1 1657701315 IGERYRGSFUVIIJ-OAHLLOKOSA-N 415.471 1.766 30 10 HDEE CCOC(=O)c1ncn(C2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)c1N 1658240415 DDOARJSSENAFIG-GOSISDBHSA-N 422.489 1.956 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(C)c(I)c2)nn1 1664571267 XCYDASMHUCPAPL-UHFFFAOYSA-N 418.260 1.856 30 10 HDEE Cn1ccc(C2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 1672353074 NJKRGTBOWLVGSJ-HXUWFJFHSA-N 406.490 1.982 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)N3CCCC3)CC2)cc1 1676362557 KGVCCOYIDALKDA-UHFFFAOYSA-N 406.508 1.537 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1689875017 IFLILWKLLXNTFJ-NVXWUHKLSA-N 424.571 1.044 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)c(OC)c2)CC1 1690120576 ZLBLEGNXKSRNIE-UHFFFAOYSA-N 419.489 1.556 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@]2(OC)CCOC2)CC1 1690150445 HVCMXSYYOLNNLH-NRFANRHFSA-N 401.511 1.002 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690629979 OCPWZCITJGVGLQ-DGCLKSJQSA-N 405.300 1.947 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1690673027 LREVBDNZNHGOJT-HNNXBMFYSA-N 400.458 1.012 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1691002062 VCNSVBGXFVWBSB-AEFFLSMTSA-N 400.531 1.511 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCC(=O)N1 1691157915 GNXXDMXCWFEFPJ-OAHLLOKOSA-N 409.494 1.680 30 10 HDEE CC(C)N1CCC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1692486046 GOSLERJWDBUYBP-SFHVURJKSA-N 407.522 1.873 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1693822584 LLUYLVNARYCHTO-IWAYJWFOSA-N 421.505 1.883 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1695499673 KNRKRNXAGSYYHA-NRFANRHFSA-N 407.478 1.154 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1697381094 DVYVSVJAFOZHOI-GOSISDBHSA-N 408.466 1.444 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C1CC1 1698168466 MLXPARIVQYKXJC-CABCVRRESA-N 412.498 1.714 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)C1 1698311280 POPXHVMICPIHOM-DLBZAZTESA-N 422.555 1.194 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)[C@H]2CCCO2)c1 1705540823 OMVGCNBJVCNYKZ-GOSISDBHSA-N 424.505 1.652 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1705574657 JRDDBFJCWRTZPM-IPJJNNNSSA-N 416.522 1.443 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccc2c[nH]nc2c1 1705626766 IRHRFICXCLPRDW-UHFFFAOYSA-N 402.462 1.940 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCCn2ccnn2)CC1 1705641034 NXKKPVSRHATRBT-UHFFFAOYSA-N 420.521 1.315 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2nncn2C)CC1 1705642931 MSGXUJYCQYBADC-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)NC 1705675222 IVFBJVAMPKAZAU-HXUWFJFHSA-N 417.535 1.419 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705825259 OGNUBRPHBIQGHH-JKSUJKDBSA-N 404.515 1.066 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1705847902 BCSRHUXUKSVASU-HXUWFJFHSA-N 420.535 1.646 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1705887349 ZVKFAUBYVIKVFQ-SNVBAGLBSA-N 419.433 1.310 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1706077177 GLFYTPWGLNIXBN-INIZCTEOSA-N 403.531 1.107 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F)[C@@H]1CCOC1 1711026698 UIPAJZHEAWGVSA-CQSZACIVSA-N 408.384 1.720 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1711982894 VCHJHJNVQOINFB-KRWDZBQOSA-N 401.467 1.005 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](COC)C1 1722320828 LPFNHJCYKGZBAX-MRXNPFEDSA-N 417.535 1.925 30 10 HDEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1722346294 OFNYCSDVXOSBPK-LJQANCHMSA-N 400.460 1.310 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC1CC1)[C@H]1CCS(=O)(=O)C1 1722370651 PSLIEGLSDFGTQD-ZWKOTPCHSA-N 422.551 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCOCC1 1722385640 JGGCJEVXWFTYLQ-LJQANCHMSA-N 423.517 1.659 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1C[C@H](C)O[C@@H](C)C1 1722389626 KXBJHDXJOCTQGT-ULQDDVLXSA-N 421.567 1.555 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cnn(CCOC)c2)CC1 1722448710 XSISWLQWGMILNT-UHFFFAOYSA-N 411.510 1.013 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1722672081 JSONTQXAPHUFNX-MGPUTAFESA-N 419.551 1.370 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCC2)C1 1722719910 CAKCXSNXOPZUPL-QGZVFWFLSA-N 402.543 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)c1ccc(C)cc1 1722727187 MSAHHKRWSMBQPL-INIZCTEOSA-N 403.508 1.906 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccnc1OCCOC 1727608122 HOPCGTCUUCNEOV-GOSISDBHSA-N 411.510 1.486 30 10 HDEE CCOC[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1729116054 LMAGOIBHKXWSEX-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1730481503 QCDVUHARNPSLSF-PXNSSMCTSA-N 401.442 1.797 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCOC2CCOCC2)CCO1 1731190996 XBHBACDHMHUNOR-ROUUACIJSA-N 405.499 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCCNS(C)(=O)=O 1740608261 DKDBEWIHPPNAGK-UHFFFAOYSA-N 414.491 1.609 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740622826 JBGRZRUZCHOBTL-WMZOPIPTSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1740627237 OTBTWXUVRGCDLY-RCCFBDPRSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1740633021 SKOYNJJIYYZREH-QFIPXVFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](OC)C1CC1 1740639977 YIEVYECIDDQCPM-FQEVSTJZSA-N 419.533 1.950 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740753814 OMJKKSRCKDSPEM-QUCCMNQESA-N 404.559 1.558 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740958069 HWMANYPBYVTXJB-INIZCTEOSA-N 418.542 1.517 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@@H]1C 1741127699 GYDGUZXMRTZJLT-PZPWOCDFSA-N 413.478 1.852 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCOCC(F)F)cc1OC 1748669235 CFCRMOIVDVORJE-AWEZNQCLSA-N 423.420 1.973 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1748730692 PHQQKSFPFZEXBK-UHFFFAOYSA-N 424.553 1.373 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1748748219 VOWGBOZCXPZCMZ-INIZCTEOSA-N 401.515 1.226 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(OC)CCOC1 1749051406 HQBCUDGWLRJBPH-NHCUHLMSSA-N 403.527 1.994 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749352303 KQOZQBCBJZBCMQ-MRXNPFEDSA-N 415.542 1.672 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1749465689 WCAZGRMHLKNOAM-AUUYWEPGSA-N 405.524 1.345 30 10 HDEE Cc1nc(CCn2c(Cc3csc(C)n3)nnc2N2CC[C@](F)(C#N)C2)n[nH]1 1751791024 CETNFFGFURASIY-KRWDZBQOSA-N 401.475 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)NC(C)(C)C 1760208779 JMQMZGGQUUCUFV-UHFFFAOYSA-N 414.554 1.964 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1760352540 ZQNGPDJOIIZRNY-UHFFFAOYSA-N 424.505 1.880 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1760504936 GMVGXTCEWXHRHB-MRXNPFEDSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1760548747 OJEDTNQAQYWDJX-INIZCTEOSA-N 411.572 1.697 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1769295777 YYPXGEOWHXFINH-LSDHHAIUSA-N 405.430 1.579 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCS1(=O)=O 1769845071 GNPMWRVDYVLQIO-HZPDHXFCSA-N 411.528 1.116 30 10 HDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCC2)CC1 1771535933 DFTDFJREXGBIRV-UHFFFAOYSA-N 400.508 1.925 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC(F)(F)CO1 1771544702 WIADFEQJMJEOPU-HNNXBMFYSA-N 408.453 1.955 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@H]1CCOC1 1772792387 AKEJAFFVOPWYJE-WFASDCNBSA-N 404.419 1.918 30 10 HDEE CCN1CCN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C(=O)C1=O 1849970274 VJIRCGIQMFFGBF-UHFFFAOYSA-N 405.458 1.540 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(Cc2cc(F)cc(F)c2)C1 1850796541 YQFFXZJWOLITPK-GFCCVEGCSA-N 419.409 1.579 30 10 HDEE CC1=CC(C)=NS(=O)(=O)N1CC(=O)N=C1C[C@H](C)N(c2ccc(Cl)cn2)N1 1852008110 DDYGSWZAUAUNKR-LBPRGKRZSA-N 410.887 1.688 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1=O 1853828301 KFHZOSRUNXGVGI-ROUUACIJSA-N 414.506 1.719 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)C2CC3(CCOCC3)C2)C1=O 1854082471 QTEKGMCNPMWPKR-OALUTQOASA-N 417.550 1.820 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc43)C2=O)C1 1854270844 BZEKQMDZMDEDFD-UYAOXDASSA-N 402.454 1.874 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccncn4)C(=O)C3)C2)c(F)c1 1854319109 OGZLITXPFPHLJR-QGZVFWFLSA-N 408.437 1.046 30 10 HDEE Cc1ccc(N2CCN([C@@H]3CCCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)nn1 1854334920 PUJOZYKEPQZCPY-LJQANCHMSA-N 404.474 1.610 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2sc(C)nc2C)C1=O 1854351751 JUQCZDBAMSBVLV-HZPDHXFCSA-N 404.536 2.000 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)C[C@H]3CCCCO3)C2=O)C1 1854871523 ZOIKZBMSYAGNLT-APWZRJJASA-N 412.490 1.883 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1854997396 YIWSHBBRGZESCJ-ROUUACIJSA-N 403.523 1.287 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1855042477 ZGWLICJQQRLPSL-CVEARBPZSA-N 402.520 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1855075857 UISCIZAJYRLSDA-SJORKVTESA-N 416.522 1.997 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1855552278 CCKFXBMDCCJQPD-KRWDZBQOSA-N 405.520 1.334 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C(=O)C1 1856381922 XDKLBAVZSZTCRQ-OAHLLOKOSA-N 409.483 1.743 30 10 HDEE CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(CCCC#N)C2(CCCCC2)C1=O 1856522111 QNMNJQFCAKGUKB-INIZCTEOSA-N 410.540 1.088 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC4(CC3)C(F)(F)C43CC3)C2=O)CC1=O 1856773602 VYBJAOSNFHJISB-HUUCEWRRSA-N 407.461 1.660 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CCc3ccc(F)cc3)C2)CC1 1857025997 FKGFFJVGLRNRJR-KRWDZBQOSA-N 421.494 1.699 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccnc3O[C@H]3CCOC3)C2)CC1 1857205491 JUJOVMGSJLREPS-ROUUACIJSA-N 412.490 1.864 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cccc(Cl)n3)cc2C1=O 1870154772 HXVTWKAMWXAQEK-UHFFFAOYSA-N 407.777 1.665 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707555 XZOHJDRUBWJWFG-ZDUSSCGKSA-N 415.454 1.347 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 1885923292 JVOBSSRRKYTFJD-ZIAGYGMSSA-N 401.504 1.848 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)COCc3ccccc3)CC2)CC1 1890191590 RSGNZVXIBATXSO-UHFFFAOYSA-N 413.562 1.852 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C(N)=S)C1 1914882095 MRVIOFUKKIVSHP-CQSZACIVSA-N 418.382 1.697 30 10 HDEE C#CCC[C@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2041206159 HDUVLJGZYFKXMY-INIZCTEOSA-N 406.460 1.239 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 2044594837 SXRFYFZRKMDOJS-UHFFFAOYSA-N 400.460 1.784 30 10 HDEE N#CCc1cccc(C[S@](=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074696807 USNMVWKQWIFGOB-UULLZXFKSA-N 401.444 1.776 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)c3ncncc3Br)nc2)OC1(C)C 2102371716 JYQWYDFJIDZTQV-UHFFFAOYSA-N 406.049 1.581 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC[C@H](O)C2)CCN(C(=O)OC(C)(C)C)CC1 2174805242 RHNOLGJGPWEYJJ-HNNXBMFYSA-N 403.545 1.623 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@H]21 2199771933 BLLVZWJVGGRFFJ-LPWJVIDDSA-N 402.513 1.679 30 10 HDEE Cc1cc(C#CCO)c(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)s1 2237675132 MTUWBCFCPOOVNC-UHFFFAOYSA-N 406.529 1.636 30 10 HDEE CON(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2243387540 WDVQKUQNHWMVLP-UHFFFAOYSA-N 410.280 1.237 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1 2247829685 MSBZJTAUHQPGJK-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3ncon3)cc2Cl)OC1(C)C 2267354039 GRMIZVHMQDUWQP-UHFFFAOYSA-N 405.694 1.562 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371090 VJWGUUHDMFVNKB-VXGBXAGGSA-N 405.372 1.456 30 10 HDEE CCc1nc(C(=O)N2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)s1 2267489854 XNGZQUPQTYRFFQ-UHFFFAOYSA-N 408.329 1.984 30 10 HDEE CN([C@@H]1CC[C@H]1N)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704463 OAYBGWJDHFCHQF-GHMZBOCLSA-N 406.766 1.811 30 10 HDEE CC1(CNS(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)OCCO1 2267724310 HOKPUPNWRSXTKB-UHFFFAOYSA-N 419.255 1.305 30 10 HDEE Cc1ccc(C#N)cc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270535901 OAVWZHVSJJXPSQ-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](N)[C@H]1C 2282304552 LXJRKNFAGGETEZ-DGCLKSJQSA-N 400.375 1.856 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H](O)C1(C)C 2282323342 ZFWCUXKOVMWTPN-OLZOCXBDSA-N 401.359 1.793 30 10 HDEE CN1CCC(C)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282332456 BDJPAPSMRVKVLE-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE COC[C@]1(F)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282333371 NMQJHUWIVXMQNO-INIZCTEOSA-N 405.322 1.796 30 10 HDEE C[C@@H]1CNC(C)(C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336053 XUZKVYASVSCQNK-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCN3CCC3)ccc2Cl)OC1(C)C 2282489437 GNSGSYIJUPMKIW-UHFFFAOYSA-N 400.737 1.623 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CO1 2282492644 PVRXAENQXKKPPR-NEPJUHHUSA-N 402.347 1.381 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCN[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282504752 TYILUGUWAREVNZ-GWCFXTLKSA-N 400.375 1.693 30 10 HDEE CCN(CCSC)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282505274 AWAOYYZYJQAXQP-UHFFFAOYSA-N 403.379 1.401 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@@](C)=O 2282507298 FRWKTJCNJMWBKG-ZJWNCGCPSA-N 401.359 1.172 30 10 HDEE Cc1nc(C(=O)NC2CC(S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282510056 UBBPDJSWDGNUDZ-UHFFFAOYSA-N 400.331 1.056 30 10 HDEE CCc1nc(C(=O)N=[S@@](C)(=O)C[C@H](C)N)c(B2OC(C)(C)C(C)(C)O2)s1 2282524038 GVFWPFRLPSRXLX-ZHZWEUQESA-N 401.363 1.590 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCCC3(CO)CO)c2Cl)OC1(C)C 2282646718 RRRKVXWNEMNEBE-UHFFFAOYSA-N 401.721 1.660 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282690041 PHUUMALRGOEUHE-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)O1 2282829395 DLYVFEHSOMCVLG-RYUDHWBXSA-N 402.347 1.381 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CCN 2282855171 ANIPSAHSSQNWFN-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCC(=O)O)C2CC2)OC1(C)C 2284400651 XKZKPJGNADXWQK-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365203972 WHKNQOMCIYOKRM-LJQANCHMSA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213802 WTNVFZVHZMOMCL-XAUUPUKJSA-N 402.557 1.586 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@H](F)C2=O)OC1(C)C 2365707272 LTRLUNQDWMWQSS-LBPRGKRZSA-N 403.668 1.898 30 10 HDEE Cc1cc(Cn2c(O)nnc(Br)c2=O)cc(B2OC(C)(C)C(C)(C)O2)c1 2369724789 PAGZAJGQFUZEFR-UHFFFAOYSA-N 422.088 1.762 30 10 HDEE Cc1cccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1 72443885 KHHCFNXAORLFCT-CABCVRRESA-N 406.446 1.004 30 10 HDEE Cc1nn(CC(=O)NCC/N=C\c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)c1[N+](=O)[O-] 101585035 OAWVYTAHABYHNU-WSVATBPTSA-N 418.366 1.280 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)C[C@H](O)C(C)=C[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 299807120 QGXSKKOWDFZPIV-SGPPSUSTSA-N 420.458 1.762 30 10 HDEE in-vitro Cn1cc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C#N)cc3Cl)CC2)cn1 426142524 IEGBWJATRGLKEY-UHFFFAOYSA-N 422.898 1.920 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)c(F)c1 440062521 NYJHTVLKPOXIEQ-UHFFFAOYSA-N 403.435 1.691 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cn(-c4ccc(OC)cc4)nn3)cc2C1=O 446298505 OCBYVJNRUKQKJT-UHFFFAOYSA-N 417.425 1.988 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N(C)CC(=O)N1CCOCC1 460953070 SBSSXDWTBLWSPU-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE C[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(=O)(=O)C1CCOCC1 473440203 ZPFCVPLJPUWVJH-HNNXBMFYSA-N 406.504 1.910 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(C[C@H](O)COc3ccc(CC#N)cc3)C2=O)C(C)(C)O1 480393381 DHYTYSMVLCXGJI-YCRPNKLZSA-N 401.463 1.760 30 10 HDEE CS(=O)(=O)c1ccc(OCCNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481065800 YHGZNTMMTKHMML-UHFFFAOYSA-N 412.464 1.599 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCc3cnc(C4CC4)nc3)C2=O)cc1 486487101 AYOQGRVNCZZGIM-LJQANCHMSA-N 404.474 1.868 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccc2ccc(=O)n(C)c2c1 489578895 FOPUFJMOHFKYOM-CQSZACIVSA-N 403.446 1.943 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1=O 489986346 PTGUAZYFROGKND-SJORKVTESA-N 423.477 1.041 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COc2cccnc2C#N)CC1 526020257 XHDZDYRGUOWATP-UHFFFAOYSA-N 407.474 1.732 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(CC#N)ccn2)C1 532180691 VHSPCACECRZXGQ-OAHLLOKOSA-N 403.464 1.792 30 10 HDEE Cc1nnc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 546106886 XORCWDVXTDRIRF-GFCCVEGCSA-N 420.520 1.495 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 549690550 VCKFKNWTCPDPAG-GDBMZVCRSA-N 423.543 1.259 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553540009 BONVQZPRXZGDKC-IPYPFGDCSA-N 404.442 1.096 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCOC1 559214066 BUFCJDZMDVEQQX-GJZGRUSLSA-N 403.508 1.981 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2cc3c(cc2Br)OCCO3)CC1 565914106 MFIOAJVIAGGUPU-UHFFFAOYSA-N 408.252 1.347 30 10 HDEE CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 609257056 QMLLKTMRZNOZDZ-UHFFFAOYSA-N 423.448 1.340 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 609507778 SRHDFGZBCKSNEG-PKOBYXMFSA-N 423.535 1.566 30 10 HDEE COCCN1CCC[C@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609557367 YPALKORXVDZYNC-INIZCTEOSA-N 402.499 1.366 30 10 HDEE N#CCc1ccc(OC[C@@H](O)CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1 610371551 TZKFFXNTOADZMT-FPOVZHCZSA-N 401.507 1.596 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(F)c(I)c(F)c1 611548469 XUCNTRYYPSBBAA-UHFFFAOYSA-N 410.158 1.827 30 10 HDEE C=C(C)Cn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 670208756 MBTRKNMAIRMTDU-LJQANCHMSA-N 410.522 1.741 30 10 HDEE Cn1cc(CNCCN/C(O)=C2\N=CC=CC2=O)c(-c2ccc3c(c2)OCCCO3)n1 733333061 HCKASXAMOSJPSQ-QURGRASLSA-N 423.473 1.864 30 10 HDEE N#Cc1cccnc1NCCNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 735497114 CZXQVIIYVMRIPZ-UHFFFAOYSA-N 415.475 1.306 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 741340827 HKALKIOZCOHBGC-GRHAWAECSA-N 416.478 1.765 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1c(F)c(F)c(F)c(F)c1F 746468608 DYEKFWXSVJTDPD-WYMLVPIESA-N 411.308 1.187 30 10 HDEE Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)c1 748063761 ANASZGZBEGHVAO-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3ccccc3F)c2=O)cn1 748064440 RUBWAWRNBBPJLS-UHFFFAOYSA-N 408.458 1.644 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 756888482 WOSSFPBQVVXGGZ-IRXDYDNUSA-N 416.526 1.507 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 758487433 ZCKXGKUMJGDDDZ-AFMLGWFNSA-N 423.395 1.551 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)cc1 772926690 URMYICDCZPKBBO-HOCLYGCPSA-N 407.492 1.195 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1)[C@H]1CCS(=O)(=O)C1 774220226 KIUPBBLNKNYGEK-MSOLQXFVSA-N 407.511 1.935 30 10 HDEE COc1cc(C(=O)CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc(OC)c1OC 776972422 BFAGCWRHRVXAHX-MRXNPFEDSA-N 401.463 1.874 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 781598504 YKCBPTRMCSZQFL-HNNXBMFYSA-N 421.475 1.797 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCOC3=O)cc2)CC1 783019270 ZOPNWPXGUSQFCG-UHFFFAOYSA-N 406.446 1.942 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccnc2N2CCOCC2)n1 788862118 OMTNBFKODIEGAV-UHFFFAOYSA-N 412.494 1.106 30 10 HDEE CS(=O)(=O)CC[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)c1ccccc1 789389764 VKDMNHHDDGHPHB-GOSISDBHSA-N 420.512 1.723 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 798433125 WQCGDSTVPHAWGG-GXTWGEPZSA-N 400.294 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)C1 807511233 IHPZQEMMERRDBR-JKSUJKDBSA-N 417.514 1.971 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 809917015 BGLLVTUEEZXSJJ-INIZCTEOSA-N 420.514 1.441 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)CC[C@H]2C1 814403569 YNZKUMXICQWUQF-OWCLPIDISA-N 414.528 1.034 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)[C@H]1c1cccnc1 1127888790 SUNZHLLHAVSKEP-UXHICEINSA-N 420.404 1.815 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)cc1 1132607572 MBGLIDYDOLCNAK-INIZCTEOSA-N 407.492 1.194 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)n1cnc(C#N)n1 1133009213 XEXYJCSIMAPNRJ-ZANVPECISA-N 403.240 1.543 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1138972528 PMSSUUZPQJPZAT-UHFFFAOYSA-N 417.263 1.511 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 1140718740 HZDSNYDUTRRTFU-HPFXQQBRSA-N 404.536 1.302 30 10 HDEE Cc1ccc(C(=O)N[C@](C)(CO)c2ccc(O)cc2)cc1S(=O)(=O)NCC#N 1143492229 NMFLMSHDRHSFAO-LJQANCHMSA-N 403.460 1.140 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2cccc3c2OCCO3)c1 1156641138 YJZTURQFEQFLKE-UHFFFAOYSA-N 404.419 1.867 30 10 HDEE C#CCC1(NCC(=O)NCC(=O)Nc2ccccc2Br)CCOCC1 1176261829 DUBUOAKZFWVXNR-UHFFFAOYSA-N 408.296 1.666 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(F)cc(Br)c3N)C[C@H]1CS(=O)(=O)C2 1178757630 UZCJYRUEEJIUTG-RTHLEPHNSA-N 402.245 1.181 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OCC)C[C@H]1CO 1180244851 RFUOUMVDQXNSIE-HRCADAONSA-N 413.515 1.801 30 10 HDEE C=CCn1cc(CNS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)nn1 1191582618 HLSWFUWOSWXPPI-QGZVFWFLSA-N 419.507 1.542 30 10 HDEE COc1ccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)cc1C(N)=O 1193304924 BGSRUGALCQMISB-UHFFFAOYSA-N 414.487 1.613 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CCOCC1 1213765990 QPOUARLTQLFCNV-UHFFFAOYSA-N 419.272 1.538 30 10 HDEE COc1cc(CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)ccc1C#N 1227900915 FQWFIMDHWYYIER-KRWDZBQOSA-N 423.539 1.321 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC([C@H](F)C(N)=O)CC3)CC2)c1 1230535882 SAKKTXNJVGSYHA-IBGZPJMESA-N 401.486 1.768 30 10 HDEE Cn1ccnc1[C@@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1252584904 LRJCCIVGHSARJJ-SQGPQFPESA-N 413.503 1.284 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C(C)C 1286370153 GWVUBDCDQMPEOM-MRXNPFEDSA-N 404.540 1.979 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2COC)CC1 1286478817 GTEGPBWAXNYKPW-IBGZPJMESA-N 408.506 1.179 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ccn(C)n2)CC1 1286484851 YJCKFGMCWDUVSA-UHFFFAOYSA-N 409.469 1.533 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@](C)(C(N)=O)C1 1286568510 ZWYVIYONEWYZTP-LZNRXBQRSA-N 410.522 1.947 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1286722476 KEZPVGOWTMNPPO-UHFFFAOYSA-N 424.505 1.839 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286758486 OOAMVTAVPOOUDR-UWVAXJGDSA-N 422.551 1.697 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1286785100 DTBYMJUILCLQCI-INIZCTEOSA-N 413.482 1.357 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](CC)O[C@H](C)C1 1286817097 PRFPVBSOVMSIBP-CVEARBPZSA-N 405.524 1.945 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1288518025 REUWDABQFPCOSY-ZBFHGGJFSA-N 424.484 1.900 30 10 HDEE CCc1nnc(N2CCO[C@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1293157469 ZXWKAWRCIPGDRD-RUNIHZNKSA-N 412.450 1.538 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCCN1CCCO 1300315346 VSSINWCAZRYUGI-UYAOXDASSA-N 421.549 1.821 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300357295 LTCNUWZLQLOORC-KSZLIROESA-N 402.543 1.578 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCCC1 1300459620 DHVBIXWSAMATJL-UHFFFAOYSA-N 402.524 1.613 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1300537365 FXASPVOJQQMHPK-CEXWTWQISA-N 417.579 1.373 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1300548819 PRXDLUMYWKVJKU-LJAQVGFWSA-N 407.499 1.713 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2C)CC1 1300683545 PMXMHTUCWHMHHA-QGZVFWFLSA-N 416.551 1.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N(C)C[C@H]1COc2ccccc2O1 1301490935 IUMZHPNGUNZKOM-KRWDZBQOSA-N 420.473 1.919 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301506034 FPXFOEYGDWBDAQ-FUHWJXTLSA-N 412.513 1.983 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)C1 1301536738 ZMQJLWXOVBYENB-DLBZAZTESA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301585585 CXKUSCOZYVQCMR-MRXNPFEDSA-N 423.583 1.669 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301586447 SYCNLJKACBOQJT-OXQOHEQNSA-N 424.567 1.921 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1301982173 PDRXYQJDODZUAN-SQGPQFPESA-N 420.583 1.933 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)ccc(F)c2Br)CC1 1302924391 LUCOQERAMRFFKE-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 1303011196 DYYSIQZRFXXIQA-IAGOWNOFSA-N 407.540 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@]12CCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C2 1303953170 IEFZMOQSPQLGDT-FQEVSTJZSA-N 417.466 1.213 30 10 HDEE Cn1nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1Br 1306893623 YWHZGIMEOWWKQJ-UHFFFAOYSA-N 407.224 1.700 30 10 HDEE C#CC1(O)CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1311513075 NAQPCQQBBJNHOU-UHFFFAOYSA-N 405.520 1.318 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1312487111 VNDBDMVXEXAQTA-MOPGFXCFSA-N 417.469 1.941 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@H]1C 1316135790 SDWMAILDECPVLK-SJORKVTESA-N 414.510 1.842 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)C1 1316526757 QQOBQRVRGYTNKO-FQEVSTJZSA-N 417.489 1.262 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1 1318074135 NORPEFWZVDDFHL-IAGOWNOFSA-N 408.433 1.511 30 10 HDEE CC[C@H](C#N)Oc1cc(CNS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1OC 1318472829 ZCEJORYTTQCVNE-CQSZACIVSA-N 416.521 1.373 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1320349579 AEZQEVGLIUBGGK-NVXWUHKLSA-N 424.519 1.032 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3CC(F)F)C2=O)cc1 1324375639 QOYSXOCESSCUCU-LSDHHAIUSA-N 406.389 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1358888581 PCCHIHDLLOMJHS-OAHLLOKOSA-N 408.506 1.657 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1358917955 GVKSNGJAJNRMAB-HKUYNNGSSA-N 403.527 1.864 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1358930615 ZCAXKYMBYDXMGT-IAGOWNOFSA-N 419.551 1.185 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1C[C@@H](C)C[C@@H](C)C1 1358939575 ZHROUSQYIJUUFF-KSZLIROESA-N 424.615 1.716 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CC[C@@H](F)C2)CC1 1359043595 AJAJVKNWZNUDCR-CRAIPNDOSA-N 413.501 1.783 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1359057918 MMIUEVXBRJUOKH-MRXNPFEDSA-N 408.593 1.860 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359126804 ZJUNGDDNNAXNHT-INIZCTEOSA-N 422.530 1.724 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC(N2CCNC2=O)CC1 1359130768 VQGWFSIJWQPGBZ-UHFFFAOYSA-N 411.510 1.927 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1359177334 IYDVINVQZBXAMV-INIZCTEOSA-N 402.524 1.962 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1359221624 IEMULHQDWPNJRY-UHFFFAOYSA-N 418.542 1.554 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc2n1CCC2 1359233776 QNOYBJDNZWHAMR-UHFFFAOYSA-N 413.507 1.557 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 1360174910 SSBLMUCQWAZIRN-XLIONFOSSA-N 401.507 1.904 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1435716857 UDNZWKBFZSVNQS-UONOGXRCSA-N 402.517 1.066 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CCNC2=O)CC1 1443671633 UPKOYNTUIVQTLN-GOEBONIOSA-N 405.296 1.684 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C3CCC3)CC2)c1C#N 1447777452 FWPUTAVEYSTAGZ-QGZVFWFLSA-N 416.526 1.942 30 10 HDEE N#Cc1cn(CC(=O)N(CCn2ccnc2)Cc2cccc(Cl)c2)c(=O)nc1O 1448619311 FVMDRAQASLDBTJ-UHFFFAOYSA-N 412.837 1.399 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1449511604 VQMRNPMRMWOCQZ-HUUCEWRRSA-N 418.560 1.410 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1451972709 LTBCGWJWXYPCQU-NEPJUHHUSA-N 409.372 1.137 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 1455512012 HRCATVBFIXLQJM-NRXGSXMXSA-N 405.476 1.169 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2ncnn2C1 1462401190 HXDLFLBYFYQTDE-AWEZNQCLSA-N 414.491 1.233 30 10 HDEE Cc1nn(C)c(Sc2ccccc2)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1462998547 NRUIUPNIYYYQLT-LIRRHRJNSA-N 416.528 1.890 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1464300129 IOKMXIBJCZNPQC-QZTJIDSGSA-N 424.544 1.403 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1464582100 OZUBVZGQFYOBTE-KTKRTIGZSA-N 417.443 1.737 30 10 HDEE CC1=C(C)C(=O)N(CCC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1464745426 IIEYAWLSJLREBU-UHFFFAOYSA-N 417.469 1.850 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cc(C(F)(F)F)n(C)n2)c1 1464768114 QWPCVVSACGRDDS-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE CN(C)C[C@@]1(O)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1467711401 MWRIAZQVLPCUSC-YECRBCFNSA-N 420.554 1.688 30 10 HDEE C#C[C@](C)(CC)NC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1468172137 CBEQYGCBKRYQHW-HRAATJIYSA-N 419.547 1.988 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)c1 1469878759 HJQDXNJSJMFCMD-CYBMUJFWSA-N 408.398 1.765 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 1470769804 ZQJLFQSEVPUPDL-HOTGVXAUSA-N 409.939 1.998 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC1 1470774792 FGRNECGHICBSML-MHZLTWQESA-N 406.405 1.840 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1471522350 WXSFTRSOXOBIAB-HZPDHXFCSA-N 404.511 1.652 30 10 HDEE COCC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC 1475359379 CERIJLXCGCHIQI-NSHDSACASA-N 409.233 1.316 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 1475476879 IFPNFIFDLOEVSZ-UHFFFAOYSA-N 410.462 1.446 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)COc1ccc(C(F)(F)F)cc1 1478282556 HEHJHTCSWQSLRG-CYBMUJFWSA-N 410.414 1.345 30 10 HDEE CCc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1498769110 DMZDDJBCFSLXMG-KRWDZBQOSA-N 407.478 1.869 30 10 HDEE CCO[C@@]1(c2nnc(N3CCNC(=O)[C@H]3CC)n2Cc2ccc(C#N)o2)CCOC1 1502729165 LRGPCJVQGXGQBT-UZLBHIALSA-N 414.466 1.158 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1504648591 ORTQYEUNCRWBLO-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCN(CC)CC1 1507520343 YSNJQAVLHVEEAE-UGKGYDQZSA-N 418.586 1.416 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1507639441 YECNLUJRWHRFFU-ZDUSSCGKSA-N 424.445 1.368 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1507710835 LAKZRYAGZOTPLO-AWEZNQCLSA-N 409.537 1.079 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2ccco2)CC1 1507724542 GOSTVBIKQGAIFO-UHFFFAOYSA-N 407.478 1.062 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCCCO2)CC1 1507733336 UYQAZEXVDXDZRC-UFYCRDLUSA-N 417.554 1.717 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1507841029 VJOVXXUHRXITFQ-MRXNPFEDSA-N 412.494 1.760 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507842440 AIUZTAVHRARKIK-YLJYHZDGSA-N 416.570 1.737 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1508020073 NMVDLCUGUNDLQM-HOTGVXAUSA-N 409.556 1.836 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1513970247 DRNRTKWWVIBUGN-LPHOPBHVSA-N 423.521 1.252 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(OC)nc1 1516537682 DLRBDSXOTYQEIP-UHFFFAOYSA-N 421.461 1.801 30 10 HDEE CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516968618 YOLDOQWUQAUXHJ-FGTMMUONSA-N 421.505 1.451 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)C1[C@H]2CCC[C@H]12 1517044166 VMNNZLYZCMPUCQ-IRXDYDNUSA-N 414.535 1.943 30 10 HDEE COCCCn1c(Cc2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519076174 RIPXKWPVTYPGLE-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE CCN(C(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1524606329 HRDLVZSXSZWJJP-GFCCVEGCSA-N 401.282 1.735 30 10 HDEE CC(C)Oc1cncc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1526954042 PSUJDSSEHMPXTM-HNNXBMFYSA-N 408.418 1.979 30 10 HDEE COc1cc(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)ccc1C#N 1531591809 BEIVRLPPCDHWQZ-UHFFFAOYSA-N 419.425 1.995 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1 1532448426 IPZXDILVXPAOHP-UHFFFAOYSA-N 419.482 1.603 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1535780890 KDEKNXXQDKXOKA-INIZCTEOSA-N 402.407 1.423 30 10 HDEE CCCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](C)C(=O)OC 1536305118 OMULLWSYHRMEAK-CZUORRHYSA-N 400.435 1.563 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nn(-c3ccccn3)c2C)n1 1538918796 VTRQWGHMJUBRAO-UHFFFAOYSA-N 406.490 1.932 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1538972098 JERWZTGUDHSHAI-HUUCEWRRSA-N 415.523 1.396 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C1CC1)N(C)C 1539154040 DXVZRZWDJDYSKO-SFHVURJKSA-N 401.536 1.758 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1539195159 OJJOKZIKFATFTP-UHFFFAOYSA-N 411.915 1.519 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCCCCC2)CC1 1539430967 PZAIPUKBXPLITR-HXUWFJFHSA-N 418.586 1.633 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCS(C)(=O)=O)C1CC1 1540102342 VGVFAVJLSNFREP-UHFFFAOYSA-N 414.495 1.120 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2conc2COC)C1 1540890323 CRAHHTPCWQGGET-GJZGRUSLSA-N 402.455 1.193 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1555797760 PBGCBOJJXJSWAC-OAHLLOKOSA-N 413.463 1.261 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cccs2)CCO1 1555993369 NICZVIHRMXGXPB-GJZGRUSLSA-N 416.507 1.392 30 10 HDEE Cc1oc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 1556457488 HILNLFBIIMLRQN-OAHLLOKOSA-N 401.444 1.394 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)cccc3cn2)CC1 1556504185 NTVNKJWUOPZJQA-UHFFFAOYSA-N 415.291 1.505 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC(F)F)C[C@H](C)O 1556626063 BDYIYEUNUGQREY-JSGCOSHPSA-N 417.478 1.758 30 10 HDEE COC(=O)C1=CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557499537 RQTBCJGRBWFZIR-HOCLYGCPSA-N 419.503 1.518 30 10 HDEE C=CCCn1cc(CN2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)nn1 1560868312 BWPORDQRIYMNIA-UHFFFAOYSA-N 423.564 1.835 30 10 HDEE C[C@](NS(=O)(=O)c1cc(Br)ccc1C#N)(C(N)=O)c1ccccc1 1561361103 GAKHOGZEXKKWAV-MRXNPFEDSA-N 408.277 2.000 30 10 HDEE CO[C@@]1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1565005248 OJPKYECJQXKUCK-HXUWFJFHSA-N 420.535 1.026 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccc(F)cc2O1 1583364253 QTESAGYEKDNKRC-BQASMSSTSA-N 403.366 1.009 30 10 HDEE N#Cc1ccc(CC(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)cn1 1583917105 IXBMMOCFQWNBLS-UHFFFAOYSA-N 416.478 1.994 30 10 HDEE CS(=O)(=O)c1cc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)ccn1 1584025636 PNQCJHLEKJMWSZ-UHFFFAOYSA-N 407.473 1.815 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1587627615 VSGMQEDVSYDHRV-LPHOPBHVSA-N 403.490 1.980 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC1(C(N)=O)CCOCC1 1587939953 KFROVRYSNYTUAM-UHFFFAOYSA-N 417.897 1.959 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1588059671 RXKMUNWBDDBILC-SFHVURJKSA-N 415.519 1.474 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1CF 1588099035 GPBBPZHHMGAARS-FUHWJXTLSA-N 415.494 1.799 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1 1588199464 PTSWSGYANBWZDF-UHFFFAOYSA-N 419.453 1.857 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc(OCC=C(C)C)c2)CC1 1588199751 YJBDDEBKXZVKGJ-UHFFFAOYSA-N 405.520 1.186 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1588228760 LPZBIFHGBKZVBJ-INIZCTEOSA-N 417.560 1.651 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCC3(C2)OCCO3)n1 1588724026 SRLIAXJBXOTXTE-SFHVURJKSA-N 414.510 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(CC)CC1 1589207561 MYAYLQCFLZUNQP-XMSQKQJNSA-N 413.570 1.249 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1593636374 JWPVPGOXLAUSST-HUUCEWRRSA-N 413.544 1.048 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1593747294 TZKHHVQNAUROEI-GOSISDBHSA-N 416.526 1.993 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)NCCC)CC1 1594083277 KUUYRJCOEXLZFF-UHFFFAOYSA-N 421.505 1.875 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1594829086 CDULVCGKADZUBW-OXQOHEQNSA-N 421.498 1.164 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1594949046 QINAVKHJRHWXES-INIZCTEOSA-N 416.526 1.865 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1595319158 BNKIFYLGOGGSFO-SCLBCKFNSA-N 409.487 1.311 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1595993720 UZAOPJUMKNDMAF-IAGOWNOFSA-N 412.494 1.990 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1596483973 DNCDFEIEBQZLAQ-UHFFFAOYSA-N 421.505 1.448 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1603639243 GHPHNYWLXZVCHV-CQSZACIVSA-N 408.480 1.708 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCC(F)(F)C(F)F 1608405753 PJDRZHFJJNTMQM-OAHLLOKOSA-N 424.374 1.775 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1 1611620940 CAIHCZMJFGMSCR-UTKZUKDTSA-N 410.526 1.833 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C#N 1620041798 UBBYSYHJTVBFCN-HNNXBMFYSA-N 410.482 1.743 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1620053748 VJGDBUCONHPAAL-KRWDZBQOSA-N 408.466 1.235 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC 1622450110 JKXBYJCFADDBHD-SNVBAGLBSA-N 403.258 1.278 30 10 HDEE N#Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n1CCOC2 1623340048 CNUJIGKJNAFMKI-AWEZNQCLSA-N 415.475 1.324 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1627256447 XLNDHQQHERBHHF-INIZCTEOSA-N 408.543 1.611 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC)nn1 1631165836 BJEDIDZDVOTNSL-UHFFFAOYSA-N 420.495 1.169 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H](CCN2C)C1 1632307616 YMXJXZXEIGKEEL-BPQIPLTHSA-N 418.563 1.837 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1635204000 SPXTZEIKFKVENW-KBXCAEBGSA-N 404.529 1.556 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)c1ccc(OC)c([N+](=O)[O-])c1)C(=O)OCC 1635606321 GHQFRQKPHXGVJU-GFCCVEGCSA-N 413.814 1.524 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1NC(=O)CO2 1636441148 UNCXEGHDSWOILU-UHFFFAOYSA-N 400.416 1.085 30 10 HDEE C#CC1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 1638866158 PFVPVIRHCLEEJM-KRWDZBQOSA-N 410.923 1.745 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)C2)nc1 1638905805 CSZYJIJMIFPIBK-OAHLLOKOSA-N 404.430 1.352 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C2CC2)c1 1639709540 SLBZSMRBWJLXHH-QGZVFWFLSA-N 412.533 1.190 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)[C@@H](O)c3cccnc3)ccc2c1=O 1642580136 SRBRTBQFGYDDJT-IRXDYDNUSA-N 412.471 1.091 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(c3ncc(C#N)cc3[N+](=O)[O-])C2)CC1 1642670420 CYENPGXUODVODP-OAHLLOKOSA-N 402.455 1.993 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OCC)[C@@H](O)c1cccnc1)C(=O)OC(C)(C)C 1643499259 PPPKPXXUWKBKAA-IRXDYDNUSA-N 405.451 1.033 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@H](C#N)C3)CS(=O)(=O)[C@@H]2C1 1645042597 GFAFFGRQFVNFMM-KLHDSHLOSA-N 411.524 1.419 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1 1646135026 DOFGBMCQBLLLRE-QGZVFWFLSA-N 406.504 1.437 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)c1 1648283198 RWCALCZKAGQWCS-XMMPIXPASA-N 420.513 1.933 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)COc3cccc(Br)c3C#N)C2)C1 1649041530 NJLKGXWACUKURP-QGZVFWFLSA-N 422.235 1.620 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1649537781 DYFVTKPLORPULO-WFXMLNOXSA-N 405.543 1.497 30 10 HDEE O=C(c1cn(Cc2ccccc2)nn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651220528 AHRMPPIXOTWCOY-UHFFFAOYSA-N 405.414 1.844 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccc21 1652918788 BFLGLOPPKNPVQS-IBGZPJMESA-N 404.426 1.795 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)c1=O 1656137949 QHUSTMZJSWXDNZ-GOEBONIOSA-N 423.391 1.726 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C2CCN(CC(F)(F)F)CC2)CC1 1658993907 YAOIJSVTXGOOPI-QGZVFWFLSA-N 403.493 1.637 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC(=O)Nc3ccccc3C2)CC1 1659173285 FFVLTPQKMHSZCL-SFHVURJKSA-N 409.515 1.911 30 10 HDEE C#CCN(C(=O)Nc1nc(C(=O)OCC)c(C(C)=O)s1)[C@H]1CCS(=O)(=O)C1 1661308035 IQHJCERBTQLHLY-NSHDSACASA-N 413.477 1.177 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1668807990 MVTMXZPKKHXFOT-UHFFFAOYSA-N 410.293 1.471 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)n(-c3ccc(C)cc3)n2)CC1 1669685104 IGIRSRSHEIHZPV-UHFFFAOYSA-N 416.507 1.106 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1676708954 JCSRFVHUBIZXNX-YJBOKZPZSA-N 406.914 1.879 30 10 HDEE COCCOC1(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCOCC1 1682520433 GYAQWTQUEGDNOA-UHFFFAOYSA-N 420.485 1.741 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 1684867778 CQKVSTKBBCSNMS-DLBZAZTESA-N 419.526 1.091 30 10 HDEE C=C(C)CCNC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1686528173 WTGOCUFZOREJFB-UHFFFAOYSA-N 409.508 1.830 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1689847429 ZKPYEAWOJZMCAU-ZBFHGGJFSA-N 407.469 1.493 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689904154 MJISWLPDBMABFM-QUCCMNQESA-N 416.570 1.607 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)CCS(C)(=O)=O 1690163360 BWFSEEHKYSXGLE-UHFFFAOYSA-N 408.549 1.801 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1690198339 KYCZZIZOIREDNV-RTBURBONSA-N 404.492 1.388 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690663063 KXYNLHRSUXRKNI-HNNXBMFYSA-N 412.494 1.313 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690672518 VEAANUVBJHDZRE-MSOLQXFVSA-N 418.586 1.716 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C[C@H]1CCOC1)C1CC1 1690674771 DUWZIDJANODOGM-QGZVFWFLSA-N 413.526 1.447 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)n(C)c2=O)C1 1690696384 BBKANNRTGKTPQT-QGZVFWFLSA-N 407.478 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C)o1 1690722484 LAGTVOGKPLDFFC-UHFFFAOYSA-N 404.496 1.817 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1690734232 ZCKQZTDDBWCZCT-KRWDZBQOSA-N 422.599 1.494 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1690995723 MOCIGCKVODCCHA-UZLBHIALSA-N 420.514 1.757 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCOC1 1690997520 LMVJBARSPHKNEY-HZPDHXFCSA-N 407.482 1.943 30 10 HDEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1693470771 GJDGYCBTWYCXBB-SFHVURJKSA-N 405.462 1.740 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1693871032 XPWWVAQLGHGIAP-UWVAXJGDSA-N 410.522 1.745 30 10 HDEE CCc1nnc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)s1 1694618028 BYVJVCYPCIUNMO-GFCCVEGCSA-N 404.500 1.058 30 10 HDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1696496141 QEUPCZJXNFIGQF-GOSISDBHSA-N 418.523 1.366 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1698028331 GEWHXVIENJSMJR-UHFFFAOYSA-N 407.478 1.946 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccccc3F)nnc2N2CCNC(=O)CC2)o1 1698488921 UPWGNRLNYKZNKY-UHFFFAOYSA-N 410.409 1.835 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1COCCO1 1705485551 KUWAOQSANAPJOJ-YJBOKZPZSA-N 408.466 1.184 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C1OCCO1 1705500093 GELGKITZXKRICO-MRXNPFEDSA-N 409.490 1.952 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1705510812 YYMSVYDHRYNTSO-AWEZNQCLSA-N 411.528 1.081 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1 1705512351 ACKUGOXEAPCJQJ-UHFFFAOYSA-N 402.476 1.712 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCOCC1 1705550142 CIHWPKHVCMXJLB-UHFFFAOYSA-N 405.506 1.629 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccc(F)c1)N(C)C 1705551235 JWNHRJKKWNHWDW-FUHWJXTLSA-N 419.526 1.692 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1705564112 LHOPTFWDJKSBHT-OAHLLOKOSA-N 403.508 1.392 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705565414 IEEBEECAWDDYRZ-QZTJIDSGSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCOCC1 1705576841 RLTJUXBHRKKPBX-UHFFFAOYSA-N 408.462 1.648 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(n2)CCCC3)CC1 1705632451 QLSWQLZUWUIKOQ-UHFFFAOYSA-N 421.549 1.494 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1OC 1705709620 BXEIZNCFLICOLN-XHSDSOJGSA-N 415.560 1.342 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1705939631 IGBPEWAEINYDTG-UHFFFAOYSA-N 415.585 1.349 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1706677969 BHIQCJSRZBXQTP-PXNSSMCTSA-N 416.457 1.630 30 10 HDEE C[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1706792086 GCPSTZICNSTZCZ-RNODOKPDSA-N 410.457 1.986 30 10 HDEE CCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1=O 1709792835 NWDNVOMMVNRTDW-UHFFFAOYSA-N 423.521 1.792 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(CC)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1710481998 YVWVAVIULDPCLQ-IIBYNOLFSA-N 414.510 1.974 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1710834087 GGELKACUHMDGQA-NRFANRHFSA-N 412.494 1.728 30 10 HDEE CNC(=O)c1cccc(CCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)c1 1711330648 GTGIJKYSCMUJBK-QGZVFWFLSA-N 405.462 1.604 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1711386535 NWGOLDKEUSNTKN-KRWDZBQOSA-N 418.505 1.848 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCCNS(C)(=O)=O 1722356518 HSJZJEIAVNMYMU-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCc3nccn3C2)n1 1722429257 JGKJHCAVUUKNRZ-SFHVURJKSA-N 422.537 1.782 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722452263 CQASDHWIGPQTQE-QGZVFWFLSA-N 418.567 1.185 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722526295 UJKFFGFFAOIHEP-SFHVURJKSA-N 416.551 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCOC)[C@@H]1CC[C@H](C)C1 1722697634 NIAIGWYVIDJZGG-DOTOQJQBSA-N 401.515 1.622 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1722707091 GHYQUWASKFRJLC-IRXDYDNUSA-N 408.462 1.571 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](N1CCOCC1)C(F)(F)F 1723192069 GXPZGLXOHBHNOF-KBPBESRZSA-N 402.421 1.393 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1730956982 SZRXPCWJHTWHJS-NWZZKEMCSA-N 419.526 1.672 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1740578595 JKKSABOLKXTNLS-LAUBAEHRSA-N 403.527 1.826 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1ccco1 1740611210 WXLFPEYMLQFVAY-GOSISDBHSA-N 407.430 1.883 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccsc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740616818 HPHDFDLGRDLVNM-DLBZAZTESA-N 407.565 1.578 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740622181 VWILGMULOWBSLA-JKSUJKDBSA-N 401.536 1.956 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740624800 LVRNKOIDNRPSDM-MSOLQXFVSA-N 405.568 1.199 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(C)(=O)=O 1740632041 WJPOEGRDUOIFTE-HNNXBMFYSA-N 404.467 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCOC1 1740647868 XZRSIXOMIYNLHW-JOCHJYFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)Cc1ccccc1 1740653220 FAOFNOMBJVCQCG-LJQANCHMSA-N 418.501 1.351 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCCN(C)S(=O)(=O)CC 1740655298 CYWOTWGDDRKRLZ-SFHVURJKSA-N 421.567 1.654 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(=O)N(C)Cc1ccccc1 1740683804 OGVBNJNNEJWSKZ-UHFFFAOYSA-N 419.489 1.480 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740787055 YSQFXUHVBQUFBW-INIZCTEOSA-N 419.530 1.049 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740792754 LECFQIXPBZMAGM-INIZCTEOSA-N 413.588 1.930 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2nncn2C)CCOC1 1741726089 XEWWQQJUVARGLB-IBGZPJMESA-N 400.487 1.235 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1748666891 JZYKIJMODDSFEG-HIFRSBDPSA-N 412.460 1.961 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748793321 FTGCTKHVVRCUCC-UHFFFAOYSA-N 421.505 1.588 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN(C)CC(F)(F)F 1748799098 OJZSNEIWXNWHFS-UHFFFAOYSA-N 414.457 1.833 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(C)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748818174 WTRYVFWOTJJSHD-KRWDZBQOSA-N 402.520 1.833 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748939341 ZDNAFMMNFFHVGT-MRXNPFEDSA-N 414.510 1.844 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCc2noc(CC)n2)CC1 1748983902 HNLUOWCEDOFIAH-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749032329 CPNFJZOPECCPNK-KXBFYZLASA-N 402.524 1.429 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(C)CN(C2CC2)C1=O 1749143501 KMDCTEBAUVIFDU-KUHUBIRLSA-N 424.571 1.302 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1749187464 MCAFIMOQBVFFBN-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749441561 GXWOCOWWPJMXGM-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749450626 NPCHYRROZXLGPX-UTKZUKDTSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)C1 1749658074 LBPGLZNRLJSHAG-UHFFFAOYSA-N 406.849 1.318 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1749663536 JEUFEQINZBWLAK-IRXDYDNUSA-N 411.510 1.680 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccccc1F 1749667288 XFCUFFNXERANBP-XJKSGUPXSA-N 400.458 1.868 30 10 HDEE C[C@@](O)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CC1 1751247842 FDBGULNWFHLTHK-QVKFZJNVSA-N 410.478 1.201 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1760114286 KCMRMVJADWFGFP-SJORKVTESA-N 400.527 1.332 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCNC(=O)c2ccco2)c1 1760125234 GSLGUENGZIXZFE-UHFFFAOYSA-N 406.446 1.666 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760143513 IULRFPKHTZPGBG-SFHVURJKSA-N 400.527 1.086 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1760238219 MXCRBEYJECWPQG-UHFFFAOYSA-N 422.533 1.805 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCc1cccc(C(N)=O)c1 1760248182 CXIUWTQHHLXHAQ-IBGZPJMESA-N 411.506 1.947 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1 1760516183 XJIRARIZJMBTGS-UHFFFAOYSA-N 420.271 1.962 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1760526605 QLYBFGLCJAOUJO-UHFFFAOYSA-N 422.489 1.790 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCCOC2)C1 1760526840 VDEZIMDQNSBTNL-NRFANRHFSA-N 413.526 1.449 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCO[C@H]2C)C1 1760537832 QPPQEFVJCWAFBP-JWWGGVBKSA-N 422.526 1.251 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1760559456 HOTMTNFFWWWXRM-CHWSQXEVSA-N 405.615 1.749 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1760564838 IVFBBZATZZERBI-MRXNPFEDSA-N 422.599 1.695 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)CC1 1761547208 WODNVQSHPLFHRB-MRXNPFEDSA-N 409.494 1.844 30 10 HDEE CCc1nnc(N2CCC([C@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1764805858 MIVDVNCUKWNNMW-FTHOYRMOSA-N 414.510 1.762 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1764878359 GDXXWPRROUVNRR-JKSUJKDBSA-N 424.571 1.425 30 10 HDEE CO[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CCOC1 1768207308 BNUQYTDIZNXKSP-HXUWFJFHSA-N 402.499 1.450 30 10 HDEE COc1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)ccc1Cl 1768303802 AVBXHUIMJKOANN-DZGCQCFKSA-N 416.869 1.668 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1769985126 XZJUIZYFCPUZAC-DJJJIMSYSA-N 402.455 1.217 30 10 HDEE CSCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1770597740 UDTFEKGNJCJVIH-CYBMUJFWSA-N 400.574 1.771 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771506585 AXAXEBAYXZKLDD-UONOGXRCSA-N 419.507 1.697 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1851347754 MRHSUNRGVCNLSQ-AWEZNQCLSA-N 400.501 1.312 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N=C2NN(c3ccc(Cl)cn3)C[C@@H]2C)c1 1852104739 QAGVMOCQGONJOD-NSHDSACASA-N 407.883 1.843 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N2CCC(COc3cc(C#N)ccn3)CC2)C1 1852983524 KOFVSRLFCZYPKD-KRWDZBQOSA-N 406.508 1.242 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[C@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1854860915 XXEBFDOKHNRMIL-XMSQKQJNSA-N 414.481 1.890 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](Cc3nc(-c4ccncc4)no3)C2)CCC1=O 1855615703 KBKSCECUGGZIIC-HZPDHXFCSA-N 408.462 1.675 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3csc(C4CC4)n3)[C@H](C)C2=O)CC1=O 1855802673 FMAPIRLOBSQORF-HIFRSBDPSA-N 402.520 1.614 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cc2cccnc2)CC1 1855862931 RPVIKTFGJFYFKA-UHFFFAOYSA-N 424.482 1.664 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4cocn4)CC3)CC2=O)CC1=O 1856055665 IOVIMOAVXRBWOP-SJORKVTESA-N 400.479 1.296 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1856117648 FEZCUEZAVOCZOX-OAHLLOKOSA-N 400.504 1.855 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(S(=O)(=O)c3ccccc3)CC2)CCC1=O 1856227078 PJGHLCHEFLJJLC-INIZCTEOSA-N 403.504 1.604 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1 1856871408 VYUZTFIBQFJGMS-MRXNPFEDSA-N 411.483 1.690 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3ccc(F)c(F)c3)C2=O)CC1 1857071050 AOOXHDNGDAQGLU-GOSISDBHSA-N 411.412 1.795 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccn12 1858221705 QMMZYQMAERFAFC-UHFFFAOYSA-N 407.430 1.441 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)c(C)c1 1858316964 NGTJAHPNDVPNEG-KRWDZBQOSA-N 419.528 1.917 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1858620592 QQZHAHKPNMIHMN-UHFFFAOYSA-N 412.471 1.663 30 10 HDEE N#Cc1cccc(C(=O)NCc2ccc(OC(=O)NCCN3CCOCC3)cc2)c1 1858889959 LBHBQYATLPJZQF-UHFFFAOYSA-N 408.458 1.909 30 10 HDEE C=CCNC(=O)[C@@H](CCCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861600398 PRTNALGFLSALFK-NVXWUHKLSA-N 415.490 1.803 30 10 HDEE COc1cc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCO)cc(OC)c1O 1862565284 SXFGLOFFUBCEJG-KRWDZBQOSA-N 414.414 1.562 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(c3ncnc4c3nnn4-c3ccccc3)CC2)cc1 1891023512 ATQDQTVQOQUDRR-UHFFFAOYSA-N 424.468 1.973 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1895890667 GYWMDMWNPBODIW-GBESFXJTSA-N 414.506 1.763 30 10 HDEE O=S(=O)(NCC#CBr)c1cc(Br)cc(CO)c1F 2077492028 HWQAAGHCOGFSQI-UHFFFAOYSA-N 401.051 1.715 30 10 HDEE C#CCCN1CCC(COc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2086864756 HAFMMEHNJGDSIE-LJQANCHMSA-N 423.469 1.202 30 10 HDEE CC#CC[C@H](NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)O 2123800489 XRCIBDBVJBUQDH-WWMYMODYSA-N 402.447 1.785 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC(F)(F)C1 2184236877 RFOLDXQLBHQIAV-GFCCVEGCSA-N 402.423 1.876 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)C(C)(C)C 2197741032 XCLAYWFTBGUGFL-KGLIPLIRSA-N 400.541 1.963 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2250273461 RRQRVFOFTYIXHK-TZMCWYRMSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)NCCC#CBr)C1 2258963395 SFYDQMHSMHMCRP-RYUDHWBXSA-N 418.288 1.884 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270526275 WEQDKISYUDZLRS-SFHVURJKSA-N 416.455 1.467 30 10 HDEE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2279346099 ZIWFXJGNKIERFF-OLZOCXBDSA-N 400.375 1.840 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCOC[C@H]3CO)c2Cl)OC1(C)C 2281933096 VAVHWXONUKJYRN-ZYHUDNBSSA-N 401.721 1.828 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2281996855 VACNKNXNNLRLQL-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282310527 VMULMJFFZVJSQO-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@H]2CCOC2)OC1(C)C 2282502681 OMYRKOVZCYRXCQ-CYBMUJFWSA-N 401.359 1.893 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@H](CO)C3)c(Cl)c2)OC1(C)C 2282512885 WICZUILOMHLFDI-AULYBMBSSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)co2)OC1(C)C 2282538245 CSORZOQQNDAFMD-ZDUSSCGKSA-N 401.315 1.139 30 10 HDEE CN(CCS(=O)(=O)N(C)C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282635526 YDSKCKLUKRKBCZ-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@H]1O 2282828075 IGZNEFDKOLHHQG-BXUZGUMPSA-N 401.721 1.641 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CNC(=O)O3)cc2Cl)OC1(C)C 2282832182 KZIVSGGPLCHSDF-MRVPVSSYSA-N 422.721 1.087 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC23OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282832419 OURCSFVOGFFRNW-KRWDZBQOSA-N 423.340 1.868 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H]2C[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834782 XVSARBHMRWLZSX-JOCQHMNTSA-N 400.375 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(F)C[C@H](N)C1 2282834795 NDXZPKFOXDBIDD-SXUIPJSXSA-N 404.338 1.463 30 10 HDEE Cc1nc(S(=O)(=O)N=[S@](C)(=O)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843229 KGDUHHCTSSIDEF-RUZDIDTESA-N 405.351 1.223 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@@H]3N)s2)OC1(C)C 2282848964 UXPVIGYLUOGQBG-STQMWFEESA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCCCO)cc2)OC1(C)C 2282851807 HKAWVGJVNKUEIT-UHFFFAOYSA-N 401.359 1.380 30 10 HDEE CSCC[C@@H](NC(N)=O)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2283989632 QFIAXHUGBLCERJ-SECBINFHSA-N 400.335 1.171 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccc[nH]1 2330747949 SZRPTEIZEZUSEX-UHFFFAOYSA-N 401.452 1.126 30 10 HDEE C#CCN(C(=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2360589382 WGFYNSAHMVMLHJ-ZIAGYGMSSA-N 420.468 1.151 30 10 HDEE CC(C)(C)[C@@H](N)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2362085427 ZLFIHUHSWVMOIT-LBPRGKRZSA-N 403.379 1.235 30 10 HDEE Cc1csc(C#C[C@H](OCCN)c2cn(C)nc2I)n1 2363687373 UHQDSOIRLAYSPO-NSHDSACASA-N 402.261 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CC2 2365211573 MPMKMZSLWSYJLG-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2365212061 QFPSBTKVZKWMTH-JYJNAYRXSA-N 402.557 1.721 30 10 HDEE COCCn1cc(C#C[C@H](NN)c2csc(I)c2)cn1 2366014834 MHKAGVKKKQMNSS-LBPRGKRZSA-N 402.261 1.752 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2367793460 VWJUAZGHUZMIPS-BZUAXINKSA-N 400.541 1.570 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367803226 IYKILJMDJKUSPA-OWCLPIDISA-N 401.525 1.733 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367803700 MUIFEWAWLDPABT-MAUKXSAKSA-N 400.541 1.571 30 10 HDEE COc1cccc(N2C[C@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)c1 90743822 YPVODLZFQZGANK-MRXNPFEDSA-N 421.453 1.346 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)N1CCOCC1 404912261 CQGNPDJNGYFSMR-UHFFFAOYSA-N 402.347 1.056 30 10 HDEE CNC(=O)C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 431091174 PKGJJIWPROVVDS-RDJZCZTQSA-N 407.478 1.446 30 10 HDEE Cn1cc([C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 446474997 JKEQCVFOSMDTAD-CVEARBPZSA-N 420.395 1.995 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OCCO)c1 446729196 SDKZNPJCXXLGHR-AWEZNQCLSA-N 403.460 1.543 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCN(c4cc(C)nn4C)C3=O)cc2C1=O 464118996 IBXFUPUQYPVXAN-INIZCTEOSA-N 407.430 1.046 30 10 HDEE Cc1ncsc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)no1 471511157 QEJKVSZRIJLTHH-UHFFFAOYSA-N 417.472 1.604 30 10 HDEE CC[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCOC2)O1 474682242 KETVLFCYJLGRFF-DXIQSLLYSA-N 412.490 1.639 30 10 HDEE N#CC1(NC(=O)CNC(=O)COc2ccccc2)CCN(Cc2ccccc2)CC1 482658229 MZJGNKWHJYRBOB-UHFFFAOYSA-N 406.486 1.856 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 502783545 ZXQOUDLEAMFMMY-IIBYNOLFSA-N 421.453 1.979 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1OC 508497201 JSKUGUHAXQQGKA-KRWDZBQOSA-N 421.523 1.442 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508707523 WDKUASHZFIQABJ-GOSISDBHSA-N 413.526 1.401 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508787817 ADWZIZQHVQJULS-LSDHHAIUSA-N 409.556 1.497 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)C(C)(C)C1 508848859 ONSBQSJKHMHDFQ-UHFFFAOYSA-N 414.491 1.793 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@@H]1CN1CCOCC1 557825199 CIYXAXGUUXKVFX-CYBMUJFWSA-N 414.325 1.806 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 575205919 ZKYSNXAOPHOGEG-ZBFHGGJFSA-N 406.508 1.132 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CCOCc1ccc(C#N)cc1 579095220 ILOWFANOHDGDSZ-UHFFFAOYSA-N 405.476 1.999 30 10 HDEE N#Cc1nccnc1NC[C@H]1CCCCN1CCn1nc2c(cc1=O)CSCC2 585625514 KZDQZWAUOPZIQT-MRXNPFEDSA-N 411.535 1.661 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)OCCCC)nc1C 586305205 TZGUBIDIARYMQW-SANMLTNESA-N 402.494 1.825 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1 607200150 RRYJZBKEQHUWKZ-CQSZACIVSA-N 415.537 1.392 30 10 HDEE CCN(C(=O)CN(C[C@H](C)C#N)C1CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 611091255 LHWHCXPKVDVRPU-OAHLLOKOSA-N 424.505 1.556 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 619510288 UHOBIJJRECBECL-UHFFFAOYSA-N 408.418 1.152 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2noc(C)n2)CC1 642708320 AEJAQXDDESLTOK-MRXNPFEDSA-N 419.530 1.982 30 10 HDEE NCC#Cc1cccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1F 703978582 QAVQPSFBZPXIPZ-UHFFFAOYSA-N 401.419 1.174 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)cc1OC 729250941 POTDMIVPRIPVQT-DZZUKKPASA-N 401.463 1.126 30 10 HDEE COc1ccc(C[C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 730190193 DNJMLJXVBLFBIN-ZDUSSCGKSA-N 417.487 1.490 30 10 HDEE N#CCOc1ccc(CC(=O)NS(=O)(=O)c2cncc(Br)c2)cc1 732499065 ICGJBWHGYVYRRB-UHFFFAOYSA-N 410.249 1.794 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(C#N)cc3)cc2C1=O 746529552 BNIUTLPCDSUCCT-UHFFFAOYSA-N 403.394 1.813 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)OCC#Cc2ccccc2Cl)n(C)c1=O 747012848 NYEGJMFCMPEASG-UHFFFAOYSA-N 400.822 1.072 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)C2CCN(C(=O)c3cccnc3)CC2)CCCCC1 760404281 FMPZUOUQJZTIMA-UHFFFAOYSA-N 418.519 1.854 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncc(-c2ccccc2)cn1 763781145 GEZYBHBHWSKWLK-UHFFFAOYSA-N 407.455 1.499 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)cn1 765145348 HYWIIZBGQUQBCL-UHFFFAOYSA-N 411.487 1.281 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2(N3CCOCC3)CCC2)cc1 770477440 RRGWRITXKCGKGJ-RELWKKBWSA-N 420.535 1.693 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOC2(CCSCC2)C1 771297712 KEAURZZCTIOOMH-CQSZACIVSA-N 423.560 1.676 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 775373469 JVCFNCJNZNNKJG-GOSISDBHSA-N 403.435 1.587 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)cc1 775373508 JVCFNCJNZNNKJG-SFHVURJKSA-N 403.435 1.587 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 780175999 LOWKDAABUJBABF-YCRPNKLZSA-N 402.447 1.911 30 10 HDEE COc1ccc(Br)c(CS(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 800051453 LOFTYFHGYVRWCJ-CQSZACIVSA-N 414.325 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)c1ccccc1 800064195 SWXZEHFYKZNZNE-HOTGVXAUSA-N 410.496 1.311 30 10 HDEE C[C@@H](OCC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)c1nccn1C 805177912 RQMGJWNFCFVROP-PFKVCDDJSA-N 419.507 1.949 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 806534878 JHWIQSGLEHGFBQ-INIZCTEOSA-N 414.491 1.128 30 10 HDEE C#CC[C@@]1(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CCCN1C(=O)OC(C)(C)C 809547895 WXEUXRBEFCBLIZ-FQEVSTJZSA-N 421.519 1.743 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cncc(C#N)c2)[C@@H](C(F)F)C1 810079476 GMWLAPALTSITSG-CYBMUJFWSA-N 402.423 1.828 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 810188094 SMMUOFSDCYDJJG-KRWDZBQOSA-N 403.458 1.807 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 810473062 COCGJEMZIVPYMI-HNNXBMFYSA-N 409.826 1.556 30 10 HDEE CC(C)Cn1cc([C@H]2N(c3c(C#N)c(=O)n(C)c(=O)n3C)CC23CCOCC3)cn1 849478053 HNLGKPKWCXGQAI-QGZVFWFLSA-N 412.494 1.166 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)CC1 915833081 AAWOCORSWGXAPT-UHFFFAOYSA-N 402.458 1.780 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1C[C@H]1CCCO1 917354320 QBGBTEOWUSAVFG-CQSZACIVSA-N 416.846 1.677 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 917977019 BVGYPHMKLFRILA-UHFFFAOYSA-N 417.466 1.353 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1116553351 VNSKCQVKKGQBSQ-RTBURBONSA-N 417.506 1.847 30 10 HDEE COc1ccc(CN(C(=O)c2cnn(CCC#N)c2C)[C@H]2CCS(=O)(=O)C2)cc1 1124965466 PNOHSGJUWIUWJG-KRWDZBQOSA-N 416.503 1.943 30 10 HDEE C[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1127529514 DYIJTTUYHNHRHT-GJZGRUSLSA-N 416.544 1.456 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(OC)cc2)c1 1129748427 CNDJSLUWDZDVSZ-KRWDZBQOSA-N 414.483 1.995 30 10 HDEE C#CCN(CC(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)C(=O)OC(C)(C)C 1135994732 IQBIDPQQPUICDL-UHFFFAOYSA-N 414.506 1.640 30 10 HDEE CN(C)CCn1ccc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 1136182740 DIFSYWGPVFENNE-UHFFFAOYSA-N 406.494 1.447 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C2=C(C)N(C)c3nnnn3C2)C1=O 1139684898 VDBABDTYVCQHOC-SFHVURJKSA-N 404.475 1.099 30 10 HDEE C[C@@]1(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CCCS1(=O)=O 1141515329 YJGXJULNKDOSRO-IBGZPJMESA-N 401.492 1.342 30 10 HDEE C=CCn1cc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)nn1 1142658798 FAYBJHWWMDQVKL-NRFANRHFSA-N 408.462 1.469 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2coc(S(=O)(=O)N(C)C)c2)C1 1143720468 UBNCRWMSYHQOOQ-QGZVFWFLSA-N 402.476 1.752 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3c3ccnn3C)ccc2c1=O 1144266561 LEAMQMSIJWUYLX-QGZVFWFLSA-N 411.487 1.818 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1)C1CCOCC1 1148195073 SUIKCGMTZLFXQP-ZIAGYGMSSA-N 409.464 1.584 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 1155874014 SWPGEQOAZPPOIN-UHFFFAOYSA-N 415.515 1.894 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cc3ncon3)CC2)cc1 1156114145 DWCXHDVXHOEOBB-UHFFFAOYSA-N 403.464 1.356 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 1156618326 NILGEWGGDKOZFY-IIBYNOLFSA-N 402.495 1.748 30 10 HDEE C#CCOCCN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1160097538 LBDMPYJWXJWNAK-SFHVURJKSA-N 422.279 1.324 30 10 HDEE N#Cc1ccsc1NC(=O)CN1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1198731586 JHWCFPCOKYDQDP-SMDDNHRTSA-N 407.439 2.000 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](n2cncn2)C(F)(F)F)c1 1213380752 PDBDXKRHQSFPJT-CYBMUJFWSA-N 403.386 1.276 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCN(c4cnccn4)CC3)CC2)c1 1252506259 CTGZDGOMCBYLLP-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE CN(C)Cc1csc(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 1255532305 VBJVZNINJKIPCU-UHFFFAOYSA-N 415.523 1.974 30 10 HDEE C=CCn1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1271511402 JTWNJNNZBVGDAJ-INIZCTEOSA-N 401.442 1.051 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@@H]12 1284058326 QCVINODCRAXVKY-DMRKKASDSA-N 401.551 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)nn1C 1286283946 VQSKDKXXUVFKQB-OAHLLOKOSA-N 402.466 1.469 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1286387766 UZHPEISXLBDERG-QZTJIDSGSA-N 413.503 1.660 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1nncn1-c1ccccc1 1286411527 XJINIAFZYUCQBS-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1C 1286447078 IWHFBOIICSAEDE-ULQDDVLXSA-N 409.556 1.507 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1CCS(=O)(=O)CC1 1286465041 IMOCLECCHJSSLT-QGZVFWFLSA-N 410.540 1.083 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1286712784 KSLFBFMQPOLDOP-UHFFFAOYSA-N 409.494 1.388 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286769742 PHAWJHQCNPGCTK-QGZVFWFLSA-N 410.478 1.906 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccn2)C1 1286809252 HQLBIOCSWNXXOY-WMZOPIPTSA-N 417.535 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1286823269 SNYRCFYGBKJGPE-UHFFFAOYSA-N 424.571 1.073 30 10 HDEE C[C@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1291295724 CFKOPRRPJGVGQA-YJBOKZPZSA-N 415.519 1.724 30 10 HDEE C#Cc1ccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 1298092021 AQKGAQAWHMECCS-HXUWFJFHSA-N 402.454 1.834 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1299366511 SUIITSRLTCEXOE-DYESRHJHSA-N 411.462 1.622 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1300289259 HLRWMOHXPFSTBI-OAHLLOKOSA-N 411.462 1.381 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1300915611 OWJPFDRLOMTRNA-QRWLVFNGSA-N 421.567 1.594 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1301126295 SFCVMRSKAWOGBF-SFHVURJKSA-N 405.568 1.845 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(O)CCN(C(C)C)CC1 1301423956 FRVOSMYZKUHJEL-GOSISDBHSA-N 407.559 1.656 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(N2CCCC2=O)CC1 1301506756 RLOCCQYAKVWVIY-UHFFFAOYSA-N 423.521 1.157 30 10 HDEE CC(=O)N1CCC(Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@H](C)CC#N)CC1 1301662248 BUHCPJZMRLXOFY-OAHLLOKOSA-N 401.515 1.511 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)C(=O)OCC 1302419910 PEZLVXZZFBEVPH-LBPRGKRZSA-N 404.872 1.407 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cccn2)CCOC1 1303504234 GELLJPZQJJARQB-PXNSSMCTSA-N 415.498 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1304271931 PKUUTKPJSIXAOR-GXYXAFEBSA-N 423.535 1.586 30 10 HDEE C#CCN1CCN(C(=O)CN(C)[C@H](C(=O)OC)c2cccc(Cl)c2Cl)CC1 1307955036 PIGYGCNCVOMDCR-SFHVURJKSA-N 412.317 1.917 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1309435458 AJDVHZXVAMXHDW-SECBINFHSA-N 411.274 1.267 30 10 HDEE N#Cc1ccc(NC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)nc1 1311055625 DGOIIGUIXRHTAY-UHFFFAOYSA-N 408.462 1.936 30 10 HDEE COCCOCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1316263506 WPLHIHQUYRZDOI-GOSISDBHSA-N 403.458 1.790 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4cccnn4)CC3)CC2=O)cc1Cl 1357889879 QOXCDVMUNKCDFV-HNNXBMFYSA-N 410.865 1.703 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1358911221 NWSSKZCKRSHICW-IBGZPJMESA-N 424.553 1.479 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1nccnc1C 1358976768 PVLZZFXFWRYUBT-UHFFFAOYSA-N 403.446 1.420 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1358994914 ZCAVHVWULYQYAY-HXUWFJFHSA-N 419.485 1.780 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C1OCCO1 1359012820 ALROPBUTBFPMNU-UHFFFAOYSA-N 409.490 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1nnc2n1CCCCC2 1359026016 HDNICWHVWPLUMF-UHFFFAOYSA-N 420.521 1.716 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(SC)CCOCC2)CC1 1359033550 GMRPUWNQQAJIPY-UHFFFAOYSA-N 414.579 1.951 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NCC=C)CC1 1359038157 MBICBXOELDHYMY-UHFFFAOYSA-N 417.517 1.339 30 10 HDEE C#CCSCCn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1359060822 ISMZIXLRIXMGHU-UHFFFAOYSA-N 420.560 1.767 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1359131741 DBAXRZCXQUKXIV-WBVHZDCISA-N 416.526 1.317 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359131865 HROCDCURIXQFCX-HOTGVXAUSA-N 400.545 1.982 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359157262 DOUSUPNAGJYBMJ-KSSFIOAISA-N 410.906 1.239 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359226325 CHNJTZWCQBYAON-GOSISDBHSA-N 416.526 1.993 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCO[C@H]1C 1359282912 WUHPBVNPOOODHB-PXNSSMCTSA-N 404.515 1.318 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1359297834 DGJOPXPDHGBQPQ-JOCHJYFZSA-N 421.505 1.441 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1359298990 QXXBKNVPWWJXSW-LJQANCHMSA-N 410.522 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(C)CCC)C1 1359300315 ZBLIDWCFJCPNHT-MSOLQXFVSA-N 404.559 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)n(C)c2=O)C1 1359312142 OMGWOFKJGDRLBE-KRWDZBQOSA-N 414.510 1.253 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1359586990 DPGPMKVWPGIROO-LJQANCHMSA-N 420.514 1.919 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1440786963 RBYSRYDAKXKSEJ-INIZCTEOSA-N 409.531 1.244 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)NCCN1CCOCC1 1443334746 HMSMUYDIOOGTFA-DNVCBOLYSA-N 411.506 1.632 30 10 HDEE C#CCCN1CCC(NC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 1444680617 HOVKRLBSHGTFKF-UHFFFAOYSA-N 403.284 1.642 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1448230892 VIGGYFRQJAIFLG-GJZGRUSLSA-N 403.545 1.763 30 10 HDEE C#CCN(C(=O)c1cnn(C(C)(C)C)c1Br)[C@H]1CCS(=O)(=O)C1 1456086221 MJEQFLRAXXOQBT-NSHDSACASA-N 402.314 1.663 30 10 HDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1457936364 VYWFTYDDCGKBIJ-GOSISDBHSA-N 417.443 1.119 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1cc(C#N)ccn1 1459114161 WQZGUYOVQWOORA-UHFFFAOYSA-N 409.471 1.889 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-c2ccccc2F)nn1 1463332687 JNLNIFGFPUUECT-UHFFFAOYSA-N 411.418 1.960 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)Cn3cc(C#N)c(O)nc3=O)cc2F)C[C@@H](C)O1 1464234615 JBSSYRDSQQPXKQ-VXGBXAGGSA-N 401.398 1.212 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 1464293792 XIEFPYQRTUAGET-VFWWHICCSA-N 406.508 1.730 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)CC1 1465396456 GZDQARQRIUHHSZ-NRFANRHFSA-N 409.527 1.243 30 10 HDEE Cc1ccc(C(=O)N2NC(=O)CC23CCCCCC3)cc1S(=O)(=O)NCC#N 1469540651 DIFXXZIYIRWSCI-UHFFFAOYSA-N 404.492 1.767 30 10 HDEE COCC1(C2CCC2)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1469904150 BOPIJJMBSGXWMZ-UHFFFAOYSA-N 405.520 1.780 30 10 HDEE CN1CCC(CNC(=O)N2CCc3c(CC#N)cccc3C2)(N2CCOCC2)CC1 1470506978 MGHSXAJFGNBPHR-UHFFFAOYSA-N 411.550 1.617 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1470591047 DWURFJUPUNRPAC-MAUKXSAKSA-N 402.520 1.883 30 10 HDEE C#CCN(C(=O)NCC12CC(CN1C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1470871267 QLQVNPAHYVAICA-XAUUPUKJSA-N 411.524 1.218 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC(C)(C)CN3CCOCC3)ccc2c1=O 1472591410 QKLFTXOWAOQOEB-UHFFFAOYSA-N 402.520 1.712 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1476939075 RJVPHSKYDFSVEZ-LLVKDONJSA-N 401.282 1.675 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCO[C@@H]2CCOC2)CC1 1479414132 UYPDFWPSWNFCAW-CQSZACIVSA-N 401.423 1.443 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CCC[C@@H]1NC(=O)NC1=O 1504874226 PXWSPKGXGWPWTM-KRWDZBQOSA-N 411.466 1.099 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1507592483 UMWUEPNBUNTQFW-LSDHHAIUSA-N 413.482 1.727 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1507611498 MNCSIZPPOJRIMO-HNNXBMFYSA-N 410.478 1.406 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1507690684 VBXSLBLLQRTQMY-CQSZACIVSA-N 407.565 1.901 30 10 HDEE C#CCN(CC)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC 1507697897 DWPMRHMWSNHASQ-UHFFFAOYSA-N 407.565 1.888 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1cccc(C(N)=O)c1 1507711439 CBIOPNGTSVSNDB-UHFFFAOYSA-N 404.474 1.497 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507751956 QNAKIBQOZCQROQ-NVXWUHKLSA-N 405.568 1.889 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)NCCOC)CC1 1507867907 UXKKZGBPIACNLY-UHFFFAOYSA-N 418.929 1.995 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@H]2C[C@H]1CO2 1508093153 GXXNBKHNRKRNTM-HOTGVXAUSA-N 413.478 1.536 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2O)nnc1[C@]1(OCC)CCOC1 1508098260 NZPBJKIMAGTDKF-NRFANRHFSA-N 415.494 1.574 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1508152515 NAXVHDHGDWLGDB-WMLDXEAASA-N 415.585 1.424 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1509951176 VVMBZHGPWSSYDP-VFNWGFHPSA-N 407.478 1.945 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)nn1 1517016736 JXVYDASEQAETNP-OAQYLSRUSA-N 410.478 1.984 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N(C)C[C@H](C)C#N 1519353004 CLLQGBVWKVNOCJ-WBVHZDCISA-N 400.483 1.846 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1521039546 NLBLICUPFHAIAQ-UWVAXJGDSA-N 401.511 1.379 30 10 HDEE CN1C[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)N(C(=O)OC(C)(C)C)CC1=O 1524084087 OJXDAZXUVDTNOR-OAHLLOKOSA-N 406.870 1.906 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1524478887 WAHBIRHYWGSAMO-UHFFFAOYSA-N 417.267 1.026 30 10 HDEE COc1cc(OC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1C#N 1524748568 MEPZHBSXZDWDEX-CYBMUJFWSA-N 403.435 1.940 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1525981801 RFGXUAKNOUTMIB-QWQRMKEZSA-N 422.279 1.676 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@]2(CCS(=O)(=O)C2)C1 1526184426 CXUMVTPXCQMHJN-HXUWFJFHSA-N 415.519 1.578 30 10 HDEE C#CC1CCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])CC1 1530079359 FAEVPNCBJMNXPH-UHFFFAOYSA-N 423.491 1.876 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@]3(COC)C(=O)OC)cc2C1=O 1534048267 PPWHLQJFIHDTJB-OAQYLSRUSA-N 400.431 1.653 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1 1534302867 GRNMAWJBPZPCQA-SFHVURJKSA-N 404.426 1.206 30 10 HDEE N#Cc1cccc(COc2ccc(NC(=O)[C@@H]3CS(=O)(=O)CC(=O)N3)cc2F)c1 1536880709 VKXWDTOVSASQKP-INIZCTEOSA-N 417.418 1.128 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F 1538977402 VVVOUOSISZRPTP-BLLLJJGKSA-N 403.405 1.067 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539155605 YELHDPKHCMNZEJ-CRAIPNDOSA-N 415.460 1.884 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@@H]1C 1539246758 XBTKIIQEPKAPID-FUHWJXTLSA-N 411.531 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1S(C)(=O)=O 1539305527 FFTAVEAKVAKBEA-QGZVFWFLSA-N 415.519 1.733 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N(C)C)CCCC2)CC1 1539431687 WXKYWPXHKVLXIV-IBGZPJMESA-N 418.586 1.632 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN(C)C(C)C)CC1 1539438229 SGASIRAMVGFNFN-UHFFFAOYSA-N 411.510 1.949 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539513451 PCBNUMKFSNVJIM-INIZCTEOSA-N 411.491 1.976 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)Cc2c(C)cc(C#N)cc2C)c1 1540992770 ZIIFBRYTFULWBE-UHFFFAOYSA-N 415.471 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCCNc1ncccc1C#N 1544055019 GADQSBZXXWSQJO-INIZCTEOSA-N 415.494 1.897 30 10 HDEE C=CC1(CC(=O)N2CCSC[C@@H]2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1544255351 OKOYCDZBECRZHQ-AWEZNQCLSA-N 404.554 1.746 30 10 HDEE CCO[C@@H]1C[C@H](O)C12CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1544356113 SVFXCFMMGQMRSO-DLBZAZTESA-N 410.467 1.515 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1546856272 AGIFGNOHXXEPPB-YJBOKZPZSA-N 423.521 1.681 30 10 HDEE CN(C)C(=O)O[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1556709009 LSJPUWJAMUTGES-JKSUJKDBSA-N 413.434 1.062 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)NC1CCCCCC1 1556782489 JFLGRVHATZWPCX-ZDUSSCGKSA-N 415.537 1.859 30 10 HDEE C#C[C@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1557238102 GCCMSVZYYACXDQ-INIZCTEOSA-N 405.520 1.319 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)c2ncon2)cc1 1557271327 QVQLIJGKZLKJSY-KRWDZBQOSA-N 411.443 1.320 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cc(C2CC2)nc(SC)c1C#N 1558042316 AKUZYURBVUSYKD-CQSZACIVSA-N 405.476 1.977 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)Cc3ccc(OCC#N)cc3)CC2)C1 1558794195 FTIUXTNSRDHAGP-UHFFFAOYSA-N 414.506 1.895 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3[nH]cnc3Br)C2=O)cc1 1561461840 COSVZOHRDXHZMF-LBPRGKRZSA-N 424.280 1.518 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 1561957013 LHFQUAAPVFOVEP-UHFFFAOYSA-N 417.453 1.697 30 10 HDEE C#CCC1(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCC1 1563510286 PKLNIKDXVKVLEV-UHFFFAOYSA-N 405.520 1.594 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1565156586 MFYVANTVKJHMAZ-INIZCTEOSA-N 413.927 1.784 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2nn(C)c(C)c2C#N)cc1 1584807623 KBCNPRFXSNXWHW-UHFFFAOYSA-N 417.491 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)[C@H](O)c3ccc(C#N)cc3)O2)C1 1584914975 CHRXVPDRDUILTQ-IAGOWNOFSA-N 401.463 1.876 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 1587744182 LGTBLKKFAHNMTP-ZACQAIPSSA-N 419.503 1.615 30 10 HDEE C[C@@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1587889169 YBOZRLMAFZJUAC-XJKSGUPXSA-N 404.442 1.974 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1588128344 ILMOEEZJZRWPSS-UHFFFAOYSA-N 422.489 1.481 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCc2cccc(C(N)=O)c2)CC1 1588876455 AGRZDPYBXMRELA-LJQANCHMSA-N 408.506 1.226 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCCC2)CC1 1588877305 YWIJLNZJLFDCCJ-PMACEKPBSA-N 416.570 1.243 30 10 HDEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1594559785 QNNPQXOWMIARHR-LJQANCHMSA-N 422.555 1.411 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1595114928 AZUHBTKVRFHJSC-HXUWFJFHSA-N 402.520 1.898 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1595421555 PJSBCLOLMJXCLM-UHFFFAOYSA-N 415.567 1.564 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1595523553 YIXYVMYEAVDAJH-QGZVFWFLSA-N 411.510 1.527 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCC)CC1 1595543930 BUJGHXXKBUKFQG-KRWDZBQOSA-N 418.542 1.565 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)Br 1596841532 OKEFALPLBNMSFM-JTQLQIEISA-N 405.247 1.984 30 10 HDEE C=CCN(C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1597171205 UNNVNHRKYNYKTA-DNVCBOLYSA-N 416.540 1.340 30 10 HDEE COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccc(C)c(Cl)c3)S[C@@H]12 1614386310 XWXIBIPSFKQPFP-DGVSKKNDSA-N 413.927 1.214 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)c(C)c1 1617894187 CDURCLXZLMRPEY-FQEVSTJZSA-N 405.520 1.845 30 10 HDEE COC[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1619575644 BPIRXKIAKIUQJO-YOEHRIQHSA-N 403.508 1.723 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C(C)C)N2CCOCC2)s1 1623745502 GFYROHGRBKEQPI-INIZCTEOSA-N 415.581 1.228 30 10 HDEE CN1C(=O)CO[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)[C@H]1c1cccnc1 1623842419 LOOOVAOZXVGXGK-YADHBBJMSA-N 419.485 1.637 30 10 HDEE CCc1nccn1[C@H](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624067488 SXLGDPVYIUHJKP-MRXNPFEDSA-N 415.519 1.801 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1ccc2nc(O)[nH]c2c1)C(=O)OC(C)(C)C 1624200281 HYPIXBZHGCFNCW-UHFFFAOYSA-N 401.423 1.194 30 10 HDEE CCOC(=O)C1(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1625667470 ODMVCPVMSQNNRQ-UHFFFAOYSA-N 421.519 1.745 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1 1627063543 HUGLLIFIUSUQNL-UHFFFAOYSA-N 403.460 1.912 30 10 HDEE C=CCC1(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCOCC1 1628812248 VIOWZROHUCHQIO-UHFFFAOYSA-N 424.519 1.758 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nn(-c3ccccc3F)cc2Br)CC1 1630034334 NLSGOAKMJLUPFH-UHFFFAOYSA-N 420.242 1.972 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1631874569 XZMHEAPKKYFZHG-PWSUYJOCSA-N 423.413 1.240 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](c3nnc(N)o3)C2)ccc1F 1634172508 WMSXNGBLSBJQKQ-LBPRGKRZSA-N 409.443 1.275 30 10 HDEE CCOC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635128994 ISNQAWHUCLGNGG-KRWDZBQOSA-N 419.434 1.422 30 10 HDEE CCN(CC)C(=O)CN1CCC(NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)CC1 1636096090 DDHOJNJJIXEUFK-NRFANRHFSA-N 411.550 1.976 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CCO2)cc1 1637252035 FSGWGWQJZAPJFJ-QGZVFWFLSA-N 418.450 1.628 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2ncc(C(=O)N[C@@H]3CCCN(O)C3=O)o2)CC1 1637668047 UXVKMXOMMULREZ-CYBMUJFWSA-N 408.455 1.899 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C1 1638019055 RRERPGILPYJLNI-CQSZACIVSA-N 402.513 1.375 30 10 HDEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1638678771 RSBKXQTYIBSZBJ-UHFFFAOYSA-N 403.548 1.448 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1cc[nH]n1 1640264455 BVMXVZJECHWLJQ-CQSZACIVSA-N 415.450 1.097 30 10 HDEE N#Cc1cccc(Oc2ccnc(NCC(=O)NCC(=O)NCc3ccccc3)n2)c1 1640385360 YUIZEIWVONTOGT-UHFFFAOYSA-N 416.441 1.985 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@H](CC(F)(F)F)C2)c1 1642022779 GRRAAGZUSCEXML-JSGCOSHPSA-N 404.410 1.780 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCN(CC2CC2)C1 1642367179 GOHKTMLKGFTOLI-MAUKXSAKSA-N 404.536 1.463 30 10 HDEE C#CC1(O)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@@H]2CCCO2)C1 1648355666 SWXYMDPYXOBCRC-INIZCTEOSA-N 416.478 1.562 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCc2ncc(Br)n2C1)C(=O)OC(C)(C)C 1653640407 XVEILLWBFZTFRO-LBPRGKRZSA-N 411.300 1.947 30 10 HDEE CCNC(=O)C(C)(C)NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1654656199 CCWPFBURMDNZKD-HNNXBMFYSA-N 415.538 1.860 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2CCO[C@](C)(C#N)C2)sc(C(=O)N(C)C)c1C 1655732843 HNUOTMQMLUEKDQ-LJQANCHMSA-N 422.507 1.488 30 10 HDEE COc1ccc(CN(C)C(=O)[C@@H](C)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1F 1656344779 ZDOCNPGDQKBUSO-FRIZHTMISA-N 409.483 1.051 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C1CCOCC1 1664580080 PFKBVNNGROYFEU-HNNXBMFYSA-N 405.925 1.591 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 1677378656 NXCSIAIKFDWNNA-QHCPKHFHSA-N 411.594 1.981 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC(O)(c2cccc(Br)c2)C1 1680683975 BDZJJURNSAOCFQ-UHFFFAOYSA-N 403.298 1.263 30 10 HDEE Cc1cc(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1S(N)(=O)=O 1682201262 CFDLKKGHDCLBNM-KRWDZBQOSA-N 402.476 1.389 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(N4CCC(O)CC4)cc3)CC2)cn1 1682986684 LYGTXHXLHRFFLP-UHFFFAOYSA-N 420.517 1.946 30 10 HDEE C=CC[C@@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684246887 INCTXZABYMGYPF-GJZGRUSLSA-N 411.499 1.555 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1 1687235695 NDWJCHGZGKJTSH-UHFFFAOYSA-N 409.412 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1689848538 XFYRDMBQMBPQDH-HNNXBMFYSA-N 421.505 1.518 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1690020131 ZFQXKIHLUKMOAY-RBUKOAKNSA-N 417.579 1.375 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1690074311 XYTLTVVHOVMRQZ-OAHLLOKOSA-N 407.478 1.632 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1690075774 UERNVQLHLYNNPK-IBGZPJMESA-N 410.522 1.912 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccco2)N(C)C)CC1 1690128729 IWAAYKKDWTVDSF-FQEVSTJZSA-N 419.533 1.915 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-n3cccn3)cc2)CC1 1690133799 UPDAOZXLXSZPFN-UHFFFAOYSA-N 405.506 1.804 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690175523 ZAFCYZMWSHGBBW-UAGQMJEPSA-N 424.592 1.550 30 10 HDEE C=CCCCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690464587 GEDOFGCWRHYOJL-UHFFFAOYSA-N 408.528 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCOCC1 1690669732 NJWQFOBHVOFESR-UHFFFAOYSA-N 409.450 1.123 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@H]2C)C1 1690684265 CDHWYBSYOLEGQF-FGTMMUONSA-N 403.527 1.968 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690742279 LMFRTSPZLYPQEZ-HOTGVXAUSA-N 420.583 1.891 30 10 HDEE CC(C)Cc1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1692235638 PGLXOYJRGUIGAA-AWEZNQCLSA-N 406.512 1.460 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694823733 STXOQGTZGSLCFA-MIKJEETESA-N 414.510 1.933 30 10 HDEE CCC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCO1 1695160257 GQTDKQJWOSDLJD-SFHVURJKSA-N 422.493 1.911 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1696021060 ALTKDNLIUJMZSA-UWJYYQICSA-N 420.558 1.637 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC[C@H]1C 1697678497 QOZHRYYNKPIOLP-ZWDAVXSWSA-N 410.522 1.745 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCC1(F)F 1705574054 TUQOGJXTNPUELQ-CABCVRRESA-N 413.494 1.787 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1705583067 PKIJDGVWRGXCDA-MRXNPFEDSA-N 417.510 1.430 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC[C@H]1COCCO1 1705600123 MTJRUDCBBWHVHY-FQEVSTJZSA-N 418.501 1.785 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCOC[C@@H]1C 1705629502 KUUIDIBKSNWEEI-FQEVSTJZSA-N 411.550 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H](C)N(CC)CC)CC1 1705649972 IUHYDUNUEZNUMU-KRWDZBQOSA-N 400.571 1.927 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@H](n2cncn2)C1 1705929920 ALZVXNPEYRJVOJ-CVEARBPZSA-N 407.544 1.825 30 10 HDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1705944816 SZZPUCSFRSVNKN-KRWDZBQOSA-N 412.519 1.687 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1706020258 ONWAFQBDGMUFDC-KNQAVFIVSA-N 424.505 1.727 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1(N(C)C)CCC1 1709141751 CYNFNWLIEJNIFY-MRXNPFEDSA-N 409.542 1.702 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1710331049 QJWJKNWYKZVSQB-UHFFFAOYSA-N 420.477 1.111 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCOCC1 1722376946 JAWUYICAHBBJHJ-UHFFFAOYSA-N 402.462 1.420 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)C1CC1 1722407947 WICCRYIXILVERP-UHFFFAOYSA-N 405.510 1.865 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)N(C)C(=O)OC(C)(C)C)CC1 1722441276 JQOSMCWDVFQYAS-QGZVFWFLSA-N 420.558 1.825 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS2)CC1 1722445674 AGLUEVMWVZMVIE-INIZCTEOSA-N 411.535 1.597 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)C2CC2)CC1 1722450483 KBDDDVSSXYLMBE-DYESRHJHSA-N 401.511 1.256 30 10 HDEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1722562052 JUPBMTUVJJUBHU-LJQANCHMSA-N 406.483 1.790 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(CO)CC1 1722728972 CQFAWOFVAWQTGU-UHFFFAOYSA-N 405.524 1.073 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)OC 1730476058 ATQYSXIFDWDUFN-IAGOWNOFSA-N 421.885 1.901 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1730824476 KEEOAQLRRCINAU-GOEBONIOSA-N 404.515 1.657 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCC(=O)N2)cc1 1731183184 YHPOQGJYANTGRV-GOSISDBHSA-N 421.505 1.577 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)[C@H](C)CCC 1740531380 KTMSLEBPDCEYRZ-HZPDHXFCSA-N 411.510 1.936 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1740575578 UAYCZXYWYGLPCB-SQNIBIBYSA-N 423.583 1.897 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740592770 HOTDKJMGZTUTSA-UHFFFAOYSA-N 404.478 1.264 30 10 HDEE C#CCCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740596293 AJLLZDJCCCTSOR-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740663125 ZNKFBCIXWDUVMH-SFHVURJKSA-N 408.911 1.608 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1740672051 VQFGIZYYHSCRBF-GOSISDBHSA-N 416.503 1.851 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)OC 1740676923 CECFCDPRYSSCDH-GJZGRUSLSA-N 423.514 1.702 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 1740767790 ZHEOZTDJVMWGDH-HOTGVXAUSA-N 410.588 1.775 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1740799362 JRDQEMUMZHTHCZ-UHFFFAOYSA-N 420.558 1.743 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1740836457 VKFDUZIQZRDGMA-UHFFFAOYSA-N 400.508 1.768 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1740954008 ZBJCLMHTCCKDGR-MSOLQXFVSA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1740954465 NJMVQYKBTVMPMJ-OALUTQOASA-N 422.489 1.503 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1740995222 DUBPGDGOUXHWQV-HNNXBMFYSA-N 406.556 1.525 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1741126478 SCNBKIGANHWGDB-UPJWGTAASA-N 416.498 1.920 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OCCOC 1743783992 RVUGPTFOZMXHTG-NVXWUHKLSA-N 400.483 1.989 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1743893573 BDUPGVJECKHEQC-GOEBONIOSA-N 401.515 1.664 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(Cc2ccccn2)n1CCCn1cnnn1 1747707074 KSZPRLVGRWSRIN-UHFFFAOYSA-N 414.477 1.849 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1748670871 DEDFHRQOGXWNNU-DOTOQJQBSA-N 402.520 1.889 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1748724582 FQNRKDHXLWGHDM-SFHVURJKSA-N 414.554 1.897 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCn1cc([C@H]2CCOC2)cn1 1748887048 QXWHVLCBSCIPSJ-SFHVURJKSA-N 416.489 1.599 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2sc(C)nc2C)CC1 1748989868 DBFZFPFMZVNKKT-INIZCTEOSA-N 413.551 1.300 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2c(C)noc2C)CC1 1748994638 LEOFOZOCDQBBEN-UHFFFAOYSA-N 408.510 1.548 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H]1C 1749658283 MQNDVUYDHBFIHB-HUUCEWRRSA-N 407.482 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1ccccc1OC 1749664071 WCNZDBYCMUAHOO-UHFFFAOYSA-N 409.494 1.668 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccn(C)n2)C1 1749697160 IATOYLZDNXHTLS-PXNSSMCTSA-N 402.499 1.493 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1750381092 IBOZMWTWVDMBPH-HUUCEWRRSA-N 402.405 1.553 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1750793418 RWXRPXYMAFRJFQ-GOSISDBHSA-N 418.542 1.797 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CC=CCO1 1751206954 KDAORALJSPRPSG-GOEBONIOSA-N 408.528 1.363 30 10 HDEE Cc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(O)CCS(=O)(=O)C1 1751660044 HJTZAUPIYRUKFJ-HNAYVOBHSA-N 403.508 1.542 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)n1 1751843073 BYHUYYNVCHMAHJ-HXUWFJFHSA-N 408.466 1.354 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1760099579 ITZFBXYHNANKAH-DYESRHJHSA-N 416.526 1.668 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1760115914 CWVYIJSOXICKII-CHWSQXEVSA-N 407.462 1.132 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1760253994 LINRUBOJLAGZFJ-RTWAWAEBSA-N 415.630 1.820 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1760278558 YLBNOZJUUSAMBR-HUUCEWRRSA-N 409.581 1.908 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 1760443885 PMZDWUOGEKFJMG-UHFFFAOYSA-N 411.514 1.784 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760527263 QKFTWRWYCPGBKJ-IRXDYDNUSA-N 411.462 1.480 30 10 HDEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1760675635 PPHHQOPUHLZUDD-FQEVSTJZSA-N 410.482 1.582 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@@H]1C 1760930163 HKGPFOCKKTWOPS-SFHVURJKSA-N 424.553 1.715 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1762452041 VLLDSSXDLHPIFJ-CVTQAYBASA-N 424.509 1.655 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1767571239 DILZJXDJIIINRL-ZDUSSCGKSA-N 406.437 1.917 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1([S@](C)=O)CCC1 1769996215 VWPUIPVBSQJTBU-AZMQUPJVSA-N 413.519 1.745 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1770054319 YNWCOKRWUAQHOX-FGTMMUONSA-N 420.558 1.851 30 10 HDEE O=C(NCc1ccc(F)cc1)c1nccnc1C(=O)ON1C(=O)c2ccccc2C1=O 1772790540 DYJHKLWXXOTZPU-UHFFFAOYSA-N 420.356 1.914 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1849906211 RVVBVBWDMBPHGV-UHFFFAOYSA-N 404.414 1.032 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)c1cnc(O[C@H]2CCOC2)c(Cl)c1 1850193713 DYSTWUAJAXZEKZ-NSHDSACASA-N 407.835 1.782 30 10 HDEE C=CCN(C(=O)Cn1nc(-c2cccc(Cl)c2)ccc1=O)[C@@H]1CCN(C)C1=O 1850971579 DKNDNBQQARXBMQ-QGZVFWFLSA-N 400.866 1.809 30 10 HDEE COc1ccc(N2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2=O)cc1 1851788860 SZOOREKYUTVTLL-UHFFFAOYSA-N 404.430 1.715 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc(-c4ccc5c(c4)OCO5)on3)CC2)n1 1851806229 GEOXCAJWDWOOFU-UHFFFAOYSA-N 404.386 1.694 30 10 HDEE C[C@H](C(=O)N(C)c1snc(N2CCOCC2)c1C#N)N1Cc2ccccc2C1=O 1852379531 AAWGSZGIMRTLTF-CYBMUJFWSA-N 411.487 1.859 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CN2CCN1CC2)c1cccc(C(F)(F)F)c1 1852702868 GPKUKHUHWXVAKG-OAHLLOKOSA-N 413.469 1.913 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccnc3)on2)C1=O 1854169341 UBGJSMBMAUPNJU-DLBZAZTESA-N 409.446 1.196 30 10 HDEE Cc1ncccc1C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854366472 IVXIUWGDMADJCN-GOSISDBHSA-N 405.462 1.004 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)C1 1854599449 LVTLMAJLVFXLPX-HNNXBMFYSA-N 411.549 1.396 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCN(Cc3ccccc3)C[C@@]23CCOC3)C1=O 1854804122 JIBXLIDJVGAEEJ-NFBKMPQASA-N 410.518 1.785 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCN([C@@H]4CCN([C@H](C)CCC#N)C4)CC3=O)n2c1 1854967123 JVFBPCRLORAXLC-QZTJIDSGSA-N 408.506 1.694 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)cc1F 1855046609 XKVLNEYCQAVJOJ-PBHICJAKSA-N 414.481 1.904 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CC(Oc4ccccc4)C3)CCC2=O)CC1=O 1856975252 KQADOFPZGDXWAE-QZTJIDSGSA-N 411.502 1.549 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2cc(C)ccc2C)C1)[C@H]1CCN(C)C1=O 1857316132 FVSOJRWSGUSXOF-OALUTQOASA-N 413.518 1.776 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)Cc2ccc(N3CCOCC3)cc2)c1 1866906156 KSQFMHZRBCSJJW-HXUWFJFHSA-N 408.458 1.053 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)cc1 1870095214 DNOWUJQFNOKLQV-UHFFFAOYSA-N 422.430 1.774 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(CC)CC2)cc1=O 1870558620 IDSNKTYZKKYWGL-UHFFFAOYSA-N 400.523 1.010 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653859 JFCPUZRTLLXHGM-UHFFFAOYSA-N 419.892 1.978 30 10 HDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCC(CO)CC3)ncnc21 1873595406 BDEJTSWDDCHCFC-UHFFFAOYSA-N 423.521 1.843 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](Oc3cncc(OC)n3)C2)cs1 1889577662 HMHLIDFOUAYSKY-GFCCVEGCSA-N 403.464 1.541 30 10 HDEE C#CCN1CC[C@@H](NC(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1994286534 HYOCSJYPUKFNSB-UXHICEINSA-N 414.550 1.835 30 10 HDEE Cn1nc(Br)cc1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2074364472 MZKUXUUXWIPXHK-DGCLKSJQSA-N 413.320 1.627 30 10 HDEE CO[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)N(C(=O)OC(C)(C)C)C1 2118172155 YLSWMEJQKMSMGK-VXGBXAGGSA-N 401.510 1.922 30 10 HDEE CC1(CS(C)(=O)=O)CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2173178922 LMRJTJFZTUBOMX-UHFFFAOYSA-N 400.737 1.905 30 10 HDEE COC(=O)[C@H](C)CS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2183620617 SRMZKARXJHQIAP-LLVKDONJSA-N 403.331 1.276 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2192573635 SJGPSSMUIFQHQG-WXSBMKBZSA-N 420.557 1.478 30 10 HDEE C[C@H](O)CN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243425512 NIEAEHHHLHHVSE-AWEZNQCLSA-N 400.288 1.138 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C2)C1 2247803125 BFHYBOKMYBLMRO-OAQYLSRUSA-N 420.315 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247830400 ZPQRTNCTWYABCT-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE Cn1cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247917546 KFJMQRJTCUQYBM-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)NC(=O)OC(C)(C)C 2247944682 QSYMZDDNWAGUHI-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)NCC(C)(C)CC#N)NC(=O)OCc1ccccc1 2258152494 FCAQAZYLAFNODE-HNNXBMFYSA-N 411.480 1.314 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)Nc2nc(CN)cs2)OC1(C)C 2267470277 IAQCTODDMUOUGO-UHFFFAOYSA-N 401.344 1.763 30 10 HDEE COCC[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282053196 SZOSGRGQTHXDJU-SANMLTNESA-N 402.709 1.919 30 10 HDEE CCOC[C@H](O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315051 JAUMLSGEFFGQEB-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCCS1 2282335538 QTLCCEGOKLWZSA-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)NC 2282409795 SBQHJZGXQNMRIE-LLVKDONJSA-N 402.347 1.159 30 10 HDEE C[C@H]1C[C@@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493212 RYGKPDKORHPXFR-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CC[C@H]3O)ccc2Cl)OC1(C)C 2282506074 MVPHFQBWOJUIOX-XHDPSFHLSA-N 401.721 1.688 30 10 HDEE Cc1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282602068 NQCQOALYKOCARL-LLVKDONJSA-N 401.359 1.861 30 10 HDEE Cc1cc(S(=O)(=O)NOCCCN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836410 JNTXNBFWZKQUFH-UHFFFAOYSA-N 404.363 1.517 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H]2CCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282843189 JNXFYBVOMJSONN-STQMWFEESA-N 401.359 1.890 30 10 HDEE C[C@@H]1CN(C)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856329 QTVPCDDLFVZTEF-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCNCC2)OC1(C)C 2282882088 HASQGQREZAKIBN-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE C=C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284400175 SKQVQRUCGPXSHO-LBPRGKRZSA-N 401.677 1.557 30 10 HDEE CO[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284447671 PCXVDIHWXRDMFY-JTQLQIEISA-N 403.693 1.920 30 10 HDEE Cn1nnc(Br)c1[C@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2296217064 QFSCQMLIWYAKLA-CMPLNLGQSA-N 400.074 1.753 30 10 HDEE C#CCCN(CC(=O)O)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314869548 XWAYVUWAVVGXGQ-UHFFFAOYSA-N 406.460 1.193 30 10 HDEE COc1cc(C=Nn2c(CC(C)C)nnc2SCC(N)=O)cc(OC)c1OC 2331445430 VHQQIERMMRWQKC-UHFFFAOYSA-N 407.496 1.962 30 10 HDEE C#CCCN(CC(=O)O)C(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2336520393 YTSKOZSINQTMRC-UWJYYQICSA-N 402.447 1.739 30 10 HDEE CCCN[C@H](C#CC(C)(C)OC)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363511352 PESOOYPEQMPVBC-DNVCBOLYSA-N 402.557 1.865 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363530612 XCVXVOXHNPUUCN-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2365205337 AGCYLCQPOCKCBJ-SPYBWZPUSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@H](C(F)(F)F)C1 2367802840 FOTFXJVHXMEEHT-UPJWGTAASA-N 410.458 1.940 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCCC1 2367813450 DMJOREJOVXEXMO-CABCVRRESA-N 400.541 1.483 30 10 HDEE CCC[C@](O)(CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)NCC 2367823714 JACJZMMVKPHBTB-BEFAXECRSA-N 402.557 1.601 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 15445473 FZSDRMUUABFMJS-UHFFFAOYSA-N 409.475 1.040 30 10 HDEE Nn1c(N/N=C/c2ccccc2O)nnc1SCC(=O)NCc1ccc(F)cc1 20527335 FMFUFJJMHFRXOS-LSHDLFTRSA-N 415.454 1.691 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 22810583 INAXKXSBKZYUFO-UHFFFAOYSA-N 403.914 1.506 30 10 HDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 44360521 PPFSSTMPCZXHIC-IWHJNQCMSA-N 423.516 1.527 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OCC)cc2)CC1 52304792 RWAKJCICAPHZAG-OAQYLSRUSA-N 414.550 1.669 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccn2)[C@@H](C#N)C(=O)N3)CC1 72444658 UPBGAISAVHWDNE-UKRRQHHQSA-N 422.445 1.168 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCNC3=O)cc2)cc1 96353185 KQSABIWQGWDRGW-UHFFFAOYSA-N 412.471 1.505 30 10 HDEE CC(C)S(=O)(=O)[C@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 108618682 LUJMOQGMOGIGNG-CYBMUJFWSA-N 421.498 1.726 30 10 HDEE CNS(=O)(=O)CCCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 111165500 JPTSUARPIRYPTE-UHFFFAOYSA-N 405.505 1.819 30 10 HDEE C=CCN(C(=O)CN(C)S(=O)(=O)c1cccnc1)c1nc(C(=O)OCC)cs1 409824957 VWLKYVABNSHPFC-UHFFFAOYSA-N 424.504 1.555 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)cc1 429479484 XIYVKTWZXCKZLT-LXZKKBNFSA-N 406.508 1.624 30 10 HDEE C=CCNc1ncc(C(=O)N2CCN(c3ncc(C(=O)OCC)s3)CC2)s1 433214122 RSMQTOJUMVSFNK-UHFFFAOYSA-N 407.521 2.337 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)Nc1ccc(N2CCC2=O)cc1 439756304 BMTWVNXPMKODQU-UHFFFAOYSA-N 419.485 1.824 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)c1C#N 441954569 KDAQCKJVGOCYGU-MRXNPFEDSA-N 404.536 1.620 30 10 HDEE COC[C@@](C)(NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 464506504 FHAPWEPAXQXPFZ-SUMWQHHRSA-N 412.368 1.847 30 10 HDEE Cc1noc(C2CCC(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 482841169 WWYABRJKLFIDJH-JQRITLKVSA-N 417.491 1.759 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cc(-c4ccccc4)nn3)C2=O)cc1 485990966 PQVPRFIQUJWXDI-LJQANCHMSA-N 400.442 1.734 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NCCCc2nnc3ccccn23)cc1 490444638 LUHZISJAZHYTJE-UHFFFAOYSA-N 421.461 1.724 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc(OC)c(OC)c2)CC1 492418238 MAICMPUTDWQLCW-UHFFFAOYSA-N 403.479 1.113 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 502165435 IWVRXAMJZCBIPP-OAHLLOKOSA-N 411.506 1.334 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OC 503582659 DZHCRMPOHFWIRY-UHFFFAOYSA-N 409.446 1.780 30 10 HDEE Cn1ncc2c(N3CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC3)ncnc21 505752930 LODVUNZQLXIHBY-FQEVSTJZSA-N 413.482 1.274 30 10 HDEE C=C(C)COc1cc(CN2CCN(CC(=O)N3CCOCC3)CC2)ccc1OC 506018269 ZMXBGFABMHCHOT-UHFFFAOYSA-N 403.523 1.627 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508496244 CZVDZEQYZAMODH-FQEVSTJZSA-N 405.466 1.213 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 508498969 WOQHIWOWGXRJQD-UHFFFAOYSA-N 418.479 1.840 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 508507733 IZRJGCMMTYLVCY-JKSUJKDBSA-N 416.551 1.613 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508936939 ASDGDCISQKCCAG-KGLIPLIRSA-N 423.543 1.965 30 10 HDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 509012598 NKIYITRTHNCQBV-INIZCTEOSA-N 422.493 1.595 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)CC1 524038627 QRKYIYKYSTXRKD-UHFFFAOYSA-N 421.929 1.628 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cncc(N3CCOCC3)c2)cc1 536049208 FBGMJTFWKAMWAK-IBGZPJMESA-N 423.498 1.944 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)n2)CC1 538587299 QASQYFSHHKKMLZ-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc3c(c(C(=O)O)c2)OCCO3)ccc1C#N 563259067 OLHFZYHECVINJN-UHFFFAOYSA-N 404.400 1.515 30 10 HDEE CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)ncn1 586859247 XMFSBPLSUQOFGL-KRWDZBQOSA-N 410.453 1.451 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)c(F)c1 586862137 LEIBJRYYAFGXRV-UHFFFAOYSA-N 416.497 1.665 30 10 HDEE CC[C@H](C)N(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 608920074 RBUQFYXZQQIESS-INIZCTEOSA-N 407.540 1.304 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 619741336 NKFRVKPDVIEMCP-CQSZACIVSA-N 406.468 1.557 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@H]3CCC4(CCOCC4)[C@H]3O)CC2)nc1 619817048 BEWZHWASQCFICM-PXNSSMCTSA-N 413.522 1.789 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)O)C2)cc1 679097951 WFIQVSAYNJVDFN-SFHVURJKSA-N 400.456 1.975 30 10 HDEE C#C[C@@]1(O)CCN(S(=O)(=O)c2c(Br)cc(N)cc2Br)C1 708090287 RMQTWWVGBJMEAP-GFCCVEGCSA-N 424.114 1.553 30 10 HDEE COCCOc1ncccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 728029606 ZUDUBTROBSGBCC-UHFFFAOYSA-N 418.475 1.564 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCCN2CCOC2=O)CC1 728401811 WABXXYNGTKRJFR-UHFFFAOYSA-N 414.422 1.480 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@H]1CCS(=O)(=O)C1 729331148 KAUMUMIOOGEOFS-INIZCTEOSA-N 424.469 1.466 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1C 732664011 AURRPHRZWLHVRF-SFHVURJKSA-N 404.536 1.561 30 10 HDEE CN1CCN(CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@@H](c2ccccc2)C1 732673637 BFXRIVNRPLZPHP-FCHUYYIVSA-N 410.566 1.747 30 10 HDEE N#CC(C(=O)N(CC(F)(F)F)C1CC1)=c1sc(=Cc2ccoc2)c(=O)n1C1CC1 732796326 BXBBUFFVCYSFAM-UHFFFAOYSA-N 423.416 1.894 30 10 HDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 733614632 KPOQLGJMDBFBNC-UHFFFAOYSA-N 408.524 1.699 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 738169588 KDPKYUOFNCAZPS-NFBKMPQASA-N 424.549 1.385 30 10 HDEE CC[S@](=O)CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 741421937 RYECOGHHUQLDLG-LXGMGKJTSA-N 400.526 1.390 30 10 HDEE COC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1cccc(F)c1 746230237 YZYWEVXFTJHGJS-JGWKNBOWSA-N 403.410 1.190 30 10 HDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746295383 HKBWNDWGVZNDHK-SIUCFOQUSA-N 411.506 1.230 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747496062 GSOCHMLWCRNDTK-UHFFFAOYSA-N 416.459 1.583 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 747980450 VKMLJSVDZAJJLG-AWEZNQCLSA-N 406.508 1.290 30 10 HDEE Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 748414630 QDOMBICXJQTLDP-KGLIPLIRSA-N 415.471 1.937 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)C(=O)C2)cc1 748946082 WNIYASMYRAWTBH-FXBPSFAMSA-N 419.507 1.338 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)c1 750420329 BSFVEHRLIUWQQL-YQQAZPJKSA-N 422.532 1.230 30 10 HDEE CCc1c(C(=O)OC[C@@H](C#N)Cc2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 754548509 XFHZRHDMJABEPA-OAHLLOKOSA-N 406.442 1.734 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)cc(F)c2)c1=O 755626686 BWVHLRFDFTYSGA-UHFFFAOYSA-N 404.438 1.707 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2cnc(C3CC3)nc2)ccc1F 756089129 ZXAQCBACAKUZOF-UHFFFAOYSA-N 404.467 1.930 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)N1CCOc2ccccc21 757061562 WKPGNBLBWANCHZ-MRXNPFEDSA-N 420.473 1.591 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CCCCC1 760387680 FWUJGPVPZQALOI-UHFFFAOYSA-N 417.487 1.869 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1Cc1ccon1 765146883 XZDRRQNEKZUEIL-UHFFFAOYSA-N 419.466 1.322 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCOC[C@H]1CCO)CCCC2 767596901 DVSADKCDUYXXMS-IAGOWNOFSA-N 416.522 1.439 30 10 HDEE C#CCN(C(=O)NC[C@H](OC(C)C)c1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 771371976 MMAROUZKAXIJRF-APWZRJJASA-N 408.520 1.993 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@H]2C[C@H](O)c2ccco2)CC1 774661235 NCALECMUCWXGDZ-QYZOEREBSA-N 404.511 1.096 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2cccc(C#N)c2)[C@@H](C)O)cc1C 777289629 AMHBREGVDLIVIS-DNVCBOLYSA-N 402.472 1.946 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2ccco2)CC1 780181321 XOBJTKRDILCANG-OAQYLSRUSA-N 419.478 1.729 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(CC#N)CC2)[C@@H]2CCCO[C@H]2C1(C)C 783637429 DAXKTIOXSYZFLQ-ZOCZFRKYSA-N 406.527 1.753 30 10 HDEE CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)N1CCOCC1 786595030 BNCVZGFSPZZESL-LJQANCHMSA-N 416.522 1.436 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(CCCCCCC3)C2=O)n1 788369546 JYYDXUYESSZYSD-UHFFFAOYSA-N 401.511 1.957 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)n1 790118910 KGAKDRHOMQACML-LJQANCHMSA-N 400.504 1.718 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc([C@H]2CCCO2)[nH]n1 792683686 WFSMXZLRDKUIBW-CQSZACIVSA-N 403.464 1.719 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)NC2(C#N)CCC2)[C@@H]1c1cncn1C 796084614 COOGUDAXKKVWHY-RDTXWAMCSA-N 401.467 1.215 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N 804265500 IYPFHTAQWTVVGW-INIZCTEOSA-N 416.478 1.699 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C[C@H](O)Cc3ccccc3)CC2)o1 811404761 HHFYWCBCLJKEKX-QGZVFWFLSA-N 412.446 1.040 30 10 HDEE COCCCNC(=O)[C@H](C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916871115 QDBKFYKAIUDHHL-FUHWJXTLSA-N 403.454 1.468 30 10 HDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)NCc1ccco1 1084176643 ZORJCOYFMYSQLK-UHFFFAOYSA-N 416.423 1.348 30 10 HDEE CC(=O)c1c(C)nc2c(c1-c1ccco1)C(=N)C(C(=O)NC1=CN(C3CC3)NO1)=[S+]2 1085980910 CYXKMDFXUNGLCV-UHFFFAOYSA-O 424.462 1.677 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 1116562550 LTHSUKTVICFHMC-CYBMUJFWSA-N 402.563 1.903 30 10 HDEE COCCN(CC(=O)OC)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1136769685 VKLCYHSXGDNEQI-CHWWFWEZSA-N 409.483 1.421 30 10 HDEE C[S@](=O)CCN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136899806 MNNXVTXEXHYREG-HJWYETAXSA-N 414.572 1.486 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1141893376 FJWCTFPXPHASKM-UHFFFAOYSA-N 411.436 1.937 30 10 HDEE Cn1cccc1[C@H]1COCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1153958182 CGDPWVDSXCSZAP-MRXNPFEDSA-N 402.476 1.054 30 10 HDEE CCOC(=O)C[C@@H](SCC#CCN1C(=O)c2ccccc2C1=O)C(=O)OCC 1166122517 DJXSCMLGAUPELY-MRXNPFEDSA-N 403.456 1.904 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CCOCC1 1192285802 JMWLJDPZVJEHGL-UHFFFAOYSA-N 406.501 1.991 30 10 HDEE CN(CC(=O)NCC(=O)Nc1ccc(F)c(F)c1)C[C@@H](O)c1cccc(C#N)c1 1195876926 PMYXOAQXJLVGIJ-GOSISDBHSA-N 402.401 1.557 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)N1CCO[C@H](C#N)C1 1213870638 GZUILHQNKLLNOE-DJIMGWMZSA-N 422.507 1.236 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2)nc1 1226122413 FHVDOLHVCHCAMS-UHFFFAOYSA-N 414.462 1.494 30 10 HDEE CNS(=O)(=O)c1ccc(CC(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 1261859728 CGYGNFSTTCEWLI-SFHVURJKSA-N 402.428 1.466 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286393065 JJFSODDSJLJBTL-ROUUACIJSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286408013 YWQROANPLWLFKK-GOEBONIOSA-N 408.531 1.932 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)NC 1286422750 AUWLUBPAPNIHFK-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC[C@@H](C(F)F)N1CCOCC1 1286450378 QOQXSRCNMSALGI-INIZCTEOSA-N 424.496 1.216 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC=C(COC)CC1 1286556898 RXZCHPJFIXSEEW-LMMKCTJWSA-N 401.511 1.993 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)=O)C1 1286754968 XZVMANRADFEXGJ-RDJZCZTQSA-N 424.571 1.325 30 10 HDEE CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1292142281 PIDQLLDAWMRDGP-GJZGRUSLSA-N 421.498 1.237 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1292493940 DGMHOLPEJXOKDA-JKSUJKDBSA-N 409.531 1.277 30 10 HDEE C#CC[C@]1(C(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CCCN1C(=O)OC(C)(C)C 1292514198 FTIZSPTZKICAOF-KGVIQGDOSA-N 405.539 1.837 30 10 HDEE C[C@H](CC(=O)NCCCO[C@H]1CCCCO1)/N=C1/NS(=O)(=O)c2ccccc21 1297421693 SSZDSQDJEPKIMD-KDOFPFPSSA-N 409.508 1.553 30 10 HDEE C#Cc1ccc(CNC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cc1 1298092463 IDFKXVSNDOOBDE-QGZVFWFLSA-N 406.504 1.708 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1298177690 BTPUUMQUCNANLB-KGLIPLIRSA-N 403.298 1.821 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300422894 AOAKRCWIGBXSJJ-INIZCTEOSA-N 418.519 1.902 30 10 HDEE C#CCCCn1c(N2CCC(N3CCCC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1300425339 UEKNZMVYMPTYEQ-QFIPXVFZSA-N 415.538 1.935 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)N(C)C)c1 1300506632 WTQAWHSHEBHHFF-UHFFFAOYSA-N 418.501 1.337 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1300760557 DVIRLPBOGSCVTP-INIZCTEOSA-N 403.552 1.740 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300989777 QTZPTBISNVTHSB-RBUKOAKNSA-N 416.526 1.785 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1300996330 DCRMNGVUHBSLGO-SJORKVTESA-N 416.482 1.847 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(N(C)C)CCOCC1)C1CC1 1301329444 HSYRERVOONJGHE-UHFFFAOYSA-N 402.543 1.666 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@H]1COCCO1)C1CC1 1301331784 UQJZCJKERYTFJN-HNNXBMFYSA-N 403.508 1.840 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1301498167 JYISAHUJGINDCM-BBRMVZONSA-N 412.469 1.794 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN2CCCC[C@@H]2C1 1301577556 LIRIBRRPSOYRCN-QGZVFWFLSA-N 416.551 1.615 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(CCO)(CCO)CC2)ccc1F 1302424355 VJCXKFMGDZQWJC-UHFFFAOYSA-N 414.499 1.277 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nc(C)c(C)[nH]3)CC2)c1 1303723616 SPDKPYUYJGWLEM-UHFFFAOYSA-N 400.504 1.958 30 10 HDEE C=CCc1cc(CNC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)cc(OC)c1OC 1311749007 WGVCOWQXXCVDHS-STQMWFEESA-N 407.467 1.298 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3ccccc3CC[C@@H]2C(C)C)CC1 1312458361 BQAIZMKXJRVWDA-UYAOXDASSA-N 418.563 1.741 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](NC3CCOCC3)C2)C1 1312468814 IFOWNNYBDCHSSH-JQHSSLGASA-N 421.542 1.688 30 10 HDEE COCCCn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316038522 NKCZXUPJVVITOQ-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 1318923131 ASUUDMDAMUCTEQ-RSGAMAQESA-N 405.476 1.437 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3cccc(F)c3C#N)c2)NC(=O)NC1=O 1320057101 IECDUNWGFKVTJB-GOSISDBHSA-N 402.407 1.230 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C1 1325750254 AXCVPGOURQBXAY-YISTTZDESA-N 401.551 1.613 30 10 HDEE Cc1nc2c(c(C)nn2C)c(C)c1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1349456122 HENXEWXHBQENQR-UHFFFAOYSA-N 408.466 1.506 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1357414455 WKGZBOIBJJNMHN-IAGOWNOFSA-N 410.492 1.130 30 10 HDEE C#CCN(C(=O)[C@H](C)OCCC=C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358757747 MEPOFCGUMRDLHA-MLYQTUFZSA-N 400.519 1.844 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358889432 BSEXOKLYZPJBIM-ARFHVFGLSA-N 415.460 1.893 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1358957440 URNBVKMNKXCCPM-MJGOQNOKSA-N 422.938 1.774 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358960533 GSQMIIUTXQBIOG-SJORKVTESA-N 415.519 1.393 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCOC[C@H]1OC 1358997325 OGGWCCUHCVGMJQ-VQTJNVASSA-N 410.522 1.654 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359212056 YQOZYSLRIHGAQK-HNNXBMFYSA-N 407.482 1.554 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(CS(C)(=O)=O)CC1 1359244016 MVVHSZMKTLXVOC-UHFFFAOYSA-N 423.564 1.717 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359297580 VHRXHYRVCBELAE-BTYIYWSLSA-N 415.469 1.771 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@](C)(O)C1CC1 1360693058 DRNSIVJQHARSPJ-DOPJRALCSA-N 410.544 1.179 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1C(=O)OC 1440075127 HOKIQYPLFRATMB-IRXDYDNUSA-N 412.398 1.764 30 10 HDEE Cc1cc(C(=O)NCc2ccnc(C#N)c2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1448862173 FPOMHPCZDFOXHQ-UHFFFAOYSA-N 423.498 1.997 30 10 HDEE Cn1cnnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1450105945 CNDBOHNRRANFEQ-CHWWFWEZSA-N 402.499 1.651 30 10 HDEE C[C@@H](C(=O)NCc1ccc(C#N)cc1F)N1CCN(C(=O)OC(C)(C)C)CC1=O 1456101749 OJQNDWCPPSJTOR-ZDUSSCGKSA-N 404.442 1.781 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)n2CC)c1 1458859665 JOMABRQATZWDMK-UHFFFAOYSA-N 414.491 1.556 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)COC2CCN(C)CC2)n1 1464713488 XHYNILXCFUOUFP-UHFFFAOYSA-N 408.553 1.849 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OCC 1468124025 ALFWEYRIBVXJQS-AWEZNQCLSA-N 415.537 1.380 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)C2=O)cc1 1470032521 IVWJQEFPABQSKW-ZCNNSNEGSA-N 412.490 1.496 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCC3(O)CCC3)CC2)cc1 1470557949 DWMSATBHOHAQKN-UHFFFAOYSA-N 406.508 1.269 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1470643690 JPERNTNWMJDVFQ-AWEZNQCLSA-N 401.529 1.340 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1475667549 NIJWWYACJZOPGH-INIZCTEOSA-N 417.531 1.326 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N1CCCCC1 1492900697 ABHCZCHMTCMAIN-UHFFFAOYSA-N 408.510 1.582 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)COCCO1 1496840492 NFMDGJWWWFVWAL-OALUTQOASA-N 408.478 1.444 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1503725450 MERZNWICZRXMKQ-FGZHOGPDSA-N 421.505 1.257 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1507517120 ORVMWFUXJJJRGH-QWHCGFSZSA-N 406.512 1.261 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1507531490 ASAOMINEABLMBZ-UONOGXRCSA-N 419.507 1.289 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC[C@@H](C)C1 1507617593 WPUWDKWNLRZXJV-MSOLQXFVSA-N 407.584 1.762 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1507635716 UQVZMHCSILALQT-OAHLLOKOSA-N 406.533 1.082 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507639414 YAIWYNWBTMFSNF-QZTJIDSGSA-N 423.583 1.487 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)OC 1507701246 ASYXJPXTOCHOBS-RDJZCZTQSA-N 420.510 1.994 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CCS(=O)(=O)NC(C)C 1507701277 CETVWGWLTULYLT-UHFFFAOYSA-N 407.515 1.947 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1507723411 HMSGXHFNADLZPG-APWZRJJASA-N 408.506 1.086 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2C[C@H]2CCC)CC1 1507734317 UWFFMFKFPPPEPN-IAGOWNOFSA-N 400.527 1.743 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1507844594 MBHUBWIQEBRNKX-DLBZAZTESA-N 412.556 1.636 30 10 HDEE COC(=O)C[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1527791804 BSKHJXUHFBGRIZ-HIFRSBDPSA-N 405.838 1.355 30 10 HDEE CC(C)C[C@H](C#N)NC(=O)c1ccc(I)cc1-n1cnnn1 1528058322 HWQDFSDWMOKHOX-LLVKDONJSA-N 410.219 1.935 30 10 HDEE C=CCOCC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1529267988 XNCLIUTXQBCYHS-CVEARBPZSA-N 409.483 1.620 30 10 HDEE CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(C#N)ccn1 1529300196 FUAVHBXESKNURX-MRXNPFEDSA-N 415.431 1.678 30 10 HDEE COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 1532536950 OLLCCAFJDCKHDO-PRHODGIISA-N 412.269 1.907 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1535447054 SPXRJSZIXBVLKC-WFASDCNBSA-N 402.252 1.917 30 10 HDEE Cc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCOCC2)cc1C 1538765665 MYWLPCLBFRFBOZ-AZUAARDMSA-N 402.516 1.748 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1538973731 PSXWDEHLPJOPLO-CABCVRRESA-N 404.540 1.719 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1539145062 CKSLUFYCHIXITB-LJQANCHMSA-N 410.522 1.101 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1Cc1ncn(C)n1 1539176937 WJCWYPZVXQTNLC-UHFFFAOYSA-N 414.514 1.639 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1539220780 LMIAIHJXVKYXHZ-HUUCEWRRSA-N 405.524 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2CCOCC2)CC1 1539484661 YCSDDBZZICBUFA-UHFFFAOYSA-N 422.533 1.656 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1539729877 MDCKXGTYMGFSIQ-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1539759696 KPXRAUFDVCBTAY-OXQOHEQNSA-N 408.499 1.522 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1540047541 JUFCZKYOMQWDDD-OAHLLOKOSA-N 420.539 1.169 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540855062 WWGCWWCQMCLQTO-GJZGRUSLSA-N 404.448 1.649 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1540876337 OBWBPRZVWOVAFO-SFTDATJTSA-N 416.526 1.751 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1540900086 KPJKMBVDTKEYAE-UHFFFAOYSA-N 417.535 1.508 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540902042 YNBBYYFFXOSTHO-MRXNPFEDSA-N 406.512 1.068 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1540903486 FIUZPKLWFHMHQN-HOTGVXAUSA-N 409.556 1.325 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1544630618 OMYZIZFYJOZTOV-UHFFFAOYSA-N 418.251 1.949 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1544784976 VIIQJCUFICMURL-QRVBRYPASA-N 406.504 1.892 30 10 HDEE C=CCNC(=O)CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1546179329 HMOOWSPVKYDBDD-INIZCTEOSA-N 419.478 1.432 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1546587335 IBTPZEYYZZZSNU-KRWDZBQOSA-N 412.494 1.605 30 10 HDEE COc1cc(CCC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc(OC)c1O 1556216894 IETXRDFLENWKQU-UHFFFAOYSA-N 413.478 1.604 30 10 HDEE C#CCC1(O)CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1558102866 NSWNEMMPSYDQAL-KRWDZBQOSA-N 409.527 1.419 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CON(C(=O)OC(C)(C)C)C3)CC2)o1 1558657284 LNQGDDKDVBWXES-CQSZACIVSA-N 405.455 1.738 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)n2Cc1ccc(C#N)cc1[N+](=O)[O-] 1559367306 FVRLCQPCOCHADS-UHFFFAOYSA-N 402.388 1.673 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(Cc2ccc(C#N)cc2Br)CC1 1559862950 IBNMGUXSGVUHNT-UHFFFAOYSA-N 406.327 1.564 30 10 HDEE C=CCN(C(=O)Nc1cnn(C)c1I)[C@@H]1CCS(=O)(=O)C1 1563298032 HNTCPXSVCGARPC-SECBINFHSA-N 424.264 1.232 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN([C@@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1565156948 VHAVUPUAVHYBCM-ZWKOTPCHSA-N 407.898 1.920 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(=O)cc[nH]c2c1 1568299028 DJYWEHWELHHKJN-ZDUSSCGKSA-N 410.455 1.383 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Cn2cnc(C#N)n2)C1 1583209437 ICUFIHKSAOZAEK-OWCLPIDISA-N 418.498 1.603 30 10 HDEE COC(=O)CCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)[C@@H](C)C1 1583697185 QPZBBFPQJMRIIU-ZDUSSCGKSA-N 408.296 1.959 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1584868267 FYJQSYFDGIVRGK-BBRMVZONSA-N 408.476 1.293 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)C1CCN(C)CC1 1585116044 XZLHVBFTBKZZQF-IBGZPJMESA-N 417.575 1.952 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CN(C)CCN1C 1586538339 GAEBGWQVQLKGHS-ACJLOTCBSA-N 420.355 1.507 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccccc1F)C(=O)OCC 1587285453 FMBCQVHTWDSZJJ-CYBMUJFWSA-N 406.863 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1587549704 BOSANFGETYRMNL-MSOLQXFVSA-N 403.575 1.148 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1587798580 MDCIPVZIRVEMIA-RTBURBONSA-N 414.554 1.676 30 10 HDEE C#CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893587 FZQUYWFEMPJOBM-PXNSSMCTSA-N 424.567 1.746 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1588159058 OZXOZXWTFURFLK-UHFFFAOYSA-N 418.501 1.223 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1588228704 KGTNRUGDVTULGE-IAGOWNOFSA-N 404.536 1.458 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1589060766 YIBVQECBNMWDGR-QGZVFWFLSA-N 403.552 1.740 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1595545008 PKAGOSJQDLAJTM-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1595701019 WADINBKDCCPXQI-UGKGYDQZSA-N 408.506 1.665 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1597704810 GEWIZMSATGPXJL-KRWDZBQOSA-N 402.458 1.533 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1603683042 MEEQAZDQOZHQQI-SFHVURJKSA-N 401.559 1.815 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CN(C(=O)OC(C)(C)C)C1 1607289090 TVBZDKSNQYBXOC-OKILXGFUSA-N 410.467 1.220 30 10 HDEE CN1CCN(C(C)(C)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1615838156 MCDCQXJOXKCDPO-UHFFFAOYSA-N 406.571 1.779 30 10 HDEE Cc1c(C(=O)N2CCO[C@@](C)(C#N)C2)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1617894531 FABOGWOIIWDZMK-FQEVSTJZSA-N 418.498 1.913 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1619912211 VLBNNLXUXUBTNO-OAQYLSRUSA-N 409.494 1.717 30 10 HDEE C[C@]1(C#N)CCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1620441570 SFHISWSAIRJOFN-OAQYLSRUSA-N 416.547 1.986 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(CCN1CCOCC1)[C@@H]1CCSC1 1622335968 BICXDTDDTCFEIF-MRXNPFEDSA-N 411.549 1.395 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 1624730031 LCHSQALQSDTYDO-ZIAGYGMSSA-N 409.508 1.630 30 10 HDEE C=CC[C@@H](CO)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1626437008 CGEIKPNTAUHWKH-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1629655817 ZXTBHQYCSLSFHQ-SFHVURJKSA-N 424.310 1.563 30 10 HDEE COc1ccc(-c2n[nH]c(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)n2)cc1 1632037768 AWAFHDIQQXEWTJ-UHFFFAOYSA-N 418.461 1.779 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1634016496 YMTNFBYKWSDJTE-ZWKOTPCHSA-N 406.571 1.380 30 10 HDEE C#CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CCN(C)CC1 1635683250 HWFDSGAXYOKKPC-IBGZPJMESA-N 422.570 1.598 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC[S@](=O)CC(F)(F)F)C2)nc1 1636859588 WJEODUNPHOEMGG-CEXHIMGSSA-N 403.430 1.850 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 1638392907 QWTFRFZIQSBYFL-INIZCTEOSA-N 424.954 1.454 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(F)(F)C[C@@H]3C(=O)OC)ccc2c1=O 1641473392 KIAZFGCCIOBLGX-CYBMUJFWSA-N 409.414 1.894 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(CO)c(CO)c1 1642412977 QEYNKXNINBBRRL-UHFFFAOYSA-N 403.460 1.129 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4cc(C#N)cnn4)C3)[C@@H]2C1 1643095575 RSBWTNFSACDUHW-KFWWJZLASA-N 400.439 1.367 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)C1 1644214741 FGRBYCPJUQKIIW-IBGZPJMESA-N 423.391 1.567 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC[C@H](C(F)(F)F)O1 1644822088 XUKRWPZHSQADSO-LALPHHSUSA-N 419.425 1.793 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 1644948323 OUZQOURWWQMCBI-UHFFFAOYSA-N 401.488 1.586 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN1C1CCCCC1 1645537518 YDMFBISPGJISQZ-MRXNPFEDSA-N 404.536 1.638 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(OC)cc3)C2)cc1 1648130717 YWNXZZFDKVHKCW-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 1650848653 CPYFICAHLORZGT-UHFFFAOYSA-N 415.899 1.919 30 10 HDEE O=C(CC1CCCCC1)NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1651221155 PUZMQYVFRYQUAH-UHFFFAOYSA-N 401.463 1.977 30 10 HDEE CN(CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(=O)c1cccs1 1651221162 PWFBPUPNGOAMQK-UHFFFAOYSA-N 401.444 1.724 30 10 HDEE Cc1ccc(N(C(=O)Cn2cc([N+](=O)[O-])c(C#N)n2)[C@@H]2C=CS(=O)(=O)C2)cc1C 1652117590 KWEYACQQVXPSHA-OAHLLOKOSA-N 415.431 1.624 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccccc1C#N 1652921645 FKVWZUJTETYYAJ-NRFANRHFSA-N 424.501 1.705 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)C1CCOCC1 1659670777 JIJNTXZMGDFLAU-OAQYLSRUSA-N 412.534 1.943 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1665530035 BCFSLODDQYJBFI-GFCCVEGCSA-N 422.326 1.152 30 10 HDEE C=CCc1cc(CNC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)cc(OC)c1OC 1667711330 PZPFQAKMGBFNMW-INIZCTEOSA-N 412.508 1.387 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1 1669673385 QXRZJVBXSDZMNP-WBVHZDCISA-N 404.492 1.535 30 10 HDEE C=CCN(C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 1672775311 MUSDLNUYLHXQOR-CQSZACIVSA-N 401.510 1.144 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN(c3nncn3C)CC2)cc1 1673819373 BHGCQPJMVGVVSC-UHFFFAOYSA-N 409.494 1.983 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 1683452237 MDFVOCXVUDHRSM-ZDUSSCGKSA-N 400.460 1.744 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683704247 WOTYKSXAAIGMNB-UHFFFAOYSA-N 419.551 1.246 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1689973615 JIKFQLFITQALBT-UHFFFAOYSA-N 405.524 1.435 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1689989471 FVBZPSQKUFRJGG-MSOLQXFVSA-N 424.567 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCOCC(F)F 1690015619 SJJYUBIQJIPNJE-UHFFFAOYSA-N 405.405 1.750 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](OC)C(C)(C)C)CC1 1690131423 ZILFWLPNTPMLLK-KRWDZBQOSA-N 402.543 1.217 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H]1C(=C)C 1690189912 GEKFUFCKSZJCPB-PFRQMTDMSA-N 421.567 1.862 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1690596926 DVQXJXVRFNFWQF-OAHLLOKOSA-N 409.512 1.201 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C)C1 1690714413 MGHJRPVBOXPTDZ-AWEZNQCLSA-N 413.544 1.022 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1690721145 YURQTLAYOUNPGP-HUUCEWRRSA-N 419.463 1.055 30 10 HDEE C=CCOCCN1CC[C@@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1692310104 OAYNMIFYSXGNPO-BTOHRNCKSA-N 404.551 1.942 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccco1 1692537176 RPGHXLBZBGFQDY-UHFFFAOYSA-N 420.477 1.651 30 10 HDEE CCCN(CC)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1695304100 ANWQFRLUXIKBGU-HNENSFHCSA-N 415.498 1.163 30 10 HDEE CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1696423706 RAGFHDHZQCLFDK-CQSZACIVSA-N 406.512 1.433 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1696675863 AQYVUMDXFVDNSD-HYDGNGQDSA-N 412.519 1.648 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1696838643 DEBIBXIDNHRIRN-UHFFFAOYSA-N 413.450 1.579 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1705537597 KYKYWMYYJHIOBC-INIZCTEOSA-N 409.498 1.381 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(Cn2cccn2)cc1 1705540017 KOQLPCLDDDYKRQ-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705548584 MIJNHGVMBXPEFR-CQSZACIVSA-N 407.927 1.949 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCN2CCCC2)cc1 1705553820 ZKDIFMOXBGINRL-HXUWFJFHSA-N 422.533 1.822 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1705557716 ZMDGDQVETFGNAU-UHFFFAOYSA-N 407.478 1.122 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705558869 KKPZXDVCRSVDNL-SJORKVTESA-N 419.551 1.399 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)c1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705570521 OBFFNPHXJCBKHA-XJKSGUPXSA-N 405.524 1.876 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1705574297 AARQVWVMFBRAJL-LEWJYISDSA-N 417.579 1.440 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCO[C@H]1CCOC1 1705578278 MNZGKWOASUYSEQ-SFHVURJKSA-N 408.458 1.942 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(F)(F)CO1 1705580971 QIHNHQBWTIZKEO-ZDUSSCGKSA-N 403.389 1.503 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1705617275 PIAQDZPTQXLCBA-UHFFFAOYSA-N 419.533 1.958 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(F)(F)F)n1 1705621389 ZGSJKCYFJCGZLR-UHFFFAOYSA-N 424.427 1.964 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC2(OCCOC)CCOCC2)CC1 1705638324 GTLWHQRBCIQJLO-UHFFFAOYSA-N 403.527 1.123 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(C(=O)COC)CC1 1705699847 MFMBEOKIIVEVCU-PKOBYXMFSA-N 403.527 1.822 30 10 HDEE C=CCN(CCOC)c1nnc(CC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705885362 PAXWLVOKACGWHI-IRXDYDNUSA-N 411.572 1.684 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1OC 1705894142 MFHMJFVRBYOCIP-UHFFFAOYSA-N 412.494 1.461 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(C(N)=O)CC1 1705909349 UPMKVHZHLCAAHS-NVXWUHKLSA-N 418.542 1.201 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1706708786 HIWHTYUNEXWHRY-QFIPXVFZSA-N 424.505 1.870 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)COCCO1 1706960327 XFXDHOVLVNRSRS-JOCHJYFZSA-N 424.505 1.714 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CCO1 1708181109 JTANAPQIHAUORZ-HNNXBMFYSA-N 406.446 1.951 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708623784 VSPBGKVOPCGKSY-ZDUSSCGKSA-N 409.494 1.995 30 10 HDEE CCCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1709759406 ZIESCLXAWJAMHN-FQEVSTJZSA-N 405.522 1.980 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1709843108 RJVAZQGFGBBALH-AEFFLSMTSA-N 421.505 1.305 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CC=CCC1 1722380343 JWKRLNXCFJVETA-UHFFFAOYSA-N 413.485 1.929 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCS(C)(=O)=O 1722390066 OWUUUUIKUIEWDS-UHFFFAOYSA-N 415.475 1.751 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCOC1 1722401407 WRBDRYUDYYNKNW-HSZRJFAPSA-N 403.486 1.895 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)(F)F)CC1 1722431393 JVSFTBJESZMBQR-UHFFFAOYSA-N 403.437 1.726 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1722499456 JDKSZMFPHOWSLH-SFHVURJKSA-N 404.559 1.885 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOCC1 1722505536 KJTOWRGGROIYLD-HKUYNNGSSA-N 413.526 1.485 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(C)nc3ccccc23)n1CCS(C)(=O)=O 1740632446 JNZTWEVVHNOQSY-UHFFFAOYSA-N 407.499 1.919 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1740638493 JUXXOILJSUOXTA-HZPDHXFCSA-N 414.510 1.463 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCS(C)(=O)=O 1740650967 UZVNBIOPZXBMNC-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)NCC)c1 1740653021 WNDSGMYZSTXKSO-UHFFFAOYSA-N 413.485 1.996 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)C(C)C)CC1 1740714558 BZBKGZJBWKUWML-UHFFFAOYSA-N 400.552 1.955 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1740874073 MKFZYFYZIMIYBL-MSOLQXFVSA-N 402.543 1.744 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)C1CCC1 1740958679 FKMWZLWPIDKLGT-UHFFFAOYSA-N 421.505 1.966 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740995131 ARGGIKKGUJINJX-AWEZNQCLSA-N 415.523 1.512 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1748671504 JVQZXTFIQVVNKP-SQGPQFPESA-N 411.506 1.969 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(OCC)CCCC1)[C@H]1CCS(=O)(=O)C1 1748823761 BHNUHPJZRLGVHM-KRWDZBQOSA-N 424.567 1.791 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CN(C)C1=O 1748895341 WKGFLPGESHMIPA-HSZRJFAPSA-N 405.502 1.819 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1 1748960780 NXJAHQNQDLRNBA-UHFFFAOYSA-N 424.461 1.544 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C)CCCC2)CC1 1748972232 DCTKFGUBNQFSMK-INIZCTEOSA-N 408.572 1.224 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C2CC2)N(C)C)CC1 1748978535 LYUJBOZNVKNGLE-KNQAVFIVSA-N 416.570 1.026 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC)C1 1749021901 CBCSNGOJDBVTOC-HUUCEWRRSA-N 415.585 1.260 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC=C 1749060153 JZPDNSKIFUZJNK-OAQYLSRUSA-N 417.477 1.215 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749284614 LZSRIJBZJNFOOU-OAHLLOKOSA-N 417.901 1.703 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CC)C1 1749693657 LIRRJJDMJXEABJ-FOIQADDNSA-N 400.483 1.868 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)C2CC2)C1 1749717892 QHKMBCDVLZBINH-FUHWJXTLSA-N 402.543 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](COC)C1 1749726813 FVTXYEVEFNUCEJ-KRWDZBQOSA-N 415.519 1.890 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1750060066 DAJAPZFTMDKAGV-KGLIPLIRSA-N 406.512 1.025 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1751262475 FOCJUUVOUFPJNC-UONOGXRCSA-N 424.502 1.845 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1760233831 PBVDUOPEBYSQDH-JKSUJKDBSA-N 402.524 1.099 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)CC=C)CC1 1760265131 OQVYSGDMMXSSSQ-UHFFFAOYSA-N 421.567 1.142 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1 1760289096 MDWMGNUMKLCGEE-SJKOYZFVSA-N 423.568 1.283 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1760432914 OJECJTBCLNTSRS-CQSZACIVSA-N 412.560 1.302 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1)C1CC1 1760471351 SXGPPMKICDUWDP-LSDHHAIUSA-N 419.555 1.502 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1761237897 DNXOSEWGLHEWEU-AWEZNQCLSA-N 421.502 1.060 30 10 HDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1768881212 UHIPZWGEHNGLTH-KRWDZBQOSA-N 417.535 1.850 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(OC)CCC2)CCO1 1769241034 HFRMCFTVEPZDPQ-GOSISDBHSA-N 424.505 1.727 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1771049202 VDCCQPFGJRVWDL-UHFFFAOYSA-N 420.477 1.440 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1771273497 SKWFPJDMJALFCN-UHFFFAOYSA-N 420.464 1.867 30 10 HDEE CSc1cc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)ccn1 1771418937 AQDGMXUAMGJSBH-OAHLLOKOSA-N 413.507 1.408 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1N(CCCN1CCOCC1)C(=O)C1CCOCC1 1848716781 BSZNXLHYNYDTBF-UHFFFAOYSA-N 402.451 1.948 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CCS(=O)(=O)C1 1848757112 OXUXGAIRFQOKEY-OALUTQOASA-N 423.531 1.473 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N2CC3(COC3)C2)cc1 1851579082 CBAGFNQDJCQQOP-LJQANCHMSA-N 411.483 1.307 30 10 HDEE Cn1nc(C(F)(F)F)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851848070 VDQIGZHJJRPOPT-UHFFFAOYSA-N 408.384 1.685 30 10 HDEE CCCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1nc(C)c(C(C)=O)cc1C#N 1852595795 LNWBKHKVFBFSKG-HNNXBMFYSA-N 406.508 1.879 30 10 HDEE N#Cc1ccccc1OCC(=O)O[C@@H]1C[C@@H]2C(=O)N(Cc3ccccc3)CC(=O)N2C1 1852665387 MGAOEIFDYUKWHG-RTBURBONSA-N 419.437 1.492 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)NCCS(=O)(=O)N3CCc4ccccc4C3)cnc21 1853223684 BKKUJRBIIIHGSE-UHFFFAOYSA-N 423.498 1.563 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(OC(C)C)nc2)C1=O 1854166604 IDJVASHASBFUCM-IRXDYDNUSA-N 400.479 1.329 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)c3cnc4ccccn4c3=O)C1=O)CC2 1855036023 VWJDZQQKWNZPNP-DOTOQJQBSA-N 405.458 1.451 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCCN(C(=O)[C@@H]4COCCO4)C3=O)CC2)cc1 1855157312 JBRUONPKYCOLRA-PMACEKPBSA-N 413.474 1.334 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3cncc(F)c3)C2=O)CC1 1855985678 YVTMJHSTBFJYNE-GOSISDBHSA-N 408.437 1.441 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H](C(=O)N(C)C)c3ccccc3)CC2=O)cc1C#N 1856032890 RUCNWLJIFNHYBG-NRFANRHFSA-N 404.470 1.981 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@@H]4CCCOC4)C(=O)C3)C2)s1 1856326196 DCMIRUYODYPVJA-HZPDHXFCSA-N 402.520 1.291 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)c1 1856330417 QWLIQGPHYILXKH-QGZVFWFLSA-N 415.515 1.448 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C(=O)C1(C)C 1856389750 DCPSBHUWZURQNY-OAHLLOKOSA-N 413.474 1.446 30 10 HDEE Cc1ncccc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856436033 FXFOWKFYFAAYAO-INIZCTEOSA-N 409.515 1.882 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCN(CCCC#N)C3(CCCCC3)C2=O)CC1 1856527101 GUCWZBSLGHSVDP-UHFFFAOYSA-N 424.567 1.335 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN([C@H]4CCCCC4=O)C3)CC2=O)cc1C#N 1856581198 QISCJNCSTJHISE-UXHICEINSA-N 408.502 1.737 30 10 HDEE Cn1nccc1CCN1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCCC2 1856689102 IYABDYLXUREXBO-UHFFFAOYSA-N 406.490 1.917 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)C1 1856847915 BNQBRVHDZQVLLP-QUCCMNQESA-N 410.518 1.361 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C)cc3C)C2)CC1=O 1856902066 ICGDUAKOCOUDAS-HZPDHXFCSA-N 408.476 1.186 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1CCOC1 1857017803 AOZJFOSLQKWABV-GOEBONIOSA-N 404.488 1.868 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3ocnc3c2)C1)[C@H]1CCN(C)C1=O 1857057684 YFVISZBNDTXGTB-QAPCUYQASA-N 410.474 1.925 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1872923173 BDULGHPIXUBHFY-GOSISDBHSA-N 401.482 1.758 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1ccc2c(c1)OCCO2 1874499495 RWFSQMHMWLFLKP-KEBDBYFISA-N 405.480 1.696 30 10 HDEE O=C(N[C@H](CS(=O)(=O)CC#CBr)C(=O)O)OCc1ccccc1 1883383026 DQPIOAQUHMOLNV-GFCCVEGCSA-N 404.238 1.137 30 10 HDEE C#CC(=O)Nc1c(I)nc(C)nc1I 1885128177 XYZRWDCXNNZUNP-UHFFFAOYSA-N 412.956 1.566 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@H]2CN(c3ccc(F)cc3)C(=O)O2)cs1 1890313169 YSVMJNJYCOCSQH-ZDUSSCGKSA-N 404.423 1.953 30 10 HDEE CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010395570 JOIXTIRSENAHDJ-INIZCTEOSA-N 420.315 1.834 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(c2cc(Br)cnc2C#N)C1 2054341236 LRMUFAQKXZTBMM-UHFFFAOYSA-N 410.272 1.627 30 10 HDEE Cn1ncc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2074367143 JNXCHVUSHPDBDB-AAEUAGOBSA-N 413.320 1.627 30 10 HDEE N#Cc1ncc(Br)cc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118091683 GLBVYDQYOKWKHR-VXNVDRBHSA-N 420.189 1.074 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)c1cccnc1C#N)NC(=O)OC(C)(C)C 2118165686 DPMIJVJOAISQJR-FTJNGKRUSA-N 402.498 1.653 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@H](CNC(=O)OC(C)(C)C)C1 2174785520 ZWJIAJKNMCIDCA-SOUVJXGZSA-N 402.517 1.081 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 2174789105 MNPFDRBDNLQFMQ-OAHLLOKOSA-N 402.561 1.691 30 10 HDEE C#CCN(C(=O)CC[C@H](C)CCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180116311 XWPCGZDCSCOCTB-JKSUJKDBSA-N 400.541 1.966 30 10 HDEE NC(=NO)c1ccc([C@H](O)CNC[C@H]2CC2(Br)Br)cc1 2233038444 GVZMNECUGVRAPS-GHMZBOCLSA-N 407.106 1.910 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241480841 ONIHZZUTLIFFLQ-QWHCGFSZSA-N 402.322 1.759 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2243398334 PEPVIFLSSWGFCB-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243587090 AVFKHKJWGVWRFN-HJWRWDBZSA-N 406.292 1.520 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247910976 RCHMSBOGZQLVNW-UONOGXRCSA-N 422.287 1.601 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247935076 IOTUQBFGQZUPHN-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248402834 BGWHMLOYOLVMDV-WFASDCNBSA-N 421.303 1.593 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366373 FMUNJNQYCFULOM-VKTRGTBVSA-N 408.376 1.181 30 10 HDEE C[C@H]1CSC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267466642 DUEZOGPUZDQJRP-QWRGUYRKSA-N 404.388 1.613 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cncc(C#N)c2)C(F)(F)C1 2279125854 DTSOEHZFDLXOND-CYBMUJFWSA-N 402.423 1.876 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[S@@](=O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282315622 QFWRHNRAJIRSKI-RUZDIDTESA-N 419.399 1.499 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC[C@@H]1C 2282316565 FCECZRMVQZPTBV-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CCCCN3)s2)OC1(C)C 2282348799 POHPYQSAFQUHCK-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE CSCC[C@@H](O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495935 TWGZCKWZDRDPHH-LBPRGKRZSA-N 421.415 1.830 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CO1 2282501032 REYXWUQJNUTZNC-CHWSQXEVSA-N 401.359 1.986 30 10 HDEE C[C@@H](CO)CC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848753 RHCPMGKBDHPYTF-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE CN([C@H](CCO)C(F)F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282851184 YRWYENQEMHNFPA-LLVKDONJSA-N 411.301 1.684 30 10 HDEE CN1CCCC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282851825 HOHWLHDTASXLPC-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282868325 LVQXNJOKDLIGQC-SHZVTRLKSA-N 401.359 1.421 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCONC3)ccc2Cl)OC1(C)C 2282871675 KNJGZIFWVVUVQQ-NSHDSACASA-N 402.709 1.211 30 10 HDEE CO[C@@H](C)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284389698 OOKVRGOVLWGULC-KWQFWETISA-N 403.693 1.919 30 10 HDEE CCN([C@@H](C)C(=O)O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284413739 NCABVFFBCGXFDO-NSHDSACASA-N 403.331 1.839 30 10 HDEE C=CC[C@]1(CO)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2287755061 NVWBEXSVAKMONO-KDOFPFPSSA-N 404.529 1.102 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)n1C 2300226928 QOBHRTJBVHFNNT-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CSCCN1C(=O)OC(C)(C)C 2342042344 FGEOLQSFYBDKJE-CABCVRRESA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C1 2365205169 SEWPAPXMUQDYSN-LIRRHRJNSA-N 402.557 1.538 30 10 HDEE COC[C@@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365205687 VOYLEUPGBHJANM-HNAYVOBHSA-N 402.557 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C(F)(F)C1 2365208013 BQMZRRXGUYUEAW-LRDDRELGSA-N 410.483 1.148 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365209785 HTKTYOFJTQYZJX-AUUYWEPGSA-N 401.525 1.828 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365255094 VCQYRZQBBKOYFV-GOSISDBHSA-N 405.513 1.976 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367805263 ZSFZDFAPAMTSHX-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367809830 QWPYIZXHCJTOLB-OAGGEKHMSA-N 400.541 1.163 30 10 HDEE CO[C@H](C#C[C@@H](N)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369627512 AFJJWDSABMQCFD-IXDOHACOSA-N 402.557 1.850 30 10 HDEE C[C@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 8531310 AHXPDQIKWFQJNT-QGZVFWFLSA-N 404.536 1.656 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc3c(cc21)OCO3 13792055 VWOINYPUQCQQRI-AKDSAVJFSA-N 421.500 1.164 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NC(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59040072 WKSIDJGGUAFKOP-OMCISZLKSA-N 409.428 1.490 30 10 HDEE Cc1ccc(/C=C\S(=O)(=O)NCC(=O)OCC(=O)N[C@@](C)(C#N)C2CC2)cc1 97654879 LKNBCZFZEHLIGE-VJIACCKLSA-N 405.476 1.237 30 10 HDEE COCCN/C(=N/N)Nc1ccc(I)cc1Br 305965786 JSAVRUXPRUQKDE-UHFFFAOYSA-N 413.057 1.931 30 10 HDEE C#CCN(C(=O)c1cc([N+](=O)[O-])ccc1Br)[C@H]1CCS(=O)(=O)C1 320717926 IDFWKNXOFDZKIT-NSHDSACASA-N 401.238 1.620 30 10 HDEE C=CC[C@@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 410065239 KUKDAXJAFHBPEV-WFASDCNBSA-N 411.296 1.970 30 10 HDEE CNC(=O)C[C@@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccccc1 431091172 PKGJJIWPROVVDS-DOTOQJQBSA-N 407.478 1.446 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)Nc3ccn(CCN4CCOCC4)n3)CC2)cc1 432159149 QUTUDYNIMDNSJQ-UHFFFAOYSA-N 424.505 2.162 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccccc1C 440387139 ZYYPPMHNRYJRFO-UHFFFAOYSA-N 416.462 1.477 30 10 HDEE CCc1nc(C(C)(C)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)no1 441257827 BOMWACMPGRXZSL-CQSZACIVSA-N 402.524 1.927 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 443330615 KJEXIZBMOMFTNS-UHFFFAOYSA-N 406.382 1.656 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 460266117 BVYXDGUOLHVXKN-UHFFFAOYSA-N 415.471 1.388 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 461161551 SADLTPMGULFFAS-CVEARBPZSA-N 413.544 1.192 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 467051410 ONPYJCXQOJZBIB-SDNTUTLCSA-N 405.476 1.025 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CSc1n[nH]c(O)n1)CCCC2 484556702 NEXFXHNMBVEGCL-NSHDSACASA-N 402.480 1.972 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1C#N 489294081 RCGACKWHBMNSSX-CRAIPNDOSA-N 419.551 1.263 30 10 HDEE COc1ccccc1OCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C 507957416 VNTBNHKWFACDOX-UHFFFAOYSA-N 405.462 1.996 30 10 HDEE Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 507981527 MXSOHNVISQKPKI-KRWDZBQOSA-N 410.478 1.341 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H]2c3ccccc3C[C@@H]2O)n1 513314453 BAJOUXXBUJPDQE-HKUYNNGSSA-N 405.389 1.596 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1CCN(c2ccccc2)C1=O 515097022 BLAUQUPRJKZOGM-SFHVURJKSA-N 412.471 1.100 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545493419 XSYCCMTVHUNGMG-UHFFFAOYSA-N 413.503 1.143 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)CC2)n1 546199652 JVVHQHABIJEULJ-UHFFFAOYSA-N 418.457 1.367 30 10 HDEE Cc1cc(C(=O)NCCn2cnc(C#N)n2)nn1-c1ccc(Br)cc1 553189648 CFVGUFFONAQKNT-UHFFFAOYSA-N 400.240 1.836 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 568568367 RLWLDGPPDPDUTR-UHFFFAOYSA-N 406.468 1.511 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCCN(S(=O)(=O)N(C)C)CC3)c2c1 577432912 LAMHPJXAYBGSIN-UHFFFAOYSA-N 419.507 1.442 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 582756465 SDSPEZMPLTYHBL-KUHUBIRLSA-N 417.462 1.964 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 583099921 CNMOULHQCSSOPT-FUHWJXTLSA-N 424.480 1.565 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@H](n4ccnc4)C3)C2=O)cc1 588865637 BXXLSXMHZGDEFB-RBUKOAKNSA-N 420.473 1.230 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1-c1ccccc1C 590943625 KVFCVFQLWLVWFW-UHFFFAOYSA-N 422.535 1.778 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccccc1C 603923488 UOSMXSPTVJKNBJ-UHFFFAOYSA-N 405.479 1.465 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)C1 610765343 ATGDJQYNEMHBKO-INIZCTEOSA-N 422.445 1.604 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916249 XVOBNWIWWKAFIU-UHFFFAOYSA-N 416.506 1.918 30 10 HDEE CN(C)CCn1cc(NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)cn1 676099655 KTCUIORXCKWBPA-UHFFFAOYSA-N 402.458 1.817 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCCCC)sc(=Cc3ccoc3)c2=O)c1 727417919 SRBAHBASUGMYMZ-UHFFFAOYSA-N 417.490 1.893 30 10 HDEE C[C@H](c1ccccc1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O 727418580 TVWJIRYEDBXOET-CQSZACIVSA-N 405.479 1.894 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1[N+](=O)[O-] 730253799 WDNQBAFTPAZEKX-CQSZACIVSA-N 412.427 1.032 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(Br)s1 731851094 GXWQGUSLOIYCLB-QXMHVHEDSA-N 406.283 1.315 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](C(=O)N3CCCC3)C2)C1=O 732191572 RNVIEALXMAKIFJ-JTSKRJEESA-N 409.490 1.617 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CCN1C1CC1 732650567 XKPADDWPGKPODF-INIZCTEOSA-N 404.426 1.888 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732675370 UBBCWXPXWWKSHH-IBGZPJMESA-N 419.551 1.396 30 10 HDEE CCC(C)(C)NC(=O)COC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733831043 OBGAQGHLKQFMMG-OAHLLOKOSA-N 400.435 1.611 30 10 HDEE Cn1ccnc1[C@@](O)(CCNC(=O)NCCOc1ccc(C#N)cc1)C(F)(F)F 743560515 TUGGPJVAXCVWBC-KRWDZBQOSA-N 411.384 1.810 30 10 HDEE CN(C)CCN(Cc1ccc(F)cc1F)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746173076 FLONTHLAZJMDFC-VXPUYCOJSA-N 406.433 1.772 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2scnc2C)c1=O 758069811 XYSRHYPSYDFICG-UHFFFAOYSA-N 421.503 1.703 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758640500 HXUSXILLXUSTKJ-MNOVXSKESA-N 403.892 1.419 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=NOCc3nnnn3C(C)(C)C)CC2)cc1 766059850 SZRQDPSWUUFJIZ-UHFFFAOYSA-N 422.511 1.794 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(C)(C)C)c1=O 769646098 BDIMFMXVGPGLPJ-UHFFFAOYSA-N 408.527 1.446 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C(=O)CCC2=O)c(C)c1)[C@@H]1CCS(=O)(=O)C1 774049717 VNBAMWRABFTQMH-OAHLLOKOSA-N 403.460 1.303 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 774233172 GTAYYJOEVWHDHD-ROUUACIJSA-N 403.504 1.322 30 10 HDEE C=C[C@@H](C)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 781580256 IFQFVYGJWVOXIC-OAHLLOKOSA-N 410.492 1.426 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)Cc2ccc(C#N)cc2F)CCO1 790873916 JIQTVOQDALOJBS-HNNXBMFYSA-N 413.471 1.753 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796426109 WEMBEMUBSLLTDA-YJBOKZPZSA-N 403.483 1.414 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 800787854 PELFZSRTRIUKTO-OWCLPIDISA-N 405.499 1.855 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 807229197 QOCTUEAZVNPZJR-SREVYHEPSA-N 422.507 1.312 30 10 HDEE N#Cc1cnn(C(=O)[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]45)[C@H]32)c1N 810202947 BEMIIAKFSJQOPQ-NMTFTXLRSA-N 413.437 1.457 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)CN1C(=O)NC(C)(C)C1=O 911942820 GPUORANFLGBZHR-CYBMUJFWSA-N 416.434 1.204 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)cc1 918388758 ZUJPTMYBLBNLDR-INIZCTEOSA-N 421.519 1.727 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1132192656 MOQWPGULPVZGSF-AAEUAGOBSA-N 420.940 1.778 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1CCN(c2ccc3nncn3n2)CC1)C(=O)OCC 1132418613 UCQPEWFSUCOBHH-CQSZACIVSA-N 406.874 1.531 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)c1ccccc1 1137371211 HXZMWVQJOJPCCV-QGZVFWFLSA-N 400.479 1.879 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)CC1 1140132809 PKBABAWIIYENLW-IAGOWNOFSA-N 408.543 1.210 30 10 HDEE C=CC[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1154006974 JMFZZSTZLRHUOQ-GJZGRUSLSA-N 411.499 1.374 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 1177040813 VFJDZSVIJASESL-MRXNPFEDSA-N 416.459 1.072 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1230168659 XDRVBDBAWDPHOZ-DOTOQJQBSA-N 406.527 1.851 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1286297012 ACTGXTXJMDNQKT-HDMKZQKVSA-N 402.520 1.740 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2ccco2)C1 1286342202 NTDVBGQBZFBRPG-GOEBONIOSA-N 407.496 1.473 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@H](O)C1 1286376903 MUTZXGMHMYMXFU-QFIPXVFZSA-N 416.529 1.948 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1286399262 CLNQKLXSPOZOEZ-AOCRQIFASA-N 421.567 1.556 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)CC1 1286478781 CJMZWQGGSSCDKE-UXHICEINSA-N 416.570 1.122 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286560881 JYJINUNILQWHAI-RYRKJORJSA-N 419.551 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286564982 ZVNNFGQVRYQVHD-VYDXJSESSA-N 418.523 1.340 30 10 HDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1286626666 FFMQCEUPKNQNAK-CYBMUJFWSA-N 411.853 1.673 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c(C)nn(C)c2C)CC1 1286664546 YMHUASHRBZHPTG-QGZVFWFLSA-N 418.567 1.981 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1286773040 HQRLHHWWIBPJIN-MRXNPFEDSA-N 420.514 1.346 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC(CC)(CC)C1 1286786212 OHMFDGFEOYAZGO-AWEZNQCLSA-N 406.556 1.643 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC(=O)N1 1287034493 WKLLDKXZKUIGIK-QGZVFWFLSA-N 422.537 1.739 30 10 HDEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CC1 1290257033 POFXQHBGYLMLME-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3nc(C)no3)C2)s1 1291890300 DVQQMEORTBESAP-CYBMUJFWSA-N 410.521 1.853 30 10 HDEE CCCN1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)C1 1294632228 GISIVDUFVIHWJW-FUHWJXTLSA-N 417.558 1.657 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H](C)C#N)CC1 1296130941 GQHNJVGTYHPTAR-RBUKOAKNSA-N 410.570 1.886 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1298135333 YLPJHNKIJVEGOY-QAPCUYQASA-N 415.519 1.867 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300482789 HBMXERRXIIZSIP-LSDHHAIUSA-N 419.473 1.097 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1n[nH]c(C)n1 1300606093 DWNCZWWIZJEWHD-UHFFFAOYSA-N 413.507 1.477 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1300630926 JTMWSJKVAOORFZ-SQNIBIBYSA-N 423.583 1.897 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)CCCO3)CC1 1300680974 IFIDZSHHYSZMHF-UHFFFAOYSA-N 422.533 1.545 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1301036305 BTZFWNHWSMZKEL-OAHLLOKOSA-N 419.917 1.909 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301186066 QPQRKKAAEFJSRU-ZWKOTPCHSA-N 402.543 1.744 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301195155 VEOGPENROBXJCF-FQEVSTJZSA-N 402.499 1.788 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2cc(C)cn2)C1 1301535290 KLCYAHMESYGZNS-QGZVFWFLSA-N 422.493 1.912 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ncnn1C(C)(C)C 1301809940 RRXRDUNDXCWXHY-MRXNPFEDSA-N 416.530 1.933 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1OC 1303899261 NAHBHQMHXVUIFJ-KRWDZBQOSA-N 423.473 1.803 30 10 HDEE Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)n1 1304489337 FKAHBHZLWVALDP-HIFRSBDPSA-N 405.528 1.430 30 10 HDEE COC(=O)C1(C#N)CCN(c2ccc(S(=O)(=O)C(F)F)cc2[N+](=O)[O-])CC1 1307116412 IBDSXRRYAMYKJT-UHFFFAOYSA-N 403.363 1.874 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)C1=O 1309446288 XQFALIYPFPUJEG-LBPRGKRZSA-N 404.847 1.673 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)[C@H]1CCOC1 1314683556 ONYLPDANXRQXGO-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCOC1 1316101523 LXMPBWDVVLAFRR-HNNXBMFYSA-N 416.482 1.799 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CC(F)(F)CO2)c1 1316529706 CEMXATVSWCSDMK-OAHLLOKOSA-N 423.445 1.476 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCOc2ncccc2F)CCO1 1316538155 HSRBUPMBYNFNCE-HUUCEWRRSA-N 402.430 1.514 30 10 HDEE C=CCO[C@@H]1CCN(Cn2c(=O)c3c(C)c(CCC(=O)OC)c(C)nc3n2C)C1 1325205612 CPIQKCBQRAHBLH-MRXNPFEDSA-N 402.495 1.692 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 1342321504 XLNNFYRPYZZWIF-MRXNPFEDSA-N 403.504 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(N(C)C)nc1 1358941488 LZDCYGHWAMAQCD-UHFFFAOYSA-N 424.530 1.927 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358962508 QUAHBWKXXHEZQI-SJLPKXTDSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1ccnc1C 1358984029 FVOQDBXLEBFWNN-UHFFFAOYSA-N 416.489 1.984 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccsc1)N(C)C 1359023839 YFNZUDATRIGXIF-DLBZAZTESA-N 416.551 1.680 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1359029357 VSNOCTRETXFZOG-IBGZPJMESA-N 415.586 1.099 30 10 HDEE C=CC1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359180447 GBZVZMZRWDWAPW-FQEVSTJZSA-N 408.568 1.963 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359214758 LJJOLRPKJJBGPS-OAHLLOKOSA-N 410.544 1.056 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1359334602 LEXSILSNOUESJG-UHFFFAOYSA-N 420.539 1.131 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2=O)cc1Cl 1439745519 DWHJBJWMIADWST-WPXLMEDKSA-N 421.906 1.789 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1 1440679764 CNLXDBQJVBIRPN-IBGZPJMESA-N 410.453 1.475 30 10 HDEE O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCCN/C(O)=C1\N=CC=CC1=O 1443540689 YQGPPVYWLXKYRW-BMRADRMJSA-N 411.384 1.423 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)CCN1CCOCC1 1446388681 HBJXZNOJFVWFRZ-OAHLLOKOSA-N 405.923 1.175 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 1448511887 CFONNIYZOYQQIY-GOEBONIOSA-N 417.510 1.993 30 10 HDEE C=CCn1c(SCC(=O)N[C@H](C(=O)OC)[C@@H](C)O)nnc1-c1ccc(Cl)cc1 1455710199 YEHAGLKPHPFFKA-ABAIWWIYSA-N 424.910 1.915 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)cc21 1456535284 SRIYPKPTUQKDMT-KRWDZBQOSA-N 409.421 1.974 30 10 HDEE C#C[C@@H](NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 1459982262 FVJIHGOEXZOWNW-MOPGFXCFSA-N 405.520 1.570 30 10 HDEE COCc1nnc2n1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1461369318 LGPCAYUGEHRZII-AWEZNQCLSA-N 406.487 1.744 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CCO1 1470137099 LDGIABZMWPURAS-NHCUHLMSSA-N 411.462 1.736 30 10 HDEE COCc1nnc2n1CCN(C(=O)NC1CCN(Cc3cccc(C#N)c3)CC1)C2 1470671694 JBZJWGOGSYAAHZ-UHFFFAOYSA-N 409.494 1.486 30 10 HDEE COc1ccc([C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C2CCC2)cc1 1471492185 JBKNREFNFRVHDF-GOSISDBHSA-N 409.446 1.937 30 10 HDEE COc1ccc([C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C2CCC2)cc1 1471492188 JBKNREFNFRVHDF-SFHVURJKSA-N 409.446 1.937 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)C1 1471833034 NZPHGPHDYLLJDD-SJLPKXTDSA-N 409.577 1.300 30 10 HDEE N#Cc1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)[nH]1 1472202943 OSJKMFAFMPYPFZ-CQSZACIVSA-N 420.210 1.804 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2ccccc2C#N)CC1 1473139145 BCJDDPVTZSIOEH-UHFFFAOYSA-N 411.428 1.159 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1475803312 MSVSXUGCJSQVLX-UHFFFAOYSA-N 406.426 1.568 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1494654099 DCQAMWFGSWVHDX-JIGPKXGUSA-N 424.505 1.448 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1503256973 AIKIUVFIJDFBCH-OAHLLOKOSA-N 415.523 1.690 30 10 HDEE COC[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)OC 1504590756 YWBSKNJSIYEKFM-UONOGXRCSA-N 407.421 1.537 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1504964333 HMBZYUVOZRKASN-AUUYWEPGSA-N 410.494 1.749 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1505082301 OXJFHPIBJXSFRO-ISSKPRFKSA-N 423.539 1.032 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC(F)(F)Br)CCO1 1505326333 XWUWPGKZLWMUAW-GFCCVEGCSA-N 413.226 1.980 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1507666546 BMWDWCJQUAPXEG-KRWDZBQOSA-N 422.489 1.414 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(=O)NC 1507677320 XYKMUMAKMWFWBL-IRXDYDNUSA-N 401.511 1.237 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC)C(=O)C1 1507796516 BASMFIBYYJUBAY-QFBILLFUSA-N 411.510 1.775 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507847678 PMAIVTKUFUNKHB-GOSISDBHSA-N 413.526 1.543 30 10 HDEE C=C(C)COCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1507848282 IUDAVPNOFWTTOG-UWJYYQICSA-N 422.526 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCOC1 1508141180 SXZYJBHARZBQKC-INIZCTEOSA-N 405.524 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508142127 QRQYMYZXCRYLTG-JKSUJKDBSA-N 407.540 1.203 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1508515250 INEUQMSINQKDRM-UHFFFAOYSA-N 413.526 1.568 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCS(C)(=O)=O)o1 1510827777 INSQVKWPRACDCK-HNNXBMFYSA-N 407.496 1.790 30 10 HDEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1517027408 NXRXDCDJLJEDHU-UHFFFAOYSA-N 403.531 1.109 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)C(C)(C)C1 1517626275 KUMNAVNRLROFBG-INIZCTEOSA-N 418.523 1.227 30 10 HDEE CS(=O)(=O)CC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CC1 1519515105 BDQHUSUYTIEJQN-UHFFFAOYSA-N 420.539 1.079 30 10 HDEE C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1522156487 MVFZEJPNQKPQIS-RSJGLCBASA-N 403.523 1.794 30 10 HDEE C#C[C@@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCCO1 1523759363 CIRGVWPSXMDFDQ-HUUCEWRRSA-N 400.294 1.910 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(-c2ccc(C#N)cc2)n1 1528583394 MVXMEDMWAOSIDG-HDICACEKSA-N 405.458 1.750 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CCOCC1 1533501001 ONMHKLKHPFEAAI-UXHICEINSA-N 404.532 1.773 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(CC(=O)N(C)C)nn1 1535432839 DYDCUYZUVBBZFT-UHFFFAOYSA-N 408.256 1.946 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1537504356 HVQIMTDDBZDYPS-UHFFFAOYSA-N 405.455 1.398 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)CC1CC1 1539327985 JRTIMNSMNHLHIE-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(=O)NC(C)C)CC1 1539452688 YMMAOPPOQKWCMJ-IBGZPJMESA-N 424.505 1.070 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(Cc1ccnn1C)C1CC1 1539490223 TZIHJNLGACKBAA-UHFFFAOYSA-N 413.551 1.783 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1539965968 CQAYPCVTGFEDBS-MSOLQXFVSA-N 423.583 1.841 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1540163981 FPDOZGQVYFXAKC-UHFFFAOYSA-N 407.478 1.459 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1541803394 HMGTUTCUHKHUNJ-GJZGRUSLSA-N 420.514 1.850 30 10 HDEE C#CCN(C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1543462048 JILOBAWYVVNXOF-ZWKOTPCHSA-N 418.515 1.683 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)C(=O)OC 1544351354 FRGDBFPOZXXAEQ-OAHLLOKOSA-N 400.884 1.972 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCC(=O)NCc1cccnc1 1546218756 QVWKJIRSTZEGEE-INIZCTEOSA-N 403.483 1.791 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1554381623 FIARLHKZADGHRB-GFCCVEGCSA-N 419.436 1.016 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cccnc2)C(C)(C)CO)c1 1557216623 FWMSLHTWYXUWPX-GOSISDBHSA-N 401.488 1.483 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1557648784 WFACONHOBCUWBY-GFCCVEGCSA-N 411.459 1.065 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC)cc2OCCCC)CC1 1558075275 RYCDBDYGODREQJ-UHFFFAOYSA-N 409.508 1.100 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@]3(CO)CC[C@@H](C)c4ccccc43)CC2)o1 1560226661 WUBTUESZVLUAJF-MWTRTKDXSA-N 423.517 1.878 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1562523367 IUXCYISDUYKHIS-QAPCUYQASA-N 424.523 1.239 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)CC1 1565814978 QBFKVAHOMYSTIF-UHFFFAOYSA-N 420.579 1.006 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](N2CCNC2=O)C1 1584075337 PIUKDCSFHBFWAN-JKSUJKDBSA-N 407.515 1.980 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(CNC(C)=O)cc2)cc1 1584231119 YZVAFPBIWXCIEZ-UHFFFAOYSA-N 401.488 1.717 30 10 HDEE Cc1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)nc2c1c(=O)n(C)c(=O)n2C 1585452738 UGDITYGKFLMHMM-QGZVFWFLSA-N 419.441 1.026 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cn1 1586553576 JYRRHALBQHNERS-UHFFFAOYSA-N 400.460 1.760 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)c1 1587213436 PXKAULQORYSWPW-WMLDXEAASA-N 410.492 1.239 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC(=O)N2)c1 1587692296 BVFMARVUTCNTQK-SJLPKXTDSA-N 422.489 1.117 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1587851670 MGQPTWHWKOFUHM-DLBZAZTESA-N 408.510 1.538 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1587862074 SRJMVWHKJRAUOB-QGZVFWFLSA-N 421.567 1.795 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1587999174 RUCDRCGRMRZEDY-NRFANRHFSA-N 412.563 1.541 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nccc(C(F)F)n1 1588089731 OHRGSLKEVLNCCD-HXUWFJFHSA-N 416.432 1.779 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1588200179 GAGGDKRKPWNNFF-UHFFFAOYSA-N 417.473 1.570 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1Cc1ccc(C(N)=O)nc1 1588660185 RSVMHAJECOZMKS-UHFFFAOYSA-N 418.501 1.806 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1588857506 OSTZLJRUIKVVFK-UHFFFAOYSA-N 419.595 1.591 30 10 HDEE C=C(C)CN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1589657626 HSTGZTOJLZDZST-UHFFFAOYSA-N 412.542 1.943 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1593636097 GBDKDFGBKLSPKV-RDJZCZTQSA-N 420.539 1.551 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1593776321 JLSMQHHBYZKVRM-IAGOWNOFSA-N 404.515 1.763 30 10 HDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1594787882 BVIVBGSYVHJBHK-UHFFFAOYSA-N 409.288 1.565 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(CCC)C(=O)C1 1595517162 QZNXETMOXLVMBX-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccco1 1595789511 VFIYEMHIMPIYKU-LSDHHAIUSA-N 419.507 1.765 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1596840581 FFAWZYNPNZWCPC-INIZCTEOSA-N 403.531 1.107 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cccc(C(N)=O)c1 1612599593 LMYVVRXTQXRXBU-UHFFFAOYSA-N 416.489 1.521 30 10 HDEE Cn1c(N2CCC[C@@H]3CC[C@@]32CNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1612988186 BOYNGSDCTPOURI-ZUOKHONESA-N 403.483 1.229 30 10 HDEE CCOC(=O)C1=C(Cn2ccc(C#N)cc2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 1614711786 DLFNAKXSHVOQIG-IBGZPJMESA-N 408.414 1.600 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1617350545 MZAQHWMOSQUCCT-WGDIFIGCSA-N 408.476 1.973 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCC2CCN(CC#N)CC2)C1=O 1617360189 NBNYBMOMDYKSDS-KRWDZBQOSA-N 421.542 1.101 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC(F)F)cn1 1618397846 VGSDXPSRSKARKY-HNNXBMFYSA-N 406.441 1.484 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1619911087 HKBUDNAMUFJBHT-UHFFFAOYSA-N 422.493 1.906 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C)n(C)c1=O 1619912447 DBTYKPXPARDLNU-SFHVURJKSA-N 414.510 1.594 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1620356730 HBIKXSGAFBGHAC-RBSFLKMASA-N 414.432 1.743 30 10 HDEE C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635337 KRYNLQQKFCFKGH-VGTOOOLASA-N 408.480 1.633 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Cl)c(NC(=O)C3CC3)c2)C1=O 1626439379 HPWHFKIRKJBVFU-UHFFFAOYSA-N 404.810 1.604 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 1627487582 QADKAHDRZXBAQR-MRXNPFEDSA-N 412.471 1.069 30 10 HDEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](CO)c1ccccc1 1628297194 IQAZWGMNDOWFPC-OALUTQOASA-N 406.442 1.955 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1629894214 DIVIOASVJBFFHS-HKUYNNGSSA-N 420.598 1.816 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 1630421771 DSNJMNMRHRCOFT-CQSZACIVSA-N 421.519 1.853 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COc3cc(OC)ccc3C2)s1 1632289869 CTCLNEMTDBNZKQ-AWEZNQCLSA-N 422.528 1.883 30 10 HDEE COc1cc(N)c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)cc1S(C)(=O)=O 1633295450 ZZJGMBCHSCGPJI-GOSISDBHSA-N 415.471 1.766 30 10 HDEE C=C[C@@](C)(O)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634740953 GBQHLUYVKAMAOZ-CZUORRHYSA-N 417.325 1.655 30 10 HDEE C[C@]1(C(=O)NCC2(C#N)CCOCC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1637331764 DMFGTFJCJITLDC-YLJYHZDGSA-N 401.463 1.585 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CCN2CSCCSC2)C1 1638203587 RYYSWJMJOSCYSG-KGLIPLIRSA-N 400.570 1.949 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]1(CO)c1ccccc1 1640715641 MRBSQVVPQPJIOQ-IIBYNOLFSA-N 413.499 1.735 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(C#N)c[nH]c2c1)C1CCCC1 1642454685 KNFPWMPHMYLALR-SFHVURJKSA-N 403.508 1.724 30 10 HDEE N#CC1(C[C@@H](O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1644406524 GUZWMVDQSHZPCK-GOSISDBHSA-N 407.536 1.454 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cncc3ncn(C)c23)c(=O)c1C#N 1648750420 RVZDIKMSMDRWIH-UHFFFAOYSA-N 401.224 1.765 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCc2nc3ccccc3s2)CC1 1650846249 OUUGGENDZIRQMQ-UHFFFAOYSA-N 420.560 1.621 30 10 HDEE Cn1c(N2CC[C@@]3(CCCCN3C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1652258856 VKHPWUHEAZGXBW-FQEVSTJZSA-N 403.483 1.326 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C)c1ccccc1 1653396866 NVFTWIJTVVVJDA-LOKFHWFJSA-N 424.548 1.943 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC#C[C@H]2CCCCO2)C1 1653545210 XXYVRTCWJOJBSE-HZPDHXFCSA-N 414.524 1.099 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(F)F)CC2)CC1 1654471869 FGAZJLUMFLJDHK-QZTJIDSGSA-N 410.440 1.891 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCCN(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1662750993 WNQCGQVEGPYGMU-INIZCTEOSA-N 409.508 1.290 30 10 HDEE C=CCCCS(=O)(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1662956918 FFQRDUCLPQBYQM-HNNXBMFYSA-N 400.541 1.937 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1664986604 OUVQJRCBAZYSLO-UHFFFAOYSA-N 409.508 1.642 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC)c(C(C)C)c2)CC1 1669828447 AXJZOAYWGFEVSB-UHFFFAOYSA-N 407.536 1.264 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 1671566421 GDLCCNUXLCDNJK-YADHBBJMSA-N 408.502 2.000 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCCc2ccc(C#N)cc2)CC1 1683981116 BIOXGWPVPFVPBE-UHFFFAOYSA-N 421.567 1.795 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)cn1 1684076732 KVUFGGHSKFXUFM-LJQANCHMSA-N 411.487 1.455 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC[C@@H](CNS(=O)(=O)C3CC3)C1)C2 1684754059 WPIGVVYIPMCORA-MAUKXSAKSA-N 402.520 1.529 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1686036001 MONQSFHGVUPGQS-HGKSCXNLSA-N 402.520 1.087 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1689928231 JVDIBSLEGOUABD-MRXNPFEDSA-N 412.519 1.667 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](COC)OC 1690046736 GHLHHRBQCGCQDB-XLIONFOSSA-N 410.474 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CC(=O)NCC1CC1 1690055360 SPTDCVBIVTYWNW-UHFFFAOYSA-N 409.465 1.985 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690075057 BLDVTKUIBDFCPT-RBUKOAKNSA-N 416.570 1.574 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(C)c1 1690093758 JDROPXQKVFQDAR-FQEVSTJZSA-N 402.499 1.187 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCC2(C)C)CC1 1690111465 CCGIVQIUENMVMI-IRXDYDNUSA-N 422.599 1.470 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)N[C@H](C)CC)CC1 1690143962 HSDGDNWULZNQET-MRXNPFEDSA-N 414.554 1.816 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC)C2)CC1 1690411985 ZLPWFLHWCJWLOG-MSOLQXFVSA-N 407.584 1.924 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(=O)N(C)C)c1 1690515947 XUHQQZAAFMJUQN-CQSZACIVSA-N 420.539 1.261 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690660644 LXKZHGQCMZFOFI-ZWKOTPCHSA-N 423.521 1.336 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Cn2ccnn2)CC1 1690673167 QCOCRZZBWFBEOM-UHFFFAOYSA-N 421.509 1.074 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(F)(F)F)C1 1690731825 QXOGYZLNIHJBLC-OLZOCXBDSA-N 424.445 1.498 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1691005758 DQCWUUYZMBSGOU-RDJZCZTQSA-N 402.524 1.685 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1696503190 CQWPLUJJRNOGLM-IBGZPJMESA-N 417.539 1.718 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705515337 AVNMGHJQIWLBOX-SJORKVTESA-N 400.527 1.726 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1705583375 WVTQYPCNXSBEOL-OAHLLOKOSA-N 417.560 1.515 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCC 1705620984 MUOBHUXLFKVRPA-SFHVURJKSA-N 402.543 1.475 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1705736734 BALBONGRNXIFPD-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1705831955 IYWQNEWQXARVHT-UHFFFAOYSA-N 405.499 1.383 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(CC)noc2C)C1 1705921970 CUCCJZMMMWCWAG-RHSMWYFYSA-N 400.483 1.918 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C2CC2)C1 1705925857 VKDCNEMWVCMRBB-BBWFWOEESA-N 410.540 1.387 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCC[C@@H](C)C1 1708084743 DTPKOQJHWWDSBV-PMPSAXMXSA-N 411.576 1.359 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1722282109 WNOUSDTVTFJVII-YCRPNKLZSA-N 415.494 1.849 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1nccc(C(F)(F)F)n1 1722285781 ZHYMFNIQMNQIBV-GFCCVEGCSA-N 409.416 1.926 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1722384376 VQLJBRZULBPPKV-IAGOWNOFSA-N 412.519 1.027 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1722415660 FOVTYJBPIAXEDL-UHFFFAOYSA-N 417.535 1.661 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN(C)CC(F)(F)F 1722428038 AWRBWKHBDQSDBB-OAHLLOKOSA-N 403.449 1.752 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nc(C)cs2)CC1 1722431527 MHJRJRQZKUPMFU-UHFFFAOYSA-N 422.518 1.494 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCn2cncn2)CC1 1722438995 KBRDKPUGSWCCOH-UHFFFAOYSA-N 410.913 1.569 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722523544 YQMSEBQTOMIZQI-DLBZAZTESA-N 411.572 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2C[C@H]2CCCN2c2cnn(C)c2)C1 1722723019 UPZNYQCDXODPNL-IEBWSBKVSA-N 415.542 1.998 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722725273 HYBXPFAGOKVLTA-DLBZAZTESA-N 418.567 1.860 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1nnc(C)s1 1730945128 AKVKYLTZZAJDBP-DHSIGJKJSA-N 421.502 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)N1CCSCC1 1740540449 JSUNUUZUGANDEO-CQSZACIVSA-N 423.564 1.683 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)c1ccccc1 1740610105 SGOVTLHDOYAYKG-WMZOPIPTSA-N 417.535 1.484 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1740633324 DAEQVPCIRVEYKB-UHFFFAOYSA-N 410.503 1.219 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1740639567 TZYSRMPBZLFIDY-LJQANCHMSA-N 424.549 1.337 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1740648718 OOBSSGFCTBLGBF-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCCS(C)(=O)=O 1740654446 JPMJRYQOGHXSBI-UHFFFAOYSA-N 414.531 1.775 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccn(CC)c2=O)CC1 1740693709 JETSGMMAUXEQIB-UHFFFAOYSA-N 405.506 1.269 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)C(C)(C)C)CC1 1740699230 YRLGMQMFAVTCAM-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C(N)=O)cc2)CC1 1740702783 XMOYMJAIGQBASJ-INIZCTEOSA-N 422.533 1.905 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCCN3C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1740722086 DFUKZWBAQVZAKP-LVCYWYKZSA-N 419.595 1.970 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC)C1 1740751221 ZMIFMJKPQZPFTH-ULQDDVLXSA-N 407.515 1.249 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1)C1CC1 1740906530 PLKUALLVFFMWKN-CABCVRRESA-N 419.555 1.502 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)N(C)C)C1 1740983665 NDLZKTSVVPUKFG-LJQANCHMSA-N 413.522 1.941 30 10 HDEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1746409447 DSTMSRKJEGBVPY-QUCCMNQESA-N 421.505 1.942 30 10 HDEE CCOCc1nnc(N2CC[C@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1747131645 YOOJEBCDIKFCQD-SFHVURJKSA-N 405.480 1.343 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1nc(CCOC)no1 1748276878 AIENVHRBTMTOFC-UHFFFAOYSA-N 424.465 1.161 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)CC1 1748759313 FZHPVKDITUOVNU-UHFFFAOYSA-N 408.506 1.911 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748789093 VPCXONHXVDCEJY-INIZCTEOSA-N 403.508 1.132 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2cn[nH]c2)CC1 1748980050 XLVCDHXOPUDPNT-UHFFFAOYSA-N 406.450 1.574 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccn2)CC1 1749222846 METUJYJVOBTGDX-UHFFFAOYSA-N 407.482 1.444 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1749561844 YTIWHVZBZBSRKA-UHFFFAOYSA-N 417.535 1.899 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC 1749735417 RZLFTEFICQKBAI-CQSZACIVSA-N 404.558 1.017 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CC[C@@H]2COCCO2)CCO1 1750387911 DWPNSZXBMZSWER-HZPDHXFCSA-N 417.441 1.530 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)n1 1751845349 URPCQGICWRSQEO-LPHOPBHVSA-N 403.462 1.387 30 10 HDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1760139666 KWNSZOUWXLEAJM-UHFFFAOYSA-N 414.554 1.015 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](F)COC 1760193503 HDCRYYKQOPMSMM-KRWDZBQOSA-N 417.872 1.919 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1760336940 LASDHRGFEADZMR-QGZVFWFLSA-N 417.535 1.730 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H](OC)C1 1760554571 HIKYVKZVXFJOQM-QGZVFWFLSA-N 408.499 1.834 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1760935820 HAZBLJDCNGILRZ-KRWDZBQOSA-N 403.508 1.745 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC2(O)CCOCC2)CCOC1 1761273881 IZMHFMOWZOWBIR-OXJNMPFZSA-N 407.515 1.599 30 10 HDEE CC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1761570361 KWDAKJZTWUIOKV-INIZCTEOSA-N 422.555 1.541 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNS(C)(=O)=O)o1 1761755167 VFVOGCURVMUHRO-SFHVURJKSA-N 406.512 1.916 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1765440477 FYPPPZVWYNOQOM-HDMKZQKVSA-N 410.519 1.106 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCOC)CCO1 1767707413 IMUJQONXZHQFGA-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CCO1 1769241540 JIZNVNYKKAEKMG-INIZCTEOSA-N 400.508 1.521 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F)[C@@H]1CCN(C)C1=O 1849198132 QLPILZRPMQOSBR-HZPDHXFCSA-N 409.483 1.224 30 10 HDEE C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)N1CCN(CCC#N)CC1 1850871877 CJTFRQSYIFOXFU-GFCCVEGCSA-N 419.334 1.718 30 10 HDEE C=CCN(C(=O)c1cn2cc(I)ccc2n1)[C@@H]1CCN(C)C1=O 1851402651 MOGNQLMPVJWDQT-CYBMUJFWSA-N 424.242 1.798 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)NC1=O 1852325866 QJRNCIIUMCPMEX-UHFFFAOYSA-N 423.395 1.638 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1cn(C[C@@H]2CCOC2)nn1)c1ccccc1F 1852334464 SKGYCWPLZXRWRL-ZDUSSCGKSA-N 404.471 1.975 30 10 HDEE C=CCN[C@@H](C)[C@H]1CCN(C(=O)c2cn(CCN3C(=O)c4ccccc4C3=O)nn2)C1 1853572325 JWWXHFOQNAFOOP-HOTGVXAUSA-N 422.489 1.201 30 10 HDEE C[C@H](CCC#N)N1CCC(=O)N(C(=O)c2cn(C)c(=O)n(C)c2=O)c2ccccc21 1853614854 NGVTVIVIIXCDRF-CQSZACIVSA-N 409.446 1.160 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)C1 1853734910 MAMFQCCIJOPYLP-SJORKVTESA-N 404.511 1.997 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3cccnc3n2)C1=O 1853804189 DCHUVJIKFXLDOL-QZTJIDSGSA-N 407.474 1.480 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC3CCOCC3)C3(CCCC3)C2=O)CC1=O 1854096480 AEAFSIHVYZJEFT-SFHVURJKSA-N 403.523 1.431 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854547208 RKQWMDGCEKRTIR-WMZOPIPTSA-N 409.552 1.359 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCC[C@H](N2CCN(c3ncc(F)cn3)C(=O)C2)C1=O 1854759563 XRDJJPGRBUGQLB-HOCLYGCPSA-N 403.458 1.384 30 10 HDEE Cc1nc2ccc(F)cc2cc1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855069916 YOBZJUBLMPVXFJ-GOSISDBHSA-N 409.465 1.955 30 10 HDEE Cn1cc(C(=O)N2CCC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)nn1 1855157629 OPZCYJOJHAQTFP-IBGZPJMESA-N 408.462 1.361 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 1855227350 GUENNRWEVCNNSO-IAGOWNOFSA-N 416.547 1.713 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)C1 1855546224 OJKFVDLOODAMLH-INIZCTEOSA-N 423.510 1.473 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C2)CC1 1855867261 LEIPZUOBCNHNOL-DLBZAZTESA-N 412.465 1.789 30 10 HDEE C[C@H](C(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1)c1ccc(Br)cc1 1856254704 FKKIPGQWUBQFCL-GWCFXTLKSA-N 403.254 1.565 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856305056 VIDWNKJXVKNBAL-UXHICEINSA-N 408.502 1.880 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)Cn3c(=O)sc4ccccc43)C1=O)CC2 1856554335 ZPGHTYZJGZAUFM-GOEBONIOSA-N 410.499 1.816 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccccc1F 1856983215 JIOIKUCJPLGNFK-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(COC)cn2C)C1)[C@H]1CCN(C)C1=O 1857052892 COAPVUVBRZBRRZ-WMZOPIPTSA-N 416.522 1.269 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(C(C)=O)cc2)C1)[C@H]1CCN(C)C1=O 1857055193 ATXICQXBWZESEP-XLIONFOSSA-N 411.502 1.987 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)n1 1857116525 IZMDDONIHZEDCZ-MSOLQXFVSA-N 412.490 1.456 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)[C@H](C)C1=O 1857125724 SIQWIJUECZSJIQ-HUUCEWRRSA-N 406.504 1.972 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)C[C@H]3CCOC3)C2)CC1 1857397769 PTFYPVHTZQWNEI-QZTJIDSGSA-N 411.506 1.267 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N2CCN(C=O)CC2)n2ccccc12 1858242779 GFVZJDRUGXJTAI-UHFFFAOYSA-N 402.414 1.372 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861272307 RJCWLNOIZBBVHJ-FUHWJXTLSA-N 415.877 1.428 30 10 HDEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870233197 YBCVWKDVQNJZTC-CYBMUJFWSA-N 412.475 1.496 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882497890 PJOOECVRQQYWOM-QGZVFWFLSA-N 420.418 1.992 30 10 HDEE C#CCN(C(=O)OC(C)(C)C)[C@H](CN)c1nn(C)cc1I 1884945933 NCHROBZGJOIBCP-LLVKDONJSA-N 404.252 1.895 30 10 HDEE C[C@H](C#CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1902015321 XUYXTJZZWRXVKR-WZONZLPQSA-N 415.534 1.998 30 10 HDEE C=C(Br)CS(=O)(=O)N(CCOC)C1CN(C(=O)OC(C)(C)C)C1 1982285978 DRXNXRUYNOKRKC-UHFFFAOYSA-N 413.334 1.793 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995109848 OBPUQHIADYNNSY-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE C#Cc1cc2n(c1)C(=O)N(CC[C@](C)(C(=O)NO[C@H]1CCCCO1)S(C)(=O)=O)C2 2069453787 ZOSXUAJBKFSVMR-QFBILLFUSA-N 423.491 1.021 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N=S1(=O)CCC2(CC1)CN(C(=O)OC(C)(C)C)C2 2119535890 SEQWEQNYZKAXHH-CYBMUJFWSA-N 405.542 1.975 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)C1CCN(S(=O)(=O)N2CC(C#N)C2)CC1 2174786766 NDAZCHSPGRFIGE-UHFFFAOYSA-N 400.545 1.949 30 10 HDEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cscc1C#CCO 2186651248 GOSMLDPCWXZQRF-HNNXBMFYSA-N 406.529 1.888 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOCCNC(=O)OC(C)(C)C 2247832600 RFQIETSDHUFPQG-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE CCn1cc(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247839421 XBVJBUKXYSOCTO-ZDUSSCGKSA-N 422.335 1.845 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247914876 RXWPFOLKFMYYFE-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2247926598 UQZGTGLDYSVKPQ-WDEREUQCSA-N 414.189 1.566 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)CCO2)C1 2247929249 FITOAEFESAAWNC-OAQYLSRUSA-N 420.315 1.860 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248054787 JCJKNGLABMFOFM-UHFFFAOYSA-N 418.303 1.467 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055237 KWXUMNVWRGBMEZ-ZDUSSCGKSA-N 420.319 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003912 DBPZQUAQFKICRZ-NRFANRHFSA-N 422.331 1.890 30 10 HDEE C=CC[C@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258134209 LKHZHYCRYSUTAP-RDJZCZTQSA-N 410.492 1.682 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](C2OCCO2)C1 2282007617 DBMLPQSVLLTICF-CQSZACIVSA-N 405.304 1.253 30 10 HDEE CC1(C)[C@H](O)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331309 MARPNAVSTGJHOL-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341398 RQQYKOQKJLXOHS-QWHCGFSZSA-N 401.359 1.971 30 10 HDEE CC1(C)[C@@H](N)C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493547 UWFODJBKXNUXIG-FZMZJTMJSA-N 400.375 1.699 30 10 HDEE CCCN(CCN)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495455 MQDWJEDKKRWSFQ-UHFFFAOYSA-N 402.753 1.999 30 10 HDEE CC[C@H](CO)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282504528 QCDXFOYFMYITOO-LBPRGKRZSA-N 403.737 1.936 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282634007 GYDJQKPVFMUITP-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(N)=O)C(C)C 2282833579 IXBZMVYTOMRUIR-CYBMUJFWSA-N 402.347 1.144 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC23CC(CO2)C3)OC1(C)C 2282837277 SWMXFYMVOIRMDT-UHFFFAOYSA-N 400.331 1.041 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282862038 XWEVKZOAWQVMGV-ZJWNCGCPSA-N 401.359 1.373 30 10 HDEE CN1CCC[C@@H](N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282863798 WRJHZIMGOCDFIF-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CNC[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866714 NVSVGGZEVMVTGX-TZMCWYRMSA-N 400.375 1.322 30 10 HDEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1N=Cc1ccccn1 2327446184 WBOLCRHECDYIIX-UHFFFAOYSA-N 404.402 1.990 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2342064062 OUNLNDFINMRTLJ-IDYZSHNDSA-N 420.531 1.365 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCC[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2365179787 PTEXRPUCKZXIFU-HNNXBMFYSA-N 407.529 1.122 30 10 HDEE CCCN[C@H](C#C[C@@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2366732905 URWILMCWJCDHLP-RBSFLKMASA-N 406.495 1.951 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1[C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2367608407 YHYLNZZCKPBTHU-ZJIFWQFVSA-N 402.557 1.585 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367795982 GXIFXGOYZWAGFB-BEFAXECRSA-N 400.541 1.571 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367808359 CADKATHLKDTSKP-KXBFYZLASA-N 402.557 1.457 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819960 PZMIYHRXXWURQU-OAGGEKHMSA-N 402.557 1.442 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2372806992 IMWZZLLOEWVNJW-HBUWYVDXSA-N 402.513 1.514 30 10 HDEE Cc1c(C(N)=O)sc2ncn(CC(=O)Nc3sc4c(c3C#N)CCC4)c(=O)c12 5237236 VFFFGJMMVUQCSZ-UHFFFAOYSA-N 413.484 1.926 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(CC)cc2)s1)[C@H]1CCS(=O)(=O)C1 111192521 DLRFQDPULAQSCC-INIZCTEOSA-N 418.544 1.975 30 10 HDEE COc1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254501568 PRWSMYRCUIFQAY-UONOGXRCSA-N 412.489 1.552 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCc3ccnc(O)c3C2)c1C 426559411 XYVKFNJLTRDHKH-UHFFFAOYSA-N 416.441 1.985 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)NC3CCC(Oc4ncccc4C#N)CC3)C2=O)cn1 446622134 CPTFLYIIPROESE-VJFUWPCTSA-N 423.477 1.481 30 10 HDEE COC(=O)[C@H](CNS(=O)(=O)Cc1ccc(C#N)cc1F)Cc1ccc(O)cc1 481017493 CUOMGROIGTWARV-INIZCTEOSA-N 406.435 1.854 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 481233806 NGEBIXCIOJZBKK-HNNXBMFYSA-N 420.535 1.332 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 482147178 CLCYDILTLHRPOX-RDJZCZTQSA-N 418.519 1.086 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)s1 486735958 KKKBLHZSDBZYFH-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cncc3ncnn23)CC1 508935539 OCHRMZODGTUHCB-UHFFFAOYSA-N 424.513 1.147 30 10 HDEE CN(CCC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 522780206 DUTQHKWYZXGOOW-AWEZNQCLSA-N 400.298 1.974 30 10 HDEE C=CCN(C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 531208790 HGNXETFGMXQAIE-ZBFHGGJFSA-N 414.549 1.242 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 543905054 UDGMXIHPIJDYJS-NSHDSACASA-N 412.397 1.661 30 10 HDEE COCCC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 544712173 NGZDZSDCKFLWSC-UHFFFAOYSA-N 408.524 1.637 30 10 HDEE Cc1ncc(S(=O)(=O)N(CC(=O)O)Cc2ccc3c(c2)OCCO3)cc1C#N 559198485 CVXPBHYXXGMLTC-UHFFFAOYSA-N 403.416 1.308 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 560719474 BYEZNYJDQWCAAH-QGZVFWFLSA-N 422.526 1.796 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1n[nH]c(C2CC2)c1C#N 575896696 VUPAGARMZDBPPA-UHFFFAOYSA-N 415.475 1.740 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227196 QPTFCCGCDJVCKQ-UHFFFAOYSA-N 401.492 1.942 30 10 HDEE N#Cc1cc2c(nc1N1CCN(CCn3nc(-n4cccn4)ccc3=O)CC1)CCC2 585587318 PPGPKZWDBFAQDH-UHFFFAOYSA-N 416.489 1.007 30 10 HDEE N#Cc1ccc(NC[C@@H]2CCCCN2CCn2nc3c(cc2=O)CSCC3)nc1 585628330 XFHYZHFKDWKBBJ-SFHVURJKSA-N 410.547 2.266 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N[C@@H](C)CC)nc1C 586304279 NUJWBNNGUMAIQO-RSNKEIGGSA-N 401.510 1.396 30 10 HDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)c2cc(C#N)c(SC)nc2O)c1 608988983 QSURXQYDZPRXOK-SNVBAGLBSA-N 406.489 1.780 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(NC(=O)C(C)C)cc2)CC1 643514181 OCLLLFILWTVLJE-UHFFFAOYSA-N 401.511 1.411 30 10 HDEE COc1ccnc(N2CCN(CC(=O)[C@H](C#N)c3nc(O)c4ccccc4n3)CC2)n1 725797295 VWXAJNIAAYMGCT-HNNXBMFYSA-N 419.445 1.132 30 10 HDEE C=CCn1c(C)nn(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1=S 727825700 VOVDPDDNBITAIM-UHFFFAOYSA-N 422.580 1.596 30 10 HDEE CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706752 NUXLSMMAVYLBQR-CQSZACIVSA-N 421.295 1.985 30 10 HDEE CCc1ccc(CN2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)s1 739006055 XNYGREAVGVJPIR-VHEBQXMUSA-N 417.535 1.664 30 10 HDEE COc1ccc(CNC(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 746727368 CPYLPUDLVPCROS-KRWDZBQOSA-N 408.506 1.972 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1 755556485 ZQFGZSGLUPURKV-XHDPSFHLSA-N 406.414 1.648 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCC[C@@H]2CN2CCOCC2)c1=S 765039541 CVUOFYNUGVPXMJ-MRXNPFEDSA-N 401.540 1.811 30 10 HDEE COC(=O)c1nccc2c(S(=O)(=O)N3CCN(C4CC4)[C@H](C#N)C3)cccc12 766808799 XOMLXYWCXYXEGI-CQSZACIVSA-N 400.460 1.382 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCN(Cc2ccccc2Cl)CC1 766982464 FJNSPLCCXBFACE-HNENSFHCSA-N 417.897 1.694 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@@H]3CCCNC3=O)nnc12 767238468 WTLAIKANZFSODM-CQSZACIVSA-N 413.459 1.144 30 10 HDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 780203257 BBPPSICQXSYHSB-RDTXWAMCSA-N 411.414 1.101 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCc2nnnn2-c2ccc(OC(F)F)cc2)cc1 780206443 SYVYXZJWRCRBHG-INIZCTEOSA-N 401.329 1.912 30 10 HDEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(CCO)C2=O)cc1 785283070 GBPQDAFEKFESHW-UXHICEINSA-N 420.469 1.380 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cc(OC)c(OC)c(OC)c2)cc1C#N 785487797 XPAKBZUTHOREMX-UHFFFAOYSA-N 413.430 1.525 30 10 HDEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 786803969 KSTIXHOEGWTNJM-HZPDHXFCSA-N 402.813 1.834 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(=O)Nc2ccc(F)c(F)c2)n1 788848220 DZNOYWBDUVKLLX-UHFFFAOYSA-N 405.405 1.591 30 10 HDEE C=CCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N(C)CCOC)nc1 789970855 RWIVQICLCUQRBD-UHFFFAOYSA-N 412.523 1.792 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 800127463 TVIWVNBDGVCOLF-GOSISDBHSA-N 416.544 1.569 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc([C@H]3CCC(=O)N(CC4CCCC4)C3)no2)C1=O 856575850 LXOMGKGITDOUSN-AWEZNQCLSA-N 415.450 1.443 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1 916692080 WOGRLCRUCIFFLK-XLNRJJMWSA-N 421.523 1.633 30 10 HDEE Cn1cc(C=NNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c2ccccc21 1084171258 VHPWJZKBDFHIIL-UHFFFAOYSA-N 422.493 1.483 30 10 HDEE C#CCN(c1nnc(-c2ccco2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1122992182 PIYOSXZYFNSDPU-HZPDHXFCSA-N 404.492 1.734 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 1130753524 LVMTYGPWPALEHB-UHFFFAOYSA-N 415.413 1.502 30 10 HDEE COC(=O)C1=CC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1131196194 WWTKSERXBLOIFM-QGZVFWFLSA-N 417.487 1.337 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N3CCO[C@@](C)(C#N)C3)CC2=O)cc1OC 1134268200 ZQUKZNKKOMDHOJ-IERDGZPVSA-N 401.463 1.236 30 10 HDEE COc1nn(C)cc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1134765399 CDSOOAXUQBACDP-UHFFFAOYSA-N 417.491 1.017 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C[C@@H]3C(=O)OC)s1 1136822828 OGJVCNFPFNMSHL-CQSZACIVSA-N 412.533 1.557 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1OC 1140720293 WOKOJMNMQMGJDL-DZZUKKPASA-N 409.508 1.447 30 10 HDEE CN(CC(=O)Nc1ccc(Br)cn1)C(=O)c1cccc(C#CCO)c1 1143663203 KAVUFJPVARYKDK-UHFFFAOYSA-N 402.248 1.899 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n([C@@H]3CCCOC3)c2C)CC1 1144027845 QAIFEOHUCGGXFZ-LJQANCHMSA-N 400.523 1.354 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1157929170 XLBWMDAYTADPAG-FUHWJXTLSA-N 424.480 1.678 30 10 HDEE COc1ccc([C@@H](C)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1159447596 IEVZOGGGWIFPKF-CYBMUJFWSA-N 403.460 1.731 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC(C)(C)C1=O 1159558741 JDFVQOZZGHDWLF-LBPRGKRZSA-N 416.906 1.859 30 10 HDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccccc1 1163096638 IEWWTPBPAMWHOH-QGZVFWFLSA-N 402.472 1.863 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@H]2CC[C@H](C(F)(F)F)O2)n1 1189895725 CCVYMNWAEINHJU-HUUCEWRRSA-N 409.430 1.404 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1194897288 URZMTIATDJHPDW-HUUCEWRRSA-N 420.528 1.440 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 1215276065 UHRUBQYINQNXKY-MSOLQXFVSA-N 405.520 1.858 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CCN(C)CC1 1224193776 GQPFMYSWPRHOOX-LJQANCHMSA-N 411.550 1.627 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1286274227 MXXSIEYNOBSFPM-QRCPMIHRSA-N 409.556 1.551 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1286393766 RXDVSSUPRPMOFE-MRXNPFEDSA-N 405.549 1.837 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1-n1cccn1)[C@H]1CCS(=O)(=O)C1 1286396974 ZKJAEKKPZWIFQL-SFHVURJKSA-N 424.530 1.701 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CC1CCS(=O)(=O)CC1 1286405546 DRDTYVOLJFBTLW-UHFFFAOYSA-N 400.479 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCCn1cc(CO)nn1 1286427843 GGZUHFDNYCHCMV-UHFFFAOYSA-N 421.480 1.645 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn2ccc(C)cc2n1 1286451389 IZXGLFUSPMDUSG-OAHLLOKOSA-N 415.523 1.352 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1CC 1286467273 OIMUHBYZIWXNHC-LJQANCHMSA-N 416.547 1.877 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)CC)CC1 1286484346 MJDZYUJCOJELQO-LJAQVGFWSA-N 419.526 1.520 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc21 1286496496 SIXBWGPUUCTGGA-CQSZACIVSA-N 405.549 1.949 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286622968 NQNNTSYAGOJNNA-MRXNPFEDSA-N 420.857 1.947 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)CCOC)C1CC1 1286736258 BHRPYFLJJHSWAE-HXUWFJFHSA-N 403.483 1.948 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)C1 1286811103 ZRNTZCNATPVQJE-RCCFBDPRSA-N 423.583 1.302 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCOC1 1286954222 IOBQCKZTIFIEEQ-GOSISDBHSA-N 412.494 1.728 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1286963388 QCPMYPYWAVKUCJ-GFCCVEGCSA-N 411.919 1.529 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)C2)C1 1292415625 DNWMAGHUFSNGRK-HENSSYBJSA-N 416.478 1.179 30 10 HDEE CCCCC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1294496326 NJECCTWYNHBAAS-HNNXBMFYSA-N 409.508 1.743 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC)c(OC)c1 1300532303 RCHHSKJCQXCHCV-QGZVFWFLSA-N 407.474 1.758 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC 1300609262 LQNAELUJYYTEJN-UHFFFAOYSA-N 411.915 1.616 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OC)c2OC)CC1 1300698337 QXMNFXCRKQVPFS-QGZVFWFLSA-N 424.505 1.050 30 10 HDEE COc1ncccc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1300703116 BHXBPSDQYMGXKP-CQSZACIVSA-N 406.450 1.973 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(C)(=O)=O 1300887391 BWTFAYABEFABTL-IEBWSBKVSA-N 419.551 1.726 30 10 HDEE COC[C@H](F)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1301060456 GITRCBQOYVKKNS-CHWSQXEVSA-N 413.413 1.307 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C(N)=O)CCOCC2)CC1 1301091549 INBFZDVWHXHDTO-UHFFFAOYSA-N 413.526 1.578 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1301499142 YMEHXFDGXLZAPK-OAHLLOKOSA-N 402.543 1.836 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccsc3)CC2)nnc1C(C)(C)C 1301517735 BKIFYCHTLAQXBE-UHFFFAOYSA-N 416.551 1.902 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H]1CSC 1301520613 JPUSYRGIQFXRJZ-ZOBUZTSGSA-N 409.556 1.636 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1301952147 HORMXQSWRWXEKE-CABCVRRESA-N 406.512 1.563 30 10 HDEE CC(C)CSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303251076 JGEIYIMYPSLNFJ-DLBZAZTESA-N 417.583 1.795 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCc2nccn2C1 1303646567 SRSHPNYYIXNQCD-RDJZCZTQSA-N 418.505 1.976 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1313681853 YWJSDOSWRJWCAU-OALUTQOASA-N 423.521 1.852 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)nn1)[C@@H]1CCS(=O)(=O)C1 1318531325 LLHIKDJLQNZMLB-CQSZACIVSA-N 423.292 1.292 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)cc1 1321162562 OYBUYMRVMILFRI-QFIPXVFZSA-N 421.457 1.979 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(c2nnc(C)c(C)c2C(N)=O)CC1 1323999581 IZYYOWPHBAMKLP-INIZCTEOSA-N 404.515 1.812 30 10 HDEE C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1ccc(C#N)cc1 1358241558 BAKOZTUPALBGAZ-AWEZNQCLSA-N 420.512 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1358882495 ASYDTXUCKWWHQD-MRXNPFEDSA-N 410.503 1.777 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965955 FJIRIOMALVLEKP-RTBURBONSA-N 419.595 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2Cl)n1CC(=O)N1CCOCC1 1358990325 KAUMRGJYYPBNRP-UHFFFAOYSA-N 411.893 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cn2ccsc2n1 1359018619 WVOXBNUCKIZOOX-UHFFFAOYSA-N 401.496 1.260 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(C)COCCO2)n1 1359028374 PWKDFOQKEDTQAP-FQEVSTJZSA-N 402.499 1.129 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCSC2)CC1 1359032538 RPDFAFMNCURLCW-IBGZPJMESA-N 418.954 1.617 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nnc(CC)s2)CC1 1359045721 RDOFAWRNPYGUCL-UHFFFAOYSA-N 415.567 1.905 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359085520 QVSXKSUULLPOSN-GJZGRUSLSA-N 417.311 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCCc2c1cnn2C 1359297703 ZLFZVQYJVFJIPY-INIZCTEOSA-N 408.510 1.833 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C)CC1 1359334906 UMYPELGXWUNINU-INIZCTEOSA-N 409.556 1.628 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1359466287 XRWABLZDGVTTNL-JKSUJKDBSA-N 410.478 1.950 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1446276621 GBNVFZHNCZECCI-UHFFFAOYSA-N 413.223 1.205 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1450208575 AYENBUVMQURACH-GOSISDBHSA-N 415.471 1.673 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)c2ccc(C#N)nc2)C1=O 1461304570 NIQOGLDOAKANOI-OAQYLSRUSA-N 407.430 1.700 30 10 HDEE C#CCC1(NC(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)CCOCC1 1462841023 QVXSXGZYKSQVCV-OAQYLSRUSA-N 413.474 1.459 30 10 HDEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)CCCS(=O)(=O)C(F)(F)F 1462973127 DXZXPESIVIVYGD-UHFFFAOYSA-N 401.403 1.915 30 10 HDEE CC(=O)c1cn(C2CN(S(=O)(=O)c3cc(Br)cc(C#N)c3)C2)nn1 1464768904 AHXGNOWTHUIPJQ-UHFFFAOYSA-N 410.253 1.360 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NCCc3ccccn3)cc2)CC1 1467815554 XTXJSSHASZBKFG-UHFFFAOYSA-N 405.502 1.243 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1 1470281773 PQBGXEODEWJMBA-WMZOPIPTSA-N 423.473 1.234 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@H](C(=O)OC)c2cccc(Cl)c2)CC1 1470354182 SNHYXMIDMVQDFF-IBGZPJMESA-N 420.941 1.836 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(C(=O)OC)c1F 1475470138 LTAHGFYOJYNXAY-UHFFFAOYSA-N 403.403 1.717 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3cccc(CC#N)c3)C2)ccn1 1475477704 HXVRMTIFHOUHBV-KRWDZBQOSA-N 414.487 1.739 30 10 HDEE C#CCCS(=O)(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1475503675 XPUHITLWCRSMMD-MRXNPFEDSA-N 415.556 1.519 30 10 HDEE C=CC[C@H](NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccncc1 1477934306 VATVVRCQYWXRSO-ZWKOTPCHSA-N 409.556 1.953 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC(C)CC2)CCOC1 1502727432 AAOPMNMKXFDAFR-WIYYLYMNSA-N 418.542 1.391 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCc2cnccn2)C1=O 1503673837 SOMBWOXWMBJKBU-QFIPXVFZSA-N 416.489 1.764 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)OC 1504579881 DHBKMSIHGZZXEI-LJQANCHMSA-N 414.510 1.247 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)CCO1 1505322616 RLVFPLYRYGJBIL-CQSZACIVSA-N 407.421 1.275 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCN(C)C(=O)OC(C)(C)C 1507512006 BOEPZAHTOYJOOB-OAHLLOKOSA-N 404.515 1.839 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1507518407 LPNAYLSWESGQEK-PGRDOPGGSA-N 419.570 1.887 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1507632911 BNYMYPPCMPAFME-RBUKOAKNSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@H]1CCC(=O)N1 1507655175 AKHULNRKCBOPHF-QGZVFWFLSA-N 407.474 1.607 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(N)=O)cc2)CC1 1507723923 ZKLKTOPXCDFGMA-UHFFFAOYSA-N 417.477 1.029 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@](C)(O)CC)CC1 1507730531 SJLMFHCWBVNNSS-DENIHFKCSA-N 411.506 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(CC)C2)CC1 1507736203 HMLKHRVQSBJLDG-QGZVFWFLSA-N 409.538 1.581 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1 1507811469 AHSHBJGXRKPSFN-CQSZACIVSA-N 420.539 1.438 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507833261 HBIOPCSCKLYNPK-UHFFFAOYSA-N 423.521 1.402 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507855064 RALLGYPAEREODP-PVAVHDDUSA-N 413.950 1.912 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NCCOC)CC1 1507865685 HCULQZUTSYERGI-UHFFFAOYSA-N 405.890 1.467 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1508140287 MDWLMLRFACMIJP-ZIAGYGMSSA-N 410.569 1.610 30 10 HDEE Cc1c(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](C(N)=O)C2)cnn1C 1510498608 AMBPBINSUZMODP-QGZVFWFLSA-N 404.478 1.609 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)n1 1515435176 GPFGRUKTKGETOH-UHFFFAOYSA-N 406.446 1.520 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1517665634 ZZBJSSKHHQBFFO-UHFFFAOYSA-N 413.478 1.605 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cnnn2-c2ccccc2Br)C1=O 1519603711 USPRPMITCNLXSJ-CQSZACIVSA-N 404.268 1.889 30 10 HDEE C#CC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCCC1 1536324584 AZNGEVICSVDTPK-UHFFFAOYSA-N 421.494 1.354 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)c2cc(I)ccc2-n2cnnn2)C1 1537051301 FJYBWWAYISOWNB-GXSJLCMTSA-N 408.203 1.689 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ccccc3S(C)(=O)=O)cc2C1=O 1537455891 KGYKHZHKKVBGGW-UHFFFAOYSA-N 412.467 1.845 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1c(O)nc2ccccc21 1539026730 YYTDGSRFZJXCOQ-OAHLLOKOSA-N 407.478 1.614 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1539215425 BQAWPYUULQZREL-OAHLLOKOSA-N 418.523 1.177 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1539260282 MMEVNJHBYQQSJR-UHFFFAOYSA-N 424.505 1.189 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(S(C)(=O)=O)CC1 1539284302 MDFAOPAUYGAQRA-IAGOWNOFSA-N 418.563 1.847 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1540042479 OADBUHFNDWQZGZ-UHFFFAOYSA-N 420.558 1.743 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCCOc2ccc(C#N)cc2OC)C[C@@H]1C(=O)OC 1540169025 RBVDPTSPNIAMSI-GASCZTMLSA-N 404.419 1.146 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1540862571 FIWJRIXPULJMBM-UHFFFAOYSA-N 402.503 1.107 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC=C)C1CC1 1540865069 UQTWOFGYQIZCSL-UHFFFAOYSA-N 415.519 1.806 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C[C@H]1CCOC1)C1CC1 1540902883 SWKKRGDXNFSZTD-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1541803013 BGYIRJNYTFHQQT-GLJUWKHASA-N 407.496 1.419 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)c1 1542111740 SQJWBTDYXRURGP-GOSISDBHSA-N 414.506 1.616 30 10 HDEE C=CC1(CC(=O)NCc2cccc(CS(N)(=O)=O)c2)CN(C(=O)OC(C)(C)C)C1 1542729486 FTUTXPCICYUOCD-UHFFFAOYSA-N 423.535 1.905 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1543504798 BHVYSCDQQNYYJE-JTDSTZFVSA-N 424.505 1.821 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1 1557941949 XWQNXEQTNNKDNS-QRWLVFNGSA-N 408.474 1.161 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)ccc1OC 1564025073 HYWUUHJSQIWKCE-INIZCTEOSA-N 424.523 1.586 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 1564417367 SVPZETUXHBWCJH-UHFFFAOYSA-N 403.451 1.201 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CCN(C(=O)c4cn[nH]c4)CC3)CC2)o1 1569930443 SNPCPCUBCDHTJA-UHFFFAOYSA-N 411.466 1.215 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)cc1S(=O)(=O)NCC#N 1570889562 ASBJIXMNRFYOEG-AWEZNQCLSA-N 422.532 1.840 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 1586494198 ZAUQPGLBWRTCOJ-HNNXBMFYSA-N 404.308 1.970 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1587313459 PQIJEHRCIDCVFG-INIZCTEOSA-N 412.471 1.058 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(F)cc(I)c2N)CCN1C1CC1 1587317668 UYKQVFOIISNKBU-LLVKDONJSA-N 414.222 1.825 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1587909495 MEUOIVDQEQFTCN-CYBMUJFWSA-N 409.487 1.348 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588229108 RCDFGOKKZCTACO-MOPGFXCFSA-N 413.522 1.130 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC(C)(C)C2)CC1 1588805966 DQTVYRUGBCBJOA-GOSISDBHSA-N 413.570 1.106 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCn2cc(Cl)cn2)CC1 1588811224 DAMMAUCSJIAYQJ-INIZCTEOSA-N 403.918 1.477 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1588984489 HYANTGDVUKNEEF-STQMWFEESA-N 421.539 1.736 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)CCOC 1589162185 BRKMHUSTQGBRCK-FGZHOGPDSA-N 419.570 1.889 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1589528651 HNCYVKSWJIXJTC-BXWFABGCSA-N 413.526 1.752 30 10 HDEE C=C(C)Cn1c(N2CCC(OCC(N)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593682752 AQTVPUAEJNRUMP-FQEVSTJZSA-N 407.515 1.366 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1594783516 CLHVZPGJLLDNHK-SFHVURJKSA-N 418.542 1.411 30 10 HDEE C=CCCOCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1594829369 INWWMGKVIIFYFW-NHCUHLMSSA-N 422.526 1.519 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1594961856 GGMCKLDNZNNJQN-KGLIPLIRSA-N 419.498 1.669 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccc(Cl)cc1 1596961161 ONDNYWMDNFGMKE-NJAFHUGGSA-N 400.866 1.853 30 10 HDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCC#C[C@H]1CCCCO1 1606801439 KSCBJRIMONSALA-LJQANCHMSA-N 404.532 1.923 30 10 HDEE COc1ccc(C(=O)N(CC#N)c2ccccn2)cc1S(=O)(=O)N1CCOCC1 1611471275 UMGFNQUDWLAXIH-UHFFFAOYSA-N 416.459 1.281 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1612877845 NANMVLPNJBHIAB-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1612887508 XOEHKFSPCJODCV-ZDUSSCGKSA-N 420.433 1.105 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1614029376 IMLCMECCKGCVHV-HXUWFJFHSA-N 414.602 1.435 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(CC)CC)CC1 1616210483 QQRZJRHKTUICJE-SFHVURJKSA-N 422.570 1.696 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H](CC#N)C(F)(F)F)C1=O 1616998160 MTFSDXPEJLWLDC-CXAGYDPISA-N 412.368 1.731 30 10 HDEE C[C@]1(C#N)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CCO1 1617896332 ZNZCWSCBGGTGAT-ABAIWWIYSA-N 403.913 1.696 30 10 HDEE CN1CC[C@H](N2CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1623638693 LPTQPYFKMMOYOL-IRXDYDNUSA-N 421.542 1.385 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 1624503951 OBCSOXSXHAFNCX-VFNWGFHPSA-N 414.462 1.986 30 10 HDEE COc1cc(C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)ccc1C#N 1625116626 HNLYWAZHLVDEEB-UHFFFAOYSA-N 402.476 1.423 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN(C)S(=O)(=O)CC)n[nH]2)c1C 1625627624 SOGLOOLNMSVUGW-UHFFFAOYSA-N 408.528 1.477 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 1626073811 GMGFTGLFYIHPHX-CHWSQXEVSA-N 413.525 1.123 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)cc1 1626577531 YYAKCNGFYIAABP-UHFFFAOYSA-N 422.484 1.263 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCc3ccc(OCC#N)cc3)nn2)C1 1626727075 ZZPUJIXQQJQNMU-UHFFFAOYSA-N 412.450 1.902 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1627015520 UCXRCCKUSDGUIY-QGZVFWFLSA-N 420.554 1.163 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2)[C@@H]1CCS(=O)(=O)C1 1627119846 VEQORBIIBPRZFC-CQSZACIVSA-N 405.476 1.698 30 10 HDEE Cn1ncc(CCC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)n1 1627453905 CNCUURZZNYGUHT-QGZVFWFLSA-N 417.311 1.919 30 10 HDEE N#CCN1CCC(CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1629083213 XVPCQURFMCHMDK-INIZCTEOSA-N 406.280 1.882 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2C(=O)COc3ccccc32)c1 1631687765 SSONPMDLRIMEKU-UHFFFAOYSA-N 417.418 1.278 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1634866149 ZEZLBUOCIOZAGV-QZTJIDSGSA-N 400.328 1.575 30 10 HDEE N#CC[C@@H](CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1ccccc1 1636696603 TYXPTQPZKGWZRZ-HMFCVHIJSA-N 403.504 1.401 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1)c1cc[nH]n1 1637229640 HXQCASROBLMQIW-MRXNPFEDSA-N 415.450 1.029 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1637252216 HOYNCXIBLRFBBG-UHFFFAOYSA-N 417.466 1.377 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)C1 1638075796 UZYURUTWYLJWMS-OAHLLOKOSA-N 402.438 1.779 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)C1 1638392908 QWTFRFZIQSBYFL-MRXNPFEDSA-N 424.954 1.454 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1638999374 FZUILDFQOZZXMU-UHFFFAOYSA-N 416.478 1.741 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 1639305523 LBWYBMHNPNGTOP-KRWDZBQOSA-N 412.533 1.190 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)C(=O)OC 1639558996 RSJGDPXZFLXITE-CQSZACIVSA-N 423.409 1.426 30 10 HDEE C=CC1(CC(=O)N2CC(N(CCOC)CCOC)C2)CN(C(=O)OC(C)(C)C)C1 1639653588 LTAYYSYNNAIWMF-UHFFFAOYSA-N 411.543 1.605 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 1641354326 XENTVEVSDIWJQK-GDBMZVCRSA-N 413.565 1.914 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1641798467 SIQAPGMBZXODMK-IBGZPJMESA-N 414.487 1.867 30 10 HDEE C#C[C@H](NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C1CCOCC1 1641857531 CRNGTNCENQCMMZ-AWEZNQCLSA-N 415.309 1.563 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC(=O)c3ccccc3O2)s1 1643774757 YCDQQBNMPRCKKA-ZDUSSCGKSA-N 420.512 1.905 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)Nc2cccc(CC#N)n2)CCCC1 1644420109 IBLHSPVIYAKPHK-UHFFFAOYSA-N 403.464 1.982 30 10 HDEE CC(C)OCc1ccccc1CNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648503322 DIXNMTYLMSATOH-AZUAARDMSA-N 405.520 1.098 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1648503762 UUERGYBSJSJLEU-BLLLJJGKSA-N 412.309 1.566 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)c1 1653175885 QRNBORLBORJSCY-SFHVURJKSA-N 421.563 1.540 30 10 HDEE C[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCN1S(C)(=O)=O 1654237361 WJYGTNZQRAXYLJ-CQSZACIVSA-N 417.453 1.139 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)cn1 1659716760 RXZWKRQYUQVCBW-MRXNPFEDSA-N 400.870 1.778 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1 1665590411 OOUTXMAEPPPHLD-TXDAXLQXSA-N 408.520 1.853 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1666004956 JENUUCSEVZPYOD-IBGZPJMESA-N 423.535 1.076 30 10 HDEE C=CCCS(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1666236900 AMPQTLRYVMMAKB-AWEZNQCLSA-N 402.513 1.815 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC2CCN(CCS(C)(=O)=O)CC2)cc1 1667095540 MOYLNZBMZZCJOO-UHFFFAOYSA-N 400.566 1.593 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1)C(=O)OCC 1670885819 CXZMAMOJZZSTTM-AWEZNQCLSA-N 403.888 1.603 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OCC 1671199934 YFAOTPWMXHLKSJ-LLVKDONJSA-N 400.409 1.542 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1675150358 BJJQJHXDCTUXNT-UHFFFAOYSA-N 419.547 1.921 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@@H]1CCCO1 1677846168 YLCBXMCOHSMDSQ-ZBFHGGJFSA-N 421.400 1.990 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1680700558 QXODXMLDPSQUHP-CXAGYDPISA-N 421.498 1.987 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 1684798027 ZCNNPXFHKBDJRT-GOSISDBHSA-N 415.538 1.579 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1686083885 FFAQWAWZLJBCBC-PDOICOKGSA-N 413.522 1.851 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCN(C(C)C)CC1 1689956898 JCNKAZZBXXKEEG-UHFFFAOYSA-N 411.506 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)cc1 1689998141 CNBLAEJMEDBXLU-UHFFFAOYSA-N 404.474 1.594 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCO2 1690102973 ZAHRJOMCCHUZLL-SFHVURJKSA-N 409.490 1.689 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@@H]2C[C@@H]2C)CC1 1690138118 SHMKGDLJNZGUGP-XPIZARPCSA-N 401.511 1.477 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2CCOCC2)CC1 1690144311 UJTZSXFDJQPQCP-UHFFFAOYSA-N 409.494 1.128 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CC1)N(C)C 1690190015 JATARUZFLAPHLR-URLQWDBASA-N 408.572 1.221 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C)C1CC1 1690550397 VUOGBDZCHUNZSN-XOBRGWDASA-N 417.535 1.964 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(CC)Cc1ccc2c(c1)OCO2 1690669231 YOABJWUSOZXNLW-UHFFFAOYSA-N 421.461 1.793 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690672520 VEAANUVBJHDZRE-ROUUACIJSA-N 418.586 1.716 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693517578 ZJOVQOONIMDPCU-PXBNPBHZSA-N 408.462 1.691 30 10 HDEE CC[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1694444749 RFSRCPBVKHVINS-YJCBXQLOSA-N 422.493 1.888 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCSCCCO)CCO1 1698493429 LUMKPWHTDIFTGU-KRWDZBQOSA-N 405.499 1.852 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1705532434 AGCDLAHMXPHPOG-SFHVURJKSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CC(=O)N1CCOCC1 1705558327 SCJUHDKSLHCOMO-UHFFFAOYSA-N 415.519 1.507 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(C)CN(C2CC2)C1=O)[C@H]1CCS(=O)(=O)C1 1705560916 OKFTUYMKYAJHOW-JXFKEZNVSA-N 419.551 1.039 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1cnnn1C 1705630331 OZAGMFGBVZILSV-UHFFFAOYSA-N 404.478 1.613 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2cccc(C(=O)NC)c2)CC1 1705637708 JCZSCEPJSASHOQ-UHFFFAOYSA-N 417.517 1.447 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)CCN1CCOCC1 1705659445 WJQPABARXQPPAL-UHFFFAOYSA-N 400.552 1.783 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705662806 LWCBYCHFYHRFGZ-OAHLLOKOSA-N 407.565 1.500 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705915946 MOHNIKMRVQIROI-BBWFWOEESA-N 411.572 1.997 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)noc2C)C1 1705917270 VGFNXAYRTKQJIV-ZFWWWQNUSA-N 424.527 1.323 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1710066029 ASFQJFKBXJGZPU-FXAWDEMLSA-N 408.522 1.972 30 10 HDEE CCOCc1nnc(N2CCCC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710719383 LQVOVPFRAVXTLP-MJWGMMHASA-N 402.499 1.967 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722305605 BMTIEGRHQIWXIV-UHFFFAOYSA-N 420.521 1.813 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1722329192 CDBOHROIWGPJDC-INIZCTEOSA-N 402.524 1.532 30 10 HDEE C#CCCCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1722340763 HTHHLPHXLBDIDE-AVRDEDQJSA-N 415.538 1.935 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC=C)cc1 1722351984 MOAMXAOLOYGISF-QGZVFWFLSA-N 400.504 1.863 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1722358603 JNLDWLYCGZTVJG-KBPBESRZSA-N 402.467 1.452 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)OC 1722379616 VRFHLRZOJJZXST-UHFFFAOYSA-N 414.535 1.736 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCNC(=O)C2CC2)CC1 1722443251 QCRIFSNAISRLOL-UHFFFAOYSA-N 424.505 1.339 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1722523269 LGJTVKZHMMLPEP-MRXNPFEDSA-N 417.514 1.600 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722549795 AECYIQAVPLOBPN-CQSZACIVSA-N 407.906 1.320 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)CC1 1722574658 PIZRWKYNHOIEGT-AWEZNQCLSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H]1CCOC1 1722693205 GMQZUWWIKMTQLU-AWEZNQCLSA-N 400.439 1.628 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722699161 CPDVBNLEJKQNKL-WBVHZDCISA-N 412.469 1.025 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnn(C)n2)C1 1722720143 HGOSSMOGJWLXNK-KRWDZBQOSA-N 410.482 1.253 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1722728538 RGMIQFLQPAZHCL-HOTGVXAUSA-N 410.540 1.388 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCOCC(F)F 1723934021 WCHOXHIAIHUDMV-LBPRGKRZSA-N 420.486 1.300 30 10 HDEE CCN(CCCn1c([C@H]2CCCO2)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1728497837 GKAJALAHOUXPPC-RHSMWYFYSA-N 414.507 1.243 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1740550565 IXJASUWXAGEBPH-FUHWJXTLSA-N 424.530 1.872 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1740552993 PYSQBWFQJSZATN-IAGOWNOFSA-N 407.584 1.760 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1740675574 SAVCABYHRPLCTB-DLBZAZTESA-N 409.556 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cc(C)nn2C)CC1 1740709881 NFVAELRJIZVKRV-GOSISDBHSA-N 411.510 1.186 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740811216 OAKAYSFMRSBVTD-QGZVFWFLSA-N 424.977 1.915 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCOC2)CC1 1740835382 FIAVTKJQCPPMCV-SFTDATJTSA-N 406.527 1.873 30 10 HDEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1741539599 HXJGJZBYCGHYAS-LJQANCHMSA-N 403.508 1.459 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1747218641 AXJRXXXGXRMEJW-HZPDHXFCSA-N 420.514 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1748671287 IGHJPMSTNCCKPL-RDJZCZTQSA-N 400.479 1.668 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748887165 WFSXYMKNVWWXFM-KDURUIRLSA-N 407.522 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1F 1748892564 RFOAVJPGNCTYFI-QGZVFWFLSA-N 400.479 1.831 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F 1748892603 SLJUIKFCFPKFFI-AWEZNQCLSA-N 402.442 1.986 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cccc(C(N)=O)c2)n1 1748970807 SYBNQOJYVOQEAD-UHFFFAOYSA-N 407.478 1.216 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC)CC1 1748971637 XNVJDOKWDFBASY-UHFFFAOYSA-N 410.522 1.939 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OCC)CCCC2)CC1 1748990955 NILIHECCMKVFAB-QGZVFWFLSA-N 400.527 1.334 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1749209471 ZADZYPWCGLRCNK-RXVVDRJESA-N 405.543 1.665 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)CN(C)C)CC1 1749328981 FLFNQXDMVDAKMU-OAHLLOKOSA-N 412.604 1.879 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1749445559 RSADCPKWZCSXDB-HUUCEWRRSA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H]2C[C@H]1CO2 1749683498 VLQJSJLPVFBAFR-LISAXSMJSA-N 403.527 1.867 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H]1CSC 1749730819 RQRWPRQJXRWGBM-HNNXBMFYSA-N 410.569 1.611 30 10 HDEE N#CC1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)CC1 1750385426 MVKJYNYIDZROLA-UHFFFAOYSA-N 400.439 1.992 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCCOCC1 1750418182 JTRJXPWJZCOGGV-HTXNQAPBSA-N 409.450 1.093 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1760189734 VXYHDSIMZCCWCO-ZIAGYGMSSA-N 420.457 1.750 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1760281103 XSIPFVVQMMDIRA-HXUWFJFHSA-N 424.534 1.587 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1760361195 GWMIOTATRZGVMG-NHCUHLMSSA-N 422.526 1.519 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760431079 DHPHIMROENINCZ-INIZCTEOSA-N 400.527 1.975 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1760450494 MAMUVKCSEZFROH-GOSISDBHSA-N 413.526 1.881 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1760514893 NUUCHSJUGXNSQD-UHFFFAOYSA-N 405.524 1.744 30 10 HDEE C=CCSCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760563509 UKKQWYGJRKJLSN-INIZCTEOSA-N 405.499 1.955 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761369246 OBEYJVMAPAIILW-RDCVWBNRSA-N 415.498 1.162 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)C1 1769059640 IFRAFCULZOJDOK-HXUWFJFHSA-N 411.466 1.660 30 10 HDEE COCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769864865 RXBNAHVIHQAIPR-UHFFFAOYSA-N 408.466 1.321 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCC(F)F)CCN1C1CC1 1770748433 OLXFJGHRHQCJDF-LSDHHAIUSA-N 423.468 1.078 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CO2)nc1 1851290849 IXXJUPSCQJYYBB-AEFFLSMTSA-N 418.413 1.793 30 10 HDEE C=CCC(=O)N1C(=O)[C@H]2CCCN2c2ccc(S(=O)(=O)N3CCN(C)CC3)cc21 1851371436 GHFKJFVGGRUENF-QGZVFWFLSA-N 418.519 1.041 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccc(C)cc4)n3[nH]2)CC1=O 1852330824 MFYFITBPPVJUQU-JKSUJKDBSA-N 420.473 1.968 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccnc(O[C@H]4CCOC4)c3)CC2)nc1 1853020140 FIHTXDZTKVZKRD-IBGZPJMESA-N 423.473 1.495 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCCC[C@H]2CCN2CCOCC2)cc1 1853585738 DYMSABNLDOSQID-IBGZPJMESA-N 418.538 1.826 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3nc(C4CC4)no3)C2)CC1=O 1853679513 LZCIKKUERZNWEM-DOTOQJQBSA-N 401.511 1.794 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853884834 VPIBTWNLSIVDGB-RBUKOAKNSA-N 415.515 1.446 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@@H]3OCCc4ccccc43)C(=O)C2)cc1 1853888932 PHZSVHZBLSVFPJ-JOCHJYFZSA-N 403.438 1.726 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2cccc(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1854722523 MLZMLRKBZFXOSL-NSHDSACASA-N 403.382 1.161 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCCN([C@H]4CCOC4)CC3)CCC2=O)c1 1855270740 HYUUYUBOZDPAAL-CTNGQTDRSA-N 410.518 1.734 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855737213 BBEBQKWKPYGMOS-PWSUYJOCSA-N 421.372 1.597 30 10 HDEE COCc1nc(CCN2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2(C)C)no1 1856396467 VQQKBDUZFQUYHY-UHFFFAOYSA-N 411.462 1.702 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C(=O)C1 1856411944 MGBBBMMDJGQXAT-ZIAGYGMSSA-N 414.453 1.994 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C3CC3)on2)C1)[C@@H]1CCN(C)C1=O 1857066976 BPQKYWQKTFATCV-WMLDXEAASA-N 400.479 1.650 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1F 1857105627 CUUOWTAATFQKJB-ZDUSSCGKSA-N 416.434 1.295 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1857135291 QXQMBKSCKLFNKC-NVXWUHKLSA-N 411.849 1.896 30 10 HDEE Cc1cnc(N(C)[C@@H]2CCN([C@H]3CCN(C(=O)c4cccc(C#N)c4)C3=O)C2)nc1 1857155970 KYKUKTLXWXFUGT-MOPGFXCFSA-N 404.474 1.609 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3ncccc3n2)C1)[C@@H]1CCN(C)C1=O 1857236524 HRWKBNRMJRJXIT-HNAYVOBHSA-N 407.474 1.337 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)C2=O)CC1 1857267075 VCEIKCVLKDDUGZ-AWEZNQCLSA-N 411.430 1.660 30 10 HDEE CO[C@]1(C(F)(F)F)CCCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857277567 CRHDUPQBWPVSJJ-FZKQIMNGSA-N 410.396 1.985 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc(Cl)c2C)C1)[C@H]1CCN(C)C1=O 1857300148 YUFVKBZWPMNFIF-PBHICJAKSA-N 404.898 1.751 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nnc(C4CC4)s3)[C@H](C)C2=O)CC1=O 1857440895 TXJSLVSGDBBTBA-TZMCWYRMSA-N 403.508 1.009 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1858415483 FMWSQOWGFYWTTB-AWEZNQCLSA-N 410.455 1.702 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 1860736283 HCYLBSNNJGUIPX-XVNBXDOJSA-N 402.428 1.004 30 10 HDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2)C1=O 1863507262 HJCTYUBOCFBGRS-UHFFFAOYSA-N 415.446 1.529 30 10 HDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869930309 XDWDQMMGLRCDSZ-SFHVURJKSA-N 412.515 1.853 30 10 HDEE C#CCOc1cn(CCCN2CCCC2=O)c(CN2CCC(CO)CC2)cc1=O 1870558849 OPDYNUQPPZVHMR-UHFFFAOYSA-N 401.507 1.077 30 10 HDEE C=CCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596630 JFXWLTOBWWHADW-UHFFFAOYSA-N 414.510 1.815 30 10 HDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622598 VYGHMLHOTKLNJR-UHFFFAOYSA-N 413.526 1.923 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc(Cl)c2)[nH]1 1871649245 WPOVCNULPYJXKZ-UHFFFAOYSA-N 401.902 1.839 30 10 HDEE CN(C(=O)C1CCN(C(=O)c2ccccc2)CC1)C1CN(c2nccnc2C#N)C1 1890760538 PONUNIHKTIEYSF-UHFFFAOYSA-N 404.474 1.548 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(OC)cc2)C1 1890926456 HZSMLROQIDJLRI-UXHICEINSA-N 402.516 1.949 30 10 HDEE O=C(O)c1cc(S(=O)(=O)NCC#CBr)c(Br)s1 2021164342 FYACPUBCCDBBQA-UHFFFAOYSA-N 403.073 1.843 30 10 HDEE N#CC1(CS(=O)(=O)Nc2ccc(I)nn2)CCOCC1 2173026790 SNLOAITZFQJIFY-UHFFFAOYSA-N 408.221 1.143 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)N2CC(C#N)C2)C1(C)C 2174783993 JEGRZRQIRQUDHD-ZBSNKRKSSA-N 420.557 1.478 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)COC1(C)C 2174789961 XGWUQLOPLOJCAE-KGLIPLIRSA-N 402.517 1.428 30 10 HDEE C[C@@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)S(=O)(=O)CS(C)(=O)=O 2186589991 HJCMMUVYLWPHSR-NSHDSACASA-N 423.387 1.372 30 10 HDEE C#CCN(C(=O)[C@@]1(CNC(=O)OC(C)(C)C)CC1(F)F)[C@H]1CCS(=O)(=O)C1 2196488455 CCGRTRSSIQXCLV-LRDDRELGSA-N 406.451 1.185 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243673831 AXYCBDMMDZUZHD-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(OCc2ccccc2)C2CNC2)n1 2247907763 IGAKYNCLVONVRN-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248401750 NPIYAYGBAHOQMR-WFASDCNBSA-N 421.303 1.593 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2248404986 ODXNAYQVFWNMKM-HNNXBMFYSA-N 418.303 1.597 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4COC[C@H]43)cc2Cl)OC1(C)C 2267353176 JQZOBBMMQDXKCQ-MWLCHTKSSA-N 405.734 1.720 30 10 HDEE CS[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267707596 UEIITEDSEDPXRO-ZYHUDNBSSA-N 404.388 1.756 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2CC3(C2)OCCO3)c1 2281831353 WPCUBMKHXXEVSE-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE CN1CCO[C@H](CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281941690 XMQQNXWHRUMFKQ-LLVKDONJSA-N 400.737 1.761 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NCCS(=O)(=O)C(F)F 2281945814 UIFZBIOTHNYMDN-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCC[C@H]3N)c2)OC1(C)C 2282345806 RHMLUBTUZWPSTL-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE CCSCCCNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282513243 YOFRQMRJBGJDTA-UHFFFAOYSA-N 403.379 1.449 30 10 HDEE C[C@@H](CCO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282827637 BESQLFAGJQNANG-LBPRGKRZSA-N 403.737 1.936 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282834617 WUTDIKLXBYLEDF-VWLOTQADSA-N 421.777 1.638 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@](=O)[C@@H](C)C1 2282841656 PEXZZQHVOPUKAO-FTJNGKRUSA-N 419.399 1.497 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCCC[C@@H]2N)OC1(C)C 2282849792 GZANBHPTJHMZCQ-UONOGXRCSA-N 400.375 1.986 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1C 2282855946 LHWCTFFIAPTRPW-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282859714 POLHFGHCVMVXID-ZJWNCGCPSA-N 401.359 1.373 30 10 HDEE CON(C1CNC1)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282870577 UTPHMBVSBUMYRR-UHFFFAOYSA-N 402.347 1.188 30 10 HDEE CC1(C)[C@H](CN)C[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882807 RACJWOKAXMRRNA-SMDDNHRTSA-N 400.375 1.699 30 10 HDEE C[C@@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284394843 DISQGPAOQFLEDY-GHMZBOCLSA-N 401.315 1.531 30 10 HDEE C[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](F)C(=O)O 2284409636 LVCAKEZCGCULJG-BXKDBHETSA-N 407.294 1.384 30 10 HDEE CSCCN(CC(=O)O)C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2284493252 YQPZFOICTISMEP-UHFFFAOYSA-N 400.331 1.641 30 10 HDEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)CC2(C#N)CCC2)C1 2289500542 RCBWLERUODKSBJ-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE C#CCN(C[C@H](O)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2307984704 SMDCSEUKVUMSHY-NSHDSACASA-N 403.277 1.591 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CCOC)n1N=Cc1ccc(O)cc1O 2331236892 HTGONNWUALXSFZ-UHFFFAOYSA-N 407.496 1.721 30 10 HDEE CCc1csc(C#C[C@@H](O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363965312 SXPZBOMMECMXCV-HUUCEWRRSA-N 414.549 1.842 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CCO[C@H]1CN(C(=O)OC(C)(C)C)C2 2365207188 MBDIKBDYYUETRU-VCBZYWHSSA-N 400.541 1.427 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797367 UWWNVVOKRDBNGB-ACJLOTCBSA-N 401.481 1.294 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367834111 OXNLNANWAOEMMW-VKJFTORMSA-N 402.557 1.585 30 10 HDEE Cc1scc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369535963 HNCISPXUPBKHRA-LLVKDONJSA-N 401.359 1.861 30 10 HDEE C#Cc1c(F)cc(NC(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1F 2370307992 ROWGCGOKKAGARV-AWEZNQCLSA-N 402.419 1.823 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)ccc1F 46425482 BOCRZNTWVAWMAI-OAHLLOKOSA-N 419.482 1.479 30 10 HDEE CC[C@@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1OCC(=O)N1CCCC1 409473212 BHVPCQQKNMCQDV-DOTOQJQBSA-N 410.478 1.979 30 10 HDEE C[C@H](C(=O)NC1CCC(Oc2ncccc2C#N)CC1)S(=O)(=O)C1CCOCC1 438601667 BHNRUENJPZOWTG-ODIFPOPNSA-N 421.519 1.742 30 10 HDEE CNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 439243361 DWSYHCKYDJEJIX-ZDUSSCGKSA-N 414.443 1.838 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)c1 447759391 RUVXMNAHUONPBF-QFIPXVFZSA-N 404.426 1.951 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cn(C)nc3C(F)(F)F)CC2)c1C#N 472083277 LGYRHASUHBQKGL-UHFFFAOYSA-N 410.404 1.384 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)c1 476216159 IBNRTCACAKVUHZ-FQEVSTJZSA-N 412.490 1.891 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCO2 480438328 BFBDUHCMBIZTNG-QWHCGFSZSA-N 401.444 1.831 30 10 HDEE N#CC1(NC(=O)c2ccnc3c(C(N)=O)cnn23)CCN(Cc2ccccc2)CC1 482584631 WAGPQDHOGVGAPP-UHFFFAOYSA-N 403.446 1.116 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N[C@H](CCCC#N)c2ccccc2)n(C)c1=O 487423166 ZEZWFZWWMAHWKI-MRXNPFEDSA-N 408.462 1.375 30 10 HDEE Cc1noc(C)c1CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 502200856 XTQWGGKFRDJXKN-UHFFFAOYSA-N 417.491 1.422 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 503476441 IMGSURXRLZZCIY-CQSZACIVSA-N 424.954 1.965 30 10 HDEE CCCS(=O)(=O)NC1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 504092825 ITBPTJQILSZEOG-SFHVURJKSA-N 401.529 1.568 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCC(C)(C#N)CC3)CC2)cc1 507842676 YHLZDNVWPZFUQY-UHFFFAOYSA-N 404.536 1.454 30 10 HDEE COc1cc(Br)ccc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C)c1=O 513739145 FAOLZBLRGRNMIR-UHFFFAOYSA-N 421.316 1.946 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)cs1 515697181 AJDGUEVADMMPKZ-CQSZACIVSA-N 403.529 1.582 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(C#N)cc2)CC1 523004455 GOUVRTIBFJOLQY-UHFFFAOYSA-N 413.503 1.498 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 540505710 SNWROXVZSVPSPQ-UHFFFAOYSA-N 409.465 1.887 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC(C)C 541800769 NDJANYQQQYHKNU-UHFFFAOYSA-N 400.460 1.032 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545464056 PJTAZPQXEKIEBG-UHFFFAOYSA-N 423.498 1.993 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 558983877 DFHDQAARTGJMDD-LJQANCHMSA-N 406.575 1.622 30 10 HDEE CC(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 559085491 IVFPRZMDEQMRPM-UHFFFAOYSA-N 418.505 1.893 30 10 HDEE COc1ccc([C@@H](CNS(=O)(=O)CC2(C#N)CCC2)N2CCOCC2)cc1OC 566729935 XKZNTEGHMNDRNT-QGZVFWFLSA-N 423.535 1.690 30 10 HDEE COCCn1nc2n(c1=O)CCC1(CC2)CCN(C(=O)c2ccc(C#N)cc2)CC1 581799698 LJIWOVHXJMNXEQ-UHFFFAOYSA-N 409.490 1.822 30 10 HDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCCc1ccc(F)cc1 585673647 NDKUVQKMVDZAEL-BCBJWTNWSA-N 410.405 1.558 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)c2C(N)=O)C1 586297913 AHAVUQFRPGMMFL-GFRLJBLXSA-N 424.548 1.031 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)c(F)c1 587862116 IROIBDCSJDEDHZ-YJBOKZPZSA-N 400.454 1.420 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@H](C)C2)CC1 605409702 RAZDOZHLPVFJIF-HDICACEKSA-N 415.538 1.752 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)cc1 646493449 NEBYLSZTUMTNHE-UHFFFAOYSA-N 417.535 1.891 30 10 HDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670211038 KKYRSLOFCRXURZ-YLJYHZDGSA-N 411.554 1.849 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](OCC)C1 670220359 XKKZJGWSCCCPBH-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 717734068 VSMSWJSVBFKJTF-QMMMGPOBSA-N 412.103 1.456 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 718813489 GMASDPRJTHLEBF-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCS(=O)(=O)[C@H](C)C2)cc1OC 737873299 SSPAFRVSJFKLLL-OAHLLOKOSA-N 412.508 1.870 30 10 HDEE CC[S@](=O)CCNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 741420165 YBWFZBQWVKMSGM-NDEPHWFRSA-N 406.487 1.466 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1cccc(C#N)c1)C2=O 746530147 GEQGAKKIJWNQEV-UHFFFAOYSA-N 412.446 1.218 30 10 HDEE N#Cc1ccsc1N1CC[C@@H](OC(=O)Cn2c(O)nc3ccccc3c2=O)C1=O 751647756 MZOYDVUJOIHCHL-CQSZACIVSA-N 410.411 1.384 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc2c(cc1OC(F)F)OCO2 757205925 FJCAYNUHZOZSMV-NXVVXOECSA-N 424.360 1.342 30 10 HDEE O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCO 757485874 NVDZOWJIGDCSLD-HXUWFJFHSA-N 422.437 1.480 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCCCC1 760387675 FJMSZKMVTTZEGV-HUUCEWRRSA-N 409.508 1.472 30 10 HDEE COCc1cncc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 765591014 PPXJOYXHCYKYQW-LJQANCHMSA-N 423.429 1.807 30 10 HDEE C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[S@](C)=O 765945843 QTQFFWGXTQDPJW-IOYKTKKVSA-N 414.553 1.778 30 10 HDEE COc1ccc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 766280507 SVEWTOWVMUEZRJ-CYBMUJFWSA-N 404.444 1.986 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@]4(CCOC4)C3)nc12 768897750 BLMSIGJQMRBREE-HXUWFJFHSA-N 413.503 1.815 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 773569943 UALXNDXFIQXHAU-WBVHZDCISA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1OC(C)C)[C@H]1CCS(=O)(=O)C1 774040015 OVRBPIDGGLBOMI-HNNXBMFYSA-N 408.476 1.915 30 10 HDEE C#CCN(C(=O)NCCCNc1ccc(C(F)(F)F)cn1)[C@H]1CCS(=O)(=O)C1 774168065 KAKCLJMCTPKOPX-AWEZNQCLSA-N 418.441 1.734 30 10 HDEE CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780923385 RSWDNULISGREGU-INIZCTEOSA-N 403.236 1.846 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C1 783305662 YOHUEIHGBCLOFP-CYBMUJFWSA-N 413.462 1.420 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)NCC3CCN(CC#N)CC3)c2C1 783652175 WMQXXSVJXMBXGL-UHFFFAOYSA-N 402.499 1.668 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2ccccc2)OC[C@@H]1C)c1cc[nH]n1 789971592 RTMKYNNITXDULK-WMLDXEAASA-N 400.435 1.682 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc1OC 794084599 BOPMHXKOSZXJAG-CSKARUKUSA-N 423.535 1.614 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2)CCN1C1CC1 802124378 LNZJXROXERCBCC-IBGZPJMESA-N 405.506 1.739 30 10 HDEE C#CCN(Cc1nc2cc(C(=O)OCC)ccc2n1CC)[C@@H]1CCS(=O)(=O)C1 808736011 FQTVATPYSPIEML-MRXNPFEDSA-N 403.504 1.855 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)ccc1C#N 810867776 DOQKUGBULGHNBZ-QFIPXVFZSA-N 404.426 1.577 30 10 HDEE C#CCN(c1nnc([C@@H]2COCCO2)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 812048270 MSKGGEYBFMFFSZ-ROUUACIJSA-N 416.503 1.041 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 918756495 UUISPBNKPXRGAL-INIZCTEOSA-N 401.463 1.763 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 1117626137 KJEXXEBGICFWGR-RZUBCFFCSA-N 401.530 1.853 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OCC 1133157870 UGXKGTFSIFIITQ-ZDUSSCGKSA-N 403.391 1.876 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 1136198197 JGQOCIAPNJUHBA-KRWDZBQOSA-N 400.479 1.868 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C 1140471738 PMAQOMKAUZOCQM-UXHICEINSA-N 416.478 1.399 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)C1(CO)CCC1)c1cc[nH]n1 1143509182 HDCPTOWKNXRPSQ-IBGZPJMESA-N 414.462 1.714 30 10 HDEE C#CCN(CC(=O)N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1)C(=O)OC(C)(C)C 1144496623 AWIADPLLNSFYJV-KRWDZBQOSA-N 420.554 1.448 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@H]([S@](=O)CC)C2)s1 1148820881 XIXGNMLKQRTJPN-FTTUWVIBSA-N 418.606 1.951 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(Nc4nn[nH]n4)c3)C2=O)cc1 1156591231 CAIZDCHEUQJFOR-KRWDZBQOSA-N 402.418 1.346 30 10 HDEE C#CCn1cc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)cn1 1156662074 VPAQYDFPVUZFDH-QFIPXVFZSA-N 405.458 1.522 30 10 HDEE CCC(CC)N1C[C@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1=O 1161796714 CCXLLBOTWOZEDT-CQSZACIVSA-N 401.463 1.928 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1[N+](=O)[O-] 1168643401 VOGRNAQJPMTCNV-UHFFFAOYSA-N 409.402 1.528 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 1168652612 FOTRUHCQZRQEEE-GUYCJALGSA-N 401.492 1.568 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 1168767056 YJUGOKWNRZLMGL-INIZCTEOSA-N 413.540 1.177 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC2(CC1)C[C@H](O)CNC2=O 1176727528 HLLOXHKSJAPELT-CVEARBPZSA-N 416.547 1.982 30 10 HDEE CCN(CCC(=O)NC)CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1198362392 BAJPFWQQEXBUQC-MRXNPFEDSA-N 415.538 1.814 30 10 HDEE C[C@H](C#N)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1233951537 FHYBXHLJLAMMLW-ZWNOBZJWSA-N 412.231 1.633 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1265907677 YSEZPOHXXTUQPB-UHFFFAOYSA-N 424.505 1.900 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1286395056 YSGKVUWVKVJZOZ-NSHGMRRFSA-N 418.563 1.839 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1286627204 ASMZYCUPPGLTNN-CYBMUJFWSA-N 420.861 1.928 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1286716645 JMUDZTVBJCPRNZ-FQEVSTJZSA-N 410.482 1.576 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)CC2)nnc1[C@]1(OCC)CCOC1 1286793028 PHVIBNXRGXFGQB-RTWAWAEBSA-N 421.542 1.628 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)CCC(=O)NC 1286796661 UWBOMURRFWIXNY-UHFFFAOYSA-N 409.494 1.864 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1286839999 AHAQXMWHXRMUJJ-FQEVSTJZSA-N 424.505 1.679 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1289511217 DPMHLENWHILQJY-QMTMVMCOSA-N 413.540 1.857 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)n1 1290629578 TUSFDCJDKZPYPO-RBUKOAKNSA-N 403.462 1.387 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)(F)F 1290873451 DIERACNAPHKYAW-UHFFFAOYSA-N 421.427 1.459 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCCN(c2cc(CC)ncn2)C1)C(=O)OC(C)(C)C 1293104104 ZMMZCUSSVMXMRL-QGZVFWFLSA-N 401.511 1.994 30 10 HDEE Cc1cc(C(=O)NC2(C#N)CCOCC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1293574035 CDUIAWAOWODSFS-UHFFFAOYSA-N 416.503 1.603 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3cccc(C#CCO)c3)C2=O)c1 1294462567 KGCVTKSQKAIBBY-NRFANRHFSA-N 408.454 1.925 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccc2C)nnc1N1CCO[C@H](C#N)C1 1297759273 DBJLOXUWRNJRJI-MRXNPFEDSA-N 418.523 1.312 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOc2cncc(Cl)c2)s1 1297762893 RZYZWUIPAMVSND-UHFFFAOYSA-N 415.924 1.999 30 10 HDEE N#CCSCC(=O)N1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1299257095 QUZLQTREQMIBED-SGTQZHETSA-N 403.548 1.754 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2CCCOCC2)CC1 1299463813 CEMBFPRWILNHAR-RTJUMIHMSA-N 400.519 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1300284688 VJEAWSKEWKBFEL-GDBMZVCRSA-N 423.514 1.638 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1300308814 QGKRNVFYOFBBPG-FTRWYGJKSA-N 402.520 1.546 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCNC(C)=O 1300458497 IQEGACATYLTOOK-UHFFFAOYSA-N 418.542 1.988 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1300495080 CLDNQNAZRLIRLF-JKSUJKDBSA-N 420.560 1.909 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](OC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1300497390 AYVXAFYBKHAFKG-MSOLQXFVSA-N 402.520 1.855 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCO[C@H](C(=O)NC)C1 1300885671 RSPNUGALZXJSOC-BZSNNMDCSA-N 403.527 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)CC1 1300894622 FTSDYCTWSDDELO-XSLAGTTESA-N 424.567 1.552 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@@H](C)O1 1301360900 MODTWLZHLJJGDQ-AYOQOUSVSA-N 413.478 1.472 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301585271 KCJYNUITLIGNCN-QGZVFWFLSA-N 421.567 1.499 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@@H]1c1cnn(C)c1 1303544646 TUWUPGFTGWICOT-HNAYVOBHSA-N 400.504 1.859 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1303730834 DTXFUSOUSASYIE-ZWKOTPCHSA-N 422.537 1.976 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1303935818 XQLALKNDLNLVAT-UTKZUKDTSA-N 416.526 1.945 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(CCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1304002224 NPWCFJVOBVILKL-ZJOUEHCJSA-N 401.532 1.338 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1309575004 FITRZAUAVPJTCA-LBPRGKRZSA-N 402.266 1.649 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CC1 1311769518 PQKOCCZMELNRDI-UHFFFAOYSA-N 406.552 1.411 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1314109928 BSTOJNLYRDTUKX-MAODMQOUSA-N 419.526 1.600 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1314805288 ARBDSSZLPGQPTE-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C#N)o2)cc1 1316533314 LNTGOGJYXQLRHT-LJQANCHMSA-N 415.413 1.971 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)F)CCN1C1CC1 1316540006 SNLODKZOWYHBLH-GDBMZVCRSA-N 410.469 1.978 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@@H]2CO)CCO1 1316540081 UBIGWQGQBXBALA-WOJBJXKFSA-N 410.522 1.911 30 10 HDEE N#CC1(CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCOCC1 1355265669 JBKDSCXDWZTQHO-UHFFFAOYSA-N 414.506 1.674 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(CS(C)(=O)=O)CC1 1358870689 RCYDSTKAFFHUAE-CQSZACIVSA-N 409.556 1.479 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964299 XCRJOMZTYZSHFM-PXNSSMCTSA-N 408.568 1.799 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1359297888 GENZFEMJLJGUPQ-UHFFFAOYSA-N 415.498 1.633 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(CC(F)(F)F)CC1 1359306610 LULZIVBFFCYJPD-CQSZACIVSA-N 416.448 1.506 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N(C)C)C1 1359317201 DONBZKBKVRGCRY-OAHLLOKOSA-N 406.512 1.013 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1359345727 OMEXQBCLBGCQNH-MRXNPFEDSA-N 403.556 1.761 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccc(OC)n3)CC2)c1 1442728327 NMHKCIFUPDIXNI-UHFFFAOYSA-N 414.487 1.245 30 10 HDEE CN(CCCNC(=O)c1cccc(CNc2ncccc2C#N)c1)S(C)(=O)=O 1453333428 KGTUNLHAEGWIGR-UHFFFAOYSA-N 401.492 1.577 30 10 HDEE C[C@H](CC(=O)NC[C@]12OCCC[C@H]1C2(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1453563107 LVVNLEFMARYXKV-ZLENFMNRSA-N 413.446 1.434 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1456227894 QHBRHTOVEWWKCH-QGZVFWFLSA-N 413.522 1.735 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)c1 1456233873 LCOVETRYSQVASW-HSZRJFAPSA-N 407.470 1.656 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)cc1 1457275869 KYOISDLIFTUVFL-UHFFFAOYSA-N 424.486 1.567 30 10 HDEE N#Cc1ccc2c(c1)CCCN2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1460300726 CMTXIHJOKXXBOM-UHFFFAOYSA-N 401.444 1.765 30 10 HDEE N#CCCN(C(=O)CCC(=O)NC[C@]12COCCN1C(=O)OC2)c1ccccc1 1462299849 UGEWINNJXCAOPL-HXUWFJFHSA-N 400.435 1.051 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1471125635 SUEGTZMXZRLXHW-BFUOFWGJSA-N 400.447 1.586 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H]1CC(=O)N(C)C1 1471913155 JPMMYWWZISZQNQ-HOCLYGCPSA-N 420.535 1.269 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)C3(C#N)CCSCC3)CC2=O)C1 1472250239 UVTYXIKCMZXUOU-CYBMUJFWSA-N 408.524 1.360 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H]([C@H]2CCCO2)C1 1473820216 ZTPMNUJSBOLGLI-IYWMVGAKSA-N 420.554 1.111 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2 1478284697 NIEHIOBIFKUKFC-KBXCAEBGSA-N 401.529 1.819 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCn2ncc(I)c2C1 1478552197 AWHQYODNPQHMRD-FZMZJTMJSA-N 416.263 1.994 30 10 HDEE C#CCN(C(=O)N[C@H]1CS(=O)(=O)C[C@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1479375313 WYBDEHMYWPYLFF-ZBFHGGJFSA-N 413.540 1.464 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1507523589 NGNPAFRQIRPAOW-MRXNPFEDSA-N 423.550 1.428 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507632686 PBUPGWUVCASIJD-UONOGXRCSA-N 402.467 1.454 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1507664977 XIZLWANKLCAUIS-UHFFFAOYSA-N 414.391 1.958 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1508095878 YKCUXGCANMURBD-UHFFFAOYSA-N 417.535 1.573 30 10 HDEE Cc1ccc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1510927865 QFBMSKSVUIKYPF-WIYYLYMNSA-N 412.494 1.799 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1512285130 FFOFVYSUEZOSIK-QEEYODRMSA-N 415.519 1.601 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1514410672 POZUFWCKDFMCSV-WMLDXEAASA-N 414.507 1.243 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)cc2)CCO1 1521138007 WZGWGURDXCGGSZ-KRWDZBQOSA-N 408.487 1.806 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1530086855 QWBBLDQNSKQCGA-INIZCTEOSA-N 405.520 1.259 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1532775531 QUNWTOJVOTYLPA-CQSZACIVSA-N 408.296 1.570 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C[C@H]1CS(=O)(=O)C2 1536179661 LBURBPDTTBJYFR-QFYYESIMSA-N 413.286 1.580 30 10 HDEE C=CCn1cc2ccc(NC(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)cc2n1 1536229866 NBRQZOXWVXSGEK-UHFFFAOYSA-N 404.430 1.729 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@@H](C)CC2 1539149243 RDDVODBJHHVLFR-STQMWFEESA-N 422.580 1.587 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC1(O)CCOCC1 1539272834 DCIUPOXAARYVHM-UHFFFAOYSA-N 408.502 1.686 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC(=O)NCc1ccco1 1539286194 ZQOZUBNFFNEKEO-UHFFFAOYSA-N 408.487 1.616 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOC)C1 1539626900 HAWADMGUJUVEHT-LNLFQRSKSA-N 414.510 1.958 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(C)=O)CC1 1539630200 ZKRMFDYJQJADCP-VQIMIIECSA-N 411.510 1.821 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1539998604 LUJBRSFARVVCAD-QGZVFWFLSA-N 411.572 1.904 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540021007 ZACIWESSNGGLNJ-QZTJIDSGSA-N 402.543 1.780 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1540173900 DKBISYLWSIFIGR-INIZCTEOSA-N 407.540 1.546 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1540891925 BVPJLVZUNDDQAO-JKSUJKDBSA-N 410.540 1.267 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC(O)CC2)C1 1540892882 SPCFKCCCNUXFAK-HKUYNNGSSA-N 405.543 1.410 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1540901747 NSWAYNULBNWQDR-INIZCTEOSA-N 409.556 1.641 30 10 HDEE CC(C)OCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541756806 CYUWXDCFHXYQEP-SFHVURJKSA-N 415.542 1.392 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCOC(F)F 1541922727 NEOZFJPKBNJUFA-GFCCVEGCSA-N 420.486 1.648 30 10 HDEE COCCN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1542377858 OVPSQYCKFXHEBC-DKTYTTGXSA-N 420.554 1.954 30 10 HDEE CC(C)c1nnc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1544640430 LWBHXXIWRIXPNM-AGLAPXLDSA-N 414.510 1.932 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O 1554284987 UJMSNUBKFXTBRB-UHFFFAOYSA-N 405.524 1.849 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1555958343 BSKUUWXKMUXSMJ-JSVDUPIDSA-N 400.483 1.371 30 10 HDEE C=CCN(C(=O)CS(=O)(=O)NC(C)(C)C)[C@H](Cc1ccccc1)C(=O)OCC 1556204884 GYGBBPJYCKZNBY-QGZVFWFLSA-N 410.536 1.893 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(I)cc1N)C(=O)OC 1556375457 JNFKELKJQKLMDI-LBPRGKRZSA-N 404.204 1.347 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1557538529 DOPFUCMRTZZSRN-GOSISDBHSA-N 405.520 1.787 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 1557935214 OCPBYTQNSBOJHP-UHFFFAOYSA-N 403.508 1.866 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc3c2NC(=O)CO3)s1 1558070892 ZEFFCEKPSMKOOR-UHFFFAOYSA-N 407.473 1.725 30 10 HDEE CN(Cc1nnc2n1C[C@H](C(F)(F)F)CC2)S(=O)(=O)c1cccnc1C#N 1561923876 FQCJXEOZEJCMEP-SNVBAGLBSA-N 400.386 1.490 30 10 HDEE CCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nn[nH]n1 1566226979 IJOZEHBXEMBKHX-IXVUQVCVSA-N 403.487 1.944 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1S(=O)(=O)Nc1ccc(F)cc1 1569560496 JEQXIGTUHIWZLK-OAHLLOKOSA-N 407.423 1.655 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1587625842 CPLPGXLJHHSALH-BBRMVZONSA-N 401.492 1.139 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCS1(=O)=O 1588012155 YKZZRGFDUVQYGR-GOSISDBHSA-N 413.503 1.765 30 10 HDEE Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nnn1Cc1ccncc1 1588090529 HZTZTUBYKMSKAW-QGZVFWFLSA-N 401.430 1.893 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1588293065 LRMQEENINBBGSN-UHFFFAOYSA-N 405.480 1.073 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(COC)CCCCC1 1588637243 BWNQYOXYUUAJMB-KRWDZBQOSA-N 403.527 1.912 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnc(C)s2)CC1 1588750814 FYBFDFBCOIWAFZ-HXUWFJFHSA-N 416.551 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CCCS2)CC1 1588751811 NKBIVQAXWHKJFN-NHCUHLMSSA-N 419.595 1.971 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1593735524 JKDPJEPWHHYUAX-ROUUACIJSA-N 400.483 1.712 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1593735535 JSUKFVKDAHCBKN-CVEARBPZSA-N 401.471 1.206 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cnn(C)c2)CC1 1594013736 JTUFKEFSWYAMJT-OAHLLOKOSA-N 407.544 1.411 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2oc(CC)nc2C)CC1 1594014631 UEWANQVLONYISJ-AWEZNQCLSA-N 408.528 1.952 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1595467686 YJWAMUHYATZVRD-FQEVSTJZSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1595500742 DMKRFMMATDPPAA-UHFFFAOYSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1595516773 IKLYUQZZHMNHOX-MRXNPFEDSA-N 403.508 1.261 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCSC2)C1 1595673562 IAVMFVVKWFPPAI-QLFBSQMISA-N 415.585 1.423 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595838505 VGYGFKXUMSGACW-AWEZNQCLSA-N 413.569 1.057 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1595884947 XKTIWIFYZMRQCG-UHFFFAOYSA-N 422.599 1.569 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CCO2)cc1 1611670902 BILUQAISJRENBW-HBMCJLEFSA-N 409.486 1.899 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(F)(F)CC2)n1Cc1ccc(C#N)o1 1611686391 GCJVSYPZQXNENR-NSHDSACASA-N 414.438 1.637 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nnn(C)n2)c1 1611923668 HXPFWQADRHIRBC-IBGZPJMESA-N 411.445 1.488 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](C(=O)OC(C)(C)C)c2cccc(C)c2)C1=O 1616262192 HFJCQLONGMLYHU-MRXNPFEDSA-N 415.446 1.471 30 10 HDEE CN(CCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1618243669 RPWRJOMFHUSWRU-UONOGXRCSA-N 402.421 1.743 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1620095114 PSGSJCWYRYRPDK-IKGGRYGDSA-N 423.539 1.177 30 10 HDEE C#CCOc1ccc(Br)cc1CNC[C@]12COCCN1C(=O)COC2 1621035452 UAHRGCSCUFZKEB-GOSISDBHSA-N 409.280 1.179 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1622295051 JDFCPIFAPZFUGE-QZTJIDSGSA-N 420.554 1.448 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)CC3(C#N)CCCCC3)ncnc1-2 1628476079 NMOTUMFQPXSPJQ-UHFFFAOYSA-N 420.315 1.892 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1)C(=O)OC(C)(C)C 1628958491 GWQTYUPQSNQCIC-UHFFFAOYSA-N 403.435 1.398 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](CCCO)C1 1629834514 HWRLYUINIUSBBK-WBVHZDCISA-N 407.536 1.905 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](Cn2cncn2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1639509779 GXEXYBKMVPYLLH-IFXJQAMLSA-N 407.471 1.282 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)nn1 1639561187 GXHWIMBEGVBZEX-HDICACEKSA-N 406.446 1.672 30 10 HDEE NS(=O)(=O)c1ccc(Br)c(C(=O)NCC#C[C@@H]2CCCCO2)c1 1640374152 FAYMTWWFMMEKCH-NSHDSACASA-N 401.282 1.399 30 10 HDEE Cc1cc(C(=O)N2CCC(n3nncc3I)CC2)ncc1C#N 1640511952 SNSMMTUTYPBWCH-UHFFFAOYSA-N 422.230 1.935 30 10 HDEE CC(C)(C)c1noc(-c2ccccc2C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)n1 1640636321 BGNYZAJSGQNGAT-UHFFFAOYSA-N 420.429 1.865 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)c2cc(Cl)ccc2OC)cc1 1640641813 XHBCXBHAOHOAAH-QGZVFWFLSA-N 422.890 1.724 30 10 HDEE CN1CCC(N(C[C@@H]2C[C@H]3C=C[C@H]2C3)C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1641792752 HPZLIQNRICRTRK-ULQDDVLXSA-N 411.506 1.346 30 10 HDEE CC(C)c1n[nH]c(CC2CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 1646556805 NZEQVGZIVLQVBQ-IBGZPJMESA-N 415.586 1.875 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2CCC(F)(F)F)CC1 1668002737 FRJVZFZWWOSVEV-UHFFFAOYSA-N 418.441 1.799 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 1670603607 ODIRVYHNRKCVBW-KRWDZBQOSA-N 400.460 1.599 30 10 HDEE COC[C@]1(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)OCCc2ccccc21 1683024158 DQFPXFATIYSHOL-NRFANRHFSA-N 401.463 1.589 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1684425033 JGKOCADFVJWTAU-IBGZPJMESA-N 400.523 1.998 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1684819272 ZWEAXNQBQIRPRH-MJGOQNOKSA-N 420.535 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1686403091 OJNCBPHMRCNSQM-JKSUJKDBSA-N 407.515 1.695 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1689833395 JJFXRMHHMNAJLK-LLVKDONJSA-N 403.288 1.681 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1690015583 RJWHJEWABAGLDE-CVEARBPZSA-N 414.510 1.557 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1690104066 LPJSKFHFCSKTNY-XBBWARJSSA-N 416.547 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CC(C)(C)O)CC1 1690150317 CKZBDHZKAOQATF-UHFFFAOYSA-N 401.536 1.667 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1690154789 ZSQHQYJVUHEYQG-IXDOHACOSA-N 403.552 1.742 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1690669293 ADYZIURHFVYDLL-NVXWUHKLSA-N 424.505 1.534 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)C1 1690696466 CHRLYDSPBFCQHM-IAGOWNOFSA-N 416.526 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690723032 FNRVXKNOVGOBAQ-UHFFFAOYSA-N 422.555 1.094 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1690731592 NCOCZUUZSOBDNR-IAGOWNOFSA-N 421.567 1.818 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCCN1CCCCC1 1692544929 PPNJDTHLQFIEEU-GOSISDBHSA-N 417.558 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCNC(=O)C1CC1 1698128866 HQCKPHOYFARCPR-OAHLLOKOSA-N 404.515 1.658 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1705477412 NRXBFWFONZYHBO-ZIAGYGMSSA-N 423.514 1.737 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCCC)CC1 1705643199 VXXQQBORWNAILI-UHFFFAOYSA-N 414.485 1.278 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCC(NC(=O)COC)CC1 1705662467 ZOBIQKJNBCAYBZ-UHFFFAOYSA-N 407.584 1.965 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1705827414 DPLWNLZMRRQJBN-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705828223 GUQDEOVRLJBWDI-UZLBHIALSA-N 400.483 1.712 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1705893817 HILGODOWZSYKIU-OKYOBFRVSA-N 405.543 1.735 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(Cc2ccc(F)cc2)CC1 1705904327 MJMPIQCNDOILCA-UHFFFAOYSA-N 400.502 1.994 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)CCC(F)(F)F 1705937796 FGMWWKVKNWEBMK-UHFFFAOYSA-N 423.461 1.390 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1C(C)(C)C 1705938997 PCFPDYIOCJIVRF-UHFFFAOYSA-N 423.583 1.625 30 10 HDEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1711850277 HWPABVMQIYNQIW-QGZVFWFLSA-N 421.461 1.453 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1712184050 VOINVCZRFGMPNO-JKSUJKDBSA-N 416.457 1.415 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CCO1 1712885130 ZVTKVCNXRZYNSO-QZTJIDSGSA-N 415.542 1.614 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1712885256 FINKWYGEQRLCBM-HZPDHXFCSA-N 420.539 1.184 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(=O)(=O)NC 1722285931 ADEPUZNHCOIUIK-AWEZNQCLSA-N 421.523 1.360 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722298083 UWDJKORTSQXWIY-ZBFHGGJFSA-N 407.565 1.670 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722301384 XNXBAUMJMVZTGH-MVZUJROASA-N 405.462 1.248 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2cncn2)CC1 1722306163 HAGGVPPBHDPYTH-UHFFFAOYSA-N 410.526 1.826 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1722365915 GHAPPXKLXFMLKE-QZTJIDSGSA-N 413.547 1.982 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722369227 WIXFSYXHMGTCTC-KSZLIROESA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1722370010 JZKDQAUWRDSQKY-KRWDZBQOSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(=O)NC)c1 1722371022 QTSTXJDORKOPPT-UHFFFAOYSA-N 420.517 1.677 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)CC 1722382726 JMDVEDIKDMHZQQ-JOCHJYFZSA-N 407.522 1.686 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCC2)CC1 1722443706 ZWCXFMSZDYVVTF-UHFFFAOYSA-N 423.517 1.835 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1722452774 WPYRVKPHXYFPQC-LLVKDONJSA-N 413.491 1.643 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722457946 UWRGTHGZRBYWJQ-KRWDZBQOSA-N 415.567 1.204 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722677809 OCEUMCAWSNTYDE-FXAWDEMLSA-N 402.499 1.656 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(C)=O)nc1 1722679696 JLEFDTFCNCWXRN-UHFFFAOYSA-N 408.466 1.776 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)N(C)C)C1 1722716236 XAVUMJDMZRHLSI-GJZGRUSLSA-N 402.499 1.737 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)C1 1722718539 LCFXOMURZDCYCM-GPMSIDNRSA-N 410.540 1.531 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1722815827 QYMRUVPWXBGLJK-GCJKJVERSA-N 421.505 1.400 30 10 HDEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@H]21 1724017273 FSMQHALRMYGZBB-CALCHBBNSA-N 415.519 1.866 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)n1 1726137328 GUTKNTZTWZFING-SFHVURJKSA-N 409.498 1.235 30 10 HDEE CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1727353986 AFKBTTQNQYMTJA-HOTGVXAUSA-N 423.539 1.116 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1CCCS(=O)(=O)Cc1ccccc1 1727623205 GXJNJLBJLWJSJN-QGZVFWFLSA-N 403.508 1.574 30 10 HDEE CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729151171 QQTMGUTXISLJAO-INIZCTEOSA-N 410.482 1.138 30 10 HDEE COc1cc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1729978220 GTHFPKCLMVSXJV-SFHVURJKSA-N 407.478 1.967 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](CC)OC 1740602547 OSVONVULABGBOD-INIZCTEOSA-N 405.524 1.690 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccccc12 1740630116 FRCRAIGSKYFROK-MRXNPFEDSA-N 424.530 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)nc1 1740644918 YTGGOYXNXHDYNP-ICSRJNTNSA-N 422.489 1.477 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1740671986 TWEBAICZPJPBLS-ZDUSSCGKSA-N 422.580 1.837 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1N(C)CCCC1(C)C 1740678358 KUPCYJNIVWUFIH-KRWDZBQOSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cccc(F)c2)CC1 1740689180 QTPINGNCHIFWMM-UHFFFAOYSA-N 414.485 1.390 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOCC1CC1 1740725240 NLGGISNGMXGTDB-DNVCBOLYSA-N 409.556 1.697 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740956096 GRHFBHDOIBUGLX-QGZVFWFLSA-N 417.535 1.433 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCCNS(C)(=O)=O)C1 1740978432 UVQFJYFAGBTJJA-HNNXBMFYSA-N 423.514 1.805 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCO[C@H]2C(=C)C)C1 1740981322 VMAWTLLUWWMKBN-ZMMAXQRCSA-N 401.511 1.992 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1741000488 BAWIXHGEDGGIHR-HZPDHXFCSA-N 417.539 1.460 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC1(N(C)C)CCOCC1 1744009156 HOHODCNBNMUBEI-MRXNPFEDSA-N 419.574 1.903 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746684474 NIAWZCDYJHEPOV-VQTJNVASSA-N 414.466 1.145 30 10 HDEE CN(C)[C@@]1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1747566267 DLPSLJLKAXCGJI-QZTJIDSGSA-N 404.519 1.558 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1748639374 GDUWCVQESQMPJF-HUUCEWRRSA-N 405.524 1.712 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1748730075 DKHAMILKFWGXIZ-UHFFFAOYSA-N 403.531 1.461 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1COc2ccccc2O1 1748875067 IKXUUEAXTKGPOJ-WFXMLNOXSA-N 422.485 1.915 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@H]2CCCCO2)CC1 1748977398 HRGGZSJXRPGKNH-RBUKOAKNSA-N 405.543 1.717 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC=C)CC1 1749016573 GIBQFOIRJKKWEZ-UHFFFAOYSA-N 403.490 1.668 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CC(N)=O 1749142062 OCZYVMHVJFKIKD-MGGVOPSTSA-N 421.542 1.683 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1749230201 UYUWZMGGKYATPR-INIZCTEOSA-N 408.528 1.143 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)CC1 1749342774 OGQLBHSMGBQFHS-KRWDZBQOSA-N 423.583 1.745 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1)C1CC1 1749519258 HOMDBWVGRJTYQK-MRXNPFEDSA-N 409.556 1.956 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nnc2n1CCC2 1749956233 XANFWKKUIVRJBX-SCLBCKFNSA-N 404.450 1.030 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnccc1OC 1750139565 OFDLGHQXRDRQPR-GZRFBZBPSA-N 416.457 1.896 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccco2)C1 1750377847 ARGFMYKUPDTOJV-HXUWFJFHSA-N 409.425 1.729 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC[C@@H]2COCCO2)CCO1 1750387909 DWPNSZXBMZSWER-CVEARBPZSA-N 417.441 1.530 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCC[C@@H]1CO 1760123158 ZLDYHWSKSHZHPL-UYAOXDASSA-N 413.570 1.835 30 10 HDEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760133523 GZCRHGLAXUBVLT-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C#CCCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760158794 RNUGNDCYTLBSKV-FQEVSTJZSA-N 411.506 1.920 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760160232 BRLNBFJMWDVQER-SFHVURJKSA-N 400.527 1.923 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)cc1 1760192094 DSRDPBUIAKHSIN-UHFFFAOYSA-N 420.517 1.374 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCN2CCSCC2)CC1 1760263265 URGHNNWMPYKVCT-UHFFFAOYSA-N 402.612 1.815 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)C 1760293921 IHIJYIPZRUPZTE-OAQYLSRUSA-N 412.494 1.913 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(C(=O)CCc2ccccc2)CC1 1760514808 FYRZIAAJXDOWLT-UHFFFAOYSA-N 410.522 1.560 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccsc2)CC1 1760521164 LKBKKMVGPZSIEE-MRXNPFEDSA-N 414.535 1.977 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCOC2)nnc1[C@@]1(OCC)CCOC1 1760528308 YSWZMFVMGMEAGI-OXJNMPFZSA-N 407.515 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C)C(C)(C)C1 1760549043 VJUYBIQRCSPLTB-HNNXBMFYSA-N 411.572 1.890 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760678214 VJYUJWLZKXXOCH-QZTJIDSGSA-N 407.478 1.058 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCCO1 1761569038 AXGPPACLBWMOFG-LJQANCHMSA-N 401.492 1.621 30 10 HDEE CC[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1765085059 GLJOZUIVOPZJJJ-VQHPVUNQSA-N 407.540 1.735 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@@]2(O)CCSC2)cc1 1771533847 BAGTTYMNFJUNKQ-IBGZPJMESA-N 401.492 1.433 30 10 HDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)ON1C(=O)c3ccccc3C1=O)C2=O 1772792350 LLCKKMCFKWZQMA-QKVFXAPYSA-N 413.430 1.878 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H]1C 1772881883 SZMGCACKFGSJCL-IAGOWNOFSA-N 420.525 1.812 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)c1 1849560992 UWKPJCDFWYFIGD-UHFFFAOYSA-N 402.520 1.411 30 10 HDEE COc1ccc(-n2cc(CN3CCN(C(=O)c4ccnc(C#N)c4)CC3)nn2)cc1F 1850682862 HGXFXSFKEGPQEQ-UHFFFAOYSA-N 421.436 1.640 30 10 HDEE CO[C@H](C)C(=NOCCCN1CCOCC1)NS(=O)(=O)c1ccc(C)cc1C 1853423001 MGUQFGZFNHKFJS-QGZVFWFLSA-N 413.540 1.669 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2noc3c2CCCC3)C1=O 1853828831 OWIDWQCKMLBPDR-CVEARBPZSA-N 400.479 1.403 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1=O)[C@@H]1CCN(C)C1=O 1854174884 IFNYUXSBRRCVDR-MOPGFXCFSA-N 407.474 1.332 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4cccc(F)c4)C3)CC2=O)ccn1 1854242051 LLKAHDYGRLSGIZ-HXUWFJFHSA-N 407.449 1.651 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1854357339 XNJYEJQUZWHKSJ-IAGOWNOFSA-N 407.467 1.419 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3ccc4c(c3)OCO4)C(=O)C2)C1 1854956431 MUQNHOMQGHRGGF-WMZOPIPTSA-N 412.490 1.395 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 1855493664 YWWZPFUPWDQSHF-CQSZACIVSA-N 411.911 1.724 30 10 HDEE CC(C)C[C@H](CC(F)(F)F)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856059190 YPUWVOLDESMMCQ-GFCCVEGCSA-N 411.446 1.904 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(CCC)cc3)C2)CC1=O 1856901547 DMVNTFDVESOCRE-IAGOWNOFSA-N 422.503 1.521 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CCC1=O 1856941051 JGZKAAJVZCOBFC-INIZCTEOSA-N 400.479 1.398 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CSCc3ccc(OC)cc3)OCC2=O)CC1=O 1857047328 ZBZAXFQZCUPZFI-AEFFLSMTSA-N 418.515 1.717 30 10 HDEE CC(C)CC(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127069 DXGJAXIIRDBAEE-GOSISDBHSA-N 402.539 1.882 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2cn3ccsc3n2)C1)[C@@H]1CCN(C)C1=O 1857225314 BJPSHWOPEUTDMU-GOEBONIOSA-N 415.519 1.032 30 10 HDEE Cc1cc(C(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)nn1C 1857265695 YMEOKRMPFSIXIS-INIZCTEOSA-N 406.490 1.864 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)C2CC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1857414995 SNAZEFBPAFYOBU-CYBMUJFWSA-N 418.448 1.279 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CNC(C)=O)sc2c1 1865949271 JYSHXCCSWYVSPQ-UHFFFAOYSA-N 408.505 1.734 30 10 HDEE C=CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870810494 FOBWMKMVCFYVNJ-KRWDZBQOSA-N 419.503 1.852 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1cccnc1 1874434062 LECAWEOZSZBZLR-SSDVNMTOSA-N 415.523 1.732 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@@]2(C#N)CCOC2)N=C(c2ccccc2F)c2ccccc21 1887622371 IDKVBBNNXGSKKL-SIKLNZKXSA-N 421.432 1.947 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1986344096 FCFPFJGOGAWWJM-DKTYTTGXSA-N 414.506 1.641 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cccc(C#N)n1 2066421854 SNPVRTBUDYVPID-GOSISDBHSA-N 402.407 1.719 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCOCC1 2174779947 OOOASHLTQSTVFG-UHFFFAOYSA-N 405.517 1.110 30 10 HDEE CN(C[C@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CCO1)C(=O)OC(C)(C)C 2174780945 AEDMVOKMKSSPPH-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 2174788530 GFGRPFCUUPFGQP-ARFHVFGLSA-N 403.545 1.710 30 10 HDEE Cc1sc(CNC(=O)NCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2237714962 BTFLCHMMJCFVAQ-UHFFFAOYSA-N 402.347 1.465 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243394671 LDAJWNUKNLHEAJ-UONOGXRCSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244547901 HLOXZZATGSCPDJ-AWEZNQCLSA-N 410.320 1.792 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)CN(C)C(=O)OC(C)(C)C 2247826862 AQOXOIAKVDXCRU-ZDUSSCGKSA-N 422.335 1.942 30 10 HDEE Cc1ccnc(C(=O)NOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247832056 JEYDVYUVSAKUHO-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)n1 2247838919 PFHYBAKHGBEOQT-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE N#Cc1nc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cs1 2249814306 NWINXVTUTPJHLF-ZDUSSCGKSA-N 409.445 1.309 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H](C)CC[C@H]1C1OCCO1)B1OC(C)(C)C(C)(C)O1 2255954022 RRCLDIUTCUAKFB-ZFWWWQNUSA-N 401.334 1.977 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CC[S@](C)=O 2282324895 WROKMXSXWBHHTE-FTJNGKRUSA-N 421.415 1.791 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCNCC2(F)F)OC1(C)C 2282339833 XZCKUCABQQCXGZ-LLVKDONJSA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CC(F)(F)CO3)c2)OC1(C)C 2282340053 APZVNSLMVAKTMZ-NSHDSACASA-N 409.285 1.750 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCCc3nncs3)c2)OC1(C)C 2282344403 BOOKIGHKKCFECL-UHFFFAOYSA-N 415.371 1.810 30 10 HDEE CN(C)C(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282421713 RPKTYTZRENZPHR-UHFFFAOYSA-N 422.765 1.457 30 10 HDEE C[C@H](N)[C@@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489524 DNIBYNAHSGPIEE-JSGCOSHPSA-N 400.375 1.938 30 10 HDEE CC1(C)C[C@@H](N)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491180 MNWSUEGYQKACFA-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282602469 SLMKZOSQLVMNMS-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CCN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2282613020 ISBKHAPHWVUQRJ-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC(C)[C@]1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851528 DEDLRSWDDNHIHP-KRWDZBQOSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@](C)(C(=O)O)C(F)F)OC1(C)C 2284411195 ZIYNTAUUXCTGON-AWEZNQCLSA-N 411.257 1.434 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CCNS(=O)(=O)c2ccc(C#N)s2)nn1 2287080144 PVWQBWJLQWWIGE-UHFFFAOYSA-N 412.497 1.214 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(C#N)c(Br)c1 2320920925 ZQXFSXDZIWVENO-UHFFFAOYSA-N 414.256 1.507 30 10 HDEE CC[C@@]1(C)[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2361993829 YWKSTIMNUBEDSK-SJCJKPOMSA-N 401.359 1.971 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363540573 ZHSYOGKLNNUCJN-KBXCAEBGSA-N 413.565 1.945 30 10 HDEE CC(=O)N(C)CCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2364954168 QMLXXZBTCJROEE-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE Cn1nccc1C#C[C@H](N)[C@@H](O)c1ncc(Br)cc1Br 2367754864 RNTOAKJURVJJMS-WCQYABFASA-N 400.074 1.753 30 10 HDEE CC1(C)OB([C@@]2(C)CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)OC1(C)C 2368345997 OGWSTVMKCZNUMZ-INIZCTEOSA-N 407.363 1.452 30 10 HDEE COc1cc(CCC2CCN(c3c(C#N)c(=O)n(C)c(=O)n3C)CC2)cc(OC)c1 14316385 FEZBTLBOTWKUKG-UHFFFAOYSA-N 412.490 1.822 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cccc(C(=O)N(CC)CC)c2)CC1 27559839 WNOTVMLDIBLBRD-UHFFFAOYSA-N 415.538 1.027 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)CC1 53309574 OKKCESYFFQSHPB-HXUWFJFHSA-N 414.550 1.586 30 10 HDEE C[C@]12CCC(=O)N1[C@H](C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1)CS2 111213158 RIDDYYJEAIEZBM-VCBZYWHSSA-N 416.528 1.852 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 230130954 QTHOUQQKUFBSPX-UXHICEINSA-N 410.486 1.179 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O 436621817 FEVWACPFIDYSAP-KRWDZBQOSA-N 416.441 2.396 30 10 HDEE COc1cc(C)cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1O 436752402 AQYUBYUXCXGEQM-UHFFFAOYSA-N 415.471 1.728 30 10 HDEE C=CCc1cc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@@H]3C(=O)OC)cc(OC)c1OC 439937674 BZGLRCGUXYCYRS-UOVPBQLFSA-N 417.458 1.998 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnn(C3CCOCC3)c2)CC1 441971610 UYCZQTHKTUBELR-UHFFFAOYSA-N 402.480 1.012 30 10 HDEE CCOCc1nc([C@@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)no1 462304059 UZZVNMJAQCQQIW-CHWSQXEVSA-N 400.443 1.249 30 10 HDEE C=CCN(CCOC)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 478377816 GCTQSRQVASXMAM-UHFFFAOYSA-N 403.526 1.113 30 10 HDEE CN(C)C(=O)COc1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 481072006 NWBOZOVJDDVKPV-UHFFFAOYSA-N 405.451 1.784 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(O)c(Br)c2)CC1 486648816 FPNXHUQSGXCDFF-UHFFFAOYSA-N 411.300 1.284 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC[C@@H]3CCN(S(C)(=O)=O)C3)nnc12 487110813 DAUYXYQTVTVKGN-CYBMUJFWSA-N 419.532 1.604 30 10 HDEE COc1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1O 487452276 BXXGXWPCYUHXNF-GFCCVEGCSA-N 419.459 1.264 30 10 HDEE Cc1ncc(S(=O)(=O)N(Cc2cccnc2)[C@@H]2CCS(=O)(=O)C2)cc1C#N 489017999 FYSOXVGFNJDQOS-MRXNPFEDSA-N 406.489 1.035 30 10 HDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)[C@H](C)C2)cc1 489177036 DKCDUCDJBHONAB-CQSZACIVSA-N 414.487 1.948 30 10 HDEE CC(C)(C)S(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 494392739 MZARMGCTUPNEBV-UHFFFAOYSA-N 403.501 1.568 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 522661168 KAMAJZCCKJPKFF-ZDUSSCGKSA-N 410.565 1.841 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(S(=O)(=O)NCCN(C)C)cc1 539554984 PIGLBBSMAWGTGQ-UHFFFAOYSA-N 422.532 1.507 30 10 HDEE C[C@@]1(C(N)=O)CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 541702468 NOLIKLHAHGOCMZ-NQIIRXRSSA-N 401.486 1.264 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 542264277 AHZFLHBYPGWLMX-HRAATJIYSA-N 400.479 1.950 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 553855227 XTCNNNNDHUKCPQ-UHFFFAOYSA-N 407.474 1.359 30 10 HDEE COC(=O)CCCc1nnc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 555069118 PVAWHWCCFHSGBQ-UHFFFAOYSA-N 415.479 1.655 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 590913981 GPADNIJLSCDJFO-QGZVFWFLSA-N 424.526 1.046 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 604467557 GEHQFCCZXJZFJT-AWEZNQCLSA-N 410.459 1.295 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)cc2C1=O 608227976 JFUZRMKSGLTRSM-YVEFUNNKSA-N 407.430 1.126 30 10 HDEE CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cc2)CC1 609255631 HESJZCIQGPJBGG-UHFFFAOYSA-N 423.448 1.340 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1-c1ccccc1C 609450425 WDEQGDPRYSMFTJ-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE CCN1C(=O)[C@H]2CN(CC(=O)Nc3sc4c(c3C#N)CCCCC4)CCN2C1=O 610616045 FQJWVSJYSNSWJS-OAHLLOKOSA-N 415.519 1.795 30 10 HDEE CS(=O)(=O)Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 610746589 JSRZYINWQBJRFJ-UHFFFAOYSA-N 407.398 1.636 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 610981130 VNAKZNLWFQGWRW-UHFFFAOYSA-N 421.519 1.992 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCCCC1 732152923 HJUFUXMZKXESEG-FOCLMDBBSA-N 406.483 1.857 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732650226 JJAGRLSTXAPOCI-HKUYNNGSSA-N 402.520 1.347 30 10 HDEE CN1C(=O)C[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1cccnc1 733927994 KNJSLUPXTJBMKD-WIYYLYMNSA-N 404.474 1.653 30 10 HDEE COC(=O)[C@H](OC(=O)CSc1ccc(S(N)(=O)=O)cc1)c1ccc(C#N)cc1 740237635 QLLGHVMKOGXNLS-QGZVFWFLSA-N 420.468 1.755 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742392645 MSQQRKWYYUZFJZ-UHFFFAOYSA-N 421.567 1.270 30 10 HDEE C#CCNC(=O)C1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 747816371 BQALXWCMHPOVRY-UHFFFAOYSA-N 407.518 1.567 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCO3)c1=O 748064486 UJPCLVSGVNAVAP-UHFFFAOYSA-N 412.467 1.157 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 752701173 GJUCHEBRZOOPHV-UHFFFAOYSA-N 415.471 1.860 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCCN2C(=O)c3ccccc3C2=O)CCCCC1 754007351 IENZMGQQNQTLOD-UHFFFAOYSA-N 417.487 1.983 30 10 HDEE C[C@H]1CN(c2ccc(CNc3cccc(S(N)(=O)=O)c3C#N)cn2)C[C@H](C)O1 754980741 VALFGXKZEKOYBH-KBPBESRZSA-N 401.492 1.826 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCN1C(=O)N[C@H](C[C@@H]2CCCc3ccccc32)C1=O 761269280 AJSOVMXKGYGALX-LPYRORPOSA-N 408.458 1.943 30 10 HDEE C[C@H](CC(=O)N[C@H](C)C(=O)Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 762011278 RYWQDSSQLZWHRC-HUUCEWRRSA-N 413.499 1.820 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)cc1C#N 774859387 IVVQWHQSWLPFLB-HXUWFJFHSA-N 422.485 1.200 30 10 HDEE C[C@@H](OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)N(C)CCC#N 780256569 UHVCCTBIJKKKGQ-FOIQADDNSA-N 403.435 1.376 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 784126963 QWTZWXRHYCEZKU-QGZVFWFLSA-N 402.520 1.336 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccn(Cc3ccccc3)n2)cc1 791307485 PPTFWCDZGILMRU-UHFFFAOYSA-N 408.483 1.773 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 793284426 FMFVQAAFRSHUMN-OAHLLOKOSA-N 401.467 1.446 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1Cl)C(=O)OC 795400543 FXCSSZIXWDOJOH-ZDUSSCGKSA-N 404.872 1.064 30 10 HDEE CSC[C@@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)Cc2ccccc2C#N)CC1 799599697 DERDNLYMDHVWDB-CQSZACIVSA-N 423.560 1.742 30 10 HDEE C#CCCCn1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803192396 PUZULTCRLGVUCP-UHFFFAOYSA-N 416.532 1.507 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 803921941 JNCUZHDHKQOXLT-AWEZNQCLSA-N 417.437 1.961 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)CCc2c(C)nc(O)c(C#N)c2C)nn1 811089160 BXOGMHQXORPHAS-IAGOWNOFSA-N 401.423 1.130 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1-c1ccc(F)cc1 814250066 GQAYCMCTOKGMDU-UHFFFAOYSA-N 401.373 1.526 30 10 HDEE NS(=O)(=O)c1ccc(C=NNc2nc(-c3cccnc3)no2)cc1Br 814950159 SXALJFPVIKLVEK-UHFFFAOYSA-N 423.252 1.988 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(=O)n(CCCOC)n2)cc1 1125155610 IWCPTFIXNVUDNK-UHFFFAOYSA-N 420.491 1.339 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc(S[C@H](C)C(N)=O)n2)c1 1125293790 FGFYGPWXNYYVTL-LLVKDONJSA-N 402.501 1.388 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCO[C@@]4(CCOC4)C3)C2=O)cc1 1127534583 UGFJRGJNKKIOJI-XPIZARPCSA-N 412.446 1.218 30 10 HDEE C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C1 1128703652 NRNZDTIMYLPIKG-JXXFODFXSA-N 406.552 1.927 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@]3(CCSC3)C2)ccc1F 1130022411 HGGJJYBOJINOMJ-QGZVFWFLSA-N 400.497 1.638 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1132310529 HLMXYXXDASBRSG-LJQANCHMSA-N 404.536 1.801 30 10 HDEE C#Cc1ccc(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)cn1 1133400207 GWDVRHXTCPDBLN-MRXNPFEDSA-N 407.492 1.217 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCCNc2ccc(C#N)cn2)CCCOC1 1141487185 VPSAZOJBRYHAEV-HXUWFJFHSA-N 403.483 1.803 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](N3CCCC3)C[C@H]2C(C)C)c1 1159139370 IVIREIHKLRNDAL-QUCCMNQESA-N 403.548 1.933 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 1159777221 ATTQAHVMPPVHRO-QGZVFWFLSA-N 422.551 1.954 30 10 HDEE CN(C)CCn1cc(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)ccc1=O 1161108607 XGZVOJBAJQYSTD-INIZCTEOSA-N 405.499 1.936 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1170280147 BECYKKGMRLAVIR-GJZGRUSLSA-N 415.437 1.675 30 10 HDEE N#Cc1ccc(N2CCC[C@H](N3CCN(C[C@H]4CCCS4(=O)=O)CC3)C2=O)cc1 1175389260 GXTAIIQWIOJVGF-UXHICEINSA-N 416.547 1.248 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1C[C@H]1CCCO1 1179428595 VREABVPOYMSIDH-BHYGNILZSA-N 407.492 1.022 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CCCN1C(=O)OC(C)(C)C 1180028599 SQQFDSHTQAUGIR-QVKFZJNVSA-N 415.494 1.670 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCCN1CCOCC1)c1ccc(Br)cc1 1190715562 JYDCFAXCLPNBFK-MRXNPFEDSA-N 401.326 1.765 30 10 HDEE C[C@@H](NC(=O)CNC(=O)CN(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(F)cc1 1195877073 QPNMPBVZVZBUNM-QRWLVFNGSA-N 412.465 1.656 30 10 HDEE C=C1CCC(CNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 1213651882 MHIYONBOQNYCCR-LJQANCHMSA-N 407.492 1.775 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Nc2sccc2C#N)CC1 1219354347 DXRJQQWARLTUCR-UHFFFAOYSA-N 419.532 1.878 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1231316834 GDSHQPIGNPSSCV-UHFFFAOYSA-N 407.471 1.388 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC4(CCOCC4)O3)C2=O)cc1 1248374482 AXPNISAWJMTYJX-MOPGFXCFSA-N 412.490 1.687 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1nccn1-c1ccccc1 1251645187 FOBWHSHFWUGIHW-ZDUSSCGKSA-N 405.418 1.334 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC)c1ccc(Br)cc1 1252459372 RAEMKDKNUJRKJW-IHRRRGAJSA-N 401.282 1.235 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C1CCOCC1 1280094897 DELNRFUZFWZODB-RTBURBONSA-N 400.475 1.853 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCS(=O)(=O)C1 1286761213 YEAVQHROUCXLTB-INIZCTEOSA-N 407.540 1.404 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1286774101 YSNDEDSZFSCGOG-ZGPJWRFFSA-N 403.527 1.809 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1286792203 QPUHFUPDAWNGAQ-GASCZTMLSA-N 403.458 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(c2ccccn2)CC1 1286819351 HQRWLUJTZDSCEC-UHFFFAOYSA-N 416.551 1.868 30 10 HDEE C#CCN(C(=O)[C@@H](CCOC)NC(=O)OCc1ccccc1)C1CCN(C)CC1 1289195238 GDUCXPUUMMZANI-HXUWFJFHSA-N 401.507 1.874 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1290416972 DOLYMAMKWHGJSX-SUMWQHHRSA-N 424.527 1.511 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCN1CCN(C)C(C)(C)C1 1290863485 HGJCJFWIETWLHJ-UHFFFAOYSA-N 422.581 1.811 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCCS(C)(=O)=O 1291980673 JMJQPMHFYCSSEL-QGZVFWFLSA-N 421.519 1.943 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)C1 1296165792 BZMFTNRIMQYLHV-LBUQITIBSA-N 412.490 1.710 30 10 HDEE CCOCc1nnc(N(C)Cc2ncnn2CC(F)F)n1Cc1ccc(C#N)o1 1297065953 DYNFPVRJJJZEDD-UHFFFAOYSA-N 406.397 1.821 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1300301625 SUGHFUVRWGIELA-HUUCEWRRSA-N 414.549 1.178 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300444294 YXBIKBVOCTTYEZ-KRWDZBQOSA-N 401.536 1.858 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1300495131 DDLKBBOVMFRKCU-INIZCTEOSA-N 404.540 1.459 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1300502272 RRKTUCWQUZFBFR-MRXNPFEDSA-N 423.489 1.936 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1300622342 VVHCUNPUJIKOSB-UHFFFAOYSA-N 400.483 1.628 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1300629870 HPUZSKPRNTZCDM-UHFFFAOYSA-N 424.530 1.702 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(OC)nc2OC)CC1 1300692837 NJGJFTRLGKONAQ-UHFFFAOYSA-N 419.489 1.556 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC[C@@H](C)C2)CC1 1300695851 MQBBUWQUSYBNKA-LJQANCHMSA-N 424.597 1.944 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1303008786 AVMBWSAUXBBVDZ-GDBMZVCRSA-N 416.869 1.518 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1304846898 FXTZWMJHDNEWDR-VGOFRKELSA-N 410.522 1.710 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCS(=O)(=O)C2)cn1 1314897113 HQOYPMRWOMHHNO-MRXNPFEDSA-N 417.539 1.633 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)C 1315876819 WNLDMUFCCNXUED-UHFFFAOYSA-N 423.477 1.960 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C1 1316343031 GQDUVDRSNWWTOC-OAHLLOKOSA-N 414.516 1.945 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358956736 JZPANLWFNXKNJW-ROUUACIJSA-N 405.568 1.680 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nccn1C(F)F)[C@H]1CCS(=O)(=O)C1 1358965728 AEEJJLTVBXROPM-AWEZNQCLSA-N 424.477 1.497 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCCC 1358975705 BHNFATSUOBBEBF-UHFFFAOYSA-N 401.474 1.730 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1359009576 SYJFCWIXERPQHL-HNNXBMFYSA-N 418.519 1.705 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnc2n1CCC2 1359020058 PZXMMAMOMXFHES-UHFFFAOYSA-N 422.449 1.525 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1359052502 HNKBUXNVQJEYNE-AWEZNQCLSA-N 415.519 1.640 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359111060 MZCRQKMMAPIQID-OAHLLOKOSA-N 405.528 1.419 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCOCC2)C1 1359126111 GDKAIOWOANPGMQ-UHFFFAOYSA-N 407.515 1.395 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O)C1CC1 1359252194 IHHOTSQXWURYMI-UHFFFAOYSA-N 422.580 1.824 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2)C1 1359314132 WMNLVIRJZNMJRZ-RDJZCZTQSA-N 405.524 1.718 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCN(C)C)o1 1361222751 PHBMOQYOSXOUGS-GOSISDBHSA-N 413.526 1.601 30 10 HDEE Cc1c(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cnn1CCC#N 1436011272 ZWTIQTNBZHWXFK-UHFFFAOYSA-N 413.862 1.606 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1439527014 RTVQRTJZMSJXQU-ZDUSSCGKSA-N 404.533 1.408 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1440649161 WSORGKXFSPTFCF-UHFFFAOYSA-N 420.437 1.455 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 1449313666 VLVIOVNNKFQZQD-UHFFFAOYSA-N 408.476 1.793 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC[C@@]3(O)CCCOC3)C2)C1 1452756011 LUDQJCLSOFQEBW-IUTMSDBMSA-N 407.511 1.821 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1452856754 GNOBUDLPLJYVJU-YJBOKZPZSA-N 420.307 1.868 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OC 1463854742 PLFKEAIZGWKSBL-JTQLQIEISA-N 422.228 1.218 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(C#N)c[nH]c3c2)c1 1465304156 DHGVVYHFQMPLCV-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)C1=O 1467369559 HKGRWQXZENJYQW-HNNXBMFYSA-N 418.498 1.884 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1 1468071039 NIKASCSNCQBHQX-IAGOWNOFSA-N 410.517 1.556 30 10 HDEE Cn1cc([C@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c2ncon2)cn1 1468478628 MZYNNGQZVPYOSX-KRWDZBQOSA-N 414.466 1.659 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)c1 1470688700 IOKNWNCZVPGQME-UHFFFAOYSA-N 418.519 1.641 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1471984429 XETBIAGIEZMAKA-MSOLQXFVSA-N 419.551 1.950 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)[C@H]1CCCO1 1478479027 CGKAHQNKSMVVQL-WNRNVDISSA-N 417.510 1.603 30 10 HDEE CCCN(CC)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1500794300 AIGUDEDVRRZFJA-RXVVDRJESA-N 420.558 1.779 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1500891154 HVFPAEHRELYDEW-UHFFFAOYSA-N 423.521 1.208 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1503361176 BCLYURZDWUIDQA-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1503610979 CVTQZSJKSPTSRZ-XHDPSFHLSA-N 403.384 1.165 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCn2cncn2)c1 1505313676 CYMZNTKIDLXZRK-MRXNPFEDSA-N 405.466 1.200 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507525815 DHXSAHCTVMAHSW-AWEZNQCLSA-N 422.938 1.996 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1507596680 MPWHNDBJGWKWIS-QYZOEREBSA-N 403.527 1.720 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1507633565 HHNXPGCFYBBJEN-VXESANQCSA-N 424.567 1.033 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507636180 ZXLLQVUZKDOXJI-KURKYZTESA-N 406.552 1.408 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(CO)c2)CC1 1507720817 WYWMASOJNIRBNV-SFHVURJKSA-N 413.522 1.298 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1507730550 SVAUSRQMYJWNGV-UHFFFAOYSA-N 414.941 1.802 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508080863 SASJXPPGJPCLCY-KRWDZBQOSA-N 412.542 1.293 30 10 HDEE C=CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1508169295 ZVJGKAPBCNNQGT-VQTJNVASSA-N 421.567 1.566 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(C(=O)N3CCOCC3)cc2)c1 1516760995 HDAMODWWJINHFM-UHFFFAOYSA-N 405.454 1.851 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1533303783 BYNRSQMGKKXAFI-KRWDZBQOSA-N 401.492 1.186 30 10 HDEE CSc1nc(-c2ccco2)nc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006820 XZHPQISWGIGWMP-KPZWWZAWSA-N 418.500 1.777 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539066158 PTELYVZCLBZINJ-KRWDZBQOSA-N 400.527 1.774 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1539126233 ULGYGNVQSYZGRM-HOTGVXAUSA-N 419.551 1.089 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1539377434 QGQQSCIGRZIKHT-UHFFFAOYSA-N 404.515 1.727 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)cc1OC 1539392782 WXNUWUHAUJGSQT-UHFFFAOYSA-N 411.506 1.965 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1539490325 AWWPVDYMDKYLAP-UHFFFAOYSA-N 406.556 1.087 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1539491920 YFXVRLFFUASJKO-AWEZNQCLSA-N 413.507 1.007 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N2CCOCC2)CCSC1 1540069545 RXELGAXHGAMCFF-DNVCBOLYSA-N 406.556 1.059 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c([N+](=O)[O-])c1 1540583557 ZMMAKIGXHPSOKM-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1542548540 DWFLEWLOIFEVKJ-AWEZNQCLSA-N 418.523 1.184 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C)n(C)c2=O)n1 1543045287 HBMHTEGBVKYKAY-OAQYLSRUSA-N 424.484 1.637 30 10 HDEE C#CCN(CC(=O)NCC1CCN(C(=O)C(F)(F)F)CC1)C(=O)OC(C)(C)C 1543487805 HBYXVFLRTMMFGM-UHFFFAOYSA-N 405.417 1.774 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 1552903128 YCVUHJLHWYBJAE-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OCC)C[C@H]1CO 1558734755 UNHROUKXAXWFPC-MELADBBJSA-N 419.906 1.588 30 10 HDEE C#CCCCS(=O)(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1561922206 FXLHLWMWWFZKRB-ZRGWGRIASA-N 414.524 1.508 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1565411605 VNRMVNXYEYALIS-OAHLLOKOSA-N 420.539 1.851 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2=O)cc1 1568689913 NTYPDRFOZDXCJB-AOMKIAJQSA-N 417.425 1.748 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC[C@@H](CO)Cc1cc(Br)ccc1OC 1569108830 FCWDMZAYLZIVHO-YOEHRIQHSA-N 409.324 1.823 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3nn(C)cc3Br)CC2)o1 1583164842 FHLUWFJHGGIAMB-UHFFFAOYSA-N 407.272 1.884 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)c1OC 1584308203 HYYKQXRTCOVNQK-AWEZNQCLSA-N 404.467 1.194 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2cc(OC)cc(OC)c2)C1 1586784478 ZBLZEOXAAYSSHL-OAHLLOKOSA-N 416.474 1.860 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc(Cl)cn1 1588089865 QEBSSGQOLKUIIU-LJQANCHMSA-N 402.886 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2cc(C)nc21 1588174221 TWMITQKLJGCUEB-GOSISDBHSA-N 407.522 1.962 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1588265873 JKMMLCFFNSTXHD-RHSMWYFYSA-N 423.514 1.875 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(C)CN(C)C2=O)CC1 1588848824 NTGWWADZGAOYKH-QHCPKHFHSA-N 406.534 1.411 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)N2CCOCC2)CC1 1594167650 GBSZZGDGVMGSMN-UHFFFAOYSA-N 404.515 1.068 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595797420 GBWABTNBGXWAIR-INIZCTEOSA-N 407.540 1.348 30 10 HDEE C[C@H]1Cc2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)ccc2N1S(C)(=O)=O 1611534317 UBCIJLOWTIIBHL-AWEZNQCLSA-N 404.488 1.875 30 10 HDEE C[C@H]1CCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1612816301 GEHOSUQCTSUQHB-DLBZAZTESA-N 407.522 1.968 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCCN1CCOCC1 1617868717 HQUKRBVDWPGDFP-UHFFFAOYSA-N 420.521 1.909 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1618453307 PKVFPJTUERRKHE-DLBZAZTESA-N 422.526 1.813 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1619614251 GIPQRTLZNGTBRO-QZTJIDSGSA-N 416.457 1.143 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 1620487699 BPKWJVOZJBWTKN-BBWFWOEESA-N 405.520 1.982 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C(C)C)cc1 1621679528 ZHVKVYNEDABWIW-HNNXBMFYSA-N 400.522 1.645 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(CC)CC 1622824149 RPEGBCKCWOGHPH-OAHLLOKOSA-N 410.540 1.679 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1624726561 RHTSZZQQLAZESI-UHFFFAOYSA-N 408.398 1.396 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1 1629185493 LUVMOKSGPMZHGM-AWEZNQCLSA-N 411.890 1.631 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)OC)cc1 1631695939 DXSFVQIUBDTCIA-KRWDZBQOSA-N 410.492 1.334 30 10 HDEE CC(C)(C)OC(=O)[C@@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1 1633687824 DTYYALGYGNYBTM-KRWDZBQOSA-N 413.268 1.908 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NC2(C#N)CCSCC2)C1 1636413474 DFRLZQXEJYXECX-ZDUSSCGKSA-N 417.553 1.316 30 10 HDEE Cc1nc(SCC(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c(C#N)c(C)c1C 1636570994 HKORBAVYVWTMDE-CQSZACIVSA-N 411.553 1.145 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2Cl)C1 1636813541 VEGPCRGADGWZKA-UHFFFAOYSA-N 418.902 1.981 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CN(C)CCN2Cc2ccccc2)n1 1637319562 UZCBYSVVVATUPN-JOCHJYFZSA-N 408.550 1.864 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1639459422 ATMOMUSCOBZOQS-OXQOHEQNSA-N 419.503 1.684 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)[C@H]1c1cccnc1 1640218152 CFHKZLOPVOQUMO-FCEUIQTBSA-N 419.485 1.589 30 10 HDEE Cn1cc([C@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2ncon2)cn1 1641577746 IDFCIYDUMURVGM-IBGZPJMESA-N 407.434 1.736 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(c4ccc(F)cn4)CC3)CC2)o1 1643890137 WEQBCXUAUOVMTM-UHFFFAOYSA-N 412.469 1.917 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(C)n(-c4ccc(C#N)cc4)c3C)C[C@@H]12 1645611781 ILVCYPUVCDMTAE-ZCNNSNEGSA-N 413.499 1.850 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H](CCCN(C)C)C2)s1 1647760542 YODISSLVAPWMCM-OAHLLOKOSA-N 415.581 1.324 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC[C@@H](O)COc2ccccc2C#N)C1 1648332803 CIMCEIMVRVUTSB-UTKZUKDTSA-N 405.495 1.650 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 1652012784 GWKRDMWGMNVPBV-GOEBONIOSA-N 402.447 1.825 30 10 HDEE COCCCN(C[C@H](O)c1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1653738244 OUQGQIBRXLMHTE-KRWDZBQOSA-N 415.494 1.635 30 10 HDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1654222851 HYYQUOLZXYAMPN-ARFHVFGLSA-N 418.460 1.352 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OC 1656973381 CDSYVMVXXJECMY-CQSZACIVSA-N 404.510 1.079 30 10 HDEE Cc1ccc(S(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1C(N)=O 1662835641 AQKPIBRNCQSEET-UHFFFAOYSA-N 412.515 1.909 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N=[S@](C)(=O)N(C)C 1664193826 JCNRDOUAKHZZIL-SANMLTNESA-N 422.573 1.140 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)CN1CCOCC1 1667526191 CUKJGPLVSFRLSP-LLVKDONJSA-N 420.304 1.706 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1669405340 ZFWPSWOIWJOHEY-MRXNPFEDSA-N 417.487 1.851 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)[C@H](C#N)C1 1671494660 CPUSSLDYQWRUST-CHWSQXEVSA-N 402.517 1.258 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 1672443767 WRQPFXMZMDIYGC-AEFFLSMTSA-N 408.499 1.257 30 10 HDEE CC#CCN(C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1677882003 OWBNMHKPBFSSBP-UHFFFAOYSA-N 409.508 1.522 30 10 HDEE COC[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1681222564 XBUGCYPICLGHKT-RVKKMQEKSA-N 411.911 1.650 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1681880270 PHCYZUMFMFLIEJ-OAHLLOKOSA-N 409.531 1.989 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCC[C@H]2CCOC2=O)CC1 1683838998 BNMYKKZUHINGMN-AWEZNQCLSA-N 413.434 1.981 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)CN(C)C 1689959796 NMSMENWDUDHXQZ-UHFFFAOYSA-N 417.583 1.895 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689985852 CVIOGHYHFPKABC-JXFKEZNVSA-N 419.551 1.317 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nncn1CC 1690098752 UAGJCVPBWVFLQG-UHFFFAOYSA-N 409.450 1.420 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(N)=O)c1 1690189404 YXBPOCPAHJEODK-JOCHJYFZSA-N 408.506 1.750 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCCOC)C1 1690342348 JGUSMYLFOWMJGE-ZDUSSCGKSA-N 409.874 2.000 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1690534833 NCPAISRRVZAECC-QLFBSQMISA-N 404.515 1.807 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690673905 IQGKOXGXTIGHFG-QGZVFWFLSA-N 400.527 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](COC)C1 1690722367 GYNCQPSZGCMWCP-HNNXBMFYSA-N 408.528 1.142 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1692519361 IPTUJKICHDBDIJ-UWJYYQICSA-N 416.526 1.884 30 10 HDEE CCSCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696568744 LFKCKDOGTFBIPG-QGZVFWFLSA-N 417.583 1.720 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1697788171 XHHAUCAWYJUHAM-HOTGVXAUSA-N 417.441 1.713 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705508225 KVJIAVBGRMFVDR-SFHVURJKSA-N 416.570 1.909 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705533534 YHXWUTOHSOEUDS-IRXDYDNUSA-N 421.567 1.479 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1705547578 IYQSPXSGBVWDCY-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1ccco1 1705586511 MKTJSWQPMQNZET-UHFFFAOYSA-N 408.487 1.730 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1705613007 UMTQHLNCVXKQJS-HNNXBMFYSA-N 423.564 1.489 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C2OCCO2)c1 1705626036 GKAOMZAXWSLWDS-UHFFFAOYSA-N 422.489 1.858 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2F)CC1 1705642261 NGLBHEIEYQINBT-UHFFFAOYSA-N 424.524 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC1CC1 1705669124 DEKCZWRBFHLKKT-YADHBBJMSA-N 415.538 1.837 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(N)=O)CC1 1705738321 STGNURCMANTCLD-UHFFFAOYSA-N 423.521 1.811 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCOC1 1705885227 LJFXSVCDKFGYBZ-GHTZIAJQSA-N 416.478 1.581 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1705939293 VGNXHZGRORGVGO-DJIMGWMZSA-N 410.540 1.734 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)CN(C)C 1710698232 TVNZTBFUPSYVMY-UHFFFAOYSA-N 413.526 1.937 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722325496 LYKQUFBQDOCHIY-SFHVURJKSA-N 413.478 1.327 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC(C)(OC)C1 1722329892 LVMDOWHSZVEVSY-UHFFFAOYSA-N 402.524 1.877 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1722341878 FOAKADASQLRYBK-HZPDHXFCSA-N 416.551 1.409 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCn1cnc2ccccc21 1722370699 MQWAZMXTQABTBY-UHFFFAOYSA-N 401.474 1.637 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1722408212 YQRQJBZGXYZOCT-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)NC 1722660205 PDMVWMJYEYHOBV-INIZCTEOSA-N 423.514 1.663 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(O)CC(OCC)C2)C1 1722711757 IFZXTGKATDSVEB-BQJIDLTASA-N 401.511 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722725321 JBGXVBXLOBPGAD-IAGOWNOFSA-N 418.567 1.860 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722742663 BQBHBWDKNDONAZ-KBPBESRZSA-N 407.496 1.434 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1729059794 QLZVHZYNOAOULC-KRWDZBQOSA-N 414.510 1.876 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1729636451 AAIYLJOYLOGMJU-QFIPXVFZSA-N 421.505 1.305 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)cc1 1730878480 VSVYHNLYVDGGLQ-YJBOKZPZSA-N 401.467 1.788 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCCN1CCN(CC)CC1 1740611939 XGVGTIBDPCGGSS-UHFFFAOYSA-N 410.566 1.975 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(Cl)nc2)CC1 1740689418 VVMWNXQFPBLMLI-UHFFFAOYSA-N 401.902 1.268 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](COC(C)C)C1 1740709149 BCBWRQOMFWPZED-MRXNPFEDSA-N 409.556 1.413 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1740790089 PAGQJHXGZXWGTE-MRXNPFEDSA-N 415.494 1.867 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1740810827 HGCPCSMFINWKQA-BZPMIXESSA-N 403.936 1.456 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1740836570 PCDQZZQDYREMLH-NDXORKPFSA-N 406.527 1.873 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1740941180 DRMINABFBBKGQP-GOSISDBHSA-N 420.535 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740958571 QQTMLDMNHRXQQU-XOBRGWDASA-N 404.515 1.173 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](OCC(C)C)C1 1740963324 HSAIUUJRFKMETQ-GOSISDBHSA-N 415.542 1.693 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)C1 1740986762 GSMSNHYJWRQUBB-KRWDZBQOSA-N 417.535 1.357 30 10 HDEE CC1(C)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCNS(C)(=O)=O)C[C@H]21 1741993286 HGENUMGKEOIVEW-CALCHBBNSA-N 414.535 1.848 30 10 HDEE Cc1ccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)cc1 1742150803 HRXUJEDWYBPNBG-UHFFFAOYSA-N 423.521 1.895 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1747275598 IDBUQAKVNXMEAE-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748745533 NVPDCUKERSMWQQ-HNNXBMFYSA-N 405.466 1.285 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)noc1C 1748864116 QGQLHOKJIGXLBI-CQSZACIVSA-N 404.496 1.004 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749458111 YLXZCTSTCOCIFL-WMZOPIPTSA-N 418.542 1.805 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749668993 BGELCWCTIDVIRH-UHFFFAOYSA-N 414.470 1.794 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CC2)C1 1749705280 HRZPDQKQOHUEJH-OAHLLOKOSA-N 405.524 1.642 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1750075815 HVEWFOXZKAFWPN-OLMMMNRUSA-N 413.478 1.926 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCC[C@H]1CO 1760123157 ZLDYHWSKSHZHPL-QUCCMNQESA-N 413.570 1.835 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760180652 IVQNRQMLWKUAEH-SJLPKXTDSA-N 424.567 1.819 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CC 1760244639 BPCXOPPAMWJMCB-HXUWFJFHSA-N 420.535 1.596 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@](C)(O)C2CC2)CC1 1760264139 CRJLYWQQTRNTLS-JOCHJYFZSA-N 413.497 1.912 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760278717 FDARJCPRCXOWCM-KRWDZBQOSA-N 412.523 1.356 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1760334335 JBBSZLQDNYVBGT-KONPQCLYSA-N 405.499 1.062 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1760441751 SYFRROXSNFPQOX-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C=CCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513415 XDDYFKFVFDDELV-NHCUHLMSSA-N 405.543 1.806 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1760564150 QOUGUMCIABQPOM-MRXNPFEDSA-N 403.556 1.811 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1c[nH]nc1C 1771304797 KMCONYGOUPDBFI-KSZLIROESA-N 415.498 1.395 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1771529579 QIBBCPQFXVJSNI-OXJNMPFZSA-N 406.506 1.461 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772787506 KMPYSNUNMCCKNN-CYBMUJFWSA-N 406.391 1.587 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1 1851200768 NCQXPVNVRBIMHV-OAHLLOKOSA-N 406.446 1.059 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(CCc4ccccc4)C3)CO2)nc1 1851778875 VLPWAOPYMFCYIW-MOPGFXCFSA-N 406.442 1.708 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cn1 1853388605 NDPOZOVMJFKVHO-KRWDZBQOSA-N 406.895 1.395 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCC(Oc4ncccn4)CC3)C2=O)ccn1 1854028240 XIHPFGLXDYLGBH-SFHVURJKSA-N 406.446 1.418 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cn2nc(C)cc2C)C1=O)[C@@H]1CCN(C)C1=O 1854100142 NKPYQYNOJJWQNE-ZWKOTPCHSA-N 401.511 1.126 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(C(=O)[C@@H]4CCCO4)CC3)C2=O)c1 1854316090 UAVJDTHZEGVNTR-OALUTQOASA-N 410.474 1.013 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)CCC(F)(F)F 1854879729 KTPBOCHDCGQPII-NSHDSACASA-N 403.382 1.513 30 10 HDEE CCOC(F)(F)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1854886385 BVOQULFLOMEHLJ-UHFFFAOYSA-N 415.418 1.656 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2=O)CC1 1855125919 NZCHJIFVKBIOGV-SFHVURJKSA-N 400.479 1.615 30 10 HDEE N#Cc1cccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)c1 1855230853 UMYGPBSHHUIONW-MRXNPFEDSA-N 400.412 1.655 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cncc4ncccc34)C(=O)C2)cc1 1856368722 KHKVRUBTQIHDJR-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE COc1ccc(OCC(=O)N2CCN(CCC#N)C3(CCCCC3)C2=O)c(OC)n1 1856625566 DXJFOJZVKUZGIW-UHFFFAOYSA-N 416.478 1.765 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCN(CCn3cccn3)CC2)CCC1=O 1856693549 SLRKVNWEMYLKGY-UXHICEINSA-N 401.555 1.868 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1857242778 OKWMWKMJMHOXQC-SJORKVTESA-N 416.547 1.628 30 10 HDEE COc1cc(/C=C/C(=O)C(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1OC 1860634890 IIBMWEAKYGVHDY-AATRIKPKSA-N 412.446 1.434 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(O)c1 1862625674 LTTJHJYXBQESBR-IBGZPJMESA-N 424.409 1.835 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCC(C)C 1870357543 KXVCKIOHUVLTIH-UHFFFAOYSA-N 405.539 1.946 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889007151 AOKWUOPNVIGLJV-PMACEKPBSA-N 400.548 1.691 30 10 HDEE COC[C@](C)(O)CNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1889369677 DLRLBTCGYOYDBL-QWFCFKBJSA-N 405.520 1.465 30 10 HDEE N#Cc1ccc(C[S@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2074698610 ITTPOTOEHBVDFR-JYRCXFKTSA-N 401.444 1.972 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CC1 2118166002 HFVHBAKBLZQELA-MSOLQXFVSA-N 422.507 1.140 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)c1ccc(N)cc1C#N 2162930998 LJJKIXYUPGSNMD-UHFFFAOYSA-N 404.439 1.921 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1COC(C)(C)CN1S(=O)(=O)N1CC[C@H](C#N)C1 2194650088 PVOAHODUUAWVGQ-ZIAGYGMSSA-N 402.517 1.081 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247918471 OQCKXEVMRDTIPA-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE COc1ccc(NS(=O)(=O)N2CC[C@@H](C#N)C2)cc1I 2280487037 OYPZSPFNJZEZGD-VIFPVBQESA-N 407.233 1.802 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282835670 ABXBXTNYMAFUAH-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCC[C@H]1O 2282847871 GBQMXCFOQUHIQM-RWMBFGLXSA-N 401.359 1.875 30 10 HDEE C[C@@H]1CC[C@H](CN)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852762 TVSVGDQWCXOSON-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284401163 FHAMOVSPIKXOND-GHMZBOCLSA-N 401.315 1.497 30 10 HDEE CCN(C[C@@H](C)C(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284402230 HWQGDZXXSSQSKT-LLVKDONJSA-N 403.331 1.779 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409584 LFJJOMBCGAZYON-INIZCTEOSA-N 403.331 1.825 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H](C)C(=O)O 2284410325 SNRYZLFHBCKKBN-QWRGUYRKSA-N 403.331 1.576 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@H](CC(=O)O)C2)OC1(C)C 2284413875 BVQURRQYGVJZLH-LLVKDONJSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCO[C@@H](P(C)(C)=O)C2)OC1(C)C 2289240238 PVHFFCMIGSVELS-LBPRGKRZSA-N 400.246 1.864 30 10 HDEE Cn1nnc(Br)c1[C@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2296290857 IBFVJFSREKXPAM-CMPLNLGQSA-N 400.074 1.753 30 10 HDEE COCc1cc([C@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 2296927833 CLNWTLFHDMETPS-SFHVURJKSA-N 417.414 1.562 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc[nH]1 2330778156 MFINCUKBNJFGDL-UHFFFAOYSA-N 405.528 1.865 30 10 HDEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(SCCO)nnc1[C@@H]1CCCO1)OCCO2 2331007090 NJMVJQLZBSKMKM-ZDUSSCGKSA-N 421.435 1.776 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cccc(OC)c1O 2331260419 FMTROJZFHVHWIB-UHFFFAOYSA-N 407.496 1.682 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CC2(C)OCCO2)n1C 2362570968 GXLHIMXBZAMNMP-CYBMUJFWSA-N 407.320 1.547 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2365211861 PJJFOAMIQZMMFU-CUYVQJCZSA-N 400.541 1.473 30 10 HDEE CC[C@](C#CC1(S(C)(=O)=O)CC1)(OCC(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2367784878 BVTUTFPDNBHAFP-FZKQIMNGSA-N 403.497 1.730 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(N(C)C(=O)OC(C)(C)C)COC1 2367787298 KMWDFPKEEUBLOT-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE COC[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367788706 QDIMNNOZMXNSAE-BEFAXECRSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367791464 JKBDLKKBUUSLAS-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CN[C@H](C#C[C@@H](OC)C1CCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369575847 QNESHUVEZRCGRH-BRWVUGGUSA-N 402.557 1.721 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)cc1 9333685 MRRVIVJBLQHGLA-HNAYVOBHSA-N 409.508 1.650 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)[C@@H](C(=O)O)C1 95086965 CTNXKIKWEUUBGC-OAHLLOKOSA-N 409.464 1.394 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@H](Oc3nccnc3C#N)C2)C1 219953438 ZUOOGRFZCUQPQC-GJZGRUSLSA-N 401.467 1.975 30 10 HDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(\C)Cl)c1ccccc1 254836139 NFINNCBCGQNLHK-OHKQKIPRSA-N 400.870 1.834 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]([C@@H](O)C(F)(F)F)C1 434056045 CGHYDALFYDHKFJ-CORIIIEPSA-N 419.425 1.387 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)NCCOc2ccc(C#N)cc2)s1 435171550 RGFPHARESAFGEL-UHFFFAOYSA-N 408.505 1.585 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 437926860 BPLRITGSOSCEPS-BURNTYAHSA-N 412.534 1.866 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1cc(Cl)ccc1C#N 441237308 RZFADKMBFMJPQO-JHNDHUHGSA-N 405.838 1.575 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1 441786083 HQIWEEOLOVSPRO-UHFFFAOYSA-N 423.395 1.952 30 10 HDEE COc1cccc(C[C@@H](C(=O)NCCOc2ccc(C#N)cc2)n2nnnc2C)c1 460261282 JSSSHUUQNCDMAG-FQEVSTJZSA-N 406.446 1.841 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)C1=O 467679547 ZFXUOSKWOWUVLJ-MSOLQXFVSA-N 404.486 1.895 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccnc(O)c3Br)CC2)c1C#N 469854802 HAAQFMSAMABWRZ-UHFFFAOYSA-N 405.256 1.426 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc2C1=O 490770175 PVTFUXMETLAQHY-UHFFFAOYSA-N 401.426 1.698 30 10 HDEE COc1ccc(CN2CCN(C(=O)Cc3noc(C)c3C#N)CC2)c(OC)c1OC 499614556 ILBFMGKLWQTPTN-UHFFFAOYSA-N 414.462 1.767 30 10 HDEE C=CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NCC)CC1 508907239 LPDGJWFEKREYHT-UHFFFAOYSA-N 402.930 1.966 30 10 HDEE C[C@]1(c2ccccc2F)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 514627450 JVMLFSWQABMXFL-GOSISDBHSA-N 402.407 1.333 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1-c1ccccc1 516374065 GJVHXHZXAAYOAW-UHFFFAOYSA-N 419.506 1.774 30 10 HDEE N#CC1(NC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CCC1 523340843 OGFMSBCCTGFKAC-UHFFFAOYSA-N 414.281 1.365 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C#N)s2)c1=O 530653994 RLKSNFNNXFIUBC-UHFFFAOYSA-N 413.524 1.752 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CC(N)=O 532099179 HWPALWHUDHIDGL-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)n1cnc(C#N)n1 539507521 UDCAPMHWOYYMQS-ZDUSSCGKSA-N 402.480 1.331 30 10 HDEE CO[C@@H]1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 540344862 WQXSLMFKBUBFOS-DLBZAZTESA-N 406.508 1.389 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNc1ccccc1F 541487801 HYBCDRNPITUSRV-CQSZACIVSA-N 404.467 1.983 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 555903196 ZWSMSQLWEJFKIY-UHFFFAOYSA-N 401.444 1.765 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)ccc1C#N 569771065 LEGWPMMZIDVIHD-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 573845684 NNOYYOYBVKVFHM-CVEARBPZSA-N 417.539 1.261 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCC1 579893968 FKOOOCIYCPSDRE-UHFFFAOYSA-N 409.892 1.371 30 10 HDEE N#Cc1cccnc1OC1CN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 585245785 DRFBMEMUSWFRPC-ZDUSSCGKSA-N 409.471 1.325 30 10 HDEE Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 585473520 WBHINTJDFZXVQZ-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE N#Cc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(F)c1 609252578 HTCRJVVHECYSKW-UHFFFAOYSA-N 411.441 1.025 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 679524128 ASMDQQPRBBFLGP-UHFFFAOYSA-N 415.899 1.382 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nccn2CC(F)(F)F)c1 727811827 VXYMIYCVNZHZQL-UHFFFAOYSA-N 400.382 1.287 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C)cc1 734924947 XTPKSVVKPISACV-DENIHFKCSA-N 421.453 1.946 30 10 HDEE CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)CCN/C(O)=C1/N=CC=CC1=O 741340166 DNTQFCSWZDNSOF-HNENSFHCSA-N 423.828 1.897 30 10 HDEE Cn1ccnc1C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742859515 ZVJSDQVGYXKIGS-KRWDZBQOSA-N 423.498 1.559 30 10 HDEE CC[C@H](C)NC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C#N 743511247 DSFPKZFNZNZWFC-ZENOOKHLSA-N 415.519 1.929 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1c(C)oc(-n2cccc2)c1C#N 749092596 AOWLYOADGOYEQY-SRABZTEZSA-N 411.414 1.816 30 10 HDEE Cc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)cc1F 751672873 YDVGUTBENSOAFX-DOTOQJQBSA-N 422.526 1.922 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCSC)c2=O)cn1 751826274 SEEORSFSKSRKRS-UHFFFAOYSA-N 404.561 1.607 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757897599 JKUFLCKCGUDUNP-OAHLLOKOSA-N 423.491 1.536 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)cc2C1=O 766266514 DPDDMHLTYIMDRL-HNNXBMFYSA-N 405.476 1.340 30 10 HDEE CC#CC[C@H](NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC)C(=O)O 776588181 NMTLABHNNZOLDZ-YXVBKTCISA-N 411.432 1.035 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CC1CC1)C(=O)O 777387475 WYYYNJOGHLAXSQ-HNNXBMFYSA-N 407.492 1.655 30 10 HDEE CCC1(CC)CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCS1(=O)=O 777580034 KVDKXEWOIAOEMW-LJQANCHMSA-N 418.519 1.572 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 779679292 AYLKSLXBGRSTRH-UHFFFAOYSA-N 421.542 1.183 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 780176912 QTBCVOZZGKYKPN-IBGZPJMESA-N 422.459 1.636 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 780181276 XIQXMSFJPGBMHW-SFHVURJKSA-N 407.448 1.813 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780934727 MICPFFXGMSDQRB-NRFANRHFSA-N 422.485 1.174 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 791968730 NAWDPIJQPBOHAR-UHFFFAOYSA-N 413.455 1.946 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)cc1C#N 804004800 QKJSYDJNIYNTBJ-GOSISDBHSA-N 406.442 1.100 30 10 HDEE C[C@@H](OC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 809248353 BPYXMLTVDKUNKC-JPVGGKMYSA-N 416.821 1.193 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](c2cnn(C)c2)C1 849513249 AZZXKAGRMZQTIW-RTBURBONSA-N 410.497 1.815 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnn(C)c1 918605742 BSYXUKMXBBATPL-MRXNPFEDSA-N 403.508 1.232 30 10 HDEE Nn1c(NN=Cc2cccnc2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1083897183 FFYBURBLZOZODJ-UHFFFAOYSA-N 413.423 1.472 30 10 HDEE C=CCN(C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 1125883787 LHVJQVSRZXRQAI-AWEZNQCLSA-N 404.410 1.932 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)n1 1128570082 IPGDOQPMJQZTND-UHFFFAOYSA-N 422.532 1.595 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)c(C#N)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 1129471540 PPFPUYQNAKAREL-LPCRZITISA-N 418.247 1.810 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)C2 1131774586 IVWQUJSWMYBXHI-UHFFFAOYSA-N 414.465 1.709 30 10 HDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1134629993 YKOKCSQUAPGFSC-VYDXJSESSA-N 412.446 1.611 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(Cl)cc2C(=O)N2CCCC2)c(=O)nc1O 1136575588 BDQWGPUPHPQVIV-UHFFFAOYSA-N 415.837 1.739 30 10 HDEE CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)c2ccc(C#N)cc2F)C1=O 1137058378 MUUXEUODPPGESB-UHFFFAOYSA-N 409.377 1.443 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(NS(C)(=O)=O)cc2Cl)n1 1139833237 FUQOZYLYOFZAOP-UHFFFAOYSA-N 424.910 1.830 30 10 HDEE CO[C@@H]1COCC[C@H]1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1141569452 ITUMWTLQABCIPN-IFXJQAMLSA-N 415.469 1.956 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(N4CCN(C)CC4)ccn3)cc2C1=O 1151291138 SMGQMDZOXCJXMG-UHFFFAOYSA-N 405.458 1.868 30 10 HDEE CNC(=O)N(C)c1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1153547592 BCBPSGKAMZPDNF-UHFFFAOYSA-N 400.460 1.887 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3ccc(N(CC)CC)cc3oc2=O)CC1 1157010235 YRLCMLWWQLDWLJ-UHFFFAOYSA-N 424.501 1.146 30 10 HDEE Cn1cc(CNC(=O)NCCCn2ccc(O)nc2=O)c(-c2ccc(C#N)cc2)n1 1233990755 KLHLPCILKMVOKD-UHFFFAOYSA-N 407.434 1.111 30 10 HDEE C=CCn1cc(CNC(=O)c2cnn(C(C)C)c2I)nn1 1276652557 WPZYIIGAMCHMMO-UHFFFAOYSA-N 400.224 1.776 30 10 HDEE C#CCOCCC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1F 1281400749 QCJDKHBHXUHIJN-NVWIJCSXSA-N 400.450 1.521 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286363961 VSQFACPFRAOZKW-KCWXNJEJSA-N 416.547 1.926 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286384930 KSOJOJQYHSVPPM-IXDOHACOSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(=C)Br)[C@@H]1CCS(=O)(=O)C1 1286386288 YBAIJSLVYZPCRJ-CYBMUJFWSA-N 401.330 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC=C 1286432198 APVARZCILYWMEX-UHFFFAOYSA-N 410.503 1.035 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)O 1286466005 CWZXCABAEZJGDW-UHFFFAOYSA-N 413.526 1.309 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C 1286467156 RLCJXEZCKBWWGE-IIBYNOLFSA-N 402.470 1.634 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)C(C)C)CC1 1286481543 FCOIFSHYEWFYNE-QHCPKHFHSA-N 421.549 1.679 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(OC)c2)CC1 1286483584 QHLYUXLCXSHMJP-UHFFFAOYSA-N 422.533 1.407 30 10 HDEE C=CCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777572 GURBAVOIGXPQGX-SOUVJXGZSA-N 404.515 1.902 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCCC2)C1 1286799220 UDEYVEZZNKWOII-ROUUACIJSA-N 404.559 1.930 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)Nc1nc2n(c1C#N)CCOC2)C[C@H]1CCCO1 1289682675 DPPCTBOUXUKEJN-CYBMUJFWSA-N 405.455 1.640 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(C)COCCO2)n1 1290629565 TUSFDCJDKZPYPO-MOPGFXCFSA-N 403.462 1.387 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1291702361 DHQPDLFZGGBDIQ-LSDHHAIUSA-N 416.544 1.504 30 10 HDEE COc1cc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)ccc1C#N 1293245708 GTZCBEBLJYWWBL-UHFFFAOYSA-N 410.449 1.894 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1293731267 SVBXRPOQDARZOI-KFWWJZLASA-N 401.529 1.998 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@H]1CCCO1 1296701370 NVBQMQMHLHTWCH-DYSFYUKASA-N 406.479 1.471 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300394830 XREFLTQSOMMGIP-QGZVFWFLSA-N 424.505 1.932 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1300495220 FPGHPQQMQCNTIB-MRXNPFEDSA-N 423.583 1.410 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(F)(F)F)CC1 1300681592 VIJBPIZIQGYTRA-UHFFFAOYSA-N 400.449 1.760 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(=O)N(C)C2CCCCC2)CC1 1300710261 YQSCQYIKBUJVNL-UHFFFAOYSA-N 402.543 1.361 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2cc(C)cn2)CC1 1301106541 WERHZGDMTZKXIK-HNNXBMFYSA-N 407.544 1.496 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301249433 URXYYSREGJGHTL-GOSISDBHSA-N 413.526 1.629 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301506035 FPXFOEYGDWBDAQ-SJLPKXTDSA-N 412.513 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@]2(CCOC2)C1 1301586724 INGHZOYNUXQHBR-FQEVSTJZSA-N 417.535 1.482 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1301982170 PDRXYQJDODZUAN-HLIPFELVSA-N 420.583 1.933 30 10 HDEE Cn1cnnc1[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1303208534 YASNRPGJXQQPRH-SDMXJPDVSA-N 414.510 1.918 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3C[C@](C)(O)C(C)C)CC2)c1C#N 1304730352 DGKPXHGWYVAGDQ-NRFANRHFSA-N 412.542 1.803 30 10 HDEE Cc1nnc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)s1 1304779822 CDPZFTSNYSINGK-YPMHNXCESA-N 409.541 1.321 30 10 HDEE CCc1nnc(N(C)CCC2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306085507 CHSAWMBBSDFGHN-VHEBQXMUSA-N 402.499 1.620 30 10 HDEE C#Cc1cccc(N(Cc2cccs2)S(=O)(=O)CC2CN(S(C)(=O)=O)C2)c1 1309144658 JEWRZILRLGKCRK-UHFFFAOYSA-N 424.569 1.957 30 10 HDEE C=C(C)[C@@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 1309417515 AQXCCHFYXMAHQF-MLGOLLRUSA-N 408.492 1.783 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 1313191814 ZPBWLDDMEQLYLT-PGRDOPGGSA-N 415.490 1.794 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1315157262 RMNWYWQULQYFKY-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 1316537150 AVLGKRBMMBPGAT-STQMWFEESA-N 421.383 1.420 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2C#N)C1 1349230665 UVYPRTSKISXOHI-JTQLQIEISA-N 405.505 1.827 30 10 HDEE CN1CCn2nc(C(=O)N(Cc3ccco3)c3ccccc3C#N)cc2S1(=O)=O 1355397380 BMCZGLONOTYFRQ-UHFFFAOYSA-N 411.443 1.829 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1358937088 HYJKKWQTYYQRDW-UHFFFAOYSA-N 401.492 1.057 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1358948728 JPHBVJMCMYFRJN-IBGZPJMESA-N 424.530 1.543 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1358949143 UBSVNUIISOFBFZ-NXOAAHMSSA-N 407.540 1.117 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1358979652 TXVUEAQGTPQDTO-GHTZIAJQSA-N 421.501 1.584 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1359009884 BELOMMBLELSPAR-HNNXBMFYSA-N 407.515 1.817 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1359010395 OGCDSAXSQAMZSI-SJORKVTESA-N 423.583 1.897 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1359062744 RBGCGFVJASZAJI-HZPDHXFCSA-N 408.549 1.123 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359096634 FCEIGKNDIHJPOZ-SQNIBIBYSA-N 417.535 1.945 30 10 HDEE C=CC1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1359177734 ZMBKXHFAHDTQEV-UHFFFAOYSA-N 408.506 1.821 30 10 HDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1359190969 JJIJZDHGZWXGQM-QGZVFWFLSA-N 415.542 1.693 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](C(N)=O)C1 1359229023 WCIFQZAVLCGTDD-OAHLLOKOSA-N 404.540 1.928 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359229776 UTKXQAQUKVNGBC-UZLBHIALSA-N 407.515 1.190 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1359297887 GEERPHYVMYNUFC-OAQYLSRUSA-N 422.493 1.128 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)C1 1359323088 IBPMENJYXIMOHY-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1360483234 UYTIUJJILKYGQA-DOTOQJQBSA-N 418.523 1.846 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)CCOC(=O)CNC(=O)C(C)(C)C 1361287778 BPKQEGDPMCUDJL-UHFFFAOYSA-N 412.450 1.482 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)c2ccc(C(=O)N3CCOCC3)cc2)n1 1436597439 HIQBBOKXXNZLQZ-UHFFFAOYSA-N 402.414 1.864 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1439441335 MKOJLCVWHQUYAC-GOSISDBHSA-N 419.441 1.786 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1451177909 HKDQLPHWKKISHK-ZWKOTPCHSA-N 420.487 1.114 30 10 HDEE C#CC1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1452178168 QLPXTXRSSIXIDK-BRWVUGGUSA-N 410.536 1.528 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2O)C(=O)OC)c1 1453791365 TYBDRFAFFWPPJJ-QGZVFWFLSA-N 418.471 1.371 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)CN(C)C)cc1S(=O)(=O)NCC#N 1454131743 WKMSRKJJWXDIOS-FUHWJXTLSA-N 406.552 1.989 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc([C@@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 1458047206 CTAKXIJDLMGAJP-GFCCVEGCSA-N 405.480 1.149 30 10 HDEE O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(C#CCO)c1 1463612235 GKUHKUTXWSZCQM-UHFFFAOYSA-N 400.456 1.304 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2cncs2)C(=O)OC)c1 1464429897 NPLACGASWKVUDV-HNNXBMFYSA-N 409.489 1.122 30 10 HDEE COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1464970029 HTFMODAAUJHPLK-UHFFFAOYSA-N 422.445 1.210 30 10 HDEE C#CCN(CC(=O)N1Cc2cccnc2N2C[C@H](OC)C[C@H]2C1)C(=O)OC(C)(C)C 1471121391 FPYFKHBJAVPWEN-ZWKOTPCHSA-N 414.506 1.888 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 1473706676 BIHATODVOPIRTB-CWVNLOTRSA-N 400.504 1.861 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)ccc1F 1476577728 AAOZHFAWLIZIDZ-CQSZACIVSA-N 419.438 1.686 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3C[C@@H]4COC[C@@H]4O3)c(C#N)c2N)cc1 1479271108 IRJXCWYHQDUZDT-MDYRTPRTSA-N 424.505 1.670 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1507630642 DWYWACLMWPEZSN-INIZCTEOSA-N 417.535 1.717 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507633391 DHYVZDDAVJHYKQ-QAPCUYQASA-N 405.568 1.340 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1507799777 SIHNJKWINFAXRM-VYDXJSESSA-N 421.523 1.786 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1507832626 KEJCJAYKFUXARZ-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1507845396 ZYUCPBHJUPIOKG-KRWDZBQOSA-N 403.527 1.871 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)n(C)c1=O)C1CC1 1507992362 CGHNJRCAYZBSAE-MRXNPFEDSA-N 417.535 1.390 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cnn(C)c1 1508083704 AAIGURRLKKAFNF-UHFFFAOYSA-N 400.512 1.306 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517221961 FQODWZXISYWVRJ-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1517670784 PLCTWWITRRIFQC-HRAATJIYSA-N 408.462 1.294 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)OCc2cc(Br)cc(C#N)c2)C1=O 1524684075 YTWODHKHUYQYAF-CQSZACIVSA-N 409.236 1.776 30 10 HDEE Cc1cc(C(=O)NCCS(=O)(=O)CC(F)(F)F)nn1-c1cccc(C#N)c1 1531667289 XTJXFYSFJZZJSX-UHFFFAOYSA-N 400.382 1.759 30 10 HDEE Cc1oc(C(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)cc1S(=O)(=O)N(C)C 1533941945 GWOCMQPSQNNILK-UHFFFAOYSA-N 414.447 1.851 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](C#N)c1cccc(Br)c1 1535447332 XUGLASJSHFZDLF-AWEZNQCLSA-N 423.311 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1539253369 QOPWCZPKZZMRGX-IBGZPJMESA-N 418.906 1.221 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C#N)o1 1539307220 QDXXHNGKPFTQIX-UHFFFAOYSA-N 423.440 1.897 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@]1(N2CCOCC2)CCSC1 1539312353 OWDUMCIRKQUMNH-JOCHJYFZSA-N 424.574 1.944 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1539343084 DBZMGJKBUJKVHD-LSDHHAIUSA-N 403.508 1.524 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1539512222 ALEXQONNBNSYCP-MRXNPFEDSA-N 412.581 1.900 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539947164 JZENSHUFBNNPRJ-MRXNPFEDSA-N 409.556 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](OC)C1 1540869687 UPVFTNBFBLBQBS-CYBMUJFWSA-N 409.450 1.121 30 10 HDEE CCS(=O)(=O)N[C@@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1542217355 YRUVKTPWFSCLII-JTQLQIEISA-N 411.534 1.968 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1545322908 ACCFVNAWAGVSHD-GJZGRUSLSA-N 411.510 1.651 30 10 HDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1546026155 FNZCATWDRWJXTP-QGZVFWFLSA-N 412.494 1.319 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1554481082 DINSFMHFVMWRNM-ZWKOTPCHSA-N 410.478 1.337 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1555636027 FRHGPLHBKGRPCP-OXJNMPFZSA-N 422.505 1.847 30 10 HDEE CC(C)OCc1nc([C@@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)no1 1556891017 CWTZKWUQMNDZHN-LLVKDONJSA-N 410.427 1.922 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](c3ccc(F)cc3)C2)c1 1558211861 JWAPWVRMPZCCQB-LJQANCHMSA-N 401.463 1.524 30 10 HDEE C#CC1(O)CN(C(=O)c2csc(S(=O)(=O)N3CCc4ccccc4C3)c2)C1 1558691510 LHHNCFRBMZOPOW-UHFFFAOYSA-N 402.497 1.315 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCC(=O)Nc1ccc2c(n1)n(CC)c(=O)n2CC 1558983147 UWQIAIJKHQDTCF-HIFRSBDPSA-N 401.467 1.416 30 10 HDEE N#Cc1cn(CCNC(=O)COc2ccc(Oc3ccccc3)cc2)c(=O)nc1O 1559018420 CIXDNHXTPLEMHJ-UHFFFAOYSA-N 406.398 1.808 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc1 1559507217 RICSHMWZYGUGHW-FQEVSTJZSA-N 415.534 1.843 30 10 HDEE CC(C)(C)OC(=O)[C@@H](C1CC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1559640068 KZQXGGZAWATPQS-GOSISDBHSA-N 405.520 1.985 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1566182796 CFNTVFOVJVMGNU-RBUKOAKNSA-N 405.520 1.561 30 10 HDEE CN(C)CCN(CC1CCCCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1583430606 DEBPSYRHWWHAAO-UHFFFAOYSA-N 406.552 1.807 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c(=O)n(C)c1=O 1586719480 ADKVETRASDUQOK-BQYQJAHWSA-N 403.398 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCCO 1587568345 PDRKDYIAKAZHKU-BBTUJRGHSA-N 405.543 1.235 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1587946329 YEIHDRMSFYSGNO-UHFFFAOYSA-N 409.450 1.185 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1588054451 NQGYYFNOFCAJCK-IRXDYDNUSA-N 422.551 1.225 30 10 HDEE N#C[C@H]1CN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CCN1C1CC1 1588140778 OAUVBMFIJHLVEC-ZDUSSCGKSA-N 405.361 1.232 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(C)CN(C)C1=O 1588200133 DOEKMIQQCOEJKI-QHCPKHFHSA-N 421.501 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588224383 XQGKKEGJTRYVNX-RTBURBONSA-N 415.563 1.823 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(F)c1 1588266608 SPKQNFYDPKYYKR-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N(C)C 1588574426 HMGAWNMCIKWKGA-UHFFFAOYSA-N 412.494 1.321 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CN(CC(C)C)CCO1 1588695452 HQTVDFVKQSIIRF-RBUKOAKNSA-N 405.543 1.572 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cccnn2)CC1 1589047932 NQRQHPVWOOKMRQ-UHFFFAOYSA-N 407.507 1.218 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@](C)(C(N)=O)C1 1595570120 YCPYPFAUOQGBFY-JOCHJYFZSA-N 421.505 1.285 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC[C@@H](C)C2)C1 1595723529 XPMPAULSJIBGBI-KURKYZTESA-N 402.543 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1595812544 XTVZLMNMSNWYHY-SFHVURJKSA-N 404.471 1.307 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1595884810 UEXHOQDTYYRXQD-JKSUJKDBSA-N 413.613 1.630 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1595895740 PQGVDFFGPHRNKR-UHFFFAOYSA-N 420.583 1.767 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)/C=C\c3ccc(F)cc3)no2)cn1 1597272149 YQCJUGBFFHCQSQ-OUOZUETKSA-N 411.393 1.792 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)NO1 1602917330 AUMLQGAXPRMQPQ-BLVKFPJESA-N 413.471 1.573 30 10 HDEE CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607488374 HNBAAUPRYLXFCP-IBGZPJMESA-N 405.455 1.145 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1OCC[C@H]1C 1608579075 JNPBUDVACTWGDY-HYVNUMGLSA-N 401.515 1.018 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CC(Oc3ccc(C#N)cc3)C2)cs1)C(N)=O 1611238132 GUDXJMPQTWMJHH-LLVKDONJSA-N 402.501 1.813 30 10 HDEE CCC[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1614344106 APDQPFPQLANCFN-FFZOFVMBSA-N 407.515 1.599 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1619488665 DSGHSEPEEYCBNB-ADAWSYLGSA-N 411.503 1.437 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 1620658715 XFDYVGQXYGOKGE-SANMLTNESA-N 413.569 1.013 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 1624926650 DXSBFZZNNIZGQI-UAGDZQSXSA-N 401.492 1.966 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCCCCCS(N)(=O)=O)C2=O)cc1 1626694514 CGAJMMXZXGGZGN-QGZVFWFLSA-N 406.508 1.014 30 10 HDEE CCN1C(=O)C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1cccc(C)c1 1627265857 ULGYXQHSWAMTPO-GHUBPENPSA-N 410.474 1.547 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC(C)(C)C)C2CCC2)cc1 1628104038 KQAZFQQPCQEFQT-UHFFFAOYSA-N 406.504 1.935 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C2CC2)n[nH]1 1628397671 BCSKOEOUFVFCMO-CQSZACIVSA-N 416.507 1.596 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1629536872 GWXCFTXZAKEGIA-UHFFFAOYSA-N 407.511 1.394 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC(=O)NC2CC2)cc1)C1CCN(C)CC1 1629845586 GDIUYASFEKIECE-UHFFFAOYSA-N 412.534 1.626 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCOCC3)nn2C)cc1 1631474127 DOTZPZNFCBMREG-UHFFFAOYSA-N 402.476 1.478 30 10 HDEE COc1ccc(CC(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882417 IMSHQLKZGZGNLL-SJORKVTESA-N 421.519 1.409 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)C1CCOCC1 1632739804 RUVGDQHQNZHKOB-CABCVRRESA-N 405.476 1.368 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1cccc(OCC#N)c1 1633472787 DFNRYOWXROTION-SFHVURJKSA-N 418.494 1.871 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@H](Nc3ccc(C#N)cn3)C1)C2=O 1635415963 WHRGBZKIBGXUMS-ZWWNWMABSA-N 424.505 1.857 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2nccs2)C1 1636755730 GNIQVPXBLQLJRQ-CYBMUJFWSA-N 404.517 1.978 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1638126098 CYYROOIPYZYZEP-KKUMJFAQSA-N 400.483 1.689 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@]2(CCSC2)C1 1638718063 QVLGNRUUDMDMQZ-SFHVURJKSA-N 409.533 1.240 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H]4NC(=O)OC[C@H]4C3)C2)C1 1639599129 UIAMJPZUXHWEFL-VVFNLNFGSA-N 418.494 1.730 30 10 HDEE C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640447011 LJSQMEVXFCFATH-UZSYQUHHSA-N 423.473 1.976 30 10 HDEE C#CCCN(CCOC)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1641773561 OIFJHMNZOYLLQA-CYBMUJFWSA-N 406.426 1.871 30 10 HDEE COC[C@@]1(C)CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1643174561 HHDLTTURPMMQIA-NRFANRHFSA-N 413.478 1.813 30 10 HDEE C[C@@](C#N)(NC(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O)C1CC1 1644283111 FHAFYFRTLVZUKF-HNNXBMFYSA-N 412.265 1.402 30 10 HDEE N#CC1(C[C@H](O)CN2CCCN(S(=O)(=O)c3ccccc3)CC2)CCOCC1 1644406525 GUZWMVDQSHZPCK-SFHVURJKSA-N 407.536 1.454 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)C(F)(F)c2ccccc2C#N)cn1 1645240395 WPTWWZPSHDJROQ-INIZCTEOSA-N 408.430 1.772 30 10 HDEE CCc1ccc(C#CC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1648459025 SMSIINZQLDZQBM-WBTXTPOCSA-N 403.500 1.616 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1653632720 BFRLSJOJXGQPCO-UHFFFAOYSA-N 402.476 1.492 30 10 HDEE COC(=O)[C@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H](C)c2ccccc21 1653799509 XZLFBEMMHCKHGO-ZSEKCTLFSA-N 410.430 1.293 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1660309973 NNBDBFYRAIKQDG-IIMJZQEZSA-N 421.519 1.141 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1cc(C(=O)N(C)C)ccc1OC 1661584163 ZRGKSQKWCJILRF-UHFFFAOYSA-N 402.472 1.888 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1 1662820799 HJNUSFLEKIKBDC-CYBMUJFWSA-N 410.462 1.732 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1Br 1665044345 FPVUSDMXKCZIDX-UHFFFAOYSA-N 415.313 1.627 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H](c2ccc(C)o2)N2CCOCC2)CC1 1666148075 ABXKROBRJNSGFX-MRXNPFEDSA-N 404.467 1.450 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SC(F)F)CC1 1667281084 ZLHMGUMVNNPWJF-UHFFFAOYSA-N 404.464 1.618 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)cc2cccnc12)[C@@H]1CCS(=O)(=O)C1 1674580977 LKWZQVYFHVGVGW-OAHLLOKOSA-N 401.444 1.676 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1685776255 OGNZXUYCKQCEHL-KBPBESRZSA-N 406.449 1.896 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(=C)C)CC1 1690110505 OYMMRNUUCQXMJB-UHFFFAOYSA-N 409.494 1.273 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690173116 WOTKEEGGCAPVLK-UHFFFAOYSA-N 411.597 1.678 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690225467 ACBRSMLHOHSFPX-CYBMUJFWSA-N 406.288 1.398 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1690308481 PCMFIFJMEPTJLI-UHFFFAOYSA-N 401.515 1.624 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCS(=O)(=O)NC)CC1 1690404447 DLNZZXSXXJOPHL-UHFFFAOYSA-N 410.931 1.945 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1690609277 JJSNYZJUJGTKSQ-IBGZPJMESA-N 418.523 1.432 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1695866843 AYXFOFYCHHLLMA-OXQOHEQNSA-N 415.521 1.147 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1698021912 AGGHZVRNTKAHJB-IBGZPJMESA-N 403.508 1.679 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(Cc2ccsc2)nnc1N1CCOCC1 1698520384 JISOQQJLOUUYJN-ZCXUNETKSA-N 414.491 1.293 30 10 HDEE C=CCOCCCC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1701333207 SYOPFSJAVOHAEF-UQTLAFAOSA-N 404.507 1.223 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705524047 FHQXFYITPAQDBX-SJLPKXTDSA-N 402.499 1.727 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[S@](=O)C(C)(C)C 1705620654 AMOHAPIYUWBUIF-NDEPHWFRSA-N 409.556 1.147 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CSCCS2)CC1 1705648393 VJYWQFLQZSKHBG-MRXNPFEDSA-N 405.593 1.970 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1705892594 RIGHKBKPLIMOFC-IYBDPMFKSA-N 416.526 1.890 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1705923895 PIUOPJCKPHTOAH-QBNCKDSPSA-N 414.510 1.784 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)C1 1705925600 RIAUHTXGCKSXHA-SJORKVTESA-N 410.540 1.388 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1705946224 BWQMLDZXRPSXBE-HNNXBMFYSA-N 412.581 1.859 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC(=O)N1C 1708176393 XWZFQECDKHTLNA-CQSZACIVSA-N 401.430 1.997 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722320172 SVUBRBGULSZGRT-QZTJIDSGSA-N 421.567 1.288 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1722353272 YUKIMIXLHPEMMK-HNNXBMFYSA-N 414.514 1.639 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1nccn1C(F)F 1722387611 NIJDOHCKZKXQJD-UHFFFAOYSA-N 401.421 1.617 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC1CCN(C(=O)OC)CC1 1722428141 SCKAJXCTMCQKCX-QGZVFWFLSA-N 405.499 1.694 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCCS1(=O)=O 1722467798 CVCNLJORUCMLMC-SQGPQFPESA-N 424.567 1.962 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1722553679 DZLVCISHTSKZDR-CYBMUJFWSA-N 420.926 1.833 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(OC)C2CC2)C1 1722719789 ZXQLRIMOXXBIBI-WRWLIDTKSA-N 424.567 1.777 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1723773962 JJVOYPZMPPJYNI-RMYFCYLKSA-N 406.450 1.605 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1723866355 BNCBYGDQCSLQBM-JKSUJKDBSA-N 423.587 1.360 30 10 HDEE C[C@@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1726576941 CODSXZHVWXHYMS-QGZVFWFLSA-N 407.522 1.875 30 10 HDEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1730692995 PXUMMAPJZBQGHD-INIZCTEOSA-N 403.531 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740547245 QYQWHBUJKWKDKC-CQSZACIVSA-N 413.482 1.487 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1740590906 KQLWSSLCGREGRA-IAGOWNOFSA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1740616227 WIKKPJBXDZGOJH-MRXNPFEDSA-N 407.540 1.331 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(O)cc1 1740645733 KXHDKNXYMHBOLQ-OAHLLOKOSA-N 401.492 1.105 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCOC(C)C)CC1 1740699256 ZPTXYFLZNQJZNF-UHFFFAOYSA-N 402.543 1.361 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1 1740767792 ZHEOZTDJVMWGDH-HZPDHXFCSA-N 410.588 1.775 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740792969 NSDXFSMEPOJFHB-QGZVFWFLSA-N 418.542 1.517 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740811289 PTRXRPJZDVHQOG-ZIAGYGMSSA-N 408.890 1.301 30 10 HDEE C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740828535 ODSOVDGBKWTVEU-NRFANRHFSA-N 416.547 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](COC)C1 1740955310 PNZVMEWCCCXSBX-OAHLLOKOSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCCCC2)CC1 1740960047 JVORTMFKJWPFNG-KRWDZBQOSA-N 402.543 1.539 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1742905162 AJNZCFZCUBXCNE-WIEQDCTASA-N 410.478 1.024 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1744052185 YSXUBRORGOTGAV-KHYOSLBOSA-N 408.478 1.178 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2ccn(C)n2)CC1 1748282135 CSUTXZRKTHIVAG-UHFFFAOYSA-N 419.493 1.254 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1748666892 JZYKIJMODDSFEG-UKRRQHHQSA-N 412.460 1.961 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCCS1(=O)=O 1748776751 OXZBADUIPCHBSU-INIZCTEOSA-N 403.464 1.890 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(C)CN(C)C1=O 1748803564 WXWBVQIRKYAPCD-YCRPNKLZSA-N 416.526 1.898 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748811385 FRQQAMHCRYARIH-HOTGVXAUSA-N 418.523 1.177 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCN(C)C1 1748968819 MPPBSFUXGCVYHI-QHCPKHFHSA-N 422.533 1.434 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC1 1748991486 YNVPGXYXFDJGNV-LJQANCHMSA-N 422.533 1.956 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1749082985 KJUXBVXMHUCQRZ-MNOVXSKESA-N 414.260 1.439 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1749131038 PRSHJCUYLKXWSO-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749620675 JXXWTVBVFNWHLW-MRXNPFEDSA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCCC2=O)CC1 1749658184 HOSZVKKHBAPEMF-UHFFFAOYSA-N 412.494 1.740 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C)n(C)c1=O 1760204819 DOFCZYBHWJYDHQ-UHFFFAOYSA-N 406.515 1.762 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1760220310 FXYWMSIAKKSNOL-UHFFFAOYSA-N 423.492 1.753 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760332601 HWCBUFYLEKWASO-INIZCTEOSA-N 406.556 1.968 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760345903 YQTROBLAJHIRMI-RLLQIKCJSA-N 416.570 1.737 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760356105 GBDJZXYUIMNXQQ-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1760439245 ZTJSGFKZCJDLMW-CVEARBPZSA-N 421.509 1.572 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760713816 SHJISNLYBWAJGZ-CALCHBBNSA-N 410.478 1.541 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1761042629 RVCYMBNISURAHQ-HOTGVXAUSA-N 412.485 1.561 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)o1 1764606697 XRRDUFTZLQPZKZ-HUUCEWRRSA-N 404.471 1.638 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1765356713 DMPYLBVLVMOLQT-UHFFFAOYSA-N 408.466 1.615 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1767158239 DEXGQTRBOSAROG-RTBURBONSA-N 417.558 1.276 30 10 HDEE COCCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1771267699 UNICJINNBIVUMP-QGZVFWFLSA-N 416.438 1.635 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCC2(O)CCOCC2)CCO1 1771538248 AALPCWQOACZFAZ-INIZCTEOSA-N 403.508 1.591 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC(F)(F)F 1772845311 YPGFHPNHJKGEIV-LLVKDONJSA-N 424.449 1.555 30 10 HDEE Cn1cnc2c1CC[C@H](C(=O)O[C@@H](COc1ccc(C#N)cc1)CN1CCOCC1)C2 1851216045 SNIOGGFDAKAYIM-AZUAARDMSA-N 424.501 1.720 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)c1F 1851235617 QKTRSVRFGBEPSP-KRWDZBQOSA-N 413.380 1.961 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)O[C@H]1CCN(Cc2ccc(F)cc2F)C1 1851853578 XVCHGHHBEIMRAW-AWEZNQCLSA-N 404.373 1.225 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2nncn2C)c2ccc(OC)c(F)c2)CC1 1853587353 HMCNVBXRCFJZPY-UHFFFAOYSA-N 423.470 1.869 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(C(F)(F)F)CC3)C2=O)CC1=O 1853812634 RZQGBXNRDWZEOB-HIFRSBDPSA-N 401.429 1.813 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1CCCc1cnc2ncnn2c1 1854234320 KTOMVVCSSGRNSR-OAHLLOKOSA-N 403.446 1.302 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)c4ccno4)C3=O)CC2)c1 1854364322 JAVWMNNJJKPAFM-KRWDZBQOSA-N 409.446 1.863 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1CC(=O)N1CCCCCC1 1854542610 GQUDUSKRFTYJTO-SFHVURJKSA-N 410.518 1.953 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)[C@H]1C 1854751451 LOULYLFIOCGUCP-QGZVFWFLSA-N 419.547 1.723 30 10 HDEE Cc1ccc(-c2cc(C(=O)N3CCN([C@@H]4CCN(CCC#N)C4)CC3=O)no2)cc1 1855098246 PDDKVJQFCPOYNH-GOSISDBHSA-N 407.474 1.922 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCCCN3C)C3(CCCC3)C2=O)CC1=O 1855757065 UQVGRFIPTIFDTO-RBUKOAKNSA-N 416.566 1.489 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCC2 1856288258 SOSSUSYJUKVYHQ-UHFFFAOYSA-N 409.552 1.360 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(C)Cc3nc(C4CCCC4)no3)C2=O)CC1=O 1856293621 QIVWXVLBKAUWBK-CVEARBPZSA-N 415.494 1.321 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856496141 AVIDIOUVYBAXFH-CHWSQXEVSA-N 400.426 1.604 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1856551664 RPDADDYWOKOYJJ-GOSISDBHSA-N 421.494 1.743 30 10 HDEE CC(=O)N(C1CC1)C1CCN([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1856798223 LMXCXRCBKNOTJZ-OAQYLSRUSA-N 408.502 1.704 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cncn1C 1857002102 HHFVYSSCBVIXAJ-OAHLLOKOSA-N 414.487 1.879 30 10 HDEE CC(=O)N1CCN([C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860616828 SSSFAVYKVCRDCL-NRFANRHFSA-N 401.507 1.426 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(CCC)nn2C)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1864948067 ICZQKCCCAVOQIX-OAHLLOKOSA-N 413.434 1.983 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 1866634565 ZWTOUJVNGVTLKP-AWEZNQCLSA-N 414.487 1.874 30 10 HDEE C#CCOc1cn(CCCN(CC)CC)c(CN(CCOC)CCOC)cc1=O 1870561834 FRAHNJLPAMVRLC-UHFFFAOYSA-N 407.555 1.687 30 10 HDEE Cc1nc([C@H](C#N)C(=O)CN(CCO)Cc2ccccc2)sc1C(=O)N(C)C 1872797415 KEVOLUQPVHNVJC-MRXNPFEDSA-N 400.504 1.824 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)cc1 1874431703 XZJPDDJYGOWSSJ-KEBDBYFISA-N 404.496 1.463 30 10 HDEE N#Cc1cc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 1882497514 KEMHHKNIVZZAAG-QGZVFWFLSA-N 420.418 1.992 30 10 HDEE CCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cn1 1889303293 GMONLWWIRHZOFQ-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1890081697 FRTYTLZQURRZBK-UHFFFAOYSA-N 400.479 1.467 30 10 HDEE Cn1cc(-c2cc(B3OC(C)(C)C(C)(C)O3)on2)c(I)n1 1929103046 BCEUUSBEAZOLFS-UHFFFAOYSA-N 401.013 1.979 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCCn2cc(I)cn2)c1 1963524683 PGJUYTOFOUPGHZ-UHFFFAOYSA-N 402.217 1.338 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)COC1 1985102981 ONVXOXXDJOODAG-CHWSQXEVSA-N 408.304 1.831 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC(C(=O)O)CC2)CN(C(=O)OC(C)(C)C)C1 2162442685 DXMGYWNVCDRMSF-UHFFFAOYSA-N 403.501 1.183 30 10 HDEE Cc1sc(CN(C)C(=O)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2237642682 ZBRGGARYQOQYFH-UHFFFAOYSA-N 401.359 1.667 30 10 HDEE C[C@@H](CNS(=O)(=O)CC1(C#N)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446246 GIMOYBITGWRJNT-KBXCAEBGSA-N 401.529 1.608 30 10 HDEE CN(C(=O)C#CB1OC(C)(C)C(C)(C)O1)[C@]1(CNC(=O)OC(C)(C)C)CCOC1 2243380270 WRRSXHQRZGKNAA-FQEVSTJZSA-N 408.304 1.763 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2cn(C)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2247845803 VWZNGWJNISOOJC-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCONC(=O)OC(C)(C)C)n1 2247913983 DPHPNZBJCJIJHO-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CC1(C)OB(c2ccc(O)c(C(=O)NCC(=O)NCc3ccccc3)c2)OC1(C)C 2248028261 HJSYRBFNTVNKEF-UHFFFAOYSA-N 410.279 1.738 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248413269 UVNBRQOTEKJSTM-MRXNPFEDSA-N 421.347 1.727 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248439506 AIECFKZAVIPPQD-ZDUSSCGKSA-N 421.303 1.595 30 10 HDEE C#C[C@H](CC(C)C)NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258178791 CVPDCTWFACMLNB-IAGOWNOFSA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCC4(C3)OCCO4)cc2)OC1(C)C 2267463487 ASZMMVQMCXSSKY-UHFFFAOYSA-N 409.313 1.264 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269032072 OCGFGHWJRJXZFM-VIFPVBQESA-N 409.722 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)C(F)(F)C1 2279114282 BXZCEGHKMTVCQW-QWHCGFSZSA-N 408.471 1.701 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2C(=O)NCCCS(N)(=O)=O)OC1(C)C 2282019989 SSURJMMSZAEQHW-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE Cc1nc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282022682 VLUGZQOQGTWLHJ-JTQLQIEISA-N 402.347 1.256 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCNC[C@]3(C)CO)sc2Cl)OC1(C)C 2282058872 ARTMUBPRQXJRBU-QGZVFWFLSA-N 400.737 1.497 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282309538 GVWHMAXOBPQECU-LLVKDONJSA-N 402.347 1.111 30 10 HDEE COC[C@H](CCO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282324426 OZIMIBWJEXVXSE-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1(CO)CC1 2282492343 ONQKSRKZRDUMKO-NSHDSACASA-N 402.347 1.023 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)CN1 2282496478 BMOIBTSNJZYZCA-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C[C@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2282499853 GDFQBFSARMPLCS-NSHDSACASA-N 403.375 1.913 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@H](F)[C@@H](CO)C2)OC1(C)C 2282501427 WYBKZJQYDNCHHR-OLZOCXBDSA-N 405.322 1.139 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CC[C@H](CO)C2)OC1(C)C 2282504786 UOQIVVKEWFOPBR-NWDGAFQWSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2OCC[C@@H]2F)OC1(C)C 2282507447 HURWWHVGSRXFGW-QWHCGFSZSA-N 405.322 1.594 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNCC(F)(F)C3)s2)OC1(C)C 2282849514 CEXUGLUEWAXVMY-UHFFFAOYSA-N 408.301 1.277 30 10 HDEE C[C@@H]1CC[C@H](CO)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859874 RPGBMPOOEJBMGQ-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CCN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872319 UZONITYGCJANLA-ZIAGYGMSSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2OCCCO2)OC1(C)C 2282877523 SILSDXBIBMWAQJ-UHFFFAOYSA-N 403.331 1.230 30 10 HDEE CN1C(=O)C(=CNc2cc(Cl)cc(Cl)c2)C(=O)c2c1n(C)c(=O)n(C)c2=O 2297564839 BTRNNVYQQHNZHB-UHFFFAOYSA-N 409.229 1.546 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCC#CBr)(C(=O)O)C[C@@]12CCOC2 2306581098 AKTDURMKLXNNQO-HZPDHXFCSA-N 403.273 1.555 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1ncc(Br)cc1C#N 2312324613 GSQNMSUWIYULFH-XQQFMLRXSA-N 413.272 1.469 30 10 HDEE CN[C@@H](C#CC1(OC)CCC1)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2362710998 OLEPPQDAGDEGJE-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365207648 PVXYGZXRUFJWEX-LBQQOPDSSA-N 400.541 1.195 30 10 HDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367810753 ATELNHNPKCUDPM-SPYBWZPUSA-N 400.541 1.292 30 10 HDEE Cc1nc(C(=O)N[C@H]2CC[C@@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2368481886 UVEFSRIPEYAOIZ-QWRGUYRKSA-N 400.331 1.056 30 10 HDEE C=CCn1c(N/N=C\c2ccc(Br)cc2)nc2c1c(=O)[nH]c(=O)n2C 33909287 HOMIKQAHKYZDDI-NVMNQCDNSA-N 403.240 1.818 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)Cn2cnc3c(cnn3C)c2=O)cc1 56300640 AQNQOHAVTDLHNK-UHFFFAOYSA-N 406.446 1.583 30 10 HDEE COC(=O)c1cc(N2CCOCC2)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427101992 DTOSGEKUNUWDED-UHFFFAOYSA-N 416.459 1.686 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)cc1C#N 427789852 OSGPROCBZDWJTG-UHFFFAOYSA-N 414.896 1.966 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 436773915 USHZAKDTZYBZNN-UHFFFAOYSA-N 415.471 1.857 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)cc1OC 439903616 PRIPFEFDFJMMRB-USJZOSNVSA-N 403.431 1.825 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)c1 442917326 GPLOUMCVYWMLMJ-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 443320068 LTGSHNUIJQTHHZ-UHFFFAOYSA-N 412.490 1.473 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)C3CCN(c4cnccn4)CC3)cc2C1=O 447667323 JWRKONAAXQBVNT-UHFFFAOYSA-N 405.458 2.000 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2cnn(CC(=O)NC3CCCC3)c2)cn1 461755252 LCTZKKDIDYBMKG-UHFFFAOYSA-N 404.434 1.647 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 462091952 KRCSKBYIBWUDQG-MRXNPFEDSA-N 419.449 1.185 30 10 HDEE N#CCN1CCC(CNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 464969931 ACPXCZTZXNIXMJ-NRFANRHFSA-N 405.502 1.774 30 10 HDEE C=CCCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 468392081 KCGABJYGYLJRGK-UHFFFAOYSA-N 423.535 1.391 30 10 HDEE CCN1CCN(c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2F)CC1 500029084 JNKPMFIDXWETTI-UHFFFAOYSA-N 417.529 1.656 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1=O 501329152 FZRQWAUAZNFKLL-XFJVYGCCSA-N 409.471 1.746 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)Nc1ccc2c(c1)OCO2 506864505 BCOOKJAPSGKWEG-UHFFFAOYSA-N 416.415 1.865 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCS(=O)(=O)c2cccc(C#N)c2)C1 533146559 BFGNMUWUWQHHNH-QGZVFWFLSA-N 421.519 1.065 30 10 HDEE C[C@H](C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)n1cnc(C#N)n1 538408631 ZRSBUTCXKBDJJY-CQSZACIVSA-N 414.491 1.475 30 10 HDEE CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 546687738 NMQWCYCVGDMOAV-ZDUSSCGKSA-N 419.511 1.812 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCSC)c2=O)c1 558041401 OFXIESBOWAJHSV-UHFFFAOYSA-N 417.556 1.713 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2nc(C(=O)O)cs2)cc1Br 565576209 FRFVTTCRNRZVSB-UHFFFAOYSA-N 402.251 1.954 30 10 HDEE Cc1c(CN(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cnn1C 565579571 VVHXWVHHJBXUSA-UHFFFAOYSA-N 423.477 1.629 30 10 HDEE N#Cc1cc2c(nc1N1CCN(CCn3nc4c(cc3=O)CSCC4)CC1)CCC2 585588870 XWLTXJWFWCQXCN-UHFFFAOYSA-N 422.558 1.610 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 590914130 HHUJJIMKGCAGIA-QGZVFWFLSA-N 411.527 1.364 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cn1 611608765 ONROCULTLMABDK-KRWDZBQOSA-N 406.489 1.548 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)Nc2ncccc2OCCCC#N)C1=O 615555378 CIFGSMXVEILQGM-DJJJIMSYSA-N 400.439 1.606 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 669817819 SGKJWMUXNVHKFM-SWLSCSKDSA-N 408.532 1.124 30 10 HDEE CC1(C)OB(c2cc(I)ccc2S(N)(=O)=O)OC1(C)C 694962989 KJULMGCVAWHPEW-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 717734067 VSMSWJSVBFKJTF-MRVPVSSYSA-N 412.103 1.456 30 10 HDEE C=CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726577846 BGLWLPCPPMRJDD-HNNXBMFYSA-N 419.510 1.795 30 10 HDEE CC(C)c1noc(CCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 742597542 DKWLGVFUBIXNFT-ZDUSSCGKSA-N 419.507 1.759 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1Cc1ccccc1 743725189 HSBHSYZLJFZYHI-UHFFFAOYSA-N 424.551 1.752 30 10 HDEE COc1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc(NC(C)=O)c1OC 744143364 BSECDUJPMBUOMX-UHFFFAOYSA-N 417.443 1.961 30 10 HDEE CC(C)CN(C(=O)CON=CC(=O)Nc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 749752776 UTPYPFLFXRPMGI-INIZCTEOSA-N 413.471 1.438 30 10 HDEE C#CCN(C(=O)CCC(=O)c1ccc(OC)c(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 750814981 KPRZDRNFZQLNBD-CQSZACIVSA-N 423.487 1.324 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 751727911 BHNWYCXLSACGKP-NRFANRHFSA-N 423.429 1.028 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cncc3ccccc23)c1=O 758040945 ODUAJSOQFFGQRW-UHFFFAOYSA-N 402.479 1.119 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cnc(C(C)C)s2)c(=O)n1Cc1ccccc1 758577692 NQEXXJVSQBKVNF-UHFFFAOYSA-N 424.551 1.787 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCC1 771077237 UEGIAFYFRSMMJP-INIZCTEOSA-N 421.494 1.747 30 10 HDEE CCc1ccccc1N=C1S[C@H](CC(=O)NC)C(=O)N1CCc1nnnn1C 771540971 VEALJRSWQYXWOZ-CQSZACIVSA-N 401.496 1.083 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)cn1 772280621 YKEXZOKOSBYYJR-MRXNPFEDSA-N 412.515 1.504 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)CNC(=O)c3cc4c(s3)CCCC4)nc12 783387816 DWBKCSQURNYPQB-UHFFFAOYSA-N 411.443 1.720 30 10 HDEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)c1ccc(F)cc1 786803968 KSTIXHOEGWTNJM-HOTGVXAUSA-N 402.813 1.834 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 788693856 GVWARGBSDGFEBV-UHFFFAOYSA-N 413.503 1.598 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1ccc(C#N)c(F)c1 791306789 GXQFYYCNKFUIPW-UHFFFAOYSA-N 407.423 1.414 30 10 HDEE CN(C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(C)(C)C#N 796427019 VKGKGHARNZRINT-WMLDXEAASA-N 403.483 1.412 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc1OC 800632060 BJUHGTYSMDSCES-MRXNPFEDSA-N 412.508 1.870 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)cc1 802612219 CSGHOKKJIMQUIB-SFHVURJKSA-N 421.453 1.433 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OCCCSCC#N)C1 805378309 HQRAJSVBZIXREL-AWEZNQCLSA-N 401.510 1.882 30 10 HDEE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)c1C 820184747 DDAVXRGHTMDMLM-QGZVFWFLSA-N 400.435 1.315 30 10 HDEE Cc1[nH]c(-c2cccc(CN3C(=O)NC(C)(C)C3=O)c2)nc(=NCC(=O)O)c1C#N 821180138 AEDINZKGZRUBMO-UHFFFAOYSA-N 408.418 1.073 30 10 HDEE N#CC1(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CCSCC1 1125076487 QCCUHONKUATUKQ-UHFFFAOYSA-N 423.560 1.502 30 10 HDEE C=CCCOCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1130902506 URMGVYKGVLIDII-JSGCOSHPSA-N 408.417 1.959 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cn1cccn1)c1ccccc1)c1cc[nH]n1 1136897334 RNJDWESCMYSHGR-KRWDZBQOSA-N 410.434 1.448 30 10 HDEE Cc1ccc(C(=O)N2CCC(N3CCOC[C@@H]3C)CC2)cc1S(=O)(=O)NCC#N 1141596311 XJGXAUJHMQMUNH-INIZCTEOSA-N 420.535 1.122 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(C)(C)O)C[C@@H]3C)n[nH]2)c1C 1154419398 VHLCVFCBKSSHKZ-AWEZNQCLSA-N 400.527 1.993 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCn2nncc2C1 1155598474 FXRLOBBXTQNVEM-UHFFFAOYSA-N 416.507 1.310 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1162686458 HINHMWWEVJYIIO-UONOGXRCSA-N 403.508 1.795 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 1163736887 FHMXXPUKWZQVRH-DZGCQCFKSA-N 404.410 1.828 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCN4CCOC[C@]4(CO)C3)c2)c1 1178898749 OENKHLAWLPVRBA-HSZRJFAPSA-N 407.470 1.656 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(C)(C)C 1190910599 OXDVLQDXNIBCPL-SNVBAGLBSA-N 401.286 1.827 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(C)c2Br)CC1 1216856501 ZEOQYAVXZOXEPY-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)C2=O)cc1 1227631643 HVMLYYDMTSHQRB-FGTMMUONSA-N 416.503 1.020 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1248582739 UJTRVLIZKJPQFN-LLVKDONJSA-N 406.291 1.315 30 10 HDEE N#Cc1ccc(CN(Cc2cccc(F)c2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)cc1 1264691829 HFUXXYHPQSENPE-SFHVURJKSA-N 415.446 1.139 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)COc1ccc(C#N)c(Br)c1 1271140815 YGRQWRKXZUJATK-UHFFFAOYSA-N 424.276 1.814 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C2CC2)C1=O 1286306810 YJXITWYDNVSPNZ-WLNNIECUSA-N 401.511 1.471 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286444145 QNTDVZGHILRRAS-BBWFWOEESA-N 402.543 1.577 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1286479973 QWGZFPXXISPNLO-FQEVSTJZSA-N 400.571 1.658 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1292113784 HWFXVKWSGHLWSK-QGZVFWFLSA-N 423.558 1.586 30 10 HDEE Cn1cc(C(=O)N[C@H](C#N)CO)c([C@@H]2CCCN(C(=O)OCc3ccccc3)C2)n1 1297879856 GALMAWMVNRZABZ-IAGOWNOFSA-N 411.462 1.551 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1300304490 OVLZNYALDZKECZ-CVEARBPZSA-N 421.505 1.773 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1300368346 VIPBFILDEBVNEP-UHFFFAOYSA-N 422.580 1.519 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1300465466 NISZKAGFULANRP-LBPRGKRZSA-N 409.434 1.023 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1300499728 WFBFCNCTKWVOST-JKSUJKDBSA-N 408.524 1.010 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)Oc1ccc(OC)cc1 1300505729 HEPDEFMIPICRDO-KRWDZBQOSA-N 409.490 1.965 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@@H](C)C1 1300519882 CNCZYNBMGZHBBK-ZWKOTPCHSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@](C)(O)CCOC 1300538740 UXTYUOPYCPPQLO-KNQAVFIVSA-N 410.474 1.651 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300547424 MCCWHWZYCHWOOM-CVEARBPZSA-N 411.428 1.466 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300587056 HCNGIRFWMANEMR-KRWDZBQOSA-N 409.456 1.957 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)CC1 1300691164 XZGZFNIBRLLHCP-GDLZYMKVSA-N 408.531 1.483 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1301371912 DBLHHKVJJLQRQD-BMGDILEWSA-N 410.478 1.335 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)(F)F)CC1 1303001034 MAINHIKSPQXBDO-ZDUSSCGKSA-N 421.445 1.847 30 10 HDEE CN1CCN(C)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1304072365 METFYOLBZGGOAS-WUZYXKQASA-N 419.570 1.479 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)NC(C)(C)C 1306193349 FXDQZOCKSKHTIK-UHFFFAOYSA-N 410.526 1.739 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1309651627 ZXVFNBBCEOCPCS-RBUKOAKNSA-N 408.520 1.871 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 1311676401 YAXYHFPIVFAZSJ-UHFFFAOYSA-N 407.536 1.775 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)nn1 1347784449 AXMULHGTIGRMMM-UHFFFAOYSA-N 405.480 1.900 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358961505 ADEKRXFUDHVGTE-FUHIMQAGSA-N 422.551 1.307 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358967637 OTUIZERITRIHSX-HUUCEWRRSA-N 421.548 1.456 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1358980411 UPQHMGMMXHJAPN-IBGZPJMESA-N 415.501 1.737 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NC)CC1 1359098013 WMOHLHBTNOAQLV-DOTOQJQBSA-N 414.514 1.121 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359111054 MUXCLFRCQCUAME-HTXNQAPBSA-N 410.482 1.607 30 10 HDEE C=C(C)Cn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359121988 RDXDURIHXWDDNC-IIDMSEBBSA-N 414.462 1.727 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359297034 CCBQBFBVWPYBAD-IIBYNOLFSA-N 414.510 1.360 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359330295 NMRJWEJIJQDRKF-MAUKXSAKSA-N 417.535 1.945 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CC1 1359365386 AGLYOGUWBJPUQV-IBGZPJMESA-N 400.462 1.379 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21)[C@H]1CCS(=O)(=O)C1 1435069891 UGPLSNLBCIEPCQ-RKTXRCNFSA-N 408.317 1.984 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)c2cc(C#N)ccn2)C1 1439199910 PEHVZRNSBPVYJV-AWEZNQCLSA-N 408.480 1.107 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2ccc(C#N)cc2)CC1 1445124735 IDYHEJUURNOFRC-KRWDZBQOSA-N 407.536 1.636 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC)[C@@H](O)c2ccccc2F)cc1 1445781970 CKOPTVQBNLEEAI-MOPGFXCFSA-N 404.463 1.979 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)C2=O)cc1 1448832820 BLDCPDYAEPQAGW-ILXRZTDVSA-N 408.380 1.090 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)C2)nc1 1456061309 KREMNZMPKFXMTC-KSSFIOAISA-N 412.475 1.086 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2ccc3c(n2)OCCO3)c(=O)c1C#N 1457782549 ZNZZENSKVDDQKM-UHFFFAOYSA-N 405.208 1.649 30 10 HDEE CN(CCNC(=O)C1CCN(c2cnc(C#N)c(C#N)n2)CC1)Cc1ccccc1 1458223166 ZFNOWGJGDVHNIV-UHFFFAOYSA-N 403.490 1.685 30 10 HDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CC(=O)N(CCC#N)CCC#N 1460914185 KYAIBGVMDARHKC-QGZVFWFLSA-N 407.515 1.600 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CCOCC1 1461711633 MUAUQDHNGPTFDW-YRNRMSPPSA-N 420.531 1.643 30 10 HDEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1462164667 QKTBKWPFOHJCNQ-AWEZNQCLSA-N 418.309 1.988 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nn1 1462402094 FZHVSIGLOTUAPC-LLVKDONJSA-N 419.850 1.397 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H](c3ccccc3)N3CCCCC3=O)C[C@H]1CS(=O)(=O)C2 1462997403 JBCYFNGMKXWBGD-HQRMLTQVSA-N 401.488 1.137 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C1CCOCC1 1470864663 HMENBIPVJWNCGY-GFCCVEGCSA-N 403.430 1.817 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)O1 1472009985 LIBISQGTNVKXRO-GBESFXJTSA-N 411.462 1.361 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 1473659220 SRAUDKQUHLZEKQ-KRWDZBQOSA-N 421.542 1.064 30 10 HDEE C#CCCCCCC(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1497846287 MSZYLROPMRAZFI-JRHPMUGDSA-N 401.551 1.596 30 10 HDEE CO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1503953217 NEUMEHJBEFHBOH-IAQYHMDHSA-N 406.384 1.826 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1504999690 OIIFHAVGINBHPG-WMZOPIPTSA-N 419.526 1.938 30 10 HDEE C#CCOCCC(=O)N1CC[C@@]2(CCCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1506384843 RTYXBGMETARNHM-HLXOMJDXSA-N 400.519 1.681 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1507650126 CIWCDEXXHILCPH-UYAOXDASSA-N 407.522 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1507691012 ZLBCTAPLIYMMIS-IBGZPJMESA-N 415.563 1.772 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1507712176 SDEXIJJHEQZSBL-UHFFFAOYSA-N 411.550 1.932 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)on2)CC1 1507719211 LQPITLUMFLQBBJ-FQEVSTJZSA-N 400.483 1.030 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCOCC2(C)C)CC1 1507720326 JLSRMKKYHNQXDD-UHFFFAOYSA-N 412.538 1.713 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCS(=O)(=O)CC=C)CC1 1507723838 WHENYOQSJUZEKW-UHFFFAOYSA-N 414.535 1.005 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](C)N(C)C)CC1 1507729633 JAVFFLIMMOPXKV-INIZCTEOSA-N 402.493 1.852 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCOCC1 1507760392 ZWLZZVIRDUSOJI-DYESRHJHSA-N 402.543 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1507803651 HZDYKKBAOCKUKZ-XLIONFOSSA-N 410.522 1.947 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507864898 HEKGLHFTPFBKOL-QGTPRVQTSA-N 422.961 1.523 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCC2(CCOCC2)C1 1508085007 RZRMXYVVWRPSKX-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1508142169 QZZWBJLGZRTNHN-DJIMGWMZSA-N 410.540 1.387 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1508167258 HAXUCRQUQQQQON-LJQANCHMSA-N 409.556 1.518 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1508380893 VYUAACGCRHRQDE-KRWDZBQOSA-N 424.436 1.938 30 10 HDEE C[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC(C)(C)O1 1512450210 IHUYYWBYHUSZOA-VDMFXUGISA-N 400.483 1.686 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCC(=O)N2CCCCC2)c1 1521082241 DXRUZSYINUUPJP-UHFFFAOYSA-N 421.505 1.546 30 10 HDEE Cn1cc(I)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)n1 1528286832 MVNIVLDNTNYNLQ-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc3c(c2)C(=O)N(Cc2ccncc2)C3=O)nn1 1536910386 TUKYIRQTQANZGI-UHFFFAOYSA-N 402.414 1.585 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1539179548 PRXMWHRMPPZBJJ-HNNXBMFYSA-N 404.492 1.315 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C 1539417203 YWHLYGSLAJEKOJ-SFHVURJKSA-N 402.520 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CC 1539539615 WCLSOPSEAHUPTM-FUHIMQAGSA-N 422.599 1.755 30 10 HDEE C=C(Br)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1 1539599352 DLTIBSJUVBENLO-AWEZNQCLSA-N 420.267 1.635 30 10 HDEE C[C@H]1CCc2nc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4s3)c(C#N)cc2C1 1540207109 CTFHBLOPSCYCQI-JTQLQIEISA-N 409.471 1.942 30 10 HDEE CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)C#CCOC)C2=O)cc1OC 1540716252 TXHWHTTZTQVJRC-LGMDPLHJSA-N 418.471 1.896 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCCOC2)C1 1540863473 XDOVEPBLDGGZTC-OXJNMPFZSA-N 407.515 1.311 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1544400406 BDOYZRQFZYVWAA-VAKVLEPSSA-N 414.510 1.791 30 10 HDEE CCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C(=O)NC)C1 1548367972 ZUSWFJHWZGEHNA-CQSZACIVSA-N 404.414 1.163 30 10 HDEE Cc1ccc(C(=O)N2CCN(C)C3(CCCCC3)C2)cc1S(=O)(=O)NCC#N 1556685206 UMUAKIGEVPWVLG-UHFFFAOYSA-N 404.536 1.887 30 10 HDEE C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 1556750081 YNIZFLAVFDTPTI-SUMWQHHRSA-N 415.471 1.546 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](n4cc(CO)nn4)C3)n[nH]2)c1C 1556805906 AZLXTSALSCBHIZ-INIZCTEOSA-N 410.482 1.637 30 10 HDEE NS(=O)(=O)c1ccc(C2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)cc1 1558599121 GRVWDJRXAJPMMC-UHFFFAOYSA-N 412.467 1.820 30 10 HDEE N#Cc1ccc(CC(=O)Cn2nnc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 1559370475 BLLFBGQFCXUMLH-NRFANRHFSA-N 402.458 1.930 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCOC23CCOCC3)cc1 1562197045 CFKTVTMMQAFFLD-KRWDZBQOSA-N 409.508 1.953 30 10 HDEE CC(C)O[C@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 1564546941 COMQYAUNDOOLRY-RXVVDRJESA-N 400.479 1.937 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](C)CN2CCN(CC)CC2)c1 1565609458 PPVTYOCKRUIEFK-GOSISDBHSA-N 405.564 1.487 30 10 HDEE C#CCN(CC(=O)N[C@@H](c1nc(-c2nc[nH]n2)no1)C(C)(C)C)C(=O)OC(C)(C)C 1566683790 YVFNKUFFYQHWFI-ZDUSSCGKSA-N 417.470 1.928 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)C1 1567388043 NRERPLHBXKIMFS-RCCFBDPRSA-N 412.490 1.910 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cc1B1OC(C)(C)C(C)(C)O1 1569382287 ONAIXLOGXIUYFL-GOSISDBHSA-N 419.352 1.943 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1569909677 HMQQYEVLQZYINT-BHQCHZOVSA-N 400.523 1.237 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 1570858695 DHBGKAOSQSYLBC-ZFWWWQNUSA-N 404.410 1.828 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)c1=O 1584358493 PYBGGZPDBAUHBV-UHFFFAOYSA-N 408.414 1.661 30 10 HDEE CC[C@@H](C#N)N(C)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1586123522 CFQAWOUCLDFWQY-AWEZNQCLSA-N 420.491 1.530 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@](C)(CO)[C@@](C)(CO)C3)ccc2c1=O 1587242720 GJRDCKYQTORMDX-BGYRXZFFSA-N 403.504 1.324 30 10 HDEE COC(=O)[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1587341903 SWEGXKYCVCICJU-HNNXBMFYSA-N 408.252 1.157 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCCNC2=O)CC1 1587809032 XRWOSCSHLXOTCS-QGZVFWFLSA-N 418.542 1.800 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1588385085 FFKLBMPORVIWKL-HLIPFELVSA-N 406.552 1.845 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCCN2CC)CC1 1588733377 RDMLYQUHUIPHII-LJQANCHMSA-N 415.586 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCOC[C@H]2OC)CC1 1588891511 PMNAAYSMTPZMNI-BHIYHBOVSA-N 417.554 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCCOC)CC1 1588954952 MZXAOJCQAXYCSR-UHFFFAOYSA-N 401.536 1.933 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOC[C@H]1C 1602821541 CFKOJWWWYLRGNL-GOSISDBHSA-N 424.553 1.715 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1609532161 JTSXDNHPQJNKHL-IRXDYDNUSA-N 424.461 1.846 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2cccc(SCC#N)c2)C1 1611050590 CNTGZZRPRJELDS-UHFFFAOYSA-N 416.503 1.864 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1611770592 ABUJXIKZNKEGIH-JKSUJKDBSA-N 402.499 1.184 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)CCO1 1618692229 BMDJNMMSUSOWFL-IBGZPJMESA-N 417.473 1.520 30 10 HDEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1619610020 KXDBQRXCIXVXKO-GXTWGEPZSA-N 402.496 1.003 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCn2ccnc2C1 1619910047 SWSIBUMGZAACPE-INIZCTEOSA-N 414.514 1.242 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnccc1OC 1619990729 YIELCBTWIHZVBK-LIRRHRJNSA-N 404.446 1.896 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F 1622606005 ZHYZSIMZOXELTL-UHFFFAOYSA-N 402.875 1.984 30 10 HDEE CCOC(=O)C[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1625387393 LVOZZXRZOAGJPT-YCTJDYOESA-N 409.483 1.204 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1626047092 YPASCHGBDIZIJL-RBUKOAKNSA-N 403.523 1.902 30 10 HDEE CC(C)C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N1Cc2ccccc2C1=O 1627140248 KYPVIVUUICPYJQ-YRISNDGFSA-N 415.515 1.454 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCc2nc(O)c3cnn(C)c3n2)C1 1627789769 BNWALACIBHASDQ-MRXNPFEDSA-N 405.462 1.610 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H]3NC(=O)CC[C@H]3C2)C1 1628787848 JTYOHVWXDXQBPP-LRDDRELGSA-N 417.307 1.884 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CCc4cnccn4)CC3)CC2=O)cc1 1632843030 ILVLQJSUKFORJU-SFHVURJKSA-N 404.474 1.088 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1c2ccccc2OC[C@@H]1F 1634544971 CDZMXYCEBDIBCK-ULFGMLNVSA-N 403.435 1.813 30 10 HDEE C#CCn1cc(CNC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)cn1 1634630684 FRSFUNSHUPCFQZ-UHFFFAOYSA-N 415.247 1.581 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1635445650 AYVNBPLEQFWLOY-CVEARBPZSA-N 412.512 1.431 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 1636660415 ATLQOUVIRQRKAV-QGZVFWFLSA-N 410.561 1.463 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@]1(CO)c1ccccc1)c1cc[nH]n1 1637629690 DJNUSBWLYHPNFW-HXUWFJFHSA-N 400.435 1.204 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)OC 1637697641 WUEVMTKNHHZHIO-SFHVURJKSA-N 400.456 1.806 30 10 HDEE N#C[C@@H]1CN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CCN1Cc1ccccc1 1638172411 SUNHFKOBENSCCI-YGFFAISXSA-N 416.547 1.762 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 1638183001 HMXIWYGKIDIGOQ-IAGOWNOFSA-N 400.410 1.728 30 10 HDEE COC(=O)c1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1638564422 AGGNMDIWPJFOIL-LLVKDONJSA-N 417.443 1.635 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CO)CN3CCCCC3)C2)C1 1640490408 ASFIDOPDTXFPNI-NYXBAERPSA-N 420.554 1.736 30 10 HDEE CC(C)N1CCC(NC(=O)Cn2cc(C#N)c(I)n2)CC1 1644029667 SKDMJVVMDDRZLD-UHFFFAOYSA-N 401.252 1.348 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)c1 1645528167 IGQOTFWWYDCGLF-SECBINFHSA-N 403.386 1.779 30 10 HDEE COC(=O)[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)CCO2 1645566358 ZQNVTJADQZSYPH-LJQANCHMSA-N 400.456 1.771 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CC[C@H](O)C4)CC3)CC2=O)cc1Cl 1645897548 RDIHIZJTJDIBCK-YJBOKZPZSA-N 416.909 1.622 30 10 HDEE COC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1646209222 NTXJWCZLIQKGCD-GOSISDBHSA-N 421.519 1.712 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3csc(Cc4ccc(F)cc4)n3)C2)c(=O)nc1O 1648787341 MZQRZAQFHMQJOG-UHFFFAOYSA-N 411.418 1.704 30 10 HDEE CCc1ccc(C(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1652274557 ZULVAFRZLILWRI-UHFFFAOYSA-N 414.487 1.467 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br)C(C)C 1652386416 FQJMGLFTEXOHNU-UHFFFAOYSA-N 417.325 1.858 30 10 HDEE CCN(CCC#N)C(=O)CN[C@@H](CO)c1ccccc1I 1655043167 SRCAYYZDHNTOCZ-AWEZNQCLSA-N 401.248 1.676 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1659321725 FKDXLTNEDUZXGF-SFHVURJKSA-N 419.566 1.760 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(F)c(Br)cc2OC)cn1 1664348818 HMLYGOPKSVJBHE-UHFFFAOYSA-N 402.245 1.905 30 10 HDEE C#CC[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1664365413 BMWQIDHGAZEICP-DLBZAZTESA-N 408.476 1.272 30 10 HDEE C=CCN1CCC(NC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 1668511025 SNPAXWREJMFPRT-UHFFFAOYSA-N 414.554 1.853 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2ncc3c(n2)CCOC3)cc1 1673398463 KADKEAPTLFHABQ-UHFFFAOYSA-N 417.491 1.678 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1677072897 ICMMFIHRFYCUKR-SNVBAGLBSA-N 418.251 1.911 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCc3ccc(C#N)cn3)nn2)C1 1681739051 MBXABXKUXNRHFH-UHFFFAOYSA-N 412.454 1.336 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1686846273 DDHRUCWXVZVBDH-YJBOKZPZSA-N 411.499 1.823 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(OC)c(C#N)c2)CCO1 1687438115 UULUIJBDHBCIKX-OAQYLSRUSA-N 419.478 1.836 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2C[C@@]2(O)CCOC2)c1 1689873363 FZJDMXGWCRQJSK-NRFANRHFSA-N 413.478 1.022 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nc2c(s1)C[C@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1689982849 VTLCXVAFQQRQBC-UKRRQHHQSA-N 419.576 1.843 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689986098 IPKVJSQPYLJOJB-INIZCTEOSA-N 413.507 1.165 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1689989914 JPWARYKSDRROGB-MRXNPFEDSA-N 409.556 1.020 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1(C)C 1690020009 WPGAHYIOPQALNF-HOTGVXAUSA-N 406.577 1.785 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnccn2)CC1 1690173096 VZNGHVQPVWQECH-QGZVFWFLSA-N 413.551 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCOC1 1690204967 XGSOYLDOYNRHLL-XGHQBKJUSA-N 401.511 1.665 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(C)=O)CC1 1690410838 ZNOCMWVOSLBPNX-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)CC1 1690414866 OBTQYMJCMIAUEZ-UHFFFAOYSA-N 402.543 1.525 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCCC1 1690671396 VICNJXVAVJUWRS-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690673115 OSCZAJVRAPLPFQ-KRWDZBQOSA-N 422.493 1.642 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN(C(=O)NC)CC2)cc1 1690681226 KELBPMZIFQPWHV-UHFFFAOYSA-N 414.510 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)cc1 1690723505 UDJDYRVXCWRTAT-INIZCTEOSA-N 421.498 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690723626 XDJKAZPXKFVZHZ-FQEVSTJZSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCCOC2)C1 1690724073 HOQLJFCBUOKUAE-FXAWDEMLSA-N 424.567 1.780 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1693873828 CKDHAJYCFPMUND-GZRFBZBPSA-N 401.442 1.277 30 10 HDEE CCc1nc(CCn2c(-c3ccccc3OC)nnc2N2CCO[C@@H](C#N)C2)no1 1694587291 GLZKERBYIGMXOI-AWEZNQCLSA-N 409.450 1.871 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1697007724 XESNYPMLRKTWCV-UHFFFAOYSA-N 407.434 1.416 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCc2nccn2C1 1698061347 UUEUCZBQSYMDHQ-MRXNPFEDSA-N 407.482 1.561 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOC1=O 1698136221 VESAUVFKWMOLRN-KBXCAEBGSA-N 410.450 1.286 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C[C@H]1OC 1698288055 CSSFTROWFCZDJU-QRVBRYPASA-N 413.478 1.472 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1705474122 CPVABMIARAPFAM-SPLOXXLWSA-N 407.478 1.394 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1705523725 WXTIQLPYMCIZGM-HRAATJIYSA-N 410.478 1.723 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(F)cc1 1705550986 DEIUOTNUQNRVQS-HNNXBMFYSA-N 406.483 1.858 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705572094 QOPIOBYAZVIKOB-IAGOWNOFSA-N 419.482 1.339 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)NC 1705594173 SPPJKYFDRPQYHE-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCOC1 1705600346 VYQQXABVTUBEOD-QFIPXVFZSA-N 404.474 1.131 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(C2CCCC2)CC1 1705900525 GVKZFZXDNWNAEK-UHFFFAOYSA-N 410.526 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCCC2)C1 1705928026 LJEHYUFBBZKWDL-UHFFFAOYSA-N 421.567 1.885 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1706748574 WOWHRLRDAVJARC-WBVHZDCISA-N 412.494 1.823 30 10 HDEE CN(C)CCOCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1711017395 LPJYNHCESCDCAN-GOSISDBHSA-N 418.473 1.303 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)c1 1711703080 GGAWTTXLMHBFDG-SFHVURJKSA-N 413.478 1.996 30 10 HDEE C=CCC(CC=C)C(=O)N(C)CCN1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1721295624 PYSHTKIOXHDJMW-TXVWBRJLSA-N 401.551 1.781 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722369812 HHTBIMPXMVZNLB-QZTJIDSGSA-N 415.519 1.394 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)[C@@H](C)CC 1722396518 JFIJIAIOLPSQJM-ROUUACIJSA-N 405.568 1.373 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1COCCO1 1722418532 ULXADLJBEOTKAU-LJQANCHMSA-N 410.453 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOc2ccc3c(c2)OCO3)CC1 1722443071 BNIDMKKIHSGBMB-UHFFFAOYSA-N 411.462 1.360 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1722454843 GCWDGKNOAGKJQE-UHFFFAOYSA-N 406.515 1.994 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1722459581 NMLOXCALTJVZJK-MRXNPFEDSA-N 406.556 1.390 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722552221 LHLSQYKXXMZVJV-MRXNPFEDSA-N 414.897 1.077 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)C(C)(C)C)CC1 1722566100 JLSZHFFFNQAHPG-WZQKQDCOSA-N 414.597 1.884 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@]1(O)CCS(=O)(=O)C1 1722677707 DUYKSRCOHCMDGP-GOSISDBHSA-N 410.496 1.035 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCS1 1724039855 FKUCTZSXCSWZLU-IAOVAPTHSA-N 413.544 1.908 30 10 HDEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1724097933 APTWGIQKVGJOHF-WCQYABFASA-N 411.557 1.492 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1729612359 HIACGNWQVSSESE-MRXNPFEDSA-N 409.494 1.509 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740532250 CVKWJNJMDDMRQR-GJZGRUSLSA-N 405.524 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1740551292 SXCGRPDBLJWZGG-CABCVRRESA-N 405.499 1.569 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCO[C@H]1CCOC1 1740558633 UKGVBFKOPBTGLS-HOTGVXAUSA-N 417.535 1.923 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1740615856 MPJCBVAFMIUANG-MRXNPFEDSA-N 421.567 1.261 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CN(CC(C)C)CCO1 1740642699 ZECDBMXLCGPCJZ-NRFANRHFSA-N 423.565 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)CC 1740653948 CYWIXRRVCZPMKF-UHFFFAOYSA-N 402.495 1.906 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1740742157 DVNOBAZUHQEJLN-ZDUSSCGKSA-N 404.272 1.463 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1740900526 ZRPDFXUHUPTDOC-SJORKVTESA-N 411.572 1.303 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@H]1CO 1741803898 TYFNQNPLYFIMAW-IKGGRYGDSA-N 403.531 1.204 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O 1743361517 CJDSAFJDUCENHG-CVEARBPZSA-N 411.510 1.238 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748847054 OKQFRVAQHLIXCM-ZWKOTPCHSA-N 420.521 1.356 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C)C1CC1 1749508505 SKIFIQNCLZBUOM-NRRJATNASA-N 417.601 1.590 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750380398 QHISRPTULDMZOM-TXSJJRPESA-N 413.457 1.904 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1760129285 IMOARGWRWUXASU-RBUKOAKNSA-N 416.570 1.767 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCSC1 1760165847 HUZHZAZRTUZRNM-HXUWFJFHSA-N 418.519 1.908 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCN(C(C)=O)CC1 1760176764 SPEGPNWOKRYKLF-UHFFFAOYSA-N 419.533 1.515 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(NC(C)=O)c1 1760248010 XTVYIQUGDWOUSW-UHFFFAOYSA-N 405.462 1.828 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOCCOC)CC1 1760258868 UBZTVBPCKYCTLW-UHFFFAOYSA-N 408.506 1.625 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1760259448 BKUMSQNQYDCLFA-QYZOEREBSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)C(=O)NCC)CC1 1760262052 HFQMKHDOKBBMTK-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1/N=CC=CC1=O 1764966131 JOJZINDDBXSMAA-ZUVSJKOSSA-N 418.498 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1772516669 OODXYVHOCORCDB-JOCHJYFZSA-N 411.481 1.526 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nccs2)C1 1772567208 NRWHUNVNTXTJDJ-GJZGRUSLSA-N 418.523 1.856 30 10 HDEE C=CCN(C(=O)c1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCC2)c1ccc(C#N)cn1 1849240336 XFVJGIXEUHQRTQ-OAHLLOKOSA-N 411.487 1.831 30 10 HDEE Cc1cnc2n(c1=O)[C@H](CC(=O)NCC#CCN1CCc3ccccc3C1)CS2 1850166690 NSHCOFHDPAHBFK-LJQANCHMSA-N 408.527 1.767 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CC2 1850734838 MDQVCVQJCTWWDZ-KRWDZBQOSA-N 407.474 1.469 30 10 HDEE Cc1cccn2c(=O)cc(COCCN3CCN(c4ncccc4C#N)CC3)nc12 1852130107 UNIRXNPWFZOLQF-UHFFFAOYSA-N 404.474 1.608 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3ncc(C#N)cc3Br)CC2=O)CC1 1852275578 YRYJLZYICXIATQ-LBPRGKRZSA-N 406.284 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)NCC#Cc2cccnc2)CC1 1852592057 HQDXPCHGCUEWQK-ZWKOTPCHSA-N 412.490 1.265 30 10 HDEE N#Cc1cccc(C#N)c1N(CCOc1ccccc1)C(=O)[C@@H]1CN2CCN1CC2 1852658455 IVRUOYMTEYPQMI-NRFANRHFSA-N 401.470 1.842 30 10 HDEE Cn1cccc1C(N)=NOCCc1nc([C@@H]2CC(=O)N(CCc3ccccc3)C2)no1 1853544886 HQLYMFUSZRYTST-QGZVFWFLSA-N 422.489 1.846 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)CN3C(=O)COc4ccccc43)C2)CC1 1853734452 GPNFAWNIMCMIOG-QGZVFWFLSA-N 410.474 1.413 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cn3cccc(C)c3n2)C1=O 1854156692 CTTHPVICTPQIHB-QZTJIDSGSA-N 409.490 1.031 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)CC3CC(F)(F)C3)C2=O)C1 1854251911 VQPVITSISBYETI-MRXNPFEDSA-N 404.417 1.969 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3c(=O)sc4ccccc43)C(=O)C2)c(F)c1 1854337745 IVUWABRXZUHUEZ-UHFFFAOYSA-N 424.457 1.945 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccncc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638522 QHMKBQFWQCRJFE-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3nc4ccccc4o3)C(=O)C2)C1 1854950039 NWCAGTFREYJBSO-IRXDYDNUSA-N 409.490 1.808 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1855126891 KCJLISTUMDAVPC-KRWDZBQOSA-N 414.506 1.862 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1C#N 1855223050 PCUAADZUIFAGTK-HXUWFJFHSA-N 404.474 1.610 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)c1 1855338394 VIIXEBBGOZPCGP-IBGZPJMESA-N 424.892 1.759 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855537250 FHAXLRGYEKDTMK-HNNXBMFYSA-N 406.508 1.161 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855597038 VAFMYKDYSOYNCX-CVEARBPZSA-N 402.520 1.382 30 10 HDEE CON(C)C(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1855872374 DPJSUKNOQWZNNE-QGZVFWFLSA-N 412.490 1.669 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)CN4CCCC4=O)C3)CC2)cc1 1855958797 FQKNSMOCUSFIRP-HXUWFJFHSA-N 408.502 1.768 30 10 HDEE CN(Cc1ncnn1C)C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1855991252 IZVNQBTXOKJGLZ-AWEZNQCLSA-N 400.870 1.655 30 10 HDEE C=C(C)CN1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C(=O)C1(C)C 1856097095 BNCZRTJQDWKCAB-UHFFFAOYSA-N 409.490 1.721 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CC(Cn4cc(Cl)cn4)C3)CC2=O)cc1 1856231396 GYCVMGXLIQOYDQ-KRWDZBQOSA-N 411.893 1.958 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856249170 JNQBAWXTHSOKMA-WOJBJXKFSA-N 408.502 1.880 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)C1=O 1856542215 FTINSJUBFOMXPH-HNNXBMFYSA-N 401.467 1.845 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nc(C)n3ccccc23)C1)[C@H]1CCN(C)C1=O 1857263877 UMOLBJOZZLELSC-AEFFLSMTSA-N 409.490 1.350 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCN(C(=O)COc3ncccn3)C2=O)CC1 1857307976 YQYJOQHJBYQXHS-GOSISDBHSA-N 405.458 1.540 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 1858327055 LSXSUICWVMVLAR-CQSZACIVSA-N 412.427 1.598 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 1861315232 BTZYQJRDNHIBFT-SJLPKXTDSA-N 415.877 1.428 30 10 HDEE CCN1CCN(C(=O)[C@@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869930398 ZMRVANDOXVXHRS-IBGZPJMESA-N 412.515 1.631 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(OC)cc3)CC2)CC1 1890143558 BFBWJTDSLMXEDL-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cs1 1890489024 CTOIKQTXLBVUMI-UHFFFAOYSA-N 420.516 1.206 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1959428556 SFADSHRALUYICU-UONOGXRCSA-N 412.487 1.498 30 10 HDEE CN([C@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(C#N)CC1 2054404944 XTLHSZYYOWXHLI-ROUUACIJSA-N 406.508 1.856 30 10 HDEE C#CCCN1CCC(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2083612462 ALDMPPCTJOIHER-UHFFFAOYSA-N 403.504 1.080 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)NCc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2157020504 RWZOKBQLSGWKPB-LLVKDONJSA-N 403.331 1.337 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)C1CCOCC1 2157041174 HKPCZYSGDSVINN-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2c(F)cc(N)cc2F)[C@H](C#N)C1 2162920329 ICIICHROTASBHX-LLVKDONJSA-N 402.423 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C#N)cc2N)CC1 2163009229 PFDUIFDEKMUSSZ-UHFFFAOYSA-N 414.509 1.548 30 10 HDEE COC1(CNS(=O)(=O)N2CC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2174783562 DGTNPDLXISVEGC-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217477932 ZOHPBRMLYRTMLF-JKSUJKDBSA-N 419.331 1.967 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2 2239517780 JCAXRAWRCFYQIM-KGLIPLIRSA-N 401.529 1.658 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2243320762 NKADAVROASRKEM-GFCCVEGCSA-N 408.260 1.738 30 10 HDEE C[C@H](CN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243387495 VFNDKYGCACRCQX-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243430487 RUDYHPUAHKIGIO-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243757458 RIUCIWRTAWBAGV-ZDUSSCGKSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)[C@H](O)C1 2248036853 AKUZQCJXIGADIC-DLBZAZTESA-N 419.331 1.960 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258182811 IMHVYBVYLMUOMC-IAGOWNOFSA-N 410.492 1.825 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2267704389 MVWYGONKJGELNH-DEOSSOPVSA-N 407.388 1.403 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@@H]1CCCC[C@H]1C#N)NC(=O)OCc1ccccc1 2270527905 NALHZRNBRXLDLH-BBWFWOEESA-N 423.491 1.456 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281823118 WXWWZIHAJJUALU-NSHDSACASA-N 401.721 1.802 30 10 HDEE CCOC(=O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322853 RMIRKOCBKUPIHK-UHFFFAOYSA-N 403.331 1.539 30 10 HDEE CC1(C)C[C@@H](CO)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331819 SAJCQSGUJDJFKV-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCCNCC2)c1B1OC(C)(C)C(C)(C)O1 2282490426 JSHWCMXMTNIWLR-UHFFFAOYSA-N 400.375 1.648 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(Cl)CC2(F)F)n1 2282499487 CUJCXMPOLCMELH-ZDUSSCGKSA-N 411.667 1.014 30 10 HDEE CC(C)[C@@H]1NCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501005 QVYNFCPKHYCCTA-ZFWWWQNUSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N=[S@]2(=O)CC[C@@H](N)C2)OC1(C)C 2282505192 AAJLZKFGMIOKPN-YDBLSZJJSA-N 420.387 1.076 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CC3(CSC3)C2)OC1(C)C 2282505529 FPOUAFAKUTVARO-UHFFFAOYSA-N 416.399 1.757 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](C)S(C)(=O)=O 2282856490 TWHUCFYILMHVOT-WDEREUQCSA-N 423.387 1.147 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](CO)CC2)OC1(C)C 2282857023 BMMZMVCMMGISLN-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE C[C@H]1CC[C@H](CO)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859876 RPGBMPOOEJBMGQ-STQMWFEESA-N 401.359 1.829 30 10 HDEE CN([C@@H](CCO)C(F)F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870280 PQPHMTHNUSJRBU-NSHDSACASA-N 411.301 1.684 30 10 HDEE CC1(C)[C@@H](O)C[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882132 HLRCZZAQDHZGNK-RISCZKNCSA-N 401.359 1.733 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284394356 XJMVFNQRSYQGQR-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2C[C@H]2C(=O)O)OC1(C)C 2284411801 OOKFBBOXHAYQAD-VXGBXAGGSA-N 401.315 1.187 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)F 2284413158 HMKYZWXXNMVRBR-PRHODGIISA-N 407.294 1.445 30 10 HDEE C=CC[C@]1(CO)CCCN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2287759627 CAUQXASZMNNPRB-KBXCAEBGSA-N 404.529 1.244 30 10 HDEE CCCN(C[C@H](C)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288010142 JKIOZKLNBHEINQ-ZDUSSCGKSA-N 403.375 1.970 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@](NCC#CBr)(C(=O)O)C1 2324773320 NMNPQSXVUGLSPW-DLBZAZTESA-N 417.300 1.945 30 10 HDEE COc1cccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1OC 2325714690 WBTXUVGLNZRILH-UHFFFAOYSA-N 418.471 1.292 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(Cl)c(O)c(OC)c1 2331293428 KADSNHGTSKRUAG-UHFFFAOYSA-N 414.871 1.982 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@@H]1NC(=O)OCc1ccccc1 2346400874 SMFXXSWDGNWMJB-UWVAXJGDSA-N 422.503 1.574 30 10 HDEE C=C[C@]1(CO)COCCN1[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2346455294 AQQYXWDDVGOLFB-LEWJYISDSA-N 404.463 1.492 30 10 HDEE CC(C)(C)[C@@H](N)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2362083192 ZLFIHUHSWVMOIT-LBPRGKRZSA-N 403.379 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C1 2365205166 SEWPAPXMUQDYSN-AUUYWEPGSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788862 BRVMJHXRCFMEIN-FZKQIMNGSA-N 401.481 1.342 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)COC1CCN(C(=O)OC(C)(C)C)CC1 2367790160 VFDXGDQMORBJJW-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CC[C@](C#CC1(S(C)(=O)=O)CC1)(CCNC(=O)OC(C)(C)C)OCC(=O)O 2367797685 WMSOLTBJSUXPIV-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE N#Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)ccc1F 12031511 NFZCTFRSGWCFBS-AWEZNQCLSA-N 422.459 1.910 30 10 HDEE N#CCCOC(=O)C[S@@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 33674730 RRADUWWRHZASSU-VWLOTQADSA-N 414.339 1.453 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3ccncc3)N2)CC1 72444666 JMEPSFJQOUBPNZ-CABCVRRESA-N 422.445 1.248 30 10 HDEE C[C@@H](C#N)CN(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 148088301 FBMMKCSFQFXJIY-NSHDSACASA-N 416.297 1.420 30 10 HDEE O=C(N[C@@H](CCS)C(=O)O)c1cc([N+](=O)[O-])ccc1I 379675604 HLOXVJSDOCFPCE-VIFPVBQESA-N 410.189 1.702 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)o2)CC1 427989749 GNLPWHHEYMRMOY-UHFFFAOYSA-N 404.404 1.515 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3cccnc3C#N)CC2)s1 428395335 DRLFVVFGEOSAKA-UHFFFAOYSA-N 407.477 1.097 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C(=O)Nc2ccccc2)CC1 428758956 JYAVTTXZHGFQNH-AWEZNQCLSA-N 412.471 1.513 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C)C(=O)OC 435951811 XURHOGAHUZNKKO-RTBURBONSA-N 402.491 1.846 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2=O)CC1 441265579 TUWMGYBWLOZSKL-SFHVURJKSA-N 422.476 1.703 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCOC)CC(C)C 460542196 IVBMCOSBMZCNPT-MRXNPFEDSA-N 415.560 1.296 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCc1cnc(N2CCOCC2)c(F)c1 462595151 SHIJJWJFOQYBBA-UHFFFAOYSA-N 413.453 1.895 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)NCCOc1ccc(C#N)cc1 465975915 XEANAFVRCMNUKZ-GOSISDBHSA-N 408.506 1.842 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CCN1Cc1ccccc1 476230268 YWARMOCNANJLFB-UXHICEINSA-N 411.506 1.186 30 10 HDEE N#Cc1cc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)ccn1 476328913 UHXOTWZTJDXARP-CQSZACIVSA-N 423.210 1.728 30 10 HDEE Cc1ccccc1CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 477028133 MSSCGKBTWDGJAM-OAQYLSRUSA-N 416.481 1.886 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)OC 481790104 RIUDZXPYPBVUIR-LBPRGKRZSA-N 413.224 1.254 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@]3(CCCOC3)C2)CC1 510620159 QZJXSNYDKOKOFB-RBBKRZOGSA-N 416.497 1.416 30 10 HDEE C=CC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 512200842 WKMWJZJCXIEYNS-GFCCVEGCSA-N 420.329 1.272 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 524308847 RVNQSZHKSOJNCN-UHFFFAOYSA-N 417.462 1.924 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3c(F)cc(Br)cc32)C1=O 538578420 ILUOZPLZXASCDF-UHFFFAOYSA-N 424.226 1.844 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)nn1 545880607 LQUANDZGPDGFLT-OAHLLOKOSA-N 403.464 1.047 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCc3ccc4ccccc4n3)CC2)nc1 550440910 KMFUWYJMZDDDEX-UHFFFAOYSA-N 400.442 1.466 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 567064458 UGKQBQMDYDZMBI-IEBWSBKVSA-N 406.504 1.157 30 10 HDEE CCc1cnc(N2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)s1 574491039 YFKHFCIVUYFOSX-UHFFFAOYSA-N 419.532 1.204 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3cc(C#N)ccn3)C2)cc1 585249472 NQGIKFRQMWIDCS-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE COc1ccc(CNC(=O)[C@H](C)N2CCN(c3ncccc3C#N)CC2)cc1OC 619510196 ALCVTRPSXJRSRA-INIZCTEOSA-N 409.490 1.797 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](NC(C)=O)C1 670195232 GOTPOZPPSGNCQF-MRXNPFEDSA-N 421.505 1.873 30 10 HDEE CC[C@H](C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1)c1c(C)noc1C 726006975 NHGKSEZVKZIBRO-HNNXBMFYSA-N 415.450 1.845 30 10 HDEE C#CCN(Cc1cc(=O)n2cc(Br)ccc2n1)[C@H]1CCS(=O)(=O)C1 731213040 SAPKVVOEDBWGJA-AWEZNQCLSA-N 410.293 1.079 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)CCN1C1CC1 732708027 KSYFCZIXEKDTGP-DLBZAZTESA-N 416.453 1.521 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 732945102 YVTMBFOTAVKEND-LBPRGKRZSA-N 401.435 1.706 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 732949406 UVVISDDDRSOFDG-UHFFFAOYSA-N 407.492 1.599 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)nc1 735852807 FZWKZUJBPFPGKS-APFMSCDFSA-N 411.462 1.484 30 10 HDEE C#CCN1C(=O)[C@@]2(NC(=N)Nc3nc4cc5c(cc4n32)OCCCO5)c2ccccc21 742440281 NZFXRIRTABTWAX-JOCHJYFZSA-N 414.425 1.828 30 10 HDEE C[C@@H](CC(=O)N1CCC(c2ncc[nH]2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742601639 ZOTFNCNNBIZJLC-ZDUSSCGKSA-N 401.492 1.633 30 10 HDEE C[C@@H](CC(=O)NCc1ccc(C#N)cc1F)/N=C1/NS(=O)(=O)c2ccccc21 742639997 JHEUPWOANLJONC-LBPRGKRZSA-N 400.435 1.831 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(C(=O)NCc2ccco2)c1 746132905 CKOCBSVGDXKOSU-LSDHQDQOSA-N 422.441 1.742 30 10 HDEE COc1ccc(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1C#N 747423416 RYEQTYVIRUOWFT-UHFFFAOYSA-N 406.450 1.275 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)c1ccccc1 755832184 LUFCOCIQGRXBCM-MRXNPFEDSA-N 401.488 1.398 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 758124635 UFHKERRSUMWPET-UHFFFAOYSA-N 418.479 1.680 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)CCCCC1 760399814 DJIFKRVWQVHBIA-UHFFFAOYSA-N 418.450 1.905 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C1CC1 763451947 ASRQZFMCOKJOCG-UHFFFAOYSA-N 405.479 1.978 30 10 HDEE CCOc1c(Br)cc(C=NNC2=NC(=O)C(=O)N2)cc1Br 765594556 WIFZUKIHXNJOGU-UHFFFAOYSA-N 418.045 1.546 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 769637914 KPPYIRRAWYGURH-SNVBAGLBSA-N 411.452 1.830 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774194451 FRJTVGPSYGKIJS-OALUTQOASA-N 423.510 1.031 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C(=O)O)CC1 777380559 IYPAUDZNCXYWAM-OAHLLOKOSA-N 421.519 1.853 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 779635297 UCTOPAZYZCNGPJ-UHFFFAOYSA-N 421.475 1.463 30 10 HDEE Cc1cccc(CN2CCN(C(=O)COC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1 780204336 GTXFXLNPKYRAGW-JOCHJYFZSA-N 407.470 1.788 30 10 HDEE C=CCN1C(=O)N[C@H](c2c(Br)cnn2C)C(C(=O)OCCOC)=C1C 783684135 RJFZNENVQBFZNU-ZDUSSCGKSA-N 413.272 1.899 30 10 HDEE C[C@]1(C#N)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 784450818 AKDAZROIIJDLIP-JTVVXKTLSA-N 416.547 1.757 30 10 HDEE COc1cc(C)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1C(C)C 788618562 AXKXNZCPXBEUQV-VHEBQXMUSA-N 407.492 1.932 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@H]2CCCOC2)CCCN1C(=O)OC(C)(C)C 791870452 JYXQVKRIVURYMK-KBXCAEBGSA-N 402.513 1.957 30 10 HDEE C=C(Br)CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 921043660 MWQSXLUPWVVZDD-UHFFFAOYSA-N 405.318 1.452 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N2CCCC[C@@H]2C)n[nH]1 1084230857 WQQXJLMJYQJDHF-LBPRGKRZSA-N 420.543 1.549 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1134243700 UMEWWCRJSZRFNY-HNNXBMFYSA-N 402.451 1.874 30 10 HDEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1136107674 MZYUNQYCYHUBOD-UHFFFAOYSA-N 412.381 1.921 30 10 HDEE CNC(=O)N[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1138111075 HTUFNHZCOHGRSV-LNWMTBOKSA-N 405.499 1.303 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C3CCOCC3)C[C@H]2C)c1 1139339974 QDARWGKPEGPICJ-QGZVFWFLSA-N 404.532 1.809 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 1141331507 JQNZFKGKAZHSKB-OAHLLOKOSA-N 415.556 1.661 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)c1 1142791383 UWRIDIGMSFTRAU-SFHVURJKSA-N 415.446 1.654 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1nc(C(F)(F)F)cs1)c1cc[nH]n1 1148106040 ZLMKEYLLSCXFQX-UHFFFAOYSA-N 419.385 1.528 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1152029517 PDEBNUGRERSZMQ-UHFFFAOYSA-N 417.485 1.155 30 10 HDEE C=C[C@H](C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccccc1 1152947253 JDNXJSSYPTXOGX-SFHVURJKSA-N 414.483 1.917 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)c1 1154541763 RWZUSBHKPVFENX-NRFANRHFSA-N 411.483 1.735 30 10 HDEE COCCOc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nc2ccccc12 1159489348 BQPOAMFLYKYIAL-UHFFFAOYSA-N 421.413 1.091 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)cc1 1162597980 KXCKFCILBCAVFP-UHFFFAOYSA-N 424.461 1.609 30 10 HDEE C=C[C@H](C)ONC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1164414738 UNFVCKLNYNTDKR-DJJJIMSYSA-N 400.472 1.957 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)c1 1170668929 MYBICAOMRCSLAZ-UHFFFAOYSA-N 401.444 1.526 30 10 HDEE CC(C)CN(C(=O)CN(C)[C@H]1CCC[C@H]1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1175251820 YKTMDDUPIQBFLF-HOTGVXAUSA-N 418.542 1.800 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3OC)C2)C1 1175502059 BTYDWHLTCJEFDB-BTYIYWSLSA-N 414.462 1.724 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(CC(=O)OCC)cs2)cc1 1177633153 BFOSYZARRQUZQS-UHFFFAOYSA-N 423.516 1.643 30 10 HDEE COCCO[C@]12CCC[C@@]1(NC(=O)c1ccc(-n3ncc(C#N)c3N)cc1)CCO2 1180230501 JKPIOBXZYHZUDB-NHCUHLMSSA-N 411.462 1.758 30 10 HDEE C#CCNC(=O)C1CCN(Cc2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1205509412 JJXVUDWXMPHDMK-UHFFFAOYSA-N 419.485 1.178 30 10 HDEE C#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)cc1 1228272558 RRFMIKNTTLYITO-UHFFFAOYSA-N 405.520 1.440 30 10 HDEE Cn1cc(CNC(=O)N2CCC(CN3CCNC3=O)CC2)c(-c2ccc(C#N)cc2)n1 1233992010 SUZPKTXCLDEMPB-UHFFFAOYSA-N 421.505 1.906 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](CCN(C)C)c1cccnc1 1251170937 KDEDCIUMPDFGAI-SJLPKXTDSA-N 408.510 1.656 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286368103 VMZJEKIGJLLMBB-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(CC)cc1 1286399426 GVBTVLYYHRMBEU-QGZVFWFLSA-N 413.547 1.766 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCN1C1CC1 1286460253 BUQTVYBFAWIHRK-SFHVURJKSA-N 402.543 1.519 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2C[C@H]2C)n1 1286472650 ZWCUKEPVLODFAK-NUJGCVRESA-N 411.510 1.368 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)CC1 1286478785 CJMZWQGGSSCDKE-WOJBJXKFSA-N 416.570 1.122 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1286547423 OUAYYCUJGSBZOF-KFWWJZLASA-N 415.585 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)(F)F)C1 1286802892 ATVRSDUHLVDNCT-ZDUSSCGKSA-N 413.404 1.138 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(S(N)(=O)=O)c2)s1 1290161699 AQBXBNQWOFOHED-UHFFFAOYSA-N 415.518 1.041 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)c1ccco1 1292233619 IBFRBCXERVAULI-MTSZKFMLSA-N 401.463 1.239 30 10 HDEE CCN(CC)C[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1295515935 HUCGUJDZVCUFHV-QAPCUYQASA-N 411.510 1.910 30 10 HDEE COC(COCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)OC 1296536353 DIUNHQFDZDIUCE-UHFFFAOYSA-N 412.284 1.509 30 10 HDEE N#CC1(CC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)CCOCC1 1296678828 DXPZWDBNHJVPSI-UHFFFAOYSA-N 401.448 1.926 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)NC)c1 1297761215 VOLWDKNOIOMFNL-CQSZACIVSA-N 413.471 1.979 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@@H]1CCN(O)C1=O)C2 1298424110 DQANYSPUAMMOCG-TZMCWYRMSA-N 421.450 1.476 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1299135273 XOVHXXLLEMBUFC-ROUUACIJSA-N 408.462 1.113 30 10 HDEE C=C(C)CONC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1300219790 LCPOYHOLSODFIU-UHFFFAOYSA-N 401.916 1.904 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC(C)C 1300468736 JWHMWZPULCXHDO-UHFFFAOYSA-N 411.478 1.544 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1300485018 SWIQAYFUADODJL-HNNXBMFYSA-N 410.931 1.578 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN2CCCC(C)(C)C2)CC1 1300695732 HRSXHKOHJHGRBS-UHFFFAOYSA-N 408.554 1.612 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCC2)CC1 1300701238 LXQBKBBJSONPJR-UHFFFAOYSA-N 401.461 1.817 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H]2COCCO2)CC1 1300706372 KWMXYHODHOKPOA-HXUWFJFHSA-N 411.506 1.070 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCC(=O)N(CC)CC)CC1 1300711266 VJNQFGGFCZZTAM-GOSISDBHSA-N 402.543 1.533 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1300956513 ACNSQAHFYJKODL-GOSISDBHSA-N 419.551 1.870 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301054692 VCFJLLYHYICLAS-HOTGVXAUSA-N 407.471 1.425 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1301272362 GKUNAAGBVOBVTJ-IRXDYDNUSA-N 412.604 1.879 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1301363449 SQMGUHDNVPZSCI-HIFRSBDPSA-N 400.508 1.762 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1303628323 BSTBVXFUIXLTGR-CQSZACIVSA-N 413.507 1.781 30 10 HDEE O=C1C=COC2(CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)s3)CC2)C1 1304200000 FNJVTLRTQBQEBH-UHFFFAOYSA-N 404.897 1.544 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C[C@H](O)COc2ccccc2C#N)C1 1307445389 FXLLBKZYXNUMLV-ROUUACIJSA-N 403.479 1.031 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](CO)c2ccc(OC)cc2)c1 1309568737 ASBQYLAYCAHWKX-KRWDZBQOSA-N 404.488 1.665 30 10 HDEE C=CCn1cc2ccc(NC(=O)NC3(CC(=O)OC)CCS(=O)(=O)CC3)cc2n1 1311237116 AEUNVTZBSAUNPU-UHFFFAOYSA-N 420.491 1.854 30 10 HDEE CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(OC)c1OC 1313186085 ZKOOLUBRRFCLEI-AWEZNQCLSA-N 401.423 1.288 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1=O 1314921907 ZIBQISJLUSZIBZ-JOCHJYFZSA-N 416.489 1.764 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)nn1 1350261406 OPYHURKWZXPUIH-UHFFFAOYSA-N 403.508 1.734 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C 1357285553 QRQVNFOJUAOGAW-PMACEKPBSA-N 407.474 1.795 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1358881907 PBTCXRYUYSXYFW-CQSZACIVSA-N 404.492 1.609 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1358911682 ARCSTWCFEJMNLW-QGZVFWFLSA-N 423.521 1.406 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CCCOC)CC1 1359042282 ZMPJVRWANNYKPM-UHFFFAOYSA-N 411.506 1.956 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359060936 MBCASXLFPARMJR-KRWDZBQOSA-N 424.530 1.797 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359090140 VISPZRQSCKACRA-QWHCGFSZSA-N 411.304 1.594 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1359106423 CVTGSPUYIZTURZ-OAHLLOKOSA-N 412.560 1.243 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1359148624 WOMNWXPJAYAYAB-UHFFFAOYSA-N 417.901 1.297 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](OCC)C1 1359307046 YZZZZVCEDQZRND-JZXOWHBKSA-N 407.515 1.310 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359311649 FSYANHUSQMERIB-UHHPSXQGSA-N 400.483 1.709 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359341336 SXWILHAMJWBNGM-KGLIPLIRSA-N 401.496 1.589 30 10 HDEE C#CCN(C(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C)[C@@H]1CCS(=O)(=O)C1 1360054259 GXOBERADUGZQNL-QWHCGFSZSA-N 404.410 1.982 30 10 HDEE CCCN(C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)c1snc(C)c1C#N 1439479121 GVZPXHWIYDVOGT-CQSZACIVSA-N 416.507 1.962 30 10 HDEE CC(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1439794658 ISQOZTOBSRSDHC-IINYFYTJSA-N 401.286 1.237 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1 1445526974 NGSZTFMGGXXSND-ROUUACIJSA-N 409.483 1.496 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 1448827951 KFDTTWFFOUIBJV-OAHLLOKOSA-N 410.812 1.496 30 10 HDEE COC(=O)[C@]1(N2CCN(c3c(C#N)cnc4c(F)c(F)c(F)cc34)CC2)CCOC1 1458495646 FHNXYKVOHQANRY-FQEVSTJZSA-N 420.391 1.978 30 10 HDEE COC(=O)[C@@H](c1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460839695 ZIPZQMNVPROWCI-BJJXKVORSA-N 413.293 1.533 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1463745672 RTGGNQAMEQJRJY-UHFFFAOYSA-N 422.413 1.392 30 10 HDEE N#CCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1 1464759992 CAWXXLWEVYELBD-PXNSSMCTSA-N 411.433 1.549 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)s1 1466483801 UHTGBNFPWZSQND-DYVFJYSZSA-N 400.522 1.209 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3cc4c(nc3O)CCC[C@H]4O)C2=O)cc1 1466821124 CIARDXSUZSTSNS-RTBURBONSA-N 406.442 1.954 30 10 HDEE C=CCc1cc(CNC(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)cc(OC)c1OC 1468363622 UTYAMVPVHWECHL-SJORKVTESA-N 421.494 1.681 30 10 HDEE C=C(C)CONC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1470680383 SMEZGKAHIXJXSW-UHFFFAOYSA-N 411.503 1.494 30 10 HDEE Cc1nc(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)[nH]c1C 1472620411 AOOMXZRXTGIYIE-UHFFFAOYSA-N 401.492 1.583 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOCC1 1473104595 UBIAEXWNPRISPM-AWEZNQCLSA-N 408.480 1.485 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1477655643 DDFWLYOKWGSMTR-LJQANCHMSA-N 418.563 1.484 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@](CO)(C(F)(F)F)C3)C2=O)cc1 1478568694 QPSZYTDBUSIUAX-CRAIPNDOSA-N 410.396 1.615 30 10 HDEE C#CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1479290748 DXCOCDKNXNTWOQ-OAHLLOKOSA-N 401.529 1.464 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1503406206 FGJQYCMZKMPVBI-IRXDYDNUSA-N 416.507 1.076 30 10 HDEE COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504894697 SBPGEZSFSLUJTB-MRXNPFEDSA-N 414.514 1.059 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1507678461 IEUXMJQUUBTCER-NRFANRHFSA-N 403.527 1.839 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)OC 1507710939 XCYSKDZIHHKFJJ-OAHLLOKOSA-N 410.478 1.313 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507803584 HTPORHIYXPUCKX-HOCLYGCPSA-N 402.499 1.342 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(C)=O)CC1 1507843457 YEGVLBQCDUPREO-UHFFFAOYSA-N 401.515 1.624 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1507843923 YMSOWKVLRZVBIL-HOTGVXAUSA-N 415.498 1.897 30 10 HDEE C=C1CCN(c2nnc(COCC)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 1507892091 KKBYOIGOKOCHJW-GOSISDBHSA-N 404.559 1.914 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1508161252 YSPQSLQKGLCEJU-RRFJBIMHSA-N 404.540 1.205 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOC1CCOCC1 1509638276 LBHZLBZZFYVWKB-LJQANCHMSA-N 408.478 1.444 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1517448437 QFFPQNXPJIXUDF-HOTGVXAUSA-N 418.542 1.904 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CCO1 1518911255 CBSPZNQYSDYSKH-SFHVURJKSA-N 417.535 1.784 30 10 HDEE Cc1nn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(=O)n1C 1538726981 OFJKZJWVQYLXQO-HTQZYQBOSA-N 422.276 1.520 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C 1538970215 AWHLNCYAURUKJT-NXOAAHMSSA-N 411.572 1.797 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539120537 XHZIGEIVKNUFOM-LJQANCHMSA-N 416.570 1.924 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539201690 BVJASXCREDFKBB-MGPUTAFESA-N 420.535 1.703 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1539368960 FVMFPBDINFJTJC-CVEARBPZSA-N 405.524 1.536 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N(C)CC 1539400587 HYIGLNPWQXQBLD-UHFFFAOYSA-N 421.505 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)C[C@H](C)C2)CC1 1539446410 YCNGVEPUSCZSAP-PMACEKPBSA-N 422.581 1.858 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1539482270 KTMCXDHKVQLTMP-LJQANCHMSA-N 416.570 1.163 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1F 1539553357 KGIBYLJNPGTXFO-UHFFFAOYSA-N 421.454 1.707 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cncn2)CC1 1539743030 SCNWEZSVCYCIBK-UHFFFAOYSA-N 411.514 1.779 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](C)C1 1540864911 OQHCZCZHBZITKS-OAHLLOKOSA-N 417.535 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCOC1 1540905104 SKSAAVHUYBZPHX-MRXNPFEDSA-N 405.524 1.337 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C34CCCN(CCC3)C4)CC2)cc1 1543121264 HLNABXUMXROCRL-UHFFFAOYSA-N 402.520 1.267 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 1543794045 KUFPPSARCMDOBS-IEBWSBKVSA-N 403.504 1.643 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cnn(Cc2ccccc2)c1)c1cc[nH]n1 1543872131 XPYSQMMNUQTZBC-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1nccn1Cc1ccccc1)c1cc[nH]n1 1544928830 VNFNGCYPEFOFHH-UHFFFAOYSA-N 424.461 1.597 30 10 HDEE CCCN1CC[C@@H](Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 1547176001 HQYRHHNEBGQCMZ-ZWKOTPCHSA-N 423.569 1.949 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2ncccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367773 MVZPBNYIJYUWMF-OAHLLOKOSA-N 418.379 1.444 30 10 HDEE COC[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555351849 CLMXIJBTAYQDIC-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1555494432 PFLSUZFKGSXONI-SFHVURJKSA-N 409.494 1.894 30 10 HDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1555932123 BSLFUJWHSRGUEX-UHFFFAOYSA-N 408.553 1.555 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O)c1cc[nH]n1 1556431293 SHOOKEFWBNGVBO-ONIAQPFYSA-N 420.510 1.872 30 10 HDEE C#C[C@H](CO)NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1556796400 WWMRWOBGADXFOI-SECBINFHSA-N 403.158 1.773 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(C)(C)C)C(=O)OC)s1 1557174564 DJMIRXXRSNUSCJ-CYBMUJFWSA-N 402.538 1.849 30 10 HDEE CC(C)(CO)[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cccnc1 1557216046 CITVIFCYCFKACH-GOSISDBHSA-N 416.503 1.386 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)C1 1557239433 CIKBCSVEVVRHSU-GOSISDBHSA-N 409.490 1.850 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1558707434 PFSJRDMCTZPCII-WZHMAMEKSA-N 421.494 1.564 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C)C(=O)OC 1561512052 LTVYZOYRJHXBBD-QGZVFWFLSA-N 407.492 1.571 30 10 HDEE CN(C)c1nccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1566887583 CZTHLWLETBHKFO-FAGJFJLWSA-N 414.510 1.946 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)C1 1567388502 YLNBMBWWXURNDT-JGGQBBKZSA-N 402.426 1.812 30 10 HDEE C#CCN(CC(=O)N(C)CC(=O)Nc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 1570017213 JPIXFVRRSPZTDG-UHFFFAOYSA-N 419.478 1.971 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC3(C#N)CCCC3)CC2)c1 1583462238 FBYTXCBTDKLHOA-UHFFFAOYSA-N 404.536 1.647 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)C[C@H]1CS(=O)(=O)C2 1585139603 YUZMYLQARQTMGB-NHYWBVRUSA-N 421.372 1.371 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OCC(F)(F)F)nc1 1587979016 GMEGZPDOEOAJAZ-AWEZNQCLSA-N 422.411 1.877 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588029263 FJHWVNYZMODCNC-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1588890879 HLSAOWWWWNAQCB-UHFFFAOYSA-N 416.526 1.419 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC 1589663154 JCVJZFAHGFUYKF-HOTGVXAUSA-N 415.560 1.296 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1593740500 BKQMIPBHPBQQNG-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@@H]1C 1598158567 HXGYZPOWIWTSRM-INIZCTEOSA-N 412.494 1.726 30 10 HDEE O=C1CN(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCN1 1598483720 OUSHQHROTZEMEX-YUMQZZPRSA-N 409.277 1.048 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CC(=O)N(C)C 1612884728 FCYWXOFRXMEQGP-HNNXBMFYSA-N 423.525 1.401 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1=O 1613380203 HBBSHBMZMWCDEX-OLZOCXBDSA-N 401.385 1.482 30 10 HDEE CN(OC1CCCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1618370920 FDRIEJHJYOKHNA-UFOSLELVSA-N 416.482 1.619 30 10 HDEE CO[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1(C)C 1619526086 PRBHZSHVAACCCC-CZUORRHYSA-N 419.507 1.554 30 10 HDEE C#CCC1(O)CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 1620532327 HRBBEMCGLCJOKF-UHFFFAOYSA-N 419.547 1.066 30 10 HDEE COc1ccc([C@H](OC)[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1633667181 ZUSIZNZDPBTQOR-ZSFPCNDZSA-N 407.492 1.351 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635472676 XUHMWSHHPNESCL-LPHOPBHVSA-N 421.563 1.689 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C1CCOCC1 1637128566 PLULYHSHPJBILF-IBGZPJMESA-N 420.535 1.318 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](c4nc[nH]n4)C3)C2)C1 1643293005 QCTMEENIBCKIKN-UTFQJDELSA-N 400.483 1.907 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H]3CCCN(C(=O)C(F)(F)F)C3)cc2C1=O 1643909859 GFEWTJPDXVLZDD-GFCCVEGCSA-N 423.391 1.999 30 10 HDEE COC(=O)c1cc(C2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)no1 1644267524 HIBFEGWZLNLMRZ-UHFFFAOYSA-N 403.460 1.986 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1644587100 DEIRWXRXIWNAPH-IBGZPJMESA-N 401.488 1.923 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)C2(C(=O)OCC)CCOCC2)c1 1648074068 BALFDMXUOVQCIV-MRXNPFEDSA-N 421.515 1.962 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCc1cccc(OCC(F)(F)F)c1 1653169900 FBIGQISILNWXRB-UHFFFAOYSA-N 424.427 1.985 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 1654001488 HHWIPELERCAHMJ-INIZCTEOSA-N 402.520 1.831 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C1 1654412451 RDFSRZGPRRSLOW-GDBMZVCRSA-N 413.503 1.485 30 10 HDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)C1 1654944500 OFYCXZAVCGQZBU-SFHVURJKSA-N 417.550 1.821 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1660118661 OKIDCFVYYJKRBC-IBGZPJMESA-N 403.548 1.482 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)cc1 1661919191 MYINJURPRVNVNH-OAHLLOKOSA-N 404.492 1.655 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3ncco3)c2C)CC1 1662279515 HOLCJRCIXBPCLE-UHFFFAOYSA-N 403.464 1.267 30 10 HDEE CCCN1C[C@@H](CNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1=O 1663962739 BMFLCHCPGAJXAA-LLVKDONJSA-N 400.298 1.858 30 10 HDEE C[C@H]1CN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)[C@@H](C)CO1 1664378473 DCFJEOSZNWYSJS-RYUDHWBXSA-N 402.314 1.708 30 10 HDEE Cc1cc(C#N)cc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1670905546 HTSZAFYDGIFIPJ-UHFFFAOYSA-N 419.429 1.849 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(C(=O)OC)c(NC(C)=O)cc1Cl 1674297454 DNSBTYSNWZRIIR-UHFFFAOYSA-N 417.871 1.807 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)NCC(C)(C)CN(C)C)CC1)C1CCOCC1 1674596350 DNIIHLKRROPSAT-IBGZPJMESA-N 406.571 1.540 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1 1682795361 ULIGNSFBMIUIGW-UHFFFAOYSA-N 408.543 1.751 30 10 HDEE COc1ccc(CN2CC[C@@H]2CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cc1 1682849282 MCXICXWKLJBMOP-MRXNPFEDSA-N 411.510 1.721 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@@H](CS(C)(=O)=O)C1)c1ccc(Br)cc1 1683512030 FYBUDEQHESXBQY-HUUCEWRRSA-N 415.309 1.578 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 1684847636 LQYANPVFXLYJPE-VPWXQRGCSA-N 404.488 1.501 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CCC(=O)NC)c1 1689870661 WAQSNFRBYZELHC-UHFFFAOYSA-N 419.489 1.476 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1689990143 MCLFQIFPWDSDQM-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1ccnn1 1690034560 LQXMBVGBEBDUFL-NRFANRHFSA-N 411.510 1.463 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@H](F)C1 1690093556 CEIYUQGNNISUGJ-ZNMIVQPWSA-N 401.508 1.113 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnn(C)n1 1690097772 OGDINISEIWMGOJ-UHFFFAOYSA-N 416.873 1.265 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1690104533 ZAWIZCKCOBJGSQ-HNNXBMFYSA-N 421.523 1.173 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690188957 QYWLAKMUAYEKOE-FZKCQIBNSA-N 422.507 1.483 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC)CC1 1690244571 ZEZYXBYNOMSNDC-FUHWJXTLSA-N 413.526 1.622 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690299316 NEFQKWDJAKJMFP-JYJNAYRXSA-N 418.498 1.051 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690481685 MKFZYFYZIMIYBL-ROUUACIJSA-N 402.543 1.744 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1690484958 HZPXPRJLSCIUDG-RCCFBDPRSA-N 423.583 1.303 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690508185 CURHFNVZUVBFTL-MSOLQXFVSA-N 407.515 1.106 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](OCC=C)C1 1690659382 QXZDBLVXFPCYBO-HNNXBMFYSA-N 411.466 1.009 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(O)(Cc2ccccc2F)CC1 1690672579 WRXAHHNBNAGQNM-UHFFFAOYSA-N 401.486 1.856 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1692665656 YDWHLFWSXADJBM-AUUYWEPGSA-N 418.523 1.813 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1696580344 UODFLOUJKMJUFG-JOCHJYFZSA-N 421.505 1.544 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1696929816 IEZQMBSEMNMIAJ-OAQYLSRUSA-N 409.494 1.305 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697782190 RILFZCQHLJNTTI-DLBZAZTESA-N 415.473 1.360 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1698223106 JCRGXFQDFJVAHS-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701007164 GCSJWHPACUNBJZ-WEZPBNDISA-N 402.539 1.389 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1705491416 CJCQVORMUOPWRW-INIZCTEOSA-N 422.537 1.436 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC[C@@H]1COCCO1 1705540620 HORRUKUFSAXSRO-QGZVFWFLSA-N 417.897 1.736 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1705559844 GHHWBVLTRIATRI-KXBFYZLASA-N 406.508 1.529 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705561440 QHGVKLCDFCTOMO-LMMKCTJWSA-N 421.611 1.970 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCn1cc([C@@H]2CCOC2)cn1 1705582341 ZCNJCYSBAOAWAC-UYAOXDASSA-N 408.506 1.993 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@H]1COCCO1 1705629333 FEAJCAQNAKGHEG-SFHVURJKSA-N 400.479 1.379 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCS(C)(=O)=O)CC1 1705644214 JCKDMNAWZOILPJ-OAHLLOKOSA-N 409.556 1.192 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1705651775 HJSHNGMNAJYHFT-UHFFFAOYSA-N 423.506 1.212 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1 1705667102 IGETVNNKMCWQSS-LJQANCHMSA-N 419.551 1.331 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1705861826 QEZYDCQWPPESJN-OAHLLOKOSA-N 418.448 1.803 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H]1[C@H]1CCCO1 1705894892 NPWXUMQBJBYLCN-DLBZAZTESA-N 418.542 1.647 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1705895571 LKAPPFQWLQVRAA-LJQANCHMSA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCOC(C)(C)C1 1705904424 OYWHDRMVWAETCU-QGZVFWFLSA-N 413.478 1.708 30 10 HDEE CCOCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1710627408 GXUNIGJIVSHPDA-RDTXWAMCSA-N 413.519 1.685 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1711397062 BLUVNSNAYOUHGP-UHFFFAOYSA-N 419.493 1.013 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCC2)c1 1711703079 GGAWTTXLMHBFDG-GOSISDBHSA-N 413.478 1.996 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@@H]1C 1712521857 NIUOOXZURRYEBN-DLBZAZTESA-N 406.531 1.463 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1722356207 CTPYMIGOZYUNSO-UHFFFAOYSA-N 400.527 1.115 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1722362938 XGQGSPBVCRSWDW-MRXNPFEDSA-N 416.551 1.384 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnnn1C 1722394717 CGFOSGDPILCODY-UHFFFAOYSA-N 413.283 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCNS(C)(=O)=O 1722400873 COEODFQPIYUODR-UHFFFAOYSA-N 415.519 1.178 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)NC[C@H]2C1 1722581755 XSHFFIXPEXCQBU-HNNXBMFYSA-N 401.515 1.330 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@H](C(N)=O)C1 1722693310 JVIUZFHZPHOPEH-ZDUSSCGKSA-N 420.420 1.160 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722858982 SFNUYKSQMQCYTN-YOFSQIOKSA-N 408.506 1.940 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1726567591 PUBFGUNOAVPJGH-SYWZAZHRSA-N 400.483 1.545 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1726636978 DLCUCEVQPNXQSG-WMLDXEAASA-N 421.505 1.398 30 10 HDEE CC[C@H](C)c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727047797 OYAYFLYOFQWBOB-KAQLYBEJSA-N 402.499 1.932 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1728186388 NCKLYTYGFVJBSC-IRXDYDNUSA-N 424.461 1.847 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1731000429 QURGWUHGSFITEZ-YOEHRIQHSA-N 419.507 1.698 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740533219 ACQGYDKCVAKRQD-IIBYNOLFSA-N 405.543 1.939 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCCOC1 1740607124 FFPXHVBTOKLBGA-OAHLLOKOSA-N 402.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1740643160 BMEUHJLPDIITJM-UHFFFAOYSA-N 423.370 1.748 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740651122 ZMNPOWDKYOSYBI-KRWDZBQOSA-N 412.515 1.851 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1740696261 POHYXDYXQPXYBP-UXHICEINSA-N 400.571 1.659 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(O)CCN(C(C)C)CC2)CC1 1740696327 RCWYOBUKGROJIU-UHFFFAOYSA-N 402.587 1.467 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2ccco2)CC1 1740698406 VAXWPYGCASOHCJ-QFIPXVFZSA-N 406.490 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H](C)N2CCOCC2)CC1 1740705653 KSOKPPOGRFLMQS-QGZVFWFLSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1740717980 FDWSSJBYSARJMV-KRWDZBQOSA-N 405.568 1.843 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCN(C)C2)CC1 1740842964 SABBTWZYKPGCIL-WFXMLNOXSA-N 405.543 1.471 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](C)O[C@H](C)C1 1740955488 VVTHDDPIYAKDRJ-HUUCEWRRSA-N 413.478 1.632 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740962823 PWEMLVADWSSUAB-UHFFFAOYSA-N 418.439 1.555 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC=C(c2ccccc2)C1 1740963535 NYBKEKRDTWSDHJ-UHFFFAOYSA-N 420.517 1.996 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(=O)N(C)C)C1 1740979824 LNLORNVCTGLDPW-CQSZACIVSA-N 423.477 1.463 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1740989424 MNWPZNIFSRWEKE-IBGZPJMESA-N 419.482 1.996 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1741075144 SKIMLGZSZZUUOP-XMSQKQJNSA-N 421.505 1.400 30 10 HDEE CC(C)[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741400668 SCKNWHXBARPDIA-JHHGQVAESA-N 416.526 1.963 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1 1741802961 MRCQZEGFQUMSHB-GDBMZVCRSA-N 422.555 1.225 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1)N(C)C 1741833270 DJIYVRUJMOODIC-BTYIYWSLSA-N 409.494 1.798 30 10 HDEE C[C@@H](Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1)N1CCOCC1 1741843934 CJHYKBWFPDRADU-KRWDZBQOSA-N 418.505 1.964 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC1CC1 1743754185 SMKAJMSEHSCUFH-INIZCTEOSA-N 422.537 1.911 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1748093739 KILWUBDOAQGXED-MRXNPFEDSA-N 412.494 1.726 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748843469 FMXSQVFRTXSATE-SFHVURJKSA-N 419.489 1.444 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1cccc(N2CCOCC2)n1 1748965603 WZDZMJCXBVSNRI-UHFFFAOYSA-N 410.522 1.597 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)COC)CC1 1748977857 KPOSETOHOLAFMY-NQIIRXRSSA-N 405.543 1.356 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCOC2)CC1 1748979305 XROPJYXWPUKONK-FQEVSTJZSA-N 401.898 1.505 30 10 HDEE C=C(Br)Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1749103948 ICPGHSPUENLSBF-UHFFFAOYSA-N 413.364 1.643 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749193264 DKIMRRBQSJSEES-QZTJIDSGSA-N 404.559 1.785 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1749234333 DRGYDHIAJLOJJP-GVDBMIGSSA-N 403.508 1.711 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCSC[C@@H]1C 1749666065 FVODTNGPTCSJJO-LBPRGKRZSA-N 404.496 1.250 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](CC)C1 1749730856 SVUSWVUNUMWEIH-AWEZNQCLSA-N 421.523 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOC[C@H](C2CCC2)C1 1749734756 MFSHCUNSCIDLHL-QZTJIDSGSA-N 424.567 1.636 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1750580568 GLYDSZIKVYYWTJ-KFKAGJAMSA-N 409.556 1.717 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@](C)(O)c1ccccc1 1751930113 GIIMVLKUWZILHG-KSFYIVLOSA-N 418.505 1.871 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1760187476 JWRSQTLOPUDGIP-UWVAXJGDSA-N 424.567 1.698 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H]1CCSC1 1760520007 XKXOYJZPZHFDNL-AWEZNQCLSA-N 401.492 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(C)(COC)CC1 1760556252 XRUXZUFZMBCHSD-INIZCTEOSA-N 412.556 1.636 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760562500 LMBPPMKLNGRXKI-JKSUJKDBSA-N 401.540 1.845 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@@H]2C)n1 1762407766 DBBOXUPYYLAXRR-AEFFLSMTSA-N 400.531 1.599 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC1(C)C 1769092493 ZOQZQNZTPKFYJL-GOSISDBHSA-N 424.505 1.537 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#CCN2CCCC2)cc1 1850309487 GOQOJSNNYPTGIE-FQEVSTJZSA-N 419.547 1.454 30 10 HDEE N#CC1CCN(C(=O)CNS(=O)(=O)c2ccccc2C(=O)c2ccccc2)CC1 1850852319 YBJHVQCQGRORCK-UHFFFAOYSA-N 411.483 1.958 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nc3ccc(I)cn3c2Cl)CCO1 1851201291 XQSCJLZHGPSDRT-SECBINFHSA-N 416.606 1.957 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1 1852813893 ZPUSDFNXMJHKAX-LJQANCHMSA-N 408.502 1.011 30 10 HDEE Cc1ccc(C(=O)N2CC(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)C2)cc1 1853331259 KNYJESWLERPWOT-UHFFFAOYSA-N 417.409 1.938 30 10 HDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)c2cc(=O)n(C)c(=O)n2C)c2ccccc21 1853637514 PBBLSUJIYXJORM-AWEZNQCLSA-N 409.446 1.160 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853675878 UBKWYYSZLIUDEZ-QGZVFWFLSA-N 413.478 1.198 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3nc4ccc(F)cc4s3)CC2)CC1=O 1854348187 SZHYYHPBJCITDS-ZDUSSCGKSA-N 401.467 1.846 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 1854443388 DMNLIBKFYFBUMK-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE COc1ccc2c(c1)CC[C@H](C(=O)N1CCN([C@@H]3CCN(CCC#N)C3)CC1=O)C2 1855029437 SUMRRUJZUFDZHR-VQTJNVASSA-N 410.518 1.459 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3nccc(N4CCOCC4)n3)C2)CC1 1855127485 XKSAJXLSRUVXKF-GOSISDBHSA-N 413.522 1.734 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)[C@H](F)C2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856236215 ZZXNKWXRLCDVEU-AUUYWEPGSA-N 414.485 1.372 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1F 1856313276 KTRODNIKGSJDCE-UHFFFAOYSA-N 409.439 1.420 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1856532176 SSJATEHPFNXBJZ-ZBFHGGJFSA-N 414.897 1.319 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4ccncc4)C3=O)CC2)c1 1857016118 QXMUYYYPIGURMA-LJQANCHMSA-N 405.458 1.880 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@@H]1CCN(C)C1=O 1857076373 GIEKZXHPWDNQGK-IAGOWNOFSA-N 418.563 1.786 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CCc3ccc(F)cc3)C2=O)C1 1857107366 SCIOVVAPJDYFHB-IBGZPJMESA-N 408.433 1.916 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cccn1 1857249741 XFHHVJPNUSUNCW-DLBZAZTESA-N 406.490 1.965 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858304062 FTFYZOJERSKYTE-INIZCTEOSA-N 415.471 1.768 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)C1CCN(Cc2ccccc2Cl)CC1 1861176894 MYODCJPZTLCGQP-HKUYNNGSSA-N 405.926 1.816 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(O)c(O)c1 1862752250 WDGPKZCWMRKPKZ-BMLIUANNSA-N 414.370 1.965 30 10 HDEE C=CCN(CC=C)c1nc(=NCCO)nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]1 1871657502 LROQGTGJHHQIMY-UHFFFAOYSA-N 424.553 1.372 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1Cc1ccco1 1873598069 OZEBZJAPVFKATG-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)N3CCN(CC)C(=O)C3=O)ccc21 1891036949 UNQUKIKVVMGKLF-UHFFFAOYSA-N 414.462 1.847 30 10 HDEE Cn1cc([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(Br)n1 2074367877 OPGSEESALLPHAT-DGCLKSJQSA-N 413.320 1.627 30 10 HDEE N#Cc1cncc(C[S@@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074701913 JZPIRSFAEIMTMT-UULLZXFKSA-N 401.444 1.972 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(O)(CNC(=O)OC(C)(C)C)C2)C1 2243277386 SZDVJYWIHZAZMB-UHFFFAOYSA-N 423.510 1.391 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2247284767 CFIMYBPERIZSTL-HZPDHXFCSA-N 419.331 1.845 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2247826229 QGINDLPZGYNPFA-HZPDHXFCSA-N 408.311 1.569 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247855992 BHALINRLPIBQQP-HNNXBMFYSA-N 413.331 1.365 30 10 HDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247918152 NDHUSJCALZDWDV-STQMWFEESA-N 420.319 1.837 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H](C)CC[C@@H]1C1OCCO1)B1OC(C)(C)C(C)(C)O1 2255954019 RRCLDIUTCUAKFB-DZGCQCFKSA-N 401.334 1.977 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CCCC1 2258151055 JSLLMTBDGOAOMW-INIZCTEOSA-N 408.476 1.622 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258183883 ZQCXARHEOBHBGV-DOTOQJQBSA-N 408.476 1.431 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373089 YMUVAICRKJXTJE-MNOVXSKESA-N 407.388 1.438 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270533849 LBCDSCSYNDMOAF-ZWKOTPCHSA-N 422.503 1.868 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2279305328 KTJBDJYWBLCRHQ-GFCCVEGCSA-N 401.363 1.303 30 10 HDEE CCc1nnc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)s1 2282332652 FBARJQVFZKXTOK-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)CN(C)C 2282416590 YAHLJIFCCZTAAR-CYBMUJFWSA-N 402.391 1.664 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](O)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282494703 BDCQDYZYEHIBRG-ZWNOBZJWSA-N 401.359 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]3CO)c(Cl)c2)OC1(C)C 2282496904 JDCXMZRJBJFNED-RYUDHWBXSA-N 401.721 1.546 30 10 HDEE Cn1cc(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282545290 HQKIPUITCQHZHW-CQSZACIVSA-N 405.304 1.335 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H]2C2(C)OCCO2)n1 2282553310 QOQCCCHUNZOQDV-OAHLLOKOSA-N 405.304 1.477 30 10 HDEE CC(=O)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282838830 VCSQXOSZEPSHMI-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@H](CN)CC3)c2)OC1(C)C 2282847800 FDSSETDMKFHDJP-MQMHXKEQSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@@H]2CCO)OC1(C)C 2282849916 IOVRPZSZDBQEIK-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282853429 CSTCXCAIFZOCLU-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE COC(=O)C1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282859263 KADQYLZZOLDTTO-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE CC1(C)NCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866107 DGQIQVNMFPBGLA-CYBMUJFWSA-N 400.375 1.607 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](CN)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282866252 GOODAPJSINLHIY-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE COC(CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)OC 2282874666 DKMRJESREPKLHH-UHFFFAOYSA-N 405.347 1.428 30 10 HDEE C=C(CS(=O)(=O)NCc1nc(C(=O)O)c(C)s1)B1OC(C)(C)C(C)(C)O1 2284399999 QMBDHDLYGQBQIJ-UHFFFAOYSA-N 402.303 1.757 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284408275 UUUHWTAHOWFAEH-JTQLQIEISA-N 403.693 1.733 30 10 HDEE CON(CCC(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284409378 IJNRBIGQXNTCRD-UHFFFAOYSA-N 405.303 1.215 30 10 HDEE CCSC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284410585 CQCUWLUQODHPHQ-NSHDSACASA-N 421.371 1.532 30 10 HDEE CC[C@@]1(C)[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2361946122 DOBGLZPFYACHIU-GUYCJALGSA-N 401.359 1.971 30 10 HDEE C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)S1(=O)=O 2362565406 DTJLFRFZWNMZCS-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE COCC[C@@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 2365175599 IQOGOMYNRTZRNJ-DNVCBOLYSA-N 403.541 1.980 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(NC(=O)OC(C)(C)C)CCCOC1 2365197796 XFCPFYJUVGOGOT-HNAYVOBHSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2365210101 JEIALVBSSBUVLV-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE Cn1nccc1C#C[C@@H](N)[C@H](O)c1ncc(Br)cc1Br 2367754865 RNTOAKJURVJJMS-YPMHNXCESA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367799595 BSJZTYNXKLZORC-XHSDSOJGSA-N 401.525 1.780 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(CNC(=O)OC(C)(C)C)CCCO1 2367799679 CFIDWOVDQLIOFK-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H](CC)NC(=O)OC(C)(C)C 2367807761 WTDCFXXEXLECMU-ARFHVFGLSA-N 402.557 1.599 30 10 HDEE C#CCCN1CCC(=O)N([C@]2(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)C1=O 2373198339 CAFZDSIUZXXXQE-OAQYLSRUSA-N 413.430 1.530 30 10 HDEE COc1ccc(/C=N/N=C(\N)c2nonc2N)cc1CSc1nnc(C)s1 17082862 GWYHACBAQOEFCB-NGYBGAFCSA-N 404.481 1.852 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 22812889 UAEHBUAETODTML-JOCHJYFZSA-N 402.539 1.428 30 10 HDEE Cc1ccc([C@H]2c3c(nc(N4CCC5(CC4)OCCO5)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72444407 GQNICAINSPNZDF-HZPDHXFCSA-N 421.457 1.645 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NCC#CCOc3ccccc3C(N)=O)CC2=O)cc1 90743824 MEAVFYJWTICGJP-MRXNPFEDSA-N 421.453 1.346 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)CC1 97023393 CZRFQMDQSXIZOW-UHFFFAOYSA-N 408.853 1.609 30 10 HDEE C#CCN(CC(=O)O)S(=O)(=O)c1cc(Br)sc1Br 98032031 XRDSSLPDPBQLQE-UHFFFAOYSA-N 417.100 1.982 30 10 HDEE CCOC(=O)/C(=N/Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)C(C)=O 100206402 STEFXMQKKTWXKP-CJLVFECKSA-N 419.463 1.814 30 10 HDEE CCOc1cc(/C=N\n2c(S)nnc(C)c2=O)ccc1OCC(=O)N(CC)CC 169882227 HCCJVTMTHYNPJA-JAIQZWGSSA-N 419.507 1.764 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@@H](C#N)C1 432928355 REOLVEKBGDEWAV-AAEUAGOBSA-N 401.282 1.610 30 10 HDEE CN(C1CCN(c2cnccn2)CC1)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 433458765 UYCIAOHKAJFZAS-UHFFFAOYSA-N 402.436 1.546 30 10 HDEE CCOc1cccc(CCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 434435097 PORBFAGUPJRIIW-HNNXBMFYSA-N 401.488 1.983 30 10 HDEE CNC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 435954883 RMOUMVWRDKUJED-KBXCAEBGSA-N 414.487 1.219 30 10 HDEE C[C@@H](Cc1ccc(Br)cc1)NC(=O)C(=O)Nc1ccn(CCC#N)n1 444502449 OWDMGWQFCQTXLP-LBPRGKRZSA-N 404.268 2.245 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)cn1 462091179 XTUODVHJROBKME-SFHVURJKSA-N 416.445 1.847 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2c(-c3cnn(C)c3)nc3ccccn23)CC1 465236375 UKCRVLXWBOAVDD-UHFFFAOYSA-N 422.493 1.187 30 10 HDEE Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C 466661671 RLMRWKOGWCWYEK-UHFFFAOYSA-N 406.406 1.175 30 10 HDEE C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 474192010 JYNAACPJMJZGQR-XMSQKQJNSA-N 417.554 1.597 30 10 HDEE COC(=O)c1cn(C2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)nn1 480714874 HFWNUIUGUMXHMV-UHFFFAOYSA-N 407.427 1.242 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1 482833648 GXABWSIKLHDSHL-DZGCQCFKSA-N 407.492 1.415 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 490745780 MDMAROSVHSJXFO-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE C[C@@H]1CCCC[C@H]1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 497556809 QALJFPZYFHLWSA-SJLPKXTDSA-N 405.520 1.986 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC1 498720790 SKVZKPZNYLSMPV-PZJWPPBQSA-N 413.566 1.526 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1C 500498343 HKUXSQSHTUGSQA-UHFFFAOYSA-N 418.461 1.468 30 10 HDEE CC1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 503985369 WSCMGAGGIITTEO-UHFFFAOYSA-N 406.508 1.543 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505281927 UDEFTEAVLHUGKW-KRWDZBQOSA-N 406.446 1.270 30 10 HDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCN2CCOC[C@@H]2C1 508892584 DARNGGMEEHHYTC-INIZCTEOSA-N 415.494 1.678 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)Cc1ccc(OCC(=O)OC)cc1 508908723 VQOYGMLEXGKLKN-KRWDZBQOSA-N 402.451 1.740 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1C(F)(F)F 511025181 CPRUYPTXSBLCAZ-UHFFFAOYSA-N 415.315 1.972 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC1 512473990 HOVIJVLZQIEKDP-WOJBJXKFSA-N 415.513 1.555 30 10 HDEE Cc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1CC(=O)NCCn1cnc(C#N)n1 552680071 DQILXISNEPVJHA-UHFFFAOYSA-N 418.383 1.725 30 10 HDEE C=CCN1CCC(NC(=O)NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)CC1 553581427 CVGMCUJIHNFQNN-OAHLLOKOSA-N 412.581 1.708 30 10 HDEE CCN1C(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CCN2C1=O 610591069 DDDDDFZUMVOVJU-LBPRGKRZSA-N 416.381 1.234 30 10 HDEE C#CCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CCS(=O)(=O)C1 729332483 OUDYBUIPHULJMQ-WFASDCNBSA-N 412.920 1.792 30 10 HDEE CC(C)OCCOCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706394 IKDSDZIIPRJRRZ-HXUWFJFHSA-N 414.506 1.765 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccccc1C 733198592 ZMFNNBMNOMHCEM-HIFRSBDPSA-N 411.549 1.886 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 734271096 DEMZLJCLMPIHBE-KRWDZBQOSA-N 413.522 1.504 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)C1CC1 737200188 YWIMRDBNMAAJDG-HXUWFJFHSA-N 409.490 1.335 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(Br)cn1 741339981 ALUWWRHTFUAZGZ-NXVVXOECSA-N 423.223 1.242 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(C(=O)c2cccc(F)c2)CC1 742176787 PCLDOVKNFPCAGE-UHFFFAOYSA-N 402.451 1.697 30 10 HDEE C[C@H](OC(=O)[C@H](NC(=O)C1CC1)[C@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745744053 GRVRKVJFTJHLGY-AMJWSMQMSA-N 405.476 1.254 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@]2(CCCOC2)C1 746875140 FQPICTHYDKZBQW-HXUWFJFHSA-N 405.520 1.925 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)CCS(=O)(=O)c1ccc(F)cc1 748878348 QNFPHYWWAPTJGC-UHFFFAOYSA-N 410.448 1.539 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 757887627 DAISBFVVYVZPIM-SXWSKBOKSA-N 414.388 1.466 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 765521407 XYUGEYDLVNGYAL-CQSZACIVSA-N 422.507 1.351 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 767426743 LZSQUHBIXNPSEG-ZIAGYGMSSA-N 409.309 1.983 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(CC)c2=O)cn1 772274528 FOSUPDIPUKNEEY-UHFFFAOYSA-N 406.467 1.621 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1O[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 774240580 LIYSJYTYKBTWOC-QZTJIDSGSA-N 406.504 1.495 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n1 788815600 QYRCWRFQSCPOOH-KRWDZBQOSA-N 410.474 1.553 30 10 HDEE C#CCN1CCC(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)CC1 797582660 LLXDGYDSHPETMP-NRFANRHFSA-N 420.531 1.330 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)n1cnc(C#N)n1 798746719 ZHMYJTORLQWWOR-CYBMUJFWSA-N 405.418 1.956 30 10 HDEE C=CCCOCC(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 810733142 SEMQXUDZMHQZRA-UHFFFAOYSA-N 411.205 1.894 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)CC2)c1C#N 812467615 XHFQRQIGRUYJLC-VOTSOKGWSA-N 417.514 1.513 30 10 HDEE C[C@@H](OC(=O)c1cnc(C(F)(F)F)c(C#N)c1)C(=O)NC(=O)NCC(F)(F)F 815477358 GOVCFFHEHXLVRM-ZCFIWIBFSA-N 412.246 1.905 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)Cc2cn(C)nc2Cl)cc1OC 815908494 CMVJTYRLUKOVBE-AWEZNQCLSA-N 404.854 1.701 30 10 HDEE CCOC(=O)c1cc(COC)cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1 817012663 DTPHVIGUMAPRRQ-VHEBQXMUSA-N 401.419 1.865 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@@H]1CCS(=O)(=O)C1 914678761 OJXSRIWMMUUSSA-YSVLISHTSA-N 408.476 1.197 30 10 HDEE CC(C)(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 916201527 REUNHPYVUVEANX-UHFFFAOYSA-N 422.554 1.566 30 10 HDEE COc1ccc(-n2nnc(C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)c2C)cc1 916778223 SSWLIIPWMITZQG-UHFFFAOYSA-N 411.443 1.716 30 10 HDEE C[C@@H]1CN(/C(=N/[C@H]2CCCC[C@@H]2N)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)N1 1088685266 XGJYOIZSFPLIEW-KNCCTNLNSA-N 408.572 1.054 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCC3)c1=O 1116156860 JQUMCFJBZKPGEN-UHFFFAOYSA-N 408.523 1.917 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc3n2CCOC3)cc1 1125202781 PJTZGZGJZPNHML-PGMHBOJBSA-N 403.464 1.478 30 10 HDEE Cc1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCC(=O)NCC#N 1128802447 YWURHVQUVDAGJS-CQSZACIVSA-N 404.471 1.133 30 10 HDEE COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N(C)[C@@H](C)CC#N)c1OC 1135178848 BGSFMDUHBDNJNE-ZDUSSCGKSA-N 411.480 1.099 30 10 HDEE C#CC[C@@]1(C(=O)NCCS(=O)(=O)C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1147002070 YUHIJPSYEQPHKX-HNNXBMFYSA-N 412.430 1.830 30 10 HDEE CN1C(=O)C[C@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1=O 1155657195 VZMLFGKARAGKLV-INIZCTEOSA-N 422.466 1.776 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC(Cc3ccc(Br)cc3)C2)C1=O 1157938845 QWNKBTDMVAMQKW-UHFFFAOYSA-N 420.263 1.427 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1158504023 URGPUPXOERGFKC-MJGOQNOKSA-N 418.902 1.762 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@](C)(Cn1cccn1)C(=O)OC 1158752822 UADPMOLVGVNRPL-FZKQIMNGSA-N 414.890 1.967 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](CO)Cc2ccccc2)ccc1F 1166403474 ZIMOVARRAAJSHW-QGZVFWFLSA-N 406.479 1.966 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1167023660 CRWNVXKRJFFVEP-VHTFYLNKSA-N 422.453 1.523 30 10 HDEE COC(=O)CCN1CCC[C@H](N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 1169811600 PHXGIVDOIJBBOB-SFHVURJKSA-N 404.898 1.888 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1171219949 SYLAMUNTZYKOLX-HRAATJIYSA-N 423.498 1.704 30 10 HDEE NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N(O)Cc2ccc(F)cc2)c1 1184347897 IIFHCUFZUIUXPJ-UHFFFAOYSA-N 415.830 1.274 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1OC 1184973704 AVPHJIXJSRKGFV-UHFFFAOYSA-N 418.475 1.952 30 10 HDEE C=CCCn1cc(CNCc2ccccc2S(=O)(=O)N2CCN(C)CC2)nn1 1200411725 ICFFJEVJRMMKLP-UHFFFAOYSA-N 404.540 1.080 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2)c1C#N 1254665513 GEGHGASLZMSMLW-UHFFFAOYSA-N 422.493 1.162 30 10 HDEE CCC1(CC)NC(=O)N(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1277745160 BDRQWGQIMNAKJB-UHFFFAOYSA-N 411.506 1.749 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1286299484 WBTFJGZTYKAFOO-IRXDYDNUSA-N 407.584 1.903 30 10 HDEE C#CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286336389 XITAMDJHBXPXKC-QFBILLFUSA-N 410.540 1.357 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCCOC1 1286787698 YQZZZNJAJOPJTB-AWEZNQCLSA-N 416.482 1.171 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286815854 ATIOXCRZASPCMI-UKRRQHHQSA-N 413.544 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)C(C)C)CC2)nnc1C(C)(C)C 1286824343 BGHURQQYTGPADH-UHFFFAOYSA-N 411.572 1.481 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1286836579 NUMZWEUGIZSUGE-OXQOHEQNSA-N 423.583 1.953 30 10 HDEE CC(C)N1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1288006479 VAQHRRJYEYQJPE-CZIZESTLSA-N 413.526 1.602 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(F)(F)c1ccc(F)cc1F 1288583526 CMBKXSDJESEGJO-UHFFFAOYSA-N 415.368 1.912 30 10 HDEE CCCN1CC[C@@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@H](C#N)C2)C1 1294632230 GISIVDUFVIHWJW-SJLPKXTDSA-N 417.558 1.657 30 10 HDEE CN(C)[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CCSC1 1298043057 DPKXYYRZTZFXPJ-XWIAVFTESA-N 407.519 1.108 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1300272965 OMXCCZGOLHRMNM-CVEARBPZSA-N 404.540 1.682 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOCC 1300283574 NNJGIZOQUSZXSQ-HNNXBMFYSA-N 405.524 1.690 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300485456 WSLCZJWFLGPCIW-DOTOQJQBSA-N 416.551 1.759 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1300579350 UBDWWXSBERZUOT-ZWKOTPCHSA-N 403.552 1.127 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1NC(=O)CC1(C)C 1300596781 WPCUKIWWGBFQHX-LNLFQRSKSA-N 413.522 1.380 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2sccc2C)CC1 1300700657 UFDSESGDIPOAHV-MRXNPFEDSA-N 419.576 1.354 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](CC)NC(=O)OC(C)(C)C)CC1 1300716850 SSSDBROFGNNMFC-QGZVFWFLSA-N 418.542 1.856 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1300754059 GTVLFGKXKABSGJ-HNNXBMFYSA-N 400.508 1.983 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1300801932 WVBTZSUSCOOYCZ-IIBYNOLFSA-N 407.478 1.623 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC 1300884858 MHYITSJOTFEOQX-PMPSAXMXSA-N 413.544 1.048 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300944257 SBVJVSOIXYSHDO-LPHOPBHVSA-N 410.526 1.300 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1OC 1301297577 QEZRRCPTZDMQDY-JYJNAYRXSA-N 413.544 1.048 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301303196 XJXJKMLGVLJVLN-IBGZPJMESA-N 411.554 1.829 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301474663 FFGHQUZWUGQLEL-BQFCYCMXSA-N 424.509 1.565 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C2CC2)C1 1301502222 DBBBIHLLSCEYPJ-JKSUJKDBSA-N 418.542 1.882 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CN3CCNC3=O)CC2)c1 1304193485 UEKZYOMHRLPAKK-UHFFFAOYSA-N 406.508 1.028 30 10 HDEE Cc1csc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)n1 1304629690 BFOGUYZLRITDLZ-UHFFFAOYSA-N 414.516 1.865 30 10 HDEE CCOC(=O)[C@@]1(C)CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 1308017857 WOXLXJGZMIABQE-HRAATJIYSA-N 403.479 1.984 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cc1 1309510285 YZINJOQPUMLLSH-UHFFFAOYSA-N 408.501 1.427 30 10 HDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1315679688 BEMJKDHAPKKJRI-FXQLRMTLSA-N 412.560 1.689 30 10 HDEE Cc1nnc(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)c(C(N)=O)c1C 1320496601 ZNJCHEWOADRZDI-UHFFFAOYSA-N 404.474 1.444 30 10 HDEE C[C@H](O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OCc1ccccc1 1324311290 GBPGZSFORUJSQG-KLHJMIIUSA-N 421.453 1.520 30 10 HDEE C#CCn1cnc(-c2ccccc2)c1NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 1358096136 YMKCDDGHYQNSFH-UHFFFAOYSA-N 409.490 1.931 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1358933540 WSZDJOUCGWLGGD-LJQANCHMSA-N 413.570 1.030 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCO2 1359023486 MAUYVXVRVNHBBA-MRXNPFEDSA-N 411.462 1.135 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1359026314 RVZOBHDWYLLQGH-GOSISDBHSA-N 405.506 1.809 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(CC)CC 1359064262 OVYOAASWLJBOIM-FRQCXROJSA-N 410.588 1.611 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)[C@H](C)C1 1359132007 KRUWCGMTWIZGSN-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359183032 BSFXHUFUHDFSNH-HUUCEWRRSA-N 424.571 1.302 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCCc1cnn(C)n1 1359270325 LBNBGQJNXBFWKM-UHFFFAOYSA-N 410.482 1.946 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359296561 NBOCGRCXPOURNP-UHFFFAOYSA-N 410.522 1.942 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359301811 LSMIEQCLQZNVOI-KRWDZBQOSA-N 405.543 1.801 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359341360 URQRAMKWYBWPLS-HNNXBMFYSA-N 414.539 1.695 30 10 HDEE Cc1cc([C@@](C)(O)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1360998672 GOHFNYMTGWMHKZ-JXFKEZNVSA-N 411.466 1.525 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1452435758 GUXYXTLAIOCEJF-RBUKOAKNSA-N 405.516 1.924 30 10 HDEE C#CC1(F)CN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1455266171 DKYALVWPKNBLER-UHFFFAOYSA-N 404.467 1.253 30 10 HDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(C[C@H](O)COc1ccc(CC#N)cc1)C2 1460392294 UQUAWPGGWZIOIJ-SPEDKVCISA-N 402.491 1.782 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCc2c(CC#N)cccc2C1)S(C)(=O)=O 1460572671 YSRDUFNJLQMFBZ-UHFFFAOYSA-N 406.552 1.287 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)CO1 1462814527 CUQHYYFBCNRCKK-IDHHARJASA-N 407.492 1.335 30 10 HDEE COC(=O)c1coc(CNS(=O)(=O)c2ccc(Br)c(C#N)c2)n1 1463993504 FKRXBPIIKFEWJZ-UHFFFAOYSA-N 400.210 1.574 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(N)(=O)=O)c(Cl)o1 1464272334 OWMSFJAQANMGBO-UHFFFAOYSA-N 410.883 1.656 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1464376533 AURZZPAFQJKVJG-DLBZAZTESA-N 400.541 1.985 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1465278482 LUKZWHQKSSESDL-UHFFFAOYSA-N 419.547 1.051 30 10 HDEE N#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1468041355 JPAJXCMYDHRKDA-GFCCVEGCSA-N 406.291 1.395 30 10 HDEE CSc1ccc(CNC(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)cc1C#N 1471338367 XNVWFORXNRDDJY-IBGZPJMESA-N 401.492 1.800 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056424 BQRGGMNSDQKSCS-HZPDHXFCSA-N 402.432 1.679 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478735531 IASUMPSADFRYAB-UHFFFAOYSA-N 405.506 1.735 30 10 HDEE C=C(C)CONC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1478906978 XJDVDAGCXVXNSV-UHFFFAOYSA-N 411.480 1.372 30 10 HDEE COC1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1504469850 ISICBGRDWGSYFA-KZYLPZIUSA-N 409.556 1.981 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1505137241 HOCFYNIRVGKFJG-DOTOQJQBSA-N 418.498 1.865 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1507691014 ZLBCTAPLIYMMIS-LJQANCHMSA-N 415.563 1.772 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(C(N)=O)nc1 1507765042 QIOUWLFVHPPKST-YCRPNKLZSA-N 412.494 1.536 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1507868237 GGZQBIACHDXJQV-HUUCEWRRSA-N 417.963 1.988 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1507967806 KLKTZRGKSHCVPI-AWEZNQCLSA-N 420.539 1.712 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2cscn2)CC1 1508058705 DOOULHUYRLEZBI-CQSZACIVSA-N 408.553 1.145 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(N)=O)nc2)C1 1508130309 UGAYKNIKXRWXGL-GOSISDBHSA-N 419.489 1.587 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCCC2)CCOC1 1508409934 CQAAOFQXTWKTOH-KKSFZXQISA-N 418.542 1.960 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1509945899 FQOQCHMLMRBNBD-MVZUJROASA-N 420.477 1.529 30 10 HDEE C[C@@H]1CCCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C1 1512177314 AVGLYACCLJAEDA-KURKYZTESA-N 415.542 1.250 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1513370913 BOBGJVZUDRZYBF-RTWAWAEBSA-N 417.558 1.393 30 10 HDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1515745314 CUWTVGCLHQGVPC-BZSNNMDCSA-N 406.531 1.461 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CS(=O)(=O)CCCc1ccccc1 1523979445 HMACVYAEVFWZEB-UHFFFAOYSA-N 417.491 1.104 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1525838343 PQNFTTGNQFOWCP-ZNMIVQPWSA-N 421.519 1.199 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](OC)C[C@]2(C)C(=O)OC)ccc1F 1534858536 KAKCZWCYXFZPSD-SCLBCKFNSA-N 414.455 1.083 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C#N)cn1CC 1536589457 NZISGDBLTIATEF-UHFFFAOYSA-N 401.423 1.359 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539141812 IYVGNFVGEAJIDO-RBUKOAKNSA-N 414.554 1.676 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539142448 QLTADSOMMOSGKR-HNNXBMFYSA-N 404.515 1.744 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Cn2cccn2)c1 1539232046 YVLKGWNOYWTOHA-UHFFFAOYSA-N 415.501 1.782 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H]1C(C)C 1539296122 MGJUXEMULNNXOD-KSZLIROESA-N 421.567 1.412 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@](C)(OC)C2CC2)CC1 1539488549 ATOCYUTUNADOSP-NRFANRHFSA-N 403.527 1.596 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1539490926 JUJCLPUMYBMDRP-HUUCEWRRSA-N 404.540 1.030 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1540063834 FADBYNJAGQMKOD-NVXWUHKLSA-N 417.539 1.562 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)C1 1540892999 VESIDCFIYDYGAP-WBVHZDCISA-N 420.539 1.052 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CCC(N)=O)CC1 1540901079 RUZMDPRITOBZJX-UHFFFAOYSA-N 420.539 1.356 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1541988947 CPSSMDYHAOFZJF-DYESRHJHSA-N 416.526 1.899 30 10 HDEE CCS(=O)(=O)N[C@H](C)C(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1542217356 YRUVKTPWFSCLII-SNVBAGLBSA-N 411.534 1.968 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ncccc1N(C)C 1546528209 HATQMHTUVKAUOF-UHFFFAOYSA-N 417.521 1.943 30 10 HDEE CCn1cccc(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)c1=O 1547622927 HQWVNXVHXOAOKJ-UHFFFAOYSA-N 411.510 1.776 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1552423716 UMGRQYIOLUYNOB-OLILMLBXSA-N 412.519 1.444 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H]3[C@H]3CCC[C@@H]3O)C2=O)cc1 1556706623 IWLQKZYCSDBCMU-MKXGPGLRSA-N 410.474 1.915 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1557362135 HCYKXDNWVTWOBI-AWEZNQCLSA-N 406.426 1.654 30 10 HDEE C[C@@H](CC(=O)N1CCC(c2ccon2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1557557949 ILMAMRRQRCXQPL-ZDUSSCGKSA-N 402.476 1.898 30 10 HDEE Cn1c(=O)[nH]c(N2CCC([C@@H]3C[C@H]3NC(=O)OCc3ccccc3)CC2)c(C#N)c1=O 1559201622 CQDFPCJXPVDKBV-FUHWJXTLSA-N 423.473 1.477 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC4(CCNC(=O)O4)CC3)C2=O)cc1 1564689078 CPVOKBIPMYSTQI-KRWDZBQOSA-N 411.462 1.333 30 10 HDEE CN(C)Cc1csc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1564690382 RHZWENYWHRTSEQ-KRWDZBQOSA-N 412.519 1.677 30 10 HDEE CC(C)(C)OC(=O)C1CC2(CC[C@H](CNC(=O)NCCn3cnc(C#N)n3)O2)C1 1564723790 HETXSZXQFNHQNQ-SHYRYGCCSA-N 404.471 1.118 30 10 HDEE CCN1C(=O)c2ccc(C(=O)NCc3cc(F)c(C#N)c(F)c3)cc2S1(=O)=O 1567951606 ONZLLEDWQKHKNY-UHFFFAOYSA-N 405.382 1.931 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(C)(C)CO 1570784038 FFQOFEQRPFYEDU-KRWDZBQOSA-N 404.492 1.083 30 10 HDEE C=CCN(C(=O)c1cnc(I)c(O)c1)[C@H]1CCS(=O)(=O)C1 1583031784 QHNFCVPTPHRAJC-JTQLQIEISA-N 422.244 1.207 30 10 HDEE C=CCCO[C@H](C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182046 AXOSHRSGOPSRFW-HUUCEWRRSA-N 404.529 1.508 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)cn2)cc1 1587769882 NJIKODKYQOVVEV-RTBURBONSA-N 402.414 1.712 30 10 HDEE CCN1CCN(c2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc2F)CC1 1588061975 LUDMHZOLIKWTEY-QZQOTICOSA-N 415.469 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOC(C)C 1588099429 MNNDNKSUBSFTLH-UHFFFAOYSA-N 400.504 1.846 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1Cc1nnn(C)n1 1588181092 OKXAOBPBVDTYQE-OAHLLOKOSA-N 408.441 1.592 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(C)=O)CC1 1588181110 PCXMRLXJPIUGMX-GOSISDBHSA-N 415.538 1.724 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588224381 XQGKKEGJTRYVNX-OALUTQOASA-N 415.563 1.823 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCCCCC2)CC1 1588848672 KNDMOWXQAGJTSH-UHFFFAOYSA-N 407.566 1.895 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1595477727 YFOODBYAGYBMJX-HBGVWJBISA-N 419.526 1.311 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1595785358 YBUMCUXGPSMQRP-MSOLQXFVSA-N 417.535 1.946 30 10 HDEE Cn1c(C#N)ccc1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1596659964 APMMSUGCGVUERX-HNNXBMFYSA-N 416.478 1.959 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1596813251 GPHVQMLGXYNPFR-IEBWSBKVSA-N 424.553 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2nc(CS(C)(=O)=O)no2)CC1 1610921030 SMWPFXLEFZMJEM-UHFFFAOYSA-N 412.468 1.203 30 10 HDEE O=C(c1cc2c(c([N+](=O)[O-])c1)OCO2)N(O)CCCN1C(=O)c2ccccc2C1=O 1611648922 OAEPRJRPHWQWGH-UHFFFAOYSA-N 413.342 1.841 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1613319898 IALSUBFYGRRXGM-VGSWGCGISA-N 424.553 1.451 30 10 HDEE CN(C)c1ncc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1C 1616229794 BSCOMGNBUKTYEW-DBWCEAHUSA-N 416.526 1.889 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)/C=C/c1ccccc1C#N)CCS2(=O)=O 1618580616 GUKRPJFJPCQHMA-QDSAIISDSA-N 402.472 1.587 30 10 HDEE CON(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1620127042 IMNZJOOTRMKBQJ-HNENSFHCSA-N 412.450 1.690 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccsc3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1620149885 VLSBWVIMNPQUAH-MRXNPFEDSA-N 409.512 1.950 30 10 HDEE C=CCCC(C)(C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1622392273 IYZWUHCCRLBGBB-UHFFFAOYSA-N 402.538 1.731 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)cc1 1625284996 KDCKWGBVHKXNNJ-KRWDZBQOSA-N 421.519 1.584 30 10 HDEE C=CCOC[C@H](NC(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C(=O)OC 1626208532 PCIAHQQAIFYSQC-LIRRHRJNSA-N 411.455 1.003 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1nnn(C(C)C)n1 1631178510 BQLSYCVCNSLADK-ZDUSSCGKSA-N 405.484 1.346 30 10 HDEE C#CC[C@]1(C(=O)N2CCCN(CC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 1635378897 QIJTYZBRRJLGKT-OAQYLSRUSA-N 406.527 1.060 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 1637352432 ZQCPXCDXQDCPAF-QAQDUYKDSA-N 406.527 1.993 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1640370618 RDZIQBJZNXUWJC-CFVMTHIKSA-N 417.466 1.115 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1641041315 WMTCNJSNHCSATA-INIZCTEOSA-N 405.476 1.433 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1641407189 ITFZJABNFVSCDX-INIZCTEOSA-N 406.508 1.592 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C)C(=O)OCC 1643588689 FFJDEJZPPSTAER-KGLIPLIRSA-N 403.907 1.728 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)C1 1643878082 MZMQJKDOVKPOAV-VBKZILBWSA-N 422.482 1.884 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H](O)Cc1ccc(F)cc1 1644836055 MPFBSSKDVBPVRB-CXAGYDPISA-N 405.451 1.084 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644909141 HAPFAAXYZZJJRA-CQSZACIVSA-N 401.492 1.255 30 10 HDEE CN(C(=O)Cn1c(Br)nc2c1c(O)nc(=O)n2C)C1(C#N)CCCCC1 1653024032 BPRLHCNEFOBTGR-UHFFFAOYSA-N 423.271 1.283 30 10 HDEE C=CCCn1cc(CN2C[C@@H](C(=O)OC)C3(C2)CN(C(=O)OC(C)(C)C)C3)nn1 1660083230 VCEIWHPOBYNRJG-INIZCTEOSA-N 405.499 1.696 30 10 HDEE C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660446427 AWUVCYKQHXEVRT-PVXIVEMSSA-N 401.410 1.903 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1662240446 FPFXZJMQSRJFNR-UHFFFAOYSA-N 405.524 1.325 30 10 HDEE C#CCOCCNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1673735145 IPXJEXVUEJUBOL-UHFFFAOYSA-N 406.487 1.123 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCc2ccc(OCCN(C)C)cc2)CC1 1678821126 BEFTUKIMFLNSRN-UHFFFAOYSA-N 402.495 1.658 30 10 HDEE C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1680435184 HEWOEFSTGWTYEE-UHFFFAOYSA-N 405.879 1.439 30 10 HDEE C#C[C@H](NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1683680309 BPFUBDCUYFSPDE-GJZGRUSLSA-N 414.325 1.799 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1689827426 DVPCZLTZXRKBTH-GJZGRUSLSA-N 415.523 1.237 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1689856819 WEIKYJZBGCZWSK-INIZCTEOSA-N 404.474 1.634 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1689892475 GNMFAOUTTNWEQH-QGZVFWFLSA-N 421.523 1.644 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Nc2cccnn2)CC1 1689907979 RWAKGJGLAYMKNQ-UHFFFAOYSA-N 408.510 1.798 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689990090 LMGPQFNMRGZDGA-MSOLQXFVSA-N 406.552 1.989 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC(C)(C)N1CCOCC1 1690105194 WTVPIWDJWLEGGZ-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCC=C)CC1 1690131408 YSGCAHLYOMDLQJ-UHFFFAOYSA-N 406.534 1.511 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H]2CCCCO2)CC1 1690146216 IMGVZKRCKOCAKK-OALUTQOASA-N 415.538 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN(C)CCCC)CC1 1690154501 PQITWCHSESIULX-LJQANCHMSA-N 416.570 1.827 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1690313260 OSHABDREEJOTOG-UHFFFAOYSA-N 401.515 1.867 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1692851206 BZIUQMVPOPBLQP-DNVCBOLYSA-N 417.539 1.685 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)C1=O 1696883054 FLYBZLDFMHXYAD-NRFANRHFSA-N 404.478 1.628 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705514226 OATIJRGBFWVMGC-UHFFFAOYSA-N 416.551 1.909 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705565271 GECYWLKBLFFUHM-AWEZNQCLSA-N 402.467 1.454 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569842 HKYUCZZIGSUJKZ-QZTJIDSGSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1705598149 CHCCEZRVAOMJST-GOSISDBHSA-N 407.522 1.806 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705664793 BHEGRLIWZAMZTH-RBSFLKMASA-N 400.570 1.754 30 10 HDEE C=CCCOCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705832978 PUYNKRMKJJNELH-YLJYHZDGSA-N 405.499 1.640 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1705924281 BROQLBJHZDWSLN-CEXWTWQISA-N 403.527 1.822 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1706077237 HGHBOBQBUXLTJH-SUMWQHHRSA-N 409.537 1.076 30 10 HDEE Cc1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1707855604 PVDUFKOGVMHCPF-ZCXUNETKSA-N 416.482 1.235 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1712409754 OHXGCQDOVRRNEG-FBMGVBCBSA-N 400.439 1.456 30 10 HDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1712456418 DMPKORCQWWTRHT-UHFFFAOYSA-N 415.494 1.457 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1712611668 JTYQJORLNZYAAK-SFHVURJKSA-N 413.478 1.869 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccnc1C 1712648561 XDOPVJVISRZXRZ-JZXOWHBKSA-N 413.482 1.072 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCSC2)CCO1 1712883080 KIQZEWOHWQSYCZ-YJBOKZPZSA-N 416.463 1.450 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1712887275 ALCASWDFRPJXHM-DLBZAZTESA-N 407.540 1.737 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cc(F)ccc1N1CCOCC1 1722382101 DZHJSBBBRLIWDG-GOSISDBHSA-N 423.492 1.879 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(OC)C1CC1 1722391134 XVKSKUKMAQURCN-KXBFYZLASA-N 407.540 1.166 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1722403253 XKBJIOPJGABAFP-AWEZNQCLSA-N 423.514 1.738 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(CC)(CC)SC)CC1 1722436331 CZSVCKDZMZPJHN-INIZCTEOSA-N 404.584 1.906 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCCC2)CC1 1722437905 LJYGJDQMNSICDU-UHFFFAOYSA-N 424.553 1.227 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N(C)CC(=O)N1CCOCC1 1722626065 HQMXALZOBKQCJJ-UHFFFAOYSA-N 417.485 1.972 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C(C)C)C1 1722708708 BXMOWUPCWGCYII-QGZVFWFLSA-N 418.542 1.458 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)F)C1 1722720767 GKALEASYUHORDG-HNNXBMFYSA-N 406.437 1.427 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnn1 1722868714 DJIBDMFLTSUQKJ-AWEZNQCLSA-N 413.511 1.547 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cnnn1C 1730820381 UOAMWDQZCOIQJI-HNNXBMFYSA-N 410.482 1.687 30 10 HDEE C#CCN1CCC(C(=O)NC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)CC1 1739106815 KIPDIKOTVQVCOS-FGSPNWDHSA-N 401.551 1.402 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCCn2cnnn2)c1 1740561750 IGQMESYQHZZBIB-UHFFFAOYSA-N 407.482 1.535 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(Cl)nc1)[C@H]1CCS(=O)(=O)C1 1740628931 WOEIGIUTGJZRCF-HNNXBMFYSA-N 423.926 1.538 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cnn(C)c1C 1740757630 QLXJLWMGHRFJOT-SUMDDJOVSA-N 413.526 1.889 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NCCC)CC1 1740820456 FBUNZLONZVHIAV-UHFFFAOYSA-N 421.509 1.994 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740881010 UILMOVRWDKGEQR-OAHLLOKOSA-N 413.544 1.022 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1740899009 CTMFDPJZQSSHPN-GOSISDBHSA-N 403.552 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1740955169 XSWUBJHPDCFEQA-GOSISDBHSA-N 410.478 1.361 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1740962255 XFERSQFGZCAGFG-HUUCEWRRSA-N 417.583 1.855 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(c2ccccn2)CC1 1740991663 AZMDUMUYJFVAAA-UHFFFAOYSA-N 418.567 1.799 30 10 HDEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1741520791 XJYWTGAEMVHNKF-KRWDZBQOSA-N 407.478 1.010 30 10 HDEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1746565679 DTTUYSOICZRWKE-BZUAXINKSA-N 419.530 1.986 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1747443456 FQPJJMGGDNILCD-GOSISDBHSA-N 403.512 1.409 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@H]1CCOC1 1748638198 KRGQYFLFOMITCQ-DLBZAZTESA-N 412.494 1.827 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1748790657 KPBQNLZUBCNOTE-CYBMUJFWSA-N 405.455 1.027 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1cc(C)oc1C 1748874961 GFTAKZZMUULROQ-JOCHJYFZSA-N 411.506 1.997 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1748930019 VWVWCLXLRUYODA-HNNXBMFYSA-N 405.499 1.571 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCn3cc(C)nc32)CC1 1749015119 SJBUWROVWFJEOK-SFHVURJKSA-N 409.538 1.889 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1749043576 JCFZQZVDNNUWRG-ZDUSSCGKSA-N 417.457 1.534 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(N)=O)cc1 1749064617 DEEXCCMMURVRMF-HRAATJIYSA-N 407.478 1.760 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@@H]1C 1749213938 SDUUJRRFTPNECO-SOUVJXGZSA-N 417.601 1.811 30 10 HDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749403123 WYBFZZBFRYSOKM-GOSISDBHSA-N 404.559 1.739 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749459642 PULVNBHGVBJEPY-NRFANRHFSA-N 412.494 1.888 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749640814 HNGHCRQWHNRATO-HXUWFJFHSA-N 413.503 1.930 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(C)C)C1 1749676524 UFJNRGUEZXZVBO-GOSISDBHSA-N 423.521 1.680 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)C1CCCCC1 1749731788 KKXGCJZKKCKOHM-INIZCTEOSA-N 409.556 1.989 30 10 HDEE C=CCSCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749763582 CPEWTDCVNUEWPU-BEFAXECRSA-N 409.556 1.550 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c1 1750528359 CHDPKRYYMILEAD-HRAATJIYSA-N 412.469 1.947 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCOCC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1759986659 QVEZRYOIFKBPTR-RTJUMIHMSA-N 400.519 1.679 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H](C)C(=O)NC 1760157522 RZYDVHARSOHCEW-AWEZNQCLSA-N 402.524 1.501 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC 1760312740 CYUOTBNSCLUOQS-NVXWUHKLSA-N 400.483 1.989 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1760427676 GPFBYMZVFCAESM-CABCVRRESA-N 418.585 1.406 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1760437841 PGGDYWQTGAEDEP-QGZVFWFLSA-N 422.489 1.928 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CC2(S(C)(=O)=O)CC2)cs1 1762258713 GTRVTMJHLBVNHQ-GFCCVEGCSA-N 408.553 1.949 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCCNC(=O)OC(C)(C)C 1766429858 VXIOOQSEIAYUPT-HNNXBMFYSA-N 408.503 1.848 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOCCS(C)(=O)=O 1767493180 HTLPKKJLENBOBX-LJQANCHMSA-N 420.539 1.475 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CCO1 1767712155 FWDYYFUXXIDSAB-QZTJIDSGSA-N 408.462 1.461 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)c(O)c1 1771222868 NGPKYKOEDATYHZ-ZBFHGGJFSA-N 417.466 1.493 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)[C@H]1CCN(C)C1=O 1849206320 WAYJFZJVBRPHEV-IRXDYDNUSA-N 409.483 1.224 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@H](c1cc(Br)cs1)N1CCCC1 1850814407 OJQNHGQTLIJRCR-AWEZNQCLSA-N 419.366 1.812 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCO[C@H](C#N)C2)cc1 1851054351 ABEKQTGHPCKOSH-SJLPKXTDSA-N 405.520 1.888 30 10 HDEE CN1C(=O)C[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)[C@H]1c1cccc(F)c1 1851092184 UOQALKOTRHLWTA-WMLDXEAASA-N 401.419 1.610 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)CC2 1851202931 AHZKHNDKFGHDRA-GFCCVEGCSA-N 412.309 1.880 30 10 HDEE Cn1c(=O)ccn(C2CCN(CC(C)(C)C(=O)Nc3ccc(C#N)cc3)CC2)c1=O 1851214713 IQQCDEYUHGZDCC-UHFFFAOYSA-N 409.490 1.720 30 10 HDEE O=C1C=C(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CCC1 1851242327 LNWAFRAKQNIOHH-HXUWFJFHSA-N 415.515 1.563 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1 1852357960 VVRGRCNVUHPZDR-UHFFFAOYSA-N 410.478 1.781 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1852983416 HCTCRASOMXMQFI-KRWDZBQOSA-N 406.508 1.385 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccccc1F 1853240703 FYBBCQYZSFDBOG-AWEZNQCLSA-N 400.501 1.458 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCCOC3)C3(CCCC3)C2=O)CC1=O 1854008092 KHQAKOCIVUTOPR-ZWKOTPCHSA-N 403.523 1.431 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(F)cc3)C(=O)C2)cc1 1854024357 ZURQZBPBJZEUDH-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[C@H](S(C)(=O)=O)C3)C2=O)cc1C#N 1854106705 BMRVKQNSCFBYOZ-ZWKOTPCHSA-N 403.504 1.507 30 10 HDEE CCOc1ccc2nc(N3CCN([C@@H]4CCN(C(=O)CC#N)C4=O)CC3)sc2c1 1854586861 FPXVSFQSADBEPF-MRXNPFEDSA-N 413.503 1.858 30 10 HDEE C#CC[C@H](F)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1854615975 YHUWTZGTUBTNKS-YPMHNXCESA-N 411.329 1.794 30 10 HDEE C[C@@H]1CN(CCCC#N)c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C1=O 1856037598 FCZYXXTURFXTOW-CQSZACIVSA-N 404.492 1.197 30 10 HDEE Cc1c(C(=O)N2CCN(CCC#N)[C@H](C)C2=O)cnc(N(C)C)c1Br 1856197144 KPIMGUZPQVOSKO-GFCCVEGCSA-N 408.300 1.805 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)CN3C(=O)COc4ccccc43)C1=O)CC2 1856533957 UDYHPINMFUWCKH-WBVHZDCISA-N 408.458 1.165 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CC2=O)C1 1857212569 QEHXVTIOEKQNLP-MRXNPFEDSA-N 404.511 1.854 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1857387202 FYNVXYWQRDDWOB-MJGOQNOKSA-N 400.523 1.921 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@@H]4CCC[C@H]43)ccc21 1857461308 PRYGGCRQWJINBQ-IAGOWNOFSA-N 403.460 1.348 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@@H](C)CC)cn1CCN(C)C 1870530966 AXQIXMJOGNBMRA-SFHVURJKSA-N 404.555 1.877 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)C[C@@H](C)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871632455 NATIJEIQXVRASC-ZIAGYGMSSA-N 421.505 1.765 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)CC1=O 1874274543 RXMUXWBDFONWNP-UWPAOYMWSA-N 416.507 1.558 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 1885924609 VUDQBUXLCYLGJD-KGLIPLIRSA-N 401.504 1.848 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cn(CC)nc3C)CC2)CC1 1889275510 XGVKHYVFUKMEND-UHFFFAOYSA-N 401.555 1.474 30 10 HDEE CCc1ocnc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889313109 DPUWRJQDCZFQOL-UHFFFAOYSA-N 402.539 1.888 30 10 HDEE COc1ccnc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)c1 1889328649 KXGAUZQUFVMTNW-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)CCOCC1 2054403571 ASDKTGOVUXTFNR-SJORKVTESA-N 407.492 1.684 30 10 HDEE N#Cc1cncc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 2118163648 RWPMSHFAFVLGHQ-QGZVFWFLSA-N 416.459 1.269 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 2118164473 YVNDTWXOELNKIJ-STQMWFEESA-N 401.510 1.922 30 10 HDEE C#CC[C@@H](CNC(=O)OC(C)(C)C)Oc1nc(Cl)nc2c1S(=O)(=O)CC2 2128056658 HLYHPHZAIUXSKN-JTQLQIEISA-N 401.872 1.755 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)O 2151776435 QKCORVGIRGGHCH-CYBMUJFWSA-N 401.416 1.344 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](NS(=O)(=O)c1ccc(C#N)cc1N)C(F)(F)F 2162585280 URYYORPRXIVCAN-GFCCVEGCSA-N 408.402 1.874 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)O 2166303656 HLOFHKHBXFFSCR-ZDUSSCGKSA-N 403.501 1.748 30 10 HDEE CCn1cc(C(=O)NCCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243388189 HRBHQSPDVYGEPC-UHFFFAOYSA-N 408.308 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2243686010 GASZBUWLYJDHFB-GJZGRUSLSA-N 406.288 1.322 30 10 HDEE CN(C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247918488 OXGSFUOTCAIQSR-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE C=CC1CC(N(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258175120 JKUHHMCPIMWDDX-PREGVCBESA-N 410.492 1.681 30 10 HDEE C=CC[C@]1(CN)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2259552624 VSTKCTUZLKQIRF-HXUWFJFHSA-N 405.520 1.620 30 10 HDEE C#CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC(C)(C)C1 2259897219 GJBSOCDGCKMRBQ-HNNXBMFYSA-N 408.476 1.477 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=c3nc(CN)[nH]s3)sc2Cl)OC1(C)C 2267134710 SYVHSTXBFNQVAW-UHFFFAOYSA-N 400.722 1.685 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@@H]4N)cc2Cl)OC1(C)C 2267358589 GWBRDBPXEZNZJO-UBHAPETDSA-N 404.750 1.421 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C(F)(F)C1 2279114280 BXZCEGHKMTVCQW-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE CN(CCN(C)S(C)(=O)=O)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282020067 UMPGRRFITZDYBF-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE CO[C@H]1C[C@@H](CN)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282055330 CMDCKJBYTISJOH-QWRGUYRKSA-N 400.737 1.889 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(C)CCCCN3)c2)OC1(C)C 2282340724 JCZBTIAREABXAB-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE C[C@@H](C(N)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282413515 GAWIXOFJDCRQED-JTQLQIEISA-N 402.709 1.134 30 10 HDEE CC[C@](C)(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282498219 AJTVKAKVFWFQSX-INIZCTEOSA-N 402.347 1.121 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282608984 BZFMBAZZXAMAEV-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](C)(O)[C@@H](O)C3)sc2Cl)OC1(C)C 2282615423 PBXNLYLCARZCCH-YVEFUNNKSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CO[C@H](CN)C3)c2Cl)OC1(C)C 2282638918 UAABEQBBTDXSBQ-QWRGUYRKSA-N 400.737 1.794 30 10 HDEE CO[C@H]1CN[C@@H](CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282640247 KZUSRTANBHEQOP-GHMZBOCLSA-N 400.737 1.807 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](CCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282843916 USJONUPCXNSPSJ-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE CS[C@@H]1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282858563 YWLDUQSSSLTRTP-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE CN(CC(F)(F)C(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2295351964 VDRRGODTFNXUSB-UHFFFAOYSA-N 411.257 1.388 30 10 HDEE O=c1c(Br)c(NN=Cc2cccs2)cnn1[C@H]1CCS(=O)(=O)C1 2322659607 AZFVWNZRERUICW-VIFPVBQESA-N 417.310 1.873 30 10 HDEE COCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)ccc1F 2331566115 HKVOOVMFJOITLK-UHFFFAOYSA-N 402.249 1.786 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365202521 FJDAULWPVBSYCS-SOUVJXGZSA-N 400.541 1.433 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365207512 OZIJOJXICWFJTH-BZUAXINKSA-N 402.557 1.409 30 10 HDEE CC(C)N1CC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2367686868 LENXWKRJPPJYOS-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C#CC2(S(C)(=O)=O)CCC2)(OCC(=O)O)C1 2367787117 KLNYYMKXLGYDRY-KRWDZBQOSA-N 401.481 1.438 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 2367802214 ZHZFGAORXHTCFA-YJBOKZPZSA-N 400.541 1.477 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@@H]1CNC(=O)OC(C)(C)C 2367830024 FRBNBHBGVGGQGE-CLCXKQKWSA-N 400.541 1.211 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370297683 QVROJJDOJOMZES-UONOGXRCSA-N 400.412 1.781 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](C)(C(=O)O)C1CCS(=O)(=O)CC1 2377811907 TVWXIMOUKOLJMZ-GOSISDBHSA-N 404.529 1.715 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NCc3ccc(OC)cc3)cc2C1=O 3526003 UADMAPUEEIQZEE-UHFFFAOYSA-N 408.410 1.950 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(F)cc1 16893825 NTEINEDNDRKLRN-CQSZACIVSA-N 407.427 1.201 30 10 HDEE CCOc1ccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 20528004 FGLBMOFHFDGEEQ-UFFVCSGVSA-N 415.479 1.838 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)NC3CCCCC3)n2N)cn1 20921638 RDZIHJXFZCBVNI-UFWORHAWSA-N 405.532 1.756 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 50071655 UWLIOSRPCIWIPR-FQEVSTJZSA-N 418.545 1.981 30 10 HDEE CC1(C)OB(c2ccc(Cl)cc2NS(=O)(=O)CS(C)(=O)=O)OC1(C)C 405047146 SQMKIUWPMGIQGU-UHFFFAOYSA-N 409.722 1.383 30 10 HDEE C[C@H](C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)n1cnc(C#N)n1 409745609 NRTRJXKRGZZGLU-CYBMUJFWSA-N 422.536 1.306 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409942647 OHRSBBSPPHBVDN-BXUZGUMPSA-N 417.267 1.703 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)cc(F)cc2Cl)CC1 435427900 PBHYVVXTIZLPLR-UHFFFAOYSA-N 410.298 1.741 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 438899376 CMSHVIDTTANIRR-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 440847622 TZELDWWAOWKAAA-UZLBHIALSA-N 424.519 1.628 30 10 HDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCSC[C@H]3CCO)n2)c1 442113361 RKBNCTYLLWPHIO-CQSZACIVSA-N 402.501 1.947 30 10 HDEE N#Cc1nc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)ccc1C(F)(F)F 443509530 LEMMZFMWHLDRGT-UHFFFAOYSA-N 418.441 2.357 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)n(C)n1 462091514 ZPTZBFAFJWWGLC-OAHLLOKOSA-N 405.422 1.108 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCN(c2nccn(C)c2=O)CC1 467175668 KFPYWRPJSHMNQN-INIZCTEOSA-N 401.536 1.567 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3C[C@@H]3c3ccc4c(c3)OCCO4)CC2)c1C#N 471682543 JOHRQJFLDQXFFP-IAGOWNOFSA-N 407.474 1.824 30 10 HDEE COc1cnccc1N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 478469707 BYCYYWHJAZPEPC-UHFFFAOYSA-N 419.489 1.903 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 483619402 JLCQXCDSFLMPMX-CQSZACIVSA-N 422.507 1.473 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NCc1cn(CCC#N)nc1-c1ccncc1 500538680 WJOWYGXHGTZPHP-WMZOPIPTSA-N 402.524 1.666 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)C1 501352241 SRYAYQQDVJADMR-AWEZNQCLSA-N 412.475 1.540 30 10 HDEE COc1cccc([C@@H]2[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC(=O)N2C2CC2)c1 503628259 MABSHRVRVVTBPB-GHTZIAJQSA-N 410.474 1.332 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 503987311 NQKPXCGWIWWLKO-HKUYNNGSSA-N 419.489 1.812 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 507534042 OICRXMIBWDOHFD-UHFFFAOYSA-N 418.519 1.994 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4ccc(Cl)c(C#N)n4)CC3)C2=O)n(C)n1 507912462 PEUSHEYXPAWUSP-QGZVFWFLSA-N 413.913 1.966 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCO[C@]2(CCCOC2)C1 510627478 CVGMVGNVQYFBQI-OAQYLSRUSA-N 404.511 1.833 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)c(OC)c2)C1 517269026 VDTCDPHZSBBVND-QGZVFWFLSA-N 424.523 1.149 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 518045471 PTFFBBCCZRVBHU-YOEHRIQHSA-N 409.442 1.766 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CN2CCC1CC2 522041110 ONAJXYWCQHIWIS-HXUWFJFHSA-N 416.547 1.512 30 10 HDEE N#Cc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 523678804 KLFRNWWMVRTEJY-UHFFFAOYSA-N 401.444 1.466 30 10 HDEE CCCCS(=O)(=O)NCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 536360954 RSQBRIFTKBYHHF-OAHLLOKOSA-N 410.521 1.118 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 543051517 FBJZHGOMMOKJRS-IBGZPJMESA-N 424.505 1.641 30 10 HDEE COc1ccc(C(=O)NCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544885612 FYUNGSKSCZUDCB-UHFFFAOYSA-N 408.462 1.223 30 10 HDEE CN(C)C(=O)COc1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546210471 QYZYKNXZODOAEL-UHFFFAOYSA-N 408.462 1.774 30 10 HDEE N#Cc1ncn(CC(=O)N[C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)n1 553607027 OKCLMUIWONPEES-APWZRJJASA-N 407.405 1.856 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)C2CCN(CC(F)(F)F)CC2)CC1 557335861 LSKOIHSADRDDBI-WMZOPIPTSA-N 417.520 1.931 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3[C@H]4CC[C@H]3CC(c3ccnn3C)C4)CC2)o1 583216286 VGRIBNMJXRAFRE-ROUUACIJSA-N 423.521 1.647 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 587866629 HBMUIAZOBGTTCL-PZPWOCDFSA-N 413.453 1.360 30 10 HDEE CN(C)Cc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1F 589421357 OJTJDUDGHXIPBF-UHFFFAOYSA-N 404.467 1.354 30 10 HDEE CCC[C@@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 608816361 MOXDYAGWZSASKC-ZDUSSCGKSA-N 416.297 1.611 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)CNC(=O)c1cc2c(s1)CCCC2 609441924 AZCRRERHPFYCMO-UHFFFAOYSA-N 404.536 1.431 30 10 HDEE CCOC1(C#N)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 703999791 OAWHZCUUEMBZDB-UHFFFAOYSA-N 405.476 1.397 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C)c1 727415656 XLCZZRSSUCSBCP-UHFFFAOYSA-N 423.494 1.456 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3cccc(Cl)c3)no2)CC1 729281795 PAVFOOXIQMOMGQ-UHFFFAOYSA-N 400.866 1.892 30 10 HDEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C#N 730137099 CYPQOIAPZOIZFB-KRWDZBQOSA-N 417.535 1.594 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])o2)c1 731876971 MNECCLBUDJRQAM-INIZCTEOSA-N 424.413 1.871 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 733048306 RRWQKYOGJOTLAL-UHFFFAOYSA-N 400.483 1.794 30 10 HDEE C#CCCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 733246042 BJOOVZKJPSYJQB-UHFFFAOYSA-N 405.520 1.056 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@H](C)NS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 740213596 JNHBJBXDSLIPNA-NHYWBVRUSA-N 408.457 1.744 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1NC(=O)OC(C)(C)C 741085915 HLVMSONFXXXXLZ-OVZRNVPMSA-N 421.498 1.458 30 10 HDEE COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 746036799 GBANZTJWYMOPFL-CYBMUJFWSA-N 418.519 1.969 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 747933644 RMDZWTOSNKZBDI-NWDGAFQWSA-N 421.479 1.253 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)no2)c1 756884353 VNOBDDBBOKCFSH-XJKSGUPXSA-N 400.439 1.717 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758752902 NREIVCRUARESMR-VNQPRFMTSA-N 404.467 1.787 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 763789211 XONLNKIYKQZKCT-MSOLQXFVSA-N 418.471 1.417 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(COC)o2)c1=O 765143952 CRUMARWPDCMIQQ-UHFFFAOYSA-N 402.472 1.168 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccccc1CN1CCC[C@@H]1CO 767312558 SLAWBFAADBHDHX-GOSISDBHSA-N 400.504 1.774 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CCN1C1CC1 768069369 QIZCYJUBDUHPKC-KRWDZBQOSA-N 404.474 1.498 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2c3c(nn2-c2ccccc2)CCC3)CCN1C1CC1 768069372 QIZCYJUBDUHPKC-QGZVFWFLSA-N 404.474 1.498 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 768298388 ZJVPRTDXOFDQFP-APOCOGJHSA-N 418.494 1.905 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Cc2ccccc2CC#N)CC1 776976989 COIAUBNCOUKUHV-UHFFFAOYSA-N 412.515 1.552 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(CCN3CCC(C(N)=O)CC3)cc2)cc1 780922932 VPKPGEDGUUCFJS-OAQYLSRUSA-N 406.486 1.970 30 10 HDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C#N)n(-c2ccccc2)c1=O 782621538 VPXOURUAYHENFZ-UHFFFAOYSA-N 412.272 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n[nH]2)C1 787349343 YFKXFMZAHMFFPG-GOEBONIOSA-N 414.510 1.946 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@@]3(CNC(=O)C3)C2)cc1OC 788838906 DHZGTILDVWOOGF-OAQYLSRUSA-N 403.479 1.963 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 796989128 JXBUSGYJMLEPOL-HNNXBMFYSA-N 409.439 1.117 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C)C(C)(C)C 805146458 GYRLLQDJTMHUIO-CQSZACIVSA-N 414.325 1.966 30 10 HDEE COc1ccccc1O[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 806780761 GBVYEQZZKWJZCL-DNTCVELPSA-N 414.462 1.774 30 10 HDEE C#CCCS(=O)(=O)N[C@@H](Cc1c[nH]c2cccc(Br)c12)C(=O)OC 808303651 ITNDCGVVMMKOJY-AWEZNQCLSA-N 413.293 1.957 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(C)c2C(=O)OCC)c1 811065527 BBLPIBDTTYSXDA-UHFFFAOYSA-N 406.416 1.428 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNS(=O)(=O)c2ccc(C)c(C)c2)n1 811471743 JDYGMUKKNQCADP-UHFFFAOYSA-N 418.519 1.087 30 10 HDEE Cn1ccnc1[C@](O)(CC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 818653099 IMJMUUJBZJODLW-QGZVFWFLSA-N 408.384 1.176 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)N(CC)C[C@@H](C)C#N)c2C)nn1 918932579 NKHJKDNEKUYZTH-ZDUSSCGKSA-N 400.439 1.534 30 10 HDEE CC(C)(C)NS(=O)(=O)CCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1124979431 NJYWIGQQHBXZHU-AWEZNQCLSA-N 418.560 1.798 30 10 HDEE CCOC(=O)c1c(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c(C#N)cn1CC 1130010318 DFWGLPGHGITJLJ-UHFFFAOYSA-N 422.463 1.960 30 10 HDEE C=CC1(CC(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)CN(C(=O)OC(C)(C)C)C1 1137896155 UGMZBALGSHQNNA-CQSZACIVSA-N 401.529 1.340 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 1138748104 RLCFPBDHLRXXTC-RBSFLKMASA-N 416.544 1.408 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489322 ASSOOZIUFUOMCK-UHFFFAOYSA-N 404.430 1.249 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1160823087 MVHOOBIVUNJAFF-UHFFFAOYSA-N 419.415 1.975 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@H](C(=O)OC)C1 1162059259 FNCWNVOEGMUXDC-KBPBESRZSA-N 403.907 1.586 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nn(C)cc2C(F)F)s1 1171868549 IEDKPHTYKSZOFK-UHFFFAOYSA-N 404.464 1.742 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 1211848505 CUPLMBRMUZNLKE-KGLIPLIRSA-N 419.322 1.661 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCCN(c2ccccc2Cl)CC1 1212213609 GGRNXRMXZRTWCT-UHFFFAOYSA-N 400.932 1.959 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3cc(=O)n4ccccc4n3)C2=O)cc1 1226111338 HYYYERKYTGURLX-SFHVURJKSA-N 416.441 1.561 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC(CS(N)(=O)=O)CC3)CC2)nc1 1230422363 GAWNQCYMHDVIID-UHFFFAOYSA-N 421.523 1.353 30 10 HDEE C#C[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)[C@H]1CCCO1 1234627814 WQBLFGFGYYLRDA-IAGOWNOFSA-N 407.511 1.979 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)nn1 1276646041 BVANMKIOCFGHSP-VQIMIIECSA-N 401.467 1.810 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286391549 DWPOEOLAGYGPOE-CVEARBPZSA-N 419.507 1.062 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CCOCC1 1288974665 ONQZBPOHZZCYDM-UHFFFAOYSA-N 406.504 1.318 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 1300392930 OSHGQYGKXKTTIZ-SFHVURJKSA-N 405.451 1.753 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300482424 FKLVKVAFZVAWEM-XRHLQHRESA-N 420.560 1.140 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300801254 LEUWUEAJEBTSJJ-DNVCBOLYSA-N 415.523 1.009 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(N)=O)C1 1301252259 MLBKUHBVBVXIAK-AWEZNQCLSA-N 416.482 1.300 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@]2(O)CCSC2)C1 1301557980 YLIBURLLHGHVCX-XLIONFOSSA-N 401.536 1.913 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1301738454 VLVLPIJDQUHZFR-AVRDEDQJSA-N 421.538 1.339 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1302023530 JJHSAXZUUQQSNY-BPQIPLTHSA-N 407.515 1.672 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)c2cccc(CC(=O)OCC)c2)cc1 1305292697 QUKYOIFEDZHBTG-UHFFFAOYSA-N 414.483 1.980 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C2)C1 1308014081 CRNGXWYVODYAIK-VLIAUNLRSA-N 402.426 1.855 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](NC3CCOCC3)C2)C1 1312468815 IFOWNNYBDCHSSH-RYQLBKOJSA-N 421.542 1.688 30 10 HDEE N#Cc1c(CCCNC(=O)NCC[C@]2(O)CCCOC2)nn(-c2ccccc2)c1N 1312949563 WKBOERUGEWZFAC-OAQYLSRUSA-N 412.494 1.490 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CC1 1314645763 PMPKLZQPSFPUIK-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccs2)CCO1 1316539077 BPDWORJZLFSDOF-KBPBESRZSA-N 402.480 1.002 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C(=O)c3ccccc3)C2)n1 1339468636 ZGOPFCQPSLKBMW-HXUWFJFHSA-N 423.517 1.979 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1342653723 OHQIKIJSQZPXHN-IBGZPJMESA-N 414.443 1.100 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)nn1 1351696972 DJJISOUHMBAIKK-UHFFFAOYSA-N 409.537 1.679 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(S(=O)(=O)C2CC2)cc1 1351735082 FITSBUAZCDOMQF-UHFFFAOYSA-N 401.448 1.306 30 10 HDEE N#CCc1ccsc1C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1352992115 DAWCZECELAYZDT-MRXNPFEDSA-N 412.519 1.840 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(Br)c2nccn2c1 1357282063 BCULCAILPFYEKP-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)COCc2ccnc(O)c2)c1 1357484771 VOWMMFXJNSKPSE-XLNRJJMWSA-N 418.475 1.755 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358961333 WNEHAWYQELRVQQ-JKSUJKDBSA-N 417.560 1.862 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCOC1 1359021082 AYCLTRPFFZCMLI-FQEVSTJZSA-N 420.897 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)C 1359090301 YLLZHLGDXNVQQF-WBVHZDCISA-N 406.531 1.358 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359097569 QIZITRFLMIWQGB-VYDXJSESSA-N 422.555 1.529 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359209846 BGSOHCFMFGYCDT-HNNXBMFYSA-N 417.535 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H]1CCOC1 1359293132 IEURLVJPIITZEO-GFCCVEGCSA-N 409.288 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCN(C)C2)C1 1359311908 KTIURMJNYMRZOD-UTKZUKDTSA-N 420.558 1.044 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCNC(=O)C1 1359328566 IPCABUIJQUTLDJ-UHFFFAOYSA-N 415.475 1.228 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1359337646 XLNPSFNKJAMUIB-SWLSCSKDSA-N 402.521 1.249 30 10 HDEE C=CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359346207 FMVUXEZNTARCJQ-FXAWDEMLSA-N 423.583 1.370 30 10 HDEE Cn1nc2c(c1C(=O)NC1(c3cccc(C#N)c3)CCOCC1)CS(=O)(=O)CC2 1437802403 DJPQEMROHPVPKS-UHFFFAOYSA-N 414.487 1.198 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(C)cc(Br)c3C2)C1=O 1438363635 HKRTYGJPCFJCLH-UHFFFAOYSA-N 420.263 1.619 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)Cc1ccc(Br)cc1C#N)C2 1448821466 GAWGRGDMEWYRCP-KBXCAEBGSA-N 407.264 1.901 30 10 HDEE CN(CC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1)S(C)(=O)=O 1455332837 KFBXIHFIILYASR-UHFFFAOYSA-N 418.324 1.969 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456206306 DMIXQYDVUZIVQN-SGTLLEGYSA-N 422.869 1.984 30 10 HDEE COC[C@@](C)(CC(=O)OC)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1465491093 HRGVIIMXSMBEEN-OAQYLSRUSA-N 405.300 1.992 30 10 HDEE CSc1ccc(CNC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)cc1C#N 1471338368 XNVWFORXNRDDJY-LJQANCHMSA-N 401.492 1.800 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@](C)(C(=O)OCC)c1ccccc1)c1cc[nH]n1 1471933637 QCWLVCLUAIUFQZ-FQEVSTJZSA-N 416.434 1.288 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1475487256 JKXLDQKLRHASRQ-HNNXBMFYSA-N 402.538 1.683 30 10 HDEE COCCc1ccc(OC[C@H](O)CNC(=O)Nc2cnc(OC)c(C#N)c2)cc1 1477077866 GDSVEYOTMHWTNI-QGZVFWFLSA-N 400.435 1.712 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c1 1478816787 ZIXVUSGFSPXUDW-GOSISDBHSA-N 403.438 1.875 30 10 HDEE N#CCCN1CCN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)CC1 1479171940 CVCMQOGCHVLICA-INIZCTEOSA-N 420.311 1.943 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1493804332 DWOQEJGZHPUIPR-IKGGRYGDSA-N 408.572 1.650 30 10 HDEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C1CC1 1504001766 DVVKTUIDQGABGE-IBGZPJMESA-N 424.505 1.855 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1505075093 WXCQPXWZWAVPIA-AFMUBRCDSA-N 416.526 1.610 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC[C@@H]1COCCO1 1507654254 CAYRJMMNISZNNL-MRXNPFEDSA-N 413.503 1.148 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H](C)N1CCCCC1 1507690996 ZGKWKPHCSJGLOG-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccc3)n2CC(=O)N(C)C)n1 1507717569 WGXQUCALQYPPSM-UHFFFAOYSA-N 421.505 1.516 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1507844398 JITYZFNIHMSOEU-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1507967626 ITELDNDGHKCOKN-CABCVRRESA-N 407.544 1.593 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1508139504 BFOKZZLOEOWYGQ-HNAYVOBHSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)CC(F)(F)F 1508144727 SQCSIQFYNUTHEF-UHFFFAOYSA-N 403.430 1.863 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1508157543 AFLDTSOITWXBOV-KGLIPLIRSA-N 402.528 1.618 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1508388878 GPKNKSUWVLALTN-CQSZACIVSA-N 418.523 1.613 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509938629 HMLVRRUOOYQISB-LHSJRXKWSA-N 422.493 1.675 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1511142890 VOKLKTDUNUPOFN-UDJKBAMHSA-N 423.477 1.400 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1512518995 ZSJCFIYXQWKRPW-MGTMEOADSA-N 400.483 1.748 30 10 HDEE Cn1nncc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1517426319 AMINKTIWIKPGFR-MRXNPFEDSA-N 414.857 1.416 30 10 HDEE CCN1CCOC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1525956157 IKVNWVHWOHMMDZ-HSDQKXRGSA-N 422.551 1.939 30 10 HDEE C=CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)[C@@H](C)COC 1528488644 DZEFOVJGHWFCOC-HOCLYGCPSA-N 422.503 1.673 30 10 HDEE C=CCN(C(=O)c1cnc(CNC(=O)OC(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1528599772 FZTNSCUYVRVKQO-LBPRGKRZSA-N 415.537 1.983 30 10 HDEE CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O)[C@@H](C)C#N 1530026901 RTLFXZSTJIRBKO-GTNSWQLSSA-N 407.268 1.977 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1530040340 XALCNSGGBBQIDC-CQSZACIVSA-N 405.879 1.345 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)N1C(=O)NC2(CCCC2)C1=O 1531526529 BVDCNWKWGJORMS-CYBMUJFWSA-N 407.434 1.390 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1533649991 PBASXHDUMZGNNV-INIZCTEOSA-N 412.533 1.803 30 10 HDEE C[C@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1cccc(C#N)c1 1537673122 CVIFHAGVNLYOED-AWEZNQCLSA-N 420.512 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1538963377 RIOROIJPWLTAPD-HUUCEWRRSA-N 412.485 1.230 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(F)cn1 1539273623 ZRAIHNLRNMJMRC-UHFFFAOYSA-N 408.462 1.925 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1539343325 JODXEKPUEYETJE-SECBINFHSA-N 414.276 1.336 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cccs2)CC1 1539446342 WXTPIASVDGMOKM-FQEVSTJZSA-N 409.519 1.460 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)CC(F)(F)F)CC1 1539446565 GEFFWOBLCQORIJ-OAHLLOKOSA-N 400.449 1.031 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCC(=O)N2CCOCC2)CC1 1539454006 GGXQYYGTBCTWTK-UHFFFAOYSA-N 414.554 1.015 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1CCCO 1539563994 UKRDCFNJNGHLAZ-XMSQKQJNSA-N 414.554 1.239 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539701769 QLDYZWJGBKJBQP-KRWDZBQOSA-N 411.510 1.916 30 10 HDEE C=C(C)C(C)(C)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1539728390 JUIROAPNOLQMJT-UHFFFAOYSA-N 422.551 1.353 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1539986024 ROCRTZLDQYUSIZ-UHFFFAOYSA-N 408.549 1.884 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1540470743 CHKKBFFDXLWMFW-ZDUSSCGKSA-N 408.867 1.603 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(CO)CC1 1540867483 XRHVBULZWBZEBP-UHFFFAOYSA-N 413.478 1.227 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](c2nnc3n2CCC3)C1 1540871581 OWMSOOWQYKYXLO-INIZCTEOSA-N 412.542 1.701 30 10 HDEE CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1540973597 BOQZTPTWPZIEHE-UHFFFAOYSA-N 420.433 1.107 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1545626801 ZEKXSOIMIUNHGU-UFOSLELVSA-N 412.498 1.687 30 10 HDEE C#CC[C@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1556832804 IXWUFYUYTTYZAP-SJORKVTESA-N 418.494 1.856 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1564635007 AFGCGKPTSFEIRG-CQSZACIVSA-N 417.890 1.629 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1SC 1564690106 NZRFYLOHYURESR-MLHJIOFPSA-N 402.520 1.867 30 10 HDEE CC(C)N(C)C(=O)c1ccc(Cl)c(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1565775617 HASMXWVMRDFCBP-UHFFFAOYSA-N 417.853 1.983 30 10 HDEE C=CCOC[C@@H](NC(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)OC 1568154632 NDUFDCXWUXYTCR-QGZVFWFLSA-N 410.492 1.020 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2nn(C)cc2Cl)CC1 1569590684 LIYVVDKCAIIQMQ-VKSPVCMPSA-N 402.926 1.923 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@H]2CC[C@H]1C2 1585296319 RVHWBUPRNYXMCG-TVSHIAKJSA-N 402.451 1.085 30 10 HDEE Cc1ccc(C(=O)NCc2c(C(F)(F)F)cnn2C)cc1S(=O)(=O)NCC#N 1585691823 CNCQIHDTFPLKJZ-UHFFFAOYSA-N 415.397 1.479 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1585942904 NGURVCNGXBSKJA-GJZGRUSLSA-N 416.544 1.504 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)Nc2nc(C)cc(C)c2C#N)C1=O 1587096653 RIQIXVGQJQVDRZ-NRFANRHFSA-N 407.430 1.984 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C(=O)CCOCC(F)(F)C(F)F)C[C@H]1C(F)(F)F 1587260802 PJYIHMHVDDZPLG-HTQZYQBOSA-N 403.316 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1587632173 JHFOVLXBRQXWOC-AEFFLSMTSA-N 417.535 1.956 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1587641219 YTJGCQLGEWRJDJ-MJBXVCDLSA-N 400.595 1.487 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 1587713719 LTHPIKLQFQEUPF-UHFFFAOYSA-N 414.483 1.650 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588053663 GWTHPRNRRYYJEB-WWNBULGVSA-N 424.567 1.206 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCN(C)CCOC)CC1 1588791291 RFEIODGDFSZVGO-UHFFFAOYSA-N 416.957 1.932 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)[C@H]1CC 1589560185 XSWNWUOYMHBCMF-GGPKGHCWSA-N 410.522 1.960 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593696320 NIPNXZSTSQKSDJ-JKSUJKDBSA-N 416.530 1.916 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2CCS(=O)(=O)CC2)CC1 1594122124 JQSQOKIOUKMWFP-UHFFFAOYSA-N 407.540 1.382 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2cc[nH]n2)CC1 1594246870 BADXPUYTAFBPBR-UHFFFAOYSA-N 406.494 1.819 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C#N)cc(C)n2)C1=O 1595472447 ORLDOLHIFVRVTM-OAQYLSRUSA-N 407.430 1.984 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1595789592 XFJPLIWJRYGGNX-YZVOILCLSA-N 410.540 1.529 30 10 HDEE C#CCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1598458171 XYPHCCFETHHGNT-WUZYXKQASA-N 400.523 1.941 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C 1603493217 RDSVHUZBOCDJJI-XYPHTWIQSA-N 421.519 1.852 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1603666425 YVPGFNGKBNYQAI-SJLPKXTDSA-N 418.469 1.479 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(C(=O)N(C)C)CCCC1 1612575753 HHNXELBEXWGUBT-UHFFFAOYSA-N 409.494 1.770 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ncc(Br)cn3)cc2C1=O 1618434300 IFEZTXAUUZACSD-UHFFFAOYSA-N 401.220 1.951 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H]1O 1620299987 PFRSECVDTCAKGE-APWZRJJASA-N 424.505 1.273 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)CCC1 1620614778 BYBRSNBHBCOZRY-HXUWFJFHSA-N 406.504 1.502 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2nc(C(C)(C)CO)[nH]c2c1 1622980813 VHZVMLUXWXWMNO-AWEZNQCLSA-N 419.489 1.845 30 10 HDEE Cc1ccc(C(=O)NC2CC(NS(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1625844025 QDUDAEOWALJDRB-UHFFFAOYSA-N 408.329 1.104 30 10 HDEE N#C[C@]12CN(C(=O)COc3ccc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1627136553 LGMZQKOBJUYEGH-ZUZCIYMTSA-N 417.256 1.364 30 10 HDEE C#Cc1ccc(CNC(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 1627883655 ZEYIOWLRWHQJOE-UHFFFAOYSA-N 411.527 1.599 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](CC(F)(F)F)C2)cc1 1630095146 VJKWFMHUMDJVJP-CYBMUJFWSA-N 405.398 1.672 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@@H](Cc2ccccc2)C1 1631638310 MPDJFCQGNQBNDZ-LPHOPBHVSA-N 412.515 1.268 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](CCF)C1 1632052182 CYIJKRIDEUOLSS-HOCLYGCPSA-N 411.499 1.871 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F)c1cc[nH]n1 1632876894 NNVXAKCNMHKYND-MRXNPFEDSA-N 423.351 1.985 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCSC1 1633418882 OCHWSIPGSHLYRD-KRWDZBQOSA-N 424.320 1.922 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)c2ccc(Br)s2)CC1 1636479546 CDYBUZMDPBUQMA-NSHDSACASA-N 420.354 1.226 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)c1 1637528217 HWXOYRJCHXOUNN-OAQYLSRUSA-N 418.515 1.883 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)C[C@@]12CCOC2)C(=O)OC 1639559387 ZJISJHSREVMZHL-XQBPLPMBSA-N 402.491 1.386 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1640917445 FLZQIBIRAJAGJS-ZDUSSCGKSA-N 402.310 1.967 30 10 HDEE C=CCCONC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1642533793 RTINQCRVTJIOGQ-UHFFFAOYSA-N 409.464 1.393 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC(=O)c2ccccc2O1 1642866945 NEXYMQBPQMULTP-ZFWWWQNUSA-N 413.455 1.375 30 10 HDEE Cc1ccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1643772374 JZQSWALMLNJHSU-AEFFLSMTSA-N 421.519 1.237 30 10 HDEE NS(=O)(=O)c1cc2c(s1)CCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1643898410 ZGQWAROKQLGRNC-UHFFFAOYSA-N 415.496 1.053 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)C2)nc1 1645085687 VCFGNYSOEYHQLY-MRXNPFEDSA-N 410.478 1.611 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN(Cc1ccccc1)[C@@]1(CO)CCOC1 1654431479 ULZAXFMDCVPHAV-XMMPIXPASA-N 404.466 1.940 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)Cc1ccc(C#N)cc1[N+](=O)[O-] 1654567052 JRWRHSFYVHVUNZ-UHFFFAOYSA-N 403.464 1.682 30 10 HDEE C#CCCCS(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1657046178 FWBSDOMSZICPKX-HNNXBMFYSA-N 414.524 1.652 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1663801905 SEXVLKNSARVCEZ-RTBURBONSA-N 406.504 1.699 30 10 HDEE C#CC1CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1665153754 BMHGKIKZKVXJIP-UHFFFAOYSA-N 421.519 1.983 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCN(C(=O)OC(C)(C)C)CC1 1668536111 FOPXUEGRWOKZKU-RTBURBONSA-N 420.554 1.894 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCc3nnc(S)n3C3CC3)CC2)c(F)c1 1674010290 WROMXXUVUZDYIA-UHFFFAOYSA-N 415.498 1.987 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1679966675 ZEJPOCWCUZMKJR-UHFFFAOYSA-N 401.529 1.035 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1683693730 MCFRDZASPUUMPL-INIZCTEOSA-N 413.569 1.716 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1689851898 XEYTUQZOJKNTRD-ZBFHGGJFSA-N 402.524 1.147 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689975097 JZEOOYIVKWBFIP-HNNXBMFYSA-N 421.498 1.347 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CCCO1 1690006771 ZOUCOJJNSRXXFQ-NRFANRHFSA-N 412.515 1.991 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(COC)CCOCC1 1690052389 IDYUDFMVPFOOQD-UHFFFAOYSA-N 413.522 1.307 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCOC1 1690076827 BXVPGARHBFRXIM-DLBZAZTESA-N 410.540 1.083 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)CC)CC1 1690145889 AJXZBTQMRJCJIX-UTKZUKDTSA-N 403.527 1.299 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCC(=O)N2CCOCC2)CC1 1690364648 VCEMHJMJAXAUGY-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690484918 HCPBKMZDPKFZMV-SOUVJXGZSA-N 418.585 1.404 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1690660195 BCYURWWUYGGNLH-HOTGVXAUSA-N 404.515 1.724 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCCCC1 1690724603 SFBMBMRQEOKHOH-HNNXBMFYSA-N 416.569 1.161 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1690992893 BGRGGSPVVRUXBI-MRXNPFEDSA-N 419.493 1.739 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1693178377 MSLGWMSEEDBPFO-LZICOFPGSA-N 420.477 1.913 30 10 HDEE CO[C@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1697116623 FHJFPLLMNYRQKJ-HZPDHXFCSA-N 421.509 1.695 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1697788219 XWNUGWCPLQPYCO-ZBFHGGJFSA-N 416.457 1.380 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2=O)cc1 1705493340 HFOXANOBPJURHH-QFBILLFUSA-N 420.517 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1705584592 QRNUAPWQMGHHIR-UHFFFAOYSA-N 414.469 1.249 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1705604006 CPZCIUUARFJKQA-DYVFJYSZSA-N 411.553 1.317 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@](C)(CC)O1 1705629044 WAMHYISTEJIPHZ-HLIPFELVSA-N 424.567 1.614 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1705717976 WZVCSXZZIQKNCT-UWVAXJGDSA-N 424.567 1.921 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705747541 ORTSZWZEUNGFMO-SFHVURJKSA-N 417.857 1.709 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1705884496 PUEUBUDKJQNZGZ-LJQANCHMSA-N 420.558 1.323 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C1 1705904286 LLNCXHHSSOZXIJ-HOTGVXAUSA-N 418.542 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705934637 RWOSDYFMGKHXBR-UHFFFAOYSA-N 421.567 1.641 30 10 HDEE CCOCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1710627406 GXUNIGJIVSHPDA-KDOFPFPSSA-N 413.519 1.685 30 10 HDEE COC1(C)CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1711613259 PGZVTQBRZAXSIX-VHEBQXMUSA-N 423.477 1.015 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C 1712454789 SHRQWBHYVIHCGY-INIZCTEOSA-N 421.523 1.805 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1722307298 UAKYJJQOVKGTLX-UHFFFAOYSA-N 405.466 1.649 30 10 HDEE C#CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722319761 RIIGQVCCZSGRHS-UHFFFAOYSA-N 412.538 1.305 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1722329121 DPOBZEPOBISISS-SFHVURJKSA-N 413.478 1.327 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1722353480 WVGNRYANTZTAJO-CVEARBPZSA-N 409.556 1.507 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccsc1 1722374521 WNNNPQGQKLWNMN-LEWJYISDSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1722376054 UXEBCEYAAMJMDL-UHFFFAOYSA-N 420.922 1.733 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722436302 CEFWAAZEKSTTJL-HXUWFJFHSA-N 400.571 1.658 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1722607855 LPHMNVWEKXJLMN-UHFFFAOYSA-N 410.526 1.905 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1740547728 AHDJYRDVFIHDOD-AWEZNQCLSA-N 403.433 1.464 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740578376 AKMJXRSJECZQOK-KRWDZBQOSA-N 403.527 1.852 30 10 HDEE C#CCN(c1nnc(C)n1CCN(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1740617618 ULWZNINSSAEJMK-IBGZPJMESA-N 401.536 1.345 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1740626805 NHIIECXDKUFTIO-IAGOWNOFSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOC[C@H]1C 1740633894 XOIXTWDGHCCVTF-QGZVFWFLSA-N 408.462 1.647 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)nc1 1740657919 CIRAZYRRWPLACN-UHFFFAOYSA-N 419.489 1.265 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)COC)CC1 1740704625 QFHPOHXLUZFUNM-MRXNPFEDSA-N 410.522 1.897 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC(=O)N1C 1743320157 SDUDXEZZLHCXHQ-MRXNPFEDSA-N 422.489 1.742 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)O1 1744211129 HTXRYFLBFYUTJT-CYJAXWMASA-N 423.539 1.257 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1745894063 HAMSYTXQLFCGHA-QAPCUYQASA-N 412.494 1.414 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCNC(=O)C1CCC1 1748646718 CLNRCAIGSVIYBS-IIBYNOLFSA-N 403.527 1.695 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1748751203 DDTDOAIHWKTKIE-KRWDZBQOSA-N 407.540 1.571 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748824108 JBFSWFCBQOJFDN-QGZVFWFLSA-N 418.519 1.498 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1 1748863906 KKCXZMKCOJETCG-SFHVURJKSA-N 420.583 1.227 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1748930213 CEXBRWIKKPRLCG-QGZVFWFLSA-N 419.526 1.892 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1748991240 UFYDHPBHYDSHSP-MOPGFXCFSA-N 413.570 1.105 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1749105349 DOWYSEZZYDUQAC-UHFFFAOYSA-N 412.313 1.407 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749187587 WJZREMLSZHAPOZ-AWEZNQCLSA-N 400.443 1.752 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1749291861 KCINYJNJQFJOGR-OAQYLSRUSA-N 419.526 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC2(CCC2)C[C@@H]1CC 1749731950 OCAMEEPBIMDXEK-JKSUJKDBSA-N 421.567 1.989 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H]2c2nncn2C)n1Cc1ccc(C#N)o1 1750962017 VVXQPRQYVWYBQP-OAHLLOKOSA-N 409.454 1.399 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCOC[C@@H]1C 1751200492 AMDGGMUNUUSDBG-YQQAZPJKSA-N 424.571 1.691 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760161786 QKLGOBINOALRCL-HZPDHXFCSA-N 400.483 1.310 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1760236164 LGWOOOQDYZXNHU-UHFFFAOYSA-N 411.478 1.546 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)noc1C 1760282298 ZKUGVRKZCMTWRN-OAHLLOKOSA-N 423.564 1.788 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCOCCN(CC)CC 1760294407 WCAMDBNIITUBOM-DYESRHJHSA-N 402.543 1.580 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1760364951 HXEXXQJPAADEQD-QGZVFWFLSA-N 422.961 1.815 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1760378881 ALKLTOZYCXBWMK-UHFFFAOYSA-N 407.906 1.187 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760427679 GPFBYMZVFCAESM-LSDHHAIUSA-N 418.585 1.406 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)ccc1F 1760515747 YQTSHOGQIWURIU-UHFFFAOYSA-N 414.485 1.900 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760567905 QDIIVRQKBJHDOR-UHFFFAOYSA-N 422.580 1.265 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC2(O)CCOCC2)CCOC1 1761273812 IAKXXFRYYFPCNG-LAUBAEHRSA-N 421.542 1.989 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1761361047 ZQFLQIVFRPGEHZ-QWHCGFSZSA-N 420.495 1.179 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCOC 1767573986 CQTQMNKZEOJCEX-BTYIYWSLSA-N 414.510 1.423 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCOCC(F)F)CCN1C1CC1 1770746562 BPTGNWVNHQMZBF-HOTGVXAUSA-N 410.469 1.978 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1771112381 NBFJFSOTSAUCSN-OPYAIIAOSA-N 419.526 1.877 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1F 1772566377 KKJSTJGHMNROGB-HNNXBMFYSA-N 416.457 1.186 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC(=O)N2C(C)(C)C)cn1 1772791102 YXBCAMGDKQUARZ-WBVHZDCISA-N 410.430 1.863 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1772846646 KCNOAHNSKBANHW-GOSISDBHSA-N 424.505 1.870 30 10 HDEE CN(C(=O)CCCS(=O)(=O)c1ccc(F)cc1)C1CN(c2nccnc2C#N)C1 1849305120 KAMISXWRIKOGRL-UHFFFAOYSA-N 417.466 1.388 30 10 HDEE CN(C)C(=O)[C@H]1C[C@@H](OC(=O)COc2ccccc2C#N)CN1C(=O)OC(C)(C)C 1852536166 ZJLIHMLFOXILAM-HZPDHXFCSA-N 417.462 1.946 30 10 HDEE N#CC1(CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1853211810 HBNADUXBPYIKNW-GOSISDBHSA-N 400.504 1.229 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCCc4nc(OC)c(C)cc43)C2=O)CC1=O 1853689471 JJOAVNONBWIXIB-NVXWUHKLSA-N 412.490 1.313 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2ccccc2Cl)C1=O 1854262868 NZGLICDBHFSDKN-SFHVURJKSA-N 424.892 1.953 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncn1C 1854488809 YOPFMSSXQOWTMY-UHFFFAOYSA-N 414.487 1.902 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1 1854941914 USNAJDUCCBDKKA-HKUYNNGSSA-N 413.522 1.920 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855044240 LFVNTHUOULNKBA-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855423925 IKTDYXBCYXZFDM-IEBWSBKVSA-N 423.579 1.749 30 10 HDEE C=CCCN1c2ccccc2N(C(=O)CN(CCOC)S(C)(=O)=O)C(=O)C[C@@H]1C 1856244888 UWORMYVSFBIBGP-INIZCTEOSA-N 423.535 1.629 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856548908 UHYYUBFRISNGIP-ZBFHGGJFSA-N 401.488 1.457 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccc4c(c3)OCO4)C(=O)C2)C1 1856867537 ZIYVDGNJFIFGOE-DLBZAZTESA-N 415.490 1.504 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857026752 PMOLSEVBECYRIK-GOSISDBHSA-N 403.504 1.858 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@H]1CCN(C)C1=O 1857239523 CHVNUARYYOHLJH-AEFFLSMTSA-N 403.523 1.287 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857240576 QSOFFFXODUNVSK-PKOBYXMFSA-N 401.482 1.852 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(OCC)cc2)C1)[C@H]1CCN(C)C1=O 1857265309 UWVNTPHXLVETSC-ICSRJNTNSA-N 413.518 1.722 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)C1=O 1857489939 LFTJXHAQWCAHED-ZWKOTPCHSA-N 423.510 1.614 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCCC(=O)OCC)cn1CCNC(C)=O 1870453221 JYRDMJNJEUIKSU-UHFFFAOYSA-N 405.495 1.490 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1cccc(Br)c1 1874432484 IOMCQDHVDOVGAS-NGYBGAFCSA-N 411.285 1.136 30 10 HDEE O=C(CSc1nncn1/N=C/c1ccc(O)c([N+](=O)[O-])c1)NCc1ccco1 1874537817 YMGPLCFCRSPFPT-FBCYGCLPSA-N 402.392 1.776 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(C(C)=O)CC1)n2CCCOC 1875221358 LPBYUIMIGLQSSD-UHFFFAOYSA-N 400.483 1.370 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)NCC2(O)CCOCC2)[C@H]1c1ccc(C#N)cc1 1889326117 KAPDEHGKUZHPLL-MOPGFXCFSA-N 417.531 1.609 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H](CN(C)C(=O)OC(C)(C)C)C1 1982302425 IULPFMFNYABSSH-LBPRGKRZSA-N 413.334 1.793 30 10 HDEE CC(C)(C)OC(=O)N(O)CCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985098556 XDRACTBZQMEPEF-UHFFFAOYSA-N 408.264 1.731 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 1985102288 DZGBPKCQZOOGRS-UHFFFAOYSA-N 404.276 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)O)s2)[C@@H](C#N)C1 2106307509 NGWNJDFUVCMBIR-JTQLQIEISA-N 401.466 1.580 30 10 HDEE CC1(C)CC[C@H](NS(=O)(=O)N2CC(C#N)C2)[C@H](CNC(=O)OC(C)(C)C)C1 2174782033 LYCPKWOLNZPBST-GJZGRUSLSA-N 400.545 1.996 30 10 HDEE CC(C)(CC#N)CNC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197738716 FMDMBSODTQALRA-ZDUSSCGKSA-N 401.529 1.855 30 10 HDEE C#CC(CO)(CO)NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2242273634 ULRYGXPFVZIIEQ-OAHLLOKOSA-N 408.454 1.386 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1 2247826317 RXTPJQWZCGAHCS-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE CN(CCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2247833982 PADRJQIHCLBZAO-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE C[C@H](CN(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247839206 UAGOOFXCELTCPM-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247908553 WOQFPCWITASEBZ-INIZCTEOSA-N 412.343 1.970 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247916969 HRNSVBDVFQNRIQ-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248401748 NPIYAYGBAHOQMR-IUODEOHRSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2255953820 OTWYHKRYCPEOOT-UHFFFAOYSA-N 415.342 1.326 30 10 HDEE N#C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258175001 ICXSMBZMNIISGM-JYJNAYRXSA-N 409.464 1.368 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CC[C@@H](C4OCCO4)C3)c(Cl)c2)OC1(C)C 2267148478 AEGFSYOUXVLNEM-GFCCVEGCSA-N 408.691 1.869 30 10 HDEE N#C[C@@]1(C2CC2)CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270496161 KFIMPRVTJGOQCU-LPHOPBHVSA-N 421.475 1.321 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304562 MDHAWLNLYMMDHN-NEPJUHHUSA-N 405.322 1.449 30 10 HDEE C[C@@H]1[C@@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282491715 OSALRZLTGXTMGZ-ABAIWWIYSA-N 400.737 1.749 30 10 HDEE C[C@H](O)[C@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502877 QVDXPHLHDAZDTA-GXTWGEPZSA-N 401.359 1.722 30 10 HDEE C[C@H](O)CN(C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506894 YZJIZEAUQCBVRN-LBPRGKRZSA-N 401.359 1.722 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)N1 2282508489 WZNRYBRCCJWWOA-STQMWFEESA-N 400.375 1.559 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNC[C@@H](C)C1 2282832591 QCXZRDFRSYUCDS-WCQYABFASA-N 400.375 1.632 30 10 HDEE CS[C@H]1CCC[C@@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837997 YYGUVVKBSGSXFD-STQMWFEESA-N 401.363 1.282 30 10 HDEE CC(C)C[C@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852371 OJTMOWXYHOQUCH-ZDUSSCGKSA-N 403.375 1.980 30 10 HDEE C[S@@](=O)CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855378 CVBDWTJQCFKSOJ-RUZDIDTESA-N 419.399 1.436 30 10 HDEE CN([C@H]1CC[C@@H](O)CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881532 ZAUYDYRIVOMURP-BETUJISGSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@@H](N)CC(F)(F)C2)OC1(C)C 2282881626 ABQGQCGFBUGJHW-JTQLQIEISA-N 408.301 1.404 30 10 HDEE C/C=C/C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404694 YTFSEHRDGIBHTD-SYTKJHMZSA-N 401.315 1.745 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405758 PEWXPPUDBWAVLC-LLVKDONJSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3C(=O)O)s2)OC1(C)C 2284408698 YTSJIFYCKUOCNN-QWRGUYRKSA-N 401.315 1.579 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2301662916 UIFSFXFVHWGLOU-CYBMUJFWSA-N 424.303 1.848 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)CCS(C)(=O)=O)OC1(C)C 2343814700 TXTACKNONMSBLQ-UHFFFAOYSA-N 407.750 1.752 30 10 HDEE CN[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1(C)C 2361411088 NHHJLFLSZXJKRV-GFCCVEGCSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362338037 BPQZSGRNVCAKBG-KGLIPLIRSA-N 405.304 1.333 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C1(NC(=O)OC(C)(C)C)CCCC1 2367167241 MWVNKNJETUKDHK-GJZGRUSLSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790184 GHRABZFPVORZJN-CHWSQXEVSA-N 415.537 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2381419129 JSPDWGIZVSAKIH-GJZGRUSLSA-N 401.525 1.590 30 10 HDEE CC[C@]1(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)CCN(C(=O)C(C)C)C1 65292037 QIUCXXAXMYPKOV-NRFANRHFSA-N 418.563 1.902 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1 238848245 IVMGDDFKVQPJDR-LPHOPBHVSA-N 406.442 1.995 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2[C@H]3C=C[C@]4(CN(Cc5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 247916805 WNOQJISRGGKWFC-IUBSTNSRSA-N 423.513 1.307 30 10 HDEE CN[C@@](C)(C#N)Cn1cnc(I)c1I 306427352 ZGHNAEWATPKZKN-QMMMGPOBSA-N 416.004 1.594 30 10 HDEE CN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410035470 WRVXNDIWIIVJPM-UHFFFAOYSA-N 405.398 1.747 30 10 HDEE Cc1cc(NC(=O)N(CCC#N)CCN2CCOCC2)n(C2CCN(C)CC2)n1 431160663 UYMNJQAJHLJFQU-UHFFFAOYSA-N 403.531 1.538 30 10 HDEE CSc1nc(O)c(C(=O)NCCN(C)S(=O)(=O)c2ccc(F)cc2)cc1C#N 437463378 RXINMXGHWJNXMG-UHFFFAOYSA-N 424.479 1.570 30 10 HDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccccc3SCCC#N)CC2)n[nH]1 440761858 OUJCMIRCKNYLQY-UHFFFAOYSA-N 413.507 1.402 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 461322800 JLPAYOIMQJHWOG-SFHVURJKSA-N 408.524 1.302 30 10 HDEE COc1ccnc(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 462091622 JCWFILGSNQBIRE-UHFFFAOYSA-N 405.422 1.292 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cn(C3CCOCC3)nn2)cc1 463945595 NJLJGRFTVNUSEP-QGZVFWFLSA-N 412.475 1.655 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ncccc1OCCCC#N 466607762 MOARZQDCIBQGIC-VDERGJSUSA-N 416.434 1.721 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@@H](C)Cn3cncn3)c(C#N)c2N)cc1 477949616 MCUVAKOAKJKJGP-HNNXBMFYSA-N 407.482 1.547 30 10 HDEE CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1cnc(C)c(C#N)c1 489023319 PHDXQEZKULFWKZ-UHFFFAOYSA-N 415.475 1.869 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508861752 DXFSBFOIIUSRLG-HNNXBMFYSA-N 412.498 1.098 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccco2)c1=O 522275759 OPKWIUVDIGZSBI-UHFFFAOYSA-N 424.478 1.934 30 10 HDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)NCCOc1ccc(C#N)cc1 530582627 IYLOSTWSUMGPQA-UHFFFAOYSA-N 410.474 1.670 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 531649591 UBNMSICNIIUYSN-UHFFFAOYSA-N 416.419 1.381 30 10 HDEE C=CCN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1cccc([N+](=O)[O-])c1 532487406 NGUWBUZSHGKFHG-UHFFFAOYSA-N 412.450 1.420 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H](C(N)=O)c3ccccc32)CC1 537272556 DOOMRZFILKQIRP-HKUYNNGSSA-N 423.542 1.936 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1 538521046 GEMFXKYXMUCKLX-UHFFFAOYSA-N 408.524 1.686 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2c[nH]c3nccc(Cl)c23)CC1 539848925 CPESSPFDYQMVEE-UHFFFAOYSA-N 402.867 1.994 30 10 HDEE COc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)ccc1S(=O)(=O)N1CCCC1 543997184 SFHQPNPHNBKDPJ-LBPRGKRZSA-N 404.452 1.143 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544864721 GCHYXWGZQWPOGB-ZDUSSCGKSA-N 405.505 1.030 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCNc3nccc(C(F)(F)F)n3)CC2)n1 545509882 CZMHDUKXFABJHX-UHFFFAOYSA-N 420.399 1.706 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1F 556803189 QHHLNXIJROMXGZ-FQEVSTJZSA-N 424.407 1.928 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCCCO2)CC1 570585323 CSJIHHVVQLEFJE-SFHVURJKSA-N 404.559 1.470 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3occc3c2)c(=O)n1Cc1ccccc1 576969338 VMBOVPANCJMUAJ-UHFFFAOYSA-N 415.474 1.953 30 10 HDEE CN(C)CCCOc1cnccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 582509034 RYQWOIPYQDOPDB-UHFFFAOYSA-N 423.521 1.711 30 10 HDEE C[C@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862846 DJUUIEGRVTXEMX-CALCHBBNSA-N 415.513 1.331 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)CCN1C1CC1 732650390 QAFVJHCEALKGMH-HZPDHXFCSA-N 408.549 1.490 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1ccccc1Br)[C@H]1CCS(=O)(=O)C1 732756108 AUTJAGBSXBUKNR-STQMWFEESA-N 400.294 1.865 30 10 HDEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)NCc1ccc(CN2CCOCC2)cc1 734600152 XQLOLXQFALGSKB-INIZCTEOSA-N 408.458 1.647 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)no1 737881204 DCESMQZUDXNJGI-OAHLLOKOSA-N 417.491 1.951 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)OC(=O)CN2C(=O)NC(=O)C2(C)C)c1 745050487 VRVCRQAUOZVHMY-OAHLLOKOSA-N 414.462 1.812 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CN(Cc2ccccc2)CCO1 746289272 AFZQWVBGPIWCOG-ODKNCQNMSA-N 412.490 1.309 30 10 HDEE C[C@H](CC(=O)Nc1cc(C(F)(F)F)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 746290472 MDYPPAOAHMWCPN-MRVPVSSYSA-N 401.370 1.884 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)cc1C#N 747591595 YZVAZMCYKJRDMC-CYBMUJFWSA-N 421.523 1.662 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 748815423 MVRZIICQEWRJBT-UXHICEINSA-N 418.582 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 751305447 ZYSNWBJTBYXCFS-HNNXBMFYSA-N 403.508 1.912 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)c1 753749330 CYFLRGGEAJLHNS-VOTSOKGWSA-N 409.508 1.962 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)ccc1F 756111229 ULGQDLKPMOZFCE-KRWDZBQOSA-N 415.450 1.928 30 10 HDEE COC(=O)CCSc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 756780669 QTTXEVKIRPPGPQ-MRXNPFEDSA-N 416.503 1.479 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758752866 NREIVCRUARESMR-CWRNSKLLSA-N 404.467 1.787 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)OCC(F)(F)F)CC2)n1 760777992 PBWOCJBSSZSJNY-AWEZNQCLSA-N 411.384 1.765 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CCN1C1CC1 764505718 APVHAJICAWDGFL-PBHICJAKSA-N 405.861 1.966 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCc2ccccn2)cn1 771898600 PYGLPVVWRLZSOF-MRXNPFEDSA-N 400.508 1.998 30 10 HDEE C=CCNC(=O)Cn1c(=CC(=O)C2CC2)sc(=Cc2cncc3ccccc23)c1=O 772825288 QSEHJPAPJDQMMN-UHFFFAOYSA-N 419.506 1.349 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)cc1 772926684 URMYICDCZPKBBO-GDBMZVCRSA-N 407.492 1.195 30 10 HDEE CC(=NNc1ccccc1S(N)(=O)=O)c1ccc(N2CCCS2(=O)=O)cc1 773120867 NGNPKLFDRNYFKA-UHFFFAOYSA-N 408.505 1.710 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ccc(F)cn3)CC2)C1=O 774649365 MRSGEFBKLWIXLC-NRFANRHFSA-N 408.437 1.639 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC)Cc1cn(C)nn1 782103932 UZEPKEYSTNOWIE-INIZCTEOSA-N 418.523 1.461 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 786294275 RZECZGGEUZERBA-CQSZACIVSA-N 417.510 1.631 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)n1 788695483 PNNJCUUAEIBUGZ-UHFFFAOYSA-N 422.898 1.358 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](CCS(C)(=O)=O)c1ccccc1 789436467 QVLLBFNUURJSRL-KRWDZBQOSA-N 420.512 1.890 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)N(C)C1(C#N)CCCCC1)S2(=O)=O 790026128 HORFOVKHZDHWFL-UHFFFAOYSA-N 421.475 1.533 30 10 HDEE C#C[C@H](NC(=O)C(=O)NCC1(c2cc(C)ccc2OC)CCOCC1)[C@H]1CCCO1 793934785 AZSCRCQNHHXTJB-AZUAARDMSA-N 414.502 1.465 30 10 HDEE C#Cc1ccc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)cn1 797583569 ZNRRKMBLYZWIMR-FQEVSTJZSA-N 400.456 1.675 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(-c2noc(C(F)F)n2)cc1 798169521 HTGXSQNIROUWII-GHRIWEEISA-N 403.345 1.930 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cc2nc[nH]c12 800490821 OPSRUWSAEQUYSE-JQIJEIRASA-N 404.224 1.582 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)cc2)=NO1)[C@@H]1CCS(=O)(=O)C1 802371649 WORFLYZCNVGJPP-WBVHZDCISA-N 405.476 1.020 30 10 HDEE COc1ccc(-c2nsc(NC(=O)NCCN/C(O)=C3\N=CC=CC3=O)n2)cc1 809927609 GRZHHWGLMOYSSM-JQIJEIRASA-N 414.447 1.862 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 810515829 VWEPUIMUKRURSU-XJKSGUPXSA-N 418.473 1.590 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3cnccc3C#N)CC2)C1 814144215 NPRVBGFPOMOLFA-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE CCOc1ccc(-c2nnc(S)n2N=Cc2nccn2S(=O)(=O)N(C)C)cc1 814770715 MAGQVVZVKCELSQ-UHFFFAOYSA-N 421.508 1.366 30 10 HDEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1=C(O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]1C2 1088692798 WIGMJSZAYZPVGO-DIFFPNOSSA-N 410.426 1.968 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)[C@@H]2C[C@@H]2C#N)c1 1124203369 CIOWEXWIWYECMV-GDBMZVCRSA-N 406.508 1.652 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)CC1 1128860909 ALJPXRMIYWWOPW-UHFFFAOYSA-N 407.492 1.634 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ccsc2C#N)CC1 1131128115 CKGXKCYPGZBZPE-MRXNPFEDSA-N 410.565 1.863 30 10 HDEE CC(C)COC[C@H](O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1137398152 KYJHJTREYCMSAM-MRXNPFEDSA-N 410.312 1.907 30 10 HDEE C#CCN(C)C(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1138189670 UQSCAWSUCDKQQU-FQEVSTJZSA-N 405.454 1.861 30 10 HDEE C=CCn1ncc2ccc(NC(=O)c3cc(S(=O)(=O)NCCOC)c[nH]3)cc21 1157640613 WMLDHXGFUUFSOM-UHFFFAOYSA-N 403.464 1.727 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1 1158447406 HGXIRAFGPJIRQF-LJQANCHMSA-N 408.376 1.947 30 10 HDEE C#CCN(CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H](N(C)C)C1)C(=O)OC(C)(C)C 1160096266 HLNNLEQUGBASNP-ROUUACIJSA-N 422.570 1.550 30 10 HDEE Cc1ccc(C(=O)NCC2CCN(CC(F)F)CC2)cc1S(=O)(=O)NCC#N 1160297471 JNHXGBPYOQJWNW-UHFFFAOYSA-N 414.478 1.504 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCCN2CC(F)F)ccc1F 1166854651 OFVABYYYOLMMCH-CYBMUJFWSA-N 405.442 1.749 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3ccsc3C#N)cc2)CC1 1189191421 BYJHZOIFGCKTLE-UHFFFAOYSA-N 404.517 1.767 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1190512615 UUIKIXRBORDCOO-FCGDIQPGSA-N 424.519 1.675 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1192643694 HNIQKOBQXAUMFX-UHFFFAOYSA-N 423.438 1.376 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1226109225 ADMISIDZCIPVQJ-PKOBYXMFSA-N 411.506 2.000 30 10 HDEE COc1cc(CNC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)ccc1C#N 1227901454 KLWWVIXSUOYLEG-UHFFFAOYSA-N 400.460 1.482 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)CC1 1253402679 ZNUSCJLDRHMIKM-SFHVURJKSA-N 411.487 1.455 30 10 HDEE C#Cc1ccc([C@H](OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)cc1 1272444892 WARQIGMCURIMLB-ZLVKTETGSA-N 407.344 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1286276191 WICMQOJQDVPKNR-QWHCGFSZSA-N 405.480 1.123 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C#N)o1 1286426192 NBQYKTMYGAUGJS-UHFFFAOYSA-N 402.414 1.982 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC(F)(F)C2)CC1 1286470160 UDJIGBSYLSORNE-UHFFFAOYSA-N 415.448 1.726 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@]2(N(C)C)CCSC2)n1 1286470374 URDVWLBBEBDIRG-HXUWFJFHSA-N 417.583 1.507 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCOc2ncccc2F)CC1 1286480343 LPMIISZZFGLQCH-QGZVFWFLSA-N 414.485 1.540 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C#N)C1 1286547000 MCPHDTOEIHWGIC-NJAFHUGGSA-N 416.526 1.906 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@@]1(OCC)CCOC1 1286562862 BFKBTFZRGPLRNU-DJPFJPOOSA-N 421.542 1.484 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1286614796 CKULJNSSFGVVDN-IRXDYDNUSA-N 422.530 1.056 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286652982 ORIDDGNULNOLOS-KRWDZBQOSA-N 421.567 1.741 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286715276 FXIYQIFRKLQCNS-CQSZACIVSA-N 412.560 1.100 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C)CC1 1286785359 DLEHNCOEBVJFOT-CQSZACIVSA-N 400.483 1.934 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1286830278 KQASRLDAFUYPIB-ZDUSSCGKSA-N 400.499 1.536 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1291428628 AIHVPZLRGZJUDH-GJZGRUSLSA-N 411.510 1.793 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3c[nH]c4cccc(C#N)c34)C2)cc1 1295847623 PFDFNRIRXVOHMU-UHFFFAOYSA-N 410.455 1.851 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1298691151 WWBTYSRENWSMKH-QUCCMNQESA-N 416.474 1.442 30 10 HDEE CNC(=O)CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C#N)o1 1299221340 MDBPKAMZSCVSOW-UHFFFAOYSA-N 408.462 1.963 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1 1299264259 AONHHDDWUDCBCG-SCOAYWHSSA-N 407.488 1.701 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1299423492 DTCNVTVDTIAXED-UKRRQHHQSA-N 403.487 1.446 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OCCN(C)C)cc1 1300303484 KYUPPGOFFOJKQS-YLJYHZDGSA-N 424.549 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1CCN(C(=O)OC)CC1 1300322054 PSZFZROQEVIGLS-HNNXBMFYSA-N 402.499 1.337 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300458892 NKNDQTFEZRTZPW-IXDOHACOSA-N 423.583 1.137 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300502484 VPYXENRIRFCHON-RDJZCZTQSA-N 421.567 1.162 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1300769375 FMLDRFJRTUUMDV-MRXNPFEDSA-N 415.523 1.147 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)[C@H](C)C1 1301489958 IHHMSHPJOPJXSZ-OAHLLOKOSA-N 402.499 1.306 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1 1301815209 NJLMSWBGAHOXDU-OAHLLOKOSA-N 403.504 1.880 30 10 HDEE COCCn1c(Cc2ccncc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1301838184 HAMALNNRABDURN-UHFFFAOYSA-N 404.478 1.504 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2COCCO2)c1 1302989066 HILDCCUZEYBPHO-JKSUJKDBSA-N 423.395 2.000 30 10 HDEE CC(C)N1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1303311310 YVYGMDIRHLRZLJ-CZIZESTLSA-N 413.526 1.602 30 10 HDEE C[C@H](C(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1)n1cnc(C#N)n1 1304157689 DLOYZHLBJSXXET-ZUIJCZDSSA-N 418.498 1.776 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H](C(=O)OC)c2cccc(C#N)c2)CCO1 1307968042 SSEYDWJRFWXXJB-UWJYYQICSA-N 404.463 1.831 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3nc(-c4cccs4)cs3)C[C@H]1CS(=O)(=O)C2 1308128103 LSFDWVQTJLKJDK-MEDUHNTESA-N 408.530 1.680 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1313358430 ITNRZODOMJGBIB-YQQQUEKLSA-N 404.536 1.740 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1314962602 SGNICSMGXFKRBM-VXKWHMMOSA-N 424.505 1.585 30 10 HDEE CO[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1)C(C)C 1315226316 CNFUKVYZIOZTOW-GBESFXJTSA-N 413.478 1.961 30 10 HDEE CS(=O)(=O)CC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1316341332 KTYYRERCTMQQAR-MRXNPFEDSA-N 407.540 1.737 30 10 HDEE N#C[C@H](NC(=O)Cn1nc2n(c1=O)CCCCC2)c1ccc(Br)cc1 1318781991 NTLLOMYXQMAQDO-AWEZNQCLSA-N 404.268 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1358870905 WMFDODYLSSCEFP-MRXNPFEDSA-N 417.535 1.489 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1358888046 GUCOJYYNJQIRPR-SLFFLAALSA-N 402.587 1.904 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1358913774 YFPPFMVNUVSWCN-CVEARBPZSA-N 408.528 1.010 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1358927049 LMSSHRWKTCHQIE-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358956773 KMTWHBJQPZCFKC-OAGGEKHMSA-N 421.567 1.333 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359028590 XLQCNVRQGOCEGL-VGOFRKELSA-N 418.586 1.749 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCNC(=O)C1)C(C)C 1359266319 YJAMNHAMTVOGMO-IBGZPJMESA-N 409.538 1.975 30 10 HDEE C=CCN(C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)[C@H]1CCS(=O)(=O)C1 1360055540 UIBKUJTUNVOYLH-AWEZNQCLSA-N 410.492 1.005 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1noc2c1CCCC2 1360644837 DLVKCVPSTVYQJC-CHWSQXEVSA-N 421.527 1.542 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)c(C#N)cn1CC 1436863450 SHVLLUOEAHYIRA-IRXDYDNUSA-N 412.494 1.964 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)C1=O 1439093682 LCDIJQDCIRMDQY-RNODOKPDSA-N 420.466 1.012 30 10 HDEE COCCNC(=O)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1440854492 SRIREWXCYFFOPQ-INIZCTEOSA-N 410.515 1.575 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC[C@@H]2CC(=O)OC)s1 1444692801 XDPMYXYLTZSUHH-LBPRGKRZSA-N 418.562 1.262 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1446693788 DAFCFLSLIWPBGW-GIFJBRJJSA-N 406.504 1.387 30 10 HDEE COC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccncc1 1452553744 HCGYXRDFIMYXNL-MRXNPFEDSA-N 405.407 1.552 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCn2c(Cc3ccccc3Cl)nnc2C1 1460797426 XEJAPXRNIGQCNJ-UHFFFAOYSA-N 411.897 1.994 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CCCn2c(O)nnc2O)CC1 1464749027 PKKRPSKCXPPKGT-UHFFFAOYSA-N 407.434 1.238 30 10 HDEE O=C(NCCNS(=O)(=O)c1ccc(F)cc1Cl)c1cccc(C#CCO)c1 1467407488 CISFKLYPOJKNMS-UHFFFAOYSA-N 410.854 1.531 30 10 HDEE N#CC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(F)(F)F 1471959666 FNUXMKPZEXFWQC-NSHDSACASA-N 411.427 1.468 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(c2nc(N)nc(C(F)(F)C(F)(F)F)n2)C1 1472822294 NFVNTBFRBQZBHL-SECBINFHSA-N 408.253 1.613 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(CCN(C)C)C(=O)C2)ccc1Cl 1473607633 YZVQRLUTZBJIIF-UHFFFAOYSA-N 405.930 1.601 30 10 HDEE Cc1ccc(-n2nc(C)cc2NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1473824256 DLSJZDXHPBGSCN-JXFKEZNVSA-N 413.503 1.298 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(S(=O)(=O)CC2(C#N)CCCC2)C1 1475744201 VQZQGGRZLFOCKN-SFHVURJKSA-N 401.529 1.752 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1498535644 NJIOYHFUXNDVBQ-LSDHHAIUSA-N 415.498 1.254 30 10 HDEE CCc1nnc(N2CCC(C)(COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1498910921 LDSJBEZTMCYUAV-ISLYRVAYSA-N 402.499 1.620 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@@H]1CCOC1 1503105213 XVFBLMWGNOZJLJ-QGZVFWFLSA-N 411.510 1.834 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1503564420 ZIPPFUADAUTTHW-INIZCTEOSA-N 414.466 1.577 30 10 HDEE COCCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1505013683 AOLQDQPQRSJEMH-ROUUACIJSA-N 413.478 1.584 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CCCCCN2CCCC2)CCO1 1505322927 CHGZFNMNWZLUQP-GOSISDBHSA-N 415.542 1.395 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507669121 HRGDIKCAQCIXAW-MOPGFXCFSA-N 423.492 1.728 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCC2CCOCC2)CC1 1507719470 NVLYDDLIYLWHKW-GOSISDBHSA-N 405.543 1.574 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CC(N)=O 1507810567 XHFKEQNCEBTLLP-SYNHAJSKSA-N 415.542 1.821 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)CC1 1507897295 PDTYVSMTTISIBE-AWEZNQCLSA-N 421.571 1.689 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1508075392 QHNJJIYUITXKKI-OAHLLOKOSA-N 400.483 1.649 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(OC)CCOC2)C1 1508126211 GUMGHHREEABEEU-RYLXDESZSA-N 422.526 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](F)C2)nnc1[C@@]1(OCC)CCOC1 1508150107 ZSHOTXXTKBHAAO-RVKKMQEKSA-N 416.519 1.325 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCOC1 1513401983 ZXTOJRNJBFGYQY-CRAIPNDOSA-N 415.542 1.410 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 1516761645 LGEJPIXQEMKLKT-UHFFFAOYSA-N 415.427 1.690 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1517307982 CGWZOSDHBLXPPT-UHFFFAOYSA-N 421.523 1.371 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1517402505 SKZMJRLKDDIOIG-RBUKOAKNSA-N 413.413 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1534262504 VHSIAWSEMBKOFH-GJZGRUSLSA-N 416.544 1.504 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)[C@@H](C)COC 1538864763 SUPIYXGAYVRTMX-YCRPNKLZSA-N 403.479 1.820 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539034268 BKBAWDYGVXGHGQ-ZNMIVQPWSA-N 401.433 1.851 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCN1CCN(C(C)=O)CC1 1539403607 UMRSWQKXVAUMIM-UHFFFAOYSA-N 414.510 1.097 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539430273 IEKDBCTUTQPYGM-WOJBJXKFSA-N 401.603 1.573 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1539474039 HWWMFJLEKYXLEA-UHFFFAOYSA-N 420.517 1.945 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539517522 PGGXEGTZNIEYRZ-OXJNMPFZSA-N 416.551 1.634 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1540664491 LBLUYVIMHBLAKA-GFCCVEGCSA-N 405.303 1.865 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1540854077 FCCGYBJMBSTFNP-INIZCTEOSA-N 407.515 1.263 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@@H](OC)C1 1540866196 GBDMCPCLVSZFBI-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCOC[C@@H]2OC)C1 1540890845 KWVWBQLJXBFADK-YVSFHVDLSA-N 405.499 1.062 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1541090508 UCUHJMNYWXFXLU-IBGZPJMESA-N 421.505 1.796 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCCc1nc2ccccc2n1C)c1cc[nH]n1 1543372076 DIVGHEKXYIKSAE-UHFFFAOYSA-N 412.450 1.329 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)cc1 1557328814 RDRVUWMBINDSMP-BQFCYCMXSA-N 422.503 1.075 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)CC(F)(F)F)n[nH]2)c1C 1557396121 JBZDTVFFSWCNJM-UHFFFAOYSA-N 419.429 1.783 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3OC)s2)CC1 1558074729 GSMXXSXKRLTLOS-UHFFFAOYSA-N 419.528 1.649 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C[C@H]3CCCO3)C(=O)OC)n[nH]2)c1C 1558283896 ASXVOEFUWYLAHN-RHSMWYFYSA-N 401.467 1.917 30 10 HDEE C#CCC1(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCCC1 1558513152 DGLXSEJBWJTEQY-HNNXBMFYSA-N 403.504 1.529 30 10 HDEE Cc1c(Br)cccc1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806465 QKFWRBVQMYLBEM-UHFFFAOYSA-N 403.236 1.518 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2ncc(Br)cc2C#N)CC1 1559097597 ALEXMYIIXDASTR-CYBMUJFWSA-N 410.316 1.379 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1 1561912988 HOFAHBWJJSDKRG-AWEZNQCLSA-N 404.410 1.868 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 1562780567 GWFKMNIMBDXDSA-AWEZNQCLSA-N 407.414 1.320 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1564790789 OTPAPXOGTBBQOW-MSOLQXFVSA-N 408.524 1.160 30 10 HDEE CSc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)N(C)C)cc1 1564815455 ATRCENHFSPKCAS-WDYCEAGBSA-N 422.576 1.591 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1584661685 VKNNWCQHIBJMAB-GOSISDBHSA-N 405.520 1.371 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1585444684 DHAAWKYYEDZYGL-IBGZPJMESA-N 415.471 1.954 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CC#N)c2ccccn2)cc1 1586333984 OBBUZEQDVGEXTN-UHFFFAOYSA-N 401.448 1.217 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1587758966 LFSCYRHOUPXPLB-MRXNPFEDSA-N 407.540 1.436 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1588090234 ULKZLHOCUCXBCH-QIJUGHKUSA-N 414.506 1.341 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCNC(=O)c1cccs1 1588149513 VIBHWTDLMDAFLR-UHFFFAOYSA-N 404.499 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1F 1588181444 UJADZRFHCFSJAP-CQSZACIVSA-N 421.473 1.678 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1588256637 OJIUNDCUIDMMQB-UHFFFAOYSA-N 415.397 1.561 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1588811156 BEBORSDAURDOJS-LJQANCHMSA-N 409.534 1.813 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2CC)CC1 1588913556 MVQIVZRETIOIBP-LJQANCHMSA-N 423.565 1.734 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1595522727 JAKWLEVDQXGYCV-UHFFFAOYSA-N 422.411 1.990 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1595871720 XEIOEJBJPGWXPL-UHFFFAOYSA-N 404.584 1.819 30 10 HDEE CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@@H](C#N)C1 1596752147 PFNAWIUKJSVCQN-SFHVURJKSA-N 412.494 1.729 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1597323810 HPEZABSTVACQSQ-JZLODUJNSA-N 410.467 1.061 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705318 QQAMJNTVASVVBD-HXOBKFHXSA-N 418.453 1.617 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(C)(C)C 1607490018 STXWSHOFANHQSE-CYBMUJFWSA-N 405.455 1.143 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)C1 1608147404 RVCGPQBVWSXGOJ-YTQUADARSA-N 414.506 1.871 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1612657094 AMQACTGZVUBBJJ-ZHRRBRCNSA-N 424.505 1.965 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccccc3OCC)[nH]n2)CC1 1615208686 FGXFYUDNMFOJSK-UHFFFAOYSA-N 409.490 1.373 30 10 HDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN(C(=O)c2ccccc2)C1 1617487687 QKIJPXSBIQJXEV-YYWHXJBOSA-N 415.515 1.326 30 10 HDEE N#C[C@@]12CN(C(=O)C3(c4cccc(Cl)c4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1617488388 YGCRNPQAJJTMBL-YJBOKZPZSA-N 408.907 1.785 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC2(CC1)C[C@@H](O)CNC2=O 1620636691 HYGCICLDYFFRRE-DLBZAZTESA-N 414.506 1.293 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849567 CUBYWHAILHTQRD-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)c1 1625179066 JCGSUGIXMFJBAL-UHFFFAOYSA-N 424.461 1.420 30 10 HDEE C=CCOc1ccc(CC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1626648208 PUFARCGZRZDNFL-UHFFFAOYSA-N 409.490 1.439 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2Cc3cccc(C#N)c3C2)C1 1628184882 PATRMPRGHRSKLS-INIZCTEOSA-N 419.503 1.825 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1628807275 UKUMKRBMFKELLM-IBGZPJMESA-N 405.520 1.546 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCOC[C@H]2CC(N)=O)nnc1-c1ccco1 1630161194 YKDBDBVWXLXPSV-CYBMUJFWSA-N 405.480 1.309 30 10 HDEE C[C@@H](C(=O)N(CCC#N)Cc1ccccn1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1632948343 UTEYRBWQWKKONK-INIZCTEOSA-N 415.494 1.792 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1633176010 YNSOQOKTPYNYLT-HNNXBMFYSA-N 402.463 1.809 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1Br 1633360789 PHHCHUMXVYCUJH-OAHLLOKOSA-N 408.296 1.757 30 10 HDEE CN1CCC[C@H](N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1633591337 FUFANQVVNSESMM-ROUUACIJSA-N 407.559 1.812 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)[C@H](O)c3ccncc3)cc2C1=O 1634770100 GLLILDVMBFTRAU-ZWKOTPCHSA-N 423.425 1.259 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 1635117428 HRXCAASDAJBKPE-OAHLLOKOSA-N 409.483 1.307 30 10 HDEE C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)N1CCO 1635683391 YCGIHLGFQIKOLO-MXIOHGBHSA-N 420.554 1.687 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(NC(C)=O)cc2OC)c1 1636617091 OHMVUCSSUUAFDX-UHFFFAOYSA-N 401.444 1.817 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc1 1637381575 WNGVZSOSFONJET-KRWDZBQOSA-N 401.492 1.275 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCC2(n3cc(Br)cn3)CC2)cc1 1637632780 DUSWBXPTSWKDJE-UHFFFAOYSA-N 402.252 1.553 30 10 HDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CC[C@](O)(CC#N)C2)c1O 1643612746 PNQMYKYRZYHZKR-HSZRJFAPSA-N 419.437 1.988 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)cn2)cc1 1643986125 VNFQEQBZBZCLFF-UHFFFAOYSA-N 403.398 1.900 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(O)c1 1645992320 ZZPYEAVIYGOAEC-HXPMCKFVSA-N 421.475 1.750 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)C1 1646382064 RMXVPAHYUIPHOQ-GOEBONIOSA-N 406.504 1.372 30 10 HDEE Cc1ccn(C[C@](C)(O)C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(=O)c1 1651185076 OBMGSOJYSPGQKV-NRFANRHFSA-N 404.316 1.993 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cc(C#N)c(F)cc2C)[C@@H](C)O)cc1 1651372537 MMLHKBBXYXFDCX-ACJLOTCBSA-N 405.451 1.981 30 10 HDEE N#Cc1cccc(CNC(=O)CSc2nnc(C[C@H]3CCS(=O)(=O)C3)o2)c1 1651711128 DCIVIPNDMDMDFN-CQSZACIVSA-N 406.489 1.327 30 10 HDEE COc1cn(C)nc1[C@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1652635109 QNMBIIKKVLBONV-LBPRGKRZSA-N 405.480 1.125 30 10 HDEE CC(C)N(CCCNC(=O)Cn1cc(C#N)c2ccccc2c1=O)S(C)(=O)=O 1652970749 YAULGAAKOCIAMZ-UHFFFAOYSA-N 404.492 1.049 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)c2cc3c(s2)CCCC3)cc1 1653018433 OBXRJECGODCWBN-UHFFFAOYSA-N 417.512 1.776 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1655034471 FAAYTWZDUQXDDS-LJQANCHMSA-N 403.548 1.965 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCC[C@@H](CC#N)C1 1655039313 FLOQMEUNANBPGW-INIZCTEOSA-N 404.536 1.842 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1669473040 UTUVTSQGTJELPW-FVQHAEBGSA-N 421.519 1.746 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 1672652132 MIEUICRUPRSVJG-ZDUSSCGKSA-N 417.247 1.856 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C1CC1 1681226413 HHRBJEFETUFPCT-QXSJWSMHSA-N 406.483 1.586 30 10 HDEE Cn1nnnc1C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1686084631 QMCBJCPPYFTFPP-KRWDZBQOSA-N 408.466 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689844754 IQPRRMSOJJDQCR-HKUYNNGSSA-N 409.538 1.741 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1689991121 WDKHXEKDQOSTPR-RTBURBONSA-N 414.531 1.847 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccn(C)n1 1690094289 YHTYTUMCFRTTOU-FQEVSTJZSA-N 402.499 1.187 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690255207 ONTVNJDMLUUQQE-VDCDIQELSA-N 420.510 1.471 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2)C1CC1 1690536569 BXGBOMNYUNLLHL-CYBMUJFWSA-N 420.539 1.958 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC)C1CC1 1690545154 KTFXKHJYTWJBMT-BFYDXBDKSA-N 410.540 1.387 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690666956 MFIOWNMSJKTCIB-FQEVSTJZSA-N 414.441 1.417 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690673330 SYAUGXHNTUJKFD-QZTJIDSGSA-N 408.506 1.194 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CC(N)=O 1690682430 OLOQWCMGAVWQDK-HNNXBMFYSA-N 409.494 1.992 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN2CCN(C(C)=O)CC2)C1 1690691476 DZKSVZDNESJCEG-OAQYLSRUSA-N 424.549 1.891 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690739979 FJLMYESXEVRGOS-UONOGXRCSA-N 410.569 1.912 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(OC)CCOC1 1698245933 MMLHFWQHJUAZIZ-SAKMYQHLSA-N 409.462 1.250 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1COCCO1 1705485549 KUWAOQSANAPJOJ-MAUKXSAKSA-N 408.466 1.184 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705495229 MKRKGPAJOTWDGT-XLSPSMHOSA-N 422.551 1.366 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705532336 LZARGVISLMGZAQ-QZTJIDSGSA-N 421.567 1.590 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705551714 CSTFSQHPYYOCMI-ZWKOTPCHSA-N 402.543 1.184 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1705561865 VBNQJQFYODHGBV-QGZVFWFLSA-N 418.519 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC(F)(F)F 1705572505 DKDXXVLFGJZSBC-UHFFFAOYSA-N 406.368 1.925 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccccc1 1705572608 ICUIWGZVCYFDSU-QHCPKHFHSA-N 414.469 1.906 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)c2ncc(C)s2)CC1 1705638416 KHEVLUWGNGNCOI-GDBMZVCRSA-N 413.551 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccccn2)CC1 1705648341 RLOBZXPTNYKSEY-SFHVURJKSA-N 408.506 1.386 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705741309 MFJATGYKECDGTC-HZPDHXFCSA-N 404.471 1.992 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705838455 PUSCGOSHRLECST-UHFFFAOYSA-N 406.508 1.516 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1705896162 DAZIGMZZNWHSQA-INIZCTEOSA-N 413.478 1.645 30 10 HDEE CC(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1706449467 CUFYDAIBHCFMLE-GOSISDBHSA-N 421.505 1.400 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnccn2)CC1 1711510576 DSNPWRKDIYPCHP-INIZCTEOSA-N 404.478 1.968 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1ccnc1 1722294041 FPZQDKDRMGCRQA-FUHWJXTLSA-N 424.530 1.872 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](C)N1CCOCC1 1722343026 FEOJAOUDEUUCLF-CQSZACIVSA-N 421.343 1.836 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1722343702 OLKHNOMURJDHLB-KRWDZBQOSA-N 407.316 1.182 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCN(C)C 1722352174 FQYYVFJGVKLCIG-UHFFFAOYSA-N 423.521 1.323 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC1CC1)[C@@H]1CCS(=O)(=O)C1 1722366180 HEANAUAOGLBZIU-QZTJIDSGSA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1722369463 ZQXZGFNWGUZGPF-KSZLIROESA-N 420.535 1.839 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722620883 SWMAWQDTSKMOPK-HZPDHXFCSA-N 402.499 1.862 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1722722551 PADDJVHNUQQLNS-KRWDZBQOSA-N 424.498 1.822 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCn1ccnn1 1722868715 DJIBDMFLTSUQKJ-CQSZACIVSA-N 413.511 1.547 30 10 HDEE CC(C)c1nnc(N2CCc3c(ccnc3O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1723170570 ZBQITLVFLJJXLL-JZJYNLBNSA-N 423.477 1.591 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1724012644 YUZWHHZEWIPPRJ-HRAATJIYSA-N 422.493 1.382 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)C[C@@H]1N1CCOCC1 1726670222 DEHZWCOAESVJTI-LPHOPBHVSA-N 410.522 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCOCC1 1740533628 HNUPNOHGBNJCGY-ROUUACIJSA-N 402.543 1.329 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCNS(=O)(=O)CC 1740556940 XBMWHOIMRZHMKN-ZDUSSCGKSA-N 410.569 1.421 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@]1(N2CCOCC2)CCSC1 1740599438 APXHSFILNKHLBK-PXNSSMCTSA-N 423.583 1.279 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1740631146 PRKZAKZXROYZRA-CYBMUJFWSA-N 418.548 1.343 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)CC1CC1 1740656040 LINYCIZESQTOAL-SFHVURJKSA-N 404.536 1.460 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740728883 QNMFQZOEOFCFTC-HNAYVOBHSA-N 402.524 1.547 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)CC1 1740752400 WHCXVPNHFGSCGC-BBWFWOEESA-N 412.556 1.552 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740876422 RWISQKYCGQXXKC-MOPGFXCFSA-N 416.570 1.881 30 10 HDEE CC(C)COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741588943 ZNVHOOANYLXEKO-LJQANCHMSA-N 412.542 1.918 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1748747014 APXJNNYYRPNKLS-IRXDYDNUSA-N 413.526 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCCC1 1748826257 PUVHWUFCNHKZFD-ROUUACIJSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(C)C)N1CCOCC1 1748855973 NURJSOWZFCOKAH-OAQYLSRUSA-N 423.565 1.569 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749312406 KGZFGWGAANSPGK-QGZVFWFLSA-N 404.540 1.731 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1749487983 HOYUKTUMUSJOJQ-IBGZPJMESA-N 411.554 1.989 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC=C(C)CC1 1749657580 BJINTHCNRKMCEN-UHFFFAOYSA-N 405.466 1.379 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760140200 FPERCKATDGKAEV-UHFFFAOYSA-N 421.549 1.468 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(N(C)C)CCSC1 1760167768 BWQZDMLPJNNDFO-HXUWFJFHSA-N 423.550 1.428 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C)cc(OC)c1 1760205701 HYCMBBQQHWNSTL-GOSISDBHSA-N 412.515 1.618 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCNS(=O)(=O)CC)CC1 1760403012 CJGPSERGCZBZDK-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760446856 FNIWKISYZOLBDI-UHFFFAOYSA-N 419.551 1.831 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1760450495 MAMUVKCSEZFROH-SFHVURJKSA-N 413.526 1.881 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760522025 KGCAFZCETUJRGT-GOSISDBHSA-N 424.505 1.047 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1760522276 PHHIBGPCCDRVBE-GJZGRUSLSA-N 418.523 1.427 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2nc([C@H](C)OCC)no2)nnc1C(C)(C)C 1760528134 STEOMAZXCPZKSP-ZDUSSCGKSA-N 405.503 1.995 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1761362736 HPLUCLBSRXWFNC-PMPSAXMXSA-N 417.539 1.693 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1768458143 HFYBLIVVGXUOPM-DNVCBOLYSA-N 400.414 1.321 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1769977401 HTYGEOCIFJKADK-NXHRZFHOSA-N 407.515 1.794 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCC(C)CC1 1770049618 DVBSPNXODIJTGW-GUDVDZBRSA-N 420.558 1.851 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCC1=O 1770756491 GXEFKDJNZTUQHE-QGZVFWFLSA-N 413.526 1.762 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 1848959785 BUIGCKXMYSZQGB-QGZVFWFLSA-N 415.471 1.639 30 10 HDEE O=C(C[C@H]1CSc2nc3c(c(=O)n21)CCC3)NCC#CCN1CCCCCC1 1850274214 AIJHZWBGPCAILF-INIZCTEOSA-N 400.548 1.765 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccccc2C#N)CC1 1851284527 HQERNQMWAPZINZ-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE Cc1nc(C(=O)N2CC[C@@H](C)S(=O)(=O)CC2)c(C#N)c(C)c1Br 1851740161 BIFCPBKUUTXFJF-SECBINFHSA-N 400.298 1.982 30 10 HDEE CC(=O)N1CCN(CC(=O)Nc2ccc(C#N)cc2I)CC1 1851881895 RDKDBAGSMNWCBP-UHFFFAOYSA-N 412.231 1.265 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3ncc(C#N)cc3Br)CC2=O)CC1 1852275577 YRYJLZYICXIATQ-GFCCVEGCSA-N 406.284 1.597 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C(=O)C12CCCCC2 1853786020 QDIBPSBTRSRSLL-UHFFFAOYSA-N 411.568 1.608 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2noc3c2CCCC3)C1=O 1853828832 OWIDWQCKMLBPDR-HOTGVXAUSA-N 400.479 1.403 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CC(=O)c3ccc4c(c3)OCO4)CC2=O)cc1 1854230856 ABRARUIVPLMVJR-UHFFFAOYSA-N 405.410 1.383 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1=O 1854290151 FUFCDNJERCQNDO-GOSISDBHSA-N 408.437 1.439 30 10 HDEE CC(C)S(=O)(=O)N1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1854550966 USGDQAJBOVPKTN-SFHVURJKSA-N 418.519 1.045 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@@H]1C 1854751597 OGTTVIRMYZPPOF-PKOBYXMFSA-N 419.547 1.865 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CCCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885244 UFPUCLGWALZJPG-SJLPKXTDSA-N 416.501 1.761 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1854891616 WBZDGFGREDOLIW-INIZCTEOSA-N 419.503 1.693 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(Cc3ccn(C)c(=O)c3)C2)CC1=O 1855010890 UKASRICYGOLXBZ-MJGOQNOKSA-N 400.523 1.233 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 1855016353 WYPIOIGDDXSSMY-MSOLQXFVSA-N 421.538 1.895 30 10 HDEE C[C@H](Cn1cnc2ccccc21)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855039451 SLAMDGMOTNVXLH-QZTJIDSGSA-N 408.506 1.331 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccc(F)cc4)on3)C(=O)C2)C1 1855097491 GNHUXLPZWTXARY-QGZVFWFLSA-N 411.437 1.753 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cncc(N(C)C)c2)CCN1CC(=O)c1ccc(C#N)cc1 1855141128 DODIWVOUNVJOJG-HNNXBMFYSA-N 405.458 1.575 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1=O 1855267334 OZCKIKAHBZLWKX-INIZCTEOSA-N 417.487 1.023 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1856266106 FZCMQAFKTLTADA-IRXDYDNUSA-N 409.552 1.240 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](CN2CCC3(CC2)C[C@@H]3C#N)CC1=O 1857223270 FKYVERFUDNOTEO-HZPDHXFCSA-N 415.515 1.704 30 10 HDEE N#CCC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCOC2)CC1 1857375503 ZMINURZGAPAHDR-HNNXBMFYSA-N 417.487 1.453 30 10 HDEE Cc1noc(C)c1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857477754 QVBCUYFDLGFCGC-OAHLLOKOSA-N 409.446 1.700 30 10 HDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCC(N(C)C)CC1 1870523876 HCPQDRCZQWTGGY-QGZVFWFLSA-N 404.555 1.854 30 10 HDEE C=CCNC(=O)c1nc(C(=O)Nc2c(C)nc(N3CCN(C)CC3)nc2C)cs1 1889495332 PKIMKAVKNVMDCI-UHFFFAOYSA-N 415.523 1.470 30 10 HDEE COCCn1c(C(=O)NCCN2CCC(C#N)CC2)cc2c(=O)n3ccccc3nc21 1890293414 ZVZIRPKZWJUMGD-UHFFFAOYSA-N 422.489 1.261 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)c1 1890899525 TXAAWZKRPRXTMU-MSOLQXFVSA-N 412.490 1.598 30 10 HDEE C[C@@H](C#N)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1954224881 NJWGABCYCHUXJG-NSHDSACASA-N 406.505 1.236 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1959428557 SFADSHRALUYICU-ZIAGYGMSSA-N 412.487 1.498 30 10 HDEE CC1(C)OB(CCCN2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)OC1(C)C 1977841167 UROQUTSOYNNDNP-NWDGAFQWSA-N 407.242 1.323 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2010402101 MIGNBCMVPZBFKO-QDMKHBRRSA-N 422.331 1.766 30 10 HDEE C#CCN([C@@H]1CCOC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029384927 RCZWUNCIHUQDPU-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE C[C@H]1CC[C@@H](C=O)N(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2034577527 LHENEWQGUSXORN-GJZGRUSLSA-N 406.504 1.938 30 10 HDEE C#CC[C@@H]1COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2057296142 UKTRBIFINQXXJZ-KUHUBIRLSA-N 408.451 1.065 30 10 HDEE CC1(C)OB(c2cnc(N3CCOCCOCC3)c(Br)c2)OC1(C)C 2116143441 ACRLKQFNNWSUOZ-UHFFFAOYSA-N 413.121 1.997 30 10 HDEE N#Cc1c(NS(=O)(=O)N2CC(OCc3ccccc3)C2)sc2c1CCNC2 2161945772 ZJRYKOWXXANREM-UHFFFAOYSA-N 404.517 1.823 30 10 HDEE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174783408 BWQDTXWCMKNGNU-WMLDXEAASA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1ccc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)O 2212758602 NJMUHZMDSXFERK-ZDUSSCGKSA-N 408.260 1.738 30 10 HDEE CC1(C)OB(c2cscc2CN2CCC[C@@H](NS(C)(=O)=O)C2)OC1(C)C 2235516449 OQNMJBLWJQZEJL-CQSZACIVSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2243687365 WYQQGZJKPLEFGU-LDTOLXSISA-N 408.304 1.403 30 10 HDEE Cn1nc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247822171 CCFSDSPMINZTGG-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE CC1(C)OB(c2cc(N3CC(NC(=O)C(F)(F)F)C3)ccc2[N+](=O)[O-])OC1(C)C 2248027654 YWZGKYBNLBHCJI-UHFFFAOYSA-N 415.177 1.761 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258176456 DMSDNESAYLUPKN-WBVHZDCISA-N 410.492 1.984 30 10 HDEE C=C(C)CN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258178709 YQUVHJPMHXBXIN-KRWDZBQOSA-N 410.492 1.825 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C)CCNCC1 2282325254 BRDYAAUBGWVOHQ-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE C[C@H]1CSCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282331877 SSXUTXMWYILGMB-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE CC(C)[C@@H]1NCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353229 UIXLDGOPVYTPOI-DOMZBBRYSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CO)C2CCCC2)OC1(C)C 2282489923 IDVWXJYKJXLSTF-AWEZNQCLSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CCC[C@H]3O)ccc2Cl)OC1(C)C 2282495711 QEGYNXLONLTFMH-LSDHHAIUSA-N 401.721 1.831 30 10 HDEE Cc1nc(S(=O)(=O)NCC2SCCS2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282505142 ZIWLKRPANHYNHT-UHFFFAOYSA-N 419.403 1.112 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282611454 LHIJEJSCCIEERC-NSHDSACASA-N 402.347 1.338 30 10 HDEE COCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)COC1 2282828506 PIHGIWDMJFYILF-UHFFFAOYSA-N 403.331 1.049 30 10 HDEE CO[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282840165 LQRAOGIAKUXNJT-CYBMUJFWSA-N 404.363 1.533 30 10 HDEE CC[C@@](C)(COC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843445 NSDQIZSIMGQEEE-INIZCTEOSA-N 404.363 1.677 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282850608 QZGQCQPEDLFGRA-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSC[C@@H]3CCO)s2)OC1(C)C 2282859499 NDBYHDXMAOMSIG-LBPRGKRZSA-N 419.399 1.536 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)N=c2nc[nH]s2)OC1(C)C 2282872935 DMHYVZCGNKVMET-UHFFFAOYSA-N 403.241 1.338 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(F)(C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284405369 JWODPUZQHFKOFV-UHFFFAOYSA-N 405.278 1.153 30 10 HDEE CC1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2284417202 HQHROPLMZROQEN-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE C=CCN1C(=O)C(=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C(=O)NC1=S 2296193903 DLIDSTZNVVYSBJ-INIZCTEOSA-N 412.471 1.155 30 10 HDEE CN(C)c1ncc(C=Nn2cnnc2SCC(=O)Nc2ccc(F)cc2)cn1 2321862476 ZYTCMRHRHVWDTF-UHFFFAOYSA-N 400.443 1.886 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]3CO4)cc2Cl)OC1(C)C 2334266741 QKDAEKKXTJXGIN-UWVGGRQHSA-N 405.734 1.863 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)[C@@H](O)[C@@H]3CF)sc2Cl)OC1(C)C 2359279588 QTRGTPXJQKRYLZ-UMNHJUIQSA-N 405.684 1.216 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@H](O)c1cn(C)nc1I 2363525866 ITDBCOQRONOQTH-CMPLNLGQSA-N 402.261 1.544 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365213942 XEESAVFTMRXEOJ-GJRWTSMGSA-N 400.541 1.291 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367784995 DAGCGTJRMOGKDB-SUMWQHHRSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@H](CC(N)=O)C1 2369319384 YIOMDXRLRHQAPQ-LLVKDONJSA-N 414.509 1.105 30 10 HDEE CN[C@@H](C#C[C@@H](OC)C1CCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369575932 QNESHUVEZRCGRH-YESZJQIVSA-N 402.557 1.721 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 56099464 RNWDEQXAVVIFJA-MRXNPFEDSA-N 401.492 1.340 30 10 HDEE CC(C)[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 111223721 JVVQZBAIPQLPNE-PZJWPPBQSA-N 400.523 1.899 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@@H]1CO)OC3=O 257500151 OCELUFZNLBUKGF-OUMAAJIKSA-N 406.475 1.402 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C[C@@H](C)O2 435267070 LLWITEZETHEGAD-AXHMDWHKSA-N 421.519 1.410 30 10 HDEE N#CCc1ccc(OCc2ccccc2NC(=O)C(=O)N2CC(n3ccnn3)C2)cc1 441294228 NRKYQCBCWZUAEK-UHFFFAOYSA-N 416.441 1.945 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CC1 443328164 OVKREFYPIGLUGH-UHFFFAOYSA-N 400.870 2.364 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460580531 WXCAKRKYBSCSSX-NVXWUHKLSA-N 410.482 1.319 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CSc2nnnn2CC(F)(F)F)cn1 461314403 XWRRJIXWPLDZSI-UHFFFAOYSA-N 409.357 1.419 30 10 HDEE CCOC(=O)c1cnc(N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)s1 464776262 TUCRXELUPGBIIG-UHFFFAOYSA-N 413.503 1.630 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)cc1 465567655 OIBHZNYHNQBUBB-UHFFFAOYSA-N 413.478 1.881 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 467287130 DQJKYWYOKPQTTR-XLSPSMHOSA-N 416.547 1.730 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CN3C(=O)CSc4ccccc43)CC2)c1C#N 471705061 HQIPMQRBXRTDHO-UHFFFAOYSA-N 410.503 1.388 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(Br)c1 471931968 FJWOSPSRWLWSTK-AWEZNQCLSA-N 403.254 1.539 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)n1 479043131 LTDJXPJJBUMKDY-LJQANCHMSA-N 422.464 1.725 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1C#N 489507116 HZOMXEABVPUBGA-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 505003743 XQWPSRNRFIDVBU-MRXNPFEDSA-N 419.503 1.730 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)nn1 507280688 LTTUOXQYQAPEPM-HXUWFJFHSA-N 417.466 1.173 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)CC2)nc1 517654033 GWWHYAMQIWRITM-OAHLLOKOSA-N 424.417 1.408 30 10 HDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O 518417809 KSVKGRCYYZYBIH-LJQANCHMSA-N 411.483 1.737 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)C1=O 535659225 OKFMJVGFMMZWCX-GOEBONIOSA-N 404.854 1.178 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C3(C#N)CC3)cc2)c1 537484620 RKXJIQYIBFEKTJ-UHFFFAOYSA-N 413.455 1.945 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)c1 540068930 KHCGYBGNROGNIN-SFHVURJKSA-N 418.519 1.715 30 10 HDEE CN(C)CCN1C[C@@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1=O 541141301 WRODJRNXBSTJNP-AWEZNQCLSA-N 400.870 1.746 30 10 HDEE COC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546893008 CSPHXWZZWVABLY-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CCn1c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nnc1C(C)(C)C 549392090 AJASJZGSACMUNG-UHFFFAOYSA-N 402.524 1.978 30 10 HDEE C=CCN1C(=O)N(C[C@H]2CCCCN2S(C)(=O)=O)C(=O)[C@H]1Cc1ccccc1 553156403 FKNCZENYMMETCP-QZTJIDSGSA-N 405.520 1.862 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)c2cnn(C(C)(C)C)c2)c(C#N)cn1CCOC 553807424 MTSUCOPNVGXAPJ-UHFFFAOYSA-N 415.450 1.956 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@@](COC)(C(=O)OCC)C1 570809033 HBQPZSAIHSWIEE-OXQOHEQNSA-N 408.499 1.738 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 577909562 TXPGMEUEYFPDNX-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)/C=C/c2ccccc2)C1 585824691 XIAMBCNGGIYGGC-NFVPIQPQSA-N 417.465 1.802 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(F)cc1 603825951 AUXCLNSKHJKDPE-UHFFFAOYSA-N 413.861 1.941 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(OC)c2)CC1 607056404 QZMKPAYDISSFTM-UHFFFAOYSA-N 415.494 1.274 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 611552142 QGPLAEYABZGADC-DNVCBOLYSA-N 401.486 1.133 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 619103976 AECOGEOSTWIVIP-UHFFFAOYSA-N 409.446 1.049 30 10 HDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2F)c1=O 623010639 OBYSOKRQXRXDSS-UHFFFAOYSA-N 413.474 1.009 30 10 HDEE CCOc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)cc1 727416058 FQRHMVXKSRTGBW-UHFFFAOYSA-N 421.478 1.672 30 10 HDEE C#CCN(C(=O)c1cc(Br)c2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 729335155 IYAJKFOLSLSMBX-GFCCVEGCSA-N 414.277 1.483 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(OC)c(OC)c2)cc1 730225853 HNQBZGSSODIERE-OAHLLOKOSA-N 416.499 1.976 30 10 HDEE C=C(COC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(=O)OCC 734027531 YFSQBZCZONPJCF-UHFFFAOYSA-N 406.254 1.390 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CNC(=O)c2ccccn2)n1 740085724 OWMZESTWLKHZMV-UHFFFAOYSA-N 415.504 1.564 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)Cn1[nH]cc2c(=O)ncnc1-2 769722154 RKYDDQBHAKJMBH-UHFFFAOYSA-N 404.180 1.320 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC2(CCO)CCOCC2)c1 772420331 IAVKPTHWENCTQP-XLNRJJMWSA-N 424.523 1.553 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)C[C@@]3(CCc4ccccc43)C2=O)CC1 781136303 BDILUHUMFYTFMB-HSZRJFAPSA-N 401.470 1.676 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@@](F)(C#N)C2)c(NS(=O)(=O)C(F)F)c1 786137044 ZOKGKKJBSFTDNU-CYBMUJFWSA-N 413.399 1.286 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(C3CCCCC3)C2=O)n1 789223866 VOCVUTFBSGXFOK-FQEVSTJZSA-N 415.538 1.998 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)/C(C)=C/CC)n1 790108708 BRGKXDZFMYDNKR-ULUBDBHXSA-N 404.536 1.749 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)n1 790110353 RHBIESRHHJOKPY-NRFANRHFSA-N 419.485 1.341 30 10 HDEE C[C@H](CC(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 794311638 FCQPMNGYAAHGMP-VLIAUNLRSA-N 421.519 1.300 30 10 HDEE Cn1cc(/C=C\C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(=O)n(C)c1=O 803556908 UABIZCBDTKMFCG-XQRVVYSFSA-N 412.421 1.178 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@]4(CCCOC4)C3)ccc2c1=O 804131122 BUUIFMNRUQJGBL-FQEVSTJZSA-N 401.488 1.893 30 10 HDEE C[C@@H](O)CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](C)CO 807247992 HWDJTJWXQSCXMT-ZIAGYGMSSA-N 401.488 1.493 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@](C)(C(N)=O)C1 809926754 RKCBEAPSAYHTAM-VLIAUNLRSA-N 420.514 1.474 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccco3)n2C[C@H]2CCCO2)CC1 812271909 XYQHJZWXKDLAOQ-LJQANCHMSA-N 411.506 1.801 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)C1=O 858032102 RJVYSZQVONXXAQ-INIZCTEOSA-N 412.446 1.306 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncc3c(c2C#N)COCC3)ccc1F 1129874112 QLXYGRZHSSCPIQ-UHFFFAOYSA-N 416.434 1.882 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)Nc3nn(C)c(C)c3C#N)cc2[N+](=O)[O-])CC1 1130178988 ZFXTXMGFKBHUCU-UHFFFAOYSA-N 411.422 1.429 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1137607221 BGOUNSDOFHXTMM-HVEKOLDVSA-N 413.540 1.666 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1OC 1141330550 SIOOBOZZAANAPU-UHFFFAOYSA-N 410.430 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)C#Cc2ccc3c(c2)OCO3)CC1 1142052952 BBUUSTVKIHYTPU-UHFFFAOYSA-N 402.447 1.645 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c(=O)n(C)c1=O 1142543870 GSNGQLSLJIFXGD-WTKPLQERSA-N 403.398 1.795 30 10 HDEE CC(C)C[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1142687242 MRUOCBKLVLJELX-INIZCTEOSA-N 423.535 1.957 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 1144921830 DBXKNDRTCAWIAI-BEFAXECRSA-N 424.519 1.041 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1147044914 MFPXJMWSOVPGIR-UAGQMJEPSA-N 409.508 1.093 30 10 HDEE C=CCn1cc(C(=O)N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)nn1 1148307078 HYDGQAUCFIMPIF-HXUWFJFHSA-N 413.482 1.722 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 1151844042 JFRVMGNNCDXKEW-SQNIBIBYSA-N 401.463 1.347 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC 1161364234 ALCGUUQVUBXEIV-GJZGRUSLSA-N 401.419 1.135 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)C3CCC3)nnc12 1161636317 SIUVLVAQAPMDDE-HNNXBMFYSA-N 413.503 1.600 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CC1 1171765803 WEKJVCHYYGBDAV-SFHVURJKSA-N 404.555 1.676 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(NC(=O)CN2CCO[C@@](C)(C#N)C2)ccc1C 1176577570 DMKGGURPMQUVSU-IBGZPJMESA-N 408.524 1.579 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC(C)(F)F)CC2)cc1S(=O)(=O)NCC#N 1179273212 ALHRZCNBAPJPHU-UHFFFAOYSA-N 400.451 1.210 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3c4c(cccc24)CC3)CC1 1187354263 WTOBZKVGYGLERO-UHFFFAOYSA-N 411.527 1.384 30 10 HDEE C[C@H]1CCC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1253205568 JYTZWQYJPVPETB-RDJZCZTQSA-N 406.508 1.532 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1286546148 GRKYGUVKPLCNSN-CVEARBPZSA-N 420.514 1.286 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOC(F)F)CC1 1286651775 LDWRROWBIMDYLM-GFCCVEGCSA-N 407.487 1.920 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1286710490 YMZSSKGBKTUFHV-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1286784402 GNTQWYWCSRZYAN-CZUORRHYSA-N 414.897 1.616 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@](C)=O)CC2)CCOC1 1288303320 VXLBJPSVQGGULO-WRONEBCDSA-N 421.567 1.970 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)n1 1289910154 VDOZVKAOBFBVNB-CQSZACIVSA-N 412.475 1.785 30 10 HDEE CCNC(=O)C1(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CCC1 1296263647 CRWXKROCVJQRNK-OAHLLOKOSA-N 401.515 1.445 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCOCC1 1298325244 HIUXGZZBBFTWNS-UHFFFAOYSA-N 424.505 1.564 30 10 HDEE Cn1cc([C@H](NC(=O)Cc2ccc(Br)cc2C#N)c2ncon2)cn1 1298582378 YSNIGBAQSHIHPJ-HNNXBMFYSA-N 401.224 1.886 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1298660341 LZUIOHCXOZWMKG-CRAIPNDOSA-N 417.510 1.466 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300416971 NBITXPQZGBJISJ-UHFFFAOYSA-N 407.565 1.816 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1300499616 VPDSRJMHHDWCKH-INIZCTEOSA-N 418.519 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1C 1300557486 USUJFXLKLADBDA-INIZCTEOSA-N 400.508 1.103 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncc(F)cn2)CC1 1300950339 AHANEJUDHMAFDN-AWEZNQCLSA-N 421.502 1.012 30 10 HDEE C=CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301435727 OKLDPQFILTWLGW-RHSMWYFYSA-N 402.451 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)C1 1301536740 ZMQJLWXOVBYENB-IAGOWNOFSA-N 405.499 1.101 30 10 HDEE COCCCN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1301591157 VEOMOHLZMZBDOS-HTXNQAPBSA-N 411.466 1.339 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1301966910 ZWQGHLCIRDUULV-ZDUSSCGKSA-N 415.498 1.906 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1302439294 FQOQITLVQFBBQI-ZDUSSCGKSA-N 405.480 1.308 30 10 HDEE COC(=O)c1ccc(Br)c(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1308101065 VJBYJDJQTZRPAJ-BBRMVZONSA-N 413.293 1.606 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N(CCN2CCOCC2)[C@@H]2CCSC2)c(F)c1 1309667637 FAPQGTXAFICCEH-CQSZACIVSA-N 417.503 1.665 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1309797917 RLNRHYKUTHFXLZ-UHFFFAOYSA-N 415.556 1.413 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1310161896 KMIFGWYJPSATFG-OTUOZYHDSA-N 407.496 1.242 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)SC 1316207062 SYVZNAZRMLSJKE-INMHGKMJSA-N 408.572 1.930 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)CC3(C#N)CCCCC3)c2)NC(=O)NC1=O 1320501031 VCGPNLDLOHLELB-GOSISDBHSA-N 404.492 1.635 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(c4cccnn4)CC3)CC2=O)cc1Cl 1357889937 QOXCDVMUNKCDFV-OAHLLOKOSA-N 410.865 1.703 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@@H]1CCS(=O)(=O)C1 1358964295 XBQQDPVGTWJQLT-IEBWSBKVSA-N 419.595 1.588 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)CC1 1359179397 UMVLCMAZHUVMGT-AWEZNQCLSA-N 408.553 1.791 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1359261879 YRSOTKLUIMLQHQ-UHFFFAOYSA-N 402.524 1.904 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1359281676 GXNJVHRDJCOEFK-DLBZAZTESA-N 423.583 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)N(C)C)C1 1359317200 DONBZKBKVRGCRY-HNNXBMFYSA-N 406.512 1.013 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CCOC)C1 1359343463 UBTOIOBYCNSGLL-HOTGVXAUSA-N 414.597 1.962 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccnn1-c1ccccc1 1439359267 KOZXGXYXBBVZQI-UHFFFAOYSA-N 409.471 1.270 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 1447208763 SCBZHYBHZGMOFI-DVSFIDLUSA-N 412.446 1.139 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1cc[nH]n1 1452525538 ISPCFXXZKPKVAX-PWSUYJOCSA-N 406.361 1.310 30 10 HDEE N#CC[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(F)(F)F 1455982579 GOYKATCZLVHDSC-BYPYZUCNSA-N 404.972 1.764 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCO[C@@](C)(C#N)C3)cnn2c1 1456488771 UFXPISMHHLEEPD-FQEVSTJZSA-N 414.466 1.551 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1457043638 SCZLWWBMQDNNGR-QGZVFWFLSA-N 416.478 1.382 30 10 HDEE COC(=O)c1cc(C2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)no1 1460681114 XRZGDDBTAZXSRQ-GOSISDBHSA-N 417.510 1.333 30 10 HDEE C=CCOCCCNC(=O)c1ccc(I)cc1-n1cnnn1 1461637205 RTKCDYUNMRWNAO-UHFFFAOYSA-N 413.219 1.589 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1463652283 AYFUFUKDTLRGCC-MRXNPFEDSA-N 411.499 1.312 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(OC)cc1CC(=O)OC)C(=O)OCC 1464254181 GFTQJYIAXZJEQJ-AWEZNQCLSA-N 419.883 1.763 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464926659 QUINIRXFVCXOST-YVLFLNCKSA-N 418.494 1.568 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C#N 1468279672 HNWKDEZLIGUSTO-KRWDZBQOSA-N 414.506 1.855 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)CCc1ccc(C#N)cc1 1469381797 GKSALUFXLWGKAB-UHFFFAOYSA-N 416.459 1.836 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(C)(=O)=O 1507529174 QNEBJLPWJBYZMQ-HNNXBMFYSA-N 414.535 1.834 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1507688942 DDJJEDLGGRSALX-GFCCVEGCSA-N 422.415 1.610 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CC=CCO2)CC1 1507739771 KMSGNHPIWPONFC-FQEVSTJZSA-N 420.517 1.575 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507749331 YGSTXOQCBKPVMZ-HNNXBMFYSA-N 420.560 1.943 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1508032783 HQQSSXAUTBLTIX-QGZVFWFLSA-N 415.494 1.469 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](COC)C1 1508083736 BLENOBCBXHQFFG-INIZCTEOSA-N 409.494 1.292 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC(CO)CC1 1508096903 CTDZNOZJSMXDKT-SJLPKXTDSA-N 405.543 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)c1ccco1 1508132369 XDJMEKJPHFOKNY-CQSZACIVSA-N 409.512 1.808 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1508152513 NAXVHDHGDWLGDB-RHSMWYFYSA-N 415.585 1.424 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1noc(CC)n1 1516539841 QJRKAOPKVRRQSJ-UHFFFAOYSA-N 424.465 1.538 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@H]2CCCO2)c1 1521083417 WDPXOFDXKQGYAR-GOSISDBHSA-N 410.478 1.339 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCSC[C@@H]2C(=O)OC)ccc1F 1537783058 WAJSPXOUNQMJMR-CYBMUJFWSA-N 402.469 1.021 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1538973665 PLPBGGDJLDSYRB-LSDHHAIUSA-N 408.572 1.221 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1539011642 GLTLSOMELXLZQN-OAHLLOKOSA-N 405.499 1.501 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539221074 YEJJLUOKGCWLFA-XLIONFOSSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)N1CCCCC1 1539232419 BSKVTMBHEDUVQM-UHFFFAOYSA-N 412.538 1.672 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1539350816 ZSQMLSQTQDIIAJ-UHFFFAOYSA-N 421.523 1.313 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2nnc(CC)s2)CC1 1539453098 CKBOMJCQAVEMGV-UHFFFAOYSA-N 408.535 1.481 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCOCC2(C)C)C1 1540889894 VTZXRXSSRUWUNF-KRWDZBQOSA-N 413.526 1.627 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541800513 BDFRACURRRBTAL-CVEARBPZSA-N 402.524 1.965 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CN3CCOCC3)CC2)c1 1542598872 XBMGTEMQYIHINJ-UHFFFAOYSA-N 404.532 1.668 30 10 HDEE CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555934759 SHUSOBVJGLSXEE-GOEBONIOSA-N 424.596 1.110 30 10 HDEE CC1(C)[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@H]1N1CCOCC1 1557316784 PXVMVDSKLJXGCA-ROUUACIJSA-N 420.535 1.108 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1561866674 QQWZTIMJIZTCGO-LJQANCHMSA-N 420.531 1.825 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1 1564416898 GUHMJSCBVIBRBQ-RDTXWAMCSA-N 401.529 1.676 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCc2ccnc(-n3cncn3)c2)CC1 1565203308 JTPNQCOXCQFANE-UHFFFAOYSA-N 402.462 1.956 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC2(n3cc(Br)cn3)CC2)CC1 1565315129 ZQGWHGKCOZPTEE-UHFFFAOYSA-N 410.272 1.623 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 1583248106 ZXEUBWZIRGQUKZ-XLIONFOSSA-N 424.519 1.520 30 10 HDEE Cc1nsc(N(C)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1C#N 1584665319 LWJHDCXAHUPISL-LBPRGKRZSA-N 407.496 1.754 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1587998782 JSFDLEIYTOLFIW-UHFFFAOYSA-N 404.474 1.859 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CN(C(=O)OC(C)(C)C)C1 1588024602 HQPAVQHCQYARSB-IRXDYDNUSA-N 419.526 1.938 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1588055013 RMJJHYABRUPPIN-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)N2CCCC2)CC1 1588848496 IBVVVDZGPSERBM-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCC(C)(C)O)CC1 1588955506 ZCSLZMREJDTFPD-UHFFFAOYSA-N 410.522 1.391 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nnn(C)n2)CC1 1594218845 VEDUJVWYDWIKPW-UHFFFAOYSA-N 410.482 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1595766192 MUFQVNPNXPIHEJ-IBGZPJMESA-N 419.482 1.996 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)C1 1595790194 IYYPGLMDLYDQMJ-INIZCTEOSA-N 402.520 1.061 30 10 HDEE CSCC[C@H](C(=O)NCc1cncc(C#N)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1596855931 MLIVUKPVCGUAMR-BRWVUGGUSA-N 400.504 1.866 30 10 HDEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccc(Cl)cc1 1596961162 ONDNYWMDNFGMKE-SZMVWBNQSA-N 400.866 1.853 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 1597553697 BYXQHAKWLUSZBX-SFHVURJKSA-N 400.397 1.789 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1611130074 ZXHRIUHQXOGQNK-BTYIYWSLSA-N 414.462 1.792 30 10 HDEE CCOCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1617139134 OZAJIUXZMJPDHN-QBHGPPCGSA-N 418.498 1.519 30 10 HDEE Cn1ccc(Nc2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1618429302 PILBUXYRWHNDQL-ZPHPHTNESA-N 404.434 1.949 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)CC1 1622519434 AXTWZRMGEUOPLF-UMSPYCQHSA-N 413.297 1.971 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1623099386 DQUSORCWGMYRLN-NDEPHWFRSA-N 407.492 1.892 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)cc(N)c2N)n1 1626715320 XKVRHPMUTXHHBC-UHFFFAOYSA-N 406.284 1.732 30 10 HDEE Cc1nc(C(=O)N(C)CC(F)(F)C(F)(F)F)nn1-c1n[nH]c(C(F)(F)F)n1 1627556557 XDLVPEOLMRYTGZ-UHFFFAOYSA-N 407.225 1.982 30 10 HDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1628350767 LXPDXLRCZIEWMP-UHFFFAOYSA-N 404.319 1.439 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1630546305 GMRQHTOZUVNOJL-QAPCUYQASA-N 417.506 1.929 30 10 HDEE Cc1cc(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)nn1CCC#N 1633071954 YRTREXUBGMXGDP-OAHLLOKOSA-N 418.498 1.807 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(CO)C[C@H](OCC)C2(C)C)s1 1633086526 DULUGTQCNBALLT-KSSFIOAISA-N 416.565 1.437 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnc3c(c2)NC(=O)CN3C)C1=O 1635568420 QSXLZWPJOYRNOY-HXUWFJFHSA-N 416.482 1.786 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC1CCN(c2ccncc2)CC1 1637466388 DIYALOYBEJIUDX-UHFFFAOYSA-N 413.503 1.295 30 10 HDEE C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1638725357 FCWUPVZIKPCSJU-QGZVFWFLSA-N 407.555 1.941 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)C1 1640218018 BSDBZUVEDQFKTF-IBGZPJMESA-N 407.430 1.934 30 10 HDEE C[C@@H](CC(=O)NOCCOc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1640501624 WUJHAGRNBXFDLY-AWEZNQCLSA-N 403.460 1.631 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCNC3=O)s1 1641285328 NRPBIKFVDVAJBF-UHFFFAOYSA-N 405.501 1.680 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 1641582699 JQRKKAUCXLHACQ-AOMKIAJQSA-N 413.474 1.989 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)c1 1644326084 KDAIYAZMPDVCOR-UHFFFAOYSA-N 411.506 1.122 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1645460036 KBQCTVCFOFSFSH-UHFFFAOYSA-N 421.457 1.460 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(F)cc(Br)c3N)C[C@H]1CS(=O)(=O)C2 1645997947 UZCJYRUEEJIUTG-RMLUDKJBSA-N 402.245 1.181 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)n1 1648471924 DGUXYJAIPJXVTA-UHFFFAOYSA-N 420.214 1.310 30 10 HDEE Cn1c(SCC(=O)NCc2ccc(C#N)cc2)nc2cc(S(N)(=O)=O)ccc21 1651632679 XAMXYIQCGFHPCM-UHFFFAOYSA-N 415.500 1.501 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](c4ncccn4)C3)C2=O)cc1 1652591582 XQKGLUMQWNQQPL-NVXWUHKLSA-N 404.430 1.569 30 10 HDEE CN(C[C@H](O)CC1(C#N)CCOCC1)[C@H](C(N)=O)c1cccc(Br)c1 1653074801 OAHIKNHEGFTLOA-CVEARBPZSA-N 410.312 1.979 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)c3cccc4c3OCCCO4)CC2)c1 1653515244 HILZNTQFBMABJI-UHFFFAOYSA-N 400.460 1.625 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)OC(C)(C)C)C[C@H]2CO)c1 1654760148 VYBKJFQBLBXGFE-KRWDZBQOSA-N 416.478 1.230 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1662444471 UFABSICLKSFSNY-ZDUSSCGKSA-N 402.266 1.649 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cn(C)nc1Br)C(=O)OCC 1670888144 YZACYPMCLPUUFQ-MRVPVSSYSA-N 400.682 1.535 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1674009448 IFQIXSCWMFROJT-AWEZNQCLSA-N 401.496 1.820 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1674234243 XGXLROHLPPKDTC-QGZVFWFLSA-N 408.524 1.173 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(C)C[C@H](C(=O)OC)C2)cc(OC)c1OC 1676274750 GOUASGRYDHDFDL-KRWDZBQOSA-N 405.495 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)NCCC#N)CC[C@@H]32)CC1 1682123224 ZZTKGGAPACUIMD-HOTGVXAUSA-N 420.514 1.477 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ncc(I)cn2)CC1)C(C)C 1683074265 NTMACQCGYRGDDH-CYBMUJFWSA-N 413.263 1.571 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(F)cc1 1683664522 PZONPVRLZBDYSU-ROUUACIJSA-N 409.483 1.336 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1684304894 UIBVSNQVSBHZBH-HZPDHXFCSA-N 423.510 1.466 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1685688582 PQUFANUWFVKFCG-SWLSCSKDSA-N 414.325 1.704 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCCn3cc(Br)ccc3=O)CC2)C1 1686631673 DBBPJUCJRICYLJ-UHFFFAOYSA-N 410.268 1.658 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1689831614 NZLRZWKDPSMGFV-FXAWDEMLSA-N 407.584 1.825 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1689923540 WCDNKLDLUMPRSZ-UHFFFAOYSA-N 415.505 1.994 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1689988910 YNRNIFCNUNRMEL-HOTGVXAUSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCCO 1690018152 VUANODICRVIBNA-UHFFFAOYSA-N 407.522 1.688 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1csc([C@@H](C)OC)n1 1690099635 FZSQHEMLLXXZAD-CQSZACIVSA-N 415.523 1.977 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCn2cncn2)CC1 1690113601 OHOUEFYFPFSVBL-HXUWFJFHSA-N 404.522 1.867 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(C)CC(F)(F)F)CC1 1690148878 YNJJGMGZNPAYPC-UHFFFAOYSA-N 400.449 1.300 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1690711893 KESQMKVLMBGLSZ-SFHVURJKSA-N 410.478 1.598 30 10 HDEE CC(C)(O)c1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1691350872 PWFAQCWRLRPYMI-SFHVURJKSA-N 424.505 1.519 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1O 1693871030 XPWWVAQLGHGIAP-HLIPFELVSA-N 410.522 1.745 30 10 HDEE CN(CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)CC(F)(F)F 1696818600 FFRUFDDEOPSQRZ-INIZCTEOSA-N 417.411 1.337 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1698015613 IAHJRZYREDJGTG-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N(C)C 1698238199 JSVGXPULAXCHON-HKUYNNGSSA-N 412.494 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1705500011 DPFJXPYXPAGIMO-OALUTQOASA-N 415.586 1.132 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@]2(C)CN(C3CC3)C2=O)c1 1705507179 UMGOJMIKWUJXLC-QHCPKHFHSA-N 420.517 1.908 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1705547957 VSZWFJKFNZEJLS-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)OC)CC1 1705647370 CWPQKMJRHKTGNY-KRWDZBQOSA-N 403.527 1.563 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2cccnn2)CC1 1705708716 GIBGSUHIZMBJEV-FXAWDEMLSA-N 413.526 1.912 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(CC)CCS(C)(=O)=O 1705726353 HJYLUYBZIAZRKW-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCOC1 1705733355 MXFVHHZUMLKNJP-KRWDZBQOSA-N 424.509 1.986 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1705875450 SQPSRPIRRXXOHG-UHFFFAOYSA-N 402.524 1.478 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCCCCC[C@@H]21 1705890832 LDKRYBLWTWNWTC-IKGGRYGDSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705899642 AUKAWWIZRCQPLD-UHFFFAOYSA-N 409.494 1.137 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCOC2(CCOCC2)C1 1705936958 CVIGUHPWFHFLSQ-UHFFFAOYSA-N 410.540 1.217 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1711386536 NWGOLDKEUSNTKN-QGZVFWFLSA-N 418.505 1.848 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnc(C)s1 1712648136 QZKPOIJLVJSLRX-DZKIICNBSA-N 404.496 1.544 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1nnc2n1CCCCC2 1722274127 CKBDQWBNCATCKU-INIZCTEOSA-N 410.526 1.533 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1 1722383321 NRTXLCUKMSOMOK-FQEVSTJZSA-N 405.502 1.983 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1722569358 XQCGLZJNYFMRHS-KRWDZBQOSA-N 416.526 1.052 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1)C1CC1 1722651635 WVOLNSYRQFWMHO-INIZCTEOSA-N 422.511 1.111 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCNC(=O)[C@@H]1CC 1722695840 RJGCLQRXLDFYCA-ZDUSSCGKSA-N 403.874 1.011 30 10 HDEE C=CCNC(=O)Cn1c(N2CCc3ccccc3C2)nnc1[C@]1(OCC)CCOC1 1722703968 MLMFTYNCVPNQFC-QFIPXVFZSA-N 411.506 1.795 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCO[C@@H]2CCOC2)C1 1731184000 XRJQIJCFTATICS-XLIONFOSSA-N 400.458 1.901 30 10 HDEE C=CCC(CC=C)C(=O)N1CCC[C@H](N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1740024191 PNSWBJRDILTFDJ-ZJKGHYPUSA-N 402.535 1.990 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1740622589 FAZSAHWQQSENKK-SFHVURJKSA-N 416.551 1.653 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1 1740645400 FIHVYDPCGYDDPP-INIZCTEOSA-N 415.519 1.408 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC 1740646697 INRZBHFIJBGKKS-UHFFFAOYSA-N 417.311 1.645 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740961758 YRFXQVZQZWWVDL-QGZVFWFLSA-N 417.535 1.103 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCS1 1742011994 GUSZJYJXJZNRTJ-JJRVBVJISA-N 411.553 1.195 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1748640387 UKJDIGJBDUUHOQ-HOTGVXAUSA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1748803308 RLWSMVFHTCBWHO-GASCZTMLSA-N 404.515 1.597 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC2CCOCC2)CC1 1748994172 BWFLTERZWIIVFB-UHFFFAOYSA-N 411.554 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCCCC)CC1 1749008972 JWWVZMQKQXOKJW-UHFFFAOYSA-N 411.510 1.518 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1749147973 VOUGGAYCDOZPAH-QFBILLFUSA-N 412.556 1.767 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749253047 XJMHYTRYHPMSSL-UONOGXRCSA-N 421.951 1.225 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N(C)CCNS(C)(=O)=O 1749276669 PGWAKGJPDAMYMD-UHFFFAOYSA-N 404.949 1.372 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1749487599 FMEJVPWVHLNYMW-LBPRGKRZSA-N 410.569 2.000 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1749677367 XFLGYAFQKLPSJN-MRXNPFEDSA-N 418.542 1.884 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)C(C)(C)C)C1 1749704789 BSGCMWBNKPHRCV-INIZCTEOSA-N 401.515 1.622 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1749738418 MMYFWKSUCMPWSB-DLBZAZTESA-N 410.540 1.216 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760103649 JSCPTTLJTGOECC-APFMSCDFSA-N 415.457 1.801 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760136295 TYIHZPFSOCNQMF-GOSISDBHSA-N 421.549 1.933 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC(C)C 1760176519 NUSKOKAWZLFFJG-UHFFFAOYSA-N 414.535 1.678 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(N)=O)c1 1760218604 JVCISITVWKPICV-GOSISDBHSA-N 407.474 1.157 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 1760453308 RZGKPTXTWOKCEZ-BBTUJRGHSA-N 422.526 1.591 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC(C)(C)C)C1 1760541508 DALJWDQMUYFNNR-LSDHHAIUSA-N 404.515 1.315 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCC)C1 1760542925 OMMIMXCREQBGOT-BZSNNMDCSA-N 402.543 1.885 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N(C)CC)C1 1760546591 RHWCHFLHUPNPDA-INIZCTEOSA-N 404.540 1.893 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1760548185 ZXMGPNVNOSQSSM-IXDOHACOSA-N 410.540 1.736 30 10 HDEE CCC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1765628845 VEKTVBJBWANQBD-ZFWWWQNUSA-N 422.511 1.407 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)COCCO1 1767088880 ZMXXTZFCPLOHOQ-DYESRHJHSA-N 410.478 1.543 30 10 HDEE COc1ccccc1Cc1nnc(N2CCC(C#N)CC2)n1CCCn1cnnn1 1768916076 PRPSRGRVJJSZNA-UHFFFAOYSA-N 407.482 1.694 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1771273477 RZATUCVLCYUNDW-UHFFFAOYSA-N 414.466 1.368 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)[C@@H]1CCN(C)C1=O 1849165136 CHXMLDRYFYSXHM-FUHWJXTLSA-N 405.520 1.333 30 10 HDEE N#Cc1ccc(OCc2cccc(COC(=O)CN3CCNS3(=O)=O)c2)cc1 1850523048 KIFBWMMEVKKOHD-UHFFFAOYSA-N 401.444 1.330 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2cccc(C)c2)CC1 1850857161 RFIZCXNPMLPUEB-GOSISDBHSA-N 411.593 1.725 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@H]2CCn3cnnc3C2)cc1 1851516542 XKCJXOTWQIMNCD-PKOBYXMFSA-N 411.462 1.035 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3cncc(I)c3)CO2)nc1 1851864755 AHTIAWTUDARFPV-ZDUSSCGKSA-N 422.182 1.930 30 10 HDEE CS(=O)(=O)N1CCN(c2cccc(OCC(=O)Nc3ccccc3C#N)c2)CC1 1852060008 QWSGCALFOUNYDT-UHFFFAOYSA-N 414.487 1.657 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1C 1852305467 YHYVCVRZTWARHN-HNNXBMFYSA-N 401.492 1.971 30 10 HDEE N#CCCN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2)CC1 1852410240 JDNXKSYVJUNUBL-UHFFFAOYSA-N 412.515 1.940 30 10 HDEE C#CCN(C)CC(C)(C)C(=O)NCc1c(C(F)(F)F)nn(C)c1N1CCOCC1 1852500432 MTCSMPSUFRNJGV-UHFFFAOYSA-N 415.460 1.483 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)CCCS(=O)(=O)c3ccccc3)CO2)nc1 1852828913 JELQTMXBNFOVKI-MRXNPFEDSA-N 401.444 1.871 30 10 HDEE Cc1cc(N(C)C(=O)c2cnc3c(C#N)c(C)nn3c2C)nc(N2CCOCC2)n1 1852894071 KOHIQECPIYHFCC-UHFFFAOYSA-N 406.450 1.429 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCn2cnc3ccccc32)C1=O 1854282441 IRWXSNKWABDORS-OALUTQOASA-N 409.490 1.273 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCN([C@H]4CCN([C@H](C)CCC#N)C4)CC3=O)n2c1 1854967122 JVFBPCRLORAXLC-MSOLQXFVSA-N 408.506 1.694 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)nn1C(C)C 1854997537 BDFSJEREQFSHQT-SJLPKXTDSA-N 400.527 1.823 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)c3cnc4scc(C)n4c3=O)C2)CC1 1855007930 SJRRSHVICGNOFR-OAHLLOKOSA-N 400.504 1.951 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccn3ccnc23)CCN1CCOc1ccc(C#N)cc1 1855908769 RHKSVVAFPOEBGC-MRXNPFEDSA-N 403.442 1.958 30 10 HDEE Cc1ccnc2c(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)cccc12 1856057822 ALBRVWFRHHDHTR-UHFFFAOYSA-N 400.460 1.460 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)[C@H]4COCCO4)C3)CC2)c(F)c1 1856165958 WDVSLKCBAXRKDA-UYAOXDASSA-N 415.465 1.700 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(C)cc3)C2)CC1=O 1856802669 DYXNCPIIJOIRHY-DLBZAZTESA-N 408.476 1.018 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1856835890 ATBCHAGZWUJVIJ-QZTJIDSGSA-N 401.507 1.784 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cccc(Br)n3)C(=O)C2)C1 1856862670 VKIOXIJTLIINMU-CQSZACIVSA-N 407.312 1.779 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2Cc3ccccc3O2)c2ccccc21 1856900351 HKHKPFFNBCWZCJ-GOSISDBHSA-N 411.439 1.613 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc3ccccn3n2)C1)[C@H]1CCN(C)C1=O 1857077231 WTPUXUDGRRZBSG-APWZRJJASA-N 409.490 1.432 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)n1 1857117143 MWKPRZGDAXAQFB-HKUYNNGSSA-N 412.490 1.598 30 10 HDEE Cc1cnc(N(C)[C@@H]2CCN([C@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)C2)nc1 1857150833 QOKLBUOBIYOVQI-MSOLQXFVSA-N 405.462 1.004 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc3ccccc3cn2)C1)[C@H]1CCN(C)C1=O 1857263438 GNANGAPLJXECJQ-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1857428800 XXFKZLWYNJEMQO-UHFFFAOYSA-N 417.409 1.903 30 10 HDEE CN(C)CCCNC(=O)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933353 DUEWLEPWSKTNKF-GOSISDBHSA-N 400.504 1.534 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2cncc(C)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870004997 SOOXKVBHNXQQCU-INIZCTEOSA-N 416.507 1.772 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1 1870144025 LESMSKWWTFMPSS-UHFFFAOYSA-N 416.397 1.772 30 10 HDEE CC(C)N1C[C@@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)CC1=O 1870151244 QFPZXRLHCVWQJO-HNNXBMFYSA-N 407.478 1.935 30 10 HDEE CC(C)N1C[C@H](C(=O)Nc2c(C#N)nnn2-c2ccc(N3CCCC3)cc2)CC1=O 1870151245 QFPZXRLHCVWQJO-OAHLLOKOSA-N 407.478 1.935 30 10 HDEE CCCCCCCCn1cc(OCC(=O)OC)c(=O)cc1CN(CCO)CCO 1870450503 ZIFSWGUKBAOBLW-UHFFFAOYSA-N 412.527 1.547 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(C)CC1 1870502776 PUARAKBQFNFOTF-UHFFFAOYSA-N 403.508 1.256 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4nccn4c3)CC2)CC1 1889365502 PJQUGVNGOJFGEB-UHFFFAOYSA-N 409.534 1.596 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1895891915 AVONIAUJRSPDAC-GBESFXJTSA-N 414.506 1.593 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 1901464649 HFUSTBLAXFJHEN-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE C=C(CNC(=O)[C@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991967097 VHLGUIZVDMBQHB-ZDUSSCGKSA-N 414.283 1.610 30 10 HDEE C=C(Br)CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1992002957 ZQYSBOWUJODQSW-LLVKDONJSA-N 411.318 1.388 30 10 HDEE CN1CCCC1=NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 2040787364 TUSWBCJKDVETGI-UHFFFAOYSA-N 418.475 1.851 30 10 HDEE CO[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@@H]1OC 2116073249 OJILEXMCFQZDHS-KBPBESRZSA-N 413.121 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 2116274617 QBRJNDRSJCUGGC-WCQYABFASA-N 401.510 1.516 30 10 HDEE Cc1csc(CN(C)C(=O)[C@@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2157045942 QINHARJMYVLTLZ-GFCCVEGCSA-N 401.359 1.747 30 10 HDEE CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCOCC1 2174783253 AFCKXLORPMMLPZ-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2174787381 SWKDHDKONVPDFZ-MAUKXSAKSA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCS(=O)(=NS(=O)(=O)N3CC(C#N)C3)CC2)C1 2176121818 XTUDCKIULKOZBF-UHFFFAOYSA-N 418.541 1.185 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@@](F)(CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180120069 QRPNDVNOEWEWGZ-HBUWYVDXSA-N 402.488 1.278 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](CS(N)(=O)=O)[C@@H](C)C2)C1 2183036166 ORUPEWWAAJEYDO-KBPBESRZSA-N 401.529 1.231 30 10 HDEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C)C(=O)OC(C)(C)C 2243398739 SZBHGRCHUPYWDC-UHFFFAOYSA-N 407.320 1.921 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O1 2246720775 POVOBJUZNMGMEZ-XQQFMLRXSA-N 405.289 1.757 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2255749513 VDRVDVFMDVFCIF-UHFFFAOYSA-N 415.342 1.479 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)OC1(C)C 2256058870 JSWFUZQXYIHHEH-SBUREZEXSA-N 420.322 1.780 30 10 HDEE CN(C[C@@]1(O)CCOC1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281938045 IMHOKDAXLMNEKO-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H](C)CS(C)(=O)=O 2281974254 DMDWGERZQADOGN-JTQLQIEISA-N 402.347 1.256 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(C)(C)C 2282010367 XTDFUNSCSWFGFC-MZHQLVBMSA-N 400.375 1.965 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282202592 GDAOFYLHAYLFHX-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282307357 AQMNQFZZETZRMM-SNVBAGLBSA-N 422.765 1.633 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282314547 AWTRVIUCFXOPHK-LBPRGKRZSA-N 401.359 1.890 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@H](C)NC1 2282326554 UTQVURVHBJOMRK-DGCLKSJQSA-N 400.375 1.775 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1C 2282328924 FKNDEKLMWHOCEK-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE C[C@H]1C[C@H](CN)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331873 SSHTYHJIWJADKV-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CCN([C@H]1CCCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332609 DNIGWPAAIZLDOV-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)N3CCCC3)s2)OC1(C)C 2282333347 NHBSCPZKDUORDD-VWLOTQADSA-N 420.387 1.845 30 10 HDEE C[C@H]1SCCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335318 NXOCXYIFDJXXON-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H]1C[C@H](O)[C@H](C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282335632 RZGZNPXOLJLKKF-DYEKYZERSA-N 401.359 1.827 30 10 HDEE CN(CCCS(C)(=O)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341036 MUURNHHDJZYAFZ-UHFFFAOYSA-N 423.387 1.103 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC[C@H]2CCSC2)n1 2282494971 FSKQTRIINUIPAH-LBPRGKRZSA-N 401.363 1.141 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282507481 IEOTWNKKLPDQSK-SHZVTRLKSA-N 401.359 1.172 30 10 HDEE C[C@H](CC[S@](C)=O)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282545481 RPCIUZPBLRWOKR-SKVICXGVSA-N 403.741 1.260 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282630107 DPDUSVJFJANJDX-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282632938 RLHAGVGKGSBIQZ-LBPRGKRZSA-N 401.359 1.989 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCCCO2)OC1(C)C 2282830145 PLQAGGGVYAMIRM-GFCCVEGCSA-N 402.347 1.431 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](CN)C[C@@H]1C 2282834481 VCVIIZKYQLCVRY-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(O)CCSCC3)c2)OC1(C)C 2282850727 SHABXPINNBUGNT-UHFFFAOYSA-N 419.399 1.584 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1O 2282870125 NFZXKDZOFBFJRE-NHYWBVRUSA-N 401.721 1.641 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC(C(=O)O)CC3)s2)OC1(C)C 2284410916 XMPHUDVENOYXLU-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2290389441 ILHWQXCMBGGCMK-JTQLQIEISA-N 404.319 1.070 30 10 HDEE C=CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2316824681 ODMFVHDIVBELGL-INIZCTEOSA-N 408.476 1.792 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CC1 2319416616 UIXWIXIJYYAWBL-FQEVSTJZSA-N 405.472 1.300 30 10 HDEE CCCNC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc[nH]1 2329012006 MWSUFUKGRMOBAC-AWEZNQCLSA-N 417.539 1.831 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2csc(I)c2)CCC1 2342098395 VDGFDECJAXYVBS-SNVBAGLBSA-N 410.302 1.828 30 10 HDEE CC[C@@]1(C)[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2361993828 YWKSTIMNUBEDSK-PXAZEXFGSA-N 401.359 1.971 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2367834457 RPRYBYXJYOWRIA-VKJFTORMSA-N 400.541 1.163 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 34691397 BWKXYBGTOJLOAI-SFTDATJTSA-N 406.523 1.348 30 10 HDEE C=C(C)COc1ccccc1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OCCC 66225000 HDWFQIXWMFOKFO-KRWDZBQOSA-N 403.479 1.724 30 10 HDEE CCOc1cc([C@@H]2NC(=O)Nc3c2c(=O)n(CC)c(=O)n3CC)ccc1OCC#N 108322436 WCLQVCIAWRFQGW-INIZCTEOSA-N 413.434 1.575 30 10 HDEE CCC(=O)N[C@H]1CCCN(c2nc(N3CCC[C@@H](NC(=O)CC)C3)ccc2C#N)C1 302880563 IKULRVSHTZOWFK-MSOLQXFVSA-N 412.538 1.943 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C[C@H]3CCCO3)C3CCCC3)CC2)o1 302975186 CBKYWECDHVEBRN-GOSISDBHSA-N 401.511 1.927 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 404965008 LEXRSRGXEONAES-NSHDSACASA-N 403.331 1.370 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(-n3cc(Br)cn3)nn2)C1=O 410116223 OKIFRNCHEOORNE-ZDUSSCGKSA-N 405.256 1.284 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 426857927 RMPPRHOHXCHUBK-QGZVFWFLSA-N 413.503 1.405 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)CC1 438213823 WCZNLTOSVWRCHJ-UHFFFAOYSA-N 413.522 1.683 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 463367433 GONJHQJTUDXGNP-UHFFFAOYSA-N 411.487 1.909 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(C)(=O)=O)s3)cc2C1=O 469957314 UETOZBFJVRWUCN-UHFFFAOYSA-N 404.469 1.864 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@](C)(C#N)CC(C)C 476256109 HANZDDJRLKMSKB-LJQANCHMSA-N 409.508 1.774 30 10 HDEE Cc1occc1C(=O)NC1CCN([C@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 477035749 SDRHDFGIOMOATN-IBGZPJMESA-N 406.442 1.986 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1 482530081 IULWXTFXROVWKT-INIZCTEOSA-N 415.471 1.838 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](C2CC2)N(C)Cc2ccccc2)CC1 483679010 HLJZKSPXCNXCID-OAQYLSRUSA-N 413.566 1.526 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C#N 489665685 ZKYHXHRKHHQJSR-MRXNPFEDSA-N 412.450 1.953 30 10 HDEE N#Cc1ccc(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cn1 501822323 GKAZYRPDULQJMO-NRFANRHFSA-N 403.486 1.902 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC(C)(C#N)CC1 507823206 GXXQEAMKUKXCJB-AWEZNQCLSA-N 407.492 1.667 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(Cc2nc(C)no2)CC1 508921398 YPIOSTWJZGFJFM-GOSISDBHSA-N 423.477 1.990 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC[C@H]1c1ccccc1I 511911609 VCZDOOYUWCGEMM-ZDUSSCGKSA-N 412.231 1.777 30 10 HDEE COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 513747940 ACGNQEBWHWHUTL-UHFFFAOYSA-N 410.405 1.771 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)c1C#N 536299892 OTLNZILHPHDKNP-HNAYVOBHSA-N 410.478 1.600 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccnc(OCC(F)(F)F)c2)CC1 537389741 PHWNJTPBPOBFIE-UHFFFAOYSA-N 401.389 1.474 30 10 HDEE N#CC1(c2ccc(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)cc2)CC1 540721822 XCCHAJPGSHGPDY-UHFFFAOYSA-N 417.531 1.945 30 10 HDEE CN(C)C(=O)COC1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542032124 IYPMZTLLHLBRPI-UHFFFAOYSA-N 402.842 1.718 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)n1 545461919 JPPCLPPBZVPYCM-CQSZACIVSA-N 411.412 1.933 30 10 HDEE CN1CCC(N2CCC(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)CC1 546882692 NOJHSAMLARNXRW-UHFFFAOYSA-N 411.554 1.343 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCOC2)CC1 550089461 NLXADJVRCBUTTP-KRWDZBQOSA-N 402.543 1.396 30 10 HDEE CCNC(=O)COc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 562164402 ANSOZLPIQKEBQD-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE CN(C)CCCOc1cnccc1CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 584135408 DWCVLCPDIQAPCH-UHFFFAOYSA-N 423.521 1.711 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCCN(C(=O)c3ccsc3)CC2)c(F)c1 586862424 WEZWZARRXMDTRK-UHFFFAOYSA-N 414.462 1.750 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 669815640 XICSNZWVYQRDCY-HNNXBMFYSA-N 416.530 1.992 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727813697 FMYTWSZGPGVSQT-UHFFFAOYSA-N 408.483 1.170 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCn3ncc(C(=O)OCC)c3N)cc2C1=O 729809731 NDOABFUNLYXGPE-UHFFFAOYSA-N 412.402 1.281 30 10 HDEE Cc1nc(COc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)no1 732707223 XGFAAWCJKPHGKU-INIZCTEOSA-N 410.434 1.094 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CC[S@@](C)=O)CC1 746472846 GYGBFABADPOFAZ-YMGMXPECSA-N 406.552 1.326 30 10 HDEE COc1ccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)cc1C#N 746703602 NHXIGMAWUYZRFN-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE C=CCn1c(Cc2noc(C[C@](C)(O)c3ccccc3)n2)nnc1N1CCOCC1 761775195 DEVDTZXQAHYHQB-NRFANRHFSA-N 410.478 1.725 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 765901797 WXHNSCUSANGVBT-SUMWQHHRSA-N 403.460 1.083 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)NC(C)C)C1=O 771580628 ZFVWKVMVYYKDPQ-XCLFUZPHSA-N 400.435 1.004 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 776115609 NQJZOIYPPIRLNK-LBPRGKRZSA-N 405.523 1.041 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 780176963 QXWSHRHELDLOCY-LHSJRXKWSA-N 418.446 1.747 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 780853237 ABXGENYKUMSGLY-SFHVURJKSA-N 419.890 1.778 30 10 HDEE N#CC(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCc1cccnc1 782749425 GNRGOSVXBFYLMH-UHFFFAOYSA-N 419.416 1.724 30 10 HDEE C[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)NC1(C#N)CCC1 787725829 DXYXYJKBSLYVKD-JTQLQIEISA-N 419.239 1.533 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(OC)c(OC)cc2F)n1 788695571 VEDWRHDXXVFDGQ-UHFFFAOYSA-N 411.455 1.510 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(S(=O)(=O)CC)CC2)CCCN1C(=O)OC(C)(C)C 790551371 YAGRZQDHZCWCSG-IBGZPJMESA-N 415.556 1.826 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCc1ccc(C#N)c(F)c1 791416162 IBOXAURULIMSTO-NSHDSACASA-N 405.407 1.206 30 10 HDEE C=CCN1CC[C@@H](OC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)C1=O 798575681 CDENNTDMULLRFI-QGZVFWFLSA-N 410.492 1.426 30 10 HDEE C[C@H](C(=O)OCc1nnc(C(=O)Nc2ccc(F)cc2)s1)n1cnc(C#N)n1 798747325 GSFIYTCVJOOZEN-SECBINFHSA-N 401.383 1.697 30 10 HDEE CC(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802662212 QEMHZFFPVARGCO-IBGZPJMESA-N 418.509 1.753 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)Cc2ccc(Br)cc2C#N)C1=O 1126809069 OJNGGRLJNSLFHF-FZKQIMNGSA-N 419.279 1.700 30 10 HDEE CC(C)(C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)c1ccc(C#N)cc1 1127974883 PUVJKKGRVNMTIN-GOSISDBHSA-N 405.520 1.489 30 10 HDEE Cn1cc(Br)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1=O 1129338744 LPOAQHQAHGLAPA-LBPRGKRZSA-N 403.236 1.708 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 1132451667 HIQKWHHTSOCBGD-UHFFFAOYSA-N 421.244 1.521 30 10 HDEE C=C(C)[C@H](CC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OCC 1133401140 XSHGKTVKDIBNNR-HOTGVXAUSA-N 418.556 1.898 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@@H](CNS(=O)(=O)c3ccc(C)cc3)C2)nn1 1143177484 SDQBGVMFUKTTIT-INIZCTEOSA-N 403.508 1.603 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1157529607 BJOYUTOUBSSQEE-UXHICEINSA-N 417.473 1.746 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1 1167964135 BDYHESDDKFUREI-GOSISDBHSA-N 421.563 1.866 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)[C@@H]1CCN(CC(F)(F)F)C1)c1cc[nH]n1 1168457780 ZLOPIBWUULUDAK-GFCCVEGCSA-N 419.404 1.179 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 1196781607 DDWATELSXTUFRN-PMACEKPBSA-N 406.490 1.682 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1224764531 WHNGLHZTDJXACJ-KAMYIIQDSA-N 424.504 1.018 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1230746646 OYDSEZMNTVZZLL-ARFHVFGLSA-N 415.556 1.922 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@](C)(COCc2ccccc2)OC)CC1 1230817924 TXOQAXKQQZEBMF-JOCHJYFZSA-N 401.507 1.779 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 1233851343 GOKSNFKWKAPXSV-CABCVRRESA-N 422.507 1.648 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C[C@@H]3CCOC3)C2=O)cc1 1234023152 FGJKDDFLBINUNP-SXLOBPIMSA-N 412.490 1.891 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1252072800 SLDOSFTVZBQJDG-HOCLYGCPSA-N 413.927 1.947 30 10 HDEE Cn1c(S)nnc1CCNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1252425669 QXRMXWICKXANMQ-UHFFFAOYSA-N 413.507 1.578 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286390205 YNVWCTMMABSJOR-QGZVFWFLSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1286393295 JQZKEDDZPKTJTP-ZWKOTPCHSA-N 407.584 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)nc1 1286469369 TZLBAQDDSHYNIB-UHFFFAOYSA-N 409.494 1.678 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCCN2CCN(CC)CC2)CC1 1286483766 XYZALRGXPCVKRD-UHFFFAOYSA-N 413.614 1.404 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC(F)(F)F)CC1CC1 1286786631 VWOJSHJFTXCXFX-CYBMUJFWSA-N 414.432 1.700 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C 1286793402 XHJMXKDKIOWJTC-KRWDZBQOSA-N 403.575 1.094 30 10 HDEE CC(C)C(=O)NCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1286964930 GKMHNWJOIRBJLB-CQSZACIVSA-N 422.493 1.962 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)N(C)C)CCOC1 1296603908 APOVROGDLAYGNW-MOPGFXCFSA-N 408.478 1.241 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300382678 ZAUCOXSAOOXPCC-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300400544 HZPXJMCNKKPDGW-INIZCTEOSA-N 405.524 1.717 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300495422 HIDJDCKWIJBODJ-WZQKQDCOSA-N 414.597 1.262 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1300505510 CBHMTMACXXLZSQ-BZSNNMDCSA-N 422.551 1.595 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1300618445 FPTOUYXLOBTDRJ-LJQANCHMSA-N 419.533 1.992 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2OCC=C)CC1 1300698100 NDZYMFNUGBLJTM-LJQANCHMSA-N 420.517 1.598 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1300719246 TUJOLKOXSVHVSJ-IBGZPJMESA-N 424.480 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)C1 1300889263 BMAGQQVVBWBZDA-KDOFPFPSSA-N 402.524 1.551 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1 1300890874 IKCXWRHRJFVAAA-FXAWDEMLSA-N 413.526 1.752 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300950883 QOJIHKNFMHRCSJ-HUUCEWRRSA-N 400.487 1.280 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1301221686 NIWLNUSRQHQTMO-SXLOBPIMSA-N 416.570 1.737 30 10 HDEE C=CCn1c(N(C)CCS(C)(=O)=O)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473397 AHQOFDQPXAJZFA-OKILXGFUSA-N 413.544 1.716 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1301491556 TTWVYBLWQGFNEY-UHFFFAOYSA-N 408.510 1.997 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1301556336 HDNXIQCBBKMHJZ-IAGOWNOFSA-N 410.540 1.388 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CC2CCS(=O)(=O)CC2)CCO1 1303003884 KKJYUODFQCLCKT-MRXNPFEDSA-N 421.548 1.484 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1303643633 ZZCKSZZWRWAFKH-CABCVRRESA-N 418.523 1.813 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CCCO2)C1 1303932892 BHUAHANISZOCAL-ATZDWAIDSA-N 407.540 1.879 30 10 HDEE CC(C)[C@H]1C[C@H](N2CCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1305222593 HIIJTBYQASYUNP-XKGZKEIXSA-N 418.563 1.946 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1Cc1ccc(C#N)o1 1305988121 JUFISCIXUXKBHZ-UHFFFAOYSA-N 406.446 1.869 30 10 HDEE C#CCN1CCC(NC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 1311826027 SEMZTQQDVMUMGN-UHFFFAOYSA-N 417.941 1.385 30 10 HDEE CS(=O)(=O)C1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCCCC1 1313019087 NAWSVENYFUYRCY-UHFFFAOYSA-N 405.524 1.532 30 10 HDEE COCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1316262390 AJMRZCFTJDZTPD-INIZCTEOSA-N 417.466 1.354 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)COCCO1 1316291215 QCXJVQZDNKWYNI-USNOLKROSA-N 419.526 1.938 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n(C)n1 1320853007 WHDPDFUOKACALG-QZTJIDSGSA-N 406.490 1.738 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1323782670 IMAGEQSCYPFHOH-CQSZACIVSA-N 417.325 1.921 30 10 HDEE CCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 1354740309 DIGGORBAJGNAHG-NNLSSIJJSA-N 406.508 1.696 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(=O)(=O)CC 1358891405 FUFOFRUNEDQFRB-CQSZACIVSA-N 409.943 1.920 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1358937109 IPTFTPZGNQJMJK-HOTGVXAUSA-N 403.483 1.494 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(CCOC)c1 1358943916 AEPRYIWCAWSSLC-UHFFFAOYSA-N 410.478 1.923 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358965039 MTEYCEWDNTVMJX-ZWKOTPCHSA-N 415.519 1.070 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1359058092 SLTKWRBIIXZVJH-UHFFFAOYSA-N 401.496 1.837 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359059149 BXDFWTLCYMYZEB-MRXNPFEDSA-N 411.597 1.363 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(O)CC(OCC)C1 1359064348 QPAWIOWSUAVQBT-ONARBREZSA-N 406.527 1.924 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359225487 AOTXRNPETZFMRA-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359270692 ZDSCKVKZZVUCFQ-HNNXBMFYSA-N 405.528 1.139 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359292650 UXTNWTSPLRPQBF-OAHLLOKOSA-N 422.530 1.434 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)Cc1ccon1 1359294511 VQIVEBVKTUDJDM-UHFFFAOYSA-N 412.450 1.889 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)CCN1CCOC(C)(C)C1 1359296855 WVKIMRPZJUQMBH-UHFFFAOYSA-N 412.538 1.794 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1359297730 AAPIVIFDBVCJDN-WCQYABFASA-N 411.388 1.193 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1C(=O)Nc1ccc(C)c(C)c1 1359305886 PRQSXKJWXUTMPF-UHFFFAOYSA-N 408.466 1.927 30 10 HDEE C[C@@](O)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1360730883 AIHADWMXHHRCNL-SQGPQFPESA-N 401.442 1.905 30 10 HDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nnc2n1CCCCC2 1440937133 IYCHYCBOPLKCMV-LBPRGKRZSA-N 405.455 1.932 30 10 HDEE C#CCN(CC(=O)NCc1cccnc1N1CCN(C)CC1)C(=O)OC(C)(C)C 1442564553 AEFRBAMHHPTOIF-UHFFFAOYSA-N 401.511 1.320 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1445522812 HVSKKYSGHLNCAI-VUEDXXQZSA-N 420.469 1.590 30 10 HDEE Cc1ccc(C#N)cc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1449269386 LGUJNIIIYHSLPO-GOSISDBHSA-N 420.517 1.443 30 10 HDEE C#CCN(CC(=O)Nc1ccc([C@H]2CC(=O)NC(=O)N2)cc1)C(=O)OC(C)(C)C 1453978220 OBQRNWHSFLZJAF-OAHLLOKOSA-N 400.435 1.766 30 10 HDEE C#CCN(C(=O)CCCCCS(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1455811661 QDVGJJSSIKYZMF-UHFFFAOYSA-N 415.556 1.697 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Br)cnc1F 1457954701 VDYXGTWXUWBJJG-JTQLQIEISA-N 405.231 1.996 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)Nc3ccc(Br)c(C#N)n3)nc21 1461103001 FUIHEOGJYYLXBN-UHFFFAOYSA-N 402.212 1.669 30 10 HDEE COc1cc(C(=O)NCCNC(=O)c2ccc(Br)cn2)ccc1C#N 1461521727 CQFJSNQIZGMVJJ-UHFFFAOYSA-N 403.236 1.884 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC(F)F)nc3)CC2)cc1 1464022162 BBCOCVQAZPYGBD-UHFFFAOYSA-N 422.413 1.701 30 10 HDEE CO[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 1468220346 FQLXSHJKFHKWBY-MAUKXSAKSA-N 401.488 1.599 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OC(C)(C)C)cc2)CC1 1469489555 PJJFMENXWQKBMA-UHFFFAOYSA-N 422.551 1.201 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12)C(=O)OCC 1471118370 NFBGLAPGWRAUEG-LBPRGKRZSA-N 414.871 1.032 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCO[C@H]2CCOC2)CC1 1479414131 UYPDFWPSWNFCAW-AWEZNQCLSA-N 401.423 1.443 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCc2ccco2)n1 1492509952 CEQIRCGYSFKQBH-HXUWFJFHSA-N 409.425 2.000 30 10 HDEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCS(=O)(=O)C1 1492557324 GUYDAUMNXNOSEK-IFXJQAMLSA-N 403.508 1.399 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)OC)c1 1507550406 KNMLHCJJRNPXHK-ZWKOTPCHSA-N 424.505 1.710 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507592116 PYTPZNROUWXJFM-QZTJIDSGSA-N 401.511 1.413 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1507624569 BOHDEVIKQWEHGE-PXNSSMCTSA-N 424.567 1.747 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507855059 RALLGYPAEREODP-HYVNUMGLSA-N 413.950 1.912 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1507968191 PWISCMIFTQCQGO-JTQLQIEISA-N 401.443 1.286 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H](O)C1 1508040215 UPGWIHJVMQBYAH-GVDBMIGSSA-N 412.556 1.370 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)[C@@H](C)C1 1508131813 QKDCWLMVSSJLTQ-GASCZTMLSA-N 411.572 1.890 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCn2ccnn2)CCOC1 1508410634 FRRZRVLDGGNNOW-LPHOPBHVSA-N 402.503 1.596 30 10 HDEE N#Cc1cccc(C(=O)NCc2ccc(C(=O)NCC(N)=O)cc2)c1Br 1515801564 MXEFFXVNEAQFQS-UHFFFAOYSA-N 415.247 1.466 30 10 HDEE CN(CC(C)(C)C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1517080926 FEEIUYSDQJAJDY-FBMGVBCBSA-N 412.498 1.687 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(C)(C)O)C[C@H]1O 1517688816 KHFATWPMTGVIDK-IAGOWNOFSA-N 413.478 1.338 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1518088430 ANLVYFOJIIBELF-KUHUBIRLSA-N 419.507 1.242 30 10 HDEE CC(C)(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)c1cccc(C#N)c1 1532252426 VRRXZNGBPFXLDR-UHFFFAOYSA-N 403.460 1.837 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1534034784 FLPUQFKOWBXBJQ-SAABIXHNSA-N 420.531 1.567 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCCO 1538983023 MYIOVYLRIYPNMB-OAHLLOKOSA-N 406.508 1.206 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1539144995 AGYXWPSGJBSOGU-UHFFFAOYSA-N 406.288 1.243 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)C1CC1 1539170976 DQJIWSHSKOATTP-UHFFFAOYSA-N 405.506 1.746 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1539202056 FOANGNXYMWOFEI-OAHLLOKOSA-N 405.524 1.935 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539219411 JRHRRHDSDLJAES-WBVHZDCISA-N 420.510 1.670 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCO[C@H]1C 1539331519 RVGYKOHPKNVFMK-CVDCTZTESA-N 408.502 1.902 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1539517006 GYPZDNCLTSKOLV-HOTGVXAUSA-N 412.581 1.409 30 10 HDEE C=CCCOCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1540041592 BEFZADJMSPJBEW-NHCUHLMSSA-N 419.526 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)OC)CC1 1540868087 RHVUICZQSLFEOD-UHFFFAOYSA-N 401.442 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)OC(C)(C)C1 1540905065 RLMLENGAXIDIEI-MRXNPFEDSA-N 419.551 1.868 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C#N)CC1 1541088373 GJTYNUGDYNAQRS-UHFFFAOYSA-N 420.481 1.187 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCSC[C@H]1S(C)(=O)=O 1544036258 RZCLEJOUFBGAAF-ZIAGYGMSSA-N 419.569 1.910 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 1544078312 DWYFWIGNBDFZNV-UHFFFAOYSA-N 401.488 1.539 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1547918470 FOGPNYSFZZWJSR-NQIIRXRSSA-N 418.542 1.533 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1548275907 MWBRDVKAIKLWTC-UHFFFAOYSA-N 410.478 1.576 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C1 1555700470 RKHJSKQKEBWUTH-RBUKOAKNSA-N 413.478 1.474 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CC=CCO2)cc1 1555991880 YZCOCBLGFMDCTQ-PKOBYXMFSA-N 422.489 1.776 30 10 HDEE COCCOCCOc1ccc(NC(=O)Cn2cnc(C#N)n2)cc1Br 1558655082 PXHRCIWCGJOUHP-UHFFFAOYSA-N 424.255 1.593 30 10 HDEE C#CCN(C(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1)C1CCN(C)CC1 1564639150 NVSIISAACUFNSB-QGZVFWFLSA-N 406.552 1.483 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)c1ccccc1Br 1570316780 AZELDAZBZGJEGI-VUAZUDAXSA-N 408.252 1.515 30 10 HDEE CC1(C)[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 1583343346 UOEJSYKKPKNIOD-ZWKOTPCHSA-N 405.520 1.089 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CCO2)cc1 1585446538 UTVRFTHKJIYPFD-UXHICEINSA-N 403.442 1.578 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CC2)cc1 1587650366 JSUCDCYYUVQEHJ-QGZVFWFLSA-N 410.517 1.413 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCOCCCO)CC1 1588768413 FRSBLXXFKQTIMQ-UHFFFAOYSA-N 409.490 1.846 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1589580209 NGPIBKSMQJYUTD-CVEARBPZSA-N 411.572 1.638 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593758088 ULKMCJYXWMZXFG-INIZCTEOSA-N 402.499 1.296 30 10 HDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1594521125 KPTUXXOAMNNGIH-UHFFFAOYSA-N 406.556 1.977 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C)C1CC1 1595021116 UHOZELSJQMGMDO-CYBMUJFWSA-N 412.560 1.348 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1595302904 GMZAWWVSMCHRFN-UHFFFAOYSA-N 414.572 1.445 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC#N 1595496571 AGVHLWSZIKSSAY-CQSZACIVSA-N 416.507 1.389 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1595603018 VQDWLQVATRSNHM-ICSRJNTNSA-N 424.505 1.812 30 10 HDEE C#CCN(CC(=O)N1CCC(C(=O)NCC(F)(F)F)CC1)C(=O)OC(C)(C)C 1595613987 HTQYZEAVKPYPEE-UHFFFAOYSA-N 405.417 1.774 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(c2ccccc2OC)C1=O)C(=O)OC(C)(C)C 1595983697 MEAYFUZWSLZKJG-HNNXBMFYSA-N 401.463 1.787 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1596540819 NXQMNNPJYCRFHC-IEBWSBKVSA-N 421.505 1.448 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CN([C@H]3CCOC3)C2)n1 1611072999 SZJNCIMDAGMDPR-ZDUSSCGKSA-N 406.537 1.459 30 10 HDEE O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCC(F)(C(F)(F)F)C(F)(F)F 1611602194 NQJAVYMXEBSESV-SQEXRHODSA-N 406.254 1.098 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCn1cncn1 1613530384 CJCYHDDIUBYHTL-UHFFFAOYSA-N 421.509 1.996 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(C)C)cc1 1617486561 FWQLHEKFQNWVFZ-QKLQHJQFSA-N 403.504 1.146 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1625924907 YPTHUJJERZNVOY-QWHCGFSZSA-N 409.936 1.549 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N1CC[C@@](O)(CC#N)C1 1627464931 XXJVULNCWQASKK-AWEZNQCLSA-N 415.187 1.999 30 10 HDEE N#CCN1CCC(CNC(=O)c2cccnc2-n2cc(Br)cn2)CC1 1627909634 AMDAAPYMQDFRAF-UHFFFAOYSA-N 403.284 1.995 30 10 HDEE C=CC(C)(C)CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1629119842 YFPXXMQSOZBDTA-UHFFFAOYSA-N 422.551 1.353 30 10 HDEE C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CN1CCOCC1 1629894796 GJLWGMXPZKZLNX-HOCLYGCPSA-N 404.898 1.649 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(c2nccn2C)c2nccn2C)c1 1633214198 WFXYAAIFPOVJAF-UHFFFAOYSA-N 411.487 1.470 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634287825 GTPISYKQQUTITI-IRXDYDNUSA-N 408.495 1.864 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@H](S(C)(=O)=O)C1 1635396666 FRUMLIUQHFMVST-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CO)C[C@@H](OCCOC)C1 1635550056 DWVLMVYHSVIJME-XHSDSOJGSA-N 420.934 1.895 30 10 HDEE N#CC1(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCOCC1 1637326562 DRGYQWMTMURMHU-UHFFFAOYSA-N 405.520 1.840 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)C1=O 1638808055 IRJFSPFOJRUQLU-LBPRGKRZSA-N 417.384 1.171 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1640202316 YDFJICYEZNEIBR-MRXNPFEDSA-N 408.543 1.210 30 10 HDEE N#Cc1cn(CCNC(=O)C2(c3ccc(Br)cc3)CCC2)c(=O)nc1O 1641033537 COYZOYLAJFTKIB-UHFFFAOYSA-N 417.263 1.821 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCn3ncc(I)c3C2)nc1 1646418183 SECZJELCYHDVQN-UHFFFAOYSA-N 408.203 1.209 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccc(C#N)cc2)CCO1 1647906367 MGYMVNWZUHUSRP-OAQYLSRUSA-N 403.479 1.946 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCCONC(=O)OC(C)(C)C)cc1 1647969293 OIBJVLMNKRVGAA-UHFFFAOYSA-N 411.480 1.174 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1648091976 CAHIOQFIVJNMCQ-YLJYHZDGSA-N 419.437 1.743 30 10 HDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 1652092194 JMYAWIPVMZHZIL-UHFFFAOYSA-N 420.491 1.718 30 10 HDEE N#CC[C@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1655039634 LLTTVUQYCLQDBG-QJISPJEISA-N 413.503 1.860 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1655570149 HIBOIYGPVPIKDI-LSDHHAIUSA-N 404.533 1.328 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)C1 1656883884 NUJIBVOPLHGWAB-HNNXBMFYSA-N 404.941 1.261 30 10 HDEE N#Cc1ccc([C@H]2CN(CC(=O)NCCOc3ccc4c(c3)OCO4)CCO2)cc1 1660389550 PGSNJKMMKKQUHD-OAQYLSRUSA-N 409.442 1.855 30 10 HDEE C#CC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1664365416 BMWQIDHGAZEICP-SJORKVTESA-N 408.476 1.272 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1C#N 1664601720 ABGXEXNCHOBUBO-UHFFFAOYSA-N 414.510 1.806 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)c2ccc(Cl)cc2C#N)C1 1665761996 FBBREDAFOZICEJ-QGZVFWFLSA-N 415.899 1.862 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1668896654 FMZAMZYOXSJGLX-CRAIPNDOSA-N 422.503 1.200 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCc3ccc(C#N)s3)CC2=O)C1 1673780245 AZGXKMGLLIBCJM-GFCCVEGCSA-N 419.507 1.639 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1685313179 ODARCGZIOHJAJQ-CVEARBPZSA-N 423.510 1.393 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](CNC(C)=O)C1 1689943689 ZMXCAJAEYFGFLS-QYZOEREBSA-N 403.527 1.768 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689987876 DSXWSCDMPRTGPR-ZDUSSCGKSA-N 413.450 1.182 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1689989810 IZNPHWZCFIUBCU-DLBZAZTESA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992638 NNTONRCGPGHSBZ-MSOLQXFVSA-N 407.584 1.444 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](c1ccco1)N1CCCC1 1690025465 ROZNIWJKUXUELB-IBGZPJMESA-N 420.517 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnccc2OC)CC1 1690154632 VEQWWNSAOLUVCI-LJQANCHMSA-N 424.505 1.547 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1690212386 KGTPNQRHNWQKHO-YADHBBJMSA-N 407.474 1.872 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1690245896 OFZUCMCGFQTQOO-DRMAHVMPSA-N 423.514 1.603 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC 1690432340 BJZSHNJMVXAMCG-OAHLLOKOSA-N 415.560 1.296 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1690569368 GONOUGVYVHMLIY-MRXNPFEDSA-N 410.457 1.738 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCCS(C)(=O)=O 1692529150 NTJMPVYUZJKRCA-LJQANCHMSA-N 424.571 1.761 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1692661907 GBDXSHWGQVUYAR-ZBFHGGJFSA-N 424.571 1.786 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CC=CCC2)C1 1692854603 SNZMPQUVQZMULR-JOCHJYFZSA-N 405.506 1.780 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](COC)C2)n1Cc1ccc(C#N)o1 1694357364 FKURSSXBJCCVMK-KRWDZBQOSA-N 416.482 1.561 30 10 HDEE CO[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697658266 CIVAWYGHZYIDOK-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)OC 1698166659 AXAVFCZNYMCWLD-NVXWUHKLSA-N 406.531 1.604 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCc1c(C)ncnc1O 1702997412 QYDMEDGBOVZMDD-XABWRGDLSA-N 400.479 1.262 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1705559940 CBDZQHBYINASJN-PXNSSMCTSA-N 422.551 1.357 30 10 HDEE C#CCN(c1nnc(C)n1CCCN(C)c1ccccc1F)[C@H]1CCS(=O)(=O)C1 1705561195 OEZPKDSEOLNAPA-KRWDZBQOSA-N 419.526 1.879 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705643622 MTNGDZWYUCDABR-VQTJNVASSA-N 416.570 1.242 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705674124 AHVSZFMIHARSEV-TXPKVOOTSA-N 407.540 1.056 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1705844765 ROPJWVCUMGTBSQ-UHFFFAOYSA-N 400.502 1.794 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1710980347 AQASNCATRHCMDA-NRFANRHFSA-N 407.478 1.011 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@@H]1O 1712835594 DSBUFRCNKCLIRS-APWZRJJASA-N 415.494 1.335 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)CCC)CC1 1722322002 MOASEYZLYGLZPQ-UHFFFAOYSA-N 400.527 1.813 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COCC 1722351569 JORKOGNBFRETAS-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1722358385 GPSCYZOSYYWTEF-HKUYNNGSSA-N 409.490 1.406 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722365186 CJSDJVQENFJNBA-OQRWROFFSA-N 424.592 1.474 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1722370067 KUZACJZHOSBCOB-XMTFNYHQSA-N 422.551 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCC(F)(F)F 1722390499 RIMPIZGUGDTABF-ZDUSSCGKSA-N 405.446 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)O 1722394621 YOAOKYIDOXNZRF-UHFFFAOYSA-N 404.474 1.426 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722413645 HIOFPMZAHXBRMW-GOSISDBHSA-N 415.563 1.918 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCC[C@H]2CO)CC1 1722432728 ZTOUXDQUIVCBBV-IBGZPJMESA-N 402.587 1.568 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722459876 SRODJZAXEXESPE-ROUUACIJSA-N 417.579 1.891 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722697015 GTKLSDGEXDOWBC-UHFFFAOYSA-N 413.482 1.153 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1722850112 BYPZLPMSJOFITB-RBUKOAKNSA-N 421.505 1.590 30 10 HDEE CCN(CC)C[C@@H]1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728408958 KHTSWAYIEQSYLK-NXDJFEHLSA-N 401.515 1.281 30 10 HDEE CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1729310511 VFEBCPLIODYCKL-UHFFFAOYSA-N 422.537 1.692 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740592976 OMCMZILEICWQOR-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@@H]1CCOC1 1740609159 LPPJGNFWBWQZAH-HNNXBMFYSA-N 401.467 1.518 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740665081 OIVIOAGQAUOSAQ-QGZVFWFLSA-N 412.519 1.558 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F)C1CC1 1740910790 SSNAUXYQTSJLMW-GFCCVEGCSA-N 412.466 1.975 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1740950651 BPEONWNJYGRFBK-INIZCTEOSA-N 418.542 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCOCC2)C1 1740973333 VWUXOKXLNRRMBT-GOEBONIOSA-N 413.544 1.096 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740989276 HLGTUZPGKIEAOY-MSOLQXFVSA-N 417.535 1.946 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1741428145 CWZORUMLNKTZLJ-WHEVEAIOSA-N 410.522 1.880 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1 1741517362 AZSBKDXRIOGTON-KRWDZBQOSA-N 419.555 1.728 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCS(C)(=O)=O 1741797946 DCLFVIAXKRYZSE-CYBMUJFWSA-N 405.480 1.847 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncccc1N(C)C 1744698596 WRVBFEMSCDLQJH-UHFFFAOYSA-N 417.521 1.943 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1748846123 CXNVGGJSESMXIP-MRXNPFEDSA-N 412.471 1.030 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1748905771 JIPHMZLXVJBGKO-IAGOWNOFSA-N 424.615 1.858 30 10 HDEE COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1749504205 LZTUWNVYJHHUOR-ZDUSSCGKSA-N 422.511 1.264 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749617665 CXBOXGJNJJSCFV-QGZVFWFLSA-N 410.478 1.906 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(CC(F)(F)F)CC1 1749676653 YGQMIINUTFVOGA-UHFFFAOYSA-N 423.443 1.250 30 10 HDEE N#Cc1cccc(-c2nnc(N(CCCCO)C3CC3)n2CC(=O)N2CCOCC2)c1 1750379398 UVFMJBNRVAKFDK-UHFFFAOYSA-N 424.505 1.417 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)COCCO1 1751307660 FKXVVKWKYAABBX-NRFANRHFSA-N 412.494 1.916 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COC)C1 1760148724 KDUGHPVXVJWJPA-GOSISDBHSA-N 408.466 1.186 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCn2ccnc21)[C@@H]1CCS(=O)(=O)C1 1760181904 DKSNGDVVGULJNK-DLBZAZTESA-N 416.551 1.802 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CC1(C(N)=O)CCOCC1 1760198229 BEZHMDBSIFJFLH-UHFFFAOYSA-N 411.893 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)COC 1760199277 WVBXNKWGGBDSJS-UHFFFAOYSA-N 404.478 1.666 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1760200090 TXFMFTLUBBDMGI-XUTLUUPISA-N 418.432 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1760204453 PYQIXLAJPHQUGP-UHFFFAOYSA-N 400.479 1.658 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1760237082 VCUYIZLQASADCK-UHFFFAOYSA-N 421.549 1.823 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760327346 GKXTURVUCKEAMF-SYNHAJSKSA-N 405.499 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1760520654 VTSIQQUQWFZNII-CQSZACIVSA-N 423.443 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CCOC)C1 1760556030 STKDFDAPXCTEJJ-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE Cc1cc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1761683813 ZBFIQGRTWPFFNZ-HNENSFHCSA-N 411.466 1.690 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@H](O)C2)cs1 1762296817 ORKNFADLTWRLLC-BHYGNILZSA-N 402.524 1.914 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cs1 1764652622 HEQKUCRAARKTHD-QWHCGFSZSA-N 408.553 1.843 30 10 HDEE CCN1CCN(CCCn2c(Cc3ccncc3)nnc2N(C)C[C@@H](C)C#N)CC1 1767158198 CHHUZYROUYCXFT-IBGZPJMESA-N 410.570 1.887 30 10 HDEE CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C1CC1 1767986977 HYRPVGXMTBJTKF-AUUYWEPGSA-N 424.571 1.833 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769107375 REHUVGCZRAHKIN-RDJZCZTQSA-N 415.542 1.121 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C\c2ccccc2)CCO1 1770749518 ZQYGKNFELVDOKI-SJJKRXNQSA-N 413.503 1.622 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@H]2CCCO2)CCO1 1770751643 JAKVFJIIHXEFCU-MOPGFXCFSA-N 412.494 1.578 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770787605 VVOYAOWQMYHRSP-IEBWSBKVSA-N 409.469 1.978 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1771305051 RCNAHGDAUKHQHT-BPUTZDHNSA-N 421.889 1.281 30 10 HDEE CSC[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1772790797 XDISVYDWTNASHX-ZOWXZIJZSA-N 416.455 1.648 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)CN2CCC(N3CCC(C#N)CC3)CC2)cc1 1851051615 JUJYUJVDXRPEKO-UHFFFAOYSA-N 404.536 1.729 30 10 HDEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 1851054116 TXIRQCBCOULHKY-UHFFFAOYSA-N 409.483 1.663 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCCOCC2)cc1 1851612324 RPJBDDQAFYQIJE-HXUWFJFHSA-N 413.499 1.697 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CO2)nc1 1851780465 BBQVQYIVYDKTSN-DZGCQCFKSA-N 414.368 1.948 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nc2ncnn12 1852105031 SCLYXNKVKXGTEA-UHFFFAOYSA-N 418.401 1.906 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1852738429 GDSMRUXNXMTCSU-NWDGAFQWSA-N 400.870 1.520 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CCO1 1852749521 XOZYENXOZKYYPH-MJGOQNOKSA-N 417.462 1.466 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)n1 1853233227 HKXBIGRQFHYDSI-UHFFFAOYSA-N 409.837 1.943 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CSc2ccc(F)cc2)C1=O 1854226202 GLDQUZOFTKAUAI-IRXDYDNUSA-N 405.495 1.764 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cccnc2)CC1 1855836735 AOUCRCIXIHQKEI-UHFFFAOYSA-N 410.455 1.735 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1856267575 XHYRCQBQGXUMLS-MRXNPFEDSA-N 409.552 1.240 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CC[C@@H](N(C)CCC#N)C3=O)n2)cc1 1856489069 SHGWIRWNGZWMQM-QFBILLFUSA-N 407.474 1.753 30 10 HDEE Cc1onc(C(C)(C)C)c1C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857175746 NYLOMVIOSXIVBO-MRXNPFEDSA-N 401.511 1.943 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1857206731 GXYQOOWXYIQUEC-WBVHZDCISA-N 411.506 1.682 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)C[C@@H]1COCCO1 1857225373 CNLVOHPKXBUVBO-JKSUJKDBSA-N 405.882 1.742 30 10 HDEE C=CCn1cc(OCCCC(=O)OCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870370793 HLHOKCULXJTPEM-UHFFFAOYSA-N 405.495 1.454 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CNc1ccc(OC)cc1 1871034247 GFQGPQSQUFIDJK-UHFFFAOYSA-N 413.474 1.893 30 10 HDEE C=CCn1c(C(=O)N(C)CCO)cc2c(NCCCN3CCCC3=O)ncnc21 1875226654 OVIPWNQDGAEASE-UHFFFAOYSA-N 400.483 1.106 30 10 HDEE COc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n1 1889328744 NUIVPPACZXRFDX-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNS(=O)(=O)N2CCC(C#N)CC2)C1 2174789069 MGTBAYRSNKIBOW-HNNXBMFYSA-N 402.517 1.082 30 10 HDEE CN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H](CC#N)C(F)(F)F 2197779609 VFWSMXCVOQLONM-GHMZBOCLSA-N 413.418 1.323 30 10 HDEE Cn1cc(C(=O)NCCNOCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2243421994 VBXFTYDESICLDQ-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247837206 OSWLFJZYRIGJIX-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2247838004 BBVHIVLBKHODSK-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE C[S@](=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2255941313 HDRFJBHNTDLYNB-QHCPKHFHSA-N 413.779 1.358 30 10 HDEE C#CCCN(C1CCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258165491 HTUVATHEBXRSCS-KRWDZBQOSA-N 408.476 1.574 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282304087 GDIMRNXLEGQBSS-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4[C@@H](CO)[C@@H]4C3)cc2Cl)OC1(C)C 2282305332 XFDPUUIFXSDDAE-URLYPYJESA-N 419.761 1.560 30 10 HDEE C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282329439 MFDOIRNWPPRUAT-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE CC[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336345 BQJBTKRYAXWYOY-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCCCN2)OC1(C)C 2282491331 LGVRSMWGHDTBNQ-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498125 ZFMBBKSACAGAOA-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CN1CC[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282501206 UGXVOYDGIVXLIQ-ZDUSSCGKSA-N 400.375 1.418 30 10 HDEE CC1(C)OB(c2cscc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2282524134 AONHSZJOSRYQPM-UHFFFAOYSA-N 401.359 1.990 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282601216 ACVNPZUULUEQGG-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CN1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@@H](CO)C1 2282643355 ZRXKKOOBJOBYRL-LLVKDONJSA-N 400.737 1.449 30 10 HDEE C[S@](=O)CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282848611 POVAFWCCLVFHFA-VWLOTQADSA-N 419.399 1.436 30 10 HDEE CN([C@H]1CCC[C@@H](N)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851429 BOGVJZTZIFTRKE-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE CN1CCC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282860797 GNODRRBQKFWRRW-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@]3(C)C(=O)O)cc2Cl)OC1(C)C 2284411296 IJAWNCMXNDAHPS-HNNXBMFYSA-N 421.733 1.938 30 10 HDEE CC(C)CN(CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284416535 ZCVGQPXMLXPHHP-UHFFFAOYSA-N 403.331 1.779 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286862714 RJTMROYSMOUETR-NWDGAFQWSA-N 401.363 1.002 30 10 HDEE Cn1cnc(Br)c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c1ccnn1C1CC1)[C@H](O)c1ncc(I)s1 2367872104 YFVYGVHTHZAOIC-PWSUYJOCSA-N 400.245 1.692 30 10 HDEE C=CCn1c(SCC(=O)OCC)nc2cc(C(=O)N3CCOCC3)ccc2c1=O 5598210 YJVKPVVJFAFDBN-UHFFFAOYSA-N 417.487 1.710 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2nnc(SCC(=O)NC(C)(C)C)n2N)cc1 20913264 HOMHNGGWKXSZEM-DJKKODMXSA-N 405.484 1.231 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 60529963 WCJKFWSOFPCPSP-UHFFFAOYSA-N 402.476 1.564 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)OCC(=O)c2c(N)n(CCC)c(=O)[nH]c2=O)cc1 96450202 QGZIKUMSJBWXMH-YFHOEESVSA-N 413.430 1.533 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)/N=c3/sccn3C)nnc12 105745444 WKSOSFVIAGMRPU-HTXNQAPBSA-N 412.500 1.850 30 10 HDEE COc1ccc(C#N)cc1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 140948811 IVFLTFLSIPUGEI-HXUWFJFHSA-N 404.426 1.981 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2CCN(c3ccccc3)C2=O)C1 238876961 OHHLGDJBAAUPGA-QGZVFWFLSA-N 406.446 1.660 30 10 HDEE C[C@@H](C(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1)n1cnc(C#N)n1 409745612 NRTRJXKRGZZGLU-ZDUSSCGKSA-N 422.536 1.306 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)n1 441749424 GANGKADLXOBQEX-LLVKDONJSA-N 423.399 2.422 30 10 HDEE COCCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc(C#N)c1 443478682 VJWVFHPMTXWAMM-CQSZACIVSA-N 402.314 1.710 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)cn1 461744939 IPDWWCBCJNOTLB-YQQAZPJKSA-N 411.491 1.803 30 10 HDEE Cn1nc2c(c1CNC(=O)CC[C@@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCCC2 462646391 VZXONFRDJLRVOV-SFHVURJKSA-N 420.473 1.692 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)C1=O 466521725 ZKTBHDHXIGHQDB-INIZCTEOSA-N 401.511 1.325 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1 468290283 RNMCBWJDFGMXGS-IBGZPJMESA-N 415.519 1.724 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)C2 478067278 OKHXMLOUEYRBJW-HTAPYJJXSA-N 413.474 1.752 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1nnc2n1CCCCC2 480121112 QRGBGNHNYNKLGO-UONOGXRCSA-N 416.507 1.420 30 10 HDEE Cc1ccc(C(=O)NCC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)NCC#N 484608539 SYQSQKKJWNOIKN-INIZCTEOSA-N 415.471 1.757 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)Nc1n[nH]cc1C#N 486756651 FOULCIKBDHHBBY-UHFFFAOYSA-N 401.242 1.870 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 500375799 CBMKGDWIZQXNDQ-UHFFFAOYSA-N 406.335 1.743 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 502034281 SPFAXBULTFSUBE-OALUTQOASA-N 410.499 1.435 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 504086386 CHUMGCPEXSXUSO-PMACEKPBSA-N 400.435 1.941 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 506538293 CMXBKOKJSSDHBO-LJQANCHMSA-N 413.540 1.665 30 10 HDEE N#Cc1ccc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)o1 512512029 PNQOWNUNCKSQRJ-UHFFFAOYSA-N 403.460 1.819 30 10 HDEE COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 512974179 DKTACUDQZQCVMC-UHFFFAOYSA-N 410.405 1.771 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC#N)C1CC1 514325712 DWBGCXHAGDYCRN-UHFFFAOYSA-N 406.508 1.150 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 522388229 BQHYBXMQHYWHKE-QGZVFWFLSA-N 411.527 1.992 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccnc(-n3cncn3)c2)cc1 523671477 NDQKCTBXEAQSDT-MRXNPFEDSA-N 405.443 1.688 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 524575177 GMKHJLNFZPNWFW-NVXWUHKLSA-N 422.526 1.699 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]cc(Br)c2=O)c1 535563135 MFUXVSUKLOEFGL-UHFFFAOYSA-N 412.265 1.854 30 10 HDEE C[C@@H]1C[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 542303699 OMQLLEQZFPWQTM-IAGOWNOFSA-N 420.535 1.779 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N[C@H](CC(N)=O)C1CCOCC1 543489573 CGHYYTAQTDENAT-NVXWUHKLSA-N 402.495 1.591 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545470669 OVGBUIQMZFZXMC-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@@H]2Cc3ccccc3O2)n1C 558444436 HKQOYSIIUVYVDF-KDOFPFPSSA-N 402.462 1.868 30 10 HDEE CCc1ncnc(CC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 558871633 VDYZTPCUEDJCSL-UHFFFAOYSA-N 413.503 1.620 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 559023698 OQIVMOCQVNFODQ-INIZCTEOSA-N 408.466 1.813 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)cc1 559171794 FJAFYAYYZVOVBM-VGOFRKELSA-N 422.489 1.482 30 10 HDEE CN1C(=O)C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 566884062 ARZVFTXZAXSSHC-WBVHZDCISA-N 408.842 1.996 30 10 HDEE COc1cc(NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)nn1C 575672954 UIDDBGMJAPMASA-UHFFFAOYSA-N 412.429 1.962 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 579415485 KJGIQYZSRBTDJM-OAHLLOKOSA-N 409.533 1.398 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 581338686 NDCOJUQMEYDVAB-CZUORRHYSA-N 407.496 1.397 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)ccc1F 581357928 STVBFZMFOFKVSU-MRXNPFEDSA-N 410.405 1.432 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)[C@@H]1n1cccn1 581748885 VJGJCRHNNVXQBF-KSZLIROESA-N 417.491 1.224 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)NCc3ccco3)cc21 586314609 QHHJWPYQJZTGDE-GDLZYMKVSA-N 416.455 1.439 30 10 HDEE COc1cc(OC)c(CCNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC)c1 586860569 KCSICIIOSQJOMZ-UHFFFAOYSA-N 415.421 1.698 30 10 HDEE CCOC(=O)c1cnn(-c2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c1C 590334010 ZJSCRFIKFPBAJU-UHFFFAOYSA-N 409.446 1.556 30 10 HDEE CCOC(=O)c1cnc(N2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)s1 610350913 XNVHFDPZYXDMMZ-UHFFFAOYSA-N 406.512 1.139 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)Cc3cccc(C#N)c3)cc2)CC1 610521234 JWKOWWMELZAJHK-UHFFFAOYSA-N 405.502 1.950 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 619502729 AJIKYESHUDFEHY-CMKODMSKSA-N 414.554 1.801 30 10 HDEE COc1cc(I)c(Cl)cc1C(=O)N1CCNC[C@H]1C#N 700984394 UMYMNSHDZIRAHJ-MRVPVSSYSA-N 405.623 1.891 30 10 HDEE CN(Cc1ccccc1C#CCN)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703978386 ODONAXRGPVMAOI-UHFFFAOYSA-N 411.483 1.055 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 729333982 FAMWUYOYWXGXGQ-CQSZACIVSA-N 419.453 1.902 30 10 HDEE Cc1ccc(C(=O)NCCCNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 731193264 BBIBMNANMKRZRJ-UHFFFAOYSA-N 410.496 1.442 30 10 HDEE CC(=NNc1ccc(F)cn1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 731321070 CPLMQGZWVFDTHS-UHFFFAOYSA-N 400.457 1.782 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CC1 734267597 LENLOLZGEOXXCM-UHFFFAOYSA-N 413.522 1.052 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cscn3)c2)CCN1C1CC1 737197525 FTRJSNOMPKTZHV-QGZVFWFLSA-N 411.487 1.859 30 10 HDEE CC(C)N1C(=O)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 742820403 YNIVIYIRPHKTAN-AWEZNQCLSA-N 420.535 1.362 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(OCC#N)cc1 749189422 VLDHAUQBFHUKGQ-VQHPVUNQSA-N 401.419 1.224 30 10 HDEE C#CCN1CCC(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 755155583 DGEKSAVCLXWIBU-UHFFFAOYSA-N 403.548 1.574 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)C1CCCC1 756911588 SJZFKLLRZQPKNJ-UHFFFAOYSA-N 407.511 1.536 30 10 HDEE COc1cc(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1OC 760086807 WEAWGHSIAJLGFB-FQEVSTJZSA-N 411.458 1.966 30 10 HDEE CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 764240412 IAZOKAFXURPRMA-PBHICJAKSA-N 405.524 1.967 30 10 HDEE C[C@H]1CCCN1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 769866947 XGZUFJMQCGINLY-WMQDPJMESA-N 400.526 1.640 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cnn(C=C)c2)c(=O)n1Cc1ccccc1 772275947 LZDBOVOIUCPXQT-UHFFFAOYSA-N 417.494 1.060 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774193860 AIXONHGRTHJNMJ-CVEARBPZSA-N 413.540 1.608 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NC(=O)c2cccc(F)c2C#N)cc1 778694016 WVNYDOBDDNVBEF-UHFFFAOYSA-N 415.406 1.524 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CSCN3C(=O)C3CCCC3)nc12 783524436 SMQJYEGIRZMTCP-CQSZACIVSA-N 401.448 1.441 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cnc3c(oc4ccccc43)c2=O)n1 790102374 HQROCRNOVXYQRJ-UHFFFAOYSA-N 419.441 1.648 30 10 HDEE C=CC[C@@]1(C(=O)N2CCCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790257645 OYNGJRZLHXPBLO-IBGZPJMESA-N 415.556 1.826 30 10 HDEE Cc1cc([C@H](CC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C)cc(Cl)n1 804820735 NRDFCELFIUWUEL-ZDUSSCGKSA-N 409.874 1.755 30 10 HDEE N#Cc1cccnc1NCCNC(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 806534656 FKWDZDBIBYINAK-UHFFFAOYSA-N 415.885 1.951 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@@H]1CCS(=O)(=O)C1 806805544 BAYPSUZXBUERGK-CQSZACIVSA-N 408.455 1.400 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 811960558 CNAMVEWLIVPOHX-KRWDZBQOSA-N 402.882 1.491 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2Cl)C1 816692545 QIAZFMJMGKDSPV-FZMZJTMJSA-N 415.899 1.481 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)OCC(=O)NC2(C#N)CCCCC2)cc1 825431086 OBDBJWSWMFVKPR-JXMROGBWSA-N 405.476 1.957 30 10 HDEE CCOCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916869628 YGTXWZBMNNRLBU-HKUYNNGSSA-N 417.481 1.858 30 10 HDEE COC(=O)CCCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 921045537 WWSFGQIWVKRYBG-OAHLLOKOSA-N 409.508 1.599 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1129749006 YGNIZYFAIWVPGS-RDTXWAMCSA-N 420.263 1.077 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H](C)[C@@H]2CN(C)CCN2C)nnc1-c1ccco1 1136874851 UTOZBHXHWUXSTR-HOTGVXAUSA-N 418.567 1.957 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCS(=O)(=O)CC1 1157720990 JGOPRDDSDRUWDY-AWEZNQCLSA-N 404.529 1.292 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1163025927 DWFWNBBUZBERPI-HKUYNNGSSA-N 420.531 1.978 30 10 HDEE COC(=O)c1ccc(NCCNC(=O)c2ccc(Br)cn2)c(C#N)n1 1163712081 WKWMYFJVXJXXOB-UHFFFAOYSA-N 404.224 1.739 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](O)CC3(CCOCC3)C2)CC1 1197245919 IWTMTYDSORDVLI-MSOLQXFVSA-N 418.563 1.320 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CN1C(=O)COc2ccc(Cl)cc21 1264321792 HLAHIMSMKNKXMU-UHFFFAOYSA-N 416.825 1.135 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)nn1 1276646039 BVANMKIOCFGHSP-LPHOPBHVSA-N 401.467 1.810 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCCc1cnn[nH]1 1282733658 VUOFOSNDIZYOLC-GJNTUIEKSA-N 401.511 1.747 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(C(F)(F)F)c1 1286361523 QCDKGHXMHBOHGJ-NSHDSACASA-N 416.429 1.420 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1286370911 BGXFHJOFDOYSJW-FQEVSTJZSA-N 419.533 1.829 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286386697 GBPJXBZWXOHAMM-OAHLLOKOSA-N 405.524 1.573 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1)C1CC1 1286734601 TVNSLFWZDWEGKN-HXUWFJFHSA-N 424.567 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1286785028 CJBXQVAOSMRQBN-OAHLLOKOSA-N 423.521 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1286787953 NDKFUCWRBKMQBV-DLBZAZTESA-N 401.467 1.993 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2COCCO2)CCOC1 1288303788 ZJNZTSUMYYDZEV-UWJYYQICSA-N 419.526 1.864 30 10 HDEE C=CC1(CC(=O)NC2CCN(CC(=O)NCCC)CC2)CN(C(=O)OC(C)(C)C)C1 1290862662 UIMUYPZYWMHHPU-UHFFFAOYSA-N 422.570 1.906 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C=O)cc1 1291833346 ZQRXBSVSKJRTOW-SPGGGKMGSA-N 406.508 1.839 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(NC(=O)OCC)ccc2F)CC1 1292889976 RVNLAAVJQRKENH-UHFFFAOYSA-N 404.442 1.291 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)CN2CCCC2=O)cc1B1OC(C)(C)C(C)(C)O1 1294895672 YFUHDXJAANIHAU-INIZCTEOSA-N 402.300 1.007 30 10 HDEE N#Cc1cc(NC(=O)CCC(=O)N2CCC(O)CC2)ccc1N1CCC(O)CC1 1294976391 OGSFNLCPIHIIHW-UHFFFAOYSA-N 400.479 1.221 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)cn1 1297369890 NNHPVPWFYNARGI-ZDUSSCGKSA-N 412.924 1.701 30 10 HDEE Cc1ccc(N(CCC(=O)N[C@@H](C#N)CO)S(=O)(=O)c2ccc(C)cc2)cc1 1297880720 SLXZGCSWKLZYIT-KRWDZBQOSA-N 401.488 1.890 30 10 HDEE C[C@H](C(=O)N1CCN(c2cnccc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1298660344 LZUIOHCXOZWMKG-YJBOKZPZSA-N 417.510 1.466 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(C)(=O)=O 1300368230 RMZHMLJKNKPHNA-UHFFFAOYSA-N 414.535 1.801 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1300401571 SCRJNOCNETVKGT-SFHVURJKSA-N 409.538 1.790 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@@H]1C 1300459842 JAPMPPSPUGHVOR-JKSUJKDBSA-N 416.551 1.980 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1C[C@H](C)O[C@@H](C)C1 1300649971 QPDUCODGJGFBNI-IRXDYDNUSA-N 403.527 1.804 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301175148 ZOUNPCFPEUDMSL-HZPDHXFCSA-N 421.571 1.972 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301259014 DXCIJTSDAJAIFV-QZTJIDSGSA-N 402.543 1.666 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1 1301383820 MWUJEHRRQDBUJY-FGTMMUONSA-N 402.543 1.907 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1nccs1 1301510089 SVOSGJAUIURCMP-UHFFFAOYSA-N 400.512 1.535 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@H](C(N)=O)C1 1301515358 SWJZDBSEQMVMQL-INIZCTEOSA-N 412.494 1.033 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1301555121 SRYYSBOEMZJQTM-ROUUACIJSA-N 419.526 1.596 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)Cc3ccc(Br)cc3C#N)C2)C1 1302637164 VDTBLQKAHFJXHX-QGZVFWFLSA-N 406.236 1.784 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1NC(=O)CC1(C)C 1302644264 RAWVKMCSHPEKQA-INIZCTEOSA-N 409.494 1.851 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1303335326 TUNHCTHMKUNYHW-SFHVURJKSA-N 423.477 1.817 30 10 HDEE Cc1cnn(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)c1 1304602843 DUPRZNMLSLFZHZ-OAQYLSRUSA-N 404.478 1.724 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C[C@H](C)O1 1305143247 OVNFMGFBPGUDOY-HOTGVXAUSA-N 424.505 1.712 30 10 HDEE CCCN1CC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1307037628 DEGNLHSNWDLUFB-SFHVURJKSA-N 407.522 1.875 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2cc(F)ccc2F)c1=O 1307379132 SEQFWFYXPDZAMK-UHFFFAOYSA-N 405.357 1.384 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCCC2)CCO1 1315011447 ASMJORJFVOHIJZ-IBGZPJMESA-N 423.521 1.254 30 10 HDEE COc1nc(N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)ncc1Br 1355039613 MBENHNNYXJAHKI-UHFFFAOYSA-N 417.267 1.406 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCSCC1 1355298645 AVKGCQIXCVPMRS-UHFFFAOYSA-N 419.532 1.433 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1358874560 YTHFXGOUNWVHFL-HRAATJIYSA-N 403.527 1.822 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358912246 MPIQJRVZLFFRCP-SJORKVTESA-N 409.556 1.841 30 10 HDEE C#CCCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1358936291 JUXJTVFWWKINSS-JTSKRJEESA-N 415.538 1.839 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCS(=O)CC1 1359050719 AAVNYIIRHYFQPF-UHFFFAOYSA-N 420.560 1.897 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1359157584 OEWSSZSYYGVZJF-HOCLYGCPSA-N 409.918 1.861 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCNC(=O)CC1 1359294546 WZOUITMOHXWPET-UHFFFAOYSA-N 420.420 1.175 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359297841 DOENWPMUXBFHSB-FQEVSTJZSA-N 400.483 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359333284 SRLOBVLYCKZXCK-UONOGXRCSA-N 412.512 1.582 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1360486536 QQCDHVNSBRDFLV-BBRMVZONSA-N 409.494 1.432 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[C@@H]1CCS(=O)(=O)C1 1435068222 FJLMKUIFEAXFLT-GQIGUUNPSA-N 410.536 1.673 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2c2noc(C)n2)s1 1447633908 SLWQSPQNGZZIAF-ZDUSSCGKSA-N 412.493 1.046 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 1452948400 UAYUGEFDCUWYTO-QGZVFWFLSA-N 410.455 1.559 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cn(CCO)nc1C1CCOCC1)C2 1456745696 UPHZDRMOEMOFTD-UHFFFAOYSA-N 401.492 1.483 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1461933300 OCVNFMDXWCRSBY-CQSZACIVSA-N 417.325 1.614 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cccc(C#N)n2)C1 1462718668 FAIQLURCSMALMN-CQSZACIVSA-N 408.480 1.107 30 10 HDEE COc1ncc(NC(=O)c2ccccc2S(=O)(=O)N2CCOCC2)cc1C#N 1462894046 BBUCJTZVOFFXPP-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cnc(OC)c(C#N)c3)C2=O)cc1 1462896556 YGQYKKNDZCPUMM-FQEVSTJZSA-N 409.402 1.376 30 10 HDEE CC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Cl)cc1 1462987190 CRNYQORXGGBBLN-ZVZYQTTQSA-N 409.895 1.304 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC 1464028323 PFBDVKPDAKTRSB-UHFFFAOYSA-N 415.439 1.587 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1F 1465705590 YGTRBNXTVRRLBF-UHFFFAOYSA-N 413.471 1.885 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1465708990 KWGFXRVUQSLBIA-QWHCGFSZSA-N 414.890 1.517 30 10 HDEE CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ccc(C#N)cc3)CC2)s1 1467825693 FECVLKSXZIMBMB-UHFFFAOYSA-N 419.532 1.560 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OCC 1471118645 PFFCHPKRZBRQPX-OAHLLOKOSA-N 413.883 1.683 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478900645 DMZLXLNRWJUOSH-OAQYLSRUSA-N 400.479 1.496 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCN(CC)C1CC1 1499140650 GLIXJGAWPCYAIR-UHFFFAOYSA-N 411.558 1.565 30 10 HDEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCCC1 1501586081 ATCKRJFWTWQYTB-CZIZESTLSA-N 424.509 1.974 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2nncn2C)CCOC1 1502660002 HSJUOIHXEJWBRE-LJQANCHMSA-N 400.487 1.237 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1503403748 SKWHMSISFMSKGS-QGZVFWFLSA-N 404.902 1.905 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1504887809 DUQMNDUAONMIES-YYIAUSFCSA-N 404.515 1.799 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1507589543 XUFTUHFKLJVZQB-IKGGRYGDSA-N 407.540 1.403 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC[C@]2(CCOC2)O1 1507641630 BPUPTFWXMJCBOY-NNMXDRDESA-N 416.522 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)OCC)CC1 1507739888 VWVVIYFTWWMWTP-SFHVURJKSA-N 417.554 1.953 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]1C 1507773728 VQBUGBCCWJLERF-OAFZBRQQSA-N 407.540 1.259 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1507968680 XROFFSRYECTFLH-RDJZCZTQSA-N 406.556 1.813 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)cc1 1508041302 LRTIINYOFVUYKP-GOSISDBHSA-N 412.494 1.875 30 10 HDEE C=CCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1[C@@]1(OCC)CCOC1 1508067107 JUEFQWAVGSNYAW-OAQYLSRUSA-N 409.494 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508142324 SJSBQJQDHVQUCI-YESZJQIVSA-N 410.540 1.246 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC=CCO1 1508417142 HWCKGHXFRFEVMR-MAUKXSAKSA-N 405.466 1.862 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)N(C)C1CC1 1510079047 DKJHMEPHYZQHBN-OXQOHEQNSA-N 421.505 1.940 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1512577484 BQSUVGFXGBNATF-HRAATJIYSA-N 413.478 1.495 30 10 HDEE COCc1nn(C)cc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1516183223 BTYQBOMREGJBPI-FXBPSFAMSA-N 405.480 1.632 30 10 HDEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)CCN2C1=O 1517413027 XUDUBTCGZOTDSW-IBGZPJMESA-N 423.521 1.925 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)[C@@H]1CCCO1 1517658179 UUSFRUWUOHTFIJ-XQQFMLRXSA-N 402.925 1.852 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccn(CC(F)(F)F)n2)c1 1518826672 MEAYSZVEYOABHQ-UHFFFAOYSA-N 420.391 1.932 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1519446103 BAIBUHHKJQUTJY-XGUBFFRZSA-N 413.425 1.155 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 1521263412 LEFMZIPRHSZCSJ-INIZCTEOSA-N 403.464 1.687 30 10 HDEE N#C[C@]1(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CCCOC1 1525421534 MGXNOVQUSAWZAL-HXUWFJFHSA-N 404.442 1.745 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2cnc3c(c2)NC(=O)CN3C)cc(OC)c1OC 1536337190 WPKIJXKQFFMWOH-AWEZNQCLSA-N 411.418 1.490 30 10 HDEE N#C[C@]12CN(C(=O)COc3ccc(Oc4ccccn4)cc3)C[C@H]1CS(=O)(=O)C2 1537005611 JYZNSLZDYYZKHU-MGPUTAFESA-N 413.455 1.649 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccn(CCN2CCNC2=O)n1 1538409219 XNEXHDXFAZYKKN-UHFFFAOYSA-N 417.267 1.724 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1538973664 PLPBGGDJLDSYRB-HUUCEWRRSA-N 408.572 1.221 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCO)c(OC)c1 1539003125 AFZJAGPXTZZLSE-ZBFHGGJFSA-N 413.478 1.115 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1539014232 LLMLYFQEHBRLPN-ZIAGYGMSSA-N 407.565 1.900 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C(C)(C)C 1539238480 YCAVSUCTCXTVRX-OAQYLSRUSA-N 401.511 1.165 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCO[C@@H]1C 1539331521 RVGYKOHPKNVFMK-XXBNENTESA-N 408.502 1.902 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(C)CN(C)C1=O 1539420109 BLPQFZDGAPNFNW-JOCHJYFZSA-N 411.506 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC#Cc2ccccc2)C1 1539819129 AYBORPGDRKAGMB-QGZVFWFLSA-N 406.504 1.579 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CCc1cnccn1 1540901276 YPCBXAFGJUSQJN-UHFFFAOYSA-N 413.507 1.410 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1541247537 CMAUZYCFEWPYKH-GOSISDBHSA-N 410.522 1.746 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C)(C#N)CC1 1541276625 IEUFKDCHJWWMSS-HNNXBMFYSA-N 401.515 1.522 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCS(=O)(=O)NC(C)C)n1 1543011279 FBERLNNKCLZQHR-AWEZNQCLSA-N 422.559 1.063 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 1544036250 RZCLEJOUFBGAAF-KBPBESRZSA-N 419.569 1.910 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1 1548336009 FUOWEUUVFWRYOJ-UHFFFAOYSA-N 418.527 1.195 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1555558452 URSMOXKUJCQKOQ-MGPUTAFESA-N 402.499 1.159 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@](C)(C(=O)OC(C)(C)C)C1 1556915196 HWLGBQNBGGOHCG-VLIAUNLRSA-N 421.519 1.805 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1558318426 ZWHGXYJTTKCLTJ-AWEZNQCLSA-N 409.464 1.145 30 10 HDEE COc1cn(C)nc1[C@H](C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1558536642 MUOGGQBMXIHYLT-RYUDHWBXSA-N 405.480 1.123 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccnn2C2CCOCC2)cc1 1558723524 VRYJISROQQWIJT-UHFFFAOYSA-N 403.464 1.679 30 10 HDEE CC(C)OC(=O)CNC(=O)[C@H](C)SCC#CCN1C(=O)c2ccccc2C1=O 1559425121 MDTKOJZJQKZYIJ-AWEZNQCLSA-N 402.472 1.476 30 10 HDEE N#CC1(C[C@H](O)CN2CCC(n3nncc3I)CC2)CC1 1560000291 SNYUXIAGIQCFSU-LBPRGKRZSA-N 401.252 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C[C@H](O)CC3(C#N)CCOCC3)C2)C1 1560139803 FYCMMSWPEBTENR-UTKZUKDTSA-N 409.527 1.770 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)C[C@@H]1CC[C@H](NC(=O)OCc2ccccc2)C1 1561506587 XZLVLFBBTSLFJL-CEXWTWQISA-N 408.520 1.775 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCCCC1 1584783327 JKPSKQVOZJNDHE-AWEZNQCLSA-N 401.529 1.905 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)[C@H](O)c3ccccn3)ccc2c1=O 1587169548 QDMTYAKIBGHZJC-IAGOWNOFSA-N 412.471 1.091 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1587568390 PSVOABHHRBGJSZ-XMSQKQJNSA-N 417.554 1.641 30 10 HDEE COC(=O)C[C@@H](C)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1587764104 XRGOCAJRZMMOPS-CYBMUJFWSA-N 408.296 1.959 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588074576 OYQBJAOXLADPLJ-KRWDZBQOSA-N 406.483 1.629 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCN(C)CCCOC)CC1 1588811353 HJZJSHWDMFXDJF-LJQANCHMSA-N 404.559 1.243 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1588812177 QOEMDHHSSKYLAN-AUSIDOKSSA-N 409.534 1.835 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(C)CN(C)C2=O)CC1 1588848821 NTGWWADZGAOYKH-HSZRJFAPSA-N 406.534 1.411 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C(N)=O)cc2)CC1 1588857514 OWVSYQDVAOUSEU-UHFFFAOYSA-N 406.534 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)N(C)C)CC1 1588929465 AGVOFXKZCSYCDR-AEFFLSMTSA-N 402.543 1.088 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1589089544 SRZDTVRNCXRKFF-GOEBONIOSA-N 416.576 1.715 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1589599939 PNLWLEUMUSSLLP-HOTGVXAUSA-N 421.571 1.750 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1593650087 KHVLPLSRQNOUJD-IBGZPJMESA-N 423.565 1.973 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1594807069 CQKZPRSOTMAQMS-GRXQJBFDSA-N 419.526 1.595 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 1595466328 HSYLWFARFSONDM-GOSISDBHSA-N 410.522 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@@H](C)C1 1595537531 SGHIDJZPYQUZOR-GASCZTMLSA-N 421.505 1.586 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC=CCC2)CC1 1596283464 ZOYGEDSLQRLKRW-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1596930537 JGKOKINAAISIJR-OAHLLOKOSA-N 412.490 1.685 30 10 HDEE C#CCN(CC(=O)Nc1cnn(C)c1I)C(=O)OC(C)(C)C 1597354914 HXIHUHSGNSGDSG-UHFFFAOYSA-N 418.235 1.834 30 10 HDEE CC(/C=C\C(O)=C1\C(=O)CNC1=O)=C\[C@H](C)[C@@H]1O[C@@]2(C)O[C@@H](C(=O)[C@@H]3O[C@]32C)[C@@H]1C 1615813549 URGUBECARCAPRI-MTNUQKKPSA-N 417.458 1.513 30 10 HDEE biogenic N#C[C@@]12CN(C(=O)c3ccc(S(=O)(=O)C4CCC4)cc3)C[C@H]1CS(=O)(=O)C2 1617488008 VMTPQLLEYJSTRJ-KSSFIOAISA-N 408.501 1.023 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CCO1 1618694784 XWYQPVVVIBVFOZ-INIZCTEOSA-N 400.508 1.521 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOC1 1619899588 CECALHWQIWXMKJ-MOPGFXCFSA-N 424.505 1.790 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCN(C)C1 1619914051 VSGMJLOMKJEGHF-LJQANCHMSA-N 419.555 1.067 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)n1 1626713585 KPCAMEXOAUQPPN-NRFANRHFSA-N 420.510 1.517 30 10 HDEE C=CCN(C(=O)[C@H](Cc1ccncc1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1630846844 FJQGRZVEUBMPGP-IRXDYDNUSA-N 423.535 1.719 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@@H]1CCC[C@H]1C#N 1631882390 IAGONHJQQVMWIP-GOEBONIOSA-N 407.492 1.667 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(OCc3ccncc3)cc2)CC1 1632624328 RGEDXORBSNXDAC-UHFFFAOYSA-N 420.513 1.487 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1633132245 AKWZKKABGDFRDU-UHFFFAOYSA-N 414.487 1.414 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(C(=O)NCCO)cc2)CC1 1633184039 DZWUHNXSBKQJDA-UHFFFAOYSA-N 415.490 1.998 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1F 1634961158 LVQZESYBWFVCEX-MVZUJROASA-N 421.400 1.992 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1635809906 HGCLXBQCEFVUIW-GOSISDBHSA-N 422.890 1.308 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CCO2)cc1 1636289460 RXUSTJNZHQGWFE-QGZVFWFLSA-N 411.439 1.303 30 10 HDEE N#CC1(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCOCC1 1636743126 DJIVTUBNZQQNRU-UHFFFAOYSA-N 412.534 1.794 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1636838537 CTDARHNMEKTTCO-GJZGRUSLSA-N 416.503 1.091 30 10 HDEE O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N[C@@H]1CCN(O)C1=O 1637460895 ZLCPFIHTTAEHBW-OAHLLOKOSA-N 410.459 1.528 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)s2)cc1 1639430883 MLGOZQUOIXDWJZ-UHFFFAOYSA-N 407.473 1.391 30 10 HDEE C=C(C)CONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1640652835 OORWVKBMBRBFAR-UHFFFAOYSA-N 400.453 1.481 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)cnc21 1643523820 KATCQKJXNPJHPN-UHFFFAOYSA-N 405.414 1.341 30 10 HDEE COCCN(CC#N)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 1646032421 QXMUXIZFUZIADH-UHFFFAOYSA-N 400.401 1.952 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCN3CCOC[C@]3(CO)C2)cc1 1647080849 IXODSOQFJPCDEM-HSZRJFAPSA-N 407.470 1.656 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]([C@H]2CCCO2)C1 1648399740 NTUPXDCPFKCGIF-IXDOHACOSA-N 407.492 1.160 30 10 HDEE CON=Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1648458880 QWFKMMULLNAGPI-WUJZJPHMSA-N 408.476 1.296 30 10 HDEE COCCn1cc(CNC(=O)c2cn(CCCC#N)c3ccccc23)c(O)nc1=O 1650868503 AFKPHHCOYINCEZ-UHFFFAOYSA-N 409.446 1.784 30 10 HDEE COC(=O)[C@](C)(CO)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1654664051 AQLNRKNOXDYLQX-NRFANRHFSA-N 416.453 1.616 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCO[C@H](CS(C)(=O)=O)C1 1655740654 ZLTANQBZYVSJIZ-CABCVRRESA-N 411.549 1.765 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)C[C@@H]2CC[C@H](NC(=O)OCc3ccccc3)C2)CCO1 1661359659 AYRFMVZZPSNION-FGTMMUONSA-N 407.492 1.636 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCn3c(nnc3C(C)(C)C)C2)c1 1663252812 UVNZGFRKPWBWNP-UHFFFAOYSA-N 403.508 1.696 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@@H](O)c3ccnn3C)CC2)c1 1663270195 NDBGIFHTUHAJBR-LJQANCHMSA-N 418.519 1.470 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)C1 1671357995 KKTQLBSGAADXAV-KRWDZBQOSA-N 420.535 1.699 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)CC1 1677105231 DBHQBQCHFPVKKZ-UHFFFAOYSA-N 400.531 1.203 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N(CCC)CCC)cc2)CC1 1679011106 SYSZGVHQVFYFJA-UHFFFAOYSA-N 421.567 1.930 30 10 HDEE COc1ccc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccco2)cc1 1683220680 IOLPIRVJTXGVQF-ZAAXVRCTSA-N 415.471 1.957 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1689897586 BJMLRVCOYOLFDZ-UHFFFAOYSA-N 416.551 1.732 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1689907703 IWEUEKVGWYFOSO-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC1CCCCC1 1689972450 PWSMKBDJJQRAGH-UHFFFAOYSA-N 414.535 1.788 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1CC(=O)N(C)C 1690001978 WOAZGKBZQUISHM-QGZVFWFLSA-N 409.490 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccsc1 1690052913 ULQCBYTWSDRCTB-OAQYLSRUSA-N 411.531 1.833 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1690122104 GKYRMTTUKQBMIF-UHFFFAOYSA-N 409.481 1.742 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC)[C@H](C)C1 1690246554 VMACZYGEYHLZMK-VXNCWWDNSA-N 402.543 1.741 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1705493974 REUPOXXSEOFXQK-MSOLQXFVSA-N 414.554 1.722 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCSC2)CC1 1705637395 VKKKQOTVJWXCHL-OAQYLSRUSA-N 408.531 1.440 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1705639802 WUFQGBYBRIXXAD-QGZVFWFLSA-N 418.542 1.452 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1710114071 RYQFRNHQXOCRCI-ZFWWWQNUSA-N 422.511 1.407 30 10 HDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(=O)NC)cn1 1710188407 DVSMGTYRWFGSEW-UHFFFAOYSA-N 422.493 1.566 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711264040 DRFTZUYSTIKBLA-KDOFPFPSSA-N 421.502 1.007 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CC(OCC)C1 1722297972 RVGJFLOOQJGTJR-FVYSKSNYSA-N 408.506 1.905 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1722304854 AHHVUTLPKUFNQE-HVTWWXFQSA-N 419.570 1.959 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1722321671 JKUHKNKZIDELMP-UHFFFAOYSA-N 408.510 1.353 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722335629 VKTZYKOOFBSWFX-GOSISDBHSA-N 421.549 1.466 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCC(=O)N(C)C 1722350341 WBJOROGYDNBBSF-UHFFFAOYSA-N 417.539 1.176 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1722368985 XMNOLVIFJYNXIU-IAGOWNOFSA-N 404.492 1.440 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1722376899 HLMWVWPPZHSKRP-QFIPXVFZSA-N 407.474 1.513 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCOC[C@H]1OC 1722385017 XNIIJWZTQJIDMT-WMQCIHAUSA-N 422.485 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)N(C)CC 1722392288 JPCZZRICRQTURG-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)OC 1722425042 KBKHLFBMMORNSK-HNNXBMFYSA-N 420.539 1.359 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@]2(O)CCO[C@@H]2C)n1 1722430176 ZTCRXTIRNDFVEE-IERDGZPVSA-N 414.510 1.178 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2c(CC)noc2C)CC1 1722430730 IWZLSCSBOKVGLI-KRWDZBQOSA-N 416.526 1.664 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)[C@H](C)CCC)CC1 1722438404 QVNBXYSXZMHVOB-GOSISDBHSA-N 423.565 1.956 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1722592996 FAKSXSSVTGFHQC-IERDGZPVSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCc1cnccn1 1722694106 LNUMGTCSEMCBCW-UHFFFAOYSA-N 402.462 1.588 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC)C1 1722714804 LXJQABWQCMUGCT-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1723823781 AMBBRQBDFINPHO-FXAWDEMLSA-N 420.521 1.928 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@]3(O)CCCC3(C)C)CC2)c1C#N 1725860509 CRFHJNBJMXOVGH-OAQYLSRUSA-N 412.542 1.768 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC1CC1 1727568411 FJFXOVXYECXDQR-UHFFFAOYSA-N 416.507 1.200 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CC#N 1729203584 GEBHOHICHJGXEZ-AWEZNQCLSA-N 419.507 1.889 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1729240268 VXHBNZHCDVRWKV-LJAQVGFWSA-N 418.523 1.904 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)OC)CC1 1740594004 YGASFBDCTPUWHR-UHFFFAOYSA-N 407.478 1.818 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1740768200 HBIDRIOWTSRGBI-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740782236 ILVSSIRGEWDRII-QZTJIDSGSA-N 402.543 1.491 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1740890238 VSSLDVKPKLQMQI-UHFFFAOYSA-N 413.469 1.967 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740945227 QBRXCTPLBXSEBQ-QGZVFWFLSA-N 405.462 1.769 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1cnccn1 1740990525 VIIURTDRIAYMLQ-UHFFFAOYSA-N 413.507 1.676 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(F)c(F)c1F 1741678462 FJIXKQPDPKIKME-CYBMUJFWSA-N 422.411 1.805 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1742179253 CCFGGCWEEAXRKK-RDCVWBNRSA-N 409.450 1.969 30 10 HDEE CC[C@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1743853137 HGMUINOPMJMXKA-LSDHHAIUSA-N 411.576 1.359 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOCC(F)F 1744688818 FMOMFSXZBUIXBC-UHFFFAOYSA-N 422.484 1.753 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1)C1CC1 1747660090 IDSDBKUEEWDNFF-UHFFFAOYSA-N 403.446 1.870 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1747666658 ZTMIDHQEGVCART-UHFFFAOYSA-N 407.482 1.344 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1748045635 JIIVNBCLQYTOQS-QZTJIDSGSA-N 403.849 1.914 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1748663843 AKERTVQOXYAALU-HNNXBMFYSA-N 404.474 1.997 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1748730548 NTUNTIMDUQPEDC-UHFFFAOYSA-N 424.505 1.498 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1748730962 WIVDCFCPWQAZCZ-KRWDZBQOSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(CC)CC)CC1 1748731390 BWCRZJKEQCOSRV-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1CCCO[C@@H](C)C1 1748765322 CJANQVOBZWVXEL-KRWDZBQOSA-N 404.559 1.767 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@]1(N2CCOCC2)CCSC1 1748839591 YTVZYBMDPIYFNU-QFIPXVFZSA-N 422.558 1.621 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCNC(C)=O 1748906177 QHUNGWMTBPZZLR-UHFFFAOYSA-N 416.913 1.847 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C(C)C)C(C)C)CC1 1748986613 DHGQUFXPKHMLTD-UHFFFAOYSA-N 412.586 1.943 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCN2CCOC(C)(C)C2)CC1 1748991038 PAMCLHLBMYRHPK-UHFFFAOYSA-N 400.571 1.802 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1749043781 KRWAWKBKIZDMGV-UHFFFAOYSA-N 410.547 1.954 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1749118473 GPWUWVXDHJKOAG-MJGOQNOKSA-N 404.559 1.641 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749459929 WDVSILQXNOYNRF-GJZGRUSLSA-N 405.455 1.107 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)OC)CC1 1749655674 OVHVJDCAZHRWFD-UHFFFAOYSA-N 414.466 1.144 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCCNS(C)(=O)=O)C1 1749700018 GEUODEFOZXWCJA-HNNXBMFYSA-N 409.512 1.567 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCSC2)cs1 1751777631 SWGVGJUKOQKHGT-DLBZAZTESA-N 408.528 1.944 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@@]2(O)CCN(C)C2)c1 1760128503 JYPARWNDYCRKGP-JOCHJYFZSA-N 408.506 1.278 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCCn1cc(CO)nn1 1760163990 HDQIPYWKHMCECG-UHFFFAOYSA-N 405.506 1.992 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC1(O)CCOCC1 1760172857 BHJLYLXUGVJBQZ-UHFFFAOYSA-N 418.519 1.350 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1760178298 GWNBSLCOLPOIKV-QGZVFWFLSA-N 413.503 1.623 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NC2CCCCC2)CC1 1760257783 JJCKBNIYUAHHTG-UHFFFAOYSA-N 409.538 1.867 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)C(=O)NCC)CC1 1760261939 DZCGHXDBSUQPAL-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC[S@](=O)C(C)(C)C)CC1 1760262926 GYEYDUMGNGFVER-LJAQVGFWSA-N 414.579 1.566 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1760489206 PKPGEGHKYZIHKX-JKSUJKDBSA-N 409.556 1.883 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760522287 QBWZWSKRKFJDGJ-NRFANRHFSA-N 415.542 1.654 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(CCOC)[C@H](C)C1 1760525710 OCNVIMQGQPQKOO-MRXNPFEDSA-N 418.567 1.390 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1760528755 LNILYPVMGUDYQE-QGZVFWFLSA-N 422.533 1.752 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760565670 CDYGUDVPQMRIDA-QZTJIDSGSA-N 407.584 1.860 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1=O 1761120876 DTUAGCZJWJPGDZ-UHFFFAOYSA-N 423.521 1.600 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccn(C)n2)CCOC1 1761282309 AOQZGDXKCZZHGT-MOPGFXCFSA-N 403.462 1.542 30 10 HDEE C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1761393058 FBMRFXFURODIKL-DGCLKSJQSA-N 408.304 1.715 30 10 HDEE CCOC1CC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1766111550 AEOLFMOVWQKCAN-MYBQVCMBSA-N 423.539 1.114 30 10 HDEE CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)CCC1 1767187520 GCYRQSRTYRJYAY-OAHLLOKOSA-N 424.509 1.970 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ccc(C#N)cn4)CC3)n2CCCCCO)cn1 1767461064 OWEIOQSZTXAINH-UHFFFAOYSA-N 421.509 1.434 30 10 HDEE CCOCc1nnc(N(C)Cc2ccoc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1767766641 KDYVPVKPOKBCTL-HNENSFHCSA-N 414.466 1.879 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(C)=O 1768972874 LIAHBKUKAYRFCU-HXUWFJFHSA-N 416.457 1.834 30 10 HDEE COCC[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769562542 CMZURBYMUMNZCX-OAQYLSRUSA-N 412.494 1.553 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1769588190 VOWKWDXDKVYPIC-VFNWGFHPSA-N 410.478 1.480 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)c1nccs1 1770052740 UQCRNXYKIVCLQP-RRFJBIMHSA-N 406.512 1.991 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)c(OC)c1 1770087026 OAOWHBAOGHKIHU-INIZCTEOSA-N 401.467 1.854 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1771543370 CUZWPKZNEBYXAR-SJORKVTESA-N 423.539 1.116 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1cccc(F)c1)C(C)C)[C@@H]1CCN(C)C1=O 1849206121 YXFUGNPTKNCJQZ-IAGOWNOFSA-N 411.499 1.374 30 10 HDEE C=CCN(C(=O)[C@H](C)n1nc(-c2ccc(OC)cc2)ccc1=O)[C@H]1CCN(C)C1=O 1849757322 HIONPGKHHLWYJA-KXBFYZLASA-N 410.474 1.725 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H]3CCCCN3S(=O)(=O)c3ccccc32)CC1=O 1850617031 FWIDKJIWXVNABI-GDBMZVCRSA-N 417.487 1.138 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(Cc4cccnc4)CC3)C2=O)c1 1854201883 FZZFFOCDIGRROV-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2=O)CC1 1854725027 SZPUVGYLSXYRQD-HOTGVXAUSA-N 402.520 1.758 30 10 HDEE CC1(C)CC[C@@H](N2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)C1=O 1854982350 XROUGFFOBCZZSG-ZWKOTPCHSA-N 409.490 1.070 30 10 HDEE Cc1c(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cnn1-c1ccccc1 1855073965 KLVPEZYSEBNEQP-IBGZPJMESA-N 406.490 1.453 30 10 HDEE Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c1 1856058927 UCYPEXUYQXNCSX-HNNXBMFYSA-N 407.492 1.374 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)c4ccsc4)C(=O)C3)C2)cc1 1856097980 APMCINXABXLCCK-LJQANCHMSA-N 422.510 1.861 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CCc3ccccc3)CC2)OC1=O 1856212320 VAXWCEAIIQLFTJ-KRWDZBQOSA-N 405.476 1.532 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856318584 WTERFRZASZIIHM-MJGOQNOKSA-N 409.490 1.275 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CCN([C@H](C)CCC#N)CC3=O)CC2=O)cc1 1856403836 CIWKTNBTMBCXAY-SJORKVTESA-N 412.490 1.801 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1 1856537771 RMPYBRMAMFVKDK-FQEVSTJZSA-N 408.502 1.215 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCN(c3ccc(OC)nn3)CC2)CC1=O 1856662796 UUBPUOMDQFRFTC-IRXDYDNUSA-N 401.511 1.585 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3c(F)cccc3F)C2)CC1 1857021045 ZWODHAUIIMOXPF-CYBMUJFWSA-N 411.430 1.519 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857361425 XQEIYPLRUZZLCB-LJQANCHMSA-N 417.531 1.776 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)CCc1nn2c(C)nnc2s1 1868898056 IZBBITHGMKDKCZ-CQSZACIVSA-N 422.580 1.865 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(F)cc2)c(=O)cc1CN1CCN(C)CC1 1870732388 FCLSPPTUUMXBFF-UHFFFAOYSA-N 414.481 1.938 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCOC)ncnc21 1875228263 HVGGYYDVEWOITJ-UHFFFAOYSA-N 405.499 1.801 30 10 HDEE N#Cc1cc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)ccn1 1890666372 MGKXEZXIUONCGC-UHFFFAOYSA-N 410.388 1.165 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H](CNC(=O)C#CBr)C(F)F)CC1 2017408790 RSYUADKSFBEKSJ-LLVKDONJSA-N 410.259 1.645 30 10 HDEE C#CCO[C@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc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c3ccccc3C2=O)C1 2241943676 IUNVJAJOOPRPRP-INIZCTEOSA-N 415.446 1.825 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(=O)O)C1 2247281158 GYNRJGOZHKRUIG-UHFFFAOYSA-N 419.287 1.867 30 10 HDEE Cc1nn(C)c(C(=O)N(CC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247845449 QXNWPLXESHCECZ-UHFFFAOYSA-N 412.299 1.155 30 10 HDEE C[C@@H](CCOCc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247846919 OOBXUZJLDCFWMQ-HNNXBMFYSA-N 414.315 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247928036 VTOQJLOSGRLEHO-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@H]4C[C@@H]43)cc2Cl)OC1(C)C 2267352159 BNDATWLKCBXHOE-QWRGUYRKSA-N 404.750 1.436 30 10 HDEE Cc1nc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267486655 LVZFRGXUZWNLOQ-ZDUSSCGKSA-N 408.329 1.976 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2281788832 HDGVZIGKVSMHHE-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CN([C@@H]1CCC[C@H]1CN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344532 VZETXTCLQXVIFQ-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@@H](N)C2)OC1(C)C 2282493438 UGXZGDYRZOFWHW-VXGBXAGGSA-N 400.737 1.797 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2282502644 OEBRSRGYVFHBRM-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)O 2282511854 PGPARUZVPLKZPJ-SJCJKPOMSA-N 401.359 1.829 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282828456 OOJGQGGKYTTWNG-RUZDIDTESA-N 405.322 1.172 30 10 HDEE COCCOC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282859838 RFYJEMFYLMKBRG-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE COC(=O)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866434 JBDHLKCWHKRVJQ-UHFFFAOYSA-N 403.693 1.481 30 10 HDEE CC[C@H](CO)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876958 KWKJXTINGINRGZ-LBPRGKRZSA-N 403.737 1.936 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(O)CCSCC2)OC1(C)C 2282879006 NKKPGZYWWLNCAP-UHFFFAOYSA-N 419.399 1.584 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](F)C(=O)O 2284407793 PDKORAXGZQPKPZ-SKDRFNHKSA-N 407.294 1.384 30 10 HDEE COC[C@H](CC(=O)O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2284426851 RSSMBJDRKXKOEJ-VIFPVBQESA-N 403.693 1.920 30 10 HDEE C[C@@H](O)CN(C1CCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2288009252 AILJFBOORPRZEG-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE C#CCOCCN(C)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316814742 FFJWDYVXFTZOQJ-UHFFFAOYSA-N 406.504 1.754 30 10 HDEE C[C@@H](C#CC(=O)O)NS(=O)(=O)c1ccc(Br)cc1Br 2341186390 PEGJLDKIYKUFPE-ZETCQYMHSA-N 411.071 1.966 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2342045465 SUWKMSLOMMFJLY-ZIAGYGMSSA-N 407.469 1.834 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](O)C[C@H]1C(F)(F)F)C(F)(F)F 2361428073 UPGSXDFWJCMTHV-QIOHGKGESA-N 404.229 1.900 30 10 HDEE COCCS(=O)(=O)CCNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2364917060 BTPFOPABMFIJSJ-UHFFFAOYSA-N 404.725 1.507 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)CCCOC1 2365197799 XFCPFYJUVGOGOT-KXBFYZLASA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2365198555 GRSKYSNYUYAJGR-XHSDSOJGSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 2365204738 OTXKWRMZQJTPQE-CLCXKQKWSA-N 402.557 1.409 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2365210973 KBWWPHMTAHATOP-QLFBSQMISA-N 402.557 1.407 30 10 HDEE COCC[C@@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367786106 GRRBETRWKHUGLN-HNAYVOBHSA-N 400.541 1.701 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367822226 DOJILHAOBJKRKN-BEFAXECRSA-N 400.541 1.307 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 247651287 NEXIIVDTMREPFL-UHFFFAOYSA-N 420.517 1.546 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 409488113 XVALDBJJPDKFRX-RDJZCZTQSA-N 414.915 1.308 30 10 HDEE C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)n1cnc(C#N)n1 409721083 PMWJAHWOXALMMF-LPHOPBHVSA-N 402.458 1.755 30 10 HDEE N#Cc1ccc(NC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)c(Cl)c1 426127230 HWTUDDYQEOMIAV-UHFFFAOYSA-N 413.869 1.862 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 429471216 NUWLMSWRHVGJGV-CCKFTAQKSA-N 409.490 1.928 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 432902581 SUFXEOLPCJERKT-UHFFFAOYSA-N 413.547 1.744 30 10 HDEE CC(C)C[C@@H](CCO)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 443691149 HFDOPBIOPGXTLT-QGZVFWFLSA-N 422.551 1.619 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1cccc([N+](=O)[O-])c1 443748666 WDZRZPDNGGPENL-CYBMUJFWSA-N 402.436 1.297 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](c3cnn(C)c3)C(F)(F)F)CC2)c1C#N 446463888 NTQRBIKYQKLCMJ-AWEZNQCLSA-N 410.404 1.469 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)c2)cc1 447747028 RYPMJDCTEHIZOJ-QFIPXVFZSA-N 404.426 1.951 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cn1 462090852 QXZZHAFWSPJZAT-PYTWLRIVSA-N 417.429 1.068 30 10 HDEE C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466768180 VTLWPBHYJXTPTN-MAUKXSAKSA-N 417.535 1.057 30 10 HDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 471889761 PLEGRKUXXPQHKU-UHFFFAOYSA-N 418.441 1.362 30 10 HDEE C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F 478137059 PFHFOIQQMRYWJZ-GFCCVEGCSA-N 411.480 1.868 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 478395320 UUHDHYXOHSUALB-LJQANCHMSA-N 402.539 1.892 30 10 HDEE CCN(CC)CC1CCN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 490738093 BRHLUCAMECCICQ-UHFFFAOYSA-N 423.521 1.717 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@H]1CCCOC1 504278022 BCLXYUBIHGNJBN-WBVHZDCISA-N 406.508 1.389 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CC(=O)OC)C1 508815048 XSNBVEQAMFNKNZ-OAHLLOKOSA-N 402.451 1.917 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@@H]3CCCOC3)cc2C1=O 511672997 GDXVXLXZUJNEJB-RHSMWYFYSA-N 400.431 1.557 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)CC1 516325609 OIPPKWCRDWRTEW-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(C(=O)NCc3ccccc3)CC2)nc1 516508665 MPXXWRVAMSCYQA-UHFFFAOYSA-N 412.515 1.755 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 546168153 AMCHRQCKNCDEGL-UHFFFAOYSA-N 408.418 1.330 30 10 HDEE CC(C)[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 546197696 BAOAKGPVCJGVNX-HXUWFJFHSA-N 417.469 1.923 30 10 HDEE CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCCn1cnc(C#N)n1 553958905 FZGBDEVWVCBXJE-VQIMIIECSA-N 410.526 1.795 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 555254966 ZIIKUAKXGUZUQC-CQSZACIVSA-N 407.544 1.582 30 10 HDEE N#Cc1cc2c(nc1N[C@H]1COC[C@@H]1n1nc(-n3cccn3)ccc1=O)CCCC2 585631531 LBTMHKZENWNYGI-ROUUACIJSA-N 403.446 1.626 30 10 HDEE C=CCN(CC=C)C(=O)NCCCNC(=O)CCCN1C(=O)c2ccccc2C1=O 586462027 ZYTBKHYQPPFYAK-UHFFFAOYSA-N 412.490 1.953 30 10 HDEE COC[C@H](NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 586845954 HJVQVFWHESWORZ-IBGZPJMESA-N 407.474 1.542 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)n1 588021248 JDCXEGBSGQNULA-GOSISDBHSA-N 414.425 1.173 30 10 HDEE N#Cc1ccc(CNC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(F)c1 611562652 YNAZXRLLJLLKFH-UHFFFAOYSA-N 414.462 1.984 30 10 HDEE N#Cc1ccsc1NC(=O)CCN1CCN(c2ccccc2S(N)(=O)=O)CC1 615456523 HRICXRDEUBYBKD-UHFFFAOYSA-N 419.532 1.418 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](NC(C)=O)C1 670204439 PPTCMUFJMCWROW-OAHLLOKOSA-N 402.524 1.951 30 10 HDEE COC(=O)[C@H]1CN2CC[C@@H](C2)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725393003 OYMIOUASLBAVDD-PKOBYXMFSA-N 400.328 1.665 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 729333874 AWWCLQQBOSXCTE-HZPDHXFCSA-N 421.494 1.719 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)c1 729426644 WZWGUPQCCUCEMG-DLBZAZTESA-N 408.545 1.725 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H](CN2CCCCCC2)C1 732464969 AVZYDYXRTBJDBL-NHKNDPDJSA-N 403.527 1.810 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N[C@H]2CCCS(=O)(=O)C2)cc1OC 733956438 HHNDJZMGNXQGLG-INIZCTEOSA-N 412.508 1.918 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CNC(=O)NCc1ccc(Cl)cc1 734292773 VSEOSKNSNFMKER-UHFFFAOYSA-N 420.878 1.824 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(C#N)cc1 740205203 SUKPOFSYRROJQY-SFHVURJKSA-N 416.455 1.721 30 10 HDEE NC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1Cl 746236318 FUIAOXVEFPFFIT-RDCVWBNRSA-N 404.854 1.017 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 747382156 TXIFDVSUZGQGSY-ZBQKJFDRSA-N 410.521 1.359 30 10 HDEE C#CCCNC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 758798767 ZGKHJRWEVXKADD-IRXDYDNUSA-N 406.527 1.947 30 10 HDEE Cc1nnnn1/C(=C/c1ccccc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 760777621 MHMFFNDJVSPMNU-XMHGGMMESA-N 400.446 1.595 30 10 HDEE CC[C@@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CCN1CC(F)F 765714643 GFLWAFJYGRBNFW-OXQOHEQNSA-N 405.449 1.944 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OC[C@H]3CN=C(c4ccccc4)NO3)cc2C1=O 768815481 YUIVZARUWXYRRB-MRXNPFEDSA-N 405.410 1.976 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 771589185 IXUOLIBIUDUTJK-NRFANRHFSA-N 408.543 1.613 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 772906309 SRIGEHCRVAAVIW-FKEVTRRJSA-N 424.379 1.997 30 10 HDEE O=C(O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 776620591 QJUGWHMPZJJZHF-UHFFFAOYSA-N 407.492 1.751 30 10 HDEE Cn1ccnc1[C@@](O)(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(F)(F)F 780398644 OVQBTLQGHDNXHE-SJORKVTESA-N 418.416 1.938 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@](F)(C#N)C1 787376670 OFWFBPIASQWSCU-MAUKXSAKSA-N 411.455 1.180 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C)(O)[C@@H](N2CCN(c3ncccc3C#N)CC2)C1 787685587 FJRIFCBDDWKKRX-UWJYYQICSA-N 401.511 1.836 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)n1 789211975 XITOEDFVALBERM-MRXNPFEDSA-N 405.499 1.541 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@]2(C)CCN(Cc3ccccc3)C2)CC1 798482418 VIPJOJALHUROSB-HSZRJFAPSA-N 413.566 1.528 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H](C(F)F)C1 801417453 AUZFHRPOSVHNQD-UONOGXRCSA-N 415.462 1.776 30 10 HDEE C=CCc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc(OC)c1OC 805250169 OBOUHGJBBBJPTA-MRXNPFEDSA-N 411.524 1.433 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@@H]1C 809929480 WGTPBNUUMKTKTE-GJZGRUSLSA-N 420.514 1.439 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cncc(C#N)c3)cc2F)CC1 813981950 NXYFIRLMSHPAAE-UHFFFAOYSA-N 417.466 1.353 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2cc(C#N)cc(N(C)C)c2)C1 814574036 XPDKETGNELRCLZ-LJQANCHMSA-N 402.495 1.254 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CN2CCCC2=O)C1=O 917680207 GTPZAXJDZIJEDX-DOMZBBRYSA-N 406.483 1.904 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nc1 1116870545 BJZVWEBOGKAQTB-MRXNPFEDSA-N 420.429 1.499 30 10 HDEE COc1cc(Br)c(N)c(C(=O)N(CCC#N)CCN2CCOCC2)c1 1136458124 SPFMWXBYBIPWNV-UHFFFAOYSA-N 411.300 1.728 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@@](C)=O)CC1 1136900230 TZNQMVBPRATXHM-IYJVBRSBSA-N 407.964 1.545 30 10 HDEE Cc1cc(NCCNC(=O)Cc2ccc(Br)cc2C#N)n2ncnc2n1 1137126069 XMNZUSDJFVZSOT-UHFFFAOYSA-N 414.267 1.838 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2C[C@@H]2CCOC2)s1 1142999113 UNDVSWFUOZUIHY-ZDUSSCGKSA-N 410.521 1.627 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1146354186 OHKZVKIDWJWCFR-SFHVURJKSA-N 414.506 1.595 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC(C)(C)CC#N)cc1 1161259482 GJEIRXYWPOBGQD-SJLPKXTDSA-N 407.536 1.990 30 10 HDEE COCCN1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1162618966 HMANLDIBRBGFQI-KRWDZBQOSA-N 421.339 1.984 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1162686459 HINHMWWEVJYIIO-ZIAGYGMSSA-N 403.508 1.795 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCOC[C@]2(CO)C1 1176524812 VALUDFGPLUHDOI-OXQOHEQNSA-N 404.536 1.398 30 10 HDEE COc1c(C)[nH]cc(CN(C)CC(=O)Nc2c(C#N)cnn2-c2ccccc2)c1=O 1196637604 BJAYHNLYASZWTE-UHFFFAOYSA-N 406.446 1.820 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)c3cnnn3-c3ccccc3)C2=O)cc1 1211727192 DRJKSBACOPTKLK-SFHVURJKSA-N 422.470 1.218 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2c(I)cnn2C)cc1 1213492746 GFHJNPQGSHQRIS-UHFFFAOYSA-N 401.229 1.485 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)CCCO2)cn1 1251446276 LDRZQSPQYHWGTM-GHTZIAJQSA-N 409.494 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259113635 IOCQOCYGGXZFMP-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC[C@H](O)C2)CC1 1286489964 IROUESQIOOGHQE-HKUYNNGSSA-N 422.533 1.857 30 10 HDEE C=C(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1)c1ccccc1 1286616742 CCRAPKKZAKXVDC-RBUKOAKNSA-N 411.506 1.837 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCOC1 1286780848 JHRWCCYNAYYVRN-HNNXBMFYSA-N 413.482 1.090 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286784400 GNTQWYWCSRZYAN-BBRMVZONSA-N 414.897 1.616 30 10 HDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1)N(C)C1CC1 1288651119 DZQFEGMBPLNPBL-GUXCAODWSA-N 420.583 1.793 30 10 HDEE Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1nc2n(c1C#N)CCOC2 1289682595 ADTUGFGDTVJZBR-UHFFFAOYSA-N 417.491 1.923 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1290145799 NRAUMZNCFFNYSE-WBVHZDCISA-N 409.494 1.904 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C2CS(=O)(=O)C2)CC1 1293138435 VRGZFQPPHUJNAY-OAHLLOKOSA-N 412.309 1.203 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](O)Cc3cccc(F)c3)C2=O)cc1 1298572561 MNNNWLAMRMPZEG-RTBURBONSA-N 424.432 1.622 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(c2nc(C)ns2)CC1 1300382449 ULVPAIWZVDAXND-UHFFFAOYSA-N 416.555 1.706 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)CC)c1 1300458922 NSWSGSMBZPBCMY-IBGZPJMESA-N 415.563 1.750 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1300497391 YTPSXEHQUBQLGZ-SJORKVTESA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300504140 KBSMUNWZLBGAAA-MBOZVWFJSA-N 422.551 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(-n2cccn2)c1 1300544650 APPGAYQVPAJCRE-UHFFFAOYSA-N 414.473 1.102 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2 1301147122 BEWFAUPVAZSJMV-CQSZACIVSA-N 402.499 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1C 1301594003 ZZSYREGPYXUSNK-CQSZACIVSA-N 423.564 1.859 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1OC 1302310707 CNLYQYICUOJVAI-ILOCAZANSA-N 405.499 1.546 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2nccn2C(F)F)CCO1 1303003072 BTSHOQLVPSMONS-CQSZACIVSA-N 400.393 1.633 30 10 HDEE CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1305094127 PIRPWLYQSDZQPE-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1305202699 MJEOGURVJFRKOM-XAGMJWQQSA-N 402.524 1.699 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1nnc(C)s1 1306198000 GGIANLLGEUAQCH-UHFFFAOYSA-N 409.523 1.836 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 1306894508 MJKYCVYXNVAPFK-OCCSQVGLSA-N 405.398 1.453 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)cc1 1309053758 GWQNQIHQFXOHJX-UHFFFAOYSA-N 400.504 1.810 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1CC1(S(C)(=O)=O)CC1 1316085589 BVLBWFAHARGFIN-UHFFFAOYSA-N 403.508 1.688 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](Cc3ccc(F)cc3)C(N)=O)CC2=O)cc1 1318074134 NORPEFWZVDDFHL-DLBZAZTESA-N 408.433 1.511 30 10 HDEE C[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(S(=O)(=O)N(C)C)cc1 1339064386 CLPQZINLRMVZBJ-LTFJSZEESA-N 420.491 1.031 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358960953 PCILGFOLQJLDHQ-JKSUJKDBSA-N 402.524 1.351 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1359010644 VSIAFWVNVVWLCX-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(F)cc2)CC1 1359030971 LQJWZQSUTJSEAQ-JOCHJYFZSA-N 413.497 1.873 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1359092018 VVZOEPGCSNXZEI-ZACQAIPSSA-N 411.572 1.854 30 10 HDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359132530 ZUERDIDADNZIFO-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359134949 MMJGOUVJBDUTJI-DOTOQJQBSA-N 416.551 1.941 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)NC(C)C)CC1 1359172091 KMSQKSWYQQKSEV-UHFFFAOYSA-N 424.571 1.244 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnnn1C 1359270090 BCIYOMZOAUCTDS-UHFFFAOYSA-N 417.477 1.547 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1359426758 UMJSMFSOWZZWJZ-QFIPXVFZSA-N 421.505 1.400 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1 1438554334 XTSUSGLJUWEAJP-QHCPKHFHSA-N 421.453 1.495 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1452130638 GMPRAHBWQWFXCQ-POZUXBRTSA-N 414.487 1.657 30 10 HDEE C#CCN(C(=O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1456086088 MDJZLMGJEPPWCY-SQWLQELKSA-N 401.406 1.818 30 10 HDEE N#Cc1csc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)n1 1456480264 QJLXNQAXJZWGIX-UHFFFAOYSA-N 404.517 1.878 30 10 HDEE N#Cc1c(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)cccc1OC(F)(F)F 1460820067 NYXMBHZYLKTYPA-UHFFFAOYSA-N 412.349 1.893 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)c3ccnc(N4CCOCC4)n3)CC2)cc1 1463839963 ZGXNWJRJENZHHK-UHFFFAOYSA-N 406.490 1.533 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1464521067 KVCOWZICZCVNON-PKOBYXMFSA-N 406.504 1.699 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)C1 1469756584 SGTQKXWLDDLRDU-NRFANRHFSA-N 422.445 1.562 30 10 HDEE Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1470213619 GXFSEVHDZVIFHI-MOPGFXCFSA-N 400.504 1.734 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3ccc(C#N)s3)CC2)C1 1470574421 WDMVRCSAOBKNHX-IYBDPMFKSA-N 403.552 1.951 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCSc2cccc(Cl)c2)CC1 1471450949 LTRFJWSBGRWWTA-UHFFFAOYSA-N 401.941 1.434 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CCOCCN1C(=O)c2ccccc2C1=O 1473279017 PWNFBUCEYSRVDV-MRXNPFEDSA-N 420.473 1.172 30 10 HDEE O=C(CN1CCC(CN2CCNC2=O)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1473838406 SVXFUMUXYDNDFL-UHFFFAOYSA-N 422.451 1.910 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C 1475716681 GWSGRQKUJUYKIA-UHFFFAOYSA-N 410.452 1.838 30 10 HDEE C=C[C@@](C)(O)CC(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1488647970 FCBMMRZWLJJOCX-QTFONMOESA-N 402.466 1.809 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1505120401 CYQATQJTNNNMTH-SFHVURJKSA-N 418.498 1.673 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1507576654 YXAMWPJFDSDLNG-UWJYYQICSA-N 403.527 1.789 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccnc1)C(C)C 1507600689 JZPQBPATYRUTPQ-DOTOQJQBSA-N 404.540 1.793 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1507636822 KQGNKHGWNCIRGH-UHFFFAOYSA-N 419.489 1.401 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2scnc2C)CC1 1507718993 JHFOPUVHRZPXEY-KRWDZBQOSA-N 418.567 1.765 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCCCC2)CC1 1507719313 NAAYBKYNEUHGEW-IBGZPJMESA-N 404.559 1.243 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCNC(=O)C(C)C)CC1 1507884609 KKEVHLICUJUBSF-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1508079246 PVMLSTNOAYOFHQ-INIZCTEOSA-N 403.446 1.524 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1 1508088623 UCBYWXUOSPGEFV-KRWDZBQOSA-N 401.433 1.987 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](C2CCOCC2)C1 1508088984 HTSBCRXYIMWWEV-ROUUACIJSA-N 403.527 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1508140285 MDWLMLRFACMIJP-OKILXGFUSA-N 410.569 1.610 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508158433 GZORNAXIRCCLSY-DOXZYTNZSA-N 407.540 1.533 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1509637528 GTIDYSLHORNJGR-QPAVJXABSA-N 404.490 1.799 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cn1 1509825628 FSVDAQLSGYXAGG-HZPDHXFCSA-N 411.466 1.188 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C)O1 1512502083 XXXAHQNUUMHPBL-IAGOWNOFSA-N 415.494 1.741 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H](COC)OC 1518728869 IPCNRLZMLMQMMQ-KSZLIROESA-N 407.515 1.794 30 10 HDEE COCCN(C)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519119134 CQYFKSJFSAJFTF-UHFFFAOYSA-N 413.526 1.590 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(COC)c1 1519332263 XTGBYOJKYOMXND-LPHOPBHVSA-N 415.494 1.926 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CCC1 1534802241 KBHQSOAYIBUPCB-UHFFFAOYSA-N 422.551 1.965 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cc(C)nn1C 1539421738 XBQDSIJLTWGTSR-UHFFFAOYSA-N 418.505 1.693 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC(=C)Cl)n1 1539423790 GKAQQDLYVATERQ-UHFFFAOYSA-N 414.901 1.914 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1539445799 GSCHWAWTOFPVHO-FHWLQOOXSA-N 414.554 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)CC1 1539445937 LATHUDFLYNQUMC-IBGZPJMESA-N 424.553 1.194 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCCCC)CC1 1539451949 GLXKYXXIHWLTCG-GOSISDBHSA-N 423.583 1.142 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCO[C@@H]2CCOC2)CC1 1539453971 FGFVRYIQBSBMNE-LJQANCHMSA-N 415.563 1.881 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC=C 1539556873 JKFXZZFFUUYSBN-VQIMIIECSA-N 407.540 1.569 30 10 HDEE C=CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1540022002 YLGMSTPTTNIXOI-OAQYLSRUSA-N 415.542 1.957 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](CC)C1 1540874502 IOQUKMUCXLQUJL-KRWDZBQOSA-N 410.478 1.646 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC=C(C)CC1 1540874738 QFCAUECOMLCQFN-UHFFFAOYSA-N 400.508 1.728 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cn2)C1 1540881629 OHDHMZNWWZWADA-QGZVFWFLSA-N 400.458 1.878 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nc(C)cs2)C1 1540892462 LYQOKQAFMLSYSN-HUUCEWRRSA-N 423.564 1.775 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1540917200 PULCOPDMPDWGNW-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1543962125 MOOBTPGZMCGJKR-QYWGDWMGSA-N 404.511 1.950 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C[C@@H](C)O1 1544756435 VSSPOKWUURGDKR-HZPDHXFCSA-N 422.493 1.604 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1547773126 PWEXGVJMQYTGTN-KRWDZBQOSA-N 415.473 1.653 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554689467 YSRVDKHSSZKULD-BONDDZEJSA-N 400.483 1.687 30 10 HDEE Cc1cncc(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1557519798 IJQDQSJRRYDBNI-QGZVFWFLSA-N 415.519 1.597 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Cn2nc(Br)c(Br)n2)C1 1558328928 IBVSBTJTMLKDGF-SECBINFHSA-N 405.094 1.017 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSC2=NC(=O)CC(=O)N2CCCC)c1 1559475233 KOCUUOQVSVGPGU-UHFFFAOYSA-N 400.460 1.964 30 10 HDEE CCOC(=O)[C@@]1(C)CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCO1 1560083944 DPBZSGORNZCJAJ-LJQANCHMSA-N 412.408 1.827 30 10 HDEE N#C[C@@]12CN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@H]1CS(=O)(=O)C2 1560168266 FYRMNYLJEJRRAO-YJLNNSPDSA-N 409.458 1.326 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2ccnc(C#N)c2)C1=O 1568546686 RFKZTPXPURSNGZ-INIZCTEOSA-N 401.467 1.333 30 10 HDEE C[C@H](Oc1cccc(Br)c1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585659936 AMWUVDCXJNOMRS-MQIPJXDCSA-N 413.293 1.613 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)C(C)(C)C 1588078018 AELFFFJENQYFAX-UHFFFAOYSA-N 400.527 1.432 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](CC)C1 1589068683 CQSGEWLLAWVKDD-ARFHVFGLSA-N 412.581 1.550 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1594857868 SBTOWYGEEQZCLV-KUHUBIRLSA-N 424.498 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1595529704 DXCKKAMHKWHYGU-QZTJIDSGSA-N 409.469 1.923 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595555833 IIXGHJWFJXYLCD-NRFANRHFSA-N 412.469 1.027 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1595603097 XSYOTCLWBBCVAH-UTKZUKDTSA-N 420.558 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1595773014 MOMQSLHKCSURIJ-KRWDZBQOSA-N 415.519 1.890 30 10 HDEE C=CC1(CC(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1596672401 BOYDGYOOXDRYRI-SFHVURJKSA-N 402.513 1.120 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN4CCCC[C@@H]34)C2=O)cc1 1611386350 XTRQDOKOHLOCQH-QRVBRYPASA-N 409.490 1.896 30 10 HDEE Cc1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1612055459 DQEKKWSVXFMROZ-QZTJIDSGSA-N 415.519 1.460 30 10 HDEE CNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1616413575 HRRLPIGMIOQFLJ-UHFFFAOYSA-N 405.407 1.500 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1617487298 NEYXFSPAIRNRRS-LRDDRELGSA-N 415.393 1.127 30 10 HDEE C=CC1(CC(=O)N2CCC3(CC2)NC(=O)N(C)C3=O)CN(C(=O)OC(C)(C)C)C1 1618265286 CCZVAMUVBDMMRU-UHFFFAOYSA-N 406.483 1.342 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@@](C)=O)CC1 1618761560 DEYZCBBCLCMJTJ-MUUNZHRXSA-N 400.508 1.300 30 10 HDEE COc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)ccc1OC(C)C 1619083299 GIAYTTAHFXKONJ-INIZCTEOSA-N 413.478 1.995 30 10 HDEE Cn1nc2c(c1C(=O)N[C@H](C#N)c1ccc(Br)cc1)CS(=O)(=O)CC2 1624138179 ZLMXVMIFZHJSMU-CQSZACIVSA-N 423.292 1.648 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1624726127 COMRLNGHULQICS-HNNXBMFYSA-N 413.396 1.961 30 10 HDEE CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1626203256 OXHWQYDQZIHEMH-CQSZACIVSA-N 413.496 1.553 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(OC)cc1OC)C(=O)OC 1626205153 XWCCHPXIOSBOBD-IAGOWNOFSA-N 420.462 1.169 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2(N3CCOCC3)CC2)nc1C 1627230001 BEUASJWMCGDUAP-UHFFFAOYSA-N 406.537 1.988 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc2n(n1)CCCC2 1628002482 KPHMBZFMRNGDKG-UHFFFAOYSA-N 401.492 1.355 30 10 HDEE C#CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@H]1CCS(=O)(=O)C1 1630829393 DTBGFPNPNAWNRK-IBGZPJMESA-N 408.483 1.828 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 1635166184 IAIYOYNWMBZQBU-PDGQHHTCSA-N 415.559 1.913 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2cc(C#N)ccc2O)C1 1637620549 VJFULZDBOGSSNB-CYBMUJFWSA-N 409.464 1.627 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)C(=O)OC 1637697639 WUEVMTKNHHZHIO-GOSISDBHSA-N 400.456 1.806 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 1638075741 UFXQZNYNQAKFII-CQSZACIVSA-N 406.280 1.388 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1639569579 USDNSHYVSRFEFI-BZSNNMDCSA-N 419.503 1.456 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1642220770 NWYZDRQQILNBAI-OAHLLOKOSA-N 406.508 1.023 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H](CO)Cc1ccccc1 1645308735 HWUVCRSJEFHOKR-SFHVURJKSA-N 401.488 1.554 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cccc(C#N)n2)CC12CN(C(=O)OC(C)(C)C)C2 1645414334 WSZVGDKPVOUHMD-CQSZACIVSA-N 400.435 1.435 30 10 HDEE N#Cc1ccc(Cl)cc1NC(=O)CN1CCN(C[C@H]2CCCS2(=O)=O)CC1 1648035732 PWJDYZOHDONMMR-MRXNPFEDSA-N 410.927 1.345 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1649543675 RHWCRFMGLGCRIL-QFIPXVFZSA-N 421.505 1.305 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1651802631 ZVKBNWOKENFNHK-LJQANCHMSA-N 403.548 1.618 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@@H]1C(=O)OC 1655079663 KNOMCRPMWZZBHK-RRQGHBQHSA-N 405.426 1.355 30 10 HDEE COC(=O)c1ccc(N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)c(C#N)n1 1655106673 CIVBDYSMAUGIBX-CQSZACIVSA-N 418.450 1.826 30 10 HDEE C#CCN(CCC1(NC(=O)OC(C)(C)C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1657420781 DUMNIJFXDASTHU-MRXNPFEDSA-N 400.541 1.573 30 10 HDEE C=CCOCCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1664499640 YXVUVIOCEMJAEL-UHFFFAOYSA-N 402.538 1.732 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1670014715 FGAIAOJQKDDTHC-AWEZNQCLSA-N 400.522 1.881 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC3CCC(C#N)CC3)CC2=O)C1 1672025682 OVLNEAFXSSEFPH-GPANFISMSA-N 419.526 1.836 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 1674325754 CUFZVHRYDZSBEL-SFHVURJKSA-N 411.506 1.962 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1)C1CCOCC1 1684188923 ZDEMEXCLXRATCF-MRXNPFEDSA-N 411.549 1.629 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](O)COc2ccccc2Br)C1 1685267214 UIVFACRLPSPQQY-GJZGRUSLSA-N 410.312 1.586 30 10 HDEE C#CC[C@H](NC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1)c1ccccc1 1685763983 NKRDNMCALYSXPA-FQEVSTJZSA-N 406.486 1.825 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CN(C(=O)OCC)C[C@H]1CO)c1ccc(Br)cc1 1686921822 TXLMJZNIVDIDOV-BPUTZDHNSA-N 424.295 1.872 30 10 HDEE C#CCN(C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 1686929599 NCXULZFYWVGBGK-FQEVSTJZSA-N 414.531 1.355 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1689827615 HOXFBJAZVKPOON-CABCVRRESA-N 405.524 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1689861545 WUJUCXZVDIFJNT-QWVSSGJLSA-N 405.549 1.639 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1689984302 NEDOFAOSUGDRMS-OAHLLOKOSA-N 404.492 1.388 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1([S@](C)=O)CCC1 1690031380 IJAKLXSYLALUNA-LJAQVGFWSA-N 417.579 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1690039603 MFNKLANGUMXTJT-UHFFFAOYSA-N 417.473 1.628 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1690058293 SOURBIYWQQGTOB-UHFFFAOYSA-N 417.535 1.491 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1Cc1nncn1C 1690106352 RUQIRFRVNJYBOS-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690188977 ROWCJDLGTHXZCC-HBGVWJBISA-N 401.511 1.747 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1690288011 CVOWKMKMFOWYAQ-HOCLYGCPSA-N 406.512 1.068 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1697996603 NDTPOFLPQDCWOC-UHFFFAOYSA-N 420.477 1.440 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)OC)CC1 1705510813 YYMSVYDHRYNTSO-CQSZACIVSA-N 411.528 1.081 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1705546999 PNUOSTIKKBBYLL-JOCHJYFZSA-N 411.506 1.750 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC=CCO2)CC1 1705632551 TVTQIZWNBADMQH-GOSISDBHSA-N 400.527 1.297 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCC(=O)N2)CC1 1705650650 WHFNCFMOKGMULD-GOSISDBHSA-N 412.538 1.255 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1705665067 JHMYAHQMIGXLOC-OXJNMPFZSA-N 422.551 1.686 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C(N)=O)nc2)CC1 1705776931 UMTIFLIRJMVBTI-HNNXBMFYSA-N 414.510 1.947 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1705865937 CDYDTJLSYFSECB-HNNXBMFYSA-N 423.564 1.918 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(Cl)ccn1 1705893804 GZWWDPLCTHITTO-UHFFFAOYSA-N 417.901 1.501 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(OC)cc2C1 1705894961 PFMJCAGPWDONTD-UHFFFAOYSA-N 412.494 1.290 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](c2nccs2)C1 1705900302 YIAMWUSRIJUUNY-OAHLLOKOSA-N 411.491 1.677 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1706074214 XGPLECTWVNJPOX-WFASDCNBSA-N 413.482 1.516 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1708955213 OPORDVFUBGNSGM-VGSWGCGISA-N 424.505 1.627 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCCC2)CCOC1 1710482138 AVVWNMGEJBTYNM-GHTZIAJQSA-N 418.542 1.535 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1710612727 CRGSQXOZFFYYAT-LJQANCHMSA-N 424.505 1.681 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711148494 USGNPPJUTALEFK-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1712699883 LMIRKHFVISMEBX-ZDUSSCGKSA-N 410.887 1.157 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2cc[nH]n2)C1 1712877147 BZDBHEHPEHFMBW-LJQANCHMSA-N 400.462 1.606 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)=O)CC1 1722506869 DMMFMTYMRXFQLV-FPOVZHCZSA-N 410.522 1.914 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722694651 CUSJTWNKGMCMFV-HOTGVXAUSA-N 408.418 1.233 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1722743034 OBJFQYVXJQUQLM-GOSISDBHSA-N 417.583 1.580 30 10 HDEE CCOCc1nnc(N2C[C@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1728995064 FSUDEWIZFAQMGW-YJBOKZPZSA-N 400.483 1.484 30 10 HDEE COC[C@@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1730479122 HDSVJNYMYYNNLJ-OLZOCXBDSA-N 402.496 1.003 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1731180151 BIQZIOOOMYAOOF-FGTMMUONSA-N 410.478 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@H](F)C1 1740553006 QFDXOLGRNYRMQU-VGWMRTNUSA-N 413.519 1.207 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740590012 DZPDCTWZFDPLKP-GOSISDBHSA-N 401.511 1.271 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](CC)OC 1740602550 OSVONVULABGBOD-MRXNPFEDSA-N 405.524 1.690 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740618900 CYIKDJVSDJMTOG-IEBWSBKVSA-N 414.531 1.998 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2c(C)noc2C)CC1 1740691246 XTCJGOOFGUNROC-QGZVFWFLSA-N 402.499 1.410 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](OC)C2CC2)CC1 1740703792 FDAJCNFJPVFQDW-IBGZPJMESA-N 408.506 1.731 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740786856 QQHSLDVXGYRFIW-LAUBAEHRSA-N 421.542 1.783 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740821114 DBBDUXYAKLEHHH-QLFBSQMISA-N 415.947 1.742 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1740957189 FCMLXUBKINVISH-UHFFFAOYSA-N 415.498 1.490 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(Cc2cscn2)CC1 1740961263 QVVKQVZBBLVXPA-UHFFFAOYSA-N 417.583 1.948 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1748483677 BGZZKDVLUWSILI-UHFFFAOYSA-N 415.519 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1748665494 ROWYAFQCAWBCBP-HUUCEWRRSA-N 403.556 1.646 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1CCS(=O)(=O)NC 1748779973 ZUIVYRXQDUBQEF-UHFFFAOYSA-N 421.523 1.360 30 10 HDEE C#CCN(CC)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1748929760 PEJBYPATMABOPG-UHFFFAOYSA-N 413.613 1.705 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCC2(O)CCOCC2)CC1 1748994289 XQCCNSYDEZYCBA-UHFFFAOYSA-N 401.555 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)N[C@@H](C)CC)CC1 1749004047 DGJSMKVNCNNWOH-INIZCTEOSA-N 402.543 1.672 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](COC(C)C)C1 1749044490 REOXRFKJZNCGTM-KRWDZBQOSA-N 421.567 1.397 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1749157886 AFSPYARTLJFVDN-HNNXBMFYSA-N 421.523 1.492 30 10 HDEE C=CCCOCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1749461143 NYKKUBHXUXDTDK-LEWJYISDSA-N 419.526 1.239 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749674529 GFTRJSVXFOYCRW-SFHVURJKSA-N 424.505 1.966 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749751880 CYVZHMPDLXWDFG-UONOGXRCSA-N 412.585 1.856 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCCO2)CCOC1 1751027852 ZXKUHDNDKMNVDT-SQGPQFPESA-N 405.499 1.617 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1760100193 RUIJKJXDEMGGNC-OXQOHEQNSA-N 424.567 1.601 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760121286 ANMCYDKKAHJAFG-NVXWUHKLSA-N 413.503 1.621 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1760138279 VQJSFQOTUJEXJI-SJORKVTESA-N 411.572 1.897 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nncn1CC 1760221161 LXGXPMVCCWHUIQ-UHFFFAOYSA-N 413.489 1.639 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2Cc3ccccc3C2)CC1 1760252823 XDIGXBVUQLRFBK-UHFFFAOYSA-N 420.561 1.977 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2CCOC[C@@H]2C1 1760567907 QDMLOKRQTOSUCK-SFHVURJKSA-N 400.552 1.704 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1761540041 MGHWBCRUOBRMAB-JKSUJKDBSA-N 419.457 1.685 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCC(C)C)n1 1762459566 NQZRMTGYTCXKCW-GOSISDBHSA-N 401.515 1.931 30 10 HDEE CCN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(C)C 1766910265 CLKNDSTXVSDDRB-UHFFFAOYSA-N 411.510 1.395 30 10 HDEE COCCCN(C)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1769704824 LIWAJUHNSFNAMP-SFHVURJKSA-N 403.575 1.720 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@@H]2COCCO2)cc1 1770733209 TXXCZTMWYVQHSW-GOSISDBHSA-N 410.478 1.324 30 10 HDEE CC(=O)N1CCN(Cc2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)CC1 1772790516 PQBDNZLJBVWJHB-UHFFFAOYSA-N 407.426 1.719 30 10 HDEE CSC[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1772790791 XDISVYDWTNASHX-LALPHHSUSA-N 416.455 1.648 30 10 HDEE COc1cccc(-c2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)n(C)n2)c1 1851190692 WCMATFCRVMKTJZ-UHFFFAOYSA-N 403.446 1.720 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CC(=O)Nc3ccc(F)cc3)CC2)nc1 1851219584 QRKVFYAOVGSMRF-UHFFFAOYSA-N 411.437 1.786 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c(C#N)c(C)[nH]1 1851582759 FZYXQAZRWHPWML-LLVKDONJSA-N 415.837 1.741 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)COc3cncc(Cl)n3)CC2)nc1 1852765830 NUCKSENZLNFCSD-UHFFFAOYSA-N 402.842 1.141 30 10 HDEE N#Cc1cnn(-c2ncccc2C(F)(F)F)c1NC(=O)[C@H]1CCn2cnnc2C1 1853115466 XRTNWLDENKTDOP-JTQLQIEISA-N 402.340 1.950 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1=O 1854197894 IJVVSFVCKXBNKX-GOSISDBHSA-N 408.437 1.439 30 10 HDEE CC(C)n1cc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1854271560 SSVBRQLUTKQVKT-GOSISDBHSA-N 408.462 1.625 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc32)C(=O)C12CCCCC2 1854404308 MJSMBUFJHIREFT-INIZCTEOSA-N 417.487 1.390 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)CC1 1855163196 JZANWECRTVFMIN-KRWDZBQOSA-N 411.568 1.465 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCCN(C(=O)Cn3cncn3)C2=O)CC1 1855700591 MUVPMVURRYXLOC-LJQANCHMSA-N 406.490 1.743 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1856096316 DMLCTTLWURPLRW-GJZGRUSLSA-N 416.547 1.652 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(Oc4ccccc4)C3)CCC2=O)CC1=O 1856975258 KQADOFPZGDXWAE-ZWKOTPCHSA-N 411.502 1.549 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(C)c(C#N)c2)C1)[C@@H]1CCN(C)C1=O 1857074940 UHTRWATUBLKYNJ-FXAWDEMLSA-N 408.502 1.964 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cc(-n4ccnc4)ccn3)C1)CC2 1857231793 HOQXHPSXFLIVMI-IRXDYDNUSA-N 404.474 1.882 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1857356259 CZPRBJRBQHJSFF-QFBILLFUSA-N 412.465 1.932 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCC(N4CCCC4=O)CC3)C2=O)cc1 1857359646 NDXBXLCSNOKDCP-FQEVSTJZSA-N 408.502 1.705 30 10 HDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(CO)CC1 1869929612 JSXXCCQJJNPQTJ-OAHLLOKOSA-N 411.549 1.078 30 10 HDEE COc1cccc(Cn2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1870097747 UVHPQLDFAJONNE-UHFFFAOYSA-N 414.403 1.916 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872905655 LHEDWLOLKQVNBR-HNNXBMFYSA-N 400.435 1.489 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(C)ccc1O 1874430099 SIPJOBRMASANQK-UFFVCSGVSA-N 418.523 1.771 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NS(=O)(=O)N2CCC(C#N)CC2)CCO1 2174781323 DZFHANSPZNQXNB-LSDHHAIUSA-N 402.517 1.129 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(NS(=O)(=O)c2ccc(C#N)s2)CC1 2174785953 DVSISKGNVAQZRE-UHFFFAOYSA-N 414.553 1.887 30 10 HDEE C#CCn1ncc(NCc2nnc(Br)n2C)c(Br)c1=O 2178004178 XKYAIPBEZYRRAM-UHFFFAOYSA-N 402.050 1.142 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)CC2(C#N)CCCC2)CC1 2190123508 PGVRJMWYUVUWOC-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2243384146 KWHMHDUDLNYYIG-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247915010 UWNRJOHYIGJTGD-CHWSQXEVSA-N 420.319 1.362 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1sccc1C#N)NC(=O)OCc1ccccc1 2258163421 DAYFNBRZVZLJMD-AWEZNQCLSA-N 423.472 1.829 30 10 HDEE C[C@H](C(N)=O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354577 BSFSIYDSEVZRSI-MRVPVSSYSA-N 408.738 1.195 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NOCC(F)(F)F)OC1(C)C 2267708626 NJVIOVMRUPQFEZ-UHFFFAOYSA-N 402.225 1.356 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC3=O)cc2Cl)OC1(C)C 2268898598 BLFWVBWFGZHHDO-SECBINFHSA-N 407.706 1.295 30 10 HDEE CC1(C)OC[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@@H]1O 2281937100 VSZGZXORNOTUDR-GWCFXTLKSA-N 401.721 1.969 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2281970621 FZZHRWCSRYAIOE-HIFRSBDPSA-N 405.304 1.333 30 10 HDEE C[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C[C@@H](C)S1(=O)=O 2282001380 AMEDHOVGDISGTC-PHIMTYICSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](CO)[C@@H]1C 2282313838 QMZDRWFHJURGBS-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338527 OCHBADDKUFUGDW-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE C[C@H]1CNC[C@@H](C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339375 XSQJOMILKQVURF-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC(C)[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282351864 HAKBNDXBGHIEPK-KGLIPLIRSA-N 401.359 1.997 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282835835 YVYUMWSHPYMXPF-RUZDIDTESA-N 422.765 1.902 30 10 HDEE Cc1cc(S(=O)(=O)NCCOCC(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282838775 UQWITJSFSDDOSA-UHFFFAOYSA-N 411.301 1.916 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCC[C@H]2N)OC1(C)C 2282842654 AYEUISCVYXJSSS-VXGBXAGGSA-N 401.363 1.132 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccccn1 2327876483 LGUKZUCINPGRBQ-CYBMUJFWSA-N 416.507 1.935 30 10 HDEE C[C@]1(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)C[C@H]2CC[C@H]1CC2=NO 2328363524 IXBDYRUWCNAXDI-NQCMUKECSA-N 405.476 1.611 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CSCCN(C(=O)OC(C)(C)C)C1 2342036457 DLBWDNKEYXPGQS-LSDHHAIUSA-N 402.582 1.755 30 10 HDEE Cc1csc(C#C[C@H](OCCN)c2cc(I)nn2C)n1 2363691485 NNCOQOIHXBQTNY-NSHDSACASA-N 402.261 1.858 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)CO2 2368953153 FIXDGQCMENBRLX-DEDUFFMVSA-N 402.513 1.584 30 10 HDEE COCCOc1ccc(C(=O)NC(=S)Nn2c(C)cc(C)c(C#N)c2=O)cc1 14657180 ZIZFTEMLFZHSJF-UHFFFAOYSA-N 400.460 1.620 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 47102696 DUHARHADVVKSTL-FQEVSTJZSA-N 405.506 1.844 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccnc2Nc2ccccc2OC)CC1 105265513 UOBZDFFBEKLWDU-UHFFFAOYSA-N 409.490 1.894 30 10 HDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CCOC)C(=O)C1 460385512 HWGWHQGWCWIRGE-UHFFFAOYSA-N 424.505 1.990 30 10 HDEE COC(=O)c1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)c1C 462957385 QIFBWUPCBDBXKI-UHFFFAOYSA-N 416.503 1.498 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[S@@](=O)C[C@H]3c3cnn(C)c3)cc2C1=O 467594043 LAXFPPYZTWTPND-SFNQZPIRSA-N 412.471 1.148 30 10 HDEE COC(=O)c1cc(Br)cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 471926131 ZQRKHULJCVULPK-CQSZACIVSA-N 403.254 1.539 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481062892 VQMYGAYWYWXEHP-UHFFFAOYSA-N 411.480 1.567 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)cn1 487461861 BILFCZACFRTFHY-QUCCMNQESA-N 421.505 1.361 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cc(Br)cc([N+](=O)[O-])c2=O)c1 502113359 ZUJLCAVSOKUBQX-UHFFFAOYSA-N 412.221 1.865 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnc3n(c2=O)CCS3)cc1 502447724 UJGAUSHTIQICLV-AWEZNQCLSA-N 413.484 1.374 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 504398924 KAYAXBCEZYQQLP-UHFFFAOYSA-N 407.474 1.586 30 10 HDEE CC(C)N1CCC(N2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 513788442 RBDSNDQXLRABHJ-UHFFFAOYSA-N 404.580 1.822 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3oc(C(=O)OC)cc3c2)CC1 522842873 QUUBHTIBUCFVFB-UHFFFAOYSA-N 400.435 1.671 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2nc3c(C)ccnc3[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 533611890 SGYKLSKHLKRYGZ-LBPRGKRZSA-N 417.429 1.264 30 10 HDEE COc1ccc([C@H](NC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)c2nccn2C)cc1 538081754 LIGVTFUKGZCEOM-KRWDZBQOSA-N 421.461 1.922 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O 539356627 JRJDAPNCLQYTOF-LBPRGKRZSA-N 402.405 1.586 30 10 HDEE CN(C)CCN1C[C@H](C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1=O 541141302 WRODJRNXBSTJNP-CQSZACIVSA-N 400.870 1.746 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 543718006 QVTBSAKWCAUSDD-IBGZPJMESA-N 403.439 1.900 30 10 HDEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544834480 GHZGTWAOUCUBCZ-IBGZPJMESA-N 420.452 1.520 30 10 HDEE Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 545469385 IXINMCGZMARXBN-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 549667290 OYDHQIKOUQTSBY-MRXNPFEDSA-N 408.466 1.603 30 10 HDEE CCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2cc(OC)cc(C)n2)c1=O 558043553 YAJLHVVVVBLJRZ-UHFFFAOYSA-N 420.494 1.784 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 584071093 OPSQCZMDJXXBEJ-ROUUACIJSA-N 411.483 1.897 30 10 HDEE CN1CCN(c2ccc(NC(=O)NCCNC(=O)c3cccc(C#N)c3)cc2)CC1 586445733 PDERMZMGXPSVTF-UHFFFAOYSA-N 406.490 1.862 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NCc1ccc(C#N)cc1F 609579250 JYXRFEBKGKQUFR-UHFFFAOYSA-N 420.466 1.310 30 10 HDEE COC(=O)CCc1nnc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 609872423 JDSRPDPADTZVQM-UHFFFAOYSA-N 422.488 1.973 30 10 HDEE CCOc1cccc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 610760454 KVXXDNGIIOJNNF-SFHVURJKSA-N 421.457 1.916 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 611545190 VLBHBWPFMDJBQQ-UHFFFAOYSA-N 410.492 1.193 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC(F)(F)C[C@H]2CO)c(C#N)cn1CCOC 614932663 NCKUEEUEYWDSSU-LBPRGKRZSA-N 400.382 1.417 30 10 HDEE CCCN[C@@H](CC#CCOC)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 698994982 BZFGRTXDNJRLCN-DLBZAZTESA-N 402.557 1.819 30 10 HDEE C#CCN(C(=O)CSc1nccn1-c1ccccc1C)[C@@H]1CCS(=O)(=O)C1 729331016 ISTRPEYQPVSDMK-MRXNPFEDSA-N 403.529 1.922 30 10 HDEE C#CCN(C(=O)c1cc(F)ccc1I)[C@@H]1CCS(=O)(=O)C1 729335945 XTHWVIUGFMFLNR-LLVKDONJSA-N 421.231 1.693 30 10 HDEE Cc1ccc(-n2nc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c3c2CCC3)cc1 731861507 DOBCQMKYVHJQIV-XDOYNYLZSA-N 405.458 1.926 30 10 HDEE CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155863 HHNKNCLFBCNNCA-JPONUYRWSA-N 424.501 1.629 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCN1C1CC1 732701919 PGPXDEGMCVDHLQ-UXHICEINSA-N 411.506 1.477 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(F)cc1 741454194 IMAZRECYBDMQKO-INIZCTEOSA-N 410.515 1.862 30 10 HDEE CCN1CC[C@H](N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 741702673 IGJLQPRNSKNLQN-RDJZCZTQSA-N 406.552 1.694 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)cc1 748147009 AJDUYRGFFLCGOA-UHFFFAOYSA-N 400.382 1.280 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)c1 751922443 DLPUEOKBOXRWFS-HNNXBMFYSA-N 408.474 1.932 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCC2(C)OCCO2)C1=O 758866166 CSXGJYOIVZGPBB-HNNXBMFYSA-N 402.476 1.779 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 758955573 RSMIDDDXJBUUJV-UHFFFAOYSA-N 422.462 1.153 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760773718 AIRJWTBRJBYPDJ-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCc3c(C)noc3C)C2)c1 762610915 GHKHKKXHAVDCGE-KRWDZBQOSA-N 417.487 1.634 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(Br)c(F)c2)c1=O 763302891 VXJUMUIRKPFNTR-UHFFFAOYSA-N 408.252 1.484 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1CCN(c2ccccc2C#N)CC1 767038076 VLHMQBOFFLJJPK-UHFFFAOYSA-N 415.494 1.284 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCCCN2C(=O)CNC2=O)cc1 769842700 PVSOMFZKQKBKFS-UHFFFAOYSA-N 405.455 1.290 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774148048 MPRDGKZSEQWLCG-ZDUSSCGKSA-N 402.419 1.629 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 779411423 FBQIZLRSVMXSNJ-HOJAQTOUSA-N 403.548 1.729 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 780436350 BQZUVCPVCYSKDK-FOCLMDBBSA-N 421.498 1.602 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)c1ccc(C#N)nc1 792674733 HRAQFTHKNRQQBZ-UHFFFAOYSA-N 411.466 1.870 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)CC2)o1 796279509 IWVRRTSXNNOFKI-QGZVFWFLSA-N 402.451 1.252 30 10 HDEE C[C@@H]1[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC(=O)N1Cc1ccccc1 798409671 YHXBHJKGTSMNDW-SIKSDLMGSA-N 411.462 1.002 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](Cn1ccccc1=O)c1ccccc1 800706520 DSMSDPITZAGJGW-UAFUQJIBSA-N 421.457 1.415 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N1C[C@H](C[C@H]2COCC(=O)N2)c2ccccc21 806535139 MWMSQFIAKJIBSS-IRXDYDNUSA-N 420.473 1.584 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(C#N)CCC1 809845405 KGCCTFYQGRNQIE-CQSZACIVSA-N 415.512 1.494 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 812038087 GLJMKWATTQRDPB-IGCQWYOMSA-N 416.453 1.289 30 10 HDEE C#C[C@H](NC(=O)Cc1c(C)nn(-c2cncc3nnnn23)c1C)c1ccc(F)cc1 813256025 YOMZVCOLYLURJA-KRWDZBQOSA-N 404.409 1.494 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)CC1 849519998 UQGYVSDDOIFKSC-HBMCJLEFSA-N 400.571 1.926 30 10 HDEE CSCC[C@@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 916774892 GNTPMFISLIJBAU-OAHLLOKOSA-N 421.500 1.649 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)OCCC(C)C)n[nH]1 1083978059 ODCHLKXPVRBSMK-UHFFFAOYSA-N 409.516 1.738 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 1116554071 FHLCVSGOFPASFR-LBPRGKRZSA-N 403.298 1.822 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1 1124255756 IOEXVMGPMBOVAQ-OKILXGFUSA-N 405.480 1.514 30 10 HDEE COC(=O)c1cnn(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 1125203104 UXMFWSOUJNKXEU-PGMHBOJBSA-N 419.463 1.121 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCCCC3)CC2)cn1C 1131330336 MUFIKOIJCAGTSL-UHFFFAOYSA-N 407.540 1.720 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(S(=O)(=O)NC(C)(C)C)CC3)CC2)o1 1133161473 PSYZURBXNXNPAT-UHFFFAOYSA-N 423.539 1.438 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@@H]1[C@H]1CCCO1 1140193029 GKGMTSKBZVHUBK-ARFHVFGLSA-N 418.498 1.461 30 10 HDEE COC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1148761472 PYRQOECWRUMPQG-UHFFFAOYSA-N 416.459 1.003 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1149508337 PERQXRBQWNJKJN-UHFFFAOYSA-N 410.499 1.985 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)C1 1152269249 NVCDCNSPAFSDMZ-JRAJSIKGSA-N 416.522 1.900 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cnn(Cc4ccccc4)c3N)C2=O)cc1 1156591809 HTNFCOFMEZCYHW-HXUWFJFHSA-N 414.469 1.916 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1160098271 YVSSTQPMGYEBSO-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE C=C[C@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1167654897 WOMOEPWRGPYSIV-MNOVXSKESA-N 401.414 1.674 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(Cc3nn[nH]n3)CC2)cc1Br 1176780436 RLGJYNCEBJPOTR-UHFFFAOYSA-N 405.256 1.694 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)CC1 1198251693 KLALRALPMUQDJM-CVEARBPZSA-N 424.471 1.977 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1 1204972695 MMGXWQZWMOAHEY-XYPHTWIQSA-N 405.451 1.460 30 10 HDEE N#CCCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1226134146 XEAADCBFQOPBCJ-UHFFFAOYSA-N 400.224 1.217 30 10 HDEE CN1CCn2nc(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)cc2S1(=O)=O 1265418404 SBPKBZKJAJZSCX-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C[C@@H]1C[C@H]1C1CC1 1282669331 HXCMWHICJRJKIE-ADHGMGHFSA-N 402.539 1.935 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCCCS1(=O)=O 1286365060 QHBOOJGBEKOCOR-SFHVURJKSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1286393183 KPONCPCUVGOENX-ROUUACIJSA-N 424.567 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](CC)N1CCCC1 1286407853 TUNZLAYGWYJENE-QGZVFWFLSA-N 408.506 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N(C)c1ccccc1 1286415078 HONSSVICRNGEBL-IBGZPJMESA-N 404.518 1.998 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC 1286427646 LEGUEKKSMNBEKI-UHFFFAOYSA-N 421.473 1.159 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CC1(O)CCS(=O)(=O)CC1 1286438486 XAOONWYIRBJFAQ-UHFFFAOYSA-N 418.519 1.353 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1286546151 GRKYGUVKPLCNSN-JKSUJKDBSA-N 420.514 1.286 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1286582104 RCIJMBHXLWTHQW-KRWDZBQOSA-N 406.556 1.949 30 10 HDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCNS(C)(=O)=O)CC1 1286648301 NTMZDCBDZKYOHC-UHFFFAOYSA-N 405.524 1.605 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286687185 MJFGCGRVJMOFTJ-INIZCTEOSA-N 410.482 1.564 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1286712317 WEFCGOWWQMXOQW-QGZVFWFLSA-N 418.542 1.759 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1286768700 DJGLBDHORRGNLL-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](Cn2cccn2)C1 1286818426 WRQYWIQBWINYMS-IRXDYDNUSA-N 422.555 1.494 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1288508512 NVWWZOJQGFILTG-HOTGVXAUSA-N 402.499 1.796 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cs1 1290435601 VPDXNZCXOJENQX-CRAIPNDOSA-N 404.496 1.168 30 10 HDEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1291970268 DGGUKSNDJNCJPA-UHFFFAOYSA-N 412.381 1.921 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(C(C)C)cc2Br)CC1 1292889653 JIGPLJJVQBMAKT-UHFFFAOYSA-N 410.316 1.124 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC([C@@H](O)C(=O)OC)CC3)n[nH]2)c1C 1295337595 LFEIYWIKGSSPJP-GOSISDBHSA-N 401.467 1.462 30 10 HDEE CCOC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1296681947 HUDUSUMWSGGYBH-MRXNPFEDSA-N 402.499 1.592 30 10 HDEE Cc1nc(NC(=O)c2cccc(C#N)c2Br)c(C(=O)NCCO)n1C 1297489316 MFNKUCWVMXVBBG-UHFFFAOYSA-N 406.240 1.337 30 10 HDEE C=CCN(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1298471740 QOHKVHZPDPLHAE-PMPSAXMXSA-N 411.524 1.585 30 10 HDEE CN1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1298881420 FGJRXHZRVZMJHF-YADHBBJMSA-N 412.513 1.962 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1300313832 PQCAUMBMEZTTBR-SFHVURJKSA-N 424.549 1.500 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1300365247 RWDMCODHJKJRKQ-HLIPFELVSA-N 422.551 1.368 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCc2nccn2C1 1300472062 WLSHAOAAZSJREC-HNNXBMFYSA-N 409.519 1.798 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1300483707 MSGKXVXUGPMRAW-AWEZNQCLSA-N 409.899 1.341 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](F)COC 1300618225 BDXLSQZHFYJIHI-CQSZACIVSA-N 408.503 1.682 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CC 1300664630 SFAJBGVKYYEGOM-MRXNPFEDSA-N 414.510 1.576 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CSCCS2)CC1 1300696344 YWLMMZFEVGNSQU-KRWDZBQOSA-N 400.577 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCc2cnn(C)c2)CC1 1300732148 XWPXYULYEZLNEL-UHFFFAOYSA-N 413.526 1.147 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1300960988 XCPQRXQDIBOTEK-UHFFFAOYSA-N 422.489 1.709 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1301935495 QNELQFWRKICUSA-UHFFFAOYSA-N 421.461 1.806 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1302274812 HNVPXCANMVKYBW-CABCVRRESA-N 406.487 1.773 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCOc2ncccc2F)cc1 1302988904 DAYIELTURXXXAE-UHFFFAOYSA-N 421.436 1.756 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@@H]2CCCO2)CCO1 1303005326 YNFLWTFWOJUSKQ-FGTMMUONSA-N 405.499 1.487 30 10 HDEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1303596844 DXQQDSWXJAKHBS-SJORKVTESA-N 420.473 1.500 30 10 HDEE CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1305207204 DKXXMZNHKYLXMP-AEFFLSMTSA-N 418.563 1.837 30 10 HDEE Cc1nn(C)c(N2CCN(c3ccc4c(c3)S(=O)(=O)N=C4Cl)CC2)c1C#N 1307094267 KFJCPCHNSUXPDT-UHFFFAOYSA-N 404.883 1.615 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCC2(S(N)(=O)=O)CCC2)cc1 1310196213 MPWLINMCXCCVOI-UHFFFAOYSA-N 406.508 1.834 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](CO)Cc2ccccc2Br)C1 1313291075 IHXZDKUSGGPRGL-RDJZCZTQSA-N 408.340 1.997 30 10 HDEE CN(C)C(=O)CCn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1314641265 XXWDDDXPZWUJNF-UHFFFAOYSA-N 411.510 1.880 30 10 HDEE CO[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1315169059 XQZUYRQDDRPTHJ-INIZCTEOSA-N 424.509 1.029 30 10 HDEE C#CCNC(=S)/C(=C(/O)c1ccc2c(c1)NC(=O)[C@H](C)O2)[n+]1cccc(CO)c1 1319524060 FYCNXAKJEURVQJ-ZDUSSCGKSA-O 410.475 1.620 30 10 HDEE COCCNC(=O)C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1349604497 PJEPJUBTIUCSGL-UHFFFAOYSA-N 424.295 1.701 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2ccc(/C=C\C(=O)OC)o2)c1 1355984384 QYWXPZOCALALFU-NTMALXAHSA-N 422.437 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1358890081 KQKRYWOBNLCKFF-XJKSGUPXSA-N 423.564 1.487 30 10 HDEE C#CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCC)[C@@H]1CCS(=O)(=O)C1 1358959381 HSBJZXHJHWBCJE-OAHLLOKOSA-N 402.476 1.711 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358963902 PRGOXPXBQWQHDL-DLBZAZTESA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1358974314 YSWPLUUMSMXVDI-JTSKRJEESA-N 416.489 1.545 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCN1CCCS1(=O)=O 1359011122 LGNDVNMPSDICCK-UHFFFAOYSA-N 423.489 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(C)COCCO2)CC1 1359040189 LACLFYIVIKPFQI-OAQYLSRUSA-N 403.527 1.347 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359081484 CIFLQFNWKXXJJG-WCQYABFASA-N 404.272 1.359 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359100795 GMSFZDXOBZPOEE-VYDXJSESSA-N 402.499 1.294 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359225625 FNFWCJYPDRPXHJ-FQEVSTJZSA-N 402.499 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2C[C@]2(N3CCOCC3)CCSC2)C1 1359322314 SZYZHUNPVDPABC-FXAWDEMLSA-N 407.584 1.830 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1359337082 JHIIVFDHZOCPSJ-LBPRGKRZSA-N 412.541 1.358 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@H]1C 1359472359 KOJXLWARUSDMGY-QHRIQVFBSA-N 402.455 1.142 30 10 HDEE CC(C)(Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359595970 XNDVVPHDISXZPM-JXFKEZNVSA-N 406.506 1.725 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@H]2C)CCOC1 1360347388 HLHCLUKZJTWMLS-BMQTXXJKSA-N 419.526 1.720 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1cnn(CCC#N)c1C 1436172344 HFZWKFSIKQHCES-UHFFFAOYSA-N 409.899 1.775 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1439220003 LJGRRGHZVSAKRD-PYCORMQUSA-N 411.458 1.528 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)COCc2nccn2C)c1 1441628765 DLWZCIGDWILOIT-PGMHBOJBSA-N 405.480 1.388 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CN(C)CCN1C 1444414886 QCNAARZLLRCPLE-OGMXJHDKSA-N 419.570 1.524 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)nc1=N 1448393108 QRZCDPMSFHLFDM-HNNXBMFYSA-N 419.530 1.911 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1455059052 BJKAUQPEEBZZBW-INIZCTEOSA-N 400.387 1.765 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCO[C@H](c2ccc(C#N)cc2)C1 1460859113 LXAHVERNLJAQTN-BEWREHSGSA-N 401.488 1.911 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460879015 GMHFWTOJBXLEDX-GQIGUUNPSA-N 402.520 1.484 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1468373884 RQWUJGXKFAGRGS-APPZFPTMSA-N 416.219 1.810 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1 1468991050 YFWSDYRQLYUNPF-QGZVFWFLSA-N 405.520 1.768 30 10 HDEE C[C@H](CC(=O)N[C@H](C)c1cc2n(n1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1469623417 VUCCJGBTUHBHBX-ZIAGYGMSSA-N 415.519 1.914 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2)nc1 1469763486 CQMCHIABSWTABI-GOSISDBHSA-N 405.458 1.785 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 1470956660 LLKYWTUQSZEMSW-SJLPKXTDSA-N 404.486 1.908 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OCC 1471118403 NPQRICYGMPPJNQ-YPMHNXCESA-N 403.863 1.847 30 10 HDEE C[C@@H](CC(=O)NC1CCC(C)(N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1471262922 VTBHKCVXBYTTIE-BQTBQCLESA-N 406.552 1.883 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)CCCOc2ccc(S(C)(=O)=O)cc2)C1 1471338363 XECNPETYCXWZNN-KRWDZBQOSA-N 407.536 1.598 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 1471894059 UHPRSIIZMYWHFP-MGPUTAFESA-N 405.426 1.607 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1 1474681399 GEIDLVHPGLPECB-UHFFFAOYSA-N 422.732 1.393 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc(S(=O)(=O)NCC)cc2)cc1 1478152341 OMJYORPTQWANTC-UHFFFAOYSA-N 401.488 1.996 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1503364898 LEGIEEOQRMLOLR-MSOLQXFVSA-N 421.505 1.400 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1)[C@H]1CCOC1 1503417012 ZFPDEUCIOHNNNR-KRWDZBQOSA-N 403.446 1.584 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC(C)(C)N1CCOCC1 1505058239 WMFJNYAJTYAHMA-SQNIBIBYSA-N 420.558 1.851 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1507628174 GNGIKMSVQIWCEK-INIZCTEOSA-N 419.551 1.461 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1507631144 BNMLIMWLUWCZQZ-ZACQAIPSSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507631450 DNJZIPICTAWQGM-PXNSSMCTSA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1507634195 XAQZHUFLSWOZNG-KURKYZTESA-N 404.536 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@](C)=O)CCC1 1507651106 BZKBLGUJIQARIK-PMERELPUSA-N 420.542 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1507766113 YNWYXSVHFMLYNO-BEVDRBHNSA-N 423.583 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOC)[C@@H](C)C1 1508081676 MMHFZIRALUSCPX-INIZCTEOSA-N 416.501 1.543 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN2CCCCC2)C1 1508090438 NLQOQXTWNUOGAB-MOPGFXCFSA-N 416.570 1.787 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1508097823 KZYDKJLAOPWASO-OXQOHEQNSA-N 423.583 1.810 30 10 HDEE C=C(C)C(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1521561847 FGQFPTYLTAWXFP-UHFFFAOYSA-N 407.492 1.453 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1530725940 WMKIWHAGYKYBCY-SOLBZPMBSA-N 408.520 1.643 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)nn1 1536910431 VOPVJZGJCXYFIJ-GFCCVEGCSA-N 404.268 1.896 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1538325525 GKLIISUSOLOASU-OAHLLOKOSA-N 421.397 1.492 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCC1(CS(C)(=O)=O)CC1 1538871366 OZYKHALLGXFAEP-CQSZACIVSA-N 401.529 1.905 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538982928 LVKBSXXYYNXFTD-HZPDHXFCSA-N 417.535 1.693 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1539023948 RDFYXPMEDQEICR-KDOFPFPSSA-N 419.489 1.796 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(F)(F)CC1 1539239765 QPNOUJRLTVFOED-CQSZACIVSA-N 413.494 1.787 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1539343139 FVOKRKLRLHWBMI-SJORKVTESA-N 418.567 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)SC)CC1 1539484065 AYOLXFYVZOZFBG-INIZCTEOSA-N 412.563 1.981 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCCCO1 1539496911 JBFRYANFJWKKGQ-CABCVRRESA-N 415.585 1.260 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)CC1 1539674580 BPXMVJWJJMJZCC-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(C)C)C(=O)C1 1539980842 AAWAWYUMWWNEAG-HNNXBMFYSA-N 412.560 1.159 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CC(=O)NC(C)C 1540868582 JZEQVQFKRLXWLA-UHFFFAOYSA-N 409.494 1.689 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540875582 QIFFMVCOYUGRJS-PBHICJAKSA-N 403.458 1.506 30 10 HDEE Cc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCC[C@@H]1NC(=O)NC1=O 1543263734 GSEKLOHWMMYEJJ-MOPGFXCFSA-N 421.505 1.906 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CNC(=O)C[C@@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1545718523 KEZBZYMPTCSUMP-CABCVRRESA-N 410.396 1.772 30 10 HDEE COC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(Br)cc1C#N 1546256521 AZMBENVVEVDNLM-AWEZNQCLSA-N 410.268 1.754 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)C1 1558329147 KTJYBBXZKORWDB-MRXNPFEDSA-N 417.556 1.970 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(OCc4ccccn4)cc3)C2)c(=O)nc1O 1558805506 OUNLXLPJZRVCFX-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE Cn1ccnc1[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C(C)(C)CO 1564530618 GEFDDRGVFARWSY-KKUMJFAQSA-N 420.514 1.538 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@]2(C#N)CC3CCC2CC3)c1 1565853153 KCWZSPLRMUUBPT-LAGYLCCXSA-N 405.520 1.948 30 10 HDEE CC(C)(CO)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1570776105 PJXGQICDSQPKOP-SFHVURJKSA-N 416.503 1.763 30 10 HDEE CCOC(=O)[C@H]1CSCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1586758449 NGFPEXNSRLCBNS-CQSZACIVSA-N 400.453 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1588124631 PIIRRHJOVJEJFH-QGZVFWFLSA-N 401.478 1.210 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589514452 GLXSZSQTBLCAFI-BQFCYCMXSA-N 419.551 1.888 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cncn2)C1 1594567949 UIWLXMBIGATXQP-CVEARBPZSA-N 422.559 1.678 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(C)=O)CC1 1595476301 JQJIQGNYGMUOEK-IBGZPJMESA-N 410.522 1.791 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)C(C)(C)C)C1 1595715110 SFWOJANTNKWMCC-OAHLLOKOSA-N 420.539 1.730 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1598209141 ZAWIGSZZMRWGDH-CQSZACIVSA-N 403.460 1.089 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1611164094 AYIWPSNTEFAVFL-FZMZJTMJSA-N 403.338 1.624 30 10 HDEE CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1613663077 WTUZPLPXLYXDPJ-AITUJVMLSA-N 418.542 1.604 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1616345835 CAVSKHIAXLYEHP-PDRMZZPLSA-N 406.483 1.713 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1617180500 WWLFRFVOROBEAP-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1617312725 KRTJMAKBRRGEIB-GJZGRUSLSA-N 403.508 1.865 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H]1C 1618895426 OMDZBPIHHPPAAL-AWEZNQCLSA-N 421.465 1.270 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C1CCOCC1 1623125361 QVNFYJHPNQFDCF-INIZCTEOSA-N 407.492 1.686 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc3c(c2)OCO3)s1 1623354933 HJEQFHMALFIIOP-UHFFFAOYSA-N 408.501 1.843 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 1627389761 KTOBUZHITIPFBN-QGZVFWFLSA-N 402.495 1.833 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1 1627696552 JXIPMYKRFRGMGD-LJQANCHMSA-N 420.531 1.286 30 10 HDEE C[C@]1(C2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)NC(=O)NC1=O 1628791659 VUVKNIFQKDGKFL-OAQYLSRUSA-N 411.462 1.504 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)c1 1637728360 PGBSBTZPCZLNCZ-SIJIIQCFSA-N 422.425 1.724 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1638046259 DDIUHKXHLYIGJO-ZFWWWQNUSA-N 409.895 1.600 30 10 HDEE C[C@@H](CC(=O)NC1CCN(C2CCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1640821056 HGGYNDPECHGZHT-AWEZNQCLSA-N 404.536 1.637 30 10 HDEE C[C@H](C#N)N(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1CC1 1640987418 XEYNGZLTDVPJFC-XOUADPBQSA-N 411.524 1.560 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)ccnc12 1642606971 MHTOJODEOIATTL-NRFANRHFSA-N 404.430 1.999 30 10 HDEE C[C@H](CC(=O)N1CC[C@@H](c2nccs2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1643588197 INHPMPOAPGKDRX-CHWSQXEVSA-N 404.517 1.976 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@@H]1C(=O)OC 1648605425 SCSWJHNUCHGGLD-NXHRZFHOSA-N 401.463 1.524 30 10 HDEE CN(CCOc1ccc(Br)cc1)C(=O)Cn1cc([N+](=O)[O-])c(C#N)n1 1652117592 KWYLXUVXQSCHLK-UHFFFAOYSA-N 408.212 1.963 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)CC1 1652325324 PPAUESPGOHHTOD-ROUUACIJSA-N 420.554 1.832 30 10 HDEE CN(C(=O)CN1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1)C1CCCCC1 1653317343 VZWDZZWKZBZDJE-FQEVSTJZSA-N 406.571 1.466 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1655200378 WIGHLYIORBCWNT-HTAPYJJXSA-N 414.554 1.936 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccccc1 1660229558 HAIBMFAQKHZDKM-SIKLNZKXSA-N 400.523 1.747 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 1660311208 CTTOFMUEUHYDLW-UHFFFAOYSA-N 424.454 1.577 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c1 1660334501 BLLCJXZEBFVEEU-UHFFFAOYSA-N 411.549 1.633 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)Cc1cc2c(cc1Br)OCO2 1664192796 HEQJHZKCCRXEIN-UHFFFAOYSA-N 403.298 1.552 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cc(C(N)=O)n(C)c1 1664194884 WSAUXJDCVOLYIS-UHFFFAOYSA-N 424.523 1.147 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OC 1671561467 MYAPSUYAJSMPHW-ZDUSSCGKSA-N 403.428 1.797 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CCO1 1673400619 KXBZPPPUZAAIEC-HXUWFJFHSA-N 411.462 1.880 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)CC1 1676086753 AYTWXOCSGTVXGM-UHFFFAOYSA-N 405.524 1.388 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1 1689824637 UPYVYWOMXDCKSW-SJORKVTESA-N 411.510 1.352 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1689893105 UIGWQMPYCCALIZ-ZACQAIPSSA-N 419.551 1.231 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1689966634 XSJYZOYWGJGRKS-KRWDZBQOSA-N 418.542 1.752 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1689989627 HKGZQWIMPQJSHU-IRXDYDNUSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1690019894 UHGWDDAAQGRYGV-IBGZPJMESA-N 421.501 1.370 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N(C)C1CC1 1690025625 YBQCUUNOYPQBJK-MRXNPFEDSA-N 410.547 1.825 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1690075174 DOFDXYZAYHPOPN-MRXNPFEDSA-N 418.542 1.940 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC(C)CC1 1690102391 KCAWSTMRCHNYRL-QZTJIDSGSA-N 402.543 1.436 30 10 HDEE C=C(C)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1690296900 VGFBUVSSGFRINP-GOSISDBHSA-N 400.545 1.766 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690503663 KAUOOGVHBXEXDY-SFHVURJKSA-N 407.478 1.623 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)cc1 1690723506 UDJDYRVXCWRTAT-MRXNPFEDSA-N 421.498 1.606 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1695442420 BAMPNNMNKDJMNJ-HXUWFJFHSA-N 416.457 1.834 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1695498430 RSZDGFJZYAGDFW-OAQYLSRUSA-N 407.478 1.154 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCC(OC)CC1 1698172073 UKXXLHXENKWRLN-BFWZDYSYSA-N 407.515 1.936 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](F)(C#N)C1 1698318167 WBSRVXJFVCOFKN-GOSISDBHSA-N 417.470 1.198 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1705483700 AEYZRKDPCKYZBL-MRXNPFEDSA-N 416.547 1.905 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CCC)C1 1705533880 SXZDDGHBGFEGDS-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1csc(C)c1)[C@@H]1CCS(=O)(=O)C1 1705566706 PNNGZWDWFJOBOD-IAGOWNOFSA-N 420.560 1.827 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CC(F)(F)CO2)CC1 1705641139 SVXABTUTDFWTIM-QGZVFWFLSA-N 402.449 1.443 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nnc(C)s2)CC1 1705782051 NGBDQZGNDMAPIB-OAHLLOKOSA-N 422.580 1.985 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC2)C1 1705915411 UIVDSFAMGHAHBK-GOSISDBHSA-N 402.543 1.781 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC(=O)N1C 1708233789 BLIOBBDRVBIOOO-QFBILLFUSA-N 422.489 1.741 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CCOCC1 1711417582 ANGFOTSYNWEJQD-UHFFFAOYSA-N 418.523 1.229 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722315948 WSXVHECMNBAVRV-IEBWSBKVSA-N 414.554 1.722 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1722356426 NUOZUVFSMIBKQE-KRWDZBQOSA-N 402.520 1.576 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCC(=O)NCc2ccccc2)CC1 1722436779 FRTOMQZLMJLUQN-UHFFFAOYSA-N 408.550 1.938 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC(OCC)C2)CC1 1722579077 IOZIMPXAIHDIAI-UHFFFAOYSA-N 403.527 1.733 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722635421 QIDHTJQXJFQILV-KRWDZBQOSA-N 407.452 1.025 30 10 HDEE CC(C)COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1723524479 LKHXXSDSZUMREV-PBHICJAKSA-N 416.523 1.393 30 10 HDEE CO[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729834865 CMZWPRWYSALUNZ-CQSZACIVSA-N 405.462 1.834 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1731188560 HWGJLKQMLISUHH-NVXWUHKLSA-N 401.492 1.499 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1740640011 HVTHFZJGNJTPIM-OAHLLOKOSA-N 404.442 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CC23CCOCC3)CC1 1740691312 ZBSCVQOECGUMDN-OALUTQOASA-N 417.554 1.574 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1740825309 LRXUTLUXPHTKFF-ZWKOTPCHSA-N 421.567 1.595 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCn2cnnn2)CC1 1740835277 DELPELCHVZQNJE-HXUWFJFHSA-N 416.530 1.798 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCN(C(C)=O)C1 1740895204 URZKTYJSLVZWBB-KRWDZBQOSA-N 421.509 1.802 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1740897904 YMKOONATJMGUOX-UHFFFAOYSA-N 419.449 1.369 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1740955327 QGCKNVDZAWOGKR-UHFFFAOYSA-N 405.462 1.074 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(Cc2cccs2)CC1 1740959194 NAVNDUXGGLSKNF-UHFFFAOYSA-N 424.534 1.421 30 10 HDEE CCCN(CC)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1745600759 NRMGPHVLRLHUBL-UHHPSXQGSA-N 402.499 1.935 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1747900750 FXMDYUIDXYTCGU-VQTJNVASSA-N 419.489 1.826 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1748744148 UEWFQHYEGKBLRN-KRWDZBQOSA-N 412.515 1.994 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1748751085 BPJLPZANEWODNA-TWMKSMIVSA-N 407.540 1.259 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCSCC2)CC1 1748990858 MUKSWAGQFPGHFM-SFHVURJKSA-N 404.584 1.324 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(C)(C)N2CCOCC2)CC1 1748993151 QADYSSDLGOZUHK-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749119167 OLFIATQKONXQQZ-AEFFLSMTSA-N 411.572 1.818 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC(C)(C)C1 1749597883 PALUIYKRDDGCKZ-KRWDZBQOSA-N 404.559 1.990 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H]1c1nncn1C 1749669009 BOAKNLJCDZXCRW-GJZGRUSLSA-N 400.487 1.292 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)C)CC1 1749745227 WPQXDEFNUPRPEQ-HNNXBMFYSA-N 416.617 1.338 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1750071269 YKICDBSWHQVCQV-MNOVXSKESA-N 406.384 1.742 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1750344093 DVJDTQOODCJYCY-ALTPTNCPSA-N 404.446 1.103 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1750380399 QHISRPTULDMZOM-ZWSWSHGQSA-N 413.457 1.904 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)[C@@H](C)CC#N)n1CCCNS(C)(=O)=O 1751678710 HBKLUUONABODIL-INIZCTEOSA-N 404.540 1.855 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1760138105 REQUTAZNKGOOIP-OKZBNKHCSA-N 407.584 1.903 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1760236166 LHMADYQDQDATJS-UHFFFAOYSA-N 404.474 1.636 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@H](F)C2)CC1 1760264793 FOVKOUDDOYZCBC-WBVHZDCISA-N 418.517 1.520 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760336230 WHVNUIXMVICNRJ-RUENVJTFSA-N 416.526 1.267 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1760440165 CSLZSXNZMGKTRS-FCEWJHQRSA-N 410.540 1.531 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccccc1F 1760454056 UPMPWWUZBCQDRE-UHFFFAOYSA-N 400.458 1.705 30 10 HDEE C=CCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513140 LXLOZPUSNLILSI-OXJNMPFZSA-N 404.515 1.545 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCCCCC2)C1 1760541455 CDXQFQXLCJEIFG-ROUUACIJSA-N 402.543 1.887 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CC1 1760606380 GEXOLDQSHUNAGJ-UHFFFAOYSA-N 405.466 1.155 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(Cl)cn1 1761237781 BFVKLEIYQZBVGQ-AWEZNQCLSA-N 419.873 1.272 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1761544557 GWBBWJZHRBKNFO-XLIONFOSSA-N 414.535 1.829 30 10 HDEE CCOC1CC(O)(Cn2c(C(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)C1 1766144198 HNEBCGCNPFXSSV-UHFFFAOYSA-N 412.494 1.866 30 10 HDEE CC[S@](=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766751140 NGXCHMAYULRVSS-AFRUXQHESA-N 406.556 1.117 30 10 HDEE COC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1 1769461234 HOUWGHUPBIXBEX-IBGZPJMESA-N 421.477 1.337 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1770318303 BDFUGDYURTVADM-HNNXBMFYSA-N 400.464 1.800 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C/c2ccccc2)CCO1 1770749517 ZQYGKNFELVDOKI-DSCOKBBTSA-N 413.503 1.622 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCc2cccc(C(N)=O)c2)CCO1 1771537040 GPWPKIBWJCOCHK-KRWDZBQOSA-N 403.446 1.410 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1772564792 OYQNNXVXZTVXDM-OAHLLOKOSA-N 409.556 1.641 30 10 HDEE C=CCN1CCN(C(=O)CN2N=C(c3nc(-c4ccc(C)cc4)no3)CCC2=O)CC1 1848515106 PYSBTLOSDIFZME-UHFFFAOYSA-N 422.489 1.702 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)[C@@H]1CCN(C)C1=O 1849168410 YZGVXRVCHCMVGV-OAHLLOKOSA-N 411.549 1.394 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)c1 1849764917 KTQCITAHPXSMLT-UHFFFAOYSA-N 410.499 1.961 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N([C@@H]3CCc4ccccc43)C2)c(C#N)cc1C#N 1850722378 AJBSQOSUAXSJDG-SJLPKXTDSA-N 401.426 1.730 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)c3ccc(OC)cc3)nc2)CC1=O 1851702443 SQCHJUDCTZFDKP-AWEZNQCLSA-N 415.471 1.896 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)cc2)CC1 1851842133 DOHXTVLNGJDMDE-UHFFFAOYSA-N 418.441 1.923 30 10 HDEE C[C@@H]1CCCN(C(=O)CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852146333 DAPAVPFLMQFZQT-NQIIRXRSSA-N 401.507 1.913 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3noc4ccc(C)cc34)[C@H](C)C2=O)CC1=O 1853618204 YOUPLOQFNISTGF-HZPDHXFCSA-N 410.474 1.730 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C4CCCC4)C3=O)CC2)CC1 1853730386 OKARIEIVZAKKOL-IBGZPJMESA-N 400.523 1.778 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1CC(=O)N(C)Cc1ccccc1 1853821953 HQMCMQUZOWKRPK-QGZVFWFLSA-N 404.470 1.890 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccccc2-n2cccc2)C1=O 1854283167 XZIVFYFFDGIGDJ-PMACEKPBSA-N 406.486 1.937 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@H](F)C2CCCC2)C1=O 1854283922 QEZSGZLYRVEKAF-ZWKOTPCHSA-N 414.485 1.515 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C(=O)C2)C1 1854949617 IQTOJDGIEWEEKI-IRXDYDNUSA-N 421.542 1.291 30 10 HDEE C[C@H]1CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855421620 WVBASJKQHIODEA-LPHOPBHVSA-N 417.531 1.517 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nc4c(s3)CCC4)[C@H](C)C2=O)CC1=O 1856560417 ULWFNUASPUDFLS-ZIAGYGMSSA-N 402.520 1.226 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C1(C)C 1856746237 KTSFVNRXZJKZDG-ZDUSSCGKSA-N 404.902 1.708 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 1856890345 XPMDJNJZVOVPTO-HUUCEWRRSA-N 423.922 1.514 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C[C@@H](CN4CCC(CC#N)CC4)CC3=O)C2)no1 1857206542 FRQVDUGYQDFYLF-MRXNPFEDSA-N 413.478 1.056 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc(Cl)c2C)C1)[C@H]1CCN(C)C1=O 1857300151 YUFVKBZWPMNFIF-YOEHRIQHSA-N 404.898 1.751 30 10 HDEE C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cnn(C)c3)cc21 1857631387 NHSIUZUXAMTREQ-QGZVFWFLSA-N 405.410 1.476 30 10 HDEE CC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccccc3C#N)n3ccccc23)CC1 1858242847 ITRCVOQCWTYOMI-UHFFFAOYSA-N 416.441 1.763 30 10 HDEE C=CCn1nc(C(=O)NCCCN2CCCC2=O)c(I)c1C 1871321909 UAYGFYYUSCKOMH-UHFFFAOYSA-N 416.263 1.724 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c(N2CCOCC2)n1 1871657624 UEJRPUNZVKCVQR-UHFFFAOYSA-N 410.526 1.223 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)CC1 1872908471 UDBOSDCXMMPCPE-QGZVFWFLSA-N 412.490 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C=O)(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1881628210 AFLNLPIQDCZTRZ-SZNDQCEHSA-N 402.447 1.860 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(C)nc(N(C)C)n3)CC2)cs1 1889490950 RPRPHMPTALQTNX-UHFFFAOYSA-N 415.523 1.186 30 10 HDEE COc1cccc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890143978 KYYJCNYDCJRVPW-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1nn(-c2ccccc2)c(=O)c2ccccc12 1890275255 BWFXHXSPYLKFCE-UHFFFAOYSA-N 402.454 1.451 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)Cn3nc(-c4cccs4)ccc3=O)C2)c1 1890574881 YXCJMMFEUQOEHQ-OAHLLOKOSA-N 407.455 1.918 30 10 HDEE CC(C)(C#CC(=O)NCCn1cc(Br)nn1)NC(=O)OC(C)(C)C 2023965831 JLACUURVSCKWEV-UHFFFAOYSA-N 400.277 1.464 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)C1 2054408626 UADDBIQWGRWCTM-GOSISDBHSA-N 406.508 1.715 30 10 HDEE N#Cc1cccc(OCCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 2127696122 AWYPUAJMNLDOCA-UHFFFAOYSA-N 413.455 1.543 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 2163554918 HLDVPHWTKNGWFL-UHFFFAOYSA-N 415.899 1.908 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 2186720528 JIILGHQTDIFGNP-CVEARBPZSA-N 402.442 1.825 30 10 HDEE Cc1cnc(O[C@H](CNC(=O)OC(C)(C)C)C(N)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2217464116 NAJCIXIQRZCMHV-CQSZACIVSA-N 421.303 1.447 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@H](CO)C1 2247279903 VYMOLSHINYDPOQ-INIZCTEOSA-N 419.331 1.799 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@H](O)C1 2247286413 JXLINSONVJXZKM-INIZCTEOSA-N 419.331 1.799 30 10 HDEE Cn1ncc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247779566 WGIAKEURCSTVOX-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C[S@](=O)CC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267380137 ZIXMFGSSKAJMQL-DEOSSOPVSA-N 405.372 1.046 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N3CCC4(C3)OCCO4)c2)OC1(C)C 2267472598 SLCBJWLZIVTXRD-UHFFFAOYSA-N 409.313 1.264 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NC[C@@H]2CCCCS2(=O)=O)OC1(C)C 2282004872 MFYJXQQEHNFQBZ-NSHDSACASA-N 400.331 1.139 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314324 XVNKFKUDVNJATD-WCQYABFASA-N 400.375 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CO)C2(C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282318718 JRDKJLCEZDWYFF-GFCCVEGCSA-N 401.359 1.795 30 10 HDEE C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332331 ZHNCGPLAJHKPJI-GXTWGEPZSA-N 401.359 1.971 30 10 HDEE CN(C)CCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498719 IHUBYUWJOPYAQA-UHFFFAOYSA-N 403.379 1.204 30 10 HDEE C[C@@H]1CCSCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503308 YEOMINMOFRDLEB-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CN(CC1(O)CCC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505222 ALRDQPGVKYWEHZ-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282512652 UXLSFOMYYLZRHG-UHFFFAOYSA-N 400.737 1.823 30 10 HDEE CCN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2282517424 RWQKBGMOESSOCY-LLVKDONJSA-N 400.331 1.092 30 10 HDEE C[C@@H]1CO[C@H](CO)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282623685 HJWUHCFSOSDING-MNOVXSKESA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CNC[C@H](F)C3)cc2Cl)OC1(C)C 2282829936 MWCIIWNELYCBBL-ZJUUUORDSA-N 424.756 1.679 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842132 TWRXFQHOTBEIAS-INIZCTEOSA-N 421.415 1.581 30 10 HDEE C[C@@H]1CC[C@@H](CO)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850139 LLTRCPWWJCNDKP-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CCCC3(CC2)OCCO3)OC1(C)C 2283072013 LNPUBOCHPWUHGY-CQSZACIVSA-N 403.288 1.581 30 10 HDEE CCCN(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284416270 WEPOKWVQUSAFCH-UHFFFAOYSA-N 403.331 1.841 30 10 HDEE COc1cc(C=Nn2c(C)nnc2SCCO)ccc1OCCN1CCOCC1 2321199025 HFRFPQHVDHZUAL-UHFFFAOYSA-N 421.523 1.273 30 10 HDEE C=C(Cl)CONS(=O)(=O)c1ccc(OC)c(B2OC(C)(C)C(C)(C)O2)c1 2360480076 VYWBKFLWXCPVNN-UHFFFAOYSA-N 403.693 1.957 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](CP(C)(C)=O)C(=O)O)ns2)OC1(C)C 2360619865 BRMYAOSKHAZYPU-SNVBAGLBSA-N 402.218 1.248 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365200664 ADWRRVXMCYMLQF-CVEARBPZSA-N 402.557 1.802 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)COC1 2365206259 XWZWCFJGTNSULG-OAHLLOKOSA-N 402.557 1.723 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367813215 AYARCIIFPSNWAG-HNAYVOBHSA-N 400.541 1.437 30 10 HDEE COC1(C#C[C@H](N)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)CCCCC1 2379895989 RCENCIUVBOYZRX-HNNXBMFYSA-N 400.541 1.701 30 10 HDEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CCCC2)N2CCC(C(N)=O)CC2)n1 14161093 NGEYEPBFIWUWIT-UHFFFAOYSA-N 403.556 1.876 30 10 HDEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 96966414 IODNOWZXHUDYHP-ZDUSSCGKSA-N 400.451 1.032 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccnc2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103118220 GUDFBNINGRTIND-HMNTXPNISA-N 413.386 1.420 30 10 HDEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 431248503 RCURFBOMZAPBGW-GQIGUUNPSA-N 406.504 1.658 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 432584789 ASUFCDMWGREMFB-SFHVURJKSA-N 412.490 1.764 30 10 HDEE C[C@H](NC(=O)CNC(=O)CN1CCN(c2ncccc2C#N)CC1)c1ccc(F)cc1 432954437 NKGZNLUQZRVVJQ-INIZCTEOSA-N 424.480 1.208 30 10 HDEE COCCCN(C(=O)c1cc(C#N)cn1C)c1c(O)nc(=O)n(CC(C)C)c1N 433500129 GNCRJGIJPBPPRQ-UHFFFAOYSA-N 402.455 1.081 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)C2)nc1 436868965 JYTYBCAZQUKLMO-FUHWJXTLSA-N 406.442 1.943 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)CC1 438242999 ZBYQESMPQIHIPK-HNNXBMFYSA-N 403.483 1.112 30 10 HDEE COC(=O)CC1(NS(=O)(=O)c2cccc(Cl)c2C#N)CCS(=O)(=O)CC1 439097343 XVQUUINRDVXCGU-UHFFFAOYSA-N 420.896 1.000 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCO1 440390705 ZNTJKLXNTMJQCC-XJKSGUPXSA-N 411.483 1.672 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2C1=O 446335489 YNDCGZLLHMKJAS-LUVWLHFXSA-N 419.437 1.006 30 10 HDEE C[C@@](O)(Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468213408 WZBJKTQVGMAKPY-OAQYLSRUSA-N 413.499 1.385 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 468232512 ZEFKACFIPGNMDR-GOSISDBHSA-N 400.523 1.745 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3ccc(-n4cncn4)cc3)CC2)c1C#N 471858662 IAOBLYGFPMVQIS-OAHLLOKOSA-N 419.493 1.774 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)CC2)n1 474173093 VEJHWCUTJRMPLN-RBUKOAKNSA-N 409.490 1.043 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)C2 483093650 XACHZAJKJDVACW-PNLZDCPESA-N 415.490 1.842 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3cccs3)CC2)cc1 505147723 CRMFDVLCTXWDKU-UHFFFAOYSA-N 405.501 1.968 30 10 HDEE CNS(=O)(=O)c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s1 505747236 HWELBFQIVSGTQS-MRXNPFEDSA-N 401.510 1.534 30 10 HDEE CC(C)(C)NC(=O)CN1CCC(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507275475 AZYMRXRYRYULIW-JOCHJYFZSA-N 422.570 1.991 30 10 HDEE Cc1occc1C(=O)NC1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 512469797 SZVNSMYZWDMUIK-FQEVSTJZSA-N 415.538 1.475 30 10 HDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3cccc(Br)c3)CC2)n1 517191956 KWSADCLLEUCOCA-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCNS(=O)(=O)Cc1ccon1 530934892 AOGFZHQAXLLYEQ-QGZVFWFLSA-N 406.464 1.185 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4nnc(C)c(C)c4C#N)CC3)C2=O)n(C)n1 540956719 RPJNACWXJTUWOG-GOSISDBHSA-N 408.510 1.325 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@](C)(CC)C1 579688065 URWDXXYJVQFXJQ-MAUKXSAKSA-N 413.544 1.192 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1C#N 589906547 MJYXPPSLCMMBNN-QGZVFWFLSA-N 420.516 1.857 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 610765405 OSEMKDRLHXBOBA-INIZCTEOSA-N 422.445 1.604 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN([C@@H](C#N)c3ccc(Cl)cc3)CC2)C[C@@H](C)O1 619753647 ZWXJGLHRLHCMNU-DAYGRLMNSA-N 412.943 1.876 30 10 HDEE C#CCN(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)[C@H]1CCS(=O)(=O)C1 729334398 ODHSCUUWDPUVIE-ZDUSSCGKSA-N 406.460 1.456 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 729334841 WOIWBYDHBQYTSG-HKUYNNGSSA-N 417.531 1.888 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CCN1C1CC1 732707150 VCDAMXBDYXSAPN-CQSZACIVSA-N 424.242 1.428 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(C)cc1Br 742279782 YWDLUVBMQZAXTA-SNVBAGLBSA-N 412.352 1.630 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1 748064115 KDYHJFGORNQZOG-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 758165264 CAUGFPRZVHIBRF-QGZVFWFLSA-N 408.543 1.470 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CC2)n1 761101477 PATCNIFCTDTQOX-UHFFFAOYSA-N 420.473 1.077 30 10 HDEE CNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CCOCC2CCC2)C1=O 764936538 BHOIIHIWTZBYLJ-LRWZUSMTSA-N 404.536 1.877 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccc2c(c1)OCCO2 766325034 CVQYXSMTEFYIDL-CYBMUJFWSA-N 402.428 1.740 30 10 HDEE N#Cc1ccc(CSCC(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1 770369086 SDNPKEYDZHGGPO-IEBWSBKVSA-N 401.444 1.910 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H](C#N)c2ccc(F)cc2)C1=O 771242353 GJBGGWAZRLUZFJ-IIBYNOLFSA-N 410.405 1.982 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2ccn(CCC#N)n2)C1=O 771362422 UITMBVJSWWDRMQ-FQEVSTJZSA-N 410.434 1.520 30 10 HDEE Cc1ccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCc2nnnn2C)cc1 771545877 UZQXUBMQZUQBIL-HNNXBMFYSA-N 413.507 1.361 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 777753561 ANVLVDNHPTYHKV-WBVHZDCISA-N 406.527 1.803 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C#Cc4ccccc4)CC3)C2=O)n(C)n1 780566254 PDHAQASYBMLLCT-FQEVSTJZSA-N 405.502 1.420 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)C(=O)[C@@H](O)c1ccc(C#N)cc1 780907145 HGLKRPCWZRQWQG-IBGZPJMESA-N 402.472 1.923 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nn(CN2CCO[C@H](C(=O)NC)C2)c1=S 781576103 CXSPHQXPJBZVRZ-KRWDZBQOSA-N 417.535 1.892 30 10 HDEE COC(=O)CCN1CCC(=NNS(=O)(=O)c2ccc(Br)cc2)CC1 788698273 XLIFKJKESFDOKS-UHFFFAOYSA-N 418.313 1.742 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CC[C@H]2C)C1=O 795181759 CGDDCROAJVEKLE-NYAZBZTNSA-N 424.548 1.069 30 10 HDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 802387281 KTMUOGYICMRRFJ-IBGZPJMESA-N 412.494 1.206 30 10 HDEE CC[C@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 803786077 BJWYNMPNQBKEAB-KRBJHKROSA-N 419.503 1.614 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)cc1C#N 804004801 QKJSYDJNIYNTBJ-SFHVURJKSA-N 406.442 1.100 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(c1ccc(S(N)(=O)=O)cc1C#N)C2 804701813 LOTTYPOXQZRECW-UHFFFAOYSA-N 420.516 1.019 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)Cc3ccc(OCC#N)cc3)CCO2)C1 817541045 CEYXIVNFLSWBEY-UHFFFAOYSA-N 401.463 1.980 30 10 HDEE C#CC[C@@]1(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1130618837 PBQCKJJAHGQGLE-FQEVSTJZSA-N 402.451 1.065 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1cccc(Cl)c1 1134055663 CUEJKSFPTIGCQF-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE N#C[C@@]12CN(C(=O)c3cn(-c4cccc(Cl)c4F)nn3)C[C@H]1CS(=O)(=O)C2 1134056936 WFYWZNYEAYEJIW-QFYYESIMSA-N 409.830 1.070 30 10 HDEE N#C[C@H]1CN(C(=O)c2cnn(-c3ccccc3)c2I)CCO1 1136625916 DUYRABCXEDMFJD-LBPRGKRZSA-N 408.199 1.841 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n(C3CCOCC3)c2C)CC1 1136632841 OTPGVQHQSAUAHF-UHFFFAOYSA-N 400.523 1.354 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)CCC2=O)cn1 1137430336 LRVMWWJXSGZFDR-INIZCTEOSA-N 403.446 1.741 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)C[C@H]1CCCO1)c1cc[nH]n1 1142263173 DTCWCRHSSJFJES-QGZVFWFLSA-N 414.462 1.901 30 10 HDEE CC(=O)NC[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1142579001 JGVMGXHRWOTPII-SJLPKXTDSA-N 411.462 1.138 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1c(C)c(C)cc(C)c1C)C1CCN(C)CC1 1156647958 ZNYMREBFCYAPIR-UHFFFAOYSA-N 405.564 1.755 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3ccc(C)cc3)n2)CC1 1175514661 CPVFXEQLXJYMFJ-UHFFFAOYSA-N 418.544 1.273 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@]3(CO)c3ccccc3)CC2)o1 1176960479 ZMQDEDJNYHTSFR-QFIPXVFZSA-N 409.490 1.487 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)ccc1F 1181579758 IQJUOXQEHLFOJI-CQSZACIVSA-N 419.482 1.431 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(OC)cc2C(=O)OC)c1 1185624144 FJMBPFNUQWZLRW-UHFFFAOYSA-N 416.455 1.722 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1191211941 RROMSMDUBLXUDO-QKVFXAPYSA-N 407.311 1.485 30 10 HDEE COC(=O)C12CCC(CC1)N2CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1196906671 DCVKSSFZGDWTQL-LFDOHDQPSA-N 402.520 1.627 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1224267019 UUXNELGAWDKWLQ-GFCCVEGCSA-N 406.382 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)CSCC#N)CC2)CC1 1279985453 WEGUCXQSWQDLBZ-UHFFFAOYSA-N 411.528 1.060 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1286291229 UIUMCXALSUMZHF-PBHICJAKSA-N 417.473 1.939 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1286343462 VGNLROIYWBXQSL-WBVHZDCISA-N 409.556 1.555 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1(=O)=O 1286413232 SSPJSXUESRBIER-KRWDZBQOSA-N 402.545 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C)C1 1286561614 CDODBALSKLOAEU-CLWJZODNSA-N 403.527 1.995 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1286784418 HBOLUMWUGBGPSB-UHFFFAOYSA-N 421.505 1.471 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(N(C)C(C)=O)CC1 1286788655 AVCDNUANZKIQQU-UHFFFAOYSA-N 424.549 1.927 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCOC[C@H]1C 1286793324 VWJSXNPOFAZJGH-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)C1 1288977164 KHULQNLCQHOIND-FRQCXROJSA-N 423.539 1.116 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CCC4(CCC4)O3)CC2)cc1 1290635795 CEEBTPYHDDBDTB-QGZVFWFLSA-N 403.504 1.883 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1291871876 NPRVREARNFWFKH-MRXNPFEDSA-N 414.243 1.513 30 10 HDEE CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1292381929 KOTOFXCKJSZCRI-GOSISDBHSA-N 411.462 1.094 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)[C@@H](O)Cc2ccccc2)s1 1295329188 RMKTXCSSHHIWPT-PBHICJAKSA-N 408.545 1.863 30 10 HDEE C=CC[C@H](NC(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1296237124 VFVJRLRYBMTBOU-CVEARBPZSA-N 421.519 1.908 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1297586512 KDHACFBTYYDQBW-UHFFFAOYSA-N 413.482 1.227 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1299333882 IXTFPSYEAQAKFE-SFHVURJKSA-N 410.478 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1300320275 FMYXBKMMBGDCHJ-INIZCTEOSA-N 418.567 1.955 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300400061 STDWPDDTFKWCLQ-MRXNPFEDSA-N 416.503 1.753 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(C)cc1OC)[C@@H]1CCS(=O)(=O)C1 1300497246 ACXJCZBUWDIPBX-QGZVFWFLSA-N 402.520 1.833 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC12CCOCC2 1300506795 ZDVNAZVQRKDWCZ-QGZVFWFLSA-N 404.474 1.815 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCn1ccnc1C 1300531890 IQQRUWIOXFYEJK-UHFFFAOYSA-N 405.462 1.674 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCn1cc([C@H]2CCOC2)cn1 1300553681 OWMYIVLLRCMZSI-SFHVURJKSA-N 423.521 1.280 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ncn(-c2ccccc2)n1 1300553827 UPTXRRACMGSVFZ-UHFFFAOYSA-N 416.489 1.508 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300844807 RVJSBVAFIAYAQY-OLZOCXBDSA-N 418.299 1.606 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](COC)C1 1301515650 WKWPTATYWCRKFN-QGZVFWFLSA-N 410.478 1.504 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)c1 1302875794 DAWISZWKXWUXBB-MOPGFXCFSA-N 405.458 1.685 30 10 HDEE COc1cnc([C@H]2CCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)nc1O 1304663981 YONAOONVTJEJJK-OAHLLOKOSA-N 412.450 1.939 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](C)CN1CCOCC1 1304856323 NJRTUWKHLSIEMS-KRWDZBQOSA-N 410.526 1.148 30 10 HDEE C#CCN(C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)C1CSC1 1310263029 NZYMVLVURNYTEK-UHFFFAOYSA-N 415.563 1.479 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc1 1310556410 HMOQGWOESMSTGZ-ZFWWWQNUSA-N 413.521 1.803 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CC1 1312542612 GVUQYWWNDRNTSI-CGZBRXJRSA-N 423.477 1.717 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCC(=O)N2CCCCC2)c1 1316529654 BJCZQBFNXPTSNT-UHFFFAOYSA-N 407.478 1.156 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1320078857 XTLQMBGHIXUVGR-QGZVFWFLSA-N 423.535 1.250 30 10 HDEE CC1(C)CS/C(=N/Cc2ccccc2)N1C(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1347705976 PJNDEIMMERPEEC-SHUBJWRZSA-N 414.491 1.910 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COCc2nc(CC)no2)c1 1355984200 NMVAFMCVBXZTEM-UHFFFAOYSA-N 412.446 1.022 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1358870029 CTUHXZGXNYSWMD-MRXNPFEDSA-N 411.510 1.494 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1358890872 WLCXVTUAKAXDNN-DOTOQJQBSA-N 404.540 1.623 30 10 HDEE C#CCCCn1c(N(C)CCN2CCOC(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1358935984 YYVROMPQAPGYDS-JOCHJYFZSA-N 419.570 1.891 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(SC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963539 JVWISHBEZZNQEP-OAHLLOKOSA-N 412.581 1.379 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1c(CC)nn(C)c1OC 1358979933 BQCMQGZBWBCOSP-UHFFFAOYSA-N 403.490 1.690 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1359006912 NPPGBBYVSVYDCP-UHFFFAOYSA-N 400.508 1.446 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359028585 XEMSMIXCMVJBHY-GOSISDBHSA-N 422.533 1.371 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2c(C)noc2C)CC1 1359037425 JCVMYNQEUFSTOJ-UHFFFAOYSA-N 405.506 1.867 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1359071227 IVKOJNATOULDLV-JOCHJYFZSA-N 411.481 1.859 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1359098869 HESSFKVVOYFXNT-KURKYZTESA-N 403.527 1.726 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359226241 ANGCTBABEQMXSD-AEFFLSMTSA-N 413.526 1.624 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCn2ccnc2C1 1359282691 MKAFLZIYBWNUMH-KRWDZBQOSA-N 413.526 1.498 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359299403 DJNHHOZZYZTVQI-IAGOWNOFSA-N 418.542 1.167 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)c1nccs1 1359303704 YDXKAMSXAFHGPQ-AWEZNQCLSA-N 417.539 1.399 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1360480636 DJYWJYXPPXECKK-WBVHZDCISA-N 409.494 1.790 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 1436030409 UUEFIABBTIACDZ-RTBURBONSA-N 415.465 1.724 30 10 HDEE CC(C)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 1436117497 AWQLRMQWNLRSTO-WAOWUJCRSA-N 420.517 1.999 30 10 HDEE O=C(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C#CCO)c1 1442500629 IMGIQHXDMGJANM-UHFFFAOYSA-N 412.511 1.861 30 10 HDEE COC[C@@H](C(N)=O)N(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1450295897 WGRJTHPHHMVBIK-IRXDYDNUSA-N 416.478 1.351 30 10 HDEE C#CC[C@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O)C(=O)OC 1451183872 XEIAJKABDVZTGI-SFHVURJKSA-N 420.421 1.792 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1CCc2cc(OC)c(OC)cc2C1 1452938693 ZWRUSTCZGAUBBU-UHFFFAOYSA-N 402.491 1.865 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)C1=O 1459574173 IMSUZMJLWXPIRU-SFHVURJKSA-N 421.457 1.075 30 10 HDEE N#Cc1ccc(-c2nnc(CN3CCN(C[C@H]4CCCS4(=O)=O)CC3)o2)cc1 1460635210 FDJHEKUZRYUFSF-QGZVFWFLSA-N 401.492 1.303 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C(C)(C)C1 1464923344 IDKUGVYPRQICSF-WKSPDDFDSA-N 406.483 1.522 30 10 HDEE COc1ccc(-c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n[nH]2)c(OC)c1 1464926661 QULJENPCZQWBJR-CZIZESTLSA-N 411.418 1.350 30 10 HDEE COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466901776 KWLJVISSEDPFFG-VVFNLNFGSA-N 421.494 1.298 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1467890497 VBQKQLNHBWKBHU-SFHVURJKSA-N 424.906 1.860 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)C2=O 1469871883 HOFFGTYMISLZIV-RKVPGOIHSA-N 412.490 1.797 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@H]3C[C@H]3CCOC3)C2=O)cc1 1470032519 IVWJQEFPABQSKW-AQNXPRMDSA-N 412.490 1.496 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 1471200067 LEYVAYSUSGULNK-UHFFFAOYSA-N 420.539 1.035 30 10 HDEE COc1c(F)cc(CC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(N)(=O)=O 1472595682 ZEIZCSREGCOHCE-INIZCTEOSA-N 421.450 1.088 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)[C@@H]1CCCO1 1475217795 ZQWQGSFNOYEVMA-HOTGVXAUSA-N 418.437 1.757 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2c(Br)ccc(OC)c2F)cn1 1475476758 DCYPMXFVACDEFL-UHFFFAOYSA-N 402.245 1.905 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CC1 1478230566 JWLGHKAIJYODSX-UHFFFAOYSA-N 405.520 1.282 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCO[C@](COC)(C(=O)OC(C)(C)C)C2)cc1 1478686201 SGNPBMSFSPZNOH-JOCHJYFZSA-N 418.490 1.967 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCc3ncc(Br)n3C2)CC1 1479585550 LUFQMRSMBPBMNK-ZDUSSCGKSA-N 408.300 1.131 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1=O 1503682377 SYNKUGFBDRAKJV-SFHVURJKSA-N 408.462 1.352 30 10 HDEE COCCCN(C)CCn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1504812172 ZQRSHYBVFMMJIP-UHFFFAOYSA-N 411.554 1.749 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCSC2)CCO1 1505322153 JRCMOFFUKVPFCE-GUYCJALGSA-N 406.899 1.590 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1507519315 ZEODTCSIUFWFPB-GJZGRUSLSA-N 412.519 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1507536080 AEMISZOTFWIFSI-RZQQEMMASA-N 408.568 1.969 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(CS(C)(=O)=O)CC1 1507543394 VXDUMJVPBHDIDB-OAHLLOKOSA-N 404.540 1.422 30 10 HDEE C#CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1507598143 BZKKLPYGYUMVEQ-UXHICEINSA-N 422.551 1.359 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1507601686 TYMMDGJQRDFZCT-CQSZACIVSA-N 400.508 1.796 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1507625094 GCMVWIJZZUXGER-KRWDZBQOSA-N 416.503 1.227 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCCC)[C@@H]1CCS(=O)(=O)C1 1507626863 QGQBGIZQXOSZNK-QGZVFWFLSA-N 403.508 1.445 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507638793 SUWGYYIAVSZCRS-JKSUJKDBSA-N 410.540 1.256 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1507731848 QRZOMYNCKJMDQI-OXQOHEQNSA-N 401.536 1.506 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCC(=O)NC)CC1 1507732729 KGGGQTBWVSLCJC-SJLPKXTDSA-N 402.543 1.088 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1507751955 QNAKIBQOZCQROQ-DOTOQJQBSA-N 405.568 1.889 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1507756837 ZENRHRGOFDAJFG-QGZVFWFLSA-N 403.552 1.425 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1508018085 LZPVBRDMSRSVQE-MRXNPFEDSA-N 422.489 1.786 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](COC)C1 1508091806 NWBWRZUYTDMOMS-CQSZACIVSA-N 418.523 1.045 30 10 HDEE C[C@@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1512253998 ODLKEMRTXQEIHU-MVZUJROASA-N 407.478 1.779 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1515098228 ADAVORPIBCWFJX-QGZVFWFLSA-N 410.478 1.732 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1516194793 HJPJOCADUHSGOA-UXPWSPDFSA-N 405.499 1.476 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1519260249 PWXMWVDTDDYNRJ-KGLIPLIRSA-N 402.455 1.182 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1=O 1524315583 YHSSYVAQISSOGC-SFHVURJKSA-N 405.520 1.404 30 10 HDEE Cn1c(=O)c2cc(C(=O)N[C@@H](c3cccc(C#N)c3)C(F)(F)F)cnc2n(C)c1=O 1536458842 UHSMHZMFZGYNDE-AWEZNQCLSA-N 417.347 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539015289 UCZKMPUYDDKDRC-GVDBMIGSSA-N 410.526 1.741 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539125483 MTRWRYPXNUBOGF-HLIPFELVSA-N 421.567 1.793 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCc2cnn(C)c2)CC1 1539460157 YLIRQHZXDRGGOJ-UHFFFAOYSA-N 421.553 1.261 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCCO2)CC1 1539462570 ISARYTOOEZRBEN-FHWLQOOXSA-N 403.527 1.326 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCOC2)CC1 1539481862 PBYMBGCTCAZXLA-IEBWSBKVSA-N 415.538 1.565 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1539674945 KIVKTPVJTCLVTP-LJQANCHMSA-N 421.476 1.832 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1539729091 FUBITZULQIZBAZ-LSDHHAIUSA-N 401.533 1.096 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2c(C)noc2C)CC1 1539828347 IJGNQRSHVSZFMH-AWEZNQCLSA-N 408.528 1.892 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCO[C@H](C)C1 1540072009 JAWFRGFKJIBNIK-PMPSAXMXSA-N 413.544 1.048 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(OC)CCOC1 1540187553 QQFQDJGMNVYKMG-DYESRHJHSA-N 415.494 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 1540471150 QHHALOUVUFEPHZ-GOSISDBHSA-N 414.506 1.767 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1540869430 MROMMTJBZMHFQT-MRXNPFEDSA-N 419.445 1.631 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1540924124 PAGBOJFDWXXJJR-FTRWYGJKSA-N 423.583 1.884 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541277212 BMRWSRPEYMGKIC-FUHWJXTLSA-N 415.542 1.121 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN(C)CCOC 1546577159 GUDWAODFEFCWIV-SFHVURJKSA-N 411.510 1.110 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547727318 CCHIVNPWEUVZPG-ICSRJNTNSA-N 424.553 1.342 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cc(C)on1 1555663096 JEPSOFKIWABVHF-CRAIPNDOSA-N 415.498 1.523 30 10 HDEE Cc1ccc(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1557567694 KWIKAEWHVFXWQO-LJQANCHMSA-N 414.355 1.965 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)n(C)ccn12 1558396798 QHDZZBWYSCALDJ-AWEZNQCLSA-N 418.498 1.336 30 10 HDEE CC(=O)c1cccc(C#N)c1OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1 1559456628 IECQHUAXKUWSHG-UHFFFAOYSA-N 400.479 1.199 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)COc2ccc(F)cc2)CC1 1559481130 FCFCYIFMVOGAKG-IBGZPJMESA-N 413.449 1.660 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1561798982 GBBGZVMPHMHUPT-CYBMUJFWSA-N 404.282 1.942 30 10 HDEE C#C[C@H](NC(=O)NCCN1CCCS1(=O)=O)c1ccc(Br)cc1 1564999133 GYDRXSCNFRXEDC-AWEZNQCLSA-N 400.298 1.458 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)n(C)c1 1585237839 WVFCFRINHBLIQF-UHFFFAOYSA-N 401.492 1.562 30 10 HDEE CCOC(=O)C1=CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1586293207 ITIFVPSZFYPQCV-DOTOQJQBSA-N 410.430 1.531 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1588034317 DAIDHMALQACQBC-QGZVFWFLSA-N 418.519 1.691 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045508 MBNWZUYRUIGWQI-SJLPKXTDSA-N 419.551 1.581 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H](C)N1CCOCC1 1588143780 HYQLSKUPWIACDZ-KRWDZBQOSA-N 413.472 1.941 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc2c[nH]nc2c1 1588174278 VZMZVBZBNAYKHA-UHFFFAOYSA-N 403.490 1.998 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(O)CCN(C(C)C)CC1 1588638595 UNAIPVNSCSIKGJ-IBGZPJMESA-N 419.570 1.841 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1588974831 CSNOIKRCPRHBAB-HNNXBMFYSA-N 420.583 1.620 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1588984488 HYANTGDVUKNEEF-QWHCGFSZSA-N 421.539 1.736 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1589197798 JFQOKRNYFCPNBD-LJQANCHMSA-N 400.508 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCS(=O)(=O)C1 1589580231 NHSYDJWWTQXTMW-FMKPAKJESA-N 406.512 1.639 30 10 HDEE C=CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1594659706 FPJBBXNNFBDEHB-HXUWFJFHSA-N 406.531 1.748 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1594807446 OYHLALKZRZKOCO-DLBZAZTESA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1C(C)(C)C 1595602267 IMOUTRQIAGTSBI-UHFFFAOYSA-N 402.478 1.134 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)CC(=O)OC 1596295772 IUQZJFRPTLQFFI-OAHLLOKOSA-N 423.535 1.989 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCCN1S(C)(=O)=O 1596842041 SIRSODKEHXBMDC-GDBMZVCRSA-N 422.580 1.950 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)s1 1606904969 BIOUUNGQXWPEHO-SJLPKXTDSA-N 420.556 1.817 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccccc3C#N)CC2)c1 1610945751 ZORKDSWGWBUFDS-UHFFFAOYSA-N 412.446 1.957 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc3[nH]ccc3c2Br)C1=O 1611502367 UZRCBYHIWVQJNW-UHFFFAOYSA-N 406.196 1.241 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1613547376 DCZWEBVKBLCSTQ-AEFFLSMTSA-N 418.542 1.988 30 10 HDEE COc1ccc(NC(=O)CSc2ccncc2C#N)cc1S(=O)(=O)N(C)C 1614654989 MIYQMGRMQYQTIE-UHFFFAOYSA-N 406.489 1.943 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCC2)C1 1620165059 GPQWFGDTNRPZOC-UHFFFAOYSA-N 401.492 1.621 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1622217586 CNCCOQAOLOYIJZ-HNNXBMFYSA-N 413.471 1.920 30 10 HDEE N#CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1624807646 CFJQXKOQTWNTCZ-UHFFFAOYSA-N 415.471 1.987 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)cc1 1626661043 PIWWULWJDBDGME-UHFFFAOYSA-N 417.487 1.945 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cc(C#N)ccc2F)CC3)CC1 1627177430 SVHLJFPJELTVRF-INIZCTEOSA-N 424.480 1.274 30 10 HDEE COc1ccc(C(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882303 DYOFHJGMALZDOW-HZPDHXFCSA-N 407.492 1.480 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 1632947858 PUQLSOMTHVXGBV-MOPGFXCFSA-N 400.523 1.675 30 10 HDEE C[C@]1(C#N)CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634987172 YUOKQODBWOCAKX-LAUBAEHRSA-N 402.470 1.788 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC(C)(C)C)nc1)c1cc[nH]n1 1637481788 UOVZWWYMLDFKIQ-UHFFFAOYSA-N 403.439 1.582 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1637667785 KMDWIPCIDIWFDQ-CABCVRRESA-N 406.508 1.435 30 10 HDEE COCc1cc(O)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1637780516 XWVUCCLRUZNURD-UHFFFAOYSA-N 403.460 1.996 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)CN1CCN(CC)C(=O)C1=O 1638808608 VQAQQOMUFHAPFM-UHFFFAOYSA-N 410.268 1.643 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)Cc3cccnc3)CC2=O)cc1Cl 1640158897 IFSRSNAKHHDRCO-DOTOQJQBSA-N 412.877 1.927 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1642889405 HCDNQEXNCXYBLP-NVXWUHKLSA-N 403.284 1.602 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)cc1 1644157417 WHWSYNTZSCEETE-HDICACEKSA-N 412.533 1.048 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1 1644285740 YWIITUUMHFOHNI-UHFFFAOYSA-N 406.895 1.561 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N=c3cc[nH]cc3)cc2)CC1 1644943465 ZXUDIHQCNDLQHC-UHFFFAOYSA-N 401.488 1.848 30 10 HDEE Cn1cc(NS(=O)(=O)c2ccsc2C(=O)NCc2cncc(C#N)c2)cn1 1645989443 AYTJLBZAGXZBFO-UHFFFAOYSA-N 402.461 1.479 30 10 HDEE Cn1ccnc1SCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1 1648155750 OLYIAOJSKPUGSJ-YVEFUNNKSA-N 406.489 1.316 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2ccc(C)c(S(=O)(=O)N(CC)CC)c2)CC1 1655172322 DGFIJSQATUWRKK-UHFFFAOYSA-N 407.536 1.424 30 10 HDEE COC(=O)[C@H]1CSCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1655605290 WHFAXMIGIVUURA-OAHLLOKOSA-N 400.422 1.764 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCNC(=O)c2ccc(Br)cc2)C1 1668239350 WXIPCGWHLCIYGI-QGZVFWFLSA-N 421.339 1.966 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12)C(=O)OC 1669658271 VRQMONOWNLXPEL-SECBINFHSA-N 420.672 1.593 30 10 HDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(C#N)cc1N(C)C 1672050575 DNSGBYJTYFXNKW-UHFFFAOYSA-N 417.495 1.194 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)CC1 1672533166 QHGMSLIJXRYXFE-INIZCTEOSA-N 407.515 1.695 30 10 HDEE N#CC[C@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1678736734 CEPPANLMWLJMPI-QZTJIDSGSA-N 413.526 1.617 30 10 HDEE C#CCN(C(=O)N[C@H]1CC2(CCOCC2)Oc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1684924193 PTGFJRULYMELLE-AEFFLSMTSA-N 418.515 1.891 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1689826160 IVXGKVLMVBQKHQ-ZDUSSCGKSA-N 412.885 1.496 30 10 HDEE C#CCCCn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1689941704 UKIOFLXOXUJUDD-JQVVWYNYSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1689992070 GQOJTYOMFMFIGX-SCTDSRPQSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)CN1CCOCC1 1690005271 YIMFHVNCTSOTSD-IBGZPJMESA-N 407.518 1.995 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C(C)C 1690013723 ZVXLCMCPGOYSDT-HSZRJFAPSA-N 418.501 1.672 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690244115 TXAPRFVKEQBZCS-IEZWGBDMSA-N 411.510 1.773 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Nc2cccnn2)CC1 1690668058 QXPDAXJLOKGZEG-UHFFFAOYSA-N 421.509 1.457 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(C)c2)C1 1690670043 XCWNDYZFUNXLOL-MSOLQXFVSA-N 408.506 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)[C@H]1CCOC1 1690725294 LOBGTCCHEPXBRA-INIZCTEOSA-N 408.499 1.834 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1690996067 UAHJYMUOPDTEKT-OXJNMPFZSA-N 406.531 1.829 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1692660659 DWUDPIQHNJJINZ-UONOGXRCSA-N 420.477 1.209 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696762878 DIOVBWXMQUEFLK-AWEZNQCLSA-N 422.411 1.968 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(C)(C)O)c2)cn1 1696854164 GTDXPWGHMXAFNT-SFHVURJKSA-N 407.478 1.683 30 10 HDEE COCCN(c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CC[C@@H](C)C1 1698035218 BUKDMVYKOVHJQH-DGKZKERLSA-N 402.499 1.754 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705526562 MMCCECHPYLFWHW-SFHVURJKSA-N 422.489 1.840 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705542770 NRSYMVYFUWILQH-OAHLLOKOSA-N 417.897 2.000 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1conc1COC 1705584653 SOERYRHSCSWXHU-UHFFFAOYSA-N 415.457 1.772 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1705609478 FXEMPVYXPKRNCR-GOSISDBHSA-N 406.490 1.771 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCN(CC)CC2)CC1 1705637537 BMXKGTCDEZIHKT-UHFFFAOYSA-N 424.597 1.446 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1705643000 PFTWEHHWNJFUTB-MRXNPFEDSA-N 406.531 1.483 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CCCO)CC1 1705664649 WWAYAVZVARKUCX-UHFFFAOYSA-N 405.568 1.756 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@H](C)[C@@H](C)C1 1705902876 LNSZXCSLJOKOQZ-IRXDYDNUSA-N 424.553 1.847 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@H](COC)C1 1705907190 DAECGNWDGWPUGM-SFHVURJKSA-N 415.542 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 1705922915 VNOPZYJGTOTATK-MOPGFXCFSA-N 416.570 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)Nc1c(C)cccc1C 1705930104 FMYJRCZDXBSGKP-UHFFFAOYSA-N 405.524 1.879 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1706073218 LQSVPOUOIWSNRO-JYCIKRDWSA-N 418.523 1.903 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CCO1 1712885132 ZVTKVCNXRZYNSO-ZWKOTPCHSA-N 415.542 1.614 30 10 HDEE C=CCCCN1CCN(C(=O)N2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1717723092 RHSMOVHYPOSLRX-RMMWZPCPSA-N 402.539 1.258 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722281380 YNHMEKZYHJKFNT-IUCAKERBSA-N 414.276 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccccc1 1722401178 OHUMUZGKTYORLK-QHCPKHFHSA-N 405.502 1.771 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)nn(C)c1C 1722452796 KWQUVVDQQMOTLL-UHFFFAOYSA-N 415.567 1.867 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1722536095 RBJARKWWAOPELG-UHFFFAOYSA-N 418.542 1.440 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@]2(CCOC2)C1 1722537415 AJNBJJKFTAYXKR-BBTUJRGHSA-N 422.526 1.591 30 10 HDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC(NC(=O)COC)CC1 1722579479 FJWXNVZJVJOIFF-UHFFFAOYSA-N 404.902 1.748 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1722697288 JJBLYVARJTVJSA-CQSZACIVSA-N 401.540 1.797 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCCN(c3cccnn3)C2)nnc1C(C)(C)C 1722703608 DCUXYFJYNAXLTD-INIZCTEOSA-N 412.542 1.773 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722720623 NCKIVUDDXYEACL-DLBZAZTESA-N 409.556 1.293 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722724245 RCJQXCBJJLIPSF-UHFFFAOYSA-N 416.569 1.125 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCOCC1 1722730125 JKKQSOZNHUCESQ-UHFFFAOYSA-N 415.519 1.788 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722871982 HZFQGNUKYAESJL-KFWWJZLASA-N 416.448 1.989 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1723192072 GXPZGLXOHBHNOF-ZIAGYGMSSA-N 402.421 1.393 30 10 HDEE CC(C)Oc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1723695708 GXASREKKSILWGT-SFHVURJKSA-N 424.505 1.965 30 10 HDEE Cc1coc(C)c1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1725008360 LECAXDNLULWTSU-YVEFUNNKSA-N 410.475 1.588 30 10 HDEE CC[C@@H](C)c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727047801 OYAYFLYOFQWBOB-UBENKILGSA-N 402.499 1.932 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1727866215 YBPXTWAFBHXFEB-KJPDOMRESA-N 422.555 1.707 30 10 HDEE CCOCc1nnc(N(C)[C@@H]2CCSC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728975084 BEIDELDZGQOFMN-PHODEOQFSA-N 406.512 1.283 30 10 HDEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1729343226 BGPDDZJKHYJIGJ-FBMGVBCBSA-N 413.482 1.029 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1729761871 BLFXZJNJHTYLAO-KRWDZBQOSA-N 408.462 1.342 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1730731192 FATBJVPIALROJK-QFIPXVFZSA-N 423.521 1.254 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740575047 PMDLSAVUJYJZQB-SJORKVTESA-N 419.551 1.185 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1740609219 XKRNHTYJQYPKNA-JKSUJKDBSA-N 416.526 1.946 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1CCN1CCCS1(=O)=O 1740633509 KDCPPVYLKJLRJG-UHFFFAOYSA-N 423.498 1.800 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740668080 BUEYQBQVOWHQNT-LSDHHAIUSA-N 404.515 1.944 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1ccncc1 1740684190 KXQZOLPJQRRAGP-UHFFFAOYSA-N 408.462 1.730 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1740956237 MYHDFNRVDQMPKT-INIZCTEOSA-N 422.493 1.793 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C(=O)NCC)C1 1740981764 XBPHLQIEYDTZCX-GJZGRUSLSA-N 404.515 1.173 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CCO1 1741104228 GNBDMHUBAJEPHH-CDHQVMDDSA-N 424.505 1.583 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)CCOC1 1741724994 VJTPNDBYPFRFRU-RTBURBONSA-N 411.478 1.160 30 10 HDEE CCC[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1745292013 XFFYWKWSKBHONQ-MBOZVWFJSA-N 407.515 1.863 30 10 HDEE CCCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1745541547 WPMWIPSCDPCVGS-HNNXBMFYSA-N 416.482 1.941 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCOC1 1746663128 YQLLKBAQGVFCNV-QRWLVFNGSA-N 401.467 1.916 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1747730278 HXAOPPBIPVHPEA-ROUUACIJSA-N 410.478 1.543 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)C(=O)NC 1748766236 KNJSHVUFROBGBH-UHFFFAOYSA-N 416.913 1.703 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1748814362 DSQWLJIPYKKYNI-LPHOPBHVSA-N 420.560 1.751 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1748888585 YVZRQDUXDDDPCA-JXFKEZNVSA-N 400.552 1.129 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1748901224 TVMFFFYTXWPXTP-OAQYLSRUSA-N 424.530 1.211 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nccn1C(F)F 1748968878 NKBRZHIMQDWZDR-UHFFFAOYSA-N 407.425 1.126 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1748989292 KKXSSMQIAKCNIX-PKOBYXMFSA-N 414.579 1.902 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCOCC1 1749942471 OPVJBZFPFACTMQ-DLBZAZTESA-N 406.531 1.463 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1751984277 YLRYFYRLAVBMJV-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1nnnn1CC1CC1 1760124919 VRRNNEAODHRXTG-OAHLLOKOSA-N 422.493 1.768 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)C1CC1 1760196270 HAHBVBVRWGWRPQ-UHFFFAOYSA-N 407.474 1.561 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1760249154 INKUOBKUIVGJQG-HNNXBMFYSA-N 424.473 1.593 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1760290972 WDIUOUPKKHZMSC-VSKRKVRLSA-N 415.538 1.789 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC 1760312742 CYUOTBNSCLUOQS-WBVHZDCISA-N 400.483 1.989 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1 1760312920 GNNLRAPVYAPCJN-IAGOWNOFSA-N 416.526 1.197 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760438869 PNCVIMNFWHYLGR-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1760535203 MWXCLOCTHOUWKZ-DLBZAZTESA-N 405.543 1.852 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568656 OUEFXGYZDDLVFC-OXQOHEQNSA-N 423.583 1.905 30 10 HDEE CC(=O)N1CCN(CCn2c(Nc3ccn(C)n3)nnc2-c2ccc(C#N)cc2)CC1 1760624896 DEMDONKBPMNBEF-UHFFFAOYSA-N 419.493 1.458 30 10 HDEE CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)[C@H](C)C1=O 1761124618 RTUBNEHULWTMHE-CVEARBPZSA-N 412.494 1.988 30 10 HDEE C[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1761401758 RFUCNZLWTNMVLX-QGZVFWFLSA-N 417.521 1.883 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)CC1 1765561744 CXTSGIIIDYWLDW-RTBURBONSA-N 403.575 1.796 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC[C@H]1C 1767863332 GFHWTIHTYPTTSB-OAHLLOKOSA-N 411.510 1.834 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCCO)c(OC)c1 1768495685 MUXULOLWVDDISX-HXUWFJFHSA-N 419.457 1.803 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1769322351 GCVRCHSAKJUTFE-KBPBESRZSA-N 418.523 1.211 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1770317070 MEMYXAUNXYGHGO-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOCC2CCOCC2)CCO1 1770746583 BTTOURNUZGNNRE-RBUKOAKNSA-N 419.526 1.734 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1771351834 KBLZBUCUWGRTDR-IBGZPJMESA-N 420.514 1.921 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(CCc2ccccc2)nnc1N1CCOCC1 1771564802 VNSVZGDGYVPMSC-QZQOTICOSA-N 422.489 1.426 30 10 HDEE O=C(CCNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC#CCN1CCCC1 1850070538 AXKHYWBYBGBZDB-UHFFFAOYSA-N 401.891 1.363 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1850473285 RZQCNSGUKWAVRT-KRWDZBQOSA-N 407.536 1.426 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)[C@@H]1CCCO1 1851304501 FHOLLPFBHPLLOK-KRWDZBQOSA-N 403.446 1.664 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)OCCN2CCN(S(C)(=O)=O)CC2)n1 1851545682 DZEHAFBAJWCGGY-UHFFFAOYSA-N 420.413 1.015 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)N3C[C@H](C#N)CC3=O)CC2=O)CC1 1853116300 CCRNZPZQNFTUGL-KBPBESRZSA-N 404.467 1.133 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)CC1 1853596739 GCCYMMDFVKARKC-GOSISDBHSA-N 413.522 1.567 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2sc(C)nc2C)C1=O 1854263665 XIBZWWSVLRZUHP-IRXDYDNUSA-N 418.563 1.929 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@H]1C 1854310406 AJICIWDOZOWQAV-QZTJIDSGSA-N 419.547 1.723 30 10 HDEE Cc1cc(C)n(CC(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)n1 1854446431 XTGGEZZXERUFLD-UHFFFAOYSA-N 409.490 1.900 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854524959 XLROUBGVXXUQIW-MRXNPFEDSA-N 405.476 1.265 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1854789250 NWWMUCYBXFVMCK-NSHDSACASA-N 403.382 1.513 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)C1 1855385760 YANXRPUYVNCORM-UHFFFAOYSA-N 405.520 1.578 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1 1855476227 VPOXFZCBRRCJRE-CVEARBPZSA-N 422.526 1.969 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1=O 1855552881 MUXAPEDQOXYDBY-CYBMUJFWSA-N 411.430 1.654 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCCC[C@@H](N2CCC(C#N)CC2)C1=O 1855597911 MHGFYAWKUCWDAI-GOSISDBHSA-N 407.478 1.634 30 10 HDEE CC(=O)N1CCC[C@@H]1CN1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc21 1855758333 ZSCLRFFSRXASJM-GOSISDBHSA-N 403.442 1.958 30 10 HDEE C[C@@H](C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21)[C@H]1CCOC1 1855975567 IUYMHPBLXZFODI-KGLIPLIRSA-N 405.476 1.309 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(OC(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1856152266 BCBUHTDIBVQPDX-UHFFFAOYSA-N 419.381 1.502 30 10 HDEE C[C@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCCC#N 1856281114 CALBCWAIYYTOFJ-MAUKXSAKSA-N 418.519 1.873 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)c4ccncn4)C3)CC2)cc1 1856632683 YGYWRHOBQGZLFQ-QGZVFWFLSA-N 405.458 1.880 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cnn(CC)c3C(F)(F)F)C(=O)C2)C1 1856843245 BWJBETUMSJCBGY-CQSZACIVSA-N 413.444 1.857 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3cc(C4CC4)on3)C2=O)CC1 1857071417 LTQIGDVQUQTDMK-QGZVFWFLSA-N 406.446 1.382 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@@H]4CCC[C@@H]43)ccc21 1857461307 PRYGGCRQWJINBQ-DLBZAZTESA-N 403.460 1.348 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1 1870143391 KCYIBNZZWNZCBA-UHFFFAOYSA-N 412.431 1.771 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc(NC(C)=O)c3)CC2)CC1=O 1872918354 ZMFXFDYCHWJKTG-QGZVFWFLSA-N 412.490 1.857 30 10 HDEE CC(=O)NCCN1CC(=O)C(c2nc(-c3ccc(NC(C)=O)cc3)c(C)s2)=C1N 1873528224 MCALUASCYRDAFP-UHFFFAOYSA-N 413.503 1.725 30 10 HDEE C=CCn1c(C(=O)N(CC)CCO)cc2c(NCCCN3CCCC3=O)ncnc21 1875226612 NEJTVMAAPAXTJI-UHFFFAOYSA-N 414.510 1.496 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCCC(C)C)ncnc21 1875227500 BYGGHHIBWZBCAX-UHFFFAOYSA-N 400.527 1.825 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c(F)c1 1882496861 BNPLZMZJFWHTCF-QGZVFWFLSA-N 420.418 1.992 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889605913 WNOYMADJBCETNZ-UHFFFAOYSA-N 421.563 1.116 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1Cl)C1(O)CN(C(=O)OC(C)(C)C)C1 1918784363 GTEPABOLDXGUGI-LLVKDONJSA-N 415.899 1.860 30 10 HDEE COCCN(CCC#N)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024001 WYVGSRWBNVASLJ-SFHVURJKSA-N 411.455 1.203 30 10 HDEE Cc1cc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)sc1C#CCO 2082338461 IXQPBFRVTXDIQC-UHFFFAOYSA-N 418.496 1.116 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)N1CCC[C@@H](C#N)C1 2174781734 IOXHERPFUOXCPV-STQMWFEESA-N 408.471 1.701 30 10 HDEE N#Cc1ccc(S(=O)(=O)N=c2[nH]ccnc2I)cc1Cl 2178136725 BYICAGFZDQPMAJ-UHFFFAOYSA-N 420.619 1.829 30 10 HDEE Nc1cc(Br)c(S(=O)(=O)NCC#CCCO)c(Br)c1 2225754220 GSQGHZPQMPBPHG-UHFFFAOYSA-N 412.103 1.458 30 10 HDEE CC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243384326 NSYIPOMNRULGIA-UHFFFAOYSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCB1OC(C)(C)C(C)(C)O1 2243556130 MLQVLRIGPBCXOI-UHFFFAOYSA-N 416.324 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247827274 GSGGRJFUEBKFCN-ZDUSSCGKSA-N 418.303 1.614 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2248572794 VRMXPYWVVGQTJV-CABCVRRESA-N 423.294 1.912 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2255606783 XRFGGWNQRCTCAN-QZTJIDSGSA-N 422.338 1.913 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)n1 2255838206 BYBTYVCABQFHEH-UHFFFAOYSA-N 423.326 1.072 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)[C@@H](O)C(F)(F)F 2265291962 CURSQJWQVUCFQU-BIIVOSGPSA-N 404.407 1.081 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](CO)C1 2282325669 ICIFWHBOSZIDRG-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE C[C@@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282416238 SNCBAYCHAGDGGK-NHYWBVRUSA-N 400.737 1.668 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282490304 HAKHUYYUVWWOGJ-LLVKDONJSA-N 402.347 1.429 30 10 HDEE CCC[C@](C)(CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282491884 MNLQOQCJOZWUGU-MRXNPFEDSA-N 404.363 1.413 30 10 HDEE CC(C)OC(=O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499358 OKAURWPPOOOQEY-UHFFFAOYSA-N 403.331 1.418 30 10 HDEE CC(C)(O)[C@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502180 HMAWZAPTOPXDPW-CQSZACIVSA-N 401.359 1.971 30 10 HDEE CCO[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282512654 UXOJFWPVVJTMDT-CQSZACIVSA-N 401.359 1.988 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CCCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1 2282582852 ZWGTXTYIPONHII-CQSZACIVSA-N 405.304 1.525 30 10 HDEE CCOC(=O)[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282840366 GHZQEMFMMRPQEG-LLVKDONJSA-N 403.331 1.586 30 10 HDEE CON(C)C1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282840837 JRWGUPMTAWVBMX-UHFFFAOYSA-N 402.347 1.055 30 10 HDEE CON(C1CCOCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282861339 MRJQTFLZOIKLKA-UHFFFAOYSA-N 403.331 1.778 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCCO1 2282867051 SNXPUFMDXQMFIO-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871547 IXQAFJSUMBQYQP-OLZOCXBDSA-N 400.375 1.822 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C(=O)O 2284395634 NPYHNXFOIMUKRN-MFKMUULPSA-N 401.315 1.531 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CCF)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406026 SQSZYFRTDBMVJC-JTQLQIEISA-N 407.294 1.447 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2302853181 VMDQRVVRYYBFLT-CQSZACIVSA-N 411.267 1.891 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H](CCO)COCc2ccccc2)OC1(C)C 2303605590 WMUHPAVPEMTBAL-INIZCTEOSA-N 415.299 1.407 30 10 HDEE CCOc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1Br 2318413531 KLGLDIFXWWFNIZ-UHFFFAOYSA-N 415.357 1.978 30 10 HDEE Cc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329013075 QOUBINQHKOAQRX-OAHLLOKOSA-N 400.508 1.770 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)C2CC(=O)C2)OC1(C)C 2343825280 QFMDZAXBNAPPOH-UHFFFAOYSA-N 405.734 1.852 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365254873 SADPYOJLRSYFJD-ZIAGYGMSSA-N 403.497 1.682 30 10 HDEE CCN[C@H](C#Cc1ccnn1C)[C@@H](O)c1ncc(I)s1 2367753936 MHIWBGHTAYNEIN-ZYHUDNBSSA-N 402.261 1.544 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C 2367793889 XOCBRFFZHFQRLY-STQMWFEESA-N 414.553 1.143 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367815182 GFELNEMVBRCDPL-KHYOSLBOSA-N 400.541 1.340 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2367820516 VTWOYPBHLCJTHX-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 9362669 ZHDRNWPGVMZMIO-HXUWFJFHSA-N 421.519 1.685 30 10 HDEE C[C@H](OC(=O)CCN1C(=O)NC(C)(C)C1=O)C(=O)Nc1sc2c(c1C#N)CCC2 26505313 GUTCOYQTZNHLJL-JTQLQIEISA-N 418.475 1.699 30 10 HDEE C=CCOc1ccc(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1 45186204 VMBJEBWGIAYLRX-UHFFFAOYSA-N 416.478 1.633 30 10 HDEE C/C=C/C[C@@H](C)[C@@H](O)[C@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96029767 ZRRIKPHYSLCQEM-KNZLZVDBSA-N 411.587 1.750 30 10 HDEE in-vitro N#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN(c2cc(-n3cncn3)ncn2)C1 96394339 PPJZLPNUOBNOAG-CYBMUJFWSA-N 419.405 1.692 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 96993202 MJJBNYXUBLTZPC-UHFFFAOYSA-N 406.490 1.551 30 10 HDEE CSc1ccc(NC(=O)Cn2cc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cn2)cc1 409673256 YGXRJYABEXUBAU-GFCCVEGCSA-N 410.463 1.907 30 10 HDEE Cn1ccnc(N2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)c1=O 428621671 RAKKXELEVPJISM-UHFFFAOYSA-N 417.473 1.520 30 10 HDEE CCc1nc(C(C)(C)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)no1 441257818 BOMWACMPGRXZSL-AWEZNQCLSA-N 402.524 1.927 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)cc1 444073173 PNQTUTDUFOJIMR-UHFFFAOYSA-N 421.500 1.356 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 460548448 GUPZAISMXDTBDG-LJQANCHMSA-N 423.521 1.912 30 10 HDEE CS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(c2ncccc2C#N)CC1 464814144 KZJRIOFRORTACZ-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)Cc1nnnn1C 466861673 PGPCPRSQCPQZCT-UHFFFAOYSA-N 409.244 1.280 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)[C@H]2CCCOC2)n(C)c1=O 478849176 QOEFNZQZPUGJLU-AWEZNQCLSA-N 413.455 1.162 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482174621 YJKJHEKOACNCLB-WMLDXEAASA-N 406.508 1.084 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1COc2ccccc2O1 484638862 LLDVFCLLZLOILF-GOEBONIOSA-N 415.471 1.571 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(OC)cc(OC)cc1OC 490633024 SZAMDNWFKADWQR-GFCCVEGCSA-N 405.494 1.076 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccc(CNC(N)=O)cc2)cc1 503690985 UJSZXZSFCYAFOY-QGZVFWFLSA-N 409.471 1.880 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccc(Cl)cc3)n2C)CC1 508418683 ZERIBJQXYMOLCV-UHFFFAOYSA-N 404.902 1.472 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508707524 WDKUASHZFIQABJ-SFHVURJKSA-N 413.526 1.401 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(CC1)NC(=O)N(C)C2=O 534117672 HIJNVOQUYNYJNQ-NSHDSACASA-N 401.492 1.452 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(Cc3nccn3C(F)F)CC2)c1 534745113 HFLRGZNCUVNGDT-UHFFFAOYSA-N 413.425 1.937 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)ccc1Cl 539385488 RXIZEXFHYWTMJN-WFASDCNBSA-N 404.897 1.226 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1-c1ccc(F)cc1 539770366 QSUWJVNWLZQOPU-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE Cc1nn(-c2ccncc2)cc1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 544351056 IZMZBAXETQRSPJ-UHFFFAOYSA-N 422.514 1.954 30 10 HDEE N#CCCn1cc(C(=O)N2CCN3CCOC[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1 544589085 NKFKIGYJBWYFRA-QGZVFWFLSA-N 410.434 1.529 30 10 HDEE CCNC(=O)COc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544856479 HFLUUQXYGWVOIL-UHFFFAOYSA-N 422.489 1.500 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(CC(=O)OC)CCOCC3)cc2C1=O 556462006 YUCIAIXQKZYTEQ-UHFFFAOYSA-N 400.431 1.558 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 562028951 AWBJPBJNBZMQNN-QGZVFWFLSA-N 403.508 1.360 30 10 HDEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 571959287 AWVPGLQXZBTNPY-KRWDZBQOSA-N 402.520 1.051 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)cc1 581519241 QGFFSZXESYJKFV-SFHVURJKSA-N 412.471 1.148 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)c(F)c1 586864764 BQQJVNYAXUDEGN-KRWDZBQOSA-N 412.396 1.764 30 10 HDEE C=CCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CC1 592070424 XNXCAIHPEZRLPZ-UHFFFAOYSA-N 409.556 1.194 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 603557656 MKLKMZUSRPYNKA-QRVBRYPASA-N 412.534 1.974 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(C#N)cc2F)c1 609805403 BIBPBVZIOMLARG-UHFFFAOYSA-N 420.466 1.621 30 10 HDEE C=CCOCCNC(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 679505237 UYYIEAZGMIVVTM-UHFFFAOYSA-N 418.519 1.843 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 726585304 PCGJZVUWYXJGBU-UHFFFAOYSA-N 409.490 1.614 30 10 HDEE C#CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 729331189 KKGKJLWDCKPHHG-CZUORRHYSA-N 412.508 1.535 30 10 HDEE N#Cc1cnn(CCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)c1N 729809540 YJOYZGNMFBAWEU-CYBMUJFWSA-N 409.493 1.185 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(F)cc1F 730220063 KQSCFJKSELYRDT-UHFFFAOYSA-N 409.414 1.589 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1C1CC1 732652246 SJYMTTWUGNQBKD-PKOBYXMFSA-N 402.520 1.429 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCN(C4CC4)[C@@H](C#N)C3)nc12 732672876 OUHAOTGGSNGNGO-INIZCTEOSA-N 421.530 1.996 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)nc2)cc1 734600808 HMSZTYRHBIMEQU-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=C(N)c2ccc(Br)o2)C1 749791116 NEXBEQDGMRNNGA-LBPRGKRZSA-N 417.304 1.152 30 10 HDEE Cc1nccc(N2CCN(CC(=O)[C@H](C#N)c3nc(O)c4ccccc4n3)CC2)n1 759892344 XXMWUBHWORDSQK-INIZCTEOSA-N 403.446 1.432 30 10 HDEE Cc1cccc(Cn2[nH]ccc2=NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1 760910321 FUTITDIMUALTBT-UHFFFAOYSA-N 415.501 1.689 30 10 HDEE COc1cc(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1C 765254338 WURIOZAPMUHMON-QNGOZBTKSA-N 406.468 1.886 30 10 HDEE CCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1C 769722812 GIJCVSHHDAGEDP-UHFFFAOYSA-N 403.460 1.701 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCCSC)c2=O)c(C)n1 781658680 SWQLNNMRMRQWCU-UHFFFAOYSA-N 400.529 1.710 30 10 HDEE COC(=O)c1cc(Br)ccc1NC(=O)C(=O)NCc1ccc(C#N)cn1 782129322 FTZLJKSGLZAVSB-UHFFFAOYSA-N 417.219 1.757 30 10 HDEE COCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[C@H]1CCOC1 785699368 SYWYDSGWBYSYCM-QMWCZEAPSA-N 424.523 1.769 30 10 HDEE C#CCN(C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 786119417 BHRSNVJQGRTJEK-QGZVFWFLSA-N 419.503 1.122 30 10 HDEE CN1C[C@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c2ccccc2C1=O 786514623 YOGJOCNSRFNDCG-ROUUACIJSA-N 406.398 1.789 30 10 HDEE CCCC(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)C1 787050751 FCNSLUMITHSODM-RDJZCZTQSA-N 400.435 1.959 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)n1 788817791 AKFHSCCEFQJDDG-UHFFFAOYSA-N 422.407 1.940 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1Cc1ccccc1OC)c1cc[nH]n1 789964342 YERQQIFQXYPVMG-INIZCTEOSA-N 414.462 1.936 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(N3CCNC3=O)ccc2Cl)n1 790107462 DDSQZUQLLJZWAR-UHFFFAOYSA-N 415.881 1.988 30 10 HDEE C=CC[C@]1(C(=O)OCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 791720360 PKMFEPGSDKQXNE-GOSISDBHSA-N 402.513 1.911 30 10 HDEE C[C@@H](C(=O)OCC(=O)N[C@H](C)c1ccc(Br)cc1)n1cnc(C#N)n1 798739958 GKFXWFKTSIWKNG-MNOVXSKESA-N 406.240 1.894 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)C(=O)NCCF)C1=O 799861854 LWFQNNVQBKMAPZ-SMDDNHRTSA-N 405.455 1.100 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCc2cnn(C)n2)cc1 806222327 JAYLTTBBJDCOKE-QJOMJCCJSA-N 419.511 1.730 30 10 HDEE Cc1ccccc1[C@@H](O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 806782118 VDKYMMPUFLHIJC-NHFXJNLRSA-N 412.490 1.976 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(C(=O)N2CCN(C(=O)CC#N)CC2)c1 807923194 NVINOOPTGJUZCG-UHFFFAOYSA-N 414.281 1.051 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ncc(Br)cn2)cc1 814349267 DHLAKKHAYQEGQQ-LLVKDONJSA-N 423.292 1.642 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1c(F)cc(C(=O)NC2CC2)cc1F 814871940 PNEAGSARSBEYMU-UHFFFAOYSA-N 412.422 1.154 30 10 HDEE N#CC1(CC(=O)OCC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CC1 815414773 PUVHTKQIYIJFNH-ZSOIEALJSA-N 414.443 1.471 30 10 HDEE N#Cc1ccccc1NC(=S)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 916000428 CZRDUMJIKHTRPG-UHFFFAOYSA-N 401.517 1.725 30 10 HDEE Cc1cc(C#N)cc(N(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)C2CC2)n1 1130965118 QBQMPLYPIFHFOX-UHFFFAOYSA-N 404.430 1.325 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1131717784 JAWNATNBCSKVNU-CQSZACIVSA-N 419.503 1.739 30 10 HDEE C[C@H](CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1)NC(N)=O 1136704204 OPKZUMGCJAGXPC-IUODEOHRSA-N 408.300 1.605 30 10 HDEE Cn1c(S)nnc1[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1136710722 VODLDMBIQOCPMU-NSHDSACASA-N 423.495 1.560 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(CC(=O)Nc2nncs2)CC1 1136799639 XENUJNPPPONMLL-UHFFFAOYSA-N 406.418 1.284 30 10 HDEE N#Cc1ccc(O)c(NC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 1137933993 CTDOYHFGHSGCNN-UHFFFAOYSA-N 421.500 1.971 30 10 HDEE C=CC[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OCC 1138146890 COIUFLZQNKLFHX-LLGFUMIMSA-N 404.463 1.773 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnc(Br)cn1 1140613716 RTLNAOKYGMLTKO-SNVBAGLBSA-N 424.280 1.094 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1141398668 IDGSANAJFLHWDQ-NVXWUHKLSA-N 419.503 1.696 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3cccc(C(F)(F)F)c3)c2S1(=O)=O 1144437943 OBTQFPQQEAKTHH-ZDUSSCGKSA-N 413.381 1.531 30 10 HDEE C#CC1(O)CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1148405645 CFKIUOIJPWFQJF-UHFFFAOYSA-N 405.248 1.422 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCOC[C@@H]3OCCOC)n[nH]2)c1C 1154565778 JNKYAQQRHWYPTC-QAPCUYQASA-N 403.483 1.626 30 10 HDEE COC(=O)[C@@H]1CC[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1155816372 VDOVIVKUYKPGBC-CABCVRRESA-N 421.519 1.743 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c1 1156052934 IPZBOHVFBPBOTG-UHFFFAOYSA-N 400.460 1.433 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1161336483 MRDWKZOSYKQJQM-JTQLQIEISA-N 409.244 1.144 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCN(S(=O)(=O)C3CC3)CC2)cc1C 1174641193 FGVHWXAYXYTMNT-UHFFFAOYSA-N 404.536 1.660 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1177699119 PZVNCVYOUMFULV-UHFFFAOYSA-N 411.203 1.030 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2ncc(C(=O)OC)s2)c1 1195575803 WPZYRTJPVAVLGA-UHFFFAOYSA-N 409.489 1.367 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN2C(=O)NC(=O)[C@H]2C1 1219084398 KXDPLFNXZMNOPP-GFCCVEGCSA-N 409.240 1.782 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)[C@@H]1CCCO1 1219299480 MAGFVAAFKIBFLT-BBRMVZONSA-N 410.396 1.944 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@@H](C)O1 1233854128 UYBKCZAXXAYENK-UHDSXZAQSA-N 409.531 1.542 30 10 HDEE N#Cc1csc(CNC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 1255899030 ZSPZCVRSKDFXCB-UHFFFAOYSA-N 405.505 1.621 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CS(=O)(=O)Cc2ccccc21 1280311139 RVFBWTIBYDAQOI-LJQANCHMSA-N 423.498 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1286290687 AOOBDEGMYILPOK-ZBFHGGJFSA-N 422.511 1.085 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286292758 JFVKLRAMLYNEKE-UONOGXRCSA-N 404.515 1.990 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389051 XXSNDVBKNOAIHS-GHTZIAJQSA-N 416.547 1.979 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCn1cncn1 1286427324 CRMLNFGIOZYWJT-IBGZPJMESA-N 403.446 1.545 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1286437111 IAFAJVOSELOCJH-QMMLZNLJSA-N 404.511 1.728 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CC[C@@H](O)C2)CC1 1286479808 XTKPRUJQNNIPOD-OAQYLSRUSA-N 408.550 1.211 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1286495420 VFWSTVGZPDTKIP-IRXDYDNUSA-N 403.552 1.886 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@@]1(OCC)CCOC1 1286598819 DZDZIWDXCDDWCR-HNAYVOBHSA-N 404.471 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286819798 WHZVPDDXVDNINF-INIZCTEOSA-N 421.567 1.641 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1CCOCC1 1287216421 DTMGPDUOGGHFBE-UHFFFAOYSA-N 424.553 1.717 30 10 HDEE N#Cc1ccc(NCC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc1 1293734466 AHABVNRTSPOUBE-UHFFFAOYSA-N 413.503 1.476 30 10 HDEE C=CCNC(=O)CNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1295643638 JCONPQBWVLKKMK-OAQYLSRUSA-N 403.479 1.780 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H](CO)NC(=O)OC(C)(C)C)C1=O 1297274343 UZDNDEQXLYXRSA-BFUOFWGJSA-N 414.503 1.574 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCCO[C@H]3CCCCO3)C2=O)cc1 1297421801 UBXSASJZSUDECW-MJGOQNOKSA-N 414.462 1.813 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1300692717 MAVQDSFWCLVXDY-JOCHJYFZSA-N 406.490 1.377 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)CN2CCCC2)CC1 1300706882 UBPOAXUMVAEEMM-IBGZPJMESA-N 424.597 1.627 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCSC)CC1 1300724710 CGLWATHZSYOSAJ-QGZVFWFLSA-N 405.568 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1cscn1 1301586174 DYVLUNXJQXNISW-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)C1 1301686113 DKVCKHKTMOJODC-NVXWUHKLSA-N 401.515 1.397 30 10 HDEE CC(C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1302606418 HTEUMXVZKACQGX-HFUDNHEJSA-N 402.499 1.932 30 10 HDEE CC(=O)NCC(=O)N1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1307987019 AUDKPAISUGXCHD-SFHVURJKSA-N 413.522 1.301 30 10 HDEE C#CC[C@@H](COC)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1313096410 ARSFKCRUSFTJCH-LSDHHAIUSA-N 403.483 1.611 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1313191620 XJJLKIXACGTLMT-HMFYCAOWSA-N 423.561 1.857 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1315817978 YBXMGTVNVWYEMT-ROUUACIJSA-N 400.458 1.906 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316256077 ANPXJOXVYFDENB-HZPDHXFCSA-N 401.467 1.784 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)C1 1320152124 AYUMEBJXWNESHV-HNNXBMFYSA-N 401.463 1.997 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1358885880 SSNZNHDVIPKMHY-CVEARBPZSA-N 424.505 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1358889387 BDFMXGQIABHHBG-ZFWWWQNUSA-N 402.476 1.415 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1358889572 DJGUEMVNLOPMPU-UKRRQHHQSA-N 419.507 1.099 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1358970963 BYIRWRIAENOCIQ-SFHVURJKSA-N 415.295 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)CCNS(C)(=O)=O 1359097912 VKMYZJJJUCQVIR-SJORKVTESA-N 420.539 1.307 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1359292871 ZTLMMSBTVYYFGX-AWEZNQCLSA-N 416.457 1.138 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1359302503 JLZCGOBPYWTVHJ-NVXWUHKLSA-N 416.551 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CC(=C)C 1359333138 OTXDMLJWUKRFGS-OAHLLOKOSA-N 416.569 1.183 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)[C@@H]1CCS(=O)(=O)C1 1360054859 MFDLHUBJEIEXEV-OAHLLOKOSA-N 417.487 1.367 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1452926368 AKUYMRSIBNIZHO-OAHLLOKOSA-N 408.495 1.677 30 10 HDEE C=C(C)Cn1c(SCC(=O)NN2C(=O)[C@@H](C)N(C)C2=O)nnc1-c1ccco1 1453746454 FEOFLLMHVHQTCO-LLVKDONJSA-N 404.452 1.520 30 10 HDEE N#CC1(C[C@H](O)CN2CCC(C(=O)NCCCN3CCCCC3)CC2)CCOCC1 1459803022 NZWBZDVEMVSKQY-NRFANRHFSA-N 420.598 1.762 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462354134 DZJMOAONWOESLX-AZUAARDMSA-N 413.437 1.919 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(Cc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1462987423 GVLZPJQEYCXERI-UGSOOPFHSA-N 405.476 1.883 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1463689211 BJTHKNOVVUAILS-CHWSQXEVSA-N 419.322 1.661 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)[C@@H]2CN(C)CCN2C)cc1B1OC(C)(C)C(C)(C)O1 1465292949 DUJHWXGPDSFDBD-APWZRJJASA-N 401.360 1.658 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)NC)ccc2Br)nn1 1469215602 GKWQVQBGKWHWGX-UHFFFAOYSA-N 414.285 1.065 30 10 HDEE COC(=O)[C@H](CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCOC1 1472399457 ILVPLOSMJLISCS-DLBZAZTESA-N 408.495 1.579 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1479560303 UEDPKJVVEAUUPH-UHFFFAOYSA-N 407.559 1.576 30 10 HDEE CCCN(CC)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1500775451 FDZRFCIFRHQOHP-MRXNPFEDSA-N 412.498 1.386 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1503213842 NEODYVHUWCWZCN-GOSISDBHSA-N 412.494 1.870 30 10 HDEE CN1C[C@@](C)(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1503674938 NJBKLZLAKMUYSE-GCJKJVERSA-N 408.506 1.660 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1=O 1503675613 RYVLHDMKRMNXPB-XOBRGWDASA-N 414.441 1.203 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1)OC 1504578580 DEFMHMCBMHBWHB-QZTJIDSGSA-N 401.467 1.330 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1)OC 1504592751 AXLXUOPQXYMNBO-MSOLQXFVSA-N 401.467 1.615 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1504711198 DXRKFKVHEDSRLH-WIYYLYMNSA-N 413.478 1.474 30 10 HDEE CS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1505135016 HHSXTQXZEVHKGV-MAUKXSAKSA-N 421.454 1.277 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC12CCC(CC1)C2 1507710827 KZJVTSXVOGFBIR-OHTSDLOESA-N 406.552 1.847 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCC[C@@H](O)C2)n1 1507717214 RFVLXKAUMCAKMW-PKOBYXMFSA-N 400.527 1.874 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2([S@](C)=O)CCC2)CC1 1507719549 OPEBWRMYSWENOX-JWRCQZCYSA-N 423.583 1.059 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507967344 JNGAMUGYHRHKIH-QZTJIDSGSA-N 402.499 1.477 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccc(C)c2)CC1 1508093999 XBLFJKYKJRYTSO-SFHVURJKSA-N 410.522 1.719 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)OC(C)(C)C1 1508136439 GQFCBLRVTFKFKP-HNNXBMFYSA-N 405.524 1.945 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1508155316 LWGBEPIOYNEAFQ-QGZVFWFLSA-N 415.567 1.813 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517221963 FQODWZXISYWVRJ-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)C1=O 1517406287 MKBZMEZUXPEHSJ-RBZFPXEDSA-N 416.432 1.354 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1521130095 QJJBVPHZBHWHRH-CVEARBPZSA-N 410.469 1.630 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1CCCOCC 1523896456 WNGOFYYOZQYVTK-UHFFFAOYSA-N 400.504 1.848 30 10 HDEE N#Cc1cccc(C2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)c1 1532549262 ARHQDKRIJMXKKT-UHFFFAOYSA-N 424.482 1.419 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OCC 1535091716 QUNGFJGHCBUZFI-HNNXBMFYSA-N 421.885 1.568 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1535552602 JPQARFZUPOLKBS-QAPCUYQASA-N 418.291 1.838 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3N3CCCCC3)C[C@H]1CS(=O)(=O)C2 1538308731 REJHXANRSUKCAX-LIRRHRJNSA-N 418.475 1.595 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539072197 MXINBXFHKPTLMV-SJORKVTESA-N 409.556 1.494 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539118714 DSIGBACOCVQJTB-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1539126230 ULGYGNVQSYZGRM-CVEARBPZSA-N 419.551 1.089 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1539219012 BAWLXVPHNGYBAZ-HZPDHXFCSA-N 412.581 1.900 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1([S@@](C)=O)CC1 1539291176 NNMORIFJFLNQTR-MUUNZHRXSA-N 403.552 1.571 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1539445808 GXZNWYGCVOPYIV-BQFCYCMXSA-N 400.527 1.188 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(O)CCSC1 1543310590 BMPQXTMLMWKLAF-IBGZPJMESA-N 402.499 1.792 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1543318142 RAJZABNAKDNSMD-IAGOWNOFSA-N 409.485 1.119 30 10 HDEE Cn1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)(C)C)CC2)n1 1554365762 DVTPLRFWWLODIZ-UHFFFAOYSA-N 406.498 1.309 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)CCO1 1555993069 HKPISTSQJAHGQP-JKSUJKDBSA-N 419.482 1.291 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)nn1-c1cccc(C#N)c1 1556603572 ISENETQTWWGKLQ-LJQANCHMSA-N 417.473 1.821 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cnn(-c2ccccc2)c1I 1556750504 NDJCIGANPMLGBK-LLVKDONJSA-N 412.187 1.197 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC(=O)Nc4ccccc4C3)C2=O)cc1 1557209627 QEJFUQSSIPPKBH-SFHVURJKSA-N 417.425 1.744 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2O)CC1 1557833087 CREDPCIFHKKRHS-UHFFFAOYSA-N 400.460 1.310 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1558091741 MWPRSUIPMZJTPZ-UHFFFAOYSA-N 403.464 1.220 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC12COC2 1558226347 MNQNSVQXYDTXKQ-GJZGRUSLSA-N 409.483 1.612 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)NCc3cncc(C#N)c3)cc(C3CC3)nc21 1558449550 HDGXACRWCYBDIZ-UHFFFAOYSA-N 404.430 1.981 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2nc3ncccc3cc2C#N)CC1 1559093031 IOFMWHGCJQYNGK-UHFFFAOYSA-N 408.487 1.736 30 10 HDEE C=C(C)[C@@H](NCC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1 1559767166 UOHDPSOQHOMXSM-GOSISDBHSA-N 401.479 1.712 30 10 HDEE C#CC1(O)CCN(CC2=C(C(=O)OCC)[C@@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 1560027166 UCGIZOXETFGHRP-GOSISDBHSA-N 417.893 1.971 30 10 HDEE C#C[C@H](NC(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCOCC1 1564021978 LWHBCZAIBBQRED-AWEZNQCLSA-N 411.446 1.276 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@@H]1CCN(c2cccc(Br)c2)C1=O 1564669696 WNDKMFXCDJIDAN-MRXNPFEDSA-N 407.312 1.809 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1566816728 RQJZPLLBRMOVQR-HNNXBMFYSA-N 414.549 1.558 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C#N)cc2F)CC3)CC1 1568833771 PIKFJZNFMPOKNS-INIZCTEOSA-N 424.480 1.274 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)Cc1csc([C@H]3CCS(=O)(=O)C3)n1)C2 1583061273 NPUQFKLLAOJCII-GOEBONIOSA-N 401.513 1.743 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCC(NC(=O)COCCOC)CC1 1583821184 VPBDJUTYCVSFHS-UHFFFAOYSA-N 410.511 1.128 30 10 HDEE CN(CC(=O)Nc1cccc(C#N)c1Br)S(=O)(=O)c1cccnc1 1585444495 DYDHHAHHSFAYEP-UHFFFAOYSA-N 409.265 1.975 30 10 HDEE C#CCSCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1586900799 KUIDZYWRUZQWKL-DGCLKSJQSA-N 408.442 1.733 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1587592749 FMGSVGIVIBVKPJ-OAHLLOKOSA-N 415.929 1.616 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1587838530 YPQDGFJTXZLWDJ-RXVVDRJESA-N 423.565 1.686 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 1587862072 SRJMVWHKJRAUOB-KRWDZBQOSA-N 421.567 1.795 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1587988894 DGFKESTZSLHRGT-SFHVURJKSA-N 404.430 1.402 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCC(OC)CC1 1588083260 CYFHLPOBERZVMN-KLAILNCOSA-N 407.540 1.166 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1588458613 HWJMDJHOFREJAP-HNNXBMFYSA-N 404.515 1.946 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(OC)c1OC 1588628616 LSGLTPJPOFZFHY-UHFFFAOYSA-N 408.462 1.887 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCSC2)CC1 1588955483 YOVMERZPKORJOB-GOSISDBHSA-N 424.574 1.983 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)CC1 1594228958 FDHGVEJUMPCBIJ-SFHVURJKSA-N 424.505 1.544 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1595561834 CYTPCMNHGYIILT-GOSISDBHSA-N 406.494 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCSCC2)C1 1595723400 VZOOJDOFHVTVHK-HZPDHXFCSA-N 406.556 1.059 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1595789181 OOSLVMKQNUAZTM-MRXNPFEDSA-N 420.539 1.587 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1 1595933304 ICQRYVZTUHNFCX-FQEVSTJZSA-N 424.505 1.679 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1596832324 VDDFRWIOZYTVJZ-RYUDHWBXSA-N 409.434 1.703 30 10 HDEE N#Cc1cn(CCC(=O)NCc2ccc(OCc3ccccn3)cc2)c(=O)nc1O 1596887302 FTVUTTSGNAJPHJ-UHFFFAOYSA-N 405.414 1.501 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CC(=O)NCc1ccco1 1612599069 IGCDZASHMAPDAC-UHFFFAOYSA-N 405.462 1.694 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1 1617715277 SCNOJDGHZQRCDN-GOSISDBHSA-N 422.580 1.952 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@H](C(=O)C4CC4)C3)CC2=O)cc1Cl 1618752428 IOGWXITVTVEZFQ-PBHICJAKSA-N 401.850 1.771 30 10 HDEE CC1(C)C[S@](=O)CCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1622032572 GBWQNAUKKXQBOK-OAQYLSRUSA-N 409.302 1.991 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)c1 1622268818 BFPARRRXMDWJLY-VHSXEESVSA-N 407.311 1.823 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)/C=C/C(=O)c2ccc(C)cc2)cc1 1624837839 GQXLKDXOZHFOAE-VAWYXSNFSA-N 416.499 1.975 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1627751591 DRYIFCRQLFXOGQ-IIBYNOLFSA-N 401.463 1.776 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(S(C)(=O)=O)c2)s1 1628789074 JPSCQHXTLJEATN-UHFFFAOYSA-N 414.530 1.797 30 10 HDEE CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)n1 1629143521 YEARJBKBQNENCQ-ZDUSSCGKSA-N 400.439 1.406 30 10 HDEE Cc1ccc(C(=O)N[C@H]2C(=O)N(C)Cc3ccccc32)cc1S(=O)(=O)NCC#N 1629664906 NDSOJRQOKZKYIB-GOSISDBHSA-N 412.471 1.240 30 10 HDEE N#Cc1cc(Cl)c(C(=O)NCCNS(=O)(=O)Cc2ccon2)c(Cl)c1 1630509620 GLFGXVXKRJGLEJ-UHFFFAOYSA-N 403.247 1.702 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(CC(=O)NCCO)cc1 1631600650 GCVWPQGKQZTVRN-UHFFFAOYSA-N 408.458 1.957 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCC3(C#N)CCCCC3)CC2)cc1 1633090337 ITKZKDKNGKYJGX-UHFFFAOYSA-N 418.563 1.892 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](OC)c2ccc(Br)s2)CC1 1634876639 XSVRUWHPDZNXNP-OAHLLOKOSA-N 414.325 1.092 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCO[C@@H]1CCCCO1 1635817609 YMRFZRFVFZFZQO-GOSISDBHSA-N 409.508 1.555 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC[C@]4(O)CCOC4)CC3)n[nH]2)cc1 1636662481 VXTPFWAKCSUMLS-NRFANRHFSA-N 410.478 1.321 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)C1 1636813363 SMUSBVUYZDHEDH-UHFFFAOYSA-N 417.314 1.601 30 10 HDEE Cc1nnc2n1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)[C@H]2C 1637891955 PNUZCLGAZXAQKX-LBPRGKRZSA-N 402.480 1.009 30 10 HDEE COc1cc(I)c(C(=O)N2CC[C@@](O)(CC#N)C2)cc1OC 1638967511 BLPAZBWVBNKYQS-HNNXBMFYSA-N 416.215 1.799 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)C1=O 1639594540 NOWWCYGAJFIIHD-GCKMJXCFSA-N 407.511 1.505 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1639869562 NTGRKTACINFJRO-OAHLLOKOSA-N 422.507 1.955 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CSc1ccc(S(N)(=O)=O)cc1)C2 1639992790 HLDIOOMIZQZBHP-UHFFFAOYSA-N 408.530 1.526 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cn(CC(=O)OC(C)(C)C)nn2)C1 1640221869 MBBLEXHNMHZAJN-KRWDZBQOSA-N 410.478 1.842 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N=c2cc[nH]n2Cc2ccc(C(C)C)cc2)c(=O)n1C 1641324977 BCJAJASMVZCQPV-UHFFFAOYSA-N 420.473 1.156 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 1641664834 LBTZXVKCKWZQDR-FVQHAEBGSA-N 419.503 1.193 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCS(=O)(=O)c2cccc(Br)c2)C1 1644637984 FRLCGUFYLQJMNA-HNNXBMFYSA-N 413.337 1.827 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCO1 1647990984 JTSOIHVPPDCMMN-HNNXBMFYSA-N 421.397 1.395 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2SC(F)F)c(=O)n1CCO 1652166805 IRJKFWYUERWGCB-UHFFFAOYSA-N 410.402 1.136 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)[C@@H]1CCCc2ccccc21 1652653957 XEWFDEQSNXJHSE-IFMALSPDSA-N 409.530 1.707 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1653849089 SNQMRLUMGVXBGP-UHFFFAOYSA-N 422.482 1.069 30 10 HDEE N#C[C@@]12CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1660310185 UITDHXZLWVLRBG-MJEQTWJJSA-N 424.320 1.425 30 10 HDEE COc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1F 1663733851 DALCUFMUFXCDRT-MRXNPFEDSA-N 421.425 1.924 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1665797295 TYAAWXKUDIXYBM-LSDHHAIUSA-N 420.528 1.440 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1667559155 YVDJRTPFUJUQNY-FQEVSTJZSA-N 405.426 1.319 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(=O)nc1O 1670589644 DFKQZRCGSZNMMH-GFCCVEGCSA-N 420.832 1.191 30 10 HDEE CN(C)CC1(O)CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1671691149 FZJHRUOBDJZRDY-UHFFFAOYSA-N 402.314 1.398 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCCc3c[nH]c4ccc(F)cc34)C2)c(=O)nc1O 1681076430 IPFNBEKNLYJXRE-UHFFFAOYSA-N 410.409 1.640 30 10 HDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C 1681724778 RQGXQHPGSMKHNF-IBGZPJMESA-N 422.551 1.104 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1682341375 XTAMUBURMKRYCJ-UHFFFAOYSA-N 400.512 1.489 30 10 HDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(Cl)cc1F 1683688664 GEOJYISLLXNJIR-CYBMUJFWSA-N 409.892 1.510 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1)C1CCOCC1 1684034246 AFCNPQDAWGUBMD-RTBURBONSA-N 406.504 1.601 30 10 HDEE C#CCN(C(=O)NCc1cccc(NS(=O)(=O)C2CC2)c1)C1CCN(C)CC1 1685705373 GPKCSVWRHDYVCO-UHFFFAOYSA-N 404.536 1.830 30 10 HDEE C#C[C@H](NC(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1)C1CCOCC1 1687126754 VHGOTLHZEJSRBP-SFHVURJKSA-N 408.543 1.703 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](C)N2CCN(CC)CC2)c1 1689868488 IENYKMDRVGWMRC-SFHVURJKSA-N 423.565 1.669 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689991154 XBNABJBAGRWEHK-INIZCTEOSA-N 408.568 1.799 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CCS(C)(=O)=O 1690106460 XCPWZXNFCQLGPC-UHFFFAOYSA-N 415.519 1.412 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2[C@H]2C[C@H]2C)n1 1690108001 LPTLTQMPESUSOV-AEFFLSMTSA-N 411.510 1.578 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1690262827 PSSPYQISCLRWKA-UHFFFAOYSA-N 419.551 1.991 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCC(=O)NC)CC1 1690402752 OPUQQXYHVHBNBJ-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690507792 WWQWAMJYDDFNCM-IIBYNOLFSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(=O)C(C)C)CC1 1690675413 ZSFUDUDWPPBTMJ-UHFFFAOYSA-N 424.549 1.670 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CO)CC1 1690733595 IYWSUEUQOCWKRF-CYBMUJFWSA-N 403.574 1.016 30 10 HDEE CC(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCC1 1691600886 FRNANEKFLOKUOA-ROUUACIJSA-N 415.542 1.250 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)no1 1694583346 FUFMXRRKRFEVQM-UHFFFAOYSA-N 406.450 1.283 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1705571261 XYRFFZCMXSHPCQ-DOTOQJQBSA-N 419.576 1.642 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1(S(C)(=O)=O)CCC1 1705596598 IZQVGCHUDOTUDS-KRWDZBQOSA-N 404.536 1.950 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2ncccn2)CC1 1705745120 AMABEVDYOOOIMJ-OAHLLOKOSA-N 407.906 1.871 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1705830526 ROWKUTJJBNIDSV-QGZVFWFLSA-N 406.531 1.964 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1705855278 ABXHBWQTGANBOR-QZQOTICOSA-N 419.489 1.945 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1705860726 NYHSNPRPKUKPDQ-UHFFFAOYSA-N 406.494 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1705899909 KMDGKJXMWGPLMY-UHFFFAOYSA-N 404.434 1.110 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nnn(C)n2)C1 1705928852 IHEFKVOFMZVMRW-KRWDZBQOSA-N 410.482 1.519 30 10 HDEE C=CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)C1 1705942058 GQALBPBVZCCAIT-UHFFFAOYSA-N 421.548 1.204 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1712320145 DZULWDJGBJFFPS-YCRPNKLZSA-N 412.494 1.271 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)nc2)CCO1 1712883764 YQDOBDOSFXXCSG-CQSZACIVSA-N 401.858 1.340 30 10 HDEE C#CCCCCCC(=O)N1CCC(N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1719656716 FSHAAUNQQJBCAJ-JRHPMUGDSA-N 402.535 1.805 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1722291684 GAMDTASFLYJRDE-CQSZACIVSA-N 412.523 1.478 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(N)=O)c2)C1 1722720240 IWCVYDUEZSGNPA-SFHVURJKSA-N 424.505 1.329 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1722867421 GJLINNMNMBNZRL-GQIGUUNPSA-N 417.535 1.684 30 10 HDEE CC(C)(C)n1ncnc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1722969201 MNICSCGBKUIEST-HUUCEWRRSA-N 400.487 1.296 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1740553354 RCNNSYZEGGWUIF-OCCSQVGLSA-N 408.553 1.431 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740616461 BLFSZXWQUBSFRO-OAHLLOKOSA-N 409.556 1.333 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)c1ccccn1 1740678317 JCXMVBOWEMSFOC-UHFFFAOYSA-N 410.522 1.973 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OC)nc2)CC1 1740698305 QWVBOALBDUHGJT-UHFFFAOYSA-N 423.546 1.841 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1740848225 FSRRTVBUJBJAIG-KRWDZBQOSA-N 404.559 1.990 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1740925341 BQKIINSYHHYOCW-UHFFFAOYSA-N 402.543 1.803 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1741001310 QWLNOOUGMJTHDF-HZPDHXFCSA-N 406.556 1.453 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1748302158 CKOXLDNEMVAVLE-GOSISDBHSA-N 413.478 1.605 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C)N1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748814950 MAAIQQGZAZZCBM-JENIJYKNSA-N 419.595 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cscc2C)CC1 1748972986 UJKDMIUPBUFQSO-OAHLLOKOSA-N 422.580 1.062 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NCC(F)F)CC1 1748982917 FOZPBMFHUGHTET-UHFFFAOYSA-N 422.867 1.735 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1749578872 HCMUJBHNVJKDDD-UHFFFAOYSA-N 402.543 1.690 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749721885 WDMQCIVVSWLSJD-HUUCEWRRSA-N 418.585 1.406 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cnccc1OC 1750006633 HUDDKLADLIZYEH-HOCLYGCPSA-N 402.455 1.183 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCc2nccn2C1)[C@H]1CCS(=O)(=O)C1 1760183282 PXZOQNDXIQFXCF-IRXDYDNUSA-N 416.551 1.487 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(F)(F)F 1760200267 ALKMYFZRQJJYNT-UHFFFAOYSA-N 400.364 1.827 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)ccc2C)n1CCNS(C)(=O)=O 1760237786 VOJRQCYNOBRNKO-UHFFFAOYSA-N 405.524 1.483 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C)c(C)s2)CC1 1760256119 CTRHDEHFXDZDNP-INIZCTEOSA-N 418.567 1.879 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)c2)CC1 1760389547 MXLRGBRELXTUAZ-KRWDZBQOSA-N 404.540 1.703 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760449264 FNYHUGXOVZMAFX-SJORKVTESA-N 412.494 1.875 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760450929 VZMNTGWRHPPOKT-ZACQAIPSSA-N 405.499 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760518463 AHLBIKGDEWPSCO-QZTJIDSGSA-N 408.506 1.525 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2sccc2C1 1760530310 NMRHZXVTLBYVAR-YJBOKZPZSA-N 417.535 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)C1 1760553825 JCYRUWFTIBYIAE-ZDUSSCGKSA-N 407.496 1.453 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1764543531 GOLODMSYFBXQTI-LJQANCHMSA-N 423.521 1.838 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@](C)(C#N)C1 1768285571 JICRSRBENPURJF-SFHVURJKSA-N 405.528 1.733 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1768635070 YZUODRBHJSFECJ-ZWKOTPCHSA-N 410.478 1.543 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCCOCC(F)F)CCN1C1CC1 1770747018 DXLRILBLONKTAQ-GOEBONIOSA-N 410.469 1.630 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(O)c1 1771222865 NGPKYKOEDATYHZ-GDBMZVCRSA-N 417.466 1.493 30 10 HDEE Cn1nccc1[C@H]1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCC(=O)N1C1CC1 1772790639 SCSJCTNRJHKRKW-CRAIPNDOSA-N 408.414 1.617 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCO2)c1ccc(CC#N)cc1 1849525073 QRXVRDFIHMXHSP-UHFFFAOYSA-N 415.471 1.855 30 10 HDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(CC#N)cc1 1849826450 JEIZSPITKQNYBF-AWEZNQCLSA-N 418.441 1.824 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1850069010 YKECHSBRUABURF-ZDUSSCGKSA-N 403.957 1.626 30 10 HDEE C=CCN1C[C@H](C(=O)NCCn2nc(C)c(I)c2C)CC1=O 1850287161 JIWIGYBSXHTQDB-GFCCVEGCSA-N 416.263 1.255 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)NC1=O 1851594860 CIEQSUBYNDUYFA-ZETCQYMHSA-N 405.764 1.746 30 10 HDEE CCOCCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(C)n1C 1853407420 LTZBBWXNCYLSAY-UHFFFAOYSA-N 420.491 1.521 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@@H](C2CCN(CCN3CCOCC3=O)CC2)CC1=O 1853903483 PUUSAMJOGJYANA-MJGOQNOKSA-N 405.539 1.535 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2)cc1C 1854024383 AMHMXOYEEIXPSM-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)c2cc(Br)ccc2Cl)CO1 1854121340 UIQBRQVGIWMQKY-VIFPVBQESA-N 409.645 1.728 30 10 HDEE Cn1cc(CCC(=O)N2CCN(CCOc3ccc(C#N)cc3)C(C)(C)C2=O)cn1 1854446448 YGJNXWLJYHZLPF-UHFFFAOYSA-N 409.490 1.753 30 10 HDEE CN(c1ccncn1)C1CCN([C@H]2CCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1854480933 PVHFEVUVHJVPIM-IBGZPJMESA-N 404.474 1.690 30 10 HDEE COc1ccc(CC(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)cc1C 1854998083 MEKINADDPUDNKT-UYAOXDASSA-N 412.534 1.984 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)c3nccc(N4CCOCC4)n3)C2=O)CC1 1855597890 MAYYKDCBHJTJKE-KRWDZBQOSA-N 412.494 1.070 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)Cc1ccc(C(F)(F)F)cc1 1856213347 RQYUTNFJUBTPTC-LLVKDONJSA-N 403.382 1.508 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)cc1 1857077645 KDULVKFRHGTYJS-HNNXBMFYSA-N 412.471 1.465 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCCCO3)C2)CC1 1857384415 LYBOLQORZUPURQ-PKOBYXMFSA-N 411.506 1.410 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 1857789547 INXZZSZBRLXKNT-UOJYREBFSA-N 420.458 1.525 30 10 HDEE C=CCOc1cn(CCOCCO)c(CN(CC)CCc2ccncc2)cc1=O 1870386731 BMKKZXRVERVBIO-UHFFFAOYSA-N 401.507 1.882 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(CCOCCO)CC2=O)nc1-c1ccccc1 1872796288 TWWJHVDGYLZEGV-UHFFFAOYSA-N 417.487 1.508 30 10 HDEE O=C(O)CCc1nnc(S)n(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1=O 1873498021 ITYVJLGBSWLLHO-GIJQJNRQSA-N 415.387 1.995 30 10 HDEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873594603 XKQWNJYCOUJDPW-HNNXBMFYSA-N 412.494 1.228 30 10 HDEE CN(CC1CCN(C(=O)Cn2cnc3ncccc3c2=O)CC1)c1ncccc1C#N 1891224399 XBIDXUCNNHHIDV-UHFFFAOYSA-N 417.473 1.433 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)c2c(Br)cnc3nccnc23)C1 1891327063 ZDVRCZWRLUHLEK-UHFFFAOYSA-N 411.219 1.957 30 10 HDEE CC#CCN(CC(=O)NCCN(CC(=O)O)Cc1ccccc1)C(=O)OC(C)(C)C 1900633072 QAWQQYRMWSWAED-UHFFFAOYSA-N 417.506 1.950 30 10 HDEE C=CCn1ncc(N[C@H](CO)CNC(=O)OC(C)(C)C)c(Br)c1=O 2011422073 OIKPIDFMVRYJHX-JTQLQIEISA-N 403.277 1.489 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(Br)cc1C#N 2060791767 GMSRHSZVCNHOHQ-UHFFFAOYSA-N 411.256 1.900 30 10 HDEE Cn1nc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2074367963 PDYATUYVTBQKEB-GHMZBOCLSA-N 414.308 1.022 30 10 HDEE Cc1nc(S(=O)(=O)NCc2cnc(B3OC(C)(C)C(C)(C)O3)s2)cs1 2092622122 OPWOVNNBUSSQNF-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C 2118165793 AKUMCQQHZFPKMG-RUZDIDTESA-N 402.498 1.607 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 2174784471 OBDQSMJLRHKHPN-HOCLYGCPSA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)CC(C)(C)[C@@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2185447329 VLDQSNAYJCZITB-HUUCEWRRSA-N 400.541 1.965 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 2195281818 FJQPWHSFLJTPNF-LOKFHWFJSA-N 404.529 1.916 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](CS)C(=O)O)[C@H]2CCCO[C@@H]2C1(C)C 2195311584 RHELZUDYPRJCMV-YEGJMSHXSA-N 402.513 1.584 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H]2CC2(Br)Br)CCOCC1 2224832452 IELQACJHTLXMOG-SECBINFHSA-N 416.135 1.732 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CCNS(=O)(=O)N1CC[C@H](C#N)C1 2234595476 XRQRHPDEXWHLAN-OLZOCXBDSA-N 408.471 1.701 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCNC(=O)OC(C)(C)C)n1 2243388186 HQDGYHGOBQEEBH-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)(CO1)C2 2243429101 WZRNYWDESHDKTO-UHFFFAOYSA-N 406.288 1.564 30 10 HDEE Cc1nc(NC(=O)[C@H]2C[C@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248420585 XCBPMORZZMROGD-GXTWGEPZSA-N 418.303 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249998078 CVXVMCQFCOGMMF-OWCLPIDISA-N 420.315 1.762 30 10 HDEE N#CCc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270503167 AMTJDWOQFFAZGL-KRWDZBQOSA-N 417.443 1.874 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@]3(O)CCNC3)c2Cl)OC1(C)C 2281943638 OTGSQDCXLGJNHS-QGZVFWFLSA-N 400.737 1.545 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC(O)(CN)CC3)sc2Cl)OC1(C)C 2281967573 YZRIAMHZAJDOBC-UHFFFAOYSA-N 400.737 1.627 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282192740 BEDSDDAZEATJNE-NSHDSACASA-N 402.347 1.057 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCN[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282317990 BRAQPBYXUVQSQD-OLZOCXBDSA-N 400.375 1.775 30 10 HDEE CC1(C)CCNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344280 KFWUGEMOFVLUOJ-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CCN(C)[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282421921 VBCMSXPBVZOCIQ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE COC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282492809 QPUAWVBJQNLAHY-CQSZACIVSA-N 401.359 1.892 30 10 HDEE C[C@@H]1CCNC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505990 LUVSCRHBOSIVMS-OCCSQVGLSA-N 400.375 1.465 30 10 HDEE CC1(C)[C@@H](O)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282507713 LQCXYAOYKVXBOJ-ZDUSSCGKSA-N 401.721 1.783 30 10 HDEE CN(C1(CO)CC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512856 WDFYYSHKBIQORH-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE Cc1nc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282520979 UWOJBNITUUHCNN-PQIHIXOVSA-N 400.246 1.217 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C[C@@H]1N 2282828051 HZXISSRAVQTSCZ-FZMZJTMJSA-N 400.737 1.607 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@]23C[C@H](CO2)C3)OC1(C)C 2282834376 SWMXFYMVOIRMDT-AITUWYQGSA-N 400.331 1.041 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC(F)(F)CO)sc1B1OC(C)(C)C(C)(C)O1 2282841637 OYKPJQPAMXZYSD-UHFFFAOYSA-N 411.301 1.604 30 10 HDEE COCCN(C1COC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848104 JDEQKMYRNYVGDM-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE CCC1(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CNC1 2282866783 PBGDMAWMFMAJKD-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC=C[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284395080 HHVURHQBTPKHLP-SNVBAGLBSA-N 419.717 1.714 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C(=O)O)O1 2284399537 LKJRIVQTDMEGQV-SNVBAGLBSA-N 403.287 1.135 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284406250 VYLITPQUZURLFR-CYBMUJFWSA-N 403.693 1.781 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2290386558 YFGCFTPWPBHNKF-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE Cn1c(=O)c2nc(CC(=Nc3ccc(F)cc3)c3ccccc3)c(=O)[nH]c2n(C)c1=O 2297640455 NITOCBKJCOYVDD-UHFFFAOYSA-N 419.416 1.823 30 10 HDEE O=C(C=Cc1cccc([N+](=O)[O-])c1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn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c3ccccc3)C2)CC1 20354329 MEZHOMZIGOSWSO-IBGZPJMESA-N 421.501 1.934 30 10 HDEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@H]1CC(=O)N(c2ccccc2)C1 96351094 KOSLJMDMYWKSDH-SFHVURJKSA-N 402.454 1.737 30 10 HDEE C[C@H](C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1)n1cnc(C#N)n1 409867779 LLTXYFBLUDNEMU-YGRLFVJLSA-N 403.240 1.173 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)NCCc3ccccc3OC)cc2C1=O 437751762 XLQMLDYZBAROBY-UHFFFAOYSA-N 421.453 1.566 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 460800864 UPLYOVJZLQQVKO-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1nc2c(s1)C(=O)CCC2 487333232 CVQYARQMLLCWFX-JTQLQIEISA-N 404.473 1.839 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 487346402 OIYSLFGRYIVBRU-ZJUUUORDSA-N 421.397 1.312 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1C#N 489445703 ZKIGLZYNYGMSAU-AWEZNQCLSA-N 415.393 1.999 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccccc3C#N)CC1)C2=O 505678903 UKJWFNRXRHAAHU-UHFFFAOYSA-N 409.490 1.708 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Nc3cnn(-c4ncccn4)c3)C2=O)cc1 506595334 JHJMXPIJPQVKAQ-QGZVFWFLSA-N 402.418 1.851 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 508108361 CEJNRAHLEVXNEK-MRXNPFEDSA-N 406.508 1.535 30 10 HDEE C[C@@H]1CN(C2CCOCC2)CCN1CC#CCN1CCN(C2CCOCC2)C[C@H]1C 516751956 BWJWZKOBCSEVCV-FGZHOGPDSA-N 418.626 1.360 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)NCc1ccc(C#N)c(OC)c1)C2 519042685 QAKCAOXUYXAXPA-UHFFFAOYSA-N 414.487 1.743 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@@H]3CCCO3)c2=O)c1C 520896959 HVIJPZDRFLQHIP-SFHVURJKSA-N 423.538 1.487 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)cc1F 522110335 KYHBTGCKNWNCKK-UHFFFAOYSA-N 422.485 1.952 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 533514285 FJMLYAVYBFGJAT-OAQYLSRUSA-N 409.534 1.540 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1F 534179019 JRXDTYNSOGOIEX-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1S(C)(=O)=O 535446401 MXPSGTJAQILZPM-AWEZNQCLSA-N 414.491 1.803 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1 543385392 ARDDDVPQHKIUSP-UHFFFAOYSA-N 406.464 1.851 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546877429 SKXMVYWHVULEMY-KRWDZBQOSA-N 405.524 1.196 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(C#N)n2)CC1 546917343 VHOFZVJANMHLKG-DENIHFKCSA-N 418.545 1.854 30 10 HDEE CCN(C(=O)Cn1cc(C#N)c(=O)c2cc(C)cc(Cl)c21)[C@@H]1CCS(=O)(=O)C1 549198684 QGRUBEWVHRNOBO-CQSZACIVSA-N 421.906 1.871 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=C)C)CC1 558982271 HFGLREKFNPXXTD-UHFFFAOYSA-N 424.549 1.878 30 10 HDEE CNC(=O)[C@H](CCSC)NC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 561810026 GPZLFXDGQOWIAL-ZDUSSCGKSA-N 406.899 2.387 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NCc1cc(F)c(C#N)c(F)c1 588822516 JPCFLKDKRCWGRP-GOSISDBHSA-N 406.389 1.068 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CCN3CCOCC3)cc2)CC1 605411752 OGGFGUQOOUCMOD-UHFFFAOYSA-N 415.538 1.013 30 10 HDEE Cc1nc(=NC(=O)CCn2nc(O)c3ccccc3c2=O)n(-c2ccc(C#N)cc2)[nH]1 610110063 QNGCOWKFRFZJPQ-UHFFFAOYSA-N 415.413 1.314 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611645052 YYFNKJNCADVTEN-SFHVURJKSA-N 412.471 1.930 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)c(F)c1 729884445 KVGOCZSIZYICMA-UHFFFAOYSA-N 408.389 1.996 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730141158 NPIUNSGGOZTVLP-INIZCTEOSA-N 419.551 1.049 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1 732155764 FCUZKJBQEBZNPQ-ZZEZOPTASA-N 417.487 1.659 30 10 HDEE C#CCOc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)cc1 743293406 YKGWJGTWUAIISW-UHFFFAOYSA-N 416.455 1.677 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CC1 747850232 WJKKBMLFXTVLFB-UHFFFAOYSA-N 417.409 1.338 30 10 HDEE Cn1c(N2CCC[C@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 749677461 TXXBMDMYQRSSDF-GOEBONIOSA-N 417.510 1.572 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCCCn2ccnn2)c1 752518655 SXLGFXPIORBRDF-PGMHBOJBSA-N 405.484 1.303 30 10 HDEE CC[S@](=O)CCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 753006477 QLUWSIMTAZRKKQ-NDEPHWFRSA-N 402.524 1.635 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)[C@H](C)C1 760750569 KPCMDCVDIZNGRW-WVCJAJDESA-N 421.523 1.584 30 10 HDEE CCOC(=O)c1cn(CC(=O)NCCC#N)c2cc(Br)ccc2c1=O 769511524 IDHDONBXNLPKNV-UHFFFAOYSA-N 406.236 1.971 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)[C@@H]1CCCO1 773057181 PGYWKIDQDOTMFG-KGLIPLIRSA-N 418.309 1.933 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1)[C@H]1CCS(=O)(=O)C1 774171549 QGSJZFNFQRPPCO-YJBOKZPZSA-N 405.520 1.547 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 775988356 MZRGKCHWKVMJDU-LHKXHVCISA-N 421.523 1.617 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CCCC1 779313927 CKYNCXDFVHYSIV-IPYPFGDCSA-N 414.553 1.242 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)nc12 783115130 GQQJSZOXKWGWOX-CYBMUJFWSA-N 413.340 1.681 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)n1 788634767 MMTMHANHFZQQIA-UHFFFAOYSA-N 422.482 1.881 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2ccnn2-c2ccccc2)c1=O 790360894 OXYBAORNLGXEFL-MRXNPFEDSA-N 416.506 1.847 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 795055812 CHQTVTOEDCLHIW-PKOBYXMFSA-N 413.522 1.096 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1 797695021 JGBZJLZFFOMHRL-GUXCAODWSA-N 406.504 1.397 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 809886463 ZWRHESXLCRMRAU-CABCVRRESA-N 421.498 1.772 30 10 HDEE CN(C)c1cc(Br)cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 815555776 HXKIFHBGIGSMCQ-BMRADRMJSA-N 407.268 1.771 30 10 HDEE CN1CC[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@H](c2cnn(C)c2)C1 849560214 YOZLFHZAEYIROQ-RTWAWAEBSA-N 422.533 1.927 30 10 HDEE COc1ccccc1NC(=O)[C@@H](C#N)C(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 916930450 YBCLTQKSSFQXIU-GJGORFQUSA-N 412.446 1.843 30 10 HDEE Cc1ccc(N2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CC2)cc1 918368660 BSCHWADFXSDARU-UHFFFAOYSA-N 412.515 1.772 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c1 918386986 LPKLKZYDUWMWDA-INIZCTEOSA-N 421.519 1.727 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 1084004930 UZUIZUGZVBFQSF-UHFFFAOYSA-N 418.487 1.208 30 10 HDEE C#CCN(C(=O)[C@H](OC)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1125883102 IBFCQUNKWVEOJQ-SWLSCSKDSA-N 400.294 1.786 30 10 HDEE COC(=O)CN(CCC(F)(F)F)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1126955477 JLBLAGBYAFFVCC-UHFFFAOYSA-N 421.397 1.446 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@@H](c3cccc(Cl)c3)[C@@H]2C)C1=O 1131192988 USNFHJNDIKBZQH-BLLLJJGKSA-N 405.838 1.605 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@H]2C(=O)N[C@@H](C)CC)c1 1135839249 XBZHFMLAHGFOAO-YOEHRIQHSA-N 408.545 1.913 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)NO)cc2)s1 1139232325 IPJCEOIEIOJLCO-UHFFFAOYSA-N 409.489 1.190 30 10 HDEE N#C[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1140739721 QJDLTSGCQKKENG-HNNXBMFYSA-N 417.443 1.263 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1152043223 VMGBRJCDGQNWLH-XAUUPUKJSA-N 411.524 1.490 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1[nH]c2ccccc2c1C#N)C1CCCC1 1161445711 BKCIBFLCQUHILI-KRWDZBQOSA-N 403.508 1.724 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@H]1COC2(C1)CN(C(=O)OC(C)(C)C)C2 1166258797 KEIWDWFUKGQLJT-OAHLLOKOSA-N 417.462 1.840 30 10 HDEE CC[C@](C)(C(=O)OC)N(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)CC1CC1 1171369901 GFAVLTZVFSQKEL-OAQYLSRUSA-N 417.510 1.557 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196698287 PYHJZSDFQOYUDL-QGZVFWFLSA-N 415.899 1.862 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1205614097 CAWVXJKJBKHRIY-MOPGFXCFSA-N 414.506 1.885 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccnn1C1CN(C(=O)OC(C)(C)C)C1 1210263569 CEUVKSXKASZSHU-UHFFFAOYSA-N 413.500 1.397 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1226111430 IVBWULCKSPFZNQ-COXVUDFISA-N 400.435 1.026 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1 1278478713 YDIIVEIDVZZJCT-HNNXBMFYSA-N 416.474 1.860 30 10 HDEE C#CCOCCC(=O)N1CCCC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1286070524 VLIHVTQUKCTPRY-LHQQFIGISA-N 400.519 1.681 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286347144 IUXKBEUYYBSYLB-UHFFFAOYSA-N 407.482 1.217 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC(C)(C)C1 1286349183 FSMIBEDHVSOIBS-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCCC 1286407058 BJDPYTRLPFWNHI-UHFFFAOYSA-N 403.446 1.193 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1286446048 CNKLYHWGOFVZSQ-CQSZACIVSA-N 407.565 1.901 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCc1n[nH]c(C)n1 1286466634 KZZGISBBEVPQFD-UHFFFAOYSA-N 419.493 1.272 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286702196 NEMXBJPILHAPOL-QGZVFWFLSA-N 409.494 1.703 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(=O)N(C)C)c1 1286716907 SXWJBHDFNANHTA-UHFFFAOYSA-N 414.510 1.554 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@H](OCCOC)C1 1286786977 NJYWQDWYHPHLRL-MRXNPFEDSA-N 424.505 1.970 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(N)=O)c1 1286958969 CLORHZXPCYLSMP-HNNXBMFYSA-N 409.494 1.452 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCN(C)C2)CCOC1 1288277432 QUNDEQHWPFCSBX-PWIZWCRZSA-N 406.531 1.124 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)nc1C 1293014224 MDOLLUHNRTXSDA-MNOVXSKESA-N 422.536 1.936 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc(C)nc2ncnn12 1294242701 UWOBOULIDAXSIH-CQSZACIVSA-N 401.471 1.268 30 10 HDEE COC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1294685413 PXUOBYBHECKXAK-CYBMUJFWSA-N 413.805 1.682 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC23CCOCC3)cn1 1298163951 KTEXXINVHKIYFQ-JVMRMLDLSA-N 413.478 1.059 30 10 HDEE Cc1cc(Br)ccc1C(=O)N1CCC[C@@H](C(=O)N[C@H]2CCN(O)C2=O)C1 1298427363 USIVAACHMCYSRC-DOMZBBRYSA-N 424.295 1.716 30 10 HDEE COCCN(CC#N)C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1298927250 AVFRKPWEUDOMSR-ZDUSSCGKSA-N 424.295 1.915 30 10 HDEE CO[C@@]1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1299816898 FTFYCSXTUGTMMM-RBUKOAKNSA-N 403.462 1.387 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1300268089 MVQGUWSUWZFETI-QZTJIDSGSA-N 402.543 1.329 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCCN2CCOCC2)c1 1300333322 ZIIFROSRWUGTJX-UHFFFAOYSA-N 422.533 1.934 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300494109 YTUGUNBXPPOASS-SFHVURJKSA-N 414.535 1.806 30 10 HDEE Cc1nnc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1300525018 GIOQCIOYNJIZKP-UHFFFAOYSA-N 403.464 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1300595670 FYDASXIJDQVPAU-IAGOWNOFSA-N 405.524 1.017 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1cn2ccccc2n1 1300650293 SFPZMFDZPDLZNT-UHFFFAOYSA-N 421.505 1.491 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C 1300671638 LWVLCRCUPAHIHL-INIZCTEOSA-N 406.508 1.524 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300999763 GHNDFEDRVWIROU-QGZVFWFLSA-N 420.514 1.174 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)CC1 1301086675 YZLFGUZKTNLDLB-HNNXBMFYSA-N 407.540 1.395 30 10 HDEE C[C@H]1CC[C@H](c2nc(CC(=O)NCCn3cc(C#N)c(O)nc3=O)cs2)CC1 1301213455 PYIYAKDAFHXLFI-JOCQHMNTSA-N 401.492 1.930 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(O)CCOCC1 1301426138 OLACLBZKGGYLQF-UHFFFAOYSA-N 407.540 1.814 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1301491017 KWAMUTNNQJXMNE-JOCHJYFZSA-N 421.505 1.387 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1302034495 MQNNJQUROPWMLD-RTBURBONSA-N 416.522 1.705 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1303411206 JBOZLCOPCXXHBT-SJORKVTESA-N 409.494 1.660 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1305222266 JVXZVSNHTCEBOE-CRAIPNDOSA-N 414.535 1.534 30 10 HDEE Cn1nccc1CN1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1305732933 XSGSDZXJTMNAEL-UHFFFAOYSA-N 418.295 1.777 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)c2cc(C#N)c(Br)cn2)CC1 1306953798 LPXDFCQEIDPLSZ-UHFFFAOYSA-N 409.284 1.954 30 10 HDEE C#CCNC(=O)CN1CCN([C@H](C(=O)OC)c2ccccc2Br)CC1 1307796084 XZMXSZCUCZUMEG-KRWDZBQOSA-N 408.296 1.030 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(S(C)(=O)=O)[C@H](C)C1 1307932034 QXJRSJOSOQVGDG-HZPDHXFCSA-N 408.524 1.296 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN2CCC3(C2)OCCO3)cc1Br 1309880785 FERBJFAFEIYEIB-UHFFFAOYSA-N 416.297 1.048 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C2)C1 1313108374 RJABXKLEJSLLRL-OAQYLSRUSA-N 411.462 1.630 30 10 HDEE CCOC(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1314054654 GMGKTEMMPRNXFL-OXJNMPFZSA-N 407.515 1.863 30 10 HDEE CN1C[C@@](C)(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1=O 1314924676 ZFDCHUPQKXQYMJ-PFKNGNAYSA-N 416.526 1.404 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CCO1 1315928749 ALDLGSGFHPBTIZ-MRXNPFEDSA-N 411.491 1.877 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCOC(C)(C)C1 1316176367 HEJFMKASAUKNIL-OXQOHEQNSA-N 424.521 1.555 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCC(F)F)CCO1 1316538687 AERKLQAMWIFVGA-CJNGLKHVSA-N 421.404 1.801 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CCO1 1316539666 FPJLGFXRMSTXLZ-GOEBONIOSA-N 421.910 1.611 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1320031715 ZKYQRXBDVPDSEA-JZXOWHBKSA-N 408.520 1.902 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)C1 1325205993 MJPJTPHTPULFPF-HNAYVOBHSA-N 407.492 1.092 30 10 HDEE COC(=O)c1cccn(CC(=O)N2CCSC2=Nc2ccccc2OC)c1=O 1349116642 HEBLOQGBNVQTKI-UHFFFAOYSA-N 401.444 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1358870818 UWTGLIRKFGWYIL-GFCCVEGCSA-N 424.431 1.795 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1358892335 XOZXXEVFGGWWSX-CQSZACIVSA-N 408.528 1.432 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1358968433 LRFXJEFJFCSDJL-OAQYLSRUSA-N 401.580 1.856 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1358977643 RKTCAEQSEIVEJY-HNNXBMFYSA-N 414.510 1.605 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nc(C2CC2)cs1 1359018224 IJAZIFLDYJUADG-UHFFFAOYSA-N 402.524 1.885 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cc(C)no2)CC1 1359030999 MRLLCNFTDBSVHY-FQEVSTJZSA-N 400.483 1.030 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC(C)(C)C(=O)NCC)CC1 1359045656 OXNZXRLZBXPAMX-UHFFFAOYSA-N 416.570 1.605 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359075658 BGZIYCSCGUVQAY-NEPJUHHUSA-N 411.304 1.040 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1359124815 FOWUBTJNXYHKFB-OAQYLSRUSA-N 418.542 1.844 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1359135119 SANSPFCNHCPXDA-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359201825 AXFFAFSKAGEIBW-UHFFFAOYSA-N 400.527 1.829 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1359203731 UXAMDLNBMMSDPT-HZPDHXFCSA-N 410.544 1.563 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359297451 QUQDERDXQALMMT-UHFFFAOYSA-N 424.509 1.835 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OCC)C1 1359302303 BSTFEMFBJZCSQW-SFHVURJKSA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(C(F)(F)F)CC1 1359303447 OUWSTMFTMGQRKA-UHFFFAOYSA-N 414.432 1.481 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)C1 1359313167 HUTSCLIHQRYGNT-LSDHHAIUSA-N 415.535 1.952 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1359317068 BCXILLWBFPNGCK-IBGZPJMESA-N 422.489 1.457 30 10 HDEE N#C[C@@]1(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCCOC1 1435582148 OPEVAISVHREFIL-HNNXBMFYSA-N 406.382 1.795 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1 1439606729 BOVSIWGTJZTLJY-TYILLQQXSA-N 419.528 1.158 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1440918628 CFKUAOHPMHJWGC-UHFFFAOYSA-N 418.902 1.831 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccnn1CCc1ccccc1)c1cc[nH]n1 1442585819 XRAAMCOCQDSUFK-UHFFFAOYSA-N 410.434 1.771 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(CO)ccn1 1451920992 FLDPFOAPDFKUHA-OAHLLOKOSA-N 402.476 1.810 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(CC(=O)OCC)n1 1451972788 LUYZFPKJSJBEHC-NSHDSACASA-N 401.851 1.816 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1456283280 AGLDOGFTLANDKT-HOTGVXAUSA-N 423.510 1.326 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCc3ccc(S(C)(=O)=O)cc3)CC2)c1C#N 1459030060 HLZDWOSPFZZHDD-UHFFFAOYSA-N 415.519 1.285 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)CCc1cccc(C#N)c1 1460661830 GBPFVOAEGNDWDS-UHFFFAOYSA-N 402.476 1.327 30 10 HDEE C#CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@H]1CCS(=O)(=O)C1 1464388361 SPCYHKXHLAZSOW-INIZCTEOSA-N 414.487 1.805 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1468127435 BYIVAFRMMHQSJH-KURKYZTESA-N 403.504 1.801 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2nc(S(C)(=O)=O)n3ccccc23)C1 1469546110 PIIWCJDEHFUGGH-QGZVFWFLSA-N 423.498 1.960 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(C(F)(F)F)nc2)cc1 1470070657 HDXMVMKSUZXWME-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(O)n2)C1 1471857764 ZEBWWHXBCNDHCV-HZPDHXFCSA-N 417.510 1.882 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(-c4ccc(Cl)s4)on3)C2)c(=O)nc1O 1472369570 GABICKVOAOQMTL-UHFFFAOYSA-N 403.807 1.888 30 10 HDEE O=C(c1cccnc1N1CCOCC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472619133 XRQKFWWXSLBLPD-UHFFFAOYSA-N 410.430 1.436 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCN(S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)CC1 1473256261 WVDHCUPDMINYLW-CQSZACIVSA-N 414.480 1.107 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 1479333947 ADWVJQGNRVPSTH-MNOVXSKESA-N 409.468 1.488 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H](OC)C1CC1 1503108697 JZMBTHXWOJDQQX-GOSISDBHSA-N 411.510 1.833 30 10 HDEE CN(C)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1503389505 FJZUCHHAVJEOJP-GOSISDBHSA-N 411.510 1.103 30 10 HDEE CNC(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C[C@@H](C)C#N 1503812595 DHXSJZIQROKUBR-HNNXBMFYSA-N 411.514 1.184 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)c1 1504132165 QBOIFLZMUSHPGX-FQEVSTJZSA-N 424.505 1.953 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1F 1505274649 MLPHOAOYJJCBTH-PBHICJAKSA-N 421.498 1.672 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1507634272 YGFIMRRMVSCDPU-DLBZAZTESA-N 424.567 1.698 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507653570 OPSYMVGPOMRQDB-QGZVFWFLSA-N 424.505 1.110 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1507679876 SMBXZWGNCHTMTG-MSOLQXFVSA-N 424.615 1.716 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1507694055 IIAXCKONUAPKRN-UHFFFAOYSA-N 404.478 1.489 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCN1CCOCC1(C)C 1507710603 RKXGYUSDWBFDEI-UHFFFAOYSA-N 412.538 1.845 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@@H]1C 1507773724 VQBUGBCCWJLERF-CYJAXWMASA-N 407.540 1.259 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1507830118 VSISBWGCDPOQRE-INIZCTEOSA-N 409.498 1.046 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccn(C)n2)C1 1508111478 YRHNFRWZXFTJDG-KRWDZBQOSA-N 422.493 1.683 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H](C2CCOCC2)C1 1508149232 RGRVFLAAYQEJMG-KRWDZBQOSA-N 412.556 1.668 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1510305813 SRHIPSJIIFMRKZ-OPAMFIHVSA-N 421.505 1.433 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)[C@@H]1C 1512285141 FFOFVYSUEZOSIK-STXHMFSFSA-N 415.519 1.601 30 10 HDEE CCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1515656035 IUTQRURULFAVPN-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE CN(C)CCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1517028228 RMLWVXCJNWIGIH-SFHVURJKSA-N 423.521 1.657 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=O 1520755513 RVWZNNVGTSJWLC-ZDUSSCGKSA-N 410.471 1.019 30 10 HDEE C=CCOCC(=O)N1C[C@@H](C)OC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1522348624 DZCFMSAPNBCZRT-SGTQZHETSA-N 404.507 1.221 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(Cc3ccc(OC)cc3)c2C)n1 1524968270 NSGDOQLIONNHAE-UHFFFAOYSA-N 422.489 1.762 30 10 HDEE N#Cc1ccc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)s1 1529075823 HRTDDVAULBSGMP-UHFFFAOYSA-N 419.528 1.890 30 10 HDEE C[C@@H](C(=O)NCc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)n1cnc(C#N)n1 1533292142 KEGIMWTUTCWSFN-AWEZNQCLSA-N 404.430 1.558 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3ccc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1538308603 MDEQXTJLULCGCH-LRDDRELGSA-N 415.284 1.918 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1538973759 PZJNUQBGWDDKJN-KGLIPLIRSA-N 422.580 1.902 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1539119575 XDWVGRMTROXTTE-ZUZCIYMTSA-N 415.313 1.411 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1NC(=O)CC1(C)C 1539153801 AZDVQCVWROVMRN-MRXNPFEDSA-N 415.519 1.333 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1F 1539395837 JONLZKHZCUXIKQ-AWEZNQCLSA-N 409.487 1.162 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC)CC1 1539468286 CMGMKOJFRSPKAS-NRFANRHFSA-N 403.527 1.695 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)[C@@H](C)CC 1539538152 DPBGKRCRMBGUQA-IUVQAAGXSA-N 411.572 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCOCCS(C)(=O)=O 1539562968 FGQZVATZOLJGOK-HXUWFJFHSA-N 417.535 1.317 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539630234 DIZOJZPSXVPZJU-DODZYUBVSA-N 404.511 1.887 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1 1539952954 MQCQJINESGMFFZ-AWEZNQCLSA-N 410.544 1.056 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1539953258 PVNZZZXAZYAUSO-CABCVRRESA-N 412.560 1.207 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1539965951 CHEPNUHQMGHLRR-MRXNPFEDSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1540867251 PQSJULIASLQRQK-GOSISDBHSA-N 416.489 1.846 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1cccc(O)c1 1541917399 BODZMXREKRSEFI-AWEZNQCLSA-N 418.523 1.772 30 10 HDEE COc1cc(Cn2c(C(C)C)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1554755086 HIJUBOXHQIFSNH-INIZCTEOSA-N 401.467 1.558 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1555267280 SIBJZLYJAYHAEB-RDTXWAMCSA-N 400.458 1.858 30 10 HDEE COc1cccc(-c2nc(C)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)[nH]2)c1 1558511446 SMECGBRPBKKQAQ-LIRRHRJNSA-N 400.460 1.404 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)CC1 1562888099 YKPVFSZRGCTXDQ-UHFFFAOYSA-N 413.503 1.674 30 10 HDEE C=CCn1cc(CNC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)nn1 1564958478 WRDRYVKBNMUJLV-QGZVFWFLSA-N 405.480 1.151 30 10 HDEE COc1ccc([C@H](O)C2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)cc1 1569587776 GSZIBOXAIFXSJK-IBGZPJMESA-N 412.446 1.191 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C3CCOCC3)C3(CO)CCC3)CC2=O)cc1 1570798161 VJUBKXBFXDCUIX-RXVVDRJESA-N 411.502 1.985 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1586074445 VCJBDPXMWKKPOV-UHFFFAOYSA-N 402.451 1.884 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cccc(F)c1Cl 1586741324 XSTPOTWBSOXRQG-UHFFFAOYSA-N 409.826 1.517 30 10 HDEE CC1CC(C#N)(C(=O)N2CCN(c3ncc(I)cn3)CC2)C1 1586803758 BOJZBFDLYMZFBO-UHFFFAOYSA-N 411.247 1.670 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H]3[C@H](OC)CS(=O)(=O)[C@H]3C2)cc1OC 1587563844 FYGCQFIZDGELHE-KJKYGASOSA-N 407.488 1.544 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1588012028 SKOSVNLGXUGYII-GOSISDBHSA-N 423.496 1.692 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1588049800 LIDUFYBPMRZVKG-INIZCTEOSA-N 410.503 1.652 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1)C(=O)OCC 1588121163 BZRGMJKBRSTHNH-LBPRGKRZSA-N 404.872 1.868 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCNS(C)(=O)=O 1588162035 GUIYJEBOTWOKGO-UHFFFAOYSA-N 415.519 1.096 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCO[C@H]2CCOC2)CC1 1588806643 YCZMVMXBVWOWNM-IBGZPJMESA-N 410.522 1.599 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1589060788 YTYCBDRQFSSMKG-HZPDHXFCSA-N 416.551 1.187 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1593768296 CSCVKCXYMRVKFI-UZLBHIALSA-N 407.515 1.190 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 1594228872 BWUCARUCJFVQJH-UHFFFAOYSA-N 422.436 1.790 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C)[C@H]1C 1595537160 MSHNEFBIGYSZEA-CHWSQXEVSA-N 418.523 1.638 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1595871108 GHGLVWWBGHBLTH-HXUWFJFHSA-N 415.567 1.955 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(C)COCCO2)CCOC1 1610337531 SXSDFKSDICQGLJ-LSTHTHJFSA-N 407.515 1.863 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1611767035 GFUSFMBEDNABLI-IERDGZPVSA-N 407.478 1.506 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 1613569190 CDGNRTKLUPVHIL-HXUWFJFHSA-N 418.542 1.868 30 10 HDEE C[C@@H]1CCC[C@@H](C)N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781272 RNLMHGDSSOWHCJ-ZIAGYGMSSA-N 404.467 1.013 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC#N 1617370059 REFGBIOOAPKLTK-OAHLLOKOSA-N 415.523 1.885 30 10 HDEE CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1F 1617667194 STVYUWOBEYRXJI-MRXNPFEDSA-N 410.457 1.661 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1620643302 CHBCRXOANWKEII-ZFWWWQNUSA-N 404.492 1.192 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)OC)cc1 1622729810 QDZFYVAZXUHDNS-UHFFFAOYSA-N 411.480 1.677 30 10 HDEE N#CC1(CC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCCC1 1625566746 GEDXNLQWAWCIOI-UHFFFAOYSA-N 410.462 1.828 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 1626353905 IGJMUQGRSHNCHG-SJORKVTESA-N 421.542 1.514 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1Cc2ccc(C#N)cc2C1 1627600253 GZPHFAUKFBCIPU-INIZCTEOSA-N 407.492 1.728 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1628900533 IPJJSNITIKLLJW-SFHVURJKSA-N 417.506 1.896 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnn4)CC3)CC2=O)cc1Cl 1630270703 AXQXAHZIYAEDRZ-AWEZNQCLSA-N 411.853 1.098 30 10 HDEE C=CCn1c(SCC(=O)N[C@H](CO)C(=O)OCC)nnc1-c1ccc(Cl)cc1 1630875618 WRNMZRROBGLFDU-CQSZACIVSA-N 424.910 1.917 30 10 HDEE C#CCN(CC(=O)Nc1cccc(OCCS(C)(=O)=O)c1)C(=O)OC(C)(C)C 1631739385 HZNYVWMUZYKVQW-UHFFFAOYSA-N 410.492 1.919 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O 1633731313 JLRSVKJPMGLDAX-GUYCJALGSA-N 410.517 1.657 30 10 HDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1)[C@H]1CCCO1 1634531472 UXCGQXLCWIMXFL-HUUCEWRRSA-N 412.533 1.052 30 10 HDEE C[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(C)(=O)=O)cc1 1635905733 JXVXCRXKJMZGPN-HVCBDAARSA-N 405.476 1.226 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1637079007 RRVCGSCIFZAIPA-QLFBSQMISA-N 401.529 1.998 30 10 HDEE CS(=O)(=O)C1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1638048071 FTLYGKDEMOWRDV-UHFFFAOYSA-N 403.420 1.241 30 10 HDEE CCn1nnc(C)c1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1640042499 JARPGFZBFGPQRJ-UHFFFAOYSA-N 418.523 1.522 30 10 HDEE C[C@H](CC(=O)N1CCC2(CC1)C[C@H](O)CCO2)/N=C1/NS(=O)(=O)c2ccccc21 1645200912 CWPDUFCGVXCCEX-HUUCEWRRSA-N 421.519 1.036 30 10 HDEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1645874534 HOKBQMYVQSYFCV-HNNXBMFYSA-N 415.519 1.601 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 1659367846 RNTWIUKEFPVTBA-OAHLLOKOSA-N 420.535 1.640 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1665224681 KATGTZNWWZARLB-UHFFFAOYSA-N 406.508 1.752 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCO1 1682028780 VVUNXTCMBGUGEW-INIZCTEOSA-N 400.888 1.332 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1682991979 LGFBKDQHDFIRCQ-ROUUACIJSA-N 400.479 1.961 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 1684035667 KZWBYXXFGLCYES-HOJAQTOUSA-N 404.555 1.437 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684616668 OTLDNBJNNUDIMO-CRAIPNDOSA-N 422.489 1.155 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CC1 1690117515 KCCIGTUEQLVREZ-OAHLLOKOSA-N 416.888 1.771 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690328019 COWLNCKMICSYRY-DVOMOZLQSA-N 419.935 1.025 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(N)=O)CC1 1690503655 JUTWTPFEADGUDZ-UHFFFAOYSA-N 413.478 1.968 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)C[C@@H]1CCOC1 1690674041 MVFAFTWHGPBTKO-INIZCTEOSA-N 409.494 1.292 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(C)C 1692554241 GQOZJARZDLKTBU-UHFFFAOYSA-N 411.510 1.646 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1698491591 GYZJJXCCQIGNRT-SJORKVTESA-N 407.540 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnnn1CC1CC1 1705485517 KLBBRGWKDXFDLT-CQSZACIVSA-N 422.493 1.865 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1705535271 HCSSJNVPSPOLHR-UHFFFAOYSA-N 410.526 1.207 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](C1CC1)N(C)C 1705551980 HCLHGJJKXOLOEY-IBGZPJMESA-N 408.554 1.862 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCn1cc([C@@H]2CCOC2)cn1 1705626099 IZEYZAZPTMQMKT-QGZVFWFLSA-N 409.494 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705629084 WUMMOZQFZJMJIX-CEXWTWQISA-N 419.570 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2([S@](C)=O)CC2)CC1 1705648527 YMORLXYYKYDICI-NDEPHWFRSA-N 403.552 1.423 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)CC1 1705707366 JXORVUMCRDYWST-JFRXWTBNSA-N 419.526 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(NC(=O)C2CC2)CC1 1705900741 NXZDFWPQEXXIMR-UHFFFAOYSA-N 423.521 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](CC)C1 1705909361 UXTMAYCQMAIBEF-ZOBUZTSGSA-N 409.556 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCCCC2)C1 1705929619 UIOOFIOUKTTZEI-KRWDZBQOSA-N 403.527 1.877 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705948571 XOOPGJQVJPOHBV-JKSUJKDBSA-N 409.556 1.560 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)no1 1707295802 CVHGVWMXPMQBBO-RDTXWAMCSA-N 404.496 1.655 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1707716139 BHAWFYHYMLQEAA-CABCVRRESA-N 405.480 1.167 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1709943035 MRFZJUGJVMMEHX-IRXDYDNUSA-N 421.498 1.815 30 10 HDEE COc1ccncc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1712028386 YVBLCTHSKJYZLN-MRXNPFEDSA-N 411.491 1.815 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@@H]2CO)CC1 1712882543 IHPJDTIAUIGEDL-GOSISDBHSA-N 410.526 1.712 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1722315429 ZZDAKUXUUXTZRF-UHFFFAOYSA-N 403.441 1.975 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1722350803 DSILSWDDXYKXLL-QGZVFWFLSA-N 418.519 1.589 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1722351974 MMMNRQRGNFOLSO-AWEZNQCLSA-N 419.576 1.828 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1722381950 CDQSXVOIGUPMLB-SFHVURJKSA-N 407.474 1.157 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O 1722473018 MUBFAQQVOCYSIY-LJQANCHMSA-N 423.489 1.688 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1722529598 XFEZDBIUJMSLLU-UHFFFAOYSA-N 419.551 1.831 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCOCC1 1722672051 IVYLNPIZRKIQRQ-SJORKVTESA-N 409.556 1.079 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 1722679658 IGKBZVFUKSWAJX-UHFFFAOYSA-N 414.558 1.400 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 1722718496 KVJMARQLKVJGNK-IRXDYDNUSA-N 420.539 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CC=CCC1 1722725517 PQGOGXXZHZSGEB-MRXNPFEDSA-N 409.556 1.810 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](OCCOC)C2)nnc1C(C)(C)C 1722731481 LXTCFTCYGBBTNX-MRXNPFEDSA-N 414.572 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1722731726 PUSRJMAXGNWOBN-FRQCXROJSA-N 410.540 1.520 30 10 HDEE CCc1nnc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)s1 1727492511 VCTMLTSNOCAKRL-QITLCBANSA-N 421.502 1.906 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1729666825 YJTYRJCCLKMSRS-HTAPYJJXSA-N 421.505 1.257 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCCN(C(C)=O)CC1 1730483831 HFJJQLWUHPZUFP-SFHVURJKSA-N 400.458 1.860 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC(=O)NCC(F)(F)F 1730840058 JCQUAXGMKAXCNU-XHDPSFHLSA-N 422.383 1.123 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1740553074 YXCMSVUUIXZPKT-CYBMUJFWSA-N 416.482 1.988 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1740628518 QVWKQNUZZDAPPP-QZTJIDSGSA-N 423.583 1.488 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCOC1=O 1740643211 CULKBLFSEABTJE-UHFFFAOYSA-N 411.437 1.911 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NCCc1ccccc1 1740660792 CXGJDQLOGQUAOX-UHFFFAOYSA-N 408.506 1.333 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)CC1 1740700947 OIRBNGSQCDHCAB-HXUWFJFHSA-N 422.533 1.244 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1740735910 AQDKJAKDWUEMHE-ZIAGYGMSSA-N 411.348 1.998 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740791625 NJJMZLJZXKJLCW-IAGOWNOFSA-N 401.467 1.293 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740939793 HXRLJEHXBMEERP-FQEVSTJZSA-N 420.535 1.442 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(C)C)C1 1740993081 SLMRIZSVDMJFES-SFHVURJKSA-N 419.551 1.726 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1740995092 ZMMXDXQGMXWKEA-HUUCEWRRSA-N 407.540 1.236 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1740995202 DFHPTAYLBRFPAR-MRXNPFEDSA-N 406.556 1.538 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1741142331 LEVNRJFZGSFVFJ-STQMWFEESA-N 417.495 1.449 30 10 HDEE CC1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CC1 1743122992 BUWNSHFOKLTIHY-QINHECLXSA-N 403.506 1.792 30 10 HDEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1748761763 AUUMLESWGNCYDJ-NNMXDRDESA-N 417.554 1.501 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1748812055 PBERFMBWKSCCEC-MRXNPFEDSA-N 418.523 1.179 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1748918631 LWIXUXYUHOAENU-UHFFFAOYSA-N 411.506 1.980 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1748986934 MTYHRYPOACUCRU-QFIPXVFZSA-N 421.505 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cc(C)cc(C)c2)CC1 1748989696 BESKRFFFPOEYOO-FQEVSTJZSA-N 422.533 1.680 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(C)(C)O)CC1 1748999087 HYCODPZXMXTVQV-UHFFFAOYSA-N 401.486 1.912 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749032942 VRQWNFKAXRJOJH-QGZVFWFLSA-N 412.523 1.147 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749126646 FJZDEPZQNBEECC-UXLLHSPISA-N 405.524 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749128479 WPCDGOMETDJTQO-OIISXLGYSA-N 420.539 1.283 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749642445 GHLISZBSEYKNLW-MRXNPFEDSA-N 414.441 1.655 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)C[C@H]1C 1749659003 QZUGCTFSCBEDAG-CQSZACIVSA-N 408.462 1.660 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1749707070 ACWOXLJXKPXANF-BBWFWOEESA-N 410.540 1.736 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1760119579 AXZVNYVYZNNOQQ-OAHLLOKOSA-N 400.508 1.409 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@]2(C)COCCO2)CC1 1760270188 UDZFWZKVPJDWLP-NRFANRHFSA-N 401.511 1.317 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760450375 JXMGPUZMJTYUFD-IBGZPJMESA-N 416.570 1.881 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@H](C)[C@H]1C 1760514490 HFFYLQWVNWEZEB-ZIAGYGMSSA-N 415.523 1.558 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1760521697 BCNVNJXIRJSLAY-KRWDZBQOSA-N 416.551 1.468 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1760552138 DDQTXGQNUGNHGP-CQSZACIVSA-N 421.498 1.352 30 10 HDEE CC(C)Cc1nnc(N2CCCO[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761032126 PXDXOPNUSZXDKS-MJWGMMHASA-N 402.499 1.618 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)C1 1761129224 BLPDYHHYSQWCLZ-ZWKOTPCHSA-N 417.558 1.609 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(C)COC1 1768902666 BYPQCCPENMGKTI-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)c3nccc(N4CCOCC4)n3)CC2)c1 1849285276 JQFWNSXATVJLTP-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE Cc1cccc(N(C(=O)CN2CCNS2(=O)=O)c2nccc(N(C)C)c2C#N)c1 1851660799 FEESEIMMEDMQDW-UHFFFAOYSA-N 414.491 1.142 30 10 HDEE N#Cc1ccc(N2C[C@H](OCCCS(=O)(=O)NCc3ccc(F)cc3)CO2)nc1 1851827266 FZSFVIIYHWLVPG-SFHVURJKSA-N 420.466 1.739 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CC(=O)N(C2CCOCC2)C1)c1ccccc1 1851855186 HZBHPBXSWODLNU-HNNXBMFYSA-N 402.520 1.922 30 10 HDEE N#Cc1c(-c2ccc(Br)cc2)cnnc1NC(=O)[C@@H]1CN2CCN1CC2 1852658367 HJATWBHYAKHXDS-INIZCTEOSA-N 413.279 1.716 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2cccc(F)c2)C1 1853304206 XZQOLDPQMDJJLL-ZDUSSCGKSA-N 401.419 1.440 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@@H](F)C2CCCC2)C1=O 1854283921 QEZSGZLYRVEKAF-ROUUACIJSA-N 414.485 1.515 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3ncccn3)C2=O)CC1 1854763795 POYXMSWIZTUSBI-KRWDZBQOSA-N 405.462 1.087 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCCN(C(=O)[C@@H]3COCCO3)C2=O)CC1 1854824796 NJTUDMSVNUJIIV-MOPGFXCFSA-N 412.490 1.456 30 10 HDEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)c1 1855734334 MOMFBLXESANYGL-INIZCTEOSA-N 411.483 1.857 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3cccnc3O[C@@H]3CCOC3)C2)CC1 1856148915 BWYRGMNHECZIQO-ZWKOTPCHSA-N 412.490 1.864 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CCN(C(=O)C4CC4)CC3)CC2=O)cc1 1856210456 WYUUXIVERWRZDR-IBGZPJMESA-N 408.502 1.420 30 10 HDEE Cc1cccc(CC(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c1 1856390421 AAEFAZIPKHUCHI-SFHVURJKSA-N 404.470 1.943 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCOC[C@@H]3c3cccnc3)CC2=O)cc1 1856872511 UHNSDAPDZBWWRA-PZJWPPBQSA-N 404.470 1.944 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857042139 SEYFMJRCRCUZBV-WBVHZDCISA-N 419.503 1.394 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@H](C)C1=O 1857110199 SZOHDLDPIMAIJH-CQSZACIVSA-N 408.476 1.562 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(C)on3)C3(CCCCC3)C2=O)CC1=O 1857121924 AXMFIUVHOBVUIL-QGZVFWFLSA-N 414.506 1.891 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCCC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857241865 UMUHDRWLKFEAFO-ROUUACIJSA-N 404.511 1.998 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@@H](Oc4ncccn4)C3)C2=O)cc1C#N 1857439645 RIOCFYURAYHWNA-RTBURBONSA-N 405.458 1.941 30 10 HDEE C=CCn1cc(OCC(=O)N[C@@H](C)CC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870525916 PMENGYACUAEHSN-KRWDZBQOSA-N 419.522 1.667 30 10 HDEE C#CCOc1cn(CCc2c[nH]c3ccccc23)c(CN(CCO)CCO)cc1=O 1870560769 LBOHNAAGLXPEDD-UHFFFAOYSA-N 409.486 1.371 30 10 HDEE COC(=O)c1ccc(CN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1872724868 WHPAHAFHEPXTNG-UHFFFAOYSA-N 414.487 1.652 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(C(C)=O)CC3)ncnc2n1Cc1ccco1 1873598043 NZBBXVJJFFWNRK-UHFFFAOYSA-N 408.462 1.657 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1O 1874435563 MYGFTMGENZHNHS-AWQFTUOYSA-N 421.479 1.556 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCC(C(N)=O)CC1)n2CCCOC 1875221246 GTJNSCFFOQXGTA-UHFFFAOYSA-N 400.483 1.403 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)CCc3ccccc3)CC2)CC1 1889598227 MITSBDQIHRHAEP-UHFFFAOYSA-N 419.591 1.291 30 10 HDEE O=S(=O)(NCC#CCN1CCOCC1)c1ccc(Br)cc1Cl 1890098300 CASVLJBDJXHZER-UHFFFAOYSA-N 407.717 1.716 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H]1C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908253893 CEYGFAPCECJQEK-AJNGGQMLSA-N 422.331 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H](CNC(=O)C#CBr)C(F)F)CC1 2017408791 RSYUADKSFBEKSJ-NSHDSACASA-N 410.259 1.645 30 10 HDEE C=CCC1(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCNCC1 2108226848 AWWPMMNQCIPRLC-IBGZPJMESA-N 423.510 1.629 30 10 HDEE C#CCO[C@@H]1CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108232597 ZJLZVSMWJVGLMN-FOIQADDNSA-N 422.478 1.455 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)c1ccc(C#N)nc1)NC(=O)OC(C)(C)C 2118168653 UADAGVFVVOGBMP-FTJNGKRUSA-N 402.498 1.653 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(C#N)s2)CC[C@@H]1CO 2122384546 FZYJJYIELQFKOX-YPMHNXCESA-N 401.510 1.516 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2139216394 NXXOVUSAFGWMKQ-QGZVFWFLSA-N 417.531 1.470 30 10 HDEE C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174785889 DDYROHPJSYDELC-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br 2237187393 PXQHNMRVOCPOGU-VIFPVBQESA-N 424.114 1.817 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN2C(=O)OC(C)(C)C)n1 2243424907 ZPMHVPKZXJUNIO-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE CN1CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@@H](CNC(=O)C(F)(F)F)C1 2247937501 MSIUWAONHJRTDE-YNEHKIRRSA-N 419.253 1.290 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248405188 RYJONSYDWILUBD-ZDUSSCGKSA-N 421.303 1.859 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248415510 BGWHMLOYOLVMDV-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2258140397 CBRDKGLHVAPUMS-IRXDYDNUSA-N 408.476 1.176 30 10 HDEE C#CCN(CC(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258183255 QBCXNPKBEGAYNF-QGZVFWFLSA-N 410.492 1.375 30 10 HDEE C[C@@H](CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2281793389 RLKOAZIMYCCVFK-NSHDSACASA-N 401.721 1.802 30 10 HDEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281963283 JXXUBPIISPTVNY-ONGXEEELSA-N 419.761 1.864 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC2CCC3(CC2)OCCO3)n1 2282006179 UDCUBJXKUYMSJG-UHFFFAOYSA-N 405.304 1.618 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(N(C)C)C1 2282310487 UVUWHMQRTMGFTH-UHFFFAOYSA-N 400.375 1.727 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H]1CCC[C@H]1O 2282313026 FGFSNZGYYLUTQM-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329026 GZDNSHINMQIPFU-OLZOCXBDSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2CCC[C@H]2O)OC1(C)C 2282334444 BHWAJXADGONVSN-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(C)COCCO3)s2)OC1(C)C 2282342414 HIMJOXHQUKPKPN-INIZCTEOSA-N 403.331 1.131 30 10 HDEE CN1CCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282499507 DAQYKMNBJDFYQE-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE C[C@@H]1CNCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282507929 OBSSXIUAYBVOLK-CYBMUJFWSA-N 400.375 1.418 30 10 HDEE CO[C@H]1CC(=O)N(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282826723 SXANEWYDVTXJDJ-NSHDSACASA-N 401.315 1.292 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C(C)(C)C2(F)F)OC1(C)C 2282830281 RGBNHUUGOWYZAN-LLVKDONJSA-N 408.301 1.905 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNCCSC1 2282831380 JNLGWTQACVWVDP-LBPRGKRZSA-N 418.415 1.339 30 10 HDEE CN1CC(N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282838030 IXALOXPEQAQIMH-UHFFFAOYSA-N 400.737 1.574 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC2CC2)C(=O)O)OC1(C)C 2284401244 GDZVIRIHYHANEY-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C(=O)O 2284403212 ODXCQGVKAZWVMH-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NCc1c(Br)c(Br)nn1C 2316988909 GUMZWTZTUHLXII-ZCFIWIBFSA-N 400.096 1.524 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(O)c1 2329035355 YFEHOCVDGMTAEI-CQSZACIVSA-N 417.491 1.855 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)[C@H]2CCS2(=O)=O)OC1(C)C 2343821116 NJNJLODRYTYTPB-LLVKDONJSA-N 405.734 1.504 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367787883 MHLVOMWVLBDFCK-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)[C@@H]1C(C)(C)C 2367808700 FVURBGFUIJSNLB-TYILLQQXSA-N 400.541 1.291 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CCC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367819907 ZEEXMNGDBQSQQL-STJZUHDESA-N 400.541 1.483 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C)CN(S(=O)(=O)N2CC[C@@H](C#N)C2)CC1(F)F 2379734633 AALYPGBYKLSKHF-WFASDCNBSA-N 408.471 1.559 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 48586030 CLCZSXJLTPXHDF-UHFFFAOYSA-N 401.488 1.791 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)NCCc3ccc(F)cc3)n[nH]2)cn1 59310890 IIXSBPCEMXMSSF-DNTJNYDQSA-N 402.459 1.574 30 10 HDEE COc1cc(/C=N/Nc2nc(S[C@@H](C)C(=O)NC3CC3)n[nH]2)c([N+](=O)[O-])cc1O 59820601 GFVZYBWGEOUADU-TXQWPAICSA-N 421.439 1.632 30 10 HDEE COc1cc(/C=N/Nc2nc(SCCC(=O)N(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59820632 NCMOEWIXYZYNMB-LZYBPNLTSA-N 409.428 1.444 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)cc1 238927556 UTQQRMPDJAGDQV-INIZCTEOSA-N 400.460 1.497 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C(C)C 382909600 AMEZNAKXKJEWGP-LBPRGKRZSA-N 407.229 1.926 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@]4(CCO[C@@H](C)C4)C3)CC2)o1 430256616 JJJOFXONSJVVPC-CKJXQJPGSA-N 417.510 1.162 30 10 HDEE CCOC(=O)CC1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCC1 434618961 ZBRJOKGXBCSIFQ-UHFFFAOYSA-N 403.483 1.359 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)CC2)n1 436982432 GXYGXIZGDNQFSZ-SFHVURJKSA-N 405.458 1.612 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460368088 DTKUBGKBTTVGLR-HOCLYGCPSA-N 407.482 1.587 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cccc(N2CCN(C)CC2)n1 461730203 SOPHEYBMSCKHSO-UHFFFAOYSA-N 402.462 1.847 30 10 HDEE Cc1noc(C2CCC(NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2)n1 465283847 HSCOYPOXLNPWOP-IUDNXUCKSA-N 410.482 1.986 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cn(C)nc1-c1ccc(C#N)cc1 490356827 YTXHWZIOQDTMQQ-NCXUSEDFSA-N 408.458 1.884 30 10 HDEE CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCN1CC(F)F 498803628 JHITZONSCXFTEH-OAHLLOKOSA-N 414.478 1.598 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 508474650 VUKUFFHZBJNKAF-UHFFFAOYSA-N 407.478 1.663 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508850726 WEZYLKOIILHBNT-LJQANCHMSA-N 410.522 1.741 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1nnc2n1CCCCC2 515750141 DNUDXAJMRUUYML-AWEZNQCLSA-N 401.492 1.668 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccn2)c(=O)n1CCc1ccccn1 523180398 NSQDMHNQHVPQSU-UHFFFAOYSA-N 416.506 1.815 30 10 HDEE COc1ccc([N+](=O)[O-])c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 525707214 VOXOQKOQHLCDAP-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ccn(-c4ccc(Cl)cc4C#N)n3)cnc21 542051098 ICOSEXIUKHZCEE-UHFFFAOYSA-N 408.809 1.479 30 10 HDEE Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 544207264 YTEZIZDTKOKZFD-ZDUSSCGKSA-N 401.492 1.535 30 10 HDEE C=CCn1c(Cc2noc(-c3cc(-c4ccoc4)[nH]n3)n2)nnc1N1CCOCC1 544245103 XQGMCHISXPGIDX-UHFFFAOYSA-N 408.422 1.925 30 10 HDEE Cc1cc(C(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)nn1-c1cccc(C#N)c1 552716668 BYFCWJIJPUQONL-KRWDZBQOSA-N 401.492 1.596 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC)CC1 555016944 UJQAUHALJPZGEW-UHFFFAOYSA-N 422.331 1.480 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 565508437 JXEGSAFPWIXXQP-GOSISDBHSA-N 409.494 1.522 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@@H]43)C2=O)nc1 581688399 ZSGDUFBDBCZVTG-YXTCSXCUSA-N 414.487 1.474 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1ccc(S(C)(=O)=O)cc1 603803121 FQXXWRBQLDQLII-HNNXBMFYSA-N 413.503 1.950 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)c1 609230065 PUNKOODFFRCOCE-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)cc2F)cc1OC 609231071 KAFUXAPROCCEHN-UHFFFAOYSA-N 421.450 1.699 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H]4CN(C)C[C@@H]43)nnc12 646911595 BXKHOSSIBCNZQA-YOEHRIQHSA-N 424.530 1.485 30 10 HDEE C#CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 729331187 KKGKJLWDCKPHHG-CJNGLKHVSA-N 412.508 1.535 30 10 HDEE C#CCN(C(=O)c1cc(C)ccc1I)[C@@H]1CCS(=O)(=O)C1 729332974 GBPHCZBMRFTUTL-GFCCVEGCSA-N 417.268 1.862 30 10 HDEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)C2=O 732664308 MXNGCIFNMWYATI-YSJWXEPDSA-N 415.538 1.712 30 10 HDEE COCCN(CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C)C(=O)OC(C)(C)C 734291396 HSFOQRMHNAJOBA-UHFFFAOYSA-N 411.480 1.555 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@@H](C)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc12 742073556 AULPTAUOGGFISU-GXTWGEPZSA-N 400.508 1.260 30 10 HDEE C=C[C@H](C)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 757011496 APMDCNJHSUBWEV-NSHDSACASA-N 403.298 1.774 30 10 HDEE O=C(O)CN(CCO)C(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757470333 GFFXEFQLTCIYMJ-UHFFFAOYSA-N 422.437 1.434 30 10 HDEE COc1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1S(=O)(=O)N(C)C 757912815 JRPBLDUSACAPPZ-OAHLLOKOSA-N 407.496 1.150 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758586426 UEEONZBVCGDHJI-UHFFFAOYSA-N 408.527 1.797 30 10 HDEE N#C[C@H](C(=O)CN1CCOC[C@H]1C[C@@H](O)c1ccco1)c1nc(O)c2ccccc2n1 763668263 YLLLXPSGXQDDDN-QGPMSJSTSA-N 422.441 1.929 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 770895893 XZRQJCBOECHLHY-ZFWWWQNUSA-N 423.491 1.781 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 772164359 KRNFXHXTPNUSDC-UHFFFAOYSA-N 412.446 1.782 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 772378833 QEBYXZJBROBKJX-FUHWJXTLSA-N 420.473 1.936 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C 774922810 NPEGLULRPSNUOJ-GFCCVEGCSA-N 414.443 1.021 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C#N)CC(C)C)c(NS(=O)(=O)C(F)F)c1 776088335 HPPONVCSALDKLB-SNVBAGLBSA-N 411.452 1.876 30 10 HDEE C=CCc1ccc(OCC(=O)NS(=O)(=O)c2ccc(C(=O)NC)cc2)c(OC)c1 777343258 PYOQKVQKOUFTGM-UHFFFAOYSA-N 418.471 1.667 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2F)c(=O)n1C[C@@H]1CCCO1 777941302 PELJYQLAZWLLSD-AWEZNQCLSA-N 400.391 1.163 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 780920513 JWBGBOFBZROQCE-HXUWFJFHSA-N 413.499 1.809 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc3nc(CCN4CCOCC4)[nH]c3c2)cc1 780922342 ZMWAKZFYYVZELA-OAQYLSRUSA-N 405.458 1.981 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CCC(=O)N1CCOc2ccccc21 781603411 YYICYSGEZGAESV-UHFFFAOYSA-N 417.418 1.708 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 786294274 RZECZGGEUZERBA-AWEZNQCLSA-N 417.510 1.631 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC3(C#N)CCCC3)ccc2F)CC1 800803802 VYEKZYNURBDUQX-UHFFFAOYSA-N 422.482 1.245 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCc2nccnc2C)C1=O 814707910 ZVVNAKSPAHYXCR-QGZVFWFLSA-N 408.487 1.967 30 10 HDEE Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCN(O)C2=O)c1 820178960 CFVQJKRRADCHEO-KRWDZBQOSA-N 403.460 1.824 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(OCC(=O)OC)c2)cc1 914782247 FUIPNONQQHHAPU-UHFFFAOYSA-N 402.428 1.402 30 10 HDEE CN(CC(=O)NC(C)(C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 916693154 LMAGWJYZGMMMNL-JWGURIENSA-N 423.539 1.878 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 921245526 DDOVJSHTMHUKHM-OAHLLOKOSA-N 402.476 1.195 30 10 HDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NC(C)(C)C)n2N)cc1 1084497023 HOMHNGGWKXSZEM-UHFFFAOYSA-N 405.484 1.231 30 10 HDEE CC(C)c1nc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 1115940256 CNUXJVCZSMLLFV-UHFFFAOYSA-N 402.480 1.839 30 10 HDEE Cn1c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnc1C1CCC1 1116623542 LNTGDMQBCJETHK-MRXNPFEDSA-N 421.461 1.476 30 10 HDEE C=CCc1cc(C(=O)N(CCN2CCOCC2)CC(=O)OC)cc(OC)c1OC 1126303426 GFWIJISLGCNDIH-UHFFFAOYSA-N 406.479 1.380 30 10 HDEE COC(=O)[C@@]1(F)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1137274925 IVRVHEJIMYSLDZ-QGZVFWFLSA-N 410.243 1.871 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCS(=O)(=O)CC1 1143781637 RADBGJRWNVUFBJ-OAHLLOKOSA-N 403.545 1.083 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN4C(=O)N(CC)C(=O)[C@@H]4C3)n[nH]2)c1C 1149233412 MWJACSSHYPXAOO-INIZCTEOSA-N 411.466 1.185 30 10 HDEE C#CCOCCN(C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1160097537 LBDMPYJWXJWNAK-GOSISDBHSA-N 422.279 1.324 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1161286389 XQJSRJKWHCPDDV-JYJNAYRXSA-N 416.540 1.651 30 10 HDEE N#Cc1cncnc1N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1162741373 BNTGSUTXLPHMMH-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE CC(C)c1n[nH]c(CC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1164361877 FBGBVUURDXGEIJ-ZZEZOPTASA-N 400.483 1.626 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1167952495 NASFDCGIGLSXHG-DOTOQJQBSA-N 406.504 1.100 30 10 HDEE CC(C)N(CCCNC(=O)CNC1(c2ccc(C#N)cc2)CCC1)S(C)(=O)=O 1195557507 GHPFAXDLZUAROY-UHFFFAOYSA-N 406.552 1.703 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196703756 GXGAHXGMFXBTNB-KRWDZBQOSA-N 415.899 1.862 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1198203046 VCQHGOXEQABAGH-LJQANCHMSA-N 415.515 1.825 30 10 HDEE C#CC1(O)CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)C1 1198449100 FCIMCQNQDZCFRG-UHFFFAOYSA-N 413.499 1.126 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@H]2CCOC2)cn1 1286304907 YOUPDULDBGVPQG-MJGOQNOKSA-N 422.537 1.998 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](OC)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1286393394 KRIARXDSMCEAEC-ROUUACIJSA-N 420.510 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@@H]1OC 1286398852 RCIFBFOOFIXWBJ-WMZOPIPTSA-N 401.511 1.321 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1286433027 HUZYCIPMWYOXDP-UHFFFAOYSA-N 404.478 1.603 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1286536647 REWSSOCCMXXJRQ-BLLLJJGKSA-N 411.348 1.484 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286537463 CTBMOFVHTHBGHS-NEPJUHHUSA-N 411.304 1.100 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)CC1 1286660660 OWSWMJMYIVNVHP-MRXNPFEDSA-N 409.556 1.847 30 10 HDEE CO[C@H]1COCC[C@H]1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1290116246 UICVRALITZOOAE-YOEHRIQHSA-N 400.435 1.896 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1291597664 UJXJOYGRGVHDLX-NEWSRXKRSA-N 408.520 1.741 30 10 HDEE COc1ccnc(N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1292470558 SPTRKQNGQIMVDX-HNNXBMFYSA-N 418.498 1.721 30 10 HDEE CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)n1Cc1ccc(C#N)o1 1292892610 IUUKLUPMLSSOQL-LSDHHAIUSA-N 400.483 1.721 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1300357836 YZFXEADGHNMDHL-IRXDYDNUSA-N 400.527 1.918 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1300382473 VQUGHTOROKWXPL-KRWDZBQOSA-N 400.527 1.669 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccs1 1300574856 NFYFHFJLTHBARO-UHFFFAOYSA-N 407.503 1.633 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1300631181 MWSFPYGLYFQZEH-RTBURBONSA-N 415.563 1.943 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1301162871 DUIOLTWMJJSRGW-QGZVFWFLSA-N 404.559 1.990 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1301295877 BPEBAAKKBQVTSK-INIZCTEOSA-N 409.512 1.491 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CC1 1301397122 NOUWBKXJSSCGRQ-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(C(=O)OC(C)(C)C)CCC2)c1 1301441368 RDYPQWCPCJRQKP-UHFFFAOYSA-N 406.504 1.840 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1301519010 LNILYPVMGUDYQE-KRWDZBQOSA-N 422.533 1.752 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)Cc3cncs3)ccc2c1=O 1301776447 UUSSVUWYHDPEGB-GFCCVEGCSA-N 402.501 1.661 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1301952197 HYZCTYXEEQXTPV-CQSZACIVSA-N 415.464 1.994 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 1302423741 FQTJSTSKYCYQEQ-IBGZPJMESA-N 419.459 1.697 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1303469357 FBTMNTQFNVWBNY-LJQANCHMSA-N 417.539 1.798 30 10 HDEE CC(C)N(C)CCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1303835883 FXVOWDFEMCKAIY-WMLDXEAASA-N 415.539 1.061 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1303901673 XLXIKZUQUADQMC-OAHLLOKOSA-N 416.507 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(CC#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1304358009 CDNDXNQJHCXBRY-SJORKVTESA-N 419.503 1.611 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)NC1CCN(c3ccccc3C#N)CC1)CC2 1312240866 HRZNARUKNNFOPK-QGZVFWFLSA-N 409.494 1.579 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1)[C@@H]1CCS(=O)(=O)C1 1313180268 ZHLACUGGRIPUDU-UXHICEINSA-N 419.547 1.028 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1320349794 FONTZTVWITZLKY-GOSISDBHSA-N 407.536 1.105 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCC2CS(=O)(=O)C2)CC1 1320632708 FJZDQKSRYSQZHA-UHFFFAOYSA-N 418.475 1.574 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1(NC(=O)OCc2ccccc2)CC1 1352234480 DYASYEUZSBAAQT-UHFFFAOYSA-N 410.434 1.515 30 10 HDEE Cc1nn(-c2ccccn2)c(C)c1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1354427314 GJQCTMWKEGAOIW-UHFFFAOYSA-N 406.450 1.497 30 10 HDEE C=C[C@@H](CC)CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1355871913 XVMAPTZDTGHUKU-ZFWWWQNUSA-N 400.522 1.693 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)c1C 1357272137 AATITPPKIWHKKZ-HNNXBMFYSA-N 408.462 1.726 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1358915236 XAZOSAWPAYYTEJ-UHFFFAOYSA-N 421.549 1.468 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnnn1CC1CC1 1359003155 AGRDUELVHHNSKT-UHFFFAOYSA-N 407.438 1.758 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1359126263 KPIVJLATRCUZIF-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1359150527 AKQWZJBDYYPIOO-XIKOKIGWSA-N 408.890 1.349 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359198652 WOEOCSRDAAOBLD-XHSDSOJGSA-N 424.571 1.492 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1359270352 LZPVBRDMSRSVQE-INIZCTEOSA-N 422.489 1.786 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1 1359272199 NINOSSOHKONBAR-GOSISDBHSA-N 421.567 1.617 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC(CO)CC1 1359304852 LLZHOQFLXPWZTQ-UHFFFAOYSA-N 415.494 1.377 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)SC)C1 1359314302 YUASZIZOSILLBK-MELADBBJSA-N 403.574 1.421 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1359470853 GYERXTCLEUQBBH-MRXNPFEDSA-N 419.493 1.611 30 10 HDEE C#CCCN1CCN(C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)CC1 1442677782 KZNYBGUAGKKWDI-UHFFFAOYSA-N 406.442 1.774 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 1443744695 OJDIIZLISBNQAB-WBVHZDCISA-N 414.506 1.787 30 10 HDEE C[S@@](=O)CCN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1444490608 QHGBWTDBWGWOER-KUNJGFBQSA-N 400.545 1.096 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1455215868 XRFSNUHFOLUTRL-GMAHTHKFSA-N 405.454 1.622 30 10 HDEE Cn1c(N2C[C@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1458733936 UBPBWBQKAVSLMD-SZNDQCEHSA-N 417.510 1.477 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NC3CCCC3)c2)nn1 1461058923 PMZXQDIGOIGXCB-UHFFFAOYSA-N 403.508 1.923 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1463996306 KATKQBBAJPJURT-UHFFFAOYSA-N 424.522 1.666 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1464044012 XCHNSDAUJWDUAC-UHFFFAOYSA-N 422.320 1.816 30 10 HDEE C=C[C@@H](O)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1467498186 UPWAOTDGKGURCT-HUUCEWRRSA-N 400.260 1.919 30 10 HDEE C#C[C@@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1468479295 QKERRJXORCWPOI-NSHDSACASA-N 413.425 1.512 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCO[C@H]([C@@H]3COC(C)(C)O3)C2)C1 1469729474 MYWDXVSCXWJIAL-UGUYLWEFSA-N 424.498 1.307 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccccc1CN1CC[C@@H](O)C1 1469757475 CWYUTEADAFCKAK-LJQANCHMSA-N 401.507 1.740 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)nc1 1470880973 OYRKQGSQVSCVHH-SFHVURJKSA-N 411.487 1.455 30 10 HDEE Cc1c(C#N)c(=O)n(CC(C)(C)CN2C(=O)c3ccccc3C2=O)c(=O)n1C1CC1 1473072561 CTHGDUFYZACIPA-UHFFFAOYSA-N 406.442 1.847 30 10 HDEE C#CCOc1ccc(Br)cc1CNCCS(=O)(=O)N1CCCC1 1474280884 SDOORVCVNHPNLF-UHFFFAOYSA-N 401.326 1.976 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)CC1 1503762560 IFFYNCJXCDFAEA-UHFFFAOYSA-N 405.466 1.071 30 10 HDEE COC[C@@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1504610821 SXMFABABHMAGEO-SJCJKPOMSA-N 410.450 1.696 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnn2ccccc12 1504997948 GXHHCEIDEJXQRC-NVXWUHKLSA-N 411.466 1.427 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1507519316 ZEODTCSIUFWFPB-HUUCEWRRSA-N 412.519 1.943 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1507613459 MZLBQSUGNBGBKN-OAHLLOKOSA-N 413.478 1.567 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507616954 QACKTVPRNXEVGD-ZIAGYGMSSA-N 419.473 1.134 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCS1 1507668876 DWKUXIRGDHBVFO-APWZRJJASA-N 406.577 1.929 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC)n1 1507716057 GEXFURPUIKHGRR-MRXNPFEDSA-N 420.539 1.073 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cn2)CC1 1507716970 XKVDQVUTCQWBST-UHFFFAOYSA-N 420.452 1.263 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(CCC)C2)CC1 1507724465 QMRQBPGQVSCYFC-OAQYLSRUSA-N 407.566 1.751 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCCS2(=O)=O)CC1 1507728967 CICGVDHNCONWKU-QGZVFWFLSA-N 407.584 1.589 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H](C)C1 1507764446 MIMACGHNXWJMDZ-YIOZNXECSA-N 409.556 1.696 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2cncn2)CC1 1507844886 RSQRCHLRKNQGAX-SFHVURJKSA-N 401.515 1.883 30 10 HDEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1507965597 OSASDCYLTLUUHM-UHFFFAOYSA-N 404.536 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](COC)C1 1508143818 KSZNYRLZJYPMBU-KRWDZBQOSA-N 419.551 1.728 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1509663586 YUYHYMZHQBPVKT-VBKZILBWSA-N 401.515 1.461 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1515095036 DTSVAUVWNNHGOE-SFHVURJKSA-N 409.494 1.448 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCC(C)(C#N)CC1 1516835039 BLXWCDRTJRLQLO-HNNXBMFYSA-N 410.544 1.241 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CCO1 1517532296 AQRUGQLQGVXWQH-OAHLLOKOSA-N 420.420 1.397 30 10 HDEE COCCOCCCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1519389261 GJBQADKNYFXSKM-UHFFFAOYSA-N 416.530 1.270 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1521063339 PHZHGKHYAKRFKG-XHDPSFHLSA-N 407.418 1.251 30 10 HDEE CCn1ncnc1-c1ccc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1522364457 XSKWOBSSALOVGZ-UHFFFAOYSA-N 404.478 1.841 30 10 HDEE C#Cc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 1528919572 DCRMDGNWGYZZPO-SFHVURJKSA-N 424.478 1.921 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O 1531183284 XDNUBOMKJFMIOA-UHFFFAOYSA-N 404.463 1.607 30 10 HDEE Cn1ncc(I)c1CNC(=O)Cc1cccc(OCC#N)c1 1536458344 JXEIVVAGPIMUOF-UHFFFAOYSA-N 410.215 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCN(C)C1 1539002051 OZHDHMHUAWCTOY-JTSKRJEESA-N 405.506 1.655 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(N(C)C)CCSC1 1539147828 KIEXNNXJBXXKRH-WOJBJXKFSA-N 407.584 1.825 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN(C)Cc1ccc(F)cc1 1539231730 VWKMUGYBFUNJTN-UHFFFAOYSA-N 410.497 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(N(C)C)CCOCC1 1539417795 UTFZQIOGGSCBQL-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCC(=O)NC2CC2)CC1 1539467520 SZGQBBUWIOQXHF-UHFFFAOYSA-N 414.554 1.600 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1540084462 ULWXEWALDVHNRR-UHFFFAOYSA-N 400.458 1.592 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1540169733 HZWXHFUBJSPLMN-OAHLLOKOSA-N 409.556 1.521 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CC)C1 1540890435 FBRIJHOZWZAINN-KURKYZTESA-N 402.543 1.885 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ncc(Br)s1)c1cc[nH]n1 1542191891 OFMRYDTXTSOLCJ-UHFFFAOYSA-N 402.230 1.551 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc[nH]n1 1542341142 XJJRBTKFWFZMFR-INIZCTEOSA-N 416.434 1.890 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)c12 1544030500 IATPHHBRJSCXLH-UHFFFAOYSA-N 416.503 1.743 30 10 HDEE C[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1544428690 WUIFGVJWYVINTD-FZFLATATSA-N 407.478 1.637 30 10 HDEE CC[S@](=O)CCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1552434713 KNBDEVPOZNZIJB-LJAQVGFWSA-N 413.551 1.907 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCOC1 1554124367 AGLFBRALENICAJ-SFHVURJKSA-N 424.505 1.538 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CC1 1554494199 ARXMCEQGGYZVKJ-UHFFFAOYSA-N 406.450 1.623 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554693982 CLCKDXUEQHASTG-KCQYIYACSA-N 414.510 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1556132585 PCCZTJQOBKANKX-KBPBESRZSA-N 424.498 1.234 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3cccc(F)c3)noc2C)CC1 1558075347 VBJLFBSCLHRJMR-UHFFFAOYSA-N 406.439 1.015 30 10 HDEE CC1(C)OB(C2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)OC1(C)C 1558164239 ZETNAXDRLAPHDS-UHFFFAOYSA-N 414.271 1.965 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 1562290951 FYBDLEPSHVEAIZ-GOSISDBHSA-N 400.479 1.949 30 10 HDEE Cc1ccc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1C#N 1565327197 QHYQKHAEYAZCRO-UHFFFAOYSA-N 407.474 1.441 30 10 HDEE COc1ccc(CN2CC[C@H]2C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1566409507 GIYJYZBEJLMMSG-UZLBHIALSA-N 406.490 1.668 30 10 HDEE COCCOC1(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CCOCC1 1583114074 AIBHOUMINPSRDG-KRWDZBQOSA-N 405.470 1.852 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2 1585295249 BKGAPEKPKBDCCE-JBHMFYQLSA-N 424.501 1.168 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1C 1585660314 JNLJPXFUJUZSMF-GQIGUUNPSA-N 401.488 1.053 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccccc1)N(C)C 1587561123 BFSLFCVRNPXIJK-JZXOWHBKSA-N 418.567 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1587638415 DSYCPIJHVXWRSS-IUODEOHRSA-N 405.405 1.630 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1587651015 GZTFJOYYNDJYFE-KRWDZBQOSA-N 424.530 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1Cc1ccc(C(N)=O)nc1 1588143945 OFFBMPSDLYSEIJ-UHFFFAOYSA-N 420.423 1.762 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cncn1 1588194322 SQRKQCSHOQEAGD-UHFFFAOYSA-N 423.502 1.103 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1595421411 GAIOJAXAGIVAIS-UHFFFAOYSA-N 416.551 1.895 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC#N 1595496570 AGVHLWSZIKSSAY-AWEZNQCLSA-N 416.507 1.389 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CC1 1595545258 TWUCPKLTJULDJP-UHFFFAOYSA-N 410.526 1.601 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)C1 1595722522 KRFMCVZWLWREHU-GOEBONIOSA-N 407.496 1.306 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CCC)C2)C1 1595743525 CFIXZGYIUOPCHW-RTBURBONSA-N 416.570 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@H]1C 1595788619 DTQCYNAXRVCCRR-CQSZACIVSA-N 408.528 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1595789682 ZSUWLBNGMVYUNN-UHFFFAOYSA-N 417.535 1.882 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C)C1 1595811934 HHRDERXKCMBJMG-INIZCTEOSA-N 420.535 1.703 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1NS(C)(=O)=O 1595861123 GNTLFHSSFKHWON-INIZCTEOSA-N 409.508 1.981 30 10 HDEE CC[C@H](C)c1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1613179629 BSZPTBYCRCBTDR-ZJYNUGOYSA-N 424.509 1.787 30 10 HDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CCS(=O)(=O)C1 1618434699 GFPLZZNFVIQUAQ-MRXNPFEDSA-N 402.524 1.848 30 10 HDEE CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1618487422 DHKRQSMEXMBKPU-PGRDOPGGSA-N 415.586 1.938 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NC1CCCCC1 1620026196 WNQZIUACRWWANT-RDJZCZTQSA-N 420.514 1.180 30 10 HDEE CC(C)[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C(=O)CC#N)CC1 1622395693 HDRQWIADKMIQTD-SFHVURJKSA-N 403.458 1.234 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)CC1 1622958740 PTODTJDQIWGHQL-UHFFFAOYSA-N 417.491 1.576 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)n[nH]2)c1C 1624840994 MDYHUYAAVIMHAE-FQEVSTJZSA-N 403.483 1.899 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1cccc(SCC#N)c1)C1CCCC1 1626234353 BXJZRKDRICRPAT-KRWDZBQOSA-N 410.565 1.987 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1628681055 SXSDEQSPYWJPAO-QAPCUYQASA-N 401.381 1.601 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1628917165 DAOCLXGQNUNDHZ-MDKPJZGXSA-N 416.547 1.569 30 10 HDEE CN1CCN(C)CC(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 1629821087 UOGCJFMVSXCXRV-UHFFFAOYSA-N 413.501 1.007 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1630762302 PCGGKUWRYORLDF-UHFFFAOYSA-N 420.469 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCS(=O)CC1 1632787850 MIDALHDDZLIEMB-QGZVFWFLSA-N 403.504 1.983 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccn(-c3ccc(Cl)cc3Cl)n2)c(=O)nc1O 1632997250 DXKPFEKSMYVCAB-UHFFFAOYSA-N 405.201 1.952 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1634215777 JQEBIWHLQFGGDP-ZOBUZTSGSA-N 416.540 1.508 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cn1 1637454919 GHKCECSFGCVHBG-MJGOQNOKSA-N 420.391 1.413 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1640284989 WFXBXYXQQATBNK-ZMSDIMECSA-N 404.442 1.089 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CCn2ccnn2)s1 1640536588 CFEOFVKZUNOULY-HNNXBMFYSA-N 423.564 1.818 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3C(=O)NCC(F)F)cc2C1=O 1640885423 XUXSXBHFQFXUCG-HNNXBMFYSA-N 405.401 1.845 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1641047181 WHLOPTJUUFPHSN-WKQASXCGSA-N 407.511 1.773 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1641583136 QAELTTRRHDBWEG-SJORKVTESA-N 422.551 1.954 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C)C(=O)OC 1642415467 SHOZGWQXWBJKBI-CYBMUJFWSA-N 402.266 1.456 30 10 HDEE CN(CCCCCCNC(=O)OC(C)(C)C)C(=O)CCn1cc(C#N)c(O)nc1=O 1644195801 UKOODHJWMLDNSY-UHFFFAOYSA-N 421.498 1.754 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CC1 1648035606 NFKPUEDRFKEXOG-KYBDOYODSA-N 424.611 1.501 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CC1 1650846308 QYQPDTQNUBPZJB-HNNXBMFYSA-N 403.426 1.334 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1650957527 DFWQEWNQQFQPMN-CPCISQLKSA-N 402.266 1.992 30 10 HDEE N#CC(CCNC1(C(N)=O)CCS(=O)(=O)CC1)(c1ccccc1)c1ccccc1 1659868657 NQFMLXQWVXQSLE-UHFFFAOYSA-N 411.527 1.909 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1662023346 BWNGEDFGYYLAIA-OAHLLOKOSA-N 404.510 1.113 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)C1 1662708277 MLKQBOGYFNADHD-CQSZACIVSA-N 404.579 1.654 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)[C@@H]1CCCO1 1662895915 RBCQIQMNHDBVMI-CABCVRRESA-N 404.485 1.437 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)nn1 1669875262 NLTBIWUGBSPYDT-UHFFFAOYSA-N 401.395 1.452 30 10 HDEE CC(C)(C)OC(=O)c1cccc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1670979005 LCQSYDXEMDYHFP-OXJNMPFZSA-N 419.503 1.722 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 1679943725 ASDMGLZJSMQDKT-CVEARBPZSA-N 420.514 1.192 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)CC1 1682428385 LXYBKNREIHGQOM-KZNAEPCWSA-N 401.511 1.551 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1 1682560108 LYCBGHKUGTWKKZ-IBGZPJMESA-N 421.519 1.035 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 1682742116 AUJMACNWROXYNA-UHFFFAOYSA-N 403.460 1.354 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)cc1 1684883566 BAFLYOIDVIMXDH-UHFFFAOYSA-N 422.489 1.573 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c1C 1685829586 JEYYWQPJAHPHBE-UHFFFAOYSA-N 420.579 1.501 30 10 HDEE C[C@H]1CN(C(=O)NCC#CCN(C)C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1687890256 HTXMKQWGOUONGR-KRWDZBQOSA-N 408.543 1.751 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1689827084 ZLKRBDHREZGIGB-KGLIPLIRSA-N 423.514 1.680 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1689904153 MJISWLPDBMABFM-ICSRJNTNSA-N 416.570 1.607 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1689986111 IYPUEQQBLCKNBP-GJZGRUSLSA-N 405.549 1.796 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689996710 MOAHVCZGOYETJM-MRXNPFEDSA-N 407.540 1.073 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCS(=O)(=O)N(C)C 1690038547 UJUPUEVHYURTFP-UHFFFAOYSA-N 413.547 1.862 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1690515929 XJVLLUDGJHDCKA-AWEZNQCLSA-N 403.512 1.560 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690674396 ZFOJGNDPRHZDDQ-OAHLLOKOSA-N 423.564 1.246 30 10 HDEE CC(=O)N1CCCN([C@H]2CN(c3nnc(C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1690828732 MRENIXMMGPXVGF-YWZLYKJASA-N 411.510 1.478 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1697881463 LRUFDRFCFXOBTQ-VKJFTORMSA-N 401.467 1.988 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1705480369 USWZMZGBOXFPGT-IPJJNNNSSA-N 419.570 1.745 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1705566979 SYEVMZMFZPZUNQ-RBUKOAKNSA-N 419.595 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C)n1 1705588295 BKMMLIJTSJETAC-CQSZACIVSA-N 420.564 1.359 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1Cc1ccc(C)n(C)c1=O 1705589578 SNGYKOLCEQIPIY-SFHVURJKSA-N 411.506 1.520 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)CC1 1705780223 JVCRHAOCHSPIET-KRWDZBQOSA-N 402.543 1.742 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCO[C@H]2C)CC1 1705785771 VTMYQCDHPROCEY-QUJKESNLSA-N 406.527 1.944 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1)C1CC1 1705849968 AZMHPYVEQZSQGQ-QGZVFWFLSA-N 418.519 1.919 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCc2oncc2C1 1705907501 ORMHCSCEMRQTLZ-UHFFFAOYSA-N 408.462 1.753 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1705931827 BRTUYTAWFOAEQD-CVEARBPZSA-N 406.556 1.793 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1705939117 AAZAPFGSIAOGSX-CVEARBPZSA-N 409.556 1.720 30 10 HDEE C=CCSCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705949575 CIWKYGAUBVFKDH-VQTJNVASSA-N 424.567 1.845 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1706199485 CPPAPDYRZVOSEB-INIZCTEOSA-N 412.494 1.591 30 10 HDEE COC1(C(F)(F)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1711586520 WOVIZWGVTDKWJN-AWEZNQCLSA-N 422.436 1.833 30 10 HDEE COc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1Cl 1711843612 HEBIJUYOSHFUEC-UKRRQHHQSA-N 416.869 1.668 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722276760 IWYJWLAIXBRHKA-KSFYIVLOSA-N 411.506 1.796 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOCC2)cc1 1722384362 VJNQZCOLOXPPKI-HXUWFJFHSA-N 405.502 1.740 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCC(=O)N(CC)CC)CC1 1722435429 MNGZDTZVYVFLOL-UHFFFAOYSA-N 409.538 1.744 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C(=O)OC(C)(C)C 1722631009 AFPBGBNBIYZOAX-CYBMUJFWSA-N 416.548 1.377 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722699580 KGECNCHLGCNPGT-INIZCTEOSA-N 404.559 1.862 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722701313 MNWXNTYPIBLXOD-UHFFFAOYSA-N 422.533 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC2(CCN(C)C2=O)CC1 1722726232 ZNCRIIGNZRRTAE-INIZCTEOSA-N 423.583 1.841 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1726404054 NLQIRHYGTLDKSY-MRXNPFEDSA-N 415.523 1.005 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1727604887 FFXSZHKAFRMXNK-GOSISDBHSA-N 407.522 1.953 30 10 HDEE CCOCc1nnc(N(C)CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728987455 TYDWSZDRPBBTTB-VHEBQXMUSA-N 402.499 1.967 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1 1729526859 SCGGHFCTRJHCEE-UHFFFAOYSA-N 413.507 1.469 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCC(C#N)CC1 1729741337 HSPRQOCRASYHAT-UHFFFAOYSA-N 408.915 1.888 30 10 HDEE C=CCOCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1734641173 AIFPFEDUDQTBPM-QAGZKXQMSA-N 404.507 1.125 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC=C 1740558882 VQZCGMDHEGGDOB-CQSZACIVSA-N 421.548 1.328 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1740620279 DFFXBELCMKJPMT-GOSISDBHSA-N 424.530 1.662 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](OC)C(C)C)CC1 1740688768 JBTGNIDQJSUWGY-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCC[C@H]2C)CC1 1740693095 TXZYAXIXLOYTTO-DENIHFKCSA-N 416.570 1.170 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1740761460 WUJKTWKUYUTELC-QFBILLFUSA-N 417.535 1.480 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1740899904 QOIIZDYXDJSOIH-CQSZACIVSA-N 407.496 1.263 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1)C1CC1 1740910365 NBJNAOCIUCYRSZ-CQSZACIVSA-N 407.540 1.394 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(C2CC2)C1 1740937207 VNWLRTLKKCXXRU-QGZVFWFLSA-N 402.543 1.637 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC)[C@@H](C)C1 1740963417 KDZKSRPOCMSORH-SFHVURJKSA-N 412.538 1.998 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)C1 1740983009 ZOCVUSSKHOJMLY-ZIAGYGMSSA-N 420.482 1.243 30 10 HDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1745670600 VSOFWZPPJXXPIB-MRXNPFEDSA-N 415.523 1.183 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCC1 1746660465 FTGSPHZVEJSODJ-LHIBYTEYSA-N 403.523 1.426 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C(N)=O)nc1 1747706568 GXMBIJCQZFZLDD-GOSISDBHSA-N 417.473 1.832 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1748671837 NFVLOCOTUNGPQM-PBHICJAKSA-N 415.519 1.046 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1748766045 DENVOIUDRFQSRE-MRXNPFEDSA-N 419.493 1.397 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748801708 DVERKVFDMFEUGR-GUXCAODWSA-N 410.584 1.999 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1ncnn1C(C)(C)C 1748962672 NUAAAPHQSRPYMA-INIZCTEOSA-N 401.515 1.653 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749043955 MYIZQEFHIDIDQR-QGZVFWFLSA-N 411.535 1.186 30 10 HDEE C=CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C)CC1 1749348704 WFOULGWQQSXUOO-UHFFFAOYSA-N 402.524 1.760 30 10 HDEE COCCOCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1750098093 XBPPIZRJOJSIAL-IEBWSBKVSA-N 418.542 1.402 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCCCO1 1751207477 BTEMRGPSLXEEFO-HOCLYGCPSA-N 410.544 1.587 30 10 HDEE Cc1cnn(CC2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1751726083 WVQIRTQQPYLFPZ-FMQUCBEESA-N 424.509 1.534 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1752389035 UMSIRHQJMIZACX-HRAATJIYSA-N 413.478 1.759 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1-c1ccccc1 1760160676 JOTYNHKYWMMZEK-UHFFFAOYSA-N 413.445 1.624 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1760232786 DMZVSDRKNHHELB-CQSZACIVSA-N 403.508 1.555 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCn2ccnc21 1760250343 GFRSUFRQRVZECE-IBGZPJMESA-N 422.537 2.000 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCC[C@@H]2C)CC1 1760269204 BJIBYYBEILQDCJ-HKUYNNGSSA-N 414.554 1.232 30 10 HDEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760437250 WMXLZSYZBRYREO-GOSISDBHSA-N 415.494 1.880 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1760437683 LHRGCRMDIOBQMY-UHFFFAOYSA-N 412.519 1.727 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)N(C)C 1760493807 BBXGXZLLSVTSQH-UHFFFAOYSA-N 422.511 1.076 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](COc2ccccc2)C1 1760520953 FNHABMIAQSFVAR-WMZOPIPTSA-N 424.505 1.437 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760525408 DZBSVRKUQYJBBR-DOTOQJQBSA-N 400.552 1.906 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(=O)NC)C1 1760536559 BZFUXUWVJUTBLM-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccccc2)C1 1760545457 UXUIHDAZWODESB-JBYIUTFZSA-N 411.506 1.918 30 10 HDEE CCOc1ncccc1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1767640596 APCPWOLDHFUHRQ-UHFFFAOYSA-N 421.509 1.669 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1767814957 GMJHUEQWDIAZBR-UHFFFAOYSA-N 408.466 1.198 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1769570118 ABGPWTIXGARIKC-BBTUJRGHSA-N 421.542 1.920 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(F)F)C1 1771369290 PDXWALHOSWDPTB-HNNXBMFYSA-N 424.477 1.847 30 10 HDEE N#Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(CC(N)=O)CC2)o1 1771533650 SZHQBFVWOSCNFP-UHFFFAOYSA-N 405.462 1.869 30 10 HDEE N#Cc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(F)cc1F 1849985529 ITDYVDMTIQLOSQ-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)CC1=O 1850025626 DJSIRCJOMZNBMU-GFCCVEGCSA-N 402.407 1.735 30 10 HDEE CCOc1ccc(-n2nnc(C(=O)NCCN3CCC(C#N)CC3)c2COC)cc1 1850671318 PZUMQRZIAQECCA-UHFFFAOYSA-N 412.494 1.778 30 10 HDEE Cn1cc(C#CCNC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)cc2)cn1 1850936853 VWOAOCKUCKQEJV-UHFFFAOYSA-N 407.518 1.503 30 10 HDEE N#Cc1ccccc1N1CCC(C(=O)N2CCC(NS(=O)(=O)C3CC3)CC2)CC1 1851860199 JESCAXPVWBELQL-UHFFFAOYSA-N 416.547 1.847 30 10 HDEE COC(=O)[C@]1(NC(=O)c2ccc(-n3ncc(C#N)c3C(F)(F)F)cc2)CCOC1 1852608593 ICQPWZQQQCCUDJ-KRWDZBQOSA-N 408.336 1.825 30 10 HDEE Cc1nc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c(C#N)c(C)c1Br 1852883676 NPFVKTPCYDYZSG-UHFFFAOYSA-N 415.313 1.486 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N[C@H]1CCN(c2nccn3c(C)nnc23)C1 1853219608 DAWHVDAMNZDPTR-HNNXBMFYSA-N 407.434 1.087 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1853742020 SVBHBSJYGTZIIQ-HKUYNNGSSA-N 402.539 1.099 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1=O 1853829416 VULGSGVIGJDZLF-IRXDYDNUSA-N 403.454 1.684 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccc(Cl)cc2)C1=O 1854167082 CMWITUGNYDVZAZ-IAGOWNOFSA-N 405.882 1.565 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854421025 GEGUQOSLPDOYCS-KRWDZBQOSA-N 424.567 1.476 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)C1 1855022713 GYFHBWXDXISIDU-PBHICJAKSA-N 416.453 1.735 30 10 HDEE COc1cc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c2ccccc2n1 1855072182 CSCHFJSTJISKHJ-INIZCTEOSA-N 407.474 1.516 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ncccc3Br)C(=O)C2)C1 1855072550 JQKSAKOHTGIPOY-CYBMUJFWSA-N 406.284 1.116 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1855127509 YFYBPCHWVJJVIH-MRXNPFEDSA-N 401.486 1.859 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1855606521 TUIABDUOOJQAHR-SFHVURJKSA-N 421.494 1.743 30 10 HDEE CC(C)CC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855829919 JYNTUPSGTBACSY-KRWDZBQOSA-N 418.519 1.038 30 10 HDEE Cc1cc(CC(=O)N2CCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1855961657 RLXUTMNJPLGTLN-SFHVURJKSA-N 408.462 1.132 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)CCN1CCC#N 1856193489 PHNKQRFJEGUTNE-CQSZACIVSA-N 411.911 1.867 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)cc1 1856360223 DHAYDDOUNGCQGE-CQSZACIVSA-N 412.471 1.577 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)CC3CC(F)(F)C3)C2)C1 1856383364 AGJKLQOGSZDFRC-AWEZNQCLSA-N 404.417 1.827 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCN(C(=O)COc3ncccn3)C2=O)CC1 1856459135 PMNFMYRSXYNNDP-QGZVFWFLSA-N 406.446 1.129 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1856538883 RVABJXOFLMTOIX-ROUUACIJSA-N 409.490 1.720 30 10 HDEE COC1(C(F)(F)F)CCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856971923 IAJVKPDBCWFCQM-CYBMUJFWSA-N 410.396 1.985 30 10 HDEE N#Cc1ccc(CC(=O)N2C(=O)CN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1857219838 SXFIPKDXTGBZSB-GOSISDBHSA-N 423.494 1.915 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(C(C)C)cc1 1865722681 XPNJOZUZOSKMAX-OAHLLOKOSA-N 410.474 1.204 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)c1 1867094521 CLCRTHHTQUFMJN-SFHVURJKSA-N 411.368 1.956 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/n1c(S)nnc(C)c1=O 1873498238 XPYNMVABYMUWRK-CNHKJKLMSA-N 403.420 1.403 30 10 HDEE CN(C)c1ncc(/C=N/n2cnnc2SCC(=O)Nc2ccc(F)cc2)cn1 1873502969 ZYTCMRHRHVWDTF-LSFURLLWSA-N 400.443 1.886 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@@H]1CO 2122390981 NPMUJADDCZLISW-DGCLKSJQSA-N 401.510 1.516 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 2180138430 XKSYVVGGSRRDRN-OAGGEKHMSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247907856 JPMUGPNUYYWDQH-UHFFFAOYSA-N 424.303 1.538 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282026945 JXJAHHZTMOFSNL-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE C[C@H]1CN(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)S1(=O)=O 2282064418 ZNRRCMQFOJEJFB-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CNCCSC2)sc1B1OC(C)(C)C(C)(C)O1 2282320688 LWHUEHCSBVCGGH-LBPRGKRZSA-N 418.415 1.339 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@](C)(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322327 KCDCJIODTFUKEG-YVEFUNNKSA-N 401.359 1.938 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C[S@](C)=O)C1 2282326037 MXUSHLRHRFTWDC-VWLOTQADSA-N 419.399 1.355 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1cc(Cl)cs1 2282328957 FTSSUYADLXFUHA-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CC[C@H](N)CC2)OC1(C)C 2282341680 WGBSFJZCDDPIKA-JOCQHMNTSA-N 400.375 1.843 30 10 HDEE CC[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282492864 QSEGXZAYCVMSIC-GXTWGEPZSA-N 401.359 1.580 30 10 HDEE Cc1nc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282522162 GXGRWKUQMIZDEV-JTQLQIEISA-N 400.331 1.010 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(C(=O)O)cc2)CC1=O 2329054608 HQORYFDOYQATHU-HNNXBMFYSA-N 417.491 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#Cc2nccs2)S(=O)(=O)C(C)(C)C1 2338221927 SAJWHVXRQNLLIU-STQMWFEESA-N 400.522 1.668 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@@H](O)c1cc(I)nn1C 2361370691 MQUPKUREXJUNRM-GXFFZTMASA-N 405.305 1.935 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 2362336762 HEDMZHGAPBHGGG-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2365213893 YVTGVLIDTMIRSY-JONQDZQNSA-N 400.541 1.568 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367795316 DLMDOQUIENQMLK-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCC[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367807537 UNLAUWJEDUOEQS-OAHLLOKOSA-N 400.541 1.701 30 10 HDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20292678 MGVNBMMTVODIGK-DJKKODMXSA-N 413.423 1.472 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)c2ccccc2C)CC1 53309570 OKKCESYFFQSHPB-FQEVSTJZSA-N 414.550 1.586 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-] 58272552 DEDCXJPMNCDFQE-UHFFFAOYSA-N 410.374 1.621 30 10 HDEE COCCN(CC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 58397944 CMFKVBUUKWMBLH-FQEVSTJZSA-N 421.563 1.678 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)COc2ccccc2)cc1 96575249 ADAMUWAQVNZTFA-UHFFFAOYSA-N 405.432 1.485 30 10 HDEE CC[C@H](NC(=O)[C@H](C)n1cnc(C#N)n1)c1ccccc1OCC(=O)N1CCCC1 409473214 BHVPCQQKNMCQDV-RDJZCZTQSA-N 410.478 1.979 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 434970611 BSTACQCYKNEERV-UHFFFAOYSA-N 413.883 1.292 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1=O 476212341 ZRNLNPXVGNHCOC-AWEZNQCLSA-N 407.883 1.415 30 10 HDEE Cc1occc1C(=O)NC1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 477035751 SDRHDFGIOMOATN-LJQANCHMSA-N 406.442 1.986 30 10 HDEE CS(=O)(=O)NCc1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)o1 479245334 NDCUFPMHTIPLBW-UHFFFAOYSA-N 416.503 1.617 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)cc1C#N 489270063 ZBQLXIDQNAAKIS-IBGZPJMESA-N 400.504 1.484 30 10 HDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCC(N4CCNC4=O)CC3)n2)c1 501870374 AGVYLDBESHMFCU-UHFFFAOYSA-N 424.486 1.636 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2c[nH]cc(Br)c2=O)c1 504060641 SFXFEYDUXCJFGY-UHFFFAOYSA-N 412.265 1.854 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506329554 FWHOEZNMJZNBKL-GOSISDBHSA-N 401.529 1.521 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507761093 UXXPHZKKSYQZFK-UTKZUKDTSA-N 409.534 1.728 30 10 HDEE C=CCN(C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 522183252 VJFHYGHAMJTAMU-KRWDZBQOSA-N 409.527 1.783 30 10 HDEE N#Cc1cc(S(=O)(=O)NCC(=O)Nc2ccc(-n3cncn3)cc2)ccc1Cl 530586201 XDXKLESCVYFEMJ-UHFFFAOYSA-N 416.850 1.709 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(CC)o2)c1=O 532362472 NBCNXNRXGFZLCU-UHFFFAOYSA-N 400.500 1.974 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2Cl)c(=O)n1C[C@@H]1CCCO1 532611525 DGYQJSTUEGLURX-ZDUSSCGKSA-N 421.881 1.130 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c(OC)c1 545386163 JVPYJVVUZTYYRK-UHFFFAOYSA-N 421.519 1.875 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 552036658 NFAZZPREOUHOOL-NSHDSACASA-N 409.414 1.828 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CCOC)C(=O)C1 569507364 ITICBTLPKYBDPK-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE CC[C@@H](C(=O)N1CCN(C(=O)CC#N)CC1)n1nnc(-c2ccc(Cl)cc2)n1 578430327 WULLDBDUJHSTFV-HNNXBMFYSA-N 401.858 1.529 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCCSC 590995499 DEHUPMSDUYTKRE-UHFFFAOYSA-N 401.557 1.692 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCCO)cc1 703984770 SJKUXRMAPQBKSE-UHFFFAOYSA-N 412.467 1.849 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC(F)F)cc1 730142166 MZNCFTMXJHEIMB-OAHLLOKOSA-N 424.473 1.921 30 10 HDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732697384 XJYVMLWHWPKASB-OAHLLOKOSA-N 419.507 1.340 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 742028831 JIGDYICMEJGOHO-RMYFCYLKSA-N 414.553 1.888 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 742193171 BDHDPHOVKLBLJF-UHFFFAOYSA-N 411.487 1.141 30 10 HDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C1 742406240 UOHXXRJNLIRZTG-DOTOQJQBSA-N 419.551 1.023 30 10 HDEE C[C@@H](CC(=O)NCC1(O)Cc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 742694780 KPAFWOYAFKUBSR-AWEZNQCLSA-N 413.499 1.150 30 10 HDEE CCOc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)c1 743730623 BHSSFAOSJVQIMA-UHFFFAOYSA-N 413.462 1.972 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c1 751623269 KOQLGIRCOCSJTP-CQSZACIVSA-N 405.457 1.490 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC1(C#N)CCCC1 758973974 LCOJHHFWJIBQQW-UHFFFAOYSA-N 420.535 1.807 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2ccccc2n1C1CC1 759369258 NXHKLLZACWNHLP-UHFFFAOYSA-N 409.471 1.726 30 10 HDEE CNC(=O)COc1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1OC 760401831 MVVBKAJGTDIMEB-UHFFFAOYSA-N 423.491 1.354 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@H](C)c2ccc(Br)cc2)CC1 770287949 BDEIZPONMFGQET-HNNXBMFYSA-N 406.324 1.836 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)c2cccc(C#N)c2)C1 783066830 FFLIIVXCYOPRKP-UHFFFAOYSA-N 409.464 1.389 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 789329402 GGVBWRDTYNWCHY-HNNXBMFYSA-N 405.476 1.761 30 10 HDEE C#CCN(Cc1ccc(F)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 795084929 JGFXTVSWNBSGCS-UHFFFAOYSA-N 402.513 1.262 30 10 HDEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3cc(C#N)ccn3)CC2)c(F)c1 803847580 KJMZKBHXCIQCIA-UHFFFAOYSA-N 410.405 1.801 30 10 HDEE C#C[C@H](NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1F 804420153 DHZFGRKPIZXZME-HNAYVOBHSA-N 421.856 1.885 30 10 HDEE N#Cc1ncccc1COC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 813164672 UHEDGMIKQDPYEY-MRXNPFEDSA-N 401.444 1.768 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3cccnc3C#N)CC2)cc1 813165786 QYRPRRFMSKIXBD-UHFFFAOYSA-N 410.455 1.969 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2Cl)C1 816692547 QIAZFMJMGKDSPV-SMDDNHRTSA-N 415.899 1.481 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@@H](CC(C)C)C(=O)OC)ccc1F 817057504 HZOVDSAQRIEXPV-HNNXBMFYSA-N 400.472 1.950 30 10 HDEE COc1cc(NC(=O)CSc2nnc(NN=Cc3ccco3)n2N)cc(OC)c1 1084220206 UMCRLILVQMAMBE-UHFFFAOYSA-N 417.451 1.779 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cnc(OC3CCOCC3)c(Cl)c2)CC1 1128333335 NLKHNWCSYZKPIQ-UHFFFAOYSA-N 405.882 1.894 30 10 HDEE N#C[C@@]1(C(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)CCCOC1 1128872024 XJRCYYCQXVYFKP-KEYYUXOJSA-N 403.401 1.381 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1 1128961558 BSUFFLJLJLSVJA-UHFFFAOYSA-N 405.476 1.454 30 10 HDEE C[C@H](Sc1nc(CC(=O)Nc2ncc3c(c2C#N)COCC3)cs1)C(N)=O 1129873341 MDKHVLCVWAQPCJ-VIFPVBQESA-N 403.489 1.630 30 10 HDEE CO[C@]1(CNC(=O)COc2cccc(Br)c2C#N)CCS(=O)(=O)C1 1133764179 WWQIWLNJXKTEAS-HNNXBMFYSA-N 417.281 1.019 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 1136097650 PFXXRLPYLPYLEN-UHFFFAOYSA-N 409.508 1.461 30 10 HDEE Cc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1S(=O)(=O)NCC#N 1138127538 BJPUXGRFZPDVQR-UHFFFAOYSA-N 411.443 1.777 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)(F)F)CC1 1140133022 TYBQGSKXGCRZCH-GOSISDBHSA-N 407.392 1.287 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@H](CNC(N)=O)C3)C2)C1 1141699291 OQVWKVJTYTUKPV-KHQOZGCUSA-N 419.526 1.680 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1164659138 OQQITGFPNFKDRD-OAHLLOKOSA-N 418.427 1.867 30 10 HDEE C#CC1(O)CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1167531310 LGRNOYLNLLLIOX-UHFFFAOYSA-N 419.275 1.812 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC2CC2)[C@H](C(N)=O)C2CC2)ccc1F 1171949205 DBWWGSGGCDVTEM-KRWDZBQOSA-N 409.483 1.406 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCC#C[C@H]1CCCCO1 1180363503 XAENABWYTCIQGH-LJIZCISZSA-N 412.408 1.661 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1189623400 HLWOJHSKYYWZHK-RBUKOAKNSA-N 408.520 1.871 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(CC#N)CC1 1190069446 GMSKCIVIVXMAEZ-AWEZNQCLSA-N 415.512 1.494 30 10 HDEE CN(C)C1(C)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1196980725 GKBDONCTGNAYCA-FQEVSTJZSA-N 401.530 1.951 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@@H](C)c2nnnn2C)n(Cc2ccc(F)cc2)c1C 1198452423 YSNSNWBPIKFPJI-ZDUSSCGKSA-N 410.457 1.977 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1212489990 CIWCTPLTNWRJLN-UHFFFAOYSA-N 405.501 1.846 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1286296663 QORMNHQKHDFBLZ-GJZGRUSLSA-N 406.483 1.856 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286336115 VIAIOHRBZXLJNT-OAQYLSRUSA-N 418.542 1.584 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1 1286467935 XNOYDDLCVOUWMT-KRWDZBQOSA-N 420.510 1.762 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286664616 ZBQUYRPABVWIJU-MSOLQXFVSA-N 403.527 1.679 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C)C1CC1 1286735393 YGOZJMPWSWZTOS-UHFFFAOYSA-N 403.508 1.592 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOCC)CC1 1286782130 LLBXIJVAYCSZRD-UHFFFAOYSA-N 423.521 1.277 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1286788883 JMNQADCKBZIRHF-UHFFFAOYSA-N 423.443 1.250 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)N(C)C 1288606567 GADFDGXNMYGKHA-YOEHRIQHSA-N 402.524 1.390 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(O)c3)CC2)c1 1290365103 IODQLCHASDWPFR-UHFFFAOYSA-N 403.435 1.791 30 10 HDEE CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1295102125 XIPGHGIDCXNWGZ-ICFOKQHNSA-N 401.858 1.976 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(C(F)(F)F)cn2)cc1 1298172077 KPULBXHQSZPEGB-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1300364389 JRXDVPOROXJDIU-QGZVFWFLSA-N 421.567 1.288 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1ccc(Br)cc1 1300396108 JUXJPKCNBRKORK-UHFFFAOYSA-N 409.280 1.982 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccc(F)cc2)CC1 1300431512 XHQBMFOTNDQQAE-CQSZACIVSA-N 405.499 1.829 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1300432225 DISQLMKWGCAGQQ-QGZVFWFLSA-N 410.526 1.021 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300482297 DRCFSNZHRQWCGU-HKUYNNGSSA-N 407.584 1.725 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1300505512 CBHMTMACXXLZSQ-KSZLIROESA-N 422.551 1.595 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCC1 1300578838 HSAFWFKAIWNSQU-UHFFFAOYSA-N 402.458 1.972 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1300602399 QLQPNQITOUGTAO-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCc1cccc(C)n1 1300648631 HQIFQUJAPWAVOO-UHFFFAOYSA-N 410.522 1.936 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@]2(CCOC2)C1 1300741054 LDCSLKYHOSSPSV-VQIMIIECSA-N 410.540 1.364 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(C)=O)nc1 1301425521 WFCGPBRAZXCTKV-KRWDZBQOSA-N 400.483 1.823 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1301505809 BHFKPHQIPIQYCC-NRFANRHFSA-N 414.485 1.273 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCO[C@H]1C 1301808242 AFJCXJZHVYPSQQ-IFXJQAMLSA-N 420.539 1.540 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302525717 SPIFQTKVKAAXCD-QRVBRYPASA-N 418.542 1.258 30 10 HDEE Cc1nccn1CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1304703546 GUOLTMCXDIIRPX-CQSZACIVSA-N 420.543 1.224 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCc3nnc(-c4ccccc4)n3C2)c1C#N 1306285763 IBTJBLGBBZTSBY-HNNXBMFYSA-N 404.478 1.893 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1315935316 KAOCBXRLSYETTO-DYESRHJHSA-N 410.478 1.147 30 10 HDEE CSC[C@@H]1CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1316435592 XZCKBCBQIUTJEU-STQMWFEESA-N 424.552 1.733 30 10 HDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2cccc(F)c2F)n1 1328229358 BTCMWPNCSQSCIY-AWEZNQCLSA-N 420.445 1.894 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1352020422 ILZZHTQXWYYFQU-CYBMUJFWSA-N 417.512 1.589 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1358886691 JBFOBUPJSQESKB-CQSZACIVSA-N 412.494 1.722 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(OC)CCOC1 1358941178 AJVSMRTYRBGIAS-LJQANCHMSA-N 404.492 1.224 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359142269 DNMUKOUTDFOEKM-RHSMWYFYSA-N 418.947 1.770 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N1CCOCC1 1359238850 YDKGVYWUOJPBHU-UHFFFAOYSA-N 409.450 1.075 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC2(CCOCC2)C1 1359293709 XSLRVWDKFJAZME-INIZCTEOSA-N 407.515 1.311 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC2CC2)CC1 1359331664 FLLWVGWVPVZTMD-GOSISDBHSA-N 423.583 1.305 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359333213 QVCKQCOWTANRNX-UHFFFAOYSA-N 416.507 1.727 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1359343739 ZRDLICABEBSCSB-GJZGRUSLSA-N 400.570 1.572 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1359477544 ZRYCZMCQULOUPK-RDJZCZTQSA-N 409.494 1.647 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccccc2C#N)CC1 1360173502 AMCVZZSRCOZZIG-AEFFLSMTSA-N 400.479 1.889 30 10 HDEE Cc1cc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc(C)c1C#N 1360721470 SZCHBKBNERVALW-UHFFFAOYSA-N 401.492 1.492 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 1440614442 FXZQZZLIVSOARR-UHFFFAOYSA-N 414.428 1.786 30 10 HDEE CN(C)[C@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1(C)C 1452115633 IZBJRXYDSCOURI-MOPGFXCFSA-N 418.563 1.804 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1453210715 DPTVKQOPMAXBKE-AWEZNQCLSA-N 414.487 1.178 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1453885949 TUCBTFCNWJSLND-YJBOKZPZSA-N 411.911 1.635 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)NC)ccc1Br 1454356783 FZPFQEDYBVEZKY-LLVKDONJSA-N 403.298 1.515 30 10 HDEE COc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1OC 1456121138 DTMLQSQLLHJMIQ-UHFFFAOYSA-N 417.487 1.757 30 10 HDEE C[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@@H](C)N1CC(F)(F)F 1456835507 PKIQTEHSUGLNKU-OKILXGFUSA-N 417.453 1.957 30 10 HDEE CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1464700680 RNKKXYLUNCWYGR-CQSZACIVSA-N 409.483 1.891 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1 1467699099 DBGIJZZJLYFCEH-QGZVFWFLSA-N 414.897 1.444 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1472225646 WFFLKRAVKHWQFK-UHFFFAOYSA-N 401.492 1.587 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 1475618699 ZTKXVJVCUJFEOC-UHFFFAOYSA-N 411.423 1.519 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)cc1 1478682597 KWMWWBSYVFEDFM-UHFFFAOYSA-N 401.488 1.948 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)C1 1503861687 ADTMUVLCBOATFO-UZLBHIALSA-N 413.503 1.684 30 10 HDEE COCC[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504787431 VBHOTBIKJNGYHC-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE C[S@](=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1505148645 ANAVIRMWFJMTSO-JTHNULJVSA-N 421.567 1.837 30 10 HDEE CSCCCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1505256104 ZHZUJUBHNOWCOP-ZFDMEJTGSA-N 420.539 1.498 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1507525255 FSLMLRQADWNPGH-AWEZNQCLSA-N 416.503 1.957 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507636148 ZIWVPAZCICYIHM-SJLPKXTDSA-N 405.568 1.342 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1507643527 WLHJONWNRCITMS-HIFRSBDPSA-N 420.564 1.530 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(OC)CCOC2)CC1 1507718923 WHNNVGDUIASNQX-JOCHJYFZSA-N 411.506 1.514 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOCc2ccccc2)CC1 1507726714 KSMIWQNRTKEHJQ-UHFFFAOYSA-N 422.533 1.373 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1507766120 YNWYXSVHFMLYNO-YSGRDPCXSA-N 423.583 1.822 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)CC1 1507902575 KQNVTAMGGBTIJK-QGZVFWFLSA-N 409.556 1.814 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](COC)C1 1508079513 YAZOAVDIMBALNZ-OAHLLOKOSA-N 413.478 1.839 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNS(C)(=O)=O)C1 1508118739 XBDCXLFTLZDAIQ-KRWDZBQOSA-N 421.523 1.284 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508421424 FKDIDFLPOBQXTN-CABCVRRESA-N 405.528 1.161 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C(C)C)N1CCOCC1 1511852961 DVTOSVDMEYNSCV-IBGZPJMESA-N 411.510 1.478 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1513760628 GOTSHEXPQUYING-QGZVFWFLSA-N 420.521 1.899 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Br)n1 1516615288 YDCWWMDATWYAHD-CYBMUJFWSA-N 407.272 1.749 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)c1 1534487947 MHOUKBJBDNCHNZ-CQSZACIVSA-N 403.460 1.889 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccnn3[C@H]3CCCOC3)C2=O)cc1 1537368027 ANIKRZBIQULERH-IRXDYDNUSA-N 422.445 1.950 30 10 HDEE CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CS(C)(=O)=O 1537751917 BBGOZSSNEXFVBX-CYBMUJFWSA-N 411.911 1.752 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCC(=O)N(c4cccc(F)c4)C3)CC2)c1C#N 1538697963 GDGXIJNRVUCQPP-INIZCTEOSA-N 424.480 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)CCOC 1539025250 GRUMWEYXOUZTKO-LIRRHRJNSA-N 405.524 1.515 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1)[C@@H]1CCS(=O)(=O)C1 1539219802 MUCZDTXMBSUGTB-IXDOHACOSA-N 424.567 1.033 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539229941 AKBRZFVWSYVEFH-QZTJIDSGSA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1539238220 SQLWVNFBCZWCLI-UHFFFAOYSA-N 412.519 1.144 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccccc1 1539295501 BJZXDWUILKULKU-SFHVURJKSA-N 413.547 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)NC 1539307457 SQZRIIBJVUCIJI-UHFFFAOYSA-N 423.901 1.750 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)[C@@H](C)CCC)CC1 1539454157 YPYKEMMJGHJVQF-IBGZPJMESA-N 423.565 1.572 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCOCC1 1540864173 RSCUIORYZAXGBQ-UHFFFAOYSA-N 409.288 1.185 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnn(C)n2)C1 1540896115 GTDNRXQDRBMCFU-ZMSDIMECSA-N 416.530 1.550 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N(C)[C@H]1CCOC1 1540901288 YYJLYNINAXJABN-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1541111515 MTLUOOGKZWZYSM-RMYFCYLKSA-N 406.450 1.462 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1541113721 ZBUGITGXTVAFIE-YOEHRIQHSA-N 410.478 1.919 30 10 HDEE CC(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1541759321 CNYMGSJHJLFFEC-QGZVFWFLSA-N 403.508 1.865 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1541989035 FFUCYQZGCHLGMR-JOCHJYFZSA-N 421.505 1.549 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCCNc3ncccc3C#N)=NO2)C1 1544054494 ATZJYFZYIJSAMC-FQEVSTJZSA-N 414.466 1.637 30 10 HDEE CCc1nnc(N(C)[C@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1\N=CC=CC1=O 1546410942 UCOTVFUYNRVCQN-CVTQAYBASA-N 424.509 1.614 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N(C)C 1555060614 DSRBMNYXSLMDBH-OAHLLOKOSA-N 420.539 1.365 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(Br)cc2c1OCCO2)C(=O)OC 1556375993 YMGLVMSVTURBQV-GFCCVEGCSA-N 400.225 1.694 30 10 HDEE CC(C)(O)[C@H](Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457312 BRMCZQQJYACWDF-VQTJNVASSA-N 407.470 1.994 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H](OC3CCOCC3)c3ccccc3)C2)c(=O)nc1O 1558806179 HFYMSVDLUMXRCK-GOSISDBHSA-N 410.430 1.141 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)C1=O 1568184104 IDMVLTZWLODJDT-IBGZPJMESA-N 404.486 1.429 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccnc2)cc1 1570722888 HAIDCUYPMBCSKD-FQEVSTJZSA-N 421.482 1.504 30 10 HDEE Cn1cc(CNC(=O)CC2CCN(S(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 1584730406 FJXSPCCCUDNANG-UHFFFAOYSA-N 415.519 1.637 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1585417591 CNZDUFRVOBZVEI-ZUHIPDPLSA-N 419.570 1.525 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCC1 1587600519 ZKVYMMQRKWEXCO-QGZVFWFLSA-N 405.510 1.865 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H](C)OC)c1 1587684103 SKTGYXOVDSMLDV-INIZCTEOSA-N 424.505 1.605 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1588049458 GQUMPEHKHBJPJZ-JKSUJKDBSA-N 405.524 1.715 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588073726 CCHHGRNGVXDMKZ-RCCFBDPRSA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1588120672 QLTHISYIMXTOKZ-GOSISDBHSA-N 413.485 1.805 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1Cc1cccn(CC)c1=O 1588238459 WODDEHORZKPIID-UHFFFAOYSA-N 400.486 1.957 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN(C(C)=O)C1 1588637660 IUSWLIVDIZEXKS-OALUTQOASA-N 403.527 1.864 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCCCC1 1589134469 KQVXPCHEQAJEHH-OAQYLSRUSA-N 400.527 1.811 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)CCS(C)(=O)=O 1589394353 DDBUXXGLPRUCTH-LLVKDONJSA-N 420.333 1.009 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1593879320 QCSKNKJJRAKMRU-KRWDZBQOSA-N 424.977 1.915 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1595393384 XZYSWZJIWJWLCF-HNNXBMFYSA-N 400.458 1.890 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1595544176 FVKSJOROKMPYEG-CALCHBBNSA-N 404.559 1.783 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1595838392 QPPAKHMQEAGPDX-IRXDYDNUSA-N 422.599 1.492 30 10 HDEE COc1nsc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1Br 1596092777 HHNZLFPRTRERIL-VIFPVBQESA-N 423.296 1.927 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)cc1 1596283631 HPZYZQDXNVMUSX-WDZFZDKYSA-N 420.462 1.649 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(-c3ccc(F)cc3F)on2)C1=O 1596918400 ZXOXDLHQMLZHGI-UHFFFAOYSA-N 404.329 1.213 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)c2ccc(N3CCOCC3)nc2)c1 1611227749 PJURCZJPZIKAQU-UHFFFAOYSA-N 413.499 1.992 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[S@](=O)Cc2ccccc2)c1 1615180002 GLDFEGRSONRONV-SANMLTNESA-N 408.476 1.802 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1615801762 ANFLBCQPXIUKAB-GOSISDBHSA-N 414.535 1.536 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1615912747 FWEVWIRHXJOONS-ZIAGYGMSSA-N 410.544 1.081 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCc2noc(CC)n2)CCOC1 1616139826 BQHJOOQTOCAOJV-AUUYWEPGSA-N 403.487 1.714 30 10 HDEE COCC(=O)Nc1ccc(OC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1616890569 PGIJYBKASAHDSY-UHFFFAOYSA-N 403.416 1.027 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC([C@@H](F)C(N)=O)CC2)CC1 1620501311 BCEJLDRDMNCNLB-UYAOXDASSA-N 419.476 1.070 30 10 HDEE CN1CCC[C@](O)(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 1626004602 TUHIXBXLOSSNKT-MXTRNAPSSA-N 408.524 1.285 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@](CO)(OC)C1 1628839393 SKWWMUZIJVLEKN-OXJNMPFZSA-N 423.535 1.284 30 10 HDEE COCCN(CCOC)C1CN(C(=O)Cc2ccc(Br)cc2C#N)C1 1631846890 REATYBHHFAIEKW-UHFFFAOYSA-N 410.312 1.669 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)N2CCOCC2)c1 1632357112 WYEIAMAEVQMGLE-IBGZPJMESA-N 418.515 1.337 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)C(=O)C1 1634471295 XMGMZRCRNXQVTE-IIBYNOLFSA-N 420.510 1.377 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](c3nn[nH]n3)C2)C1 1636502876 WOISJFGZVYFVCK-SNVBAGLBSA-N 402.256 1.286 30 10 HDEE CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CC(=O)N(C)C1=O 1639351776 WGUFLDRXIHTOSZ-HUUCEWRRSA-N 408.499 1.960 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C 1639824017 MBBJPOZAAZRPQB-ZIAGYGMSSA-N 402.923 1.601 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(Cl)cc(F)cc2Br)CC1 1640202097 UNLMCUZAQLPQNM-UHFFFAOYSA-N 416.678 1.749 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2nc(C(C)C)nn2C)ccc1F 1644569848 QVGKXQCTTRPLLE-UHFFFAOYSA-N 409.487 1.514 30 10 HDEE C[C@H](CC(=O)N1CCC(Cc2ncon2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1645996354 HFEBHGISZOAZJJ-CYBMUJFWSA-N 417.491 1.368 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC#C[C@H]3CCCCO3)CC2)c1 1647807458 BXTJBQWYHKNGHM-HXUWFJFHSA-N 419.547 1.136 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c(=O)nc1O 1648696160 KGAHOCXBJZDXAQ-IBGZPJMESA-N 409.490 1.772 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1648719390 MADLAILWRNSLJB-IIBYNOLFSA-N 423.498 1.704 30 10 HDEE O=C(c1cn(Cc2ccccn2)nn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649041162 OYOWCYYYOJTINL-UHFFFAOYSA-N 406.402 1.239 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)nc(C2CC2)n1 1649179115 MHGXHQRJAYVLMX-UHFFFAOYSA-N 414.447 1.645 30 10 HDEE O=C(Cn1nnnc1-c1ccccc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1651223842 WVYFLGURZPXJKT-UHFFFAOYSA-N 406.402 1.244 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)S(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 1659658792 OFJLDLRDONMSTN-INIZCTEOSA-N 402.538 1.295 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)CC1 1662588909 ZIBOVFGAHOJTJZ-UHFFFAOYSA-N 407.536 1.048 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)c([N+](=O)[O-])c1)C1CCOCC1 1663234587 KIJRJFBLBYLLBJ-AWEZNQCLSA-N 409.420 1.258 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1663332867 AQRGGGVBCSWRPD-MNOVXSKESA-N 405.373 1.729 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1668210382 PKBUCLUFENIKPP-UHFFFAOYSA-N 415.538 1.521 30 10 HDEE COc1cccc(OCCN2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)c1 1685656781 CNALFLDWXZGRFD-UHFFFAOYSA-N 402.495 1.722 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1689852672 IWXAOESVIHBGPB-ZIAGYGMSSA-N 415.585 1.211 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCN(C)C1 1690026976 UPVLENJQDUMDCT-HSZRJFAPSA-N 407.518 1.613 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1690067695 HOCIQTPZYBUVMW-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC[C@@H]1CCCCO1 1690092545 MISULUIZMQSGMO-SFHVURJKSA-N 403.527 1.949 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(C[S@](C)=O)cc1 1690104064 LPJSKFHFCSKTNY-SLQAJWMNSA-N 416.547 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)NC)CC1 1690140045 JZSBSBOQEPOHSX-UHFFFAOYSA-N 424.505 1.056 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCCO2)CC1 1690170826 REAUBNVYCKGQTH-IRXDYDNUSA-N 403.552 1.991 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)F 1690236732 QIJQQHIVEKIPSZ-YDHLFZDLSA-N 421.514 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC)C1 1690246219 SOBNLHQTOFQTHX-XDNAFOTISA-N 403.527 1.726 30 10 HDEE C=C(Cl)Cn1c(Cc2ccsc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690350178 AHHAYFSZJOGRBG-UHFFFAOYSA-N 401.945 1.765 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2oncc2C1 1690484909 HBHHUUALCVGLIN-INIZCTEOSA-N 422.511 1.128 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1690603920 KUGCYFIQAPUCBX-UHFFFAOYSA-N 410.482 1.519 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCCn1cc(CO)nn1 1692660468 CNDDSKIGFPSUFU-AWEZNQCLSA-N 400.512 1.843 30 10 HDEE CC[C@@H](C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1694201516 LBEKOYISAGEKIZ-HUUCEWRRSA-N 415.498 1.465 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697782459 TVNQOYBZEPJRES-IRXDYDNUSA-N 415.473 1.360 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1698138949 WJIAHSFDYVDGEU-VFNWGFHPSA-N 416.526 1.753 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1705553726 WGAOSGIVWGYQQG-QZTJIDSGSA-N 402.543 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CC(OCC)C1 1705586124 VQXFJSCZEYMNSR-UHFFFAOYSA-N 412.465 1.999 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCS(C)(=O)=O 1705710293 KEHPYDSMMCPIER-UHFFFAOYSA-N 406.512 1.763 30 10 HDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 1705830130 JREITWWVYXZUSP-GOSISDBHSA-N 418.519 1.952 30 10 HDEE C=CCN(c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705850706 FNVDIRLEGWTCSM-FQEVSTJZSA-N 402.520 1.958 30 10 HDEE CCN(C)C(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1709906727 HSJYOFHPNURITN-HXUWFJFHSA-N 400.458 1.798 30 10 HDEE COCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1712395460 SUUOHMPHWOZTIX-GOSISDBHSA-N 411.510 1.802 30 10 HDEE C=CCC1(C(=O)N2CCN(CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCCC1 1720681455 UHCRMABHUGCJNJ-RMMWZPCPSA-N 401.551 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1722278455 MKIKCHBDQBQTQY-VWNVYAMZSA-N 419.570 1.887 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](OC)C1CC1 1722350112 MOWXXZAONMZDOA-INIZCTEOSA-N 402.524 1.733 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1722370036 KMAKJWZQSWUGSN-QZTJIDSGSA-N 423.583 1.173 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(CC)C2CC2)CC1 1722445666 VTSNCXAKWQCKAT-UHFFFAOYSA-N 421.549 1.790 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccs1 1722447419 MTOBNEUFACSTJI-LIRRHRJNSA-N 403.508 1.284 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)CC1 1722510953 WBSXEOKPXMVWJK-APWZRJJASA-N 401.536 1.814 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722523128 CELUODUTQSITMO-CABCVRRESA-N 406.512 1.832 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1722617281 IJFUNTNXHBYTSZ-INIZCTEOSA-N 408.528 1.317 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)CC1 1728601425 AEHCGHGIRPCXHX-IRXDYDNUSA-N 404.563 1.038 30 10 HDEE CCSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729287542 QAXMKKZYPLWGBJ-CVEARBPZSA-N 403.556 1.549 30 10 HDEE COc1ccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1730097766 ZHDROPPORHAFLX-CZIZESTLSA-N 424.461 1.317 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1730485048 SDZJTGTXKKKPLY-UZLBHIALSA-N 414.441 1.832 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1740601232 YGNMFXDYRMONMQ-DENIHFKCSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1740616159 UVJGZASNBUVMIV-INIZCTEOSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740628682 ZNTJBSBHYPXIKH-IKGGRYGDSA-N 406.508 1.101 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(OC)cc2)CC1 1740696541 WNGKAOZCWUATKJ-GOSISDBHSA-N 411.506 1.625 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C)o3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740819986 MFWPDQQAJZBZDI-UHFFFAOYSA-N 406.508 1.943 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N(C)C 1740923680 RQOJCISDXBSFGK-OAHLLOKOSA-N 402.524 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)Cc1ccco1 1740955912 DHXPFUZCIKTSRV-UHFFFAOYSA-N 419.449 1.452 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740956777 PWFIGRKIMLYHDN-OAHLLOKOSA-N 419.551 1.679 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740959198 NHNZWCUGWCKOCT-QGZVFWFLSA-N 411.510 1.303 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(N)=O)C1 1740970050 ZKDMTBWUEFYWAB-IAGOWNOFSA-N 424.505 1.544 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1748753684 RNMGKGRZWBPUAS-RDTXWAMCSA-N 418.444 1.921 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(-n2cncn2)c1 1748765637 OEQHWHCQSASLEU-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1748906403 RYWQHTPCVKLKCO-OAHLLOKOSA-N 415.523 1.238 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCc3nccn3C2)n1 1748970589 KNBFNKYMYTXESI-SFHVURJKSA-N 408.510 1.528 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1749033397 FITIOIGZGONJFG-UHFFFAOYSA-N 417.539 1.374 30 10 HDEE C=C(C)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1749207672 PXUVBQYRNMUEQI-VQIMIIECSA-N 412.556 1.910 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCN(C)C)CC1 1749299168 ZZRLWGQKTHFTPP-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1749605856 FGZMLOBYYBTOAY-JLTOFOAXSA-N 400.483 1.304 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1752335547 LDBRRKPBJASCOR-DHBXDJLTSA-N 408.466 1.354 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1760108766 KQBOLFNKNWPDNO-OAHLLOKOSA-N 412.519 1.698 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1760188224 NUAMFASOQIEBGE-BRSBDYLESA-N 422.551 1.224 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1760237281 CXJDNPSERDOCEA-UHFFFAOYSA-N 414.491 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CC=CCC2)CC1 1760267948 HMMLRRZGEZRTFM-UHFFFAOYSA-N 421.549 1.511 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)[C@@H](C)CCC)CC1 1760270533 QYJABRZRRZSMQJ-INIZCTEOSA-N 402.543 1.359 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760306108 BXEUGGAFXJEPIG-HZSPNIEDSA-N 410.316 1.938 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760321620 IOUSYJMQKOBGEY-OWSLCNJRSA-N 424.567 1.777 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760365999 NRUZHJULVDMBMB-CHWSQXEVSA-N 420.857 1.038 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2CC(F)(F)C2)C1 1760535028 KGOXHRQWCDULIF-TZMCWYRMSA-N 419.498 1.715 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCCS(C)(=O)=O)C1 1760545984 GBYQRFGXHOYZRG-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)CC)C1 1760546593 RJLGSCNYXPCHAJ-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OCCOC 1766312176 UEVJGPMCXWBVOV-IBGZPJMESA-N 404.446 1.725 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1770674874 NNJQGCILQOZHDX-UHFFFAOYSA-N 421.461 1.457 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1771187942 KANFFPYHDGGYPH-QRWLVFNGSA-N 417.489 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1772659911 QVJTXFVNIVLINV-MRXNPFEDSA-N 421.910 1.928 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)Cn2cnc3ncccc3c2=O)CC1 1848726236 BWCFHXVHPUBQEC-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE COc1cc(OC)c(CCC(=O)N(C)C2CN(c3nccnc3C#N)C2)c(OC)c1 1849797072 SMNWDKHGZIZZEH-UHFFFAOYSA-N 411.462 1.654 30 10 HDEE COCc1c(C(=O)NCC#CCN2CCCCC2)nnn1-c1ccc2c(c1)OCO2 1850617303 AUAOJYFSZWBALE-UHFFFAOYSA-N 411.462 1.362 30 10 HDEE C#CCCN1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850744132 HEUKSLGYLUFPMF-UHFFFAOYSA-N 401.891 1.315 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2cc(C)ccc2C)C(C)C)CC1 1850788696 ZGCJRFSGNDZOEJ-FQEVSTJZSA-N 405.564 1.774 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1ON2CCCC#N 1851502122 PEJUKVNNTNTCIL-QZTJIDSGSA-N 409.442 1.793 30 10 HDEE COCCn1cc(C(=O)N2C[C@@H](C3CCN([C@H](C)CCC#N)CC3)CC2=O)cn1 1853902172 YWDVXCLNVKMHGM-AEFFLSMTSA-N 401.511 1.922 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cccc(OC(C)C)n2)C1=O)[C@@H]1CCN(C)C1=O 1854211394 VHTVZCPZWQSMAP-SJORKVTESA-N 400.479 1.329 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1854292092 VTYQMYROJRDUCS-LJQANCHMSA-N 404.474 1.609 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(Cl)nc3ccccc23)CCN1S(=O)(=O)CC#N 1854759720 AYWACBRCEADCHZ-NSHDSACASA-N 406.851 1.414 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@H]1C 1854788526 IPGWVPQOJLUSRV-ZBFHGGJFSA-N 424.523 1.080 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCc3c(ncn3C)C2)CCN1Cc1ccc(C#N)cc1F 1854995418 GMEFMGIJWJAQKY-HOCLYGCPSA-N 409.465 1.795 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 1855703799 CYEXFKXVZTXFTE-CABCVRRESA-N 402.882 1.913 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cc(Br)cs3)C2)CC1=O 1856641907 YRPCPFHFKMWTMX-ZDUSSCGKSA-N 411.325 1.669 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@H]1CCS(=O)(=O)C1 1856708076 OZVDQONDFIKDHG-AWEZNQCLSA-N 423.922 1.656 30 10 HDEE CCc1nccn1CC1CN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857324656 MQIYREZUCLNVEH-MRXNPFEDSA-N 406.490 1.723 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1 1860936460 PBAYRMRULYLCPQ-ZDUSSCGKSA-N 424.288 1.670 30 10 HDEE C#CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCCCC2)cc1=O 1870560509 ZGVWJGTWFGXUHG-UHFFFAOYSA-N 415.515 1.542 30 10 HDEE C=CCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540977 MJJDVINAZLTMDB-ZIAGYGMSSA-N 400.483 1.688 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1890776200 ZJNAZZIHVRSLKH-IBGZPJMESA-N 403.548 1.643 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)c2cccnc2N2CCOCC2)CC1 1891178605 FKESDAFXXLXDPS-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2010406390 UGFUESYSVMMUSN-MIFYACCESA-N 422.331 1.909 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015326543 NCRDPJFBWDXOMT-UHFFFAOYSA-N 423.319 1.417 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(C)C[C@H]2C#N)C1 2124737714 WEEZNRUKJQLRLL-LVCYWYKZSA-N 400.479 1.469 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)CC12CC(C#N)(CO1)C2 2195264216 GQLPAZANTJMPJA-OSSATUEASA-N 402.469 1.230 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCCC[C@@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2236960163 QKHCKBJPTDNANA-FTLABTOESA-N 402.513 1.680 30 10 HDEE CON(CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243386725 GPBTWAMJKAHIHZ-UHFFFAOYSA-N 410.280 1.237 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402626 KVCVRQFDDHTABB-AAEUAGOBSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2244546412 LARZBIKNFMSZAZ-LDTOLXSISA-N 408.304 1.546 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2247845944 XTJVYBKJTFGPDU-KBPBESRZSA-N 422.287 1.289 30 10 HDEE C[C@H]1CSC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267466643 DUEZOGPUZDQJRP-WDEREUQCSA-N 404.388 1.613 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282025337 NINXWPVFPYJKDH-NSHDSACASA-N 402.347 1.385 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C[S@](C)=O 2282322727 QDQFJMFFBRZWML-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSC(F)(F)F 2282341609 VIZCVQWZVYVMGC-UHFFFAOYSA-N 415.268 1.251 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2282401748 WBABVZUROVROSD-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCC[C@H]3O)c2)OC1(C)C 2282414897 YWNYKOBUGABTHD-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC(C)SC[C@@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502655 OGXILMDYDKJGLS-GFCCVEGCSA-N 403.379 1.528 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(C)CCCCN2)OC1(C)C 2282509051 FJWNZQKJVOOEKR-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2COCCO2)OC1(C)C 2282861921 WCPNRFVQRANHSD-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866287 GWXNNZFAXIBUMJ-GXTWGEPZSA-N 401.359 1.986 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2(CCO)CC2)c1B1OC(C)(C)C(C)(C)O1 2282867390 YDNBGWIPHUNSQY-UHFFFAOYSA-N 401.359 1.857 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CN[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282871329 FGJLASRYBODKPM-ZWNOBZJWSA-N 400.375 1.693 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]3C3OCCO3)c(O)cc2O)OC1(C)C 2282985660 GKDDZTUWSZRBIS-CQSZACIVSA-N 405.256 1.375 30 10 HDEE C=C[C@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284400306 UZRUMVDBFNOMIE-ZDUSSCGKSA-N 401.677 1.557 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CC(F)F)C(=O)O)c2)OC1(C)C 2284408035 RSQYXODRHLYYMP-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCC#CBr)(C(=O)O)C[C@]12CCOC2 2306581097 AKTDURMKLXNNQO-HOTGVXAUSA-N 403.273 1.555 30 10 HDEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 2314522452 JRCQAYVJSIKBBR-FQEVSTJZSA-N 409.442 1.985 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1 2342050905 IECUDOGDUPNCDS-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3C[C@H]3CC(=O)O)c2)OC1(C)C 2360937708 GBCYEZZLJOOBKM-WDEREUQCSA-N 401.315 1.436 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363703321 GFDQDLCXAATTIA-GDBMZVCRSA-N 413.565 1.719 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)c1c(Br)c(Br)nn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c1cc(Br)cc2c1N([C@H](C)C(=O)Nc1c(C#N)cnn1C)C(=O)C2=O 16893378 IQVFFSMNMZPLNY-SECBINFHSA-N 416.235 1.919 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3ncccc3C(=O)NC[C@H]3CCCO3)CC2)c1 22648416 UMLBXBXNXIPEJK-LJQANCHMSA-N 419.485 1.824 30 10 HDEE C=CCON1C(=O)C[C@@H](C(=O)OC)C12CCN(Cc1cccc3c1OCO3)CC2 72158259 WXRPLWRUVRUZMA-INIZCTEOSA-N 402.447 1.889 30 10 HDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)/C(CO)=N/O 77319414 BVBBLSHJIAJHSQ-SGFUPJNNSA-N 406.479 1.051 30 10 HDEE in-vitro C[C@H](C#N)CN(C)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 409478495 MUXAGHKQXOGKSZ-QSGSBWRWSA-N 402.879 1.677 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435408244 RWENQRAYULNIMQ-XJKSGUPXSA-N 412.471 1.467 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@@H]1C 460385579 GHBNZOGGTNIQPA-LSDHHAIUSA-N 413.544 1.191 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCN(CCOC)C(=O)C1 469688170 SSBLKFOTMYWKFX-UHFFFAOYSA-N 419.526 1.132 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccnn3)CC2)cc1 480956961 JAEXDSVLROIXMD-CQSZACIVSA-N 400.464 1.516 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 482363801 POJSVLVUJZWXSJ-JSGCOSHPSA-N 403.508 1.323 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)C2=O)cc1 488273864 RFTCCEQHEPAGQV-VQTJNVASSA-N 423.517 1.703 30 10 HDEE Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2cnc(C)c(C#N)c2)c(C)s1 489683203 WZXAPXMXKZRKAV-UHFFFAOYSA-N 414.534 1.197 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Br)cc1 499406635 RDYLVAVLZWTWAT-ZDUSSCGKSA-N 405.252 1.995 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cccnc4)CC3)cc2C1=O 502931011 NWLHVINTGRDGLY-UHFFFAOYSA-N 404.426 1.462 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1S(=O)(=O)NCC#N 514444944 QUYCHTAJPNDYAI-WMZOPIPTSA-N 421.519 1.094 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 518045468 PTFFBBCCZRVBHU-PBHICJAKSA-N 409.442 1.766 30 10 HDEE N#C[C@@H](NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 520888194 GKAYWVAUHHFLAH-MRXNPFEDSA-N 407.492 1.715 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ncccc2C#N)CC1 525249050 UINNZMVMMROCDV-SFHVURJKSA-N 422.508 1.952 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(C(=O)NCC(F)(F)F)CC2)c1 533147389 QLWSYNZITBROJM-UHFFFAOYSA-N 403.426 1.722 30 10 HDEE CCOC(=O)CC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534096730 GLOSNMSHBZWMDI-OAHLLOKOSA-N 422.507 1.306 30 10 HDEE CC(C)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(O)n1 537147571 VYNNYFOHZAROTR-UHFFFAOYSA-N 414.487 1.929 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541101243 LPJLSXSVXJUKGE-AWEZNQCLSA-N 422.898 1.943 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 544840546 YZZXLYZEFBXLKP-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE N#CCCCOc1cccnc1NC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 558776466 IUXSWLNDGNVKIR-UHFFFAOYSA-N 407.496 1.796 30 10 HDEE N#Cc1ccc(OC[C@H](O)CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 561950433 IOCINFNEMKVJLT-CEXWTWQISA-N 407.470 1.807 30 10 HDEE COCCN(CCOC)C1CCN(C(=O)c2cc(C#N)c(SC)nc2O)CC1 582139682 WPFHEZWHHPAPIX-UHFFFAOYSA-N 408.524 1.580 30 10 HDEE Cc1ccn2cc(CNC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)nc2c1 585774120 GNKGYYVFQADSFP-UHFFFAOYSA-N 417.473 1.311 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c(F)c1 586864154 MOORPMRMHKUERP-UHFFFAOYSA-N 422.460 1.869 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 613980996 UCHLREJMXNOXNR-ROUUACIJSA-N 415.494 1.674 30 10 HDEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669815753 JLMXJHLKUDILRX-UZLBHIALSA-N 409.538 1.823 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 685546082 WKHGCBSGWRCDFZ-HIFRSBDPSA-N 403.508 1.625 30 10 HDEE C#CCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@@H]1CCS(=O)(=O)C1 729332406 WPRVXRHMEJDOBQ-QGZVFWFLSA-N 422.462 1.750 30 10 HDEE C#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 731638428 IKXWXCCBADWQRQ-BHIYHBOVSA-N 418.515 1.747 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H]3CCCN(c4ccn(C)n4)C3=O)cc2C1=O 741826319 PNVRWZLCILLIRN-MRXNPFEDSA-N 408.414 1.555 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(-n3cc(Br)cn3)nn2)CC1 749361925 DMCHWFJDYOLRTN-UHFFFAOYSA-N 417.267 1.026 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 750046323 YLEYBRVQDFMKOT-UHFFFAOYSA-N 424.482 1.488 30 10 HDEE CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 752443204 HVDMCPVLPLGBFT-HLAUDOPJSA-N 405.476 1.272 30 10 HDEE C#C[C@@H](CC)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 754354777 VQFYJIRPYBAKNJ-LBPRGKRZSA-N 401.282 1.330 30 10 HDEE CC(C)N1C(=O)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1(C)C 758757483 GLJDYCHJMYHRFJ-CABCVRRESA-N 407.515 1.786 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ncc(C#N)s1 759631489 HMDPDPKCHYQJMN-AWEZNQCLSA-N 422.488 1.683 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(OC(C)C)cn3)CC2)o1 769406887 AGBSLPOKOOUOQP-UHFFFAOYSA-N 413.434 1.543 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCc2cnn(C(C)C)c2C1)c1cc[nH]n1 772277514 BQVODLJHGBJPQU-AWEZNQCLSA-N 402.455 1.145 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 773574282 MZBMHINRSDLPNT-NVXWUHKLSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 774198172 UFMHHSDMWPVGDL-KRWDZBQOSA-N 405.451 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)C1 777204053 FRLJHILVQBAMJV-QGZVFWFLSA-N 403.435 1.654 30 10 HDEE N#C[C@H](C(=O)CN1CCN(c2cc(C3CC3)[nH]n2)CC1)c1nc(O)c2ccccc2n1 778208359 KEUOUUSABNVZNM-MRXNPFEDSA-N 417.473 1.934 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 781348647 LVYNIIGCXWYZIB-UHFFFAOYSA-N 412.512 1.005 30 10 HDEE CCS(=O)(=O)CCn1cc(C)c(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n1 782558568 QYWWSOJVBWBYCY-UHFFFAOYSA-N 416.912 1.952 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)n1 789191244 BRXYKFVTUOVEEK-UHFFFAOYSA-N 400.458 1.619 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1 790232643 GZCKOWXZNLODQD-IBGZPJMESA-N 408.433 1.846 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCOCC2=O)c1 790845173 JZQRMLNNITXBDI-HEHNFIMWSA-N 422.507 1.077 30 10 HDEE COC(=O)c1[nH]c(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)cc1C 799881981 YLHQNDYXNTWGDY-UHFFFAOYSA-N 406.464 1.577 30 10 HDEE Cc1cc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)on1 800847792 LLOGWAHBJPRXOE-FXBPSFAMSA-N 406.464 1.951 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 806535100 MWMSQFIAKJIBSS-IAGOWNOFSA-N 420.473 1.584 30 10 HDEE C#C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)cc1 812748632 RAJMSHKSLNNYLD-IBGZPJMESA-N 417.462 1.943 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(C#N)c(Cl)n3)cn2)CC1 1126004058 UTOPIGUZUOEKAD-UHFFFAOYSA-N 420.882 1.336 30 10 HDEE COC(=O)[C@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@@H](C)n1cnc(C#N)n1 1133147581 XOLIBXJGLRNFRZ-MFKMUULPSA-N 411.340 1.510 30 10 HDEE COc1cc(N)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1S(C)(=O)=O 1136537595 ORKNLGBJDYMOPU-UHFFFAOYSA-N 414.487 1.515 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nnn(-c3ccccc3)c2C(F)F)CC1 1136632791 MHJIDKHJZKDGDF-UHFFFAOYSA-N 416.432 1.102 30 10 HDEE N#Cc1cc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cs1 1137921993 BXNSRGMHDKCWPY-UHFFFAOYSA-N 405.457 1.194 30 10 HDEE CNC(=O)N[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1138111077 HTUFNHZCOHGRSV-YCTJDYOESA-N 405.499 1.303 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cc2n(n1)CCCC2 1144035025 KGLQNXINUXPCRB-ZDUSSCGKSA-N 401.492 1.525 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)nc1 1148398171 QLUGVJPOOUBWDA-UHFFFAOYSA-N 412.538 1.596 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCC(=O)c2c(C)cc(C)cc2C)CC1 1152967532 KNKPDEXAXAXEAT-UHFFFAOYSA-N 419.547 1.577 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C/c2ccccc2)C(F)(F)F)CC1 1152968127 ZWAPTQCGUMJNOI-SQFISAMPSA-N 401.410 1.244 30 10 HDEE C=CCNc1ncc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)s1 1158669507 HEOOKKUKBKMTIO-JKGQDXBKSA-N 413.521 1.370 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](N(C)C(=O)N(C)C)C3)ccc2c1=O 1161689463 JGUFPGQFJZIMMJ-AWEZNQCLSA-N 415.519 1.699 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1203383887 AHIAQTUJNLRLSM-NSHDSACASA-N 418.397 1.958 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CCN(C)CC1 1231110283 UUAROASCJJEZQY-VXKWHMMOSA-N 423.561 1.324 30 10 HDEE CC(C)n1cc(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c(O)nc1=O 1233990764 KRIAZBVBOYPZFT-UHFFFAOYSA-N 421.461 1.801 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1286471133 HAHBYDLXGHCGQQ-WFXMLNOXSA-N 405.543 1.308 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCCn2cc(Br)cn2)CC1 1286478412 FKNVLWHPGJAIFA-UHFFFAOYSA-N 406.332 1.645 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCOCC2CCOCC2)CC1 1286483296 FWMWDMRKHBYSMC-UHFFFAOYSA-N 401.555 1.819 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1286549193 WCBJXIVARDQFIM-XHSDSOJGSA-N 406.531 1.216 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286633144 UNVBJFICTIKTGP-UHFFFAOYSA-N 415.885 1.537 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1288234320 VFJVSLSUVYBSRS-UHFFFAOYSA-N 407.478 1.152 30 10 HDEE CCC(O)(CC)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1292294112 RWKCGJXZJMOMLH-OXQOHEQNSA-N 407.515 1.599 30 10 HDEE C#CC[C@]1(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)CCCN1C(=O)OC(C)(C)C 1292514195 FTIZSPTZKICAOF-JBYIUTFZSA-N 405.539 1.837 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1297029270 DWZVHBAWNWBACK-SJORKVTESA-N 406.479 1.983 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1297372763 CYBNLKUOYMYCNI-IBGZPJMESA-N 413.522 1.503 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1300309322 SOGNYIHMVFJZHM-CRAIPNDOSA-N 402.520 1.833 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1300309990 WGEMONMPHCEKAR-HRCADAONSA-N 402.524 1.097 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C[S@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300482421 FKLVKVAFZVAWEM-CLYVBNDRSA-N 420.560 1.140 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1300613812 QHGWGQXXPWXPLZ-UHFFFAOYSA-N 405.405 1.557 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CS(C)(=O)=O)CC1 1300642032 MZPNNZSHNRAZKX-HOTGVXAUSA-N 410.540 1.286 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1nnc2n1CCCCC2 1300672961 CIXJFDSSNGMDGM-UHFFFAOYSA-N 420.521 1.716 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@](C)(O)C(C)C)CC1 1300682851 SIRXHLRCXUFWPO-OAQYLSRUSA-N 411.510 1.088 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCCN2CCC)CC1 1300696334 YJVJHFUVSBQVFO-HXUWFJFHSA-N 410.570 1.698 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300764576 XYMVEPAKBFCNDI-ZWKOTPCHSA-N 416.551 1.559 30 10 HDEE C=CCn1c(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1301474048 RYTRPOSBKMBJCD-DYVFJYSZSA-N 417.432 1.621 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1301520763 OGXWGHFGZUEAID-MRXNPFEDSA-N 420.514 1.346 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CCO1 1301898850 GXCSYDCCRJIVFX-LJQANCHMSA-N 412.494 1.321 30 10 HDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1302502027 AVPBBMOGNOCZEU-HRAATJIYSA-N 412.494 1.447 30 10 HDEE Cc1ccc(-c2nnc(N(C)[C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)o1 1304298735 PUTDKVDVEBOJMF-CYBMUJFWSA-N 401.448 1.983 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCS(=O)(=O)C2)cs1 1304653039 UUAMAZBRHMNJDE-TZMCWYRMSA-N 408.553 1.807 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1305176552 SPSWOPKBLYNCNL-VAKVLEPSSA-N 414.510 1.791 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305637109 FBFPGQIGINWEEV-GDBMZVCRSA-N 422.555 1.225 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3ccccc3)c(C)n2)CC1 1310824619 IHCKSYSHGHTWTE-UHFFFAOYSA-N 413.503 1.674 30 10 HDEE N#Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1316530465 IWHPYUALSNLKSN-UHFFFAOYSA-N 421.461 1.248 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3cc(C#N)ccc3Cl)c2)NC(=O)NC1=O 1324106118 HHSCYWZCPZEHQN-SFHVURJKSA-N 418.862 1.745 30 10 HDEE COCCNC(=O)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1352507324 TWFQWAGRMLSKFL-QGZVFWFLSA-N 424.542 1.965 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358960531 GSQMIIUTXQBIOG-IAGOWNOFSA-N 415.519 1.393 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1358961148 SGTKWNMPUJIHCS-HZPDHXFCSA-N 421.498 1.260 30 10 HDEE C#CCN(c1nnc(CC)n1CCC(=O)Nc1ccccc1)[C@H]1CCS(=O)(=O)C1 1358963986 QYCLGEKORLRFOW-KRWDZBQOSA-N 415.519 1.496 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1359097568 QIZITRFLMIWQGB-UXLLHSPISA-N 422.555 1.529 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1359098656 DHOAWZBZYMRSIS-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(C)=O)CC1 1359265699 KRCAKMBSVMUGQN-UHFFFAOYSA-N 400.527 1.951 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2nc(C)no2)CC1 1359299456 FXNZIYLQKRNVOD-INIZCTEOSA-N 415.498 1.550 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H](CC#N)c1ccccc1)CCS2(=O)=O 1439953575 QMXNVNLBOPDRAP-ZEVUXNIQSA-N 404.488 1.699 30 10 HDEE N#C[C@H](NC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1440866518 KNYIGTRQBMVSHU-HOTGVXAUSA-N 411.842 1.499 30 10 HDEE CN1CCC(N2CC[C@@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 1443743722 RUJQSQCUMBOULB-LJQANCHMSA-N 418.582 1.922 30 10 HDEE N#Cc1cn(CC(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c(=O)nc1O 1448050622 ANUAKRUPFZKZBD-UHFFFAOYSA-N 402.823 1.555 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 1448851424 ULUQXAXOIZUMSF-VGSWGCGISA-N 413.474 1.666 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H]3OC(C)(C)O[C@@H]3C2)s1 1456528379 GDGUMPMGTFMHBM-DEZZGGKRSA-N 400.522 1.554 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4ccnn4C)CC3)ccc2c1=O 1457228738 UZURXQRHYSPALC-UHFFFAOYSA-N 424.530 1.563 30 10 HDEE COc1cc(C)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463164272 QTJWWICNDNRMSA-MEDUHNTESA-N 413.293 1.777 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CCN3CCCC3)CC2)CC1 1463753783 WTJUPZVGXRNTPB-UHFFFAOYSA-N 418.582 1.877 30 10 HDEE Cc1cc(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)n(CCC#N)n1 1464376281 HGISNUSFIYACNV-OAHLLOKOSA-N 418.498 1.807 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1C(=O)NCCC(N)=O 1464766091 BJWUIUCRWMORFU-MRXNPFEDSA-N 416.478 1.537 30 10 HDEE COC(=O)C[C@H](C)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1465736586 OQJSXQPIBWQXLA-HOTGVXAUSA-N 410.515 1.669 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1 1471450475 AOYGQQMIHKMLLQ-UHFFFAOYSA-N 417.512 1.533 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cn(C3CCOCC3)nc2C)cc1 1471502526 AGDSCSUBGVSEPZ-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1471688900 YYOJJKHPNSTOIK-QEJZJMRPSA-N 407.492 1.462 30 10 HDEE C[C@](C#N)(NC(=O)Cn1cc(Cl)cc(I)c1=O)C1CC1 1473032782 BKLZTSCELQGATB-CYBMUJFWSA-N 405.623 1.915 30 10 HDEE CN(C)C(=O)O[C@H]1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1 1475318465 FZAOUJUKJRKUTG-LBPRGKRZSA-N 402.270 1.782 30 10 HDEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1504778169 BXKWEGRYHBEXBX-SFHVURJKSA-N 424.505 1.538 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1CCN(C(C)=O)CC1 1507712063 BTXGVXAUXMHSJJ-IBGZPJMESA-N 403.527 1.864 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)CC)CC1 1507724564 SIPYYPAAGGNLEU-UHFFFAOYSA-N 419.526 1.198 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)C)CC1 1507739684 UATCHQDLPAWFKY-QGZVFWFLSA-N 421.567 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCCC2)CC1 1507743012 VQOKXEDLNPILQH-UHFFFAOYSA-N 422.533 1.535 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C 1507761308 LQDZZHUDAQQMDS-VLCRHTCISA-N 417.554 1.643 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(Cl)=C(Cl)C1 1508059876 ZVMFTKDXTCXLBN-CYBMUJFWSA-N 422.338 1.696 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@@H]2C)CCOC1 1508413794 VWUFGXBOIJZROD-LQWHRVPQSA-N 420.558 1.635 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1=O 1515884500 KFOUWTKUZRRZCN-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE CO[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)C 1517808410 DPNLWEFESQREAC-ZBFHGGJFSA-N 412.560 1.689 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1518959110 GZOFRCAVWPUFTI-YADHBBJMSA-N 424.505 1.321 30 10 HDEE C#CCN(C(=O)Cn1c(-c2ccccc2)c(C)sc1=O)[C@H]1CCS(=O)(=O)C1 1520935733 XTCPEYKQIAJKGI-INIZCTEOSA-N 404.513 1.534 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)O1 1535272911 HQZDZVMKIBRXHA-JYJNAYRXSA-N 410.515 1.716 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC(C)C)CC1 1538949200 YGQZJQOPDINAFX-KRWDZBQOSA-N 410.559 1.905 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1539065067 BGLNFSUKERQQTO-LJQANCHMSA-N 416.570 1.970 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F 1539260813 VGFPNPGDCFNVAR-HNNXBMFYSA-N 401.392 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1nnc(C)s1 1539285574 LCTKNBQWMLUYAD-UHFFFAOYSA-N 402.487 1.798 30 10 HDEE C=CCC(C)(C)Cn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539916318 JRJFOMCUTFJGPO-INIZCTEOSA-N 400.527 1.685 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C#N)c1ccccc1Br 1540032883 UJXUOZUWUWMLTB-UONOGXRCSA-N 400.298 1.944 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1540470809 FNLJWUQTGWODED-RBUKOAKNSA-N 404.536 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C1CCC2(CC1)OCCO2 1540867816 JBBAIBYFEKJDNG-UHFFFAOYSA-N 414.510 1.708 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC2(C1)OCCO2 1541806798 SRKHRBDPTWLGBT-JKSUJKDBSA-N 402.499 1.682 30 10 HDEE Cc1noc([C@@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)n1 1543417412 CKOJJDCIMUWBHB-QGZVFWFLSA-N 420.477 1.980 30 10 HDEE COCCOCCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555715769 HDIGZLIEDVFEOC-SFHVURJKSA-N 413.526 1.513 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3oc(=O)n(C)c3cc2F)cc1 1556953421 CHZALPGHDPJVQC-UHFFFAOYSA-N 403.391 1.434 30 10 HDEE C#CCOc1ccc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1557125186 VOCQHODKCJGQNL-UHFFFAOYSA-N 412.511 1.859 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](c2ccc(F)cc2)c2ncc[nH]2)cc1 1557513891 QKZORPUVYZGBPF-GOSISDBHSA-N 413.434 1.605 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1cc(Br)ccc1F 1561574802 FQUMTKHQOSCVPY-LBPRGKRZSA-N 422.320 1.809 30 10 HDEE C#CCN(C(=O)NCC1(c2ccccc2)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1565249084 OYDQBEHSFMZBMB-IBGZPJMESA-N 403.548 1.482 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)Nc1n[nH]c(C)c1C#N)N2C(=O)OC(C)(C)C 1584800825 PGUTXSASBVVDTN-XDQVBPFNSA-N 403.439 1.715 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCN(C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1585660077 DEMSRTDDVWYXHF-ABSDTBQOSA-N 417.487 1.042 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(=O)NCC)cc1 1588074656 POWGCPLUYWOLEV-UHFFFAOYSA-N 418.501 1.385 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 1588141313 XONLMDAOINSAIN-PGRDOPGGSA-N 414.506 1.340 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1588646039 GIRPELFVFOVQAC-GOSISDBHSA-N 413.478 1.401 30 10 HDEE C=C(Br)Cn1c(C2CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1589394300 BLRKWMLVMQNNGF-GFCCVEGCSA-N 404.334 1.582 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1593884064 BFOGRZHYENWJPM-ZDUSSCGKSA-N 423.992 1.553 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1595530022 PYOAOEFCUROHKM-UHFFFAOYSA-N 423.477 1.388 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCNS(=O)(=O)CC)C1 1595722673 MSYGIAISXPRBDS-HZPDHXFCSA-N 413.544 1.240 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](OC)[C@H](OC)C1 1595789001 MMTBDAXTEJHYDV-CALCHBBNSA-N 421.523 1.099 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](C)C1 1595823544 PAJAEUCEAQIVAG-GASCZTMLSA-N 406.556 1.833 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCCN3Cc3cccc(F)c3)C2)c(=O)nc1O 1607497946 OBIKKUSEZBSNGA-SFHVURJKSA-N 411.437 1.398 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1612877410 BAQXZQYZFBCKLS-OYHNWAKOSA-N 420.473 1.984 30 10 HDEE CC[C@@H](C)c1nnc(N2CCOC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613345624 OSMSRJFUKDNSOP-ZFDMEJTGSA-N 402.499 1.933 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCn1cccn1 1614023656 FHEWSVFBNRTMHS-UHFFFAOYSA-N 408.514 1.368 30 10 HDEE CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1615181722 HBBSISVPHWEYAM-MRXNPFEDSA-N 418.523 1.609 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(C(N)=O)CCCC2)CCOC1 1616184872 DCIISMCDKMOYDF-NRFANRHFSA-N 416.526 1.716 30 10 HDEE CCOCCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1617230778 PPNBLCDEZKWPOM-KRWDZBQOSA-N 414.510 1.844 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2csc(C)n2)nnc1N1CCC(C#N)CC1 1617397930 CLAIQBJYKLRFCN-UHFFFAOYSA-N 423.568 1.313 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC2(OC)CCC2)CCO1 1618692897 GVXDNMAXXQWUDB-SFHVURJKSA-N 424.505 1.727 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cc1 1619160910 BICUYSAIRBWYRH-AWEZNQCLSA-N 408.466 1.845 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1619510899 PUQSIOACUKJFFJ-XNSRXUQDSA-N 416.526 1.963 30 10 HDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2c[nH]nc2C#N)C1=O 1623333484 UCXRKFXPWJEMAQ-MRXNPFEDSA-N 417.223 1.450 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)c2S1(=O)=O 1624137726 MYYMJLXOYSTJMI-ZDUSSCGKSA-N 424.280 1.274 30 10 HDEE C#CCN(CC(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1)C(=O)OC(C)(C)C 1625091054 YKEMOKFYLNAPCA-UHFFFAOYSA-N 415.556 1.566 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1626037978 WUGQVOQNBHVQLH-LBPRGKRZSA-N 402.469 1.162 30 10 HDEE CC[C@@H](C#N)C(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1627337275 DVSGJILTRZRNEO-ZDUSSCGKSA-N 410.496 1.978 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)c1OC 1627357841 ZKXYKBXTPZTWHX-IAGOWNOFSA-N 413.430 1.672 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1627414068 DJHRWVYABGJJAW-UHOSZYNNSA-N 418.902 1.955 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1629571372 KTVUQGKRUPIHQK-DGCLKSJQSA-N 401.286 1.045 30 10 HDEE CN(C)CCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 1630386269 RADIJHXIEQDHRE-PYCFMQQDSA-N 418.523 1.510 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc(C3CCC3)n2C)s1 1632647178 ITLYTIPCYPECKZ-UHFFFAOYSA-N 409.537 1.467 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccc(C(F)(F)F)cc3[nH]2)CC1 1632960979 RSMAXCASOTVRBH-UHFFFAOYSA-N 414.409 1.412 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc(Br)c3ncc(C=O)n3c2)C1=O 1635209347 CCGJCYAAPSVLDC-CQSZACIVSA-N 405.252 1.768 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C(F)(F)F 1636512683 OLSYOWKFACSZOE-ZUZCIYMTSA-N 404.414 1.667 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCCN(O)C3=O)s2)CC1 1637667492 GHYUDAAYIQLHAU-LBPRGKRZSA-N 401.510 1.279 30 10 HDEE C[C@@H]1C[C@@H](C)N(C(=O)Cn2cc(C#N)c(O)nc2=O)C[C@H]1CNC(=O)OC(C)(C)C 1638460165 HYULYSXRUIXSPM-UMVBOHGHSA-N 419.482 1.218 30 10 HDEE C[C@H](CC(=O)Nc1ccc2c(c1)OCCN2C)/N=C1/NS(=O)(=O)c2ccccc21 1639255913 PQEXINKMOMAEII-CYBMUJFWSA-N 414.487 1.971 30 10 HDEE C=C[C@H](C)ONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1639673793 KOGLIPHOULOINK-AWEZNQCLSA-N 422.507 1.149 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)COc2cccc(Br)c2C#N)CS1(=O)=O 1640931625 GVYVEJUUXQWHDB-WDEREUQCSA-N 401.282 1.781 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CCO)c1ccc(Cl)cc1)c1cc[nH]n1 1641789405 WHOBBCQXSWVVGH-AWEZNQCLSA-N 408.842 1.587 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)CC1 1641976297 CBENXJZIDBBJOQ-UHFFFAOYSA-N 406.485 1.855 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCC2(S(N)(=O)=O)CC2)nnc1-c1ccco1 1643507460 PMRIOHKADJWJQI-UHFFFAOYSA-N 411.509 1.144 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(S(=O)(=O)NCCOC)cc1 1644595805 DFLSTEVRQZRQCA-UHFFFAOYSA-N 410.492 1.028 30 10 HDEE Cc1cc(Br)c(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)s1 1648028821 PFGCGWWOYHLJIC-UHFFFAOYSA-N 409.265 1.579 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)COc2ccc(C#N)cc2OC)c1 1648305878 OYPLNUKGLSIHJT-UHFFFAOYSA-N 419.459 1.509 30 10 HDEE N#Cc1cccc(NC(=O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c1 1648565541 ORUUBUKKYMVDQE-GDBMZVCRSA-N 401.410 1.938 30 10 HDEE COc1ccc(-n2nc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2C)cc1 1648790494 KRMDFANJWPRGCU-UHFFFAOYSA-N 406.402 1.020 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCC[C@@H]1N1CCC(O)CC1 1650739536 NIFTVJIOCRPIHR-PMACEKPBSA-N 410.522 1.644 30 10 HDEE CCOC(=O)c1ncn(C2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)c1N 1654136767 NCXFJBBXEDTEEI-JLTOFOAXSA-N 404.515 1.722 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1655827764 SDRFOSORPGNFHH-QGZVFWFLSA-N 421.519 1.142 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2OC)C1 1665457095 GMLIGDYMGOCDFS-LLVKDONJSA-N 405.289 1.973 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OCC 1669267403 MUJLSCCIZFOMEW-CYBMUJFWSA-N 419.297 1.724 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 1671459081 MGYXSEOAYIRSEP-GFCCVEGCSA-N 417.325 1.842 30 10 HDEE CC(C)(C#N)CNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1671545764 QAZPEJBTHZCUFX-ZDUSSCGKSA-N 402.517 1.260 30 10 HDEE C=CCc1cc(CNC(=O)Nc2ncn(CC(=O)OCC)n2)cc(OC)c1OC 1672511336 IQNDPQBKQKGDOO-UHFFFAOYSA-N 403.439 1.909 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)C1=O 1675362130 QHZWUOBUSMQVEH-OAHLLOKOSA-N 418.498 1.926 30 10 HDEE C=CC[C@@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1675890689 IKCMOEGTFTUHHV-QGZVFWFLSA-N 407.536 1.956 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1682360253 MTUOKCLGSVXHNK-MRXNPFEDSA-N 413.540 1.608 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1689907603 DTHPKVGJTJUJNL-RTBURBONSA-N 414.554 1.475 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccn(Cc2ccccc2)n1 1689998427 LTMNCYSAWFUQMM-UHFFFAOYSA-N 415.501 1.782 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1690005214 VYHOOXYNYBCYDO-UHFFFAOYSA-N 413.503 1.062 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)O 1690013515 RSKFILBWHMVNTH-UHFFFAOYSA-N 404.474 1.519 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690077374 NGJLFOUVTBVBSC-KZNAEPCWSA-N 423.583 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC(=C)Br 1690092737 TZGVZJYCWUWRGS-UHFFFAOYSA-N 419.283 1.920 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)COC)CC1 1690317166 TVQIZZWEVKNNJI-UHFFFAOYSA-N 405.543 1.899 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1690526699 BYSXDHYYQPLNLP-YFWYWMRJSA-N 417.535 1.947 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCCO 1691003717 KWOXEGNFHBQKDE-QAPCUYQASA-N 401.467 1.785 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCn1cccn1 1697926084 GTCVKYAMPGWNSO-OAQYLSRUSA-N 409.494 1.937 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1705475931 WYUADYKUBYSEGE-CQSZACIVSA-N 416.507 1.208 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705532496 OLKJFLDHMNRIPP-DLBZAZTESA-N 419.526 1.925 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccnc(-n2cccn2)c1 1705581988 PWLCXBCUNUGJSX-IBGZPJMESA-N 401.474 1.874 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cn(CCCC)nc2C)CC1 1705637631 FPXZPLLPAKLCAF-UHFFFAOYSA-N 421.553 1.787 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCSCC)CC1 1705644131 YSIMYVIIYOAHAN-ROUUACIJSA-N 407.584 1.901 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705653008 WEMUWXJRLMMNIP-MRXNPFEDSA-N 405.568 1.914 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705734291 JXRMNOOFFNPCFO-KRWDZBQOSA-N 402.499 1.218 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705734555 SPYNJECDUBPSEQ-PKOBYXMFSA-N 415.542 1.428 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(NC(N)=O)cc1 1705883717 SBHVUDDZQTVXRL-UHFFFAOYSA-N 408.466 1.913 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1706072584 FMQYAOULZYTCAW-ZBFHGGJFSA-N 405.466 1.454 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCOCC2)cs1 1707761119 HAUMROBUZNHEAD-QGZVFWFLSA-N 417.539 1.085 30 10 HDEE Cc1nnc(N2CCc3c(F)ccc(F)c3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707892418 VDBXKYZUINQXCK-VHEBQXMUSA-N 414.416 1.954 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1709830649 UUMYHOYCOHYTLW-ROUUACIJSA-N 421.505 1.448 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1710104728 XODOWWVQLIJTKD-ZPHPHTNESA-N 410.482 1.441 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCC(=O)NC2CCCCC2)CCO1 1712883890 BQCYUYMXXQRZNC-SFHVURJKSA-N 409.494 1.908 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1722360322 GHMFSLFEQSVVNB-HOTGVXAUSA-N 403.508 1.327 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN(C(C)C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368446 RSJORSICCBYPKE-GOSISDBHSA-N 409.600 1.976 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@@H]1C 1722389702 KVULATAXSQVWLM-IIBYNOLFSA-N 409.446 1.856 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1722414279 ZBPOXLZGUHXGLG-KRWDZBQOSA-N 412.519 1.759 30 10 HDEE C=C(C)Cn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1722526121 ORCQHCSRHIQVPX-NRFANRHFSA-N 420.558 1.153 30 10 HDEE C=CCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691680 YTTRDQMEHGBITA-NRFANRHFSA-N 418.542 1.843 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnc(C)s1 1722692609 SQRIGRDIVCONQA-UHFFFAOYSA-N 403.512 1.218 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCCS2(=O)=O)C1 1722711713 HJMYTJJIQSECAQ-IRXDYDNUSA-N 420.539 1.427 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722742665 BQBHBWDKNDONAZ-UONOGXRCSA-N 407.496 1.434 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCOCC(F)F 1723934020 WCHOXHIAIHUDMV-GFCCVEGCSA-N 420.486 1.300 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1723976662 CZYQWLAQPSTRJJ-KGLIPLIRSA-N 424.502 1.845 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1729076580 CAFVGKWSXJXSKZ-CVEARBPZSA-N 408.503 1.704 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1740549089 KSTBCONJQSWQAN-SQGPQFPESA-N 411.506 1.969 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C)CC1 1740590909 KQLWSSLCGREGRA-SJORKVTESA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1740616108 SMIHWINXSUNJTD-KRWDZBQOSA-N 419.551 1.497 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C(C)C 1740635936 SHXYLEXXOLNRJG-NRFANRHFSA-N 404.478 1.401 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740644214 XAFAMSDKYHEMPW-SFHVURJKSA-N 412.515 1.673 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCOC1 1740722501 BWDFTOISVAZIEO-XMSQKQJNSA-N 415.538 1.949 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740887018 ZVJSLOKGHCCYND-UTKZUKDTSA-N 419.526 1.377 30 10 HDEE C=CCn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740949711 PTVQZUFZCUMEPE-HXUWFJFHSA-N 417.489 1.760 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCCN(c2nc(C)ns2)CC1 1740952319 ZXNBYVVBFOHEKX-CQSZACIVSA-N 418.571 1.970 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1741001351 RUDMOSDKSDLXMS-MRXNPFEDSA-N 406.556 1.596 30 10 HDEE Cc1cccc(O[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)c1 1742145576 AXYKQSVOPMMGMM-PKOBYXMFSA-N 424.505 1.905 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CSC)c1 1748772414 NPGRGIKRJPWQJX-CQSZACIVSA-N 407.565 1.869 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1748772734 PMDZBFXNDAKFBP-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCOC1 1748777030 WHXICFHSOALWOO-INIZCTEOSA-N 417.535 1.691 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748799524 IYYTZKLMQRNGMS-HNNXBMFYSA-N 406.483 1.890 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1749158318 GYRPNOPJIIJJGE-AWEZNQCLSA-N 409.512 1.765 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1749330561 HFEKMHNRCWBDHK-LEWJYISDSA-N 405.543 1.399 30 10 HDEE C=CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1749440065 QNMFOMJDUMOCRI-WWMYMODYSA-N 403.527 1.859 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1749454943 NDUKUZQXOHXZOO-UHFFFAOYSA-N 401.471 1.606 30 10 HDEE C=CCCOCCn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)CC1 1749461949 YPGTZGFPOOSITO-UHFFFAOYSA-N 403.458 1.915 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1749475402 DWAOWHKDAGKHOG-CQSZACIVSA-N 404.492 1.773 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1749475907 SYZCRDUACYPWHS-UHFFFAOYSA-N 411.466 1.796 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C12CCC2 1749663625 KVBLUPXSPXVLRP-DLBZAZTESA-N 413.526 1.765 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749741026 NJXAUAOLHBJLFM-HNNXBMFYSA-N 420.583 1.831 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1749978576 GPPYFFFOQQLOQO-GOSISDBHSA-N 418.505 1.951 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760136522 YBMKRRCJTSIDIQ-INIZCTEOSA-N 419.555 1.248 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1760187467 JVKKWEUTCYHRJM-SFHVURJKSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760189371 IHKCXFKUQPSVEX-QGZVFWFLSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)CC1CC1 1760204159 FVKZSBMCRYDODI-UHFFFAOYSA-N 414.506 1.906 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(C)c1C 1760223232 ADOJDGOPZTZTQU-UHFFFAOYSA-N 421.530 1.823 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC(C)CC1 1760232506 AAKGMSGQZIKIMY-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2csc(CC)n2)CC1 1760252214 NVFHQHMJRCKZFR-UHFFFAOYSA-N 413.551 1.337 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1760279951 GGEXLPFBDMXJDC-NEPJUHHUSA-N 403.430 1.363 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1760341613 LZTOCMSMZVAEDV-CQSZACIVSA-N 419.555 1.560 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760524980 PNDGALYARTZPNU-JOCHJYFZSA-N 410.522 1.442 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccn(C)n2)C1 1760549345 CCKVPXUBSPDMCU-IBGZPJMESA-N 410.526 1.897 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)CC(C)(C)C1 1760553465 CZZJSJPQHFQKBC-HUUCEWRRSA-N 409.556 1.702 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCC)CC1 1760565061 NFLOXEYMWPYDGT-MRXNPFEDSA-N 420.583 1.891 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1761165382 HFYIHWRYONXWTI-RBUKOAKNSA-N 407.522 1.872 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cccn1 1761492097 AESYWBUMCHVWBD-QAPCUYQASA-N 420.543 1.305 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCCO1 1761569037 AXGPPACLBWMOFG-IBGZPJMESA-N 401.492 1.621 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1764479232 FWPVWGKDWXOUMZ-BZSNNMDCSA-N 406.531 1.605 30 10 HDEE CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768146583 GHNMDIBSLOPDQR-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1770460141 CDCTZYQEDRJSIU-IIBYNOLFSA-N 410.478 1.085 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)CC2 1849242758 LTFGETIQPMAYJF-QGZVFWFLSA-N 403.439 1.158 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1F 1850102590 DAAXOMHVTFCMGQ-CYBMUJFWSA-N 422.404 1.422 30 10 HDEE CC(C)N(CC#CCNC(=O)CCN1C(=O)c2ccccc2S1(=O)=O)C(C)C 1850336294 SXKGVCJBUIUXAK-UHFFFAOYSA-N 405.520 1.460 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N([C@H]2CCc3ccccc32)C1 1850493875 NSBCLTXCQYLMHY-YOEHRIQHSA-N 409.467 1.788 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 1852125397 IXXKDNWQURGGMS-UHFFFAOYSA-N 419.445 1.270 30 10 HDEE CCc1nc(-c2ccnc(N3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)n2)no1 1852146911 KSEGPXVUYCJSMZ-UHFFFAOYSA-N 403.446 1.852 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1c(C#N)c(C)nn1Cc1ccccc1 1852173655 QFCPFZIWSUYFKE-KRWDZBQOSA-N 401.492 1.864 30 10 HDEE COCCN(CC(=O)NC1=CC(=O)C[C@H](c2ccc(Cl)cc2)C1)S(C)(=O)=O 1852258165 DPHLLKSRFIOYEE-CQSZACIVSA-N 414.911 1.695 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1ccc(N2CCOCC2)nn1 1852793072 XDCWDSXVUSDWDI-GFCCVEGCSA-N 401.858 1.561 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N(C(=S)N=CN(C)C)c1ccccc1F 1852833726 GJJBTKYUSYVFMP-HNNXBMFYSA-N 414.528 1.848 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)cnc2c1C#N 1852998014 CLGLMRRJAZPXDI-MRXNPFEDSA-N 409.471 1.906 30 10 HDEE CCc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1 1853390144 SFWWNOHCTOCOBS-QGZVFWFLSA-N 404.474 1.612 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCCC2)c2ccccn2)c(C)c1 1853490636 SOSCZNRMTQRYMJ-UHFFFAOYSA-N 416.503 1.978 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCCN(Cc3cnoc3C)CC2)cc1 1853559979 HLHYAGZRKDRYOX-UHFFFAOYSA-N 415.494 1.753 30 10 HDEE Cc1ncn(CC(=O)N2C[C@@H](C3CCN([C@@H](C)CCC#N)CC3)CC2=O)c(=O)c1C 1853935301 IMIHJYRJSBBIOS-KXBFYZLASA-N 413.522 1.640 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1F 1854023896 JQZHCBMWVKFSBN-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccnc2OC)C1=O 1854101429 WPRKVVFEJDEMDN-SJORKVTESA-N 400.479 1.330 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)Cc3nc(C(C)C)no3)C2=O)CC1=O 1854123543 OYCPOULFRLTPCC-HOTGVXAUSA-N 417.510 1.567 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638169 IIKBLQXESRKBLZ-MFKMUULPSA-N 421.372 1.597 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1=O 1854658046 CRZCVNMKVXHPBZ-RHSMWYFYSA-N 416.547 1.794 30 10 HDEE C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855120680 DYNKHAVTLULBGT-RDJZCZTQSA-N 404.898 1.766 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C1 1855235588 ANZOLTPWKZLYAY-ZWKOTPCHSA-N 403.523 1.453 30 10 HDEE CC(C)n1nc(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)ccc1=O 1855407966 PZJMDLNIQAZZHH-WMZOPIPTSA-N 411.506 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CCN(CCCC#N)CC1=O 1855552287 CJBBFRPUNQAQGC-CYBMUJFWSA-N 400.426 1.606 30 10 HDEE COc1ccc(OCC(=O)N2CCCC[C@@H](N3CCC(C#N)CC3)C2=O)c(OC)n1 1855597546 FPYYTOTVVOQCBR-MRXNPFEDSA-N 416.478 1.621 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)nn1 1855943863 IDEMMDBQDDQCID-MRXNPFEDSA-N 409.446 1.174 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@@H](C)S(=O)(=O)CC3)CC2=O)cc1C#N 1856096576 LZIMZRWXPFYCBT-HZPDHXFCSA-N 403.504 1.364 30 10 HDEE CCS(=O)(=O)C1CN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)C1 1856170177 SHPAUIRPQGLUTP-OAHLLOKOSA-N 403.504 1.364 30 10 HDEE Cc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c(C)c1 1856679986 QEAIERBXALUHOM-SFHVURJKSA-N 419.503 1.759 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)Cn4cccc4)C3=O)CC2)n1 1856974886 HOKZPUBHQOBUQA-IBGZPJMESA-N 407.474 1.673 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cncn1 1857250666 RPGGVESRHZAAAS-HOTGVXAUSA-N 407.478 1.360 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CC[C@@H]4[C@@H](C3)C4(F)F)ccc21 1857461361 QWNXBOIUUJRHIY-ZIAGYGMSSA-N 409.414 1.682 30 10 HDEE COc1ccc(CCNC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858421772 DGJDNTWMIQAATJ-SFHVURJKSA-N 413.499 1.936 30 10 HDEE CCCCS(=O)(=O)Nc1c(C#N)nnn1-c1ccc(N2CCN(C)CC2)cc1 1870098969 HSOAYUURDLGMAM-UHFFFAOYSA-N 403.512 1.433 30 10 HDEE Cc1cnc(C(=O)Nc2c(C#N)nnn2Cc2cc([N+](=O)[O-])cc3c2OCOC3)cn1 1870109665 BTTHFFRMQZUOIS-UHFFFAOYSA-N 422.361 1.324 30 10 HDEE C#CCOc1cn(CCN(CC)CC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562078 QEDUGUGMFPGGNI-UHFFFAOYSA-N 424.549 1.314 30 10 HDEE C=CCn1c(C(=O)NC[C@@H]2CCCO2)cc2c(N(CCOC)CCOC)ncnc21 1873593508 DEHNAQKSNVIEJQ-INIZCTEOSA-N 417.510 1.625 30 10 HDEE C=C(CNC(=O)[C@H]1C[C@@](O)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991971204 NGSXNEWIMSNIPS-OYOVHJISSA-N 410.320 1.956 30 10 HDEE Cn1ncc(C#N)c1NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029307679 HVURTPBEQQHQFP-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE C#CCN1CC[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2083729280 QUNGTWPNURXRDT-INIZCTEOSA-N 403.504 1.080 30 10 HDEE C#CCN(C[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2169177300 UKMABUONKRBKPL-IKGGRYGDSA-N 400.541 1.117 30 10 HDEE CC(C)[C@H](C#N)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818617 BUTCKGYGIJAYKJ-PWFNWSNSSA-N 401.533 1.721 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3cncc(C#N)c3)C2)C1 2182736197 RLEAAYXIOTZMHW-UHFFFAOYSA-N 412.493 1.361 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2199855650 LVSHQPKHCKGSQA-IFXJQAMLSA-N 400.541 1.893 30 10 HDEE CCCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243440177 XVCRMYRSPHJQGK-UHFFFAOYSA-N 420.344 1.715 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405089 RCRLGYLQJZRKGY-CQSZACIVSA-N 421.303 1.859 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373091 YMUVAICRKJXTJE-WDEREUQCSA-N 407.388 1.438 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@@H](O)C3)cc2Cl)OC1(C)C 2267708646 NUEFVGSEVVHBLS-AOOOYVTPSA-N 407.750 1.750 30 10 HDEE CC(C)(C)OC(=O)NCCCN(CCO)S(=O)(=O)c1cc(F)cc(C#N)c1 2281154814 LLSIYYZJDMADPL-UHFFFAOYSA-N 401.460 1.595 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCC[C@@H]2CN)OC1(C)C 2282340596 HYDCYYOVGXQFNS-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CC[C@H](CS(C)(=O)=O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342465 HVAWWBQBPGEKSU-GFCCVEGCSA-N 423.387 1.149 30 10 HDEE CC[C@H](C[C@H](C)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415527 ITNYRMJJBFVYGZ-NWDGAFQWSA-N 404.363 1.411 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCCCN2)OC1(C)C 2282505341 BURCXVIDYKKUPD-AWEZNQCLSA-N 400.375 1.609 30 10 HDEE C[S@@](=O)CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282506879 YYKDPCBKRIWUQL-RUZDIDTESA-N 419.399 1.436 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(C)CCNC1 2282832050 IOPZSSXKOJYRES-KRWDZBQOSA-N 400.375 1.634 30 10 HDEE CC(C)OC1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282836515 LFDXOUWDMRQPBX-UHFFFAOYSA-N 402.347 1.381 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCN[C@@H](C)C1 2282843483 OGYJRESVAIPOLI-AAEUAGOBSA-N 400.375 1.775 30 10 HDEE CO[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282847419 YQSMCJHQIKLBME-WCQYABFASA-N 402.347 1.381 30 10 HDEE CC1(C)[C@H](CN)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848884 TXHAGTPDFQKTIJ-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](CN)C(F)(F)F)s2)OC1(C)C 2282849461 BPZAVLBZUGBXBF-SECBINFHSA-N 414.280 1.463 30 10 HDEE CCC[C@]1(O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282851472 CIUANVBRABRZKN-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](C)S(C)(=O)=O 2282854981 YARZNEATADWZDU-GHMZBOCLSA-N 423.387 1.147 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(N)CCCCC3)c2)OC1(C)C 2282856875 ZQAGCGHDDSNZIH-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](C)[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282872308 UXARCQKSDXPNQF-JUTIIYIPSA-N 421.415 1.709 30 10 HDEE CN(C1(CC(=O)O)CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284392708 AMZDZLYUTPDFLN-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284394861 DMOKHTXUWYJYCR-LLVKDONJSA-N 403.331 1.969 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284397087 IHOCIDFEIPJJAT-VIFPVBQESA-N 403.331 1.758 30 10 HDEE C[C@@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284415112 VVKQIFRCBAKXFG-GHMZBOCLSA-N 401.315 1.674 30 10 HDEE C=C[C@@H]1COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2285359723 UFSAQLXARIIGMY-GFCCVEGCSA-N 400.331 1.159 30 10 HDEE CCOC(=O)N1CCN(C(=O)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)CC1 2323177652 XDQZSHZQDBAKBO-UHFFFAOYSA-N 406.435 1.595 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(C[C@H](N)C#CC(C)(C)S(C)(=O)=O)cs1 2339675826 SSMSKZUHCOALJE-GFCCVEGCSA-N 401.554 1.864 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OC(C)(C)C)C1 2365208713 DKAAONROQSARMI-XAUUPUKJSA-N 402.557 1.599 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2365211003 KGRNTHTWOIOGMV-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C12CC2 2365213680 XUQLTFZOLQBDIK-AUUYWEPGSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213880 YRWRFBPWDZYGLP-BEFAXECRSA-N 402.557 1.683 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365246234 OGZHEVWJGOFASH-SCLBCKFNSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)NCC1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367790898 IBUKFEHOBRDXRD-OAHLLOKOSA-N 401.525 1.640 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](NN)c2ccc(I)cc2)CCC1 2367834905 WAQGIMLLAAJWMO-CYBMUJFWSA-N 404.273 1.766 30 10 HDEE CCc1csc(C#C[C@@H](NC)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)n1 2379893947 PYGWXHZUAWZVOH-CQSZACIVSA-N 413.565 1.679 30 10 HDEE C[C@H](OC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 10938951 BPYXMLTVDKUNKC-ZRQQLDRUSA-N 416.821 1.193 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3ncccn3)C2)c1 54016322 ZOCCUAZYCUUDHA-INIZCTEOSA-N 401.492 1.340 30 10 HDEE Cc1cc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cccc(C#N)c3)c2=O)ncn1 426913830 JWDMXOCNBCOKOM-UHFFFAOYSA-N 402.479 1.517 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c1 427991307 KGZUKSORJDNAQG-BYPXELQWSA-N 414.527 1.390 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](Cn2ccnc2)c2ccc(C)cc2C)C1=O 441505065 XDSZYJHWSADSPQ-QGZVFWFLSA-N 409.446 1.334 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)CC2)c(Cl)c1 443939323 KPMAIIWQEMMKDI-UHFFFAOYSA-N 417.940 1.241 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)nc1 444099348 COBSKLZRHLBZHR-UHFFFAOYSA-N 420.452 1.764 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)CC1 469839220 CCFVFIWVXGPONF-SFFNPBHPSA-N 413.497 1.120 30 10 HDEE CN(C)C(=O)CCN1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 473204947 WIMBLJSKUYTEAR-UHFFFAOYSA-N 424.467 1.269 30 10 HDEE CC1(C)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 474680146 HGKJMVAQDZUJNZ-PGRDOPGGSA-N 412.490 1.639 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1nnc2n1CCCCC2 480121108 QRGBGNHNYNKLGO-KGLIPLIRSA-N 416.507 1.420 30 10 HDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1O 481056920 JCKFWRGTNRXMBG-HNNXBMFYSA-N 408.451 1.682 30 10 HDEE CN(CC(=O)O)C1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 485329830 KYQWJNZIOIQAIC-UHFFFAOYSA-N 405.398 1.747 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486002057 KHHUHMKONXFZLN-LJQANCHMSA-N 406.442 1.214 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C#N 489687810 ZGGVSIGKALIGTG-AZUAARDMSA-N 400.504 1.423 30 10 HDEE C[C@H](C(=O)Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1)n1cnc(C#N)n1 494682113 WWRTVURERKTQLS-CYBMUJFWSA-N 415.413 1.948 30 10 HDEE N#Cc1ccc(OC2CCN(CC(=O)N3CCN(c4cnccn4)CC3)CC2)cc1 507833670 NPHUAZZXVJSLQF-UHFFFAOYSA-N 406.490 1.540 30 10 HDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508950507 KDAGICBTTCMCON-UHFFFAOYSA-N 421.505 1.772 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 514522543 GQBWDIDCLAELFW-UHFFFAOYSA-N 422.485 1.708 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C)n(-c3ccc(F)cc3F)n2)CC1 517200316 SGQOMSYZFIGEFJ-UHFFFAOYSA-N 418.448 1.911 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(C(F)(F)F)nc1 543905053 UDGMXIHPIJDYJS-LLVKDONJSA-N 412.397 1.661 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3ccc(Br)o3)CC2)n1 548433332 PVYIOIUCGCSUFC-UHFFFAOYSA-N 418.251 1.387 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 559371500 LPZBNBNFZVCQGP-GDBMZVCRSA-N 407.517 1.613 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCC(CNS(C)(=O)=O)CC2)c1C#N 561091270 ZXVLMKFQPBFQPI-UHFFFAOYSA-N 408.549 1.954 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 569207291 BVVRYHHPAWXKFA-QGZVFWFLSA-N 420.535 1.925 30 10 HDEE COc1cc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1C#N 581040877 VGHQJKSOIMKPIK-UHFFFAOYSA-N 413.455 1.673 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC)c1OC 585711022 BLFXDBBWINUHHE-UHFFFAOYSA-N 401.394 1.656 30 10 HDEE COc1cc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1OCCO 586864823 IIRKNIFJUFADCY-UHFFFAOYSA-N 401.394 1.010 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 603798060 IBSGUESAMQMHHM-INIZCTEOSA-N 415.490 1.256 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730140218 UZHLSWRUOMWDCZ-SFHVURJKSA-N 418.563 1.821 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(CC)C1 730937490 UHCBJXWHJYKILK-WBVHZDCISA-N 406.552 1.742 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2=O)cc1 732155465 BRMKBFQGUQBOEO-HFGXJBEUSA-N 412.446 1.081 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCN1C1CC1 733852828 HHEBLKQUMSMJQW-CYBMUJFWSA-N 414.359 1.904 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCC3CCOCC3)cc2)CCN1C1CC1 737198306 OBIPIZBJRXEGEM-LJQANCHMSA-N 412.490 1.629 30 10 HDEE C[C@@]1(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCO1 756551883 BIILZDAYBGCPAY-FQEVSTJZSA-N 414.418 1.567 30 10 HDEE COc1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1S(=O)(=O)N(C)C 757912814 JRPBLDUSACAPPZ-HNNXBMFYSA-N 407.496 1.150 30 10 HDEE CCn1c(N2CCOCC2)nn(CN2CCN(c3cccc(C#N)n3)CC2)c1=S 760553175 WVLNZFBUUMHKEX-UHFFFAOYSA-N 414.539 1.317 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 763783181 PWSSLSNWHIHIFT-AEFFLSMTSA-N 418.471 1.156 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774191271 GOPMVBIKEHXOPZ-SJLPKXTDSA-N 405.520 1.353 30 10 HDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccc(C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774193299 QFENLKYSUJLCTQ-LJQANCHMSA-N 417.531 1.432 30 10 HDEE CCN(C)C(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 774261481 ACUSUNXBSHYXFA-INIZCTEOSA-N 419.551 1.164 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 776910188 QSOZYRAJJSHQEI-MRXNPFEDSA-N 410.515 1.442 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)nc1 780565194 IJPHHJSTRRLNTL-UHFFFAOYSA-N 413.503 1.878 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780938667 DFLRLMXMXDPQAA-FQEVSTJZSA-N 400.523 1.678 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C(=O)OC)c2ccc(F)cc2)c1 794713817 YJZGQOTYPVXUJP-HXUWFJFHSA-N 418.446 1.555 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Br)c1F 798429786 NBGHJCDXLPKTRA-SNVBAGLBSA-N 410.286 1.399 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COC(=O)C2(CCF)CC2)CC1 811338838 JKKMPMVPMGRTDP-UHFFFAOYSA-N 423.466 1.074 30 10 HDEE COc1cc(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)ccc1C#N 812250117 ZZCUZNWKNZQFJU-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1C#N 813704947 BOENPSASEOKTGX-HOTGVXAUSA-N 408.480 1.320 30 10 HDEE CSc1nc(O)c(C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)cc1C#N 817525577 NHQFJJWKMKDXEZ-UHFFFAOYSA-N 420.491 1.843 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849498403 RQULOWIYUAOFSD-ZWKOTPCHSA-N 423.521 1.541 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1125120515 USHDLVRKBCBCAD-SFAXUQRRSA-N 406.508 1.909 30 10 HDEE Cc1c[nH]cc(Br)c1=NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1130991874 GFFARGOYJCSUQX-UHFFFAOYSA-N 409.265 1.252 30 10 HDEE COc1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1SC 1134275686 MKJXMCKPYJGJGC-QFYYESIMSA-N 411.461 1.336 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CCO[C@@](C)(C#N)C2)(c2ccccc2)CC1 1134490079 JOLSXIIAKVZJFC-IBGZPJMESA-N 405.520 1.511 30 10 HDEE CN1CCO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1136704063 JSVVTYYICWGBSF-HOTGVXAUSA-N 421.295 1.015 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1136908065 WYAGPJRIXCOAOA-CYBMUJFWSA-N 407.471 1.116 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1c1ccc(O)cc1 1141336604 QEEYBKHGLSNNTD-HCKAZOGZSA-N 413.430 1.024 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)Nc2ncccc2OCCCC#N)c1 1143247427 VCGZAJKFMSCUGX-UHFFFAOYSA-N 416.459 1.884 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@@H]3[C@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1149517783 AOHGLVXONHUYKV-IEBWSBKVSA-N 407.474 1.334 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OC 1155474193 CPBXEXTVDFXBTR-GOSISDBHSA-N 417.487 1.932 30 10 HDEE COC(OC)[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 1155486835 HSGYKJFTTAPAGE-GOSISDBHSA-N 417.487 1.887 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1)C(=O)OC 1161356702 AEGLDOOYCPYPRV-SFHVURJKSA-N 406.504 1.935 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1171497991 DQCWCQIGUGCMIZ-RDJZCZTQSA-N 406.527 1.895 30 10 HDEE CCOc1ccc([C@H]2CCCN2C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1176709130 GAVJNMYXHHEASD-FBBABVLZSA-N 417.531 1.619 30 10 HDEE CCOC(=O)[C@H](CC1CN(C(=O)OC(C)(C)C)C1)NC(=O)c1ccc(C#N)n1C 1177635079 XUBUDKHZSCMCRM-HNNXBMFYSA-N 404.467 1.815 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1177763669 OKMICZYJKKNHSU-QOQLHOOGSA-N 422.522 1.827 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(OC)cc1OC)C(=O)OC 1191201876 PHXUHDOCIDSPQY-JTQLQIEISA-N 406.254 1.310 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c3c(cc4c2CCC4)CCC3)CC1 1219007713 JKJVVHXFRPCSJA-UHFFFAOYSA-N 402.520 1.281 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CCCC[C@@H]2NC(=O)NCC(=O)NCC#N)CC1 1227977112 WGFBSZMGDMCJBP-HNNXBMFYSA-N 407.515 1.885 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC(C#N)CC2)C1 1248619845 HAUBTAAOWDRDQB-HNNXBMFYSA-N 414.528 1.356 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCC[C@@H](CC#N)C3)CC2=O)C1 1256122006 BOWPCRHWIUGINZ-GJZGRUSLSA-N 405.499 1.542 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286386970 LDJABUCLRNDMSH-DOTOQJQBSA-N 419.551 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@H]1OC 1286404527 VGURRUQITVBJOV-FXAWDEMLSA-N 408.458 1.798 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCCCC2)CC1 1286471116 ITMKLAAUQIJVPF-UHFFFAOYSA-N 415.586 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCc2nnc(C)s2)CC1 1286492524 HTZYEKPXBGMKRA-UHFFFAOYSA-N 415.567 1.845 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccn2)CC1 1286507024 ATDKMGAXHRHOMS-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286609346 JAZZSBKJHOJOGN-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCO[C@H]1C 1286769388 USVMONUGLCWFKQ-IFXJQAMLSA-N 407.540 1.813 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1ccnn1 1287432510 OLDVONAPKQJLLA-UHFFFAOYSA-N 407.482 1.693 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1288234342 VZKAUHVXHSOBMI-NRFANRHFSA-N 410.478 1.337 30 10 HDEE Cc1nnc(N2CCN(c3cccs3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290863578 TYCLPVAHBKHEKW-ISLYRVAYSA-N 413.507 1.501 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1291217730 HMRFRCXQAMUXIO-LBPRGKRZSA-N 408.384 1.720 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1291323068 FVAKBVBAAVAMQK-LUQKVYGDSA-N 413.478 1.494 30 10 HDEE CN1CCN(CCn2c(-c3cccn3C)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1298896248 GUMYCPQXJVETPJ-NRFANRHFSA-N 414.533 1.752 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1300352799 PQYYKOBRUSQTOT-SFHVURJKSA-N 411.462 1.429 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCC(CO)CC2)cc1 1300428529 HCINGULNCQBIDF-UHFFFAOYSA-N 424.549 1.743 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1300430520 NMUGUDBCNAXDBP-LBPRGKRZSA-N 412.903 1.085 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300493910 XDIAMQHEVQKAQE-BEFAXECRSA-N 420.560 1.751 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)COC)CC1 1300685693 SCNKAUNACCYQPK-OAQYLSRUSA-N 405.543 1.358 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)c2ccccn2)CC1 1300695799 JZRGAVMZMAAHAD-UHFFFAOYSA-N 404.522 1.807 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCNS(=O)(=O)CC 1300813133 BIVZJCLQJSUKDI-OAQYLSRUSA-N 415.563 1.995 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@H]1COCCO1 1301412586 DSBAXLHQWSLYOJ-GOSISDBHSA-N 415.494 1.644 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301509748 MRVSUKAYBNVQDG-QGZVFWFLSA-N 423.525 1.169 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@@H](N(C)C(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 1301511356 UTYLTGBNQANLNP-IIBYNOLFSA-N 406.527 1.994 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301519598 PVUJOJQYABORLG-LEWJYISDSA-N 419.526 1.238 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCOC[C@H]1C 1302242197 JHMPUSYHRUIXNA-BDXSIMOUSA-N 406.531 1.461 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2Oc2ccccc2C#N)CC1 1302925203 YLWKDWMDHOEEHQ-UHFFFAOYSA-N 424.482 1.576 30 10 HDEE C[C@@H]1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1304270110 CXUTXCGYHXLHHD-BKEDOTJMSA-N 411.524 1.419 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cnccn3)[C@@H](C)C2)s1 1305943785 NOSZHUVWNLBLOQ-AWEZNQCLSA-N 421.548 1.282 30 10 HDEE C#C[C@H](NC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1)C1CCOCC1 1306878937 JMVIISUTZAUGEH-SFHVURJKSA-N 405.458 1.998 30 10 HDEE N#CCC1(O)CN(S(=O)(=O)c2cc(Br)cc(Br)c2)C1 1309415076 DTJGQIFORUWSTG-UHFFFAOYSA-N 410.087 1.861 30 10 HDEE COc1ccc(N2CC[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1312902524 MHSIQVVVIAISOM-GQIGUUNPSA-N 418.519 1.101 30 10 HDEE CCO[C@@]1(c2nnc(N(C)CCC(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1314088973 ACDXCDDOSXTFHQ-IBGZPJMESA-N 402.455 1.015 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCSCCCO)CCOC1 1314113735 PHUYDEGMCMWQED-QZTJIDSGSA-N 413.519 1.488 30 10 HDEE CCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1314233754 FRZRBWJSRMWNMG-SFHVURJKSA-N 405.462 1.835 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1cccc(F)c1 1316210853 RAMCKCRUVXLHQG-QAPCUYQASA-N 419.457 1.949 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCOCC(F)F)cc1 1316531007 LKRCXSRHKOCOBM-QGZVFWFLSA-N 418.448 1.619 30 10 HDEE CC(=O)N1CCN(c2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)CC1 1320506387 CHXNHRWAJLGOCD-MRCUWXFGSA-N 411.462 1.210 30 10 HDEE C=CCO[C@H]1CCN([C@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1320899249 RQDADKDIAWGLJN-AEFFLSMTSA-N 423.535 1.311 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CC[C@H](OC)C2)C1=O 1326177791 QXLFVBPFZOBYRF-ILXRZTDVSA-N 404.492 1.421 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1358871508 GNWKUBLBAYWZJT-BBWFWOEESA-N 410.588 1.611 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1358943754 ULNYJNYIGQEYPQ-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358969399 OGNKLVDKKURYMZ-ROUUACIJSA-N 411.529 1.995 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2csc(C)n2)CC1 1359037920 DCVRTABJCRUXMT-UHFFFAOYSA-N 413.551 1.163 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1359098657 DHOAWZBZYMRSIS-UFYCRDLUSA-N 419.570 1.922 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359183033 BSFXHUFUHDFSNH-LSDHHAIUSA-N 424.571 1.302 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1359282170 SPDUEFPEWGYMLI-AWEZNQCLSA-N 411.553 1.632 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1359301381 XXEMAKLBJWWCTM-IRXDYDNUSA-N 418.542 1.217 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1360473976 DRMBFUMMWGVQSS-WMZOPIPTSA-N 412.542 1.954 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)nn1 1436929072 CFZKJFHMZIAMPA-HNNXBMFYSA-N 403.508 1.957 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(C(=O)OC)cc1)c1cc[nH]n1 1441251055 OQZXFJVCSMKYRC-UHFFFAOYSA-N 402.407 1.139 30 10 HDEE CN(C)S(=O)(=O)CCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1442033038 LZCXSWDPIRCYOU-UHFFFAOYSA-N 411.534 1.922 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)[C@H]1c1cccnc1 1447221531 NYNVVIZHHTZIFZ-NRSPTQNISA-N 406.442 1.452 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCN(CC(F)F)C3)C2=O)cc1 1451658060 VJQPEYDSJSZKQH-UKRRQHHQSA-N 405.405 1.219 30 10 HDEE C[C@@]1(c2ccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)cc2)NC(=O)NC1=O 1456477913 RPJIPGDPNPNIIU-GCJKJVERSA-N 404.426 1.827 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c(=O)n1C 1459212506 SZULNGKMBKTREE-JLTOFOAXSA-N 404.467 1.143 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)c(F)c1 1459901063 JMEMMNXZSYRBKV-NQIIRXRSSA-N 417.481 1.947 30 10 HDEE CON1CCC(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1464022928 DSNIDWIYRTUXJQ-UHFFFAOYSA-N 406.508 1.055 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCNC(=O)c1cccnc1 1464174356 JUIJBPFIIJOEBM-UHFFFAOYSA-N 403.236 1.641 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1465333892 QTMVIEFPXYEMAO-FCDQGJHFSA-N 417.535 1.719 30 10 HDEE COC(=O)[C@]1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C)CC1 1469941940 AWLHKUNZFIBGSB-YRVVQQKDSA-N 421.519 1.742 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccsc4C#N)CC3)ccc21 1470097319 WBAUAQPRYPCFRX-UHFFFAOYSA-N 409.471 1.605 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1 1471338392 YIHWDEIWJIGGCN-FGZHOGPDSA-N 424.593 1.723 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)CC1 1471451513 VFJMYDSRLSXFED-GFCCVEGCSA-N 404.319 1.709 30 10 HDEE CCOc1cccc(N2CCC(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1472352218 HQHGJKSMADJVMJ-QZQOTICOSA-N 413.478 1.482 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C#N)c1=O 1472867103 GTKJJMNKXGUYAU-HNNXBMFYSA-N 411.462 1.719 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478641760 MSPWINJNLJFRKE-FQEVSTJZSA-N 416.566 1.984 30 10 HDEE Cc1noc(C)c1[C@@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1492985024 BZAMWFPLFMLKON-SWLSCSKDSA-N 401.471 1.554 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnn(CC)c2)CCOC1 1502681138 CJBXXURLWCPNEL-RTBURBONSA-N 403.462 1.637 30 10 HDEE CCOCc1nnc(N(C)Cc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1503015614 BADDLDAJIPZAOI-FMQUCBEESA-N 410.478 1.977 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507563130 COWLSGUJJGDYHA-IAGOWNOFSA-N 414.510 1.352 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccsc2)CC1 1507718500 DTDFFXLURKEROI-HXUWFJFHSA-N 401.536 1.795 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)NCC)CC1 1507750286 PHNDBSUKVRLUCT-UHFFFAOYSA-N 401.540 1.502 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1507807628 FBDFHRQWGPQKHL-WKRCXCSHSA-N 417.510 1.640 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1507998431 AKUITTKAYLBCGL-MOPGFXCFSA-N 422.489 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](OC)C1 1508135805 MGAFOUZEOFHETF-CQSZACIVSA-N 411.915 1.819 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1508796010 LSFVLMTXZWQYOA-HNNXBMFYSA-N 400.458 1.975 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1512545050 GIXYAIQCGOKZJN-CYBMUJFWSA-N 420.420 1.335 30 10 HDEE CN(C)S(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1517023632 LXYMXIGVZNMGAG-MSOLQXFVSA-N 414.535 1.790 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCSC1 1519451932 ZFOAVGJNLAAZBN-QZWWFDLISA-N 407.540 1.874 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@H]3CC[C@H]2[C@H](C(=O)OC)C3)ccc1F 1528148099 SGQDLNXCBFUVDN-BJJXKVORSA-N 410.467 1.704 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1528570889 APDGOFTXPQKGDV-LBPRGKRZSA-N 401.282 1.174 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CCOCC1 1533849704 RUFJTMULDABREQ-HNNXBMFYSA-N 401.467 1.135 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCC(CS(C)(=O)=O)CC3)cc2C1=O 1534088357 UTPXLJJMXWQGNO-UHFFFAOYSA-N 404.488 1.802 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(=O)n(C)cc3Br)CC2)c1C#N 1534655041 YVBUKEGUARQVFQ-UHFFFAOYSA-N 422.308 1.747 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539044431 ASBUXWILIAMBQY-SJORKVTESA-N 421.505 1.976 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1539212104 RLGTZHPVZMDLKA-KRWDZBQOSA-N 415.519 1.560 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539222907 YKLOFKGFZWBSFC-MSOLQXFVSA-N 405.568 1.513 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(OCCC)nc2)CC1 1539445889 JSONLXXBQSVSCR-SFHVURJKSA-N 423.521 1.217 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2cccc(C)n2)CC1 1539459240 AIKFRIPTHRVIQJ-UHFFFAOYSA-N 418.549 1.841 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1540870604 QYXHAJAOTZCMHC-CQSZACIVSA-N 414.514 1.422 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2[C@@H]1C 1540902762 POWPLTADQZFDPM-WMLDXEAASA-N 415.519 1.911 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1540915417 LCIOZAMMDYGFAS-OAHLLOKOSA-N 420.583 1.843 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1541664302 CGHHVSVLNOAFKE-MRXNPFEDSA-N 415.420 1.225 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1547312495 ZGROXMBUHOKOOH-NRFANRHFSA-N 410.478 1.291 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CC[C@@H](C(=O)Nc2cn[nH]c2)C1)c1ccccc1 1556698914 HDZGIGSIVVUXOY-MRXNPFEDSA-N 408.462 1.924 30 10 HDEE COc1ccc2c(c1)c1c(n2CC(=O)NCCn2cc(C#N)c(O)nc2=O)CCCC1 1557599482 AGYGUEDLAOZDRP-UHFFFAOYSA-N 421.457 1.479 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)[C@H](O)c3cccnc3)CC2=O)cc1Cl 1557914025 HQGPPXLEEVLHKT-DKSSEZFCSA-N 414.849 1.170 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCc1ccc2c(c1)OCO2 1558388701 QDNKPTZZICCHGD-CQSZACIVSA-N 415.471 1.655 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ncc(C#N)cc3F)CC2)CC1 1559240484 RDZYBCIODIOYMC-UHFFFAOYSA-N 418.473 1.887 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1 1561154636 HVAMQERTUYGGTM-AGIUHOORSA-N 405.460 1.491 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(I)c2)C1 1561913242 OBLNBIPZHCULPB-CYBMUJFWSA-N 404.273 1.667 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)ccc1OC 1565724812 BDDYHLSCMZJUSY-GVDBMIGSSA-N 411.462 1.422 30 10 HDEE C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1566282725 ARAQJILDDYIQIE-JTQLQIEISA-N 423.242 1.860 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(F)c(F)cc2I)CC1 1566317826 KFVRDEUWRSEBRF-UHFFFAOYSA-N 419.169 1.767 30 10 HDEE Cn1cc(Cl)c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1569285938 NLLOVDOSQSTKPT-UHFFFAOYSA-N 423.926 1.989 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1584624842 DHTRAESEJPVPGY-HUUCEWRRSA-N 413.482 1.126 30 10 HDEE C[C@H](C(=O)N1CCO[C@](C)(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1585431299 BWBQVAYVFKZLRD-BMLIUANNSA-N 406.236 1.575 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1587879167 OTPIJSSDAWZREA-FQEVSTJZSA-N 411.554 1.712 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NC)CC1 1588125272 ZLFUNBQNQQYOCO-CQSZACIVSA-N 402.923 1.349 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(C)(C)C(=O)NC)CC1 1588790975 IYRQTTWLABTUAR-UHFFFAOYSA-N 424.505 1.201 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1594829087 CDULVCGKADZUBW-UZLBHIALSA-N 421.498 1.164 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C)[C@H](C)C1 1595537537 SGHIDJZPYQUZOR-HUUCEWRRSA-N 421.505 1.586 30 10 HDEE CC(C)(O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1597832236 IEBYVBBVMBEGJL-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE C=CCC[C@@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OCC 1611329339 CZTCTEAREPFVGW-MRXNPFEDSA-N 401.467 1.392 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1612877154 DLGPIJMDECSGNE-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1618589414 LDEKSQLZZLGESX-YQSFQRMUSA-N 418.515 1.752 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1620052130 DVVLBZLNXLILPO-PGRDOPGGSA-N 424.505 1.537 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)CCO1 1620354491 GNNAERZWOZNQJN-CHWSQXEVSA-N 419.392 1.078 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(O)nc1=O 1627108793 RKPRCXGCOBMJAW-BQBZGAKWSA-N 421.244 1.729 30 10 HDEE CCN(C)C(=O)[C@@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1628045340 FTHFKNGCVCIXIW-GUYCJALGSA-N 408.524 1.123 30 10 HDEE CN(C[C@@H](O)CN1CCOCC1)C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1629523434 XZCHLHRCKCPRKL-IAGOWNOFSA-N 412.531 1.115 30 10 HDEE CC1=C(C)C(=O)N(CCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1=O 1629709123 DTDPZJSOAQZZHI-UHFFFAOYSA-N 420.473 1.470 30 10 HDEE O=C1CC2(CCCCCC2)N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)N1 1631346007 SQRIHUSKHMKIQN-UHFFFAOYSA-N 418.519 1.862 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C(=O)NC)(C(F)(F)F)C1 1631935623 NBXUCXUIMVZCFX-SJKOYZFVSA-N 405.417 1.820 30 10 HDEE CN(C)CCNC(=O)Cn1cc(NC(=O)c2cccc(C#N)c2Br)cn1 1633894742 XVCCHHSDDJUFJU-UHFFFAOYSA-N 419.283 1.447 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3Cc4cc(F)ccc4NC3=O)C2=O)cc1 1634587812 AFPUIGXDIHDCND-PKOBYXMFSA-N 406.417 1.725 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1635346108 MTKSATIZOVRFLG-UHFFFAOYSA-N 418.469 1.489 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@@H]2c2ncc(Br)cn2)c(=O)nc1O 1635473692 BYSYDVMEROCXFR-GFCCVEGCSA-N 419.239 1.127 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@]23COCCN2C(=O)OC3)c1 1635985277 CGYGTDQDJWYIOI-NRFANRHFSA-N 407.430 1.516 30 10 HDEE N#C[C@@]1(C(=O)N[C@@H](CO)c2ccccc2I)CCCOC1 1637106561 SDNUHCVWQJHUTC-ZFWWWQNUSA-N 400.216 1.761 30 10 HDEE C=CCN(C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)[C@@H](C)COC 1638853000 AICFYWSJJUHRRH-LSDHHAIUSA-N 410.515 1.439 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1639962742 QGTWJMAWXKXHNA-ROUUACIJSA-N 404.511 1.895 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cn4cc(Cl)cc(Cl)c4n3)C2)c(=O)nc1O 1640636404 FFCAJMIBROAGOT-UHFFFAOYSA-N 419.228 1.401 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@H](CN(CCC#N)CCN3CCOCC3)C2)C1 1641935502 WLKQUQVZYZTOHA-UGKGYDQZSA-N 422.570 1.950 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](CC(F)(F)F)C1 1642024234 VKGRLXZKVRVCPJ-DGCLKSJQSA-N 405.398 1.405 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1642768144 BLUBZBGHRKYPJR-OAHLLOKOSA-N 401.467 1.565 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](c3cccc(OC)c3)C2)c1 1643031304 GLUKBGYKTIUZGS-FQEVSTJZSA-N 415.515 1.946 30 10 HDEE Cc1cncc(N(Cc2ncc[nH]2)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1645407234 AFIQEZMFOFLRIK-OAHLLOKOSA-N 424.486 1.885 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 1653281413 LTBHJZCFFUHSIH-UHFFFAOYSA-N 402.384 1.183 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1c2ccccc2OC[C@H]1CO 1653520801 GDUSHEUFYGXZAT-ZXYWRSMDSA-N 415.471 1.083 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(N(CCOC)C(=O)OC(C)(C)C)CC2)CC1 1654957091 CWXUSIKWDNWPPJ-UHFFFAOYSA-N 422.570 1.112 30 10 HDEE O=C(CN1CC[C@@H]2[C@@H]1CCCN2CCO)NCC#Cc1cccc(C(F)(F)F)c1 1660523082 ZJOCBDFIXXSQOF-RBUKOAKNSA-N 409.452 1.704 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 1662708683 TZKLUGFXFAARAH-DJJJIMSYSA-N 405.476 1.174 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1OCC(N)=O)C(=O)OCC 1665797335 UYJIEDUTKROCRJ-GFCCVEGCSA-N 404.872 1.380 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCN3CCCC3=O)c(C#N)c2N)cc1 1674196431 KROQQHQWQAMJID-UHFFFAOYSA-N 409.494 1.489 30 10 HDEE C#CC1(O)CCN(C(=O)NCCCNC(=O)c2ccc(Br)cc2)CC1 1676863393 FOGWHDQFHNBRQL-UHFFFAOYSA-N 408.296 1.739 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1 1681299995 CMXWVIUYMFDTGK-IEBWSBKVSA-N 409.490 1.708 30 10 HDEE C#CCCN(CCOC)C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682293514 PWTPINMHNHEWBL-LJQANCHMSA-N 419.497 1.525 30 10 HDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1682531982 CJYUHCKRKNACJL-UHFFFAOYSA-N 423.564 1.888 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 1682673414 ZYEKXNNHLOCVGN-LBPRGKRZSA-N 405.256 1.812 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H](CO)Cc2ccc(Br)cc2)nn1 1683483036 KLUSGNKWQANOOL-CQSZACIVSA-N 408.300 1.877 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1689845964 DJHNUTPMMUZFEU-HNNXBMFYSA-N 403.508 1.046 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCCN(C)C)c1 1689861685 YZLUTXDNUFLSTR-SFHVURJKSA-N 424.549 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1689863676 YXFPUONMQCYCJC-OAHLLOKOSA-N 415.457 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCNS(C)(=O)=O 1689865673 ZPKLRCONWQRXCM-CQSZACIVSA-N 409.487 1.393 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1689927774 BWZKXUOWLNILFG-HOTGVXAUSA-N 400.483 1.406 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1689979550 CWNDTGSURULGOC-INIZCTEOSA-N 404.540 1.427 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689988251 LOVGLPXPEJIQOR-OKZBNKHCSA-N 406.552 1.843 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cn(C)nc1-c1ccccc1 1690015394 KVBSEMAQDKWGGP-LJQANCHMSA-N 413.485 1.751 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCSC1 1690027110 ZMKSLYHNVPMERZ-OAQYLSRUSA-N 412.515 1.807 30 10 HDEE C=C(C)COCCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690320101 JNKZDUKEDYLWLK-LJQANCHMSA-N 412.556 1.480 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690503668 KJADJGZDCGNONL-GOSISDBHSA-N 415.494 1.498 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CN2CCOCC2)c1 1690532948 YSMMXFDMNGXWSL-UHFFFAOYSA-N 424.549 1.903 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1690674718 CHJJXIOQSPHIDV-QGZVFWFLSA-N 410.478 1.006 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncccc2N(C)C)C1 1690684738 MQALTWIRNMFBHJ-INIZCTEOSA-N 413.526 1.707 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(S(C)(=O)=O)CCC2)C1 1690714452 MWNDRSZKMHAMKE-HZPDHXFCSA-N 410.540 1.878 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690743466 AGMFIVZTRPPZRH-RBUKOAKNSA-N 420.627 1.917 30 10 HDEE C[C@@H]1CCCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1693685216 HXQFDOWIUZSAAG-MSOLQXFVSA-N 410.526 1.976 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1697775503 LWQRYLZYAMRUJQ-ZWKOTPCHSA-N 400.458 1.322 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2C[C@H]2CCC(=O)N2)c1 1698486024 QYWOVOYIJVDCKK-HUUCEWRRSA-N 420.395 1.863 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1705519958 CPOVVHHFVOOWRG-DYESRHJHSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(=O)(=O)CC 1705544208 HXEXRKPZGVEJKQ-UHFFFAOYSA-N 413.450 1.555 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](OC)C(C)(C)C)CC1 1705642084 GGYNDRVKJPNSDZ-LJQANCHMSA-N 413.570 1.956 30 10 HDEE C=C(C)Cn1c(-c2cccc(C)n2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705724481 QKRWJWSKNDOJME-QGZVFWFLSA-N 409.494 1.991 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1705734553 SPYNJECDUBPSEQ-IEBWSBKVSA-N 415.542 1.428 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(C)(C)C)CC1 1705897959 XWYGRMAFIRWKMJ-MRXNPFEDSA-N 408.547 1.225 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1705903135 QXKKOSVRUWIKJN-IRXDYDNUSA-N 403.527 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1705930202 HYSZTTQTXPLWDX-UHFFFAOYSA-N 420.495 1.422 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CCCC1 1710971358 BVUMSKVCOHRTBG-FQEVSTJZSA-N 412.473 1.826 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1711270294 HUTKLFAIKXBNOO-ACJLOTCBSA-N 401.858 1.201 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722307242 SFJQIAIMUCLYFT-MRXNPFEDSA-N 413.482 1.587 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CCN1CCOC[C@H]1C 1722426090 XZZQBNWKEOYGBC-QGZVFWFLSA-N 403.552 1.737 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccs2)CC1 1722439138 QHSJFZPJBLNPGR-JOCHJYFZSA-N 422.558 1.988 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722534419 MRFZAIQBLBSQPA-JXFKEZNVSA-N 400.483 1.712 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1722604064 SZSXSTGPSFRKAM-VQIMIIECSA-N 410.540 1.532 30 10 HDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722610909 FFCPZKQLJDVOIW-AWEZNQCLSA-N 415.885 1.107 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnccn2)CC1 1722694295 QTLFMWDXTZQBLY-UHFFFAOYSA-N 408.466 1.265 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1722858032 MXGGRTIHUZVKBG-JOCHJYFZSA-N 424.505 1.872 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1724235551 LSEODCGQHYTVQS-ROUUACIJSA-N 409.494 1.381 30 10 HDEE CCc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1727459128 AVXCBPAVPZWQKA-SCLBCKFNSA-N 403.487 1.933 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1729161179 CXMWBPLUSAMASP-GOSISDBHSA-N 401.467 1.617 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1730072095 FUYNJSMJXGZHEN-AUUYWEPGSA-N 419.482 1.830 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1730842730 PEKNZOQBPIFLKP-WWGRRREGSA-N 403.405 1.868 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1738217670 FTPLZAPFECIKGV-HGHADFFWSA-N 403.523 1.424 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc([C@H]2CCOC2)cn1 1740598550 UQYCBCBPEXCPGC-INIZCTEOSA-N 413.526 1.667 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC(F)(F)CO1 1740607664 ZLQHBUMNHQNRQL-ZDUSSCGKSA-N 424.477 1.732 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1740608680 CUJWHHWEYFGYBW-ZDUSSCGKSA-N 408.911 1.960 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(C)(C)C)CC1 1740691337 ZVPDJBFJNLJWBG-INIZCTEOSA-N 410.588 1.470 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCNC(C)=O)CC1 1740697837 MYFUGNOTRWRIDN-UHFFFAOYSA-N 411.466 1.135 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN(CC)S(C)(=O)=O 1740723501 PTUCPGIXBOXVQL-LJQANCHMSA-N 424.571 1.080 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1740841040 HAZOEVLXQXITQR-QGZVFWFLSA-N 421.567 1.628 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](CN3CCOCC3)C2)nnc1C(C)(C)C 1740964475 CSBGDWZIBXDHJF-QGZVFWFLSA-N 404.559 1.426 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1741123466 CTINZNNYRXSDTN-HNNXBMFYSA-N 412.498 1.684 30 10 HDEE CCn1cnnc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1746365835 BRZSJKIQZNKPDQ-CQSZACIVSA-N 412.429 1.385 30 10 HDEE CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1747293145 IIWUAMLNMDOLPZ-ZIAGYGMSSA-N 422.511 1.264 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(OC)ccc1OC 1748671628 LZDMREKZDHOYNQ-LSDHHAIUSA-N 418.519 1.704 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1748802715 RNUBYTAAGWOJCJ-AWEZNQCLSA-N 407.565 1.902 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1749283768 BPCFYQUIZVZQDA-ROUUACIJSA-N 411.890 1.714 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1749455503 XXWLAMAEALUSPF-UHFFFAOYSA-N 411.514 1.331 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1749458051 VSHQKRXGZYKOCA-KZNAEPCWSA-N 424.567 1.921 30 10 HDEE COCCCN(C)CCn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1749698408 SBUPMAZERAEGMK-UHFFFAOYSA-N 415.517 1.892 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)CC1CC(F)(F)C1 1749734902 NHZADHBIJNPNHJ-AWEZNQCLSA-N 404.483 1.864 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1749738421 MMYFWKSUCMPWSB-SJORKVTESA-N 410.540 1.216 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1749956563 ZLVAIZHPSBRMDA-QRWLVFNGSA-N 422.505 1.893 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1750140170 HIRBFZJYBLKGQE-XGHQBKJUSA-N 418.542 1.199 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760155520 ACHWQMUNCQHVTF-UHFFFAOYSA-N 407.478 1.198 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1 1760208618 XDYIPDJKMMGMHJ-ICSRJNTNSA-N 413.522 1.478 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCOCC1 1760240889 GYYAXYVGTKEGND-UHFFFAOYSA-N 422.464 1.911 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](C)C2)CC1 1760261545 NEONTTJBBSYPBN-RCCFBDPRSA-N 405.568 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(C)C)CC1 1760268639 NJQAQARWWKVESZ-QGZVFWFLSA-N 416.526 1.010 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cc(C)on2)CC1 1760522093 LSLYQCPGVCAGJO-UHFFFAOYSA-N 401.515 1.397 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760522829 ZIPFEFSUJBMHHF-OAHLLOKOSA-N 420.514 1.141 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)F)CCOC1 1761273486 CSOPWWNDQNLUFZ-ACJLOTCBSA-N 414.457 1.438 30 10 HDEE CCOC1CC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)C1 1766121875 MHIBMZKKQUQCBA-NQEVIQBJSA-N 419.526 1.936 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1767923567 IXTIREKZTZGFRU-QGZVFWFLSA-N 414.466 1.155 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1770016123 KACLMKCKTRWHIS-UEXGIBASSA-N 420.558 1.853 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)C1 1771528876 UWQRSAMXTYPSJV-HXUWFJFHSA-N 412.473 1.853 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CSc2nccc(=O)n2C1 1851781261 PEFQRWQZVHHNOH-QWRGUYRKSA-N 404.883 1.600 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)NN1c1ccc(Cl)cn1 1851850888 IDVIRDBZBUEEAK-NWDGAFQWSA-N 401.858 1.550 30 10 HDEE N#CC1(CNC(=O)Cn2ccn3nc(-c4ccc(F)cc4)cc3c2=O)CCOCC1 1852846828 GXPBOXRWNSHQJW-UHFFFAOYSA-N 409.421 1.739 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ncccn1 1853073988 UNIIOWSLSOGZQQ-GFCCVEGCSA-N 407.418 1.104 30 10 HDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCN(C)C)n1C 1853503349 HFEVFAVOGXNNLO-UHFFFAOYSA-N 419.507 1.046 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3cnn(C(F)F)c3)C2=O)C1 1854251056 LLMBDDCZUMGBFU-OAHLLOKOSA-N 416.388 1.439 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)OC1=O 1854649929 CZKMZFIRKCBFGX-INIZCTEOSA-N 409.439 1.629 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(CC(F)(F)F)C3=O)[C@H](C)C2=O)cc1C#N 1854750222 NWVGHNIVGXLWRR-CJNGLKHVSA-N 422.407 1.703 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3ccncc3)C2=O)CC1 1854862055 FSFPABPEVVMPNH-IBGZPJMESA-N 405.458 1.880 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C)CC3)ccc21 1854941256 BYSGVAKLIPTQHY-OAHLLOKOSA-N 405.520 1.641 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3ccc(F)cc3F)C(=O)C2)C1 1854957523 XYDDUHKDZUFDHS-QAPCUYQASA-N 404.461 1.945 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@@H](CN3CC(Cn4cncn4)C3)CCC2=O)cc1 1855001425 YLXVSZJRGMLWSR-LJQANCHMSA-N 406.490 1.480 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1855060330 MPYKEWXKDIQCCS-MRXNPFEDSA-N 409.552 1.074 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC[C@@H](Oc4ncccn4)C3)CC2=O)ccn1 1855728366 VIXKHUWPLATDFS-CRAIPNDOSA-N 406.446 1.275 30 10 HDEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c1 1855734335 MOMFBLXESANYGL-MRXNPFEDSA-N 411.483 1.857 30 10 HDEE Cc1nn(C)c(C)c1CCN(C)[C@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1855784291 YKRBRGZHJOHPRU-FQEVSTJZSA-N 408.506 1.999 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc21 1856429440 SINKZUZTJSHQRS-QGZVFWFLSA-N 403.442 1.958 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1857076991 TVVKBBDSEXUXGG-APWZRJJASA-N 417.481 1.688 30 10 HDEE CCS(=O)(=O)N1CCOc2ccc(NS(=O)(=O)c3ccccc3C#N)cc21 1858462922 GYKHDNPWUZRCSI-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE COc1cc2[nH]cc(C(=O)N(CCC#N)[C@H](C)C(=O)O)c(=O)c2c(OC)c1OC 1866460377 VSHUKYJVPOYRNT-SNVBAGLBSA-N 403.391 1.383 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN1CC(O)C1 1870653276 ACOBPQXEHDYLNS-UHFFFAOYSA-N 417.893 1.559 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CNc1cc(OC)c(OC)c(OC)c1 1871114651 IJXHZEPQCXSAOL-UHFFFAOYSA-N 403.435 1.536 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1CCOCC1)n2CC=C 1873594162 NOORXBKEMYWPPW-UHFFFAOYSA-N 410.522 1.858 30 10 HDEE CCCOC(=O)CSc1nnc(COC)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874505365 IVSVEUXBZVXBMU-CAOOACKPSA-N 409.424 1.966 30 10 HDEE N#CC[C@@H](O)Cn1cnc(I)c1I 1884121703 UNBJWGBQTOSONJ-RXMQYKEDSA-N 402.961 1.367 30 10 HDEE C#CCCN(CC(=O)O)C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1900033571 JBPXABJEKXJTFU-GOSISDBHSA-N 417.506 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@H](C#N)C2)CCN(Cc2ccccc2)C1 1985195617 GNSGCSPJZREZPW-XMSQKQJNSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2010403787 JRRRMZVIEWVSIQ-SCAQPMJSSA-N 421.347 1.746 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)c(N)c1 2106651833 UBJVGXGEFIIBDT-HHXXYDBFSA-N 412.471 1.828 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@H](CNS(=O)(=O)N2CC(C#N)C2)CC1 2178642661 XHKPWEXPGDXPBG-WJYNOGRTSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)C(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195306618 FAGSLIBZNSJVAC-GFCCVEGCSA-N 403.545 1.596 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC(F)(F)C[C@H]1CC(=O)O)C(F)(F)F 2200614481 KKGKSNWONZFSRD-MLUIRONXSA-N 400.222 1.697 30 10 HDEE Cc1cc(CNC(=O)N[C@@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2203126754 SCCITWDRACXITM-LLVKDONJSA-N 402.347 1.546 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221673534 BSFFFBNACRWEEE-CABCVRRESA-N 411.296 1.995 30 10 HDEE Cn1cc(C(=O)NCCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2243418524 FOAIZRCXPWJWOA-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE CN1C[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)[C@H](NC(=O)OC(C)(C)C)C1 2247660231 IOUOFADIOPIXGK-CABCVRRESA-N 419.331 1.967 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247857635 IDWMFZXYXCTOMO-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 2247863535 SJBINFPELSTNKX-UONOGXRCSA-N 422.287 1.289 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248433850 RKKLZCIYOGOLOD-CYBMUJFWSA-N 421.303 1.453 30 10 HDEE C=CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258155885 ZUDHEWSTZIUJKI-INIZCTEOSA-N 410.492 1.873 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N3CC(O)C3)c(Cl)c2)OC1(C)C 2267721664 SWWYWIKCSZECCN-UHFFFAOYSA-N 408.112 1.658 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@](C)(O)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282307960 KNRKYIYBMJYXCK-HNNXBMFYSA-N 411.301 1.650 30 10 HDEE CC1(C)CCNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332406 AGBLDBWEYZBFRW-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NO[C@@H]3CCOC3)ccc2Cl)OC1(C)C 2282489491 GVEFALWUBKDDKS-LLVKDONJSA-N 403.693 1.638 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CO1 2282492654 PVRXAENQXKKPPR-VXGBXAGGSA-N 402.347 1.381 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(O)CCC3)c(Cl)c2)OC1(C)C 2282501657 ZWIZBAMURCIITK-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282633594 ALQGEVSMRVDULA-VXGBXAGGSA-N 401.359 1.941 30 10 HDEE C[C@H]1C[C@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282830383 SRUIRLASPZQZPB-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H](O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282832779 CJGNWEZWKZVYNN-CYBMUJFWSA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](N)C1(C)C 2282833630 YNFLXYINNYFEDJ-OLZOCXBDSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H](N)[C@H](C(F)F)C2)OC1(C)C 2282858142 SCNKHCMPLGPMEL-KOLCDFICSA-N 408.301 1.260 30 10 HDEE CC[C@H](CSC)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282861586 PXSPXBWLPFAVJV-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(C)CSCCO2)OC1(C)C 2282869657 GIWXQHKBZMIVDJ-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398230 VXJNDABWHXICIE-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC(F)(F)CC(=O)O)c2)OC1(C)C 2284410846 WXFSVZDVIFEIMJ-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288894610 JZYVAGMUWVJGCU-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342052847 FUCIDXYNXFLIHP-NQIIRXRSSA-N 420.531 1.319 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@H]4NCC[C@@H]43)cc2Cl)OC1(C)C 2359272778 UJEWVDMFBFAXSG-DLOVCJGASA-N 418.777 1.729 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2365205691 VPESXWVGXSBYIL-HZPDHXFCSA-N 403.589 1.636 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCCOC1 2367793541 WIZDHHBUFDRITO-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367798117 YCDJPVXITHZJCG-BZUAXINKSA-N 400.541 1.747 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OCO3)n1 22628870 YTNNXTNNXBNISB-UHFFFAOYSA-N 402.432 1.074 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 27903722 DMOKMVAVCOQPLJ-OAHLLOKOSA-N 410.921 1.746 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)c1 53298348 KUYVFXGQNVDUBB-INIZCTEOSA-N 411.412 1.933 30 10 HDEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409715909 JHHTXZSVTLWKAB-CVEARBPZSA-N 410.478 1.411 30 10 HDEE CCOC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)N2S(=O)(=O)c1cnc(C)c(C#N)c1 427792413 IGXSPJYCNOXLML-GFCCVEGCSA-N 414.443 1.974 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2noc(Cc3ccccc3)n2)CC1 431606341 CZCFYBRFRNZKID-MRXNPFEDSA-N 412.494 1.351 30 10 HDEE C[C@H]1[C@@H](C)O[C@H](C)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 438403771 VHZCWVDRUUQNOL-OWCLPIDISA-N 405.520 1.983 30 10 HDEE CN(C)c1ncn(-c2cccc(NC(=O)N(CCC#N)CCN3CCOCC3)c2)n1 441776001 MHCZJIUBAPJIKM-UHFFFAOYSA-N 412.498 1.413 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCCN(c3ccccc3C#N)CC2)c1 461996126 SSHJPQMFLAKUPW-UHFFFAOYSA-N 415.519 1.926 30 10 HDEE COc1cc(C#N)cc(Br)c1OCC(=O)NC1CCN(C(C)=O)CC1 479941777 RTZNLEALQVARED-UHFFFAOYSA-N 410.268 1.835 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C2(C(=O)OCC)CCOCC2)cc1 517258432 HUORXEYKUUFLMA-UHFFFAOYSA-N 410.492 1.792 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 542381927 NNAUTRWAURMKTG-UHFFFAOYSA-N 400.414 1.962 30 10 HDEE CCN1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1cc(F)c(F)c(F)c1 543893551 ZFFPDDFVXDBXON-GDBMZVCRSA-N 407.396 1.620 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ncc(Br)cc2Br)n1 557111530 JSWUQHHDCCSNOA-UHFFFAOYSA-N 400.034 1.500 30 10 HDEE C=C(C)Cn1c(CCc2ccco2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 566346858 IKJXLQXYXMHBCH-MRXNPFEDSA-N 407.540 1.998 30 10 HDEE COc1ccc([C@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 570870212 DLTVYPALDOEHDN-AWEZNQCLSA-N 411.437 1.627 30 10 HDEE Cc1nn(C)c(C)c1[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)C(F)(F)F 574940183 XVVBZMIDNBBLJV-HNNXBMFYSA-N 401.414 1.971 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)ccc1C#N 589294141 LLVXCPBNBPCDQX-UHFFFAOYSA-N 421.500 1.585 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)c2ccc(Cl)cc2)CC1 603551628 OIUQEWWLEAHHCY-UHFFFAOYSA-N 412.881 1.868 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 609431263 KAGXYFPCAVAFNY-QFIPXVFZSA-N 423.561 1.930 30 10 HDEE Cc1ccc(C#CCO)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703981475 CCDRJLBJKZOEOT-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE CC1(C)OB(c2ncc(CNC(=O)[C@@H]3CCCCS3(=O)=O)s2)OC1(C)C 718826427 MTNXWMQVKNUDMK-LBPRGKRZSA-N 400.331 1.026 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccnc(C)n2)C1=O 726887366 FTYNVRMSZSMNOP-CQSZACIVSA-N 400.464 1.456 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(OCC)cc2)no1)[C@@H]1CCS(=O)(=O)C1 729332666 UEKVPXQYEVYUGI-MRXNPFEDSA-N 417.487 1.717 30 10 HDEE CC(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 730144957 UXBJOJNPHMFUSM-LRWZUSMTSA-N 405.568 1.648 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CCN1C1CC1 732647450 DUYMMEQQIQNBNV-INIZCTEOSA-N 406.483 1.423 30 10 HDEE C[C@H](CC(=O)Nc1ccc2c(c1)OCC(=O)N2)/N=C1/NS(=O)(=O)c2ccccc21 742563989 QZUGIIJRVGSWLL-LLVKDONJSA-N 414.443 1.473 30 10 HDEE CCO[C@@H](C)c1nc(CN(C)C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cs1 742736355 OVQZCPBTBHQKCX-LBPRGKRZSA-N 422.532 1.938 30 10 HDEE NC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1Cl 746236317 FUIAOXVEFPFFIT-JPWUFHEYSA-N 404.854 1.017 30 10 HDEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3cc(C#N)cn3C)CC2)c(F)c1 751725653 ZWSPDSHCKLLRRP-UHFFFAOYSA-N 412.421 1.744 30 10 HDEE C#CCN(C(=O)Nc1ccccc1-c1nnnn1C(C)C)[C@H]1CCS(=O)(=O)C1 753043623 HTRXRZQEHCUXBK-AWEZNQCLSA-N 402.480 1.575 30 10 HDEE CCN1CCN(c2cccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)c2)CC1 770757657 WXZVSOOYNCHKRJ-UHFFFAOYSA-N 421.501 1.964 30 10 HDEE C#CCN(C(=O)Nc1cccc([C@H](C)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 774035720 KATZVGWRVLSMSN-LPHOPBHVSA-N 405.520 1.734 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N(CC)CC)cc1)[C@H]1CCS(=O)(=O)C1 774161569 GGKXGQBEPNWIQO-SFHVURJKSA-N 405.520 1.501 30 10 HDEE C#CCN(C(=O)NCc1cccc(CN2CCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 774164070 IKXXEMHMZDCVSD-SFHVURJKSA-N 403.504 1.141 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(CC#N)CC1 782053491 NZESAGLPRRQECF-SFHVURJKSA-N 421.519 1.868 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c(=O)n(C)c1=O 782841754 GQNZQQLTKUKMDJ-ZZXKWVIFSA-N 410.821 1.447 30 10 HDEE N#CC1(NC(=O)COC(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCC1 784208743 IFGMDCMWHKYSEX-INIZCTEOSA-N 401.438 1.712 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)n1 790109364 YHKUPQPLHMYDKE-UHFFFAOYSA-N 408.458 1.566 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)c1 794115256 BVQPXSPVSXBYKJ-UHFFFAOYSA-N 416.438 1.498 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)cc1 804275748 UGXINMAXRVTVLE-MJGOQNOKSA-N 415.471 1.376 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 809830400 RVRLPYZIPOXBSR-UHFFFAOYSA-N 412.537 1.204 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c(F)c1 810088806 VFEBJOUAVZIYFK-LBPRGKRZSA-N 407.389 1.918 30 10 HDEE C#CCN(c1nnc([C@H]2COCCO2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812048269 MSKGGEYBFMFFSZ-QZTJIDSGSA-N 416.503 1.041 30 10 HDEE COc1ccc(NC(=S)NN=Cc2nccn2S(=O)(=O)N(C)C)cc1F 814831759 PWLCOIVBMPHAQQ-UHFFFAOYSA-N 400.461 1.006 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C(=O)N3CCOCC3)C(C)C)cc2C1=O 876538342 PGNXXMXLTCDOCY-QGZVFWFLSA-N 400.431 1.509 30 10 HDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)C1 1116067035 DULDSKNYTWYRIM-CVTQAYBASA-N 402.495 1.400 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CS(=O)(=O)Cc1cccc(Br)c1 1131708596 JMIOMZLHIVPWTA-HNNXBMFYSA-N 402.310 1.909 30 10 HDEE COC(=O)c1sc2c(c1Br)CN(C(=O)[C@H](C)n1cnc(C#N)n1)C2 1131770431 LBBVPDVXTVONPA-ZETCQYMHSA-N 410.253 1.864 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCN(C)CC1 1134265522 GJPQEBXLLVNOFH-KRWDZBQOSA-N 421.538 1.782 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3nc4c(cc3C#N)C[C@H](C)CC4)CC2=O)cn1 1135108483 LEDJIMWTGVJUFK-PBHICJAKSA-N 422.489 1.913 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2(n3cc(Br)cn3)CC2)CC1 1136108092 YNLVQLMCNBGXMN-UHFFFAOYSA-N 401.268 1.750 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1142008270 UYJTWQQYUGEFIX-OAHLLOKOSA-N 416.455 1.676 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2)C[C@@H](C)O1 1142585998 ICNKZZXSGYPGSS-KDURUIRLSA-N 400.523 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)N3CCCCC3)C2)C1 1143814590 RDINDOLHORAZBK-ZGOJQLDESA-N 404.511 1.902 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2[C@H]3CC[C@H]2c2cnc(CC)nc2C3)c1 1152710580 UITRNBZFGJIEBN-KXBFYZLASA-N 410.499 1.853 30 10 HDEE C#CCOCCN(C)C(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1160097074 GATBWHVIAAWBKG-IEBWSBKVSA-N 408.520 1.042 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1167654795 SDYGTMWZHPEOSH-BMFZPTHFSA-N 416.337 1.706 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1170911642 CAFRCYGYJMNYPE-DHQBXBPASA-N 407.467 1.110 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3ncc(C#N)cc3Cl)CC2=O)C1 1180000429 LAQOREXNSCRVHK-LBPRGKRZSA-N 419.869 1.557 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1182391685 ZZPZCGXHMODIAO-UHFFFAOYSA-N 410.518 1.680 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2ncc(C#N)cc2Br)CC1 1185747173 YZOQRXLFRAVBTB-UHFFFAOYSA-N 403.302 1.204 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1195876156 GRPRQOXSAWLHAG-UHFFFAOYSA-N 416.478 1.520 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cnn2cc(Br)cnc12 1211683357 ABSIBEOGFGMSDW-GWCFXTLKSA-N 401.286 1.751 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 1214196292 FAYXRBANIGMQDX-OAHLLOKOSA-N 410.540 1.679 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113570 ZWAWFGVKRRFXAM-VQTJNVASSA-N 419.485 1.710 30 10 HDEE COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)OC(C)C 1226791431 CCDCTKPPIFBOMH-ZAAXVRCTSA-N 421.519 1.741 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1269736010 HVNIICGOTGRRHS-JIPVWKOYSA-N 400.523 1.096 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286335656 SADCJBOLEXPSEH-JXFKEZNVSA-N 403.483 1.375 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1286396563 WCIVTKOGAIKZFH-AWEZNQCLSA-N 422.580 1.702 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286490095 HBFYXEQBPWNBDZ-MOPGFXCFSA-N 415.538 1.563 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)C1 1286855685 AMFVCCYBSDDUQD-DOTOQJQBSA-N 401.515 1.511 30 10 HDEE C=C(CN(C)C)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1296886950 ZYUNYPZEODYFPR-CQSZACIVSA-N 408.465 1.704 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1300471386 ACBREJTYSAIUIC-CABCVRRESA-N 403.508 1.391 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300498133 HHXWSUIJVHIEDW-KRWDZBQOSA-N 416.551 1.444 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1300512988 PGAZKTVTAQFQDP-JOCHJYFZSA-N 409.490 1.233 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1300696153 UMQSIXANDJPXAM-FQEVSTJZSA-N 412.586 1.800 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)C1 1302982806 QEDWYXSZDIPNNM-YJYMSZOUSA-N 402.405 1.717 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CCCOC2)cc1 1302993304 CCVOJAIJMUTWIK-DLBZAZTESA-N 410.478 1.467 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)CCO1 1303001470 AUZIRGYVLLXLRZ-HNNXBMFYSA-N 402.405 1.569 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)CCOCC1 1310332483 DCHJWIAQGTZZNG-UHFFFAOYSA-N 407.492 1.830 30 10 HDEE C=CCO[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1325227017 BSJUDGHOXUNOJS-FUHWJXTLSA-N 423.535 1.311 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1358898223 ONAKLHVFIWJQER-LJQANCHMSA-N 424.549 1.788 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1358918702 DIKAIEWERXOKDN-SFHVURJKSA-N 410.526 1.977 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1358939996 LXCZAPDSFVHFRM-NRFANRHFSA-N 422.493 1.412 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1358949232 WKRCTXJITBUVSD-RTBURBONSA-N 415.563 1.861 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)COC(=O)N2 1359054432 VSVAVKFRWCKJRR-UHFFFAOYSA-N 400.508 1.729 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1359062725 QLGURKJLFBYYMX-OAHLLOKOSA-N 413.569 1.014 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC(C)(F)F)CC1 1359165301 MELNVFKECFDTLI-CQSZACIVSA-N 419.498 1.813 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1359342824 GALAQIFFCLPKGJ-HZPDHXFCSA-N 414.597 1.962 30 10 HDEE CCN(C(=O)c1cc(C)c(C#N)cn1)c1ccnc(CN2CCN(C(C)=O)CC2)c1 1435620999 OKQLZEVYGSVHTA-UHFFFAOYSA-N 406.490 1.988 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1439796655 NQMKMVKJAUFOET-LVCYWYKZSA-N 415.515 1.244 30 10 HDEE Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1446522128 WLNKNCKJKKYZSQ-KRWDZBQOSA-N 420.466 1.442 30 10 HDEE C[C@@H]1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS1(=O)=O 1447651010 NEBFGCPIWQPGSD-CABCVRRESA-N 401.529 1.999 30 10 HDEE C=CCC1(NC(=O)CNS(=O)(=O)c2cccc(Br)c2)CCOCC1 1452997303 MHXSXAQOLLZJJB-UHFFFAOYSA-N 417.325 1.969 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)[C@@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)CC1 1453388797 ICEOPXRFVVYEMY-GHMZBOCLSA-N 407.439 1.491 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1 1456491425 JAFQEYXWUVXSAR-WMQCIHAUSA-N 408.458 1.977 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC3(C4(O)CCOCC4)CC3)ccc2c1=O 1458027146 MIOMFDYLDCAYFH-UHFFFAOYSA-N 415.515 1.923 30 10 HDEE CC(C)(O)[C@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1460724310 JHSUXQWZRMLRBQ-HNNXBMFYSA-N 413.478 1.548 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 1463945071 CZPNPIAFWOKZTA-MRXNPFEDSA-N 404.488 1.364 30 10 HDEE CN(C)c1nc(N)nc(COc2cccc(NC(=O)c3cccc(C#CCO)c3)c2)n1 1464755797 YXGXHFASTARNQU-UHFFFAOYSA-N 418.457 1.695 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccn(Cc2ccccc2)n1)c1cc[nH]n1 1467893221 ZHAKYACEJNGVJG-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 1467906721 ZKGMZBRYKFCQBI-FUHWJXTLSA-N 409.508 1.241 30 10 HDEE COC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC1CCCC1 1472283123 ITTUJZIJIVUKNF-MRXNPFEDSA-N 407.492 1.322 30 10 HDEE C=CCn1cc(CNC(=O)N2c3ccccc3C[C@H]2CNC(=O)C(F)(F)F)nn1 1478855549 QHWJIFPHJQCUCX-AWEZNQCLSA-N 408.384 1.784 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C(N)=O)nc2)c1 1504338455 FZFXQTIUWLDJGW-OAQYLSRUSA-N 421.436 1.938 30 10 HDEE COC[C@@H](F)Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1504605229 OTKKKVCAGDGHAB-ZFWWWQNUSA-N 400.462 1.517 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1505046293 AXQYHTVZZHXPBZ-ZWKOTPCHSA-N 410.478 1.195 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1507572021 VCBXDPIJOWZCRD-UHFFFAOYSA-N 407.522 1.951 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1507591946 PBFXMMDGEKBUSE-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507593524 RDSXLRXUHGEQQT-INIZCTEOSA-N 416.526 1.917 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1507603180 SNZUMJBBXACQKI-AWEZNQCLSA-N 409.487 1.518 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1507606750 WMAQOMZXQYIGIY-UHFFFAOYSA-N 417.535 1.140 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1507632661 OSXLCUWOQIBDDJ-IAGOWNOFSA-N 410.540 1.224 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(CCOC)[C@H](C)C1 1507750435 VDKSPHTWVIHZFS-QGZVFWFLSA-N 400.552 1.863 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1COCCO1 1507762255 XMPQCKQZBHFWQP-UIFIKXQLSA-N 404.511 1.726 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1507845398 ZYUCPBHJUPIOKG-QGZVFWFLSA-N 403.527 1.871 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507855111 SQKWUUCRYCTSHW-KRWDZBQOSA-N 423.993 1.774 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](CC)C1 1508093480 IJYNBFICQJUAKR-INIZCTEOSA-N 415.494 1.783 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1508122397 ILROTDLFXWDXEP-FGTMMUONSA-N 424.567 1.778 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCC[C@@H](O)C2)CCOC1 1509813026 AKFIOQWWRMAUAW-NEYJZJCJSA-N 419.526 1.599 30 10 HDEE COC1(C)CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517912885 JMLLVUZGDPWTIJ-VHEBQXMUSA-N 414.510 1.762 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2CCOCCCO)CCO1 1521121305 JLPSBGQEUONERT-MRXNPFEDSA-N 423.420 1.674 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 1532024501 YYDAXGNOYDQNOF-LBPRGKRZSA-N 406.405 1.807 30 10 HDEE C#C[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1ccccc1 1537430184 APFMKSBJQQZWMT-SFHVURJKSA-N 414.483 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1538962341 HXODBPHVTLICLV-MRXNPFEDSA-N 412.494 1.441 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2ccco2)C1 1539124802 HZMWITVBVDEFTI-DOTOQJQBSA-N 404.492 1.765 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C1CC1)N(C)C 1539154035 DXVZRZWDJDYSKO-GOSISDBHSA-N 401.536 1.758 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1539224419 GQNUUNVQCIFJOQ-INIZCTEOSA-N 420.560 1.472 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(C(F)(F)F)c1 1539395570 DDWIZOURDYONKR-UHFFFAOYSA-N 424.427 1.964 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)NCCOC)CC1 1539770522 MWSHRBZUAQEDBU-UHFFFAOYSA-N 424.933 1.246 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)NC)C1 1539953260 PVNZZZXAZYAUSO-GJZGRUSLSA-N 412.560 1.207 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOc1ccccc1 1540073945 VGMSBPXTFILLRX-KRWDZBQOSA-N 421.523 1.312 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1540891494 VCHQTZDFDCFROD-OKZBNKHCSA-N 419.526 1.058 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)c1 1542096337 JEVLEPASOPQGEA-GONXEDJWSA-N 422.551 1.673 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCc1nnc(C)s1 1548176069 UCALXLZZZOWSFG-MRXNPFEDSA-N 416.555 1.784 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1555635707 DCOOUKSYRIAJED-CXAGYDPISA-N 411.869 1.994 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCCN(Cc3ncon3)C2)c1 1556565025 FMUKQWNVHGICSS-CYBMUJFWSA-N 421.454 1.148 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)NN1C(=O)c2ccc(Br)cc2C1=O 1557223991 LRHQTAIYGSZHAJ-UHFFFAOYSA-N 413.183 1.857 30 10 HDEE COc1ccnc(OC)c1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1558288538 JKAVWJYFFIAKQY-UHFFFAOYSA-N 404.448 1.556 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3nnc(C)s3)CC2)c1 1561944379 GCWWITGPUAAOCX-UHFFFAOYSA-N 407.521 1.273 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)ccc1OC 1565724811 BDDYHLSCMZJUSY-BRWVUGGUSA-N 411.462 1.422 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(C)(C)CO)CC3)C2)C1 1567081712 ZYPXZUGTFRLOQF-PSCUFVCCSA-N 420.554 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[C@@H](OCC)[C@]23CCCO3)s1 1567413980 IEUQYYWYSOUYLA-RKVPGOIHSA-N 414.549 1.598 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncc(OC)cn2)cc1 1584143896 VQSUEXJUJHRHHV-CVEARBPZSA-N 404.448 1.816 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Cl)c(OCC(N)=O)c(OC)c1 1586777222 CYSIVMMULZSQDD-UHFFFAOYSA-N 410.854 1.630 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)C1 1587192955 WNHKAHMSWRUGIJ-FQEVSTJZSA-N 400.479 1.837 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587614320 ICHBYYYEAKBVQT-GDBMZVCRSA-N 409.469 1.620 30 10 HDEE C#CCN(c1nnc(COCC)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1588074784 RREFPSVWJQSOKY-MRXNPFEDSA-N 411.572 1.029 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1588265872 JKMMLCFFNSTXHD-PBHICJAKSA-N 423.514 1.875 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccn(C)n1 1588581489 TXXAMFDJPJZAJT-UHFFFAOYSA-N 418.299 1.904 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2=CCCOC2)CC1 1588733228 PLFPELORRRFBDX-UHFFFAOYSA-N 400.527 1.298 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1589708627 REQGPLPJLNGTOX-ZDUSSCGKSA-N 401.533 1.300 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccnc(C)n2)CC1 1594752241 CFENVYJTWDFVRS-UHFFFAOYSA-N 410.526 1.792 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1594824460 IBDKEFUENZPPNN-GOSISDBHSA-N 403.527 1.651 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(C)C)CC1 1595556475 UQRHCIFGBVUKQZ-UHFFFAOYSA-N 412.538 1.710 30 10 HDEE C#CCCN1CCN(C(=O)c2cnn(C(C)C)c2I)CC1 1598458152 XHRRHSKKJGBPHI-UHFFFAOYSA-N 400.264 1.850 30 10 HDEE C#CC1(O)CN(C(=O)[C@H]2Cc3ccccc3CN2S(=O)(=O)c2ccc(F)cc2)C1 1603215724 AXCUYCNZJDKNNT-LJQANCHMSA-N 414.458 1.148 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1c2ccccc2OC[C@H]1CO 1606720094 IZVLCTSQFKFPPV-ZBQZNYHESA-N 415.471 1.083 30 10 HDEE Cc1cc(C)n(Cc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)n1 1607490323 WIIRHYAAYIGEKG-UHFFFAOYSA-N 404.430 1.379 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C1 1611243849 CJEBRUCSJYIVBS-LPEHRKFASA-N 400.690 1.983 30 10 HDEE CCCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1614572911 ILBKPVNQWBMMNI-CVEARBPZSA-N 411.528 1.116 30 10 HDEE Cn1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1618495326 IBZAUYUTBMKSHK-KRWDZBQOSA-N 401.381 1.010 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1620573500 NKCNAPQVXNYMDM-GOSISDBHSA-N 417.531 1.067 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cccc3c2CN(c2ccccn2)C3)c(=O)nc1O 1623254998 FYODSPFWZKDYJQ-UHFFFAOYSA-N 417.429 1.557 30 10 HDEE C#CCN(C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@H]1CCS(=O)(=O)C1 1625363765 RIUVNSZJZWCBGP-YNEHKIRRSA-N 406.451 1.041 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccsc2C#N)C1 1625807551 CVEHHUGQLNQANS-GFCCVEGCSA-N 413.521 1.774 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1626046554 DAFAOCPRCNWKLR-JKSUJKDBSA-N 405.499 1.744 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CCO)C3CCSCC3)C2=O)cc1 1626546052 GXXMARMXMAFYLF-QGZVFWFLSA-N 416.503 1.480 30 10 HDEE Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1S(=O)(=O)NCC#N 1627072629 CJQLVBYAPFUBPG-UHFFFAOYSA-N 410.455 1.981 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1628796568 GOTNGONRBPUVRC-IRXDYDNUSA-N 417.510 1.778 30 10 HDEE C#CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)OC 1629617505 RBCROWLUSJYDAZ-NSHDSACASA-N 402.144 1.494 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 1632611322 VYZZXVCJXALYFW-QGZVFWFLSA-N 420.878 1.958 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C(=O)OC 1635158978 PUXCFSPKIYYZJK-GFCCVEGCSA-N 409.489 1.860 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CC(N)=O)CC1 1638347224 BETXHWPFZWZGKB-AWEZNQCLSA-N 406.508 1.056 30 10 HDEE C#CCN(CC(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1)C(=O)OC(C)(C)C 1638882822 RLLRKTIVYKPULS-MRXNPFEDSA-N 409.508 1.772 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3NC(=O)c3cccs3)C2)c(=O)nc1O 1640636560 JVJKEUOGZVLOGJ-UHFFFAOYSA-N 421.438 1.831 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](Cn2cc(C#N)c(I)n2)C1 1641226181 PMWCRAPAEDUEJY-NSHDSACASA-N 418.235 1.995 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)C2)nc1 1645084773 FIQYVDXQTZRFHA-ZDUSSCGKSA-N 405.505 1.308 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1645693514 WZPQIJKLJCAWDR-MSOLQXFVSA-N 407.536 1.411 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccccc2COc2cccc(C=O)c2)c(=O)nc1O 1646149011 ZEFVUGUUOXNQKN-UHFFFAOYSA-N 418.409 1.642 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1649538664 SZEDRLHMXRLUJI-UTKZUKDTSA-N 406.527 1.708 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1652332251 SFTMSFZYHGLETC-INIZCTEOSA-N 414.510 1.166 30 10 HDEE Cc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n(-c2ccccc2F)n1 1654975680 WKJNACPESWPPKQ-IFXJQAMLSA-N 417.466 1.129 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1659171878 DBNDDJSBYNUJHF-UHFFFAOYSA-N 402.495 1.485 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)cc1C 1660567788 QITIAZDLMWOUQA-LJQANCHMSA-N 423.521 1.423 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2Br)cn1 1664952989 PLGDPKXZRBVTIK-UHFFFAOYSA-N 412.265 1.544 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1677170816 ZSPVGFMSSCIBQZ-MSOLQXFVSA-N 416.526 1.010 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140049 CTFQPQVHNLQYLB-CQSZACIVSA-N 421.295 1.593 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1680958197 RIGYWYCPOKHBOT-XHSDSOJGSA-N 423.514 1.120 30 10 HDEE C#C[C@@H](CC)NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1681724369 KVOHQBOZPYEYGB-QWHCGFSZSA-N 402.232 1.742 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1682226654 OGTHFIJXWSIAIP-UXHICEINSA-N 413.522 1.411 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1682293520 QBMNBWIYJDFSAF-QGZVFWFLSA-N 400.460 1.640 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CCN(CCC#N)CC1 1682357898 GPSBLDGDXLOSNT-UHFFFAOYSA-N 413.931 1.168 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)CCC2CCN(C3CCN(C)CC3)CC2)C1 1685177611 ZJFONTAZOBYPEK-NRFANRHFSA-N 403.615 1.922 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](CCN(C)C)c3cccnc3)CC2)c1C#N 1687676209 KISZDDZKWQALDN-IBGZPJMESA-N 410.526 1.520 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1689825811 CYSNPCYGXNKHEY-ZMSDIMECSA-N 405.524 1.734 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1689986133 JFURPMOBYGGTJG-OALUTQOASA-N 412.515 1.917 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1690080290 NIDICEGGSGDKBX-INIZCTEOSA-N 410.478 1.325 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(C)c1 1690101416 ZOHUXEPPJYOISC-UHFFFAOYSA-N 419.489 1.560 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2cccc(C)n2)CC1 1690128369 BUWLEZJXHPGPGZ-UHFFFAOYSA-N 401.518 1.965 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1690256536 OSIZTRBOHBHUIR-GFCCVEGCSA-N 417.486 1.931 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1690311446 KXUSTWGSNRWVKF-GOSISDBHSA-N 415.542 1.825 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690506462 OOZDQDGMBYXPFQ-MRXNPFEDSA-N 412.498 1.368 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1690514091 TUZRQSNPTPAHGU-UHFFFAOYSA-N 420.539 1.709 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1692571501 DKWGGGUYCJIWJR-MRXNPFEDSA-N 424.571 1.630 30 10 HDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)n1 1693534154 GXNOAMUHZXFZJM-UHFFFAOYSA-N 406.450 1.467 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1696590944 VMHRAGWKBBJMDA-KRWDZBQOSA-N 424.509 1.201 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1697778022 VFKJSARITCJICV-CVEARBPZSA-N 407.471 1.425 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697782460 TVNQOYBZEPJRES-SJORKVTESA-N 415.473 1.360 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1705486213 ZGLURGVPLARYAN-SJORKVTESA-N 421.509 1.099 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1705516518 CTILAHITKNVVMU-QGZVFWFLSA-N 405.568 1.658 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1705567822 AEESWQHCZJTMEJ-MRXNPFEDSA-N 408.549 1.860 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1705575304 GHFSTPYEKSYXPJ-UHFFFAOYSA-N 417.311 1.597 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1705585003 HGFWUWHMSXOKIS-UHFFFAOYSA-N 410.522 1.264 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1705616634 LQQZJOCYZQPJEB-UHFFFAOYSA-N 424.549 1.789 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705659689 CYBSJFRNAIGCEN-HXUWFJFHSA-N 416.551 1.727 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705820948 FNWYWJINSFPKCR-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C)C1CC1 1705849935 ZZXUFWBOZAZGEQ-ZDUSSCGKSA-N 422.559 1.438 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCc2ccccc2)CC1 1705900033 NQQJNPNJIAGHEU-UHFFFAOYSA-N 419.533 1.940 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1705901090 ABSVKOFSIFOESN-UTUOFQBUSA-N 400.405 1.166 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705902888 LQJHQHZPSNJQPI-AZUAARDMSA-N 424.549 1.795 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccoc1 1710729587 FLJUOXBPVLEJNV-UHFFFAOYSA-N 410.482 1.696 30 10 HDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1711126808 AGJUNSWSZZHVAK-OAHLLOKOSA-N 407.434 1.632 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369550 ATRUAXJYSJOOLH-BBWFWOEESA-N 410.540 1.427 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1722381428 QNLXWTQOOKDETR-BZSNNMDCSA-N 412.538 1.190 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1722411764 PDRDLFUPLKDDOH-JOCHJYFZSA-N 422.537 1.390 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1722581140 AXCOEAOEQQBPFX-KBPBESRZSA-N 412.560 1.158 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1722591730 RPHSHUMUCNYVGS-INIZCTEOSA-N 418.542 1.563 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1OC 1740609638 MIKQGROLRDCIPW-MRXNPFEDSA-N 418.519 1.510 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740616460 BLFSZXWQUBSFRO-HNNXBMFYSA-N 409.556 1.333 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740628310 XCWKDZCHRSTKIZ-KZNAEPCWSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1740654698 OLZNHLLGJBCMTG-NRFANRHFSA-N 419.577 1.753 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccc(OCCN3CCCC3)cc2)CC1 1740690717 LWSVQSJYWBXPOG-UHFFFAOYSA-N 408.550 1.865 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1740714615 FFGSFFSEBCXAFN-QGZVFWFLSA-N 409.519 1.808 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1740839606 LTAKYYGBVYMZDL-ZWKOTPCHSA-N 423.583 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740951247 DNFUWKPPPFUCNB-IAGOWNOFSA-N 401.515 1.504 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1741129828 HYLVSWILXYPCBJ-HZSPNIEDSA-N 413.448 1.709 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1747218642 AXJRXXXGXRMEJW-JKSUJKDBSA-N 420.514 1.943 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1748671286 IGHJPMSTNCCKPL-NVXWUHKLSA-N 400.479 1.668 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1748750449 GYNDBMGCPACSMY-JKSUJKDBSA-N 412.498 1.117 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812546 WBLDMPRCUGXBRQ-BQFCYCMXSA-N 419.551 1.961 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748814570 GQFXQMSDNJQPSI-QGZVFWFLSA-N 400.504 1.861 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748851482 FQUGGUYJFRTBOP-GOSISDBHSA-N 404.518 1.972 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1748937651 OIRLEEZNLMOIJP-DLBZAZTESA-N 400.479 1.865 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)NC 1748944225 PQVSARDYAIHNBC-UHFFFAOYSA-N 416.482 1.601 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1749066975 OFCDBFVRKKCCRF-JBYIUTFZSA-N 415.538 1.659 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC(C(N)=O)CC1 1749133684 OYROMPGPFZKVST-UYAOXDASSA-N 410.522 1.947 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1749600379 XCYLWMLFVUAYHW-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCC2)CCO1 1750013656 HPTXUPNJGOMGDH-HXUWFJFHSA-N 423.521 1.254 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760098397 RXXONUZYQNITCO-CHWSQXEVSA-N 411.478 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)CC 1760109728 DDIVHRSSWQSXNX-CQSZACIVSA-N 417.539 1.174 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1760165107 JJYOHULSVGAARD-QFIPXVFZSA-N 419.570 1.623 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(C)c1 1760241006 LMPYPIOQTYQDHC-GOSISDBHSA-N 407.453 1.790 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OC)CCCC2)CC1 1760251595 CSQGLAQTMAGMPB-UHFFFAOYSA-N 400.527 1.229 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(OC)CCCCC2)CC1 1760261170 LYCWDGXWZAQMAJ-UHFFFAOYSA-N 414.554 1.505 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](OC)C1 1760277780 UAQBFDUOUGGHFO-GOSISDBHSA-N 424.534 1.902 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1760495560 RFMUMORZRVOZRB-IRXDYDNUSA-N 405.568 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCNC(=O)C1 1760552369 LOYCXJWPKZAWHT-UHFFFAOYSA-N 409.899 1.136 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760554903 QJEQJHGJWZTIPM-MRXNPFEDSA-N 408.528 1.236 30 10 HDEE C[C@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)COCCO1 1761570019 DWTHQCVWOSPFRS-VLIAUNLRSA-N 419.432 1.681 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763812815 BDJJAEUILIFZAS-IUTYPILCSA-N 418.498 1.170 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)cc2)CCO1 1770751231 CVGMSPXMNJIWMS-SFHVURJKSA-N 403.446 1.140 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCC1 1771564422 IMQDLOBTBLPDSW-FBMGVBCBSA-N 422.449 1.052 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)n1 1848937674 SNDPPUPCLHJZTR-UHFFFAOYSA-N 404.426 1.867 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 1850463365 QBDOFFGOODEFMI-CQSZACIVSA-N 416.421 1.218 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)Nc2nc(N3CCOCC3)n[nH]2)c2ccccc21 1851181288 GCUXBOSOSNRXHN-UHFFFAOYSA-N 411.466 1.667 30 10 HDEE Cc1nc(C(=O)NCC#CCN2CCOCC2)nn1-c1cccc(C(F)(F)F)c1 1852790572 AUMZSWWHMHXUAZ-UHFFFAOYSA-N 407.396 1.660 30 10 HDEE Cc1nc(N(C)C)cc(N2CCN(CCNC(=O)Nc3ccc(C#N)cc3)CC2)n1 1853158222 QBZSJDXPICLGAV-UHFFFAOYSA-N 408.510 1.666 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3c(OC)nc(C)c(Cl)c3C)C(=O)C2)C1 1853610407 DVDADVJRCAXITL-OAHLLOKOSA-N 406.914 1.905 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cn2ccnc2C2CC2)C1=O 1854189318 HELKMDFESIEYBY-MSOLQXFVSA-N 413.522 1.387 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)C1=O 1854219568 NKIFTXVOEISYKW-QZTJIDSGSA-N 408.458 1.801 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cn2c(C)nc3ccccc32)C1=O 1854282589 LQADYNBOKKLUIJ-OALUTQOASA-N 409.490 1.191 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1=O 1854558589 QXMGTTWQWHQIAG-WMZOPIPTSA-N 405.520 1.719 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3coc(C)n3)C3(CCCC3)C2=O)CC1=O 1855174825 AZKKCMUREUHVFV-MRXNPFEDSA-N 400.479 1.501 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3C(=O)O2)CCN1Cc1ccc(C#N)cc1 1855639541 ZSNGNTVQCONHSU-YWZLYKJASA-N 403.438 1.899 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCn1ccnc1C 1856117782 JGYADIUHPQMVDD-UHFFFAOYSA-N 416.503 1.894 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)Cc3ccsc3)C2=O)CC1 1856126286 JLLOKYLGMVAQGD-GOSISDBHSA-N 409.515 1.897 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(Cc4ccccn4)CC3)CC2=O)c1 1856739056 TYHWGMWQJLVGMO-LJQANCHMSA-N 403.486 1.760 30 10 HDEE CN(C)C(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858445897 WHIHHUVBJBKZOG-UHFFFAOYSA-N 414.491 1.558 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)cc2)cc1 1858971391 WNXBVFJXYREOKI-UHFFFAOYSA-N 405.451 1.972 30 10 HDEE N#Cc1c2c(c[nH]c1=NCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCCC2 1859510972 IBBSLEPORWHPGN-UHFFFAOYSA-N 412.515 1.887 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1862182636 MDBSTAHXKZXXKS-ICSRJNTNSA-N 413.518 1.877 30 10 HDEE C=CCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)C 1873841114 MFVBHBORRKOZLK-AEFFLSMTSA-N 407.536 1.530 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3ccc4ccccc43)CC2)CC1 1889435155 LEXLUXRLMIBBNT-UHFFFAOYSA-N 408.546 1.900 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889549013 QXYQJEWJGJFLEH-UHFFFAOYSA-N 419.591 1.724 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC(COc4nccnc4C#N)CC3)cnc2s1 1891435480 NJSBZSULDPEJAX-UHFFFAOYSA-N 411.447 1.052 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CC(COc3cccnc3C#N)C2)cc1 1891567807 SAVWSSZYTSRKLP-UHFFFAOYSA-N 414.487 1.791 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC2CN(C(=O)OCc3ccccc3)C2)c(N)c1 2044242694 YXMNUUABWHZNAQ-UHFFFAOYSA-N 400.460 1.687 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243397803 JLOFTXLJVFMCDX-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2243685843 CNXZLSYWEWQIKD-HUUCEWRRSA-N 408.304 1.875 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2247820305 OFILECYEEHPDBS-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247822083 BRHIMMOXFYAWBN-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[nH]n2)OC1(C)C 2255630876 PZRJFEHUTQQKGE-QGZVFWFLSA-N 421.310 1.559 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2258181001 IFLVRIARRKIHAF-OAHLLOKOSA-N 404.404 1.075 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1cc(Cl)ccc1C#N 2266408972 DFRBAPSFUWJBKZ-UHFFFAOYSA-N 403.888 1.719 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCC[C@H](O)[C@@H]3O)sc2Cl)OC1(C)C 2281975441 MXAKQPCCHCKKAR-NTZNESFSSA-N 401.721 1.705 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282302114 ULHBGVMTWBPUAF-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)c1nc[nH]n1 2282309442 FNJZFFUTNROGDF-QMMMGPOBSA-N 418.737 1.858 30 10 HDEE Cc1cc(S(=O)(=O)N2CCSC[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282325232 BJNJEGSJSBCGIQ-LBPRGKRZSA-N 419.399 1.454 30 10 HDEE CN(Cc1nncs1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282418173 GTULSTAJTKZJLW-UHFFFAOYSA-N 416.359 1.256 30 10 HDEE CC(C)(C)N(CCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498739 IVSCPEWTMQJTTH-UHFFFAOYSA-N 404.363 1.365 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@H](O)[C@H](F)C3)ccc2Cl)OC1(C)C 2282502729 PBPVSKARRVHPOR-KGLIPLIRSA-N 405.684 1.343 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@](C)=O 2282507296 FRWKTJCNJMWBKG-SHZVTRLKSA-N 401.359 1.172 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512800 VUGGAIGCACZCNU-RUZDIDTESA-N 422.765 1.902 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(OCCCO)C3)sc2Cl)OC1(C)C 2282615147 MOSWJEKAGBQFRZ-UHFFFAOYSA-N 401.721 1.924 30 10 HDEE COC(OC)[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282836136 GJPIWBZOFVFODW-LLVKDONJSA-N 405.347 1.641 30 10 HDEE CCN[C@@H]1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282838593 QZAURFSGJZEUHE-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC[C@@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282855425 DPDHJBFGEORRMQ-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)O[C@@H]2C1 2289384688 GZLMHKVDDVUHED-UMSGYPCISA-N 402.513 1.679 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](O)C1 2304822964 MJDQAGPYMYFOAW-LSDHHAIUSA-N 423.294 1.912 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2339668025 PSXBHHIWFJGUFJ-NQIIRXRSSA-N 422.547 1.565 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCSCCO)OC1(C)C 2360814006 FRKUIMOBXVMLPE-UHFFFAOYSA-N 421.777 1.643 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs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c2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1ccc(Cl)c(C#N)c1 55576805 YSJVZZLXJXJEKS-SNVBAGLBSA-N 411.892 1.999 30 10 HDEE C#CCN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)[C@H]1CCS(=O)(=O)C1 111047680 OVGROHOTQBHUFH-INIZCTEOSA-N 415.515 1.407 30 10 HDEE COC1=CC(=O)/C(=C2/C=C3NNC(=O)[C@H]3[C@H](c3ccc4c(c3)OCO4)C2)C(OC)=C1 136860400 VTJFDXQOHBMFHN-WLRAFUTGSA-N 408.410 1.977 30 10 HDEE COC(=O)CCCS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 404977444 LVNDJRSJUWZZEL-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE C#CCN(C[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)NCC)C(=O)OC(C)(C)C 407671820 UTHMQCXCROLNQP-SJORKVTESA-N 401.573 1.897 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 410217922 IFYLKZBGIMDMME-RCCFBDPRSA-N 406.508 1.359 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 432450882 YOHRVTRMMLRWBV-UHFFFAOYSA-N 412.450 1.963 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C#N)cnn1C 438241413 RMDPSSYBZGDMES-UHFFFAOYSA-N 415.269 1.880 30 10 HDEE CN1CCN(C(=O)CC2CCN(Cc3nnc(-c4cccc(C#N)c4)o3)CC2)CC1 440414846 LEUNTEVJGOVAGD-UHFFFAOYSA-N 408.506 1.984 30 10 HDEE C=CCNC(=O)Cc1noc(CCN2C(=O)c3ccc(Br)cc3C2=O)n1 445342836 OYFDOCOSVKTXSQ-UHFFFAOYSA-N 419.235 1.516 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 476678057 XOOPCOSVAFQSKV-UHFFFAOYSA-N 413.503 1.095 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 481343155 ITHYRTTZBPPWEF-AWEZNQCLSA-N 403.460 1.510 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2CCS(=O)(=O)c2cccc(C#N)c2)cn1 488170219 VLLVTQGLNLTDNP-HFJWLAOPSA-N 406.533 1.354 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@]2(CCOC2)C1 508510744 RUIUUDJRGLHFDV-LJQANCHMSA-N 418.523 1.420 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 513565190 FHARUFBVUYCRGO-UHFFFAOYSA-N 406.508 1.281 30 10 HDEE N#CC1(CNC(=O)CS(=O)(=O)CC(=O)Nc2cccc(Br)c2)CC1 515200273 SEMZFBDNIPYJFG-UHFFFAOYSA-N 414.281 1.222 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 515921987 MQRFHKBTTWVGMD-MSOLQXFVSA-N 417.535 1.921 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)N3CCN(c4ccc(C#N)cn4)CC3)CC(=O)N2C)cc1 523838264 XMDLROVPEGWNNL-SIKLNZKXSA-N 419.485 1.830 30 10 HDEE Cc1cc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 524297322 QWQRFQCSLJFRRZ-GFCCVEGCSA-N 414.896 1.877 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1 534756505 KAGZJRZUFKAIJD-BEVDRBHNSA-N 412.515 1.787 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2ccccc2C(F)(F)F)CC1 542211759 ONOHFRDTYWTMMO-HNNXBMFYSA-N 401.429 1.365 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)C1=O 546077420 JRVSAUSBASQYRD-GOSISDBHSA-N 414.487 1.741 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2C[C@H]2CCCCO2)CC1 555470479 XELSCWIWEOKMBX-GOSISDBHSA-N 402.543 1.224 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2[C@H]3CC[C@H]2[C@@H](CO)C3)CC1 570858288 MHEJYWIAKHPDCC-VYDXJSESSA-N 411.462 1.300 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)c(F)c1 586861938 DUFXOCFATIPQOJ-LJQANCHMSA-N 422.460 1.663 30 10 HDEE N#CCN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CC1 609337402 BJVQDBGLDJWTQM-UHFFFAOYSA-N 420.516 1.972 30 10 HDEE COc1cccc([C@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)N2CCCC2)c1 733886068 GHAIHMAHCSAYAF-VEGAHXMMSA-N 412.490 1.865 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 743727924 XPOUAENXMBPNPA-UHFFFAOYSA-N 422.535 1.505 30 10 HDEE Cn1ccnc1C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 745813313 KFEYQOGFMAVUPN-ZBBYCGENSA-N 408.462 1.530 30 10 HDEE COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(C)C)c2)cc1C#N 746886639 KCNODZQMOULWHB-UHFFFAOYSA-N 403.460 1.756 30 10 HDEE Cc1nc(Cl)ccc1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 758001739 ZTAZZHBBIUMHOG-UHFFFAOYSA-N 418.906 1.991 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1 762392128 ZXWUFGFTSQCUBR-GOSISDBHSA-N 402.476 1.787 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)NS(=O)(=O)N1CCC[C@H]1C(=O)OCC 766870099 QLYWIYBVPZQSTG-HNNXBMFYSA-N 412.464 1.262 30 10 HDEE COc1cccc([C@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCO2)c1 766982489 IDJDYPLOGAGXQR-JLMFCZBYSA-N 400.435 1.305 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 767701824 CVGAPUWHMJYFPA-INIZCTEOSA-N 419.503 1.537 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)c1 768073042 UAAFXRMXGDNZRP-KRWDZBQOSA-N 415.519 1.039 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2C)N(CCc2nnnn2C)C1=O 771538960 QGSGOTDAEMQGAO-CYBMUJFWSA-N 421.914 1.482 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 774262418 HMTOQFHCPFFJRC-ZBFHGGJFSA-N 402.476 1.672 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 775985572 CPPWCDMTKPNEKE-FWLDDUTDSA-N 421.523 1.617 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2 782401259 CIZHRCIQLPWAGS-JTQLQIEISA-N 424.251 1.945 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)n1 788559532 WXQKHPCQVOHPQT-UHFFFAOYSA-N 413.478 1.664 30 10 HDEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 789809226 DVASMEICZHRBOR-HNNXBMFYSA-N 408.462 1.833 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 790109300 VBIHCQUZQDGRPB-UHFFFAOYSA-N 402.407 1.731 30 10 HDEE C#CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@@H]1CCS(=O)(=O)C1 792275316 LHYZIQNWTFXAGH-HWOWSKLDSA-N 421.485 1.624 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CCNC(=O)CC1 815423613 JUGKTHLFYNYWCS-OAHLLOKOSA-N 404.467 1.411 30 10 HDEE COC(=O)c1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1 1084171373 QPJSRYXXQVKOJX-UHFFFAOYSA-N 414.451 1.502 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1129499350 HBFOJFVBBZLMJN-RTWAWAEBSA-N 408.458 1.527 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCNC2=O)CC1 1136704388 UUOJWKLGBCCDNC-JKSUJKDBSA-N 405.296 1.684 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn(C[C@@H]3CCOC3)nn2)C1=O 1139683987 MEDSHNYIHMWLNM-LIRRHRJNSA-N 406.487 1.630 30 10 HDEE CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)Cn1cc(C#N)c(O)nc1=O 1141375316 WTYXMSNXYVWBRN-UHFFFAOYSA-N 423.351 1.115 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1141833814 UELIHPSECONYIT-FGFCHNDYSA-N 404.511 1.886 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(C)C 1144204456 PRNZDEFVXUIUSR-ZWKOTPCHSA-N 422.570 1.879 30 10 HDEE CN1CCCC[C@@H](C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1146299603 UZOGIDNNHPCRAX-GOSISDBHSA-N 406.490 1.855 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1 1152041047 FJQFTDOFRUJKDS-UHFFFAOYSA-N 403.526 1.427 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1161610255 WELYIOPKGQBHKL-ZDUSSCGKSA-N 403.298 1.008 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)C1 1164495657 USVSAMPYRUDFEL-QGZVFWFLSA-N 406.368 1.467 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C[C@@H](O)c2cccc(C#N)c2)CC1 1167420642 HSPNFEYWFIELMU-MRXNPFEDSA-N 405.442 1.880 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NOc2cccc(C#N)c2)CC1 1171245027 COHLAJUHUMRGAM-UHFFFAOYSA-N 403.464 1.409 30 10 HDEE C[C@@H](C#N)S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1193129184 VMOBVOQBZRQSHF-ZDUSSCGKSA-N 420.532 1.580 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)cc1 1193997895 IQNYKSZYKYQAMZ-IBGZPJMESA-N 407.536 1.369 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OC 1194895991 DYRHPIOKERMGMC-AWEZNQCLSA-N 408.473 1.373 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)[C@@H]1CCCOC1 1197844294 BTVTYSCEGHVGDB-FGTMMUONSA-N 406.552 1.488 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1 1211934526 ZMHFLUCGAXIUAR-UHFFFAOYSA-N 401.554 1.354 30 10 HDEE COC(=O)c1ccc(CNS(=O)(=O)c2ccc(C#N)c(Br)c2)nc1 1212343312 CPBGDUMKVCWFNY-UHFFFAOYSA-N 410.249 1.981 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1212420272 CBZWSMYKUXFDCT-UHFFFAOYSA-N 413.507 1.551 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)cnc1OC)[C@@H]1CCS(=O)(=O)C1 1231133525 TUALLDARRDXTBS-CYBMUJFWSA-N 416.297 1.185 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)c1nnc(O)n1C 1251152118 LJGUZDPOYMUMAK-CYBMUJFWSA-N 421.465 1.375 30 10 HDEE CC[C@@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)C1 1253392076 AXTJELHXUORBLC-UHPIZROJSA-N 406.483 1.666 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)c(C(=O)OCC)c1C 1264357676 WEIPOBIMCXGGJZ-WDEREUQCSA-N 410.448 1.547 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1C)[C@H]1CCS(=O)(=O)C1 1264995584 LNYRIEUHIUOJET-AWEZNQCLSA-N 400.522 1.061 30 10 HDEE COCCCn1nc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)ccc1=O 1270686105 NPTHURUWBZCQFZ-UHFFFAOYSA-N 415.881 1.767 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1286336058 OJIGXRCMKPNVAB-UHFFFAOYSA-N 402.543 1.913 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC1CCCCC1 1286358128 ARLOPTUSLKOLEY-UHFFFAOYSA-N 409.494 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(OC)cc1OC 1286397998 FSRDTYODOXNKGC-UHFFFAOYSA-N 409.490 1.749 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC 1286464010 PKVGYPDWLJBJRN-UHFFFAOYSA-N 420.491 1.195 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(C)(C)O)CC1 1286491151 HIERMJXPINOSFO-UHFFFAOYSA-N 413.497 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCOCC(=C)C)CC1 1286491465 SQDZFVWVESJFEW-UHFFFAOYSA-N 422.533 1.822 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCS(C)(=O)=O 1286561007 LKCBFNNERRMCFI-NVXWUHKLSA-N 420.539 1.587 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C)C1 1286561616 CDODBALSKLOAEU-PFRQMTDMSA-N 403.527 1.995 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286607389 OWOZXCQLXRLVCG-UZLBHIALSA-N 402.499 1.656 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286725573 WADRJRAHZZHCEZ-XPQZIERPSA-N 405.543 1.674 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1286790203 KFNKJJIPQWXYLC-UHFFFAOYSA-N 410.522 1.424 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)ccc1F 1288947639 PRLFATDWCPCDMW-RFUYNDQBSA-N 412.483 1.746 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1COCCO1 1291605099 GNDNBFAMJLBIRD-FUHWJXTLSA-N 411.510 1.800 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)CC2)o1 1295337625 CKOBIAHRPUAWID-GOSISDBHSA-N 412.494 1.777 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H](CO)Cc3ccncc3Cl)CC2=O)cc1 1297288645 AWTGHEAVEZJMAB-DOTOQJQBSA-N 412.877 1.927 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnc4n3CCOC4)C2)C1 1297303407 GNLKLXLPDZMKQN-LQZXRHCMSA-N 416.482 1.211 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(c4nc(N)n[nH]4)CC3)ccc2c1=O 1298722116 JGHJOJGOEBIOHE-UHFFFAOYSA-N 411.491 1.591 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1299674803 DKLOQOIKNRVKHW-CSFVBSKPSA-N 414.911 1.171 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1cccs1)C1(CO)CCC1)c1cc[nH]n1 1299966937 QVTWKWRDHIPFHM-QGZVFWFLSA-N 420.491 1.775 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300272051 KJNVUBQOSVHYNU-UONOGXRCSA-N 418.523 1.353 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300298280 BKQUFMNTJANGMG-WMZOPIPTSA-N 410.526 1.136 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(C(N)=O)CCOCC2)c1 1300344081 FCPAZIYPHWWSMH-OAHLLOKOSA-N 412.494 1.832 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300423873 AHOXJGYCGBIVCA-WAOWUJCRSA-N 406.527 1.972 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1c(C)cccc1C 1300457807 BAJJOLMUGNAHCH-INIZCTEOSA-N 415.519 1.505 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC 1300579815 XEDCIMMYMGJDKO-SFHVURJKSA-N 407.474 1.758 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)CCC)CC1 1300708177 PMCRKVJVQUNQFY-UHFFFAOYSA-N 412.586 1.627 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCn2ccnc2C)CC1 1300719819 RJAWGXFROJKRNA-UHFFFAOYSA-N 420.521 1.455 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300996327 DCRMNGVUHBSLGO-DLBZAZTESA-N 416.482 1.847 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301155295 LOHQSCJNSBPILY-JKSUJKDBSA-N 400.527 1.718 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1301258703 YLDAOHMISJGAAY-IBGZPJMESA-N 423.521 1.968 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cscn2)nnc1[C@]1(OCC)CCOC1 1301520232 VMTCINXLUHYOBV-SFHVURJKSA-N 406.512 1.325 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1301557086 MJRPJSWPTSRPQP-UONOGXRCSA-N 409.537 1.466 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCOCC2)C1 1301557191 NFONVFCBWLAZFI-MOPGFXCFSA-N 405.543 1.676 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccsc1 1301809699 PABDCLDZNMALLM-MRXNPFEDSA-N 423.564 1.851 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cncs3)CC2)c1 1301926546 YIYHUXBATFZDRY-UHFFFAOYSA-N 403.529 1.898 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCn2c(nnc2-c2cn(C)cn2)C1 1302574470 GHVZIUPPMWEGQH-IBGZPJMESA-N 405.462 1.996 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccc3F)n2CCSCCCO)CCO1 1303003021 AZELNKFKEPZSLV-INIZCTEOSA-N 405.499 1.852 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1303046092 IUBRLNBRMJSFFJ-LSDHHAIUSA-N 411.480 1.439 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC(=O)NCCc1ccccc1 1303633333 FLITUURHBACYCO-INIZCTEOSA-N 406.494 1.776 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ccncc3)C[C@H]2C)cc1S(=O)(=O)NCC#N 1303790739 IPELDOSETODRQI-MRXNPFEDSA-N 413.503 1.543 30 10 HDEE CO[C@@H]1C[C@@H]2CN(CCS(=O)(=O)c3cccc(C#N)c3)Cc3cccnc3N2C1 1307999537 MEEJPWWAUDTAQJ-RTBURBONSA-N 412.515 1.836 30 10 HDEE C=C(C)[C@H](NS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(F)c(F)c1 1309417514 AQXCCHFYXMAHQF-LRDDRELGSA-N 408.492 1.783 30 10 HDEE C=C[C@H](COC)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1312558528 IQYUUFVSGUSROH-HUUCEWRRSA-N 411.499 1.819 30 10 HDEE C#C[C@H](NC(=O)NC[C@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 1312937754 SHDBSHJRJNDFPH-GOEBONIOSA-N 415.309 1.626 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CS1(=O)=O 1312970253 HPKDZFPHXLUHSI-OCCSQVGLSA-N 407.496 1.221 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCCCCO)cc1 1316534110 OWBPYWMKVOTHNW-QFIPXVFZSA-N 424.505 1.608 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1320078856 XTLQMBGHIXUVGR-KRWDZBQOSA-N 423.535 1.250 30 10 HDEE COC(=O)[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc(C#N)cc1 1329334457 ZIJYPVMOWVAOHL-IUODEOHRSA-N 407.473 1.925 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)C1CCC(NC(=O)C2CCCC2)CC1 1354425584 AVEZRSSVGTXGFR-UHFFFAOYSA-N 414.510 1.922 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1nnnn1CC1CC1 1358897729 FMAZIQYRGWYJOP-CQSZACIVSA-N 410.457 1.899 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCOCCN(C)C 1358992308 IEUGGZAUJYRVNY-UHFFFAOYSA-N 412.494 1.047 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1358999483 SKCVCGYQASJYFX-INIZCTEOSA-N 404.478 1.844 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCc2ccn(C)n2)CC1 1359031677 LNBMBSUDFIQTKQ-UHFFFAOYSA-N 420.477 1.585 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1359054741 FSDIKLSBDNMTFO-MRXNPFEDSA-N 408.535 1.904 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359292464 PVCHKWCPRWGGOZ-CVEARBPZSA-N 424.571 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359331694 GFYVDMHKALVOIU-KXBFYZLASA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359332413 WZBYSWCGNOEFKJ-HNNXBMFYSA-N 409.556 1.594 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1360618664 FSSABSMDXMEXKA-CYBMUJFWSA-N 402.480 1.666 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(CCC#N)CC2)C1 1454912288 YPRZWXNOGSRKJD-SIKLNZKXSA-N 414.506 1.860 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC)c(OC)c1C)c1cc[nH]n1 1456131541 XUXAEVJTHYSASG-UHFFFAOYSA-N 404.423 1.336 30 10 HDEE CCN1CCN(C(=O)CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1457837532 DFLUPEZDAOFVBJ-INIZCTEOSA-N 409.531 1.244 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1461931411 JYPDTIXWWMTZLF-ORAYPTAESA-N 409.845 1.791 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(C[C@@H](O)CO)c1 1464719979 JYKUKLJDMGUNIZ-OAHLLOKOSA-N 412.259 1.966 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)CS(=O)(=O)CC)s1 1465175150 JWAQCKSWVAWRJO-LBPRGKRZSA-N 408.567 1.037 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 1469762443 MCLMDERYORCZCD-FCGDIQPGSA-N 410.474 1.894 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCc2ccccc2NC1=O 1470667650 BBNHAWMEPXJRSB-WMLDXEAASA-N 405.462 1.522 30 10 HDEE COc1ccc(N2C[C@H](NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)CC2=O)cc1 1470757252 GATBEQPNPSBVGO-APWZRJJASA-N 421.457 1.930 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC[C@@H]4CNC(=O)C4)CC3)n[nH]2)cc1 1471264923 FNOQLKPNKMMVHS-INIZCTEOSA-N 407.478 1.306 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCOC)C1 1471336645 LQMZEILXDBSITB-ROUUACIJSA-N 408.543 1.751 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-c3ccccn3)n2)c1 1471572107 KKDJBXBTQZDOPP-UHFFFAOYSA-N 409.471 1.933 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1471851912 NNFNIOOFYVVXNY-XCLFUZPHSA-N 414.466 1.388 30 10 HDEE CCN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N(CCC#N)CCOC 1475806870 FBOBCVNZWBMHSC-MRXNPFEDSA-N 418.560 1.815 30 10 HDEE Cc1cc(S(=O)(=O)NCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)c(C)s1 1478250931 PAZDIJIHJRFDDM-QGZVFWFLSA-N 418.544 1.982 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1494194539 YOSQWYCIFUVVCJ-UPJWGTAASA-N 408.484 1.015 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC(C)C 1507529464 ZGNQQVBQNRVXHQ-AWEZNQCLSA-N 419.507 1.460 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507648120 KIVIRACGETWLSY-QGZVFWFLSA-N 417.448 1.291 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1507679076 GIORRKFMTAJHPF-AWEZNQCLSA-N 403.508 1.426 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC2CC2)CC1 1507720494 HUSQNHUFJHJDGF-UHFFFAOYSA-N 413.913 1.275 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508084009 FJNMLBGRGUSRJJ-GOSISDBHSA-N 423.565 1.877 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C(N)=O)nc2)C1 1508117398 MREYVUWFNOWZOX-KRWDZBQOSA-N 405.462 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1508146108 UFGVARMTBLKFPH-MRXNPFEDSA-N 406.556 1.805 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508159400 NJPSLWUJLWNDEL-HZPDHXFCSA-N 421.567 1.923 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)CCO1 1508376587 OBKLIQXXFXSAQH-FXAWDEMLSA-N 424.505 1.585 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1513701923 RANHGDFNYFTJDQ-SJORKVTESA-N 410.478 1.427 30 10 HDEE CCCNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1515086207 SGXWSVUXZLZIND-QOKNQOGYSA-N 408.478 1.360 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C#N)cc2F)cc1 1517274174 DBHOZYYHUFKGRP-UHFFFAOYSA-N 404.419 1.715 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1518638609 GBJRGJGOXHMNRG-QZTJIDSGSA-N 410.478 1.195 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1519520941 BGERIDXFFFIXNC-HZPDHXFCSA-N 411.528 1.116 30 10 HDEE COC(=O)[C@H](CC1CCOCC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1536563700 PCKRHJHHTCLMQX-SFHVURJKSA-N 413.478 1.625 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOC2=O)cc1 1539337873 NNJFKYHTAHRKEB-UHFFFAOYSA-N 422.489 1.979 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2([S@](C)=O)CCC2)n1 1539424962 ZVTNEBMEAKHTPX-NDEPHWFRSA-N 404.540 1.370 30 10 HDEE COCCOC[C@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1539493858 IEUNSNAXKVPLNJ-WMZOPIPTSA-N 414.462 1.275 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1540607449 NSCUHBOXNLJUNS-KRWDZBQOSA-N 422.526 1.671 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(CNS(C)(=O)=O)CC2)cc1 1540877584 ZLMJDAOYECZPEK-UHFFFAOYSA-N 419.551 1.965 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSC)C1 1540892288 JEDGQFFAPFCPBM-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1540905527 STAMJRJYGFLVNC-UHFFFAOYSA-N 424.571 1.071 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1540917091 NMQDVXXLPOYEAJ-HNNXBMFYSA-N 415.585 1.519 30 10 HDEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)cnn1C 1542077389 CYHJRCOFVHWLJM-GOSISDBHSA-N 404.478 1.774 30 10 HDEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)cnn1C 1542078762 DYJLBTFIFCJLEA-QFIPXVFZSA-N 418.505 1.973 30 10 HDEE COc1ccc(C(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1544638273 CNMVSXWOZYHVQY-UHFFFAOYSA-N 419.434 1.291 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H](C2CC2)O1 1544754338 DMVIOCZIVJPVAW-KBXCAEBGSA-N 415.519 1.865 30 10 HDEE Cc1cc(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)cc(C)c1C#N 1544946744 LOCZMBVDYCJOBE-UHFFFAOYSA-N 419.441 1.920 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OCC)CCOC1 1547245836 DJALJSNHSQOBAW-RTBURBONSA-N 408.478 1.288 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)C1 1555983855 FJNAQBJHEDCDGX-FQEVSTJZSA-N 419.505 1.068 30 10 HDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(O)C2=O)c1 1556750079 YNIZFLAVFDTPTI-DYVFJYSZSA-N 415.471 1.546 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCO[C@@](C)(C#N)C3)ccn2)CC1 1558602301 LWNZZSYKSJDQKA-NRFANRHFSA-N 415.494 1.893 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)C[C@@H]2C1 1560196407 GFHUMBFWFGTWSF-IAGOWNOFSA-N 420.535 1.916 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)nn1 1561819742 HWAWBDCTFKPYET-UHFFFAOYSA-N 406.436 1.329 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)CC1 1562632041 HIFABIFIIPTKOI-UHFFFAOYSA-N 413.478 1.666 30 10 HDEE CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1565629672 FRWMYWIOLJIZSC-ZFDMEJTGSA-N 408.499 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1587562348 OGGGOWWUKZCOCE-SQWLQELKSA-N 424.596 1.711 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1587567969 LTWNCGLATZBKJO-UWJYYQICSA-N 405.543 1.499 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1=O 1588248721 ANXCTCDFQLSCMS-UONOGXRCSA-N 408.252 1.542 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Oc2ccccn2)C1 1588975547 HETKVVRYIORCJZ-INIZCTEOSA-N 414.535 1.835 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](c2ccco2)N(C)C)CC1 1594014872 WXGQQKKUFXXCDW-HOTGVXAUSA-N 422.555 1.941 30 10 HDEE C=CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1594660591 LPGPMMWHFXRGRU-NQIIRXRSSA-N 405.543 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595523049 OBHMNCQFSSXZIR-UHFFFAOYSA-N 423.521 1.481 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CCCO)C1 1595715270 UOPSMANCMUGIPS-ROUUACIJSA-N 413.526 1.363 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1nn(-c2ccc(F)cc2F)cc1O 1596375386 FNSMVSJWJOBTSM-UHFFFAOYSA-N 401.377 1.738 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C1CC1 1597504810 PUBXXVJYWRXSBW-HUUCEWRRSA-N 404.471 1.650 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1609506756 HTTJEVFTBALFEN-QGZVFWFLSA-N 412.494 1.421 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(N(C)C)CCOCC1 1612600198 XVUDJHNPHYDADE-UHFFFAOYSA-N 410.526 1.291 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1614864835 SIEMVBKDPIVMEQ-GQIGUUNPSA-N 403.506 1.936 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@H](F)COC 1616912523 WBTLHRLSNBYCAO-HNNXBMFYSA-N 420.493 1.039 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)NCc2ccccc2COc2ccccc2)CC1 1618010377 DSPTUXAZLDVPRR-UHFFFAOYSA-N 406.486 1.940 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1nnc2n1CCCCC2 1619967371 BQRLGXAANPAROC-HZPDHXFCSA-N 416.530 1.964 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635207 FVBVARWOZOZZAE-MQIPJXDCSA-N 412.309 1.646 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(N)=O)c2ccccc2)s1 1625049024 DTZGRJHCVLONBY-HNNXBMFYSA-N 407.517 1.488 30 10 HDEE COc1ccc([C@H](CO)N(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1631748359 DASCUUQXPHJZTL-SFHVURJKSA-N 403.460 1.037 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCCCS2(=O)=O)C1=O 1635568067 JDNHPZFDPJPHDJ-QGZVFWFLSA-N 402.517 1.114 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)NCC2(C#N)CCC2)C1 1636272238 WCZWFJHAGOHOLH-HNNXBMFYSA-N 407.515 1.743 30 10 HDEE C=CC[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OCC 1638326936 ZNSUUWWXIYIUBD-ZIAGYGMSSA-N 418.512 1.035 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](c2ncon2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1638820748 DIGSCBXKPVBQGQ-CHWSQXEVSA-N 403.464 1.293 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCn3nnc4ccccc4c3=O)C2)nc1 1638906149 LKTHJXPQWWVUIK-INIZCTEOSA-N 403.446 1.551 30 10 HDEE N#CCc1ccc(CNC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 1638989335 OQAKDZVDMNNTRE-SFHVURJKSA-N 404.426 1.299 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C1 1640219169 QGNQWTXJPKJTRO-OAHLLOKOSA-N 402.451 1.696 30 10 HDEE COCCn1cc(CN=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)c(O)nc1=O 1640325652 CLWVGAWTVARFBE-UHFFFAOYSA-N 405.336 1.466 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)CNC(=O)c2ccc(C#N)cc2)CCOCC1 1641534461 QIHAJGKJWSNCIT-UHFFFAOYSA-N 416.478 1.478 30 10 HDEE C#C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1641574602 PNVHFYOBJDFSQV-CYBMUJFWSA-N 404.410 1.216 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1641858255 MXTOMQBESKHJDM-IRXDYDNUSA-N 407.511 1.294 30 10 HDEE Cc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nc(-c2ccc(Cl)cc2)n1 1641970204 BPAHWMIEERYULX-UHFFFAOYSA-N 410.821 1.669 30 10 HDEE N#Cc1cn(CCC(=O)N2CCc3ccc(F)c(Br)c3C2)c(=O)nc1O 1642086307 JHLKSVQQYDNKIM-UHFFFAOYSA-N 421.226 1.697 30 10 HDEE COCCN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1642107906 XBWPGVWDHMVXGJ-KRWDZBQOSA-N 423.267 1.215 30 10 HDEE CCc1nnc(N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)c(C#N)c1CC 1643118186 ANZIBSLPMFSZDU-UHFFFAOYSA-N 414.535 1.708 30 10 HDEE CN(C)CCC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CCO1 1643980430 IPRFTDXPCRBNNT-MOPGFXCFSA-N 419.595 1.500 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 1644341959 YWERMXRWRTUXRV-OXQOHEQNSA-N 421.567 1.160 30 10 HDEE C[C@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)CCN1C(=O)c1cscn1 1646045600 QVKIKEMCCQHUMH-HNNXBMFYSA-N 408.483 1.589 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)CC1 1646157672 ZSFCLNVDWUBISE-UHFFFAOYSA-N 421.700 1.350 30 10 HDEE CCOC(=O)Nc1ccc(Cl)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1648028963 SYWQPJUMUSUMOI-UHFFFAOYSA-N 417.809 1.739 30 10 HDEE Cc1ccc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)cc1S(=O)(=O)NCC#N 1650709220 WTXDBDQEDJBAHT-UHFFFAOYSA-N 401.370 1.469 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1=O 1652920123 VCLADNZWYKKPPR-PWRODBHTSA-N 410.518 1.791 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1654075309 WDKZYPNEWGALHO-NSHDSACASA-N 419.463 1.053 30 10 HDEE N#Cc1ccsc1NC(=O)CN1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1655035428 YXSYZCJPGYWORM-BXUZGUMPSA-N 407.439 2.000 30 10 HDEE Cc1csc(C[C@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1655686696 IXXHAVHOGANDJT-MRXNPFEDSA-N 414.535 1.833 30 10 HDEE O=C(CN1C[C@H]2CS(=O)(=O)C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 1655748979 ADSSPYYLJRHFEM-GASCZTMLSA-N 400.422 1.150 30 10 HDEE N#Cc1cc(NC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)ccc1F 1658947433 FTUASEBBUDZYKV-UHFFFAOYSA-N 417.466 1.881 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(C)nn(-c3ccccc3C)c2C)CC1 1659906872 PANSLQPPVADCOD-UHFFFAOYSA-N 401.536 1.383 30 10 HDEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660315688 XIPQOQOIRGGGCW-LXIYXOSZSA-N 411.911 1.854 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1 1667209104 UDBHRXJVWRDYEH-NRFANRHFSA-N 409.511 1.780 30 10 HDEE C=C1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 1672505948 RJGUVEOHZKPBRF-HNNXBMFYSA-N 413.521 1.336 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1673202667 MKOIZIXNZLHRLB-UHFFFAOYSA-N 411.550 1.248 30 10 HDEE C#CC1(O)CN(C(=O)N[C@H]2CCCN(c3c(C)cc(Br)cc3C)C2=O)C1 1682192902 HSUIDJVWSDXIID-HNNXBMFYSA-N 420.307 1.951 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)C1 1683989082 UUODWGTUABOBHZ-KPFFTGBYSA-N 414.554 1.505 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1689980093 LMJYOGVBNVJTAA-HOTGVXAUSA-N 423.583 1.723 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CCOC 1690022925 YSPRIOUMPPAVCD-JOCHJYFZSA-N 406.490 1.377 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)COCCO1 1690056017 BUHPZRLBDREGBX-BBTUJRGHSA-N 402.495 1.271 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCNC(=O)c2ccco2)CC1 1690119892 WXLCWUFKVVFREE-UHFFFAOYSA-N 422.464 1.862 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690125918 QFJMTBPPHDMGMG-VGSWGCGISA-N 413.497 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2ccncc2)CC1 1690146583 REPNEOHWEJIXGQ-HXUWFJFHSA-N 422.533 1.776 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCOC1=O 1690215745 BTTJDXQRKITUGU-XGHQBKJUSA-N 417.510 1.837 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCC2)CC1 1690361557 YNROEGZUEFWWLG-UHFFFAOYSA-N 407.540 1.638 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1690690287 VSBFZFPXLWZVJY-QGZVFWFLSA-N 416.507 1.147 30 10 HDEE CNC(=O)c1ccc(CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1696929273 VNVXHCBMUMSESF-CZIZESTLSA-N 423.477 1.109 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)c1 1697522586 CKNPISBUPDQGMT-KRWDZBQOSA-N 412.494 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(OC)CCOC1 1705486038 VRPBRVFVKADIER-FOIQADDNSA-N 408.466 1.184 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559549 CJZZRDNUEQPYIG-HZPDHXFCSA-N 423.583 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn2ccccc12 1705587782 IPBVFLRYXWCTCH-PXNSSMCTSA-N 404.474 1.771 30 10 HDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1705752690 DAWWDVJWDVEFAS-UHFFFAOYSA-N 418.910 1.513 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705825574 XDZYNZZDVDKVRO-OXQOHEQNSA-N 407.515 1.393 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705841417 ALLUCGNIPUKFCP-GJZGRUSLSA-N 411.514 1.352 30 10 HDEE C=CCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1705893306 BPAMJUIPWXTUCZ-OALUTQOASA-N 410.540 1.520 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1cccc(C)c1 1705900956 VRBHJPVCSICFKG-UHFFFAOYSA-N 409.494 1.804 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1710114070 RYQFRNHQXOCRCI-UKRRQHHQSA-N 422.511 1.407 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2C)CCO1 1711360353 GTBGIQWNMCADLA-SNRMKQJTSA-N 424.505 1.441 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCOCC(F)F)cc1 1712878506 GFZGKGDOSGSSPN-HOTGVXAUSA-N 416.432 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1722288872 IXEYEUUCODDODI-INIZCTEOSA-N 406.494 1.416 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(OC)c1 1722290959 CLPMQEGLGKEMEG-OAHLLOKOSA-N 405.462 1.632 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722330443 TUINZSFOQXYDCG-UHFFFAOYSA-N 417.517 1.983 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722368574 SCBXVJVYKFWONC-IAGOWNOFSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1722377540 AVMGLGGPSAWYCR-NRFANRHFSA-N 418.545 1.961 30 10 HDEE C=CCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722622121 FWJIQVVAFGLXST-NQIIRXRSSA-N 405.543 1.806 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722625487 UUALUECBIWEFMX-UHFFFAOYSA-N 411.510 1.777 30 10 HDEE C=CCN(C)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1722643674 WOQQMLRWUSWXFF-FQEVSTJZSA-N 420.535 1.646 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1722686571 LAMQWJPVIIWIHR-MRXNPFEDSA-N 410.526 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H]1CCOC1 1722700073 VKOVADHBMUKLKE-CQSZACIVSA-N 405.449 1.922 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722739894 YNKHMFXKXJRSEZ-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1728193741 ONLSRLWRJUQAHO-QGZVFWFLSA-N 412.494 1.870 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1729304263 CXPZBLDBPHEJOL-IAGOWNOFSA-N 407.478 1.010 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCCn1cnnn1 1729409361 GJGVLGWOVDRSFW-UHFFFAOYSA-N 414.477 1.849 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCC[C@H](C)C1 1730874286 INLGMURKSOZBHD-INDMIFKZSA-N 420.558 1.851 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](C#N)C1 1731017421 RTGYBDKHUDCLPR-CYBMUJFWSA-N 424.914 1.267 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740627623 RNMUZYFEAYZBRQ-AWEZNQCLSA-N 404.483 1.385 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(O)CCN(C(C)C)CC1 1740642140 KKXDGEYVTXMRBA-UHFFFAOYSA-N 406.534 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCC[C@H]2C)CC1 1740705858 NHYBQOUHTLFTSU-NXHRZFHOSA-N 412.538 1.631 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCOCC2)CC1 1740718134 IHSTXPABEFVHSO-SFHVURJKSA-N 419.595 1.840 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1740759997 NIXWXAKTZTXZGO-WIYYLYMNSA-N 418.586 1.668 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740793805 XUEVZGUMSCDRDV-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)C)CC1 1740839991 RHHZILRBVUTCBX-INIZCTEOSA-N 409.556 1.497 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1740880365 GIEPYRPUGZJXQB-FVJLSDCUSA-N 421.542 1.782 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1740962254 XFERSQFGZCAGFG-GJZGRUSLSA-N 417.583 1.855 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1741993355 IBYDEZYVCKDJJY-ROUUACIJSA-N 408.506 1.707 30 10 HDEE CCn1cnnc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1746368970 ODKKNUXIDRMMMJ-RDJZCZTQSA-N 414.514 1.792 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1cccc(F)c1 1748766616 SYDBVJPEBKMTLH-HOCLYGCPSA-N 423.514 1.954 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cccnc2)n1Cc1nnn(C)n1 1748944128 MPZIQFKPKQJQGW-UHFFFAOYSA-N 403.425 1.691 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCC(=O)N(C)C)CC1 1748984484 SOZGAGIWZJXUCH-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1748993259 SNKGZOQZBAHRMJ-UHFFFAOYSA-N 424.549 1.405 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1 1749158647 JYZBZYCWNXBJKZ-QGZVFWFLSA-N 422.555 1.474 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)CC1 1749329805 RZSYOQLBQYRXSP-IFXJQAMLSA-N 423.539 1.791 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1749505844 AQQJUWQUNOMIIG-GOSISDBHSA-N 404.559 1.928 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2snnc2C)C1 1749712239 GYRGFTRHCXGNKL-KGLIPLIRSA-N 424.552 1.170 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1749736648 NBQOSGMBWTYHBD-SJLPKXTDSA-N 419.551 1.868 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC(C)(C)C1 1749941719 KELHFJZTTVAAIO-KRWDZBQOSA-N 420.558 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760120155 ISASKRXTOVIYDP-WMZOPIPTSA-N 416.547 1.965 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1760144557 SZTBOXZAYHJRPL-HNNXBMFYSA-N 418.523 1.598 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760160427 DAXFIWMZJXYBTN-LAUBAEHRSA-N 403.527 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CCn2ccnc2C1 1760251262 VAMJNRDAUYESCA-IBGZPJMESA-N 405.506 1.809 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCC2CC2)CC1 1760261112 KVVFSNZYPHCHCE-UHFFFAOYSA-N 422.533 1.447 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2nc(C)nc2C1 1760287001 CCHKBTKQXXLCSU-RDJZCZTQSA-N 417.539 1.289 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1760448687 MJILORDGPMXPBX-UHFFFAOYSA-N 424.509 1.463 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2cccc(O)c2)CC1 1760520554 RSEZHWBOYTTYFM-UHFFFAOYSA-N 419.489 1.675 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)C1 1760539159 YTXZQCSZZNZQRM-WIYYLYMNSA-N 416.526 1.882 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)c2ccc(O)cc2)CC1 1760550930 ODRABMHEZHMFMI-UHFFFAOYSA-N 418.519 1.992 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCCC[C@H]1C 1761238873 XTHODXHLIOBDDK-QZTJIDSGSA-N 417.558 1.800 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1764697183 NNTKLWHISGAYFI-HOTGVXAUSA-N 412.494 1.821 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1766618751 MBIROWWJCOOXOL-UHFFFAOYSA-N 424.505 1.872 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1767605701 ZCNKNESGUIUKMN-JLTOFOAXSA-N 416.482 1.477 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1848850890 MQDCULZSLLCTPM-UHFFFAOYSA-N 404.536 1.777 30 10 HDEE CCOc1ccccc1N1CCN(C(=O)CNC(=O)Cc2ccc(C#N)cc2)CC1 1851222195 GSSDOXBRTJSWPC-UHFFFAOYSA-N 406.486 1.964 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(Br)cc2)CC1 1852652672 AHLUUPIOSNJYFM-ZDUSSCGKSA-N 416.341 1.446 30 10 HDEE COC(=O)C1=C(NC(=O)[C@H]2CN(C)C=N2)c2ccccc2[C@]1(C#N)c1ccccc1 1852917644 QNOFFFGQZQHBDP-JPYJTQIMSA-N 400.438 1.852 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N[C@@H]1CCN(c2nccn3c(C)nnc23)C1 1853219609 DAWHVDAMNZDPTR-OAHLLOKOSA-N 407.434 1.087 30 10 HDEE CCC[C@H](F)C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853692413 ZXYUENDWACBZPR-ROUUACIJSA-N 406.502 1.726 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C(C)(C)C2=O)CC1=O 1853734495 QXWNOPGILKWKCX-AWEZNQCLSA-N 400.504 1.604 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(Cn4ccnc4)CC3)C2=O)CC1=O 1854057648 VBRDNZLZIYXTDA-MOPGFXCFSA-N 413.522 1.147 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccc(Cl)n2)C1=O 1854099510 LVOIMVYGKARCDB-HZPDHXFCSA-N 404.898 1.975 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cccc(OC)c2OC)C1=O 1854186595 RLARVLRMMSKRPQ-JKSUJKDBSA-N 401.463 1.164 30 10 HDEE CCCC[C@@H](F)C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283916 QEYIKXBUHBUXSQ-NVXWUHKLSA-N 402.474 1.515 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@H](C)C1=O 1854632630 JCBIXKAXYBHLQU-OAHLLOKOSA-N 412.471 1.632 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)cc1C 1854947832 DGAMNRJJKFOTDU-OAHLLOKOSA-N 412.471 1.632 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1855042479 ZGWLICJQQRLPSL-HZPDHXFCSA-N 402.520 1.553 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCCCN(C(=O)Cn2nnc3ccccc3c2=O)C1=O 1855832006 IFNVCESSHVMRIA-APWZRJJASA-N 409.490 1.740 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)Cn2cnc3ncccc3c2=O)C1=O 1855854580 TWURQLXTKNDHKM-WMZOPIPTSA-N 409.490 1.740 30 10 HDEE CN1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)[C@@H](C2CCOCC2)C1 1856328001 NEZCMJWYLDATTA-WIYYLYMNSA-N 410.518 1.590 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2nc3nccnc3cc2Br)C1=O 1856553055 OEBQNYMXHLAHDM-LBPRGKRZSA-N 403.240 1.374 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2nc3ccccc3o2)C1=O 1856741738 UVYNBBVKCMMZOX-IRXDYDNUSA-N 410.474 1.607 30 10 HDEE N#Cc1cccc(NC(=O)CC[C@]2(c3ccc4c(c3)CC(=O)N4)NC(=O)NC2=O)c1 1858173400 MNYKYADZYRPEIW-OAQYLSRUSA-N 403.398 1.506 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(C(=O)O)cc1 1862598461 VGNJTEXLRPTDOF-GOSISDBHSA-N 424.409 1.805 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707668 PXEDPKSQRWLVEU-STQMWFEESA-N 415.454 1.587 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872597323 OYQRLTHEQODYQJ-INIZCTEOSA-N 401.444 1.725 30 10 HDEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1F 1889403934 LXYPRRPNJILIGK-UHFFFAOYSA-N 417.525 1.635 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nc(Cl)c(C#N)s2)[C@H]2CS(=O)(=O)C[C@H]21 2106586976 KBGWMSGMKDYLBE-VHSXEESVSA-N 418.928 1.891 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 2118166352 DVXGWAUIZJNCRP-SCRDCRAPSA-N 401.510 1.969 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1ccc(C#N)c(Cl)c1 2124713114 HQLPSROOCGYDKY-INIZCTEOSA-N 403.888 1.766 30 10 HDEE Ic1cnn(CCN=C2NCC3(CCOCC3)CS2)c1 2153507091 LGNQDGKIWHCOSD-UHFFFAOYSA-N 406.293 1.977 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)CC1(C#N)CCCCC1 2181088119 QWPDYWPQLHABJL-LSDHHAIUSA-N 401.529 1.750 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181129979 KCLWDIFFHQXTLJ-ZDUSSCGKSA-N 415.537 1.361 30 10 HDEE COC(=O)NS(=O)(=O)N(C)[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186586477 QUIJKYSMJLRZAY-JTQLQIEISA-N 404.319 1.641 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2192573631 SJGPSSMUIFQHQG-JKBMYWNGSA-N 420.557 1.478 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195281819 FJQPWHSFLJTPNF-PGGUUEOZSA-N 404.529 1.916 30 10 HDEE CC1(C)OB(c2csnc2CN2CC(CS(=O)(=O)C(F)F)C2)OC1(C)C 2235513098 HYLRNFCDHXUTMV-UHFFFAOYSA-N 408.301 1.512 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H]3CCO[C@@]3(C#N)C2)C1 2237787508 CXWMQRDUZIFMET-GPHNJDIKSA-N 413.474 1.944 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2243416036 AZSRKOBLDKAGPC-UHFFFAOYSA-N 408.260 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243687569 YINJYBVSLWPSJG-CYBMUJFWSA-N 414.283 1.610 30 10 HDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820751 RQWVQHMDISDJEV-QWHCGFSZSA-N 420.319 1.837 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@H](CCN)C3)sc2Cl)OC1(C)C 2281964226 VHWGCMDQJWOQGA-LLVKDONJSA-N 400.737 1.891 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282020168 VMRFNOMBGBUEOO-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282026944 JXJAHHZTMOFSNL-MNOVXSKESA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@@H](N)C3)cc2Cl)OC1(C)C 2282312750 ASCGMHOTIWAYLM-JTQLQIEISA-N 422.765 1.049 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282332363 ZQRMZGHNENVADM-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282499907 GLVLVFKLIHAJSB-SSINHNECSA-N 405.322 1.170 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NO[C@@H]2CCOC2)c1B1OC(C)(C)C(C)(C)O1 2282504585 RBORBMQDUSZDTB-GFCCVEGCSA-N 403.331 1.663 30 10 HDEE Cc1sc(C(=O)N[C@H](C)CS(N)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2282653618 FIGIBKPOHYHFBU-SECBINFHSA-N 402.347 1.071 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC[S@](C)=O 2282827678 BTZNWEXSZIEHEA-VWLOTQADSA-N 401.359 1.293 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H](O)C(F)(F)F)s2)OC1(C)C 2282860712 FNJCAQUOWVSJQZ-VIFPVBQESA-N 415.264 1.639 30 10 HDEE C[C@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866290 GWXNNZFAXIBUMJ-TZMCWYRMSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCC3COC3)ccc2Cl)OC1(C)C 2282866349 HREXVKYIDFDDKP-UHFFFAOYSA-N 401.721 1.954 30 10 HDEE CC[C@]1(O)CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282881711 BGIJAWAUMWYESF-KRWDZBQOSA-N 401.359 1.724 30 10 HDEE CC[C@H]1C[C@@]1(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406000 SIAZHXSBHXCXOI-QFYYESIMSA-N 401.315 1.579 30 10 HDEE COCCc1nnc(SCCO)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331311188 AYZYFSQXRQCZOT-UHFFFAOYSA-N 409.424 1.113 30 10 HDEE CC(C)(C)[C@H](N)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2362083191 ZLFIHUHSWVMOIT-GFCCVEGCSA-N 403.379 1.235 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)C1 2365172309 XECQIUWFLSCWDW-MRXNPFEDSA-N 409.451 1.389 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365172735 FFSWSYCBFYGXIA-IBGZPJMESA-N 401.525 1.780 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2365212951 RYZHYWPYCYLGBZ-XHSDSOJGSA-N 404.573 1.845 30 10 HDEE CN(C)S(=O)(=O)CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2367632105 YUFDJIMSVGVXKG-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE COC1([C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367791915 ZZQRHCFXFIYTHD-GJZGRUSLSA-N 400.541 1.747 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2367795486 DZZNYYQOZYNRTN-HZPDHXFCSA-N 400.541 1.429 30 10 HDEE COCC1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC(NC(=O)OC(C)(C)C)C1 2367802221 ZKIXARDCAWSRNL-CSLYMUCUSA-N 400.541 1.604 30 10 HDEE CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ccc1=O 40134724 VPMVENCHXGSJMS-OQKWZONESA-N 417.491 1.718 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)c1 169903784 YUBBCPMCDROWQC-RQZCQDPDSA-N 411.392 1.639 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1C#N 170493343 SGJRHDLOTBDNKL-UHFFFAOYSA-N 412.314 1.389 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 429304070 XNXQRKLZWLKFAW-ZQIUZPCESA-N 402.451 1.097 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccn(C2CCCC2)n1 432317115 FKHOESHXCGEUJG-AWEZNQCLSA-N 401.492 1.853 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435439676 WGCOOCFJFVVUFI-CZUORRHYSA-N 412.471 1.467 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460374019 JFDBNKPAPNFJBD-AWEZNQCLSA-N 402.524 1.903 30 10 HDEE CCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 461752108 UCDARXLZFXZUKA-UHFFFAOYSA-N 410.459 1.998 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463885128 BZPBDBWBLBRSOM-LFGUQSLTSA-N 409.442 1.090 30 10 HDEE COC(=O)COc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 475575080 PYLOEMZXHGIQLQ-UHFFFAOYSA-N 411.418 1.735 30 10 HDEE N#Cc1ccc(OCCNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1 482368556 QAGKUUVEFMKCAX-UHFFFAOYSA-N 407.474 1.577 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 483526254 CRWNCNSLKJVZRS-CXAGYDPISA-N 420.491 1.274 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@](C)(O)C1CCCCC1 484410596 DPUVHHKHYYDDKD-OAQYLSRUSA-N 403.479 1.969 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2cccc(S(C)(=O)=O)c2)CC1 485499854 ZCDIMVALICNINF-QZTJIDSGSA-N 406.504 1.356 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CSCN2S(=O)(=O)c2cnc(C)c(C#N)c2)cc1 489243985 YRERDKAKAXQEOS-KRWDZBQOSA-N 418.500 1.973 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 506682356 NGEWDWJPNRPGJA-HXUWFJFHSA-N 423.535 1.993 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508803084 VNYHHXYHBWSNTG-LJQANCHMSA-N 414.558 1.096 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nc(C)cs2)C1 509002425 QIFYDELCBPXDED-STQMWFEESA-N 412.541 1.417 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 509002491 RDRJMPMNRIUBQV-UHFFFAOYSA-N 407.478 1.672 30 10 HDEE Cn1ccnc(N2CCN(C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CC2)c1=O 513087603 FPWYNIKCUAXSFZ-UHFFFAOYSA-N 422.424 1.331 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccncc2)c1=O 514492470 CGJKCEKHRCYYGC-UHFFFAOYSA-N 418.522 1.878 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)c3ccccc3Cl)CC2)C1=O 519109487 VXPBEEKCLVTWRK-AWEZNQCLSA-N 418.881 1.522 30 10 HDEE Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1S(=O)(=O)NCC#N 519459353 HBYIQFFEYXREGA-DLBZAZTESA-N 423.560 1.924 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)CC3)CC2)cc1 521507168 ZEORAWLCRMRLPX-UHFFFAOYSA-N 402.520 1.266 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](OC2CCOCC2)c2ccccc2)CC1 536168163 KCOSAKNBYKTALW-OAQYLSRUSA-N 401.507 1.370 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1C 543659175 XTWGCDSQEWXLHG-UHFFFAOYSA-N 400.460 1.083 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C[C@@H](C)C#N)C3CC3)CC2)c1 548914393 MZPXNAPUJXXHSG-KRWDZBQOSA-N 404.536 1.598 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCCO1 549250032 PAFDBBPDXYVWOJ-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 571533008 XHUDXHUGZBOQOY-AWEZNQCLSA-N 410.438 1.771 30 10 HDEE CN1CCCC[C@@H]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 582804325 WSIHSZIGODLULP-GOSISDBHSA-N 404.536 1.656 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1C#N 589895579 XQHJSYIIJSDBQP-IBGZPJMESA-N 420.922 1.955 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1-c1ccc(F)cc1 603785930 BGVPBFHSOAKAAT-UHFFFAOYSA-N 423.444 1.959 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2nc3c(s2)CCCC3)CC1 604190887 LBEOGHWEMVFOKE-UHFFFAOYSA-N 405.568 1.584 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)c1 609150431 GOLONRKAOCSIQT-UHFFFAOYSA-N 406.508 1.537 30 10 HDEE COCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@@H]1CCCO1 619851367 OKAUKQVFYSLHIY-HNNXBMFYSA-N 413.482 1.667 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 683739503 GYKAADFJRRKIIT-TZIWHRDSSA-N 400.523 1.817 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 726577822 PXAQVMAEXIRVPB-AWEZNQCLSA-N 417.494 1.622 30 10 HDEE C#CCN(C(=O)Cn1c(S)nnc1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 729332627 RUZRFCGRCGGJOP-HNNXBMFYSA-N 404.517 1.191 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 729333879 BABSCNTVKGPTKB-MOPGFXCFSA-N 402.516 1.117 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(N2CCNC2=O)ccc1F 739191001 LLFPIEZLVQIGLE-UHFFFAOYSA-N 402.407 1.654 30 10 HDEE Cn1nc(C(C)(C)C)cc1NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O 745099038 GGJWNMMGZMTMDS-ISLYRVAYSA-N 403.439 1.116 30 10 HDEE COC(=O)c1cc(C(C)(C)C)sc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 746036806 GBANZTJWYMOPFL-ZDUSSCGKSA-N 418.519 1.969 30 10 HDEE N#C[C@@H]1CN(C(=O)CN2CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 747388188 FDFVGKSVBOYHAE-HXUWFJFHSA-N 411.506 1.140 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cncc(Cl)c3)cc2C1=O 756604968 LBCAFCHNGIFQTG-UHFFFAOYSA-N 405.819 1.636 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 761326007 KHXLJDJFUHFQQI-MRXNPFEDSA-N 406.485 1.724 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CCO[C@@]4(CCOC4)C3)nc12 768897748 BLMSIGJQMRBREE-FQEVSTJZSA-N 413.503 1.815 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@]2(CCOC2)C1 769626049 VEVRKUBURZXUAI-JXFKEZNVSA-N 421.519 1.302 30 10 HDEE CC(C)CCNC(=O)C1CCN(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780205179 LUKFZVHMFWWNMP-FQEVSTJZSA-N 415.490 1.536 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 780205964 ORFWLWSUXAGXKB-INIZCTEOSA-N 424.381 1.770 30 10 HDEE C#CCN(C(=O)c1cccc(CNC(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 786814880 ZMIWVNIXSCPTRC-KRWDZBQOSA-N 406.504 1.974 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790504330 SVQGCSSOVIAZKE-BEFAXECRSA-N 415.556 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)=NO1 798865128 TXFJGVSQLZCWJD-OAHLLOKOSA-N 414.466 1.271 30 10 HDEE C=CCOc1ccc(C(=O)O[C@@H]2COC[C@H]2n2cc(C(=O)OC)nn2)cc1OC 811181539 KTPITGNRFJLJBG-RHSMWYFYSA-N 403.391 1.435 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2COCCOC2)cc1 813818070 NRYSBWUHCNXFKX-RELWKKBWSA-N 424.523 1.817 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCN2C)ccc1F 820459399 QVVMPKNINXEVMR-IRXDYDNUSA-N 411.499 1.225 30 10 HDEE CC(C)N(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C2)ccn1 856550638 FNBCUHNALLDLAT-LPHOPBHVSA-N 409.556 1.711 30 10 HDEE COc1ccc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cc1O 1084644882 MIVGNUDDZPBCKX-UHFFFAOYSA-N 420.480 1.856 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1OC 1135086487 WWOYNWTYZPHOLX-GFXFGIRVSA-N 403.431 1.694 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc(I)cn3)CC2)c1 1136041325 XLJPKRSKIOCHPM-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2ccc(Br)cc2-n2cnnn2)nc1 1136174458 OTPXTHLRMYOYAX-UHFFFAOYSA-N 413.239 1.533 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(Cn2cc(Cl)cn2)s1 1136672813 ZUZBOXCTEKUHNF-ICFOKQHNSA-N 405.867 1.903 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)cnc21 1137497572 NKICZASZPGIESQ-UHFFFAOYSA-N 406.446 1.555 30 10 HDEE Cc1nc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)nn1-c1nc[nH]n1 1139787948 GQOKEIDSEQEKJE-HNNXBMFYSA-N 411.857 1.370 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1141971915 VHAAHTDPYWXRJN-GJZGRUSLSA-N 413.293 1.278 30 10 HDEE CCCCOC(=O)C(C)(C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1143750595 WTZYXAVMNFSSLW-UHFFFAOYSA-N 409.508 1.743 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c1 1154895251 LBHYKLSJMASWAS-SFHVURJKSA-N 401.492 1.360 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 1164661522 XHPDFXPQWJYOLO-UKRRQHHQSA-N 402.513 1.116 30 10 HDEE CN1CCN(CCCS(=O)(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)CC1 1190076681 CASHIZMXYSIQCL-UHFFFAOYSA-N 424.542 1.508 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)C1CCOCC1 1192798326 KEBLATMDCLCPMB-ZDUSSCGKSA-N 419.272 1.394 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)OCC 1193573867 OQOCDTJECFEZET-CYBMUJFWSA-N 408.929 1.779 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCNC(=O)OCc2ccccc2)c1 1196150198 VXRVIPGSMOZLGG-UHFFFAOYSA-N 417.487 1.807 30 10 HDEE C=C[C@@H](C)ONC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1197219769 HTKOZFADOBCCBV-KGLIPLIRSA-N 411.480 1.888 30 10 HDEE C#CCN(C(=O)Nc1cccc(OCCOCCOC)c1)[C@H]1CCS(=O)(=O)C1 1209794151 OWVMHTJADYMKFF-KRWDZBQOSA-N 410.492 1.383 30 10 HDEE CC(C)(CO)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1224523455 VHPFOCSHFDMCCQ-SQGPQFPESA-N 405.520 1.368 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1ccc(Br)cc1[N+](=O)[O-] 1224764092 SJUBWFMNFYJWBZ-UHFFFAOYSA-N 406.258 1.757 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C(C)C)CC1 1286349799 OSLROULYKYHZPX-INIZCTEOSA-N 421.567 1.335 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286383526 XKEOQUNSZLUJSV-IKGGRYGDSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286389979 UPDYZOJYYPYUGW-MRXNPFEDSA-N 414.535 1.798 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1286390185 YILOZJJGRDTHEY-QGZVFWFLSA-N 418.567 1.630 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOc2ccc(Cl)cn2)CC1 1286488898 XNKZZLYBLGKJTH-UHFFFAOYSA-N 402.886 1.680 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286489966 IROUESQIOOGHQE-IEBWSBKVSA-N 422.533 1.857 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1286762559 JGJPGSCKOUSIOQ-OALUTQOASA-N 411.506 1.880 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1286775012 UYCZLHWMLPFMMR-SFHVURJKSA-N 402.543 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccn1 1286818627 LISSRHIXVHDWDL-UHFFFAOYSA-N 401.496 1.311 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1286959371 GAPOOOQAAWXENZ-AWEZNQCLSA-N 409.494 1.346 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(C[C@H]3CCCO3)c2)s1 1291624612 SLDGDQXTSRFONG-CQSZACIVSA-N 410.521 1.769 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1291795403 GAMFAFLEHXCWSL-CRAIPNDOSA-N 423.521 1.823 30 10 HDEE CC(C)(O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1292514271 CLMQUPUSCYZMNX-JQHMZKTJSA-N 420.554 1.688 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1300320912 JJQUJCFYFMXYBC-KRWDZBQOSA-N 417.535 1.393 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1300459812 WYOOGGVPCRHMDD-OAQYLSRUSA-N 408.550 1.669 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(O)CCCCCC1)[C@H]1CCS(=O)(=O)C1 1300504375 MRRUDVBXIDOGLT-KRWDZBQOSA-N 424.567 1.527 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(=O)Nc1ccc(F)cc1 1300665030 GNDDXJOLHFOLOZ-OAHLLOKOSA-N 401.442 1.646 30 10 HDEE C#CCN1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H](C)OC)CC1 1300699732 GRYKDIWZXFGBRZ-GOSISDBHSA-N 424.553 1.242 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2([S@](C)=O)CCC2)CC1 1300700485 RBJOQNNJODRASZ-UULLZXFKSA-N 405.568 1.229 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCS(=O)(=O)NC(C)C 1300802007 YYAXSTOPMSLWBM-GOSISDBHSA-N 403.512 1.055 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1301303248 YSRHMFNHZQFZQT-UHFFFAOYSA-N 412.519 1.776 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301412747 JBHXDAZDSAOQCN-UTKZUKDTSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2nccnc2C)CC1 1301490300 QEBYNEVDRKMNKX-UHFFFAOYSA-N 422.493 1.574 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cccc(F)c2[C@@H]1C 1301498171 JYISAHUJGINDCM-XJKSGUPXSA-N 412.469 1.794 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)C)C1 1301557546 PSGBAWDGPDWRDR-ZACQAIPSSA-N 412.556 1.633 30 10 HDEE COCCOCCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1302237768 KYHGVACWHOABRA-FQEVSTJZSA-N 407.515 1.722 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCCCCO)CCN1C1CC1 1303003567 ILDKQLKYRCRZGW-FQEVSTJZSA-N 409.538 1.993 30 10 HDEE CC(C)c1cc([C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1303322413 XOEFKSCCFPGJAA-AWEZNQCLSA-N 415.519 1.978 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1303652050 GQPPNJBCNOCJEU-BTYIYWSLSA-N 414.510 1.836 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1[N+](=O)[O-] 1304199619 AGEOGSFSDXZEHC-UHFFFAOYSA-N 403.391 1.198 30 10 HDEE C#CC1CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)CC1 1310708939 FXSXLWTXZRQONU-HNNXBMFYSA-N 401.463 1.872 30 10 HDEE C=CCn1cc(CNC(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)nn1 1311555215 GTGZYEADUITWJW-UHFFFAOYSA-N 413.526 1.484 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 1311725582 BDHDSTGTLYYTPZ-UHFFFAOYSA-N 401.507 1.457 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CN(C(=O)OCc2ccccc2)C1 1312851578 WIRSHXDNYPQMEI-UHFFFAOYSA-N 401.463 1.994 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1313218910 KSNOOUCCDSVIOO-QGZVFWFLSA-N 420.535 1.892 30 10 HDEE N#Cc1ccc(Cn2c(-c3ccccc3)nnc2N2CCC(OCC(N)=O)CC2)o1 1316531069 MREVFHQBKYMIRQ-UHFFFAOYSA-N 406.446 1.929 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2csc(C(=O)OC)n2)c1 1357767590 ZHZXHCKQBKCATK-UHFFFAOYSA-N 413.455 1.417 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1358870796 UMAVWWAXHXYKPS-AWEZNQCLSA-N 416.913 1.846 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1358930302 SCPHUROJLRZXRN-KRWDZBQOSA-N 402.476 1.439 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1358999410 QGAILAMHCBWLFB-QGZVFWFLSA-N 411.510 1.374 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)CCOC)CC1 1359036698 FQPIAEZQDJIROS-QFIPXVFZSA-N 415.513 1.551 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)CC1 1359179599 ZBOVYVIMBONCEM-ZRZPHAQCSA-N 424.567 1.513 30 10 HDEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359204173 HCSSXGLGGSGPNU-IBGZPJMESA-N 422.533 1.681 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359207604 PVFGORZAEOTCMT-QZTJIDSGSA-N 404.559 1.930 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@@H]1COCCO1 1359233349 AUJALCNJIRFXNP-MRXNPFEDSA-N 406.508 1.776 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1359288806 YOBWAMHQAADSEF-UHFFFAOYSA-N 422.493 1.507 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1359320745 UYXJVBQPZTXTNY-UYAOXDASSA-N 419.570 1.800 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1359465368 ALJHRWVFZGTDJG-QZTJIDSGSA-N 417.558 1.611 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCc4cc(C#N)ccc43)CC2)cn1C 1436665959 FCIJSFBUWOPASP-UHFFFAOYSA-N 413.503 1.590 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 1437810906 BPSZHTRCPQOQBK-FQEVSTJZSA-N 402.458 1.980 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCC[C@H]1COC(=O)N1CCCC1 1449225339 RJUIRMGNARSZLR-IJYGLTAASA-N 404.467 1.516 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1450472782 YZYVXSOBPQMKIC-USXIJHARSA-N 418.494 1.797 30 10 HDEE CCn1nc(C)c(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1452025249 CHHOVEBJEFUWHH-UHFFFAOYSA-N 403.284 1.993 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)c1 1456554556 UZILECYQXUETPQ-HNNXBMFYSA-N 422.503 1.076 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)CCS2 1457001381 LKSPPPKMPXEBLQ-CQLDPSLYSA-N 407.492 1.237 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F 1462893103 BLVYEPVOSQESGL-MYODQAERSA-N 410.514 1.202 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1464180948 RYWIMWYXEYGIEG-CQSZACIVSA-N 403.460 1.659 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(OC)c(OC)c2Cl)CC1 1464849390 QWRCLYYDJRATPT-UHFFFAOYSA-N 407.898 1.183 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCC(=O)OCc2ccccc2)c1 1465801684 CLLZXDZSPYSYNJ-UHFFFAOYSA-N 404.419 1.986 30 10 HDEE C=CCOC[C@H](NC(=O)COc1ccc(Br)cc1C(C)=O)C(=O)OC 1467516642 UJTYNEPTFOVPMP-AWEZNQCLSA-N 414.252 1.891 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 1468013460 OHWYPTZVSUPVFI-ZDUSSCGKSA-N 418.441 1.561 30 10 HDEE CCN1C[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1468283505 MAOZZUIHQUBPDW-AWEZNQCLSA-N 406.508 1.023 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@](C)(C#N)C1 1470394113 LLMXUVUJTAYPNY-UYAOXDASSA-N 421.519 1.913 30 10 HDEE N#Cc1cc2c(n(CC(=O)NCc3ccccc3CN3CCCC3=O)c1=O)CCC2 1473092824 BEKSKUTVZBMTLQ-UHFFFAOYSA-N 404.470 1.647 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)c1 1473111312 RMDKSCXXNBKBDL-LEWJYISDSA-N 407.470 1.920 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1475545503 YRLJFUASTBWGEP-RTBURBONSA-N 424.519 1.372 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC 1478917025 KKILBXMHYVHKKG-CYBMUJFWSA-N 400.401 1.212 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCCCNC(=O)N2CCO[C@@H](C#N)C2)CC1 1479246946 NELNKZGYOBCXDZ-KRWDZBQOSA-N 409.531 1.643 30 10 HDEE CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1500330165 VWCLJLRGFVSKOW-JKSUJKDBSA-N 423.525 1.796 30 10 HDEE CCN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(C)C 1502185460 GFBXNOYLUHXQEN-MRXNPFEDSA-N 412.498 1.384 30 10 HDEE COc1ccccc1Cc1nnc(N(C)OC)n1CCN/C(O)=C1/N=CC=CC1=O 1504399986 ALDWFIFRUUIPML-HNENSFHCSA-N 412.450 1.402 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)c1 1505314173 VLZDBYDVHAANIM-JKSUJKDBSA-N 416.432 1.943 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(CS(C)(=O)=O)CC1 1507525260 FSLMLRQADWNPGH-CQSZACIVSA-N 416.503 1.957 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507567762 SAXHYNYGSZILHZ-MRXNPFEDSA-N 402.524 1.389 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN(C(=O)NC)CC1 1507594474 FEUJIEPZVJJQDP-UHFFFAOYSA-N 412.494 1.741 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507595756 WRDFYHUBMKPMEL-NVXWUHKLSA-N 416.453 1.770 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1507608085 IULFWTOXIMZGIA-UHFFFAOYSA-N 400.508 1.654 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OCC)CC1 1507723893 YLTXMPKSSHCJLH-IBGZPJMESA-N 422.533 1.740 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC 1507818625 WXJGDGWTCIATKA-UHFFFAOYSA-N 419.555 1.777 30 10 HDEE C=C(C)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1507834989 FBFFMLNCNIOAHF-OAQYLSRUSA-N 403.527 1.955 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1507983283 ZXFLOPWUVJKKFG-HZPDHXFCSA-N 423.514 1.624 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1508108960 JXBFROAGSPJIMK-BRWVUGGUSA-N 411.572 1.854 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1512576458 ACEWTVYQMTZSFT-LRTDBIEQSA-N 412.494 1.650 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)cc2)n1C[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1515476441 JKDGGBJQSFGBTM-IEBWSBKVSA-N 414.531 1.917 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1516732106 HHLMZCSHWUUYPE-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1516749664 ZRZSFZYISJDOTM-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1517840543 FPHICOIMNASRHH-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 1520860589 BJVKIXYBFDVEMW-OAHLLOKOSA-N 406.504 1.706 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)[C@H](C#N)CC 1530451754 JKTLSRPIEJWJEF-HNNXBMFYSA-N 408.524 1.396 30 10 HDEE C#CCC1(C(=O)NC[C@](C)(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C2CC2)CCOCC1 1531745152 GJVTZFLDVOWKOJ-WXUJMHNKSA-N 400.519 1.631 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCNS(C)(=O)=O 1539035757 UIUIRTOUBQZKHG-CQSZACIVSA-N 423.564 1.586 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1539142411 PYCSHLPDODOXMM-KSZLIROESA-N 424.567 1.819 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539222545 WHTIJJSGXQHWQE-CRAIPNDOSA-N 405.568 1.655 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539225488 OHSPYNAFPVPKNL-DYESRHJHSA-N 420.579 1.799 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cc(C)nn1C 1539400829 MCTNTSOQCVWAAP-OAQYLSRUSA-N 416.526 1.495 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539526916 WMKBXFLEDGEONT-MRXNPFEDSA-N 422.580 1.129 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539621819 TUVMFSZNAAVWAP-KSZLIROESA-N 412.556 1.598 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1539729086 FUBITZULQIZBAZ-GJZGRUSLSA-N 401.533 1.096 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ncccc3C#N)CC2)CC(O)C1 1540523214 YYBBKPNLKUFDAX-UHFFFAOYSA-N 415.494 1.268 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)C(=O)NC)C1 1540895922 BUQAQYXHVNDKOE-BBWFWOEESA-N 421.542 1.556 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCn2cncn2)CCOC1 1541725672 MOWSYCKIAYANCP-ROUUACIJSA-N 404.450 1.052 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(=O)OCC)CCCC2)s1 1542288560 PCQVXJXFVUYZAM-UHFFFAOYSA-N 400.522 1.747 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1542805378 PFIVCEGEIOAYKS-SJORKVTESA-N 407.511 1.533 30 10 HDEE COCCN(CCN(C)C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1543190668 PXSSTYNLDIBJQF-BATSVXPKSA-N 408.543 1.810 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Br)c(SC)c2)CC1 1556503954 DTYHWHRBNTZVRF-UHFFFAOYSA-N 410.337 1.678 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](CCF)C3)CC2)cc1 1557931828 KTGNEQZBCGUWTH-KRWDZBQOSA-N 409.483 1.546 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)cc2Br)C1 1561913019 IPHYPJBCUVNUKR-ZDUSSCGKSA-N 415.309 1.612 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 1566264059 PKFASUGHRGCMCQ-TZZQJPOUSA-N 407.470 1.453 30 10 HDEE C[C@H](CCS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1566389527 XRXFCGAOHPMMMW-PPXVZNSRSA-N 413.540 1.713 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[C@H]1CCCO1 1567814334 GRYCZXRXUSIXLP-NWDGAFQWSA-N 421.700 1.661 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(NC(C)=O)ccc1NS(C)(=O)=O)C(=O)OCC 1569183994 HXUOXJVPQPSQCU-INIZCTEOSA-N 411.480 1.644 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)NCCc2ccc(C#N)cc2)cc1OC 1584397244 DGXQFNKIIHMFDU-UHFFFAOYSA-N 403.460 1.213 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1585942903 NGURVCNGXBSKJA-CABCVRRESA-N 416.544 1.504 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(Nc4cccc(C#N)c4)C3)C2=O)cc1 1586074154 IHFXRKBXIJNCNK-HSZRJFAPSA-N 417.469 1.957 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(C)C)C1=O 1587791015 PKRBFBYISBSMNQ-GOSISDBHSA-N 412.490 1.332 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2)C1 1587861295 JLCNVSQSBYAGIR-ZWKOTPCHSA-N 405.568 1.658 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588049812 LNNPPJOBPNSOIN-AEFFLSMTSA-N 415.519 1.393 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1588054167 LCBJDRMPNVDYCA-HNNXBMFYSA-N 420.564 1.771 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCCN1C1CC1)[C@@H]1CCS(=O)(=O)C1 1588059779 UWVSYQFRBOBJBP-QZTJIDSGSA-N 405.568 1.484 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 1588199762 YUBDKBGTUBJOSF-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1594937290 WCKPVQYRTQNKJM-MRXNPFEDSA-N 408.510 1.969 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1595418731 XQFAKUNPGPRMJH-WIYYLYMNSA-N 423.565 1.829 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1595601912 AEIXTCAUSDNERR-OAQYLSRUSA-N 420.558 1.151 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)C1 1595664626 IATDGHDIDANJGU-GJZGRUSLSA-N 404.515 1.112 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2COCCO2)C1 1595739314 YVEQXZWIQDBMTM-IRXDYDNUSA-N 405.524 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[C@@H](C)C1 1595821606 BYIPTZTXWVCAJR-HOTGVXAUSA-N 409.556 1.484 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)Cc2ccccc2F)s1 1596272373 FYYKOAYLNUPODL-CQSZACIVSA-N 412.508 1.614 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)COc1ccc(C#N)c(Br)c1 1597599571 WRXFMPGWKAFUHH-DOMZBBRYSA-N 411.252 1.926 30 10 HDEE CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1613663078 WTUZPLPXLYXDPJ-KANFNMMFSA-N 418.542 1.604 30 10 HDEE CCN(CC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1615531997 HOCGNPIFGLJWRK-UHHPSXQGSA-N 400.483 1.545 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)C1 1616566380 GTLHFWLVXDZWEO-LYGNXSNRSA-N 424.505 1.448 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1619817398 JEIQVOWBMKUAEM-UHFFFAOYSA-N 419.489 1.900 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)cc1 1622241882 XKEALVGNVAZVKL-UHFFFAOYSA-N 411.527 1.844 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(I)c2)nn1 1622441700 XTKNRKMNOHWALO-UHFFFAOYSA-N 418.260 1.937 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(NC(N)=O)cc2)s1 1623746202 QOGXIQBDUBCHJR-UHFFFAOYSA-N 408.505 1.562 30 10 HDEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1n1cccn1 1624304385 VITZCFSTXBIMOB-DWLDRWNFSA-N 401.467 1.413 30 10 HDEE N#C[C@H](CCc1ccccc1)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1628304793 AHWWONILHPHGOR-SFHVURJKSA-N 419.547 1.848 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)C#CC2CC2)c1 1628929278 RRGRMTQMJPIATK-UHFFFAOYSA-N 418.563 1.821 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1 1631824188 ADOLPSCAUMHZJQ-CABCVRRESA-N 403.545 1.776 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1OC 1632263181 GIJBBIKJJKZIOF-IYBDPMFKSA-N 417.462 1.298 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCO[C@H](C#N)C3)ccn2)CC1 1632583966 ZHUIDMNRTBTLGQ-MRXNPFEDSA-N 401.467 1.503 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 1632687233 DSRHBBCIZSZJQW-ZDUSSCGKSA-N 415.475 1.632 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCOc2c(OC)cccc21)c1cc[nH]n1 1636965740 NRJGZZRNVFXJRC-AWEZNQCLSA-N 416.434 1.732 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1637433713 XQQPUBMWWHJVBC-NHCUHLMSSA-N 409.490 1.529 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCNC(=O)CC1 1639495925 MYQOIXQAGXGZCU-ZFWWWQNUSA-N 406.508 1.069 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3cc(Cl)ccc3OC)c2)C1 1640069698 CTUGRNYQBCGFCK-UHFFFAOYSA-N 420.874 1.970 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cccc(OC3CC3)c2F)cc1 1641020274 FLXGKLXLNJVAJK-UHFFFAOYSA-N 403.435 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCCCC[C@@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641033413 ATWMKYVWUPPQFL-CQSZACIVSA-N 405.455 1.116 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccnc3)CCO2)cc1 1652919293 ILOAIGRTVAOIFA-SFHVURJKSA-N 400.460 1.222 30 10 HDEE C#C[C@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc(Br)cc1 1655458695 FBQGKDIWFPQVFU-AWEZNQCLSA-N 406.323 1.620 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCC[C@@H]1C#N 1659735946 BHFNMIGPSSUDAJ-WBVHZDCISA-N 408.499 1.283 30 10 HDEE Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1 1661241798 BGGJEVDOLMUHGI-UHFFFAOYSA-N 417.388 1.961 30 10 HDEE CC(C)OC[C@@H](CO)N(C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1662787803 AZJLDUSMBYWNCB-LLVKDONJSA-N 409.277 1.866 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1664763848 BOGXYXYFVALKRX-LLVKDONJSA-N 401.282 1.650 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1665797479 YTUMJSZMPNGTAQ-ODCWNRFASA-N 403.526 1.722 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCOC[C@@H]2CC2CCOCC2)C1 1671495080 KVSGPVRWAJCZMJ-BZSNNMDCSA-N 422.526 1.973 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC[C@H]21 1671495271 PGQWSGOZROFBRP-IBEHDNSVSA-N 406.483 1.586 30 10 HDEE COC[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Cl)cc1 1681222563 XBUGCYPICLGHKT-RLFYNMQTSA-N 411.911 1.650 30 10 HDEE C=C(CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccccc1 1681778493 DHNOHPMNKUFUHV-GNZRSQJKSA-N 406.504 1.898 30 10 HDEE C#CC1(F)CN(C(=O)NCCCCCC(=O)N2CCN(C(=O)CC(C)C)CC2)C1 1683832834 DQLJVZPPABHCOE-UHFFFAOYSA-N 408.518 1.630 30 10 HDEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1684058416 WKMKHAYAUJBYLR-IRXDYDNUSA-N 404.577 1.638 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCS(=O)(=O)C2CC2)CC1 1686792996 BKIDNALJRKNKSQ-UHFFFAOYSA-N 419.463 1.215 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1689828601 QBXAYRTUTMZIGH-HZPDHXFCSA-N 415.469 1.874 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1689989483 FWEPXIMOXYVHGI-AWEZNQCLSA-N 422.580 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](CC)OC 1690017628 HYTHAFVPOJIKFW-IBGZPJMESA-N 407.522 1.950 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO 1690081694 VCGZGZUIYPARCF-GOSISDBHSA-N 402.568 1.940 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(OC)CCOC2)CC1 1690125848 PLOKTOPYCJHMNQ-QHCPKHFHSA-N 409.534 1.738 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1690341835 VADUSAWZIYTPGF-HUUCEWRRSA-N 419.917 1.855 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(=O)NC)CC1 1690662987 IMRNGLMFUPOBHL-UHFFFAOYSA-N 422.489 1.956 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCSC2(CCOCC2)C1 1690670479 CCXQWZSVHDYHQU-MRXNPFEDSA-N 421.567 1.924 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)nc2)C1 1690697134 PGEYKEMCKKUJAV-IAGOWNOFSA-N 411.510 1.520 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(C)c2)C1 1690714771 UQSIJIXZEBKERC-KSZLIROESA-N 402.499 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1690725433 PPJPCAVRMHZLNE-CQSZACIVSA-N 424.527 1.526 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1692657129 DKPATPRRHVVJHP-GDBMZVCRSA-N 422.468 1.957 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1694680175 ALCWYMSWVOPLTK-FQEVSTJZSA-N 400.458 1.798 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1696021541 BLKHXLFJFVSZTP-JXFKEZNVSA-N 407.515 1.458 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1705489524 QPEPDUUYCQHAEI-AWEZNQCLSA-N 417.539 1.221 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1705493975 REUPOXXSEOFXQK-QZTJIDSGSA-N 414.554 1.722 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705559429 AOGDUIQDXWUPCI-CABCVRRESA-N 409.556 1.191 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705564863 RHDPGKAFDZTHPC-KRWDZBQOSA-N 416.551 1.307 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1705658458 QCEMEAIWYBNQFI-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE COC[C@@H](F)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712172837 CKADNMOQWHNOJN-HOCLYGCPSA-N 414.489 1.907 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1712416254 GLYYHTOKIOWMMX-SFHVURJKSA-N 401.467 1.617 30 10 HDEE C=CCC1(C(=O)N2CCO[C@@]3(CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C3)C2)CCC1 1718299624 WABDEUDOHDCENW-KLBCSMCRSA-N 400.519 1.986 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(C)c1 1722342787 YHRVGIVIOHWFRG-JKSUJKDBSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1722373237 GBYAXEAYRPKJMT-QGZVFWFLSA-N 421.501 1.409 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)F 1722385658 JMDFQGOEVCTAEA-UHFFFAOYSA-N 405.380 1.450 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(F)c1 1722396387 IAKGJJYUDYAMBV-KRWDZBQOSA-N 400.479 1.831 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1 1722402789 FJGQELUXHWBZLO-ICSRJNTNSA-N 409.490 1.917 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722532798 WTSCQHPEZSJKCO-KRWDZBQOSA-N 418.542 1.517 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCCC2)C1 1722691015 NWQGHLVASBOKIY-HNNXBMFYSA-N 424.571 1.351 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1COc2ccccc2O1 1723579268 YRNDJJAGRQNWGS-INIZCTEOSA-N 410.478 1.996 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1728542302 HMXDXHUUIPRRRQ-QGZVFWFLSA-N 408.466 1.554 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)CCC)CC1 1740706754 BKXBFCHRKVTTSV-HSZRJFAPSA-N 424.549 1.781 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1740749653 BJFMMOMNUBBULK-CYBMUJFWSA-N 414.304 1.333 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cccnn2)CC1 1740817707 QHJVFYTULDICRA-RDJZCZTQSA-N 419.917 1.871 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2C[C@@H]2C)CC1 1740840236 VCBGGAXQOVRRSS-XIRDDKMYSA-N 409.556 1.669 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@@H](C)C1)C1CC1 1740911813 ZRBOTUQDRKTPCB-BQFCYCMXSA-N 402.543 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@H](C)C1 1740955486 VVTHDDPIYAKDRJ-GASCZTMLSA-N 413.478 1.632 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1740957418 NGCPENFAPXKTSS-KRWDZBQOSA-N 413.526 1.124 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)C[C@@H]1C 1740963776 WYSKXFSVAPEIIM-INIZCTEOSA-N 421.505 1.250 30 10 HDEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1747788763 CUEWKCKHPAJCTL-UHFFFAOYSA-N 423.502 1.768 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1748105400 HFYLNIVRCJASKC-OAHLLOKOSA-N 423.521 1.694 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1748779254 COWMMOVCXBYHLW-AWEZNQCLSA-N 402.886 1.558 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](COC)OC 1748914648 MWNBIWOYYLFTDN-INIZCTEOSA-N 406.508 1.470 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748963159 ZJBJPYHTSHAJER-WNRNVDISSA-N 406.552 1.702 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCCCN2CCCC2)CC1 1748986710 HWUAHIWIRAQAFD-UHFFFAOYSA-N 410.570 1.700 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1748993215 QWLFWNVJGMOSSI-JOCHJYFZSA-N 422.577 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC[C@H]2COCCO2)CC1 1749004135 FMRGPSXCHSDYBK-WMZOPIPTSA-N 403.527 1.563 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1749505845 AQQJUWQUNOMIIG-SFHVURJKSA-N 404.559 1.928 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(Cn2nc(C)cc2C)n1Cc1nnn(C)n1 1749537297 FAZPDNLENOUZBB-UHFFFAOYSA-N 418.509 1.904 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749650088 JBOROMYLFSJQLC-KRWDZBQOSA-N 416.526 1.069 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCOCC2)C1 1749760855 OWIKDICONTUYSA-UHFFFAOYSA-N 421.567 1.706 30 10 HDEE C=CCSCCn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749763583 CPEWTDCVNUEWPU-DNVCBOLYSA-N 409.556 1.550 30 10 HDEE COCCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1749883789 BAPNAWXUAKCGRS-HNNXBMFYSA-N 408.466 1.405 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1751095887 HSGLRNIMIFDCHO-WBVHZDCISA-N 402.524 1.827 30 10 HDEE Cc1ccc(C(=O)NCCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)cc1 1751442064 PRPDNBJFBGBGCM-UHFFFAOYSA-N 417.473 1.860 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1760233640 NICUUEWRXNMVSV-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC(=O)N1 1760251204 YSNDYVBUQANFMC-CQSZACIVSA-N 403.433 1.512 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC2)CC1 1760271687 GXWHIILSILFIMV-SFHVURJKSA-N 408.506 1.266 30 10 HDEE C#CCSCCn1c(N2CCN(CC3CC3)CC2)nnc1[C@]1(OCC)CCOC1 1760286179 DVEHQDVYNSIELY-NRFANRHFSA-N 419.595 1.829 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCn1cnnn1 1760291050 YNUGVLUWQHNVIQ-WOJBJXKFSA-N 414.514 1.388 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760313329 MDYIGXHIOMNPDS-HOTGVXAUSA-N 416.526 1.903 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(c2ncc(F)cn2)CC1 1760361719 QFARCNWXSUBCOO-UHFFFAOYSA-N 405.478 1.663 30 10 HDEE C=CCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1760439491 IOMOUEVCCZCQSK-UHFFFAOYSA-N 407.544 1.360 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCCN(CCC)C(=O)C1 1760525158 WNEAKMJAYRSRTO-UHFFFAOYSA-N 424.549 1.928 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1760525236 YKWJVUQRNOMRAO-UHFFFAOYSA-N 402.524 1.475 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)C2CC2)CCOC1 1761273374 BAFZFJJJWBLPRY-QRWLVFNGSA-N 404.515 1.583 30 10 HDEE CC[C@H](C)CN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1761948237 FWFBWBFQDVCHSQ-DCOQFNDQSA-N 417.514 1.425 30 10 HDEE CCO[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766173862 DGXKVWXZCSANDI-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1766691634 KBBUGPJSVDFJFI-INIZCTEOSA-N 412.516 1.511 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768194982 SVTVYKYMXWMOOT-HTXNQAPBSA-N 423.477 1.400 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@H](C)C#N 1769267793 UPTJTRUCXDXFOT-HIFRSBDPSA-N 409.487 1.929 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1CCN(C(C)=O)CC1 1770171761 GMLHBROMMDVKDR-MNEFBYGVSA-N 418.542 1.999 30 10 HDEE C=CCN1C[C@H](C(=O)NCc2ccc3c(I)n[nH]c3c2)CC1=O 1850287774 UIQOCIFQUAXFLN-LLVKDONJSA-N 424.242 1.818 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CO2)nc1 1851290850 IXXJUPSCQJYYBB-FUHWJXTLSA-N 418.413 1.793 30 10 HDEE COc1ccc(-c2cnc3c(C#N)cnn3c2NC(=O)[C@@H]2CN3CCN2CC3)cc1 1852623447 CRBYWUQMSPZKDW-SFHVURJKSA-N 403.446 1.215 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)COc3ccccc3[N+](=O)[O-])CC2)CC1 1852841509 KGPNBKYXRHBEOX-UHFFFAOYSA-N 400.435 1.974 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@@H]4CN(C)C[C@H]4C3)ccc21 1853982698 WHZLTFJRKMOWHB-IRXDYDNUSA-N 417.531 1.641 30 10 HDEE C=CCN1CCN(C(=O)CCc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@@H]1C 1854272086 BAXOWUIFWSEZHJ-DLBZAZTESA-N 422.551 1.037 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854850015 RBACVYICDZHNST-PGRDOPGGSA-N 414.481 1.511 30 10 HDEE COc1ccc(OC)c(CN2CCN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1856279332 JVSUBSNHEJGKBJ-INIZCTEOSA-N 400.479 1.110 30 10 HDEE COC1CCN(C2CN(C[C@@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)C2)CC1 1856941624 PWALPWRPASOGPX-IBGZPJMESA-N 410.518 1.271 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1Cc1ccc2ccc(Br)nc2n1 1857091038 FVHSKUIOCDILKA-NSHDSACASA-N 402.252 1.865 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)ccn1 1857244485 QEPCIDOMSPVYCN-CQSZACIVSA-N 410.455 1.381 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)nn2)cc1 1857274962 VYWLJCTWQPZPFW-IBGZPJMESA-N 408.462 1.312 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858416906 ULPMLGLKSQTCCN-OAHLLOKOSA-N 424.482 1.726 30 10 HDEE N#Cc1nnn(-c2ccc(I)cc2)c1NC(=O)[C@H]1CCCO1 1870156905 HUYKNKBDQTVMNL-GFCCVEGCSA-N 409.187 1.861 30 10 HDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1ccc(C(=O)OC(C)C)cc1 1872650692 FADRGWHHUWRZFE-UHFFFAOYSA-N 402.407 1.497 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3ncnc(CC)c3F)CC2)cs1 1889486886 ZQWUKVVHHXGWIS-UHFFFAOYSA-N 404.471 1.513 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(-n4cccn4)cc3)CC2)CC1 1889487540 HSAMAIMDUAVCEN-UHFFFAOYSA-N 421.545 1.744 30 10 HDEE C[C@@H](C#CC(=O)O)NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1901970255 BWRQDLGZOBVXNF-KSFYIVLOSA-N 415.490 1.749 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cc(C#N)ccc2Cl)COC1 1962852576 MTPFZRFRBBRDLA-UHFFFAOYSA-N 401.872 1.784 30 10 HDEE C#CCCCS(=O)(=O)NCc1nn(C)c(Cl)c1I 2054052025 CXOVXDDEBWJZJA-UHFFFAOYSA-N 401.657 1.511 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)O 2151770762 OIZGJLGNRSIWPS-ZDUSSCGKSA-N 417.871 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783162 YUQDFIGGJJNTEE-OAHLLOKOSA-N 401.529 1.873 30 10 HDEE C[C@@H](NS(=O)(=O)N(C)C1CCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186633354 VIRQRCLTAOHBJZ-LLVKDONJSA-N 401.363 1.822 30 10 HDEE Cn1cc(C(=O)NCC=CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247836376 BCXFRCLGEKJSKQ-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2248430447 YTNNTGALWSEOFJ-CQSZACIVSA-N 424.278 1.949 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ncc(Br)cc1C#N 2249519270 OXAWUUIKRWNTQY-UHFFFAOYSA-N 401.261 1.376 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC=C[C@H]3CO)cc2Cl)OC1(C)C 2267358554 GJRAUESLBIUDQH-JTQLQIEISA-N 405.734 1.622 30 10 HDEE C=CC1(C=C)COCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270533652 JRFJLDWRVYMMTO-INIZCTEOSA-N 424.475 1.139 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1 2281948672 ZDJKNEQKRDHCAR-KRWDZBQOSA-N 403.284 1.972 30 10 HDEE Cc1sc(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281959417 ZKRMIVFPRQHSEC-ZYHUDNBSSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H]2C(N)=O)OC1(C)C 2282332323 ZFECLICKOFRELS-GFCCVEGCSA-N 400.331 1.076 30 10 HDEE CC1(C)NCC[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337030 DGGIQJZECQXDLD-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1CO 2282419475 PLBIANKVDFJZPX-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](N)[C@H](C(F)F)C2)OC1(C)C 2282488592 CUSVROHFQRPNQK-KOLCDFICSA-N 408.301 1.260 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CN)c(Cl)c2)OC1(C)C 2282492430 OTGBAYXEGSPTCV-ZDUSSCGKSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCN2CCC2)OC1(C)C 2282492924 UGBWQULZEOHOBZ-UHFFFAOYSA-N 400.737 1.623 30 10 HDEE CC1(C)CCN[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497581 RPQLFGUPTMBWJE-AWEZNQCLSA-N 400.375 1.714 30 10 HDEE COC[C@@H](C)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501980 DYRPHTWNKUIHFK-VXGBXAGGSA-N 404.363 1.533 30 10 HDEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CS(=O)(=O)C1(C)C 2282520670 SYNYAGLQYOXZRR-JTQLQIEISA-N 400.331 1.090 30 10 HDEE Cc1nc(S(=O)(=O)N=[S@@](C)(=O)C(C)C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282843230 KGDUHHCTSSIDEF-VWLOTQADSA-N 405.351 1.223 30 10 HDEE C[C@H]1CCNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282843956 VLDFDFHEOOAAQP-CMPLNLGQSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H]2CCO)OC1(C)C 2282874919 HZERYAJDOUNOBC-AWEZNQCLSA-N 401.359 1.724 30 10 HDEE CC1(CO)CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876844 JUFASGLMGLACNO-UHFFFAOYSA-N 401.359 1.628 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)C1CC1 2284398723 BCRBKUIAXDVIJE-CYBMUJFWSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2284401335 HOCOIDGHODXFSN-WPRPVWTQSA-N 421.733 1.842 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284406078 TZISMSPAQUCXKH-NSHDSACASA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H]3CC(N)=O)c2)OC1(C)C 2285739606 RHBZZGPDYGVMOR-GFCCVEGCSA-N 400.331 1.076 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C2C[C@@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)C1=O 2296287807 HVBBUFILXKLVGJ-AWEZNQCLSA-N 414.418 1.020 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CN(C(=O)OCc2ccccc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c1ccc(C)cc1Br 56125080 ZNXRHWFJXAJQKR-GFCCVEGCSA-N 406.323 1.569 30 10 HDEE C=CCON1C(=O)C[C@H](C(=O)OC)C12CCN(Cc1cccc3c1OCO3)CC2 72158260 WXRPLWRUVRUZMA-MRXNPFEDSA-N 402.447 1.889 30 10 HDEE CN1CCN(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)N(c3ccc(C#N)cc3)C2=O)CC1 169981452 RTIHZWIUKQMIJY-UHFFFAOYSA-N 417.425 1.998 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@@H](c3ccc(C#N)cc3)N(CCC(N)=O)O[C@H]2C1=O 251998639 LTIMDAPSSLFGPI-RZTDZLQYSA-N 418.453 1.837 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CCO1 409490442 GTKSLXISCNVCMO-SWLSCSKDSA-N 405.398 1.548 30 10 HDEE COc1cc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)ccc1C#N 427142926 GQSFIFHSLJCDGV-IFXJQAMLSA-N 417.487 1.219 30 10 HDEE Cc1noc(C)c1C(C)(C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 430090764 PCVKUCOZXNGKHZ-UHFFFAOYSA-N 416.503 1.974 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460764307 XSRRYCISBCXKIF-UHFFFAOYSA-N 417.472 1.733 30 10 HDEE Cc1nc(SCCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n[nH]1 467530582 HORAKKBGCGVDRZ-UHFFFAOYSA-N 410.507 1.984 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccc(Cn4ccnc4)cc3)CC2)c1C#N 472096957 NALVYEAKVFBYDL-UHFFFAOYSA-N 418.505 1.877 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)o1 482557772 RHGPISGQDRIXGQ-UHFFFAOYSA-N 402.476 1.476 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)ccc1F 501971597 OQYKDGFXBJCBBR-UHFFFAOYSA-N 421.475 1.463 30 10 HDEE COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505280942 LYDXCGTZKGQIBB-UHFFFAOYSA-N 400.435 1.070 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2C)CC1 508428771 QYRDATXJIWJAPJ-HNNXBMFYSA-N 402.474 1.518 30 10 HDEE Cc1noc(CN2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 508675091 ICTZRFXJJKSJPI-SFHVURJKSA-N 423.477 1.273 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508907282 LUOCBYAICRJPSI-CQSZACIVSA-N 416.530 1.957 30 10 HDEE CCc1c(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513772651 BKHZIDWETKPNMK-OAHLLOKOSA-N 411.849 1.843 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(OC)c(C)c2)c(=O)n1C1CC1 516829576 QUBLQRCFJNVSKJ-UHFFFAOYSA-N 411.527 1.899 30 10 HDEE Cc1cc(C)n([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 518765788 IRSNLFFQMANJKY-MRXNPFEDSA-N 401.492 1.466 30 10 HDEE N#Cc1cccc(CC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 530670426 HHEFMFXONBCZSP-UHFFFAOYSA-N 403.435 1.899 30 10 HDEE N#Cc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccc(F)cc4)n3)CC2)n1 545502211 DOXSYEIEQGPZDQ-UHFFFAOYSA-N 405.441 1.925 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CC=CCC1 559011111 PTAVDDDDRPKKLR-SJORKVTESA-N 409.556 1.980 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NCc1nc(C#N)cs1 569175389 JSXXBIHQXLFKNL-UHFFFAOYSA-N 407.521 1.572 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)[C@H](C)C(=O)OCCOC)cc21 586315658 YDJONWXUXNSNMT-DBDZUICISA-N 409.460 1.108 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 609293445 IEMHUKBWRWUTDW-UHFFFAOYSA-N 417.535 1.225 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCc2[nH]nc(C(F)(F)F)c2C1 610987330 CIEFFQVGPQYTGI-NWDGAFQWSA-N 419.411 1.932 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(-c2ccncc2)c1 727107459 CCTVIZLWIYGDBY-UHFFFAOYSA-N 410.459 1.725 30 10 HDEE COc1cc(OC)c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)[nH]c2c1OC 732153066 DWWVQJAMJYGOTN-JZJYNLBNSA-N 414.418 1.450 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2ccc3c(c2)OCCO3)CC1 742175487 VDBYLSXBVULYRW-UHFFFAOYSA-N 414.487 1.299 30 10 HDEE N#C[C@H](C(=O)CCOCC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 751830496 MAOXYCXUTYYQDS-GOSISDBHSA-N 400.435 1.769 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 754387327 DHHVCDGXGGJFHJ-MRXNPFEDSA-N 421.519 1.994 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c1 764825850 NRDBKOFOEGJSHZ-UHFFFAOYSA-N 423.491 1.354 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1(N2CCOCC2)CCC1 769825125 KVPPRQUKNCAGDB-UHFFFAOYSA-N 409.446 1.481 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774193862 AIXONHGRTHJNMJ-HOTGVXAUSA-N 413.540 1.608 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(C3(C#N)CC3)cc1)c(=O)n2C 777171634 CJUOBZULOQYPHT-UHFFFAOYSA-N 407.430 1.236 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 782102297 LLRFMXZWELAFCJ-MRXNPFEDSA-N 418.523 1.317 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCC 782919942 XJEADMULTPETDZ-UHFFFAOYSA-N 404.495 1.673 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 783017801 XUMYQZGRSDPXNU-HOCLYGCPSA-N 417.890 1.651 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(CC#N)CC2)[C@H]2CCCO[C@@H]2C1(C)C 783637427 DAXKTIOXSYZFLQ-QYWGDWMGSA-N 406.527 1.753 30 10 HDEE COc1cnccc1N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 794702510 XTXJUZIMGFPONV-JOCHJYFZSA-N 420.473 1.509 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)ccn1 795971744 MVBYBBGVPPFPDQ-UHFFFAOYSA-N 420.469 1.850 30 10 HDEE C[C@@H](C(=O)O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 798742740 SOIMHKBBRAFJPL-GXFFZTMASA-N 409.324 1.958 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)cc1 810166363 RQACHBZQLNHPPG-OWBBVQPASA-N 416.507 1.902 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)CC1 810984041 PLHFYYDVAYOXJN-RHSMWYFYSA-N 408.524 1.665 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 812178767 KILULOWPLNISTO-QGZVFWFLSA-N 412.494 1.995 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1)c1ccc(F)cc1 812940567 WFZRDPORFGEILV-INIZCTEOSA-N 410.467 1.652 30 10 HDEE COc1ccc(C2=NO[C@H](CNS(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc1F 813701288 HFSKGJCOYGGEEO-AWEZNQCLSA-N 404.423 1.881 30 10 HDEE CC(=NNc1ccc(Br)cn1)c1ccc(S(=O)(=O)CC(N)=O)cc1 814832321 LVGDGDYTOKFIPK-UHFFFAOYSA-N 411.281 1.939 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1F 816697067 PZVOICSPKAHCTA-INIZCTEOSA-N 407.423 1.655 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCOCC2)C1 819467563 DIDMRJLAKHSULW-INIZCTEOSA-N 405.520 1.779 30 10 HDEE Cn1c(=O)c2cc(NC(=O)c3ccc(Br)cc3C#N)cnc2n(C)c1=O 1124532289 ATABDVRBMUTTCV-UHFFFAOYSA-N 414.219 1.519 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1125933125 UETXZODNLNHMNW-UHFFFAOYSA-N 413.503 1.904 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1136461162 ZUZDRLJFTMTENB-AWEZNQCLSA-N 403.483 1.688 30 10 HDEE C#C[C@H]1COCCN1C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1142008205 SEJMYIMGAGNQFZ-PGRDOPGGSA-N 417.465 1.361 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@](C)(CO)c2ccc(O)cc2)ccc1F 1143493056 ZALFFBMBLOIJHK-LJQANCHMSA-N 408.451 1.633 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)CCN1Cc1ccccc1 1146352975 HHOJWNZWHSQCSQ-SFTDATJTSA-N 422.485 1.510 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H](NS(=O)(=O)c3cccs3)[C@H](C)O)cc2n1 1156690843 UBJSIZWJOLNHDA-YVEFUNNKSA-N 420.516 1.950 30 10 HDEE N#C[C@]12CN(C(=O)c3ccnc(Cl)c3Br)C[C@H]1CS(=O)(=O)C2 1157893919 SPJYRZSNFVODDO-ISVAXAHUSA-N 404.673 1.508 30 10 HDEE COC(=O)[C@H](CC(C)(C)C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1163077343 FUTYYRCYSGROIL-OCCSQVGLSA-N 409.508 1.598 30 10 HDEE N#Cc1ccc(CC(=O)CN2C(=O)N[C@@]3(CCN(Cc4ccccc4)C3)C2=O)cc1 1165958855 HMCQEJXBPNQYDO-HSZRJFAPSA-N 402.454 1.866 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)c1nnn(CC#CCN2C(=O)c3ccccc3C2=O)n1 1189616517 NREWOCCFCJMURC-ZDUSSCGKSA-N 410.434 1.558 30 10 HDEE C#C[C@](C)(CC)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1190518109 IRFTXDHEHFQSEM-QGZVFWFLSA-N 400.522 1.096 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(N)=O)c2ccc(Cl)cc2)c1 1196002556 GGFYQLUTMNGFRF-MRXNPFEDSA-N 407.879 1.761 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1212392030 CZZFWTACIGXFHH-LBPRGKRZSA-N 404.282 1.678 30 10 HDEE C#Cc1ccc(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1220351498 YWHIPHJUAWMEJM-UHFFFAOYSA-N 404.414 1.651 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1228822247 XZDMIDOWSGJHHE-ILXRZTDVSA-N 417.514 1.870 30 10 HDEE CC1(C)[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C[C@@H]1OCc1ccccc1 1235186813 QDEANLPAHLDTDJ-RYLXDESZSA-N 417.531 1.950 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(Cn3cccn3)on2)c1 1264809640 ODLVTFBPKPYVRA-UHFFFAOYSA-N 419.441 1.406 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)CCOC)[C@H]1CCS(=O)(=O)C1 1286396383 UPDUKWBGIRCXOZ-PXNSSMCTSA-N 424.567 1.350 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1286776040 WSEMYYPIPVXXBM-UHFFFAOYSA-N 404.465 1.591 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286786221 ORQWVIGEHFLEJR-UHFFFAOYSA-N 414.470 1.794 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286817103 PRFPVBSOVMSIBP-JKSUJKDBSA-N 405.524 1.945 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1288986308 RHHUKMRVVIJNQY-KRWDZBQOSA-N 418.567 1.572 30 10 HDEE Cc1cccc(NC(=O)CSCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1289202135 YSJHTSJJTRIKAM-KSSFIOAISA-N 407.517 1.064 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CC23CCS(=O)(=O)CC3)CC1 1290342303 FFDMHKWSWJWHIQ-MSOLQXFVSA-N 405.495 1.749 30 10 HDEE Cc1nc(Cc2nnc(N3CCS(=O)(=O)CC3)n2Cc2ccc(C#N)o2)cs1 1290440568 UYEYTFYOFCNBBF-UHFFFAOYSA-N 418.504 1.382 30 10 HDEE CCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1292904723 MRCJYPDZQLSNSW-MNGLYYNBSA-N 401.515 1.286 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(-c3ccc4c(c3)OCCO4)n2)c(=O)nc1O 1293251994 FBUUDQHBVUJDTH-UHFFFAOYSA-N 405.370 1.292 30 10 HDEE CCC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1294065582 DGOIRWKIMUQEDW-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1295094306 ZUWNDMQLYZIMIU-KBZZJAQTSA-N 418.498 1.301 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1296571509 XCNYYNIAWSUZCC-RTWAWAEBSA-N 416.526 1.539 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1298135332 YLPJHNKIJVEGOY-MAUKXSAKSA-N 415.519 1.867 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1 1298877480 GGHYITDAOFJLIH-IFXJQAMLSA-N 402.886 1.394 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(N(C)C)CCOCC2)CC1=O 1298890315 GAUBATBBFWOODN-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)cc1 1299992245 KGFDZVAJFKNFRZ-AWEZNQCLSA-N 408.466 1.903 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[C@H]2C)c1 1300332707 LJNYIOKRPIOBJC-HFTRVMKXSA-N 406.490 1.941 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300372921 WWSGVPHATVDMOZ-GOSISDBHSA-N 410.526 1.499 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)cc2)CC1 1300703428 JXYRAMSYXAJPCI-UHFFFAOYSA-N 415.501 1.166 30 10 HDEE N#Cc1ccc(NCC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1300716253 XZGNRFZDRQBGHI-UHFFFAOYSA-N 402.252 1.674 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300884591 KVDMDZVMCYJRRZ-ROUUACIJSA-N 423.583 1.902 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1301220283 SWBYOJATKYJACG-QGZVFWFLSA-N 405.418 1.728 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1(C)COc2ccccc2O1 1301396460 ZSPNPTMMVOHALJ-XOBRGWDASA-N 415.471 1.571 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(Cc2nccs2)CC1)c1cc[nH]n1 1302135021 CETJVZXLMQZJPS-UHFFFAOYSA-N 405.480 1.631 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CC2CCN(C)CC2)c1 1302218568 RFBRWGWTBSMEQR-UHFFFAOYSA-N 407.536 1.029 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)CNc3ccc(C#N)cn3)c3nccn32)C1 1304038441 WETHKYGFJPZDAB-HNNXBMFYSA-N 423.477 1.769 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc3c2OCCO3)s1 1304736992 KNMMJUCKCYFMQS-UHFFFAOYSA-N 408.501 1.843 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1CC(=O)N(CCC#N)c1cccc(C)c1C 1307936243 BOIJQLWYGUFHGD-MJGOQNOKSA-N 415.490 1.977 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCc3cnc(N)nc3C2)n(Cc2ccco2)c1C 1307936575 FPEAJYKJXYFUSS-UHFFFAOYSA-N 405.462 1.987 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCC(c2ccc(C#N)cn2)CC1)[C@@H]1CCS(=O)(=O)C1 1307958459 URJIRTMONRBISH-QFBILLFUSA-N 418.563 1.947 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(O)(COCCO)CC2)n(C2CCCC2)c1C 1308090642 UGWLSORJLSPREV-UHFFFAOYSA-N 418.538 1.866 30 10 HDEE C[C@@H](C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(C#N)cs1 1308113397 MTYUAKYWJXBDCL-OLZOCXBDSA-N 406.533 1.965 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)cc(C(F)(F)F)c2)CC1 1310975727 GDWFVNHFPBEHAT-UHFFFAOYSA-N 404.414 1.631 30 10 HDEE COc1ccc([C@H](O)C2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 1324111235 AQTIIRUZEROCLR-AGGMBTAESA-N 413.474 1.884 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1358907024 AMCDABBPKZGHLL-HXUWFJFHSA-N 406.490 1.962 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1358943323 DTBDRDYQEKYLKW-UHFFFAOYSA-N 405.235 1.488 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)nn1C 1358983930 BFESFADABHJUHX-UHFFFAOYSA-N 402.462 1.479 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1359009092 IAAYEGMALNIRLQ-UHFFFAOYSA-N 420.525 1.593 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccnc1-n1cccn1 1359027799 WPDYUZAJWJCKKL-GOSISDBHSA-N 407.478 1.845 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)NCCc2ccccc2)CC1 1359033490 DNFIKSUMLXSAPP-UHFFFAOYSA-N 417.517 1.387 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC2CC2)C1 1359299547 HUAOXZNDZLOHJX-ROUUACIJSA-N 403.527 1.870 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@@H]2COCCO2)C1 1359313548 NWEIFTXBPJSMHP-DBXWQHBBSA-N 422.526 1.517 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nn2c(c1Br)CCC2 1435552518 OXVHGNZKDCEIEG-LLVKDONJSA-N 416.283 1.604 30 10 HDEE CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)ccn1C 1436871349 KBKOXQPLNZRSAX-UHFFFAOYSA-N 404.448 1.646 30 10 HDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)C1CCN(C)CC1 1439603388 KWCWERAYPKOPSL-UHFFFAOYSA-N 409.577 1.631 30 10 HDEE CCOC(Cn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1)OCC 1445370601 LGMBLTHJBWLYAO-MRXNPFEDSA-N 421.498 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)OC)s1 1446871017 RQWDTUIFENETQU-RDTXWAMCSA-N 414.549 1.993 30 10 HDEE C=CCOC[C@H](NC(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1)C(=O)OC 1448492676 GERWESXMROANQH-ZBFHGGJFSA-N 421.519 1.659 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc([C@@H]3CCCO3)nn2C)s1 1448995775 YXUCCWRXEZHBDS-AWEZNQCLSA-N 410.521 1.979 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@@H](c3ccccc3)[C@](F)(CO)C2)cc1 1450426684 GNMSIEHNVYPJRC-AZUAARDMSA-N 417.462 1.163 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CC[C@@](O)(CC#N)C3)ccn2)CC1 1452255653 YNBSLLSFMVXYGW-NRFANRHFSA-N 415.494 1.629 30 10 HDEE COc1cc(C(=O)N2CCNC(=O)CC23CN(C(=O)OC(C)(C)C)C3)ccc1C#N 1454278781 JLJIICHWKWJSJV-UHFFFAOYSA-N 414.462 1.518 30 10 HDEE C#CCN(C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)[C@H]1CCS(=O)(=O)C1 1456085397 LDAPYXFVJNVITN-KRWDZBQOSA-N 416.459 1.411 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc([C@H](C)Nc2[nH]c(=O)n(C)c(=O)c2C#N)cc1 1458047290 CTAKXIJDLMGAJP-LBPRGKRZSA-N 405.480 1.149 30 10 HDEE C=CCN(C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCS(=O)(=O)C1 1459686748 MWJTULALQQNYEL-HOTGVXAUSA-N 400.541 1.830 30 10 HDEE C[C@@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1463912690 GTYOJOBWVAYAHP-NVXWUHKLSA-N 417.510 1.466 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1464963889 PBYVWNMAIJHVDN-HIFRSBDPSA-N 419.279 1.211 30 10 HDEE CC(C)[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1469518060 BGPNUEFBYPYZJW-OAHLLOKOSA-N 423.535 1.845 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@]1(C)C[C@@H](O)CN1C(=O)OC(C)(C)C 1469875094 UBMHBDMRHOSSQJ-WWMYMODYSA-N 403.479 1.810 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1470200607 DFRJMHIHUPAWON-BBWFWOEESA-N 422.526 1.583 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)CC1 1471809121 IPVILDDSESVVCV-SFHVURJKSA-N 421.538 1.637 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCOc3ccccc32)c1 1471842922 AFMYQKDDDWJGMY-UHFFFAOYSA-N 415.471 1.306 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@]23CCCC[C@@]2(CN(C)C3)C1 1472416661 DPYNAQWGASNRSC-HBGVWJBISA-N 416.547 1.559 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)C1 1479315133 ZTOVMLYWYYBWLM-KRWDZBQOSA-N 407.536 1.598 30 10 HDEE CCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1500649151 XULAMUSNJSEIBB-FBMGVBCBSA-N 424.465 1.298 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)NC(C)(C)C)CCOC1 1502618210 HIPWKODSKMXKKS-MGPUTAFESA-N 406.531 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1507536464 OJQJUYMFPSSBOB-AWEZNQCLSA-N 415.448 1.779 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H](C)CN2CCOCC2)c1 1507550625 NMARXUMIBFOPCR-SFHVURJKSA-N 424.549 1.865 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1507562494 KRQMDSFGVDVEGN-QGZVFWFLSA-N 419.493 1.426 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(=O)(=O)CC 1507605404 QTBCMIXFDNWJPD-UHFFFAOYSA-N 418.523 1.156 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1507642083 GOXXILUQTXRWTD-HNNXBMFYSA-N 413.503 1.040 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@@]1(O)CCc2ccccc21 1507642484 KAVKTXQIJSCQDF-MBSDFSHPSA-N 408.502 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN1CCC(O)CC1 1507644686 LTXNRFVSDKOQPN-UHFFFAOYSA-N 422.489 1.773 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCc1nnc(C)s1 1507702640 LLZYNZSZRAUZJK-UHFFFAOYSA-N 417.539 1.393 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)C(C)C)CC1 1507735981 CJHWXZZJRSZKTL-UHFFFAOYSA-N 423.521 1.078 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCC2(O)CCOCC2)C1 1508120107 YXAOGVRGRXSVHC-MRXNPFEDSA-N 400.483 1.448 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1508142176 QZZWBJLGZRTNHN-USXIJHARSA-N 410.540 1.387 30 10 HDEE CN1CCN(CCn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1517420165 BRHNZLUOABGSRU-FQEVSTJZSA-N 413.505 1.203 30 10 HDEE COCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1519067577 NPBQCVTXZSNWHI-HXUWFJFHSA-N 411.441 1.670 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](OC)C2CC2)CC1=O 1519205636 FPUILVDQXNGMLQ-LJQANCHMSA-N 424.505 1.537 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1519276062 HNCFGJPJCQINLB-LIRRHRJNSA-N 420.493 1.839 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCC[C@H]1C 1519431531 WCNRLSICGHYWSG-MWTROVGWSA-N 407.490 1.995 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc3cncc(Br)c3n2)CC1 1524011541 WHHAPTOAFLRQMQ-UHFFFAOYSA-N 401.264 1.994 30 10 HDEE Cn1nc(I)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1527485545 ZQZZXUNLKZAKEG-NSHDSACASA-N 423.214 1.585 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2Cc3ccc(C#N)cc3C2)C1=O 1530404534 XGPVQHBYMXAMEZ-JOCHJYFZSA-N 404.426 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N[C@]3(C#N)CCSC3)nn2)C1 1534756468 OUZPJCKQKPMWHY-UGSOOPFHSA-N 406.512 1.979 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)c1=O 1537574191 ILWAQZQBBGMOSO-CQSZACIVSA-N 420.466 1.937 30 10 HDEE COCCc1ccc(OCCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1538308818 VQYKGLDKCLSYSX-PXNSSMCTSA-N 406.504 1.431 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539165492 BPQQKMHJGCCSNE-MRXNPFEDSA-N 424.530 1.844 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1539221699 RFALCPXXJSLRJG-MSOLQXFVSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1539278546 GACBRVKCZFNPCY-UHFFFAOYSA-N 418.432 1.611 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1539359730 PTPJGSSZVQBRFS-UHFFFAOYSA-N 407.482 1.249 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(C)C)N1CCOCC1 1539376588 AFTIPMPHGVOCFB-HXUWFJFHSA-N 413.570 1.956 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)c(OC)c2)CC1 1539447104 OCFJHTFPLIPEAJ-SFHVURJKSA-N 411.506 1.603 30 10 HDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1539715882 JXYCENLNNRVNIL-SJLPKXTDSA-N 411.462 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1540901647 LCUNWOITRANGTC-INIZCTEOSA-N 403.508 1.809 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](COC(C)C)C2)n1Cc1ccc(C#N)o1 1541681107 KLAMHJQEMYINJH-QGZVFWFLSA-N 416.482 1.559 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1541802383 PFZNDHMAMCKDMB-CYBMUJFWSA-N 413.482 1.790 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCCc2nn[nH]n2)c1 1543195603 MJDFHIFAVSEJNS-XLNRJJMWSA-N 419.511 1.754 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1543288333 LRHRWQWNBNIMNC-CQSZACIVSA-N 409.265 1.503 30 10 HDEE CCn1cnnc1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1547632659 QZZSNEFEXVBRRW-KRWDZBQOSA-N 401.475 1.736 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CCO1 1554442374 ALGGUDTYPWTGCK-GOSISDBHSA-N 421.461 1.421 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)COCCO1 1555630389 ZJDNTAJCOADFAE-JXFKEZNVSA-N 407.515 1.938 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC=CCC2)cc1 1555988272 VSVGPMVILYGFEA-UHFFFAOYSA-N 405.506 1.780 30 10 HDEE CC1(C)CCC[C@@](CO)(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1557536759 CAUYUQVTWAGZEF-HXUWFJFHSA-N 407.536 1.953 30 10 HDEE C#CCN(C(=O)C1CC2(C1)CS(=O)(=O)C2)C1CCN(C(=O)OC(C)(C)C)CC1 1558369807 DQEDWGDLIJSACU-UHFFFAOYSA-N 410.536 1.673 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 1564644009 FXUFTIZVMKAOOY-QGZVFWFLSA-N 415.490 1.653 30 10 HDEE N#Cc1ccc(CNC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)nc1 1564874167 RWLOOBOFXPPBFU-CYBMUJFWSA-N 401.224 1.473 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)F 1569441241 KUDFVAXDUFYTHT-KTEBKFLVSA-N 416.425 1.568 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1587621096 OJMAPEOJYYRCOY-MMEWPQADSA-N 412.519 1.419 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)CC)n2C[C@]2(O)CCN(C)C2)c1 1587683163 CVXNWLZBCCFTPA-HXOBKFHXSA-N 424.549 1.914 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1587985193 VMADTHSTDHOUHF-HKUYNNGSSA-N 410.522 1.910 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCn1cncn1 1588251204 OGTYNTVQTZKCHZ-UHFFFAOYSA-N 400.446 1.483 30 10 HDEE C[C@@H](CC(=O)NCc1nc2cccc(F)c2[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1588438482 ZIPXXCIWLVZLEA-NSHDSACASA-N 415.450 1.836 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1595244265 XWTYRTLVOLXDDL-FQEVSTJZSA-N 403.483 1.396 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1 1595790076 IPNYPMRXNYNJFA-HKUYNNGSSA-N 401.532 1.814 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)OC 1596245056 SUWKJQITPBTMCW-MRXNPFEDSA-N 410.492 1.335 30 10 HDEE Cc1ccc(C(=O)NCc2cncc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1596855814 KZZIUVKULHKHEU-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE Cc1nc(C)c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[nH]1 1596953409 HJIZVJFIACZRNR-UHFFFAOYSA-N 403.508 1.942 30 10 HDEE C#CCN(C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)[C@H]1CCS(=O)(=O)C1 1597139350 XKEDEWPCRJZFSI-LBPRGKRZSA-N 415.393 1.567 30 10 HDEE CC(C)CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1607305153 KDIQGZWXTXQBLB-FMQUCBEESA-N 409.494 1.883 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C1 1611243846 CJEBRUCSJYIVBS-AEJSXWLSSA-N 400.690 1.983 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 1616994204 WTLAFQBPNCGTMN-RTBURBONSA-N 406.571 1.920 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1622130380 AVVZEZIFVMUXST-MRXNPFEDSA-N 416.565 1.857 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2(S(=O)(=O)c3ccc(F)cc3)CCCCC2)CC1 1622396000 PJRWSTKIEQVFOY-UHFFFAOYSA-N 421.494 1.887 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1625437944 XVNHYNZCBVEXAV-MRXNPFEDSA-N 403.483 1.532 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1625885988 ZUGNCHAFJQVHOY-FPCVCCKLSA-N 413.540 1.665 30 10 HDEE C=CCN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1627255826 OXJIKTPWKVDUIG-SLBVQIDZSA-N 413.440 1.739 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1cncc(Cl)c1 1627340384 MJDIIUSJQUFKGE-GFCCVEGCSA-N 408.867 1.469 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1628350981 UGMDEUWOWAWAEX-HDICACEKSA-N 419.547 1.266 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1628903716 MPRRDSNEBVWKTR-IFXJQAMLSA-N 401.488 1.903 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 1630896071 QEUZHLLJXXTPSK-UHFFFAOYSA-N 419.489 1.533 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCC1(CO)COC1 1632301803 OPGHJUVKVFNISR-QGZVFWFLSA-N 401.463 1.518 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CC(=O)OCC)s1 1634755099 AMCAMIWCPICEEM-CYBMUJFWSA-N 400.522 1.699 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@@H](S(C)(=O)=O)C1 1635396663 FRUMLIUQHFMVST-CABCVRRESA-N 401.529 1.999 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)C1 1635488734 WZXKWXLQRAHIAK-FQEVSTJZSA-N 424.486 1.320 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1CCN(O)C1=O 1636352454 IJFAEOJTVIMFNK-CABCVRRESA-N 403.435 1.975 30 10 HDEE C[C@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(O)C1=O 1637667152 AQBBNMPCMFRYBU-USXIJHARSA-N 421.494 1.981 30 10 HDEE C#CCN(C(=O)CN1CCCCS1(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638331542 YASPUEBLGNXBQT-UHFFFAOYSA-N 413.540 1.273 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1639008387 JWAOYJYYXYCZAN-UHFFFAOYSA-N 422.422 1.996 30 10 HDEE Cn1c(=O)[nH]c(N(Cc2ccc(C(=O)NC3CC3)cc2)Cc2ccco2)c(C#N)c1=O 1639599644 CZNPGZBMVALAGC-UHFFFAOYSA-N 419.441 1.637 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)cc1 1640097450 WBFMDWAQQDQXJA-GOSISDBHSA-N 406.504 1.256 30 10 HDEE COc1cc(CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(Br)cc1O 1640802229 JVAIRRADIBFILM-MSUUIHNZSA-N 424.251 1.696 30 10 HDEE CN(C)c1ccc2nnc(CNC(=O)C3CCN(c4ccc(C#N)cc4F)CC3)n2n1 1645337870 MNNNDCGOFCEIBO-UHFFFAOYSA-N 422.468 1.734 30 10 HDEE C=CC1(CC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)CN(C(=O)OC(C)(C)C)C1 1645679894 PAFMQNQNXMNQBF-JOCHJYFZSA-N 423.554 1.532 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC2(CCS(=O)(=O)CC2)C1 1648069668 YJDJUNDGPYJKML-OAHLLOKOSA-N 414.524 1.099 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCn2cncc2-c2ccccc2)c1 1648083557 ZMGUDOWZVNWKMB-UHFFFAOYSA-N 408.483 1.892 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)o1 1652332369 VJQNAHBJSFQCOE-CQSZACIVSA-N 403.464 1.513 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1c1cnccn1 1653947703 NKJBMECALAAAJZ-HNNXBMFYSA-N 414.491 1.019 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)C2CS(=O)(=O)C2)n(Cc2ccccc2)c1C 1654523776 JZYYIFULSOVHGU-UHFFFAOYSA-N 400.504 1.692 30 10 HDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1655430662 DSLJXZDQXZXQRH-FQEVSTJZSA-N 400.435 1.166 30 10 HDEE C#CCC1(O)CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1659929452 QRMGTTXPAASSIR-SFHVURJKSA-N 413.474 1.249 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Br)ccc1C#N)C(=O)NCC(F)(F)F 1661524726 GPUDMYMDJFQATM-SSDOTTSWSA-N 414.203 1.666 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC3(CCC3)Oc3ccccc32)CC1 1684068106 KFYSCFIVTOLDGO-QGZVFWFLSA-N 418.519 1.228 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1689831617 NZLRZWKDPSMGFV-YLJYHZDGSA-N 407.584 1.825 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689968760 FUYVFJARNBCVQY-IBGZPJMESA-N 409.538 1.276 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689991217 YLSFFIMIDDZNFF-SQNIBIBYSA-N 420.535 1.492 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(C)nn(C)c1C 1690095528 SZHLTKWEFFYYPT-OAQYLSRUSA-N 416.526 1.415 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCO[C@@H]1C 1690104827 JYBGBWSYOHBXEZ-VFNWGFHPSA-N 420.460 1.773 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC=C)CC1 1690154358 MOXNKZBISMNRHT-OALUTQOASA-N 415.538 1.934 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2ccc(C(N)=O)nc2)c1 1705504095 MRBGLBXMACYSOK-UHFFFAOYSA-N 403.446 1.185 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1705517156 POEDRLUFPNHWAM-HOTGVXAUSA-N 408.524 1.373 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CN(CC(C)C)CCO1 1705553990 GNMXEVWIPXAPIG-FQEVSTJZSA-N 421.549 1.943 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1705559841 GHHWBVLTRIATRI-BEFAXECRSA-N 406.508 1.529 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1705561970 WIGYBVFRXKFGOR-LJQANCHMSA-N 401.536 1.323 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1705578264 LXQZSMKITFNUCR-UHFFFAOYSA-N 414.487 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2)CC1 1705583119 QNROLEJCWFUUCI-SFHVURJKSA-N 408.527 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@@](=O)CC 1705596042 PZZVYCUQASNNAR-PMERELPUSA-N 422.514 1.825 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1705624788 PAGAEWROWKYFGR-SFHVURJKSA-N 411.506 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(=O)N(CC)CC)CC1 1705639002 DDLVWFNBZPYCNM-LJQANCHMSA-N 416.570 1.924 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)C)CC1 1705746843 ANSXFBRVWXSUMC-AWEZNQCLSA-N 404.968 1.561 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705810751 GZLQFGJXUDOFHQ-INIZCTEOSA-N 423.525 1.759 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1705925465 PQHDOBYIWHOXLN-AEFFLSMTSA-N 423.583 1.999 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2)C1 1705925785 UKEQYRQENISKSZ-HRCADAONSA-N 412.581 1.715 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCN1CCOCC1 1706599258 KFAVYDAPAWNWIP-UHFFFAOYSA-N 417.558 1.659 30 10 HDEE Cc1nnc(N2Cc3ccccc3O[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1707874914 KIWJFIVWKAXBPS-YISVQYQQSA-N 408.462 1.900 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1711274019 MGKZJMLJOYCABN-QZTJIDSGSA-N 405.865 1.502 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCCCC1 1711387712 GKDMCGCVFZBQPO-UHFFFAOYSA-N 423.521 1.792 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ccnc(O)c1 1719908554 JEEPKKTYBVSWHE-DZVNLGKHSA-N 401.463 1.143 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1722301933 PCYHWJGUEWNPPW-SFHVURJKSA-N 422.533 1.743 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCc2n[nH]c(C)n2)CC1 1722447059 COTMFIZAAJSLJF-UHFFFAOYSA-N 410.526 1.571 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)CC1 1722583705 TZPYHLUYFVZEJI-MSOLQXFVSA-N 407.584 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCCC 1722698259 XQDYJDUWWFIPSJ-UHFFFAOYSA-N 419.555 1.777 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)C1 1722714948 QDNKYKKJGKJUNY-IRXDYDNUSA-N 402.543 1.885 30 10 HDEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1722856258 KMNQSUCJFUGIJZ-UHFFFAOYSA-N 409.494 1.435 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1723773075 DEQAEJZMSSLKJF-HNNXBMFYSA-N 416.507 1.616 30 10 HDEE Cc1nnc(N2CCO[C@@](C)(C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1726411790 KLSQZULDSTVBSP-KBZZJAQTSA-N 402.499 1.754 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@H]1OC 1729707054 IFHCNCGJTZUSGE-ZWKOTPCHSA-N 412.494 1.441 30 10 HDEE CO[C@]1(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CCOC1 1729952517 INEYSHZQXNTPAU-SLFFLAALSA-N 423.489 1.566 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2OC)n1C[C@@]1(C)CN(C)C1=O 1730760857 CUYVRGDVLRALRE-OAQYLSRUSA-N 412.494 1.798 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1Cc1nncn1C 1740607037 BKBIARAMMRQRAJ-UHFFFAOYSA-N 417.477 1.482 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740625710 HSLDEKXVCMMHOZ-KRWDZBQOSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740639655 DQRDPWIXZOXGPK-XMTFNYHQSA-N 404.536 1.457 30 10 HDEE C#CCN(CC)c1nnc(-c2cn(C)c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1740667623 KLKKRWRRZCBQIP-KRWDZBQOSA-N 419.489 1.885 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCn2ccnc2C)CC1 1740700242 LFZYOYIPMACNPA-UHFFFAOYSA-N 423.496 1.957 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCC(=O)N(C)C)CC1 1740702595 TUISFHHBFSPVRX-MRXNPFEDSA-N 402.543 1.626 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccsc2)CC1 1740706709 ZYQYEZIUAWMQPQ-INIZCTEOSA-N 412.519 1.305 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740715299 VLDVTEOGKCOHLH-LJQANCHMSA-N 400.508 1.681 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)C[C@H]1C 1740749676 BTBYWIRQDUUIGJ-RYRKJORJSA-N 416.526 1.162 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C)s1 1740941456 LKHVKGMTDDVAKR-CYBMUJFWSA-N 412.541 1.027 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1741801653 CCHUSVNOIQPGOT-FUHWJXTLSA-N 423.521 1.852 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1743253781 CZIRNWVBSBQYJV-HOTGVXAUSA-N 417.535 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCC 1748641056 ZBNHXOOTTHKJQI-KBPBESRZSA-N 406.512 1.188 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1748744687 FYURFXHGJPKABP-UHFFFAOYSA-N 423.521 1.636 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)[C@H](C)CC 1748892722 WBKJZBCIRGGGAS-KZNAEPCWSA-N 406.552 1.704 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ncnn1C(C)(C)C 1748965510 SNXFDSQZFWNDSP-UHFFFAOYSA-N 408.510 1.745 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[C@@H]2COCCO2)CC1 1748979934 SWAITGHEJQGLQZ-HXUWFJFHSA-N 411.506 1.514 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1749462522 ZTBBYEMWJQTTDI-UHFFFAOYSA-N 405.524 1.685 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H]1c1nncn1C 1749664468 OIPUWJOERYFBFY-MRXNPFEDSA-N 410.457 1.856 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)c1ccc(C)cc1 1749670741 VTCHLUDHESIENT-OAHLLOKOSA-N 403.508 1.559 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CC2)C1 1749705279 HRZPDQKQOHUEJH-HNNXBMFYSA-N 405.524 1.642 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749712315 ICMKVYGMWHMUDR-OAHLLOKOSA-N 407.515 1.916 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)C[C@@H](C)C#N)CC1=O 1749860866 BGKRDJREHIHAJN-WMZOPIPTSA-N 421.505 1.908 30 10 HDEE CC(=O)NCC1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1750009578 XHWDZPZIQYDTHD-UHFFFAOYSA-N 424.505 1.606 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H]1COCCO1 1750139263 KYYBWOLEMFPVPM-FPXQBCRKSA-N 409.462 1.250 30 10 HDEE C[C@@H]1CCCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1752172356 COAIZMIOPWIALI-SQNIBIBYSA-N 415.542 1.470 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N1CCSCC1 1760169163 CTKIKJUBZBNYMU-UHFFFAOYSA-N 423.539 1.532 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)NCC=C)CC1 1760255289 XGTWYEHDCDVYLQ-UHFFFAOYSA-N 424.505 1.020 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](COC)C1 1760306083 AUMHXBYTJIGXJI-ZIAGYGMSSA-N 401.305 1.932 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760346304 RIUXNCGKIXSZMR-ZDUSSCGKSA-N 414.491 1.291 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccccc1 1760360501 DNTQNWMIAVNFJU-SFHVURJKSA-N 408.506 1.941 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCO1 1763177091 ARHVHBANMKCKQT-INIZCTEOSA-N 401.467 1.353 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1763226507 OPOQZJZDLFBJEL-MRXNPFEDSA-N 401.467 1.353 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC(F)(F)C1 1769844734 CPXJMTHJGPFFOR-AWEZNQCLSA-N 417.482 1.592 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CCC=CO2)cc1 1770738240 HEOUKOCLAPGPRE-SJLPKXTDSA-N 408.462 1.733 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)CCO1 1770939909 BRZPCYNWAULGCG-SFHVURJKSA-N 424.505 1.714 30 10 HDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1771051765 MUSOWSLQPCISSG-GOSISDBHSA-N 423.521 1.854 30 10 HDEE COCCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1771254119 GCBWYOUXTKBBFG-WBVHZDCISA-N 401.467 1.927 30 10 HDEE O=C(CNS(=O)(=O)c1ccccc1F)NCC#CCN1CCc2ccccc2C1 1850082990 GKJXKQVCDYOMFA-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE CN(C)C(=O)[C@H](C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1)c1ccccc1 1850412934 IJHHIPYLAIIDGR-HXUWFJFHSA-N 410.518 1.859 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cncc(Cl)c2C)C1=O 1853804305 GUASVEASTXEPDA-IRXDYDNUSA-N 404.898 1.893 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)C(=O)C2)cc1 1854031316 AQBPTTGMUPOBQA-MOPGFXCFSA-N 409.467 1.721 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OCC(C)C)nc2)C1=O 1854209281 GKMNPUBJYZFTFU-ZWKOTPCHSA-N 414.506 1.576 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@@H]1C 1854283023 UPLGIDJTBIDPEL-UONOGXRCSA-N 402.520 1.404 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1854468969 ZGAICBCFTJDYLJ-INIZCTEOSA-N 409.483 1.226 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC3(CC3)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854516589 KHQGBBKZJHHZFE-UHFFFAOYSA-N 401.488 1.887 30 10 HDEE Cc1ccn2cc(C(=O)N3CCN([C@@H]4CCN([C@H](C)CCC#N)C4)CC3=O)nc2c1 1854947684 PWBSFDRKGNNMBP-QZTJIDSGSA-N 408.506 1.694 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)Cn3c(=O)oc4ccccc43)C1=O)CC2 1855176107 FZTMQCSPYFIUJT-RDJZCZTQSA-N 408.458 1.738 30 10 HDEE C[C@H]1CCN([C@@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCS1(=O)=O 1855433720 VOQTUPSQAKKLTC-MAUKXSAKSA-N 403.504 1.589 30 10 HDEE Cc1ncn(CC(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(=O)c1C 1855472618 YKLJFJCTOUMJQU-ROUUACIJSA-N 411.506 1.394 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnc3ccccn3c2=O)CCN1Cc1ccc(C#N)cc1 1855579330 KIQIDFIQKRWSHB-OAHLLOKOSA-N 401.426 1.439 30 10 HDEE CCN(CC)CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1855883311 QICAXQAWKAIXCL-UHFFFAOYSA-N 406.508 1.368 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CCN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)ccn1 1856163930 ICBXVPZLCKVULS-OAHLLOKOSA-N 424.482 1.771 30 10 HDEE COc1cccc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c1 1856410549 JTMHOXQHQXOZLV-OAHLLOKOSA-N 406.442 1.714 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1856867069 TUMHWTNOBSTVFR-MSOLQXFVSA-N 401.507 1.784 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CCN1CCCC#N 1857079393 DCLUTNBAPVEHKE-OAHLLOKOSA-N 400.454 1.932 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COCc2ccccc2)C1)[C@@H]1CCN(C)C1=O 1857097690 ZHJQXTQNCZGXBZ-WOJBJXKFSA-N 413.518 1.687 30 10 HDEE COC(=O)C[C@H](N)C(=O)Nc1c(Br)cc(C#N)cc1Br 1865967807 HHGZMTLNWPKGQK-VIFPVBQESA-N 405.046 1.912 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1ccc(OC)c(N2CCN(C)CC2)c1 1869011237 COBHOBNUCAHFBK-KRWDZBQOSA-N 400.523 1.766 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCN(CC)CC2)cc1=O 1870385160 KUPPQMHQNDJNRX-UHFFFAOYSA-N 404.555 1.273 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NC[C@@H]3CCCO3)ncnc21 1875228253 HKTCTOXPUANADG-INIZCTEOSA-N 412.494 1.513 30 10 HDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)CS2 1891266376 RWNXBDWDNVCLTA-UONOGXRCSA-N 412.475 1.320 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1nn(C)cc1Br 2020337221 UPIIRJIJYLSRRL-UHFFFAOYSA-N 423.333 1.932 30 10 HDEE CC(C)(C)OC(=O)NC1CC(F)(CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174779627 LHIFPIBISHBEGT-UHFFFAOYSA-N 405.492 1.622 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](F)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174782974 XAUFCFYMNBJMEP-UONOGXRCSA-N 405.492 1.574 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C 2174784479 OEISEVKVMXYAFV-HUUCEWRRSA-N 401.529 1.729 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@@]2(CCOC2)C1 2174785080 VALHDXZASYFUCI-RKVPGOIHSA-N 401.529 1.870 30 10 HDEE CN1CCN([C@](C)(CN)C(F)(F)C(F)(F)F)[C@@H](CNC(=O)C(F)(F)F)C1 2195021298 DWEUYNWYEWODJB-WCBMZHEXSA-N 400.314 1.196 30 10 HDEE CCS(=O)(=O)N1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2235403426 QANDJBYUANWTBL-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCN1C(=O)OC(C)(C)C 2243388313 JUMXIABTNGFFGK-UHFFFAOYSA-N 406.292 1.717 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243675080 RLZZLXHNNRVBIU-OAHLLOKOSA-N 409.336 1.889 30 10 HDEE C[C@H](CCO)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247824385 SBOKZJYYCKJYJI-OAHLLOKOSA-N 414.315 1.528 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN2Cc2ccccc2)n1 2247844190 XVFINZGZJBAMLM-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2248402608 YYNSBDICBLBDKN-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC34OCCO4)c2)OC1(C)C 2255753783 SQTIYWDXGNVKOT-CYBMUJFWSA-N 415.342 1.621 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2255877954 POAATCMZKXISND-UHFFFAOYSA-N 420.322 1.734 30 10 HDEE C#CCCN(C(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258174500 AOEJSOJANQSTPX-KRWDZBQOSA-N 410.492 1.518 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2263335853 CWMLEZUGPMLTJZ-MRVPVSSYSA-N 411.260 1.897 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCc3nnc(CO)s3)sc2Cl)OC1(C)C 2281962736 CKWOMCFCUUFNKV-UHFFFAOYSA-N 415.733 1.975 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282313593 NCWWKWOFNSPCKT-VWLOTQADSA-N 406.310 1.388 30 10 HDEE CC[C@H]1CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282345815 RIRIGEZIZGXUNO-KBPBESRZSA-N 400.375 1.856 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282501460 XJMWUXXCJQATEW-ZDUSSCGKSA-N 400.375 1.513 30 10 HDEE C[C@H]1CN(C)C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509268 IQOIQINOXUJLTH-JSGCOSHPSA-N 400.375 1.417 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)c2Cl)OC1(C)C 2282641998 HPEYBZMLSWSKQR-ZYHUDNBSSA-N 401.721 1.516 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CSC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873458 LQKTYEBARFGZRX-CMPLNLGQSA-N 401.363 1.058 30 10 HDEE C[C@H]1C[C@@H](N)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876012 WZQDIEIWJFZKKX-JSGCOSHPSA-N 400.375 1.689 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](F)[C@@H](C(=O)O)C3)c2)OC1(C)C 2284397163 JIEWHKGVLFVIQM-QWRGUYRKSA-N 405.278 1.091 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284414094 OVVAXVLZYBZKNU-NSHDSACASA-N 403.331 1.969 30 10 HDEE COC(=O)N[C@H](C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2290370727 AGPNELJLJPXHGO-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE CN1C(=O)C(=CNc2cccc(Cl)c2Cl)C(=O)c2c1n(C)c(=O)n(C)c2=O 2297563831 YXTUDRHZDXVSBC-UHFFFAOYSA-N 409.229 1.546 30 10 HDEE O=C(O)[C@H](CS)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301116756 IRDKSMUBYUCLHB-AWEZNQCLSA-N 414.505 1.145 30 10 HDEE CC(C)(C#CC(=O)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317387538 ZKMCMMIPLJKNAX-HXUWFJFHSA-N 407.488 1.546 30 10 HDEE CC1(C)OB(c2scnc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c1nc2sc(C(=O)OCC)c(C)c2c(=O)[nH]1)C(C)C 36207231 IMTFQNMRBXJVDP-CQSZACIVSA-N 421.519 1.691 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3ccccn3)CC2)c1 46618286 DOOPAEYCAZVHLB-UHFFFAOYSA-N 400.504 1.945 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 64419618 NNVNELHCJVCFET-CYBMUJFWSA-N 410.858 1.462 30 10 HDEE C=C(C)COc1ccccc1NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCC(C)C 66062822 ZGCNURHZWUEEEY-SFHVURJKSA-N 417.506 1.970 30 10 HDEE C[C@H](Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)C(=O)NC1CC1 253569258 MDBACHIAIWPFCT-LBBJYAOWSA-N 420.411 1.826 30 10 HDEE C[C@H]1CN(C(=O)[C@H](C)n2cnc(C#N)n2)CCN1C(=O)Cc1cccc(Cl)c1 409768128 NGLDCKYQYAYRGR-KBPBESRZSA-N 400.870 1.666 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC(C)(C#N)CC2)cc1C 430283923 KCDYGAWNJZTVLJ-KRWDZBQOSA-N 420.535 1.368 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CC2)nc1 436689426 NYOFVFZQTCRWCZ-GOSISDBHSA-N 405.458 1.612 30 10 HDEE C[C@H]1OCC[C@@H]1S(=O)(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 442806456 BWRQVYQXRNUSCG-PXAZEXFGSA-N 407.471 1.495 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2cccc(CN3CCNC(=O)C3)c2)ccc1Cl 461208202 HWYVOQIHRKEBFI-UHFFFAOYSA-N 404.879 1.944 30 10 HDEE Cn1ccc(N2CCC[C@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)n1 462081904 ALSPWHZIZUGVPD-HNNXBMFYSA-N 405.422 1.190 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCOc2cccnc2)CC1 463345197 MGPIUDPHWOOAMD-UHFFFAOYSA-N 414.487 1.645 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 465484400 SSIJWZOYQSUUST-OFQRWUPVSA-N 402.524 1.333 30 10 HDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccnc(C#N)c1 476318977 JEBTYMPLWIAOAZ-UHFFFAOYSA-N 415.475 1.658 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)c(F)c1 480690280 QUBUBXKWDKNXRY-UHFFFAOYSA-N 423.491 1.857 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 486319476 ISTJDWZNTITVAX-RHSMWYFYSA-N 400.447 1.779 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1F 489867921 CVWDNOGTAWOPEI-GJZGRUSLSA-N 415.446 1.895 30 10 HDEE COC(=O)CNC(=O)c1ccc(NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 502562843 YUBDMPAZMOWCKE-HXUWFJFHSA-N 403.435 1.790 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 505657719 IDIKODXNYINYAW-FQEVSTJZSA-N 420.517 1.816 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 506182690 LZQQWMDZNMWBAM-JOCHJYFZSA-N 414.506 1.713 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccccc1-n1cccn1 510238459 RDBAHGSPILZZKV-OAHLLOKOSA-N 409.471 1.727 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1 536344156 VBODABAJEBDEAP-IRXDYDNUSA-N 412.533 1.000 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 540728277 AQBHFTJVQNRWJE-UHFFFAOYSA-N 419.956 1.940 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)c1 541310997 PLTCGHAGPLPBFN-GOSISDBHSA-N 414.487 1.471 30 10 HDEE COc1cc(OC)cc(OCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544856017 BIWBWHWGIRNQCB-UHFFFAOYSA-N 411.462 1.881 30 10 HDEE CS(=O)(=O)Nc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546221788 IRBFIJMQIZGZTF-UHFFFAOYSA-N 400.464 1.679 30 10 HDEE COCc1ccccc1CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 557846587 HERMVVQVJSJOAW-HXUWFJFHSA-N 413.499 1.925 30 10 HDEE COC(=O)c1conc1C(C)(C)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 566701014 SFESQWXUBDDOSS-UHFFFAOYSA-N 405.432 1.299 30 10 HDEE COC(=O)Cc1cc(Br)ccc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 576872541 HADYXTVMFDHVSY-HNNXBMFYSA-N 417.281 1.468 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 588810755 ABQRKBJYQKXHGM-UHFFFAOYSA-N 400.504 1.599 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2coc(-c3ccc(Cl)cc3)n2)CC1 591114664 TYRUBUQOTNCZBS-UHFFFAOYSA-N 402.882 1.984 30 10 HDEE Cn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccc(C#N)cc4)cs3)nc2n(C)c1=O 603507317 TXNVVYWXEBGAAW-UHFFFAOYSA-N 418.438 1.880 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN(C(=O)CC(C)(C)C)CC3)CC2)o1 603629140 WDPBBWSWXHOUTK-UHFFFAOYSA-N 416.526 1.084 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cn1 609640600 IPCDNMKTUBIWRX-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(OCCCO)CC3)C2=O)cc1 611564743 IPWHADOSVCRYGM-IBGZPJMESA-N 400.479 1.627 30 10 HDEE CN(CCNC(=O)NCc1ccc(C#N)cc1F)S(=O)(=O)c1ccc(F)cc1 619562024 VAUBXHHPESSQBP-UHFFFAOYSA-N 408.430 1.956 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 729282090 XUGNMENBFWQNMT-UHFFFAOYSA-N 414.893 1.551 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 729833010 ZAJZMWCWQDJLES-NRFANRHFSA-N 410.405 1.789 30 10 HDEE C#CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 731615257 LOIKBWHQELTFCT-GOSISDBHSA-N 401.488 1.362 30 10 HDEE C#CCN(C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@H]1CCS(=O)(=O)C1 732061249 AGSNJXVJUAKRQJ-ZDUSSCGKSA-N 400.287 1.833 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 734292355 KIWHVMXYZTULHF-QEJZJMRPSA-N 403.460 1.235 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 735848383 JSTQUFHSLNSVAB-MUDLRCDJSA-N 413.478 1.228 30 10 HDEE Cc1cnc(NC(=O)[C@H]2CSCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)s1 746208134 GSYUXAOIMBBXDE-KTEBKFLVSA-N 421.504 1.208 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)cc1C#N 746872930 QSMXHLKKNHPYRR-QFIPXVFZSA-N 422.441 1.659 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)COc2ccc(C#N)cc2)c1 749975722 NZILHOFPSZJIFF-UHFFFAOYSA-N 406.391 1.662 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)NC(C)C)C1=O 771580625 ZFVWKVMVYYKDPQ-RBZFPXEDSA-N 400.435 1.004 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CCC 772897577 IZHMSSBIGDFHPJ-UHFFFAOYSA-N 406.511 1.897 30 10 HDEE C=C[C@@H](CC)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 776104247 FMDXUXGQXQAHGN-INIZCTEOSA-N 412.483 1.947 30 10 HDEE Cc1cc(C)nc(N2CCN(C(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)CC2)n1 783354639 FNLHRQCZSKITEI-INIZCTEOSA-N 408.462 1.672 30 10 HDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)c1 784127181 VMRNWYOFSXBQAU-INIZCTEOSA-N 416.507 1.835 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CCC2CS(=O)(=O)C2)C1=O 786683576 PHCFMIADCLHNFZ-INIZCTEOSA-N 423.560 1.806 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCOC1 812385556 YAJBUCUTYWYIAH-CVEARBPZSA-N 405.499 1.692 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 817057826 YRXNMXRMSJBTFG-HNNXBMFYSA-N 409.508 1.551 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C1CC1 839378448 JHQBKDADDIRXFA-UHFFFAOYSA-N 406.467 1.373 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 856670444 IQODLUQOHNRDOG-LAUBAEHRSA-N 400.479 1.507 30 10 HDEE N#CCCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 916615753 CTFGCMAOUXDZSO-UHFFFAOYSA-N 417.281 1.931 30 10 HDEE Cc1cc(C)n(C(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)n1 1084468056 WRJXFJHTXPVSBF-UHFFFAOYSA-N 417.499 1.302 30 10 HDEE C#CCN(C(=O)[C@@H](OC)c1ccccc1Br)[C@H]1CCS(=O)(=O)C1 1125883117 IBFCQUNKWVEOJQ-WFASDCNBSA-N 400.294 1.786 30 10 HDEE C=CCN(C(=O)c1cc(Br)cn(C2CC2)c1=O)[C@H]1CCS(=O)(=O)C1 1125884464 SRSKGIDOCRXHAJ-ZDUSSCGKSA-N 415.309 1.761 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccnc(C#N)c1 1139854774 BUUWJWQDBYYBTL-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN[C@@H](c3cnn(C)c3)C2)CCCN1C(=O)OC(C)(C)C 1150584789 RDBPNWJBYMINNW-UTKZUKDTSA-N 401.511 1.686 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1156672027 CESCOBGWUZGKSP-RCCFBDPRSA-N 413.584 1.062 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(C)(C)C)C(=O)OC)ccc1F 1163077947 MHZJJYQAYWBONW-AWEZNQCLSA-N 400.472 1.998 30 10 HDEE CN(CCN(C)c1cc(C#N)c(Br)cn1)c1ccc(S(N)(=O)=O)cc1 1163390511 OPWOPNYXIIXDAY-UHFFFAOYSA-N 424.324 1.936 30 10 HDEE N#C[C@]12CN(C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)C[C@H]1CS(=O)(=O)C2 1179649853 BIUQEVWJHIDXIS-MGPUTAFESA-N 417.487 1.127 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3nc(-c4ccc(F)cc4)cs3)C2)c(=O)nc1O 1180999741 DUFKBXRHFITQAH-UHFFFAOYSA-N 411.418 1.709 30 10 HDEE CC(=O)[C@@H](Cc1ccccc1)NC(=O)Cn1cc(C#N)c(I)n1 1189592222 OBTVXFXXBGQGGF-CQSZACIVSA-N 422.226 1.676 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1198560290 NNPSALQEAXIDPW-BBRMVZONSA-N 413.471 1.559 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)nn1 1213354722 YYKNAAWHVNNDSL-UHFFFAOYSA-N 405.480 1.017 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1CN(C)C 1225936071 CYSHBPMLVLLUMJ-MLHJIOFPSA-N 422.574 1.126 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)CCS2(=O)=O 1255375832 IYDSEOBVDHPYFB-LEYLNFSBSA-N 419.503 1.817 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1ccnn1 1286362807 JMYWDYKFSUDSBM-UHFFFAOYSA-N 403.288 1.797 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCOC1 1286367921 SNAGEXSGJWXIPM-OAQYLSRUSA-N 400.479 1.963 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)C 1286430997 LSIAVWLJXLBNPU-KRWDZBQOSA-N 407.540 1.120 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CCN(C)C2=O)CC1 1286607487 QJUDKANMNLTTEV-UHFFFAOYSA-N 413.526 1.720 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286787846 KHDRDJLUTNPGLP-BTYIYWSLSA-N 415.469 1.321 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOC[C@H]2C)C1 1286803669 FTQBZCOLVDSYNC-SJLPKXTDSA-N 401.515 1.181 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(C)(=O)=O)C1 1286805558 UZWNFOLWMFAMBO-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2COCCO2)C1 1288974613 GKLARZSCUGEXOE-QRWLVFNGSA-N 411.466 1.471 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1290948521 GTFZWIXSPVDWCZ-CQSZACIVSA-N 405.418 1.267 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CCC[C@@]2(C)NC(=O)NC2=O)cc(OC)c1OC 1292362767 QNNCENPAHYFXOK-HXPMCKFVSA-N 404.423 1.162 30 10 HDEE CCn1cnnc1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1293154494 PFGOOFBCVGCTKV-CHWWFWEZSA-N 402.499 1.744 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1296597148 AUKOENWTUCYQKP-NRFANRHFSA-N 418.542 1.929 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1300485207 UYJRONGVNXAHDP-HUUCEWRRSA-N 421.567 1.117 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1300548817 PRXDLUMYWKVJKU-GDLZYMKVSA-N 407.499 1.713 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1300806009 OAZKZCWUCSJKBS-RDTXWAMCSA-N 422.942 1.722 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1300950052 ZVYJBKFESZLSIC-DGAVXFQQSA-N 422.931 1.293 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301137167 MDACJRLLZYTIJQ-OAHLLOKOSA-N 403.531 1.575 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1301258845 BWNWITGAIUJECY-NRFANRHFSA-N 415.542 1.695 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC[C@@]2(C)C(=O)OCC)s1 1301419566 GFXSNLWSLOUHBX-KBXCAEBGSA-N 414.549 1.993 30 10 HDEE COCC[C@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1301457946 BGFUZUMSRNKAST-OALUTQOASA-N 405.478 1.369 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301506499 LZXSRKIMQFWWRH-SFHVURJKSA-N 423.521 1.157 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@]2(CCOC2)C1 1301588518 GIIQZUMYTAVPIK-LPHOPBHVSA-N 410.540 1.737 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)cc1 1301656598 FVEOCWQEXYUDCB-UHFFFAOYSA-N 415.453 1.478 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1302364034 SHUOATOHFJSSMW-PGRDOPGGSA-N 408.506 1.962 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CSC)C(=O)OCC)ccc2c1=O 1303617455 DBIJZWJVBBGNLF-AWEZNQCLSA-N 407.517 1.896 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1 1303764757 GXBBXHZQRXKNBR-KXBFYZLASA-N 407.492 1.502 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1309506222 FJCUUYQJIOEHTM-LLVKDONJSA-N 417.285 1.668 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)nn1 1309750782 YLTZUWKQMSQJBO-UHFFFAOYSA-N 417.413 1.625 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 1310074392 PIQWDJWDNSVQMA-UHFFFAOYSA-N 424.832 1.976 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(Br)c(F)cc1N1CCOCC1 1310874578 KTIMREPKRWCFJV-LLVKDONJSA-N 400.248 1.931 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)CC1 1311893480 ZSNUCMFVVQDESZ-UHFFFAOYSA-N 401.530 1.864 30 10 HDEE COc1cc(CNC(=O)N(C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)ccc1C#N 1312650576 HXEWVUJGTWHIHU-INIZCTEOSA-N 406.483 1.936 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 1313191812 ZPBWLDDMEQLYLT-AVRDEDQJSA-N 415.490 1.794 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1314729301 NBLXVLJQYQZQIM-UTKZUKDTSA-N 410.478 1.543 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@@](C)(C#N)C1 1315073171 RWMZQEJLQZNGNN-KRWDZBQOSA-N 423.568 1.313 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCc2ccccc2)CCO1 1316537528 CMOMPPVERSNAEY-OALUTQOASA-N 424.505 1.955 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2C[C@](C)(O)C2CC2)c1 1358902717 XCORTNLRHYCRKA-SBUREZEXSA-N 423.517 1.999 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1358917507 SNZAYXPBQFZFPD-FIKGOQFSSA-N 401.511 1.449 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C)C(C)(C)C1 1358941781 XYAPZFWBUKDHON-UHFFFAOYSA-N 411.510 1.949 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)Cc1ccon1 1359299094 UZCNZWPDJRFRFY-UHFFFAOYSA-N 420.433 1.521 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)OC(C)(C)C)C1 1359320786 VPNWJUWDTHVETQ-CABCVRRESA-N 420.514 1.535 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2ccnn2-c2ccc(C#N)cc2)[C@H]1c1cccnc1 1360551936 DQQAENNRZSZLHO-UXHICEINSA-N 402.414 1.676 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2COCCN2CC(F)(F)F)CC1 1440742445 FYIYRGSSBTWQSK-AWEZNQCLSA-N 413.400 1.335 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)c(=O)nc1O 1442854571 FVLTZGNNFPVRMG-UHFFFAOYSA-N 413.409 1.227 30 10 HDEE C=CCC[C@@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OCC 1449694016 JUAWAVRCLQUDSS-QGZVFWFLSA-N 402.495 1.525 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncc(C(F)(F)F)cn2)s1 1449889212 DSGZJXQLMQRJHH-UHFFFAOYSA-N 420.438 1.880 30 10 HDEE C[C@H](CC(=O)N1CC(Nc2ccc(F)cc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1454551217 GEYXJLUYNRUSHO-CYBMUJFWSA-N 416.478 1.966 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1ccc(OC)cc1)c1cc[nH]n1 1455113059 SXHUENCYIBTBMY-QGZVFWFLSA-N 416.434 1.302 30 10 HDEE N#Cc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)c1 1456015196 AWFBGFUXDLQIHS-UHFFFAOYSA-N 419.894 1.719 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)C2)nc1 1456061312 KREMNZMPKFXMTC-RDTXWAMCSA-N 412.475 1.086 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(c2ccc(C#N)cn2)CC1 1460497692 FXCDXWNKLTYEPN-QGZVFWFLSA-N 405.506 1.660 30 10 HDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(F)ccc1OC(F)F 1463014707 CGFDDEMVNYGTQK-UHFFFAOYSA-N 407.414 1.664 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC 1464534706 DHWJKVQCLMISND-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)N1CCOCC1 1464588848 JKPVINXAXOLVPE-HNNXBMFYSA-N 419.544 1.014 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2cc(C)c(C#N)cn2)c1 1466060201 QZMSLDBYOYTFBF-UHFFFAOYSA-N 403.464 1.480 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1=O 1469366786 DDEVRLVWPMRBJX-GOSISDBHSA-N 420.473 1.599 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1469730126 SKNWETMSBVQHFD-OWCLPIDISA-N 407.515 1.692 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470033026 NYSZMQPDPXRLQK-MOPGFXCFSA-N 411.506 1.605 30 10 HDEE N#Cc1cccc(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1Cl 1473091177 JQJWMGXJYHSMKR-AWEZNQCLSA-N 413.952 1.635 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(=O)OC 1475378363 NEZNUAQUHPZUEQ-CYBMUJFWSA-N 400.522 1.296 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2C(F)(F)F)CC1 1477654077 YIHFVBAJNNYZBB-UHFFFAOYSA-N 404.414 1.000 30 10 HDEE Cn1ccnc1C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1479030108 DEQXYJOUBNVXHU-ZWOKBUDYSA-N 413.503 1.284 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1498499829 BIVZYSYTMBCYPJ-AWEZNQCLSA-N 407.482 1.370 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1502619663 YVBXFXHYJKWUTJ-YJYMSZOUSA-N 402.455 1.143 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CCC(CC#N)CC1 1505145910 BCDWEJZAENEEOS-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507526549 PMHRNHALNBRAHP-HOTGVXAUSA-N 417.535 1.693 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507605610 WKYUJFUXXDOAPT-QRWLVFNGSA-N 407.515 1.913 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N(C)C 1507668548 IAXRGKCYZWAVMT-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1507668577 AAIOEEQHAWURBH-INIZCTEOSA-N 418.469 1.970 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCOCC1 1507673646 YCXYCPVDNUDSAC-UHFFFAOYSA-N 409.538 1.325 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1507684797 ITSBQQLEHAVECI-QVKFZJNVSA-N 400.479 1.962 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1507843602 OQIWLOZYFHHPAU-UHFFFAOYSA-N 411.510 1.569 30 10 HDEE CC1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1510320150 YOOKZMFLWRUGPY-WMQDPJMESA-N 413.482 1.134 30 10 HDEE Cc1cn2c(n1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1)CCC2 1511426278 VXVFHSBPTPDNMS-FOIQADDNSA-N 414.489 1.941 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCCO1 1512421086 PZNOARORGPEBFB-OAHLLOKOSA-N 418.523 1.371 30 10 HDEE C[C@H]1CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1512520715 XKTCUNNTYLKQST-HCXYKTFWSA-N 418.542 1.400 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1[C@@H]1C[C@H]1CF 1516593039 WKHNNKFOFGCVFC-IJEWVQPXSA-N 400.462 1.722 30 10 HDEE C#CCN(C(=O)[C@H]1[C@H]2c3cccc(Br)c3C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1530298262 XRABJIMSTCBQJQ-QQDQCYIDSA-N 408.317 1.984 30 10 HDEE C=CCC1(NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CCOCC1 1531380189 QTXKTVJCBIQVPX-HXUWFJFHSA-N 401.463 1.704 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCCS(=O)(=O)C[C@@H]3C3CC3)CC2=O)cc1 1536867966 VNEUZVXQLUANLA-SJLPKXTDSA-N 401.488 1.337 30 10 HDEE C#CCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)[C@@H]1CCS(=O)(=O)C1 1537468912 DZSOIDNDVFAKMR-LLVKDONJSA-N 400.382 1.319 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C(=O)N[C@H](C#N)C2CC2)(C(=O)OC(C)(C)C)C1 1537848829 JQDRQENLJYURGG-VLIAUNLRSA-N 409.483 1.753 30 10 HDEE Cc1nsc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 1538166882 WNSKDAOXIHVDDB-UHFFFAOYSA-N 410.452 1.736 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1539120392 UOGZDVAQZORRTR-ZWKOTPCHSA-N 406.552 1.847 30 10 HDEE C#CCCCn1c(N(C)C[C@H]2CCN(C(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1539139352 DHKWASICALQVJV-NQIIRXRSSA-N 403.527 1.648 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1csc([C@@H](C)OC)n1 1539318780 XWOCBTKZSUTXHS-GDBMZVCRSA-N 412.519 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@](C)(CC)O1 1539323158 DHBYLHLHCKFIBY-DBXWQHBBSA-N 418.563 1.991 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cc(CO)nn1 1539359648 MTGYDIBFLIZUQF-UHFFFAOYSA-N 423.477 1.350 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@](C)(O)c1ccc(F)cc1 1539415951 IMWPWNBNYFZJOK-KKSFZXQISA-N 402.470 1.915 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1539475643 KYHOWQAPIPYWDB-MRXNPFEDSA-N 424.480 1.329 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@]2(OC)CCOC2)CC1 1539480504 AMDWHPGPSREECF-QFIPXVFZSA-N 417.554 1.638 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539507257 VDCVYZFHHWCGSI-QGZVFWFLSA-N 410.503 1.134 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CC1 1539556496 DNVHDCAGCGGRNS-VQIMIIECSA-N 406.552 1.989 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539706716 RJAUOTQKHAFKTC-MDZRGWNJSA-N 409.556 1.956 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1539741485 MTGPPMJLVYQELQ-OAHLLOKOSA-N 404.467 1.899 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1540044289 SBRNDHTUPMQJKP-IBGZPJMESA-N 408.572 1.246 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1540875207 DPHDFPXCJHYSLZ-QGZVFWFLSA-N 419.448 1.647 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540904762 QCILRAYHISTBRD-GASCZTMLSA-N 410.521 1.093 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCn2nc(C)nc2C1 1540907061 KQGAPWGAXTTYGU-UHFFFAOYSA-N 419.555 1.532 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1541799890 OSTBNJKYXJXJFI-ZDUSSCGKSA-N 423.930 1.767 30 10 HDEE CN1CCO[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 1542161669 LYEZTRVBHKRITP-QFGIDJEJSA-N 422.507 1.075 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)c1 1543311931 UTLUBIZXTHQRIW-UHFFFAOYSA-N 412.446 1.488 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1543554961 MSPLFOPCLFNRTP-UHFFFAOYSA-N 408.483 1.713 30 10 HDEE N#C[C@@]1(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C[C@H]2CC[C@H]1C2 1544085411 VBVGRILYURUZPT-RXSFTSLZSA-N 409.446 1.835 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OCC)CC1 1544421213 MSBAMSQQTOGMIJ-ZDUSSCGKSA-N 417.890 1.256 30 10 HDEE C#CCN(CC#N)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1556320007 SFKHRJKMDKGVQT-OAQYLSRUSA-N 403.438 1.871 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(S(=O)(=O)CC)C2)nnc1-c1ccco1 1556601804 AHUHKFBBAQVESK-UHFFFAOYSA-N 410.521 1.852 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1557387352 FMBRWLIJJJVVPH-CYBMUJFWSA-N 406.382 1.473 30 10 HDEE O=C([C@@H]1CC(=O)N(CC(F)(F)F)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1559033067 UMOMJJYGGKEKTB-LLVKDONJSA-N 413.352 1.301 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)c1 1559976582 ZAIRTJDKLKRERZ-HXUWFJFHSA-N 410.474 1.629 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1560068878 HXJXULKZAHWGFB-SJORKVTESA-N 418.567 1.240 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(Br)cn(C)c2c1 1561406544 COCBPTSJVGWQOA-UHFFFAOYSA-N 421.338 1.820 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cnc(Br)cn1 1565175591 MMPTZUMPEBUJMF-LLVKDONJSA-N 417.271 1.321 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1c(C)[nH]c(-c2ccncc2)nc1=O)C(=O)OCC 1587285798 LGDAPIJTBITZMU-OAHLLOKOSA-N 404.854 1.873 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnc2n1CCC2 1587673060 KGIQVXDVEGYDNS-OAHLLOKOSA-N 407.478 1.910 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589366560 HHELPUPJUMKGTD-GFCCVEGCSA-N 412.313 1.872 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1593746349 BSHVJCPFIFHVHE-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(=O)NC)CC1 1593763188 DAKDGCYCQRZUIG-UHFFFAOYSA-N 415.542 1.695 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCc2oncc2C1 1595593409 CUFWKOOBPWTABO-UHFFFAOYSA-N 412.425 1.849 30 10 HDEE C=CC1(CC(=O)NC2CCN(S(=O)(=O)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1598234968 MMNVISYPQMGBOE-UHFFFAOYSA-N 415.556 1.730 30 10 HDEE Cc1cccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)N2CCOCC2)c1 1612234809 CZADAQHPWRMTDK-KRWDZBQOSA-N 412.494 1.620 30 10 HDEE C=CC1(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1616675610 ZGLWTXGADVMQOJ-HNNXBMFYSA-N 416.540 1.462 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC1 1620160303 AKTWNDBFCDXOCP-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(C(=O)OC(C)(C)C)C[C@H]3CC[C@H]2C3)CC1 1626966884 VICGKFJOHFVCRO-HOIFWPIMSA-N 403.523 1.028 30 10 HDEE N#C[C@H](CO)NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1627544439 WKRFDKBLHCIBIM-MRVPVSSYSA-N 404.146 1.663 30 10 HDEE C[C@H](CC(=O)Nc1cncnc1-n1cccn1)/N=C1/NS(=O)(=O)c2ccccc21 1627894517 FPHOAUMNYAMFIB-GFCCVEGCSA-N 411.447 1.118 30 10 HDEE C[C@H]1CCC[C@](C#N)(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 1628602046 GBUMVLWYENABEE-DEYYWGMASA-N 401.529 1.903 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CCN1Cc1ccccc1 1628964872 DIYJGLGTULXQIH-RTWAWAEBSA-N 424.476 1.082 30 10 HDEE CC(C)[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1629410658 HSDDRVUKZGZVBX-IBGZPJMESA-N 409.490 1.580 30 10 HDEE CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 1631232080 UQTJATJPQLEDRX-SFHVURJKSA-N 400.479 1.912 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)c1 1633382621 RWWZEEQYFZIUMO-RDTXWAMCSA-N 406.435 1.337 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CC1(NC(=O)OC(C)(C)C)COC1 1636270277 CCTHUBHPDDJAPX-AWEZNQCLSA-N 416.482 1.069 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@H]2CCCO2)s1 1636308410 DBSNZBWVSNDSAM-LSDHHAIUSA-N 414.549 1.551 30 10 HDEE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1637392727 DLBPWMHUQDOEPU-JMLCCBQJSA-N 405.476 1.169 30 10 HDEE CN(C)C(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1639102984 YCGDOKTUYFVWKX-OAHLLOKOSA-N 420.535 1.222 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccnn1C 1639736334 LJYRWSPPYWKDTL-GOSISDBHSA-N 400.435 1.878 30 10 HDEE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640447009 LJSQMEVXFCFATH-SRVWHDFXSA-N 423.473 1.976 30 10 HDEE COc1cc(C(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)ccc1C#N 1640581622 KREBFQSKVMPUTQ-UHFFFAOYSA-N 400.479 1.944 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1640868672 RKFRDJJVSYLJFK-CABCVRRESA-N 411.499 1.468 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1640898882 JTTNSQBBXGYRME-RZUBCFFCSA-N 419.481 1.960 30 10 HDEE C=CCCSCCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1640990076 AYFAQMQUIVVMOC-UHFFFAOYSA-N 411.593 1.727 30 10 HDEE Cn1c(SCC(=O)Nc2sccc2C#N)nc2cc(S(N)(=O)=O)ccc21 1643469194 NYOWVDHNKZNSHO-UHFFFAOYSA-N 407.502 1.885 30 10 HDEE C[C@@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(C#N)cs1 1648456257 PLUCWQVFGHNQES-ZDUSSCGKSA-N 406.533 1.446 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(OC(F)(F)F)cc2)CC1 1650845980 DJYBJJXWDMBMRB-UHFFFAOYSA-N 419.425 1.130 30 10 HDEE C=CC[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1654925421 YCDFTHHWTVDSAM-MRXNPFEDSA-N 422.503 1.736 30 10 HDEE CN(C)CCN(CC(=O)N(C)C)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 1655975046 DHHNJNFIGDFZBW-UHFFFAOYSA-N 406.430 1.218 30 10 HDEE Cn1ncc2c(N3CCN(C(=O)CSc4cccc(F)c4C#N)CC3)ncnc21 1656592760 BMQPCMMJDFOZFQ-UHFFFAOYSA-N 411.466 1.815 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)CCOCC1 1658308248 OUVHEEFOVVKQLE-LBPRGKRZSA-N 405.446 1.750 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1659321666 DKHWCDIDWSZFFY-GWFKXHKXSA-N 404.507 1.759 30 10 HDEE Cn1ncnc1COc1ccc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)cc1 1664441513 CUNVAIYCBIVHDS-UHFFFAOYSA-N 401.423 1.883 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1673010330 LXFMTLBFAGRQFO-CQSZACIVSA-N 423.311 1.623 30 10 HDEE C#CC1(O)CCN(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 1675830945 GQDYBPPIESMEHX-UHFFFAOYSA-N 422.570 1.879 30 10 HDEE CC#CCN(C)C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1678453614 RFKYGHASBNZGKP-UHFFFAOYSA-N 400.523 1.437 30 10 HDEE C#CCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1682317482 RAIROJMUVUTJLA-AWEZNQCLSA-N 411.243 1.887 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(Cn4cnnc4)CC3)C2=O)cc1 1686341685 OOEOKMGEZJPLCM-IBGZPJMESA-N 407.478 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1689824377 NZGSGLYVUDHBMR-VGSWGCGISA-N 410.522 1.672 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1689824815 XYWRGPHXGKSHRU-GOSISDBHSA-N 424.549 1.755 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC2CC2)CC1 1689913186 JIKSDRPYWDZQOM-OAHLLOKOSA-N 409.556 1.697 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1CC1CN(C(=O)OC(C)(C)C)C1 1689948191 SDQHDBKMLDAOCP-OAHLLOKOSA-N 407.515 1.938 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689955603 NRFPEHCICAHDTL-OAHLLOKOSA-N 403.508 1.305 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689991831 DFAGOCPKOATDLT-MRXNPFEDSA-N 410.540 1.053 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](C)N2CCOCC2)CC1 1690122385 PHMJSKCOZLPWMZ-LJQANCHMSA-N 409.538 1.124 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCC(=O)NC2CCCCC2)CC1 1690133693 QELDPCCWILYZAM-UHFFFAOYSA-N 402.543 1.409 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC[S@@](=O)C(C)(C)C)CC1 1690144381 XFQCFTZPPRHWAO-MUUNZHRXSA-N 405.568 1.669 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)CCC)CC1 1690145979 CDUGZYHPXPLDCH-UWJYYQICSA-N 403.527 1.299 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)C(=O)C1 1690179216 QZUNJLMAKULWBG-UHFFFAOYSA-N 416.576 1.811 30 10 HDEE C=C(Br)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)C1 1690223140 GHBJLNUZBJDZHB-UHFFFAOYSA-N 420.267 1.561 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690358607 FVNPPAHXNAGPGE-KBXCAEBGSA-N 413.906 1.022 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1690604293 RRNAEVLGLYNCMB-XMSQKQJNSA-N 411.506 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1690723890 CQFUCBLWKFMBBH-UHFFFAOYSA-N 424.571 1.388 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1CCCCO1 1694352312 AAYSPBHODBLJDT-SJORKVTESA-N 404.515 1.884 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@@H]1CCOC1 1696676158 IXVACJWRWVFITQ-MOPGFXCFSA-N 424.505 1.933 30 10 HDEE C[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1698450607 JRPNQSYXZGCDSV-HUUCEWRRSA-N 415.498 1.926 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCCS(=O)(=O)C1 1705556603 IPRCHQSBHXZXMM-GOSISDBHSA-N 416.547 1.966 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCO[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1705561684 VTTKIEWYSWQESQ-DLBZAZTESA-N 424.567 1.398 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705569387 GPSIHSPCPFEEEY-AWEZNQCLSA-N 406.537 1.066 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCN(C)C2)CC1 1705636987 FOJJSIJTVPUQDS-NRFANRHFSA-N 414.941 1.420 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC(F)F)CC1 1705647573 GZDBGHIBQPHPED-OAHLLOKOSA-N 411.453 1.377 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@](C)(O)CCOC 1705678874 SKRIIJRGAZOYEJ-PZBISTMVSA-N 406.527 1.782 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(C(N)=O)C1 1705694862 UAVAVZZJCSBGSU-QYWGDWMGSA-N 416.526 1.197 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1705734178 GBKMHJRGCHUPPG-QGZVFWFLSA-N 415.542 1.964 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705883905 ABSRJCMYIVZLBF-XGHQBKJUSA-N 419.526 1.596 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2nccs2)CC1 1705901410 KUBYNVIPXIATKI-AWEZNQCLSA-N 415.523 1.372 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OCC(C)C)CC2)nnc1C(C)(C)C 1705909244 RDYKJJUXOJZXCR-UHFFFAOYSA-N 406.531 1.792 30 10 HDEE Cc1nnc(CCCn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)s1 1707846541 RYHYUYRUBDZISQ-INIZCTEOSA-N 410.507 1.785 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712885512 NKOUUMRVQHZNAO-ZZEZOPTASA-N 420.477 1.930 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC2CC2)C1 1722323868 IDDVNVYIIRALRD-NVXWUHKLSA-N 409.556 1.697 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)(C)C)nc1 1722345650 QKSYYPKFMOVAPV-AWEZNQCLSA-N 420.539 1.578 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722363598 ARHOURIEKFHYAA-FUHWJXTLSA-N 417.535 1.173 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1722377647 GLODGRZVFCCVQR-GOSISDBHSA-N 418.476 1.840 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1722385740 OGOXGTFGBANCOW-OALUTQOASA-N 409.513 1.650 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccccc1)OC 1722385828 PLZYOSVOGROADN-FQEVSTJZSA-N 405.502 1.731 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NCC)CC1 1722536780 HIPRRVFFMVLUHJ-QGZVFWFLSA-N 406.531 1.964 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC(N2CCNC2=O)CC1 1722627548 XUHPBGRQXPZLJC-UHFFFAOYSA-N 413.526 1.870 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ncn(C)n1 1722680902 CTMCFRHGKJNUFL-UHFFFAOYSA-N 403.437 1.963 30 10 HDEE Cc1ccccc1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1724720182 CTUZQBFIBWORBN-ZWKOTPCHSA-N 415.519 1.460 30 10 HDEE CN(C)CCN1CCC(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1729337718 IWHWJUVHUWMPGD-NQIIRXRSSA-N 419.549 1.845 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCCNS(C)(=O)=O 1730256434 PQZSHDPTFYQIKH-AWEZNQCLSA-N 406.512 1.631 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCC(=O)N2)C1 1731181540 HYWDPYGNBSZNMW-AUUYWEPGSA-N 402.405 1.717 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CC3CC3)n1CC(=O)NCC(F)F)C2 1731182168 VQTDZNQJMPMRRN-UHFFFAOYSA-N 417.420 1.147 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C)CC1 1740571271 LTKLDUXJBLHEHZ-KRWDZBQOSA-N 408.510 1.458 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1740671596 KMMDMFYWFBHLRR-OAHLLOKOSA-N 419.507 1.100 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1740714854 MOZKYIOQTSIPQV-MRXNPFEDSA-N 401.511 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(=O)(=O)CC 1740758560 ZEQGTAQWZMXIEN-RDJZCZTQSA-N 422.555 1.531 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C(=O)NC)C1 1740862196 MUHJXLABNQTVPI-INIZCTEOSA-N 416.482 1.313 30 10 HDEE C=CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1740881403 GHGBFEIVZNOROB-HXUWFJFHSA-N 407.515 1.191 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](COC)C1 1740963621 RBUODNYYJXZLSC-SFHVURJKSA-N 424.505 1.894 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1740980954 NDEOFPRJVSZLSJ-MSOLQXFVSA-N 424.567 1.778 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccs2)C1 1740983539 KMKSJFIHWBWNKA-OAHLLOKOSA-N 402.524 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2c2nncn2C)nnc1C(C)(C)C 1740994908 YIBKJKUFBRIGJR-CQSZACIVSA-N 407.544 1.646 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1741992806 CRLNNKKOBORDBS-CVEARBPZSA-N 407.478 1.043 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1742179247 CCFGGCWEEAXRKK-BQOWYSNXSA-N 409.450 1.969 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c(C)c1 1742223022 CUEOADJBWLWDHW-DNVCBOLYSA-N 420.514 1.995 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(OC)c1 1748670874 DEDFHRQOGXWNNU-WBVHZDCISA-N 402.520 1.889 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1748751206 DDTDOAIHWKTKIE-QGZVFWFLSA-N 407.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1C[C@H]1CCC(=O)N1 1748858967 NKCGIDWGZLSDCY-MRXNPFEDSA-N 409.515 1.930 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1749022563 KJUKYFURDHUYSW-SQGPQFPESA-N 424.567 1.753 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749082565 BSMZSNFFBRFOOR-MRXNPFEDSA-N 411.304 1.184 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749189608 MOQYVOHPZRKDAQ-ROUUACIJSA-N 402.543 1.839 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1750379571 GDQHGFNAJHQABP-XHDPSFHLSA-N 404.368 1.293 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2CCOC[C@H]2C1 1760158465 LVTAXARNIAMAGJ-GOSISDBHSA-N 411.506 1.800 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCOC1 1760167984 JUDIQMFNTBYKSW-NRFANRHFSA-N 400.479 1.962 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(F)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1760185670 BAJGEKAZUZBEQJ-INIZCTEOSA-N 406.483 1.663 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCSC1 1760219808 ONQKJMWPVFUHIL-SJORKVTESA-N 406.577 1.786 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1760233972 HLVGKNQLCYPUFA-IBGZPJMESA-N 408.506 1.574 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760358599 XHEVXWXWUXIJKT-IBGZPJMESA-N 423.521 1.968 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1760541363 AVJMGZUIHGSFLS-KSZLIROESA-N 416.526 1.269 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)no1 1761687404 BNZNTSNZPCFPDZ-QGZVFWFLSA-N 412.475 1.785 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)c1 1762024412 HHEWHISDFXBXQD-LJQANCHMSA-N 414.510 1.473 30 10 HDEE C[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1762934986 DKNBTCWHEIYVIR-FZFLATATSA-N 407.478 1.779 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765258425 YNSXZSPLBUGNJI-UFOSLELVSA-N 411.466 1.415 30 10 HDEE CN(C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1766837272 AKTYEQDOSYPMLX-QGZVFWFLSA-N 412.498 1.198 30 10 HDEE NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)ON1C(=O)c2ccccc2C1=O 1772790362 NDRDZKXSZCETPJ-INIZCTEOSA-N 415.446 1.462 30 10 HDEE CCc1nc(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)c2c(n1)c(C)nn2C 1848541477 HQPVTDZXHTXCQZ-UHFFFAOYSA-N 418.505 1.867 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1848882162 AWHGGGNIBYIBML-OAHLLOKOSA-N 422.526 1.719 30 10 HDEE C=CCN(C(=O)Cc1nnc2cc(-c3nc(CC)no3)ccn12)[C@H]1CCN(C)C1=O 1850856427 WZIALZVIVFCDSP-AWEZNQCLSA-N 409.450 1.130 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@H]1c1cccc(F)c1 1851121626 ZYDBJVAWGXRRNB-PKOBYXMFSA-N 408.437 1.356 30 10 HDEE CN1CCN(c2nc(NC(=O)CCn3cnc4ccccc43)c(C#N)cc2C#N)CC1 1851824229 JCRHWRRIPHBSPZ-UHFFFAOYSA-N 414.473 1.955 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1ccc(F)cc1 1852075110 SOKUHDVHBVMILB-UHFFFAOYSA-N 412.512 1.458 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccc(F)cc2F)C(=O)N2CC(F)C2)cc1 1852081444 FUKOFZRFEKTYBS-QGZVFWFLSA-N 423.416 1.906 30 10 HDEE COc1ncc(I)cc1C(=O)NCCN1CCC(C#N)CC1 1852394498 METHLIQDBIGJRM-UHFFFAOYSA-N 414.247 1.660 30 10 HDEE CC(C)Cn1cc(CN(C)C2CCN(CCn3cc(C#N)c(O)nc3=O)CC2)cn1 1852614711 PTRBGYXKVIGNQS-UHFFFAOYSA-N 413.526 1.269 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCCC2)c2ccc(C)nc2)CC1 1853456694 FDCAJZKYBUQHCG-UHFFFAOYSA-N 406.508 1.719 30 10 HDEE NC(=NOCCC(=O)N1CCC(c2nnc3n2CCCCC3)CC1)c1ccncc1 1853547930 SEPVDFOPFCFPMF-UHFFFAOYSA-N 411.510 1.833 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1853629452 PQQRIWSPVXGPRQ-QAPCUYQASA-N 405.445 1.601 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccnc3ncccc23)C1=O 1853805019 WGSWFHQBEULFBZ-MSOLQXFVSA-N 407.474 1.480 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2=O)cc1 1853942608 YOBRNWSAHPUHOJ-UHFFFAOYSA-N 415.446 1.441 30 10 HDEE COc1ccccc1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854368106 FUDGDKVNDMDVRH-GOSISDBHSA-N 406.442 1.856 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CCn4ccnc4)C(=O)C3)C2)cc1 1854406851 XZFBLNPJATYSPT-HXUWFJFHSA-N 406.490 1.090 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854649544 DZTBYGVJECZJFF-JSGCOSHPSA-N 411.430 1.742 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccccc3Br)C(=O)C2)C1 1855018421 ACPZSIPGIIIXPO-CQSZACIVSA-N 405.296 1.721 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855204786 MITKEYUZKQYRSY-PKOBYXMFSA-N 403.523 1.574 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)ccn1 1855921549 YUVORIHZNVMVBK-APWZRJJASA-N 407.478 1.478 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1=O 1856041284 KZSIEBIRVINWKC-IBGZPJMESA-N 410.478 1.623 30 10 HDEE Cc1cnc(CCC(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)o1 1856384312 KFYWZPYMRSETTP-OAHLLOKOSA-N 409.446 1.321 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)C3CC3)C3(CCCC3)C2=O)cc1 1856440079 JDZUXBSOAHQJMF-UHFFFAOYSA-N 415.515 1.967 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)CC4CC(=O)C4)C3=O)CC2)c1 1857008734 HIBWDPMGGJIFHG-IBGZPJMESA-N 410.474 1.541 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3cccc(Cl)n3)C2)CC1 1857055810 IMVGMTRIYWVPGV-ZDUSSCGKSA-N 410.883 1.289 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)c1 1857307777 UJKZYPGTBNYJJX-SFHVURJKSA-N 402.445 1.962 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1 1858298675 VQCVPUBCNMDZGV-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE CC(=O)NCCN1C(=O)C(Nc2cccc(C#N)c2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863239657 IGSYQCRURQSXOC-UHFFFAOYSA-N 419.397 1.795 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCCCN3CCCC3)CC2)CC1=O 1872917556 FAILGECOEGAZKR-IBGZPJMESA-N 404.555 1.252 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1=O 1872917726 JRFMMBQCJVARSG-INIZCTEOSA-N 413.474 1.669 30 10 HDEE COCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccc(O)c(O)c1 1874500944 IBUHBVMKISXYFK-CNHKJKLMSA-N 420.476 1.905 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889549645 GLWIMWLNFSADTD-UHFFFAOYSA-N 423.554 1.555 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1908254033 GDGZXVXBZLBFPP-OCCSQVGLSA-N 418.303 1.970 30 10 HDEE Cn1nc(CNC(=O)C#CBr)c(I)c1Cl 1962240513 PFJPTPCPVRSVQX-UHFFFAOYSA-N 402.417 1.650 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2044241541 FUXOAVHKZJHBNU-IRXDYDNUSA-N 400.460 1.876 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174780770 YASULOYJAWNOQN-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180132723 HEIGMYJQNHZIGI-XHSDSOJGSA-N 400.541 1.917 30 10 HDEE CC1(C)OB(c2nc(NS(=O)(=O)C[C@@H]3CCCO3)ccc2Cl)OC1(C)C 2241160745 YIQKYUDSARNVFS-NSHDSACASA-N 402.709 1.955 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)n1 2255817035 OTMXJEILPJBRAJ-DZFIZOCASA-N 422.338 1.580 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2267356843 OVTFWIQVPBIJKC-VIFPVBQESA-N 408.738 1.243 30 10 HDEE Cc1cc(S(=O)(=O)NCc2cnsn2)sc1B1OC(C)(C)C(C)(C)O1 2267702381 FWNWFYBLIMNHHR-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCCSC2)OC1(C)C 2267708214 GGUAPAWCNAZDKF-LLVKDONJSA-N 404.388 1.757 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCC4(C3)CC3(C4)OCCO3)nc2)OC1(C)C 2282027516 RCPJYKMSJUYAAX-UHFFFAOYSA-N 401.272 1.145 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(N)=O 2282300935 LMJKTSDDHCISDE-NSHDSACASA-N 402.347 1.288 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](F)[C@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320660 LOYVZPZFXAGIAL-NWDGAFQWSA-N 405.322 1.307 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282352235 LQQBQCCXSGIFNU-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CCN1CCC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498939 LLIVKDQTBJDJKH-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H](CO)O1 2282639926 GVUUQISWNCNLRY-MNOVXSKESA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3[C@H]4COC[C@H]34)cc2Cl)OC1(C)C 2282829785 KHORRLUQQCALKY-GHMZBOCLSA-N 419.761 1.871 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCC[C@@H]2N)OC1(C)C 2282831571 ARUQIELUWOUSMF-KBPBESRZSA-N 400.737 1.797 30 10 HDEE CON1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282839450 DLPRDOJLSBQKEO-UHFFFAOYSA-N 402.347 1.223 30 10 HDEE COC[C@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282849824 HHNGAYOXMSTJBY-LBPRGKRZSA-N 405.347 1.377 30 10 HDEE CC1(C)NCC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850679 RSPDABUUFRXQQS-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CN(C)CCC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282852103 LDBADUJAFHYGDQ-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CN1 2282867222 VPQJGJFRWWPUQY-RYUDHWBXSA-N 400.737 1.668 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282868855 UDOYVPBQKLABQG-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@]3(C)C(=O)O)s2)OC1(C)C 2284399992 QLCMUVHCNIXYNY-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CN(C1(C(=O)O)CCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284403296 RNCVCEXNNZYYRP-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE C[C@@H](C=CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284406328 XBDMHDWMBUEQPV-NSHDSACASA-N 401.315 1.496 30 10 HDEE C[C@@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284411422 JZBFBQQYJMZTBG-PWSUYJOCSA-N 401.315 1.674 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCC#CBr)(C(=O)O)C[C@]12CCOC2 2306581099 AKTDURMKLXNNQO-JKSUJKDBSA-N 403.273 1.555 30 10 HDEE COCCc1nnc(S)n1N=Cc1c(C(=O)OC)[nH]c2cc(OC)cc(OC)c12 2321888261 TTXMVRZBOLYGCZ-UHFFFAOYSA-N 419.463 1.923 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccccc1C(=O)O 2331260329 VVJSESYMVOOFMQ-UHFFFAOYSA-N 405.480 1.666 30 10 HDEE CCc1csc(C#C[C@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338636972 CLTKYUBNOQASRJ-KBPBESRZSA-N 400.522 1.452 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342045394 RGIRXDGZJMBALM-BJLQDIEVSA-N 420.531 1.711 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@H]1CCS(=O)(=O)C1 2355849843 FCPPMUHXMLLGHO-KKUMJFAQSA-N 402.488 1.230 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172410 YOLDCKAVHWLKKJ-RBUKOAKNSA-N 401.525 1.923 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367784041 ABFBVIINBPWRIE-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)C1 2367792382 NYFOCYXCJMSMBS-SUMWQHHRSA-N 401.481 1.484 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(CCOC)C(=O)OC(C)(C)C 2367792455 OUMDJZHQFMGTLH-INIZCTEOSA-N 402.557 1.819 30 10 HDEE COC1([C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367799711 CMDFCJBVPIFGCT-LSDHHAIUSA-N 401.525 1.780 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367810945 CNSNFVKTQGRACT-PMPSAXMXSA-N 400.541 1.306 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1 2367818823 NUSDIIQDVAADNW-HZPDHXFCSA-N 400.541 1.163 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C1(C)C 2372807869 ONCZHVWUZMUDPN-ACJLOTCBSA-N 402.513 1.514 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 5623717 ZJTSNCFEYGTZFL-CYBMUJFWSA-N 404.423 2.000 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cc([N+](=O)[O-])ccc2O)n1)NCc1ccco1 58997423 AHQOLOAYEGWWCE-CNHKJKLMSA-N 417.407 1.866 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)NCC#Cc1ccc(N2CCOC2=O)cc1 96349953 NLOAGCZCBYXHKU-UHFFFAOYSA-N 403.394 1.407 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccnc2)c(C)n1 102741949 GFCKTMCLSDYAPA-LAFOYAEKSA-N 423.473 1.242 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 130028413 JVJAKHANXZJRDZ-MRVPVSSYSA-N 408.217 1.770 30 10 HDEE C=CCN1C(=O)N([C@H]2CCCN(Cc3nccn3C)C2=O)C(=O)[C@@H]1Cc1ccccc1 431607935 IWSQHODPSTWBEE-OALUTQOASA-N 421.501 1.973 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)CC1 442074625 RTAQMUOHVIGCIE-UHFFFAOYSA-N 411.384 1.909 30 10 HDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CC)CC1 460553220 XBDZZJJIOJZCMT-UHFFFAOYSA-N 403.556 1.956 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 481452703 TVQCRYWGUZQVQW-RHSMWYFYSA-N 415.519 1.676 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3ccc(=O)c4ccccc43)C2=O)cc1 489267366 KGQBNXWLUHEDJP-IBGZPJMESA-N 400.438 1.790 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2SCc2nc(C)no2)CC1 492374260 GXHKGSDTLIBXLB-UHFFFAOYSA-N 415.519 1.730 30 10 HDEE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 502304418 QWSSJCSTPLLGQY-MRXNPFEDSA-N 401.492 1.893 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)C3CC3)CC2)cc1 505918304 ZHBARUSDSYNOAR-GOSISDBHSA-N 419.503 1.682 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 506906018 VHYAACSSSDAUCI-UHFFFAOYSA-N 418.501 1.284 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 506963735 RUPLIUSWSJKIOH-UHFFFAOYSA-N 417.495 1.855 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](n2ncc3ccccc32)C1 508879738 HIWDGTLMVHFAQG-HOCLYGCPSA-N 415.523 1.875 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1C[C@@H]1CCCO1 514645655 LSVBUTXAQVGSRR-INIZCTEOSA-N 413.474 1.010 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 518958462 PBKZLWUPVXHFGX-GOSISDBHSA-N 420.535 1.205 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3C[C@H]4COC[C@@H](C3)C4=O)c(C#N)c2N)cc1 530983691 CEVGLARFRUPHBB-ALOPSCKCSA-N 421.501 1.925 30 10 HDEE Cc1nn(C)c(C)c1[C@H]1COCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 538118729 KGOAKMGDRJKLSC-RBUKOAKNSA-N 402.543 1.103 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2 559140373 LNLJBLNQBKAVMF-UYAOXDASSA-N 420.579 1.841 30 10 HDEE N#Cc1c(Br)cccc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 565336047 KHXAGTWXMKVIPX-UHFFFAOYSA-N 415.313 1.020 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](c2ccc(F)cc2)O1 568575716 LTFXHICFDPYETG-KUHUBIRLSA-N 417.462 1.964 30 10 HDEE COc1ccc(C(=O)N2CCN(Cc3nc(C#N)cs3)CC2)c(OC)c1OC 572808061 XNWZSWXORDLWTH-UHFFFAOYSA-N 402.476 1.999 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C#N)CC(C)C 588952177 FJQHQQXVQWHICN-INIZCTEOSA-N 422.551 1.689 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C(=O)Nc1sccc1C#N 590248198 BAMLYOPOBSEAOR-OAHLLOKOSA-N 408.443 1.214 30 10 HDEE CN(C)C(=O)CN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(C#N)c1 602265108 DVQFLOPWSMGEDV-UHFFFAOYSA-N 418.457 1.397 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C#N 604000929 IGBFIYSHJIJNRZ-UHFFFAOYSA-N 404.426 1.159 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669803555 BZTQQACERWEQQI-DOTOQJQBSA-N 403.508 1.658 30 10 HDEE N#Cc1ncccc1S(=O)(=O)Nc1ccc(I)cc1N 692136186 DAENVCOLZZPQKT-UHFFFAOYSA-N 400.201 1.941 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ncc(C#CCCO)s1 703985610 XTFFRUQQAWWSJH-UHFFFAOYSA-N 419.484 1.305 30 10 HDEE COc1cc(CNc2ccc(S(N)(=O)=O)cc2C#N)ccc1OCC(=O)N(C)C 742394443 PJQKNEQTYVSFQW-UHFFFAOYSA-N 418.475 1.293 30 10 HDEE C[C@H](CC(=O)Nc1cnn(-c2ncccn2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742697593 ZHGVJGWAJYKAFJ-GFCCVEGCSA-N 411.447 1.118 30 10 HDEE COCCOc1cc2c(cc1C=NNS(=O)(=O)CCc1ccccc1)OCO2 743448483 RBSGZRRUTQAJKX-UHFFFAOYSA-N 406.460 1.937 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCCCC(=O)OCc2ccnc(C#N)c2)cc1 746983489 IHGLIDJTWRXMNS-UHFFFAOYSA-N 401.444 1.958 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(OC2CCC2)c(F)c1 748980547 GWKLREHOOKLNSL-ISLYRVAYSA-N 416.409 1.338 30 10 HDEE CC(C)N1C(=O)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1(C)C 758757494 GLJDYCHJMYHRFJ-GJZGRUSLSA-N 407.515 1.786 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CC=CC2)C1=O 759698032 YVXGQXZIRVVPHX-YQMDHOPXSA-N 415.563 1.711 30 10 HDEE COc1cccc(-c2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n(C)n2)c1 763133711 AJBKJHDLXYRBDU-INIZCTEOSA-N 408.462 1.233 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H]1CCCCS1(=O)=O 772403840 FLZYRFFCZWYZNC-WMLDXEAASA-N 408.476 1.841 30 10 HDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2cncc3ccccc23)c1=O 772899089 SILGIMZMUFNOEM-UHFFFAOYSA-N 422.510 1.134 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@H]1CCS(=O)(=O)C1 774024583 SPTCTSBBWAKOPS-ZOBUZTSGSA-N 406.508 1.349 30 10 HDEE C#CCN(C(=O)NCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 774161361 FHOSKLHYXLBYAU-CQSZACIVSA-N 404.410 1.960 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC1)C2 779346409 WMPBSPXNZCGJHK-ROUUACIJSA-N 406.534 1.663 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@@H]4C[C@@]4(CO)C3)c2)c1 782729929 BVOPMJVFTLLHPI-CYFREDJKSA-N 418.449 1.652 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)CC2(C#N)CCC2)C1 783136853 OZJQNSSTSLJLKQ-UHFFFAOYSA-N 401.485 1.152 30 10 HDEE O=C(Cc1cc(C(F)(F)F)cc(Cl)n1)NCCN/C(O)=C1\N=CC=CC1=O 788661702 OLHBEJISPKAOAU-CCEZHUSRSA-N 402.760 1.939 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(F)c1 789890669 SWESRSGFDASYDR-LNEUUDGLSA-N 403.410 1.637 30 10 HDEE C#CCCNC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 790680528 YZWZXXKSBRXNAV-AWEZNQCLSA-N 414.325 1.925 30 10 HDEE CN(C)c1nccc(NN=C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)n1 794514211 IBRCIVOLWBXFEE-AWEZNQCLSA-N 405.503 1.704 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C(=O)OC)c2ccc(F)cc2)cc1 794689654 BOSQTWPBVXGPHV-HXUWFJFHSA-N 418.446 1.555 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CC[C@H]2C)C1=O 795181761 CGDDCROAJVEKLE-VVYUYRSISA-N 424.548 1.069 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)cc(Br)c1F 798860446 ADUWBNDQWYFSBR-QMMMGPOBSA-N 416.232 1.426 30 10 HDEE C#C[C@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 814339298 JGZZNHRVPKFFHX-SFHVURJKSA-N 405.451 1.868 30 10 HDEE Cc1c2c(c(O)c3c(O)cccc13)C(=O)C1=C(O)C(C(N)=O)=C(O)[C@H](N(C)C)[C@H]1C2 1088692797 WIGMJSZAYZPVGO-APPDUMDISA-N 410.426 1.968 30 10 HDEE CO[C@](C)(C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1127911493 FHALDIRJMMMXGD-IIBYNOLFSA-N 401.463 1.917 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1129628008 PFVIRCRZVRQWIR-MRXNPFEDSA-N 421.475 1.165 30 10 HDEE COc1cc(NC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)c(F)cc1C#N 1131705144 ZYRREQFRTBOEBQ-CQSZACIVSA-N 406.414 1.722 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(I)cc([N+](=O)[O-])c1 1132451671 HRORSKKTVWRZMD-UHFFFAOYSA-N 417.159 1.728 30 10 HDEE N#CC[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(F)(F)F 1134050037 AIZWXIXHPJIEEY-ZDUSSCGKSA-N 409.361 1.421 30 10 HDEE N#C[C@]12CN(C(=O)c3ccnc(-c4ccc(Cl)cc4)n3)C[C@H]1CS(=O)(=O)C2 1134649716 LMVQQLGNDRVDFZ-SCLBCKFNSA-N 402.863 1.807 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1141281781 CRLLWQJFQIOLEE-UHFFFAOYSA-N 414.462 1.899 30 10 HDEE CCN1CCN(CC(C)(C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1142402310 NMVYJWBPRCKUNJ-UHFFFAOYSA-N 410.515 1.269 30 10 HDEE CCO[C@@H]1CN(C(=O)c2nc(O)c(C#N)cc2C)C[C@H]1CNC(=O)OC(C)(C)C 1144952180 IKZONOXJSJWSDK-HUUCEWRRSA-N 404.467 1.969 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)S(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1146271751 UZMZRHJFPJNWKK-ZBFHGGJFSA-N 407.341 1.990 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 1149360123 QXAUNLDVCPEFGL-RCCFBDPRSA-N 414.506 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](O)C1 1151844040 JFRVMGNNCDXKEW-FGTMMUONSA-N 401.463 1.347 30 10 HDEE C#Cc1ccc(C(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)cn1 1154771453 DOXIEWRICQUYJO-KRWDZBQOSA-N 401.463 1.981 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 1158345309 JNWHBTDAJGQACL-KFWWJZLASA-N 402.513 1.685 30 10 HDEE O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cc(Cl)cc(Cl)c1 1161785270 SOPVFQDWOPKGJV-SMDDNHRTSA-N 421.302 1.747 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)ccc1F 1171949306 DBWWGSGGCDVTEM-QGZVFWFLSA-N 409.483 1.406 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)NCc1cccc(C(=O)NC3CC3)c1)C2 1176771347 KDMZOSGBWAMPMK-UHFFFAOYSA-N 409.515 1.769 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1189087861 KJTKXXGTDBGJLB-NSHDSACASA-N 423.260 1.473 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1233929214 ZSWIFIDMFFPWNR-HNNXBMFYSA-N 424.479 1.039 30 10 HDEE C=CCCCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1248410230 VXGBQHAMALAQNN-UHFFFAOYSA-N 409.531 1.953 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc([C@@H](C)OCC)no3)CC2)C1 1248676576 OSDVNOGHCNEUCV-IAGOWNOFSA-N 404.515 1.092 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1286273976 LSNFYCRJZOSJSX-SQWLQELKSA-N 403.508 1.350 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286356356 ONPNGDYPSNKGPG-OAQYLSRUSA-N 424.597 1.769 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCC(F)(F)F)c1 1286359354 ZUCQBDVDDYDHGK-UHFFFAOYSA-N 410.400 1.870 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC(C)(C)C 1286773164 JEEYZHLMDRTWKF-HNNXBMFYSA-N 400.545 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCCC2)C1 1286788003 OFVSBFGFEGWABP-MRXNPFEDSA-N 421.567 1.643 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1286817896 QBQHTEUHQLTQNU-UHFFFAOYSA-N 404.558 1.016 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2)[C@H]1CCS(=O)(=O)C1 1291929326 PUDMTXWNNXDHTB-PMACEKPBSA-N 400.544 1.938 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CNc1ccc(C#N)cn1 1293271877 BARXLLGPGLEXJG-UHFFFAOYSA-N 402.480 1.320 30 10 HDEE CC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1293519205 UITGXAIJSYJUSE-YKHTYXQRSA-N 402.499 1.932 30 10 HDEE CCC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1294065576 DGOIRWKIMUQEDW-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1296295417 SFDRIVGQWXBRRC-UHFFFAOYSA-N 413.526 1.638 30 10 HDEE CC[S@@](=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1297828545 PLCFHANFCFVJMK-WHLCRQNOSA-N 409.556 1.827 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1298737126 NNIIJSVCRLMFLS-UHFFFAOYSA-N 421.549 1.847 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1300486832 CDEXDKIGKNYJKA-INIZCTEOSA-N 403.508 1.327 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(Cl)c(C(=O)OC)n2)cc1 1300550130 LWXWDJWVERJGIY-UHFFFAOYSA-N 421.862 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCCS(C)(=O)=O 1300570702 XDFSOJLEQQEKSU-UHFFFAOYSA-N 400.504 1.851 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CC23CCOCC3)CC1 1300730793 FKANYAYXXMWTNE-SFHVURJKSA-N 415.538 1.597 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CC1 1300806504 XINFXWQBIKBGIX-VQIMIIECSA-N 407.540 1.403 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1300928679 LNKVUAGCRJTRFS-CVEARBPZSA-N 410.588 1.775 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)C1 1300971581 CUUNNOUIFQIAQT-UONOGXRCSA-N 403.574 1.423 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1301273537 SDWBMMWUCOKAPY-CQSZACIVSA-N 421.523 1.604 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1301553292 JLYVCPVVRQZZKJ-MRXNPFEDSA-N 422.555 1.673 30 10 HDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1301569989 LXMWAEAEQLNNEN-GOSISDBHSA-N 423.521 1.854 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccc21 1301656695 HXYCWRBYPKFRME-UHFFFAOYSA-N 403.442 1.544 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCO1 1303535918 XOSUAJLMOAHUJY-QGZVFWFLSA-N 409.450 1.878 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)NCc3cncc(C#N)c3)n(C)c2)C1 1303861078 IRIVITPINMQLME-CQSZACIVSA-N 401.492 1.642 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CCCN2CC(F)F)C1 1312467898 CUPIKGMICTUOOR-BFHYXJOUSA-N 401.458 1.774 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccccc2S(=O)(=O)CC)CC1 1313272615 BJYWSPCLRSEBFO-UHFFFAOYSA-N 405.520 1.194 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)C1=O 1314921489 WEABUWHGAHTHBO-ORAYPTAESA-N 418.860 1.945 30 10 HDEE CO[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1315156170 KZOZESRBWOKMNJ-MRXNPFEDSA-N 424.509 1.142 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(O)CCN(C)C1 1315645502 BOFCAXRWLRDKFW-KKSFZXQISA-N 414.510 1.528 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@H](C)O1 1315929119 BOMYPIDNSRSVPH-WMLDXEAASA-N 408.466 1.234 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1316099806 LUXAJARUSWGBBQ-OAQYLSRUSA-N 412.494 1.798 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccc2F)n1C[C@]1(C)CN(C)C1=O 1316101292 GZCICCWBRVCLFZ-NRFANRHFSA-N 414.485 1.853 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)C1 1326375335 ICTPKXHOWUOIIP-CQSZACIVSA-N 412.464 1.182 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(I)cc1 1349457780 XZESPVOWPZONPS-UHFFFAOYSA-N 423.214 1.975 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1ccco1 1358887511 YMQLKZCSMWZMJQ-ZDUSSCGKSA-N 410.434 1.487 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCCN1CCOCC1 1358947289 XVBPLUVIGSKMPH-UHFFFAOYSA-N 421.505 1.776 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1358952746 WNSWOUYHWIEPFC-UHFFFAOYSA-N 407.400 1.521 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1358975742 CFFWSTIJZKSDNG-MRXNPFEDSA-N 421.427 1.015 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358988477 QOJRQJTYVBGXKF-KRWDZBQOSA-N 415.519 1.591 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1359032023 YKTICATVCWMEIG-UHFFFAOYSA-N 400.433 1.854 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359048875 CUFJSBORPWQLEW-JKSUJKDBSA-N 413.613 1.924 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCCS(C)(=O)=O 1359104412 AWIMTXXQEAXRQE-ZACQAIPSSA-N 412.556 1.982 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccn(CC)c1=O)C1CC1 1359246384 AGLCCRWNFVPIRJ-CQSZACIVSA-N 420.539 1.273 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1359296881 XOOVKVGTHBVEDU-GOSISDBHSA-N 410.522 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359297273 KYYCSIFKYKWGPU-IBGZPJMESA-N 421.505 1.867 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359330472 SPRGQNJOMFVVMD-QAPCUYQASA-N 417.535 1.945 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1361161926 CKRRPEXEEAHUIB-GOSISDBHSA-N 424.505 1.729 30 10 HDEE CN(CC(=O)NCCc1ccc(C#N)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1437622548 STLWEVLSFAJZHT-UHFFFAOYSA-N 402.432 1.446 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCn3c(nnc3C(F)F)C2)s1 1448719797 OVPBOICUEJPESF-UHFFFAOYSA-N 417.463 1.326 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCCc2ccc(C#N)cc2)C1 1453344973 IOTHOCVWJNCBQV-QGZVFWFLSA-N 421.519 1.641 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H](C)O1 1453415479 CPUJJGNXPBLHJB-VQQOQKSQSA-N 421.494 1.562 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)COc2cccc(C#N)c2)C1 1454278214 FIJDODZWZGJGOS-UHFFFAOYSA-N 414.462 1.275 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1 1455868715 UYCOGMWEUIMADE-UHFFFAOYSA-N 419.485 1.306 30 10 HDEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)ncc1C#N 1455950891 VYURVFXZMVOFGI-UHFFFAOYSA-N 413.503 1.840 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1457026251 LOOSULLLAFJKFH-ANGOMJCTSA-N 418.494 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NC[C@@H]3CCCN(CC#N)C3)=NO2)C1 1457669736 JVNUKDFPFRFSKZ-MGPUTAFESA-N 405.499 1.494 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1463111635 LKWKIXQJOMZTFN-UHFFFAOYSA-N 409.508 1.586 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1463611200 XKYUZYWSLARKBO-OTYXRUKQSA-N 421.288 1.947 30 10 HDEE COC(=O)CCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 1466474959 DESCUGDHHMNXCE-QGZVFWFLSA-N 421.538 1.733 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H](N4CCOCC4)C3)CC2=O)cc1Cl 1468181106 HJKMXFVZHPPDOM-FUHWJXTLSA-N 416.909 1.888 30 10 HDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1469648694 KWILVQWQOIMPHU-OAHLLOKOSA-N 422.425 1.776 30 10 HDEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN(CC(F)(F)F)C1 1470588942 NVAPGELGNVSTDO-CQSZACIVSA-N 418.441 1.322 30 10 HDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCN(CCC#N)CC1 1471237198 KBYQSHGWMLPLLQ-KRWDZBQOSA-N 419.507 1.504 30 10 HDEE C[C@H](CC(=O)N[C@H](C1CCC1)[C@H]1CCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1471251280 MFWIDOZTHQCVTN-FRIZHTMISA-N 405.520 1.825 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Cl)cc3Br)C2)c(=O)nc1O 1472370346 FMMCFNVHOJKZGW-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN(CCF)C3)C2=O)cc1 1472589500 QILHTPCWAZMSFL-NVXWUHKLSA-N 401.442 1.313 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 1478769870 HUEQNSQAFUPSLJ-FQEVSTJZSA-N 411.462 1.616 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1 1479222588 PQJZQLNLEPFHDQ-SZMVWBNQSA-N 418.538 1.945 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1494026116 RZCBNYYUPVWANI-OAHLLOKOSA-N 418.523 1.514 30 10 HDEE COC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1504709117 DNXVIFNEYMPQJP-SYWZAZHRSA-N 418.498 1.168 30 10 HDEE CS(=O)(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1505146273 DXWBZFUCIIGZGI-UHFFFAOYSA-N 408.553 1.610 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1507541649 HPTRDHIRHRVNIH-AWEZNQCLSA-N 424.530 1.783 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccco1)N(C)C 1507610156 IMEIZFKNZPFNLP-GOSISDBHSA-N 417.477 1.886 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1507631875 URFMCPMJSUPQFE-SJLPKXTDSA-N 419.551 1.041 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1507689038 GDNZEHUZQURTGY-INIZCTEOSA-N 403.508 1.482 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1507697855 DJFREFPGHZBPPM-UHFFFAOYSA-N 408.437 1.998 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1507914763 OHBOAPYLHKCKPC-UGSOOPFHSA-N 412.560 1.192 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507954829 QGFBIQTWVBPGBJ-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1508018896 BOGJKHMNGNMCFG-HXUWFJFHSA-N 420.510 1.736 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1508095176 MPUDAGXYMMVJPK-UHFFFAOYSA-N 418.542 1.838 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCCn2cc(CO)nn2)C1 1508118118 PNOBECKMQIQMAG-GOSISDBHSA-N 410.482 1.296 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCOC[C@@H]2OC)C1 1508131943 PIZZMSXKNKKDQE-KSZLIROESA-N 419.526 1.233 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCC2)C1 1508147902 NBTOKJFVCHKZJC-ZWKOTPCHSA-N 423.583 1.795 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCNC(=O)c1ccco1 1511885171 GFGVPORFEUNBCT-UHFFFAOYSA-N 406.450 1.203 30 10 HDEE CCN(C)Cc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1515367994 FDFRKHGGFZXWAD-FQEVSTJZSA-N 420.521 1.907 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ncnn1C(C)(C)C 1519276059 HNCFGJPJCQINLB-KUHUBIRLSA-N 420.493 1.839 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OC(=O)CN(C)S(=O)(=O)CC 1521530057 ZAJJACPRJOQQQX-UHFFFAOYSA-N 405.270 1.906 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1525809194 YWBHHPCNPVWRNL-UHFFFAOYSA-N 406.451 1.905 30 10 HDEE C=CCn1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)nn1 1529540106 JUTUGCANWPPGNS-UHFFFAOYSA-N 403.508 1.498 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 1534803054 JREQURCQODTGKL-CQSZACIVSA-N 415.837 1.747 30 10 HDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1535798821 FHPNRABIZFOVEW-LJQANCHMSA-N 406.486 1.759 30 10 HDEE N#C[C@]12CN(C(=O)Cn3nc(C(F)(F)F)c4c3CCCC4)C[C@H]1CS(=O)(=O)C2 1537005448 HZVUDPXQSUODGB-MEDUHNTESA-N 416.425 1.177 30 10 HDEE Cn1cc(CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c(-c2ccc(C#N)cc2)n1 1538247664 MYKIHXDOTPIVCZ-UHFFFAOYSA-N 424.486 1.093 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 1538379901 LAXRZTAYZKILCI-CQSZACIVSA-N 412.533 1.705 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O 1538992209 NGMDGKOZHNUUIE-CQSZACIVSA-N 406.508 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539016800 VQIHGGGWWCKXIQ-CVEARBPZSA-N 414.510 1.495 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(C(C)(C)C)no1)[C@H]1CCS(=O)(=O)C1 1539220096 POIOLGRYMCGFRT-AWEZNQCLSA-N 405.524 1.801 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1C[C@@H]1C 1539408767 CCHKECKFANQFKU-HOTGVXAUSA-N 406.490 1.934 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCO[C@@H]1CCCC[C@H]1C 1539414223 SDVZXXXLSDOQSW-FGTMMUONSA-N 403.527 1.911 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539517524 PGGXEGTZNIEYRZ-OXQOHEQNSA-N 416.551 1.634 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539524939 QWBYQGKQSGFOKE-UHFFFAOYSA-N 416.595 1.341 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540021008 ZACIWESSNGGLNJ-ROUUACIJSA-N 402.543 1.780 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCN(C(C)C)CC1 1540198596 MXPKTQJBTCCCBD-QGZVFWFLSA-N 420.558 1.103 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1540859786 HRPGGTRLVBDURH-OAHLLOKOSA-N 413.478 1.657 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)CC[C@H]2C1 1540868066 QQTHSXUPUGAVKR-HNNXBMFYSA-N 410.478 1.067 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCCO[C@@H](C)C1 1540869672 UGNAOWNXJWYXEE-AWEZNQCLSA-N 423.477 1.511 30 10 HDEE NS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 1541069654 VQNFGGXOVUHSLB-XCVCLJGOSA-N 417.462 1.404 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1541088381 GSEVVYFNASDSMY-OAQYLSRUSA-N 407.478 1.202 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541115950 HJKZLRJHIAUNCV-RDJZCZTQSA-N 422.555 1.707 30 10 HDEE CNC(=O)N1C[C@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375767 VIGPMVBJYWUVIT-OAHLLOKOSA-N 409.412 1.920 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1555185239 GVTSDJCZCGWSDB-RZQQEMMASA-N 404.515 1.598 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCC(=O)N1 1555555900 NPQNGXKFTMSPNG-OAHLLOKOSA-N 413.438 1.498 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H](C)C1 1556310485 ZARBCVFGBMLISI-VZHRSGBHSA-N 420.554 1.687 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2)C(=O)OC 1556375678 PDGWUEFKRPTSIX-CZUORRHYSA-N 422.482 1.496 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)c1 1557016110 AITXYFVQHZAUET-QGZVFWFLSA-N 403.504 1.215 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1558550401 CLVQTXFZWBQTRL-UHFFFAOYSA-N 416.463 1.030 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1c(F)cc(Br)cc1F)C(=O)OC 1561512364 WINWZLFSISTHBT-NSHDSACASA-N 414.224 1.750 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 1561718613 POWSZYXWITVVKG-GFCCVEGCSA-N 403.298 1.769 30 10 HDEE COC(=O)NC1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1561785512 DFDATYFVUMUYKI-UHFFFAOYSA-N 402.270 1.830 30 10 HDEE CN(CCOCCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)cc(C#N)c1 1561815652 OSZMREUBAVVTQG-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c(C#N)cn1CC 1562960234 HDOPELATDPCHRC-UONOGXRCSA-N 405.455 1.314 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccncc1OCCCN(C)C 1564860540 VKWDXALGMLGZRG-UHFFFAOYSA-N 404.511 1.899 30 10 HDEE CC(C)(C)n1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)n1 1585138529 ISKNAZPLOJZHJK-BONVTDFDSA-N 415.313 1.411 30 10 HDEE CON(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C 1587605246 KAOQKAYCAICTPT-QWHCGFSZSA-N 411.480 1.345 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(S(C)(=O)=O)CCC1 1587945490 KYKKOOWWMLTTJP-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1nc(C)no1)[C@H]1CCS(=O)(=O)C1 1588030375 TUYWZAUSFNZKBP-HNNXBMFYSA-N 420.539 1.527 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1588138725 HQIINRUTJOPWOR-HNNXBMFYSA-N 413.503 1.168 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C(=O)OC)c(C)n2C)c1 1588946313 QOBDXKALPYOWIS-UHFFFAOYSA-N 405.476 1.514 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H](C)N1CCOCC1 1589151150 SHUUIYNNVMFWSF-BBTUJRGHSA-N 405.543 1.715 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1589608331 FREGBDAYGIADSX-HXUWFJFHSA-N 420.535 1.906 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@H]2C1 1594628017 YPASCBWTSBFWFT-LSDHHAIUSA-N 409.512 1.177 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCOCC1 1595282368 GGGJMHVLYANIHM-UHFFFAOYSA-N 416.478 1.854 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2ccccc2)C1 1595466330 HSYLWFARFSONDM-SFHVURJKSA-N 410.522 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)C[C@@H]1CCOC1 1595507080 WASTZJULZGCIQD-HNNXBMFYSA-N 415.494 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@@H]1CCOC1 1595804521 AYBGNCPMZYARHT-QGZVFWFLSA-N 408.499 1.834 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1 1597216627 GRXXLELSZXPCPG-UHFFFAOYSA-N 400.501 1.129 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1598358548 XETUIYZSYKFIQO-OAHLLOKOSA-N 416.521 1.731 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(COc4ccc(F)cc4)o3)C2)c(=O)nc1O 1607490615 YQNOZNDIAKIZNP-UHFFFAOYSA-N 410.361 1.829 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@H](C)C4)CC1 1612810000 FSUXALCQNBCDTK-ZDUSSCGKSA-N 419.576 1.714 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1613011385 QZACXSKICKQRQT-LPHOPBHVSA-N 413.478 1.759 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H]1C 1615760889 GNXRRHOBOXFPJO-SJORKVTESA-N 420.525 1.812 30 10 HDEE Cc1cc(C(=O)NC2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)no1 1615924100 QJDLEVZENAHSIA-UHFFFAOYSA-N 406.442 1.477 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1616348343 XPCOMGHHORDUAZ-AYMHQJFGSA-N 418.494 1.832 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(CS(C)(=O)=O)CC1 1618435808 CYEBRIUSEMNZJD-GOSISDBHSA-N 406.487 1.550 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1NC(=O)CCn1cc(C#N)c(O)nc1=O 1622057945 CSFMPFSOPGNTCK-HZPDHXFCSA-N 409.490 1.483 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1622335912 ZXEWBCKPXZOMNG-UHFFFAOYSA-N 422.320 1.816 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1623494133 BCVKUJXSJSOSCA-INIZCTEOSA-N 422.507 1.866 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)CC1 1629051806 WODQJZMQHPXBRN-UHFFFAOYSA-N 422.526 1.064 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(=O)(=O)NC)cc21 1629096045 UXGKNFSMWQBRIN-MRXNPFEDSA-N 421.519 1.791 30 10 HDEE NC(=O)[C@H]1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1629746818 ALNHSPJNNSCFJV-UONOGXRCSA-N 406.508 1.056 30 10 HDEE CN(Cc1cn(C)nn1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1633017551 JMABHCXQARHIFZ-UHFFFAOYSA-N 404.496 1.073 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1634374601 CNRFOTWHUHSBDF-UHFFFAOYSA-N 416.507 1.396 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O 1634635576 IIDSXIDEVZZVLA-OAQYLSRUSA-N 402.495 1.429 30 10 HDEE COC(=O)C1(CCCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1636825071 VXLLLADDPAKEEK-UHFFFAOYSA-N 421.519 1.745 30 10 HDEE Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2)cc1 1637880573 MTXKRSTXBDSBSS-CMKODMSKSA-N 402.520 1.149 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)OC2=O 1638705509 HBNRSUFHAKROFX-HNNXBMFYSA-N 402.451 1.949 30 10 HDEE C=CCOC[C@@H](NC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)C(=O)OC 1639559219 VENWWQKYNHRRHV-WCQYABFASA-N 411.252 1.735 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCN(O)C1=O 1641378576 ACQUZWPPEGPMLG-CABCVRRESA-N 421.450 1.120 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1N)OCC 1642606073 DJHJBIZXPSEUNQ-NRFANRHFSA-N 412.494 1.957 30 10 HDEE CC(C)CCNC(=O)C1CCN(C(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1643725466 BNBSOZAENJOJCS-OAQYLSRUSA-N 414.550 1.924 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3c(F)cccc3F)CC2)nc1 1646077988 WWKSEYDCRLMYTI-UHFFFAOYSA-N 420.441 1.916 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCO[C@](C)(C#N)C1 1654932738 OCTODXBLEFTKJY-OXQOHEQNSA-N 420.535 1.803 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1663315183 CCVHDOQSKQDLBH-SNVBAGLBSA-N 418.313 1.245 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1663859381 PMPVOXPINYPICF-HNNXBMFYSA-N 402.538 1.467 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2c(C)sc3c(C)cccc23)CC1 1667521172 KCIKMGVNQMYBTE-UHFFFAOYSA-N 419.572 1.964 30 10 HDEE CSc1ccccc1OC[C@@H](O)CN(C(=O)NCCn1cnc(C#N)n1)C(C)C 1672542020 GJAFICPWIFWXPO-HNNXBMFYSA-N 418.523 1.732 30 10 HDEE C=CCCC[C@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 1677973909 OWZMKJRWQWPQDA-IBGZPJMESA-N 408.568 1.960 30 10 HDEE C=CCOCCNC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1681795035 ZMTHQSOLRPZGPY-CQSZACIVSA-N 424.464 1.972 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(OCCCC)cc2)CC1 1682160132 CTHSUVPAGIONAM-UHFFFAOYSA-N 422.551 1.203 30 10 HDEE COCC[C@H](COC)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1682896260 BEIZNHIZLFJZAD-GOSISDBHSA-N 412.494 1.831 30 10 HDEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1684058415 WKMKHAYAUJBYLR-IAGOWNOFSA-N 404.577 1.638 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 1684082749 HFUOJAAZSQYAPO-MOPGFXCFSA-N 419.570 1.421 30 10 HDEE C[C@@H](C#N)CN(C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685135002 BHKGTMAWKHTXSY-KBPBESRZSA-N 402.517 1.212 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCC(=O)NCC(=O)NCc1ccccc1 1685212173 YTOOFRBAOBBDBY-UHFFFAOYSA-N 421.501 1.611 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689990195 MQQQOANCNSIIDG-KSZLIROESA-N 423.583 1.139 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1690527918 URDGTUSWLHHRDT-OAHLLOKOSA-N 418.502 1.500 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690667276 XPMDYSYZDLKZLD-AWEZNQCLSA-N 421.523 1.125 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1693268089 NUUGSHNGYVHVJE-QZQOTICOSA-N 422.489 1.540 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1697996322 FQVGFGRGICPUAY-IBGZPJMESA-N 424.505 1.681 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1705560427 GUGCJSDTEKOAFK-YOEHRIQHSA-N 406.483 1.820 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1ccc2c[nH]nc2c1 1705620847 INXNMCOZKHSATQ-UHFFFAOYSA-N 409.494 1.621 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCOC[C@@H]2CCOC2)CC1 1705639336 MATVBPLIMNFCAG-VQTJNVASSA-N 417.554 1.718 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)N(C)C)CC1 1705780841 HZACYXQOIFHKLX-PBHICJAKSA-N 410.588 1.631 30 10 HDEE CC(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1706498279 AQVUISVIVACYLH-UHFFFAOYSA-N 408.510 1.650 30 10 HDEE CO[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1711622136 AVMCVOCIWCUSOP-KDOFPFPSSA-N 404.858 1.528 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1712104062 CIUNUASRMWVYJU-IBGZPJMESA-N 422.489 1.457 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncn(C)n1 1712510498 KHOWWNAGEUICTA-OAHLLOKOSA-N 410.482 1.687 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1722364623 MCAKMEXHBSXLDY-HNAYVOBHSA-N 420.560 1.763 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1722365963 GORPWHZRGQOIIW-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC[C@](C)(CC)O1 1722373401 MTWUSSPECAEXNW-FCEWJHQRSA-N 407.540 1.309 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(F)(F)c2ccccc2)CC1 1722429064 GQDTULCGYSSMIN-UHFFFAOYSA-N 416.476 1.964 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCOc2ccccc21 1722446272 CKVSNVUTCCYGQK-AEFFLSMTSA-N 409.490 1.882 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CCOC1 1722446278 CNCLZTUHDVMISE-HNNXBMFYSA-N 408.462 1.716 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722482364 HNASUVCNIJMWQV-UPJWGTAASA-N 412.288 1.625 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1722638854 PYHAUBPBPFLPOD-HZPDHXFCSA-N 416.551 1.986 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722737442 GVDFTEINQHBFMQ-BEFAXECRSA-N 404.540 1.982 30 10 HDEE C[C@](O)(Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1)c1ccccc1 1723972203 HIRXUNCZQUFBQJ-SFTDATJTSA-N 412.469 1.750 30 10 HDEE CO[C@]1(C)CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1729912663 XRWXWERAMBRXHC-SCLBCKFNSA-N 422.511 1.407 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1729935515 AJBPREWHHIIZSF-UHFFFAOYSA-N 408.466 1.636 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1CC 1740552965 PKOJZUNKOKUKOE-XSLAGTTESA-N 423.583 1.895 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740639388 SRRHFNBFYYEENZ-HUUCEWRRSA-N 408.428 1.186 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)CC1 1740825753 TXXIUMAVFYMOMV-INIZCTEOSA-N 402.524 1.678 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)C(=O)C1 1740961716 XDSCGAXQTXCCRI-UHFFFAOYSA-N 408.506 1.291 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](CCC)C1 1740992453 QLXPYGDNZMFQOD-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccn2)CC1 1741001726 CBJXRDMIKMQXMT-MRXNPFEDSA-N 401.540 1.818 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1741196088 JJCCQFRWEBPHBK-ROUUACIJSA-N 402.543 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1748906579 WFCIXQDWLOXZDE-IAGOWNOFSA-N 410.588 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1Cc1nnc2n1CCC2 1748964513 DSHSQCIHYOZLPM-UHFFFAOYSA-N 405.506 1.735 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H](CCC)OC)CC1 1749009933 XRJWDSQJVURNGS-KRWDZBQOSA-N 411.510 1.516 30 10 HDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749106401 CJEJQETWGQYKNQ-UHFFFAOYSA-N 418.361 1.611 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1749595783 IYVKJTJOJOCBPU-UHFFFAOYSA-N 405.524 1.946 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCc2ccccc21 1749597947 QVHPKWMRCLCIOP-XMSQKQJNSA-N 411.506 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1 1749730533 HPTUTDPBHVVEGN-SFHVURJKSA-N 401.496 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC=C(C)CC1 1749738007 BZMXYQZKLGFNFB-UHFFFAOYSA-N 404.540 1.897 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC(N)=O)n1Cc1ccc(C#N)o1 1750113343 NGXQYAOBGHKRHB-IGCXYCKISA-N 402.455 1.215 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CC 1760138277 VQJSFQOTUJEXJI-IAGOWNOFSA-N 411.572 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCN1CCc2ccccc2C1 1760193426 FMMYDNKWCSWLAP-UHFFFAOYSA-N 418.545 1.938 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N(C)C 1760217158 RBSRDGABZCNEFY-UHFFFAOYSA-N 401.474 1.682 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1760234948 YFTNSDJVOOSHPE-LJQANCHMSA-N 403.490 1.982 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C/C=C\CC)CC1 1760266173 RGEUNZIEBIHQAZ-KOIKXXGWSA-N 415.538 1.862 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2noc(CC)n2)CC1 1760269064 WSSJWJFUVHDTQM-UHFFFAOYSA-N 422.493 1.427 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760278556 YLBNOZJUUSAMBR-CABCVRRESA-N 409.581 1.908 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760358940 CHHIVRWATYUXRI-SFHVURJKSA-N 416.526 1.590 30 10 HDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1)c1ccccc1 1760417837 JGGPZYVFXXCIJS-FGTMMUONSA-N 408.506 1.901 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760451248 CVOZDXDNHJREKS-QUCCMNQESA-N 418.586 1.812 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccco1 1760522535 VVCHFDSRTQSYST-KGLIPLIRSA-N 407.496 1.273 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCCO[C@@H]2CCOC2)c1 1771532405 ZKPHUUWMIVKKRQ-GOSISDBHSA-N 415.519 1.581 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772791355 RRUGVCBTRLBWKC-NRFANRHFSA-N 423.381 1.217 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1850297703 FTSGPBZRGOHWNG-IBGZPJMESA-N 407.511 1.584 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1nccnc1N1CCOCC1 1851718223 TUOUMZIXMNTNAK-LBPRGKRZSA-N 401.858 1.561 30 10 HDEE C#CCSCCNC(=O)[C@@H](Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1 1853274432 OFIJFMCOJVFVGP-LJQANCHMSA-N 419.572 1.292 30 10 HDEE CC(C)(CN1CCN(S(=O)(=O)N2CCCC2)CC1)C(=O)Nc1ccc(C#N)cc1 1853316614 NWARPHQXTLNLHT-UHFFFAOYSA-N 419.551 1.481 30 10 HDEE CN(C)CCCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 1853406132 DARPAIHADCUUEV-UHFFFAOYSA-N 416.503 1.790 30 10 HDEE Cc1nc(N2CCC(N(Cc3cnnn3C)C(=O)CC#N)CC2)cc(C(F)(F)F)n1 1853542850 GAMPHBOBZNTORZ-UHFFFAOYSA-N 422.415 1.844 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)[C@@H]4CCOC4)C3=O)CC2)CC1 1854370698 MGVGMRNKYDUSGU-MOPGFXCFSA-N 416.522 1.015 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 1854443387 DMNLIBKFYFBUMK-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE C=CCCC(=O)O[C@@H]1CON(S(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)C1 1854576636 ZTDXFRBEXXTMFR-HNNXBMFYSA-N 406.460 1.336 30 10 HDEE C[C@H]1CCN(C)c2c(C(=O)N3CCN([C@@H]4CCN(CCC#N)C4)CC3=O)cccc21 1855008010 TULSUTMYLKFVQH-ZWKOTPCHSA-N 409.534 1.902 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccnc1 1855034096 FTZGGTHKAYAZEV-OAHLLOKOSA-N 412.471 1.334 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc3n(n2)CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855165981 CCIRYYXSXLOVPF-OAHLLOKOSA-N 405.458 1.647 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855190749 UDRKLVCUAMOWQK-OAHLLOKOSA-N 405.458 1.647 30 10 HDEE CN(C)C(=O)C1CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1855313592 AEIXODKEUQEWRD-HXUWFJFHSA-N 410.518 1.809 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1 1855552549 GZDOYWVVTWXGMQ-GOSISDBHSA-N 419.547 1.643 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(Cl)c3)C2)CC1 1855890162 TZYSGSGUSOGAAS-HNNXBMFYSA-N 424.892 1.813 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)n2)cc1 1856532810 ZQSSYYGMHHIUIQ-NVXWUHKLSA-N 405.462 1.338 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCN(CCC#N)C2(CCCCC2)C1=O 1856637385 KZGPJLRTEWQXEQ-UHFFFAOYSA-N 403.504 1.991 30 10 HDEE CN(C[C@@H]1COCCO1)[C@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856724068 XVSDYBUHQVHAMV-QAPCUYQASA-N 405.882 1.884 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1=O 1856809469 XVKCSRLVTHOWEH-JSGCOSHPSA-N 414.867 1.222 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1=O 1856885078 FEPOUBIZEASZJM-OAHLLOKOSA-N 421.494 1.743 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccccc1F 1856983216 JIOIKUCJPLGNFK-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3ocnc3c2)C1)[C@@H]1CCN(C)C1=O 1857057683 YFVISZBNDTXGTB-MAUKXSAKSA-N 410.474 1.925 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cn2cnc3ccccc32)C1)[C@@H]1CCN(C)C1=O 1857263492 HFNCLNFFRRCGOP-QFBILLFUSA-N 409.490 1.130 30 10 HDEE C[C@@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CCS1(=O)=O 1857340580 ZZYFCKLJZKAFCU-WBVHZDCISA-N 403.504 1.446 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)cc2OC)cc1 1870098703 RSTQERGNMJJWNF-UHFFFAOYSA-N 415.431 1.966 30 10 HDEE C=CCn1cc(OCC(=O)N(C)C[C@H]2CCCO2)c(=O)cc1CN1CCC(O)CC1 1870547731 LIBKXMOXTJDNQZ-LJQANCHMSA-N 419.522 1.007 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccc(O)cc2O)CC1=O 1874338976 DSOKGKVIMVNIID-VDLQQMNMSA-N 405.480 1.380 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@](=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882591523 KAXRHIZZXKREQI-GUNSETOZSA-N 422.503 1.423 30 10 HDEE CN(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010396825 JOIXTIRSENAHDJ-INIZCTEOSA-N 420.315 1.834 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)c1cccnc1C#N)NC(=O)OC(C)(C)C 2118165688 DPMIJVJOAISQJR-NDHGSNPTSA-N 402.498 1.653 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2118168637 TUVATIDBYKFHKH-QZTJIDSGSA-N 415.471 1.920 30 10 HDEE C=CC[C@@H](NC(=O)NCc1nn(C)c(Cl)c1I)C(=O)O 2174386502 RJHKNLUCAKNSSK-ZCFIWIBFSA-N 412.615 1.507 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@@H]1NS(=O)(=O)N1CCC[C@H](C#N)C1 2174788475 FTVGWBMMCOXJAD-BARDWOONSA-N 402.517 1.127 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H](CO)C1 2243394145 CTXJZAJLNKAXBZ-HUUCEWRRSA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243483988 WAMVPMBCMRYFOB-AWEZNQCLSA-N 407.320 1.866 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247807267 VZMNSIDBQZJHED-ZDUSSCGKSA-N 418.303 1.614 30 10 HDEE Cc1c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247822586 GRTYUSRZXOTYNR-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247860740 AITDCJNYHXBPEC-ZIAGYGMSSA-N 422.287 1.601 30 10 HDEE C[C@@]1(C#N)CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258156846 PLIHOEMRIHPDJZ-YJBOKZPZSA-N 409.464 1.321 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2258161457 CBRDKGLHVAPUMS-DLBZAZTESA-N 408.476 1.176 30 10 HDEE C#CCN(C1CCCCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270529292 FBCLNHANYVIAIK-GOSISDBHSA-N 422.503 1.964 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CNCCCO3)sc2Cl)OC1(C)C 2281968195 BXUCAFMUZWJOPC-LLVKDONJSA-N 400.737 1.809 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCCS(=O)(=O)CC3)sc2Cl)OC1(C)C 2281976343 ABHPZNBRPDIPLQ-UHFFFAOYSA-N 419.761 1.961 30 10 HDEE C[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308812 WQXUXWQDPAQPOH-PWSUYJOCSA-N 420.793 1.977 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)C(F)(F)F 2282312983 DWDNSWGTBVYOOG-JTQLQIEISA-N 415.264 1.557 30 10 HDEE CCOC(=O)CN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282317253 OKNSLEQYRHKYRN-UHFFFAOYSA-N 403.331 1.539 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)N(C)C 2282321795 BPFWVHNQTBAFNO-RUZDIDTESA-N 402.347 1.557 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCC[C@@H]2O)OC1(C)C 2282338387 QXRNPCZYNHQTGE-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C 2282338595 SEHZVVSBOMWYRK-AWEZNQCLSA-N 402.391 1.912 30 10 HDEE CO[C@H]1COCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282419259 NYXNMOGBTBHVIE-OLZOCXBDSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)NCC2CC3(C2)OCCO3)OC1(C)C 2282494242 XHSXTQJSPSEXRV-UHFFFAOYSA-N 423.340 1.558 30 10 HDEE COC[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501667 ACDOIJZNUXTTAI-KBPBESRZSA-N 401.359 1.749 30 10 HDEE CC[C@@](C)(CN)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506492 STQUGHHBWFGQAZ-KRWDZBQOSA-N 402.391 1.936 30 10 HDEE CCOC1(CO)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282645091 HAJTYKBSRFVKJR-UHFFFAOYSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2(CN)CC2)OC1(C)C 2282831809 FARGSYPDERKUKL-UHFFFAOYSA-N 400.737 1.656 30 10 HDEE CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282838936 WNMHDMHKEDULJC-CQSZACIVSA-N 403.737 1.934 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CN 2282839983 BXMXMOYGQUVBGX-WDEREUQCSA-N 420.793 1.916 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282846861 PZQXWZYXVYOGNW-RUZDIDTESA-N 401.359 1.423 30 10 HDEE CCN[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282848374 MUBRTLNYZISHHA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284395782 PLEHFEFRXIPCRC-WDEREUQCSA-N 401.315 1.531 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284396945 ZSABJBUJHUUPDW-SECBINFHSA-N 403.331 1.806 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(=O)O)C1CC1 2284398724 BCRBKUIAXDVIJE-ZDUSSCGKSA-N 401.315 1.497 30 10 HDEE Cc1cc(S(=O)(=O)NS(=O)(=O)C2CC2)ccc1B1OC(C)(C)C(C)(C)O1 2284413175 HVECLKDVTBKHDM-UHFFFAOYSA-N 401.315 1.065 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N=[S@@](C)(=O)CCC(=O)O 2284472503 HNIAGWVZGFLOAK-SANMLTNESA-N 402.303 1.463 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2304809449 MJDQAGPYMYFOAW-GJZGRUSLSA-N 423.294 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@](C)(NCC#CBr)C(=O)O 2305987355 AFYTZYIETUSDMX-MLGOLLRUSA-N 405.289 1.801 30 10 HDEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C1CC(S(C)(=O)=O)C1 2362576970 PUDDUXZHCXDNOZ-UHFFFAOYSA-N 400.331 1.090 30 10 HDEE Cn1cc([C@@H](C#Cc2nccs2)OCC(=O)O)c(I)n1 2363660886 QIWUEEKKYXNUHF-SECBINFHSA-N 403.201 1.675 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2363924515 ZZINZUAPHLKPMM-LSDHHAIUSA-N 415.581 1.973 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2365203243 HWIPKAMWOQUZPC-OWCLPIDISA-N 402.557 1.552 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2365212290 QZESGEJSUIOIKU-DOXZYTNZSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789757 FFEHEOMTAZRQCD-DYVFJYSZSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)NCC[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367795521 FGILEJQACMTPJR-KRWDZBQOSA-N 403.497 1.732 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCC[C@H](NC(=O)OC(C)(C)C)C1 2367814651 BQOTYNBFSRZHMU-KHYOSLBOSA-N 400.541 1.353 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NC(C)C)n[nH]2)cc(OC)c1OC 20909525 XHDVJEZUYADMSW-QGMBQPNBSA-N 408.484 1.893 30 10 HDEE O=C(C[C@H]1S/C(=N/N=C2\CSC(=O)N2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39886286 LDKVMQZCNUUQDG-SECBINFHSA-N 408.421 1.281 30 10 HDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(C(=O)OC)ccc21 44360517 PPFSSTMPCZXHIC-HLAUDOPJSA-N 423.516 1.527 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 130064004 AITKUFMGMQWXEH-MRVPVSSYSA-N 408.217 1.912 30 10 HDEE CC(C)N(CC1CCN(CCN)CC1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208092187 YRDIGUCCXPYXTQ-UHFFFAOYSA-N 403.380 1.661 30 10 HDEE C[C@H](C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1)n1cnc(C#N)n1 409647366 IYNQVOMTYNLRJM-CQSZACIVSA-N 410.459 1.828 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1C#N 427751151 ARGDRKIVSHXIAF-UHFFFAOYSA-N 414.896 1.966 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(C(C)(C)C(=O)OC)CC1 429558320 FABBEODLNJKPHE-UHFFFAOYSA-N 404.467 1.685 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC1 431669573 IFLAUPCYVJEEBE-FPOVZHCZSA-N 413.566 1.669 30 10 HDEE CN(C)C1CCN(C(=O)Cc2noc(-c3ccc(-n4ncc(C#N)c4N)cc3)n2)CC1 445614785 CRQMTSVTOMXBSP-UHFFFAOYSA-N 420.477 1.471 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCc2ccc(N3CCOCC3)nc2)cn1 461397364 ATPVJRBSOYUOMT-UHFFFAOYSA-N 404.434 1.692 30 10 HDEE N#CCCN(CCN1CCOCC1)Cc1nc(O)c2cnn(-c3ccccc3)c2n1 471231311 FWXFUTZPKCYUJO-UHFFFAOYSA-N 407.478 1.569 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 473388772 MCRMJZHLLAGKHN-OAHLLOKOSA-N 422.445 1.604 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cc3)C2=O)C(C)(C)O1 480425351 LWPCXHMVWYOSKS-LJQANCHMSA-N 405.476 1.600 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 481827724 CURDHHGEBFKLID-ZDUSSCGKSA-N 409.402 1.866 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 488269567 WEURSSBTBFQRPC-KBPBESRZSA-N 413.430 1.916 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCc1cccc2cccnc12 489863105 QXSSYKHTTJLKND-KRWDZBQOSA-N 415.501 1.766 30 10 HDEE C=CCn1c(SCC(=O)N(C)[C@@H](COC)C(N)=O)nnc1-c1ccc(Cl)cc1 500313527 HFEQUNFNYNTBMU-AWEZNQCLSA-N 423.926 1.835 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 506940770 WPIXQAJFQHYOSI-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE COc1ccccc1OCc1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C 508089201 RBWCPMRQXMMJGT-UHFFFAOYSA-N 405.462 1.996 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 508108360 CEJNRAHLEVXNEK-INIZCTEOSA-N 406.508 1.535 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)cn1 508444283 HAIDZTCNFMPZTL-YLJYHZDGSA-N 421.505 1.755 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C)CC1 508546969 ZEXXDJHRPGDGQJ-MRXNPFEDSA-N 407.522 1.923 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508750391 YYEHQCCUOCQTSP-AWEZNQCLSA-N 420.495 1.805 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCN(Cc2nccn2C(F)F)CC1 520998661 XGIXOOJALZMSCM-UHFFFAOYSA-N 405.405 1.882 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccccc3C)CCOCC2)CC1 524516989 WFLUXGCLRGXTOJ-UHFFFAOYSA-N 414.550 1.673 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc3c(c2)NC(=O)CO3)cc1 536129960 UKHAKIRRMNBWER-OAHLLOKOSA-N 409.427 1.438 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 558457179 VBPDASZOTIKELP-UHFFFAOYSA-N 405.524 1.847 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558586631 BNGLZGPOQROFAX-CVEARBPZSA-N 405.524 1.366 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 558995337 XQWUXXNSWKESJJ-IAGOWNOFSA-N 411.510 1.658 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@H](CNC(=O)CC(F)(F)F)C2)nc1 569150657 XKNLBDFENPSKLE-CQSZACIVSA-N 418.441 1.508 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ncc(-c3ccccc3)cn2)cc1 570766539 MYVRQQVJDBVZPE-UHFFFAOYSA-N 407.455 1.610 30 10 HDEE C=CCNC(=O)CSc1nc(=O)n(CCCN2CCOCC2)c2c1CCCC2 585169141 SWTBTWAMDWUETF-UHFFFAOYSA-N 406.552 1.239 30 10 HDEE CCOC(=O)N1CCN(C(=O)N2CCC[C@H](NC(=O)c3cccc(C#N)c3)C2)CC1 585981925 DYGJXNIHDHTQPS-SFHVURJKSA-N 413.478 1.647 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 619518008 WSKNAGUOZKPPCU-UHFFFAOYSA-N 411.466 1.568 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 669753066 IHYGIVBSQLRBMU-WBVHZDCISA-N 418.519 1.885 30 10 HDEE C[C@@H](C#N)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703980623 CMOVPDILMGKMDD-HNNXBMFYSA-N 418.519 1.168 30 10 HDEE C#CCN(CC(=O)NCc1ccc(F)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 731213390 AVXJCJCYPSLWKW-CQSZACIVSA-N 406.401 1.583 30 10 HDEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665197 VMNQPJATKBZSBJ-IEBWSBKVSA-N 416.547 1.502 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CC(=O)N2C)cc1 734919626 MNDBDCCEFKQDIQ-LDQXTDLNSA-N 401.463 1.812 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)Cc2ccccc2F)CC1 742397105 LIZXWHVXISYTNP-UHFFFAOYSA-N 402.451 1.236 30 10 HDEE CCOCCOCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1C 746037822 LHVFLGYUOZBUCF-LJQANCHMSA-N 414.506 1.685 30 10 HDEE C[C@@H](CC#N)NC(=O)[C@]1(CC(=O)N[C@H](C)CC#N)CCN(C(=O)OC(C)(C)C)C1 746186013 UZCONXZUFWJKSF-SIFCLUCFSA-N 405.499 1.840 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1C#N 747495965 VVWPEYJVCNLUPG-UHFFFAOYSA-N 421.862 1.879 30 10 HDEE COC(=O)/C(C)=C/COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 748164309 UAIJQDCJDIPCBO-NTEUORMPSA-N 406.460 1.621 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614402 LQTCEWNNVFXFSN-CABCVRRESA-N 409.508 1.592 30 10 HDEE C#CCNC(=O)COC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 756749200 LKRWYJFLGITJQW-LLVKDONJSA-N 402.266 1.152 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](CNC(=O)OC(C)(C)C)C1 756764224 CRBXICCQQGMVAC-CQSZACIVSA-N 412.487 1.527 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 760387656 DRBLDTVBCQUHAX-KFWWJZLASA-N 409.508 1.470 30 10 HDEE CN(C)C(=O)Cn1c(=C(C#N)C#N)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 769877631 LFFLQXNDOZZREJ-UHFFFAOYSA-N 400.529 1.384 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 770217857 MSHFFGRMYIQNAO-UHFFFAOYSA-N 400.483 1.748 30 10 HDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 780030091 VYTGRKINLHVDGF-UHFFFAOYSA-N 415.943 1.599 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660998 LPGPSJPJGGGJMD-UHFFFAOYSA-N 407.495 1.436 30 10 HDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2c(Br)cnn2C)c1=O 782677209 SBBRWZXXRADIFX-UHFFFAOYSA-N 424.349 1.186 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@](C)(C#N)C2)c(NS(=O)(=O)C(F)F)c1 784422181 UQFXRVGMZJZQLG-HNNXBMFYSA-N 423.463 1.974 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786683527 NJPNXZJZPFUIBQ-MRXNPFEDSA-N 423.560 1.806 30 10 HDEE COCC(=O)Nc1cccc(CNC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 787093867 OJSZMIOCBUPTTG-UHFFFAOYSA-N 410.430 1.084 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(COC)(C(=O)OCC)CC2)cc1 794336298 FWDZVPZVNXAKDY-UHFFFAOYSA-N 422.503 1.030 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)n1cnc(C#N)n1 798855867 VMONJKZMFCHUNO-AWEZNQCLSA-N 411.443 1.795 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@H](C(F)F)C3)CC2)cc1 801009669 RJDAWFUDJYPLNJ-INIZCTEOSA-N 413.446 1.451 30 10 HDEE COC(=O)c1c(F)ccc(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c1F 802806163 HYYMHNXYXLFBNZ-SNVBAGLBSA-N 424.381 1.895 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c1 803849708 QFJVGSCZMJWXIO-AWEZNQCLSA-N 419.484 1.387 30 10 HDEE C#CCN(c1nnc(-c2cccc(Br)c2)n1C)[C@@H]1CCS(=O)(=O)C1 809832854 TVTJIRVVVMLXPU-CQSZACIVSA-N 409.309 1.871 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1n[nH]c2ccc(I)cc12 816757849 CEDGUNKVGZIZCJ-JTQLQIEISA-N 400.176 1.278 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@@H]3CCOC3=O)CC2)cc1 1133137684 WMOBLQXJGBRMKJ-QGZVFWFLSA-N 419.503 1.418 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@]4(CCOC4=O)C3)CC2)cc1 1135253735 AKOAYMDBCRUUID-HXUWFJFHSA-N 417.487 1.125 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1136758645 CXRBZAOFRUWXLW-MRXNPFEDSA-N 416.478 1.632 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)Cc3ccc(S(N)(=O)=O)cc3)CC2)c1 1144280838 GQJIFYUEZKWQBX-UHFFFAOYSA-N 412.515 1.529 30 10 HDEE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1151212393 ICZOBOMYGAGOGL-HUUCEWRRSA-N 405.296 1.788 30 10 HDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1 1152009196 WFAYDLSHJCNVMY-VEGAHXMMSA-N 412.490 1.229 30 10 HDEE Cn1cc([C@@H]2C[S@@](=O)CCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1154157542 CZGVZUYSRBFIOZ-LXLLPEIISA-N 423.539 1.639 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1158733835 PSARWRXTDBQYGG-CABCVRRESA-N 417.325 1.967 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)CC1CCCCC1 1162444652 TUWGSWNRGNNNHY-INIZCTEOSA-N 407.536 1.953 30 10 HDEE O=C(c1ccnc(O[C@@H]2CCOC2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273848 YBMSVNOZPQEHFR-OAHLLOKOSA-N 411.414 1.767 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1201299558 WGLXOHAJELKRIS-UHFFFAOYSA-N 414.315 1.984 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)C1CCOCC1 1227043993 UWQFWJGIIHEPFI-OAHLLOKOSA-N 417.890 1.485 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC[C@](CO)(Cc2ccc(F)cc2)C1 1261222292 DDNGCDJASFPXHY-CGLJGAHCSA-N 401.438 1.496 30 10 HDEE N#C[C@@H]1COCCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1265143775 GRZLGTJHHYFISX-CYBMUJFWSA-N 401.282 1.754 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(Br)ncc3ccccc23)C1=O 1279130408 OWVVOSHCYSDSRK-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1286275923 VHSBXFVDDKSOLL-GFCCVEGCSA-N 418.303 1.581 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286391925 JVNQYPXDXDUFHV-ZWKOTPCHSA-N 406.552 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CC1 1286430488 HZSMQDFYTVNCNW-SFHVURJKSA-N 404.536 1.460 30 10 HDEE C#CCN(CC)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286450038 LYQYFWWEVCAQIX-NRFANRHFSA-N 416.547 1.463 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1286595545 BGFHNKCLHFIGTH-UHFFFAOYSA-N 400.462 1.232 30 10 HDEE C=C(C)Cn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286599492 VYOBICGFNURVBO-OAQYLSRUSA-N 413.526 1.931 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1288539077 RARWJABUTOPVGJ-QRFQSNJMSA-N 424.505 1.855 30 10 HDEE C[C@@H]1C[C@@H]1n1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1291040360 OYZOSSOROOLYJR-FXUDXRNXSA-N 418.498 1.896 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](C)NC(=O)OC(C)(C)C 1298310651 UYRDDXNIKDVBIN-KBPBESRZSA-N 409.508 1.891 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@](F)(C#N)C2)n1 1298909061 YKZKAYQXJSVNMP-KRWDZBQOSA-N 403.372 1.161 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)OC(C)(C)C 1300553976 WUMHQVMJJMOJNG-UHFFFAOYSA-N 402.499 1.404 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCS(=O)(=O)C(C)(C)C)CC1 1300726966 SPQQATBOAVUFNW-UHFFFAOYSA-N 409.556 1.020 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301258443 SJEZTQFLTCWHDG-ZWKOTPCHSA-N 419.526 1.202 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1301262306 SQRFGGHTVBYQLT-IKGGRYGDSA-N 407.515 1.262 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1301278803 RREDNPNEYJZTFP-UHFFFAOYSA-N 401.496 1.631 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCOCC1)C1CC1 1301333744 AHAGLQFMDDFMOJ-LNLFQRSKSA-N 405.543 1.878 30 10 HDEE N#CCCN1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 1302596339 IJIGDZHRSWDLNA-RTBURBONSA-N 407.474 1.636 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 1307978440 OZXOTIGGJUFHIN-QHCPKHFHSA-N 422.577 1.978 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C1CCOCC1 1309701295 JGPIFJICJUASRT-HNNXBMFYSA-N 404.410 1.685 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1314305259 XANLOKNEWVPZEJ-WBOSRHFRSA-N 412.494 1.218 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCN2CCCC2)cc1 1316533146 FLRLHPSPMQEXEH-UHFFFAOYSA-N 423.521 1.541 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)C1 1320904073 CSZYDTPIJPURBK-INIZCTEOSA-N 403.522 1.466 30 10 HDEE CC(C)NC(=O)CN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1355755595 ZWBPRQKXJVYNCC-QGZVFWFLSA-N 423.558 1.632 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1cccnc1N1CCOCC1 1358975043 AAQUIQNSKKAGEL-UHFFFAOYSA-N 401.474 1.626 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1359014214 AQPSNGPJFPGYGU-HUUCEWRRSA-N 401.433 1.852 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2nccs2)CC1 1359037963 FRQDPYJLTMRRTA-UHFFFAOYSA-N 410.551 1.594 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCN(C(C)=O)CC2)CC1 1359177618 VBFIAUMFBCPFFP-UHFFFAOYSA-N 412.542 1.245 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1359271084 KQAROLKIYGKEON-ZWKOTPCHSA-N 402.543 1.909 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCC(=O)N(C)C)CCOC1 1360338873 MDSIKTWTIMJKML-NRFANRHFSA-N 418.542 1.927 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1436180847 AHNQGDVDFSAUQV-UHFFFAOYSA-N 418.450 1.883 30 10 HDEE Cc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCOCC2)cc1C 1439615149 MYWLPCLBFRFBOZ-ICSRJNTNSA-N 402.516 1.748 30 10 HDEE C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(OCc2ccccn2)c1 1441886629 DLWMZCUPUGARPV-AWEZNQCLSA-N 405.414 1.672 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCCS(=O)(=O)C3)C2)C1 1444082091 OFFBUAILUQKNNK-QXGUJMOYSA-N 411.524 1.467 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 1450523315 GJOUAFMPAMMLOB-AWEZNQCLSA-N 417.443 1.818 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)C2)C1 1452869113 ZPZHZCFYVIDHAH-PEYOHINISA-N 418.494 1.730 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(CF)CCOCC3)C2=O)cc1 1460199677 XZDNHYQEDSQJED-MRXNPFEDSA-N 402.426 1.646 30 10 HDEE CC(C)(C)N1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1461158314 ABJMVCQMDJQQDZ-JKSUJKDBSA-N 411.462 1.279 30 10 HDEE CCOc1ccc(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)nn1 1464136005 FMWNXCBJPYYETH-UHFFFAOYSA-N 409.418 1.536 30 10 HDEE C=CC(=O)N(C)CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1464340145 JTTCGWFKPMEULG-FXBPSFAMSA-N 406.508 1.863 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccnc4ccccc34)CC2)C1=O 1468226592 IPPFZOACKNBINX-UHFFFAOYSA-N 406.442 1.918 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H](Cn4ccnn4)C3)CC2=O)cc1Cl 1470304187 SKKHBADOUYPCSL-GDBMZVCRSA-N 414.853 1.084 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 1471451445 SOUUMOJMWFJNRE-UHFFFAOYSA-N 412.924 1.622 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCCN(CCF)C3)C2=O)cc1 1472589501 QILHTPCWAZMSFL-RDJZCZTQSA-N 401.442 1.313 30 10 HDEE N#Cc1ncc(Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)nc1C#N 1472709005 AMMFVSCQKAEVFZ-UHFFFAOYSA-N 419.417 1.638 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(Cc3nc(N)c4ccccc4n3)CC2)CCOCC1 1473266088 RHSWDDMAOHNGAQ-KRWDZBQOSA-N 410.522 1.401 30 10 HDEE COCCNC(=O)c1c(NC(=O)CN2CCO[C@@](C)(C#N)C2)sc2c1CCCC2 1473837804 AFKORYCXTKWBTE-FQEVSTJZSA-N 420.535 1.556 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OCC)C1 1476204451 HSNPYJOJVJXQTH-OAHLLOKOSA-N 408.524 1.555 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CCOC[C@@H]2CCCO2)CC1 1483985591 CMPFHIFLRVHQIC-NALHQMNBSA-N 402.535 1.532 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)CCC(F)F)C1 1503680467 QGNFBUDBGDMZRF-HXUWFJFHSA-N 420.464 1.887 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1505047215 LYSZBDHMWLNBIA-GOSISDBHSA-N 401.467 1.331 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN1CCN(C(C)=O)CC1 1507521499 NRMFFGHVUNAGEC-QGZVFWFLSA-N 410.522 1.576 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCC(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1507623253 QPGPILSNWTUHDT-MRXNPFEDSA-N 407.540 1.087 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1507625801 AXHSLAYQWUHZNN-MRXNPFEDSA-N 422.507 1.136 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1507669938 VOGBLOVHSCKXSU-MRXNPFEDSA-N 415.519 1.550 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nncn1C 1507708500 KCGIXWQSMCQHKL-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCOCC)CC1 1507723787 UVJSPUAEYCDGSG-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507750802 FLMDAKPGDKPDNA-IAGOWNOFSA-N 405.568 1.842 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCOCCOC 1507760804 BKQJWPUQQIQTAQ-OAQYLSRUSA-N 412.494 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1507800759 YBIZOUZDHVMEEX-FAJBIJEISA-N 403.527 1.820 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC(=O)N2)CC1 1507877312 HRYHZDOBUKCCTQ-MRXNPFEDSA-N 415.519 1.784 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCCO[C@H](C)C1 1508139170 DNGIQTQUQGITQT-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1508840977 FQJNAZURHPZHFQ-IBGZPJMESA-N 403.508 1.459 30 10 HDEE CN1CCC(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 1516308457 LUTOUIITKVFWPU-DYTRJAOYSA-N 408.524 1.549 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)CN(C)C1=O 1519269619 GAXOXHFAFDANTB-QRWLVFNGSA-N 404.515 1.610 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(OC)CCOC2)C[C@H]1OC 1519498808 FVZDTEJBCOXHCY-UEXGIBASSA-N 413.478 1.472 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc(CC#N)c2)c1 1526247982 GMVBRJZPTAPXNL-UHFFFAOYSA-N 402.476 1.584 30 10 HDEE CS(=O)(=O)C1(C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)CCOCC1 1535445852 FGMOXSCFJWBAIS-CYBMUJFWSA-N 406.382 1.860 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CCOCC1 1538243867 JWAHSJWJUQYGBR-IRXDYDNUSA-N 420.531 1.787 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1539015368 PLKVVYQJKYPTIF-DZGCQCFKSA-N 406.483 1.834 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539079291 RSKBDVJSKFDIBS-HOTGVXAUSA-N 409.556 1.462 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1539265543 HOXUXYYCMYPUFK-ZDUSSCGKSA-N 420.482 1.549 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1539415948 IMWPWNBNYFZJOK-HRAATJIYSA-N 402.470 1.915 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCNC(=O)C(C)(C)C)n1 1539424316 OVFMIULPYINUJE-UHFFFAOYSA-N 401.515 1.232 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)CC1 1539847412 FDUOHCDLJLQWQV-CQSZACIVSA-N 406.512 1.525 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@H](C#N)c3ccc(F)cc3)c(CCO)c2=O)n1 1540655500 NHMDWZHYVQFCQF-MRXNPFEDSA-N 410.409 1.241 30 10 HDEE CC(C)c1nnc(N2C[C@@H]3CCC[C@H](C2)C3O)n1CCN/C(O)=C1\N=CC=CC1=O 1541336468 SVUPPLKPXMONFM-IDJRVXIKSA-N 414.510 1.525 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(OC)c1 1542122129 NNWMSIVGXVTTJZ-JHBCHSCWSA-N 415.446 1.722 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CN(C3CC3)C2=O)n1 1543006980 XRELFHFKAFBDCS-YCRPNKLZSA-N 410.526 1.889 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1543921406 XAPQBVQATRPACP-ICSRJNTNSA-N 419.497 1.430 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C[C@@H](NC(=O)c2ccc(O)cc2)c2ccccc2)CC1 1545534229 ASDBXUHOVUGTHZ-HXUWFJFHSA-N 420.469 1.838 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@H]2C(=O)OC)c1 1546069490 NNULXRYGIZKKJY-RDJZCZTQSA-N 421.471 1.050 30 10 HDEE COCCN(C)CCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555522400 YQXZGVRNOLSFCM-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1c(C)noc1C 1555558706 ATIDWAIPFCHXJL-UHFFFAOYSA-N 401.471 1.420 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)c1 1556288604 BJUNZPKMFOWWKW-JTQLQIEISA-N 421.372 1.264 30 10 HDEE CC(C)(CC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1556957822 PWMYSXQXMADVIS-RBSFLKMASA-N 413.540 1.713 30 10 HDEE COC(=O)[C@]1(NC(=O)c2nc(O)c(C#N)cc2C)CCCN(Cc2ccccc2)C1 1557277610 AZJJQVZLLFFRSG-QFIPXVFZSA-N 408.458 1.905 30 10 HDEE C#CCN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]3CCCO3)C2)CC1 1557840680 PYQUSPAAGIGAMF-GUDVDZBRSA-N 405.539 1.959 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1CNC(=O)OC(C)(C)C 1558640878 XGBNQIABDZXBGJ-YPWSZFOLSA-N 420.510 1.912 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@H]3CCCN(c4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1564692912 YGXIHRUURUACNT-FUHIMQAGSA-N 402.520 1.483 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(F)c(-c2nc[nH]n2)c1 1568292485 HKEJXNWJWBAZJX-UHFFFAOYSA-N 414.422 1.678 30 10 HDEE Cc1nc([C@H]2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 1570396987 ZJJMSQUQIJLBPE-GOEBONIOSA-N 407.434 1.206 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1583661967 RPGPDDIVKJFGGD-IEBWSBKVSA-N 406.504 1.323 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@H]2c2ccco2)cc1 1583926751 OKUQHXSFYNYFCO-LJQANCHMSA-N 415.471 1.810 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1584315171 NXCPOBFGYPVIPD-KSSFIOAISA-N 420.535 1.464 30 10 HDEE C[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 1585296744 MXKFNDPWGZRQSN-QJGXAYKQSA-N 406.483 1.665 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CCN1Cc1ccccc1 1585916719 LBMXQVNZZGDAFN-SFHVURJKSA-N 404.430 1.116 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2c[nH]c(C)c(OC)c2=O)c1 1586235353 YWLCTKNKVSKTDH-UHFFFAOYSA-N 405.476 1.428 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CC1(C#N)CCOCC1 1587218854 XUVMOUBQJQPAFQ-OAHLLOKOSA-N 409.483 1.708 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(CN(C)C)ccc1OC)c1cc[nH]n1 1587646230 WXFKRZMITAEHRO-UHFFFAOYSA-N 403.439 1.402 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1OCCN(C)C 1588124762 QGBSQAHNDCMVOA-UHFFFAOYSA-N 415.501 1.797 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCC(=O)NCc1ccccc1 1588134002 RFMBYVWMFHCREQ-FQEVSTJZSA-N 405.502 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1588229048 QBBCWCMFOFVOSL-QGZVFWFLSA-N 405.524 1.018 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC2(OCCOC)CCOCC2)CC1 1588732774 FYHWDCVUUNHPIT-UHFFFAOYSA-N 419.570 1.543 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)CC1 1588791424 TZGQTIXCRAPREF-UHFFFAOYSA-N 416.489 1.896 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N(C)[C@H](C)CS(C)(=O)=O 1589568846 MXDPLLJYVLHWKG-VYDXJSESSA-N 400.545 1.665 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC(=O)N1CCOCC1 1595303000 JIPXAPOIMHFLQA-UHFFFAOYSA-N 417.485 1.506 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1scnc1C 1595467468 VDUVRCJAPAPZRM-UHFFFAOYSA-N 403.512 1.218 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc([C@H]2CCCC(=O)N2)c1)c1cc[nH]n1 1596372802 HDRMAPQCWDRLRZ-OAHLLOKOSA-N 413.434 1.673 30 10 HDEE C=CCc1cc(CNC(=O)CC2(n3cnnn3)CCOCC2)cc(OC)c1OC 1598111356 LBUBCGXFFRBXGU-UHFFFAOYSA-N 401.467 1.631 30 10 HDEE C=CCNc1ncc(C(=O)NN2C(=O)N[C@@](C)(c3cccc(OC)c3)C2=O)s1 1618559878 DCMOOBFBXFEIHB-SFHVURJKSA-N 401.448 1.862 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)C(C)(C)c1ccc(C#N)cc1)C1CCCC1 1626235617 NQLQLSAJEFFSLY-SFHVURJKSA-N 406.552 1.907 30 10 HDEE C#CCN(CC(=O)N1CCCN(CC(=O)N(CC)CC)CC1)C(=O)OC(C)(C)C 1627180977 NYHOIKHTZLVURQ-UHFFFAOYSA-N 408.543 1.259 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2nnc(O)o2)CC1 1627361875 HYHRMKMNOKTOTG-UHFFFAOYSA-N 419.463 1.000 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](c2ccccc2)[C@H](CO)C1)c1cc[nH]n1 1632691823 XVWLCXQIKAEYSS-DLBZAZTESA-N 414.462 1.318 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)Nc1cnn(CCN2CCOCC2)c1 1632692646 GGSYAAXKFAFUIE-KRWDZBQOSA-N 420.514 1.741 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1632880013 CAVSKHIAXLYEHP-IZXJRJRQSA-N 406.483 1.713 30 10 HDEE COc1ccc([C@@H](OC)[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1633667180 ZUSIZNZDPBTQOR-YMFLFHJQSA-N 407.492 1.351 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3CCC(O)CC3)CC2=O)cc1Cl 1634343492 PSVPCEDRQUQJOX-OAHLLOKOSA-N 404.898 1.528 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@]2(OCCO)CCOC2)CC1 1634461081 VGQGPKRSDIENID-LBXVMSDZSA-N 404.467 1.110 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](C)NC(=O)OC(C)(C)C)cc1 1634799902 PGTLNWQDSMIROP-AWEZNQCLSA-N 409.508 1.583 30 10 HDEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1636714482 UWBBBVFEAHTTDS-UHFFFAOYSA-N 410.908 1.962 30 10 HDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1 1637744336 QZWJUJKDJSBTHV-ZDUSSCGKSA-N 420.409 1.096 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1638331560 YVPNKPXWQMXPAH-KRWDZBQOSA-N 420.554 1.258 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2cnn(C)c2CC(C)(C)C1 1642497640 AOMIYEOAWPITLN-AWEZNQCLSA-N 415.519 1.570 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N(CCN3CCOCC3)Cc3ccco3)cc2)c1N 1642824688 BLZORHRFTATONA-UHFFFAOYSA-N 420.473 1.894 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1642890024 XRMJPXCPVOKKPG-BDJLRTHQSA-N 422.279 1.451 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1643402878 BPJPVBWPDWCYFU-ZDUSSCGKSA-N 420.470 1.082 30 10 HDEE CC(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1643496454 HSLLOHAAHDUULQ-DLBZAZTESA-N 413.522 1.566 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)C(=O)OC 1643610338 GLUHVPMBROJPSG-OAHLLOKOSA-N 418.899 1.502 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)c1 1644993041 YSUCFWQPOKGYAF-HIFRSBDPSA-N 404.410 1.828 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1646202866 YRARKKUEYRJKMK-NWANDNLSSA-N 417.491 1.623 30 10 HDEE COC[C@@H]1C[C@@H](O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccc(OC)cc1 1646596400 ZYIDPGPLCJYMCS-ZWKOTPCHSA-N 412.490 1.995 30 10 HDEE CCCCCCCC[C@@H](CO)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 1647853483 HTCRXDMRGKWTGZ-HNNXBMFYSA-N 404.511 1.782 30 10 HDEE C[C@H]1CSCCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1649569671 NKEPCDQUXHATEO-AWEZNQCLSA-N 420.564 1.698 30 10 HDEE N#CCCn1ncc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c1-c1ccccc1 1650745481 JUSANEBPZTXYMC-QGZVFWFLSA-N 407.474 1.567 30 10 HDEE C=CCCC[C@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1652016934 GWILKXYXCXRPOC-VBKZILBWSA-N 414.474 1.976 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 1654724147 GDGLKBOCLQBGAC-UHFFFAOYSA-N 402.497 1.433 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1661322809 AMDFLBJGULUURA-CHWSQXEVSA-N 400.526 1.673 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C 1671494868 HHJIVIAYYWCKKU-YYIAUSFCSA-N 409.531 1.496 30 10 HDEE C=CC[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 1675544337 NVUWDRHXSHSHEL-QGZVFWFLSA-N 407.540 1.141 30 10 HDEE C#CCN1CCC(NC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CC1 1679842884 KXOOAGXRHGTOAI-UHFFFAOYSA-N 411.531 1.970 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)n1 1682196675 FUOHNGDHAHWFBD-UHFFFAOYSA-N 413.404 1.269 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccccc1 1684095721 VWNPTEVZFRNRJD-PMACEKPBSA-N 420.517 1.956 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cc(F)ccc1CS(C)(=O)=O 1685168118 XOAWMDHTGVTEEV-UHFFFAOYSA-N 412.483 1.857 30 10 HDEE CN(CCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1cccs1 1685787081 LSDADGPKWPGUGM-MRXNPFEDSA-N 404.517 1.707 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1686889898 NFNCXLARICVCFQ-GOSISDBHSA-N 406.508 1.089 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cc(S(N)(=O)=O)ccc1F 1686962376 FMBVFVYLBKCSMX-KRWDZBQOSA-N 406.439 1.220 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1689834169 YSUQOHVIEHIKFK-AWEZNQCLSA-N 413.507 1.342 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC(F)(F)F 1689959789 NDYPQALVMGKZGE-UHFFFAOYSA-N 417.395 1.879 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1689984381 ONBDNVZPQFPLEH-HNNXBMFYSA-N 423.926 1.657 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1689986843 XVZVORFTXNIDBZ-LJQANCHMSA-N 422.514 1.605 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1690000164 UELXFWRTEWGQLN-JKSUJKDBSA-N 415.519 1.063 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690359243 WKHCLPPBLVIEMV-KBXCAEBGSA-N 410.906 1.285 30 10 HDEE C=CCn1c(COc2ccccc2OCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690652398 ISJPWOCOLFYMPE-HZPDHXFCSA-N 416.478 1.802 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCCC[C@@H]2C1 1690673007 KXDHVMMWRYVWCG-LJQANCHMSA-N 424.549 1.854 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1694057240 IFBXMYPITJUMHI-WMLDXEAASA-N 400.524 1.905 30 10 HDEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1696423705 RAGFHDHZQCLFDK-AWEZNQCLSA-N 406.512 1.433 30 10 HDEE CCS(=O)(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1696494709 GMCPPRMSHLGMAD-UHFFFAOYSA-N 420.539 1.898 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1697788170 XHHAUCAWYJUHAM-CVEARBPZSA-N 417.441 1.713 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1705494654 CYMNFJKVNBUNJZ-GDBMZVCRSA-N 423.564 1.373 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1705558868 KKPZXDVCRSVDNL-IRXDYDNUSA-N 419.551 1.399 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1705569676 FUNFOTNYTMHJGR-IBGZPJMESA-N 415.563 1.776 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2cc(C)nc21 1705584918 CYZYDSOZLWTPLL-SFHVURJKSA-N 405.506 1.556 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCN(C)C2)CC1 1705635245 UXRVBBFJCHTERB-URXFXBBRSA-N 422.577 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC(O)(CC)CC)CC1 1705650098 MBHNIFHDMJFNRD-UHFFFAOYSA-N 424.549 1.781 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1705710833 RPFHKRGKIFBXHM-ZDUSSCGKSA-N 415.951 1.841 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705726397 JUXFKTWEOPDMEF-SFHVURJKSA-N 409.494 1.434 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@H]2CCOC2)CC1 1705902282 ASGDPEMYFZSXQI-ZWKOTPCHSA-N 403.527 1.727 30 10 HDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 1706897887 HVNDDTOGVFALKV-OAQYLSRUSA-N 406.446 1.644 30 10 HDEE C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1708091661 QAUSWVACCFWITO-OAHLLOKOSA-N 403.508 1.867 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(C)nnc1N1CCN(c2ncccc2C#N)CC1 1709458563 OCGRABWAKCOGDU-MRXNPFEDSA-N 410.526 1.732 30 10 HDEE CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710828303 QWIAOAMTEMBKAZ-UHFFFAOYSA-N 405.466 1.365 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cn2ccccc2n1 1722342293 NMQKEWPOTSZTIM-UHFFFAOYSA-N 400.446 1.885 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722361310 YVBWLTDNQARMJK-INIZCTEOSA-N 418.519 1.778 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CCOC 1722477004 DMDXMKGQDYRUJT-BBTUJRGHSA-N 405.543 1.572 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722498678 CLMYANGSZGUDHV-ABSDTBQOSA-N 424.567 1.480 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1722622408 MTGRFRMUCAGXRL-QUSNUVHPSA-N 409.556 1.716 30 10 HDEE C=CCN(c1nnc(C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1)C1CC1 1722643766 ACQVHRPHNSAGOG-UHFFFAOYSA-N 408.528 1.838 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722694067 KOCJCVDDOMMIOB-CKJXQJPGSA-N 415.494 1.921 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC(N)=O 1722706931 BHLUFOYUVILKGR-ZBFHGGJFSA-N 412.494 1.542 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC)C1 1722725890 SWOMCDOHJSRLAE-INIZCTEOSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722732156 VRYUUTOSEWZRFE-INIZCTEOSA-N 412.556 1.547 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1730874227 IAPTVANAFCCONA-QAPCUYQASA-N 401.467 1.271 30 10 HDEE N#CC1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)CC1 1731186009 IWFDNIOWUUHIPI-UHFFFAOYSA-N 411.445 1.813 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC(=O)NCC(F)F)CCO1 1731186629 FLVHPBOWSUFOMQ-LBPRGKRZSA-N 424.383 1.106 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)NC(C)C 1740556663 FBZLPFRFPTTYIC-QGZVFWFLSA-N 419.551 1.951 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740569885 RXPDUGJKWAITGT-UHFFFAOYSA-N 423.521 1.317 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@H](C)CC 1740609265 MYOVXMIJMDXLED-OAHLLOKOSA-N 421.505 1.566 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CN3CCCC3=O)n2[C@@H]2C[C@H]2C)n1 1740689162 QHMGTZZPZKYKGP-SJLPKXTDSA-N 411.510 1.464 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCNS(C)(=O)=O)CC1 1740819528 TXSPWCNWYFIAGK-SFHVURJKSA-N 413.544 1.026 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1740941205 FEPCLGQFWVYSRV-INIZCTEOSA-N 411.572 1.303 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1740955237 ZQPUUPGCAMLYGQ-INIZCTEOSA-N 409.494 1.951 30 10 HDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1741758186 BBASHXFESOPODY-GOSISDBHSA-N 409.494 1.798 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCOC1 1746663127 YQLLKBAQGVFCNV-MGPUTAFESA-N 401.467 1.916 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1748874962 GFTAKZZMUULROQ-QFIPXVFZSA-N 411.506 1.997 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN(CC)S(C)(=O)=O 1748883210 WQIXZOXZEDCINA-UHFFFAOYSA-N 416.551 1.418 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(OCC)c2)CC1 1748986654 FYXFMRBUCVLFIP-UHFFFAOYSA-N 403.490 1.937 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C2CC2)CC1 1748993680 HWWVQWJUMUOEMO-HXUWFJFHSA-N 400.552 1.550 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749021816 AWRBCXHTKNNVSS-VBKZILBWSA-N 418.567 1.973 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C)[C@@H](O)C1 1749677039 LJYHVZPDHROSOQ-BEFAXECRSA-N 408.506 1.860 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCS(=O)(=O)C1 1751672429 BULPHOXCUMVYHE-SJORKVTESA-N 415.519 1.807 30 10 HDEE Cc1nccn1CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1751813560 REPWRAVUPRJYFJ-XLIONFOSSA-N 415.498 1.253 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)NC 1760211531 HWXUQPODWKCMTI-UHFFFAOYSA-N 403.284 1.635 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC(F)F)CC1 1760391673 NEZAWDLVCCSALF-UHFFFAOYSA-N 424.477 1.807 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC1CCS(=O)(=O)CC1 1760502594 FNZALUNVOAXMLH-UHFFFAOYSA-N 407.540 1.747 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1761362309 BLSYCSBKDPMWKU-XJKSGUPXSA-N 416.507 1.066 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccnc1OC 1764917639 QAXMTJNTYIOFNA-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1766498398 NWKCXGPCWNHESU-ZWKOTPCHSA-N 424.505 1.870 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CCC2)nnc1N1CCO[C@@H](C#N)C1 1768426888 ATXIWJKOVTWGOJ-ZWKOTPCHSA-N 415.542 1.217 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1768518835 UAVWCYITNQQGKY-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1772845001 ISXPVRKMBYETDB-QWHCGFSZSA-N 422.511 1.405 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@H]1CCNC(=O)C1 1849694397 UMPKWYQMJCQQOB-RBUKOAKNSA-N 402.491 1.564 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)CC1 1850216187 YZYFDCJBQJIUSD-IBGZPJMESA-N 424.549 1.229 30 10 HDEE C=CCN1CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1850875602 WIMRNTQWLLZXJC-INIZCTEOSA-N 415.556 1.556 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)Cn2nnc3ccccc32)cc1 1851754442 PAIYCEXFNUYFHQ-IBGZPJMESA-N 421.457 1.626 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cnn(-c3ccccn3)c2)CC1 1852671895 YAQAXLWQNAREAT-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CCC(=O)N(CCCC)[C@H]1c1ccccc1 1853085222 LANHNQHTFHUOHW-ICSRJNTNSA-N 404.532 1.931 30 10 HDEE COC(=O)C1=C(NC(=O)[C@@H]2COCCO2)c2ccccc2[C@]1(C#N)c1ccccc1 1853332261 SUHNGMJNTCBVRQ-MBSDFSHPSA-N 404.422 1.926 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)CCC5)C3)CC2)n1 1853388513 JYIYVXYYFFYKQH-GOSISDBHSA-N 416.485 1.539 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OCC)nc2)C1=O 1853789308 DZJHRVTZZQYMLG-IAGOWNOFSA-N 400.479 1.330 30 10 HDEE COCCN(Cc1cccn1C)[C@@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854227076 UEANAODVCKOFMD-HXUWFJFHSA-N 409.490 1.962 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@@H]1CCN(C2CC2)C1=O 1854254978 FUDMMWWHUJWANW-FZKQIMNGSA-N 414.893 1.842 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854439069 HKQVNFMHYQFNBO-IRXDYDNUSA-N 424.567 1.476 30 10 HDEE CC(C)CS(=O)(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C1(C)C 1854699752 WBWVRCZUAJLUSI-UHFFFAOYSA-N 405.520 1.926 30 10 HDEE Cc1ccc2nc(C)cc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)c2c1 1854815294 UJTNQRDHQSPYDD-AWEZNQCLSA-N 400.460 1.378 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c1C 1855176247 IKVYZOKTUXCQBS-ROUUACIJSA-N 411.506 1.846 30 10 HDEE N#Cc1ccc(CCC(=O)O[C@H]2CON(S(=O)(=O)CCC(F)(F)F)C2)cc1 1855442926 FZXYARYFVACKPS-CQSZACIVSA-N 406.382 1.932 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@H]3OCCc4ccccc43)CO2)cc1 1856769242 YKKRFIRWAVYMCG-APWZRJJASA-N 414.439 1.720 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@H]1CCN(C)C1=O 1857053907 XVSHULIZOGYDGG-AEFFLSMTSA-N 414.506 1.496 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCn2ccnc2C)C1)[C@@H]1CCN(C)C1=O 1857080010 JCEHZWJIAVIBLQ-QZTJIDSGSA-N 401.511 1.066 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857223847 QWEUIBOXZPKXPT-ZWKOTPCHSA-N 416.522 1.015 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857373294 LVRIHZNYCUSFCY-GOSISDBHSA-N 421.494 1.743 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@@H](n4cnc5c4CCCC5)C3)C2=O)ccn1 1857375277 VJQSJDWSYUXJKD-YLJYHZDGSA-N 404.474 1.717 30 10 HDEE C=CCNC(=O)[C@H](CC)NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1861593542 JGVWTBBQINQHIQ-IRXDYDNUSA-N 417.506 1.292 30 10 HDEE C=CCOc1ccccc1OCC(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@@H]2C(=O)O 1865929838 VYGPSODMZSKTJS-VYDXJSESSA-N 406.460 1.262 30 10 HDEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(CO)CC1 1868782982 NPSOQPBSPSANFD-QAPCUYQASA-N 418.563 1.760 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2C[C@H](C)O[C@H](C)C2)cc1=O 1870385256 PBXDENLTWKRKDO-KDURUIRLSA-N 405.539 1.745 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCC[C@H](C)C1 1870542039 MNXVHEADBNKTNB-HKUYNNGSSA-N 403.523 1.940 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC[C@@H](C)C2)cc1=O 1870562802 XBFGSNXAAWILLN-OAHLLOKOSA-N 403.504 1.788 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2cccc(NC(C)=O)c2)cc1=O 1871004698 SKGRRXILMYZUMI-UHFFFAOYSA-N 424.501 1.763 30 10 HDEE CCOc1c(Br)cc(/C=N/n2cnnc2SCC(N)=O)cc1OC 1874537776 WCPGTVQMWSCPIS-NGYBGAFCSA-N 414.285 1.908 30 10 HDEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n(C)n1 1889240580 KLDCYDFYUKUEBO-UHFFFAOYSA-N 401.555 1.379 30 10 HDEE COc1ncccc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889328633 JZXNRQHHHHLLOM-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(Oc3ncccc3C#N)CC1)CS2 1891906793 QGYXIJXSFUAODS-OAHLLOKOSA-N 411.487 1.610 30 10 HDEE COc1[nH]c(=N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 1901384413 JFBBUOICBAWGGX-KBPBESRZSA-N 405.304 1.889 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)c2cncc(C#N)c2)CC1(F)F 1965777171 IPPAEQPVUMQQKK-ZDUSSCGKSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985106299 YCHBNGKSHLOIOO-KBPBESRZSA-N 410.320 1.766 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1992861487 VVVKBUCRGYMIBN-AVRDEDQJSA-N 420.506 1.872 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2029231085 RCKJLWZPMPMYPO-MRXNPFEDSA-N 406.460 1.239 30 10 HDEE CC(C)(C)OC(=O)N1CC[S@](=O)(=NS(=O)(=O)N2CC(C#N)C2)C(C)(C)C1 2132827986 UJOIAHJQCBPWAF-RUZDIDTESA-N 406.530 1.184 30 10 HDEE Cn1cc(Br)c(Cn2cc(Br)cc(C(N)=NO)c2=O)n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c1nccnc1B1OC(C)(C)C(C)(C)O1 2248063393 KWXUMNVWRGBMEZ-ZDUSSCGKSA-N 420.319 1.666 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CNC[C@@H]3C4)cc2Cl)OC1(C)C 2267353953 NUTPNQQIYKGYPN-VFZGTOFNSA-N 404.750 1.341 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCC[C@@H]3N)cc2Cl)OC1(C)C 2267355046 FNAANSUCAXZYCG-QWRGUYRKSA-N 406.766 1.859 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)N(C)C 2267355622 HJBQDASTTCYGKT-XMMPIXPASA-N 408.376 1.619 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1 2281831993 HQLLUHFOFCPUHS-JTQLQIEISA-N 402.709 1.046 30 10 HDEE COCOCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282304785 PGVKZADOVJNING-UHFFFAOYSA-N 405.347 1.645 30 10 HDEE Cn1ncc(Cl)c1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333127 KVMAVZCWMMPHMS-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CO[C@H]1COC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338691 PCUPSLWEVQTLCF-STQMWFEESA-N 403.331 1.082 30 10 HDEE CCN(CC)C(=O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282414794 XOSKXAUYDPGDEA-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](F)[C@@H]2CCOC2)OC1(C)C 2282494009 YVYJARUJIOFMBF-DGCLKSJQSA-N 405.322 1.700 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCC[C@@H]3O)ccc2Cl)OC1(C)C 2282495708 QEGYNXLONLTFMH-CABCVRRESA-N 401.721 1.831 30 10 HDEE C=C(CS(=O)(=O)NC[C@@H]1CCS(=O)(=O)[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2282506834 YCKBVFSDHRGLSR-UONOGXRCSA-N 407.363 1.307 30 10 HDEE CC1(C)OB(c2ccsc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282669356 SDISBHZRZXLNOA-GFCCVEGCSA-N 417.383 1.607 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCNC(=O)C3)cc2Cl)OC1(C)C 2282834322 SHNNBCJMSMMPGY-VIFPVBQESA-N 420.749 1.258 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCN 2282855172 ANIPSAHSSQNWFN-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE CCN[C@@H](C)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866769 OTICHRZWPONPIA-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CSC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282873459 LQKTYEBARFGZRX-JQWIXIFHSA-N 401.363 1.058 30 10 HDEE C[C@@H]1C[C@@]1(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399195 HKYOJTUZMACGQR-HWPZZCPQSA-N 401.315 1.436 30 10 HDEE COc1nc(N2CC(CNC(=O)C(F)(F)F)C2)ccc1B1OC(C)(C)C(C)(C)O1 2301564642 KRQXQYLPFYBHLQ-UHFFFAOYSA-N 415.221 1.504 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1 2365197915 CDJWLPGAFXPXPN-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](Cc1nccs1)NC(=O)OC(C)(C)C 2365210446 KEXODJWDSRTHFX-ZIAGYGMSSA-N 415.581 1.994 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367785790 FQFWRYGHGMLJHF-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367809006 JAGILJUXIAFFPS-BZUAXINKSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCC[C@H]1NC(=O)OC(C)(C)C 2367830775 LTISXAPHXLMCRI-CLCXKQKWSA-N 400.541 1.353 30 10 HDEE C=CCn1c(SCC(=O)OCC(=O)NC(N)=O)nnc1-c1ccc(Cl)cc1 9414429 XBCUVPVYFLOUGL-UHFFFAOYSA-N 409.855 1.615 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=O)/c(=C3/C(=O)Nc4ccccc43)s/c2=C/C#N)cc1 96839012 GYIXTBVJQOFIEN-BDLYVICFSA-N 416.462 1.312 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)CS(C)(=O)=O)ccc2Cl)OC1(C)C 404926944 KHXBOXHMHDEQCK-UHFFFAOYSA-N 409.722 1.383 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)c2ccccc2C)CC1 409567890 UZOUBDOGVGHBBQ-UHFFFAOYSA-N 408.524 1.296 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(Oc2cnccn2)CC1 427804834 DDOGUJOYJUOZTA-AWEZNQCLSA-N 415.475 1.085 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 435598934 QXCDIYWKAVWYGJ-YJBOKZPZSA-N 414.549 1.731 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccccc2O)CC1 436623776 JCGOTRJNITZYLC-GOSISDBHSA-N 405.458 1.612 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(CO)nnc3C2)n(Cc2ccccc2)c1C 471049448 YPMSBSPXPXTURL-UHFFFAOYSA-N 419.489 1.563 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CC)Cc2cn(C)nn2)c(C#N)cn1CCOC 481347534 LYRIXEVLIFUPMN-UHFFFAOYSA-N 403.443 1.365 30 10 HDEE Cn1nc(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c2ccccc2c1=O 485993236 UUFOCZDPRDIDQM-LJQANCHMSA-N 415.453 1.265 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc4ccc(=O)n(C)c4c3)CC2)c1C#N 489600112 DGAAWVZJVPQNGF-UHFFFAOYSA-N 405.462 1.806 30 10 HDEE COC(=O)c1ccccc1CC1CCN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC1 490052188 GAYYRJZBWLPFIP-QGZVFWFLSA-N 407.492 1.197 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3cccc(Br)c3)CC2)CC1 492335921 KVHYJTVFJXJOMU-UHFFFAOYSA-N 406.324 1.927 30 10 HDEE CCc1cnccc1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 498687688 CMABZBVMIQCKFQ-UHFFFAOYSA-N 413.503 1.732 30 10 HDEE CC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)F 498877187 ZEEGNTGIWQZNDI-UKRRQHHQSA-N 414.478 1.413 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CC1 502997136 DOPWYPGZUCTINU-NRFANRHFSA-N 420.517 1.858 30 10 HDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCC(C)(C#N)CC2)s1 503737133 LBQVPGJIPNLMMT-UHFFFAOYSA-N 405.567 1.544 30 10 HDEE CC(=O)N1CCN(Cc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 505157944 FCYBKZYRZLYWGX-UHFFFAOYSA-N 411.506 1.441 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 508887414 IOWXSADZZMMSRC-CYBMUJFWSA-N 415.479 1.725 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)ccc1C#N 516896493 LLJAUMBEPKHZIC-UHFFFAOYSA-N 403.416 1.385 30 10 HDEE Cc1[nH]ccc(=NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1Br 527086697 JYYAOXWIHZRMND-NSHDSACASA-N 416.283 1.979 30 10 HDEE COC(=O)c1cncc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c1 530428982 LOCNREITSKYVOC-UHFFFAOYSA-N 401.444 1.972 30 10 HDEE CNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541100091 BFZBITAAGSKFOK-CYBMUJFWSA-N 408.871 1.553 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCCn3ccnn3)c(C#N)c2N)cc1 541522821 YUUXZSSHDYPICF-UHFFFAOYSA-N 407.482 1.548 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 543215515 SQFJCPNHZZRSHA-OAHLLOKOSA-N 409.450 1.155 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN3CCOC[C@H]3C2)CC1 543613278 UBHJOSZNZNIONF-MRXNPFEDSA-N 411.462 1.566 30 10 HDEE C=C(C)Cn1c(CN2CCCc3ccccc32)nnc1N1CCO[C@@H](C(=O)NC)C1 549689050 WIBGXRAUGKIJRG-LJQANCHMSA-N 410.522 1.758 30 10 HDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NCC)CC1 555248145 KWESBKAXKOIGKR-IBGZPJMESA-N 410.522 1.789 30 10 HDEE COC[C@@H](C(N)=O)N(C)CCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 555577786 SHLOYIOIWYQKPC-KRWDZBQOSA-N 401.467 1.379 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)N2CCO[C@H](COc3ccccc3)C2)CC1 561453419 IOTVMPLJJGSYCN-FQEVSTJZSA-N 401.507 1.450 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 569829765 NFDFHTKXLPVGFX-HZPDHXFCSA-N 403.508 1.809 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 571196410 JQAXLAJXUPKDAR-YWZLYKJASA-N 421.519 1.827 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCN(CCOC)C(=O)C1 578177425 RBEKBPMNWLYSKC-SFHVURJKSA-N 413.478 1.662 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CC(=O)N(Cc3ccc(C(=O)O)cc3)C2=O)CC1 610259315 KBTDEOQLWCQVJN-SFHVURJKSA-N 419.441 1.101 30 10 HDEE N#Cc1cc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccn1 610955341 VTWVBSSCEZZSBE-UHFFFAOYSA-N 404.404 1.461 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cccc(CC#N)c2)CC1 619481935 XLEJRFHNYWDBGE-INIZCTEOSA-N 404.536 1.506 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669814127 DMWASLDCUHJQSA-QGZVFWFLSA-N 410.478 1.558 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1 679532550 XMFWDDLUAWSSAS-UHFFFAOYSA-N 402.495 1.758 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2c2nnc(C3CCC3)o2)C1=O 685208999 LMAQRJLIKMHHMV-ZDUSSCGKSA-N 401.423 1.368 30 10 HDEE CN(Cc1cc(C#CCO)cs1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703971639 ZOCONWFOLYHIPL-UHFFFAOYSA-N 418.496 1.150 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)Cn1c(O)nc2ccccc21 726998458 VAKYTXJSLLUKJL-UHFFFAOYSA-N 416.397 1.981 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)COc2cccc(C#N)c2)CC1 727743146 OFCULESITIDQBO-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 729334037 GWISTMMMRBFBBX-FQEVSTJZSA-N 416.543 1.507 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(Cl)cc1 730141887 LPXPXKAZNLZJFV-OAHLLOKOSA-N 412.943 1.986 30 10 HDEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 731862303 CFQOQKWWKZXKDL-QGSQVHNNSA-N 412.490 1.782 30 10 HDEE CN(Cc1ccccc1N1CCOCC1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465605 ICVRHYGLXXATDG-FMQUCBEESA-N 413.478 1.191 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1cnccn1 735480573 MMRJIHLXSREHAJ-INIZCTEOSA-N 401.492 1.588 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccc(C#N)cc1 740207712 YTBGPJXTTFZCDQ-OAHLLOKOSA-N 408.819 1.930 30 10 HDEE C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746295382 HKBWNDWGVZNDHK-NFFVOIMASA-N 411.506 1.230 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)NC1CCN(c2ccccc2C#N)CC1 750046810 CFBXMBAEJVCAGB-KRWDZBQOSA-N 424.592 1.704 30 10 HDEE Cn1cc(C#N)cc1C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 751285647 NFNPZZUZAHJRJX-UHFFFAOYSA-N 423.445 1.823 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCCOc1ccccc1C#N 755186692 SSHMBUWQZSERPB-MRXNPFEDSA-N 417.462 1.996 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C3=NN(Cc4ccccc4)C(=O)CC3)CC2)n1 760776104 HHZOUXWJSGAXCV-UHFFFAOYSA-N 402.458 1.780 30 10 HDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3ccnc(S(C)(=O)=O)c3)no2)cc1 761890691 LDSOJCRZGUYKLM-UHFFFAOYSA-N 418.456 1.114 30 10 HDEE COC(=O)[C@@H](OC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(C#N)cc1 767450233 WLQPZRXAGFXJPW-CVEARBPZSA-N 404.419 1.951 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC(=O)OCC)cc1)[C@@H]1CCS(=O)(=O)C1 774239074 AGZSCYCQZMOXAO-QGZVFWFLSA-N 422.503 1.003 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 781539485 OOKCUNSRSJGPHF-UHFFFAOYSA-N 421.454 1.103 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1 794745657 PMKARWKGTJUOSK-GOEBONIOSA-N 416.503 1.801 30 10 HDEE C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 804368411 CUPHDRYOIJTDTB-YRHYBLIZSA-N 400.410 1.676 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1 804707653 CSYWWBPCEFVTQZ-BBWFWOEESA-N 409.527 1.847 30 10 HDEE C#CCN(c1nnc(-c2ccc(OCC)c(OC)c2)n1C)[C@H]1CCS(=O)(=O)C1 809829295 DFFFOJRGUZXELF-HNNXBMFYSA-N 404.492 1.516 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)CCCCC(N)=O)cc1Br 810881228 KFTIZMNFCCQQAT-UHFFFAOYSA-N 406.233 1.310 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccnc(S(C)(=O)=O)c2)ccc1F 1127652291 VJQFUODXJCZKMG-UHFFFAOYSA-N 413.452 1.341 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C#N)c2cccc(Br)c2)C1=O 1127691190 MHJTYPGPOHHJAK-UONOGXRCSA-N 408.252 1.542 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1128537515 AREVCJIBPDSOFQ-GJZGRUSLSA-N 401.525 1.621 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 1129262566 CDNOFFAMHGOZMZ-QZTJIDSGSA-N 404.478 1.855 30 10 HDEE N#Cc1nc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Br 1130036672 MLMHXVKUBCGNRU-FKGLVLAHSA-N 419.235 1.207 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(=O)OC 1132422239 OYKCOAXBQROUBA-RKVPGOIHSA-N 424.519 1.722 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])c1 1136107897 PVUMVEOWUMSYPO-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1137093993 AIGUJNPMGWIIDN-INIZCTEOSA-N 401.369 1.589 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCCOC1 1138143320 HVJDRDXNDGQIFT-MLGOLLRUSA-N 412.439 1.211 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(-c4ccncc4)c3)CC2)cc1 1141411575 CIVPPTJXUCOQBL-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCCC1 1148335260 WHXVZGMNAIHNFJ-INIZCTEOSA-N 407.492 1.715 30 10 HDEE C#CC[C@H]1CCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1148872713 YZJMKSNZDODRPW-INIZCTEOSA-N 405.520 1.319 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(=O)(=O)NC)C1 1150390901 XFOSQFRDSSAPRN-LSDHHAIUSA-N 401.529 1.081 30 10 HDEE C#CC[C@@]1(C(=O)N2CCCN(CC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1154931898 WZXJKCAGSIFWEM-QFIPXVFZSA-N 420.554 1.402 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)cc1 1160930567 MLGDIUCLKADMJK-UHFFFAOYSA-N 420.535 1.790 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCO)CC1 1168774560 KZQYFSWOIDMEFI-CQSZACIVSA-N 403.907 1.369 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)cc1OC 1175204675 QNUDNZFCUVSUTA-QQOXCAACSA-N 400.475 1.763 30 10 HDEE COc1ccc(C[C@](C)(CO)NCCS(=O)(=O)c2cccc(C#N)c2)cc1OC 1176601074 XSEYNGVGJUDCKE-OAQYLSRUSA-N 418.515 1.932 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1OCCOC 1192130566 CQAQGMUPPWFWPH-CYBMUJFWSA-N 406.298 1.527 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1195568005 ODNNLJOXMVLONI-OAHLLOKOSA-N 411.474 1.143 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCN3CCO[C@H]2C3)cc1 1214686796 HUGDNNUVAJOUKL-MSOLQXFVSA-N 408.524 1.430 30 10 HDEE C#CCOCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Cl)CC1 1224886759 FQKCWHCBUOGSMU-MRXNPFEDSA-N 407.898 1.919 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1 1256584537 GCZGGNMGGSBDGT-SFHVURJKSA-N 401.511 1.950 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN(C)S(=O)(=O)CC 1286300088 MJAGZNOWUCLSMM-AWEZNQCLSA-N 424.596 1.763 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1286337999 BRDDNYUCPXJABW-IRXDYDNUSA-N 410.478 1.723 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286339549 NGZCLTXJGXFGEY-HXUWFJFHSA-N 415.519 1.464 30 10 HDEE C#CCCCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@]1(OCC)CCOC1 1286359356 CNQSGYJHRNRTOP-FQEVSTJZSA-N 424.567 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC1CC1 1286433640 ILQUYQOQSSYVEY-UHFFFAOYSA-N 409.465 1.985 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1286509299 OPPZXYRSJNLPFM-GOSISDBHSA-N 423.546 1.742 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286677039 WEIDJNIIHBKVMS-HNNXBMFYSA-N 416.530 1.949 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1287222603 HWMBBQDRXHYGCF-HNNXBMFYSA-N 404.496 1.109 30 10 HDEE C[C@]12CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C[C@H]1CS(=O)(=O)C2 1289511954 WPQVECBFFKJZEX-CKFHNAJUSA-N 421.906 1.458 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1 1294722513 LZMJFTSFJHPPQT-CYBMUJFWSA-N 409.273 1.931 30 10 HDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1295810529 JQUJWCXMSOWRTI-KRWDZBQOSA-N 424.571 1.584 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1297029268 DWZVHBAWNWBACK-IAGOWNOFSA-N 406.479 1.983 30 10 HDEE CC(C)[C@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)N(C)Cc1nnc2n1CCC2 1297324122 YXRXENIAYBYEBU-FQEVSTJZSA-N 419.489 1.990 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300352889 DTFRZSVLWMXQKK-UHFFFAOYSA-N 404.478 1.730 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCO[C@@H]1C 1300475449 KCMJYVASTASUIS-IIBYNOLFSA-N 400.479 1.865 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1300488414 RNCKUQXQVQDBTO-INIZCTEOSA-N 419.551 1.963 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1300649832 WWGHRDZRQKGZBB-XMSQKQJNSA-N 413.497 1.628 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2cccs2)N(C)C)CC1 1300699526 DXTXXPONVPMSDB-MSOLQXFVSA-N 414.579 1.902 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300948791 ANTRBNKYLBNYAH-QGZVFWFLSA-N 417.558 1.186 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300983882 RMBFHVMFJODPSN-KRWDZBQOSA-N 401.515 1.576 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1301019120 GXNBLEZMUJJICA-CYBMUJFWSA-N 409.899 1.413 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1301036989 OPBCFYHQXDEAEH-OWCLPIDISA-N 408.934 1.529 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 1301587508 QAYSZVPADQIJOQ-UHFFFAOYSA-N 418.585 1.091 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)C1 1302980334 OWLMKVRBQBLKJZ-KRWDZBQOSA-N 400.405 1.628 30 10 HDEE C=CCn1cc(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)nn1 1303808052 ZMVHDWBGYFGNJT-CQSZACIVSA-N 419.482 1.527 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1303901594 XAGOCDQIFUPJTE-ZDUSSCGKSA-N 405.505 1.640 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2C[C@H](N(C)C)CC[C@H]2C1 1305367549 FITMNRHSQZNXAN-DZJNRPSUSA-N 404.536 1.414 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1305789119 CQNBJEOGEJQQRQ-UONOGXRCSA-N 412.441 1.349 30 10 HDEE COc1cc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc(OC)c1O 1306892986 POZVYEFWEVIEAW-UHFFFAOYSA-N 414.414 1.856 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1310161807 INVZDFPWJOGOJT-PYCFMQQDSA-N 405.524 1.576 30 10 HDEE CC[S@@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1314578819 ZKUWRTLVLULTLN-VLMBKWFHSA-N 409.556 1.901 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)C1 1316526661 APAVLBUIPIIFNN-FQEVSTJZSA-N 410.457 1.629 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(=O)OC)oc2C)c1 1351602568 YRWXYSNFTNCLML-UHFFFAOYSA-N 410.426 1.862 30 10 HDEE C=CCN(C(=O)c1cncc2nc(C(F)(F)F)n(C)c12)[C@@H]1CCS(=O)(=O)C1 1352905552 RDICAZROPJBIRZ-SNVBAGLBSA-N 402.398 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1ccco1 1358893958 FYTGXEGKGRDZFY-INIZCTEOSA-N 417.473 1.998 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1358918868 JQFWVSTXQAPPTJ-IBGZPJMESA-N 414.554 1.476 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358933935 JIDCLJSRXKGGFO-KRWDZBQOSA-N 405.462 1.356 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1359024805 WHZYIGIULRONNC-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1359062345 DTOLRWJUGXCKNW-OAQYLSRUSA-N 414.554 1.617 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1359062445 IHPKIDRVRCXCQH-XHSDSOJGSA-N 421.523 1.009 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1359070400 LVZDGASJGRVJEG-OXQOHEQNSA-N 421.567 1.793 30 10 HDEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359121989 RDXDURIHXWDDNC-RKVPGOIHSA-N 414.462 1.727 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCC[C@@H]2CO)CC1 1359158291 MFCZHJMLNAHVLF-LJQANCHMSA-N 416.570 1.907 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1359207583 OYKCSFQNWRBSLI-IRXDYDNUSA-N 406.531 1.820 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1359634870 HTRRLTQMGRWXKI-SFHVURJKSA-N 412.494 1.441 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)c1 1439707865 IUVHHWPJAKNTNC-HXUWFJFHSA-N 419.503 1.431 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](C)c1nnc(O)n1C 1452567349 PPTLBMUDPSEVOL-SECBINFHSA-N 424.255 1.810 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1454716221 VOOGQRKBBNFBHE-FZKQIMNGSA-N 404.891 1.939 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)c3cc(F)cc(C#N)c3)cc2)CC1 1463514060 PVIFHXCVPFCPBY-UHFFFAOYSA-N 416.478 1.844 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)c(=O)nc1O 1464675382 GVOYKDDJLSHDHG-UHFFFAOYSA-N 413.409 1.227 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H](C)NC(=O)OC(C)(C)C 1464927579 UMVGGPMRSDLHQT-OGHSCIDFSA-N 408.499 1.814 30 10 HDEE C#CC1(O)CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1 1465334886 GPAHUIVFHMXIFA-HEHNFIMWSA-N 404.492 1.491 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 1466196274 BNLJDRBKZZXFPM-HNNXBMFYSA-N 416.421 1.767 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(=O)cc[nH]c2c1 1467594580 NZNQENQEVFTDMN-ZDUSSCGKSA-N 410.455 1.383 30 10 HDEE CCCS(=O)(=O)N1CCC(NC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1471410027 QNIMWJFHILACHO-LJQANCHMSA-N 420.535 1.845 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1502676182 FOYKIJSFIFWWQZ-RTWAWAEBSA-N 418.542 1.127 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1507631527 FEJILSWQSZJCJS-LSDHHAIUSA-N 410.565 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1507663986 MWMXNLYJHYMQIG-SFHVURJKSA-N 407.499 1.714 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCN(C)C1 1507713759 WJCSDCOIKUEJFD-JOCHJYFZSA-N 413.522 1.318 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)c2cccs2)CC1 1507731846 QRZOMYNCKJMDQI-JXFKEZNVSA-N 401.536 1.506 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCC[C@H]2OC)CC1 1507741559 WSSINNCOQHJYFV-IPMKNSEASA-N 415.538 1.911 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508072750 GLEWEACVVVWDKP-GOEBONIOSA-N 415.929 1.969 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508087666 DBDZEWFNKPTRGY-STQMWFEESA-N 403.405 1.242 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@@H](C#N)C1 1508095726 ZXPOHTSZGUSWDQ-KRWDZBQOSA-N 410.478 1.450 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1513370911 BOBGJVZUDRZYBF-LEWJYISDSA-N 417.558 1.393 30 10 HDEE CCOCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1Cc1cnnn1C 1516529418 GYFDYTUJDNFLEJ-UHFFFAOYSA-N 422.493 1.911 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2nccc(C(F)(F)F)n2n1 1519190077 CEBHMLNJADFKKL-LLVKDONJSA-N 416.367 1.761 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c1=O 1537417944 FCFXPYHQKICYQX-CQSZACIVSA-N 409.320 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(N)=O)cc1 1539037043 AMRRKJOOHICYDN-HFTRVMKXSA-N 412.494 1.999 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCCCOC)CC1 1539484133 DFFUBUXEYUYREK-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](OCCOC)C1 1539612799 QDGROOXGYZFZRL-SQNIBIBYSA-N 421.542 1.639 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1539646690 ZNYJBGAEPIPHSB-ZHALLVOQSA-N 419.526 1.406 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1540171209 WTZZCTAERHNRLV-SFHVURJKSA-N 402.520 1.899 30 10 HDEE COc1ccc(NC(=O)C#Cc2cccs2)cc1S(=O)(=O)N1CCOCC1 1540391233 OVFLJACBIFBMGB-UHFFFAOYSA-N 406.485 1.768 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)NCc3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc12 1540474074 DNLWWDFAAVGHTB-UHFFFAOYSA-N 424.482 1.990 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1540872510 RMUOEUUJOSELPG-QGZVFWFLSA-N 410.522 1.571 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1540876547 VCROEVGJTVMSGO-MFCZKXCZSA-N 405.499 1.205 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)(F)F)C1 1540894420 XOSKRAZJLSYUNG-HNNXBMFYSA-N 424.427 1.724 30 10 HDEE C[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)NC(N)=O 1542096309 IJSGIXRILOVDRY-GHOZOMOVSA-N 409.512 1.665 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)c1 1543231343 SEQAXVCWPTUINU-INIZCTEOSA-N 417.462 1.521 30 10 HDEE CCS(=O)(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NC)C1 1548367971 ZUSWFJHWZGEHNA-AWEZNQCLSA-N 404.414 1.163 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@](C)(C#N)C1 1552889994 FHPLVSNZSAQKOK-LJQANCHMSA-N 417.539 1.285 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1555991052 VQDLADNIOROQAX-IRXDYDNUSA-N 407.540 1.737 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CCO1 1555993025 GTKIRKHKRXNKSN-GOEBONIOSA-N 400.870 1.854 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(Cl)c2Br)CC1 1559718096 ISXZOKQWUWHSSL-UHFFFAOYSA-N 406.733 1.688 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(C)c(I)c2)cn1 1561734090 LTFFLYIRCDCXPE-UHFFFAOYSA-N 415.256 1.908 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1 1562081030 HQCXWPFAIUOHTG-INIZCTEOSA-N 409.508 1.766 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1562475578 OZKHOWKFIVXAGA-ZDUSSCGKSA-N 405.520 1.851 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(N3CCCC3=O)cn2)c1 1566573501 JIRGQDTYCASBMS-UHFFFAOYSA-N 402.407 1.897 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C)c1cc[nH]n1 1567695698 DDNLMKXPIVNUQK-MGPUTAFESA-N 415.494 1.810 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)COc2cccc(Br)c2C#N)nc1=N 1567946671 UCYSKNLTNOJTAH-GFCCVEGCSA-N 405.256 1.604 30 10 HDEE CC(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1569620145 QOXGWKIHZAPCFK-QBNCKDSPSA-N 415.446 1.288 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)Cn3nnnc3-c3ccccc3)CC2)c1 1585090705 OGEDXGQAJYOGSC-UHFFFAOYSA-N 401.474 1.993 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C)CCCN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1585215525 LADPQVOSIAYAEO-HXUWFJFHSA-N 421.519 1.838 30 10 HDEE COc1cc2nc(C(=O)N(CCC#N)Cc3ccccn3)c(=O)n(C)c2cc1OC 1585350920 NRONGUBHMTWBIN-UHFFFAOYSA-N 407.430 1.902 30 10 HDEE Cc1cccc2c1C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CO2 1585390916 AXRPOWKKZZUYMH-HNNXBMFYSA-N 413.499 1.934 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1587758605 DGOOOKMIGKOSII-IBGZPJMESA-N 414.554 1.581 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1588053376 DMSBJYNQUXBPDM-SJORKVTESA-N 422.551 1.104 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588059792 VHPQRXXJVDCVLJ-OXQOHEQNSA-N 424.567 1.299 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1588228996 OPJRBLLMHDEYGW-RTBURBONSA-N 407.522 1.647 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CC1CCN(CCN(C)C)CC1 1588574472 JBAWQVWCQJDBSP-UHFFFAOYSA-N 404.603 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1588604804 QBBAUMFBUROYFM-UHFFFAOYSA-N 408.506 1.625 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1589078377 NCIGKYTZJDOFND-HKUYNNGSSA-N 418.611 1.586 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1589484130 RHTHVQPAORDIOM-XGHQBKJUSA-N 419.526 1.393 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1594115136 NKZUTMXVZYDCAW-SFHVURJKSA-N 416.551 1.702 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC#N)C(F)(F)F 1598395290 VQHDAIDIRVYOOC-LBPRGKRZSA-N 412.411 1.079 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1608103517 FIPRNPJYHBNSOS-UHFFFAOYSA-N 400.447 1.474 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1612600220 YNJFMYRFKCMPAG-UHFFFAOYSA-N 402.462 1.327 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614283797 WRBQINWCDHSUCU-OSJSJHBBSA-N 423.525 1.436 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1614856330 GDEXGXNVAPSNOU-MSOLQXFVSA-N 415.542 1.507 30 10 HDEE CCCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1614987254 BVHVMARIGCSLIQ-UHFFFAOYSA-N 407.522 1.955 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCn3c(nnc3-c3cn(C)cn3)C2)CC1 1620507363 JGXDVSZVBBBNTB-ZGOJQLDESA-N 410.526 1.814 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C2CCCCC2)C(F)(F)F)CC1 1623913839 QZYAZWGCUVFEMR-AWEZNQCLSA-N 410.462 1.292 30 10 HDEE CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1625242308 PPQTUZFELSRJCL-UHFFFAOYSA-N 415.343 1.188 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCCNc2ncccc2C#N)CC1 1625770794 XBOATHFKNGKYNH-UHFFFAOYSA-N 403.483 1.633 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCO1 1629586725 DVSOIQYKSPDOJM-CABCVRRESA-N 411.503 1.120 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1629737293 YQCIOYLMSIZYPH-UXHICEINSA-N 416.522 1.880 30 10 HDEE N#CCCN1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1632348720 FVCPOSUWLPSHBN-UHFFFAOYSA-N 418.563 1.682 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@H]3CCCN(S(C)(=O)=O)C3)CC2)OC1(C)C 1633534977 SGWOWFNGUZIILJ-AWEZNQCLSA-N 400.350 1.743 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@H]1c1nccn1C 1633679491 OOECPNHZTIFVLJ-IRXDYDNUSA-N 403.389 1.175 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)C1=O 1636119785 KYFYXIVTEJULMQ-OAHLLOKOSA-N 418.519 1.314 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1636338531 QGRZPHQABCXYCO-CHWSQXEVSA-N 409.936 1.420 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)s1 1636677977 YNKJKEAJRHCETJ-SECBINFHSA-N 422.397 1.430 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)C(=O)OCC 1636837784 JFIFVNAIWBMKAC-HYVNUMGLSA-N 412.508 1.037 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1637389019 ARDPIVUQMFCBAP-HOTGVXAUSA-N 410.515 1.087 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3c[nH]c4c(Cl)cccc34)C[C@H]1CS(=O)(=O)C2 1637399761 WNXAEWMTDGIUCE-UGSOOPFHSA-N 406.895 1.944 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1637715351 NPAIRWYVUMKINI-INIZCTEOSA-N 415.427 1.870 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OC 1638401096 GQWHOZWOLBKRRF-SFHVURJKSA-N 424.519 1.460 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2C 1639969146 UHRJQSGQEOBVMU-UHFFFAOYSA-N 412.446 1.329 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)cc1Br 1640110877 YJOYROLWALERKZ-LBPRGKRZSA-N 418.251 1.590 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1641583067 OWSNGGVGDGQDPD-KRWDZBQOSA-N 424.494 1.987 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)OC1(C)C 1643827444 LQTZGUQABITHFM-MRXNPFEDSA-N 421.328 1.801 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)NCC1(C#N)CCOCC1 1648678425 CGRCFKCPHZQGQW-MRXNPFEDSA-N 405.520 1.983 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1651547912 FMMDJJQWAVRGEZ-QGZVFWFLSA-N 420.429 1.499 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)N3CCOc4ccccc43)cc2C1=O 1651841167 PJPBXOKYSGGGEU-UHFFFAOYSA-N 405.410 1.624 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1654867699 HFTMGGZGXKVTGI-SFHVURJKSA-N 417.531 1.067 30 10 HDEE C#C[C@H](NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C)C1CCOCC1 1656100213 ZKKCIFMWXDYJQJ-INIZCTEOSA-N 414.549 1.690 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(c3ccncc3)CC2)c1 1657397693 KSPUKDBLBSSBFB-UHFFFAOYSA-N 400.504 1.945 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1658670496 HAIFQXAYUSJTMB-WOJBJXKFSA-N 418.582 1.733 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1659352934 WDODXLYKXUQJQM-GOSISDBHSA-N 421.563 1.612 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OC 1663616491 HTSZMHGRNYDILR-LBPRGKRZSA-N 404.872 1.494 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)c(OCCOC)c(Cl)c1)C(=O)OC 1663796312 GKGZYUALNYCYBL-ZDUSSCGKSA-N 410.275 1.862 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)C1 1666053558 SLYILEZCFHCFQT-HNNXBMFYSA-N 417.528 1.353 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)ccc2OC(C)C)CC1 1668437324 KQKUIWDOEIQPHX-UHFFFAOYSA-N 410.496 1.100 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1668498154 ACFVVWSRRRNJAY-KSZLIROESA-N 423.535 1.923 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1672932369 SMMXSFAMEJDHFZ-LPHOPBHVSA-N 419.547 1.659 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1672932370 SMMXSFAMEJDHFZ-QFBILLFUSA-N 419.547 1.659 30 10 HDEE C#C[C@H]1COCCN1C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543924 ZIEUZBSRYSTMPR-GJZGRUSLSA-N 401.467 1.318 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1689827085 ZLKRBDHREZGIGB-UONOGXRCSA-N 423.514 1.680 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(CC(C)C)CCO1 1689861256 RGLVUEUQKNZMOY-MSOLQXFVSA-N 402.543 1.215 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC 1690052311 FJPOOBLYGVOOCR-UHFFFAOYSA-N 424.530 1.293 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690358608 FVNPPAHXNAGPGE-KDOFPFPSSA-N 413.906 1.022 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1690609183 GIDLOHBYSBMDJV-OAHLLOKOSA-N 406.508 1.533 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1690661329 ZKXPULJZWGVUHV-UHFFFAOYSA-N 400.458 1.427 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nncn2C)C1 1690710601 USIQYKRZJPMZIW-OAHLLOKOSA-N 400.512 1.592 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1690715999 ZVLMVALBCQMLDJ-UHFFFAOYSA-N 411.572 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnc(C)s1 1690724497 QIJWOWJBKCITMS-CQSZACIVSA-N 411.553 1.784 30 10 HDEE Cc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693496481 ALDGFSCIQUKBOP-VRTBNJGNSA-N 400.483 1.508 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1697536551 FCOTXPJMFZJNHY-GDBMZVCRSA-N 403.508 1.833 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)C[C@H]1C 1705706194 QREYHIWDEGAAAY-QINHECLXSA-N 416.526 1.049 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N(C)CC(=O)N1CCOCC1 1705734334 LLZZGOHLGBUXHL-UHFFFAOYSA-N 402.499 1.171 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC=CO1)C1CC1 1705854302 JYQHRQLADRFJCF-DLBZAZTESA-N 423.539 1.459 30 10 HDEE C=CCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1705894102 YJNOOWYBCPDBKM-UXHICEINSA-N 402.499 1.602 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)[C@H](C)C1 1705987238 DIICUNOEUPQSCE-OXQOHEQNSA-N 424.505 1.679 30 10 HDEE CC(=O)NCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1706060702 BHMNZTGENBDSDI-MAUKXSAKSA-N 412.450 1.046 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSCCCO 1706746430 AIPWFADOXWLCRZ-KGLIPLIRSA-N 401.558 1.034 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)c(OC)n1 1711836750 CLWHWNYWNYXKFQ-UHFFFAOYSA-N 420.477 1.640 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1722321883 LKIPTLVGMXJCRA-UHFFFAOYSA-N 414.514 1.233 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1722372663 BXOSRUOWJHLQCP-INIZCTEOSA-N 424.530 1.799 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1722374654 ZUEDKWUQPYMMKN-QFIPXVFZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(CC)n1 1722391272 ZKBTURVPNGNBCT-CQSZACIVSA-N 420.564 1.418 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@]1(N(C)C)CCSC1 1722400984 HPMDQHDBOROGKK-OAQYLSRUSA-N 414.579 1.301 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1722414171 WYGBAKYTXAZHFD-QGZVFWFLSA-N 419.507 1.142 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)NCC=C 1722424903 DNTIIGGYWQSFJS-UHFFFAOYSA-N 406.490 1.825 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CC)N2CCCC2)CC1 1722429819 SSXAAFUPJHUNHX-GOSISDBHSA-N 401.559 1.046 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccc(C)n2)nnc1N1CCS(=O)(=O)CC1 1722506003 LGPYTDAXNJGQQB-AEFFLSMTSA-N 417.535 1.865 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722687417 YAHMTTWDRGEGIT-IBGZPJMESA-N 415.523 1.634 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 1722698187 WHQPGMJJHICXMQ-QGZVFWFLSA-N 408.506 1.947 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ccoc1 1723612023 HNNDSBQUJBHPMF-UHFFFAOYSA-N 420.477 1.651 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCO[C@@H](C)C1 1726404920 YDKSCXYCVJLFRG-SFHVURJKSA-N 424.553 1.681 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H](C)N1CCOCC1 1727605554 DZAWMWGMNLWAFF-QGZVFWFLSA-N 410.526 1.154 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1=O 1728594988 LDKCUGXLDLIKMR-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1730940904 ASGXQOXRDLPHKW-FJIDUMEYSA-N 419.526 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1740552971 POUZHPJISMCAPT-HOTGVXAUSA-N 415.519 1.667 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740565282 QGCMPTZWSHZXTM-QGZVFWFLSA-N 400.527 1.811 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCN(CC)CC1 1740633270 BUTULPNPIYTKHA-FQEVSTJZSA-N 415.545 1.916 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccco1 1740665788 PRZPGNUBCSIHAG-OAQYLSRUSA-N 418.461 1.881 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1740668173 FVGUJTUDASKHFN-IBGZPJMESA-N 420.517 1.859 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOCC)CC2)CC1 1740694750 SHLTYJXKKNGVQB-KRWDZBQOSA-N 400.527 1.191 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSCC1 1740738429 HJUHTPPFKKJRSZ-SNVBAGLBSA-N 410.363 1.350 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](C(N)=O)C1 1740738518 IRTLNVJWWSDVNB-CHWSQXEVSA-N 416.320 1.612 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1740799825 XSWOJMDFZSEJFK-MDKPJZGXSA-N 419.526 1.311 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1740881622 MHDSEZBLBIZMFI-UHFFFAOYSA-N 404.559 1.523 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1741652831 DLFMDYZLWBMAKQ-KKSFZXQISA-N 416.526 1.884 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)N(C)C 1741863712 YBQRNOAHCUNLBZ-AYBZRNKSSA-N 423.521 1.394 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)c1 1742364304 OMIGNGNLBWGCDZ-NQIIRXRSSA-N 413.478 1.700 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCC(=O)NC2CC2)n1 1742698934 AYGCPONKYYCZIO-HXUWFJFHSA-N 414.489 1.641 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCNC(=O)C1CCC1 1748690790 XWKVXIMPFGWKDO-SZMVWBNQSA-N 403.527 1.766 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1748772949 QPRSVNHGTMRTAE-OAHLLOKOSA-N 405.524 1.543 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1748811471 HPBJTWCBSRETQZ-SJORKVTESA-N 417.560 1.862 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1749627495 PPZFTXSXGUFTTI-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C(=O)NC 1749658180 HNLVNXOLOKOUKH-CQSZACIVSA-N 410.478 1.812 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCCC1 1750027348 KCUBEOQTARBBME-WMZOPIPTSA-N 418.542 1.484 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCO)CCN1C1CC1 1750387413 YIFYDZRHLJOQLK-QGZVFWFLSA-N 424.509 1.265 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2nncn2C)c1 1760128768 RQHGIDOKTALPAC-UHFFFAOYSA-N 404.478 1.779 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1760203262 ZDMBUCQSCHPXOC-SFHVURJKSA-N 412.515 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(=O)NC 1760221433 WBZPLXVVACJKNU-UHFFFAOYSA-N 417.517 1.752 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760248371 KADIEIDHVOQKPR-NWZZKEMCSA-N 401.511 1.256 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cc(OC)ccc2OC)CC1 1760270064 ICIUGYIXQCKIFT-UHFFFAOYSA-N 411.506 1.872 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1760465081 WIOOBNULNSGSOS-ZWKOTPCHSA-N 413.526 1.614 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](COC)C1 1760556298 ZBWOSBMTLRORLE-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1760565403 WOYVFMHYYKTEMG-INIZCTEOSA-N 420.583 1.889 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)CC1 1761547044 QOMZOYVVOXZKJA-KRWDZBQOSA-N 416.526 1.726 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(=O)(=O)CC)C1 1765167985 GQQHNNSFSWANPK-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1766672913 GLKMMOJTOSDTPI-INIZCTEOSA-N 407.496 1.904 30 10 HDEE COCCN1C[C@H](Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CC1=O 1769882037 HLTDBOQYASNPCD-GOSISDBHSA-N 423.521 1.499 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1770361147 FQJMMUTXJIFAPF-PEGYKEAPSA-N 416.463 1.493 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770753112 BRURSFGMRVYYKW-HOTGVXAUSA-N 415.498 1.638 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1771261842 LVWYOCSIKMLSFJ-KRWDZBQOSA-N 422.493 1.483 30 10 HDEE O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)ON1C(=O)c2ccccc2C1=O 1772792548 DCMZBRGFMCUWJK-UHFFFAOYSA-N 402.366 1.583 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)NCCn2ncccc2=O)CC1 1850717167 BPJRJAPQWCPPCO-UHFFFAOYSA-N 402.458 1.696 30 10 HDEE C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853955529 YOGGSHQQRRGJQW-YOEHRIQHSA-N 404.492 1.482 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OCCOC)cc2)C1=O 1854218657 IWYMBNZEVWHXAQ-RBUKOAKNSA-N 415.490 1.172 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@@H]1C 1854331594 KETHJPKPBKTGOG-PKOBYXMFSA-N 419.547 1.784 30 10 HDEE Cc1ccc(C)c(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854487640 KQRJWMSYYVXOJO-UHFFFAOYSA-N 419.503 1.519 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1 1854942117 WOQDVPQQRPFCAI-AEFFLSMTSA-N 414.506 1.755 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855141094 CWSBECRXMLXMBD-HNNXBMFYSA-N 419.503 1.529 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1 1856031744 FKVJRIAJWHPJGV-NHCUHLMSSA-N 410.518 1.876 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1856041079 GNYUSLWWMYJLJU-LJQANCHMSA-N 423.579 1.772 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1856456596 IMNLEPDICNBAIL-RDJZCZTQSA-N 411.849 1.896 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)cc1 1856649368 LGHPYXFMJLSCNC-UHFFFAOYSA-N 418.519 1.448 30 10 HDEE CN1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1=O 1856935172 AJSRVGIHZKUQLW-HNNXBMFYSA-N 402.882 1.559 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H](C)Cn4ncnc43)ccc21 1857026645 OEVMLYQYNDBLBX-ZDUSSCGKSA-N 415.475 1.505 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)c2ccncc2F)C1=O 1857051186 AEWRWKIBBLRIQY-LBPRGKRZSA-N 402.407 1.704 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857077062 ASSUXJFCGGAYRL-ZDUSSCGKSA-N 416.434 1.295 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857306384 RLRXTXGPHHAWGU-IBGZPJMESA-N 417.531 1.912 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccc(O)c(O)c2)c1 1862556784 FCKVRMHCZRXTCA-GOSISDBHSA-N 411.414 1.394 30 10 HDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c(O)c2)cc1OC 1862569656 RRKVTVRVVYZVRY-GOSISDBHSA-N 415.398 1.686 30 10 HDEE N#Cc1nnn(-c2ccccc2)c1NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1870155662 YVMVLYVPSVPEFK-UHFFFAOYSA-N 417.341 1.282 30 10 HDEE C=CCN=c1[nH]c(=NCCCCN2CCCC2)[nH]c(=NCCCCN2CCCC2)[nH]1 1871739981 BVICLJRHPVZISR-UHFFFAOYSA-N 416.618 1.311 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(CC)c([N+](=O)[O-])c2)cc2c(=O)n(C)c(=O)n(C)c21 1873598172 WQJGZLDWSXFOLL-UHFFFAOYSA-N 411.418 1.948 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2)CC1=O 1874274333 QOHPORYPHKGITF-YVJZOELXSA-N 400.508 1.852 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn4ccccc34)CC2)CC1 1889383948 YSQYHXJHJXHXRZ-UHFFFAOYSA-N 423.561 1.985 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC[C@H](COc4cc(C#N)ccn4)C3)cnc2s1 1891286596 HCBIXPJUPBKDMP-AWEZNQCLSA-N 410.459 1.657 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 1891735285 XIOHVVIUXACOEI-UHFFFAOYSA-N 418.457 1.897 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261273 NFWBHKPITAGWNF-PJSUUKDQSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](CN=c2[nH]cnc(N)c2C#N)C1 2025247192 JKSZWLXWUPCTKE-KRWDZBQOSA-N 423.521 1.886 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)N2CCC[C@@H](C#N)C2)CC1 2118169695 JFSYIADEHQGMEU-ZDUSSCGKSA-N 406.530 1.185 30 10 HDEE N#Cc1cc(Br)ccc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c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243328410 QEDDRRAGXDIMLG-AWEZNQCLSA-N 407.320 1.703 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2243392752 KEXUPWCPKZVBEC-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(C)OCCO1 2247896833 KYIJBFHBGCVKDL-UHFFFAOYSA-N 403.331 1.397 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248403134 BGWHMLOYOLVMDV-IUODEOHRSA-N 421.303 1.593 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(=O)O)Cc1ccccc1 2248593817 QNWZHTDNAMEREU-UHFFFAOYSA-N 413.283 1.755 30 10 HDEE N#Cc1sccc1CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2252599813 XAOVADIODCAQLO-AWEZNQCLSA-N 408.457 1.914 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267182744 IWZZNHFZAXJBTD-LLVKDONJSA-N 411.695 1.208 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](N)[C@H](CO)C3)sc2Cl)OC1(C)C 2281971367 VOXRCAATSQURHY-JQWIXIFHSA-N 400.737 1.482 30 10 HDEE C[C@@H](O)C1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282340756 JNJFXBHDTOUVNN-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C[C@H](O)C1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282347078 SLZNFDGCHRISTH-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC4(C3)C[C@H]4N)cc2Cl)OC1(C)C 2282413809 JWDWEVZLQHXVTC-JRKQCGKRSA-N 418.777 1.859 30 10 HDEE COC[C@@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495390 LSULHCQSKTYLPI-FZMZJTMJSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H]2CCCO)OC1(C)C 2282495744 QOBRHUQHMUBHFP-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2282828501 PEEXTRYPTVKPNL-STQMWFEESA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H](C(F)F)C2)OC1(C)C 2282841459 UWSRLPZKNJUAHT-SNVBAGLBSA-N 408.301 1.859 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)N2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282841806 PWMVOHHNYJYSQB-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCn3cc(Cl)cn3)s2)OC1(C)C 2282857644 KWGCXGUDALBLCH-UHFFFAOYSA-N 417.749 1.876 30 10 HDEE CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867059 SPDRRYDHUSFKJT-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE C[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300277075 TTWZUVNDOUSCBW-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303108699 JRGZVCUWCNTAJR-KGLIPLIRSA-N 423.319 1.417 30 10 HDEE COc1cc(Br)cc(C=Nn2c(C)nnc2SCC(N)=O)c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c2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2369898752 ZNZMKRTXXVUPFM-LBPRGKRZSA-N 400.737 1.648 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2372804311 MSWKODIVNODLAH-KDOFPFPSSA-N 404.529 1.810 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2372804313 MSWKODIVNODLAH-RDTXWAMCSA-N 404.529 1.810 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cc1 28645377 MMLKWXIZTGUMPS-YCABEKBOSA-N 424.457 1.284 30 10 HDEE CCCCCCCc1cn([C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@H]3[C@H]2O)c(=O)nc1N 138149191 AUUXQIVNYSIYOR-RGCMKSIDSA-N 403.372 1.113 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NC[C@H]3CCCO3)nc(O)c2[C@@H]1c1ccc2c(c1)OCCO2 256031720 HKUVCDLCUCLOCY-DVOMOZLQSA-N 423.429 1.768 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 437982631 FHGKOMCZMJOJDP-QFBILLFUSA-N 405.520 1.754 30 10 HDEE COC(=O)CC1(NCC(=O)Nc2cc(Cl)ccc2C#N)CCS(=O)(=O)CC1 439282502 VUKOOKCXTWEOQW-UHFFFAOYSA-N 413.883 1.250 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCC2CCC(C#N)CC2)cc1OC 441688725 MHPKENCJUYYCHF-UHFFFAOYSA-N 409.508 1.818 30 10 HDEE C[C@@H]1CN(c2ccnc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2)C[C@@H](C)O1 445257530 ZCHMSNSUZBSREK-IAGOWNOFSA-N 406.490 1.924 30 10 HDEE C=CCc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)cc(OC)c1OC 461300572 JFQKSAGAGVHWCA-UHFFFAOYSA-N 411.524 1.387 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)CC2)cc1 468872774 IWXQMURFGHGBFC-UHFFFAOYSA-N 405.458 1.573 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)c1cn(-c2ccccc2)nn1 472854391 SDZLEWWUUCSUNB-CVEARBPZSA-N 417.477 1.910 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@H]1COc2ccccc2O1 482899747 MZYUECQRIFAYGD-HOTGVXAUSA-N 408.462 1.798 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(Oc3cnccn3)CC2)cc1 486731663 ACEDXDUVRFIWPQ-UHFFFAOYSA-N 400.460 1.333 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cn(C)nc1-c1ccc(C#N)cc1 490356826 YTXHWZIOQDTMQQ-MKXGPGLRSA-N 408.458 1.884 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(OC)c1 493883510 PJTRZVBZQPJLFG-UHFFFAOYSA-N 418.475 1.490 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505002817 MQGCQMDQMOTQDC-UHFFFAOYSA-N 404.492 1.584 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 505742009 NARBUYTUFOHJMD-NRFANRHFSA-N 406.527 1.405 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Oc2cnccn2)CC1 508914791 UQOYGCHLEZHRPH-UHFFFAOYSA-N 406.450 1.949 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(Cc2nc(C)no2)CC1 508996584 OGODXYCTFRDNQV-UHFFFAOYSA-N 402.503 1.396 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 509010635 KAMVRFNWPJEERX-OXQOHEQNSA-N 422.533 1.929 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCN(CC(=O)N3CCCC3)CC2)ccc1Cl 515711546 WFMNOWLNDCRYMM-UHFFFAOYSA-N 410.927 1.530 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 522842237 MDPZFOHKRSATAK-GOSISDBHSA-N 415.538 1.532 30 10 HDEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 545284579 CIPYWTHXSXRIAP-ZDUSSCGKSA-N 404.891 1.933 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc2N(C)C1=O 586313566 KXSRGNNHZWJAPX-WFTMENRYSA-N 405.476 1.122 30 10 HDEE Cc1cc(C#N)cc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)n1 587024674 IVBVPGAMRZEUOX-UHFFFAOYSA-N 401.448 1.900 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@H]2C)cc1S(=O)(=O)NCC#N 587425848 VATYWTITMHZNMZ-RISCZKNCSA-N 405.398 1.589 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1cccc(Br)c1C#N)CC2 588118012 PBLIHKUTECPGPX-UHFFFAOYSA-N 423.292 1.644 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)c1 603677796 ZGAFELMQPPXCIZ-HXUWFJFHSA-N 410.449 1.973 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1 604906175 VDKFXJZINRSBPI-KRWDZBQOSA-N 406.508 1.656 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 609458578 GFAPIJWKICCEMT-MOPGFXCFSA-N 404.536 1.532 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H]2C(F)F)CC1 611180708 JEKGGRFOXSBBBV-HNNXBMFYSA-N 412.462 1.121 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 611546615 VVBOUUZSWGCGEU-UHFFFAOYSA-N 412.468 1.122 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 612193616 WIEVIEOBPHFOBS-GOSISDBHSA-N 417.490 1.870 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H](n2cncn2)C1 685533709 JVEWISXRCFKSLF-MRXNPFEDSA-N 413.507 1.968 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCOCC3)ccc2OCC2CC2)OC1(C)C 725400935 OESMUUSUIACIQN-UHFFFAOYSA-N 423.340 1.796 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1C1CCN(C)CC1 727418710 WKKZTPFMYLCZMW-UHFFFAOYSA-N 414.531 1.045 30 10 HDEE COCCNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](C#N)C2CC2)c1 731203893 ZUKXKQSWLIIWGS-AWEZNQCLSA-N 416.297 1.406 30 10 HDEE O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCCN/C(O)=C1\N=CC=CC1=O 732155796 GAMKVJITWFNECP-QZQOTICOSA-N 413.430 1.453 30 10 HDEE N#C[C@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)CCN1C1CC1 732681711 INPIEGJRWCODLT-KRWDZBQOSA-N 414.487 1.570 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc2c3c(cccc13)CC2 737305438 HYSYBYAMVRHCFS-FMQUCBEESA-N 404.426 1.520 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C 744143790 GMBMSRYIBZXFBC-CYBMUJFWSA-N 411.505 1.982 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)O[C@H]3CCN(c4cc(C)nn4C)C3=O)cc2C1=O 744457934 DWCSGYUUFMHAQS-INIZCTEOSA-N 408.414 1.473 30 10 HDEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 761679160 PTPPQBSMLZHZIN-MGPWXQLLSA-N 406.483 1.666 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)ccc1F 765288336 PPGYJCZAYGHTGF-GOEBONIOSA-N 409.483 1.421 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 774051224 YUPZTUMPQQFRMZ-OAHLLOKOSA-N 404.448 1.781 30 10 HDEE C#CCN(C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[C@H]1CCS(=O)(=O)C1 788300822 DVTWVBBEODGGSR-LBPRGKRZSA-N 404.897 1.398 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)n1 788815262 OCEMKIUCTSFOGU-OAHLLOKOSA-N 416.428 1.823 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCF)cc1F 797817840 FFGRVDAWGOEAOH-HNNXBMFYSA-N 414.478 1.803 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 806679946 OBBCVJPXUUNGDL-FQEVSTJZSA-N 420.517 1.449 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 807924000 XAXJXSWBVTZVEZ-QZTJIDSGSA-N 421.457 1.163 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)c(Cl)c2)N(Cc2cnn(C)n2)C1=O 807931092 OBSZEGASTZKPRC-ZDUSSCGKSA-N 410.862 1.875 30 10 HDEE COc1cccc(C=NNc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1O 1084658112 OEGDIMIQRJVIOB-UHFFFAOYSA-N 420.480 1.856 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1116458036 ZVGLNJNAIITZHS-ZBBYCGENSA-N 414.506 1.544 30 10 HDEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1 1124264585 YEZCIDWLKQLXOJ-CYBMUJFWSA-N 405.480 1.671 30 10 HDEE Cn1c(=O)c2cc(C(=O)Nc3cccc(OC(F)(F)F)c3C#N)cnc2n(C)c1=O 1129630234 FKNKBZNDIAQNAQ-UHFFFAOYSA-N 419.319 1.655 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC)[C@@H](O)c1c(F)cccc1F)c1cc[nH]n1 1137413754 INILDIRTOMWDHL-FZKQIMNGSA-N 424.404 1.600 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC 1140930246 QKAYTJDMGOGENA-DYVFJYSZSA-N 404.385 1.632 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccnc3c2CC(=O)N3)nn(-c2ccccc2)c1N 1141514994 KTPVPBMWZIWGIE-UHFFFAOYSA-N 401.430 1.578 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1146271749 UZMZRHJFPJNWKK-GOEBONIOSA-N 407.341 1.990 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1153856999 AWVWEKXGCQASPJ-QGZVFWFLSA-N 417.462 1.994 30 10 HDEE C[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H](C(N)=O)C1 1154942340 LPEZEZFHKOUVJJ-MQOXYSBPSA-N 404.511 1.886 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCCOC1 1176202789 PCPPRHNONPUVSF-SESVDKBCSA-N 418.513 1.566 30 10 HDEE C#CCN(C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)[C@H]1CCS(=O)(=O)C1 1191988094 WKWLWHNCSUQNTP-ZWOKBUDYSA-N 412.552 1.525 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc3c(c2)C[C@@H](C(=O)OCC)O3)nn1 1193475997 PYOGZCXDFIUFPU-KRWDZBQOSA-N 406.464 1.199 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@H]2CCN(c3sccc3C#N)C2=O)CCO1 1196553293 BWBFPYWFRGOKMF-YWZLYKJASA-N 421.519 1.784 30 10 HDEE Cc1cc(C)n(-c2ccc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2F)n1 1198543475 HROWECOQAYQXFL-UHFFFAOYSA-N 411.397 1.584 30 10 HDEE C#CC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2Br)CC1 1212286469 NQTGSWHQAUTEOA-UHFFFAOYSA-N 406.323 1.887 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1229292679 XSAMJXOCQJIZFD-UHFFFAOYSA-N 418.538 1.495 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CS(C)(=O)=O 1233853134 OCUIJJZUPLYTEC-STQMWFEESA-N 402.517 1.115 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1248675904 HTFSGDHGKZMRHD-QGZVFWFLSA-N 424.954 1.454 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC(C(=O)NCCCO)CC2)CC1 1253868359 WEFDWAZHSLDYEY-UHFFFAOYSA-N 413.522 1.447 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)C1 1256339112 CJUJHUCNNJTPQI-UHFFFAOYSA-N 407.515 1.253 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1286387758 UXJPIXZIHXHSAZ-SJORKVTESA-N 419.551 1.725 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NC(C)C)CC1 1286474174 DFOMXBZXHQAZDZ-UHFFFAOYSA-N 401.902 1.273 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2CCCO[C@@H](C)C2)CC1 1286491358 OHUWRXGJSUIVNC-SFHVURJKSA-N 416.570 1.307 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286505941 ODZAIEVSHJYNRP-JKSUJKDBSA-N 421.592 1.888 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286633800 MGQRXRVBSLVCGT-MRXNPFEDSA-N 408.934 1.627 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CC(OCC)C1 1286722959 WBQQGJIPGLZUJT-UHFFFAOYSA-N 424.505 1.744 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1288193425 IEIOMAVASCMRMV-KRWDZBQOSA-N 423.521 1.823 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1289239168 FIDPFKNNTDRKMG-LBPRGKRZSA-N 408.491 1.692 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291488993 WNNFPTHHECBHTP-KMJMQOOCSA-N 415.498 1.020 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@@H]1CCCO1 1296701376 NVBQMQMHLHTWCH-KBCNZALWSA-N 406.479 1.471 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CC#N)cc2)s1 1299898331 WMWZPWPUVWOVDM-UHFFFAOYSA-N 420.516 1.045 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1300509285 IYJYREHOALEAAO-KNBMTAEXSA-N 419.551 1.166 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NC)c1 1300512095 GOSWYQADQXCQFR-HSZRJFAPSA-N 421.501 1.411 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC1CC1 1300563833 OGSKQJBRVLYQNT-UHFFFAOYSA-N 406.446 1.842 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 1300634389 RTNWRTSLQCSHLF-KRWDZBQOSA-N 413.499 1.615 30 10 HDEE N#Cc1ccc(NCC(=O)NCCNC(=O)c2ccc(Br)cn2)nc1 1300713137 BOIYJWQMXDZAFH-UHFFFAOYSA-N 403.240 1.069 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300767115 RLYNUXOJWBHPHP-INIZCTEOSA-N 405.549 1.254 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 1301511357 UTYLTGBNQANLNP-KKSFZXQISA-N 406.527 1.994 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnnn2C)C1 1301544935 AZPYXBKPBOGWSQ-HNNXBMFYSA-N 400.874 1.952 30 10 HDEE N#Cc1cncc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 1303864385 UONBNWCLKDYKCI-RDJZCZTQSA-N 420.878 1.047 30 10 HDEE C=CCn1ncc2ccc(NC(=O)CCNS(=O)(=O)c3cn(C)c(C)n3)cc21 1304216412 JXTYYGGDDHSRGB-UHFFFAOYSA-N 402.480 1.571 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCS(=O)(=O)C(C)(C)C)o1 1304324967 FAJUYXMJKOXNGG-CQSZACIVSA-N 407.496 1.789 30 10 HDEE CCc1nc(CCn2c([C@H](C)OCCOC)nnc2N2CCC(C#N)CC2)no1 1306014244 IMGZEOURINTCTH-AWEZNQCLSA-N 403.487 1.930 30 10 HDEE Cn1cc(-c2cc3c(nn2)CCN(CCS(=O)(=O)c2cccc(C#N)c2)C3)cn1 1307972714 SVIRNRGUHYOAQF-UHFFFAOYSA-N 408.487 1.581 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1309493858 LYFCACHXCXASHO-MRXNPFEDSA-N 416.565 1.775 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1316538873 BFCRIDJHAKZLKW-SFHVURJKSA-N 417.473 1.334 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CCO1 1316539663 FPJLGFXRMSTXLZ-GDBMZVCRSA-N 421.910 1.611 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)c3cc(C#N)c(SC)nc3O)C2)n1 1328857153 AHVBJASNOHBIQI-SFHVURJKSA-N 403.464 1.536 30 10 HDEE CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1352019156 MRYVICCBUXJZMQ-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1358913556 QWSOYHSIXNOZGS-OWCLPIDISA-N 413.519 1.209 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ccc(NC(N)=O)cc1 1359022203 QVKBADXFKDFQKX-UHFFFAOYSA-N 407.478 1.909 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1359133274 OLGHIMLNLXFVLW-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1359205112 MGDSODZJJSZKFJ-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@H]1CCOC1 1359293133 IEURLVJPIITZEO-LBPRGKRZSA-N 409.288 1.563 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)c1nccs1 1359303705 YDXKAMSXAFHGPQ-CQSZACIVSA-N 417.539 1.399 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359333039 MWPJPUAQVLPYTQ-IBGZPJMESA-N 409.556 1.184 30 10 HDEE N#C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1440866532 KNYIGTRQBMVSHU-JKSUJKDBSA-N 411.842 1.499 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 1445681607 ACXUWUZVCOIEBZ-UHFFFAOYSA-N 417.425 1.289 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(C(=O)NCCCO)CC1 1445945335 UTDDSPBSBFGZSW-INIZCTEOSA-N 410.515 1.311 30 10 HDEE CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1469901338 QSSPINZDFNQYNW-IBGZPJMESA-N 424.505 1.543 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(c2ncc(I)cn2)CC1 1470934570 LJGHFCROVRYYTG-UHFFFAOYSA-N 415.279 1.238 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1COc2cccc(Br)c2C1 1471441383 ZLEFYXULUCDTPK-PVAXWEITSA-N 420.263 1.785 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H](NC1CC1)C(F)(F)F 1472630960 QYVOXKFFLWZWFC-CQSZACIVSA-N 418.441 1.304 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1 1475415640 HGFYIZKQBHPKNN-VBNZEHGJSA-N 415.462 1.880 30 10 HDEE C[C@H](c1ccncc1)N1CCC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1478264841 ZRDXPPNZVNJNPE-CQSZACIVSA-N 423.477 1.007 30 10 HDEE N#CC1(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCOCC1 1478528409 PLXJQIAIKVXOIW-UHFFFAOYSA-N 414.915 1.628 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)NCC1(C#N)CC1)C2 1478543436 IOBWGNWISVBDKP-LAPQFRIASA-N 406.483 1.778 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)NCC#C[C@H]1CCCCO1 1478597563 ZGKFDZDYRBYSMK-MRXNPFEDSA-N 413.927 1.798 30 10 HDEE CC[C@@H]1[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCN1CC(=O)NCC#Cc1ccccc1 1489125220 QKGDKEAGEKWPLY-CJIGKZKRSA-N 421.541 1.547 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOCC1CCOCC1 1503670765 ZELVUHGZVKSPIZ-SFHVURJKSA-N 414.510 1.846 30 10 HDEE COc1ccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cc1 1504167948 KQXXHIBCDGOODG-UHFFFAOYSA-N 415.475 1.947 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1505073854 WPPLAIOPIDBZSC-JZJQHEAOSA-N 420.489 1.359 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1507637533 QVYOEBQAVUABAT-UHFFFAOYSA-N 419.489 1.257 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H](O)C1 1507704276 WEFMPFGLOJZIKG-DXIQSLLYSA-N 420.554 1.956 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)cc1 1507712724 NDKQKYAYCAHGDI-SFHVURJKSA-N 410.478 1.322 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@H]2CCOC2)CC1 1507738352 NYQWECYZUMMSOT-INIZCTEOSA-N 409.494 1.128 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1507843131 IHQLNGHPSPWMDK-IRXDYDNUSA-N 412.494 1.875 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1507865577 DGCFZSYIYJTPMQ-GJZGRUSLSA-N 421.933 1.799 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1507946179 PEGRIMJVUIDMSM-HNNXBMFYSA-N 421.505 1.825 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1507957760 KBKPRHYCEPPUEJ-AWEZNQCLSA-N 417.601 1.813 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(O)CCSC2)C1 1508118091 WMPLPAGAUYOYGP-LSTHTHJFSA-N 424.567 1.580 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1508143053 IXMFLVAFPRRAMI-UHFFFAOYSA-N 421.567 1.280 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1514806153 SSZFKADICKPOBZ-UHFFFAOYSA-N 407.478 1.154 30 10 HDEE CCSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1516926489 OUNGMNMRQNRZEQ-ZDUSSCGKSA-N 400.574 1.771 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1ccnn1 1519294755 KSTXWVOKNSKMIK-QFBILLFUSA-N 402.503 1.814 30 10 HDEE CON(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N1CCSCC1 1519466773 UHQWNHPCKMZBDX-UHFFFAOYSA-N 422.536 1.193 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1522176269 SPBLJPJNNWFLIZ-MOPGFXCFSA-N 403.504 1.809 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1531591355 HPNRSNJCWNYGBO-OSAQELSMSA-N 412.309 1.878 30 10 HDEE C#CCCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1537448422 UAZVHSLCMRFSRP-BATSVXPKSA-N 419.499 1.718 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539223249 ZVLBFROOUIUEFK-AEFFLSMTSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(C)CC(F)(F)F 1539260667 TWDPQRNICKJXEE-UHFFFAOYSA-N 422.411 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1539266203 NNUIBIGXCJQMGD-GCJKJVERSA-N 424.526 1.087 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1539318013 KTOMWJPSRFZDKG-MRXNPFEDSA-N 412.881 1.820 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1C[C@@H]1C 1539408769 CCHKECKFANQFKU-JKSUJKDBSA-N 406.490 1.934 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1539414639 XPGWNPFXYSZQPP-KRWDZBQOSA-N 416.526 1.108 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(N(C)C)c(F)c2)CC1 1539446971 MIWYWHMEYRLJLT-SFHVURJKSA-N 412.513 1.791 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539999150 BBNKOWCJFQCJNR-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1 1540873730 HXAPEJBEWTVVPZ-MRXNPFEDSA-N 418.542 1.487 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1541693457 CBHOKKXJFMTFIN-KRWDZBQOSA-N 423.521 1.692 30 10 HDEE CCN(CC)C(=O)CN1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1547416499 UPKJCQMQMHPMGQ-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccccc2Cl)CCO1 1555993026 GTKIRKHKRXNKSN-HOCLYGCPSA-N 400.870 1.854 30 10 HDEE N#Cc1cn(CC(=O)Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)c(=O)nc1O 1557875961 HMWZECQFLKZIRN-UHFFFAOYSA-N 422.348 1.997 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)[C@H](CC#N)c1ccccc1 1558950760 GVUISQXRHHFXFF-GOSISDBHSA-N 401.488 1.613 30 10 HDEE CC(C)(C)C(=O)N1CCC(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)CC1 1559415629 AZYFFPNOWSPXFP-UHFFFAOYSA-N 400.523 1.837 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F 1561406666 HWMFQQWIOFBMAF-UHFFFAOYSA-N 413.876 1.535 30 10 HDEE CCN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H]1CC(=O)NC1=O 1583782466 BRWTUZVWPQWCML-SWYHEXNPSA-N 404.467 1.037 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)n1 1584358045 KRFGKOBTCYURIO-UHFFFAOYSA-N 401.224 1.776 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CCCC(=O)NC 1587857514 ZSXWKLCUYAAZBP-UHFFFAOYSA-N 424.553 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCOCC1 1588604500 KENCMVSFNCHTDF-UHFFFAOYSA-N 405.886 1.621 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)c2cccc(OC)c2)CC1 1594091335 YLHKWHNHSPSCQW-SFHVURJKSA-N 424.505 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](CC)C1 1595785389 YZYAKQOGEHVDJL-JKSUJKDBSA-N 407.540 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1C(C)(C)C 1595830855 IQSYKJLFWQIKIR-UHFFFAOYSA-N 411.572 1.624 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@H](C)C1 1596751559 KCBBQPITBNRKIR-MRXNPFEDSA-N 412.494 1.870 30 10 HDEE Cc1c(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cnn1-c1ccc(O)nn1 1596979242 YBNSUCXEWSBBDK-OAHLLOKOSA-N 404.434 1.660 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1598063175 RSMJYAKDKNIJQY-UHFFFAOYSA-N 423.521 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2[C@H]2CCCOC2)s1 1603345325 DLNHNJSEWQLYGE-ZDUSSCGKSA-N 410.521 1.942 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C[C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1611251442 CHEAEJBVEMVHGF-DYESRHJHSA-N 408.543 1.831 30 10 HDEE C#CCN1CCN(C(=O)CSc2ncc(CO)n2Cc2cccc(F)c2)CC1 1613845082 SQQSUMMAJDGDAP-UHFFFAOYSA-N 402.495 1.432 30 10 HDEE CCO[C@@]1(c2nnc(N(CC)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1616169357 JSGOXHUOTZFIMW-NIQRWSHPSA-N 418.498 1.303 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C)[C@H]3CN(C)CCN3C)ccc2c1=O 1618099210 PEIKXHBSZLHQLB-CXAGYDPISA-N 401.536 1.235 30 10 HDEE C#CCC1(NCC(=O)N(CC)c2c(O)nc(=O)n(CCCC)c2N)CCCCC1 1620611946 NMWCMWKRULEFEQ-UHFFFAOYSA-N 403.527 2.000 30 10 HDEE N#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1627542711 BMRVRAWDFJVNJF-ZDUSSCGKSA-N 423.878 1.312 30 10 HDEE C#CCN1CCCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 1628354451 GTGBVZWOGVCRPN-HSZRJFAPSA-N 408.502 1.543 30 10 HDEE C=CCNC(=O)CNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1631619568 SJDPZCPUYZVCHK-HXUWFJFHSA-N 423.469 1.304 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NC3CCOCC3)C2)c1 1633459252 ZTDZICWAQMBOLS-LJQANCHMSA-N 404.532 1.857 30 10 HDEE C=C[C@](C)(O)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634740952 GBQHLUYVKAMAOZ-CJNGLKHVSA-N 417.325 1.655 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1636327883 GXAOSQANIRQHMX-BBRMVZONSA-N 415.462 1.572 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1637697824 XTMWIVYZTWZODH-HIFRSBDPSA-N 408.401 1.821 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)C2)nc1 1638906404 RUFRQVJJSKBTRH-KURKYZTESA-N 409.490 1.921 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCC1 1639354096 LGVAVEGBIKFPCN-AWEZNQCLSA-N 406.464 1.806 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2([C@@H](C)NC(=O)OC(C)(C)C)CCOCC2)C1=O 1639593713 AFCAFMCBAOQCBM-HZPDHXFCSA-N 409.527 1.942 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)c1 1640455985 UKIHRIFEEJWALO-UHFFFAOYSA-N 414.487 1.380 30 10 HDEE Cc1ccc(CN2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1644001643 FRQKKDANYHKITB-IBGZPJMESA-N 412.515 1.536 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1645542005 ZJWPLBWSHNEDBH-UHFFFAOYSA-N 423.535 1.991 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1645711076 BUUFVQVAVSALIF-BBRMVZONSA-N 417.491 1.398 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1 1647966717 LUGLERUHESJRHP-UHFFFAOYSA-N 407.492 1.385 30 10 HDEE Cc1c(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn2c(C(F)(F)F)nnc2c1C 1652264677 VWMJQDHFLCAJLU-HZMBPMFUSA-N 400.386 1.135 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)CC1 1652325322 PPAUESPGOHHTOD-MSOLQXFVSA-N 420.554 1.832 30 10 HDEE N#Cc1cnc2c(Cl)cccc2c1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1655002213 PDJBMYAUJNJNLS-UHFFFAOYSA-N 411.849 1.557 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 1659613970 ZRTLTRCVKHYXPP-HNNXBMFYSA-N 402.476 1.721 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)CC3(CC#N)CC3)C2=O)c1 1662634050 FJHICFITJPEBMP-QGZVFWFLSA-N 407.492 1.765 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 1666340446 RSIKBAAXEWMHCQ-UHFFFAOYSA-N 413.565 1.093 30 10 HDEE C#CCC1(NC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)CCOCC1 1683580443 YSZHKLGNMXAHIE-MRXNPFEDSA-N 405.470 1.611 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)n1 1685411560 JTGOPYHLKPHBFC-HUUCEWRRSA-N 402.480 1.331 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC1(O)CCC1 1689965733 CBPDMTJAESFWTR-INIZCTEOSA-N 419.526 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C(C)C 1690034871 UZRMJTITTDOPHC-OAQYLSRUSA-N 401.511 1.165 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1690106076 JLKDLSCPWDDCDD-KRWDZBQOSA-N 417.510 1.030 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1690249378 XLSCJCHRXMPZGK-LZJOCLMNSA-N 410.522 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690253213 NUPXOBQXRMOXBF-BQFCYCMXSA-N 412.556 1.809 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1690266080 ZUPJLEOFENNUDH-MRXNPFEDSA-N 424.527 1.358 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N(C)C(C)=O)CC1 1690725081 FBCGBXNLKDEXSF-UHFFFAOYSA-N 411.572 1.525 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CCO1 1690963597 CVLWRAQDESLGIM-IBGZPJMESA-N 421.461 1.118 30 10 HDEE CC(C)c1nnc(N(C)C[C@H](C)C#N)n1CCS(=O)(=O)N1CCSCC1 1690992887 AXKMLHIXVXCQJM-CQSZACIVSA-N 400.574 1.376 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692845683 HKGHEBHHRSAUPK-UZLBHIALSA-N 414.535 1.829 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1695344423 OQKXIXVWSFPGJK-QGZVFWFLSA-N 407.478 1.993 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1697893666 KILACECNORAGPM-OTWHNJEPSA-N 413.478 1.208 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)CC1=O 1698074663 DLQWXXBXLRKDDC-WMZOPIPTSA-N 424.505 1.537 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1698318298 YFJFDQBXTOGIKK-HNNXBMFYSA-N 424.914 1.267 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1705505884 PGKMVVNDZBZOSO-CABCVRRESA-N 404.515 1.896 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1705606725 DIPKBLWWNXJAKK-UHFFFAOYSA-N 420.495 1.641 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCSC(C)C)CC1 1705648020 OZVOLNRDHXFBHG-UHFFFAOYSA-N 415.567 1.786 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCOCC2)C1 1705652281 UPMAWZMQKCJWTL-UHFFFAOYSA-N 423.608 1.885 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705724485 QQHWSDPHBMIVBT-UHFFFAOYSA-N 410.526 1.446 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@H](C)CC 1705844039 UTIBLNURNZVZKJ-RVKKMQEKSA-N 415.560 1.030 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1705847684 BTDGBQFKCLZNTI-BETUJISGSA-N 403.491 1.243 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1NC(=O)CC1(C)C 1705879864 NMSKHXQLQLUBHY-HNNXBMFYSA-N 404.515 1.068 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nccs2)C1 1705900301 YIAMWUSRIJUUNY-HNNXBMFYSA-N 411.491 1.677 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(C(C)C)CC1 1705906651 LKQQJHXHDAAMNS-UHFFFAOYSA-N 412.538 1.998 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1 1712505776 VNPXLOWXDKCYJK-APWZRJJASA-N 423.521 1.282 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1712595328 AIZBOBKZSVMCBL-SFHVURJKSA-N 408.466 1.350 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCCCCO)cc1 1712879946 RQAQOGZAFGVGOR-GOSISDBHSA-N 409.494 1.583 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1722360290 FZLOFPWVUAXWIA-KRWDZBQOSA-N 412.475 1.312 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722447657 LDLVYKGKICMALU-QGZVFWFLSA-N 412.538 1.380 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1c(O)nc2ccccc21 1722449989 XJKWWLNNQPGBAU-INIZCTEOSA-N 423.477 1.071 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC 1722466688 CILASBGIUWGBHL-FOIQADDNSA-N 417.535 1.937 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1722863911 NJDREQWTKCCSFH-HNNXBMFYSA-N 424.509 1.828 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)C1CC1 1723184980 ADTNFXQYGKXPSG-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE Cc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)sc1C 1724087751 DDZOBFJXDREYAN-GUYCJALGSA-N 424.527 1.744 30 10 HDEE Cc1ccccc1CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1724720180 CTUZQBFIBWORBN-QZTJIDSGSA-N 415.519 1.460 30 10 HDEE C[C@@H]1C[C@@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726485507 HNXUSGRVVPGURL-PBHICJAKSA-N 400.508 1.869 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC1(O)CCC1 1729069044 CTISCTXTQOBIOC-UHFFFAOYSA-N 411.510 1.713 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@@H]1CCOC1 1729349885 PGLLYYXCOKTIQX-QGZVFWFLSA-N 415.519 1.867 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCO[C@@H]2CCOC2)C1 1731181087 FOEYVPCEQFKKJP-YLJYHZDGSA-N 400.458 1.901 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@@H]2CO)CCO1 1731186997 IIPQVUWYRZWLSM-FGTMMUONSA-N 404.515 1.095 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1740580619 DTQYHTBAGWUZKI-CVEARBPZSA-N 424.571 1.043 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740594546 PVEMEFGJILMQDK-UHFFFAOYSA-N 424.553 1.260 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740624447 IXKIVNYCYJGJQK-GHTZIAJQSA-N 420.579 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCN(C)C1 1740659427 VSYITZLLSBQSNC-QHCPKHFHSA-N 407.518 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)NC2CC2)C1 1740969815 BPJKTYSALBHTOG-QGZVFWFLSA-N 416.526 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCCO1 1740990300 PZAWFVSRCYSCBX-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1741097183 BUXGWJYDKULJAN-SFHVURJKSA-N 424.505 1.606 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@@H]1CCOC1 1741123733 ITFLGOOEIOKHPZ-HZPDHXFCSA-N 413.482 1.717 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCOCC2)C1 1741983461 BWFWFXNNWOJYCS-FQEVSTJZSA-N 410.482 1.114 30 10 HDEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CCC(C#N)CC2)c1=O 1746366145 WCRKKYLNJALGKY-INIZCTEOSA-N 414.510 1.972 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1748765623 NUYDLJQFPCDPQR-INIZCTEOSA-N 423.477 1.205 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCNc1ccccn1 1748825074 OWTOLBDJANEWAN-UHFFFAOYSA-N 414.473 1.895 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@](C)(O)C1CC1 1748957200 YBCVUMKEIGXTRF-QFIPXVFZSA-N 412.490 1.963 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)N(CC)CC)CC1 1748994372 FCOOHWJOOZYUGQ-FQEVSTJZSA-N 412.586 1.625 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749229995 SIZFBRBJNKMAFA-GOSISDBHSA-N 414.510 1.769 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CCO1 1749547114 LCIJEUQPCIRHGG-GOSISDBHSA-N 401.467 1.067 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1750104277 HLNANCHIZZSNQU-QGZVFWFLSA-N 412.494 1.572 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCSCCCO)C1 1751276011 BWEDOUHOIRWLNY-IBGZPJMESA-N 406.556 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1760109763 DPQVYYSIOSOIHD-HNNXBMFYSA-N 405.462 1.719 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(CS(C)(=O)=O)c1 1760174621 OAWMUWCVXOYEAD-UHFFFAOYSA-N 409.515 1.926 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC 1760209861 JBZSAHVCKJNINF-UHFFFAOYSA-N 417.560 1.501 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(C)C)c(F)c1 1760218123 YBQJVKHAJVONED-GOSISDBHSA-N 408.481 1.946 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760356778 WWRRQLFSBSZEKO-GJZGRUSLSA-N 417.470 1.091 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1760453300 ZXOXLZCYDVELNY-SFHVURJKSA-N 413.526 1.543 30 10 HDEE C=CCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760513015 GNIXEBSUPDRYIY-RXVVDRJESA-N 404.559 1.332 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@](C)(O)C2CC2)C1 1760537808 QLAYBADZRSHHQY-UIFIKXQLSA-N 406.527 1.873 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)C)CCO1 1760666533 HUBCHEHCMOZNRY-IBGZPJMESA-N 412.494 1.583 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1768909786 SJQJJIXRCGOHQF-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@](C)(C#N)C2)n1 1769084977 SRZVFFGHTCXVOU-IBGZPJMESA-N 413.436 1.849 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)cc1 1770087334 SSEFKGVBDJKNTQ-SFHVURJKSA-N 422.445 1.592 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1771187936 KANFFPYHDGGYPH-FOIQADDNSA-N 417.489 1.953 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1771298121 KSSYWVMDQGVKLQ-KEYYUXOJSA-N 414.466 1.217 30 10 HDEE COCCS(=O)(=O)c1ccc(CC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788370 QSMPBOYNXLNJRD-UHFFFAOYSA-N 403.412 1.404 30 10 HDEE CCc1nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)c2c(n1)c(C)nn2C 1850991900 XZEVVEBEYPYLOY-UHFFFAOYSA-N 403.490 1.997 30 10 HDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)COCc1ccncc1 1851792116 CTCZOKJJKCTLIN-UHFFFAOYSA-N 421.910 1.945 30 10 HDEE COc1cccc(C#N)c1OCC(=O)NC1CCN(c2nccn3c(C)nnc23)CC1 1852649110 CQQNNELNKXJENT-UHFFFAOYSA-N 421.461 1.477 30 10 HDEE N#C[C@@H]1CN(CCCC(=O)Nc2ccc(I)cn2)CCO1 1852747788 QAACTNKTHYJAAT-GFCCVEGCSA-N 400.220 1.629 30 10 HDEE COc1ccc2c(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)cc(OC)nc2n1 1852855206 QGVRTIJQXPKZBR-CYBMUJFWSA-N 407.386 1.891 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 1852968855 OIACHHHGCRYSOL-SFHVURJKSA-N 411.955 1.955 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CCCN2CCn2cc(C#N)c(O)nc2=O)c(Cl)c1 1853216539 HSRKOXDMZLKCPX-INIZCTEOSA-N 401.854 1.886 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1853676379 JMELUMVXDSYLCZ-QZTJIDSGSA-N 416.522 1.015 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)[C@H]1C 1854143233 ZWMHAQNPPDCXGJ-CYBMUJFWSA-N 416.434 1.463 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1ccnc1 1854340681 CWFCSSQGISXUCI-CRAIPNDOSA-N 408.462 1.382 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1854632629 JCBIXKAXYBHLQU-HNNXBMFYSA-N 412.471 1.632 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1854828212 QSJYQHLKQORIKC-NVXWUHKLSA-N 416.547 1.752 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cnn1-c1ccccc1 1855073966 KLVPEZYSEBNEQP-LJQANCHMSA-N 406.490 1.453 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855596289 HVKAJLIVTOUSIT-QZTJIDSGSA-N 423.579 1.608 30 10 HDEE COc1cc(N(C2CC2)C2CCN([C@H]3CCCN(C(=O)CC#N)C3=O)CC2)ncn1 1855791712 ZDOIRMFZEQTKHW-KRWDZBQOSA-N 412.494 1.350 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(CCC#N)[C@H](C)C2=O)c1 1856196861 DBHCMEBWQXIHRK-SJLPKXTDSA-N 418.519 1.121 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1856266104 FZCMQAFKTLTADA-DLBZAZTESA-N 409.552 1.240 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)CCS(=O)(=O)c3ccccc3)C1=O)CC2 1856540680 PHHKJIKCFMMACN-SJLPKXTDSA-N 415.515 1.604 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3cn(-c4ccncc4)nn3)C2=O)CC1 1857197966 XXNJBZABTYJTJN-LJQANCHMSA-N 407.478 1.809 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857236315 DEZSNJCZHQPIGT-LPHOPBHVSA-N 415.490 1.168 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3cccc(-n4cnnn4)c3)C2=O)CC1 1857247058 MCDZXOXEPLSFAL-IBGZPJMESA-N 407.478 1.809 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccccc2F)C1 1861199093 ZGEJXRSJYUPSLJ-SJLPKXTDSA-N 404.486 1.090 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCc3cccnc3)ncnc21 1875228697 ZVSORZWHAZUXPU-UHFFFAOYSA-N 419.489 1.962 30 10 HDEE Cc1ccsc1S(=O)(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889437235 LRHCTNBCONGTLM-UHFFFAOYSA-N 411.593 1.477 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#N)cc1N 2108230296 IMLGHKFSDCOZMQ-LJQANCHMSA-N 416.434 1.907 30 10 HDEE C[C@](CC(F)(F)F)(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)C(=O)O 2180580456 DMGUCHQFDBUMTI-HTQZYQBOSA-N 406.201 1.898 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@](CO)(C(F)(F)F)C1)C(F)(F)F 2180827296 DPPAQVKGHQIBMI-RKDXNWHRSA-N 404.229 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2181217016 SVLAPOSCKZRCRC-GJZGRUSLSA-N 402.517 1.082 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CNCCN2Cc2ccccc2)c(Cl)c1 2205553836 CSYXIGSVKRFBJQ-KRWDZBQOSA-N 404.923 1.964 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)C2CC(B3OC(C)(C)C(C)(C)O3)C2)C1 2243386379 ZEISWPYZEBAXPP-UHFFFAOYSA-N 410.320 1.957 30 10 HDEE Cn1nc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2243422350 BZIBLCXEBGYJEC-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243430255 ONFCYLFPZMCTTQ-UKMLZYKCSA-N 406.288 1.418 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247923139 STVQCPKZROYJQA-CQSZACIVSA-N 418.303 1.515 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258164778 XPULIPNIGLAZDM-IRXDYDNUSA-N 408.476 1.477 30 10 HDEE C=CC[C@@](C)(NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)F 2258186148 ZDSATQUWPQRNSI-CXAGYDPISA-N 420.434 1.885 30 10 HDEE Cn1ncc(NS(=O)(=O)c2ccc(F)c(C#N)c2)c1I 2280044172 KCFYGFBAVWJQOG-UHFFFAOYSA-N 406.180 1.836 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@](N)(CO)C3)c2Cl)OC1(C)C 2281947795 WVGVNRBKVXONOG-QGZVFWFLSA-N 400.737 1.627 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2281993461 BFWNTXJJXXDLQP-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@H]3CCCS3(=O)=O)ns2)OC1(C)C 2282007056 ZGPLEAFSTBBLIT-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](C(F)F)CC3=O)c2)OC1(C)C 2282337449 LJJBSRHIWKLDRO-SECBINFHSA-N 407.269 1.850 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CN 2282343948 IVWNSDLREPFBIO-LBPRGKRZSA-N 400.375 1.653 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@]1(C)CO 2282348188 IKBMTCADMFCLIU-YVEFUNNKSA-N 401.359 1.686 30 10 HDEE C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504392 ODBHNQJKYMAQTI-LLVKDONJSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](CO)CC2CC2)OC1(C)C 2282505971 LPQNSOZVPSDKSU-AWEZNQCLSA-N 401.359 1.628 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1C1OCCO1 2282602527 UEGHKRMGRRSUTK-OAHLLOKOSA-N 405.304 1.570 30 10 HDEE CN(CCO)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282611329 JWTAUJIRJZLAFL-UHFFFAOYSA-N 402.753 1.697 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOC(F)(F)C1 2282836860 PYLVPGUEPXGQIU-UHFFFAOYSA-N 409.285 1.969 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CCN 2282850604 QYVUKVUVJWKNBT-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE COCCc1nnc(S)n1N=Cc1c(C(=O)O)n(C)c2cc(OC)c(OC)cc12 2321888276 XZGZEVMNGOZEMO-UHFFFAOYSA-N 419.463 1.845 30 10 HDEE COCCn1nc(Br)nc1N1CCN(Cc2ccccc2)[C@@H](C#N)C1 2328419535 IYNXMYQLSFLIMV-HNNXBMFYSA-N 405.300 1.901 30 10 HDEE Cc1cccc([C@H](C#CC(C)(C)S(C)(=O)=O)NN)c1I 2365180640 SLUHGRAFFHIHPV-LBPRGKRZSA-N 406.289 1.931 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365205577 BSGFOILENLJZDF-ZRGWGRIASA-N 402.557 1.681 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1 2367795443 DWNQSPLLLSHVSV-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCCOc1c(OC)cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc1[N+](=O)[O-] 169897817 QPGUMNUVLFOHNS-GRSHGNNSSA-N 405.411 1.765 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C1 219950218 GHCKHUJGIPXXSN-CYBMUJFWSA-N 404.386 1.761 30 10 HDEE N#Cc1ccc(N2CC[C@@](O)(C(F)(F)F)C2)nc1N1CC[C@](O)(C(F)(F)F)C1 302873138 CUKWMASYRKEAHI-UONOGXRCSA-N 410.318 1.960 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(C)C 410076487 ZBUVHLFTOOALPH-KDOFPFPSSA-N 412.508 1.204 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCc2cc(C(N)=O)co2)CC1 430237433 JEFCUSPLLLYRDQ-UHFFFAOYSA-N 404.430 1.830 30 10 HDEE C=CCN1C(=O)N(CCCN2CCC[C@@H]2C(=O)N(C)C)C(=O)[C@@H]1Cc1ccccc1 431148970 GEWJPKJYJRWNSD-UXHICEINSA-N 412.534 1.991 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)CN(C)C 443225045 KJJWYMITROSQKV-INIZCTEOSA-N 421.567 1.550 30 10 HDEE CCO[C@H]1C[C@](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)(C(=O)OC)C1(C)C 444559963 COJPGRXOIXRADB-KKSFZXQISA-N 411.462 1.803 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)CC2)c1C#N 472051494 GXZUXLVKDGAALR-UXHICEINSA-N 407.522 1.877 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 475748020 FBWNPRNSRFKLFL-RDTXWAMCSA-N 404.854 1.636 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 481235209 RENBPVKUBSKMAX-HNNXBMFYSA-N 420.535 1.332 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nccn3CC(F)(F)F)C2=O)cc1 486513794 CQZMEXDTDITDTB-OAHLLOKOSA-N 420.395 1.917 30 10 HDEE COCCN(Cc1ccc(Br)s1)c1c(C#N)c(=O)n(C)c(=O)n1C 491864858 GKGSSXYLXZQRBZ-UHFFFAOYSA-N 413.297 1.433 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccc3C)CC2)c1 500647869 BNIYHRRICLOYBB-UHFFFAOYSA-N 400.504 1.817 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1c(C)nc(O)c(C#N)c1C 504025592 RKKUCSZSNOISAB-UHFFFAOYSA-N 414.487 1.706 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cnn(CCC#N)c1-c1ccccc1 506588541 LYWOCTFUYPFUIF-WMZOPIPTSA-N 415.519 1.911 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccccc3C#N)CC2)cc1 508037318 KKEUFZPKZIBWSO-UHFFFAOYSA-N 419.528 1.863 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCn1ccnn1 542432931 VXUNZEWDEQOOAD-UHFFFAOYSA-N 408.256 1.896 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2nc3ccccn3n2)CC1 544767001 DQSSXBZWWDWQEL-UHFFFAOYSA-N 411.447 1.139 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)[C@H](C)C2)n(Cc2ccco2)c1C 545193447 PCSAFRCMQCVRLN-CYBMUJFWSA-N 404.492 1.675 30 10 HDEE N#Cc1cc(Br)ccc1CN1CCN(CC(=O)N2CCOCC2)CC1 553868984 FOPGROYJDWXJCW-UHFFFAOYSA-N 407.312 1.297 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 561043965 WFUWPMYBGPJQCK-INIZCTEOSA-N 401.492 1.756 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 566040147 YCPXTQORQKRQLM-UHFFFAOYSA-N 400.435 1.816 30 10 HDEE CC(C)n1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 569420814 QCZUNCZDEOJZCV-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE CN(C)[C@@H]1CCOc2c(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cccc21 574682403 NSGFVYOUJJRNJI-GOSISDBHSA-N 414.487 1.860 30 10 HDEE Cc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 581949795 UFCJOOXAOQVKGZ-KRWDZBQOSA-N 406.442 1.601 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3ccc(OC)cc3OC)N2N1 588227123 NNCHQWGWVVWIQN-IBGZPJMESA-N 408.483 1.766 30 10 HDEE COC(=O)CCN(Cc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 591730033 UNBVAJAHTZJREB-UHFFFAOYSA-N 415.471 1.428 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 609668726 YVXQJXCTKBYTDG-PZJWPPBQSA-N 400.523 1.484 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)C(=O)C12CCCCC2 612623715 DDDYKPSUYGGHLY-IBGZPJMESA-N 423.517 1.992 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 670210383 DPUMOHVTIMQIFQ-WBVHZDCISA-N 421.523 1.774 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1)[C@H]1CCS(=O)(=O)C1 729334843 WOIWBYDHBQYTSG-MJGOQNOKSA-N 417.531 1.888 30 10 HDEE N#C[C@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCN1C1CC1 732674454 HRHFWRXFXLYYKA-VQTJNVASSA-N 401.486 1.581 30 10 HDEE CCN(CC)CCOc1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732707710 DCZAYZPOSPNHHL-SFHVURJKSA-N 413.522 1.544 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1 733991268 ANOZHPYUZADOAS-LJQANCHMSA-N 411.483 1.524 30 10 HDEE CCCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cnn(CCC)c2)c1=O 735068847 GMRIZYQNLAATBV-UHFFFAOYSA-N 413.547 1.442 30 10 HDEE CN(C)CCOc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 735195624 SQXGKDQRFAOKLJ-INIZCTEOSA-N 419.913 1.418 30 10 HDEE CN(C)c1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc2n1 745812524 AIODFOSBKYYBTJ-FMQUCBEESA-N 408.462 1.626 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746529630 CHUFGGFRWJNETR-DHZHZOJOSA-N 413.455 1.803 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)NC1CCN(c2ccccc2C#N)CC1 750046814 CFBXMBAEJVCAGB-QGZVFWFLSA-N 424.592 1.704 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 751530817 IYSSPTGEXQGYAJ-LBPRGKRZSA-N 406.407 1.388 30 10 HDEE COCCCOC1CN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 754355103 NJTVPUMDAOCORP-QGZVFWFLSA-N 423.535 1.404 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 755581165 FARJOOXXUFXDRJ-IBGZPJMESA-N 417.462 1.717 30 10 HDEE COc1cc(CN2CC[C@H](Nc3ccc(S(N)(=O)=O)cc3C#N)C2)cc(OC)c1 756134864 RMLDRJAKXFYFDJ-INIZCTEOSA-N 416.503 1.909 30 10 HDEE CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 757312989 QLYRITBXTCSCEW-WQPBDQAGSA-N 407.517 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 759063419 FWQWWILHWPSRKB-DNZUHHBVSA-N 406.483 1.809 30 10 HDEE C#C[C@@H](C)N(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 767228728 CSXDUKTUGJUARQ-CYBMUJFWSA-N 403.460 1.055 30 10 HDEE C#CCN(CC#C)C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 771388189 KHYGCNDYSUMCBH-GOSISDBHSA-N 402.248 1.311 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCN(c2ccc(C)cc2)CC1)c1cc[nH]n1 772150959 ZQSNQWCNRLPSQC-UHFFFAOYSA-N 413.478 1.741 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2F)cc1 776652768 CPTXMTHZKJHAHR-QGZVFWFLSA-N 422.409 1.822 30 10 HDEE Cn1cc(/C=C\C(=O)OCc2ccc(C#N)cc2Br)c(=O)n(C)c1=O 778094223 GSWILFSUMZDQGS-WAYWQWQTSA-N 404.220 1.475 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)c1 780203283 AGVZXBZLBMCLFQ-QGZVFWFLSA-N 422.846 1.830 30 10 HDEE C#CCN(C(=O)Nc1ccc(C)c(C(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C1 786119413 BHRSNVJQGRTJEK-KRWDZBQOSA-N 419.503 1.122 30 10 HDEE C#CCn1ccc(CN(CCOC)c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])n1 790278594 BJIXKPLIHTWRMY-UHFFFAOYSA-N 413.478 1.910 30 10 HDEE COc1cc(Cl)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 790365270 BSAVNKGABKSPQJ-FOCLMDBBSA-N 415.855 1.162 30 10 HDEE C[C@H](CC(=O)Nc1cc([C@@H]2CCCO2)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 792675758 PPECXNJRTRSEGF-RISCZKNCSA-N 403.464 1.717 30 10 HDEE CC[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794298047 ILEMCEBJGUJZBA-FOIQADDNSA-N 421.519 1.302 30 10 HDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCF)c1 797812282 TXIGONHELDXNOM-MRXNPFEDSA-N 423.514 1.614 30 10 HDEE C#CCN(C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 798483562 GSLPYXJEGMJRPZ-PZJWPPBQSA-N 403.548 1.731 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C 800122531 KCZKDFAELRAXRP-IYBDPMFKSA-N 416.544 1.567 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)NCC(=O)Nc2ccccc2Br)c1 803849076 RCZORFUMNWNBJP-UHFFFAOYSA-N 417.219 1.627 30 10 HDEE COc1cccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807931099 YWXRHFZOMLDSFU-MRXNPFEDSA-N 414.491 1.624 30 10 HDEE CC(=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cn1)c1cn2c(n1)CCCC2 807954388 QKVUCRVQLHMCQU-UHFFFAOYSA-N 417.539 1.387 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1126160161 OHBJEMZDDHADCC-MRXNPFEDSA-N 403.479 1.945 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(CC)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 1128111972 PCSYSAILACWVIJ-VGSWGCGISA-N 415.490 1.896 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CC(=O)N(CC4CC4)C3)CC2=O)cc1Cl 1133054902 MFCOPMASIBFDPL-LSDHHAIUSA-N 400.866 1.692 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CCC1 1133717234 KEKVCYAQKCTNIR-QGZVFWFLSA-N 402.520 1.997 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1136461163 ZUZDRLJFTMTENB-CQSZACIVSA-N 403.483 1.688 30 10 HDEE CCC(=O)N1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1137513919 OVHWXYKBEJVQQU-FMPZLKCCSA-N 404.511 1.900 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1137575897 GUDGPSSGVDRMNG-WBVHZDCISA-N 416.457 1.213 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H](CO)Cc3cccnc3)C2=O)cc1 1140069627 BGHAQRGMBVKHRR-MJGOQNOKSA-N 421.457 1.126 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)COCCNC(=O)c2ccccc2)c1N 1140312878 GEBAXCJPUNNBRZ-UHFFFAOYSA-N 404.430 1.711 30 10 HDEE C#CC[C@@]1(C(=O)NCC(=O)NCCN2CCCCC2)CCCN1C(=O)OC(C)(C)C 1140743758 YAHJHEGPPBMXFX-QFIPXVFZSA-N 420.554 1.498 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCNC(=O)c2ccc(Cl)cc2)c1 1141393769 XFTQODYBNOLTOS-UHFFFAOYSA-N 423.853 1.936 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)C(=O)OC 1141998007 FKXNASBTUGWWPK-IAGOWNOFSA-N 404.463 1.812 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)Nc3cnn(CC#N)c3)CS(=O)(=O)[C@@H]2C1 1142460871 AAVTVQGQKYEMHY-BPLDGKMQSA-N 423.495 1.015 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1149979477 OWUXLMIJCYTFBR-ZDUSSCGKSA-N 403.298 1.272 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccncc3)[C@H](C)C2)s1 1153510299 PKKAJHHGZQEYET-OAHLLOKOSA-N 420.560 1.887 30 10 HDEE C=CCC1(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CCOCC1 1165727443 FERGJMBYODRFOH-GOSISDBHSA-N 412.490 1.778 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1179365844 ADZJTFDWWCFJPT-CRAIPNDOSA-N 401.463 1.922 30 10 HDEE C#CCOCCC(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1179939067 ZKRORUIGHRFIMF-LJQANCHMSA-N 409.324 1.841 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nccs3)cc2)CC1 1214323787 OODPYQJYGJNOSQ-UHFFFAOYSA-N 405.505 1.427 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@H](S(=O)(=O)NCC)C1)c1ccc(Br)cc1 1230499548 YSWHLTQOEHKWEF-CABCVRRESA-N 414.325 1.847 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 1248676762 RJNATJOHFPTSCP-PKOBYXMFSA-N 405.520 1.271 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 1252391971 DVSJDDKCJSIRFI-OALUTQOASA-N 420.535 1.922 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@H](C)C(=O)NC(C)(C)C)CC1 1278170005 VSLQMHIAPWRLHJ-AZQPHWPRSA-N 401.551 1.639 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1286269411 DZQDHMRBSLIHQZ-OAHLLOKOSA-N 416.526 1.839 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1286273507 HWGKQRDSTYFBFW-NSHDSACASA-N 404.276 1.570 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1286334888 BYGBFCRRBRHKIL-UHFFFAOYSA-N 415.567 1.917 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286368486 SVHSQJITEDZZTL-QGZVFWFLSA-N 412.874 1.357 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CCCC)[C@H]1CCS(=O)(=O)C1 1286389440 KDEXIDHZKHAUTA-AWEZNQCLSA-N 419.507 1.433 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCO[C@@H]1C 1286409438 LOCDMBIBOSTDSK-WVBUVRCRSA-N 408.458 1.403 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1286444496 YNZXAPGJWQZHKS-SZNDQCEHSA-N 408.462 1.593 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)CCC)CC1 1286503255 CRULRVHEXMSSEW-UHFFFAOYSA-N 415.567 1.930 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286698546 AZAMTNOWSDPVSC-JLTOFOAXSA-N 402.499 1.563 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCc2ccccc21 1286779464 RUACROOEPKXQPQ-GOSISDBHSA-N 408.506 1.940 30 10 HDEE CC(=O)NCCCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1286963018 ODUNLVFNDLSMEV-HNNXBMFYSA-N 423.525 1.449 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)C2CCCCC2)s1 1294595221 BCDAZAJNQPTRCF-KRWDZBQOSA-N 414.549 1.993 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1296621578 KYFJNRUOVLLTDV-RTWAWAEBSA-N 420.558 1.638 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1300298546 DSMWRDHQWMRZGR-OXQOHEQNSA-N 413.551 1.401 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1300337185 VJVWMOBRHIHDNQ-UHFFFAOYSA-N 416.570 1.865 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1300421413 GGDAYNRNPZNROU-IBGZPJMESA-N 414.554 1.363 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1300471846 RHBMFOHUPWKNLU-UHFFFAOYSA-N 408.506 1.355 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1300579349 UBDWWXSBERZUOT-ROUUACIJSA-N 403.552 1.127 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOC[C@@H]2CCOC2)CC1 1300711236 UICZXHCWHYCCGZ-RBUKOAKNSA-N 403.527 1.328 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCC=CO2)CC1 1300726594 OIQXJGVBPKWUMD-HXUWFJFHSA-N 420.517 1.922 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1300894446 BZKPXUNPGKVTJC-YQVWRLOYSA-N 419.526 1.406 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2cncn2)nc1 1301381256 XJHHOXWYLILJDB-UHFFFAOYSA-N 402.466 1.881 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O 1302618973 XGXKLXXXQXAGCT-UHFFFAOYSA-N 406.483 1.429 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2CCOCC2)CCOC1 1303503614 CWSBXOAUDKOEJS-GHTZIAJQSA-N 419.526 1.864 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 1303776727 BMHGYWLLUWZZEL-HXUWFJFHSA-N 415.471 1.320 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1OCCC1(C)C 1303835606 CGRUXLNXTDRLQC-OGHNNQOOSA-N 414.507 1.145 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)C1 1303947463 QKUIQHPWMHWKKG-JOCHJYFZSA-N 405.506 1.780 30 10 HDEE O=C(c1cccc(Cn2ccnn2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1306893470 VZHCQWAORHENPM-UHFFFAOYSA-N 405.414 1.844 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNc1cc(C#N)c(Br)cn1 1307205438 MXOFLGZAFQDXQX-UHFFFAOYSA-N 416.279 1.902 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 1312354176 UTLZLOROEAJNTC-GFCCVEGCSA-N 404.510 1.060 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H](Nc4ncccn4)C3)C2=O)cc1 1312487742 YTWCXXWIFDEIBY-WMZOPIPTSA-N 405.462 1.740 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1=O 1316119240 VKJZNFKGAOBHIK-PKOBYXMFSA-N 424.505 1.537 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3ccc[nH]3)n2CCOCCCO)CC1 1316533272 JRHAECZEFQYGDP-UHFFFAOYSA-N 422.493 1.265 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1323728876 KIXBYQXZWZZEIX-OAHLLOKOSA-N 402.538 1.683 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc2c(Br)cnn2c1 1349466030 ZKRGWGNWNFOHIP-UHFFFAOYSA-N 416.239 1.780 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358886571 GRSNSUQXDTYJOB-SUMWQHHRSA-N 404.478 1.829 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1358969104 GYLDHNGPXROIIJ-YGWPLHOASA-N 423.542 1.547 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCSC(C)C)CC1 1359045917 YBPGROWJFBJXNI-QGZVFWFLSA-N 405.568 1.889 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1359302715 RDOAPROCRUUBRA-CZUORRHYSA-N 404.540 1.940 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C2CC2)N(C)C)C1 1359310741 FMFIKSDBCQHRPC-QZTJIDSGSA-N 402.543 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)CC)C1 1359318470 GDFKTSNWXNLWSK-AWEZNQCLSA-N 416.482 1.265 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)C1 1359320213 NMVCORRDJFGZRT-HOTGVXAUSA-N 416.526 1.317 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cnnn1 1360478604 MBWQEDXDPWLEJA-CYBMUJFWSA-N 401.425 1.962 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1(NC(=O)OC(C)(C)C)Cc2ccccc2C1 1438601799 MGMGRHHQXALBBJ-UHFFFAOYSA-N 401.463 1.964 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2ccc(I)cn2)CC1 1450473602 OFPNEXNCDTZYAZ-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)C2CCCCC2)c1)C(=O)OC 1451178280 IMUGTCXSWFJSJN-GOSISDBHSA-N 406.504 1.935 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(C(=O)OC(C)(C)C)CCOCC2)CC1 1460513305 VXZBNMVQXIKSKY-KRWDZBQOSA-N 408.543 1.159 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1468577493 CUIXJXYXTYVYPW-KRWDZBQOSA-N 417.487 1.926 30 10 HDEE C[C@@H]1[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1C(=O)OC(C)(C)C 1470851180 BPFBDMDEKSJQQT-CJNGLKHVSA-N 422.507 1.351 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4ncon4)CC3)C2=O)cc1 1471965600 MTLJTGJAMGUMHM-INIZCTEOSA-N 408.418 1.552 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](N2CCCC2=O)C1 1503366458 ANVNXHFHCFSEPO-SFHVURJKSA-N 421.505 1.496 30 10 HDEE COCc1nc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cs1 1504655208 BILXMVSGJDMRCQ-CABCVRRESA-N 404.496 1.900 30 10 HDEE COCCCN(C)CCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504821212 SCHAORHAUSUYGJ-IBGZPJMESA-N 401.559 1.690 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1505270807 LLJTYNGPLCARRB-CRAIPNDOSA-N 415.519 1.722 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCSC 1507588337 JVFDMSUOQOJFNU-HNNXBMFYSA-N 415.585 1.214 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1(=O)=O 1507671735 OPDNAARIWMPRKY-IBGZPJMESA-N 411.531 1.694 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1507690595 QMOLOKDLCFZKEA-KRWDZBQOSA-N 415.519 1.304 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1507731347 GNMABVVXDVAEDK-HXUWFJFHSA-N 422.533 1.738 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCC=CO2)CC1 1507732246 DLTWARHVAIHPJH-FHWLQOOXSA-N 401.511 1.450 30 10 HDEE C=C(C)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@]1(OC(C)C)CCOC1 1507835123 LTLOCPOOGNFMSP-UXHICEINSA-N 424.567 1.910 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1507842464 AXEOYMUMMCZWTH-KRWDZBQOSA-N 419.526 1.944 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccnn1C)C1CC1 1507868239 GIBJDNWWJPBBJC-CYBMUJFWSA-N 410.931 1.835 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1507888521 HEHXPPPDHIJFNO-UHFFFAOYSA-N 417.535 1.360 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1507944180 PHMGVQWVAWWPDB-HNNXBMFYSA-N 422.559 1.363 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1508038804 KSSZEIVFVSZSEU-MRXNPFEDSA-N 422.555 1.218 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1508086220 YKZOQUCTZKGVAC-KRWDZBQOSA-N 420.521 1.369 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1508108963 JXBFROAGSPJIMK-IXDOHACOSA-N 411.572 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccccc2OC)CC1 1508137334 ZPXWUNOLTUIURV-UHFFFAOYSA-N 405.524 1.523 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC#N)CC1 1508274903 HNTYCTMNTKWKGC-KRWDZBQOSA-N 420.521 1.719 30 10 HDEE Cc1c(CN(C)c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1510483503 ONSYKMTUFUAXDO-ZZEZOPTASA-N 424.509 1.750 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1512576464 ACEWTVYQMTZSFT-YEJXKQKISA-N 412.494 1.650 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1519278082 OQBZXQUKQFEUFZ-FOIQADDNSA-N 418.473 1.500 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1519392838 QLENRFAONIXZLT-UHFFFAOYSA-N 422.493 1.790 30 10 HDEE CS(=O)(=O)[C@@H]1CSCCN1C(=O)Cc1ccc(Br)cc1C#N 1525407525 YESKYANIZVSOHQ-CQSZACIVSA-N 403.323 1.809 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1527792861 DKOXMZNZRRPZNJ-OAHLLOKOSA-N 423.510 1.258 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C1CCOCC1 1532934747 SXLNSQLWDXTSHD-XSLAGTTESA-N 406.548 1.828 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1539148030 GIQSIBHXWQGCLW-GDBMZVCRSA-N 402.524 1.473 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCNC(=O)c1cc[nH]n1 1539194002 PCVRRTHFYORYOW-UHFFFAOYSA-N 407.478 1.696 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539215520 DSKYCELSMARNAN-KBPBESRZSA-N 406.537 1.113 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539247281 XFWVYUYDHVZGJX-LJQANCHMSA-N 416.485 1.384 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nncn1CC 1539251959 STITUQBXNBPCLA-UHFFFAOYSA-N 403.446 1.449 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(C(N)=O)c2)CC1 1539445763 FAAHWHUCXXHXFN-UHFFFAOYSA-N 415.501 1.551 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCCCCO)CC1 1539477754 XPXZYWNRJOPATP-UHFFFAOYSA-N 410.522 1.777 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1539774687 DIGHHWAFNXWHNL-LBPRGKRZSA-N 411.915 1.909 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nncn1-c1ccccc1 1541657165 CEBQFMDBGDKGDJ-FQEVSTJZSA-N 423.456 1.487 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1541988948 CPSSMDYHAOFZJF-LAUBAEHRSA-N 416.526 1.899 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)c1 1543315456 YZAFKSZUDVZSMI-UHFFFAOYSA-N 424.476 1.920 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1552900694 JOABBUSKEQSGOH-ROUUACIJSA-N 413.503 1.785 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 1555569757 XYFYMNLGQKYGAM-UZLBHIALSA-N 421.505 1.915 30 10 HDEE CS[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1N1CCCC1 1556104221 MZKGMANNMDWIIZ-IAGOWNOFSA-N 411.524 1.775 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccnn1C 1557204594 DSKIWNKAYRMKEP-NRFANRHFSA-N 406.494 1.977 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1558707663 YXXRZJWXWAYGNP-QGZVFWFLSA-N 403.284 1.698 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C)C(=O)N(CCC#N)c3ccc(C)cc3)C[C@@H]12 1560007827 UULOARFWWVZNFO-KANFNMMFSA-N 405.520 1.374 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(C#N)c(F)c2)CCS(=O)(=O)CC1 1585051481 MTAQZVVHELQEEI-UHFFFAOYSA-N 410.467 1.850 30 10 HDEE Cc1nc(CC(F)(F)F)sc1CC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1585295292 CNADCVJLAULQRZ-PFONDFGASA-N 402.398 1.741 30 10 HDEE N#C[C@]12CN(C(=O)c3cccn4ncc(Br)c34)C[C@H]1CS(=O)(=O)C2 1585660850 XXQDLTOVXYWYKH-ZUZCIYMTSA-N 409.265 1.107 30 10 HDEE C#CCCCn1c(CCCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1587872202 AIXRPYDHURAMSA-UHFFFAOYSA-N 415.563 1.948 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1587904585 KKMQAHBTXBNGOA-CQSZACIVSA-N 416.448 1.139 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1588050365 RVHIHQVIKXVETH-CQSZACIVSA-N 418.548 1.257 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1589406680 ZICWDMWWQVMBHT-STQMWFEESA-N 414.304 1.968 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC3(CCOCC3)CO2)c1 1593610704 ADKPUJJAKFEXIC-KRWDZBQOSA-N 408.520 1.857 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595545007 PKAGOSJQDLAJTM-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)SC)C1 1595723211 SURNUXISHPRFNP-SOUVJXGZSA-N 400.570 1.713 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC2(CCCC2)C1 1595789522 VIUOJHDKVBXNSA-UHFFFAOYSA-N 418.523 1.485 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1 1596953174 LCFJYBVNPIHFEW-JKSUJKDBSA-N 421.461 1.511 30 10 HDEE C[C@H]1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCO1 1612686937 GGILFTYAHUMIAM-DOTOQJQBSA-N 415.519 1.867 30 10 HDEE COC(=O)C[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1617930352 BBTDCHNGFMUXDS-KSFYIVLOSA-N 406.442 1.901 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1624064683 CHOXRFHFXGUPLU-CHWSQXEVSA-N 424.951 1.197 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cc(N4CCOCC4)ncn3)CC2)c1 1626475088 DVNVZSLAHJHFEU-UHFFFAOYSA-N 420.473 1.676 30 10 HDEE CC[C@H](C#N)N(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1626861726 ACVHZLVCLNMYBI-MRXNPFEDSA-N 424.498 1.443 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2 1627264872 ISSKYBJVTVZCOJ-ZBKJMMEJSA-N 408.502 1.931 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1627709042 HQIWCNXGUJLOKR-UKRRQHHQSA-N 419.482 1.505 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cn2)C[C@@H](C)O1 1629142988 OZOCXDQRAVGAQD-CZXPBSPDSA-N 414.437 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)C(C)(C)C)CC1 1629234847 UUGWUDPIUNYYGT-UHFFFAOYSA-N 400.541 1.966 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 1632880602 UZKFZQZUMYHANY-ZFDMEJTGSA-N 406.801 1.615 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OCC 1636837495 CCZXPXUSKBJZHK-ZDUSSCGKSA-N 419.297 1.724 30 10 HDEE Cc1csc(NCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1637542402 WBERHSUUSPJBAT-UHFFFAOYSA-N 407.521 1.499 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C(=O)OC(C)(C)C)CCCO3)CC2)c1C#N 1638690834 OLRCNAJUWNEMKO-HXUWFJFHSA-N 403.483 1.140 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3ccc(Br)cc3=O)C2)nc1 1638910928 MCMJWJUADYWKLT-HNNXBMFYSA-N 416.279 1.981 30 10 HDEE C[C@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCCS1(=O)=O 1640947087 GJZDJLYTADWIJG-HXUWFJFHSA-N 413.503 1.564 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCN(O)C1=O 1641379402 XKZDFCKRHHEALS-HOTGVXAUSA-N 402.451 1.710 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1641574289 JJPYRPOEBMZJDQ-WMZOPIPTSA-N 406.529 1.350 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](c2nccs2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1643588198 INHPMPOAPGKDRX-OLZOCXBDSA-N 404.517 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)NC[C@H]3CCCN(CC#N)C3)=NO2)C1 1650833635 BFRXGNYSKZPWQN-IERDGZPVSA-N 419.526 1.884 30 10 HDEE Cn1c(SCC(=O)NC2(C#N)CCCCC2)nc2cc(S(N)(=O)=O)ccc21 1651632247 FNUPGGQTELUBEN-UHFFFAOYSA-N 407.521 1.655 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@@H]2CCC[C@H](C(F)(F)F)O2)c1=O 1652998302 NPBGDBSKUSQHLU-QWHCGFSZSA-N 417.384 1.723 30 10 HDEE C[C@@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1654307321 LGNZJWFBUGJFRA-SFHVURJKSA-N 410.927 1.408 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1ccc(N2CCCNC2=O)cc1 1665268368 AZUHXPOTXCNLHT-UHFFFAOYSA-N 400.460 1.965 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 1666482609 AMHLYNAMBWALAN-OAHLLOKOSA-N 404.533 1.330 30 10 HDEE CC[C@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1668722983 HJLMLLRAOQKUTF-AWEZNQCLSA-N 400.298 1.952 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(C)C)CC1 1672484294 DXPKJTUFHFBIOM-UHFFFAOYSA-N 422.551 1.775 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)C1 1676150075 MCYSSMXKKROIIT-KRWDZBQOSA-N 406.527 1.949 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@@]4(CO[C@H](C)C4)O3)CC2)c1C#N 1676159407 CGWSHGYRTUBUQU-PTSWNOGYSA-N 402.499 1.158 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](C)Cc2ccc(OCC)cc2)CC1 1682979494 HXBNNBRNPYLUSN-QGZVFWFLSA-N 422.551 1.059 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)CC1 1683180721 ARBQAEKBVJOSAD-SJORKVTESA-N 402.520 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1689849329 KJHGUIBTFPQNIR-XLIONFOSSA-N 422.533 1.568 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1689886980 LPZKYMGFFFNTBW-KRWDZBQOSA-N 405.462 1.568 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1689922044 ACGMBJCHQJSPPT-QGZVFWFLSA-N 411.462 1.429 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689922902 DSKCRWVZTHYEAH-UHFFFAOYSA-N 409.494 1.328 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689993066 UZWOVSFEEPXYEE-ZWKOTPCHSA-N 409.600 1.834 30 10 HDEE C#CCN(c1nnc(COc2ccccc2F)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1689996989 SXNHVWPFQRDHGU-HNNXBMFYSA-N 404.467 1.958 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@](C)(O)c2ccco2)CC1 1690150252 AOEIBCFKJOCIOY-JOCHJYFZSA-N 411.506 1.697 30 10 HDEE C#CCSCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1690186730 UIIWPFJZXVVBJB-FQEVSTJZSA-N 421.567 1.388 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@H]1CCOC1 1690204966 XGSOYLDOYNRHLL-LLGFUMIMSA-N 401.511 1.665 30 10 HDEE C=CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690496224 MUXPJZYFNOCGIS-WIYYLYMNSA-N 421.542 1.626 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690671990 FKZTYVCGHADRTK-AWEZNQCLSA-N 402.886 1.136 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1690717948 WIXAGGNTOMIRJV-UHFFFAOYSA-N 415.519 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1690723279 MLQAODLUUDBZED-QGZVFWFLSA-N 420.539 1.551 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1692520691 CKKCHYOKOHIKES-LJQANCHMSA-N 400.462 1.368 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C(N)=O)C2)o1 1698487856 CLOVKGLFYROITM-CYBMUJFWSA-N 410.409 1.821 30 10 HDEE C=CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1702951493 MSQWMTAZBDXINO-RSJGLCBASA-N 403.523 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705476666 CQJIZFOYJZIGRG-ZHEXZJMTSA-N 409.556 1.287 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1705522311 ACGNEYWUZTYAJP-QGZVFWFLSA-N 401.511 1.702 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1705560020 HJOXVZCIVAFATJ-XGZNKIABSA-N 400.570 1.187 30 10 HDEE C#CCN(c1nnc(CC)n1CCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1705570510 NZEMEOHQZYKRPT-INIZCTEOSA-N 412.519 1.517 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCn1cc([C@@H]2CCOC2)cn1 1705630851 JBOFMMJVZJLPSB-IEBWSBKVSA-N 414.510 1.616 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2C2CC2)CC1 1705640575 XCKYLUQJDIYTHK-KRWDZBQOSA-N 416.526 1.677 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)COC)CC1 1705643651 ODYSLXKSLGSFFG-ROUUACIJSA-N 405.543 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H](F)COC)CC1 1705646228 BXMWAPVNRCEAHU-INIZCTEOSA-N 403.458 1.797 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCCCO 1705674116 AFCDDIUZVPVKBN-CRAIPNDOSA-N 412.581 1.288 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2n[nH]c(C)n2)CC1 1705780969 MMVDMKXFLHFZSC-UHFFFAOYSA-N 407.482 1.997 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCOC2)C1 1705895273 ZZGQBGXLTSTQHN-FQEVSTJZSA-N 404.515 1.116 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1705903591 YKMFJEGMVBUMML-CQSZACIVSA-N 423.477 1.369 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1708487266 SGYNIZYSGORKDX-VTNSMKTPSA-N 415.498 1.020 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC1 1712454633 QGXVHYWWBZTNTB-SFHVURJKSA-N 418.542 1.403 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@H](C)C1 1722420200 DZMMSPTYSYSDCU-OPYAIIAOSA-N 406.527 1.831 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2csc(CC)n2)CC1 1722436696 LBJNNQSMDCVYFC-INIZCTEOSA-N 400.552 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1722504309 FXMNCAQGTXGCMX-QRQLOZEOSA-N 413.526 1.765 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CN(C)C2=O)CC1 1722563850 BNRSLKRXGYPXCL-LEWJYISDSA-N 403.527 1.953 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1722841492 DSSNHLCURLKWEM-VQTJNVASSA-N 422.489 1.503 30 10 HDEE CO[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1730372675 FQXVPBWEVBUHLW-UKRRQHHQSA-N 405.480 1.308 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCN2CCCO)CC1 1731185978 IBWHZKYJEPBWIB-HXUWFJFHSA-N 409.538 1.851 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCOCC1 1740557318 IPCSPPDCVYDWNG-QGZVFWFLSA-N 411.506 1.906 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@H]1C 1740559341 LYIKNSRVHXOEFT-QYWGDWMGSA-N 400.479 1.864 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C)COC1)[C@H]1CCS(=O)(=O)C1 1740619561 KJBGOOQQZRFNTB-KRWDZBQOSA-N 400.504 1.608 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1740671595 KMMDMFYWFBHLRR-HNNXBMFYSA-N 419.507 1.100 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1740671899 QXWRVLINNVFXBY-YJBOKZPZSA-N 416.503 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1Cc1cccc(N2CCOCC2)n1 1740685571 OFCMUNKXXUTVCX-UHFFFAOYSA-N 410.522 1.912 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)SC)CC1 1740694909 XOKQCGICENRHHE-AWEZNQCLSA-N 402.524 1.513 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1([S@](C)=O)CCC1 1740723360 OCMRXGSVNVENOT-GDJIYFAZSA-N 403.552 1.807 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1740878122 RHUUQYZDMSNNKM-UHFFFAOYSA-N 409.538 1.631 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740946881 ISGZWGDKJGEPPN-GOSISDBHSA-N 404.559 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740957529 QZWBTTJHWYEKCN-INIZCTEOSA-N 411.510 1.177 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740990675 CPMJOPQKAWJZII-QGZVFWFLSA-N 419.555 1.806 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1741055916 URPXTESVCKWQMH-OXQOHEQNSA-N 424.505 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1 1748680564 SXTQCBWCIWMIMT-HNNXBMFYSA-N 407.540 1.216 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748803848 AETVCALTEBISLD-HZPDHXFCSA-N 409.556 1.287 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1748817859 ROYYRWMEMNGPCY-KGLIPLIRSA-N 418.466 1.038 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748818169 WTLFYBPFUJBYIY-SJORKVTESA-N 408.568 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1748929846 QSKWQMHADANEDR-INIZCTEOSA-N 402.524 1.149 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1noc(CC)n1 1748956293 BNCJPLKNAXKLAT-UHFFFAOYSA-N 424.461 1.948 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 1749004702 LWISYEXDAYUPHX-GHTZIAJQSA-N 401.511 1.281 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1749493340 BRXMXQMZVDVATO-HNNXBMFYSA-N 417.601 1.622 30 10 HDEE COCCN1C[C@@H](Cn2c(CC3CC3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1749864604 CLDMSFUBEDNMFU-LAUBAEHRSA-N 400.527 1.856 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCO1 1751038633 NLJMQJJWHDFXNW-MAUKXSAKSA-N 401.467 1.925 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCCC2)n1 1751853191 BFDRTMHABWICGX-VQIMIIECSA-N 412.542 1.600 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCC1 1751985679 DOCIOEDCZCQORV-KRWDZBQOSA-N 423.521 1.491 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760171483 MFFDAWNPTZAHFC-MOPGFXCFSA-N 408.506 1.372 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760188849 QLJPGOOVNNRLLI-ROUUACIJSA-N 422.551 1.739 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1760206068 QDYJZDIAXQSPDY-IRXDYDNUSA-N 415.519 1.149 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1760248370 KADIEIDHVOQKPR-IAGYGMIVSA-N 401.511 1.256 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC(CO)CC1 1760518208 MFNQOFKUAKICEI-UHFFFAOYSA-N 415.494 1.473 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1760528216 WAYWDZRKHOQHSA-UHFFFAOYSA-N 418.885 1.139 30 10 HDEE Cc1nnc(N2CCO[C@@](C)(c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762628057 LHMAYAOFJCTZRM-YVHXKWHWSA-N 422.489 1.865 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1768797025 ZIACTQOOWMIBTM-HEWTWTGNSA-N 416.526 1.965 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](c2nccs2)C1 1772567210 NRWHUNVNTXTJDJ-LSDHHAIUSA-N 418.523 1.856 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772791992 DWEZTRJYECJCLF-OAQYLSRUSA-N 407.382 1.598 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)C1CS(=O)(=O)C1 1850693902 LGZTXZMOJIOGDH-SFHVURJKSA-N 409.504 1.083 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)c2nccc(N3CCOCC3)n2)c1C#N 1851835916 FLQZUNOKOVZWNO-UHFFFAOYSA-N 403.446 1.990 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)[C@@H]2CCC(=O)N2Cc2ccc(Cl)cc2)NC1=O 1852019154 OUORIFJWNSPXGA-AWEZNQCLSA-N 402.838 1.152 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N=C2NN(c3ccc(Cl)cn3)C[C@H]2C)c1 1852104738 QAGVMOCQGONJOD-LLVKDONJSA-N 407.883 1.843 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CCN(S(C)(=O)=O)CC1)c1ccc(F)cc1 1852163316 IBUNBRPHGQQEHJ-UHFFFAOYSA-N 414.528 1.705 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2[nH][nH]c3nc(C4CC4)c(Br)cc23)CC1=O 1852441437 ZKWYBXFVSNKANT-JTQLQIEISA-N 404.268 1.993 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)C(=O)C2 1852654116 RUIARSSPYYKHFT-KRWDZBQOSA-N 413.430 1.966 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1852738428 GDSMRUXNXMTCSU-NEPJUHHUSA-N 400.870 1.520 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)CC2)nn1 1853088287 HAWBMPDHSJBARJ-UHFFFAOYSA-N 419.429 1.872 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(O[C@H]3CCOC3)nc2)CC1 1853185944 XWELIBRKNOZFPJ-IBGZPJMESA-N 423.473 1.495 30 10 HDEE N#Cc1c[nH]cnc1=NC(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1853360272 DBWBIUNYNKYUAZ-HNNXBMFYSA-N 407.352 1.681 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C4CCC4)CC3)ccc21 1854114720 GUGUIOHOCZFDAL-UHFFFAOYSA-N 417.531 1.927 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(OC(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1854723632 YSYMXHXOVVNBOZ-SNVBAGLBSA-N 405.354 1.111 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cnc4ccccc4n3)C(=O)C2)C1 1855008872 WOVNFXMFQKPXEW-IAGOWNOFSA-N 406.490 1.681 30 10 HDEE Cc1nn([C@@H](C)CC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c(C)c1Cl 1855019137 JHSKQHQXIIKXBO-WMLDXEAASA-N 420.945 1.763 30 10 HDEE CCn1cc(C(=O)N2C[C@@H](CN(C)CCC#N)CCC2=O)c(=O)c2ccc(C)nc21 1855620555 LJEWFBNLFYPEMS-MRXNPFEDSA-N 409.490 1.949 30 10 HDEE Cc1cc(N2CCN(C[C@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)ncn1 1855876365 OHICAHURPCEZFB-GOSISDBHSA-N 404.474 1.468 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(S(=O)(=O)Cc3ccccc3)CC2)CC1=O 1856131181 YMKXFFXQPURTJW-QGZVFWFLSA-N 403.504 1.355 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C(=O)C1 1856386844 KXAGEENWZUSQQF-ZFWWWQNUSA-N 406.870 1.879 30 10 HDEE N#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCC2 1856637840 XVRODQFVOXZLBM-UHFFFAOYSA-N 422.551 1.088 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(CCOC)Cc3cccn3C)C2=O)CC1=O 1856756853 KRVYZVBTQKQQGH-PKOBYXMFSA-N 416.522 1.026 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CCc3ccccc3)C2=O)CC1 1857067531 YUXROWXNXGPEOG-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ncoc2C(C)(C)C)C1)[C@H]1CCN(C)C1=O 1857228176 NGEJYRPHWYUUER-CABCVRRESA-N 402.495 1.680 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(C)c(C)c2)C1)[C@H]1CCN(C)C1=O 1857317232 WSCPNJYEYUEBBK-ICSRJNTNSA-N 413.518 1.776 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCOC[C@@H]3c3cccnc3)C2=O)ccn1 1857330290 SJLPSWBTEZSCHG-WOJBJXKFSA-N 405.458 1.943 30 10 HDEE CCN(CC)CCNC(=O)C(=O)/C=C/c1ccc(OCC(=O)N(CC)CC)cc1 1860732368 GZQJZVGDYQDMNA-SDNWHVSQSA-N 403.523 1.974 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(O)cc2)c1 1862556379 VMZIUTOBDWAKNX-HXUWFJFHSA-N 423.469 1.885 30 10 HDEE COc1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1O 1862738256 XGPLDWGCYGLMHM-KRWDZBQOSA-N 414.370 1.880 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc2c(c1)OCO2 1870962037 ODCFSQRJBHXVJK-UHFFFAOYSA-N 415.446 1.517 30 10 HDEE C=CCN(CC=C)c1nc(=NCCC)nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]1 1871506415 QKACIJVOGCYHPC-UHFFFAOYSA-N 403.512 1.685 30 10 HDEE C=CCN(CC=C)c1nc(=NCC(C)C)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871630917 ZQTCRMHPZMTFCK-UHFFFAOYSA-N 421.505 1.931 30 10 HDEE Cc1cc(C)n(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)n1 1889298656 CYCLIEBTQONVJI-UHFFFAOYSA-N 415.582 1.537 30 10 HDEE C=C(Br)CN(C)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1929638342 YDXWZEBRZRCOPK-UHFFFAOYSA-N 401.282 1.843 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985097939 NAOTVJBQJUCHLE-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)C1 2011939022 GZVVBZONDHTVEB-VWEBPMOJSA-N 422.331 1.909 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1C[C@H](C(=O)O)C1 2162682641 LQLKXJSRBNONRI-CTYIDZIISA-N 400.497 1.514 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2174781053 BJLYJBYCSZNWLG-SANMLTNESA-N 414.509 1.607 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CNS(=O)(=O)N2CC(C#N)C2)(C(F)(F)F)C1 2174788189 BRTWFHWPOGCOIF-CQSZACIVSA-N 412.434 1.466 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(C#N)cc2Cl)[C@@H]2CS(=O)(=O)C[C@H]21 2174815421 SUBFGUGTKMEMIC-ZIAGYGMSSA-N 412.899 1.829 30 10 HDEE CC1(C)OB([C@]23C[C@@H]2CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C3)OC1(C)C 2194158493 MOJSFKZKIMRGDO-ZENOOKHLSA-N 405.347 1.062 30 10 HDEE CC(C)N(C)S(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206347826 XHBCLSHGQQQJQB-UHFFFAOYSA-N 400.375 1.990 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@H]3CCO[C@@]3(C#N)C2)C1 2237787510 CXWMQRDUZIFMET-KSCDAYEDSA-N 413.474 1.944 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)NCCC#CBr 2241907965 SCJDVTUEFNVJNG-UHFFFAOYSA-N 413.293 1.728 30 10 HDEE CC1(C)OB(C#CCNC(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)OC1(C)C 2243684667 FBRFYGKSVBEBQV-ZDUSSCGKSA-N 416.127 1.737 30 10 HDEE C[C@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247919203 SXSMUCAMNUOBJS-JSGCOSHPSA-N 420.319 1.694 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2256063434 OVROJBKWCBBKPG-IAGOWNOFSA-N 420.322 1.636 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267370446 MBPFQTNQOURHPX-ZZDSUILFSA-N 408.376 1.181 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCc2csc(=N)[nH]2)OC1(C)C 2267469358 ULTFMMGYFICTEF-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE Cn1nc(C(=O)N=S2(=O)CCOCC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041600 YZIAFDMXKOBWPN-UHFFFAOYSA-N 403.697 1.011 30 10 HDEE Cc1cc(S(=O)(=O)N2CCO[C@H](CF)C2)sc1B1OC(C)(C)C(C)(C)O1 2282302317 VYQQFSBMTOTFNV-GFCCVEGCSA-N 405.322 1.715 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COCC[C@@H]3O)cc2Cl)OC1(C)C 2282305068 SVYHTPIUSXINJF-MNOVXSKESA-N 423.749 1.129 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@]2(=O)CC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320381 HRIYDUZJBLCMJE-NDHGSNPTSA-N 420.387 1.243 30 10 HDEE CCCS(=O)(=O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282336358 BUMKUPRERKOFIN-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE CCN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1C 2282422517 CENHMIZQSSVSDF-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CCO[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506210 OWPOMWAYBLRNHA-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE CN(C)[C@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282614678 TUSMQMIIAHNKMU-NEPJUHHUSA-N 400.737 1.760 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282841923 ZCPWQPPIVUVQDO-STQMWFEESA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H]3N)c(Cl)c2)OC1(C)C 2282844287 BABWVXXQJWQVEG-KGLIPLIRSA-N 400.737 1.797 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H]3CCCO)c2)OC1(C)C 2282858749 BUSYSHVNFIDFJE-CQSZACIVSA-N 401.359 1.973 30 10 HDEE CC[S@](C)(=O)=NCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282869293 AHNDWXCCNTUINN-VWLOTQADSA-N 422.403 1.443 30 10 HDEE CCSC[C@@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870096 MQYCASDXIAYITN-LLVKDONJSA-N 403.379 1.448 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCO[C@@H](C(=O)O)C3)c2Cl)OC1(C)C 2284421190 LPWKGDZAQFDWQA-SNVBAGLBSA-N 401.677 1.626 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2362766718 DRSXSBKGTZKYNL-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#Cc1nccs1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363524086 DVEVFZYZZRYBMZ-KGLIPLIRSA-N 413.565 1.895 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCC[C@H]1CNC(=O)OC(C)(C)C 2365208010 RCYAJZRYKULOSO-KHYOSLBOSA-N 402.557 1.457 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367782984 CPDHJCQFCZLFHM-HRCADAONSA-N 400.541 1.556 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CCNC(=O)OC(C)(C)C 2367819370 OUPNZOBRLZVVHH-CRAIPNDOSA-N 402.557 1.601 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CC[C@H](S(C)(=O)=O)C1 2368847114 MEMJRPSISADLBM-STQMWFEESA-N 400.375 1.840 30 10 HDEE COCCCn1c(=C(C#N)C#N)s/c(=C/c2ccccc2Br)c1=O 7109676 VZUADALOVOIQIR-OQLLNIDSSA-N 404.289 1.735 30 10 HDEE C=CCSc1nc2ccc(NC(=O)CSc3nnc(NN)n3N)cc2s1 21036297 FOIHZKWVECGXDV-UHFFFAOYSA-N 408.538 1.896 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3ncccc3C#N)CC2)NC(C)=O)cc1 105473697 GQNDSUXJJCINSV-FQEVSTJZSA-N 407.474 1.878 30 10 HDEE O=[N+]([O-])c1cccc(-c2ccc(C=NNC(=S)N[C@H]3CCS(=O)(=O)C3)o2)c1 254795522 PIJAXKCAYLAJHJ-LBPRGKRZSA-N 408.461 1.840 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCOc3c(Br)cccc32)C1=O 410251802 KFHBKSHKXWRPIA-GFCCVEGCSA-N 422.235 1.366 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)CC1 437755192 XEQCTCWVMHDFKE-LJQANCHMSA-N 402.495 1.696 30 10 HDEE Cc1cc(O)cc(=O)n1CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 437813457 DSXPHOFZWUTUFC-QGZVFWFLSA-N 412.471 1.664 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)cc2Br)CC1 438129055 JAXCDYWOWQQMTR-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1 439313987 IHXDNAHQCKVGMB-MWDXBVQZSA-N 415.446 1.559 30 10 HDEE Cc1cc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn(C)c1=O 446203887 BGVMYSBBLSVEBF-UHFFFAOYSA-N 409.446 1.405 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(CCOC)Cc1ccnn1C 460934094 HITALFNNSUCIPC-UHFFFAOYSA-N 410.482 1.888 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 460956250 FARMGMDHMNUGBK-KRWDZBQOSA-N 420.535 1.764 30 10 HDEE COc1ccccc1-n1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cn1 462456793 OJCOHRRSTYXSPU-UHFFFAOYSA-N 424.486 1.658 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 463379787 FRJDRUFKNIHYMO-UHFFFAOYSA-N 409.471 1.617 30 10 HDEE COC(=O)c1ccc(-c2nc(CS(=O)(=O)CCC(=O)N(C)CCC#N)co2)cc1 479025027 HAXXHRXPTMOSCK-UHFFFAOYSA-N 419.459 1.805 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnn(-c2ccccc2)c1 480473564 XPYWCPNVNGMTPB-HNNXBMFYSA-N 409.471 1.727 30 10 HDEE Cc1nc(C2(NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CCCC2)no1 480521739 GFFPRAVQQHRMRQ-LBPRGKRZSA-N 403.464 1.502 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@]1(C#N)CC1(C)C 484901507 SYHWVOVOENZSEK-FQEVSTJZSA-N 420.535 1.443 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 490047827 KKNWBIJTXNZERS-OAHLLOKOSA-N 421.500 1.589 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 505165785 MZWGRIHGDIOMRU-KRWDZBQOSA-N 410.405 1.956 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)COc2ccc(C#N)cc2)CC1 507472322 ZMSAKBZKBBJNRP-FXAWDEMLSA-N 400.523 1.363 30 10 HDEE Cc1sc(=O)n(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1C 523671469 MFPWWHBODDTFFP-OAHLLOKOSA-N 402.501 1.939 30 10 HDEE CN(CC(=O)NC1(C#N)CCC1)[C@@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 527377879 YGLHUXHGCQWZJZ-QZTJIDSGSA-N 414.554 1.286 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)Cc2cccc(C#N)c2)CC3)CC1 550093905 TYRKSIFGGACJMU-IBGZPJMESA-N 420.517 1.064 30 10 HDEE C[C@@H](C(=O)NCC(=O)Nc1ccc(I)cc1)n1cnc(C#N)n1 551338042 LOVNSYGWEYUJKV-VIFPVBQESA-N 424.202 1.070 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 555288608 XUGNDANWFMATFG-ZDUSSCGKSA-N 407.412 1.965 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(C[C@H]4C[C@H]3[C@@H]3CCC[C@H]43)C2=O)nc1 581688398 ZSGDUFBDBCZVTG-XNXCIOHSSA-N 414.487 1.474 30 10 HDEE CCOCCCNC(=O)C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586861270 ZCOLZIRLRNTCPS-UHFFFAOYSA-N 418.469 1.095 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 609146452 DJXPXQNYEZMRKD-GHTZIAJQSA-N 414.550 1.557 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CCN2C1=O 610636578 IAUMSVSJMFACMD-HNNXBMFYSA-N 401.492 1.466 30 10 HDEE C[C@@H]1CCCCN1S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 718795546 ALWQLKFZEPYGOU-GFCCVEGCSA-N 401.363 1.651 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@@H]1CCCO1 726180299 ZIYKEPFFHPMPCN-INIZCTEOSA-N 414.531 1.331 30 10 HDEE C#CCN(CC(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 731213617 IMLKAKMUQKKNIN-IBGZPJMESA-N 414.531 1.228 30 10 HDEE N#C[C@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CCN1C1CC1 732648882 LDXOICZFHVMBAT-NSHDSACASA-N 407.257 1.788 30 10 HDEE CCS(=O)(=O)C[C@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 733200378 DNYHGWXZVZXUDV-FZMZJTMJSA-N 415.512 1.717 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)c1ccc(S(N)(=O)=O)cc1C#N 742397389 CJUJJCYDIWLKNT-UHFFFAOYSA-N 423.516 1.514 30 10 HDEE C[C@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742591386 ZGCVEVDIQRAYEO-CQSZACIVSA-N 424.486 1.401 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)N(C)CC(=O)NC1CC1 744840133 NFPDIUDOLQQGFJ-KUHUBIRLSA-N 401.463 1.630 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CCNS(=O)(=O)c2cccnc2)CC1 749529377 AKWSCAQANZFCGM-UHFFFAOYSA-N 413.503 1.407 30 10 HDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1=O 749533091 IOFUXIOPAMWURL-FPOVZHCZSA-N 423.561 1.976 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)C1 749781252 KCXAZZJYXXEBMG-CPIUSTHESA-N 411.568 1.491 30 10 HDEE C[C@H](O)[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470327 GCGBVQWQAUYYDS-LHSJRXKWSA-N 422.437 1.479 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccc2)c1=O 758053991 WXDZSDOEDXLDDH-UHFFFAOYSA-N 400.459 1.938 30 10 HDEE C[C@H]1Oc2ccccc2N(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1=O 760400994 HGNIIYBYRISLCI-CQSZACIVSA-N 405.476 1.721 30 10 HDEE CC(C)CNC(=O)N1CCC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760401015 HUZHHEGYCLWVOK-MRXNPFEDSA-N 412.556 1.984 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)c1ccccn1 764960328 AHUIZPWVHNCLHT-KRWDZBQOSA-N 416.503 1.530 30 10 HDEE CC[C@@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCN1CC(F)F 765714833 IQRLLHPGCMAVDP-QGZVFWFLSA-N 405.449 1.941 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2c(F)cccc2F)C1 771258930 LLKILBRLVXFHMU-AWEZNQCLSA-N 419.409 1.836 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(C)C)cc2)N(CCc2nnnn2C)C1=O 771535991 BIUPQBZQTHGGJV-HNNXBMFYSA-N 415.523 1.644 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ccccc2)C[C@H]1CC)c1cc[nH]n1 772547725 JLGCBCNYVXVPLV-MRXNPFEDSA-N 413.478 1.821 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCn2c(C(C)C)nnc2[C@H]1C)c1cc[nH]n1 772640018 JMXPXOBUZMSYNK-GFCCVEGCSA-N 403.443 1.012 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1C)[C@H]1CCS(=O)(=O)C1 774037777 GKXFRIPFQZTDEL-KRWDZBQOSA-N 403.504 1.885 30 10 HDEE C#CCN(C(=O)Nc1ccc(C)cc1OCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 774038418 JCDWETNVFCGVLB-OAHLLOKOSA-N 407.492 1.116 30 10 HDEE C#CCN(C(=O)Nc1ccc(OC)c(N2CCOC2=O)c1)[C@H]1CCS(=O)(=O)C1 774053013 MOCDBRSFBZNECT-AWEZNQCLSA-N 407.448 1.306 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 774199379 JOLUQLCCXHFUCU-VQTJNVASSA-N 403.548 1.383 30 10 HDEE C#CCN(C(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 774227661 PTCOUOFYHVAWAC-OAHLLOKOSA-N 408.480 1.537 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 774856019 CUCCSVAZPYPCLX-SZGQWAQFSA-N 421.498 1.600 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 781001498 OAPDEHVLYFVNDT-HBMCJLEFSA-N 404.470 1.307 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)n1 788366394 OJLHJADZEQSWBY-HSZRJFAPSA-N 421.501 1.402 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)n1 789324360 JYICLNKHGKTBJL-UHFFFAOYSA-N 417.554 1.070 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@]3(C(=O)OC)CCSC3)ccc2c1=O 797748453 LEYDYTUFDSLJIY-SFHVURJKSA-N 405.501 1.650 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3COCCO3)n2CCc2ccccc2)CCN1C1CC1 802299934 NRFHGNGVQLKKLT-PMACEKPBSA-N 408.506 1.785 30 10 HDEE CSCCNC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Br)c1 807980539 UNRPCNYNEBMCMK-UHFFFAOYSA-N 411.372 1.258 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)[C@@H](O)c1ccccc1 808948581 ARGKLGGLKRCCDL-RDTXWAMCSA-N 404.430 1.624 30 10 HDEE CC#CCN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 819249375 LBJDPYVZKUKVOG-UHFFFAOYSA-N 415.309 1.565 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)[C@H]1c1ccnn1C 1127757421 RPZKCYKWROCNDV-OLMNPRSZSA-N 401.854 1.743 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](C(N)=O)c2ccccn2)C1 1141342501 CDDVEOPCRAXBST-MRXNPFEDSA-N 414.263 1.495 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1S(=O)(=O)NCC#N 1142945767 RPLGWGMHLRBIRR-QZTJIDSGSA-N 414.487 1.842 30 10 HDEE C=CCCSCCNC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1146396198 MILCVLDPLIRDQB-UHFFFAOYSA-N 400.522 1.552 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1)C(=O)OC 1161364655 GFGXVHJHAMNTHE-SFHVURJKSA-N 400.456 1.806 30 10 HDEE N#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1177388855 FIEUEMRBDPWPNE-OAHLLOKOSA-N 419.503 1.621 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1179551097 CBONULZFSQHTHP-ZBFHGGJFSA-N 407.492 1.069 30 10 HDEE CS[C@@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@H]1N(C)C 1188327601 FTGIZHYSSREGLM-ZIAGYGMSSA-N 404.355 1.987 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234023390 HHDIWLIEODPFGO-QZTJIDSGSA-N 418.519 1.662 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1286290327 RNVNCMYPMOMSSA-JKSUJKDBSA-N 422.489 1.548 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286393023 JVKUKCIFXFHVHW-MOPGFXCFSA-N 414.531 1.765 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1nc(C)c(C)s1 1286460216 BJQKFEHAJUCFCD-UHFFFAOYSA-N 404.540 1.818 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1286470286 WPDVSWVOFNCNRX-INIZCTEOSA-N 414.476 1.420 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C(N)=O)nc2)CC1 1286475493 AREUANZHMAMHDK-UHFFFAOYSA-N 415.501 1.551 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1286540500 BJXSTUPSORTCEP-RWMBFGLXSA-N 421.361 1.948 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286712289 VPFPUAAQBVNPTD-HNNXBMFYSA-N 410.478 1.910 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1286716543 ONFOSOMNQCXCAK-UHFFFAOYSA-N 411.510 1.416 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC(C)C)C1 1286787999 OCQCNVRAXHPIOH-JKSUJKDBSA-N 409.556 1.355 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)on2)nnc1[C@]1(OC(C)C)CCOC1 1286793426 XSDAUCYGQHFTMH-FQEVSTJZSA-N 418.498 1.554 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1286803413 HGYVEEKQFKCGIL-BMQTXXJKSA-N 422.526 1.251 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCOC1 1286954223 IOBQCKZTIFIEEQ-SFHVURJKSA-N 412.494 1.728 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1287144136 FDQFGYDATWIJRW-YADHBBJMSA-N 408.506 1.940 30 10 HDEE CC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCCO)CCO1 1289044790 TUCLYWWCBSUGSD-UHFFFAOYSA-N 415.494 1.743 30 10 HDEE C#CCN(CC(=O)NCc1ccc(C(=O)NCCN(C)C)cc1)C(=O)OC(C)(C)C 1293203839 SCTQBWDZPGUQGV-UHFFFAOYSA-N 416.522 1.465 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)COCC3CC3)C2)C1 1294796759 XONUYBDQMJXYTQ-JWRWLIQVSA-N 407.511 1.677 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298076493 MSDZBIITBWASMS-PKOBYXMFSA-N 415.586 1.936 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1298341165 CZUOAIZXLFQCBF-IBGZPJMESA-N 417.473 1.727 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1300381804 IZAHBQMLVANUDY-UHFFFAOYSA-N 414.510 1.831 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300422895 AOAKRCWIGBXSJJ-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1CCCS(C)(=O)=O 1300545702 VSRQNIMMSKNYGG-UHFFFAOYSA-N 400.504 1.673 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1300706425 LTGVHJDVJAKEEC-RXVVDRJESA-N 414.554 1.217 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3cc(N4CCNC(=O)C4)ccn3)CCOCC2)c1 1300989174 IAHPAYMJRJHSRG-UHFFFAOYSA-N 405.458 1.325 30 10 HDEE C=CCCOCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OCC)CCOC1 1301261513 HAIXRIGTIDVFFJ-FQEVSTJZSA-N 417.514 1.443 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NC 1301289393 DQYRGDIEUWIXOL-UHFFFAOYSA-N 409.494 1.586 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccoc1C 1301578423 AKXNARKTHHLUNM-UHFFFAOYSA-N 404.496 1.817 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 1301625184 JDRVESUKMDFKDM-UHFFFAOYSA-N 411.487 1.459 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCOC1 1302145556 MUGMYXFHWIXXES-NRFANRHFSA-N 412.494 1.553 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1302844327 CZNPOMFPVXQURX-LDJQZATESA-N 424.505 1.855 30 10 HDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOCCCO)CC1 1303001805 KTDSULNFGLIVRV-UHFFFAOYSA-N 418.523 1.409 30 10 HDEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)NC1CC1 1304200659 NVJBGVNLLRVLHP-UHFFFAOYSA-N 420.487 1.614 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)n1 1304756276 LQKXZRIIOUZVBQ-UEXGIBASSA-N 413.526 1.810 30 10 HDEE C[C@H]1C[C@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1304931499 CXZJUDHSOLEKBR-YYIAUSFCSA-N 402.499 1.446 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCCCO 1305119712 BIULJZSGZQIMEW-INIZCTEOSA-N 421.509 1.813 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCC(n2cnc(C(N)=O)c2N)CC1 1307767327 IXMJIXQICGSUTJ-CQSZACIVSA-N 416.551 1.866 30 10 HDEE CCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1309023615 CRJWPIQZZLKMGN-UHFFFAOYSA-N 401.286 1.357 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](NC3CCOCC3)C2)C1 1312468804 IFOWNNYBDCHSSH-CGTJXYLNSA-N 421.542 1.688 30 10 HDEE CC[C@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)OCCc2ccccc21 1312815990 BLJANQPRJADAID-PWIZWCRZSA-N 403.504 1.444 30 10 HDEE CCn1cnnc1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1313854907 FQQFZONKKRTHLP-DNVCBOLYSA-N 402.503 1.574 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)cc2C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1341217063 LRFFBXIKDRTCAH-QGZVFWFLSA-N 402.520 1.835 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 1356473873 DCPFJYGEQCZYRX-UHFFFAOYSA-N 415.427 1.372 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1358926237 HZBJGFUNBMHORH-KRWDZBQOSA-N 418.567 1.805 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1 1358985377 XKLWMUWAUJFQAQ-GOSISDBHSA-N 413.547 1.902 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359048438 QTKRTDNIZXMGEB-HZPDHXFCSA-N 416.551 1.128 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359197647 VSEKLDXFZAFEGK-QGZVFWFLSA-N 418.542 1.600 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1359281679 GXNJVHRDJCOEFK-SJORKVTESA-N 423.583 1.303 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359299914 POCTYCVIJRHTNI-ROUUACIJSA-N 420.558 1.021 30 10 HDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1359619830 FNFCNLOAUHURSK-SFHVURJKSA-N 423.521 1.646 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCOC(C)(C)C 1360692924 BWGRODNHFHEAEL-KBXCAEBGSA-N 412.560 1.833 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@](C)(O)C1CC1 1360693060 DRNSIVJQHARSPJ-MORSLUCNSA-N 410.544 1.179 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1452855431 CHVIYCMRGVKVDR-INIZCTEOSA-N 406.529 1.773 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](CCC)NC(=O)NCc2ccc(Br)cc2)C1 1456812275 ZKMCEMMZMXMDPX-HNNXBMFYSA-N 408.296 1.624 30 10 HDEE C[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN(Cc2ccccc2)C1 1461269065 BOCDYGRLLOOAGZ-OAQYLSRUSA-N 412.515 1.506 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCc2nnc3ccccn23)ccc1Br 1464566199 HJBSEOKZNKRQQG-UHFFFAOYSA-N 406.265 1.884 30 10 HDEE N#C[C@H]1CN(C(=O)CCCCn2cnc3c(N)ncnc32)CCN1Cc1ccccc1 1465074069 HYKFFMVPCKUIHA-SFHVURJKSA-N 418.505 1.815 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CC[C@@H]2NC(=O)N(c3cccc(C)c3)C2=O)CC1 1472562073 PXIFDLYLAOLQSL-INIZCTEOSA-N 412.446 1.505 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ncc(Br)cn2)c1 1475758114 MXZWGAXXYZIICW-UHFFFAOYSA-N 411.281 1.633 30 10 HDEE CCNC(=O)[C@@H](NC(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC)C(C)C 1476379737 IADXYKNKXNDTDW-AWEZNQCLSA-N 407.471 1.465 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCc2c1ccc(=O)n2C 1478904698 FOJKXQJCNDFJSJ-ZBFHGGJFSA-N 407.478 1.345 30 10 HDEE C=CCN(C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CC1 1478933670 BQKKNHUWDQPAGV-UHFFFAOYSA-N 422.551 1.507 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(Cl)cn2)CC1=O 1503682090 HLDJAHADUZXHSI-UHFFFAOYSA-N 410.869 1.645 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)c1 1504338431 FILRAKJVIWETJF-VOBQZIQPSA-N 401.442 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC(C)C 1507521252 LGJYPHLUBSMDAG-HNNXBMFYSA-N 405.524 1.739 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CC[C@H](CO)O1 1507547807 XPCOQUIVYPSWPN-ZYSHUDEJSA-N 400.479 1.864 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507583825 WQWWSPNNGCJEPA-UHFFFAOYSA-N 421.549 1.806 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507596084 BLPWOGCEQUCYTG-GOSISDBHSA-N 400.527 1.287 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1507831810 FWPAHBKPIUQGKB-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1508081206 HVRAGSICPHAQQL-JOCHJYFZSA-N 422.464 1.879 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](OCCOC)C1 1508089301 WVESFSNDLHSQEN-INIZCTEOSA-N 400.483 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508137739 QQPKKVYRJDTREV-MRXNPFEDSA-N 415.523 1.051 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@H]1COCCO1 1508995371 FLIXOLQXOPFNEN-SFHVURJKSA-N 411.510 1.800 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccc(Br)n1 1511889907 NMUMFLGZUQZCCG-HNNXBMFYSA-N 402.300 1.969 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@@H]1CCSC1 1517067588 QVJQCUXZTFOXBA-HZPDHXFCSA-N 412.519 1.949 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1)OC 1518718935 AQWHWFJUNTYLQM-KURKYZTESA-N 401.467 1.328 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1 1519303913 JFMSFSZKHPRNRD-MSOLQXFVSA-N 404.463 1.990 30 10 HDEE C#CCOCCC(=O)N1C[C@@H](NC(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)[C@H](C(F)(F)F)C1 1522386527 MXCHSYCXMYYDFG-DEQQHWRFSA-N 402.413 1.347 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N 1529175431 KQESWGLXTOKQBI-AWEZNQCLSA-N 408.252 1.143 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3cccc(Br)c3)CC2=O)cn1 1535447053 SPXRJSZIXBVLKC-SWLSCSKDSA-N 402.252 1.917 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)ccc21 1536360735 GIHUWKUJUGQSBZ-HXUWFJFHSA-N 402.454 1.481 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1539095020 YNMREYRGUAIIOR-AWEZNQCLSA-N 420.495 1.846 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)(C)C)nc1 1539178018 DKFNARTZMAFBTB-MRXNPFEDSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccsc1)[C@H]1CCS(=O)(=O)C1 1539203534 RRPUQECPHBWXAD-QFBILLFUSA-N 422.576 1.997 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1539232538 HCZGLFROSUEBHE-XLAORIBOSA-N 405.502 1.456 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Oc3c(C)nn(CCC#N)c3C)ccc21 1539280894 PATCTPKDORHRGN-UHFFFAOYSA-N 409.446 1.658 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C(C)C)C(C)C)CC1 1539446055 PDNDSSNPSDWMOG-GOSISDBHSA-N 401.559 1.103 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCOCC2)CC1 1539466541 BAYZBZPWNHTKJL-UHFFFAOYSA-N 403.527 1.083 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539520233 QIPVMEFYVUERLK-MRXNPFEDSA-N 413.613 1.609 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2c(cccc2OC)C1 1540908602 JSLJJBXMFCVTPL-UHFFFAOYSA-N 420.535 1.987 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCN(C)C1 1541115859 GDVVLQIZFSINKM-YWMUFLPLSA-N 412.494 1.453 30 10 HDEE C[C@@H]1CC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1543680306 GVZOUMLNDIYBPE-INMHGKMJSA-N 402.499 1.333 30 10 HDEE COC(=O)[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@H]1c1ccccc1 1544571801 KLPVOPZCHQQTGG-GIMINZRKSA-N 405.458 1.732 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1546600904 SOUGHVCUBUKPET-IVCWUWDKSA-N 424.509 1.830 30 10 HDEE CCCN1CCC(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)CC1 1547168274 KAKQXISMDDUHDF-HKUYNNGSSA-N 420.558 1.853 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2nc(C)no2)C[C@H]1OC 1555787383 IDYIHIJFTLWIAN-HDICACEKSA-N 423.477 1.991 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1c(F)ccc(S(=O)(=O)NC2CC2)c1F 1556466270 PGXYZHZDGOWIQK-UHFFFAOYSA-N 401.479 1.985 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)C2)C1 1556503550 XZTJHNSJELMLQY-PZLQNSFZSA-N 418.538 1.441 30 10 HDEE Cc1nsc(N2CCN(C(=O)Cc3nc(C4CCOCC4)n[nH]3)CC2)c1C#N 1556843094 YPKQVBLCXYBODM-UHFFFAOYSA-N 401.496 1.227 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)c3cccnc3)CC2)cc1 1557085292 HYQGANGUXWYURQ-IBGZPJMESA-N 414.487 1.204 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNc3ccc(S(N)(=O)=O)cc3F)CC2)nc1 1557594998 ATBFZSHMRVZEBL-UHFFFAOYSA-N 417.466 1.558 30 10 HDEE Cc1nc(SCC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c(C#N)c(C)c1C 1558046909 DSMGIOXCHIQXCR-HNNXBMFYSA-N 402.520 1.460 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2nc3ccccc3s2)CC1 1564072856 BBNHCGZAHHUEFH-ZDUSSCGKSA-N 407.521 1.152 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2(OCCO)CCOCC2)CC1 1567950286 XYDCFXAMADILSN-UHFFFAOYSA-N 410.511 1.311 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2C)C1=O 1583754203 PEFKEPXVHDFCAI-GFCCVEGCSA-N 401.419 1.126 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1585296915 NRPISNIJIOYFSB-TVLZRCRESA-N 406.483 1.568 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)cc2F)cc1 1585573650 IFMRVNYPSWREJY-UHFFFAOYSA-N 404.419 1.454 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1 1587591899 HHLOPDJSKIUHNG-UHFFFAOYSA-N 421.500 1.755 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)OC2CCCCC2)s1 1587702986 GHWXSOLYKONEDL-UHFFFAOYSA-N 400.522 1.747 30 10 HDEE O=C(N[C@@H](CO)C(=O)Nc1cccc(C#Cc2ccccn2)c1)c1cccc(F)n1 1587860923 OUKUQHQNALGYDP-IBGZPJMESA-N 404.401 1.745 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1OC 1587904746 MVEJEWTUERIKAV-UHFFFAOYSA-N 401.467 1.560 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1588265617 FKNLOAMIYRTVLF-INIZCTEOSA-N 424.571 1.141 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCOC1 1588574894 VPLMDNAQDCVGPY-IIBYNOLFSA-N 418.469 1.795 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CCC(C)(C)O)CC1 1588779767 CDBHCYAMGAGMAG-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC(=O)N[C@@H](C)CC)CC1 1588806677 ZKVQCHFRPVAGGW-KRWDZBQOSA-N 409.538 1.709 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@H]1OC 1589143134 ZAXJPPURRIRSSG-DRSNIGMVSA-N 424.505 1.969 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1595506964 RVMXWDVWSXJTII-GFCCVEGCSA-N 420.876 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@](C)(OC)CC1 1595798441 PMDANCRTMQVQNS-VQIMIIECSA-N 412.556 1.778 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCOC2=O)cc1 1596925817 UXYZXQGVZBKIMG-SILNSSARSA-N 408.480 1.670 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc1S(=O)(=O)N1CCOCC1 1598393856 AUJSVBFLQWXKLX-AWEZNQCLSA-N 405.398 1.590 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1612929346 YYPWCPUWYWRVMZ-LTRYHMRKSA-N 413.507 1.741 30 10 HDEE COC(=O)c1ccc(N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c(C#N)n1 1613069204 UQAGQKXYSZEQJO-MEBBXXQBSA-N 403.382 1.686 30 10 HDEE CCCNC(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1614914812 FPSAOKQFAZNZEY-HNNXBMFYSA-N 420.477 1.991 30 10 HDEE O=C(NC1CCCC1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccc4c(c3)OCO4)S[C@H]12 1616174980 ISTUZDBONWDDQH-FRULXJFHSA-N 419.503 1.277 30 10 HDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1617368388 QKJINAOEQRUSLU-MSOLQXFVSA-N 402.524 1.660 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCc1ccccc1OC 1618521915 UECLSXGMIGJQQX-KRWDZBQOSA-N 417.506 1.777 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1618582427 FRARSAQEOVYSAV-NRFANRHFSA-N 412.494 1.178 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1620111487 WCQGVQOOQALTFB-BZSNNMDCSA-N 418.542 1.605 30 10 HDEE CN(CCOCCO)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1626161306 YAIJANWNJZWLHC-GOSISDBHSA-N 403.479 1.860 30 10 HDEE C=CCOC[C@@H](NC(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1626205047 VBTVQRBJXFMXJH-OAHLLOKOSA-N 400.472 1.263 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1626744696 IXCIQTQDMKTUFL-QGZVFWFLSA-N 411.572 1.394 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1627015519 UCXRCCKUSDGUIY-KRWDZBQOSA-N 420.554 1.163 30 10 HDEE N#Cc1cn(CCC(=O)N2CC[C@H]3[C@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1629722053 FBKSGYNPBQMXJB-QUCCMNQESA-N 421.501 1.724 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1633301188 KNXKCVWZUNGCIM-ZFWWWQNUSA-N 407.492 1.518 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@]2(C1)NC(=O)NC2=O 1634534963 OVYKXJLVANMWCZ-GTNSWQLSSA-N 400.863 1.223 30 10 HDEE Cn1nccc1[C@H](O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635727470 SAROVBWJIMVJLM-MRXNPFEDSA-N 404.268 1.340 30 10 HDEE COc1ccc(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1C#N 1636070162 ZRSBHTKEDYRYTA-UHFFFAOYSA-N 421.500 1.965 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(=O)c2ccccc2[nH]1 1636252874 QOCPLSDXOFPWKJ-CYBMUJFWSA-N 410.455 1.383 30 10 HDEE Cc1nc(SCC(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c(C#N)c(C)c1C 1636570993 HKORBAVYVWTMDE-AWEZNQCLSA-N 411.553 1.145 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1637756777 BNFIIUUNCAYQGY-INIZCTEOSA-N 409.464 1.790 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 1641378947 KRRTXMDXSYZHAR-OAHLLOKOSA-N 409.851 1.861 30 10 HDEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1643916262 UFVRWBVQQADCBS-GOSISDBHSA-N 412.462 1.033 30 10 HDEE CCN1C[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CC1=O 1644530594 WXMIVHRDDFNGRN-OAHLLOKOSA-N 420.535 1.270 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1)c1cc[nH]n1 1651360554 BYPIVNIPQUXHDW-MRXNPFEDSA-N 403.414 1.006 30 10 HDEE Cc1nc(C#N)n(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c1C 1652988358 ULULTIRXCJDSOW-UHFFFAOYSA-N 405.455 1.044 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCC#C[C@@H]2CCCCO2)C1 1653545211 XXYVRTCWJOJBSE-JKSUJKDBSA-N 414.524 1.099 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C[C@@H](O)COc2ccc(CC#N)cc2)C1 1655764807 ODUUWTOXCAHEHC-XMSQKQJNSA-N 419.522 1.844 30 10 HDEE C#CCCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1666118255 FRNCQHSTDVWPJN-UHFFFAOYSA-N 407.311 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnn(CCC(C)C)c2C(C)C)CC1 1669670679 VHVBTBDOCJSAHH-UHFFFAOYSA-N 424.571 1.670 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1669875115 GJBUFDIXLWFQJQ-UFBFGSQYSA-N 407.261 1.557 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1 1671879394 AHQKUKRFZYJIQL-ALLBUHFWSA-N 402.451 1.617 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCC2(C#N)CC2)CC1 1672237367 FJEYDCVBMVVTHO-HNNXBMFYSA-N 405.499 1.543 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@]3(C)COc4ccccc4O3)CC2)c1C#N 1684177062 FMSKEJVXLKQBNM-NRFANRHFSA-N 410.478 1.662 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1689888829 RQXZAAXRCFHIRV-MSOLQXFVSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCc2nccn2C1 1689951095 LWYISXJRYVYXKV-MRXNPFEDSA-N 424.530 1.877 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1689976622 RCLRZNDSGQIGEQ-XFQAVAEZSA-N 419.526 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H]1COCCO1 1690034835 TVAWEJPGXOYDLB-RXVVDRJESA-N 402.495 1.199 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1690096032 LBHUIJKDXLUSHD-UHFFFAOYSA-N 420.395 1.581 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1690238530 KOQSWUGZAWFUMP-FZKCQIBNSA-N 413.544 1.095 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1690507857 YUNWEMHYZOOKRN-NVXWUHKLSA-N 401.467 1.993 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1690577552 JGNOLBCAXIMYSI-CQSZACIVSA-N 408.549 1.959 30 10 HDEE C=CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1[C@@]1(OCC)CCOC1 1690653612 YOGPEIZXRQWNRD-OAQYLSRUSA-N 409.494 1.709 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](OCC=C)C1 1690674309 WNAVNBNECOZJML-GOSISDBHSA-N 421.505 1.600 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1C(C)(C)C 1690677058 LSRDNQUPCZDFMZ-UHFFFAOYSA-N 417.558 1.604 30 10 HDEE CC[S@](=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1696525967 ALQDHGUXPHNUOO-IYFHLELXSA-N 413.519 1.529 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCCO1 1698171183 XFARPVSSROOELL-BHIYHBOVSA-N 418.542 1.748 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1705477769 RSQZGKNJGHRJHG-CABCVRRESA-N 405.524 1.793 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1705488978 YCYQZFUWEWHZOD-QGZVFWFLSA-N 410.522 1.576 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1705564028 JQGWVOIXNFJNSI-QGZVFWFLSA-N 415.519 1.257 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCCN(CC)S(C)(=O)=O 1705581555 FENAXHQUIULECI-KRWDZBQOSA-N 407.540 1.264 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 1705638913 BBCITHKQKTZEGW-FQEVSTJZSA-N 409.538 1.784 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1705652689 JGJWTSUIROJLHF-ZDUSSCGKSA-N 417.457 1.648 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1705731186 SEZAWJXNROJZHM-CVEARBPZSA-N 400.483 1.725 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1705908741 VINOISZLADDWBJ-MRXNPFEDSA-N 408.506 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705932472 UQKHMIBJLWAJAU-IRXDYDNUSA-N 419.551 1.747 30 10 HDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)n[nH]1 1707770820 HYOSQUHXAXLGSB-UHFFFAOYSA-N 422.493 1.607 30 10 HDEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCNS(C)(=O)=O 1709068163 CFYPSMKBSAZDBJ-UHFFFAOYSA-N 400.508 1.555 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1710198769 LQTXKXCXUOETLO-INIZCTEOSA-N 408.466 1.614 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1722405412 LHEXZZBDBXSPLF-UHFFFAOYSA-N 417.539 1.094 30 10 HDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1722481524 BLGFUWBLHVUQOX-UHFFFAOYSA-N 422.331 1.440 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1722522244 GHYYCBUYEJHFOB-INIZCTEOSA-N 411.510 1.926 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccc(C(C)C)n2)CC1 1722687807 LOXKJKLAPNRMMA-UHFFFAOYSA-N 410.526 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1722694069 KOCJCVDDOMMIOB-MRUHUIDDSA-N 415.494 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722730485 UDGLCOUOJLDWHH-KXBFYZLASA-N 410.540 1.216 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1726753770 GIEZKFKJFGVTMS-OAHLLOKOSA-N 424.534 1.933 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CC[C@@H](C(F)F)N1CCOCC1 1729005937 SSNHFSJCTDEMNP-INIZCTEOSA-N 412.485 1.911 30 10 HDEE CO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1730372676 FQXVPBWEVBUHLW-ZFWWWQNUSA-N 405.480 1.308 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1731063173 CMUOEYCOPKCQBB-GUYCJALGSA-N 408.503 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1740548551 IPJPLJJZDVNJSI-WMLDXEAASA-N 419.507 1.188 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740553584 MDQFPRCZIWOFDW-JYJNAYRXSA-N 415.460 1.893 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1740616335 ZAAZVAYNFBIOKI-MSOLQXFVSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1740640013 YQSMPKWGSAJCBA-FCHUYYIVSA-N 419.529 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCCC1 1740646263 UNJIPPKGEVVIHM-MRXNPFEDSA-N 407.540 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC(F)(F)CO1 1740647670 XOPXHEUDADNLDA-APWZRJJASA-N 408.449 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccnc(-n2cccn2)c1 1740684216 YKDPAOYPFJDDMF-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCN1CCCCCC1=O 1740686152 UDGCUPWSUPJTRL-SFHVURJKSA-N 403.527 1.661 30 10 HDEE C=C(Br)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1740749957 ITPARRLLYKKEQT-ZENOOKHLSA-N 415.288 1.400 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1740783471 IZBCAZJIPAUQAX-UHFFFAOYSA-N 406.494 1.570 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740796161 QSGLUPKNCBKXBP-UTKZUKDTSA-N 419.526 1.377 30 10 HDEE C=CCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1740881963 VVPSJWYIUVKJOU-CSODHUTKSA-N 403.527 1.953 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1740919476 HKYVJYDPAXYPAJ-NRFANRHFSA-N 417.485 1.899 30 10 HDEE C=CCn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740949577 LNBRKPVFJQUNHO-YJBOKZPZSA-N 413.544 1.023 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC(=O)N(C)C[C@H]1C 1740963777 WYSKXFSVAPEIIM-MRXNPFEDSA-N 421.505 1.250 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)C1 1740973238 STUJQNHLSQBBBX-UONOGXRCSA-N 401.533 1.095 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCn2cncn2)CCOC1 1741722515 BVHIMFJGPVGZKS-FQEVSTJZSA-N 414.514 1.740 30 10 HDEE CC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1744123802 CTYPEDOIBGSYSV-SJORKVTESA-N 403.508 1.865 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCC1 1747130135 MMFSYASZJKKDPT-UHFFFAOYSA-N 411.510 1.835 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749037127 BDNRXMNYJVQBKA-HOCLYGCPSA-N 404.540 1.189 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N(C)C 1749071806 SKEYJSXOCUTDRR-HXUWFJFHSA-N 419.526 1.892 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCNC2=O)CC1 1749199133 DVTBLFSADIXIHI-UHFFFAOYSA-N 401.515 1.361 30 10 HDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1749461139 NYIKKTRQSSKINY-XGHQBKJUSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC([C@@H]2CCCO2)CC1 1749677832 LWNXAFACFCXAOD-KRWDZBQOSA-N 416.526 1.098 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)cc1 1749683126 JMUZEJCKKKVKNZ-UHFFFAOYSA-N 424.505 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1749740573 GUFKXOQYJUSPOJ-BRWVUGGUSA-N 410.540 1.736 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1749884758 MLZGXJBZHICNGH-UHFFFAOYSA-N 407.478 1.930 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCO[C@H]2CCOC2)cc1 1750384482 BMPDQFKPDQNQKF-IBGZPJMESA-N 413.478 1.761 30 10 HDEE CC(C)(Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1750525147 CCBQQZUJOGJRJP-IBGZPJMESA-N 400.462 1.288 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C/C=C/c1ccccc1 1751230976 FOFCLRAXIKHMEX-KAFRUAOYSA-N 416.507 1.330 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCNS(C)(=O)=O 1760120936 RFXDOPWILJUHDW-OAHLLOKOSA-N 405.524 1.079 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1760171521 MLYLJMBOVBUZIA-RTBURBONSA-N 408.506 1.200 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@]1(N(C)C)CCSC1)[C@H]1CCS(=O)(=O)C1 1760188674 LLVOEMVBSUMLSG-QFBILLFUSA-N 423.608 1.220 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N[C@H](C)CC)CC1 1760258594 PHKRKKDHGKUCMU-GOSISDBHSA-N 419.533 1.877 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccnc2C)CC1 1760258801 SKQIUPUDMSLPOO-UHFFFAOYSA-N 412.501 1.913 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCOCC2(C)C)CC1 1760262274 KPDNSMODQYGBEC-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCS(=O)(=O)N(C)C 1760296806 WUVBZTILPUVCLW-LJQANCHMSA-N 402.524 1.147 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760441486 KDIBJDSDKYESNU-FQEVSTJZSA-N 423.565 1.973 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760522158 MRYNGEYRJZPUER-RVKKMQEKSA-N 413.478 1.300 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1Nc1cnn(C)c1 1760557283 GXJISIKBMROTGS-UHFFFAOYSA-N 404.500 1.218 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC1CC1 1760729110 DPTKNXYOCNATMB-UHFFFAOYSA-N 409.494 1.637 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC12CCC(CC1)C2 1761500135 FVPRMELJDKNXOW-YOFIQYCBSA-N 408.528 1.197 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1762035200 MRJOVXDRVQJKDY-OLMNPRSZSA-N 410.478 1.683 30 10 HDEE CC[C@]1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762455138 AUSLNLRRAIWEGI-LSJPXJTBSA-N 414.510 1.935 30 10 HDEE CCOC1CC(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1766113872 AXOLIYQPJDDOFD-UHFFFAOYSA-N 424.505 1.870 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1=O 1767522368 ZCTHBMLJOOPJQR-HNNXBMFYSA-N 402.405 1.519 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)C1 1767693811 DVAOGYUEQCICOW-PDRFFQIWSA-N 424.505 1.448 30 10 HDEE CCO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767721573 NRQGODJOEDRGOJ-GOEBONIOSA-N 419.507 1.698 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1767768291 SYWBALDTHDMBBZ-GOSISDBHSA-N 412.494 1.585 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)c1 1768357945 AOMFCTUJWLORQH-VFNWGFHPSA-N 414.510 1.767 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1769267795 UPTJTRUCXDXFOT-ZFWWWQNUSA-N 409.487 1.929 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1769272029 IBMZLEAGQUHWBD-KRWDZBQOSA-N 412.469 1.908 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccoc1 1770045395 ZLDAMMALMGNAQP-CRAIPNDOSA-N 400.483 1.820 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCOC1=O 1770411929 AFCHNUZUCCXQIZ-HNNXBMFYSA-N 412.450 1.525 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1771176859 WRLUZVUGIVVMBL-HDMKZQKVSA-N 419.482 1.755 30 10 HDEE CN(C(=O)CCCS(=O)(=O)Cc1ccccc1)C1CN(c2nccnc2C#N)C1 1849327846 MQBNYSPWWXZFNV-UHFFFAOYSA-N 413.503 1.390 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)CC1 1849550933 CVQQHORXIXSAKO-UHFFFAOYSA-N 419.894 1.234 30 10 HDEE N#CCc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1 1850013681 ATBKOCZSCHWEPE-ZDUSSCGKSA-N 404.414 1.800 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CO2)nc1 1852098154 ZGSCVLDZUYSOER-INIZCTEOSA-N 422.397 1.118 30 10 HDEE CCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1852776981 UDYRHSKRHRFYIT-KRWDZBQOSA-N 410.927 1.674 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N(C(=S)N=CN(C)C)c1ccccc1F 1852833727 GJJBTKYUSYVFMP-OAHLLOKOSA-N 414.528 1.848 30 10 HDEE CC(C)N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cc3c(cc2C#N)OCO3)CC1 1852858783 GRUAYZAVLOVJRO-GOSISDBHSA-N 412.490 1.373 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)c2nccc(N3CCOCC3)n2)c1 1853062159 QMJFONCHKKUIEX-UHFFFAOYSA-N 405.418 1.631 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@H]3CCc4ccccc4O3)C(=O)C2)cc1 1853878397 PBRIGZLVNJZVEN-OAQYLSRUSA-N 403.438 1.806 30 10 HDEE CCN(CCn1ccnn1)C[C@@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1854618891 WHMXHGSMVIPGSF-FQEVSTJZSA-N 408.506 1.870 30 10 HDEE CCOc1ccc2ccccc2c1C(=O)N1CCN(S(=O)(=O)CC#N)[C@@H](C)C1=O 1854694879 SXEKLEMYYJANMP-AWEZNQCLSA-N 415.471 1.765 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2=O)CC1 1854725026 SZPUVGYLSXYRQD-CVEARBPZSA-N 402.520 1.758 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cccc(C#N)c3)C(=O)O2)CC1 1855135061 KCTDRUICTQBLJQ-QGZVFWFLSA-N 405.476 1.969 30 10 HDEE CN(C)c1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1855389463 DGCIRWLUOGPRAJ-KRWDZBQOSA-N 401.444 1.786 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)C[C@@H]3CCCCO3)C2)CC1 1855858723 ZWLRWATVSDYGJM-HKUYNNGSSA-N 411.506 1.410 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(c4nccn4C)CC3)CC2=O)CC1=O 1855900932 ZAJHDPOOTNBWQG-SJLPKXTDSA-N 413.522 1.009 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855997013 JHQXGERTSJXWIY-IAGOWNOFSA-N 416.547 1.855 30 10 HDEE COc1cccc(CC(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)c1 1856913349 LDHLLOOTTFFMCR-UHFFFAOYSA-N 413.455 1.861 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1856970191 RAHCDIODCVZVRV-CQSZACIVSA-N 415.446 1.688 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(CC3=NCCO3)c3ccccc32)CC1=O 1857071176 FGWQOYAGUQSAKD-CVEARBPZSA-N 410.474 1.608 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)cc1OC 1857171278 JUUBKBFFEDLWEX-KRWDZBQOSA-N 400.479 1.366 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccn23)cc1 1858241748 BZHQTSWSGVCMGL-HNNXBMFYSA-N 423.454 1.375 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)cc1 1870095203 DEWHHJAUSDSSQE-UHFFFAOYSA-N 422.430 1.774 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(C(C)=O)CC2)cc1=O 1870383912 MVHNZCQFZVPXBJ-UHFFFAOYSA-N 416.522 1.090 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(C(=O)NCCc3ccc(OC)cc3)CC2)CC1=O 1872917436 BDHGROBHVXYHRZ-IBGZPJMESA-N 413.518 1.627 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(OC)c1O 1874444666 IJEZSHVLNWAKBE-YTTILGKYSA-N 407.452 1.312 30 10 HDEE Cc1cccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1[N+](=O)[O-] 1890106057 KGGHELGLTCBNIZ-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1891836870 CRBNDDCHUHDCSN-AWEZNQCLSA-N 422.470 1.703 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1C[C@H]2CC(=NO)C[C@H]1C2 2062820719 ZCXCNEZUBDKLBA-DZGCQCFKSA-N 405.476 1.707 30 10 HDEE Cn1nnc(Br)c1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2074368942 WGJIAHCJOJQKSO-QWRGUYRKSA-N 414.308 1.022 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)C1 2086045278 VJGXYSWYWQTTKH-WPZCVXBKSA-N 404.492 1.514 30 10 HDEE CC(C)OCCCN=C(NC[C@@H]1COCCO1)N1CCN(c2ncccc2F)CC1 2087918076 OVFSIVRUDHPKGF-GOSISDBHSA-N 423.533 1.519 30 10 HDEE CO[C@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C[C@H]1OC 2116073250 OJILEXMCFQZDHS-OKILXGFUSA-N 413.121 1.993 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 2174786594 LFMLWJHNWGZRPC-OAHLLOKOSA-N 402.561 1.691 30 10 HDEE C=C(CN(C)C(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2243663973 KDEXWMWOMZYRQV-ZDUSSCGKSA-N 411.308 1.401 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1 2247825428 DMQOIWUIYHXIOO-KGLIPLIRSA-N 420.319 1.598 30 10 HDEE C[C@@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247829838 WOYPHJFHIQHMLB-GFCCVEGCSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248486825 NDSIDJMGSITZOP-ZDUSSCGKSA-N 421.303 1.595 30 10 HDEE C=CC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2258180253 YJOPZEYLRVYBNC-INIZCTEOSA-N 410.492 1.873 30 10 HDEE Cn1cnnc1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354044 GVCLEHPJLLUKBF-UHFFFAOYSA-N 404.710 1.630 30 10 HDEE Cn1cc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)nn1 2267356004 JXNCGZJZCQQUPC-UHFFFAOYSA-N 404.710 1.630 30 10 HDEE C[C@@H](C1CC1)N(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270505454 GJSFNICGJURDHW-WMLDXEAASA-N 423.491 1.710 30 10 HDEE Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1C#N 2270521460 JBRGOQWKGFSWIL-KRWDZBQOSA-N 417.443 1.988 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC3(C2)OCCO3)c1 2281825429 SHPSRYIXBRCUDC-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CO[C@@H]1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H]1O 2281973824 CDTOYDMKHCKQAM-ADEWGFFLSA-N 401.721 1.969 30 10 HDEE Cc1cc(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282190000 NKXSUSASBUKVAG-RYUDHWBXSA-N 401.359 1.907 30 10 HDEE CCN([C@@H]1CCC[C@@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335303 NUFZDPBPWZIPJB-KGLIPLIRSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCC[C@@H]2N)OC1(C)C 2282489906 GLRUHGXZGWJMBI-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CC1(C)CC[C@@H](O)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498031 XYYIYLDYPWIZTR-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@H]2CN)OC1(C)C 2282505273 AVZHSOGPBFUAAK-AWEZNQCLSA-N 400.375 1.690 30 10 HDEE CC(C)[C@H](O)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282509707 NWBLONVCCYBIAA-YPMHNXCESA-N 404.363 1.267 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N(CCS(C)(=O)=O)C2CC2)OC1(C)C 2282516270 CRNVWUKVNBZPKC-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE COC1(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCC1 2282832078 JFMIWRAXOAEXEV-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CC[C@H](N)C2)OC1(C)C 2282842767 CRGCNOBZPOLPKO-OCCSQVGLSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CC[C@@H](N)C2)OC1(C)C 2282842768 CRGCNOBZPOLPKO-TZMCWYRMSA-N 400.375 1.594 30 10 HDEE CO[C@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849634 FAYQTPLRNFNDOM-NEPJUHHUSA-N 403.331 1.130 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1C 2282855945 LHWCTFFIAPTRPW-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE C[C@H]1COCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874893 HPKDFRFYIJIOPT-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE CCN(CCCC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284396308 USKXYXKLQJTGJH-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCCCCC(=O)O)OC1(C)C 2284406422 YEYXMSLSJXKJRW-UHFFFAOYSA-N 403.331 1.971 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284410283 BGRQFDMYFCFJFK-SNVBAGLBSA-N 421.371 1.450 30 10 HDEE COc1ncc[nH]c1=NS(=O)(=O)c1ccc(NC=CC(=O)c2cccnc2)cc1 2295945833 CGTKWXXWJNBCMD-UHFFFAOYSA-N 411.443 1.911 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2ccc(O)c(O)c2)cc1 2329262909 PMUDWLSSLAKDBZ-UHFFFAOYSA-N 413.459 1.748 30 10 HDEE CCOc1c(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cccc1OC 2330944113 KPYXPEYBWAXFIV-CQSZACIVSA-N 405.480 1.997 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172113 UJPGMKKRKCZLNZ-KUHUBIRLSA-N 401.525 1.780 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2365196519 NAAMWPCGUAQWKU-LIRRHRJNSA-N 402.557 1.409 30 10 HDEE CC(C)(C#CC(=O)[C@H](O)c1cccc(I)c1)S(C)(=O)=O 2365211377 LRUBDSZRUORPQN-CYBMUJFWSA-N 406.241 1.720 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCCOC1 2367793543 WIZDHHBUFDRITO-KXBFYZLASA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796987 KQRLGXTZTZTAEC-KGLIPLIRSA-N 401.481 1.436 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798456 ZPRBGMIVCCAOFU-ZIAGYGMSSA-N 403.497 1.730 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CN(C(=O)OC(C)(C)C)C1CCOCC1 2367798604 RXZPROYLNSMCRK-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(CNC(=O)OC(C)(C)C)COC1 2367801423 RTAWCNSUKYXSGF-HNNXBMFYSA-N 400.541 1.477 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CF)CNC(=O)OC(C)(C)C 2367811569 JWRNGPKELDOGBN-KDOFPFPSSA-N 406.520 1.161 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C(C)(C)N(C)C(=O)OC(C)(C)C 2367827560 ITMOGURGYFNRJL-GJZGRUSLSA-N 402.557 1.552 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2380185454 XVPUKVRHSKTICZ-ZDUSSCGKSA-N 403.501 1.556 30 10 HDEE Cc1ccc(OC[C@@H](O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 14078086 SSWAQVXEYAEZPU-IBGZPJMESA-N 415.515 1.613 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3)n[nH]2)cn1 59886585 TTXKNKBINSEDKR-GIJQJNRQSA-N 400.468 1.824 30 10 HDEE C=CCc1ccccc1OCC#CCNS(=O)(=O)CCN1C(=O)CCCC1=O 90731835 KKEFBQFYOFZYCA-UHFFFAOYSA-N 404.488 1.256 30 10 HDEE COc1ccccc1C#CCNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96345717 SXQUWDXTGQEGIM-UHFFFAOYSA-N 414.483 1.498 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(OCc2ccccc2C#N)c1 111062295 MNZKKDWQLPMPOK-FQEVSTJZSA-N 420.469 1.604 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C=O)Cc1ccccc1)C(C)C 215878347 AWIJCYLMKAQLHO-AQNXPRMDSA-N 403.523 1.604 30 10 HDEE Cc1nsc(N2CCN(C(=O)CCC(=O)Nc3nnc(C4CC4)o3)CC2)c1C#N 427585309 ZDNSEHFKNHBHEW-UHFFFAOYSA-N 415.479 1.651 30 10 HDEE COc1ccc(NC(=O)c2cc(C#N)cn2C)cc1S(=O)(=O)N1CCOCC1 433498190 ULMSFQDDJMZLJI-UHFFFAOYSA-N 404.448 1.179 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C(=O)OC)C[C@H](OCC)C3(C)C)cc2C1=O 444559578 AYPJYVVXMIZUSN-AOMKIAJQSA-N 414.458 1.945 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@]3(CCOC3)C2)CC1 469526267 ZDRLCUYLRNTIAR-FPOVZHCZSA-N 402.470 1.026 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)CC3(C#N)CCC3)CC2)cc1 474597822 VYBACZXZJLAOGH-UHFFFAOYSA-N 411.549 1.761 30 10 HDEE CCOCCOC[C@H](O)CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 484353322 SSJSMHKTVPZTEL-OAHLLOKOSA-N 407.858 1.933 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCO4)C2=O)cc1 488663166 DWJBTYZSJLNRHI-GOSISDBHSA-N 404.426 1.349 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(C[C@@H]2CCCCN2C)CC1 501137093 UWQODOWFOFLBAO-FQEVSTJZSA-N 423.565 1.779 30 10 HDEE CCNC(=O)COc1ccc(CN2CCN(c3ncccc3C#N)CC2)cc1OC 506248300 WJTNMINAZDRDQP-UHFFFAOYSA-N 409.490 1.799 30 10 HDEE C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CC12CCOCC2)n1cnc(C#N)n1 507268737 DWMSKHRGTCLHDY-PKOBYXMFSA-N 408.506 1.756 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(C(=O)c3cccc(F)c3)CC2)c1 513785803 TZDAIGIWSDUAAD-UHFFFAOYSA-N 401.463 1.929 30 10 HDEE C=CCSCCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 514037406 DUMBYNNJPPNEPF-UHFFFAOYSA-N 405.567 1.487 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C2CCN(C)CC2)c1=O 524749222 TXGLWSYDFADNMR-UHFFFAOYSA-N 411.527 1.950 30 10 HDEE COc1cnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)nc1 534469289 ISTMLVTXDLWNBW-UHFFFAOYSA-N 412.431 1.748 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 538136082 SKIGMAFXVAQODD-UHFFFAOYSA-N 404.492 1.436 30 10 HDEE COc1cccc(N2CC[C@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)c1 540971644 XREHIFAERQRSKZ-OAHLLOKOSA-N 411.510 1.973 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 542702639 LQHJQRXPSHUBTC-HRCADAONSA-N 416.565 1.569 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCCCOCC)CC1 549290035 GOVHXOUYAVWPRX-SFHVURJKSA-N 421.542 1.701 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 549725030 XCDZKHFEOJBUTA-AWEZNQCLSA-N 423.564 1.717 30 10 HDEE C#CCN(c1ccc2c(c1)OCC(=O)N2C)S(=O)(=O)c1ccc(OC)c(OC)c1 586230834 IPVGHBDXLIHCLG-UHFFFAOYSA-N 416.455 1.888 30 10 HDEE Cc1nc([C@H]2COCCN2C(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)no1 588290299 AGBBFVAUBZXPOW-XHDPSFHLSA-N 405.436 1.669 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)NCCCN3CCCS3(=O)=O)CC2)nc1 611262813 GANUHSKVDMYQMA-UHFFFAOYSA-N 421.523 1.368 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(c4cccnn4)CC3)ccc2c1=O 725901552 OYGZQRHCSFUWHF-UHFFFAOYSA-N 408.487 1.624 30 10 HDEE COC(=O)[C@@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(C#N)cc1 740176696 ABNMZUZUNBHJFA-ROUUACIJSA-N 424.388 1.575 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1C#N 746878568 XRQIKUIOIYCVIZ-JOCHJYFZSA-N 406.442 1.959 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 751734013 MOAUNUQIOXLXLL-LBPRGKRZSA-N 404.448 1.331 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C#N 752395183 WYUJGRLJQIXVTE-MRXNPFEDSA-N 410.434 1.264 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)[C@H](C#N)C1 754384305 KPSGOAQWCWXWTI-CYBMUJFWSA-N 417.857 1.901 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)ccc1[N+](=O)[O-] 770651592 VOPQVLXYGQCCGD-UHFFFAOYSA-N 422.397 1.982 30 10 HDEE COC[C@H](CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N)OC 781104413 UILHQXGFBOJZIA-RDJZCZTQSA-N 416.503 1.820 30 10 HDEE COC(=O)[C@@H](NC[C@H]1CCn2ncc(C(=O)NC(C)C)c2C1)c1ccc(C#N)cc1 785535561 MNYLOJVTIRZXSQ-JXFKEZNVSA-N 409.490 1.959 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1Br 788657026 FLCIEXQJCIQCDK-NSHDSACASA-N 400.254 1.536 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](C(F)(F)F)C(C)(C)C2)c1=O 790462756 ZZOGEIVKGNEVAI-ZDUSSCGKSA-N 402.417 1.412 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790778121 UBBSQIGHOMCQLJ-JOCHJYFZSA-N 422.570 1.955 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 796133443 UNKUHQVMFZTNDE-KGLIPLIRSA-N 406.533 1.828 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 801125071 UHNFOOJJAJRALD-LRDNONRASA-N 411.499 1.592 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(F)F)C2)cc1 801617048 NDDQLCDAZNQNLQ-PKJRHQKLSA-N 416.450 1.997 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 804946301 CWQQCSNCOAWQJI-NRFANRHFSA-N 418.497 1.692 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812044287 GONPUVNJPRJDTR-QGZVFWFLSA-N 415.519 1.794 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 816697047 POXQDCMIFNHHFA-ZDUSSCGKSA-N 401.872 1.235 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)C1 1116562551 LTHSUKTVICFHMC-ZDUSSCGKSA-N 402.563 1.903 30 10 HDEE COc1cc(CNC(=O)NCc2cccc([C@]3(C)NC(=O)NC3=O)c2)ccc1C#N 1117688615 FCAMPMPKASTEEZ-NRFANRHFSA-N 407.430 1.621 30 10 HDEE C#CC[C@@]1(C(=O)NCc2ncc3c(n2)CCOC3)CCCN1C(=O)OC(C)(C)C 1130582852 UINBZIZUUJGCLW-NRFANRHFSA-N 400.479 1.959 30 10 HDEE C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1130753648 QHEHBADGILFCPE-QKKBWIMNSA-N 421.461 1.637 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1 1133710126 SOLGSQVSHIXCLC-IRXDYDNUSA-N 420.531 1.787 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc1OC 1133908193 XDTZOJHNXVFEMT-VQHVLOKHSA-N 416.521 1.447 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1136941242 LOJIZYKJAPPVCI-SREVYHEPSA-N 421.501 1.709 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCS(=O)(=O)C1CCOCC1 1141127412 QDNRRCYSKJJLEO-HNNXBMFYSA-N 417.528 1.284 30 10 HDEE O=C(NCC#CCO)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1155733826 ZXPRYEOCFPCBJH-ZBFHGGJFSA-N 414.321 1.154 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CO[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1157760044 HOFNKKSBYHMAOW-HNNXBMFYSA-N 409.483 1.708 30 10 HDEE C[C@H](CC#N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1161792653 NZYPSLBQCSGATJ-PVAVHDDUSA-N 419.526 1.930 30 10 HDEE C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166615434 VQMIRLJIROKYCR-IJEWVQPXSA-N 418.494 1.164 30 10 HDEE C#CCC1(C(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)CCCCC1 1179851451 ZCSQKOYSTVRLAN-UHFFFAOYSA-N 400.483 1.253 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1190512619 UUIKIXRBORDCOO-YDZRNGNQSA-N 424.519 1.675 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@@H](C(F)(F)F)CC3)CC2)o1 1197480910 GEUISBRUUOIOCK-CQSZACIVSA-N 401.389 1.157 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2C(C)(F)F)CC1 1208485229 SSVDCLVRBDPETQ-UHFFFAOYSA-N 404.414 1.555 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ncc(C#N)cc1C 1264095793 DQAPHRLCIKTMSD-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1286348676 NHWRZCUECQSEDI-KGLIPLIRSA-N 401.471 1.760 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286789120 AXTCLLRCNWBHLJ-SFHVURJKSA-N 413.526 1.624 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCCO[C@@H](C)C1 1286789133 BAEPYFXLCOIGCR-INIZCTEOSA-N 409.494 1.434 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](COC)C1 1286792149 NVXOMIUJBNSREC-HNNXBMFYSA-N 403.458 1.771 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1287137248 YFXGSXNEPDIUTR-DLBZAZTESA-N 424.461 1.703 30 10 HDEE COCCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1298925311 YPXSEUJJFOSNKK-UHFFFAOYSA-N 404.286 1.116 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1300488385 RHXYHUBNLMXHMF-HOTGVXAUSA-N 420.510 1.993 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1 1300508923 BITYWGKJZJDOPP-OAHLLOKOSA-N 403.483 1.343 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1300532054 LOROJJKNCORIOX-JOCHJYFZSA-N 418.457 1.472 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1300643048 GHUQEYZEPAXRMZ-IERDGZPVSA-N 400.479 1.865 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@H](C)C1 1300664307 QKFXXJHVFBLTAC-ZWKOTPCHSA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C(C)(C)C 1300672381 ZUURAYVLAPYAQZ-JKSUJKDBSA-N 412.556 1.327 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1 1300690244 FEPBQFGGVHFPCS-NRFANRHFSA-N 420.517 1.768 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@H]2CO)CC1 1300692619 KAEDWKLCZKLVEN-FQEVSTJZSA-N 423.565 1.332 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2c(C)cccc2C)CC1 1300698719 YXWVSJYUCUPKJW-IBGZPJMESA-N 422.533 1.680 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCCN2CCCC2)CC1 1300719432 AOBMRDRICJETEG-UHFFFAOYSA-N 423.565 1.735 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1301080995 YXPQLHNQZPWGHS-ROUUACIJSA-N 402.543 1.623 30 10 HDEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)CC1 1301189591 BICDNKLVXYPEMZ-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1301259881 SJPPHXYMGSCAPH-QGZVFWFLSA-N 405.543 1.996 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1)C1CC1 1301323761 URUSKNHLMUEJLN-IBGZPJMESA-N 415.586 1.658 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1301738463 VLVLPIJDQUHZFR-PGRDOPGGSA-N 421.538 1.339 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(CC(=O)N3CCN(CC)CC3)cc2)C1 1310386992 XKOAXKSWCYMJGI-OAQYLSRUSA-N 411.550 1.612 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)C1 1313280917 BOQKVENKGXHUGG-SFHVURJKSA-N 402.926 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1358869884 ZHHPDZCOJSYTQB-AZUAARDMSA-N 424.549 1.948 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960326 BTXVSFQERKQCEQ-GVDBMIGSSA-N 414.535 1.798 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCCO[C@@H](C)C1 1359024102 FHISSMPTTIPCQG-VQTJNVASSA-N 419.570 1.759 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359031413 ANKQCCDBWUUPAA-VGSWGCGISA-N 411.506 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(OC)C2CC2)CC1 1359044323 CAXTVZGRUXESLU-JTSKRJEESA-N 415.538 1.563 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359133300 OQBQVIVNWBIGKB-SJLPKXTDSA-N 402.499 1.686 30 10 HDEE C=CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1359216004 NJQJOWHRFYJRRU-ZWKOTPCHSA-N 413.478 1.708 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1359230373 PDDJEPYVPOWINY-UHFFFAOYSA-N 404.496 1.515 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1359272082 KJBMXXZKOODLAL-INIZCTEOSA-N 404.540 1.757 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359735301 JXDZGCOTVBIQOJ-VXAPJYQHSA-N 414.510 1.933 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)C(=O)NC(C)C 1451454062 AVGPPPXPHWQLSR-ZFWWWQNUSA-N 408.524 1.169 30 10 HDEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1452948074 PYXUGRPHYCABHV-CVEARBPZSA-N 400.439 1.891 30 10 HDEE COC(=O)c1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)no1 1452954819 GVKDKZBEOZCNBI-UHFFFAOYSA-N 406.402 1.685 30 10 HDEE COc1cccc([C@H](CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)OC)c1 1453961790 KUJHJBICLRQQNV-SFHVURJKSA-N 417.487 1.923 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1455081255 ZIPINEIZJYMFQS-IBGZPJMESA-N 408.458 1.907 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)Cc2cscc2Br)C1=O 1462528876 IAGPZKAHJSTLPX-UHFFFAOYSA-N 400.254 1.446 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3I)C[C@H]1CS(=O)(=O)C2 1463162883 IJGISZULEAGZFE-IINYFYTJSA-N 416.240 1.302 30 10 HDEE N#CCSCC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1463182327 MDQAPFFTXWJROQ-CYBMUJFWSA-N 415.256 1.547 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc2c3c(c1)CC(=O)N3CCC2 1464034054 ZVPBHBTXTOUMGO-UHFFFAOYSA-N 404.488 1.488 30 10 HDEE C#CCN(CC(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)OC(C)(C)C 1464813134 FXWVPUGLBXUOLR-AWEZNQCLSA-N 409.508 1.724 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OC 1468874212 WTCMPMLHOOGCJY-HNNXBMFYSA-N 414.430 1.047 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)C1 1469628900 LZTLWURMRNOVJP-GOSISDBHSA-N 406.552 1.518 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cc21 1469762682 PPJJDCPXXCGMFA-KRWDZBQOSA-N 419.441 1.998 30 10 HDEE C#CCN(CC(=O)N[C@](C)(CO)Cn1cnc2ccccc21)C(=O)OC(C)(C)C 1472347748 FHSPVMQUYAYEJF-NRFANRHFSA-N 400.479 1.774 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)CCO2)n(Cc2ccco2)c1C 1473893984 DOJKGJTVURRWPU-UHFFFAOYSA-N 406.464 1.218 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 1475469682 DWYOODMRQJNCFP-SFHVURJKSA-N 420.531 1.898 30 10 HDEE COCCN(CCNC(=O)N1CCC(C#N)(C(=O)OC)CC1)C(=O)OC(C)(C)C 1478368172 FDUSTLNYTFQYLW-UHFFFAOYSA-N 412.487 1.358 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1503760659 NQLZGIWALZBGNZ-LJQANCHMSA-N 424.505 1.585 30 10 HDEE COCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505056397 WFWICQSJWSYWNH-MSOLQXFVSA-N 404.515 1.359 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1505291045 KPPRIWCXBSGXGE-HNNXBMFYSA-N 407.482 1.897 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507559231 PMXQDKLWCGVMNX-UHFFFAOYSA-N 402.524 1.662 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC[C@H]1COCCO1 1507623351 VUQYLWDMYRZIJL-BBWFWOEESA-N 419.526 1.924 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(CN(C)CC)c1)[C@H]1CCS(=O)(=O)C1 1507626605 OFSLEPLODCEUQF-FQEVSTJZSA-N 415.563 1.713 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CC[C@]3(CCOC3)O2)CC1 1507728941 BTRHYVFHFAGRIN-PGRDOPGGSA-N 401.555 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CCC)CC1 1507738304 MLEGOKCHDJKSIF-OAQYLSRUSA-N 413.526 1.196 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1507955370 XQPBGRDWLDSAQZ-MRXNPFEDSA-N 424.527 1.510 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1507967854 LQQXPVGPYRTVFS-LBPRGKRZSA-N 415.466 1.868 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC(F)(F)C1 1508038264 HGLDGLWIHXSDNM-CQSZACIVSA-N 404.483 1.864 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@]1(C)CCCS1 1510148010 FKWWUXJZDIWSBR-XEZPLFJOSA-N 400.574 1.912 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1511976836 KZXAMMLSTJSFNJ-APWZRJJASA-N 422.489 1.741 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1517020701 IGRYGJFNXMOMDB-JOCHJYFZSA-N 423.521 1.111 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1517759776 BIVNTJYVAJTSOI-AWEZNQCLSA-N 423.477 1.372 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)CC1 1524478414 UCYAFYRIXZXBBT-QGZVFWFLSA-N 420.307 1.614 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1527655863 IGZBZQDIEVRKBQ-LJQANCHMSA-N 403.439 1.900 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cnn(-c2ccccc2)c1I 1528571028 DIHCXSDPLJVHSA-LBPRGKRZSA-N 407.211 1.951 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1535552601 JPQARFZUPOLKBS-MAUKXSAKSA-N 418.291 1.838 30 10 HDEE COc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC(F)F 1537005589 JIPLPZJQTZCRRT-YVEFUNNKSA-N 400.403 1.236 30 10 HDEE COC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1538858904 OBNAKYMPSOANDF-ZWKOTPCHSA-N 414.462 1.321 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1539232671 LZYFHKJCVCXIPY-KRWDZBQOSA-N 414.473 1.457 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC(C)(C)O)n1 1539424200 NYUZCUSEOJBSEH-KRWDZBQOSA-N 416.526 1.426 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2cnn(-c3ccccc3)c2)CC1 1539468970 KZLLPPQQTDCKCJ-UHFFFAOYSA-N 417.517 1.981 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCc2ccn(C)n2)CC1 1539470794 ZUMLRNVSRMWRCL-UHFFFAOYSA-N 421.505 1.789 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4ncnc(O)c34)CC2)cc1 1540728439 HNJFYHHYCPZTEH-UHFFFAOYSA-N 423.454 1.354 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1540874038 SNIALHHJCYWIFT-QGZVFWFLSA-N 410.526 1.428 30 10 HDEE CC(C)Cc1nnc(N2CCC(N(C)S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1541449800 HPVTVAARBVTJDB-UHFFFAOYSA-N 420.539 1.850 30 10 HDEE COc1cccc(Oc2ccc(CNC(=O)Cn3cc(C#N)c(O)nc3=O)cn2)c1 1544476499 IEDHEWGNRMIBHX-UHFFFAOYSA-N 407.386 1.333 30 10 HDEE C[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1)NC(N)=O 1544855393 QPBGOYAUEFKJLJ-GHOZOMOVSA-N 409.512 1.665 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCn1ccnc1C 1546532318 HQYWULSTJJUJJM-HNNXBMFYSA-N 406.498 1.422 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1 1554455156 ONYLSTPXYVWIMR-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1555421852 ZRRMVAFTKBMBNS-YADHBBJMSA-N 424.505 1.463 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNS(=O)(=O)c3c[nH]c4ncccc34)C2)c1 1557722253 WXMAGNPBQYDPJL-UHFFFAOYSA-N 410.459 1.036 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1558606090 LQDLATIRRFLMEH-CQSZACIVSA-N 403.460 1.089 30 10 HDEE CCc1noc([C@H]2CC[C@@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 1559039393 VNRXDMJXMSEHSV-UONOGXRCSA-N 403.464 1.234 30 10 HDEE N#Cc1ccc(F)c(NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1562916897 ADKJIEBQWWSYBZ-UHFFFAOYSA-N 423.392 1.680 30 10 HDEE C#CC1(O)CCN(C(=O)NCCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 1563965860 WEXZXJHQXAIKKK-UHFFFAOYSA-N 413.565 1.491 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnnc(O)c2)CC1 1565661527 FXCYYYILRPKBJK-HNNXBMFYSA-N 402.252 1.967 30 10 HDEE CN1CC[C@@](O)(CNC(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1567317760 WNUQPMGJFWPBLO-PGRDOPGGSA-N 414.506 1.575 30 10 HDEE C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C(F)(F)F 1574692799 AOPDWNQWPAUHFN-VQJWOFKYSA-N 404.429 1.756 30 10 HDEE C=C[C@@H](C)ONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1583407802 FTACMQPBNNZVEI-CQSZACIVSA-N 410.492 1.886 30 10 HDEE C#CCC1(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1584611960 FWMHGNCRHQFPAT-UHFFFAOYSA-N 420.531 1.329 30 10 HDEE C=C(C)C[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1587305565 RNPLAZVTQFEUSW-VJIACCKLSA-N 415.490 1.524 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCOC 1587581109 VVVUYWIMLHOCJW-OAHLLOKOSA-N 406.508 1.470 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1587894124 NVYVWPAYBRFRLB-IOMROCGXSA-N 404.511 1.728 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1Cc1cn(C2COC2)nn1 1588210120 BMTHREYXSSNPLK-UHFFFAOYSA-N 405.437 1.758 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1588223773 GENPGYNLHDUEGF-MRXNPFEDSA-N 414.510 1.607 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1588628143 DXCYALQZKGEWKO-OAHLLOKOSA-N 417.514 1.678 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1589580224 NGQQWOTUSABXRM-PKOBYXMFSA-N 418.586 1.767 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C2CC2)CCC1 1611710778 FDFJZSLQYGCCAH-ZFWWWQNUSA-N 408.528 1.197 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)C1 1611767149 IDHSESPLQNRMRO-TXPKVOOTSA-N 407.540 1.737 30 10 HDEE COc1ccccc1CCNC(=O)Cn1cc(C#N)c(I)n1 1614552742 DKDPWWYNJBLUIZ-UHFFFAOYSA-N 410.215 1.727 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC1 1615208515 BUPUJZOPKOMKDY-FQEVSTJZSA-N 416.953 1.588 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1617594481 BMXOUROTFZIOJQ-SJORKVTESA-N 407.478 1.010 30 10 HDEE COCc1nocc1Cn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1619676684 CYQBMNVJAAJIAX-UHFFFAOYSA-N 407.478 1.963 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(CC#N)CC2)CC1 1620148878 IGDIHUSHHUTQEA-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)C[C@@H]3COc4ccccc4O3)CC2)c1C#N 1622197248 FJZXHEZANITTTN-AWEZNQCLSA-N 420.516 1.615 30 10 HDEE COCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1624900683 QEWWXONNPQMOIC-SFHVURJKSA-N 414.462 1.417 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)CS(C)(=O)=O)ccc1F 1625759855 FSUJNZNHQDLJAH-UHFFFAOYSA-N 406.501 1.091 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1ccc(C)c(C)c1)c1cc[nH]n1 1625812865 VEOSWGWHRKQDFJ-KRWDZBQOSA-N 416.434 1.341 30 10 HDEE C[C@H](CN1CCCC1=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1626283059 NZEBLWVYCMTMFR-XAHBDIOTSA-N 404.511 1.900 30 10 HDEE C#CC[C@]1(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)CCCN1C(=O)OC(C)(C)C 1632439795 ZXZRSGZHKZAORI-HTAPYJJXSA-N 419.522 1.676 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)Cc2ccc(Br)cc2C#N)C1 1633704631 NXSSJESHOSEBGL-UHFFFAOYSA-N 424.295 1.961 30 10 HDEE C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1642785547 SBQANVCJDIPOLS-XFQAVAEZSA-N 422.526 1.318 30 10 HDEE CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CCC[C@@H]1C#N 1643438828 PYDMPPOLCNUHFP-MJGOQNOKSA-N 405.520 1.791 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CC[C@](O)(CC#N)C3)CCC2)C1 1643609553 NPTHBMFIHDTRSD-CTNGQTDRSA-N 407.511 1.796 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(c3nnnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1644875669 VJJKPPJZSGHBRW-HXUWFJFHSA-N 402.499 1.709 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N=S1(=O)CCN(C(=O)OCc2ccccc2)CC1 1645104881 RTLUYWPAKHPBDC-SFHVURJKSA-N 403.504 1.731 30 10 HDEE C#CC[C@@]1(C(=O)NCC(=O)N(C)OCC(F)(F)F)CCCN1C(=O)OC(C)(C)C 1645906878 SQOJKTDLUBPIPF-KRWDZBQOSA-N 421.416 1.848 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1650951400 CBARZYIMZZSLLH-JNLAIUADSA-N 409.486 1.167 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c(C#N)c1=O 1652214688 KRCPYCSQTVRXFF-ZDUSSCGKSA-N 419.482 1.163 30 10 HDEE CCOC(=O)[C@@](C)(NCCC(=O)N(C)CCC#N)c1ccc(S(C)(=O)=O)cc1 1653439088 KCQJNJCTLDOEJW-IBGZPJMESA-N 409.508 1.220 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(CC(=O)NC(=O)NC4CCCC4)CC3)n[nH]2)cc1 1654154513 DVPOJTSVAYCWFS-UHFFFAOYSA-N 421.505 1.839 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 1654190806 SSADZFFVLRFKOL-QGZVFWFLSA-N 416.478 1.542 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(I)cc1 1655366139 JQJMMAQXYHVZKP-UHFFFAOYSA-N 401.204 1.618 30 10 HDEE CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 1657077431 CDGRBPKIOPXWCK-UHFFFAOYSA-N 403.501 1.488 30 10 HDEE CCOC(=O)[C@H]1c2ccoc2CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1659425651 WXFVISNTBJQABB-FXAWDEMLSA-N 402.495 1.434 30 10 HDEE C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660310112 SABXLSQSOLOJTG-SIFCLUCFSA-N 416.503 1.011 30 10 HDEE C#CCCS(=O)(=O)N1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1664778183 DBLOGBABKBMNLC-QGZVFWFLSA-N 415.353 1.627 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)CC1 1665603663 PTWWGFOMCTYLKE-UHFFFAOYSA-N 417.528 1.353 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OCC 1669268373 YSBVDLJJGRQFLB-NVXWUHKLSA-N 411.476 1.729 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC([C@@H]3COC(=O)N3)CC2)C1 1671495590 UOCGRPPIZXVCIN-KKUMJFAQSA-N 407.471 1.275 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1672737300 JYEDNGVQYJOJJL-FQEVSTJZSA-N 414.550 1.431 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3ccccc3Cl)C2)CC1 1672996829 UYOREYIMNHYQKN-SHTZXODSSA-N 410.927 1.381 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)C1 1676031229 VSNIVWPISTZEGK-FQEVSTJZSA-N 403.571 1.108 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C1 1679198309 PROWQLCOIZCZFH-HXUWFJFHSA-N 403.571 1.108 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(-c3ccccc3)o2)CC1 1682729345 CMKWQJKSIMBSSA-UHFFFAOYSA-N 402.476 1.241 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)C1 1685177080 KOWSHARJUOZAQM-YLJYHZDGSA-N 415.513 1.578 30 10 HDEE CC(C)(NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1cccc(C#N)c1 1685211821 UKKFFJVLNBMENC-UHFFFAOYSA-N 407.474 1.525 30 10 HDEE C[C@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCO1 1685484623 SHOOIAPYUGSNMP-LJQANCHMSA-N 406.508 1.533 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1689901250 GNUNNBJIFRGQAB-ZWKOTPCHSA-N 401.511 1.588 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1689928468 OTFHTRNWZYEANM-KRWDZBQOSA-N 400.527 1.726 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1689993705 JSFLDHRWZQKZFV-FUHWJXTLSA-N 407.584 1.588 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)CC1 1690232221 DDEXZNDRQRAFPT-UHFFFAOYSA-N 408.304 1.375 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1Cc2ccccc2C1 1690659064 IQQDHIKISNAHOD-UHFFFAOYSA-N 403.446 1.748 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690724324 MBFYPJNCHSVKMG-JKSUJKDBSA-N 420.539 1.110 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1692661591 FCXVQVFYJCALHM-GOEBONIOSA-N 418.523 1.410 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1698303744 WWKBRRQDVDONMO-LJQANCHMSA-N 420.514 1.921 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559547 CJZZRDNUEQPYIG-CVEARBPZSA-N 423.583 1.581 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705564221 MRCACRWVRPVMHM-CVEARBPZSA-N 405.524 1.193 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1705569370 GBFKWLOTMVULEZ-MRXNPFEDSA-N 419.576 1.865 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCCC1 1705573588 JWLKYCJWQSMRRW-QGZVFWFLSA-N 420.583 1.226 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1C1CC1 1705628064 WYSSBGMJBWFABE-MSOLQXFVSA-N 400.527 1.332 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705736760 BVCGRRPNUKRPQN-VQTJNVASSA-N 418.586 1.591 30 10 HDEE C=CC1CCN(c2nnc(CC(C)C)n2CCNS(=O)(=O)Cc2ccon2)CC1 1705783140 UQYIKWOQWVKQDU-UHFFFAOYSA-N 422.555 1.987 30 10 HDEE C=CCCCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)C1 1705819249 HSKIZHWSVUSIIE-OAHLLOKOSA-N 420.514 1.489 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705829026 FKVKIOQIGBNEOO-CVEARBPZSA-N 404.515 1.317 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1705832312 UMCCIJONPVSAOQ-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1705899124 ISBRYPAEGXGOBO-UHFFFAOYSA-N 409.450 1.007 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C1 1711317266 ACXNOSVLKLAPLB-OXQOHEQNSA-N 400.458 1.764 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1712285845 RMGXJHCWXIRHBO-IBGZPJMESA-N 414.510 1.247 30 10 HDEE COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1712391417 OHCPEHWFWZWYQT-UHFFFAOYSA-N 420.521 1.909 30 10 HDEE CO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712667756 ADYFNVJMNZANAX-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE C#CCCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1722322528 KWMURZMDSSCNMV-OAQYLSRUSA-N 417.510 1.813 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCC[C@@H]1NC(=O)NC1=O 1722349618 UJSCVEYKMVDHCF-INIZCTEOSA-N 403.446 1.551 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1722369229 WIXFSYXHMGTCTC-RCCFBDPRSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1722382514 HYHKECPVMOFLGF-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1722389920 NUXLVKGTIGMPKC-GOSISDBHSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722390539 DIFZLCRMTMMILP-IPJJNNNSSA-N 416.522 1.803 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@@H](C)CN2CCOCC2)CC1 1722435709 SFVJSTYCTXRYSN-FQEVSTJZSA-N 422.577 1.977 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(C)(C)COC)CC1 1722439622 JCHPKAUTWMBMSN-UHFFFAOYSA-N 421.549 1.944 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722519234 RFIPSNPPANRVLK-OAHLLOKOSA-N 409.494 1.997 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1C[C@H](F)C1 1722680871 BWMSFVHCGNKALR-JYJNAYRXSA-N 400.520 1.957 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCc2c(ccnc2N(C)C)C1 1722696199 DVRYYALIWSZORJ-UHFFFAOYSA-N 420.521 1.610 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)CC[C@H]2C1 1722700770 TYFDQMPTZMCJGK-INIZCTEOSA-N 412.469 1.121 30 10 HDEE CN(Cc1ccco1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1729421620 FMKDVUANFTZEFU-UHFFFAOYSA-N 414.491 1.985 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCC1 1730762678 JGKZLLQFDDXLGO-UHFFFAOYSA-N 416.482 1.677 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1cnnn1C 1730820382 UOAMWDQZCOIQJI-OAHLLOKOSA-N 410.482 1.687 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)CCO1 1731186854 TVEHDRAVWSDFJR-MRXNPFEDSA-N 414.422 1.124 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCOCC)c1 1740562706 MXALCOLGPSCCCP-UHFFFAOYSA-N 407.478 1.771 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1740621561 NQWMHENXQCOLAN-AWEZNQCLSA-N 409.462 1.945 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1740625600 RJLIWLXUHRERLN-NVXWUHKLSA-N 422.576 1.840 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)N2CCOCC2)CC1 1740694300 FRXRNIKEJIUYRR-IBGZPJMESA-N 416.570 1.038 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1740694851 VSTBRGPEEXLRGX-LJQANCHMSA-N 423.521 1.814 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740728738 LJVXHWJQTGCMEM-YKNSSVCLSA-N 417.473 1.859 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1740795186 PECFSKCXLLOWLN-SFHVURJKSA-N 413.526 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740956337 PDXFCGHGXQLWJR-INIZCTEOSA-N 417.535 1.569 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1740980057 HAYNUCJQWFXXSS-HOTGVXAUSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@]1(OC(C)C)CCOC1 1740994352 PXZLFDYCFAATMZ-QKLQHJQFSA-N 424.567 1.908 30 10 HDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1741253247 CNQGNWPYLIKBHR-INIZCTEOSA-N 403.508 1.601 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1741293062 IZJHJAKCAOHFIA-QZTJIDSGSA-N 421.505 1.304 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1 1741891127 KQQVBBXZBCOHSU-XJKSGUPXSA-N 407.496 1.902 30 10 HDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1)OC 1744123799 CTYPEDOIBGSYSV-DLBZAZTESA-N 403.508 1.865 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1748717688 GCPZLBVSFYFBLG-ZWKOTPCHSA-N 423.583 1.141 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748783305 IWCCVCGNILNYCN-QGZVFWFLSA-N 403.494 1.910 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N[C@@H](C)CC)CC1 1748993853 OQQBNKKQQIIYPD-SFHVURJKSA-N 409.538 1.324 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)C(=O)C1 1749352568 RGNYEHIFRZNIDT-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)c2cccc(F)c2)CC1 1749671423 ACNBJQGKFFYHDE-UHFFFAOYSA-N 414.485 1.634 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1751293317 HOWTXEYLGGQDGP-QGZVFWFLSA-N 415.519 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCO[C@@H]1CCOC1 1760099255 DKULVQNVTUWTEI-UEXGIBASSA-N 406.527 1.972 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C(C)C 1760233564 YNOIMRWNFUBWLS-UHFFFAOYSA-N 400.483 1.628 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C)N2CCCCC2)CC1 1760260623 ZQAYHAQUMBAIFA-LJQANCHMSA-N 408.554 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@]2(C)COCCO2)CC1 1760271754 KKXGJBOZXFPAOZ-NRFANRHFSA-N 401.511 1.002 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC 1760329511 CJYKOGDVWGRYJI-AWEZNQCLSA-N 408.528 1.743 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)c1cc[nH]n1 1760459975 MOZPQBHMWWFBAM-UHFFFAOYSA-N 409.450 1.492 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](COc2ccccc2)C1 1760520950 FNHABMIAQSFVAR-AEFFLSMTSA-N 424.505 1.437 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1764073615 DHXRCKMGMYQGRT-AWEZNQCLSA-N 424.571 1.760 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)NC2CC2)CCOC1 1765856628 ANWIBIFKEGGGMX-OAQYLSRUSA-N 416.526 1.729 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1770746213 AVFDLCVAHHYIJO-MRXNPFEDSA-N 420.539 1.108 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)c(O)c1 1771222866 NGPKYKOEDATYHZ-GOEBONIOSA-N 417.466 1.493 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1771273164 HAINZQMSEFMKPM-QGZVFWFLSA-N 412.450 1.121 30 10 HDEE COc1ccc(-c2cc(N3CCN(C(=O)c4cnc(C#N)nc4)CC3)ncn2)cc1 1850360098 OZYZOJXMIWRUKB-UHFFFAOYSA-N 401.430 1.776 30 10 HDEE CC(C)[C@@H](C(=O)Nc1ncc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1851268632 NONFFXXMSXFBCJ-ZDUSSCGKSA-N 415.313 1.409 30 10 HDEE Cc1nn(CC(=O)NCC#CCN2CCCC2)c(=O)n1-c1ccc(C(C)(C)C)cc1 1852700901 OUHXEDCBVPQUJQ-UHFFFAOYSA-N 409.534 1.855 30 10 HDEE N#Cc1nnn2c1nc(NC(=O)C1CC3(COC3)C1)c1ncc(C(F)(F)F)cc12 1853291191 NCTYUIVUQXZABD-UHFFFAOYSA-N 403.324 1.928 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517919 XHUFIEYERKJEQL-MRXNPFEDSA-N 419.503 1.656 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@@H]1C 1854821958 WHVQHKMBPJHNIN-PKOBYXMFSA-N 419.547 1.784 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)C[C@H]3CCCCO3)C2=O)C1 1854871526 ZOIKZBMSYAGNLT-VQIMIIECSA-N 412.490 1.883 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2cccn(Cc3ccccn3)c2=O)C1 1855436631 FMMQJDWDKFSQJJ-KRWDZBQOSA-N 407.474 1.516 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3coc(-c4ccccc4)n3)CC2=O)CC1=O 1855543295 LXBICJRKHFTSMH-KRWDZBQOSA-N 408.458 1.547 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3nccc(N4CCOCC4)n3)C2=O)CC1 1855597891 MAYYKDCBHJTJKE-QGZVFWFLSA-N 412.494 1.070 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(c4nccn4C)CC3)C2=O)CC1=O 1855779153 TZLYQLPOHCGKCK-MSOLQXFVSA-N 413.522 1.152 30 10 HDEE CC(C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855829920 JYNTUPSGTBACSY-QGZVFWFLSA-N 418.519 1.038 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@@H](N3CCN(C(=O)C4CC=CC4)C(=O)C3)C2)cc1 1856108240 VQEJXDAVQDSOOZ-HXUWFJFHSA-N 406.486 1.452 30 10 HDEE C[C@@H](C(=O)N1C(=O)CN(CCC#N)c2ccccc21)n1nnc2ccccc2c1=O 1856132436 IXMBDKJAMJZAJM-AWEZNQCLSA-N 402.414 1.646 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857055589 GLXMCQUCBHYHLZ-ROUUACIJSA-N 424.567 1.190 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)CCCn3ncccc3=O)C1)CC2 1857280825 DYBRZXMYVSXQAB-ROUUACIJSA-N 411.506 1.414 30 10 HDEE N#Cc1cc(Br)c(NC(=O)CC[C@H](N)C(O)O)c(Br)c1 1865959229 RDMLDANKEDLTPT-VIFPVBQESA-N 407.062 1.440 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870143774 BEAQWBWFPCTPRG-UHFFFAOYSA-N 402.370 1.382 30 10 HDEE C#CCOc1cn(C[C@@H]2CCCO2)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871006785 WVSFNUISANHRQP-KRWDZBQOSA-N 421.453 1.877 30 10 HDEE C#CCOc1cn(C[C@@H](C)O)c(CNc2ccc(N3CCN(C)CC3)cc2)cc1=O 1871008427 VSNWRXLFSYUSOW-GOSISDBHSA-N 410.518 1.605 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/N=c1ccc2nnc(C)n2[nH]1 1873793907 MAOHKZJKPLNDEH-AWQFTUOYSA-N 409.406 1.586 30 10 HDEE COc1cccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1890200966 CTPQYRHMWSFSIN-UHFFFAOYSA-N 415.534 1.332 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N[C@@H]2CC(=O)N(c3ccc(OCC)cc3)C2)cs1 1890449352 KYSQJIPJTFKXAW-CYBMUJFWSA-N 414.487 1.993 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1891716994 UHPAAYFRTFDJTC-INIZCTEOSA-N 416.421 1.719 30 10 HDEE C=CCC1(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCNCC1 1924883383 KCDAGYYEEGESNT-UHFFFAOYSA-N 419.547 1.927 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)[C@H](O)C=C2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 2037547953 JDZQPNMMHWBKCV-MHHBXEMFSA-N 416.470 1.019 30 10 HDEE Cc1cc(C#CCO)sc1CNS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 2039316979 GLUOGHWJUHKQTI-UHFFFAOYSA-N 418.496 1.116 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H]1CCCC(=NO)C1 2046025777 LYNKJUVUJHCNBU-ACJLOTCBSA-N 411.455 1.703 30 10 HDEE CC1(C)O[C@H]2[C@H](O1)[C@H](COCc1ccc(C#N)cc1)O[C@H]2n1cnc2c(N)ncnc21 2054338566 QAPIUSQGRWFEHC-DZIWXPPMSA-N 422.445 1.914 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)N2CCC(C#N)CC2)CC1 2118161646 CUADBAKKEYKBBN-UHFFFAOYSA-N 406.530 1.185 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2118172829 YPYNZAXZKHANDH-ZJWNCGCPSA-N 406.530 1.232 30 10 HDEE N#Cc1c(Br)cccc1N1C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C1 2118194116 IPTGOJGCINYASM-RKDXNWHRSA-N 419.201 1.679 30 10 HDEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)C1COCCOC1 2131488907 UTLDPNRFTZHIAC-UHFFFAOYSA-N 413.121 1.995 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 2180138429 XKSYVVGGSRRDRN-JYJNAYRXSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N[C@@H](CCS)C(=O)O)no1 2180221661 RZGSDHKSHRKINU-UWVGGRQHSA-N 400.457 1.645 30 10 HDEE CC1(C)OB(c2cscc2CN2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2227242826 LAJHCDDTIPFNCQ-AWEZNQCLSA-N 403.400 1.967 30 10 HDEE CN(CCn1cc(C(=O)N[C@H](C(=O)O)C(C)(C)S)cn1)C(=O)OC(C)(C)C 2233478736 NCMOAYYOTLVYMV-GFCCVEGCSA-N 400.501 1.641 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)C(C)(C)S(C)(=O)=O)s1 2237727302 IUXIJVQEFKLLCP-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE Cn1ncc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247779451 UCWFSSVIJNHMKT-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247923445 YOVXQKYFCFGDBH-FQEVSTJZSA-N 423.319 1.319 30 10 HDEE C#CC12CC(CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2273227391 FHBWEHIUBVCSCZ-OHTSDLOESA-N 420.487 1.272 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCN(C)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282302116 ULHBGVMTWBPUAF-QWHCGFSZSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNCC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282310041 OJQIRRJIYJSLDV-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC[C@H]3C(N)=O)cc2Cl)OC1(C)C 2282314915 GYIAVLBCRYUPLC-JTQLQIEISA-N 420.749 1.339 30 10 HDEE C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332558 DAEILSXWRRJVLM-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE C[C@@H]1C[C@H](O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282493390 SXELEUWZEDFELX-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE C[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494061 XAVJUOSLMPNOLP-NHYWBVRUSA-N 400.737 1.525 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282501094 SEUCIDAMNHUUKA-CYBMUJFWSA-N 403.331 1.523 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282519470 KYLDOLHNDBRGQH-LLVKDONJSA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3c[nH][nH]c3=N)cc2Cl)OC1(C)C 2282835824 YRJLYDCAZGSACU-UHFFFAOYSA-N 418.737 1.315 30 10 HDEE COC[C@@H]1C[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837563 VRDWRUAEQDVXJT-RYUDHWBXSA-N 402.347 1.144 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282845653 XETHEVMBMJOJFF-CHWSQXEVSA-N 400.375 1.465 30 10 HDEE CN[C@H]1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282848386 MXCXEBVVTCNTNR-BETUJISGSA-N 400.375 1.856 30 10 HDEE CN(C[C@]1(F)CCOC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848522 OIJMURSQNIPEDA-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282849530 CLPWKZKFPBLGJT-AGIUHOORSA-N 400.375 1.807 30 10 HDEE CN(C1COCCOC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858635 ZYOHHUHGJLVLBT-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE CSC[C@H]1CCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282865397 SXEGOHVYSNLRJG-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2CC(C)(O)C2)c1B1OC(C)(C)C(C)(C)O1 2282866309 HCGQCKRRDBJYAX-UHFFFAOYSA-N 401.359 1.856 30 10 HDEE CCOC(=O)CCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282874102 VVJBZQSVXNKQPM-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE C[C@@H]1CC[C@@H](CN)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282878441 GEVFSOVQXCQSDQ-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2C[C@H](C(=O)O)C2)OC1(C)C 2284398794 BVRXKNUBMWXVLJ-XYPYZODXSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CC[C@H]2C(=O)O)OC1(C)C 2284410263 AUMJJIWYKBPKDW-WDEREUQCSA-N 401.315 1.436 30 10 HDEE COC[C@]1(C)C[C@@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284685528 SBUAHVNPEUPGNZ-PXAZEXFGSA-N 401.359 1.998 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1[C@@H]2CN(Cc3ccccc3)C[C@@H]21 2315533638 LHDVLOMVPWCNQX-PIIMJCKOSA-N 422.338 1.580 30 10 HDEE O=C(C=Cc1ccc(Br)cc1F)C(=O)NCCN1C(=O)CSC1=O 2318789643 YOHDIQUEBXUYFB-UHFFFAOYSA-N 415.240 1.982 30 10 HDEE CCc1csc(C#C[C@H](N)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363981289 QMAYDFGNURNLQQ-DZGCQCFKSA-N 413.565 1.809 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1 2365212080 QHUFWSQFMHMBMM-JKSUJKDBSA-N 401.573 1.390 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC[C@@H](CNC(=O)OC(C)(C)C)O1 2365213204 VUEJQNONYZIYMZ-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)C 2365214113 ZSRNDQWCRVFGEA-HNAYVOBHSA-N 404.573 1.703 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@@H](O)C#Cc1ccc(C(F)F)nc1 2365761200 ZITQAGYFOACOPA-KGLIPLIRSA-N 404.435 1.670 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)[C@@H](CC)NC(=O)OC(C)(C)C 2372803640 IABZVGUVIVSZTC-HBUWYVDXSA-N 404.529 1.808 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(-c3ccccc3OC)n2)CC1 58789226 ZSOQEDCGYHJXEQ-UHFFFAOYSA-N 400.504 1.879 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96353208 RYYGWESTYOAWPT-UHFFFAOYSA-N 414.443 1.763 30 10 HDEE CC(C)N(C[C@H]1CCCN(CCO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208090356 CVPXGLYYEHGLRY-KRWDZBQOSA-N 404.364 1.695 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(C#N)c(C)n1 301749498 ACLZDVGDSJWIBH-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C#CCN(C(=O)c1sccc1I)[C@@H]1CCS(=O)(=O)C1 311811346 BDUSTURDGWNVSS-SECBINFHSA-N 409.270 1.615 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 426243677 LEDLMMGIAVQLCI-LJQANCHMSA-N 410.478 1.645 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Br)cc2[N+](=O)[O-])CC1 431162632 TZPSYHRGOAUFQD-UHFFFAOYSA-N 411.256 1.417 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 433556049 XLCMKAGHDUHSAD-RDJZCZTQSA-N 419.437 1.849 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@]3(CO)C[C@@H](C)CC(C)(C)C3)CC2)o1 471146535 BUWQLNKAAGZJCP-YCRPNKLZSA-N 403.527 1.670 30 10 HDEE CO[C@H]1CCC[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 474206803 AOLLMJYRPSCERS-AEFFLSMTSA-N 405.520 1.986 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)n1 481282464 XQCABWIGKRWVPI-AWEZNQCLSA-N 423.882 1.411 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 481750845 ZLTUYZSOWOZQJJ-ZWKOTPCHSA-N 411.462 1.725 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C 482310946 FFAFOHMXHSJHKD-SUMWQHHRSA-N 403.508 1.862 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccc(C#N)cc2Cl)CC1 485052724 JPLBBRGDIQIIDO-UHFFFAOYSA-N 407.854 1.968 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(OC)c1 490048753 MJCVKQIKGFGCEA-CQSZACIVSA-N 419.459 1.821 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)n2)CC1 509724984 QZJSEESCQZOYBD-FQEVSTJZSA-N 418.501 1.630 30 10 HDEE C[C@@H](Sc1nncn1C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 523357552 YWKIHTUMVDFLPP-BXUZGUMPSA-N 402.505 1.708 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc3nsnc3c2)CC1 540706397 QNONIBHFEWHOSU-UHFFFAOYSA-N 413.484 1.710 30 10 HDEE CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 545468829 RHVCARAPFVFRPL-UHFFFAOYSA-N 406.490 1.834 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnn(Cc3ccccc3F)c2C)CC1 554996738 XMJHIYIBHFLXOA-UHFFFAOYSA-N 415.473 1.226 30 10 HDEE C[C@@]1(c2ccc(Cl)s2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 584685832 RFELRPGJTWYDAE-INIZCTEOSA-N 424.891 1.909 30 10 HDEE C=CCN(CC=C)C(=S)NCCNC(=O)[C@H](C)N1C(=O)c2ccccc2C1=O 586412599 JEJYSMYTHUXEAS-AWEZNQCLSA-N 400.504 1.336 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 589560649 TVWDEQCJGMYDDR-UHFFFAOYSA-N 420.416 1.459 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cc1 607002561 BDONZRWDWDRIGZ-UHFFFAOYSA-N 423.477 1.462 30 10 HDEE Cn1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c2ccccc2c1=O 608951696 OXPQHHBTJZBYTD-UHFFFAOYSA-N 402.458 1.528 30 10 HDEE COc1ccnc(N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)n1 609150491 SRRMRPVOCGNQLV-UHFFFAOYSA-N 422.493 1.252 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(C#N)cc3F)CC2)CC1 610085760 MRNNTVNBRRAYGS-UHFFFAOYSA-N 408.499 1.262 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)S[C@H](C)C1 670200082 MSMMLIUERRRUGJ-KFWWJZLASA-N 415.585 1.517 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@H]1C1CC1 671665836 BNTXGXDBXBMWJI-AWEZNQCLSA-N 406.464 1.135 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](NCCC)C1CCN(S(C)(=O)=O)CC1 689599744 RJQFAXXMBCKIDX-SJORKVTESA-N 401.573 1.943 30 10 HDEE COC[C@H](C)N/C(=N/CC1(N(Cc2ccccc2)Cc2ccccc2)COC1)NN 705866160 LKMJFQNNKPLVQE-IBGZPJMESA-N 411.550 1.902 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@@H]3CCCO3)c2=O)s1 726180242 YPVDZOYDJZEZBC-AWEZNQCLSA-N 417.556 1.972 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CS(=O)(=O)NC(C)(C)C)CC1 731732069 ORPIRBHTRSPWQN-TXKKKEFDSA-N 401.529 1.567 30 10 HDEE CCOc1ccccc1N1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 731862449 FUYMDBIGIYAIAM-WDWGUKLMSA-N 412.446 1.081 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 733202984 ZTVYLNQRWHIFSP-UVPKWBSNSA-N 408.487 1.766 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1 740731244 UTRMSBUIXGXRAJ-QGZVFWFLSA-N 400.504 1.663 30 10 HDEE COc1ccc(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)cc1C#N 747063718 FTCBHSXJELRYSN-UHFFFAOYSA-N 413.499 1.727 30 10 HDEE COc1ccc(CNC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)cc1C#N 747205858 WORIYJVAZQAVPT-HNNXBMFYSA-N 403.464 1.753 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2cnn[nH]2)c1 754895071 NCISLHMXNLYFBK-CJLVFECKSA-N 405.484 1.719 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774185080 FLYRAPJUESIQEI-SFHVURJKSA-N 403.504 1.535 30 10 HDEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)ccc21 774520213 FZIBREMFKOVKSJ-QGZVFWFLSA-N 420.494 1.024 30 10 HDEE COc1cc(NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1C 775068895 SHANCCAPPVGJAB-CYBMUJFWSA-N 405.480 1.521 30 10 HDEE COc1cc(Br)ccc1CNC(=O)CCN/C(O)=C1\N=CC=CC1=O 779121419 XZTJYEYKINCBLH-WUKNDPDISA-N 408.252 1.990 30 10 HDEE C#CCNC(=O)COC(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O 780118213 NBHZQEWHJXFIQL-MLPAPPSSSA-N 415.442 1.941 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@](F)(C#N)C1 787376674 OFWFBPIASQWSCU-QAPCUYQASA-N 411.455 1.180 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)n1 788818192 HUYHLZJICDNUTR-QGZVFWFLSA-N 412.465 1.992 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCCN(C)C)S/C1=N\CCc1ccccn1 790016653 NPVGPLOKXQDVDV-FIHHIJHUSA-N 417.579 1.791 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(C(F)F)cc2)c(=O)n1CCN1CCOCC1 794581370 KXNDVIYUUDYIPT-UHFFFAOYSA-N 416.453 1.206 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)CC(=O)N2C(C)(C)C)cn1 796412406 GGOOMQWVTKHVBZ-RRMPHLOHSA-N 415.494 1.460 30 10 HDEE C=C(Cl)COC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808655517 OXOPYWRFHZEGNM-UHFFFAOYSA-N 402.900 1.931 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C#N)CCC1 809810546 CGLLVXPSMXJGLP-UHFFFAOYSA-N 414.528 1.021 30 10 HDEE COCC#CCOC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 811364893 UDBFKUGRUBZREH-GMSFPVLESA-N 405.450 1.659 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 812185742 CEXSAVMONAPMMI-JKSUJKDBSA-N 418.498 1.891 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCC(=O)N2 918357465 FOGLSKYBWQIKOL-UHFFFAOYSA-N 414.443 1.475 30 10 HDEE COc1ccc(C(=O)CSc2nnc(NN=Cc3cccnc3)n2N)cc1OC 1084459229 BXVHLSDLGOLBES-UHFFFAOYSA-N 413.463 1.825 30 10 HDEE COc1ccc(C=NN=C(N)c2nonc2N)cc1CSc1nnc(C)s1 1084497739 GWYHACBAQOEFCB-UHFFFAOYSA-N 404.481 1.852 30 10 HDEE Cc1cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc(C)c1C#N 1126469697 MUFXOOMEBFJWEU-UHFFFAOYSA-N 406.490 1.764 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)O1 1133996712 LPUZLUAFRYTFCL-IJXRJRJASA-N 413.474 1.333 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(CN2CCNC2=O)CC1 1134271234 TXGMZMVRICHAMI-INIZCTEOSA-N 407.515 1.837 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)cc1 1141979987 FSCKZWUSJNHWAV-AWEZNQCLSA-N 417.487 1.514 30 10 HDEE C=CCn1cc(C(=O)N2CCc3nc[nH]c3[C@@]23CCN(C(=O)OC(C)(C)C)C3)nn1 1148307077 HYDGQAUCFIMPIF-FQEVSTJZSA-N 413.482 1.722 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)C2)C1 1148396964 FCYUBARBUUTJLT-CXSMLKTPSA-N 404.511 1.934 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1CCN(C)C(=O)C1 1162644958 CDJSRZZZVMIDTN-HOCLYGCPSA-N 420.535 1.269 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)N=S(C)(C)=O)C2)C1 1162645304 GRYNSVDMFTZKCH-XYEKJYRLSA-N 412.512 1.144 30 10 HDEE CCCCOC(=O)C(C)(C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1163683448 JDUDCYNCUODOCM-CYBMUJFWSA-N 409.508 1.742 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)cc1 1164019314 RAGAEBZHVVCRQT-OAHLLOKOSA-N 400.456 1.460 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1175428727 SCWNTUQSKTUYEI-BPLDGKMQSA-N 417.466 1.115 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OC 1177959635 RWHXBAJCDBCJFS-CQSZACIVSA-N 415.537 1.380 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cc4oc(=O)[nH]c4cc3F)C2)nc1 1212017260 BPYFJICMJLZZSG-NSHDSACASA-N 404.379 1.369 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCNC3=O)ccc1F 1275868412 FYYGNSBWUFVHJX-UHFFFAOYSA-N 403.435 1.828 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(=O)(=O)CC 1286283224 VPTSKTSVOPPPQJ-HNNXBMFYSA-N 400.508 1.604 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2F)n1CCNS(=O)(=O)Cc1ccon1 1286371387 OSUKXJCKOBLVEB-UHFFFAOYSA-N 418.454 1.261 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1286443180 BHHFDPXSSRQZRX-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCCC2=O)CC1 1286485040 BCHCTEPSDHJQHD-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286507341 HJDZLDJNELBDLB-LJQANCHMSA-N 412.563 1.983 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C#N)C1 1286547001 MCPHDTOEIHWGIC-NXHRZFHOSA-N 416.526 1.906 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286558595 POZFIJZPKFTKES-NQIIRXRSSA-N 416.570 1.566 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC(=O)NCc1ccco1 1286582648 BNBQGVQIIGKLMU-UHFFFAOYSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1286727099 MNCSFZPZTJTAPY-GOSISDBHSA-N 417.535 1.947 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1286822882 IJJNFDWSPJGDST-AWEZNQCLSA-N 404.544 1.853 30 10 HDEE CC(C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1287174855 UEHHOHQGEYWKKW-VLGSPTGOSA-N 417.514 1.279 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCn2ccnc2C1 1288100073 PDIURHJVQGSCLC-AUUYWEPGSA-N 400.462 1.317 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C2CC2)CCC1 1288825505 GTYIHLDTHGHJKI-UGSOOPFHSA-N 410.519 1.911 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CN(Cc3ccccc3)CC23CCC3)CC1 1297516827 LHMYZEOVHHINRO-OAQYLSRUSA-N 408.546 1.182 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1299014628 MRIZUNYQLKCVOJ-OAQYLSRUSA-N 412.494 1.442 30 10 HDEE COc1ccc(-c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)c(OC)c1 1300076306 NJQHKLJURZHLGT-UHFFFAOYSA-N 408.418 1.411 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300365249 RWDMCODHJKJRKQ-QKLQHJQFSA-N 422.551 1.368 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1300474118 ADBPPVAZJYJNEN-KGLIPLIRSA-N 421.460 1.874 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300948769 ADLCMAGWZCOFDO-HUUCEWRRSA-N 407.482 1.182 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1300994467 USJVVRXSOWGJKV-OAQYLSRUSA-N 412.494 1.888 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301261574 JHAPMTPMIQBXMQ-HOTGVXAUSA-N 424.571 1.243 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301490949 AAPNDPQVSCUVKQ-HNNXBMFYSA-N 407.478 1.176 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2COCCO2)C1 1301566898 SZFVFNIRVUZUKC-QZTJIDSGSA-N 402.499 1.336 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301578934 KUJSIPVPUBCYBG-HLLBOEOZSA-N 405.524 1.735 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@]3(CCO[C@@H]3C)C2)nnc1C(C)(C)C 1301595886 DFWCJWGZGULZEA-DNVCBOLYSA-N 412.556 1.561 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO1 1301773379 ABXFPHWCYMDPHM-OALUTQOASA-N 424.505 1.933 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCC(C)(C)O 1301806481 IIXGMHJDJUOQSY-UHFFFAOYSA-N 404.471 1.533 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H](C)N1CCOCC1 1302241729 BOJQFHZJAUFLHI-BDXSIMOUSA-N 406.531 1.319 30 10 HDEE CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302445324 FPNXVJYAUOYPTI-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1305205475 JCXSNBRMKRKKJR-QAPCUYQASA-N 424.505 1.869 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1306351344 LFSOVHRZULQEDL-LTDXQCTPSA-N 400.483 1.687 30 10 HDEE CCOC(=O)c1cc(CC)sc1NC(=O)[C@H](C)N1CCN(C(=O)CC#N)CC1 1307776909 CHSYEJXJSCIDSS-ZDUSSCGKSA-N 406.508 1.872 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 1308143243 XVXIUZHCVWYANW-MRXNPFEDSA-N 423.535 1.187 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N[C@H]2CCN(S(C)(=O)=O)C2)ccc1OC 1311961921 CGFUXVOORWZAQP-GJZGRUSLSA-N 410.496 1.209 30 10 HDEE N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1321606713 PFIGOMUXWGXTMN-JQHSSLGASA-N 419.503 1.637 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1348036696 PYTRCOPGHGYPAY-ZRGWGRIASA-N 423.535 1.894 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)NC(C)C 1358949497 DOOBYIDZGGQSJU-OAHLLOKOSA-N 420.514 1.181 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CN(Cc2ccccc2)CCO1 1358952321 GOFWYCUNRAUVMD-HXUWFJFHSA-N 422.533 1.371 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCC)c1 1358977424 MEMPAFVLTJZTNG-GOSISDBHSA-N 404.474 1.100 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCS(C)(=O)=O 1358997379 QFNXDGOOVFCLLI-UHFFFAOYSA-N 400.504 1.673 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@]2(N3CCOCC3)CCSC2)CC1 1359028775 DKYSYQRDGAOKTK-NRFANRHFSA-N 418.611 1.365 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1359034151 FHXPPAJTOCIUGI-HXUWFJFHSA-N 422.581 1.858 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)COC)CC1 1359039187 ZFXPAMZIJTXFGQ-SFHVURJKSA-N 408.506 1.766 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCOC[C@@H]2C)CC1 1359045683 PZOQLCDSWWMMBV-SFHVURJKSA-N 416.570 1.163 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccoc2)CC1 1359046208 ILPSYYDNGYWOAD-UHFFFAOYSA-N 404.474 1.871 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1359142346 FYQQFPYTZNFDGL-IHRRRGAJSA-N 404.968 1.560 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1359215618 GDHORZALTQXGQK-SJORKVTESA-N 409.556 1.451 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1359256096 UTIQCBOAUBCYOQ-PGRDOPGGSA-N 422.489 1.445 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1359318624 IZFIJTUEDXCMJQ-AEFFLSMTSA-N 417.535 1.946 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359455727 ZYRRQWSQTWQAHA-OAQYLSRUSA-N 407.478 1.059 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CCCN1C(=O)OC(C)(C)C 1439089304 RORPLHYHIVZGRV-OPAMFIHVSA-N 420.506 1.818 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)c1 1445534952 XMVDOTSBOLRWJE-PMACEKPBSA-N 404.532 1.857 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)cn1 1449502514 BRIPNOFEFFDGNH-GOSISDBHSA-N 403.446 1.512 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)Cc2cccc(F)c2)cc1 1450303119 WRJBDLLONYTOLB-QGZVFWFLSA-N 405.451 1.351 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)N2CCN(CCC#N)CC2)C1 1454909332 OCMZYYAUYOFUTG-OAHLLOKOSA-N 402.499 1.806 30 10 HDEE N#Cc1cccnc1NCCNC(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1464509014 QUNJWOAUUDVKPW-GOSISDBHSA-N 409.446 1.519 30 10 HDEE CS(=O)(=O)C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1465588945 DWMONVFAUUHXHC-KRWDZBQOSA-N 424.475 1.639 30 10 HDEE COC(=O)Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)[nH]c2ccccc12 1466064204 IQCXIIBYGRCCIA-CQSZACIVSA-N 418.457 1.896 30 10 HDEE CCO/C=C\[C@](O)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1468480418 LBTJMPPTQLKWLX-QWPQOLDESA-N 409.368 1.900 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)N1Cc2cccc(C#N)c2C1)C1CCCC1 1470667398 QTWDZHRGGHSSGM-GOSISDBHSA-N 405.524 1.538 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCn3nc(O)c4ccccc4c3=O)C2)nc1 1471983889 KMSNAFUCHWZQQD-MRXNPFEDSA-N 418.457 1.862 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccnc3Nc3ccccc3F)C2)c(=O)nc1O 1472371007 OOSIONYISRNFHH-UHFFFAOYSA-N 406.377 1.795 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895833 GUHLZPPTYKJJJQ-DOMZBBRYSA-N 414.325 1.704 30 10 HDEE CC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1494038606 JMADZLSZEHUOMB-GWOGKKTRSA-N 400.483 1.892 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCSC2)CCOC1 1502727913 DSRDYVAKPUCADW-JTDSTZFVSA-N 407.540 1.802 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1507515798 IODBMJIEEWBBQL-MBNYWOFBSA-N 410.569 1.915 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507629173 ZXKIPVHHEFAGDG-BQFCYCMXSA-N 423.583 1.101 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCc2nccn2C1 1507677934 PANORFTXYGPZJC-INIZCTEOSA-N 404.478 1.844 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1507713541 NVJUUNASVYKONE-QHCPKHFHSA-N 423.517 1.321 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)C)CC1 1507740915 HNEAKJGRSXGWME-UHFFFAOYSA-N 404.584 1.801 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1507753812 ISWWWEKGKCRNEB-KRWDZBQOSA-N 418.611 1.949 30 10 HDEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1519007238 GHAXIJGZUBOLBU-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1519416381 YKCIDVZUWTZOGE-MRXNPFEDSA-N 401.467 1.617 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1521128549 DOLRTKQKLORNGC-SFHVURJKSA-N 410.478 1.577 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)c3coc(C#N)c3)CC2)cc1OC 1530272116 VQXQVGUXSXEUPU-UHFFFAOYSA-N 419.459 1.752 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3cn(C[C@H]4CCOC4)nn3)c2C#N)C1 1533469476 AYADTNNDMQYJTA-GFCCVEGCSA-N 400.464 1.405 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(C(COC)COC)CC2)CCCN1C(=O)OC(C)(C)C 1535968087 AJYNFMNNQLQKBW-JOCHJYFZSA-N 423.554 1.585 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1538971612 HQQJCNRYHGLMIB-CABCVRRESA-N 405.524 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(-n2cncn2)nc1 1538973490 NYTUFYLOJILBCB-JKSUJKDBSA-N 410.482 1.484 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1539021507 JWXJFOUTBNJFKV-QGZVFWFLSA-N 424.530 1.700 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1539194935 JIXCGVJDHGRTNR-UHFFFAOYSA-N 408.466 1.380 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCO2 1539266167 MUNDPRWSQVIYTL-INIZCTEOSA-N 412.471 1.030 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1539369571 MQXMJXAZWLYTCJ-GFCCVEGCSA-N 410.450 1.416 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)C 1539399128 CWWSPIGZHASONE-UHFFFAOYSA-N 419.551 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccccc2OC)CC1 1539430082 GHQIOGSBFPQTPV-GOSISDBHSA-N 413.522 1.814 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1539441391 NNMYYICTYHXBOI-UHFFFAOYSA-N 401.478 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2ccc(-n3cccn3)cc2)CC1 1539469681 UGNBIPJZYGZKJG-UHFFFAOYSA-N 417.517 1.981 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1539511516 YITDWYVHFBSFNL-OAHLLOKOSA-N 424.530 1.784 30 10 HDEE C#CCSCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1539530611 JZWMHKGQGVFPLW-JTDSTZFVSA-N 410.540 1.147 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCC[C@H]1C 1539538317 FQUBBXRFHROHLU-OHQAAIJDSA-N 409.556 1.432 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1539556918 JZUUNVJPGOFURR-VQIMIIECSA-N 419.507 1.244 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ncccc2C#N)CC1 1539674733 FPORYJYKXJCYBR-UHFFFAOYSA-N 419.532 1.154 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2csc(C)n2)CC1 1540859849 NZIKEYRDYSRXQF-UHFFFAOYSA-N 401.540 1.674 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCCC)CC1 1540869369 KPANZDMKBLNXPP-CVEARBPZSA-N 404.515 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540897251 FHBGGZJYCANSGO-INIZCTEOSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CC(N)=O)CC1 1540900866 KXJMRPKSSQFWFC-UHFFFAOYSA-N 418.523 1.033 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)COCCO1 1543311144 NTOCTAGXUAWYEC-HXUWFJFHSA-N 400.458 1.729 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(CC)CCS(C)(=O)=O 1547250234 BVFWVZJTNQKCSQ-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1554629962 BIBGKOQAKIRPAQ-OGHNNQOOSA-N 416.523 1.391 30 10 HDEE COCCCN(C)CCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1555482608 BQPWAVWTTURVHS-UHFFFAOYSA-N 413.526 1.905 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(C)c(Br)ccc3[nH]2)CC1 1556504079 JTBDQTRQMLWUDH-UHFFFAOYSA-N 417.307 1.746 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)c(C)n1-c1ccc(C#N)cc1 1558453234 HOUNHORUYIWEDM-SFHVURJKSA-N 401.488 1.587 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@H]([C@H]2CCCO2)C1 1560165797 WAVZHMUALDQZDI-NZSAHSFTSA-N 406.504 1.765 30 10 HDEE C[C@@H](COc1c(F)cccc1F)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1584207067 MZDJKSGZZOCFFM-LBPRGKRZSA-N 423.441 1.977 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CCC1 1585005944 OGMBUBDGXHDQLA-UHFFFAOYSA-N 418.515 1.936 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2(C#N)CCCCC2)cc1 1586483180 ZPFZVSKNLNSVPZ-UHFFFAOYSA-N 406.508 1.856 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@H](COC)OC)c1 1587689503 JCNCVDRGPUXIGR-GOSISDBHSA-N 422.489 1.991 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1587705698 GXCPBDATBJRMNZ-INIZCTEOSA-N 409.556 1.841 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064446 IFTCSCWXRSAWIR-LJQANCHMSA-N 419.595 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1588124929 WUURVLFUGORSLE-KRWDZBQOSA-N 415.448 1.164 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)CC 1588162421 RSSUIXVHORNDOL-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccsc2C(F)(F)F)CC1 1588198959 CNRWIDNVCRIIIN-ONEGZZNKSA-N 407.439 1.392 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1588459472 XZCOTAULSQIXOX-QGZVFWFLSA-N 403.508 1.546 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCOC[C@H]2CCCO2)CC1 1588801211 ZRZMRBQHMWNRNV-HXUWFJFHSA-N 410.522 1.681 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)CC1 1594091290 XJUMBUYSKUUYOU-INIZCTEOSA-N 402.499 1.864 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1594870364 GJZIIGKUYCIXNH-OAHLLOKOSA-N 404.492 1.448 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(F)c(Cl)c1 1595537242 OJSKYPQCHPCMKO-OAHLLOKOSA-N 420.876 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(OC)C1 1595784834 LBLLJNGCHQKXMJ-GOSISDBHSA-N 408.528 1.285 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1596831459 NXSHNFFSAJXHQW-BZUAXINKSA-N 423.539 1.319 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1611286018 BQMKQNYAKZTYLR-OAHLLOKOSA-N 424.509 1.970 30 10 HDEE C[C@H](O)C[C@@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1611299049 BRZCRWFTANNXSS-BLLLJJGKSA-N 408.296 1.755 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC(=O)N1C 1612917056 HXMWFEPRWYROLI-JCGIZDLHSA-N 410.478 1.024 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC[C@](O)(C(N)=O)c3ccccc3)nnc12 1613157256 AXQGOPZBSRODHV-OAQYLSRUSA-N 421.482 1.695 30 10 HDEE CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1615382648 BZHMZZASFURPHS-FBMGVBCBSA-N 424.465 1.298 30 10 HDEE N#CC1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCCO)CC1 1620353842 UDUYGCQYUFKKNE-UHFFFAOYSA-N 409.494 1.656 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1620357110 AYOQZOVYIARDBF-QGZVFWFLSA-N 407.540 1.737 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC2(CC2)C1 1624022605 DLDJASSPFRVQKY-UHFFFAOYSA-N 404.448 1.512 30 10 HDEE C[C@]1(Br)C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062510 VKUOKIOYDBOXHP-HOCLYGCPSA-N 412.309 1.565 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1625082752 RXLUVRHIHPZXLW-QGZVFWFLSA-N 403.460 1.906 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@@H](c2cccnc2)C1)c1cc[nH]n1 1630787950 RYAMYVMLEQSHRG-GDBMZVCRSA-N 401.423 1.125 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCN1C1CCCC1 1631555557 NOYGQMJWOCZUFW-INIZCTEOSA-N 404.536 1.638 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1632079035 VIOBATDBCZJJNP-LBPRGKRZSA-N 403.298 1.204 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C1 1632533298 SIYCGUZVKSYTDG-MHQJXXKBSA-N 409.464 1.572 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](N(CCO)C(=O)OC(C)(C)C)C1)C1CCOCC1 1637128938 SYKKAMKVFVQSKP-MSOLQXFVSA-N 409.527 1.818 30 10 HDEE CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637513297 MLFYXFOYGFADSW-MRXNPFEDSA-N 402.838 1.961 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)C1 1638075533 RHXQWHWRCHHNMS-QGZVFWFLSA-N 405.520 1.307 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N(C)[C@@H]2CCC[C@@H]2C#N)cc1 1638983729 RBBNWPMQAYNVRF-SJLPKXTDSA-N 420.535 1.598 30 10 HDEE Cn1nccc1C1(O)CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1643915043 UJZGGNZRNWSLJJ-UHFFFAOYSA-N 416.522 1.881 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCS(=O)(=O)C2(CCCCC2)C1 1644941313 CSLXEWFUORKTJA-UHFFFAOYSA-N 400.500 1.719 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc3ccccn23)s1 1645672154 BHZOOEJLCKJMPQ-UHFFFAOYSA-N 405.505 1.157 30 10 HDEE COc1cccc([C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)OC)c1 1646326958 GHRDKHQTABISHK-AUUYWEPGSA-N 417.487 1.738 30 10 HDEE CSc1nccn1-c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1649092977 OWFLMWZLMSKCCY-KBXCAEBGSA-N 402.501 1.605 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(c2ncc(Br)cc2C#N)CC1 1651860041 AYWKPAASMUZFTF-QHCPKHFHSA-N 400.298 1.996 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]([C@@H]1CCOC1)C(F)(F)F 1653186142 JTPIJPMUPBUKPV-SUHUHFCYSA-N 405.398 1.309 30 10 HDEE COC(=O)[C@H]1CN(C)CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1654754759 GYYOCQNBAPYMJW-IRXDYDNUSA-N 402.495 1.367 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2c(C(=O)OC)cccc12 1660902597 OHVUXSORXBNYGK-CQSZACIVSA-N 421.496 1.437 30 10 HDEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1668468242 DXKAORYCISHGQD-UHFFFAOYSA-N 404.410 1.920 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)[C@H](C#N)C1 1671495765 WJYZFHSTBVTQKF-RHSMWYFYSA-N 413.478 1.612 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)NCC3(C#N)CCOCC3)C2=O)c(OC)c1 1682196703 GLSNEUCOGSABRO-QGZVFWFLSA-N 416.478 1.424 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1686036006 MONQSFHGVUPGQS-WOGUSJMUSA-N 402.520 1.087 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1689859287 XTDKUUVPXMPJOQ-MRXNPFEDSA-N 421.505 1.683 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc(F)c(F)c2)CC1 1690110360 IPSGATLMQJIQLQ-UHFFFAOYSA-N 416.476 1.692 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCN2CCC)CC1 1690154191 JXGCKYPQBRWGQO-IBGZPJMESA-N 416.570 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1690204978 XMEFLJKUCCDJSS-JBYIUTFZSA-N 414.554 1.722 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690485552 WOPQOJAHGMYQSO-HZPDHXFCSA-N 404.540 1.874 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC)C1CC1 1690545776 YMXWNZFFCADOMU-ZDUSSCGKSA-N 407.496 1.518 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1690720637 OPWHYFMFCLPGGI-MRXNPFEDSA-N 418.519 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)F)CC1 1690732161 WRXFYEWFIVTZFM-CQSZACIVSA-N 419.498 1.118 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@H](C#N)C1 1696477658 FPUQSGKVTHJWOX-OAHLLOKOSA-N 415.475 1.855 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@](C)=O)CC1 1696675864 AQYVUMDXFVDNSD-OFJJUDJNSA-N 412.519 1.648 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1Cc2ccccc2O1 1698060841 IFSKYJBAGUJMAD-DLBZAZTESA-N 410.478 1.599 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC2(C(N)=O)CCCC2)CCO1 1698492414 CIGWPYKIPCRSSV-MRXNPFEDSA-N 412.469 1.782 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705566308 MHSXVYLKHIJSNT-KSZLIROESA-N 422.551 1.716 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1705728069 TUOAHKKYTZRLRT-UHFFFAOYSA-N 414.470 1.923 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COCCO1 1705878707 XYUFPVYWVCOQNE-QGZVFWFLSA-N 403.483 1.660 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705907304 HXEXSMBROCFSED-INIZCTEOSA-N 415.498 1.582 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)O[C@H](C)C1 1705927915 IVGAKLXTMCCFBL-CABCVRRESA-N 413.544 1.021 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705939967 RIPPCFNGXFGNQK-HNNXBMFYSA-N 422.555 1.757 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1705947037 YHUFHLLXHQDOAE-OAHLLOKOSA-N 415.585 1.376 30 10 HDEE CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@@H]1C 1710217048 WGELQVQXBMKJQV-HOTGVXAUSA-N 411.510 1.832 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1710886463 JSWCKZGMYMMJAN-QGZVFWFLSA-N 424.571 1.584 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1711510008 AVZUWZNNCJKRHP-CVEARBPZSA-N 419.493 1.752 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H]1COCCO1)[C@@H]1CCS(=O)(=O)C1 1722368425 RIZDDLVNRGXBNH-IAGOWNOFSA-N 424.567 1.299 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCCCO2)CC1 1722431397 JWQDYMLKBUCTQM-GOSISDBHSA-N 423.521 1.640 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1722464681 OJKBNLRXDHWTBN-MRXNPFEDSA-N 407.540 1.227 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722603738 MIAACEBFVIUMFR-VFNWGFHPSA-N 416.526 1.953 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722691166 NZAWEFTVFOCTCC-UHFFFAOYSA-N 423.514 1.948 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1722701724 AYAYZLWBNRVVLI-IBGZPJMESA-N 424.505 1.892 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCCO)CCOC1 1723691451 LMQKEVRQSFENJA-YLJYHZDGSA-N 407.515 1.600 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1conc1COC 1730846344 ZQIMPSRCJFVRCT-SCLBCKFNSA-N 408.434 1.627 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1730920842 YWMPPFFJTXRKRC-IEBWSBKVSA-N 424.505 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1740603932 KVRPWYFFLFUFCO-CQSZACIVSA-N 404.492 1.466 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1740624449 IXKIVNYCYJGJQK-RXVVDRJESA-N 420.579 1.799 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1740662097 ORCHZOKIHJGRMK-HNNXBMFYSA-N 415.523 1.398 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCCS2(=O)=O)CC1 1740694412 IWKSBFKNYMXIBQ-MSOLQXFVSA-N 421.567 1.242 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)N(C)Cc2ccccc2)CC1 1740700926 NJNRUZILKOICRG-HXUWFJFHSA-N 422.533 1.543 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OC)n1CCCn1cnnn1 1740735250 LPBWHVFRRLXBPV-OAQYLSRUSA-N 422.493 1.935 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740799152 GWIXANNPIXOCSG-CVEARBPZSA-N 404.471 1.992 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740802060 IFQXEZPBMBYWRJ-IHRRRGAJSA-N 402.952 1.314 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1740895069 QTFDEXNQAXJPKW-UHFFFAOYSA-N 415.494 1.867 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1740963991 DPZXEJOJPKLWHI-HXUWFJFHSA-N 403.458 1.354 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740986754 GQCPFZYLMSROGV-HIFRSBDPSA-N 424.527 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740991322 TYGNBXXSLXIFDR-KRWDZBQOSA-N 404.540 1.323 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H]1CO 1741803894 TYFNQNPLYFIMAW-BRWVUGGUSA-N 403.531 1.204 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1745801095 DDVCAFGZRRHYLA-LJQANCHMSA-N 404.421 1.964 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(F)cn1 1747129395 FACSZVAGXFZMON-UHFFFAOYSA-N 409.425 1.932 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CC1 1748641434 GYASTOKFRHQWCC-BEFAXECRSA-N 410.540 1.354 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1748650576 AKJGZNGIMJHPTA-HNNXBMFYSA-N 418.519 1.348 30 10 HDEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CCCn2cnnn2)cc1 1748713138 FRTGWMOMNOXYKP-UHFFFAOYSA-N 421.509 1.889 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1748729908 FKDUACCDPUHLHV-YRNRMSPPSA-N 404.467 1.848 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)COCC)CC1 1748977794 DDHJJDHNMCNJOR-QFIPXVFZSA-N 419.570 1.748 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1749047522 YDTBATYVRBBOBD-INIZCTEOSA-N 424.530 1.762 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2c[nH]nc2C)C1 1749717665 OBUVCCWXJIQIFP-GOSISDBHSA-N 413.526 1.846 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCO[C@@H](C)C1 1750155033 WNORQUUOXVINMU-FKSLSLAPSA-N 419.526 1.936 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1751763793 PGNDXDMIOIVWES-OCCSQVGLSA-N 408.553 1.664 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CC1 1760102404 JPQKBHBNRXXZOU-CQSZACIVSA-N 403.508 1.178 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(F)cc2Br)n1Cc1nnn(C)n1 1760104720 DITDTTPCNSRSOE-SNVBAGLBSA-N 419.262 1.876 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760136204 RLIBGFZLVNIVES-MRXNPFEDSA-N 404.540 1.605 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1760163682 ZIGDPZRMGHLQPR-CYBMUJFWSA-N 418.498 1.821 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C 1760209875 IVRORKWLQHRQAM-OAHLLOKOSA-N 418.523 1.199 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CNC(C)=O)C1 1760445174 BSHPVBNASSJFMW-KSZLIROESA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCCCC1 1760518094 IUCFVEHOGXMHCB-UHFFFAOYSA-N 407.482 1.603 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H]1C 1760523302 SUDYJMHXFFDOGX-AWEZNQCLSA-N 417.539 1.529 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](CCC)C1 1760530460 PVVQDFRJAOAZMT-JZXOWHBKSA-N 407.515 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(OC)C1 1760552142 DERVZZBUUTWJRH-LJQANCHMSA-N 405.524 1.946 30 10 HDEE Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCCNS(C)(=O)=O 1762538423 CKJDVDMNSLGOGX-UHFFFAOYSA-N 400.508 1.691 30 10 HDEE CCCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1764424216 XVDDEVZGOOPPJC-NRFANRHFSA-N 417.533 1.964 30 10 HDEE CCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768089144 SXYGPQUTECLLGR-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769522164 ZDTHZGLYEXKXPM-UHFFFAOYSA-N 408.466 1.639 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1770787204 SIHVEBIWWSKUHB-CVEARBPZSA-N 400.414 1.442 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)NCC#Cc2cnn(C)c2)cc1 1850090705 VAYSQIMDSLAJQE-IBGZPJMESA-N 416.503 1.140 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3c(=O)sc4ccccc43)CC2)nc1 1852739935 DKEYJJAWBMBQRJ-UHFFFAOYSA-N 423.498 1.695 30 10 HDEE CN1C[C@@H](CN2CCC([C@@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)CC1=O 1853848952 KOZZKABMJLKNQI-FXAWDEMLSA-N 408.502 1.737 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)C(C)(C)C1=O 1854532398 LXQYLNJXGGNJMO-UHFFFAOYSA-N 410.492 1.808 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636895 IJWVYPVUXHVFLZ-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE CCc1nccn1CCC(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)[C@@H](C)C1=O 1855170984 UAPHOHHSXRRPNW-INIZCTEOSA-N 407.474 1.649 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)Cn2nnc3ccccc3c2=O)C1 1855406932 BOJGFIFGABITBE-IRXDYDNUSA-N 409.490 1.597 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC[C@H](Oc4ncccn4)C3)CC2=O)ccn1 1855728368 VIXKHUWPLATDFS-QAPCUYQASA-N 406.446 1.275 30 10 HDEE Cc1ccc(OCC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1856891795 XHOPODNYECSLIN-KRWDZBQOSA-N 402.428 1.793 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc3ccccc3n2C)C1)[C@H]1CCN(C)C1=O 1857263281 FGUHXWIULQEXMM-LPHOPBHVSA-N 408.502 1.886 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857281570 MAYRLNVWQYSBSQ-WBVHZDCISA-N 403.454 1.298 30 10 HDEE C[C@@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857335173 ZRCBWJIUXAXXAS-APWZRJJASA-N 417.531 1.375 30 10 HDEE C=CCNC(=O)[C@H](CCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861496926 USBWLXLUPILOLT-AWEZNQCLSA-N 407.467 1.029 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c([N+](=O)[O-])c1)c1cccc(O)c1 1862597491 VFNQGBYZSKXJTD-INIZCTEOSA-N 400.343 1.577 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CCC)nn2C 1865225360 VMCGWPIEDJDHBA-SFHVURJKSA-N 424.501 1.835 30 10 HDEE N#Cc1nnn(-c2ccccc2)c1NC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 1870150335 CEHPPPIKVWNWPP-AWEZNQCLSA-N 416.397 1.829 30 10 HDEE Cc1ccn2cc(C(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)nc2c1 1889338189 SFESYJNNCJVSOY-UHFFFAOYSA-N 409.534 1.515 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)C[C@@H]2CSc3nccc(=O)n32)CC1 1891126162 JHNFTQFPIDHYQE-MRXNPFEDSA-N 411.487 1.864 30 10 HDEE C=C(I)COc1c(F)cc([N+](=O)[O-])cc1S(N)(=O)=O 1894442084 IQNSLHSTFUKZKH-UHFFFAOYSA-N 402.141 1.709 30 10 HDEE C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174785890 DDYROHPJSYDELC-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE COC(=O)[C@@H](C)CS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 2183620618 SRMZKARXJHQIAP-NSHDSACASA-N 403.331 1.276 30 10 HDEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387560 WMGCSUYAVDVBOU-UHFFFAOYSA-N 406.292 1.520 30 10 HDEE Cn1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2248247708 SLQAWGNTZWLZBU-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE C=CC[C@@]1(CN)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259552611 VPHRNYYIKPKXPX-FQEVSTJZSA-N 405.520 1.762 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCc2c[nH]c(=N)s2)OC1(C)C 2267376334 UKLUMTYYEZRMCH-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCO[C@H](CN)C3)c2Cl)OC1(C)C 2281937179 WONIKUZRTLIEDX-QWRGUYRKSA-N 400.737 1.937 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282344587 WCLLYSGFIXZKNS-SHZVTRLKSA-N 401.359 1.421 30 10 HDEE CN([C@@H]1CCCNCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345787 JKDFLWSAZXLBCX-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CNC(=O)[C@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282496584 DGNIEZZYBWPWOR-JTQLQIEISA-N 402.709 1.052 30 10 HDEE CC(C)[C@H](O)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497907 WOUBLMYVNASUKL-OCCSQVGLSA-N 403.375 1.872 30 10 HDEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)C1 2282601474 DSFVBQJOQVBTTH-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3COC[C@H]3F)c(Cl)c2)OC1(C)C 2282829721 JBDOGJKSUHUEOW-OLZOCXBDSA-N 405.684 1.654 30 10 HDEE COCCOCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282837662 WIYHDNCHVFXGNF-UHFFFAOYSA-N 405.347 1.297 30 10 HDEE COC(=O)CCN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282840173 LRSJTRJHAOCASX-UHFFFAOYSA-N 403.331 1.539 30 10 HDEE C[C@@H]1C[C@H](O)[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282862024 XUFIZDGLOXOMIX-BZPMIXESSA-N 401.359 1.827 30 10 HDEE CN[C@@H](C)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869317 ARNGRJXKPSCVKR-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE C[C@@]1(C(=O)O)CN(C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)CC1(F)F 2295481349 IYYHNLNXOFVAKS-DTWKUNHWSA-N 400.222 1.554 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](N)(C#CC1(S(C)(=O)=O)CCC1)CS2 2342073921 IJCUBBUNGGGYJK-INIZCTEOSA-N 400.566 1.781 30 10 HDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365170233 KQTBQDTVKFGDFO-KUHUBIRLSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365195897 GRNZFLQVIOMGRF-DOXZYTNZSA-N 401.525 1.590 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365248227 KZLZQGDOBAMZCU-ZIAGYGMSSA-N 405.513 1.976 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367802380 AKGTWVXVICKBRN-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CO1 2367805108 YOGLIMVBLFMWIT-PMPSAXMXSA-N 401.525 1.638 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@H]1CCN1C(=O)OC(C)(C)C 2367825775 RYTNGBCGRPYAGG-IIDMSEBBSA-N 400.541 1.306 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(CC#N)c2ccccc2)cc1 9333257 XJNNZCZVBQEXDZ-UHFFFAOYSA-N 415.471 1.763 30 10 HDEE C=CCNC(=O)CN1CCN(CCS(=O)(=O)c2cc(Cl)ccc2Cl)CC1 22849371 BXCWBZGHPTZJPC-UHFFFAOYSA-N 420.362 1.687 30 10 HDEE C=CCN1C(=O)/C(=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21 33749812 UZSKYOZQYNSWPF-OUKQBFOZSA-N 410.498 1.678 30 10 HDEE O=C(CCn1cnc2ccccc2c1=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96350938 FHJDPWAKLGMSRQ-UHFFFAOYSA-N 415.453 1.484 30 10 HDEE C=CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCOC)C3=O)CC1 169903108 VEXBAPXCAASNGP-UHFFFAOYSA-N 415.446 1.400 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3O)n2Cc2ccccc2)n(C)c1=O 254399939 DVWPXTSVNYEWEQ-UHFFFAOYSA-N 420.429 1.339 30 10 HDEE Cc1c(NN=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c(=O)n(-c2ccccc2)n1C 263631595 CWCKGKCVPOGAFR-UHFFFAOYSA-N 418.413 1.535 30 10 HDEE C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409698179 CLWIVELMYYOJSH-STQMWFEESA-N 412.479 1.728 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 410138861 UUXKYORVTZPRAH-IHWFROFDSA-N 406.552 1.878 30 10 HDEE CC(C)(C)c1nc(CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)no1 447655043 XAYUCOBNAYLQOC-UHFFFAOYSA-N 407.471 1.884 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@@H]3CCN(Cc4ccccc4)C3)CC2)o1 474236924 XHRRLOILAAKBDN-HXUWFJFHSA-N 422.533 1.710 30 10 HDEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2CC)c1=O 512786294 YGGKJHYBGHPQDB-UHFFFAOYSA-N 422.510 1.931 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C 520969795 WFEAPVWIVBSQCN-FQEVSTJZSA-N 418.501 1.966 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1=O 541190657 NXIDYMRQDNRGRN-OAHLLOKOSA-N 407.883 1.415 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cc(F)ccc3N3CCOCC3)CC2)n1 546893019 DHMMCZJCVGSYBR-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE Cn1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n[nH]2)c1 557488796 LFTSMKDIWVTUCY-UHFFFAOYSA-N 424.486 1.434 30 10 HDEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)CCC1 578559375 FBUREWIUUFUQMW-CQSZACIVSA-N 412.309 1.946 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccc(C#N)c(Br)c1 588315259 IYRICDJORLYFCM-UHFFFAOYSA-N 401.286 1.820 30 10 HDEE N#Cc1cncc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)c1 589273957 FDRHLFASADCWOV-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 603799751 VMLHYUGNFPMSFS-KRWDZBQOSA-N 409.511 1.203 30 10 HDEE C=CCc1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc(OC)c1OC 732458247 GVVVYNXILYEDRS-CZIZESTLSA-N 414.462 1.758 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1CCN(C(=O)c2cccnc2)CC1 734291416 OXIUZDGXZRYDEW-UHFFFAOYSA-N 412.471 1.619 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 742573721 QAQLZVCFKQURIG-LBPRGKRZSA-N 403.403 1.568 30 10 HDEE CC(C)(C)S(=O)(=O)N1CCC(Nc2ccc(S(N)(=O)=O)cc2C#N)CC1 755042527 RDYKHDJINWKSEV-UHFFFAOYSA-N 400.526 1.210 30 10 HDEE O=S(=O)(Nc1nncs1)c1ccc(NN=Cc2cn3cccnc3n2)cc1 757584075 KSTPXWRRXPXYER-UHFFFAOYSA-N 400.449 1.828 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2C)N(CCc2nnnn2C)C1=O 771536317 FYAWZIPIDGUNOD-AWEZNQCLSA-N 401.496 1.137 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 780205231 KGLPNVNXLCCRJG-VBKZILBWSA-N 410.426 1.653 30 10 HDEE CCN(C(=O)[C@@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 781394073 DBVHKCYRZHHMJF-PBHICJAKSA-N 404.488 1.557 30 10 HDEE Cc1nn(C)c(N2CCN(Cn3c(C)nnc3-c3cccc(C#N)c3)CC2)c1C#N 788044459 NIVIAVNPHNBFDI-UHFFFAOYSA-N 401.478 1.819 30 10 HDEE CS(=O)(=O)CCn1cccc(NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1=O 802920073 HSSRFADLNOTHRY-UHFFFAOYSA-N 403.435 1.574 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(CC(F)(F)F)C(=O)C2)C1 807109955 OHVAAFDKLKLGTB-NWDGAFQWSA-N 419.404 1.162 30 10 HDEE Cc1ncc(S(=O)(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1C#N 813698522 VXJCMPCRPPATTG-IBGZPJMESA-N 413.459 1.398 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](c2cnn(C)c2)C1 849480040 ARLUUNGBQRKZSJ-VXKWHMMOSA-N 406.534 1.671 30 10 HDEE C=CCCn1cc(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]43)C[C@H]2OC)nn1 941958341 JDHBXFZQWFBGJT-DOEOUOAPSA-N 401.511 1.636 30 10 HDEE COC(=O)[C@H](NC(=O)COc1cccc(Br)c1C#N)c1ccnn1C 1130105537 GRIBVOGEJLERDV-OAHLLOKOSA-N 407.224 1.464 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 1132249277 JDCIEFGZRXJLLU-AWEZNQCLSA-N 403.416 1.016 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2CN(S(C)(=O)=O)C2)nc1C 1144387838 RMACKPYFYVQCFM-UHFFFAOYSA-N 414.538 1.015 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2CCOCC2)C(=O)OC)cc1 1153509265 GMRMHNUGRJSWMS-KRWDZBQOSA-N 410.492 1.239 30 10 HDEE C#C[C@@H](C)NC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1155140693 WPJISBXFRRNYDX-LLVKDONJSA-N 412.284 1.887 30 10 HDEE C#CC1(O)CN(C(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)C1 1158397622 GGEHIXSHGJMPLP-UHFFFAOYSA-N 406.485 1.159 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 1159641220 HMIPNFUCYQWWFQ-KBPBESRZSA-N 410.268 1.437 30 10 HDEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)[C@H]1CCOC1 1159759857 QNGLBNBMNBPZGT-DOTOQJQBSA-N 408.476 1.320 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3ccc(Br)o3)CC2)cc1 1168707146 GKAYXBWPPAHAJO-UHFFFAOYSA-N 417.263 1.992 30 10 HDEE CN(C)CCN(CCN(C)C)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1186556566 FQWXIPDGOBGUDH-UHFFFAOYSA-N 421.336 1.574 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)[C@@H]1CCCO1 1189432113 ULNDWPQYJLYGKI-RYUDHWBXSA-N 402.266 1.695 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1230716816 MCSIUFCLHGXKJB-CVEARBPZSA-N 420.539 1.681 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1235529752 LAHFHUITTWSYBL-IBGZPJMESA-N 420.535 1.107 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286334839 BPFXBPJVNQPGJU-IAGOWNOFSA-N 414.510 1.700 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1286389118 YLIWBBPNGNYHES-MRXNPFEDSA-N 416.503 1.924 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286389306 HWCZRKGDLBODAK-NJAFHUGGSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286414556 ZFHCSLFECFWHJA-RTBURBONSA-N 407.522 1.647 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1286415317 JFUVOCDWSOCFHB-UHFFFAOYSA-N 416.551 1.426 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1snnc1C 1286450191 NQWWSQWGVFGKKH-UHFFFAOYSA-N 401.521 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCO2)CC1 1286473127 PCQBIAQMSPYZKY-DENIHFKCSA-N 417.554 1.643 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1286571267 KWLNHQZONDZMGB-UHFFFAOYSA-N 408.528 1.021 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1286623062 VDDADXAZVQOFAX-OAHLLOKOSA-N 409.922 1.815 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1286754173 RKWPGJCZVKTQBK-CZIZESTLSA-N 407.478 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@@](C)(C(N)=O)C1 1286784337 FEACNWCFTSTVCM-JOCHJYFZSA-N 419.489 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOCC2(CC2)C1 1286820586 NWLCTSFFFXMIAH-INIZCTEOSA-N 410.540 1.390 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCOC1 1286961102 RNUMHVUGLVBMFO-SJORKVTESA-N 404.515 1.553 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)c(F)cc3F)C[C@H]1CS(=O)(=O)C2 1289436319 MQMLSNAYHWWODY-RMLUDKJBSA-N 405.220 1.738 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1291596137 MRNGTDZELDDXFS-PKOBYXMFSA-N 423.535 1.231 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCCS(=O)(=O)C1 1291993089 DQBGNRMJWNEESK-CABCVRRESA-N 424.571 1.617 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOCCOC 1293097854 ZVMMWJPGHPVSCX-UHFFFAOYSA-N 416.530 1.134 30 10 HDEE CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1295431466 BIVVIDUDANSNII-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296134640 ZJOVWSZIKFKANA-LVCYWYKZSA-N 419.549 1.640 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCSC)[C@@H]1CCS(=O)(=O)C1 1300487107 GDESZQKKGXCGOV-MRXNPFEDSA-N 405.549 1.720 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(OC)nc1)[C@@H]1CCS(=O)(=O)C1 1300491357 HJIVMCNOCNFVJO-QGZVFWFLSA-N 415.519 1.624 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300493246 SUUJPKNJXRHOIH-IAGOWNOFSA-N 417.535 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N[C@@H](C)CC 1300505973 LGRWOCIJABOBDE-INIZCTEOSA-N 407.478 1.303 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccn(C)n1 1300648165 LKCDNFIMPPSVIR-IBGZPJMESA-N 421.480 1.984 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1 1300894301 ABTHNWNTTLDWQO-UHFFFAOYSA-N 405.591 1.845 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)(C)C 1300996400 GLZIXPXUQLFTPV-UHFFFAOYSA-N 406.531 1.344 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1301197615 VZOVCLZBUNGTLM-LSDHHAIUSA-N 407.544 1.582 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301498557 QOWCQXRNGJOOHX-ZDUSSCGKSA-N 414.432 1.353 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](Cc3cnn(C)c3)C2)nnc1C(C)(C)C 1301596154 JFSHQKIXPYUYMV-INIZCTEOSA-N 420.583 1.979 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCOC1 1301959513 HWQUNLSZFAVLHG-JKSUJKDBSA-N 407.482 1.943 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCCOCC2CCOCC2)CCO1 1303005346 YSGQGDFUYMAUSD-KRWDZBQOSA-N 400.483 1.835 30 10 HDEE CC1(C)CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1303973806 UTVPDVRKOVGPMY-HTXNQAPBSA-N 423.477 1.482 30 10 HDEE CC(C)(C)OC(=O)NCCCCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305590859 UHLYRMRCCJOGOY-UHFFFAOYSA-N 405.455 1.289 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1306546480 CFQQVHFZETWXNS-LZQZEXGQSA-N 424.505 1.931 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1307960696 BVHOBTMPQVDTHM-GOSISDBHSA-N 407.536 1.222 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316325279 WPWAEOYAHJKJJM-STGLLQLASA-N 409.450 1.092 30 10 HDEE COc1ccc(CNC(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1318037180 LPMDWVATLYRSAS-QGZVFWFLSA-N 407.426 1.779 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1cccc(N2CCNC2=O)c1 1325566017 DYMFXSZCTUYQTQ-UHFFFAOYSA-N 400.416 1.215 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)Nc1ccccc1 1358872403 UIGITQPYVXHRBM-GJZGRUSLSA-N 418.523 1.375 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960950 PCILGFOLQJLDHQ-CVEARBPZSA-N 402.524 1.351 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358961058 QVLISFMOFVLTIJ-INIZCTEOSA-N 403.508 1.392 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358967776 RUSWYKSDVGMUQO-GPMSIDNRSA-N 410.540 1.307 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1358977208 HKFMPAMLDHSPGH-OAHLLOKOSA-N 400.483 1.169 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccn(CC)c1=O 1358984470 WUTMKVNCCDZWRF-UHFFFAOYSA-N 406.490 1.207 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1358999620 XNTORNYISPWOMX-UHFFFAOYSA-N 403.508 1.328 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1359009612 USXXGLHDHPERCN-GHTZIAJQSA-N 419.595 1.840 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)CC=C)CC1 1359031592 IASAXADMMHRNAE-UHFFFAOYSA-N 424.530 1.173 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1359034061 AVIWXOIAHGOGQY-OALUTQOASA-N 411.554 1.528 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCN(C)S(=O)(=O)CC 1359068446 ANNZFTJZKYSUFB-LJQANCHMSA-N 417.539 1.399 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359198758 ZJNXCWKTQXLGQT-OWCLPIDISA-N 424.571 1.302 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](COC)C1 1359331044 LOPWRJNWPSWFAY-INIZCTEOSA-N 405.524 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1C(C)(C)C 1359335349 JBUMKZNOQCZKBN-HNNXBMFYSA-N 423.583 1.671 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3[S@@](=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1439803765 SQHWYNWMGGSJDQ-FSOGGBRRSA-N 406.407 1.324 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)OC(C)(C)C)cn2)CC1 1443360086 SSEUTZYXYQGVIN-UHFFFAOYSA-N 415.494 1.326 30 10 HDEE C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1452948605 YESYDXUQSIZZCS-JCGIZDLHSA-N 405.495 1.914 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C1 1460332377 PBGIJTORACMYFE-GOSISDBHSA-N 420.395 1.683 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCc3c(C#N)cccc32)C1=O 1461033113 PAAXHLIHLWAPIS-JOCHJYFZSA-N 404.426 1.923 30 10 HDEE C#CCN(CC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)OC(C)(C)C 1463841172 SJUFLMJGSXGUIA-UHFFFAOYSA-N 413.478 1.943 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN(S(C)(=O)=O)CC2)CC1 1463987084 LBIMEAFRMSGTQX-UHFFFAOYSA-N 413.540 1.177 30 10 HDEE COC(=O)[C@H]1CSCCN1S(=O)(=O)c1cc(Br)ccc1C#N 1464536744 CCAXCXCOSYEYFZ-LLVKDONJSA-N 405.295 1.600 30 10 HDEE Cc1nnnn1-c1ccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1467705348 BHNLNXDGGCSHML-LJQANCHMSA-N 401.430 1.373 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)CNS(=O)(=O)c1ccc3c(c1)OCCCO3)C2 1469462778 WTHNTXIKOPGERH-UHFFFAOYSA-N 413.455 1.540 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)C[C@H]2CC[C@H]1C2 1469870729 FKXOZZJYSINQGF-CMKODMSKSA-N 402.520 1.495 30 10 HDEE C#CC[C@H](COC)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1470737816 DPSGUCHGLCVNMQ-MRXNPFEDSA-N 418.519 1.224 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)cc1 1471059797 POGFSDXSOBJHQG-RTBURBONSA-N 402.472 1.415 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)C1 1471606668 FMANGMDCWTZDSF-UHFFFAOYSA-N 419.390 1.899 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)CC(=O)C=CO3)s1 1472151544 XJHNRCUQWPPTNL-UHFFFAOYSA-N 410.517 1.619 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCc2nnnn2CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1478844079 OROOLGAEFNXIOY-OAHLLOKOSA-N 417.514 1.422 30 10 HDEE CCOC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1502549499 UFGGEGPDNKHJHS-CYBMUJFWSA-N 402.455 1.550 30 10 HDEE CCO[C@@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1502695073 ISDPHXCVWAHPIK-NIQRWSHPSA-N 416.482 1.057 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(OC)c1 1504997819 FRCJQJUROVQKOM-VQIMIIECSA-N 415.494 1.982 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1505013924 ACUKRDLMJPWCJZ-ZBFHGGJFSA-N 413.482 1.436 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1507519514 RTWKZKHKDNCOSC-MRXNPFEDSA-N 401.536 1.755 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1507531433 DZYAYJOGGQQPSE-QZTJIDSGSA-N 410.522 1.910 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507624560 BMTCAFUPFZDTQI-HZPDHXFCSA-N 410.540 1.429 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1507632908 BNYMYPPCMPAFME-MOPGFXCFSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H]1C(=C)C 1507659822 GISXBWYXQAHGEU-RCCFBDPRSA-N 419.551 1.332 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(N2CCNC2=O)CC1 1507962707 WFFKROOLTORUCA-UHFFFAOYSA-N 412.498 1.322 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1507992604 BJLTWGBISOCDRP-QGZVFWFLSA-N 410.478 1.296 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCSC2)C1 1508118093 WMPLPAGAUYOYGP-UXPWSPDFSA-N 424.567 1.580 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(C(C)C)CC1 1508137329 MLNDPUFNMVUHMT-UHFFFAOYSA-N 406.556 1.795 30 10 HDEE C[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1510342214 FRGKULSETURXOG-RBUKOAKNSA-N 415.429 1.173 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2Cl)n1Cc1nnn(C)n1 1519166254 GIMYXVGJCMLCCI-UHFFFAOYSA-N 401.862 1.537 30 10 HDEE Cc1cc(NC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)c(C#N)cc1N(C)C 1527779621 HNSGZYFLDYFQNG-UHFFFAOYSA-N 406.446 1.439 30 10 HDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)COc1cccc(Br)c1C#N 1534943704 DTCUMJCIUASYAD-FZMZJTMJSA-N 411.252 1.879 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2cnc3c(c2)NC(=O)CN3C)cc(OC)c1OC 1536337191 WPKIJXKQFFMWOH-CQSZACIVSA-N 411.418 1.490 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cc(C)oc1C 1538973789 QBOHWIIJVIWRHM-PJFSTRORSA-N 423.539 1.464 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539076265 OLJGGNJNPYMWCS-SFHVURJKSA-N 416.551 1.585 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1539219453 COKVOWCPSSFGMB-MSOLQXFVSA-N 424.567 1.616 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ncc(CC)s1)[C@H]1CCS(=O)(=O)C1 1539226457 YRYIHQRUQWRQBG-HNNXBMFYSA-N 419.576 1.925 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)s1 1539295921 IDPOCAGDWNSQCL-HNNXBMFYSA-N 405.549 1.769 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cnn(CC(C)C)c2C)CC1 1539445938 LATHUDFLYNQUMC-LJQANCHMSA-N 424.553 1.194 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ncn(-c3ccccc3)n2)CC1 1539468765 IKAXPYLUMWMGKX-UHFFFAOYSA-N 404.478 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(CC)C2)CC1 1539476306 VAPGDOMGIMIHKM-SFHVURJKSA-N 421.549 1.648 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539513432 JQHQNZIPMJKWMH-UHFFFAOYSA-N 402.524 1.433 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)N(C)C 1539563232 IIFMVHRHYLLUFR-GOSISDBHSA-N 422.580 1.517 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539743782 QZIVQQJDFIVYCZ-INIZCTEOSA-N 422.555 1.346 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539751705 SHIJIKWBBFTGIO-JKSUJKDBSA-N 400.545 1.634 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)C(=O)NC(C)C)CC2)nnc1C(C)(C)C 1540041890 GGSKJKBISNTYOB-UHFFFAOYSA-N 420.558 1.342 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCc1nccs1 1540874971 XUDUESCRUABJFS-UHFFFAOYSA-N 414.539 1.577 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 1540901948 VVQAEPXJWFKSCY-UHFFFAOYSA-N 401.496 1.466 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC1(O)CCOCC1 1541664403 FEDNNZMEKXGBGK-IBGZPJMESA-N 404.515 1.478 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1541989114 GUAJLRPDWFOXGY-OXJNMPFZSA-N 416.526 1.584 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)n1 1542721331 HCBWOQXVUIVKGS-NEPJUHHUSA-N 422.536 1.552 30 10 HDEE COc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C)C2=O)cc1 1554969178 QPYAHQQKOYHPNV-QVKFZJNVSA-N 412.494 1.940 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)C1=O 1556382947 AOLBZZOHWIVZCO-INIZCTEOSA-N 420.514 1.442 30 10 HDEE COC(=O)[C@@]1(NC(=O)c2nc(O)c(C#N)cc2C)CCCN(Cc2ccccc2)C1 1557277609 AZJJQVZLLFFRSG-JOCHJYFZSA-N 408.458 1.905 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(CO)COCC2(CCC2)N1C 1557540317 XXWYLCNDTVDGDC-KKSFZXQISA-N 409.527 1.025 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1557770144 QDCRQUUFWYHLJT-KRWDZBQOSA-N 403.504 1.569 30 10 HDEE COC(=O)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 1558396095 YUKRIFQRKBWODY-MRXNPFEDSA-N 421.519 1.743 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1=O 1559824180 CRXNGCLADIDGCG-GJZGRUSLSA-N 408.499 1.374 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C[C@H](O)c1cccc(C#N)c1 1559976416 SOESXRQNPTYTPY-IBGZPJMESA-N 416.503 1.412 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 1561564957 FGGBBDVHHAEXBT-GXTWGEPZSA-N 408.423 1.917 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1561675432 KQNJCCNUJQEWIM-YOEHRIQHSA-N 402.538 1.587 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1564847067 GBMFAFJCVXAZQK-CVEARBPZSA-N 418.460 1.199 30 10 HDEE N#C[C@H]1CN(C(=O)NCCc2nnc(S)n2C2CC2)CCN1Cc1ccccc1 1564996067 NTSRJWOMJUUKHF-KRWDZBQOSA-N 411.535 1.864 30 10 HDEE Cn1cc(-c2nc([C@@H]3COCCN3C(=O)NCCc3ccc(C#N)cc3)no2)cn1 1565064350 DTYUEUCIRXDPKN-KRWDZBQOSA-N 407.434 1.667 30 10 HDEE C[C@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1(Br)Br 1565630032 PRTTWTLNRNCLQQ-ZWLSGLHFSA-N 421.089 1.525 30 10 HDEE CC(C)C(=O)NCCN(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1567207024 AZWDXQFHTGZENM-UHFFFAOYSA-N 407.312 1.988 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)CC(O)C1 1567385884 VGHBCINSOQXYIT-UHFFFAOYSA-N 401.463 1.814 30 10 HDEE C=CCc1cc(C(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc(OC)c1OC 1587429939 ZRWRRJNWRZZQQA-MRXNPFEDSA-N 408.462 1.879 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1587793187 JDDBSYCCWHZIPH-KRWDZBQOSA-N 423.525 1.771 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1587847292 IFCUEQCQKIGKDB-CQSZACIVSA-N 419.507 1.433 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN1CCOC(C)(C)C1 1588003128 RGKPLGCTHMPYKS-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1588079025 PZNBIVLONHAGCX-IUKKYPGJSA-N 418.501 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)C1CC1 1588093219 GGUYYOJDSHVJEU-UHFFFAOYSA-N 415.295 1.635 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1588211295 XSEDDVZCGDGADS-UHFFFAOYSA-N 414.469 1.959 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1589109560 FRGIGVCLEAWOBS-IBGZPJMESA-N 424.578 1.683 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1595234633 WKPMLSQIFXQHIS-UHFFFAOYSA-N 420.521 1.926 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)C1 1595723012 PXAOBSUTRBGVCW-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238738 SVAKAJPYCXWMQZ-BTYIYWSLSA-N 401.463 1.908 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1611767037 GFUSFMBEDNABLI-KKSFZXQISA-N 407.478 1.506 30 10 HDEE Cc1nc(Cc2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cs1 1612387744 XCHJYQWHBXYMSJ-ISLYRVAYSA-N 413.507 1.759 30 10 HDEE CCOC1CC(O)(Cn2c(CC)nnc2N2CCN(Cc3ccc(C#N)cc3)CC2)C1 1616572837 FZBJPHJCMLBQCX-UHFFFAOYSA-N 424.549 1.964 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1617727978 CANRVGAGTVAKOP-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1618297407 OYBMSSGEUSLGKK-UHFFFAOYSA-N 410.522 1.889 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CC2)c1 1620151153 SLOSUMSGECWSQA-KRWDZBQOSA-N 405.455 1.315 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3C(=O)N=S(C)(C)=O)n[nH]2)c1C 1625972267 GEDJUUKGABJXEE-INIZCTEOSA-N 418.523 1.935 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3CCC(S(C)(=O)=O)CC3)CC2)o1 1626034618 MVWXSKOXZMAESL-UHFFFAOYSA-N 408.524 1.791 30 10 HDEE C#CCN(CC(=O)Nc1ccc(OC)c(-n2nnnc2C)c1)C(=O)OC(C)(C)C 1626583553 BFNQODCYQAJYDB-UHFFFAOYSA-N 400.439 1.788 30 10 HDEE C=CCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1626631960 NRGNZDACQJWKOM-OAGGEKHMSA-N 416.540 1.318 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1 1627654771 SCXCJOZPHHTDSE-INIZCTEOSA-N 413.499 1.075 30 10 HDEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H](CO)c1ccccc1 1628297193 IQAZWGMNDOWFPC-MOPGFXCFSA-N 406.442 1.955 30 10 HDEE C[C@H]1CCC[C@@](C#N)(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1628602752 MWOSWVYEHKKFCX-IFXJQAMLSA-N 407.492 1.715 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccsc2C#N)CC1 1629305361 KNOHMLWXGGBIPR-OAHLLOKOSA-N 422.507 1.725 30 10 HDEE Cc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1630543474 DMQWMJZAVWFGKX-UHFFFAOYSA-N 407.473 1.187 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c1 1631734695 ZOMQVAAXUMCJHO-UHFFFAOYSA-N 407.536 1.478 30 10 HDEE COCCN(CC(=O)N(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1632734158 BJFZZNVLXBGGOR-AWEZNQCLSA-N 406.870 1.128 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)C2)c1 1634259799 HIKMMMYJFKERLQ-RTWAWAEBSA-N 420.469 1.953 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@]3(CC(=O)OC)CCCOC3)n[nH]2)c1C 1634537253 UOPCEWFFYXTVJY-HXUWFJFHSA-N 401.467 1.918 30 10 HDEE CON1CCC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1636270903 AGAINBUTTHTIQU-UHFFFAOYSA-N 409.494 1.806 30 10 HDEE C#CCN(CC1CC1)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1636500038 WHMIHPUHXOFHJJ-IKGGRYGDSA-N 410.536 1.528 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1637809192 FEGIMFYZQQQMRR-HNNXBMFYSA-N 405.520 1.365 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)CC1 1638449394 WTXGKCURCOWQIW-UHFFFAOYSA-N 405.524 1.204 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[C@@]1(O)CCOC1 1640754639 TWDKSKHOPVVMBM-QGZVFWFLSA-N 413.268 1.756 30 10 HDEE COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1640794148 KCSNKHYRQVRYPD-HOTGVXAUSA-N 403.284 1.290 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)c(OC)c1 1641760628 QJBJQDFWJMEHAD-JOCHJYFZSA-N 418.490 1.279 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)NCc1ccc(CN2CCS(=O)CC2)cc1 1643289610 SLCSLBQQGHMREV-UHFFFAOYSA-N 410.495 1.648 30 10 HDEE C=CCOc1cccnc1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1643560725 LFEDLCLDZVMXDS-UHFFFAOYSA-N 420.447 1.605 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1 1644596338 JCSHLNVGCXDGQA-UHFFFAOYSA-N 411.451 1.606 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(CC(=O)OCC)CCOCC2)cc1 1646830174 IGKFKRYRPHHVLQ-UHFFFAOYSA-N 410.492 1.383 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1C1CCOCC1 1648483636 NAJLTYNJOSUYTH-ZDUSSCGKSA-N 403.464 1.412 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1649538663 SZEDRLHMXRLUJI-LAUBAEHRSA-N 406.527 1.708 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1CCO 1652285716 BWLNSDUTHKNVEE-LSDHHAIUSA-N 404.529 1.244 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1652925466 ADGFXSVASNOPQX-UHFFFAOYSA-N 407.511 1.794 30 10 HDEE Cc1cc(-c2noc(CCC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)n2)ccc1F 1653760656 YWPKZGPMVNHPLS-UHFFFAOYSA-N 424.392 1.334 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc(OCC)c(C(C)C)c2)CC1 1654308971 RQOZTBVJHHOSQV-UHFFFAOYSA-N 421.563 1.655 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cn1ccnc1)C(=O)OC 1654509134 BFOOVJMTVQRKHD-STQMWFEESA-N 400.863 1.577 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 1654510775 RYOUQYYXIWKKKH-PBWTXFEYSA-N 400.500 1.891 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)c1 1655642780 CHHPDEXKGSYLLT-FQEVSTJZSA-N 413.455 1.210 30 10 HDEE COC(=O)Cc1csc(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)n1 1655732459 BDMUJHSJQJFHDT-INIZCTEOSA-N 400.460 1.742 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1cccc(F)c1Br)C(=O)OC 1661655275 WSSRLQQPIRBCMT-LBPRGKRZSA-N 410.261 1.752 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CS1(=O)=O 1671875552 XCMUEVHPMXZQNX-CRYBEJKASA-N 406.508 1.908 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1672798646 NCEPWVDBTMAPCP-OAGGEKHMSA-N 410.515 1.392 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N(CCO)CCNC(=O)OC(C)(C)C)cc1 1673643527 LUUHTIZLGYAJFI-UHFFFAOYSA-N 406.483 1.953 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc3c(ccn3CC(=O)N3CCOCC3)c2)C1 1673988686 KOOBXSNONDVDLN-FQEVSTJZSA-N 423.517 1.719 30 10 HDEE C=CCc1cc(CNC(=O)N2CCN(C)C[C@@H](C(=O)OC)C2)cc(OC)c1OC 1676274751 GOUASGRYDHDFDL-QGZVFWFLSA-N 405.495 1.679 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 1679365237 FCBQTEVWVRWJPN-UHFFFAOYSA-N 422.551 1.509 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682095133 FDKKCCBZZVLCHQ-HKUYNNGSSA-N 405.470 1.181 30 10 HDEE C=CCOCCNC(=O)N1CCN(c2ncc(I)cn2)CC1 1682999057 VDNVLVCFEOAESS-UHFFFAOYSA-N 417.251 1.115 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCn3c(Cc4cccc(F)c4F)nnc3C2)C1 1684082699 GDKMFXXLXMLTEX-MRXNPFEDSA-N 414.460 1.770 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1)C1CCOCC1 1687122626 CAMZNWQGCFDIEW-IEBWSBKVSA-N 423.510 1.706 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1689986015 GYDHNDWYQXBTDY-LSDHHAIUSA-N 406.483 1.746 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCCC1 1690017648 ISJAFWNLGVCLEX-UHFFFAOYSA-N 419.533 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1690124748 SQKQBRAPZUEPAC-SFHVURJKSA-N 414.554 1.234 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690249569 ZGVQNUUYBFESEC-SCTDSRPQSA-N 423.583 1.826 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690508405 IEYILSBXWJGAKG-UZLBHIALSA-N 405.499 1.796 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)F)C1 1690723604 WSKRWTPMCIFOMA-CHWSQXEVSA-N 417.482 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690725510 SJHYXCRFMNOHIT-KRWDZBQOSA-N 406.556 1.254 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC(C)(C)[C@@H]1C 1690726437 ABQBCRBNKLHOCG-INIZCTEOSA-N 419.551 1.868 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1697046271 ZWUOKQXIKLJTRV-MSOLQXFVSA-N 411.462 1.622 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1697996324 FQVGFGRGICPUAY-LJQANCHMSA-N 424.505 1.681 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1COc2ccccc21 1698172411 WRWGCBLWEWSNMP-ZACQAIPSSA-N 413.478 1.907 30 10 HDEE N#CCSCC(=O)N1CCC([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1705299270 FAGNGGQRHYISTR-UQZKUAJDSA-N 403.548 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1705490255 GDNULXOYZUEEHE-ZDUSSCGKSA-N 408.462 1.519 30 10 HDEE C#CCCCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1705522272 ZJTLNEGMWLAMIY-LEWJYISDSA-N 403.527 1.696 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1705572284 WVRKOSSRRMKBIH-UHFFFAOYSA-N 424.549 1.232 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1705618011 PWJCZFZNLYXYGL-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCCS1 1705629081 WSPDEPNTAXAEBS-YJBOKZPZSA-N 412.581 1.552 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705686865 NBOHZWSZMAXHBF-INIZCTEOSA-N 406.288 1.446 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705740722 VEJQQEYFWQRVBY-WOJBJXKFSA-N 407.515 1.225 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1NC(=O)CC1(C)C 1712625155 RXIBWIHWCLMCRW-JKQORVJESA-N 404.515 1.513 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCOC3)nnc2N2CCC(C#N)CC2)CCCC1 1712685366 DHQWEJYLHXCHAU-INIZCTEOSA-N 407.540 1.879 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1712887038 QUYNKIDNUHHVEM-OAHLLOKOSA-N 408.466 1.334 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ncnn1-c1ccccc1 1722342383 XPIAJKLHOKHGRG-UHFFFAOYSA-N 406.494 1.895 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1722367954 NRLPCDGHCFZXLV-MRXNPFEDSA-N 412.581 1.288 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)c1 1722374535 WUQORDOTFDZVKD-QFIPXVFZSA-N 410.522 1.758 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNC(C)=O 1722393067 ZVCANPQSCUXPER-UHFFFAOYSA-N 407.474 1.705 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@]2(O)CCSC2)CC1 1722438899 GRPGCIBTOFUFCT-QFIPXVFZSA-N 411.575 1.801 30 10 HDEE C#CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722463585 GUEOPXFXSLDQAA-WOJBJXKFSA-N 419.551 1.013 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O 1722659335 UFLLBXBQIMNLFS-KRWDZBQOSA-N 405.524 1.524 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722701568 VCGPXKMSVXFLMZ-IBGZPJMESA-N 406.490 1.982 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 1722710489 JTEMHGLVSKFUMK-BZSNNMDCSA-N 403.506 1.714 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCO[C@H]1CCOC1 1723605080 VSEBMFZYHCOVMK-OXJNMPFZSA-N 404.515 1.742 30 10 HDEE C[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1726619405 JXWNBHREZDXXIU-MVZUJROASA-N 407.478 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCOC)cc1 1740558281 RIAUJYWZPCGAOL-KRWDZBQOSA-N 411.506 1.932 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740612156 HNLJDNUWEQXRKL-UHFFFAOYSA-N 424.530 1.632 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1740660923 JERQXUCTXGLVNQ-LJQANCHMSA-N 415.586 1.247 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1740672076 WHYGALYYBPCQNJ-FUHWJXTLSA-N 405.568 1.657 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1740686963 ZCVHXJZZYBYIME-VQTJNVASSA-N 419.570 1.615 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCC[C@H]2C)CC1 1740703782 ADAMZVOYJZXWAE-UZUQRXQVSA-N 424.549 1.801 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccnc1 1740726104 XZHYOKLAXYBLBY-HNAYVOBHSA-N 402.524 1.518 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@H]1C 1740863589 BFGUNCGICJOXKN-NVXWUHKLSA-N 409.556 1.594 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1740989544 QFCDMRMBLUNKAC-AEFFLSMTSA-N 417.535 1.946 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1741104810 OJVYJAAGHPNZOC-HXUWFJFHSA-N 422.489 1.505 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1741174751 BXBJBEXFUQLWEV-OAHLLOKOSA-N 418.523 1.194 30 10 HDEE C[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1741857810 KPKHIFJLOFWZMM-HNNXBMFYSA-N 418.505 1.749 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1741994169 NIPIKWORKMTGLA-INIZCTEOSA-N 412.519 1.300 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1746646295 FIJYMHBUOMYRPS-MLGOLLRUSA-N 418.420 1.347 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748707458 BKHPNTOVJWDYLG-UHFFFAOYSA-N 409.538 1.821 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCN1CCCS1(=O)=O 1748799392 RPSVIPCRNZJVTD-UHFFFAOYSA-N 412.519 1.386 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748817439 KTKGYAODZXYBKQ-JKSUJKDBSA-N 405.524 1.363 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1748830281 SWLNUILSVOCWRJ-VXKWHMMOSA-N 411.506 1.014 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2ncccc2c1 1748846457 HABUJTQNKVQXBT-LJQANCHMSA-N 419.510 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@H]1OC 1748892121 JBOAGIRVJHMIHN-KURKYZTESA-N 404.536 1.458 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC(F)(F)F 1748907313 RVHZWSVVKCAZNG-UHFFFAOYSA-N 402.421 1.335 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1OCCC1(C)C 1748948848 YOIJITREVNIKLD-INIZCTEOSA-N 412.494 1.827 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CCCn1cnnn1 1748956031 GFAKZIXWKCERAW-UHFFFAOYSA-N 400.874 1.761 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCc1cn[nH]c1 1748965809 WZSZCLRTWGMDOF-UHFFFAOYSA-N 404.478 1.568 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC[C@H]2CCCCO2)CC1 1748979222 WGWXDLCKGFTICE-DENIHFKCSA-N 417.554 1.645 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC(=C)Br)CC1 1748992896 JQACCDPPTCIADC-UHFFFAOYSA-N 401.312 1.928 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749040344 UXSKMGUPPFGGAH-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749260654 UYSGHYVRSKCHTA-OAHLLOKOSA-N 417.901 1.803 30 10 HDEE COCCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749644134 CBHISUATIQTWBD-GOSISDBHSA-N 415.542 1.507 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCc2ccco2)C1 1749710515 XVARCZRIGVQOQG-WMZOPIPTSA-N 415.494 1.863 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1750561406 SFQRWDRJHLDXGF-UHFFFAOYSA-N 409.494 1.257 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCC(F)F 1751217294 BXCUFXDJRBIOQD-WBMJQRKESA-N 420.486 1.300 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CCN1CCN(C)C(C)(C)C1 1760100652 XNOSNALDQDLKQX-QZTJIDSGSA-N 406.575 1.486 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnn1 1760233543 YCPSQBBDFAANIC-UHFFFAOYSA-N 403.450 1.735 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1sc(C)nc1C 1760243294 FIPFWRVFQJZFIZ-UHFFFAOYSA-N 402.524 1.722 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCSC2)CC1 1760256220 GJXBDJWTDKHYTR-FXAWDEMLSA-N 405.568 1.439 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)CC1 1760258841 CNDBLPHCFIMOCH-OAHLLOKOSA-N 417.464 1.703 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C(C)=O)CC1 1760334168 SXIXRZGOLWDESK-UHFFFAOYSA-N 400.531 1.245 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccn2)CC1 1760355874 YZPDSYYLVVSCIU-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccsc2)CC1 1760521698 BCNVNJXIRJSLAY-QGZVFWFLSA-N 416.551 1.468 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CC(=O)N(C)CC)C1 1760546730 VEADANUFVXOKGJ-SFHVURJKSA-N 423.521 1.776 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC(F)(F)CO1 1762611855 RREXPMVPVQVDKW-GXTWGEPZSA-N 404.425 1.388 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1766868905 PFZKXLVRKOGNHH-UHFFFAOYSA-N 421.461 1.758 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1767793689 DNALJZQPLZVNPB-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCn2ccnc2C1 1769845110 HIEXVZYWCSHCRX-ZWKOTPCHSA-N 413.526 1.998 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCC(F)F)CC1 1770754496 HHTRUXJCOPWOJX-UHFFFAOYSA-N 403.437 1.775 30 10 HDEE C=CCN1C[C@@H](C(=O)NCCCN2CCc3cc(OC)c(OC)cc3C2)CC1=O 1849995259 GHKQIYFUYWWKLO-SFHVURJKSA-N 401.507 1.603 30 10 HDEE CN(C(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ccc(C#N)cn1 1851486844 CIXFSVPHHLQZFJ-HNNXBMFYSA-N 406.851 1.797 30 10 HDEE CN1CCCC[C@H]1C(=O)Nc1nc2c(C#N)nnn2c2cc(C(F)(F)F)cnc12 1851491735 IAXKFZQSZQJTBA-NSHDSACASA-N 404.356 1.986 30 10 HDEE N#Cc1ccc(N2CCC(COC(=O)C3CN(S(=O)(=O)C4CC4)C3)CC2)cc1 1851812866 QKJVNRIMAOYYBT-UHFFFAOYSA-N 403.504 1.742 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)c1ccc(-n2ncc(C#N)c2C(F)(F)F)cc1 1851900582 RDQAOWNCTVBTHY-UHFFFAOYSA-N 421.379 1.694 30 10 HDEE CN(C)C(=O)[C@@H]1C[C@@H](OC(=O)c2ccc(CC#N)cn2)CN1C(=O)OC(C)(C)C 1852157725 SUKUXNYLSKBEQL-ZBFHGGJFSA-N 402.451 1.771 30 10 HDEE C[C@@H](C#Cc1ncc(C(F)(F)F)cc1Cl)OC(=O)CN1CCNS1(=O)=O 1852921251 XQGXJRNTOPSEDL-VIFPVBQESA-N 411.789 1.187 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cccc(N4CCNC4=O)c3)CC2)nc1 1853077166 CANNIOUMDCRCCY-UHFFFAOYSA-N 420.473 1.462 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1=O 1853683380 WCPOKQAIXDUQKN-MOPGFXCFSA-N 409.490 1.423 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCCC[C@H](N2CCCN(CC(=O)N(C)C)CC2)C1=O 1853858175 MGUVROHPNQOQPO-OALUTQOASA-N 406.571 1.592 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1=O 1854306509 QNYOAQLATABEKC-HUUCEWRRSA-N 408.499 1.721 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCC(S(=O)(=O)Cc3ccccc3)CC2)C1=O 1854831192 FAMAGZGJLQTYET-SFHVURJKSA-N 403.504 1.497 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCSc4ncccc43)C2=O)CC1=O 1854981013 VNGIJDGIGXMVGY-ZBFHGGJFSA-N 400.504 1.546 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CCc2ccccc2Br)CO1 1855056927 GKFIYHLPSNALMM-GFCCVEGCSA-N 403.254 1.394 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855320914 KJQDMCMACRUFHG-KRWDZBQOSA-N 419.547 1.990 30 10 HDEE COc1ccc2c(C(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)cc(OC)nc2n1 1855435844 BCPMVLVKBMCQLR-CQSZACIVSA-N 411.462 1.871 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)c1 1856097079 BDRUOZMEYPAWRJ-LEWJYISDSA-N 410.518 1.876 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ncccn4)CC3)CC2=O)cc1C#N 1856208382 ZKLOJUBYGNEDIA-QGZVFWFLSA-N 404.474 1.468 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCO3)C(=O)C23CCCC3)cc1 1856299903 WMVHAMVFMQPGGJ-QGZVFWFLSA-N 417.487 1.410 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)nn1C 1856347335 IWWJDVFSSIPQEY-HNNXBMFYSA-N 412.519 1.221 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C1=O)CC2 1856532175 SSJATEHPFNXBJZ-HOCLYGCPSA-N 414.897 1.319 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)cc1 1856551799 AGGOKRJIFOPGDV-GOSISDBHSA-N 420.535 1.694 30 10 HDEE Cc1ccc(C)c(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856679718 LIDQPZUFLBVMQW-SFHVURJKSA-N 419.503 1.759 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(F)cc3F)C2)CC1 1857026325 JTWNXTFYKULUQN-ZDUSSCGKSA-N 411.430 1.519 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nc3ccccc3o2)C1)[C@H]1CCN(C)C1=O 1857063143 XFSMGHPQHULJFL-WBVHZDCISA-N 410.474 1.925 30 10 HDEE Cc1nc(C)n(CCC(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)n1 1857434739 XNMABIUXVRRRIQ-UHFFFAOYSA-N 412.469 1.945 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1858403692 SPFQWZXWMYHWFD-OAHLLOKOSA-N 413.455 1.979 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 1858422181 OAECUDNYBNHKIL-INIZCTEOSA-N 413.455 1.614 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCO2 1862626866 HJXKZGGFCLQRCD-GOSISDBHSA-N 413.382 1.787 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794762 GDCGXKKNXANVSW-DLBZAZTESA-N 419.551 1.253 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870562430 GFICKNQMEAAYRR-GJZGRUSLSA-N 419.503 1.165 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(OC)c(OC)c1 1874472263 VFCSIDVHGYPGIB-CIAFOILYSA-N 421.523 1.985 30 10 HDEE C[C@H](OCc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS)C(=O)O 1885479522 OBGFNVYAQHEDNK-CFVMTHIKSA-N 412.508 1.984 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 1892100977 APUQUSLSBGEVFP-ZDUSSCGKSA-N 419.419 1.497 30 10 HDEE C#CCN(CCF)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 1924033013 IJQGNJLTAPUVIQ-UHFFFAOYSA-N 411.192 1.583 30 10 HDEE CC(C)(C)OC(=O)N1Cc2[nH]cnc2C[C@@H]1C(=O)NCB1OC(C)(C)C(C)(C)O1 1985104235 HOMUPEGZCTZHAV-CQSZACIVSA-N 406.292 1.819 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1990024921 XYVOJLISTAPKRQ-MGPQQGTHSA-N 410.320 1.813 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2010385426 VROLAXUFJLGDPD-JTQLQIEISA-N 400.277 1.593 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015322818 JBTUEJIISVSTBU-CQSZACIVSA-N 423.319 1.545 30 10 HDEE C[C@@]1(NS(=O)(=O)N2CCC(C#N)CC2)CCN(C(=O)OCc2ccccc2)C1 2054406996 AQAJUQRFJAMBMK-LJQANCHMSA-N 406.508 1.858 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2074667007 JBCMPNLDQIPBTK-QGZVFWFLSA-N 402.428 1.853 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(C#CCO)n1 2089698334 JSNJDHPJZABMEH-UHFFFAOYSA-N 413.455 1.244 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H](C(=O)O)C1CC1 2167064371 SWHKVDUHRPGDCU-OAHLLOKOSA-N 400.497 1.514 30 10 HDEE CN1CCO[C@@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3Br)C[C@H]21 2172773728 FYRDLJHGASYBPT-HUUCEWRRSA-N 424.148 1.663 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C 2174788085 ATLPUPJDWWJBOK-AREMUKBSSA-N 423.557 1.601 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1CO 2174788533 GFGRPFCUUPFGQP-XHSDSOJGSA-N 403.545 1.710 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)c1cnc(Br)c(Br)c1 2199860417 JDOYCBDXOQHMHD-ZDUSSCGKSA-N 406.074 1.996 30 10 HDEE CN(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243388208 HWIIGWQZKKTTJW-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2248055921 OPWSAHIEEVPFTA-UHFFFAOYSA-N 410.283 1.322 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCCS2)OC1(C)C 2267474099 OZTZOZOQDUBPRZ-LLVKDONJSA-N 404.388 1.757 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270507232 CEJCTAWUUNRDHB-SJLPKXTDSA-N 422.503 1.520 30 10 HDEE N#Cc1cccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270522371 OEERVNUTRVFKMF-KRWDZBQOSA-N 417.443 1.357 30 10 HDEE C#CC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC(C)(C)C1 2272597067 UYYOUHGSKBWVTQ-MRXNPFEDSA-N 422.503 1.566 30 10 HDEE CO[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@H]1O 2281973828 CDTOYDMKHCKQAM-MVWJERBFSA-N 401.721 1.969 30 10 HDEE C[C@H]1CCN[C@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282303783 AUYOQIQIRJHSPY-JQWIXIFHSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCO[C@H](CCF)C3)s2)OC1(C)C 2282333906 UZJIRDHLJPXIJP-GFCCVEGCSA-N 405.322 1.796 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1N 2282339356 XPAANXVCOXATMQ-ZDUSSCGKSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H]2C[C@@H](N)C2)OC1(C)C 2282410709 XWHQJIZNGAOTJN-XBXGTLAGSA-N 400.375 1.594 30 10 HDEE C[C@@H]1CNC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492608 PNTZNFSWODQTGU-RISCZKNCSA-N 400.737 1.525 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](CO)C3)c(Cl)c2)OC1(C)C 2282499953 GYOYXJRMPRFXAN-GFCCVEGCSA-N 401.721 1.642 30 10 HDEE CC1([C@H]2CCCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OCCO1 2282514626 GHWVSHMNTDVGGW-OAHLLOKOSA-N 403.288 1.534 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCCC23OCCO3)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282548055 VVJIUZJQKCFVOC-CQSZACIVSA-N 405.304 1.443 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@@H]1O 2282595471 URFBHNIBEIGWDH-JJPWZELDSA-N 400.246 1.217 30 10 HDEE CC(=O)NCCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282827630 BBZIBVNPMFPUCY-UHFFFAOYSA-N 422.765 1.505 30 10 HDEE CC[S@](C)(=O)=NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848460 NRQCCJHLKGVVQF-VWLOTQADSA-N 422.403 1.443 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@H](CO)CC2)OC1(C)C 2282866146 FAVOVTBMVCNGHT-JOCQHMNTSA-N 401.359 1.877 30 10 HDEE C[C@H]1CN(C)[C@H](C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866567 LUQLNHSKVQJUJE-OLZOCXBDSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2cc(Cl)c(C(=O)NC3CS(=O)(=O)C3)cc2F)OC1(C)C 2282976884 AOAKTXIRJWKWGW-UHFFFAOYSA-N 403.668 1.305 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@H]1C(=O)O 2284406047 SVIGXFWUDRIXEN-GARJFASQSA-N 401.315 1.435 30 10 HDEE CC(C)(/C=C/C(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284407811 PHFVMVXUEKHZAJ-MDZDMXLPSA-N 401.315 1.745 30 10 HDEE CC[C@H](CCC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284409256 GZIYNIMUUANKES-LLVKDONJSA-N 403.331 1.969 30 10 HDEE CC(C)(C#C[C@@H](N)C1(O)CCN(C(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2317383262 HOZVBEORHZOHCT-QGZVFWFLSA-N 408.520 1.304 30 10 HDEE CC1(C)OB(c2cnsc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c1cc(S(=O)(=O)N(C)[C@H](C)CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2379823865 WPVSRULCTZPQAO-CYBMUJFWSA-N 402.391 1.926 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CNC(=O)OC(C)(C)C)OC 2380178215 ACMASCSCLCNVFR-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N=C2NCN(c3ccc(Cl)cc3)CN2)cc1 2475549 NGNJXDKVJGVVGK-UHFFFAOYSA-N 407.883 1.958 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccccc2OCC)n1 22628975 GKZCTQXADGYSAD-UHFFFAOYSA-N 402.476 1.744 30 10 HDEE COCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Cl)c(C#N)c1 55978342 IXOOUGMSNIOJDG-CYBMUJFWSA-N 406.913 1.426 30 10 HDEE NS(=O)(=O)c1ccc(CN/C(=N\c2ccccc2)S[C@H]2CC(=O)NC2=O)cc1 59489534 RWFGFDVKNVHVAW-HNNXBMFYSA-N 418.500 1.260 30 10 HDEE C=CCn1c(SCC(=O)N2CCCN(Cc3nnc(C)o3)CC2)nnc1C1CC1 59911775 DPXFFHGAKQBEPU-UHFFFAOYSA-N 417.539 1.860 30 10 HDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccc(C)cc3)n2N)cn1 59914156 NCBPEWOQCLOFKO-AWQFTUOYSA-N 414.495 1.564 30 10 HDEE COC(=O)CN1C(=O)C(=NNc2nnc3c(n2)[nH]c2ccccc23)c2ccccc21 252633163 WATTXWJWVSGFDH-UHFFFAOYSA-N 401.386 1.842 30 10 HDEE CCOC(=O)CCS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 404989734 SJYKOIHCULTSHF-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 410136069 UFXDIHZCBDUUNU-OAHLLOKOSA-N 416.494 1.626 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 428053984 ADZDGIPIUGEJRH-UHFFFAOYSA-N 421.519 1.473 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(C2CCCC2)c1C 434799847 XCHFPOYCLMLYDQ-OAQYLSRUSA-N 412.494 1.704 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2(c3cccc(C#N)c3)CC2)CC1 435002401 CUFKWPAZKYWDAZ-UHFFFAOYSA-N 424.526 1.847 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435518666 JVOVKERSWRNPNE-HOCLYGCPSA-N 405.462 1.694 30 10 HDEE C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440304458 GTXDEGJYKFGNHN-OAHLLOKOSA-N 418.457 1.932 30 10 HDEE COc1ccc(CN2CCN(S(=O)(=O)CC3(C#N)CC3)CC2)c(OC)c1OC 463347921 DJLDJUQNCNANRS-UHFFFAOYSA-N 409.508 1.464 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc(C)c(C#N)n3)CC2)c1 468705810 LDXXXGMPPDMBSY-UHFFFAOYSA-N 402.476 1.790 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)CC3(C#N)CCCCC3)CC2)CC1 475817158 HULAVUNKAFCUNX-UHFFFAOYSA-N 410.584 1.666 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2cnn(C)c2n1 479512930 SHAHZNUBJNSTRJ-UHFFFAOYSA-N 424.486 1.295 30 10 HDEE COc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1OC 481528641 MSVQIBVNGFJLNZ-LBPRGKRZSA-N 419.459 1.890 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccccc2Br)CC1 487285822 JSESPMRSTDMRTD-CQSZACIVSA-N 410.312 1.663 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 488266391 PNARWRFDFRIDEI-GBESFXJTSA-N 409.490 1.359 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1C#N 489211524 WLHARWBEEWVDDX-UHFFFAOYSA-N 405.524 1.017 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(Br)cc1)c1ncnc2[nH]cnc12 499394304 SRHDMPQUFCBNJJ-GFCCVEGCSA-N 400.240 1.933 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H](C)C(=O)NC2(C#N)CCCCC2)CC1 507730094 CRZYBRFNHBRYDS-ROUUACIJSA-N 403.571 1.782 30 10 HDEE COc1c(C)cc(C)cc1S(=O)(=O)Nc1c(C#N)c(CCCNC(C)=O)nn1C 509258145 XEABZPFCSWDKPV-UHFFFAOYSA-N 419.507 1.787 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C[C@@H](C)C#N)C1CC1 513667980 XXMAYACQABPMSZ-AWEZNQCLSA-N 422.507 1.872 30 10 HDEE CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 516372407 FEYLVGNLGCOLBT-UHFFFAOYSA-N 411.527 1.681 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCCc1nnc2ccccn12 544161424 LYFJYOHZOLJUOT-UHFFFAOYSA-N 422.445 1.314 30 10 HDEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cnn1CCO[C@@H]1CCCCO1 545490348 AMRZYYDORMFBAN-OAQYLSRUSA-N 424.505 1.964 30 10 HDEE CN1C[C@@H](Nc2cc(N[C@@H]3CCC(=O)N(C)C3)c(C#N)cc2[N+](=O)[O-])CCC1=O 553080685 VVJBCOTZHUKGKN-KGLIPLIRSA-N 400.439 1.532 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2nocc2C(=O)OC)c1 554699461 DZPRLURFYSQIII-UHFFFAOYSA-N 407.448 1.591 30 10 HDEE N#Cc1c(NC(=O)c2cc3c(cc2Br)NC(=O)CO3)n[nH]c1C1CC1 557932235 PSIMEJIHXRJHNM-UHFFFAOYSA-N 402.208 2.504 30 10 HDEE N#Cc1ncn(CCNS(=O)(=O)c2cc(Br)cc3cccnc23)n1 564091134 DMFLGQVEDHYVPJ-UHFFFAOYSA-N 407.253 1.439 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC2)c1C#N 575370818 NKOOFAQSLDCWPG-UHFFFAOYSA-N 405.480 1.986 30 10 HDEE CCn1c(CC(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 576005558 YPGDOSIOSBCAHC-UHFFFAOYSA-N 402.524 1.879 30 10 HDEE Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccc(C#N)cc3)nc(C)n2)n1 585423031 HZRCTZMSHYFWSZ-UHFFFAOYSA-N 411.491 1.850 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccccc2)N2CCOCC2)c(F)c1 585722134 RZPSLUUWIXNIHU-HXUWFJFHSA-N 410.449 1.503 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NCCCC)nc1C 586302027 HDWUVASEPARDJH-SANMLTNESA-N 401.510 1.398 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)c1 589212485 KHOURZYOKMCPLD-UHFFFAOYSA-N 411.549 1.633 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(C)c2)c(=O)n1Cc1ccccc1 609219858 FYIMLRSTEFSYBR-UHFFFAOYSA-N 407.470 1.655 30 10 HDEE COc1ccc(CN2CCN(C(=O)Nc3nn(C)cc3C#N)CC2)c(OC)c1OC 610563921 MUVZRQLDLPTQNE-UHFFFAOYSA-N 414.466 1.667 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138987 PASFYMYXZIPTCM-HNNXBMFYSA-N 414.478 1.611 30 10 HDEE O=C(COc1ccccc1OCC(F)(F)F)NCCN/C(O)=C1/N=CC=CC1=O 732153341 HDGCOEZIDCMDKK-MSUUIHNZSA-N 413.352 1.649 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2ccc(Cl)cn2)CC1 732465102 CHWREDVALJZYPX-WUKNDPDISA-N 404.858 1.093 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1[N+](=O)[O-] 732647895 MISROZNHMVQZST-IEBWSBKVSA-N 411.462 1.707 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 732649792 SCNMIHUOKFBZKS-HZPDHXFCSA-N 408.549 1.408 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H](O)C(F)(F)F 736217115 WZRGPMKTEFDHCS-AWEZNQCLSA-N 421.441 1.715 30 10 HDEE C[C@H](CC(=O)N1CC[C@@](O)(C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 743495249 UDVNEKJAFYAFKW-BMIGLBTASA-N 405.398 1.029 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 743727470 BWNVNNANBKVUQM-ZDUSSCGKSA-N 417.556 1.972 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 746247737 OGRDTMZWYRMUAQ-PXKHIBQASA-N 418.444 1.962 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 746327339 GKCMMXYBDPPUTO-HPTVWMCCSA-N 408.458 1.176 30 10 HDEE C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 760961210 DQQVICGGNPOMMI-JLTOFOAXSA-N 407.536 1.809 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4cccc(C#N)n4)CC3)c(=O)[nH]c21 761036538 ITTNEURPXLJEKK-SREVYHEPSA-N 417.473 1.934 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNC(=O)OC(C)(C)C 765416357 HAXAFZMOHAVJLE-ZDUSSCGKSA-N 410.496 1.256 30 10 HDEE O=C1N=C(NN=Cc2cc(Br)ccc2OCc2ccccc2)NC1=O 765595154 GMURWDJUDQROKA-UHFFFAOYSA-N 401.220 1.964 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C)c1cc[nH]n1 772343399 OXNZWEHTWNEQGC-QUJCMNEKSA-N 400.435 1.763 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N(CC)CC)cc1)[C@@H]1CCS(=O)(=O)C1 774161562 GGKXGQBEPNWIQO-GOSISDBHSA-N 405.520 1.501 30 10 HDEE C#CCN(C(=O)NCc1cccc(COCCOCC)c1)[C@@H]1CCS(=O)(=O)C1 774164936 CIWJGNWQVQYNRA-LJQANCHMSA-N 408.520 1.572 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@H](C#N)c3ccccc3)cc2)CCN1CCO 778940400 DLBNUEMBTLHKGM-LAUBAEHRSA-N 406.486 1.806 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)CCCC1 779318230 NNKWQKPDHLPKTL-UHFFFAOYSA-N 412.269 1.635 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 780208932 GBEGIXPYADHPEL-FQEVSTJZSA-N 415.490 1.286 30 10 HDEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 781395504 YNSZFXZZGUTBSL-ZDUSSCGKSA-N 413.455 1.808 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC([C@H]3CCOC3)C2)cc1 791781481 GHYPINWNXYEOGK-DLFJBECYSA-N 406.508 2.000 30 10 HDEE COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 798418999 VTRZJRZVHDFFIX-QMMMGPOBSA-N 403.342 1.652 30 10 HDEE C[C@H]1COCC[C@@H]1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809123729 JEQCZJKMTZGBNV-WPRPVWTQSA-N 405.245 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCOCC 812196902 DUEKFERPDKQYJH-UHFFFAOYSA-N 400.504 1.848 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1C#N)C(=O)OCc1ccccc1 814285219 PWBPFKJFYWSHBP-SJCJKPOMSA-N 408.863 1.983 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCOCC2)C1 816299265 BLCGDGJWAPTHNL-MRXNPFEDSA-N 405.520 1.923 30 10 HDEE CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)ccc1Cl 916179640 JWXLXLPSBSZCFF-UHFFFAOYSA-N 412.876 1.875 30 10 HDEE CCCCc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916914910 YLCKOARKLANSSA-INIZCTEOSA-N 406.446 1.820 30 10 HDEE CCSc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)s1 1084658129 VYAYCAYNGNNXKZ-UHFFFAOYSA-N 424.541 1.679 30 10 HDEE Cc1cc(C(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)nc2c1c(=O)n(C)c(=O)n2C 1134924222 OUSGMSKYMREMCA-NSHDSACASA-N 418.457 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](O)[C@H](CO)C1 1142378723 LNUSGEOVEHJJBM-YTQUADARSA-N 415.490 1.594 30 10 HDEE Cc1ccc(CN2CCO[C@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)C2)cc1 1152007179 JBJFZDLYZYIYTO-OAQYLSRUSA-N 406.486 1.614 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3OCc3cscn3)C[C@H]1CS(=O)(=O)C2 1157883849 AYPFRICPBDYRBB-SCLBCKFNSA-N 403.485 1.732 30 10 HDEE CCn1ccnc1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1159751884 AVVLZBVFWWYLGD-HNNXBMFYSA-N 403.508 1.673 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCn2cncc21 1168293000 KKWWLFRHRXOSSM-OAHLLOKOSA-N 401.492 1.743 30 10 HDEE Cc1cc(CN(C[C@@H](O)CC2(C#N)CCOCC2)C2CC2)cc(S(N)(=O)=O)c1C 1171718722 KBDLCRGIQVEFLK-IBGZPJMESA-N 421.563 1.987 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC(n3nncc3I)CC2)CCC1 1174565702 RTFAOVQMLRWTMI-CYBMUJFWSA-N 415.279 1.964 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)cc1 1175968537 CQNGEFQHGXTZDQ-UHFFFAOYSA-N 414.487 1.611 30 10 HDEE CN(C(=O)CNc1ccc(C#N)cn1)C1(CNC(=O)OC(C)(C)C)CCOCC1 1179352135 LLYJFFDSTGBQKP-UHFFFAOYSA-N 403.483 1.897 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1F 1185675000 LPLBIONBPQYOCK-NSHDSACASA-N 423.871 1.077 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1[C@H](C)c1ccccc1 1189746026 VRIIIFCUADISKX-MRXNPFEDSA-N 420.469 1.785 30 10 HDEE N#C[C@]12CN([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@H]1CS(=O)(=O)C2 1198336276 FYRMNYLJEJRRAO-POZUXBRTSA-N 409.458 1.326 30 10 HDEE C#CCCCS(=O)(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1212054935 UGVAMNDKMHVXNT-UHFFFAOYSA-N 418.562 1.211 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1229032115 QCISHAYRYWUPNC-LSDHHAIUSA-N 401.529 1.512 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)nn1 1230271280 DCRQJTVIGUDGAJ-UHFFFAOYSA-N 407.478 1.542 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248376232 UNYBAYOFZFWXKE-PMACEKPBSA-N 419.485 1.316 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1251559351 FUKAWPWSZQSDDP-UHFFFAOYSA-N 415.538 1.779 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(C)CCC3(CC2)OCCO3)n1 1256047571 MIWYTQKQAPXFOR-UHFFFAOYSA-N 404.511 1.998 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1286348778 NZURCASEJOIGEQ-UHFFFAOYSA-N 405.462 1.025 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Cl)n1CCN1CCN(C(C)=O)CC1 1286371286 KSROBYDXIQJRNB-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394952 QHZZEHDKRSPQMM-DLBZAZTESA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(OC)CCOC1 1286400729 KEAQPMOJRJJTPF-LEWJYISDSA-N 402.495 1.197 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCc1noc(CC)n1 1286418899 KCMCCNZEMJDTJO-UHFFFAOYSA-N 418.461 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)C(C)(C)C 1286431915 SRTPSMKXCNZFAX-KRWDZBQOSA-N 406.552 1.848 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CCO[C@H]2C2CC2)CC1 1286470918 FNVJSTVVAYMTQQ-AVRDEDQJSA-N 414.554 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCN(C(C)C)CC2)CC1 1286485117 DIJQWXDVVYTYRM-LJQANCHMSA-N 416.570 1.120 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286600244 KQLRPDFEFBSFGX-INIZCTEOSA-N 418.542 1.312 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286689836 DNPNQRCCCIBGEI-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCOCC2(CCC2)C1 1286818930 TWFSEBLQEZEISD-UHFFFAOYSA-N 405.524 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286821432 KXAKZJAZLJJOQK-LPHOPBHVSA-N 412.556 1.462 30 10 HDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286830277 QMYBEGUFXCEYPO-INIZCTEOSA-N 412.519 1.011 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1cccc(Cl)c1 1289436894 QHRKRLWQRJNIRL-GCVCFTOTSA-N 421.906 1.256 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1289436999 MKUNHFLCMZBLMK-KDOFPFPSSA-N 401.529 1.469 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCS(C)(=O)=O 1291980672 JMJQPMHFYCSSEL-KRWDZBQOSA-N 421.519 1.943 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C(F)(F)c2ccccc2C#N)C1 1292496504 KYNLDTINQDMAGH-OAHLLOKOSA-N 407.417 1.910 30 10 HDEE COC[C@@](C)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1294989169 MOWSEABHHBJJMN-YDQHMYHOSA-N 409.483 1.468 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1297706350 RXTVDAPJQLDGSH-HNNXBMFYSA-N 422.503 1.650 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H](CO)CN2CCCC2)nnc1-c1ccco1 1298752199 SKDVPWUSPAZNEN-HNNXBMFYSA-N 405.524 1.779 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300382333 QOBLAVUIAABLOD-SFHVURJKSA-N 411.510 1.722 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@@H](C(F)F)N1CCOCC1 1300471527 FLABARHFVWIXKR-KRWDZBQOSA-N 421.496 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H]1CO 1300800860 ASWHCRCJYCTVCG-KGVIQGDOSA-N 414.554 1.458 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)NC(C)C)CC1 1301087706 QXJYAENTSPRTMQ-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301438308 BXZJDOXWNRSYPU-FGZHOGPDSA-N 424.505 1.321 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2ccc(F)cc2)C1 1301500559 NLXHJHLPLVWAND-SJLPKXTDSA-N 415.469 1.801 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@](C)(CC)C1 1301510056 RVKZMELMSDDSEE-FQEVSTJZSA-N 401.515 1.447 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CSCCS1 1301806476 ICYUUECCHNCWPA-OAHLLOKOSA-N 407.569 1.894 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1303202912 LTURSKMZZDAZCE-HNNXBMFYSA-N 409.336 1.478 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1303635236 CGDZQYFFKHUZAN-UXLLHSPISA-N 411.514 1.370 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1)[C@H]1CCOC1 1314684000 ZFSLAFZEWXETNX-KRWDZBQOSA-N 406.446 1.951 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCc2cnccn2)C1=O 1314921908 ZIBQISJLUSZIBZ-QFIPXVFZSA-N 416.489 1.764 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCO2)CCN1C1CC1 1348740045 BJWOZQKVZQGKCM-MSOLQXFVSA-N 413.526 1.260 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2coc(C#N)c2)CC1 1355012716 APDKZIVURWTGGW-UHFFFAOYSA-N 421.431 1.294 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)Cc2ccccc2C1 1358937903 KVYGCQAHKGLBCP-OAHLLOKOSA-N 401.536 1.763 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CC=CCO1 1358972132 UZQWLTZHLCGLDL-GOSISDBHSA-N 410.499 1.767 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCn1c(O)nc2ccccc21 1358990916 HLMZVLCWPYYOMD-UHFFFAOYSA-N 414.473 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCOC[C@H]2C)CC1 1359045682 PZOQLCDSWWMMBV-GOSISDBHSA-N 416.570 1.163 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359148103 DPKRCPPNHGXCBY-CQSZACIVSA-N 418.889 1.198 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359152630 CSKBYKFFUHKMPA-UHFFFAOYSA-N 403.918 1.227 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1359202704 AGIXJTCOGCRSFF-KRWDZBQOSA-N 423.583 1.985 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359207425 KIJVVPJFYBQUHB-SFHVURJKSA-N 402.543 1.639 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1 1359299213 YVQNQBNQODJKKV-AWEZNQCLSA-N 403.874 1.216 30 10 HDEE N#Cc1ccc(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c(F)c1 1447024942 APKUNXSJAJTYTD-UHFFFAOYSA-N 417.418 1.271 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1449691521 FUDMMKHCVUPWRX-IERDGZPVSA-N 417.462 1.476 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C 1450055360 KCXRWAHWZSNCMW-MJBXVCDLSA-N 424.523 1.643 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 1450467747 GCDINLHBOGFHPY-UHFFFAOYSA-N 413.434 1.352 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1454352502 DXJXLBGHJZPUPG-MRXNPFEDSA-N 402.472 1.639 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1456512313 UWXSJINUHJOYCB-CABCVRRESA-N 404.492 1.434 30 10 HDEE C=CC1(CC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1469410440 KQFPJEOPLCDSJP-LJQANCHMSA-N 414.524 1.216 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](Cc1ccccc1)c1ncon1 1469602944 OUOINJQZKAQZSF-HNNXBMFYSA-N 411.443 1.208 30 10 HDEE COc1cc(CNC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)ccc1C#N 1470081388 CNNYOUDYQVAKRE-UHFFFAOYSA-N 411.340 1.391 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1)C(C)C 1470397771 KDHKNYWTGCRXLK-QZTJIDSGSA-N 400.527 1.209 30 10 HDEE CCN1C[C@@H](CNC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)CC1=O 1470721168 WURMQMFKXLWCQK-MRXNPFEDSA-N 423.521 1.735 30 10 HDEE CN(C)c1ccc([S@](C)(=O)=NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1471016675 ADWVBHUPPZLFPD-MHZLTWQESA-N 420.516 1.586 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3F)CCO2)cc1 1472148943 NCCOPXQXLJDIBB-QGZVFWFLSA-N 403.435 1.576 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CC(N)=O)n(-c2ccc(F)cc2)c1C 1473557726 FUDJMUBQXXOUFS-KRWDZBQOSA-N 413.453 1.620 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1)C(=O)OC 1475378364 NEZNUAQUHPZUEQ-ZDUSSCGKSA-N 400.522 1.296 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1493172814 ZUIJTYGOOGOTQK-QAPCUYQASA-N 410.478 1.289 30 10 HDEE CCc1nc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)no1 1498331114 WRJBMPCVBYNFHP-CYBMUJFWSA-N 414.857 1.910 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1504599606 RSRGZUACXBYLQJ-HZPDHXFCSA-N 407.471 1.425 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1507592477 UMWUEPNBUNTQFW-CABCVRRESA-N 413.482 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOCC1(C)C 1507636808 KPYWQPGNEFJUQQ-UHFFFAOYSA-N 414.554 1.380 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507651416 AANUCHWLBCKGLM-QGZVFWFLSA-N 400.446 1.135 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCC[C@H]2C)CC1 1507728428 UCCOHOMDDXTDTJ-IIBYNOLFSA-N 414.579 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccccc2)N(C)C)CC1 1507731376 GYEXGMLCONWHAL-NHCUHLMSSA-N 408.550 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N(C)C2CC2)CC1 1507736800 SGGGZNIJJKPOLC-KRWDZBQOSA-N 421.549 1.789 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOC2CCOCC2)CC1 1507742998 UZQXBMAKVUNNFE-UHFFFAOYSA-N 403.527 1.392 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1507750702 CAAJEWSLGHEMOX-ZIAGYGMSSA-N 400.595 1.488 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1507967343 JNGAMUGYHRHKIH-MSOLQXFVSA-N 402.499 1.477 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1507980478 AWWIIKIHDDGGQW-UHFFFAOYSA-N 402.524 1.795 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1508058371 RDHIMRYCFUYOEI-QZTJIDSGSA-N 424.553 1.548 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2cn[nH]c2)C1 1508114122 JUPPARTXWSYEPV-YLJYHZDGSA-N 402.499 1.677 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1508168921 ZYCJVAODFOATMU-LJQANCHMSA-N 403.556 1.761 30 10 HDEE CC1=CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1511374106 IEEZWOALSHNGHG-IGGDJGDASA-N 412.494 1.855 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)CCCO1 1512418596 GMEMRLYXOMMOQY-RDJZCZTQSA-N 415.519 1.867 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1518767971 XMQKYOXMUCDOLG-KYJSFNMBSA-N 403.458 1.920 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1521879042 MRLCSSPYCBZHQS-UHFFFAOYSA-N 420.472 1.869 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cc3c(C)[nH]c4ccnn4c3=O)c2C#N)C1 1533469435 ACOPZIZVNPOGJN-UHFFFAOYSA-N 410.459 1.350 30 10 HDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)Nc1nc3n(c1C#N)CCOC3)C2=O 1537672951 WWQCEJMNOYVHRX-FKIZINRSSA-N 414.466 1.360 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1538220048 SSJYIYQBFSUTMI-TZMCWYRMSA-N 422.507 1.097 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(-n2cccn2)c1 1539024879 AKZPATAWRWYMAL-INIZCTEOSA-N 404.478 1.487 30 10 HDEE Cn1ncc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1Cl 1539048201 PNRGDNUVJVRKCR-UHFFFAOYSA-N 407.883 1.985 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1539340244 JNXPCVMDYJXLFI-JOCHJYFZSA-N 410.522 1.673 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1539399544 ONBBNRNQTJQKNG-UHFFFAOYSA-N 413.503 1.480 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1539744453 LYJATHYQCPKZMJ-KRWDZBQOSA-N 420.558 1.369 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3ccnc32)CC1 1539828404 JQBYUDCTVGSBRP-JKSUJKDBSA-N 419.555 1.819 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)CC1 1539888613 SLSLSAOPKFHEMZ-KRWDZBQOSA-N 400.527 1.938 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1539935402 LYIZOPKWHKEHPL-ZWKOTPCHSA-N 419.279 1.978 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)OC)CC1 1540873235 RRJNWITVICBKIX-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540876652 XONWBAQEOIDLOH-MGPUTAFESA-N 407.515 1.094 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@H]2C)C1 1540881976 YLJSUEPWELIRGU-QZTJIDSGSA-N 418.542 1.016 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)C1 1540895884 BAVCKJDHDAXPAP-HZPDHXFCSA-N 401.467 1.934 30 10 HDEE Cc1nnc(N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1CCOCCCO 1543308377 COPAAQXXDKPTHP-UHFFFAOYSA-N 421.505 1.732 30 10 HDEE C[C@@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1)NC(N)=O 1544855358 QPBGOYAUEFKJLJ-ACIHENLCSA-N 409.512 1.665 30 10 HDEE COC[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1555239872 AAMURKGGGUJGNA-KGLIPLIRSA-N 404.496 1.281 30 10 HDEE C#CCN(C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1)C1CSC1 1557439091 PCVSTBVRCQRIQX-UHFFFAOYSA-N 417.350 1.890 30 10 HDEE Cc1cccc(CN2CC[C@@H](NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)c1 1557760518 GBIMIEHPNGJVDK-QGZVFWFLSA-N 412.515 1.424 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1564772057 CQFVEYWPQWBSLN-BBWFWOEESA-N 420.514 1.993 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCO[C@H](C(=O)OC)C2)cc1OC 1565594477 DQFFNECMEVOHPD-SFHVURJKSA-N 408.451 1.625 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1 1565808926 YWMLMRKHZMYFDR-AWEZNQCLSA-N 409.483 1.354 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)N(C)C2=O 1565889230 FXTWZKWDHARJPA-CQSZACIVSA-N 408.499 1.779 30 10 HDEE C[C@H](CCS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1566389529 XRXFCGAOHPMMMW-XNDRKVBMSA-N 413.540 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C[C@H]1[C@@H]1CCCO1 1569675784 JKXWQSBOTLIAPX-FZKCQIBNSA-N 411.499 1.678 30 10 HDEE N#Cc1cc(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Br 1584021884 NPLPGCGYAXPYRA-GBOPCIDUSA-N 404.220 1.422 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@H]1C 1587599905 SPMCFCIPMJFRTC-GXZWQRSESA-N 400.479 1.960 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\Sc2cc(F)ccc2F)CC1 1588199719 WPYVCEXXELCMHC-WZUFQYTHSA-N 401.460 1.182 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccccc1F 1588645861 DNXJAZZDTIWGJN-INIZCTEOSA-N 415.469 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC[S@@](=O)CC)CC1 1588913163 AMQVUIQFRJBOOI-LJAQVGFWSA-N 416.551 1.018 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)C(C)(C)C 1589134785 PNIBGLBFKLQISL-LJQANCHMSA-N 409.556 1.622 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1594743850 BERUWFBAABRBFM-SJLPKXTDSA-N 424.505 1.843 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1594807488 QFLKQHVIQCFLEO-JKSUJKDBSA-N 400.487 1.255 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1)C1CC1 1595021021 QJKOJOWYBFACRS-TZMCWYRMSA-N 417.626 1.892 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1595551657 UEUNSPVJOYWQAL-UHFFFAOYSA-N 404.559 1.864 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(CCOC)[C@H](C)C1 1595569764 OGNDJZGBCNSHQG-QGZVFWFLSA-N 404.559 1.470 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(C)ccc1F 1595569979 SNEQHODEILLORN-UHFFFAOYSA-N 414.485 1.787 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC[C@H]2C)C1 1595738451 POBQZHWDPQMBSI-UYAOXDASSA-N 412.538 1.766 30 10 HDEE N#Cc1cc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Br 1595885357 MEGSZMNAFYAQRR-VDERGJSUSA-N 418.247 1.812 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3c(Br)cnn3C)cc2C1=O 1596639531 MSMNKOYSRVOGSL-UHFFFAOYSA-N 403.236 1.895 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1596695838 JAQBFXDPIQMDBE-MJGOQNOKSA-N 421.505 1.305 30 10 HDEE CC(C)n1cc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1611165295 NGEBTKYMWOWNCG-HZMBPMFUSA-N 401.286 1.237 30 10 HDEE CS(=O)(=O)CC1(NC(=O)c2ccc(OCc3ccccc3C#N)cc2)COC1 1617132455 HYOSNNSNCRVBSK-UHFFFAOYSA-N 400.456 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ncnn2CC(F)F)s1 1618706372 PNLSZBCSVUVYLR-UHFFFAOYSA-N 419.479 1.270 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCOC2)cc1 1620350494 KWSHZKDQABHMGF-MRXNPFEDSA-N 410.478 1.324 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)CCO1 1620354902 DPFKNZYWRIOVJP-IXDOHACOSA-N 423.539 1.258 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)CCNC(=O)OCc1ccccc1 1622325011 ICWDUDNHIBDMKV-UHFFFAOYSA-N 410.492 1.520 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1625668783 SFXFJFOVPSCSSP-HNNXBMFYSA-N 401.316 1.815 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cc3ccc(-n4cnnc4)cc3)C2=O)cc1 1626694579 DOMHJNZBGBIVNK-HXUWFJFHSA-N 400.442 1.599 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)C1 1627747561 ZGTWSZRNYXLBMG-OAHLLOKOSA-N 402.520 1.628 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1628590172 XACXYPGKMCGBNB-UHFFFAOYSA-N 414.531 1.960 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@@H](c3nn[nH]n3)C2)C1 1632408486 BTZNKBQWNQJRNN-LLVKDONJSA-N 416.283 1.676 30 10 HDEE C#CC[C@@]1(C(=O)NC2CCN([C@H]3CCOC3=O)CC2)CCCN1C(=O)OC(C)(C)C 1632439796 ZXZRSGZHKZAORI-JTSKRJEESA-N 419.522 1.676 30 10 HDEE COC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(Br)c1 1632565309 HNAKMVPWIPXIEV-CQSZACIVSA-N 421.251 1.477 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2F)c1 1632604813 VNUPYWPTJMBGEM-LJQANCHMSA-N 414.458 1.936 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@@H]2COCCN2CC(F)(F)F)C1 1633662198 HEUKWNATYRUUNG-XQQFMLRXSA-N 406.405 1.125 30 10 HDEE N#CCCNC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1634245907 HYKIRJSPDXHBAQ-IBGZPJMESA-N 406.442 1.799 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1635993028 GFFVVUNIGFYMCK-KRWDZBQOSA-N 408.543 1.210 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[C@@]2(C)NC(=O)NC2=O)c1 1636336379 LPMQFKJQWGOSFS-MGPUTAFESA-N 417.487 1.076 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1)C1CCOCC1 1637128567 PLULYHSHPJBILF-LJQANCHMSA-N 420.535 1.318 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)C1 1638242768 UVBQSQPWDDJCTE-MRXNPFEDSA-N 406.487 1.556 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)cn1 1640012898 PZOASZNYLGXOMB-UHFFFAOYSA-N 406.533 1.928 30 10 HDEE C=CCC[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1640868675 RKFRDJJVSYLJFK-LSDHHAIUSA-N 411.499 1.468 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(CCNS(C)(=O)=O)s1 1640915870 CAMGFIJHSJMWFL-INIZCTEOSA-N 407.517 1.517 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N=S(C)(C)=O)cc1)c1cc[nH]n1 1641711770 JDWZAKGQSDMGCK-UHFFFAOYSA-N 407.452 1.691 30 10 HDEE Cc1nc(S(=O)(=O)NCC(=O)N[C@@H](c2cccc(C#N)c2)C(F)(F)F)cn1C 1644215284 WQYLFVBUGRHPGA-HNNXBMFYSA-N 415.397 1.298 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OCC 1644563524 JFSYFYWUIWMKPA-CVEARBPZSA-N 402.447 1.825 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCn2cncc21 1647819759 KNWXZIYFAQMSDS-GJZGRUSLSA-N 401.492 1.742 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1 1650834203 YQVDRUBXTYROCB-MLGOLLRUSA-N 406.280 1.882 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)COc2ccccc2C#N)CC1 1652459725 KSLKCGMPLRUHDJ-FXAWDEMLSA-N 400.523 1.363 30 10 HDEE C#CCN(C(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C1CCN(C)CC1 1652512113 MTGYWWFQZGJRRP-UHFFFAOYSA-N 409.490 1.564 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1654075308 WDKZYPNEWGALHO-LLVKDONJSA-N 419.463 1.053 30 10 HDEE CN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)Cc1cc(C#N)cs1 1660373901 YXTPCLXWVTXDEW-UHFFFAOYSA-N 412.515 1.840 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OCC 1663976020 PEODJTPNFNSCJZ-HNNXBMFYSA-N 410.492 1.547 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1 1677128352 FTVYQZABPQQTAZ-UHFFFAOYSA-N 401.467 1.713 30 10 HDEE Cn1cc(CNC(=O)N2CCC(N3CC[C@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1 1680014061 MQIQJVULSNDLHH-FQEVSTJZSA-N 408.506 1.699 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](NC(=O)NCCn3cnc(C#N)n3)[C@H]1C2 1682196845 JEUJFMAYXFJRTI-RBSFLKMASA-N 403.487 1.627 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1682509628 WPTUBZKXVJTJHN-UHFFFAOYSA-N 408.483 1.644 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(O)(COCCO)CC1)c1ccc(Br)cc1 1683680467 CYIWDBGMDPTSDD-MRXNPFEDSA-N 411.296 1.669 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1 1687593735 XTERPAAETVHUQW-OAQYLSRUSA-N 423.561 1.391 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1689843527 XGAIFIKIZQLJFR-HNNXBMFYSA-N 400.508 1.602 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1689885525 LJPIGXYVSPDNKT-UHFFFAOYSA-N 403.512 1.010 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)NC(=O)OC(C)(C)C 1689978587 ZQVVZLRJBRNRPQ-PMPSAXMXSA-N 407.515 1.985 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1690507373 KQPYWMMZMVHFND-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1690727283 ZJJWWFJFTHYYKM-IAGOWNOFSA-N 401.536 1.957 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1691512440 DWFSPIVARKXZNI-QFIPXVFZSA-N 424.505 1.585 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1692938356 BPQGZOIDQZQNHP-IBGZPJMESA-N 408.491 1.727 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1696499686 NRTJPQDTXHZNJW-GOSISDBHSA-N 421.502 1.035 30 10 HDEE CN(C)c1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1696608618 SIGRENPJLWUXSX-LJQANCHMSA-N 406.494 1.716 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1697775498 LWQRYLZYAMRUJQ-QZTJIDSGSA-N 400.458 1.322 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1705490612 NPBIDTUJQCPEAC-CABCVRRESA-N 410.478 1.311 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705540879 QFHDQPZKODFAIV-INIZCTEOSA-N 411.510 1.154 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OC 1705580898 SIDJTJNOOXBTDP-UHFFFAOYSA-N 404.474 1.690 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnnn1C 1705623630 YMOUJLZSQRNWFT-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@H]1C 1705630267 MFPGDIILTFTXKN-VQIMIIECSA-N 400.527 1.898 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCn1cccn1 1705659545 ZTNZEWFZCMYAEL-UHFFFAOYSA-N 413.507 1.705 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)OC)CC1 1705740909 AHRVSMZNGFRGOI-IRXDYDNUSA-N 423.514 1.483 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1705898998 FKTYQASHAIMFTI-MJGOQNOKSA-N 410.522 1.404 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1705904716 VWPWYUDZZBAPFW-SFHVURJKSA-N 404.559 1.327 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1(=O)=O 1706749660 AEDJCIFEUOTVCL-NVXWUHKLSA-N 402.524 1.970 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCN(C)C)cc1 1707551778 QOPFRPMTLFTZQI-LJQANCHMSA-N 414.510 1.473 30 10 HDEE CN(CC(C)(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711058536 YPNXFLBGLODWIH-DCOQFNDQSA-N 402.499 1.791 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1712417981 OQCZXCFUKBUOIP-INIZCTEOSA-N 419.917 1.691 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1712578296 XYQRXIRQVFCNPL-DLBZAZTESA-N 421.498 1.071 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 1722330383 MITYAZGUEAWBNQ-UHFFFAOYSA-N 417.535 1.885 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1722343343 GPWFMVVFJIOLPP-NQIIRXRSSA-N 404.559 1.026 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1722355460 XDPZQPKACNGYRG-INIZCTEOSA-N 415.498 1.622 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H](C)C1 1722389869 NAGOBHUMGAJDDD-ULQDDVLXSA-N 407.540 1.166 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@H](F)COC)CC1 1722437445 MVKBRQCXABJNRI-VQIMIIECSA-N 415.469 1.530 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2C[C@H]2C)CC1 1722440731 HYWHOHIMITXKIS-NVXWUHKLSA-N 414.554 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2C[C@H]2C)CC1 1722449847 QZIIVVAMKDIGNE-BEFAXECRSA-N 409.538 1.762 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722458708 QVIWMHOVZXTQMA-QRWLVFNGSA-N 419.551 1.370 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1722522967 PJVKWYKCRQFGCK-VXGBXAGGSA-N 400.405 1.310 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1722685068 MSIBSTQGBVNGDK-HOTGVXAUSA-N 416.551 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(N)=O)C1 1722694313 RVGSJJPFOFRAND-HNNXBMFYSA-N 408.462 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722695277 YNXYHAOXXUTVEV-QGZVFWFLSA-N 408.506 1.742 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1722698494 ZYQNDWMUNHYJCP-UHFFFAOYSA-N 403.556 1.461 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CC(F)(F)C1 1722701997 IQNMWWIUBGDEMQ-UHFFFAOYSA-N 407.469 1.923 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C(C)C)C1 1722708707 BXMOWUPCWGCYII-KRWDZBQOSA-N 418.542 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccncc2)C1 1722710980 QZSHEUZFCJCSAM-NVXWUHKLSA-N 420.539 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722727417 LEKJBLRQNVBXSG-MRXNPFEDSA-N 422.555 1.531 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 1723555389 KATGJGDOWYXHIX-UHFFFAOYSA-N 407.478 1.325 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1Cc1ccc(C)n(C)c1=O 1726408955 BVICKBFBCMGZKF-UHFFFAOYSA-N 417.517 1.836 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729720996 DGICEBGCXLIIPM-MRXNPFEDSA-N 411.466 1.191 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1730498889 TYMNMUKOESRGQM-GDBMZVCRSA-N 416.457 1.380 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1739625863 DNPHCYMCZVXGPD-PNNDDZTBSA-N 400.519 1.822 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622775 IJSUWWWAHOSMAD-SYNHAJSKSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1740632949 YTLVVFYGVIPMGO-QFIPXVFZSA-N 413.522 1.437 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740791818 QTLYPGLSRSRSPW-SFHVURJKSA-N 413.526 1.486 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1741134424 AIGRMLICSBKELX-INIZCTEOSA-N 404.515 1.582 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1748802374 OPDUVLWCTUQCDG-NYUBLWNDSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(C)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1748805764 VSIZWRFHWKQCST-IUODEOHRSA-N 409.537 1.425 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@]1(O)CCN(C)C1 1748834401 MKCUFNCRBDUPPI-OAQYLSRUSA-N 413.909 1.747 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C(=O)NC 1749135885 JGYCQRXOVIUIKB-BXWFABGCSA-N 418.542 1.200 30 10 HDEE C=CCN(c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749521239 IJOSSMOTKBXSLB-FQEVSTJZSA-N 420.510 1.712 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC)[C@@H](C)C1 1749680486 LOPREZOZXSFSHX-SFHVURJKSA-N 412.538 1.998 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(F)(F)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681800 JSFGUPHANZCSMF-GOSISDBHSA-N 413.469 1.856 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1750344094 DVJDTQOODCJYCY-BURARIGASA-N 404.446 1.103 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1750646146 OROOIBFKCLLQNN-OAQYLSRUSA-N 408.510 1.473 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1752270311 CKAFNGXGCMLPLC-ONSXPEOJSA-N 412.519 1.395 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1C1CCCCC1 1760162736 FPACTPIGCNWQBO-AEFFLSMTSA-N 422.599 1.755 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccc(OC)cc1 1760175765 QUVXOHRDSMNWPF-QGZVFWFLSA-N 418.519 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760258890 DOUCUDKIDJLYLQ-CVEARBPZSA-N 416.551 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCOCCC(C)C)CC1 1760269426 IJNIXKPWPQZQND-IBGZPJMESA-N 417.554 1.811 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1760436201 LUUHDRNJDYSVCD-YLJYHZDGSA-N 424.553 1.690 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1760464783 PAEKILSTENTQSU-MRXNPFEDSA-N 415.519 1.137 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1760523100 MGFDLVFSYRNBHV-UHFFFAOYSA-N 423.525 1.402 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCC2)C1 1760545414 UEUKUGYVZDQFOV-RCCFBDPRSA-N 402.543 1.742 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1767088882 ZMXXTZFCPLOHOQ-UTKZUKDTSA-N 410.478 1.543 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1770326045 BIZCUTDGIIFJAW-GOSISDBHSA-N 406.487 1.997 30 10 HDEE COC[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1770768501 KAGJJDSDNBVLGU-XWSJACJDSA-N 424.505 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1772567002 DJGUPRCPMZFGDS-QWHCGFSZSA-N 403.405 1.589 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850744618 VBMGQNZDYTUJSI-ZDUSSCGKSA-N 401.891 1.313 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@H]2CCOC2)cc1 1851464917 BOMIBMCNXAYJCW-HKUYNNGSSA-N 400.456 1.780 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc3c(c2)OCO3)C1=O 1854131842 SOZFEAFLFCJAQZ-IAGOWNOFSA-N 413.474 1.655 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(OC(C)C)nc2)C1=O)[C@@H]1CCN(C)C1=O 1854166605 IDJVASHASBFUCM-SJORKVTESA-N 400.479 1.329 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@@H]1C 1854258953 QUWVEBOVLCPBEW-YOEHRIQHSA-N 409.483 1.224 30 10 HDEE CCn1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)n1 1854259121 VACCULSNMNSZOO-IBGZPJMESA-N 406.490 1.334 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCCC#N 1854308988 HVOVUILYBGIMPP-ZIAGYGMSSA-N 414.453 1.994 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1 1854740670 ZNASOLKSBNWTBH-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccnc4ncccc34)C(=O)C2)C1 1855047835 YXBQUSSLOOCFPG-IRXDYDNUSA-N 406.490 1.681 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734587 SKOIQQCYOYRQTJ-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4ccccn4)CC3)CC2=O)CC1=O 1855992769 PCDBXRXASMWSFV-RBUKOAKNSA-N 410.518 1.703 30 10 HDEE Cn1cc(C(=O)N2C[C@@H](C3CCN(Cc4ccc(C#N)cc4F)CC3)CC2=O)nn1 1856164444 FYLXFRLIBNVAQG-KRWDZBQOSA-N 410.453 1.727 30 10 HDEE Cc1cncnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856407427 DPSIROIXEYRODO-SFHVURJKSA-N 404.474 1.468 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@H](S(C)(=O)=O)C3)CCC2=O)cc1C#N 1856469606 FKKKPJSLFXXUQO-QAPCUYQASA-N 403.504 1.364 30 10 HDEE CCC[C@H](F)C(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857126528 ZZXMPZFZNROCQH-HKUYNNGSSA-N 420.529 1.974 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)CSc2ccccc2)C1=O 1857151627 XEVTVZRVWIWOPX-SFHVURJKSA-N 422.514 1.388 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)Cc3cccc(OC)n3)CCC2=O)CC1=O 1857368686 JJJVKPMMTNNDFI-SJORKVTESA-N 414.506 1.322 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 1858298493 QMIOUPIQJHFYJW-QGZVFWFLSA-N 416.437 1.575 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 1861315231 BTZYQJRDNHIBFT-FUHWJXTLSA-N 415.877 1.428 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccccc2[N+](=O)[O-])c1 1862557403 IQSYPVGYMJWVIC-SFHVURJKSA-N 424.413 1.891 30 10 HDEE Cc1ccc(O)c(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874337911 LIJVITGNLKLLHP-KLWSLPJISA-N 416.507 1.476 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1cccc(O)c1 1874435258 VRPFKAQOQXMATD-DNTJNYDQSA-N 405.480 1.793 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985096783 WPKFATSGCIPCHU-RGCMKSIDSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985102923 NUFKUODVXWINDP-ZDUSSCGKSA-N 411.308 1.306 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2054402134 ALKWDOUXWUWWFJ-ROUUACIJSA-N 406.508 1.810 30 10 HDEE CC(=O)Nc1nnc(S(=O)(=O)NC2CC(B3OC(C)(C)C(C)(C)O3)C2)s1 2163752161 WIBIIAFSHPBAPK-UHFFFAOYSA-N 402.307 1.400 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncc(C#N)cc2Cl)[C@H]2CS(=O)(=O)C[C@H]21 2174815420 SUBFGUGTKMEMIC-UONOGXRCSA-N 412.899 1.829 30 10 HDEE CO[C@@H]1CC[C@@H]1CS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2239412853 SFDZEMIQYCWMKI-IUODEOHRSA-N 401.359 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815378 ZPCWMHLVFOGYQR-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)Nc1cnn(Cc2ccccc2)c1 2247858701 PIQNYMJMQGJMBU-UHFFFAOYSA-N 408.271 1.611 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(N(C)Cc2ccccc2)C1 2255835878 YRBXBOJRPCNCET-UHFFFAOYSA-N 424.354 1.984 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(N)CCC3)cc2Cl)OC1(C)C 2267702514 HYCAWCPNNDNMNV-UHFFFAOYSA-N 406.766 1.860 30 10 HDEE C=CC[C@]1(CN)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2272076063 HTGCTXZHZPKBBW-OAQYLSRUSA-N 419.547 1.866 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277729176 XFPGPKOYSLYPNG-VIFPVBQESA-N 423.271 1.734 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N(CCS(C)(=O)=O)C2CC2)OC1(C)C 2282015810 OYTDMAYFXXJPCT-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(C4(N)CC4)C3)cc2Cl)OC1(C)C 2282317294 PBENRRLRZUKLKQ-UHFFFAOYSA-N 418.777 1.813 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H](C)C[S@](C)=O 2282326769 XPGIHYSEROLNPQ-NDHGSNPTSA-N 421.415 1.743 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(F)CCOCC3)s2)OC1(C)C 2282332264 YIZJZZDLIKRFRE-UHFFFAOYSA-N 405.322 1.844 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C 2282409913 SPUUWUKEEZNEMT-STQMWFEESA-N 400.375 1.808 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282419196 NPOVRQRKPRIQMA-VWLOTQADSA-N 406.310 1.388 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@@H]3CO)ccc2Cl)OC1(C)C 2282506249 POVJXTBSWSASOH-ABAIWWIYSA-N 401.721 1.688 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CN1 2282512679 VAGCQLCDQOKDRF-DGCLKSJQSA-N 400.737 1.668 30 10 HDEE CNC[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2282639156 WPLZXNWSDCZZAJ-NSHDSACASA-N 400.737 1.761 30 10 HDEE CC[C@]1(C)CC(=O)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839555 FUBJVJOGPJXRRH-MRXNPFEDSA-N 400.331 1.673 30 10 HDEE CSC[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282859579 OBYNNYBCXHIPIW-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(O)CCSC2)OC1(C)C 2282869343 BHKUEEZONZTHJR-INIZCTEOSA-N 419.399 1.335 30 10 HDEE CC[C@H](CSC)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870333 QHLKAEXINSUTKX-GFCCVEGCSA-N 403.379 1.448 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284416073 TZISMSPAQUCXKH-LLVKDONJSA-N 403.331 1.887 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2)CC1=O 2329013026 DSLMARHUZHAFQC-ZDUSSCGKSA-N 404.471 1.601 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)C(=O)C#CC(C)(C)S(C)(=O)=O 2339633470 FXNCFECMOONBMV-ZDUSSCGKSA-N 400.522 1.975 30 10 HDEE C=CCNC(=O)CN[C@@]1(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2348405898 LKBCZTDTZYIZFL-UTKZUKDTSA-N 403.479 1.769 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)C1 2358802803 CXWMQRDUZIFMET-XHIHJMKYSA-N 413.474 1.944 30 10 HDEE CNS(=O)(=O)[C@@H]1CCN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2364857474 CGVSEDIUTURRDH-GFCCVEGCSA-N 401.725 1.162 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](C)N1CC(NC(=O)OC(C)(C)C)C1 2365198245 YZZLSHFNZHHSTH-GDBMZVCRSA-N 401.573 1.389 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1 2365210838 LQTMUEZVANBECU-OWCLPIDISA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367784757 PXHQWPHSUQWSPX-CABCVRRESA-N 400.541 1.699 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 2367812327 RUKVOOGIYHOFOP-HZPDHXFCSA-N 402.557 1.553 30 10 HDEE CN[C@H](C#CC1(OC)CCCC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379894143 RWQHJHIZJGDMOR-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE C=CCN1C(=O)/C(=c2/sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21 12379078 GYQVVDBGGWKJBC-FBMGVBCBSA-N 414.446 1.629 30 10 HDEE C=CCOc1ccccc1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OCC(C)C 66229023 RQWZFLVUYKYTCO-KRWDZBQOSA-N 403.479 1.580 30 10 HDEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 97366124 LJVUJPGZESGXGP-LJQANCHMSA-N 420.452 1.520 30 10 HDEE CCCCCCCC(=O)NC(=S)N1CCNC(=O)[C@@H]1CC(=O)OCCOC 100172334 IEPSNZYNVGLCIM-AWEZNQCLSA-N 401.529 1.128 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)C1=O 410115793 MQOPRFHHHGCUOL-OALUTQOASA-N 421.563 1.933 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)cc1 428006969 RSXMPQBGGCNTJI-UHFFFAOYSA-N 417.443 1.475 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@]3(CCOC3)C2)CC1 469526269 ZDRLCUYLRNTIAR-TZIWHRDSSA-N 402.470 1.026 30 10 HDEE CC1(C)NC(=O)N(CC(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)C1=O 473583344 QHEAOHWPGOENMN-HNNXBMFYSA-N 403.870 1.379 30 10 HDEE COc1cnccc1N1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 478453247 CGATWGPFYDZMFC-UHFFFAOYSA-N 403.446 1.692 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cccc(N2CCOCC2)n1 482239673 FDRIFJRWAHILQY-UHFFFAOYSA-N 419.489 1.698 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1F 489838125 HKWJUBZTXFQXDZ-AWEZNQCLSA-N 409.464 1.439 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCN1CCN(c2ncccn2)CC1 505728970 HJVIAEPNFVRZPZ-NRFANRHFSA-N 416.526 1.367 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 508680433 SPLVAUXWCFVMFT-IBGZPJMESA-N 421.505 1.315 30 10 HDEE CCc1c(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cnc2c1c(=O)n(C)c(=O)n2C 513772650 BKHZIDWETKPNMK-HNNXBMFYSA-N 411.849 1.843 30 10 HDEE CN(C)C[C@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516516383 QSMQZQYJZBPCEE-SFHVURJKSA-N 400.504 1.126 30 10 HDEE CN(C)c1nc(O)cc(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)n1 525947470 ZRDNGPCARVVVHT-MRXNPFEDSA-N 400.870 1.924 30 10 HDEE N#Cc1ccnc(C(=O)NCC(=O)Nc2ccc(I)cc2)c1 560734603 JIUVLLNKZBGOLQ-UHFFFAOYSA-N 406.183 1.926 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)n1 571575919 JNLJEMFVWORBMJ-SFHVURJKSA-N 405.462 1.375 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@](C)(CC)C1 579688067 URWDXXYJVQFXJQ-YJBOKZPZSA-N 413.544 1.192 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 582233902 HPAQGTZPRKOIBA-LJQANCHMSA-N 423.521 1.427 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccnc2OC2CCCC2)CC1 604167953 BJGDBJLADPMRJN-UHFFFAOYSA-N 401.511 1.532 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 609594818 IDZKOATXVIYZML-KRWDZBQOSA-N 400.460 1.899 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3sccc3C#N)CC2)c1 609645706 NRHXVIIMLMIGDW-UHFFFAOYSA-N 403.485 1.621 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](NS(=O)(=O)c2ccc(C#N)s2)(C(=O)O)C1 711677609 DFJNXXSQSNASTR-INIZCTEOSA-N 415.493 1.752 30 10 HDEE C#CCN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1 729331279 LHVOFZPTAHOVLS-IGDKPHCXSA-N 421.563 1.293 30 10 HDEE Cc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 732650499 UCJXBQFIBBQMMU-IBGZPJMESA-N 416.547 1.982 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(S(N)(=O)=O)ccc1Cl)c1ccc(C#N)cc1 740207706 YTBGPJXTTFZCDQ-HNNXBMFYSA-N 408.819 1.930 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 751734467 TZAJEZBOFUPTQZ-UHFFFAOYSA-N 401.444 1.649 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)no2)c1 755949394 STPCWODFNWXCIT-CQSZACIVSA-N 400.439 1.813 30 10 HDEE CO[C@@H](C)CS(=O)(=O)NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 764217518 NXWASCCQXQMLOS-LBPRGKRZSA-N 422.463 1.504 30 10 HDEE C#CCN(C(=O)Nc1cccc(NS(=O)(=O)CCC)c1)[C@H]1CCS(=O)(=O)C1 774042084 GPWMJRGSKWUAPS-INIZCTEOSA-N 413.521 1.493 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O)[C@@H]1CCS(=O)(=O)C1 774208977 FDGNKOURUAELAA-UKRRQHHQSA-N 409.895 1.277 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 774261686 CKKCCFCEZMYCET-BMGDILEWSA-N 411.474 1.542 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 775238765 VRHOHVYQTLCUDA-SJORKVTESA-N 423.558 1.404 30 10 HDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 780205232 KGLPNVNXLCCRJG-VLIAUNLRSA-N 410.426 1.653 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CO)Cc2ccccc2C1 781098734 CPPWPEWSJHTILV-UHFFFAOYSA-N 413.499 1.151 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 783026951 YWFCIWUIBKHVJY-OWCLPIDISA-N 413.540 1.654 30 10 HDEE Cc1cccc(CNC(=O)[C@@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1 786545215 DYGNNFOLUBIDBL-KRWDZBQOSA-N 410.474 1.917 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NCCc1nc(C(=O)OCC)cs1 787906926 AFAOVOMJNMZDEQ-UHFFFAOYSA-N 419.434 1.768 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@]4(CNC(=O)C4)C3)nc12 788383851 NTBXWOODQFFEQQ-FQEVSTJZSA-N 410.503 1.536 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1=S 795650214 GFVQFOYKHPDXFN-HNNXBMFYSA-N 422.580 1.975 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)C1=NO[C@H](CNC(=O)OC(C)(C)C)C1 798934393 FRDXPZUARJDLPB-ZDUSSCGKSA-N 400.435 1.658 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(N)=O)cc1OCC(F)F)[C@H]1CCS(=O)(=O)C1 810304267 JDUGWQAGYVYFMR-LBPRGKRZSA-N 415.418 1.084 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812753949 HOFZQPKPWGLVKL-IBGZPJMESA-N 402.447 1.951 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CC1 816290949 YBZMTZLCORIBKX-UHFFFAOYSA-N 424.910 1.323 30 10 HDEE CCOC(=O)NC(=O)CSc1n[nH]c(NN=Cc2ccc(O)c(OCC)c2)n1 1084147752 MRMRSHPXRNAQMK-UHFFFAOYSA-N 408.440 1.720 30 10 HDEE C[C@H]1CN(/C(=N/[C@H]2CCCC[C@@H]2N)Nc2ccc(S(N)(=O)=O)cc2)C[C@@H](C)N1 1088685265 XGJYOIZSFPLIEW-DACLVMHWSA-N 408.572 1.054 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)N3CC(=O)Nc4ccc(C#N)cc43)CC2=O)cc1 1129604374 CVFNIFOZMZGPKW-HNNXBMFYSA-N 417.425 1.855 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C)C2)cn1C)C1CCOCC1 1131468611 HLVJOJDWKRRNAA-QAPCUYQASA-N 407.536 1.604 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2Cc2ccccc2)cc1 1131495610 JHIZXAHVGYLKDF-IBGZPJMESA-N 412.515 1.883 30 10 HDEE COC(=O)[C@H](Cc1cncs1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1133373080 YQKALUQLXUDJGD-CJNGLKHVSA-N 402.451 1.881 30 10 HDEE CCCN(CC)C(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134056152 LHCYAFMCQXJIPR-PXNSSMCTSA-N 403.504 1.569 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cncc2nc(C(F)(F)F)[nH]c12 1137537662 SQGKOZKPOHUZPX-SNVBAGLBSA-N 416.367 1.989 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)cc1OC 1140720294 WOKOJMNMQMGJDL-SIJIIQCFSA-N 409.508 1.447 30 10 HDEE N#Cc1c[nH]nc1NC(=O)c1cc(I)ccc1N1CCOCC1 1142808104 FBQYUWJVYMZUFK-UHFFFAOYSA-N 423.214 1.975 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 1147283407 IQVNXSKAHQCRQK-UHFFFAOYSA-N 409.939 1.906 30 10 HDEE N#Cc1cccc(ONC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 1151426249 WZLBEIIMEOCGMI-UHFFFAOYSA-N 407.473 1.293 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC 1151604359 LBNAIRNKCSAMEY-QGZVFWFLSA-N 418.490 1.993 30 10 HDEE Cn1nccc1[C@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1158229517 BUYSOIFLBQCJCO-FUHWJXTLSA-N 402.476 1.243 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)[C@H]1CCC(=O)N1Cc1ccc(Br)cc1 1159641227 HMIPNFUCYQWWFQ-UONOGXRCSA-N 410.268 1.437 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@H]21 1161286392 XQJSRJKWHCPDDV-XHSDSOJGSA-N 416.540 1.651 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(Cc4ccno4)CC3)CC2=O)cc1Cl 1175562512 RLRMJENKVZUDGY-OAHLLOKOSA-N 413.865 1.897 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C[C@H](O)COc2ccc(CC#N)cc2)cn1 1176167125 NITCUERATKOIFN-AZUAARDMSA-N 418.519 1.088 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1=O 1182823005 MOGJUDCSRVVJEG-IAGOWNOFSA-N 421.542 1.101 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1 1210363769 PMBNEAFBHCMVLZ-SJORKVTESA-N 419.503 1.918 30 10 HDEE N#C[C@@H]1CN(C(=O)Cn2ccc(Br)cc2=O)CCN1Cc1ccccc1 1265115265 FRMAAPGKHWWUQY-QGZVFWFLSA-N 415.291 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1286275499 SQSJLXIGNVCCRC-STQMWFEESA-N 408.528 1.680 30 10 HDEE C#CCCCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1286335555 QYUBICYYKHPENO-LAUBAEHRSA-N 403.527 1.837 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(F)c(F)c1 1286398513 KKURMPWBEHPTQI-UHFFFAOYSA-N 413.428 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sccc1C 1286419680 COLLOSWZVOISJF-MRXNPFEDSA-N 419.576 1.964 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCOCC)CC1 1286490564 YDIHQHFFLWMWOJ-UHFFFAOYSA-N 413.526 1.461 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)C1 1286799137 RSCAUMNQLMSTBS-QZTJIDSGSA-N 419.526 1.491 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1289054634 NKQFDLYCLZQEOR-UHFFFAOYSA-N 400.460 1.515 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NCCNc3ncccc3C#N)=NO2)C1 1292157612 NJCDTRIOMXCTNK-UHFFFAOYSA-N 400.439 1.247 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)n1 1297350573 SXDWTWVNCCAUQV-UHFFFAOYSA-N 409.446 1.443 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1297964011 HGQRNMNJQNZMEV-OAQYLSRUSA-N 409.494 1.387 30 10 HDEE C#CCN(C)CCCNC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1298676048 CQIWYZGIUWTVRJ-UHFFFAOYSA-N 415.538 1.824 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NOC2(C1)CN(C(=O)OC(C)(C)C)C2 1300399224 JWGSCXDVFATKFJ-QGZVFWFLSA-N 414.462 1.816 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccccc1)OC 1300505725 GUMKWGTUYBQRBR-HXUWFJFHSA-N 405.502 1.845 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CC1 1300559277 NFONIOOELOXNRK-LGGPFLRQSA-N 418.563 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1300579172 SDAKZQDNZZBVCI-UWJYYQICSA-N 418.563 1.584 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N(C)C 1300663970 MAPZZKBUBIZWHO-UHFFFAOYSA-N 423.477 1.158 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1300697700 HVTLZPKDZOPRNA-HBFSDRIKSA-N 414.554 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1300726389 OCJVBLCXVMRYRI-LJQANCHMSA-N 400.571 1.783 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1300768153 LQFXXXLNXIBRJJ-INIZCTEOSA-N 422.562 1.974 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1301017060 GJVFPOFHVGKAKR-VHSXEESVSA-N 417.841 1.408 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC(=O)N1CCOCC1 1301281321 LCHDSMZICGDHDX-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](COC)C1 1301510384 WKBVSBGMVIMUMA-QGZVFWFLSA-N 401.515 1.305 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CC[C@H]1C2 1301510473 YETNMLUWLKNPGZ-KBPBESRZSA-N 400.508 1.561 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 1301557215 QCAXYOMTHUBBJT-OAHLLOKOSA-N 406.437 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)c(O)c2)C1 1303453626 ZELNPIQTIYGFRB-OAHLLOKOSA-N 423.491 1.418 30 10 HDEE COC(=O)N[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1303507217 YCZSWVYFKIGISN-LTWWHTJUSA-N 406.483 1.730 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC[C@@H]3CC[C@H](C4OCCO4)O3)C2=O)cc1 1306824912 VZHZKHWVIUMQNA-GBESFXJTSA-N 413.474 1.871 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CCCN1S(C)(=O)=O)c1ccc(Br)cc1 1312300634 XAXSCFHJUAUNPX-CABCVRRESA-N 414.325 1.847 30 10 HDEE C#CCN(C)CCCNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1312311978 GBLWGTUNBOTMEJ-UHFFFAOYSA-N 421.441 1.613 30 10 HDEE CCN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1313763013 GLWPWHDUOGAKDR-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1nccn1C(F)F 1316099957 GCAVGLABNNXVST-UHFFFAOYSA-N 405.413 1.685 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2CC(=O)NCC2CC2)cc1 1316532928 AWNJDDHHZNQGET-UHFFFAOYSA-N 412.519 1.808 30 10 HDEE C=CCO[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1320899256 RQDADKDIAWGLJN-WMZOPIPTSA-N 423.535 1.311 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1358923678 WWQXTIMZRFQEBT-IBGZPJMESA-N 407.499 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1358958494 PKDCSXJUVOLHDI-INIZCTEOSA-N 418.519 1.778 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359041084 MWVSLBMUIYDIDW-HOTGVXAUSA-N 421.567 1.192 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1359179606 ZGCTZPQIDLYIQE-INIZCTEOSA-N 414.597 1.698 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359299617 JUTAPWHNBMVCCY-QZTJIDSGSA-N 402.543 1.539 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CCNS(=O)(=O)c2ccccc2)C1 1359321604 JHMQDVXCFCEPAC-INIZCTEOSA-N 405.524 1.600 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359328896 QWCJPPJICXOOSI-ZDUSSCGKSA-N 407.496 1.114 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1359333364 VOIAFGVOBWLRHR-SFHVURJKSA-N 424.615 1.046 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 1361015614 GSDBCDQKPCUYRT-UHFFFAOYSA-N 424.486 1.542 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2nn(C)c(C)c2C#N)C1=O 1437098768 FGSNNLMZAHQSKR-FQEVSTJZSA-N 410.434 1.323 30 10 HDEE C#CCN(CC(=O)Nc1ccc(CC(=O)N[C@@H](CC)CO)cc1)C(=O)OC(C)(C)C 1445889957 JYOQORFCSCQBJD-KRWDZBQOSA-N 417.506 1.925 30 10 HDEE CCN1CCC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1456067207 SXPQFFRQYYDSGA-HNNXBMFYSA-N 405.296 1.884 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1460523120 PIDDSMUOQQUZJR-GOSISDBHSA-N 419.547 1.620 30 10 HDEE CCOc1ccc2nc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)sc2c1 1460825836 CBRYCYMZRLHBPH-SGTLLEGYSA-N 420.516 1.504 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCC(c2ccc(C#N)cc2)CC1)S(C)(=O)=O 1460856387 GBBJWRJZRNCXBM-UHFFFAOYSA-N 420.579 1.914 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1461819164 ZSSVKTVGPYQGLF-NSHDSACASA-N 407.215 1.752 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N3CCCCC3)CC2)c1 1463923259 DWWMRXKTMLCZMH-UHFFFAOYSA-N 417.531 1.847 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OCC 1464259504 SUPMKLLOHCJTRC-GFCCVEGCSA-N 424.928 1.290 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)n1 1466384186 UXHDIJLOIRZVHA-ZBFHGGJFSA-N 409.837 1.766 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1468454447 VOJMKAULODRKSA-QGZVFWFLSA-N 419.459 1.606 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(=O)OC 1468875471 LLVDSMKBQKVYSF-CVEARBPZSA-N 403.504 1.619 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC(N4CCOC4=O)CC3)C2=O)cc1 1470032069 DGAQJMTUPPYLSC-SFHVURJKSA-N 411.462 1.285 30 10 HDEE N#CC1(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CCCCC1 1470829420 MQNZNZQIXSTYOU-UHFFFAOYSA-N 405.524 1.640 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2cc(C)ccc2C(C)C)CC1 1471450477 AQIAAVIEKZYGRM-UHFFFAOYSA-N 407.536 1.499 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)OC1(C)C 1471647831 JPEXNJDZPZNLAW-JKSUJKDBSA-N 402.304 1.501 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)c1 1472610636 IIPGIGYEPPOSRL-QGZVFWFLSA-N 411.487 1.243 30 10 HDEE C=CC[C@H](NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccncc1 1477933642 PJWJRYULYBGEND-IBGZPJMESA-N 413.522 1.844 30 10 HDEE C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)O2)CO1 1479361597 ODDSSDXHBJCMJV-IHSNIMORSA-N 400.483 1.295 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1503614379 GYBINQILVFSVJF-LJQANCHMSA-N 407.478 1.955 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCC2)c1 1507550934 SFSLLDHHEIMCQZ-QGZVFWFLSA-N 422.489 1.200 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1507603182 SNZUMJBBXACQKI-CQSZACIVSA-N 409.487 1.518 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCO1 1507605174 NKYSTUKHXRJWBC-HXUWFJFHSA-N 422.533 1.485 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC(F)(F)F)c1 1507613819 SFWGATWAPLBMBY-CYBMUJFWSA-N 408.384 1.683 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)CCCO2)[C@H]1CCS(=O)(=O)C1 1507626809 PHBZETIPTUREFI-SFHVURJKSA-N 400.504 1.587 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1507669486 MXOQBQSIUQDCOR-JKSUJKDBSA-N 424.617 1.492 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCOC(C)C)CC1 1507718098 BFTCAGVFKRLQSH-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[S@@](=O)CC)CC1 1507729322 ZONNUBALIBCOTG-MHZLTWQESA-N 406.581 1.158 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507804587 GYLSFEFBINYQPL-LMMKCTJWSA-N 423.583 1.730 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNS(=O)(=O)CC)C1 1508115470 AJCJOICNDAIGST-MRXNPFEDSA-N 420.539 1.369 30 10 HDEE CC(C)Cc1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509188373 YVXGSBZPPVNJDM-HNENSFHCSA-N 411.466 1.554 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C#N)CC1 1516836731 IOGFSMSPFQEVCX-MRXNPFEDSA-N 410.544 1.589 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1cc(C)on1 1522295031 RDGLQDLXCDYPGI-GJNTUIEKSA-N 403.479 1.729 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCOC4(CCOCC4)C3)CC2=O)cc1Cl 1535091927 CCGLJQHETLOZFZ-HNNXBMFYSA-N 403.866 1.973 30 10 HDEE C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538761091 QDRWLSJEFMACIU-OHUAYANFSA-N 413.839 1.412 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CCO1 1538844450 PKZUVSBPZGWREF-OAHLLOKOSA-N 401.535 1.240 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539429891 FSJWBGAWKAOCLK-ZWKOTPCHSA-N 402.543 1.042 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@](C)(O)CCOC)CC1 1539441450 PHZJAALXOBOXHH-NRFANRHFSA-N 401.486 1.627 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NCC)CC1 1539917854 GWCQMGAGRNBSRS-MRXNPFEDSA-N 417.558 1.090 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1540865877 VIPOHMGGRPBHRA-KGLIPLIRSA-N 409.512 1.407 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1540962145 IXGSVETYLODCQR-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 1545688530 BYUZAVRJDRVUBB-ZWOKBUDYSA-N 404.488 1.721 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1554434845 KQGPXMHTSHXSOM-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE CN(C)Cc1csc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1556934056 UXCWXFVXQBOBFD-HNNXBMFYSA-N 412.475 1.920 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1557382457 PFYYVWDGKNOOBB-FUHWJXTLSA-N 421.538 1.639 30 10 HDEE C#C[C@@H](NC(=O)c1sc(-c2c(C)c(C)nn(C)c2=O)nc1C)C1CCOCC1 1557578058 KEXKXUTUALJHTC-OAHLLOKOSA-N 400.504 1.987 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1 1558072762 CFLUHLKPPHDZFS-UHFFFAOYSA-N 401.435 1.130 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)c2cnc(I)c(O)c2)C1 1558940051 CKWXQZDMUUNOHI-JTQLQIEISA-N 400.220 1.357 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@@H](CO)Cc1ccc(C)c(Br)c1 1561575482 FGAHKHFZFODJFS-HNNXBMFYSA-N 418.357 1.979 30 10 HDEE C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1561776500 ZMENTOGTFGISNI-SOUVJXGZSA-N 402.538 1.178 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCOCC1 1587620184 BASNCALVWHHPGI-HNNXBMFYSA-N 414.510 1.575 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccn(CC)c1=O 1587945515 LZKNAMLNUMLAFS-UHFFFAOYSA-N 415.461 1.220 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588078537 ILRPBLVOVKHGGU-JOCHJYFZSA-N 417.473 1.009 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc2c1OCCCO2 1588120308 KCKMVDHKFRHRNT-UHFFFAOYSA-N 402.458 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nncn1C 1588205438 LMEFUBKSMKGOPZ-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1588837394 SMAWIVRAZDLCLB-LJQANCHMSA-N 400.571 1.880 30 10 HDEE C#CCSCCn1c(N(C)CC(=O)NC(C)(C)C)nnc1[C@]1(OCC)CCOC1 1589125139 GRLKUTLTDXZIJN-FQEVSTJZSA-N 423.583 1.648 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593696319 NIPNXZSTSQKSDJ-HZPDHXFCSA-N 416.530 1.916 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615841860 HDSPXPFBLUTIOX-LVCYWYKZSA-N 419.549 1.988 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCOC[C@H]3C#N)ccc2NC1=O 1617304111 DGOSKBGKMRIAMI-NVXWUHKLSA-N 414.462 1.829 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2)C(=O)OC 1617949495 FHLDBIRCKMNWBN-NPPFBWRTSA-N 416.474 1.896 30 10 HDEE CN(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1618285254 YCDJSKHHJRKDQV-SFHVURJKSA-N 415.542 1.394 30 10 HDEE C#CCn1cc(CNC(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)cn1 1618800850 TYJFOLDXAGMDDI-SFHVURJKSA-N 412.446 1.381 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1618884817 PMUSUDQRHCQQBC-CRAIPNDOSA-N 407.430 1.818 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1619679896 HIVAICPHMHLSCF-AXHNFQJDSA-N 420.445 1.627 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)C1 1620345836 LKGICAVQCIAJJW-DNVCBOLYSA-N 406.462 1.152 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(Br)c2OC)CC1 1621495167 MJVFFKPVZASAMA-UHFFFAOYSA-N 402.314 1.043 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CCOCC1 1622581996 CWPULTCZTOGDFX-OAHLLOKOSA-N 402.513 1.114 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1OC 1623581000 RFCRRDZYEDTOGU-MVZUJROASA-N 415.446 1.060 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1623720638 AUSRDALPIYBIJN-INIZCTEOSA-N 412.508 1.978 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C#N)c1ccc(Br)cc1 1624137068 BTLNJTINVGVHDT-LBPRGKRZSA-N 409.265 1.946 30 10 HDEE COC(=O)[C@@H]1CN(C)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1626682548 YSNOHBCZHQHVRV-QGZVFWFLSA-N 416.327 1.471 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(CC(=O)N3CCOCC3)CCCC2)n1 1626713188 DPQGEZFTTSNLSE-UHFFFAOYSA-N 416.522 1.301 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC(=O)OC)cc1 1628958590 KCFDTNPKROWPGT-INIZCTEOSA-N 417.462 1.835 30 10 HDEE CC(C)[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1629410659 HSDDRVUKZGZVBX-LJQANCHMSA-N 409.490 1.580 30 10 HDEE C#CCN(C(=O)c1cccc(CNc2ncccc2C#N)c1)[C@@H]1CCS(=O)(=O)C1 1630829398 DTBGFPNPNAWNRK-LJQANCHMSA-N 408.483 1.828 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)C1 1631331021 PROFYJIMGGWODN-XXBNENTESA-N 417.469 1.964 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CCCN3CC(F)F)C2=O)cc1 1632967702 XNMVRPWMDIEQNH-JKSUJKDBSA-N 419.432 1.609 30 10 HDEE C#CCN(C(=O)[C@H]1OCCN(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 1633714333 SHIZDXAFJZVYFP-HOCLYGCPSA-N 407.264 1.592 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(N2C(=O)N[C@@](C)(C3CC3)C2=O)cc1 1635195699 AUQSCTPOMCTRKN-QFIPXVFZSA-N 411.506 1.666 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OCC 1635606004 AUMMVXRKLDSDKS-LBPRGKRZSA-N 423.853 1.755 30 10 HDEE COc1cc(C(=O)CCC(=O)N2CCN(C(=O)CC#N)CC2)cc(OC)c1OC 1635737510 PTOYIFIPKRATRU-UHFFFAOYSA-N 403.435 1.260 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CCNS(=O)(=O)c3cccnc3)cn2)cc1 1636093318 LREGVEDVANAQAZ-UHFFFAOYSA-N 410.459 1.505 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1638848526 UNLQGXLAKXYKTH-BTYIYWSLSA-N 413.499 1.527 30 10 HDEE CCOCc1ccc(CNC(=O)Cn2cc(CN3CCOCC3)cc(C#N)c2=O)cc1 1641148182 CWFVOODYRBHFCL-UHFFFAOYSA-N 424.501 1.405 30 10 HDEE CS(=O)(=O)c1ccccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1642871977 AMFXRNWORLRQNG-UHFFFAOYSA-N 410.448 1.456 30 10 HDEE COC(=O)CCN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)OC(C)(C)C 1648151619 HOWYKUSZOWDUFI-UHFFFAOYSA-N 410.492 1.539 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1nccnc1C(=O)Nc1ccc(Cl)cc1 1649011570 MQOORKLBCZSHGE-UHFFFAOYSA-N 401.810 1.911 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccccc3C#N)CC2)CC1 1653282612 KGEKZCSWNGJOGC-WRSRUZKNSA-N 415.534 1.916 30 10 HDEE COC(=O)[C@@H]1COCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1654416317 IAZUIHTXHCUSFT-NSHDSACASA-N 407.217 1.022 30 10 HDEE Cn1c(N[C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)c(C#N)c(=O)n(C)c1=O 1655487528 KJNPZYKCGWSGGU-LBPRGKRZSA-N 412.400 1.524 30 10 HDEE Cc1sc(NC(=O)CN2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)c(C#N)c1C 1660165312 FTPVXXALJLHAGW-INIZCTEOSA-N 421.548 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCC(C)(C)S(C)(=O)=O)C1 1671494663 CPUSSLDYQWRUST-STQMWFEESA-N 402.517 1.258 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)[C@H](C#N)C1 1671494787 FRCQFUGWXXUILH-BZUAXINKSA-N 401.467 1.661 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)F)ccc2Cl)CC1 1677324536 DDCXJGYGUMTYKL-UHFFFAOYSA-N 406.842 1.895 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 1679241053 GTQFAXJBRJLZRC-IEBWSBKVSA-N 414.506 1.764 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3ccccc3CCC[C@@H]2C)CC1 1681375692 ISQADPQZVJXJPS-LPHOPBHVSA-N 404.536 1.495 30 10 HDEE NC(=O)C1CCN(Cc2ccc(CNC(=O)NCC#C[C@@H]3CCCCO3)cc2)CC1 1683349988 IFBUMIMHIFSDEL-NRFANRHFSA-N 412.534 1.756 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1687205659 CUIZJLLTRQEXPB-GOSISDBHSA-N 402.495 1.389 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnnn1C 1690039437 FRJPKCQCUJGSDX-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1690246218 SOBNLHQTOFQTHX-TVFCKZIOSA-N 403.527 1.726 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690661293 YVKANNOIJAVWJY-VGOFRKELSA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1690671577 ZCBWBASSNQKRHN-DLBZAZTESA-N 419.526 1.106 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1690731690 PTHCEWGRJGANIY-AWEZNQCLSA-N 418.585 1.190 30 10 HDEE CCS(=O)(=O)NCCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(C#N)cc1 1696499624 DYDMYLJNJRIKFZ-UHFFFAOYSA-N 414.495 1.623 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696588753 LSKULBHJALNOTQ-KRWDZBQOSA-N 424.465 1.118 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1697788173 XHHAUCAWYJUHAM-JKSUJKDBSA-N 417.441 1.713 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1705492416 QFESNIYPKAMCJC-OKZBNKHCSA-N 407.584 1.759 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1 1705533795 ZXLWPFUQEYISPQ-SJORKVTESA-N 410.540 1.083 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705553488 YRDZUVHFWOZJFQ-RTWAWAEBSA-N 409.534 1.856 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1705563840 GQWUEROHMFWNLE-HOTGVXAUSA-N 403.508 1.249 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1705626712 GMVJTYPDGYUSER-KRWDZBQOSA-N 424.509 1.165 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)O)CC1 1705635213 TZOXBMPPCYGADX-UHFFFAOYSA-N 421.343 1.572 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1705787417 RVNOJRHPWAEPLM-UHFFFAOYSA-N 412.560 1.102 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H]1CCC(=O)N1 1705909354 UUJQKYHMIUOXRV-NWDGAFQWSA-N 406.397 1.052 30 10 HDEE CC1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1706946071 NUDNDTRZSYWOCD-QFPXGYFVSA-N 414.510 1.935 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OCC(F)F 1710744523 GBNIMWZEQYXOPS-AWEZNQCLSA-N 408.409 1.631 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCCCS2(=O)=O)cn1 1711246301 FYLZTHADDLGTLH-QGZVFWFLSA-N 417.539 1.776 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(CCCO)CC2)o1 1712880566 CXKGJACGICUOSY-UHFFFAOYSA-N 412.494 1.902 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1722379740 MDGQUOQTBFUHCW-UHFFFAOYSA-N 417.296 1.414 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2Cc2cc(C)on2)CC1 1722440638 COLXLNLRSOTZJG-UHFFFAOYSA-N 422.489 1.966 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(N)=O)C1 1722456731 DQGJVCHJELQDQL-HNNXBMFYSA-N 413.503 1.742 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1722475400 URDXTQYIJPHEAP-OXJNMPFZSA-N 415.519 1.624 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722603192 QLJFCYGGJCPOKT-UHFFFAOYSA-N 407.544 1.507 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCn1cc(CO)nn1 1722642285 XIZSYUSCIBHSEU-UHFFFAOYSA-N 407.482 1.313 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1722672083 JSONTQXAPHUFNX-YWZLYKJASA-N 419.551 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCCC[C@H](C)C1 1722697186 JBJCBARQJJNYFY-AWEZNQCLSA-N 400.483 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CCC2)C1 1722726175 XVNIRTXAQABIBP-UHFFFAOYSA-N 407.540 1.495 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@@H](CC)C1 1722727094 IGNHDWTWDANNNH-AWEZNQCLSA-N 408.553 1.668 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC(=O)N(C)C[C@@H]1C 1722740909 VJFLASVERZJWBG-ZDUSSCGKSA-N 418.523 1.592 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1COCCO1 1723773266 PWPGHCSIYKQICQ-KBPBESRZSA-N 402.455 1.550 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730639380 XTCDIAPYXWIAKO-SQGPQFPESA-N 404.515 1.094 30 10 HDEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1730692939 ONDADEAPFJSBJX-FQEVSTJZSA-N 400.531 1.777 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1740624510 JKURTXOIINNEDD-QZTJIDSGSA-N 424.567 1.299 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)OC 1740664434 QCKCBGCQJRLIMQ-OAHLLOKOSA-N 405.524 1.690 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)OC)CC1 1740704831 YTMMBKUHIKDGBM-MRXNPFEDSA-N 411.506 1.954 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740799551 OWIYUQTXFBUWGZ-DYESRHJHSA-N 421.542 1.578 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCNC(=O)C1)C(C)C 1740928038 ZWGAKFXPIUTYDY-MOPGFXCFSA-N 416.570 1.807 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CCC)C1 1740963622 RDCYSRLBIXAKEH-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)Cc1ccccn1 1740993060 SBHOJLADZVFZAJ-UHFFFAOYSA-N 412.519 1.896 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)C1 1741983420 KBWFRUWGOCVVBH-BEFAXECRSA-N 422.555 1.574 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1742283966 MOEGTQKINWANPJ-DYESRHJHSA-N 410.478 1.373 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1742906461 JEOFXSIWZOMZKS-JCGIZDLHSA-N 410.478 1.024 30 10 HDEE CCNC(=O)C1(Cn2c(C(=O)NC(C)C)nnc2N2CCC(CC#N)CC2)CCC1 1746489157 GSSNSNZJUSFIRY-UHFFFAOYSA-N 415.542 1.853 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NC(C)C 1747129996 LKJSYLUZIGHJRV-UHFFFAOYSA-N 413.482 1.264 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1747426738 FLWZAYSQCOXCIR-QGZVFWFLSA-N 424.571 1.411 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1748269249 GKHIDYQRWDVOIV-HNNXBMFYSA-N 410.251 1.614 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748812542 VXSUDJBVSGUPPK-KRWDZBQOSA-N 403.508 1.392 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](OC)C2CC2)CC1 1749010717 VTAQFKUYMAFJNL-RTBURBONSA-N 415.538 1.911 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC(=O)N(C)C[C@H]1C 1749029864 YZSXSRNZVVYJIJ-CQSZACIVSA-N 413.503 1.707 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749126306 AQBWVVYKKRWIPE-MGTHKWJCSA-N 415.494 1.615 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749458108 YLXZCTSTCOCIFL-AEFFLSMTSA-N 418.542 1.805 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1749664641 VIKJUCDUBXJNEV-GCKMJXCFSA-N 412.494 1.415 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCOCC2)C1 1749694876 WYACWVXHTXOYGD-QZTJIDSGSA-N 420.558 1.166 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1 1749738106 FWDPHMMZIFRTJU-UHFFFAOYSA-N 417.535 1.638 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCC2 1749956231 XANFWKKUIVRJBX-ACJLOTCBSA-N 404.450 1.030 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)CCOC1 1751026333 NPHSVPUDJZPLQU-XLIONFOSSA-N 404.515 1.143 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1760224299 FBGJMPWIGMLKKT-UHFFFAOYSA-N 408.550 1.975 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2nnc(CC)s2)CC1 1760259056 GDLOSIQWUGAFGG-OAHLLOKOSA-N 401.540 1.737 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC2CC2)CC1 1760272236 DEFLWYNGHKJILC-UHFFFAOYSA-N 402.568 1.413 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760357687 LUYKNQMMQXIZRI-BBWFWOEESA-N 412.556 1.777 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1760697692 VCSITKAIRGLHTL-MRXNPFEDSA-N 422.493 1.707 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)C1 1761546457 WWKQTQRNFAYAAS-UWJYYQICSA-N 416.526 1.726 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1768243143 FMVLYCRXXXPGPB-AWEZNQCLSA-N 418.523 1.070 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1769565081 VWHFDTQBWATFBO-CRAIPNDOSA-N 406.512 1.150 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC(C)C)C1 1769737340 DWGUQGRFENTLJC-UHFFFAOYSA-N 418.523 1.370 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1770874758 YTBBOSCXSTXDBP-UHFFFAOYSA-N 421.461 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3c[nH]c4cccc(C#N)c34)CC2=O)C1 1774180490 OKSCWZRXJGIIKE-CQSZACIVSA-N 423.473 1.990 30 10 HDEE N#CC1CCN(c2ccccc2NS(=O)(=O)CCN2C(=O)CCCC2=O)CC1 1849573401 CPVITFGLZNLQKP-UHFFFAOYSA-N 404.492 1.707 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)N3CCC(c4ncccc4C#N)CC3)C2)cc1=O 1849611845 XIICGTBTWRKTRV-SFHVURJKSA-N 406.490 1.670 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1850862798 LYAFYSVWBLDITD-FUHWJXTLSA-N 403.910 1.976 30 10 HDEE Cc1nn2c(NC(=O)c3ccccc3C(=O)N3CCN(C)CC3)ccnc2c1C#N 1851114855 CMIVNFCZYICDJU-UHFFFAOYSA-N 403.446 1.549 30 10 HDEE COc1ccc(S(=O)(=O)C2CN(C(=O)COc3c(C#N)cccc3OC)C2)cc1 1852197334 NSJYQWNQCNTGHO-UHFFFAOYSA-N 416.455 1.639 30 10 HDEE COc1cccc(C#N)c1OCC(=O)OCCN1CCN(C(=O)C(C)(C)C)CC1 1852236127 PCXOFAHZYQEDDP-UHFFFAOYSA-N 403.479 1.679 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1=O 1853682356 KIDSJCBCUJAESC-IRXDYDNUSA-N 409.490 1.493 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCCOC3)C3(CCCC3)C2=O)CC1=O 1854008088 KHQAKOCIVUTOPR-QZTJIDSGSA-N 403.523 1.431 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC3(CC3)C2)CCN1S(=O)(=O)c1ccccc1C#N 1854454246 NFDQIQCBTIYSNV-UHFFFAOYSA-N 401.488 1.887 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@@H]1C 1854821955 WHVQHKMBPJHNIN-HKUYNNGSSA-N 419.547 1.784 30 10 HDEE COCCn1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)cn1 1855922958 ZUOKAZRNNVGVSY-INIZCTEOSA-N 411.462 1.153 30 10 HDEE CCn1nccc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856307471 UORAFOMJDCLVSW-HNNXBMFYSA-N 412.519 1.395 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CCn4cccn4)C3)CC2=O)cc1C#N 1856372744 NLYSOONVPUQIKM-HXUWFJFHSA-N 406.490 1.122 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3sccc3F)C2)C1 1856410996 VNAMVUSGJVBEHV-GFCCVEGCSA-N 400.435 1.906 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)ccn1 1856455648 KAMAEFXRCIURLW-GOSISDBHSA-N 405.458 1.978 30 10 HDEE COc1ccccc1CC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857040795 GWWDZOGVMDJJDH-QGZVFWFLSA-N 419.503 1.178 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C)n(CC)n2)C1)[C@@H]1CCN(C)C1=O 1857079650 FNOZULOSTURXTE-FUHWJXTLSA-N 401.511 1.309 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@H]3Cc4ccccc4O3)C2=O)C1 1857111950 NPQCNOYOQBDNEI-FXAWDEMLSA-N 404.426 1.147 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)C2)c1 1858415473 FKAOOUFEOYDPMS-CQSZACIVSA-N 410.455 1.702 30 10 HDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1 1861614152 VMRIISGILFRCCY-HIFRSBDPSA-N 405.882 1.995 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(C)C[C@H]2CCCO2)cn1CCO 1870547082 YPDJYAGWQATWKS-LJQANCHMSA-N 419.522 1.031 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cc(Cl)cc(Cl)c2)[nH]1 1871539464 YITPORITGJBKJO-UHFFFAOYSA-N 424.336 1.478 30 10 HDEE COc1cc(/C=N/n2c(S)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 1874564389 CERXYOFXCIATOW-OZOTYFBYSA-N 405.480 1.896 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3 1889660122 JNCZHTQRQQKCKV-HOTGVXAUSA-N 400.548 1.715 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1960402327 DNJJFKVVYRPRHJ-ZJIFWQFVSA-N 410.515 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985104910 MQXGSPSKSITSJZ-CYBMUJFWSA-N 404.276 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2nnc(Br)s2)[C@H](C#N)C1 1985857583 CKKFRZSAPUODRR-MRVPVSSYSA-N 402.274 1.886 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015322817 JBTUEJIISVSTBU-AWEZNQCLSA-N 423.319 1.545 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2cc(Br)nn2)C1 2020890940 NQKUHQHWSDQZOY-UHFFFAOYSA-N 400.277 1.770 30 10 HDEE C=CCNC(=O)[C@@H](C)[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074681559 UIYOIXPKOFVGCX-YCYNLCBSSA-N 410.492 1.584 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@@H]4OCCO[C@H]4C3)c(Br)c2)OC1(C)C 2116147994 JSWFGVIWNSFFJD-KBPBESRZSA-N 411.105 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2118162408 HGRPZSPJRGRZBW-UOXLDJKESA-N 406.530 1.184 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2cc(Br)sn2)c1=O 2139778276 ZMQNXWLAQQKUFH-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@](C)(CN)CS(=O)(=O)C(C)(C)C)[C@H](C#N)C1 2194937540 KTNODLMDKHBVET-RDTXWAMCSA-N 402.561 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2cnc(NS(=O)(=O)N3CC[C@H](C#N)C3)s2)C1 2201912268 JGSJINXSRHRXLM-LLVKDONJSA-N 413.525 1.980 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2217456609 RRKGORCQCDPDNO-LSDHHAIUSA-N 419.331 1.845 30 10 HDEE CO[C@@H]1CC[C@@H]1CS(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2239419740 BDRGNDBQNITTBE-DGCLKSJQSA-N 402.347 1.287 30 10 HDEE CON(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247827702 DGRSTOWEHPNYEJ-UHFFFAOYSA-N 422.291 1.332 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247834252 SPLLJZFTZSVYKH-AWEZNQCLSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247934046 WOJDMZHUDRHKHW-MRXNPFEDSA-N 422.331 1.842 30 10 HDEE CN(C[C@@H]1OCC[C@@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282328684 BAWZHRUKLJYDRJ-STQMWFEESA-N 405.322 1.795 30 10 HDEE CCCNC(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337547 LVICQYRLAVUNFO-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCO[C@@H]3CC3(F)F)s2)OC1(C)C 2282341016 MNJIKQULIUSQRD-SNVBAGLBSA-N 409.285 1.750 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341475 SOEUCWANZALFHZ-YMXBGEKHSA-N 401.359 1.421 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282344630 WMVGVACHZHEHCL-CANCMXDXSA-N 401.359 1.421 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3COCCC3(F)F)s2)OC1(C)C 2282351446 ANNLHSPTRQYTCN-SNVBAGLBSA-N 409.285 1.750 30 10 HDEE C[C@H](CC(=O)N(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496061 VNPQZOMPHYVMIE-LLVKDONJSA-N 402.347 1.192 30 10 HDEE CCCN(C)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282511359 LPEDVDZUFPFJRJ-UHFFFAOYSA-N 403.379 1.204 30 10 HDEE CCC1(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CNC1 2282511960 PVHUWZWNDHORRS-UHFFFAOYSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@]3(O)CCCOC3)c2Cl)OC1(C)C 2282642343 MDHINWUWNDBVTL-KRWDZBQOSA-N 401.721 1.972 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](O)C(F)(F)F 2282830211 QKIWKZDHQFQVQF-JTQLQIEISA-N 415.264 1.557 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](N)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834964 ZGXLLDHQYPSXSC-CHWSQXEVSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CO)CC(F)(F)F)c2)OC1(C)C 2282850062 KNTZFRGWBZNDIP-JTQLQIEISA-N 415.264 1.639 30 10 HDEE C[C@H](N)[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282881862 DFXKMURBSGHKOZ-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@](C)(O)CC(=O)O)sc2Cl)OC1(C)C 2284417487 LYYPAFBRTDAFCV-INIZCTEOSA-N 403.693 1.656 30 10 HDEE CC(C)(C)OC(=O)N1CCN2CCOC[C@]2(CN=c2[nH]c(Cl)c(C#N)s2)C1 2288172436 HMICXKXWLOEIHL-KRWDZBQOSA-N 413.931 1.824 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=NN=c1ccc2nnc(C)n2[nH]1 2328793042 MAOHKZJKPLNDEH-UHFFFAOYSA-N 409.406 1.586 30 10 HDEE COc1cc(C=NNC(=S)NCCN2C(=O)CSC2=O)cc(OC)c1OC 2330416533 BIKDXHHRDJCCCN-UHFFFAOYSA-N 412.493 1.206 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(OC)c(O)c1 2331260554 NNTZHYFPEBCYRY-UHFFFAOYSA-N 407.496 1.682 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331548426 DNCZDLGPFFLSFZ-UHFFFAOYSA-N 422.467 1.881 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2342068292 DBXQTRSJVPTZSL-LVCYWYKZSA-N 420.531 1.365 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 111225291 VPVYLNVXMBCSAT-IRXDYDNUSA-N 424.592 1.841 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 409475845 FDNGUAUMBXNWNQ-IAGOWNOFSA-N 400.932 1.782 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 410188177 KSPMVHGMGZHBBZ-ROUUACIJSA-N 408.524 1.434 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 429459655 YRBIPZYNJPSXTP-SPYBWZPUSA-N 421.505 1.567 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CCO2)c1 439832813 SCDAWIYJAMZMQC-IBGZPJMESA-N 404.426 1.834 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](Cn2ccnc2)c2ccc(C)cc2C)CC1 442238820 DGHDDFYJPDAGTM-NRFANRHFSA-N 424.549 1.871 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 442611668 UFDQTAVPAYUTDA-UHFFFAOYSA-N 405.587 1.662 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC2)n2ncnc2n1 467136755 CBTDOIDKYUVTCX-UHFFFAOYSA-N 419.417 1.094 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@H](C3CC3)C2)CC1 485845410 QPYICDLTINOXDF-SFHVURJKSA-N 411.462 1.566 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 485995446 DOROSNGCFWODGS-IBGZPJMESA-N 411.483 1.883 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)ccc1F 488858596 NPJLHOFTGSIOPZ-UHFFFAOYSA-N 421.425 1.748 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@H](C)C3)cc2C1=O 497475091 PMLQGVZNMZWRPT-UZLBHIALSA-N 410.518 1.567 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cscn2)c1=O 497573607 XSXZNRYNEHLICO-UHFFFAOYSA-N 409.492 1.947 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C)CC1 508453121 GEDWOWIHTTWTCQ-UHFFFAOYSA-N 411.510 1.108 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 511374765 BGDSYUQFSAKJKB-FQEVSTJZSA-N 420.469 1.803 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccc(Cl)cc2)N(C)C)CC1 531078983 VRUDQNVRUIOWGX-GOSISDBHSA-N 407.946 1.572 30 10 HDEE C[C@H](C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)n1cnc(C#N)n1 537302084 SSHQTLQKBXPXPZ-LLVKDONJSA-N 424.870 1.024 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cccc(C(=O)NC4CC4)c3)CC2)n1 544876640 BZKNNPKLWTVOGN-UHFFFAOYSA-N 404.474 1.606 30 10 HDEE CO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(O)cc1 545913168 YIIFHJFYUFFJMC-LJQANCHMSA-N 415.471 1.484 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 546209964 LPKSPEIIBKFNLV-UHFFFAOYSA-N 412.538 1.181 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4ccncc4)C3)CC2)n1 546877395 ROPUKHCYWXOLBI-GOSISDBHSA-N 404.474 1.549 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 549597897 IWNYRDHJFFQRIL-CVEARBPZSA-N 413.544 1.050 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2=O)cc1 561727344 VSNYSXHHGZWCEF-OAHLLOKOSA-N 423.395 1.075 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc(-n2ccnc2)n1 585474699 BYOLJQQAHAPIJE-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE COc1cccc(N2C[C@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2=O)c1 608925379 GVRKHOLFCHJUTG-MRXNPFEDSA-N 416.441 1.870 30 10 HDEE C[C@@H](C#N)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 609524960 PKCVZTHOVGYCBU-JTQLQIEISA-N 402.270 1.078 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 725768362 KGNGHNQSYRHBAA-JOCHJYFZSA-N 415.457 1.372 30 10 HDEE CC(C)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2ccccn12 726152629 IRFXXBFEKLHDFI-KRWDZBQOSA-N 412.475 1.281 30 10 HDEE C[C@H]1Oc2ccc(C(=O)CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)cc2NC1=O 727977280 WJIJJJQUISEJKU-VERVWZFWSA-N 418.409 1.928 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 730138990 PASFYMYXZIPTCM-OAHLLOKOSA-N 414.478 1.611 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730143122 UJZPZRMKAVQBNO-INIZCTEOSA-N 406.552 1.949 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734271210 GMHAQDAFBVZWLH-QGZVFWFLSA-N 423.558 1.263 30 10 HDEE N#C[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CCN1C1CC1 736484401 IQUXGJJWYAALRE-HNNXBMFYSA-N 415.437 1.764 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1C#N 747020170 JXOZBNWAGXFCAA-ZDUSSCGKSA-N 404.444 1.583 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@H]1CCOC1 749871394 QXOGQIKMMRZDIZ-OAHLLOKOSA-N 422.510 1.322 30 10 HDEE COc1ccc(CNC(=S)NN=Cc2c(C)nn(C)c2N2CCOCC2)cc1 755525817 XLLNKVBLSJXMAP-UHFFFAOYSA-N 402.524 1.572 30 10 HDEE C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1-n1cccn1 759878648 BUFDXKJSILUAJR-CQSZACIVSA-N 409.471 1.788 30 10 HDEE COc1cc(NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1C 765253542 UKXOPYRTBKRTBD-RCCKNPSSSA-N 406.468 1.886 30 10 HDEE CC[C@@H]1CN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CCN1CC(F)F 765716133 IOWCHOKCARBUMR-QGZVFWFLSA-N 405.449 1.941 30 10 HDEE N#Cc1cccc(OCC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 767147285 CVWSXCFSMNRYFB-VQTJNVASSA-N 404.470 1.652 30 10 HDEE C=C(C)C[C@H](C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 768203154 QRUVWTHVPPVBNQ-HNNXBMFYSA-N 415.556 1.682 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1c1noc(C2CC2)n1)c1cc[nH]n1 772277424 AWTDMYSMKJNFRD-CQSZACIVSA-N 416.438 1.708 30 10 HDEE Cn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2cnn3ccccc23)c1=O 772277597 PWABLVRJCKXKNC-UHFFFAOYSA-N 422.416 1.759 30 10 HDEE C#CCN(C(=O)NCc1ccnc(OCc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 774167259 RJIWFCXNZARKKC-LJQANCHMSA-N 413.499 1.993 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 775367769 CEUDOVOBXPCDLQ-GOEBONIOSA-N 422.507 1.394 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)[C@@H](C#N)c1nc(C)cs1)S2(=O)=O 790025612 COFGSSAMFSZNKB-GFCCVEGCSA-N 421.456 1.490 30 10 HDEE COc1ccc(S(=O)(=O)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)c(C)c1 793344590 VXUQARJVPYTKIG-UHFFFAOYSA-N 418.475 1.893 30 10 HDEE CC(=NNc1ccnc(N(C)C)n1)c1ccc(Br)c(S(N)(=O)=O)c1 797402889 RPOSQECCNQGMRQ-UHFFFAOYSA-N 413.301 1.789 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl)n1cnc(C#N)n1 798745776 VMWWIXSMCFKBCA-GFCCVEGCSA-N 413.825 1.791 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 799770546 BPALKAAVJXBKDV-XGNMISCSSA-N 408.458 1.854 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811529383 NEZNXBMIKHOZRW-BBRMVZONSA-N 422.507 1.351 30 10 HDEE C#CCN(c1nnc([C@H]2Cc3ccccc3O2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812168542 RKQQMIIAHGGIKT-SJLPKXTDSA-N 416.503 1.227 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CCN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 813540392 FWNYBCOMIBQGIM-ZCXUNETKSA-N 418.494 1.905 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ncnn1C(C)C 819581011 RZNCDYKIXPLJEZ-OAHLLOKOSA-N 418.523 1.629 30 10 HDEE N#C[C@H](C(=O)NC1CC1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916926603 MQEXQDQFJHYSNW-INIZCTEOSA-N 409.895 1.728 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(F)cc3C#N)c2)NC(=O)NC1=O 1116353755 GEZVLVWLHNOQBL-GOSISDBHSA-N 402.407 1.230 30 10 HDEE C#CCN(c1nnc(-c2ccco2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1122992179 PIYOSXZYFNSDPU-CVEARBPZSA-N 404.492 1.734 30 10 HDEE C=CCCn1cc(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)nn1 1125130194 BXDURERHSCMQGP-HXUWFJFHSA-N 408.506 1.590 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CN2CCCCC(=O)C2=O)CC1 1125701085 WMHMYGOLTSCRJC-UHFFFAOYSA-N 405.458 1.337 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1128796945 LXZLIRGDRVAIDJ-QGZVFWFLSA-N 407.268 1.395 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc1 1141168633 WOZSVEANCYKXDW-HNNXBMFYSA-N 400.522 1.190 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1ccc(Cl)cc1 1144004199 URAHVLLLSNLNHX-RRFJBIMHSA-N 411.853 1.991 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)cc1OC 1150305208 SECJVGMLRQKEGZ-QGZVFWFLSA-N 408.520 1.595 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN(CCC#N)CC3)cc2)C[C@@H](C)O1 1152067857 HUWBVEVWBGBGMU-CALCHBBNSA-N 420.535 1.156 30 10 HDEE C#CCN(CC(=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1)C(=O)OC(C)(C)C 1152184721 CTJIBRMKOJNWFW-JCNLHEQBSA-N 406.504 1.978 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1 1156655135 XVGVGTILVQNSHV-UHFFFAOYSA-N 417.531 1.677 30 10 HDEE N#C[C@]12CN(C(=O)CSc3nccn3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1157884873 MHSBCIKSBSVOFG-QFBILLFUSA-N 416.528 1.420 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc21 1177114304 SCSHMDZSBZMJJD-UHFFFAOYSA-N 419.489 1.533 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3nc(-c4ccccc4)no3)C[C@H]1CS(=O)(=O)C2 1178757820 VSRXAHLARLZWSV-GUYCJALGSA-N 404.473 1.225 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2C(=O)NC2CCCC2)c(=O)n1C 1189861313 DBVIRAVQMLHPHC-UHFFFAOYSA-N 409.446 1.038 30 10 HDEE C=CCSCCNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1226100921 PTWOQDPBQNZFID-CQSZACIVSA-N 421.585 1.629 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286372326 QKNGXRZJQNZVCL-HRCADAONSA-N 416.526 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1cc(OC)ccc1OC 1286407525 LCUOLNAFVXBDMV-IBGZPJMESA-N 421.501 1.952 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1286431946 UHDRPAUPYRNMJH-INIZCTEOSA-N 401.492 1.296 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CCc2n[nH]c(C)n2)CC1 1286493970 KCIGFZCUOONDOP-UHFFFAOYSA-N 424.553 1.646 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286786590 HOKDRLAVIWTPRW-CVEARBPZSA-N 400.483 1.191 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1286821040 YXPIFLNUEHEMDH-CVEARBPZSA-N 423.583 1.715 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1288137764 FUYDXKHJNQAOFG-FBMGVBCBSA-N 415.498 1.323 30 10 HDEE Cc1cc(=O)n(-c2ccccc2)c(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1289202176 ZVCHYOMTAQGGOG-KKSFZXQISA-N 411.483 1.465 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(CCOCC)c1 1292008731 OGXOPQONNZEPOO-GFEQUFNTSA-N 402.495 1.372 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)C1 1296518309 AWWCNPPLYLXQFX-KCTSRDHCSA-N 417.307 1.869 30 10 HDEE C#CCOc1ccc(CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)cc1 1298075532 HEJGXPGQAAOEPH-UHFFFAOYSA-N 407.474 1.234 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]1C)c1cc[nH]n1 1299616530 LEOVQOFASMGMCI-KBPBESRZSA-N 422.482 1.662 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300365250 RWDMCODHJKJRKQ-SQGPQFPESA-N 422.551 1.368 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1300428524 GZEGACSMDARXEC-RYLXDESZSA-N 404.511 1.800 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCN(C)C1 1300604881 PQCRZABJUOXLTD-QGZVFWFLSA-N 407.316 1.562 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](Cc2ccccc2)OC)CC1 1300698545 UVODANKFOVPLCB-VQTJNVASSA-N 422.533 1.242 30 10 HDEE C#CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1300776912 ONRDRFFAOAZCOT-OXJNMPFZSA-N 421.567 1.352 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@](C)(C(F)F)O1 1301081094 NXGKVQOTYSXICT-SJCJKPOMSA-N 401.435 1.763 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301136817 FCXUQDMWCACPFP-IFXJQAMLSA-N 424.571 1.207 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1301422697 UTAHJYQHJDOTLM-JLTOFOAXSA-N 419.482 1.185 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301468771 PDZHYOFIQFPZCA-SFHVURJKSA-N 402.480 1.487 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301490716 YBBMXMCMYICMFY-OAHLLOKOSA-N 400.483 1.644 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1301587756 SGFFOZZLNAUCIE-UHFFFAOYSA-N 405.480 1.912 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc2cccc(F)c2[nH]1 1302984659 ZWPMPNDRRGUAAW-UHFFFAOYSA-N 415.450 1.837 30 10 HDEE N#Cc1cn(CC(=O)NCC(=O)c2sc3ccccc3c2Cl)c(=O)nc1O 1302988400 TXAWZAUUPQQISP-UHFFFAOYSA-N 402.819 1.688 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CN(CC(C)C)CCO1 1304829417 DQLIVNCHPPINLY-SFHVURJKSA-N 411.510 1.478 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCO1 1305879835 AWQYKZUAZZTXJV-HXUWFJFHSA-N 407.482 1.899 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1306193945 IAMTUMSFZHXTJF-OAQYLSRUSA-N 411.485 1.656 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1309493857 LYFCACHXCXASHO-INIZCTEOSA-N 416.565 1.775 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)c1 1309879868 DPRUMVUUNJYHLW-FQEVSTJZSA-N 415.471 1.111 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)C[C@H]1O 1315108083 CNFDTAXSJRMELH-HZPDHXFCSA-N 424.486 1.682 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@](F)(C#N)C1 1316348402 AGJVEKAOGXAIFP-KRWDZBQOSA-N 411.434 1.483 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC2=CCCOC2)cc1 1316533157 FVKPTARRVMMGHV-UHFFFAOYSA-N 408.462 1.402 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCCO3)n2CCCCCO)CC1 1316533197 HFHYMVJOCJRXLB-GOSISDBHSA-N 411.510 1.885 30 10 HDEE C[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)CN(C)C(=O)OC(C)(C)C 1322734277 HOQRZVFPLTZDRW-JFVSRZABSA-N 409.487 1.315 30 10 HDEE C=CCOC[C@H](NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O)C(=O)OC 1339753812 JJBPKMVAEFBYGY-HNNXBMFYSA-N 413.455 1.897 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358928640 GMJUVJQREJBHNF-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358936984 DXRKWZSTQHOYHY-INIZCTEOSA-N 412.469 1.067 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1358962531 RIUROPCTVOICLT-OAHLLOKOSA-N 405.911 1.879 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC2CCN(CC)CC2)CC1 1359034651 YYZCCHWVEQGJFV-UHFFFAOYSA-N 410.570 1.556 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1359039546 NCRQRIVWTCBNFA-GDLZYMKVSA-N 415.563 1.497 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359057865 LBRJWVUKEKHMRS-UHFFFAOYSA-N 414.535 1.749 30 10 HDEE C=CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1359241825 FLPCBDWHQWDMQM-UHFFFAOYSA-N 418.492 1.933 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359299306 BMUJBZRGNZZNSA-IRXDYDNUSA-N 418.542 1.359 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)CC1 1359306468 HFZVFKHEHZNKIF-SJLPKXTDSA-N 418.542 1.167 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)CCOC1 1360348089 SFNYQRISMDOPSC-DBXWQHBBSA-N 418.542 1.388 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)C1 1360788325 QDXBTPLMGFMMPE-OXQOHEQNSA-N 402.499 1.509 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 1435839856 DGNPYGFSNGXYNY-KRWDZBQOSA-N 405.495 1.832 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1436054140 PXTNLTCWTNXUAO-YOEHRIQHSA-N 400.866 1.810 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1441182213 WIHVOERTBXHKNC-QGZVFWFLSA-N 421.519 1.941 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1442511769 BWXNDWUGDNNJQC-ULQDDVLXSA-N 409.527 1.847 30 10 HDEE CC(=O)N[C@@H](C(=O)NCC1CCN(CC#N)CC1)c1cccc(Br)c1 1444002221 PWSYKYCWNRPMPK-QGZVFWFLSA-N 407.312 1.978 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@]4(CCCOC4)C3)CC2=O)cc1Cl 1449328104 QGSLNQSPXSLMLS-MGPUTAFESA-N 403.866 1.973 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 1459881162 OAKJTFMMRJRTET-IXDOJHRFSA-N 404.536 1.659 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)cnc3Cl)C[C@H]1CS(=O)(=O)C2 1462986775 AYDUWGYXWZPLDY-SDBXPKJASA-N 404.673 1.508 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cc(F)ccc2OC[C@H]2CCCO2)c(=O)nc1O 1465596994 DFLBATCZNOHSRJ-CQSZACIVSA-N 417.397 1.339 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1467860063 FKMFVWJVNLDWFC-UHFFFAOYSA-N 403.460 1.622 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]2(C)C(=O)OC(C)(C)C)cc1 1470337006 RNKKOPXVHRENAL-HXUWFJFHSA-N 406.504 1.935 30 10 HDEE COc1cccc(C(=O)CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1 1471458993 MCYFSXNKWLDCFO-GOSISDBHSA-N 420.425 1.771 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1478126379 QLRGNMWQBFWACE-GOSISDBHSA-N 401.463 1.369 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CCOCC1 1478488684 IKUNOTDICMRWDY-UHFFFAOYSA-N 409.483 1.737 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1496791068 XSRMKZVQZDXWHG-HXUWFJFHSA-N 401.515 1.415 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1507517309 PERAUUJFYHQJJO-ZBFHGGJFSA-N 421.571 1.700 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1507537532 IOHSLYFZGUYTRA-CVEARBPZSA-N 403.508 1.218 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCOC1 1507659281 YZTMTURCSGAZMP-IBGZPJMESA-N 413.522 1.420 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCOC(C)(C)C1 1507710377 FWAFFPRRUDSPLM-SFHVURJKSA-N 405.543 1.369 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCC2(F)F)CC1 1507723533 LOSVDRDNFDXSQI-HZPDHXFCSA-N 406.481 1.810 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1Cc1cn(C2COC2)nn1 1507822309 UCHACZYBBDALJJ-UHFFFAOYSA-N 400.487 1.014 30 10 HDEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1507835317 VCSIJQMMETVIFJ-WAOWUJCRSA-N 405.543 1.663 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCC1CC1 1508088450 SEAGFAPRNNAKOW-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1513188632 FFMQDJVSLJTPNW-IERDGZPVSA-N 415.542 1.835 30 10 HDEE CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1/N=CC=CC1=O 1515360392 YTHYTJODSLOVIR-VGVBMJIYSA-N 424.461 1.773 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1COCCO1 1518479373 IQTFJOAGQIIKIQ-QZTJIDSGSA-N 413.478 1.412 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1519432853 UJOFBYPYTWUQJK-DBSRCYSRSA-N 419.526 1.672 30 10 HDEE N#Cc1ccc(OC(=O)[C@@]23C[C@H]4C[C@@H](C(=O)N2)[C@H]3C4)c(I)c1 1524881228 CIGRDDGEWRMACC-GFOPWETNSA-N 408.195 1.983 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@@](C)(C#N)C2)ccc1Br 1538843742 ACQSRIVLCOBTQN-HNNXBMFYSA-N 416.297 1.454 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1539032115 SWQOMNAPFDHFGO-OAHLLOKOSA-N 423.514 1.782 30 10 HDEE C#CCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1539094010 IYNPMSABCJJRQR-QAPCUYQASA-N 415.469 1.922 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539222581 WQUJQERAQZMPNV-ZACQAIPSSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OCC2CC2)c1 1539232013 YDUQWXRSGWHWCN-UHFFFAOYSA-N 406.490 1.721 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@](C)(O)c2ccccc2)CC1 1539444216 JLVPIEVLMBXDQW-QHCPKHFHSA-N 419.533 1.732 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCCCC2)CC1 1539446028 OHWDUBKABMHLBH-GOSISDBHSA-N 414.554 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCC)CC1 1539466802 HLJNNZFSEIVIAP-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1539750860 WGDSZXAWLHBJFB-INIZCTEOSA-N 404.515 1.542 30 10 HDEE C=C(C)COCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1539759692 KPXRAUFDVCBTAY-JXFKEZNVSA-N 408.499 1.522 30 10 HDEE CC[C@@H](C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)N1CCO[C@H](CC)C1 1540590945 HBLQUYXVZRFXID-AEFFLSMTSA-N 401.511 1.962 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1540870359 LMBDULLDLRXYGQ-OAHLLOKOSA-N 421.509 1.225 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC(N)=O)cc1 1540878308 TXWTVQUGHOQALU-PBHICJAKSA-N 412.494 1.542 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)n1 1543066480 DYWYHWJUFYZVPU-GOSISDBHSA-N 420.477 1.016 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1543937944 ATRAIWNMZVCYEX-INIZCTEOSA-N 404.419 1.810 30 10 HDEE Cc1cc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)nn1C 1548369274 UHXYKVVWDYRSFD-INIZCTEOSA-N 420.395 1.435 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCSC1 1556092401 BZZIWLIMGUSWAU-DMPORUKFSA-N 423.535 1.938 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCSC[C@H]2c2nn[nH]n2)cc1 1556270118 JXXHZWVSRVJEKF-AWEZNQCLSA-N 406.493 1.207 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1nc2ncc(Br)cn2n1 1557383520 ADTXQAOQXAOWCW-ZDUSSCGKSA-N 401.224 1.564 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CCOCC1 1558775795 GPNINVLNZYYJOM-SFHVURJKSA-N 405.520 1.665 30 10 HDEE N#Cc1ncc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)nc1C#N 1559062984 VZPCGPUZGAWYGP-UHFFFAOYSA-N 422.392 1.750 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1 1566443314 HWKNTXWBHOSRJF-IYBDPMFKSA-N 410.478 1.960 30 10 HDEE C#CCN(CC(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1)C(=O)OC(C)(C)C 1568964462 HDAKCWKVTXHUDS-UHFFFAOYSA-N 413.434 1.863 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OCC 1569184794 ZTVCFLPYHOCTJK-SFHVURJKSA-N 417.487 1.932 30 10 HDEE Cc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C#N 1570674340 VVEOXANICPGUOW-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1584574886 AQWKRVHDYORGHP-HNNXBMFYSA-N 401.510 1.135 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](S(=O)(=O)NC)C1 1585942127 AURSHEKLXRYZBX-CABCVRRESA-N 403.545 1.776 30 10 HDEE Cn1cnc(-c2nnc3n2CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)C3)c1 1587504144 WOGAVGWVIBWKGE-UHFFFAOYSA-N 402.340 1.620 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC 1587581289 ZIGDQJKGYTZOTO-OAHLLOKOSA-N 405.524 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587652042 TWIDKNIEPDFDPI-ICSRJNTNSA-N 423.565 1.665 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(C)=O)CC1 1587754706 JOTNSRXMYVXXII-UHFFFAOYSA-N 412.494 1.914 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1587945863 RSYZOJTYLJGRJB-YCRPNKLZSA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(OC)CCOC1 1588613029 QNTGZEXOPAEVGM-NRFANRHFSA-N 400.479 1.845 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCn2ccnc2C1 1589599938 PNLWLEUMUSSLLP-CVEARBPZSA-N 421.571 1.750 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1593741612 SZAUNJWIKVDTPP-DLBZAZTESA-N 418.542 1.515 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cc[nH]n2)C1 1595755320 VUEWHWKRQLQAHZ-GDBMZVCRSA-N 401.471 1.064 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCc3c(CC#N)cccc3C2)[C@H]1c1ccnn1C 1595930226 FTQKWFGCCCRJLD-RTWAWAEBSA-N 407.474 1.359 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1615896836 ONLXCBDUGBFYPD-YLJYHZDGSA-N 405.522 1.599 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CCN1CCN(C(=O)OC(C)(C)C)CC1 1616345737 FRWSATUGJHOYLG-KRWDZBQOSA-N 415.542 1.411 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1616589126 QKDCMYVPYFBMTN-LJQANCHMSA-N 407.426 1.593 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCOCC(F)F)c1 1620349929 VRKLAWVEHFKZLD-UHFFFAOYSA-N 411.434 1.333 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(N)c(NC(C)(C)C)cc2F)CC1 1622067106 ALCFJYVJTXYYQG-UHFFFAOYSA-N 410.515 1.768 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 1622301343 OGWDAEJJGSHKAK-SJLPKXTDSA-N 404.492 1.535 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCN2CCO[C@H](C)C2)c(C#N)cn1CCOC 1623545058 BKMLDDRAOLRJDX-CQSZACIVSA-N 407.471 1.025 30 10 HDEE COC(=O)c1cc(Br)c2[nH]c(NC(=O)[C@H](C)n3cnc(C#N)n3)nc2c1 1627586610 DXTNRFMPRFBASK-ZETCQYMHSA-N 418.211 1.775 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(N3CCNC3=O)c2)c1 1630181332 NMTPDVFKLXGOBC-UHFFFAOYSA-N 402.407 1.905 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS[C@H]3COCC[C@@H]32)s1 1630567147 KUHHCIYFJQSITI-KBPBESRZSA-N 402.563 1.488 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCc1nc(O)c2c(n1)CCOC2 1632808096 FSNWUCVPDUCWAH-UHFFFAOYSA-N 419.235 1.584 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1633298500 VCFXJGFQYYIUEW-LBPRGKRZSA-N 408.398 1.432 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)Cc1cccc(OCC#N)c1)C1CCCC1 1637752740 HKENYBJUKZOYEY-GOSISDBHSA-N 408.524 1.202 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c1 1637860902 AZMHFQJXWXUOCX-FVQHAEBGSA-N 421.519 1.746 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1639134017 KSPDARSHAXGOKW-DLBZAZTESA-N 403.527 1.442 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)ccc1F 1639237050 JHJXZQUFYRTBDX-ZDUSSCGKSA-N 409.443 1.190 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1639950087 FWKQVPNFGIUOJS-IBGZPJMESA-N 405.476 1.083 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1640201039 PQKYOHSGDNCEEY-UHFFFAOYSA-N 412.559 1.847 30 10 HDEE CC(C)C[C@@H]1CN(Cc2ccccc2)C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1641970287 FVXWCWBXZOHJDI-UYAOXDASSA-N 423.517 1.731 30 10 HDEE C#CCN(CC(=O)N[C@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C 1642252271 FXMBWGDQPAVXDS-FQEVSTJZSA-N 419.434 1.970 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccccc3)cn2)CC1 1643372326 GWXUEDWNUTVBFV-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1 1643578355 HVNSKFHHZXKYGL-UHFFFAOYSA-N 420.441 1.464 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1650957529 DFWQEWNQQFQPMN-RDDDGLTNSA-N 402.266 1.992 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 1651560438 DEASKPOQUQNVIB-SEYXRHQNSA-N 407.470 1.625 30 10 HDEE N#Cc1cn(C2CN(C(=O)CSCC(=O)c3ccc(Cl)cc3)C2)c(=O)nc1O 1653760690 ZXXMSUDKHSMKEA-UHFFFAOYSA-N 418.862 1.473 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])c1 1655643986 CCDLMFKBERQVCP-UHFFFAOYSA-N 402.436 1.018 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@@H](O)[C@@H](F)C1)CCCC2 1660563174 QEMVHJFNLWNDCO-UCLAIMLFSA-N 404.486 1.761 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cnc(Cl)c(Br)c2)CC1 1663574460 OVPDYRZYSMNWFL-UHFFFAOYSA-N 420.716 1.648 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H](O)Cc2ccccc2)c(C#N)cn1CCOC 1668605506 DUXVDEGKCZOGIF-QGZVFWFLSA-N 414.462 1.908 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1676236282 KEKIKMNKGTYKTF-MSOLQXFVSA-N 409.508 1.240 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)NCCNS(=O)(=O)c3cccnc3)CC2)cc1 1680810083 SARMRZJRBUBBQN-UHFFFAOYSA-N 413.503 1.821 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(c3cnccc3C#N)CC1)CCO2 1685159669 ORVVHFYLDLLRSF-BATSVXPKSA-N 413.478 1.286 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689988297 MGTFMAOQPBTXRQ-DOTOQJQBSA-N 417.535 1.558 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1689988818 WSMUKEZMUWLBNG-ZWKOTPCHSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1CC[C@H](CO)O1 1690004924 LDWADYOHBKGEJH-RBUKOAKNSA-N 416.485 1.948 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC[C@@H]1CCCCO1 1690032905 LWAONDUMBJLCKC-ROUUACIJSA-N 421.567 1.701 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1690308252 HHMHOZXRHSBBHZ-UHFFFAOYSA-N 402.503 1.123 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nnc(CC)s2)C1 1690684678 LJZGKJIZKDIOCL-CYBMUJFWSA-N 405.528 1.660 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC2(CCC2)C1 1690722232 BLTMTEDJQGUDMQ-UHFFFAOYSA-N 404.496 1.095 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCO[C@H]1C 1694081032 OQFYSKXTNJBSLD-RXSFTSLZSA-N 412.494 1.866 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCCCO1 1694352305 AAYSPBHODBLJDT-DLBZAZTESA-N 404.515 1.884 30 10 HDEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1695988419 GITCLWLGSDVKAB-UHFFFAOYSA-N 420.539 1.617 30 10 HDEE COc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)cn1 1697439151 ABKNXRMZBNOMEQ-AWEZNQCLSA-N 406.450 1.973 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCSC(F)(F)F 1698170688 MVVVGKUEMDYVII-NEPJUHHUSA-N 409.434 1.984 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1705477577 PVRABXATNYUXJM-QWHCGFSZSA-N 405.480 1.123 30 10 HDEE C#CCN(c1nnc(C)n1CC1(SC)CCN(C)CC1)[C@H]1CCS(=O)(=O)C1 1705559987 CUKWOSYGHRRMFV-INIZCTEOSA-N 411.597 1.041 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1705566310 MHSXVYLKHIJSNT-KURKYZTESA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CCC1 1705575053 WTFAAGLFPFZYMD-ONOMSOESSA-N 418.563 1.693 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCn2cncn2)CC1 1705633750 XPKVNRDPBVJFTE-QGZVFWFLSA-N 424.484 1.604 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705701448 GPKWIPHFASDIOG-JQHSSLGASA-N 416.526 1.588 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705762006 JDEAQBLVBVTTEJ-MRXNPFEDSA-N 408.934 1.627 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705785769 VTMYQCDHPROCEY-DBSRCYSRSA-N 406.527 1.944 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1705879875 NTEGNFPHZFBOFF-OAHLLOKOSA-N 421.523 1.144 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705906009 OLJAUUCIGSASJN-GJZGRUSLSA-N 411.572 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1705932845 LNYYSQQXNPDIJC-AWEZNQCLSA-N 421.910 1.928 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccn(Cc2ccccc2)n1 1710744824 MNOCNJPUONDHSA-IBGZPJMESA-N 407.478 1.836 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)CC1=O 1711278834 ZPWFXFLXMXTFKZ-UHFFFAOYSA-N 419.445 1.005 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712875865 ITHVGNURFTXHTB-AOBSDOCKSA-N 410.413 1.242 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1722280877 XJVUTVDGAXAQQO-QWHCGFSZSA-N 409.487 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1722296815 VLINNIHMIWEZRI-CVEARBPZSA-N 409.556 1.287 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1722298017 SUCNQUFXXCTVMM-SFHVURJKSA-N 421.549 1.821 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1722316149 CNXIUAKKINNMGJ-KRWDZBQOSA-N 421.567 1.288 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1722332274 HLIZRUQSJPLCBO-IKGGRYGDSA-N 407.540 1.403 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1C 1722349922 GJCASNVNHHWJLG-JKSUJKDBSA-N 406.490 1.934 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1722406910 BHHHFTXSNYDBIP-NRFANRHFSA-N 400.479 1.963 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)N2CCC(C)CC2)CC1 1722429806 SJWZAZTUUJUJJC-IBGZPJMESA-N 415.586 1.292 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1722435105 BJWJSZFDSLNMCV-LJQANCHMSA-N 413.547 1.668 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1722522839 GVHAYYUOGIOLIH-INIZCTEOSA-N 403.508 1.845 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)N(C)C)CC1 1722583707 TZPYHLUYFVZEJI-ROUUACIJSA-N 407.584 1.923 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCN(C)C2)C1 1722718832 VEBHWPVCTIOWMC-UZLBHIALSA-N 418.929 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOCC1 1722748835 BOCYYSUCKJUTOM-UHFFFAOYSA-N 407.452 1.291 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1723643611 JGGIBXJVIATDFS-DLBZAZTESA-N 407.478 1.056 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)COCCO2)CC1 1724010358 NMZBQAGHASHADX-FQEVSTJZSA-N 402.499 1.336 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1728186313 MOTNSBULJTWBOZ-QFIPXVFZSA-N 424.505 1.729 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1740604856 IMHXCSSTUFXSLW-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1740608695 DEIYTXYSCKKTSX-QZTJIDSGSA-N 402.520 1.507 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1740612877 LLNUOCHZAJLXNE-AWEZNQCLSA-N 400.508 1.254 30 10 HDEE C#CCN(c1nnc(-c2ccc(CC)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1740620329 VVMGHMOQWOPUQS-GOSISDBHSA-N 414.531 1.659 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1740646287 VHQMCPCXUDASSH-MRXNPFEDSA-N 419.489 1.303 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@@H](O)C1 1740646482 ASNALPMCIBWAEI-JQVVWYNYSA-N 400.523 1.944 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1740786213 UVFMNHKKKXJSAP-VGWMRTNUSA-N 400.545 1.836 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1741801694 CIRDRZOFGAHHIK-HOCLYGCPSA-N 401.515 1.807 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC(=O)NCC(F)(F)F)cn1 1748005372 HFNVXHXWIGITGT-UHFFFAOYSA-N 410.404 1.487 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(=O)NCC)cc1 1748802798 JVWYSOQWBBKGGO-OALUTQOASA-N 411.506 1.870 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1748824343 OKAGRBHKRWXIJP-HNNXBMFYSA-N 423.564 1.563 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCc2ccccc21 1748824652 GDIOVOVZHWZRRV-SFHVURJKSA-N 404.518 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOCC2CCOCC2)CC1 1749001098 IBKSXRWULPUCDQ-HXUWFJFHSA-N 417.554 1.718 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCN2CCC(C)CC2)CC1 1749015668 IRDONXAJRKYADS-UHFFFAOYSA-N 412.582 1.928 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1csc(CC)n1 1749666679 PPNRYTXSWGKQCM-ZDUSSCGKSA-N 403.512 1.187 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCNC(=O)CC1 1749689282 BUBPKOOAZVIFJI-UHFFFAOYSA-N 405.462 1.675 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncccc2N(C)C)C1 1749708065 HKNJYZZISWTZCO-HOTGVXAUSA-N 411.510 1.520 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCc2c(ccnc2O)C1 1749737912 APNLLMIHWSMRBD-UHFFFAOYSA-N 403.508 1.495 30 10 HDEE COCCN(C)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1749772889 LDHUJBLXHQBKOT-LJQANCHMSA-N 417.445 1.873 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCc2ccco2)CC1 1750386568 JNVWTFTWSWXAAK-UHFFFAOYSA-N 411.466 1.050 30 10 HDEE CC1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1751290986 JWCGLCYBOBDVHB-FQEVSTJZSA-N 415.519 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1760109883 GZJYDLZHTRGJNM-AWEZNQCLSA-N 417.539 1.222 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1760110912 ULLLFSCSSDEZRZ-CQSZACIVSA-N 400.508 1.444 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1760184161 WDAJZMMOKUWDQW-OAHLLOKOSA-N 421.548 1.153 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760328198 RXAUDGCFKDHTCK-PLMTUMEDSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCCN(c2nc(C)ns2)CC1 1760524235 SQKJNYWTJJPGIK-UHFFFAOYSA-N 416.555 1.724 30 10 HDEE CC(=O)NCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1760676620 UGLZBLFBFJVHNL-ZDUSSCGKSA-N 422.287 1.291 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761580458 XJZOSEXTMZVQIZ-UHFFFAOYSA-N 421.461 1.843 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1762372055 HOCMOIXLAZGTDX-INIZCTEOSA-N 416.489 1.825 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)CCC1 1765617755 KNFVMMHIKZOIQT-IKGGRYGDSA-N 418.542 1.904 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1O 1768649605 HHCVQAFZHXJFAL-UHFFFAOYSA-N 422.493 1.589 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1769271938 GURKGUPAWQZWSF-QGZVFWFLSA-N 400.458 1.906 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1772567393 FQXHNPZGDZUYDB-QGZVFWFLSA-N 402.543 1.981 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cc[nH]n1)C(=O)ON1C(=O)c2ccccc2C1=O 1772787473 JPYJYECGQVYDHF-AWEZNQCLSA-N 400.391 1.600 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C=NN=C2[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789822 XZCITLTXUSQWNL-SMDDNHRTSA-N 412.402 1.664 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)cn1 1850446766 IITQHMRWBDOCSW-GOSISDBHSA-N 417.517 1.726 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(OC)cc1 1852493087 MXUQTFXZGQUIRP-UHFFFAOYSA-N 418.461 1.462 30 10 HDEE O=C([C@@H]1CCC(=O)N1Cc1ccco1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853332427 SDOSRAHXZDGXLK-NSHDSACASA-N 407.370 1.641 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3CCOC3=O)C(=O)C23CCCCC3)cc1 1853607414 CZODPGBVMDVIQW-UHFFFAOYSA-N 410.474 1.884 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCC[C@H](N4CCC(C#N)CC4)C3=O)CC2)nn1 1853735144 OUOOJGUPBQPZQL-IBGZPJMESA-N 410.522 1.755 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)CCS(=O)(=O)c3ccccc3)C2)CC1 1853746809 NTBSGUVGDRMLAT-SFHVURJKSA-N 417.531 1.851 30 10 HDEE Cc1cnc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)cn1 1854201466 AUVDQKQYFCGNLH-LJQANCHMSA-N 404.474 1.216 30 10 HDEE COC1CCN(C2CN([C@H]3CCCCN(C(=O)c4ccnc(C#N)c4)C3=O)C2)CC1 1854235920 WGNPGVUSBMERID-FQEVSTJZSA-N 411.506 1.270 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)[C@@H]3CCCOC3)C2=O)CC1 1854862943 YXFWFFXZXDKYAP-MOPGFXCFSA-N 412.490 1.598 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC(Cn4cccn4)CC3)CCC2=O)ccn1 1855745287 KPSILXOSXKEYKA-GOSISDBHSA-N 406.490 1.941 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CCN(CCC#N)C(C)(C)C3=O)ccc2=O)cc1 1855878593 GCVWMQHCNOHTGM-UHFFFAOYSA-N 407.474 1.577 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2)CC1 1855905921 JTBZODDLDDBPBI-DLBZAZTESA-N 412.465 1.789 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(Cc4cccnc4)CC3)CC2=O)ccn1 1856644021 SMNDPJMJZIWYSQ-SFHVURJKSA-N 404.474 1.155 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(C)C)cc3)C2)CC1=O 1856905840 XYCVGUBONNAANO-IAGOWNOFSA-N 422.503 1.692 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C(=O)CCN(CCC#N)c2ccccc21 1856938081 KXXMNEMUNBLANE-KRWDZBQOSA-N 404.492 1.484 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857252250 AVGHWKZLZBYHOO-GOSISDBHSA-N 421.494 1.743 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc(OC)c(OC)cc1OC 1864868595 VDNJELZZHPNGSI-QGZVFWFLSA-N 414.462 1.751 30 10 HDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCc1ccc(O)cc1 1869933708 MWVXQLIIDGSNQB-INIZCTEOSA-N 419.528 1.869 30 10 HDEE C#CCOc1cn(CCOc2ccc(OC)cc2)c(CN(CC)CCO)cc1=O 1870562658 QDOKJTPSBCGFHZ-UHFFFAOYSA-N 400.475 1.762 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1nc(C)c(C(C)=O)s1 1872684492 TVLAACSPPODIEC-UHFFFAOYSA-N 405.436 1.869 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(CCC)CCC)ncnc21 1873562189 RBRQWLORYUWSGN-UHFFFAOYSA-N 414.554 1.994 30 10 HDEE C=CCn1c(C(=O)NCc2ccco2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593241 KJHRCUYAIWWTPT-UHFFFAOYSA-N 408.462 1.809 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@@H]2CC(=O)N(C)C2)[C@H]1c1ccc(C#N)cc1 1889218407 BZHXMESZCAPBHE-LZQZEXGQSA-N 400.504 1.299 30 10 HDEE CCN(CC)CC#CCNC(=O)Cn1nc(-c2cc(OC)ccc2OC)ccc1=O 1890904273 NNTKFCDWBJROHN-UHFFFAOYSA-N 412.490 1.389 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)NC(=O)OC(C)(C)C 1901479296 BIASTQZWWCHCHC-KGLIPLIRSA-N 401.504 1.848 30 10 HDEE C#CC[C@@](C)(CO)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2084846491 AHGUJEBRVLDPHN-HXUWFJFHSA-N 406.504 1.394 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N=c1cnc(I)c[nH]1 2145530002 ZDKLWCZLSHTVHD-UHFFFAOYSA-N 404.164 1.315 30 10 HDEE COc1sccc1S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2152121104 GLUOXLSGCZOEPA-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CC1(C)OB(c2cnc(N3CC[C@H](CS(C)(=O)=O)C3)c(Cl)c2)OC1(C)C 2172715447 KQOLLIFUBXJEJG-LBPRGKRZSA-N 400.737 1.905 30 10 HDEE CN(C)[S@](=O)(=NCCOC(C)(C)C#N)N1CCN(C(=O)OC(C)(C)C)CC1 2174563738 AKZWOJOWUOFINU-HHHXNRCGSA-N 403.549 1.717 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)COC1(C)C 2174779801 NDKURESGMUFDHO-CQSZACIVSA-N 402.517 1.428 30 10 HDEE CC(C)(C)OC(=O)NCC1CCS(=O)(=NS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174787703 XCSALZROWSBYCD-ILNWNBEUSA-N 420.557 1.479 30 10 HDEE CCOC(=O)CCCS(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2178719740 YFYOHIYPAOMVRL-UHFFFAOYSA-N 404.319 1.527 30 10 HDEE C=CC1(NS(=O)(=O)c2ccc(C(=O)O)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2196123091 XKMLFTMLZZOXPH-UHFFFAOYSA-N 400.428 1.978 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)COc1ccc(S(N)(=O)=O)cc1C(=O)O 2196922232 HRVXQGMNLOQFCZ-UHFFFAOYSA-N 400.453 1.882 30 10 HDEE CC(C)(C)OC(=O)Nc1cnn(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c1 2243674139 FVFSNOLQGBZMIR-UHFFFAOYSA-N 404.276 1.981 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247913824 BBROWCWZZDDZLL-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2ccccc2C(=O)N(Cc2ccccc2)CC2(O)CNC2)OC1(C)C 2255594142 HPWJYRGCQOOASK-UHFFFAOYSA-N 422.334 1.963 30 10 HDEE C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267369180 SXAWGNBXFBYGPM-JNDILOIQSA-N 405.372 1.189 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)c1csnn1 2267370047 GEEOWSVJBPBYOO-SECBINFHSA-N 401.344 1.938 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)CCN)sc1B1OC(C)(C)C(C)(C)O1 2267708884 SAAJSUOMXQSMTR-DEOSSOPVSA-N 408.376 1.101 30 10 HDEE C[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCS1(=O)=O 2281947244 ZZVFAGZJGUDIMY-SNVBAGLBSA-N 419.761 1.960 30 10 HDEE Cc1c(Cl)cc(C(=O)NCCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2282035068 PWBJVJDMXYCCTL-UHFFFAOYSA-N 401.721 1.722 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4C[C@]4(O)C3)cc2Cl)OC1(C)C 2282312001 PRWHZONHPFPBEG-HWPZZCPQSA-N 419.761 1.846 30 10 HDEE CC(C)(CS(C)(=O)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333783 SQESCKNBBMRZSD-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2282347071 SJMDTTLROHRUCK-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC(O)CC3)ccc2Cl)OC1(C)C 2282498896 KWMFIGLQDDQRPL-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE C[C@H]1C[C@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503123 VFNXZKVHRTYDQS-NWDGAFQWSA-N 402.347 1.117 30 10 HDEE COCC(COC)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282825141 HHVIXEXETUBCNZ-UHFFFAOYSA-N 405.347 1.295 30 10 HDEE COC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282830380 SRLZDLQIKMQXBJ-RISCZKNCSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@](C)(CO)C(F)F)OC1(C)C 2282840426 GTKJAOMCFCYTHV-HNNXBMFYSA-N 411.301 1.483 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@@H]3CCN3)c(Cl)c2)OC1(C)C 2282866481 KIYNSTUELNVVLF-NSHDSACASA-N 421.155 1.933 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](F)[C@H](C(=O)O)C3)s2)OC1(C)C 2284412718 XJSCOLFMTTYNID-NXEZZACHSA-N 405.278 1.091 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@H](C(=O)O)C3)sc2Cl)OC1(C)C 2284436998 KYFXWOAPUVJLLM-JTQLQIEISA-N 401.677 1.626 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@@H]2OCCC[C@@H]21 2288372446 YTHUIPCPEKHDCC-KSWSHJMHSA-N 402.513 1.727 30 10 HDEE CC#CC(=O)N1CCO[C@@H](c2cc(C(=O)N3CCN(C)CC3)c3ccccc3n2)C1 2296569364 FANIMESNTGBMDJ-OAQYLSRUSA-N 406.486 1.546 30 10 HDEE Nn1c(SCC(=O)Nc2nccs2)n[nH]c1=NN=CC=Cc1ccccc1 2313701642 NQVQGBRRQRTIIN-UHFFFAOYSA-N 400.493 1.712 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2317413891 UDOGUOISMQRUIP-YLJYHZDGSA-N 408.520 1.175 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccccc2[N+](=O)[O-])cc1 2325701346 SQBGGWRVJDYCEZ-UHFFFAOYSA-N 417.399 1.641 30 10 HDEE COCc1nnc(SCCO)n1N=Cc1cc(Br)cc(OC)c1O 2331613014 HYORIDGOAFHLPZ-UHFFFAOYSA-N 417.285 1.868 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CCC1 2342073855 HPFVEKQRJCWBRL-SFHVURJKSA-N 420.531 1.448 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCC[C@@H](O)[C@H]3O)sc2Cl)OC1(C)C 2359267974 MXAKQPCCHCKKAR-LOWVWBTDSA-N 401.721 1.705 30 10 HDEE C#C[C@@H](C)N1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364057260 ZCSFIOQNDPBIHI-SECBINFHSA-N 404.106 1.725 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@](O)(C#CC(C)(C)S(C)(=O)=O)CO2 2365189314 TWPGZFXLKIWFFQ-GOSISDBHSA-N 401.525 1.734 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2365202430 NYGMQSWGMNOALN-LSDHHAIUSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](CC)(COC)NC(=O)OC(C)(C)C 2367792484 OZEMPHCTTMWIGI-KXBFYZLASA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367797313 UMEWEWIRMXDLEY-HOTGVXAUSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367803773 NEPGXLOPRAXGLG-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CC[C@@H]1CNC(=O)OC(C)(C)C 2367807455 TUIWMARCZXHXRQ-SPYBWZPUSA-N 400.541 1.211 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(CC(=O)Nc2ccc(Cl)cn2)CC1 15445377 MPNJCMYJPOGSBF-UHFFFAOYSA-N 419.894 1.552 30 10 HDEE COC1=CC[C@@H]2C[C@@H]3O[C@H](OC)C[C@H]4[C@]3(C)[C@H]([C@@H](O)[C@@H](OC)[C@@]4(C)O)[C@]2(C)C1=O 257396987 CMAMLOVJSUVTPI-SOYGXGFGSA-N 410.507 1.656 30 10 HDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C#N)c1CC 301612073 FNBUVJQVBZFZJO-UHFFFAOYSA-N 410.503 1.856 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3O)CC2)c1C#N 436889952 BPJOHXYMHHNZKH-GOSISDBHSA-N 422.489 1.259 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447787234 PQLHQCPDJCPVJK-UHFFFAOYSA-N 417.494 1.236 30 10 HDEE CN(C)C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 464935170 XLYMCOBPBCLUJX-SFHVURJKSA-N 404.536 1.512 30 10 HDEE CCO[C@H]1C[C@H](O)C12CCN(CC#CCN1CCC3(CC1)[C@@H](O)C[C@H]3OCC)CC2 472607116 VXFVDWPNWXISAP-MYGLTJDJSA-N 420.594 1.494 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473451201 BXCWTOGCNUYLLO-SJLPKXTDSA-N 413.455 1.572 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CC[C@@H](NC(N)=O)C2)cc1F 476497922 XUWDFXUQZNMUEC-CQSZACIVSA-N 411.393 1.697 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)O)cc1 485808801 AITOCWAFKICSBU-MRXNPFEDSA-N 420.462 1.963 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2)n(C)n1 490344940 KQSYTUIQOPNTKE-QZTJIDSGSA-N 409.494 1.827 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(C(=O)CC#N)CC2)cc1 503643191 ONJIQFYTWQWGCY-UHFFFAOYSA-N 420.535 1.234 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2csc(S(N)(=O)=O)c2)cc1 503761741 GFEYFVQSQHJHFH-CYBMUJFWSA-N 422.513 1.421 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC(=O)NC3CCCCC3)C2=O)cc1 504918666 LHQKSEAQUCQHRZ-QGZVFWFLSA-N 411.462 1.328 30 10 HDEE CC[C@H]1C[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 513724323 JVTABNIXHQXKRO-WMZOPIPTSA-N 405.520 1.986 30 10 HDEE CCN1CC[C@H](N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H](C)C1 525029441 SLQRBIHTKMQMFG-IPELMVKDSA-N 411.506 1.952 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 533138972 DZGAXGQZTQVZHS-MRXNPFEDSA-N 415.519 1.015 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2cc(OC)ccc2OC)CC1 533989076 ZBYUYLSTUOLEQO-UHFFFAOYSA-N 404.511 1.266 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CSCC(=O)Nc2ccc(F)cc2)c1C#N 535505164 NBTOQNGHHQXWDN-UHFFFAOYSA-N 404.471 1.883 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc([C@]2(C)NC(=O)NC2=O)cc1 541873559 VPMVHXYCAPFYDC-UXHICEINSA-N 400.435 1.941 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 543110930 LQPMMIBIEVPOJC-KDOFPFPSSA-N 404.833 1.809 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 555258694 JHXQJNTVEONFPR-UHFFFAOYSA-N 414.558 1.665 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 558456274 DEBXDAXJJLYHPY-QUCCMNQESA-N 422.533 1.883 30 10 HDEE N#Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C(F)(F)F)c1 571132061 VUBDUVKNDOSPJG-JKSUJKDBSA-N 403.426 1.164 30 10 HDEE CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)c1 585227253 VWQAMBUALSJZIN-UHFFFAOYSA-N 421.461 1.278 30 10 HDEE N#Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cn1 609660329 YSXUZNLBLZAHPF-QGZVFWFLSA-N 400.460 1.341 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669804618 JNDKQWZKZICQSQ-INIZCTEOSA-N 406.531 1.914 30 10 HDEE CCN1CC[C@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 730935321 COJDZILMIPLAJT-MRXNPFEDSA-N 406.552 1.744 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)NCCC(N)=O)cc2C1=O 731190960 SCVXPFXPUQVXLK-UHFFFAOYSA-N 420.425 1.326 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CCN1C1CC1 732697854 MTGKTJQXODBEMT-GOSISDBHSA-N 403.508 1.125 30 10 HDEE CCN1CCN(c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)cc2F)CC1 741340960 FMDLFDXJFAYTIV-OAQYLSRUSA-N 402.470 1.933 30 10 HDEE CN(C[C@@H]1CCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(=O)OC(C)(C)C 745812835 DSERHCZPXMBMII-VUAZUDAXSA-N 421.498 1.554 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C[C@H](c2ccc(F)cc2)O1 745814446 ZNSNLLXQHGUDKR-GPLPZEECSA-N 402.426 1.824 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1F 748808106 BKELXODZLKIFLJ-NSHDSACASA-N 410.286 1.399 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750424759 AVVHQZPOVWIEJS-NSHDSACASA-N 421.255 1.590 30 10 HDEE Cn1ccnc1[C@](O)(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(F)(F)F 751169975 HOSIHLNCBONMEZ-CQSZACIVSA-N 406.361 1.549 30 10 HDEE C#C[C@@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 754372411 YRGZPNVDBGSJOE-LBPRGKRZSA-N 415.309 1.612 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CCCC1 757212968 ZHVOUWFVRUHHRW-GOSISDBHSA-N 412.538 1.869 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 757851721 QBRZEYPDJUFBKN-GOSISDBHSA-N 408.543 1.920 30 10 HDEE CCCCS(=O)(=O)c1ccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 765338836 FCMLBYCBHXQBMS-HTXNQAPBSA-N 405.476 1.517 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)OCC(=O)N1CCOC[C@H]1C1CC1 766078383 BLEQOYYRVJAYQC-SFHVURJKSA-N 411.462 1.331 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1OCC[C@@H]2O 768470925 ORYRAHZMTXWFDA-SJCJKPOMSA-N 401.444 1.680 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC(Oc3ccnc(C(N)=O)c3)CC2)c1 772346589 OIEOKWOIYPDCJT-UHFFFAOYSA-N 414.487 1.369 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 773328040 FMQKYIQJSQJZLN-OAQYLSRUSA-N 424.545 1.192 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774032455 LTNMCDAJYOSPJX-CQSZACIVSA-N 417.409 1.633 30 10 HDEE C#CCN(C(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 774148517 NSTUVSIEUZFHDM-SFHVURJKSA-N 400.504 1.821 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 788114371 PAVLJNLMPFZLME-MRXNPFEDSA-N 416.526 1.896 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)CC1 808789979 RUQXQDHEDCVLCT-OKZBNKHCSA-N 407.559 1.666 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 809920863 FRIRSAZIWZMWNI-GJZGRUSLSA-N 404.471 1.501 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3nc(C)sc3c2)CC1 813669444 LEDSHVNMKLKPGY-UHFFFAOYSA-N 406.533 1.051 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 813798861 DTDCWZTWCIDQDQ-KRWDZBQOSA-N 418.538 1.947 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCN2C)ccc1F 820459397 QVVMPKNINXEVMR-DLBZAZTESA-N 411.499 1.225 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1)C(=O)OCC 1133156828 AAOWYYNORAGRKP-KRWDZBQOSA-N 409.508 1.496 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C(F)(F)c2ccccc2C#N)c1 1136223351 KMFWTUIVUCIZSZ-UHFFFAOYSA-N 423.397 1.740 30 10 HDEE C[C@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1137497636 PFGLEBYYQFQTFR-VBKZILBWSA-N 414.506 1.514 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CCc3nncn3CC2)nn(-c2ccccc2)c1N 1141514983 KPJXYOGQMIUCJC-HNNXBMFYSA-N 404.478 1.619 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)OCC)cc2Cl)CC1 1144028712 VYCBMOOYDYJPFS-UHFFFAOYSA-N 420.897 1.806 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCC2(CS(C)(=O)=O)CC2)CC1 1147146052 GTVVXHKWGIEXLJ-UHFFFAOYSA-N 412.552 1.968 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@]2(C)C(=O)OC(C)(C)C)c1 1148289404 ZYKWTNTXGFOCRA-FQEVSTJZSA-N 406.504 1.935 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3nc4c(s3)CCC4)C2)C1=O 1155685239 WLLHPPDARLJHOH-LBPRGKRZSA-N 402.476 1.315 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)C2)nc1 1156247135 GOVDLQCNGNHBFW-OAHLLOKOSA-N 405.418 1.250 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)c(=O)nc1O 1157485467 OFPKMZFMNMVIFJ-UHFFFAOYSA-N 421.501 1.824 30 10 HDEE COC[C@@H](C)n1c(SCC(=O)N[C@H]2CCCN(O)C2=O)nnc1-c1ccccc1 1159642205 VOMUBHINRXYCLQ-HIFRSBDPSA-N 419.507 1.741 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC(=O)N(C)C 1165594699 HLSGNYAHOOUUFD-CQSZACIVSA-N 410.496 1.098 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)NC3CCN(S(N)(=O)=O)CC3)o2)cc1 1168565745 FMNKEKONQVNQOB-UHFFFAOYSA-N 404.448 1.128 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC(c2ccc(C#N)cn2)CC1 1174872216 IWUGNJPNHRNDNE-UHFFFAOYSA-N 411.428 1.612 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(-c3ccccn3)n2)c1 1176113425 AWOTZUVAODHTPG-UHFFFAOYSA-N 407.455 1.380 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CCO2)cc1 1179405337 PKOSHAZKHNLZHX-SFHVURJKSA-N 403.435 1.576 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2CCCOc2cccc(C#N)c2)C1 1197498457 ZSZVWSOJIAUACB-UHFFFAOYSA-N 400.479 1.748 30 10 HDEE N#Cc1ccsc1NC(=O)CN1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1198731585 JHWCFPCOKYDQDP-RISCZKNCSA-N 407.439 2.000 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)n1 1209757548 SXZGHJOMEGDRHM-UHFFFAOYSA-N 424.461 1.720 30 10 HDEE Cn1cc(C[C@H](CO)CNS(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)cn1 1212343556 FMEYXXHAEFDQBK-LBPRGKRZSA-N 402.398 1.440 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(Cc2nc([C@H](C)OC)no2)CC1)C1CCOCC1 1231332879 UWAPJFQTVJWQAK-DOTOQJQBSA-N 405.499 1.423 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3c(Cl)cccc3Cl)cc2S1(=O)=O 1267479554 MMNBCAWIOWPRLW-LBPRGKRZSA-N 414.274 1.819 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 1271757365 GZADPMZSOAHMSR-KRWDZBQOSA-N 409.284 1.525 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)[C@@H]1COC[C@@H]12 1281735639 YABUYUDXQBFFRO-OSFNYYGPSA-N 412.530 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1286281174 FRXPQNHKIAEWTD-HNNXBMFYSA-N 421.465 1.221 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2ccnn2C)C1 1286349341 IAFASWOBDPWXNT-IRXDYDNUSA-N 416.551 1.711 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1286349373 IHIRZGXXZDAFFY-SFHVURJKSA-N 416.526 1.160 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286711147 KVCYRELAUXHYSR-QGZVFWFLSA-N 414.514 1.312 30 10 HDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1290416916 ZJFSXNVWKKEJGB-UHFFFAOYSA-N 404.448 1.691 30 10 HDEE N#CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1293713008 NKPGWGYSJLLWCQ-LBPRGKRZSA-N 402.929 1.222 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1295808040 AZOUMXNDKIXKPR-CQSZACIVSA-N 402.538 1.056 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1297437448 YRVYEHBBERBSLK-JKSUJKDBSA-N 402.499 1.555 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1300313608 LVBIBPSWDCTTHX-OAHLLOKOSA-N 405.499 1.501 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N(C)C 1300321429 MFAMIMZEBSFEFC-MRXNPFEDSA-N 405.524 1.515 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1300432048 RBUUWRLFQHUUTO-IBGZPJMESA-N 410.540 1.213 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1300508819 ABESHLLPSVCEKO-ZDUSSCGKSA-N 406.899 1.058 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC(C)C)CC1 1300725773 JVXRPCWZQKUGDG-IBGZPJMESA-N 417.554 1.953 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H](OC)C1 1300988614 HSUQGHCZUHNZNG-GVDBMIGSSA-N 412.556 1.634 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CCNC(=O)CCN/C(O)=C1/N=CC=CC1=O 1303499936 PKFZHRCAJFBQRV-NOJWBWKLSA-N 420.510 1.912 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1OCCC1(C)C 1303824730 ZTJJAROTQFNVJE-ZFWWWQNUSA-N 410.544 1.443 30 10 HDEE Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)n1 1304615249 BKFFUOVVOQIWPH-TZMCWYRMSA-N 403.512 1.714 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)c1C#N 1306285957 LJROLTLVUYFCCY-LJQANCHMSA-N 406.487 1.398 30 10 HDEE N#Cc1cn(C2CN(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C2)c(=O)nc1O 1307167288 VVTIXADNFSBOEY-UHFFFAOYSA-N 400.338 1.175 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)Nc1cccc(C#N)n1 1310922950 CNMXFBVWCFNMTC-UHFFFAOYSA-N 401.448 1.841 30 10 HDEE CCn1cc(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1313840390 RXJNICCWWDZSIQ-HTXNQAPBSA-N 410.482 1.535 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1=CCCOC1 1315652894 BROJLTOXCHEZGA-QGZVFWFLSA-N 411.462 1.941 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1(C)C 1315716262 HOQHLURIHFJVGW-INIZCTEOSA-N 403.508 1.723 30 10 HDEE C#CCN(C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)[C@H]1CCS(=O)(=O)C1 1318302009 KFGDKNBCZRDYGJ-VIFPVBQESA-N 402.350 1.815 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1sccc1S(=O)(=O)C(F)F 1318493892 BZOSIWPHBGPXBZ-BENRWUELSA-N 405.404 1.001 30 10 HDEE CC1CCN(C(=O)C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)CC1 1318973353 ABOFUVMBHAFQNX-FMQUCBEESA-N 402.495 1.400 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CN(CC(C)C)CCO1 1359024817 WPBRNZSOBOVQHJ-VQTJNVASSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCNc2ccccn2)CC1 1359033506 FBWYEBJSJPQFJJ-UHFFFAOYSA-N 402.506 1.993 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)OC(C)(C)C)CC1 1359040203 LSBTXVHALBWIHM-MRXNPFEDSA-N 404.515 1.410 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCSCC2)CC1 1359044873 QSLUZLMZHKZVSK-UHFFFAOYSA-N 416.595 1.560 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)C 1359063110 GSAQDDLGNVXSNC-OAQYLSRUSA-N 409.494 1.690 30 10 HDEE C=CCCCCn1c(Nc2ccn(C)n2)nnc1[C@@H]1CN(S(C)(=O)=O)CCO1 1359206775 OSFKLPRSRCUMFK-AWEZNQCLSA-N 409.516 1.444 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1359297704 ZLFZVQYJVFJIPY-MRXNPFEDSA-N 408.510 1.833 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C)CC1 1359300760 JVJMPNWFAROGAE-GOSISDBHSA-N 410.522 1.719 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccoc1 1360237464 GIQSYEHAYOWVFG-UHFFFAOYSA-N 420.477 1.651 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 1444744517 GXZRIVTWUBSJGH-KRWDZBQOSA-N 400.385 1.056 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1 1455538584 HBHHMMRKTRCDAH-OAHLLOKOSA-N 407.492 1.337 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1455983208 IGXQRODDLJKHQD-CYBMUJFWSA-N 407.370 1.087 30 10 HDEE CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C)C1 1465797901 AYTZTMBGJSKPJU-OOYBUDEJSA-N 404.511 1.852 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C 1466322958 YADMYTMYAPFFHG-UHFFFAOYSA-N 412.538 1.944 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NCC23COCCN2CCOC3)c1 1470674147 LRFUSILWTJYBRM-UHFFFAOYSA-N 407.470 1.968 30 10 HDEE N#Cc1ccc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1470785730 GWPCLNBCPQSHBC-UHFFFAOYSA-N 416.478 1.956 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 1471832610 GVWFPXAKUCTAKR-GUOCTKQSSA-N 415.559 1.913 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1476109962 PGIYUNNLXDVHRZ-GOSISDBHSA-N 415.538 1.447 30 10 HDEE CC(C)C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1478858851 YHGLUWUWGMWDNH-ZRGWGRIASA-N 413.540 1.570 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1503213565 HDZYVCHXVDAQQP-SFHVURJKSA-N 412.494 1.286 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CC[C@@](F)(C#N)C1 1503284571 VCOISSBUHJAAFH-MRXNPFEDSA-N 412.516 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1507545527 FZRQIYUVNZYELO-QKLQHJQFSA-N 405.568 1.795 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1507622823 MFKFEXPKDJBPSE-HOTGVXAUSA-N 405.528 1.100 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC12CCC(CC1)C2 1507660823 ZSWGMPFQJLTJCJ-VXESANQCSA-N 403.552 1.932 30 10 HDEE C#CCSCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1507758050 HCGZFRBAAWKVTC-HNNXBMFYSA-N 418.567 1.709 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1507774458 GCYNWXNJVFGDIY-BETUJISGSA-N 414.304 1.273 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)N2CCOCC2)CC1 1507876542 LFSKQQYHRHJNSI-UHFFFAOYSA-N 404.515 1.212 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCCCC2)CC1 1508091236 SYIWEOSRMVCWQC-SFHVURJKSA-N 416.570 1.929 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)C1 1508123436 HZCOLXYONMFQLA-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1508145298 LHWDUZOSMRXMJD-UHFFFAOYSA-N 418.445 1.677 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1CCCCO1 1510147958 FPQUABVRSDIKNW-JYJNAYRXSA-N 412.560 1.976 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCCN1CCOCC1 1515232202 FPWMQSKKCGOOKC-FZKQIMNGSA-N 408.449 1.429 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1517325883 FXDLZRQBQJSJNY-UHFFFAOYSA-N 423.521 1.111 30 10 HDEE COC[C@H](F)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518759132 SVZPBGPAUHOGFG-QGZVFWFLSA-N 423.452 1.783 30 10 HDEE COC[C@H](F)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1518765283 MQSPUAQRPXWHKQ-AEFFLSMTSA-N 416.505 1.301 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1F 1519332319 YQEXDPYPRIXFEC-RHSMWYFYSA-N 419.457 1.927 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1535463739 CATGKJJUGROIRN-GOEBONIOSA-N 402.882 1.891 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1539116976 OVKAXXCNHRHIHS-HOTGVXAUSA-N 419.493 1.019 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)N[C@@H](C)CC 1539155103 RICJJEGTQGVESP-HNNXBMFYSA-N 417.535 1.723 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCn1ccnc1C 1539232595 JFWHPLBUKWPDBR-UHFFFAOYSA-N 402.462 1.593 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1539340761 QJIBDTXWHDPCLX-KRWDZBQOSA-N 411.510 1.353 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](COC)C1 1539519097 AWGIFGBRANWFDP-WMZOPIPTSA-N 401.536 1.870 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)c1nc(S(N)(=O)=O)c2ccccn12 1540494430 PDWBJPVAMLAEQI-UHFFFAOYSA-N 415.500 1.517 30 10 HDEE CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1541361331 DARURTVDQJJVJJ-ZPHPHTNESA-N 415.542 1.848 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2c[nH]c3cccc(C#N)c23)cc1 1543061308 PXKJIWXZKFMVFY-UHFFFAOYSA-N 412.471 1.894 30 10 HDEE COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1555428123 BRDBOHJFXBJWKX-WOJBJXKFSA-N 404.515 1.318 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1COc2ccccc2O1 1555557421 STHONMUATYTFIR-MRXNPFEDSA-N 421.461 1.942 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC2CC2)C1 1555984692 AFLKDAXXSDDLOJ-FQEVSTJZSA-N 400.433 1.976 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(c2cccc(F)c2F)CC1 1556670879 LEGDKXFBHNXBSJ-VXPUYCOJSA-N 404.417 1.920 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1556979677 HVXKQMXRJRDYNH-CVEARBPZSA-N 410.511 1.825 30 10 HDEE CN(C)C(=O)OCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1557394780 MNCGYQSDBSPQNK-UHFFFAOYSA-N 401.423 1.837 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1557720774 DGPMJUJNFDTPIT-AWEZNQCLSA-N 409.471 1.420 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@@H]2CC2CCOCC2)cc1S(=O)(=O)NCC#N 1558696512 KIDBZBGLCGKBKD-SFHVURJKSA-N 421.519 1.455 30 10 HDEE C#CCC1(O)CCN(Cc2nc3ccc(S(=O)(=O)N(CC)CC)cc3[nH]2)CC1 1560099044 ZQOQVAGUDAUFEE-UHFFFAOYSA-N 404.536 1.944 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 1561671378 CCGUKXCLFLZRMB-ZDUSSCGKSA-N 419.381 1.019 30 10 HDEE C=CCN(C(=O)Nc1cnn(C)c1I)[C@H]1CCS(=O)(=O)C1 1563298033 HNTCPXSVCGARPC-VIFPVBQESA-N 424.264 1.232 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 1585305031 IUFIIBJKIALTKO-IRXDYDNUSA-N 404.532 1.954 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1585487319 HFPMDMXXCCTAJV-UHFFFAOYSA-N 414.506 1.280 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1587798161 FBWHDSQNCKXUPF-MSOLQXFVSA-N 400.527 1.084 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1587851671 MGQPTWHWKOFUHM-IAGOWNOFSA-N 408.510 1.538 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588387472 URMUHHOEAJFHIU-HZPDHXFCSA-N 415.460 1.895 30 10 HDEE C#CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1589125763 QIUPRULGNYXSNM-OXJNMPFZSA-N 421.567 1.352 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCN(C)C1 1589652010 MBSVQZIKMCLDLL-FQEVSTJZSA-N 402.499 1.475 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)c1 1593610710 ADKPUJJAKFEXIC-QGZVFWFLSA-N 408.520 1.857 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN2CCCO)CC1 1594229377 MBWSGMVSWZZVDQ-QZTJIDSGSA-N 402.543 1.478 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(NC(=O)NC2CCCCC2)CC1 1595490458 RWULPZDKNCRKCL-UHFFFAOYSA-N 403.531 1.489 30 10 HDEE N#Cc1cn(CC(=O)N2CCC[C@@H](CNc3ccc(Cl)cc3)C2)c(=O)nc1O 1597045742 TWNVMRBZYQRRBJ-ZDUSSCGKSA-N 401.854 1.825 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H]3CCN(C)[C@@H]3C)nnc12 1611662749 UUUPTWDRKMNXEW-UKRRQHHQSA-N 412.519 1.531 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1611778844 RSDLOZBZVDBOMH-INIZCTEOSA-N 413.526 1.559 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)CC1 1612809999 FSUXALCQNBCDTK-CYBMUJFWSA-N 419.576 1.714 30 10 HDEE Cc1ccc(NC(=O)CSCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1618172066 YQVACZXIBCPIMT-KBXCAEBGSA-N 407.517 1.064 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1618436823 GVLFNQYNRFELER-KDOFPFPSSA-N 406.464 1.758 30 10 HDEE COCCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1620067405 JOBFBQUCLIORPB-UHFFFAOYSA-N 412.494 1.586 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 1624820089 WHHRGRXSLPIZBE-HOCLYGCPSA-N 406.504 1.980 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C#N 1627867842 TUQSTHGGKNNSHP-ROUUACIJSA-N 402.495 1.763 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1cc(F)ccc1F 1628366474 HYLDETDNMQFQBZ-CQSZACIVSA-N 411.386 1.486 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@](CO)(OC)C1 1628839392 SKWWMUZIJVLEKN-JXFKEZNVSA-N 423.535 1.284 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1630751729 TYUJKONKDCNLAF-FGTMMUONSA-N 421.538 1.779 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C)(N3CCOCC3)CC2)c1 1631734365 RJICXHVABKJRLL-UHFFFAOYSA-N 404.532 1.811 30 10 HDEE CCOC(=O)[C@](C)(O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1632408964 QAEQJXRJQXDXQW-QGZVFWFLSA-N 410.268 1.187 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)n1 1634601841 UYKGTXSDFCLBMH-UHFFFAOYSA-N 419.526 1.044 30 10 HDEE N#C[C@]12CN(C(=O)NCCOc3ccc(F)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1635417754 UZTGPZSOQXYVSL-MEDUHNTESA-N 401.847 1.438 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C2(O)CCC2)CC1 1636318533 RSOCBCMXADCYLO-INIZCTEOSA-N 419.547 1.951 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](Cc3ccncc3)C(=O)OC)ccc2c1=O 1636429316 DCQYFUGMEIBDIR-KRWDZBQOSA-N 424.482 1.780 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)NCC#C[C@H]2CCCCO2)ccc1Cl 1637185424 CDSPBDCHQHRKPK-CQSZACIVSA-N 400.884 1.824 30 10 HDEE N#C[C@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCc2ccccc2C1 1638848142 JWNNNXUQFDAZHZ-GCJKJVERSA-N 424.888 1.881 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H]1COc1ccc(F)cc1)c1cc[nH]n1 1639578951 PAPGIKGASKTABV-HNNXBMFYSA-N 418.425 1.903 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1 1641040054 CTRPSRAAIVVSBF-UHFFFAOYSA-N 412.458 1.352 30 10 HDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1643089940 MPHPWHAFWHRXKL-YCPHGPKFSA-N 404.898 1.478 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)nn1 1644557674 BOJYBYNKJYNKCH-HNNXBMFYSA-N 417.510 1.649 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H]([C@H]4CCCCO4)C3)CC2)o1 1647783794 GHHVXEIXIUFLPB-IEBWSBKVSA-N 401.511 1.784 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1CCC(NC(=O)c2ccccc2C)CC1 1648077329 VFKIWGRQMDWKTD-UHFFFAOYSA-N 400.479 1.105 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)o1 1652332368 VJQNAHBJSFQCOE-AWEZNQCLSA-N 403.464 1.513 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](C)N(CCO)C[C@@H]2C)n(Cc2ccco2)c1C 1654775873 YOUNVBNOIGXKKV-CVEARBPZSA-N 413.522 1.943 30 10 HDEE Cc1csc(C[C@@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1655686695 IXXHAVHOGANDJT-INIZCTEOSA-N 414.535 1.833 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1 1656234852 WTIYPZVQWBAEMX-ZDUSSCGKSA-N 404.282 1.942 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)CC1 1660694293 OSSFEEMJDPQRPU-SXLOBPIMSA-N 418.582 1.778 30 10 HDEE COC(=O)C1CCN(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1665380929 GMDRODBAFXRYCK-UHFFFAOYSA-N 406.508 1.246 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccnc(F)c3)CC2)c1 1669286271 DVZFRCZZSCYXKI-UHFFFAOYSA-N 404.467 1.647 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1673922348 ICDANMGNFNHFSL-QZTJIDSGSA-N 405.495 1.151 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 1676031136 SRZQCPCMWKQURX-VQTJNVASSA-N 404.942 1.798 30 10 HDEE C#CC1(O)CCN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 1676712024 SGUXSYJQNGXSOX-UHFFFAOYSA-N 404.898 1.158 30 10 HDEE C#CCSCCNC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1679159916 VVHYJWONPLQADW-OAHLLOKOSA-N 409.552 1.717 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1683129987 GTWLNJNZKIUBEJ-ZDUSSCGKSA-N 419.956 1.846 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCSC3(CC(C(=O)OC)C3)C2)CC1 1685662839 DBGWZEMUVLYYES-LFDOHDQPSA-N 407.536 1.375 30 10 HDEE C#CCOc1ncccc1C(=O)N1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1685870369 AWIDAQSGMUCDMN-QGYXVZHVSA-N 423.513 1.731 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1686920011 RABGZHZMPCUHDT-KGLIPLIRSA-N 400.298 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CCOC)c1 1689825703 BPCJXYDCTXXKSI-HNNXBMFYSA-N 408.466 1.275 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)N(C)C 1689840084 SCKNSKSCCCEWBH-DNVCBOLYSA-N 405.510 1.719 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1689990779 RPAKXHUOPQFIDL-GOSISDBHSA-N 407.584 1.904 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1690076904 DJEPRHWBCDJFAY-RTBURBONSA-N 416.547 1.897 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690237209 WNVBPQJRQUGUNF-BBWFWOEESA-N 416.526 1.855 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCN(C(C)=O)CC2)CC1 1690378992 GYYMRBKHOGEDHB-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cn(C2COC2)nn1 1690517690 KXRSXXSFEWZZRE-UHFFFAOYSA-N 419.287 1.869 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCOCC1 1690523451 APUZBMFFCSOAMN-HNNXBMFYSA-N 402.499 1.596 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C(C)C)C1 1690724286 LLTYYZWPSSWEKI-SJORKVTESA-N 412.556 1.982 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1692470306 ZSJSNUABGAHQIK-RBUKOAKNSA-N 407.522 1.872 30 10 HDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cnn1C 1692938454 BWWDRUWURQEQBJ-CQSZACIVSA-N 404.478 1.574 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1693823086 LLUYLVNARYCHTO-ZEVGMECHSA-N 421.505 1.883 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1698067065 ZLACNLPPPZFDFE-NRFANRHFSA-N 423.477 1.278 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1705556329 PMDBDXNTFDULHP-UHFFFAOYSA-N 408.487 1.486 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1705561443 QHGVKLCDFCTOMO-ZHALLVOQSA-N 421.611 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1Cn1cccn1 1705571591 CHXQKRHYCVTJCQ-UHFFFAOYSA-N 415.501 1.782 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccncc1 1705668612 QAMNILUSAXBLHH-DNVCBOLYSA-N 402.524 1.518 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1705701344 BAYRQHYRFASKFC-VXNCWWDNSA-N 414.510 1.956 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1705740733 VPPBQNSAMYVOOG-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CCC(=O)NC)C1 1705929340 OXXASEQPBAQHHE-QGZVFWFLSA-N 403.458 1.914 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCC(=O)NC2CCCCC2)CCO1 1712883889 BQCYUYMXXQRZNC-GOSISDBHSA-N 409.494 1.908 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722320175 SVUBRBGULSZGRT-ROUUACIJSA-N 421.567 1.288 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCCN1CCCO[C@H](C)C1 1722382820 OPDRRXFEHBOTRY-HXUWFJFHSA-N 406.534 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CC[C@]2(CCOC2)O1 1722390543 DIFZLCRMTMMILP-NNMXDRDESA-N 416.522 1.803 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)nc1OC 1722429126 NZOYWUMRNJUYAX-QGZVFWFLSA-N 415.494 1.719 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCSC2)CC1 1722439677 LJCIMABMMBTXTI-LJQANCHMSA-N 418.592 1.257 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722492628 GCJFJTJOERJUGT-WDYCEAGBSA-N 408.510 1.945 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1722523547 YQMSEBQTOMIZQI-SJORKVTESA-N 411.572 1.856 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1722529462 TZJKNYCWXNQMAO-YJBOKZPZSA-N 415.560 1.486 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)CC)CC1 1722575793 XNDOOBMMDUSUKP-UHFFFAOYSA-N 421.509 1.802 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1722608639 IYBFAEBSIBNTAP-GOEBONIOSA-N 412.560 1.207 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@H]2C)n1 1726056974 FPXAJMRYUSLACL-YLJYHZDGSA-N 416.505 1.302 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740590554 HZXNPDBYLNWVOB-MRXNPFEDSA-N 409.494 1.016 30 10 HDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740590941 JZRIPYUJHPNPMA-QGZVFWFLSA-N 401.898 1.887 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)N1CCOCC1 1740598722 BBIIVPMMNZCNBS-UHFFFAOYSA-N 424.505 1.466 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1740623378 SKOIBTHIQRFSCN-CQSZACIVSA-N 405.549 1.849 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1740639658 DQRDPWIXZOXGPK-XYJFISCASA-N 404.536 1.457 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1740642724 ZOVVFCRMAXTIPK-UHFFFAOYSA-N 418.501 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1740644547 KYRHCSWJWUNXSD-UHFFFAOYSA-N 419.489 1.516 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740683587 AZGMIIXUABOHQE-JOCHJYFZSA-N 408.506 1.745 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1740691790 NBUZMCQLZNZHBW-RTWAWAEBSA-N 420.517 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CC1 1740694896 XCBAMFBTKWNHJG-GOSISDBHSA-N 414.554 1.376 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(C)(C)O)c2)CC1 1740696117 MMAUWCNBDZXEQE-IBGZPJMESA-N 409.534 1.813 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740735908 AQDKJAKDWUEMHE-KGLIPLIRSA-N 411.348 1.998 30 10 HDEE C=CCCOCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740888425 NCONASAZXZGLRV-GASCZTMLSA-N 419.507 1.424 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1740932172 INJRGJQLLAXIRM-KGLIPLIRSA-N 402.467 1.783 30 10 HDEE CC(C)Cc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1741454432 TZDIXLPLZCVRNY-UHFFFAOYSA-N 420.539 1.755 30 10 HDEE CCCCN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1745420542 ZZJLTQYXYGAQPH-VHEBQXMUSA-N 415.498 1.163 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)cc1OC 1748669239 CFCRMOIVDVORJE-CQSZACIVSA-N 423.420 1.973 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1748703401 ORMVRDJIDCQVKS-UHFFFAOYSA-N 415.519 1.478 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCCC1 1748779318 FZXUBQZKHKKHPR-QGZVFWFLSA-N 405.510 1.722 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1748802911 TXUIWWWRUQQWJC-INIZCTEOSA-N 417.535 1.654 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](SC)C(C)(C)C)CC1 1748991058 PLYZTIGLLKQVCW-HOTGVXAUSA-N 404.584 1.762 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1749230352 XFMRTNHOEZTTKC-QGZVFWFLSA-N 418.542 1.759 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1749331674 SVARVXXHUYOWQX-UHFFFAOYSA-N 400.508 1.768 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC1CC1)C1CCC1 1749650419 WHMCLMYMVMUPEL-UHFFFAOYSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1749666281 KRDXODPRXSKQPL-UHFFFAOYSA-N 411.466 1.693 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCOC2)nnc1[C@@]1(OC(C)C)CCOC1 1749681715 GPLDJDPDUMZGMU-OXQOHEQNSA-N 407.515 1.094 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCCC2)C1 1749718510 WWCZFEFZZVXVPW-SFHVURJKSA-N 402.543 1.668 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749760099 BWAHHMCKCYSOCN-GJZGRUSLSA-N 404.540 1.035 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccn1C(F)F 1749830068 DHIXWCYTAFOHSF-LBPRGKRZSA-N 408.413 1.236 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCSCCCO)c1 1750382500 UVUZMYFCNGCFIG-UHFFFAOYSA-N 421.548 1.167 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1760163109 LYSMPBCXWJEQME-LBPRGKRZSA-N 420.520 1.723 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760183226 PGVZYWPTRIQZHL-WBVHZDCISA-N 404.540 1.395 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCSC1 1760242675 LFVNEEHRMGOWDJ-LSDHHAIUSA-N 415.585 1.118 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@H]1C[C@@H]1C 1760247907 VEAYQBGWYUPOQI-HOCLYGCPSA-N 402.524 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1760272060 XDMDRWHZWZMJJW-AOMKIAJQSA-N 401.555 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1occc1C 1760294252 RSRWDGOCMDAFFQ-OPAMFIHVSA-N 424.505 1.943 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 1760389580 OBCLITQBWNCTNM-INIZCTEOSA-N 416.551 1.846 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1762056985 ILRFPCNZTOJVGK-CVYDXHPNSA-N 420.514 1.036 30 10 HDEE CCn1cc(CN(C)c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)cn1 1765304506 DBLUUOZYKFJUSX-UHFFFAOYSA-N 408.466 1.880 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C#N)o2)C1 1767605703 ZCNKNESGUIUKMN-VLIAUNLRSA-N 416.482 1.477 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1768690096 PWUXBXFRASQRDE-LSDHHAIUSA-N 400.439 1.319 30 10 HDEE COC(OC)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1769690063 PDZVHMFPLIEJEI-MSOLQXFVSA-N 413.478 1.850 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3ccc(C#N)nc3Br)C2)cc1=O 1852245593 DBCFGAXYSOTSSZ-NSHDSACASA-N 417.267 1.665 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2C#N)CC1)N1C(=O)c2ccccc2S1(=O)=O 1853047847 OMCMLXKABLLEKL-HNNXBMFYSA-N 424.482 1.440 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)[C@H]1CCCOC1 1853061926 KKIWVYNRZXAYIK-INIZCTEOSA-N 417.473 1.912 30 10 HDEE Cc1nc2ccccc2n1CC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1853179563 QJQIDXWEAOFIGM-UHFFFAOYSA-N 404.474 1.977 30 10 HDEE C=CCN1CCN(Cc2cc(F)ccc2C(=O)N2C[C@H]3C[C@H]2CS3(=O)=O)CC1 1853461924 QHDLPEGCTZQWIM-ZWKOTPCHSA-N 407.511 1.141 30 10 HDEE NC(=NOCCC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O)c1ccc(OC(F)(F)F)cc1 1853463866 PFOGTAMWUDWXJX-WCQYABFASA-N 421.397 1.010 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1=O 1853828467 MPJVZOFUOMZIEB-WOJBJXKFSA-N 408.502 1.878 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCN(Cc4ccncc4)CC3)C2=O)c1 1853966410 FTZOQWZYHOJILE-NRFANRHFSA-N 403.486 1.902 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2snnc2CC)C1=O 1854101355 VEBWHJFXXCWIGY-GJZGRUSLSA-N 405.524 1.341 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(Cc4cocn4)C3)CC2=O)cc1 1854183986 HKVJQTDYZBAYQV-FQEVSTJZSA-N 407.474 1.424 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1854639048 VYJUEGINSILGKJ-HZPDHXFCSA-N 402.520 1.443 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CCCS3)C2=O)CC1 1854831672 QARMSZILJVBXIX-MSOLQXFVSA-N 413.547 1.879 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2=O)CC1 1855125918 NZCHJIFVKBIOGV-GOSISDBHSA-N 400.479 1.615 30 10 HDEE CC(=O)N1CCO[C@@H](CN2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2(C)C)C1 1855217074 VCRIQAPXWDTUMO-LJQANCHMSA-N 412.490 1.177 30 10 HDEE Cn1ccc(CC(=O)N2C[C@@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)n1 1855844479 WBSPQFWJXOGZTI-GOSISDBHSA-N 405.502 1.895 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(C(=O)CCn3cncn3)C2)CC1 1855894909 YDHRYWJCESASGP-SFHVURJKSA-N 406.490 1.601 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2=O)CC1 1855961946 YLQKOBJKHNASLH-MOPGFXCFSA-N 411.506 1.552 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1856157214 YJSBSHCFGZYPAG-ZWKOTPCHSA-N 400.523 1.778 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CC(=O)C(C)(C)C)C3)CC2=O)cc1C#N 1856581147 PLIUQEANUFZSJR-LJQANCHMSA-N 410.518 1.841 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)C(=O)C2)C1 1856837177 JDOHUCVLTCVBSO-NRFANRHFSA-N 407.518 1.866 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)CSC2CCCC2)C1=O 1857149994 MUXZNTOQXKSSTA-KRWDZBQOSA-N 414.535 1.272 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](n4cnc5c4CCCC5)C3)C2=O)ccn1 1857375276 VJQSJDWSYUXJKD-XLIONFOSSA-N 404.474 1.717 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1858301788 LHMSYVOJKRPYAU-INIZCTEOSA-N 402.410 1.185 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)CC1 1858384445 HZGBVNDZFLOMII-MRXNPFEDSA-N 404.492 1.017 30 10 HDEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)NCCN2CCOCC2)CC1 1860608212 OYRQHLDJXYXCQE-NRFANRHFSA-N 403.523 1.183 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861186418 IOROHAHLWSZWEY-WMZOPIPTSA-N 404.486 1.090 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1895874887 CVJNMFPMZOQLPW-LSDHHAIUSA-N 410.320 1.907 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H](O)CNC(=O)OC(C)(C)C)[nH]1 1900334235 PGHUZJLOFSIFEB-HNNXBMFYSA-N 407.320 1.409 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C1COC1 1985179640 IXVAEVQKEDWAQL-MOPGFXCFSA-N 414.506 1.763 30 10 HDEE C#CCN(C(=O)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F)[C@H]1CCS(=O)(=O)C1 2180137642 NRWSHGLWISYODR-YVEFUNNKSA-N 408.467 1.574 30 10 HDEE CCS(=O)(=O)CC(=O)N(C)Cc1scc(C)c1B1OC(C)(C)C(C)(C)O1 2189440609 FMFUPNFAANWUAW-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243429996 KZKDBYBEUZFJFO-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825740 IZLGZVVUDSKYMB-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE C#C[C@@H](C1CC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258173504 ZRRDOHFGRDJMJE-IRXDYDNUSA-N 408.476 1.128 30 10 HDEE CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304439 KMGDRRZCIKQEBK-VIFPVBQESA-N 422.765 1.504 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(CF)CCNC1 2282312457 WRYASXFEBPGWLJ-MRXNPFEDSA-N 404.338 1.336 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCN3)c(Cl)c2)OC1(C)C 2282491551 NZZWDFIWFSQANQ-CYBMUJFWSA-N 400.737 1.670 30 10 HDEE C[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CO 2282506714 WLWFFYATKBNNKK-RYUDHWBXSA-N 403.737 1.934 30 10 HDEE C=C(CS(=O)(=O)NCCCS(=O)(=O)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282872931 DLOCQUXAPQPCSD-UHFFFAOYSA-N 409.379 1.697 30 10 HDEE C=C(CS(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1)B1OC(C)(C)C(C)(C)O1 2282882802 QZMJATOODWZHSR-UHFFFAOYSA-N 402.303 1.263 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCCC[C@@H]2CN)OC1(C)C 2282884270 MDBLQDFMTROUIG-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CSC[C@@H](NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284369362 WVENIPRQIJNKCD-LLVKDONJSA-N 400.693 1.580 30 10 HDEE O=S(=O)(NC1C[C@@H]2CSC[C@H](C1)C2=NO)N1CC(OCc2ccccc2)C1 2285901873 PDPRBRPIVFSRAW-XYPWUTKMSA-N 411.549 1.694 30 10 HDEE CC(C)(C#C[C@@H](N)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317408407 OHJJAEYFKNNTNV-XLIONFOSSA-N 408.520 1.304 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCC#CBr)(C(=O)O)C[C@@]12CCCOC2 2324773149 LWTVXCOREGPHOR-SJORKVTESA-N 417.300 1.945 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1N=Cc1ccc(C(=O)OC)cc1 2331565587 WFIUOIILWQFIES-UHFFFAOYSA-N 405.480 1.712 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2342072919 XNZRGPUYDBXPKR-SFHVURJKSA-N 420.531 1.319 30 10 HDEE C=CCN1CCN([C@@]2(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)[C@H](C)C1=O 2345080041 HUIXNKFZYXKOIJ-IERDGZPVSA-N 401.463 1.571 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362578625 NPFVYAMPLPEKCB-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C(=O)C#CC(C)(C)S(C)(=O)=O)[C@H]1OC 2365171397 IYBPPOXKVKQJJB-KFWWJZLASA-N 403.497 1.031 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@H]1CCO2 2365203989 LIKKROHTYWDYQZ-CLCXKQKWSA-N 400.541 1.427 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2365209064 FHZPTMMPBPROFG-GJZGRUSLSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(NC(=O)OC(C)(C)C)CC(OC)C1 2367799740 CVADZSXNTMMCEE-XAUUPUKJSA-N 400.541 1.617 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2375785799 TWWPHWQLSRUJEB-DEYYWGMASA-N 402.513 1.514 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccccc2O)n1N 20527291 HUVPPSMSXVJQGU-KEBDBYFISA-N 413.463 1.883 30 10 HDEE C=CCn1c(=O)c(N2CCC(NC(=O)NCCCOCC)CC2)nc2cccnc21 64579447 MISBYEPZULPZMW-UHFFFAOYSA-N 414.510 1.672 30 10 HDEE N#C[C@]1([C@@H](O)c2ncc(Br)cc2Br)CCS(=O)(=O)C1 135404540 JEMCHDKNIWGTIS-WDEREUQCSA-N 410.087 1.968 30 10 HDEE Cc1ccc(C2=C(N3CCN(CCO)CC3)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1 170081213 AZKMWKKZCSTFNX-UHFFFAOYSA-N 416.481 1.761 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 429471220 NUWLMSWRHVGJGV-MDASCCDHSA-N 409.490 1.928 30 10 HDEE N#CCC1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 431179332 CUHBXSHNCGJKGA-INIZCTEOSA-N 406.464 1.948 30 10 HDEE N#Cc1cccc(COc2ccc(NC(=O)C(=O)N3CC(n4ccnn4)C3)cc2F)c1 441286246 OBKSPFAJGYJSNC-UHFFFAOYSA-N 420.404 1.890 30 10 HDEE N#CC1CCC(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 442723593 SLRVZXDVULFWFF-VMBOVVBDSA-N 400.479 1.940 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CCOC)[C@@H]1CCOC1 460813155 KQCCGVHWPOHPIM-GOSISDBHSA-N 410.482 1.739 30 10 HDEE CC1(C)C(=O)NC(=O)N1CC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 469066942 PNGUMFWLZPXUFF-UHFFFAOYSA-N 406.446 1.085 30 10 HDEE COC(=O)c1cc(Br)ccc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 471927563 OJRQQQBRCZLELT-AWEZNQCLSA-N 403.254 1.539 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)N(CCC#N)CCN3CCOCC3)CC2=O)cc1 478240787 XHXMRQIFMFFZMS-KRWDZBQOSA-N 416.547 1.836 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C2CC2)N(C)Cc2ccccc2)CC1 483679009 HLJZKSPXCNXCID-NRFANRHFSA-N 413.566 1.526 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)ccc1F 488908209 AVBINNPZCDNLEY-UHFFFAOYSA-N 417.462 1.876 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl 503723535 HCVYRCKGDFDSIL-QHSBEEBCSA-N 412.851 1.325 30 10 HDEE Cc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)c(C)c1S(=O)(=O)NC1CC1 505013980 NWVJPHHPOUVUAB-UHFFFAOYSA-N 418.519 1.835 30 10 HDEE CN1CCN(c2ncccc2CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506094265 HEVFSJKDXLNWGG-OAQYLSRUSA-N 401.511 1.711 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 509002686 SGIYKJYEVXPFHV-JOCHJYFZSA-N 422.537 1.745 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N[C@](C)(CO)c1ccc(Br)cc1 511253425 SLOKSJFEMJVXAC-IUODEOHRSA-N 404.330 1.973 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 514307062 QPVVKVSSJWKLSQ-MRXNPFEDSA-N 415.490 1.256 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)C1=O 521478003 QGUQFJCFIXGBFE-UHFFFAOYSA-N 422.844 1.100 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@H]4COCC[C@H]43)CC2)cc1 531797098 AXOKLRMFBQOPFU-AZUAARDMSA-N 417.531 1.986 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)CC1)C2 535142438 MBFPJXULGUUOBW-GJZGRUSLSA-N 410.490 1.768 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)cc1 542635931 XTOZRQBEELTXCM-QGZVFWFLSA-N 406.508 1.786 30 10 HDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)n1 544754778 YRXZBQUQDITJHV-UHFFFAOYSA-N 408.462 1.731 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(c3cccc(C#N)n3)CC2)c([N+](=O)[O-])c1 544842905 JFXVASYZZRDHQW-UHFFFAOYSA-N 402.436 1.096 30 10 HDEE COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545505823 SWLGRDFOOGSMPI-UHFFFAOYSA-N 422.445 1.210 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 549282635 OQVDBPPMQFAWQB-HOTGVXAUSA-N 409.556 1.497 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1C[C@H]1CCCO1 565578761 APBBNFMUKAPCBZ-LLVKDONJSA-N 409.920 1.053 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cccnc1C(F)(F)F 588119534 KMFUDGQYMVVBPP-LLVKDONJSA-N 412.397 1.661 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C(=O)OC)c(C)o2)c1=O 604523589 RRFSHJNZPAZETH-UHFFFAOYSA-N 412.467 1.656 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C)c2C(=O)N2CCCC2)CC1 605409053 HPUXCEGUPKAUKN-UHFFFAOYSA-N 413.522 1.683 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCC23CCOCC3)CC1 618318277 NLCAUDOBDVEUMU-UHFFFAOYSA-N 411.462 1.710 30 10 HDEE COCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCCO1 619850207 PDLHOVBJLNTJLT-INIZCTEOSA-N 400.458 1.941 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669817979 FLMLAVNUPDKIGU-FXAWDEMLSA-N 409.538 1.439 30 10 HDEE C=C(C)Cn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670199426 GFCBWXVBFVCCLA-UHFFFAOYSA-N 410.569 1.435 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N(C)CCN1CCCS1(=O)=O 674563096 LMSZSVJSIXOSJJ-UHFFFAOYSA-N 404.492 1.545 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCCN2CCOC2=O)CC1 728276207 AIHKKYGAXDGSBV-UHFFFAOYSA-N 413.434 1.981 30 10 HDEE C#CCN(C(=O)c1nn(CC(C)C)c(=O)c2ccccc12)[C@H]1CCS(=O)(=O)C1 729332029 TWCNORCRUHXDCU-HNNXBMFYSA-N 401.488 1.315 30 10 HDEE COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746125273 PNELIZKYZAUMIR-BSBNDGSWSA-N 412.446 1.541 30 10 HDEE COc1ccc(CNC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1C#N 746887314 PWUOETSBSBFVRE-UHFFFAOYSA-N 407.423 1.221 30 10 HDEE COc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1C#N 747423344 QSCBZVWXLCZQCD-QGZVFWFLSA-N 424.457 1.691 30 10 HDEE C#CCN(C(=O)c1cc(F)cc([N+](=O)[O-])c1Br)[C@H]1CCS(=O)(=O)C1 754995160 XBJFATQTSYCHDN-JTQLQIEISA-N 419.228 1.759 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3nccnc3C#N)C[C@@H]2C)C1=O 756874917 FIYUHWCEJUNIGS-AOMKIAJQSA-N 419.489 1.674 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3nc(F)c(F)cc3F)CC2)c1 759996617 XKEPDPHHFKIYEE-UHFFFAOYSA-N 410.421 1.966 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCN1C(=O)N[C@H](C[C@H]2CCCc3ccccc32)C1=O 761269279 AJSOVMXKGYGALX-DBROBJPSSA-N 408.458 1.943 30 10 HDEE CC(Cn1ccccc1=O)=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 761807110 FSPQWFRBSLWONB-UHFFFAOYSA-N 403.508 1.272 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)C#Cc3ccc4c(c3)OCO4)CC2)cc1 762109770 BHIKNORCKKUCJI-UHFFFAOYSA-N 407.470 1.714 30 10 HDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 762548377 SUZMWXKXTHAVIO-CQSZACIVSA-N 418.475 1.148 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCO[C@@H](C(=O)OCC)C2)nnc1-c1ccco1 765643321 TWQJNAUXZUXXAX-OAHLLOKOSA-N 420.491 1.997 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)CSCC(=O)OC(C)(C)C 766988392 MWCVFQBVGDFQFF-UHFFFAOYSA-N 400.478 1.447 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 776143520 YNDCKRPMOHLPAV-OAHLLOKOSA-N 409.483 1.603 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)nc1Br 782575396 XUIGEPCFSDZCOS-UHFFFAOYSA-N 410.249 1.984 30 10 HDEE CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786689131 RYHHJXOHJRGXDY-INIZCTEOSA-N 423.560 1.751 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)n1 788819630 IHQUAWUMTSQDKH-UHFFFAOYSA-N 408.418 1.899 30 10 HDEE Cn1cc(C(N)=O)cc1C(=O)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 790868305 HQKQMGPFGGEFKJ-UHFFFAOYSA-N 400.338 1.133 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)N2CCCC[C@@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 791721318 XLFLDOVQBPORJK-QVKFZJNVSA-N 423.510 1.742 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)cc1 797327690 OHJOVTICAPPINV-CYBMUJFWSA-N 401.444 1.331 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)cc1C#N 806423832 DSTUFCAAVKNYHK-HXUWFJFHSA-N 406.486 1.964 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC[C@H](C(N)=O)C1 809893270 LKMAUUNYMULZQF-LSDHHAIUSA-N 420.514 1.474 30 10 HDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812031146 OCPDNNNPPPGLOF-SFHVURJKSA-N 410.503 1.777 30 10 HDEE C#CCONC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 812781746 DLZDYTZMSIFODE-NSHDSACASA-N 417.281 1.201 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)c1cnc(C(F)(F)F)c(C#N)c1 815895215 IJYUYFDGFHYGSN-UHFFFAOYSA-N 419.362 1.939 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4ncc[nH]4)CC3)C2=O)cc1 1116066211 XTLDBHQAGPOVPG-KRWDZBQOSA-N 406.446 1.893 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3C[C@@H]4CCCCN4C3=O)CC2=O)cc1Cl 1129497890 DDMWWTNMYSXCPQ-KEYYUXOJSA-N 400.866 1.834 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)C3=CC=CN4CCS(=O)(=O)N=C34)cn2)cc1 1132786970 FVBVHPGDXLMKFY-UHFFFAOYSA-N 408.443 1.239 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1136497334 GLLLRXYODONNBY-HNNXBMFYSA-N 413.459 1.059 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N(CCC#N)Cc2ccccn2)C1=O 1144537798 ZFZAAESMYUZDSH-QGZVFWFLSA-N 400.479 1.904 30 10 HDEE C[C@H]1CC[C@H](NC(=O)COc2ccc(C#N)c(Br)c2)CS1(=O)=O 1146272486 ZUWYJHSQHOOTKG-JQWIXIFHSA-N 401.282 1.781 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)CC1 1148406601 WWGUKFIPMUDJSP-UHFFFAOYSA-N 410.474 1.631 30 10 HDEE N#Cc1cn(CC(=O)Nc2cc(Br)ccc2NC2CC2)c(=O)nc1O 1148836542 BOUFEFWSHDJDEZ-UHFFFAOYSA-N 404.224 1.796 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1150543905 NOSUBABNUIJUIM-QRJUGERDSA-N 401.429 1.715 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1cccc(Cl)c1 1154068804 CZCONKDOTNRBQH-CXAGYDPISA-N 421.906 1.598 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1154274902 SMYKVPXMNKIDAO-STQMWFEESA-N 409.936 1.420 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1165382549 XDGHUWHTNOYQMP-QFIPXVFZSA-N 405.385 1.892 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)c2ccc3c(c2)CCO3)c1 1170127211 FDSXJJOMJFBHNJ-FQEVSTJZSA-N 407.426 1.755 30 10 HDEE CC(C)C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(=O)OC(C)(C)C 1178757780 VFNDTMXJFBPUCW-DOXZYTNZSA-N 413.540 1.713 30 10 HDEE C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180721918 XJPCOSMQPAIXDY-HXOBKFHXSA-N 417.469 1.828 30 10 HDEE CNC(=O)c1cccc(N(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)c1 1197979188 STLSTAQOJGYHQW-SFHVURJKSA-N 411.531 1.953 30 10 HDEE CCOC(=O)c1csc(N2CCN(CC(=O)NCc3cccc(C#N)c3)CC2)n1 1198761022 BNPUSCGCFGZTTA-UHFFFAOYSA-N 413.503 1.630 30 10 HDEE COc1ncc(NC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1C#N 1220039979 AJHNBRLCGYABOK-UHFFFAOYSA-N 409.402 1.680 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1286277471 DCLIAKVZUJZSKV-HOTGVXAUSA-N 418.567 1.655 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(Br)n1)[C@@H]1CCS(=O)(=O)C1 1286384812 SULDXCHCIIEFAF-CQSZACIVSA-N 424.324 1.419 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1286387768 UZHPEISXLBDERG-ROUUACIJSA-N 413.503 1.660 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(O)c2)CC1 1286477243 STZNCGFKRIKUEY-UHFFFAOYSA-N 406.490 1.801 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC2([S@](C)=O)CC2)CC1 1286482493 SWQHPQZODRAZIS-LJAQVGFWSA-N 415.538 1.674 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC 1286518703 YSRJCERHXCBJRJ-LJQANCHMSA-N 403.508 1.495 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)COC(=O)N2 1286634406 VPHSUMKJXFDENC-KBPBESRZSA-N 411.890 1.833 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286687455 NXOZEYLYHGQIKY-SFHVURJKSA-N 411.510 1.919 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(=O)NCC)cc1 1286714817 TYEBWGQWBOSSJS-CQSZACIVSA-N 420.539 1.309 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H]1OC 1286772407 CWGRRMHVGQGSKI-BRWVUGGUSA-N 412.556 1.634 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1286810473 RRQCXQOPKHFODA-GOEBONIOSA-N 417.491 1.474 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1286821714 SVOPXTIZRNOJFI-ROUUACIJSA-N 420.510 1.976 30 10 HDEE Cc1ccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)o1 1289529186 SXHSKVSBJMLFDF-UHFFFAOYSA-N 410.434 1.655 30 10 HDEE Cc1cnn(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)c1 1290278485 IENRBINJUSCRDS-MAUKXSAKSA-N 420.543 1.224 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1295063835 FIXTYKOFQBLXPW-KRWDZBQOSA-N 405.300 1.944 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)OC 1297287404 CWCIMHUBGRHTRK-CABCVRRESA-N 400.487 1.226 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1297981606 CMRYHIMJAZXBIZ-OAQYLSRUSA-N 407.478 1.154 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCC(N(CC2CC2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299277607 LJUKZGSKOHNJIV-LHQQFIGISA-N 402.535 1.967 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@]2(C)CN(C)C2=O)c1 1300334220 IPXUVLLTPFUFAX-QHCPKHFHSA-N 420.517 1.765 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300401163 OPTAAMFUQLPENE-QGZVFWFLSA-N 407.478 1.520 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC(F)F)c1 1300506314 QMFNVFPGCQBMCX-UHFFFAOYSA-N 402.405 1.534 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N(C)C 1300665980 UNADXZQQYNSABQ-UHFFFAOYSA-N 409.487 1.062 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)COCCO1 1300786163 DNOVNUOSTFIINK-QHAWAJNXSA-N 404.511 1.728 30 10 HDEE C=CCC(C)(C)Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1301151860 ROANDOSTNVUIMD-OAHLLOKOSA-N 402.543 1.616 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1301390480 INCWSNUUXSSKOJ-SJORKVTESA-N 416.551 1.818 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1301424382 KIQCLQYALABPDS-IERDGZPVSA-N 403.527 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCCC1 1301485518 WURCGNSIIQTZQE-UHFFFAOYSA-N 418.523 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCCO1 1301588809 JPBXGKWZVWQYKB-SJORKVTESA-N 412.556 1.778 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1302887030 AEWMGNGKNPHKHE-UHFFFAOYSA-N 415.519 1.579 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC2(CSc3ccccc3)CC2)CC1 1302924858 VCCFMJCFLYMUAU-UHFFFAOYSA-N 407.561 1.561 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)OC 1304089869 PCAOIJQUPYIZKZ-CHWSQXEVSA-N 400.863 1.646 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1305635503 FWDGPXQNXCSYSU-AVYPCKFXSA-N 401.515 1.664 30 10 HDEE C#CCN(C(=O)NC[C@@H](Cc1ccc(F)cc1C)C(=O)NC)C1CCN(C)CC1 1312915564 APKJPJHZPTWGDU-GOSISDBHSA-N 402.514 1.778 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OC)nc2)CCOC1 1314111473 DIDRSTMXIMNPPZ-WOJBJXKFSA-N 416.457 1.824 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCOc2ccccc21 1358938703 HXDPBYFSCFHUMP-HZPDHXFCSA-N 417.535 1.914 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1358962542 RPCHVBQSKVMZBX-IRXDYDNUSA-N 424.567 1.819 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(OC(F)F)c1 1359024297 KEXXZDAGAGMZAN-HNNXBMFYSA-N 407.421 1.913 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](C(C)C)N1CCOCC1 1359024304 KHVCQDGYRBZBLY-WOJBJXKFSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC=C)CC1 1359037695 TXMKIPWMNQSMPQ-UHFFFAOYSA-N 419.576 1.286 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1359202705 AGIXJTCOGCRSFF-QGZVFWFLSA-N 423.583 1.985 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1359216195 RARIDIHUVJACEZ-MRXNPFEDSA-N 409.512 1.807 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)Cc1ccccc1 1359239444 OGMRXVQSIURGJL-QGZVFWFLSA-N 417.535 1.857 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1359246995 PULQLNRPOFZTDM-HNAYVOBHSA-N 410.540 1.520 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1359272166 MLUOWBJJIQYRKZ-INIZCTEOSA-N 416.551 1.868 30 10 HDEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359289688 COWFVGBUQQPKNE-MRXNPFEDSA-N 412.494 1.998 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(C)CN(C)C2=O)C1 1359327031 PWCPCVLNZMSEAJ-GRXQJBFDSA-N 419.526 1.262 30 10 HDEE CC(=O)N1CCCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1359377584 GJHTVSHKTOMYKB-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE CCn1c(O)nc2cc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)ccc2c1=O 1361283218 FGUHILHNTQWBLU-UHFFFAOYSA-N 415.413 1.886 30 10 HDEE CC(C)(C)n1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1441015489 YDRRBTRTVMMHQA-UHFFFAOYSA-N 401.492 1.656 30 10 HDEE C=C1CC(C)(C(=O)NCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1452973680 NOSXTERZLSMIAI-UHFFFAOYSA-N 407.536 1.620 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(O)(c2ncnn2C)CC1 1455374961 NLPTVTSSSBDUHB-UHFFFAOYSA-N 408.462 1.689 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 1466307729 VPWNFMQQECPWCX-GFCCVEGCSA-N 400.428 1.663 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CCNC(=O)OC(C)(C)C 1468791244 FJHVJRBWKDFEMK-ZDUSSCGKSA-N 410.496 1.208 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H](OCC)[C@H](CNC(=O)OC(C)(C)C)C1 1469509179 HGQSWVQMBIQVOS-HUUCEWRRSA-N 419.544 1.158 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(NCC(C)(C)C)c2C)CC1 1471450547 FAODQSRCLYCSIW-UHFFFAOYSA-N 406.552 1.678 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCNC2=O 1471859972 VBJAJFHKHGSMOC-LLVKDONJSA-N 412.878 1.016 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)c1 1471929930 VGGGUOCBDVHIDH-RNKNFESXSA-N 406.504 1.301 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1478313653 XWJZAACMWMKXHE-YEWWUXTCSA-N 408.911 1.498 30 10 HDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1500895309 HKIZUIWRCAWCBV-GFCCVEGCSA-N 402.480 1.125 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1505314171 VLZDBYDVHAANIM-HOTGVXAUSA-N 416.432 1.943 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507595691 UQVWIAUUVHRYKB-GOSISDBHSA-N 404.474 1.953 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccs1)[C@@H]1CCS(=O)(=O)C1 1507632410 KTWMXVBOCIYATG-HZPDHXFCSA-N 420.560 1.713 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507634561 ZBZCYONUBWVUNI-IKGGRYGDSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1507669485 MXOQBQSIUQDCOR-HZPDHXFCSA-N 424.617 1.492 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@@H](O)C1 1507711079 ZWBSGBWFYSWUDZ-HZPDHXFCSA-N 415.494 1.643 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC=C 1507761819 RPCBSCWDKSBVRG-RTWAWAEBSA-N 401.511 1.613 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@@H]1C 1507773387 REORKQIYUILTLJ-LNKGRISISA-N 406.552 1.723 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1C 1507998610 QXNSGFQLUNUHKW-KRWDZBQOSA-N 422.493 1.607 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1508080870 FDFBDZJOSBUBJL-KRWDZBQOSA-N 421.509 1.692 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)CC1 1508087171 NZBFSUZRYYUKSN-SFHVURJKSA-N 423.521 1.166 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)C(C)(C)C1 1508140259 HFRHQCPUFQDXGM-GJZGRUSLSA-N 409.556 1.702 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1508154584 BPYYMFLDUHFFIH-GFCCVEGCSA-N 406.512 1.625 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N(C)C)CCOC1 1509804183 FNKGKVKKSDWILS-FQEVSTJZSA-N 404.515 1.537 30 10 HDEE CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1514471441 UQGPXPGDISRJOA-UHFFFAOYSA-N 423.521 1.790 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1515855872 CSKBYJFUIKNMDT-RTBURBONSA-N 423.521 1.252 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1518767965 XMQKYOXMUCDOLG-HFTRVMKXSA-N 403.458 1.920 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1ccc(Br)cc1 1525055191 YLWVLKXNHDZWDT-JYXJIEJFSA-N 417.259 1.402 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@]1(C(=O)OC(C)(C)C)CCOC1 1531237403 LEFZZDWORSCGHQ-OAQYLSRUSA-N 413.478 1.767 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCO[C@@H]3CC3(F)F)CC2)cc1 1531372581 ALFICWRIXCUAMX-MRXNPFEDSA-N 413.446 1.499 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(C)C 1539557352 REJYOZYWNFLSAP-HNAYVOBHSA-N 407.540 1.041 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)n[nH]2)c1C 1540407288 OPHSHKPYLMQLBS-UHFFFAOYSA-N 400.464 1.976 30 10 HDEE Cc1c(F)ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1N 1540648038 SJPHGOHHISYIGO-UHFFFAOYSA-N 402.451 1.735 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](CC)C1 1540867283 QIRZRIKJIJPTOY-OAHLLOKOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](C(=O)NC)C1 1540867691 DSSZQGVOKALMNB-CQSZACIVSA-N 416.913 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1540902019 XZNZGGOVOOXSPQ-STQMWFEESA-N 404.558 1.014 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1540903709 FWUUTYJOWUMJLZ-WBVHZDCISA-N 405.524 1.072 30 10 HDEE CC(C)(C)n1ncnc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1541195213 GJRHGECJPILBHK-HNNXBMFYSA-N 411.514 1.754 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C(N)=O)CC3)n2Cc2ccc(C#N)o2)cs1 1542910658 SLQXMYGQXKPQAH-UHFFFAOYSA-N 411.491 1.849 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)nn1 1543272792 SCFPIXKTGQWOAD-UHFFFAOYSA-N 400.458 1.181 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@](C)(C#N)CN(C)C 1544116640 CYFACWYRVOEANK-OAHLLOKOSA-N 402.314 1.735 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCOCC1 1557577502 HDQZPEMTSGWKSX-PKOBYXMFSA-N 406.504 1.302 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cnc(Br)cn2)n1 1565175693 PXRFNQKWSDBKOK-UHFFFAOYSA-N 407.272 1.427 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1583662199 WUMQWNIIWOJDBD-INIZCTEOSA-N 406.438 1.996 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O)c1ccc(Br)cc1 1584708778 UPTBULHUZREOKH-CVEARBPZSA-N 406.280 1.367 30 10 HDEE CC(C)CNC1(CO)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1585868429 JSAFHFWJXDDGBT-UHFFFAOYSA-N 421.563 1.977 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1587862030 SIRGITDPOJDYRP-LBPRGKRZSA-N 409.434 1.023 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC=CCO1 1588673550 SJKSNHWTGWKLIY-INIZCTEOSA-N 415.519 1.701 30 10 HDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCOC 1589053435 NPRGKLLVVQHHTL-UHFFFAOYSA-N 422.580 1.687 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC(F)(F)CO1 1594913816 PMYMBTUQYYURCW-HNNXBMFYSA-N 402.409 1.967 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCNS(C)(=O)=O 1595314337 RVVVENDVENDCGC-UHFFFAOYSA-N 406.512 1.319 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1595537632 UVNNPLYWAHIXRO-UHFFFAOYSA-N 422.533 1.657 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1595798166 MQULDMOUSSRIEC-MLHJIOFPSA-N 424.567 1.839 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3F)CC2)c1 1610976066 FJXBRTCGPHYYEO-UHFFFAOYSA-N 406.414 1.619 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1conc1COC 1613595269 ZMAHKQGLDGHORP-OAHLLOKOSA-N 417.470 1.108 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOCC1(C)C 1614025081 DPXRRJRDJOAQJW-UHFFFAOYSA-N 424.553 1.545 30 10 HDEE NC(=O)[C@@H]1CCCN(Cc2cccc(CNC(=O)c3cccc(C#CCO)c3)c2)C1 1616897795 VOFUNXLHJQWBEY-JOCHJYFZSA-N 405.498 1.658 30 10 HDEE CCOC(=O)C(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1618410892 LWKAGBRYGXBVKT-HNNXBMFYSA-N 424.498 1.198 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1618632722 DSBCIEMGKSDJKZ-REDKUUPNSA-N 424.505 1.319 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)C[C@H](C)C#N 1618845528 HJRRPWFPNXPDTH-CQSZACIVSA-N 406.512 1.023 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1619399859 LEESPWQCKNBESR-MRXNPFEDSA-N 422.445 1.592 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1620158092 SGTMXCKGXKRVTL-CJNGLKHVSA-N 405.480 1.308 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@@H]3COC(=O)N3)CC2)CC1 1620631260 QOQCONLLROCXQC-IRXDYDNUSA-N 417.535 1.277 30 10 HDEE CC(C)(CN1CCOCC1)NS(=O)(=O)c1ccc(C#N)c(Br)c1 1622237615 CQDAWAOSXHVQDP-UHFFFAOYSA-N 402.314 1.710 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1624729517 JGUFEHXKJFRNMZ-UONOGXRCSA-N 424.523 1.828 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(C[C@H]2CCOC2)CC1 1626713163 GVUIHMHKTOXVAD-CQSZACIVSA-N 408.296 1.880 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1630988094 PMRXWTDFZCWQSM-CHWSQXEVSA-N 409.936 1.563 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)CCN1CCCCCC1)c1cc[nH]n1 1634433902 VDRYVTNGNNWTPK-UHFFFAOYSA-N 407.515 1.854 30 10 HDEE CC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1634477760 UYYFPQOPNSLYBS-BBATYDOGSA-N 403.826 1.316 30 10 HDEE C#C[C@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1634747838 DYUOAAYNJVOHCZ-VBKZILBWSA-N 405.454 1.907 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2cccc(CS(N)(=O)=O)c2)CC1 1635157127 ANAJCSXUZUEHBJ-UHFFFAOYSA-N 419.532 1.440 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3ncccc3F)C2)c1 1635603328 FPGUPVBPDYCXGG-LBPRGKRZSA-N 406.414 1.666 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1635737579 RGIGPCXWTZGEIZ-UHFFFAOYSA-N 419.913 1.282 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1636785746 GLEFXNABJLUOCD-NSHDSACASA-N 423.214 1.883 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(COCCO)cc1 1638547587 JPWWQPMRFXLHRS-AWEZNQCLSA-N 403.460 1.373 30 10 HDEE CSCC[C@H](C(=O)NCc1ccnc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1640009902 VTVJLMOIVWQIKJ-IXDOHACOSA-N 400.504 1.866 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1640208850 XDDUTAYBUHWVTD-YJTLQXIOSA-N 416.540 1.973 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(Br)c(F)c3)C2)c(=O)nc1O 1640636927 PYXDOOZUEGWKSZ-UHFFFAOYSA-N 407.199 1.348 30 10 HDEE O=C(CN1CCN(CC(F)(F)CO)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1646536852 KZBNXZGQGQKMQC-UHFFFAOYSA-N 419.394 1.418 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1ccn(C)n1 1648681404 IFJXTANDVGYXJG-INIZCTEOSA-N 403.508 1.532 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1649540856 NFLVQBUELRNXPZ-UWJYYQICSA-N 402.543 1.849 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cccc(S(=O)(=O)C2CCOCC2)c1 1662130730 MRBISLQKNRFSIU-UHFFFAOYSA-N 416.521 1.362 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)N(C)C)ccc1OC)C(=O)OCC 1670888096 YIJMWFWNNOQWAG-CYBMUJFWSA-N 418.899 1.750 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@](O)(CC#N)C2)CC2(CCOCC2)C1 1675993076 IPLIXZSKBCSGKT-HRAATJIYSA-N 422.526 1.853 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1678975496 HYMJBWIYWULJMR-MRXNPFEDSA-N 411.466 1.605 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H]3CCN3C3CCOCC3)C2=O)cc1 1680778879 OBMJHGUBWRLZTM-PMACEKPBSA-N 411.506 1.212 30 10 HDEE CC(C)[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](O)C(F)(F)F 1681225930 AAQRIXKGIXTSLR-CYDGBPFRSA-N 408.421 1.992 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1684426473 YEPQDXBMWNZJFH-SFHVURJKSA-N 421.519 1.334 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCCNS(=O)(=O)c3cccs3)CCO2)cc1 1685797494 MPZUNTPOKSEQQJ-INIZCTEOSA-N 420.516 1.681 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1689928132 HOGMUOUCOBOWRU-HUUCEWRRSA-N 413.482 1.727 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689986294 MTKHIFAKUBBKLG-OXQOHEQNSA-N 417.535 1.374 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1Cc1nnc2n1CCC2 1690027854 AYHRIHUKJRBFIH-UHFFFAOYSA-N 417.473 1.525 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC(F)F)c1 1690046103 XKTVMJCDDJAXEL-HNNXBMFYSA-N 414.416 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCSCC2)CC1 1690137404 XOTZMTGAKDVYCD-UHFFFAOYSA-N 418.611 1.590 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CC)CC1 1690146002 CTCZXHODOTWXJM-MOPGFXCFSA-N 414.554 1.232 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC(N)=O)CC1 1690437919 UBRHLDNVLLBZBJ-UHFFFAOYSA-N 418.542 1.474 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C)C1CC1 1690545535 TXRILPSZVUMCGO-JKSUJKDBSA-N 409.556 1.056 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1690622689 VQJCHZLZMIGWCI-CQSZACIVSA-N 419.935 1.002 30 10 HDEE CN(C)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1696609000 CNXIUQAJSFHRTQ-SFHVURJKSA-N 404.478 1.502 30 10 HDEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c1 1697536554 FCOTXPJMFZJNHY-ZBFHGGJFSA-N 403.508 1.833 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1698318000 UADRGYIWDSJNJY-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@H]2COCCO2)cc1 1698488105 CNSIEMNXTJZUPI-KRWDZBQOSA-N 401.492 1.697 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1705475568 NBFSWBBVPDCLSL-MRXNPFEDSA-N 404.478 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1705495023 JSIPQOIECHCQQA-HOTGVXAUSA-N 418.519 1.726 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1705503361 VNCWZJNDDRDESH-CQSZACIVSA-N 416.507 1.570 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)on1 1705544737 CEQOWSURACGTOP-UHFFFAOYSA-N 414.491 1.610 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1705564394 BATISEWKFICWMT-INIZCTEOSA-N 418.494 1.978 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCn1cc([C@H]2CCOC2)cn1 1705582339 ZCNJCYSBAOAWAC-ICSRJNTNSA-N 408.506 1.993 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1705922019 DSIIZNGXCORHSC-DOTOQJQBSA-N 420.539 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCOC1 1705931916 FTAAMVFBTVONBL-HNNXBMFYSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1705934268 HLUMSCZXLPQIIQ-QGZVFWFLSA-N 423.583 1.305 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCc1ccn(C)n1 1707951130 FCCCOCSFFNWCQT-HNNXBMFYSA-N 404.478 1.460 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1711975568 GKBDPIBMGGNZJR-SFTDATJTSA-N 412.469 1.798 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1712671322 ULFNFERPGDPQCH-DYESRHJHSA-N 410.478 1.432 30 10 HDEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1722322357 KPXQHIURSSURSH-JBYIUTFZSA-N 415.538 1.981 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC2(CCCCC2)O1 1722346568 YOVHDBJPERWETR-HOTGVXAUSA-N 409.556 1.840 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1722346987 DGVDKAJQNLOURM-UHFFFAOYSA-N 402.520 1.517 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)(C)C 1722373675 LQYLCPPOWXKLQU-JOCHJYFZSA-N 415.538 1.554 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@]1(O)CCOC1 1722450161 YXAHRBKKKPFQJP-JOCHJYFZSA-N 423.473 1.838 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722531582 QLOQXSGPZBXJBX-KRWDZBQOSA-N 400.483 1.274 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1722654684 SOKJKFLYOFDBTN-GOSISDBHSA-N 421.505 1.759 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722726939 KKFVQOHCVCQBDE-UHFFFAOYSA-N 423.583 1.841 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)COCCO2)C1 1724015615 PEFZYRXDBRZUIJ-UXHICEINSA-N 402.499 1.336 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CC[C@@](F)(C#N)C2)c1 1729735255 ICDROVUJEWGABD-LJQANCHMSA-N 420.514 1.875 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)C1 1731177959 AJHWCARQPLNNDZ-KRWDZBQOSA-N 409.372 1.997 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622809 IWDZSOWIKDPTJW-HZPDHXFCSA-N 421.567 1.682 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740639389 SRRHFNBFYYEENZ-LSDHHAIUSA-N 408.428 1.186 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCc1cn[nH]c1 1740677044 PIGRCYIVJMEBFY-GOSISDBHSA-N 407.453 1.974 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740810294 AXFWANQYXNQRCO-YJYMSZOUSA-N 422.917 1.739 30 10 HDEE C=CCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740950200 WBKSOYLWERMNGA-KFWWJZLASA-N 404.515 1.902 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](SCC)C1 1740958652 SKDREAGTHGNTDB-GJZGRUSLSA-N 406.556 1.643 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCc2ccc(S(N)(=O)=O)cc2)C1 1740982715 ZLQYYOMJMFTKOD-MRXNPFEDSA-N 405.524 1.512 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1741731113 GSUWFLLFNXCSPO-WIYYLYMNSA-N 418.542 1.533 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC[C@H]2COCCO2)C1 1741987428 CEYVIYULNCDLAG-JXFKEZNVSA-N 402.499 1.336 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1747453265 QRGXIADKMCRQTQ-MVJQZIEYSA-N 412.519 1.300 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748818112 VTEKPCIRHDKSID-CHWSQXEVSA-N 408.446 1.435 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(OC)CCOC2)CC1 1749005362 VKNYIEFQWNBJRS-HRAATJIYSA-N 403.527 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(C)[C@@H](C)CC)CC1 1749014739 MUTXWDYRVGVVGW-HKUYNNGSSA-N 416.570 1.478 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCOCC1 1749079925 CPRGIWUTXYAKJC-MDPIYQRISA-N 417.554 1.715 30 10 HDEE CO[C@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1749166410 BDFIOOUKHBGUSO-AEFFLSMTSA-N 410.478 1.480 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749609565 VBNVCMFCKHUNHS-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC2CCOCC2)c1 1750382631 WVFRZCQEQBGXSK-UHFFFAOYSA-N 410.478 1.339 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760121282 ANMCYDKKAHJAFG-DOTOQJQBSA-N 413.503 1.621 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CC(=O)NC(C)C 1760157380 NLDFYDCPYYDNFX-UHFFFAOYSA-N 402.524 1.644 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC(OCC)C1 1760171507 CZVQMGBRUSHSGR-GSVIPDFHSA-N 417.554 1.859 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1760173284 PZSXAWUKEVCAKT-HNNXBMFYSA-N 405.524 1.547 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760184414 XAUCJWVJTVCOHT-INIZCTEOSA-N 423.583 1.869 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760354471 BQHNSWUKXLPIQK-UHFFFAOYSA-N 408.528 1.384 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCc2cnn(C)n2)CC1 1760383428 PXYWGIMXPUSFOK-HXUWFJFHSA-N 401.515 1.848 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)N2CCOCC2)CC1 1760393852 OMIRXWYUMCOTKP-QYZOEREBSA-N 405.543 1.879 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1760449280 GAAWUFNSCQPQNP-IAGOWNOFSA-N 403.527 1.953 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760450511 MLHMJDPGKLLNFS-SQNIBIBYSA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OCC)C1 1760548380 FJCFOONSKHJKHP-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CNC(C)=O)CC1 1760677664 SBGDFHRFONRROO-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1761547310 ZWFAOVFKCXOZKJ-HNNXBMFYSA-N 413.526 1.445 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)O1 1764329571 YFMJGIONQTWXTG-TWOQFEAHSA-N 402.499 1.477 30 10 HDEE CCCS(=O)(=O)NC1CCN(c2nnc(CC)n2Cc2ccc(C#N)o2)CC1 1766334501 PZMOPNCCDVXMPZ-UHFFFAOYSA-N 406.512 1.652 30 10 HDEE COCC(=O)NC1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1770688320 FTUYGVBVNQMWON-UHFFFAOYSA-N 400.483 1.721 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)CC1 1770747752 RZBLKMAVMOEHOE-UHFFFAOYSA-N 415.542 1.253 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1770748185 CJWIGTXSHBOUAL-LPHOPBHVSA-N 415.494 1.863 30 10 HDEE O=C(CC[S@@](=O)c1ccc2c(c1)OCCO2)ON1C(=O)c2ccccc2C1=O 1772789725 KDMLLFZDCBCPQT-MUUNZHRXSA-N 401.396 1.710 30 10 HDEE C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(COC(C)=O)=C31)O2 1775961058 BZQDHZDSIXPDSS-JWOSDPRPSA-N 422.430 1.187 30 10 HDEE biogenic COc1ccc(S(=O)(=O)NCC#CCOc2ccc3c(c2)OCO3)c(OC)c1 1848822059 UEMQJOXBJJDWTD-UHFFFAOYSA-N 405.428 1.793 30 10 HDEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCOC)[C@H]1CCN(C)C1=O 1849243179 YQAAJTWDGUMNMY-INIZCTEOSA-N 423.473 1.155 30 10 HDEE Cc1cn2nc(C(=O)NCC#CCN3CCCCC3)cc2c(N2CCSCC2)n1 1850902437 FTKVPZHRVGOCNN-UHFFFAOYSA-N 412.563 1.810 30 10 HDEE N#Cc1cccnc1N1CCN(CC=CCN2C(=O)c3ccccc3S2(=O)=O)CC1 1851141304 JBKYDQZFEVYPCI-UHFFFAOYSA-N 423.498 1.476 30 10 HDEE Cn1nc(-c2ccc(F)c(F)c2)cc1C(=O)N1CCN(c2nccc(C#N)n2)CC1 1851801124 ZESZPYXJUKXTEB-UHFFFAOYSA-N 409.400 1.989 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C(=O)C1 1853947494 RBFJDIVHANETIB-CYBMUJFWSA-N 411.430 1.743 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2ccc(OC)c(OC)c2)C1=O 1854226217 GRSNBHUFTRXLQJ-IAGOWNOFSA-N 415.490 1.093 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854439067 HKQVNFMHYQFNBO-DLBZAZTESA-N 424.567 1.476 30 10 HDEE C=C(C)CN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)C1 1854503088 RSGGRUATYNZWCD-UHFFFAOYSA-N 418.519 1.997 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1854699464 QGZIRUWAKXWAAC-INIZCTEOSA-N 411.568 1.464 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3cccnc3)C2=O)CC1 1854745794 DDACKZAMTYGPFG-IBGZPJMESA-N 404.474 1.692 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)CC2=O)c1 1855537061 BOIHZSHJKPWWFF-IAGOWNOFSA-N 412.490 1.659 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3CCN(CCCC#N)CC3=O)nc12 1855545531 HUBPLCRFIQMXOD-UHFFFAOYSA-N 401.492 1.716 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCCO4)C(=O)C3)C2)s1 1856347760 QNYCEJZDEWXOIV-MAUKXSAKSA-N 402.520 1.434 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1856430278 DMQWUCQWFVCOGG-ROUUACIJSA-N 403.504 1.126 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@H](N(C)CCC#N)C3=O)CC2=O)cc1OC 1856554304 YWTYVOHAVFSGFN-HOCLYGCPSA-N 414.462 1.030 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2=O)CC1 1856556454 RWGYDWHBBQGYHG-GOSISDBHSA-N 412.494 1.070 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(CC(=O)C(C)(C)C)C3)CC2=O)cc1C#N 1856581146 PLIUQEANUFZSJR-IBGZPJMESA-N 410.518 1.841 30 10 HDEE C[C@@H]1CN(Cc2nncn2C)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856609916 XTRBWOBBFOVGKS-CQSZACIVSA-N 401.430 1.911 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 1856664317 LPLGCIQRWCPDSC-QAPCUYQASA-N 418.519 1.230 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@@H]1CCN(C)C1=O 1857080763 PFYFQTSQCIIYCI-PKOBYXMFSA-N 415.538 1.870 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C1=O 1857483621 VBSKMIJTTSJSAD-WMLDXEAASA-N 416.547 1.794 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858337218 XZIRBTRSMKAHBE-INIZCTEOSA-N 405.501 1.608 30 10 HDEE Cc1cc2cc(CC(=O)N[C@H](CO)C(=O)Nc3cccc(C#N)c3)ccc2nc1O 1866916415 WQQNOUXQZLTXCV-LJQANCHMSA-N 404.426 1.779 30 10 HDEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CCN1C(=O)c2ccccc2C1=O 1870107388 HAIRHFQVFVZBGN-UHFFFAOYSA-N 418.388 1.962 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2cccc(F)c2)cc1 1870107751 XDJYAQGKVMUJIY-UHFFFAOYSA-N 414.422 1.961 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CSc1ncccn1 1870301084 FVFOIGPJBYUWCT-INIZCTEOSA-N 416.503 1.791 30 10 HDEE COc1ccc(-c2nc([C@@H](C#N)C(=O)CN(CCO)CCO)sc2C)c(OC)c1 1872799947 NREHSBUSQBYCPY-INIZCTEOSA-N 419.503 1.599 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nn(C)c4ccccc34)CC2)CC1 1889484129 KLDYBURYWIMCIB-UHFFFAOYSA-N 423.561 1.835 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3ccc(C#N)cc3)CC2)n1 1889492446 HJWXUMKVISQRPW-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE CCN(CC)CC#CCNC(=O)CN(C)c1nc2c(S(C)(=O)=O)cccc2s1 1890870008 QQJMJDMIKGSEBJ-UHFFFAOYSA-N 422.576 1.597 30 10 HDEE C=C(Br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c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217484899 YECQROAZQANHFD-CABCVRRESA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2243477648 LPUUFJKVEQADFK-UHFFFAOYSA-N 406.288 1.946 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247824263 WMPQAQGQDNRVIP-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826257 QUFXHGMRZNSCIM-QWHCGFSZSA-N 420.319 1.600 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836639 FSQDCLAPQXJTCQ-UHFFFAOYSA-N 422.291 1.352 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247913156 REPFMYYJZYVTMN-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)n1 2247915309 ZEWFASNMICPEHX-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2250272851 PTGQJLNCGJXHSA-OLZOCXBDSA-N 420.319 1.742 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(CC#N)CC#N)cc2Cl)OC1(C)C 2267354540 JGHBIAAKPAOMFO-UHFFFAOYSA-N 401.706 1.739 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)CCN 2267707710 WGRDXVHZJREISK-DEOSSOPVSA-N 408.376 1.101 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2270529820 XQQIXQIYDFAZTP-GOSISDBHSA-N 422.503 1.520 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 2281821749 FVEPUDNIDUETTQ-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE C[C@@H](O)[C@@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332125 WPIPTYUKCMNGFV-OCCSQVGLSA-N 401.359 1.971 30 10 HDEE CC(C)NC(=O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339201 WUOCWFOKUIJSQB-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3CCCO)s2)OC1(C)C 2282424489 CNLNBFYDNVLREW-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CC(C)[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493511 WQCNHNKXLOIDCN-DZGCQCFKSA-N 401.359 1.827 30 10 HDEE CCCN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282498845 KHVHRMTXECAIRZ-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)CC[C@H](N)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502617 NQQVWPCNPKPACL-LBPRGKRZSA-N 400.375 1.938 30 10 HDEE CO[C@H]1CC(=O)N(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282505526 FPCRFWIJHVPJNF-LBPRGKRZSA-N 401.315 1.124 30 10 HDEE C[C@H]1CC[C@@H](O)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836370 IXBNAQCXLGLFOL-NWDGAFQWSA-N 402.347 1.117 30 10 HDEE CON([C@@H]1CCOC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282838102 JGJBKBPSLLCFHW-GFCCVEGCSA-N 403.331 1.697 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@]2(F)CCOC2)sc1B1OC(C)(C)C(C)(C)O1 2282844163 YZTWBDULLIQKIY-INIZCTEOSA-N 405.322 1.763 30 10 HDEE COC[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1=O 2282852027 KJYMNIRJXMJDJJ-LLVKDONJSA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCNCC3(F)F)c2)OC1(C)C 2282856421 RWEWTZJZJMQMSX-LLVKDONJSA-N 408.301 1.323 30 10 HDEE CCN1CCC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860446 AIAYOZVYDCUCIA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@H](CNC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2283089087 QQZVZAPOSNEZIA-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CCN(C(=O)OCc3ccccc3)C2)[C@@H](C)C1=O 2345080040 HUIXNKFZYXKOIJ-HRAATJIYSA-N 401.463 1.571 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2365200201 WLUJZBXWQJXVJF-BEFAXECRSA-N 404.573 1.799 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2367788281 NKXIQPONLAVBLI-HOTGVXAUSA-N 400.541 1.429 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367817019 JPMOJTQDVZTQRR-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc(C#N)cc1 7734376 QTKJBUKIYVITLR-LBPRGKRZSA-N 405.407 1.546 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)Nc1sccc1C#N)C2=O 10055224 NQAOWXQGHIAQEH-UHFFFAOYSA-N 404.448 1.602 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(=O)Nc4ccccc43)CC2)cc1 15854634 VFCQEZRMDZXHMW-UHFFFAOYSA-N 424.482 1.944 30 10 HDEE Cc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 72443894 YTYBVKZRBFFPJF-HUUCEWRRSA-N 406.446 1.004 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C)[C@H](c3cc(OC)c(OC)c(OC)c3)C2)c1=O 101767413 CAQUNYJYSMLJTO-ZDUSSCGKSA-N 416.434 1.235 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1 108068293 ZIQINCSYGWAUAO-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 238817670 BWAVSGHROKWDCV-LLVKDONJSA-N 408.461 1.428 30 10 HDEE CCOC(=O)c1cnc2oc(C=NN3C[C@@H](CN4CCOCC4)OC3=O)cc2c1O 263600761 KJBJCWYPEPHOKQ-CYBMUJFWSA-N 418.406 1.197 30 10 HDEE CC(C)N1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(F)c(F)c1 302024571 JTSBVXJPLGUJLW-SJORKVTESA-N 403.433 1.870 30 10 HDEE C[C@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)C(=O)[C@@H](C)n1cnc(C#N)n1 409951328 LBVHENKRIDIYIX-ZIAGYGMSSA-N 402.480 1.470 30 10 HDEE CSc1nc(O)c(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)cc1C#N 462751918 BBJLUHVYUIASHY-UHFFFAOYSA-N 403.439 1.681 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](Cc3ccccc3)CN(C)C)CC2)c1C#N 472110222 IPHZMSSCNJFVKZ-IBGZPJMESA-N 409.538 1.605 30 10 HDEE CCc1nc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n[nH]1 482003711 BCCKTELADQGVFH-CYBMUJFWSA-N 416.507 1.312 30 10 HDEE COc1ccc(F)cc1CN1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489049621 GTPVBQJXFANZML-UHFFFAOYSA-N 404.467 1.916 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)cc1C#N 489692140 QTRKLWITDUJZGJ-XLIONFOSSA-N 400.504 1.423 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)CC1 491876721 UAPHIFQSNPYBIX-UHFFFAOYSA-N 421.441 1.236 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 496307418 UQNIZGCVBDNOIO-CQSZACIVSA-N 413.441 1.855 30 10 HDEE C[C@H](C(=O)Nc1cc2c(cc1N1CCCCC1)n(C)c(=O)n2C)n1cnc(C#N)n1 500288226 NMSWIHFMWCODIB-CYBMUJFWSA-N 408.466 1.530 30 10 HDEE Cc1ccncc1N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 500682995 GNEWYNCZWDRMDN-UHFFFAOYSA-N 413.503 1.544 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)cc1 503454596 ODKIXEQAGOYUFU-XYGUZDGESA-N 405.479 1.725 30 10 HDEE C[C@@H]1CN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CCN1c1nccn2cnnc12 503607542 IOKKRYQOTJYVPT-JLTOFOAXSA-N 413.482 1.423 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508868602 WAVDREYAKBVQRS-PBHICJAKSA-N 404.492 1.848 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 514917497 AJELHHZHOSIYLG-UHFFFAOYSA-N 408.458 1.462 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 534371317 XXDKSOYTOBRKOA-NXHRZFHOSA-N 407.492 1.287 30 10 HDEE Cc1c(C#N)c(NC(=O)CCN2CCN3CCOC[C@@H]3C2)n(Cc2ccco2)c1C 541699991 GUWNKDLVBJRSNO-SFHVURJKSA-N 411.506 1.963 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3ccccc3)CC2)n1 544834582 HTHXKRBSOZULTG-FQEVSTJZSA-N 403.486 1.836 30 10 HDEE C=C(C)Cn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555259134 ZUPDJNNVQGQXHG-UHFFFAOYSA-N 410.522 1.502 30 10 HDEE N#Cc1ccc(CN2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 558567918 UTOCDPMGOHDGDT-UHFFFAOYSA-N 418.441 1.272 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CSc1nnnn1CC(F)(F)F 564235153 SDIKBCMJSMBDRB-UHFFFAOYSA-N 414.413 1.874 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 564354947 HVVJNUJGBWBYMN-KRWDZBQOSA-N 401.486 1.146 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 574846709 NIBOSQIUQMIDRO-CYBMUJFWSA-N 404.414 1.765 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669802654 PJOZRHOYWMXVAZ-MRXNPFEDSA-N 417.514 1.622 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2CC2CC2)CC1 725441586 KEXVWSJDCUJSNO-UHFFFAOYSA-N 420.384 1.874 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCN1CCOC1=O 728277636 QLXYDUCLRBLJHD-UHFFFAOYSA-N 422.507 1.244 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669897 VKAMKKXTFPQBTN-UHFFFAOYSA-N 410.499 1.322 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CCN(c2ccc(F)cc2)C1 732453478 DSLOMONBXKAKEL-HLAUDOPJSA-N 401.442 1.478 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1C1CC1 732652264 SYGNELMVRSPTMT-YJBOKZPZSA-N 420.510 1.425 30 10 HDEE C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 732701193 LJQBNHQZQXPOPZ-RHSMWYFYSA-N 405.524 1.380 30 10 HDEE N#C[C@H](C(=O)c1ccn(-c2cccc(Cl)c2)n1)C(=O)N1CCS(=O)(=O)CC1 732909417 BHXOSPRFQIKTOF-CQSZACIVSA-N 406.851 1.105 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n([C@@H](C)c3ccccc3)c2=O)cn1 735069386 TXPZSQABDHEQGR-HNNXBMFYSA-N 421.526 1.375 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(S(N)(=O)=O)c(Cl)c1)c1ccc(C#N)cc1 740237215 SOYZDZADUIGTOP-HNNXBMFYSA-N 408.819 1.930 30 10 HDEE COc1ccccc1[C@]1(C)C[C@@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 741712627 WTGBJPYPGWSCQS-RXVVDRJESA-N 413.499 1.970 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)cc1 744007524 KYYBTYFLIROLEO-SFHVURJKSA-N 412.471 1.452 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)Cc3ccc(OCC#N)cc3)cn2)c1 748992900 ZYCXBMQMIMXOFF-UHFFFAOYSA-N 411.443 1.526 30 10 HDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1CC(F)F 751924890 PBNAAFZPEZUMPP-CQSZACIVSA-N 414.478 1.960 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](O)c1cc2ccccc2s1 757684958 IDYSBNBQTQYVLQ-DNZUHHBVSA-N 400.460 1.760 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)Nc1cnn(-c2ncccc2C#N)c1 764431498 ZCNZLCSKEDUQMM-UHFFFAOYSA-N 416.445 1.902 30 10 HDEE Cn1ccnc1[C@@H](O)[C@@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 764739240 ATGQJJHEYCBBBS-WBVHZDCISA-N 406.450 1.850 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2cccs2)CC1)[C@@H]1CCS(=O)(=O)C1 774188279 UGQQYTUAGGVPPC-QGZVFWFLSA-N 409.577 1.792 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cc1 777345007 PACJJBGIWHNXPG-GOSISDBHSA-N 415.471 1.826 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)N(C3CCCCC3)C2=O)n1 788366905 RFLATVPZNLJJIX-UHFFFAOYSA-N 401.467 1.046 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)cc1C#N 792352428 MZWKPOXEWSFTSQ-UHFFFAOYSA-N 420.425 1.865 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccoc2)c1=O 794575945 CCIYXCOKRPOYKP-MRXNPFEDSA-N 416.499 1.428 30 10 HDEE CN(C)C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Cl)cc1 802142491 BCKXYNZQQLZXAG-DVEDPGPFSA-N 405.886 1.768 30 10 HDEE COCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802515183 MOUWXWAJCDAAAG-LJQANCHMSA-N 410.522 1.895 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 805123755 AHPIZSHMEIDXMK-UONOGXRCSA-N 415.446 1.895 30 10 HDEE C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1=O 815210686 HQPFEYXSNRTXKK-QCKGPHSXSA-N 415.421 1.947 30 10 HDEE N#Cc1cccnc1N1CCN(Cn2nc(C3CC3)n(CCC(N)=O)c2=S)CC1 887546323 LJQOVWBNIOVNGN-UHFFFAOYSA-N 412.523 1.213 30 10 HDEE CCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 1084156146 HRHWIGOOYKVOHV-UHFFFAOYSA-N 407.504 1.130 30 10 HDEE CCOC(=O)C(C#N)=NNc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1 1084472768 GAWYNVOVPJDNGG-UHFFFAOYSA-N 408.465 1.756 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1O 1084629615 VPTZMBDBBMEIFT-UHFFFAOYSA-N 414.451 1.278 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2=O)cc1 1132075546 RFEFCBJLZTVMAB-CTNGQTDRSA-N 419.485 1.323 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 1136697179 IOUDKKNFGLGGST-HXUWFJFHSA-N 416.522 1.040 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NN3C(=O)c4ccccc4C3=O)CC2=O)cc1Cl 1138075782 UISZCMVVXLLLKH-LBPRGKRZSA-N 408.801 1.892 30 10 HDEE CN(C)[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1141411662 HMAIVPXCLHNMSQ-QZTJIDSGSA-N 404.536 1.512 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C)C[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1142444205 OEPBXGXVEONZFQ-UONOGXRCSA-N 422.482 1.520 30 10 HDEE COC(=O)[C@]1(F)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1149485480 ZVNDKMBWLPAODU-DMPORUKFSA-N 409.458 1.887 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)s1 1155932504 RRCGOAPCGOGUSD-KSSFIOAISA-N 414.549 1.551 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2ccc(C#N)n2C)CC12CN(C(=O)OC(C)(C)C)C2 1156987085 RQANQHRSUFOEKK-CQSZACIVSA-N 402.451 1.379 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)C1=NN(c3ccc(F)cc3)C(=O)CC1=O)C2 1158225564 VRMQAUYGZXVFKY-UHFFFAOYSA-N 411.418 1.588 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)c1 1158575465 WDSXLYBXHGBDMS-HNNXBMFYSA-N 418.475 1.399 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)NCCCC)CC2)c1 1169679577 UAXLTMWRBIZSKI-UHFFFAOYSA-N 419.547 1.158 30 10 HDEE CN(C[C@H](O)CN(C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1175399328 KFQABVPUGKTRIS-MSOLQXFVSA-N 402.495 1.823 30 10 HDEE CC(C)CN(Cc1nn[nH]n1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1176602479 IJMXXLWWVAZQBR-RDYUPDBUSA-N 417.514 1.971 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C2CCOCC2)C1 1178651239 QALBWJGWFLHGQC-QAPCUYQASA-N 405.520 1.890 30 10 HDEE Cc1c(Br)cc(C#N)c(=O)n1[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O 1189104763 VILHZTYVDKNGOZ-ZDUSSCGKSA-N 410.268 1.906 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)cc1 1197603929 YBGAIPFMNRGXJG-XRXFAXGQSA-N 415.534 1.624 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1208652293 YUMVRGJFEVSMLM-UHFFFAOYSA-N 423.260 1.427 30 10 HDEE COC(=O)[C@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C[C@@H](C)C#N 1213939165 CBDOWFCYTJWTPK-FZMZJTMJSA-N 418.313 1.459 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)c3ccc(-n4cnnn4)cn3)ccc21 1269324426 UNSORZNHUUBBFP-UHFFFAOYSA-N 402.418 1.893 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@@H]1C1CC1 1286274221 MXXSIEYNOBSFPM-BFIPOCKSSA-N 409.556 1.551 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1286274856 PHVLBSOROZJVJI-KBPBESRZSA-N 421.523 1.412 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1286360441 GXKUSIBBHMMCCU-GFCCVEGCSA-N 410.569 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccc(F)c1)N(C)C 1286415522 KYHOCIWMOOQLFA-HXUWFJFHSA-N 422.508 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N(C)C 1286428917 AHXGXBGLLITNOM-UHFFFAOYSA-N 403.490 1.458 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@H](O)C1 1286440973 OMAWKRMPDRDRIE-LPHOPBHVSA-N 406.494 1.931 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1286453516 VBDFSFGCXZWOFD-GDBMZVCRSA-N 403.508 1.352 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286564985 ZVNNFGQVRYQVHD-ZOBUZTSGSA-N 418.523 1.340 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC2(C)C)CC1 1286646749 VUNMZKAQNHBVLX-HZPDHXFCSA-N 409.556 1.814 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCOCC1 1286746090 OHXXMLVKIXHWCU-LJQANCHMSA-N 411.506 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1286785712 QNKDRJAMUJZTSV-IIBYNOLFSA-N 412.494 1.417 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286785885 SRAGWVCUBHUMOY-UHFFFAOYSA-N 411.510 1.337 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1286792690 FMEFPFBQLDOGEO-INIZCTEOSA-N 412.519 1.910 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccccn2)C1 1286808992 OUHUKYIWUJKWQV-SJORKVTESA-N 411.510 1.908 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1286828917 AKXSYBUXEPBEQD-KGLIPLIRSA-N 419.511 1.418 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1286963351 PNOCWPGPGJGQJY-ZDUSSCGKSA-N 417.424 1.798 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C1 1287788364 JEFSGOFCJOANSH-KZNAEPCWSA-N 404.515 1.215 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCOCC2)CCOC1 1288281762 NARLVCOWSWBDST-GHTZIAJQSA-N 420.558 1.779 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)cc1 1289361068 AMPJHVHENSNSOK-RDJZCZTQSA-N 407.492 1.146 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1291306777 GMBYDPUQECZPIO-HZPDHXFCSA-N 400.458 1.534 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1cnc(I)c(O)c1 1292157149 CWYXBVBOJLHVCT-UHFFFAOYSA-N 409.187 1.500 30 10 HDEE C=CCN(C(=O)CN(C)c1ncnc2[nH]cnc12)[C@@H](Cc1ccccc1)C(=O)OCC 1296420885 NVIVNXCVGLRIKF-KRWDZBQOSA-N 422.489 1.978 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)CC2(C#N)CCOCC2)c1 1297779910 JBUNFWLQZHIGNL-UHFFFAOYSA-N 422.551 1.956 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1297797413 XTTUVFYIZIADBV-JMGYQRAPSA-N 404.452 1.351 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1298587461 ZQVMBFBECHGMTD-OAHLLOKOSA-N 400.456 1.171 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1300008266 OKXVVSLKNRVAEC-IMFGXOCKSA-N 404.532 1.806 30 10 HDEE Cn1cnnc1N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1300147754 MKULSGKURUCAEC-OAHLLOKOSA-N 405.503 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H](OC)C(F)(F)F 1300274682 YMQJJXGJNYUMMJ-QJPTWQEYSA-N 411.450 1.314 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1300949459 YUOMSIRVNIZCMA-HNNXBMFYSA-N 400.508 1.829 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)N1CCN(CC)CC1 1301313226 ZRWLEGCFMXSOTQ-QYZOEREBSA-N 406.575 1.650 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301490533 ADRXCTZMELNDAW-OAHLLOKOSA-N 411.510 1.081 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301500894 QNWXKGUAALYAKT-SJORKVTESA-N 415.498 1.133 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1301688905 YMNHITCTWRFMCG-KSZLIROESA-N 402.499 1.159 30 10 HDEE CN(C)C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1302115080 GZCFEVFOAJQEPY-AWEZNQCLSA-N 409.368 1.258 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cccn1 1302287245 SPDHBUPGWAVEID-BXWFABGCSA-N 403.462 1.731 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CC(=O)c2ccccc2O1 1302558838 BEBUGVRQHYCTQN-DZGCQCFKSA-N 413.455 1.375 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)C1 1303557502 SSVLPFGJBWEZNB-KRWDZBQOSA-N 407.511 1.440 30 10 HDEE C#CCN(C(=O)CCC[C@@]1(C)NC(=O)NC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303656393 VYLODAVPAXAARN-OAQYLSRUSA-N 420.510 1.616 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(OC)c(OC)c2C)c1 1303954751 ZCRXQKIPFVZBPQ-UHFFFAOYSA-N 402.472 1.854 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC(=O)N1 1305522329 HMLQANWTGAPPSN-DOTOQJQBSA-N 408.510 1.663 30 10 HDEE Cn1c(=O)[nH]c(N2CCCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c1=O 1307207378 QEDYOUYTHDKGFE-FQEVSTJZSA-N 403.483 1.563 30 10 HDEE C=CCN(Cc1nnc2n(CC)c(=O)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1 1307537709 IOVVTTVIDLQBAC-AWEZNQCLSA-N 401.492 1.239 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCCS(=O)(=O)C[C@@H]2C)cc1 1310130470 CYZCPFNJUOKARA-AWEZNQCLSA-N 415.537 1.534 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)COc3cc(C)cc(C)c3)CC2)nn1 1312897999 FIJGJOSXEMBJPF-UHFFFAOYSA-N 412.494 1.514 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCCC2=O)c1 1316529757 DMXJXGVOEQVPKX-IBGZPJMESA-N 419.489 1.948 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1358870424 NBQCSLWOUWHZRN-HNNXBMFYSA-N 409.494 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCOC 1358885623 NJLGFAOIXRXTPI-OAHLLOKOSA-N 420.539 1.359 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1358937893 KOYIYMPTIMESSN-UHFFFAOYSA-N 402.886 1.457 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNC(=O)c1cc[nH]n1 1358941458 KSVSDHDJFHVYSW-UHFFFAOYSA-N 415.404 1.769 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1CCN(C(=O)OC)CC1 1359021952 HXNAFSCAERZVNA-UHFFFAOYSA-N 414.510 1.848 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN(C)C(C)C)CC1 1359031342 YONPEJQKZMATNQ-JOCHJYFZSA-N 418.586 1.416 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(N3CCOCC3)c2)CC1 1359039812 XAQFMQBIVUZONU-UHFFFAOYSA-N 424.549 1.455 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359061470 CRNLOYFLLBKIRX-SFHVURJKSA-N 406.600 1.397 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCNC(=O)c1cc[nH]n1 1359065419 QBJUTMDBJIHMHB-MGPUTAFESA-N 415.498 1.147 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1359183231 GMMVBHKNOGFKGX-ZIAGYGMSSA-N 412.560 1.192 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1359288636 OQHAHEJAOPJEST-UHFFFAOYSA-N 424.534 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CCC(N)=O)CC1 1359296319 FIWAJYUUPIDQEX-UHFFFAOYSA-N 421.505 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2ccccc21 1359332196 RIYOMVFFWAPISH-OAHLLOKOSA-N 401.492 1.524 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnc4n3CCC4)C2)C1 1440898354 FNTYNTXHEGBOAU-LQZXRHCMSA-N 400.483 1.627 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCn3nc4n(c3=O)CCCC4)n[nH]2)c1C 1441720302 BAPAMFAOMWINHT-UHFFFAOYSA-N 424.509 1.591 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1443052314 KYKXNOYPTBRMMC-MRXNPFEDSA-N 405.499 1.445 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1447726570 FCIKIYKYFNVZMW-ROUUACIJSA-N 423.535 1.091 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C(=O)OC 1448497989 UTQVUITXAQNUHP-JTQLQIEISA-N 402.201 1.414 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1454858825 VSTLSBORKONYJR-PBFPGSCMSA-N 405.838 1.259 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1nnc2c(=O)[nH]ccn12 1455735286 FNJJPFBIPVVEIE-UHFFFAOYSA-N 405.418 1.141 30 10 HDEE Cc1noc(C2(NC(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n1 1457163140 QUYIIEJVHGQVES-UHFFFAOYSA-N 417.491 1.782 30 10 HDEE COc1ccc([C@@H](NC(C)C)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1457740655 AUZDXHAYWRDQIO-HXUWFJFHSA-N 410.522 1.997 30 10 HDEE C#CCCN(CCOC)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1461785638 VEQJLUJYOHSLNT-UHFFFAOYSA-N 417.325 1.568 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)[C@H]1CCCO1 1463554899 CBGMTIQMNCMLCZ-QWHCGFSZSA-N 402.266 1.695 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)n1 1466384184 UXHDIJLOIRZVHA-GOEBONIOSA-N 409.837 1.766 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1 1470281770 PQBGXEODEWJMBA-SJLPKXTDSA-N 423.473 1.234 30 10 HDEE C[C@H](CC(=O)N1CCC2(CC1)CC(=O)C=CO2)/N=C1/NS(=O)(=O)c2ccccc21 1472150866 QOSYQWLCMHHSCH-CQSZACIVSA-N 417.487 1.368 30 10 HDEE COC(=O)c1cccc(CN(C)CCOc2ccc(S(N)(=O)=O)cc2F)c1C#N 1473541853 HSOHERGAXFZCQB-UHFFFAOYSA-N 421.450 1.642 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 1474681491 ICYDNVVKYFUXTB-UHFFFAOYSA-N 409.405 1.352 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3nnc(O)n3C3CC3)CC2)c1 1479162150 KBXTZYLBQLRSNP-UHFFFAOYSA-N 409.450 1.751 30 10 HDEE COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504752218 OPFGQNQDSMLLNH-FQEVSTJZSA-N 400.483 1.724 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1c(C)noc1C 1504999721 OSRWDWRUZXPODS-CVEARBPZSA-N 404.471 1.578 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCC1 1505083695 ZZVSTUVBWBPNQI-KSZLIROESA-N 404.515 1.217 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1505128519 ZJBJOMGBUNYKML-BHYGNILZSA-N 419.482 1.883 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1505322476 OQQKDHOLKKNPNK-JSGCOSHPSA-N 422.898 1.157 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)COC2CCCC2)CC1 1506350026 HFTAUIXGBJEWCW-JRHPMUGDSA-N 400.519 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1507547525 LVZOBQWXRCFFLU-QYZOEREBSA-N 418.586 1.486 30 10 HDEE C#CCCCn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1507598145 BZKKLPYGYUMVEQ-WOJBJXKFSA-N 422.551 1.359 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H](C)CN2CCCC2)CC1 1507739892 LOVMUJOXHNHTGX-SFHVURJKSA-N 412.582 1.928 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN(CC)CC)C1 1507753619 HKDXOYDXDABAJK-IRXDYDNUSA-N 404.584 1.764 30 10 HDEE C=C(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OCC)CCOC1 1507835008 GDEDHJMPIXFSJA-HXUWFJFHSA-N 400.483 1.163 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1507929023 KHGSFNXNQKXKPK-UHFFFAOYSA-N 404.496 1.517 30 10 HDEE CC(C)NC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1509758901 OFANCEUCQOIMKY-RBUKOAKNSA-N 408.478 1.285 30 10 HDEE Cc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2cnnn2)cc1 1510995910 ZOMVARHHHGFBMR-IBGZPJMESA-N 411.445 1.684 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1515803740 DIAOGJVVEGWYDV-ZBFHGGJFSA-N 404.463 1.588 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1518767059 USBUMLZMUCXEFY-DLBZAZTESA-N 415.473 1.707 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)n1 1524967991 IRFFLRDJFPNSLF-HRAATJIYSA-N 402.495 1.748 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)CC2(C#N)CCOCC2)cc1 1525675474 VPDOYKHREOCFNH-UHFFFAOYSA-N 408.476 1.101 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@@H](C)O1 1530117160 IGXZGSQOGWVHKR-YESZJQIVSA-N 407.536 1.992 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3ncc(-c4ccccc4F)o3)C[C@H]1CS(=O)(=O)C2 1538308744 RPIDTFKJASWTJK-DJJJIMSYSA-N 403.435 1.810 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1538964175 IFZGBBRGZIAQRX-CQSZACIVSA-N 418.448 1.986 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C2CCOCC2)C1 1539120391 UOGZDVAQZORRTR-ROUUACIJSA-N 406.552 1.847 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1539175473 YORHCTXOCFQLNU-IRXDYDNUSA-N 408.506 1.834 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539215528 DXMQHVJBRQZFDD-HNNXBMFYSA-N 405.524 1.715 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C1CC1 1539250445 NSUZYBRYPKWYIW-KRWDZBQOSA-N 415.505 1.476 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C)nn1C 1539408990 KTJAUJZNUGQQOK-UHFFFAOYSA-N 411.466 1.182 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC(S(C)(=O)=O)CC1 1539512219 ALEXQONNBNSYCP-INIZCTEOSA-N 412.581 1.900 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1539517413 NFGAVJZNWQFMMX-OALUTQOASA-N 419.595 1.840 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)[C@H](C)CC 1539538153 DPBGKRCRMBGUQA-PASDCYSWSA-N 411.572 1.942 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539722779 RPSCLLBDDJXJDQ-DLBZAZTESA-N 407.515 1.347 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1539783465 WCJCDGRNOFBRJP-AWEZNQCLSA-N 406.830 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)s1 1540869484 OPRIVQHNXRFMJT-GFCCVEGCSA-N 408.915 1.883 30 10 HDEE C[C@](O)(CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1541952958 GFPJLXPJYYNGSY-UTKZUKDTSA-N 405.462 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)[C@@H]2C1 1542978670 VAHWRLPWLYTCHT-YCNNZOKISA-N 404.467 1.132 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)n1 1543027661 LFUWXNOPKTXSRE-UHFFFAOYSA-N 424.509 1.421 30 10 HDEE CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1547358454 BDWYGUAYZYWMHT-AWEZNQCLSA-N 414.491 1.810 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1548184994 IWFVBERURZXFRU-WMZOPIPTSA-N 410.478 1.596 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1555990291 AXHUXVXBELMUHG-KRWDZBQOSA-N 413.503 1.930 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)CC(F)(F)F 1557396469 OCQWLMWLVKNMHA-NSHDSACASA-N 400.419 1.386 30 10 HDEE COC(=O)c1ncoc1CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1558086309 MUODOFUQCGWXNR-UHFFFAOYSA-N 400.240 1.999 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1 1562638532 SWBBOMRFFWSMBK-UHFFFAOYSA-N 402.480 1.354 30 10 HDEE Cc1cc(I)ccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1587001834 WJGRDYWCTMFIDQ-UHFFFAOYSA-N 410.171 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cccc(C)n1 1587639449 LVHKHRADUHYQBP-IAGOWNOFSA-N 401.536 1.974 30 10 HDEE Cn1nc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1NC(=O)OC(C)(C)C 1587910064 COQWCAGUBBFQNQ-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCC(=O)N1CCOCC1 1587940434 WAIAIDFGVPYGHD-UHFFFAOYSA-N 417.897 1.925 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588049538 IBMCHYNQEIUQOA-HZPDHXFCSA-N 401.492 1.245 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1588120673 QLTHISYIMXTOKZ-SFHVURJKSA-N 413.485 1.805 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1nnnn1CC1CC1 1588166895 STGNCNFXDBYASE-UHFFFAOYSA-N 420.452 1.514 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2nccs2)CC1 1588733102 NGEGUDVLPJENPJ-OAHLLOKOSA-N 401.540 1.432 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)N(C)C)CC1 1588849054 XGPFQGUXVOQQSA-UHFFFAOYSA-N 410.522 1.111 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1593621567 UYZTTWAVGFHGMT-HNNXBMFYSA-N 402.466 1.688 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)(C(=O)NCCNc2ncccc2C#N)C1 1597739126 ZJJKTUACLDRKHO-FOIQADDNSA-N 403.483 1.944 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1ccc(F)c(C)c1)c1cc[nH]n1 1611101957 GLOUWLZHUUXMGD-MRXNPFEDSA-N 420.397 1.172 30 10 HDEE O=C1C=COC2(CCN(C(=O)CSCc3cc(=O)n4ccsc4n3)CC2)C1 1611532237 LTDKSEMCLFOOBL-UHFFFAOYSA-N 405.501 1.854 30 10 HDEE C[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)COCCO1 1611804181 MIRFIKNBVYDDNP-QFBILLFUSA-N 423.539 1.116 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1616346311 HILJTQSREJLIND-YMPWJXGJSA-N 404.467 1.417 30 10 HDEE N#CC1(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CCCCC1 1617977378 MTGIZXFHMPAQDK-UHFFFAOYSA-N 411.549 1.902 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)CC2=O)cn1 1626963150 XIAWESFHHNKJMB-ICSRJNTNSA-N 423.473 1.354 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 1627464157 LFIRWQDYZJHLLN-INIZCTEOSA-N 423.210 1.623 30 10 HDEE COc1ccccc1[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)N1CCCC1 1628258588 BLYGBOMKSOJCSH-QGZVFWFLSA-N 411.462 1.173 30 10 HDEE C[C@@]1(C2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)NC(=O)NC1=O 1628791658 VUVKNIFQKDGKFL-NRFANRHFSA-N 411.462 1.504 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(Cl)cn1 1628964735 CSQAQJPYLXSCSN-OAHLLOKOSA-N 418.906 1.989 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccncc1)C(=O)OC 1632903871 MMFJIFFTAVTTBC-IRXDYDNUSA-N 403.479 1.836 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2)CC1 1633164809 ZRFFKAINPKEJME-KRWDZBQOSA-N 400.523 1.927 30 10 HDEE CN(C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1633314088 QHDKQGYSEIFIJU-CQSZACIVSA-N 405.455 1.069 30 10 HDEE C#CCN1CCC(NC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CC1 1635166450 NGEPILBFDABVMZ-UHFFFAOYSA-N 417.556 1.970 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C(=O)/C=C/c1ccc(F)cc1 1637699345 UOXSJVAXUKOKPE-LFYBBSHMSA-N 419.478 1.650 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)COc3cc(Br)ccc32)C1 1638075740 UFXQZNYNQAKFII-AWEZNQCLSA-N 406.280 1.388 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2CCc3c(C#N)cccc32)C1 1638475899 ZXEPXDZSQXJPON-OAHLLOKOSA-N 419.503 1.872 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1644134937 DXSLIKSADBCAQY-FUCXHRTASA-N 412.533 1.237 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(F)cc1F 1644858015 LVQZESYBWFVCEX-DNTCVELPSA-N 421.400 1.992 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2ccn(C)n2)C1 1645693402 DREIHLUFIKSYIN-HOCLYGCPSA-N 401.492 1.365 30 10 HDEE N#Cc1csc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1 1647980225 SEPMDAWMBFRNCW-AWEZNQCLSA-N 406.489 1.402 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCC1 1648028777 NNLDXQDHYVOLDL-UHFFFAOYSA-N 403.439 1.041 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155616 JSQJODKUWABIBO-ZOCIIQOWSA-N 411.524 1.420 30 10 HDEE CC(C)OCc1ccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1648503737 TXNIFIMASQXQQI-AZUAARDMSA-N 405.520 1.098 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](Nc1nc3ncccc3cc1C#N)CCS2(=O)=O 1652307425 FTIWYRRNENKDCO-XAUUPUKJSA-N 400.460 1.812 30 10 HDEE C=CC[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1654925419 YCDFTHHWTVDSAM-INIZCTEOSA-N 422.503 1.736 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cnccn3)[C@H](C)C2)c1 1657431405 PSHDEWUKZYMOSL-OAHLLOKOSA-N 401.492 1.292 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(Br)c1F 1662999484 VXBKUEJTYWOFGL-UHFFFAOYSA-N 404.254 1.606 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1665329851 RNHGADYWWXUAAQ-RTBURBONSA-N 408.520 1.993 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 1665812081 ZJAZMNNIJCVNPK-CYBMUJFWSA-N 416.450 1.144 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)c1ccccc1 1666450424 OMDFVINZDFPCKD-LJQANCHMSA-N 401.488 1.785 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 1668169634 UJKJDGJHDFDALW-OQKWZONESA-N 417.495 1.599 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C(=O)N2CCOCC2)ccc1OC)C1CCOCC1 1668514913 VPPUOHFPPGINDM-KRWDZBQOSA-N 401.463 1.718 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)[C@@H]2c2cccc(C)c2)c1 1670567354 ICWRRAUUSXRZHN-IBGZPJMESA-N 413.499 1.773 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H](c2ccccc2)C(F)(F)F)CC1 1671865673 MPKVIHTTWQSFLR-OAHLLOKOSA-N 418.441 1.127 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)c1 1672638359 GALACWPJKRJLKY-UHFFFAOYSA-N 405.414 1.793 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(N4CC[C@H](O)C4)CC3)C2=O)cc1 1681514798 COQFWJKIZXJEHA-VQTJNVASSA-N 411.506 1.294 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)C2)c(=O)nc1O 1681563365 UCCRYYMXGYXGSH-CQSZACIVSA-N 407.352 1.733 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCCC1 1686944643 CEFGAGMAVGYDHN-UHFFFAOYSA-N 421.479 1.695 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1689996249 FYAFJOHJIBVPCS-OAHLLOKOSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(F)(F)Br 1690025251 JRPXFTPRMRAGBZ-UHFFFAOYSA-N 400.227 1.461 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOC(F)F)CC1 1690113500 LJXRDSODETZOQA-IBGZPJMESA-N 413.469 1.315 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690172661 LDLYCHMXJQSJFQ-IXDOHACOSA-N 403.552 1.849 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1690490040 MVAWSFYEYCEJHR-UHFFFAOYSA-N 413.526 1.985 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C)C1CC1 1690545373 PKSIZRXSKHWDEF-IYJVBRSBSA-N 414.597 1.882 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCO[C@@H]1C)C1CC1 1690550387 VUOGBDZCHUNZSN-JLTOFOAXSA-N 417.535 1.964 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(C(=O)OC)CC1 1690720677 PROPBTJAEMTLCL-UHFFFAOYSA-N 419.507 1.330 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@](C)=O)CC2)CCOC1 1690995105 CVAZUXOAVBUOGQ-AMWLZVBYSA-N 409.556 1.826 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C(N)=O)nc2)C1 1692844997 AZQLDPITVJQVIB-QFIPXVFZSA-N 416.489 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1705488975 YCYQZFUWEWHZOD-KRWDZBQOSA-N 410.522 1.576 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1705549786 IDVGAAAOGSDKAN-JKSUJKDBSA-N 422.489 1.284 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564340 BSTLABUWLOPHRI-QWHCGFSZSA-N 406.430 1.361 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(S(C)(=O)=O)CCCC1 1705626135 JTXCRPTUSWAILR-UHFFFAOYSA-N 419.551 1.727 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)N(C)C 1705676398 ZXFCTPDHXKYUNL-LJQANCHMSA-N 402.524 1.147 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1706602997 GLGKXSKQMYSOJS-LJQANCHMSA-N 400.462 1.368 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCC(=O)N(C)C 1706630405 CKXNOPSUWATDOF-MSOLQXFVSA-N 423.521 1.638 30 10 HDEE COCC[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712352875 RXAXDABPFVRYQH-JVMRMLDLSA-N 416.526 1.866 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1Cc1cnnn1C 1712630549 WHPXHFKMUMPFMP-RDJZCZTQSA-N 400.487 1.309 30 10 HDEE C[C@H]1CN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1712847069 HWNFAQOJOBPHLL-AWEZNQCLSA-N 418.523 1.919 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1722294074 FYGUZRSDVBFHLV-KGLIPLIRSA-N 424.473 1.995 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1722303409 ZDKWRPWSQMOVQT-LJQANCHMSA-N 408.550 1.685 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722308220 IIGVJVUPXSTTSS-JXFKEZNVSA-N 405.499 1.837 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1722322294 RDBSEMQYDWJEJJ-MRXNPFEDSA-N 402.499 1.642 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1722398289 ZGIUYOMRANOLSH-QGZVFWFLSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1722404696 DMYSRSWOFRBCQN-FQEVSTJZSA-N 402.499 1.966 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccnc2OCC)CC1 1722435936 XFVKYLVPMWSBFI-UHFFFAOYSA-N 403.490 1.937 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCCC2=O)CC1 1722438528 UPWHFRJNBTYHPW-UHFFFAOYSA-N 422.537 1.283 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)C2CC2)CC1 1722450484 KBDDDVSSXYLMBE-UTKZUKDTSA-N 401.511 1.256 30 10 HDEE C=CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722619250 WNODFNNFLVNUKN-UHFFFAOYSA-N 413.530 1.312 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC1 1722679438 APTSCRBRHVZEPZ-UHFFFAOYSA-N 424.505 1.839 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCCN(C(C)C)CC1 1722700260 COQFVFBMTSJDFI-UHFFFAOYSA-N 417.583 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2)C1 1722709226 LFXJLLUWQKRITM-MRXNPFEDSA-N 408.466 1.489 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1722725274 HYBXPFAGOKVLTA-IAGOWNOFSA-N 418.567 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1722726444 FLMHQBLEFJFVIY-UHFFFAOYSA-N 407.540 1.253 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CCS(C)(=O)=O)CCOC1 1728789757 GINFCXPIXHTYPB-SFHVURJKSA-N 411.528 1.105 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1730785120 DZSHACSDZUPKLF-QFIPXVFZSA-N 412.538 1.992 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCc1nc(CC)no1 1740330210 YELLDCNWKGUHJG-NRKLIOEPSA-N 402.495 1.794 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740573349 BNANGSOLSLLTDX-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1740601838 ZXNUAELORIFLCB-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740627498 QTLYVBCVLLAHGA-HOTGVXAUSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCCN1CCN(CC)CC1 1740651869 NLFPNHIIEHDZOP-UHFFFAOYSA-N 407.566 1.774 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC(C)(F)F)CC1 1740704527 PLNKGMOSNYFDLV-UHFFFAOYSA-N 405.453 1.690 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc3nsnc3c2)CC1 1740705768 MDFUZOPOUXUYJY-UHFFFAOYSA-N 409.519 1.859 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@H]1C 1740794385 ZETMWZFDSOLJMN-CQSZACIVSA-N 404.540 1.893 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C 1740938118 ZCUCRLNRCSUBPX-OAHLLOKOSA-N 421.523 1.097 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CCCO2)CC1 1740951398 XMMRMYWKFONULW-MRXNPFEDSA-N 404.515 1.114 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](c2ccccc2OC)C1 1740957330 JVUVNEAGLDGGFI-MRXNPFEDSA-N 421.505 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnccn1 1740990847 HJJVSOYWKYEMOB-INIZCTEOSA-N 406.512 1.547 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1741129877 RJRMHSNNKWCSOA-NVXWUHKLSA-N 408.514 1.677 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1741686551 HYVVOSPKXWMZCC-SFHVURJKSA-N 421.505 1.542 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1741801638 BZFNRESJRZFMRX-SPYBWZPUSA-N 409.556 1.860 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OCCOC 1743783994 RVUGPTFOZMXHTG-RDJZCZTQSA-N 400.483 1.989 30 10 HDEE CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccc2C#N)CC1 1745670598 VSOFWZPPJXXPIB-INIZCTEOSA-N 415.523 1.183 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)C1 1748050722 HPPRFPWGBMYIPT-QHCPKHFHSA-N 424.549 1.872 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1748667372 SFYLZAUATOMJOO-QAPCUYQASA-N 408.506 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCCNS(=O)(=O)CC 1748677658 JRNUDRQMOIENSN-KRWDZBQOSA-N 403.552 1.965 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1748856067 RKGFFKNRVMSNNT-UHFFFAOYSA-N 418.501 1.964 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1748956449 SJFQNSXQRGQKAY-UHFFFAOYSA-N 403.508 1.393 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1)C1CC1 1749525206 LEGWEYKJBMWKBM-UHFFFAOYSA-N 407.540 1.380 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccccc1)C1CC1 1749678227 ZSVGQWHURVNFHU-UHFFFAOYSA-N 408.506 1.872 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C)[C@@H]1CC 1749721351 HXIPOLLLTMVCPU-HOTGVXAUSA-N 409.556 1.740 30 10 HDEE COCCOc1ccccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1750037585 CGDCQJRHRIWJTA-IEBWSBKVSA-N 413.478 1.932 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cn[nH]c2)CCOC1 1751027430 WYULWRYFXCQGMX-LPHOPBHVSA-N 401.471 1.013 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1760109927 IAXNMQYCAATQGV-AWEZNQCLSA-N 411.491 1.149 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1760175525 LMAUAMPWNBMZER-KRWDZBQOSA-N 407.540 1.571 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1sccc1C)[C@@H]1CCS(=O)(=O)C1 1760188590 PLAPHEKZAFSDFI-HZPDHXFCSA-N 420.560 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)NC)c1 1760209035 SHUOOZZTTBMJTP-UHFFFAOYSA-N 406.490 1.287 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1760233016 HSQWXBYQGKPUOH-UHFFFAOYSA-N 424.553 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CCCO1 1760246390 XFQLKMUAHNHGBW-NRFANRHFSA-N 422.493 1.576 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2nccn2C(F)F)CC1 1760257954 MSZOIKZCEIBITH-UHFFFAOYSA-N 400.437 1.679 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(C)(=O)=O 1760336098 UWIHSBPLZSVIAO-HOCLYGCPSA-N 406.512 1.197 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(CC2CCOCC2)CC1 1760516657 SCVNPFLCYQZEBN-KRWDZBQOSA-N 404.559 1.642 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)N(C)C)C1 1760539917 XTCSANJGNAEBGN-INIZCTEOSA-N 400.439 1.723 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(CCCO)CC1 1760555370 DSTGZVDZTWPSOZ-KRWDZBQOSA-N 412.556 1.372 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1760819337 BDNLZVKUVJJOQW-IAGOWNOFSA-N 410.478 1.450 30 10 HDEE CC(C)CCN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1761071321 COIDZGOACZZTMD-HTXNQAPBSA-N 410.482 1.744 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1761364312 SWOUHRWIWDQFNL-OAGGEKHMSA-N 411.528 1.114 30 10 HDEE CC1(C)CCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1761553280 HWSKSWUZURGOEY-WOJBJXKFSA-N 404.490 1.784 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCCO 1763226503 OPOQZJZDLFBJEL-INIZCTEOSA-N 401.467 1.353 30 10 HDEE O=C(Cn1cnc2ccccc2c1=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851707967 GSYKXXRCDYCANU-UHFFFAOYSA-N 416.381 1.657 30 10 HDEE CN1CCN(c2nc(NC(=O)c3c4ccccc4nn3C)c(C#N)cc2C#N)CC1 1852603998 NXOKUBMTGKAYBA-UHFFFAOYSA-N 400.446 1.716 30 10 HDEE Cn1nncc1C(=O)N1C[C@H](CN2CCC(C#N)(c3ccccc3)CC2)CCC1=O 1853813949 MVVUNKYODIDZTQ-KRWDZBQOSA-N 406.490 1.751 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1=O 1854242635 QUXOUYWITLEVSF-QGZVFWFLSA-N 404.417 1.400 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(Cl)ccn2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642675 URJZTBDXIOLTHW-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C[C@H]1CCN(C)c2ccc(C(=O)N3CCN([C@H]4CCN(CCC#N)C4)CC3=O)cc21 1855009617 IPHKCZOHAPREMQ-HKUYNNGSSA-N 409.534 1.902 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(C(=O)CN3CCOC3=O)C2)CC1 1855853715 YMMDOILFYDFPHR-QGZVFWFLSA-N 410.474 1.371 30 10 HDEE Cc1ccc(OCC(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)cc1C 1855977482 ZQDNUPZMCMZITM-UHFFFAOYSA-N 413.455 1.915 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)C3CCCCC3)CC2=O)cc1 1856239992 WOPXAUZSQNGSBV-UHFFFAOYSA-N 403.504 1.824 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(S(=O)(=O)CC)c3ccccc32)CC1=O 1856492118 FHTMLINBFRLSRD-LSDHHAIUSA-N 419.503 1.529 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)c2cccc(C#N)c2)C1)[C@@H]1CCS(=O)(=O)C1 1856624812 AYPJWMUGGAYRNB-PKOBYXMFSA-N 417.531 1.835 30 10 HDEE CCc1noc(CN2CCC([C@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)n1 1857062315 IATYADHEQDQYCD-INIZCTEOSA-N 408.462 1.800 30 10 HDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857178138 SWKHMJWKNITWMD-IAGOWNOFSA-N 402.470 1.642 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1857188059 DTZJDHQSSBDSOC-IBGZPJMESA-N 417.531 1.517 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857264735 OQFWTSYMEDXDEK-UZLBHIALSA-N 406.486 1.942 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@@H]1CCN(C)C1=O 1857316811 QUGRSZDPRVQECG-DOTOQJQBSA-N 419.909 1.813 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1OC 1858304063 FTFYZOJERSKYTE-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE CCCOc1ccc(/C=C/C(=O)C(=O)NCCN2C(=O)CSC2=O)cc1OC 1860734925 WIPAPODDJYGLFE-GQCTYLIASA-N 406.460 1.878 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)n(C)n1 1870008840 JKGUNLWWAVCBJF-HNNXBMFYSA-N 410.478 1.994 30 10 HDEE C[C@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CSc1nnnn1C 1870233198 YBCVWKDVQNJZTC-ZDUSSCGKSA-N 412.475 1.496 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625461 BIJDZTRBIHXGFA-UHFFFAOYSA-N 408.466 1.277 30 10 HDEE C=CCNC(=O)[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1)C(C)C 1873841115 MFVBHBORRKOZLK-WMZOPIPTSA-N 407.536 1.530 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 1882811284 WYQXPYWQYMDWLW-QGZVFWFLSA-N 417.443 1.638 30 10 HDEE Cc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1 1890106250 QOCHCVDWYGSWCS-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE CN1CCN(c2cc(Br)cnc2C#N)[C@H](CNC(=O)C(F)(F)F)C1 2054341341 NOWOHPBZVBPXKQ-SNVBAGLBSA-N 406.206 1.515 30 10 HDEE NC(=O)CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C#CCO)cc1Cl 2152222551 ROZKDZYMUQRMEV-UHFFFAOYSA-N 406.891 1.750 30 10 HDEE CO[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195327826 ODNHTUWWRQZDQX-QWHCGFSZSA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402123 CKACNRBEERMWLY-UHFFFAOYSA-N 410.280 1.285 30 10 HDEE C#CCSCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267473648 ITFCQOMLRHEHIY-UHFFFAOYSA-N 401.384 1.833 30 10 HDEE CCNCCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267705768 LTNOXZAJCRLMEV-UHFFFAOYSA-N 408.782 1.979 30 10 HDEE C#CC1CC(NC(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)(C(=O)O)C1 2281282532 ZTMUCSVMBHOFLL-UDZBPYJESA-N 414.458 1.785 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1NCC[C@H]1C 2282322808 QWTAHWZKXXNFGB-YPMHNXCESA-N 400.375 1.632 30 10 HDEE CCS[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282354276 OHSGKUWMARNENP-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CCC1(O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282410351 WEFSMADYIJHLSE-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282845290 PYRNORYBQKGZRM-RUZDIDTESA-N 405.322 1.172 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCCC[C@@H]2N)OC1(C)C 2282883659 DFHQCYNCKFKKRW-UONOGXRCSA-N 400.375 1.986 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284394162 VLLDWCSDCKFIIJ-LLVKDONJSA-N 403.331 1.697 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367785791 FQFWRYGHGMLJHF-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367788636 PKXXSDBYVIRCDQ-HDMKZQKVSA-N 400.541 1.617 30 10 HDEE CC(C)(C[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O)NC(=O)OC(C)(C)C 2367792100 LKKYMGAMLICYBB-ZDUSSCGKSA-N 403.497 1.730 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2367798915 VOHYXJALUCMUGD-KXBFYZLASA-N 400.541 1.571 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806631 LYWZXZYDQQDJJR-VCBZYWHSSA-N 400.541 1.292 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2367811310 HBOZPXOYTSQVEC-GJZGRUSLSA-N 400.541 1.306 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CCS(=O)(=O)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2379627947 OKSYHWPMRQUEEQ-FZKQIMNGSA-N 402.513 1.562 30 10 HDEE CN(C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)[C@H](CC#N)C(F)(F)F 2379884433 AQHMEEFZFILIFX-SNVBAGLBSA-N 413.418 1.323 30 10 HDEE C=CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 26471087 VSJGIHSXDOCEET-ZDUSSCGKSA-N 405.442 1.702 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)CC1 27903130 KYWYCHPQRNYUCA-KRWDZBQOSA-N 413.522 1.060 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)CC1 32826607 RHXLZJCAFBMWSS-MRXNPFEDSA-N 422.938 1.589 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(C#N)cc4)nc23)C1 65151873 XYRMJOPAYVECQO-GASCZTMLSA-N 405.462 1.884 30 10 HDEE C=CCOc1cccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCCC)c1 66064574 SLWZHNDGZGFYOQ-SFHVURJKSA-N 403.479 1.724 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCN(CC)CC)C2=O)cc1 96567168 SSXOIVQGNNWROG-QFIPXVFZSA-N 416.522 1.867 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCOc2ccc3c(c2)CCC(=O)N3)CC1 105919405 OAIFZOHSEPNGPO-UHFFFAOYSA-N 414.506 1.177 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N[C@H](CCCC#N)c2ccccc2)C1 431377212 PAOZCPRPAVVCLC-QZTJIDSGSA-N 407.540 1.992 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)CC1 463348145 FUYOBQRCCRCWEF-HXUWFJFHSA-N 409.465 1.814 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)ccc1F 500100156 DAYVZVFBDFDLMX-UHFFFAOYSA-N 422.526 1.700 30 10 HDEE COC(=O)c1ccc(OCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 520902230 UVPONAUGYDHVAF-UHFFFAOYSA-N 409.446 1.650 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 521797000 RMAYPCMJPQSWFC-UHFFFAOYSA-N 405.929 1.646 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(c3ccnc(N(C)C)n3)CC2)CC1 533530158 GHOUAXJSQAQSHR-WUZYXKQASA-N 413.570 1.984 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C)n(-c3cccc(F)c3)n2)CC1 538480719 NFHYXPNTXDEILR-UHFFFAOYSA-N 400.458 1.772 30 10 HDEE CS(=O)(=O)c1ccc(OCCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546876336 MGAUWQVLLBXGQF-UHFFFAOYSA-N 414.487 1.474 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1ccc(S(=O)(=O)CC)cc1 552508857 JOVZYGWRXFDWSO-UHFFFAOYSA-N 418.475 1.948 30 10 HDEE CN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1Cc2ccccc2C1 569028389 AVHUGTAHMKETET-OAQYLSRUSA-N 416.481 1.401 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1C#N 584007367 SSVIOPWOMFYVGQ-HNAYVOBHSA-N 415.490 1.968 30 10 HDEE CN(C)C(=O)COc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 604076737 OLIDCRBPNAJODL-UHFFFAOYSA-N 422.489 1.452 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccccc1C#N 609416877 WGQPATQOMBBAGX-UHFFFAOYSA-N 414.490 1.637 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)CC2)nc1 609557430 OQPPRYKIXSYSSX-SFHVURJKSA-N 410.522 1.966 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCCN2CCCS2(=O)=O)CC1 615061395 QAPDRUREHSSALN-UHFFFAOYSA-N 421.523 1.368 30 10 HDEE CCCN[C@H](CC#CCOC)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 698994984 BZFGRTXDNJRLCN-IAGOWNOFSA-N 402.557 1.819 30 10 HDEE C#CCN(CC(=O)N1CCCN(Cc2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 731213450 CANFWIFWGKBGEK-OAQYLSRUSA-N 417.575 1.152 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(CN2CCc3ccccc32)CC1 732465095 DZHHPXXXYCGVEL-DQRAZIAOSA-N 423.517 1.997 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)CCN1C1CC1 732650870 KFUORJMOVLXLTP-DOMZBBRYSA-N 401.398 1.286 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CCN1C1CC1 732664232 FWTRBYSPVUFKFQ-LPHOPBHVSA-N 406.490 1.614 30 10 HDEE N#C[C@@H]1CN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CCN1C1CC1 732672321 HMZMYGXDYCIOOP-CRAIPNDOSA-N 407.396 1.626 30 10 HDEE Cc1cc(Oc2ncccn2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732708113 MSQJRDWIHQQJQX-INIZCTEOSA-N 406.446 1.715 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cn1 734602131 YJBMPHZCUIVUGV-UHFFFAOYSA-N 406.442 1.389 30 10 HDEE CC(=NNS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2c(c1)NC(=O)CO2 744563007 HBKONFPUNFOSRN-UHFFFAOYSA-N 404.404 1.937 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 751936195 GHZHRZFQDMDZBG-UHFFFAOYSA-N 408.553 1.587 30 10 HDEE CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@@H](CNC(=O)OC(C)(C)C)C1 759062515 KBVLJNBFDGLFGF-HNNXBMFYSA-N 400.545 1.541 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccccc1C(=O)NC1CC1 764668175 XQEFRTYGLKOCNL-CYBMUJFWSA-N 412.471 1.756 30 10 HDEE CC(=NNC1CCS(=O)(=O)CC1)c1cc2c(cc1Br)NC(=O)CO2 767385312 HPZJCTQILPGRTH-UHFFFAOYSA-N 416.297 1.671 30 10 HDEE C=C(Br)CNC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 771247606 ADJVIVPSDCKWDX-QGZVFWFLSA-N 410.268 1.795 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1O[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 774240581 LIYSJYTYKBTWOC-ROUUACIJSA-N 406.504 1.495 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 776142542 GKAUTVWSENVVCN-KRWDZBQOSA-N 414.487 1.418 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)n1 788605485 LAUUYYNLOPMJQH-UHFFFAOYSA-N 419.507 1.413 30 10 HDEE CCOC(=O)[C@@H]1[C@H](NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 788642690 HHSAJHHGIQTNLZ-YIWKQCEPSA-N 422.482 1.044 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(I)c[nH]2)n1 790106211 XHWBXGBXQWLDPZ-UHFFFAOYSA-N 412.231 1.738 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@@H](COc2ccccc2)C1 790333074 IWXZNSJZLVJPKP-VRTBNJGNSA-N 400.435 1.002 30 10 HDEE COc1cnccc1N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 794708106 WIZYYDMXEOPAOK-UHFFFAOYSA-N 420.473 1.506 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(CN1CC(=O)N(Cc3ccccc3C#N)C1=O)C[C@@H](C)O2 797417422 RQRVDFSVQPXYMG-DRSNIGMVSA-N 412.490 1.938 30 10 HDEE N#Cc1cc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)ccn1 809125076 ZNXGLHHKDNLVKQ-UHFFFAOYSA-N 409.196 1.845 30 10 HDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812751298 QQWKTJOVOYCXJV-QGZVFWFLSA-N 405.407 1.893 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 856599946 UVNLKIFLRAFCBN-VQIMIIECSA-N 403.527 1.775 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(C=O)cc2Br)CC1 917158705 PMCGIZDMLLGZAL-UHFFFAOYSA-N 424.295 1.087 30 10 HDEE Cn1c(=O)c2cc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)sc2n(C)c1=O 1131370202 KIQLXFOOQKXLMN-UHFFFAOYSA-N 424.482 1.606 30 10 HDEE C=C(CO)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1135445212 NVYAJZBSMSAJBS-UHFFFAOYSA-N 423.716 1.484 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cc(C)ccn3)CC2)s1 1137296470 QXZLBALVROVPAU-UHFFFAOYSA-N 420.560 1.807 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccccc3N)CCO2)c1 1137994044 ICIMHVBKWGNEEY-KRWDZBQOSA-N 400.460 1.019 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CCOCC2)c1 1147808839 FMRTZGMBQUFNLD-SFHVURJKSA-N 412.471 1.410 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 1150000421 KWPNVXCMFCXHEH-CYBMUJFWSA-N 400.426 1.463 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCc2ccc(C(=O)NO)cc2)C1 1155853579 RSTRGEOSSLKMCG-UHFFFAOYSA-N 416.438 1.119 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1 1160053163 ZNJPPLUSNGYTLI-UHFFFAOYSA-N 408.483 1.713 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(CO)(CO)C2)cc1 1171944148 XJYNTSJGZBCMHQ-UHFFFAOYSA-N 412.490 1.590 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1175426577 IJOUEFPZIWHOHX-JONQDZQNSA-N 407.467 1.066 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190932704 XXGBDVWBRXEHBZ-CHWSQXEVSA-N 415.899 1.860 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C 1195029442 VFJCHEUADXYGLB-OAHLLOKOSA-N 408.296 1.488 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1197929300 GJODOBPIGUTFCQ-HNNXBMFYSA-N 407.492 1.593 30 10 HDEE Cn1ncc(Br)c1CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1254146094 HOFLMKHVZJKBNE-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1 1276781765 GSXLWCCJLVOXNI-DOTOQJQBSA-N 409.508 1.392 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286315116 UNYFBVJQRCKKQZ-OAQYLSRUSA-N 407.478 1.445 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286338000 BRDDNYUCPXJABW-SJORKVTESA-N 410.478 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCCC1 1286412442 AUJLGMKFGLGBBD-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C1CC1 1286425987 FZFDLOKNWNVYFJ-INIZCTEOSA-N 408.506 1.951 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)C)CC1 1286495568 ZXBOBYAEFNKMOZ-UHFFFAOYSA-N 418.567 1.185 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286705732 DOUFBHCRFNLRAZ-MRXNPFEDSA-N 404.515 1.199 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1286710780 CNEHYHVRRLELGG-MRXNPFEDSA-N 404.515 1.369 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286712246 UVSGLFSXRKCWIY-RCCFBDPRSA-N 423.583 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@H](C)C1 1286786424 RPKLKFFDXLARKK-ZBFHGGJFSA-N 410.478 1.319 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCOCC 1286786439 SAEPFGKUOJHCTB-UHFFFAOYSA-N 411.466 1.369 30 10 HDEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286834636 HJYMVLCLOJNCHJ-YZVOILCLSA-N 424.523 1.964 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C1CCN(C)CC1 1289195082 ALFKUVDUMOJJOB-RTWAWAEBSA-N 413.518 1.969 30 10 HDEE CCCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1292142280 PIDQLLDAWMRDGP-CABCVRRESA-N 421.498 1.237 30 10 HDEE COCCN(CC#N)C(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1298924715 OTTQOKYAEXJRCF-UHFFFAOYSA-N 417.443 1.828 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1300272464 MRSIWLPZOWUCHL-GDBMZVCRSA-N 407.544 1.250 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCOc1ccc(S(C)(=O)=O)cc1 1300307328 DYVARBXNZHEVGR-JKSUJKDBSA-N 418.519 1.722 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F 1300392929 OSHGQYGKXKTTIZ-GOSISDBHSA-N 405.451 1.753 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C[S@@](C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1300482422 FKLVKVAFZVAWEM-DNOBIOAJSA-N 420.560 1.140 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300701577 WODVUDDRLISBDN-AUSIDOKSSA-N 409.534 1.472 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(Cl)n1C 1300733567 XMEFZLCWEKLQPW-UHFFFAOYSA-N 409.947 1.806 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1301036110 AQXGJOWIEINDDO-GDBMZVCRSA-N 408.934 1.671 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@H]1CC 1301479426 ZSOVWVJDKBNKKI-LSDHHAIUSA-N 424.571 1.350 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2cc[nH]n2)C1 1301556283 GRRCZYPKTKVYEF-DOTOQJQBSA-N 415.498 1.454 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCCCO 1301964542 BMMZZHWTMXIVQL-OAHLLOKOSA-N 409.494 1.950 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1Cc2ccccc2O1 1302100214 XDPVNLKSIGLQEL-NXHRZFHOSA-N 413.478 1.735 30 10 HDEE CC(C)c1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302711677 HZXXVNFHFUINSE-FBMGVBCBSA-N 400.483 1.687 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2N2CCC(O)CC2)cc1 1302832435 LJKDIDAGYSXMOT-OALUTQOASA-N 407.536 1.259 30 10 HDEE COc1ncc(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1C#N 1303460050 HULCDHXLEHFNBE-UHFFFAOYSA-N 414.365 1.898 30 10 HDEE CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305590051 NORMFPYWKKANAE-AWEZNQCLSA-N 405.455 1.143 30 10 HDEE C#CC1(O)CN(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1312732971 HLSATHTWDVFHEZ-HNNXBMFYSA-N 405.520 1.005 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)n1 1312748597 JFHPXYKYYXJBJC-INIZCTEOSA-N 416.503 1.245 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H](NC(=O)NCC#CCO)c2ccccc2)c(C)c1 1313191475 QVKITGWCGZSHDB-IBGZPJMESA-N 415.515 1.618 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1358911829 DOVZBORUEIVIMG-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCS(=O)(=O)c1ccccc1 1358936903 BCHMRFUNSPDRMB-UHFFFAOYSA-N 415.519 1.448 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1358956798 KQVVLOADLWYJMU-PBHICJAKSA-N 404.540 1.509 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1csc([C@@H](C)OC)n1)[C@@H]1CCS(=O)(=O)C1 1358963756 NQBVIRCKZXOJED-UKRRQHHQSA-N 423.564 1.679 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc3cccnc23)n1CCNS(C)(=O)=O 1358989496 DYAKBKBXJJMXOU-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1359007181 YUYVUKMUKDFFDM-UHFFFAOYSA-N 410.503 1.788 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nccc(C(F)F)n1 1359022893 QBGHFIUNVJWPDE-UHFFFAOYSA-N 402.409 1.541 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(N(C)C)CCC2)CC1 1359028526 VOHPZMUJSBYCII-UHFFFAOYSA-N 415.586 1.436 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)C2CCCCC2)CC1 1359034411 POUIEKIODSVFDT-QFIPXVFZSA-N 409.538 1.822 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2CC)CC1 1359045760 SEJFLDKSMLTLTB-LJQANCHMSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1359049329 MTCWJDNIDMMLMU-QXKUPLGCSA-N 409.581 1.489 30 10 HDEE C=CCCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359204174 HCSSXGLGGSGPNU-LJQANCHMSA-N 422.533 1.681 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1359281822 KDIXPBBNJNQQAY-DNVCBOLYSA-N 424.523 1.320 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359299327 BTXPERNYGXCXEJ-QGZVFWFLSA-N 418.542 1.169 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cscn1 1359306369 DTESBFIFPUMFLN-BBRMVZONSA-N 406.512 1.397 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359307029 YJLUSSDAAQQCFZ-UONOGXRCSA-N 416.448 1.505 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCn2cc(CO)nn2)C1 1359317535 LAXZRVUSIYWJHN-LJQANCHMSA-N 409.494 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@H]1OCC[C@H]1COC 1359336446 QCTGYZHMULKNSG-ZFWWWQNUSA-N 410.500 1.080 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1437301591 MAFREULIDWFHJJ-KSSFIOAISA-N 401.529 1.482 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1438599834 CVNFIRQZZLQWEA-CQSZACIVSA-N 411.455 1.142 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2N)CC1 1449427535 SUQMXCPKHWXNQJ-UHFFFAOYSA-N 411.212 1.858 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1OC 1456062038 MGSJAFDANNPHBK-QGZVFWFLSA-N 423.473 1.803 30 10 HDEE Cc1cc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)nn1CCC#N 1458445492 CUMDMZRJGXWGNW-AWEZNQCLSA-N 404.471 1.512 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccc(OC)c(OC(F)F)c2)CC1 1464844550 DULPWMAHTDZRMS-UHFFFAOYSA-N 409.433 1.123 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)n1 1466384185 UXHDIJLOIRZVHA-HOCLYGCPSA-N 409.837 1.766 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)c1Br 1467382226 DKKWBCLUYILIIO-YPMHNXCESA-N 400.298 1.768 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 1467503757 LISNDBDTMSVUQZ-DYVFJYSZSA-N 410.467 1.420 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 1470350046 AJJBFEODXZJFDX-UHFFFAOYSA-N 402.524 1.580 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 1471522134 SIMJSSNPTSZIEH-QHCPKHFHSA-N 419.481 1.984 30 10 HDEE C[C@H]1CN(c2cccc(CN(C)[C@@H](C)C(=O)NC3(C#N)CCC3)c2)S(=O)(=O)C1 1473430156 VTSSFKHNCUISQZ-HOTGVXAUSA-N 404.536 1.855 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1475560223 GTOSEJYMUPWVLC-WKILWMFISA-N 418.560 1.766 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)CC1 1477058759 CEMYJCOLAGGHKH-AWEZNQCLSA-N 416.469 1.706 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(Cc2ncc(C(=O)OC)s2)CC1 1478285519 ZEPOAHFFNNMJPH-UHFFFAOYSA-N 415.537 1.495 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1479248341 VKTWDZJEPMLGIM-SFHVURJKSA-N 410.559 1.783 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1 1503822064 GUDTUPRMLNMLAU-UHFFFAOYSA-N 406.450 1.623 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CC(=O)NCc2ccco2)cc1 1505319767 KBXNDWZQCLAALS-UHFFFAOYSA-N 422.445 1.475 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ncc(C)s1 1507515793 IODBMJIEEWBBQL-DYEKYZERSA-N 410.569 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1507531492 ASAOMINEABLMBZ-ZIAGYGMSSA-N 419.507 1.289 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)OC)c1 1507551242 VVCLNMCCVUCQTN-PBHICJAKSA-N 410.478 1.320 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507630229 VGZXIYPESVPAFE-MRXNPFEDSA-N 417.535 1.639 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(F)(F)F 1507648272 MPSOJOBHZPKZAR-UHFFFAOYSA-N 410.425 1.873 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@](C)(O)c1cc(C)oc1C 1507711088 NOGXGRSRPZKLPJ-LAUBAEHRSA-N 402.495 1.986 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(F)cc(F)c2)CC1 1507724351 CMLWHOXLNBEHFE-UHFFFAOYSA-N 411.460 1.955 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1507752992 BLAVLHLOLQWVEJ-SJORKVTESA-N 407.540 1.227 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Cn2cncn2)CC1 1508141630 WCVTVHGJOZXFQY-UHFFFAOYSA-N 405.528 1.264 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1509937175 AAUOMWFRVCCTCV-INIZCTEOSA-N 419.493 1.881 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ncccc2N(C)C)cs1 1511544601 AROVAARENVAEEV-INIZCTEOSA-N 424.534 1.872 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1519399481 UKXGKZPMCLNJTB-SFHVURJKSA-N 401.467 1.331 30 10 HDEE N#CC1(NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCSCC1 1526033169 XMNYLVZZWNECDJ-KRWDZBQOSA-N 416.547 1.665 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2OC)C1 1539175471 YORHCTXOCFQLNU-DLBZAZTESA-N 408.506 1.834 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539230176 CFRKDJVECAVPFN-ZWKOTPCHSA-N 415.519 1.508 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1 1539266602 QZOOBILYNTXAKT-GOSISDBHSA-N 412.515 1.640 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)[C@@H](C)CC 1539416870 UGIGULCPIBEJQA-FCEWJHQRSA-N 412.556 1.063 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2nccs2)CC1 1539427669 GQFFHFQEACZQJN-UHFFFAOYSA-N 422.518 1.380 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1539498309 RWSYDACJBMDASD-KGLIPLIRSA-N 415.585 1.116 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(CC)c1 1540867205 OEKCEOIGICDLGQ-UHFFFAOYSA-N 404.478 1.972 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)NC(C)C 1540867615 BIISUABCKNHFHY-UHFFFAOYSA-N 400.483 1.217 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1540882818 OPKAZDGZCNBDJS-GOSISDBHSA-N 404.559 1.521 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@H]2C1 1540920568 ZCIAPINPSWSDDA-KRWDZBQOSA-N 415.567 1.870 30 10 HDEE Cc1cc(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)ncc1C#N 1543706451 SNBNISGDSMCRLR-UHFFFAOYSA-N 402.451 1.984 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1545060726 ORLURBOQDMLFBQ-BFYDXBDKSA-N 410.478 1.621 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1545088975 AKOVRAJUQMPAMN-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE CC[C@@H](C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545600015 BFXDEAGZQWZINE-QFPXGYFVSA-N 414.510 1.935 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(C(=O)CNc3ccc(C#N)cn3)CC2)c1 1545787167 HSHRBZOMUCAESV-UHFFFAOYSA-N 407.474 1.732 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@@H](C)CC#N 1548318178 CVFONXDWIXIMHN-YOEHRIQHSA-N 419.507 1.964 30 10 HDEE CN(CCOCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1554314520 HICQCQPUTFGIAX-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)ccc21 1557384637 UTSILKZHHWRDJH-NRFANRHFSA-N 420.469 1.389 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)CCCC(=O)Nc1ccccc1C#N 1557570897 OCEJTDWRLXFCMN-UHFFFAOYSA-N 400.357 1.736 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1 1558263991 UWLIGCMCJNQKJH-AWEZNQCLSA-N 403.426 1.355 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2nc(SCCO)n[nH]2)C1 1558947845 DVBQGKQWVRLNLO-UHFFFAOYSA-N 423.296 1.598 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(CCC(=O)N(C)CCC#N)C2 1560142221 NOBWTXAIBSFYQF-VWKPWSFCSA-N 422.526 1.527 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)CC1 1560179714 QGUHFPOQGMBIIC-GCJKJVERSA-N 404.555 1.533 30 10 HDEE COC[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(N)=O 1566478951 XBNJCROEKCLYHV-HZPDHXFCSA-N 402.451 1.009 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1583742947 CQFGUMLRBSODFE-UHFFFAOYSA-N 412.490 1.666 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=C)Cl)C(=O)OCC)cc1 1587285199 AVXMIMAVAYAACW-HNNXBMFYSA-N 400.884 1.955 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1588637813 KSWOHEIJKZILLT-HNNXBMFYSA-N 418.885 1.443 30 10 HDEE CC(C)[C@@](C)(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1598219434 BLCOXPKBAFFNEA-APWZRJJASA-N 409.556 1.717 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)CCOC1 1610337062 PJCCXADKOBAUPT-WAOWUJCRSA-N 420.558 1.778 30 10 HDEE C[C@@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1612693814 BMPWZZZHNAXHPK-NVXWUHKLSA-N 410.478 1.480 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)C(=O)OCC)CC2)CN(C(=O)OC(C)(C)C)C1 1618411844 YDBLRMXOXPUZDZ-UHFFFAOYSA-N 409.483 1.034 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](C)Oc1cccc(Cl)c1)c1cc[nH]n1 1618577306 IJJLYSGRGAJKEO-GFCCVEGCSA-N 408.842 1.931 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cnccc1OC 1619990727 YIELCBTWIHZVBK-IFXJQAMLSA-N 404.446 1.896 30 10 HDEE COC(=O)CCN(CC(=O)OC(C)(C)C)[C@H]1CCN(c2ccc(C#N)cc2)C1=O 1620532375 IWWWHWGQFPYMGU-KRWDZBQOSA-N 401.463 1.870 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)CC1 1623185881 QSWSKCBTGLLECZ-UHFFFAOYSA-N 407.492 1.486 30 10 HDEE C=C[C@@H](O)C(=O)NCCN1C(=O)S/C(=C\c2cc(OC)c(OC)c(OC)c2)C1=O 1624997546 WBMFCDOGHDIIIL-DYTQJMLRSA-N 422.459 1.412 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1cc(F)ccc1F)c1cc[nH]n1 1626536828 HDFVAPJGWKDARO-OAHLLOKOSA-N 424.360 1.002 30 10 HDEE CC[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)NC(=O)OC(C)(C)C 1628037563 TVCWZGLZTGVCDV-HNNXBMFYSA-N 424.523 1.830 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cn2)C[C@@H](C)O1 1629142991 OZOCXDQRAVGAQD-ZMAHGOAUSA-N 414.437 1.879 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@@](C)=O)CC1 1629670246 UJGNWGUYAGCXJH-RKOGDMNLSA-N 401.573 1.759 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](n2cccn2)C(F)(F)F)s1 1630370446 GAAMNUVJKBGHGN-LBPRGKRZSA-N 422.454 1.871 30 10 HDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1630458856 UPQYCEGDEZKYBL-HHHXNRCGSA-N 422.484 1.385 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)C2)c1 1630761736 BKGIHMQVSYOEDY-UHFFFAOYSA-N 405.389 1.682 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1637389018 ARDPIVUQMFCBAP-CVEARBPZSA-N 410.515 1.087 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)cc2C1=O 1637642186 JBTICAKNJHHVII-UHFFFAOYSA-N 403.435 1.997 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)Cc2ccccc2F)cc1S(=O)(=O)NCC#N 1638417987 MEYRIEMBETUGRG-INIZCTEOSA-N 405.451 1.269 30 10 HDEE Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n(C)c1=O 1639782857 ONYWQRMNSDNDNL-KNVOCYPGSA-N 407.261 1.967 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1639988971 BMRJOAXCRVGJQM-NSPYISDASA-N 401.492 1.587 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@]3(COC)C(=O)OC)ccc2c1=O 1640419383 DPFNEFLAJZGOSN-FQEVSTJZSA-N 417.487 1.665 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 1640645208 CNKQWSNFUUCSHO-HFTRVMKXSA-N 422.503 1.075 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOc2ccc(OC)cc2C1)c1cc[nH]n1 1641208853 HBOKFLQFIIKZPU-UHFFFAOYSA-N 402.407 1.123 30 10 HDEE C=C(Cl)C[C@@H](Nc1ccc(S(C)(=O)=O)cc1S(C)(=O)=O)C(=O)OCC 1643051595 DBQTZIBIQDINLG-CYBMUJFWSA-N 409.913 1.980 30 10 HDEE CCCCN(C(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O)[C@@H]1CCS(=O)(=O)C1 1644183496 HPBOREOUAVAFKA-CYBMUJFWSA-N 419.425 1.555 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1646016452 FTWQQMPJLBONJN-SFHVURJKSA-N 410.449 1.809 30 10 HDEE COC(=O)c1ccc2c(c1)OCCN(CCS(=O)(=O)c1ccc(C#N)cn1)C2 1648585483 QFRMHKRZWIQPPY-UHFFFAOYSA-N 401.444 1.408 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1649538055 LTYCIWWJVLUWTC-HNAYVOBHSA-N 410.540 1.213 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(CN3CCNC3=O)CC2)c1 1652915912 CQEKCUOJWLLMAL-UHFFFAOYSA-N 403.504 1.361 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1663135624 HUAKQSOAXTVGIW-MSOLQXFVSA-N 412.508 1.128 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)C3)n1 1668984529 YZUYAUNSRPGRFX-UHFFFAOYSA-N 416.503 1.216 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1672282333 OUCNMIGPYWNWTE-RKVPGOIHSA-N 422.526 1.487 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@]1(O)CCS(=O)(=O)C1 1672708424 LUIXLQUKYORILQ-OAHLLOKOSA-N 419.297 1.685 30 10 HDEE CCc1nc(CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)n[nH]1 1673055987 APWYPKLHDYCMMU-UHFFFAOYSA-N 405.466 1.661 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1 1676030938 MLKDYCMKMCXSEJ-GOSISDBHSA-N 422.526 1.329 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC4(CCC4)S(=O)(=O)CC3)CC2)nc1 1678168386 DSYZOOGCINPDFR-UHFFFAOYSA-N 417.535 1.675 30 10 HDEE C=CCCC(C)(C)NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1678393892 DHLCVZVQLGAKNS-UHFFFAOYSA-N 410.320 1.955 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)n1 1679703330 OSOLUOYZVFQAKM-SFHVURJKSA-N 419.526 1.978 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 1680025098 UBBMCZSNMSEILM-PXNSSMCTSA-N 400.504 1.971 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1)C1CCOCC1 1684035614 KIJBCNSGFOWWDM-LJQANCHMSA-N 413.522 1.631 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)c(O)nc1=O 1685217424 PUMHSIZZRXTBCN-GOSISDBHSA-N 424.505 1.623 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 1685830399 VLAFUAYDVZJDKA-AWEZNQCLSA-N 422.327 1.769 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)CC 1689835171 HMQDDXKPRRPLHO-RMKBEBRYSA-N 408.549 1.575 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC1CC1 1689946371 QEPDFBJXPTVCEH-HNNXBMFYSA-N 417.535 1.795 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1cnn(C)n1)[C@@H]1CCS(=O)(=O)C1 1689979840 IDTYRDFVRSDKIK-DOTOQJQBSA-N 419.555 1.180 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690120453 VQNORYIMSIEZOP-MOPGFXCFSA-N 408.554 1.611 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCNC(=O)C2CCC2)CC1 1690134850 IIMSERLXYXSROO-GOSISDBHSA-N 400.527 1.191 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690510905 JEMRSUWUNAYFJE-OAQYLSRUSA-N 413.526 1.449 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690665527 HAQYMQZVWCITHZ-JKSUJKDBSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690671372 UREFHANYSURMQA-ROUUACIJSA-N 420.558 1.369 30 10 HDEE CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1695495100 BLGDIZFFIHJIOU-HUUCEWRRSA-N 416.457 1.764 30 10 HDEE CN(C)[C@]1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1696605375 MEBAOAXDIJOLEB-FCEWJHQRSA-N 406.556 1.338 30 10 HDEE CN(C)c1ccc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1696607875 JRBCVNQDNBPHON-UTKZUKDTSA-N 411.485 1.980 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)c1ccccc1 1705551296 KWWMMKXSYVIZQP-SJORKVTESA-N 401.536 1.775 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1705569305 BDYPJKMYNSXUMH-KRWDZBQOSA-N 418.494 1.160 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2OCCC2(C)C)CC1 1705642200 KJERYCXCIJDOSZ-IBGZPJMESA-N 411.554 1.710 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1705665068 JHMYAHQMIGXLOC-OXQOHEQNSA-N 422.551 1.686 30 10 HDEE C#CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705665111 KCBLDNKXTQYZHX-HXUWFJFHSA-N 421.567 1.355 30 10 HDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705689922 DMRUYAURWHDEBQ-UHFFFAOYSA-N 423.359 1.540 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)C1 1705914561 OUYHDZUELHRWDF-ROUUACIJSA-N 404.559 1.930 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1709185794 DYQRUKMGAWRWHK-IAGOWNOFSA-N 421.505 1.446 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1711410638 SAYCEORKPMDZFA-MRXNPFEDSA-N 409.494 1.705 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1722340696 FWBRKQGVHDETMP-SFTDATJTSA-N 417.510 1.763 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1snnc1C 1722349974 HXUAHMLNDIHJCA-UHFFFAOYSA-N 420.502 1.953 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccc(Cl)c1 1722353596 XZXZDBDBZQCAQT-LIRRHRJNSA-N 422.938 1.811 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722369921 IRHBYJSLCRLHIU-KRWDZBQOSA-N 418.519 1.390 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)[C@H](C)CC 1722396515 JFIJIAIOLPSQJM-QZTJIDSGSA-N 405.568 1.373 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1722408550 KRLWMFRKSJWEGM-SFHVURJKSA-N 408.911 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCOC)CC1 1722442118 YFTDGZIWBJCVSQ-CALCHBBNSA-N 418.542 1.450 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCn2ccnc2C)CC1 1722574779 RSXUHECQJNAJHZ-HNNXBMFYSA-N 421.571 1.886 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1[C@]1(OCC)CCOC1 1722690179 AQFRORPUQCTWEY-NRFANRHFSA-N 420.558 1.107 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)C1 1722711797 WSEPVSATTIGNNY-GDBMZVCRSA-N 423.539 1.928 30 10 HDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1726494194 AGYMTJODARBREF-HUUCEWRRSA-N 402.524 1.991 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)c1occc1C 1727607805 DXQKEAXFYNFFKO-QGZVFWFLSA-N 411.510 1.739 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740615695 JDZDGYOKMSBXGQ-MRXNPFEDSA-N 407.540 1.187 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC=CCO1 1740636723 AHEILVAMCFLASM-QGZVFWFLSA-N 424.530 1.656 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCC(C)CC1 1740640823 XHYSJOHVKLZGTJ-LJQANCHMSA-N 417.579 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1ncccc1F 1740657870 ACSHWYDQFGZUDB-UHFFFAOYSA-N 410.453 1.477 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC 1740673783 HBEBVFACMSTGIA-UHFFFAOYSA-N 409.537 1.164 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740690144 NOORWRJJRHNAPB-LJQANCHMSA-N 402.587 1.688 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(O)(CCC)CCC)CC1 1740694379 IFAGDJMVCOCDNV-QGZVFWFLSA-N 402.543 1.316 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740864623 OSGUQBYXSTZOPH-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](C)O[C@H](C)C1 1740953677 NRIISGGOZGPMCL-VXGBXAGGSA-N 423.315 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740991511 YAJHZQQBYYZPJN-LJQANCHMSA-N 423.539 1.567 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748755303 JIBAGIWCRADWAP-UHFFFAOYSA-N 422.580 1.519 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(F)(F)F)n1 1748770631 CTCGGZZXIRQDEH-LLVKDONJSA-N 416.429 1.420 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCC[C@H]1CO 1748785293 QRNZBXFFJXVECP-INIZCTEOSA-N 414.510 1.312 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1748812004 OFEOUGKTURMNMT-FXAWDEMLSA-N 417.535 1.518 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1748963183 ZYPCMQUGWNKJCX-QGZVFWFLSA-N 413.526 1.429 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1749023315 RAVFABXXGFYBCG-HSBZDZAISA-N 403.549 1.439 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC[C@H](CO)O1 1749055982 SFZYMOPFQTYGBG-XWDORNJCSA-N 404.511 1.462 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1749488865 NYFTYINOOFATBF-KRWDZBQOSA-N 405.524 1.590 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749738144 HBKFEHOQIBBVQO-UHFFFAOYSA-N 421.567 1.326 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](n4cncn4)C3)n2CCOCCCO)cc1 1750382690 JFZFNSQZXRUPGD-LJQANCHMSA-N 422.493 1.649 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760156500 IOJSCJHLNAQLPX-UHFFFAOYSA-N 400.552 1.554 30 10 HDEE C#CCCCn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1760159908 SHBBKMASZLGNDG-XLIONFOSSA-N 424.567 1.747 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC[C@@H]1CCCO1 1760168052 MNFUGXZBMGRMNF-IBGZPJMESA-N 422.493 1.576 30 10 HDEE C#CCN(c1nnc(C)n1CCC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1760180338 CJNOGJRXKYXRLU-KRWDZBQOSA-N 407.540 1.052 30 10 HDEE C#CCN(c1nnc(C)n1CCCCCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760181379 UGLRQCDFIPEOEU-LJQANCHMSA-N 407.584 1.869 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1760189655 KNATYNFGUKHYDB-GOSISDBHSA-N 401.536 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCNS(=O)(=O)Cc1ccon1 1760199928 NCXVMVGNGSYGBS-UHFFFAOYSA-N 424.486 1.126 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C 1760209870 IVRORKWLQHRQAM-HNNXBMFYSA-N 418.523 1.199 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1760219821 PFOJBUVEASFPIL-MSOLQXFVSA-N 424.526 1.819 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1-n1cccn1 1760242636 KGAFZBMXHUGHMF-UHFFFAOYSA-N 422.493 1.131 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1760248876 RYVVOQNSZCTFIH-NPPFBWRTSA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H](C)C1 1760250488 ZXAPNSRQZUTNEE-YESZJQIVSA-N 410.540 1.081 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1760259445 BKUMSQNQYDCLFA-OTWHNJEPSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCC(=O)NCc2ccccc2)CC1 1760262873 FQFCKPOQEHWQNK-UHFFFAOYSA-N 406.534 1.692 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1760281445 SHBXSVYYZGPZBC-HZPDHXFCSA-N 418.567 1.337 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)[C@H](OC)C1 1760312836 FKYKYUOZWMSXPF-MWDXBVQZSA-N 407.515 1.248 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760354780 MVLYWFJYQURGEZ-NVXWUHKLSA-N 403.483 1.237 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760358850 ZQJRFHXFQZKQOH-UHFFFAOYSA-N 418.586 1.814 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1)C1CC1 1760469095 UJBHCUQLRXZSHK-UHFFFAOYSA-N 402.543 1.780 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1760482610 ZVFJCHSPTFLFMX-MRXNPFEDSA-N 419.551 1.996 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1760503222 CRYSCYXZSWCYFN-QGZVFWFLSA-N 407.515 1.060 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1760552097 BQOJRQQYIBOZTE-SJORKVTESA-N 420.583 1.803 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1 1760564345 WTCFLOATSDTZLP-UHFFFAOYSA-N 404.496 1.203 30 10 HDEE COc1ncccc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1769018003 CPFOCHRXCFLSSX-NRFANRHFSA-N 409.494 1.982 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCOC2CCCCCC2)CCO1 1770746406 DKLIJSCSAOIPDX-GOSISDBHSA-N 416.526 1.982 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@H]2CCCO2)CCO1 1770751778 NAUCVXQJVIIOTE-MOPGFXCFSA-N 412.494 1.578 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)F)CC2)o1 1771533400 KDPLFBLRSVOVDJ-CQSZACIVSA-N 405.409 1.129 30 10 HDEE C#CCCN1CCN(C(=O)Cc2nnc3cc(-c4nc(C(C)C)no4)ccn23)CC1 1848516104 ACCITTJZUBOFHK-UHFFFAOYSA-N 407.478 1.613 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848894419 SFAAINGVAVUKRJ-WOJBJXKFSA-N 403.438 1.656 30 10 HDEE COc1ccc(OC)c(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1852445404 PXEBAWYYDCTSQC-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)cc1 1853081450 SDQOQXVEAVXGBS-UHFFFAOYSA-N 403.483 1.365 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccnc3O[C@@H]3CCOC3)C2)CC1 1853680407 GOODCEYRTNFNFK-QZTJIDSGSA-N 412.490 1.864 30 10 HDEE CN1C[C@H](CN2CCC([C@@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)CC1=O 1853848955 KOZZKABMJLKNQI-YLJYHZDGSA-N 408.502 1.737 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OCC(C)C)nc2)C1=O 1854209279 GKMNPUBJYZFTFU-QZTJIDSGSA-N 414.506 1.576 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1=O 1854231149 VWJDMMVAWHLFLC-QGZVFWFLSA-N 409.483 1.743 30 10 HDEE C[C@@H](Oc1ccccc1F)C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855802168 BZPFMNDOFZAINL-CYBMUJFWSA-N 417.418 1.826 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2=O)CC1 1856548294 LBIHMEMMMPMHSM-LJQANCHMSA-N 407.474 1.540 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)C1 1857164591 NCPCEVQBRCOZKP-OAHLLOKOSA-N 402.520 1.483 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1857273172 OQOJDEYIQFGVMZ-GOSISDBHSA-N 403.504 1.604 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1857360181 IHISSBABDKBXCA-SFHVURJKSA-N 403.504 1.127 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1858298787 ZEDMPZXCWJRPOH-INIZCTEOSA-N 413.455 1.522 30 10 HDEE O=CC1CCN(C(=O)[C@H](CCOc2ccccc2)NCCCN2CCOCC2)CC1 1860607664 BHBVLDGNVWUBDY-QFIPXVFZSA-N 417.550 1.574 30 10 HDEE N#Cc1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c([N+](=O)[O-])c1 1866024244 SHLNQINCXADAAU-UHFFFAOYSA-N 409.314 1.999 30 10 HDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCOC(C)C 1869933863 QEWSNJQONLATAY-HNNXBMFYSA-N 413.565 1.778 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N2CCOCC2)cn1CCCOC 1870585421 JQEHWSAIXFLCCL-UHFFFAOYSA-N 419.522 1.296 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CNc2ccc(OC)c([N+](=O)[O-])c2)cc1=O 1871007533 HMRBOILDBWJOAH-UHFFFAOYSA-N 400.435 1.951 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ncccn3)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875229142 QJSIKJMXWJDLFS-OAHLLOKOSA-N 422.493 1.162 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1889550136 UQPUXAYWVSOFFO-UHFFFAOYSA-N 424.567 1.102 30 10 HDEE Cc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1[N+](=O)[O-] 1890106181 PDVCEOFSFDFONB-UHFFFAOYSA-N 414.506 1.775 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 1901465394 QKOBKJXEGMUAHY-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE COC1(CCNS(=O)(=O)CC2(C#N)CC2)CN(C(=O)OCc2ccccc2)C1 2054402577 GANBIFDUMLAHSG-UHFFFAOYSA-N 407.492 1.637 30 10 HDEE CC(C)(C#CC(=O)O)NS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2082719300 CJCPTDCUVBQCLH-UHFFFAOYSA-N 406.460 1.239 30 10 HDEE C=C1C(=O)O[C@H]2C[C@@H](C)[C@@]3(O)C[C@H](OC(C)=O)[C@@](C)(C[C@H](OC(=O)C(C)C)[C@H]12)O3 2085138148 MFYNTWZAYXDJQB-QCKIUZMHSA-N 410.463 1.881 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](Nc2cc(C#N)sc2[N+](=O)[O-])[C@H](S(C)(=O)=O)C1 2192680105 WTXQWXIMBGCPDR-VXGBXAGGSA-N 416.481 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C2(CN=c3[nH]c(Cl)c(C#N)s3)COC2)CC1 2194710833 SGFJZIZSEBZIQW-UHFFFAOYSA-N 413.931 1.824 30 10 HDEE CN1CCN([C@@](C)(CN)C(F)(F)C(F)(F)F)[C@H](CNC(=O)C(F)(F)F)C1 2195021297 DWEUYNWYEWODJB-SCZZXKLOSA-N 400.314 1.196 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C[C@H](O)C1 2217452705 BLSWQFHRSBEFJI-HNNXBMFYSA-N 419.331 1.799 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2235430284 VARQNJWHRXATMS-LSDHHAIUSA-N 401.359 1.291 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243677177 SEUQJDRUVSBUGV-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)NC12COC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2243686123 IBGZZUCYUYMMMT-UHFFFAOYSA-N 406.288 1.564 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247822390 DPNLEYGVWOJQAW-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC4(CN(Cc5ccccc5)C4)C3)[nH]n2)OC1(C)C 2247843973 UIAMITAMCQKXJQ-UHFFFAOYSA-N 408.311 1.667 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859438 VPSZNGAWTGQPSL-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN1C(=O)OC(C)(C)C 2247916974 HRNSVBDVFQNRIQ-STQMWFEESA-N 420.319 1.837 30 10 HDEE C#CC1(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258134544 NSNKYFPFXBRYSN-INIZCTEOSA-N 408.476 1.177 30 10 HDEE CNC[C@H](C)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267702195 CCGOUGWXFXIJPL-JTQLQIEISA-N 408.782 1.835 30 10 HDEE COC(=O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267706603 BLECHBYUVAVPRF-UHFFFAOYSA-N 409.722 1.494 30 10 HDEE CC1(C)OB(c2ccc(NS(=O)(=O)C3CC4(C3)OCCO4)c(F)c2)OC1(C)C 2277894370 QSZYQBNFUXWYKH-UHFFFAOYSA-N 413.276 1.772 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)S(C)(=O)=O)c1C 2282009051 MKJUEPOXQDYXPO-SNVBAGLBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCNC[C@@]3(C)CO)sc2Cl)OC1(C)C 2282058871 ARTMUBPRQXJRBU-KRWDZBQOSA-N 400.737 1.497 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(C)(C)N(C)C 2282315584 PWYHAGKPPOUOOD-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CN[C@@H](C)C1 2282322405 LRPKXLGPUNBYFD-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE CN1CCCC[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331371 MNLAURKHBSNFBH-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@@H]3CCO)c2)OC1(C)C 2282340349 DTOGQRATDSKENL-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CC[C@H](N)C3)c2)OC1(C)C 2282345178 YLBFYZVLVIHJRC-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCCC[C@H](N)C2)OC1(C)C 2282489218 DCMBNVJMXGPZGY-ZDUSSCGKSA-N 400.375 1.939 30 10 HDEE C[C@H](O)C1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282512165 RGIFGQOJXMETBG-NSHDSACASA-N 401.721 1.641 30 10 HDEE COCC[S@](=O)CCNC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282600653 ZUXMPNPDWNTDDX-AREMUKBSSA-N 401.359 1.481 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1C1OCCO1 2282602526 UEGHKRMGRRSUTK-HNNXBMFYSA-N 405.304 1.570 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCS1(=O)=O 2282603549 IEOQASBZGYXVJG-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE CC1(C)[C@H](O)[C@@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616293 ZKFUJIVCQYYSDL-CMPLNLGQSA-N 401.721 1.657 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282853432 CSTCXCAIFZOCLU-STQMWFEESA-N 401.359 1.686 30 10 HDEE C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282854643 UPMUNEXXNWATRV-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1C 2282860998 JEUFEIAKRWYRCY-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)C1O 2282864956 NJBGKFYTYCVPDN-VXGBXAGGSA-N 401.359 1.685 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282866554 LNBWOWRRJQICGC-QWHCGFSZSA-N 400.375 1.822 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H](CN)C3CC3)ccc2Cl)OC1(C)C 2282871050 AUXWCLHRFFAHCK-OAHLLOKOSA-N 400.737 1.655 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)S(C)(=O)=O 2282879270 RCOBRXVOWWSNHJ-WDEREUQCSA-N 423.387 1.147 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(CC(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284395209 IYLAXHJMZZFIKD-UHFFFAOYSA-N 401.315 1.451 30 10 HDEE CCC[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401863 FCGSQZRVMXVFOA-LLVKDONJSA-N 403.331 1.827 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)C(=O)O 2284410323 SNRYZLFHBCKKBN-GHMZBOCLSA-N 403.331 1.576 30 10 HDEE C[C@@H](ONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284410368 TZEOYNMRUKVJSR-SECBINFHSA-N 405.665 1.322 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336232366 PLCOXDRTJOEKLO-LSDHHAIUSA-N 402.582 1.801 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2cc(I)sn2)CCC1 2342082664 UCRRLIQORXVQPA-QMMMGPOBSA-N 411.290 1.223 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2363924395 KYOYKFYNQHBJBC-ZBFHGGJFSA-N 413.565 1.583 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2365202858 QCYBVBGVEXKZTC-CABCVRRESA-N 400.541 1.570 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CC)CNC(=O)OC(C)(C)C 2365213727 YFWZZBOCFSQIAI-DNVCBOLYSA-N 404.573 1.847 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 2367809848 QZUWEYWHIVJOKS-BZUAXINKSA-N 400.541 1.306 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1 29898957 LSTOGIQRCQJRPB-AWEZNQCLSA-N 403.508 1.960 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3ccccc3C#N)CC2)cc1 56966392 SJOVCJZVLSWMRT-UHFFFAOYSA-N 407.474 1.444 30 10 HDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3OC)n[nH]2)cn1 59311955 KHRJKWBROIVPAP-DNTJNYDQSA-N 414.495 1.884 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C#N)c2)cn1C 64818965 JXMXAIIBVPODKX-MRXNPFEDSA-N 416.459 1.475 30 10 HDEE C#CCN(CC(=O)N[C@@H](c1ccccc1)c1nccs1)[C@@H]1CCS(=O)(=O)C1 111192820 YDYHSYNLXIVHJD-AEFFLSMTSA-N 403.529 1.471 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)OCCC(C)C)[nH]1 253570822 ODCHLKXPVRBSMK-GIJQJNRQSA-N 409.516 1.738 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)o3)CC2)c1 428006396 OMKHVIAVSORXGG-UHFFFAOYSA-N 405.432 1.315 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N 428075430 KCUKZDORICDSKG-MNOVXSKESA-N 404.492 1.739 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)c(F)c1 462679656 PRHZCDNVAHCJQA-UHFFFAOYSA-N 412.393 1.686 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)CC1 463007065 DGAHBWWVSAWGPQ-ZWKOTPCHSA-N 418.519 1.532 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 465183871 LZGIETPWQOWXTJ-DOTOQJQBSA-N 405.462 1.374 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 465470041 GWPZOOPMUHXOGS-HXUWFJFHSA-N 407.474 1.491 30 10 HDEE N#CCCCOc1cccnc1NC(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 466615756 ABWXXCCJPCZZST-UHFFFAOYSA-N 407.496 1.842 30 10 HDEE C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(c2nccn(C)c2=O)CC1 467167092 AHGDGTISGSXXIM-CYBMUJFWSA-N 400.870 1.455 30 10 HDEE CCOC(=O)CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 467189888 CINNYKPTGUGMPC-HXUWFJFHSA-N 416.497 1.952 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1C[C@H]1CCCO1 471189442 XZOKVIOPRGGOCS-MRXNPFEDSA-N 413.499 1.049 30 10 HDEE Cc1c(Br)cc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1[N+](=O)[O-] 471942191 MPNQBGZKOOWFAF-ZDUSSCGKSA-N 404.242 1.969 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 477040888 COZNMRKZXMDOGH-UHFFFAOYSA-N 400.460 1.006 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@@H](CC)CO)CC2)c(C#N)cn1CCOC 481403209 OIEJHYACNKUELZ-INIZCTEOSA-N 421.498 1.103 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 503643114 MSXLNVWMBSDKOH-SFHVURJKSA-N 412.490 1.279 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 532980578 QIQMGPHBEJAYEV-UHFFFAOYSA-N 401.479 1.696 30 10 HDEE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)[C@@H]2C1 534394844 HPWUNCRLHAKMCP-BRWVUGGUSA-N 407.492 1.205 30 10 HDEE C=CCc1cc(CNS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc(OC)c1OC 540334259 ARNOJQAWLKZJRG-UHFFFAOYSA-N 421.519 1.951 30 10 HDEE COc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1N1CCNC1=O 546875567 DNRWYOPSCOPJBB-UHFFFAOYSA-N 406.446 1.454 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1c(F)cc([N+](=O)[O-])cc1F 565503347 RQGYSVITCXRMJB-LLVKDONJSA-N 402.361 1.814 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc(Cn3cccnc3=O)c2)c1 565649110 ABMJPTFFDOKTOV-UHFFFAOYSA-N 423.454 1.080 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 609865720 BSFKSKBNWVLMQQ-HNNXBMFYSA-N 421.519 1.415 30 10 HDEE N#Cc1cc(Cl)c(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(Cl)c1 611092979 XGFHAFDSLZHODU-UHFFFAOYSA-N 411.289 1.482 30 10 HDEE CN(c1ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1)S(C)(=O)=O 611541099 PQLHHIBTFXKKMP-LJQANCHMSA-N 409.508 1.960 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCO3)c(=O)n1C 614939819 UDCZKWQXCLLFTR-UHFFFAOYSA-N 418.474 1.776 30 10 HDEE COc1ccc(OC)c([C@@H](C)NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 619510251 OGYZGMYWWWWBKT-MRXNPFEDSA-N 409.490 1.970 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N2CCNCC2)cc1B1OC(C)(C)C(C)(C)O1 725425508 KJPOHLWJBIZALA-UHFFFAOYSA-N 410.345 1.367 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(C)c(F)c2)no1)[C@@H]1CCS(=O)(=O)C1 729335997 YXHDOZCMWNVKQB-OAHLLOKOSA-N 405.451 1.766 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4nccn4C)CC3)ccc2c1=O 729975940 YJUBRFLCWRXULX-UHFFFAOYSA-N 424.530 1.563 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1c(C)cccc1C 730138348 BZTFPOOTDHEMPV-OAHLLOKOSA-N 419.551 1.049 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 732031103 HQKKIOQSSXHGSL-HNNXBMFYSA-N 420.491 1.469 30 10 HDEE N#C[C@@H]1CN(C(=O)c2nccnc2C(=O)NCc2ccc(F)cc2)CCN1C1CC1 732664288 GOYLQMBSLZZHJX-QGZVFWFLSA-N 408.437 1.358 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)cc1 733992975 PQIAYQSGPKXIIO-LJQANCHMSA-N 411.483 1.524 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N(C)Cc1cccc(F)c1 741339175 CHZQQOMPRXKRMF-NIVDNSEKSA-N 403.410 1.632 30 10 HDEE C[C@H](CC#N)NC(=O)C[C@]1(C(=O)N[C@H](C)CC#N)CCN(C(=O)OC(C)(C)C)C1 746186017 UZCONXZUFWJKSF-STXHMFSFSA-N 405.499 1.840 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)CC1 747855644 BGXQMGVGJZWAGI-CALCHBBNSA-N 413.522 1.366 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)c3c(C)oc(-n4cccc4)c3C#N)CC2)nn1 749409641 PXXQFYZERUIBKL-UHFFFAOYSA-N 420.429 1.789 30 10 HDEE N#Cc1cc(S(=O)(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1F 756212013 QYODEZYJBHKPFN-UHFFFAOYSA-N 415.390 1.290 30 10 HDEE COc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cnc2c1cnn2C 757580040 HOQGCJOMKLKWID-SMDDNHRTSA-N 400.439 1.466 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN(c3ncccn3)C2)C1 758385673 VXKVODSAWOQVAV-ARFHVFGLSA-N 415.498 1.504 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CCN1C1CC1 758456996 XYLDPBPLAARFOJ-KRWDZBQOSA-N 400.504 1.273 30 10 HDEE C#CCN(C(=O)NC[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCS(=O)(=O)C1 759687902 VJAORQPSJNWCCU-SVFBPWRDSA-N 422.522 1.731 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 763787131 OQJHMYQGQBQMFG-SJLPKXTDSA-N 420.487 1.709 30 10 HDEE C#CCN1CCN(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)CC1 765528830 VZRIOCXNFYHGRE-UHFFFAOYSA-N 422.514 1.851 30 10 HDEE C#CCN(C(=O)Nc1ccc(I)cc1)[C@H]1CCS(=O)(=O)C1 774014909 HENZQNZGRMYSLE-ZDUSSCGKSA-N 418.256 1.945 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 779659190 BABNNGOMSGMNAS-GJZGRUSLSA-N 423.514 1.024 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1C#N 793388468 LXFJMIAWPLKROI-UHFFFAOYSA-N 406.489 1.297 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 804456575 ZYOOFJAAKAEQLD-INIZCTEOSA-N 401.444 1.624 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H](C)S(=O)(=O)c2sccc21)[C@H]1CCS(=O)(=O)C1 812650283 TZBPOZJVNGSJOK-OBJOEFQTSA-N 416.546 1.187 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)OCc3cccnc3C#N)cc2S1(=O)=O 813166172 KITJGVHOJUMDNA-UHFFFAOYSA-N 401.400 1.101 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCCOC2)C1 813816980 UGVXVQWKZGXZCA-INIZCTEOSA-N 405.520 1.779 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2cc3ccccc3n(C)c2=O)c1 816170873 BDAVRUYQKYKUSP-UHFFFAOYSA-N 410.451 1.807 30 10 HDEE COc1ccc(C=NNc2nc(SCCCO)n[nH]2)cc1OCn1cccn1 1084525181 YQWUVSFJDVEKLN-UHFFFAOYSA-N 403.468 1.967 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@@](C)(C#N)CN(C)C)cc2)C1 1128703656 NRNZDTIMYLPIKG-YRNRMSPPSA-N 406.552 1.927 30 10 HDEE COC1(C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)CS(=O)(=O)C1 1128825041 BCALYZPDYSHWMT-UHFFFAOYSA-N 402.476 1.794 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCC(=O)Nc1ccc(I)cc1 1128952207 XIYIJBJEDUOCCH-OLZOCXBDSA-N 400.216 1.937 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129022066 ZRSNACXLFZMOIU-RDTXWAMCSA-N 401.529 1.223 30 10 HDEE C=C(C)CONC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1144639962 JCRFGRNMJLFEEB-LJQANCHMSA-N 400.472 1.958 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)ns2)CC1 1149349663 KZBAVIIOOYHFHW-NSHDSACASA-N 416.935 1.805 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(N)(=O)=O)cc(Cl)c1F 1165508540 RTWGNUQLQLDYJI-UHFFFAOYSA-N 404.847 1.544 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCOC[C@@]2(CO)C1 1176524813 VALUDFGPLUHDOI-UZLBHIALSA-N 404.536 1.398 30 10 HDEE O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cccc2ccccc12 1184341386 YXNWKVXKCGZDLY-SJORKVTESA-N 402.472 1.593 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1212391969 CZZFWTACIGXFHH-GFCCVEGCSA-N 404.282 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1286290684 AOOBDEGMYILPOK-HOCLYGCPSA-N 422.511 1.085 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1286303277 BUAJXTGPZLYWRI-NCOADZHNSA-N 419.526 1.922 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCN1CCCO 1286368116 VUKUBCDIUWYTPO-GOSISDBHSA-N 411.506 1.633 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1286467902 WNLFAEJCKPENTH-SFHVURJKSA-N 407.478 1.701 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1286592010 BMCJCAWZPWLGJO-KRWDZBQOSA-N 410.526 1.444 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286607889 LHCAVSORTCTACN-UHFFFAOYSA-N 418.586 1.860 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)CC1 1286660226 HYQJFSMDXNJDQT-SFHVURJKSA-N 408.506 1.973 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286710381 VVQJHGLWFAZWTQ-QGZVFWFLSA-N 418.542 1.517 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286782213 OGAPDFMOXSHYRM-YJBOKZPZSA-N 410.478 1.359 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CC2)C1 1286810229 ORNRHBFBHRXIPV-HZPDHXFCSA-N 410.540 1.531 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC)C1 1286810840 WMZRPJXNOGGUDA-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1291303251 PFUSUNVJHSUNJL-HNNXBMFYSA-N 419.507 1.103 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H](O)c2cnn(C)c2)c1 1291722565 QGCKSPYWOYZPJD-LFTLAFEGSA-N 419.507 1.685 30 10 HDEE COc1ccnc(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1292470559 SPTRKQNGQIMVDX-OAHLLOKOSA-N 418.498 1.721 30 10 HDEE CCN(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1295119897 XGXTYGTUYQYZPB-FMQUCBEESA-N 410.478 1.882 30 10 HDEE CN1CC[C@](O)(Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1 1298881417 FGJRXHZRVZMJHF-FCHUYYIVSA-N 412.513 1.962 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCOCC1 1300315573 ZWFFANANEXMHCB-KRWDZBQOSA-N 408.506 1.906 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CC(=O)N(CCOC)C2)c1 1300331801 QMQDJIFYGQSZLU-SFHVURJKSA-N 424.505 1.138 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCCC(=O)NC 1300391826 UUVHMSVOEOVIKB-UHFFFAOYSA-N 417.535 1.724 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCC(=O)N1CCOCC1 1300512507 XCSIYCZHJUNFGG-UHFFFAOYSA-N 411.893 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1300529089 DTRWUGLQBXCQGK-QGZVFWFLSA-N 404.478 1.152 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCCC 1300579736 WGPGEZRGKPGZNT-SFHVURJKSA-N 406.490 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCC[C@H]2C)CC1 1300727427 XKXXIWPJVUGWLE-GOSISDBHSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300743501 SEASMNLDVAEVIG-OKILXGFUSA-N 424.324 1.964 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300839475 IDDXIADMFSGIDW-RYUDHWBXSA-N 409.244 1.701 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1301530137 VMRRIQNKKHMWEZ-UHFFFAOYSA-N 407.478 1.786 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1301566730 PWOBJWHWBZDVER-XLIONFOSSA-N 424.567 1.342 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CCC1 1302425076 AARXVDYWQQQONF-UHFFFAOYSA-N 415.523 1.832 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1302685555 IOECOVULJAIJRQ-ZWKOTPCHSA-N 411.510 1.535 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ncn(C)n1 1305522008 GTADARGERYKLFH-HNNXBMFYSA-N 406.498 1.562 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305772426 WXYRESQCFXPJQG-VLGSPTGOSA-N 415.498 1.323 30 10 HDEE Cc1sc(NC(=O)CN2Cc3nnc(C)n3C[C@@H]2C(=O)N(C)C)c(C#N)c1C 1308146744 KLIOJEGQBUIFNI-CQSZACIVSA-N 401.496 1.048 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1310289794 BSMONPCPINOJHO-MOPGFXCFSA-N 402.495 1.837 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCCNS(=O)(=O)c3cccnc3)cc21 1311251479 CUTIECUVUFHAIX-UHFFFAOYSA-N 400.464 1.717 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1312935781 BHJXCTJWWCRFJX-OAHLLOKOSA-N 403.479 1.982 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 1313417954 GRZQRFXOAUUWSW-CYBMUJFWSA-N 423.491 1.648 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1314020924 UKGSBWLMGKXYKZ-OAHLLOKOSA-N 413.438 1.021 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1314930169 CEIVZGSDIZFVOP-DYESRHJHSA-N 419.549 1.640 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1c(C)nn(C)c1C 1316285036 JVTZOGRXEGZIGE-KNBMTAEXSA-N 417.489 1.843 30 10 HDEE N#C[C@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCCO)CCO1 1316535080 DDXQKODTPSEKIF-IBGZPJMESA-N 411.506 1.876 30 10 HDEE C=CCO[C@H]1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)C1 1321209728 IXLBSGZNSGVVHW-INIZCTEOSA-N 401.550 1.921 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358893312 RWNYJXONKQADQK-INIZCTEOSA-N 424.530 1.678 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1358938826 KFEDUNOXHXDULX-ZACQAIPSSA-N 410.588 1.326 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(OC)nc1 1358946261 OIZSHGWAGULNPB-UHFFFAOYSA-N 415.457 1.713 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCCc1ccccc1 1358946764 HWYIBJOPUIVKII-UHFFFAOYSA-N 420.473 1.434 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(F)(F)F 1358949094 SLMOTJLUSGPCRL-GFCCVEGCSA-N 423.461 1.269 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1358959640 MZJNUDJZTTXJII-HNNXBMFYSA-N 416.503 1.924 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1358970005 CBNKYNWVWNUPSL-HNNXBMFYSA-N 419.482 1.179 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1359231744 DUGYYRLKIAIXHU-OAQYLSRUSA-N 424.509 1.965 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(N(C)C(C)=O)CC1 1359302743 RYMHRWKYHAMNRN-UHFFFAOYSA-N 411.510 1.013 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cc(I)nn1C 1434957605 YQOMHTIMVPAMOK-UHFFFAOYSA-N 408.199 1.640 30 10 HDEE CC[C@@H](C#N)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1440350382 AHNRVFGOGKYGND-LBPRGKRZSA-N 400.298 1.832 30 10 HDEE COCC(=O)NC1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1441469050 RQQFHLADWMXKTG-INIZCTEOSA-N 410.515 1.717 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1453302499 FVIJUJJNOCEHJR-LXZKKBNFSA-N 411.911 1.616 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1453885941 TUCBTFCNWJSLND-CRAIPNDOSA-N 411.911 1.635 30 10 HDEE CC(C)(Oc1ccc(C#N)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1456724836 CSIBWVSXZGGALU-RDYUPDBUSA-N 419.503 1.043 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1457026252 LOOSULLLAFJKFH-GUDFKEGOSA-N 418.494 1.807 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 1459877785 ALIHXSWKTOGYGC-KRWDZBQOSA-N 400.932 1.990 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1462847223 VGXRZHNXSILOPD-UHFFFAOYSA-N 407.536 1.889 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1466610063 ZDTLDAGQOLCBOA-QGZVFWFLSA-N 400.479 1.268 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1468454434 VOJMKAULODRKSA-KRWDZBQOSA-N 419.459 1.606 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1471125644 SUEGTZMXZRLXHW-YJYMSZOUSA-N 400.447 1.586 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@]23CCCC[C@]2(CN(C)C3)C1 1472416662 DPYNAQWGASNRSC-NDXORKPFSA-N 416.547 1.559 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 1478282918 NJFQJUINZCBWPG-CQSZACIVSA-N 410.414 1.909 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)CC(=O)NC(C)C)n2Cc2ccc(C#N)o2)n1 1492734487 ONKAMDHOMAOZMR-UHFFFAOYSA-N 410.482 1.614 30 10 HDEE CCN1CCN(CCCCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1502351122 LSXUHLUUAHKCEL-FQEVSTJZSA-N 424.553 1.487 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)n1 1507645766 KOLMXBBVPXJGMP-UHFFFAOYSA-N 417.473 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COc2ccccc2O1 1507658713 FSYVGSBQOJOBOG-GOSISDBHSA-N 419.485 1.817 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1507844774 PGDNTNHAFCPKJG-XLIONFOSSA-N 424.567 1.780 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507935691 UAPNCGMUEJNSGT-BRWVUGGUSA-N 421.567 1.784 30 10 HDEE C=CCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508053198 SWYNZMLOEOGLNR-UHFFFAOYSA-N 400.458 1.844 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)Cc1ccc2c(c1)OCCO2 1508095232 UBLBRZLVAFMTKJ-UHFFFAOYSA-N 401.467 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCC(=O)N2)C1 1508125814 JAYWRBJUYLARGY-GDBMZVCRSA-N 402.524 1.694 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnn(CC)c1 1508139720 DDGYFUROGKKEJK-MRXNPFEDSA-N 408.528 1.236 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCC(=O)N1CCOCC1 1511905047 DKAVMPUUSZVZSN-LJQANCHMSA-N 410.478 1.285 30 10 HDEE CCCNC(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1515067991 ILROXWHTSAIJFU-UHFFFAOYSA-N 409.494 1.997 30 10 HDEE COC[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1518858149 UUMYSMUOOFMFCM-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE COCCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1519067667 OEDRPUBYDMJRIW-UHFFFAOYSA-N 405.466 1.365 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@@H]4C3)n2CCOCC(F)F)c1 1521069343 IXWPSHSUSVRYQW-JKSUJKDBSA-N 416.432 1.813 30 10 HDEE C#CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C2)CCOCC1 1522389504 ZFTSIWNIANZHPS-UIOOOSCTSA-N 400.519 1.871 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCn2cnnn2)c1 1525957106 WASMLNAHFLHQJC-SILNSSARSA-N 405.484 1.295 30 10 HDEE Cc1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)ncc1C#N 1526768308 QJEZPJANAYQXNY-UHFFFAOYSA-N 414.487 1.354 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C1CCOCC1 1532934745 SXLNSQLWDXTSHD-BDXSIMOUSA-N 406.548 1.828 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCc4cc(Br)ccc43)C[C@H]1CS(=O)(=O)C2 1537005575 IVVGKWVAOXNWKT-YLQAJVPDSA-N 409.305 1.876 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@H](CC#N)C(F)(F)F)CC1 1538122644 DNIZDXCNUSWOSI-GFCCVEGCSA-N 408.402 1.653 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539045301 SDXWRMYTZKJDCK-KRWDZBQOSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1539101702 GGNQTIRXDPJMGR-HNNXBMFYSA-N 401.492 1.074 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1539179550 PSQRZCHSAUWSDK-MSOLQXFVSA-N 401.536 1.553 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1540071751 HNCQCNHURZQBID-INIZCTEOSA-N 407.496 1.352 30 10 HDEE Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1545877318 ZJHMBTDCIMRKLT-INIZCTEOSA-N 406.439 1.677 30 10 HDEE CCCN1CC[C@H](Cn2c(CC)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)C1 1547175998 HQYRHHNEBGQCMZ-MSOLQXFVSA-N 423.569 1.949 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CC=CCC2)CCOC1 1547884481 NHOBJVHMTDRNIX-OAQYLSRUSA-N 400.527 1.932 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1555670258 UMHOXTOIXJBHPG-IRXDYDNUSA-N 420.514 1.133 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1556289247 SAFUICCTYIAZBJ-CHWSQXEVSA-N 405.417 1.820 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H](NC(=O)CCn3cc(C#N)c(O)nc3=O)C[C@H]1C2 1558237178 KSFCJHASUBAVRO-AEGPPILISA-N 417.466 1.115 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)C1 1565346227 KIZOABCHVGWAHB-UXHICEINSA-N 412.534 1.714 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1C#N 1565346806 XVRVBADMZXLRLO-UHFFFAOYSA-N 401.536 1.730 30 10 HDEE C=C(CC(C)C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1566935309 CTUBVDKIDQLMEW-UHFFFAOYSA-N 418.537 1.510 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)[C@@H](O)c3ccc(C#N)cc3)O2)C1 1584914976 CHRXVPDRDUILTQ-IRXDYDNUSA-N 401.463 1.876 30 10 HDEE CO[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1Br 1585296263 KBIZPNPLCMHQEL-IDTYTIONSA-N 408.252 1.779 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)c1 1586357386 DNEDJLIDSMBPTJ-GOSISDBHSA-N 403.435 1.615 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587615179 RSIWIWDDMFJANL-UKRRQHHQSA-N 411.432 1.400 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1587904288 DBQUBPGUIYEGMX-UHFFFAOYSA-N 410.522 1.366 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588055465 WBKMXGGZATXUAM-ZWKOTPCHSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc2n1CCCCC2 1588224117 PRWSSSNCPSWUQU-INIZCTEOSA-N 406.494 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC(C)(C)N1CCOCC1 1588237408 ADHANNZBMDHLSQ-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCC[C@@H](C)C1 1588559495 IXZCPXZTUOZDTA-MSOLQXFVSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCN2CCc3sccc3C2)CC1 1588877138 WRIKSHZYTVOPHN-UHFFFAOYSA-N 414.579 1.690 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N(C)C)CC1 1589047860 LMJUYTZZOVCBHF-UHFFFAOYSA-N 413.551 1.796 30 10 HDEE Cn1ncnc1C1(O)CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1594069168 RMHJTVFXSIHMON-AWEZNQCLSA-N 406.487 1.212 30 10 HDEE N#Cc1ccc(O)c(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1598128333 ORLXPCGXOIWRHH-UHFFFAOYSA-N 401.444 1.662 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 1611771464 KCPOIDQAXNDETH-UHFFFAOYSA-N 415.431 1.575 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)Cc2ccccc2)cc1 1614518450 RJWKPSHBEMOUPK-PBHICJAKSA-N 415.471 1.031 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@](C)(O)C(C)C 1616823311 AXTBUXRMVNOZDN-FQEVSTJZSA-N 400.483 1.757 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1617312366 BKELOOXFUPBCFS-PBHICJAKSA-N 403.508 1.459 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCO[C@H]1CCOC1 1617907646 HBWBOQNMCSIFFE-OALUTQOASA-N 424.505 1.933 30 10 HDEE COC(=O)[C@@H](c1cccc(OC)c1)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1619904271 CJXYEWYVUZOXHM-PZJWPPBQSA-N 416.522 1.533 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC1=C(C(=O)OCC)[C@@H](c2ccco2)NC(=O)N1 1619905560 YACRPQGTOZPWBQ-GOSISDBHSA-N 417.462 1.728 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CC[C@H]1C2 1620175288 JZAPQIXRANPTHH-RDJZCZTQSA-N 400.508 1.745 30 10 HDEE CN(C)C(=O)C1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCCC1 1624454198 OVALCJCQKOBDTO-UHFFFAOYSA-N 406.508 1.399 30 10 HDEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1624892318 GMEPJOCVKNGMHN-HAVVHWLPSA-N 417.491 1.416 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)CC1 1625580356 DJBGCFHBNNYEOP-FPQWYMTMSA-N 408.462 1.189 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1c(C)nc2[nH]n(C)c(=O)c2c1C 1628680664 QOFZXNZYBYVIMV-UHFFFAOYSA-N 400.479 1.615 30 10 HDEE COCCOCCN(CCO)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1629379485 DWDNLRNUXHJYIY-UHFFFAOYSA-N 407.316 1.392 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1629525143 RSLPKZDRFYABSE-UHFFFAOYSA-N 416.503 1.974 30 10 HDEE C[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC[C@H]1N1CCN(C)CC1 1630635255 FEUQWGYZXJWWTP-HNAYVOBHSA-N 422.526 1.221 30 10 HDEE CN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)NC1=O 1630687379 RKENVOALFXPSNU-UFPHYQGISA-N 407.496 1.242 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)C[C@H](O)C(F)(F)F)s1 1633480722 UFTQGJWDKBKGJA-NSHDSACASA-N 400.444 1.527 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc3cc(Br)sc3[nH]2)c(=O)nc1O 1633549862 BZZKQFVOMLLQIJ-UHFFFAOYSA-N 408.237 1.556 30 10 HDEE COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1633894811 IGZYNRNJBFGDKD-OAHLLOKOSA-N 416.503 1.904 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1638678854 ULAKYYSDKBRHTG-SONCPKABSA-N 408.502 1.004 30 10 HDEE C=C(C)CONC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1640652483 CQTWIPNZXSBSFO-UHFFFAOYSA-N 407.286 1.611 30 10 HDEE COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)N[C@H](C#N)CO 1640691368 LQKGZQIAOZJZJF-CQSZACIVSA-N 401.444 1.061 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(NC(=O)C(F)(F)F)nc1 1642321560 WOJAZZWBJKXDDH-PFONDFGASA-N 411.340 1.115 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 1642499149 BUYNDWRULHVTDZ-UHFFFAOYSA-N 423.260 1.793 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)C1 1643878081 MZMQJKDOVKPOAV-JLTOFOAXSA-N 422.482 1.884 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(CC2CCOCC2)C1 1644612330 HTQSRZWNFYAFEE-UHFFFAOYSA-N 405.520 1.780 30 10 HDEE COC(=O)CN(CC#Cc1ccc(OC(F)(F)F)cc1)CCN1CCOCC1 1644657074 DEHZHIPQVMHAKV-UHFFFAOYSA-N 400.397 1.744 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCN(C)C)c2cccnc2)cc1 1646016459 GAMKVSXNSIYWGP-IBGZPJMESA-N 400.504 1.416 30 10 HDEE CCO[C@@H]1CN([C@H](C(N)=O)c2ccc(C#N)cc2)C[C@H]1CNC(=O)OC(C)(C)C 1646922910 ROAUSGHGUWAQHQ-KURKYZTESA-N 402.495 1.946 30 10 HDEE CCOC(=O)CON=C(C(=O)N1Cc2cccnc2N2CCC[C@@H]2C1)c1cc[nH]n1 1649059155 GRCIUYQYBHYGRM-OAHLLOKOSA-N 412.450 1.100 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2ccc3ccccc3c2)CC1 1650846145 LPKAPHWSZZBUCV-UHFFFAOYSA-N 403.529 1.544 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)CC1 1650846506 ZVAJGIWFLCCLBF-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCn3cnc4c(N)ncnc43)CC2)c(F)c1 1651088716 FZHOVJHSUJMUTC-UHFFFAOYSA-N 408.441 1.452 30 10 HDEE CCc1cc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1 1652292033 OYQFAOSCGPWGSZ-IFXJQAMLSA-N 413.459 1.989 30 10 HDEE C=CCO[C@@H]1CCN(C[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)C1 1652994457 UGIXEYIQSZRWQY-QZTJIDSGSA-N 401.463 1.676 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 1656310358 MRESNIBHAKXWNF-HOTGVXAUSA-N 421.519 1.985 30 10 HDEE CN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[C@@H](O)c1cccc(C#N)c1 1659322187 MDAIQUHJZORXPR-OAQYLSRUSA-N 423.473 1.780 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H](O)Cc2ccc(F)cc2)C1 1671494841 GQQPBBQTUUYTDO-USXIJHARSA-N 406.458 1.787 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)C1 1671495592 UOCGRPPIZXVCIN-SOUVJXGZSA-N 407.471 1.275 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)ccc1F 1671783170 BZPJZNQZOSEMKU-UHFFFAOYSA-N 418.454 1.355 30 10 HDEE C=C(Br)CNC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1677150767 YEVANTVJHKRKTQ-UHFFFAOYSA-N 422.301 1.650 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 1679365288 FMHUOZFNCSMUPH-HNNXBMFYSA-N 403.545 1.970 30 10 HDEE C#Cc1ccc(CNC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1682509095 LPNVXSFDHKAYQI-KRWDZBQOSA-N 412.490 1.687 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2ccccc2OCC)CC1 1683516042 SNULRPPJVDJOOZ-KRWDZBQOSA-N 408.524 1.331 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)CC2)c1 1683703380 OFGOSBMHSABGSV-UXHICEINSA-N 416.547 1.884 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@H]3CCCS3)CC2)cc1 1684240963 GULNBRBQDJJVES-MRXNPFEDSA-N 408.549 1.860 30 10 HDEE COc1ccc(CNC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1C#N 1684966953 LFSORZFLXBQPHN-KDURUIRLSA-N 418.453 1.893 30 10 HDEE CCN1CCC[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1685412034 BZESGAGPOFPABK-LJQANCHMSA-N 406.490 1.949 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1689861542 WUJUCXZVDIFJNT-CEXHIMGSSA-N 405.549 1.639 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1689930317 PGQSATCVDZWAJH-INIZCTEOSA-N 419.551 1.089 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)c(OC)c(OC)c1 1689971915 AOGWERCTRJABAR-UHFFFAOYSA-N 413.478 1.544 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O 1690200279 QTCDJPFYPPSLQZ-LJQANCHMSA-N 417.491 1.215 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690311102 CQYVISMAGNXQNW-HRCADAONSA-N 400.545 1.633 30 10 HDEE C=CCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653284 KOSBKYMMCNMHFC-HXUWFJFHSA-N 402.499 1.735 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2[C@H]1C 1690655427 UKNOTDMVYWGSRC-MRXNPFEDSA-N 408.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1690672526 VFXUOWVDNLBFIA-KRWDZBQOSA-N 416.570 1.912 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC(F)(F)CO1 1692539364 LGSXDYDMHXIPNI-HUUCEWRRSA-N 423.468 1.017 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1692855144 VMCOMFQNNOTRDK-GAJRUTHPSA-N 420.477 1.930 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1 1692889358 PQWZPTNQOKSAES-HZPDHXFCSA-N 414.466 1.580 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1697698484 MOIGZWWSTJDGFQ-HRCADAONSA-N 418.885 1.774 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C[C@@H]1C[C@H]1C1CC1 1702918075 ILJXWTAYPDGTNI-ADHGMGHFSA-N 402.539 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOCC1 1705486262 ADACENOHODMOBW-KRWDZBQOSA-N 411.506 1.897 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1705581372 ZXEOFXVBFGSOOJ-IEBWSBKVSA-N 416.485 1.355 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@]1(O)CCOC1 1705630483 VAAKPKKGZKYENK-QFIPXVFZSA-N 414.506 1.711 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705726750 DGCCLILUEAGZFV-UHFFFAOYSA-N 415.567 1.611 30 10 HDEE C=C(C)COCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705740758 WFOLWRUHBMHHJI-RXVVDRJESA-N 421.542 1.044 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)C1CC1 1705849334 JUBDGXRYPGAMGW-NARAOEGZSA-N 423.583 1.984 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)CC(C)(C)CN1CCOCC1 1705889553 GYBOJITYKRRFQZ-UHFFFAOYSA-N 416.526 1.986 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)O[C@H](C)C1 1705895080 SZTHRTREQLEZJK-CABCVRRESA-N 413.482 1.231 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(F)cc1 1705901447 LUEDTSINHOIDON-CZUORRHYSA-N 400.458 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1705930725 URVDNGOJZOKXKN-OAHLLOKOSA-N 409.556 1.499 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705943487 CCDZNCAQXPRGLQ-CABCVRRESA-N 422.555 1.863 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cn[nH]c2)CCOC1 1706672341 MPKFBRYGHQNCQU-MOPGFXCFSA-N 403.462 1.726 30 10 HDEE Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1707502336 FTDRFHOOJPGIRU-SFHVURJKSA-N 405.462 1.048 30 10 HDEE CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1708123005 DZOFQDHOZSPQHY-KIJUOZEOSA-N 400.483 1.545 30 10 HDEE CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1711619645 DUYDBCROEOGBHI-RBUKOAKNSA-N 415.429 1.173 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccco1 1712529816 CUVHBZMRNVYAJL-MDASCCDHSA-N 407.446 1.945 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712882869 OBUSDBNQLLGMLL-KIJUOZEOSA-N 411.466 1.048 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1cc(OC)no1 1719830378 MGWSXGYPKSMPHZ-ZPHFWKLASA-N 403.479 1.845 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1722324319 PEBSPDGCFNZQAE-HOTGVXAUSA-N 419.555 1.104 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1722407831 UDMIMVQIRJFECB-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1722411048 WYEGSJUTBKCRBR-SFHVURJKSA-N 424.505 1.243 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CCC2)CC1 1722435597 LPLGOHZRUWHILH-PMERELPUSA-N 422.558 1.873 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCOCCN(C)C 1722465754 BVFFUEUFMSOLLE-OAQYLSRUSA-N 411.510 1.496 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H]1C 1722737124 UBSPJIGSURKHDY-QZWWFDLISA-N 412.556 1.838 30 10 HDEE CC/C=C/Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1727861789 MMMWMISUCBCUNN-DWTRPJMMSA-N 408.528 1.317 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740625480 FXWFVMBXPHKFDA-MSOLQXFVSA-N 423.583 1.487 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCOC1 1740647869 XZRSIXOMIYNLHW-QFIPXVFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1740668233 IAFFOPUDXKOWCJ-OAHLLOKOSA-N 413.478 1.763 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCC=C)CC1 1740689993 MCAOTLLVZDBTMU-UHFFFAOYSA-N 409.494 1.273 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](CCC)OC)CC1 1740692218 GQBFXQJLRVIDIU-GHTZIAJQSA-N 405.543 1.501 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1740786162 RVQQBXJVSOTTOO-KXBFYZLASA-N 404.471 1.776 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1OC 1740899903 QOIIZDYXDJSOIH-AWEZNQCLSA-N 407.496 1.263 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1740946226 BKDBCCUMTUEPIY-RDJZCZTQSA-N 400.527 1.890 30 10 HDEE C=CCn1c(N2CCN(C3CCOCC3)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1740949565 KZNGXCAHRBIPCT-DYESRHJHSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1740963072 YDVCLRRETFGGFI-UHFFFAOYSA-N 424.505 1.013 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCn2cc(Cl)cn2)C1 1740981835 XWSHUBQCMUFGMV-HUUCEWRRSA-N 405.890 1.561 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)[C@@H](C)C1 1741044683 NIMLYUCDLLZSEL-AOMKIAJQSA-N 424.505 1.679 30 10 HDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1741758187 BBASHXFESOPODY-SFHVURJKSA-N 409.494 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1cccc(F)c1 1748639057 BGKHSYDJPKXHIW-RRFJBIMHSA-N 423.514 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCOCC1CCOCC1 1748685063 UHGHFRKECDUSQU-KRWDZBQOSA-N 403.527 1.692 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](C)(C(=O)NC)C1 1748758984 BHQCKLWYXPQYGV-FQEVSTJZSA-N 414.535 1.645 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1748776348 GGJKIHFEWQBTMR-NRFANRHFSA-N 413.478 1.519 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1748818477 ZXDCHNMAXXIDCN-HZPDHXFCSA-N 404.492 1.358 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1748913422 VILQHHWLWBDAGD-RXVVDRJESA-N 403.527 1.648 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCn2ccnc2C)CC1 1748993059 OVXIMRWACXOTOQ-UHFFFAOYSA-N 404.522 1.614 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCCN(S(C)(=O)=O)CC1 1749223694 XSZCUJZZVNPCJO-UHFFFAOYSA-N 408.528 1.338 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1 1749269696 UULVUPIPSAGCRG-HUUCEWRRSA-N 418.947 1.422 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1750064207 YOIAOJBMGJSBOS-OAHLLOKOSA-N 416.507 1.474 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCN1CCOCC1 1750957038 HUVRBCZPILMTPU-OAQYLSRUSA-N 417.558 1.659 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1751099556 DQDATIGMOJEVMG-CYBMUJFWSA-N 405.466 1.103 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@@](=O)CC 1760112058 ABTVAFZKVRGNDC-OFJJUDJNSA-N 415.567 1.679 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1760130435 IJMJJWBUIKJDMS-KRWDZBQOSA-N 422.599 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1760199978 PDQQFIBKNNVXOB-UHFFFAOYSA-N 403.446 1.180 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1760269035 WCVVZYMQEOWMSL-SJLPKXTDSA-N 423.521 1.252 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760445897 YRSWUTZGXLEZNS-TWOQFEAHSA-N 405.499 1.999 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccc(OC)n2)CC1 1760514866 NKUQNVCIAXJYGN-RDJZCZTQSA-N 415.498 1.313 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1763755272 KMCOWXXDEDSMMK-AOMKIAJQSA-N 422.537 1.863 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1764487313 BSTSUWVQGRIMCA-FXAWDEMLSA-N 410.522 1.957 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1767059063 RLAKASNNAGKWPY-MHORFTMASA-N 404.515 1.215 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1770052312 ROOLMXCWYSMODB-OGWOLHLISA-N 421.523 1.700 30 10 HDEE N#CC1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)CC1 1770748164 XDAMAFCROSILGQ-CQSZACIVSA-N 413.507 1.288 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCCN2CCOCC2)CCO1 1770751623 IYCNWZURTIFXBS-LJQANCHMSA-N 402.543 1.852 30 10 HDEE COCCOc1cncc(C(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c1 1849690088 VCSZEACSWLNCOS-UHFFFAOYSA-N 400.479 1.721 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(F)cc1)NCC#CCN1CCc2ccccc2C1 1850089518 HPLFMCKVLYQKHN-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE C[C@@H]1Oc2ccccc2N(CC(=O)NCC#CCN2CCc3ccccc3C2)C1=O 1850526707 VQZNSBRJAYNTNW-SFHVURJKSA-N 403.482 1.978 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC3(C#N)CCOCC3)C2)cc1 1850741031 RZKAQLLRLQSHCL-MRXNPFEDSA-N 421.519 1.532 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)C3CCN(c4ccc(Cl)nn4)CC3)CO2)nc1 1851683360 SZMAIWZGWYVBDD-OAHLLOKOSA-N 414.853 1.977 30 10 HDEE CCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(F)c(C)c1 1852504888 HEBFXBYWCCTWHX-UHFFFAOYSA-N 420.452 1.901 30 10 HDEE COc1cccc(N2C[C@@H](CNC(=O)Cc3cc4c(cc3C#N)OCO4)OC2=O)c1 1852757523 DZBGRWLDSJHGCD-QGZVFWFLSA-N 409.398 1.980 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)COc2ccc3c(c2)OCO3)CC1 1852839756 PGPDXDQKQHHYDB-UHFFFAOYSA-N 410.430 1.426 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)c3nc(-c4ccccc4)ccc3C#N)C2)c1=O 1852981193 QNLRGZJSJCBRBT-GOSISDBHSA-N 415.453 1.958 30 10 HDEE Cn1nnc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)c1C(F)F 1853317316 ABWAYFRSRTYPEN-OAHLLOKOSA-N 421.404 1.561 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccn2)C(=O)C1 1853952710 GHZOMVWOUUCPDQ-HZPDHXFCSA-N 410.455 1.116 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cnoc3C)C3(CCCC3)C2=O)CC1=O 1854094215 YUDQSIDLZXNWBM-MRXNPFEDSA-N 400.479 1.501 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cccc(Cl)n2)C1=O)[C@@H]1CCN(C)C1=O 1854099511 LVOIMVYGKARCDB-JKSUJKDBSA-N 404.898 1.975 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](N(C)CCC#N)C1=O)n1nc(-c2ccccc2)ccc1=O 1854270313 XESIUWXHZKYQDY-VQIMIIECSA-N 407.474 1.834 30 10 HDEE CN(CCN1CCCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1854441058 KJSAPJFJTJLEFZ-UHFFFAOYSA-N 418.519 1.512 30 10 HDEE CC1(C)CC[C@@H](N2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)C1=O 1854950364 UUMDUCDNVYAIMI-RTBURBONSA-N 408.502 1.675 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2)CC1 1855066557 ZYAJEOUCEQEIGU-JKSUJKDBSA-N 402.520 1.238 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCCc4nc(OC)ccc43)CC2=O)CC1=O 1855610866 JRTPQLNKFNUINK-HZPDHXFCSA-N 412.490 1.252 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(N(C)C)nn2)CCN1CCOc1ccc(C#N)cc1 1855908248 HFPXANGWPMEOQH-OAHLLOKOSA-N 408.462 1.166 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@H]1C 1856258137 BCEQUWAWWYXWSP-ZIAGYGMSSA-N 411.911 1.865 30 10 HDEE CCC[C@H](F)C(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857126530 ZZXMPZFZNROCQH-MJGOQNOKSA-N 420.529 1.974 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(Cc3ccc(F)c(F)c3)C(=O)C2)cs1 1890529445 NLUFEZZDCAPJTA-UHFFFAOYSA-N 420.441 1.822 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1901973329 RAEJTJJYIKDBOF-ZBFHGGJFSA-N 418.446 1.606 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C3CC(C(F)F)C3)s2)OC1(C)C 1912678490 XMIWSQYRDAVSIS-UHFFFAOYSA-N 408.301 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCN=C2CN(C(=O)OC(C)(C)C)CCN2)CC1 1959294512 DFIXMPCPDJSSPT-UHFFFAOYSA-N 411.547 1.778 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 1985099746 BBMLODWPSMTJKH-WXRRBKDZSA-N 411.308 1.496 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(C)(C)O 1987674326 DGTCOBDODMNDNN-MSOLQXFVSA-N 416.522 1.887 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895199 IFKGGCGXBGBGBW-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2054408503 RNJGPEUDUKLRCI-UHFFFAOYSA-N 407.492 1.589 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2c(O)nc3sccn23)CCN1Cc1ccccc1 2174093072 DVJYOKXVJMYVJO-CQSZACIVSA-N 403.489 1.500 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2212231250 HQIBIHBRAUFZKY-AWEZNQCLSA-N 413.334 1.576 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCNC(=O)OC(C)(C)C)n1 2247845075 LUMMPRXZOSYRRI-UHFFFAOYSA-N 422.335 1.754 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405395 UDPIGHCAAIPGRB-IUODEOHRSA-N 421.303 1.593 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267374186 NXLBKWRIXMPQMS-MNOVXSKESA-N 405.372 1.456 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2cnns2)OC1(C)C 2267469965 CYDGWASUXGLVAR-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1 2267473369 DVSQFQXAAGEANJ-LLVKDONJSA-N 404.388 1.709 30 10 HDEE CCON(CCN)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267702821 MFSSNAVKWPKZDM-UHFFFAOYSA-N 410.754 1.602 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(CCS(C)(=O)=O)C(C)(C)C)C1 2281263747 QNNWXQJNMYJLMC-UHFFFAOYSA-N 400.541 1.965 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2282147082 IYAODBDKJWLDQP-MZHQLVBMSA-N 400.375 1.965 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC[C@H]3O)cc2Cl)OC1(C)C 2282311332 HDKOYJFQNNKYOW-GHMZBOCLSA-N 423.749 1.129 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(CCO)C1 2282312721 AJLWYCWHYYGCEJ-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCO[C@@H](CCF)C3)c2)OC1(C)C 2282330722 DCPBHLFHDCPVCM-ZDUSSCGKSA-N 405.322 1.796 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@H]3[C@H](C2=O)C3(F)F)OC1(C)C 2282331589 PFUMIYZSATVHKV-WCBMZHEXSA-N 405.253 1.460 30 10 HDEE C[C@@H]1SCCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335316 NXOCXYIFDJXXON-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC(F)(F)CN3)s2)OC1(C)C 2282339660 ZNKXZUSKPVTUET-JTQLQIEISA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(C)CCCCN3)c2)OC1(C)C 2282340725 JCZBTIAREABXAB-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@]2(C)CCNC2)OC1(C)C 2282494772 CCMWGYUNPUBNME-QGZVFWFLSA-N 400.737 1.670 30 10 HDEE CC[C@]1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282495627 OUUFPAJUTYTDFB-KRWDZBQOSA-N 400.375 1.609 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@H](O)C2)OC1(C)C 2282496233 XOHJFRWLHQJFKZ-NEPJUHHUSA-N 401.721 1.831 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282512045 QRQTXAHIHZYUEZ-VDBVYFBLSA-N 421.415 1.624 30 10 HDEE C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282827588 AIGJYWZLWYBWKA-WCQYABFASA-N 401.721 1.783 30 10 HDEE CSC1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCC1 2282857746 MDVQFCILBNELKR-UHFFFAOYSA-N 401.363 1.283 30 10 HDEE CN([C@@H](CO)CC1CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858339 VNXXOTWBGTTYKN-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H](O)C(F)(F)F)s2)OC1(C)C 2282860711 FNJCAQUOWVSJQZ-SECBINFHSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@](C)(C(=O)O)C3)c2)OC1(C)C 2284398193 VJYGWJCDZCMBDP-MRXNPFEDSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCO[C@H]3C(=O)O)sc2Cl)OC1(C)C 2284456625 DCPZIJIJMLSIPU-MWLCHTKSSA-N 401.677 1.673 30 10 HDEE COc1cc([C@@H]2C(=C(O)c3ccccc3)C(=O)C(=O)N2CCNC(C)=O)ccc1O 2296936435 SDSQVMOJDYZDBZ-LJQANCHMSA-N 410.426 1.959 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2300230841 PGRVDUREJUDEKJ-STQMWFEESA-N 420.319 1.505 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330472097 HDEUBVFSMJJVQU-UHFFFAOYSA-N 412.431 1.942 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1 2330795166 OAHOYHMPRIIJNT-UHFFFAOYSA-N 405.480 1.850 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(C(=O)OC)cc1 2331260459 KOFLAIPRJZBUJV-UHFFFAOYSA-N 419.507 1.754 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 2365200150 VZNMJDXFOIMLQP-KXBFYZLASA-N 402.557 1.553 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379823373 WOGKQSWBPULZMP-CQSZACIVSA-N 413.565 1.815 30 10 HDEE C[C@@H](CN(C)C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2379868367 FYNJIRQLYNLFPG-LBPRGKRZSA-N 403.379 1.154 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NC3CCCCC3)n[nH]2)cn1 59887377 UOUZSGFYKYCQIB-GIJQJNRQSA-N 406.516 1.635 30 10 HDEE C/C(Cl)=C/Cn1/c(=N/N=Cc2ccc(F)cc2)[nH]c2c1c(=O)n(C)c(=O)n2C 254873621 AWUOUWUWTYWTGM-VLWRUVLBSA-N 404.833 1.583 30 10 HDEE C#CCNC(=O)CN1CCCN(c2cc(C(F)(F)F)nc(-c3ccccn3)n2)CC1 301280762 MKADAXOFHZRXIT-UHFFFAOYSA-N 418.423 1.819 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 410067062 JDRMCXZTAXCJKU-DZGCQCFKSA-N 417.325 1.655 30 10 HDEE CCN(CC)CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 461541398 AYSBGHSPFAVUQT-UHFFFAOYSA-N 424.592 1.466 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 461748413 JVWLAFJUUJTXJE-UHFFFAOYSA-N 401.386 1.414 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)c1C#N 472269365 VFQSHISWHMJKLG-HXUWFJFHSA-N 400.483 1.510 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1C#N 489665684 ZKYHXHRKHHQJSR-INIZCTEOSA-N 412.450 1.953 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@@H](C#N)c3ccc(Br)cc3)cnc21 499410465 ASGKMUKBEXDIKN-ZDUSSCGKSA-N 401.224 1.274 30 10 HDEE C[C@@H](O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 502677413 FVUVOOMUISNOIL-FDCMFXBMSA-N 401.511 1.740 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(c3ncccc3C(F)(F)F)C2)CC1 503631105 UABITVKCRWASDY-AWEZNQCLSA-N 409.412 1.901 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 508919467 QQVBEQOGPGDHBA-MRXNPFEDSA-N 402.499 1.387 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Cn1cc(Br)c(O)nc1=O 519875557 MUWKSUXNRKNOSM-UHFFFAOYSA-N 423.223 1.834 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3(C#N)CCCC3)CC2)o1 520518763 GMJWXUDDLYZZLV-UHFFFAOYSA-N 423.491 1.810 30 10 HDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 530909640 XZMPAPUIBJAVBO-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE CCc1cc(N2CCC(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)ncn1 546216058 CJKUAUWHGSCGMQ-UHFFFAOYSA-N 420.521 1.806 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 549638502 QTNZGOLQFNCFKG-CQSZACIVSA-N 403.508 1.592 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NCc2cnc3ccc(C#N)cn23)c1 560244503 ZWCGUYCWSRKHFY-ZDUSSCGKSA-N 412.475 1.231 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3CCS(C)(=O)=O)cc2C1=O 561043445 TWGQEYIZMJVHLX-OAHLLOKOSA-N 404.488 1.898 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 561513754 IFQONTDBCPNNGW-JKSUJKDBSA-N 408.499 1.406 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 573496646 VNVCCMDYHQYHEM-AWEZNQCLSA-N 410.459 1.295 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@@H]1C 583112579 WHDZFHUDPZXDMR-YJBOKZPZSA-N 417.535 1.921 30 10 HDEE CNS(=O)(=O)c1cccc(I)c1B1OC(C)(C)C(C)(C)O1 694959573 RRHBABCRSBNOQT-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C#N)C3CC3)c2)CC1 731203867 ZJOIPPFPVBYAEI-KRWDZBQOSA-N 410.927 1.698 30 10 HDEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 731213754 QQJIASKCRDBQCH-QGZVFWFLSA-N 420.535 1.074 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1 742397177 MBHVGSGVYKYFCZ-UHFFFAOYSA-N 422.532 1.847 30 10 HDEE C[C@@H](CC(=O)Nc1cccc(-c2nc[nH]n2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742672769 KDNLFLXITULHKN-LBPRGKRZSA-N 410.459 1.928 30 10 HDEE C[C@@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 746762465 YFQWXXNCPMFRFU-SGRLSNSRSA-N 411.506 1.819 30 10 HDEE COc1ccc(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)cc1C#N 747443907 MEUKUKQGSDCWNF-UHFFFAOYSA-N 407.474 1.707 30 10 HDEE C#CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)[C@H]1CCS(=O)(=O)C1 749285082 ZPWZQTFSCDENLA-IBGZPJMESA-N 400.500 1.931 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NOCc3ccc(F)cc3)CC2)cc1 754344994 VAXIALIHTOTYGK-UHFFFAOYSA-N 418.450 1.845 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCSC[C@@H]2c2cnn(CC)c2)cc1 763659566 IHDIFYRUXLNSHT-GOSISDBHSA-N 418.544 1.745 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 763927613 LBHMCCGRFBRJIW-UHFFFAOYSA-N 423.332 1.945 30 10 HDEE NC(=NOCC(=O)N1CCOC[C@@H]1C1CC1)c1ccc(OCc2cccnc2)cc1 765531849 SCMFYIKKBIDVNO-HXUWFJFHSA-N 410.474 1.935 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(Cc2ccccc2)C1 780206118 QEWOXZSEPVDQCX-NDXORKPFSA-N 407.470 1.914 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780286263 ASILMEUOSDZZNJ-KKSFZXQISA-N 406.527 1.080 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cc1 780905016 VMATVYDBACRVRB-QFIPXVFZSA-N 422.485 1.569 30 10 HDEE C=CCN(C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 782457082 CEACDPHMUXSYAV-AWEZNQCLSA-N 402.513 1.214 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(Oc3cnccn3)CC2)[C@H](C#N)C1 787312870 AZVSEQVZJCEOOZ-GDBMZVCRSA-N 416.482 1.788 30 10 HDEE C#CCN(C(=O)Nc1cc(C(C)C)nn1-c1ncccn1)[C@H]1CCS(=O)(=O)C1 789261697 NKEGWEBWWDBSQQ-AWEZNQCLSA-N 402.480 1.440 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)cc(C)n1 789969304 YXUWZVJCTWNIFX-UHFFFAOYSA-N 401.496 1.877 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790655714 MMGLTRXTWYSBQH-KKSFZXQISA-N 417.510 1.987 30 10 HDEE N#Cc1ccc(COC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1F 791402744 WUBKBPHWSXRADN-QGZVFWFLSA-N 409.373 1.671 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N(CC)C[C@H](C)C#N)[C@@H]1c1cncn1C 796083975 HSCIPKUZRHOYRG-JXXFODFXSA-N 417.510 1.661 30 10 HDEE C=CC[C@H](CO)NC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 802464708 ADQKIVNYBRKBNJ-ZIAGYGMSSA-N 424.464 1.706 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3COCCO3)n2Cc2cccs2)CCN1C1CC1 802698694 RMLXXMQEVCVWJO-DOTOQJQBSA-N 400.508 1.652 30 10 HDEE C#CCn1ccc(CN(CCOC)c2cc(S(=O)(=O)N3CCCC3)ccn2)n1 804675663 VATSXUYNUYHEQA-UHFFFAOYSA-N 403.508 1.349 30 10 HDEE COC(=O)CCCONC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 808820138 VSTLIWJXXUFAKH-HMMYKYKNSA-N 412.468 1.506 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812056717 SZZPOEYJKPZBJT-GOSISDBHSA-N 402.520 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/C[C@H](CO)Cc3ccc(F)c(F)c3)NC[C@H]2C1 849092818 HYIJLUQLRSDDRI-CVEARBPZSA-N 424.492 1.996 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H](c2cnn(C)c2)C1 849584955 ZPRPHKUKQFPWEL-PWRODBHTSA-N 420.517 1.244 30 10 HDEE N#C[C@@H](C(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1)c1nc(O)c2ccccc2n1 919804413 QJHKQSBNLDXSBF-WBVHZDCISA-N 423.473 1.082 30 10 HDEE C#Cc1cccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c1 1129714682 JWHMFSXNXDOCFL-UHFFFAOYSA-N 402.447 1.758 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136355419 VGQNDMGSBCFGOD-LSDHHAIUSA-N 400.541 1.965 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)C(=O)OC(C)(C)C 1136726518 BTPTZKCTEZGJRL-OAHLLOKOSA-N 400.479 1.351 30 10 HDEE C#CCN(CC(=O)N[C@@H](Cc1ccccc1)CN1CCOCC1)C(=O)OC(C)(C)C 1136887286 PLTSXTGVKONNLL-FQEVSTJZSA-N 415.534 1.916 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/CN2CCOCC2)cc1 1141821241 NJHONEXZVBHDSG-RXTOKUOUSA-N 406.508 1.326 30 10 HDEE C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1143645024 UQPHJGFJDVKDQI-ZDUSSCGKSA-N 409.508 1.599 30 10 HDEE C=CC1(CC(=O)NCc2cn(C(C)C)c(=O)nc2O)CN(C(=O)OC(C)(C)C)C1 1153019460 JEHTZHZLVRZCNM-UHFFFAOYSA-N 406.483 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)NCc2ccc(C(=O)NO)cc2)CC1 1155854095 YZVRHFYSBFFNPO-UHFFFAOYSA-N 407.467 1.574 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)cc2n1 1156690535 OLQKOPQTHLKFLK-IBGZPJMESA-N 423.448 1.903 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4nc[nH]n4)CC3)C2=O)cc1 1167466673 YBFDGHKEMXSBJS-INIZCTEOSA-N 407.434 1.288 30 10 HDEE CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)CS(N)(=O)=O 1171675721 NTIWPAVMHSRULM-UHFFFAOYSA-N 404.286 1.130 30 10 HDEE COC(=O)[C@@](C)(CCF)NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1171955090 XJSIWHGZZDMCMC-YLJYHZDGSA-N 408.449 1.415 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](CO)C1 1190946064 VFSQIWRTNUDFGW-ZDUSSCGKSA-N 415.899 1.814 30 10 HDEE Cc1ccc(-c2csc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1 1198071919 MHAINPFCCVNOSY-KXBFYZLASA-N 416.528 1.927 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccnn3C)C2)cc1 1198250827 IQUYJFGECNHJSH-GOSISDBHSA-N 419.507 1.832 30 10 HDEE Cc1c(S(=O)(=O)NC2CCN(CC(=O)N(C)C)CC2)sc2ccc(C#N)cc12 1209265564 HMPMBURZAKDEEM-UHFFFAOYSA-N 420.560 1.912 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1213137761 GKGJKGDDPXYWNF-DGCLKSJQSA-N 400.840 1.327 30 10 HDEE C#CC[C@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1225797278 MDZKEIXFMKBDHQ-CZUORRHYSA-N 408.296 1.936 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H]3C[C@@H](C(=O)OC(C)(C)C)C3)CC2)c1C#N 1235011780 RZHLWNGCVOQEDC-GASCZTMLSA-N 402.499 1.552 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)N(CC)CC(F)(F)F)C2)C1 1248676777 ROWYUMTYRDHPSV-HZPDHXFCSA-N 402.461 1.916 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 1248730773 NEOMZCVXRPMEIZ-UHFFFAOYSA-N 419.551 1.200 30 10 HDEE CC(C)(CNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)[C@]1(O)CCOC1 1252508184 PNYXTNNVPWEYPN-QFIPXVFZSA-N 400.523 1.999 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1286299125 SJBBYQAPNXKKRZ-DOTOQJQBSA-N 418.567 1.991 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286335662 SADCJBOLEXPSEH-OXQOHEQNSA-N 403.483 1.375 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1286394291 NRRNXUIALWGVEB-MAUKXSAKSA-N 420.510 1.670 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1286599943 FLSQOWOYMCQHCA-UHFFFAOYSA-N 418.542 1.265 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1286745095 BIBGKBYQCJNXRQ-QGZVFWFLSA-N 417.535 1.857 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1286788728 DRVFTENPHITNHN-HNNXBMFYSA-N 400.458 1.012 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1292791904 FGTWGRQEGPCVDV-UHFFFAOYSA-N 424.486 1.206 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H](C#N)c2ccc(Cl)cc2)cc1 1292881689 TXJZJLNPWOYKEL-SJCJKPOMSA-N 407.879 1.994 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1297511885 HHHAXEHWYHJCCG-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1300365374 VKMXQGAFVBCKSI-IRXDYDNUSA-N 417.539 1.417 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1300424363 FHZYTNGCHZJNCG-NQIIRXRSSA-N 414.510 1.655 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300489584 PMMVPRPVBDEKDB-ROUUACIJSA-N 402.520 1.997 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1300495082 CMDGLTWPRNPJBA-QZTJIDSGSA-N 404.536 1.908 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(C)(C)COC 1300538721 UUIACGFDRLHFGY-QGZVFWFLSA-N 406.552 1.706 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCn1cc(Br)cn1 1300553734 QPPNBFBUQDNSLN-OAHLLOKOSA-N 403.284 1.862 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1 1300807806 QQYVXAYAWUKIPR-HSZRJFAPSA-N 421.549 1.420 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1300862737 DDBYGVKXPNELEE-FQUUOJAGSA-N 415.288 1.472 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@@H]1CC 1301150927 DRIHHHRUBSDONO-GJZGRUSLSA-N 409.556 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301483460 PAJQKFLJRPYSOZ-MRXNPFEDSA-N 412.494 1.218 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301491748 XQCNRANWQRCCSE-INIZCTEOSA-N 401.515 1.765 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1301502780 PGIIBAXVFIOTOO-QGZVFWFLSA-N 404.559 1.327 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1304846899 FXTZWMJHDNEWDR-VGSWGCGISA-N 410.522 1.710 30 10 HDEE Cc1nnc(COCC(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)s1 1306833353 CTBOEVRESFJDJO-UHFFFAOYSA-N 412.269 1.546 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 1310287456 KJVXQTVGSCMIRN-INIZCTEOSA-N 405.524 1.430 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 1312937756 SHDBSHJRJNDFPH-ZBFHGGJFSA-N 415.309 1.626 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1313096859 GGOBPHDIPCIZGD-SFHVURJKSA-N 407.536 1.693 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1315693818 DFFPQAOPBQKFCJ-QGZVFWFLSA-N 418.523 1.323 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCCCO1 1316296729 CHUYSRDWFLYEIA-MLHJIOFPSA-N 405.499 1.690 30 10 HDEE C#CCC1(C(=O)N(C)CCOCCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCCC1 1336629346 UWANLSUCNUPVTO-RMMWZPCPSA-N 402.535 1.975 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 1358211412 QPJBZSKPAUETFL-UHFFFAOYSA-N 402.495 1.343 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1358911011 IOCVEYTYHRLCFO-HRAATJIYSA-N 401.511 1.807 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1358946184 LZOUDRXRQZLDTE-LJQANCHMSA-N 402.524 1.469 30 10 HDEE C#CCN(CC#C)c1nnc(CC)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1358979402 LIDHKLYORDPIKW-SQNIBIBYSA-N 413.522 1.938 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)CC1CC1 1358996125 STBVHUNDQXBTFC-UHFFFAOYSA-N 411.531 1.552 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359056243 BBSBLYPAQRANSL-IPMKNSEASA-N 419.595 1.695 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)N2CCOCC2)C1 1359319247 WANJUMLESDNOMS-FUHWJXTLSA-N 401.515 1.181 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1436899460 DXCXCJJBUYVIFW-SFHVURJKSA-N 416.453 1.194 30 10 HDEE COC1CC(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1437619193 ICLSBQSPKZJUMG-UHFFFAOYSA-N 405.520 1.890 30 10 HDEE C=C(C)Cn1c(SCC(=O)NN2C(=O)[C@H](C)N(C)C2=O)nnc1-c1ccco1 1453746459 FEOFLLMHVHQTCO-NSHDSACASA-N 404.452 1.520 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@@H](C)O)cc1 1455035643 BDPMAHKFEBVUHJ-WNYOCNMUSA-N 413.499 1.178 30 10 HDEE COC(=O)/C=C/[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1457274793 ASQXXXYPVRXZEG-VSZOKUSCSA-N 405.476 1.193 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(OC(F)(F)F)cc1 1458439423 LHRKMOHZRXNCOV-RYUDHWBXSA-N 410.312 1.280 30 10 HDEE COC(=O)C1CC2(C1)CN(CC(=O)NC1(C#N)CCC1)C[C@@H]2C(=O)OC(C)(C)C 1460753593 LSYFVXDOGWBJNG-RDYUPDBUSA-N 405.495 1.392 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC(=O)Nc2cc(Cl)ccc2C#N)cn1 1460780297 LFUGPHBXWUSLRP-KRWDZBQOSA-N 421.910 1.745 30 10 HDEE N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCSC1 1464724649 WWWGEKIPZXQDBC-ZDUSSCGKSA-N 409.411 1.379 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1468313167 WKVVZEUUXUOESG-UXHICEINSA-N 415.534 1.829 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1470104098 RCQIXZREKGBHIC-KURKYZTESA-N 403.479 1.838 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322282 CQTNOVXKQDFDFC-IRXDYDNUSA-N 409.527 1.866 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1471536481 XHYUZXVCKPQHSX-CQSZACIVSA-N 402.538 1.198 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCCN1C(=O)c1ccc(O)nn1)C2 1472224749 QLAZYSPELWMFNV-CQSZACIVSA-N 412.475 1.277 30 10 HDEE C#CCN(CC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C(C)(C)C 1473808195 ADOQTZBHFROWOD-FOWTUZBSSA-N 400.504 1.968 30 10 HDEE COC(=O)[C@H](c1cccc(Br)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473851207 ZIPZQMNVPROWCI-DUVNUKRYSA-N 413.293 1.533 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 1478420120 NJPYJSBNZJPJNE-AWEZNQCLSA-N 413.459 1.796 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC3CCN(c4cccnn4)CC3)C2)nc1 1478432825 DRTPKHITIVHMJQ-SFHVURJKSA-N 406.494 1.998 30 10 HDEE C#C[C@H](NC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)c1ccc(Br)cc1 1478896655 QAIDLFWCQZNPKI-ZOWXZIJZSA-N 424.295 1.879 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)nc1 1479069009 MNTQEBUCOCQJGQ-HXUWFJFHSA-N 421.505 1.081 30 10 HDEE Cc1nnc(N2CCN(CC(=O)Nc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1492919957 YXNHRBPROIHKNZ-UHFFFAOYSA-N 405.462 1.860 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](OC)C1)OC 1504592756 AXLXUOPQXYMNBO-QZTJIDSGSA-N 401.467 1.615 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1507600017 ANYUOINZXYPJPH-AWEZNQCLSA-N 406.512 1.188 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507635240 QMTVIQIWBUIVRX-HNNXBMFYSA-N 405.549 1.671 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(-n2cncn2)nc1 1507678430 XMZOQWHFGJORAQ-UHFFFAOYSA-N 421.509 1.680 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507755603 VNFUKIWRIGYZGZ-IAGOWNOFSA-N 420.583 1.143 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn3ccccc23)CC1 1507879135 CZTFUJPLYRXYFJ-HNNXBMFYSA-N 415.523 1.741 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1507975684 TZULZINIXUOZTR-UHFFFAOYSA-N 413.478 1.587 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1507985421 CKXVQHZBKDXGDT-UHFFFAOYSA-N 404.496 1.734 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 1508130524 IMTMBKHOHFFKBQ-YHUYYLMFSA-N 407.540 1.252 30 10 HDEE Cc1nc(CCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCO[C@H](C#N)C2)n[nH]1 1511571594 APRHYPKKRVJZFC-BFYDXBDKSA-N 414.514 1.595 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn3c(n2)COCC3)c1 1516183593 FKOBJXQPMRMKTF-PGMHBOJBSA-N 403.464 1.478 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2csc(CC)n2)CCOC1 1516234496 YHNGUJMHXFCEEE-BEFAXECRSA-N 418.523 1.726 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1519386042 UTRXFJJKGRFSRO-QGZVFWFLSA-N 422.493 1.483 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2cn3c(n2)C[C@H](OC)CC3)cc(OC)c1OC 1521185176 HFDMWBLIGWAPSZ-KGLIPLIRSA-N 400.435 1.865 30 10 HDEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)cc1 1526404819 RNKJPRLAQBZNFS-UHFFFAOYSA-N 414.483 1.627 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1535722832 ZNBHTMFTGFNRFL-DLBZAZTESA-N 403.504 1.456 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 1535780037 CCEYILFIQPCNHH-KRWDZBQOSA-N 407.492 1.144 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N(C)C)CCSC1 1539038581 RWIJPBRWCJFNQT-OGNFBWPZSA-N 407.584 1.897 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539071743 DEZTZZRFUHSJPL-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1539219939 OQOQQGPIKLPLIQ-GOSISDBHSA-N 418.567 1.768 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539223237 ZRFSZJFLUPAIBN-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1539358991 VURKFJWHNHMCMC-UHFFFAOYSA-N 410.503 1.756 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1539514386 YVIHHITXIDCBHU-INIZCTEOSA-N 410.551 1.848 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1539517010 GYPZDNCLTSKOLV-JKSUJKDBSA-N 412.581 1.409 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1c[nH]nc1C 1539538355 GHIZRBZJVAYSAW-DNVCBOLYSA-N 419.555 1.545 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1540606442 UEBVCGIGKFTQIL-UHFFFAOYSA-N 408.476 1.232 30 10 HDEE CO[C@@H](Cc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728295 BTIQUJKRZDBPDJ-FQEVSTJZSA-N 413.499 1.649 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CC(F)F)CC1 1540872059 AVAGMQNOCBKIIU-UHFFFAOYSA-N 418.492 1.867 30 10 HDEE Cc1c(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)cnn1CCC#N 1542701347 WDVDOCBHYGPCBK-UHFFFAOYSA-N 414.897 1.837 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@@H]1C 1554558842 QJQBXQZMGFFFKQ-AWEZNQCLSA-N 421.465 1.270 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)F 1555624972 AOBYIQYOCFULOR-GFCCVEGCSA-N 400.430 1.123 30 10 HDEE C[C@@H]1C[C@H]1c1noc(CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)n1 1557378843 QLPNRYRYPLYAAE-IUODEOHRSA-N 412.450 1.198 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1557939296 YXFAVMQYJLNLNJ-CYBMUJFWSA-N 419.297 1.351 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)c1 1560098622 MLVVISDPORTQEP-DEOSSOPVSA-N 418.497 1.678 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@@H](CO)Cc1cccnc1 1561702792 FFUKCDOEMMAUSA-ZDUSSCGKSA-N 410.293 1.845 30 10 HDEE C=C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 1561776498 ZMENTOGTFGISNI-QLFBSQMISA-N 402.538 1.178 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1563679828 XBZRQUVZLZRQPZ-OTWHNJEPSA-N 417.506 1.751 30 10 HDEE COC(OC)[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1565248353 RLHUGAKFYUEZMW-CQSZACIVSA-N 400.483 1.874 30 10 HDEE C=CCN(C(=O)c1cnc(I)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1583031787 QHNFCVPTPHRAJC-SNVBAGLBSA-N 422.244 1.207 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587593024 HKRVISQFHUOUKX-ZIAGYGMSSA-N 422.942 1.733 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)OCCc2sccc21 1587909187 FZEBQLNESYLGGL-SCLBCKFNSA-N 423.564 1.507 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(N)=O)C1 1589134114 FFXHPOGQTLLVIA-PMPSAXMXSA-N 407.540 1.070 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CC)C[C@H]1COc2ccccc2O1 1595760526 OSRJHWYJYSXOTK-INIZCTEOSA-N 406.508 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1595777863 SBIICJFPBFWZGG-HDICACEKSA-N 420.535 1.704 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)F)CC1 1595784069 BGQHPWWFTYBGLU-UHFFFAOYSA-N 414.482 1.261 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1595879555 XQHKHYJPGJPRDX-INIZCTEOSA-N 409.556 1.734 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@]3(O)CCN(Cc4ccccc4)C3)C2)nc1 1596977951 KPTKLFAYHNQWOW-REWPJTCUSA-N 405.502 1.993 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(S[C@H]4CCOC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1598567299 IMARYIFEUILMDC-DHSIGJKJSA-N 406.485 1.105 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC3(C#N)CCOCC3)C2)cc1 1607179685 ABNJSMFHULVJJD-KRWDZBQOSA-N 405.520 1.832 30 10 HDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1607435485 QRUIVNRUCWKKID-QGZVFWFLSA-N 409.494 1.941 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2n[nH]c(C)c2-c2ccc3c(c2)OCO3)C1=O 1608326328 NRCBVMNPHWLSCB-UHFFFAOYSA-N 411.374 1.029 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC)c1ccc(F)c(C)c1)c1cc[nH]n1 1611101956 GLOUWLZHUUXMGD-INIZCTEOSA-N 420.397 1.172 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1611429198 ZHWXJYWSHJTWOK-UHFFFAOYSA-N 403.479 1.905 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)C1=O 1618022748 WNXCMILVXHQYPO-HOTGVXAUSA-N 407.511 1.648 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1619904094 ACYCLWRKQAJPOI-HUUCEWRRSA-N 423.535 1.177 30 10 HDEE COCCOCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1620081864 OOBNHGIYVKIPIZ-UHFFFAOYSA-N 400.483 1.774 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CCO1 1620356504 ZVRZFENXHASGRC-FUHWJXTLSA-N 410.478 1.930 30 10 HDEE Cn1nc2c(c1C(=O)N[C@@H](C#N)c1ccc(Br)cc1)CS(=O)(=O)CC2 1624138178 ZLMXVMIFZHJSMU-AWEZNQCLSA-N 423.292 1.648 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-c2cnc[nH]2)cc1 1627549537 OUAZYYYKSVTYFN-CQSZACIVSA-N 409.471 1.932 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 1628380985 RDRIDGPMXKEYGC-NSHDSACASA-N 401.389 1.946 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1F 1628712743 FFXIIHQDEFIEGH-UHFFFAOYSA-N 422.507 1.806 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc3cc(OC)ccc3c2)CC1 1629188519 RDCDAKDYQKHKMD-UHFFFAOYSA-N 416.503 1.143 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(Br)CC3)C2=O)cc1 1629364097 GQEAPIAHYPKMSA-ZDUSSCGKSA-N 405.252 1.807 30 10 HDEE N#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1629571367 KTVUQGKRUPIHQK-AAEUAGOBSA-N 401.286 1.045 30 10 HDEE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1629625169 WXDGEQFPTYEKAL-SJLPKXTDSA-N 401.492 1.098 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2c(C)nn(C)c2N2CCC2)ccc1F 1630879325 BCRXDNFVFIYPDO-UHFFFAOYSA-N 407.471 1.794 30 10 HDEE Cc1csc(CNc2cccc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2)n1 1633550713 YLAWCVQDRYHVCT-UHFFFAOYSA-N 410.459 1.628 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1633679425 LWFILVCIZFXVAE-RFAUZJTJSA-N 415.443 1.242 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1635343167 NMZURLQXNWMREJ-LSDHHAIUSA-N 411.480 1.439 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(-c3ccccn3)n[nH]2)s1 1635528004 GMAOULBCHGWMIY-UHFFFAOYSA-N 418.504 1.251 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CC)C(=O)OC 1635630671 PFKDZRLTEGOEHU-CQSZACIVSA-N 400.435 1.632 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCCCC1 1636612911 JQGNXUMPZXGUKU-HNNXBMFYSA-N 416.950 1.741 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(CS(N)(=O)=O)CC2)cc1Br 1638295810 FIJDGDOGZSWQOK-UHFFFAOYSA-N 416.297 1.227 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(c2ccn(C)n2)CC1 1638636414 PWKJBDPTTTVYJF-CQSZACIVSA-N 401.492 1.365 30 10 HDEE COC(=O)N1CCC([C@H](C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1638946406 GNLUIPKFNQSZLL-LBPRGKRZSA-N 411.455 1.720 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1639636970 QUVMKPPHVTUIDJ-HXUWFJFHSA-N 413.499 1.138 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1640793473 BNIOFJWFGFKRPN-SFHVURJKSA-N 406.504 1.180 30 10 HDEE CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 1641072144 WUJIPMOLBFFUEL-UHFFFAOYSA-N 423.498 1.740 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCCCCC1 1641730211 DYVMLUZHZLONLC-KRWDZBQOSA-N 408.543 1.402 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1n[nH]c2cc(C#N)c(C)cc12 1644425582 COIDJGYEPPGPEA-MRXNPFEDSA-N 401.434 1.970 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)Cc1ccc(F)cc1 1644836057 MPFBSSKDVBPVRB-GUYCJALGSA-N 405.451 1.084 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1645432916 RSBRWTOJRCXDLO-LRAJWGHMSA-N 424.494 1.801 30 10 HDEE COc1cc(CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc(OC)c1 1652673678 UHOLJMKKIKWICT-IBGZPJMESA-N 403.523 1.893 30 10 HDEE N#Cc1ccccc1OCC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1653357220 HJXUMIXTSNCJQA-ZDUSSCGKSA-N 401.220 1.774 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)ccc3scnc23)CC1 1655706785 GDPRBBUZUDUFNU-UHFFFAOYSA-N 412.924 1.005 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H](CN3CCCC3=O)C2)cc1 1658320242 IADSMJFSMCSVKD-MRXNPFEDSA-N 420.535 1.969 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1665330017 UWYHAJRRTXXACB-GFCCVEGCSA-N 404.282 1.942 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CCOCC1 1666221966 OJIRDCCPIATJOC-UHFFFAOYSA-N 415.533 1.351 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)CC1 1668488048 BPGOQSBPLNALHU-BGYRXZFFSA-N 410.518 1.854 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C1CCOCC1 1670502465 OEQGPSBFEJJDEN-CYBMUJFWSA-N 407.414 1.024 30 10 HDEE C#CCN(C(=O)N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1673905242 OJIQQXIDIHYAFF-ILXRZTDVSA-N 401.529 1.510 30 10 HDEE C=CCn1cc(CNC(=O)N(C)CCCOc2ccc(S(C)(=O)=O)cc2)nn1 1683483411 ZFJHAVRLDCUMHQ-UHFFFAOYSA-N 407.496 1.478 30 10 HDEE N#Cc1cn(CCNC(=O)NC[C@@H](Cc2ccccc2)c2ccccn2)c(=O)nc1O 1685791405 BTOFPDCHWNNEOS-QGZVFWFLSA-N 418.457 1.541 30 10 HDEE CC(=O)Nc1ccc(OC[C@@H](O)CN(C(=O)NCC#CCN(C)C)C(C)C)cc1 1685830171 RPIRKTKRJJYMLD-IBGZPJMESA-N 404.511 1.370 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1689835147 GWDLEQOFKWOVCQ-QRWLVFNGSA-N 418.519 1.612 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1689873375 GGWUAOYJZFASDS-UHFFFAOYSA-N 412.538 1.909 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689930303 OZQIZUQMLDEMGU-INIZCTEOSA-N 409.556 1.446 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1689964290 KKKKUQWEAFUWRX-FQEVSTJZSA-N 423.565 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1cccn1 1690046159 ZBJVLHUMRUUCMY-LJQANCHMSA-N 413.485 1.926 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)C1 1690236883 SIDNNPNVNSSOCB-WMLDXEAASA-N 404.515 1.114 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1690311385 JFKCOMXYJSBLMI-WIYYLYMNSA-N 405.543 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1690664214 LIJICQNUELKGEL-HNNXBMFYSA-N 421.523 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1690669150 VTORVBFHIBISAJ-KRWDZBQOSA-N 421.505 1.983 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690672794 DDSMZTVNYQHXHL-MJGOQNOKSA-N 422.533 1.442 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690749519 GQIRCADJPMAHEZ-IBGZPJMESA-N 420.539 1.351 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C[C@@H]1C 1695875158 KTPACHOMZSDJMI-FFZOFVMBSA-N 410.522 1.887 30 10 HDEE CCOCc1nnc(N2CCC(C)(C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696276827 YLQJHOCRKHAWQS-ISLYRVAYSA-N 402.499 1.967 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O)[C@H]1CCSC1 1696630621 GSQNHBCFZYRDGG-HNNXBMFYSA-N 406.537 1.308 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1697778023 VFKJSARITCJICV-HOTGVXAUSA-N 407.471 1.425 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705569021 CDOMSMBDIQECAV-CQSZACIVSA-N 413.425 1.453 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1OCCC1(C)C 1705576593 NOAIKJBWHGWJBW-IBGZPJMESA-N 416.489 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(O)c2)CC1 1705649147 MGKPGFQQOBGFOE-UHFFFAOYSA-N 404.474 1.993 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1705693801 KPKWVDADMBYPNX-BBWFWOEESA-N 417.510 1.495 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705738059 JJWPAFPTXQJAKF-QZTJIDSGSA-N 404.559 1.912 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705819595 PKQKZUBNMBWPEG-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1705830328 MUUSDJHJWSNYGR-LPHOPBHVSA-N 410.540 1.390 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCCn1cnnn1 1705860612 UGYWNXZJYYTXPG-LJQANCHMSA-N 419.493 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1705898218 FNJJBTSNPMNGPY-QGZVFWFLSA-N 422.493 1.726 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@H]1C 1705936616 VBJIGQJTFNIOLU-RBSFLKMASA-N 416.569 1.016 30 10 HDEE CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1709982030 PPPWTGVCRRRTPU-UFOSLELVSA-N 415.498 1.238 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(O)CCO[C@@H]1C 1712634255 ATNLRUBDOHANCS-JJDSTIRJSA-N 419.526 1.672 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCCn2cnnn2)c1 1722304763 GDQMVMPUEVKBLL-UHFFFAOYSA-N 421.509 1.709 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722429039 MLZXOXZRJUMUPO-OALUTQOASA-N 423.517 1.921 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOCC(=C)C)CC1 1722446317 RORRKLGENQCNEJ-UHFFFAOYSA-N 411.510 1.237 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1722456526 WJOLEJRNXDUXIQ-UHFFFAOYSA-N 409.519 1.645 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1722459717 PPDVGHPSBRYSMW-CABCVRRESA-N 412.581 1.550 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722502813 ASSZASRBTFEZME-IRXDYDNUSA-N 409.556 1.608 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722521941 HGZMEQFRFBFHTQ-UHFFFAOYSA-N 405.528 1.562 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722549401 MOGJMSYSRLNAIB-OAHLLOKOSA-N 415.885 1.859 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1722669120 NAMAYVGGUZILDT-HTXNQAPBSA-N 406.450 1.440 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1722723939 JLFDCLYXCMUSJI-UHFFFAOYSA-N 421.523 1.488 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc2c(c1)COC2 1723910259 DGYRECBLRXAUJE-ZIAGYGMSSA-N 418.523 1.705 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1730639379 XTCDIAPYXWIAKO-QKLQHJQFSA-N 404.515 1.094 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCC1 1730871727 WLXGBXBVWUAENZ-SJLPKXTDSA-N 418.542 1.484 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](F)COC 1740540331 YSIJCEYIOJRMTR-DZGCQCFKSA-N 422.530 1.989 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(CC)CC 1740609863 PFFGKBFXIIZKRU-SJORKVTESA-N 419.551 1.926 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1740621572 NQWMHENXQCOLAN-CQSZACIVSA-N 409.462 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCOCC1 1740634359 LMGDWOCOBQTAEI-UHFFFAOYSA-N 421.501 1.859 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC(N)=O 1740782963 ZMYCZKVOXFPFOA-HUUCEWRRSA-N 422.530 1.863 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1740880864 PPZRSQRSWAVVAB-INIZCTEOSA-N 405.499 1.496 30 10 HDEE CCc1nc(CCn2c(CC)nnc2N2CCN(c3ncccc3C#N)CC2)no1 1744479390 HMWPGYDIFNTDLU-UHFFFAOYSA-N 407.482 1.622 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCC)[C@H]1CCS(=O)(=O)C1 1748824090 IPVRBWIFHOBNTP-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C(N)=O)nc1 1748918670 MWGHOLQNNPXQOK-UHFFFAOYSA-N 404.430 1.676 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748920947 VNHCAMYLCHAVLH-GOSISDBHSA-N 412.542 1.081 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1748986933 MTYHRYPOACUCRU-JOCHJYFZSA-N 421.505 1.608 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCCCC2)CC1 1748991487 YPCIIZMMPVQQBD-GOSISDBHSA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1749001200 LNZBLYPEAHEXQB-RTBURBONSA-N 400.527 1.143 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN(C)CC(F)(F)F 1749073039 DGSJKBOCXCXXNE-GOSISDBHSA-N 412.460 1.887 30 10 HDEE C=CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749466532 SZAFWKWXWJZTKV-FQEVSTJZSA-N 416.547 1.920 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3cccc(C)c3)n2CCS(C)(=O)=O)C1 1749717275 ILJVAONHHKWTDA-GOSISDBHSA-N 420.535 1.991 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCC1CC1 1750965971 FGUCTZIHOGFCOL-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760135170 LJKSVRIAGFBBPP-MRXNPFEDSA-N 408.466 1.011 30 10 HDEE C#CCCCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1760142947 RRSLAEAWFMFGDL-UTKZUKDTSA-N 403.527 1.791 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCSC2)CC1 1760268027 AQVPKTUVJQZNOQ-OAHLLOKOSA-N 411.535 1.454 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760336282 WWHYETKHTBCMHL-AEFFLSMTSA-N 423.583 1.997 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCSC)CC1 1760389494 LTUYCVJRIXCICL-OAHLLOKOSA-N 415.585 1.521 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@@H](CN(CC)CC(F)(F)F)C1 1760525279 ZYZDVVINYRILQH-AWEZNQCLSA-N 402.465 1.853 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1760541662 GAUMVWWLRSIJMP-SJORKVTESA-N 412.494 1.496 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1760617952 BRRWUTAZMYOPNA-IBGZPJMESA-N 424.505 1.824 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)C1 1761131009 AXZNCOYIRAJZPT-MSOLQXFVSA-N 415.542 1.326 30 10 HDEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CC#N 1761261274 AXBKFVARTZRLSZ-ZDUSSCGKSA-N 403.512 1.533 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1761367209 DLOQBLIVXZNAAI-HNNXBMFYSA-N 423.521 1.823 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1771273699 ZGXYQHXQSBXUNS-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)c1 1848857496 PTFYONGWXYTZBG-UHFFFAOYSA-N 403.442 1.981 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1C(=O)CN(C)C(=O)[C@H]1c1cccc(F)c1 1851338434 GFLRKANSOLAFKY-LJQANCHMSA-N 411.389 1.653 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 1853276062 RGHWLZCNUFFIHE-UHFFFAOYSA-N 404.474 1.962 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2nnc([C@H]3CCOC3)o2)cc1 1853322078 FXVHRIHPLASPTL-HKUYNNGSSA-N 414.462 1.742 30 10 HDEE C=CCC1(S(=O)(=O)NC(CN2CCSCC2)=NOCc2ccccn2)CC1 1853530083 MLCWOYWWTQKTJM-UHFFFAOYSA-N 410.565 1.989 30 10 HDEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccccc3Cl)C2)ccn1 1853614232 FWAPKPYGFPMHOI-OAHLLOKOSA-N 407.835 1.909 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1853789755 NNNDTPRCCBDUCZ-MJGOQNOKSA-N 400.523 1.921 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(Cc4cccnc4)CC3)C2=O)cc1 1854079132 YEQPHCOPYJIMDR-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1854255609 FPMDYSOPHZPXMO-PKOBYXMFSA-N 402.539 1.099 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)CCC1=O 1854357516 ZHTVURWVQUJGFF-CRAIPNDOSA-N 421.494 1.666 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COc1ccccc1 1855968488 JHQNQHAGDCJAKZ-UHFFFAOYSA-N 413.455 1.715 30 10 HDEE C=CCCN1C[C@H](C)C(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1856034784 YPKZUJVEZUYEPR-INIZCTEOSA-N 423.535 1.486 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@@H](C)CCC#N)CC2=O)cc1 1856407204 ACYXLJKEHGBGBV-HNNXBMFYSA-N 407.492 1.222 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)C1 1856550436 QCHPMXKBDNKWPR-HOTGVXAUSA-N 402.495 1.606 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)C1 1857232250 RDPKJBVNPLCBOY-DOTOQJQBSA-N 416.522 1.854 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](n4cnc5c4CCCC5)C3)C2=O)ccn1 1857375274 VJQSJDWSYUXJKD-FXAWDEMLSA-N 404.474 1.717 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CSc2ncccn2)cc1=O 1870302522 SLEJMGGKVIHQAR-UHFFFAOYSA-N 416.484 1.638 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871645537 QCMWWCWDSBZWGI-UHFFFAOYSA-N 412.498 1.828 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)CC1=O 1873015422 UQLSMDSGJHUBRJ-QGZVFWFLSA-N 417.506 1.391 30 10 HDEE O=c1c(Br)c(N/N=C/c2ccncc2)cnn1[C@H]1CCS(=O)(=O)C1 1873526854 ADJKPJYIOKGZOK-MIUNIBSDSA-N 412.269 1.206 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@@H](OCCNC(=O)OC(C)(C)C)C1 1982298689 ZGAGTPWKWVJNBT-GFCCVEGCSA-N 413.334 1.840 30 10 HDEE COC1CN(S(=O)(=O)NCc2scc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2161946865 HOQJAXDLEBJYJN-UHFFFAOYSA-N 402.347 1.021 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174789011 LLZWXHCHKXNDDM-MRXNPFEDSA-N 400.545 1.635 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247817536 UJIGQHUVZOOACQ-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247828981 QLJCBXCAWKAHEW-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2247829929 NUTATOGGTREAEF-OLZOCXBDSA-N 423.319 1.402 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N(CC(N)=O)Cc3ccccc3)c(O)c2)OC1(C)C 2247985459 HUSXIVCLKXJLNW-UHFFFAOYSA-N 410.279 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)C2)C1 2248527384 ZCOWEQWWRBOLLZ-UHFFFAOYSA-N 421.347 1.841 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)c2)OC1(C)C 2255766521 DVZKXVUPAXJQCP-ZDUSSCGKSA-N 415.342 1.573 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3CS(=O)(=O)C3)sc2Cl)OC1(C)C 2267133078 YCSPMRAENYYAOE-UHFFFAOYSA-N 405.734 1.475 30 10 HDEE C[S@](=O)CC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267368373 IIQHMGJRHXMNJY-DEOSSOPVSA-N 405.372 1.046 30 10 HDEE Cn1nc(C(=O)NCC2SCCS2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267502056 IDBZCJPYKMUPMW-UHFFFAOYSA-N 403.766 1.909 30 10 HDEE CC1(C)OC[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)[C@H]1O 2281937101 VSZGZXORNOTUDR-GXFFZTMASA-N 401.721 1.969 30 10 HDEE Cn1nc(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281973783 UVNKSRLYSFKIQY-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCC[C@H]3S(C)(=O)=O)ns2)OC1(C)C 2282002880 VDJIDZNDQJVXQG-ZYHUDNBSSA-N 400.331 1.138 30 10 HDEE CO[C@@H]1C[C@H](CN)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282055328 CMDCKJBYTISJOH-GHMZBOCLSA-N 400.737 1.889 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](N)C(C)(C)C1 2282319874 AHEVJPYERBJEHV-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC(C)(C)C1 2282325411 DUYMYYJITMTLKR-LBPRGKRZSA-N 400.375 1.775 30 10 HDEE COC1(OC)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342491 IASXBIAKQMABHE-UHFFFAOYSA-N 403.331 1.431 30 10 HDEE CCCSC1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282348911 QZTGOXWYQAHGSA-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@]1(Cl)CC1(F)F 2282414379 RTHBAKJLQPKNKY-ZDUSSCGKSA-N 411.667 1.014 30 10 HDEE CCC[C@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282500580 ZAWNYLRQCGMUFD-LBPRGKRZSA-N 404.363 1.270 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](C)CCS(C)(=O)=O 2282579904 LNILTRQIARIPBB-NSHDSACASA-N 401.359 1.909 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC1(F)F 2282839456 DPFMVQCLIWQICS-UWVGGRQHSA-N 408.301 1.905 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CC1(F)F 2282839457 DPFMVQCLIWQICS-VHSXEESVSA-N 408.301 1.905 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3CCO)s2)OC1(C)C 2282853237 AAJZEFLKJKORHY-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870720 WTGNAOIHZPNUJF-YDBLSZJJSA-N 419.399 1.330 30 10 HDEE C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883221 XMDGGANRUOYDQE-STQMWFEESA-N 401.359 1.829 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2284398387 XJOXIXKHDJFHOS-WDEREUQCSA-N 401.315 1.389 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OCc2ccccc2)C1 2317414041 WBKBCBFJPMICDW-GNZRSQJKSA-N 408.520 1.221 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CCC1(C)C 2365173651 WQQQAXGLPDVWDX-IBGZPJMESA-N 401.525 1.923 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2365196451 MEKGRICOXKZVSF-OWCLPIDISA-N 402.557 1.721 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367791213 YAFGSQZDPGRSQF-BEFAXECRSA-N 400.541 1.571 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1S(C)(=O)=O 63765588 DSPPIADLQRDOJR-UHFFFAOYSA-N 408.501 1.799 30 10 HDEE C=CCn1c(C)c(CC(=O)N2CCOCC2)c(=O)n2nc(-c3ccc(C)cc3)nc12 64813739 IFNYALIVPDIUOV-UHFFFAOYSA-N 407.474 1.762 30 10 HDEE CCOC(=O)N1CCC(N/C(N)=N/CC2(N3CCCCC3)CCN(C)CC2)CC1 304773167 BCNLLFFBHQFKMA-UHFFFAOYSA-N 408.591 1.462 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccccc1-n1cnc(C#N)n1 426813694 YSIMMFQAPLLIIO-LBPRGKRZSA-N 414.422 1.584 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 460541831 BDKVQAKWZGFROF-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461749122 SKUBAYIZIKLCEF-KRWDZBQOSA-N 414.433 1.366 30 10 HDEE Cc1[nH]c2ccnn2c(=O)c1CC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 479240887 HPEJOMOCYPGGIC-UHFFFAOYSA-N 404.474 1.548 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCN(CC#N)CC1 485888226 IKUHKXGFRDWIGW-UHFFFAOYSA-N 418.313 1.304 30 10 HDEE C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@]2(C)CCC[C@](C)(CC(=O)O)[C@@H]2[C@@H](O)[C@H]1OC=O 504309041 ADTJBXOQJVMRCY-BESTUJJFSA-N 420.458 1.025 30 10 HDEE biogenic N#Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1 504818817 JSHYYLSFFFWPMI-UHFFFAOYSA-N 410.455 1.100 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn3ccc(Br)cc3n2)CC1 505922613 JOHDQHUDJXWDBR-UHFFFAOYSA-N 406.284 1.157 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 508815520 BLXNACGUURCQOE-DLBZAZTESA-N 411.510 1.658 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 508922394 QETFJIMUAHBFOS-GOSISDBHSA-N 415.469 1.582 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nnc(-c3cc4ccccc4o3)o2)CC1 522366095 FKDWEGPWFDRSBN-UHFFFAOYSA-N 423.473 1.862 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 531281376 DMLZBPWNLFXBBI-KRWDZBQOSA-N 419.434 1.662 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cnn(C4CCOCC4)c3)CC2)n1 546889318 WRYNOQHIXWAUIC-UHFFFAOYSA-N 402.480 1.012 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 549256260 JMQJLRGBEWVNBE-KRWDZBQOSA-N 419.551 1.946 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccccc2)CC1 555185910 KKTRGZCDAVPULY-LJQANCHMSA-N 410.522 1.255 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2ccc(C#N)cc2)CC1 556033718 KYAJYQFCEJKRHB-GOSISDBHSA-N 418.497 1.957 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 559242336 OYFUWWJFGHPNPS-GOSISDBHSA-N 420.517 1.443 30 10 HDEE CC(C)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1 589157340 UZCLEOLMHATSHR-UHFFFAOYSA-N 409.511 1.391 30 10 HDEE C=CCc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 603504136 ACQRONDTINTUKH-QGZVFWFLSA-N 423.491 1.033 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(CCc3ccccc3)CC2)CC1 604168223 DCJMIRJPKJBELH-UHFFFAOYSA-N 413.566 1.323 30 10 HDEE N#Cc1ccc(NC(=S)N2CCN(CC(=O)N3CCOCC3)CC2)cc1Cl 726443539 QASWTPCTLWKVIP-UHFFFAOYSA-N 407.927 1.385 30 10 HDEE Cn1c(=C(C#N)C(=O)c2ccc(F)cc2)sc(=Cc2cnn3ccccc23)c1=O 729670517 VAFIBXPSCLQDOU-UHFFFAOYSA-N 404.426 1.620 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 729671151 PXKDCRPQWOVGJD-UHFFFAOYSA-N 419.510 1.305 30 10 HDEE COc1cc(Cl)c(C)cc1N1C(=O)C[C@H](N2CCN(C3CC3)[C@H](C#N)C2)C1=O 732668923 LIMZGSAZNDBUGW-PBHICJAKSA-N 402.882 1.961 30 10 HDEE CC(=O)[C@H]1CC(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)=NN1c1ccccc1 733676033 QWZFQJJCJROSQA-LJQANCHMSA-N 410.455 1.728 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)c(F)c3)c2=O)cn1 735068288 HKSVKHJFKANPBP-UHFFFAOYSA-N 409.446 1.680 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 750625347 YOZXWGSYNYOEMS-DDXODTPOSA-N 416.381 1.962 30 10 HDEE Cc1ccnc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)n1 754189186 DHFQJWPTPWZFDZ-QGZVFWFLSA-N 406.446 1.715 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)CC1 761684319 AVEUQVMLYGEBLK-HXUWFJFHSA-N 413.522 1.584 30 10 HDEE Cc1noc(C)c1CO[C@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 762548376 SUZMWXKXTHAVIO-AWEZNQCLSA-N 418.475 1.148 30 10 HDEE COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=NNC2=NC(=O)C(=O)N2)c1 765591701 RIEMMGYQCDFEST-UHFFFAOYSA-N 418.413 1.492 30 10 HDEE C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 771685061 JVFIIZCWXCBUAA-RDTXWAMCSA-N 413.499 1.966 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)C2CN(C(=O)c3cccc(Cl)c3)C2)CCN1C1CC1 781530044 QKOUTURSZZEKMY-INIZCTEOSA-N 408.911 1.166 30 10 HDEE COc1cc(C)c(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)c(C)n1 781594535 OAKQHKMXALCGMY-UHFFFAOYSA-N 418.523 1.484 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C 783617563 FGURWNCDAWAXTI-OLZOCXBDSA-N 410.492 1.629 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CC[C@@H]2CCOC2)C1=O 784124702 KPYBLWLJHHDQPM-IUODEOHRSA-N 404.492 1.280 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787249458 FLNJRNGCGNGIOR-UHFFFAOYSA-N 402.524 1.800 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@@H]1CCOC1 790361178 SPERJYXYSZDQBX-HNNXBMFYSA-N 403.467 1.159 30 10 HDEE C=CC[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCN1C(=O)OC(C)(C)C 790624419 BHMAWZWEKIZNNT-IIUXCQHESA-N 418.494 1.975 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCCN(c3cc(C#N)ccn3)C2)c1 791976218 GMBCBRWIHJSDNH-HNNXBMFYSA-N 417.491 1.794 30 10 HDEE CS(=O)(=O)NCC1CCN(CC(=O)[C@@H](C#N)c2nc3ccccc3s2)CC1 796259784 ZCJWUWDJJIVWGH-CQSZACIVSA-N 406.533 1.734 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCOC[C@H]2C[C@H](O)c2ccccc2)c(F)c1 804157990 JMUYLXGXSMLDBM-QUCCMNQESA-N 411.433 1.665 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cc1C#N 806215199 ZEFDYOAQHSPIFD-MRXNPFEDSA-N 410.405 1.244 30 10 HDEE C#CC[C@@]1(C(=O)OC[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 808596642 NJTMZBJOHVHLKW-KXBFYZLASA-N 414.524 1.604 30 10 HDEE N#Cc1ncccc1COC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 813163127 RAHMADRLMUYLER-UHFFFAOYSA-N 410.455 1.858 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918336550 YLWXCDMIMQZQHY-CQSZACIVSA-N 407.492 1.307 30 10 HDEE CC(=O)Nc1cccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)c1 1084224478 KVBGYEZBBIFLDG-UHFFFAOYSA-N 413.467 1.673 30 10 HDEE Cn1ccc(N2CCC[C@@H](NC(=O)Cc3ccc(Br)cc3C#N)C2=O)n1 1126465099 UYXPPKFYSBBMNB-OAHLLOKOSA-N 416.279 1.909 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)OCC 1132415382 RJIVZJFFMQUFSY-NSHDSACASA-N 404.828 1.802 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3c(F)cc(C#N)cc3F)C2=O)cc1 1140111156 OUSYXNKFNJUZME-IBGZPJMESA-N 400.341 1.957 30 10 HDEE Cc1cc(C(=O)N2CCOC[C@@H]2C#N)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1146516341 BLTPTBXFSBHGAU-INIZCTEOSA-N 402.476 1.165 30 10 HDEE CCn1c(=O)n(CC)c2nc(NC(=O)CCC(=O)N3CCO[C@@](C)(C#N)C3)ccc21 1161861260 UFHHKIZRWZXANK-FQEVSTJZSA-N 414.466 1.098 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 1165508113 KZYLUXAZWRTLMJ-UHFFFAOYSA-N 416.446 1.437 30 10 HDEE COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c2c(cc(C#N)c1=O)CCC2 1166891012 CHXMQVQJTPJZBC-IBGZPJMESA-N 418.453 1.590 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1177759011 JUADNKBHUUOTTP-HRAATJIYSA-N 404.511 1.746 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCN2CCNC2=O)n1 1178539484 LIIRCGQFWIQBHV-CQSZACIVSA-N 404.471 1.154 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OCC 1190404037 WNHBLCWWDJWOBI-LLVKDONJSA-N 411.448 1.859 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ncn(-c3ccccc3)n2)C1 1225935702 AQOYRHYQSJLJCK-ZBFHGGJFSA-N 411.466 1.826 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1253324968 JBUJFJGHMZGDLA-UHFFFAOYSA-N 417.363 1.481 30 10 HDEE Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1265833858 SFMAZNIUGMXXHE-CYBMUJFWSA-N 419.482 1.960 30 10 HDEE C#CCCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286359632 GBHXVTUTPSXTEO-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC(F)F 1286372102 MUGGUECTAJRFIF-CQSZACIVSA-N 405.405 1.957 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2ccn(C)n2)CC1 1286491400 QHEDWFIHUIMXEO-UHFFFAOYSA-N 418.505 1.012 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOC)CC1 1286495235 XMVMRDUAUXTMNK-UHFFFAOYSA-N 421.505 1.129 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(C(N)=O)CCOCC1 1286518096 BBOHCFPMUOCVCM-OXJNMPFZSA-N 419.526 1.276 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCOCC1 1286768641 AXJKIWKBCUWVSR-UHFFFAOYSA-N 404.515 1.320 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC2CC2)CC1 1286788208 RXRSXXCRGYWSPR-QGZVFWFLSA-N 403.527 1.870 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](c3nnc4n3CCC4)C2)nnc1C(C)(C)C 1286792785 HXLFDMVZFMQQRT-HNNXBMFYSA-N 412.542 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286819135 BHIRCVUNSAYSEW-HNNXBMFYSA-N 407.540 1.251 30 10 HDEE C#CC[C@H](COC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1287424161 SUFPWQPBJUPTMO-MJGOQNOKSA-N 406.504 1.587 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1288354294 IHDZMWFIMVJWHA-IIBYNOLFSA-N 417.462 1.476 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc3c(c2)OCCO3)s1 1290570779 JQTYQAQTEXLWFU-UHFFFAOYSA-N 422.528 1.885 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCN(C(N)=O)CC3)C2)C1 1292554057 DPJDYKKQEBHRSR-CHWWFWEZSA-N 405.499 1.386 30 10 HDEE Cc1cnn(-c2cc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c(N)cc2F)c1 1295048661 VKKNLFJRVJWACZ-AWEZNQCLSA-N 420.452 1.915 30 10 HDEE CCn1cnnc1Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1295976220 GPXZDNANLDANQX-ZMSDIMECSA-N 414.514 1.585 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1300489269 KZMZOGVGQFJLEO-SFHVURJKSA-N 402.520 1.734 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300505582 DEQZZAZFESYFLZ-FGTMMUONSA-N 421.567 1.097 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1300602454 FKDZGKXCDSZHFB-UGKGYDQZSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCOc2ncccc2F)CC1 1300703953 WWDZXPQYIGWFAL-UHFFFAOYSA-N 421.480 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC2(C)C)CC1 1300711407 ZTZNNLYYPNVZBN-INIZCTEOSA-N 400.527 1.428 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300843245 FHSGWQUDSNXXDC-CHWSQXEVSA-N 414.304 1.032 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1301506056 GBJSHBZLQZVVDX-HNNXBMFYSA-N 401.442 1.310 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)C1 1301557213 QCAXYOMTHUBBJT-HNNXBMFYSA-N 406.437 1.427 30 10 HDEE CC1=CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1304587825 FKFKTHXFZSQWCO-ZPHPHTNESA-N 408.466 1.361 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)cs1 1304665241 CNEFQBXCIMJKCU-FQEVSTJZSA-N 415.567 1.831 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1COCCO1 1305113998 AYIZQLGOPYRPAG-YJBOKZPZSA-N 410.478 1.289 30 10 HDEE CCc1noc(C)c1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1306231878 AQVLJEIQZUERML-HUUCEWRRSA-N 404.471 1.638 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCSCCCO)CCOC1 1314099851 DKKOWWYSRCUDNO-IBGZPJMESA-N 409.556 1.786 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1314951223 OPOHVLPQVTWOGU-SPLOXXLWSA-N 409.494 1.113 30 10 HDEE COc1ccc(C)cc1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1315373804 GEJDUMVMBKSTMO-KRWDZBQOSA-N 412.494 1.705 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1315496480 AOQDQRYQPIEKJZ-CVEARBPZSA-N 412.450 1.023 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cnn(CCC#N)c2C)CC1 1350381418 QEGVSZLYULMKKC-UHFFFAOYSA-N 418.498 1.352 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1358956763 KKMLMCHGKLMNOI-VKJFTORMSA-N 412.581 1.286 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358964937 KHEGNBVZIVLZDG-PXNSSMCTSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCO2 1358984013 FMOSNSDCPJAHNI-UHFFFAOYSA-N 405.458 1.754 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1358988342 LUKXDFASFVNZNG-UHFFFAOYSA-N 412.457 1.491 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC1(O)CC1 1358991943 UVBWXFYOVWLGCQ-UHFFFAOYSA-N 416.485 1.663 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCSC1 1358996151 UFMCBPJBJKRBEK-QFIPXVFZSA-N 420.542 1.848 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1359027951 BMDSDFNCFZQFOI-DYESRHJHSA-N 402.543 1.066 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1359048665 YNGOLNRDMRZBTD-UHFFFAOYSA-N 421.567 1.716 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1359062836 VECIINWAXBCNCV-XMSQKQJNSA-N 414.554 1.475 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1359158459 SFDCRIGXHSBWIQ-HNNXBMFYSA-N 409.556 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359295476 CLDCJZCTFHKXRT-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1cnn(C)c1C 1359333348 VEOSILVFTASAOC-OAHLLOKOSA-N 408.528 1.061 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)Nc2nc3n(c2C#N)CCS3)C1=O 1435092634 UVEKCTNZSLPRLQ-NSHDSACASA-N 405.480 1.379 30 10 HDEE C#CCN(CC(=O)NC1CCN(CC(=O)N(CC)CC)CC1)C(=O)OC(C)(C)C 1449152497 MYLMONRPZGFVPY-UHFFFAOYSA-N 408.543 1.306 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cc(C)c1O)C(=O)OC 1451183870 XEIAJKABDVZTGI-GOSISDBHSA-N 420.421 1.792 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@](C)(CO)Cc2ccc(Cl)cc2)CC1 1460859420 CZQCBHMIINTEHA-PZJWPPBQSA-N 406.958 1.915 30 10 HDEE Cn1nc2c(c1C(=O)N(CCC#N)c1ccc3c(c1)OCCO3)CS(=O)(=O)CC2 1464810318 XFXLHVYQVQEAJP-UHFFFAOYSA-N 416.459 1.223 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCN3CCSCC3)C2)C1 1465011163 UKZWRRWDLHRDBV-LFDOHDQPSA-N 408.568 1.938 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1467002911 RACNTVRAWIMPRL-MRXNPFEDSA-N 407.492 1.136 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@H](C)CCO)nnc12 1472592197 RMWGKUUGOWWYKN-CYBMUJFWSA-N 401.492 1.552 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C(=O)OC 1475578959 MRXPCGPUOBTQOL-MRXNPFEDSA-N 416.521 1.257 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)CCCOc2cccc(S(C)(=O)=O)c2)C1 1479315135 ZTOVMLYWYYBWLM-QGZVFWFLSA-N 407.536 1.598 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1503213844 NEODYVHUWCWZCN-SFHVURJKSA-N 412.494 1.870 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[C@@H]2CCOC2)cc1 1505319739 JGFVXVOCFRZNRI-QGZVFWFLSA-N 415.519 1.724 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507590163 WUBPPYMLNNXAQA-JOCHJYFZSA-N 405.506 1.892 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507622907 MWSNRPZCEQLLSY-GDBMZVCRSA-N 424.958 1.968 30 10 HDEE C#CCN(c1nnc(C)n1Cc1c(CC)nn(C)c1CC)[C@@H]1CCS(=O)(=O)C1 1507624605 CDHAGIGPBGLMMI-OAHLLOKOSA-N 404.540 1.120 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCCCC1 1507673011 LRSPXZUDFSXRFH-FQEVSTJZSA-N 410.566 1.985 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1Cc1ncn(C)n1 1507677329 YPZKLLCYWVVJPT-UHFFFAOYSA-N 419.489 1.896 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(CCN(C)C)CC1 1513056851 BTHHPRIVDJZYCK-HKUYNNGSSA-N 403.575 1.794 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1517359448 VGXQYUIICGAVHM-RTBURBONSA-N 413.478 1.759 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1517709741 IYFKFSUJHCNNLB-WMLDXEAASA-N 423.477 1.372 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc(Br)c2Cl)C1=O 1527289389 PPROQPNQQGANRN-UHFFFAOYSA-N 401.604 1.413 30 10 HDEE CC(C)C(=O)c1c[nH]ccc1=NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1529609519 KRQDPLSJESBNPB-UHFFFAOYSA-N 400.460 1.786 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)N1CCOCC1 1539020293 AEGQCTOSBKURJW-QGZVFWFLSA-N 421.505 1.223 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539085862 SHMAKUAGKGUBIF-DFEOGRTESA-N 401.511 1.520 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539444159 HQMHRUQXDHNVKV-IBGZPJMESA-N 411.554 1.385 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N(C)C)CC1 1539469546 BPMBOENNKGTVOK-QGZVFWFLSA-N 424.549 1.870 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(OCC(N)=O)CC1 1539504974 RPIYBIDJUVFFIS-UHFFFAOYSA-N 403.508 1.684 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539847120 KGSIATWDLDRCBJ-QZTJIDSGSA-N 402.543 1.742 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1540872573 SYWKPILHXOQRGH-HNNXBMFYSA-N 414.485 1.367 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2OCC[C@H]2C)C1 1540884964 YUNRVOMXJAHISG-LVQVYYBASA-N 413.544 1.095 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccs2)C1 1540885015 ZWIABAURTFRXHQ-ZIAGYGMSSA-N 411.553 1.779 30 10 HDEE Cc1ccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nnn(C)n2)cc1 1542471744 DOQRXDQWCCJDOV-FQEVSTJZSA-N 407.482 1.867 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1552417643 RQLKHDWAJQJERZ-ACSYHNTCSA-N 412.519 1.444 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1555271094 ZIGWMNZDXZDFGO-CJNGLKHVSA-N 409.487 1.671 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](CO)Cc2cccc(F)c21 1557308365 LZVFEHOTHUCIBM-ZDUSSCGKSA-N 417.462 1.452 30 10 HDEE COC(=O)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 1558396094 YUKRIFQRKBWODY-INIZCTEOSA-N 421.519 1.743 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(Cc2nnc(-c3cccc(C#N)c3)o2)CC1 1559843532 HPAQQSGFEDSJDH-MUUNZHRXSA-N 402.476 1.884 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 1560035081 LZHRSLGMDWTZGH-OAHLLOKOSA-N 402.476 1.721 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 1563953950 VKWCUFYMPYXHLE-UHFFFAOYSA-N 403.502 1.797 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)n1 1564958653 COQUEKJKYYVVOQ-ZHALLVOQSA-N 417.510 1.541 30 10 HDEE C=CCOCCCNC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1565082765 YWANGAYTOBIQAD-QGZVFWFLSA-N 424.542 1.832 30 10 HDEE C=CCNC(=O)CNC(=O)c1c(C)cnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1566894810 QIDAVPSEPDNARU-OAHLLOKOSA-N 405.499 1.796 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)CC(=O)N4)C2)C1 1583971495 LSQYRVIDQQDZER-RDYUPDBUSA-N 402.495 1.654 30 10 HDEE C=CCOCCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1587497797 DUGVMNNNBDESKW-GOSISDBHSA-N 424.295 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1587555270 DSQPAINBVOTPEX-HNNXBMFYSA-N 418.523 1.154 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)CCC2=O)cn1 1587611662 RAWUUNFEOAIBQT-HXUWFJFHSA-N 420.517 1.769 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1588035390 TWERKJWPEZWPGR-KRWDZBQOSA-N 418.519 1.473 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1588270997 CJTSZKOYGCWYSL-JOCHJYFZSA-N 411.506 1.925 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@]2(C)CCCO2)CC1 1588929685 FPHYDXKRTUGOON-UWJYYQICSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1589088699 FYBTZUPNZCPPGO-INIZCTEOSA-N 423.546 1.550 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C 1589215811 DSYSLXDLGRTGOX-OXQOHEQNSA-N 407.584 1.760 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C(=O)OC)C1 1593776003 GDLOAJPPXGBOEL-ULQDDVLXSA-N 408.499 1.594 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOCC)CC2)nnc1[C@]1(OCC)CCOC1 1593933086 VPMMNJOOKMLOTO-IBGZPJMESA-N 413.950 1.841 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1594870363 GJZIIGKUYCIXNH-HNNXBMFYSA-N 404.492 1.448 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(=O)NC(C)C 1594896293 VGIARVQTEDYAQE-UHFFFAOYSA-N 420.539 1.342 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1596183329 FVWVDFGXAISOAB-UHFFFAOYSA-N 419.493 1.247 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccc4c(c3)CCNC4=O)C2=O)cc1 1617330194 WIUWQAMUKMJACZ-GOSISDBHSA-N 417.425 1.688 30 10 HDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cc1F 1619271272 AQYPPRSIZUICRA-OLZOCXBDSA-N 424.502 1.823 30 10 HDEE COC[C@@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1619610022 KXDBQRXCIXVXKO-OCCSQVGLSA-N 402.496 1.003 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1619878691 SEMZCHJRBFSRMP-JOCHJYFZSA-N 423.521 1.111 30 10 HDEE C=C[C@H](CO)NCc1cc(Br)c(OCC(=O)N(C)C)c(OCC)c1 1621014647 XCBSVPUAAYFHTQ-CYBMUJFWSA-N 401.301 1.951 30 10 HDEE CC(C)NC1(CO)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1624584759 WKXAWOMBLLEADZ-UHFFFAOYSA-N 407.536 1.729 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCSC[C@H]3c3nn[nH]n3)CC2=O)cc1Cl 1625611329 GJQKJAKZYSCEHK-FZMZJTMJSA-N 417.882 1.394 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1OC 1626139826 BGWGXOJGCZUKCR-OJFHPMDPSA-N 407.488 1.688 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCc2ccccc2)C(F)F)CC1 1627330533 LDTGFXWDNVXHJU-INIZCTEOSA-N 414.478 1.048 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccccc2C(=O)OC(C)(C)C)CC1 1628146927 SENUFLHYQLFGMD-UHFFFAOYSA-N 413.518 1.468 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 1628483400 BNDDHZFQMKHKMC-IYARVYRRSA-N 419.551 1.025 30 10 HDEE C=CC1(CC(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CN(C(=O)OC(C)(C)C)C1 1629542851 CMDYUGOMRDRUDU-CQSZACIVSA-N 406.483 1.295 30 10 HDEE C=C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1630164781 SINVHZVFZVZQFE-OAHLLOKOSA-N 420.535 1.344 30 10 HDEE CC(C)CC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1631211128 DPUFKNRDEWRKEF-UHFFFAOYSA-N 409.483 1.890 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1631730035 IRUFRCGRVCGPEX-HNNXBMFYSA-N 409.508 1.989 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C(F)(F)F)no1 1632647517 MFNSYFKZXNDCLM-UHFFFAOYSA-N 417.369 1.224 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2c(Cl)cccc2Br)CC1 1634876125 DJWQMGSYPUDBBP-UHFFFAOYSA-N 412.715 1.539 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H](n1cccn1)C(F)(F)F 1637263919 WGTXTTTXPAADHP-GXTWGEPZSA-N 408.388 1.568 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C1 1638075500 QRWIXWYBTVFOJB-SJLPKXTDSA-N 418.519 1.660 30 10 HDEE N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1639964911 BVBYYMWSSAKBAK-OALUTQOASA-N 408.433 1.404 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2NC(=O)CC23CCCCCC3)cc1 1640226680 DXRVYGPFLXMXOU-UHFFFAOYSA-N 404.492 1.849 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1640636722 MMTZLSBEVSNHFP-GXTWGEPZSA-N 417.466 1.287 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](N2CCC2)C1 1640992855 UZGJEYLBERGYCN-WBVHZDCISA-N 404.536 1.446 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)n[nH]2)c1C 1642077953 JWZHEVPUFMBJKB-INIZCTEOSA-N 412.494 1.586 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 1643725844 OJOXMWQZYXPHQQ-OAHLLOKOSA-N 423.535 1.541 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 1643939503 XKUHMCRHCZGYLC-CORIIIEPSA-N 419.425 1.841 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1nnc2n1CCNC2=O 1644740878 YRYNPEZZJFOBEE-UHFFFAOYSA-N 409.368 1.578 30 10 HDEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1645104639 OODUJOBEOFHSBK-OAHLLOKOSA-N 420.535 1.411 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2noc(-c3cccc(Cl)c3Cl)n2)CC1 1645868327 ULSXPAWXDIXGNB-UHFFFAOYSA-N 408.289 1.910 30 10 HDEE COc1cc(CNC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)cc(OC)c1OC 1659322663 VPCGGPNHMXQADA-GOSISDBHSA-N 413.474 1.866 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1664372298 OJSNHXHGHWEEKV-SECBINFHSA-N 406.229 1.398 30 10 HDEE CN(C)CCCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664911742 FTXVNBZORZZORH-UHFFFAOYSA-N 402.524 1.352 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Br)cc(F)c2OC)cn1 1664952694 IHDQIJRMXZIHFH-UHFFFAOYSA-N 402.245 1.905 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1665734457 ZHZJADAALIQERQ-IBGZPJMESA-N 420.531 1.968 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc2nc(O)sc2c1 1668035645 FIYSGSAUNZNRDL-LLVKDONJSA-N 416.488 1.563 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cnc(N3CCOCC3)c(Br)c2)C1 1669305791 SQXOEZHQARMDBO-CQSZACIVSA-N 422.327 1.900 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(CN3CCCCC3)CC2)c1 1672115850 AWLGCTDRVWQKEN-UHFFFAOYSA-N 421.563 1.604 30 10 HDEE C=CCC[C@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 1672647404 FCEGOLNMMIWTKZ-CYBMUJFWSA-N 417.247 1.856 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cnc(-c3ccccc3)s2)CC1 1679956222 IFLNGCJJTHLTOY-UHFFFAOYSA-N 419.532 1.105 30 10 HDEE C#CCN(C(=O)NCc1nnc2n1CCOC2)C1CCN(C(=O)OC(C)(C)C)CC1 1682017235 ZYVYGXBVCQXRMU-UHFFFAOYSA-N 418.498 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC3(C#N)CCCC3)CC2=O)C1 1682422159 PEOCKCSZQQHAQY-AWEZNQCLSA-N 405.499 1.590 30 10 HDEE CC[C@@]1(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)OCCc2ccccc21 1683107917 WAMSBVCJRQOYSE-NRFANRHFSA-N 409.446 1.265 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 1685264313 HGBWVJBFCZUHAY-GOSISDBHSA-N 402.470 1.156 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1689828307 NEVWQQWPVPKUJY-HUUCEWRRSA-N 423.514 1.954 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1689892531 HSMUIKSELCXIDS-KRWDZBQOSA-N 407.540 1.571 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1690122541 UYXMQNPUKFZJJP-IBGZPJMESA-N 424.524 1.784 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)coc2C)CC1 1690124043 DKFYGPHMBNBYLQ-KRWDZBQOSA-N 417.535 1.194 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2OCC[C@H]2C)CC1 1690129031 NCZSDWPQDKNCPC-CRAIPNDOSA-N 400.552 1.814 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCCSC)CC1 1690146804 XFIGAURPHVGTAL-KRWDZBQOSA-N 405.568 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)C1CC1 1690190100 LCIONFUHKMGOOS-ZRGWGRIASA-N 408.572 1.363 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC2(CCC2)C[C@@H]1CC 1690655288 NQTWQMPCLSJAJT-INIZCTEOSA-N 400.527 1.975 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cnc(C)s1 1690724496 QIJWOWJBKCITMS-AWEZNQCLSA-N 411.553 1.784 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)CCc2ccccc2)o1 1698488133 KOEPOIBYNJRGAE-IBGZPJMESA-N 420.473 1.784 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CC1CCN(CCN(C)C)CC1 1705497650 FOOWKLMTAHQGOD-IBGZPJMESA-N 409.582 1.995 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1705534857 UDKLQHLVIOADEK-SJORKVTESA-N 409.556 1.649 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705548198 ZAUFZPSATRDPBZ-HMFYCAOWSA-N 419.570 1.887 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705560228 ISPJNPQTOFDJJE-GVDBMIGSSA-N 424.567 1.675 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1705560425 GUGCJSDTEKOAFK-RHSMWYFYSA-N 406.483 1.820 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1705566545 PBFFNMXKIPXAKT-CYBMUJFWSA-N 417.520 1.108 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1705598670 OPVOAWXBSDSLHD-PXAMLJHWSA-N 405.524 1.040 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(N(C)C)CCOCC2)CC1 1705638876 AIMULMBVKTZMJY-IBGZPJMESA-N 416.570 1.386 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1705640183 IBUWKERVHBWPNH-JOCHJYFZSA-N 410.497 1.242 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1705892383 BQKRGDCXXQMERX-UHFFFAOYSA-N 409.469 1.924 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1705973349 HJVDQGDAVVHQJS-HKUYNNGSSA-N 409.494 1.251 30 10 HDEE C[C@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)c1ccco1 1706897886 HVNDDTOGVFALKV-NRFANRHFSA-N 406.446 1.644 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)CCCO1 1708176855 GUSAKLWIEUPQEB-OAHLLOKOSA-N 420.477 1.585 30 10 HDEE CCOCc1nnc(N2CCC[C@H](C(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710704215 BVFJZRMRLYJPLP-VDMFXUGISA-N 424.452 1.823 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1712151216 HKNCVNQPCGVUIZ-SJORKVTESA-N 419.507 1.101 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722275367 DHXXOKPCSGELRB-JKSUJKDBSA-N 405.524 1.734 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1 1722304043 VEWIWIUYRLVNRS-INIZCTEOSA-N 400.479 1.865 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCCOC)c1 1722309170 KAZKXPGWAFDBBM-UHFFFAOYSA-N 407.478 1.771 30 10 HDEE C#CCN(C)c1nnc(-c2cc3c(s2)CCCCC3)n1CCS(=O)(=O)NC 1722346818 SQVFGANAJXPOSE-UHFFFAOYSA-N 407.565 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(OCCN(C)C)c2)CC1 1722445171 SWOYEEVRPDQEBL-UHFFFAOYSA-N 424.549 1.541 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CC)CCS(C)(=O)=O 1722460826 ZNFIRZIEPVZFBT-OAHLLOKOSA-N 400.570 1.757 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1722554164 GNKNRIHRIMHQPC-UHFFFAOYSA-N 408.934 1.848 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC 1722680107 XGKURXDBZRLABG-UHFFFAOYSA-N 411.466 1.369 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722688539 FNAYOXLFJNVVHW-RRQGHBQHSA-N 417.441 1.421 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCC2)C1 1722719932 CINZWGABPMZMLO-OAHLLOKOSA-N 417.535 1.966 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1729836309 HJPBQSNESZXMSW-YOEHRIQHSA-N 403.508 1.723 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccc3F)n2C[C@@H]2CC[C@H](CO)O2)C1 1731183695 VGALHEGYDCJLIB-RZQQEMMASA-N 403.433 1.990 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1731188092 BIWXZJVNHDYWAP-ZWKOTPCHSA-N 410.478 1.217 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1740553004 QFDXOLGRNYRMQU-JJXSEGSLSA-N 413.519 1.207 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(Cn2ccnn2)CC1 1740565093 JKVSVZPCYAJEIE-UHFFFAOYSA-N 410.526 1.826 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)(F)F 1740608993 JTRRDSZFONJWTM-CYBMUJFWSA-N 408.384 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ncnn1-c1ccccc1 1740629605 SXKXLQBVDOTNEX-UHFFFAOYSA-N 402.462 1.118 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccnc1-n1cccn1 1740641395 JSMQFKNJLMMLSF-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nnn(C)n2)CC1 1740700444 UJOKHBYWQIARMK-UHFFFAOYSA-N 423.550 1.206 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(N)=O)C1 1740760368 PFTXHVDPAPUDMC-RKVPGOIHSA-N 416.551 1.927 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740999412 HASAHAOOIVBSJI-HZPDHXFCSA-N 403.508 1.620 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1741075141 SKIMLGZSZZUUOP-AVRDEDQJSA-N 421.505 1.400 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1741174750 BXBJBEXFUQLWEV-HNNXBMFYSA-N 418.523 1.194 30 10 HDEE CC(C)Cc1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1741461310 DOIBFOJOKZAOJI-GOSISDBHSA-N 409.556 1.546 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1746683682 KMQKMNZRQGHHEN-RTWAWAEBSA-N 416.526 1.539 30 10 HDEE CN(CCCNC(=O)C1CCC1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1747940487 YHRMXCBZPAXOIT-UHFFFAOYSA-N 422.493 1.934 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1748770757 FCBKGMZGIPXMIN-HXUWFJFHSA-N 408.466 1.024 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748811851 MOKJJDQTQOPSHJ-FUHWJXTLSA-N 415.519 1.393 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1748920797 RXCZYQABBAGHBK-UHFFFAOYSA-N 406.494 1.418 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnn(C)c2C)CC1 1748992585 ABQQLACSTRSFFH-UHFFFAOYSA-N 419.533 1.723 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)OC)C1 1749114956 JOKVCOOECVVUGH-BBWFWOEESA-N 419.526 1.787 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)CCn1cccn1 1749725161 RMCDVJYJVKYIQE-UHFFFAOYSA-N 404.496 1.780 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCOCC1 1750006617 HRWZFYPSAMKNHS-WMZOPIPTSA-N 407.515 1.938 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCNC(=O)c1cc[nH]n1 1750065731 BKHMLKYNVKTCGL-GFCCVEGCSA-N 413.873 1.742 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)CCO1 1750386953 QIJGTXSPIAFWKU-CEXWTWQISA-N 418.542 1.138 30 10 HDEE CC(C)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1750784864 ANCFIWUDEXFGCL-HXUWFJFHSA-N 417.535 1.849 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1760235099 BQSYNXKYUNUCGE-MRXNPFEDSA-N 419.526 1.961 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1760250167 WXENPMDQUWSWTF-GOSISDBHSA-N 422.493 1.282 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC1(S(C)(=O)=O)CC1 1760250915 SURLNEAAXRBEQL-UHFFFAOYSA-N 416.547 1.841 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CCOC 1760312741 CYUOTBNSCLUOQS-RDJZCZTQSA-N 400.483 1.989 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760514551 JJNYFSFWXFDYGV-HOCLYGCPSA-N 413.544 1.048 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(N(C)C)nc2)C1 1760544855 ILWBJGVQKAKSJX-GOSISDBHSA-N 408.510 1.969 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1761286255 SDJOOIJFJMWPEG-VQTJNVASSA-N 414.514 1.626 30 10 HDEE CCC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1762541754 DYFGSVMOMOAMMA-MRXNPFEDSA-N 402.499 1.336 30 10 HDEE CCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1765511303 TWVJAPRWCWNOJJ-HEWTWTGNSA-N 415.542 1.632 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CC=CCC1 1766406799 CSABWXGRUBXHEG-UHFFFAOYSA-N 422.537 1.670 30 10 HDEE CO[C@]1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CCOC1 1768207306 BNUQYTDIZNXKSP-FQEVSTJZSA-N 402.499 1.450 30 10 HDEE C[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1770653209 MRERICBAEBOMMF-QLFBSQMISA-N 406.487 1.424 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)cc1 1771534293 VMFHEMHBUSIWGY-MRXNPFEDSA-N 418.404 1.739 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1)[C@H]1CCN(C)C1=O 1849165882 HVBKRSVFDJRGHO-ROUUACIJSA-N 405.520 1.475 30 10 HDEE C=CCN(C(=O)C[C@H]1CSc2nc3c(c(=O)n21)CCCC3)[C@H]1CCN(C)C1=O 1849230335 TUSPWUWVCSEDFH-BBRMVZONSA-N 402.520 1.404 30 10 HDEE N#Cc1c[nH]c(=NC(=O)c2cc3n(n2)CCC[C@H]3N2CCOCC2)c2ncccc12 1850776832 RTTIBDXLCBIZOW-QGZVFWFLSA-N 403.446 1.539 30 10 HDEE N#CC1(COC(=O)CCCN2CNC(=S)NC2)CC(OCc2ccccc2)C1 1851056557 WKPKMJZLDJPAOX-UHFFFAOYSA-N 402.520 1.894 30 10 HDEE N#Cc1ccccc1NC(=O)CN1CCN(c2nnc(Br)s2)CC1 1851416378 BAVXBGZASVGHCY-UHFFFAOYSA-N 407.297 1.933 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)NN1c1ccc(Cl)cn1 1851850890 IDVIRDBZBUEEAK-VXGBXAGGSA-N 401.858 1.550 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC3(CC2)CN(S(C)(=O)=O)c2ccccc23)CC1=O 1852934970 BVTPVZFCGSRTQR-INIZCTEOSA-N 417.531 1.361 30 10 HDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)CN1CCOCC1 1853212322 PJGVXKHMXDYAHE-UHFFFAOYSA-N 423.214 1.377 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccc(C)cc4)nn3C)C(=O)C2)C1 1853742171 URXUTEYEMYYRHL-LJQANCHMSA-N 407.518 1.940 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1C#N 1853820045 RAIWRSFSELNXRV-LJQANCHMSA-N 404.474 1.610 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cccc(Br)c3)C(=O)C2)C1 1855018795 GGCSOFXEMKDGNP-INIZCTEOSA-N 405.296 1.721 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855127575 ZIPXRXWSBMBPEO-HNNXBMFYSA-N 415.519 1.880 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855599607 CGKPGPMOVJFJDN-HKUYNNGSSA-N 416.522 1.157 30 10 HDEE C=CCCC(=O)N1CCCC[C@H](N2CCC[C@@H](n3ccc(=O)n(C)c3=O)C2)C1=O 1855627212 YAGVZYUPAAYJTN-SJORKVTESA-N 402.495 1.058 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cn2cnc(C3CC3)cc2=O)CCN1Cc1ccc(C#N)cc1 1855642761 RMRDXNULKKUQTB-OAHLLOKOSA-N 405.458 1.252 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)cc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855734586 SKOIQQCYOYRQTJ-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)CC1=O 1855957934 ZXMGWSYVFMRZCV-AEFFLSMTSA-N 410.474 1.031 30 10 HDEE COc1cccc2sc(N3CC(C(=O)N4CCN(CCC#N)[C@@H](C)C4=O)C3)nc12 1856189722 UROONNVNTWBNQZ-ZDUSSCGKSA-N 413.503 1.714 30 10 HDEE C=CCN1CCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C(=O)C12CCCCC2 1856248726 DDVLCRQQQGDQRK-UHFFFAOYSA-N 400.479 1.615 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCCC2 1856288576 ZPUDVRBQSTWQFN-OAHLLOKOSA-N 402.520 1.525 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C(=O)[C@H]1C 1856288817 FVMIDTUAZGTARO-DLBZAZTESA-N 407.474 1.662 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1856538884 RVABJXOFLMTOIX-ZWKOTPCHSA-N 409.490 1.720 30 10 HDEE COC(F)(F)[C@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856846429 XRJJJSQWCDPFRF-CQSZACIVSA-N 413.402 1.408 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)COc3ccc4c(c3)OCO4)C1)CC2 1857213685 SVMODDOTZVHJBV-CVEARBPZSA-N 411.458 1.795 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C(=O)C2)cc1 1857374187 DOKFVOKLXGRORI-UHFFFAOYSA-N 419.363 1.774 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)C(C)(C)C1=O 1857494472 GJJREKPOHNMDCT-UHFFFAOYSA-N 407.474 1.855 30 10 HDEE COc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)ncc1C#N 1858053734 WTTRUNXJENNYDT-UHFFFAOYSA-N 401.448 1.784 30 10 HDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCCC[C@@H]2CCO)CC1 1868782121 DHVUVKMMJPEQTJ-MSOLQXFVSA-N 418.563 1.904 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540911 JAFDVYAKKYGFDX-UHFFFAOYSA-N 400.483 1.283 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCC(C(N)=O)CC3)ncnc2n1Cc1ccco1 1873597133 AJDGYIZVGVUSNR-UHFFFAOYSA-N 408.462 1.690 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875228825 GHYYBZIGTGEFBX-CQSZACIVSA-N 416.482 1.324 30 10 HDEE C#CCN(C)CCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1984752872 LAYLAKMGNCKEKR-SFHVURJKSA-N 417.506 1.694 30 10 HDEE C=CCn1ncc(NCC2(NC(=O)OC(C)(C)C)COC2)c(Br)c1=O 2044006512 NVDSCFSJZBRSIW-UHFFFAOYSA-N 415.288 1.897 30 10 HDEE C[C@@H]1CC[C@@H](C=O)N(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2181019680 SKBLBYYZINPJNU-QLFBSQMISA-N 402.513 1.237 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@]1(F)COCCN(C(=O)OC(C)(C)C)C1 2182455818 ZYOQYNOMIMMTMF-YOEHRIQHSA-N 407.508 1.677 30 10 HDEE CCCN[C@H](C#CP(C)(C)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388604 JFKSSRMZRRJLAJ-HUUCEWRRSA-N 406.485 1.972 30 10 HDEE CN(Cc1nn(C)nc1Br)c1ncccc1B1OC(C)(C)C(C)(C)O1 2232318779 PZQPOPUOBFPDAR-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C2 2247814692 TXVGVKJEAWJPMQ-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247857103 DRFGMVYHVUDOEE-INIZCTEOSA-N 420.315 1.601 30 10 HDEE CON(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247919234 UNUHHAWOVLDDBW-UHFFFAOYSA-N 422.291 1.332 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258138305 IMHVYBVYLMUOMC-SJORKVTESA-N 410.492 1.825 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366372 FMUNJNQYCFULOM-JUZXBQNTSA-N 408.376 1.181 30 10 HDEE CN(CCC(=O)O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269034588 VWVSPPLRSBJKAE-UHFFFAOYSA-N 409.722 1.796 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCS(=O)(=O)CCO1 2282058319 RXDGBPHEGHRDID-UHFFFAOYSA-N 401.315 1.158 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282318330 ZUHXZGURMHAMSP-QWHCGFSZSA-N 401.359 1.605 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@H](CO)C2)OC1(C)C 2282340954 LRXWTBWYCXMNGT-STQMWFEESA-N 401.359 1.877 30 10 HDEE COCC[C@H](COC)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282345904 RYICITFBNBRRHO-GFCCVEGCSA-N 405.347 1.377 30 10 HDEE CN(C[C@@H]1CCCS1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282350039 HHVGBZRUSGJYIK-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H]3C[C@@]3(F)C2)OC1(C)C 2282491614 LWEROMTXYYUQKA-BDJLRTHQSA-N 402.322 1.706 30 10 HDEE CC[C@@H](O)CN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500267 WTXRVKYORWZQBU-CQSZACIVSA-N 403.375 1.970 30 10 HDEE C[C@H](COC(F)F)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282511181 KOHICXVVOOWOTR-SECBINFHSA-N 412.289 1.489 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CCS(=O)(=O)CC1 2282585197 IWLRRNZGHQYSPC-UHFFFAOYSA-N 400.331 1.058 30 10 HDEE CO[C@@H]1C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828588 RAKLDVQWZDNWCD-BXUZGUMPSA-N 401.721 1.952 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@H](N)C1(C)C 2282833632 YNFLXYINNYFEDJ-STQMWFEESA-N 400.375 1.760 30 10 HDEE Cc1cc(S(=O)(=O)N[C@](C)(CN)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282842362 XFOWIDJVIDROTA-QGZVFWFLSA-N 400.375 1.761 30 10 HDEE C[C@H]1CNC[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282843458 NUEJECNKXWUZPB-MNOVXSKESA-N 420.793 1.977 30 10 HDEE CN([C@H]1COCC1(F)F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848602 PIOHKFRJWFLMQP-NSHDSACASA-N 409.285 1.702 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](CO)C(F)(F)F)OC1(C)C 2282855354 CNBWFJUCJOZJHE-SECBINFHSA-N 415.264 1.496 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC34COC(CF)(C3)C4)c2)OC1(C)C 2282864251 ZXSNKCLVKFNZTJ-UHFFFAOYSA-N 403.306 1.597 30 10 HDEE CC1(C)OB(c2ccccc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c1c(Br)cncc1Br 2368319168 OTYUCMFJIDUDOM-AIIFXLABSA-N 402.086 1.863 30 10 HDEE C[C@@H]1CC[C@H](S(C)(=O)=O)CN1Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1 2368849825 UFZKWMCVXZFIBY-OLZOCXBDSA-N 400.375 1.840 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(F)cc(F)c21 13794979 WQAATZKZZMTRGV-ITEXZYEPSA-N 413.471 1.856 30 10 HDEE C=CCNC(=O)CN1CC2=C(C1=O)[C@H](c1ccccc1Cl)NC(=O)N2CC=C 34791892 GOSYTPDVTJMHCC-SFHVURJKSA-N 400.866 1.991 30 10 HDEE Cc1ccc(/N=C(/N)NC2=N[C@@H](CC(=O)Nc3ccc4c(c3)OCO4)C(O)=N2)cc1 40376510 BOAYTKNRQHNMAL-AWEZNQCLSA-N 408.418 1.983 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 59152792 LKIDZCNYORXEGE-CXUHLZMHSA-N 407.364 1.774 30 10 HDEE Cc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1F 254566680 JZZVYCZPXDJGGC-OLZOCXBDSA-N 400.453 1.600 30 10 HDEE N#C[C@@]1([C@@H](O)c2c(Br)cncc2Br)CCS(=O)(=O)C1 394544146 WOLBDDDJPGGZBP-QWRGUYRKSA-N 410.087 1.968 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 409512429 IQVXYUVVWYADPP-XJKSGUPXSA-N 406.487 1.715 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCCC[C@H]1c1ccnn1C 410286582 IFPLYTYONSPACY-KDOFPFPSSA-N 401.492 1.712 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1C#N 427270438 UNLLUFLRJQALGL-UHFFFAOYSA-N 410.452 1.642 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1C#N 427783701 ZBMJAGPCXWFVLB-UHFFFAOYSA-N 413.503 1.888 30 10 HDEE CO[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 440234460 KGYSEJLHDMYCLW-IRXDYDNUSA-N 406.508 1.388 30 10 HDEE CSC[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 460283943 WACXYXSTHNBCEI-OKZBNKHCSA-N 415.515 1.960 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 460387872 MQVSASFCBRYDNN-ZBFHGGJFSA-N 409.512 1.978 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C#N)c2ccc(F)cc2)s1 468184320 UWPPQQGTHGSZTR-HNNXBMFYSA-N 424.479 1.183 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN4CCC3CC4)nnc12 470855090 PVWLXXDJTSSLEC-UHFFFAOYSA-N 424.530 1.629 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CC1 474150632 AMRMCMCXGAXVBH-VQTJNVASSA-N 414.550 2.000 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 479920810 BUKDKTOJVSJOGS-OAHLLOKOSA-N 418.519 1.086 30 10 HDEE CC1(C#N)CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)C1 482650829 ZZYPVGNQRYGMHA-CQSZACIVSA-N 412.309 1.974 30 10 HDEE Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N1CCN(C(=O)CC#N)CC1 503629495 SPHGCRCGHBPZRO-UHFFFAOYSA-N 423.399 1.277 30 10 HDEE Cc1oc(NC(=O)CN2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)c(C#N)c1C 507672229 JKUXAZXAXBKWPJ-HNNXBMFYSA-N 401.511 1.772 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 508670116 KWZPPBCIABPLKQ-CJNGLKHVSA-N 412.450 1.986 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(c2ncnc3c2cnn3C)CC1 508845509 NXYMUSTUXJEIPR-UHFFFAOYSA-N 419.493 1.846 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(Cc2nc(C)no2)CC1 508935710 OLNSXIKVGKNZOG-UHFFFAOYSA-N 423.477 1.916 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)c(F)c1 510511388 VAGMNEINCAYIKJ-QGZVFWFLSA-N 409.469 1.988 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCc2nnc3n2CCCCC3)CC1 531245289 IOKOSWBSGAJMDA-UHFFFAOYSA-N 408.510 1.736 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 533138202 UUGSEJBDHCOCOF-OAHLLOKOSA-N 408.499 1.283 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)N2CCN(C(=O)C3CC3)CC2)n1 542934223 KDERJLVEMLUIJR-UHFFFAOYSA-N 412.881 1.890 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 545471140 ZWVLVBWDCDRJBC-UHFFFAOYSA-N 419.532 1.204 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1C(F)(F)Oc1ccccc1 549645590 WEASATKDPQHGKB-HNNXBMFYSA-N 407.421 1.934 30 10 HDEE NC(=O)[C@@H]1Cc2ccccc2N(CC#CCN2C[C@H](C(N)=O)Cc3ccccc32)C1 551699542 GBKHAVSZIHFDOR-WOJBJXKFSA-N 402.498 1.318 30 10 HDEE COc1cc(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)ccc1C#N 562252762 MVIRIYADFNFHRO-UHFFFAOYSA-N 402.476 1.486 30 10 HDEE C=CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 565866361 RLHQIVQQHBBSBW-JTQLQIEISA-N 400.806 1.690 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)Nc2ccn(CCC#N)n2)ccc1Br 575200610 FBUFQIPUGKHAQS-UHFFFAOYSA-N 420.223 1.923 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](C(F)(F)F)OC[C@H]1C 587405188 OBQIVSMQAARVKF-UHIISALHSA-N 405.398 1.403 30 10 HDEE CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1 588114690 SJYNGEPEOVRUDD-UHFFFAOYSA-N 411.480 1.864 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC1 609040669 DJIPARQAFZMQNN-OXJNMPFZSA-N 421.567 1.160 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(c3ccc(C(N)=O)cc3)CC2)ccc1Cl 609801818 AUSRYXJUJHNPEA-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE Cn1cc(CNC(=O)C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)nn1 611952065 GKOUWNRNBNHVBC-UHFFFAOYSA-N 404.430 1.715 30 10 HDEE C=CCn1c(COC)nnc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 669806174 OQHWNHSEFZJFIL-UHFFFAOYSA-N 417.510 1.959 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cc(Br)cnc2Cl)CCN1C1CC1 732670379 ZLKQYYJSXAWDMJ-NSHDSACASA-N 405.705 1.858 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nc(S(C)(=O)=O)n2ccccc12 734291171 ISUUSPIPCDGECV-UHFFFAOYSA-N 418.456 1.037 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(F)c(CN(C)C)c2)cc1 734444695 RTYDGHHWDHFPSB-UHFFFAOYSA-N 403.479 1.729 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C 745050500 WCJUOYIOOIZOQP-LBPRGKRZSA-N 418.475 1.893 30 10 HDEE COc1ccc(Br)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 747266918 MRZOLRQKXMYTFY-LBPRGKRZSA-N 400.298 1.819 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c1 751674881 GXPYYFWZTDLLFU-AWEZNQCLSA-N 405.457 1.568 30 10 HDEE CCC(=O)NCc1cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC 751990167 RNSNNIMXPAPQES-INIZCTEOSA-N 406.508 1.082 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H](c2ccccc2F)N2CCOCC2)cc1 755583640 VJUZKGTWOCMZGD-LJQANCHMSA-N 417.462 1.717 30 10 HDEE CC(C)(C)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1O 758502507 HNDALFZZWFMODW-HZPDHXFCSA-N 407.536 1.761 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(-c3scnc3C)n2)cc1 761061975 CEHZELACJBFQJE-UHFFFAOYSA-N 418.456 1.770 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 765190155 VAQJVZLPPSPWDE-UKRRQHHQSA-N 404.410 1.374 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2(CCO)CCOCC2)cc1 772420929 NTZPRWCHYXBSKG-XLNRJJMWSA-N 424.523 1.553 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@@H]1CCCO1 773556280 IQDCGCWPCGLUBR-MOPGFXCFSA-N 405.520 1.592 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774187245 GFYQRLSROHJFNB-HOTGVXAUSA-N 413.540 1.465 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)[C@@H]1CCS(=O)(=O)C1 774195325 MSUSCYAHZKGQBB-GOEBONIOSA-N 411.474 1.623 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)cc2)CC1 780960573 MTWJHPUWGXZCCS-QFIPXVFZSA-N 406.486 1.937 30 10 HDEE C#CCN(C(=O)CCCOc1ccc2c(c1)NC(=O)CC2)[C@H]1CCS(=O)(=O)C1 783359813 ZJCXUDHIQMRTGW-INIZCTEOSA-N 404.488 1.379 30 10 HDEE C=CCn1c(CCN2CCCCC2)nn(CN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)c1=S 793652588 AZKLFCLFPXXUAA-VQFNDLOPSA-N 405.568 1.937 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)n1 803552145 YZTSPYHKBCZVBX-JLHYYAGUSA-N 422.470 1.992 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)C(C)(C)c2cc(F)cc(C#N)c2)C1 803925835 BYVRWVCCUIDIBN-LJQANCHMSA-N 419.497 1.991 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 804453235 CLLCOWPNHRDHHD-MRXNPFEDSA-N 407.455 1.462 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@H](C)C(=O)NCCN1CCOCC1 805973019 FWAGMPPBTLYHCL-VQIMIIECSA-N 403.479 1.342 30 10 HDEE Cn1[nH]cc2c(=NC(=O)C(=O)NC3CCC(Oc4ncccc4C#N)CC3)ccnc1-2 806990003 GYXUIKAYZUBKEU-UHFFFAOYSA-N 419.445 1.053 30 10 HDEE C[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(NS(C)(=O)=O)c1 808745719 CSFWRMLVJIZDRB-ZDUSSCGKSA-N 408.505 1.449 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cncc(Br)c1 920796904 VGRGSGBIJOCHPW-JTQLQIEISA-N 410.249 1.988 30 10 HDEE NC(=O)c1cc(Br)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1116182956 DPGCRRPENWWUOF-JQIJEIRASA-N 407.224 1.403 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1128704238 YBIVBXOTKRKDJB-MRXNPFEDSA-N 416.341 1.963 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C(=O)Nc2ccc(Br)c(C#N)n2)nn1 1130239646 ADNUGBDKMMYGSB-UHFFFAOYSA-N 407.228 1.901 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c(OC)c1 1135000489 IWQIFQZTVMZONV-UHFFFAOYSA-N 409.504 1.609 30 10 HDEE CCOC(=O)C1(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CCCCC1 1136286855 JQLNAYLXUVCMOM-UHFFFAOYSA-N 407.492 1.793 30 10 HDEE C=C[C@H](O)C(=O)N(CCN1CCN(C)CC1)Cc1ccc(Br)cc1F 1136768539 GPQPFDGNKPPYST-KRWDZBQOSA-N 414.319 1.711 30 10 HDEE N#C[C@H](CO)NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccccc1 1140739483 KRZBPTNZWJCBFG-ZHRRBRCNSA-N 404.426 1.166 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCS(=O)(=O)C1CCOCC1 1141127413 QDNRRCYSKJJLEO-OAHLLOKOSA-N 417.528 1.284 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1142886443 KDNGJBXSWCWBGH-UHFFFAOYSA-N 423.448 1.522 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCN(C(=O)CC#N)CC2)cs1 1149999435 BNFUBBADKAAULU-LBPRGKRZSA-N 407.496 1.927 30 10 HDEE Cc1ccc(C(=O)NC2CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)cc1 1175052513 GQXGHXLGSWNESO-UHFFFAOYSA-N 412.515 1.930 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 1194690175 GUUPLVPNHCFUQO-RBUKOAKNSA-N 423.966 1.962 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1227630431 BJRGDHPSFPQGEF-LAUBAEHRSA-N 414.462 1.023 30 10 HDEE C=CCC1(O)CCN(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 1231108366 DCYGUIZAAXUVRT-VQTJNVASSA-N 412.534 1.698 30 10 HDEE CCOc1ccccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1254140543 URSXCNOTLVHIEZ-HNNXBMFYSA-N 413.455 1.815 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 1264809482 IBCWJEZSJJXUIJ-HXUWFJFHSA-N 417.465 1.986 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286344179 PMGPFEQWSCYRLR-QGZVFWFLSA-N 422.489 1.840 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC2CC2)nc1 1286360195 DHKODRGAHGIWNN-AWEZNQCLSA-N 418.523 1.190 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286386829 IDAYHEKTQKPVBE-DNVCBOLYSA-N 403.508 1.061 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2ccccc2F)CC1 1286476641 BOWWHBADOIZJHX-UHFFFAOYSA-N 421.480 1.598 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCSC2)CC1 1286481988 ZCFCSQOPCFVFNP-IRXDYDNUSA-N 423.608 1.079 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286549463 VRJJYIKAIQKJHY-NWDGAFQWSA-N 405.318 1.662 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1286634461 WLOLDOCNXXQTPW-SFHVURJKSA-N 402.543 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](CNC(C)=O)C1 1286818474 XFWFHGPHMJQTIN-DOTOQJQBSA-N 411.572 1.745 30 10 HDEE C#CCOCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1ccccc1 1289432894 JAYAZHZEEKJJLI-FIQGOXITSA-N 408.498 1.561 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1290844637 BLNQWPJLDFFPLZ-LEWJYISDSA-N 410.522 1.710 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1294846434 CABPHNLVHMIKCJ-GOSISDBHSA-N 412.494 1.585 30 10 HDEE COc1ccc([C@H](CCO)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1295087916 LKKYBMGCXAQDNJ-SFHVURJKSA-N 406.435 1.985 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1298076480 MSDZBIITBWASMS-IEBWSBKVSA-N 415.586 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1300312399 ZLSKEIVAHDABGS-HNNXBMFYSA-N 410.522 1.588 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)N(C)C 1300321731 NDEODOCFYHGPEZ-MRXNPFEDSA-N 414.535 1.630 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300422120 GDMVCWINWQZYMJ-KRWDZBQOSA-N 406.446 1.783 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](OC)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1300497395 AYVXAFYBKHAFKG-ZWKOTPCHSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCC[C@H]1C 1300558806 CKHCQLFAQJXUKW-COPCDDAFSA-N 400.523 1.944 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1300603089 WYYGMBYIHFLOGR-HZPDHXFCSA-N 419.555 1.430 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCSC2)CC1 1300700996 CLTIBBKGKWVAIV-OAQYLSRUSA-N 415.538 1.631 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OC)C1 1300886064 VSDGPLWTWHJMNY-QAETUUGQSA-N 410.540 1.387 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1 1300890878 IKCXWRHRJFVAAA-YLJYHZDGSA-N 413.526 1.752 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](CNC(C)=O)C1 1301044019 BKJCHLISJAEWAF-KRWDZBQOSA-N 419.913 1.971 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301186146 REOLRUWIOIABEM-KRWDZBQOSA-N 417.558 1.232 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC=CCC1 1301477783 FHPGRYFFGZANJX-UHFFFAOYSA-N 414.897 1.930 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O)C(=O)OCC 1302417819 BXKKVDVDKMWXDH-CQSZACIVSA-N 417.849 1.814 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)OC)c1 1303067104 AEYDHBFLGZPVQW-UHFFFAOYSA-N 408.520 1.896 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CC(S(N)(=O)=O)C1)CCCC2 1307833436 LHDZLBZJMJDCQN-UHFFFAOYSA-N 413.503 1.139 30 10 HDEE CN(Cc1nnc2n1C[C@@H](C(F)(F)F)CC2)C[C@@H](O)CC1(C#N)CCOCC1 1308071004 PKWXBXJSMQBQHQ-KBPBESRZSA-N 401.433 1.906 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1312002524 BRFUBMGTWXQHCS-DLBZAZTESA-N 403.479 1.868 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(Cc3ccccc3)CCCC2)CC1 1312392963 IYGCAIUSPDTYMZ-UHFFFAOYSA-N 418.563 1.584 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1312612166 GBOIDCJQEXRDLR-FXAWDEMLSA-N 402.495 1.042 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1F 1314661485 NSULVKVTHQVAEF-HZPDHXFCSA-N 400.458 1.764 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2CC(=O)N(C)C2=O)c(C(=O)OCC)c1C 1349733478 HRWHWKHYPRNWEL-UHFFFAOYSA-N 423.447 1.409 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(SC)CCN(C)CC1 1359022457 ALRKIFLJGSMXFE-UHFFFAOYSA-N 417.583 1.592 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359121142 YZBQZRBIHBSOBP-INIZCTEOSA-N 401.515 1.532 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359666866 DMQXMYCFKFEXSP-QKLQHJQFSA-N 406.506 1.928 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)N2CCOCC2)CC1 1440943026 WDIRIOPYOGYWBS-UHFFFAOYSA-N 421.295 1.460 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1442990480 YSAUKRPZRABLPB-INIZCTEOSA-N 409.508 1.398 30 10 HDEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1444472481 ZBZCMOUAUPQVRL-UHFFFAOYSA-N 415.471 1.704 30 10 HDEE C[C@H](CC(=O)N1CCN(C)C2(CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1449888800 BYOWHIVLUFEWCH-MRXNPFEDSA-N 418.563 1.981 30 10 HDEE CN(Cc1noc(C2CC2)n1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1451390780 GQSBLFUYVGDJDG-UHFFFAOYSA-N 403.464 1.424 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)o1)S(C)(=O)=O 1453809908 ZBSCBWZDSULTIU-UHFFFAOYSA-N 403.464 1.636 30 10 HDEE C=CCC1(O)CN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)C1 1455683345 YPYPYRJMICPSCW-UHFFFAOYSA-N 402.472 1.634 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)cnc21 1456064308 OIIFBJCPERYQQL-CQSZACIVSA-N 405.418 1.017 30 10 HDEE CCN1CCN(C(=O)CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1457837538 DFLUPEZDAOFVBJ-MRXNPFEDSA-N 409.531 1.244 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](n4ccnn4)C3)C2=O)cc1 1461059974 XFFYZRZHZFXYNI-SJORKVTESA-N 407.434 1.218 30 10 HDEE COC(=O)[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1466407090 WKJIEXAIUSSPHI-JKSUJKDBSA-N 403.435 1.043 30 10 HDEE C=C(Br)CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1468372554 BBYLMKGCKZZYLE-UHFFFAOYSA-N 417.329 1.335 30 10 HDEE COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(OC)cc1 1468380932 ILMLGNTZIWYWCS-KRWDZBQOSA-N 420.418 1.776 30 10 HDEE C#C[C@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1473587382 LBNHDQRIYRELEC-SFHVURJKSA-N 403.548 1.823 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(CCOC[C@H]2CCCO2)CC1 1483985590 CMPFHIFLRVHQIC-BTOHRNCKSA-N 402.535 1.532 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1503800214 CAXZIJVDDFDCAN-MRXNPFEDSA-N 411.510 1.110 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1503807747 YWTBVNZQSJRRAL-UHFFFAOYSA-N 419.445 1.814 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1Cc1ccc(C#N)o1 1504970131 JNQNGSBZXKGAPI-VLIAUNLRSA-N 414.466 1.374 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@]23CCC[C@H]2OCC3)CC1 1506349968 FDKSBTAEHANUSN-BFGVTYBUSA-N 412.530 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1507545456 KDDBJDRJRURLCV-HNNXBMFYSA-N 421.523 1.215 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@]2(O)CCN(C)C2)c1 1507552111 KIAIBNLSGQXYEP-QHCPKHFHSA-N 422.533 1.353 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1507632680 PBKLULXOAUMBKM-CVEARBPZSA-N 419.507 1.144 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCc1n[nH]c(C)n1 1507677041 TVHGOOXSDZUUJL-UHFFFAOYSA-N 419.489 1.998 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NC(C)C)CC1 1507727888 NRKDKBFGLSXFTQ-UHFFFAOYSA-N 424.549 1.352 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(CCOC)CC1 1507752193 UEPDSNGPKPDEMI-UHFFFAOYSA-N 400.552 1.783 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C 1507761301 LQDZZHUDAQQMDS-BWAGFHJFSA-N 417.554 1.643 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N(C)CC(=O)N1CCOCC1 1507853204 COIZCJPCHLHYLL-UHFFFAOYSA-N 412.922 1.244 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1507933653 ABUQZECIPOJSKB-ZACQAIPSSA-N 412.556 1.777 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1507935580 RZESLTSUFUXOHA-MRXNPFEDSA-N 409.556 1.628 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1507942196 BWIYBVLGDNOZRB-GJZGRUSLSA-N 412.560 1.350 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC)[C@H](C)C1 1508092407 POMOYHCILAFYFB-QGZVFWFLSA-N 423.521 1.561 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CCO1 1508379998 SZKANIGLJUXTAO-QAPCUYQASA-N 414.466 1.026 30 10 HDEE CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)OC 1513465263 GYKSMFJFNAYWNS-KRWDZBQOSA-N 419.493 1.753 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(N(C)C)c1 1519325525 GLXXUJKFKNQABW-QFBILLFUSA-N 414.510 1.845 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1531087172 BDMASGPOEOINPP-SFHVURJKSA-N 409.490 1.621 30 10 HDEE CNC(=O)c1ccccc1N(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537891924 PSKHLRMFGALUKW-UHFFFAOYSA-N 400.460 1.515 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1539147513 AUIZTXWUYWQRPP-CQSZACIVSA-N 403.508 1.079 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1539230847 LZEQGLZKFICNAF-UHFFFAOYSA-N 420.517 1.374 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(OC)CCOC1 1539265448 GCLJSKHLKBMYII-SIKLNZKXSA-N 408.458 1.669 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1539340022 BIQGSEOIODUUEV-OAQYLSRUSA-N 407.478 1.396 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1539616591 RMTRUDNXZKHXFH-BDXSIMOUSA-N 405.499 1.712 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1539758095 GZQRVJXWYHEVPO-AWEZNQCLSA-N 417.432 1.761 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539812371 NSQCYIQAIJGMMV-CHWSQXEVSA-N 420.926 1.737 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCCC 1540064186 NGCMWCJEARKPHV-UHFFFAOYSA-N 405.528 1.387 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nncn1C 1540195537 CACPQMKJAJZMKV-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1540919433 AMFAHZDTBNCGDK-OXJNMPFZSA-N 421.567 1.704 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1541115576 BLYZTVLCGXMRBL-RYUDHWBXSA-N 413.454 1.416 30 10 HDEE Cc1cccc(O[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1542233971 HGVWTNQIIUSKFC-FUHWJXTLSA-N 412.494 1.921 30 10 HDEE Cc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543283357 UTHMZNVDKUILDB-ISLYRVAYSA-N 400.483 1.510 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)cc2C1=O 1543711257 RERSDMVKQFMRSW-GOSISDBHSA-N 420.469 1.494 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cc(Br)cc(S(C)(=O)=O)c1F 1544117075 MSLYBIIDXWKMQP-AWEZNQCLSA-N 406.277 1.565 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C[C@H]1OC 1555787096 XEZVIGFNIRKNNO-HDICACEKSA-N 417.535 1.782 30 10 HDEE C#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1556666055 PDARBVNZWJIOBN-UHFFFAOYSA-N 414.483 1.814 30 10 HDEE C#CCN1CCC(NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1558423320 RELVWGSTZJRQOW-UHFFFAOYSA-N 418.346 1.876 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOc3ccccc3[C@@H]2CO)ccc1F 1558512953 LWKOBMXWGSLOFT-KRWDZBQOSA-N 420.462 1.858 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)nn1 1563219959 FQEYXSLGLMQQDL-UHFFFAOYSA-N 407.228 1.879 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccn2ncc(Br)c12 1565630375 YTTIDWYYKRITFO-DTQAZKPQSA-N 404.224 1.353 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OCC[C@H]4C3)C2)C1 1566429788 SSFXUBITTVFULT-WZHMAMEKSA-N 418.494 1.826 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1570227642 NUUMFGZYCIMMDZ-CJNGLKHVSA-N 421.291 1.777 30 10 HDEE Cc1cc(C(=O)NCCCCn2cc(C(N)=O)nn2)c(C)n1-c1ccc(C#N)cc1 1570283707 MYPNBVGVDBCXKU-UHFFFAOYSA-N 405.462 1.866 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NN1C(=O)c2ccc(Br)cc2C1=O 1570791233 GQNZNXUIFXTZCK-UHFFFAOYSA-N 401.176 1.671 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(CN(C)C)cc1)c1cc[nH]n1 1584464338 AMKMCSCTDAQVQL-UHFFFAOYSA-N 401.467 1.414 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCO[C@](C)(C#N)C3)c2)C[C@@H](C)O1 1585431291 BMJYCGCRNJNNKP-ZRGWGRIASA-N 407.492 1.239 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CCO2)cc1 1585446536 UTVRFTHKJIYPFD-PMACEKPBSA-N 403.442 1.578 30 10 HDEE Cc1nc(C(=O)N(C)CCc2cccc(C#N)c2)nn1-c1n[nH]c(C(F)(F)F)n1 1586612698 ZRRUOZQRCZXUFV-UHFFFAOYSA-N 404.356 1.899 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(I)ccc1-n1cnnn1 1587411543 RYASUWRUVNOWNW-YPMHNXCESA-N 411.203 1.340 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1587638966 IHLMHAWEVYCIMO-BBRMVZONSA-N 423.564 1.487 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncnn1C(C)(C)C 1587921884 LOSBTCKOAWSYRG-HXUWFJFHSA-N 401.515 1.783 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCC[C@@H]1C 1588088856 BFWBZAXAUXWDMO-BWAGFHJFSA-N 400.523 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1ccccc1OC 1588159023 OMSAFQBKMYLOOI-GOSISDBHSA-N 421.501 1.949 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CN(CC(C)C)CCO1 1588695454 HQTVDFVKQSIIRF-RTBURBONSA-N 405.543 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C)c2)CC1 1588924246 YAYDZVOJMCACAX-IBGZPJMESA-N 420.517 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(N(C)C)CCC2)CC1 1588930204 PNQMXQDHYJIFCD-GOSISDBHSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1589042797 ONHARWIIADFYBS-IBGZPJMESA-N 419.576 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595812224 PVBQJYWAJJWUPP-DLBZAZTESA-N 421.567 1.326 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCn1cc([C@H]2CCOC2)cn1 1596783992 XLQBDRCEBPGUBF-CVEARBPZSA-N 414.514 1.413 30 10 HDEE C=CCN(C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597170698 NFSSNHLKMMZNPQ-SWLSCSKDSA-N 410.496 1.403 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1598122760 ACOVSADIAQVJFW-OAQYLSRUSA-N 409.494 1.291 30 10 HDEE C[C@H]1Cn2nc(C(=O)NC3CCN(CC#N)CC3)cc2CN1C(=O)OC(C)(C)C 1610410853 IUPRLJKWHAIEKI-AWEZNQCLSA-N 402.499 1.740 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2)C(=O)OCC 1622450556 UKMZUKIDHXUNDD-MRXNPFEDSA-N 400.884 1.901 30 10 HDEE CC(C)(c1nnc(C(=O)NCCSCc2ccccc2C#N)o1)S(C)(=O)=O 1623316281 RBOKEXTYWBAVEW-UHFFFAOYSA-N 408.505 1.884 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ccc(OCC(F)(F)F)c(F)c2)c(=O)nc1O 1624142483 DXUSYAXQNOWPKL-UHFFFAOYSA-N 415.303 1.722 30 10 HDEE CCOC(=O)C[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625387380 LVOZZXRZOAGJPT-FEDUSRTKSA-N 409.483 1.204 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c(C)n1-c1ccc(C#N)cc1 1627518399 VQKUZIJFFQNMOT-SFHVURJKSA-N 415.519 1.754 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H](CCC(N)=O)N1C(=O)c3ccccc3C1=O)C2 1627600707 QZCCPUFCMITEBK-GOSISDBHSA-N 402.410 1.331 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCS(=O)(=O)CC1 1627904836 BFRZUOZAZXMTLO-QGZVFWFLSA-N 419.503 1.650 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)c1 1629948873 VYOGWWNWEYIHCA-JTSKRJEESA-N 418.457 1.673 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 1631763533 IHTRYUSKMNVOAQ-KZNAEPCWSA-N 415.515 1.510 30 10 HDEE CN(C)[C@@H]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C12CCC2 1634106225 YFXWJEIBWQMBPW-RCCFBDPRSA-N 409.490 1.752 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)cn1 1634631048 JRDGFRXJUULEQE-UHFFFAOYSA-N 414.256 1.751 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1636699550 NXZPWLDABMRBGG-XMSQKQJNSA-N 421.497 1.943 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CCC)CCO)nnc12 1638992092 PHHQZNHGBXXIQJ-AWEZNQCLSA-N 415.519 1.990 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(CCc2cnccn2)CC1 1644188459 XUZOMGSNBQSWPM-UHFFFAOYSA-N 409.490 1.903 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1648283311 VOQGFDMKCHLSNY-ZGOJQLDESA-N 407.511 1.591 30 10 HDEE N#C[C@@]12CN([C@@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1648415890 QWTOTXJJNOEIFY-LXZKKBNFSA-N 413.421 1.681 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@H](CO)[C@@H](O)c2cccnc2)cc1Br 1648705386 UBLKRFYMYYURDP-WBVHZDCISA-N 406.236 1.305 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1649538207 AVVLDZDWPNQQHP-MGPUTAFESA-N 407.515 1.913 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1650972003 FEDOYWBHFPCNIQ-UONOGXRCSA-N 414.480 1.053 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CCO 1652285713 BWLNSDUTHKNVEE-CABCVRRESA-N 404.529 1.244 30 10 HDEE COc1ccc(CN2CCCN(C[C@H](O)CC3(C#N)CCOCC3)CC2=O)cc1 1653182970 OUJXRQIEQUFNFU-LJQANCHMSA-N 401.507 1.801 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1 1654984313 LWAHPBLHZUPWET-MSOLQXFVSA-N 409.552 1.525 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CCn3ncc(I)c3C2)c1 1660298780 BPPDZKFOZGQKCF-UHFFFAOYSA-N 421.242 1.491 30 10 HDEE C=CCCn1cc(CNc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)nn1 1662409695 WJGGKAWDKFWZCP-UHFFFAOYSA-N 404.540 1.793 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1663990879 OUIBOPYGLMNNTN-HOCLYGCPSA-N 403.545 1.743 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1)c1ccccc1 1664079798 APXVMIBAEPNOPV-MRXNPFEDSA-N 412.558 1.883 30 10 HDEE C#CCN1CCC(NS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1666233004 MCRCJKHTNOJDOY-UHFFFAOYSA-N 414.572 1.250 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(N4CCOC4=O)c3)CC2)cn1 1675660201 BXRLFIMFUJNVCC-UHFFFAOYSA-N 406.446 1.942 30 10 HDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C1CSC1 1676463232 RNAOSIMGHNDNLP-UHFFFAOYSA-N 403.489 1.860 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)c1cccc(S(N)(=O)=O)c1 1677133989 PIEFWMOIZYGGHU-INIZCTEOSA-N 409.508 1.772 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1684424699 CVFBYPWMABGATL-GOSISDBHSA-N 401.511 1.631 30 10 HDEE Cn1cc(C(=O)NCC2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)cn1 1684752791 JHFLQNXHACBGRV-FQEVSTJZSA-N 406.490 1.611 30 10 HDEE COc1ccccc1C1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1686062249 MNBSVCJONNMBPQ-MGPUTAFESA-N 403.504 1.697 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Cl)cn2)C1 1690685081 VASKIRHSDZFXOA-OAHLLOKOSA-N 407.906 1.748 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1690723491 TVRFSHVHLJJQLY-UHFFFAOYSA-N 423.583 1.887 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1690869433 HDHRHYZJNYJDFV-IBGZPJMESA-N 415.542 1.076 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1696501319 CYDFTLDOQBXKBD-DLBZAZTESA-N 400.508 1.745 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696762880 DIOVBWXMQUEFLK-CQSZACIVSA-N 422.411 1.968 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1705532089 FWVNOZBAEQCLJX-MSOLQXFVSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1705559375 ZGGRVUZAEWCISS-MRXNPFEDSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705566094 XPWVTIHPENURCF-SFHVURJKSA-N 413.503 1.480 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1705584637 RWIOBDMFABPKDA-QGZVFWFLSA-N 412.515 1.385 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705630880 KBWZPLOTUQPVCM-UEXGIBASSA-N 404.511 1.944 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(CSC)c2)CC1 1705638536 NQUOXYJUHWWUSR-LJQANCHMSA-N 424.574 1.896 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(SC)CCC2)CC1 1705639815 XDIORLUVRRKVJN-MRXNPFEDSA-N 423.608 1.221 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](C(=O)NC)C1 1705696965 RIXGSXBOVKKHKB-NJAFHUGGSA-N 415.494 1.779 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1705729086 KRJOELRUKDRUIV-UHFFFAOYSA-N 419.526 1.493 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1)C1CC1 1705853460 AZBACCFRFOYUNC-MRXNPFEDSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1705906011 OLJAUUCIGSASJN-LSDHHAIUSA-N 411.572 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1scnc1C 1705934598 QRDPVMTWMOELNH-CYBMUJFWSA-N 424.552 1.231 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N1CCOCC1 1708663967 DCGRKCKEGWIUIR-MOPGFXCFSA-N 424.505 1.408 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCC(=O)NC2CCCCC2)cc1 1712879559 FHSCDCLGJKDCAX-UHFFFAOYSA-N 421.505 1.592 30 10 HDEE COCC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCN(C(=O)C#CC(C)(C)C)CC1 1718988416 WWHVJVFXOGJCOD-GJNTUIEKSA-N 402.535 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1722296560 RQNJKYFOZXQWBZ-CVEARBPZSA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1722362734 VZARQGLZMLWUTA-AWEZNQCLSA-N 414.516 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccco1)N(C)C 1722388309 ZECVDHKKLWDFCE-GOSISDBHSA-N 408.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1722401490 ZXWUHKYJJBBCLC-UHFFFAOYSA-N 420.521 1.230 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCCCCC1 1722425301 UPWCKAAOQLWLJP-UHFFFAOYSA-N 413.526 1.557 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1722478208 RXMFOOYYYKVEQL-MRXNPFEDSA-N 414.304 1.321 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722526293 UJKFFGFFAOIHEP-GOSISDBHSA-N 416.551 1.844 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722685167 UEQILEVLTQWAFZ-GFCCVEGCSA-N 400.405 1.310 30 10 HDEE C[C@@H]1COCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1726749348 SQPLSWUKCCCDTM-IAFNSTAXSA-N 402.499 1.618 30 10 HDEE CN(C)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1729340363 JEVLOZBVCSONGZ-KRWDZBQOSA-N 423.521 1.744 30 10 HDEE C=CCOCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2ccccc2F)C1 1739485403 DWMZMNIAPVPBSZ-ZKJSPLOFSA-N 414.477 1.862 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1740542171 PJEGYRLJHXWUFD-OAHLLOKOSA-N 421.509 1.541 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740594185 DTWWPNQUYXSSTQ-QGZVFWFLSA-N 400.527 1.555 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CSCCS1)[C@@H]1CCS(=O)(=O)C1 1740616702 FROXLNSZCIJEAZ-CABCVRRESA-N 414.622 1.877 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1740661188 UKXBTPSKXSIINQ-UHFFFAOYSA-N 421.505 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1740701120 VFLRMBXSTQKOLQ-VAMGGRTRSA-N 416.570 1.384 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1740837948 BDLFPMRZZKYBON-OALUTQOASA-N 416.570 1.988 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1740876635 VWPICKAZKLFJPN-KRWDZBQOSA-N 422.555 1.707 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)N(C)CC 1740938539 IOGIBAOEWGPRIH-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740951248 DNFUWKPPPFUCNB-IRXDYDNUSA-N 401.515 1.504 30 10 HDEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C#N)C1 1741594562 IVUBSRAGWBEEOP-UONOGXRCSA-N 416.573 1.006 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748818166 WTLFYBPFUJBYIY-DLBZAZTESA-N 408.568 1.920 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1748906143 PUKOQWLWMQFSGS-IRXDYDNUSA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1748936313 VJQUPHGNAVSUGA-UHFFFAOYSA-N 421.505 1.743 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCCN1CCCO[C@@H](C)C1 1748958908 IGWDUDGBYDBLEW-IBGZPJMESA-N 412.538 1.927 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(F)ccc2OC)CC1 1748989703 BKVYTJTVEJSEBZ-KRWDZBQOSA-N 412.469 1.180 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](OC(C)(C)C)C1 1749650437 XHVLPAGQSZCLGL-HNNXBMFYSA-N 406.531 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749664484 OUTDFVIKBBFDQQ-CYBMUJFWSA-N 407.471 1.010 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749669905 MBIORIKCMZRDRO-UHFFFAOYSA-N 400.527 1.687 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(CC)C[C@H]1CCCO1 1749676035 BIHQFPRMDWBDOS-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)cs2)CC1 1749676783 DELDWHKEXHTGQP-UHFFFAOYSA-N 401.540 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749732535 YKPTZMQHGDILGQ-FUHWJXTLSA-N 423.583 1.303 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ncn(C)n2)CCOC1 1751014696 ABOAIJCQLNTWDF-IBGZPJMESA-N 400.487 1.235 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCCC1=O 1751929553 MKWKNCIJCQZRIB-UHFFFAOYSA-N 408.510 1.582 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1751982715 OBFAWIQXRBOVFA-MAUKXSAKSA-N 410.478 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1760109764 DPQVYYSIOSOIHD-OAHLLOKOSA-N 405.462 1.719 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC2(O)CC2)CC1 1760257803 AJUJOQRZENWFRZ-UHFFFAOYSA-N 411.506 1.633 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760440167 CSLZSXNZMGKTRS-GPMSIDNRSA-N 410.540 1.531 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1760548183 ZXMGPNVNOSQSSM-BRWVUGGUSA-N 410.540 1.736 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@@H](CC)C1 1760554986 SUHGSHQTDCRVJJ-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2CC)nnc1[C@@]1(OCC)CCOC1 1760558630 VMSXICSVWDLEEE-VQIMIIECSA-N 412.556 1.910 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](CO)O1 1760729248 JIZQRQGVXDOFTE-JKSUJKDBSA-N 412.494 1.650 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1760845610 QQNBXGSQDQYUCU-HNNXBMFYSA-N 417.901 1.885 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC2(S(C)(=O)=O)CC2)cs1 1762284364 XHPNZVQOVXYETK-INIZCTEOSA-N 424.527 1.653 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cc(Cl)cn2)cs1 1762295641 AADVNNVUKZFTTM-HNNXBMFYSA-N 418.914 1.913 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C)c(C)c2)nnc1N(C)[C@H](C)CC#N 1767855915 GEOVHCUEUAZZOI-MRXNPFEDSA-N 420.539 1.762 30 10 HDEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)cc1 1768572276 DSGYQTLIYGIPPC-UHFFFAOYSA-N 417.535 1.856 30 10 HDEE COCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1770076052 LFOKQFVOOZRTBG-GOSISDBHSA-N 421.461 1.537 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(CC3CC3)nnc2N2CCC(CC#N)CC2)C1 1770342398 CIGWGVFANJQECQ-QGZVFWFLSA-N 406.556 1.642 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CC(=O)NCC(F)(F)F)c1 1770735862 QHVPQSNTDRWNAO-OKILXGFUSA-N 422.367 1.057 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCOCC2)CCO1 1770747030 DXYJOBOPONLASY-MSOLQXFVSA-N 404.515 1.361 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1771300212 NZQXFNWOPDFJTL-WPTSPKKTSA-N 416.482 1.129 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(C3CCC3)n2CCOCCCO)CC1 1771534050 LRIJBUOCVCMXON-UHFFFAOYSA-N 411.510 1.538 30 10 HDEE Cc1nnc(N=C2S/C(=C3/C(=O)N(CC(=O)O)c4ccccc43)C(=O)N2C)s1 1772733894 CJSIYDJDPUJYAC-UAOQIXKOSA-N 415.456 1.882 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)ON2C(=O)c3ccccc3C2=O)n(C)c1 1772788484 UXWAURAJTCCCGA-UHFFFAOYSA-N 405.432 1.424 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cnn3ccc(C(F)(F)F)nc23)CC1 1848901762 GCAOYLILFMXEFD-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE COc1cccc(C#CCNC(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1 1850119259 QVYJYEZMDKLCGO-KRWDZBQOSA-N 406.438 1.987 30 10 HDEE N#Cc1c[nH][nH]c1=NC(=O)[C@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 1852097119 MUONDKQPWSYASY-OALUTQOASA-N 404.474 1.573 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)OCCN2CNC(=S)NC2)c2ccccc21 1852169351 DIJLEGCXFOJXEZ-UHFFFAOYSA-N 403.508 1.312 30 10 HDEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC(c2ncccc2C#N)CC1 1852469511 AOABVIICUZWVNV-LJQANCHMSA-N 412.515 1.820 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC2OCCO2)c2ccc3c(c2)OCO3)CC1 1853484112 YQAZXVVYHWGIQF-UHFFFAOYSA-N 410.448 1.495 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1853648762 STHHDFNMWBWZEX-SFHVURJKSA-N 403.504 1.589 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(C)cc3OC)C(=O)C2)C1 1853679114 DFTKJTSGZMZSDR-MSOLQXFVSA-N 401.507 1.702 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C(=O)C12CCCC2 1853679747 QWFAOLCDVXFTBT-UHFFFAOYSA-N 423.579 1.750 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3ccc(Br)cc3)C2)CC1=O 1854202943 PWJBRLFHLKGFEU-INIZCTEOSA-N 405.296 1.608 30 10 HDEE C[C@@H]1CN([C@H]2CCS(=O)(=O)C2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1854739868 GRAUDKAZBPMHGB-PBHICJAKSA-N 424.482 1.770 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@H]1C 1854751637 OWGIIZPYVJOVCM-MRXNPFEDSA-N 405.520 1.720 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3ncccn3)C2=O)CC1 1854763796 POYXMSWIZTUSBI-QGZVFWFLSA-N 405.462 1.087 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)CCn3ccnc3)C2=O)C1 1854963737 HYYSXNPANWBITL-SFHVURJKSA-N 408.462 1.211 30 10 HDEE C[C@H]1CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCS1(=O)=O 1855433722 VOQTUPSQAKKLTC-YJBOKZPZSA-N 403.504 1.589 30 10 HDEE N#Cc1ccc(CCC(=O)O[C@@H]2CON(S(=O)(=O)CCC(F)(F)F)C2)cc1 1855442925 FZXYARYFVACKPS-AWEZNQCLSA-N 406.382 1.932 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)c1 1856097080 BDRUOZMEYPAWRJ-NHCUHLMSSA-N 410.518 1.876 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nc3nccnc3cc2Br)CCN1CCC#N 1856197428 QINQIZNIBGKKCD-SNVBAGLBSA-N 403.240 1.374 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@H]1CCN(C)C1=O 1857042867 GLCDELHZABZJHI-AEFFLSMTSA-N 418.563 1.868 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(CCCC(C)=O)CC3)CC2=O)CC1=O 1857053308 LXOYMSPOGOZAFD-RTBURBONSA-N 403.523 1.477 30 10 HDEE COc1ccccc1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857066016 DZLOOKKIWMRIHI-HNNXBMFYSA-N 405.476 1.249 30 10 HDEE Cc1cnc(CCC(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)o1 1857069289 WZMCOOHGYBEFLO-QGZVFWFLSA-N 408.462 1.132 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1857206197 ABDDZQVIYMYAGS-HNNXBMFYSA-N 400.458 1.053 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CSc2ccccc2)C1)[C@H]1CCN(C)C1=O 1857274019 FYKXZQMRRIJKCQ-AEFFLSMTSA-N 401.532 1.873 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 1861186416 IOROHAHLWSZWEY-FUHWJXTLSA-N 404.486 1.090 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCC(N(C)C)CC2)cc1=O 1870384564 WNPVBNJMQHHBIB-UHFFFAOYSA-N 416.566 1.952 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCCCN3CCCC3)CC2)CC1=O 1872917557 FAILGECOEGAZKR-LJQANCHMSA-N 404.555 1.252 30 10 HDEE N#Cc1ccnc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882804125 LNCBSZWQNNBLAU-KRWDZBQOSA-N 417.443 1.638 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)C2)c1 1889747694 KEJNDOARDRFHMO-SFHVURJKSA-N 401.426 1.852 30 10 HDEE Cn1ncc(C#N)c1NS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046022988 OLGKCSZPZDTORV-QGZVFWFLSA-N 405.411 1.058 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)[C@@H]1CCCCN1S(=O)(=O)N1CC(C#N)C1 2185158222 GYTXCHSJAVPDPC-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1 2243380111 UNKPTYYCADOJHR-NSHDSACASA-N 405.264 1.964 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243687378 XBHFOBSICJLDIB-CABCVRRESA-N 408.304 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243715274 WNHKJQDDTZLJLU-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829774 VVNWDMNUBGMMBS-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CCn1cc(C(=O)NCCONC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247837388 RERNQGTVNIIZSQ-UHFFFAOYSA-N 424.307 1.388 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247927973 TYRAOUOMTNNQSM-OCCSQVGLSA-N 418.303 1.419 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)Cc1csc(C#N)n1 2271180470 BYMOPWNDKUMHIG-NSHDSACASA-N 403.482 1.686 30 10 HDEE C[C@@H](O)[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2281938443 NZZKOTFUXQQFQY-PWSUYJOCSA-N 401.721 1.923 30 10 HDEE C[C@@H](O)C[C@@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341409 RSVHRWGNMSFLDR-OLZOCXBDSA-N 401.359 1.971 30 10 HDEE C[C@H]1C[C@H](CO)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282346059 SUPQZJAFIFERNA-STQMWFEESA-N 401.359 1.686 30 10 HDEE C[C@@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282413660 IDZRSACCROLCKI-ZDUSSCGKSA-N 402.391 1.807 30 10 HDEE C[C@H]1C[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282497993 XMNLEDZBAIDXJV-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282502863 QPKWQMOQWKBCJQ-TZMCWYRMSA-N 401.359 1.580 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)N(C)C 2282504265 MHHZFSPZRBDCSW-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(CN)CCC1 2282831659 CDUNQYKNWSGHDX-UHFFFAOYSA-N 400.375 1.763 30 10 HDEE CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835868 ZFKGTHXSXBBMJO-RYUDHWBXSA-N 402.347 1.021 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282837301 TVFHHAWUQQSZEB-NSHDSACASA-N 419.761 1.753 30 10 HDEE CC(C)[C@@H]1NCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851525 DBRFFANMVZAOBZ-HIFRSBDPSA-N 400.375 1.712 30 10 HDEE CC(C)(O)[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282859582 OCEYDPZHFHEEOL-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@H](O)C2)OC1(C)C 2282866973 RGYGMDNLKZDOCN-KGLIPLIRSA-N 401.359 1.770 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]23CO[C@](CF)(C2)C3)OC1(C)C 2282871433 GZKSWGVHALJZSQ-WKILWMFISA-N 403.306 1.597 30 10 HDEE C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883117 WDQDRBAPNXZITI-GXTWGEPZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)OC1(C)C 2284394649 ATPNBTRUMNFHNS-INIZCTEOSA-N 401.315 1.675 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC/C=C/C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284403354 PCASTWXVYOBJTO-BQYQJAHWSA-N 401.315 1.583 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@@H]2CF)OC1(C)C 2288925547 YUMUVCMKYOTEPR-NEPJUHHUSA-N 404.338 2.000 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(C#N)CC1 2296377344 GMZRPXAIIYBLFK-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2342052907 WEEKTNPFXXOBKS-STQMWFEESA-N 400.522 1.520 30 10 HDEE C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367789217 QZIRDEONFBHPCM-FPCVCCKLSA-N 400.541 1.745 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCCOC1 2367793540 WIZDHHBUFDRITO-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H](COC)NC(=O)OC(C)(C)C 2367796434 IMXIEVDLXZVYMG-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2367834029 OGPZGSZATUEWPL-QMTMVMCOSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)NC[C@](O)(C(=O)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367857025 XTUOGRIQEUKQQM-IBGZPJMESA-N 401.525 1.828 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@H](NC(=O)OC(C)(C)C)C1 2373484850 PVCDPSZUWMUKDQ-IYOUNJFTSA-N 400.497 1.009 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375226355 JHNFOGRYIPWRQL-KSSFIOAISA-N 402.513 1.113 30 10 HDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@H](O)[C@@]12C 6761524 CLOQVZCSBYBUPB-ICEJQQBGSA-N 410.507 1.520 30 10 HDEE biogenic,in-vitro C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 10063382 ZGWLIRGUJQRWRN-UHFFFAOYSA-N 418.475 1.195 30 10 HDEE CCN(CC)c1ccc(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)cc1 21076217 WXADWUSNYUEEKH-DJKKODMXSA-N 414.499 1.946 30 10 HDEE Nn1c(N/N=C/c2cc(Cl)ccc2O)nnc1SCC(=O)Nc1nccs1 21320234 FNMOSBCUQGFLFZ-NGYBGAFCSA-N 424.899 1.984 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(C)Cc2cccc(C#N)c2)CC1 25103500 SUANNIBKPOZABD-UHFFFAOYSA-N 415.519 1.958 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 32054923 VUYFVHJLTVAVMS-UHFFFAOYSA-N 411.481 1.560 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C 63391444 DAVQACPOTXKAQL-UHFFFAOYSA-N 424.417 1.761 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@H]3c3ccncc3)N2)CC1 72444668 JMEPSFJQOUBPNZ-HUUCEWRRSA-N 422.445 1.248 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](COC[C@H](O)CO)OC[C@@H](O)CO 101694499 XFDRHYXXXLBRDQ-AABGKKOBSA-N 422.559 1.559 30 10 HDEE COCCN(CC/C(N)=N/O)S(=O)(=O)c1cc(Cl)c(Br)s1 148390789 VURDTSCPMQTWHG-UHFFFAOYSA-N 420.738 1.938 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 254609107 XDTGBRSBDMCCIP-CHWSQXEVSA-N 418.443 1.821 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(Nc3ccc(C(F)(F)F)c(C#N)n3)C2)cc1 409725732 DFUXNHCBSKITSF-UHFFFAOYSA-N 412.393 2.466 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 430383502 IDXCFBZJJQJSSD-HNNXBMFYSA-N 405.476 1.388 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCN2C(=O)COc3ccccc32)CC1 466081130 ZZNWUACSGVIVJE-UHFFFAOYSA-N 420.473 1.601 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H]2c2ccnn2C)cc1S(=O)(=O)NCC#N 467733280 ZXQCFEFEOGEYHQ-KRWDZBQOSA-N 401.492 1.898 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 468184564 WMPHAXDMUSSJRZ-DYVFJYSZSA-N 416.434 1.207 30 10 HDEE CS(=O)(=O)CC1(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 473725492 QHIJZRFIQQHFFW-OAHLLOKOSA-N 407.517 1.613 30 10 HDEE CC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@]2(CCOC2)O1 478344512 PQODEIKAFNKDED-GMBSWORKSA-N 407.492 1.022 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@H]1C)CC2 480136463 OPACRMQPALNQSI-NVXWUHKLSA-N 408.510 1.903 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c3c(c2)OCCO3)CC1 492322051 VSADZRNUNWTQTL-UHFFFAOYSA-N 424.295 1.280 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 501953354 LAKVGYDALMKOKL-UHFFFAOYSA-N 417.512 1.632 30 10 HDEE C=CCNC(=O)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 506866968 YTKDPZUXIKSNPO-UHFFFAOYSA-N 416.341 1.736 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cc1C(N)=O 507540355 ZDULGRHDCVVYGQ-UHFFFAOYSA-N 415.471 1.898 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@]2(CCOC2)C1 508856611 LHBFIZPRELQLRP-OAQYLSRUSA-N 411.510 1.634 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)n1cnc(C#N)n1 539504159 SBULGWKQBMALOJ-OAHLLOKOSA-N 424.486 1.397 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@@H](C)n2cnc(C#N)n2)c1 545968115 YKGVSGYELGJPTD-CQSZACIVSA-N 404.496 1.997 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NC[C@@H]3CCN(c4ccccc4)C3)CC2)n1 546213573 IFXIMDGKDYQGRL-IBGZPJMESA-N 404.518 1.718 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 568705766 IOBFIUSYEBNRRI-IBGZPJMESA-N 404.474 1.980 30 10 HDEE C=C(C)Cn1c(CCC(C)C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 584220015 FBQGIRWSUVKUJH-UHFFFAOYSA-N 415.542 2.500 30 10 HDEE N#Cc1nccnc1N1CCC(CNC(=O)C(=O)Nc2ccc(F)c(F)c2)CC1 585227205 RDYSSWBAOQYMDZ-UHFFFAOYSA-N 400.389 1.598 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 598683355 GBRTXHZXEOHEGL-CJNGLKHVSA-N 402.520 1.759 30 10 HDEE COCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CCCO1 619853109 CIOBGQXFXOLLTN-HNNXBMFYSA-N 400.458 1.941 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccn2)c1=O 654765623 UYGUHPNZEKIWQJ-UHFFFAOYSA-N 403.463 1.885 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 669803587 LMBFUYVRFDIDFT-RDJZCZTQSA-N 408.462 1.613 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccco2)C1 669818482 UPXSNAXUSSDNFW-GDBMZVCRSA-N 407.496 1.384 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1OC 729427676 MZZNUHJSOHFUEO-SWLSCSKDSA-N 421.450 1.891 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(OC(F)(F)F)cc2)NC1=O 730271938 NQXFIAWYJULUCP-GFCCVEGCSA-N 404.414 1.872 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 732153283 GLFATTZMMVTXJG-ITZAQCPESA-N 416.865 1.331 30 10 HDEE N#Cc1ccc([C@H](OC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C(N)=O)cc1 734569524 QXJZJCSFPAXHIR-FQEVSTJZSA-N 421.434 1.990 30 10 HDEE CN1C[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCC1=O 738907021 TUETTWAELOINPR-IKBYJFNHSA-N 407.496 1.242 30 10 HDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 746295378 HKBWNDWGVZNDHK-BFQBXFRASA-N 411.506 1.230 30 10 HDEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccn1 746984912 QAISRNCNDKCRLR-UHFFFAOYSA-N 403.416 1.136 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=Cc2ccc(-n3cncn3)cc2)C1 749787777 YHMODESXTAIOSA-LJQANCHMSA-N 400.483 1.091 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cccc(S(N)(=O)=O)c2C)C1=O 754445342 OBBUHRSGPFKHRZ-IBGZPJMESA-N 424.523 1.958 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cc(S(N)(=O)=O)ccc3Cl)CC2)n1 760849411 UJHFQJCPIQEQKX-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Cc1ccccc1 762011276 RYWQDSSQLZWHRC-CABCVRRESA-N 413.499 1.820 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC[C@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 765051027 RSFLMCSXLAYTQH-AWEZNQCLSA-N 404.515 1.942 30 10 HDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1ccc(Br)c([N+](=O)[O-])c1 770747293 OCWZYPOEBVBQSD-UHFFFAOYSA-N 413.209 1.686 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CSCN2C(=O)C2CCCC2)n1 790104649 IHNUNIDSCCLTDE-GOSISDBHSA-N 404.536 1.583 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC#Cc1ccccc1 791240179 VIZHWYNQTFCGIP-KDOFPFPSSA-N 407.875 1.963 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1 794590857 XMPMXRJOFBDPNE-INIZCTEOSA-N 406.463 1.991 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)ccc1F 796152049 QXLRELXNVZWUJL-HUUCEWRRSA-N 411.455 1.756 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 804454128 MBEFAQFVDBBCMD-HNNXBMFYSA-N 401.444 1.915 30 10 HDEE CCN(C)C(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780554 CMYIADVRSCCGHX-UVTIVQHFSA-N 407.471 1.165 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C)c1cc[nH]n1 813652616 HYCZOGRMUMFCDG-STQMWFEESA-N 423.470 1.208 30 10 HDEE C#CCN(Cc1c(Br)cccc1C(=O)OC)[C@@H]1CCS(=O)(=O)C1 814627689 QPHSYRFAPJCOIB-GFCCVEGCSA-N 400.294 1.858 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 816691509 SRFVNUXTEFHOQC-BXUZGUMPSA-N 400.262 1.952 30 10 HDEE CC(C)(C)OC(=O)N1CCN2/C(=N/CCCNC(=O)c3ccccc3)NC[C@@H]2C1 849086738 MWBLOUGQOODXNK-QGZVFWFLSA-N 401.511 1.687 30 10 HDEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)C2)ccn1 856551742 YWQSGNANZZZBMQ-QFBILLFUSA-N 409.556 1.854 30 10 HDEE COc1ccc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1C#N 1132759831 HJUONRBHFILQRQ-UHFFFAOYSA-N 417.223 1.411 30 10 HDEE O=C(NCCNC(=O)c1cccc(C#CCO)c1)c1ccc(Br)cc1 1136368768 LEEHAUXBOGHNPV-UHFFFAOYSA-N 401.260 1.953 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCC1CCC1 1136634302 YOYNSLNDTLJRAW-HNNXBMFYSA-N 401.529 1.129 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(Cn4ccnn4)c3)C2=O)cc1 1139811759 VEXJRMCRAANAJR-FQEVSTJZSA-N 400.442 1.729 30 10 HDEE Cc1ccc(C(=O)NCc2cnc(O)c3ccccc23)cc1S(=O)(=O)NCC#N 1155726705 MSAKLJMAUKRRID-UHFFFAOYSA-N 410.455 1.981 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)ccc2c1=O 1161866578 XINYDTNDHSMALF-AGUYFDCRSA-N 419.528 1.709 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)C1 1177759044 KPTRSEJAFDMLKY-IBGZPJMESA-N 418.563 1.632 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(OC)cc2CC(=O)OC)cc1 1190445961 IXUUGBBOLZTALJ-UHFFFAOYSA-N 403.456 1.901 30 10 HDEE C#C[C@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(Br)cc1 1226784201 CVECYXPIUHEITQ-ZDUSSCGKSA-N 402.314 1.750 30 10 HDEE C#C[C@H](NC(=O)NC[C@@H](O)COc1ccccc1Br)C1CCOCC1 1253347770 IFEKCSUXEAPCPA-ZBFHGGJFSA-N 411.296 1.916 30 10 HDEE C=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)nn1 1264143229 WNJFDLOIMVWSHO-UHFFFAOYSA-N 402.480 1.967 30 10 HDEE CO[C@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCS(=O)(=O)C1 1269323373 CXIAVGGFSDGCRS-LJQANCHMSA-N 405.476 1.412 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 1271758379 ZXQZHRDWTQFFDN-OAHLLOKOSA-N 402.314 1.573 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3C(=O)OC(C)(C)C)cc2C1=O 1279053632 QDHIIGYHGSJRQJ-MRXNPFEDSA-N 400.431 1.651 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1286401349 QCRLEVQJRKUDAP-SIKLNZKXSA-N 413.522 1.262 30 10 HDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nnn(C)n1 1286457910 WZPPPVAXSKGOFQ-UHFFFAOYSA-N 406.494 1.406 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1286465801 BHXFOLWFIIKSED-MRXNPFEDSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)NCc2ccco2)CC1 1286474986 PMRVIQJEGPGMGL-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1cnn(C)c1 1286494762 OZFNCWCQMKJRCI-MRXNPFEDSA-N 401.540 1.858 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1 1286562388 RKJYHRWHTWLVDS-IRXDYDNUSA-N 403.508 1.556 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1286598803 DODHVKQPTNJPIO-DENIHFKCSA-N 418.586 1.723 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCc2ccco2)CC1 1286638564 FQAAJAVTVIVPPH-NRFANRHFSA-N 415.494 1.996 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1294886838 BFGRLLMTZWIKBS-NRFANRHFSA-N 410.478 1.339 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1295968241 CQTBKAYZAFDIOJ-UHFFFAOYSA-N 408.466 1.614 30 10 HDEE CCNC(=O)C1(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1296258119 YPVCEZGFQGDSAU-MGPUTAFESA-N 422.505 1.750 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2ccc(-n3cnnn3)cn2)C1=O 1297274039 QHMDHTZDSLYVHY-SFHVURJKSA-N 400.443 1.373 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccccc2OCc2ccncc2)CC1 1297516832 LNUGFYUHAXLPLC-UHFFFAOYSA-N 406.486 1.097 30 10 HDEE C#CC[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OC 1299177561 BWZQQBPRCYZJAY-OAHLLOKOSA-N 415.450 1.091 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@](C)(O)c1ccccc1 1300230242 YGNSRQCYPSDMNL-VBKZILBWSA-N 401.488 1.528 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@@H]1CCCO1 1300268637 UKYIVNACTVOCOE-SJORKVTESA-N 412.494 1.969 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(=O)NCC)CCC1 1300471708 LVURKWJULZBLRA-UHFFFAOYSA-N 414.535 1.645 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300699728 GQTSBNGMFDGKIT-OAHLLOKOSA-N 420.439 1.999 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1scnc1C 1300780742 VPTRTQOYJSACNI-RDTXWAMCSA-N 422.580 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300885027 NPXRWVGKBUBGBG-QZWWFDLISA-N 410.540 1.387 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1300885666 ROUYHBPKWVNSCR-ZACQAIPSSA-N 410.540 1.388 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(=C)CC1 1301509571 JGLUNIGADXQXHY-UHFFFAOYSA-N 400.508 1.728 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)C2)c1 1301633765 GJIRMBVZELZBQR-LJQANCHMSA-N 406.421 1.440 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)N1CCOCC1 1301802635 ABPOPKPCDLZMLK-SFHVURJKSA-N 423.521 1.904 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 1302529891 QAGMBVWQXILQAT-UHFFFAOYSA-N 401.463 1.996 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1302820133 XDKBNLUJAYXRRN-KRWDZBQOSA-N 412.446 1.888 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1ccccc1SCC#N)CCS2(=O)=O 1304735965 CHEVLHZYQVGDDC-BIWSTMPVSA-N 422.528 1.931 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1305115334 KYEFGPCFLOKDNM-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE C#CCOc1ccc(Br)cc1CNC1CN(S(=O)(=O)N(C)C)C1 1308481828 YWVHVEMTGZEDEX-UHFFFAOYSA-N 402.314 1.041 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(F)c(Cl)c2)CC1 1310686198 DALDRSXCBGUDKQ-UHFFFAOYSA-N 409.270 1.750 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1311929319 YJHFAUPLDPMQSZ-ZCNNSNEGSA-N 400.523 1.917 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)c(=O)nc1O 1313248975 COVKQHFHQDCJOK-HUUCEWRRSA-N 401.373 1.436 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1314861655 ZBWBKTMDBWHIFF-DLBZAZTESA-N 401.515 1.222 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1315815723 NVRIMJIULFWSNT-ROUUACIJSA-N 416.457 1.143 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1316496211 KJKCLRKRYMVWQL-VBQJREDUSA-N 423.477 1.419 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2COCCO2)CCO1 1316539604 DYSODTYOCXJJJA-ROUUACIJSA-N 417.441 1.530 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCOCC1 1358885879 SRZFFNDUADBXOC-OAHLLOKOSA-N 422.489 1.191 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCN(c2ccncc2)CC1 1358945488 ITXOTYPJQRGMCL-UHFFFAOYSA-N 419.537 1.355 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358956717 JVGJWIAAAMYUBY-WSTZPKSXSA-N 421.611 1.971 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Cc1cccs1 1358969007 DWPPSBJCOXQDRX-HOTGVXAUSA-N 419.576 1.901 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(OC)CCOC1 1358989395 ARKMNNVKBAFZNO-HSZRJFAPSA-N 422.485 1.985 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cccnc1OC 1359005013 RZQZYTXKDNHTAH-UHFFFAOYSA-N 415.461 1.832 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccc(OC)c(F)c2)CC1 1359034672 ZVASDJXHWUYREM-UHFFFAOYSA-N 421.480 1.881 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1359130974 DINFEOWITQRTJN-UHFFFAOYSA-N 417.558 1.818 30 10 HDEE C=CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1359209367 LDUUHAAFGCFWCW-AWEZNQCLSA-N 423.315 1.953 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1 1359235905 RSWMFVFIHLRQFE-IBGZPJMESA-N 422.507 1.134 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1CCN1CCCS1(=O)=O 1359279641 OCSARSCHUYQJQB-UHFFFAOYSA-N 405.524 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1359332662 CWWPYHNGXMJPRM-UHFFFAOYSA-N 423.583 1.669 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359341933 LABVPGHSENEYLF-HUUCEWRRSA-N 402.586 1.961 30 10 HDEE CC(C)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1360101175 HETHAQSQBYICBK-LJQANCHMSA-N 422.537 1.976 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)CCOC1 1360348090 SFNYQRISMDOPSC-LVCYWYKZSA-N 418.542 1.388 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCCCOc1cccc(C#N)c1 1438314540 ZZCQMATXVYXECN-MRXNPFEDSA-N 408.476 1.296 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)ccc1F 1439743120 OMUJFGMEJSWPSL-HOCLYGCPSA-N 412.483 1.558 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](C)c1nnc(O)n1C 1452567396 PPTLBMUDPSEVOL-VIFPVBQESA-N 424.255 1.810 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1455493493 JAYOROXFNNLYQZ-GJZGRUSLSA-N 403.545 1.634 30 10 HDEE C[C@H](C(=O)NCc1ccc(C#N)cc1F)N1CCN(C(=O)OC(C)(C)C)CC1=O 1456100943 OJQNDWCPPSJTOR-CYBMUJFWSA-N 404.442 1.781 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1456292054 NCTVMVXDTWLAEJ-HNNXBMFYSA-N 421.494 1.565 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1ccc(F)c(S(=O)(=O)N3CCOCC3)c1)C2 1461322041 WZEBUICDUGXFNY-UHFFFAOYSA-N 415.446 1.874 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](c2cccc(OC)n2)C(F)(F)F)C1=O 1461832701 SQUYVVALVMWCAV-LBPRGKRZSA-N 401.297 1.214 30 10 HDEE C#CCCCS(=O)(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1463746632 QDBRZRZVXZZXBO-MRXNPFEDSA-N 412.577 1.948 30 10 HDEE CN(CCOCCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)OC(C)(C)C 1464112999 FRQWMKOXVSKDKN-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE C=CCc1cc(CNC(=O)NCc2nnc3c(=O)n(C)ccn23)cc(OC)c1OC 1468360849 AWNSCJIWSBSMRA-UHFFFAOYSA-N 412.450 1.173 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1471851913 NNFNIOOFYVVXNY-ZUOKHONESA-N 414.466 1.388 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3C4CCC3(C(N)=O)CC4)C2)C1 1472172309 ABJCJAKXZXXLOS-ZAUZOASYSA-N 402.495 1.782 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2cc(Br)ccc2C#N)CC1 1472687994 QKYPXKFUHYOTBH-AWEZNQCLSA-N 409.328 1.984 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCC(n3cnc(C(N)=O)c3N)CC2)c1C 1473470843 GKPAQBUJWWWVKL-UHFFFAOYSA-N 423.521 1.765 30 10 HDEE COc1ccc([C@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(OC)c1 1473656347 WXCIQNLZAKRRRY-AWEZNQCLSA-N 413.478 1.871 30 10 HDEE CCN(OC)C(=O)CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1478872519 ZQEAWCZVBHYSSS-UHFFFAOYSA-N 411.466 1.190 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cc(C)nn1C 1503109892 WMGVZTVXAFEUFP-UHFFFAOYSA-N 421.509 1.498 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1503364906 LIPKXCWWVDUMBG-AWEZNQCLSA-N 403.874 1.591 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1504984772 USFDDOJXTPNMGB-CABCVRRESA-N 416.482 1.607 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@H]2CC(F)(F)CO2)c1 1505316617 DZNOLDAGIDVTIL-OAHLLOKOSA-N 402.405 1.567 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(OCCCOC)CC1 1507571445 BEELKYSMFVKRJR-UHFFFAOYSA-N 403.527 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCO[C@@H]1C 1507643794 RVGVJPSZXHNZGS-FZKQIMNGSA-N 418.295 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1 1507644774 NRMOLIDPBZOYFG-UHFFFAOYSA-N 408.487 1.203 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CC1 1507720386 KIDNJEJAALJITK-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1507731378 GYEXGMLCONWHAL-SFTDATJTSA-N 408.550 1.840 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1507837891 WVKPMLADZILYKP-OAHLLOKOSA-N 413.544 1.240 30 10 HDEE C=CCCCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507933628 QWXXKSCHEPHSTR-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccsc1 1508041955 WQEUSYXFWVHYRW-BEFAXECRSA-N 405.524 1.837 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508059197 QOSSIUNNBUZWOT-HOTGVXAUSA-N 409.556 1.355 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1508173405 AYLAQELUJBHOAL-UHFFFAOYSA-N 419.493 1.556 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510052485 NBVQGCWOHCUXFZ-LSDHHAIUSA-N 411.510 1.657 30 10 HDEE C#CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1nccs1 1514722712 XCOPTNFYCRUPBJ-UHFFFAOYSA-N 411.530 1.434 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1515855869 CSKBYJFUIKNMDT-MOPGFXCFSA-N 423.521 1.252 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OCCOC 1516609520 KCRJVHGOFIAZBC-INIZCTEOSA-N 402.455 1.012 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cc(C#N)ccn2)C1 1529300171 DSZWZZKBYPZJCZ-FZKQIMNGSA-N 406.464 1.173 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(C)c(C(=O)OC)o2)ccc1F 1534929724 QQWKUFVQIRAPLO-UHFFFAOYSA-N 410.423 1.908 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1=O 1536663149 IEKCRBJAEVPOGL-HXUWFJFHSA-N 418.453 1.655 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539221289 ZDYCQYLOXVSMRT-WZQKQDCOSA-N 412.581 1.014 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230327 LVUKAOOTFIMDTH-FHLIZLRMSA-N 416.551 1.422 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1539403570 SOZISWWVROWPKH-UHFFFAOYSA-N 411.915 1.234 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1539429887 FSJWBGAWKAOCLK-QZTJIDSGSA-N 402.543 1.042 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(C)c2)CC1 1539467287 QSSHLYGWDZRBGF-UHFFFAOYSA-N 422.533 1.739 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539586182 JCFRKRFGKPUJSN-KGLIPLIRSA-N 403.284 1.964 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)COc2cc(Br)ccc21)C1CCOCC1 1539806895 DJVULMHTRRCSNL-AWEZNQCLSA-N 407.264 1.719 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2ccc(Br)cc2C#N)C1=O 1540145572 YOAZEEJSYQIFER-DIFFPNOSSA-N 405.252 1.771 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](COCC)C1 1540862246 WHWLQQKJYPRJTM-MRXNPFEDSA-N 404.515 1.069 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1541112485 HWJWNLXNMYRHKM-GUYCJALGSA-N 407.478 1.159 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1541159106 BKBPWCWWAIDOJR-QZTJIDSGSA-N 402.543 1.948 30 10 HDEE CC(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1541308886 BWXYMWXEQZSMQM-MSOLQXFVSA-N 404.559 1.952 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1541764033 UGBLVDYKFPXTJG-PKOBYXMFSA-N 424.505 1.869 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccsc1 1541921479 QHCLWIHGSBCFTP-CYBMUJFWSA-N 408.553 1.932 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1541998199 WMBHAZRQQQSEEI-CVEARBPZSA-N 407.478 1.043 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCS(C)(=O)=O 1545546044 JGHZXBDMOPZICX-RDJZCZTQSA-N 424.571 1.029 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1547311614 BSGPKNWISHGWKW-NRFANRHFSA-N 407.478 1.011 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@@H](C)C2)CCOC1 1547917565 APCHKUMCQHDXHI-TVKQPGBESA-N 405.499 1.474 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC(=O)N(C)C 1555546297 RDELUSFGCLKTHJ-GOSISDBHSA-N 412.494 1.742 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@](C)(O)c1ccc(F)c(Br)c1)C(=O)OC 1556375382 IGUIAYWVMVIZIE-CJNGLKHVSA-N 404.232 1.656 30 10 HDEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)N[C@H]1CCN(O)C1=O 1556750858 YDCBZXHGNWMCAZ-KBPBESRZSA-N 407.471 1.483 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1 1557242822 FVTVMILNKGNZBE-GOSISDBHSA-N 414.506 1.691 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@H]2c2ccc(I)cc2)c(C#N)c1=O 1559155372 HCJWLJOZOLFCNW-ZDUSSCGKSA-N 422.226 1.891 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(F)(F)F)O[C@@H](C)C3)CC2)o1 1560117982 LGTFGTAUDOTHHV-WFASDCNBSA-N 415.416 1.545 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCc2nnc(S)n2C2CC2)CCN1Cc1ccccc1 1564996068 NTSRJWOMJUUKHF-QGZVFWFLSA-N 411.535 1.864 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 1569857033 CGLGVPSNSHFIET-LBPRGKRZSA-N 408.863 1.960 30 10 HDEE C=CC1(CC(=O)N2CCC[C@H]2C(=O)NCC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1570480467 NAGMIXLYABXUJB-AWEZNQCLSA-N 409.483 1.080 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1586110804 CRAGWKWDYXEPFZ-UHFFFAOYSA-N 408.483 1.432 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1 1588110193 ZFCZOQPGUINRSB-UHFFFAOYSA-N 405.849 1.609 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588298233 YLBXRHWGJQKJAA-GOSISDBHSA-N 412.519 1.700 30 10 HDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C1CC1 1588581207 KRBQZPUTNZMZCO-UHFFFAOYSA-N 402.524 1.968 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1588639080 ZHMGCYZVEHEEPH-OTWHNJEPSA-N 416.570 1.683 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(C)c1C 1588673588 TWVAMXPSIGBSLO-UHFFFAOYSA-N 418.505 1.693 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nncn2C)CC1 1588750057 BGWMWYSEZULUFS-LJQANCHMSA-N 404.522 1.752 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1589206887 CEZGBRSZHWJXLX-RDTXWAMCSA-N 405.524 1.046 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1595517202 SPUUYNVTSKIXPW-OAQYLSRUSA-N 408.462 1.115 30 10 HDEE C[C@]1(C2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2)COC(=O)N1 1596343946 WSPXFDBACPOAAF-LJQANCHMSA-N 420.491 1.229 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1596814592 XNKUUQSGPBFFFA-STQMWFEESA-N 420.495 1.036 30 10 HDEE C=CC(C)(C)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1616973746 PBQUWFCRYHNSAD-UHFFFAOYSA-N 405.476 1.656 30 10 HDEE CC[C@H](C#N)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1617460458 DDTXYUOSGSJJHG-OAHLLOKOSA-N 409.508 1.770 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NC1CCCCC1 1620026197 WNQZIUACRWWANT-WBVHZDCISA-N 420.514 1.180 30 10 HDEE COCCOc1ncccc1Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1620041052 WVHROCRFUQFIIQ-KRWDZBQOSA-N 421.461 1.537 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1620656217 GTYZHDNOZZLDTL-HUUCEWRRSA-N 403.545 1.776 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 1622379703 GXKPWVJGQWHGOZ-AWEZNQCLSA-N 411.423 1.687 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(C(=O)OC)cs3)CC2)cc1 1623515227 YJFZACLNSCDEFN-UHFFFAOYSA-N 418.496 1.663 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1631078762 JQDYWVKUXLUUHD-MAUKXSAKSA-N 412.494 1.924 30 10 HDEE Cc1nc2n(n1)C[C@H](NC(=O)C1CN(c3ccc(Br)cc3C#N)C1)CC2 1632334948 CHVLIJVXCMXYAU-OAHLLOKOSA-N 415.295 1.788 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCO[C@@H](C#N)C3)ccc2NC1=O 1632583957 ZCACGCSUDGNEHE-RDJZCZTQSA-N 414.462 1.829 30 10 HDEE Cc1ccc(C(=O)N2Cc3ccccc3NC(=O)[C@H]2C)cc1S(=O)(=O)NCC#N 1632669848 JKGHYWNHGQCXIY-CQSZACIVSA-N 412.471 1.780 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cn1 1632687232 DSRHBBCIZSZJQW-CYBMUJFWSA-N 415.475 1.632 30 10 HDEE N#C[C@@]1(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)CCc2ccccc2C1 1634340549 WTNHLFQRRIXMFW-LJQANCHMSA-N 402.451 1.452 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@]2(C(=O)OCC)CCCOC2)c1 1634433061 MHXRBWLMNHYUJZ-FQEVSTJZSA-N 407.488 1.573 30 10 HDEE C=CCn1cc(CNC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)nn1 1636331253 XYIQCGSSIUYZOT-UHFFFAOYSA-N 400.458 1.590 30 10 HDEE N#C[C@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636605247 OPRKWZGWYPWBDK-NXEZZACHSA-N 422.326 1.054 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1638975836 XWLLONBPUHBPCX-TZMCWYRMSA-N 406.426 1.917 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)nn1 1639561189 GXHWIMBEGVBZEX-ROUUACIJSA-N 406.446 1.672 30 10 HDEE C=C[C@@H](C)ONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1639673795 KOGLIPHOULOINK-CQSZACIVSA-N 422.507 1.149 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(F)c(Br)cc3N)C[C@H]1CS(=O)(=O)C2 1639821463 FBJZLWSQADSNNA-RMLUDKJBSA-N 402.245 1.181 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 1642024233 VKGRLXZKVRVCPJ-AAEUAGOBSA-N 405.398 1.405 30 10 HDEE C#CCN(CC(=O)N(C)CCOCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1643335326 VXNLIEAIEMBEBV-UHFFFAOYSA-N 413.515 1.856 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(C2CC2)c(=O)nc1O 1644550905 AWIIVZUBCSSORI-ZDUSSCGKSA-N 412.874 1.936 30 10 HDEE CCOC(=O)C[C@H](O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937743 MWLAVAJHLQZEPV-RNJXMRFFSA-N 413.261 1.930 30 10 HDEE COC(OC)C(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1647549120 NUCNVSVVZDEZAV-QGZVFWFLSA-N 402.495 1.393 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C[C@H](O)COc1ccccc1C#N 1648081337 GAITWEVFBRQDEC-KRWDZBQOSA-N 401.488 1.611 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)s1 1648916337 XTANXIQDCMYUFX-BETUJISGSA-N 414.549 1.991 30 10 HDEE Cc1onc(CC(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)c1C#N 1652597268 WQTIQEHDOASLOI-OAHLLOKOSA-N 412.450 1.801 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2c(OC)nn3cc(Br)cnc23)cc1 1669339205 LUOUIJJYAVEAOF-UHFFFAOYSA-N 421.276 1.960 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCn2c(Cc3ccccc3F)nnc2C1 1670882229 HQWDAUKBHHWGBK-UHFFFAOYSA-N 407.471 1.134 30 10 HDEE C=CCC1(CNC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CCCC1 1682501119 RGILXSUANCVNDZ-UHFFFAOYSA-N 409.556 1.881 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CCO2)cc1 1684465442 YTNUFTXIYDEVIA-VXKWHMMOSA-N 421.501 1.937 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CCO1 1686446839 RPROSTURUBDJNU-RTWAWAEBSA-N 411.462 1.736 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC=C 1689862565 CATADEMDGBYKMD-INIZCTEOSA-N 413.503 1.787 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N(C)C)CCOCC1 1689973911 UZNXAQRZRMZPFO-UHFFFAOYSA-N 416.551 1.450 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1690046980 JHGJESCZDKAMBY-ZWKOTPCHSA-N 404.536 1.602 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(N(C)C)cc2C)CC1 1690124231 HRFZEUAOKFKZQZ-HXUWFJFHSA-N 408.550 1.960 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1C[C@H](COC)OC 1690203314 YBKGKZPVIGTDFU-JLTOFOAXSA-N 401.467 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2oncc2C1 1690236559 OLDJRRHUOJYGNT-PBHICJAKSA-N 400.483 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690722426 IYIAWJKLRNQSFQ-QAPCUYQASA-N 419.551 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690722805 WJUQAFKKVGNFHL-LSDHHAIUSA-N 419.463 1.055 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(CCOC)CC1 1690725406 OZDUNQWTUWYSOX-UHFFFAOYSA-N 413.588 1.236 30 10 HDEE COCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1697867261 NBEUCRZKBJFOEQ-UHFFFAOYSA-N 407.482 1.756 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCOCC(F)F)c1 1698484014 CTOPRUKXAWCWQC-OAHLLOKOSA-N 404.421 1.800 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)no2)CC1 1705516049 SVIFBQDGZSLQDW-GOSISDBHSA-N 411.510 1.651 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1705563823 GFZQDWHGUOIXQB-KRWDZBQOSA-N 417.535 1.784 30 10 HDEE C=C(Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1705742418 UNUDPCKWSOOGDG-QGZVFWFLSA-N 420.535 1.950 30 10 HDEE C=C1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705761597 UCJVBSKLDYQXDF-UHFFFAOYSA-N 410.522 1.995 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(C(N)=O)nc2)CC1 1705776932 UMTIFLIRJMVBTI-OAHLLOKOSA-N 414.510 1.947 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705805860 QAKSYRIFGNKXIC-GJZGRUSLSA-N 416.569 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(CCOC)CC1 1705936738 XIKCJXJBQSYORV-UHFFFAOYSA-N 411.572 1.305 30 10 HDEE CCS(=O)(=O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1710901061 GTQIUVBLXUGMME-MRXNPFEDSA-N 410.544 1.241 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1711152775 BDCBPLFGWGMPLT-SFHVURJKSA-N 424.505 1.538 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC[C@@H]1C 1712090665 YUQCFPYKGVNDLT-LPHOPBHVSA-N 422.493 1.882 30 10 HDEE COCCCn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1712397806 ZSNSXHLKOPFJKA-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1722316659 KWUKBHQFGVQVOV-ZWKOTPCHSA-N 424.567 1.614 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1CCn1cncn1 1722355354 IMLNAHKDXHKHCI-UHFFFAOYSA-N 416.283 1.981 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1722370065 KUZACJZHOSBCOB-BRSBDYLESA-N 422.551 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(CC(C)C)CCO1 1722387933 RWFKJSDETAJVHV-LJQANCHMSA-N 414.554 1.236 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccco2)N(C)C)CC1 1722435264 JEUQOAOGCKFJPA-LJQANCHMSA-N 407.522 1.935 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722543329 OTCDGPVGANKQRA-KBPBESRZSA-N 406.936 1.768 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2CCCC[C@H]2C1 1722700980 BDSZWOOSUOTCSJ-KRWDZBQOSA-N 400.552 1.907 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1722706222 NMFKTMGSZPXXKB-BZSNNMDCSA-N 402.543 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CC(=O)N(C)C)CC1 1722727690 PXVYNODQOBBJMI-UHFFFAOYSA-N 409.556 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722728037 NDRYSLFSKNCNKY-LSDHHAIUSA-N 409.556 1.182 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OCC)CCOC1 1729164602 FYWQMQKCLUXDNY-PXNSSMCTSA-N 404.515 1.143 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1730497258 FSHCQMACDQCMHW-GJZGRUSLSA-N 402.430 1.025 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCOCC(F)(F)C(F)F)CCO1 1731190980 WUNVEGSVGLKRGB-LLVKDONJSA-N 415.351 1.381 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 1733605308 FIOXQLIJPADKKD-DJZPLQFYSA-N 400.523 1.095 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 1739627443 ZLLQRJNVHFCMQY-NHHWGVFUSA-N 400.519 1.822 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccnc1OCC 1740637921 DZZUROWSQFCPTB-UHFFFAOYSA-N 418.457 1.921 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCCCN1CCN(CC)CC1 1740640198 ZWRLGIPHMJIJEK-NRFANRHFSA-N 412.582 1.663 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC(=O)NCC(F)F 1740641845 PSXWBPXOXILVJQ-UHFFFAOYSA-N 401.417 1.332 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(OC)CCOC1 1740644833 WKBIZDCVOPPCEG-NRFANRHFSA-N 401.511 1.465 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCCn2cnnn2)CC1 1740690009 FXTCFYRIHBZJSK-HXUWFJFHSA-N 419.537 1.652 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCOC)CC1 1740705103 ASNSRRLCZXEPDB-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@@H]1CC 1740720640 GXBNZBAFLXMBRY-KRWDZBQOSA-N 423.546 1.598 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)COCCO1 1740766857 MRRGMCJYDPEHNW-WMLDXEAASA-N 401.533 1.096 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1741284984 OEWSZWWSGRJNFW-LJQANCHMSA-N 405.478 1.118 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1742113595 YCOYQTYXYSPNOF-PGRDOPGGSA-N 424.505 1.681 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1746973706 LLUGVCLYSFWGRP-GOSISDBHSA-N 407.482 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc2O1 1748639485 HXRXGSNARREUDX-ZNMIVQPWSA-N 419.507 1.186 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748788010 LHJIGBYPCGWXOF-KURKYZTESA-N 421.567 1.793 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2cnnn2C)CC1 1748999130 JMWRVLIIPDCDCJ-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C=CCN(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749498856 KUIOXKLKGBMVDX-KRWDZBQOSA-N 419.551 1.803 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749627579 RWXZZCSVSXLCCL-NEWSRXKRSA-N 402.543 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCNC(=O)C(C)C 1749667302 XNQODYAVPQLMAX-UHFFFAOYSA-N 423.521 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1749731287 ARWPXDZFXBHLOI-LUKYLMHMSA-N 421.567 1.845 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCOCCCO)CCN1C1CC1 1750387932 FJVKKGCRRSWSGO-SFHVURJKSA-N 416.551 1.506 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187751 FTMLADGVWVFEBG-MRXNPFEDSA-N 414.535 1.942 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760205628 GKGPKVFRGGJDGS-LJQANCHMSA-N 401.474 1.997 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1760279925 BMMJKLLEXCOVFJ-MRXNPFEDSA-N 422.580 1.399 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1nncn1C 1760348984 UXSXXIOEOWEVNX-INIZCTEOSA-N 414.514 1.577 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1760357995 LYWXNKIILGRNSN-ICSRJNTNSA-N 418.586 1.812 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760451390 HVHIXKUARVMRTR-GOSISDBHSA-N 418.542 1.836 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1760478803 SEIFGNYYXYXFIF-UHFFFAOYSA-N 419.493 1.657 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](COC)C1 1760553801 ZSGCYSIRFUEZCC-QGZVFWFLSA-N 420.535 1.706 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760607094 LWSTZYWATCURLO-KRWDZBQOSA-N 416.432 1.909 30 10 HDEE Cc1nnc(N(C)CCN(C)c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1762526481 GTWQYNFLSIJDDW-VXPUYCOJSA-N 409.494 1.686 30 10 HDEE CN(Cc1cccc(C(N)=O)c1)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1767093463 WELFBJQNNUBXLL-UHFFFAOYSA-N 416.445 1.927 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1767424041 FBTSVIYKQQJSGA-UIAACRFSSA-N 405.499 1.210 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1768245512 LEPZSSDXHUCAAM-IRXDYDNUSA-N 401.492 1.619 30 10 HDEE COCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1769660142 SZQOMGWMXALOAO-LJQANCHMSA-N 411.445 1.789 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CC(F)(F)Br)cc1 1770740033 HAZNCMVNGQSTQR-UHFFFAOYSA-N 411.210 1.741 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)[C@H]1CCN(C)C1=O 1848602026 LQJFPWRETNJLOA-QAPCUYQASA-N 423.510 1.472 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](C#N)CC2=O)c1C 1848781015 CTYSADVNFAAWFF-DLBZAZTESA-N 403.504 1.972 30 10 HDEE COc1ccc(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1OC 1851210942 UWFJXFXRCVMGJZ-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE CC(C)(CN1CCN(c2ncc(F)cn2)C(=O)C1)C(=O)Nc1ccc(CC#N)cc1 1851226144 NVALWJNXWODFDC-UHFFFAOYSA-N 410.453 1.995 30 10 HDEE N#Cc1cn(CCN2CCC(N3CCc4ccccc4NC3=O)CC2)c(=O)nc1O 1851656678 WFIUVVOLAITKFM-UHFFFAOYSA-N 408.462 1.375 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852458103 HRQGWFDAYZXCSZ-JKSUJKDBSA-N 408.414 1.678 30 10 HDEE COCc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccccc1F 1852504510 AVISDHSMFCHCMH-UHFFFAOYSA-N 422.424 1.177 30 10 HDEE Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3[nH]ncc3C#N)CC2)c1C 1853031435 BJOURPREJKDRFE-LJQANCHMSA-N 406.490 1.852 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CSc2ccc(OC)cc2)C1=O 1854241449 OASDFJDUAKARTB-QZTJIDSGSA-N 417.531 1.634 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@@H]1C 1854256355 MXTDYWADMRYMBB-YJBOKZPZSA-N 423.510 1.614 30 10 HDEE CC(C)Oc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854400922 FPANULUOHMOGIA-UHFFFAOYSA-N 419.503 1.924 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCCN([C@@H]4CCOC4)CC3)CCC2=O)cc1 1855278529 WXVVOKYKYYFASF-PZJWPPBQSA-N 410.518 1.734 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cncn2C)CC1 1855574474 RYASINKMUGISAR-UHFFFAOYSA-N 414.487 1.880 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)CC1=O 1855742172 HMQDPXGWNJYZCO-KBPBESRZSA-N 400.401 1.150 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nc(C)n3ccccc23)C1=O 1856739574 FEJGXBIEUAUKLD-MSOLQXFVSA-N 409.490 1.493 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3Cl)C2)CC1=O 1856805184 MVJCUZBNULOYHL-OLZOCXBDSA-N 414.867 1.222 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C(=O)C2)C1 1856839612 JOGJVYWOWBKBES-MOPGFXCFSA-N 414.506 1.184 30 10 HDEE C=C(C)CN1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856919411 NPPPBESFTLDCTH-UHFFFAOYSA-N 403.504 1.756 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@@H]1CCN(C)C1=O 1857239500 CDAXACKQJSEDJZ-VQTJNVASSA-N 408.502 1.585 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(C(F)(F)F)nc2)C1)[C@@H]1CCN(C)C1=O 1857264742 OSOQYRDAMZTYFR-DZGCQCFKSA-N 424.423 1.808 30 10 HDEE Cc1ncc(CC(=O)N2CC[C@@H](N3CCN(c4ccc(C#N)cc4)CC3)C2=O)s1 1857447311 QYLMXVXIRMOIDO-LJQANCHMSA-N 409.515 1.815 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2c(F)cccc2F)cc1 1858651695 FEUBVQWKVQLFQC-UHFFFAOYSA-N 423.441 1.998 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 1861205036 YGQCFCWKCHYDDS-FUHWJXTLSA-N 420.941 1.605 30 10 HDEE CC(C)(NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868775094 YZTCWTCJTVWQPU-MRXNPFEDSA-N 404.536 1.778 30 10 HDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CN2CCCC2)cc1=O 1870385479 ZJUOYCFPOLEUTG-UHFFFAOYSA-N 403.504 1.705 30 10 HDEE C#CCOc1cn(CCc2ccc(F)cc2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870560232 MZCIUTNWQDYKLN-UHFFFAOYSA-N 411.477 1.939 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2054408998 XSUZLHNZIXYFMR-ZWKOTPCHSA-N 409.508 1.739 30 10 HDEE O=C(N[C@H]1CC[C@H](C(F)(F)F)N(CCS(=O)(=O)C(F)(F)F)C1)C(F)(F)F 2165187980 JFVYDASWIHTMTK-NKWVEPMBSA-N 424.285 1.995 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)[C@H](C(=O)O)C1)C(F)(F)F 2180580158 ZDNDMXBBZNAJMT-SSDLBLMSSA-N 400.222 1.554 30 10 HDEE CC(C)(C)OC(=O)NCC1(CC(=O)N[C@H](C(=O)O)C(C)(C)S)CCOCC1 2195307636 XPSMTVPWFPNQCH-CYBMUJFWSA-N 404.529 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)Cc1cc(C#N)ccc1F)C(=O)O 2195344605 DSMBJPDPNLJJAW-AWEZNQCLSA-N 400.428 1.980 30 10 HDEE CN[C@@H](C#CP(C)(C)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2225387786 DLNJRCRMRDAGGX-KBPBESRZSA-N 406.485 1.971 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258161576 DYFABYVADUGIMQ-GDBMZVCRSA-N 414.480 1.219 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CSC[C@H]3C(=O)O)s2)OC1(C)C 2269036997 HCVLZAOYIXEUFK-VIFPVBQESA-N 405.328 1.196 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](CO)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320176 DYAHFNMYQYHIHL-CHWSQXEVSA-N 401.359 1.747 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@]1(C)CO 2282348185 IKBMTCADMFCLIU-PXAZEXFGSA-N 401.359 1.686 30 10 HDEE CCN(CC1(O)CCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282348659 NRIJNNPGONOLSY-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(C)(C)C1 2282349404 YEWPUGPSHSPZAQ-LBPRGKRZSA-N 400.375 1.666 30 10 HDEE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282416889 CEELDXJDKHGDFO-VXGBXAGGSA-N 405.322 1.795 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@](C)(O)CO2)c1B1OC(C)(C)C(C)(C)O1 2282499174 AYBYMBGHCSMSMC-INIZCTEOSA-N 403.331 1.351 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@@H]2[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282502500 MAIIGBQDZBBDDM-ZWKOPEQDSA-N 401.359 1.712 30 10 HDEE CN(C)CCCONS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502548 MUKPOZAGCGLXDI-UHFFFAOYSA-N 404.363 1.350 30 10 HDEE C[C@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282502552 MVDQDAAHQBLOPT-WBIUFABUSA-N 401.721 1.687 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282620184 BOYAAQDJTZOAJX-NSHDSACASA-N 402.347 1.338 30 10 HDEE C[C@@H]1CO[C@H](CO)CN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282640780 RSFBWYWWBBVUHY-MNOVXSKESA-N 401.721 1.923 30 10 HDEE C[C@@H](O)C1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CC1 2282829492 FPWCASITTRJJKN-LLVKDONJSA-N 401.721 1.831 30 10 HDEE CN(CCCCCN)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836125 GEHCRTVKCYJJDS-UHFFFAOYSA-N 403.379 1.333 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)S1 2282840323 GBWHKCAOPSVHBY-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848152 JYRNGWDXUGVXRP-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@@H]1N 2282853131 YPCOXTUVMYUOLA-YRGRVCCFSA-N 400.375 1.794 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1N 2282866738 OHAVYRWIUYQZDM-ABAIWWIYSA-N 400.737 1.607 30 10 HDEE Cc1nc(S(=O)(=O)NC2CCSCC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870116 NACNRKYEIFAWMB-UHFFFAOYSA-N 401.363 1.202 30 10 HDEE CNC(=O)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282871178 CJQTVSMXQHCZMB-UHFFFAOYSA-N 402.347 1.079 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](C)C[C@@H]1CCCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2282872730 AQVOKTQOWMKPBF-KBPBESRZSA-N 407.363 1.449 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2298375904 MWIZIQMJCWQMSB-UBHSHLNASA-N 418.303 1.447 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2302851192 AKLSEAVBXQDBQF-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE COc1cccc(C(=O)C=CC(=O)N[C@H]2CCCCN2[C@H]2C(=O)CSC2=O)c1 2320940927 XXQMEBCUDJYECU-MJGOQNOKSA-N 402.472 1.573 30 10 HDEE CCOc1c(Br)cc(C=Nn2cnnc2SCC(N)=O)cc1OC 2321266920 WCPGTVQMWSCPIS-UHFFFAOYSA-N 414.285 1.908 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@]1(NC(=O)OC(C)(C)C)CCSC1 2342036852 HYTWTGHXHTXERG-YOEHRIQHSA-N 402.582 1.946 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCC23OCCO3)n1C 2362571266 KVKIYNNBNMUKSS-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]1C(C)(C)C 2365198374 FPVPOYKGRHMOBM-KSMMKXTCSA-N 402.557 1.537 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2365205186 SIBAGJQYLXUPDE-JYJNAYRXSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805788 FGZKPGIAKKENQV-YZVOILCLSA-N 400.541 1.340 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367808438 CNSNFVKTQGRACT-PMPSAXMXSA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367815455 GTVKIVVPQBQHBD-QAPCUYQASA-N 400.541 1.163 30 10 HDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367825155 OPJRUASOFNZWNI-ZRGWGRIASA-N 400.541 1.292 30 10 HDEE N#Cc1cc2c(N)c(C(=O)N3CCN(C(=O)c4ccccc4)CC3)sc2nc1N 59371273 VAPNWWFVUBQOGQ-UHFFFAOYSA-N 406.471 1.931 30 10 HDEE O=C1NCCN1c1ccc(C#CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 96353211 XKNIWYAHDHXUQT-UHFFFAOYSA-N 400.416 1.454 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 96991930 UJMHWPGEAXCHKI-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccc(F)cc1 254443150 SXFLGAJDTFDFCV-UONOGXRCSA-N 414.480 1.330 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 410177867 JFTFJBHKVLRKGJ-GOSISDBHSA-N 405.520 1.333 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC[C@@]3(C2)NC(=O)NC3=O)sc2c1CCCC2 434777968 RIOAWWSWAVBMEY-IBGZPJMESA-N 401.492 1.501 30 10 HDEE COC(=O)CC1(NC(=O)Nc2cc(C#N)ccc2OC(C)C)CCS(=O)(=O)CC1 439221810 IMUMRWCZQYDJTJ-UHFFFAOYSA-N 423.491 1.977 30 10 HDEE COC(=O)Cn1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 462293886 JZESRLRASIFWQH-UHFFFAOYSA-N 404.448 1.160 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCS1(=O)=O 465492893 GKBLTMAYVIBCRY-UHFFFAOYSA-N 407.311 1.518 30 10 HDEE Cn1cc(C(=O)NCC2CCN(C(=O)NCCOc3ccc(C#N)cc3)CC2)cn1 466108729 RJRJVYZNKOOBLU-UHFFFAOYSA-N 410.478 1.522 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1 474766509 HVHCCNVLJQNUKC-SFHVURJKSA-N 419.503 1.274 30 10 HDEE C[C@H]1C[C@@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]1C 475722868 IZXYGCCGWZHWBY-FGTMMUONSA-N 418.563 1.758 30 10 HDEE N#Cc1ccnc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 477440897 CNWGBHNWJNKEIB-UHFFFAOYSA-N 400.460 1.545 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1nnc2n1CCCCC2 480111021 CIRAMHDBUSWEJJ-ZIAGYGMSSA-N 416.507 1.420 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)cc1C#N 489853547 SURQBORORFFFRR-ZDUSSCGKSA-N 408.505 1.297 30 10 HDEE C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2ccc(C#N)cn2)CC1 497460609 BNSDNKNZBVGYMO-QGZVFWFLSA-N 421.501 1.594 30 10 HDEE Cc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)cn1 504408775 VAKZOHQETYGJAE-UHFFFAOYSA-N 408.508 1.578 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)CN(CC(=O)N[C@@](C)(C#N)C(C)C)Cc1ccnn1C 507425626 VZYIEBSTCURMQM-OYRHEFFESA-N 415.542 1.331 30 10 HDEE Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 507981529 MXSOHNVISQKPKI-QGZVFWFLSA-N 410.478 1.341 30 10 HDEE C=CCn1c(CCC2CCCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 508511962 WFIHVDPXRMXKTO-UHFFFAOYSA-N 413.530 1.312 30 10 HDEE C=CCn1c(-c2ccccc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 508912030 JRVUFAGUOLQQCT-UHFFFAOYSA-N 410.522 1.420 30 10 HDEE N#Cc1cccc(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)c1 530670120 WHLBMWZXJGGSNI-UHFFFAOYSA-N 413.499 1.579 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3COCCO3)n2C[C@H]2CCOC2)CC1 550024894 OBQPACUQQUUGLN-YLJYHZDGSA-N 424.505 1.601 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)NCCOc3ccc(F)cc3F)CC2)n1 553412230 FHONODPFXMJRDA-UHFFFAOYSA-N 415.400 1.075 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 555272292 MIUGQPUDGXZBCP-SJLPKXTDSA-N 404.559 1.930 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 563325868 NZQWEWFONCUTCW-HNNXBMFYSA-N 414.514 1.665 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 571485774 UINSEYJMDMTNRZ-MJBXVCDLSA-N 401.558 1.127 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@]3(C2)OCc2ccccc23)cc1 574125770 RGVDMWYWGSLFDH-NRFANRHFSA-N 411.483 1.885 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1C[C@@H](C[C@@H]2COCC(=O)N2)c2ccccc21 583462311 DJORLDHHYKROQC-IAGOWNOFSA-N 411.483 1.950 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CN(C(C)=O)C(C)C)cc2)CC1 605418296 JYFMUCOCKFJLDQ-UHFFFAOYSA-N 415.538 1.895 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 609662036 LQXVXIFZMLKYEJ-HXUWFJFHSA-N 420.469 1.604 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1cccc(C#CCCO)n1 703985964 ZRKCXCGEHWOWEW-UHFFFAOYSA-N 413.455 1.244 30 10 HDEE COc1ccc(CN2C[C@@H](COS(C)(=O)=O)[C@@H](C(=O)OC(C)(C)C)C2=O)cc1 725238760 YWSXETBADWNIGN-GOEBONIOSA-N 413.492 1.588 30 10 HDEE C#CCN(C[C@H](O)COc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 731213497 DRFQEIBUWKNJAJ-CABCVRRESA-N 402.310 1.311 30 10 HDEE O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 732155499 CPYNCAJBTZJRFH-XTQSDGFTSA-N 419.437 1.939 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 733257517 SFVKLVNUBNTBBX-NRFANRHFSA-N 418.497 1.411 30 10 HDEE CC(C)[C@H](C)CNC(=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 740505359 AYLZNVZVWVRGCZ-PFKVCDDJSA-N 408.524 1.846 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2 742408880 DLHHBPOUCOXQPJ-HNNXBMFYSA-N 409.851 1.776 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]([C@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 748815428 MVRZIICQEWRJBT-WOJBJXKFSA-N 418.582 1.875 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCOC2)C1=O 751683442 UBCYOMYTZWSYAL-RDJZCZTQSA-N 415.519 1.347 30 10 HDEE Cc1ccc(-n2cnc3c2CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C3)cc1 753512038 GWFYGZYCVKSTCK-QZQOTICOSA-N 420.473 1.775 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NCc2cnn[nH]2)c1 754895072 NCISLHMXNLYFBK-JWGURIENSA-N 405.484 1.719 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)NS(=O)(=O)c1ccc(C#N)cc1)CC2 760964374 PKPKCGMSYDXGRR-UHFFFAOYSA-N 415.471 1.439 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)C(=O)c2nccn2C)cc1 770872219 XPLVRFLOCFEIMS-INIZCTEOSA-N 418.475 1.421 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152567 HEPSBVPNPAMRSP-SJORKVTESA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCCCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 774166152 ZXAGCVADMAULPM-GOSISDBHSA-N 404.536 1.794 30 10 HDEE C#CCN(C(=O)Nc1nnc(-c2ccc(OC)cc2)s1)[C@@H]1CCS(=O)(=O)C1 775832930 CKCNIALCAPNZPT-CYBMUJFWSA-N 406.489 1.868 30 10 HDEE C#CCN(C(=O)NC[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 776266617 VYAPIZZYKKTLML-UXHICEINSA-N 403.548 1.729 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)CCC1 784551169 PXHRZDGHFAPHPW-JYJNAYRXSA-N 403.508 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCOc2ccc3c(c2)OCO3)n1 788581131 SMFGNPJHPNBZKT-UHFFFAOYSA-N 400.435 1.482 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCS(=O)(=O)c3ccccc32)n1 791044446 LSCJDPLQXDBLEF-SFHVURJKSA-N 401.488 1.453 30 10 HDEE CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801846323 YLCMWTITVKXUIU-GOSISDBHSA-N 409.494 1.901 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(C)(C)C 811528615 KJWNQPRSDFKVPG-LJQANCHMSA-N 421.563 1.799 30 10 HDEE C#CCN(c1nnc([C@@H]2COCCO2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 812048268 MSKGGEYBFMFFSZ-MSOLQXFVSA-N 416.503 1.041 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCNC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 813241142 YKIWWUCQMDKJGI-CRAIPNDOSA-N 418.519 1.499 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 849579796 SGWUVKKGMRXOQE-ZWKOTPCHSA-N 404.478 1.855 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921193326 ZAFZKVNJMLNZHV-MRXNPFEDSA-N 409.531 1.006 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1c1ccc(F)cc1 1116382790 RNEMNTSZKXEBRP-QITAFNTKSA-N 401.442 1.397 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCO[C@]4(CCOC4)C3)C2=O)cc1 1127534582 UGFJRGJNKKIOJI-QLVMHMETSA-N 412.446 1.218 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)co1 1136064130 DQDIFCTYJLSWQK-UHFFFAOYSA-N 402.476 1.439 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCN3C(=O)CCNC3=S)CC2)c(F)c1 1140226362 JGPDUZVHKQTBRH-UHFFFAOYSA-N 404.467 1.564 30 10 HDEE CNC(=O)[C@H](CCSC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1141687133 JFNALUVAZGZDCW-LTWWHTJUSA-N 424.567 1.757 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCCC)[C@@H]2CCS(=O)(=O)C2)c1 1142043462 AABYLLMJZWLEHM-QGZVFWFLSA-N 411.545 1.913 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1146397178 VMDFJBNJULCMKB-ZBFHGGJFSA-N 402.513 1.375 30 10 HDEE Cc1cc(C(=O)N2CCOC[C@H]2C#N)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1146516342 BLTPTBXFSBHGAU-MRXNPFEDSA-N 402.476 1.165 30 10 HDEE N#C[C@]12CN(C(=O)CN[C@H](c3ccccc3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1157884375 HVGMSEJCXLPKAA-NUEKZKHPSA-N 401.410 1.276 30 10 HDEE CN1CC[C@]2(CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)C1 1158522241 ALOZWDHJPDMGSG-PGRDOPGGSA-N 409.490 1.708 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 1159903535 WUSFDOLJEMPQPJ-LSDHHAIUSA-N 404.492 1.624 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccn3)[C@H](C)C2)cc1 1159983600 MDUTXDWMOWKRJS-OAHLLOKOSA-N 401.492 1.292 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@H](O)[C@@H]2CCCO2)CC1 1166734087 SVXWBMGBVLDZOD-HOTGVXAUSA-N 400.435 1.679 30 10 HDEE C=CCCn1cc(CN2CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 1180006393 CACWRWNLNZEZGC-MRXNPFEDSA-N 406.531 1.707 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 1220419849 UBZKSHSDUCMFKJ-UHFFFAOYSA-N 406.489 1.936 30 10 HDEE N#Cc1csc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)n1 1227043677 RWLNSAHEPYCNHD-UHFFFAOYSA-N 417.875 1.585 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)nn1 1276646080 FAFLVPANARMDOQ-AWEZNQCLSA-N 407.471 1.320 30 10 HDEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)CC1 1277115851 VHHYQMNSSUQVHJ-UHFFFAOYSA-N 418.515 1.746 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1cn(C)nc1C 1282690723 MFDZQYSQPPUJGL-PWIGDYEPSA-N 400.523 1.890 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1286273869 KWFPLSWIQVCOOH-HZPDHXFCSA-N 419.551 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(C)=O 1286288028 FPBNVMBONULHHX-AWEZNQCLSA-N 407.478 1.176 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1286299126 SJBBYQAPNXKKRZ-NVXWUHKLSA-N 418.567 1.991 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1286303282 BUAJXTGPZLYWRI-WCXIOVBPSA-N 419.526 1.922 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1286362549 YVALJPXUGTWSEZ-KRWDZBQOSA-N 410.588 1.470 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286394357 OLVXVEGYRJHRDY-RTBURBONSA-N 414.531 1.765 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H](C)N1CCOCC1 1286404735 XJCZMRCSNMRTBK-GOSISDBHSA-N 423.517 1.756 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1286448368 SSMRFHJDZVEROB-GOSISDBHSA-N 407.584 1.906 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C1CC1)N(C)C 1286462679 QWSIAVKJLVQQLH-KRWDZBQOSA-N 414.510 1.432 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1286662183 ZVFGOCISRHCKCF-KRWDZBQOSA-N 418.567 1.968 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1286786756 YZTMRRQRMBTPMZ-UHFFFAOYSA-N 412.469 1.840 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCC)C1 1286804214 JIKAFNBOYIBDSO-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1286809834 LQHSXUXXEKJBSF-IRXDYDNUSA-N 415.494 1.976 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(S(N)(=O)=O)cc1 1287222294 FRNYDXMIHJEOQN-HNNXBMFYSA-N 404.496 1.020 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1288530802 ICUQEKSDKCCWRJ-HNNXBMFYSA-N 416.457 1.593 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1c1cccc(Cl)c1 1289436896 QHRKRLWQRJNIRL-VGDUNAEUSA-N 421.906 1.256 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 1289624188 DTNNNEJMBIOAFC-SFHVURJKSA-N 403.504 1.167 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 1292881690 TXJZJLNPWOYKEL-SJKOYZFVSA-N 407.879 1.994 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1298754687 FOIQKPPOLIOGIG-HUUCEWRRSA-N 404.410 1.756 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1300290756 OTEOMGLQBISZEQ-CYBMUJFWSA-N 402.476 1.709 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1300320773 JWGJZMOVQIVQHF-KRWDZBQOSA-N 411.506 1.906 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)SC)CC1 1300685174 IKHIEGZUZJSECX-YLJYHZDGSA-N 407.584 1.825 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1300755136 MFUMYGUQZDAMPM-UHFFFAOYSA-N 409.523 1.162 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300887402 BZCVNHZFCYPEQD-LFRPXUGBSA-N 416.526 1.636 30 10 HDEE C[C@@H]1CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@](C)(C(F)F)O1 1301081515 QSOKFVPZCMCMAK-DIFFPNOSSA-N 401.435 1.386 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)C1 1301543616 NOAKPBATLXGVTP-ZDUSSCGKSA-N 423.315 1.905 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC(=O)N[C@@H]4CCCC[C@@H]43)n2CCOCCCO)c1 1302982243 HMAVQXHMOJKEAQ-MOPGFXCFSA-N 424.505 1.463 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCCN3Cc3cccc(F)c3)C[C@H]1CS(=O)(=O)C2 1304270330 DZQRMHZXJNNIJY-ILZDJORESA-N 405.495 1.577 30 10 HDEE COC(=O)/C=C\[C@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1305797559 JHPFXLOYNXRTIL-NYHXXUGCSA-N 407.492 1.519 30 10 HDEE C=CCCn1cc(CN2CCC(n3nncc3I)CC2)nn1 1308862631 AVQATSLGJLGJSA-UHFFFAOYSA-N 413.267 1.887 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3cc(C(F)(F)F)ccn3)C[C@H]1CS(=O)(=O)C2 1312784973 LMLXZFGRSNXXCP-WFASDCNBSA-N 402.398 1.223 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(F)c1 1315496129 BJQMYBHSSNAJBI-HIFRSBDPSA-N 421.498 1.972 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1)OC 1315793327 IZOABSAEZXRVKA-OALUTQOASA-N 422.493 1.911 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 1358761514 MTVSMSYCQAPCLR-SXOPZADCSA-N 408.502 1.389 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1358919224 WLQMRXLHTQBHJT-MRXNPFEDSA-N 407.540 1.331 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1358925158 VLUQQRZWMUPFON-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1358965395 UJMZRZRBRJNNKD-QGZVFWFLSA-N 410.503 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(C(N)=O)CCOCC1 1358971657 DMLXLCVOXSRKBJ-UHFFFAOYSA-N 407.474 1.309 30 10 HDEE C#CCN(CC)c1nnc(CC2CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1359012600 SKUPQCREEATJDX-UHFFFAOYSA-N 401.555 1.960 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1359014142 YMOFFLIKBJLVGG-IIBYNOLFSA-N 400.479 1.865 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ncccc2Cl)CC1 1359036208 QEUVTSUNSABGGE-MRXNPFEDSA-N 416.913 1.665 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(O)CCSC2)CC1 1359040275 NYWFQYFRIBVYQN-HXUWFJFHSA-N 405.568 1.409 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359287590 MZGKXDMFZYOXRD-KRWDZBQOSA-N 421.567 1.595 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CCN1CCOCC1 1359296576 NMZOMQFTEQDCCY-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2ccc(OC)cc2C1 1359304287 TYMZTZDWUYIJME-UHFFFAOYSA-N 424.505 1.274 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)OCC)C1 1359321471 GSGSBEGQXJSRIR-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnnn2C)c1 1361161910 BYXDENZGAPWFCG-QGZVFWFLSA-N 408.466 1.380 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)cc1 1450172274 XPRLSZFYYOSEQN-KRWDZBQOSA-N 417.443 1.410 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1C[C@H]2C[C@H]1[C@H](CO)C2 1457172413 FUUPXMXUQMBKQF-FZMABENVSA-N 419.547 1.807 30 10 HDEE C=C[C@H](C)ONC(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1469733069 NTXHLFYHRDMBAQ-ZDUSSCGKSA-N 404.492 1.778 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)cc1 1471908036 IQHWUABVXYOONQ-IBGZPJMESA-N 407.492 1.502 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CC(N)=O)n(-c2ccc(F)cc2)c1C 1473557727 FUDJMUBQXXOUFS-QGZVFWFLSA-N 413.453 1.620 30 10 HDEE C=C[C@H](CO)NCC(=O)NCCN1C(=O)S/C(=C\c2ccccc2Cl)C1=O 1473668754 QVRSUIYRXRAUMN-MLJKTZRHSA-N 409.895 1.629 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@H]2CCCO2)CC1 1473840916 PVSIWGZIGUVIEE-IPMKNSEASA-N 418.563 1.727 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1476106014 MTDXSVYRLPXZTC-QGZVFWFLSA-N 404.536 1.890 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1477447631 CCRKVYXIXMPOPK-UHFFFAOYSA-N 424.401 1.926 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1478404530 SKNWETMSBVQHFD-JYJNAYRXSA-N 407.515 1.692 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1478504283 GMMYPSASEPFPSM-BZSNNMDCSA-N 406.508 1.359 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2ccccc2S(C)(=O)=O)n1 1479274241 OMVACDJTORNJJK-UHFFFAOYSA-N 418.519 1.321 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1494595291 WMARNNNMDIXEEB-UWVAXJGDSA-N 410.522 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1occc1C 1507515411 ULALXXDRPUJKNX-MRXNPFEDSA-N 412.494 1.694 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cn(CCCC)nc1C 1507517302 PERAUUJFYHQJJO-GDBMZVCRSA-N 421.571 1.700 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)OC 1507701244 ASYXJPXTOCHOBS-DOTOQJQBSA-N 420.510 1.994 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1507731272 FBLKWJUAOCISLP-LAUBAEHRSA-N 415.563 1.897 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1507753050 HXSSZNKUXBATME-OAQYLSRUSA-N 424.530 1.797 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC(=O)N2)CC1 1507888091 JEWLKBOUIUYGTE-CQSZACIVSA-N 400.508 1.705 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1507888444 FWNMXCRZWKPKEU-SFHVURJKSA-N 416.551 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2cc(OC)c(C)cc2C1 1508079774 CYUORQBOFNEJBY-UHFFFAOYSA-N 419.489 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCOC[C@H]2OC)C1 1508107604 BDWUHQLKBPBBDU-BRWVUGGUSA-N 407.515 1.249 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCOC2)C1 1508116311 ISMHAXFNHGOCIL-RXVVDRJESA-N 400.479 1.886 30 10 HDEE CC(C)(O)CCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1508723865 RVWBDFSNYNOPAP-UHFFFAOYSA-N 419.493 1.489 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1510111534 HMALLMUEQBVJDY-YOEHRIQHSA-N 419.507 1.101 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1 1517326967 PZDJQJXMVKDBCC-UHFFFAOYSA-N 408.506 1.932 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1518750569 SFYOYBDSXVNXRH-SFHVURJKSA-N 424.484 1.861 30 10 HDEE C=CCOCC(=O)N1C[C@H](C)OC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1522348625 DZCFMSAPNBCZRT-UQZKUAJDSA-N 404.507 1.221 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1529123324 AQYLCDQBTQAQFG-JQFCIGGWSA-N 420.491 1.228 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCc2nc3c(s2)CCC3)cc1 1534415885 GEHDFKBDVZVAAP-UHFFFAOYSA-N 404.517 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(-n2cncn2)nc1 1538973489 NYTUFYLOJILBCB-HZPDHXFCSA-N 410.482 1.484 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CSCCS1 1539238583 ZWXWNMKVTNFODT-VQIMIIECSA-N 406.577 1.852 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1539268402 OXSDXUNCRVRCLK-OAQYLSRUSA-N 401.580 1.757 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCS(C)(=O)=O 1539279223 YUZHXGYHAFGMRA-UHFFFAOYSA-N 418.544 1.696 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1539343215 HIXUHMGLUKOEGJ-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(C)c1 1539369973 QQQUDYALUDRLLO-SFHVURJKSA-N 417.535 1.427 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H](C)N1CCOCC1 1539402717 HRSQSRYROUMFKV-MRXNPFEDSA-N 418.929 1.800 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(CN(C)C)c1 1539408890 HBCKXGTZGYQOSS-UHFFFAOYSA-N 405.506 1.931 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)[C@H](C)CC 1539416873 UGIGULCPIBEJQA-MDZRGWNJSA-N 412.556 1.063 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCN(CC)C2)CC1 1539427396 DJCUCSFCTNQRJW-GOSISDBHSA-N 415.586 1.294 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539488578 BFCAWYYYDYDEGJ-IRXDYDNUSA-N 419.551 1.265 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1539505089 UTQBWONGVCQGEU-OAHLLOKOSA-N 407.507 1.883 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOC 1539631311 KRQVYWIJHJEAQY-IKGGRYGDSA-N 412.556 1.634 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCOC1 1540201282 ROCUZLFIODJPJZ-FQEVSTJZSA-N 408.449 1.937 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)c1 1540585675 SKHHRSMOSIWENY-QGZVFWFLSA-N 408.545 1.771 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC(C)(C)C)C1 1540873729 HXAPEJBEWTVVPZ-INIZCTEOSA-N 418.542 1.487 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540908217 RWBDIUAYVJJBCY-HUUCEWRRSA-N 404.540 1.148 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(N)=O)cc1 1541654533 DCHUGJDJSJTVPM-UHFFFAOYSA-N 409.494 1.694 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CNS(C)(=O)=O)c1 1542087886 JKKZUPJZZMNSRY-INIZCTEOSA-N 412.533 1.028 30 10 HDEE Cc1ccnc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1545417044 SHJQFVFBRUYFBK-UHFFFAOYSA-N 402.451 1.789 30 10 HDEE CCCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CC2)cc1OC 1547268317 AYFIVZOORLBGAK-INIZCTEOSA-N 413.478 1.996 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1555321926 ANDOWKBUYGEEQH-GOSISDBHSA-N 422.489 1.790 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)c1 1556415104 KNTXCPLNBFNDGS-GOSISDBHSA-N 414.531 1.924 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NCC#C[C@H]3CCCCO3)c([N+](=O)[O-])c2)CC1 1559300018 YADUPLHHIFLUTE-MRXNPFEDSA-N 422.507 1.515 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)CC1 1562434160 HBBMNJOSTHBSMO-UHFFFAOYSA-N 413.927 1.983 30 10 HDEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564510203 ZYEGNUYYFKYVES-CQSZACIVSA-N 409.446 1.516 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1564981465 ODJAQEJTSIXECJ-UHFFFAOYSA-N 421.567 1.947 30 10 HDEE CCCOc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c(OC(F)F)c1 1566256040 BVNIDWWSIFWUJH-UHFFFAOYSA-N 422.388 1.917 30 10 HDEE CC1(C#N)CN(C(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)C1 1568395957 QWQUEOPBTZVNBL-FQEVSTJZSA-N 409.483 1.706 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C2=O 1583811838 NQWJWARWHQYTRI-GXPWMBGSSA-N 412.490 1.941 30 10 HDEE C#CCN(C(=O)[C@@H](OCC)C1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585666983 CHMPBBUQZGHMRQ-BCRJPVCJSA-N 400.519 1.678 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC(F)F)OCO2 1587979618 VDALEJYSAFRYRD-LBPRGKRZSA-N 419.388 1.677 30 10 HDEE Cc1nc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)cs1 1588044040 JTMQYSOTRADKJQ-UHFFFAOYSA-N 422.507 1.846 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)CCc1cnccn1 1589442507 AXDSSJJCKZAQNL-UHFFFAOYSA-N 420.315 1.778 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1594773735 DXBDLGBVDBFEDV-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N1CCSCC1 1595014075 QJACFIINCAEZNX-CQSZACIVSA-N 401.558 1.130 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595517515 ZYGRWRCEMZQGSM-SJORKVTESA-N 421.461 1.054 30 10 HDEE CC(C)CCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1607241483 YHWZVFPZNWJPIA-GOSISDBHSA-N 410.526 1.974 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1608141961 ZVOKJUFDYSLGGA-CZIZESTLSA-N 424.509 1.330 30 10 HDEE N#Cc1csc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 1611469559 BMYRIVBLUYXGBA-LBPRGKRZSA-N 408.480 1.871 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(C(=O)OC)cn2)cc1 1611496662 NSVAKNZBESEHLC-UHFFFAOYSA-N 401.444 1.052 30 10 HDEE Cc1noc(CCCn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)n1 1612642280 BZGSTMWOAKIAJP-HXUWFJFHSA-N 412.498 1.855 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Br)cn1 1616949746 DCARFWOMTVAOHM-ZDUSSCGKSA-N 410.276 1.203 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 1618231300 ZUICOYIRVUTLIN-UHFFFAOYSA-N 406.335 1.944 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N(C)C)cc1 1619321899 AQBUOWLQPMMCRY-MAUKXSAKSA-N 400.483 1.545 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1619615658 HXRDTFYOHXUJAA-DOTOQJQBSA-N 400.458 1.893 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@@H]1C 1619984228 ZJSLBEDJQQVSOG-ROUUACIJSA-N 420.558 1.853 30 10 HDEE N#Cc1cccc(CNC(=O)CN2CCC3(CC2)CNC(=O)c2ccccc2O3)c1 1620577140 VVBUOOBZOPGDDE-UHFFFAOYSA-N 404.470 1.831 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(Cc4ccccc4F)n3)C[C@H]1CS(=O)(=O)C2 1626655391 FEMXDISEBOXIKE-UGSOOPFHSA-N 405.476 1.883 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(Cc3cccnc3)CC2)c1 1629410297 VKGTVEDZOMYPMV-UHFFFAOYSA-N 416.478 1.912 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1N)[C@H]1CCS(=O)(=O)C1 1630830212 MSSXHKUQWFRAOS-NSHDSACASA-N 418.256 1.136 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1634188201 OWBIODKNNKTKRZ-OXQOHEQNSA-N 400.435 1.027 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 1634977931 OBUGEICLQHPDPT-UHFFFAOYSA-N 411.466 1.224 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CC[C@@](O)(CC#N)C3)c2)C1=O 1635181461 FSHGGMZMEHNGTJ-RTWAWAEBSA-N 411.462 1.472 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCCS(=O)(=O)N3CCCC3)C2)nc1 1638906327 PPRKXUORKNEHSC-KRWDZBQOSA-N 405.524 1.562 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)CC1 1639094705 DRTWSAWDTDFSFP-UHFFFAOYSA-N 411.550 1.152 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)C1=O 1640977166 VQDHHAHEGRDKQG-HUUCEWRRSA-N 403.504 1.642 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)NCCC2=CCCCC2)c1=O 1641325821 PYUFTPYWVQKMIR-UHFFFAOYSA-N 416.478 1.230 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1642028239 WQPKSXFQRCXPDG-IBGZPJMESA-N 423.470 1.209 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1642544933 MLWUIZVDAUGAFO-PPYMECGQSA-N 411.451 1.375 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NOc1cccc(C#N)c1 1642628465 JGTMRLBBFUMKAV-UHFFFAOYSA-N 408.457 1.100 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1 1643370506 ZJIIKZIDGJANAW-UHFFFAOYSA-N 408.483 1.451 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1cc(S(=O)(=O)N3CCSCC3)c[nH]1)C2 1644202790 UFHPAYGISJPJFL-UHFFFAOYSA-N 402.501 1.780 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cccc3ccccc23)CC1 1644285596 RVDMALOJEQHVLG-INIZCTEOSA-N 401.488 1.219 30 10 HDEE C#CC[C@H]1CCCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1646392124 MEYYBJIRNMZVRL-LBPRGKRZSA-N 417.487 1.722 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC=CCC1 1648790766 UEPKFEHOVJIWIK-FQEVSTJZSA-N 400.435 1.272 30 10 HDEE C#CC[C@H]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1654762666 SDNYKMGYCPRFOV-NSHDSACASA-N 403.460 1.332 30 10 HDEE CCOCCOC1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672352556 ICPQPMRRDNCGBV-HXUWFJFHSA-N 414.506 1.886 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2OC(F)F)CC1 1676036065 HZRNYFJVAUVVRR-UHFFFAOYSA-N 422.841 1.559 30 10 HDEE CC1(C)[C@@H](OCc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1680385751 QDEANLPAHLDTDJ-NYUBLWNDSA-N 417.531 1.950 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1C1CC1 1681226410 HHRBJEFETUFPCT-CAOSSQGBSA-N 406.483 1.586 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1689897707 FVTWOTSJGBVSLG-UHFFFAOYSA-N 423.565 1.714 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)C(=O)NC)CC1 1690128455 DMSIEHSGUVUJEU-UHFFFAOYSA-N 415.567 1.161 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1 1690237143 VZOJEUTYVWYLQF-ROUUACIJSA-N 416.526 1.164 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(CC)Cc1cnn(C)c1 1690328104 FBSBYGYDLAQTGS-GFCCVEGCSA-N 401.924 1.401 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690496415 PTHNCCJGGSBIRF-OAQYLSRUSA-N 421.542 1.580 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690655053 FNAGHYUGJHAMMX-OWCLPIDISA-N 416.526 1.855 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1690717865 SKNVQIKCRDDTFW-ROUUACIJSA-N 413.503 1.785 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)no1 1692996149 CXIVEAKSMHPTKQ-GOSISDBHSA-N 405.418 1.802 30 10 HDEE CCC(CC)(Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)OC 1694261507 HJZDDETXHWSGTE-HNNXBMFYSA-N 413.482 1.859 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1695867399 ANVPDQQBKVZCTM-IRXDYDNUSA-N 404.563 1.181 30 10 HDEE CCOCc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1696232183 HOHYGWAZHIODTB-GOSISDBHSA-N 412.494 1.730 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC[C@H]1C 1697679058 VNIXZTHGARFPPJ-VQIMIIECSA-N 424.505 1.537 30 10 HDEE COCC[C@](C)(O)Cn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697922913 DWSNFALPSVEDGF-NRFANRHFSA-N 413.526 1.782 30 10 HDEE COCCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1697967898 JSYRDZLMBZIWHI-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@@H]2CCCO2)C1 1698484869 WMPMWEVKFHRYGE-KXBFYZLASA-N 401.446 1.763 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)CC1 1698489915 CSBDWGQQQDMGTB-UHFFFAOYSA-N 418.404 1.795 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1705598315 HBADCNWRYOQOIX-HOTGVXAUSA-N 417.560 1.903 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1705612500 HUWSJUFTROFJAX-QGZVFWFLSA-N 404.492 1.685 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705889775 CYNNRGAKLJWBOY-GOSISDBHSA-N 408.506 1.615 30 10 HDEE Cc1cccnc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1707688242 GFJYZALBPNTCDT-LAUBAEHRSA-N 412.494 1.799 30 10 HDEE CCc1nnc(N2CC[C@@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709082034 NODVPWSMFYCILV-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722334063 SNSRHSSRSHAFMY-DLBZAZTESA-N 409.556 1.699 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(C(=O)NCC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722358108 DQGKCQKYGIMMIL-MRXNPFEDSA-N 421.567 1.335 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1722413846 KXFNDGRGOOUSDR-INIZCTEOSA-N 416.432 1.595 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCCCO2)CC1 1722431398 JWQDYMLKBUCTQM-SFHVURJKSA-N 423.521 1.640 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@H](C)C2)CC1 1722432549 AYHUIMYJRHNOSY-DXIQSLLYSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(OCCOC)CCOCC2)CC1 1722437673 OSTLSHKXXKDGBP-UHFFFAOYSA-N 419.570 1.444 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722454611 FDFVISVXRLKYIH-INIZCTEOSA-N 420.564 1.225 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1722688481 CTNIKOLXGVIZJU-ZWKOTPCHSA-N 410.522 1.837 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1729176822 DEJFEKSOWXDICJ-SFHVURJKSA-N 422.493 1.625 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnnn1C 1729376051 PZFBKXXBAXGGSM-UHFFFAOYSA-N 407.482 1.344 30 10 HDEE COCC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1730416730 CUURDVLFHSDTOT-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1730481505 QCDVUHARNPSLSF-XLIONFOSSA-N 401.442 1.797 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740579387 OGTDTTKWNPHLQK-CQSZACIVSA-N 404.496 1.208 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CC1(O)CCS(=O)(=O)CC1 1740613924 YFPURWMBVIHABJ-UHFFFAOYSA-N 418.519 1.175 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCC(=O)N1 1740681520 OERBPSGBGNPNPD-QGZVFWFLSA-N 404.474 1.858 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1740684152 XKPRRXQPPARZOW-HSZRJFAPSA-N 422.533 1.589 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2cccnc2OCCOC)CC1 1740698545 WSIJZNPURUZNGW-UHFFFAOYSA-N 410.522 1.454 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1740750151 MOBKNBJHKQSUOK-QZTJIDSGSA-N 403.527 1.704 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1740761458 WUJKTWKUYUTELC-APWZRJJASA-N 417.535 1.480 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1740786160 RVQQBXJVSOTTOO-DNVCBOLYSA-N 404.471 1.776 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(CC)noc2C)CC1 1740818720 ROFASLOCDBDABQ-ZDUSSCGKSA-N 408.528 1.952 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1740996087 FZMMILIOCMYNRM-KGLIPLIRSA-N 417.601 1.811 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1748651002 HCNGXARFIVLGEM-AWEZNQCLSA-N 412.519 1.897 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1748812161 RCTABARXIQHJBN-MRXNPFEDSA-N 412.475 1.312 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1748847108 OWUGTVKQHLQLBT-NQIIRXRSSA-N 415.563 1.063 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1748912453 DHMJVKLEJWVVTJ-OAQYLSRUSA-N 405.543 1.237 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](F)COC 1748965307 RLTDXPCIMZNYJO-CRAIPNDOSA-N 404.442 1.861 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749039637 XWCDYFRETGMWKQ-DLBZAZTESA-N 403.552 1.740 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1749066977 OFCDBFVRKKCCRF-NJNPRVFISA-N 415.538 1.659 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)CC)C1 1749703899 RCTCIRHHCLBGCG-KRWDZBQOSA-N 405.524 1.666 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(OC)cc3)n2CC(=O)N(C)C)C1 1749718905 JUGRGUHCEXQHIJ-GOSISDBHSA-N 415.494 1.735 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](N2CCCC2)C1 1749740741 YGGGGMHLBTXGHX-KRWDZBQOSA-N 411.572 1.480 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCS(=O)CC2)n1Cc1ccc(C#N)o1 1750157430 WRHHSVBSPZUFFY-BBRMVZONSA-N 405.480 1.084 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760155989 QOLRAEOYKLKDSS-UHFFFAOYSA-N 418.505 1.803 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1760165112 JTOBSEVNKKDAHW-JOCHJYFZSA-N 409.490 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1760214267 HTFMBZJXEWPVSU-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(S(C)(=O)=O)CC2)CC1 1760258310 KKOBTJZWIGIOFD-UHFFFAOYSA-N 413.547 1.586 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1760296811 YXDVSOFMAOJGIL-HXUWFJFHSA-N 419.526 1.892 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1760427869 KERBMGIMXMSMJX-OAGGEKHMSA-N 407.540 1.251 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760525536 JBJRXBPNKJOKNG-AWEZNQCLSA-N 417.539 1.028 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)s1 1760553944 MQSLBZGTNFCKFE-HNNXBMFYSA-N 423.564 1.836 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)C(C)(C)C 1761366465 AZRYILUFLNTAFL-AWEZNQCLSA-N 411.510 1.679 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CCN1S(C)(=O)=O 1762767012 GZGAUNHQAYOZFL-KEYYUXOJSA-N 400.508 1.868 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763522561 XTQTWLOXWDBCMZ-MXLIYFDZSA-N 423.477 1.482 30 10 HDEE CCN(CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C1CC1 1766915600 RRVUZESPFCABKC-NQIIRXRSSA-N 418.542 1.532 30 10 HDEE CCOc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1767521030 CEYBAKXSVJPWNN-QGZVFWFLSA-N 423.477 1.863 30 10 HDEE COCCOCCn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1770169675 JGRKDDVZXPIMAT-UHFFFAOYSA-N 413.526 1.832 30 10 HDEE N#Cc1ccc(Cn2c(CC3CCCC3)nnc2N2CCC(OCC(N)=O)CC2)o1 1770740482 QYWNNXINIMARNT-UHFFFAOYSA-N 412.494 1.994 30 10 HDEE COCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771274047 MDAXWPSKFMVBMH-SFHVURJKSA-N 411.510 1.488 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CCO1 1771537780 VJZHSGMHRVWIAH-CABCVRRESA-N 407.521 1.213 30 10 HDEE CCOC(=O)C1CCC(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1849671330 FGXQLZFWJYASLN-UHFFFAOYSA-N 405.520 1.986 30 10 HDEE O=C(CNS(=O)(=O)c1cccc(F)c1)NCC#CCN1CCc2ccccc2C1 1850296856 INZNARZNGRYFIZ-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@H]1CCN(C)C1=O 1850863797 UUQDKOLURFWTID-ZFWWWQNUSA-N 405.882 1.947 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(c3cccc4c3CCCC4)C2)c(C#N)c(C)[nH]1 1851578219 RZCXSVXOUARPAA-HNNXBMFYSA-N 405.458 1.958 30 10 HDEE Cc1cncnc1N1CCN([C@@H]2CCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1853675533 JIJQHWNAGPMCQM-LJQANCHMSA-N 404.474 1.610 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1=O 1853827784 FRGVIMHWKSGXNL-MSOLQXFVSA-N 410.474 1.607 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN(C(C)C)[C@H]3CCS(=O)(=O)C3)CC2=O)cc1C#N 1854106619 ZKTSIZKTLLOTDG-LPHOPBHVSA-N 417.531 1.753 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2c(C(C)(C)C)noc2C)C1=O 1854218962 KUTLTDAXLCISBQ-GJZGRUSLSA-N 402.495 1.740 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCCC(=O)c2ccccc2)C1=O 1854226907 RZNVGJRFPDBAKI-RBUKOAKNSA-N 411.502 1.886 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C)CC2=O)[C@H]1c1ccc(C#N)cc1 1854522113 YGGUWKMUHOCKPZ-MOPGFXCFSA-N 400.504 1.252 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)C[C@H]3CCOC3)C2=O)CC1 1854781553 JGOQVYRSEWTGRV-MJGOQNOKSA-N 411.506 1.410 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(C[C@H]3COCCO3)C3(CCCCC3)C2=O)cc1 1855656967 UCLLWJAIDWSWTD-FQEVSTJZSA-N 411.502 1.890 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2cccc(Cl)c2)C1)C1CN(c2nccnc2C#N)C1 1856232119 KTZXJUUDOPROFY-CQSZACIVSA-N 424.892 1.811 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)c2n1 1856540234 ITFBBSVBSIQDMB-DOTOQJQBSA-N 405.458 1.370 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)Cn3cnc4ncccc4c3=O)C2=O)CC1 1856572018 NRWNQTDQAXOXAT-SFHVURJKSA-N 409.490 1.741 30 10 HDEE Cn1ncnc1CN1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCCC2 1856904808 MLSRQLYQSLUPNA-UHFFFAOYSA-N 406.490 1.803 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cn2ccnc2C2CC2)C1)[C@@H]1CCN(C)C1=O 1857053547 QTIGGZPREMHTGL-SJLPKXTDSA-N 413.522 1.244 30 10 HDEE CN(c1ncccn1)[C@H]1CCN([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1857145692 DUMSKHYZEZXLOO-RBUKOAKNSA-N 404.474 1.229 30 10 HDEE CCOc1cc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1OC 1860735494 VWIJPZROKVEHKO-UXBLZVDNSA-N 418.471 1.640 30 10 HDEE C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)C(=O)N(Cc1ccccn1)C2=O 1861514524 ZBUUDBIOCPVFJK-LJQANCHMSA-N 418.453 1.785 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1C[C@@H]1CCCO1 1870521204 JGSAHNOBSYQYJI-IBGZPJMESA-N 419.522 1.343 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(O)c2)[nH]1 1871717002 VABZJEQOEHVXTF-UHFFFAOYSA-N 411.510 1.087 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)ON1C(=O)c2ccccc2C1=O 1880977799 DYWAEPMLJABQFJ-AWEZNQCLSA-N 400.391 1.600 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889570709 WXSUJSZVAFCFEK-UHFFFAOYSA-N 419.591 1.557 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CC(COc3cccnc3C#N)C1)CS2 1891126644 ZWDMGRQEBXUSDK-OAHLLOKOSA-N 411.487 1.701 30 10 HDEE C#CCN(CCO)S(=O)(=O)c1cc(Br)sc1Br 1948656841 YHKDUPBGJFXMKG-UHFFFAOYSA-N 403.117 1.889 30 10 HDEE C[C@H](C#N)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1954224880 NJWGABCYCHUXJG-LLVKDONJSA-N 406.505 1.236 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1960402325 DNJJFKVVYRPRHJ-FZKCQIBNSA-N 410.515 1.848 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 1988256007 NMGPZZBAFVOHGS-CQSZACIVSA-N 410.320 1.910 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)S(=O)(=O)CCC#CBr 1990653834 UPHPHFTXOBBKMN-SNVBAGLBSA-N 412.302 1.904 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2054406432 VQKXRGGGTUEYIT-UONOGXRCSA-N 420.413 1.524 30 10 HDEE COC1(CCNC(=O)C2(C#N)CCOCC2)CN(C(=O)OCc2ccccc2)C1 2118122591 KJZLICNCAQTULZ-UHFFFAOYSA-N 401.463 1.851 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2118162535 KFORBVBFKGKNLP-SFHVURJKSA-N 415.471 1.874 30 10 HDEE C[C@H]1C[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@@H](C#N)C1 2174783745 GFQKTXUCKPBUKA-UGUYLWEFSA-N 400.545 1.948 30 10 HDEE COC(C)(C)CS(=O)(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186627760 NICMDKVAQYDYIG-NSHDSACASA-N 404.363 1.848 30 10 HDEE Cc1sc(CNS(=O)(=O)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2237716229 MMSXORFIUHIDOE-UHFFFAOYSA-N 423.387 1.086 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243675862 BKXFYLMDEAWWKN-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1NC(=O)OC(C)(C)C 2247826211 QAITXCGJTRAFDM-JSGCOSHPSA-N 420.319 1.694 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247910562 NEUZXFAHJLDJGL-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE Cn1cc(C(=O)NCC2CN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2247914948 TTZAZZRCISXXIH-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248433582 MZKCVNJTSNSUCR-CYBMUJFWSA-N 421.303 1.453 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249999870 ATERSIARZGDENF-HOTGVXAUSA-N 422.331 1.888 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2255807621 XCIWLDNJYARPTM-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE C#CC1(N(C)C)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2261467732 QSROJLQGQPTDHV-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE CN1CC[C@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704571 PULPOGLBMQINTJ-JTQLQIEISA-N 406.766 1.683 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@@H](N)C1 2282317629 ULJJIYIEBVDBQX-OLZOCXBDSA-N 400.375 1.904 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)C[S@](C)=O 2282326767 XPGIHYSEROLNPQ-FTJNGKRUSA-N 421.415 1.743 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](N)CC(F)(F)C3)s2)OC1(C)C 2282417987 LIYUVYGBCBEQJT-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE CON(C)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282418454 IPMAHXYSMWGRER-UHFFFAOYSA-N 404.363 1.350 30 10 HDEE C[C@@H]1CCC[C@H](CN)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493788 VPPNVYFOMFFDLL-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE C=C(CS(=O)(=O)NC[C@H]1CCS(=O)(=O)[C@@H](C)C1)B1OC(C)(C)C(C)(C)O1 2282506832 YCKBVFSDHRGLSR-KBPBESRZSA-N 407.363 1.307 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@]4(CCN4)C3)cc2Cl)OC1(C)C 2282845135 NQVQELBLDSDSHE-INIZCTEOSA-N 418.777 1.827 30 10 HDEE COC[C@@H](O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282846580 LSMKVFZDLKCIJA-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE CN([C@H](CO)CC1CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848986 VEDMRMHHVIXPJB-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CCN 2282850605 QYVUKVUVJWKNBT-QWHCGFSZSA-N 400.375 1.653 30 10 HDEE CC1CC(CO)(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282870135 NIYGCNKQFSXVHY-UHFFFAOYSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2282975311 MGVJGQQAZCNBTE-CQSZACIVSA-N 403.284 1.917 30 10 HDEE CC(C)N(CCC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284406185 VAUOKKBASHTNGC-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE C=CC[C@]1(CO)CCCN1C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2287759630 CAUQXASZMNNPRB-RDTXWAMCSA-N 404.529 1.244 30 10 HDEE CC(C)(CN)OCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2295776649 UUZMBCQZQGBWFN-UHFFFAOYSA-N 404.363 1.080 30 10 HDEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C(=O)OC(C)(C)C 2300272888 ZUUQLPWMDGZKLZ-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccncc1 2330794370 GVGDUDPBABFQLS-UHFFFAOYSA-N 423.502 1.600 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](F)C3=O)cc2Cl)OC1(C)C 2340175351 QPSKKPFASGPCSS-VIFPVBQESA-N 409.697 1.960 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)OC1(C)C 2359276401 OZBUFXMJMXKUGP-WZRBSPASSA-N 400.331 1.182 30 10 HDEE COC1(C#C[C@@H](N)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363539849 QXGASLWHSRWANT-CVEARBPZSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C1 2365200684 AITYUOGMWOUYFY-LJQANCHMSA-N 401.525 1.780 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2365208156 BMJXZGBPNYTKOV-CABCVRRESA-N 404.573 1.845 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2365210145 HLECKNRMWFXMMI-VCBZYWHSSA-N 402.557 1.552 30 10 HDEE CN(CC[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)C(=O)OC(C)(C)C 2365243390 KZROPTAPTRRZJS-AWEZNQCLSA-N 405.513 1.930 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367788635 PKXXSDBYVIRCDQ-DAYGRLMNSA-N 400.541 1.617 30 10 HDEE CC1(C)C[C@H]([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)N(C(=O)OC(C)(C)C)C1 2367812226 QQQCYJXCHCXGPE-ZNMIVQPWSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)NC[C@@](O)(C(=O)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367857026 XTUOGRIQEUKQQM-LJQANCHMSA-N 401.525 1.828 30 10 HDEE CC1(C)OB(c2csc(CN3CC[C@@H](S(=O)(=O)C(F)F)C3)n2)OC1(C)C 2368850834 ILCRVAIUTKDVMN-SNVBAGLBSA-N 408.301 1.654 30 10 HDEE CCOc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccnc2)n1N 20292630 QBVQPQVTKNQBNP-SRZZPIQSSA-N 412.479 1.962 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)C[C@@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 238963070 YRGQPTARVRDQMT-CABCVRRESA-N 423.498 1.715 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)c(C#N)c2)s1 435114440 AWCQTEIPAZHUFY-UHFFFAOYSA-N 419.937 1.838 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OC(F)(F)F)c(C#N)c2)cn1C 442213859 LUPJKRAOUAOWRK-UHFFFAOYSA-N 402.354 1.956 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 460793902 MPSGYXARJQBNDV-BBWFWOEESA-N 407.515 1.310 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CS(=O)(=O)c1ccc(Cl)cc1 465263627 FIVXJDKYFARVII-ZDUSSCGKSA-N 419.894 1.513 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)c3ccccc32)CC1 475345154 GQAQMTMQGHZYDD-GOSISDBHSA-N 409.467 1.761 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)c(F)c1 481019897 GQPPDBTUPUTYPY-AWEZNQCLSA-N 408.407 1.285 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 487859583 SFHBWWWOQJIIPT-ZJUUUORDSA-N 411.256 1.899 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 501529619 DMCRQXHLISPNAC-PMACEKPBSA-N 404.470 1.652 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F 503067123 XRCVFNRELMNFMF-RYUDHWBXSA-N 402.423 1.999 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 505003958 ZXVIIXCFHBDQDO-UHFFFAOYSA-N 415.475 1.367 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1 510300061 SMHZWNIATMDLKI-UHFFFAOYSA-N 410.497 1.992 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1=O 543976375 POBJSIIQVSLSKN-CQSZACIVSA-N 407.883 1.415 30 10 HDEE COc1c(C)cnc(CN2CCC(N(C)C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c1C 544017912 NCNJYQMLAGYDJK-INIZCTEOSA-N 411.510 1.854 30 10 HDEE CCOc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1OCC(=O)OC 544831957 MOLWZNUTBITSJE-UHFFFAOYSA-N 424.457 1.866 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 545991646 QJSFQMDJVZSCNX-UYAOXDASSA-N 418.490 1.995 30 10 HDEE Cc1nnc([C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 546106887 XORCWDVXTDRIRF-LBPRGKRZSA-N 420.520 1.495 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)N2CCCC2)C1 549290639 DGHKMPQQZARJAA-JKSUJKDBSA-N 424.571 1.303 30 10 HDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(S(C)(=O)=O)CC1 549667266 OLSIUGYMZRRUBH-KRWDZBQOSA-N 403.508 1.612 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 550240531 PCRXKZQEBQHGAH-NEWSRXKRSA-N 412.490 1.732 30 10 HDEE C=CCCCNC(=O)C(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 552281057 DEEMRGYKZHQOFC-UHFFFAOYSA-N 407.536 1.648 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1 559697305 BFXMGQYDTJEEHX-UHFFFAOYSA-N 412.881 1.755 30 10 HDEE O=C1ONN(c2ccccc2)/C1=C\C(=NC(=O)c1ccccc1)C(=O)N1CCOCC1 585673668 NXKVDQKEBDSMDG-QHYCYFEBSA-N 420.425 1.494 30 10 HDEE C=CCNC(=O)C(/C=C1\C(=O)ONN1c1ccc(OC)cc1)=NC(=O)c1ccccc1 585673883 WNAKJPRBJDPRMU-GNORYZMZSA-N 420.425 1.946 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Nc2ccc(C#N)cc2)c1 609988161 OGBALDPSXYYTKF-IBGZPJMESA-N 405.458 1.769 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(CC(=O)N2CCOC[C@H]2C2CC2)CC1 611224959 HBGVSVBKBHVQKD-KRWDZBQOSA-N 411.462 1.566 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)NCCC2CS(=O)(=O)C2)CC1 615732910 FHRBRQGVRBEHDN-UHFFFAOYSA-N 413.503 1.373 30 10 HDEE C=C(C)Cn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670227543 NHVDADLJGZYFNB-UHFFFAOYSA-N 422.530 1.897 30 10 HDEE C=CCOc1cccnc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 682390104 JUPXNQMWERLEJR-UHFFFAOYSA-N 402.476 1.256 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 729331005 IMUITRSHLNNQRQ-AWEZNQCLSA-N 409.464 1.617 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C#N 730722460 AMGAZMUGUDLBEP-HNNXBMFYSA-N 410.459 1.955 30 10 HDEE C=C(COC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C(=O)OCC 734025451 QNIYXXBTLANNBP-UHFFFAOYSA-N 405.407 1.539 30 10 HDEE Cc1cc(=O)oc2cc(OCCOC(=O)CCN/C(O)=C3/N=CC=CC3=O)ccc12 741339061 AAGKQEUGPKXPGR-MRCUWXFGSA-N 412.398 1.940 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 742091297 QHGLSAMYJFXFTK-ZDUSSCGKSA-N 417.535 1.603 30 10 HDEE Cc1nn(C)c(C)c1CCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742533199 SHYMATXOGIPCJJ-LBPRGKRZSA-N 403.508 1.213 30 10 HDEE NC(=NOCC(=O)N1CCC(c2ccccc2)=N1)c1ccc(N2CCC(O)CC2)cc1 744442152 AXWKBVWHGGWPAA-UHFFFAOYSA-N 421.501 1.921 30 10 HDEE Cc1cc(N2CC[C@@H](ON=C(N)c3ccc(N4CCC(O)CC4)cc3)C2=O)n(C)n1 744446011 MNNABBHMVKQPRY-GOSISDBHSA-N 412.494 1.132 30 10 HDEE C#CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 751273486 HWKMFTXOUGUFGU-QGZVFWFLSA-N 422.462 1.750 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 753749327 CYFLRGGEAJLHNS-SREVYHEPSA-N 409.508 1.962 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 758263231 HOOGRTMFOMZCOD-QGZVFWFLSA-N 413.544 1.661 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCC2=O)cc1C 760543799 XQBHPDHNWHPTMZ-UMIVRTMYSA-N 410.474 1.689 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)cc1 763787129 OQJHMYQGQBQMFG-AEFFLSMTSA-N 420.487 1.709 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 767636054 KRHGYFOCZIKWIF-IBGZPJMESA-N 417.506 1.732 30 10 HDEE COC(=O)c1cncc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 768997271 DDJJJSPRLQLXEM-NSHDSACASA-N 402.432 1.324 30 10 HDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC1CCN(CC#N)CC1 770784735 VWKGTVPYOINZOH-ZDUSSCGKSA-N 410.452 1.570 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(OCCCO)CC2)ccc1F 771554754 FXCONQFWZPCEGX-UHFFFAOYSA-N 400.472 1.294 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1C)[C@@H]1CCS(=O)(=O)C1 773315379 SLLVUTSPHDMPND-LJQANCHMSA-N 418.563 1.791 30 10 HDEE C#CCN(C(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 774024658 WIMFNAMPDHGWJD-INIZCTEOSA-N 419.503 1.866 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cccc(N2CCOC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774193887 ASVYIUGLIFPDDB-RHSMWYFYSA-N 405.476 1.536 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780863773 VZXOULOGWYXFKV-KRWDZBQOSA-N 418.475 1.120 30 10 HDEE C[C@H](CC(=O)NC[C@]1(O)CCCC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 783768421 JLMUMJXVZUJZOO-VLIAUNLRSA-N 407.536 1.951 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)n1 788331956 OXZODQMKDVHQOH-GOSISDBHSA-N 400.866 1.950 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCOC 794583167 XGPAZNQBAMLWBW-UHFFFAOYSA-N 424.526 1.712 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@](C)(O)CO)c1 797617625 IBOPMGRLTAYFGC-SAGAUJLNSA-N 412.512 1.144 30 10 HDEE C#C[C@@H](C(C)C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 798362331 FJEITRGQPPLSGT-IRXDYDNUSA-N 418.567 1.560 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cc(Cl)ccc1N1CCOCC1 799014792 JTFNVHVUVMYJGF-FMQUCBEESA-N 418.881 1.709 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)cc1C(F)(F)F 800383376 RRSVUEISMNKMQB-FPIPNRSUSA-N 422.384 1.709 30 10 HDEE CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780743 FQPHTSFMBGVICW-HYEKCJMVSA-N 407.471 1.213 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3cc(O)cc(C#N)c3)CC2)nc(C(C)C)n1 811188295 ZCPHXEPLQYASEF-UHFFFAOYSA-N 423.473 1.991 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@](O)(Cc4nc(CC)no4)C3)cc2C1=O 856697262 CQRUSXJCMYHNFX-JOCHJYFZSA-N 424.457 1.624 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cnn(C)c1I)C(=O)OCC 1132417797 FMUGUPSAPCOBET-VIFPVBQESA-N 411.627 1.829 30 10 HDEE C=CCC[C@@H](NC(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OCC 1140930244 QKAYTJDMGOGENA-CXAGYDPISA-N 404.385 1.632 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)s1 1141168469 SAZDGBXYEHOOFM-ZJUUUORDSA-N 409.327 1.639 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)ccc1F 1142055744 KBAWTEMFWUVUGN-AWEZNQCLSA-N 412.487 1.166 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-n3ccnn3)c2)s1 1150572112 XSUPCOAPZDSTTB-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)N=S(C)(C)=O)cc2C1=O 1161037664 ZMVHTLZPOJINBY-HNNXBMFYSA-N 403.460 1.327 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cn(C4CCC4)nn3)C2=O)cc1 1164175263 CVUMEQAWRIUXJC-QGZVFWFLSA-N 407.434 1.396 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1171788339 SBOIODJLAXDKFT-AEGPPILISA-N 407.492 1.462 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)c1 1174911088 CSDLQOGYXLWKOL-KRWDZBQOSA-N 416.421 1.767 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCC(=O)OC)CC(=O)OC(C)(C)C)c1 1175680153 ZVBNECCFAXYTLT-UHFFFAOYSA-N 417.462 1.523 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC(=O)NCC23COC3)cc1 1175918432 RTHFCKGETNFKFG-UHFFFAOYSA-N 423.473 1.114 30 10 HDEE C#C[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1230478872 QVSZLFKKBVFQHA-JTQLQIEISA-N 406.327 1.548 30 10 HDEE CC1CCC(NC(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)CC1 1251296201 QBLKWNBYIHYBDN-UHFFFAOYSA-N 404.540 1.537 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C 1264578525 USQUKXYOAGJQGR-UHFFFAOYSA-N 416.522 1.544 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1286349011 CKPRAALTMTYFCO-QGZVFWFLSA-N 411.510 1.711 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCN(C2CC2)C1 1286400631 JABBHRMSMSFFKC-CVDCTZTESA-N 411.550 1.876 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1286404361 QVRLHWPKZYXQSS-JOCHJYFZSA-N 409.490 1.102 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286479885 PIABMBCONGFIIF-SFHVURJKSA-N 414.554 1.186 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCCCC2)C1 1286495434 VMLXDKAUPNEUOF-QGZVFWFLSA-N 404.584 1.847 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286509320 YZYLFDZXNHLPLC-MRXNPFEDSA-N 413.551 1.494 30 10 HDEE CC(=O)NCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1286954836 QFYXTSIJXSBVIU-SFHVURJKSA-N 419.486 1.238 30 10 HDEE Cc1c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cnn1CC(C)C 1289245526 KCRALVNDRIYROE-OXQOHEQNSA-N 414.489 1.880 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(O)(C(F)F)CC3)C2=O)cc1 1296805003 LIJXRQKGKBHBDP-AWEZNQCLSA-N 406.389 1.382 30 10 HDEE CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1297551015 QFZFRCBTWYKEDE-AWEZNQCLSA-N 406.512 1.433 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N[C@@H]3CCCN(O)C3=O)CCC2)CC1 1298542955 HHIKHMXMJSTXRM-CQSZACIVSA-N 411.499 1.415 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1300219246 BRSPOMONFXKQPE-SUMWQHHRSA-N 414.487 1.118 30 10 HDEE C=C(C)CONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1300220221 PGMZKTQZBTXPJT-GFCCVEGCSA-N 423.413 1.242 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1300272872 NZZYCFRWFOLXKL-CVEARBPZSA-N 404.540 1.483 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOc2ccccc21 1300274707 YQFWUQKKZXYLPG-HRCADAONSA-N 417.535 1.913 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1300320283 FMYXBKMMBGDCHJ-MRXNPFEDSA-N 418.567 1.955 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300382299 POPSVEJVDZFHDM-UHFFFAOYSA-N 400.527 1.622 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 1300392810 KOXWTTNUVAKNEI-XXBNENTESA-N 418.453 1.444 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1300399338 IOSVYJRXKJYHDZ-UHFFFAOYSA-N 408.506 1.532 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1300492562 NNAQEQWACFDJLX-JKSUJKDBSA-N 420.564 1.201 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1300631551 SIBFOLSXNBJMCH-QGZVFWFLSA-N 421.498 1.258 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1300695827 LPDGMQXXGZWDHD-IBGZPJMESA-N 424.578 1.798 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CCOC 1300743693 XZMBRTCQWRLSAM-UHFFFAOYSA-N 408.549 1.798 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970066 JCLPNSGGVHEWPQ-WOJBJXKFSA-N 405.499 1.926 30 10 HDEE C#CCN(CC(=O)NCC1(OCCO)CCC(F)(F)CC1)C(=O)OC(C)(C)C 1301020054 HSBRSAUEEIKIQG-UHFFFAOYSA-N 404.454 1.930 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(COC)n2)CC1 1301085557 NRENEYAUVYSUFX-AWEZNQCLSA-N 423.564 1.988 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(O)CCC(F)(F)CC3)C2=O)cc1 1301291875 VFFHNBDZHWCFNZ-HNNXBMFYSA-N 420.416 1.820 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)N(C)C 1301295884 BRICRTUHGWRICS-HNNXBMFYSA-N 422.530 1.687 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1301481336 KFSBZZUVIQUVBT-IBGZPJMESA-N 422.533 1.933 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CC1COC(C)(C)OC1 1301491485 KJJOHTSGFJNEGH-UHFFFAOYSA-N 400.483 1.478 30 10 HDEE C#CCN(C(=O)[C@@H](CCC)S(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303655392 CNQCPTTXNKZMFN-OAHLLOKOSA-N 401.529 1.305 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC)C(=O)OCC 1309761907 PXHAWOOACAEVGL-GFCCVEGCSA-N 402.856 1.967 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)C1 1311770740 ZUMJOQAFVZBIGH-IBGZPJMESA-N 406.552 1.411 30 10 HDEE CN(C)CCOCCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314673253 KGCKGWVTMAPNNN-GOSISDBHSA-N 403.575 1.621 30 10 HDEE COc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1315539560 CSGIQNCLFOELKC-DLBZAZTESA-N 412.450 1.046 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CC1(O)CCOCC1 1316173030 WKERFEHPYNTXAQ-INIZCTEOSA-N 407.515 1.674 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1342229037 RGCQYSZBIRSVGB-KTZOAPACSA-N 416.503 1.511 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)CC1CCCC1 1347849141 YXNDURJPGGKACN-QQXKLLMISA-N 403.523 1.522 30 10 HDEE C=C(C)COCCNC(=O)c1ccc(I)cc1-n1cnnn1 1356039548 FIBUKYCZPBFOLR-UHFFFAOYSA-N 413.219 1.589 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1358895388 IOHCLDGNJHWTPJ-HNNXBMFYSA-N 404.478 1.692 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358909912 WRMGJFSUEQGGDU-KRWDZBQOSA-N 402.524 1.662 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCN(C(C)=O)CC1 1358940359 VSFPPCFJJDLCNQ-OAQYLSRUSA-N 403.527 1.647 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N(C)C)c1 1358992223 FIFFMJWYEPRTNC-LJQANCHMSA-N 418.501 1.442 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccnc1C 1359064278 PEVBGFHBVKLEQE-DNVCBOLYSA-N 417.539 1.222 30 10 HDEE C=C(C)COCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1359137482 RLVVJVHGYKNGMJ-UHFFFAOYSA-N 404.559 1.569 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1359229150 ABRMMGICLLBARU-LAUBAEHRSA-N 421.542 1.580 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCS(C)(=O)=O 1359233961 XHEHXCGCFLQJIA-UHFFFAOYSA-N 410.496 1.638 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1)C1CC1 1359251542 OAFBZKZCEBFANC-AWEZNQCLSA-N 419.507 1.244 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1COCCO1 1359281469 ATUNLEHOZQHQEL-LPHOPBHVSA-N 416.478 1.845 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1359301546 BGICBOPWKFALCK-UHFFFAOYSA-N 416.530 1.183 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCOC[C@@H](C2CCC2)C1 1359302795 URJKQJKZHDIWSL-IBGZPJMESA-N 410.522 1.819 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(=O)OC)C1 1359303588 UNGRZCMITMNUTF-QGZVFWFLSA-N 422.489 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1359334562 JUDFUOMXIJXPFA-GASCZTMLSA-N 407.540 1.094 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1359471980 DASKAZKGUPMYGP-LHSJRXKWSA-N 422.493 1.256 30 10 HDEE C#CCOc1cccc(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1 1360374075 MGXFLOPLVMMPRU-UHFFFAOYSA-N 421.496 1.769 30 10 HDEE Cc1c(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)cnn1CCC#N 1360561291 XQZGGWQPQKVGNE-UHFFFAOYSA-N 415.519 1.829 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCOCC1 1360693088 FGNJFRZLKDVGKR-KBXCAEBGSA-N 410.544 1.445 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3ccc(CN4CCOCC4)o3)CC2)c1C#N 1436555604 FXRCMIJXUMYZBQ-UHFFFAOYSA-N 401.492 1.711 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCN(CC(F)(F)F)C2)s1 1442545036 LCEMARBYWPRMSB-NSHDSACASA-N 411.471 1.508 30 10 HDEE NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 1445488272 YGEUTILXXKDDED-MZEUMTGBSA-N 411.433 1.127 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CCO2)c1 1447221881 POLAMRNWZJTWPE-INIZCTEOSA-N 411.443 1.067 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]([C@@H]1CCCO1)C1(CO)CCC1 1452428090 AZJROSBBCALPRI-WBAXXEDZSA-N 421.519 1.051 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1453302500 FVIJUJJNOCEHJR-QRTARXTBSA-N 411.911 1.616 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1455219800 NKUCOGIBDMJQJV-LRCWUAGVSA-N 411.380 1.554 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1Br 1455503396 ZZNDJPOHIDZHKY-CHWSQXEVSA-N 413.293 1.593 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)sc2n(C)c1=O 1459785247 MIPZZOZPZMCZFW-UHFFFAOYSA-N 424.482 1.854 30 10 HDEE C=CC1(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CN(C(=O)OC(C)(C)C)C1 1464920948 BYGIIGUGMHVDFW-MSUUIHNZSA-N 404.467 1.442 30 10 HDEE CC(C)C[C@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)NC(=O)OC(C)(C)C 1464928529 YGJPJJNMLZYQBS-MGPWXQLLSA-N 408.499 1.959 30 10 HDEE CN(CCN(C)C(=O)Cc1ccc(C#N)nc1)CCN1C(=O)c2ccccc2C1=O 1468608777 VZFJQNSIDYZQRK-UHFFFAOYSA-N 405.458 1.182 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)CC1 1476920066 NAYLJHYRGXFRHY-MUUNZHRXSA-N 405.524 1.620 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1499307017 HERPFDGIIGBDAC-GOSISDBHSA-N 411.510 1.110 30 10 HDEE C#CCC1(C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1500497704 KINLAPNFGYYYPK-NADOGSGZSA-N 402.535 1.877 30 10 HDEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(F)(F)CC2)n1 1503687127 BPQLMEVZYREDQD-UHFFFAOYSA-N 415.408 1.536 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CCO1 1505321857 FSCNJRZWYNTJFM-DLBZAZTESA-N 423.539 1.116 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCCS(=O)(=O)C1 1507606468 MYPXRALELXRRHS-AWEZNQCLSA-N 403.464 1.748 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1507635242 QMTVIQIWBUIVRX-OAHLLOKOSA-N 405.549 1.671 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCCCC1 1507654185 XIGPVMNVDVDGLU-SFHVURJKSA-N 418.563 1.992 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 1507732707 JTWFXOVONDGUQY-UHFFFAOYSA-N 418.542 1.437 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1507732835 XYSNHFFIGRMCLC-IBGZPJMESA-N 411.554 1.891 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCO2)CC1 1507739712 UQOHMRZZVKYVDB-QZTJIDSGSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507749985 FBVCBKZIVWGQPR-UHFFFAOYSA-N 420.564 1.225 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1507972889 LWXWJHHJSREUBA-AREMUKBSSA-N 408.549 1.882 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](OCC=C)C1 1508084861 QBNBDWJLAKSZTO-MRXNPFEDSA-N 402.524 1.717 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1508094702 ZNKLEEWSAKOQRN-UHFFFAOYSA-N 414.485 1.771 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@@H](CC(N)=O)C2)COCCO1 1510343149 BPAINBAJHJHKLX-HTAPYJJXSA-N 424.505 1.714 30 10 HDEE Cc1cn2c(n1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)CCC2 1511426288 VXVFHSBPTPDNMS-YWZLYKJASA-N 414.489 1.941 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2(C)CCOCC2)CC1 1536642169 UXFCVKIBZCTTJH-RMMWZPCPSA-N 400.519 1.679 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCC3(CC1)CC(=O)C=CO3)C2=O 1536709694 XEKCMAHJLDYNEQ-GJZGRUSLSA-N 403.479 1.597 30 10 HDEE COC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1538858902 OBNAKYMPSOANDF-ROUUACIJSA-N 414.462 1.321 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1538993455 LFCDRNSIBCNDIR-SJORKVTESA-N 401.536 1.993 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1539028878 DPODPSKELWGIHA-MRXNPFEDSA-N 404.478 1.948 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1539078964 KMSZQGFXGQIRMG-UHFFFAOYSA-N 408.510 1.321 30 10 HDEE C#CCCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539139891 JJTWUANRWCZIJY-NRFANRHFSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)Cc1ccccc1 1539180246 YCFBHLPGYZGLBA-SFHVURJKSA-N 402.520 1.857 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1539831010 BOBRQOZVJHQDOT-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539998795 PVXOUWMPUHWMGE-JKSUJKDBSA-N 424.571 1.303 30 10 HDEE C=CCN(c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1)C1CC1 1540109552 ZWAOLDRKKXUHNR-INIZCTEOSA-N 417.535 1.827 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1540874912 VUPLOSIYRWUBNK-QFIPXVFZSA-N 424.505 1.327 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(C#N)o1 1541916353 GKVQNCXOYUBUDW-GXTWGEPZSA-N 408.484 1.016 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCNS(C)(=O)=O)cs1 1542910539 OUCWZVQKIJDYRD-UHFFFAOYSA-N 423.568 1.313 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1544784748 DLLUNABOZNVPKK-MCIONIFRSA-N 412.464 1.069 30 10 HDEE COC(=O)C[C@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 1544896801 LAUNGVHIWJZRIM-IERDGZPVSA-N 412.446 1.611 30 10 HDEE N#Cc1ccc(CC(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)cn1 1544929349 WGCUUFYTYMTUOY-UHFFFAOYSA-N 419.529 1.983 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCSCCCO)cc1 1554870414 HUEFTRPDFMPHQV-KRWDZBQOSA-N 403.508 1.798 30 10 HDEE C=CCOc1ccc(CC(=O)N2[C@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1 1556930893 XPNYJRFPMNNUBO-YOEHRIQHSA-N 406.504 1.763 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](CO)c1ccc(Cl)cc1)c1cc[nH]n1 1558203034 BWJILQBEGAKLPT-CYBMUJFWSA-N 408.842 1.239 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC12COC2 1558226335 MNQNSVQXYDTXKQ-CABCVRRESA-N 409.483 1.612 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3COC3CCOCC3)C2)c(=O)nc1O 1558806075 CRXLRXLPUNLIOG-UHFFFAOYSA-N 410.430 1.213 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1561798983 GBBGZVMPHMHUPT-ZDUSSCGKSA-N 404.282 1.942 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OC 1561929258 MPCWCVGDFYFNLL-HNNXBMFYSA-N 404.529 1.772 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 1564199133 BDOWLASZLBBFDB-BEFAXECRSA-N 421.505 1.754 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC(=O)N3CCC(C#N)CC3)CS(=O)(=O)[C@H]2C1 1583830043 ICKKOCBPFZMHPG-XHSDSOJGSA-N 411.524 1.419 30 10 HDEE COCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)sc2cccc(F)c12 1585292290 HQHACCIANPRREY-UHFFFAOYSA-N 402.407 1.751 30 10 HDEE COc1cc(OC)cc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCCC2)c1 1585660849 XXMWYSOAFDWCDI-OXJNMPFZSA-N 418.515 1.912 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1586824038 IESQNFZNTFSPAB-OAHLLOKOSA-N 403.298 1.219 30 10 HDEE C#CCCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1587793750 SFEXSRYVEKEVQN-RTWAWAEBSA-N 401.511 1.450 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1588074500 NSHQABJNLPEWEH-UHFFFAOYSA-N 410.444 1.471 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@]1(C)CN(C)C1=O 1588166773 PFLAVPYSJNKGPA-HSZRJFAPSA-N 405.502 1.971 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1588976197 RHXBSWQVRSGOSL-QZTJIDSGSA-N 418.611 1.901 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 1594194584 XFLIAQRQWPBQOP-OAHLLOKOSA-N 421.571 1.955 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594615853 LMTANJGTNKUCKE-INIZCTEOSA-N 414.489 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccccc2OC)CC1 1595765711 FWHVRQBMZDVMCU-UHFFFAOYSA-N 419.551 1.518 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1595798232 NXCAUNJQOLMDSJ-QGZVFWFLSA-N 407.540 1.903 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCc2nnc3n2CCNC3=O)s1 1596638089 AMZIHECSMAEKNK-UHFFFAOYSA-N 412.928 1.490 30 10 HDEE COc1cnc([C@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1O 1603345402 FOTBPUXVNWGXID-GDBMZVCRSA-N 407.430 1.779 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 1616329896 AWYLKXHJBDVILE-BFUOFWGJSA-N 404.492 1.512 30 10 HDEE CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1617181453 QLCNCOVYDIFEIF-UHFFFAOYSA-N 421.509 1.617 30 10 HDEE CC[S@@](=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1617448200 WPUJKQNULFYNIV-GDLZYMKVSA-N 415.567 1.937 30 10 HDEE C#CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1618091383 UKXRCCIZAPEWOF-KFWWJZLASA-N 416.565 1.139 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1cc(C2CC2)nn1[C@H]1CCS(=O)(=O)C1 1618295872 KRZVCNJODLEFLA-ZDUSSCGKSA-N 401.448 1.653 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 1618726994 DQSQYEWAQDYTJL-LSDHHAIUSA-N 403.483 1.338 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1618933775 AJHUCSWDJBDNPR-UKRRQHHQSA-N 405.480 1.112 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2c[nH]nc2I)cn1 1624771224 ILIWZJZTONIVGE-UHFFFAOYSA-N 405.159 1.719 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2nn[nH]n2)c1 1625037469 ZCANRTIPAUJOFE-LTGZKZEYSA-N 405.484 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N[C@@H]3CCCN(O)C3=O)ccc2C1 1625082931 XJKIHTVKYHEACL-OAHLLOKOSA-N 405.451 1.926 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Cc1ccccc1CC#N 1630905439 VDPJLIKJVPQVLY-UHFFFAOYSA-N 416.459 1.640 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 1630966932 WPEZHJCWSDXXFQ-QGZVFWFLSA-N 406.236 1.312 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1631269202 JLONIJCMHOVGBG-HUUCEWRRSA-N 403.545 1.906 30 10 HDEE CC(C)N1CC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1633762449 ZQRMOXYDZRSVRE-OAHLLOKOSA-N 405.296 1.882 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(C)COc2ccccc2O1 1633844387 QVRKJFOPLFIROQ-VLIAUNLRSA-N 415.471 1.571 30 10 HDEE CN(C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1634600928 FEFHHDWWVSOLMQ-YWZLYKJASA-N 404.898 1.480 30 10 HDEE O=C(NC[C@H](O)COc1ccccc1Br)c1cccc(C#CCO)c1 1635492363 XURVAXJDEZZENC-INIZCTEOSA-N 404.260 1.963 30 10 HDEE Cc1c(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cnn1C1CCOCC1 1636402975 NVBFHXBWHRBACV-UHFFFAOYSA-N 417.491 1.987 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@@H]1CCCOC1 1636889047 WKGYUEDJBGNFCW-CQSZACIVSA-N 417.491 1.692 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)C1 1637161292 PFQXDTZECJFTHA-GFCCVEGCSA-N 417.307 1.884 30 10 HDEE C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1638725356 FCWUPVZIKPCSJU-KRWDZBQOSA-N 407.555 1.941 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1639961790 HOBOEYIFDFTIQI-KUHUBIRLSA-N 412.471 1.289 30 10 HDEE C[C@]1(C[C@H]2CCCN2C(=O)Cc2ccc(Br)cc2C#N)NC(=O)NC1=O 1640484298 YIUFIDXGJVHAEU-RDTXWAMCSA-N 419.279 1.842 30 10 HDEE O=C(CNCC(F)(F)F)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1640497714 BWNHQYIQCLRDKK-BQBZGAKWSA-N 403.245 1.739 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1S(=O)(=O)NCC#N 1640698361 OXCGENHWRJHVMA-WMZOPIPTSA-N 415.519 1.672 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CCO1 1643861597 KIOIIEHCTKMXDZ-GJZGRUSLSA-N 405.524 1.507 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2cc(Cl)cc(C#N)c2)c1=O 1644137198 WLZLGOHOVZSPIW-UHFFFAOYSA-N 400.822 1.797 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@@H](C)[C@H](C(=O)OC)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789951 OCTUMPPVWDUTTN-DJIMGWMZSA-N 408.495 1.814 30 10 HDEE C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645997825 PMSAUODHUGHDHS-NMRSOGARSA-N 405.451 1.431 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)cc1 1648498429 GSBZOONSWFLFNU-GOSISDBHSA-N 420.512 1.388 30 10 HDEE C=CCCC[C@H](NC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1652016855 FVDGRUPMALURNN-MGPUTAFESA-N 414.499 1.653 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CSCC(=O)NC)c(C(=O)OCC)c1C 1652789971 MVEUCOHBYNYONE-UHFFFAOYSA-N 414.505 1.994 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1=O 1652920120 VCLADNZWYKKPPR-NJDAHSKKSA-N 410.518 1.791 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889078 PFBXLDWPUVQVQY-DOXZYTNZSA-N 418.544 1.890 30 10 HDEE N#CC[C@@H]1CCCN(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1655039635 LLTTVUQYCLQDBG-VUVCFOEZSA-N 413.503 1.860 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)C[C@H]1C(=O)OC 1655867032 WLBRFEZXLWGDFE-RBSFLKMASA-N 419.503 1.771 30 10 HDEE Cn1c(=O)[nH]c(NC[C@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c(C#N)c1=O 1655871015 ZTMPAEJHAMBPGQ-INIZCTEOSA-N 417.388 1.689 30 10 HDEE CC[C@@H](Cc1ccc(Br)cc1)NS(=O)(=O)N1CCO[C@@H](C#N)C1 1656133345 GWZNKQFDCYWQPI-GJZGRUSLSA-N 402.314 1.829 30 10 HDEE COC(=O)[C@@](C)(NCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 1659688065 SLDRIUPCBOOMBI-IBGZPJMESA-N 417.443 1.918 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1659967351 ILEWQZAJKQNBDD-AWEZNQCLSA-N 411.462 1.447 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)c1 1665183103 LILVPCBKUQGPTF-GOSISDBHSA-N 420.512 1.550 30 10 HDEE C#CC1(O)CN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 1666566806 QSVZASJXJDSREH-LEWJYISDSA-N 414.502 1.803 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1669195992 FLIQIJODWOHCRJ-VIFPVBQESA-N 410.261 1.980 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H]3C[C@H](C(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1675443872 GLZMRHNQEFQCOO-OGNFBWPZSA-N 417.487 1.088 30 10 HDEE CC(C)(CNC(=O)N1CC(Oc2ccc(C#N)cc2)C1)[C@@H]1COCC12OCCO2 1681904667 FJHRBHLDWWJBKJ-SFHVURJKSA-N 401.463 1.747 30 10 HDEE C#C[C@H](NC(=O)NC1CC(NS(C)(=O)=O)C1)c1ccc(Br)cc1 1681910927 BURPAFNFEQABBK-RUXDESIVSA-N 400.298 1.503 30 10 HDEE C#C[C@@H](CC)NC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1683074537 TXKZISXMSXURPQ-UONOGXRCSA-N 411.243 1.886 30 10 HDEE C#C[C@@H](NC(=O)NCC1(S(N)(=O)=O)CCC1)c1ccc(Br)cc1 1683512612 OHZHPKHOMAQXRW-CYBMUJFWSA-N 400.298 1.634 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Cl)c(Cl)c2)CC1 1687573760 PYZQMCMTLFNXBG-UHFFFAOYSA-N 419.334 1.331 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1690019915 UVEPCWYHNSEMQD-LJQANCHMSA-N 405.458 1.390 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)OC(C)(C)C 1690099700 IFAKBIWWYMCJKG-UHFFFAOYSA-N 417.514 1.679 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCNC(=O)C2CCC2)CC1 1690115895 WIQWUNZCIYOCOX-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1690170086 YUXTVTUNFQNTEK-DNVCBOLYSA-N 402.524 1.429 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690344714 XWQVYXXIBPBBCL-HNNXBMFYSA-N 417.963 1.690 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCC1CCOCC1 1690655464 WBELSHNHZQKPQZ-UHFFFAOYSA-N 404.515 1.069 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)nc2)C1 1690697133 PGEYKEMCKKUJAV-DLBZAZTESA-N 411.510 1.520 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cnn(CCOC)c2)C1 1690700639 VPPRQXIAIPDEMZ-OALUTQOASA-N 416.526 1.845 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(C)[C@H](C)CC#N)CC1 1690869609 MUBWZDRRQLUADG-MRXNPFEDSA-N 415.567 1.833 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1692491786 DFLGGAQTGSNJLE-JTSKRJEESA-N 410.522 1.887 30 10 HDEE COC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1697882945 KUIAEJYETXTXTF-PBHICJAKSA-N 414.466 1.267 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1705493730 NCFXESPUJZJAGV-QAPCUYQASA-N 417.535 1.934 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705527463 YTMTZZQLAHBLAT-INIZCTEOSA-N 403.464 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1CCN(CCN(C)C)CC1 1705584208 BBCNTOPLWJQHCE-UHFFFAOYSA-N 419.577 1.610 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCN(C)C(C)C)CC1 1705640352 OJBZTPXUBXFNTR-NRFANRHFSA-N 424.549 1.886 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCC2(F)CCC2)CC1 1705649419 XBKMSKZSXQRWRV-UHFFFAOYSA-N 413.501 1.927 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC#C)CC1 1705656770 ILVXLXCLDJTGBO-UHFFFAOYSA-N 409.515 1.795 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CCC(N)=O)CC1 1705658971 HGWOKGZVYUGDQK-HNNXBMFYSA-N 404.540 1.078 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1705663236 AGCPPODBOIVACZ-OAHLLOKOSA-N 402.549 1.511 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCC(O)CC1 1705667488 MOCYGRMNTDWPMP-OAQYLSRUSA-N 402.543 1.255 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1705891754 VBLPATRVCWPZFM-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1706077453 NSGPAORLUMTGDE-CQSZACIVSA-N 418.448 1.602 30 10 HDEE CC(C)N(C)CCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1706551064 YFPUFQYCDLJODF-HNNXBMFYSA-N 415.498 1.465 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCCCC1=O 1707908904 BNOLOBWWMMHZMP-UHFFFAOYSA-N 408.510 1.582 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1711027853 CNVHMWVZUSJUKB-MRXNPFEDSA-N 401.492 1.355 30 10 HDEE CN1CCN(CCn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1711281049 DUSIPKPMSUKRNT-JXFKEZNVSA-N 405.522 1.250 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1711845831 KUPFMZPZPURIDD-FUHWJXTLSA-N 413.478 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1722276924 JVLGOYIDVDPIHO-CQSZACIVSA-N 423.477 1.573 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(CCN(C)C)CC1 1722343837 KCOABOUTXXPCJG-QFIPXVFZSA-N 418.586 1.273 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cnn(-c2ccccc2)c1 1722371391 WNCAHGPDZXTXEH-UHFFFAOYSA-N 401.474 1.723 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1722411161 ZPHILDXFEUGBSL-LSDHHAIUSA-N 410.469 1.045 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(OC)CCOC1 1722423742 NHVMMGIEHZUSRD-LJQANCHMSA-N 405.886 1.885 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCC(=O)N1CCOCC1 1722424495 OTEWHYBNQOIYBA-UHFFFAOYSA-N 415.469 1.419 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2)CC1 1722428774 AKKFCWBIVSJMAH-QGZVFWFLSA-N 402.568 1.555 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)CC1 1722510954 WBSXEOKPXMVWJK-LPHOPBHVSA-N 401.536 1.814 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OCC)CC1 1722535117 ZIRZHYWDUUCJOI-UHFFFAOYSA-N 403.487 1.550 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1722590546 FSMPMVWJBYIPHC-HNNXBMFYSA-N 411.572 1.902 30 10 HDEE C=CCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1722615333 NHWLPHULXNRBGJ-UHFFFAOYSA-N 419.555 1.675 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722629624 MTXQEKDHVJZAQH-WMZOPIPTSA-N 402.499 1.686 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCS1 1722682237 YNWWFKUICDYXBI-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OCC)C1 1722729252 GYFRBSPDTDYZSR-GOSISDBHSA-N 419.551 1.870 30 10 HDEE CCc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1727532782 BQIBPCWBLNBWNL-SFHVURJKSA-N 419.489 1.994 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730484008 KQWFPJZNCAWUBU-INIZCTEOSA-N 410.457 1.851 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)C1 1731179683 FIGNWNBBKJPFOS-DBXWQHBBSA-N 420.533 1.851 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1740671655 LREKMGLKRUAWEL-ROUUACIJSA-N 407.584 1.760 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2cnn(C)c2)CC1 1740693134 UVFHPAGQEWBAJH-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOC)C1 1740759942 FYHSOZZEJVKDSQ-NTDBWNAOSA-N 419.526 1.452 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1740783926 AFZQZBKANCVUAQ-UHFFFAOYSA-N 424.509 1.692 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1740858688 XPNRNXQKPYEASC-GJZGRUSLSA-N 422.559 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1740994848 VHHUTLBXQXMKTN-INIZCTEOSA-N 423.583 1.525 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOCCCO)CC1 1749297433 FQFRMIUIQCCDMM-UHFFFAOYSA-N 424.505 1.747 30 10 HDEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749762351 SIQZZKXYMCZGHC-OAHLLOKOSA-N 407.565 1.801 30 10 HDEE CC(C)N1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750906084 ZKDLFTVIKMTJKA-VXPUYCOJSA-N 413.526 1.287 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCOC1 1751089284 DYCYQNLPTXJUSE-IRXDYDNUSA-N 404.515 1.696 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CC[C@H](CO)O2)n1 1751840617 ANQHZNLIYJAKAA-RBUKOAKNSA-N 413.526 1.810 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1760114404 LWHJEPVRSXITNW-MAUKXSAKSA-N 408.506 1.632 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760205347 YWIZAISJLQWEJH-VXPUYCOJSA-N 420.498 1.530 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760259105 GNIBMHDWUKCNCW-OALUTQOASA-N 400.571 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O 1760326966 ALEUYWGSVRHGCF-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760331307 HKWFGGUQFDHKAA-HXUWFJFHSA-N 415.519 1.769 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1760375270 JDLYIPIIBREWAX-INIZCTEOSA-N 411.934 1.904 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1760481359 UOUXRHKZLHQQST-IPMKNSEASA-N 411.506 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2[C@@H]1C 1760522359 RQNUXCFXLOBUKS-GOEBONIOSA-N 415.519 1.564 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1760525759 QEKAGYBCXYQFPF-CQSZACIVSA-N 402.524 1.290 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)C1 1760535013 KCPUIQNWHJSCAJ-RDJZCZTQSA-N 420.539 1.421 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2=CCCCC2)CCO1 1770749103 UMCJGMPFDDGDDQ-DLBZAZTESA-N 405.524 1.799 30 10 HDEE CN(C)CC#CCNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 1850069009 YKECHSBRUABURF-CYBMUJFWSA-N 403.957 1.626 30 10 HDEE C#CCN(C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O)C(C)C 1850603577 YKUMLTDNAKVTOP-UHFFFAOYSA-N 423.429 1.662 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3sc4c(c3C#N)CCN(C)C4)CC2=O)CC1 1850928079 UGVCQJQNQLZCBU-CYBMUJFWSA-N 401.536 1.489 30 10 HDEE N#Cc1ccc(C(=O)O[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1F 1851589952 LNNCALOOCHTXLX-MJGOQNOKSA-N 407.401 1.866 30 10 HDEE CN(C)C(=O)[C@@H]1C[C@H](OC(=O)COc2ccccc2C#N)CN1C(=O)OC(C)(C)C 1852536165 ZJLIHMLFOXILAM-HOTGVXAUSA-N 417.462 1.946 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](NS(=O)(=O)c2ccccc2Cl)C(C)C)CC1 1852688415 GMSPJFRGGWOFQZ-GOSISDBHSA-N 411.955 1.810 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nc(-c4ccc(OC)c(F)c4)c(C)cn3[nH]2)CC1=O 1853102947 HFMCUQOSQBGSQY-AWEZNQCLSA-N 424.436 1.642 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1853789116 ADXQWTMWMHONBG-APWZRJJASA-N 412.465 1.932 30 10 HDEE CN1C[C@H](CN2CCC([C@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)CC1=O 1853849873 YSAJOURBTDSVFP-XLIONFOSSA-N 408.502 1.737 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@@H]4CCCO4)C(=O)C3)C2)c(F)c1 1854228416 MEKVZFZYIJSZED-MOPGFXCFSA-N 414.481 1.512 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C(=O)C12CCCC2 1854396754 WQYDFAXFERZNDD-IAGOWNOFSA-N 401.488 1.627 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1 1854987488 ZVEDCGPNDIFVHK-NHCUHLMSSA-N 410.518 1.415 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1855034032 QGNMVWOEIFGLLX-OAHLLOKOSA-N 403.914 1.839 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)CC(F)(F)OCC)CCC2=O)CC1=O 1855590013 ASFHLGDXLSBJJW-LSDHHAIUSA-N 401.454 1.347 30 10 HDEE Cc1noc(C)c1C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1856320548 QWSVUMRDJCGBAS-QGZVFWFLSA-N 408.462 1.512 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](N2CCC(CC#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1856539000 VGBOBJFTLDSXSC-BEFAXECRSA-N 411.506 1.825 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2nc(O)oc2c1)c1ccccc1C#N 1858018845 ONVNZYBSMNCJJZ-UHFFFAOYSA-N 400.416 1.736 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861364466 UVILKCXGWCRKNO-JOYOIKCWSA-N 403.262 1.888 30 10 HDEE C=CCn1cc(OCc2cccc(F)c2)c(=O)cc1CN1CCN(CCO)CC1 1870614629 VKRATSUYNWZVHL-UHFFFAOYSA-N 401.482 1.862 30 10 HDEE C#CCOc1cn(CCOCCO)c(CNc2ccc(CC)c([N+](=O)[O-])c2)cc1=O 1871007578 IXTFMILIOCZDHO-UHFFFAOYSA-N 415.446 1.952 30 10 HDEE C=CCN=c1nc(Nc2ccc(Cl)cc2C)[nH]c(N2CCN(CCO)CC2)n1 1871569565 QSPUGOALSZCOJC-UHFFFAOYSA-N 403.918 1.711 30 10 HDEE COc1cc2ncn(CC(=O)NCC(=O)Nc3ccc(C#N)cc3)c(=O)c2cc1OC 1873866817 GDDJECCVMGPYPP-UHFFFAOYSA-N 421.413 1.040 30 10 HDEE C#C[C@@H]1CC12CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)CC2 1891089722 IHDVEMLYDRLOKL-CYBMUJFWSA-N 411.321 1.989 30 10 HDEE C#CCO[C@H]1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCCOC)C1 1891781211 PUMVMQXSWKINLK-INIZCTEOSA-N 408.458 1.550 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)nn1 2017701522 ICXONNBRJGDBOO-LLVKDONJSA-N 400.277 1.464 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)NCCN2CCC#CBr 2018432307 HDIDALMDLYHFCO-KRWDZBQOSA-N 400.317 1.934 30 10 HDEE N#Cc1ccnc(C[S@@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074713808 YOXJSNCHNROUGI-HPGBDJQBSA-N 401.444 1.972 30 10 HDEE CC1(C)OB(c2cnc(N3CCN(S(C)(=O)=O)CC3)c(Cl)c2)OC1(C)C 2143435600 BFSBEBJYFSSATC-UHFFFAOYSA-N 401.725 1.116 30 10 HDEE COC1(CNS(=O)(=O)N2CC[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 2174783561 DGTNPDLXISVEGC-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@](O)(C(=O)C2=CCS(=O)(=O)CC2)CC1 2232541283 CERZCYLCCBIRBA-INIZCTEOSA-N 409.451 1.698 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243405486 HGKHWDWAUJGBBS-GJZGRUSLSA-N 403.288 1.776 30 10 HDEE CC1(C)OB(c2ccc(F)cc2C(=O)N2CC(NC(=O)C(F)(F)F)C2)OC1(C)C 2247768417 RFBFOFLKIVMEBW-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247919538 WTCYYTPPEKNOQI-JSGCOSHPSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247929837 AEMAIPSYKYUHAF-JKSUJKDBSA-N 422.331 1.745 30 10 HDEE Cn1ncc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2248244657 FULLUEAZCNCJPC-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(C)OCCO2)sc1B1OC(C)(C)C(C)(C)O1 2255742909 DCPTVNRMTUSJGO-UHFFFAOYSA-N 417.358 1.787 30 10 HDEE C=CC[C@@]1(CN)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2259552623 VSTKCTUZLKQIRF-FQEVSTJZSA-N 405.520 1.620 30 10 HDEE CN(Cc1nncs1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267368973 QNUCADHGHIUVOB-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC(C)(CNC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2281807986 AWDLJITYQUOKMF-UHFFFAOYSA-N 402.347 1.243 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@]1(C)CN 2282308087 MPPOFIROFORPAC-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](C(N)=O)C3)cc2Cl)OC1(C)C 2282316975 KNFMXWPRFWJPMZ-SECBINFHSA-N 420.749 1.197 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3COCCCO3)c2)OC1(C)C 2282339084 RUDFGXIDYLVHFR-CYBMUJFWSA-N 403.331 1.131 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](CN)C1 2282414686 WLGUYUSQKKBKLF-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE C[C@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282493972 YPHVOPJPWLRIGI-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC[C@H]1COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501510 XYBJQUMETYCMKC-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCNC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282835102 PKCXVOIIPOUOGP-RYUDHWBXSA-N 404.338 1.334 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@@H](N)C2)OC1(C)C 2282837099 RYUNGBGUPMHEOE-NEPJUHHUSA-N 401.363 1.132 30 10 HDEE C[C@@H]1COCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282839274 BDRLFERJAKFRRI-ZDUSSCGKSA-N 401.359 1.845 30 10 HDEE CO[C@H]1C[C@H](CF)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282860406 ZQACXPBKTFEOSW-NEPJUHHUSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(F)C[C@H](CN)C2)OC1(C)C 2282876391 CJLHWCAZGOXGCS-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE C[C@H]1CC[C@@H](CO)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877615 UKYPYQFAXOMNRC-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CCC3)s2)OC1(C)C 2284402832 LITRZRBZIPPPAV-CYBMUJFWSA-N 401.315 1.579 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363526905 NCKGLYWIWVQSOI-GDBMZVCRSA-N 413.565 1.801 30 10 HDEE C[C@H](C[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365243917 QESVTBXEUSHABE-KGLIPLIRSA-N 405.513 1.976 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819569 YEXSHBYTVBKEBH-FNHZYXHNSA-N 400.541 1.340 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367838735 HCJROSYOTLPNSR-GDBMZVCRSA-N 401.525 1.828 30 10 HDEE CC1(C(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)CS(=O)(=O)C1 2369900250 DWLJCSKPNMZDJG-UHFFFAOYSA-N 419.761 1.752 30 10 HDEE O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCOCC1 602314 ZBRHTUMWSDPCMI-UHFFFAOYSA-N 410.423 1.951 30 10 HDEE biogenic C=CC[C@@H](CO)NC(=O)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(C)C 410071020 PYCJUBVDPCZABL-ZFWWWQNUSA-N 419.341 1.805 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1 435264079 URWOPGXWKBOBAR-GQIGUUNPSA-N 408.520 1.950 30 10 HDEE Cc1cc(NC(=O)C(=O)N(CCC#N)CCN2CCOCC2)n(-c2ccccc2C)n1 446526620 ACGCYSLLYDXLCF-UHFFFAOYSA-N 424.505 1.502 30 10 HDEE C[C@]1(c2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cc2)NC(=O)NC1=O 465837285 PIDNOBFTDJMRRP-OAQYLSRUSA-N 407.430 1.491 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466101310 HOXZXQIHADSNAA-SFHVURJKSA-N 413.522 1.665 30 10 HDEE CCOCCCNC(=O)C1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466106815 KLMJSARKOIRVEV-UHFFFAOYSA-N 402.495 1.901 30 10 HDEE COc1cc(C(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)sc1S(N)(=O)=O 473442739 JPKDASSXVHHIKM-UHFFFAOYSA-N 421.500 1.959 30 10 HDEE CCOC(=O)c1ccc(C#N)c(SCC(=O)NC[C@H]2CN(CC(C)C)CCO2)n1 476832354 VTRLEUQCOGWDKA-INIZCTEOSA-N 420.535 1.695 30 10 HDEE Cc1ccccc1O[C@H](C)C(=O)N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 477586622 CMTGVEGTKCHWCD-QGZVFWFLSA-N 405.520 1.930 30 10 HDEE C[C@@H](Cc1ccncc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492963271 RPERGDMZLBPAFI-INIZCTEOSA-N 413.503 1.600 30 10 HDEE N#C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(Br)cc1 499392930 PYTIRFPUMYIHBE-MRXNPFEDSA-N 417.263 1.858 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)NCc1ccc(OC)cc1 506962448 VTHSBIYISOJSBN-UHFFFAOYSA-N 416.459 1.823 30 10 HDEE C=CCn1c(CCC(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508826949 PITYVZMSTBGKLP-UHFFFAOYSA-N 408.528 1.693 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 510604799 DGKMUPWNZBVKLY-QGZVFWFLSA-N 417.462 1.797 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@H]1CCCO1 514916286 DDELCWHUZLXFLU-CQSZACIVSA-N 417.556 1.488 30 10 HDEE C[C@@H]1C(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C(=O)N1c1ccc(F)cc1 518246803 SXHKYBSDXZLPRC-GFCCVEGCSA-N 402.407 1.723 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 524422057 XBGAWVYTJIVDCZ-CABCVRRESA-N 404.517 1.710 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2C(C)C)c1=O 530317881 FCKDSLHXSCEMBZ-UHFFFAOYSA-N 414.531 1.596 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 534604545 CNXIUVDPWRLSAK-SFHVURJKSA-N 423.538 1.604 30 10 HDEE N#Cc1c(Cl)cccc1SCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 543958390 FNYLTBOGWQBDFI-CYBMUJFWSA-N 413.952 1.635 30 10 HDEE COc1ccc(CCNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1OC 544882139 RSVITNXQCPBQQW-UHFFFAOYSA-N 409.490 1.451 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1 545181133 QMYIFMVAVCDZOF-UHFFFAOYSA-N 411.443 1.964 30 10 HDEE COc1ccccc1N1C[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1=O 546168722 USRCRPNOGXZPKG-INIZCTEOSA-N 405.458 1.664 30 10 HDEE COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546182316 AZEMWZFFIOWNQN-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CCCCN2C(=O)c3ccccc3C2=O)c1C#N 558989806 XGBFMJNJXAJQEO-UHFFFAOYSA-N 408.462 1.838 30 10 HDEE C[C@@H](C#N)CN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CC1 562175174 BSCGYTKIFJFQSL-NSHDSACASA-N 400.298 1.878 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(Cc1ccccc1)C1CC1 578820985 WRZUDMAEJMSUFR-SFHVURJKSA-N 417.535 1.966 30 10 HDEE CCc1cc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2)ncn1 586859248 XMFSBPLSUQOFGL-QGZVFWFLSA-N 410.453 1.451 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 611430907 FSJADOKFMNKGOU-RTBURBONSA-N 420.485 1.044 30 10 HDEE COC(=O)c1cccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 618524669 FUQQTPSMNGYAIL-UHFFFAOYSA-N 400.460 1.246 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2N)cn1 692139558 PSEHJFLWNPAVOH-UHFFFAOYSA-N 400.201 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(c2nc(B3OC(C)(C)C(C)(C)O3)cnc2N)C1 694980472 SBHXWLKEMMWZIO-GFCCVEGCSA-N 405.308 1.461 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)NC1CCN(CC#N)CC1 707371768 AAHWRBZMGQNDEO-UHFFFAOYSA-N 418.519 1.216 30 10 HDEE CC(C)(C)CC(=O)N1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 726585201 UZZJUIJHOXFYQR-UHFFFAOYSA-N 411.506 1.860 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 731886637 AGYSIRHRLHAUAH-OBOGJDLMSA-N 418.453 1.800 30 10 HDEE COc1cc(C)c([C@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732449313 GZKJRHTVGPEGGW-HVCBDAARSA-N 402.451 1.899 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=S)Nc3ccccc3C#N)cn2)CC1 732624433 PSRAHYWVDGHTDQ-UHFFFAOYSA-N 416.532 1.844 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)OCC(=O)NC3CCCCC3)C2=O)cc1 733761896 YOWJABSZGMMBMQ-QGZVFWFLSA-N 412.446 1.755 30 10 HDEE C=C(COC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC 734023274 PQIPILRZOVAJKK-ZFWWWQNUSA-N 417.867 1.126 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cc(Br)c2c(c1)OCO2 746163537 BKMHZXQCFKALCV-BMRADRMJSA-N 422.235 1.711 30 10 HDEE CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 751318472 DWZGJYXTULZOBE-AWEZNQCLSA-N 401.448 1.376 30 10 HDEE Cn1nc(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc2c1=O 756890033 ASWLNMJUICNGLG-CXAGYDPISA-N 411.462 1.351 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C)c(F)cc2Cl)CC1 760582474 PQCFHOPAEJOYAV-UHFFFAOYSA-N 401.891 1.233 30 10 HDEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 761679163 PTPPQBSMLZHZIN-YWMAMYRUSA-N 406.483 1.666 30 10 HDEE CCC(=O)N1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2C#N)C1 761852797 LCKLJCHXZVQACL-HOCLYGCPSA-N 413.503 1.637 30 10 HDEE C#CCOc1ccccc1-c1noc(-c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)n1 761996278 VNPYALWMONUAEF-UHFFFAOYSA-N 417.425 1.924 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1OC 766015652 IVNPHYCYWLPQJY-INIZCTEOSA-N 421.494 1.276 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)cc1 773971068 MECROVKJKQOOHE-GOEBONIOSA-N 409.508 1.748 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1nc(-c2cccc(F)c2)no1)[C@@H]1CCS(=O)(=O)C1 774240854 KCMSTTMJGLWAPI-SWLSCSKDSA-N 406.439 1.769 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C#N)cn1CCOC 775765203 JWICFQDOKARKIG-MRXNPFEDSA-N 414.466 1.387 30 10 HDEE Cc1nc([C@@H]2CCCCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 779700601 NATXUHMGWQBFOB-AWEZNQCLSA-N 403.464 1.560 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1OC 780863830 SKPZAJDUCDRXAE-FQEVSTJZSA-N 409.442 1.593 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(-c2ccccc2)c1C 786860673 IYTSZWYGHAQXTN-IBGZPJMESA-N 421.457 1.785 30 10 HDEE CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 787750576 GUPGOWOBEVIKIN-HOCLYGCPSA-N 408.524 1.027 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CCO2)c1 793013383 GZJOMWITULHMOB-GOSISDBHSA-N 422.416 1.522 30 10 HDEE C#CCN(C(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)[C@H]1CCS(=O)(=O)C1 793153595 KSEVAIZCHKDMCG-AWEZNQCLSA-N 406.895 1.800 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 794894354 XEJROBGOJDUXMG-RDTXWAMCSA-N 415.446 1.317 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C#Cc2ccccc2)CC3)CC1 803414872 GDTYARZQVDINIH-LJQANCHMSA-N 405.502 1.001 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](Oc2ccnc(CN(C)C(C)C)c2)C1 856599940 UVNLKIFLRAFCBN-APWZRJJASA-N 403.527 1.775 30 10 HDEE COC(=O)C1CCN(S(=O)(=O)NC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 919670573 MGYWEPXJTFLGLE-UHFFFAOYSA-N 420.447 1.110 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)C1 1116554070 FHLCVSGOFPASFR-GFCCVEGCSA-N 403.298 1.822 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1135762625 OFXYTZCPWHWOGT-UHOSZYNNSA-N 403.454 1.893 30 10 HDEE C=CCN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136358137 GBGKBSSWTLWLEX-DLBZAZTESA-N 423.535 1.719 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)N(CCC#N)CCN3CCOCC3)cc2)C[C@@H](C)O1 1142586000 ICNKZZXSGYPGSS-RTBURBONSA-N 400.523 1.988 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CS(=O)(=O)c1ccc(C(C)=O)c(F)c1)C(=O)OCC 1151573474 GHYQKJJCESUIBY-HNNXBMFYSA-N 419.858 1.993 30 10 HDEE C#CCC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCC1 1178552370 RTDDDRTVAIHZHR-UHFFFAOYSA-N 417.531 1.362 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)OC 1189691178 AGUQYQKYJGAKSF-QMMMGPOBSA-N 402.778 1.776 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OCC(C)C)CC1 1221310703 QVHGWTLAFHCRGE-UHFFFAOYSA-N 408.524 1.016 30 10 HDEE CC(C)(C)OC(=O)NCC1([C@H]2CCCCN2C(=O)NCC(=O)NCC#N)CCC1 1227977865 ZCYQIMMZWCCNHT-OAHLLOKOSA-N 407.515 1.885 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 1270779244 PFWHDYKTAQQMNZ-MRXNPFEDSA-N 409.508 1.889 30 10 HDEE Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1276706335 OKPSLMSNLAGBHP-XOUADPBQSA-N 418.247 1.730 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286296591 QIQNCLVEGIOCME-LIRRHRJNSA-N 406.483 1.016 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(CC(C)C)c2C)CC1 1286477096 NUTOZQQZCVKDSP-UHFFFAOYSA-N 421.553 1.643 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1286498961 MVPJATSQSLPDGY-HNNXBMFYSA-N 423.564 1.731 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1286629487 QOKWRZYZUBLRNC-OWCLPIDISA-N 411.934 1.902 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286769080 PJUXHJPXGRLXIT-INIZCTEOSA-N 421.571 1.804 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C#N)C1CCCC1)n2C 1288295078 ZHSREGQRDWIHNP-QGZVFWFLSA-N 417.535 1.955 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCO1 1288356896 AOIAOFUVJTUGIR-IAGOWNOFSA-N 414.466 1.372 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1289200916 BWFPHPTVQNHNDQ-UWJYYQICSA-N 409.467 1.949 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)c1 1290076645 CKRSCTKINKLKMT-HGHGUNKESA-N 413.478 1.434 30 10 HDEE COCCOCCc1ncc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[nH]1 1290415866 KPHBHNYFCUWGNC-UHFFFAOYSA-N 414.466 1.315 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1COCCO1 1291605090 GNDNBFAMJLBIRD-AEFFLSMTSA-N 411.510 1.800 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)n[nH]2)c1C 1295416446 JCGWGTCZWXFTKD-AWEZNQCLSA-N 420.539 1.947 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1298604090 DUSAPESELJLVHP-BMRADRMJSA-N 418.408 1.353 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2C)nc1 1300268537 RTQUCGFJMQQECG-MRXNPFEDSA-N 418.505 1.909 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(CC)CC)nc1 1300429820 CTMHUANMQIHMAA-HNNXBMFYSA-N 419.555 1.247 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2nnn(C)n2)CC1 1300690813 QZGWOBPGBWGBNC-UHFFFAOYSA-N 415.864 1.065 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOCC2CC2)CC1 1300719947 XDLWCILXJTVOTG-UHFFFAOYSA-N 423.521 1.518 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(N)=O)C1 1300869649 NJLWJSDWTCVHAJ-YVSFHVDLSA-N 407.515 1.295 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCC[C@H](O)C2)cc1 1302991189 DJEGULRNSGLOJV-AEFFLSMTSA-N 415.519 1.603 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)(F)C(F)F)CCO1 1303003092 CIVZULRUMPWXDG-NSHDSACASA-N 402.352 1.919 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CCC(=O)N1 1305121786 KZZOXXRCBJPVQL-HUUCEWRRSA-N 423.525 1.231 30 10 HDEE Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 1309036809 HUGVFXNYDUSOIR-UHFFFAOYSA-N 400.386 1.216 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1)c1ccccc1 1309619486 VOZMZNQITYAGEW-OXQOHEQNSA-N 413.455 1.403 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312470928 QFICGBCREMUHNJ-YCPHGPKFSA-N 404.471 1.262 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C2CC2)CC1 1313995363 BSASYRXQVKUNGW-JOCHJYFZSA-N 423.521 1.829 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)COCCO1 1314739855 HAJCXGUSIMTAPU-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCOCC2)C1 1316339469 BFYFUFLDYMYRMP-GOSISDBHSA-N 415.519 1.867 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CCC2=O)cn1 1352474398 NTYZUOMPCHXMCQ-MRXNPFEDSA-N 407.478 1.215 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1358890873 WLCXVTUAKAXDNN-NVXWUHKLSA-N 404.540 1.623 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358933363 QRFVZBZUQUTXEF-SFHVURJKSA-N 402.520 1.936 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NCC)CC1 1358933876 HFRHLZFXFBIGBQ-UHFFFAOYSA-N 421.505 1.994 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1359092016 VVZOEPGCSNXZEI-IKGGRYGDSA-N 411.572 1.854 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1359113877 SIMCWADFKMEBSE-WMLDXEAASA-N 400.570 1.451 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)C)CC1 1359304328 VLNRKPGGEYRYBK-UHFFFAOYSA-N 423.521 1.561 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)C(C)C)C1 1359312315 RRXAIATWBJPTQQ-MRXNPFEDSA-N 404.515 1.068 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](c3cnn(C)c3)C2)nnc1C(C)(C)C 1359335231 FGJKPZLZCCZZDD-HNNXBMFYSA-N 406.556 1.904 30 10 HDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1359342803 FPHAYZKDSNXKPW-KRWDZBQOSA-N 415.519 1.988 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1c1cccc(C)c1 1439615880 OIMLXIOUVSEIMY-VKRLORBYSA-N 415.515 1.301 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2F)c1 1446737988 YVZCYJACQJGAQQ-KRWDZBQOSA-N 419.409 1.575 30 10 HDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1456512488 QZMUYTDQCBLJHK-KRWDZBQOSA-N 414.380 1.482 30 10 HDEE N#C[C@]12CN(C(=O)CCSc3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 1463164350 RIWOPJJUWGNPNC-SCLBCKFNSA-N 408.501 1.337 30 10 HDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)ccc21 1463982355 FAUNQEPNEOGKAJ-UHFFFAOYSA-N 418.519 1.467 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1464052875 KCINWTUFWJZNEE-UHFFFAOYSA-N 404.513 1.381 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccnc2N2CCOCC2)s1 1464468876 HITLSQDKXILNRJ-UHFFFAOYSA-N 422.532 1.625 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2[C@H]2CCCO2)s1 1467914333 AICBVUMBPPFBBK-LSDHHAIUSA-N 400.522 1.161 30 10 HDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCN(S(N)(=O)=O)C1 1469266197 GAKMXDKKVAMXHA-JSGCOSHPSA-N 418.441 1.862 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 1469543372 BGUOPVRMKROZFU-SFHVURJKSA-N 413.503 1.359 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCc2nnc(S)n2C2CC2)CC1 1470656137 DYUXGHLIFZOGKZ-UHFFFAOYSA-N 415.498 1.987 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CC(=O)c3ccccc3O2)cc1S(=O)(=O)NCC#N 1471207439 JTVLRECZKYJPFD-OAHLLOKOSA-N 413.455 1.561 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2ccc(OC)cc2)cc1 1471437075 YUBLZWSRZZTEMY-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471585954 ZYSBLRQYSSLVOA-VLIAUNLRSA-N 414.474 1.976 30 10 HDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2cccc(C#N)c2)CC1 1471796681 HSUHKDODPXWDFX-NRFANRHFSA-N 406.486 1.439 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)C1 1471833032 NZPHGPHDYLLJDD-AEFFLSMTSA-N 409.577 1.300 30 10 HDEE C#CCN1CCC[C@H](Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1472875675 GFSXZAPTUWIBCH-INIZCTEOSA-N 421.523 1.040 30 10 HDEE N#C[C@]12CN(c3ncnc(C(F)(F)F)c3Br)C[C@H]1CS(=O)(=O)C2 1472892576 YNZRKELOQLWMBN-WRWORJQWSA-N 411.203 1.632 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2ccc(CCCNC(=O)C(F)(F)F)cc2)CC1 1475209161 FYAUHPNHBNAXBZ-UHFFFAOYSA-N 417.453 1.237 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)c1 1475714291 DGIJEEYIFIFFFF-UHOSZYNNSA-N 424.519 1.186 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1493417930 DILKLTDTCUMULE-WSQOEDGESA-N 414.510 1.933 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2COc3ccccc3O2)n1CC(C)(C)O 1504887317 BNBSOPVPLRKNBB-KRWDZBQOSA-N 401.467 1.928 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](COC)OC 1507521103 KKXFMLBWZYJWSV-GOEBONIOSA-N 406.508 1.468 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1507633384 SCXOYKKUQHRTIW-QZTJIDSGSA-N 424.567 1.963 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1507885034 QAPBVKMABQCWDD-CABCVRRESA-N 407.540 1.251 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1507967628 ITELDNDGHKCOKN-GJZGRUSLSA-N 407.544 1.593 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1507984393 VQOXZJDFQCAOJE-MRXNPFEDSA-N 413.507 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccsc2)C1 1508122049 HPMCGCPMMMLZNI-JXXFODFXSA-N 417.535 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)C1 1508144750 UCIHSVQPCHEFPO-UHFFFAOYSA-N 405.524 1.480 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCCCC1=O 1509636668 CNPYQOWPQKPNJY-IBGZPJMESA-N 405.478 1.261 30 10 HDEE Cn1cc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)CC2)cn1 1514879378 DYLMEZOZWTZGJV-HNNXBMFYSA-N 412.881 1.647 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1534310071 KZFYDIYRACWJCE-OAHLLOKOSA-N 403.483 1.899 30 10 HDEE N#C[C@]12CN(C(=O)CCc3cccc(F)c3Br)C[C@H]1CS(=O)(=O)C2 1537006684 WLJFTKVBDRYACU-BLLLJJGKSA-N 415.284 1.918 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(C)(=O)=O 1538982624 HSRJXKRJZXWPKS-CYBMUJFWSA-N 406.468 1.251 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1539072209 NFTHJJLSPBQTBB-AWEZNQCLSA-N 417.482 1.260 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOC3CCSCC3)C2=O)cc1 1539122334 YIKCOGSQEZJABW-QGZVFWFLSA-N 416.503 1.792 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1539203935 WFSWRWPVBYJGFL-HNNXBMFYSA-N 419.507 1.051 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539222110 TUJJIEIBBHFEON-ROUUACIJSA-N 415.519 1.160 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1CC 1539325665 LDDULDHLAXVJDK-LJQANCHMSA-N 417.473 1.913 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(F)(F)F)CC1 1539430937 PCKAUNDFTHTKTH-KRWDZBQOSA-N 401.433 1.636 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC(C(N)=O)CC1 1539500395 XWUNLGKESZUAKU-UHFFFAOYSA-N 414.491 1.921 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccn2)CC1 1539874735 OVCLWZTZRQGNRE-OAHLLOKOSA-N 404.540 1.928 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1540855026 UOZATLBOEFLJMQ-OAQYLSRUSA-N 410.478 1.954 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1I 1542234914 GLAUGKBWJLQLHZ-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1543136618 ARDDUCMIKHJTGU-CVEARBPZSA-N 418.556 1.898 30 10 HDEE Cc1nnc(N2CC[C@H](OCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543241195 JEMKKEUBQSMYKC-MKSIGINJSA-N 422.489 1.908 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H]1COCCO1 1543346097 POYXVPAEWUQXAT-WMZOPIPTSA-N 401.463 1.924 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C(=O)OC)C[C@@H]1C(=O)OC 1546069337 KCKHJJHJPMMWEH-QLFBSQMISA-N 410.467 1.246 30 10 HDEE CN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cccc(C#N)c1 1552729233 GFADMNQDFXRVDV-UHFFFAOYSA-N 421.461 1.602 30 10 HDEE C=CCC1(O)CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1558422297 ZTDBPIXCEJHPFU-OAHLLOKOSA-N 416.540 1.340 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(N4CCN(CC)CC4)C3)ccc2c1=O 1558536073 RZBAONWACXPLAV-UHFFFAOYSA-N 413.547 1.333 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCO2)cc1 1558603965 DXFMFKIKNBAHCN-LJQANCHMSA-N 423.429 1.866 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 1561725245 RBQHKILANGLUKM-UHFFFAOYSA-N 411.476 1.594 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1 1564997292 HLAXJUDJOSQOPS-PXNSSMCTSA-N 405.882 1.674 30 10 HDEE CCCCOC(=O)CNC(=O)[C@@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 1565651958 RIJDZERRUGAMOQ-OAHLLOKOSA-N 409.508 1.743 30 10 HDEE Cc1cccc(CN(Cc2cccc(C)n2)C(=O)Cn2cc(C#N)c(O)nc2=O)n1 1566226832 CKMAMFJCKQWYMV-UHFFFAOYSA-N 404.430 1.456 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1566389526 XRXFCGAOHPMMMW-MLBPIDQTSA-N 413.540 1.713 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)N1C[C@H](C)C[C@@H](C)C1)c1cc[nH]n1 1583394677 XCADKEOSRKFTIU-HUUCEWRRSA-N 407.515 1.566 30 10 HDEE CO[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCOC1 1584224460 PSTGZTLIOCQOPD-UGXBSWJRSA-N 407.511 1.941 30 10 HDEE N#Cc1nc(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1Br 1585750156 MNAOGQUFLSUVKO-PVFTVIPPSA-N 401.220 1.461 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)[C@@H](C)C#N 1587000675 MZWLYTQNKUVFGY-HNNXBMFYSA-N 408.524 1.396 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1587579227 DSSNDGFLHSJSBB-OAHLLOKOSA-N 419.551 1.814 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1588266545 RSXBRXHNYYKURM-IRXDYDNUSA-N 410.588 1.468 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCOc3ccccc32)CC1 1588732833 HLBFWEOZNTWGMP-SFHVURJKSA-N 422.533 1.738 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(SC)CCOCC2)CC1 1588877037 SJQKUUCCNDCHAS-QGZVFWFLSA-N 405.568 1.797 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)F 1589163162 IQGQNHRTRGIPOS-RTBURBONSA-N 411.453 1.304 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN1CCCO 1589207851 QZNACWCFDUEKOU-LLGFUMIMSA-N 400.527 1.068 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2COCCO2)C1 1595674817 UUXPQVYBGUTESU-HOTGVXAUSA-N 414.466 1.122 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(S(C)(=O)=O)CC2)C1 1595714917 QNPJIGWPVROQKG-CQSZACIVSA-N 404.496 1.094 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3cncn3C2)cc1 1596419851 FMJPJCOWWQYBSN-RJHYDAJSSA-N 401.492 1.897 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1596593603 XYTWQOWXPMSIMI-UHFFFAOYSA-N 408.520 1.559 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@](C)(C#N)C3)CC2)c(C)c1 1617894191 CDURCLXZLMRPEY-HXUWFJFHSA-N 405.520 1.845 30 10 HDEE CC1CCN([C@@H](CNC(=O)CCn2cc(C#N)c(O)nc2=O)c2cccs2)CC1 1618113174 CSJCLQVLWJUMRS-INIZCTEOSA-N 415.519 1.862 30 10 HDEE COC(OC)C(=O)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1620315731 XZUVGGYPEOAAFQ-GFCCVEGCSA-N 406.508 1.199 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1 1620505588 FTMWEAYPOVWLHU-TUKIKUTGSA-N 400.504 1.762 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)c1 1620689226 KGNMOVMNPRVPCX-UHFFFAOYSA-N 405.520 1.720 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1 1625159422 AZSZHQKYBZVBMS-ZWKOTPCHSA-N 414.487 1.800 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c(Cl)c1 1628786277 BZUJFEPVPIGIRN-UHFFFAOYSA-N 419.894 1.941 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@@H]1C 1632920572 DWKSBNFSMYMGIK-HOTGVXAUSA-N 410.515 1.669 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(CC)S(C)(=O)=O)CC1 1633273481 MENJGUYHIDXSMF-INIZCTEOSA-N 415.556 1.566 30 10 HDEE C#C[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@@H]1CCCO1 1634529328 ACZPUVGZTRRLBX-ZOBUZTSGSA-N 403.483 1.761 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](OC)c2ccc(Br)s2)CC1 1634876638 XSVRUWHPDZNXNP-HNNXBMFYSA-N 414.325 1.092 30 10 HDEE C=CCC[C@H](CO)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1634986122 BFPPHABGOWVPTO-IEBWSBKVSA-N 407.486 1.470 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1635343165 NMZURLQXNWMREJ-GJZGRUSLSA-N 411.480 1.439 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)cn1 1635749629 OSPCADNNGGJRNV-CYBMUJFWSA-N 405.436 1.185 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(CC(=O)OC)C2CC2)s1 1636021157 AEZLXKZVTAJJCX-QGZVFWFLSA-N 400.522 1.603 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCCCC2)CC1 1637007645 KGZWISSJOQUAMC-UHFFFAOYSA-N 409.512 1.781 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)NCC2(C#N)CCOCC2)C1=O 1637331817 GOHIBTSBFCVEEQ-GOSISDBHSA-N 422.844 1.683 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1c(F)cc(O)cc1F 1638644066 YROJIWNTZGEMNF-GFCCVEGCSA-N 402.405 1.795 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1ccccc1 1638916790 LXTRDAKRJSPPGV-SFHVURJKSA-N 400.504 1.918 30 10 HDEE CNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c(C)c1 1639521892 CLJVCCPJPLZJFX-UHFFFAOYSA-N 419.434 1.809 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 1640645213 CNKQWSNFUUCSHO-ZVZYQTTQSA-N 422.503 1.075 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1640677934 LZGXUDSLUUAEJG-GUYCJALGSA-N 415.389 1.735 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)[C@H](O)c3cccnc3)ccc2c1=O 1642580134 SRBRTBQFGYDDJT-DLBZAZTESA-N 412.471 1.091 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 1643896579 LQINIPVFYTVUSS-IAQYHMDHSA-N 405.398 1.405 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3c4ccccc4C[C@@H]3O)C2=O)cc1 1644149111 XQLQJXNIGOMDAD-BJLQDIEVSA-N 404.426 1.538 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](C(F)(F)F)CC1 1644820962 AXWVVIMCJHGIBQ-RISCZKNCSA-N 405.398 1.405 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCC[C@@H]1CCOC1=O 1644887659 TWLTWZPLSWQQRS-OAHLLOKOSA-N 421.519 1.745 30 10 HDEE Cc1c(I)ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1C 1646038836 JIOMJDAOCXEPTK-UHFFFAOYSA-N 424.198 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)cc1 1648113076 NGQBJGQSDRIRAQ-UHFFFAOYSA-N 421.519 1.986 30 10 HDEE Cc1oc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1S(C)(=O)=O 1649040215 AJOKTMRXSCSSBV-UHFFFAOYSA-N 406.416 1.509 30 10 HDEE N#CC1(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CCOCC1 1651512354 RTYNMNNIOUZMTG-UHFFFAOYSA-N 410.452 1.348 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN(c3ncccc3C(N)=O)CC2)cc1 1653834715 HUDFLIPEXOZQIG-UHFFFAOYSA-N 400.504 1.810 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCO1 1654268036 WNYKBUFFPPSVLM-KRWDZBQOSA-N 416.526 1.660 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1 1654984976 WTPPTGVFEAYYQR-HZPDHXFCSA-N 400.541 1.078 30 10 HDEE C#CC(C)(C)N(C)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1658236386 FALUMYJVEBYJRQ-UHFFFAOYSA-N 407.536 1.614 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 1658321630 XKGWXNYWAYPJIE-HNNXBMFYSA-N 423.539 1.077 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)nc1=N 1658389444 PPHRSKMFUFNQRQ-HNNXBMFYSA-N 406.412 1.551 30 10 HDEE CS(=O)(=O)N1CC(CN2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1 1660442613 VSTQQVOPVXSBBF-DTORHVGOSA-N 416.334 1.981 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1662927465 HQBNVYFERDVWBS-JTQLQIEISA-N 421.269 1.727 30 10 HDEE CS(=O)(=O)c1ccccc1CCNS(=O)(=O)c1c(F)cc(C#N)cc1F 1664100129 IBAPIHKHYDEAJK-UHFFFAOYSA-N 400.428 1.761 30 10 HDEE CN(C)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1665932551 DOSNLCALNPJGTA-JTQLQIEISA-N 418.288 1.949 30 10 HDEE C#CCN(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CSC1 1668319268 XZZICSRNNHUDLL-UHFFFAOYSA-N 408.549 1.205 30 10 HDEE C=CCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1670240320 VYWAIENIUPFRDT-NWDGAFQWSA-N 414.446 1.746 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC3(c4ccc(F)cc4F)CC3)C2)c(=O)nc1O 1670672554 IVTIXSYPEFXHPI-UHFFFAOYSA-N 401.373 1.397 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 1672545939 ISHOYAHBLHMKMH-UHFFFAOYSA-N 400.479 1.339 30 10 HDEE CCn1nncc1CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1674638429 YPOBSXHTZYOTEG-UHFFFAOYSA-N 411.445 1.509 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccnc4ccnn34)CC2)cc1 1675068206 ICYBHFGZLICALU-UHFFFAOYSA-N 411.447 1.139 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CC1 1677947333 SHQXQWRDEVVCPJ-UHFFFAOYSA-N 400.523 1.377 30 10 HDEE C#CC1(NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CCCC1 1682992353 UQDWBJVTWDXHTC-UHFFFAOYSA-N 405.476 1.076 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)C2)nc1 1687789514 CVSANQPPSIQYEV-CVEARBPZSA-N 408.466 1.314 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689851816 VWAPQXKKDXZZSL-FJIDUMEYSA-N 421.567 1.444 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCCS2(=O)=O)c1 1689868230 ABYNBYKIRLJICH-GOSISDBHSA-N 415.519 1.610 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCC2)CC1 1689913002 FTSAMTFWRJSFIZ-MRXNPFEDSA-N 408.572 1.366 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](OC)C(C)C)CC1 1690110618 UGKIEBIQUAVLTQ-QGZVFWFLSA-N 411.510 1.352 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@@H](C)C2)CC1 1690111570 FNJLDXJBJBXMQM-IKGGRYGDSA-N 408.572 1.080 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1690174728 IXPHAZOYYXAJKW-OAHLLOKOSA-N 407.565 1.677 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccnn2)CC1 1690485039 JZBXKVOCIVIBOX-MRXNPFEDSA-N 417.539 1.263 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cn2ccccc2n1 1690622563 SASYYIJVFFBJBV-QGZVFWFLSA-N 409.494 1.758 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1690653065 AQSYUFRWPZZKHE-LAUBAEHRSA-N 420.558 1.153 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1690655126 HZTKHSPIJIKEKU-ROUUACIJSA-N 418.542 1.916 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 1690671851 ALXTUSDIFHDAIS-OAHLLOKOSA-N 406.531 1.836 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690750422 JATQLIXEKAATGA-AWEZNQCLSA-N 408.528 1.207 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1OCCC1(C)C 1692788064 SKUZYTBDTASUEX-GDBMZVCRSA-N 424.571 1.833 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@@H]21 1696501324 CYDFTLDOQBXKBD-IRXDYDNUSA-N 400.508 1.745 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2CCCCCO)CCO1 1698491027 OZMDHUXDUGVTCB-ZDUSSCGKSA-N 409.288 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705490828 RKVNKELEIFBKAI-HZPDHXFCSA-N 402.524 1.388 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705496287 CTOIQFVCQKOXAK-IFXJQAMLSA-N 422.938 1.530 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(OC)c1OC 1705540396 YQFYNTIRZGEXEL-UHFFFAOYSA-N 413.478 1.658 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(C)(C)N1CCOCC1 1705572689 KKINTSPECSGBBB-UHFFFAOYSA-N 421.505 1.109 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC(F)F 1705576612 NKCPLNMYVHKJHG-UHFFFAOYSA-N 422.457 1.703 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)no1 1705581031 VCDIRIJWOVVUTC-UHFFFAOYSA-N 423.502 1.656 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCSC1 1705625048 UYDBSDUMMJGWLB-FQEVSTJZSA-N 402.520 1.908 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705632040 GJJPCUZNRDZBNV-HTAPYJJXSA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(N(C)C)CCC2)CC1 1705634737 HOZAQZVGLHKJHW-SFHVURJKSA-N 404.559 1.242 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705685546 CIZDXRXYVCKMKI-CHWSQXEVSA-N 421.361 1.950 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1705734485 QLGHZICONNXOBM-UHFFFAOYSA-N 406.512 1.014 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H](C)N(C)C 1706852202 ANLUMKORJDBYPV-GJZGRUSLSA-N 419.555 1.346 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1(N(C)C)CCC1 1709141750 CYNFNWLIEJNIFY-INIZCTEOSA-N 409.542 1.702 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN(C(C)=O)C2)cc1 1711774430 FOQJNQUIVAWRQB-FXAWDEMLSA-N 424.505 1.941 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCOCC1 1712454568 PKRPYLBPXIHEOS-MSOLQXFVSA-N 406.531 1.259 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1722282053 KVYPHNFEQHTLTA-INIZCTEOSA-N 416.493 1.745 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOCCS(C)(=O)=O 1722358138 XNFKHLRTQMTJCX-HZPDHXFCSA-N 412.556 1.327 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(OC)c1OC 1722401121 LYRNLLMAOBJYKS-UHFFFAOYSA-N 421.501 1.929 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1CCCCS1(=O)=O 1722424685 WEJPKYYCMHFRCA-SFHVURJKSA-N 402.520 1.998 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)OC)CC1 1722695994 XDTWLJCUSKATQG-UHFFFAOYSA-N 412.494 1.698 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722702177 GKMMLGCNNKKUQI-MOPGFXCFSA-N 422.489 1.881 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(O)c2)C1 1722711643 WCKXAZRCUVMRGY-WMLDXEAASA-N 421.523 1.424 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)C1 1722716556 ZTWIRETVJZUHQU-STXHMFSFSA-N 401.467 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1722727483 OSTPLTFRVBLDPR-WMZOPIPTSA-N 423.583 1.303 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CCO1 1722841486 DSSNHLCURLKWEM-PMACEKPBSA-N 422.489 1.503 30 10 HDEE CC(C)(C)n1ncnc1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1722969177 MNICSCGBKUIEST-CABCVRRESA-N 400.487 1.296 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCOC2)CCOC1 1723679052 SYNDEKJKGBGIIL-LEWJYISDSA-N 419.526 1.600 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1C 1724000910 BCNNCNGAMKNSNJ-UONOGXRCSA-N 412.429 1.463 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1729749131 CILSTIYSULDFMG-KRWDZBQOSA-N 410.478 1.684 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1730801792 MSWOKVQTFGGJGA-MAUKXSAKSA-N 400.483 1.799 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)CCO1 1731188333 DSYDCBWLTNBBHW-MRXNPFEDSA-N 410.482 1.257 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NCC)CC1 1740576807 HTBWMJNWZOHAGJ-UHFFFAOYSA-N 401.515 1.056 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740622583 ZNAHURLPSSZLFD-HOTGVXAUSA-N 418.519 1.615 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(N)=O)cc2)CC1 1740694850 VSTBRGPEEXLRGX-IBGZPJMESA-N 423.521 1.814 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)CC1 1740833576 SZXLZVFTNOOELF-HNNXBMFYSA-N 419.555 1.632 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(S(C)(=O)=O)CC1 1740956689 YBQVRHPTDHPPKL-UHFFFAOYSA-N 403.508 1.261 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](CC)C2)nnc1[C@@]1(OCC)CCOC1 1740964467 CNAJVHMFRUUPLL-TWOQFEAHSA-N 407.515 1.236 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1740980059 HAYNUCJQWFXXSS-JKSUJKDBSA-N 410.540 1.388 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC1 1741046250 ZIAMRKLSONXLLN-IBGZPJMESA-N 410.478 1.291 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1741607067 CKNKFKFWYDGMGA-UHFFFAOYSA-N 404.540 1.638 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1748821651 RZTPAFDYMILEDX-LJQANCHMSA-N 416.547 1.727 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1748843396 CWZMUOTVDXDCIA-INIZCTEOSA-N 417.473 1.246 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749120528 FQLAHMCRMYNSKG-FUHWJXTLSA-N 411.510 1.388 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1749590898 ISYCPCBKARDKRS-DYESRHJHSA-N 401.511 1.677 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749741197 SQNLVLDQINILJS-JXFKEZNVSA-N 421.567 1.818 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)(=O)CC3)n2[C@@H]2C[C@H]2CF)cc1 1750384893 UELHCYIWRZRGOF-GOEBONIOSA-N 405.455 1.494 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1760095729 XLXVCIFDEAYEEU-HNNXBMFYSA-N 410.478 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760198314 DWWKNPXLKQSTBJ-HNNXBMFYSA-N 417.922 1.891 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(C(=O)N(C)C)CCCC1 1760249669 PYTPBJVWOGKDLO-SFHVURJKSA-N 417.554 1.907 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@](C)(O)C2CC2)CC1 1760269278 DETVGFQUJJNUCA-PGRDOPGGSA-N 415.538 1.647 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1760306195 DHQLPCXFWZNWKU-CQSZACIVSA-N 412.332 1.995 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1760404915 NURXXQDVEVPPCB-IBGZPJMESA-N 422.576 1.882 30 10 HDEE C=CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1760443803 MYGBMAWLCKZWTP-NRFANRHFSA-N 421.542 1.580 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1760687786 TUNYZZFSWPWJJZ-QGZVFWFLSA-N 403.531 1.222 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCN2CC)CCOC1 1767481159 BHHQMKLERIZHQG-MBOZVWFJSA-N 404.515 1.143 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1769418428 ATBWDZYDHUWJPT-GUNSETOZSA-N 413.503 1.727 30 10 HDEE COCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769731483 XTHQGODNUBIZMQ-SFHVURJKSA-N 411.510 1.802 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1849399698 PHLAANPLAVRUOM-UHFFFAOYSA-N 421.519 1.870 30 10 HDEE CS(=O)(=O)N1CC(C(=O)OC[C@@H](C#N)Cc2ccc(Br)cc2)C1 1850563212 VJDXMNBXMILEKC-GFCCVEGCSA-N 401.282 1.566 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(O[C@H]4CCOC4)nc3)CC2)nc1 1853281389 RQPHFRHRDBDXOH-IBGZPJMESA-N 423.473 1.495 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2conc2C2CC2)C1=O 1854222836 BASFRPPWZPLPMF-SJORKVTESA-N 400.479 1.792 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1855597559 FYNXWZQGZYNARY-AEFFLSMTSA-N 400.483 1.071 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCCN(C(=O)[C@@H]3COCCO3)C2=O)CC1 1855708051 RYQZETPMTOHASN-UXHICEINSA-N 411.502 1.867 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnc(Cl)c1 1856005084 OVJFPPMZEWFEAB-UHFFFAOYSA-N 418.862 1.999 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)COc4ccccc4)C(=O)C3)C2)s1 1856275579 NDTWKVCXIDLWQV-QGZVFWFLSA-N 424.526 1.944 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCC(=O)N2c2ccccn2)C(=O)C12CCCCC2 1856627653 JEXQDXXQVXEEDG-QGZVFWFLSA-N 409.490 1.864 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(OC(F)(F)F)cc1 1856832548 RJLXGCQQPUYRCH-JTQLQIEISA-N 405.354 1.247 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)CSc2ccccc2)C1=O 1857151626 XEVTVZRVWIWOPX-GOSISDBHSA-N 422.514 1.388 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@H](CN4CCC5(CC4)C[C@H]5C#N)CC3=O)cc2n1 1857213244 GVXOSGSSMQDPSW-IRXDYDNUSA-N 406.490 1.961 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CC1=O 1857217470 MSXKIJIGCXQFIA-MRXNPFEDSA-N 403.504 1.704 30 10 HDEE COc1cccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2C#N)c1 1858194169 CBBPLGQOMQDPTR-INIZCTEOSA-N 406.485 1.949 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206820 WIKMXQQXGORKGK-WBVHZDCISA-N 406.914 1.214 30 10 HDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCOCC1 1870350234 VXACEPBKEHCKRN-UHFFFAOYSA-N 410.474 1.267 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCNC(C)=O 1870632964 BGQDXNASHOODGN-UHFFFAOYSA-N 418.538 1.406 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(C[C@@H]3NC(=O)N(CC)C3=O)CC2)cs1 1890292436 KXCZTMHZSUUZPO-ZDUSSCGKSA-N 419.507 1.242 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1984814627 VZZPGRBDIHPILT-QHCPKHFHSA-N 415.534 2.000 30 10 HDEE CN([C@@H](CC#N)C(F)(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2000606751 AWGYCYQRFMKJHD-ZDUSSCGKSA-N 403.382 1.779 30 10 HDEE C=C[C@]1(O)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074497061 AOUPLAZOOMERJA-OALUTQOASA-N 410.467 1.354 30 10 HDEE N#Cc1cc(C[S@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 2074695908 NEJLUIZLMWKYAO-YMGMXPECSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(C#N)cc1Cl)C(=O)O 2151771944 XANZAXDPAWJDQG-LBPRGKRZSA-N 417.871 1.858 30 10 HDEE C#CCN(C(=O)[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180118953 CALVYZIXYIKLDZ-RYUDHWBXSA-N 412.430 1.481 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 2186720529 JIILGHQTDIFGNP-HOTGVXAUSA-N 402.442 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243714658 NBEJAIPWRNWJOS-HUUCEWRRSA-N 408.304 1.498 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)C1 2244250682 UQCPSKKTGUBFOM-UHFFFAOYSA-N 417.428 1.963 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247823284 MWGBOVIRCYSTQE-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CN(CCCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)Cc1ccccc1 2247844503 CORIFLZQQKSRKY-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269035357 WUNKFOQAMXHODF-SNVBAGLBSA-N 407.344 1.142 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270535107 UBHGEZZUNJZGRK-QZTJIDSGSA-N 422.503 1.423 30 10 HDEE COCCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C1CNC1 2281979375 CVRPTEMQVLPHBS-UHFFFAOYSA-N 400.737 1.761 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282309886 MJQHXGIXAZAKIA-CYBMUJFWSA-N 401.359 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)C1(CO)CC1 2282314366 YLVSGCOGYMOJQV-GFCCVEGCSA-N 401.359 1.795 30 10 HDEE CC(C)(O)C1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331597 PIKLNQCXFWTEQR-UHFFFAOYSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H]3CCO)s2)OC1(C)C 2282340910 LHGVFLJQNBPMGO-CYBMUJFWSA-N 401.359 1.973 30 10 HDEE CC(C)(C)[C@H](CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495616 ORGZIOWJIMUXIB-LBPRGKRZSA-N 403.375 1.980 30 10 HDEE CC[C@H](N)CN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498865 KOLLDPZEDHBOQX-AWEZNQCLSA-N 402.391 1.936 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@H](CN)C2)OC1(C)C 2282500047 HMMSHLYRMXOREL-ZDUSSCGKSA-N 400.375 1.548 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282514453 DDAMPCJNAZPXOZ-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2282517151 PZRCGKTXHUMWIP-LLVKDONJSA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=c3nc(CCN)[nH]s3)c2Cl)OC1(C)C 2282661835 SRLUVYPTMRZBAS-UHFFFAOYSA-N 414.749 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(N)CCC1 2282829339 DACDLXKPIZXRSW-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCO1 2282849583 DGXPDVVVRNIBMH-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H](O)C(F)(F)F 2282850804 TURLJBBQMVNYCP-LDYMZIIASA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H](N)C(F)(F)F)c2)OC1(C)C 2282852722 STOLOACBTPSMSB-SNVBAGLBSA-N 414.280 1.605 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCC[C@@H]1O 2282856539 UOJYXNITVWOREP-YUTCNCBUSA-N 401.359 1.875 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2365202419 NWCUSWLUJVFWGX-LSDHHAIUSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CCN1C(=O)OC(C)(C)C 2367800328 IUHPDTLCBXKCGB-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2368319226 PIVQVBXUTGXGDK-JJTUDDRGSA-N 400.541 1.188 30 10 HDEE C=CCn1c(=C(C#N)C#N)s/c(=C/c2cc(Br)ccc2OC)c1=O 3284839 ODUJPGHUIZRZSZ-OVCLIPMQSA-N 402.273 1.894 30 10 HDEE C#CCN(CC(=O)NCCc1ccc(OC(F)F)cc1)[C@H]1CCS(=O)(=O)C1 111046306 ORMGEBDAFZCEBY-HNNXBMFYSA-N 400.447 1.069 30 10 HDEE COc1ccc(-c2nnc(N/N=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)[nH]c2=O)cc1 169898937 KYRWJDYQGOYGNY-DJKKODMXSA-N 412.362 1.909 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2sccc2S(=O)(=O)NCc2ccco2)C1=O 410106425 JSKUPXCJEFRGRJ-AWEZNQCLSA-N 423.516 1.679 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3CCCC[C@@H]3C2)CC1 426830568 ZBKFSCLCDICYHD-RTBURBONSA-N 416.547 1.513 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]2C 440163743 MNXHWLBBQJKIFD-UONOGXRCSA-N 416.507 1.543 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(-c2ccccc2C#N)c1=O 440374428 LFCPPUHUUAMMPL-UHFFFAOYSA-N 416.462 1.454 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 443862941 VOFJBCZTFHQWCZ-YXWSMURKSA-N 413.430 1.660 30 10 HDEE CN1CN(C(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(Cl)c2)CC1=O 462935163 HAWSBJMEJWYHLW-UHFFFAOYSA-N 412.833 1.987 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 468274556 NGURSPZSKZXFEC-OAQYLSRUSA-N 423.429 1.068 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)cc1C#N 478001661 MTIVEARRRNWRBM-UHFFFAOYSA-N 423.473 1.832 30 10 HDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1OC 479821571 HGBKCDMLEJMQPB-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(CCN4CCOCC4)c3)cc2C1=O 487262172 NFIXCDLOOYNYHH-UHFFFAOYSA-N 409.446 1.250 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C#N 489122448 KETZBQPCMCYZQI-UHFFFAOYSA-N 402.451 1.938 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(C)(C#N)CC1 506016419 BOIXXCKWANPQDC-MRXNPFEDSA-N 420.535 1.660 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 509470798 SVZOZFJCSKIDAB-OAHLLOKOSA-N 404.517 1.727 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NC2(C#N)CCN(C)CC2)cc1 520991275 VDNATMLWUYVWPD-UHFFFAOYSA-N 408.524 1.200 30 10 HDEE C=CCNC(=O)CN1CCN(c2cc(C(F)(F)F)nc(-c3cccnc3)n2)CC1 521917598 XBIIMNUDKGGXAK-UHFFFAOYSA-N 406.412 1.982 30 10 HDEE C[C@H](Sc1nncn1C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 523357555 YWKIHTUMVDFLPP-SMDDNHRTSA-N 402.505 1.708 30 10 HDEE Cc1cc(NC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)nn1CCC#N 540815409 LHLDOGHQXHDLNL-UHFFFAOYSA-N 401.515 1.513 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2cccnc2)C1=O 542453344 YSILHOFURAPXSH-WBVHZDCISA-N 420.477 1.159 30 10 HDEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546174981 YIKCCWGELYLWRV-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE N#CCSc1ccccc1NC(=O)CN1CCCN(S(=O)(=O)C2CC2)CC1 549105359 NLDXYKHLVSCHRG-UHFFFAOYSA-N 408.549 1.741 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccccc2)CC1 555150422 LISWLCSSDRFCMC-UHFFFAOYSA-N 417.517 1.813 30 10 HDEE CCS(=O)(=O)N1CCC(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 573507942 PFFDBEOORIGKIX-UHFFFAOYSA-N 403.501 1.178 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CCC1)CC1CC1 577785602 SVNUGKXAYAIUHP-KRWDZBQOSA-N 409.556 1.814 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 583275378 CJBCOOUFCCAIKO-HNNXBMFYSA-N 414.514 1.390 30 10 HDEE C[C@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(O)nc(=O)n2C 585158438 LGGQTEKJJQFWSF-LLADZKGESA-N 421.255 1.425 30 10 HDEE N#Cc1c[nH]ccc1=NC(=O)CCN1C(=O)COc2cc(Br)ccc21 609786167 GNQJUUSJHDWUCD-UHFFFAOYSA-N 401.220 1.892 30 10 HDEE CC(C)N1CCN(C2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)CC1 611181146 PGJSPEXUHOJZTH-UHFFFAOYSA-N 404.580 1.822 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCc2nn(CC)c(=O)cc2C1 669809065 BRZLMZOUWKTJTL-UHFFFAOYSA-N 406.446 1.999 30 10 HDEE C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670211036 KKYRSLOFCRXURZ-PXNSSMCTSA-N 411.554 1.849 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CO)c3nc(-c4ccccc4)no3)cc2C1=O 672047255 UPXGGGUOJNEIAX-QGZVFWFLSA-N 418.409 1.982 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)CN3C(=O)N[C@](C)(c4cccc(C#N)c4)C3=O)cc2NC1=O 727977278 WJIJJJQUISEJKU-AMXDTQDGSA-N 418.409 1.928 30 10 HDEE CC(C)[C@@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)C1CCCCC1 732155718 DCAPNVGIQHPBGH-HMNTXPNISA-N 411.524 1.401 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732675701 ZKYNWBZVQLGCBI-SFHVURJKSA-N 419.551 1.597 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2CC(=O)OCC)cc1 733785284 UOLRNEVZRVAHMN-UHFFFAOYSA-N 400.456 1.956 30 10 HDEE O=C1CN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2Cl)CCN1 733888406 APQSLXHPEFFUKA-HNENSFHCSA-N 417.853 1.131 30 10 HDEE N#C[C@H](C(=O)CN1CCC[C@@H](C(=O)N2CCCC2)C1)c1nc(O)c2ccccc2n1 741788849 IGSIAQKRZNWLCR-NVXWUHKLSA-N 407.474 1.846 30 10 HDEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1C#N 747614085 KMOWSSNAAQLFKU-UHFFFAOYSA-N 415.471 1.987 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CN2CCN(c3ccccn3)CC2)CC1 749530184 LXBAKRRFTHDGDY-UHFFFAOYSA-N 404.518 1.860 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N(C)CCN2CCCS2(=O)=O)ccc1OC 752967845 UVRPZMOPUXPFOX-INIZCTEOSA-N 424.523 1.553 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)cc1 757061569 WOVNEQGBEJKHJU-IAGOWNOFSA-N 404.474 1.747 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cncs2)c1=O 758082095 BACGDMJSJDRPSF-UHFFFAOYSA-N 407.476 1.394 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2nc(Cl)sc2c1 760852791 GAQLZGOBVBBAEX-SNVBAGLBSA-N 404.922 1.761 30 10 HDEE Cn1cc(S(=O)(=O)NN=C2CCCC[C@@H](c3ccccc3)C2)c(=O)n(C)c1=O 765584471 OIQAUSSPRZVFJT-OAHLLOKOSA-N 404.492 1.466 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2COc3ccccc3O2)cc1 765660359 YOJGNODDRQGECD-MRXNPFEDSA-N 400.456 1.558 30 10 HDEE C=CCNc1ncc(C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)s1 770999262 QTHSPYCCRXQXFL-UHFFFAOYSA-N 423.539 1.892 30 10 HDEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774033672 CYIMHOVQXHVXSI-JENIJYKNSA-N 419.547 1.950 30 10 HDEE C#CCN(C(=O)NCc1cc(OC)c(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774189095 YCKSVPCBDFZRJK-OAHLLOKOSA-N 410.492 1.434 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC)[C@@H]1CCS(=O)(=O)C1 774248885 BOKSXMDIAUZOJR-SJORKVTESA-N 406.504 1.759 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H](C)C(=O)C(=O)OC 778299994 XFLORSMHIJCKDR-VIFPVBQESA-N 414.208 1.772 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NCc1ccc2c(c1)OCO2 780178358 YJZPGRJUUHOHRV-HXUWFJFHSA-N 404.419 1.836 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(C(C)(C)C)nc2Br)CC1 780678215 LHAADPKZECNXQN-UHFFFAOYSA-N 412.332 1.461 30 10 HDEE C[C@H](OC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)N(C)CCC#N 782406535 XXASGEDVJNLVMB-VIFPVBQESA-N 410.224 1.697 30 10 HDEE COc1ccc(C2CCC(=NNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)cc1 783856767 JZLFDSGYIOFUAB-UHFFFAOYSA-N 420.491 1.085 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(F)c2)N(CCCn2ccnn2)C1=O 784129032 RTQDQEQKAKRPHE-HNNXBMFYSA-N 404.471 1.884 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)Cn2ncc3ccccc3c2=O)n1 789144065 LNGZLZIJOWICJX-QGZVFWFLSA-N 422.489 1.473 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]nc2-c2ccc3c(c2)OCO3)n1 790104151 LEBJDEXLYLXULF-UHFFFAOYSA-N 407.430 1.924 30 10 HDEE Cn1ncc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1I 814843087 KRKWVGBOQSUTNI-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE CCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1OC 916196723 GDHJYVJGQCHHCA-MRXNPFEDSA-N 411.483 1.523 30 10 HDEE Cn1ccn2c(CNC(=O)c3cccc(COc4cccc(C#N)c4)c3)nnc2c1=O 1133045230 RXHFJFATRQFDKS-UHFFFAOYSA-N 414.425 1.809 30 10 HDEE COc1cc(C)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134276046 QTJWWICNDNRMSA-ZBEGNZNMSA-N 413.293 1.777 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cncc2nc(C(F)(F)F)[nH]c12 1137537661 SQGKOZKPOHUZPX-JTQLQIEISA-N 416.367 1.989 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1146197195 RLFXFGWCFLNEIU-SFHVURJKSA-N 422.570 1.322 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1148406469 RNCBAOLMSFCHFC-INIZCTEOSA-N 403.504 1.271 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(=O)(=O)NC)C1 1150390898 XFOSQFRDSSAPRN-CABCVRRESA-N 401.529 1.081 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)ccc1F 1152176758 UMNJNCIOGHGBIG-OAHLLOKOSA-N 408.451 1.329 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([C@]2(C)COC(=O)N2)CC1 1155591971 QXHATKQBEUIIGC-NRFANRHFSA-N 410.478 1.888 30 10 HDEE C#CCNC(=O)C1CCN(C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1169698919 UHWMMJIVEWFMOA-MRXNPFEDSA-N 405.495 1.000 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2cc(F)ccc2Br)CC1 1189613614 RYROJRYWRZFBPC-UHFFFAOYSA-N 417.300 1.879 30 10 HDEE O=C(c1cccc(F)c1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1190965042 BOJGKSRQIJOASQ-UHFFFAOYSA-N 405.429 1.883 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 1191212211 WMZCEWUHQGASBF-SSDOTTSWSA-N 421.656 1.972 30 10 HDEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1195294887 BHLWVTSHMBVRTI-VQIMIIECSA-N 410.561 1.611 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)n1 1255002673 MYJICQSBUBFQBD-ZNXRZULTSA-N 408.524 1.030 30 10 HDEE C[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1 1256047129 AMLBYHYNILIEAB-GDBMZVCRSA-N 408.549 1.858 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@@H](CC)C1 1286356367 OSMFJPQUHXAQTQ-SFHVURJKSA-N 402.543 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccccn2)CC1 1286490520 XDABHXBNJDYITP-UHFFFAOYSA-N 415.501 1.944 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286522602 MBZBBKVTNOQWKJ-HSZRJFAPSA-N 422.533 1.732 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1286602242 WKDTZJKWFHRQMA-UHFFFAOYSA-N 404.515 1.116 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C 1286781653 WOILCHOLXRVGBE-AWEZNQCLSA-N 413.482 1.231 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(C)C)C1 1286784153 XNNLLHDGRQXBQW-KRWDZBQOSA-N 421.509 1.705 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN2CCOC[C@@H]2C1 1286784317 DMZGDKUUJRKFTE-HNNXBMFYSA-N 416.913 1.422 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](CC)C1 1286785622 HHQBMOHZFGKILT-CYBMUJFWSA-N 418.523 1.640 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1286787250 DIYFLGBNUUCOBW-AEFFLSMTSA-N 413.526 1.277 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1286835992 DPWDVYOLDIBNMN-OVWQWFNUSA-N 421.567 1.636 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1288524748 GNDSSXKEDXMJSD-OAGGEKHMSA-N 423.539 1.462 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1289742348 QHDJUPAWMXNQKE-LRAJWGHMSA-N 424.494 1.753 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1291702359 DHQPDLFZGGBDIQ-GJZGRUSLSA-N 416.544 1.504 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccncc1)C[C@H]1CCCO1)c1cc[nH]n1 1292943028 YZGYFKISWKLCFJ-MRXNPFEDSA-N 415.450 1.296 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)[C@H]2CC[C@@H](Cn3cnc4c(N)ncnc43)O2)cc1 1298717627 UUJOGKVFXMAXPB-YESZJQIVSA-N 405.462 1.900 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1300284689 VJEAWSKEWKBFEL-GOEBONIOSA-N 423.514 1.638 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCS(C)(=O)=O 1300516054 IIKDIDHZTZQGDE-UHFFFAOYSA-N 401.448 1.361 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CC(=O)NCC=C)CC1 1300701324 OQZBWPLQYIGKHT-UHFFFAOYSA-N 412.925 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H](C2CC2)N(C)C)CC1 1300726382 OCJVBLCXVMRYRI-IBGZPJMESA-N 400.571 1.783 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](OC)C(C)C)CC1 1300726885 SOFPHLIOODMWTF-OALUTQOASA-N 417.554 1.809 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1301220171 XLXJGUXBEGVFME-LBPRGKRZSA-N 404.410 1.359 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)NC(C)C)C1 1301553665 QLQCWDVOGZOLFZ-INIZCTEOSA-N 420.539 1.449 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCOCC3)CC2)cc1 1301645700 NMJNDERHEXIWMC-UHFFFAOYSA-N 405.520 1.701 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccsc1 1301809698 PABDCLDZNMALLM-INIZCTEOSA-N 423.564 1.851 30 10 HDEE COCCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)cc1 1302131764 UYCNTJXHRBAAIQ-MAUKXSAKSA-N 412.494 1.899 30 10 HDEE CC1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1305082495 IDAARFIINJEVTQ-HTXNQAPBSA-N 410.482 1.441 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)c1 1306894509 MJKYCVYXNVAPFK-TZMCWYRMSA-N 405.398 1.453 30 10 HDEE COC(=O)[C@H](c1cccc(C(F)(F)F)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1308127879 IOLRKGODRMTYFW-OFQRWUPVSA-N 402.394 1.790 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(Cl)ccc(C)c3n2)CC1 1310503263 UHEQTRUJFLHHDU-UHFFFAOYSA-N 421.910 1.814 30 10 HDEE C#C[C@@H](NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C1CCOCC1 1312589383 PSLTXJHKWKWAII-MRXNPFEDSA-N 413.927 1.736 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1313097084 JPCLUYICMNVJOQ-KRWDZBQOSA-N 403.479 1.600 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1315815721 NVRIMJIULFWSNT-MSOLQXFVSA-N 416.457 1.143 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1316026728 GKVWKJCMYOCNNF-IBGZPJMESA-N 414.510 1.651 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)NC(=O)NC1=O 1318125607 HBAIYBKOKQXHGN-SFHVURJKSA-N 418.862 1.745 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C1 1320160771 QOJWVCABQCJYID-HNNXBMFYSA-N 400.522 1.437 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)CC2=O)cc1 1328526303 PLXAYSGIJJYUBQ-YSIASYRMSA-N 417.469 1.288 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ccc(C#N)cn2)C1=O 1344788525 UURUFQXRCPLWCF-OAQYLSRUSA-N 408.414 1.781 30 10 HDEE Cc1nnc(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)c(C(N)=O)c1C 1345401558 WRSGJQWGESUWIE-UHFFFAOYSA-N 422.464 1.584 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)cc1Cl 1352864552 IOVDHVVNADXROO-CYBMUJFWSA-N 400.822 1.704 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1cccc(O)c1 1358884723 VPISSBAFUTZKIM-OAHLLOKOSA-N 407.478 1.662 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1358964938 KHEGNBVZIVLZDG-XLIONFOSSA-N 417.535 1.052 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1359055807 PUTRQWNLLHZYSU-HOTGVXAUSA-N 403.552 1.727 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CCOC)[C@H](C)C1 1359105204 LFYHPTXNWCPWAS-GGPKGHCWSA-N 407.559 1.953 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359122081 WVVDJWHBRGZJHU-MRXNPFEDSA-N 411.510 1.569 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1)C1CC1 1359251532 NSGRBRFVEUBPMT-CYBMUJFWSA-N 408.553 1.738 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCNS(=O)(=O)CC)C1 1359317313 GNKFCEGHFDDRSA-OAHLLOKOSA-N 406.512 1.061 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1360474766 VKFIZUSJZNNMJW-LSDHHAIUSA-N 416.482 1.940 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1436326531 WQKISIKKXUNUFU-CVEARBPZSA-N 410.492 1.180 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@]1(c2cnn(C)c2)CCCO1 1439905540 RMQXKEMQQYUVRD-NRFANRHFSA-N 407.478 1.706 30 10 HDEE COCC(=O)NC1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1441469146 RQQFHLADWMXKTG-MRXNPFEDSA-N 410.515 1.717 30 10 HDEE C=C(CO)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1448971773 SPJVOULBJIPWAV-ZDUSSCGKSA-N 403.298 1.267 30 10 HDEE Cc1noc([C@H]2CCCN2C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1449219750 LGQLYHACNRLIRE-HZPDHXFCSA-N 408.418 1.818 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1C 1452948467 UZUPLDGMZPAPOU-LJQANCHMSA-N 401.488 1.645 30 10 HDEE C#CCN(C(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)C1CSC1 1453164239 REYZAOIIAKYAOO-UHFFFAOYSA-N 408.545 1.867 30 10 HDEE C#CCN(C(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1CSC1 1453165622 UIEUFQFMVKBSMX-UHFFFAOYSA-N 422.450 1.831 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(C)C)c1cc[nH]n1 1454028737 KYENUPNBROHDME-HKUYNNGSSA-N 402.451 1.568 30 10 HDEE COC(=O)[C@H]1Cc2c(C)cccc2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1462079893 CXYWBMNTOQPUGR-MRXNPFEDSA-N 413.455 1.164 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1466220582 ZQXVVOCZNONNLF-UHFFFAOYSA-N 409.508 1.434 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@]3(CC(=O)c4ccccc4O3)C2)cc1 1468956507 UEHQTTPWCDJRFA-JOCHJYFZSA-N 424.478 1.848 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1470101525 CMJNJKQVDHNMAU-AEFFLSMTSA-N 403.479 1.532 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(C(F)(F)F)nc1 1471239358 MJYWFMWDYUAHEM-IFUGULHKSA-N 402.398 1.741 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C(C)(C)C1(C)C 1472192212 VCGCMRBIADOEHR-ORAYPTAESA-N 410.536 1.777 30 10 HDEE COc1ccc(Br)cc1[C@H]1NC(=O)N(CC(=O)NC2(C#N)CCC2)C1=O 1472994218 GIAJURBDHKVTIS-CQSZACIVSA-N 421.251 1.613 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1503292054 OLIKGLQLKDEOIY-LDLUVENISA-N 417.535 1.827 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1OC 1505114230 JNHISBOMCSCLLG-FVJLSDCUSA-N 410.478 1.145 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2[nH]c(C)cc2c1 1507601676 TYMMDGJQRDFZCT-AWEZNQCLSA-N 400.508 1.796 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507621517 BHPJCNKNLIAMKW-KRWDZBQOSA-N 407.584 1.688 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(NC(=O)OC)c1 1507639446 YFSLXPXSXVVBGG-UHFFFAOYSA-N 420.473 1.814 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nnc(C)s1 1507642598 XGIUKXRLLBYCOJ-LJQANCHMSA-N 400.508 1.600 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(F)CCC2)CC1 1507716939 WRPWPAGPSXJYPD-UHFFFAOYSA-N 411.485 1.963 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507864444 BGONVGNIELFAGU-INIZCTEOSA-N 424.933 1.499 30 10 HDEE C=C(Cl)Cn1c(N2CCN(CCOC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1507874245 QTZHZUUREVSSTJ-LJQANCHMSA-N 413.950 1.840 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)CC1 1507901628 CNKOZTZFMVJCRP-MRXNPFEDSA-N 423.583 1.745 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@@H](OC)C1 1508095585 YGRUBPZURMBMIY-OAHLLOKOSA-N 403.458 1.914 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncn(C)n2)cc1 1518328937 BVJQIRPQRDONSZ-LJQANCHMSA-N 412.429 1.484 30 10 HDEE CN(CC(=O)Oc1cccc(OCC#N)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1525227458 IKHSNLIZLSEFAA-UHFFFAOYSA-N 405.388 1.723 30 10 HDEE CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc(C#N)ccn1 1529300195 FUAVHBXESKNURX-INIZCTEOSA-N 415.431 1.678 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2ccccc2Br)C1 1529753385 LYEWDJBEDZDMKZ-SMDDNHRTSA-N 400.298 1.802 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C 1531579168 DPMHAXVKRDGPJB-UHFFFAOYSA-N 423.535 1.617 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C)c(C#N)c3)C2=O)cc1 1534456559 QSKRHNAKFZADTO-QFIPXVFZSA-N 406.442 1.959 30 10 HDEE CO[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1Br 1536179101 CDSPYYAUHRTDFV-PJODQICGSA-N 413.293 1.533 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC)CC1CC1 1539124371 FKPFEFLEVLUNJP-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)CN2CCCC2)CC1 1539447495 SSPRJNSKAMIPAH-LJQANCHMSA-N 400.571 1.659 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539977031 IINCRQUDDPLJJK-ZWKOTPCHSA-N 402.543 1.637 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539990422 JOLNQJKIYMWCMQ-KRWDZBQOSA-N 413.478 1.981 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1540047848 NJFQXOFQWCZUCC-ZDUSSCGKSA-N 416.548 1.425 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1540089022 XFXKTNJEEXXSKJ-SFHVURJKSA-N 410.471 1.168 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCOCC2)C1 1540889145 FZGKZRHMTFJNEO-SFHVURJKSA-N 415.542 1.571 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C)C1 1540899917 FDNMVULUDLRYAS-CQSZACIVSA-N 420.491 1.500 30 10 HDEE Cc1c(Cl)cccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1542124173 GCPXQKCUZFXGGR-HOCLYGCPSA-N 400.870 1.968 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCCS(=O)(=O)CC3)C2)C1 1543124188 LZSLFDAEWFZGAR-HVEKOLDVSA-N 411.524 1.420 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1545104487 RJUPUUOBQBNFRU-YLJYHZDGSA-N 410.522 1.889 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)cc1 1556647000 SFPJMXFFQRKNMN-HNNXBMFYSA-N 415.462 1.527 30 10 HDEE C#CC1(O)CCN(C(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 1557602517 HGZJTUVDWHTBMY-UHFFFAOYSA-N 402.495 1.675 30 10 HDEE Cc1sc(=O)n(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1-c1ccccc1 1558806525 RZSAUJQJDXCVBC-UHFFFAOYSA-N 423.454 1.103 30 10 HDEE COCCN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)Cc1ccc(C#N)cc1 1559522984 CPVHAOWQTYMKTK-UHFFFAOYSA-N 414.428 1.486 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1563782153 ZBKRWSWGPNDYIR-ZWKOTPCHSA-N 405.520 1.841 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 1568692978 JFCFKKZXUQWCKV-IAGOWNOFSA-N 419.323 1.424 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[S@](=O)C(C)(C)CC2)ccc1F 1569101488 YTNXSVNPPYEBGE-VWLOTQADSA-N 402.513 1.663 30 10 HDEE C=CC1(CC(=O)N[C@@H](c2cnn(C)c2)c2ncon2)CN(C(=O)OC(C)(C)C)C1 1569725157 PCKINYJQFIJZFY-HNNXBMFYSA-N 402.455 1.822 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)c2csc(C(C)C)n2)cc1S(=O)(=O)NCC#N 1570889563 ASBJIXMNRFYOEG-CQSZACIVSA-N 422.532 1.840 30 10 HDEE C=CCOCCNC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1586935601 INQSMHYKBCCSHR-HXUWFJFHSA-N 414.499 1.653 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1587568388 PSVOABHHRBGJSZ-GCJKJVERSA-N 417.554 1.641 30 10 HDEE C#CC[C@@]1(C(=O)NCc2nc(O)c3c(n2)CCOC3)CCCN1C(=O)OC(C)(C)C 1588033468 YDMBICPLAFFQOZ-NRFANRHFSA-N 416.478 1.664 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588054939 QFXHKPZXJRUFSI-ZACQAIPSSA-N 410.540 1.429 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1595602289 IXECDQXHBXFTBF-KHYOSLBOSA-N 409.556 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC#N)CC1 1595784391 FFCXQMAWDLFLCF-UHFFFAOYSA-N 403.512 1.409 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCN(CC)[C@@H](C)C1 1595811887 FTVRVLFBJMZTEE-KRWDZBQOSA-N 418.567 1.395 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCCO1 1611803826 FIMYRZQNQIYQOK-QFBILLFUSA-N 407.540 1.879 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]2(c3cnn(C)c3)CCCO2)ccc1F 1616658820 RJAMUTNSGSWQID-IBGZPJMESA-N 422.482 1.459 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCOC1 1616909141 CJIQZKQFRKFYCJ-GOSISDBHSA-N 411.510 1.834 30 10 HDEE Cn1nc2c(c1C(=O)N[C@H](C#N)c1ccccc1Br)CS(=O)(=O)CC2 1618518593 BGWSPSDVHNALFD-CQSZACIVSA-N 423.292 1.648 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O 1618726992 DQSQYEWAQDYTJL-HUUCEWRRSA-N 403.483 1.338 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@H](Oc3cncc(Br)c3)C2)CC1 1618932606 XJEIEYKYAUTVAH-INIZCTEOSA-N 407.312 1.075 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1620160441 FQSSZJGVCVTWLS-HNNXBMFYSA-N 408.528 1.184 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1620160442 FQSSZJGVCVTWLS-OAHLLOKOSA-N 408.528 1.184 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCCS1(=O)=O 1620358867 HTEBABUIIOMXES-HZPDHXFCSA-N 420.539 1.327 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2nn(C)cc2Br)cc1 1624485101 QXODTUKGFKCJEX-UHFFFAOYSA-N 411.281 1.024 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ncnc(O)c2Br)C1 1624819295 IEJVCWNUCNKPED-IUCAKERBSA-N 412.244 1.434 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1626245763 ANTWGRUYMWDWCN-WBVHZDCISA-N 424.542 1.287 30 10 HDEE C=CCC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CCOCC1 1628811413 MZZBDRMRAWBVQM-MRXNPFEDSA-N 410.540 1.669 30 10 HDEE CC[C@@H](C)NC(=O)[C@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1629001578 GWFIOKUFRRFORH-IAQYHMDHSA-N 413.496 1.553 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)c1 1630655419 IAYMCOJENWYHOG-MRXNPFEDSA-N 417.462 1.569 30 10 HDEE C#CCN1CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1631503267 CLHXEIYKJGISBB-INIZCTEOSA-N 402.499 1.241 30 10 HDEE Cc1ccc(Cn2cccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)c2=O)cc1 1631949622 BCFNDNFVVWBPDA-UHFFFAOYSA-N 405.414 1.368 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)CC1 1635181524 GTRXGSZHEQDPLM-JOCHJYFZSA-N 424.501 1.971 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](Nc4ncccn4)C3)C2=O)cc1 1639942567 IFEJWMHPXKHWRD-RDJZCZTQSA-N 419.445 1.266 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)c1 1640109139 VEIHYNIXJWOMBS-DLBZAZTESA-N 410.467 1.563 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NCCc2c(F)cccc2F)c1=O 1643944271 HZCVOWQNJHOSAO-UHFFFAOYSA-N 416.428 1.189 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)Cc1cnc[nH]1 1644048923 AJBSTHPSZGAKOQ-ZDUSSCGKSA-N 423.267 1.541 30 10 HDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@@H]1O 1644311112 GPPLCSBHSBOFAR-IBGZPJMESA-N 412.490 1.960 30 10 HDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 1644608931 DBAWGPBYTBUWTE-WOJBJXKFSA-N 415.534 1.978 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccc3nsnc23)cc1 1645284798 BYDOIPOKICRKDS-UHFFFAOYSA-N 401.473 1.813 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)C3(c4ccc(C#N)cc4)CCCC3)CC2)CCOC1 1645846900 ATHWQZSVUFBJKW-HSZRJFAPSA-N 411.502 1.846 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)cc(Br)c3)C2)c(=O)nc1O 1648790697 QZRXJPCZBXMCIU-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE C=CC1(CC(=O)N(C)Cc2nnc3n2CCN(C)C3=O)CN(C(=O)OC(C)(C)C)C1 1651890272 NIOZWZSPSYLRJU-UHFFFAOYSA-N 418.498 1.135 30 10 HDEE Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1C 1652332090 OZKHOGLEMGKEJU-INIZCTEOSA-N 413.503 1.934 30 10 HDEE COc1ccc2c(c1)C[C@@H](CN1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)O2 1652862368 XCJZCZJYKOOYSQ-IBGZPJMESA-N 413.499 1.877 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CCOc3ccccc32)nc1I 1656672624 VITYOUDEPPOHPW-GFCCVEGCSA-N 408.199 1.999 30 10 HDEE C=CCOc1c(Cl)cc(CNCc2nc(CS(C)(=O)=O)n[nH]2)cc1OC 1658066407 ZPZVVICMFLMNAH-UHFFFAOYSA-N 400.888 1.866 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)nn1 1659429601 FFVLLHDLJNDSBJ-UHFFFAOYSA-N 401.452 1.375 30 10 HDEE CC(C)(CNS(=O)(=O)c1ccc(Br)c(C#N)c1)N1CCOCC1 1660973388 CESSFMXPPOKQJY-UHFFFAOYSA-N 402.314 1.710 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC[C@H]21 1671495273 PGQWSGOZROFBRP-XFIYOXNOSA-N 406.483 1.586 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccccc2OCCN2CCOCC2)nn1 1677826421 TWZCWKGIVKBHIA-UHFFFAOYSA-N 400.483 1.175 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1680700564 QXODXMLDPSQUHP-SUMWQHHRSA-N 421.498 1.987 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@@H]23)C1 1681228445 ZCKNBHWGEZFKQK-JJXSEGSLSA-N 409.556 1.624 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CCN1Cc1ccccc1 1685645691 WOWVRTZMGWXFRW-ZWKOTPCHSA-N 407.478 1.180 30 10 HDEE C=CCONC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1686485105 WRQDGQSVKZJOPH-LBPRGKRZSA-N 401.204 1.591 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)NCC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1686827514 CCWILLXIXGLMDB-AWEZNQCLSA-N 406.483 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCCO 1689846988 PRYXPKDYZWZLEW-HNNXBMFYSA-N 420.539 1.095 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1noc(CC)n1 1689999445 BATAXOIELKSIMJ-UHFFFAOYSA-N 404.434 1.186 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCO[C@@H]1CCOC1 1690009748 IJGQHCNGCKVLIQ-LJQANCHMSA-N 422.485 1.985 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](C)N(C)C)CC1 1690141709 ANNOTYSJDAFTQE-QGZVFWFLSA-N 424.549 1.870 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(CCS(C)(=O)=O)C1CC1 1690172274 BCDAXNDJSIUFHR-HNNXBMFYSA-N 412.581 1.552 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1690726619 GTXRULGVEWIEAS-JSGCOSHPSA-N 422.473 1.987 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@@](C)=O)CC2)CCOC1 1690995107 CVAZUXOAVBUOGQ-CIEINVKXSA-N 409.556 1.826 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1691504026 SMXWHGDNTMKTIH-OAHLLOKOSA-N 400.483 1.893 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCOCC1 1696605002 BYDHCWGUQWAEEH-KRWDZBQOSA-N 415.542 1.470 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705567716 ZUBOVSOIHQVYAM-NVXWUHKLSA-N 403.508 1.325 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(C)(=O)=O 1705586005 RNHUPLMRDRKZMB-UHFFFAOYSA-N 400.504 1.591 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCOC[C@@H]2C)CC1 1705642154 IYGAMCJJQYXKEX-PXNSSMCTSA-N 411.554 1.568 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccc(Cl)cc2C1 1705901751 VPXQOJITVBHHQW-INIZCTEOSA-N 414.897 1.748 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N(C)C)CCOCC2)C1 1705914128 HHAMEMNXXJBRIP-QGZVFWFLSA-N 420.558 1.308 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnn(CCOC)c2)C1 1705925872 VLLIAMRUSVIQMI-ZWKOTPCHSA-N 402.499 1.455 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1710195487 AVNBBWVJSKZEFN-CQSZACIVSA-N 407.482 1.295 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1712885255 FINKWYGEQRLCBM-HOTGVXAUSA-N 420.539 1.184 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H](C)N1CCN(CC)CC1 1722349557 RSWVVOAWQYQENW-SFHVURJKSA-N 424.549 1.812 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722616809 CWBPXZGQYDSFGG-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](COC)C1 1722703202 XCWLYBFLXVFHAF-GOSISDBHSA-N 415.494 1.319 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1726729143 OUARHYIQMUHUHQ-QPQFLAEFSA-N 416.482 1.270 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@H]1CCOC1 1729350706 DOPICEBVCNHSQR-RDJZCZTQSA-N 401.492 1.477 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1)[C@@H]1CCOC1 1729369831 PSKIXZGJTVMMGS-UZLBHIALSA-N 415.519 1.822 30 10 HDEE Cn1cc(Nc2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1729579968 SERUHJHZVAJHTA-ZPHPHTNESA-N 404.434 1.949 30 10 HDEE COCCCN(C)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1730690519 FSLXTPCJCNJVSL-IBGZPJMESA-N 416.501 1.705 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740673603 ZYIYFVBUDLZQJT-LJQANCHMSA-N 415.563 1.804 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1740716500 SOEBLBWSKZDYHU-MRXNPFEDSA-N 418.567 1.290 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1747607825 QNLAXIFBUOCJHS-INIZCTEOSA-N 410.544 1.194 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1748808195 AWFVVAKHNUJBCE-AWEZNQCLSA-N 404.467 1.236 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748811112 BUNGDKOJZUKGEQ-NVXWUHKLSA-N 417.535 1.715 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812140 QTTQHZNCLBDPMG-DLBZAZTESA-N 418.567 1.630 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@@]1(OCC)CCOC1 1749209472 ZADZYPWCGLRCNK-WIYYLYMNSA-N 405.543 1.665 30 10 HDEE COCc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1749434842 HYDAWRLTSACFSE-GOSISDBHSA-N 410.478 1.438 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1749487705 GWWCQGGNUDTSCM-HRAATJIYSA-N 413.526 1.614 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1749563503 JLDIUOXTMLIGMP-UHFFFAOYSA-N 412.450 1.891 30 10 HDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1750550077 FCKSMJQHLBYRIE-SFHVURJKSA-N 423.521 1.646 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1751262474 FOCJUUVOUFPJNC-KGLIPLIRSA-N 424.502 1.845 30 10 HDEE C#CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1760152808 ZVXJQMZZVHPILX-INIZCTEOSA-N 417.473 1.817 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1760233297 UKZAEPBAKYIYSV-QRQCRPRQSA-N 422.489 1.191 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1760248078 ZYPKASRRDAIMSI-HNNXBMFYSA-N 423.443 1.705 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1760256526 HQCCSWRJWRYYKC-JQVVWYNYSA-N 417.554 1.237 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(C)c(OC)c2)CC1 1760259948 ISYPOFZRMYHXCX-UHFFFAOYSA-N 419.533 1.994 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1760263353 YEDFZYQVHSZYCH-RTBURBONSA-N 400.571 1.485 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccnc2C)CC1 1760402828 WAKBUYQAPGZXKW-QGZVFWFLSA-N 416.551 1.924 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760554959 RWEIUBQMHONSIW-KRWDZBQOSA-N 421.571 1.566 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCSC2)CCOC1 1761290510 ARJGSAQTDDVGLK-TXPKVOOTSA-N 407.540 1.801 30 10 HDEE Cc1ccccc1-c1nnc(N2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762078258 UPWZERHOZDINFS-ZZEZOPTASA-N 408.462 1.617 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)cs1 1762296513 LNMDCELGLXTLKJ-GUYCJALGSA-N 401.540 1.845 30 10 HDEE CCCc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)o1 1765614056 GUGRAPMVIIYZGL-JSGCOSHPSA-N 423.543 1.781 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1769277204 XKJFLDUMRXOFPP-SJORKVTESA-N 413.457 1.357 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1770201708 BYIOCEIVIPOYLP-NHAYFPRASA-N 422.505 1.165 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC(F)(F)CO2)C1 1770728560 QENQWPGXWYDPAW-SLEUVZQESA-N 419.429 1.046 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)CC1 1771535169 DDPYAQVCNNRMBL-KRWDZBQOSA-N 413.526 1.762 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(C)(=O)=O)[C@H](C)C3)n[nH]2)c1C 1849150836 GFMZQOJCOBEWSY-CYBMUJFWSA-N 420.539 1.572 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC(COc2ncccc2C#N)CC1 1849581618 AVKZMXAFTQNLKY-QGZVFWFLSA-N 406.508 1.385 30 10 HDEE C[C@@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)n1nc(-c2ccccc2)ccc1=O 1849829121 PSZYVILTUBINSQ-HNNXBMFYSA-N 415.457 1.480 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NCC#CCN2CCOCC2)c1 1850241707 COHOAMAHFBRBLI-HXUWFJFHSA-N 421.563 1.140 30 10 HDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1851386373 JGZIEQATDJFBKM-UHFFFAOYSA-N 417.462 1.861 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3c(Br)cnc4[nH]cnc34)CC2)n1 1851790295 RCPSBGWANYHCTD-UHFFFAOYSA-N 413.239 1.344 30 10 HDEE N#Cc1cn(CCOc2cc3c(cc2Br)CCC(=O)N3)c(=O)nc1O 1852124626 CWKQJZMVYBXUCB-UHFFFAOYSA-N 405.208 1.547 30 10 HDEE CN1CCN(C)c2cc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)ccc21 1852235307 RNVICWIAVQWNEV-UHFFFAOYSA-N 420.517 1.818 30 10 HDEE N#CCCN1CCN(C(=O)c2cn3cc(I)ccc3n2)CC1 1853356893 UOFSECRQPCRWRH-UHFFFAOYSA-N 409.231 1.610 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1C#N 1853820044 RAIWRSFSELNXRV-IBGZPJMESA-N 404.474 1.610 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2noc3ccccc23)C1=O 1853827785 FRGVIMHWKSGXNL-QZTJIDSGSA-N 410.474 1.607 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854555213 QYDVXLDLVBBEJZ-DOTOQJQBSA-N 411.458 1.570 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCCc4nccc(OC)c43)CC2=O)CC1=O 1855686540 SIQPNGVAQRDUQJ-CVEARBPZSA-N 412.490 1.252 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN([C@H]3CCN(CC(F)(F)F)C3=O)CC2)CC1=O 1855742173 HMQDPXGWNJYZCO-KGLIPLIRSA-N 400.401 1.150 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CCN1CCC#N 1855930130 NHDARRXOAAYCON-CQSZACIVSA-N 412.446 1.131 30 10 HDEE Cn1nc2ccccc2c1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856322034 JFAVNGWGVAEWLW-UHFFFAOYSA-N 403.442 1.808 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1856456594 IMNLEPDICNBAIL-DOTOQJQBSA-N 411.849 1.896 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(c4ccnc(F)c4)CC3)CC2=O)ccn1 1856586496 GHFGVWVKYIEZDJ-OAHLLOKOSA-N 408.437 1.298 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)CCC1=O 1856885077 FEPOUBIZEASZJM-HNNXBMFYSA-N 421.494 1.743 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H]4CN(C)C[C@@H]43)ccc21 1857045897 IERGUQWSHWMBAW-KDOFPFPSSA-N 403.504 1.393 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc3c(c2)OCO3)C1)[C@H]1CCN(C)C1=O 1857055625 GTLGBEITZOZQPF-WBVHZDCISA-N 413.474 1.513 30 10 HDEE CC1(C)C(=O)N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1CCCC#N 1857092414 ZAURGLPRYFBGHL-UHFFFAOYSA-N 411.911 1.867 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2Cl)cc1 1859013732 LEAJBFVEPSWHCA-UHFFFAOYSA-N 421.862 1.756 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)NC(=O)CCS(=O)(=O)c1ccc(OC)c(OC)c1 1868739010 QCJXGABGBDLHOS-OAHLLOKOSA-N 424.519 1.573 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1ccco1 1874436019 IAFGFZHUAKQYMC-SSDVNMTOSA-N 412.475 1.798 30 10 HDEE C=CCN(CCC(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885966407 BUFBNFKRGIXQEA-AWEZNQCLSA-N 401.504 1.801 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2[C@H]3CC[C@H]2CC(n2cc(COC)nn2)C3)cs1 1890705579 DVFLBJWUMRIMGL-KBPBESRZSA-N 416.507 1.805 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC(CN4C(=O)CCC4=O)C3)n[nH]2)c1C 1891131579 CZRYHRYXUGPANO-UHFFFAOYSA-N 410.478 1.687 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)cc1 1892018178 GHKKSFFAAHLNNW-OAHLLOKOSA-N 415.475 1.005 30 10 HDEE C=C(Br)CN(C)C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 2010356589 TYRAENYADJCORH-LBPRGKRZSA-N 404.305 1.821 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2050656157 SCIBRGYPRKPUHQ-BFUOFWGJSA-N 407.467 1.965 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@H](O)C1 2126234432 HUYVDKUNLCGKRT-UONOGXRCSA-N 401.872 1.470 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1C[C@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2174781085 BQYDBLHALYMPEK-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1C(F)F 2174788084 ASWCHKBVIVGZLK-ZYHUDNBSSA-N 402.423 1.732 30 10 HDEE C#CCN(C(=O)CC(C)(C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2185447330 VLDQSNAYJCZITB-LSDHHAIUSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)CC2(C#N)CCCCC2)C1 2190121994 SKGSPTLLTRYNEN-GOSISDBHSA-N 401.529 1.752 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1ccc(C#N)c(F)c1)C(=O)O 2195346328 ZAHZCBWISNGLMM-CQSZACIVSA-N 400.428 1.980 30 10 HDEE C[C@@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2248053772 FHTXQRFPUWJVLE-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE C[C@@H](CC(N)=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355056 RVJTZRAUVZMKDT-QMMMGPOBSA-N 408.738 1.243 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282124383 IADVXTUTBRQCHK-SANMLTNESA-N 401.359 1.481 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC[C@H](F)C1 2282312798 BMUWMPBFWPEALN-NEPJUHHUSA-N 404.338 1.334 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCC[C@H]3CO)s2)OC1(C)C 2282340344 DSEVSXGTMFVIQC-STQMWFEESA-N 401.359 1.734 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@H](N)C(F)(F)C2)OC1(C)C 2282488368 APULVVZRNRLZBD-LBPRGKRZSA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2COC[C@@H]2F)OC1(C)C 2282503969 IGLTZUJTTMOPHI-QWHCGFSZSA-N 405.684 1.654 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)O 2282511858 PGPARUZVPLKZPJ-YVEFUNNKSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](S(N)(=O)=O)C3)sc2Cl)OC1(C)C 2282618440 MPFREHHOKLLQRN-VIFPVBQESA-N 420.749 1.204 30 10 HDEE Cc1ccnc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2282625250 SHOSFURJXVKHCF-OAHLLOKOSA-N 402.300 1.914 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282840549 HSCSCSRKLQUJLW-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@@H]1O 2282844842 JMWWJPFVZSGAFH-OLZOCXBDSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)OC1(C)C 2282859856 RMLUQQCORBFXRT-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@H]2C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284392842 CAHPJCDRTKIEJT-MNOVXSKESA-N 401.315 1.416 30 10 HDEE CC(C)(F)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406820 CXENBRQAUVDUHI-LLVKDONJSA-N 407.294 1.527 30 10 HDEE COC[C@@]1(C)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284677345 PGMMCXOJSJAVAV-MLGOLLRUSA-N 402.347 1.287 30 10 HDEE Nc1ccc(S(=O)(=O)NC2=NC(=CC(=O)c3ccc(Cl)cc3)C(=O)N2)cc1 2295990402 CMIHMFZQSPJDLA-UHFFFAOYSA-N 404.835 1.453 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCNC[C@H]1C(=O)C=Cc1ccco1)N1C(=O)c2ccccc2C1=O 2328155827 JJOSQJHQDCQUEB-NIKGAXFTSA-N 421.453 1.641 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccc1 2330749958 NQOXSKIMWIMGNG-UHFFFAOYSA-N 412.475 1.798 30 10 HDEE CC(C)(C#C[C@@]1(OCC(=O)O)CCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2339701384 UTEGZSPUQLZLEE-HXUWFJFHSA-N 423.487 1.696 30 10 HDEE CN[C@H](C#Cc1nc(C)cs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c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2370843239 QHJQCEOJEPZGHC-CHWSQXEVSA-N 401.359 1.827 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CC1 11652894 ZKFVDURCOBTFKJ-HXUWFJFHSA-N 414.487 1.758 30 10 HDEE C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N 100851401 NPNZPRGMHROMFR-UHFFFAOYSA-N 400.442 1.796 30 10 HDEE C#CCN(CC(=O)Nc1cc(OC)c(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 111045963 XIMOZWAQGORSTL-LBPRGKRZSA-N 400.884 1.418 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@@H]3CCCN(CCN)C3)C3CC3)nc2)OC1(C)C 204876172 XNIAJTYJXUEFFR-MRXNPFEDSA-N 401.364 1.415 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 238959905 YIOJAJQTQKWZLV-AWEZNQCLSA-N 417.447 1.759 30 10 HDEE C=CCN1C(=O)/C(=C/C(=O)OC)SC1=Nc1ncn(CC(C)=O)c1C(=O)OCC 254705218 SPNGEFKMFTYERJ-NHCDRTTLSA-N 420.447 1.455 30 10 HDEE CCOC(=O)CS(=O)(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 404941682 FGOVHUSJONEZQU-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE Cn1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431226820 XUTLEFHCVORBRR-UHFFFAOYSA-N 417.556 1.168 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 437646395 OPIIOKCLEJBRGB-KRWDZBQOSA-N 402.538 1.614 30 10 HDEE COc1cc(N2CCN(C(=O)CCCC(=O)Nc3ccccc3C#N)CC2)ncn1 461742822 NRJOSDWDNJYSQI-UHFFFAOYSA-N 408.462 1.814 30 10 HDEE COC(=O)[C@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(F)cc1 463439115 ZKOOXIVHSYDLSP-GHTZIAJQSA-N 404.486 1.496 30 10 HDEE CCS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)s1 472324024 ILRDFYZEMJNWFH-UHFFFAOYSA-N 419.532 1.840 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 481343156 ITHYRTTZBPPWEF-CQSZACIVSA-N 403.460 1.510 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483597481 ZJVQXFYUIANHMX-BPUTZDHNSA-N 423.491 1.947 30 10 HDEE CSC[C@@](C)(C#N)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 569504252 UKSOCUFMTFVAIL-CZUORRHYSA-N 400.526 1.454 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H]2CCC(=O)NC23CCC3)c(C#N)cn1CCOC 570699583 HKGHVTYXBCDJNG-AWEZNQCLSA-N 417.466 1.506 30 10 HDEE Cn1nc(-c2ccsc2)cc1NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 589502743 IAYJDDQDAVLOLC-UHFFFAOYSA-N 401.473 1.937 30 10 HDEE CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 609499036 LHTRBRGQOBAOKH-UHFFFAOYSA-N 415.475 1.310 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)cc1C 727415296 LJXQQQRPJJKMKD-UHFFFAOYSA-N 423.494 1.375 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1cccs1 727417319 IDWKTAQXAABUGC-CYBMUJFWSA-N 411.508 1.979 30 10 HDEE C#CCN(C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H]1CCS(=O)(=O)C1 729335030 GPGOCBNKUKWABX-AWEZNQCLSA-N 405.457 1.981 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669982 GROPGZNZDAPIDK-UHFFFAOYSA-N 423.542 1.633 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1C1CC1 732674851 TWRIOEHXJWAFDY-SFHVURJKSA-N 417.535 1.353 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)C[C@@H](C)O1 732706176 HTMBNTCUVJELFM-YRNRMSPPSA-N 411.506 1.437 30 10 HDEE COCc1c(Br)cccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706520 PEUINCBCHRXSKQ-CYBMUJFWSA-N 421.295 1.733 30 10 HDEE CCCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Cl 732707359 YVRDGHFMFLRILL-HNNXBMFYSA-N 417.897 1.617 30 10 HDEE COc1ccc(CNC(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)cc1C#N 746721239 KIYVAAGLUPSTTE-UHFFFAOYSA-N 422.489 1.663 30 10 HDEE N#C[C@H]1CN(C(=O)NCC(=O)N2CCC(Cc3ccccc3)CC2)CCN1C1CC1 746776505 VMDANPUBBDGOPZ-NRFANRHFSA-N 409.534 1.849 30 10 HDEE Cn1c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nnc1C1CCC1 764353895 LQUDCHNDMNYKMC-UHFFFAOYSA-N 416.507 1.218 30 10 HDEE COC(=O)c1cncc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 769005977 OZIPUNJITPXBMH-UHFFFAOYSA-N 402.432 1.326 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(C(C)C)c2)N(CCc2nnnn2C)C1=O 771546292 FRRDASMCCWYXNF-OAHLLOKOSA-N 415.523 1.644 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 774836857 SRJXQANKIHHFIS-ZDUSSCGKSA-N 417.535 1.603 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@@H]1CCCO1 775338075 ARCCUGVWHSWCEH-MJGOQNOKSA-N 405.520 1.448 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CCN1C1CC1 779089105 YJWCXWWWCWOQGN-OAHLLOKOSA-N 407.471 1.470 30 10 HDEE CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780207234 VOPMZZCYTAKEKN-LJQANCHMSA-N 401.463 1.240 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2CCCN(CCOC)C(=O)C2)ccc1OC 786761787 SIXZVFZKQYQJNB-KRWDZBQOSA-N 418.494 1.766 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1Cc1ccc(F)cc1F 790624898 FXQJHDWDNSIRDY-ZPHPHTNESA-N 416.388 1.169 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCC2CCN(C(=O)C(F)(F)F)CC2)c(F)c1 790849806 FLRGYJCZZRRIOB-UHFFFAOYSA-N 407.389 1.918 30 10 HDEE CCOC(=O)C1(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CCOCC1 797085785 CCALYPSKQIYYGL-UHFFFAOYSA-N 401.463 1.818 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC#N 812172843 OPYJZIDEEDVFKL-GJZGRUSLSA-N 408.503 1.971 30 10 HDEE CCn1c(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc2cccnc21 817179604 AGYDRBBSGIGWFA-LBPRGKRZSA-N 412.475 1.907 30 10 HDEE C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1130250534 YDSNOEPDRKTKNN-UKRRQHHQSA-N 421.519 1.836 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1133399997 CTGNEKYJXJQNIN-ZNMIVQPWSA-N 402.513 1.118 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1 1139869572 LVONICFDXBHKRD-UHFFFAOYSA-N 412.556 1.849 30 10 HDEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1141039014 YORQJLBQSOPZMT-OAQYLSRUSA-N 419.547 1.526 30 10 HDEE CC(C)(C(=O)NCCn1cc(C#N)c(O)nc1=O)[C@@H]1CCC[C@H](C(F)(F)F)N1 1148392770 HVTGELPSHIVBBF-NWDGAFQWSA-N 401.389 1.036 30 10 HDEE CN1C(=O)C[C@@H](NC(=O)c2ccccc2SCC(=O)Nc2cccc(C#N)c2)C1=O 1155657196 VZMLFGKARAGKLV-MRXNPFEDSA-N 422.466 1.776 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1)C(=O)OC 1161357624 SOAWMPRVNGWNOA-HNNXBMFYSA-N 408.476 1.211 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@H]3CCCCN3C(=O)c3ccc(O)nn3)CC2)nc1 1167477038 CJDOUSSJLHXOQD-LJQANCHMSA-N 420.473 1.850 30 10 HDEE C=C[C@H](CO)NC(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1167654896 WOMOEPWRGPYSIV-GHMZBOCLSA-N 401.414 1.674 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1167855728 XQIWBJJKFQQOTD-AWEZNQCLSA-N 413.471 1.396 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@H](C(N)=O)C1 1211600402 GTBUBTQKZWDOPS-PELKAZGASA-N 404.261 1.734 30 10 HDEE C[C@H]1CCCN(Cc2ccccc2CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1222665443 DACKAXRUZMQHEP-INIZCTEOSA-N 424.505 1.552 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1cccc(CN2CCC[C@H](C(N)=O)C2)c1 1227206693 HROZSBWLRMBCFD-VQTJNVASSA-N 400.523 1.612 30 10 HDEE CN1CCN(c2ccc(CNC(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc2)CC1 1246382820 RIYVSZNYJRTEGF-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)c(C#N)cn3)CC2)cc1 1264347913 KXKURPPBSZBGEE-UHFFFAOYSA-N 412.471 1.611 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCCC 1286456369 PXCCTYBWZHQJJJ-KRWDZBQOSA-N 412.469 1.534 30 10 HDEE C=C1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1286648454 JOPQQLXOWHPVRH-UHFFFAOYSA-N 419.551 1.778 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1286688828 ZHAPPIDLVWUPSG-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286793676 JFFNUIKFQWRMDU-JKSUJKDBSA-N 402.499 1.023 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1287598894 VGYIYHBAAPVAOK-MRXNPFEDSA-N 401.515 1.559 30 10 HDEE O=C1CSC[C@@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1289423868 AOBNAFNBAGEGEO-XVMARJQXSA-N 412.302 1.847 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1290985304 GGKHDBSWBVLFIY-INIZCTEOSA-N 424.505 1.701 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN(C)CCCOC 1293097828 ZDYKXVIOJQCIRE-UHFFFAOYSA-N 412.542 1.402 30 10 HDEE CCOCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1297517133 OKIWGOZQVOFZCA-HTXNQAPBSA-N 413.482 1.283 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1297654187 HMDFEOHTSJTBNS-ZDUSSCGKSA-N 411.480 1.546 30 10 HDEE CC[S@@](=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297817464 ZKOWFDSARGYANS-MUUNZHRXSA-N 400.508 1.534 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1298135334 YLPJHNKIJVEGOY-YJBOKZPZSA-N 415.519 1.867 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)cc1OC 1300076675 IFRKNBWKXRSDCF-INIZCTEOSA-N 413.478 1.996 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1300322144 QOVAXGMWHFVVJL-INIZCTEOSA-N 408.462 1.045 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1300493247 SUUJPKNJXRHOIH-IRXDYDNUSA-N 417.535 1.700 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300495391 GZARCHOHJUYHAV-HUUCEWRRSA-N 421.548 1.651 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCC=C)[C@@H]1CCS(=O)(=O)C1 1300506107 MKQZSBTVWBSMQM-HZPDHXFCSA-N 410.565 1.676 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1cnnn1C 1300561849 UPTGODWQSHDKLM-UHFFFAOYSA-N 411.473 1.975 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(C)(C)C(=O)NC 1300572161 QHCWLVMWTNBPHL-UHFFFAOYSA-N 407.474 1.909 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCS(=O)(=O)CC2)CC1 1301107918 HVOFGAVERZPNJM-UHFFFAOYSA-N 409.556 1.644 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CC)C1 1301558216 UDXHIIHDDHZWIO-KZNAEPCWSA-N 423.583 1.446 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1301649224 GYVMJKQLQVRBPO-IEBWSBKVSA-N 421.505 1.400 30 10 HDEE CSCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1302743746 XYWUGCKMQCDZHU-KBPBESRZSA-N 416.573 1.150 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1303202913 LTURSKMZZDAZCE-OAHLLOKOSA-N 409.336 1.478 30 10 HDEE Cc1ccc(C(=O)NC[C@@](C)(O)c2cccc(F)c2)cc1S(=O)(=O)NCC#N 1303813276 CKTGQEUDOKZOIQ-LJQANCHMSA-N 405.451 1.574 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC2(CCOCC2)O1 1304236010 XKQXCRBGNBOJNU-GOEBONIOSA-N 407.492 1.069 30 10 HDEE Cc1nnc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)s1 1304779820 CDPZFTSNYSINGK-DGCLKSJQSA-N 409.541 1.321 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C(N)=O)cc3)CC2)n1Cc1ccc(C#N)o1 1306196686 WZJLGLKCUUUOGB-UHFFFAOYSA-N 405.462 1.779 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(c2cccc(CNC(=O)N3CCN(CCC#N)CC3)c2)C1=O 1312687631 RDXQAMBNIABWLK-QFIPXVFZSA-N 424.505 1.652 30 10 HDEE CC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(F)ccc1OC 1313325594 JYXBPWIPLZJCDK-HNNXBMFYSA-N 401.398 1.686 30 10 HDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1314630149 HBRJINRJVYZNFY-RBUKOAKNSA-N 424.505 1.803 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1 1314929454 XDYYXKSAUQMYTO-UTKZUKDTSA-N 412.494 1.020 30 10 HDEE C#CCN(C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)[C@H]1CCS(=O)(=O)C1 1318285228 PMERAKKGOGMODL-KRWDZBQOSA-N 413.455 1.302 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1ccccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 1318980925 GEVYKRAXSSDOJP-CYBMUJFWSA-N 421.500 1.417 30 10 HDEE C#CCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1346959195 NATHKSPGORZTEU-PYOKUCOHSA-N 402.413 1.774 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)(C)C 1358938650 HEOZOIOCXJYVEN-HRCADAONSA-N 411.572 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1358976750 OZQPRVFRMXBJQD-UHFFFAOYSA-N 412.457 1.047 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2sccc2C)CC1 1359029376 WCCZTSBRZZFUSL-HNNXBMFYSA-N 422.580 1.062 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1359037622 QFUVCAQRFDSHPO-OXJNMPFZSA-N 401.536 1.226 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359055133 UADNFCJMOVPLSA-HNNXBMFYSA-N 405.549 1.638 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1359058101 SOCLERFOBYHKQO-SJLPKXTDSA-N 404.584 1.196 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCC(O)CC1 1359115612 GPOKMAHOPDCZFR-UHFFFAOYSA-N 404.559 1.650 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359123189 QLQOVZUQHFVYTL-UHFFFAOYSA-N 422.537 1.303 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359126805 ZJUNGDDNNAXNHT-MRXNPFEDSA-N 422.530 1.724 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)CCC)C1 1359300317 ZBLIDWCFJCPNHT-ROUUACIJSA-N 404.559 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1scnc1C 1359331151 OQHWCVGZZSCRCL-UHFFFAOYSA-N 419.536 1.737 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1359336357 MXVZENHHZBKNHI-UHFFFAOYSA-N 421.571 1.285 30 10 HDEE COc1cc([C@H](C#N)NC(=O)C2CCC(S(C)(=O)=O)CC2)cc(OC)c1OC 1435804051 SRGVMMKEGPEWPK-ZALBZXLWSA-N 410.492 1.997 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CCc3nnc(-c4cccc(C)c4)n3C2)CC1 1436030965 ZOMYMIWCJXXBOD-IBGZPJMESA-N 405.502 1.804 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1436172998 YDCTXWXAKBEAPU-JXFKEZNVSA-N 403.552 1.898 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@@H]1C(=O)OC 1440075108 HOKIQYPLFRATMB-CALCHBBNSA-N 412.398 1.764 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)C2 1452406525 OWSGHCBVYYSFQH-UHFFFAOYSA-N 412.471 1.198 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C[C@@H]1COCCO1 1452989122 GBMXUSBQNVGVGS-ZBFHGGJFSA-N 409.508 1.014 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nn[nH]c1C(=O)OCC 1455641091 PRCVEWLXKKAWFL-KGLIPLIRSA-N 419.482 1.952 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCCC2)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1463086703 FGZCAURVKPGLFR-HXUWFJFHSA-N 420.535 1.682 30 10 HDEE Cn1nnc2c1CC[C@@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1469520671 HCHZRYYLJMMPFH-IYOTWJRTSA-N 414.510 1.575 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@](C)(O)c1ccccc1 1469755702 YHNLRQGUKNZFFL-YWZLYKJASA-N 401.488 1.905 30 10 HDEE COC(=O)C[C@H](CNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1470119115 FQKDCMSCUQMEHD-GXTWGEPZSA-N 407.492 1.209 30 10 HDEE CSc1ccc([C@@H](CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)N(C)C)cc1 1470288631 ATRCENHFSPKCAS-KVSKMBFKSA-N 422.576 1.591 30 10 HDEE N#Cc1nc(NC(=O)NCC2(O)CCC3(CC2)OCCO3)ccc1Br 1476946414 AEBWACPFDSGOHO-UHFFFAOYSA-N 411.256 1.885 30 10 HDEE CCOC(=O)N[C@@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)CC(C)C 1477351262 CYTCYDWWTCAQNT-QGZVFWFLSA-N 402.499 1.946 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCOCC2)CCO1 1505321860 FSCNJRZWYNTJFM-IRXDYDNUSA-N 423.539 1.116 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCOCC1 1507540948 GXZKUFQQAGWIBQ-ICSRJNTNSA-N 413.570 1.954 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507622824 MFKFEXPKDJBPSE-HZPDHXFCSA-N 405.528 1.100 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1507634279 YGVCWBFYLYQAPI-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2COC)CC1 1507726543 IQJKEWBGJDLQIU-UHFFFAOYSA-N 422.533 1.350 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1507750803 FLMDAKPGDKPDNA-IRXDYDNUSA-N 405.568 1.842 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508075254 VWVSZGGUDBSUHT-SJLPKXTDSA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nccs2)C1 1508091804 WOUCINZCXNLYEV-LSDHHAIUSA-N 418.523 1.509 30 10 HDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)c1=O 1515791543 HDNKCRPXGXCHRJ-SZMVWBNQSA-N 414.510 1.828 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)n1 1517401109 BOSMZKLWQCEDIQ-UHFFFAOYSA-N 408.466 1.521 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1534083091 PUBQLAIFSGZBSF-UHFFFAOYSA-N 416.434 1.379 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539062848 FQVPEDKBVWXSFL-UHFFFAOYSA-N 423.521 1.718 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1539155043 SAQDJQCISFYDNM-HXUWFJFHSA-N 401.467 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccs1 1539295654 DOQOSBLGCSMMDF-HNNXBMFYSA-N 405.549 1.655 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1540071018 CDNLFJJNFCSKJV-HOTGVXAUSA-N 404.540 1.885 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)NCCOC)CC2)c1 1540647180 MLLDCGVIRBZPIA-UHFFFAOYSA-N 406.504 1.098 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCN2CCc3ccccc3C2)c1 1540670879 YIGIBMSSTRDZDM-UHFFFAOYSA-N 401.463 1.911 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CC)CC1 1540799723 RSJBKMZZMYDGEO-CQSZACIVSA-N 423.963 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC[C@H](C(N)=O)C1 1540866837 CBRRHUWERPERCZ-HNNXBMFYSA-N 405.462 1.107 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1540876485 SPEZHCULJPACFN-GOSISDBHSA-N 406.490 1.779 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2)C1 1540890320 CQIHFTHGIVZDMA-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](OC)C(C)(C)C1 1540900972 OVIYXYNWJUYDDV-MRXNPFEDSA-N 407.540 1.746 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1541105340 HHKQONYGXXXZMI-ILXRZTDVSA-N 420.539 1.586 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)COCCO2)CCOC1 1541105437 IXSALMOCLQNYGB-LSTHTHJFSA-N 407.515 1.720 30 10 HDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@@](C)(C#N)C2)CC1 1541990377 FRLWOZRUCCWDEW-BEFAXECRSA-N 422.555 1.541 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cn(C2COC2)nn1 1545826105 FVPIJNODBROCFL-CYBMUJFWSA-N 415.502 1.146 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@@H](C)C#N)C1 1548042601 FQGGWFMLHPMOPV-FIAFPZFSSA-N 407.515 1.528 30 10 HDEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCNC(C)=O)cc1 1554866962 HDWHOJCTGMMMHN-IBGZPJMESA-N 423.521 1.656 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCNC(=O)C(C)(C)C 1555625874 HERXPUSJYFRQHT-OAHLLOKOSA-N 406.531 1.904 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccncc3NC(=O)C(F)(F)F)CC2)c1C#N 1556216725 CUHSQDFCKVSUCE-UHFFFAOYSA-N 421.383 1.458 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCCN1C(=O)OC(C)(C)C 1557325182 AHGIABNTCDRSNY-CQSZACIVSA-N 422.507 2.000 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC[C@H](O)[C@H](O)CC1 1558436067 ODRMWPRIWSEBJB-QSPRXWTASA-N 423.535 1.065 30 10 HDEE Cn1c(=O)[nH]c(NCCCOc2ncc(C(F)(F)F)cc2Cl)c(C#N)c1=O 1559159196 ZITPQVBYQNATPG-UHFFFAOYSA-N 403.748 1.893 30 10 HDEE COC(=O)[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@H]([C@H]2CCCO2)C1 1560165544 OHDYHQFIEIOHAR-LSTHTHJFSA-N 410.470 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C[C@@H]2COc3ccccc3O2)[C@H](C#N)C1 1561338775 HKBWMKLTASYLIH-CABCVRRESA-N 423.491 1.601 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531878 ZUWUVGQMVGSQBT-PVAVHDDUSA-N 402.499 1.896 30 10 HDEE CCOC(=O)c1sc2[nH]c(CSCCC(=O)NCC#CCO)nc(=O)c2c1C 1568141637 AOXKTKATVUTYJB-UHFFFAOYSA-N 423.516 1.205 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1583966904 WBYTWCJRRGSEIQ-UHFFFAOYSA-N 418.494 1.857 30 10 HDEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c21 1585138954 OLCPAHKEJZRYJD-RBZFPXEDSA-N 416.503 1.798 30 10 HDEE N#Cc1c(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)nc2n1CCOC2 1586254065 ISAKNEAKTRNHKE-UHFFFAOYSA-N 423.473 1.931 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1588065207 VZIWKXUIPFGTJE-GVDBMIGSSA-N 403.483 1.421 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCC[C@@H]1C 1588088861 BFWBZAXAUXWDMO-NYVOZVTQSA-N 400.523 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H](C)N(C)C 1588093258 HTNJHUSVADBKHO-MRXNPFEDSA-N 411.506 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCS(=O)(=O)NC 1588128086 BWKRQYRAQIIHPL-UHFFFAOYSA-N 424.486 1.222 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4nc[nH]c4c3F)CC2)cc1 1588157783 HLULNFMBEYCJMR-UHFFFAOYSA-N 413.434 1.720 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1588275768 AWKHFABOZJGFRO-UHFFFAOYSA-N 412.519 1.810 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594720307 IOTQXYUDDSMSST-OAHLLOKOSA-N 400.462 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1595758586 ATJCLMMPBYFTPW-GPMSIDNRSA-N 412.556 1.777 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCOC2=O)c1 1596611226 IKHVKFRSVWNLCY-CAPFRKAQSA-N 408.480 1.670 30 10 HDEE N#Cc1ccc(C2(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)cc1 1596663071 KIRWYNDOCAQMRX-UHFFFAOYSA-N 424.482 1.419 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1596695504 CSWBNUHPZUBQIA-UHFFFAOYSA-N 409.494 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)c3c(F)cc(C#N)cc3F)CC2=O)C1 1603252183 FBUHEUMGGXHGDT-GFCCVEGCSA-N 420.416 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3c(F)cc(C#N)cc3F)CC2=O)C1 1603252185 FBUHEUMGGXHGDT-LBPRGKRZSA-N 420.416 1.786 30 10 HDEE N#C[C@@]12CN(C(=O)COc3ccc(Oc4ccccn4)cc3)C[C@H]1CS(=O)(=O)C2 1611159299 JYZNSLZDYYZKHU-YWZLYKJASA-N 413.455 1.649 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1611286017 BQMKQNYAKZTYLR-HNNXBMFYSA-N 424.509 1.970 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1620158093 SGTMXCKGXKRVTL-CZUORRHYSA-N 405.480 1.308 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1620451014 NDQRGAIBTSDMCO-UHFFFAOYSA-N 405.520 1.260 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1623658574 AAWCIAGXFQXQRV-KRWDZBQOSA-N 408.520 1.641 30 10 HDEE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1624563251 XUMCELWUVCSFLY-KRWDZBQOSA-N 413.283 1.531 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(F)c2)c1OC 1628486509 XDYMHMUSVSRVSJ-OAHLLOKOSA-N 407.423 1.502 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CS1(=O)=O 1628692224 MXBLJXLXLGZTAI-BNOWGMLFSA-N 409.895 1.646 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1633742779 BMKYZMMCKBSSTI-HNNXBMFYSA-N 422.356 1.435 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1Cc2ccc(Br)cc2C(=O)O1)C(=O)OC 1635158927 OHDUOCYYAUWJHI-KGLIPLIRSA-N 412.236 1.391 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl)C(=O)OC 1637696454 FHQJOLVTNQLTGD-AWEZNQCLSA-N 400.884 1.712 30 10 HDEE COc1cc(N)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1S(C)(=O)=O 1637929385 UKWFGIOEIHKYDV-ZDUSSCGKSA-N 416.459 1.241 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCN3Cc3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1639821944 ORZRZXZGRPTTGV-KVSKMBFKSA-N 407.923 1.701 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)cc1 1642744489 JQZNXPGBTUCZHZ-LJQANCHMSA-N 401.488 1.643 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(F)(F)F 1645009856 ICSFIISXKLPHAT-SNVBAGLBSA-N 414.203 1.688 30 10 HDEE C[C@]1(c2cccc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)c2)NC(=O)NC1=O 1648719299 KENAZGQELRDKQZ-YADHBBJMSA-N 403.442 1.834 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OCC 1648779893 ROZJNDVRWOTBKI-CQSZACIVSA-N 402.831 1.927 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc3sc(CC)cc23)CC1 1650848884 MKWHRYKSCPKFSG-UHFFFAOYSA-N 411.574 1.680 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)c1 1650924325 ZUCDIGRMZFIWHP-UHFFFAOYSA-N 416.503 1.630 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(N(C)C)n3nc(C)cc3n2)cc1 1651156923 TUAKDSUIZGJISI-UHFFFAOYSA-N 414.491 1.820 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)Cc1ccccn1 1653709288 FMDIZACCQYOFCO-UHFFFAOYSA-N 406.446 1.982 30 10 HDEE C#CC[C@H]1CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1655563114 XXXTZFAELJMHMT-SJORKVTESA-N 405.520 1.380 30 10 HDEE N#CCC(=O)N1CCN(C[C@H](O)COc2cc(F)cc(Br)c2)CC1 1658693851 OSSIPOGZETYXGT-AWEZNQCLSA-N 400.248 1.386 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Br)CC1 1664544125 KLCHIBBJUBJHMF-UHFFFAOYSA-N 404.282 1.615 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c(Cl)c1 1664985629 OJBDUQRHNGFYCT-UHFFFAOYSA-N 421.910 1.902 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1682616904 AFUHZBCCRGOEMG-ZACQAIPSSA-N 424.542 1.925 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C[C@@H](C)S1(=O)=O 1686929078 CBPKAPMMMCOZDV-HZPDHXFCSA-N 404.536 1.740 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccn2)CC1 1690169699 LHIMLSJHZQEPMQ-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1690509163 YMMAPXZNHCDAPZ-KRWDZBQOSA-N 415.494 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ncccc2N(C)C)C1 1690684739 MQALTWIRNMFBHJ-MRXNPFEDSA-N 413.526 1.707 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN1CCCO 1696867773 HOWRPADNIXSGGC-UZLBHIALSA-N 401.490 1.572 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1nncn1C 1698236536 CMQFZTGTTULOLU-HKUYNNGSSA-N 422.493 1.687 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1CCC(=O)N1 1705624849 QZEWWIIBPJAIBD-QGZVFWFLSA-N 404.474 1.858 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCN2CCCCC2)CC1 1705632401 OSTYVQXFIKCQKC-UHFFFAOYSA-N 415.586 1.438 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC(F)F)c3)n2CC2(O)CC2)CC1 1705634500 YOLYSUVOSFPCHL-UHFFFAOYSA-N 403.433 1.827 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1705676143 OYEWSNFVEDLHGF-HXUWFJFHSA-N 414.535 1.292 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705687636 HEPFSDBTKUHVBH-HUUCEWRRSA-N 423.315 1.793 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCN(CC)C1 1705883232 ANMTWRNZFGJNTN-INIZCTEOSA-N 416.526 1.986 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CCS(C)(=O)=O)C1 1705928069 AQFXZBKIGCKTCQ-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1706070348 LAACHPCFRPWYON-KFWWJZLASA-N 420.543 1.258 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCN(CC)C1 1710735208 BSAZSQXJNOGFIK-SFHVURJKSA-N 424.553 1.750 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1712577439 UNASPJSUZIKRQB-CVEARBPZSA-N 420.514 1.037 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722369326 XPOSVJOFTBSKGW-KRWDZBQOSA-N 400.504 1.926 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCOC1CCOCC1 1722387039 RDFZXHXOPIISGA-UHFFFAOYSA-N 410.522 1.798 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(C2CC2)C1 1722428418 YWHPWNHWDTZWFE-LJQANCHMSA-N 411.554 1.710 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2CCC(OC)CC2)CC1 1722440652 KXXLGIFPQUWVQE-UHFFFAOYSA-N 414.554 1.361 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCc1cnccn1 1722695532 GRRFOWVYXRYYIQ-UHFFFAOYSA-N 412.885 1.765 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1722730996 AHEGMCRZYPJNRL-QKLQHJQFSA-N 424.567 1.910 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1722795009 BPYHXCZZRLDJCE-NRFANRHFSA-N 411.485 1.551 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1ccccn1 1723940453 CGQMOJCYSQDNJT-DNVCBOLYSA-N 417.539 1.656 30 10 HDEE CCC(CC)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)OC 1727147041 ASDLQPAWHKRZPU-GJZGRUSLSA-N 411.528 1.114 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1729639484 PLNHVUJKEGCEGO-NJNPRVFISA-N 424.505 1.319 30 10 HDEE COCCO[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730894665 FKKYVIYAERQBRJ-DXQAYGFFSA-N 418.498 1.170 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccnc(OCC(F)(F)F)c2)CC1 1740697286 YQCXSHDZYTXMTG-UHFFFAOYSA-N 408.428 1.980 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740723925 WRSKYIFZXIAVGA-QZTJIDSGSA-N 405.568 1.655 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CC)CCS(C)(=O)=O 1740756278 GQEBUQVPMUXAHI-RDJZCZTQSA-N 420.539 1.587 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1740940459 HDCKMLNFUONXGA-FQEVSTJZSA-N 419.482 1.450 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740962709 MHYLBYSIBUFFLY-OALUTQOASA-N 422.533 1.470 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1741123952 CIUMLCIZSFFPBU-XZLOLGPPSA-N 424.571 1.425 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(C)CC2)CCO1 1748221923 CEWVNFMGAAEKJG-GOSISDBHSA-N 424.505 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1748650663 BHGPESPERJUASO-ZIAGYGMSSA-N 403.464 1.746 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748819603 PPIQUDVARDRNAA-HXUWFJFHSA-N 421.526 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1ccnn1 1748824678 HHODUEWIZSOEOW-UHFFFAOYSA-N 416.489 1.902 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NC2CCCCC2)CC1 1748990800 LLMIAUWGRWBAOO-IBGZPJMESA-N 414.554 1.724 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1749084294 QNUGLWCISALTQR-UTUOFQBUSA-N 422.349 1.411 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(Cc1ccnn1C)C1CC1 1760144994 GEGNFXMQGUFGBQ-AWEZNQCLSA-N 405.528 1.204 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC(C)(C)C(=O)NC)CC1 1760261758 BMBTWQHGESVTKM-UHFFFAOYSA-N 408.550 1.705 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1760488953 LAGHDNFOKBTJOP-JKSUJKDBSA-N 419.555 1.841 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1760521686 AYYSTMLAPZNXGJ-OAHLLOKOSA-N 411.572 1.572 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC2(CCOCC2)C1 1760526902 JCOQEVMRROVMOW-UHFFFAOYSA-N 416.526 1.100 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760528269 XIRLANACIIRZGL-HZPDHXFCSA-N 415.494 1.782 30 10 HDEE CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1766064888 GYXHACJWPISADC-CABCVRRESA-N 420.539 1.931 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC2(CC2)C1 1766878125 UCEAXHRGVWKGSQ-UHFFFAOYSA-N 410.478 1.434 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1769277203 XKJFLDUMRXOFPP-IRXDYDNUSA-N 413.457 1.357 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1771183712 RYDSKVNGFAVANQ-YKHTYXQRSA-N 418.498 1.375 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1771349659 ABZNOHBKCPAMNO-QGZVFWFLSA-N 412.475 1.400 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1cccc(C)c1)C(=O)NCC#CCN1CCCC1 1850012544 HOEMEJJRJLYPCK-IBGZPJMESA-N 423.604 1.610 30 10 HDEE O=C(NCC#CCN1CCc2ccccc2C1)[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 1850213003 DUURPHCYIRSABH-HXUWFJFHSA-N 415.559 1.369 30 10 HDEE N#Cc1cn(CC(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)c(=O)nc1O 1851167749 LMCBQHFDZMYLRP-UHFFFAOYSA-N 416.437 1.838 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851351560 WHQSJXMEBMZSGS-OALUTQOASA-N 418.501 1.881 30 10 HDEE O=C(CN1C(=O)COc2ccccc21)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852094455 NGFZNZPBNVZCSD-UHFFFAOYSA-N 405.354 1.283 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3C[C@H]3CCCO3)cnn2C)CC1=O 1852379143 NZXDEVRDYGOJLA-LSDHHAIUSA-N 413.482 1.139 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccccc4F)C3)CO2)nc1 1852469250 YXXNOCBODCFJOG-IAGOWNOFSA-N 410.405 1.804 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)c1csc(N2CCN(c3ccccc3)CC2)n1 1852841612 QEMYDSGYWBLCPW-UHFFFAOYSA-N 418.544 1.248 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1=O)[C@@H]1CCN(C)C1=O 1853683382 WCPOKQAIXDUQKN-RBUKOAKNSA-N 409.490 1.423 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CCN1CCCC#N 1854282039 ZRFCPRXVBHUCPY-HUUCEWRRSA-N 408.499 1.721 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccnc(Cl)c2)C(=O)C12CCCCC2 1854421328 MFHZONZRHWJRPP-UHFFFAOYSA-N 410.883 1.576 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625769 APCZZNWXQAVWOQ-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE Cc1cnc(C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1854800050 ZTCRWGXPGDBRJO-SFHVURJKSA-N 406.446 1.336 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854820392 KBVSZXNPNXKZMY-LAUBAEHRSA-N 400.454 1.582 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)c3ccncn3)C2=O)CC1 1854863428 KEJOAYZLVHQDEK-SFHVURJKSA-N 406.446 1.275 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)C3CC4(COC4)C3)C2=O)C1 1854869003 FONSEUXMTLSVAI-GOSISDBHSA-N 410.474 1.351 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855164280 XLTYBDXGXAEAEW-SJORKVTESA-N 416.547 1.773 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C2)CC1 1855867264 LEIPZUOBCNHNOL-SJORKVTESA-N 412.465 1.789 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cc3nc4ccccc4o3)C(=O)C2)cc1 1856310488 UDTFWXKCCDNJJJ-UHFFFAOYSA-N 404.426 1.992 30 10 HDEE COc1cccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857056167 KTSLJNQQZLSJNZ-KRWDZBQOSA-N 419.503 1.178 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@@H](CN4CCC5(CC4)C[C@H]5C#N)CC3=O)cc2n1 1857213245 GVXOSGSSMQDPSW-SJORKVTESA-N 406.490 1.961 30 10 HDEE CCOC(=O)CN(C1(C#N)CCCC1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 1857955986 UBFVXQZLIZMYLJ-UHFFFAOYSA-N 407.448 1.522 30 10 HDEE COc1ccc(OC)c(/C=C/C(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 1860733280 WILFENLCHJXFBG-WEVVVXLNSA-N 418.471 1.292 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)C1CCN(CC)CC1 1861160412 DHHMMHLMYILWOT-FQEVSTJZSA-N 401.507 1.673 30 10 HDEE O=C(NCCCn1ccnc1)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869932251 YGNOTALRAXWOFH-IBGZPJMESA-N 423.498 1.869 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1 1874432346 AINAIYLFBLJHSE-UFFVCSGVSA-N 404.496 1.423 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3ccc(C#N)cc3F)CC2)n1 1889404786 QMAKNQFUONAZRA-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC[C@@H]1C#CCN(C)C 1889871345 HKCNTKOFVTVYCV-RBUKOAKNSA-N 420.579 1.348 30 10 HDEE CN(CCC#N)C(=O)CN(Cc1ccccc1)CC1(O)CN(C(=O)OC(C)(C)C)C1 1982214088 PPWWHYBASUTOSN-UHFFFAOYSA-N 416.522 1.842 30 10 HDEE C=C(CNC(=O)[C@@H](F)C1(O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991967096 VHLGUIZVDMBQHB-CYBMUJFWSA-N 414.283 1.610 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 1995109849 OBPUQHIADYNNSY-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE C=CCN(CC(=C)Br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c1coc(B2OC(C)(C)C(C)(C)O2)c1 2243370182 LKDYFPRXNBBWMF-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247861172 HJWUYQYVPYOBMG-UHFFFAOYSA-N 411.267 1.591 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2247928067 WJMNWHVOMQUBTM-KRWDZBQOSA-N 408.311 1.780 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NS(=O)(=O)C1CC1 2269032168 LWUBHIFIVLBKFE-UHFFFAOYSA-N 407.344 1.126 30 10 HDEE C[C@H](CNC(=O)c1ccc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2281819285 MMPFMRDQUKKGEA-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE Cc1cc(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282190002 NKXSUSASBUKVAG-VXGBXAGGSA-N 401.359 1.907 30 10 HDEE CN(C)C(=O)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304353 JPFXVBDNPXLWSM-UHFFFAOYSA-N 422.765 1.409 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(C(N)=O)CC3)cc2Cl)OC1(C)C 2282316826 ILYBRSYGBYDKQK-UHFFFAOYSA-N 420.749 1.245 30 10 HDEE CN1CCC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282329810 RMRIIOICPBBPAO-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](CCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282418211 MYNXJROSYPJVOF-BETUJISGSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@](C)(O)C2CC2)OC1(C)C 2282508200 SGNGVJRWVSXNLT-MRXNPFEDSA-N 402.347 1.023 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O 2282581656 KTYAAKNXOHUKRV-PWSUYJOCSA-N 401.359 1.907 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(C)CCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282833587 JAGHZRPZWPBUAJ-PXAZEXFGSA-N 401.359 1.938 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834103 PEWUAIZRYQGLHY-RYUDHWBXSA-N 419.399 1.764 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](CN)[C@@H](C)C1 2282834169 QECGFAONYRNVER-AAEUAGOBSA-N 400.375 1.571 30 10 HDEE CS[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282849194 XRCPMMFDNIDPEQ-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282864415 FTOUQUAOZWQNDR-VWLOTQADSA-N 403.331 1.419 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](CCO)C2)OC1(C)C 2282866224 GEXQEZSHNNJRFT-ZDUSSCGKSA-N 401.359 1.581 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](O)C(F)F 2282868791 SMEZJGWNMHNQDE-JTQLQIEISA-N 411.301 1.650 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@H](CC(=O)O)C3)c2)OC1(C)C 2284393881 QQQLOFWRBWJTCL-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](F)C[C@@H]2C(=O)O)OC1(C)C 2284399941 PWADUSMOFHVGBM-MWLCHTKSSA-N 405.278 1.233 30 10 HDEE COCC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284459523 MJISRSFNBAZTKR-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE CC(C)(O)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284469635 ZDEXSFLWXGDORH-SNVBAGLBSA-N 403.693 1.655 30 10 HDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1C#N 2285472079 FVWBTTPWKOHYKA-LBPRGKRZSA-N 401.460 1.594 30 10 HDEE CC[C@]1(C)[C@@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2361992817 UGQOZSUJRSTKAA-SUMWQHHRSA-N 401.359 1.971 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCCNC(=O)OC(C)(C)C 2365213174 VQHCUNQUHCPDIL-HNAYVOBHSA-N 404.573 1.847 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1 2367791417 JEYUHJGNTQVMLZ-BZUAXINKSA-N 400.541 1.475 30 10 HDEE C[C@H]1C[C@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367796550 QKCQGCKJMRHXOX-GUYCJALGSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367796704 QVKQJYITHIIDCK-HRCADAONSA-N 400.541 1.604 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367799592 BSJZTYNXKLZORC-ARFHVFGLSA-N 401.525 1.780 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCC[C@H]1CNC(=O)OC(C)(C)C 2367815472 LUDFXLGQAWAQPQ-QMTMVMCOSA-N 400.541 1.211 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367822236 DOJILHAOBJKRKN-HNAYVOBHSA-N 400.541 1.307 30 10 HDEE Cc1csc([C@H](C#N)C(=O)COC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 7936517 DRBXYWCRSKRQQD-CYBMUJFWSA-N 418.475 1.768 30 10 HDEE CCCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 12405271 STEJKDXTRBFPKN-AEVYOOLXSA-N 403.483 1.122 30 10 HDEE C=CCNC(=O)[C@H](NC(=O)c1cccc(OC)c1)C1CCN(C(=O)C(C)C)CC1 36211198 MGGRGJWDXPUSTO-LJQANCHMSA-N 401.507 1.990 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)c(S(C)(=O)=O)c1 105326915 AWFQZDWMZMOQCS-UHFFFAOYSA-N 420.516 1.087 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccccn2)C1 203567874 KKAFLROMCPEWNH-IPYPFGDCSA-N 422.445 1.168 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)cc1C#N 427139306 FDDSBORECAQOHD-UHFFFAOYSA-N 413.503 1.379 30 10 HDEE N#Cc1nc(NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1C(F)(F)F 443511106 SJPZENKEPKUGPH-UHFFFAOYSA-N 403.364 2.156 30 10 HDEE C=CCn1c(Cc2noc([C@@H]3CC(=O)Nc4ccccc43)n2)nnc1N1CCOCC1 445204512 AXWNTVVXPYOUKD-OAHLLOKOSA-N 421.461 1.749 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)n2ncnc2n1 475564954 ZLLSSNBHCPDMML-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 486267034 NZBXFWORGQFJBW-KRWDZBQOSA-N 405.414 1.812 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 513076716 RJZDXLPEZZZZBD-IBGZPJMESA-N 418.494 1.265 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccccc1C#N 515664288 OHLWBTBPOSICPT-UHFFFAOYSA-N 415.478 1.195 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 515697179 AJDGUEVADMMPKZ-AWEZNQCLSA-N 403.529 1.582 30 10 HDEE Cc1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1S(=O)(=O)NCC#N 530892487 ZZCLBTWCEYSYLI-UHFFFAOYSA-N 409.414 1.884 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 532799831 CWYHSNHZOAPYLT-UHFFFAOYSA-N 409.471 1.035 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@H]3C2)n(Cc2ccccc2)c1C 544523871 KZFMKRVDAXOVPP-FQEVSTJZSA-N 407.518 1.980 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(=O)(=O)CC)CC1 558981615 GQYUHPHORCEQGH-UHFFFAOYSA-N 419.551 1.947 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 578051700 MWQFDFIFFDQKBD-INIZCTEOSA-N 419.493 1.995 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@@H](C)O)cc1 584867896 SDCIYHVCPVBDJL-KZULUSFZSA-N 423.441 1.489 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cccc(OC)c3OC)N2N1 588225196 YQHPPSUXRXZAQD-LJQANCHMSA-N 408.483 1.766 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)CC1 603636645 ITQWBEBNMDSAFD-UHFFFAOYSA-N 424.526 1.955 30 10 HDEE C=CCCCN(C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 605905334 ACULRDXHBZXAGT-HNNXBMFYSA-N 415.537 1.582 30 10 HDEE COc1ccc(CN2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)c(OC)c1OC 609671805 QNRMURVWXKJYOO-FQEVSTJZSA-N 424.501 1.928 30 10 HDEE Cc1nc(=NC(=O)c2cnn3cc(Br)cnc23)n(-c2ccc(C#N)cc2)[nH]1 611285652 GZGRHHYZIPIBSJ-UHFFFAOYSA-N 423.234 1.927 30 10 HDEE C=CCC1(C(=O)O)CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 722826977 BLTCXBRIJBMNPS-UHFFFAOYSA-N 420.487 1.601 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)[C@@H](C#N)c2nc(O)c3ccccc3n2)CC1 725795833 MOGAYUHTBGVALO-QGZVFWFLSA-N 413.441 1.601 30 10 HDEE C#CCN(C(=O)CCCc1nc(-c2ccc(OC)cc2)no1)[C@H]1CCS(=O)(=O)C1 729334433 OZQJHGOCRUVJHU-INIZCTEOSA-N 417.487 1.717 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 729808338 AQZQQEQHLHYXBS-BDXSIMOUSA-N 406.548 1.924 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCCC2=O)cc1 732455993 YRXSNFNHHBWVAU-SXZOAGKDSA-N 411.462 1.700 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 739049481 OXLZTFLZTUNOBT-ANHMTHPGSA-N 421.523 1.665 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C(=O)OCC)c2ccccc2)cc1 742111566 UKXFNXMGQPQJQL-IBGZPJMESA-N 414.483 1.675 30 10 HDEE C#CCOc1ccc(C(=O)OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1 745213656 UAGJEIGLFHIAIB-UHFFFAOYSA-N 412.467 1.902 30 10 HDEE C[C@@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 750246089 HNORJWVXANQHQT-ZIAGYGMSSA-N 415.471 1.557 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCc2cnc(C3CC3)nc2)C1 758604181 LNYSHWUVGDONKR-HOTGVXAUSA-N 400.483 1.955 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)C1 761758833 BHEOXYVHYIZXKT-RTWAWAEBSA-N 400.523 1.405 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774144319 BHRFJSCSWXVKEE-RTBURBONSA-N 423.510 1.031 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 776143512 YNDCKRPMOHLPAV-HNNXBMFYSA-N 409.483 1.603 30 10 HDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 780204897 KPMNPNRRHZGPPL-QRWLVFNGSA-N 409.442 1.999 30 10 HDEE COc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)NC1CC1 780948211 CMUGROPXCYTVBE-GOSISDBHSA-N 401.444 1.680 30 10 HDEE Cn1c(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnc1C1CCC1 783157232 MATLRIOUDLRNIZ-INIZCTEOSA-N 422.445 1.903 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)n1 788815460 OXAHKSSIGVVPTO-UHFFFAOYSA-N 422.482 1.195 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)N3CCCC3)CC2)n1 790104812 XHHZRDYFHMFXFU-UHFFFAOYSA-N 401.511 1.419 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)CC)ccc2F)n1 790108041 QBWHWKZTKXIEKH-UHFFFAOYSA-N 407.467 1.738 30 10 HDEE C#C[C@@H](CCC)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 790704919 HCGHLEIXBORLDZ-DLBZAZTESA-N 418.567 1.704 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)C1=O 798546752 GYEKEUWDLOTLLB-DYESRHJHSA-N 401.463 1.317 30 10 HDEE CC(=O)Nc1ncc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)s1 805948844 PHFAWUJHLZEZSI-UHFFFAOYSA-N 408.436 1.649 30 10 HDEE CCCc1nnc(S)n1N=Cc1ccc(S(N)(=O)=O)c(Br)c1 808009630 OTPWJNRGPYUITE-UHFFFAOYSA-N 404.315 1.811 30 10 HDEE C[C@]1(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCC(=O)NC1 809124941 VGIFBMKGJMSJNE-AWEZNQCLSA-N 418.244 1.181 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC2COCCOC2)c1 814618724 DYZQEMHVDRQCHX-RELWKKBWSA-N 424.523 1.817 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)C2)ccn1 856542928 MHTPFQKSZBXUCY-LPHOPBHVSA-N 409.556 1.713 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)CN(/C=C\c3ccccc3)C2=O)CC1 917422537 HDZXOETXATTWPP-NTMALXAHSA-N 402.458 1.968 30 10 HDEE CCC(C)=NNc1nc(SCC(=O)N2CCN(Cc3nnc(CC)o3)CC2)n[nH]1 1084335728 GEZWYOOLSNIFPU-UHFFFAOYSA-N 421.531 1.384 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(I)n1)C(=O)OC 1132197471 UDJBCCXSTRASCB-SNVBAGLBSA-N 404.204 1.932 30 10 HDEE N#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)C1CCCC1 1133069732 FSCAZCNHSFONPV-DOTOQJQBSA-N 417.487 1.822 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1137497635 PFGLEBYYQFQTFR-JLTOFOAXSA-N 414.506 1.514 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NC1(CF)CCOCC1 1141566787 WCBVXIIWOGTKJM-UHFFFAOYSA-N 411.499 1.920 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cnn(Cc4ccccc4)c3N)C2=O)cc1 1156591807 HTNFCOFMEZCYHW-FQEVSTJZSA-N 414.469 1.916 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)C(=O)/C=C\c1ccc(F)cc1 1167023658 CRWNVXKRJFFVEP-DFOOEPSASA-N 422.453 1.523 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C[C@@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OCC 1171439819 PLJZIBFKQYJUDY-CHWSQXEVSA-N 401.868 1.802 30 10 HDEE C=C[C@H](CO)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1174798245 NSBAONBJSBPMDQ-OAHLLOKOSA-N 410.540 1.002 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1179869813 PHVCEYIQVOSTGM-UHFFFAOYSA-N 404.517 1.492 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCC1 1181000113 KUTDKQRBDKOBHT-UHFFFAOYSA-N 403.439 1.041 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)c2cnn(-c3ccc(Br)cc3)n2)C1 1182823992 WVOUVHAGSDINDA-CYBMUJFWSA-N 403.284 1.995 30 10 HDEE Cn1c(SCC(=O)Nc2cccc(C#N)c2)nc2cc(S(N)(=O)=O)ccc21 1188234190 JAMASTSDSQYYFI-UHFFFAOYSA-N 401.473 1.823 30 10 HDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1195002517 FWJWIFBGUKEMLC-INIZCTEOSA-N 414.491 1.401 30 10 HDEE C=CC[C@@H](CO)CNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 1207053011 MYGMJNIOJQUEKO-GFCCVEGCSA-N 400.401 1.948 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1251416278 GNTOCDMMLUOCDL-GOSISDBHSA-N 411.483 1.772 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2nccnn2)CC1)c1ccc(Br)cc1 1252459506 RMDZGUDMJISYJD-OAHLLOKOSA-N 401.268 1.840 30 10 HDEE CC[C@@](C)(C(=O)OC)N(CC1CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1276688108 JPMRCHMJYSKAET-IBGZPJMESA-N 407.492 1.305 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1286350097 UYIXULWNPXLGTO-INIZCTEOSA-N 410.540 1.429 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(=C)C 1286408868 GBNLIIXSOODYAE-KURKYZTESA-N 402.520 1.234 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286537551 FPGMCYJVZYDJBW-BZNIZROVSA-N 411.304 1.100 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCN(C3CC3)CC2)CC1 1286637745 LZILURRYWXFWNH-INIZCTEOSA-N 422.599 1.919 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](CC)C1 1286792288 TZERWBCNYYGZCM-MRXNPFEDSA-N 403.458 1.914 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1287099341 ZKFCCNBPULKTAY-QFIPXVFZSA-N 424.505 1.749 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1288507115 HNYBJGKHXCMXFR-LLVKDONJSA-N 424.387 1.342 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCN1CCCO 1290864950 FNVOTUWFDZJLMB-IBGZPJMESA-N 410.526 1.027 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1291802884 HFVJKBJMXHIPNF-MRXNPFEDSA-N 423.521 1.790 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1300364702 LVGUXDMHSWJAPP-IRXDYDNUSA-N 407.540 1.089 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN(C)C)cc1 1300471693 LNSSVPLIYLTEMS-UHFFFAOYSA-N 410.522 1.459 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1300630904 JGGCLLWSXIYNRJ-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1CCCn1cnnn1 1300654926 LDEJXIXSOAXXOS-UHFFFAOYSA-N 418.864 1.900 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)OCC)CC1 1300685487 PCVCHBUTNIMVMW-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(=O)NC)C1 1300996351 DUPDRBNOELQSJD-INIZCTEOSA-N 420.539 1.178 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCOC1 1301286097 ANAPLJRPXQDUSJ-GOSISDBHSA-N 406.512 1.012 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C1 1301297538 DPDOMERYFZBNFH-KRWDZBQOSA-N 422.493 1.464 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)c(F)c1 1301379346 RMCITMYHMISMKG-UHFFFAOYSA-N 419.434 1.653 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@@H](O)C2)C1 1301535733 NOZGQMFPELPISX-KZNAEPCWSA-N 403.527 1.847 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCOC[C@@H]1C 1301585576 CVTKHOFPNRLEDL-KRWDZBQOSA-N 404.536 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CCOC(C)(C)C 1301596121 IFNVRMBUZPYVQV-OAHLLOKOSA-N 400.545 1.982 30 10 HDEE COCCN(C)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1301730506 AXUQDPNSJHHSGM-UHFFFAOYSA-N 410.526 1.327 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1302170069 ZEOTUVXBZQKUIP-LJQANCHMSA-N 424.505 1.585 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1302428883 MXNTUXFEUNOGFI-GOSISDBHSA-N 403.479 1.565 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)C1 1302977856 DIOTUZIMNJXUJE-FQEVSTJZSA-N 412.473 1.970 30 10 HDEE C=CCCC[C@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 1303684980 DOYSPXOQSYCAKM-KRWDZBQOSA-N 424.457 1.844 30 10 HDEE C#CCN1CCC(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1303793144 VTLJXZUFRSYOKJ-CMDGGOBGSA-N 410.518 1.114 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1Cc1ccc(C#N)o1 1303828301 UFRUQGIFUFEHCD-TUKIKUTGSA-N 404.496 1.493 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCS(C)(=O)=O)n1 1304755790 GFRBAVSWBCZAKK-SFHVURJKSA-N 405.528 1.314 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C)c(C(=O)OC)c(C)n2)c1 1304984840 BVDYHUSBIDWCKL-UHFFFAOYSA-N 401.444 1.649 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCn2ccnn2)cc1 1305356235 VUXXVAXNKWRHTN-KRWDZBQOSA-N 416.507 1.555 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(c2cc(Br)c(C#N)cc2F)CC1 1307117855 BTNDRPKVLUHRMA-UHFFFAOYSA-N 405.293 1.825 30 10 HDEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1312763156 JGALIJADHRTEAU-DEYYWGMASA-N 414.528 1.260 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)CC1 1315019871 CRLXZGULSKJEST-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE CO[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1315272777 RYUQKAIPEWLHFV-APWZRJJASA-N 414.422 1.388 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCS(C)(=O)=O 1315631015 HNVIHPRZYGYUQI-INIZCTEOSA-N 419.507 1.041 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)CC(F)(F)F 1316175549 CDJVDKPDUXGPRZ-XJKSGUPXSA-N 422.427 1.938 30 10 HDEE CN1CCN(c2ccccc2CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1318262780 PQPZVSGDASWHCB-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)C1 1320063903 KLAFESIJPBZSNM-QGZVFWFLSA-N 409.552 1.642 30 10 HDEE C=C(C)C(C)(C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1349051133 CAVBGEWLDXEMAA-UHFFFAOYSA-N 400.522 1.970 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1358894498 PZMJJSQAINIOCW-CYBMUJFWSA-N 419.411 1.653 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1358896984 QIAMWVSKERKOPG-KRWDZBQOSA-N 419.551 1.823 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1358927432 YJCWHECNTQYKBF-MRXNPFEDSA-N 417.539 1.256 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1358935950 XYDFOSAQMUCUGC-WWMYMODYSA-N 401.511 1.591 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1CC(=O)N1CCOCC1 1358940613 FEGOINTTWIRKCY-UHFFFAOYSA-N 418.295 1.636 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1csc([C@H](C)OC)n1)[C@H]1CCS(=O)(=O)C1 1358963757 NQBVIRCKZXOJED-ZFWWWQNUSA-N 423.564 1.679 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1358970846 YYFVZOWYKSHLLP-GCJKJVERSA-N 408.506 1.462 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1N(C)CCCC1(C)C 1358997513 VSXDCJCICRZONM-LJQANCHMSA-N 410.566 1.984 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCSC1 1359019960 NENNTISHCORNNI-IBGZPJMESA-N 417.491 1.807 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCC[C@@H]1C 1359027065 UQIXOFFOGFHHKO-KKSFZXQISA-N 400.527 1.777 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C)cc(OC)c2)CC1 1359035093 KRUVFASECFESNH-IBGZPJMESA-N 408.506 1.350 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359057013 PZQMEVQFSFVMGR-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1359198651 WOEOCSRDAAOBLD-JYJNAYRXSA-N 424.571 1.492 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1359462062 RDPAQULLJYGKDY-HZPDHXFCSA-N 412.494 1.869 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCSC1 1360474203 JGRVOYWOAVWZKQ-SGTLLEGYSA-N 404.496 1.612 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1438145357 APAUBRXJSCQEOS-UYAOXDASSA-N 420.531 1.977 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1 1440679769 CNLXDBQJVBIRPN-LJQANCHMSA-N 410.453 1.475 30 10 HDEE CN(C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1446445755 WPUUVZFYYZBKRU-BVGQSLNGSA-N 409.483 1.447 30 10 HDEE C#C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1ccc(Cl)cc1F 1449309938 AHCPYAASSFHMHJ-ZDUSSCGKSA-N 406.826 1.879 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC(O)C1 1450464362 INWXJHFZNBASLN-TZQQIIETSA-N 416.478 1.599 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 1452246123 MYVPKTCSGKQCMP-GOSISDBHSA-N 403.826 1.314 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1452759552 BEGPIAFLDYJQMY-TZMCWYRMSA-N 405.455 1.115 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1455444388 KNHGPBCJOXCGCQ-UHFFFAOYSA-N 418.450 1.625 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NCc3ccc(C)c(C#N)c3)c(CCO)c2=O)n1 1455562335 QJCXUEAJEOPDDE-UHFFFAOYSA-N 406.446 1.217 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1)C2 1456731238 DKPYUKPQIJTSBN-MRXNPFEDSA-N 416.528 1.940 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1458023615 DXFFOJHBJISNOW-MRXNPFEDSA-N 419.489 1.791 30 10 HDEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)n1 1460863725 WVGHAXOPIHWDNA-UHFFFAOYSA-N 410.478 1.864 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@](O)(c3ccc(Br)cc3)C2)CC1 1460890157 QYMHYVKRVAYWIM-FQEVSTJZSA-N 420.351 1.510 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1466719110 BSWDYHNRXASXQE-FOIQADDNSA-N 412.450 1.838 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCS(=O)(=O)C[C@H]1CC(=O)OC 1473704986 QOVIBEZVCRZQCK-LSDHHAIUSA-N 414.549 1.313 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NS(=O)(=O)c3cnn4c3OCCC4)C2=O)cc1 1475187880 BULDFTLCNXIOAO-HNNXBMFYSA-N 401.448 1.011 30 10 HDEE COCC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)C(=O)OC 1475359377 CERIJLXCGCHIQI-LLVKDONJSA-N 409.233 1.316 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)cc1 1475973765 NXTJOIPVFUIHDF-OKILXGFUSA-N 413.521 1.001 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1479498430 QMRXSGBDKSHLPJ-ZIUCBDDQSA-N 424.523 1.107 30 10 HDEE CCCN(CCC)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1500841626 INWGYADBORUTSB-RMYFCYLKSA-N 415.498 1.382 30 10 HDEE CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1502324686 UBLIIXYSBFXBEU-MEUCICPISA-N 424.509 1.330 30 10 HDEE CCOCc1nnc(N2CC[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503046152 WXMGDPSWEPQGQZ-MJWGMMHASA-N 402.499 1.823 30 10 HDEE CN1C[C@@](C)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1503673417 FCYOPTPSVGJPDZ-QFIPXVFZSA-N 421.505 1.387 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1503727630 OTZAUMFYHLHSRP-YADHBBJMSA-N 421.505 1.257 30 10 HDEE COCc1nc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)cs1 1504653629 FCZSXJIVQKSYKO-UHFFFAOYSA-N 410.507 1.831 30 10 HDEE COCCOC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1505027151 MIDQTOBENQSNQO-GOSISDBHSA-N 424.505 1.727 30 10 HDEE CSCCCN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1505258108 XKAAQOZHEGFILF-FBMGVBCBSA-N 415.523 1.989 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1507554842 ZVDUBXJKHLEZQF-GOSISDBHSA-N 418.505 1.905 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507800760 YBIZOUZDHVMEEX-MTNOOBJLSA-N 403.527 1.820 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1507845840 RCSFAKNBZBRCBR-UHFFFAOYSA-N 413.588 1.931 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1507978530 OGSKQRWEWOWPQD-UHFFFAOYSA-N 405.528 1.339 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1)C1CC1 1507987402 BEMWAIKAZHTTGT-HNNXBMFYSA-N 424.571 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCN2CCN(C(C)=O)CC2)C1 1508124524 PIXXILIPOSVGPS-IBGZPJMESA-N 402.543 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H]1CSC 1508140945 RIBCCICZTMVNRV-AWEZNQCLSA-N 408.553 1.668 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1513408084 GXWRGSHDJBXFFX-HZPDHXFCSA-N 406.531 1.986 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1516709576 UNHUAKSDTNREFR-UHFFFAOYSA-N 405.462 1.832 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1517126394 ZWWPTCZISYVDQS-IRXDYDNUSA-N 423.477 1.278 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517674779 YCFMTEIQHHVNCD-DNZUHHBVSA-N 416.482 1.002 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nn1 1529264738 JGEXXFWMGKQMPI-UHFFFAOYSA-N 419.507 1.190 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](c2ccccc2)C(F)(F)C(=O)OCC)C1=O 1533845749 PUPYZAYTXZVENY-AWEZNQCLSA-N 423.372 1.019 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1533968815 RUDMVZHEFABMCZ-MRXNPFEDSA-N 421.494 1.164 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1539011685 CSAWBSOEVZADTE-TXTZMMAHSA-N 421.567 1.505 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1539362167 RHOIXPYCWJCYEO-UHFFFAOYSA-N 407.478 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCC1 1539409195 RMMVHTDSBJSNNA-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539496454 GCQGXDGXKCQLHB-HRCADAONSA-N 407.540 1.083 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1539519065 DAIDZFGZLFGBFA-UHFFFAOYSA-N 418.611 1.732 30 10 HDEE C=C(Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCCOC)CC1)c1ccccc1 1539765662 MEDRYQYUDAPPCX-UHFFFAOYSA-N 424.549 1.754 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1540864321 WIMADGQGCGGLKH-UHFFFAOYSA-N 400.487 1.158 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOC2(CCCCCC2)C1 1540869236 GKKUMJSZDQAPTM-INIZCTEOSA-N 416.526 1.461 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1542632960 YDQMERNDMNSUEJ-HNNXBMFYSA-N 404.463 1.760 30 10 HDEE CCOCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1548235341 WPHOGJYZTIACBD-QAPCUYQASA-N 412.560 1.835 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(CCO)Cc2ccccc2)o1 1555989186 BORULNGJHJKRSU-GOSISDBHSA-N 406.446 1.741 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)n[nH]2)c1C 1557905910 XQRHCSLNEUADTP-CABCVRRESA-N 403.508 1.868 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)CC(=O)N(CC(=O)N(C)C)CC(F)(F)F 1559878686 LHQGAVTXXVFQGI-UHFFFAOYSA-N 414.428 1.486 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H](C(F)(F)F)O[C@H](C)C3)CC2)o1 1560117980 LGTFGTAUDOTHHV-IUODEOHRSA-N 415.416 1.545 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1560182701 OECFNIJMPDAYFH-IFXJQAMLSA-N 414.487 1.606 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1561262116 HJUYRJRSLHECSG-UHFFFAOYSA-N 414.483 1.862 30 10 HDEE C#CCN(C(=O)NCCCCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1564964459 DUVHYUNYZWOPOK-MRXNPFEDSA-N 415.556 1.903 30 10 HDEE COC(=O)C[C@H](CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1CC1 1565071389 GVZOYHFMGSAGIW-OAHLLOKOSA-N 401.467 1.845 30 10 HDEE C[C@H](NC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1565417035 PIFVIUOBMOSHOE-SCLBCKFNSA-N 402.476 1.642 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](S(C)(=O)=O)C1 1567313100 PZKRHZIITZNRNW-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE C#C[C@@H]1COCCN1C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 1583612439 SPVIMVPPDHAAGX-OAHLLOKOSA-N 420.512 1.813 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1583986073 GJZPCUBPRYWKQH-HXUWFJFHSA-N 423.535 1.285 30 10 HDEE CN(C)S(=O)(=O)NCC(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 1584709155 KWDBZODSUJVFJN-SFHVURJKSA-N 402.476 1.342 30 10 HDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1585475746 BHUKUTXVDVMFQP-HNNXBMFYSA-N 407.488 1.969 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)[C@H](O)C2CCCCC2)s1 1586431068 IDLWYAIWUJVELC-CRAIPNDOSA-N 416.565 1.173 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1587766152 PLGGQFWQRDZINL-QGZVFWFLSA-N 423.583 1.836 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1587856675 PFOOHDWIVMFGDN-IRXDYDNUSA-N 409.556 1.303 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1587909463 LOHKLLLEJUJARB-AWEZNQCLSA-N 400.508 1.682 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC1OCCO1)C(=O)OC 1587981729 RJLACKATEKWZKH-STQMWFEESA-N 420.890 1.833 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588064536 JYOWBDCPINMNQK-JQHSSLGASA-N 406.552 1.672 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(N2CCOCC2)n1 1588121089 ZASDIIRWJBPYOQ-UHFFFAOYSA-N 401.474 1.626 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC[C@@H]1COCCO1 1588604400 JCPOJFSRQPXSNP-MRXNPFEDSA-N 405.886 1.885 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCC)CC1 1588638296 RJCOVSCHSDSUER-GOSISDBHSA-N 402.543 1.437 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCO)Cc2ccc(OC)cc2)cc1 1588796559 TXQMSFVIQHQESE-UHFFFAOYSA-N 402.472 1.241 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCC)C1 1589070413 SRTBNYRLGGLHFZ-JKSUJKDBSA-N 412.581 1.409 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)COC)CC1 1589569254 OJWZUVBLEUVXFI-QFBILLFUSA-N 407.515 1.091 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1593736062 WCMUJUKRAAVTLX-INIZCTEOSA-N 405.524 1.865 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCOC1 1594943004 JGDBAGFDRQPAMH-NRFANRHFSA-N 410.478 1.449 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1595142224 POBHXWHCOFCSRB-UHFFFAOYSA-N 412.523 1.945 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2cc[nH]n2)C1 1595713995 JSDAXOKWKHRNDC-MRXNPFEDSA-N 422.493 1.583 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)Cc2nc(C3CC3)n[nH]2)n1 1611072786 LEVUDCPDRVKRCL-UHFFFAOYSA-N 402.509 1.977 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1611309079 XQKXORBNADLFQP-FRRDWIJNSA-N 403.455 1.343 30 10 HDEE Cc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCCN2S(C)(=O)=O)o1 1612012586 BSEUARCSHIIZBS-UKRRQHHQSA-N 406.512 1.866 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1619909601 DBWPEMZTJKJREX-SJORKVTESA-N 410.544 1.157 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)F 1620111289 QBVLSTBURHRBDW-YDHLFZDLSA-N 401.414 1.013 30 10 HDEE CN(C)C(=O)Nc1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1624342128 CIITWCVXAWGXAD-UHFFFAOYSA-N 415.475 1.847 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H]2CS(=O)(=O)NC)c(C#N)cn1CC 1625717831 DBBKFXKWEUEMDJ-ZDUSSCGKSA-N 411.484 1.102 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCN2C[C@H](C)O[C@H](C)C2)s1 1626782483 YVFMALJJFZWYLP-GASCZTMLSA-N 415.581 1.323 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1c(C)cc(C#N)cc1C)CCS2(=O)=O 1627430307 RKUHCMOLFKUGBL-NGEICVOHSA-N 404.488 1.804 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1C#N 1627867740 TUQSTHGGKNNSHP-MSOLQXFVSA-N 402.495 1.763 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2cccc(C#CCO)c2)cc1 1631547633 GYQWYQUEHAJQRM-UHFFFAOYSA-N 415.467 1.048 30 10 HDEE COC(=O)C[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOC1 1632507411 ZFLAQOIKTWCHKR-IOHWQQQBSA-N 421.494 1.612 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1633190944 QWXXHHFXHOMVJJ-HRAATJIYSA-N 424.542 1.306 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)cc1 1634909264 VRQDNVUVCKMPJE-QGZVFWFLSA-N 405.451 1.351 30 10 HDEE CC[C@@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1637107139 ABFHNUWUCPSRLD-INIZCTEOSA-N 409.508 1.893 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)cc1 1637459100 LYKDZALGANKFHF-MRXNPFEDSA-N 405.432 1.216 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C 1637739687 BUZHCRYCNDKAMO-AWEZNQCLSA-N 417.443 1.736 30 10 HDEE CN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(C#N)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 1640560785 QIDJZWULNLQAPQ-FQEVSTJZSA-N 407.386 1.896 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CCCN(C(=O)N3CCc4sccc4C3)C2)CC1 1641040140 DZINFUBBCDYUOM-QGZVFWFLSA-N 401.532 1.925 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CSC1 1641188309 DZPSNIGUEHFHNH-ZDUSSCGKSA-N 404.488 1.643 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC(CNC(=O)C(F)(F)F)C2)CC1 1644232254 ODLSFUQDMLWKJK-UHFFFAOYSA-N 417.428 1.774 30 10 HDEE N#C[C@@]12CN([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]1CS(=O)(=O)C2 1648416391 ZEFLUDLZZURPAW-CXMBCZLWSA-N 414.314 1.969 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CC(=O)OC)c2cccnc2)cc1 1649157130 XAVVROSOOKWGHE-HXUWFJFHSA-N 417.487 1.754 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3cc(C(=O)OCC)no3)ccc2c1=O 1651190522 KCJLFIIWKKWKBE-UHFFFAOYSA-N 414.443 1.966 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)C1 1651805126 BSHQVLRUHITPLZ-BBTUJRGHSA-N 401.507 1.930 30 10 HDEE COc1cc(S(N)(=O)=O)ccc1OCC(=O)Nc1ccccc1SCC#N 1653118519 FUWAXIFWXOUDQG-UHFFFAOYSA-N 407.473 1.976 30 10 HDEE CCS(=O)(CC)=NS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1653467166 GXXUHUAPTWSXMR-UHFFFAOYSA-N 401.514 1.298 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1noc(C2CC2)n1 1654700451 CZBADGUOXLGIMH-OAHLLOKOSA-N 400.508 1.849 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3ncccc3c2[N+](=O)[O-])CC1 1655103235 QIDZXXYVAMIZJQ-UHFFFAOYSA-N 402.432 1.293 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)nc1 1659379518 DEABXSNREZSKII-SFHVURJKSA-N 416.522 1.698 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@H]1CS(N)(=O)=O 1660398804 KHDLZFCLDAMAAE-KFWWJZLASA-N 410.565 1.876 30 10 HDEE CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc(Br)c(C#N)c1 1661981806 CJROURJCNUZXQH-UHFFFAOYSA-N 412.265 1.851 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)cn1 1663023573 JBWRNKZERXINJH-UHFFFAOYSA-N 406.420 1.388 30 10 HDEE C[C@H]1CN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H](C)CO1 1664378470 DCFJEOSZNWYSJS-NEPJUHHUSA-N 402.314 1.708 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCc2ccc(C#N)c(F)c2)c1 1664441675 DSOFAICDYPMSCH-UHFFFAOYSA-N 406.391 1.749 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1671150086 ACMUGGBQABCZGQ-CYBMUJFWSA-N 417.325 1.964 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc2n(n1)CCN(Cc1ccccc1)C2 1674531542 KKNMUHLMWIVGFY-UHFFFAOYSA-N 403.508 1.621 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3c(C(F)(F)F)cnn3C)CC2)c1C#N 1674796740 BFXNRCVQHCBPCC-UHFFFAOYSA-N 410.404 1.384 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C2CC2)c1 1689868440 HAHJKIMSQDLNGA-ZDUSSCGKSA-N 416.507 1.279 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)CC)c1 1689870283 JBVFVHCXJFGXLK-JTSKRJEESA-N 424.505 1.446 30 10 HDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1689887090 OXLZAMDUFAYFFX-AWEZNQCLSA-N 405.462 1.709 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCC1 1689951373 VJYQICFZMXQFFJ-UHFFFAOYSA-N 401.536 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(CC)CCOCC1 1690032844 KPCADFQVAWLVSZ-QGZVFWFLSA-N 421.567 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1690046488 CBUOSXPBQMNYCA-IBGZPJMESA-N 423.492 1.743 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2cccc(C)n2)CC1 1690109100 GWYGILNEPAKPBV-UHFFFAOYSA-N 421.549 1.606 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1690509729 GMSPSMMSIFJTOJ-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCCC[C@H]2C1 1690675210 RZNBLJWCKFMDQN-SFHVURJKSA-N 412.542 1.116 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)C1 1690697596 YNQNLJHJZAQSQY-GXTWGEPZSA-N 419.436 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N2CCCCC2=O)CC1 1690725434 PQHKMBSSDXPCNV-UHFFFAOYSA-N 409.556 1.423 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC(=O)N1C 1693784476 KSHXJAJXUJRKMN-MAUKXSAKSA-N 410.478 1.289 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(C#N)o1 1694359604 BRPDSZQCZXHDQP-CALCHBBNSA-N 416.482 1.559 30 10 HDEE CCN1CCN(CCCCn2c(C3CCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1695894821 IYQKAMIKKNPBNE-LJQANCHMSA-N 401.559 1.692 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1696021547 BLKHXLFJFVSZTP-UZLBHIALSA-N 407.515 1.458 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCS(=O)(=O)C1 1698227176 AFGIQSSGDITWLM-FZKCQIBNSA-N 411.528 1.175 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1COCCO1 1705485548 KUWAOQSANAPJOJ-CRAIPNDOSA-N 408.466 1.184 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1705522641 JXNIOVLOZANJHC-UHFFFAOYSA-N 418.439 1.852 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCSC2)CC1 1705635151 SBZKELRSNDURJS-NQIIRXRSSA-N 419.595 1.829 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)N(C)C)CC1 1705646409 FAIMEYBOLPSLRT-UHFFFAOYSA-N 422.533 1.562 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705889878 JPVXMCHVPDBKHC-HNNXBMFYSA-N 403.487 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)C[C@H]1CC 1705929080 ZJVLBVKMGWBKSO-HZPDHXFCSA-N 409.556 1.740 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1706074211 XGPLECTWVNJPOX-DOMZBBRYSA-N 413.482 1.516 30 10 HDEE COCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1712615330 GUANMUVXHUOMTP-INIZCTEOSA-N 417.466 1.354 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(NC(C)=O)CCCC1 1719843384 HKYDPBLCLGCGOP-BCYZHJNNSA-N 403.523 1.665 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1722307815 AVMSEFJMOGSMDB-SJLPKXTDSA-N 423.583 1.945 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1722408972 ZSAMBUKPOYHQNB-UHFFFAOYSA-N 411.462 1.382 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1722528520 HVWXFUSUJQAPCY-OALUTQOASA-N 418.586 1.806 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1722622106 JFKNKUCRNPXDES-UHFFFAOYSA-N 404.559 1.750 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1CCN(C(=O)OC)CC1 1722681908 VKMRXKQMYPDEPI-KRWDZBQOSA-N 407.515 1.899 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@]1(OC(C)C)CCOC1 1722737235 XRXVGDULPNDJCD-SFHVURJKSA-N 424.527 1.397 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc2n1CCCCC2 1723589829 BUZLHZZMJTVTQK-IBGZPJMESA-N 415.477 1.224 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1cccc(F)c1 1723619954 FJNOWZAYRGILCX-QGZVFWFLSA-N 400.458 1.917 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1728753971 FMJCPGPBSKLAOY-ONGXBYRLSA-N 416.526 1.679 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCC[C@@H](C)C1 1740608623 CCVWNYOSLXIFLC-IAGOWNOFSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740622898 KMHXEMQBOSWZCF-MRXNPFEDSA-N 421.567 1.477 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1740627591 RGTUPZZRVJAVIW-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)C1CC1 1740643419 LPPXIRZUKFGZQU-UHFFFAOYSA-N 400.486 1.949 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)N(C)C)CC1 1740693230 VBRJENVTZYUGNE-NQIIRXRSSA-N 404.559 1.024 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1740731968 NGWBUFXRXPNOCU-MBOZVWFJSA-N 422.551 1.368 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CC1 1740820003 NBXFIKCRJVWHCW-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1740837950 BDLFPMRZZKYBON-RTBURBONSA-N 416.570 1.988 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)n1 1740931065 YJZOUYZNONSCTM-GOSISDBHSA-N 423.521 1.688 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N(C)C[C@H]1C 1740989534 PUKAWIKCZYAJEC-CQSZACIVSA-N 421.498 1.352 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(F)F)CC1 1741114592 ZDIUMLSGZALJMD-UHFFFAOYSA-N 417.464 1.730 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CN(CC(C)C)CCO2)o1 1742204294 DTVMSPILSGXYCM-MSOLQXFVSA-N 414.510 1.932 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(C)=O 1749060173 KFTVOHILGQOZFO-OAQYLSRUSA-N 419.493 1.439 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCOCC2)C1 1749694878 WYACWVXHTXOYGD-ZWKOTPCHSA-N 420.558 1.166 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCCCO)C2CC2)o1 1750383440 ULINLCSDJRWLAE-AWEZNQCLSA-N 419.507 1.434 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1760180980 NWGOTHLNDAWABM-FXAWDEMLSA-N 424.567 1.601 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1760290970 WDIUOUPKKHZMSC-BDTNDASRSA-N 415.538 1.789 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760313330 MDYIGXHIOMNPDS-HZPDHXFCSA-N 416.526 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCn1cccn1 1760313997 SFDKWLYZCXFBLB-SJORKVTESA-N 401.515 1.730 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCSC2)C1 1760533042 AOXOXASVQTUANK-HNAYVOBHSA-N 407.540 1.163 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)C1 1761546454 WWKQTQRNFAYAAS-DYESRHJHSA-N 416.526 1.726 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(C(N)=O)CCOCC2)cs1 1762263538 YGHVFCXBXWWPCK-CYBMUJFWSA-N 417.539 1.512 30 10 HDEE C[C@H]1C[C@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1762767010 GZGAUNHQAYOZFL-GRDNDAEWSA-N 400.508 1.868 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1764680283 JSFXQRSVEYNYKY-NRFANRHFSA-N 423.477 1.326 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1OCCOC 1766312177 UEVJGPMCXWBVOV-LJQANCHMSA-N 404.446 1.725 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1770157879 VVIMSIZVASZPJX-SFHVURJKSA-N 410.478 1.291 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)CC1 1770743857 BXUAYUNNYBYJRY-IRXDYDNUSA-N 402.499 1.555 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)CC1 1771536483 UWBMRPSZCKYUMR-QGZVFWFLSA-N 402.499 1.336 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2nncn2C)CC1 1772554943 XRBUCRFDLFNSCR-FQEVSTJZSA-N 401.515 1.898 30 10 HDEE N#Cc1c(NC(=O)CN2CC[C@@H](N3CCNC(=O)C3)C2)sc2c1CCCCC2 1849864153 JVGBWSWSLOXHAG-CQSZACIVSA-N 401.536 1.333 30 10 HDEE N#CCCN(C(=O)C1CCN(S(N)(=O)=O)CC1)c1cccc(Br)c1 1849872711 CEUVAALRPXIHPV-UHFFFAOYSA-N 415.313 1.611 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(-c2ccc(Br)cc2)[nH]n1 1850691067 IAPDJYPBBFRCCG-UHFFFAOYSA-N 403.280 1.905 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)c1ncn2c1CO[C@H](c1ccc(Cl)cc1)C2 1850815003 ZUJARZOMMZYHIR-INIZCTEOSA-N 407.879 1.586 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1850875603 WIMRNTQWLLZXJC-MRXNPFEDSA-N 415.556 1.556 30 10 HDEE COc1c2ccc(C(=O)N3CCN(Cc4ccc(C#N)s4)CC3=O)cc2nn1C 1853700423 SPBAJAOALGMGQP-UHFFFAOYSA-N 409.471 2.000 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccnc(OCC)c2)C1=O 1854114116 SEVFKAZKCBDVTA-MSOLQXFVSA-N 414.506 1.720 30 10 HDEE Cc1cccc(CN2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)c1 1854247351 YJHDOTRMCDDSQR-NRFANRHFSA-N 403.486 1.821 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@H]1C 1854311022 BCDOVXVHFJPWFP-QZTJIDSGSA-N 419.547 1.641 30 10 HDEE C=C(C)CN1CCN(C(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)C(=O)[C@H]1C 1854700094 FJXSTGITPVZDQS-OAHLLOKOSA-N 414.510 1.374 30 10 HDEE Cn1cncc1C(=O)N1CCCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854745891 GSQYBBWWLDENQY-KRWDZBQOSA-N 407.478 1.030 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855776638 ZLGWAALPZKMZTA-QGZVFWFLSA-N 404.492 1.482 30 10 HDEE CC(C)(C)c1ocnc1C(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857104273 QVEIOGMBHWHCCC-OAHLLOKOSA-N 409.446 1.743 30 10 HDEE Cc1cc(C)n(CCC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)c(=O)n1 1857198525 LBLJHSGRPWWEII-QZTJIDSGSA-N 411.506 1.251 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cn3ccc(C)cc3n2)C1)[C@H]1CCN(C)C1=O 1857252942 OHDOPXNDVLZXMV-AEFFLSMTSA-N 409.490 1.350 30 10 HDEE NC(=O)C1CCN([C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860608161 NGVSJNKHUUXSIM-FQEVSTJZSA-N 401.507 1.459 30 10 HDEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCCNC=O)C1=O 1863429732 KTQFBOZANQUTIK-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(C)(C)C)cc1 1865722568 UYYWYNLPKRQXOG-HNNXBMFYSA-N 424.501 1.378 30 10 HDEE C=CCNC1=C(c2ccc(-n3cccc3)cc2)C(=O)N(CCN2CCOCC2)C1=O 1873037352 MHPPUGHJZNPPSP-UHFFFAOYSA-N 406.486 1.665 30 10 HDEE CN(CC1CCN(C(=O)[C@H]2CSC(C)(C)C(=O)N2)CC1)c1ncccc1C#N 1891036815 RFTCFTMTDDCBDA-MRXNPFEDSA-N 401.536 1.638 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2)c1 1891178974 UINJCFPMWPVTAQ-KRWDZBQOSA-N 408.462 1.511 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 1982298531 WEAXHQOKMGJHRO-LBPRGKRZSA-N 412.350 1.366 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1ncnc2c1nc(Br)n2C 2105839120 XLRSHWBQKIEODH-UHFFFAOYSA-N 411.079 1.776 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)N3CCC[C@@H](C#N)C3)C2)C1 2182736673 XPQYHDZMMFWFKP-ZDUSSCGKSA-N 418.541 1.185 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2195307150 OVXUQXZWWJOFAU-YNEHKIRRSA-N 404.529 1.926 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 2247857133 QZKUUYNBFQDEBS-INIZCTEOSA-N 411.315 1.119 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CNC(=O)OC(C)(C)C 2247918886 RKUZWEHNINCGSQ-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE C[C@@H](CO)CN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356857 PBUNPQVIMCMMML-SNVBAGLBSA-N 409.766 1.950 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CCCN3)cc2Cl)OC1(C)C 2267703173 RVYMJYINTDYENM-JTQLQIEISA-N 406.766 1.731 30 10 HDEE C#Cc1ccccc1CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270518701 KAQAZXVNUVUIBL-SFHVURJKSA-N 416.455 1.467 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](N)[C@@H](CO)C3)c2Cl)OC1(C)C 2281936547 OHEIYEJEQYLRNB-ZYHUDNBSSA-N 400.737 1.482 30 10 HDEE Cn1nc(C(=O)NCC2CCC3(CC2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2281962236 WRKWMDVGFJSLFQ-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CC[C@H](N)C3)s2)OC1(C)C 2282329186 JHDVBSVGARRHSW-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331537 OVJLFRHIKKKZHR-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE Cn1ncc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)c1Cl 2282334236 YYTMTSSVSRPOJZ-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(F)CCOCC2)OC1(C)C 2282337938 NVZYSHOZQGUKEZ-UHFFFAOYSA-N 405.322 1.844 30 10 HDEE COCC1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282504514 PZQOOFPHYLBNMY-UHFFFAOYSA-N 401.359 1.893 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2csc(O)n2)OC1(C)C 2282506943 ZQAFNHYMEAICGM-UHFFFAOYSA-N 416.355 1.829 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(C)(N)CC1 2282831589 BACLIVZHCRXBCD-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CC1(CO)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282835432 UUMSVYCEEYNWPM-UHFFFAOYSA-N 401.721 1.642 30 10 HDEE C[C@H]1NCCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842659 AZAXUFUBOKMGLG-TZMCWYRMSA-N 400.375 1.607 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282843286 LBVONVYHQPSFJO-VXGBXAGGSA-N 418.415 1.337 30 10 HDEE CC1(C)[C@H](O)C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849796 GZOPRNHVHQJDDT-WCQYABFASA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CC(F)(F)CN2)OC1(C)C 2282855771 JBNKINKTXCGRMI-SNVBAGLBSA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCC(C4OCCO4)CC3)c(O)c2)OC1(C)C 2282873230 IODXKSOWVGLCNI-UHFFFAOYSA-N 403.284 1.917 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C=CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284409922 OYHRHHNVHUVBCU-NSHDSACASA-N 401.315 1.663 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2286311478 FNPSYFHVGILSCU-SFHVURJKSA-N 403.545 1.599 30 10 HDEE O=C(C=Cc1ccc(F)c(Br)c1)C(=O)NCCN1C(=O)CSC1=O 2325714246 ATOBGYQGPKUAJS-UHFFFAOYSA-N 415.240 1.982 30 10 HDEE COc1ccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 2329013154 MPLOWIWYORFAIG-CQSZACIVSA-N 416.507 1.471 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1O 2329035267 XGQMVTMLOGGSGA-CQSZACIVSA-N 417.491 1.855 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2329056118 ROGQFXRUKYHPJL-CQSZACIVSA-N 418.479 1.877 30 10 HDEE COCc1nnc(SCC(=O)OC)n1N=Cc1cc(OC)c(OC)cc1OC 2331589852 ZZYRTDBKKQZVBO-UHFFFAOYSA-N 410.452 1.598 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2sccc2I)CCC1 2342098053 RFPIQCABEZWQMQ-JTQLQIEISA-N 410.302 1.828 30 10 HDEE CC(=O)N[C@@H](CS)C(=O)Nc1cc(F)c(F)cc1I 2351720148 NTSRCZXVDHJAMV-JTQLQIEISA-N 400.188 1.942 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365196188 JTBUYNBUSZKWMD-LIRRHRJNSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCCC2 2365202847 GNGVPAPKUSSRFD-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE C[C@@H]1CC[C@H]([C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367791988 KVXFHNSOGUUFJZ-QXSJWSMHSA-N 401.525 1.779 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367795964 OMJMDPKEVYSUSF-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)COC[C@@H](C)NC(=O)OC(C)(C)C 2367797819 XERDCVKEAWEVMF-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367815640 FOACNFXAOLWPGI-ZJIFWQFVSA-N 400.541 1.339 30 10 HDEE C=CCn1/c(=N\C(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc([N+](=O)[O-])ccc21 13789627 BFMMYJIVZGHTIT-ISLYRVAYSA-N 424.504 1.896 30 10 HDEE CC[C@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294934 CWVHIQLETFBXBL-SFHVURJKSA-N 404.536 1.656 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2ccc3c(c2)OCCO3)CC1 70896945 NITZIWHCUWVDGZ-UHFFFAOYSA-N 421.457 1.696 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(C#N)n3)CC2)c1 302724294 MWJISRVPNVSDMO-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE CCOc1cc2c(cc1[C@@H]1C[C@@H]1NS(=O)(=O)N1CCO[C@@H](C#N)C1)O[C@H](C)C2 410125340 OFEFHZHYBNHWOI-DYWXZXKOSA-N 407.492 1.323 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426374754 YJQHNNPUHYUUJH-IBGZPJMESA-N 410.478 1.251 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(OC)c(OC)c1 443330516 NQKIOUAOSQMLEU-UHFFFAOYSA-N 403.435 1.875 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCC(=O)c3cccn32)CC1 468245435 OMWUIEIIPIFAOE-QGZVFWFLSA-N 412.471 1.410 30 10 HDEE COc1ccccc1C(=O)NCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 473946367 STCKJRRSJCWPKQ-KRWDZBQOSA-N 424.482 1.837 30 10 HDEE CN(C)c1nccc(N2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 490037581 IBXJBNFEJPKESY-LJQANCHMSA-N 405.506 1.732 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C#N 497892002 WZDHTIOCRIWVIM-AEFFLSMTSA-N 412.515 1.994 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCOc2c(Br)cccc21 499703784 GGTMORBCBHVRRC-AWEZNQCLSA-N 418.313 1.969 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCCOc2ccc(C#N)cc2)[C@@H](C)O)cc1 500669285 VIHYEBBXKYNNCK-DNVCBOLYSA-N 417.487 1.090 30 10 HDEE N#Cc1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 501404926 HKHGNPTYFSOOMC-AWEZNQCLSA-N 412.899 1.870 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)c1cccs1 503667038 PIDHWGQXOPYXJO-MRXNPFEDSA-N 401.510 1.404 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccc(C#N)c2)C1 503981795 OHDVDCGXEIRVNO-QGZVFWFLSA-N 402.476 1.880 30 10 HDEE Cc1cccn2c(=O)c(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc12 505668992 MIUYFONPSLWEJG-GOSISDBHSA-N 401.426 1.800 30 10 HDEE CCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2c(C)cnn2C)c1=O 505684165 NMOQJKMIEDETBR-UHFFFAOYSA-N 422.510 1.756 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(F)(F)F)C1 508498901 WDEPERFCLSATJE-OLZOCXBDSA-N 423.461 1.576 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnc(C)s1 508917885 CNWSSZSNLQXGFW-CQSZACIVSA-N 412.541 1.198 30 10 HDEE Cc1nnc(COCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)s1 509085539 RFNRLGLPDGFMSW-CQSZACIVSA-N 403.489 1.775 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CS[C@H](C)c2nc3ccccc3[nH]2)CC1 531310477 AIBNWSUCXOIAMY-OAHLLOKOSA-N 401.536 1.804 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCc3nnc4ccccn34)n2)c(Cl)c1 543937859 JOOGKDRMIZXMMS-UHFFFAOYSA-N 420.820 1.695 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C(N)=O)C3)n2Cc2ccccc2)cc1 555146258 FKAOCLAJSQHWHR-IBGZPJMESA-N 418.457 1.468 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccs2)CC1 555433441 ZXGUVRXISXWONV-MRXNPFEDSA-N 416.551 1.316 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 557721927 LKGMKSQXWHQSBU-XKQJLSEDSA-N 402.882 1.869 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc([C@H]2Cc3ccccc3O2)n1C 558444431 HKQOYSIIUVYVDF-KBXCAEBGSA-N 402.462 1.868 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCCN(c2nc(CC)ns2)CC1 567282765 KICHQWZUSZRWND-CQSZACIVSA-N 405.528 1.683 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)NC[C@H]3CCCO3)c2C#N)C1 586299283 LHQVZGTWRWRGLO-JUCITSJASA-N 423.560 1.727 30 10 HDEE COc1ccc(C=NN=C2NC(=O)[C@H](CC(=O)NC[C@H]3CCCO3)S2)cc1OC 606348093 KWOVBEPHQZEPFK-CJNGLKHVSA-N 420.491 1.311 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(O)Cc4ccccc4C3)C2=O)cc1 610001120 OYVLKMVLACOCEW-IBGZPJMESA-N 418.453 1.409 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 619421479 PAEQRQHSWTVDOC-MRXNPFEDSA-N 412.943 1.767 30 10 HDEE O[C-](O)C1CCN([C-](O)C2=C=C3CO[C@H]([C-]4C#CC(Cl)=C=C4Cl)CN3N2)CC1 642813320 KGOIUBZGYPGEHA-KRWDZBQOSA-N 423.276 1.816 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 670221461 ITQXWGBDOGPVFF-GOSISDBHSA-N 424.505 1.948 30 10 HDEE COc1cccc([C@H](CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)N(C)C)c1 732439022 DCZLQEKABLNUKU-RUNIHZNKSA-N 401.467 1.124 30 10 HDEE N#C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 732648108 NCJLEFVPVNYIDW-HNNXBMFYSA-N 408.549 1.735 30 10 HDEE CN(CCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 732649125 BGWLUZIRBQDYRF-QGZVFWFLSA-N 408.499 1.425 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CCN1C1CC1 732650568 XKPADDWPGKPODF-MRXNPFEDSA-N 404.426 1.888 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)Cc1cccc(OC)c1)CC2 733674640 NBECAVIKZHRHNC-UHFFFAOYSA-N 405.454 1.905 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1nn(-c2ccc(F)cc2)ccc1=O 734293444 VYIOJCLGOJERFO-UHFFFAOYSA-N 412.402 1.670 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1)c1ccc(C#N)cc1 740211093 LZPLOMJCVRDGSJ-HNNXBMFYSA-N 408.819 1.930 30 10 HDEE Cn1cc(-c2csc(=Nc3ccccc3C#N)n2CCCNS(C)(=O)=O)cn1 741156207 UTAKSPLMUYKKCJ-UHFFFAOYSA-N 416.532 1.993 30 10 HDEE COc1ccc(COC(=O)c2cc(OC)c(OCC(N)=O)c(OC)c2)cc1C#N 746976840 ZYCJQNHFDRVMSV-UHFFFAOYSA-N 400.387 1.805 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752157370 MRIXSUDKEJRCCF-CYBMUJFWSA-N 421.500 1.417 30 10 HDEE Cc1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c(=O)[nH]c1C 758003158 LWWVPVHYIDCJQK-PXLXIMEGSA-N 403.464 1.452 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 768613567 FAZCAEFOLSKGRA-ZDUSSCGKSA-N 405.417 1.916 30 10 HDEE Cc1cc(C[C@H](C)NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 769324722 DZFYMXSXOUMMNP-SUMWQHHRSA-N 417.535 1.919 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O)[C@H]1CCS(=O)(=O)C1 774208981 FDGNKOURUAELAA-ZFWWWQNUSA-N 409.895 1.277 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccccc1O[C@H](C)C#N 780672081 ZBYXHGSHIMGOPS-RGTXSCMUSA-N 401.419 1.934 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2=O)cc1 781047547 CJDLHGVABWHZEC-QBNCKDSPSA-N 407.430 1.086 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)N1CCN(c2nc(C)cc(C)n2)CC1 783354397 BKERQJGIXYJQEO-UHFFFAOYSA-N 411.437 1.532 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2C[C@H](O)CC(F)(F)C2)c1 787403272 PWKPCSYKMPIHNP-IKGJXOFFSA-N 416.450 1.733 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)n1 788569959 BLXXQHXXUZRPLS-UHFFFAOYSA-N 413.478 1.664 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)n1 788860370 RQIIVSQPNYNDNG-UHFFFAOYSA-N 413.478 1.572 30 10 HDEE CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798746503 VLBFISVOHJTXDH-HNNXBMFYSA-N 412.450 1.440 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)c1ccnc2c1nnn2C 801496723 DVCCIHBOMRILKV-CYBMUJFWSA-N 408.418 1.864 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1CC(c1ccnn1C)C2)c1cc[nH]n1 802320371 BSSWWHRBLIWBMG-GJZGRUSLSA-N 414.466 1.364 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)c1ccc(F)cc1 812937349 YKZYBIKILMXYOT-ZWKOTPCHSA-N 411.499 1.582 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNC(=S)NCCc1ccc(Cl)cc1 814760017 WUADKKQAEXWKMS-UHFFFAOYSA-N 414.944 1.232 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3ccc(F)c(Cl)c3)cnc21 916937778 GFUQGATZHUCUNM-JTQLQIEISA-N 402.773 1.270 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC#N)CCC(=O)OC)ccc1OC 1132668647 ZJLLXRIVNINCEW-UHFFFAOYSA-N 411.480 1.255 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1136563741 JFWPYAODNGTXIQ-FLIBITNWSA-N 409.461 1.869 30 10 HDEE COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1137848812 SIQCMGPDAXSFQE-KXBFYZLASA-N 407.492 1.649 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1ccccc1)C[C@@H]1CCCO1)c1cc[nH]n1 1142263172 DTCWCRHSSJFJES-KRWDZBQOSA-N 414.462 1.901 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)/C=C/C(=O)c2ccc(C)cc2)C1 1142905253 YYACRAYBOXWRKP-IENJSVCTSA-N 400.475 1.994 30 10 HDEE CC1(C)NC(=O)N(CCCC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1144281357 OVSWSOCBDLIUKG-UHFFFAOYSA-N 411.506 1.749 30 10 HDEE N#Cc1csc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 1157492715 JAIJJZHLEHYPSB-AWEZNQCLSA-N 406.489 1.402 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)[C@H](CO)C1 1158819893 WSESVEOBWIXLGC-GOEBONIOSA-N 406.508 1.536 30 10 HDEE CCCCN(O)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1161827240 YWIPWZCCDRPIFZ-UHFFFAOYSA-N 411.480 1.787 30 10 HDEE CCN1CCC(N2CCCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)CC1 1162184626 AXGNAEKQRMBSDB-UHFFFAOYSA-N 421.549 1.958 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@]1(O)CCCOC1 1164441211 UHAOOLHFYCLNET-HXUWFJFHSA-N 423.535 1.333 30 10 HDEE C=CCC1(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCOCC1 1165727956 KFFBCJSVQQSAPL-KRWDZBQOSA-N 408.520 1.999 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1 1180235908 ZTXRYOZOSFWOHI-QGZVFWFLSA-N 405.520 1.461 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1185754440 VGJCYEKTIMMXOR-GJZGRUSLSA-N 422.569 1.391 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 1191212213 WMZCEWUHQGASBF-ZETCQYMHSA-N 421.656 1.972 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC2CN(S(=O)(=O)N(C)C)C2)cc1 1199058401 ADSVYPCIUXSIGV-UHFFFAOYSA-N 421.523 1.113 30 10 HDEE C#CCN(C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 1221561356 HZYOBZPAHANERA-UHFFFAOYSA-N 407.559 1.278 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC3CCC(O)(c4ccccc4)CC3)C2)c(=O)nc1O 1225750768 YVDXVOLWCUFWEC-UHFFFAOYSA-N 409.446 1.217 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)C1 1254630373 MVFFVFRWEKUEGY-UXHICEINSA-N 400.523 1.870 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1275549696 SFEWDLKQOOOIFZ-SFHVURJKSA-N 404.488 1.151 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1286279023 IUUFPOUBBCYKMM-HZPDHXFCSA-N 418.567 1.603 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1286395479 RJMFQOQFHFHBNE-SFHVURJKSA-N 416.551 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCN1CCCO 1286427500 AYVJHEASNBSSSQ-OAQYLSRUSA-N 406.534 1.574 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286556441 PISHUWJUIUPNAF-MTNOOBJLSA-N 403.527 1.855 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)NC2CC2)CC1 1286663658 OLTZXLUNQMEDMT-MRXNPFEDSA-N 421.567 1.641 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2 1286670431 FVFOCMRYDIMQSV-OAHLLOKOSA-N 400.527 1.938 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1286674221 BLIROEHUCIFBMV-OAQYLSRUSA-N 400.527 1.719 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1286714118 LBLGAIKFNOXUPF-KRWDZBQOSA-N 416.526 1.194 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1 1286790579 GQJFJNOVKYIHCH-OAHLLOKOSA-N 420.514 1.487 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC)C1 1286818957 UXBGYCRXCMJNQX-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1286954653 HDNUCVJLMQFKRQ-BRWVUGGUSA-N 404.515 1.452 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1COCCO1 1287026738 DAIQZZZOCYAPRF-INIZCTEOSA-N 412.494 1.817 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)CCO1 1288352367 CIXADIRWJLHZKT-GOSISDBHSA-N 412.494 1.535 30 10 HDEE C[C@@H](Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1288630002 DFOXDNRZKLZYHG-LHSJRXKWSA-N 424.484 1.584 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1300303778 JXLLEYKLUGOUKD-HUUCEWRRSA-N 408.462 1.065 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC)CC1 1300725672 BQYPVDFCKVXZOU-UHFFFAOYSA-N 405.506 1.892 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCOC1 1300849664 RYYAXZDMCSJYOW-RYUDHWBXSA-N 405.318 1.314 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@]1(OCC)CCOC1 1301055137 FIXKXTTVHNXOSW-PBHICJAKSA-N 420.963 1.942 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1301124386 HKGAJDLKFGXSJG-ROUUACIJSA-N 424.567 1.778 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1301218907 DFYLIIXMRVPRME-HZPDHXFCSA-N 406.504 1.085 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C1OCCO1 1301297714 TXTAHGQIATVHIY-INIZCTEOSA-N 418.519 1.896 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C[C@@H](C)O1 1301371925 DBLHHKVJJLQRQD-OLMNPRSZSA-N 410.478 1.335 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1301372366 KZNLXWSLKQKFQF-LEWJYISDSA-N 403.527 1.975 30 10 HDEE COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1301835042 KCXBRGFTVCYSOF-HOTGVXAUSA-N 412.498 1.195 30 10 HDEE CC(=O)NCCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301936223 BDGHFMGJMSQGPS-RBUKOAKNSA-N 408.478 1.287 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnn(C)c1C 1302287438 VEYWFGAFQWZYEY-QOKNQOGYSA-N 403.462 1.534 30 10 HDEE CC(C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1302466811 DMAXIFAFEYMBKU-QGZVFWFLSA-N 409.494 1.509 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCNc2ccccn2)CCO1 1303005086 WSIFBSSAZZDDHV-SFHVURJKSA-N 404.478 1.890 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OC)c(C#N)c2)s1 1303060341 LTUQMSSNEDYHMH-UHFFFAOYSA-N 405.501 1.952 30 10 HDEE Cc1ccc(C(=O)N[C@H]2Cc3cnccc3NC2=O)cc1B1OC(C)(C)C(C)(C)O1 1303213065 FRYHFWZBVCVHTL-SFHVURJKSA-N 407.279 1.982 30 10 HDEE CCCCC[C@@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1307378766 NDFWOANOYHVFGB-CQSZACIVSA-N 406.483 1.308 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(CC(=O)OC)c(F)c2)c1 1309081630 OMNHMLWFFKYNCL-UHFFFAOYSA-N 404.419 1.440 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1309512661 OOPCDISLQGJBTC-NEPJUHHUSA-N 407.261 1.699 30 10 HDEE CN(C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)C1CCCCC1 1314619339 DTWPNEASLITPGO-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@H]4NC(=O)CC[C@@H]4C3)n2CCCCCO)cc1 1316534055 NBYCFOKCVVQRLC-IEBWSBKVSA-N 424.505 1.606 30 10 HDEE COC(=O)[C@H](Sc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1329708324 CFTJDBQNJJKYDS-ZIAGYGMSSA-N 406.489 1.595 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H]2[C@@H](C)CC(=O)C[C@H]2C(=O)N2CC[C@@H](OCC=C)C2)C1 1344129043 GRCSHTKSVYLYTH-OSTWSGHESA-N 418.534 1.825 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCOCCS(C)(=O)=O 1358877200 YSKKIFFTGAAXEM-HNNXBMFYSA-N 406.508 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Br)cc2)n1Cc1nnn(C)n1 1358877387 CYZICVJNLRMAOV-NSHDSACASA-N 401.272 1.737 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1358890280 NHTWQJUDCAKLBY-CVEARBPZSA-N 411.572 1.895 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1358905220 VQHNFTLRDBOKBF-HLLBOEOZSA-N 409.556 1.696 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1358930614 ZCAXKYMBYDXMGT-DLBZAZTESA-N 419.551 1.185 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CC(F)(F)F 1358984484 XUMMWBUIEGRMKX-HOTGVXAUSA-N 413.444 1.569 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(O)CCO[C@H]1C 1359026365 VQXUZAVHTQYXQM-HTAPYJJXSA-N 424.505 1.143 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1359070071 DPEZXZSOHHKVTB-YLJYHZDGSA-N 416.551 1.768 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359291990 GGBZDHWLNQKSAT-RBUKOAKNSA-N 417.602 1.699 30 10 HDEE CS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)o1 1440745727 LTXQQKDBJXBHGU-GQCTYLIASA-N 416.459 1.782 30 10 HDEE COc1cc(CCO)ccc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1448690629 SJDAKGAKILTVRH-UHFFFAOYSA-N 417.487 1.687 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCOCC1 1461710716 JNJBJJASNTZYAS-GOSISDBHSA-N 415.515 1.392 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1 1464144965 IOKDCLVZFBNOGW-UHFFFAOYSA-N 403.545 1.534 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)N2CCCCC2)C1 1464808739 FFVBKLUSHBIPPW-UHFFFAOYSA-N 405.296 1.886 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)NCCN1CCOCC1 1464834292 JOVSTBASHUVGEM-MAUKXSAKSA-N 422.476 1.629 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)CC(=O)OC(C)(C)C)c1 1464995783 JMUZKKLMVLQJOI-UHFFFAOYSA-N 412.508 1.581 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1465333893 QTMVIEFPXYEMAO-NMWGTECJSA-N 417.535 1.719 30 10 HDEE CC#CC[C@H](CO)NC(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 1469815735 VOVUTIKDAFBEEA-OAHLLOKOSA-N 400.479 1.952 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1 1471056195 FLJUGQRLDGDBMM-RTBURBONSA-N 402.472 1.415 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1471938277 HWDFJSOWTRXTSK-CQSZACIVSA-N 408.480 1.253 30 10 HDEE C=CCNC(=O)CNC(=O)NC[C@]1(C(F)(F)F)CCCN1C(=O)OC(C)(C)C 1479381391 LASKEUXZGPGCOG-INIZCTEOSA-N 408.421 1.920 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1507528942 PPHWQSWLNZBREZ-HUUCEWRRSA-N 420.539 1.358 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507591396 KEHYYLRPARXISO-QGZVFWFLSA-N 409.556 1.841 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1507631140 BNMLIMWLUWCZQZ-IKGGRYGDSA-N 424.592 1.694 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1508088014 RBAXIKSUBDVHNJ-HTAPYJJXSA-N 424.505 1.283 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2nccs2)C1 1508091801 WOUCINZCXNLYEV-GJZGRUSLSA-N 418.523 1.509 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1509175900 VIWPRJZEDCAYQC-BMINWGARSA-N 401.446 1.445 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCC1=O 1509636809 CNPYQOWPQKPNJY-LJQANCHMSA-N 405.478 1.261 30 10 HDEE C[C@@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1510357050 RQGSNMGHUPXOGV-FXAWDEMLSA-N 417.441 1.530 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1C 1517701443 GUCSPGJQYLVTAX-HNNXBMFYSA-N 421.465 1.385 30 10 HDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1518691150 LDTGKWPKIDSOKV-OAHLLOKOSA-N 405.524 1.970 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1520652890 GOHRLTUVDMSJAS-VQIMIIECSA-N 424.505 1.537 30 10 HDEE Cc1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)ncc1C(N)=O 1525818703 CKTYLYLNPNZIGE-HAVVHWLPSA-N 415.475 1.554 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2ccsc2C#N)CC1 1528610217 YKTROYLCTMSEKI-UHFFFAOYSA-N 405.524 1.078 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(OC(F)(F)F)c(C#N)c3)cc2S1(=O)=O 1530344435 GRPSYZKSYIZODD-UHFFFAOYSA-N 415.353 1.540 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1538385902 WPCFDWCGUNKXFK-UHFFFAOYSA-N 401.385 1.778 30 10 HDEE C=CCn1cc(C(=O)NCCCNC(=O)c2cc(OC)ccc2Br)nn1 1538487406 VCTLSIIBKMXLMM-UHFFFAOYSA-N 422.283 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1539012059 DZQQWRRBRLKORZ-WBVHZDCISA-N 417.535 1.870 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1539066159 PTELYVZCLBZINJ-QGZVFWFLSA-N 400.527 1.774 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1539201131 WSPPOZOYPKRRAW-MDOVXXIYSA-N 405.499 1.270 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1539203560 SBJFKTUSUHTMNI-INIZCTEOSA-N 403.508 1.480 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC 1539239110 HPBJCVBMLUCOJM-HNNXBMFYSA-N 401.492 1.018 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1539403133 OMWXNAGPVQZKSJ-HXUWFJFHSA-N 403.914 1.751 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC(=O)N(C)C)CC1 1539462924 PXOLJYDLBRIPBY-SJLPKXTDSA-N 402.543 1.040 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2c(CC)nn(C)c2CC)CC1 1539481606 BTOISOHNMQBBHU-UHFFFAOYSA-N 411.554 1.713 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539492002 YVIFFAVLGGYEJC-INIZCTEOSA-N 404.584 1.557 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNC(=O)C(C)C 1539612096 ILYRSNZOXWHWKU-DLBZAZTESA-N 420.558 1.606 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540195957 LEAKLXQPSZCKFW-HNNXBMFYSA-N 408.528 1.194 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CCSCC1 1540375790 FUGMHOUEPIJZFD-UHFFFAOYSA-N 424.504 1.465 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](OC)C1 1540869352 KAAWEJYHCDALQS-CQSZACIVSA-N 423.477 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N(C)[C@H]1CCOC1 1540907508 YUZVOLNYLPPAKF-SFHVURJKSA-N 404.536 1.889 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1541815049 BJTFYLUHINKMNP-HNNXBMFYSA-N 412.494 1.855 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1 1543633460 ZEJHJERZYYBCEC-AWEZNQCLSA-N 412.309 1.450 30 10 HDEE COCC[C@@](C)(C#N)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1544123380 ZGPYWFXNSIKVOW-SFHVURJKSA-N 421.295 1.955 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N(CC#N)CCC(=O)OC)c1 1544786385 MUWAKFCPULOOOK-UHFFFAOYSA-N 415.899 1.899 30 10 HDEE C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1544869951 JVKQNQLHMZVOFY-HMWBCQRISA-N 400.483 1.687 30 10 HDEE CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C(C)(C)C1=O 1545471337 BKWJVHCZWSVZPW-DBWCEAHUSA-N 404.511 1.852 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)n1 1554940734 GJXSAXHILPRFLO-HOTGVXAUSA-N 414.466 1.361 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)C2)nc1 1558465934 RWJPASVIAHWCQM-OALUTQOASA-N 423.473 1.643 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3CCCOC3)CC2)cc1 1565125989 BCOHUQGNQHWMKZ-KRWDZBQOSA-N 406.508 1.391 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCO)cc1 1568679765 DJYJVURLWAOUTC-QGZVFWFLSA-N 424.519 1.376 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)c2cccc(C#N)c2Br)[C@@H](C(=O)OC)C1 1583241574 RVQKOMJGMQKSTJ-ZWNOBZJWSA-N 409.236 1.888 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1[nH]c2ccccc2c1C#N 1584769100 QAYSBDPFGLUHSV-OAQYLSRUSA-N 414.462 1.768 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Nc2nc(C)cc(C)c2C#N)C1=O 1587096654 RIQIXVGQJQVDRZ-OAQYLSRUSA-N 407.430 1.984 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2cnnn2C)c1 1587696764 AMERHLSRTAFEPM-UHFFFAOYSA-N 404.478 1.464 30 10 HDEE C#CCCCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793082 GIOLFYPAOJJZOU-NHCUHLMSSA-N 403.527 1.824 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1F 1587909779 SUJQUJDHOQKNPX-HNNXBMFYSA-N 422.530 1.623 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC1CCOCC1 1587945877 SKWSPAUBLXSDOY-UHFFFAOYSA-N 422.493 1.576 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(C)c1 1588158911 LPAGSXUGMWKGOI-UHFFFAOYSA-N 418.501 1.212 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCCCC1 1588637244 BWNQYOXYUUAJMB-QGZVFWFLSA-N 403.527 1.912 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1588637497 GUWNWQWGFDYNIM-OAHLLOKOSA-N 407.540 1.227 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN(CC)CC)CC1 1588733106 NKGNLPUNANOLMU-UHFFFAOYSA-N 401.559 1.001 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)CCC)CC1 1588876561 CNCYCDPKCDYINV-WFXMLNOXSA-N 405.543 1.308 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCCN(CC)S(C)(=O)=O 1589215599 BRHAIUCWVNIWAF-FXAWDEMLSA-N 423.583 1.836 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1594681000 XNYORNJRFWIGFY-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCN(C(C)=O)CC2)C1 1595715293 UYYPXRDUYGUHBE-LJQANCHMSA-N 413.526 1.718 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1595896386 YLVXAKQNNDYGLW-HNNXBMFYSA-N 404.540 1.623 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1597053833 UTKLANVSCRNUHM-FQEVSTJZSA-N 416.543 1.827 30 10 HDEE COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 1597518057 HKWKQCUKBUZOBQ-UHFFFAOYSA-N 419.434 1.979 30 10 HDEE COC[C@@H](NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1597546080 CXOSYHWAPJKGQJ-SJORKVTESA-N 417.462 1.697 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1=O 1597705317 QQAMJNTVASVVBD-GAJHUEQPSA-N 418.453 1.617 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)C1=O 1618464736 WENORQKPBJZIPE-QFIPXVFZSA-N 424.505 1.822 30 10 HDEE CO[C@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1618918973 AJABHHCEJUEFJB-MDASCCDHSA-N 424.571 1.833 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H]1F 1620309301 YYZLZZSYSAUYIL-OLMNPRSZSA-N 401.442 1.938 30 10 HDEE Cc1cc(NC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)c(C#N)cc1N(C)C 1625391410 BVXMOHSBLQBLHP-LJQANCHMSA-N 414.554 1.851 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCNc3ncccn3)C2)C1 1628298818 KFOMBHPXPJTXIV-RDYUPDBUSA-N 400.483 1.792 30 10 HDEE Cc1ccc(C(=O)NCCS(=O)(=O)NC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 1629870058 HDCHBKLBNCGSQJ-UHFFFAOYSA-N 424.372 1.742 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2cc(F)c(C#N)c(F)c2)cc1 1630290882 DGTAPHQNUFPYQS-UHFFFAOYSA-N 409.414 1.691 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1630895454 CYATUBROBJNJPN-PKOBYXMFSA-N 420.391 1.413 30 10 HDEE COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1632799271 ONFYKQWKYYDAAD-YWZLYKJASA-N 421.519 1.743 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCCN2C=O)CC1 1633103713 DSUQHBPSLBIEPE-DLBZAZTESA-N 405.296 1.779 30 10 HDEE C#CC1(NC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 1633143719 GKQBHJQHXSWCMI-UHFFFAOYSA-N 417.531 1.362 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C1 1633662197 HEUKWNATYRUUNG-RWMBFGLXSA-N 406.405 1.125 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)CNS(=O)(=O)c1ccccc1N 1635217008 KSXLPIZNNIWQOF-UHFFFAOYSA-N 405.524 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)c3cccc(C#CCO)c3)C2)C1 1637873629 MHTOVHVMVIZJSX-JOCHJYFZSA-N 400.475 1.882 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)C2=O)cc1 1639973930 QCZOIUIBLJKENF-SFTDATJTSA-N 416.481 1.824 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc(S(N)(=O)=O)cc2F)C1 1640219168 QGNQWTXJPKJTRO-HNNXBMFYSA-N 402.451 1.696 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)cc1 1640953011 ARIUQODLOOHAFK-QFIPXVFZSA-N 418.490 1.967 30 10 HDEE C=CCCONC(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1641570202 ALYOGXAQOAIODO-OAHLLOKOSA-N 409.508 1.694 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OCC)[C@H](O)c1cccnc1)C(=O)OC(C)(C)C 1643499258 PPPKPXXUWKBKAA-IAGOWNOFSA-N 405.451 1.033 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(C[C@@H](O)CC3(C#N)CCOCC3)CCO2)cc1 1643948159 IHTWXEHXNXROQM-PKOBYXMFSA-N 408.520 1.535 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)OC 1644144806 AQLSTUHDCQPUSQ-NEPJUHHUSA-N 406.863 1.443 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC4(CCOCC4)CO3)CC2)cc1 1644910805 UUWGSHSVVWLGMZ-IBGZPJMESA-N 419.547 1.840 30 10 HDEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 1648148556 DUPCQYMMGSCIOE-MRXNPFEDSA-N 407.536 1.551 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)C2)nc1 1652331600 CAWMTVPXQPUBEX-MCIONIFRSA-N 416.425 1.579 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccccc2Br)c(=O)n1C1CC1 1656801426 GWCHSBDTLWHHOX-UHFFFAOYSA-N 403.236 1.926 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CCC[C@H](C(F)(F)F)O3)CC2)c1C#N 1675808959 NQSKNTCFWZAXEV-UKRRQHHQSA-N 414.432 1.932 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)C1 1676150076 MCYSSMXKKROIIT-QGZVFWFLSA-N 406.527 1.949 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CCN2C2CCOCC2)C1 1679944741 PUXQMANYLHBHFM-UAGQMJEPSA-N 407.515 1.298 30 10 HDEE Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N(C)C 1680958108 PNWBIAFUGXUGAB-JSFADZTLSA-N 404.536 1.566 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCO2)cn1 1681434443 OFOHSORKJWFRNO-PTSWNOGYSA-N 418.498 1.484 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1682122828 WHNMBEKCFZTVJF-MHMFGPJMSA-N 411.430 1.724 30 10 HDEE CCOc1ccc(C[C@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1682979386 FLVGESFFRQJSLJ-AWEZNQCLSA-N 411.462 1.664 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)C1 1684083150 PVLPLWUUBHSDJM-DLBZAZTESA-N 419.323 1.729 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CCO2)cc1 1686962767 PBMBIDJQVYGXEX-SFHVURJKSA-N 418.450 1.628 30 10 HDEE C#CCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1689941967 YTLUXNUFSJWDOX-UGKGYDQZSA-N 417.554 1.502 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1689964333 LIQYHBJBXQBWSA-UHFFFAOYSA-N 410.526 1.438 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)C(=O)NCC2 1690043226 UIPOVSMXUOMYDE-UHFFFAOYSA-N 411.469 1.532 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1690109300 MWLWXCTWYPNYKQ-RTBURBONSA-N 414.554 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cc(C)no2)CC1 1690141919 FLAIJFHKEHMYGD-UHFFFAOYSA-N 405.462 1.651 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1690646244 MEBYTLPHJVDTTA-QGZVFWFLSA-N 404.540 1.558 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690673333 SYAUGXHNTUJKFD-ZWKOTPCHSA-N 408.506 1.194 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690673706 AYQPPQZKMBXCHB-KKSFZXQISA-N 403.527 1.697 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC(CNC(C)=O)CC1 1690674352 XTXRKXGPLPUSAI-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1690674967 LVDIGXLYOYAZBP-KRWDZBQOSA-N 424.505 1.013 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1695438926 VVWHAJNUSYABNB-CVEARBPZSA-N 410.434 1.457 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1705537587 KPEXLUNHXPKXBH-FQEVSTJZSA-N 410.522 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1705572868 REWZBEJWDLBOMW-HTAPYJJXSA-N 420.473 1.336 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCS(=O)(=O)C1 1705588650 HWYIWLIYUQFONT-ZWKOTPCHSA-N 422.551 1.290 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1705595308 NQERUXNKFJBZNQ-UHFFFAOYSA-N 422.514 1.626 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCCCC1 1705630772 GGIRBTQIXXUUTJ-ROUUACIJSA-N 406.527 1.783 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709297586 WVVFQYDPAAMHHP-UFOSLELVSA-N 410.482 1.441 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1722337026 UCERVGFTWNTASG-INIZCTEOSA-N 405.462 1.928 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(CS(C)(=O)=O)c1 1722387503 GFPOHANHODKHST-LJQANCHMSA-N 412.515 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C)CC2)CC1 1722444250 VOLDLVGIDMMVMA-QFIPXVFZSA-N 415.538 1.696 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722451535 KWOFIVLLAAPDFE-KXBFYZLASA-N 423.539 1.399 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722727225 MWQLRBVBVBZCOS-UZLBHIALSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1722740543 PYYDDTJLJQFTAB-QRWLVFNGSA-N 421.567 1.923 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740555074 ZZVSBDNCWAOODN-CRAIPNDOSA-N 424.505 1.241 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cccnc1OC 1740608380 DWFAUKMRGZPCNZ-UHFFFAOYSA-N 415.457 1.713 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC=C 1740640529 PHMTXISVQJOCIL-LJQANCHMSA-N 424.526 1.866 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1740722844 GDXKFJSCJKPOKE-KGVIQGDOSA-N 416.570 1.908 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](C(N)=O)C1 1740738519 IRTLNVJWWSDVNB-OLZOCXBDSA-N 416.320 1.612 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740759185 ARLYVTBJNHNWRP-SZMVWBNQSA-N 423.583 1.997 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCCOC2)C1 1740950678 CQSIACHSRFCYCU-NRFANRHFSA-N 418.542 1.506 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1740958568 QQTMLDMNHRXQQU-JLTOFOAXSA-N 404.515 1.173 30 10 HDEE CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1745893713 AXKNAVIFALCMJQ-SFHVURJKSA-N 419.486 1.190 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1748319475 NCMMGYZATDUUKV-IRXDYDNUSA-N 422.489 1.731 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CC(=O)N1CCOCC1 1748901222 TTXKEYWWFBNHQR-UHFFFAOYSA-N 421.501 1.487 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749043954 MYIZQEFHIDIDQR-KRWDZBQOSA-N 411.535 1.186 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1749130982 PBPVVTSLWNLQFK-ZACQAIPSSA-N 412.556 1.982 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1749157888 AFSPYARTLJFVDN-OAHLLOKOSA-N 421.523 1.492 30 10 HDEE C=CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749408500 KLJGBPJCFWBTFE-DYESRHJHSA-N 421.542 1.626 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749459931 WDVSILQXNOYNRF-LSDHHAIUSA-N 405.455 1.107 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCN(CC)[C@H](C)C1 1749680479 LOPREZOZXSFSHX-GOSISDBHSA-N 412.538 1.998 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCSC2)C1 1749682899 CHIRZLXBIXOIQC-RIFZZMRRSA-N 421.567 1.638 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C[C@H]1OC 1750186297 FSFWSYFOZANYLO-HDICACEKSA-N 410.478 1.193 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1-n1cccn1)[C@@H]1CCS(=O)(=O)C1 1760181622 YMRQUZRVKAFNEO-GOSISDBHSA-N 410.503 1.447 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)(F)F 1760245846 MXXORYGDXFOBIF-UHFFFAOYSA-N 420.395 1.581 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760260010 UIBVRBIHGLAVPB-MRXNPFEDSA-N 412.469 1.315 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760520719 XRWUDOQESUAFIC-AWEZNQCLSA-N 416.457 1.663 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1760566109 LNTWTDMPDGUINZ-HNNXBMFYSA-N 410.569 1.469 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1760954852 BBOCFIUEQGAARR-LZICOFPGSA-N 422.493 1.744 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC2(O)CCOCC2)CCOC1 1765870096 CGFHGVHXCDMCAC-OAQYLSRUSA-N 419.526 1.602 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1768807113 FGIVPVWWHRSJND-RDJZCZTQSA-N 423.477 1.278 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C[C@H]1O 1769449565 PWSRYLXZZIWQBE-QZTJIDSGSA-N 413.478 1.340 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCOCC1 1770251090 GPTOBSIHMGKAEN-UHFFFAOYSA-N 400.483 1.839 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1770346912 KVZJYVAJQWUZPE-RBUKOAKNSA-N 413.478 1.878 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)C[C@H](C)O1 1770940289 FSHARXUUGHRBSS-MAUKXSAKSA-N 412.494 1.535 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1OCC[C@H]1C 1771111614 QESQLFIFWLONMQ-RHSMWYFYSA-N 416.482 1.797 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1771331919 FHXWEAHOEQCMAK-HXUWFJFHSA-N 410.522 1.889 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CC=CCO2)cc1 1771534798 OZJCALFNKRHLTA-GOSISDBHSA-N 408.462 1.400 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1771544258 OSJPVKALHHEIPN-KRWDZBQOSA-N 405.524 1.657 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C)CC1 1772566634 OSANBYWOHNJEOG-KRWDZBQOSA-N 423.521 1.166 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 1849720889 NEWNPCDBXWUDAO-UHFFFAOYSA-N 419.445 1.625 30 10 HDEE Cc1ccc(F)c(N2C[C@@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)c1 1850793611 BKWSBMQDRQQERM-LBPRGKRZSA-N 401.419 1.752 30 10 HDEE N#Cc1ccc(C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1F 1851160687 OGBJLBWYBBKESJ-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE Cc1nc(C(=O)NCC#CCN2CCOCC2)nn1-c1cc(Cl)ccc1Cl 1851351074 FHOKOBSIVVGNQF-UHFFFAOYSA-N 408.289 1.948 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)c2nnn(-c3ccc(F)cc3)c2C)CC1 1853498394 FWLZYRZSZSSXNE-UHFFFAOYSA-N 415.473 1.282 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)s1 1853605185 ZENUXSUSBOAOLD-HNNXBMFYSA-N 408.483 1.844 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)cc2)C(=O)C1 1853829333 UQBWCWUKNSUUES-UHFFFAOYSA-N 417.418 1.379 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cccc(=O)o4)C(=O)C3)C2)cc1 1854202076 IYWFHBMENUJJCB-GOSISDBHSA-N 406.442 1.070 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1CC(=O)c1ccc2c(c1)OCO2 1854242788 XCOACQBOAQXIBB-CQSZACIVSA-N 405.410 1.843 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccccc2Cl)C1=O 1854331444 XGTQOHQNNKQLQZ-JKSUJKDBSA-N 405.882 1.565 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854453722 FETKBQOEYVGXAI-INIZCTEOSA-N 419.503 1.656 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCCC[C@H](N2CCN(S(=O)(=O)C(C)C)CC2)C1=O 1854565894 AASZJCKOIGWVFE-ROUUACIJSA-N 413.584 1.852 30 10 HDEE CON(C)[C@@H](C)C(=O)N(CCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1C#N 1854851206 RYLYGANUFKGPEF-HNNXBMFYSA-N 405.455 1.403 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCCN(C(=O)Cn3nnc4ccccc43)C1=O)CC2 1855369254 GVXFRRUSGTWVPG-LPHOPBHVSA-N 406.490 1.965 30 10 HDEE Cc1cc2ncc3c(n2n1)CCN([C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1=O)C3 1855473368 JDCQUSUXLUPIEN-LJQANCHMSA-N 400.442 1.709 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(OC)cc(OC)c3)[C@@H](C)C2=O)CC1=O 1855639605 BAHFFZDSYJEMTH-RDJZCZTQSA-N 415.490 1.298 30 10 HDEE Cc1nc([C@@H]2CC(F)(F)CN2C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)no1 1855977771 JVKWMQSQGAQVGY-DOMZBBRYSA-N 416.388 1.716 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1856157212 YJSBSHCFGZYPAG-ROUUACIJSA-N 400.523 1.778 30 10 HDEE C=CCN1c2ccccc2N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C[C@@H]1C 1856376472 SNIXNPDEEPHMGJ-AWEZNQCLSA-N 403.504 1.755 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C(=O)C1 1856408125 MZWPWVUEAPCISE-LSDHHAIUSA-N 408.499 1.721 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)CC3CCC(=O)CC3)C2=O)CC1 1857065915 CFRYKTHRDWVKAH-LJQANCHMSA-N 409.490 1.352 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)CC(F)(F)F)C2)CC1 1857384419 MEYJWGSWHSNOOU-AWEZNQCLSA-N 409.412 1.793 30 10 HDEE O=C(O)c1ccc([C@@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1 1862740232 QCWIZCZWEJNBKE-MRXNPFEDSA-N 412.354 1.864 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2cn(CCOC)c(C)cc2=O)nc1C 1870087644 BMQIDVLBXADPBZ-UHFFFAOYSA-N 421.475 1.928 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CSc2nnnn2C)cc1=O 1870243677 DWHKNGMWMTYYON-UHFFFAOYSA-N 404.496 1.241 30 10 HDEE C=CCN=c1nc(N2CCC(CO)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575461 CNFNXEKRGXDHQL-UHFFFAOYSA-N 419.873 1.827 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@@H](C(=O)NC4CC4)C3)n[nH]2)c1C 1891318440 LTJVVCVRHFCXNP-GOSISDBHSA-N 412.494 1.586 30 10 HDEE C#C[C@]1(O)CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)C2)C1 1984760551 VVDGUPAPAJGXKQ-GOTSBHOMSA-N 413.518 1.752 30 10 HDEE C#CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074683475 KYLPITKUDKYJGI-XLGKRILJSA-N 408.476 1.031 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@H]1CNC(=O)OC(C)(C)C 2174779428 JENLMLYHIYUYOU-OWCLPIDISA-N 400.545 1.949 30 10 HDEE C#CCn1ncc(Cl)c(NCCn2cnc(I)c2)c1=O 2237127857 OHIXQBMIEIROQI-UHFFFAOYSA-N 403.611 1.443 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2241668787 WKFKCJOTRCJQHX-KGLIPLIRSA-N 401.504 1.800 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247861153 GXMDEXMEPRTOKI-ZDUSSCGKSA-N 418.303 1.515 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247916344 VXAZCNWBSQRHJI-UHFFFAOYSA-N 413.283 1.535 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2258152697 IFLVRIARRKIHAF-HNNXBMFYSA-N 404.404 1.075 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267371075 VEBOYBNASVSDMG-RYUDHWBXSA-N 405.372 1.456 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@@H]3C(=O)O)cc2Cl)OC1(C)C 2269027636 CHXNSXVGLRFJLP-CBAPKCEASA-N 407.706 1.452 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3CCNCC3)cc2Cl)OC1(C)C 2282306237 KWUGCYLZNBRLLX-UHFFFAOYSA-N 420.793 1.979 30 10 HDEE CC(=O)NCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282310490 UYSGPDXMXDQLFP-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@]1(C)CO 2282341526 UAXQRSXHUZWKKK-SJCJKPOMSA-N 401.359 1.686 30 10 HDEE CC[C@@H](CN(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504090 JPMKRUPWNCGCJY-LBPRGKRZSA-N 403.379 1.202 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282545216 HIUXUMUYTGTNHJ-HIFRSBDPSA-N 405.304 1.333 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](CO)[C@H](CO)C3)c2Cl)OC1(C)C 2282642026 HXTMYTQREMYDBN-QWRGUYRKSA-N 401.721 1.374 30 10 HDEE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282827587 AIGJYWZLWYBWKA-DGCLKSJQSA-N 401.721 1.783 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)NC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834965 OIZMVVNEKYITOQ-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H](N)C2CCC2)OC1(C)C 2282841915 YXETWQVTWZGWRQ-CQSZACIVSA-N 400.375 1.594 30 10 HDEE C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852662 SBWNLHZTCAKUAN-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE COC[C@H]1C[C@@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884449 ODFVBHHAKBWGCE-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399876 PEWXPPUDBWAVLC-NSHDSACASA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)OC1(C)C 2284408454 WVUURUXJCSKVPE-VIFPVBQESA-N 411.257 1.434 30 10 HDEE C#C[C@@H]1N(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1(C)C 2314549286 VNVYAGTWWKXRPA-CVEARBPZSA-N 408.476 1.128 30 10 HDEE COCCc1nnc(S)n1N=Cc1c(C(=O)OC)[nH]c2cc(OC)c(OC)cc12 2321888220 JQFSOMADMPZHTD-UHFFFAOYSA-N 419.463 1.923 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(F)(F)[C@](C)(N)C2)OC1(C)C 2362004513 OQBLKWZUHCCZLP-CQSZACIVSA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCS(=O)(=O)C(C)(C)C2)OC1(C)C 2362564933 XYKXVJZKGMJRSO-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362567886 PBDHSAIYPZHAMN-QWRGUYRKSA-N 400.331 1.090 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365207812 AMEPORLWSLUDNU-IQUTYRLHSA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@H](N)C#CC(C)(C)S(C)(=O)=O)CCOCC1 2365213479 WWXDNXHICHOVNU-OAHLLOKOSA-N 402.557 1.852 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C#CC(C)(C)S(C)(=O)=O)(OCCC(=O)O)C1 2365245191 XQLUERBQHDJIOZ-UHFFFAOYSA-N 403.497 1.730 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 27559359 VXTVZVXNWGSJAZ-IBGZPJMESA-N 413.566 1.924 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)NCC#CCOc3ccc4c(c3)OCO4)CC2=O)c1 90730830 HVMGUCWUEGNXSK-INIZCTEOSA-N 422.437 1.975 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H](O)[C@@H]12 299806807 UZTYOOVAPGOQDZ-CBLQALGUSA-N 420.458 1.762 30 10 HDEE in-vitro CC(C)(C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1)c1ccccc1 301347800 LGGBCGJEDWUHRF-UHFFFAOYSA-N 412.515 1.832 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](N4CCCS4(=O)=O)C3)cc2C1=O 434008764 QSKNCRZCRJFVHQ-OAHLLOKOSA-N 417.487 1.109 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nccn2CCc2ccccc2)CC1 435519707 NXIXCQDAQLNFAP-UHFFFAOYSA-N 410.522 1.255 30 10 HDEE CCO[C@@H]1C[C@@](NS(=O)(=O)c2c(F)cc(C#N)cc2F)(C(=O)OC)C1(C)C 444288244 QEKRDWQBDXHTKN-CXAGYDPISA-N 402.419 1.862 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c1 473451024 UEEYSYJORVSCQX-ROUUACIJSA-N 413.455 1.404 30 10 HDEE COc1cc(C(=O)NCC(=O)NCCOc2ccc(C#N)cc2)cc(OC)c1OC 474094589 HCZDSQCQXVXQIO-UHFFFAOYSA-N 413.430 1.509 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 479890123 MWNBSVWSIYGFDQ-HOTGVXAUSA-N 410.565 1.643 30 10 HDEE CC(C)C[C@@H](CO)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 481427128 WNZBYBZKTSUJNK-INIZCTEOSA-N 415.494 1.794 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 482169738 KTLGRONWMLZNJN-KSSFIOAISA-N 412.471 1.147 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1=O 499040067 DGXNULSEIHOIGS-ZDUSSCGKSA-N 406.368 1.627 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(Br)ccc2F)CC1 500655027 HPEWPQMSOQADPI-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@]3(F)CN(CC4CC4)C(=O)[C@@]3(F)C2)c(Cl)c1 503718566 GFGAWYVLZIRSOH-IRXDYDNUSA-N 415.849 1.885 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1-n1nnnc1C1CC1 505025568 WCDZJPKKIMAOAT-UHFFFAOYSA-N 409.450 1.639 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4ncc(C#N)cc4Cl)CC3)C2=O)n(C)n1 507909912 HADRTYNIKGLMKO-KRWDZBQOSA-N 413.913 1.966 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC34CC5CC(CC(C5)C3)C4)n2C)CC1 507936197 AYNFOQYKXCUAAD-UHFFFAOYSA-N 412.582 1.998 30 10 HDEE C=CCOc1ccc(CN2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc1 509558449 INEFIECIYQRZPQ-UHFFFAOYSA-N 405.476 1.450 30 10 HDEE Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)n(CCC#N)n1 520112348 BOZZQNSEHGGHSR-UHFFFAOYSA-N 419.511 1.485 30 10 HDEE CCS(=O)(=O)N1CCC(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 527517679 FHBVLTXZQCZKRV-UHFFFAOYSA-N 420.535 1.925 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CC[C@H](NC(N)=O)C1)CCCC2 535682625 ZDYORHGDPJKCCV-HNNXBMFYSA-N 406.490 1.909 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCCC2CCOCC2)CC1 537310991 JFVVAFQHLZUZGL-UHFFFAOYSA-N 405.520 1.988 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 539018522 LXBMDTDNYQPIRW-SFHVURJKSA-N 405.462 1.890 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1 549646270 CQTDDPACICUNOM-GOSISDBHSA-N 419.551 1.866 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c(F)c1 585699858 WGDQZQIJYZEPHH-UHFFFAOYSA-N 424.432 1.102 30 10 HDEE CC(C)c1ccnc(N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)n1 586864348 SAIMXLOFSFOXDG-UHFFFAOYSA-N 410.453 1.576 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 611562366 IAEAQIKIXLQIAI-INIZCTEOSA-N 410.471 1.033 30 10 HDEE C=CCOCCNC(=O)NC[C@H](O)COc1ccc(I)cc1 611564445 GHZMYHFRBKUHIG-ZDUSSCGKSA-N 420.247 1.533 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C)s2)c1=O 725763852 WKVGVNWLVVSBGB-UHFFFAOYSA-N 403.529 1.584 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1)[C@@H]1CCS(=O)(=O)C1 729332096 UUTBWHGWMWNAQB-JKSUJKDBSA-N 404.488 1.087 30 10 HDEE C#CCN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)[C@@H]1CCS(=O)(=O)C1 729333158 PREVIJWJOLGQLZ-CYBMUJFWSA-N 404.469 1.801 30 10 HDEE C#CCN(C(=O)c1nc(CC)n(-c2ccccc2Cl)n1)[C@H]1CCS(=O)(=O)C1 729335019 GLUQWBULYJCZSK-ZDUSSCGKSA-N 406.895 1.746 30 10 HDEE C#CCN(CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C)[C@H]1CCS(=O)(=O)C1 731213711 PBUONBLJIZMWAI-LAUBAEHRSA-N 420.531 1.393 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(NC(=O)[C@H]2CCCO2)c1 731905240 XCHCGDPFDCSQGC-GOSISDBHSA-N 400.460 1.935 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCN1C1CC1 732650388 QAFVJHCEALKGMH-CVEARBPZSA-N 408.549 1.490 30 10 HDEE C[C@@H](CC(=O)Nc1cc(C(F)(F)F)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 746290474 MDYPPAOAHMWCPN-QMMMGPOBSA-N 401.370 1.884 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCc3nnc4n3CCCC4)ccc2c1=O 753970261 IWFKAJCWTBHVTH-UHFFFAOYSA-N 410.503 1.772 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1C[C@@H]1CCCO1 754762943 FIVPBWGURUMEBU-ZDUSSCGKSA-N 421.400 1.856 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)c1 759619732 CYYIQRVWIIILBN-IBGZPJMESA-N 419.547 1.315 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)C(C)(C)O1 764863038 CRVLRUVMMXQMOY-OAQYLSRUSA-N 412.494 1.301 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 765561051 YJKNBVBRESWDLG-VGSWGCGISA-N 422.570 1.906 30 10 HDEE C#CCN(C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 774179447 OINXIUWDQJRJTB-MRXNPFEDSA-N 411.911 1.891 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)cc1 780940401 NVZWKCSWQFVBLT-GHTZIAJQSA-N 422.489 1.003 30 10 HDEE C=C[C@@](C)(CC)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 785770837 YLEWXCVJXXIQSV-QFIPXVFZSA-N 413.474 1.989 30 10 HDEE COCCOc1ccc(F)cc1S(=O)(=O)NC(=O)[C@@H](C)Oc1ccccc1C#N 787017923 JGRYWLUQROMBCV-CYBMUJFWSA-N 422.434 1.995 30 10 HDEE CN(Cc1ccccc1)C(=O)[C@@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 787069646 AQQPRWKHWGUZPV-KRWDZBQOSA-N 410.474 1.951 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)CNC3=O)c2)n1 788533765 JHJIJNWTGNFCCS-UHFFFAOYSA-N 410.434 1.253 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CC(=O)NC2CC2)C1=O 790737234 RVOJWKJBWBXUIZ-AWEZNQCLSA-N 423.564 1.026 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790808731 ROAXOYPFLUJSDE-KBXCAEBGSA-N 401.529 1.482 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccnc2I)n1 791013262 WPJXALJXMBTOJV-UHFFFAOYSA-N 424.242 1.805 30 10 HDEE CNC(=O)C[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)c1ccccc1 797517503 NPGZUEAANYABSU-IXDOHACOSA-N 415.494 1.922 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 797816206 KWUQUIXVUWONEZ-FVQBIDKESA-N 419.551 1.888 30 10 HDEE COc1ncc(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)n1 798618156 UYYWYTPNUYCXEQ-MRXNPFEDSA-N 409.402 1.614 30 10 HDEE CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(C(F)(F)F)c1 798742326 LITGPUGDDAXNIV-VIFPVBQESA-N 424.339 1.870 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)CCN1C(=O)COc2cc(Br)ccc21 915522125 QGBJCIIVXNTQQE-NSHDSACASA-N 411.252 1.799 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)c1 918956139 ANSRWNAQCMNKMF-ROUUACIJSA-N 422.503 1.478 30 10 HDEE C=CCNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084500021 DUPYMEUESNXQQU-SECBINFHSA-N 420.411 1.850 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCC(=O)N1Cc1ccc(Br)cc1 1132668168 FEMYTQNWOMVMGD-HNNXBMFYSA-N 422.279 1.855 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nnc2c(=O)n(C)ccn12 1133044588 GJDQPYKUZHMGNH-UHFFFAOYSA-N 407.352 1.942 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cc(C)nn2C)C1=O 1137113951 APKREUVOPZNBLT-LSDHHAIUSA-N 403.483 1.257 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ncc(Br)cc3O)C2=O)cc1 1139811232 HHCWFEQAORXQSH-CQSZACIVSA-N 415.247 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)s1 1143305505 BWCXTKASIXRJBY-UHFFFAOYSA-N 420.472 1.737 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](CC(F)(F)F)C1 1148485571 MCPYGWOHCLADST-GFCCVEGCSA-N 419.425 1.685 30 10 HDEE COC[C@@H]1CCCN1NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1167324712 AOARSRONWDJMBB-HOCLYGCPSA-N 408.524 1.282 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCN(CC3CC3)C2)cc1 1168222331 CAVYLFWZIUYMFU-KRWDZBQOSA-N 404.536 1.730 30 10 HDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)CCOC1 1196262447 DHXNVUZPYATSKV-LJQANCHMSA-N 406.508 1.125 30 10 HDEE C=CCc1cc(CNC(=O)N2CCn3c(COC)nnc3C2)cc(OC)c1OC 1225351296 WOXAMPYEDMUXQD-UHFFFAOYSA-N 401.467 1.896 30 10 HDEE CC#CCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1226585216 UAEAMBCRJMLVGF-AWEZNQCLSA-N 411.243 1.887 30 10 HDEE C#CCC1(NC(=O)NCCNC(=O)c2ccc(Br)cn2)CCOCC1 1230873656 RMVGAOVOYPZRJW-UHFFFAOYSA-N 409.284 1.446 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1253005702 NYURPPLYKZTUKA-SUMDDJOVSA-N 403.527 1.836 30 10 HDEE C#Cc1cccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)c1 1275917235 JYZCLLQUMBUSOP-UHFFFAOYSA-N 414.483 1.627 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1286271863 WFWYAXMKJKJSIO-KURKYZTESA-N 402.543 1.471 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CC(=O)N(CCOC)C1 1286370432 LOJQJLNFNUNTNH-MRXNPFEDSA-N 406.490 1.991 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(N2CCOCC2)CC1 1286432569 OVIVWNFKKGNWEK-UHFFFAOYSA-N 421.549 1.467 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1286451019 HFNWZKUAUNRBDD-AWEZNQCLSA-N 423.514 1.682 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1286707022 WMSXMGYQODGMLN-UHFFFAOYSA-N 419.530 1.003 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](C(C)(C)C)C1 1286781085 OHBZPNGXIDLVLF-INIZCTEOSA-N 420.558 1.750 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC2(CCOCC2)C1 1286790918 ZNEAUPHXIYDVGN-UHFFFAOYSA-N 416.551 1.943 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1287144099 FDQFGYDATWIJRW-FCHUYYIVSA-N 408.506 1.940 30 10 HDEE COC(=O)Cn1ccc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1 1292774294 SYKRMXBULUASKP-UHFFFAOYSA-N 418.251 1.765 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1=O 1296102797 JQMGMYNZNXYFSF-IBGZPJMESA-N 424.505 1.681 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(C)COCCO1 1298284032 XPRFWURNPVNPOV-NRFANRHFSA-N 407.478 1.992 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1300421343 CDIGZFYIBAHOMY-UHFFFAOYSA-N 420.517 1.976 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1300422121 GDMVCWINWQZYMJ-QGZVFWFLSA-N 406.446 1.783 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1300430855 AZJHMXBAQIPUDL-QFIPXVFZSA-N 417.554 1.645 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nnc(C(C)(C)C)s1)[C@H]1CCS(=O)(=O)C1 1300483460 KAFNNNMXHVYLSG-ZDUSSCGKSA-N 408.553 1.411 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)OC 1300560488 ACYOTVOELFFMMZ-INIZCTEOSA-N 400.504 1.846 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)[C@@H]1O 1300565387 RYMQPPJTRVLSBI-QWHZDKJVSA-N 405.520 1.434 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCS(C)(=O)=O)CC1 1300696021 REIWNFVZYPGVDG-UHFFFAOYSA-N 412.519 1.226 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2(O)CCC2)CC1 1300710898 PNRSPBOSUIFMMV-QZTJIDSGSA-N 401.555 1.867 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN1CCOC[C@H]1C 1300787216 KAXJATQRWRZQOI-DBXWQHBBSA-N 405.543 1.715 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301196721 IHWOXMWXYOTFLF-GDBMZVCRSA-N 407.544 1.031 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(C)C)CC1 1301579359 QECWAPPCNHLARU-UHFFFAOYSA-N 406.556 1.841 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CNC(=O)c1ccccc1I 1303043112 VBYTZHAGAKCHFL-LLVKDONJSA-N 402.232 1.464 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCCS2)CCOC1 1303504208 FZKFYRNCCXFUCG-GPMSIDNRSA-N 407.540 1.943 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCOCC1 1303777939 TZJQJGUUSZYCES-UHFFFAOYSA-N 406.504 1.134 30 10 HDEE C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1308883818 VVHINLATVLVSLE-UHFFFAOYSA-N 419.956 1.442 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](CO)c2ccc(OC)cc2)c1 1309568738 ASBQYLAYCAHWKX-QGZVFWFLSA-N 404.488 1.665 30 10 HDEE COCC1=CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1315866832 BNPSLWVVEQWJTB-FMQUCBEESA-N 414.510 1.786 30 10 HDEE CC(=O)N[C@@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)C 1354285416 IWIYFWCPZPBORQ-ACXJOVJBSA-N 408.524 1.989 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1358931046 MUXKMMFNFLVFBG-UHFFFAOYSA-N 405.499 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1358992325 INJWURPWGOGTNX-KGVIQGDOSA-N 411.506 1.420 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1359010393 OGCDSAXSQAMZSI-IAGOWNOFSA-N 423.583 1.897 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1359010785 ZBZHNJSUVIICKU-JKSUJKDBSA-N 402.524 1.414 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359096575 DPSMMOXATRPPJB-AYBZRNKSSA-N 413.526 1.717 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCN(CC)CC1 1359106495 GEOYSXMDMXJKKD-SFHVURJKSA-N 405.591 1.845 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1359131213 LQKAUPBNPKOIFV-GJZGRUSLSA-N 410.544 1.529 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359148228 ICIAQISOEFXBEH-UHFFFAOYSA-N 419.917 1.007 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359301380 XXEMAKLBJWWCTM-IAGOWNOFSA-N 418.542 1.217 30 10 HDEE C#CCN(C(=O)c1cncc2nc(C(F)(F)F)n(C)c12)[C@H]1CCS(=O)(=O)C1 1359871974 VZJQBPIUOCYNBU-JTQLQIEISA-N 400.382 1.250 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1360143115 YEMSKXVRCFSTAE-CQSZACIVSA-N 409.280 1.537 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCCS(C)(=O)=O 1360466918 JJHVOMINLXKHCJ-OAHLLOKOSA-N 410.544 1.467 30 10 HDEE Cc1c(C(=O)Nc2nc3c(cc2C#N)C[C@@H](C)CC3)cnc2c1c(=O)n(C)c(=O)n2C 1440102465 NNSMNUHKBCBTQU-NSHDSACASA-N 418.457 1.584 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1445682970 BSSHVPIWWMQHOF-CQSZACIVSA-N 406.236 1.115 30 10 HDEE COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1446862518 BBWXPUDGNAITBB-AZOIQLNYSA-N 407.492 1.463 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)Cc2ccc(O)cc2)s1 1447098592 MRLQGWFNEJOMIH-AWEZNQCLSA-N 410.517 1.180 30 10 HDEE C[C@@H]1CCN(C(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1447648445 GFQMOPAHWJJBHR-LLVKDONJSA-N 401.282 1.735 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccnc(C#N)c3)cc2)C[C@@H](C)O1 1448862055 FDSJJUCNBRIRAX-GASCZTMLSA-N 414.487 1.681 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1452477738 RSNXXVUPOZLPSJ-FUHWJXTLSA-N 405.520 1.088 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C1CSC1 1453165665 UVJDMYFVBOJZBP-GASCZTMLSA-N 408.545 1.675 30 10 HDEE C#CCSCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1455109200 PFISMMYLVZRSIH-KFWWJZLASA-N 409.508 1.394 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(CC(=O)NCc2cccc(C#N)c2)CCCO1 1460213110 GNGQWLJJEAHAHZ-GOSISDBHSA-N 402.495 1.790 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1)C1CCOCC1 1461711629 MUAUQDHNGPTFDW-QINHECLXSA-N 420.531 1.643 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CN3CCOCC3)C2)c1 1467500302 FUQXHTSNRWVBFQ-GOSISDBHSA-N 404.532 1.668 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 1468477749 IOGPGMDTECFDIX-QGZVFWFLSA-N 406.504 1.688 30 10 HDEE Cn1nnc2c1CC[C@H](NC(=O)C1CN(c3ccc(Br)cc3C#N)C1)C2 1469520231 DJAHMKUSRBYZCH-AWEZNQCLSA-N 415.295 1.559 30 10 HDEE COc1ccc(N2C[C@@H](NC(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)CC2=O)cc1 1470757254 GATBEQPNPSBVGO-QFBILLFUSA-N 421.457 1.930 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1 1471834485 IDTABUGIBRIDMO-CQSZACIVSA-N 404.517 1.126 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]([C@@H]2CCCO2)C1 1473820221 ZTPMNUJSBOLGLI-WTGUMLROSA-N 420.554 1.111 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)CC1 1479069586 XJHRXOJIJBBXNQ-HXUWFJFHSA-N 421.505 1.081 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1493263960 BIPRWPHSJAIQGN-KSZLIROESA-N 417.558 1.513 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1507612953 IJAVULCASBVLPA-INIZCTEOSA-N 401.492 1.163 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1507711381 ASZLRYVDSCBVOC-NRFANRHFSA-N 421.611 1.771 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507760388 ZULPAXKRRDYOMC-ZWKOTPCHSA-N 405.568 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC1CC1 1507760782 AZLAKLAXZJJFRA-OAQYLSRUSA-N 407.478 1.444 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1507771536 BGIKQYRYYXWCKL-GQIGUUNPSA-N 405.568 1.655 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507794276 DXAIJYLJOREYLX-QYZOEREBSA-N 402.543 1.311 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1507823737 FAQXMRIUZVANJK-IFXJQAMLSA-N 423.514 1.701 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1507831807 FWPAHBKPIUQGKB-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1507968066 POARBASNTIEYIO-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1508423022 HUJPIADDUGXFJX-AUUYWEPGSA-N 421.498 1.153 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(N)=O)c1 1509950537 DKDYGWIPZBFXGL-CQSZACIVSA-N 406.450 1.386 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCSCCCO)C1 1510289898 RUGPHFJHOXVREI-IBGZPJMESA-N 406.556 1.760 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@](C)(C#N)CN(C)C)c1 1520702503 YLUVYFSFHKXVEW-KRWDZBQOSA-N 400.932 1.943 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C(=O)OC)nc2)cc1 1525586318 SXQPLHFVAGBMBD-UHFFFAOYSA-N 403.460 1.856 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)c(F)c1 1528988499 HWYVJWMTZILQON-UHFFFAOYSA-N 417.462 1.957 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)nc21 1536218765 UAFRXAUZMPHVGJ-UHFFFAOYSA-N 402.418 1.757 30 10 HDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)nn1 1536310842 PLXYDSWXYZNGKI-OAHLLOKOSA-N 404.268 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1538995240 KSLXNAPVQZDXOO-INIZCTEOSA-N 423.521 1.996 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1539147512 AUIZTXWUYWQRPP-AWEZNQCLSA-N 403.508 1.079 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1539216790 XHFZIZVSUZVRFF-INIZCTEOSA-N 424.486 1.116 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1539722625 HUZZERYQIAKIPK-GQIGUUNPSA-N 405.499 1.830 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1539744524 OTKGULRBSKDYJV-KRWDZBQOSA-N 412.494 1.557 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CN(C)C2=O)CC1 1539871288 KBRRAZWIFMMYGL-NRFANRHFSA-N 409.494 1.806 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1539965950 CHEPNUHQMGHLRR-INIZCTEOSA-N 409.556 1.641 30 10 HDEE CN(C)CC(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540610545 CBBGRZYIEBILCR-MRXNPFEDSA-N 409.531 1.196 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)C1 1540884467 POOHOWQKKSWAIF-HIFRSBDPSA-N 410.500 1.014 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3c[nH]nc3I)CC2)nc1 1543554968 MTUHFEOXYXLWMC-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE CNC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)[C@H](C(=O)NCCOC)C1 1548368020 HUIBQIMLKJGCMB-HNNXBMFYSA-N 413.400 1.170 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C(=O)OC 1556375922 WOQKOSDJYTZYPP-MRXNPFEDSA-N 407.444 1.728 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)C1=O 1556439510 PJGVXZSFRLLCKA-KSSFIOAISA-N 416.544 1.360 30 10 HDEE O=C(CCCNS(=O)(=O)c1ccc2c(c1)CCCC2)N[C@@H]1CCCN(O)C1=O 1556782743 RKDQPFQUELMEQF-QGZVFWFLSA-N 409.508 1.120 30 10 HDEE CC(C)C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)CC(=O)O[C@@H]1CCOC1 1557238666 HIZKDLDBAFQQQH-PKOBYXMFSA-N 415.490 1.789 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCCCCNC(=O)CC1 1557885626 OLDKUIMTABKDQG-HNNXBMFYSA-N 406.508 1.134 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@H](C)O)CC1 1557999049 XZMSWGVHGXRTIR-WMLDXEAASA-N 407.536 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NC3CCN(CC#N)CC3)nn2)C1 1558929689 OYXBTMFQAOJMKT-INIZCTEOSA-N 417.514 1.568 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c[nH]c2c(Br)cccc12 1561406632 GMTNKTSVNHTPAP-UHFFFAOYSA-N 407.311 1.810 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1563923123 VYIPWFKAWQSUAR-HNNXBMFYSA-N 423.535 1.984 30 10 HDEE N#CCCC[C@@H](NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)c1ccccc1 1564832741 TYWINVYNUYMSAB-HXUWFJFHSA-N 413.522 1.608 30 10 HDEE N#CC1(CNC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)CCOCC1 1565465907 JTEVAYLSEHDPSN-UHFFFAOYSA-N 405.543 1.330 30 10 HDEE C[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1585431300 BWBQVAYVFKZLRD-BTDLBPIBSA-N 406.236 1.575 30 10 HDEE CC[C@@H](C)n1ncc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc(C)nc21 1585660836 XKVLXXBTBAFRNB-BIENJYKASA-N 401.492 1.721 30 10 HDEE CCOC(=O)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)[C@@H](O)c1cccnc1 1587181270 TXPVQOVMAQUPHR-AHRSYUTCSA-N 422.441 1.088 30 10 HDEE N#C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(OC(F)(F)F)cc1 1587308791 MTWWCGWVPYGQMD-CYBMUJFWSA-N 406.324 1.552 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1587550307 GNVJUSYMJFTZAR-UWJYYQICSA-N 402.495 1.660 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1587856882 TZNYDNSQNIUZJJ-OXQOHEQNSA-N 422.551 1.368 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1588400269 YZEPVPRKPUIKTP-IRXDYDNUSA-N 420.558 1.996 30 10 HDEE C[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1594797751 SBBWATPZIGZTFP-GCJKJVERSA-N 423.473 1.643 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2c(F)cccc2OC)CC1 1595393385 XZYSWZJIWJWLCF-OAHLLOKOSA-N 400.458 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC2(CCCC2)C1 1595789326 QUPHBMUPXUPPEE-MRXNPFEDSA-N 421.567 1.991 30 10 HDEE COC(=O)CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCCC1 1597414858 AWPWJRSPOHFURK-OAHLLOKOSA-N 421.519 1.997 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCc1ccc(C)c(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1597463292 GOAYLOVWAMKRBW-NRFANRHFSA-N 413.499 1.938 30 10 HDEE CC(C)SCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1611135991 MKNCTBHRCAHYCY-ZDUSSCGKSA-N 404.496 1.876 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2CC(=O)NCc2ccco2)C1 1611767225 JOLJTQIZYZBMPC-HXUWFJFHSA-N 406.450 1.775 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(c3cc(C#N)nc(C4CC4)n3)CC2)cc1 1611771468 KGINSHDRYDXTCB-UHFFFAOYSA-N 411.487 1.939 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)COCCO1 1611801609 KFCHORPHLITEIS-VGSWGCGISA-N 424.505 1.714 30 10 HDEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC12CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1613063063 JJAISEOXBGTRAP-OAHLLOKOSA-N 417.510 1.807 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1613558533 FJOLMZLDGNMQTA-FQEVSTJZSA-N 419.505 1.684 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1616205244 GMRCVNJLDAAAIH-ATZDWAIDSA-N 409.462 1.178 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C(=O)OC 1617318718 ONMSCLUPILMHTB-OKILXGFUSA-N 409.236 1.284 30 10 HDEE COCCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ccc(C#N)o2)CC1 1619963145 WOZFURQNMMZLFP-UHFFFAOYSA-N 414.510 1.969 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1620023403 RGJUHJMFJKNZRB-HUUCEWRRSA-N 414.466 1.326 30 10 HDEE C[C@@H](CCN1CCN(C)CC1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1622049584 BDJSYAPTMQIGSV-ZDUSSCGKSA-N 415.357 1.625 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1624424205 STNPMLPVEMDWRP-IPMKNSEASA-N 402.516 1.394 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2ccsc2)s1 1629986356 DPHIYMYBXDUOSX-INIZCTEOSA-N 400.547 1.840 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)C2)c1 1630765732 INIYYZDRJGDIEN-FPOVZHCZSA-N 422.460 1.525 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1632289010 ZGCUMJPIFDAIDG-BETUJISGSA-N 407.492 1.352 30 10 HDEE C=CCc1cc(C(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc(OC)c1OC 1633185354 AQQOSUHQEWMKBT-QFIPXVFZSA-N 404.507 1.778 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N1CCN(CC#N)CC1 1634011888 XNOWFCQLIIKQRL-UHFFFAOYSA-N 412.494 1.729 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)C3CCOCC3)C2)C1 1634335115 JBJIDYMYOOUOBS-JWRWLIQVSA-N 407.511 1.677 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3cccc(N4CCOCC4)n3)C2)nc1 1634566323 XYYKXVIXPXKTLT-LJQANCHMSA-N 421.505 1.971 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(Br)cn2)cc1S(=O)(=O)NCC#N 1635911685 XFMQRVUFBLEULO-UHFFFAOYSA-N 423.292 1.884 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)c1cccc(CNc2ncccc2C#N)c1 1636309058 ZJXGQKBESJOIMZ-KRWDZBQOSA-N 410.430 1.600 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1636838539 CTDARHNMEKTTCO-LSDHHAIUSA-N 416.503 1.091 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)C1 1638074627 HZNDLJIRSGRQDT-GOSISDBHSA-N 404.942 1.912 30 10 HDEE C=CCN(C(=O)Cn1ccc(=O)c([N+](=O)[O-])c1)[C@H](Cc1ccccc1)C(=O)OCC 1638618133 WOAFWWRSOSJDPP-QGZVFWFLSA-N 413.430 1.946 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CSCc1cc(=O)n2ccsc2n1 1640924813 VJXSXAWYIAPUTK-UHFFFAOYSA-N 407.517 1.793 30 10 HDEE N#Cc1cn(CCNC(=O)c2csc(-c3ccc(F)c(F)c3)n2)c(=O)nc1O 1641033719 GNQJOMGJWUTJSE-UHFFFAOYSA-N 403.370 1.652 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 1643049588 GGFYPZXEIGZHNB-CYBMUJFWSA-N 404.496 1.449 30 10 HDEE C=CCn1cc(CNC(=O)c2sccc2S(=O)(=O)NCc2cccs2)nn1 1643214137 MWPPAEMALKCNLU-UHFFFAOYSA-N 423.545 1.996 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1B1OC(C)(C)C(C)(C)O1 1646488699 MPCPABQZNZIDSQ-PMACEKPBSA-N 414.355 1.965 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)c1 1648091205 ZHVYQPXBPWOEMO-AWEZNQCLSA-N 400.522 1.237 30 10 HDEE C#CCC1(O)CCN(C(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)CC1 1650951582 JSDKQPDIXGLFBM-UHFFFAOYSA-N 400.504 1.819 30 10 HDEE CN(c1cccc(CNC(=O)CNC(=O)c2ccc(C#N)cc2)c1)S(C)(=O)=O 1653484559 KZNDFCGAMBIFKA-UHFFFAOYSA-N 400.460 1.000 30 10 HDEE CC(C)N(CCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1653760137 RCPKYVYVDLZZOJ-UHFFFAOYSA-N 405.455 1.239 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1654885840 TVIMDIXZUNBTNX-NHYWBVRUSA-N 403.382 1.394 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1)C(=O)OCC 1664951552 MYGQFAILXQTXRA-AWEZNQCLSA-N 409.913 1.833 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 1669661973 AHQJGOAYZFBECG-LLVKDONJSA-N 421.302 1.483 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1672798647 NCEPWVDBTMAPCP-XHSDSOJGSA-N 410.515 1.392 30 10 HDEE CN1C[C@H](CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1684163589 IOJQKIYFOIRSEZ-QGZVFWFLSA-N 421.505 1.648 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1687592992 FSGDDXROPJSMMJ-IBGZPJMESA-N 418.563 1.417 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1689907494 ACXGEDYQTCMMLA-HKUYNNGSSA-N 403.527 1.897 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689998148 CRCURRUPGHRIBR-OKZBNKHCSA-N 423.583 1.487 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(OC)CCOC2)CC1 1690144204 PHLASOFPRBCUMI-JOCHJYFZSA-N 415.538 1.707 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690311101 CQYVISMAGNXQNW-BZUAXINKSA-N 400.545 1.633 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690340925 BDEUHAIRIGVFCN-UHFFFAOYSA-N 411.919 1.348 30 10 HDEE C=CCCCCn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1690468033 PJHJVFQWEOHPQW-UHFFFAOYSA-N 401.519 1.267 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nnn(C)n1 1690519902 BGOXVROMAIOIAK-UHFFFAOYSA-N 419.287 1.910 30 10 HDEE C=CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1690542621 VWRSELLZFCWIEW-MRXNPFEDSA-N 404.540 1.862 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC[C@@H]21 1690728996 CQUJODNJNJGBSR-IRXDYDNUSA-N 404.540 1.729 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692845680 HKGHEBHHRSAUPK-JXFKEZNVSA-N 414.535 1.829 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOC1=O 1694314174 DJCPFSQXYGISJF-UHFFFAOYSA-N 417.514 1.779 30 10 HDEE CC[C@]1(C)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694444741 RFSRCPBVKHVINS-GAJRUTHPSA-N 422.493 1.888 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CC1 1696688625 UXRNYCZZQAGDRD-UHFFFAOYSA-N 403.446 1.958 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC1CC1 1705491417 CJCQVORMUOPWRW-MRXNPFEDSA-N 422.537 1.436 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1705568501 OSJOOXMUCFRFML-ULQDDVLXSA-N 410.540 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1705572870 REWZBEJWDLBOMW-VGOFRKELSA-N 420.473 1.336 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705653314 FAFAIXVMRPADIF-GJZGRUSLSA-N 409.512 1.009 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705660851 IWNRUUXLXLUFOZ-UHFFFAOYSA-N 404.584 1.341 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1705828708 WLLDGYVZIRNJRK-UHFFFAOYSA-N 400.487 1.179 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](NC(C)=O)C1 1705905011 GJOVLCGYMBHAFL-LJQANCHMSA-N 410.522 1.584 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCc2oncc2C1 1705936537 SOODWEFDZVPTMU-AWEZNQCLSA-N 407.496 1.324 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC(F)F 1706075174 KMXNWVAXIPBRFD-OLZOCXBDSA-N 405.471 1.448 30 10 HDEE CN1CC[C@@](O)(Cn2c(C(=O)N3CCCC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1711273803 HQAYWONCFYYXQS-QFIPXVFZSA-N 423.521 1.089 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(=O)(=O)CC 1722288408 ZANNKDYFBDJVTG-OAHLLOKOSA-N 412.519 1.891 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722430044 ZNYCQWWFMPEYEO-INIZCTEOSA-N 409.556 1.303 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCn2cc(C)cn2)CC1 1722439802 QDEFLUZGGXRWBN-UHFFFAOYSA-N 410.551 1.594 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)NCCOC)CC1 1722459506 LPDVVUDYMMWGJS-QGZVFWFLSA-N 421.567 1.127 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(CNC(C)=O)CC1 1722461960 WFQVFTPFARYPEO-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1722640102 JFDGMUVFAKXXTM-MRXNPFEDSA-N 404.492 1.990 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1722672557 TUTFTLKZLZKTKK-KRWDZBQOSA-N 404.540 1.954 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1722691598 RYHOFPHRAXXMME-UHFFFAOYSA-N 404.544 1.444 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722699121 BSGQAYVUPGJQJJ-YJBOKZPZSA-N 417.485 1.550 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nnc(C)s2)C1 1722711251 SYBNOZQLDCIGKV-HNAYVOBHSA-N 420.539 1.920 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1723976663 CZYQWLAQPSTRJJ-UONOGXRCSA-N 424.502 1.845 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1727861788 MMMWMISUCBCUNN-AWFCHZOYSA-N 408.528 1.317 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](F)COC 1740540334 YSIJCEYIOJRMTR-ZFWWWQNUSA-N 422.530 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCC(F)F 1740542575 ADIHEEWLMYEWOD-LBPRGKRZSA-N 407.421 1.802 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1740574878 OSXZDVHFMBHSOF-KRWDZBQOSA-N 421.567 1.431 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCCNC(C)=O 1740607586 WSIHXULOABDMOS-UHFFFAOYSA-N 421.505 1.832 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1740636926 ITVSEFRQJUIHMC-KRWDZBQOSA-N 420.439 1.999 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)CN2CCCC2)CC1 1740688231 CCEGTBGPSGNKAZ-LJQANCHMSA-N 413.570 1.001 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(O)CCOCC2)C1 1740970164 FXOAQXPASYAHTG-MRXNPFEDSA-N 407.515 1.129 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(CCCO)CC1 1740989323 JIIBNIPZBINYMR-UHFFFAOYSA-N 419.551 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740989879 BBPFAALLOPRBPD-SJORKVTESA-N 418.523 1.484 30 10 HDEE CC(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1741314131 FOAICMLIFFFENC-IBGZPJMESA-N 412.542 1.775 30 10 HDEE CCC(O)(CC)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1744199856 RDISQGZSYCMEHE-HDICACEKSA-N 413.478 1.841 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1745791505 KCZBHZHYCXHJEX-JKSUJKDBSA-N 410.434 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1748670924 DTRUZUHQQZXNGM-XYJFISCASA-N 405.568 1.655 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1748771774 KETCHKIPOOWURJ-HNNXBMFYSA-N 414.535 1.990 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748805012 MWHBVOCLZIWJLD-PXNSSMCTSA-N 415.563 1.734 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749426785 HMBVMJCWIKRLPX-QKLQHJQFSA-N 424.567 1.921 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)OC)C1 1749658294 MTOIABCBSWUTBW-AWEZNQCLSA-N 418.885 1.685 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1749658323 JNOBYSAPAXUOQR-UHFFFAOYSA-N 409.450 1.007 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1749672539 XFOQJYZBOUAMLI-ZWKOTPCHSA-N 404.559 1.326 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(O)CCOCC2)C1 1749694227 QCDRGTWHSDSDKK-KRWDZBQOSA-N 421.542 1.519 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccccn2)C1 1749698696 WLKKFIXPTDQPAV-NVXWUHKLSA-N 420.539 1.307 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1750103913 BUJKJFWGFKRTOV-SJORKVTESA-N 413.434 1.594 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1750378240 FOWBDCITHKALFF-DNVCBOLYSA-N 419.482 1.698 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1760126817 JTCVNRFPUOSKJA-KFWWJZLASA-N 404.515 1.643 30 10 HDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CC[C@H](C(N)=O)C1 1760146171 DZXWPVSWMCXUGJ-LBPRGKRZSA-N 405.300 1.771 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1760180389 DECWWJBAXQESCW-LPHOPBHVSA-N 408.524 1.133 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC1(N2CCOCC2)CC1 1760250391 HDFOUZCVFMHCAI-UHFFFAOYSA-N 401.555 1.962 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1760316036 LMRVDIHCLRGRDG-JJXSEGSLSA-N 410.544 1.465 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)CC1 1760382840 ZFMMNPPKRDMPII-KDOFPFPSSA-N 409.512 1.545 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCc2ccco2)CC1 1760395977 CWLVVDMVQBDZBY-UHFFFAOYSA-N 400.483 1.728 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc2ccccc2[nH]1 1760514701 LIZXAKUTTBTYSE-UHFFFAOYSA-N 421.505 1.934 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)[C@H]1CC 1760532926 JMRONPQSQAFDJJ-IAGOWNOFSA-N 424.505 1.557 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1760802659 CWGRCKKPDLLXQH-GOSISDBHSA-N 406.487 1.995 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@@H]2CO)o1 1761760357 HYDYCNUQCIRIKH-QZTJIDSGSA-N 414.510 1.812 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1Cc1ccoc1 1767942563 HRRUDXQHOXVJHG-HNNXBMFYSA-N 408.466 1.833 30 10 HDEE CN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1768569204 FGRNOAPRUQGINV-DVSFIDLUSA-N 423.477 1.015 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)C 1772564049 VSYDUYFGIVQHSG-UHFFFAOYSA-N 412.542 1.989 30 10 HDEE O=C(CCNS(=O)(=O)c1ccccc1Cl)ON1C(=O)c2ccccc2C1=O 1772786105 PHWKQYJXHIWOKZ-UHFFFAOYSA-N 408.819 1.763 30 10 HDEE C#C[C@@H](C)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851818602 XLKPUQBJODEAQA-KUHUBIRLSA-N 400.456 1.789 30 10 HDEE COc1ncc(Cl)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851886865 YTSOWBKTLYAYSJ-UHFFFAOYSA-N 401.854 1.989 30 10 HDEE Cn1ccsc1=NC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1852049851 QEOJYYFBJVNSDQ-IRXDYDNUSA-N 401.536 1.377 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1=O 1853682355 KIDSJCBCUJAESC-IAGOWNOFSA-N 409.490 1.493 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN2CCC(C#N)CC2)CCC1=O)n1nc(C2CC2)ccc1=O 1853686986 DHRVJDYGUTVHSU-WBVHZDCISA-N 411.506 1.682 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(Cl)ccn2)C1=O)[C@@H]1CCN(C)C1=O 1854100236 PKCIVWJVOLNKCK-DLBZAZTESA-N 404.898 1.975 30 10 HDEE Cc1cc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)ccc1F 1854414203 OJYRNHONDPVRST-UHFFFAOYSA-N 421.494 1.904 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1 1854467890 JBSYNJBXLNYBSW-KRWDZBQOSA-N 409.483 1.226 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(Cl)ccn2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642674 URJZTBDXIOLTHW-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1854643738 SOGAGBACSSYWSX-INIZCTEOSA-N 411.483 1.857 30 10 HDEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CCN(CCCC#N)CC2=O)CC1=O 1855552824 KWWAWHMSWLOZSD-OAHLLOKOSA-N 402.882 1.976 30 10 HDEE CN([C@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1855596457 KMTFUSKPLZHOLB-MSOLQXFVSA-N 403.504 1.127 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C1=O 1856349627 ZADOTSDCPMDUKT-LJQANCHMSA-N 407.474 1.658 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCCc4cncc(OC)c43)CC2=O)CC1=O 1856854668 KJMVDOODFKVTNM-WBVHZDCISA-N 412.490 1.252 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)COc2ccc(-c3ccccc3)cc2)CO1 1856866173 HLVDSHBAEXYPLM-GOSISDBHSA-N 402.428 1.745 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccnc2OCC)C1)[C@H]1CCN(C)C1=O 1857055429 FDEVRRHGSJSRFQ-WMZOPIPTSA-N 414.506 1.578 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857098042 HOVZKHHCYAJHJN-CQSZACIVSA-N 415.446 1.900 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cnc3ccc(C)cn23)C1)[C@H]1CCN(C)C1=O 1857269171 KHCMFYCQVFYZGS-SJORKVTESA-N 409.490 1.350 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1 1858969455 MLMLWVPPAFJKEU-UHFFFAOYSA-N 419.478 1.901 30 10 HDEE N#Cc1cccc(C(=O)Nc2cc(C(=O)NCCN3C(=O)CSC3=O)ccn2)c1 1860529790 OSPASHXCBLAZQU-UHFFFAOYSA-N 409.427 1.631 30 10 HDEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCCNC=O)c1 1862558443 XIZPZAOAFBCMJG-IBGZPJMESA-N 409.442 1.992 30 10 HDEE Cc1nc(C)c(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)s1 1870161745 FRVISFXBGRMXKU-UHFFFAOYSA-N 407.415 1.690 30 10 HDEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(O)CC1 1870350293 YDSQDGOXLCDVKQ-UHFFFAOYSA-N 410.518 1.817 30 10 HDEE C#CCOc1cn(CCOCCO)c(CNc2cc(OC)cc(OC)c2)cc1=O 1871007384 AGFCYXPSRZNZOP-UHFFFAOYSA-N 402.447 1.499 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1891162203 DWCWXYWJVZPZNF-INIZCTEOSA-N 404.426 1.867 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(=N)[nH]cc2Br)[C@@H](C#N)C1 2044686798 OMLLZFKQYHMWAA-JTQLQIEISA-N 410.272 1.842 30 10 HDEE CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CC2(O[C@@H]1O)[C@@H]1O[C@@H]1C(O)[C@H]1O[C@H]12 2058696794 NDLASBSIMFTZFG-NTQXPTOWSA-N 421.534 1.967 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2060604024 YZQIKLOVIJIMBA-LLVKDONJSA-N 414.304 1.843 30 10 HDEE C#Cc1ccc(-n2ncc(S(C)(=O)=O)c2I)c(OC)c1 2070093695 ALNWEXUSOJRSLZ-UHFFFAOYSA-N 402.213 1.870 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCC(=O)O)s1 2124003320 YFKVJTKDSRGGEO-SECBINFHSA-N 400.482 1.960 30 10 HDEE CN1CCO[C@@H]2CN(c3ncc(B4OC(C)(C)C(C)(C)O4)cc3Br)C[C@@H]21 2172773729 FYRDLJHGASYBPT-LSDHHAIUSA-N 424.148 1.663 30 10 HDEE CC1(CNC(=O)OC(C)(C)C)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247830092 XTFUERXHMSVJBZ-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE C#CCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258177753 PJIYMJAHTRAXJX-QGZVFWFLSA-N 410.492 1.567 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281807857 TUMIGHYYDGRGJO-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](CO)[C@@H](N)C3)sc2Cl)OC1(C)C 2281969335 LHSVKRRMZZBSHC-JQWIXIFHSA-N 400.737 1.482 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281980148 IKDBSNCMBDUSRU-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE C[C@H](O)[C@H]1CCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332123 WPIPTYUKCMNGFV-GXTWGEPZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](CCN)C3)s2)OC1(C)C 2282332382 ZWQCVVZSXZKGIH-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2282341189 PADUOUNQGPOQMH-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1N 2282343642 RAOHZVFUDKVSNC-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H]2CC2(F)F)OC1(C)C 2282507373 GRFUEHHUIGFIEZ-JTQLQIEISA-N 408.301 1.907 30 10 HDEE C[S@@](=O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282511417 MEQKRGHDXWORKS-RUZDIDTESA-N 419.761 1.391 30 10 HDEE C[C@H](CC[S@](C)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602674 WERFJPIVVWMRBR-QYOLQKOISA-N 400.737 1.921 30 10 HDEE COCC1(N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282835070 ZYNABBVQAUVIQL-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CCCNC3)s2)OC1(C)C 2282855486 FLZAEEAIHYUCDK-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE Cn1nc(Br)c([C@H](O)[C@H](N)C#Cc2cccc(Br)c2)n1 2296226636 HHOZGPDFCDIMLG-ZYHUDNBSSA-N 400.074 1.753 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3[C@@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2359272814 YNYJNIPPWDOMMG-UMNHJUIQSA-N 418.777 1.587 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CF)CNC(=O)OC(C)(C)C 2365208974 FJTCRJLIZYSDBR-KSSFIOAISA-N 408.536 1.407 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2365210147 HLECKNRMWFXMMI-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367786573 IDHRLDWJUAHJNA-CABCVRRESA-N 413.565 1.877 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367795983 GXIFXGOYZWAGFB-DNVCBOLYSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCC[C@H]1NC(=O)OC(C)(C)C 2367825916 TYCBGUPESKBQPP-CLCXKQKWSA-N 400.541 1.353 30 10 HDEE C=CCN1C(=O)/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21 2377158 FBUXAVNQDAOKHL-BFWGRDPESA-N 420.537 1.978 30 10 HDEE N#Cc1cccnc1N1CCN(Cc2nc(N)nc(Nc3ccc(F)cc3)n2)CC1 96993247 MYZUKIGJDWJMQM-UHFFFAOYSA-N 405.441 1.925 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 109942641 LMOQSFDLLAXCAU-MRXNPFEDSA-N 422.532 1.070 30 10 HDEE CN(C)C(=O)N1CCC(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)CC1 109943316 KMFCRNVOEQDFMU-KRWDZBQOSA-N 415.519 1.792 30 10 HDEE C/C(Cl)=C/Cn1/c(=N/N=Cc2ccccc2O)[nH]c2c1c(=O)n(C)c(=O)n2C 263631408 XPWCVNPKXNPAAT-KZUWMJRESA-N 402.842 1.150 30 10 HDEE COCCN/C(=N/N)Nc1cc(Br)ccc1I 305938927 DSMBMFBWCWYXKJ-UHFFFAOYSA-N 413.057 1.931 30 10 HDEE COC(=O)CCS(=O)(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 404878539 LYBMZVKQFDKEMN-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1cn(CCC#N)nc1-c1ccncc1 435123002 DETGKODWUOCVJL-MKXGPGLRSA-N 423.473 1.784 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)CC1(C#N)CCCC1)C(=O)N(C)Cc1nnc2n1CCC2 480616885 WPTKIVITXDGNTJ-QGZVFWFLSA-N 422.555 1.211 30 10 HDEE CN(C)[C@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 489759339 IJXUQDVJCNEGCO-ROUUACIJSA-N 419.551 1.447 30 10 HDEE Cc1nc([C@@](C)(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C2CC2)no1 497535187 HJQZINVXLBTRRS-SFHVURJKSA-N 403.464 1.544 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc(OC)cc(C)n2)c1=O 538497935 XVVJLBGSFVDQRH-UHFFFAOYSA-N 415.515 1.387 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(OCCN3CCOCC3)c2)CCCC1 544745997 KWBAAODSRILCJH-UHFFFAOYSA-N 407.536 1.901 30 10 HDEE CS(=O)(=O)NCc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546218370 STOGGCQDYHWLIU-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1)n1cnc(C#N)n1 546674545 CXKCNGLTFZDFLY-LBPRGKRZSA-N 406.368 1.714 30 10 HDEE C=CCN(Cc1cccs1)C(=O)C(=O)NCc1cccc(N2CCOCC2)n1 553913973 SKJVRARBFSWGSW-UHFFFAOYSA-N 400.504 1.811 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 559007252 DQTYHBKPSREGRU-INIZCTEOSA-N 403.508 1.966 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)cc1 573132105 IRTMBBAEWQUIDU-FGTMMUONSA-N 404.492 1.496 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCC1 573964640 PLVICXNRHDREQK-GOSISDBHSA-N 404.536 1.497 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CN(C)S(=O)(=O)c1cccnc1 574197232 LBCDGLDVVFWFNV-UHFFFAOYSA-N 402.476 1.249 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N4CCC[C@H]4C(N)=O)CC3)cc2C1=O 588703992 YVDINMZSRIINNV-SFHVURJKSA-N 410.474 1.023 30 10 HDEE C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105797 MDEAGIBXIKAIEK-YCRPNKLZSA-N 410.478 1.103 30 10 HDEE CC(C)(C)O[C-](O)N1CCN([C-]2C#CC(N)=C=C2I)CC1 725537950 QQGGXNJEQDSJKM-UHFFFAOYSA-N 401.248 1.548 30 10 HDEE CC(C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)Nc1c(C#N)cnn1-c1ccccc1 727002455 QDZSHMSDAITTJM-KRWDZBQOSA-N 409.446 1.873 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)nc21 728830486 KZJHFMRHGUODFO-UHFFFAOYSA-N 406.446 1.943 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1)[C@@H]1CCS(=O)(=O)C1 729331846 QUIRNBYNADMKQS-GDBMZVCRSA-N 412.533 1.026 30 10 HDEE CCN1CC[C@H](CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 730937779 YCMOERVENLLZNP-WBVHZDCISA-N 406.552 1.598 30 10 HDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCN(C)CC1 733617440 HSKXDPZCCNCLCY-UHFFFAOYSA-N 421.567 1.614 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H]2CCOC2)C1=O 751683423 UBCYOMYTZWSYAL-DOTOQJQBSA-N 415.519 1.347 30 10 HDEE CC#CCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 767664498 KJICXDNSLHUJTL-SFQUDFHCSA-N 418.515 1.868 30 10 HDEE C#CCN(C(=O)NCc1cc(F)ccc1Br)[C@@H]1CCS(=O)(=O)C1 774178309 KXMTVDLLIIYPGK-CYBMUJFWSA-N 403.273 1.920 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 774237460 SVYYWNFZAKMYJZ-YSIASYRMSA-N 403.548 1.729 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C[C@H]1C 775974354 HJXUOUNRTKSTQN-LZQZEXGQSA-N 402.470 1.275 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)c1c(N)cccc1I)C1CC1 780278038 LUJPNUZIFICOJA-HNNXBMFYSA-N 413.215 1.839 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)n1 782775807 YCRLQZCHBMHCLY-NSHDSACASA-N 401.732 1.375 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)O[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 786469239 PPCFYKBDXIXOQS-QEJZJMRPSA-N 423.491 1.824 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2C[C@H](O)CC(F)(F)C2)c1 787403273 PWKPCSYKMPIHNP-QQJFDMGQSA-N 416.450 1.733 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(Cl)cccc2S(C)(=O)=O)n1 790108673 ANCVDNUJNKGGJW-UHFFFAOYSA-N 409.895 1.862 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(c3c(F)cccc3F)=NO2)n1 791018553 OXCAIKVVEHLQLS-SFHVURJKSA-N 402.401 1.963 30 10 HDEE CC(=NNC1=N[C@@H]2CCCC[C@@H]2N1)c1ccc(Br)c(S(N)(=O)=O)c1 797402339 ZBNIOLHXAHGNLJ-BETUJISGSA-N 414.329 1.681 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 799230744 VKDDBNJRLRLVPS-KRWDZBQOSA-N 402.476 1.919 30 10 HDEE Cn1c(N2CC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c(=O)n(C)c1=O 801681686 BUALELVYHBZWLB-HXUWFJFHSA-N 403.483 1.183 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 809929484 WGTPBNUUMKTKTE-HUUCEWRRSA-N 420.514 1.439 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1C#N 817230024 STIUNXWZNBYWPV-NHYWBVRUSA-N 401.444 1.603 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 916694497 IYNXOZSPDQGFOP-SFKFPXOQSA-N 408.480 1.526 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(=O)n(C)c1=O 918586980 WQBHFBGTIGXFAS-WEVVVXLNSA-N 403.398 1.795 30 10 HDEE N#Cc1cccc(OCC(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)c1 919417693 WVKNRSNVCGGBCO-UHFFFAOYSA-N 421.453 1.901 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccc(C)o3)n2N)cc1 1084178743 DRMSQHFWZGAZBP-UHFFFAOYSA-N 415.479 1.756 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)NC(C)C)n[nH]2)cc(OC)c1OC 1084306584 XHDVJEZUYADMSW-UHFFFAOYSA-N 408.484 1.893 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nn1 1124319822 RTLKLLBAZWWWBG-UHFFFAOYSA-N 405.480 1.010 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC(=O)N(c2cnn(C)c2)C1 1125052928 NOKPDMIIGTXZBA-LJQANCHMSA-N 408.506 1.625 30 10 HDEE C=CCOCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1131300342 ZFUOPSGWJDZGFP-OAHLLOKOSA-N 411.480 1.704 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCc1nc(C#N)cs1)c1ccc(S(C)(=O)=O)cc1 1134256597 WFNVKZUOOQCZPK-KRWDZBQOSA-N 406.489 1.086 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(CN4CCCCC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1134429043 MCLKJBISBWTXJL-FXAWDEMLSA-N 401.488 1.209 30 10 HDEE C=CC[C@H](CO)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1137919810 WHPOCUQZVAPOLP-LSDHHAIUSA-N 416.565 1.588 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccc(O)cc2)s1 1138091479 JDJUCEMXRMNLKK-KRWDZBQOSA-N 424.500 1.491 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1147255624 RZUSSEHUHLRWNW-UHFFFAOYSA-N 414.512 1.494 30 10 HDEE C#C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1)C1CCOCC1 1148194707 PIRFLJKBLOIBFR-XQBPLPMBSA-N 400.475 1.693 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1148491435 RVQIEIPMNPOJGQ-UHFFFAOYSA-N 410.402 1.312 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC1CCOCC1 1158447516 HJOBQAOMGBXARF-CRAIPNDOSA-N 421.519 1.269 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[C@@]2(O)CCOC2)CC1 1164580864 LCMFIMLTLQACJI-HXUWFJFHSA-N 400.435 1.680 30 10 HDEE CC#CC[C@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1164670930 AUVUZASFLGWDJH-XMSQKQJNSA-N 419.481 1.390 30 10 HDEE C=CCc1ccc(OCC(=O)NC[C@@]2(CO)COCC3(CCC3)N2C)c(OC)c1 1167204450 JBQAZYSDSWLPDD-JOCHJYFZSA-N 404.507 1.535 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C1 1194690173 GUUPLVPNHCFUQO-OALUTQOASA-N 423.966 1.962 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCN(C)CC2)cc1 1198250369 CGCFPGZMDMPDSE-MRXNPFEDSA-N 409.556 1.251 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1214150865 PUXJZOSCDGHGDY-CQSZACIVSA-N 417.915 1.810 30 10 HDEE C=CC[C@H](CO)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1219367193 VYVPZHBGLQYJPZ-HNNXBMFYSA-N 411.524 1.576 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2)[C@H]1CCCO1 1226734222 FZRPPBUKZZFKRG-OWCLPIDISA-N 421.494 1.219 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC[C@@H]3CSc4ccccc4O3)C2)c(=O)nc1O 1230335473 BQFJTDMZCHCTFK-CQSZACIVSA-N 413.459 1.330 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1286394497 OQMALPNEZGDRPA-SFHVURJKSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@](C)(O)CCOC 1286424003 QMEMJSAGAGKBCU-QFIPXVFZSA-N 410.474 1.924 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1286753096 UMFAUJISYXAWIU-UHFFFAOYSA-N 413.507 1.704 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1286837650 YSLWBSDDRDDQCP-JXFKEZNVSA-N 423.583 1.906 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1288212304 HEIBCYZTZVMOMI-SFHVURJKSA-N 412.494 1.583 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1288999814 SNBBEPRZPULHIT-DOTOQJQBSA-N 412.469 1.651 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300352850 DJNZCLFRTALNTK-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1300430727 PSDPKAAPIFXKOY-CVEARBPZSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1300502269 RRKTUCWQUZFBFR-INIZCTEOSA-N 423.489 1.936 30 10 HDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CC1 1300722210 WEZRTCDUEHRWBV-FXQLRMTLSA-N 412.560 1.832 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1301303072 TWLNKGJVERHDJE-KRWDZBQOSA-N 423.521 1.634 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)on2)CC1 1301475793 YLYZWDURNGBKGQ-WMZOPIPTSA-N 402.499 1.807 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301520166 VBDPDZVVGVFECW-UHFFFAOYSA-N 421.571 1.120 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(COC)CCC2)C1 1301566515 OPNCSTHAPRNMGN-KRWDZBQOSA-N 403.527 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1301569122 QBCRVCDSRFMMAH-INIZCTEOSA-N 408.528 1.314 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ncccc1F 1302100233 XIKIIJCNCLZIPG-CABCVRRESA-N 420.445 1.344 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 1302596796 OWLZXNFSRLZLEP-AWEZNQCLSA-N 405.296 1.860 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1302978199 HILHDLQROIFQAW-BEFAXECRSA-N 419.482 1.570 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCCCCO)CCN1C1CC1 1303005133 XYDRHSVVUIYHIW-FQEVSTJZSA-N 409.538 1.993 30 10 HDEE C[C@@H](CC(=O)NCc1nc2c([nH]1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1304056734 SNAMQHZLWAEZIJ-LBPRGKRZSA-N 401.492 1.422 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1305224285 DVMXLBYNDHQRQU-ZXFNITATSA-N 411.503 1.295 30 10 HDEE CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1312860814 HXRORTXSHIIINF-FOIQADDNSA-N 420.535 1.778 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCC[C@@H]1Cc1cnn(C)c1 1313032555 JTTSBFQVSLNBLZ-NXHRZFHOSA-N 408.510 1.713 30 10 HDEE CN1C[C@@H]2CC[C@H](NC(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)[C@H]2C1 1313425732 WEHYROYNSBLLNA-SNRMKQJTSA-N 407.522 1.898 30 10 HDEE CCS(=O)(=O)NCCn1c(CC(C)C)nnc1N(C)Cc1cccc(C#N)c1 1314556766 ICTVXCNGXMPUHP-UHFFFAOYSA-N 404.540 1.924 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@]1(OC)CCOC1 1316100818 AOLNAFLSUHVJNC-FQEVSTJZSA-N 400.483 1.821 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 1320712411 BBZUBUGPRIFXIX-NRFANRHFSA-N 423.510 1.599 30 10 HDEE C=CCn1c(-c2ccc(C)cc2C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1339541796 JBFGJEAXXLUILK-UHFFFAOYSA-N 424.549 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1358871782 KMFFGMIPNBQYMN-KBPBESRZSA-N 419.507 1.166 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1358937733 GEUNPIGPBIPABY-ZDUSSCGKSA-N 407.496 1.023 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1358983573 NOILYOORDWGIJI-INIZCTEOSA-N 424.509 1.600 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2C[C@@H]2C)n1 1359027555 NLVHSHRATIFKQB-DLBZAZTESA-N 406.494 1.874 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1359227014 RAGORIKLSBMEPS-UXHICEINSA-N 418.586 1.591 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359282961 ZEORALVJEGMZJL-AWEZNQCLSA-N 401.471 1.784 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)C1 1359320975 YJYZCCZNDAGKNJ-OLZOCXBDSA-N 403.512 1.473 30 10 HDEE C=CCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CCS(=O)(=O)C1 1359874800 BPOZIKXUEVGIGY-LBPRGKRZSA-N 413.293 1.901 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1360621587 CDEYTCCODQTQOA-AWEZNQCLSA-N 414.491 1.646 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOCC1CC1 1360683038 AXYKDUFXUHQWPP-SUMWQHHRSA-N 414.507 1.147 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccccc3Cn3ccnn3)C2=O)cc1 1448853732 YOVBEZSESASRFL-FQEVSTJZSA-N 400.442 1.729 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1455056491 OJAAKQVXPUIAFN-VFNWGFHPSA-N 424.494 1.590 30 10 HDEE COC(=O)[C@@]1(O)CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 1455195813 ZZTRTYDFWOYEQY-HXUWFJFHSA-N 405.882 1.955 30 10 HDEE Cc1ccc(C(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)cc1S(=O)(=O)NCC#N 1455868615 UBMOSCYIKMKVNR-LJQANCHMSA-N 420.491 1.148 30 10 HDEE C#CCN(C(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1)[C@@H]1CCS(=O)(=O)C1 1456088154 UYCPEOCVQBLSTH-MRXNPFEDSA-N 402.432 1.102 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 1460544911 RQCFDBDTWKQCFX-PGRDOPGGSA-N 415.490 1.723 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1c[nH]c2cc(Br)ccc12)C(=O)OC 1463600786 XDLJJCAKIYUZBN-ZDUSSCGKSA-N 417.281 1.953 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)C(F)(F)c1ccccc1C#N)C(=O)NCCN1CCOCC1 1464834290 JOVSTBASHUVGEM-CRAIPNDOSA-N 422.476 1.629 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCc2c(C)nc(-c3cccnc3)nc2O)CC1 1467990379 BIJMEMSGIQTCLY-UHFFFAOYSA-N 409.446 1.791 30 10 HDEE CC(C)(C)Oc1ccc(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)cc1C#N 1468279675 HNWKDEZLIGUSTO-QGZVFWFLSA-N 414.506 1.855 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OCC)c2ccncc2)cc1 1469085021 YQYAYAFCADTPCB-SFHVURJKSA-N 415.471 1.417 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@]1(C)C[C@H](O)CN1C(=O)OC(C)(C)C 1469875095 UBMHBDMRHOSSQJ-XGHQBKJUSA-N 403.479 1.810 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCc1c(I)cnn1C 1470008376 SWWNVELSXKNYFU-ZWNOBZJWSA-N 404.252 1.805 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCC(=O)N1CCN(c3ncccn3)CC1)C2 1471358465 QSNPVNRNEZQLHH-IBGZPJMESA-N 404.474 1.061 30 10 HDEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191890 MUNZMUWPSSMARM-YZVOILCLSA-N 411.524 1.563 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1494528861 CJGGHKLDYVXOMS-TVFCKZIOSA-N 404.515 1.010 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1507563395 HGXGCOGSIAVZJD-INIZCTEOSA-N 419.551 1.090 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCS(C)(=O)=O 1507668938 PAVVOHOFMYJLSR-UHFFFAOYSA-N 414.487 1.571 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1507684913 JISUCTQNWDGARS-KRWDZBQOSA-N 419.493 1.295 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507753007 HIWNXRQYVVWGPC-KRWDZBQOSA-N 418.611 1.632 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1507849599 ZALATNIIIUXMDO-FQEVSTJZSA-N 407.515 1.191 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1507972856 LMELSPUJUDHEFY-UHFFFAOYSA-N 401.439 1.718 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1507985609 JWMFYCHRPSDMEF-ZDUSSCGKSA-N 409.537 1.327 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1508417626 IJZMJFMNXRULFU-CJNGLKHVSA-N 405.466 1.658 30 10 HDEE CC(C)(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508694845 SBXNSTIQIDVYFO-QGZVFWFLSA-N 409.494 1.846 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1509953694 RXXKXCSFZGWOHL-LBPRGKRZSA-N 413.873 1.943 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1515797133 NIMKHGKAHHSWGS-SFHVURJKSA-N 422.493 1.718 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCCC2)C1 1516971701 BVISZWNUQAPZIG-UHFFFAOYSA-N 424.505 1.966 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CCO1 1517533618 FBHGMYASVLRXMY-ROUUACIJSA-N 408.462 1.113 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@](C(N)=O)(c4ccccc4)C3)cc2C1=O 1525464002 MWGQFOFNUMYAFE-QHCPKHFHSA-N 403.438 1.738 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(=O)OCC)c(C)[nH]2)c1 1528412370 ONAHSEFDSPMUPW-UHFFFAOYSA-N 423.469 1.987 30 10 HDEE C#CC1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1530079031 CMHSTAFISOPWAE-MRXNPFEDSA-N 405.476 1.867 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1531945259 DTORLFUECYPPEK-BTYIYWSLSA-N 417.462 1.395 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2cc(F)ccc2F)n1 1536179353 HWGGQNWCGCVLOI-VOJFVSQTSA-N 406.414 1.376 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)cc1 1539093595 AQEDIUAUTWVZCM-OAHLLOKOSA-N 405.524 1.947 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539155172 PMCBTNFMYPOVFH-AWEZNQCLSA-N 407.927 1.949 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539195193 PQIOKTCIWZLSKR-SFHVURJKSA-N 424.910 1.130 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(SC)CCC1)[C@H]1CCS(=O)(=O)C1 1539221539 POOLYBQUGKUAQO-CVEARBPZSA-N 424.592 1.694 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1539368966 FXGIAOSIIZEFII-FUHIMQAGSA-N 422.551 1.368 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1540198534 LKRRJKVGFLZITJ-MRXNPFEDSA-N 413.482 1.270 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2[nH]1 1540869195 FGIWCQYXPSMFOB-QGZVFWFLSA-N 407.478 1.649 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1543734076 CZRODLNNYGAXRA-JONQDZQNSA-N 406.483 1.825 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1545928705 HWFIYGLMJPRMEA-AEFFLSMTSA-N 417.558 1.657 30 10 HDEE CCCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1547255889 CKAVNRPNFURGMA-PBHICJAKSA-N 412.450 1.046 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CC(F)C1 1554504368 CBCPKPXZLBTQOQ-UHFFFAOYSA-N 406.487 1.550 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(N)=O)cc1 1555637952 YXIKBYODHNCDPI-VBKZILBWSA-N 416.457 1.591 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555775104 ZITCUMJKMBJACR-MEUCICPISA-N 423.477 1.400 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H](CCO)c2ccc(Cl)c(Cl)c2)c(=O)nc1O 1556540716 GSNMVMHPGWWCOO-CQSZACIVSA-N 411.245 1.757 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1556737741 MYCDNHSVUOBXQC-CHWSQXEVSA-N 409.936 1.515 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1556806255 IGRYMFPKIRPZOW-IRXDYDNUSA-N 420.514 1.911 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CCOCC1 1557382692 DZLTYYFPWKEZAQ-UHFFFAOYSA-N 407.536 1.538 30 10 HDEE Cc1cc(C(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)c(C)o1 1559498162 YNADUIBPNAUZPR-UHFFFAOYSA-N 405.454 1.954 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@H]3CCN(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1565053224 ZVDKMKHEYRLOOH-ZRGWGRIASA-N 422.938 1.746 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1565595956 HIEUSEXBDBOQRN-QGZVFWFLSA-N 410.559 1.905 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1568429663 WVGMXYSIILVCKC-JKSUJKDBSA-N 413.540 1.320 30 10 HDEE COC1([C@@H](C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOCC1 1584140431 UKDVLJXLBJXAGR-PBHICJAKSA-N 414.462 1.464 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2Cc2cnn(C)c2)cc1 1584853914 USPYBCWFACMICF-PKOBYXMFSA-N 400.504 1.473 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1587567859 KZSNRECINNXECB-QRWLVFNGSA-N 401.515 1.783 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC=C 1587580515 QJYLDOHZRHYEBZ-AWEZNQCLSA-N 413.478 1.731 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1587598904 IJEMDWLRKWUAIM-AWEZNQCLSA-N 416.493 1.777 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1587754394 CMJLECKASMFSRO-UHFFFAOYSA-N 402.524 1.534 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1588054747 PQJCNWYSTKQKPL-FGTMMUONSA-N 420.535 1.144 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(C(F)(F)F)cc2)CC1 1588199729 XDIWAKGPDVNDIC-CYBMUJFWSA-N 419.425 1.085 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1588646131 GXMFGEYLLWGMOU-OALUTQOASA-N 405.543 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(F)c2)CC1 1588749812 AJORMYKRCGWEET-KRWDZBQOSA-N 401.486 1.945 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1588811242 DFAAEMATAGHMEI-KRWDZBQOSA-N 411.554 1.444 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C[C@H]3CCCO3)C(=O)OC)ccc2c1=O 1595339143 OXBGRKXOZXYCNL-CJNGLKHVSA-N 417.487 1.712 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1595550842 ITXCLTZKYUBUDA-QAPCUYQASA-N 415.469 1.801 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCn2ncc(I)c2C1 1597345007 WNORYYLYEODRHD-GFCCVEGCSA-N 402.236 1.301 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1598358546 XETUIYZSYKFIQO-HNNXBMFYSA-N 416.521 1.731 30 10 HDEE Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1611875674 BDNVYPTUTMYXIL-BLLLJJGKSA-N 424.556 1.227 30 10 HDEE CCc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)cs1 1613886918 QUPZYSZOHHRZTN-LBPRGKRZSA-N 423.568 1.695 30 10 HDEE CC[C@@H](C#N)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1617460457 DDTXYUOSGSJJHG-HNNXBMFYSA-N 409.508 1.770 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 1619452449 WYKHAJIKHRIEAK-IEZWGBDMSA-N 401.463 1.652 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)C1CN(C(=O)c2ccccc2)C1)C(=O)OCC 1622449274 OWYQTBPYZSOMHN-HNNXBMFYSA-N 400.884 1.505 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1 1622886856 WFJLMEVAJRQYJE-SFHVURJKSA-N 422.551 1.556 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CO)Cc3ccccc32)s1 1628231998 BBXOQGNBUVRCHD-CQSZACIVSA-N 406.529 1.953 30 10 HDEE COc1c(Br)ccc(F)c1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1628385801 FBVPUYUASZXOPR-SSZFMOIBSA-N 412.215 1.853 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1 1629338287 AUGZAJHYJRWHPP-UHFFFAOYSA-N 418.475 1.820 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCS(=O)(=O)[C@@H]2COCC[C@@H]21 1629566851 LABQHZATVOLCJU-MAUKXSAKSA-N 408.476 1.140 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)C(=O)OC 1629617450 PQJGZZLCXXAJSS-SWLSCSKDSA-N 407.264 1.792 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)C(=O)OC 1629617451 PQJGZZLCXXAJSS-WFASDCNBSA-N 407.264 1.792 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnn3c2NCCC3)c1 1630351255 JSBPXAFVJIIZHK-JWGURIENSA-N 402.480 1.764 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCOc1ccc(S(C)(=O)=O)cc1 1632218805 KRECOJMSYFIUBK-LJQANCHMSA-N 402.472 1.923 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1637438751 CFXIQRBRMWAUII-VJUNAUMWSA-N 401.488 1.631 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c1 1637915512 DMHXRJJLQIIMPZ-AZUAARDMSA-N 401.484 1.698 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2ccc(C#N)s2)C1=O 1639431695 WSTWGRWKIFBBQJ-HNNXBMFYSA-N 406.508 1.999 30 10 HDEE CNS(=O)(=O)NC1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 1639906748 DDERFXUKKZAAEB-UHFFFAOYSA-N 411.553 1.015 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)CN3CCCCC3)C2)C1 1640490409 ASFIDOPDTXFPNI-RKQJOMJXSA-N 420.554 1.736 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC(C4CS(=O)(=O)C4)C3)C2)C1 1641164237 AOXPPRBZVLWOJK-FOCKTWCOSA-N 423.535 1.276 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@@H](O)[C@H]1CCCO1 1641442032 KFUWZVHGTUHQAI-ZIAGYGMSSA-N 413.268 1.754 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1641718722 FSHKDLZNFPWKJB-ZWKOTPCHSA-N 424.542 1.523 30 10 HDEE CN(CCS(=O)(=O)c1cccc(C#N)c1)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1644171370 AYDVUKWNVMNCAK-INIZCTEOSA-N 411.524 1.492 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1 1644285617 SMGYJJMNJOYRBU-UHFFFAOYSA-N 418.906 1.627 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CC[C@](C)(C#N)C3)CC2)cc1 1647827704 FSDLQUJOMOSLHE-FXAWDEMLSA-N 404.536 1.452 30 10 HDEE COC(=O)[C@@H]1c2ccccc2OCCN1CC#CCN1C(=O)c2ccccc2C1=O 1648519662 BCUMTFHGPLGIDW-FQEVSTJZSA-N 404.422 1.895 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC#C[C@H]1CCCCO1 1648586780 SLFQBWODBCMLRQ-AEFFLSMTSA-N 417.531 1.973 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@@H]1C(=O)OC 1648605538 XWZVHDDSIRKMOU-HDICACEKSA-N 401.463 1.444 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(C)c(C#N)cn2)CC1 1653737785 QYMQFYYMSUWNRD-NRFANRHFSA-N 405.502 1.767 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2cccc([C@H]3CCCC(=O)N3)c2)c1 1654823360 BLNKBGBRJCTCIF-GOSISDBHSA-N 412.471 1.816 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)C1 1655010448 XHKOHEZQUHLVQW-YCRPNKLZSA-N 400.479 1.782 30 10 HDEE CO[C@@H](CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 1655204313 ARGNLBCAFCMNAZ-OALUTQOASA-N 405.520 1.784 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)CC1 1656298453 KRQRYRHWPBVWGJ-GOSISDBHSA-N 414.531 1.795 30 10 HDEE C[C@](O)(CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1657749464 FGHMZRITOCCYHI-FQEVSTJZSA-N 403.479 1.911 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(CCCSCC#N)CC2)CC1 1659502315 JHXJPDMGXNFFHZ-UHFFFAOYSA-N 411.572 1.924 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)CC1 1671881002 ZQRPVRHWXUACEK-NTFDOXNWSA-N 413.522 1.884 30 10 HDEE C=CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H](C)COC 1672014678 BNDMVNTZQIKPOQ-GFCCVEGCSA-N 407.895 1.990 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCCCN2CCO)CC1 1680304656 VVZYADVHTASHLR-XBMUEBEBSA-N 401.511 1.789 30 10 HDEE CO[C@]1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCS(=O)(=O)C1 1681805602 TYWCOKUWLOFAAN-RJYAGPCLSA-N 422.507 1.146 30 10 HDEE C#CCCCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1685615206 IVHLLPBFLLEVPU-UHFFFAOYSA-N 422.551 1.250 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3sccc3Br)C2)c(=O)nc1O 1687441532 PTKJVCAJUYBZGK-UHFFFAOYSA-N 424.280 1.454 30 10 HDEE C#CC1(NC(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 1687572417 MSQAXJIJIDHQLG-OAHLLOKOSA-N 413.540 1.656 30 10 HDEE C[C@H]1CCCN1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1687760671 HWXNYANQGTUZNX-INIZCTEOSA-N 405.524 1.058 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1 1689907694 ILAKDYUJYXKOLU-UHFFFAOYSA-N 402.543 1.475 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1689986074 IDDTWFGTHUQYLP-GOSISDBHSA-N 414.535 1.063 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC1(F)CCC1)[C@H]1CCS(=O)(=O)C1 1689989338 DLPHCCVYDKJLDI-HOTGVXAUSA-N 410.515 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cn(C2COC2)nn1 1690006576 UAVJXUZVCIZUNN-UHFFFAOYSA-N 418.417 1.137 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1690042024 QTOFKVZKXRQNQR-UHFFFAOYSA-N 405.550 1.829 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCNC(=O)c1occc1C 1690043098 OUJSDSBCMZCHBV-UHFFFAOYSA-N 417.473 1.920 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1690105158 VPCKASUVFPEWOY-DLBZAZTESA-N 409.556 1.131 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(COC)c2)CC1 1690120429 UPYSQSWUDVUMQB-UHFFFAOYSA-N 403.490 1.685 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1690673028 LREVBDNZNHGOJT-OAHLLOKOSA-N 400.458 1.012 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690742278 LMFRTSPZLYPQEZ-CVEARBPZSA-N 420.583 1.891 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H]1CC[C@H](CO)O1 1693508717 DWNXZWTVSQATTC-DLBZAZTESA-N 416.913 1.978 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1697786347 MTCQJYDDWLDPTF-OIISXLGYSA-N 403.414 1.275 30 10 HDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@@H]21 1698280035 XQWSYDSNKTYAIM-FGTMMUONSA-N 415.519 1.723 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1 1698309657 SPGWGULARKZKLZ-UHFFFAOYSA-N 421.498 1.885 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1C[C@@]1(O)CCOC1 1705579535 XLHQAGBEEAYFQH-IBGZPJMESA-N 415.291 1.932 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2noc3c2CCCC3)CC1 1705632234 JWUFXFDSURDXPR-UHFFFAOYSA-N 411.510 1.087 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCS(=O)CC1 1705666540 VPSAXRVUMBUOAH-UHFFFAOYSA-N 420.560 1.801 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1705737328 OKVGVNCKOYVAAD-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1705832111 NDVAHZGCBYFRCJ-AWEZNQCLSA-N 417.432 1.761 30 10 HDEE Cc1cnn(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)c1 1707708698 CQTNAQRIZSMHRJ-INIZCTEOSA-N 422.493 1.634 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1722369465 ZQXZGFNWGUZGPF-SQNIBIBYSA-N 420.535 1.839 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCO[C@H]1C(C)C 1722419098 NNDOROUOAZBMMX-MSOLQXFVSA-N 403.527 1.661 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(OC)CCOC1 1722423741 NHVMMGIEHZUSRD-IBGZPJMESA-N 405.886 1.885 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722439884 SYSJVXIGEWLAQR-WOJBJXKFSA-N 410.522 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)C(C)C)CC1 1722447648 KZSUTACQSYJJKO-GCJKJVERSA-N 417.554 1.893 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCS(C)(=O)=O)CC1 1722583894 WFZVLQPMYCWGNW-OAHLLOKOSA-N 416.569 1.017 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@](C)(OC)CC1 1722691833 AOUYSCQPBNOWLB-OAQYLSRUSA-N 420.558 1.894 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccn(C)n2)C1 1722708862 FECINHRRYXNFFE-QGZVFWFLSA-N 401.515 1.760 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1722736676 FCQAPYPIRXQKJQ-IRXDYDNUSA-N 423.539 1.343 30 10 HDEE CC1=CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1724894616 MGAWANGKRVRKML-VLGSPTGOSA-N 413.482 1.099 30 10 HDEE C[C@@H]1COCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1726749350 SQPLSWUKCCCDTM-MGPWXQLLSA-N 402.499 1.618 30 10 HDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1730704937 MOFFWRRXLVUSCF-UHFFFAOYSA-N 424.509 1.030 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccco1 1730953749 AHAJQACKPUFUER-MQJTVSLUSA-N 417.466 1.232 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2CCOC2)C1 1730998732 QJOWOTAEHFHOOZ-MAUKXSAKSA-N 415.519 1.867 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1740591595 PMQOHTCFHYQYJT-QGZVFWFLSA-N 404.492 1.685 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCNC(=O)C(C)C 1740602886 YMTNXAXLRSHHHO-UHFFFAOYSA-N 415.494 1.813 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1740612059 CPRFTVWGEVFJQG-UHFFFAOYSA-N 407.522 1.433 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1740638777 PTLQKQKXIFOQKS-IBGZPJMESA-N 420.517 1.525 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCOC[C@H]1C 1740645851 SYKAOTORSWWPNK-VAMGGRTRSA-N 413.566 1.990 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1740695328 NKRYCODYKPXOLA-QUCCMNQESA-N 411.554 1.885 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1740701119 VFLRMBXSTQKOLQ-SLFFLAALSA-N 416.570 1.384 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740843441 HYSBFXUSEUNDOK-HZPDHXFCSA-N 406.531 1.818 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1741113301 CQARCYZAMZCLOK-KRWDZBQOSA-N 409.494 1.435 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1741123949 CIUMLCIZSFFPBU-CLLBMXBRSA-N 424.571 1.425 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1741127794 IWWZRAUBCDCESB-AWEZNQCLSA-N 417.901 1.838 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1741654555 BXENXAQHGAYQFQ-HNNXBMFYSA-N 401.515 1.461 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1741802852 LRSWZZMSDDOPMU-OWCLPIDISA-N 417.539 1.378 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCCOC2)n1CCCn1cnnn1 1747731681 XNTRRZBMNOHYJZ-GOSISDBHSA-N 407.482 1.757 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1748639354 FZHMZSQZLJWPQM-BHEGOAEISA-N 411.572 1.942 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1748729906 FKDUACCDPUHLHV-RZQQEMMASA-N 404.467 1.848 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(S(C)(=O)=O)CCC1 1748835461 DFOJBFPXVRDLOJ-UHFFFAOYSA-N 412.515 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1c(CC)nn(C)c1OC 1748853121 UWZPRVLBWDEOLS-UHFFFAOYSA-N 403.490 1.690 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H](O)C1 1748949445 ANKITYROQSVVLO-WFXMLNOXSA-N 406.527 1.567 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCCCC2)CC1 1748973008 UYJIDXGCTIKWHL-UHFFFAOYSA-N 423.521 1.376 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCC2(O)CCOCC2)CC1 1748983778 CSVCHZMKVNPXRC-UHFFFAOYSA-N 409.534 1.940 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1749033268 CKWZYFCIEYMWIJ-APWZRJJASA-N 416.595 1.511 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749098284 VIFWGAXSMIFNLT-SXBYAPGRSA-N 410.316 1.735 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1749506188 FIHMPTONJBNJQO-HKUYNNGSSA-N 411.506 1.959 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCCNC(=O)OC(C)(C)C 1750058928 JSPQTNJBRPOIBK-CQSZACIVSA-N 407.519 1.927 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCOCC3)n2C[C@@H]2CCCS(=O)(=O)C2)c1 1750381782 DXOOSRMDLNIZRX-INIZCTEOSA-N 401.492 1.478 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1760113567 ACPNFJGQLJDTNY-QFBILLFUSA-N 403.490 1.980 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1760174681 GZLTWWIBCNXIIE-OAHLLOKOSA-N 402.476 1.069 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1760182025 ARUGOJVBXAPKAD-MRXNPFEDSA-N 414.491 1.255 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(O)CC(OCC)C1)[C@H]1CCS(=O)(=O)C1 1760190237 ZEAQOHPMVPMDIF-VXESANQCSA-N 422.551 1.102 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(C)(C)O 1760216552 RUGXXPFMUNIOOY-UHFFFAOYSA-N 418.501 1.909 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2nsnc2c1 1760217453 BNAKEOVPOGHGTG-INIZCTEOSA-N 405.487 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCS(=O)(=O)N1CCSCC1 1760219290 AENDCFRANKWSIT-UHFFFAOYSA-N 423.608 1.318 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](C(CC)CC)N2CCOCC2)CC1 1760261446 LTUUSTVVGRZWMW-HXUWFJFHSA-N 402.587 1.733 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OCC)CCOC1 1760328197 RXAUDGCFKDHTCK-MMOPVJDHSA-N 419.526 1.238 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCCC[C@H]2C1 1760366740 IDWULMSXRBRUTQ-KGLIPLIRSA-N 402.952 1.315 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCNS(C)(=O)=O)C1 1760544798 HKGOBYPSJWMLPK-MRXNPFEDSA-N 420.539 1.369 30 10 HDEE CNS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1767844213 GFBUZAPVHVPXBC-UHFFFAOYSA-N 417.539 1.149 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1769236621 AENRTGJTGGCIKP-SFHVURJKSA-N 410.478 1.289 30 10 HDEE C=CCCCNC(=O)CN(C)S(=O)(=O)c1ccc2nc3n(c(=O)c2c1)CCC3 1850940975 VJRMKGRBIAGRPH-UHFFFAOYSA-N 404.492 1.046 30 10 HDEE CC(C)(C)[C@@H](C(=O)N=c1[nH]n(-c2ccccc2)cc1C#N)N1CCS(=O)(=O)CC1 1851180704 KPQFFSFKDDYRGG-QGZVFWFLSA-N 415.519 1.249 30 10 HDEE C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851207622 YBFMNWGDJICWBI-MRXNPFEDSA-N 424.457 1.815 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)C1 1851793508 OFYBHWMEBHDFBM-GJZGRUSLSA-N 404.423 1.253 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cc2ccc3c(c2)NC(=O)CO3)CC1 1852572255 JSUKCNXQOLAALB-UHFFFAOYSA-N 421.457 1.192 30 10 HDEE CC(C)[C@@H](C(=O)N1CCC(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852735637 UBIBEZGNQIVPDB-IBGZPJMESA-N 404.536 1.414 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CN([C@H]3CCN(C4CC4)C3=O)c3ccccc32)ccn1 1854016386 CTALZOKSAQSQOX-IBGZPJMESA-N 401.426 1.710 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cncnc4)C(=O)C3)C2)c(F)c1 1854165104 YFIZRPSOVYMODS-SFHVURJKSA-N 408.437 1.046 30 10 HDEE CCOCC(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CCC1=O 1854367581 VZUSPFCYYBQLGP-SFHVURJKSA-N 418.538 1.262 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854738139 NMFHEMGYHVANGZ-MRXNPFEDSA-N 417.487 1.001 30 10 HDEE C[C@H]1CN([C@@H](C)CCC#N)c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C1=O 1854894308 IPYIVMBAFURIHC-HOTGVXAUSA-N 418.519 1.730 30 10 HDEE N#CCCCN1CCN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)C(=O)C1 1855489868 WECPMVRQFRHOFI-UHFFFAOYSA-N 406.368 1.874 30 10 HDEE CC(=O)N1CCC[C@H]1CN1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc21 1855758334 ZSCLRFFSRXASJM-SFHVURJKSA-N 403.442 1.958 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3cccc(Cl)n3)C2)C1 1856410879 RZDQBKZBSURFJL-CYBMUJFWSA-N 411.849 1.754 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)cc2n1C 1856531781 LGDAFHYNBBNIJM-NVXWUHKLSA-N 407.474 1.244 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cccc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857068978 SHLOQMMCWXAOBL-UYAOXDASSA-N 413.518 1.722 30 10 HDEE CN(C[C@H]1COCCO1)C[C@H]1CC(=O)N(C(=O)c2cc(CC#N)ccc2Cl)C1 1857225370 CNLVOHPKXBUVBO-CVEARBPZSA-N 405.882 1.742 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(c3nc(O)c4cc(C(=O)O)ccc4n3)CC2)c1 1858570316 NVGXYWJOAPQKPG-UHFFFAOYSA-N 403.398 1.868 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1 1870143850 FMIIRRBZJALZIW-UHFFFAOYSA-N 416.397 1.691 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(N)=O)CC2)[C@@H]1c1ccc(C#N)cc1 1889272665 JRRCHONOAYZISF-OALUTQOASA-N 414.531 1.676 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@](F)(C(N)=O)C2)[C@H]1c1ccc(C#N)cc1 1889291157 HWEBBZZOLOEDFB-FUHIMQAGSA-N 418.494 1.378 30 10 HDEE C[C@@H](C#CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 1902008716 YOQZVGCJQQAUHM-NSHDSACASA-N 422.316 1.114 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@H]1CNC(=O)OC(C)(C)C 2174779426 JENLMLYHIYUYOU-BZUAXINKSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CC(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174785366 YHEBTKZAFWBENT-UHFFFAOYSA-N 404.508 1.699 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)C1 2193223558 FPKUKLBGGJGAJN-ARFHVFGLSA-N 402.442 1.729 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC(C2(NC(=O)OC(C)(C)C)COC2)CC1 2200651306 WLSMXXDBUDJBMY-UHFFFAOYSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243673985 CYDHFSBXTYGPCF-HUUCEWRRSA-N 408.304 1.355 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247837485 SPGKYGSAOBRMQX-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CN(C)CCONS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352025 AIHKBDIDWIQXSS-UHFFFAOYSA-N 410.754 1.472 30 10 HDEE CO[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CSC 2267379294 QNKFFFIMRQLJEM-LLVKDONJSA-N 407.388 1.704 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@]3(C#N)CCSC3)c2)OC1(C)C 2267712162 CHULYTBEJAMBNX-OAHLLOKOSA-N 400.356 1.725 30 10 HDEE CNS(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281973244 RZQUFXYSPKHLGW-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN(C)C1 2282319941 BDDQYDBNDJQOOP-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N)[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322757 QJPZHUFVMCEDJM-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C=C(CS(=O)(=O)N=[S@@](C)(=O)C[C@H](N)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282418885 LIWYHHNEZGITIR-CANCMXDXSA-N 408.395 1.975 30 10 HDEE C[C@H](CC(C)(C)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282490103 GMYKLHPERUKZEG-LLVKDONJSA-N 404.363 1.411 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282510651 BPTGVOSKTLUMGS-VWLOTQADSA-N 401.359 1.126 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[S@](C)=O 2282835725 YEBIGWIOIDCRQC-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE CN([C@H]1CC[C@H]1N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282838339 MYFSNNKMRTXLDU-KGLIPLIRSA-N 400.737 1.749 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCCN1 2282843520 OVTHHUDRDJUGGV-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1(CO)CC1 2282845618 WPXRYDWDALWDIR-GFCCVEGCSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H](N)CC3)s2)OC1(C)C 2282850837 UDVVMLBVZVXALR-OLZOCXBDSA-N 400.375 1.986 30 10 HDEE CCN(CCOCCO)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853604 GJQIVECYYIRQNU-UHFFFAOYSA-N 405.347 1.067 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H]2C(=O)O)OC1(C)C 2284397873 RCZGFEHOXWEJEP-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)s2)OC1(C)C 2284399998 QLZMMUGIBWBXTF-QMMMGPOBSA-N 411.257 1.434 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@](NCC#CBr)(C(=O)O)CO2 2305997061 ZHKVEWRKKNKIHI-HZPDHXFCSA-N 403.273 1.555 30 10 HDEE C=CCOC[C@@H](O)Cn1c(NN=Cc2ccc(C)cc2)nc2c1c(O)nc(=O)n2C 2328607754 SBKDUXLFHDRJHP-HNNXBMFYSA-N 412.450 1.154 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)C2(O)CCC(NC(=O)OCc3ccccc3)CC2)CC1 2342062487 YSAVUSFTBZLQBK-WBTXTPOCSA-N 420.531 1.494 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@@H](O)c1nn(C)cc1I 2363673033 JRCYONPIKFLMSD-GXFFZTMASA-N 402.261 1.463 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2363987932 OUERMEQBNXRIGU-KBXCAEBGSA-N 413.565 1.727 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365211543 MINIKUPSACCFMD-MDASCCDHSA-N 402.557 1.586 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CNC(=O)OC(C)(C)C)C(C)C 2365214114 ZSRNDQWCRVFGEA-KXBFYZLASA-N 404.573 1.703 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367789246 RRRUAMAYCKBLTO-ARFHVFGLSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(CNC(=O)OC(C)(C)C)C1 2367815354 DSQMJLBEUZCBRI-XAUUPUKJSA-N 400.541 1.211 30 10 HDEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2nc(C)cs2)n1N 21319801 PUHBUKZNEPBYFD-CNHKJKLMSA-N 418.508 1.942 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 27902212 ADMKSBJKZWFZMU-SJORKVTESA-N 418.538 1.189 30 10 HDEE COc1cccc(CN2/C(=N\C(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 102618308 PWFODRFQFCSELM-KYRFCDFJSA-N 410.517 1.471 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C[C@@H]3CCCO3)C3CCCC3)CC2)o1 302975188 CBKYWECDHVEBRN-SFHVURJKSA-N 401.511 1.927 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc21 427291907 LCTIRNQKEDHYNH-UHFFFAOYSA-N 416.441 1.092 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)Nc1cccc(F)c1 479822007 ICROYELCNQJOPB-CYBMUJFWSA-N 418.450 1.461 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 483099850 FKGCDQBDZDITEW-CABCVRRESA-N 424.486 1.683 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1COc2ccccc2O1 484626419 IXRZNAAJLNNJCD-HOCLYGCPSA-N 415.471 1.571 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 489441763 RTGZCVVDHOFZAF-HNNXBMFYSA-N 400.508 1.146 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)c1 500549249 MHXMMHLGPTUOEY-UHFFFAOYSA-N 402.414 1.525 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)Cn3c(O)nc4ccccc4c3=O)C2=O)cc1 505662469 WUUVNKIUPTUIFO-SFHVURJKSA-N 417.425 1.286 30 10 HDEE C=CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 513044942 AACPZWDFPDWKBR-UHFFFAOYSA-N 423.538 1.847 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H](C)CN3CCOCC3)c(C#N)c2N)cc1 541248975 IDOIFYGMUXVIAL-QGZVFWFLSA-N 410.522 1.652 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cnn(CC(=O)NC4CCCCC4)c3)CC2)n1 546196983 CWXMZIFXDKPVND-UHFFFAOYSA-N 421.505 1.561 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCNCc2cccc(C(=O)N3CCOCC3)c2)c1 554798043 NVBZATSHXOOFOY-UHFFFAOYSA-N 413.499 1.594 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1cccc(Br)c1C#N 561541996 BJGVRCOQLUDZJY-IINYFYTJSA-N 405.314 1.757 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCC1 574962520 SDJNSFAQNBBNJW-UHFFFAOYSA-N 409.892 1.371 30 10 HDEE N#Cc1cc2c(nc1N1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCOC2 585606091 OTSQISXBEAPZLG-UHFFFAOYSA-N 400.442 1.781 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@@H](C(=O)/C=C/c2ccccc2)C1 585824688 XIAMBCNGGIYGGC-DWWIYJRSSA-N 417.465 1.802 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(CN(CC)CC)c2)CC1 604169826 UBUJYIRODGPHTL-UHFFFAOYSA-N 401.555 1.658 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 609507776 SRHDFGZBCKSNEG-IEBWSBKVSA-N 423.535 1.566 30 10 HDEE CCn1nc2c(cc1=O)CN([C@@H](C)C(=O)N(CCC#N)c1ccccc1OC)CC2 610283600 IORCMANEXYVRBR-INIZCTEOSA-N 409.490 1.965 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)c3ccc(COc4ccccc4C#N)o3)CCN2C1=O 610584186 BUDQLNDFIIZFPX-INIZCTEOSA-N 408.414 1.839 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 612201938 DLFHJUPEMQIIGJ-UHFFFAOYSA-N 412.454 1.057 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 619742874 ZOBGISLFSCPVIJ-MRXNPFEDSA-N 411.466 1.616 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CC(C)(C)C)CC1 669806730 KMKALEQLBGDVLA-HNNXBMFYSA-N 409.556 1.451 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)O)C2)cc1 679097950 WFIQVSAYNJVDFN-GOSISDBHSA-N 400.456 1.975 30 10 HDEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664556 LMYDYLINOQXGNE-CMPLNLGQSA-N 411.325 1.828 30 10 HDEE N#C[C@H](C(=O)/C=C/c1ccc(Br)o1)C(=O)N1CCS(=O)(=O)CC1 732911220 YBUGPAFYJFYVNQ-JHSHHRBUSA-N 401.238 1.021 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 734273917 QFCPZZHOJDWQCP-INIZCTEOSA-N 415.494 1.334 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CSc1nnnn1CC(F)(F)F 734291247 KUXSSQRKYSNYMQ-UHFFFAOYSA-N 420.398 1.013 30 10 HDEE C[C@@H]1CN(c2ccc(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)cn2)C[C@@H](C)O1 735848380 JSTQUFHSLNSVAB-JZWCPIJFSA-N 413.478 1.228 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)OCCNS(=O)(=O)c1cnn(C)c1 744838859 FMGZRWNZBUVTOT-KRWDZBQOSA-N 406.464 1.217 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 749892351 AMAGVBYVEJXZJG-DZGCQCFKSA-N 421.276 1.860 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 750431730 XJPMELTUMZJNPR-UHFFFAOYSA-N 408.414 1.901 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2ccc(SC(=O)N(C)C)cc2)C1=O 752542980 CFAFKXCXFFJSQT-UHFFFAOYSA-N 405.432 1.480 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H]3CC[C@H](OC)C[C@H]32)ccc1F 755154550 AEUMSIAXKYLPSU-USXIJHARSA-N 412.483 1.699 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n2)CC1 756919382 CZRMEOBBYJJEDK-NVXWUHKLSA-N 414.510 1.322 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)cc1 762549549 SVVIYBBWVJHERM-HXUWFJFHSA-N 411.527 1.945 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)C[C@@H](NC(C)=O)c1ccccc1 766986158 CCGJCHMLPZREIH-MRXNPFEDSA-N 401.444 1.639 30 10 HDEE Cn1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C1CC1 771206927 YIASGUIBWOKCRW-UHFFFAOYSA-N 414.491 1.708 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C)nn2CCC#N)C1=O 771297082 PPELUOJMTFUJKQ-NRFANRHFSA-N 424.461 1.828 30 10 HDEE C#CCN(C(=O)NCCOc1ccccc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774209358 OTNWQBDUABKTND-CYBMUJFWSA-N 404.410 1.916 30 10 HDEE C#CCN(C(=O)NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1 774216622 BQGWPWYWDPJUSY-AWEZNQCLSA-N 408.867 1.722 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 788107394 RMAIZTDYNYWCLX-HOCLYGCPSA-N 417.514 1.299 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C)nn2C2CCN(C)CC2)n1 788628590 WPABZBVTFAUGNR-UHFFFAOYSA-N 413.526 1.968 30 10 HDEE CCC[C@@H](CCCS(C)(=O)=O)C(=O)NS(=O)(=O)Cc1ccccc1C#N 789389599 RMJFHPWIVAHCCI-AWEZNQCLSA-N 400.522 1.745 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCCOC2)C1 807896569 SKLVFEOSFCZGKE-INIZCTEOSA-N 405.520 1.923 30 10 HDEE C#CCCCS(=O)(=O)N1CCCC2(CCCN(S(=O)(=O)CCCC#C)C2)C1 809863722 SDAQXGNQRAIOPE-UHFFFAOYSA-N 414.593 1.651 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 809907208 BPCBZQBNDQEAIA-INIZCTEOSA-N 412.494 1.948 30 10 HDEE CC(=O)N1CC[C@H](CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 819888188 VNFMVSLZITZCQI-WBVHZDCISA-N 420.535 1.124 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)cc2C1=O 856605894 ZFJAVZYLLQZGML-DLBZAZTESA-N 418.453 1.459 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192984 TZOKOHRNUNULQK-IIBYNOLFSA-N 423.558 1.440 30 10 HDEE COCCn1cc(C=NNc2nc(SCCC(=O)Nc3ccccn3)n[nH]2)cn1 1083936839 KZUKVIWNPUWFAF-UHFFFAOYSA-N 415.483 1.610 30 10 HDEE N#CCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)n1 1132801214 KVVFCSOZHRFROT-UHFFFAOYSA-N 404.423 1.560 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ncccc2Br)cc1 1135141449 CETCEFRQSMLNDJ-UHFFFAOYSA-N 423.292 1.966 30 10 HDEE COC[C@H](O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1138030227 XHRLBBQRZUXVGP-AEFFLSMTSA-N 403.479 1.906 30 10 HDEE COc1ccc(-n2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)cc1 1138110030 LNLLUZFOBICVNZ-CJNGLKHVSA-N 412.450 1.765 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)CNc1ccc(C#N)cc1 1147633511 RGPQQNYWIZPGQH-HXUWFJFHSA-N 404.467 1.085 30 10 HDEE COCc1nn(C)cc1C(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1148731541 DGBHTEBEUUYBGU-UHFFFAOYSA-N 407.478 1.877 30 10 HDEE C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159491650 ZGOWDNRFCIUUAM-NSHDSACASA-N 400.822 1.766 30 10 HDEE C#CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1176287048 AEMDVAGZFQHYFP-UHFFFAOYSA-N 423.535 1.388 30 10 HDEE C#C[C@H](NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12)C(C)(C)C 1190910598 OXDVLQDXNIBCPL-JTQLQIEISA-N 401.286 1.827 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCCCC2)c1 1275548844 ALBZLMRJUOQWFW-KRWDZBQOSA-N 406.504 1.734 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(=O)NCC)c1 1286271608 UFKNXAFKIMQGJA-INIZCTEOSA-N 408.506 1.770 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1286322351 ABIAVTXBYIKGHM-UHFFFAOYSA-N 421.523 1.680 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCNC(=O)c1ccco1 1286465463 NYSCMNIXRWMYEJ-INIZCTEOSA-N 401.467 1.629 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1286471624 OXYFOOBFOFHOFY-ZWKOTPCHSA-N 402.543 1.330 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](OC)C(C)C)CC1 1286472854 LYBDGLPXECSITF-UGKGYDQZSA-N 419.570 1.745 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCS(C)(=O)=O)CC1 1286474120 BCROOOMHJCUCPD-UHFFFAOYSA-N 417.535 1.144 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2nc(C)nc2C1 1286546282 IAXIKXLKPYMENH-RDJZCZTQSA-N 414.514 1.318 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1286809836 LQHSXUXXEKJBSF-SJORKVTESA-N 415.494 1.976 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H](C)N1CCOCC1 1293144721 JWHWOIPHQCLIKH-ZIAGYGMSSA-N 421.339 1.982 30 10 HDEE CC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1293621185 BJXLHGTVROXPSQ-VALQDXLZSA-N 414.510 1.761 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCOCC1 1298631839 HJWLAABVZJIAKF-UHFFFAOYSA-N 419.489 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N1CCOCC1 1300289257 HLRWMOHXPFSTBI-HNNXBMFYSA-N 411.462 1.381 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1300308518 POIJELAWVWQDKL-JKSUJKDBSA-N 421.567 1.287 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1300422065 XOZBFZMZWPGQLZ-IAGOWNOFSA-N 406.556 1.811 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ncnn1-c1ccccc1 1300471497 DXGMGBHCJAISIV-UHFFFAOYSA-N 401.478 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@@H]1OC 1300554921 MNITWXKDANSGSY-ROUUACIJSA-N 422.489 1.440 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1300629869 HMIUWLTXEVHYKT-QGZVFWFLSA-N 402.524 1.147 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1300760802 GWEAHDUIVPSBPZ-HRCADAONSA-N 414.597 1.796 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1301251893 IVTQSYVGULQUFM-KRWDZBQOSA-N 404.515 1.269 30 10 HDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)O 1301422836 ZIZDACOFJORRCB-UHFFFAOYSA-N 422.555 1.648 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)ccc1F 1301511501 YXCGHHGCSCLXCQ-AWEZNQCLSA-N 412.487 1.118 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1301515666 XDIYKUURTSZTBN-UHFFFAOYSA-N 416.457 1.000 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCS(C)(=O)=O)CCOC1 1301955887 BGCFFZNTULUSKH-CRAIPNDOSA-N 413.544 1.349 30 10 HDEE COCCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1302220123 KDRVLMBXHHCGLO-INIZCTEOSA-N 402.411 1.245 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1302364021 SHUOATOHFJSSMW-AVRDEDQJSA-N 408.506 1.962 30 10 HDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1303172013 WUTVOOZOKNUPLT-UHFFFAOYSA-N 412.494 1.855 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)C1 1303559236 XIDRHJRAZKMNKE-INIZCTEOSA-N 413.337 1.578 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1305630946 GRXCEJYCEDBIKH-HNNXBMFYSA-N 414.535 1.690 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C1CCOCC1 1309701580 KBQNFEQPJSXOHU-SFHVURJKSA-N 414.549 1.424 30 10 HDEE C=CCn1cc(CNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)nn1 1312898135 INSILXXSERUYBT-OQLLNIDSSA-N 413.463 1.395 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)c2ccc(F)cc2)CC1 1313067498 GXQRJDFCISBFSI-UHFFFAOYSA-N 424.542 1.678 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)F)CCOC1 1314139084 GIMZNJSPVBKMMA-CXAGYDPISA-N 401.414 1.288 30 10 HDEE CN(C)c1ccc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1314661251 PJLAWNZFHWRISW-IBGZPJMESA-N 423.521 1.438 30 10 HDEE COc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1315539561 CSGIQNCLFOELKC-IAGOWNOFSA-N 412.450 1.046 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1COCCO1 1316186417 ASXQOWBBKWRPJV-HLIPFELVSA-N 407.515 1.938 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(COC2CCOCC2)cc1 1335427479 DHHRYCQFCPBDOZ-QURGRASLSA-N 413.474 1.915 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1350372229 WGISAAYHGFUCFS-QAPCUYQASA-N 419.503 1.737 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC[C@@H](O)C1 1358880750 RXUQIQSPCQGCGM-FRQCXROJSA-N 406.494 1.930 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@]2(CCOC2)C1 1358933702 BRTGSQBGZIYUOC-FQEVSTJZSA-N 415.519 1.679 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1359023260 FMDYNPOETNHHBW-HNNXBMFYSA-N 401.433 1.505 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1 1359041109 NSKKHTPVZVFCIC-OAQYLSRUSA-N 424.549 1.864 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCC[C@@H]1NC(=O)NC1=O 1359073323 LVLGNYJEHZHSEB-HRAATJIYSA-N 424.509 1.120 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1359164209 IMWJZUVLBKWIMU-MSOLQXFVSA-N 401.559 1.412 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1359301663 GYQLKKXMTZYSDY-INIZCTEOSA-N 414.485 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1456276402 PVPPMPPTYKGRFE-QRVBRYPASA-N 414.506 1.905 30 10 HDEE C=CCN(C(=O)C[C@]1(C)CCS(=O)(=O)N1)[C@@H](Cc1ccccc1)C(=O)OCC 1458996542 IZBPWSNHDRXRSN-PXNSSMCTSA-N 408.520 1.647 30 10 HDEE COC(=O)[C@@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1464781176 OQGYBEJZDKTGTJ-IBGZPJMESA-N 404.419 1.941 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C)c1cc[nH]n1 1465237147 LKRWKPCWWKZQDJ-HNNXBMFYSA-N 423.420 1.391 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1466604891 UOIVWFFENNSHAD-IAGOWNOFSA-N 404.463 1.514 30 10 HDEE C#C[C@@H](NC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1)[C@H]1CCCO1 1469867828 LKHFFTIDXQYIMU-QZTJIDSGSA-N 405.520 1.806 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H](CC(F)(F)F)O1 1470391428 FMGDGBZIKPVVST-YPMHNXCESA-N 405.398 1.405 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1470592179 ADJJTWUQFJOLKW-FUHWJXTLSA-N 405.520 1.353 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1)C1CCOCC1 1470863388 BUSXSRLWOFWWMZ-FQEVSTJZSA-N 408.502 1.993 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c(O)cccc1O 1472063134 FHRTWOJGIBKSIE-HNNXBMFYSA-N 417.487 1.867 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)C[C@@H]12 1473651329 RFZXSAYKOSFTHR-RNJTYBCJSA-N 409.483 1.205 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H]2CCc3ccccc3NC2=O)C1 1478402835 FYZUUBYCXVHWML-UAGQMJEPSA-N 413.478 1.998 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)n1 1478651199 KNWDTNVAYAPABF-VQIMIIECSA-N 400.483 1.328 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCS1 1494512962 KBWCGJKNIZHVBW-DEWUXSJSSA-N 418.523 1.598 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(Cc2csc(C)n2)n1Cc1ccc(C#N)o1 1499324589 ZLESXYGQXTVYAT-MRXNPFEDSA-N 411.491 1.862 30 10 HDEE COCc1nocc1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1504660596 VACVTVMTVRINBJ-UHFFFAOYSA-N 413.482 1.827 30 10 HDEE COCC[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504787432 VBHOTBIKJNGYHC-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1csc(C)n1 1505000090 PKLXXPAWRFSJLE-CJNGLKHVSA-N 406.512 1.739 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1507527344 UOBVWAVBKAQQQW-OAHLLOKOSA-N 410.503 1.754 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507549149 YJCJGLODTOHWIP-FGTMMUONSA-N 402.543 1.530 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507562962 BUFSRNZGJAFXRW-XDNAFOTISA-N 421.567 1.649 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1507589374 WIZNDTSLGXTUFO-KRWDZBQOSA-N 421.567 1.288 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1507617339 TWZLDGGJBUKGRT-CQSZACIVSA-N 409.537 1.099 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F 1507641604 BIQQZUBFWPGMOA-LBPRGKRZSA-N 405.446 1.550 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)O[C@H](C)C1 1507709318 VEUDDJDEFKNQLJ-HDICACEKSA-N 400.527 1.859 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(O)(CCC)CCC)CC1 1507726173 GVWWYFIZFUGUGB-UHFFFAOYSA-N 416.570 1.487 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1507782443 GBNPYPHXUMZGBV-UHFFFAOYSA-N 420.315 1.948 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)CC1 1507806176 RNAZOKKVLDOBMG-IEBWSBKVSA-N 401.536 1.814 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507873586 LWRWUPCCKFYEQK-NHIYQJMISA-N 414.890 1.115 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CS(C)(=O)=O)CC2)CC1 1507889914 HXZOEMWXYAYILG-IRXDYDNUSA-N 424.567 1.983 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507967037 GKCFJURDGLBTEZ-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1508007224 WGPBUUHXNBEQFV-HNNXBMFYSA-N 423.564 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1508144792 HARNVILOGFRUQU-HNNXBMFYSA-N 424.527 1.347 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCc2ccn(C)n2)CCOC1 1508410821 GKKGGMXAWVVSIV-UZLBHIALSA-N 401.515 1.891 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N(C)C)cc1C 1510932964 DNZBNPKFTHJISZ-FQEVSTJZSA-N 413.457 1.677 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1522965612 PSXPXQDXHWTSEG-QGZVFWFLSA-N 403.479 1.459 30 10 HDEE C=CCN(C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2)[C@@H]1CCS(=O)(=O)C1 1530302295 BUCGSHKMMWMOFC-LLVKDONJSA-N 407.414 1.176 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(OCC#N)cc2)c1 1530829068 AIHRITJOHYCAFO-UHFFFAOYSA-N 403.460 1.695 30 10 HDEE C=CCn1cc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nn1 1538509455 SWUKVINLMLEZSI-SFHVURJKSA-N 406.464 1.076 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 1538585644 LEEHEEONXVQUEJ-HNNXBMFYSA-N 418.881 1.272 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)[C@H](C)COC 1538864762 SUPIYXGAYVRTMX-VFNWGFHPSA-N 403.479 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1539017347 ZXKLGNMQUIWIGV-DNVCBOLYSA-N 423.477 1.423 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1539032580 YLCYLSZWJAAHBP-GOSISDBHSA-N 411.506 1.872 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1539222648 WYYUQNDVOQDGMW-QZTJIDSGSA-N 415.519 1.046 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c[nH]nc2c1 1539318642 URRRQGDLNNEANB-SFHVURJKSA-N 401.474 1.811 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C(F)(F)C23CCC3)CC1 1539427374 CLHRCPNAFYMHJV-OAHLLOKOSA-N 406.481 1.607 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2C[C@@H](COC)OC)CC1 1539444420 NTAPWHKWUTZDPN-SFHVURJKSA-N 422.533 1.853 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC[C@H]1COCCO1 1539541774 LGUZLPBIDZGGQY-WMQCIHAUSA-N 404.511 1.728 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CC)OC 1539669712 SKXDLRZDSLTIPK-JKSUJKDBSA-N 415.560 1.438 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540867967 NSZWYFDVATYKIV-OALUTQOASA-N 411.506 1.940 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@H](CO)O2)C1 1540895962 CJQQGFMLRZVFRV-APAFKAMOSA-N 422.526 1.323 30 10 HDEE Cc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1543286730 SCQCBMSXYCICOS-ISLYRVAYSA-N 401.515 1.424 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1545831955 BWZQWTBJBRYBMA-GOEBONIOSA-N 424.571 1.760 30 10 HDEE CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548269059 AXSCFRJHLFFRIU-UHFFFAOYSA-N 421.509 1.617 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1554242574 QXQGNWKILFHUNU-KGLIPLIRSA-N 405.480 1.166 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](CO)[C@H](O)C1 1556178479 UCYYLRQNJTZDJM-QXAKKESOSA-N 415.490 1.594 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1556466305 RBCVUPVAGRRBCV-UHFFFAOYSA-N 411.524 1.093 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)C1 1558329038 JMDSGEIQMILNGL-CQSZACIVSA-N 400.464 1.702 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)C1=O 1558676202 PQGDKEMDUWASKT-CYBMUJFWSA-N 418.519 1.667 30 10 HDEE CCOC[C@H]1CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1560054717 HOAORGHZJCJXNW-WOJBJXKFSA-N 404.486 1.272 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)CC1 1568076545 KLNKJCHBHLIFQO-QGZVFWFLSA-N 419.522 1.391 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C 1583705297 OGSWSKFLFQSHIJ-KRWDZBQOSA-N 406.504 1.685 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(CC#N)cc1 1584779496 MTDWPZSSVFPCRI-UHFFFAOYSA-N 402.476 1.042 30 10 HDEE N#C[C@]12CN(C(=O)/C=C\c3ccccc3OC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1585660304 JELXWNGGDCZYII-PCXLQKCLSA-N 400.378 1.995 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1587300351 NWWCCIFUQZFCBP-UHFFFAOYSA-N 403.460 1.683 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccccc3)[C@H](C(C)C)C2)C1=O 1587424089 LEKXPZLQTCZZOQ-SFHVURJKSA-N 412.490 1.332 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CC=CCC1 1587861673 PLYKBRPJWGCBQX-ROUUACIJSA-N 421.567 1.817 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588029264 FJHWVNYZMODCNC-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1588058961 GGGJGTKGBNKWRF-SQNIBIBYSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCCn1cnnn1 1588084420 QSIVOMIDFUXQRW-MRXNPFEDSA-N 408.441 1.707 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1593746743 LYZATBAHZOHXCB-AWEZNQCLSA-N 407.496 1.324 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)CC1 1594534438 OUMNOFYDWFJRPT-BQFCYCMXSA-N 420.531 1.537 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1594761107 VAKSUKBDWOQNTJ-CABCVRRESA-N 414.535 1.951 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1594807328 LPNZPXLWEXAARY-SFHVURJKSA-N 410.482 1.639 30 10 HDEE C=CCN(C(=O)C[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1597171204 UNNVNHRKYNYKTA-BEFAXECRSA-N 416.540 1.340 30 10 HDEE C[C@@]12CN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@]1(C)CS(=O)(=O)C2 1611225001 VYBITSFWRABRHJ-YSGRDPCXSA-N 405.495 1.807 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)COCC(=O)OC(C)(C)C)c(=O)c1C#N 1611230855 JDZXAFLLWFQEPK-UHFFFAOYSA-N 414.256 1.528 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1613549163 JWBKLJBSEUGJTG-ZDUSSCGKSA-N 414.466 1.709 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1CCN(CC(F)(F)F)CC1)c1cc[nH]n1 1616310669 GMRLBIVVPUCHDC-UHFFFAOYSA-N 419.404 1.084 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1617371371 OHMBYNZOLZBZOL-SFHVURJKSA-N 420.543 1.138 30 10 HDEE COC1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1619482989 ZVBXTQHPWKRVDS-JCYILVPMSA-N 402.499 1.334 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)C[C@H]1c1ccccc1 1620359332 WXKRDFVRMWYGIT-CEXWTWQISA-N 424.505 1.372 30 10 HDEE COC(=O)[C@@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCC(C)(C)C1 1620431579 AZJFJXKCTQEETR-OAQYLSRUSA-N 417.510 1.605 30 10 HDEE Cc1cc(C(=O)N[C@]2(C#N)CCSC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1627706002 UEORVDIRPSXOJX-IBGZPJMESA-N 418.544 1.930 30 10 HDEE C[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)CN1CCOCC1 1629894281 GAJXRONRNXGMDU-CQSZACIVSA-N 421.339 1.841 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1634126603 FSDRQNMWHOOULG-ZIAGYGMSSA-N 411.890 1.678 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCS(=O)(=O)CC1 1635324976 OCHSWCDFJOLRQF-GFCCVEGCSA-N 410.920 1.078 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)cc1 1637365815 QZVGTMJIKHJGFH-IBGZPJMESA-N 401.463 1.524 30 10 HDEE C=C[C@@H](C)ONC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1640635465 RTYLUYAVEJYNKS-CYBMUJFWSA-N 409.464 1.391 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O 1641582702 JQRKKAUCXLHACQ-ZHRRBRCNSA-N 413.474 1.989 30 10 HDEE C#CC[C@@]1(C(=O)NCc2nc([C@H]3CCOC3)n[nH]2)CCCN1C(=O)OC(C)(C)C 1641745730 XUPVYAHMPWTUPP-XOBRGWDASA-N 403.483 1.718 30 10 HDEE C#CCN1CCN(C(=O)CN(CC)CCOc2ccc(Br)cc2)CC1 1641892434 FHSMBXGBZYOBOY-UHFFFAOYSA-N 408.340 1.927 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(OC)nc2OC)s1 1641983402 LURIJLFPTWSXLQ-UHFFFAOYSA-N 411.505 1.484 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 1643725843 OJOXMWQZYXPHQQ-HNNXBMFYSA-N 423.535 1.541 30 10 HDEE N#CCN(C(=O)Cn1cc(I)c(O)nc1=O)c1ccccc1 1643932212 POMORGPIYRSULA-UHFFFAOYSA-N 410.171 1.110 30 10 HDEE CCOc1ccc([C@@H](C)NC(=O)Cn2c(=O)c(C#N)c(C)n(C)c2=O)cc1OC 1644133641 FWZYIMAXAWJGSX-GFCCVEGCSA-N 400.435 1.012 30 10 HDEE Cc1ccc(CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1C#N 1644910844 WBUIVTCSOCTFEM-UHFFFAOYSA-N 405.458 1.758 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1 1645144234 ZOLPHXZOBYTHAL-HOTGVXAUSA-N 401.488 1.527 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](O)[C@H](Oc3ccccc3)C2)s1 1648689763 PMDUGMRAOGQERJ-IAGOWNOFSA-N 422.528 1.406 30 10 HDEE COc1ccc(CCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1O 1651332563 XVULUQKOITWDCB-KRWDZBQOSA-N 422.441 1.836 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN[C@@H]1CS(=O)(=O)Cc2ccccc21 1655144362 PUZJZNJMOASHAY-LJQANCHMSA-N 421.482 1.942 30 10 HDEE CS(=O)(=O)[C@@H]1CN(CC#CCN2C(=O)c3ccccc3C2=O)C[C@H]1C(F)(F)F 1659408241 CDPINXYZEUTWQL-HUUCEWRRSA-N 414.405 1.193 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 1676354471 RIFJYYJYFVKVLT-UHFFFAOYSA-N 401.488 1.617 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1682939091 UVIBQAKHECIUHV-KRWDZBQOSA-N 412.469 1.126 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)nn1 1683483248 RUMLMTDEVBKRPN-UHFFFAOYSA-N 412.498 1.180 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1687235622 KSCQWJZSELXEPL-UHFFFAOYSA-N 405.524 1.250 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690101364 YIHUBJIMFIIMPH-HDICACEKSA-N 413.526 1.320 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H](c2cccc(C)c2)N2CCOCC2)CC1 1690113607 ORGWYTPZJSHWDA-JOCHJYFZSA-N 408.550 1.724 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2nccn2C(F)F)CC1 1690124285 ILMWKJCWAZCATE-HNNXBMFYSA-N 405.453 1.567 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1690301089 ORFXATJMZYCDOH-GOSISDBHSA-N 404.559 1.702 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCCO1 1690665404 BYEHXUZVGIAGDB-MRXNPFEDSA-N 413.478 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)OC[C@H]2C1 1690725281 LABHPKBNSBNHPL-CQSZACIVSA-N 411.528 1.108 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1692470304 ZSJSNUABGAHQIK-MOPGFXCFSA-N 407.522 1.872 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1696085183 CTFUSFHNTIIMNE-PXNSSMCTSA-N 406.531 1.389 30 10 HDEE COCCOc1ncccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C#N)C1 1698188935 JABFEDPJBBCYKM-INIZCTEOSA-N 409.450 1.470 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1698303163 FWOUUOAFCIVKHN-KRWDZBQOSA-N 418.523 1.208 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(N(C)C)c1)[C@H]1CCS(=O)(=O)C1 1705569322 BUUYACCYMDHEFZ-SFHVURJKSA-N 401.536 1.582 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1cc(F)ccc1N1CCOCC1 1705587319 QEPSDEFUAJKCKY-UHFFFAOYSA-N 411.481 1.911 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705686193 RYFNSICLLYFADI-ZOBORPQBSA-N 410.316 1.999 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC[S@](=O)CC 1705835545 NRIXJETZFQOYMR-MUUNZHRXSA-N 424.596 1.937 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCOc1ncccc1F 1706743644 CWKPWPJQIMSLMN-CQSZACIVSA-N 401.446 1.866 30 10 HDEE CC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709263695 HDZSZUYBYPIORD-UDJKBAMHSA-N 424.509 1.831 30 10 HDEE CN(CC1CCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711139920 SMKJDSZZMCFLSF-KIJUOZEOSA-N 400.483 1.545 30 10 HDEE CO[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1711566186 CVKMKAYANPWDOD-DLBZAZTESA-N 407.540 1.735 30 10 HDEE COc1cccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711918699 SGHXJMPZNJPQFJ-CZIZESTLSA-N 424.461 1.317 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CC1 1712104063 CIUNUASRMWVYJU-LJQANCHMSA-N 422.489 1.457 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1712452731 NMBYOEKKIBXUDM-NRFANRHFSA-N 407.478 1.662 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1722276145 HJTJHWPVVWGPMV-FPMFFAJLSA-N 410.569 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722288707 FWFSTJUPITYUDU-OAHLLOKOSA-N 410.503 1.688 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722342247 VGGKFENHDOVEAL-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnc2n1CCC2 1722375343 MVWZFODPYBTXIZ-UHFFFAOYSA-N 402.418 1.512 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1722384669 ZRQVKUTUKAKRNA-UHFFFAOYSA-N 415.494 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN(CC)C1CC1 1722398453 ZCBGOXIGDPDLCD-UHFFFAOYSA-N 408.506 1.953 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1 1722466937 IUEHDWMEEHANJU-GQIGUUNPSA-N 420.583 1.365 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722494014 LMADESDCRVHUKP-WJPUGNRLSA-N 416.526 1.114 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722599610 YJTQGLCNZQYFPS-INIZCTEOSA-N 401.515 1.426 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)C1CCN(C(=O)c2ccccc2)CC1 1722700173 YWFNWKAKMAVKBJ-UHFFFAOYSA-N 410.522 1.884 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N(C)C)CCOC1 1723680065 JEXBRDICHSNDSZ-WOJBJXKFSA-N 404.515 1.537 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](CO)O2)C1 1724015901 RQMCKVHIWDREPG-YRNRMSPPSA-N 402.499 1.070 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](CC(C)C)NC(=O)OCC 1729076747 CAFVGKWSXJXSKZ-JKSUJKDBSA-N 408.503 1.704 30 10 HDEE CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729158440 BAGIZPKXWKLICD-HOTGVXAUSA-N 412.498 1.195 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCO2)n1CC1(C(N)=O)CCOCC1 1729409731 SPYFXUODZSIUST-GOSISDBHSA-N 424.505 1.920 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1729542895 UMYJPFQZAJEOQA-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740588889 IRXFRBOWLHTQBI-SFHVURJKSA-N 412.538 1.872 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740592307 VBYHUGOWHFNMRO-JOCHJYFZSA-N 422.537 1.567 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740887588 KEZYDDTUMQHALG-MJGOQNOKSA-N 404.559 1.422 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CC(C)(OC)C1 1740992772 NLYGXHADUGIUPN-UHFFFAOYSA-N 408.499 1.834 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC1CC(F)(F)C1 1741917069 AVMJGXMNDXUBNU-LLVKDONJSA-N 402.471 1.674 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nnn(C)n2)c1 1742358241 GPVNZMBCBQLSIG-FQEVSTJZSA-N 407.482 1.867 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1747704097 AYBBGLLKRDZQLL-QGZVFWFLSA-N 421.505 1.783 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1748840775 JVQFMPYDXCZIQH-UHFFFAOYSA-N 414.473 1.088 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cn1 1748856113 SGIFRTZQOGRRJL-UHFFFAOYSA-N 412.881 1.601 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1748925319 HFUQOTASSFNUSV-QGZVFWFLSA-N 407.584 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1749015065 QNNAIWJQDSXRCX-UHFFFAOYSA-N 421.567 1.164 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NCCC 1749055443 JRVZCYYDCCJOPG-RTWAWAEBSA-N 403.527 1.839 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC[C@H]1C 1749199391 QBLYDGQAXPTLIC-CRAIPNDOSA-N 407.482 1.755 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1749402483 OQUJPMSSYVWZNM-QGZVFWFLSA-N 423.583 1.984 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCC[C@@H]2C)C1 1749713086 OJFSFQSQEVJZFR-TVKQPGBESA-N 424.567 1.513 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCN(C)C1 1750066243 HQDCMKJKCDHPRM-VFNWGFHPSA-N 412.494 1.379 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CCC1 1750255920 BOLCUKHIZWDWGI-OLZOCXBDSA-N 400.574 1.912 30 10 HDEE Cc1cnn(CC2CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)CC2)c1 1751726084 WVQIRTQQPYLFPZ-VXPUYCOJSA-N 424.509 1.534 30 10 HDEE C[C@@H]1CN2CCC[C@@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1752406267 VNHYLRSXTQRZNF-CRAIPNDOSA-N 414.535 1.534 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1760137701 WDKWSJANXPTEIO-HOTGVXAUSA-N 402.499 1.748 30 10 HDEE C#CCCCn1c(N(C)CCN2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159406 FYHQXZARZPWPRV-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1CC 1760173441 VWVNJDRFQXOHTG-UHFFFAOYSA-N 411.466 1.700 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1760173934 FNKFSUOEUGKHMC-UHFFFAOYSA-N 421.505 1.588 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1760231039 IUZFRGACPSEUBX-UHFFFAOYSA-N 410.503 1.778 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760335145 LRDJQXAOZPXKJC-WXQHOCMDSA-N 405.499 1.060 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1760450902 VGLBCLOYTWKXEE-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1760524007 MZBODXVQVAUXNX-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE CC(C)=CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760823985 XYHCONSOLPUPIL-GOSISDBHSA-N 419.489 1.320 30 10 HDEE Cc1cc(C)n(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)n1 1762473231 HRACXQPFELKGRR-YOEHRIQHSA-N 419.555 1.680 30 10 HDEE CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1764332878 VTFKVUMUJCPIRP-CZIZESTLSA-N 422.493 1.888 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1=O 1765474741 ORSUENZZZLTIIA-QGZVFWFLSA-N 400.458 1.860 30 10 HDEE Cn1cc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2Cc2ccc(C#N)o2)cn1 1767456199 KYEWBSTYXIOPTE-UHFFFAOYSA-N 415.479 1.205 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCSC)CCOC1 1767472791 IMTHOPTWNVOXAI-XLIONFOSSA-N 420.583 1.860 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)CC1 1767827412 FRDKNLMTQQGGDL-GOSISDBHSA-N 407.478 1.971 30 10 HDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(F)(F)F)CC1 1767838051 HZOWSDDXKJULFJ-UHFFFAOYSA-N 423.399 1.752 30 10 HDEE COCc1nc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)cs1 1769376659 DSULVDWXYFHRHY-UHFFFAOYSA-N 423.502 1.746 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1770727180 CTZJWTODLJRPBF-KDOFPFPSSA-N 404.471 1.607 30 10 HDEE CS(=O)(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1771362995 PCBZAOOPWCKUDZ-DOTOQJQBSA-N 418.498 1.865 30 10 HDEE C=CCN1C(=O)[C@H](CC(=O)NCCCC(=O)O)SC1=Nc1ccc(C(=O)O)cc1 1772721677 NFMPQQFFXNYMNL-AWEZNQCLSA-N 419.459 1.873 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772785919 MDVFSSDCUUGARS-JTQLQIEISA-N 408.819 1.761 30 10 HDEE CCCc1noc(-c2cccnc2-n2cnc(C(=O)N3CCN(CCC#N)CC3)c2)n1 1848542379 RESUXAKEGPFWRJ-UHFFFAOYSA-N 420.477 1.941 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C)C1=O 1848942075 WBECSMXOYIAJDB-SFHVURJKSA-N 421.563 1.898 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CC1 1850279252 ZHCUOLSNVQFXFR-GOSISDBHSA-N 404.536 1.439 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)NCC3CCN(S(=O)(=O)C4CC4)CC3)cnc21 1851628898 PSCBGNPKUIJTSR-UHFFFAOYSA-N 401.492 1.379 30 10 HDEE CC(C)C[C@@H](F)C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853691262 MUUKPPZLYSHDAA-RTBURBONSA-N 420.529 1.972 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCCc4c3ccnc4N(C)C)C2=O)CC1=O 1853793562 RLBQHCOFBVGWQY-QAPCUYQASA-N 411.506 1.062 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1853846790 MMAZFIBTGRYYFZ-SJORKVTESA-N 416.547 1.862 30 10 HDEE CC(C)N(C[C@H]1CC(=O)N(C(=O)c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854068696 KYIBIANWLYUYOM-AEFFLSMTSA-N 403.504 1.444 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccc(OCC)nc2)C1=O 1854303166 VZSFSTNPAHIUNX-MSOLQXFVSA-N 414.506 1.720 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1854393250 FCJRAHYQYWBCNP-ROUUACIJSA-N 401.507 1.784 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854421672 UPPRHYZRNGQVHN-MRXNPFEDSA-N 410.540 1.086 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)OC1=O 1854649906 CTFHXYSCKAVODB-CQSZACIVSA-N 413.402 1.627 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCN(Cc3ccccc3)C[C@]23CCOC3)C1=O 1854804126 JIBXLIDJVGAEEJ-OFNKIYASSA-N 410.518 1.785 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2c(F)cccc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855718538 VKVJNZIAKCIZEL-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)CCc3scnc3C)C2=O)CC1=O 1855861134 GNRNPYJVKCZYON-IAGOWNOFSA-N 418.563 1.868 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c2ccccc2n1 1856118375 CJZSWAQVCFBJAB-UHFFFAOYSA-N 400.460 1.460 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ccccn4)C3)CC2=O)cc1C#N 1856856296 QPADXYDEIHRXJP-NRFANRHFSA-N 403.486 1.821 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3=O)nn2)cc1 1857351231 KCPGCRZLNMQMJG-UHFFFAOYSA-N 400.442 1.932 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1=O 1857482829 DFQIXFYIUMSTQH-KRWDZBQOSA-N 403.454 1.298 30 10 HDEE COc1ccccc1CCNC(=O)[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858422538 VBBKIWKYYKZFLN-SFHVURJKSA-N 413.499 1.936 30 10 HDEE C=C(C)Cn1nc(C)c(CCC(=O)NCCS(=O)(=O)N2CCSCC2)c1C 1860322383 LWQTURPVDOXJDG-UHFFFAOYSA-N 414.597 1.503 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CC)c1 1861234901 VUTIQXOXOLALRT-LJQANCHMSA-N 411.458 1.437 30 10 HDEE O=C(NCCCCCO)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931854 JXYDDELZYOMDKR-SFHVURJKSA-N 415.515 1.615 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)CC1=O 1873015421 UQLSMDSGJHUBRJ-KRWDZBQOSA-N 417.506 1.391 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1/N=C/c1cccnc1 1874435985 HCJRRTWTXPQILG-WYMPLXKRSA-N 423.502 1.600 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](N(C)c3ncc(C)cn3)C2)cs1 1890469706 LGZDWRXAELEBJO-CQSZACIVSA-N 400.508 1.898 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)cnc2s1 1891286731 HYMQUYHOUNCOHU-UHFFFAOYSA-N 410.459 1.657 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)[C@@H]2COC[C@@H]21 1982286688 MWOLUWGWMCQNAQ-SRVKXCTJSA-N 411.318 1.449 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)C1 2054407178 CFSZGNVTBFLGKV-INIZCTEOSA-N 404.492 1.467 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O)C1CC1 2076044035 XXXIZAYWMBYNQZ-FOIQADDNSA-N 406.479 1.980 30 10 HDEE CN(C[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCO1)C(=O)OC(C)(C)C 2174782263 OTLONRQWQATCKL-GJZGRUSLSA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(CCNS(=O)(=O)c2ccc(C#N)s2)CC1 2174787839 YQJNMRJBQALDBW-UHFFFAOYSA-N 414.553 1.841 30 10 HDEE C#CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 2180095826 XFWHYJBHARKNJU-CVEARBPZSA-N 400.541 1.822 30 10 HDEE COCC[C@@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)C1 2202163143 ASXDDRWJEMFRBO-XIKOKIGWSA-N 404.529 1.928 30 10 HDEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243423857 GZCZHNPTYHFRDF-UHFFFAOYSA-N 408.308 1.742 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247845112 MGMHMJDUXXYTGK-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE C[C@H](CCOCc1ccccc1)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247846920 OOBXUZJLDCFWMQ-OAHLLOKOSA-N 414.315 1.840 30 10 HDEE Cn1nc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247918798 MZXXJHBFNPZXEY-QWHCGFSZSA-N 420.319 1.505 30 10 HDEE Cn1nc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247920995 HQVSTJQTSGQVPX-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248394826 CVXZLYGOWJVRQY-YCRPNKLZSA-N 420.315 1.621 30 10 HDEE C[C@@H]1C[S@@](=O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267711048 FINWHEHAQLXODB-JNDILOIQSA-N 405.372 1.189 30 10 HDEE C[S@@](=O)CC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2267712136 BWNDMUMYRZUJMJ-XMMPIXPASA-N 405.372 1.046 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)[C@@H]1N 2282351359 ZKSHDMJZYQKMDR-JYAVWHMHSA-N 400.375 1.651 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](N)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282491974 MZXZYOMDWTYZTI-MFKMUULPSA-N 400.375 1.774 30 10 HDEE CCCC(=O)NCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493913 YJBKKCNGDIRFLR-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCS(=O)(=O)C3)sc2Cl)OC1(C)C 2282615141 MNNQGNKOXWRNHD-JTQLQIEISA-N 419.761 1.865 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(C)CCCNC3)s2)OC1(C)C 2282868361 MHVGBOGHGPGFQO-QGZVFWFLSA-N 400.375 1.715 30 10 HDEE C[C@@H](F)[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398484 YPJZJTOSHRMCEE-KOLCDFICSA-N 407.294 1.278 30 10 HDEE CC(=CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284405142 GVMCOUIKQAKCAE-UHFFFAOYSA-N 401.315 1.665 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCO[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284446105 SBKBNFSNHLDJRK-ONGXEEELSA-N 401.677 1.673 30 10 HDEE COc1ccc(C#CC(=O)[C@@H](O)c2ncc(I)s2)cn1 2295801349 GPNAVUOTJZCFRP-GFCCVEGCSA-N 400.197 1.806 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2C[C@H]2CC(=O)O)OC1(C)C 2360943261 FIYNRYHPZZRRSV-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 2365203990 LIKKROHTYWDYQZ-KHYOSLBOSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365205575 BSGFOILENLJZDF-SPYBWZPUSA-N 402.557 1.681 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365211565 MOBYEBNBHMUKRD-MDASCCDHSA-N 402.557 1.681 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@H](CC)NC(=O)OC(C)(C)C 2365212127 QPNGRURAZFDKKD-QMTMVMCOSA-N 404.573 1.845 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CN(C)C(=O)OC(C)(C)C 2367824395 LMUVOWSODSGXEL-CRAIPNDOSA-N 402.557 1.553 30 10 HDEE Cc1ccc(C(=O)NCc2ccccn2)cc1/N=C1\N[C@@H]2CS(=O)(=O)C[C@H]2S1 4193529 NZVMROQWFHNFIG-IAGOWNOFSA-N 416.528 1.810 30 10 HDEE COc1ccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1O 21316592 VPTZMBDBBMEIFT-AWQFTUOYSA-N 414.451 1.278 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccccn2)[C@H](C#N)C(=O)N3)CC1 72444661 UPBGAISAVHWDNE-ZFWWWQNUSA-N 422.445 1.168 30 10 HDEE COc1ccc(/C=N/NC(=S)NCCN2CCOCC2)c(Br)c1O 169884250 BKHPLTJWZOBSSC-VCHYOVAHSA-N 417.329 1.294 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)cc1F 317674248 BYEMWOCCBVPSFQ-LLVKDONJSA-N 410.286 1.399 30 10 HDEE COc1ccc(C(=O)N2CCOCC2)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427195293 CLSRLVMFPSEUKE-UHFFFAOYSA-N 416.459 1.544 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)s1 435447317 OSPZIHRVDUEATK-JKSUJKDBSA-N 416.528 1.497 30 10 HDEE N#Cc1cc(F)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 445644189 ZVYPKWZBZCRLDA-UHFFFAOYSA-N 416.409 1.855 30 10 HDEE CCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447268354 VCZLBLYNQCITIX-UHFFFAOYSA-N 423.336 1.544 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCN(C(=O)c3ccccn3)CC2)cn1 462078660 ZMDZZBWTZBKSTD-UHFFFAOYSA-N 402.418 1.524 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)CC1 463007062 DGAHBWWVSAWGPQ-MSOLQXFVSA-N 418.519 1.532 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C1 465014198 RSMXCOYJRSFRGO-SJORKVTESA-N 421.505 1.856 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnn2-c2ccccc2)CC1 470747869 ZJXVFDSFYBSDTR-UHFFFAOYSA-N 421.482 1.891 30 10 HDEE CCC(O)(CC)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 472135292 XEEXFPHJJJJRCN-UHFFFAOYSA-N 408.524 1.515 30 10 HDEE CCCS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481027263 QVBUTQJHJXSEKU-UHFFFAOYSA-N 403.501 1.321 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)OC 481603596 JDKCOUHVDVSOIF-LLVKDONJSA-N 408.270 1.480 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 482833837 GXABWSIKLHDSHL-ZFWWWQNUSA-N 407.492 1.415 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@](O)(C(F)(F)F)C3)C2=O)cc1 487165417 RDDQDQCTROLEIM-MAUKXSAKSA-N 410.396 1.758 30 10 HDEE N#C[C@@H](NC(=O)C1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 499412958 KYOHKADAFVEZKH-OFKYTCTHSA-N 405.252 1.898 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 504434965 PUANDGQRFKKEAW-OAHLLOKOSA-N 402.499 1.730 30 10 HDEE Cc1ccc(C#N)cc1NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 504733911 MZWINMXLADHVAZ-UHFFFAOYSA-N 424.482 1.409 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 505003742 XQWPSRNRFIDVBU-INIZCTEOSA-N 419.503 1.730 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(C)(C#N)CC2)cc1 507825861 AUEJLYLNCZACGJ-UHFFFAOYSA-N 420.535 1.599 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)cc1 514658660 YQVPMZLDHZFNPP-UHFFFAOYSA-N 407.470 1.850 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 516521916 MHQGEOBFQHQVIT-UHFFFAOYSA-N 400.456 1.675 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3cccc(F)c3)C(=O)C2)c1 532828219 ZAKATEIKMSJADE-UHFFFAOYSA-N 401.463 1.815 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@@H]2CCCCO2)c1=O 533882934 PJBNCFWRPYWPRK-INIZCTEOSA-N 412.515 1.085 30 10 HDEE Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1S(C)(=O)=O 534025748 WAXGOYNNLYSBRP-UHFFFAOYSA-N 421.500 1.761 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)c3ccc(N4CCOCC4)nc3)cc2C1=O 541654547 ZORYIZVLTDYTLD-UHFFFAOYSA-N 406.442 1.977 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCN3CCOC[C@@H]3C2)CC1 543613277 UBHJOSZNZNIONF-INIZCTEOSA-N 411.462 1.566 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 555264614 SIMHDXDJUDIRMB-HXUWFJFHSA-N 418.586 1.937 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1 573999544 AYRSGTOWWPIYOY-IBGZPJMESA-N 419.489 1.371 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)O[C@@H](C)COC)nc1C 586305127 QEZWSGIQTABDJT-FLESLCNUSA-N 418.493 1.060 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 608958514 QNOPWGBTZKBBJP-SFHVURJKSA-N 422.489 1.922 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(Cc2nccn2C)CC1 609265550 HHKSDLDNJDRGGX-UHFFFAOYSA-N 406.494 1.228 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 609515497 BVSFRBDDRMYFJP-MRXNPFEDSA-N 400.460 1.899 30 10 HDEE C=C(Br)CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 727842890 KBVNRSRRQXAIRT-UHFFFAOYSA-N 417.329 1.335 30 10 HDEE C[C@@H](OC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C(=O)N(C)CCC#N 728727947 UZHYMVGYADFQGR-GFCCVEGCSA-N 422.438 1.872 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 728987202 ZPDWMIRGUHPYEZ-UHFFFAOYSA-N 420.418 1.784 30 10 HDEE C#CCN(C(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1)[C@H]1CCS(=O)(=O)C1 729332404 WPRVXRHMEJDOBQ-KRWDZBQOSA-N 422.462 1.750 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2F)C1)[C@@H]1CCS(=O)(=O)C1 729333875 AWWCLQQBOSXCTE-JKSUJKDBSA-N 421.494 1.719 30 10 HDEE O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)NCCN/C(O)=C1\N=CC=CC1=O 731862683 JVFSQZIGCDKBBP-XTQSDGFTSA-N 418.453 1.726 30 10 HDEE COc1cc(Cl)c(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1Cl 735080466 HHMXPXORXYJWDO-CCEZHUSRSA-N 420.274 1.807 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1 739047753 DIBHZJCWMOYITM-XAGSGXFFSA-N 421.523 1.665 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)c1S(=O)(=O)NC1CC1 741070607 DODDWIZUUAVAGY-KRWDZBQOSA-N 417.535 1.948 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](c1ccccc1F)N1CCOCC1 755683550 LFTIZTYIYJEHSY-IBGZPJMESA-N 417.462 1.884 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccccc3C(=O)NC3CC3)CC2)n1 760912425 YVDWHDVHTYDMPN-UHFFFAOYSA-N 404.474 1.606 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 765560948 WZIMREHSCJXTNJ-UHFFFAOYSA-N 422.570 1.860 30 10 HDEE CC(CCc1ccc(Cl)s1)=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O 771888780 GSSGGEQVAOGSLR-UHFFFAOYSA-N 404.901 1.086 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 775910524 WZRRBBNABMVAQN-AUUYWEPGSA-N 403.460 1.717 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2nnc(-c3cc(C)c(CC)s3)o2)C1=O 783353760 CEIQQPUYVAWLAW-UHFFFAOYSA-N 418.431 1.689 30 10 HDEE Cn1nc(-c2ccsc2)cc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785813845 MSIMVUBPSAMDET-UHFFFAOYSA-N 401.473 1.826 30 10 HDEE COCCN(Cc1scnc1C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 785842045 JQUDGUVRHVYOOL-UHFFFAOYSA-N 408.505 1.165 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCC(C)(C)O)C1=O 790736653 JOLCWLZJXCZFQW-AWEZNQCLSA-N 412.581 1.909 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 797225336 FIGRMPXBXBVRNP-WMLDXEAASA-N 406.439 1.839 30 10 HDEE COC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc2c1CCC2 798746015 XVIJSPMPIAYSQG-VIFPVBQESA-N 403.420 1.229 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccco1)n1cnc(C#N)n1 798747298 GCAJUVFUMPLCOE-JSGCOSHPSA-N 408.374 1.818 30 10 HDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CC(=O)N2CCC[C@@H]12 799465103 ZJEUZMXAQBAUJE-HNNXBMFYSA-N 409.468 1.788 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@@H]12 800412541 ZQQDYITYNBATGQ-IKBFSEMESA-N 422.384 1.709 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@@H](C(F)F)C2)CC1 801565923 KBXKWTPLCVOHKP-OAHLLOKOSA-N 421.404 1.421 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C/CNC(=O)OC(C)(C)C 807232334 WELSRNZAOKBUKI-VBROQKIQSA-N 422.507 1.422 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)n1 814127874 OMGXZIVZMDJOGF-NXHRZFHOSA-N 402.495 1.889 30 10 HDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914551485 FBZCKRWPEXKQOU-OAHLLOKOSA-N 406.483 1.951 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(-n2ccnc2)c1 917492501 GCPGZDRPUUVAHR-UHFFFAOYSA-N 410.459 1.012 30 10 HDEE C#CCCN(CCOC)C(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1 1131407817 OPZQQRQOFUHXKR-UHFFFAOYSA-N 405.499 1.962 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1131944627 HTTVHDTYVUQKNU-CYBMUJFWSA-N 410.400 1.514 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCN3Cc4ccccc4OCC3=O)CC2)o1 1133650482 AIRSPSVWDFESDA-UHFFFAOYSA-N 423.473 1.609 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)c1 1136040737 AXKMYSKIEJDHLD-INIZCTEOSA-N 412.471 1.227 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2nccc2N)c1 1141878554 ZZPBZEJWSWJGKD-OQKWZONESA-N 404.496 1.697 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1144589276 KXPZKBBCAPMGGY-BXUZGUMPSA-N 424.928 1.044 30 10 HDEE C#CCN1CCCN(C(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 1147291230 MLAHLHTWSUUKJZ-MRXNPFEDSA-N 401.511 1.915 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N(CC(=O)NC)CC(=O)NC)s1 1154130353 RJZJVQLHQZGURK-UHFFFAOYSA-N 404.945 1.159 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1164160387 DGBKXXYAXLEASR-QGZVFWFLSA-N 404.419 1.637 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 1165488665 CASIVLKONFWYHC-VUHPKUFZSA-N 402.520 1.776 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)nc1Br 1176716040 BXBIWYMGMYGBRY-SECBINFHSA-N 412.269 1.360 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1192680021 HLHSRBGRVMTEKX-DZGCQCFKSA-N 424.489 1.978 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(F)cc2F)CC[C@@H]1C 1195454755 HZZMCBXFGUUDQV-HNNXBMFYSA-N 416.494 1.972 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)CC1 1204949271 RTOUWHHJPXMKAA-UHFFFAOYSA-N 409.508 1.334 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CCO)Cc3cccnc3)C2=O)cc1 1253793784 AMNVDQCAUMNTIP-GOSISDBHSA-N 407.430 1.179 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)N3CCC[C@](C)(C#N)C3)CC2=O)C1 1256121846 AGGDJADLWHAWCQ-VBKZILBWSA-N 405.499 1.542 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2ccc(C#N)c(OC)c2)CC1 1264537053 TXHXBCYSKAUHNE-UHFFFAOYSA-N 416.478 1.814 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1286272302 AXRNMHWPPMFKBU-MDOVXXIYSA-N 417.535 1.180 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCS(=O)(=O)CC)c1 1286309478 KZAMADCHEYBYRE-UHFFFAOYSA-N 415.519 1.646 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1286372976 ILGLPDREUWOVTQ-FMQUCBEESA-N 408.437 1.604 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286386258 XNIWQELGQYDUKT-QFBILLFUSA-N 401.536 1.738 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1286399677 LSGFOBHFGVCEEB-CQSZACIVSA-N 420.564 1.223 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1286440251 RLIQQGMEXNNJKC-UHFFFAOYSA-N 419.507 1.115 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCCNC(C)=O)CC1 1286489035 CLYAVNVVSUFTLB-UHFFFAOYSA-N 408.506 1.437 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286498378 GSUTVTQXAUOJTR-UHFFFAOYSA-N 416.551 1.423 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CC2(C(N)=O)CCOCC2)CC1 1286662707 VZIOUTADMMXMLJ-UHFFFAOYSA-N 410.522 1.948 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1286753688 GYXLXBOHCFTIOP-OLZOCXBDSA-N 405.471 1.491 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccco1 1286788451 WQOSZLHHDMMLCX-GJZGRUSLSA-N 419.507 1.417 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCOC2)C1 1286807788 RBKGVUZRNZLMSS-DYESRHJHSA-N 402.470 1.941 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(O)c2)C1 1286809016 GBGFXQZHKDFZAB-SJLPKXTDSA-N 418.519 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cnn(CC)c1 1286816025 DUUHJDKFVGVQSG-UHFFFAOYSA-N 415.523 1.794 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCSC2)C1 1286818421 ILIIWHXEAKNDCY-GOSISDBHSA-N 422.580 1.613 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)(C)C)n1 1290646053 FIKGNODAHKBKAQ-INIZCTEOSA-N 414.514 1.173 30 10 HDEE Cc1nnc(N2CCc3ccc(Cl)nc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290817093 ZKIYBCFVXQAAKI-ISLYRVAYSA-N 413.869 1.724 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)NCc1ccco1 1290859313 ONFBFIKJXFBOPX-UHFFFAOYSA-N 406.450 1.089 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[S@](=O)C(C)(C)C 1300512918 NSYHFGZHQCBIFS-LGGPFLRQSA-N 420.579 1.939 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(COC)CCOCC1 1300665300 YGTDLPXVZNYYCP-UHFFFAOYSA-N 401.511 1.813 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(F)cccc1F 1300666083 SQQISRHWUXUIBH-KRWDZBQOSA-N 403.433 1.836 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NCC)CC1 1300983313 WSUCGJWUSNQBNW-UHFFFAOYSA-N 415.542 1.134 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)cc1)C1CCOCC1 1301134716 ZHRGOSJKOHGSDC-HNNXBMFYSA-N 415.309 1.272 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(S(=O)(=O)CC)CC1 1301491384 IEGDMRLVOQQPIT-UHFFFAOYSA-N 417.535 1.651 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1301546552 TVNDHGVIMZCZJC-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1301821910 ANRUBVVFQNONEI-JTQLQIEISA-N 412.817 1.792 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CC(=O)N2CCOCC2)cc1 1302988771 BLAWNQPMHJTMQO-UHFFFAOYSA-N 405.462 1.416 30 10 HDEE N#Cc1cc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccn1 1309956596 CHYCVYOLHHHLIG-UHFFFAOYSA-N 420.516 1.606 30 10 HDEE N#Cc1ccc(CNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1F 1311846844 IAIMKKQUGGYOLW-UHFFFAOYSA-N 411.441 1.025 30 10 HDEE CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(c2ccccc2C#N)CC1 1314548808 OPTXNAPBXKQTCH-UHFFFAOYSA-N 417.539 1.114 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1315893542 ZHVWGTOEEGBFCC-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN2CCCO)CCO1 1316541334 WWYDIRNWUDPKEY-ZWKOTPCHSA-N 416.551 1.506 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1320932970 RJKZBNNKEYQBTG-WBVHZDCISA-N 405.520 1.943 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 1342228007 GRICFMGNGXLMNE-IBGZPJMESA-N 404.486 1.185 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccsc1C#N 1352396450 DGWMXERAHMYZTN-UHFFFAOYSA-N 420.516 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CC(=O)N1CCN(c2ccccc2)CC1 1358899383 MBRROPSOIKXVAY-SFHVURJKSA-N 410.522 1.621 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1358926269 JFHMYHPKPIPAID-LJQANCHMSA-N 409.538 1.440 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1358927064 LZDRCCRNNZLGHF-MRXNPFEDSA-N 423.525 1.921 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359053886 CMUREYMKIVYJSN-MRXNPFEDSA-N 405.549 1.720 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](C(N)=O)C1 1359058637 KYJLOTAAAFAODH-QGZVFWFLSA-N 413.547 1.946 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](OCCOC)C1 1359083675 OUBYSNFTYCRDJT-ZIAGYGMSSA-N 401.305 1.932 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)C(=O)NC)CC1 1359162371 OGMHIFBDLUKKMX-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359298876 OHAPTBSGAYMKIS-IERDGZPVSA-N 412.494 1.335 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(=O)NC)c2)C1 1359322395 VBHPOEGGMFVUDB-OALUTQOASA-N 411.506 1.971 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)C2=O)cc1 1448832844 BLDCPDYAEPQAGW-ZNMIVQPWSA-N 408.380 1.090 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1449745754 KVALSHMGDOPGIA-OAGGEKHMSA-N 414.911 1.333 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1454244111 GYKFRSCQZTUURD-UHFFFAOYSA-N 412.515 1.830 30 10 HDEE COc1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ccc1OCC(N)=O 1456058957 FXWUFEGWOREPBO-INIZCTEOSA-N 409.446 1.543 30 10 HDEE CCOC(=O)c1ccc(NCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1 1457164940 RDSHMQKTMPDKQU-KRWDZBQOSA-N 421.457 1.711 30 10 HDEE C=C(C)CCNC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1468245264 UBMPQJIZEHJCCI-HNNXBMFYSA-N 422.956 1.504 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C 1471130572 QBGCQKHVATUAFY-FZKQIMNGSA-N 412.471 1.168 30 10 HDEE C#CCN(C)CCCNC(=O)N(C)[C@H](C)c1ccc(N2CCCS2(=O)=O)cc1 1478736390 NCFXRGNVZCNAKA-QGZVFWFLSA-N 406.552 1.884 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNS(C)(=O)=O)c1 1492543186 CPTGEEQPMUQBSJ-GOSISDBHSA-N 422.486 1.157 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1501407429 XNOXRLKDZGNBNZ-QFBILLFUSA-N 407.522 1.968 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1OC 1505123288 BFFGEJFQLATXQT-WMIGDMCZSA-N 413.478 1.207 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)N(C)C 1507643041 GBSBLWRQQSKPPR-UHFFFAOYSA-N 405.911 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCOC[C@H]2C)CC1 1507733566 CYQOEQZVGXWULT-QGZVFWFLSA-N 402.543 1.088 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCC(=O)N2)CC1 1507734631 RMTUPGSXPSHNDU-MRXNPFEDSA-N 410.478 1.091 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OCC)CCOC1 1507758027 GNRNQFVNCAOOGC-HNAYVOBHSA-N 407.540 1.011 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@H](C)C1 1508095824 WIJYPECBTLAHAR-QGZVFWFLSA-N 413.522 1.989 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCNC(=O)c2cc[nH]n2)C1 1508111200 DJJSDCPUQOBOTM-QGZVFWFLSA-N 407.478 1.880 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1525110004 SXGQBVLPVVCREJ-SFHVURJKSA-N 404.488 1.151 30 10 HDEE C#CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 1526802552 MUIAOBIEYCLRDB-UHFFFAOYSA-N 415.471 1.757 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2 1531180755 FLJRCBLYAUQTCN-INIZCTEOSA-N 414.458 1.823 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1536900739 FUXYVNAGRLSGHF-ZOBUZTSGSA-N 420.487 1.331 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](CC(C)C)C(=O)N3CCOCC3)CC2)o1 1537436705 YKRJYPRGRICMQT-KRWDZBQOSA-N 417.510 1.461 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1539005082 PAIYYJHZYVNKCF-JLJPHGGASA-N 412.469 1.170 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1539014548 MCQZLHXTLFISMD-BBWFWOEESA-N 416.551 1.721 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CCOC)c1 1539021519 JZMKUHBKFKARTA-QGZVFWFLSA-N 418.505 1.866 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@@]1(O)CCN(C)C1 1539148029 MNHCCAFUAGILIB-VGOFRKELSA-N 413.522 1.953 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1539369873 PCPGCUCWTAOAAI-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)Oc2ccccc2)CC1 1539428312 PWBLSFIZOJMGIW-SFHVURJKSA-N 410.522 1.639 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H](COC)OC)CC1 1539452801 YUJLDAPZXOTYEM-MRXNPFEDSA-N 419.476 1.564 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C1CCOCC1 1539809042 ZTLMSRDNWRFVAO-LJQANCHMSA-N 406.504 1.174 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539974172 MFJZVSWDITYDJU-DLBZAZTESA-N 400.527 1.814 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@H]1CCOC1 1541798450 JNCGGAZNCDYITB-HOTGVXAUSA-N 413.482 1.859 30 10 HDEE Cc1cn(C(C)(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 1543122414 TVGBPWRRZHVHBL-UHFFFAOYSA-N 401.492 1.331 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1 1544312280 TTWQECGJBNULGP-CQSZACIVSA-N 410.430 1.442 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCC2(O)CCOCC2)C1 1555984998 GGJCUUMNUNKURF-IBGZPJMESA-N 400.458 1.637 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1558751192 PNRMYSSIFAOADQ-FUHWJXTLSA-N 408.495 1.915 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@@H](Cn2ccnn2)C1 1560012935 DOYVDVWPPWPPKB-JKSUJKDBSA-N 400.508 1.869 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)cc1 1561248784 BCWRCUQNBAWSJU-FQEVSTJZSA-N 412.515 1.586 30 10 HDEE N#Cc1cc(CNC(=O)CS(=O)(=O)Cc2ccc(Br)cc2)ccn1 1568544183 XNVMEPXRNJUAGN-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE Cc1nc([C@@H]2CCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n[nH]1 1570396986 ZJJMSQUQIJLBPE-GDBMZVCRSA-N 407.434 1.206 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(C)(C)[C@]2(O)CCOC2)s1 1570645166 SSZGDZSYJPLJOV-KRWDZBQOSA-N 402.538 1.049 30 10 HDEE CCOC(=O)C1=CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1586293210 ITIFVPSZFYPQCV-WBVHZDCISA-N 410.430 1.531 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCCN(CC)S(C)(=O)=O)CC1 1588741854 JFZTZZSYZBOUJO-QGZVFWFLSA-N 410.588 1.218 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)c2ccccc2)CC1 1588800649 LYAOMUXRDIAMOJ-QHCPKHFHSA-N 404.518 1.947 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1589069282 JNGFXXRCROXYHY-HNNXBMFYSA-N 404.540 1.142 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1594096496 BYOLNPGWUABPCO-ZIAGYGMSSA-N 402.467 1.761 30 10 HDEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594738555 ABGWRDQZOABGLS-GOSISDBHSA-N 408.506 1.291 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](OCCOC)C1 1595522615 HIBCAZJJQJUTQT-OAHLLOKOSA-N 403.458 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@]2(CCOC2)C1 1595785275 VDJBIXXWCWXQCP-IBGZPJMESA-N 403.508 1.558 30 10 HDEE C#CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597138585 NVTJXZODXFCERZ-HNNXBMFYSA-N 418.581 1.673 30 10 HDEE C=CCN(C(=O)C[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1597171206 UNNVNHRKYNYKTA-HNAYVOBHSA-N 416.540 1.340 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 1598394748 NHWCEOCQHPWHKI-STQMWFEESA-N 420.369 1.709 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCO[C@](C)(C#N)C2)cc1 1611484282 DBIFTQVAEKBCBS-AZUAARDMSA-N 419.503 1.573 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cc(C)on2)c1)C1CCOCC1 1611604230 PIZKSXFMWWGHBG-KRWDZBQOSA-N 403.460 1.942 30 10 HDEE C[C@]1(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1611804233 NFQDXDOALAICGU-JXFKEZNVSA-N 401.442 1.542 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](Cn2c(=O)c(C#N)cn(CCO)c2=O)CC1 1614708790 QJRNPMKOLHVYAG-SHTZXODSSA-N 406.483 1.205 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1616336867 SXLBZWBHCYIOKN-HZVDNRATSA-N 423.535 1.420 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1617381308 VIGBRSJMSYJBCY-UHFFFAOYSA-N 422.413 1.390 30 10 HDEE CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[C@@H](O)COc1ccc(CC#N)cc1 1620502559 HXNJRBSCJMZEPT-ZWKOTPCHSA-N 407.511 1.652 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)ccc1C#N 1622134632 HRMBQFCIHSLPPI-KBPBESRZSA-N 401.410 1.898 30 10 HDEE C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1622175739 ABYLYQSOWQAPED-VIFPVBQESA-N 409.215 1.470 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3cccc(Br)c3C#N)CC2)n[nH]1 1622531335 DHEDDCDNSMLKFI-UHFFFAOYSA-N 411.285 1.258 30 10 HDEE C#C[C@@](C)(CC)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1624414722 GSQFUIFODFPMST-SFHVURJKSA-N 411.480 1.922 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H](C)C(=O)NCC(F)(F)F)c(C#N)cn1CC 1625717789 CCIGLVCDNJZLDK-VIFPVBQESA-N 403.361 1.745 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cnn(CCO)c2)CC1 1628596712 GVJBCFIAMFAHAN-QGZVFWFLSA-N 418.295 1.661 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)c2ccc(F)cc2)cc1 1629943285 VVODAYWXHPBFPK-INIZCTEOSA-N 405.451 1.524 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1633175655 KXABYHHKSGDVKK-QGZVFWFLSA-N 410.536 1.929 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1636512624 NIJPSVKHTYVSRF-TWOQFEAHSA-N 419.503 1.649 30 10 HDEE COC(=O)[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1637400914 BBTRXKCSKCSMHR-CQSZACIVSA-N 424.335 1.260 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)C1 1638075504 QTUPCBPVSVJKIQ-LYYZXLFJSA-N 411.424 1.186 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1642103395 XSYHOYQNOMEMQJ-SJORKVTESA-N 401.825 1.944 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)C1CCN(CC(F)(F)F)CC1)c1cc[nH]n1 1642769492 AUXVAZHMLYTXCU-UHFFFAOYSA-N 419.404 1.179 30 10 HDEE CCCOc1ccccc1C(=O)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1643808871 VJRZXSVVZMGNBX-UHFFFAOYSA-N 415.471 1.624 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 1645239574 LMDAWDMGYPOJHJ-IBGZPJMESA-N 403.504 1.916 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(S(C)(=O)=O)nc2)CC1 1645249907 KPZAQFPMKNGWTL-UHFFFAOYSA-N 421.519 1.752 30 10 HDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1648002945 XJOJEEHKOWSQBR-QGZVFWFLSA-N 404.492 1.578 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN3CCOCC3)cn2)c1 1648696814 GOKCXAGNCMWNMQ-UHFFFAOYSA-N 414.487 1.078 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3[C@H]4CC[C@H]3CC(CCO)C4)C2=O)cc1 1650776545 WZGVMXDUQCNOIE-FHWLQOOXSA-N 410.474 1.915 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1 1659432426 DYCHQUYDHKBBCX-UHFFFAOYSA-N 405.567 1.760 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2-n2cccc2)CC1 1668896590 ZRIYGYWFNDZAQU-UHFFFAOYSA-N 421.910 1.748 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)C1 1671357996 KKTQLBSGAADXAV-QGZVFWFLSA-N 420.535 1.699 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N2CCN(C(COC)COC)CC2)c1 1678975176 FOPBXQXOMIKOBL-LJQANCHMSA-N 404.511 1.856 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)nn1 1680990624 UMVXMHNHKRCKCM-QZTJIDSGSA-N 404.902 1.989 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc(C(F)(F)F)cs1 1681852584 XJWFMANAXAIYIE-ZDMBXUJBSA-N 408.427 1.803 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCCNC(=O)c1ccc(Br)cn1 1683959781 QKFUIAVCVPCHBQ-CQSZACIVSA-N 409.284 1.446 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1C#N 1683990121 DCMWYTQAOQRXNL-UHFFFAOYSA-N 422.514 1.964 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](F)COC 1689851394 PXCGPRFCMSDQTK-WBVHZDCISA-N 401.490 1.895 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1OCC[C@H]1C 1689959592 FXSSKGQVYZHBQK-GDBMZVCRSA-N 402.524 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](CCC)OC)CC1 1690144314 UMZOFTJSBVTBMQ-IRXDYDNUSA-N 416.526 1.010 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCS(=O)(=O)C1 1690262712 KRDJZILQKFRYOI-AWEZNQCLSA-N 421.523 1.843 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1690310058 RTJRYBTVKZBYFI-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=C(Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1)c1ccccc1 1690325640 DEPWSFHLBMWBIE-GCJKJVERSA-N 411.506 1.955 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690496391 PFXHIBSSELRVPP-LHHMISFZSA-N 408.499 1.329 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CCCO 1690520028 HLYZLBYIHMWPBD-IBGZPJMESA-N 423.525 1.390 30 10 HDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCC(OCC(N)=O)CC1 1690631148 QZGCCRANWANODT-UHFFFAOYSA-N 407.478 1.992 30 10 HDEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CC#N)CC1 1697989394 YQSRFYQWIKNTGU-UHFFFAOYSA-N 400.531 1.777 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705571099 WPQNEDLSUIJTLW-VPWXQRGCSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCO2 1705587598 BFCBYYPRJAQPJF-UHFFFAOYSA-N 407.474 1.699 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1705639413 NKYFTCGVMCKVLT-QGZVFWFLSA-N 409.494 1.076 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705821239 PMUHWEIOVFLKEP-UHFFFAOYSA-N 418.567 1.996 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)C1 1705925597 RIAUHTXGCKSXHA-DLBZAZTESA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](n2cncn2)C1 1705939450 XNBSIBMWVMSDAN-JKSUJKDBSA-N 421.527 1.163 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1705946225 BWQMLDZXRPSXBE-OAHLLOKOSA-N 412.581 1.859 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCCOC(F)F 1706870039 UXBGZTYNFIWZFS-LBPRGKRZSA-N 420.486 1.648 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@H]1C 1708234266 KWMMFPNJKPLDKN-HZPDHXFCSA-N 407.482 1.898 30 10 HDEE CC[C@H](Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1708774887 UFCAVMFCNLFDGC-RCCFBDPRSA-N 406.531 1.605 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1712168335 BOILDZWDOCQXSO-IKGGRYGDSA-N 414.441 1.736 30 10 HDEE COCCOCCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712608879 XGDBHYPQTRYPAC-MRXNPFEDSA-N 414.514 1.407 30 10 HDEE C=CCCCN1CCN(C(=O)[C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1713145387 YASQOUZSYFXLRZ-ZJKGHYPUSA-N 401.551 1.759 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCc1cn[nH]c1 1722355462 XDPZQPKACNGYRG-MRXNPFEDSA-N 415.498 1.622 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1722382594 ASFFOYFEBVOBQQ-QGZVFWFLSA-N 421.567 1.510 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)OC(C)(C)C1 1722451342 JBSGRBJJWUINHA-KGLIPLIRSA-N 415.585 1.258 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)N(CC)CC)CC1 1722619517 FRNAOKPAMBRDRL-UHFFFAOYSA-N 417.558 1.951 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1722622762 SXZQYWIZFFQIDI-UHFFFAOYSA-N 401.515 1.559 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(F)(F)C1 1723933986 ICQJTAKHXNCRNY-SLEUVZQESA-N 420.461 1.766 30 10 HDEE CCO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728947555 QUHPMMJBSUDIRL-ZFWWWQNUSA-N 422.511 1.407 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1729666826 YJTYRJCCLKMSRS-JTSKRJEESA-N 421.505 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1740542071 NOPVMTBYHOJZAV-OAHLLOKOSA-N 415.461 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1740552972 POUZHPJISMCAPT-HZPDHXFCSA-N 415.519 1.667 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)cc1OCCOC 1740612803 IZFPQPUCEKBWCI-UHFFFAOYSA-N 411.506 1.852 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1740624814 LVRNKOIDNRPSDM-ZWKOTPCHSA-N 405.568 1.199 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc(C)s1 1740633111 VOVRQGMBPDMXCT-IBGZPJMESA-N 400.508 1.406 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1740687964 JDJFCSQPKFHXFW-OAQYLSRUSA-N 417.485 1.149 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1740717208 MHEGBYCIRXAULC-MRXNPFEDSA-N 423.608 1.221 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740810646 DZHNPWMOYIANGR-GRYCIOLGSA-N 402.860 1.047 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(COC)CC1 1740989348 JZKKECVFGSJWNC-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC)(CC)C1 1740991327 UDGNDWBPSMUXIN-OAHLLOKOSA-N 409.556 1.847 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1741001525 WULLPFJOVBMIAH-HNNXBMFYSA-N 404.540 1.841 30 10 HDEE C[C@H]1N(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CCOC1(C)C 1743374942 HEIPGSRHBUOJAF-OPAMFIHVSA-N 410.522 1.887 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@@H](C)C(=O)NC)n1CCN/C(O)=C1/N=CC=CC1=O 1743558118 XDZZBZZKEICXGR-SZFSDLTGSA-N 417.514 1.136 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1F 1747572092 FIMOXHXRTLVJFN-ZBFHGGJFSA-N 413.457 1.211 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1748182169 HWQIYRMCKOKAED-MRXNPFEDSA-N 405.462 1.739 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1748818076 VGDPAQBHQUIBMT-MSOLQXFVSA-N 424.567 1.471 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cc2ccccc2[nH]1 1748846124 CYAAEPARDGJKER-GOSISDBHSA-N 421.526 1.977 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(Cl)c2)n1CCNS(C)(=O)=O 1748882028 JWYIUVAOMOHZDO-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1Cc1cn(C2COC2)nn1 1748964751 JCRSWMDCFQSQLC-UHFFFAOYSA-N 413.507 1.228 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cn3ccccc3n2)CC1 1748971552 VDWWFTPMPSJPSQ-UHFFFAOYSA-N 420.521 1.062 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1749163858 QZCDZGRKMUSSMY-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749740968 LTOBERZLHGYZQH-CQSZACIVSA-N 413.569 1.057 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccco1 1750027514 MYBHFMFRCOXOIW-WBVHZDCISA-N 400.483 1.820 30 10 HDEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C(N)=O)C2)o1 1750382789 KQNGBKNFFRNERO-LBPRGKRZSA-N 412.400 1.972 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@](C)=O)CCC2)cs1 1751782485 JOZTUKYBPOYHRR-HBIPHATFSA-N 420.564 1.664 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1752389037 UMSIRHQJMIZACX-IIBYNOLFSA-N 413.478 1.759 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760162449 SXKXGZZQWVTUKW-OAHLLOKOSA-N 400.483 1.454 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1760218429 GOORRHKOMHNJOV-KRWDZBQOSA-N 404.536 1.338 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCOCC1 1760287209 KHWQASGUDMYQRM-HTAPYJJXSA-N 416.570 1.909 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760518522 BASHPPPHUUITTC-RDJZCZTQSA-N 401.467 1.533 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCSCC1 1760526422 NRVGXGJTVAOBPU-UHFFFAOYSA-N 406.537 1.125 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(C)=O)CC2)cc1 1760530705 XEHKNXXGJRIGFB-UHFFFAOYSA-N 421.505 1.960 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1764188827 YMSXLQLJRTVEIB-MRXNPFEDSA-N 419.530 1.088 30 10 HDEE CCNC(=O)C1(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CCC1 1765612072 VCXPTDWSZSJCAN-UHFFFAOYSA-N 408.510 1.486 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ccccn2)CC1 1766870460 CLASNOMYKPXQSR-UHFFFAOYSA-N 416.489 1.627 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1767552873 AGCPCDIOHNYQRF-UHFFFAOYSA-N 424.553 1.842 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1767984613 CGZVZCQHWNSQCB-UHFFFAOYSA-N 421.523 1.635 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCOC[C@H]1C 1771113070 HWFIXMXLYVXODC-SJORKVTESA-N 404.515 1.440 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1771223626 XOYREHXYUFIOPL-IEBWSBKVSA-N 420.558 1.995 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 1851048870 GHLHANFXMQUYGD-DZGCQCFKSA-N 417.409 1.609 30 10 HDEE N#Cc1c(NC(=O)CN2CCOC2=O)n(CCc2ccccc2)c(=O)c2cccnc12 1851530789 SIFNQPLHLXBAKE-UHFFFAOYSA-N 417.425 1.902 30 10 HDEE C#CCN(C)C(=O)[C@@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851594549 RXQBJHFPJMRUJC-IBGZPJMESA-N 400.456 1.743 30 10 HDEE N#Cc1cn(CC(=O)O[C@@H]2C(=Cc3ccccc3F)N3CCC2CC3)c(=O)nc1O 1851826023 KFVOWHNHKAZFEQ-IBGZPJMESA-N 410.405 1.638 30 10 HDEE N#Cc1ccc(CNC(=O)CCCCCN2CCN([C@@H]3CCCNC3=O)CC2)cc1 1852040456 QUBVIZRAGDODJM-OAQYLSRUSA-N 411.550 1.631 30 10 HDEE C[C@H]1CCCN(C(=O)CO[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852146332 DAPAVPFLMQFZQT-GHTZIAJQSA-N 401.507 1.913 30 10 HDEE C=CCN(C(=O)CSc1nnc(-c2ccccc2F)n1C)[C@H]1CCN(C)C1=O 1852268197 ZLDYFHSIIHXOER-HNNXBMFYSA-N 403.483 1.959 30 10 HDEE COc1ccc(CN2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852468583 NOAQJTGFWYGWMB-PKOBYXMFSA-N 422.441 1.674 30 10 HDEE N#C[C@H]1CN(CCCC(=O)Nc2ccc(I)cn2)CCO1 1852747789 QAACTNKTHYJAAT-LBPRGKRZSA-N 400.220 1.629 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)c2cccc([C@@H](C#N)c3ccccc3)n2)CC1 1852834496 GKASALUEKDQMJA-IBGZPJMESA-N 405.502 1.973 30 10 HDEE Cn1cnnc1CN1CCN(C(=O)Cc2ccc(C#N)cc2)C(=O)C12CCCCC2 1853958762 LGARDIXBFDJWRQ-UHFFFAOYSA-N 406.490 1.803 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cc(OC)ccc2OC)C1=O 1854176614 YVJHNCFMNQLSMV-ZWKOTPCHSA-N 415.490 1.093 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)CN(CCN3CCOCC3=O)c3ccccc32)c1 1854526625 SZURJHLAZHHPHQ-UHFFFAOYSA-N 404.426 1.410 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1855552279 CCKFXBMDCCJQPD-QGZVFWFLSA-N 405.520 1.334 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCN(S(=O)(=O)C(C)C)CC2)CCC1=O 1855570960 PSLBNMJQNACTQY-ZWKOTPCHSA-N 413.584 1.710 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1=O 1855823920 DCIBESHISRYLDS-WMZOPIPTSA-N 409.552 1.359 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@H]3COc4ccccc43)CO2)cc1 1855834090 BSFFANVAVDYNML-PBHICJAKSA-N 400.412 1.582 30 10 HDEE CN1C[C@H](C(=O)N2C[C@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)CC1=O 1855860930 BHDNDLUITFYPHC-ZWKOTPCHSA-N 408.502 1.397 30 10 HDEE Cn1cnnc1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1(C)C 1855999507 RCNGQBIKSQYNJK-UHFFFAOYSA-N 400.870 1.798 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CCCC[C@H](N(C)CCC#N)C3=O)CC2=O)c1 1856452050 PEWJIEQOKPVPDG-LPHOPBHVSA-N 412.490 1.801 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cncc(OC(C)C)c2)C1=O)[C@@H]1CCN(C)C1=O 1856728626 MCWQEQPQFZXDTD-RBUKOAKNSA-N 414.506 1.719 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cncc(N(C)C)c2)C1)[C@H]1CCN(C)C1=O 1857075105 XIFAMQBITRDOFS-LPHOPBHVSA-N 413.522 1.245 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(C)cc2)cc1 1858642817 CLZGEBHCEJGLJD-UHFFFAOYSA-N 417.487 1.864 30 10 HDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706476 XRFYXYGXUAVSIO-KRWDZBQOSA-N 414.370 1.880 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 1885929193 VUDQBUXLCYLGJD-KBPBESRZSA-N 401.504 1.848 30 10 HDEE N#CC1CCN(CCNC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)CC1 1890010724 YEJUYWGFTZAMMB-UHFFFAOYSA-N 409.446 1.770 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCC(COc4nccnc4C#N)CC3)cc2n1C 1891223982 DKEFULHCOJXNIC-UHFFFAOYSA-N 406.446 1.470 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H]2CC[C@@H]2NC(=O)OCc2ccccc2)CCOCC1 2054403566 ASDKTGOVUXTFNR-DLBZAZTESA-N 407.492 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 2118162615 KSQPXFVTDRSHIV-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE CC1(C)OB(c2cnc(N3CCSC[C@H]3S(C)(=O)=O)c(F)c2)OC1(C)C 2172702813 AVDXVHONMVZJAX-CYBMUJFWSA-N 402.322 1.444 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@H]2COC[C@H]2N1C(=O)OC(C)(C)C 2174780781 YBVWDYVQSIMMBH-XUWVNRHRSA-N 401.529 1.726 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCC12COC(CNC(=O)OC(C)(C)C)(C1)C2 2174789713 UMASVIJJWZRBBI-RWBZWWBESA-N 401.529 1.775 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ncc(I)cn2)c(N)c1 2189860466 MXVDSVSHMRIFLQ-UHFFFAOYSA-N 401.189 1.336 30 10 HDEE N#Cc1cc(Br)ccc1OC[C@@](N)(C(N)=O)C1(Br)CC1 2206622355 ILXCWDQSXMWEOP-CYBMUJFWSA-N 403.074 1.810 30 10 HDEE Cn1cnc(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)c1Br 2232271440 RQYAJCGPNXXTHK-UHFFFAOYSA-N 407.121 1.953 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)CC1 2247863408 QOIUUYOSDYKUJG-UHFFFAOYSA-N 421.303 1.776 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167545 CVPDCTWFACMLNB-IRXDYDNUSA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC3(CSC3)C2)OC1(C)C 2267470459 LAVYBDWGAWXKEQ-UHFFFAOYSA-N 401.384 1.926 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@@H](O)[C@H]3CF)sc2Cl)OC1(C)C 2281967712 QTRGTPXJQKRYLZ-SCVCMEIPSA-N 405.684 1.216 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]3(CF)CCNC3)cc2Cl)OC1(C)C 2282306446 NCYGFZWKQXULEX-HNNXBMFYSA-N 424.756 1.681 30 10 HDEE CO[C@H]1C[C@@H](CF)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343920 IMDBBHDRVGNLML-STQMWFEESA-N 405.322 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC2(O)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282415624 KDTDARSLPSIUTF-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE C[C@H]1COCCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503445 ABMNHICOLDHSMS-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCCCS2)n1 2282508671 ZPYLZHLMYZIMQD-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE CC(C)C[C@@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835991 DCVRVTXLGQMVMV-GFCCVEGCSA-N 404.363 1.269 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282843284 LBVONVYHQPSFJO-NWDGAFQWSA-N 418.415 1.337 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](N)CC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282847306 XHYIBECIIKBXFB-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282850609 QZGQCQPEDLFGRA-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE Cn1nc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)cc1Cl 2282862040 XWZAJAXRLQFDCA-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2(CN)CCC2)c1B1OC(C)(C)C(C)(C)O1 2282869285 AERWOHBZDZKCDJ-UHFFFAOYSA-N 400.375 1.824 30 10 HDEE CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882360 KPTRYQQUSVIWRR-CQSZACIVSA-N 402.391 1.912 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@H](C2OCCO2)C1 2285201744 GJAUBBIRZMQLTN-HNNXBMFYSA-N 402.300 1.914 30 10 HDEE N#Cc1nc(C=C2SC(=S)N(C[C@@H]3CCCO3)C2=O)oc1N1CCOCC1 2296851805 IQHXSPOPTGJIMU-NSHDSACASA-N 406.489 1.763 30 10 HDEE C=CCc1cc(C=C2C(=O)NC(=S)N(C)C2=O)cc(OCC)c1OCC(=O)OC 2297620232 BFIIXYBCYAXVCR-UHFFFAOYSA-N 418.471 1.622 30 10 HDEE C[C@H](C#CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)NC(=O)OC(C)(C)C 2341224724 MONRKOTXBSZIAU-SNVBAGLBSA-N 401.872 1.843 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362338036 BPQZSGRNVCAKBG-KBPBESRZSA-N 405.304 1.333 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2362771332 XRIVRPGXOPPUIU-JKSUJKDBSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2365209294 FQAYKJVXJCNLPY-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE COC1(CNC(=O)OC(C)(C)C)CC([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367793215 USJILTLUAJKRQX-CSLYMUCUSA-N 400.541 1.604 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)CN(C(=O)OC(C)(C)C)[C@H]1CCOC1 2367794796 JCEXOQPRPCPZCW-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367807022 PGBOYROYFZGRCZ-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@H](O)c2ccc(I)cc2)CC1 2367820589 WBFORRSVQFVAJV-CHWSQXEVSA-N 405.257 1.233 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)C#CC2(S(C)(=O)=O)CC2)C(F)(F)C1 2367842207 KAEHCKAFSFKNGK-INIZCTEOSA-N 407.435 1.143 30 10 HDEE N#Cc1ccc(NS(=O)(=O)c2c[nH]c(-c3nnc(C(=O)N4CCCC4)o3)c2)cc1 85808825 VHIHHJLIIDYYGM-UHFFFAOYSA-N 412.431 1.973 30 10 HDEE C#CCn1c(=NC(=O)c2cccc([N+](=O)[O-])c2)sc2cc(S(N)(=O)=O)ccc21 254484449 QFJRMAZBMMORAM-UHFFFAOYSA-N 416.440 1.633 30 10 HDEE COC1(C(N)=NO)CCN(C(=O)c2sccc2I)CC1 312806030 BEEYEELYGJFZQC-UHFFFAOYSA-N 409.249 1.720 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)OC)cc2)CC1 438464250 YYJAWYSPLLYDKP-UHFFFAOYSA-N 402.495 1.589 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(C(C)C)nnc4[C@@H]3C)CC2)o1 439284359 MKEIJTVNOVEEIV-AWEZNQCLSA-N 412.498 1.295 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(C#N)c(OC)c2)CC1 442882668 FFSWYEVXSVGSQX-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE COc1cc(CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)ccc1C#N 460585617 LUHMSMYZSPRCSJ-UHFFFAOYSA-N 402.410 1.820 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CC1 460694727 XXITVALJUMAVAN-LJQANCHMSA-N 404.474 1.549 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(CCOC)C(=O)C1 460934945 IYIIHTFXHWVFIZ-UHFFFAOYSA-N 413.482 1.187 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2nn(C(C)C)cc2C#N)n1 471015862 AMQAXYNWUPCOJZ-UHFFFAOYSA-N 404.452 1.266 30 10 HDEE Cc1nn(C)c(N2CCN(CC(=O)N(CC(C)C)CC(F)(F)F)CC2)c1C#N 472160432 UQKJNSPUNLYGEW-UHFFFAOYSA-N 400.449 1.769 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)CC2)cc1 474158683 GFOJEQBOCLTRCQ-SFHVURJKSA-N 403.504 1.243 30 10 HDEE COc1cc(C#N)cc(Br)c1O[C@@H](C)C(=O)N1CCN(C(C)=O)CC1 479932239 PIFPELMQJZRRSG-NSHDSACASA-N 410.268 1.787 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 480782361 XDWHACIDHYKICE-OAHLLOKOSA-N 418.406 1.685 30 10 HDEE COCCOc1ncccc1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 481535713 PTBOPVHYTOYXJH-CYBMUJFWSA-N 404.448 1.284 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCC)CC1 485050445 DKBRDKJKODCCKX-UHFFFAOYSA-N 417.462 1.714 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 489190843 VUBWYVWWTFBNQB-CYBMUJFWSA-N 408.505 1.552 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 502783544 ZXQOUDLEAMFMMY-IERDGZPVSA-N 421.453 1.979 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@H]2C1 509014382 XDNUJRXFVOYVOI-QGZVFWFLSA-N 416.913 1.568 30 10 HDEE CCO[C@H]1C[C@](NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)(C(=O)OC)C1(C)C 530290785 SXFGCHHDTAJZGX-KKSFZXQISA-N 418.494 1.934 30 10 HDEE Cc1c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cnn1CCO[C@H]1CCCCO1 545490347 AMRZYYDORMFBAN-NRFANRHFSA-N 424.505 1.964 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(C(=O)NCCC(N)=O)cc3)cc2C1=O 558322500 JALSUENTJBOTIE-UHFFFAOYSA-N 420.425 1.326 30 10 HDEE O=C(NCc1ccc(F)cc1C(F)(F)F)C(=O)N1CC[C@](O)(C(F)(F)F)C1 559623006 OEEPYWBALGAYAT-CYBMUJFWSA-N 402.266 1.986 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C(=O)NCCc3ccc4ccccc4n3)CC2)nc1 560877668 SCJZJXKXRGJJBX-UHFFFAOYSA-N 414.469 1.509 30 10 HDEE C=CC[C@H](CO)CNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 571457234 UBIQJTUEDXEERR-RTKOGAAISA-N 420.509 1.767 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)NCc2ccc(C#N)c(OC)c2)cn1 583854358 MUKZJAOCMGWALT-YMGMXPECSA-N 401.492 1.798 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ncc(-c3ccccc3)cn2)c1 589488560 FSMXJIKBOLYJQJ-UHFFFAOYSA-N 407.455 1.610 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)[C@H](C)C1 615326078 GPBDQPIZLSZJCG-CQSZACIVSA-N 407.430 1.763 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 732153281 GLFATTZMMVTXJG-DPHDRGAJSA-N 416.865 1.331 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC[C@H](C(=O)N3CCCC3)C2)C1=O 732191571 RNVIEALXMAKIFJ-HTAPYJJXSA-N 409.490 1.617 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CCN1C1CC1 732652409 ZWNUNUWFCLYVIZ-OAHLLOKOSA-N 422.938 1.937 30 10 HDEE C#CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 735039676 CIYARXYACIBTSA-HXUWFJFHSA-N 403.548 1.238 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CN(C)Cc2nnc(C)n2C)ccc1OC 746260815 ALGVOPKDUXRBCI-INIZCTEOSA-N 400.483 1.561 30 10 HDEE C#CCN(C(=O)CSCC(=O)Nc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 751275470 SWAOHMURIMKNBS-OAHLLOKOSA-N 410.517 1.016 30 10 HDEE C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 759629541 YMCDUUHERQRYLS-AWEZNQCLSA-N 401.488 1.910 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCOc1ncc(Cl)cc1Cl 762289923 FGOFHHDUFFXSRK-BUHFOSPRSA-N 414.249 1.593 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)cn1 765547277 MIGSMOSVBZJNJT-HNNXBMFYSA-N 401.496 1.437 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCC[C@]2(C)NC(=O)OC(C)(C)C)CC1 765561047 YJKNBVBRESWDLG-JTSKRJEESA-N 422.570 1.906 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](C)[S@@](C)=O 766733071 QKWSCNXLBHCZFN-FZUWOLFOSA-N 413.565 1.557 30 10 HDEE C#CCN(C(=O)NCc1c(C)nn(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 774148507 NSTUVSIEUZFHDM-GOSISDBHSA-N 400.504 1.821 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)Nc2cnn(CC#N)c2)ccc1Br 781983826 FGTNIQIEVAKXKO-UHFFFAOYSA-N 406.196 1.533 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 787055696 BJQYAOBNTBJOPM-AAEUAGOBSA-N 412.324 1.331 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NC(=O)c2n[nH]c3ccccc23)n1 790107663 JFXQAAPLTSXLTN-HNNXBMFYSA-N 408.462 1.186 30 10 HDEE C[C@@H](C(=O)O[C@@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 798740001 HRPFJGIIVYIPAA-GXFFZTMASA-N 404.224 1.822 30 10 HDEE N#CC1CCC(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 799426694 HGHZYVFBNWYAPF-HTWSVDAQSA-N 400.479 1.993 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](F)C3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 811391208 YOIUHCCTWVESBS-INIZCTEOSA-N 420.489 1.454 30 10 HDEE C#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(F)cc1 813255922 VXFIQGCFMKTDLV-QGZVFWFLSA-N 422.503 1.941 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1124440371 UUONIABMXCDIDW-BBRMVZONSA-N 400.447 1.779 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)c1 1125221680 IFUIGDZBNACZHA-IAGOWNOFSA-N 401.463 1.652 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1nsc2ccccc12 1131675435 YGSCPBLVHBFFAH-UHFFFAOYSA-N 400.485 1.694 30 10 HDEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1131719200 ZOIMTSYEIUGKCH-GJZGRUSLSA-N 409.464 1.150 30 10 HDEE C#Cc1cccc(N(CC)C(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)c1 1136643687 SUJSGBPOCDYWJR-UHFFFAOYSA-N 405.458 1.755 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588390 YUBULCBYHNWJSI-QZTJIDSGSA-N 422.570 1.859 30 10 HDEE N#C[C@@]1(NC(=O)CSc2ccc(S(N)(=O)=O)cc2)CCc2ccccc2C1 1138308838 GFWGOKRIERUNMG-LJQANCHMSA-N 401.513 1.994 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1141454354 CGTNWHDCAXRBBC-UHFFFAOYSA-N 403.454 1.980 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1143499739 NFGREHOVMKRXLL-MSOLQXFVSA-N 406.504 1.038 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2csc(NC3CCCCC3)n2)CC1 1144025425 CXGLNXMFIJFHND-UHFFFAOYSA-N 403.552 1.785 30 10 HDEE CC(C)(C)c1csc(C2CCN(C(=O)Cn3cc(C#N)c(O)nc3=O)CC2)n1 1146765071 IDLLPVVQLFDSOR-UHFFFAOYSA-N 401.492 1.981 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)C2)C1 1153002046 QDBMVCUBAIGPEG-QWHDWNGZSA-N 401.471 1.302 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c1 1153814839 AKEKDBYHMZHKLH-UHFFFAOYSA-N 411.333 1.963 30 10 HDEE C#C[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1171573689 SZARVMIUVRERAF-INIZCTEOSA-N 409.939 1.518 30 10 HDEE N#CCCn1cc(CN2CCN(S(=O)(=O)C3CC3)CC2)c(-c2ccncc2)n1 1182929622 DPRVTOSDWRGCMF-UHFFFAOYSA-N 400.508 1.469 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)c1=O 1189745874 MZNKNLLMLNINES-HXUWFJFHSA-N 410.474 1.312 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)cc1 1191682646 QLSNALPDSQPKPS-LJQANCHMSA-N 400.523 1.487 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)C1 1213680564 UQLWLUGMKLLLPK-GFCCVEGCSA-N 410.439 1.356 30 10 HDEE Cn1nccc1[C@H]1C[C@@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1226375612 FTVKONPYLFTDEI-PKOBYXMFSA-N 409.494 1.875 30 10 HDEE CC(C)(C)O[C@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C12CCC2 1253068075 MTSFBXCOZLFFTO-GJZGRUSLSA-N 401.467 1.513 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2cnc(I)cn2)ccc1F 1259412371 FAAJWDVDENAAOC-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1286296754 RQELFLIVKNMYMS-MRXNPFEDSA-N 417.535 1.371 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1286359092 WEDLOUTWKXYPDZ-IXDOHACOSA-N 403.527 1.561 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(C)(C)N1CCOCC1 1286465916 ULNHZIWZXBWLFE-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC(C)(C)C)n2CC(=O)N(C)C)n1 1286471357 LJYKWIATJCMWRE-UHFFFAOYSA-N 415.542 1.438 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)s2)CC1 1286471740 NUCZCPFUQUOTIA-HNNXBMFYSA-N 422.580 1.062 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N(C)CCC(=O)NC)nnc1[C@]1(OCC)CCOC1 1286562863 BFKBTFZRGPLRNU-MDKPJZGXSA-N 421.542 1.484 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1286709887 HRYFKTFONSCRQZ-RDBSUJKOSA-N 417.432 1.978 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1)C1CC1 1286738648 YWESVYPZGWILHH-LBPRGKRZSA-N 408.553 1.797 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC1CCC1 1286783756 KRZYVVJUUZKFMF-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE CC(C)c1nnc(N(CCO)Cc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1287187275 UVHFPZRFQZZWDW-XUTLUUPISA-N 424.505 1.927 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)c(F)c1 1288558858 VWCPURMXDUXAMD-YNBOMUFVSA-N 405.495 1.996 30 10 HDEE CC/C=C\Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1293700043 IVTHJCXBBLQSAC-CWIOURORSA-N 406.494 1.789 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1293719655 HNDXVNBYUPJCGA-ONEGZZNKSA-N 401.492 1.930 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)n1 1298865476 CCPGXRLEYKKGIB-GOSISDBHSA-N 400.393 1.615 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1300325328 XVILLHVCKINQBX-VGSWGCGISA-N 413.522 1.780 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCCNC(C)=O 1300438070 FHMGERIIGSAWDZ-UHFFFAOYSA-N 417.539 1.142 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCOC[C@H]1C 1300459836 JAPMPPSPUGHVOR-CVEARBPZSA-N 416.551 1.980 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@@H]1CCS(=O)(=O)C1 1300481967 CRBUEMORPBGZFC-FUHIMQAGSA-N 422.551 1.366 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1300583724 KMRRIZGMPVGEMA-UHFFFAOYSA-N 417.510 1.410 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(COC)CCOCC1 1300666413 YPJDZEXHJFAFLN-GOSISDBHSA-N 406.527 1.701 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC[S@](=O)C(C)(C)C)n1 1300676336 MPCJRNUEEYVAJI-NDEPHWFRSA-N 406.556 1.616 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1300695975 QFUBCYWBGWLXHR-ICSRJNTNSA-N 410.522 1.455 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(C)(=O)=O 1300790349 NRCAYLBEOOLFMG-HXUWFJFHSA-N 418.519 1.999 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300950884 QOJIHKNFMHRCSJ-LSDHHAIUSA-N 400.487 1.280 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1301451833 CMDBICYHYXPASS-UXHICEINSA-N 418.586 1.937 30 10 HDEE CC(C)CNC1(CO)CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1301531997 DNVNIXNQNLXVKF-UHFFFAOYSA-N 422.551 1.091 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301637549 VDUBMMGYHSFNTA-UHFFFAOYSA-N 405.462 1.510 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1301664199 GTWDNAHZUBDIGI-HXUWFJFHSA-N 419.489 1.804 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1301951489 ADPYQUOJMNRITI-ROUUACIJSA-N 417.558 1.347 30 10 HDEE CC(C)N(C)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303276737 NPASOAWVKOVLFZ-OAHLLOKOSA-N 411.510 1.657 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)cc1 1304190788 NYZLLQVGVNCQAM-HNNXBMFYSA-N 402.476 1.384 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1304271960 PKUUTKPJSIXAOR-XJHGMLBNSA-N 423.535 1.586 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)NC[C@H]2CCCN(CC#N)C2)cc1 1306652486 SVPOWJLISMXWFR-APWZRJJASA-N 416.547 1.952 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCC1CCC(C#N)CC1)CCS2(=O)=O 1312568123 ZLVDVRKYIRSZQS-LZUXJJCOSA-N 411.524 1.515 30 10 HDEE CN(C1CCN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1314703141 GSKZEEPLWXLDFU-UHFFFAOYSA-N 418.523 1.604 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1314948943 FCQSNYPDJZGISP-QAPCUYQASA-N 412.494 1.441 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)C1 1315073884 AYZFLPVFJZOVDX-GOSISDBHSA-N 422.489 1.732 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C[C@@H](C)O1 1315932190 CRJOGTAETQTVQM-DNVCBOLYSA-N 407.478 1.839 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1316333755 GWWMEAKUUMUTKS-OAHLLOKOSA-N 421.910 1.904 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2C1 1325750258 AXCVPGOURQBXAY-ZKHSGZSQSA-N 401.551 1.613 30 10 HDEE COC(=O)c1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n(C)n1 1350734704 MEFYBTKWDPHTCX-PGMHBOJBSA-N 419.463 1.272 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358961052 QUGXBGYKJVNTHO-IRXDYDNUSA-N 403.508 1.392 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1[C@H]2c3ccccc3C[C@H]21 1358969103 GYLDHNGPXROIIJ-QLIIJSOBSA-N 423.542 1.547 30 10 HDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)CC1 1359050049 DXUVHLLQRPDYLF-UHFFFAOYSA-N 423.340 1.728 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1359238184 BTQIZMISDXLQPL-UHFFFAOYSA-N 404.478 1.904 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1359300039 SBBVVVPTIGFFMV-GRXQJBFDSA-N 419.526 1.595 30 10 HDEE COCCCn1nc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)ccc1=O 1446020706 FCAROWAGKNWVQL-UHFFFAOYSA-N 411.462 1.365 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cs1 1452563369 JYKWYHBDXGFPMX-CQSZACIVSA-N 408.505 1.266 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1455837480 RECALKHXSNFAHM-CQSZACIVSA-N 407.471 1.698 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@@H](C)NC(=O)OC(C)(C)C 1457827364 XHPCJMVNDDZSQK-QWHCGFSZSA-N 410.496 1.254 30 10 HDEE COc1cc(OC)c(OC)cc1CNC(=O)Cn1cc2c(c(C#N)c1=O)CCCC2 1459102034 GSUBUOCJDKGTCL-UHFFFAOYSA-N 411.458 1.941 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)nn1 1461059889 VPOKYRWBVXGOJM-UHFFFAOYSA-N 408.439 1.771 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccnc3c2CC(=O)N3)c1 1464260670 OBLCBRRPLAKKLY-KQWNVCNZSA-N 413.459 1.641 30 10 HDEE Cc1cc(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)ccc1S(N)(=O)=O 1470021531 ADWGXOIDQNEIMU-SFHVURJKSA-N 414.487 1.797 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NC(=O)CSc2cccc(F)c2C#N)cc1 1473036940 CXOQNVYPMSFWHB-UHFFFAOYSA-N 421.475 1.931 30 10 HDEE Cc1nnc(CCCn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)s1 1492767492 TZEMLENVFZUMOP-MRXNPFEDSA-N 410.507 1.785 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1507543124 OCLHDDCOAGGYLX-NSHDSACASA-N 401.521 1.936 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)COC)CC1 1507723232 ADSDUZABENAWLP-UHFFFAOYSA-N 414.510 1.434 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ccc(NC(C)=O)cc2)CC1 1507731346 GNMABVVXDVAEDK-FQEVSTJZSA-N 422.533 1.738 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1507757916 DMUJQBGCOXRMGN-JXFKEZNVSA-N 421.567 1.388 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1507849315 VZVNCUCEVCOJCW-LAUBAEHRSA-N 421.542 1.626 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1 1507958697 BHUZZBMIXVEADM-UHFFFAOYSA-N 420.491 1.501 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1508084742 AZEMKOQELSTFKX-AWEZNQCLSA-N 401.467 1.214 30 10 HDEE CN1CCC(OCC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1516308462 LUTOUIITKVFWPU-UZYVYHOESA-N 408.524 1.549 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)CC#N 1516846118 GZZSDTNTCHGPNC-AWEZNQCLSA-N 406.512 1.631 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1519396357 FLWNSMBHVYXMBH-ROUUACIJSA-N 410.478 1.195 30 10 HDEE C#CCN(C(=O)c1cc(C)cc(I)c1)[C@@H]1CCS(=O)(=O)C1 1520935618 SJSJUDCBXWUILY-CQSZACIVSA-N 417.268 1.862 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccccc2-n2cnc(C#N)n2)n1 1524610518 YTUJHUMZFUBGBC-UHFFFAOYSA-N 402.823 1.843 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1cc(C)c(C#N)c(C)c1)C(=O)NCCN1CCOCC1 1525349398 URVDUNJTQLGGTE-QRWLVFNGSA-N 400.523 1.768 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)NCCN1CCOCC1 1526760306 ADSPQYNEYFVILT-XJKSGUPXSA-N 407.902 1.200 30 10 HDEE COCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@@H]1CCS(=O)(=O)C1 1531731761 GPWZVWRKYNJKOG-OAHLLOKOSA-N 415.309 1.525 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)CCO1 1538577392 FUMYUHAVFIYYQS-INIZCTEOSA-N 404.444 1.616 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1538970221 BAJSREJPIGMIMW-CABCVRRESA-N 423.514 1.954 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539044543 CYTLSIYLXYHORF-DLBZAZTESA-N 412.494 1.969 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539220848 MEOAIUVYVPAKIS-KURKYZTESA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(N2CCOCC2)n1 1539284985 XGCJJKHHBAOBJE-LJQANCHMSA-N 406.490 1.482 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1540034007 SWWPVIRKPBUQRO-KRWDZBQOSA-N 410.482 1.430 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1540044299 SFYUEHQQBURLJS-UHFFFAOYSA-N 412.542 1.575 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@H]2C[C@H](F)C2)C1 1540883760 DWXBSCFDVZTYRE-FPCVCCKLSA-N 415.535 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1540891515 VRCLFOYZMHRBPW-JKSUJKDBSA-N 401.515 1.958 30 10 HDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541087909 SJBHEOFSMKWCRR-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCC(=O)NC 1545834888 DZTIYHWWVGZNQL-UHFFFAOYSA-N 411.510 1.841 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1552681284 KJYBVHLFOBFMLK-SJORKVTESA-N 424.461 1.799 30 10 HDEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1555327565 MERRLDTXMKBYNT-IBGZPJMESA-N 401.471 1.729 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C(=O)OCC)[C@H]2CCCOC2)c1 1556151685 RLVMZHXLLKGBRR-FUHWJXTLSA-N 407.488 1.572 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](CC(C)C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)OC 1556375958 XNGYFMAPWRCYMI-NCOADZHNSA-N 406.479 1.213 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCN(CC(F)F)C2)s1 1558088841 FUUNYMRWBWLKCX-GFCCVEGCSA-N 407.508 1.458 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(c2n[nH]c(C)n2)C1 1558294941 LSVTYOXYXOLMDA-OAHLLOKOSA-N 416.507 1.336 30 10 HDEE CN(C)CC1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2)CC1 1565818252 PKLSUCWIKDBKHN-UHFFFAOYSA-N 424.505 1.627 30 10 HDEE C#CCCCCCC(=O)N1C[C@@H]2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C[C@]2(C)C1 1573752824 GDADQVLPVZQBFN-FFSTWTIQSA-N 402.535 1.929 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1584838419 HKJOADVSZVVODP-AWEZNQCLSA-N 414.487 1.524 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCn1cc(Br)cn1 1587550854 UFPWAHCGQAWOLM-CYBMUJFWSA-N 422.331 1.924 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1c(C)nn(C)c1C 1587598905 IJEMDWLRKWUAIM-CQSZACIVSA-N 416.493 1.777 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1587640171 PMHFUFURPYSRPB-GOEBONIOSA-N 416.503 1.458 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1588133632 JQMDDTKHAMLQIR-FQEVSTJZSA-N 405.502 1.995 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC(=O)NCCC)CC1 1588913596 NZHRQHAVDWPCAS-UHFFFAOYSA-N 423.521 1.222 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1593671589 MQNWJWIYSBTLPA-UHFFFAOYSA-N 416.501 1.783 30 10 HDEE CC(C)(O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1594547401 SRZWJUKKFVDLIO-HNNXBMFYSA-N 407.536 1.905 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC(C)(C)C1 1594913330 HNUJLUIKUQTREQ-UHFFFAOYSA-N 423.525 1.654 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1)C1CC1 1595033095 AZMHPYVEQZSQGQ-KRWDZBQOSA-N 418.519 1.919 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1595796636 ASINQSWWKJQLRK-QGZVFWFLSA-N 423.583 1.889 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595837738 CGZPWNHFBCIOJH-GOEBONIOSA-N 420.583 1.831 30 10 HDEE COC(=O)Nc1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1596032588 GAHVALKNOCQLIM-ZDUSSCGKSA-N 416.459 1.720 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCS(C)(=O)=O)n1 1612492849 ASRFRCXGVFMSJJ-KRWDZBQOSA-N 409.491 1.016 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1613319897 IALSUBFYGRRXGM-VGOFRKELSA-N 424.553 1.451 30 10 HDEE COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1616332739 HOMKPZQLRUVFQM-JKSUJKDBSA-N 422.279 1.282 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1 1619911649 BOYLLRLKDJOBTA-KRWDZBQOSA-N 417.558 1.860 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)nn1 1624951375 BZCYNIARMFLNEI-UHFFFAOYSA-N 401.448 1.546 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1625370538 METAQXAPGMPODL-UHFFFAOYSA-N 419.482 1.982 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1)C(=O)OC 1626208293 LERQNWIYCJFZJC-TYILLQQXSA-N 400.472 1.309 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2ccc(CC#N)cc2)C1 1627487405 JIUFUBVECFAZRV-KRWDZBQOSA-N 421.519 1.793 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1)C(=O)OC(C)(C)C 1632338075 ILNNXZKOCPXERV-AWEZNQCLSA-N 405.455 1.099 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1632797663 UZCSAFNWWFDIPR-HNAYVOBHSA-N 400.479 1.206 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1635342144 CACNSXPPGFKVAR-GFCCVEGCSA-N 417.325 1.947 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)NC(=O)OC(C)(C)C 1637279601 ZEFZLAAQOSQTQJ-NWDGAFQWSA-N 410.496 1.143 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1638082892 BESJDXRDVRRZQE-NYXBAERPSA-N 400.523 1.987 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1ccccc1CC#N 1638250023 YPQGVGKOBOXIND-UHFFFAOYSA-N 416.459 1.640 30 10 HDEE COC1(OC)CC2(CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C(C)C)C1 1639356944 ZJIKEVZNFWCQGZ-KRWDZBQOSA-N 421.519 1.361 30 10 HDEE CNS(=O)(=O)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639782442 IBIRMMXPSUOUTJ-OLQVQODUSA-N 404.279 1.165 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1ccnc(C#N)c1 1640009988 XMYRYDCUGWZCQJ-SDJAHQOYSA-N 406.364 1.555 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nc([C@H]3CCCO3)n[nH]2)CC1 1640182971 IEMRLAVUYFIFDZ-OAHLLOKOSA-N 403.483 1.923 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](c2ccccc2)[C@@](F)(CO)C1 1641671883 AICOEQUKDBMFFD-UZLBHIALSA-N 417.462 1.052 30 10 HDEE C#CCN1CCN(C(=O)c2cc(C)n(Cc3ccc(S(N)(=O)=O)cc3)c2C)CC1 1642208274 JUMOHFTXIJEBFB-UHFFFAOYSA-N 414.531 1.192 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1642761143 GFRCNVKIXLOLAC-LBPRGKRZSA-N 408.398 1.408 30 10 HDEE Cn1c(N[C@H]2CCOC3(CCN(Cc4ccccc4)CC3)C2)c(C#N)c(=O)n(C)c1=O 1643177678 QZBSOKLDEYVTQF-SFHVURJKSA-N 423.517 1.581 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NCc3cncc(C#N)c3)c([N+](=O)[O-])c2)CC1 1643206970 XKQLJYJBALYXMY-UHFFFAOYSA-N 416.463 1.410 30 10 HDEE CCc1nn(C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)c(=O)c(C#N)c1CC 1643700380 YKMNEJHIRJBSJH-ZDUSSCGKSA-N 416.478 1.792 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1643984192 JOCBIBSWNGHYMZ-ROUUACIJSA-N 417.579 1.694 30 10 HDEE CCCCN(C(=O)Cn1c(C(F)(F)F)ccc(C#N)c1=O)[C@H]1CCS(=O)(=O)C1 1644183497 HPBOREOUAVAFKA-ZDUSSCGKSA-N 419.425 1.555 30 10 HDEE C[C@@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1649563279 GWOSHMYXHWUMFO-DYESRHJHSA-N 415.542 1.365 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 1650846057 IEYSUKJXYBOTIR-CQSZACIVSA-N 417.453 1.496 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1650974746 OICWZNNGJFNPAA-LVQVYYBASA-N 416.540 1.100 30 10 HDEE C=C(C)C[C@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OCC 1651052539 QRDLCTMHHOEILN-ZDUSSCGKSA-N 403.435 1.578 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1652016932 GWILKXYXCXRPOC-JLTOFOAXSA-N 414.474 1.976 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(-c2ccccc2)c1C 1655292327 ICPQMEWGVFKNAG-ZRZAMGCNSA-N 419.485 1.889 30 10 HDEE N#Cc1cnn2c(O)cc(CN3C[C@H]4CCCS(=O)(=O)[C@]4(C(F)(F)F)C3)nc12 1656529983 NBKNITGQRWSFJT-IAQYHMDHSA-N 415.397 1.248 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2c(Cl)cccc2Cl)CC1 1658100239 MTEBLLIHTHIAQE-UHFFFAOYSA-N 419.334 1.407 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 1659613972 ZRTLTRCVKHYXPP-OAHLLOKOSA-N 402.476 1.721 30 10 HDEE C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660446754 FGPOXNUCJCBSAN-PTSWNOGYSA-N 401.488 1.822 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1665457583 WVLZOMGUIZMTHM-MRXNPFEDSA-N 413.565 1.093 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCC3(CC2)CNC(=O)O3)cc1Br 1666470825 BAZJZJDOGUMHMW-UHFFFAOYSA-N 418.244 1.723 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)CCOCC1 1668982930 NTLNJYUJWPBXLK-UHFFFAOYSA-N 421.519 1.624 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1672354196 ZVGUXYFYHMJTPW-MJGOQNOKSA-N 418.453 1.992 30 10 HDEE COC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1679471586 CVCAQYYSXMGGHQ-QGZVFWFLSA-N 424.461 1.585 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1681228091 WAZFKWPZKRXDDY-JQFCIGGWSA-N 413.478 1.872 30 10 HDEE COc1cc(CNC(=O)N2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)ccc1C#N 1682344041 AORGKSKOGAZPSU-TZMCWYRMSA-N 405.398 1.684 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1684753574 RAOIRUYIYATQDP-QGZVFWFLSA-N 406.527 1.106 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(C)(C)O 1689860856 IZOIHCJVCOJNME-IBGZPJMESA-N 410.566 1.872 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1689935632 NOZPYLYEJVUDNI-KRWDZBQOSA-N 402.520 1.936 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nccs2)C1 1689936886 HTWLZWSTITVDHV-OAHLLOKOSA-N 400.508 1.848 30 10 HDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690227533 BFFAYYNIKOSFSA-ZDUSSCGKSA-N 423.315 1.927 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1690508251 DPZWKIWGTBENOI-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1690520081 IXDFYWMEFYNQLC-AEFFLSMTSA-N 410.482 1.595 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690678536 ZKZQHRQIHSELRJ-LSDHHAIUSA-N 406.487 1.147 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)C1 1690684568 IKWNVJJGJVYQPS-ZWKOTPCHSA-N 402.543 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1C(C)C 1690713949 AFXZCWMBCRTYGQ-MRXNPFEDSA-N 409.556 1.740 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1691371156 NYGGSEVKBLAYNT-NVXWUHKLSA-N 410.478 1.214 30 10 HDEE Cc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693508504 AAOQANBRTJFNEC-RUNIHZNKSA-N 400.483 1.366 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)C 1698058201 CAOGVMMDRAGASL-UHFFFAOYSA-N 424.303 1.490 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1705517615 ZLZMKQFBCIVCBK-QGZVFWFLSA-N 406.552 1.991 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)OC 1705623678 ZVWINLZEDRSTAR-UHFFFAOYSA-N 420.535 1.860 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC[C@H](C)C1 1705630309 NWPIHQPCRKNKRA-OALUTQOASA-N 416.570 1.607 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1705632723 ADHIVLRKZBJQOV-UXHICEINSA-N 402.587 1.904 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1705658449 PYVQUFNRKAANGY-QGZVFWFLSA-N 410.507 1.413 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705687637 HEPFSDBTKUHVBH-LSDHHAIUSA-N 423.315 1.793 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1CCN(C(C)=O)CC1 1705838078 BDZRPMKUCPTKEA-UHFFFAOYSA-N 421.509 1.802 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1705884353 MLMDTJFWHBVIED-INIZCTEOSA-N 405.524 1.571 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CC(F)C1 1705907114 ABBJGDLKPMPQCD-UHFFFAOYSA-N 420.514 1.756 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCSC[C@H]1C 1705937449 UGBHCMQACOSXOV-OAHLLOKOSA-N 407.565 1.806 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1 1706657211 FPBSTMSLLPLTCB-WMLDXEAASA-N 414.507 1.289 30 10 HDEE COCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1712502717 WCCRUEAVZVETGJ-UHFFFAOYSA-N 424.505 1.321 30 10 HDEE C#CCCCn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722336973 SGZOLZHGNMRGJH-LJQANCHMSA-N 420.473 1.965 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722412031 UANHFIBNKBYZIT-ZWKOTPCHSA-N 402.543 1.184 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CC1)CNC(=O)C2 1722602012 ZLKNCYPWSITYKP-OAHLLOKOSA-N 424.571 1.351 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)nc1 1722681278 ISGRZZOWPYNSAY-QGZVFWFLSA-N 405.524 1.571 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1722697526 KZHGZUBJAWAJRE-INIZCTEOSA-N 418.523 1.046 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@H](COC)C1 1722703204 XCWLYBFLXVFHAF-SFHVURJKSA-N 415.494 1.319 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)CN(C)C1=O 1723387005 HIIBOMHSCLCOBD-NRFANRHFSA-N 415.542 1.759 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1724236596 WVHBDDBRPVMMCE-LJQANCHMSA-N 423.521 1.552 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)c1ccco1 1729033015 GGVVNSLZYWPYHV-OAQYLSRUSA-N 424.461 1.850 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1730955917 NUKYTWMSDJEWAH-QSMSVPEVSA-N 419.526 1.934 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740550615 QUTURJKDRCJWEN-MUWSIPGASA-N 410.503 1.963 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740616703 FROXLNSZCIJEAZ-GJZGRUSLSA-N 414.622 1.877 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740637740 CJZZNQYRSYIPRC-VZCXRCSSSA-N 415.457 1.248 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1740664995 LQEHRHGUOADWAC-GOSISDBHSA-N 408.911 1.608 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1 1740790272 QBGINMWAHZZSST-UHFFFAOYSA-N 420.491 1.501 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740796160 QSGLUPKNCBKXBP-LAUBAEHRSA-N 419.526 1.377 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)C1[C@H]2CCC[C@H]12 1740985691 KHOCCCPUNIQOQN-GJZGRUSLSA-N 407.540 1.350 30 10 HDEE Cc1ccccc1N1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1742442381 IWJAKEUCCQHWNB-MRCUWXFGSA-N 421.505 1.748 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748807743 CEZVVBAMKAPICI-CRAIPNDOSA-N 413.503 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cnn2ccccc12 1748968225 FEGQRVVEBJIAJB-UHFFFAOYSA-N 418.505 1.922 30 10 HDEE C#CCSCCn1c(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)nnc1C(C)(C)C 1749049211 ZFCKQEKXOCMSMV-FQEVSTJZSA-N 418.567 1.757 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(C)(=O)=O 1749058432 IKPLBBNKKBHAJA-GOSISDBHSA-N 418.479 1.395 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1749065002 QTOVKTPXZYZTBG-HRAATJIYSA-N 407.478 1.629 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1749275490 CXVSQIYHUMDNKX-KRWDZBQOSA-N 413.931 1.168 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)CC1 1749348478 PSFUQRXXDJRLLN-UHFFFAOYSA-N 414.432 1.481 30 10 HDEE CSCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1750309137 ZJRJGEDILUFSLV-CJNGLKHVSA-N 418.564 1.864 30 10 HDEE Cc1ccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)cc1 1751551810 DSSAQQDMKLAMEN-QGZVFWFLSA-N 412.494 1.763 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc2[nH]ccc12 1760206430 ZFVLXJYTKNZPBM-SFHVURJKSA-N 421.526 1.977 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CC(OCC)C1 1760236973 QNOATUWRDWPYKI-UHFFFAOYSA-N 408.506 1.906 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](C)CNC(=O)OC(C)(C)C)CC1 1760264951 ZRVDHDCDBDSYKQ-QGZVFWFLSA-N 420.558 1.731 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2ccnn2C)C1 1760432702 LXZYQSRDZHPEOU-HOTGVXAUSA-N 421.571 1.972 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760518882 KUSRKDNIYIISCQ-KKSFZXQISA-N 415.494 1.923 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1760527215 PBRHXAFMHGZKRN-UHFFFAOYSA-N 415.542 1.259 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1760695910 BTOZZPFRKOKATD-QZTJIDSGSA-N 422.537 1.833 30 10 HDEE CN(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1768470018 BNMRHCWDXRYOLT-OALUTQOASA-N 423.521 1.546 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1769585567 BJBIDMUOLAKBLG-CQSZACIVSA-N 408.466 1.684 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCOC[C@@H]1OC 1769843242 CJYKDKFPHFVWOD-WBVHZDCISA-N 403.487 1.097 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)C1 1770728562 QENQWPGXWYDPAW-YWPYICTPSA-N 419.429 1.046 30 10 HDEE COCCOCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1771267698 UNICJINNBIVUMP-KRWDZBQOSA-N 416.438 1.635 30 10 HDEE Cc1nn2c(C)c(C(=O)N[C@@H]3CN(Cc4ccc(F)cc4)CCO3)cnc2c1C#N 1851565850 XAPMHPAPJLDYGM-IBGZPJMESA-N 408.437 1.945 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1=O 1853829775 ZGIMSHCJDYINCT-SJORKVTESA-N 413.474 1.194 30 10 HDEE COc1ccc(OCC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)cc1 1853844451 AVXRLIGISALTSB-UHFFFAOYSA-N 407.426 1.499 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3noc4ccc(F)cc34)[C@@H](C)C2=O)CC1=O 1853892628 FLKRRKYEKZGETA-UONOGXRCSA-N 414.437 1.561 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@H]1C 1854330116 CQYDPUDBILXSME-HUUCEWRRSA-N 401.463 1.302 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642465 QKNAAYZRSJXBNW-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C1=O 1855402042 LMFRUGPPGBWFSR-PBHICJAKSA-N 404.492 1.340 30 10 HDEE CC[C@H](C)CC(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098257 CYUQVPSVMMCZLW-FXAWDEMLSA-N 410.518 1.922 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 1856235320 GAZHTXAZORJWQZ-HZPDHXFCSA-N 402.520 1.323 30 10 HDEE N#CCCN1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C(=O)C12CCCC2 1856631066 FVILFZZEOQSYJC-UHFFFAOYSA-N 403.504 1.748 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cn(-c4ccncc4)nn3)C2)CC1 1856955984 XLULQVDQTWLWQJ-KRWDZBQOSA-N 407.478 1.667 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)[C@@H]4CCCOC4)C3=O)CC2)n1 1856974390 GNMBQXREHPVJKT-MJGOQNOKSA-N 412.490 1.598 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1857362612 YESUEOXEXWNQAC-XMSQKQJNSA-N 414.481 1.368 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc3nc(O)oc3c2)cc1 1870099358 ASQGBUUSZMRMDT-UHFFFAOYSA-N 412.387 1.795 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O 1870142982 QAUOSRGDISSSPZ-NSHDSACASA-N 404.361 1.901 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc(OCC)cc1 1871260521 MKHSOCIZROEWJV-UHFFFAOYSA-N 415.490 1.923 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1872596352 NSMRJKJYLXAWRA-QGZVFWFLSA-N 407.423 1.926 30 10 HDEE CCOC(=O)c1sc([C@H](C#N)C(=O)CN(CCO)CCO)nc1-c1ccccc1 1872799238 FODGYBCMZLFQKM-OAHLLOKOSA-N 417.487 1.450 30 10 HDEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N3CC(O)C3)ncnc21 1873595068 NSSBZLPRCYFJBG-UHFFFAOYSA-N 400.527 1.650 30 10 HDEE C=C(Br)CN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 1991842284 CNXBWWKPGVLFIR-LLVKDONJSA-N 411.318 1.291 30 10 HDEE C=CCn1ncc(NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2043997125 GZSLUKGTANUVFY-UHFFFAOYSA-N 415.288 1.586 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2085611815 YCTIKGHAQHOQFF-MRXNPFEDSA-N 404.488 1.507 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O)C1CSC1 2197739493 MEGOMNHFYJGZAJ-AWEZNQCLSA-N 416.565 1.376 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384776 WEXLQJTVNJOQND-NWDGAFQWSA-N 406.292 1.494 30 10 HDEE CN(C[C@@]1(O)CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1)C(=O)OC(C)(C)C 2249679763 HANKBGTUDFZLMM-NRFANRHFSA-N 422.331 1.842 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCO[C@@H](CN)C3)c2Cl)OC1(C)C 2281937180 WONIKUZRTLIEDX-WDEREUQCSA-N 400.737 1.937 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]4C[C@@]4(O)C3)cc2Cl)OC1(C)C 2282312002 PRWHZONHPFPBEG-MGPLVRAMSA-N 419.761 1.846 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(C)CCCNC3)c2)OC1(C)C 2282342998 NPNBPNNFPSOUTB-KRWDZBQOSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@H](C3OCCO3)C2)OC1(C)C 2282346912 RANUJCJTONHUQN-HNNXBMFYSA-N 423.340 1.759 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC(F)(F)CO)OC1(C)C 2282511771 OMSTUIRKRKKIGO-UHFFFAOYSA-N 411.301 1.484 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C[C@H](C)O)C1CC1 2282826739 SZZRZIWAUGJWMI-NSHDSACASA-N 401.359 1.890 30 10 HDEE Cc1cc(S(=O)(=O)NC2CCC(O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282840914 QLCSTNNAPMFOTK-UHFFFAOYSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@H](CN)C3)ccc2Cl)OC1(C)C 2282871669 KLCNTPGRCUWXQE-HAQNSBGRSA-N 400.737 1.655 30 10 HDEE Cc1nc(C(=O)N=[S@@](C)(=O)CCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284391807 OQDRMGGEFVMYQF-SANMLTNESA-N 402.303 1.463 30 10 HDEE COC(=O)c1ccc([C@H]2C(=C(O)c3ccc(OC)cc3)C(=O)C(=O)N2CCO)cc1 2296560827 OMMLTKZFOMCMBB-SFHVURJKSA-N 411.410 1.896 30 10 HDEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)c1 2296571278 SATNHUMUZPPRDZ-HXUWFJFHSA-N 423.469 1.844 30 10 HDEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(O)cc1O 2329322866 UNGADVBUBBCSEK-UHFFFAOYSA-N 413.459 1.866 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(OC)c1 2330795207 SGMKIOCNGDIMFN-UHFFFAOYSA-N 421.479 1.556 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173518 UWVWJUWAIJRLEK-KUHUBIRLSA-N 401.525 1.923 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2365206867 JUNFQRGANHXPBT-PJIJBLCYSA-N 402.557 1.455 30 10 HDEE N[C@@H](C#Cc1cnn(C2CC2)c1)[C@H](O)c1ncc(I)s1 2366131018 OEUSRVRKILNUSD-JQWIXIFHSA-N 400.245 1.692 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(OCC)CN(C(=O)OC(C)(C)C)C1 2367785884 SZSKCEZVAADILJ-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1F)S(=O)(=O)CC1(C#N)CCOCC1 2369657392 SLDUFHINTYJBGS-ZIAGYGMSSA-N 405.492 1.526 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccn4)CC3)cc2C1=O 30448793 ITCQSRGQGNRZQB-UHFFFAOYSA-N 404.426 1.462 30 10 HDEE COc1ccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)c(OC)c1 70897011 ABOGNQOXYVKBMM-UHFFFAOYSA-N 423.473 1.942 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)COC[C@H](O)CO 136345280 YYYHDIQLLFHAGW-HSALFYBXSA-N 422.559 1.559 30 10 HDEE CCOC(=O)CS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 404836400 XURCPUSRBHAVSN-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2cccs2)ccc1Cl 446927539 HGZFECUHVSHCFU-UHFFFAOYSA-N 405.910 1.530 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CSCN3C(=O)C3CCCC3)CC2)c1C#N 472251268 SSFIBEDYQRGYII-KRWDZBQOSA-N 416.551 1.341 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 476353620 BHEDESBVWLRJDX-UHFFFAOYSA-N 420.878 1.762 30 10 HDEE CCOc1ccnc(N2CCCN(C(=O)c3cc(C#N)c(SC)nc3O)CC2)n1 489168592 MXCWPNJAPHBSMD-UHFFFAOYSA-N 414.491 1.922 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)c1 489520676 WJJJDESAWDNXBV-SFHVURJKSA-N 416.459 1.363 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1cccc(C(F)(F)F)c1 494181651 DGVGDPDROMJKMF-CHWSQXEVSA-N 413.396 1.812 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1c2ccccc2C[C@H]1C(N)=O 507698249 OKOOXECENSQEHC-IBGZPJMESA-N 409.490 1.868 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1 510944729 GGWMZSBJVSMHOH-AQFXKWCLSA-N 400.483 1.746 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)CC2)c1 512669534 VAEQUQIBWNEOSI-QGZVFWFLSA-N 409.483 1.334 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)nc1 512894372 GKZJOMYHRALWKR-LJQANCHMSA-N 404.474 1.980 30 10 HDEE CC(=O)N1CCCN(c2ccc(F)cc2NS(=O)(=O)c2ccc(C#N)nc2)CC1 517677944 VRGZOSNPKZSQMR-UHFFFAOYSA-N 417.466 1.952 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)NCc2ccco2)sc(=Cc2ccccc2)c1=O 523744386 GHAQVJSNQXBEAJ-UHFFFAOYSA-N 423.494 1.359 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)NC3CCCC3)cc21 526847392 XYYPLHUGHOCUQY-ONSXPEOJSA-N 418.515 1.977 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)Nc3ccccc3)n(C)c2=O)c1 540696530 ROTAOCHASWZROL-UHFFFAOYSA-N 406.467 1.301 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 557977412 KFPSKVXOKOGRLM-AEFFLSMTSA-N 408.524 1.349 30 10 HDEE C=C(C)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 559024876 YHDZYDGDMQUHDX-OAHLLOKOSA-N 400.870 1.322 30 10 HDEE COc1cc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)C)ccc1C#N 572212426 DQUNRDBYZXGAPG-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1C(F)(F)F 572926673 GUXSFWYWEVOLTQ-CQSZACIVSA-N 403.426 1.702 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)cc2C1=O 622367062 OUHLJENPZNRTPO-UHFFFAOYSA-N 421.457 1.976 30 10 HDEE CC1(C)Cc2cc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCCO4)c3=O)ccc2O1 729671057 CAJMVRKMKDDSID-QGZVFWFLSA-N 407.495 1.829 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)nnn1-c1cccc(Cl)c1 731861534 DZZMINGGSHXIJE-VLGSPTGOSA-N 400.826 1.485 30 10 HDEE N#C[C@@H](C(=O)c1cccc(OCc2cscn2)c1)C(=O)N1CCS(=O)(=O)CC1 732908470 MACPFJLQLGJEHA-INIZCTEOSA-N 419.484 1.302 30 10 HDEE COC(=O)[C@@H](NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C#N)cc1 740002980 ZUSGCHGXXKOCKN-HNNXBMFYSA-N 419.425 1.924 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740211556 RUQGEIDVPWPBSP-GOSISDBHSA-N 412.423 1.541 30 10 HDEE CC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C 742828584 OAIFNFUPCUIIDJ-HNNXBMFYSA-N 403.508 1.733 30 10 HDEE O=S(=O)(NC1CC1)c1ccc(NN=C2CCOc3cc4c(cc32)OCO4)nc1 745592334 WEHSDVZUJCBUNM-UHFFFAOYSA-N 402.432 1.850 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc([S@](=O)C(F)(F)F)cc1 750625348 YOZXWGSYNYOEMS-JCOSREKMSA-N 416.381 1.962 30 10 HDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 756910498 CPLODUMBKPNYHB-UHFFFAOYSA-N 419.547 1.202 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(CC#N)cc1)c1ccc(S(N)(=O)=O)cc1 758688520 GDTQLKIEPLXHSY-UONOGXRCSA-N 415.471 1.823 30 10 HDEE COC(=O)c1cc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(C)o1 767681324 QOFWICWRGXLJSV-LLVKDONJSA-N 406.416 1.657 30 10 HDEE COc1cc(CN2CCN(C3CC3)[C@H](C#N)C2)ccc1OCC(=O)N1CCOCC1 769414532 CQADOPQLWOMHFT-LJQANCHMSA-N 414.506 1.105 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780702454 XQFSOGMHDYFKAQ-QFIPXVFZSA-N 413.474 1.060 30 10 HDEE COc1cc(C)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)c(C)n1 781583864 KHQSYCSKZXINDE-UHFFFAOYSA-N 418.523 1.484 30 10 HDEE CCOc1ccc(-c2cn(C3CN(c4ccc(S(N)(=O)=O)cc4C#N)C3)nn2)cc1 782377176 YIGJEBKFFIOETP-UHFFFAOYSA-N 424.486 1.924 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@@H]2CCCOC2)CCCN1C(=O)OC(C)(C)C 791870458 JYXQVKRIVURYMK-RDTXWAMCSA-N 402.513 1.957 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NCCNc3ccc(C#N)cn3)CC(=O)N2C(C)(C)C)cn1 794924605 KKSGTFFQBYZLBV-QFBILLFUSA-N 409.494 1.603 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CC[C@@H]2C)cn1 795183699 PJOVUKHHPNOZMR-NUEKZKHPSA-N 419.551 1.888 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](CN(C)S(C)(=O)=O)C1 804185271 LHYKBOJCGGKFCZ-OAHLLOKOSA-N 404.492 1.994 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 807470425 RQCXBXUOEXMRSG-FQEVSTJZSA-N 421.563 1.703 30 10 HDEE CCOc1cc(C(=O)N[C@@H]2CCN(O)C2=O)ccc1OCC(=O)N1CCCCC1 820178765 ALQIJJUEHJIUGD-OAHLLOKOSA-N 405.451 1.197 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N1CCC(c2ccccc2)=N1 916178688 KOGXQKZAYVHRPU-UHFFFAOYSA-N 424.482 1.921 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C)c3)n2N)cn1 1084066186 GKQDRBZWCOKBEE-UHFFFAOYSA-N 411.495 1.860 30 10 HDEE CN(C)CCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)COc1ccc(C#N)cc1 1125089451 DGQDWUBHKAMXLL-NRFANRHFSA-N 406.486 1.568 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CN3CCCC4(CC4)S3(=O)=O)C2=O)cc1 1127911648 JOGMPDILPTXFIO-KRWDZBQOSA-N 416.503 1.128 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1130119814 YPLFPMOWGBHMLU-LLJZQGTPSA-N 409.845 1.953 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1134718863 WPNOKLPCHQXTSG-CVEARBPZSA-N 402.472 1.638 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2CCCc3c2cnn3Cc2ccccc2)c(=O)nc1O 1135903728 HIXHSOHOBIKOFR-KRWDZBQOSA-N 404.430 1.259 30 10 HDEE N#Cc1ccc(NCCNC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)nc1 1136174978 MDAOEMJSZCSYHE-UHFFFAOYSA-N 401.430 1.323 30 10 HDEE COc1ccc(CN(C(=O)c2cccc(C#CCO)c2)[C@H]2CCS(=O)(=O)C2)cc1 1136668448 QLKMJBWNVGBBLO-FQEVSTJZSA-N 413.495 1.869 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(C(=O)N2CCOCC2)CC1 1141349227 LACREBYMRQHKAC-UHFFFAOYSA-N 420.307 1.961 30 10 HDEE O=C1[C@H](NC(=O)C2(c3ccc(I)cc3)CC2)CCCN1O 1141462951 ACJVDBVKOHZQSJ-GFCCVEGCSA-N 400.216 1.819 30 10 HDEE Cc1ccc(CN2CCO[C@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)cc1 1152009194 WFAYDLSHJCNVMY-KHOFPDMRSA-N 412.490 1.229 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CCO)C(C)(C)C3)C2)C1 1154418985 GIKXDPOAILNQSC-JQHMZKTJSA-N 420.554 1.688 30 10 HDEE O=C(C1=NN2CCCN=C2N1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157808218 YYNSOPNYESXKEZ-BQBZGAKWSA-N 419.276 1.594 30 10 HDEE CSCC[C@H](C(=O)NCC#C[C@@H]1CCCCO1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1158986776 RHDFDFMHWDQQPY-XLAORIBOSA-N 406.548 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C[C@@H](O)CC3(C#N)CC3)C2)C(=O)C1 1169475525 ZDRZQSMDPHCBIH-IRXDYDNUSA-N 406.527 1.585 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(c3nc(C(=O)OCC)n[nH]3)CC2)c1 1169862533 GSSXUMLYGZCIEN-UHFFFAOYSA-N 424.461 1.490 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(OCCO)CCCCC1 1179864012 NWSDUWKGTOKPPV-OAHLLOKOSA-N 409.508 1.053 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)CC1 1198386677 GWAWUNSVLBOMDD-BZSNNMDCSA-N 405.543 1.372 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cc1 1209518254 GVFAXZHODHUPRA-IEBWSBKVSA-N 403.548 1.669 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)C1CSC1 1216559718 RWQVWHDFOXPGAL-UHFFFAOYSA-N 415.475 1.150 30 10 HDEE C#CCN(C(=O)NCCN1CCO[C@@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1226044926 HLPWKEOCZDQIPU-KRWDZBQOSA-N 408.543 1.751 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3ncc4c(n3)CCOC4)C2=O)cc1 1226112424 PWZVYILOYYKTSS-SFHVURJKSA-N 406.446 1.416 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1230108635 BVBCUAJTEJMFJT-UHFFFAOYSA-N 412.487 1.279 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1286358495 HYVUJLYZUNIUGL-MRXNPFEDSA-N 403.870 1.346 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@H]1C 1286374667 OSZSNCWMBKGCKM-HRAATJIYSA-N 411.510 1.061 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@]1(N2CCOCC2)CCSC1 1286434620 QQXYHAFGEDDSET-OAQYLSRUSA-N 417.579 1.485 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCOCC1 1286461854 YQWZSAUVZCYBEQ-UHFFFAOYSA-N 421.567 1.512 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286608893 VGBDZZIOANJSLO-UHFFFAOYSA-N 424.527 1.073 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286612700 XAGRWDOKNLUPSV-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCN(C)C1 1286756164 QXLVEVRTWWSVCT-OAQYLSRUSA-N 421.509 1.166 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286787253 DIYFLGBNUUCOBW-WMZOPIPTSA-N 413.526 1.277 30 10 HDEE CC[C@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1291488995 WNNFPTHHECBHTP-NIGUIEARSA-N 415.498 1.020 30 10 HDEE CC(C)[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)N(C)Cc1nnc2n1CCC2 1297321872 JMBPMORPNXHTMM-LJQANCHMSA-N 419.489 1.990 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1297397177 UCUXOENPQNFYFM-HEWTWTGNSA-N 416.526 1.965 30 10 HDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(O)C1=O 1298542975 HWRYCEUOVQNPKT-QVKFZJNVSA-N 419.478 1.858 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(OC)cc1 1300271284 HFBHMJUMOMONPP-HUUCEWRRSA-N 421.523 1.434 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1300336938 QLGDBOQLXPECOS-UHFFFAOYSA-N 400.527 1.670 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1300496137 OOORRCQZLBZPLY-INIZCTEOSA-N 412.556 1.156 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@@H]1CC 1300509481 MOFJMUOFBWAAHF-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(=O)N(C)C)c1 1300553806 TWECNAIJHVLHMB-UHFFFAOYSA-N 420.517 1.629 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2nsnc2c1 1300663917 LAUKABRYYRIECL-OAHLLOKOSA-N 411.491 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCNC(C)=O)CC1 1300723470 UKZLLVXTOZDAKO-UHFFFAOYSA-N 400.527 1.428 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1300926168 XPUUDQTUVKNRGI-CABCVRRESA-N 414.514 1.497 30 10 HDEE COCC1(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1301130744 CUCFOFALDHLYIE-IBGZPJMESA-N 401.446 1.620 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCSCCCO)CC1 1303001115 NALUHGZLZWMUHC-HNNXBMFYSA-N 413.569 1.036 30 10 HDEE N#C[C@@]12CN(C(=O)c3nn(-c4cccc(Cl)c4)cc3O)C[C@H]1CS(=O)(=O)C2 1304002321 PDFUKBSXJGFMGM-GTNSWQLSSA-N 406.851 1.242 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N3CCc4c(sc(N)c4C#N)C3)ccc21 1304489729 HAEXZRYVAJMOOJ-UHFFFAOYSA-N 423.498 1.426 30 10 HDEE C#CCOCCN(C)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1306016581 TYKIIEVBPXFVGS-KRWDZBQOSA-N 409.464 1.246 30 10 HDEE Cn1c(=O)[nH]c(N2CCC23CCN(C(=O)OCc2ccccc2)CC3)c(C#N)c1=O 1307216457 LBIVKIZDPOBQFF-UHFFFAOYSA-N 409.446 1.327 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)n(Cc2ccco2)c1C 1308162944 JCUHXMMAIUNUGX-IRXDYDNUSA-N 400.479 1.479 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)C[C@H]3CCCCC3(F)F)CC2)c1C#N 1309407028 DPEWRHHOVPBRGG-CQSZACIVSA-N 401.483 1.878 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1313378695 AITHQSARRRNYLJ-UGUYLWEFSA-N 411.524 1.359 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1314109932 BSTOJNLYRDTUKX-TYCQWZJGSA-N 419.526 1.600 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C[C@H]1OC 1316331386 RUXBYWBXNLNHNY-LVCYWYKZSA-N 413.478 1.472 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)c1cnc2scc(-c3ccccc3)n2c1=O 1341907951 CAKFMRUUTRGFCZ-UHFFFAOYSA-N 402.457 1.786 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1 1357282329 GWPYLSNDFXCGLW-UHFFFAOYSA-N 422.367 1.800 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1358897552 AXKNFICHLCVZPH-HNNXBMFYSA-N 420.473 1.866 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1358919264 XZCADHVUKDSLNN-UHFFFAOYSA-N 411.510 1.546 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC[C@@H]1CO 1358937397 UAKUETWXHAJAIP-HXUWFJFHSA-N 424.549 1.491 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Br)n1CCC(=O)NC 1359022074 MBELZZOISVQFIL-UHFFFAOYSA-N 420.311 1.930 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1359301003 ONUNXCRJYQFTTC-QGZVFWFLSA-N 424.505 1.246 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(N(C)C)CCSC2)C1 1359318923 OYLIJQDPNCLBKT-UZLBHIALSA-N 415.567 1.954 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1360466480 FEVFIKPCDWPZCI-CQSZACIVSA-N 414.601 1.693 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1360607484 XUOFJUWUBUXGSR-HKUYNNGSSA-N 402.543 1.880 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1438909590 UWAIQSJUHHBKOX-VFNWGFHPSA-N 417.462 1.476 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1438909595 UWAIQSJUHHBKOX-YCRPNKLZSA-N 417.462 1.476 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(F)ccc4nc[nH]c34)CC2)cc1 1441008280 GWLPVJUBOYKNAY-UHFFFAOYSA-N 413.434 1.720 30 10 HDEE N#C[C@]12CN(Cc3ccc([N+](=O)[O-])cc3Br)C[C@H]1CS(=O)(=O)C2 1460882288 NHFDNHJOTDWJMI-SMDDNHRTSA-N 400.254 1.727 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1464474703 GJNZDXOBHSBEPQ-UHFFFAOYSA-N 405.503 1.377 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1464843478 HVTJZFJKEOVIBI-MRXNPFEDSA-N 420.514 2.000 30 10 HDEE C#C[C@@H](NC(=O)NC(C)(C)CNS(C)(=O)=O)c1ccc(Br)cc1 1470662138 BYWHQWACNHBTBA-CYBMUJFWSA-N 402.314 1.750 30 10 HDEE C#CC[C@@H]1CCN([C@H](C)C(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1473788530 NVHZBHLDARLYRK-HZPDHXFCSA-N 419.526 1.044 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1478552215 BDPPQFKTFUVJBY-PQUGWKKUSA-N 414.524 1.166 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1478900639 DMZLXLNRWJUOSH-NRFANRHFSA-N 400.479 1.496 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1494512969 KBWCGJKNIZHVBW-ZACIOGPDSA-N 418.523 1.598 30 10 HDEE CCN1CCN(CCCn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1502356025 GWGGDZLJLQDFSJ-HXUWFJFHSA-N 415.521 1.148 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[C@H]1CCOC1 1503109706 UXCXVIMQIMXTPB-KRWDZBQOSA-N 411.510 1.834 30 10 HDEE C#CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507592371 SVULBVVPHQROHF-UHFFFAOYSA-N 400.527 1.522 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1507642893 CATOJMKLVOEMSL-CYBMUJFWSA-N 401.268 1.387 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCC(=O)N1CCCCCC1 1507710572 QQTXEGYBGVFEBT-UHFFFAOYSA-N 411.510 1.614 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1cccc(C)c1 1507710720 JZIFWUQGMJMALG-LJQANCHMSA-N 411.506 1.606 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1507714526 QIOOVUFECIQUDF-YVHKJVDXSA-N 417.554 1.761 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2cccc(C)n2)CC1 1507715951 KKEJIEIXQULIFY-UHFFFAOYSA-N 423.565 1.898 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](N2CCCC2)C1 1507752719 DPSGGRWWNOGFJI-SFHVURJKSA-N 416.595 1.832 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1507880771 NHZPSCMZBSHXOQ-UGKGYDQZSA-N 419.570 1.933 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1507967708 JMXYUKZHJJZJKO-JTQLQIEISA-N 401.480 1.806 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1cc(C)c(C#N)c(C)c1)C(=O)NCCN1CCOCC1 1525349399 URVDUNJTQLGGTE-YWZLYKJASA-N 400.523 1.768 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)CC2(C#N)CCOCC2)cc1 1525683519 GHMAKWRRMCXCRD-HNNXBMFYSA-N 417.462 1.643 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2cnc(-c3ccccc3)cc2=O)c1 1528783902 LMQPNULZWONLCL-UHFFFAOYSA-N 400.438 1.671 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCCc1ccccc1 1539145494 LXHSYZDRMSQUAW-UHFFFAOYSA-N 417.473 1.354 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CC1(N2CCOCC2)CC(OCC)C1 1539168899 LMKYDCJMMYSYHF-UHFFFAOYSA-N 412.538 1.623 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H](O)C1 1539323642 IBNFMYXOIOBKFR-KSZLIROESA-N 404.536 1.194 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N[C@](C)(C#N)CN(C)C)cc1 1539432133 JFJLJMFDQKMRTP-LJQANCHMSA-N 408.524 1.250 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)nc2)CC1 1539459568 KHKXWMKQVCZBGL-UHFFFAOYSA-N 424.940 1.992 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539621873 UMFDZKLZFASCNW-PKOBYXMFSA-N 411.510 1.388 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1539729880 MDCKXGTYMGFSIQ-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1540865855 UWJIIDGNUXALQQ-NRFANRHFSA-N 407.478 1.081 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2COCCO2)C1 1540883724 DHOYJWRPUKWWGS-DBXWQHBBSA-N 422.526 1.515 30 10 HDEE C=C(Br)CNC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1544516763 DMVSBIRFTWZVTP-UHFFFAOYSA-N 419.297 1.541 30 10 HDEE COC(=O)[C@H](COC(C)C)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1545755686 QLAPOLLNEBWYDK-HNNXBMFYSA-N 400.428 1.162 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H]1C 1547636666 AMHQIUUQKQMCKT-CVEARBPZSA-N 416.551 1.780 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1Cc1nncn1C 1555557551 ZZIXFZGYLZZDKR-UHFFFAOYSA-N 401.862 1.537 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCC1 1557066294 NTRDFDCOQVOFAP-INIZCTEOSA-N 406.464 1.948 30 10 HDEE C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN(Cc2ccccc2)C1 1557323996 HBZVPNOWRTZKIM-NRFANRHFSA-N 412.515 1.617 30 10 HDEE C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)n1 1557378841 QLPNRYRYPLYAAE-DOMZBBRYSA-N 412.450 1.198 30 10 HDEE C[C@H]1C[C@H](NC(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1558518109 STMNTRPCTPUWMF-WDEREUQCSA-N 401.282 1.781 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)cc1 1558702683 WCNWIGGKXIQYBY-HNNXBMFYSA-N 418.475 1.632 30 10 HDEE N#Cc1cc2cccnc2nc1N1CCC(C(=O)NCCCN2CCOCC2)CC1 1559113088 XTTRSALIZYIYSM-UHFFFAOYSA-N 408.506 1.556 30 10 HDEE CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564594087 ULDKOGAPCDXFDP-ZBEGNZNMSA-N 417.853 1.816 30 10 HDEE C#CCCN(CCOC)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1565417413 HAVWCZUZILWPQH-MRXNPFEDSA-N 417.510 1.955 30 10 HDEE N#Cc1cc(NC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1Br 1584021885 NPLPGCGYAXPYRA-QHSBEEBCSA-N 404.220 1.422 30 10 HDEE C[C@H]1COCCN1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1585414189 WSPYRYHXTQETOY-ZDUSSCGKSA-N 407.312 1.594 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)C1 1587192959 WNHKAHMSWRUGIJ-HXUWFJFHSA-N 400.479 1.837 30 10 HDEE N#Cc1ccc(CC(=O)NCC(=O)Nc2ccc(I)cc2)cn1 1587272456 BNWADTZOPSIUDL-UHFFFAOYSA-N 420.210 1.855 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)OCC)CC1 1587804253 WEMDDNWDUJJXCP-UHFFFAOYSA-N 404.515 1.888 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1587813964 ZSRDSQAOKBUDLT-ZBFHGGJFSA-N 404.471 1.685 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCO[C@@H](C)C1 1587823466 RGXXNRWYLOTRQO-INIZCTEOSA-N 417.535 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1cccs1 1587945501 LJJXVAMZWPXTEU-HXUWFJFHSA-N 420.502 1.959 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(N(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1588034846 MJYMEXZLIHEKBI-IBGZPJMESA-N 401.536 1.522 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1588090390 WGJPIRJDAWIYSO-XXBNENTESA-N 422.533 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1588120467 MMLSFHFSXWVCAV-UHFFFAOYSA-N 422.514 1.344 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1588265875 JKMMLCFFNSTXHD-YOEHRIQHSA-N 423.514 1.875 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1588856779 BIKSWZVJFNSZJW-YKSBVNFPSA-N 423.561 1.749 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(C)(C)C(=O)NC)CC1 1588923994 SZHIRIIQSHJIDH-UHFFFAOYSA-N 400.527 1.284 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1589059971 LWBJCSQANSXLHW-INIZCTEOSA-N 414.539 1.104 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1593625379 TUKBHZXXXAWLBY-HUUCEWRRSA-N 412.498 1.203 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CC2)C1 1595674759 TWLJABVHXISIIJ-KGLIPLIRSA-N 415.585 1.565 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCC(=O)N(C)C)CCOC1 1596791382 QZIFEYLOEMEXFE-OXJNMPFZSA-N 406.531 1.783 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCc2nc3c(s2)COCC3)c1 1598061798 CRMYSTYFJAIFOA-UHFFFAOYSA-N 409.464 1.625 30 10 HDEE CCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1614492643 XWUWVKFFMQHCTN-DXQAYGFFSA-N 402.499 1.935 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@](F)(C#N)C1 1615901927 MVOLMBNQLJTAAK-LIRRHRJNSA-N 410.494 1.606 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1616746019 UXUXDQWSCJMKKV-ZDUSSCGKSA-N 412.533 1.391 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)C[C@H]1O 1618884683 KLKZDRWAXDALGR-IAGOWNOFSA-N 411.462 1.092 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1618933774 AJHUCSWDJBDNPR-HIFRSBDPSA-N 405.480 1.112 30 10 HDEE C#CCN(C)CCCNC(=O)CCS(=O)(=O)c1cccc(Br)c1 1625360471 XRQTZTHTLMYKEP-UHFFFAOYSA-N 401.326 1.684 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1626373760 MDUNLHBEXDJZEY-IRXDYDNUSA-N 407.511 1.343 30 10 HDEE C#CCN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1626435345 WWDIVQUBPWKKIC-DLBZAZTESA-N 421.519 1.166 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c(NC(=O)OC(C)(C)C)cnn2C)n1 1626715396 ZIZGOOHQPZPMFY-UHFFFAOYSA-N 416.482 1.886 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)CCCC(=O)Nc1ccccc1C#N 1629657137 ABBAPQWTCOTENW-QFIPXVFZSA-N 414.506 1.399 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1)C(=O)OCC 1632067756 XCDRDYYZHFOUJY-WFASDCNBSA-N 418.899 1.150 30 10 HDEE N#Cc1csc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)n1 1633446525 SLGIFFNRVGQQMH-UHFFFAOYSA-N 405.914 1.507 30 10 HDEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1633997770 YBDADBXINQBCJV-GOSISDBHSA-N 413.474 1.277 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1636838471 AXXWFNHONIYLPH-ZIAGYGMSSA-N 411.271 1.941 30 10 HDEE C[C@@H](CN1CCOCC1)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639919853 IRVXOFXKOJANRK-AWEZNQCLSA-N 421.339 1.936 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1640587802 ATLFSTNIXZMDEO-GUYCJALGSA-N 400.353 1.103 30 10 HDEE Cc1ccc(NS(=O)(=O)c2ccsc2C(=O)N[C@@H]2CCCN(O)C2=O)cc1 1641522255 YLYYPOQFLBQQRN-CYBMUJFWSA-N 409.489 1.967 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCCN(CC2CC2)C1 1642367177 GOHKTMLKGFTOLI-CRAIPNDOSA-N 404.536 1.463 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1643652464 WBGIBHPGJCMTGA-KRWDZBQOSA-N 415.446 1.509 30 10 HDEE C=CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1643960943 RIOOCMVWQNDJBW-HNNXBMFYSA-N 413.490 1.696 30 10 HDEE C[C@@H]1CN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C)CO1 1645218780 CSSZFYIUCBMZDW-ZIZALFOXSA-N 420.554 1.999 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCN(Cc3nc[nH]n3)CC2)ccc1Cl 1646573022 GNRFHWKEUCUUCB-UHFFFAOYSA-N 401.902 1.831 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2CCC(n3cc(C(N)=O)nn3)CC2)c1C 1647780538 HDQBKBRUKWAYQO-UHFFFAOYSA-N 409.494 1.578 30 10 HDEE CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028434 BATLHWPUVUFTDL-IUODEOHRSA-N 419.482 1.533 30 10 HDEE C#CCN(C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCN(C)CC1 1652512268 OMLUFMIOJPNIFV-MDZDMXLPSA-N 424.545 1.456 30 10 HDEE COC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1653436341 KXZVFVKYWSJJBK-CQSZACIVSA-N 407.492 1.211 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@@H](O)c2cccc(C#N)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1655783763 LIIVHAXZABCBMI-FGTMMUONSA-N 421.519 1.310 30 10 HDEE N#C[C@]12CN(Cc3csc(CNC(=O)c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1656342915 DSAGBMRHZJUAAZ-HNAYVOBHSA-N 416.528 1.443 30 10 HDEE Cn1nccc1[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)C(=O)OC(C)(C)C 1659265785 WNWBQBNKTBTSBK-GOSISDBHSA-N 408.458 1.692 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 1660692676 BTBKFGGRFUCZHI-GFCCVEGCSA-N 413.452 1.508 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c1 1665554749 WDPAYPLGSPGOEX-HNNXBMFYSA-N 400.456 1.915 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1 1674025248 BFDVEMFDJRPZMT-MRXNPFEDSA-N 407.312 1.539 30 10 HDEE C=CCN(C(=O)Nc1c(C#N)cn(CC)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 1678536991 FERAWUSAYUHOGX-CQSZACIVSA-N 408.480 1.763 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCC(n3cc(C(N)=O)nn3)CC2)c1 1678975490 HYMJBWIYWULJMR-INIZCTEOSA-N 411.466 1.605 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN1C[C@@H]2CCCCN2C1=O 1682953545 RXVHKCDJGWQJEO-FQEVSTJZSA-N 412.538 1.922 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3nc(-c4ccncc4)n[nH]3)C2)nc1 1683245584 NTICJDXNDCDWRU-INIZCTEOSA-N 403.450 1.919 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)nn1 1683315596 WQXSTOITJUTODC-UHFFFAOYSA-N 403.531 1.082 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1689825800 CXKDMIAUNNPXPR-TZMCWYRMSA-N 408.528 1.643 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1689848254 RKCZBLJIMULGQM-HNNXBMFYSA-N 400.483 1.186 30 10 HDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689900345 FGBNOYOJNMYLGD-LJQANCHMSA-N 411.506 1.654 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1690003788 YGSMKBYNHWXPFF-JOCHJYFZSA-N 413.522 1.262 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](OCC(C)C)C1 1690655374 RBPMARDNHSDAFY-INIZCTEOSA-N 404.515 1.068 30 10 HDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(C#N)o3)C[C@@H]2C)CC1 1690828730 MRENIXMMGPXVGF-MGPUTAFESA-N 411.510 1.478 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCOCC2)C1 1705523124 LAANMLMYJDEIOF-UHFFFAOYSA-N 403.527 1.996 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1705532711 DUHBFZOIBRBMKD-ROUUACIJSA-N 411.510 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1705578926 ADQJYBDJTVGUIR-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705658447 PXRKCBOCQZURLV-WMZOPIPTSA-N 413.551 1.258 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705678762 OIABDHJRRPMSOC-FRQCXROJSA-N 407.540 1.403 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1705725469 CLHFOVCDFRVFJH-OAHLLOKOSA-N 407.540 1.205 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705736639 YMCABHSMHOPJHA-CVEARBPZSA-N 404.515 1.317 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCSC2)CC1 1705781436 ZMAOILAVVWMTDG-DYVFJYSZSA-N 415.585 1.159 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1 1705884141 HMIWVPNEOFFHBF-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2cccn2)CC1 1705905548 ZBNUVLUXDLOLDJ-UHFFFAOYSA-N 420.521 1.679 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1706240274 ZKKGXAMMLPTIQA-UHFFFAOYSA-N 413.482 1.518 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1712473315 TYCSWNXQQVSNEF-KHYOSLBOSA-N 406.462 1.066 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1722368577 SCBXVJVYKFWONC-SJORKVTESA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCc1cnn(C)c1 1722401160 NTYOJQCNTVRIJG-UHFFFAOYSA-N 404.522 1.969 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1722439545 GRQSVJDTIFMNOX-UHFFFAOYSA-N 405.568 1.343 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1722474213 MRTKZELAYYOPAI-FUHIMQAGSA-N 421.567 1.936 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722509184 WPYCVPZJRUHYEY-ZACQAIPSSA-N 409.556 1.655 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722526111 NZOQKTNONJAQAP-RXVVDRJESA-N 416.526 1.997 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722538896 ZTYCEKIZFHJSJK-UTKZUKDTSA-N 421.542 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722724002 KLZRYNNKVRDLSE-XHSDSOJGSA-N 409.556 1.355 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 1729527137 ZOTGDIASOSXVSI-INIZCTEOSA-N 403.508 1.724 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1740531901 AGPJLNLMDWIWOP-LSDHHAIUSA-N 405.524 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740549989 OMVGPGASSKRVBV-PWIZWCRZSA-N 422.533 1.302 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1CCS(=O)(=O)CC1 1740613985 AMBRQPYXXUQVSR-UHFFFAOYSA-N 406.483 1.890 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N1CCOCC1 1740768067 FBPOMUWJSIEQSY-HXUWFJFHSA-N 407.515 1.191 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740799553 OWIYUQTXFBUWGZ-UTKZUKDTSA-N 421.542 1.578 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1740944056 NDXQAOKUGZABKQ-UHFFFAOYSA-N 409.288 1.692 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCC(=O)N1CCOCC1 1747706636 HHDKNSLWHAFJNO-LJQANCHMSA-N 424.505 1.887 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1748671714 NAOTXKMNNWNUIL-OLZOCXBDSA-N 422.580 1.835 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1748682072 PYDBXXSLLMALKP-JGWKNBOWSA-N 410.503 1.915 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 1748805741 VNHXTWMIVFZAGP-INIZCTEOSA-N 404.492 1.279 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(OC)CCOC2)CC1 1748984936 XDMVBUGBUVCOSJ-JOCHJYFZSA-N 411.506 1.514 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749671027 XZQWEMHPMNFRLB-ROUUACIJSA-N 402.543 1.396 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1Nc1cnn([C@H]2CC2(F)F)c1 1749677563 DAGVRJBIHVDXAR-ZDUSSCGKSA-N 420.424 1.223 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCSCCCO 1750071255 YGRIZJXWFJNBFO-CYBMUJFWSA-N 406.512 1.717 30 10 HDEE CC(C)(C)OCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750515539 PEZFUUNQBRZJGB-JKSUJKDBSA-N 401.515 1.221 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCCn2cc(CO)nn2)C1 1751273137 CEKFJURWULZJSG-HXUWFJFHSA-N 407.482 1.644 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1760206350 XHOKNBLPZNUZPL-ZIAGYGMSSA-N 418.441 1.220 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCOC[C@H]1OC 1760209090 UVQPMDZQVWPVGE-IEBWSBKVSA-N 415.538 1.711 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1760242588 ITJFJDAWGJRPCA-UHFFFAOYSA-N 419.551 1.786 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1760249768 SKANWKXIWPLZIW-SFHVURJKSA-N 423.583 1.142 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760273305 OHVWFIVGDPUQGV-OXQOHEQNSA-N 419.551 1.265 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@@H]2OC)CC1 1760273472 VYLPHJBLKGTXTB-ROUUACIJSA-N 403.527 1.596 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1 1760335164 LTUZWZJUGJQNKC-MJGOQNOKSA-N 411.510 1.775 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760358438 WAAMWZGJHVANTQ-BRWVUGGUSA-N 408.499 1.125 30 10 HDEE C=C(Cl)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1760388350 RPRAFXNECYZUST-KRWDZBQOSA-N 420.963 1.942 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1760419291 NLOGRUZGZQNHSC-OXJNMPFZSA-N 423.583 1.841 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@H]1C 1760456784 XGCGIUJBWIIWSH-HZPDHXFCSA-N 418.567 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@H]1CC 1760517987 DRCLMDXHZJITPD-CRAIPNDOSA-N 421.509 1.848 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760865330 PIGVAMTWHFLEKJ-NRFANRHFSA-N 422.493 1.621 30 10 HDEE CN(CCn1cccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1767376785 RIFWQLDAXMXOAQ-CQSZACIVSA-N 415.479 1.026 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1769845010 GBEJBKQAWINLGO-CQSZACIVSA-N 422.486 1.129 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1770875855 ISVSEGDFLQLYMI-UHFFFAOYSA-N 407.434 1.326 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(F)(F)C1 1771564241 BSMCLPUVQNQQOE-BVFVFODLSA-N 422.436 1.544 30 10 HDEE COc1ccc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N(C)C 1772789740 XKMBXNDBKJJTQJ-UHFFFAOYSA-N 404.400 1.314 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1N(CCCN1CCOCC1)C(=O)C[C@H]1CCOC1 1849413945 SBIAINXWAOVKOJ-MRXNPFEDSA-N 402.451 1.948 30 10 HDEE CCOC(=O)N1CCCC[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851772155 HENFTUQONLKPGM-GOSISDBHSA-N 415.494 1.629 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)CC2)n1 1852551268 SOYZSLYVAPDWDF-AWEZNQCLSA-N 410.865 1.703 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1852895757 IVAPMAIECIXLMI-CQSZACIVSA-N 416.956 1.826 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1853333633 QTOIEFMAZGSZRO-UYAOXDASSA-N 413.474 1.216 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)cc1 1853884832 VPIBTWNLSIVDGB-MOPGFXCFSA-N 415.515 1.446 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)COc2ccc(F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854262056 GCWIGNCWBDFGFQ-RBUKOAKNSA-N 417.481 1.831 30 10 HDEE C=CCN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)[C@@H]1C 1854272088 BAXOWUIFWSEZHJ-IRXDYDNUSA-N 422.551 1.037 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCC[C@H](N2CCN(c3ccc(OC)nn3)CC2)C1=O 1854310593 CBKMCINOTMUPOH-IRXDYDNUSA-N 401.511 1.727 30 10 HDEE CC(C)(CC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O)C(F)(F)F 1854425056 TZHNKCUTBUQKKW-UHFFFAOYSA-N 409.430 1.802 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1OC 1854957964 RCQAZCQVQNRKQA-FUHWJXTLSA-N 414.506 1.755 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN([C@@H]3CCCN(C(=O)CC#N)C3=O)C2)cn1 1854996302 OGJXKNVDFGUPCD-RBUKOAKNSA-N 400.527 1.476 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 1855016356 WYPIOIGDDXSSMY-ZWKOTPCHSA-N 421.538 1.895 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4nccnc4c3)C(=O)C2)C1 1855045030 BEGCYHSNFUHJCY-AEFFLSMTSA-N 406.490 1.681 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c1C 1855176246 IKVYZOKTUXCQBS-QZTJIDSGSA-N 411.506 1.846 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1856939222 POZXFGILVHJRJU-ROUUACIJSA-N 414.510 1.319 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857097046 AVZUTULWZHBDKZ-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857098614 MJVPADNXENAMNU-LLVKDONJSA-N 420.397 1.293 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3nccnc3N3CCCCC3)C(=O)C2)cc1 1857371887 VTYBOZXLOYNAOU-UHFFFAOYSA-N 404.474 1.823 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858421766 DEZYHHKINFOIOC-MRXNPFEDSA-N 413.455 1.994 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)CCCNS(C)(=O)=O 1861880761 PSZWYEXPSKSIRO-SFHVURJKSA-N 407.536 1.244 30 10 HDEE Cc1c(Cl)cccc1-n1nc(C(=O)N=c2[nH][nH]c(CC#N)c2C#N)c(=O)cc1C 1866288546 GEMVGPKNODRGEY-UHFFFAOYSA-N 407.821 1.838 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1 1867935568 OTIKVZHDQPVVDP-HXUWFJFHSA-N 403.548 1.810 30 10 HDEE C#CCOc1cn(CCCOC)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871005686 SUIAGLHHVQUVHA-UHFFFAOYSA-N 405.476 1.156 30 10 HDEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874353648 UNGADVBUBBCSEK-ZVBGSRNCSA-N 413.459 1.866 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3csc4c3CCOC4)CC2)CC1 1889228597 UILMCIVJGVMHOX-UHFFFAOYSA-N 417.575 1.693 30 10 HDEE C#CCCN(CC(=O)O)C(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1900033856 JYZTWDCZPOPNRK-UHFFFAOYSA-N 417.506 1.950 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1982283937 USHYFEDUSAGSSV-NEPJUHHUSA-N 413.334 1.887 30 10 HDEE CCOP(=O)(OCC)c1c(S(C)(=O)=O)nn(CCC#N)c1Br 2080455585 KGBLRFNRDAPADK-UHFFFAOYSA-N 414.218 1.854 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)C1 2118165526 BSTKQSJPRFWPGS-RCCFBDPRSA-N 422.507 1.140 30 10 HDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CC[C@@H](C#N)C1 2174781486 GJFWGMXFTWMRSQ-GJZGRUSLSA-N 402.517 1.034 30 10 HDEE C[C@H]1C[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@H](C#N)C1 2174783743 GFQKTXUCKPBUKA-QKPAOTATSA-N 400.545 1.948 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@H](C(=O)O)C(F)(F)C1)C(F)(F)F 2180570194 OXWONKCJOCSEJI-MLUIRONXSA-N 400.222 1.554 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CC1 2197526772 XZOHQILOMGXSNF-ZDUSSCGKSA-N 417.553 1.172 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(N)cc1C#N 2205584815 JVJKROZKESYPAZ-UONOGXRCSA-N 412.537 1.770 30 10 HDEE CN(Cc1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2243381756 MNPZZCSQUUKWHH-UHFFFAOYSA-N 405.264 1.745 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)N(C)C(=O)OC(C)(C)C 2247929112 JGBTVUUVNVFDJO-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE Cc1cc(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282010968 BLPCQJHXCDUDBU-NEPJUHHUSA-N 401.359 1.907 30 10 HDEE CC1(C)OB(c2sccc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2282031539 UBWQXCXHJDOYTG-UHFFFAOYSA-N 409.285 1.805 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCNC[C@H]1C 2282313373 KKWJTTDSKYQKLU-GFCCVEGCSA-N 400.375 1.728 30 10 HDEE C[S@](=O)CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331234 LCGQKECIQFYMRP-VWLOTQADSA-N 419.399 1.436 30 10 HDEE CN([C@H]1CCC[C@H]1CN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344535 VZETXTCLQXVIFQ-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC(C)S(=O)(=O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282349028 SVSFQLZRNVXDGR-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282500784 NRBFQHOUZWQPKN-CYBMUJFWSA-N 400.737 1.622 30 10 HDEE C[C@H]1NCCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506734 WRJRGLPVUNRDDD-VXGBXAGGSA-N 401.363 1.002 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)C(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282542524 FMNYEHPFJULOSJ-AFNXNYLOSA-N 403.741 1.212 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(CO)CC2)c1B1OC(C)(C)C(C)(C)O1 2282866630 MPEPBSQNPGSMFM-UHFFFAOYSA-N 401.359 1.715 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2284397879 REARXWUYDCYZGP-UHFFFAOYSA-N 407.294 1.143 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284405785 PKWUHXWWUMRSRG-JQWIXIFHSA-N 401.315 1.282 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC(F)F)C(=O)O)OC1(C)C 2284410842 WVUURUXJCSKVPE-SECBINFHSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(C)CCC[C@@H]3O)c2)OC1(C)C 2286911595 ZGOGWCDSIKNJRV-GUYCJALGSA-N 401.359 1.877 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288914840 LROQDTDBKRYCRL-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE COc1ccc(-c2nnc(=NN=Cc3cc(O)c(OC)cc3[N+](=O)[O-])[nH]c2O)cc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c1ccc(O)c(OC)c1 4223237 BBCOINOLRRIEDE-JZJXAQOMSA-N 418.442 1.899 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 16557970 FYGRWDOMMGVYHU-UHFFFAOYSA-N 401.396 1.367 30 10 HDEE CCc1nnc(/N=C(\O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1 23472436 VHPRMMRNZUXBHL-UHFFFAOYSA-N 413.500 1.834 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 25125606 AZEXYWWDMSMOCA-GHTZIAJQSA-N 404.470 1.526 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 27559087 FZYNTEBOWONHGY-UHFFFAOYSA-N 415.563 1.747 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC)c(OCC)cc2[N+](=O)[O-])CC1 53310561 YADSGAYILXRHAQ-UHFFFAOYSA-N 406.439 1.062 30 10 HDEE COc1cccc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72445463 ZOSJJWZVAMVIKR-HIFRSBDPSA-N 409.446 1.944 30 10 HDEE CC(C)Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[nH]n1 107940009 YYSRGDYFXOGUSX-UHFFFAOYSA-N 401.492 1.627 30 10 HDEE COc1ccc(C2=C(N(C)CCO)C(=O)N(c3ccc(C#N)cc3)C2=O)cc1OC 170056302 SUOFLCBYMHTDQG-UHFFFAOYSA-N 407.426 1.784 30 10 HDEE COC(=O)CCCS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 404937335 CQVTUPWJMQATSB-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE COC(=O)c1cccc2c1N(S(=O)(=O)c1cnc(C)c(C#N)c1)[C@H](C)C(=O)N2 427779165 CYXQNVZEGPVGII-LLVKDONJSA-N 400.416 1.584 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)nn2)cc1 434823063 QBYCKXZIOHTHKR-UHFFFAOYSA-N 421.461 1.959 30 10 HDEE C[C@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCO[C@H](C)C2)O1 435267073 LLWITEZETHEGAD-NARAOEGZSA-N 421.519 1.410 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc4cc[nH]c4n3)C2=O)cc1 461101227 SCRAUNUQHIRQAK-QGZVFWFLSA-N 402.414 1.956 30 10 HDEE C=CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@H](Cc1ccccc1)C(=O)OCC 474220893 PQMQZWIPHKQLOU-MRXNPFEDSA-N 401.463 1.506 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCC(=O)N2CCN(c3ccccc3)CC2)c(F)c1 481050152 AGJLYLKZJNZYQV-UHFFFAOYSA-N 416.478 1.466 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)Cc3ccccc3)c2)CC1 503607970 FOXPINPSLGRAQG-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 503618629 MCZJDJMRZIROMT-BBRMVZONSA-N 408.418 1.709 30 10 HDEE CN1CCN(c2ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cn2)CC1 505747095 FULRGKJEUNAFQZ-NRFANRHFSA-N 401.511 1.711 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cn1 537464381 OMBIVEJLAQNIEP-UHFFFAOYSA-N 413.503 1.558 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 540006371 BXPIDCVCVCNBAY-HOTGVXAUSA-N 408.524 1.344 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)n1 546926500 LVPIDEDWYOYBBK-HNNXBMFYSA-N 413.869 2.465 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c(C(=O)OC)s1 567798323 JAPBNUFKAIRHJA-UHFFFAOYSA-N 424.456 1.680 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 574801294 MSPVBSVYOKFQKD-AWEZNQCLSA-N 410.459 1.295 30 10 HDEE CCOC(=O)C1CCN(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 582084250 KBBZJFWFXVHURK-UHFFFAOYSA-N 404.452 1.071 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCCN2CCN(c3ncccn3)CC2)ccc1Cl 604027877 GABZKSLQXPLTRU-UHFFFAOYSA-N 420.926 1.492 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)N1C(=O)c2ccccc2C1=O 609621874 CSZYYWITFBSCAS-SJLPKXTDSA-N 402.454 1.908 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 611564527 UNCAVUBHZGVBAQ-IBGZPJMESA-N 420.473 1.398 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669816750 BPJYVIOHSGHOGH-OAHLLOKOSA-N 424.461 1.375 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O 730145034 VGDYQSQKNWMCRG-JQBIEYAESA-N 417.579 1.935 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CCC2)cn1 730463130 SLRKSHWJPUVZFW-OAHLLOKOSA-N 405.524 1.642 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccc(NC(=O)c2cccnc2)c1 731861483 CPUUIJPPQOBBGK-UZYVYHOESA-N 405.414 1.590 30 10 HDEE N#C[C@H]1CN(C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCN1C1CC1 732675042 VSCCATIVQDBPGQ-QHCPKHFHSA-N 424.593 1.966 30 10 HDEE C#CCCNC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 733247597 UYDMLQMDQMOMMG-UHFFFAOYSA-N 401.282 1.223 30 10 HDEE C=CCNC(=O)CN1CCN(C(=S)NCc2ccc(OC(F)(F)F)cc2)CC1 742982956 RDOCWGKSRGEQEZ-UHFFFAOYSA-N 416.469 1.880 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cc(S(N)(=O)=O)cc(C)c1C 748414915 YSMUQDZJTPRJEI-UHFFFAOYSA-N 401.444 1.926 30 10 HDEE CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 769849487 LOMRQXLMZBOAMQ-HNNXBMFYSA-N 417.281 1.929 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(C(=O)N[C@@H](C)C(C)C)CC1)c1cc[nH]n1 772155323 HXOMFFIAMYABMJ-AWEZNQCLSA-N 421.498 1.093 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CCc3ccccc3)c2=O)c1 776752315 ILIYVLADINYBMO-UHFFFAOYSA-N 402.479 1.891 30 10 HDEE Cc1c(O)cc(O)c(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)c1O 782238755 KXRDQPLHRPILAV-UHFFFAOYSA-N 407.448 1.579 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2cc(C)nc2C1 782822683 NQZUSBGQDNMKPU-MRXNPFEDSA-N 415.519 1.831 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)C1 782995622 LWQOKHHSIRNUMF-XHSDSOJGSA-N 411.466 1.952 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc3c(c2)OCO3)N(CCCn2ccnn2)C1=O 784125279 HGJXIJHNFMOWNF-HNNXBMFYSA-N 416.463 1.165 30 10 HDEE C#CCN(C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1)[C@@H]1CCS(=O)(=O)C1 788300818 DVTWVBBEODGGSR-GFCCVEGCSA-N 404.897 1.398 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)sc1Br 798840055 OVZSZIHHOKPXGZ-SSDOTTSWSA-N 404.271 1.348 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)CCCCCC1 800009425 MXCIWQUZJPQUGJ-HNNXBMFYSA-N 416.544 1.663 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 805783398 XHIFELUMMXGLCB-GOSISDBHSA-N 420.531 1.773 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 814398231 UCHRTEJEFUIWHM-UHFFFAOYSA-N 407.492 1.877 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)N3CCN(c4cc(C#N)ccn4)CC3)c(=O)[nH]c21 900872871 AYGOYUZVAGJFQX-ARJAWSKDSA-N 417.473 1.934 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)NC(C)=O)cc1 916178805 PBXPNGKLAPNRTH-IBGZPJMESA-N 415.471 1.780 30 10 HDEE CCOC(=O)/C(C(=O)c1c(C#N)c(N)nc2ccccc12)=C(/N)[C-](C#N)C(=O)OCC 1088689571 QXVNTSJABDQDEL-WUKNDPDISA-N 420.405 1.308 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CC1CCN(S(C)(=O)=O)CC1 1125941332 GYHMPCZWWZWDRH-UHFFFAOYSA-N 406.552 1.510 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)nn1C 1130178329 GRACCGLBZLLISJ-BETUJISGSA-N 417.491 1.650 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OC 1132197101 NAZIOIDCVGHDBH-XOBRGWDASA-N 403.435 1.086 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c3cccnc3)CC1)C2 1132852705 DGQYUQCODRGWGL-IBGZPJMESA-N 410.499 1.638 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1136161530 OTKVXXVKKFNSMO-SJORKVTESA-N 423.558 1.632 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CCN(CC#N)CC3)CCC2)CC1 1136861483 BLQDTMHGIJDEJT-UHFFFAOYSA-N 406.527 1.586 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)cc(CNC(=O)OC(C)(C)C)n1C 1137371395 NBQNVCSXMNKDRE-UHFFFAOYSA-N 403.483 1.556 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1ccc(I)cc1-n1cnnn1 1140626087 ASCPMCLXEQQRPG-NSHDSACASA-N 413.219 1.324 30 10 HDEE COCCN(CC#N)C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1141801246 QPWHFRUKHYLYFP-UHFFFAOYSA-N 408.252 1.824 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1143652678 OMUUVEIKOBAQJZ-OAHLLOKOSA-N 422.503 1.210 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1144582566 KNZPNIFBWQSREZ-JKSUJKDBSA-N 410.430 1.507 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CC1 1147909706 GXUFXSKNQFIBAI-VFNWGFHPSA-N 418.494 1.131 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1152043220 VMGBRJCDGQNWLH-HVEKOLDVSA-N 411.524 1.490 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCC(F)(F)C(F)F 1156948680 RTFASQMJHTZNCL-XAVMHZPKSA-N 404.282 1.989 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCN1C1CCCCC1 1166988079 NULBQLCRFWOVOA-MAUKXSAKSA-N 404.536 1.748 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2cc(Br)ccc2C#N)CC1 1185746399 ROZNUSSFTWJEGJ-UHFFFAOYSA-N 402.314 1.809 30 10 HDEE C[C@]1(c2ccc(-n3cnnn3)cc2)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1188706709 DFHHAYITEPVRRW-OAQYLSRUSA-N 415.413 1.113 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1213984073 JTRRMBNMTWYQNQ-GFCCVEGCSA-N 410.439 1.704 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3(C(F)(F)F)CC3)CC2)cc1 1220248609 FWELILOLDARQGE-UHFFFAOYSA-N 402.398 1.669 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1 1230296338 ZRDOYXDGQDQMJL-ZNMIVQPWSA-N 414.528 1.402 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(C#N)s2)CC1 1252035150 LOMNSHWKGUYMCQ-UHFFFAOYSA-N 423.520 1.831 30 10 HDEE Cc1c(Br)cccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1252365135 ZXCVGGONZMBHIM-XJKSGUPXSA-N 412.309 1.837 30 10 HDEE COCC#CCN1CC[C@H](OCC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1264669403 SGBCONCBAGRRKI-NALHQMNBSA-N 402.535 1.389 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@@H]1OC 1286462799 WGJGNNIXTGQBGH-WBVHZDCISA-N 415.494 1.907 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCc2cn[nH]c2)CC1 1286483835 AEYXQALUWDTGKO-UHFFFAOYSA-N 421.505 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559477 WUSGLTHRLZFPLH-YJBOKZPZSA-N 411.572 1.730 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)O[C@H](C)C1 1286700961 UAVYOXAGCBBJAJ-OWCLPIDISA-N 413.544 1.191 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 1286776630 NIOPQXFSHPTEBE-OAHLLOKOSA-N 414.514 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCC3)C2)nnc1[C@@]1(OCC)CCOC1 1286824884 JUVJHRZONIIAIE-HXUWFJFHSA-N 424.567 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1C(C)(C)C 1286825753 WSTBYGLOJRWNAY-UHFFFAOYSA-N 423.583 1.625 30 10 HDEE COc1cccc(C[C@H](C(=O)N2CCC3(CC2)CC(=O)C=CO3)n2nnnc2C)c1 1289361403 HGCKNBBVVSBFGY-LJQANCHMSA-N 411.462 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1291876232 AYOOSUVJPORHRH-RMKNXTFCSA-N 419.453 1.604 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2csc(N(C)C)n2)s1 1294255263 QSMJAUDRQYAMIT-UHFFFAOYSA-N 400.551 1.594 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NC1CCN([C@H]2CCOC2=O)CC1 1295430261 ODRVTHIGLJGAIX-INIZCTEOSA-N 406.280 1.759 30 10 HDEE CCN(CC)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1295515936 HUCGUJDZVCUFHV-YJBOKZPZSA-N 411.510 1.910 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[S@](=O)C(C)(C)CC2)s1 1297943664 VHFPDOCCVPEUSB-DEOSSOPVSA-N 404.579 1.515 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1300459635 FFJPVUOYDSKGTI-IRXDYDNUSA-N 411.489 1.094 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccc(F)cc1 1300545710 VZKVRIQILFZWEI-QFIPXVFZSA-N 409.465 1.520 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCOC1 1300657590 OBOVZSNLYWRGDG-KRWDZBQOSA-N 424.299 1.273 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1 1300673670 UNYDHVUCQGZXOR-ZWKOTPCHSA-N 402.470 1.634 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCC2)CC1 1300727313 WGSZDNAVGDDGIQ-QGZVFWFLSA-N 401.511 1.053 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1301916984 PSHDOVDPDYIAIX-HNNXBMFYSA-N 409.494 1.400 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1303432691 SIENBJISGBVPDW-OXJNMPFZSA-N 406.531 1.972 30 10 HDEE Cn1ccc([C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1303762041 RXGCCXRIXJTICH-INIZCTEOSA-N 401.492 1.632 30 10 HDEE CCCCN(CC)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1306691720 HYFDMYVQJODYFU-HTXNQAPBSA-N 412.498 1.831 30 10 HDEE C#CCOCCNS(=O)(=O)c1cc(C(=O)OCC)cc(C)c1Br 1309342045 NBTUHAWUCQIBNG-UHFFFAOYSA-N 404.282 1.862 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)C1 1310367523 KGDPWPJLIZFGAX-MAUKXSAKSA-N 400.479 1.587 30 10 HDEE C=C(Br)CNC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1311756048 CKINGEDONSXVLP-UHFFFAOYSA-N 421.273 1.423 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)C(C)C)CCOC1 1314099833 DCMMPXJEFUYHDO-FQEVSTJZSA-N 404.515 1.442 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCNS(C)(=O)=O)cc1OC 1315381849 CDWLJHAOEBKWBC-CYBMUJFWSA-N 422.511 1.107 30 10 HDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1315820171 XPLVBINVRMHEJY-KGLIPLIRSA-N 423.518 1.819 30 10 HDEE CO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1316324499 AIUPSGIPABGWNX-IXEZMPPVSA-N 416.482 1.271 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1N1CCOCC1 1358869703 SYWXNAWTNGAGRM-KRWDZBQOSA-N 423.521 1.252 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1358929431 ZVGAEZNCUVLFDY-ZWKOTPCHSA-N 424.567 1.616 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1358944986 PNNNDIZYCPYNGX-HXUWFJFHSA-N 400.552 1.561 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1C[C@H](C)O[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358962910 ZAPBCODSSVMSRX-MPGHIAIKSA-N 406.552 1.986 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1359005923 ANYJKYUYFKPZBF-UHFFFAOYSA-N 423.521 1.998 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(SC)c1 1359018458 QQZQZMHAVLCPDM-UHFFFAOYSA-N 414.535 1.765 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@@H](C)O)cc2)CC1 1359028433 RUNODZWSPAIEFY-QGZVFWFLSA-N 410.522 1.273 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCOCC1 1359069340 JGFUFGDEFWYMEH-IIBYNOLFSA-N 400.527 1.332 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359207603 PVFGORZAEOTCMT-MSOLQXFVSA-N 404.559 1.930 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359215466 BZSWTTMQUFRLIN-MRXNPFEDSA-N 417.514 1.600 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1359282526 FJUALYFUIDZLRH-SFHVURJKSA-N 419.551 1.728 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2OC)C1 1359321217 BZHBSFSCSJLKNK-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2ccccc21 1359332195 RIYOMVFFWAPISH-HNNXBMFYSA-N 401.492 1.524 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1359336431 PVDCOCLKRCSXJC-UHFFFAOYSA-N 406.556 1.492 30 10 HDEE C=CCN(C(=O)c1cccn(CC(=O)OC(C)(C)C)c1=O)[C@@H]1CCS(=O)(=O)C1 1360055541 UIBKUJTUNVOYLH-CQSZACIVSA-N 410.492 1.005 30 10 HDEE COc1cc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)ccc1C#N 1360134725 PUJKNUPDDUKEKG-UHFFFAOYSA-N 405.398 1.858 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1435362644 PUZWDYZBOZKRDL-GJZGRUSLSA-N 418.498 1.537 30 10 HDEE Cc1ccc(C(=O)NCCc2nnc(S)n2C)cc1B1OC(C)(C)C(C)(C)O1 1443673542 YYDWAVFPFPOESP-UHFFFAOYSA-N 402.329 1.684 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)c1 1450439988 RRXLJMRUAAQLAJ-FPOVZHCZSA-N 416.474 1.538 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)nc1 1454552951 JCSFRLABHASXTC-UHFFFAOYSA-N 419.226 1.420 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1464376537 AURZZPAFQJKVJG-SJORKVTESA-N 400.541 1.985 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)CC1 1464849155 UKJPXZAPTPWQJC-SFHVURJKSA-N 422.570 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](NC(N)=O)C1 1466582518 HEODSAKYNBNDMN-RDJZCZTQSA-N 413.478 1.662 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@]1(C#N)CCCOC1)Oc1ccc(Br)cc1 1467918850 FYYPGTJPSYYZIT-YOEHRIQHSA-N 411.252 1.806 30 10 HDEE CN(CCN(C)C(=O)Cc1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 1468608286 QTMJNPKECZVXMP-UHFFFAOYSA-N 404.470 1.787 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OC 1471895706 SZMNGGDCPLYVGL-QGZVFWFLSA-N 401.463 1.340 30 10 HDEE Cc1oc(NC(=O)[C@@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c(C#N)c1C 1473537825 YIMSSKNSTORPOP-CYBMUJFWSA-N 404.467 1.581 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1473864584 BCSIIHCXCIMPEN-IBGZPJMESA-N 403.548 1.659 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)CC1 1475510550 WHHDKFYMHLZVMC-UHFFFAOYSA-N 400.884 1.199 30 10 HDEE C#C[C@@H](NC(=O)NCc1cn(CC)c(=O)nc1O)c1ccc(Br)cc1 1478896154 KKELYPYPEXKQOD-CQSZACIVSA-N 405.252 1.905 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1502372101 BHNLLIOIUBIICC-QFIPXVFZSA-N 423.521 1.681 30 10 HDEE COc1cc(C)cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1504059944 AUSURWDQXZMZRE-CABCVRRESA-N 420.539 1.992 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1504824424 WUVRQRZRZQVGQL-UHFFFAOYSA-N 409.494 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1507522286 UWYVRYCUUNYNRD-HOCLYGCPSA-N 404.492 1.222 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507561337 VLWLLOBFHPKHAC-UHFFFAOYSA-N 403.512 1.057 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1507572586 OUYZMUUUCZVLEF-AWEZNQCLSA-N 400.449 1.903 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507621449 ANOXZSGQPZMFFR-NVXWUHKLSA-N 407.584 1.685 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1507638857 TVDHDWHPYPNQMV-UONOGXRCSA-N 402.467 1.802 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCS1 1507710919 WYDIVMWDDPPOLG-AWEZNQCLSA-N 403.508 1.987 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1c(C)noc1C 1508093802 WZHBQRKSOLZDPT-UHFFFAOYSA-N 412.498 1.683 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(N(C)C)CCOCC2)C1 1508121758 GJAXJHDIQYLJIO-IAGOWNOFSA-N 418.542 1.121 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCOCC2)C1 1508123438 HZCOLXYONMFQLA-IRXDYDNUSA-N 424.567 1.778 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2COCCO2)cc1OC 1518163848 AVBWJCJKCNNRHH-CVEARBPZSA-N 415.450 1.106 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1518765207 MAWHFUIFBMTFTQ-WMZOPIPTSA-N 419.457 1.565 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1=O 1526581554 XGJAZOGTLZGSKY-KGLIPLIRSA-N 409.446 1.682 30 10 HDEE CN1CCc2c(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cccc2C1=O 1529197270 PSPIWRIQGDMROU-UHFFFAOYSA-N 412.471 1.759 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1539125976 RRQJUFOKZVLOAB-GPANFISMSA-N 413.519 1.209 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 1539311948 CXPBTZUCYCONDD-UHFFFAOYSA-N 406.538 1.224 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@H]2OC)CC1 1539428642 VHGMFYBTLPMVHN-QZTJIDSGSA-N 423.521 1.496 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC1 1539441007 HVYUVIRKFUGQNO-SFHVURJKSA-N 412.444 1.996 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1539556054 IYOSLNOAWGLJOU-KGVIQGDOSA-N 414.554 1.578 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)CC1 1539612801 QGDZAGPFRUKPDQ-MSOLQXFVSA-N 420.558 1.166 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539824443 TXUJCYJQBCFIEL-ZIAGYGMSSA-N 403.936 1.648 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1540044223 PFTUNQUKPVOATJ-UHFFFAOYSA-N 412.420 1.959 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1540146422 AFCXHUIBEZIINV-UHFFFAOYSA-N 423.564 1.699 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1540855977 JJWQMYBXMPAOOQ-AWEZNQCLSA-N 409.454 1.384 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@@H]2C)C1 1540881977 YLJSUEPWELIRGU-ROUUACIJSA-N 418.542 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1540907216 OYYWFTFCLZLVOB-UZLBHIALSA-N 421.567 1.770 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540922353 LWADZNUFDRHDJD-OXJNMPFZSA-N 423.583 1.905 30 10 HDEE COC(=O)c1c(C)nn(C)c1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1543221916 OSHQAGHKXVVGCZ-UHFFFAOYSA-N 404.448 1.845 30 10 HDEE COCCNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)C1CC1 1548371087 NJMRNSUDIDWBLT-KRWDZBQOSA-N 424.423 1.767 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1552681879 SMCDMKDJSDYJPI-SJORKVTESA-N 424.461 1.799 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCCC[C@@H]2C1 1552711184 YXYWNLKVQSSBLE-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)C2)C1 1556503549 XZTJHNSJELMLQY-JUFCPRKZSA-N 418.538 1.441 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CC1 1557602370 FPHLSUFNYXQURH-UHFFFAOYSA-N 416.543 1.563 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc4c(OC(F)(F)F)cccc4[nH]3)C2)c(=O)nc1O 1558805062 CSWTVMWTEUPLNO-UHFFFAOYSA-N 419.319 1.898 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(CCC(=O)Nc2ccc(C#N)c(Cl)c2)C1 1560004422 GBAUGICJXLFZNV-XJKSGUPXSA-N 407.854 1.967 30 10 HDEE N#C[C@]12CN(Cc3csc(-c4ccc(C(N)=O)cc4)n3)C[C@H]1CS(=O)(=O)C2 1560193727 JHMRLTLQZSHAQC-KBXCAEBGSA-N 402.501 1.279 30 10 HDEE C=CCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)nn1 1561675104 BQVCONHXAMOIAZ-QGZVFWFLSA-N 423.926 1.842 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C1CCOCC1 1565067308 TVGSNYXPGIFFCK-KPFFTGBYSA-N 415.538 1.836 30 10 HDEE C=CCNC(=O)CNC(=O)c1c(C)cnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1566894809 QIDAVPSEPDNARU-HNNXBMFYSA-N 405.499 1.796 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N[C@@H]3CCCN(O)C3=O)cn2c1 1569676570 VGZCZYDWXSPDFX-CYBMUJFWSA-N 403.439 1.469 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C(=O)c3cccc(C#CCO)c3)CC2)nc1 1583504234 CXXNEMKXXNVCBR-UHFFFAOYSA-N 407.470 1.955 30 10 HDEE Cc1nc(-c2c(C)noc2C)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585659929 AKLPNURMZDCYQS-YVEFUNNKSA-N 406.489 1.734 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2c3ccccc3CC[C@@H]2N2CCCC2)C1=O 1585762326 GZWRAVHMUDEAMC-HKUYNNGSSA-N 410.474 1.231 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1587567838 KVVVHODQORWVSL-NLEAXPPASA-N 404.511 1.726 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1588029972 NIVNYWANSBHPIZ-QGZVFWFLSA-N 418.567 1.867 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1588048394 SJWVBKYZZNFEJM-UHFFFAOYSA-N 423.473 1.763 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1588064838 QCAUHDUAAXXRDP-QGZVFWFLSA-N 417.535 1.316 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1588446122 YXOABYUNBWRTMU-INIZCTEOSA-N 416.551 1.450 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1593635922 CTEIOADXFJQLLU-KBPBESRZSA-N 404.558 1.016 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](CCC)C1 1595561872 FQXHVUFMYPHJLU-GOSISDBHSA-N 423.521 1.824 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1595737475 BNAAZHXFFWUGGR-QZTJIDSGSA-N 417.535 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)C1 1595737736 HFDMOKZNSAZWEA-HPGBDJQBSA-N 401.536 1.956 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CC(=O)NCCO)cc1 1595900035 QGIDZAJHNRXFRU-KRWDZBQOSA-N 403.479 1.583 30 10 HDEE CC/C=C\Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1614276748 JRWKFAVLZLBZND-WAYWQWQTSA-N 407.522 1.993 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1615093228 CYYQBHYOBUKMIH-OPAMFIHVSA-N 424.505 1.679 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1615923532 JSIYABYGIKJNPL-HOTGVXAUSA-N 402.499 1.207 30 10 HDEE O=C1C=COC2(CCN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CC2)C1 1617948098 XRDWCELJBQFBJT-UHFFFAOYSA-N 401.375 1.185 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1OC 1618757724 GOOWFKZPQCZCOR-MSOLQXFVSA-N 412.494 1.441 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1Cc1cnnn1C 1620098134 QTBDPQJJVOSTLY-RDJZCZTQSA-N 400.487 1.309 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1620355052 NUTNILLQKFYVJU-RRFJBIMHSA-N 404.858 1.262 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1622395569 CUFAIDZGEYBRLB-QGZVFWFLSA-N 416.503 1.185 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)cc1 1622886848 VUZIRINSRXFDFQ-KDURUIRLSA-N 411.524 1.338 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(Cl)n[nH]c3C3CC3)CC2)cc1 1625121083 FIWTXVJISPFQIP-UHFFFAOYSA-N 419.894 1.959 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1627389467 BHXMPMYVIYGPNF-VQIMIIECSA-N 406.360 1.799 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](n2ccnn2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1630656672 SFLCDQMETMCZCF-HUUCEWRRSA-N 416.507 1.349 30 10 HDEE CC(=O)NCCN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1631020120 RUDKMSWTOCIKIX-SFHVURJKSA-N 400.479 1.987 30 10 HDEE Cn1cc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c(I)n1 1633657116 LYWXHSNGSQVVKK-UHFFFAOYSA-N 408.199 1.800 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(SC)CCN(C)CC2)s1 1638213883 BBLQQQZQSMZZKD-UHFFFAOYSA-N 417.622 1.699 30 10 HDEE N#Cc1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(I)cc2)c[nH]1 1639885151 URNJCBKCDDTLOJ-AWEZNQCLSA-N 420.210 1.804 30 10 HDEE C=CCN(C[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1642071927 LVQXTWPUXPLSIG-CABCVRRESA-N 414.524 1.214 30 10 HDEE Cc1cc(C2(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCOCC2)on1 1643003139 CNJIHAQZTIXKGW-UHFFFAOYSA-N 418.475 1.234 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](CNC(=O)C(F)(F)F)C2)c1 1643269917 JPHPGSWHSUQNMF-AWEZNQCLSA-N 410.396 1.707 30 10 HDEE COC(=O)[C@H](NCCS(=O)(=O)c1ccc(C#N)cn1)c1ccc(OC)c(Cl)c1 1645564503 CUKJIMPQTBGDBP-QGZVFWFLSA-N 423.878 1.893 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1 1645713498 LLQIXDALNWCPHQ-UHFFFAOYSA-N 419.485 1.613 30 10 HDEE COC(=O)[C@H]1c2ccccc2OCCN1CC#CCN1C(=O)c2ccccc2C1=O 1648519663 BCUMTFHGPLGIDW-HXUWFJFHSA-N 404.422 1.895 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OCC 1656400743 XWPOYHSSCSRWGN-AWEZNQCLSA-N 406.936 1.414 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](O)C1 1665084066 HTESTWVBGMUDSH-CABCVRRESA-N 415.899 1.860 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CCOCC1 1670240143 SMUGGWZHZKAQLG-UHFFFAOYSA-N 400.522 1.531 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](c2nc(C)c(C(=O)OCC)s2)C1 1670883482 YQQDQVXNCXSKKF-ZDUSSCGKSA-N 415.537 1.728 30 10 HDEE C#CCN(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1673905243 OJIQQXIDIHYAFF-KFWWJZLASA-N 401.529 1.510 30 10 HDEE CC#CC[C@H](CO)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1676430022 VYJPJKWLMIFIOR-HUUCEWRRSA-N 403.483 1.347 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)n1 1679152878 IFPOAUCEYFIZQS-UHFFFAOYSA-N 404.492 1.994 30 10 HDEE Cn1c(=O)oc2ccc(CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 1682226385 IMUKISRRCFJOCL-KRWDZBQOSA-N 419.441 1.603 30 10 HDEE CN(C)S(=O)(=O)Cc1ccc(CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1683590635 RVJJZQCGCPYKCO-HXUWFJFHSA-N 412.515 1.916 30 10 HDEE C=CCN(CC=C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685136546 TXORUGBIKBZREQ-OAHLLOKOSA-N 401.529 1.794 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O 1686978298 SUBWUDZUFNDPJL-APWZRJJASA-N 404.536 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1689831627 OERCGAIPMLENMH-UWJYYQICSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cncn1 1689961482 ZLYVEPKQEITBDH-UHFFFAOYSA-N 417.477 1.426 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1689998281 IBPGHWJPHCGADS-DLBZAZTESA-N 421.567 1.241 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1690011635 XHNUTJCIVUANSL-SFHVURJKSA-N 414.460 1.769 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(C)s1 1690031721 UXVMABDGGSCMGW-UHFFFAOYSA-N 406.475 1.597 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 1690120454 VQNORYIMSIEZOP-OALUTQOASA-N 408.554 1.611 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C)COC2)CC1 1690146851 ZFNUILAUKXBHNN-QGZVFWFLSA-N 401.511 1.174 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1690290435 HORSBSCUNVQBOE-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690469181 GXSDIYAZPXWXOS-INIZCTEOSA-N 424.571 1.246 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)N(C)C 1690513907 NGXWUNWEJGOTJD-UHFFFAOYSA-N 404.902 1.962 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC)C1CC1 1690545156 KTFXKHJYTWJBMT-UXLLHSPISA-N 410.540 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690723264 MGGVZBMNHYBRCF-MRXNPFEDSA-N 424.567 1.778 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1690993197 GSULPOLGXLPLSC-NEPJUHHUSA-N 411.919 1.581 30 10 HDEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCS(=O)(=O)CC1 1695311355 FKMUGCNKQKBZIT-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE N#CC1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCCCO)CC1 1698490422 VDFIAUYPAIGWMX-LJQANCHMSA-N 413.478 1.930 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705508199 KOOSVFOSWJMIPY-QGZVFWFLSA-N 416.526 1.047 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCCCCC1 1705534686 OJKJKGWQAQODGC-KRWDZBQOSA-N 409.556 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705544212 IANIBDAMJCAEJT-AWEZNQCLSA-N 404.492 1.466 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccco1 1705601645 QHQZECQYXPUSEZ-UHFFFAOYSA-N 419.489 1.626 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1705613145 WLOMYXNPMPKDFA-AWEZNQCLSA-N 424.473 1.997 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NCC)CC1 1705708336 BBDFZHAGERASTQ-AEFFLSMTSA-N 406.531 1.647 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@H]2C1 1705729072 KELVBJIQCWVJRK-MRXNPFEDSA-N 420.514 1.430 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705760091 AAQQHXLUYAQKII-BEFAXECRSA-N 409.918 1.882 30 10 HDEE C=C1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1705766704 LDQUYCYPCSBOHM-CZIZESTLSA-N 407.478 1.966 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705798962 GPZPBZRJMKZFJY-UHFFFAOYSA-N 411.510 1.527 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(C)=O)C1 1705800487 YOVNHWFINCQXKB-ZBFHGGJFSA-N 412.560 1.350 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705828585 SCDWQHYNKQLLOC-NVXWUHKLSA-N 401.467 1.293 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)C)C1 1705915865 XZIPRECTBJOTDJ-MRXNPFEDSA-N 404.515 1.210 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCC1CC1 1712637050 HKOOOHYVYWKKIR-HKUYNNGSSA-N 416.526 1.658 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722274389 LZCPDOHPFUQOEQ-OKZBNKHCSA-N 416.570 1.860 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1CCS(=O)(=O)NC 1722344406 IYDOUBXBMZHDAK-INIZCTEOSA-N 405.524 1.654 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCNS(=O)(=O)CC 1722413490 DILLMTYQBIJJCG-UHFFFAOYSA-N 411.478 1.546 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1722446701 JCZKPULBIPBBTJ-QZTJIDSGSA-N 421.567 1.446 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C/C=C\CC)CC1 1722448034 UPYCJJBICJOTPT-KEGWNNHHSA-N 419.551 1.112 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)(F)F 1722452776 WPYRVKPHXYFPQC-NSHDSACASA-N 413.491 1.643 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722458179 WVKBTBFXPUHTGK-MRXNPFEDSA-N 414.539 1.085 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccnc2OCCOC)CC1 1722565040 LHWARDHGGOTEJG-QGZVFWFLSA-N 412.494 1.854 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722603994 RQCCCESTPRFHJK-FUHWJXTLSA-N 418.567 1.713 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(F)F)C1 1722692060 WBUVCAIZERDBRM-CYBMUJFWSA-N 419.436 1.709 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CNC(C)=O)CC1 1728201264 CEXRIEHUJSRJTI-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730571908 DLUPGIGQHUJYST-MEUCICPISA-N 423.477 1.339 30 10 HDEE COC[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730576761 VDEYIFJNHOFJGP-STGLLQLASA-N 400.483 1.545 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)cc1 1730878477 VSVYHNLYVDGGLQ-CRAIPNDOSA-N 401.467 1.788 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2C[C@@H]2CCCS(=O)(=O)C2)CCO1 1731188559 HWGJLKQMLISUHH-DOTOQJQBSA-N 401.492 1.499 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1740590542 HZXNPDBYLNWVOB-INIZCTEOSA-N 409.494 1.016 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H](C)N1CCOCC1 1740682588 BCPYORUISRSOHV-GOSISDBHSA-N 413.522 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)on2)CC1 1740693455 YPMPVAFTHIRECV-NRFANRHFSA-N 414.510 1.419 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC2(C)COC2)CC1 1740704208 LWUOTQLFDAWUMM-UHFFFAOYSA-N 423.517 1.956 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC)C1 1740795938 IYJVOEBDHHKQCB-GOSISDBHSA-N 404.515 1.584 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740884596 GLSOZCNVAXOPKU-MRXNPFEDSA-N 420.539 1.731 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)COC(=O)N2 1740959161 MDDGEVFVZALRSP-UHFFFAOYSA-N 411.466 1.030 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1741004875 OVMGJWKAXRXYFU-BEFAXECRSA-N 409.556 1.516 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1741133234 PIEGYIGHOOZEET-CABCVRRESA-N 410.544 1.397 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1747648254 ASOWANIREHAVBG-QBNCKDSPSA-N 423.477 1.015 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1748734941 KXMBZOJLVQYQDQ-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748823744 AXLPQALUFSFBCD-LTIDMASMSA-N 410.515 1.895 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1CCCO[C@@H](C)C1 1748848925 YCZDDFKEOHFXSI-FQEVSTJZSA-N 406.534 1.838 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(OC)CCOC1 1748887548 DAZOUQYRULWMOL-NRFANRHFSA-N 411.462 1.274 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1748905496 GDRQJEMYCRQJPF-MRXNPFEDSA-N 407.544 1.251 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1748914193 AZBILKDOWOVHPQ-UHFFFAOYSA-N 420.473 1.964 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1748925266 FUVWVCBKDUNSHM-KSSFIOAISA-N 408.549 1.609 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC(=O)Nc2ccccc2)CC1 1748987648 ZQLXOIZFVQNWJW-UHFFFAOYSA-N 416.489 1.519 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CC(OCC)C2)CC1 1748991380 VOIIREGMLVDRMP-DAWZGUTISA-N 400.527 1.190 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 1749003910 AMCSKSPRAMDGAJ-SFHVURJKSA-N 420.561 1.999 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1749066978 OFCDBFVRKKCCRF-NPPFBWRTSA-N 415.538 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749128482 WPCDGOMETDJTQO-XIRDDKMYSA-N 420.539 1.283 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749234089 ACBAEKWXFZLFFP-MSOLQXFVSA-N 403.527 1.999 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1749330753 MOVUGFDTNQXRGN-FQEVSTJZSA-N 424.567 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1749664481 OQGXGALYXALHHA-SFHVURJKSA-N 410.522 1.860 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1749784547 NRYGTOKMTGXXHY-OAHLLOKOSA-N 413.482 1.234 30 10 HDEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760137557 UXALPEFIYBLZOP-UHFFFAOYSA-N 412.538 1.620 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)NCC)CCC1 1760168074 NAPYWGUZWTYGAX-UHFFFAOYSA-N 419.493 1.297 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1760177363 PERFFUOXMPKRKY-ISLYRVAYSA-N 411.491 1.230 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC1CC1 1760246735 AZMVQAUOLSNRCF-UHFFFAOYSA-N 402.886 1.606 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccccc2)CC1 1760257669 DMSLSPHXMOEENV-JOCHJYFZSA-N 405.506 1.342 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2cccc(C(=O)NC)c2)CC1 1760257677 DSHHGALJMYMPIU-UHFFFAOYSA-N 415.501 1.503 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnn(CC)c2)CC1 1760262330 LWNLXXKLVRFZEV-UHFFFAOYSA-N 419.533 1.897 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1cnnn1 1760291049 YNUGVLUWQHNVIQ-UXHICEINSA-N 414.514 1.388 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1760293317 RJBJCCFMFBCMER-GOSISDBHSA-N 400.508 1.695 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760324742 MDPBEVZNQGWLCY-CDXJDZJCSA-N 410.522 1.912 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCS(=O)(=O)N(C)C 1760328956 KAPLNBUYOHQDGP-UHFFFAOYSA-N 421.527 1.219 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1760336231 WHVNUIXMVICNRJ-WFEDQXDTSA-N 416.526 1.267 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760357394 CSEOMHOJSYHCRN-UHFFFAOYSA-N 418.586 1.958 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1760450126 DULIYVYCWXPMHS-SFHVURJKSA-N 414.510 1.769 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1)C1CC1 1760473297 PQEAAHQWBSSXOQ-ROUUACIJSA-N 402.543 1.741 30 10 HDEE CC1=CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1762179540 SWUZKKCFIAQNLV-IGGDJGDASA-N 412.494 1.855 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCOC2)cs1 1762279780 NZVLIKKQIIDZFE-LJQANCHMSA-N 402.524 1.915 30 10 HDEE CCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766524424 XPANMWJXQBEGSZ-DLBZAZTESA-N 401.515 1.222 30 10 HDEE CO[C@H](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)C(F)(F)F 1769603832 DQSVNZFVXBEBGM-CHWSQXEVSA-N 400.405 1.937 30 10 HDEE COCCOCCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1770146356 QWHQNPFFLADYQF-MRXNPFEDSA-N 401.467 1.736 30 10 HDEE CSC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1770469084 GOZQGVXYXFVEKP-CZUORRHYSA-N 413.544 1.908 30 10 HDEE COCCN(C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1771078079 DSOKDWVTFQVXDZ-QGZVFWFLSA-N 404.902 1.905 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCS(=O)(=O)CC 1772516639 JDQRCHZMWUNJNL-UHFFFAOYSA-N 418.494 1.894 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788725 FMPKSMRTMBADGL-NSHDSACASA-N 404.400 1.116 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)CC1 1849382392 ZRRAWJYGODAGCL-UHFFFAOYSA-N 422.485 1.673 30 10 HDEE Cc1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 1849550642 ASIDTFVOOIBEDF-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE C=CCN(C(=O)[C@@H](C)n1nc(-c2ccc(OC)cc2)ccc1=O)[C@H]1CCN(C)C1=O 1849757319 HIONPGKHHLWYJA-BEFAXECRSA-N 410.474 1.725 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N(C)CC(=O)N3CCN(C)CC3)n[nH]2)c1C 1851096427 FBIKSVWRTJZZNZ-UHFFFAOYSA-N 413.526 1.312 30 10 HDEE N#Cc1ccc(N2C[C@@H](OCC(=O)N3CCN(c4ccc(F)cc4)CC3)CO2)nc1 1851211237 CXAZNAPIRAZZMD-LJQANCHMSA-N 411.437 1.578 30 10 HDEE CC(C)[C@@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1851561547 GGXWJKZFISNBKD-FQEVSTJZSA-N 419.547 1.683 30 10 HDEE CC(C)[C@H](C(=O)N1CCN(c2nccc(C#N)n2)CC1)N1Cc2ccccc2C1=O 1852127699 RLDUHZSPWKGEKN-LJQANCHMSA-N 404.474 1.677 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccn2)C(=O)C12CCCCC2 1854415769 MPFGRLZTEPSUIE-HOTGVXAUSA-N 416.503 1.412 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O)[C@H]1CCOC1 1854515914 CQIKMBCYTYSESL-ZBFHGGJFSA-N 419.503 1.369 30 10 HDEE N#Cc1cccc(C(=O)N2C(=O)CN(CC(=O)N3CCOCC3)c3ccccc32)c1 1854835645 TVHXUNVCGPCGTB-UHFFFAOYSA-N 404.426 1.410 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCOC3)C2=O)CC1 1854862946 YXFWFFXZXDKYAP-RTBURBONSA-N 412.490 1.598 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@H]4CN(C)C[C@@H]4C3)ccc21 1855491095 FFYGFAUXUIBWDI-HZPDHXFCSA-N 403.504 1.251 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC[C@H](Oc4ncccn4)C3)CC2=O)ccn1 1855728369 VIXKHUWPLATDFS-YJBOKZPZSA-N 406.446 1.275 30 10 HDEE CCOCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCC2)C1=O 1856265486 WEDZQJUWLCXOJK-UHFFFAOYSA-N 405.476 1.267 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@H](F)C3CCCC3)C2)C1 1856386432 OHNJAWBLFKPJGS-JLTOFOAXSA-N 400.454 1.920 30 10 HDEE C=CCN(Cc1ccc(S(=O)(=O)NC(=S)N(C)C)cc1)[C@H]1CCN(C)C1=O 1856896780 XLSVFEGWMPTOPI-INIZCTEOSA-N 410.565 1.030 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C3CC4(CCOCC4)C3)C2)CC1 1857033818 FUOIADKVAGYURL-INIZCTEOSA-N 423.535 1.134 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(CC3=NCCO3)c3ccccc32)CC1=O 1857071178 FGWQOYAGUQSAKD-HZPDHXFCSA-N 410.474 1.608 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)cc1 1857077646 KDULVKFRHGTYJS-OAHLLOKOSA-N 412.471 1.465 30 10 HDEE CCOc1ncccc1C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112407 XRQTURCMVYVQMZ-KRWDZBQOSA-N 407.430 1.251 30 10 HDEE CC(=O)CCC(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857121957 BQRRMUICRBGYLM-SFHVURJKSA-N 416.522 1.205 30 10 HDEE C[C@]12CCC(=O)N1CCCN2C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1 1857458990 MCEYSXCGOOYRIF-WMZHIEFXSA-N 408.502 1.910 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](C(=O)Nc4cccc(C#N)c4)C3)ccc21 1858416751 RWIWBDNYHUBUPJ-OAHLLOKOSA-N 424.482 1.726 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2)cc1 1859010664 ZYQVUGIEBLEFKH-UHFFFAOYSA-N 416.455 1.472 30 10 HDEE CN(C)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C)CC1 1870350049 NVRWTSNUEVZULX-UHFFFAOYSA-N 409.534 1.608 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2Cl)c(=O)cc1CN(C)CCO 1870653472 JMKNFNOHXDTKJM-UHFFFAOYSA-N 419.909 1.807 30 10 HDEE C[C@H](F)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2015913173 QZIDBDUMEKAOFV-AAEUAGOBSA-N 424.282 1.966 30 10 HDEE CC1(C)C[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2174784561 PJCZPHIIAMOAQM-LSDHHAIUSA-N 400.545 1.949 30 10 HDEE C[C@@](CC(F)(F)F)(NC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)C(=O)O 2180580457 DMGUCHQFDBUMTI-JGVFFNPUSA-N 406.201 1.898 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1ncccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2212757753 JZOCCSWVVACXAX-ZDUSSCGKSA-N 408.260 1.738 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2243406423 YJCQTTSXLSMRNR-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243687524 XTILNUUKKGCQSP-UHFFFAOYSA-N 409.336 1.747 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(NC(=O)C(F)(F)F)C3)ccc2F)OC1(C)C 2247768396 QTZKANPCBHDXPK-UHFFFAOYSA-N 416.180 1.628 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247823569 PSKFUFDGENGWJN-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247914242 IDKQXZPOFCAEDX-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2247920099 VPEGQEULZKSVBY-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247921813 WAHCNZNDYGPGHX-KGLIPLIRSA-N 418.303 1.561 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258183431 SJUYEQIWBSXSQY-KRWDZBQOSA-N 408.476 1.129 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC34CNC4)cc2Cl)OC1(C)C 2267355104 SOICODWZCFMDAM-UHFFFAOYSA-N 404.750 1.437 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)C3CC4(C3)OCCO4)ccc2F)OC1(C)C 2277953813 BQRVZFHVVIYAHI-UHFFFAOYSA-N 413.276 1.772 30 10 HDEE CN(CC(C)(CO)CO)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281974149 DCXMZTYMEAGXCC-UHFFFAOYSA-N 403.737 1.764 30 10 HDEE Cc1csc(C(=O)NCCCCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282001201 YATBAESXVDHZIX-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CC[S@@](C)(=O)=NCCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282132051 YJMAADZMPIMOMF-AREMUKBSSA-N 401.363 1.598 30 10 HDEE CCN(CC(=O)NC)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282309565 HJFUVPBMSKEVHW-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CO[C@H]1CC(=O)N(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282317547 SOPBCTUUWQOTOT-VIFPVBQESA-N 421.733 1.637 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CC[S@@](C)=O 2282324898 WROKMXSXWBHHTE-SSINHNECSA-N 421.415 1.791 30 10 HDEE CN(C1CCSCC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282327615 KZJRRFUUEXRLFB-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2282346180 MFXBQOSSRIZMAB-JTQLQIEISA-N 415.264 1.903 30 10 HDEE C=C(CS(=O)(=O)N1CCC[C@]12CCS(=O)(=O)C2)B1OC(C)(C)C(C)(C)O1 2282488408 ASUXOCJZLLOSJL-MRXNPFEDSA-N 405.347 1.157 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCCN2CCCC2)OC1(C)C 2282500535 YUKPJILTVQYUNB-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@@H]2CO)OC1(C)C 2282501743 BCXHHAIRUDTBTP-OCCSQVGLSA-N 401.359 1.628 30 10 HDEE CC[C@H](O)CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503919 HOCUONIADJCORD-LBPRGKRZSA-N 404.363 1.413 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H](O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282829999 NUMBKIIYFNTYNE-ZDUSSCGKSA-N 403.375 1.993 30 10 HDEE CC(C)C[C@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835992 DCVRVTXLGQMVMV-LBPRGKRZSA-N 404.363 1.269 30 10 HDEE C[C@@H]1CC(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282841242 TXDQIHAPHQNMAQ-GHMZBOCLSA-N 400.331 1.529 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=S2(=O)CCC(N)CC2)OC1(C)C 2282848677 QLZAUEVZMKDUIM-UHFFFAOYSA-N 420.387 1.325 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CN 2282852920 WEILXVPBDVRPAK-RYUDHWBXSA-N 400.375 1.699 30 10 HDEE CC[S@@](=O)(=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(C)C 2282858100 RSRWOXSPAVAHCL-VWLOTQADSA-N 405.351 1.304 30 10 HDEE CN1CC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282869661 GMIOJIBIRTYAPE-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE C[S@](=O)C1CN(C(=O)c2cc(F)c(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282969540 DLRGFEVOEDRSFA-SANMLTNESA-N 401.696 1.981 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2284403928 UMOGOCAOUUYBCQ-GFCCVEGCSA-N 401.315 1.497 30 10 HDEE CC[C@@H](C)N(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284406213 VKRMSEBYTLRYGW-LLVKDONJSA-N 403.331 1.921 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284409423 JDBXKSISCHSTBM-NSHDSACASA-N 403.331 1.887 30 10 HDEE C[C@H]1C[C@@]1(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284411872 PIPIHBSUJGGVMG-QFYYESIMSA-N 401.315 1.436 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2284411889 PNUMDVYIKJQOMX-UHFFFAOYSA-N 403.331 1.145 30 10 HDEE C[C@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 2285391395 NHCSKJJEVCTRGH-LBPRGKRZSA-N 401.460 1.594 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2338488048 SGMXEXZZFUXDQJ-KNQAVFIVSA-N 402.491 1.547 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200642 AAGMXIGILXUKJD-ZBFHGGJFSA-N 403.541 1.930 30 10 HDEE CC1(C)OB(c2c(F)cc(NS(=O)(=O)CS(C)(=O)=O)cc2F)OC1(C)C 2366885852 XHFAIJZGZFOMAJ-UHFFFAOYSA-N 411.257 1.008 30 10 HDEE N[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@H](O)c1ncc(Br)cc1Br 2368319213 PFWHLGMECQCBKB-VBZNALHCSA-N 402.086 1.863 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccccc1OC 16893840 VQFAZCOQAQCWCE-HNNXBMFYSA-N 419.463 1.071 30 10 HDEE CC(C)n1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2N)cn1 20921101 JLHAEFAOHFBSOP-ODCIPOBUSA-N 424.494 1.818 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2ccccc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 21036550 UFEMGAWVJQTXFN-AWQFTUOYSA-N 421.442 1.865 30 10 HDEE C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294970 OMSCYTGCBXLXHI-IAGOWNOFSA-N 404.536 1.654 30 10 HDEE COc1cccc(C(=O)/C(=C(/S)NCC(=O)N(C)C)[n+]2cc(O)ccc2C)c1 139907613 HIOSDPRPXYJQRB-UHFFFAOYSA-O 402.496 1.613 30 10 HDEE COc1ccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254608633 SBUZTPLJWLNWOQ-OWCLPIDISA-N 410.517 1.471 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccc(O)cc3)n2CCc2ccccc2)n(C)c1=O 254825607 KHGCFFMCLVJZEP-UHFFFAOYSA-N 418.457 1.828 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 301386711 XKDLVUQDEBTPOZ-UHFFFAOYSA-N 416.478 1.878 30 10 HDEE COc1cc(NS(=O)(=O)c2cnc(C)c(C#N)c2)ccc1S(=O)(=O)N(C)C 427341656 GQAFHSXMQFGYEA-UHFFFAOYSA-N 410.477 1.321 30 10 HDEE COc1cc(C)cc(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1C 427898050 ZLXSABYUGLCARD-UHFFFAOYSA-N 404.430 2.401 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2cccc(C#N)c2)CC1 429307040 IUAXYEOFPGFCIW-LSDHHAIUSA-N 416.478 1.567 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)NC(C)=O)cc1 471696900 KHECIFIVKUMWON-FQEVSTJZSA-N 424.505 1.525 30 10 HDEE CCCN(CC)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 473171441 GVSRKQKBEOWOCU-UHFFFAOYSA-N 407.540 1.306 30 10 HDEE Cc1ccc(C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1S(=O)(=O)NCC#N 478428206 NIKBQPORKPPEMF-IBGZPJMESA-N 407.492 1.207 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1 479875837 RKOAQYCSVZWFMC-CQSZACIVSA-N 419.482 1.920 30 10 HDEE Cc1nc([C@@](C)(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C2CC2)no1 497540965 YPWKRCLYSADCCE-VOJFVSQTSA-N 403.464 1.358 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(C3CC3)C(=O)C2)c(C#N)cn1CCOC 504701935 YQFCABWITQFAAQ-UHFFFAOYSA-N 403.439 1.021 30 10 HDEE N#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1)C1CC1 505918330 ZTGSOKZMKHCZGE-KRWDZBQOSA-N 419.503 1.667 30 10 HDEE C=C(C)Cn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1nsc(N(C)C)n1 507351490 ZPWZRCSPQGQMQJ-UHFFFAOYSA-N 405.509 1.808 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 509207151 AVUAGKLQMPPIRG-OAHLLOKOSA-N 414.553 1.181 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(CC(=O)N2CCN(C)CC2)CC1 533377868 BZKBMURXTFCXCI-GOSISDBHSA-N 403.571 1.594 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(CC(C)C)c2=O)c1 539598442 KCGRAFDEFUUXKS-UHFFFAOYSA-N 412.515 1.060 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cccc(Br)c2C#N)CCS1(=O)=O 561473667 DVZBDOBXNBUNEN-UHFFFAOYSA-N 407.311 1.518 30 10 HDEE COc1cc(CNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)ccc1C#N 569634881 FBMTUYJRDMQHHY-UHFFFAOYSA-N 409.490 1.858 30 10 HDEE COc1ccc([C@@H](CC(=O)O)NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 581108165 QOWWCLZZDAPDKG-OAHLLOKOSA-N 405.432 1.773 30 10 HDEE Cc1cc(C(=O)N(C)CCOCc2ccc(C#N)cc2)nc2c1c(=O)n(C)c(=O)n2C 583016752 GQUDOXOXQIOEHO-UHFFFAOYSA-N 421.457 1.101 30 10 HDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 584134317 GNXQPUOSONAIRK-DJJJIMSYSA-N 404.492 1.864 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)[C@@H](C)C1 586864056 IWSYBWLJKWJELQ-HNAYVOBHSA-N 404.486 1.567 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCC1 589230254 GHRFCMJQYZCRPY-QGZVFWFLSA-N 423.510 1.456 30 10 HDEE CCC[C@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 608816356 MOXDYAGWZSASKC-CYBMUJFWSA-N 416.297 1.611 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)c(F)c1 609253011 OWRGCYJMBYHEOL-INIZCTEOSA-N 412.421 1.821 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 733676310 VLGCONXQBPECKS-INIZCTEOSA-N 413.521 1.099 30 10 HDEE COC(=O)[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1cccs1)c1ccc(C#N)cc1 740213595 JNHBJBXDSLIPNA-IAQYHMDHSA-N 408.457 1.744 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C2CC2)CC1 742442522 OEXWMDJAQUGIPB-QGZVFWFLSA-N 404.536 1.591 30 10 HDEE Cc1cc(C)c2c(c1)C(=NOCC(=O)NC[C@@H]1CN(CC(C)C)CCO1)C(=O)N2 749787797 ZPATXAOZHCBPPV-MRXNPFEDSA-N 402.495 1.449 30 10 HDEE C#CCCNC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 758798760 ZGKHJRWEVXKADD-DLBZAZTESA-N 406.527 1.947 30 10 HDEE C#CCC(C)(C)C(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC 767648996 GQMFYFLMUOZKKB-CYBMUJFWSA-N 410.492 1.865 30 10 HDEE COc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)cc1C#N 779535704 DEPHXNHFNRQRGS-LIRRHRJNSA-N 417.487 1.219 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 780630388 MKZWAPKDBOBCJC-ZDUSSCGKSA-N 401.444 1.532 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 780724590 DCDYGLAGBGDRGQ-NRFANRHFSA-N 416.478 1.812 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)CCCC1 786298009 UAMSNJFFVPETIB-OAHLLOKOSA-N 415.494 1.574 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CCN(CC(F)(F)F)CC1 792445848 QYIGZFPEFWKPJF-ZFHSLQLHSA-N 402.417 1.682 30 10 HDEE N#Cc1cnn(CCOC(=O)[C@H]2CCO[C@@H]2c2cnn(-c3ccccc3F)c2)c1N 796981386 CXPDKHAFRPDNJE-MAUKXSAKSA-N 410.409 1.983 30 10 HDEE COc1ccnc(NN=C(C)c2ccc(Br)c(S(N)(=O)=O)c2)n1 797402077 TWIVKRVQUZLCLI-UHFFFAOYSA-N 400.258 1.731 30 10 HDEE C=CCN1CC[C@H](OC(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)C1=O 798571255 ZLLSYIQCETXSTM-INIZCTEOSA-N 407.430 1.784 30 10 HDEE COC1(c2ccccc2)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 804914330 RUYFHANVZMOWIB-UHFFFAOYSA-N 413.499 1.889 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 812465459 QFPICFLFGTZDTB-SNAWJCMRSA-N 400.483 1.866 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 815064102 ANZVDOKUHRTFEH-HZPDHXFCSA-N 411.549 1.397 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)cc1C 816691354 PNFRGVPRGQWWMV-QGZVFWFLSA-N 403.460 1.824 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccc(-n3cncn3)nc2)CC1 1136220382 YVXUACKLBZSXGX-UHFFFAOYSA-N 410.478 1.929 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)Nc2cnn(CC#N)c2)cc1 1136435172 AGZGMBQYOOHXOP-WMZOPIPTSA-N 417.491 1.293 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)C3CCCC3)ccc2F)CC1 1150000971 SLYNBKBQGABTJQ-UHFFFAOYSA-N 407.467 1.740 30 10 HDEE CCOc1ccc(NC(=O)CN2CC(C)(C#N)C2)cc1S(=O)(=O)N(CC)CC 1169871836 BLOLIUYSWXOCQZ-UHFFFAOYSA-N 408.524 1.900 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCOC[C@@]2(CO)C1 1176524809 VALUDFGPLUHDOI-JXFKEZNVSA-N 404.536 1.398 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1182976033 CHNJPODGWYTBRV-UHFFFAOYSA-N 401.488 1.718 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190993052 JEGAUAWUDCTXDG-QGZVFWFLSA-N 415.899 1.862 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)F 1195260474 JMPFDXSMOIAWKD-UHFFFAOYSA-N 406.476 1.401 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC4(CCN(C)CC4)CC3)CC2)o1 1196798655 LTPQQHHDIGNFGV-UHFFFAOYSA-N 400.527 1.311 30 10 HDEE C#CCN(C1CCCCC1)S(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1208855356 PUKKHQLYRFYLSY-UHFFFAOYSA-N 418.515 1.897 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1 1215890598 HKHVVKVUBHODQK-UHFFFAOYSA-N 404.423 1.966 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2C[C@H]3C[C@H]2[C@H](CO)C3)nn(-c2ccccc2)c1N 1251575994 HETMAZTXOWHDHO-TXDAXLQXSA-N 408.506 1.965 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 1271341367 DNYQFSHSROQDCA-UHFFFAOYSA-N 405.520 1.990 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccnc1OCC)[C@H]1CCS(=O)(=O)C1 1286388800 BWDFVLNHYRXBNK-KRWDZBQOSA-N 415.519 1.624 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCC1 1286462626 PLADGBDZKSCAHT-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CC(=O)N(C)CC)n1 1286468931 AEVLEHZWUHPMGP-UHFFFAOYSA-N 415.542 1.537 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 1286470287 WPDVSWVOFNCNRX-MRXNPFEDSA-N 414.476 1.420 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(C)(C)O)CC1 1286472755 KIVUYFIGWRQTRT-OAQYLSRUSA-N 405.543 1.235 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cc(F)cc(OC)c2)CC1 1286479948 QTVOELNAQWPEAH-GOSISDBHSA-N 412.469 1.180 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCCCCO)CC1 1286481327 DKFKCBBWGOTCPS-UHFFFAOYSA-N 402.568 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(O)cc2)CC1 1286492512 HPCJEYQBAVZQNN-GOSISDBHSA-N 409.490 1.502 30 10 HDEE C=CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286704156 LGFAJCUHMVZEQG-KRWDZBQOSA-N 407.478 1.909 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286710922 GCGLHEOLGPDSIN-UHFFFAOYSA-N 422.555 1.675 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1F 1286786715 XYPLUBUXQDCWJF-INIZCTEOSA-N 400.458 1.697 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)CC1 1290434785 UBFQCKGQSRDKBQ-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(C)(=O)=O 1292082783 ASJTXPRZUYLCLQ-SFHVURJKSA-N 410.544 1.371 30 10 HDEE CC[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293587539 POGUBGKEAWCYFA-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)C 1294846661 HFFQVBATUFLVMF-UHFFFAOYSA-N 411.510 1.694 30 10 HDEE CN(c1nnc([C@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1298155979 NVNMONZDHZBMEQ-CZUORRHYSA-N 405.480 1.656 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCS(=O)(=O)C1 1300536182 FZYYCFCCKULKFI-HZPDHXFCSA-N 417.535 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1300587200 JBHFECDDOPVSJN-UHFFFAOYSA-N 410.503 1.024 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccc(F)cc1 1301422731 VHUBOXKIPKIUQN-LAUBAEHRSA-N 417.485 1.915 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(NC(C)=O)CC1 1301589519 UEKHIKMQXHNZEK-UHFFFAOYSA-N 411.572 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@@H](c2ccccc2)C1 1301593499 OJLAJHCMWIKFET-GOSISDBHSA-N 420.535 1.993 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc2c(c1)C(=O)NCC2 1303353295 CXWUFJPOPUBFMS-UHFFFAOYSA-N 421.505 1.490 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)n(-c2cccc(F)c2)c1C 1307978292 MHFYQRKCIWLQCR-KRWDZBQOSA-N 413.453 1.620 30 10 HDEE COc1ccc([C@@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)cc1 1308006903 RRAIHYPZYBFSBN-RTWAWAEBSA-N 400.523 1.761 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(O)(Cc3ccccn3)CC2)c1 1309879836 CSADSPDQAFHPKT-UHFFFAOYSA-N 415.515 1.756 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc1 1310196695 UTDCJXJRWNZIBL-GOSISDBHSA-N 421.519 1.778 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)C1 1313291397 KYGFZTFWMOBZIJ-OFNKIYASSA-N 410.518 1.297 30 10 HDEE CO[C@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1315272789 RYUQKAIPEWLHFV-LPHOPBHVSA-N 414.422 1.388 30 10 HDEE COCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316041312 AUHAGEXDAOLTFN-UHFFFAOYSA-N 407.482 1.308 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@@H]1OC 1316284589 BBFCGHWRFRGRBC-LLYLOPHFSA-N 423.489 1.496 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1358926741 ZZIPJDCTKYSGNQ-INIZCTEOSA-N 405.466 1.285 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1([S@@](C)=O)CC1 1358937898 KSWCZERPOCVJIR-MUUNZHRXSA-N 419.938 1.842 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1359007452 KOSXPKFRSJVSBT-UHFFFAOYSA-N 407.434 1.008 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(N)=O)c1 1359111137 QAGBRYAFPJEKIL-UHFFFAOYSA-N 409.494 1.993 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCOCC1 1359280814 FQNVHBNYTUFCRG-UHFFFAOYSA-N 414.510 1.569 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1359311646 FSYANHUSQMERIB-DXQAYGFFSA-N 400.483 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccccc1 1359331483 ANXQCQVPQFZYJJ-KRWDZBQOSA-N 417.535 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1359332481 YPRPKVVWOAAUBR-QFBILLFUSA-N 407.540 1.903 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1=O 1360771108 SUNQGUIVLUIMAG-QGZVFWFLSA-N 409.446 1.711 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN([C@H](C#N)C(C)C)CC1 1443052301 KXFDNHATSLLYTQ-LLVKDONJSA-N 401.252 1.629 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cnn(CC2CCC2)c1 1457000121 FDJSLMCYYKSHQU-AWEZNQCLSA-N 401.492 1.711 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CC(=O)NCc2cccc(C#N)c2)CCO1 1460538958 APYMYUKIZMUKIH-OAQYLSRUSA-N 403.479 1.234 30 10 HDEE C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1463912689 GTYOJOBWVAYAHP-DOTOQJQBSA-N 417.510 1.466 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2COc3ccc(O)cc3O2)nn(-c2ccccc2)c1N 1464069951 YIVIYBFJEALQJU-HXUWFJFHSA-N 419.441 1.921 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)cc1 1464341756 OBKUTANEHGXWDA-GONXEDJWSA-N 422.551 1.673 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc([N+](=O)[O-])ccc2Sc2nc[nH]n2)C1=O 1467531261 DQPLITMWVKNQNT-CYBMUJFWSA-N 402.436 1.723 30 10 HDEE C#CCN(CC(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1)C(=O)OC(C)(C)C 1467624541 QANFUBTVOCZBIU-UHFFFAOYSA-N 413.482 1.668 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1468479022 IFTPIRHIOPYTJC-MRXNPFEDSA-N 402.472 1.918 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 1471451238 QEUKNJOQSRLERO-UHFFFAOYSA-N 408.867 1.220 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 1472145160 DZNQDAIBQRUTOQ-UHFFFAOYSA-N 420.394 1.508 30 10 HDEE Cn1nc(C(F)F)c2cc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)sc21 1472370082 CCRSWQDPHOUNOI-UHFFFAOYSA-N 406.374 1.403 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2C1 1475737691 OOOCYBVLMHYJTJ-UHFFFAOYSA-N 410.517 1.679 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cccc(CO)c1 1499162748 UYNFJMYHTCHULU-UHFFFAOYSA-N 403.490 1.974 30 10 HDEE COCCOCCn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1505053335 ZGQAMWBAVTYXSK-SFHVURJKSA-N 401.467 1.557 30 10 HDEE CSCCCN(C)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1505258209 XKAAQOZHEGFILF-VLGSPTGOSA-N 415.523 1.989 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC[C@H]2CO)CC1 1505320332 IQDAJXUNDZZVDR-OALUTQOASA-N 402.543 1.759 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1 1507648438 ZYDDIBMSYBQLCW-UHFFFAOYSA-N 402.502 1.736 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1CCS(=O)(=O)CC1 1507667248 LDKBFAXTUWZFIJ-UHFFFAOYSA-N 411.531 1.936 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1508027678 MTZBUEPCGHGEHD-LJQANCHMSA-N 406.508 1.533 30 10 HDEE CC(C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1508715436 NPPKNBRGLYKNIO-NWDGAFQWSA-N 421.445 1.497 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)C1 1510311047 VJDVFNFYVGWGHB-AVRDEDQJSA-N 422.489 1.776 30 10 HDEE C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCC[C@@H](C)C1 1512177318 AVGLYACCLJAEDA-SQNIBIBYSA-N 415.542 1.250 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N(C)C 1513313514 BMUKOQBOXICHHP-UHFFFAOYSA-N 411.510 1.793 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCC(OC)CC2)CCOC1 1516219174 CXRMIVNXFWUYJE-YMPMHWPESA-N 419.526 1.864 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@@H]([C@@H]4CCCO4)C3)CC2=O)cc1Cl 1525760823 BVTZWLDLBXURHT-FHLIZLRMSA-N 403.866 1.971 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1528553120 UCYYRQPGNDRCCP-XOBRGWDASA-N 419.865 1.745 30 10 HDEE CNC(=O)[C@@H](CNC(=O)[C@H](C)n1cnc(C#N)n1)Cc1ccc(C(F)(F)F)cc1 1530751160 JDJKDNZHWMPTJM-WCQYABFASA-N 408.384 1.451 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCCN1CCCS1(=O)=O 1531222923 QIQSWRCNEOIVJM-UHFFFAOYSA-N 416.297 1.241 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 1539446642 HNNHPHDQZFUNJX-GOSISDBHSA-N 423.583 1.142 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(C)(C)OC)CC1 1539459346 FFWSCRQFBDPOHU-UHFFFAOYSA-N 408.506 1.909 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccccc2OC)CC1 1539459485 HSOYYJMRAMORPS-UHFFFAOYSA-N 419.533 1.952 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1539533378 ALLLXPCTFNCDAP-HSZRJFAPSA-N 422.533 1.831 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539868341 JOKUATOWJBOEKY-MRXNPFEDSA-N 407.540 1.351 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540004568 BCHKQCRYOXNJNJ-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 1540603023 QMLYUOWTVORCGC-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE COc1cc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ccc1C#N 1540816426 DLSFBAAUYVUQOG-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1540872668 XBIJYGDTKLADIV-GOSISDBHSA-N 410.522 1.442 30 10 HDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1541365739 FUKRHTFTMJJARF-LJQANCHMSA-N 407.522 1.874 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1541702315 AUIBXJHQJOVQDX-UHFFFAOYSA-N 407.522 1.953 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1543267632 GHTWZGJXVHAGLZ-XNDRKVBMSA-N 413.540 1.665 30 10 HDEE COc1cc([C@H](C#N)NC(=O)COCCNC(=O)OC(C)(C)C)cc(OC)c1OC 1544487063 RHDIZSRHOOFVHJ-AWEZNQCLSA-N 423.466 1.935 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)c12 1546102862 OTKSIAIOKZGUBC-HNNXBMFYSA-N 402.476 1.306 30 10 HDEE CCSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1552621044 MHRJGPMDJPLGDY-CJNGLKHVSA-N 401.533 1.765 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1554528948 VOCVEZZXLZUNJU-SFHVURJKSA-N 412.494 1.394 30 10 HDEE COC[C@@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1555278910 GCAWWZAOORVOBS-FUHWJXTLSA-N 403.458 1.785 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)[C@H]1CCCOC1 1557020983 VNEBXFJJVXCUCK-DOTOQJQBSA-N 423.535 1.189 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1558602226 JJOXYWFWOPJTLK-CQSZACIVSA-N 402.270 1.112 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCN2CCOCC2)[C@H]2CCSC2)c1 1559946049 JRNFCTKZSDTZSV-IBGZPJMESA-N 416.547 1.456 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1-n1cnnn1 1570834232 XZQJHFYWOOMREO-GOSISDBHSA-N 403.446 1.893 30 10 HDEE Cc1cnc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 1570908588 JPNSCJZXAIHWIX-UHFFFAOYSA-N 400.504 1.876 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN(C)C)CC2)cc1 1587079005 PKGFLMUYWWMQDI-UHFFFAOYSA-N 405.564 1.892 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCOCC2)CC1 1588762122 FGABFTDXCSJXML-LJQANCHMSA-N 424.549 1.430 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCCNS(C)(=O)=O)C1CC1 1595050627 LTQZBBWUWBREHF-UHFFFAOYSA-N 422.511 1.100 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595523558 YNBUCOCJIDAEQY-ZDUSSCGKSA-N 400.414 1.027 30 10 HDEE N#Cc1cn(CC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)c(=O)nc1O 1597045741 TWNVMRBZYQRRBJ-CYBMUJFWSA-N 401.854 1.825 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)CC1 1615841842 GYYKBVYCZIPQJF-ROUUACIJSA-N 412.542 1.038 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)Cc1c(C)cc(C#N)cc1C)CCS2(=O)=O 1616810897 PLQNBNSUZQUNOP-BQIYRTECSA-N 418.515 1.733 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1csc(C)n1 1620110852 CTXUJNDVFFTABV-XIRDDKMYSA-N 418.523 1.739 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2CCC(=O)Nc2sc3c(c2C#N)CCC3)n[nH]1 1620676322 RVACOWKAYXNCBC-RISCZKNCSA-N 400.508 1.925 30 10 HDEE CC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@H](CC)CN1C(C)=O 1621195890 KPLDBUSQTSSHFF-HUUCEWRRSA-N 409.483 1.984 30 10 HDEE C#CCN(CC(=O)NCCN(CCOC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1624512555 NXFZGHTUUGVRGA-UHFFFAOYSA-N 413.515 1.856 30 10 HDEE C=CCN(C(=O)CCN1C(=O)CCNC1=S)[C@H](Cc1ccccc1)C(=O)OCC 1625224465 KSKAJSZLIVNSFC-QGZVFWFLSA-N 417.531 1.672 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc(-c3ccc(F)c(F)c3)n2)C1=O 1626005261 PPHGWRYQISPUPP-UHFFFAOYSA-N 401.329 1.337 30 10 HDEE C=CCOC[C@@H](NC(=O)C(C)(C)n1ccc(NC(=O)OC(C)(C)C)n1)C(=O)OC 1626207601 AZPQYHXLDYDEMO-CYBMUJFWSA-N 410.471 1.826 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(NCc3ccccn3)c2)CC1 1627014698 ARTZCKARSWTARS-UHFFFAOYSA-N 405.502 1.591 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CC(=O)N(CCC)C2)n1 1627670613 WSPSRZMRVJUYGP-LLVKDONJSA-N 406.537 1.997 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)CC1 1631232427 WGPQGDFSHKOFAR-IAGOWNOFSA-N 402.426 1.320 30 10 HDEE CNC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOCC1 1634920648 KMUANEMIZPBZAX-RDYUPDBUSA-N 420.510 1.185 30 10 HDEE CC[C@](NC(=O)Cn1cc(C#N)c(O)nc1=O)(C(=O)OC)c1ccc(Cl)cc1 1635211444 BTYGWNWIRLCBGD-GOSISDBHSA-N 404.810 1.069 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)n(-c3ccccc3)n2C)cc1 1635387049 FLCMBHMEKXQZBO-UHFFFAOYSA-N 424.482 1.018 30 10 HDEE COC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1636236923 AFJKGNOAHNZXFC-OAHLLOKOSA-N 422.356 1.691 30 10 HDEE CC(C)S(=O)(=O)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1637163378 SQTMZTJFKPKOGI-XAUUPUKJSA-N 413.540 1.713 30 10 HDEE CN(C)c1noc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1639173818 KQBRXMQVHGMGQG-MLZJXEJWSA-N 404.471 1.539 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H](CO)Cc3cccnc3)CC2=O)cc1Cl 1640158899 IFSRSNAKHHDRCO-RDJZCZTQSA-N 412.877 1.927 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)C1=O 1643676001 SJXUAUFTZKFXLZ-VFNWGFHPSA-N 412.446 1.268 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 1643878232 QKGAPWDXESRIBP-VLIAUNLRSA-N 400.410 1.444 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCCn4nc(C(=O)OC)cc43)cc2C1=O 1646541792 YUQZPAFUGKTIKN-OAHLLOKOSA-N 408.414 1.717 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C 1649011091 DIUVZJZONLABQX-OLZOCXBDSA-N 403.435 1.827 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@H](Cn3ccnn3)C2)ccc1Cl 1654291515 VOCYYGSQDVHUAP-KRWDZBQOSA-N 402.886 1.888 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1654929379 UDZOMFBUJXFTBV-UHFFFAOYSA-N 403.508 1.169 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 1655103252 QWPFLYVGRLRAPJ-UHFFFAOYSA-N 400.884 1.507 30 10 HDEE N#Cc1cccc(NC(=O)CN2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1655891698 XSJFSVDVZLMTHV-CJNGLKHVSA-N 401.410 1.938 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2ccn(CC(=O)OCC)n2)cc1 1665969893 SPPRQCDHOZXOES-UHFFFAOYSA-N 421.479 1.897 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 1671756267 MZAQQXXHLHKLQD-UHFFFAOYSA-N 401.532 1.704 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1682984757 WCPRCLVHZLRLSF-CABCVRRESA-N 414.325 1.847 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 1684083153 PVLPLWUUBHSDJM-SJORKVTESA-N 419.323 1.729 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CCCS(C)(=O)=O 1690025217 IXOMYPKFCSMJIP-UHFFFAOYSA-N 409.515 1.789 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1690060731 GPUNIMFPTUDWIC-OAQYLSRUSA-N 412.494 1.791 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1690077372 NGJLFOUVTBVBSC-FGTMMUONSA-N 423.583 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(F)c1 1690092724 SQMMOMSZVXHXMV-UHFFFAOYSA-N 415.469 1.796 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCSC)CC1 1690113909 XRFAVRAPXWDAAR-FQEVSTJZSA-N 407.584 1.827 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1690343808 DUYILJROXLZCKI-KBPBESRZSA-N 403.936 1.300 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690671258 SFTYSKRISSCKEX-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1693745156 GXBFEZZOPGWRPM-MRXNPFEDSA-N 424.505 1.415 30 10 HDEE CC/C=C/Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1694990595 SGFFYKXCCYGQFN-HMRWBYCRSA-N 407.544 1.031 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697143864 IFOVDCLRXZOWHS-WMLDXEAASA-N 414.514 1.405 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NCC(F)(F)F 1705475212 KDRQDBXNBOPFJN-LLVKDONJSA-N 402.421 1.333 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1705530608 ZRONILKELYAAGI-UHFFFAOYSA-N 402.524 1.614 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705563983 IVWZWYDLDLCKGP-RXVVDRJESA-N 414.531 1.733 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCOC[C@H]1C 1705625005 SWUAIOGRPZXHKH-GOSISDBHSA-N 408.506 1.623 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705660275 RAAAYPVMJBHGCU-HNNXBMFYSA-N 414.539 1.444 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705734080 CFJIPCOEUGUATP-INIZCTEOSA-N 408.528 1.285 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1705836851 ICEKKDMYUGCSNK-LJQANCHMSA-N 408.524 1.758 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1705874555 PZDWRKBRGDVDFC-QGZVFWFLSA-N 417.535 1.851 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1706058947 RYNGMFXPQFVJQX-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1706076204 ZFNKXMKNSBXIOP-FRRDWIJNSA-N 403.455 1.200 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CCc2ccc(S(N)(=O)=O)cc2)CCO1 1712883827 ACZCEMMFTHHDTO-INIZCTEOSA-N 416.507 1.164 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1722275721 BDBZYOSPISHCSB-OPAMFIHVSA-N 411.506 1.730 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1722358882 GNAYLMNPGFJYRU-LSDHHAIUSA-N 410.471 1.458 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OC)CCC(C)CC2)CC1 1722429962 VUAXWHLYLPSJNA-UHFFFAOYSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC(=O)NCCC)CC1 1722440646 KTWMYKVGMQBMEH-UHFFFAOYSA-N 410.522 1.447 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCCN1CCOCC1 1722468504 MGWLETZHCJTETA-GHTZIAJQSA-N 405.543 1.717 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1728142068 YLVVQFLHIKKFSD-OTWHNJEPSA-N 420.558 1.995 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740622360 XZSHOOISGUPIRI-QZTJIDSGSA-N 417.535 1.638 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740637413 ARVLJAWLOZZVDP-YADHBBJMSA-N 419.529 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(O)c1 1740644535 KHYHJXRHCIBRQD-UHFFFAOYSA-N 407.474 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740653192 CYOZQXLFKXEIHR-UHFFFAOYSA-N 411.531 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(CC)cc2)CC1 1740694160 AQQJRFZDKIKNNS-FQEVSTJZSA-N 406.534 1.790 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1740721279 DNZCBLXGRJIWLC-UHFFFAOYSA-N 424.530 1.764 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1740940330 BLLTVBOLIBRQOH-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1741124239 DOXIDIXXIPGGAH-NSHDSACASA-N 408.304 1.730 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1741306784 VLPSQZRHMCSRFY-OAQYLSRUSA-N 420.477 1.677 30 10 HDEE CC(C)N1CCC[C@H](Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1741623478 HBIVEUVTXYVNSR-BBWFWOEESA-N 401.515 1.078 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CC=CCC1 1741920905 IPZMCUNUBSGORU-INIZCTEOSA-N 421.571 1.280 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1743782991 LCOFYALSMRLYCK-DLBZAZTESA-N 407.515 1.733 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccco1 1744645952 JYLHDFCKMSZVAP-UHFFFAOYSA-N 407.434 1.398 30 10 HDEE CCN1CCCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1746422466 BHFPNEOUBFMINY-GOSISDBHSA-N 423.521 1.539 30 10 HDEE CN(C[C@H]1CCCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1747837749 FDQLZMATKYFEPF-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(N3CCOCC3)CC2)c1 1748694310 DQVVCMHLYPCHEX-UHFFFAOYSA-N 422.533 1.762 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748817938 SYVUTSGNEKUCOF-LQWHRVPQSA-N 421.611 1.978 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1748907087 MWNSFEYCPRMXBP-SFHVURJKSA-N 402.543 1.211 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1748989170 HJAPECQHNVZXNL-HTAPYJJXSA-N 413.497 1.584 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCCC2=O)CC1 1748992945 KYEAMMCCHIMLCO-UHFFFAOYSA-N 406.534 1.766 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749049893 REESURYBFWETDO-MRXNPFEDSA-N 415.523 1.083 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1749635275 XTXCAOBYMADSKP-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C)cc2)CC1 1749663432 FDLUNZMEMZRKJD-UHFFFAOYSA-N 420.521 1.616 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1749942474 OPVJBZFPFACTMQ-SJORKVTESA-N 406.531 1.463 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1750340977 SLGOQIPVIGDNSX-ATZDWAIDSA-N 408.462 1.883 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1751170826 FCPHPXDNCIGSDV-VLIAUNLRSA-N 417.535 1.847 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1751193411 BBNGDEMIRFNDSC-NWDGAFQWSA-N 414.923 1.177 30 10 HDEE CC1(C)SCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1751301121 GTOHXVHYDRREQI-HUUCEWRRSA-N 404.540 1.661 30 10 HDEE Cc1cc(CN(C)c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)no1 1751418016 CAKITGWLIPNWJQ-MRXNPFEDSA-N 421.461 1.940 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCSC2(C)C)CC1 1760252787 VPQMLXAYMAJPGV-KRWDZBQOSA-N 416.595 1.801 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(C)(C)C(=O)NC)CC1 1760255742 HQFGMMGMHJBCAL-UHFFFAOYSA-N 415.929 1.521 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1760286285 GZPLWODEXDIODR-OXJNMPFZSA-N 421.567 1.259 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1 1760335162 LTUZWZJUGJQNKC-HKUYNNGSSA-N 411.510 1.775 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760346303 RIUXNCGKIXSZMR-CYBMUJFWSA-N 414.491 1.291 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760391022 YDHQUHOYRXGPCF-GOSISDBHSA-N 423.564 1.340 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccsc2)CC1 1760529509 ANYQSIBCVGXDPM-QGZVFWFLSA-N 416.551 1.816 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(C(N)=O)CCCC2)C1 1760534416 XYTXBWKPTBFHGD-MRXNPFEDSA-N 416.526 1.341 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1848667882 UGGTZZGEUOVSAA-HNNXBMFYSA-N 416.478 1.713 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1cn(C[C@@H]2CCOC2)nn1)c1ccc(F)cc1 1852103956 CJKRCIGKUHOXLY-ZDUSSCGKSA-N 404.471 1.975 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3cc4n(n3)CCC[C@H]4N3CCOCC3)CO2)nc1 1852607582 VBZVEGLAMBQMHU-SJLPKXTDSA-N 424.461 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)C1 1853680282 CVIQTWBNSCKFNA-IRXDYDNUSA-N 420.510 1.375 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCC[C@H]3Cn3ccnn3)C2=O)cc1 1853752479 VXRIJYGQIAYPIR-VQTJNVASSA-N 406.490 1.765 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1853759054 QKCFWQQANNURAB-QFBILLFUSA-N 412.465 1.932 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cncn3)C2)CC1 1853774210 VSYBXPKXYNSORX-SFHVURJKSA-N 406.490 1.601 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cn(C)nc2C(F)F)C1=O 1853828463 MNYAMJBRDOEJPQ-ZIAGYGMSSA-N 409.437 1.208 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1=O 1853829415 VULGSGVIGJDZLF-IAGOWNOFSA-N 403.454 1.684 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2noc3ccc(C)cc23)C1=O 1854193230 HULYPEAXHPPUNT-QZTJIDSGSA-N 410.474 1.525 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccc(F)cc2)C1=O 1854262051 GCWIGNCWBDFGFQ-MOPGFXCFSA-N 417.481 1.831 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)CC3CCC(=O)CC3)C2=O)C1 1854286710 PFJHLZBCOOOCMW-IBGZPJMESA-N 410.474 1.683 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854487852 NCVOYQAPHDARKV-UHFFFAOYSA-N 405.476 1.211 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCC[C@@H](N2CCN(c3ncc(F)cn3)C(=O)C2)C1=O 1854759562 XRDJJPGRBUGQLB-GOEBONIOSA-N 403.458 1.384 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC[C@@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1854860912 XXEBFDOKHNRMIL-AVRDEDQJSA-N 414.481 1.890 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)CN(C)C(=O)OC(C)(C)C)C(=O)C2)C1 1854949615 IQTOJDGIEWEEKI-DLBZAZTESA-N 421.542 1.291 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855002849 JCWIJXMKLVQXGB-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855279224 XPNLUFWXKIVYCW-MRXNPFEDSA-N 411.911 1.350 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)c2cccn(Cc3ccccc3F)c2=O)C1 1855725150 SKQUQORPLFABKD-INIZCTEOSA-N 410.449 1.870 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccccc1C#N 1855737620 HOZFGSADPQAODR-CZUORRHYSA-N 407.467 1.835 30 10 HDEE COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)ccc2c1 1856112883 KDRLEAKQMQIMEZ-UHFFFAOYSA-N 415.471 1.765 30 10 HDEE Cc1cc(=O)n2cccc(C(=O)N3CCN(CCC#N)C4(CCCCC4)C3=O)c2n1 1856631227 KBHKECZFRYNEKP-UHFFFAOYSA-N 407.474 1.904 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C(=O)C1(C)C 1856769140 WCUGTWBOJVRSPY-MRXNPFEDSA-N 405.520 1.992 30 10 HDEE COc1cccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1856899510 PQSFZRBHCGAGND-KRWDZBQOSA-N 402.428 1.657 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857056614 OHRVLZVRULJLNO-ICSRJNTNSA-N 413.518 1.722 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc3ccccn3n2)C1)[C@H]1CCN(C)C1=O 1857077232 WTPUXUDGRRZBSG-LPHOPBHVSA-N 409.490 1.432 30 10 HDEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(CCC)c1 1861241075 JVICVNCFQFERRH-KRWDZBQOSA-N 406.527 1.709 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)N(C)CCO)=C(N)Oc2c1c(C)nn2CC 1865224538 PAKCEIHDGBYFCB-GOSISDBHSA-N 412.490 1.922 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1CCCN(CC)CC 1870568474 CVJWIBYJMVEFIE-UHFFFAOYSA-N 404.555 1.879 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1C[C@@H](C)C[C@H](C)C1 1870582002 NGSLRFPBYCXAEY-ROUUACIJSA-N 403.523 1.750 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCc3ccc(OC)cc3)CC2)CC1=O 1872917437 BDHGROBHVXYHRZ-LJQANCHMSA-N 413.518 1.627 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/n1c(SC)nnc(C)c1=O 1873495039 KQBIZPZFJUZVGR-UFWORHAWSA-N 417.447 1.836 30 10 HDEE COCC[C@](C)(O)CNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1889419993 AIZKBAUEZMVVPF-DYXWJJEUSA-N 419.547 1.855 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc2=O)cc1 1892326942 QVOMHZBWLGNGDB-UHFFFAOYSA-N 414.469 1.829 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2CC#CBr)CC1 2006180881 CDIIWYHIZFGKBX-AWEZNQCLSA-N 400.317 1.886 30 10 HDEE C#CC[C@H]1COCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2057291454 XLPVNIZPYSALKW-INIZCTEOSA-N 404.488 1.507 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 2118166620 KJOLPKGUIRABNL-ZWKOTPCHSA-N 422.507 1.094 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2132083453 KLXOOQNXUJUXAZ-DYESRHJHSA-N 401.463 1.058 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N[C@@H]1CCC[C@@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174783176 YVOUSLLLFMFUOE-OAGGEKHMSA-N 400.545 1.539 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 2174789104 MNPFDRBDNLQFMQ-HNNXBMFYSA-N 402.561 1.691 30 10 HDEE C#CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 2180113127 NGVBYCPBSGYFAN-ABAIWWIYSA-N 412.430 1.481 30 10 HDEE CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)[C@H](CC#N)C(F)(F)F 2181056049 PBZFZGUDPAFSFK-WDEREUQCSA-N 415.434 1.617 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@@H](C(F)(F)F)C1 2186676177 NMBPDWYNORKSTB-NWDGAFQWSA-N 412.434 1.560 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1ccc(O)c(C(=O)O)c1 2196995393 TVOCNHCGQWXRMR-UHFFFAOYSA-N 400.453 1.840 30 10 HDEE CCCS(=O)(=O)NC1CN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1 2235515723 HRBUDPQTGDDTRE-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCCO1 2243703313 WFBLZLAKFSLEEB-GJZGRUSLSA-N 408.304 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247865155 QCCCVTFEKWFZOP-OLZOCXBDSA-N 422.287 1.601 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247917111 IETZRJICKGBZFY-STQMWFEESA-N 420.319 1.423 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@@H]4C[C@@H]43)cc2Cl)OC1(C)C 2267352157 BNDATWLKCBXHOE-MNOVXSKESA-N 404.750 1.436 30 10 HDEE CN(c1ccc(C#N)cc1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270539305 FDSCLKFCXSOCAP-KRWDZBQOSA-N 417.443 1.704 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3cnc[nH]3)cc2Cl)OC1(C)C 2282304175 HEVILNBBUUACGS-UHFFFAOYSA-N 417.749 1.945 30 10 HDEE COC[C@@H](CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282337975 OEZNAMKBTSREAG-CYBMUJFWSA-N 405.347 1.329 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CCC(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282416220 SGRPIEIOQKZDOF-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2COCC2(F)F)OC1(C)C 2282498722 IKJSKPAICCYXRB-LLVKDONJSA-N 409.285 1.501 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282571666 DHMVSVRWZHBPPY-ZFWWWQNUSA-N 405.304 1.333 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282610820 BXDCBYNXKRFCIY-GHMZBOCLSA-N 402.347 1.336 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@](C)(N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282824497 BQOAXPBRMWMKFS-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CN(CC1(C)COC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834119 PKCXTTVLCMJBMA-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE Cc1cc(S(=O)(=O)NCCCCC(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282836867 QEMBTNNFVRZHIM-UHFFFAOYSA-N 402.347 1.290 30 10 HDEE CC(C)C(=O)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282847910 GKEGTMLNMGMOQN-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3COCCC3(F)F)c2)OC1(C)C 2282865718 XSVJPHIBGWAUBD-NSHDSACASA-N 409.285 1.750 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)N[C@H](C(=O)O)C(C)(C)S 2283407037 OJUZNUOMAJFOME-CYBMUJFWSA-N 408.517 1.212 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccco1 2296592337 OCVDXPMLTXNSPI-MRXNPFEDSA-N 402.359 1.618 30 10 HDEE C[C@@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C(=O)O 2297475479 ZARAXMQQYGOQGM-LLVKDONJSA-N 411.366 2.000 30 10 HDEE COC(=O)CNC(C)=C1C(=O)C=C2Oc3c(C(C)=O)c(O)c(C)c(O)c3[C@@]2(C)C1=O 2297591288 HOOJKJQZLZOKPI-NRFANRHFSA-N 415.398 1.331 30 10 HDEE COc1cc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 2329056085 KLEHFEBXBZPDFV-AWEZNQCLSA-N 419.507 1.683 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)NCCSCCO)cc2)OC1(C)C 2360814331 KEZVQJINPKFTOT-UHFFFAOYSA-N 401.359 1.131 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(F)[C@](C)(N)C3)s2)OC1(C)C 2362006230 YHZCAAADELSDEA-CQSZACIVSA-N 408.301 1.404 30 10 HDEE COCC[C@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365206572 HOBJSLHFEXCNBN-HNAYVOBHSA-N 402.557 1.804 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)[C@@H](N)C#Cc1ccc(C(F)F)nc1 2365824367 QSCBYYMXHVXSRY-JSGCOSHPSA-N 403.451 1.636 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](O)C#CC1(S(C)(=O)=O)CCC1)C1CCOCC1 2367788450 PJXCWGCEJRKQMP-INIZCTEOSA-N 401.525 1.734 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2373187297 SWVUTCIEWSDLEI-KBXCAEBGSA-N 402.513 1.516 30 10 HDEE C=CCN1C(=O)/C(=C\c2c(NCCO)nc3ccc(C)cn3c2=O)SC1=S 33499486 XOGHOUZISAQDDQ-UKTHLTGXSA-N 402.501 1.794 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(CC)cc3)CC2)C(=O)C1=O 64835492 RCOGKXGWWSTDQL-UHFFFAOYSA-N 405.520 1.259 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105617498 IVJVLENNWYRQOC-UHFFFAOYSA-N 424.486 1.108 30 10 HDEE C=CCNC(=O)[C@@H](C)Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253562909 DUPYMEUESNXQQU-YFEDRJBBSA-N 420.411 1.850 30 10 HDEE COc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254867860 MOCAGCLXZQXHKP-KBPBESRZSA-N 412.489 1.157 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 409575760 RYCRLIXYQRTHOM-INIZCTEOSA-N 409.512 1.147 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)NCCSCc1ccccc1C#N 410208693 ZERIXTYWIIUVHW-DOTOQJQBSA-N 410.565 1.809 30 10 HDEE CC[C@@H](CO)N1CCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1 433861146 YIULGRXIFCYDBI-ZDUSSCGKSA-N 402.314 1.398 30 10 HDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NCC2CCC(C#N)CC2)s1 443229509 VGGGPNVDLPNOIB-UHFFFAOYSA-N 419.594 1.838 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(C)CCCN3C(=O)c3ccccc3)CC2)c1C#N 472275286 KRPDAGCXMVPRFF-QHCPKHFHSA-N 420.517 1.944 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)Cc2cc(C)[nH]n2)cc1 491599263 PMUQNWPGRCDXKS-CYBMUJFWSA-N 419.507 1.211 30 10 HDEE C[C@H](O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C1 502677416 FVUVOOMUISNOIL-JLJREYHVSA-N 401.511 1.740 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)nn1CCC#N 504247959 ZKHRUYCVYLTQOL-HRCADAONSA-N 421.523 1.153 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)C4(C#N)CCCCC4)CC3)C2=O)n(C)n1 505846438 SBASGBUNZXKCTF-SFHVURJKSA-N 412.538 1.842 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(Cc4cc(=O)n5ccsc5n4)CC3)n2c1 506147092 HCUDMYUYZPSPLI-UHFFFAOYSA-N 405.487 1.593 30 10 HDEE N#Cc1ccc(OCCNC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)cc1 506257049 CAKDWKGELRMJDW-CQSZACIVSA-N 409.489 1.133 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 508918314 FCPGGAMESPRBHF-OAHLLOKOSA-N 417.539 1.529 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cc1 517476382 IOCHSTPUFQTJPT-UHFFFAOYSA-N 401.444 1.926 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)s3)CC2)ccc1F 525876638 XZGYLFOEHSYZDT-UHFFFAOYSA-N 409.464 1.964 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2COc3ccccc3O2)cc1S(=O)(=O)NCC#N 526980989 GKVGGKHMXITRFR-HNNXBMFYSA-N 401.444 1.367 30 10 HDEE C=CCNC(=O)[C@@H](C)S(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 535592551 BYAKGZAKVUIFAP-GFCCVEGCSA-N 412.489 1.351 30 10 HDEE COC(=O)CN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)Cc1ccc(F)c(F)c1 539239376 VGPSVAOJARVXJP-LJQANCHMSA-N 422.476 1.632 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H](C)n1cnc(C#N)n1 539507520 UDCAPMHWOYYMQS-CYBMUJFWSA-N 402.480 1.331 30 10 HDEE COc1ccc(-n2nnc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2C)cc1 546168751 NWKTUAYXFPPFRD-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(C#N)n2)CC1 546917345 VHOFZVJANMHLKG-SIKLNZKXSA-N 418.545 1.854 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 559028935 GHVPQKVWJRCQOO-LSDHHAIUSA-N 418.502 1.110 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@H]1C 571485772 UINSEYJMDMTNRZ-MCIONIFRSA-N 401.558 1.127 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2ncc(I)s2)CC1 589158185 VEHOILGQQFUUQS-UHFFFAOYSA-N 406.293 1.168 30 10 HDEE CCn1nc2c(cc1=O)CN([C@H](C)C(=O)N(CCC#N)c1ccccc1OC)CC2 610283605 IORCMANEXYVRBR-MRXNPFEDSA-N 409.490 1.965 30 10 HDEE C=CCOCCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 679515656 CZYHTUOKKIZZQY-OAHLLOKOSA-N 417.325 1.921 30 10 HDEE O[C@@H]1CN(c2cc(C(F)(F)F)nc(N3C[C@H](O)CC(F)(F)C3)n2)CC(F)(F)C1 682475862 DPBCHPMTOXNAOB-DTWKUNHWSA-N 418.313 1.908 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(C#CCO)cc1F 703969961 ONTUKYVPIMDVKO-UHFFFAOYSA-N 402.403 1.207 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NS(=O)(=O)c2ccc(C#N)s2)C1 711779417 NIKGOLKSQAZCKN-INIZCTEOSA-N 401.510 1.660 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2S1(=O)=O 732651176 YOUFLLXGYTTZDV-OAHLLOKOSA-N 402.476 1.052 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CCN1C1CC1 732706638 LZXIRAYKHKSVCI-ZDUSSCGKSA-N 414.359 1.904 30 10 HDEE C#CCOc1ccccc1CNC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 734133919 DFLLKVRGXYMLQS-UHFFFAOYSA-N 417.443 1.592 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 740785382 GBQLPTNBUGYCJW-HNNXBMFYSA-N 407.492 1.066 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 742665313 MPBIZTITXLQQPU-HOTGVXAUSA-N 405.524 1.178 30 10 HDEE COc1ccc(CNC(=O)C[C@@H](C)NS(=O)(=O)c2cccnc2Cl)cc1C#N 747446808 IKEGNIDXEQZIIW-GFCCVEGCSA-N 422.894 1.989 30 10 HDEE Cc1c(C(=O)NC2CCN(c3ccccc3C#N)CC2)cnn1-c1ccc(O)nn1 750045217 HHZFSSHYGSLIRY-UHFFFAOYSA-N 403.446 1.947 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(Br)c1O 765497620 HWKBCNCEURAVIJ-FYWRMAATSA-N 409.240 1.480 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(OC[C@@H]3CCOC3)c(F)c2)CCN1C1CC1 767774081 KAXYCILRTMRULN-ZBFHGGJFSA-N 409.483 1.602 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 773968760 HHOZQWZJRNDKEC-GOEBONIOSA-N 422.507 1.475 30 10 HDEE Cc1nc(CN2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CC2)n[nH]1 775986313 CHMOYMRUPYNCQE-INIZCTEOSA-N 402.462 1.468 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 778329142 FHWFREQAXXFINU-IAGOWNOFSA-N 408.543 1.468 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)cc1 780204714 IBJVDZMWRBMXQW-MJGOQNOKSA-N 420.487 1.093 30 10 HDEE CC1(C#N)CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 780778591 BHITUGJOJLPGMU-UHFFFAOYSA-N 400.504 2.000 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780894743 KWIULQQAQQPBPZ-SFHVURJKSA-N 402.495 1.651 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780983070 KPGBWIADDQYGQQ-QFIPXVFZSA-N 422.485 1.773 30 10 HDEE Cc1c(O)cc(O)c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1O 782221720 NTBJVMUIHWBRCO-UHFFFAOYSA-N 420.491 1.494 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)Nc1sc(C(N)=O)c(C)c1C(=O)OCC 785308687 FMNKYJZNKIDDAP-BXUZGUMPSA-N 424.475 1.795 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC([C@@H]3CCOC3)C2)c1 791766640 BPLNXYMKNOSVSN-WVCJAJDESA-N 406.508 2.000 30 10 HDEE C[C@H](C(=O)OCC(=O)NCCOc1cccc(C(F)(F)F)c1)n1cnc(C#N)n1 798745624 UOADVOIEEROIJX-LLVKDONJSA-N 411.340 1.468 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc1F 802342646 LEBQAXJNPBGPCQ-JKSUJKDBSA-N 401.442 1.709 30 10 HDEE C#CCN(C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1)[C@@H]1CCS(=O)(=O)C1 802358738 GSNIRVQBHVGOCI-IAGOWNOFSA-N 419.503 1.329 30 10 HDEE CC(=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1)c1cn2c(n1)CCCC2 807973474 QVLHMWRLQITRGJ-UHFFFAOYSA-N 417.539 1.387 30 10 HDEE COCC#CCOC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 811364898 UDBFKUGRUBZREH-YRYYUTHUSA-N 405.450 1.659 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812028729 NUWJAELDNRINJS-OAHLLOKOSA-N 404.492 1.609 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 812265026 ZTQZUPWOSVTAAI-IAGOWNOFSA-N 418.519 1.961 30 10 HDEE C#CCNS(=O)(=O)c1ccc(-c2nc(-c3c4n(c(C)cc3=O)CCC4)no2)cc1 813341712 NNJHVKOSDHEQFP-UHFFFAOYSA-N 410.455 1.731 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 913338645 GZCDZULUQKSVHW-UHFFFAOYSA-N 417.365 1.793 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)cc1 916178632 GXLAKTDWHVOSFD-HLLBOEOZSA-N 422.532 1.230 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cn1 1125480485 NCFDWAZTIGXYFF-HXUWFJFHSA-N 404.518 1.952 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cs1)C(N)=O 1129494130 QDDBGMGBYKCVFP-CQSZACIVSA-N 415.500 1.899 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1133409714 ZNKDWZQKFUGZJE-ZWKOTPCHSA-N 401.463 1.940 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCc1nnc2c(=O)n(C)ccn12 1133626322 GUKSSANBMLIWNE-UHFFFAOYSA-N 421.379 1.984 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOC3CCOCC3)C2=O)cc1 1134006772 JVRAHACLHFZNNH-QGZVFWFLSA-N 400.435 1.075 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3nc4c(cc3C#N)C[C@@H](C)CC4)CC2=O)cn1 1135108486 LEDJIMWTGVJUFK-YOEHRIQHSA-N 422.489 1.913 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1135982145 FHLKEOZSWUKKML-NJAFHUGGSA-N 402.495 1.670 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N(CCC#N)CCN1CCOCC1 1136458037 OQYHCJNIOLJCFL-UHFFFAOYSA-N 417.251 1.011 30 10 HDEE CC(C)(C)OC(=O)N(C1CC1)C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCC1 1136671437 IFYBQPIHCUJIPH-MSUUIHNZSA-N 418.494 1.951 30 10 HDEE C=C[C@H](COC)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1138582750 KQPOTIDIBHXMOD-ZIAGYGMSSA-N 402.538 1.605 30 10 HDEE COC(=O)c1c(F)ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1C 1141794993 GDHDNKUZXALPTF-UHFFFAOYSA-N 405.407 1.709 30 10 HDEE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C2 1142000675 GQLGUQLOYLUQFO-VNQPRFMTSA-N 405.476 1.211 30 10 HDEE CN1CCN(c2ccncc2NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1142041389 RJZWZZZTMNQIMS-UHFFFAOYSA-N 417.466 1.522 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 1144923536 QKVCFIVLIHFKIW-SOLBZPMBSA-N 422.547 1.866 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C(C)=C/c2ccc(OC(F)(F)F)cc2)CC1 1157008711 BMFHCYKDSQLKPN-FYWRMAATSA-N 409.408 1.882 30 10 HDEE CO[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1Br 1159490124 LNHBNUPBGUCPQO-CQSZACIVSA-N 419.235 1.354 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)c(C)n(CCO)c2=O)c(C)n1CCC(C)C 1166714710 WOMYBNPMMBKZCG-UHFFFAOYSA-N 400.479 1.530 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)[C@H](CO)NC(=O)Cc2ccc(F)cc2)CC1 1168612078 CLMYJBRATWUGKL-NRFANRHFSA-N 424.476 1.820 30 10 HDEE Cc1ccc(OCc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)cn1 1180988245 COVALSVEMFVZQS-UHFFFAOYSA-N 417.425 1.800 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@@H](CNS(C)(=O)=O)C1 1197574733 WAGADFHKPPHWID-CVEARBPZSA-N 408.524 1.201 30 10 HDEE CC(C)(C)N1CC[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1=O 1230375898 RKFMAYVUSUGMIA-GOSISDBHSA-N 423.521 1.957 30 10 HDEE C#C[C@H](CCC)NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1230499315 UKWWJDSAVQODFJ-QGZVFWFLSA-N 421.542 1.788 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCC(=O)NCCN1CCCCCC1 1274426743 FLJBBOCRMUHPTN-UHFFFAOYSA-N 421.339 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCn1cc(CO)nn1 1286294388 AGRWFZOBZJMZHQ-INIZCTEOSA-N 409.494 1.510 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCOC(C)C)c1 1286308787 DDZIJYHEVQLYQL-GOSISDBHSA-N 424.505 1.710 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCC#C)CC1 1286337281 ZDDNICRUOKFOBC-UHFFFAOYSA-N 410.522 1.170 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1286379885 DJXAKLNFGBCMTP-INIZCTEOSA-N 419.551 1.331 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286466144 WRHTWOIKYKKPCP-DYESRHJHSA-N 401.511 1.617 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCCCS2(=O)=O)CC1 1286477401 ZRHORZNMSKKMGA-KRWDZBQOSA-N 416.551 1.006 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC(C)CC2)CC1 1286479685 IZFMNBJWXXUDMC-FQEVSTJZSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286506246 HFHBMDURXZNUOT-HZPDHXFCSA-N 412.581 1.900 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCN(C)C1 1286715616 NFBJVWPKUJETMZ-HXUWFJFHSA-N 418.929 1.550 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1286774197 BTPBUCNSHHMXHA-INIZCTEOSA-N 400.458 1.890 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC1CCOCC1 1293004604 QJJDAJKEEYUNAP-UHFFFAOYSA-N 412.494 1.961 30 10 HDEE C=CC[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OCC 1296236419 JRRATIUJCLWTOH-INIZCTEOSA-N 401.419 1.119 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@H]1O 1299417526 OBXLOFXIBVKWAL-CKEIUWERSA-N 415.450 1.045 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H]3CCN(Cc4ccccc4)[C@H]3C2)c1 1299673999 DPTSUARGHXBATK-IRLDBZIGSA-N 423.538 1.945 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@H](CO)Cc2cccc(F)c21 1300169153 ZYSHQVZPLXNQIU-GFCCVEGCSA-N 403.435 1.062 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC[C@H](C)C1 1300430044 GEOWGNVGYPGCBP-IRXDYDNUSA-N 410.588 1.470 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1300488347 RAPFRJWJPLDJBN-MRXNPFEDSA-N 413.507 1.187 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1300531707 FWOYDOSRTAJROG-FQEVSTJZSA-N 418.501 1.187 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC1 1300578787 PCYAJNASRAPUFV-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1([S@@](C)=O)CCC1 1300673781 YXQRNOSOIMVSLZ-MUUNZHRXSA-N 401.536 1.651 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](COC)OC)CC1 1300703685 PNXSOOMCMNSDHO-QGZVFWFLSA-N 404.540 1.050 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1300949364 VBBJHHWNBNJRHQ-KRWDZBQOSA-N 412.469 1.907 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1301510399 WRQPYMSMIUBOSX-SJLPKXTDSA-N 424.505 1.183 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C)(COC)CC2)nnc1[C@@]1(OCC)CCOC1 1301519105 MMVVBHPLDFRWJX-OAQYLSRUSA-N 421.542 1.485 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCN(C(C)C)C1 1302099274 UECPQCXXNPUUPL-CEXWTWQISA-N 420.558 1.851 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 1302924638 QANKBWYPGSQHGU-UHFFFAOYSA-N 413.503 1.170 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCOCCCO 1302950291 SQNJNYMDTCGJCO-UHFFFAOYSA-N 413.526 1.469 30 10 HDEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)C1O 1307918712 JMLWAGKIVJGHGF-HUUCEWRRSA-N 413.478 1.404 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1309775250 BPRUOXBQSPXLKN-UHFFFAOYSA-N 406.508 1.631 30 10 HDEE CNC(=O)NC[C@H]1CCCCN1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1312480502 KSXPTVRXTTUJPW-GOSISDBHSA-N 409.494 1.952 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cnnn1C 1316163007 YAYYDQNUWGYZBV-HNNXBMFYSA-N 410.482 1.687 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 1323715367 MCDLCULXJOCVNR-UWJYYQICSA-N 414.462 1.645 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1358875345 NZGIMNDZTWEUDE-IERDGZPVSA-N 403.527 1.647 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1358901036 YLGGGPIKIUTOPW-NXOAAHMSSA-N 410.540 1.427 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1cccs1)N1CCOCC1 1358945495 JALKGCIEKJVELT-QGZVFWFLSA-N 411.535 1.883 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCCC1 1358974588 KVXZIZHAPQFSML-UHFFFAOYSA-N 419.485 1.835 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1359011020 IGYVFVFIXOAHKE-UHFFFAOYSA-N 424.549 1.501 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCO[C@H](C)C2)CC1 1359034001 YXBFIQJICAXIOC-HXUWFJFHSA-N 423.565 1.596 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1359043965 PFGTUHXLSPRCGQ-KSFYIVLOSA-N 410.522 1.790 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1359054600 APTVLLDKYITJTC-INIZCTEOSA-N 422.580 1.449 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1359111947 SXSGXSBQSMHRNO-ZWKOTPCHSA-N 403.575 1.658 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1359136157 BBKVRPBYIXSXOZ-UHFFFAOYSA-N 424.498 1.824 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359226779 MJZXAUAXSHBNBH-MSOLQXFVSA-N 418.542 1.123 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1359281996 OQRMBZDYSVVGOB-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359345947 VWMCKEWALNONBM-IBGZPJMESA-N 404.540 1.036 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)c1cccc(CN2C(=O)CNC2=O)c1 1436417412 ZACNRZGIJDRCJA-UHFFFAOYSA-N 415.413 1.752 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1451214044 BBRGJFLWAJYREI-SQVRQVGWSA-N 407.536 1.805 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1451224300 ADYFEVZKOOGWSO-KBXCAEBGSA-N 408.524 1.397 30 10 HDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@@](O)(CC#N)C1)C2=O 1452252261 UATGGHDZDCXWCR-YFYMUDDPSA-N 404.511 1.780 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)n1 1456472999 DWDPCFFDOBPMMO-UHFFFAOYSA-N 404.395 1.628 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1456474110 HECCYHGCAAVDFL-DJIMGWMZSA-N 423.560 1.688 30 10 HDEE Cc1c(C(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cnn1CCC#N 1463457588 YWGNTLPSBRXJEK-WFASDCNBSA-N 404.414 1.687 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1 1463720193 JEGNKKRAFPCKRS-UHFFFAOYSA-N 407.474 1.981 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccccc1OC(F)(F)F)c1cc[nH]n1 1463832254 LRRFJVQTUNXEBX-UHFFFAOYSA-N 414.340 1.909 30 10 HDEE C=CC(=O)Nc1cc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)ccc1F 1465684622 VXNTVTQCFXNMKN-UHFFFAOYSA-N 402.407 1.739 30 10 HDEE CN1CCN([C@H]2CC[C@@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1467344828 QQRFLWJZFYUQOB-IYBDPMFKSA-N 422.526 1.411 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N=C2N=CNN23)cc1F 1467382649 MEILYRZVADQHFM-UHFFFAOYSA-N 416.369 1.178 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)cc1 1468258976 WRVFMIPLMLWKEN-HNNXBMFYSA-N 415.475 1.588 30 10 HDEE C#CCC1(NC(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)CCC1 1468647267 NHRZWAFUHZTXHP-UHFFFAOYSA-N 406.288 1.156 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1(C)CCC2(CC1)OCCO2 1471498491 FYFDFNOYJKHKCP-INIZCTEOSA-N 414.510 1.892 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccn1 1472192230 VOSOBFSQIYSLKD-IFXJQAMLSA-N 420.491 1.117 30 10 HDEE Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371516 SOVMJINZUGIFHI-UHFFFAOYSA-N 416.747 1.081 30 10 HDEE Cc1sc(NC(=O)CN2CCN(C[C@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1473718040 CSNRPKLEYJJMLX-OAHLLOKOSA-N 410.565 1.370 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(CC1)C[C@H](O)CNC2=O 1473852254 PWTUBBOCAZXEGJ-OLZOCXBDSA-N 402.520 1.398 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1492985020 BZAMWFPLFMLKON-DOMZBBRYSA-N 401.471 1.554 30 10 HDEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1503492825 CEJVSJVYHWECPV-UHFFFAOYSA-N 414.491 1.985 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCOCC(F)F)CCN1C1CC1 1505322622 RPMHGYZOBHIHNI-MRXNPFEDSA-N 403.437 1.798 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC(C)(C)N2CCOCC2)c1 1507548136 PFCKTRGUVBPNHQ-UHFFFAOYSA-N 410.522 1.754 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1507636182 ZXLLQVUZKDOXJI-KZNAEPCWSA-N 406.552 1.408 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNC(=O)c2cccc(C)c2)CC1 1507737140 YNNHNXQEDILFDR-UHFFFAOYSA-N 408.506 1.291 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)CN2CCOCC2)CC1 1507906452 IVCNHNVSHUDYOE-AEFFLSMTSA-N 402.543 1.600 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1509952244 IQBHNBJOPWPUMF-JKSUJKDBSA-N 409.498 1.818 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1 1510147205 AJMGDMYYKRMXGX-UONOGXRCSA-N 406.512 1.575 30 10 HDEE CN1CCn2nc(C(=O)N(Cc3ccccc3)c3ccc(C#N)cn3)cc2S1(=O)=O 1525829211 POEBMXFXNVYJIY-UHFFFAOYSA-N 422.470 1.631 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)COc3cccc(Br)c3C#N)C2)cn1 1532182620 GWSSHNAQFXDHTN-GFCCVEGCSA-N 404.268 1.828 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](C#N)c1ccccc1Br 1533244018 VTBGMALYWQEMKN-CABCVRRESA-N 407.268 1.257 30 10 HDEE COc1cccnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536347262 DMVOUEZSTXCSQH-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539087472 VAJVIFHBLJRSDK-UHFFFAOYSA-N 416.570 1.753 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1539382458 JQSOTFJURPGGNF-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3cn(-c4ccccc4)nn3)C2=O)cc1 1540216974 NQKHOPGUHAILOI-KRWDZBQOSA-N 415.413 1.983 30 10 HDEE CCNC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1540479091 WZSWPWVYXIDHNI-ZGOJQLDESA-N 419.526 1.647 30 10 HDEE COc1ccc([C@@H](CNC(=O)[C@@]2(C#N)CCCOC2)N2CCOCC2)cc1OC 1540676964 RGXUVPIYWZTKMG-DYESRHJHSA-N 403.479 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1540868645 MIRGTLILMUVHHF-KRWDZBQOSA-N 411.510 1.383 30 10 HDEE CC[C@H](C)[C@H](NC(=O)C(=O)/C=C/c1ccc(F)cc1)C(=O)NCCN1CCOCC1 1542881322 FHAKIMRQFXQRJP-VKBBPXLRSA-N 419.497 1.387 30 10 HDEE Cn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(N)=O 1548369306 XJPMXDSXOZKCMZ-HNNXBMFYSA-N 406.368 1.127 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)COCCO1 1554150280 WZOLSXLNHLZEBK-QFIPXVFZSA-N 424.505 1.828 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1555736737 AIGDGNLHKLZPJH-VERUCKTNSA-N 405.499 1.282 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1555985248 LMKJGMGTNWFNBR-CXAGYDPISA-N 424.889 1.719 30 10 HDEE C#CCN(CC(=O)NCc1cccc(S(=O)(=O)NC(C)C)c1)C(=O)OC(C)(C)C 1556957794 PCCYQYFDIASDSX-UHFFFAOYSA-N 423.535 1.860 30 10 HDEE C[S@](=O)C1(C(=O)N2CCN(CCC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1557982129 YBBNBTDKAZMXGZ-NDEPHWFRSA-N 412.556 1.192 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(NN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 1557989639 ZVBYVOLQJWILOG-IRXDYDNUSA-N 410.430 1.494 30 10 HDEE Cn1nnn(CC(=O)N=C2c3ccccc3CN2c2cccc(C(F)(F)F)c2)c1=O 1559441285 FBFMZYFRTNNRTL-UHFFFAOYSA-N 416.363 1.989 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCc4cc(F)c(F)c(F)c43)C2)c(=O)nc1O 1564761340 VDWBDAZIEKZACV-GFCCVEGCSA-N 405.336 1.492 30 10 HDEE N#CCN1CCC(CNC(=O)c2cc(Br)ccc2-n2cnnn2)CC1 1565738463 XXPIPWAHESMDMU-UHFFFAOYSA-N 404.272 1.390 30 10 HDEE C=CCN(CCC#N)C(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1569599809 MCHZAFHHCXTZLY-HKUYNNGSSA-N 405.520 1.862 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1583905898 AQLLPVPDBZFZHV-UHFFFAOYSA-N 413.428 1.900 30 10 HDEE Cn1nc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1C(F)(F)F 1585265038 LWQJGHHTSBMWRM-UHFFFAOYSA-N 401.370 1.883 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1588646132 GXMFGEYLLWGMOU-RBUKOAKNSA-N 405.543 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1scnc1C 1588673656 WGRKWTWEAQFMSR-UHFFFAOYSA-N 402.524 1.494 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NCCC)CC1 1588857509 OULORCJUQJHKHU-UHFFFAOYSA-N 408.550 1.735 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)cs1 1595405603 TYLUHAMQFPAKDD-HNNXBMFYSA-N 411.553 1.803 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCSCC2)C1 1595723399 VZOOJDOFHVTVHK-HOTGVXAUSA-N 406.556 1.059 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCCN(C(C)C)C1 1608399445 CDIDQWVXZBGIPX-OXJNMPFZSA-N 405.522 1.979 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1615912745 FWEVWIRHXJOONS-KGLIPLIRSA-N 410.544 1.081 30 10 HDEE COc1ccccc1Cc1nnc(N2CCNC(=O)CC2)n1Cc1ccc(C#N)o1 1619422640 BEGWHJZFRXTWKB-UHFFFAOYSA-N 406.446 1.717 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCOC1 1619832749 ADRUBUXVIHCXDL-FQEVSTJZSA-N 401.467 1.353 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1619989169 CVWHLRLSXRMAGW-VBKZILBWSA-N 416.457 1.591 30 10 HDEE N#Cc1cccc(C2(NCC(=O)N3CCN(c4cnccn4)CC3)CCOCC2)c1 1620430349 SPNTUSXBSVLZNZ-UHFFFAOYSA-N 406.490 1.292 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3csc(C)n3)cc2)CC1 1622787926 LLWNOAAMKNFJKU-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CCN1CCCC1)c1ccccc1)c1cc[nH]n1 1628434886 WQNQSGBUNIBPBC-UHFFFAOYSA-N 413.478 1.823 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 1629075597 HYFBQBXFRMWDBP-QGZVFWFLSA-N 413.499 1.615 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@H](CC(F)(F)F)C3)C2=O)cc1 1630093875 FPISJDAXBWRYSI-LSDHHAIUSA-N 424.379 1.943 30 10 HDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1630931371 RDFWLQBTRDSBKO-AWEZNQCLSA-N 405.418 1.789 30 10 HDEE COCCOCCOCCN(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1633029110 DYDAQOKCFDLLEU-UHFFFAOYSA-N 412.527 1.775 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1)C(=O)OC 1634058954 UDWISDSZVZMJOP-SJLPKXTDSA-N 404.463 1.164 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)CC1 1635160221 JIONOTGCUFSGDQ-KURKYZTESA-N 405.564 1.497 30 10 HDEE CC1(C(=O)NC[C@@H](O)CS(C)(=O)=O)CCN(c2ccc(Cl)cc2C#N)CC1 1636477430 LZBBRCZXMDCTSQ-OAHLLOKOSA-N 413.927 1.340 30 10 HDEE C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS1(=O)=O 1638499168 FEAUJFMUGHJYJW-OCCSQVGLSA-N 409.895 1.600 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ncc(Br)cn3)CC2)cn1 1638860726 NBXUMBKDHHKRPF-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCn2ccnc21 1641229400 QJPGZEQIDNBTFM-CABCVRRESA-N 401.492 1.598 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1641574287 JJPYRPOEBMZJDQ-FUHWJXTLSA-N 406.529 1.350 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCCN(CC2CC2)C1 1642367181 GOHKTMLKGFTOLI-YJBOKZPZSA-N 404.536 1.463 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)OCC)c2ccncc2)c1 1642952140 LGZQFKIOOMNNOL-GOSISDBHSA-N 415.471 1.417 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC[C@]2(O)CCCOC2)C1 1644312382 TUPHBJJOGDZRNW-GOSISDBHSA-N 408.296 1.805 30 10 HDEE C#C[C@@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C1CCOCC1 1645985747 DLJVJDLQLZRUQM-HXUWFJFHSA-N 419.547 1.963 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1646204144 NCUJKQPREZMEHL-MRXNPFEDSA-N 424.544 1.994 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)C2)c(=O)nc1O 1648028455 BXCZGICRNCOVQH-UHFFFAOYSA-N 413.743 1.514 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](Cc3nccs3)C2)cc1S(=O)(=O)NCC#N 1653558239 JKTMNTMRUKZIPC-CQSZACIVSA-N 404.517 1.958 30 10 HDEE N#CC1(CNC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CCOCC1 1653634063 GFULSOSPGPDVRA-UHFFFAOYSA-N 416.503 1.284 30 10 HDEE C#CCC1(NCCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)CCOCC1 1654830440 QPTJCZFRGVPHCM-UHFFFAOYSA-N 413.561 1.806 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)CC1 1660672783 WICBJBRCJYOFQE-HLNWXESRSA-N 419.570 1.476 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)Cc2csc(C#N)c2)CC1 1661812928 PEQLVSQBUIZFCP-UHFFFAOYSA-N 418.544 1.908 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2CCC(C(F)(F)F)CC2)CC1 1662385561 NUJSONKNBODFEX-UHFFFAOYSA-N 409.474 1.194 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1681514789 CFKXYEBVLYJLMK-ZWKOTPCHSA-N 412.494 1.451 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1Oc1ccccc1 1681555362 AXIOROYPBRYRQM-FXTJJVCJSA-N 419.503 1.191 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@H](CS(C)(=O)=O)C1)c1ccc(Br)cc1 1683512031 FYBUDEQHESXBQY-LSDHHAIUSA-N 415.309 1.578 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1689849403 LSGJQUYSNPJZKI-PBHICJAKSA-N 410.478 1.213 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689901097 BGAIABQRNNGYFB-QGZVFWFLSA-N 404.540 1.567 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1689934229 NLTLXJDQQCQITE-QGZVFWFLSA-N 402.524 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CC 1690013690 YVPDHOUGXKIHCF-HSZRJFAPSA-N 418.501 1.909 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)C1CCC(NC(C)=O)CC1 1690169641 JKUQTALHKUYUOH-UHFFFAOYSA-N 413.551 1.985 30 10 HDEE C=C(C)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCNS(C)(=O)=O 1690288030 DURYUZNEIVGDQA-INIZCTEOSA-N 407.496 1.352 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1690321821 MFHADMXLNMRCIF-BBWFWOEESA-N 421.498 1.236 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN(CC)S(C)(=O)=O 1690521204 USPQWNFWQLPRNV-UHFFFAOYSA-N 421.523 1.968 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(OC)C1CC1 1690526972 HHMIWIPPCLJBCK-MAUKXSAKSA-N 413.544 1.048 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690655347 PYIVAZWFXPOQSZ-BZSNNMDCSA-N 402.499 1.598 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690666859 IVUIZVWBZJPWRS-INIZCTEOSA-N 409.469 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1690715405 KMGAAAIXAYLVFN-UHFFFAOYSA-N 410.462 1.896 30 10 HDEE Cc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cs1 1693366548 DBIFRWUCMAOHPW-OAHLLOKOSA-N 401.496 1.137 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)O1 1694425838 DKWZSHYIDOUSJZ-LUXYFRNMSA-N 412.560 1.974 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2nnc(C)s2)CCOC1 1696050454 BCNVHEQVYSLDHE-MSOLQXFVSA-N 421.502 1.775 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)C[C@H]1O 1697065619 MHWKNUGXEDCKSI-SJLPKXTDSA-N 422.445 1.522 30 10 HDEE COCC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1697961368 FUOWCNRMNHROKW-ZWKOTPCHSA-N 424.505 1.870 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1705520173 KSUUHULKMCLIDT-JOCHJYFZSA-N 415.538 1.978 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1705562981 OAUFKSIDYLFOFE-RXAIFQJESA-N 424.548 1.242 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CCN1CCSCC1 1705630192 JOLZCYXLPVXVFR-UHFFFAOYSA-N 420.608 1.769 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCN2c2cc(NC)ncn2)CC1 1705632884 DHWSLCAMNUMBDN-SFHVURJKSA-N 423.569 1.657 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCS(C)(=O)=O)CC1 1705637216 NQTGZYISICEXDO-UHFFFAOYSA-N 417.535 1.144 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H](O)C2)C1 1705924070 AEENHTAQWDSOJN-ZJPYXAASSA-N 424.567 1.513 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)C1 1706935422 QXVIDBPDVYNUET-VQIMIIECSA-N 422.555 1.338 30 10 HDEE CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1709973520 VOEMRAAKWIKCTC-XJKSGUPXSA-N 405.480 1.656 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1711332140 BAWRVBURVIFTLJ-ROUUACIJSA-N 410.478 1.656 30 10 HDEE COC[C@H](F)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1712172836 CKADNMOQWHNOJN-GOEBONIOSA-N 414.489 1.907 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)cc1 1722382326 LILKNUBLHNSCMA-UHFFFAOYSA-N 423.480 1.737 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@](C)(O)CCC)CC1 1722432579 BHEBNQILUHRQLV-LEWJYISDSA-N 405.543 1.237 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722442424 ZZASEFGZGMNKLG-LEWJYISDSA-N 409.534 1.358 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCS(C)(=O)=O 1722618592 SKSBBPNGEDTIIC-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1722638495 CJKLZCOLYOORBZ-UHFFFAOYSA-N 419.493 1.864 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1722669121 NAMAYVGGUZILDT-ZPHPHTNESA-N 406.450 1.440 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722699616 KYGGQEMAQZAIAG-FQEVSTJZSA-N 419.533 1.656 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1722701389 OLRMXMBLDYKEGT-UHFFFAOYSA-N 422.533 1.567 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1723866353 BNCBYGDQCSLQBM-HOTGVXAUSA-N 423.587 1.360 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)C1 1724009785 FUHDQXAKVIWEFC-IPELMVKDSA-N 423.539 1.116 30 10 HDEE CCC(O)(CC)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1727290782 AYSURUWFVCYEHJ-WMZOPIPTSA-N 402.543 1.900 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1729304265 CXPZBLDBPHEJOL-SJORKVTESA-N 407.478 1.010 30 10 HDEE COCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730704154 ZFQRDWBPHAYJMS-INIZCTEOSA-N 414.514 1.059 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1730876203 NDYCJQMHCTULKJ-MSOLQXFVSA-N 420.558 1.853 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CC2(O)CCOCC2)CCO1 1731188575 IBDHBKUBXYYMDD-AWEZNQCLSA-N 419.432 1.417 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(OC)cc2C1 1740580760 HOHJVMZYGUPJGL-OAHLLOKOSA-N 417.535 1.873 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1740610084 RRUAQBFSOPGDAW-LIRRHRJNSA-N 406.483 1.296 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1CC 1740610572 FYXTWJPKUITOAP-SFHVURJKSA-N 417.535 1.291 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCN(C)C1 1740658923 RKTLOKHCDLBIEP-HSZRJFAPSA-N 407.518 1.695 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1740671296 CZOSAEOWBLUIDX-AWEZNQCLSA-N 423.926 1.767 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC[C@@H]2CCCCO2)CC1 1740703990 FESOWHAZTAWKIT-SFHVURJKSA-N 423.521 1.660 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740825307 LRXUTLUXPHTKFF-QZTJIDSGSA-N 421.567 1.595 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCn2ccnc2C)CC1 1740833682 WBSRJGNMDQVHMK-CQSZACIVSA-N 407.544 1.496 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN(CC(=O)NCC)CC2)cc1 1740967667 MXZXBQOKSVPXBU-UHFFFAOYSA-N 412.538 1.712 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@H]2CCOC2)cn1 1741129124 JWDFHOZCPFDGCP-CVEARBPZSA-N 409.498 1.675 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cc(C)no1 1744770548 DDTIZXMIVPWRJA-SFHVURJKSA-N 421.461 1.788 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)C(C)(C)C 1748038923 ADZOBMHBBVVISK-AWEZNQCLSA-N 406.512 1.226 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1748271549 MVZZMRSJUNOQCR-DLBZAZTESA-N 407.478 1.010 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)OC)CC1 1748719417 XKCOJUDGZDKGOE-INIZCTEOSA-N 408.524 1.373 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1748825442 WXEKOKHGHBQTSL-UHFFFAOYSA-N 412.538 1.134 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@@H]1C 1748836242 SDDFSSBDVHUOGR-OPAMFIHVSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccn(CC)c1=O 1748900496 DWETUXFVIKWSLJ-UHFFFAOYSA-N 406.490 1.093 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCCN2CC)CC1 1748990969 NOXNPRMPDDGNGZ-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2conc2COC)CC1 1748993309 UWBCIRZOKICAAJ-UHFFFAOYSA-N 424.480 1.946 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1749001118 IXFWXLCSYURNHT-ZWKOTPCHSA-N 417.554 1.593 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCn2cc(Cl)cn2)CC1 1749014034 CILKGKWJXRMXPR-UHFFFAOYSA-N 417.945 1.993 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1749626119 PWPGRMJGUOBKAM-CQSZACIVSA-N 400.508 1.748 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1749732185 RQBBRAXUHGHCFD-MRXNPFEDSA-N 404.540 1.874 30 10 HDEE COCCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(C#N)o1 1749751769 HQAYTLAWAYHQAI-UHFFFAOYSA-N 415.475 1.944 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1750068861 GMJYSXWONCGMGT-VQHPVUNQSA-N 403.531 1.324 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1751093030 HZWDBNMWCSONTD-HZPDHXFCSA-N 407.482 1.874 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC2CC2)n1 1751844869 GCQXMFVHECKNRU-IBGZPJMESA-N 400.462 1.108 30 10 HDEE C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752248864 SRQFVOPYCDAIGZ-CVTQAYBASA-N 407.478 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1760097326 CVGZJIYIOMOOMX-DCGLDWPTSA-N 411.553 1.315 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC 1760104566 ANTANQCVJKQHEP-CQSZACIVSA-N 406.508 1.855 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(S(C)(=O)=O)CC1 1760148532 CUABVOXEODZTSL-UHFFFAOYSA-N 408.915 1.489 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760187763 FYLXQOCHIXNPKK-JKSUJKDBSA-N 403.508 1.327 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1760248872 RYVVOQNSZCTFIH-FGSXEWAUSA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCn2ccnc21 1760250344 GFRSUFRQRVZECE-LJQANCHMSA-N 422.537 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(O)(C(F)(F)F)CC1 1760521580 XORFDLYUJJOLCG-UHFFFAOYSA-N 424.427 1.844 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCCNS(C)(=O)=O)o1 1761745471 DEEDKQGMAHFOAU-UHFFFAOYSA-N 406.512 1.916 30 10 HDEE CCc1nnc(N2CCC[C@H](n3cc(C)cn3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763042871 LVVSVTKDHPTJNS-JVMRMLDLSA-N 424.509 1.713 30 10 HDEE CCC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1765642590 KWIVUBIJZNWNBC-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE CNC(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)c1 1767643255 AIFGFFLJFAYEDP-OAHLLOKOSA-N 409.494 1.547 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCOC1 1769365819 FVJMEQIXHKDWMV-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1770410938 APQJLBNYZXFYCZ-XJKCOSOUSA-N 400.574 1.770 30 10 HDEE COC[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1770721325 CONCASMQPMPSKL-GJZGRUSLSA-N 420.539 1.679 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(Cc2cc(C)on2)CC1 1772566699 BSPJDNKOVWGXTQ-UHFFFAOYSA-N 413.526 1.857 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCN2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1849428022 HCUWTMQFDSYAHV-VQTJNVASSA-N 417.531 1.827 30 10 HDEE COc1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1C#N 1850159079 GNHSTXPFRGLMSH-NSHDSACASA-N 420.413 1.614 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)c2nccc(N3CCOCC3)n2)CC1 1850163085 YWKLVXGBJGDOLS-UHFFFAOYSA-N 407.478 1.226 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852247402 QVRBPEJEHFGSGH-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)NN1c1ccc(Cl)cn1 1852497277 ONIJISXMQLBYGE-OLZOCXBDSA-N 405.886 1.791 30 10 HDEE CN1CCN(c2ccc(C(=O)N3CCC[C@H](N4CCC(C#N)CC4)C3=O)cc2)C1=O 1853688434 XKYZKJMIZZVHGT-IBGZPJMESA-N 409.490 1.925 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCC2 1853860794 KIADXKUYLGVMIO-UHFFFAOYSA-N 409.439 1.420 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)Cc3nc(C(C)C)no3)CC2=O)CC1=O 1854127498 GXDKLVAMKHGNDC-HUUCEWRRSA-N 403.483 1.034 30 10 HDEE C[C@@H](CCC#N)N1c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C(=O)C[C@H]1C 1854188386 YNDQGFQIGZQHRN-LSDHHAIUSA-N 418.519 1.728 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(CC4CCC4)CC3)ccc21 1854246560 HLDKOHIQTOETGL-UHFFFAOYSA-N 416.503 1.122 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O)[C@@H]1CCOC1 1854459727 JSQFREVHSDLRSE-GOEBONIOSA-N 419.503 1.369 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(S(=O)(=O)CC)c3ccccc32)CC1=O 1854775626 SPPKDJUSROYIJI-CQSZACIVSA-N 405.476 1.141 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cn2cnc(C3CC3)cc2=O)CCN1Cc1ccc(C#N)cc1 1855642760 RMRDXNULKKUQTB-HNNXBMFYSA-N 405.458 1.252 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cn(C)nc1C 1856082328 XRSIIJWIPSPVGX-UHFFFAOYSA-N 402.476 1.655 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)c1 1856954700 XQUTXTWLTMBODE-RTBURBONSA-N 412.490 1.456 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)CC2CC(F)(F)C2)C1=O 1857144323 QNERIEKORTUIEH-HNNXBMFYSA-N 404.421 1.032 30 10 HDEE C[C@@H](Oc1ccccc1F)C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857178140 SWKHMJWKNITWMD-SJORKVTESA-N 402.470 1.642 30 10 HDEE CN1CCN([C@H]2CCCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1=O 1857180246 FYWFPVGGTAFHNQ-KRWDZBQOSA-N 402.882 1.701 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857241866 UMUHDRWLKFEAFO-ZWKOTPCHSA-N 404.511 1.998 30 10 HDEE Cc1cnc(C(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)cn1 1857250218 HWZUBZITIXKFQW-MRXNPFEDSA-N 404.474 1.920 30 10 HDEE CO[C@@]1(C(F)(F)F)CCCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857277566 CRHDUPQBWPVSJJ-ACJLOTCBSA-N 410.396 1.985 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)CC[C@@H]3CCCO3)C2)C1 1857464754 FVTWWEWXNDJLHY-SJORKVTESA-N 412.490 1.741 30 10 HDEE Cc1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)n(C)n1 1857481754 HWCOSCPBNUWWNQ-OAHLLOKOSA-N 408.462 1.137 30 10 HDEE CCN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)[C@H]1CCS(=O)(=O)C1 1858438023 SOLDOGKIQFWVPF-INIZCTEOSA-N 420.516 1.767 30 10 HDEE N#Cc1cc(Br)c(NC(=O)[C@H](N)CCC(N)=O)c(Br)c1 1866105621 ONKSWKOVXBSOHV-SECBINFHSA-N 404.062 1.615 30 10 HDEE N#Cc1nnn(Cc2ccc(F)cc2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870107172 WKNKKWPYXCMYFX-UHFFFAOYSA-N 404.361 1.572 30 10 HDEE C#CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870563881 RWPGCTXQWOLUSF-UHFFFAOYSA-N 411.502 1.191 30 10 HDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCN(CC)CC3)ncnc21 1873593963 YVOPGVJMEJSDAT-UHFFFAOYSA-N 400.527 1.652 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 1890916033 WXTDHFVWBMXAFH-UHFFFAOYSA-N 405.524 1.052 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 1891224164 MWUDECOKNIDITK-UHFFFAOYSA-N 404.426 1.867 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H]2OCCN(Cc3ccccc3)[C@@H]2C1 1939107501 GLOOLRHKXGOTKD-HZPDHXFCSA-N 401.326 1.810 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C[C@H]3CC[C@@H](F)C3)s2)OC1(C)C 2150390762 YAVZBUISEBOJOK-NWDGAFQWSA-N 404.338 2.000 30 10 HDEE C#CCN(Cc1ccc(N)c(I)c1)[C@@H]1CCS(=O)(=O)C1 2169183279 NCNJVBOZPRQQJH-GFCCVEGCSA-N 404.273 1.496 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@H](CO)C1 2174780385 UCWORZOZFBCIMC-HNNXBMFYSA-N 401.529 1.704 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N=c1[nH]ccnc1I 2178137976 RHZHBLAZVZVZQR-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE C[C@@H](O)CN(CCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1)C(=O)OC(C)(C)C 2217454366 UAVZGCCMSJBPQA-OAHLLOKOSA-N 421.347 1.833 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243379664 NLHJVNVLPJYLMN-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243479756 RSPACHOQHFEGRM-CQSZACIVSA-N 407.320 1.866 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249998098 DARXTYXNNOGDKY-MRXNPFEDSA-N 423.363 1.973 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281959407 ZKRMIVFPRQHSEC-JQWIXIFHSA-N 401.359 1.907 30 10 HDEE CCc1nc(C(=O)N[C@@H](C)[C@@H](CO)SC)c(B2OC(C)(C)C(C)(C)O2)s1 2282031589 UYUUBELEDSNUJA-WDEREUQCSA-N 400.375 1.847 30 10 HDEE CC1(C)NCC[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337032 DGGIQJZECQXDLD-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC[C@@H]1CNCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343187 OQQGNSZOFCZYDG-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE CC1(C)[C@H](CN)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282409780 RUPSTRDHAZREFD-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CS(C)(=O)=O 2282829635 HWXGRXNXXYQTJH-SNVBAGLBSA-N 423.387 1.067 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@@H](C)CNC[C@@H]1C 2282832796 CTJHJQQUYHQKEP-RYUDHWBXSA-N 400.375 1.727 30 10 HDEE CSC(C)(C)CN(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282855295 BVPPYDAFFXWFEU-UHFFFAOYSA-N 403.379 1.481 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CCN2C)c1B1OC(C)(C)C(C)(C)O1 2282869581 FDAJBYNOHVGXGO-ZDUSSCGKSA-N 400.375 1.647 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCCC34OCCO4)c(O)cc2O)OC1(C)C 2282978928 SRRDTIWLVZEBCE-MRXNPFEDSA-N 405.256 1.422 30 10 HDEE COc1ccc(OC)c([C@H]2C(=C(C)O)C(=O)C(=O)N2CCCN2CCOCC2)c1 2295998894 AWOWYDOPKVMSQJ-IBGZPJMESA-N 404.463 1.711 30 10 HDEE COC(=O)c1ccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 2322614455 FHNVZCWJDNVLQF-ZDUSSCGKSA-N 424.866 1.489 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1 2325718799 ZRGUZAFAWWNZBY-UHFFFAOYSA-N 409.445 1.245 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H]4CS(=O)(=O)[C@@H]4C3)c2Cl)OC1(C)C 2361658440 JKKHPIBLWDGPSS-GXSJLCMTSA-N 417.745 1.570 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363703323 GFDQDLCXAATTIA-HOCLYGCPSA-N 413.565 1.719 30 10 HDEE CN(C)S(=O)(=O)CCCNc1ncc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2367613109 BWVHVIFNQGGMEL-UHFFFAOYSA-N 403.741 1.728 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCCN(C(=O)OC(C)(C)C)C1 2367795482 DZZNYYQOZYNRTN-CVEARBPZSA-N 400.541 1.429 30 10 HDEE CO[C@H](C#C[C@H](N)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369569443 YEJVGKOUMHFWGD-GVDBMIGSSA-N 400.541 1.556 30 10 HDEE CO[C@@H](C#C[C@@H](N)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379817347 NMINNRAMJVMHFY-JKSUJKDBSA-N 400.541 1.556 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)Cc2ccccc2)c1 47418399 FRSYEXIIVAMVEA-UHFFFAOYSA-N 402.472 1.966 30 10 HDEE N#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H]1CCCN(c2ccc(-n3cncn3)nn2)C1 96395177 UXAPCOKUNMQSMJ-CYBMUJFWSA-N 419.405 1.692 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccncc3)n2CCc2ccccc2)n(C)c1=O 254739448 GQWJRPVJXMPYTQ-UHFFFAOYSA-N 403.446 1.517 30 10 HDEE CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cs1 409749249 KIHHNDUHGMXSCE-ZIAGYGMSSA-N 403.512 1.609 30 10 HDEE CNC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 435954889 RMOUMVWRDKUJED-RDTXWAMCSA-N 414.487 1.219 30 10 HDEE Cn1cc(-c2noc(-c3ccc(Oc4ccc(C#N)cn4)cc3)n2)c(=O)n(C)c1=O 445551920 HOONIWLNFXUXON-UHFFFAOYSA-N 402.370 1.860 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 478459693 HSWTXYJUKNDHTA-UHFFFAOYSA-N 411.462 1.758 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2)c1 489527661 XMUJDKXGKAJMGZ-OAHLLOKOSA-N 402.476 1.836 30 10 HDEE COc1ccc(C[C@](C)(O)CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 489878904 YQAPZOYNZUJOAB-IBGZPJMESA-N 405.476 1.551 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497576446 JILOBMRBIFIPBU-UHFFFAOYSA-N 412.471 1.276 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)CC1 500914707 ALXUPVPPOCLDGL-UHFFFAOYSA-N 422.526 1.403 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)C1 502859319 UTQQEOZJGWAPNK-QGZVFWFLSA-N 416.909 2.000 30 10 HDEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc(S(C)(=O)=O)c1 505204074 MNDKGNHTXSXRJZ-UHFFFAOYSA-N 421.475 1.358 30 10 HDEE CS(=O)(=O)NCC1CCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)CC1 510264991 BJHWECYSFBCCOX-UHFFFAOYSA-N 410.565 1.698 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 512148977 SIROVBSPKBVLRO-KRWDZBQOSA-N 419.528 1.489 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1Cc1ccccc1 524749362 NBPSNJKYXZSSKJ-UHFFFAOYSA-N 423.494 1.125 30 10 HDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 539596467 LSOBKWASONXDHO-UHFFFAOYSA-N 412.515 1.157 30 10 HDEE CN1CCN(C(=O)CCNC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542959826 XQYDQOCARQUKRW-UHFFFAOYSA-N 415.885 1.683 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3ccc(N4CCCC4)nc3)CC2)n1 545491838 SMKLNWDGPSQGIT-UHFFFAOYSA-N 405.462 1.236 30 10 HDEE CN(C)c1nc(O)cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1 549707894 YXPDUOYRAVAWRJ-UHFFFAOYSA-N 403.446 1.630 30 10 HDEE COC(=O)[C@@]1(NS(=O)(=O)c2cccc(Br)c2C#N)CCSC1 566337584 WKEPCUWGKRAOGW-CYBMUJFWSA-N 405.295 1.648 30 10 HDEE CC(C)(C)C1=CCN(CCNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 583174509 DVLSFOXURAWWSQ-UHFFFAOYSA-N 404.536 1.631 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](C)C(=O)OCCC)nc1C 586302021 HDUGYKAQRUXBGA-QYOLQKOISA-N 402.494 1.823 30 10 HDEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(Cc4ccc(C(=O)O)cc4)C3=O)CC2)n1 612841285 BGTQDABWOCDLKX-GOSISDBHSA-N 419.441 1.101 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCC(=O)N2CCOc3ccccc32)CC1 730103522 BESRMFHLUXHOQH-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE Cc1ccc(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 731187826 ZTLBWXZBXJRUTB-AWEZNQCLSA-N 424.523 1.830 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 731861008 FXYQPZBUDLLLDB-JFLJVCDGSA-N 402.838 1.336 30 10 HDEE CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465043 CTAYVUVJPBSFIJ-VHEBQXMUSA-N 421.448 1.564 30 10 HDEE C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732665943 BCLZONGCNSOBOY-KUHUBIRLSA-N 405.861 1.876 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1ccc(C#N)cc1 740178132 INKLXZKZUSKBGX-WAPLAKNRSA-N 413.430 1.816 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 746104878 HILMRHGJPQPLIE-DIGCTUSJSA-N 412.446 1.450 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 747458294 NPNRUTKIBPMALW-LBPRGKRZSA-N 411.423 1.439 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1C#N 747497636 GPHQZVAEDZWRMV-UHFFFAOYSA-N 423.397 1.503 30 10 HDEE Cc1cc(S(N)(=O)=O)cc(NC(=O)COC(=O)Cc2cccc(C#N)c2)c1C 750429960 IIAOZZYKBRSLIW-UHFFFAOYSA-N 401.444 1.547 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)c2cnn3c2CCCC3)c1 750619116 DRZRSVPQEGWJKV-UHFFFAOYSA-N 409.265 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)NCc1ccc(C#N)cc1F 755263842 SUWKXWBTWUIDSJ-MRXNPFEDSA-N 404.442 1.829 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2cccc(OC(F)(F)F)c2)NC1=O 758815183 JNTNXOPBUQAPII-LBPRGKRZSA-N 404.414 1.872 30 10 HDEE CC(=O)N1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@@H](C)C1 763683479 IIUQUQOEAUIGEC-HNNXBMFYSA-N 420.535 1.365 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 768004296 FAIROFYSUFIWMN-YWMAMYRUSA-N 422.482 1.045 30 10 HDEE S=C(NCCN1CCOCC1)NN=C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 768352696 QPSQRVBOPLAVMY-BGYRXZFFSA-N 401.580 1.966 30 10 HDEE COC(=O)[C@@H](NCCOc1ccc(NS(C)(=O)=O)cc1)c1ccc(C#N)cc1 773211793 WOKNUHCESCNJSE-SFHVURJKSA-N 403.460 1.812 30 10 HDEE C#CCN(C(=O)NCc1ccc(NC(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774167915 MFOYXZKQCFGRAU-QGZVFWFLSA-N 406.508 1.548 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 774194058 BNVIJRKGDBZSQK-PMACEKPBSA-N 403.548 1.731 30 10 HDEE C=CCOCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 780030132 XDFURENJMPYRGU-UHFFFAOYSA-N 423.318 1.947 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 780862087 HMDDLVZPMDSICZ-QFIPXVFZSA-N 422.485 1.904 30 10 HDEE COc1ccc(C(=O)NCC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1OC 782608104 RTJJSIVIYRCGMT-UHFFFAOYSA-N 417.443 1.119 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)n1 788695394 LFSRCDOLXLDALE-UHFFFAOYSA-N 423.466 1.669 30 10 HDEE Cc1nn(C)c(C)c1C=Nn1c(-c2cnn(C)n2)csc1=NC[C@@H]1CCCO1 789967355 LACODQBCMYZYQI-AWEZNQCLSA-N 400.512 1.657 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(OC)c(Br)n2)n1 790104463 BQZSRWUIKAJLJP-UHFFFAOYSA-N 407.268 1.971 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc(OC)cc3C)cc2C1=O 793356678 HMACAUUXZRBNLV-UHFFFAOYSA-N 414.439 1.904 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)OCCn3nc4ccccn4c3=O)CC2)c(F)c1 797002083 VKHKSTRHMQWKPS-UHFFFAOYSA-N 409.421 1.967 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H]1C(=O)Nc1ccc(OC)cc1 800007175 GYSCYPFSKZVRTL-QGZVFWFLSA-N 410.496 1.205 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 800082833 ATEZNNATTVEUFW-INIZCTEOSA-N 416.544 1.567 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(C(C)C)[C@@H]2c2ccc(F)c(F)c2)CC1 801958441 GOAPYEYDUGUNED-RBBKRZOGSA-N 404.505 1.856 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)c(F)c2)=NO1)[C@@H]1CCS(=O)(=O)C1 802349877 YFLMVAXRVUENDE-CABCVRRESA-N 423.466 1.159 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 802625185 DHIQNXBTBVFXTA-RVKKMQEKSA-N 401.463 1.600 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C#N)CCC1 809815324 VLXKRGWXPPVRLF-UHFFFAOYSA-N 400.545 1.495 30 10 HDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C)[C@H]1CCS(=O)(=O)C1 809870836 QTAJXJUNPJYRJO-AWEZNQCLSA-N 406.533 1.743 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CC=C)CC1 809893305 MMTTWMILPQCKGJ-QGZVFWFLSA-N 416.526 1.528 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@@H](CO)C3)cc1 810166497 UCKBJOUYTCGTPP-BKGXCPHWSA-N 406.508 1.877 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)nc1 858064931 PAFVAUZADRMPKE-QGZVFWFLSA-N 414.487 1.876 30 10 HDEE CN1CCN(CN2C(=O)C(=NNC(=S)NCc3ccccc3)c3ccccc32)CC1 1084079984 QLFJRZORUHEFAQ-UHFFFAOYSA-N 422.558 1.607 30 10 HDEE C=CCCn1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)nn1 1125130193 BXDURERHSCMQGP-FQEVSTJZSA-N 408.506 1.590 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)nn1 1129930386 IGTZZVWQWUCQOO-AWEZNQCLSA-N 406.512 1.153 30 10 HDEE N#Cc1ccc(OCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1134996723 QOXJSSDAWPUVBE-XJKSGUPXSA-N 402.394 1.905 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)CC#CC)c2)n1 1139833272 GNEJGWZBWUUIAY-UHFFFAOYSA-N 413.499 1.602 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1160815732 FYAWZPKIFFMSMP-MSOLQXFVSA-N 415.852 1.873 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(C)(C)C)C(=O)OC)ccc1F 1163077948 MHZJJYQAYWBONW-CQSZACIVSA-N 400.472 1.998 30 10 HDEE C#C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C1CCOCC1 1167413452 FXBOGIOCBBNEDS-OAHLLOKOSA-N 412.533 1.052 30 10 HDEE C#CCN1CCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)CC1 1170249203 PCHUITIKGAMOHF-FQEVSTJZSA-N 414.550 1.789 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1177763666 OKMICZYJKKNHSU-IZCOPSDLSA-N 422.522 1.827 30 10 HDEE CC1(N2CCCC2)CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 1178090018 JMTLCGBKHLLZLC-UHFFFAOYSA-N 404.536 1.750 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1192317806 CSQUKCWJAQLVSB-QMMMGPOBSA-N 410.673 1.552 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CN1C(=O)CNC1=O 1198421346 VCZDNFXQADXCDO-UHFFFAOYSA-N 400.435 1.547 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)CC1 1235137467 NFZHHBBURVBYDW-UHFFFAOYSA-N 409.483 1.425 30 10 HDEE C#CCN(C(=O)N[C@H](C)Cc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1251214168 CBMRURQQSNHGOB-HUUCEWRRSA-N 424.519 1.475 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1286275931 PTFYBOMFKZJAGN-DYESRHJHSA-N 406.527 1.831 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1286314152 LCHRDRZFFLEXSK-HNNXBMFYSA-N 424.571 1.044 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1286363418 NVADSMSHYWXBOZ-NHCUHLMSSA-N 401.511 1.399 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1286376902 MUTZXGMHMYMXFU-JOCHJYFZSA-N 416.529 1.948 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1286387753 UXJPIXZIHXHSAZ-DLBZAZTESA-N 419.551 1.725 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@](C)(CC)O2)CC1 1286483400 JQTZMUUUSAVZBT-AVRDEDQJSA-N 414.554 1.503 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1286552958 OMLUBIPFBFHTKK-LEOABGAYSA-N 415.535 1.664 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1286614368 QHTYAKYVPRVILA-HXUWFJFHSA-N 407.515 1.238 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)CC1 1286667816 NAQYGHKMQSZSRD-CYBMUJFWSA-N 403.574 1.059 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(F)F)C1 1286818076 BMBBWTBLMZQYGH-ZDUSSCGKSA-N 412.466 1.817 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1287144133 FDQFGYDATWIJRW-VXKWHMMOSA-N 408.506 1.940 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)C1 1287787690 IASHNFGETCFHEU-IRXDYDNUSA-N 405.547 1.369 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1298344655 VQIHQKRYPOUXML-ZWKOTPCHSA-N 410.478 1.517 30 10 HDEE Cn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1298870043 XKJBYOQANBLQEM-GFCCVEGCSA-N 400.393 1.053 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2cccnc2)C(C)(C)CO)cc1S(=O)(=O)NCC#N 1299954467 DDMJKFUFFIWLBM-GOSISDBHSA-N 416.503 1.682 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300601685 KCRDOSFRCHKZAA-AUUYWEPGSA-N 423.514 1.395 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(C)n1 1300642801 USZILRSDOQMEPO-UHFFFAOYSA-N 422.468 1.470 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2cnnn2C)n1 1300681251 LOMWMGDYRZLGLA-UHFFFAOYSA-N 409.498 1.205 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300756048 CVSJRBNPNTUQFF-AWEZNQCLSA-N 400.512 1.054 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCCOC 1300802027 ZASOOOXJYJNUIO-VGOFRKELSA-N 424.505 1.690 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300948901 HPGGURZVNGKYIT-HOTGVXAUSA-N 402.499 1.862 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1301087307 AZPNFRGEBYLFIC-UHFFFAOYSA-N 417.535 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301490167 LWTFBHKACHKVLY-OAHLLOKOSA-N 423.926 1.524 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2ncn(C)n2)C1 1301564880 AHLUEHMHRNMHEM-QGZVFWFLSA-N 413.457 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(N2CCCCC2=O)CC1 1301584459 ANHVUKNNUFDXHK-UHFFFAOYSA-N 421.567 1.738 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301611655 FQQCZIXXRSAMIS-LSDHHAIUSA-N 420.539 1.174 30 10 HDEE Cc1ccc(N(C(=O)CN2CCO[C@@](C)(C#N)C2)[C@@H]2C=CS(=O)(=O)C2)cc1C 1308113675 GIPGOMAXABPPTG-QUCCMNQESA-N 403.504 1.562 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(C(=O)NCCN(C)C)c1 1311861014 DYMZQYWLNYZSSI-UHFFFAOYSA-N 416.522 1.465 30 10 HDEE C[C@]12CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C[C@H]1CS(=O)(=O)C2 1312944142 ASZHEPLFOAKFQV-GHTZIAJQSA-N 416.547 1.599 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1313666909 YPDQZBYUCXDPIA-OWSLCNJRSA-N 406.531 1.461 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CCO1 1315015167 GMAMJRYFHKWYQS-GOSISDBHSA-N 412.494 1.726 30 10 HDEE COC[C@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1315810594 JWKCEWKHXUEQJV-XJKCOSOUSA-N 402.496 1.003 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCSCCCO)CCN1C1CC1 1316538188 HYTXJIKNFNDQQC-QGZVFWFLSA-N 413.551 1.632 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1350477637 MRLDGZMHWARQML-UHFFFAOYSA-N 421.479 1.136 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1358905334 XIDKTQMUGSBEMX-QWHCGFSZSA-N 423.461 1.459 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C(C)C)CC1 1358919417 BVXOBAAKTJYSRR-OAHLLOKOSA-N 424.571 1.043 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCN(C)C(C)C 1358939769 FHTZLHNJKRIMOV-UHFFFAOYSA-N 417.583 1.956 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1358962077 JUGDHNGVCZBLED-SQNIBIBYSA-N 424.567 1.470 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1358962849 YDVYUTAPHLMCOH-PKOBYXMFSA-N 419.595 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)cc2OC)CC1 1359034531 UOSGJOXIIJCSRF-UHFFFAOYSA-N 403.490 1.856 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2snnc2C)CC1 1359047377 DQNKYYRVNJKAMQ-OAHLLOKOSA-N 415.523 1.304 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)NC 1359071997 LDSHNKSVJDVYLY-HXUWFJFHSA-N 401.536 1.719 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(-n3cncn3)nc2)CC1 1359172848 KGXDDGPOVHMTIT-UHFFFAOYSA-N 421.509 1.843 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359303835 CCZRHEWZIFEGQB-SJORKVTESA-N 400.527 1.719 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2CCCC3(CC3)S2(=O)=O)c(C#N)cn1CC 1436861458 LPZJXKMMXIDIHX-UHFFFAOYSA-N 408.480 1.453 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CCCN1C(=O)OC(C)(C)C 1439089302 RORPLHYHIVZGRV-AOMKIAJQSA-N 420.506 1.818 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCN(c3ccccc3Cl)CC2)C1=O 1449172887 KUSJSJYTWVQANB-UHFFFAOYSA-N 404.854 1.356 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)cc1 1454253937 AOGXHQUPKQAKOV-RTBURBONSA-N 408.483 1.911 30 10 HDEE N#CC1(CC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCOCC1 1456148929 ZORUMSOYZHPYJF-KRWDZBQOSA-N 414.510 1.109 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCc4c(OCC(N)=O)cccc43)cc2C1=O 1460232237 BVIYMESLHTWXRM-UHFFFAOYSA-N 419.437 1.926 30 10 HDEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN[C@H](C)CC#N)c(O)nc1=O 1460313612 DTQPOHDEDWQENB-OAHLLOKOSA-N 412.494 1.756 30 10 HDEE C=CCn1cc(CNC(=O)CCNC(=O)c2cc(F)ccc2Br)nn1 1461059245 UVSUEYZBKVHIOD-UHFFFAOYSA-N 410.247 1.802 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC 1464548156 XHDIKRJDAOHTTG-LLVKDONJSA-N 417.285 1.668 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1 1469535808 SUSZFQFLUVGVQI-NHCUHLMSSA-N 422.485 1.883 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4nnc(C)n4C)CC3)n[nH]2)c1C 1469682074 SWXLEYYRYQWCQI-UHFFFAOYSA-N 409.498 1.475 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)CC1 1470614656 AVXKGDKDAJCMAJ-UHFFFAOYSA-N 413.503 1.522 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1)C1CCOCC1 1470866944 QOFGYTSGIHSISM-GOSISDBHSA-N 415.490 1.600 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cnc3C3CC3)C2)c(=O)nc1O 1472370361 GELGHPCMFBDPAV-UHFFFAOYSA-N 416.235 1.553 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@H](CO)C1 1472410627 CWKGPLAHIOEIMR-KRWDZBQOSA-N 411.462 1.798 30 10 HDEE C#CCN(CC(=O)Nc1nc(Cc2nnc(S)n2C)cs1)C(=O)OC(C)(C)C 1472469172 OOVCUGRNFYYHKW-UHFFFAOYSA-N 422.536 1.960 30 10 HDEE COc1ccc(OC)c2c1CN(CC#CCN1C(=O)c3ccccc3C1=O)C[C@H]2O 1473106786 ZJAKOWOLYVFULC-GOSISDBHSA-N 406.438 1.852 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)C1CCOCC1 1473638118 PKWBBQTXKXTCGI-ROUUACIJSA-N 406.552 1.488 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1475192247 GYVQHAUIAUNIOF-MRXNPFEDSA-N 422.304 1.956 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCCc2ccc(F)cc2)CC1 1478482141 RDXSYOLYLQCXQM-UHFFFAOYSA-N 410.515 1.333 30 10 HDEE Cn1cc(I)c(CNC(=O)NCc2nc(C#N)cs2)n1 1478629170 ZKSAMJGPAUCTJK-UHFFFAOYSA-N 402.221 1.352 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1494254844 YCFBSQBDTITMTG-AWEZNQCLSA-N 420.564 1.698 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2COCCO2)CCCO1 1494476396 DGGHQTARHVCBCK-APWZRJJASA-N 413.478 1.759 30 10 HDEE CN(CCN1CCOCC1)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1503619645 QPSPOLPTGQFJEJ-INIZCTEOSA-N 400.483 1.453 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1505047666 PLLCELAJBQGYER-GOSISDBHSA-N 422.493 1.950 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1507608887 UQRSHJRDLJZLQY-IBGZPJMESA-N 403.490 1.706 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)OC(C)(C)C 1507609728 FDOKJPZLHRIRRY-UHFFFAOYSA-N 423.481 1.515 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632647 ORQVXBHXMKZNPN-QZTJIDSGSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1507649168 ZRFIFGKSHNLFCK-UHFFFAOYSA-N 411.267 1.467 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCCC2)CC1 1507723304 CQMXMEOJICOBFT-RBUKOAKNSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccc(F)cc2)CC1 1507733293 STHJSCWOVRBJIN-KNQAVFIVSA-N 413.497 1.932 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507805956 RFNKWBWDWZOIFU-NQIIRXRSSA-N 416.570 1.566 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507833359 NEVSEBOTPJQVNE-ZIAGYGMSSA-N 419.507 1.206 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1507934593 HLSOTCZIKRVIEB-QGZVFWFLSA-N 424.567 1.922 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1507967889 NVHXINPLRNOIJK-XUVXKRRUSA-N 419.570 1.922 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1)C1CC1 1507993338 PRMZJAUFGXWMFF-IFXJQAMLSA-N 406.508 1.836 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@H]3CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1508097539 ITTQQHDMBKWRRY-FIKGOQFSSA-N 419.526 1.095 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1508167315 HPDKMWBSMCFTLI-PXNSSMCTSA-N 423.583 1.954 30 10 HDEE CCCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1514359209 CGQFODSQQYEIHL-HZPDHXFCSA-N 407.540 1.879 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1521154980 MIGLMGSOVFWPRU-INIZCTEOSA-N 412.498 1.455 30 10 HDEE CC#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1522169275 CZUQFCFVCDBADK-PYOKUCOHSA-N 402.413 1.774 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O 1522367709 QYXJQHAWYNYPAE-UHFFFAOYSA-N 404.467 1.331 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1nccs1 1524723654 CGDRBOWKPNXIRR-UHFFFAOYSA-N 408.505 1.815 30 10 HDEE C[C@H](C(=O)Oc1cccc(OCC#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1525228892 XQTYKPBJLXFYNX-CQSZACIVSA-N 403.435 1.962 30 10 HDEE C#CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1526512293 QABCQVNLIHWHLN-UHFFFAOYSA-N 405.520 1.259 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 1534509876 MJZGWMSEJUCGSA-LBPRGKRZSA-N 417.267 1.865 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 1538585649 LEEHEEONXVQUEJ-OAHLLOKOSA-N 418.881 1.272 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1539072912 YUDOHDAIZMXAIN-INIZCTEOSA-N 423.539 1.262 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1539211278 KRVUKUXHUMCTFQ-INIZCTEOSA-N 418.519 1.617 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539220556 SVKVTEQDVXVVOG-QGZVFWFLSA-N 407.584 1.589 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)COCC)[C@@H]1CCS(=O)(=O)C1 1539231133 OWZNDFWXHJOELR-IAGOWNOFSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](F)COC 1539305354 YGZBEKZPOSSZAG-QGZVFWFLSA-N 418.494 1.796 30 10 HDEE CC(C)(C)[C@@H](C#N)NC(=O)c1ccc(I)cc1-n1cnnn1 1539355665 VXIPFKCBNCQYET-GFCCVEGCSA-N 410.219 1.935 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2Cc2ncn(C)n2)n1 1539424583 SZSNTWGUEMXEQY-UHFFFAOYSA-N 423.525 1.595 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(c3ccccn3)CCC2)CC1 1539427681 HFZNCYMXITXRJK-UHFFFAOYSA-N 421.549 1.688 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@H]1C 1539632307 QNUOOIJBFNIACS-VXNCWWDNSA-N 403.527 1.820 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539701516 JUHJDOOYCRPTQP-MGPUTAFESA-N 402.499 1.910 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539918957 UVSOHCATCXEFPT-INIZCTEOSA-N 411.510 1.488 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1540072359 KWIQUJKHAGDRBM-ZDUSSCGKSA-N 405.471 1.279 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1)C1CC1 1540095230 OAFDQDCVNGNADK-OAHLLOKOSA-N 404.540 1.989 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CC)C1CC1 1540095736 ULGHBKKRQAQVLN-RDJZCZTQSA-N 410.588 1.918 30 10 HDEE Cn1cnnc1[C@H]1CCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1540836684 GBHIYUMKSHSJGY-DOTOQJQBSA-N 421.461 1.298 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C)C1 1540868930 WWGPOPBBLTWNKT-MRXNPFEDSA-N 407.478 1.658 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(N2CCCCC2=O)CC1 1540877436 UWWKAQGMIRBBPN-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1543463727 VAAKVRDAMWYUEQ-JZXOWHBKSA-N 408.520 1.643 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCCN2C(=O)C2CC2)nn(-c2ccc(F)cc2)c1N 1543681235 XZAFMLGMBSIESR-IBGZPJMESA-N 424.480 1.915 30 10 HDEE COC[C@@](C)(CC(=O)OC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1544893775 STJJQANGCBEFTJ-KZMFIGSESA-N 423.510 1.858 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 1545752691 BHSFVJBCKUKDBO-CYBMUJFWSA-N 407.467 1.786 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(C)COCCO1 1554150278 WZOLSXLNHLZEBK-JOCHJYFZSA-N 424.505 1.828 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)Cc1c(C)cc(C#N)cc1C 1556930482 QOBKSFNAEVQSCS-YOEHRIQHSA-N 403.504 1.687 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)CC1 1558638034 LDGJKYPFRQEKNQ-OAHLLOKOSA-N 403.545 1.730 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1 1558940152 HHKZOOVCPQDFBQ-GOSISDBHSA-N 404.536 1.511 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 1560192177 WUBIXUQOEKWXFO-FQEVSTJZSA-N 423.535 1.684 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1561675264 HHXNMLKKARMGIR-CABZTGNLSA-N 417.281 1.649 30 10 HDEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1 1583840428 BLAAADRWVHPTMH-UHFFFAOYSA-N 401.488 1.990 30 10 HDEE C=CCC1(NC(=O)c2cc(S(N)(=O)=O)ccc2Br)CCOCC1 1583952686 HQTPGPSKFNIEPB-UHFFFAOYSA-N 403.298 1.952 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)nc1 1585237820 WGYKBLYDNUZCOR-LJQANCHMSA-N 423.448 1.472 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)cc1C 1585432098 VFOCZJLVUKWSGK-FQEVSTJZSA-N 405.520 1.845 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)c1 1585591863 GWBGVSSAURVWRP-UHFFFAOYSA-N 424.519 1.772 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC 1587603389 LBYXTLYMRHLZLD-BTYIYWSLSA-N 400.479 1.962 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1587620507 GPTJMCGNZHNQBP-SZNDQCEHSA-N 408.462 1.857 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C1CC1 1588482922 YIJHLIJEWUKMJP-GOSISDBHSA-N 424.480 1.534 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2conc2COC)CC1 1588780627 UCKQUKFSXXCZLD-UHFFFAOYSA-N 422.489 1.892 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1588877068 UDGGBUZQFSVIBF-ZRNYENFQSA-N 417.554 1.572 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nccs1 1589151075 QLSXRVKCHYKIQO-RDTXWAMCSA-N 422.580 1.970 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C(=O)COC)CC1 1589569256 OJWZUVBLEUVXFI-VQIMIIECSA-N 407.515 1.091 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595776799 FUPQSKSAGILQEM-IAGOWNOFSA-N 415.519 1.261 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC(=O)N1C 1612917055 HXMWFEPRWYROLI-FHLIZLRMSA-N 410.478 1.024 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1617613359 DWCNNOIOYNXZGB-MOPGFXCFSA-N 424.505 1.710 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1619317531 HXIIAIQISWAFLX-JLTOFOAXSA-N 414.441 1.586 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1619538860 CKWFTVCLUOTFFV-BMGDILEWSA-N 412.494 1.568 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)CN2Cc3ccccc3OC2=O)C1 1624819395 LMPDSGQDEUZDHC-CABCVRRESA-N 400.435 1.876 30 10 HDEE C=C1CCC(CNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 1628484480 OGWFYHLLRHVSPR-UHFFFAOYSA-N 421.567 1.579 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(N3CCCCC3=O)CC2)c1 1629824078 KBSICFCAFCMOKT-UHFFFAOYSA-N 407.467 1.740 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)c1 1631436934 OJRLZOOUTXHQKZ-KRWDZBQOSA-N 410.467 1.420 30 10 HDEE CC(C)c1nc([C@H](CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cs1 1631476987 YFKOIWBJGBJDAP-LBPRGKRZSA-N 408.505 1.155 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 1632027786 GJPRUKNAPFRHQP-FQEVSTJZSA-N 418.563 1.378 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](CO)Cc2ccccc2)s1 1632713178 BNAGCCGEFGWRDH-MRXNPFEDSA-N 408.545 1.817 30 10 HDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1F 1633090754 QLJXYBZMDDFMGB-FJTVPBJSSA-N 405.382 1.621 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)s1 1635662330 JUXHNIBTIAJISY-XJKSGUPXSA-N 424.548 1.525 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1636299756 PEIRZNANFIJOTQ-CABCVRRESA-N 404.529 1.508 30 10 HDEE C#CCC1(O)CCN(C(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1636660891 WCMHBMPTNRZHAV-UHFFFAOYSA-N 405.303 1.649 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)c1ccccc1 1636976229 SEYUZZWDDFBXNI-LGRMXARXSA-N 410.517 1.262 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)CCCOc2ccc(C#N)cc2OC)[C@H](CO)C1 1637068385 UDAQEOWHFCUOAF-JKSUJKDBSA-N 405.451 1.291 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)OC 1639559136 UPBFFENHIMHCEC-XJKSGUPXSA-N 405.838 1.425 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@H]1c1cccc(F)c1 1640541780 FYFJESPUTXUTFM-KUHUBIRLSA-N 417.462 1.964 30 10 HDEE CO[C@@H](C(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)s1 1641970465 JDQHZTNWHKEMEQ-LLVKDONJSA-N 413.253 1.148 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(N2CCN(C)CC2)CC1 1642911889 AJBHFHBCVKPNBS-UHFFFAOYSA-N 409.538 1.389 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)cs1)C(N)=O 1646255279 MRRFXSFQRYYYPZ-MRVPVSSYSA-N 407.546 1.752 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCO[C@@](C)(C#N)C1 1647990587 DFSATMGSJDCRON-WMZOPIPTSA-N 411.549 1.536 30 10 HDEE C[C@@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCOC2(CCC2)C1 1652140315 AHRUCOFWHJIYES-LJQANCHMSA-N 405.520 1.971 30 10 HDEE C#CCN(C(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C1CCN(C)CC1 1652511825 HBCSFBXJFAXGGM-UHFFFAOYSA-N 410.474 1.051 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 1659720129 PHVUZEYYAIHSIJ-FQEVSTJZSA-N 413.503 1.615 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2ccc(C#N)cc2)CC1 1659828360 CKGXNFCKKJSIIR-CPNJWEJPSA-N 400.504 1.660 30 10 HDEE N#Cc1ccc([C@H]2CN(C[C@@H](O)Cn3c(-c4ccccc4)noc3=O)CCO2)cc1 1660382717 ZHXPHASXHRYMFV-WOJBJXKFSA-N 406.442 1.809 30 10 HDEE CC1CCN(CCc2cccc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)c2)CC1 1669476083 HPZKXUSVBHYBNQ-UHFFFAOYSA-N 424.505 1.917 30 10 HDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1671576923 ROZCDJRQLUGZDW-OALUTQOASA-N 423.517 2.000 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC1 1672352014 BPMPBTOQZJUKDL-KRWDZBQOSA-N 418.519 1.173 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 1681546491 MELXBBMJJDIINF-PKOBYXMFSA-N 404.461 1.853 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1684475697 IRQGVALHNZJTHW-IYBDPMFKSA-N 400.483 1.841 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cc(C(F)(F)F)nn3C)CC2)c1C#N 1685170282 YFMGGXZHKGGFJT-UHFFFAOYSA-N 410.404 1.384 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCOCC2CCOCC2)CC1 1690120358 RZRJWQGQCPXMNR-UHFFFAOYSA-N 412.538 1.862 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOc2ncccc2F)CC1 1690148823 WETNQBXIXBCEHO-UHFFFAOYSA-N 400.458 1.419 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1690306906 JNBWPXLMJIMEFN-UHFFFAOYSA-N 424.505 1.880 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCCNS(=O)(=O)CC)CC1 1690408844 ZVUVYEUCKAFZDZ-UHFFFAOYSA-N 407.544 1.410 30 10 HDEE C=CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1690496344 OURKYRMIQNRBCT-GHTZIAJQSA-N 416.526 1.998 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1690511949 GUWMVUZRALNIHY-UHFFFAOYSA-N 418.586 1.913 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@H](OC)C1 1690663096 LVDZKLLCFSNOME-INIZCTEOSA-N 400.439 1.771 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCCO2)nnc1[C@]1(OC(C)C)CCOC1 1690677174 QFSJSUGOLYNDIA-UTKZUKDTSA-N 421.542 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690725511 SJHYXCRFMNOHIT-QGZVFWFLSA-N 406.556 1.254 30 10 HDEE CO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1698276806 CBFWYKMDLHGHPX-DVSFIDLUSA-N 423.477 1.015 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705534010 WPKRLOQEPSSKLY-MRXNPFEDSA-N 412.498 1.046 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705571189 WNNHAXHQAGBMOA-QGZVFWFLSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(N)=O)c1 1705588088 VJIGIFGTZYDASB-UHFFFAOYSA-N 418.501 1.319 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1705616147 VRARGNCENLVZCC-UHFFFAOYSA-N 417.477 1.129 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](F)C2)CC1 1705639194 IQZJDRHNKFHADY-ZACQAIPSSA-N 409.531 1.074 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCSC1 1705669862 ZEXQKMWAZSTBPP-HSALFYBXSA-N 406.552 1.790 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705739265 AIHUNIBIQPTDOJ-ZWKOTPCHSA-N 413.526 1.447 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1705902412 DKBUJSZMOYXOIT-PMACEKPBSA-N 424.549 1.795 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1706814310 VGKIVOSOJFONTR-FUHWJXTLSA-N 410.526 1.673 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1709294756 APHGHYBJHPHWHV-OAHLLOKOSA-N 402.524 1.944 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1710117577 LDGBYPZXXYYHPD-SFHVURJKSA-N 407.482 1.899 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1712588155 ADTSWSQRCZFJRO-NVXWUHKLSA-N 401.467 1.927 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@H]1OC 1712681708 GTXMXQMWOXVNLU-HDICACEKSA-N 401.467 1.066 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O 1722284278 ZVERMDBETHOJNP-DOMZBBRYSA-N 411.422 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)NC(C)C 1722375301 MILDSIYMFFGZDT-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CC1 1722436229 AJNALRXHYOSNHM-FQEVSTJZSA-N 422.533 1.269 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2CCOCC2)CC1 1722565579 ADYOJOLCPUKJTK-QGZVFWFLSA-N 409.556 1.059 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(CC)Cc1cnn(C)c1 1722729078 WRAFOHWGALVIAV-MRXNPFEDSA-N 408.528 1.143 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1728655393 CQXXTMKHUNMLAN-QRWLVFNGSA-N 404.490 1.920 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1740550925 RYYUOGGHGLZDBI-WMLDXEAASA-N 404.492 1.683 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740579326 MSXQWCGEQCKCCW-SFHVURJKSA-N 413.526 1.921 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740588317 POAFUZUBFYEQAK-INIZCTEOSA-N 412.519 1.700 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1740615768 KVESYIJSYBCENR-GHTZIAJQSA-N 416.547 1.936 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740672615 NDOCHAPBCXULDM-QGZVFWFLSA-N 402.524 1.147 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N(C)C)c(F)c2)CC1 1740700120 GWLGXGZCFSXFBX-UHFFFAOYSA-N 400.502 1.823 30 10 HDEE C=CCn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OC(C)C)CCOC1 1740950247 YICUBWKZMKFDAZ-MAUKXSAKSA-N 400.545 1.764 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740995411 KXXKKFNJPIUVHI-INIZCTEOSA-N 403.556 1.512 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1740996173 HPNLTCYEEFZZPT-UHFFFAOYSA-N 406.556 1.248 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCN1CCC[C@H]1CO 1741803900 TYFNQNPLYFIMAW-IXDOHACOSA-N 403.531 1.204 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)O1 1744211132 HTXRYFLBFYUTJT-YKTARERQSA-N 423.539 1.257 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CC(C)(C)C(=O)NC)c1 1748692451 HUDUSGQREDDZDV-UHFFFAOYSA-N 408.506 1.984 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1 1748826055 LKCHPYXHUPPACS-AWEZNQCLSA-N 405.911 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(Cl)cc1 1748826363 STSYDXPJKBISFW-OAHLLOKOSA-N 419.938 1.857 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2conc2COC)CC1 1748991046 PFAFTSVEUJMEIX-INIZCTEOSA-N 400.483 1.110 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC2CCOCC2)CC1 1749199156 GEWDHMRRSPMVGH-UHFFFAOYSA-N 402.543 1.525 30 10 HDEE C=CCCOCCn1c(N2CCS(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1749461041 NBQSCIHEKQUGCX-LJQANCHMSA-N 412.556 1.480 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C1CC1 1749598168 SNZBYZTUEVPVDC-HXUWFJFHSA-N 403.483 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCSC2)C1 1749682898 CHIRZLXBIXOIQC-KNBMTAEXSA-N 421.567 1.638 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1760187976 MKGCWZCTBAIWBX-CVEARBPZSA-N 405.524 1.046 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCSCC)[C@@H]1CCS(=O)(=O)C1 1760190037 XLIKHINKCMJENG-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC[C@@H]1C 1760280831 VECDOXJOPYNACU-HNNXBMFYSA-N 424.530 1.784 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760346269 QCZMMTQHWBJYOL-VQIMIIECSA-N 409.556 1.057 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1760690468 CYILCFXOFQMMRP-CQSZACIVSA-N 410.457 1.844 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1762913131 OONJHBMBWZLEOF-DLBZAZTESA-N 424.571 1.411 30 10 HDEE CCCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1764481858 CZZZWPQZMHRLKD-IBGZPJMESA-N 407.522 1.970 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1765466728 LWVWPWUISLOEAE-RDGPPVDQSA-N 418.542 1.605 30 10 HDEE CCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766524427 XPANMWJXQBEGSZ-SJORKVTESA-N 401.515 1.222 30 10 HDEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1766938601 SOGVCUGAQHTRHE-HXUWFJFHSA-N 403.531 1.109 30 10 HDEE CN1C[C@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1767504590 APIADVLQMDFMIF-IIBYNOLFSA-N 407.478 1.216 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1768192397 XSQSQUQTTULQLD-IBGZPJMESA-N 422.493 1.740 30 10 HDEE COC1CCN(C(C)(C)Cn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)CC1 1770617296 GQVCKVUMZKEZLB-GOSISDBHSA-N 402.543 1.849 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)ON2C(=O)c3ccccc3C2=O)s1 1772784237 FCFCGLPUNHIZSW-UHFFFAOYSA-N 406.441 1.509 30 10 HDEE C=CCC1(S(=O)(=O)N2CCN(Cc3cnnn3-c3ccccc3OC)CC2)CC1 1848479175 GICXRPWKYPZVCI-UHFFFAOYSA-N 417.535 1.832 30 10 HDEE CCCn1nc(C)c(-c2cc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)n[nH]2)c1C 1848865108 HLGANZAWOSQRLD-UHFFFAOYSA-N 419.493 1.923 30 10 HDEE C=CCN(C(=O)COc1ccc(I)cc1)[C@H]1CCN(C)C1=O 1850972978 YQOASMWOFVJETR-AWEZNQCLSA-N 414.243 1.915 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(c3ccc(OC)c(Cl)c3)C2)c(C#N)c(C)[nH]1 1851582973 IQRDYNFOPWKHKQ-NSHDSACASA-N 415.837 1.741 30 10 HDEE O=C(C1CCN(c2ncccn2)CC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851711218 QRULJKXTVQUEJX-UHFFFAOYSA-N 405.402 1.564 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cccnc2)CC1 1851766054 NLJCCKRQOPEOSA-IBGZPJMESA-N 404.474 1.692 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCN(c2nnc(Br)s2)CC1 1851881767 NITVTUMVVYEEFO-UHFFFAOYSA-N 408.281 1.900 30 10 HDEE N#Cc1ccccc1NC(=O)CN1CCN(Cc2cnnn2-c2ccccc2)CC1 1851917496 AHHGXXRJIJPHJV-UHFFFAOYSA-N 401.474 1.895 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 1853613836 XIKFKSJBUGSEBA-FQEVSTJZSA-N 402.454 1.757 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3nc4ccccc4o3)C(=O)C2)C1 1854950038 NWCAGTFREYJBSO-IAGOWNOFSA-N 409.490 1.808 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc3nccnc3n2)CCN1Cc1ccc(C#N)cc1F 1855030271 BQIHCRKEDVOYAH-ZDUSSCGKSA-N 404.405 1.909 30 10 HDEE CN(C)c1cccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)c1 1855319887 CPUDJBZQRSBBNF-KRWDZBQOSA-N 401.444 1.786 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCCC[C@H](N2CCC(C#N)CC2)C1=O 1855597912 MHGFYAWKUCWDAI-SFHVURJKSA-N 407.478 1.634 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(CC(=O)C(C)(C)C)CC3)CC2=O)CC1=O 1855802125 BDMXHCRIURSLGR-QZTJIDSGSA-N 417.550 1.723 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@H]2CCCO2)CC1 1855858391 XOGVWDAEPRQARY-MRXNPFEDSA-N 417.487 1.596 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4cnccn4)C3)C2=O)ccn1 1856457337 NIKNISMLBLGZQS-QAPCUYQASA-N 406.446 1.275 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1856496142 AVIDIOUVYBAXFH-OLZOCXBDSA-N 400.426 1.604 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(Oc4ccccc4)C3)CCC2=O)CC1=O 1856975255 KQADOFPZGDXWAE-ROUUACIJSA-N 411.502 1.549 30 10 HDEE COc1cccc(C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)c1OC 1857154586 XTXMKNVWKHHHQA-MRXNPFEDSA-N 400.479 1.366 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2=O)CC1 1857247274 QCSRMGCLZGWIAB-IBGZPJMESA-N 407.478 1.809 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)ccc1F 1857487650 CDMZKGJLUZXMBZ-CYBMUJFWSA-N 416.434 1.463 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862675361 IUYPJXASOIVKMF-SFHVURJKSA-N 414.389 1.951 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CCC)nn2C 1864320123 LAOPCPRCEUYWRX-QGZVFWFLSA-N 412.490 1.741 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CCSC)sc2c1 1865920477 HNSLNGVOXNOPKO-NSHDSACASA-N 400.551 1.780 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)CNCC(=O)O)sc2c1 1866109492 BHRMCRWPDAYDSU-UHFFFAOYSA-N 424.504 1.272 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3[nH]ncc3c2)cc1 1870143712 XSVRRTJMBNHZQZ-UHFFFAOYSA-N 422.430 1.639 30 10 HDEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870563646 JXXZEHLWXNQQTE-UHFFFAOYSA-N 414.550 1.400 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCOC 1870668936 QCZPYGAGIBPCAI-UHFFFAOYSA-N 408.495 1.627 30 10 HDEE Cc1ccsc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 1874338272 OHYLCILAXLJFMR-WOVPGWDMSA-N 406.537 1.832 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccc(O)c1 1874338604 YFEHOCVDGMTAEI-UMXKZIAQSA-N 417.491 1.855 30 10 HDEE COc1cc(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cc(OC)c1OC 1874435231 UEBIOCKTRQSTJY-KEBDBYFISA-N 423.495 1.297 30 10 HDEE COC[C@](C)(O)CNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1889369680 DLRLBTCGYOYDBL-WSTZPKSXSA-N 405.520 1.465 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891266072 GUZJNLGGSMBYCH-UONOGXRCSA-N 412.475 1.320 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985097077 AFFGOGJBJXRJKB-NIFZNCRKSA-N 410.320 1.811 30 10 HDEE C[C@@]1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCCN(C(=O)OCc2ccccc2)C1 2054405305 ZMDKKHWKCRWUCZ-PKOBYXMFSA-N 406.508 1.858 30 10 HDEE CN(CCN(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243386558 CGJAUZXGEIOLAU-UHFFFAOYSA-N 408.308 1.648 30 10 HDEE C[C@H](CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243387562 WOFHKFBCVNWXKH-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243402380 HJARNVLENBMXTO-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815080 WWLDSLIURSCOHB-UHFFFAOYSA-N 424.307 1.627 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(O)CCSC3)s2)OC1(C)C 2267710809 BGJMLRMQGXGDTF-HNNXBMFYSA-N 405.372 1.194 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267726940 FWVKKJNGDNDUGP-JUZXBQNTSA-N 408.376 1.181 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2281817045 GOKHHQUFGFPESH-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4CC[C@@]4(N)C3)cc2Cl)OC1(C)C 2282316832 IOZQSSDCRYJCLM-QLJPJBMISA-N 418.777 1.813 30 10 HDEE CCN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)CC1 2282320338 HBMMSHIHMWMHHM-UHFFFAOYSA-N 400.375 1.682 30 10 HDEE CN1CCC[C@H]1CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341184 OXJLWCAGHSXQDT-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H](CO)C3)ccc2Cl)OC1(C)C 2282418966 RRYIROZODGRNEE-LBPRGKRZSA-N 401.721 1.642 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3C[C@](C)(O)CO3)ccc2Cl)OC1(C)C 2282502445 LIBRVXHXUQRHLI-INIZCTEOSA-N 403.693 1.326 30 10 HDEE C[C@H]1CCO[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506209 OWPOMWAYBLRNHA-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE CN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CS(=O)(=O)C1(C)C 2282521896 CNCRNLBCAHAHCY-LLVKDONJSA-N 400.331 1.090 30 10 HDEE COCC[S@@](C)(=O)=NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282546406 LMSDFVIEDLOACZ-AREMUKBSSA-N 405.713 1.257 30 10 HDEE CC(C)SC[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2284378324 MLHUMVJXMCXYCP-LLVKDONJSA-N 400.331 1.767 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2284412305 UMOGOCAOUUYBCQ-LBPRGKRZSA-N 401.315 1.497 30 10 HDEE C=C(CS(=O)(=O)NCc1nc(C)c(C(=O)O)s1)B1OC(C)(C)C(C)(C)O1 2284416044 SWGCWFOGOBASDS-UHFFFAOYSA-N 402.303 1.757 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCC[C@@](O)(CN(C)C(=O)OC(C)(C)C)C1 2286345844 RMBQNWKGIFFBQO-MAUKXSAKSA-N 403.545 1.806 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 2365204858 PCMRULXWNYALNJ-BEFAXECRSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(OC)CN(C(=O)OC(C)(C)C)C1 2367793708 WRNLQHSRISCVEK-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](NN)c2cccc(I)c2)CCC1 2367836349 JOYAWYLGEPDODI-ZDUSSCGKSA-N 404.273 1.766 30 10 HDEE COc1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 5366765 ODNNTAKNRJRKEX-UHFFFAOYSA-N 403.416 1.027 30 10 HDEE C#CCn1/c(=N\C(=O)c2cc(C)nn2CC)sc2cc(S(N)(=O)=O)ccc21 13700118 ZICCAXNTQSQYGS-HTXNQAPBSA-N 403.489 1.249 30 10 HDEE NC(N)=NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C\c2ccccc2)cc1 33395658 UVIDHBZAMUAXMC-WDZFZDKYSA-N 403.489 1.175 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 43329314 GFBVLQUEXFRHGT-UHFFFAOYSA-N 406.489 1.962 30 10 HDEE COCCN1[C@@H]2CCN(C(=O)C3(C#N)CC3)CC[C@H]2Oc2ccccc2S1(=O)=O 247908135 XTGYGHZDBRRYFG-HZPDHXFCSA-N 419.503 1.379 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]21C 301054536 AAMGSJIEPUHTOK-KPMZELIISA-N 418.486 1.099 30 10 HDEE C[C@H]1[C@H](c2ccc(Br)cc2)OCCN1c1c(C#N)c(=O)n(C)c(=O)n1C 301816993 HRFJIVFDUFWQSJ-XHDPSFHLSA-N 419.279 1.685 30 10 HDEE CN[C@@H](C#N)CCn1cnc(I)c1I 379495600 YNIUJIHQYXFUAT-ZCFIWIBFSA-N 416.004 1.594 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCC2CCC(C#N)CC2)cc1 441145660 LUNUXVORMHJEHG-UHFFFAOYSA-N 406.508 1.712 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccc(C3CC3)nn2)CC1 448150627 FIWJNZWONFLDBS-UHFFFAOYSA-N 412.475 1.764 30 10 HDEE Cc1ccncc1N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 467757533 FFMNCQKXYGBKIZ-UHFFFAOYSA-N 413.503 1.463 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)cc1 470379560 NAXPKJLZOVZBQD-SFHVURJKSA-N 424.482 1.837 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 473833621 XZIOFZVXSHQRQM-UHFFFAOYSA-N 406.537 1.449 30 10 HDEE CC(C)N(CCOCCNC(=O)c1ccnc(C#N)c1)C(=O)c1ccnc(C#N)c1 476974398 XOQIAEVSCHOEPL-UHFFFAOYSA-N 406.446 1.517 30 10 HDEE COc1cc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1 480112832 BPSLLLLNLZPDBX-CQSZACIVSA-N 417.487 1.901 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 488812124 DYUXVIPUUBKCPM-INIZCTEOSA-N 400.460 1.899 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2ccc(OC)c3oc(C(=O)OC)cc23)CC1 506311146 RDWFBSAPMGQTRX-UHFFFAOYSA-N 401.463 1.648 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 524465439 YJCDXLWEYQGMJG-QGZVFWFLSA-N 415.538 1.344 30 10 HDEE COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545474894 FSGCEAKHVFYDHQ-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CN(C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546223997 QWJIUZAESNESAP-UHFFFAOYSA-N 407.478 1.468 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCC(C)C)n2C[C@@H]2CCCO2)CC1 555385269 WCBDZIDIDCPXSN-SFHVURJKSA-N 404.559 1.470 30 10 HDEE N#Cc1cc(Br)cn(CC(=O)NCc2cnn(-c3ccccc3)c2)c1=O 562041109 XJRVTHQZPKMHTG-UHFFFAOYSA-N 412.247 1.985 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 578051701 MWQFDFIFFDQKBD-MRXNPFEDSA-N 419.493 1.995 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)Cc1ccncc1 586152423 LQNQWFJYRIQELC-UHFFFAOYSA-N 400.460 1.931 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCn3c(Cc4ccccc4)nnc3C2)c(F)c1 586860366 CKBMPABCLNOTSA-UHFFFAOYSA-N 418.432 1.538 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(c3cc(C#N)cc(C)n3)CC2)c1 587024782 YPCONXSMSAVJJA-UHFFFAOYSA-N 402.476 1.790 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@H](c3cc([N+](=O)[O-])ccc3OC)N2N1 588226879 IZTSBDVCTZGVPW-SFHVURJKSA-N 423.454 1.666 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609283507 JBPQPTPOIXWCOL-YOEHRIQHSA-N 401.536 1.986 30 10 HDEE CCN(Cc1ccc2c(c1)OCCO2)C(=O)CN1CCN(c2ncccc2C#N)CC1 619510036 DWPJWOWGTQAUKD-UHFFFAOYSA-N 421.501 1.895 30 10 HDEE Cc1cc(C#CCCO)cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1 703967485 ARIFUOJIOZZLBM-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 729334255 KWHSBSSVWFDCSI-IBGZPJMESA-N 418.515 1.684 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3ncccc23)c1C)[C@@H]1CCS(=O)(=O)C1 731339660 DCLXCRHQVLTFNX-OAHLLOKOSA-N 409.471 1.386 30 10 HDEE C#CCN(C(=O)c1ccc(OCc2noc(CC)n2)cc1)[C@@H]1CCS(=O)(=O)C1 734426852 YORGAUZYKWYQGU-OAHLLOKOSA-N 403.460 1.474 30 10 HDEE COC(=O)[C@@H](OC(=O)CNC(=O)c1ccc(OC)c(OC)c1)c1ccc(C#N)cc1 740182797 FPFXLEJZUPSGGT-IBGZPJMESA-N 412.398 1.763 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)CN(C)C)cc2)cc1C#N 747499149 WVHHPIPOVSJJRZ-UHFFFAOYSA-N 409.446 1.322 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 755189946 MKEZRCIGFPAASE-XOBRGWDASA-N 424.498 1.100 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)OCC3CCC(C#N)CC3)cnc21 755967187 YZWQKRNJPPEWQO-UHFFFAOYSA-N 408.256 1.766 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C1CCCC1 756910926 DXLXRRCRHQYHRY-UHFFFAOYSA-N 419.547 1.832 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)CC1=O 760409949 YAEYZWZPVDTJGZ-OAHLLOKOSA-N 419.503 1.968 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)CC1 763210698 HSPQPLQHSQWKDT-IBGZPJMESA-N 414.506 1.234 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)C2CN(C(=O)OC(C)(C)C)C2)cc1 764384025 GSSXWCAGOBGKDQ-UHFFFAOYSA-N 421.519 1.680 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 764994900 UKAUNPIILODSGN-HNNXBMFYSA-N 423.564 1.857 30 10 HDEE C#CCN(C(=O)c1cc(COc2cccc(C(C)=O)c2)on1)[C@@H]1CCS(=O)(=O)C1 770692753 BJZYSCSAUSUPNF-MRXNPFEDSA-N 416.455 1.719 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N(CCc2nnnn2C)C1=O 771545336 UORAUKCVTJFOLP-GFCCVEGCSA-N 407.887 1.174 30 10 HDEE Cc1cnc(N)c(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)c1 773230045 AIEOEPPYIJDVGB-PGMHBOJBSA-N 423.520 1.586 30 10 HDEE Cc1c(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nnn1Cc1ccc(F)cc1 774027341 AZDMZZOVHOEJNN-UHFFFAOYSA-N 413.434 1.905 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccc(C#N)c(O)c1 785536280 DQELHYDVFBXZAY-UHFFFAOYSA-N 402.451 1.415 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 788819194 VBXOWCXJROJXDD-MRXNPFEDSA-N 403.504 1.699 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802551764 XMKPRKUYQPIOKU-LJQANCHMSA-N 416.493 1.673 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)n1 807459003 NLGJMGSFDWGKMY-GOSISDBHSA-N 416.526 1.355 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccc(F)cc1 812749003 ZDAFRFQHYPZLKH-GOSISDBHSA-N 418.494 1.759 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1 813981737 IPVKNKPWQZPBRX-LLVKDONJSA-N 406.370 1.089 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=Nn1c(S)nnc1CSc1ccccc1 814902082 MFMRDAZHGLCQME-UHFFFAOYSA-N 423.549 1.592 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NOCc1ccc(F)cc1Br 814909683 MLJVQMKYFXANHR-UHFFFAOYSA-N 405.249 1.990 30 10 HDEE N#CC1(CC(=O)OCC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CC1 815414772 PUVHTKQIYIJFNH-RIYZIHGNSA-N 414.443 1.471 30 10 HDEE CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCN(O)C2=O)[C@H]1c1ccccc1OC 816693936 VTYRAYYRDAEGDQ-FRQCXROJSA-N 403.479 1.881 30 10 HDEE Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 838809372 NZVUZVLVIOGAAU-UHFFFAOYSA-N 410.462 1.815 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H](c2cnn(C)c2)C1 849513248 AZZXKAGRMZQTIW-RBUKOAKNSA-N 410.497 1.815 30 10 HDEE CC[C@@]1(C)NC(=O)N(CC(=O)O[C@@H](C)C(=O)N(C)C2(C#N)CCC(C)CC2)C1=O 913708419 HXTADCSXILNSCP-YDQHMYHOSA-N 406.483 1.569 30 10 HDEE COCCOCCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 920360338 WZZNHCKQZMJUOP-QGZVFWFLSA-N 416.503 1.821 30 10 HDEE C#CCN(C(=O)[C@H](OC)c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 1125883101 IBFCQUNKWVEOJQ-IUODEOHRSA-N 400.294 1.786 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1 1129018873 DEHHMFWDNCOKFE-MRXNPFEDSA-N 415.490 1.783 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)n(C)c1 1131369987 GKXPRTAXYJWRIN-UHFFFAOYSA-N 416.503 1.583 30 10 HDEE CCOCCOC[C@@H](O)CNC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1139766367 OEQZOYNKFPRSJR-KRWDZBQOSA-N 407.316 1.438 30 10 HDEE C/C=C/[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1144428987 IZTDETYXDLAWGC-CUIBQTTCSA-N 418.494 1.688 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCOC[C@H]3C#N)nn2)CC1 1146516430 CXHXFFUODNOSLF-LSDHHAIUSA-N 404.471 1.605 30 10 HDEE COC(=O)C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1148312732 BMBNVZGWJKFTJL-HNNXBMFYSA-N 422.279 1.547 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1150543906 NOSUBABNUIJUIM-QXKUPLGCSA-N 401.429 1.715 30 10 HDEE C=CCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1154100433 GTOKJSYZOYWJML-AEFFLSMTSA-N 412.577 1.969 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)cc1 1156458528 NWFQTSFADUEHFZ-QXAKKESOSA-N 424.519 1.186 30 10 HDEE C#CCN(CC(=O)Nc1cccc(CN2CCNC(=O)C2)c1)C(=O)OC(C)(C)C 1159485197 GWCGZFXNGRMMAS-UHFFFAOYSA-N 400.479 1.427 30 10 HDEE CO[C@H]1c2ccccc2C[C@H]1NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1162017474 FATJQZNOCITLPF-ZLXGRDSLSA-N 413.499 1.932 30 10 HDEE N#Cc1ccsc1N1CC[C@@H](N2CCc3c(cccc3S(N)(=O)=O)C2)C1=O 1175630390 CSHXQQAREVEFDZ-OAHLLOKOSA-N 402.501 1.431 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3cc(C(=O)OC)ccc3C2)cc1 1176397566 GWCREFFWRILMMU-UHFFFAOYSA-N 412.467 1.583 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1 1187163353 ABDUEWORSNVHCH-UHFFFAOYSA-N 413.565 1.840 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)CC1 1194066525 LDKFHCDFABWYPY-UHFFFAOYSA-N 418.512 1.515 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)c1 1212155146 AHGOOXKODQTBIZ-UHFFFAOYSA-N 410.492 1.547 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1212504149 DVTGVGOSWSUZHY-IUCAKERBSA-N 409.352 1.940 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ccccc2S(C)(=O)=O)C1 1233851348 GOKSNFKWKAPXSV-LSDHHAIUSA-N 422.507 1.648 30 10 HDEE C=C(C)[C@@H](NC(=O)N1CCC(NS(=O)(=O)NC)CC1)c1ccc(F)c(F)c1 1234554726 DHADWYMYOPWNIJ-MRXNPFEDSA-N 402.467 1.810 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(CN3C(=O)c4ccccc4C3=O)CC2)C1 1248677449 ZYLXBPUFMHZYIW-GOSISDBHSA-N 408.502 1.802 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1251792253 NBXBQOYZXMWKSD-ZWKOTPCHSA-N 403.479 1.649 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)Cc1ccc(C(F)(F)F)cc1 1252627656 XLHQQRBRVCSQOX-KSSFIOAISA-N 412.412 1.934 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1252760848 OVIWPPTVPPKTSK-UHFFFAOYSA-N 407.414 1.693 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)NCC#C[C@@H]3CCCCO3)CC2=O)C1 1256125045 OTWGMVVVBQNJPR-RDJZCZTQSA-N 420.510 1.078 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)CC1CC1 1286370873 AUUVQDBKTDHEDD-UHFFFAOYSA-N 402.476 1.568 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCN(C)CC1 1286376062 DWGIKODWPBDRNJ-OAHLLOKOSA-N 411.597 1.077 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1286381632 NZRKYUYBJLJMHH-UHFFFAOYSA-N 401.442 1.348 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)N1CCN(CC)CC1 1286408692 JTLQHZCZXJLAAG-FQEVSTJZSA-N 405.550 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC 1286432070 WWHBCPXWYBPXLJ-MSOLQXFVSA-N 405.568 1.373 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCNC(=O)c1ccco1 1286465464 NYSCMNIXRWMYEJ-MRXNPFEDSA-N 401.467 1.629 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(C)(C)CN1CCOCC1 1286778459 FJQNULGCJBNZGE-ROUUACIJSA-N 407.559 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1286816288 FASKJJNVMXBGMU-OWCLPIDISA-N 409.556 1.449 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1288214379 YKQAVAUKASMDAQ-QGZVFWFLSA-N 423.521 1.692 30 10 HDEE Cc1c(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cnn1CC(C)C 1289245525 KCRALVNDRIYROE-OXJNMPFZSA-N 414.489 1.880 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@]23CCC(=O)N2CCS3)n1 1292624443 BEWUZPODELJODT-MRXNPFEDSA-N 422.561 1.804 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCOC(C)(C)C 1298744450 ZMDLXZPKFOTGLR-UHFFFAOYSA-N 420.539 1.617 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1300506622 WQFZBXNKGPLTQB-UHFFFAOYSA-N 420.473 1.494 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1301048558 NSMPRHOQSNRCTP-INIZCTEOSA-N 421.498 1.815 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](F)COC 1301077797 SPWLYECPLIGVPL-IDCNUPLLSA-N 422.505 1.163 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301223611 ZMMBKGGYINEEJW-GPMSIDNRSA-N 410.540 1.531 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1301498550 QJIFLQSNGRFZKE-OAHLLOKOSA-N 402.543 1.835 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)n2)C1 1301558436 VQBWWOAXEVTMPQ-AEFFLSMTSA-N 401.515 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)N(C)[C@H](C)c1ccccc1 1301568034 BWRIMIPTQLETSJ-MRXNPFEDSA-N 419.551 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](NC(=O)CC)C2)nnc1C(C)(C)C 1301596499 QJJKWTNEHWPYDW-HNNXBMFYSA-N 411.572 1.671 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccc(F)cc2)c1 1301768705 UNZMEQIPAOZTOM-HXUWFJFHSA-N 404.463 1.461 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCS(C)(=O)=O)CCOC1 1301955889 BGCFFZNTULUSKH-QAPCUYQASA-N 413.544 1.349 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1 1302923707 CYNQKFRMKMEHBK-UHFFFAOYSA-N 407.439 1.524 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCSCCCO)CCO1 1303001529 CISHRTLDASSVFO-INIZCTEOSA-N 418.479 1.698 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1ccc(S(C)(=O)=O)nc1 1303547088 XFCDTNYACXDFMA-UHFFFAOYSA-N 412.475 1.265 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn12 1303589283 KQJVCTYMJYRPQT-CYBMUJFWSA-N 405.418 1.659 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OC 1303684982 DOYSPXOQSYCAKM-QGZVFWFLSA-N 424.457 1.844 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1306244620 CFPDIKURMQWZSW-CVEARBPZSA-N 416.432 1.956 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(O)nc1 1306886078 ATMMWZFSXBIEQC-OAHLLOKOSA-N 417.491 1.138 30 10 HDEE COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nnc(-c2ccccc2)c1C#N 1307404251 CGJAWFWGBAXEIG-SFHVURJKSA-N 401.426 1.943 30 10 HDEE C#CCC1(NC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CCOCC1 1313279369 DXDOLSAHXZZLNO-UHFFFAOYSA-N 408.543 1.847 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)cc1 1315393988 AXNUYBXYUVXOQT-UHFFFAOYSA-N 420.477 1.847 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1315815722 NVRIMJIULFWSNT-QZTJIDSGSA-N 416.457 1.143 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CC[C@H]2COCCO2)CCO1 1316540303 JFPJHNGMELNJBX-DLBZAZTESA-N 401.442 1.542 30 10 HDEE CC1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)CC1 1323596876 XOLLETKXGUGIMK-KRWDZBQOSA-N 421.519 1.868 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC(O)(Cc2ccccc2F)CC1 1343993782 HGFXBLUNUIESFI-HNENSFHCSA-N 416.453 1.431 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)c1 1357659057 JUTXAJOOQAXHJA-UHFFFAOYSA-N 423.477 1.318 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358960602 ICWFXOZGKAGQTR-IRXDYDNUSA-N 416.551 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358993625 SIVGEMUYYJNTMK-QZTJIDSGSA-N 419.551 1.264 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCn1cncn1 1359015466 URFXEQWPSCHSGB-UHFFFAOYSA-N 410.457 1.487 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1359015596 YSNQUFLHLPKYJO-OKILXGFUSA-N 415.502 1.080 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccnc1-n1cccn1 1359025012 ZZNDWDAASRJQLY-SFHVURJKSA-N 407.478 1.497 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2snnc2C)CC1 1359028412 RFNAQRAFTWYQQJ-UHFFFAOYSA-N 416.555 1.160 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N[C@@H](C)CC)CC1 1359034958 HQWGURSXNYZPCK-ROUUACIJSA-N 402.543 1.232 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359049474 PUZJBXGLLRAKSE-KKUMJFAQSA-N 415.585 1.116 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1359132065 MAOCDTUVNYJZCO-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C(C)C)CC1 1359329989 BOIOVHWFCCDPIQ-UHFFFAOYSA-N 404.540 1.471 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1360124039 PZJGHKJIPRGFIV-GOSISDBHSA-N 400.523 1.933 30 10 HDEE Cc1cc([C@@](C)(O)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1360998675 GOHFNYMTGWMHKZ-UZLBHIALSA-N 411.466 1.525 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 1436960968 PQCYYXISOLWPOD-GXSJLCMTSA-N 408.203 1.689 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 1462382866 XOILVPUDXNMRNW-KRWDZBQOSA-N 400.504 1.572 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 1464246750 CNOMQOOOQCIVSF-UHFFFAOYSA-N 400.460 1.682 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1464772461 OSYLQOUDCKOIHH-OALUTQOASA-N 406.504 1.842 30 10 HDEE Cc1ccc(C(=O)NCCN2C(=O)CCCC2=O)cc1B1OC(C)(C)C(C)(C)O1 1465334641 NDHGXLCPDTUEIV-UHFFFAOYSA-N 400.284 1.563 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2C[C@@H]2CCOC2)C1 1469727887 CQCGSPFFXLHXEW-LUKYLMHMSA-N 408.499 1.582 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nc(CO)n[nH]1 1470348199 ISPFRNKVZCCLHX-UHFFFAOYSA-N 410.228 1.025 30 10 HDEE Cc1cc(Br)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1Cl 1470360104 CHUAWDYVCOYLFF-UHFFFAOYSA-N 411.643 1.975 30 10 HDEE C#C[C@@H](NC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O)c1ccc(Br)cc1 1470663081 KLVNQEWQMDODSJ-JKSUJKDBSA-N 420.307 1.796 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OCC)[C@@H](O)c3cccnc3)cc2C1=O 1471076527 TYZKDUQDUKZQLR-ROUUACIJSA-N 423.425 1.259 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](Cc2cn(Cc3ccccc3)cn2)NC(=O)OC(C)(C)C)C1 1472246399 BGDKVUMJXBQEOB-IBGZPJMESA-N 424.501 1.574 30 10 HDEE CSc1ccc(CNC(=O)N2CCC(N3CCCS3(=O)=O)CC2)cc1C#N 1479317209 JUZYLWJLFVPTIZ-UHFFFAOYSA-N 408.549 1.990 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C2CC2)C1 1507564923 ZHUJYRZDYMFJAM-QZTJIDSGSA-N 421.567 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1507652631 ICTVFSCFKVCASA-UHFFFAOYSA-N 420.521 1.003 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(Cl)nc2)CC1 1507720036 RISAQVQJHKBSCI-INIZCTEOSA-N 418.929 1.854 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(OC)C1CC1 1507764332 LGWGTIYJYYVEIO-KYNGSXCRSA-N 409.556 1.696 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(C)C)C1 1508091935 PNJAOCFDTLMQKH-HOTGVXAUSA-N 409.556 1.355 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@](C)(O)c2ccco2)C1 1508109207 PIKOWWMWRODFJX-HRAATJIYSA-N 415.494 1.796 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 1508135660 MXPZVIBPCABRQP-UHFFFAOYSA-N 406.434 1.576 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C[C@@H]1C 1512407673 NFGNDMYRYBMIDB-HOTGVXAUSA-N 417.535 1.970 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@](C)=O)CCC2)CCOC1 1516127548 BDJACAYIMWXDIO-AMRNQMKZSA-N 409.556 1.827 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1518766387 NKAKCRMVPQCOFR-DLBZAZTESA-N 415.473 1.707 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1519451331 WFFLOGCVUNVRLX-HZMVEIRTSA-N 405.499 1.546 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)C[C@@H]1O 1520623104 NMDPZFKXGITVAO-APWZRJJASA-N 411.506 1.955 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O 1527787341 KDWGWQKNEFKSAO-UHFFFAOYSA-N 413.474 1.129 30 10 HDEE C#CC[C@@H]1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1530087159 WYHMVBUHLWTGOQ-MRXNPFEDSA-N 406.504 1.130 30 10 HDEE C#CCN1CCC(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CC1 1532987761 RYJOPMGPNPQEFU-UHFFFAOYSA-N 424.589 1.819 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1539139709 MXRQRMBMPVRFSP-UHFFFAOYSA-N 413.526 1.608 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539202658 JYGHTRZXSZSUOP-NVXWUHKLSA-N 404.540 1.623 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc2ccccc12 1539240161 YLFZFEXLIATFDD-OAHLLOKOSA-N 411.487 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCn1c(O)nc2ccccc21 1539291470 QPJSZGMPBBHUJF-UHFFFAOYSA-N 419.489 1.635 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1539539751 YBYZEJARTWSYFO-AUUYWEPGSA-N 419.555 1.279 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCN(CC)CC1 1539668117 SXBILAWXRYKJTL-RTBURBONSA-N 417.602 1.905 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1539772202 FQVGNPVSABZQAC-SFHVURJKSA-N 401.858 1.394 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnnn1C 1540138022 YMGBTIORESKZAC-KRWDZBQOSA-N 410.457 1.738 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(S(C)(=O)=O)CC3)n[nH]2)c1C 1540649351 UDHXNQOGTPTFQJ-UHFFFAOYSA-N 406.512 1.230 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC(C(N)=O)CC1 1540874065 UKYXDANJJWZABC-UHFFFAOYSA-N 410.522 1.457 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)c(F)c1 1542698912 CTMFRUHXDMGLIS-UHFFFAOYSA-N 408.393 1.239 30 10 HDEE C=CC1(CC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CN(C(=O)OC(C)(C)C)C1 1543791102 VVNZWJZAFOJUHY-UHFFFAOYSA-N 416.478 1.653 30 10 HDEE Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)C2 1544572690 VGCXHKMHVJSLIB-OYHNWAKOSA-N 405.458 1.866 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1nncn1C 1545533188 FKQPFEJXDXNXMS-OAHLLOKOSA-N 406.498 1.562 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCC(F)F)CCOC1 1547891050 ADHRPSAZZVEMEH-IAGOWNOFSA-N 403.405 1.654 30 10 HDEE CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1558299884 RBDUEUIQWKTFAD-GDBMZVCRSA-N 422.445 1.570 30 10 HDEE C#CCNC(=O)Cn1cc(C(=O)OCC)c(=O)c2c(F)ccc(Br)c21 1559453149 QAVKYOMYOOPKDG-UHFFFAOYSA-N 409.211 1.829 30 10 HDEE COC(=O)c1ccc(Br)cc1S(=O)(=O)N1CCN(CCC#N)CC1 1561846203 BFAGOQRNMRVOGI-UHFFFAOYSA-N 416.297 1.456 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N(C)C2CCCC2)CC1 1562500601 RAGUZNXOSWFTNS-UHFFFAOYSA-N 419.551 1.683 30 10 HDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1583343343 UOEJSYKKPKNIOD-MSOLQXFVSA-N 405.520 1.089 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1583772893 SDTLZEICKGPPIR-LJQANCHMSA-N 407.536 1.674 30 10 HDEE N#CCOc1cccc(OC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1584858256 NFHQCZGKEPPZOW-UHFFFAOYSA-N 402.428 1.829 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2CN(C)CCN(C)C2)nc1C 1585261887 RSQDLRCYKMRMOM-UHFFFAOYSA-N 407.569 1.617 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)C1 1586957984 CFGWFIIDDCKHJS-CYBMUJFWSA-N 424.548 1.525 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1588054456 NQGYYFNOFCAJCK-SJORKVTESA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H](C)N1CCOCC1 1588143781 HYQLSKUPWIACDZ-QGZVFWFLSA-N 413.472 1.941 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccco2)N(C)C)CC1 1588800727 NSHUDHAORLMKPI-GOSISDBHSA-N 408.510 1.330 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](C(=O)OC)C1 1589088671 FANRYBPCWAYBOE-CQSZACIVSA-N 405.549 2.000 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1593758457 ZRIXWEWVOUIWQR-HXUWFJFHSA-N 423.521 1.959 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594615541 JMMAXQAWAVVNOE-QGZVFWFLSA-N 415.542 1.923 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1598193642 HATDMLHLSAVWFR-OLZOCXBDSA-N 410.920 1.294 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1614470814 VCBHSDQWUKYQIO-APWZRJJASA-N 424.571 1.931 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)CCOC1 1616260581 DKRYVHDACIFTMK-MAODMQOUSA-N 419.526 1.600 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1617312451 FABGSFBUBUWDIE-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)CN1CCN(C(=O)CC#N)CC1 1618010201 CQNYVPYPJOTNMT-UHFFFAOYSA-N 413.261 1.776 30 10 HDEE CN(C[C@H](O)COc1ccc(CC#N)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1620502556 HXNJRBSCJMZEPT-MSOLQXFVSA-N 407.511 1.652 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 1622584233 DHORSBBNPPLEIK-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)CCCOC1 1624826815 PAFGNMFDJHPZMO-UTKZUKDTSA-N 401.463 1.297 30 10 HDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N[C@H]2CCN(O)C2=O)c1O 1624906706 QXTATIXFEXOOSK-INIZCTEOSA-N 409.398 1.217 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(S(C)(=O)=O)CC3)C2)C1 1626762629 QKYYIHBQXCILJD-TXKKKEFDSA-N 411.524 1.467 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1627800517 XDGZPNSJKCOYEQ-INIZCTEOSA-N 421.404 1.726 30 10 HDEE Cc1csc(NCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1629476338 OVVZONSVOQRLOU-OAHLLOKOSA-N 412.475 1.757 30 10 HDEE C#Cc1cncc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2NCC)c1 1631166602 PXUDWMLOMHUACT-UHFFFAOYSA-N 414.487 1.768 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1631744244 DRLAUJMRAGUGHR-INIZCTEOSA-N 423.498 1.496 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 1632073999 FTMIHPDHGHBAIP-MDZDMXLPSA-N 400.475 1.994 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 1632646916 FLMSLBSSCQSPHN-JSRQGNBESA-N 408.495 1.977 30 10 HDEE C#CCC1(O)CCN(C(=O)Cc2ccc(S(=O)(=O)CC(F)(F)F)cc2)CC1 1633140408 BXAFJQPWVKDXNF-UHFFFAOYSA-N 403.422 1.942 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1633897719 GWVJJRQVTLWENR-XYPHTWIQSA-N 416.478 1.444 30 10 HDEE C#CCn1cc(CNC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)cn1 1635749630 OSPCADNNGGJRNV-ZDUSSCGKSA-N 405.436 1.185 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1636664144 BVLOOFKKEXSHJF-NQIIRXRSSA-N 400.475 1.525 30 10 HDEE CC(C)(C)Cn1c(O)nc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c21 1637514456 UIBHWDMOVKOZNU-UHFFFAOYSA-N 422.445 1.619 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@]1(CO)c1ccccc1 1637630335 HBMJAUNARJALIU-NRFANRHFSA-N 413.499 1.625 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](O)(CC#N)C1 1638967552 BOKXFKGTELLEAU-XMSQKQJNSA-N 416.522 1.889 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 1639520743 CPFWGJTVWJVDFJ-CQSZACIVSA-N 415.471 1.363 30 10 HDEE Cn1c(=O)[nH]c(NCc2cc(Cl)cc(I)c2)c(C#N)c1=O 1640063026 BLRDHEKHJFFXMC-UHFFFAOYSA-N 416.606 1.815 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC#C[C@H]3CCCCO3)CC2)cc1 1640380312 DPSFUGJLIYTGNZ-RJRNSMGGSA-N 411.502 1.589 30 10 HDEE CC(C)(C)OC(=O)N1CCC=C(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1640636667 KXQCPTXJHHOZOL-UHFFFAOYSA-N 415.450 1.161 30 10 HDEE CON(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@H](C)C(=O)OC(C)(C)C 1643867005 QHJJEJDQNGCFTF-QWHCGFSZSA-N 411.480 1.345 30 10 HDEE Cc1oc(NC(=O)[C@@H](C)N2CCc3sc(S(N)(=O)=O)cc3C2)c(C#N)c1C 1643897670 CANJUJMUCFYPDV-SNVBAGLBSA-N 408.505 1.862 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)CCOC1 1645841424 JLFCQIALCOGXJB-JOCHJYFZSA-N 423.473 1.142 30 10 HDEE C#CCN1CCC(C(=O)N[C@H](CO)c2ccccc2I)CC1 1648537041 LPTGMNGLTULQSN-MRXNPFEDSA-N 412.271 1.786 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@H](CO)[C@H](O)c2cccnc2)cc1Br 1648705384 UBLKRFYMYYURDP-NVXWUHKLSA-N 406.236 1.305 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CC1 1654113048 BIIGASJZOQPODC-SFHVURJKSA-N 402.520 1.433 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)ccc1Cl 1654857102 UBQYCCDTQGGBSX-INIZCTEOSA-N 413.927 1.377 30 10 HDEE COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1656344634 XIPQOQOIRGGGCW-ZJNRKIDTSA-N 411.911 1.854 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)C2(C(=O)OCC)CCOCC2)c1 1660421131 BQVAGYHRFNIPJG-HNNXBMFYSA-N 401.463 1.654 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1662998034 IPUOJRLSAPQHBQ-QKVFXAPYSA-N 409.327 1.515 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC)C1CCOCC1 1664579957 MPCKGWZOCYGLLM-HNNXBMFYSA-N 414.911 1.757 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N[C@H]3Cc4ccc(C#N)cc4C3)cc2CC1 1665104561 DDAAGEWRXOKGHC-NRFANRHFSA-N 409.511 1.951 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C(C)C 1665150128 TZMZEEUTSFXHAS-INIZCTEOSA-N 409.508 1.886 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1673922347 ICDANMGNFNHFSL-MSOLQXFVSA-N 405.495 1.151 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1676593847 DPRCQXGRXMJELU-HNNXBMFYSA-N 409.450 1.303 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@H]12 1676809665 NBOZYDNSXKFXHS-LLXLFFRUSA-N 400.523 1.285 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)CC1 1677216395 OJJAPHDGVIJVLA-OAHLLOKOSA-N 412.512 1.157 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2cccc(OCCN3CCOCC3)c2)CC1 1677458527 IMVVMSVWXPUTIK-UHFFFAOYSA-N 401.507 1.457 30 10 HDEE C=CC[C@@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1681307994 NNXNUSFUNHACLV-YJBOKZPZSA-N 409.552 1.852 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1682423291 MCCPAPXRDRIHBV-KGLIPLIRSA-N 401.529 1.627 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1683130676 MVIIOTZYUPMMGY-GOSISDBHSA-N 407.536 1.864 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)CC1 1683180718 ARBQAEKBVJOSAD-DLBZAZTESA-N 402.520 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(OCCN(C)C)c1 1689861684 YZLUTXDNUFLSTR-GOSISDBHSA-N 424.549 1.847 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1690020129 ZFQXKIHLUKMOAY-MOPGFXCFSA-N 417.579 1.375 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](OC)C(C)(C)C)CC1 1690131424 ZILFWLPNTPMLLK-QGZVFWFLSA-N 402.543 1.217 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690245290 GOMYXVDVKLJDRQ-DZVNLGKHSA-N 424.567 1.369 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1690265047 JEJWZLFLBHWBNR-ZWKOTPCHSA-N 423.583 1.841 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1690299260 LDIHPUYUEBOBCQ-GOSISDBHSA-N 420.558 1.168 30 10 HDEE C[C@@H]1CCC[C@](Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)(N(C)C)C1 1693625718 FBFQDYAXUVONEW-LZJOCLMNSA-N 410.526 1.974 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1697925779 BBEKYKRBAOOPHR-LVCYWYKZSA-N 415.494 1.454 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1698004867 FDTILHYLGFRIPR-PKOBYXMFSA-N 424.505 1.822 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCCOC2)CCO1 1698492176 CCELGDHVZPFKQR-LSDHHAIUSA-N 416.507 1.425 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)COC)CC1 1705540333 VIDFKJQQNBNPND-IEBWSBKVSA-N 417.554 1.905 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1705583417 XUYGGJGWPHOJFW-LAUBAEHRSA-N 412.515 1.161 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2c(CC)noc2C)CC1 1705641290 ZBKZYCNLCMQPOU-UHFFFAOYSA-N 405.506 1.926 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1705659734 FBMYYMHQNONFMV-QGZVFWFLSA-N 405.568 1.843 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1705684907 GWLJRIKUWZVPSC-CQSZACIVSA-N 422.331 1.801 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCOCC1 1705718783 ALFHYUWGHSCMSD-UHFFFAOYSA-N 404.515 1.085 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1705875692 CGYJELQRWXTKPX-OAHLLOKOSA-N 409.556 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C)[C@H]1C 1705936617 VBJIGQJTFNIOLU-RRFJBIMHSA-N 416.569 1.016 30 10 HDEE C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N)N(C)C 1706792194 HFLHQHZXSWRYIZ-GJZGRUSLSA-N 418.571 1.927 30 10 HDEE C[C@@](O)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1706902603 CZFSRAOJFAFOKD-IFXJQAMLSA-N 416.507 1.098 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1712459782 TXSSFMIXBOFZCE-SQGPQFPESA-N 405.499 1.834 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722338128 DKSBKULYAZJDME-QGZVFWFLSA-N 419.555 1.071 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccccc1)OC 1722341902 GGBIFYGZYHEINI-WBVHZDCISA-N 405.524 1.215 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722409128 GLHWQDXUWPFKKY-LJQANCHMSA-N 409.538 1.742 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)CC1 1722434724 VCEXQAITTBUYTI-UHFFFAOYSA-N 423.855 1.130 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@H]2C[C@@H]2C)CC1 1722440381 DWOUBNSOUVMGHP-YOEHRIQHSA-N 400.527 1.743 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1722639862 HQKOOBRRKBJVQP-GOSISDBHSA-N 413.478 1.662 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(Nc2cc(OC)cc(OC)c2)CC1 1722688662 IKESBPKFFDZJCE-UHFFFAOYSA-N 414.510 1.987 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCOC2)C1 1722714639 JBFAMQDOZGYXKE-NQIIRXRSSA-N 400.479 1.886 30 10 HDEE CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1723635322 VYXSIFJSSGGAGM-UHFFFAOYSA-N 422.537 1.739 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1723868523 HKQHTBZMZJPURB-QGZVFWFLSA-N 407.522 1.827 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCOCC1 1729585769 RHCXTLGOMKUDSV-HXUWFJFHSA-N 401.490 1.838 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)c1 1730232207 FJMYANXFJDJDTA-SFNQZPIRSA-N 415.519 1.984 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCOC2CCOCC2)CCO1 1731190994 XBHBACDHMHUNOR-MSOLQXFVSA-N 405.499 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cc(C)cn1 1740609835 UCKLHDVEFUBGQE-UHFFFAOYSA-N 416.489 1.949 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740629316 JCPNOKYABBFFLS-QBPKDAKJSA-N 408.524 1.181 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1740685579 OGWIVNXVVDARQU-UXHICEINSA-N 418.586 1.284 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740881009 UILMOVRWDKGEQR-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1740887662 LBYQEJIWOINRBB-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1740941474 LUNLLXJIQOEZJZ-KRWDZBQOSA-N 409.556 1.081 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1 1741123836 BMDIWQCAALHJIC-NWDGAFQWSA-N 414.923 1.034 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1743408311 ZZVBZPGJHLKUMH-QZTJIDSGSA-N 421.505 1.590 30 10 HDEE CCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1745482532 HJVBKDYMTRWTHU-QGZVFWFLSA-N 414.514 1.498 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@@H](C#N)C2)C1 1748049930 FZTYOBALXBBUOS-IFXJQAMLSA-N 420.876 1.533 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@](C)(O)C1CC1 1748794835 NENNOOWQHDVQDE-DEOSSOPVSA-N 422.577 1.873 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)OC)CC1 1748977617 JKPVNIODKNUQQL-NRFANRHFSA-N 405.543 1.499 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1748989112 FQNWFXCQOGBGAN-UHFFFAOYSA-N 420.561 1.956 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1 1749126789 GSWSPVXJTMXMPE-APWZRJJASA-N 413.526 1.752 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749268666 FDHGZIOXVRSGGM-HZPDHXFCSA-N 422.961 1.714 30 10 HDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N(C)C)CC1 1749345980 ZFKRVLLKBMSNJR-UHFFFAOYSA-N 424.596 1.928 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1749353495 UPOGMFMTYKKGRV-LSDHHAIUSA-N 423.470 1.062 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCSCC1 1749590145 PYWHIOPOTOLLCS-UHFFFAOYSA-N 408.572 1.202 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749690367 WIPOHBDBABFDHR-INIZCTEOSA-N 419.551 1.924 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](CCC)OC)C1 1749713728 XILCJFOCBACVOG-BRWVUGGUSA-N 412.556 1.777 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(S(=O)(=O)CC)CC1 1760128984 AVAVPIHBAWDLNX-UHFFFAOYSA-N 409.556 1.623 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1760192923 ZRGBFVHUXGJFMZ-IEBWSBKVSA-N 416.547 1.725 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1760193023 RHQNKYLSFVBUJV-INIZCTEOSA-N 404.492 1.195 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)c1ccccc1F 1760201935 NWPFRSHAVRRHMN-SFHVURJKSA-N 408.481 1.968 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1760206127 RHPQYSIMHBZXTA-VQTJNVASSA-N 423.517 1.830 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1760207048 VSXGJNRYELJLOL-UHFFFAOYSA-N 410.522 1.312 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1760351969 NRWZVUHCRWTDQG-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1760359557 HTOSBABYIYMSAM-UHFFFAOYSA-N 401.515 1.434 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760373929 FJMWQKIKIDENQY-AWEZNQCLSA-N 417.901 1.355 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1760465044 VJGHZBNVBKONOF-MRXNPFEDSA-N 424.527 1.140 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760506367 LASWNMZICZCGAE-OLZOCXBDSA-N 405.421 1.693 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760520219 GKSWOFUQVLHZQH-MRXNPFEDSA-N 413.526 1.328 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1760548186 ZXMGPNVNOSQSSM-YESZJQIVSA-N 410.540 1.736 30 10 HDEE CCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1764723927 ADHGPVSPAUADIU-MSUUIHNZSA-N 401.496 1.616 30 10 HDEE CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccc(C#N)cc1 1767818615 PCIIJWCVKPTDRN-HKUYNNGSSA-N 412.494 1.646 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCC[C@@H]1C 1767863331 GFHWTIHTYPTTSB-HNNXBMFYSA-N 411.510 1.834 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1769530945 VCUXVAXJFVNPTM-JOCHJYFZSA-N 424.505 1.870 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)N1CCC(C)CC1 1770049620 DVBSPNXODIJTGW-OTWHNJEPSA-N 420.558 1.851 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1770058347 HKRAPGGHMASRQB-MGPUTAFESA-N 417.466 1.511 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1772842554 ZQAFJPOESKKATJ-ZSEKCTLFSA-N 420.477 1.668 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)CC2)CC1 1849069587 LTFDJRJSTYKODH-UHFFFAOYSA-N 408.458 1.283 30 10 HDEE C#CC[C@H](F)C(=O)NC1CCN(C(=O)c2cn(-c3ccc(F)c(C)c3)nn2)CC1 1850539531 RGXWONLCFCIUFO-KRWDZBQOSA-N 401.417 1.797 30 10 HDEE COc1cccc(OCC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1 1851257414 PYJYSUFQHDHNNL-UHFFFAOYSA-N 406.446 1.603 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)CCn3nc(-c4ccccc4)ccc3=O)CO2)nc1 1851426075 WZGZVDJZXMAVED-SFHVURJKSA-N 417.425 1.931 30 10 HDEE CCCn1c(C(=O)Nc2c3c(nn2CCC#N)CCC3)cc2c(=O)n(C)c(=O)n(C)c21 1851675521 KJPVUUPYVIWVSZ-UHFFFAOYSA-N 423.477 1.300 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@@H](n2cnc3ccccc3c2=O)C1 1853548061 SPWNOODXNZZVSD-MRXNPFEDSA-N 422.489 1.626 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1853746119 GQTXWRQFQVFISN-MRXNPFEDSA-N 421.494 1.600 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(C[C@@H]3CCC(=O)N3C)c3ccccc32)CC1=O 1854057458 QGKBKSFIQZDPEO-HOTGVXAUSA-N 410.474 1.022 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(Cc4ccncc4)C3)CC2=O)cc1 1854231369 WCHQHVPIZMTOKX-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)CCn2ccnc2CC)C1=O 1854249351 UTQQMEIKULNQEI-ROUUACIJSA-N 415.538 1.462 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccc(OCC)nc2)C1=O)[C@@H]1CCN(C)C1=O 1854303169 VZSFSTNPAHIUNX-ZWKOTPCHSA-N 414.506 1.720 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@@H]1C 1854310408 AJICIWDOZOWQAV-ROUUACIJSA-N 419.547 1.723 30 10 HDEE CC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854320010 AOMIVEFPGOINCM-WBVHZDCISA-N 418.519 1.038 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc(Cl)n2)C(=O)C12CCCCC2 1854421481 QVARKMBYTRUBGF-UHFFFAOYSA-N 410.883 1.576 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COCc2ccccc2)C(=O)C12CCCC2 1854487920 OLYPQGHVMSCOIW-UHFFFAOYSA-N 405.476 1.040 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCCN(C(=O)Cn3cccn3)C2=O)CC1 1854824899 PUCSMXABCHHRJO-LJQANCHMSA-N 406.490 1.937 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN([C@@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854956657 QMRVKDQGIQHGPH-IAGOWNOFSA-N 414.506 1.755 30 10 HDEE CCOc1ccc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1OCC 1855003976 YWTAFKYMKWNTHZ-SFHVURJKSA-N 414.506 1.756 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855666460 BJBSJTJPZYTILM-OLZOCXBDSA-N 421.391 1.446 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)[C@H]2COc3ccccc3C2)c2ccccc21 1855763796 UFTXFQRBVUHWEV-OAHLLOKOSA-N 411.439 1.471 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4ccccn4)CC3)CC2=O)CC1=O 1855992768 PCDBXRXASMWSFV-OALUTQOASA-N 410.518 1.703 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)C1(C)C 1856063139 BCIJZMMOLMEGPF-MRXNPFEDSA-N 401.511 1.022 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)CCN1CCC#N 1856178915 PYIVKWBLSWCHRO-GFCCVEGCSA-N 406.368 1.873 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1 1856455892 LWTHTEHGPBEPCT-LJQANCHMSA-N 415.515 1.731 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1856497271 ZNYNAKZBKAKPOX-QGZVFWFLSA-N 404.492 1.058 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC(c4nncn4C)CC3)CC2=O)cc1C#N 1856959025 XEETVZZNEOXXLB-INIZCTEOSA-N 406.490 1.864 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc3c(c2)OCO3)C1)[C@H]1CCN(C)C1=O 1857055623 GTLGBEITZOZQPF-RDJZCZTQSA-N 413.474 1.513 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(F)c(F)c2F)C1)[C@H]1CCN(C)C1=O 1857263500 HLCOJXHEONXIQV-DOMZBBRYSA-N 409.408 1.811 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857380606 FSQJJTUYJJIAGR-GOSISDBHSA-N 403.504 1.522 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1858334045 APMDAXFORFWGMM-KRWDZBQOSA-N 419.528 1.917 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858421765 DEZYHHKINFOIOC-INIZCTEOSA-N 413.455 1.994 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(OCC)c(OCC)c(OCC)c1 1861490115 MGWUXJZFIXGGSI-HZPDHXFCSA-N 406.479 1.760 30 10 HDEE C[C@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1F)N1C(=O)c2ccccc2C1=O 1870107177 WRPQZXKAMQAYDT-GFCCVEGCSA-N 418.388 1.960 30 10 HDEE C=CCn1nnnc1Cn1cc(NS(=O)(=O)c2cc(C)c(C)cc2OC)cn1 1871342916 PJLGRQGWRLAGJM-UHFFFAOYSA-N 403.468 1.530 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccccn1 1874433712 UMFFFMWTXNELBJ-LSFURLLWSA-N 413.463 1.193 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cc(F)cc(F)c3)CC2)CC1 1889324727 HFQJDVNUFAPULS-UHFFFAOYSA-N 405.489 1.766 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)CCc3c(C)noc3C)CC2)CC1 1890049675 SOALPNVWCIIEKJ-UHFFFAOYSA-N 416.566 1.873 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3cccnc3Cl)CC2)CC1 1890975202 NPSWYYAJOLHOQU-UHFFFAOYSA-N 404.942 1.536 30 10 HDEE C[C@H](C#CC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 1902010079 TWIATOZMAFRZGF-HUUCEWRRSA-N 423.510 1.486 30 10 HDEE Cn1ncc(Br)c1S(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1914901059 JCPOCXHERAGZSZ-CQSZACIVSA-N 424.324 1.581 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cscc1C#CCO 2066563857 IQHSYOYYWAAXHG-ZDUSSCGKSA-N 418.496 1.369 30 10 HDEE CCOC1(C#N)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2089783732 ZWBFOYKMWZONIT-UHFFFAOYSA-N 419.503 1.787 30 10 HDEE COC1CN(S(=O)(=O)Nc2cc(Cl)ccc2B2OC(C)(C)C(C)(C)O2)C1 2161948640 VBQTUBUHUMCLBF-UHFFFAOYSA-N 402.709 1.627 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C[C@@H](C)C1NC(=O)OC(C)(C)C 2174778790 BDXIUBMJNMTWKN-KFWWJZLASA-N 400.545 1.948 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827598 IJRTZLNAGOIEMY-CHWSQXEVSA-N 420.319 1.885 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCNC(=O)OC(C)(C)C)n1 2247916940 HKQCNSKBWORBSG-UHFFFAOYSA-N 422.335 1.799 30 10 HDEE Cc1nn(C)c(C(=O)N2CC(N(C)Cc3ccccc3)C2)c1B1OC(C)(C)C(C)(C)O1 2255629132 RIUXNSUAXZADNN-UHFFFAOYSA-N 424.354 1.984 30 10 HDEE N#Cc1cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccc1F 2270540417 OBOKPNBBFIEXFF-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282318406 FKFMLPKFBRTWDS-VXGBXAGGSA-N 403.331 1.048 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282408234 GMBJYWPDVHAFSV-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC(C)NC(=O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494814 CTOOLWVVBZUPLA-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282499834 GCAGVWWBRSYJFG-CQSZACIVSA-N 401.359 1.988 30 10 HDEE CC1(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CC(O)C1 2282504756 TYRXXHZUQPODQR-UHFFFAOYSA-N 401.721 1.831 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC(C)(C)CS(C)(=O)=O 2282585795 QDYBHCKJGSIMDB-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H](C)C1 2282825136 HGWABEBYXCJXAN-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@](C)(N)C2)OC1(C)C 2282843234 KHEYHUIUIWCMFK-QGZVFWFLSA-N 400.375 1.690 30 10 HDEE CC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)N(C)C 2282848943 UQPPWLCHEXQCRW-LBPRGKRZSA-N 402.347 1.192 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1N 2282853128 YPCOXTUVMYUOLA-BZPMIXESSA-N 400.375 1.794 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCCN(C)C)c1B1OC(C)(C)C(C)(C)O1 2282871928 NTWMNYAQFKVGJL-UHFFFAOYSA-N 402.391 1.894 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CC[C@H]2O)OC1(C)C 2282878919 MBDRDVPLLIPKIJ-SMDDNHRTSA-N 401.721 1.688 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C(=O)O 2284395633 NPYHNXFOIMUKRN-GXFFZTMASA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@H]3CC(=O)O)c2)OC1(C)C 2284404050 VVJBONYFBUUJQB-JQWIXIFHSA-N 401.315 1.579 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284412510 VYZCTBRZGSMQKM-UHFFFAOYSA-N 407.294 1.143 30 10 HDEE COCc1cc([C@@H]2C(=C(O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 2296927831 CLNWTLFHDMETPS-GOSISDBHSA-N 417.414 1.562 30 10 HDEE C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)C1)[C@@H]2[C@@H]3C(=O)OCOC(C)=O 2297672750 SEQNRAWXEHHXPO-ZYGLIGKRSA-N 416.470 1.670 30 10 HDEE CCOc1cc(C=Nn2cnnc2SCCO)ccc1OCC(=O)N(CC)CC 2321337120 NSTFEUHKWQBFQY-UHFFFAOYSA-N 421.523 1.891 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1 2342043132 HHJPMSAHAHDBBH-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE COC1(C#C[C@H](N)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363607638 CSALGXGYCCYQIN-JKSUJKDBSA-N 400.541 1.604 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](F)C3=O)c(Cl)c2)OC1(C)C 2365706828 HMNKQFMVCUKAJC-LBPRGKRZSA-N 403.668 1.898 30 10 HDEE CCN[C@@H](C#Cc1ccnn1C)[C@@H](O)c1ncc(I)s1 2367753933 MHIWBGHTAYNEIN-CMPLNLGQSA-N 402.261 1.544 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@](C)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796517 QFNUOEXEWHUUPS-IIDMSEBBSA-N 400.541 1.747 30 10 HDEE CN[C@H](C#C[C@@H](OC)C1CCCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369575927 QNESHUVEZRCGRH-IXDOHACOSA-N 402.557 1.721 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)C(C)(C)NC(=O)OC(C)(C)C 2375783445 BMPABHXSJHPKLL-FZKQIMNGSA-N 404.529 1.808 30 10 HDEE N#Cc1ccccc1/C=C/C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 10026242 JAMBXZNOLPRTMH-FNORWQNLSA-N 417.512 1.970 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)c1 10792591 MVVXUZCZZXURGP-UHFFFAOYSA-N 418.427 1.675 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCC(O)CC3)C2=O)cc1 96573486 LGERTRJSVVPEEA-OAQYLSRUSA-N 401.463 1.392 30 10 HDEE N/C(CN1CCN(S(=O)(=O)c2cc(Cl)c(Br)s2)CC1)=N\O 148391028 IAZXSLSVKKVTIC-UHFFFAOYSA-N 417.738 1.217 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](Oc3nccnc3C#N)C2)cc1 219949106 LNHRDRDUXNFSFB-INIZCTEOSA-N 414.487 1.753 30 10 HDEE C[C@H](NC(=O)c1cc(Br)ccc1I)/C(N)=N/O 235511876 ZWNIZGAPAXOWSM-YFKPBYRVSA-N 412.025 1.918 30 10 HDEE CC(C)(CNC(=O)CCCC(=O)Nc1ccccc1C#N)N1CCS(=O)CC1 432491612 CPSPXSXPZHBHJK-UHFFFAOYSA-N 404.536 1.626 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nc(O)c(C#N)c1C 439942269 KSGMJFYFFBHOMV-AHCXZYCDSA-N 415.446 1.160 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1 463083545 GWYVERSPMRCDJC-FXAWDEMLSA-N 407.470 1.912 30 10 HDEE COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 469883233 UXDHPZKKPUEFKF-ZOBUZTSGSA-N 405.476 1.211 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 471000711 IPDIJKSROPCQMR-HNAYVOBHSA-N 417.941 1.648 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(Br)c1 471899023 MXCHZBKDUFOZMJ-OAHLLOKOSA-N 417.281 1.929 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 474112405 HYMKMOVJNFMRKH-MRXNPFEDSA-N 424.423 1.937 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(C)cc3)C2)CC1 492420119 RQAYIYKFMQGBJQ-HXUWFJFHSA-N 412.534 1.294 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508809703 MVMCWZBURHTWOR-ZIAGYGMSSA-N 412.560 1.205 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)C(C)(C)O1 513787748 DZDOVGNUZKIABC-IBGZPJMESA-N 405.476 1.600 30 10 HDEE Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1C 514721135 FUXYJLQCVRKEOM-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE CCn1c(=O)c(C(=O)CN(C[C@@H](C)C#N)C2CC2)c(N)n(Cc2ccccc2)c1=O 532820626 VGCVWXXSBCWBHF-HNNXBMFYSA-N 409.490 1.467 30 10 HDEE CCOC(=O)CC[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 534071903 GMPNKZURBJLGJY-BBRMVZONSA-N 400.435 1.611 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(Cl)cc3c2OCC3)c1=O 543950980 LLINJOIXOGHUAO-UHFFFAOYSA-N 400.887 1.907 30 10 HDEE N#Cc1c(F)cc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)cc1F 555533744 LVRFWSSTVAZOLG-UHFFFAOYSA-N 420.441 1.949 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(F)c1 561547343 PTCYUXWKATWWCX-CABCVRRESA-N 415.446 1.895 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 563321668 MCIYQZWXMXHLEE-INIZCTEOSA-N 410.540 1.880 30 10 HDEE COc1cc(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)ccc1C#N 565138750 FHRPWBUKKKRKRH-UHFFFAOYSA-N 415.471 1.754 30 10 HDEE CC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC2)CCS1(=O)=O 575005517 NFSQUTVDNMXADE-MRXNPFEDSA-N 415.519 1.867 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C[C@@H]1CCCO1 590913944 DFKOUDDPDCPYAY-KRWDZBQOSA-N 411.527 1.427 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CN2CCOCC2)cc1 600404261 INFZDPRUCOIVLH-GOSISDBHSA-N 407.536 1.478 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(F)c(Br)cc1C(=O)OC 612253853 ORXAZAYHKMNFLC-UHFFFAOYSA-N 403.204 1.632 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)[C@H]1CCS(=O)(=O)C1 729334367 NGUPSYFZZPFMSE-MOPGFXCFSA-N 402.516 1.496 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1ccccc1 729537277 BMEMXDFAVPAIIO-INIZCTEOSA-N 401.488 1.225 30 10 HDEE COc1cc2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)[nH]c2c(OC)c1OC 732153038 DHJYWWYNYCPVML-CAPFRKAQSA-N 414.418 1.450 30 10 HDEE N#C[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCN1C1CC1 732649013 NUSDRVPWGGNWNX-IRXDYDNUSA-N 415.881 1.744 30 10 HDEE N#C[C@@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CCN1C1CC1 732652128 NXLMPIUKCXEGSR-MRXNPFEDSA-N 422.576 1.664 30 10 HDEE C=C(COC(=O)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](C)O)C(=O)OCC 734022696 IGVLHKBSRZHMSZ-KDOFPFPSSA-N 421.471 1.530 30 10 HDEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 735912111 RWJSPXMDNPIJQB-CQSZACIVSA-N 411.505 1.814 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCOc3ccc(C#N)cc3)C2=O)cc1 741970965 CDKKLRZPODLWID-JOCHJYFZSA-N 406.442 1.829 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 742051744 BVYIEMBSDDLPQJ-GXTWGEPZSA-N 400.294 1.865 30 10 HDEE COc1cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc(NC(C)=O)c1OC 744008142 XGBNSPMFXKJVRX-UHFFFAOYSA-N 417.443 1.794 30 10 HDEE CN1C(=C2C(=N)N([C@@H]3CCN(C4CCOCC4)C3=O)CC2=O)N(C)c2ccccc21 747865059 WUWWPUSWOMIFNM-QGZVFWFLSA-N 409.490 1.426 30 10 HDEE COc1cc(CC2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)cc(OC)c1 752964422 GJVODZUYUZTNTM-VXPUYCOJSA-N 414.462 1.414 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 756548935 SCTLJOPRBYOJOQ-KRWDZBQOSA-N 408.520 1.737 30 10 HDEE O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CCO 757485870 NVDZOWJIGDCSLD-FQEVSTJZSA-N 422.437 1.480 30 10 HDEE C[C@@H](COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N)CS(C)(=O)=O 757973266 SPDZFZSYPMJLMO-QMMMGPOBSA-N 412.411 1.994 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 764430607 LMZOECONIIDLAD-UHFFFAOYSA-N 406.427 1.303 30 10 HDEE CCn1nccc1S(=O)(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 769865562 KDAAGKSGMCUDGF-XDJHFCHBSA-N 411.509 1.517 30 10 HDEE C#CCN(C(=O)Nc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 774015101 HTPVOAIYYAVJSW-ZDUSSCGKSA-N 418.256 1.945 30 10 HDEE COc1cccc([C@@H]2[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC(=O)N2C2CC2)c1 776318612 CGKIBXCANFPYPH-CZTZKLFOSA-N 408.502 1.946 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@H]1CCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 779411428 FBQIZLRSVMXSNJ-YZGWKJHDSA-N 403.548 1.729 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(Br)n[nH]3)CC2)cc1 788277435 XTUIWFDDQXBPGK-UHFFFAOYSA-N 424.280 1.191 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2CN2CCNC2=O)n1 788658418 ROZBTVYUHOGYKL-UHFFFAOYSA-N 410.478 1.722 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)ccc2C)n1 788695545 SPOHAULRCLXGQB-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE C[C@H](CC(=O)NC[C@](C)(O)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 791066891 LMRMRURGFFUCQP-VLIAUNLRSA-N 407.536 1.951 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 795970207 FXHQQKLIFLSURY-GOSISDBHSA-N 407.559 1.622 30 10 HDEE COc1ccc(N2CCN(C(=O)CN3CCN(c4ncccc4C#N)CC3)CC2)cc1 796251595 VOKNKUGSTCKSMF-UHFFFAOYSA-N 420.517 1.433 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 798149641 FPVCSVHWZXBYKI-BXUZGUMPSA-N 403.298 1.808 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2c(F)ccc(Br)c2F)CC1 800481373 PBECHABHHXXUQC-UHFFFAOYSA-N 414.250 1.163 30 10 HDEE CC#CCN(C)C(=O)C[C@]1(C(=O)N(C)CC#CC)CCN(C(=O)OC(C)(C)C)C1 819245402 HCXVRNSPEADIOA-JOCHJYFZSA-N 403.523 1.967 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCCCC(=O)C2=O)c1 1125189501 WAVFVPPDODVYOJ-HEHNFIMWSA-N 420.491 1.020 30 10 HDEE Cc1c(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cnn1CCC#N 1126430204 IOJRJLCARGFLJB-AWEZNQCLSA-N 402.480 1.791 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)c1Br 1146196716 OEEGKMIQSHZHRB-OAHLLOKOSA-N 407.312 1.457 30 10 HDEE N#Cc1cn(CCNC(=O)C2(c3cc(F)cc(C(F)(F)F)c3)CC2)c(=O)nc1O 1148392626 CADCILFTJFMXOE-UHFFFAOYSA-N 410.327 1.826 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C 1158643605 PBILDQZECAVUHD-XYPHTWIQSA-N 421.519 1.852 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1 1159068192 SKBSJHQLGAPJMX-SFHVURJKSA-N 400.460 1.604 30 10 HDEE COC(=O)[C@H](CCC(=O)NCC1(C#N)CCOCC1)NC(=O)OCc1ccccc1 1159207018 HFNDRSAUFDTYOY-KRWDZBQOSA-N 417.462 1.671 30 10 HDEE C#CCNC(=O)Cn1c(-c2cc(Br)cc(Br)c2)noc1=O 1166706772 XNWBYWMQHZYRDR-UHFFFAOYSA-N 415.041 1.778 30 10 HDEE Cc1ccc(NC(=O)[C@H](C)N2CC(C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1169872099 GTLYAPBZIPHGMM-HNNXBMFYSA-N 406.508 1.188 30 10 HDEE Cn1c(=O)n(Cc2c(C#N)cccc2[N+](=O)[O-])c(=O)c2ccc(C(F)(F)F)nc21 1188610898 BPGQWIFJAPTFKN-UHFFFAOYSA-N 405.292 1.942 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@H](O)C1 1190985586 AHWIASQAGDGDCC-QWHCGFSZSA-N 401.872 1.470 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190985832 IEQSQMYKLCSNGU-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE CCn1c(=O)c(C(=O)CN(C)[C@H]2CCC[C@@H]2C#N)c(N)n(Cc2ccccc2)c1=O 1196833841 UPJRAEDIPGNIRE-SJORKVTESA-N 409.490 1.467 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1197201103 ANKIZCJZIKGSLT-CABCVRRESA-N 405.524 1.649 30 10 HDEE COc1ccc([C@@H](OC)[C@@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1230919343 WTRLYUYGCQEPSN-PXAZEXFGSA-N 413.434 1.172 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3ccc(-c4nncnn4)cc3)C2)nc1 1252562251 LLAGZGNVUYQISG-SFHVURJKSA-N 415.461 1.986 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc(Cl)cc2c1OCC2 1255813359 OYGCXIVAROBXLM-RRUGBERISA-N 409.895 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286303247 PZHDQFYMQZBVSG-CSODHUTKSA-N 401.511 1.587 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1286386695 GBNAKXDQUSNJLT-XYJFISCASA-N 417.535 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@H]1C 1286423719 NGORWSNAGRKXKL-GOSISDBHSA-N 421.501 1.857 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCn2cc(C)nc21 1286461048 MEFPBUVVCXBLSB-KRWDZBQOSA-N 413.526 1.585 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCC=C)CC1 1286478674 JGHUAKIWXPTNFJ-UHFFFAOYSA-N 414.460 1.205 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(CC)s2)CC1 1286646329 PILCFRUSTUANMX-ZDUSSCGKSA-N 408.553 1.799 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N(Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 1286780974 SVUKGBSAJMRDBW-UHFFFAOYSA-N 408.506 1.950 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286792605 CZAPNUKDESXGJL-FTRWYGJKSA-N 407.515 1.235 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCS(C)(=O)=O)CC1 1288985822 DPOXSURBKATQGB-UHFFFAOYSA-N 420.495 1.180 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1292890025 SPBSTXCEXZQIDO-IAGOWNOFSA-N 420.554 1.210 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C#N)CC2)c([N+](=O)[O-])c1 1298660078 HETLAZKWDZOADF-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE C#CC[C@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1298689540 IOCAOYGZGMHEHQ-MRXNPFEDSA-N 412.303 1.206 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C)C(=O)OC 1299179291 OVUVGWJUAOWHGM-QAPCUYQASA-N 406.504 1.853 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1300402522 ZENFUCJLHIRYHD-QGZVFWFLSA-N 416.478 1.129 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(Cl)cc1 1300430464 MXZFXHLYMUGYND-ZDUSSCGKSA-N 411.915 1.690 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1300459017 OUTOUAFPPRYXCP-QGZVFWFLSA-N 410.503 1.484 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccncc1Cl)[C@H]1CCS(=O)(=O)C1 1300504874 UZCYNUUUFNGGAI-HNNXBMFYSA-N 423.926 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)OC 1300510877 AMZMJNWZJWSENK-INIZCTEOSA-N 415.519 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCn2cncn2)CC1 1300718721 VRGQRBAHJCLIAN-UHFFFAOYSA-N 408.466 1.104 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OC(C)(C)C)C1 1301498241 LWPRPOWIGWWXEG-GJZGRUSLSA-N 404.515 1.315 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CC[C@H](OC)C1 1301515018 OYQQEDVMYQQBFZ-KRWDZBQOSA-N 401.467 1.393 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1301607886 SSOGSDFZTVICHL-UHFFFAOYSA-N 416.551 1.354 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301609570 LHGQMNSAIWTLBW-HOTGVXAUSA-N 401.540 1.325 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)c(=O)nc1O 1302841609 FIQTYYQMHKTDCH-WBVHZDCISA-N 402.838 1.901 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)n1 1313364822 YCXIPPQCJYMYSP-RBSFLKMASA-N 410.482 1.850 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3cnccn3)nnc2N(CCC#N)CC2CC2)CC1 1313926571 DQMRKSFYTLBEOR-GOSISDBHSA-N 423.569 1.891 30 10 HDEE CNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1314943074 BJGGJAAMFNPLJA-CQSZACIVSA-N 416.457 1.497 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@]1(OC)CCOC1 1316100819 AOLNAFLSUHVJNC-HXUWFJFHSA-N 400.483 1.821 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1349408579 OARHVBJMLJXGEO-GFCCVEGCSA-N 405.303 1.865 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1358963283 FKZGMGXTZREUAU-SJORKVTESA-N 418.519 1.667 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC1(O)CCN(C(C)C)CC1 1358975894 IMUYQGIZUPEIBD-UHFFFAOYSA-N 406.534 1.957 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1359053009 YCGJDTJCOUJHRE-IBGZPJMESA-N 423.481 1.729 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1359281611 FSIHTSUIJASZGT-KRWDZBQOSA-N 405.524 1.457 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@H](C)C1 1359310289 RYCDHDJCYJSIKZ-WBVHZDCISA-N 424.505 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2([S@@](C)=O)CCC2)C1 1359319487 AFWDETVHTAQCIV-SLBZEPJWSA-N 407.540 1.312 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C1 1359320379 PUMKJXATTDPDGB-LSDHHAIUSA-N 404.515 1.173 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1359601620 CGSTUGASZPEXMB-UHFFFAOYSA-N 403.508 1.458 30 10 HDEE CC(C)C(=O)NCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1359642385 PSIGZAKCQNHEAC-UHFFFAOYSA-N 422.537 1.596 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)C1 1360788074 KQJQTLBYKQFXIA-KDOFPFPSSA-N 408.453 1.955 30 10 HDEE Cn1nc(I)cc1C(=O)Nc1ccccc1-n1cnc(C#N)n1 1436602432 YXIMVVSPSWXJHY-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NCCCC)c1 1440755383 LRHAEOXPVKOIHP-QGZVFWFLSA-N 408.545 1.915 30 10 HDEE Cc1c(C(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cnn1CCC#N 1442349931 GCCHQLTWNUGMHC-UHFFFAOYSA-N 402.543 1.661 30 10 HDEE CC(C)(COc1ncccc1C(F)(F)F)NC(=O)Cn1cc(C#N)c(O)nc1=O 1446417808 CHMRPYVZLZXIMD-UHFFFAOYSA-N 411.340 1.208 30 10 HDEE COC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OC)c1 1447789732 GUTHSJHGOPDDLM-UHFFFAOYSA-N 403.416 1.270 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1cccc(F)c1 1450306434 APNXXYLUCNQAQL-SUMWQHHRSA-N 405.451 1.084 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1453496610 NAWIPYANXVNUOW-URWVEQFTSA-N 409.442 1.930 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3nccn3C)CC2)c1 1455367729 ZCBQTWHNDOGSFX-UHFFFAOYSA-N 401.488 1.341 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 1455937617 BWLJJBGPCJNMKA-UHFFFAOYSA-N 419.547 1.744 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@]23CCCC[C@]2(CN(C)C3)C1 1457325337 NPCUNLVQETWPMW-NDXORKPFSA-N 416.547 1.559 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)Nc2ncc3c(c2C#N)COCC3)cc1 1461013776 ICRIORRNADPVJG-UHFFFAOYSA-N 400.460 1.457 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccccc3OCc3ccncc3)C[C@H]1CS(=O)(=O)C2 1462997354 IPEKXLXQVXUZCB-RXVVDRJESA-N 411.483 1.600 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1 1463162456 BOVSIWGTJZTLJY-CKFHNAJUSA-N 419.528 1.158 30 10 HDEE COC(=O)[C@@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1463479817 MBTZCTLTMIQJEV-BFUOFWGJSA-N 405.838 1.260 30 10 HDEE Cc1ccn([C@H](C)CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1464026868 FMSDOTNHDHRUJJ-MRXNPFEDSA-N 401.492 1.547 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](C#N)c1ccc(OCc2ccccc2)cc1 1464776159 MKMOFDJXJLOZRU-KXBFYZLASA-N 419.445 1.138 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1467451134 GJKGQSQOSBDRJK-KKSFZXQISA-N 407.511 1.437 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1468228115 FFWFKXASLDNQKN-MOPGFXCFSA-N 407.536 1.151 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCS(=O)(=O)CCO2)n(-c2ccccc2)c1C 1473894693 NKZFTELVPXEUCD-UHFFFAOYSA-N 402.476 1.566 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2cn(C)nc2I)n1 1474489388 WFFZITAEUYJRNW-UHFFFAOYSA-N 413.263 1.503 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 1475427805 ZBGXPUHTBOJQAD-NSHDSACASA-N 413.297 1.924 30 10 HDEE C#CCN(C(=O)Nc1cc(COC)cc(C(=O)OCC)c1)[C@@H]1CCS(=O)(=O)C1 1476649166 PJBOITJLLIROAK-QGZVFWFLSA-N 408.476 1.664 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1cccc(OC)c1 1504997557 FRCJQJUROVQKOM-APWZRJJASA-N 415.494 1.982 30 10 HDEE CCN(CCC#N)C(=O)CN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1506571044 LTDRRNMZWQWKPA-SIFVSHMBSA-N 402.539 1.533 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1507615769 BBVXRYBZUQMALF-ZACQAIPSSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507630301 WMUVLBPUQGAJSD-OXJNMPFZSA-N 417.535 1.071 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@](C)(O)c1ccccc1 1507712719 NDCZNKZQMVYKIM-AVRDEDQJSA-N 411.506 1.613 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1507756224 LNZSTOZAZSPHTL-UHFFFAOYSA-N 409.519 1.161 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1COCCO1 1507762252 XMPQCKQZBHFWQP-IOMROCGXSA-N 404.511 1.726 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1507973548 IPHNWYHBTWNDRS-UHFFFAOYSA-N 403.450 1.995 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N(C)C 1508038779 KCNXRRGUPNMKNX-GOSISDBHSA-N 415.494 1.908 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2C1 1508142853 VMLKZDGOILGOHP-INIZCTEOSA-N 401.492 1.350 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508734474 LOCDXSUCBGKCPA-KRWDZBQOSA-N 411.510 1.536 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cs1 1511545852 LSALAVCBPWAYAJ-YOEHRIQHSA-N 417.539 1.083 30 10 HDEE CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1512634202 AJWVWBNKEYBDII-HUUCEWRRSA-N 412.560 1.643 30 10 HDEE CCn1cccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)c1=O 1515790557 PNHXMNJEVGSCGX-QGZVFWFLSA-N 410.503 1.889 30 10 HDEE COC(=O)c1cnn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 1516185863 UPXQUWSDYKTZQA-LTGZKZEYSA-N 419.463 1.121 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1518832680 IEURZWQFUHVZAT-MRXNPFEDSA-N 422.445 1.999 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)c3ccsc3C#N)CC2)c1 1529851373 HUAJYRRGVIVUKX-UHFFFAOYSA-N 403.485 1.621 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4cccc(Br)c4)CC3)C[C@H]1CS(=O)(=O)C2 1538760930 KFUPQLLOQBPWGZ-XJKSGUPXSA-N 409.305 1.877 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1538975271 ZDEWVPZUUKOLGS-ROUUACIJSA-N 424.615 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1538991640 BMSIIBZSSONXDH-WDYCEAGBSA-N 422.493 1.430 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(C)(=O)=O 1538991900 GSXZOIYNXDTLLC-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1539002845 IPFPPZLJCYBADA-CQSZACIVSA-N 417.477 1.310 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCCCC)[C@H]1CCS(=O)(=O)C1 1539206440 PCJJMEOFBQUUFW-SFHVURJKSA-N 417.535 1.835 30 10 HDEE C=C[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1540267272 ZPPYSJKAQUWKAB-LBPRGKRZSA-N 423.716 1.482 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCOCC3)cc2)CC1 1540523164 XEQSTDCXBIBAHF-UHFFFAOYSA-N 405.458 1.388 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CCOCC2)C1 1540881458 JSSGJQRIEKWBQS-ROUUACIJSA-N 418.542 1.016 30 10 HDEE Cn1cc(Br)c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1543775625 QFNGUVCKNZQCMV-GFCCVEGCSA-N 402.252 1.724 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1545123058 HASKVRHEIZIDFS-QINHECLXSA-N 401.515 1.080 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1CCS(=O)(=O)CC1 1556091035 XFOBDKSJTVKQFO-HNNXBMFYSA-N 401.529 1.905 30 10 HDEE C=CC(C)(C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1556592912 IVRFLTXLKAZAOY-ILXRZTDVSA-N 400.541 1.985 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@](O)(C(F)F)C2)C1 1556680837 MDJCZUDJBMVDSO-INIZCTEOSA-N 400.223 1.985 30 10 HDEE COCCN(C(=O)OC(C)(C)C)C1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 1557365594 OWBJWCFPVAHTHG-AWEZNQCLSA-N 406.487 1.585 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@](C)(C#N)C1 1558602005 BSSCQWULMURSKW-QAPCUYQASA-N 406.464 1.587 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(C(=O)OCC)c2C2CC2)cc1 1558681479 PASQUYDJGVTAGD-UHFFFAOYSA-N 416.459 1.628 30 10 HDEE N#CC1(C[C@H](O)CN2CCCN(C(=O)Cc3cccc(F)c3)CC2)CCOCC1 1559592880 UTYLLNDCPKMNFA-FQEVSTJZSA-N 403.498 1.974 30 10 HDEE COc1cccc2sc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)nc12 1560168506 NJJMVLAXGCQMFW-GTNSWQLSSA-N 406.489 1.114 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)cc1 1561597688 BCBBVKHDVKIOJL-UHFFFAOYSA-N 406.551 1.237 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1562002333 WFAOXBCAQRQXAO-GUDVDZBRSA-N 406.504 1.840 30 10 HDEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCS(=O)CC1 1585989321 RIZMSBWZOOSITO-CAMNNIOPSA-N 402.476 1.133 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@H]3CCCCN(C)C3=O)ccc2c1=O 1586860175 HFMOKOQHRKOIGZ-INIZCTEOSA-N 400.504 1.954 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NOc1cccc(C#N)c1 1587209047 YSTWXUIBQJCONI-SDJAHQOYSA-N 407.348 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)N(C)C 1587662946 RYJABTXDKYIRPG-KRWDZBQOSA-N 403.552 1.803 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C\c1ccc(C(N)=O)cc1)C1CCOCC1 1587810810 VBWSXVHPYBRQQT-NBZYPHCYSA-N 409.486 1.334 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCCC 1587990582 YUSMYILRRKSFMI-QZTJIDSGSA-N 407.584 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCC1 1588613149 UJZCKWVVCKZVGA-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC(F)(F)F)n1 1588723952 RNIKAVGERQIIGR-AWEZNQCLSA-N 412.416 1.827 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(OC)CCOC2)CC1 1588790841 FESOQTPSSGLSSP-JOCHJYFZSA-N 406.490 1.377 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588806211 JSOIONZDICFSNO-GOSISDBHSA-N 422.524 1.657 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594448921 PWPXLEYBZYNTEY-HNNXBMFYSA-N 409.556 1.740 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1594733771 YGAFAVZSOJVEHY-OAHLLOKOSA-N 403.508 1.810 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1594856571 HKJHVRBQMLGICM-OLZOCXBDSA-N 416.548 1.424 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1595205724 YOTDMHFBCWFFOH-UHFFFAOYSA-N 421.461 1.726 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1595475490 CYSOWQITOTZUCA-HNNXBMFYSA-N 401.515 1.712 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(Cl)c3)n2Cc2nnn(C)n2)C1 1595681058 OKGFZKLQXCPWFH-OAHLLOKOSA-N 400.874 1.952 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)C1 1595739079 WQRFAMPNTAXMMP-IBGZPJMESA-N 422.489 1.955 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1 1608095693 QGHHQSWRECDHEK-UHFFFAOYSA-N 420.525 1.814 30 10 HDEE CC1=C(C)CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611835118 NPYCDIVDCKFHCT-ZZEZOPTASA-N 420.477 1.808 30 10 HDEE CC1=CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1612332023 DREJRTWWYZGGHH-ZZEZOPTASA-N 407.478 1.966 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4ccccc4Br)CC3)C[C@H]1CS(=O)(=O)C2 1616336823 RFFBPOPBPPLKBP-BLLLJJGKSA-N 409.305 1.877 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cnc(OC)c(C#N)c2)C1=O 1617049429 YQUPAZNKVJNEQY-NRFANRHFSA-N 423.429 1.685 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1618347661 OHZKSPDHENCOET-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)cc1 1620349133 GIYQPJQIDFZEFN-ZWKOTPCHSA-N 410.478 1.324 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@H]3COC(=O)N3)CC2)CC1 1620631261 QOQCONLLROCXQC-SJORKVTESA-N 417.535 1.277 30 10 HDEE CC(C)N(CCC#N)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1621766253 COCHELCOQZRJLE-SFHVURJKSA-N 409.508 1.978 30 10 HDEE C=CC1(CC(=O)NCCNS(=O)(=O)c2ccccc2)CN(C(=O)OC(C)(C)C)C1 1626150583 PVFXJQBGXGMFKI-UHFFFAOYSA-N 423.535 1.894 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2c(Cl)nc3cc(Cl)ccn23)CC1 1627014896 FIQZVYVTEHTZEA-UHFFFAOYSA-N 408.289 1.538 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CO)c2cc(Cl)cc(Cl)c2)C1=O 1627556799 DRKLHTGTWPEWFA-QGZVFWFLSA-N 414.245 1.294 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)cc2n1 1627664176 FOMVCQLTMLCROL-UHFFFAOYSA-N 411.509 1.497 30 10 HDEE Cc1c[nH]c(CC(N)=O)c1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1628706054 FOKIXSWOTBCYND-UHFFFAOYSA-N 417.473 1.575 30 10 HDEE C[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(S(C)(=O)=O)cc1 1635905735 JXVXCRXKJMZGPN-NIVDNSEKSA-N 405.476 1.226 30 10 HDEE N#Cc1cc(NC(=O)c2ccsc2S(N)(=O)=O)ccc1N1CCC(O)CC1 1636142726 SKBNCCOKVUEPSR-UHFFFAOYSA-N 406.489 1.481 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(Br)cn(C2CC2)c1=O 1636472022 IWWQESLLJLGDSG-UHFFFAOYSA-N 419.283 1.827 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)CN2CC[C@@H](c3ccccc3)NC2=O)CC1 1637909740 WBBMYNONHHNGMI-IBGZPJMESA-N 404.474 1.758 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)Cc2ccc(OCC#N)cc2)cn1 1638037553 IVSATZDRVDDNGL-SFHVURJKSA-N 402.476 1.253 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1638993713 SUTYXIFLYAAZRE-MRXNPFEDSA-N 410.517 1.089 30 10 HDEE C#CCN(CC(=O)N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C 1641119589 DMWSAKVNGPSQOK-HNNXBMFYSA-N 401.463 1.787 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 1643346969 RDPXERWFIMHURD-UHFFFAOYSA-N 404.511 1.653 30 10 HDEE N#Cc1cn(CC(=O)N2CCOc3cccc(Br)c3C2)c(=O)nc1O 1643798342 RQRBXTLNQIFAPH-UHFFFAOYSA-N 405.208 1.004 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1650972101 IMHDPBVJWKHHRU-LSDHHAIUSA-N 416.927 1.854 30 10 HDEE CN(c1ccc(Oc2[nH]c(=O)n(C)c(=O)c2C#N)cc1)S(=O)(=O)c1cccs1 1651287528 ANKPCXYIBHVWTR-UHFFFAOYSA-N 418.456 1.624 30 10 HDEE C=C(C)[C@H](CO)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1653888266 PSPPQAGCXZCNKW-KURKYZTESA-N 408.543 1.791 30 10 HDEE CC[C@H]1C(=O)NCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1654879012 UGHGYCORCNMMNS-RBUKOAKNSA-N 401.486 1.135 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)CC1 1661608895 OBBPHMDYBNYFAO-UHFFFAOYSA-N 403.504 1.457 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)OC 1663037241 CXOGEJOPCQTFHM-ZDUSSCGKSA-N 424.397 1.001 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CS1(=O)=O 1671875553 XCMUEVHPMXZQNX-MHABSNSOSA-N 406.508 1.908 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc3cnn(CC(=O)OC)c3c2)c1 1675087033 RTQCMCWVZYOVDM-UHFFFAOYSA-N 405.414 1.951 30 10 HDEE Cn1ncc(I)c1CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1675450733 QLHCEPUSEYFCHJ-ZDUSSCGKSA-N 421.242 1.863 30 10 HDEE C#CCC1(NC(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CCOCC1 1678553378 VCOVARCHSJFGEF-CQSZACIVSA-N 405.476 1.512 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1682356187 BSTULJRABZAFPK-AWEZNQCLSA-N 400.298 1.410 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)C1 1685180077 GHEZFZOEUVVDPP-OFQRWUPVSA-N 407.458 1.235 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCCCCNC(=O)CC2)C1 1686056413 XCVFXFYKVQTRJO-JKSUJKDBSA-N 407.515 1.837 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1689829338 XJALMGWKZVETJR-DJPFJPOOSA-N 416.547 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCCn1cc(CO)nn1 1690050941 HAVKLBOHHVHHHF-UHFFFAOYSA-N 424.534 1.271 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCOC(F)F)CC1 1690113501 LJXRDSODETZOQA-LJQANCHMSA-N 413.469 1.315 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1690471196 WYAZKSGMTVDWOJ-AWEZNQCLSA-N 415.560 1.690 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2)C1CC1 1690536570 BXGBOMNYUNLLHL-ZDUSSCGKSA-N 420.539 1.958 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1690560052 OLNAUEYDODUETK-SFHVURJKSA-N 421.505 1.772 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1690579796 SQHCCRGJPRJOHI-HXUWFJFHSA-N 417.535 1.806 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690629981 OCPWZCITJGVGLQ-YPMHNXCESA-N 405.300 1.947 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1690643494 CKVOLELOJGCCEU-ZWKOTPCHSA-N 420.558 1.021 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCCOC2)C1 1690678098 KWZLNVTZQMSKRE-DJPFJPOOSA-N 419.526 1.311 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)NC)C1 1690694918 XSHOVOSRHOHEOV-OAHLLOKOSA-N 421.523 1.284 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(C)C)C1 1690724284 LLTYYZWPSSWEKI-IAGOWNOFSA-N 412.556 1.982 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1690749724 NOPWBUKCDYTTIS-CQSZACIVSA-N 418.548 1.918 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1691328887 PFAOAIFLSKXMMR-GIQLZXEWSA-N 404.490 1.917 30 10 HDEE Cc1nc(N2CCOCC2)sc1-c1nnc(N(C)[C@@H](C)CC#N)n1CC1(O)CC1 1692912709 UJVAVXXRKIDNHV-ZDUSSCGKSA-N 417.539 1.810 30 10 HDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1695453804 CZZHJXCLDLVVMS-LJQANCHMSA-N 423.521 1.854 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@](C)(O)C1CC1 1696328886 GMFAMWXSXQSAFL-NRFANRHFSA-N 411.510 1.569 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)c1nc(C)cs1 1705627467 HPPANCRLLXSBCM-ZFWWWQNUSA-N 402.524 1.884 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705734783 BPAHPNZTBQIXBU-UHFFFAOYSA-N 416.526 1.066 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1705848118 NKTGGFTXAKFQRK-UHFFFAOYSA-N 415.586 1.695 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705890394 NTSBPNQZWONBKZ-HZPDHXFCSA-N 410.540 1.388 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705890746 GCWRRSQPNHVDOE-CVEARBPZSA-N 423.583 1.745 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1705903421 VFXWWTJQEGNDRG-QGZVFWFLSA-N 412.494 1.557 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ncn(C)n2)C1 1705914265 KLBPPSSOHXZPPY-OAHLLOKOSA-N 402.503 1.155 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1705939447 XNBSIBMWVMSDAN-HZPDHXFCSA-N 421.527 1.163 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)cs1 1707755306 KCGUKVSAQGWDAD-GOSISDBHSA-N 403.487 1.602 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)C(C)(C)C 1712454411 FMCQXHCCYVCMQB-UHFFFAOYSA-N 423.543 1.258 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1F 1712647630 FRJGFFQJJPCOPA-JZXOWHBKSA-N 401.442 1.918 30 10 HDEE CO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712667757 ADYFNVJMNZANAX-QFPXGYFVSA-N 400.483 1.687 30 10 HDEE C#CCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722339136 QIXNFTSRKJCJNW-RTWAWAEBSA-N 401.511 1.591 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1722361548 ODNNSGXFIDTFBE-OAHLLOKOSA-N 414.516 1.472 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722402366 LYIPKGXTORGAMR-INIZCTEOSA-N 405.524 1.735 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722413646 HIOFPMZAHXBRMW-SFHVURJKSA-N 415.563 1.918 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](OCC2CC2)C1 1722458130 DGLRCGSNIAQXLP-SJORKVTESA-N 403.552 1.991 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1722566714 XOZXXODDMWALEW-SJORKVTESA-N 409.556 1.958 30 10 HDEE C=CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722603988 RJPXDEJXGRCYJC-HOTGVXAUSA-N 402.499 1.023 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722696203 DZTHUXUYXKGNOY-MRXNPFEDSA-N 406.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1722697922 AKXIDTLRHPASCL-AEFFLSMTSA-N 415.494 1.863 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC=C 1722738235 DBBSZPLYFSTBDY-AWEZNQCLSA-N 401.558 1.152 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC(=O)N1 1730943123 DRABSMQOAZBGNK-JZXOWHBKSA-N 402.499 1.411 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)c1 1731180039 FLSGDTDVRJEEAM-IBGZPJMESA-N 419.489 1.852 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1740558602 UCCZESWMUSKYLY-CABCVRRESA-N 403.508 1.533 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCNC(=O)C1CC1 1740615043 PGTCLTVVRBQQLQ-INIZCTEOSA-N 416.526 1.946 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(C)C)[C@@H]1CCS(=O)(=O)C1 1740615892 NFVAAZVLCFCEGC-QGZVFWFLSA-N 423.583 1.869 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740622180 VWILGMULOWBSLA-HZPDHXFCSA-N 401.536 1.956 30 10 HDEE C#CCN(c1nnc(CC)n1CCC(=O)N1CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1740624481 HHXGAISODZGWFS-QGZVFWFLSA-N 421.567 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NC(C)C 1740637053 OBVNIQYXVSHHBM-UHFFFAOYSA-N 401.474 1.728 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1740666569 UMQDUGAWRVYOPT-UHFFFAOYSA-N 420.473 1.964 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(F)F)cc1 1740684416 QMFDWSVOFUXZRZ-INIZCTEOSA-N 419.432 1.965 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1740756699 JUDZDZHZRWDILJ-XIRDDKMYSA-N 420.539 1.283 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCCC[C@@H]2C1 1740950849 JXDVVFWJQFIFQW-QGZVFWFLSA-N 417.558 1.173 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1748666890 JZYKIJMODDSFEG-DZGCQCFKSA-N 412.460 1.961 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748817860 ROYYRWMEMNGPCY-UONOGXRCSA-N 418.466 1.038 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748817940 SYVUTSGNEKUCOF-UEXGIBASSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1748867167 BGBIUMJPQPGODX-QHCPKHFHSA-N 423.517 1.449 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1748887175 WQIQVXFSUUSMKP-UHFFFAOYSA-N 424.530 1.829 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 1748994259 WGXVKYBFGUNWPV-NRFANRHFSA-N 414.598 1.613 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749658879 XEMBATBUEUNVBC-UONOGXRCSA-N 415.885 1.011 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@H]1CCOC1 1749660920 WERNNKZBZAPFEH-OAHLLOKOSA-N 413.478 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(=O)OC)CC1 1749664482 OTUUMXXUZVLBMD-UHFFFAOYSA-N 402.430 1.275 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1749670245 PAQFMKLFVXXDQN-ZNMIVQPWSA-N 413.544 1.080 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1749670698 UTQNAFSIWNYKAZ-UHFFFAOYSA-N 404.515 1.905 30 10 HDEE N#Cc1ccc(Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCNC(=O)C2)o1 1750383456 USXZNNXMJASPOK-UHFFFAOYSA-N 414.372 1.996 30 10 HDEE CC(C)OCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1751044596 NYYSXEYCYFJIBD-GOSISDBHSA-N 415.542 1.506 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760106422 CKXNPJDUDNLPEO-RDJZCZTQSA-N 412.519 1.556 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760113385 UHXUTRYXYUKLPL-ULQDDVLXSA-N 411.497 1.986 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760160487 DVQURQQDRALBSX-KRWDZBQOSA-N 422.537 1.532 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1760181582 XVXQIUJQXYGBKQ-HZPDHXFCSA-N 422.507 1.270 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC2(COC)CCC2)CC1 1760252810 WLXUPYRAPCJCLU-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760345525 FUTBUAVLSPZKJE-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ncccc2N(C)C)CC1 1760389581 OBCLITQBWNCTNM-MRXNPFEDSA-N 416.551 1.846 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1760437634 JNBIAMCMSHJGBE-UHFFFAOYSA-N 422.580 1.773 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1 1760495446 ODHXBBXWIQZTTB-IAGOWNOFSA-N 423.539 1.482 30 10 HDEE CC(C)c1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1760937512 IAYWNJSTCFTQTF-HFUDNHEJSA-N 402.499 1.932 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1761168943 JIZBERPRCZKNEM-UHFFFAOYSA-N 407.522 1.968 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1761910705 DNMIFAZTBQUZMM-JKSUJKDBSA-N 418.523 1.499 30 10 HDEE CO[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1768018508 PCKCQUGPDAEKLL-OAHLLOKOSA-N 407.482 1.307 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CC#N)CC1 1769365528 AQDFEFALZFDETP-UHFFFAOYSA-N 418.523 1.633 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)C1 1770344548 UCAKLOBTVOMOSV-JKSUJKDBSA-N 408.528 1.151 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1770751769 MUSLPJJDXRDGJV-KRWDZBQOSA-N 421.885 1.638 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc(F)c(C)c2)c1COC)[C@H]1CCN(C)C1=O 1850855963 HJOKPVBYMOZSCX-INIZCTEOSA-N 401.442 1.720 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H](C)n2c(C(F)(F)F)nc3ccccc32)NC1=O 1851637276 GKPDVQXIQUETBN-VIFPVBQESA-N 407.352 1.937 30 10 HDEE COc1ccccc1-c1ccc(N2CCC(C(=O)OCCNC(=O)CC#N)CC2)nn1 1852996907 QZRPRWOPFKEPBB-UHFFFAOYSA-N 423.473 1.942 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCc2c(C)noc2C)C1=O)[C@@H]1CCN(C)C1=O 1853829701 YECQHMXUFXRDQS-ZWKOTPCHSA-N 402.495 1.460 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CSc2ccc(F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854226203 GLDQUZOFTKAUAI-SJORKVTESA-N 405.495 1.764 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccccc2F)C1=O 1854262943 PAECFPVDKARQQD-MSOLQXFVSA-N 417.481 1.831 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CCN1CCCC#N 1854268335 QCWNRSCJUILKHN-CYBMUJFWSA-N 404.417 1.400 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCCC#N)[C@@H](C)C2=O)cc1 1854326675 DQKOPUAWXGJYLV-INIZCTEOSA-N 420.535 1.694 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(Br)cc1 1854407169 IFALCBLHTQRGJR-UHFFFAOYSA-N 414.281 1.501 30 10 HDEE C=C[C@@H]1CCCCN1[C@H]1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1854557968 AUOHMQIUEYSDBC-MJGOQNOKSA-N 407.474 1.473 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4c(c3)ncn4C)C(=O)C2)C1 1855005493 CSUYLRVLBFVGIW-WMZOPIPTSA-N 408.506 1.624 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CN(c3ncc(F)cn3)C2)CCN1Cc1ccc(C#N)cc1 1855601008 XDZZFHYYFFKKBY-CQSZACIVSA-N 408.437 1.183 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1855737211 BBEBQKWKPYGMOS-CMPLNLGQSA-N 421.372 1.597 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@H]1CCS(=O)(=O)C1 1855946731 DMABPFWREKXTSY-JSGCOSHPSA-N 409.895 1.266 30 10 HDEE CCC(CC)C(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098353 FPEXFLFEOXVJOG-HXUWFJFHSA-N 410.518 1.922 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4ncccn4)C3)C2=O)c1 1856411203 AMBCETWBMVAYAA-IEBWSBKVSA-N 405.458 1.880 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4cnccn4)C3)C2=O)ccn1 1856457336 NIKNISMLBLGZQS-MAUKXSAKSA-N 406.446 1.275 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(CCC)cc3)C2)CC1=O 1856901548 DMVNTFDVESOCRE-IRXDYDNUSA-N 422.503 1.521 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858329816 NJTQOMIPIUZUAR-KRWDZBQOSA-N 424.482 1.270 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)cc2F)cc1 1858965253 NZBWJGVXHBLXCP-UHFFFAOYSA-N 408.382 1.943 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)ON2C(=O)c3ccccc3C2=O)C1 1880980098 MKDBWELQXHMCHW-UHFFFAOYSA-N 412.345 1.358 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985095468 DWDZJDTYGANKHX-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1987703022 YWXXWWOZEALNOP-KBXIAJHMSA-N 410.320 1.670 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCF)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010394664 FSNBSKBBKGRSDN-CYBMUJFWSA-N 424.282 1.967 30 10 HDEE C#CC1(F)CN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2172907710 XVLOQUZAGGMVLI-UHFFFAOYSA-N 409.176 1.335 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174788788 JBKZTKDLMIROBZ-HNNXBMFYSA-N 401.529 1.873 30 10 HDEE COCC[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)C1 2202163140 ASXDDRWJEMFRBO-KPZWWZAWSA-N 404.529 1.928 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCONC(=O)OC(C)(C)C 2243425146 FQVCIYUPAYLVBO-UHFFFAOYSA-N 409.292 1.510 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245253032 GKCOJJLECHWHST-FBASQYQSSA-N 408.304 1.925 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(CO)CC3)cc2Cl)OC1(C)C 2267707897 ZVDXJNVWWGFWKQ-UHFFFAOYSA-N 407.750 1.752 30 10 HDEE C[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269021583 USTHYUAGLQNPNQ-MRVPVSSYSA-N 409.722 1.794 30 10 HDEE CC1(C)OB(c2scnc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2282013142 FJYQQCLSAKHYRE-UHFFFAOYSA-N 410.273 1.200 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282015197 VSXGUGLPKPOXDG-NSHDSACASA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@](C)(=O)[C@@H]3CCNC3)c2)OC1(C)C 2282330367 YQFRXLVOANXQNF-YDBLSZJJSA-N 420.387 1.196 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333484 PGLDYULENZPHIV-LLVKDONJSA-N 423.387 1.149 30 10 HDEE CN(C)C(=O)CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282408576 JCWWGGRPDQYNFY-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE C[C@@H]1CCC[C@@H](CN)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493790 VPPNVYFOMFFDLL-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCO1 2282500760 NGYSZSQCMKIIID-YPMHNXCESA-N 402.347 1.429 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@H]1C1OCCO1 2282539243 RBLOPUMZLMVYEO-INIZCTEOSA-N 403.284 1.972 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCNC1 2282835505 VRSXXRBJJSCFDA-WDEREUQCSA-N 420.793 1.977 30 10 HDEE CC[C@@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282841843 QGNNFEMMVLHURH-NWDGAFQWSA-N 402.347 1.429 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CN1 2282867220 VPQJGJFRWWPUQY-NEPJUHHUSA-N 400.737 1.668 30 10 HDEE COC(CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)OC 2282869339 BFAFIQCVBVPLSD-UHFFFAOYSA-N 405.709 1.536 30 10 HDEE CCCSC[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284378283 LWNIKGFTBYTFBC-NSHDSACASA-N 400.331 1.769 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3(C(=O)O)CC3)ccc2Cl)OC1(C)C 2284394199 VRVHPVMTDBEJMJ-UHFFFAOYSA-N 401.677 1.535 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2300229935 CQGUMKDGANJDEJ-UHFFFAOYSA-N 420.319 1.316 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccc(O)cc1 2329035272 YQAKATLGEGAKBH-AWEZNQCLSA-N 417.491 1.855 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCC[C@H](S(C)(=O)=O)C2)OC1(C)C 2362572981 HTJDWPMFLTYVQN-NSHDSACASA-N 400.331 1.092 30 10 HDEE CN[C@H](C#Cc1nccs1)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363524094 DVEVFZYZZRYBMZ-ZIAGYGMSSA-N 413.565 1.895 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365255095 VCQYRZQBBKOYFV-SFHVURJKSA-N 405.513 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788494 PRCUGAVUEJIIFH-KGLIPLIRSA-N 401.481 1.436 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)[C@@H](CC)NC(=O)OC(C)(C)C 2375229026 SNEMAAQVJWPUMW-HBUWYVDXSA-N 402.513 1.255 30 10 HDEE O=C(NCCc1ccccc1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 48586197 CFXAZCPUVZGFBA-UHFFFAOYSA-N 414.487 1.455 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NCC#CCOc1cccc(NC(C)=O)c1 90732302 OMOUJLDAJOUWFN-UHFFFAOYSA-N 422.484 1.854 30 10 HDEE Cc1ccsc1[C@@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 101443606 CVWAZDKSEVTMLA-NEPJUHHUSA-N 412.475 1.065 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccco2)c(C)n1 102757413 POFLKRURLQXJGH-LYHOESIGSA-N 412.446 1.440 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 105288774 ZGTFZPUEPMZHOG-UHFFFAOYSA-N 411.487 1.356 30 10 HDEE CCCOc1c(OC)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1OC 169884235 KPQJPCWRHWVQQY-KGENOOAVSA-N 410.540 1.623 30 10 HDEE N#CCC(=O)Nc1cccc(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 219741476 SADBTXLRINDRRS-UHFFFAOYSA-N 421.369 1.359 30 10 HDEE N#Cc1ccc(NC[C@@H]2CC[C@]3(COCCN(C(=O)[C@@H](O)c4ccccc4)C3)O2)nc1 247710205 IULIXHIANMFSED-RRPUWOKSSA-N 422.485 1.875 30 10 HDEE Cc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccc(C#N)cc3)N[C@](C(=O)O)([C@H](C)O)[C@@H]2C1=O 248109884 NFZFLSNRRBHNCS-HNTOPYAMSA-N 419.437 1.521 30 10 HDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 253530210 ODJLBQGVINUMMR-IFXPONGKSA-N 404.503 1.898 30 10 HDEE biogenic CN/C(=N/Cc1ccc(N2CCN(CC3CC3)CC2)cc1)NCCN1CCOCC1 305737858 VOYXSLFNAUUPRL-UHFFFAOYSA-N 414.598 1.216 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCc2ccccc21)NS(=O)(=O)N1CCO[C@H](C#N)C1 409499643 KRUVAWDOGKJDIW-JZXOWHBKSA-N 407.492 1.097 30 10 HDEE C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409597146 VDYIOIGAVRDHPS-GJZGRUSLSA-N 406.450 1.666 30 10 HDEE N#CCN1CCC(CNS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)CC1 445733336 NPBOBRRIMTYWBH-UHFFFAOYSA-N 413.503 1.848 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nccn1CC(F)(F)F 464948680 MPSHPRCVEKZWOK-GFCCVEGCSA-N 408.388 1.527 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 471672454 WFDTUBMMEVCTSO-UHFFFAOYSA-N 412.393 1.461 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4cc(C#N)ccn4)CC3)[nH]c2c1 484066861 CIXOCPWRWFGGQQ-UHFFFAOYSA-N 403.446 1.103 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2c(Cl)cnn2C)cc1 485397334 UWPLFEBKSAVRPQ-UHFFFAOYSA-N 404.901 1.681 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(OCC(N)=O)c2)cc1 503690039 MDUFOUFQCUZGGW-QGZVFWFLSA-N 410.455 1.576 30 10 HDEE C=CCn1c([C@@H]2COc3ccccc3O2)nnc1S(=O)(=O)Cc1ccn(C)n1 506867471 WAMXZEZUCYJYAP-INIZCTEOSA-N 401.448 1.684 30 10 HDEE C=CCn1c(-c2cccc(C(F)(F)F)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 508492192 VYWXDKSAZBEZSU-AWEZNQCLSA-N 420.395 1.297 30 10 HDEE CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 546267942 QVXWEDYSGUYCBJ-AWEZNQCLSA-N 413.482 1.430 30 10 HDEE CCN1CC[C@H]2OCCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)[C@H]2C1 549832589 KOVMRAGAJUKWAZ-RBUKOAKNSA-N 409.452 1.968 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 557746476 IZABAKYLZSSKCE-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)o1 561496335 NUSSHBMUOUVVEK-UHFFFAOYSA-N 409.851 1.717 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 583276378 XLWAQTZAYZNLTG-UFYCRDLUSA-N 418.586 1.937 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1c1ccco1 584141798 PPTKYDAHMKRAMU-ZBFHGGJFSA-N 407.496 1.732 30 10 HDEE N#Cc1ccc(OC2CCC(NS(=O)(=O)CCN3C(=O)CCCC3=O)CC2)nc1 585354072 LRFDSPNZJHJGBZ-UHFFFAOYSA-N 420.491 1.102 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(F)c1 586859182 VAKPWLZQLXFVGO-UHFFFAOYSA-N 422.420 1.399 30 10 HDEE COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586860454 GOCJHMGUTHWNMY-UHFFFAOYSA-N 412.465 1.913 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 587866624 HBMUIAZOBGTTCL-GXZWQRSESA-N 413.453 1.360 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 603787049 HQJUCKAOVHYCGW-UHFFFAOYSA-N 405.479 1.165 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 611837406 VLYNPAUIMOGEDJ-UHFFFAOYSA-N 422.898 1.897 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1ccc(-n2cnnn2)cc1Cl 729184910 WVUFYZOSQCSVOE-UHFFFAOYSA-N 402.823 1.447 30 10 HDEE C[C@@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732665944 BCLZONGCNSOBOY-LIRRHRJNSA-N 405.861 1.876 30 10 HDEE CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732708173 OZPKCSGKUWBINA-OAHLLOKOSA-N 420.897 1.893 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)NCCCN2CCCS2(=O)=O)ccc1OC 733648844 XMUFWFTYVMRLHD-INIZCTEOSA-N 424.523 1.601 30 10 HDEE C=C(Cl)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 735969744 OPKFXZMUGDBYFW-AWEZNQCLSA-N 412.947 1.655 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccccc3OC)cc2C1=O 744208103 BMSPOPVKQVIYBS-UHFFFAOYSA-N 400.412 1.596 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746529637 CHUFGGFRWJNETR-FLIBITNWSA-N 413.455 1.803 30 10 HDEE Cc1cc(NC(=O)COC(=O)c2ccc(C#N)cc2C)n([C@@H]2CCS(=O)(=O)C2)n1 748408728 ZSPSUYMEEOPLMJ-OAHLLOKOSA-N 416.459 1.527 30 10 HDEE CCN1C(=O)[C@@H]2CN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CCN2C1=O 752332279 HYSXBFCCSKHRMY-PBHICJAKSA-N 404.430 1.192 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 756751474 QIFHJTQLBZYVMD-RYUDHWBXSA-N 416.293 1.540 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C#N 756894493 NTHSIFBCCUAOED-WCQYABFASA-N 403.464 1.870 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 758991352 BGCVMPRPDHAXNE-ONGXEEELSA-N 414.384 1.852 30 10 HDEE Cc1nccc(N2CCN(CC(=O)[C@@H](C#N)c3nc(O)c4ccccc4n3)CC2)n1 759892346 XXMWUBHWORDSQK-MRXNPFEDSA-N 403.446 1.432 30 10 HDEE C[C@H]1CC(=NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)NO1 765374801 ZIPPXISPRPXVFY-GXFFZTMASA-N 416.297 1.841 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 778679942 SGFXZLGHGVTONV-RBUKOAKNSA-N 400.479 1.517 30 10 HDEE C#CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1 783966394 OOUPYXITVCTOBZ-GFCCVEGCSA-N 402.881 1.989 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCC#N)C1=O 784125397 OWFYSNQIZVDDKP-QGZVFWFLSA-N 412.519 1.861 30 10 HDEE C=C[C@](C)(CCOC)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 784625064 XQEZPUXQRKEMEQ-GOSISDBHSA-N 400.497 1.432 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c(Cl)c1 786913314 RPMNSVGEIJRQRK-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](O)Cc2cnn(C)c2)n1 787992432 KVPUZWCIBGNKCF-GFCCVEGCSA-N 405.509 1.076 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)n1 790108025 PIUXJAPTJCCEJT-UHFFFAOYSA-N 414.531 1.966 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CCn3cncn3)CC2)CCCN1C(=O)OC(C)(C)C 790659552 JZNBARVGHHWQFL-NRFANRHFSA-N 418.542 1.768 30 10 HDEE COCC1(CNC(=O)[C@@H](C)n2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)CC1 791424591 HPJPZHGRMDEFRL-CQSZACIVSA-N 406.487 1.491 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)N1CCN(c2ncccc2C#N)CC1 794898285 YMELHAIZXIEZDS-QGZVFWFLSA-N 415.494 1.628 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C1 796129303 NYLZKTJRYAMVQW-HOTGVXAUSA-N 413.503 1.579 30 10 HDEE Cc1ccc(CN2CCCN(C(=O)COC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 798741783 CRBPRYNWCZQTGG-KRWDZBQOSA-N 410.478 1.297 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 799836953 KQJDHZIORGHIDG-UHFFFAOYSA-N 417.897 1.661 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 803524726 AWDCXECCKPLHCB-LJQANCHMSA-N 412.511 1.913 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)F)cc1 805017443 VXWASHKUADIMCZ-UHFFFAOYSA-N 416.427 1.912 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 809884761 MOCCRGVLOCCMDF-MRXNPFEDSA-N 419.507 1.514 30 10 HDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914551484 FBZCKRWPEXKQOU-HNNXBMFYSA-N 406.483 1.951 30 10 HDEE C#CCN(C(=O)COc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 918754694 BRDKFZZYQOLWTD-GFCCVEGCSA-N 404.257 1.616 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)n1 1084285957 HZUJJLBSJXYRIO-UHFFFAOYSA-N 404.481 1.639 30 10 HDEE C#CCO[C@H](C)C(=O)N(CCC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1124189485 KVDIOJWKGBGWRH-MRXNPFEDSA-N 412.490 1.997 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1124368528 YXADKQWROZHOIA-CYBMUJFWSA-N 415.309 1.320 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1129457587 JFMMIJLFQAFHSG-HNNXBMFYSA-N 402.451 1.029 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1130302806 KBVBUIYLWHHRDV-QGZVFWFLSA-N 420.531 1.521 30 10 HDEE COC(=O)[C@@]1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCCC(C)(C)C1 1131384123 NWOXNGZLCBZJRG-LJQANCHMSA-N 407.492 1.353 30 10 HDEE COC[C@@]1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1131766632 UIQFQBPOVCWJOE-HXUWFJFHSA-N 421.519 1.223 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NCC(=O)NCCN3CCCCC3)C2)c(F)c1 1140743266 DMIOPCMIYWNPKH-KRWDZBQOSA-N 401.486 1.242 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1141562947 KNUNRBYJWNNILU-CQSZACIVSA-N 423.901 1.992 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(-c3ccncc3)n[nH]2)ccc1F 1142373368 SOBHWUBELGIYPD-UHFFFAOYSA-N 416.438 1.400 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@]1(O)CCCN(Cc2ccccc2)C1 1151224283 GOGFIFKAKYZCSR-OAQYLSRUSA-N 410.478 1.084 30 10 HDEE Cn1nccc1[C@@H]1CCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1156567243 WDKPKVYLJDIFCS-WMZOPIPTSA-N 406.446 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@H](C#N)CO)Cc1cc(F)c(F)cc1F 1157962450 DDUSIIQTUSWUDZ-VXGBXAGGSA-N 401.385 1.930 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)n1 1160793926 ICDASQDXEAKNBK-SJLPKXTDSA-N 417.347 1.888 30 10 HDEE Cn1c(=O)[nH]c(NCc2ccc(Cl)cc2I)c(C#N)c1=O 1163178899 IDROJYBOTOBKRA-UHFFFAOYSA-N 416.606 1.815 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4COC(=O)N[C@@H]4C3)ccc2c1=O 1164671751 FYFUBTKMKGSLCN-SWLSCSKDSA-N 400.460 1.442 30 10 HDEE N#C[C@@H](C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)c1ccccc1 1165471056 IAWUZSAFOVCZLP-HZPDHXFCSA-N 413.503 1.844 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1221490790 NPWPSPRWSAOVAR-UHFFFAOYSA-N 404.536 1.368 30 10 HDEE Cn1nccc1[C@H]1C[C@H](NC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCO1 1226375609 FTVKONPYLFTDEI-IEBWSBKVSA-N 409.494 1.875 30 10 HDEE CC(C)O[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOC1 1227632777 PYXKUUGADRIKJH-NQIIRXRSSA-N 400.479 1.542 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 1230747177 VQLBKRPTKMJDAU-UHFFFAOYSA-N 401.510 1.420 30 10 HDEE Cn1cc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(Cl)cc21 1234250120 XHLXTTOBXACGPO-LIRRHRJNSA-N 420.922 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1286275092 MUJLDLWLMAOFGQ-MRUHUIDDSA-N 403.527 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCCN(C)S(=O)(=O)CC 1286406303 VRTGCKIPABSLHF-UHFFFAOYSA-N 413.547 1.998 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CC(OCC)C1 1286415125 KJHYWAAEUSHLKD-LCUHEZEJSA-N 402.495 1.005 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H](C)N1CCN(CC)CC1 1286425732 VQJXPPMJOBPZQC-HXUWFJFHSA-N 407.566 1.773 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ncccc2F)CC1 1286481837 YGCNLECHZSDRHD-MRXNPFEDSA-N 400.458 1.150 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCCN(CC)C(=O)C1 1286557356 UQPOLVPVZPNMJH-LNLFQRSKSA-N 403.527 1.822 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286559281 VSZPCRNHQICMDV-OXQOHEQNSA-N 402.543 1.222 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1 1286565516 AOZKVIYDAAZSQW-HNNXBMFYSA-N 421.571 1.800 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1286758448 NTFDMNQVDSQDQA-OAHLLOKOSA-N 413.544 1.214 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@H](CC)C1 1286793548 HFBSMZGOPNEGLM-CUSZFKRNSA-N 407.515 1.308 30 10 HDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1288629678 XKUCYPWAHCYEHV-INIZCTEOSA-N 420.525 1.222 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1288990672 OVHDUSLTYRDBNX-DYESRHJHSA-N 410.478 1.324 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCO[C@@](C)(C#N)C2)cc1 1289339099 KZCYEQKQNADCKT-IBGZPJMESA-N 407.492 1.431 30 10 HDEE C#CCCN1CCN(C(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1292437768 QHNHRWJJUIVKBP-INIZCTEOSA-N 401.511 1.915 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1297529257 JVYHSCFEDCGMTH-OAQYLSRUSA-N 414.510 1.268 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1300295180 DJIPSXSSYOTBGS-DYESRHJHSA-N 414.579 1.949 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cn2ccsc2n1)[C@@H]1CCS(=O)(=O)C1 1300499950 ZUSLUTNPFREVDX-CQSZACIVSA-N 404.521 1.225 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCn2ccnn2)CC1 1300693048 QRMOFIKJVASARY-UHFFFAOYSA-N 406.494 1.391 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1)c1cc[nH]n1 1300971069 CRKDXUOSMSBREN-KBPBESRZSA-N 422.482 1.520 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)[C@]2(O)CCCOC2)ccc1F 1301312146 BACGNXVAFOEEFL-IBGZPJMESA-N 414.499 1.588 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1301490915 IGNZZGJLZVWJMK-GOSISDBHSA-N 423.521 1.385 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC)CC1CC1 1301497328 SNOXQNUOOSGDED-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](n2cncn2)C1 1301507999 CNTZNNOICZOROV-MRXNPFEDSA-N 412.523 1.666 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1303473073 RPFZNWSYWHWQLR-UHFFFAOYSA-N 422.580 1.998 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NCCCO[C@H](C)c2ccccc2)c(=O)n1C1CC1 1307383561 FMVQGRAMUNQSNS-MRXNPFEDSA-N 410.474 1.809 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1309485541 FKOXGNRXSAABME-SWLSCSKDSA-N 403.501 1.392 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)OC 1309572678 FSXNXLPKRBZFQV-NSHDSACASA-N 405.226 1.509 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1316297968 RVIKRILVNDZFIG-ZOBUZTSGSA-N 420.514 1.036 30 10 HDEE C=CCn1cnn(CN2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1=S 1338429847 PFHWEMYQXAEIKV-UHFFFAOYSA-N 408.553 1.288 30 10 HDEE CSc1nn(-c2ccccc2)c(NC(=O)C[C@]2(C)CCS(=O)(=O)N2)c1C#N 1355838007 YCXMPWVSXMRRSB-KRWDZBQOSA-N 405.505 1.876 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1358911444 UJXLILKJWGTQDA-LJQANCHMSA-N 420.517 1.995 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358956908 MHHSBJHHOPQUKG-QLFBSQMISA-N 416.494 1.843 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(C)CN(C2CC2)C1=O 1358971793 JAQQNQNEHPHQPE-JOCHJYFZSA-N 418.457 1.937 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359142270 DNMUKOUTDFOEKM-WMLDXEAASA-N 418.947 1.770 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1359287516 HPOHIFIPPOXIMI-IKGGRYGDSA-N 409.556 1.814 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccccc2)C1 1359291034 BUKQPMDLUWJCBU-QGZVFWFLSA-N 412.494 1.296 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1359299758 MXNZSPGKHKXEDH-KRWDZBQOSA-N 412.494 1.557 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1359301832 MRIBVFHDIYTBPX-SFHVURJKSA-N 415.542 1.498 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359309462 SLSLZXGCEORGLO-HXUWFJFHSA-N 424.549 1.942 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1360206619 BVEIQPWSYFUQKC-RDTXWAMCSA-N 406.462 1.401 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OCC 1438908163 MMPXZEBXEHVCOQ-OAHLLOKOSA-N 406.460 1.621 30 10 HDEE C=CCOc1ccc(CC(=O)N2CC(=O)NCC23CN(C(=O)OC(C)(C)C)C3)cc1 1438999826 OEYHNBUGOYHOOX-UHFFFAOYSA-N 415.490 1.742 30 10 HDEE C#CCN(C(=O)/C=C\[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1442020412 VYLVSKCBOJXLEY-JIPXFFRKSA-N 410.536 1.839 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3c(s2)CS(=O)(=O)CC3)c1 1451368255 KURVXNOODCRUJU-UHFFFAOYSA-N 424.525 1.663 30 10 HDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1456730953 CLHPDBXPLDFPJQ-UHFFFAOYSA-N 420.516 1.013 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(=O)n1CCO 1459234576 CEKNGUINFISZST-AWEZNQCLSA-N 410.430 1.148 30 10 HDEE Cc1csc(CC2(O)CCN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CC2)n1 1460411748 SFLARGNPNFWYEM-SFHVURJKSA-N 419.595 1.513 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1cccc(C)c1C 1460605420 RWAPFENYAJCOSV-QGZVFWFLSA-N 421.519 1.212 30 10 HDEE N#Cc1cccc(OCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1463447450 NTIJZMRWZPPRNN-CJNGLKHVSA-N 402.394 1.905 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1OC)C(=O)OCC 1463733807 WHRKOYGVZVYKFI-ZDUSSCGKSA-N 403.428 1.797 30 10 HDEE C#CCn1cc(CNS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)cn1 1464044275 YUVRYVZWHKHEPS-UHFFFAOYSA-N 414.487 1.258 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1464127623 IGWYVTOWDFWPPQ-KGLIPLIRSA-N 423.963 1.810 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3nccn3)cc2)s1 1464526020 HJZLQYJFNXOGAD-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1464864452 WCGKLOOUFKNCSC-UHFFFAOYSA-N 414.549 1.440 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(S(C)(=O)=O)ccc2N)[C@@H](C#N)C1 1465696575 LCJNBFKYOIDOPC-LBPRGKRZSA-N 408.480 1.257 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)c2nc(O)c(C#N)cc2C)C1=O 1465726367 RGWKCUUZFZLDKQ-GFCCVEGCSA-N 400.416 1.351 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCSc3ncnc4[nH]cnc34)C2=O)cc1 1467706254 GHJRYGPWRDXKPD-OAHLLOKOSA-N 421.486 1.624 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1468479662 JIMBBQVGRWONAJ-HNNXBMFYSA-N 406.891 1.885 30 10 HDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1470336045 RFXMAHWXMSJNSE-INIZCTEOSA-N 420.418 1.343 30 10 HDEE CN1CC[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC[C@H]21 1471214488 HYKURGLHHCULAS-UYAOXDASSA-N 416.547 1.512 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CC1 1471236992 ATBBOICBGJPEPX-UHFFFAOYSA-N 403.442 1.763 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(C)C 1472565407 UHMPOBXJAKTSNI-IBGZPJMESA-N 423.554 1.930 30 10 HDEE CN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@H](O)c1cccc(C#N)c1 1473620674 ORJSDDAQPITIFT-HNNXBMFYSA-N 400.401 1.003 30 10 HDEE CN1CCN(C(=O)c2ccc(CNC(=O)NCCc3ccc(C#N)cc3)cc2)CC1 1477397566 CSCSIOLQMJIBCE-UHFFFAOYSA-N 405.502 1.988 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1478232549 CKTISKCSYNRTJV-FQEVSTJZSA-N 419.547 1.792 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccc(Cl)cc1 1478894863 RXLVSOFXZOJDPU-INIZCTEOSA-N 416.865 1.017 30 10 HDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@H]2C)c1 1492623550 HCSNLJQNWUZTPU-MRXNPFEDSA-N 404.478 1.689 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](CC(N)=O)C2)C1=O 1503672017 DYZRYCNEVKDHIU-ZHRRBRCNSA-N 421.505 1.387 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1504966241 RNZMAFHGKGTISP-IFXJQAMLSA-N 420.445 1.467 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(C3CC3)n1CC(=O)NCC(F)F)C2 1505316618 FBFMYXOGZSXQSF-UHFFFAOYSA-N 403.393 1.072 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1507741517 VYOBIZOKAAJVKI-DLBZAZTESA-N 403.527 1.596 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1507957097 KQXHZWZYYDVMIL-QGZVFWFLSA-N 414.514 1.540 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)n(C)c1=O 1508042020 RJXDJOMMEUVPRC-UHFFFAOYSA-N 414.510 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@H](CC)C1 1508140624 JCXYPHNGAPUKTL-KGLIPLIRSA-N 413.569 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC=C(COC)CC1 1508142548 ABOYVJDKCNWJHH-UHFFFAOYSA-N 417.535 1.648 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cn1 1508291492 HFYSZDVIVBJCFA-IRXDYDNUSA-N 411.466 1.303 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(C(N)=O)CCCC2)CCOC1 1508409897 CQAAOFQXTWKTOH-HRAATJIYSA-N 418.542 1.960 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1515078858 NOFLMFQHACQQBI-PMACEKPBSA-N 422.505 1.677 30 10 HDEE CCOCc1nnc(N2CCSC[C@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1516622149 JOCWIYMSVDJKOF-VLUKHXRESA-N 406.512 1.283 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CCO1 1518913453 DCWHZMSEPNOKJL-MRXNPFEDSA-N 411.491 1.877 30 10 HDEE Cc1c(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)cnn1CCC#N 1519081380 JYUIMNHHWUZYHZ-UHFFFAOYSA-N 418.475 1.483 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1 1528416149 YKAIAQLUZRCYBY-NSHDSACASA-N 422.239 1.966 30 10 HDEE C#CC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 1529675870 NNPJUXFZYLOQEV-UHFFFAOYSA-N 403.504 1.025 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1531183917 ZBWRDCUBYWLEBE-UHFFFAOYSA-N 421.519 1.286 30 10 HDEE COC(=O)[C@@H]1CSCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535048162 BDBWRIRHARPCTI-DOMZBBRYSA-N 407.879 1.682 30 10 HDEE CN(C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cc(C#N)ccn1 1537536530 FXPFVQPXZDTNCV-UHFFFAOYSA-N 414.487 1.570 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539139731 NWAVJXINPJIEDJ-MRXNPFEDSA-N 411.462 1.920 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1539202139 GIRSEOLYWDQBCP-MSOLQXFVSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2F)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1539219409 JRHRRHDSDLJAES-RDJZCZTQSA-N 420.510 1.670 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1539361852 HFEWZSIYHQMEIL-MRXNPFEDSA-N 401.492 1.141 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539446892 LLLNCSAFYQXZID-SFHVURJKSA-N 414.554 1.186 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)NC)ccc2OC)s1 1541047330 JBOPSTUXSZDMOX-UHFFFAOYSA-N 423.516 1.762 30 10 HDEE CC(C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1541326303 GCGMHETZAUFZQD-UHFFFAOYSA-N 405.524 1.971 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2ccc(Br)cc2=O)n1 1543691201 DLTCCERALNIJFY-UHFFFAOYSA-N 407.268 1.116 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCN(CC#N)CC3)nn2)CC1 1544073208 VWKDSBJZYKTWFT-INIZCTEOSA-N 417.514 1.522 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1545219998 LURPONOQRWQHGQ-NRFANRHFSA-N 407.478 1.980 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C[C@H]1C 1547637752 ARFBROMBLQRALC-HZPDHXFCSA-N 405.510 1.912 30 10 HDEE COCCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1555606460 PICRJKDGSCWYMC-UHFFFAOYSA-N 424.505 1.321 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C)n(C)c1=O 1555728490 KITFRKWERUECEE-NJAFHUGGSA-N 414.510 1.796 30 10 HDEE C=CCOC[C@H](NC(=O)c1cnn(-c2ccc(Br)cc2)n1)C(=O)OC 1556375982 YIRXMAXHKPBTGA-AWEZNQCLSA-N 409.240 1.504 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](n2ccnn2)CC1 1557709313 VYHGFPPEAKABAR-GDBMZVCRSA-N 402.480 1.070 30 10 HDEE C#CCN1CCN(C(=O)CN(C)C[C@@H](O)COc2cc(Cl)cc(Cl)c2)CC1 1560068429 PHQDENXJTQTKFD-QGZVFWFLSA-N 414.333 1.442 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 1561675209 FTKMFNKMAPTNAZ-YOEHRIQHSA-N 403.522 1.370 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)O2)CO1 1564690558 UBZLWELKCGVJAN-HCBXPFHNSA-N 412.490 1.685 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1 1564798526 DPWSSTRAEWEJTE-LJQANCHMSA-N 416.503 1.684 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)C1 1565262118 QLVUUEOZBVUJNK-PBHICJAKSA-N 407.268 1.762 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1565317332 OVIGDPBFBZESOM-UHFFFAOYSA-N 406.487 1.251 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc(C#N)c2Br)CC1 1565589831 AUCGNCPNMXXSRT-UHFFFAOYSA-N 403.280 1.218 30 10 HDEE N#Cc1ccc(NCC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)nc1 1565684785 CJOVSYURPRPCAH-IBGZPJMESA-N 406.490 1.379 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)c1cnn(C)c1 1568181300 PEWGJJDFSVFCHH-INIZCTEOSA-N 417.466 1.764 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)[C@@H](C)CS(C)(=O)=O)s1 1586097369 JHLBANRDJWZMRP-LBPRGKRZSA-N 408.567 1.037 30 10 HDEE CC(C)OC(=O)C(C)(C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1586125860 GYNSPONZWPARLC-HNNXBMFYSA-N 400.435 1.610 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)CC1(C#N)CCOCC1)c1ccc(S(C)(=O)=O)cc1 1586183423 NNRZMLJXZSRNCS-IBGZPJMESA-N 422.503 1.695 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)cc1 1587184835 BSGPOCBRCIKFBC-OAQYLSRUSA-N 412.515 1.958 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C(=O)OCC 1587286322 YYBZTLADKDZJPH-LBPRGKRZSA-N 410.826 1.434 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCOC[C@H]2CNS(C)(=O)=O)cc1OC 1587457293 XGYYYTVQSNWZIB-QKIRZYONSA-N 410.492 1.050 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1587574945 NSMHAZIHMTVGDZ-LLVKDONJSA-N 401.272 1.737 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1587808442 RKSMPPAELTUWGW-SJORKVTESA-N 412.556 1.819 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCC(=O)NC 1589068922 GCFVDAUJLLGKSX-QGZVFWFLSA-N 415.519 1.729 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1594824470 IHYWNEGRACSMKZ-OAQYLSRUSA-N 413.526 1.591 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1595381837 ZHCZUMQEOOSHMF-QZTJIDSGSA-N 424.553 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(CC)Cc1cnn(C)c1 1595785301 WITDEPBJBNCYCG-UHFFFAOYSA-N 403.512 1.634 30 10 HDEE N#C[C@@]12CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1597361669 JNNKMOUUQARKBW-JXFKEZNVSA-N 416.503 1.327 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1Cl 1609506587 DAEWDIWGBLRFGZ-AWEZNQCLSA-N 418.885 1.877 30 10 HDEE Cc1cccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)n1 1612223051 AKFWCIJGDFLDJD-UHFFFAOYSA-N 422.514 1.998 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1612878801 XSGUBFSVHOOVCX-APWZRJJASA-N 424.505 1.679 30 10 HDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)s1 1613904125 HNCFDPNWRVNPPP-LBPRGKRZSA-N 410.507 1.979 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1 1615937775 HAKAKTKDXSOBIV-UHFFFAOYSA-N 419.489 1.716 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cnc(OC)c(C#N)c2)C1=O 1617049430 YQUPAZNKVJNEQY-OAQYLSRUSA-N 423.429 1.685 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCOCC1(C)C 1619912951 QNHYEOFCXOEPOK-GOSISDBHSA-N 420.558 1.649 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@@H](O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1 1620507530 OLWNXYYFBDEQQE-YUVVGHDESA-N 415.534 1.916 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 1622979458 GVHRRRMVMVTAAE-KKUMJFAQSA-N 400.483 1.546 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)c1cc(Cl)ccc1OC)c1cc[nH]n1 1624037150 PSNXDJGUMZXEBS-CQSZACIVSA-N 424.841 1.205 30 10 HDEE Cc1ccc(F)c(N)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624067296 NCTUPFUDAYYVRR-UHFFFAOYSA-N 402.451 1.735 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1625790302 CREXFTMPPFMOJM-CVEARBPZSA-N 416.540 1.345 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)CC1 1626966842 SOINRICFPSNVGW-SFHVURJKSA-N 422.570 1.457 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(NC(=O)N3CCOCC3)CC2)c1Br 1627099198 XMVJFTLWQYXCNR-UHFFFAOYSA-N 421.295 1.967 30 10 HDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C)CN1CCO 1630284657 SXFSRACGSMZSAO-ZIZALFOXSA-N 420.554 1.687 30 10 HDEE C#CCN(C(=O)N[C@H]1CCc2nc(C)nn2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1631036547 YNFPURYKUYQDGI-INIZCTEOSA-N 416.526 1.946 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1631455862 AGLWSYYXNLCCBK-UXHICEINSA-N 405.458 1.614 30 10 HDEE N#CCN1CCC(CNC(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)CC1 1633568671 WPCGWDDXYZJFRU-IBGZPJMESA-N 400.479 1.376 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cc(F)cc(F)c1 1639222594 WNFUSKWNKDLRKS-UHFFFAOYSA-N 407.398 1.393 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(c4nc(N)n[nH]4)CC3)CC2=O)cc1Cl 1641801638 HGKFLBYRLDHBQQ-ZDUSSCGKSA-N 413.869 1.671 30 10 HDEE N#CCCN1CCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1642915669 HFLTZRARAPEZQL-UHFFFAOYSA-N 404.414 1.042 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1643543460 SJOIPDDGEBTDOK-YOEHRIQHSA-N 411.480 1.581 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncn(C)n1 1643623153 FDBAFKKPPOOUEA-HNNXBMFYSA-N 418.523 1.161 30 10 HDEE C=CCCC[C@H](NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C(=O)OC 1645502584 FMLRCMRCPFNZOX-KRWDZBQOSA-N 402.495 1.525 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](O)c3c(C)nn(C)c3C)ccc2c1=O 1648002353 LYEIEOVKPCRVJG-INIZCTEOSA-N 413.503 1.685 30 10 HDEE N#C[C@@]12CN(Cc3csc(CNC(=O)c4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1648415194 DSAGBMRHZJUAAZ-KXBFYZLASA-N 416.528 1.443 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1648535711 YINKSWUKONQCBR-SWLSCSKDSA-N 418.519 1.389 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1652521492 REIFRHDQMZWNSB-WXRFYESLSA-N 409.508 1.173 30 10 HDEE COC(=O)c1c(C)cc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)nc1C 1653533733 ZVRIPNAVXMSZAI-UHFFFAOYSA-N 416.459 1.848 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 1662708685 TZKLUGFXFAARAH-YJYMSZOUSA-N 405.476 1.174 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)C1 1663711995 GTUWXXOZOBLGHI-HPGBDJQBSA-N 405.524 1.620 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1681943984 YCQXADHSOKVEEA-DYVFJYSZSA-N 415.487 1.475 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384337 BRGRFZCTFZVVFH-IBGZPJMESA-N 419.551 1.246 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)C1 1685177204 NSWXNLLIWGUOQZ-QRYYFKOISA-N 413.503 1.515 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCc2ccc(N3C(=O)N[C@](C)(C4CC4)C3=O)cc2)CCO1 1686446837 RPROSTURUBDJNU-LEWJYISDSA-N 411.462 1.736 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCS(=O)(=O)C1 1687259227 LLEGLNXYVIAZGV-CABCVRRESA-N 413.902 1.890 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1689913451 OJJRZSXBRCCJOO-JKSUJKDBSA-N 409.556 1.433 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCC1CC1)[C@@H]1CCS(=O)(=O)C1 1689997097 VUUJYGGNKVRMPO-GOSISDBHSA-N 416.551 1.567 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCCn1cc(CO)nn1 1690035691 HMFBYMNLGGMHBJ-UHFFFAOYSA-N 419.489 1.591 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)NC)c1 1690046124 XVMLAOFDIXMJBH-IBGZPJMESA-N 418.501 1.294 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@@H](F)C1 1690093554 CEIYUQGNNISUGJ-RRFJBIMHSA-N 401.508 1.113 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1690110708 WUXUFXZIHQWMKZ-MSOLQXFVSA-N 402.543 1.233 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCOCCOC)CC1 1690119756 RIQUGTKGCFVWHR-UHFFFAOYSA-N 413.478 1.092 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@](C)(C(=O)NC)C1 1690154727 XTYIJJSPISLRSI-FQEVSTJZSA-N 420.583 1.525 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1690248255 LWTMMNPLGURUDJ-ZWOKBUDYSA-N 416.570 1.611 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690309649 GHYZMEJMLCBBDL-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1690326919 HROHWYSVCRNNLK-SFHVURJKSA-N 401.858 1.537 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CNC(=O)C2)C1 1690510904 JEMRSUWUNAYFJE-NRFANRHFSA-N 413.526 1.449 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1690597041 HVBBQNNMXRFUNH-QGZVFWFLSA-N 419.507 1.518 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690667038 OJDQPQXVONDWEL-QZTJIDSGSA-N 408.506 1.803 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690743537 CGRQNJSJHCIXPU-AWEZNQCLSA-N 420.539 1.222 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1691001587 LAJJPFVBWOIZQO-KGLIPLIRSA-N 405.503 1.740 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O)C1CC1 1695537291 FZFLFVWAXDSZRY-UHFFFAOYSA-N 400.508 1.841 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N1CCO[C@@H](C#N)C1 1696477657 FPUQSGKVTHJWOX-HNNXBMFYSA-N 415.475 1.855 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1705522630 JWCDMTCEOCYKIM-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705555488 NLEARYHNTNOVKR-GOSISDBHSA-N 414.579 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705581106 WUVZHPANXOSXOL-NRFANRHFSA-N 421.549 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)c(OC)c1OC 1705583087 PTXYBPWAAMVSOH-QGZVFWFLSA-N 410.474 1.929 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1705612134 AGBNOOCLPGUTHT-LJQANCHMSA-N 418.457 1.792 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728659 ROGRPOZWNVJYMB-LAUBAEHRSA-N 418.542 1.935 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705811141 SJKWGFJXNPYKEF-HOCLYGCPSA-N 412.560 1.159 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1705819066 CITWXVJEQXVDPQ-MRXNPFEDSA-N 421.527 1.004 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1705903301 SEGUULXHMGWKBV-QGZVFWFLSA-N 420.558 1.021 30 10 HDEE Cc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)c(=O)n1C 1707494900 HFUCWADOHQXUJD-UHFFFAOYSA-N 417.473 1.199 30 10 HDEE CC/C=C/Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1709380127 GWAIEFCVDAMFAA-MOEXGYKKSA-N 423.525 1.759 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1cnn(C)c1 1712453203 FPOJKFDTUBLBBT-UHFFFAOYSA-N 409.450 1.822 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCc1cnn(C)c1 1722282055 KVYPHNFEQHTLTA-MRXNPFEDSA-N 416.493 1.745 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCC(CO)CC2)cc1 1722353320 NUXWATABHFLCLU-FQEVSTJZSA-N 422.533 1.556 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1722431938 QOLCNJKTNTYELK-ROUUACIJSA-N 423.521 1.496 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(CC)CC 1722475520 VAEOHLPVPJIQBV-FXAWDEMLSA-N 407.584 1.904 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722627960 VANXTDAJAVYZDO-DYESRHJHSA-N 421.542 1.578 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)nc1 1722681277 ISGRZZOWPYNSAY-KRWDZBQOSA-N 405.524 1.571 30 10 HDEE C=CCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N(C)CCNS(C)(=O)=O 1722682339 ANVVFQIKWWIMRG-UHFFFAOYSA-N 401.496 1.507 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1722699270 FDCPUPDQAZBHFD-UHFFFAOYSA-N 416.486 1.725 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCS[C@@H](C(C)C)C1 1722731509 MNMNQTKPBLHAFW-OAHLLOKOSA-N 402.586 1.993 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1NC(=O)CC1(C)C 1723307986 MMIQGTABWFGILF-QGZVFWFLSA-N 423.521 1.926 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1723341135 DPUIYGPUANADSM-GOSISDBHSA-N 412.494 1.731 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1728695605 AHAFKGZASCWVPV-UHFFFAOYSA-N 421.465 1.272 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCCc2ccccc2)C1 1731180828 DWKKPXMZTPNRDE-DYESRHJHSA-N 412.469 1.930 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCOC2CCOCC2)CCO1 1731190995 XBHBACDHMHUNOR-QZTJIDSGSA-N 405.499 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(=O)NC)c1 1740531610 PGLBWFUHXRZTNO-HNNXBMFYSA-N 417.473 1.791 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740592775 HTIKJESZNSXMFE-UHFFFAOYSA-N 416.551 1.443 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1740598828 FZQXSOBEVMDQQX-UHFFFAOYSA-N 413.445 1.624 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCc1nnc2n1CCCCC2 1740636159 UXFIZNYTVLCCPZ-UHFFFAOYSA-N 402.506 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2cncn2)nc1 1740652083 QXTLJNQUGNXMML-UHFFFAOYSA-N 412.461 1.166 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCc2cccc(C(=O)NC)c2)CC1 1740697248 XCBRQUBBPUPUHP-UHFFFAOYSA-N 408.550 1.834 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740862613 ZGPOOBCBIJFDOZ-CQSZACIVSA-N 415.498 1.106 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@](C)(OC)C1 1740950803 HXKGVLZXUDTXEH-FQEVSTJZSA-N 406.531 1.504 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1740955150 NRBMRRHTAYVVAD-NRFANRHFSA-N 413.478 1.252 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(CC)C1CC1 1740959419 VBHZAOFYEOOTQQ-UHFFFAOYSA-N 417.539 1.529 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740986543 ZZFDKSHFSBJVIF-IYBDPMFKSA-N 409.556 1.597 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1740988543 IPPIRODKBBFAGV-IBGZPJMESA-N 403.508 1.248 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnn(C)c1C 1740991044 MXIXNPQHAYVKGI-INIZCTEOSA-N 422.555 1.451 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(N(C)C)nc1 1742835056 BOMFOUYNJITKMP-OAHLLOKOSA-N 418.509 1.473 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC(=O)N(C)CC 1743743539 FYMULAQSEDRABA-INIZCTEOSA-N 410.526 1.863 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1747366112 IUADLTPOMRBNNR-MJGOQNOKSA-N 424.505 1.728 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1747971432 CNKWWRFXPGHMNJ-UHFFFAOYSA-N 408.506 1.932 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1748646759 DHRBVYDYJYTTBU-KXBFYZLASA-N 412.556 1.601 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1748815562 RFKVKWWYGUPXLI-OAHLLOKOSA-N 405.549 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1748825661 BSCJNHUSMSWPBM-QGZVFWFLSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nncn1C 1748835824 JUOLENVDTATJTN-UHFFFAOYSA-N 419.489 1.992 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(C)noc1C 1748949641 GQTNIPDKXXQORR-FQEVSTJZSA-N 403.483 1.669 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](COC)OC)CC1 1748999445 WKLCUZBOWNPRQO-HXUWFJFHSA-N 413.522 1.582 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1749398926 VXXBKWKMKMXZBQ-UHFFFAOYSA-N 415.498 1.824 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1749590899 ISYCPCBKARDKRS-LAUBAEHRSA-N 401.511 1.677 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1749627115 DLTSTOLUVZQVBU-UXHICEINSA-N 418.586 1.589 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccn2)CC1 1749676084 DDRZKYGYMIFIPB-UHFFFAOYSA-N 418.505 1.288 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(CCCO)CC1 1749729741 QJZSPWLFFYWNLH-UHFFFAOYSA-N 421.567 1.873 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOC[C@H](C2CCC2)C1 1749734758 MFSHCUNSCIDLHL-ZWKOTPCHSA-N 424.567 1.636 30 10 HDEE CC1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1752229749 SGBUFIBUDUSQQO-HTXNQAPBSA-N 408.466 1.498 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC(=O)N(C)Cc1ccccc1 1760202369 BTUPIDDSBHPEAI-FQEVSTJZSA-N 405.502 1.904 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1 1760206460 ZTRUZFZQJMRDTG-KRWDZBQOSA-N 400.479 1.635 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)NC)CC1 1760277414 JZIKHCQIVGJQIT-UHFFFAOYSA-N 409.519 1.645 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1760438827 OMTLUAHOTMCZGI-GDBMZVCRSA-N 414.514 1.770 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc2cnccc2c1 1760521247 NIGVQEJERGHSHO-SFHVURJKSA-N 419.489 1.716 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1760696665 SGUMIFQEFPGDKJ-FZFLATATSA-N 420.477 1.386 30 10 HDEE CCn1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@H](C)C#N)c1=O 1765345013 IBWKFNSJKNJLRX-OAHLLOKOSA-N 408.510 1.966 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767244857 LSVCIBMRGNAFOC-STGLLQLASA-N 400.483 1.545 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1nccs1 1767423029 FJDQZWMEBULNNW-UHFFFAOYSA-N 416.532 1.997 30 10 HDEE CO[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1769100745 IPPMWTIENPINMG-DBROBJPSSA-N 416.526 1.864 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]2CC[C@@H]21 1770360645 MSTDQEQPQZCFRZ-WBVHZDCISA-N 400.508 1.745 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccccc2F)C1 1770726847 AREDMLPKDDSXCT-FQEVSTJZSA-N 424.415 1.746 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCC1 1771109175 HBHUKVXZDHKNLL-UHFFFAOYSA-N 403.531 1.365 30 10 HDEE C[C@@H]1NC(=O)[C@@H](CC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)NC1=O 1852919112 GKQUNEDPWBAMFK-QPUJVOFHSA-N 403.744 1.042 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(Br)cnc1OCC1CC1 1853051981 VBRJRBRSCFTOGP-UHFFFAOYSA-N 408.296 1.698 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC)cc2OC)C1=O 1854184607 AMXSJYMBAWKDNC-IAGOWNOFSA-N 401.463 1.164 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cncc(N3CCCC3)c2)C1=O 1854194882 WWWHPOSLXNHGQA-OALUTQOASA-N 411.506 1.142 30 10 HDEE CCOc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1854239765 WVEJGLNFHBUIOU-INIZCTEOSA-N 419.503 1.775 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)C1 1855563387 RTTKKXKILNDBBB-OAHLLOKOSA-N 401.463 1.304 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(CCn4nccn4)CC3)CC2=O)cc1C#N 1856008373 DQOLPJASYDFTDZ-HXUWFJFHSA-N 406.490 1.859 30 10 HDEE CCn1ccc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)s4)C3)CC2=O)n1 1856307284 RWBYHWGFQHBZLN-HNNXBMFYSA-N 412.519 1.395 30 10 HDEE CCCCS(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCC2 1856442045 NIBBJBHWIODTOX-UHFFFAOYSA-N 404.492 1.680 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1=O 1856554037 XJSGSMJUKZIODB-GOSISDBHSA-N 418.519 1.448 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(c4cnco4)CC3)CC2=O)CC1=O 1856962133 AKXCARKHWKYXFA-RDJZCZTQSA-N 400.479 1.264 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncc(Cl)cn2)C1)[C@H]1CCN(C)C1=O 1857081047 SZUIWZAFGWKMNQ-ZFWWWQNUSA-N 405.886 1.228 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)n1 1857116526 IZMDDONIHZEDCZ-QZTJIDSGSA-N 412.490 1.456 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1857374095 WGAYKMXCILYKQB-GOSISDBHSA-N 403.504 1.604 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2CCN(c3nccc(O)n3)CC2)nc1C 1859431205 SCMZUZBBZMLTGZ-UHFFFAOYSA-N 418.479 1.051 30 10 HDEE CCOc1ccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 1860734496 COZUXZNIIVNDGQ-UXBLZVDNSA-N 418.471 1.640 30 10 HDEE CCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccn(CC)c1=O 1861280744 WRRSNMGGDCYRPY-QGZVFWFLSA-N 406.527 1.709 30 10 HDEE N#Cc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870107128 UIANFDUZNVNBMG-UHFFFAOYSA-N 411.381 1.304 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N3CCCCCC3)ncnc21 1873560683 IQQGYELJZOPAAT-UHFFFAOYSA-N 412.538 1.748 30 10 HDEE COc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874338077 MPLOWIWYORFAIG-SLSPDHCBSA-N 416.507 1.471 30 10 HDEE CN1CCN(c2ccc(N3CCN(C(=O)Nc4cccc(C#N)c4)CC3)nn2)CC1 1889591463 YFRJLTPVXVBVGM-UHFFFAOYSA-N 406.494 1.454 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1890847058 GWVZITQZJGWYQT-MJGOQNOKSA-N 407.511 1.535 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1891516810 MROGPVAVMYEQNT-UHFFFAOYSA-N 412.396 1.841 30 10 HDEE N#Cc1cccnc1N1CCCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 1968651946 NBATWKHZXBNSJK-KRWDZBQOSA-N 405.458 1.122 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985097076 AFFGOGJBJXRJKB-MRLBHPIUSA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](O)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1986363386 ATCPWDPEODBBAD-MCIONIFRSA-N 410.320 1.813 30 10 HDEE C=C(CNC(=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991971952 YMTYEOIKSLDLMU-HNNXBMFYSA-N 409.336 1.889 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NCc1nn(C)c(Cl)c1I 2054059569 ICLHUCGBAUIXSQ-LURJTMIESA-N 402.645 1.400 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC#N)C(F)(F)F 2124622063 XLIRNJPHJWWOEC-ZJUUUORDSA-N 401.407 1.275 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)O 2151776229 OIZGJLGNRSIWPS-ZDUSSCGKSA-N 417.871 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]12CC[S@](=O)(=NS(=O)(=O)N1CC(C#N)C1)C2 2174788011 ZWPIJTYTNBYVST-AKJBCIBTSA-N 418.541 1.328 30 10 HDEE C#CCN(C(=O)C[C@@](C)(NC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 2180137641 NRWSHGLWISYODR-SJKOYZFVSA-N 408.467 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)=NO2)C1 2195307747 ZRJQARDQWPDAFP-APPDUMDISA-N 401.485 1.420 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1C[C@H](S(N)(=O)=O)CC1(C)C 2239522065 BJLCHSCOINAHEF-OLZOCXBDSA-N 402.517 1.242 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)=C[C@H]1O 2245257567 CNXZLSYWEWQIKD-VMFRVMOISA-N 408.304 1.875 30 10 HDEE Cc1c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247826186 PPVBVATWVZOKCQ-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)OC1(C)C 2247826816 ADENMOYVSTUARN-UHFFFAOYSA-N 408.311 1.667 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247835845 RKYYDLQUWGEKGI-STQMWFEESA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836303 ZXRDEMTWMROZDP-CQSZACIVSA-N 418.303 1.515 30 10 HDEE CN(CCN(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)C(=O)OC(C)(C)C 2247837794 XXQGQVJITGXBDH-UHFFFAOYSA-N 420.319 1.715 30 10 HDEE CN1CC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704572 PULPOGLBMQINTJ-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270507231 CEJCTAWUUNRDHB-FUHWJXTLSA-N 422.503 1.520 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC(CS(=O)(=O)C(F)F)C2)C1 2281230203 GSJVLBSIJHXGET-UHFFFAOYSA-N 406.451 1.389 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282027147 MIAFIIBNOLCOAF-SNVBAGLBSA-N 402.347 1.304 30 10 HDEE Cc1cc(C(=O)NC(C)(C)CS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282192132 SUTRKUFIIQKJLV-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COCC[C@H]3O)cc2Cl)OC1(C)C 2282305067 SVYHTPIUSXINJF-GHMZBOCLSA-N 423.749 1.129 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282314546 AWTRVIUCFXOPHK-GFCCVEGCSA-N 401.359 1.890 30 10 HDEE C[C@@H](O)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282345042 NLYRWTDJPQNIDE-SCZZXKLOSA-N 415.264 1.637 30 10 HDEE Cc1nnc(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)s1 2282493637 VMGFYEBGMRHGLV-UHFFFAOYSA-N 415.371 1.728 30 10 HDEE CC1(C)CNC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282495227 JQTHLAQENXBIQZ-CYBMUJFWSA-N 400.375 1.465 30 10 HDEE C[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282504621 RMDMQAKUEMAGAL-VXGBXAGGSA-N 402.347 1.429 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282837062 AZJGUJHOBXCSOA-CYBMUJFWSA-N 401.359 1.651 30 10 HDEE CCC1(O)CN(S(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282872602 ZDZMNVIFMOTXDC-UHFFFAOYSA-N 401.359 1.810 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284394110 UUUHWTAHOWFAEH-JTQLQIEISA-N 403.693 1.733 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284395770 PHOXNSZCLBSNRJ-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284413301 JDQDBGXTCKXIQK-UHFFFAOYSA-N 423.749 1.656 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(C#N)CC1 2296377343 GMZRPXAIIYBLFK-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccncc1 2296620568 ALZLJKPIUUDION-SFHVURJKSA-N 411.462 1.175 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2329056012 RHUKOBZABIGDDF-CQSZACIVSA-N 418.479 1.877 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336253131 KULNYWCCLUYQEQ-KSSFIOAISA-N 402.582 1.946 30 10 HDEE NCC#Cc1c(F)cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1F 2341181722 KVUMIXDJXMZVGK-UHFFFAOYSA-N 419.409 1.313 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)[C@H]1CCOC1 2365203987 LIDKAXIMGYSFED-HRCADAONSA-N 402.557 1.578 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365209247 FLPMIQGOGPWNFI-ZRGWGRIASA-N 400.541 1.556 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2365212191 PLEJDZQQPMQXAF-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE COCCn1cc(C#C[C@H](N)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cn1 2365963214 YJJCTPIPUGKDKD-RBBKRZOGSA-N 412.490 1.372 30 10 HDEE C=CCC1(N[C@@](C)(CS(=O)(=O)CCC)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2373194769 OZKUMPQRCQQKHZ-KRWDZBQOSA-N 404.529 1.810 30 10 HDEE CS(=O)(=O)CC[C@@H](C(=O)Nc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 15580031 ILYRDBVPAOKTSM-KRWDZBQOSA-N 411.439 1.596 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)c1 20527486 IFVYWULHTRIGAB-DNTJNYDQSA-N 417.451 1.154 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OCCO3)n1 22628873 KSEYVQPRBINUHW-UHFFFAOYSA-N 416.459 1.117 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)NCC(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59820585 RMOUEEAQDQMPSI-CNHKJKLMSA-N 423.455 1.737 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3cccnc3)n2)o1 59879743 FIUIRHZXEQYEDD-KEBDBYFISA-N 401.456 1.390 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccc(O)cc1 101442848 DOTOBEJFZPXAGC-HUUCEWRRSA-N 423.429 1.043 30 10 HDEE COC(=O)C[C@@H](NS(=O)(=O)N(C)CCC#N)c1cccc(Br)c1 109389652 KBNVLPYNFISOER-CYBMUJFWSA-N 404.286 1.733 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C(F)(F)F)c1 301183675 QLEVRPVVBKLXOT-UHFFFAOYSA-N 404.414 1.276 30 10 HDEE N#C[C@]1([C@@H](O)c2c(Br)cncc2Br)CCS(=O)(=O)C1 394544148 WOLBDDDJPGGZBP-WDEREUQCSA-N 410.087 1.968 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2cc(C(=O)OC)on2)cc1 427026638 DTTJVWHJTDRFEO-UHFFFAOYSA-N 407.448 1.591 30 10 HDEE Cc1nc(CN2CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)CC2)n[nH]1 429779061 JQLXWWAJZQSHKF-UHFFFAOYSA-N 404.478 1.848 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)NCc1ccc(-c2ccccc2C#N)cc1 436512297 KDSBPTLZPGCCMR-UHFFFAOYSA-N 401.492 1.420 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)c2)cc1 447747027 RYPMJDCTEHIZOJ-JOCHJYFZSA-N 404.426 1.951 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2C1 460811738 VSXCHUCIIGQQRP-GOSISDBHSA-N 417.535 1.750 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)Nc1cnn(-c2ncccc2C#N)c1 462082402 CPSDAZLSRVEXGZ-HNNXBMFYSA-N 403.468 1.075 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O 465188717 YTLCBZVJEGKDNC-FUHWJXTLSA-N 419.489 1.764 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)cc1S(=O)(=O)NCC#N 473451317 DZOFXUNGVAQHFC-OAHLLOKOSA-N 424.486 1.869 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 487372539 UKTSOABWKMBBCK-PCTKPUDWSA-N 401.444 1.254 30 10 HDEE N#Cc1ccnc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)c1 495257830 WTTGORLZEKADGC-CYBMUJFWSA-N 423.210 1.728 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O 501860546 MJICUFPQKCEFBU-GOSISDBHSA-N 415.494 1.784 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cc(OC)ncn2)CC1 508929140 FYJUVUOUZSVCID-UHFFFAOYSA-N 414.514 1.508 30 10 HDEE CCC(=O)N[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 512974976 IGWAUICDKSFFQX-CYBMUJFWSA-N 412.425 1.339 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccnn3)CC2)cc1 513984900 IMIDISPHWUINRA-UHFFFAOYSA-N 416.507 1.637 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@H](C#N)c3ccc(OC(F)(F)F)cc3)cnc21 531353630 WLHAZSSGGHFPBL-CYBMUJFWSA-N 406.324 1.410 30 10 HDEE CCc1c(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 533151739 BAPPBZHLRDHZRF-GFCCVEGCSA-N 402.414 1.561 30 10 HDEE CC(C)[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 538969257 HXFDMNXOFUHASP-ZWKOTPCHSA-N 420.535 1.778 30 10 HDEE COCCN1CCCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CC1=O 552190016 TXNYFCIFSIAFOZ-UHFFFAOYSA-N 402.470 1.621 30 10 HDEE C[C@@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1(S(C)(=O)=O)CC1 561926276 ZIKYQAIPOZFEQR-CJNGLKHVSA-N 404.492 1.319 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccsc2Cl)c(=O)n1C[C@@H]1CCCO1 562311352 LIHDVESJYKQFJD-NSHDSACASA-N 409.920 1.053 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1)C(C)C 589188346 NPQSQHSCUSFROX-WOJBJXKFSA-N 406.571 1.965 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)cc2)c(=O)n1-c1ccccc1C#N 604002346 OTBKJOMMVZOSQE-UHFFFAOYSA-N 416.462 1.028 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 619105202 FKTLTTGEEXHNSG-INIZCTEOSA-N 413.503 1.277 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1cccc(Cl)c1 731861533 DZZMINGGSHXIJE-FBMGVBCBSA-N 400.826 1.485 30 10 HDEE Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732705975 KALQZXUFYHXMST-GOSISDBHSA-N 411.506 1.518 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734293348 RJNPVUBICFAPMX-LJQANCHMSA-N 424.482 1.900 30 10 HDEE COc1ccc(F)cc1CN1CCN(c2ccc(S(N)(=O)=O)cc2C#N)CC1 742174725 DCYCTULLLUCQOJ-UHFFFAOYSA-N 404.467 1.676 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 760848547 DSVLMXZJYOZFST-YFHOEESVSA-N 411.487 1.687 30 10 HDEE NC(=NOCC(=O)NC1CCN(C2CC2)CC1)c1cccnc1N1CCCCC1 762712010 IMBJNQDNPBBQFU-UHFFFAOYSA-N 400.527 1.452 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763437185 SSZZJCWAGZHEJY-UHFFFAOYSA-N 406.511 1.324 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(OCCCC)cc1)[C@@H]1CCS(=O)(=O)C1 772700047 HIPGMXPGWDTKGD-QGZVFWFLSA-N 406.504 1.244 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)NCc1cn(-c2ccc(OC)cc2)nn1 773417269 JIUOCKKGIIUMJL-UHFFFAOYSA-N 405.414 1.543 30 10 HDEE CCN(C[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)CC(F)(F)F 776137339 FQGNRKUZFXDUMD-JFVSRZABSA-N 417.432 1.429 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 790017125 YZDLIMBROPKQGQ-UEBQCBJVSA-N 403.552 1.400 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2cncn2Cc2ccccc2)c1 795327822 JRRYKOFQQOAWAS-UHFFFAOYSA-N 410.455 1.825 30 10 HDEE C#CCN(c1nnc(CCCc2cccs2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812088290 TZHNQAUFQDJKTG-INIZCTEOSA-N 422.576 1.788 30 10 HDEE C=CCNC(=O)CNC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812898162 XTLCJSLCJVQHIX-UHFFFAOYSA-N 423.558 1.452 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCn3cnc(Br)n3)cc2C1=O 813206161 FVMFCYQCCHLPIF-UHFFFAOYSA-N 405.208 1.680 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccn2)c1=O 838160294 IEOWJARUGLTFJQ-UHFFFAOYSA-N 421.478 1.346 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-n3cncn3)cc2)cc1 917021482 XFDLTDVLTGNNDS-GOSISDBHSA-N 402.414 1.930 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1133810200 DRESBYCBKWIFPR-CQSZACIVSA-N 416.544 1.504 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)C2)c(F)c1 1135185466 FMKCBSGNGHFGOH-MRXNPFEDSA-N 421.494 1.330 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 1136630555 TYKFBYARZBTFKF-YVEFUNNKSA-N 407.879 1.994 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)C2(C#N)CCSCC2)C1 1142596522 DVCREBUSYUAWLV-HNNXBMFYSA-N 424.567 1.903 30 10 HDEE C[C@@H](CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nn[nH]n1 1153676088 KQCOOXBOQKTURM-TXCIGDHXSA-N 403.487 1.548 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2Cc3ccccc3N(C)C2)s1 1169437077 KUJKSZCPGCJMAD-HNNXBMFYSA-N 405.545 1.932 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2-c2nn[nH]n2)s1 1169581113 FBRINDOZVPNBDN-UHFFFAOYSA-N 404.477 1.574 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)c1 1187955890 RFEVQCICOJOBES-JOCHJYFZSA-N 420.425 1.792 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(CC(=O)NCCOC)CC3)cc21 1209768287 UFOICHOTOMPMFL-UHFFFAOYSA-N 400.483 1.134 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccc(S(=O)(=O)C(F)(F)F)c1 1214095518 BSHJSHMMKDQNRI-NSHDSACASA-N 413.443 1.796 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1227631508 GUISCZBFTYCHIX-ROUUACIJSA-N 412.494 1.104 30 10 HDEE C#CCN(C(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 1231362536 QJUBFUJRJTUDPL-JKSUJKDBSA-N 415.556 1.758 30 10 HDEE C=CCO[C@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1251437317 LSMLDRPQPUGTRA-ZBFHGGJFSA-N 408.499 1.193 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCC1(N2CCOCC2)CCOCC1 1275245464 NXRHIALRBJXUIZ-UHFFFAOYSA-N 422.323 1.861 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1279023237 SNRIPRVCQBBGAT-NRFANRHFSA-N 401.463 1.894 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286384624 JCRQUGVYWXPNCE-JXXFODFXSA-N 408.568 1.753 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1F 1286409261 JIMKOMPRAIZVEK-KRWDZBQOSA-N 400.479 1.749 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1286451117 RQZXKXHWPCWXRC-UHFFFAOYSA-N 411.915 1.519 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(CC)c1 1286508146 JPMSQIFLRNVHCH-UHFFFAOYSA-N 401.540 1.620 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CN2CCOCC2)CC1 1286785560 GOLGGTDAGWUSMF-UHFFFAOYSA-N 416.570 1.787 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCCO1 1286791436 ZKTPLFFTALTMAQ-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)C[C@@H](C)O1 1291584336 BTIAACZCUJHMAD-CHWSQXEVSA-N 415.425 1.602 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)O1 1292300637 POZQHBKBFGTQTM-URLQWDBASA-N 424.571 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCCc2c1cnn2CCO 1295983669 XCTNUJRHSGFABF-HZPDHXFCSA-N 405.499 1.956 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](O)c2cc(Cl)ccc2OC)c1 1297844464 SWIUWRPXVSLMPP-KRWDZBQOSA-N 422.890 1.724 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1300308241 NUXHAAOZDPAKSU-DOTOQJQBSA-N 405.568 1.513 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCOCC1 1300315574 ZWFFANANEXMHCB-QGZVFWFLSA-N 408.506 1.906 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2ncn(C)n2)c1 1300334564 QBFWWZCQOWXREW-UHFFFAOYSA-N 406.494 1.710 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1300877781 ZSUOGXBJLIUSHH-JZXOWHBKSA-N 423.477 1.635 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1300915609 OWJPFDRLOMTRNA-FOIQADDNSA-N 421.567 1.594 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1300992079 TUZGSUNTPACWMY-CABCVRRESA-N 417.470 1.091 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1301390193 FQPVXXYZVHVLER-QGZVFWFLSA-N 415.519 1.506 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1301610426 YMAGSJNPJGCFBZ-INIZCTEOSA-N 406.556 1.501 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N(C)C 1301808844 HEQXTBWLLCSRIG-UHFFFAOYSA-N 406.437 1.602 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1301968783 PRRHHTSLFWBLPC-DAESXHAQSA-N 410.478 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)c1ncc[nH]1 1304129499 KZFWXXNHSFYGMM-DLBZAZTESA-N 411.462 1.965 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCN(c4cccc(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1304269984 AYPFWHAAKKBSPW-XLWVJDPXSA-N 407.879 1.090 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1305114019 BORJDVYJLIDJJL-QFBILLFUSA-N 424.505 1.679 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc3c(c2)C(=O)CCO3)n1 1309465223 WSDLOKSODDXURC-UHFFFAOYSA-N 403.460 1.319 30 10 HDEE C#C[C@H](NC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)C(C)(C)C 1312830423 WFBQYRKHBRFDFO-KRWDZBQOSA-N 407.492 1.178 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1322289720 IYFDSSZCJGKZAO-QFIPXVFZSA-N 422.489 1.717 30 10 HDEE COC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1328769968 FSNVKCIRVRWYPE-QRVBRYPASA-N 402.470 1.466 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1342211220 UWQSACSFCFSLLO-WBVHZDCISA-N 409.464 1.551 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nn1 1357254683 NCUYBCUGFYTIKG-LJQANCHMSA-N 409.538 1.924 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358961053 QUGXBGYKJVNTHO-SJORKVTESA-N 403.508 1.392 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)OC(C)(C)C 1359063014 AZEGGTFJJFMTSO-HXUWFJFHSA-N 404.515 1.933 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCN(C)C1 1359269177 RDBORMGTMHDKCA-JOCHJYFZSA-N 411.506 1.961 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359301178 ULVWWQSNSMBRCJ-UONOGXRCSA-N 416.448 1.157 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCO[C@@H]2C)C1 1359327298 YCMOOPAXTVKKIW-ATOXUGOLSA-N 422.526 1.323 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CC)C1 1359334109 SQZQVPDQPYFQIJ-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1359394525 XVPHLGDAKSYFOS-OAHLLOKOSA-N 405.462 1.834 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1359474351 QHIIIKZCCOQLCX-FUHWJXTLSA-N 417.535 1.993 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1Cc1ccc(C#N)o1 1360657715 QDVXPJVTKZALQB-LLVKDONJSA-N 421.508 1.494 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@@H]2CCOC[C@H]2OCC)c1 1434892999 AVDMMXDMKVXVNG-PZJWPPBQSA-N 414.502 1.691 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(OCc4cscn4)c3)C[C@H]1CS(=O)(=O)C2 1439793934 FNIWTLGHZLPYKJ-KBXCAEBGSA-N 403.485 1.732 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(OCCOCC)CC2)ccc1F 1441627056 UYHJJVIGMXSXMT-UHFFFAOYSA-N 414.499 1.948 30 10 HDEE COC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1441886497 RUQHDJUGYKIGPS-RDYUPDBUSA-N 406.483 1.684 30 10 HDEE C#CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@@H]1CCOc2ccc(Br)cc21 1444118269 HCIFJDSGPUIOBS-YFHUEUNASA-N 422.275 1.147 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449164099 LDKABBNBFLRYCE-ZWKOTPCHSA-N 403.479 1.392 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1cc(S(=O)(=O)N3CCSCC3)c[nH]1)C2 1452396887 BSXAGMJMTYETRZ-UHFFFAOYSA-N 402.501 1.780 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC)Cc2ccc(Br)cc2)C1=O 1461753474 IGLXFJFYRNSEGR-AWEZNQCLSA-N 422.279 1.863 30 10 HDEE Cn1ncc2c(O)nc(NC(=O)COc3ccc(C#N)c(Br)c3)nc21 1461863489 GOODGGDKIGABRW-UHFFFAOYSA-N 403.196 1.721 30 10 HDEE NC(=O)[C@@H]1CC(C(=O)N2CCC3(CC2)CC(=O)C=CO3)=NN1c1ccc(F)cc1 1463086722 KIAPHSNAGGOQSG-KRWDZBQOSA-N 400.410 1.110 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(N2CCCS2(=O)=O)CC1)C(C)C 1467660093 HFBIUOJIYZQOLX-LJQANCHMSA-N 412.600 1.895 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CCCC=C)NC(=O)OC(C)(C)C)CC1 1467815455 YTDRRVIIMFVUNF-QGZVFWFLSA-N 406.527 1.130 30 10 HDEE N#C[C@]12CN(C(=O)NCCOc3ccc(Cl)c(F)c3)C[C@H]1CS(=O)(=O)C2 1470165706 VSYRPOPZLOYRKH-MEDUHNTESA-N 401.847 1.438 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCN(CCC#N)CC3)=NO2)C1 1471237228 LKTQZYSJMYIZJI-HXUWFJFHSA-N 405.499 1.590 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CCOCCCO)C2 1492762828 HJUATVYUJGMNNT-UHFFFAOYSA-N 408.466 1.136 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1502282923 HKWFOFFQSGKFSE-LPHOPBHVSA-N 407.522 1.968 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1504853531 DNWFZJCJCJGDSG-UHFFFAOYSA-N 423.521 1.206 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507567529 PTUJBRJMGORVRQ-UHFFFAOYSA-N 421.549 1.468 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507666337 FUTGQJIYUQIQSA-QGZVFWFLSA-N 414.535 1.028 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccsc1 1507678678 BLIOHPPUKFCJPU-GUYCJALGSA-N 411.553 1.317 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507935095 KRRXTEUNYWIKRM-GJZGRUSLSA-N 401.471 1.855 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1507991423 PNRLODQHKDQORK-FBMGVBCBSA-N 413.482 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1508137227 KUBFCQPOJADXPZ-AEFFLSMTSA-N 419.551 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCS[C@@H](C)C1 1508142194 RFLUSQUAPSPFFB-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1510322455 BCFLXYGNMBAZBL-PMUMKWKESA-N 411.503 1.437 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1517127592 HXSNVILDGJOQIG-UHFFFAOYSA-N 420.481 1.099 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(O)cc1 1519329467 WAYMVZZGOFWYPV-QAPCUYQASA-N 401.467 1.679 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CCO1 1521128354 BWOAMPBRYIWVHW-CQSZACIVSA-N 408.915 1.838 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C[C@H]1C 1525820082 ZEQJPLOIPYJWBE-JDNVSCOESA-N 423.491 1.405 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1530725075 PAEJINANVBZMLI-HUUCEWRRSA-N 404.463 1.610 30 10 HDEE C[C@H](C#N)N(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CC1 1531697586 HQDFFEDQFYCXPH-KGLIPLIRSA-N 406.464 1.899 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)cc1 1533414118 SLUNPUMXNVFFLD-QHCPKHFHSA-N 421.453 1.791 30 10 HDEE CC[C@H](C#N)N(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1537622639 BUFRXWQYGOUGGA-CYBMUJFWSA-N 418.475 1.335 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3nc4ncc(Br)cn4n3)CCO2)cc1 1538556318 RFRIXOOGZNORTJ-CQSZACIVSA-N 413.235 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1538973732 PSXWDEHLPJOPLO-GJZGRUSLSA-N 404.540 1.719 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1539002224 BFDDRGQBQFKFOD-DNVCBOLYSA-N 419.533 1.990 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539079007 MWDCQYHNJWAFKD-SFHVURJKSA-N 418.567 1.957 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1ccn(C)n1 1539415208 BGCMRFQWHLTAKP-FQEVSTJZSA-N 422.489 1.853 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCC[C@H]2OC)CC1 1539428984 YWERVSKRZUOYIN-ZWKOTPCHSA-N 400.527 1.084 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@](C)(O)CC)CC1 1539445947 LPMACBALMOXRFX-QFIPXVFZSA-N 421.505 1.510 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539801481 AZOPZDGYZWNUIS-UONOGXRCSA-N 403.936 1.742 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOC2=O)CC1 1539897698 IZRCAUWUEZIABN-UHFFFAOYSA-N 402.499 1.645 30 10 HDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 1539918831 RWTVQGWOLZEENA-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1540873247 SAGFZLGVVRSSHP-FUHWJXTLSA-N 423.521 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)C)C1 1540892134 GDECMYWZXLTNDZ-HZPDHXFCSA-N 413.544 1.048 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](C2CCOCC2)C1 1540908439 VXUAILBVADHGTQ-ZWKOTPCHSA-N 424.567 1.983 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1541118627 DUJZXDXICBLFBT-CQSZACIVSA-N 417.539 1.734 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)NC(C)(C)C)c1 1542568904 UVYBJTZXSXZTGB-MRXNPFEDSA-N 408.545 1.913 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)Cc2ccc(Br)cc2C#N)CC1 1542907713 GKSGGHBNUONTMY-UHFFFAOYSA-N 407.312 1.532 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)COc2cccc(C#N)c2)ccc1OC 1543589147 BJHLNXGRBWIYSH-UHFFFAOYSA-N 419.459 1.509 30 10 HDEE Cc1noc(C)c1CN1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1543963817 XHIXZLWIGCYYSI-UHFFFAOYSA-N 420.466 1.686 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCN(C(=O)OC)C2)s1 1546242191 RLAHRTZHFHRMGT-GFCCVEGCSA-N 401.510 1.102 30 10 HDEE CC[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1546679155 GOIURQMPDWCOTO-SFHVURJKSA-N 424.505 1.966 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1552681282 KJYBVHLFOBFMLK-IAGOWNOFSA-N 424.461 1.799 30 10 HDEE CO[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1554599498 YOURTUVYFZMZRD-MRXNPFEDSA-N 404.478 1.968 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3cccc(C(F)(F)F)c3nc2O)CC1 1556503882 AOSVOJCFHRTPQA-UHFFFAOYSA-N 420.391 1.466 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCNC3=S)C2)C1 1558890402 PKVDPCXBCRKRDJ-BIWSTMPVSA-N 407.540 1.080 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1561641335 KFDVTEWMHGFMFI-JTQLQIEISA-N 420.256 1.788 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)NCCn3cnc(C#N)n3)C2)O1 1564723715 FQPBHZAPKQHYBX-LAUBAEHRSA-N 409.494 1.225 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 1568812892 HXLQKBJSJAXFJF-JKSUJKDBSA-N 404.511 1.464 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)N1CC[C@@](O)(CC#N)C1)N2C(=O)OC(C)(C)C 1570695099 MYIQGDISZYBVNC-MOMPZSSISA-N 407.467 1.051 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OC 1587305249 GMOKBRZNKXOGFI-CYBMUJFWSA-N 424.397 1.488 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3C(=O)N(C)C(=O)[C@H]3C2)cc1C 1587460793 ZJCFANWXPZLUJO-CALCHBBNSA-N 405.458 1.767 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCSCCCO)[C@@H]1CCS(=O)(=O)C1 1588030486 WIPKKKYFSWCIQQ-OAHLLOKOSA-N 400.570 1.144 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1588049586 ITQRAPYSYGIOLF-KRWDZBQOSA-N 402.524 1.447 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)Cc1ccc(Br)cc1C#N)CC2 1588139400 FHPFBDSSWZNFNW-AWEZNQCLSA-N 404.268 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCCC1 1588180763 KFFDQBUVNMNLEG-QZTJIDSGSA-N 420.583 1.226 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccn(C)n1 1588595080 MTFULIYXGKMVNZ-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC)C1 1589070660 VVDWPUMHQUICMN-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C 1589546358 PUIOUJQEQQLANV-NCOADZHNSA-N 410.540 1.387 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1593747266 SZVNBJMZEQJIRP-KRWDZBQOSA-N 403.527 1.966 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1595178415 KGCDFNOKSXAPEC-AWEZNQCLSA-N 419.507 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCCCO1 1595517032 NFMJIKVDMBNNTK-INIZCTEOSA-N 413.478 1.981 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602858 SRHKLBXSEROGSW-LAUBAEHRSA-N 403.527 1.857 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1595905684 NZINLNWDLVLCBH-JYJNAYRXSA-N 409.556 1.623 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1596842451 XCFTXAIYQUWBCC-JSGCOSHPSA-N 401.496 1.514 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1607581904 KYWRKBCTLPSLEV-QYZOEREBSA-N 418.542 1.258 30 10 HDEE N#Cc1cc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)ncc1Br 1612177894 VIFXUIUSGPQEFY-CYBMUJFWSA-N 415.313 1.347 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)C1=O 1618456157 LISYOCZUCMIQOK-JOCHJYFZSA-N 423.521 1.646 30 10 HDEE CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1)C1CC1 1618918975 AJABHHCEJUEFJB-ZOCIIQOWSA-N 424.571 1.833 30 10 HDEE CC(C)(CCS(C)(=O)=O)NS(=O)(=O)c1cc(Br)ccc1C#N 1621859569 HSCJPRFOSHVFQR-UHFFFAOYSA-N 409.327 1.812 30 10 HDEE CCOC(=O)c1sc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)nc1C 1627833103 QOQXKPZKMULROD-UHFFFAOYSA-N 422.488 1.991 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CN(C(=O)OC(C)(C)C)C1 1628741840 PALKQJCJBKMFPF-RNODOKPDSA-N 406.483 1.294 30 10 HDEE C#C[C@H](NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 1630460145 IVFWWEVKYFGBCJ-FQEVSTJZSA-N 419.547 1.815 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)C#Cc2ccc3c(c2)OCO3)CC1 1634390568 LGDPQVLJNMLZHA-UHFFFAOYSA-N 415.490 1.872 30 10 HDEE Cn1ccnc1N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1635628088 ISQNSMXJAJAHDM-UHFFFAOYSA-N 401.511 1.719 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1638082894 BESJDXRDVRRZQE-YHHIVYBXSA-N 400.523 1.987 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C1 1638968607 RYNUGPPDELMTAI-QGZVFWFLSA-N 408.252 1.442 30 10 HDEE CCOC(=O)c1csc(N2CCN(C(=O)C#Cc3ccc4c(c3)OCO4)CC2)n1 1640733166 SNGMNSGZSAPFAU-UHFFFAOYSA-N 413.455 1.749 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1640896888 TYBZJHXYTNNXBJ-CABCVRRESA-N 415.309 1.963 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nccn1C 1641566562 DXBVADRRLVBWSC-AWEZNQCLSA-N 403.508 1.896 30 10 HDEE C#CC1(O)CCN(C(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)CC1 1641976480 LCCVNUMMWDDJNX-UHFFFAOYSA-N 402.495 1.596 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCN[C@@H](Cc2ccccc2)C1 1642327116 HYKLHGPSSVOUFZ-KRWDZBQOSA-N 412.515 1.158 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CCCN(CC2CC2)C1 1642364454 XBDBIYSWLAEXTF-KRWDZBQOSA-N 418.563 1.744 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC4(CSC4)C3)CC2)cc1 1643230780 CIHWRKUNGCOYLR-UHFFFAOYSA-N 405.545 1.971 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)c2c(F)cccc2F)cc1 1643269160 WBRDSHHJUNRQRH-UHFFFAOYSA-N 407.398 1.769 30 10 HDEE CCCCCC(=O)Nc1ccc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1 1644087907 XKZGQUZAVTZIBR-UHFFFAOYSA-N 412.446 1.276 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)COc1cccc(Br)c1C#N 1644145481 IYTMNURKKWMVHK-GFCCVEGCSA-N 413.224 1.120 30 10 HDEE Cn1nncc1C1(O)CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 1644368282 VXBPHCRAWUNEQA-UHFFFAOYSA-N 414.897 1.677 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1644829269 SBOIODJLAXDKFT-QEJZJMRPSA-N 407.492 1.462 30 10 HDEE Cn1nc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C1CC1 1647737580 WANMSCDAFOXYLE-UHFFFAOYSA-N 401.492 1.433 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCC(c2ccc(S(N)(=O)=O)cc2)CC1 1648460076 IGPJFSFWBDUEIQ-YWZLYKJASA-N 406.552 1.956 30 10 HDEE COC(=O)c1ccc(NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c(C#N)n1 1650909265 SPBNMAYMCDIJPH-DLBZAZTESA-N 405.458 1.751 30 10 HDEE C[S@](=O)[C@@H]1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1651250321 BWSJRLHEBIUBNR-HCXYCLFGSA-N 423.560 1.375 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc3c(=O)[nH]c4ccccc4n23)c1 1652466996 IYLFBMVTJQDYBZ-UHFFFAOYSA-N 418.438 1.993 30 10 HDEE C#CC[C@@]1(C(=O)NCCn2cnc3c(N)ncnc32)CCCN1C(=O)OC(C)(C)C 1654655531 DCWSQSXCIAUZFJ-FQEVSTJZSA-N 413.482 1.318 30 10 HDEE C#CCN1CCN(S(=O)(=O)C[C@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1655018636 RNIRDVCVDVYBPJ-FQEVSTJZSA-N 419.547 1.616 30 10 HDEE CCOC(=O)C1([C@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CCOCC1 1660421111 BCVKMWOHMFGFLJ-ZWKOTPCHSA-N 408.543 1.017 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)CC1 1665123893 OFPXZIXCKRLNPX-UHFFFAOYSA-N 404.485 1.125 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCCC)cc2C)CC1 1673727830 NMPLJLKKRLAJRZ-UHFFFAOYSA-N 408.524 1.791 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1)C1CCOCC1 1674589391 AEPALZUKFKBMGM-IBGZPJMESA-N 405.520 1.521 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccs1)N1CCN(C)CC1)C1CCN(C)CC1 1675213315 ZIKMCNZJYPWYOA-LJQANCHMSA-N 403.596 1.776 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1682984759 WCPRCLVHZLRLSF-HUUCEWRRSA-N 414.325 1.847 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC2(C3(O)CCOCC3)CC2)CC1 1684257828 OCKAUWIVVQODGK-UHFFFAOYSA-N 402.470 1.851 30 10 HDEE C#C[C@H](NC(=O)NCCN1CCC2(C1)OCCO2)c1ccc(Br)cc1 1685413158 RCWZHTNEAUIQHN-INIZCTEOSA-N 408.296 1.871 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOC1CCCCCC1 1690001022 DTZUUAFYCHVXSK-QGZVFWFLSA-N 421.567 1.701 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N(C)CC)CC1 1690133301 BARUDJJQTSLVQV-UHFFFAOYSA-N 414.485 1.230 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690170753 PLBCGAOGQBAPLN-UHFFFAOYSA-N 402.568 1.266 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CC1)N(C)C 1690190013 JATARUZFLAPHLR-IDHHARJASA-N 408.572 1.221 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1690261189 AQEHPZWCEZPGDP-MRXNPFEDSA-N 407.544 1.505 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690273343 RDNVGDBEVQENSX-IBGZPJMESA-N 409.556 1.788 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690326918 HROHWYSVCRNNLK-GOSISDBHSA-N 401.858 1.537 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCn1cncn1 1690531619 UGOKMLANNQTYMW-UHFFFAOYSA-N 421.553 1.557 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C)C1CC1 1690545375 PKSIZRXSKHWDEF-RMKBEBRYSA-N 414.597 1.882 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn2ccccc12 1690609667 WNUDLYIPIVBZCT-UHFFFAOYSA-N 409.494 1.849 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690674984 MJBFDFRVTPTUDY-HXUWFJFHSA-N 419.533 1.542 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C(C)C)C1 1690724283 LLTYYZWPSSWEKI-DLBZAZTESA-N 412.556 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)CC1CCOCC1 1690725564 USFDPALZGNAVNY-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)CN2CCOCC2)n1 1693199930 GEWKQCQJBQLLLD-SJLPKXTDSA-N 411.510 1.346 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1696981352 VWCSJCCCRDRVOM-ZWKOTPCHSA-N 412.494 1.319 30 10 HDEE CNC(=O)CCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1697010815 YMCCULIIHTVYHS-VQTJNVASSA-N 404.515 1.585 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1698443505 OLJQEHRFKRMLKA-ZTFGCOKTSA-N 415.519 1.865 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCOC2)cc1 1698489274 RGVJPZUHHOLGSK-HKUYNNGSSA-N 408.462 1.884 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705479443 LURQZFXZBUJAAU-DYVFJYSZSA-N 417.432 1.455 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1705504100 MSQBNWNEYWELJP-ULQDDVLXSA-N 424.567 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[S@@](=O)C(C)(C)C 1705620653 AMOHAPIYUWBUIF-MUUNZHRXSA-N 409.556 1.147 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1705637852 OJOQYEDFOGDAQJ-QUCCMNQESA-N 409.538 1.942 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1705664792 BHEGRLIWZAMZTH-QLFBSQMISA-N 400.570 1.754 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)NC(C)C 1705672427 XPVGUNHZQNGOHY-HXUWFJFHSA-N 416.551 1.968 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCNS(C)(=O)=O)CC1 1705773366 OBFPCJZLXSKEEE-HOTGVXAUSA-N 413.544 1.098 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)C1CCCCC1 1705903209 RFHLWKLCHMXSKE-DOTOQJQBSA-N 423.583 1.887 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(N)=O)c2)C1 1705922540 OGLPFRNPQSOVDS-IAGOWNOFSA-N 410.478 1.158 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2nnc3n2CCCCC3)C1 1705928732 TZLPBPIISWJQHB-INIZCTEOSA-N 401.515 1.962 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)OC(C)(C)C 1706603183 LKNHYOQVTJKLHT-LJQANCHMSA-N 423.493 1.773 30 10 HDEE Cc1nnc(N(C)C[C@@H]2COc3ccccc3O2)n1CCN/C(O)=C1\N=CC=CC1=O 1707864248 XKSHXKVRVJRLOF-FZFLATATSA-N 424.461 1.389 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1710202096 UHKROYSYTSCHOD-HOTGVXAUSA-N 411.510 1.946 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NC)c1 1722306156 OQDFXWYZPBHWJP-SNRMKQJTSA-N 411.506 1.868 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC[C@H]1COCCO1 1722387385 KSEVTSJNZBRXAL-KRWDZBQOSA-N 408.462 1.194 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1Cc2ccccc2O1 1722387904 QZZYTKTWJNTWGN-IBGZPJMESA-N 403.486 1.981 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1722456278 WDMBOXWJLBSRPC-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1722549130 CZLJZJLXSRPUFY-UHFFFAOYSA-N 407.906 1.410 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1722815831 QYMRUVPWXBGLJK-XMSQKQJNSA-N 421.505 1.400 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1722858569 RAGOFTSHALNYRD-OAQYLSRUSA-N 410.478 1.339 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1722878703 FALRUMWXQOUAIH-QGZVFWFLSA-N 423.521 1.681 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)C1 1724004407 GWSGSEBGCOUPPL-QFIPXVFZSA-N 421.505 1.791 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCSCCCO 1727602918 IMNSUBXTUBCUNJ-UHFFFAOYSA-N 418.571 1.196 30 10 HDEE CCOCc1nnc(N(C)[C@H]2CCSC2)n1CCN/C(O)=C1\N=CC=CC1=O 1728975083 BEIDELDZGQOFMN-CMTMBAJVSA-N 406.512 1.283 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@H](CO)O1 1729409114 AJICQNQICPSXAP-RBUKOAKNSA-N 424.505 1.448 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)C 1730853544 USQWSTUKRMHGFV-OXQOHEQNSA-N 406.531 1.904 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1740568097 YYBCLJVDJIZGPB-QGZVFWFLSA-N 409.494 1.250 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCN(C)C(C)C)CC1 1740692524 KKWORSBBCOGAPA-UHFFFAOYSA-N 410.522 1.769 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC[C@@H](C)C2)CC1 1740696263 POHYXDYXQPXYBP-WOJBJXKFSA-N 400.571 1.659 30 10 HDEE C=C(Cl)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740814285 QHUVGTMLNVTRGW-OAHLLOKOSA-N 415.885 1.489 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cncn1)C1CC1 1740907945 DSLFMLGTCOAJOO-UHFFFAOYSA-N 413.507 1.795 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1740938541 IPXBIJASYZYTHX-OAQYLSRUSA-N 401.511 1.659 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1740945801 VZMQPZWGYXAFAB-LJQANCHMSA-N 415.885 1.994 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740963818 XYKNCTKNKOAYFJ-VQIMIIECSA-N 424.505 1.892 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1744755851 GFNUXTPJTHIXQW-QGZVFWFLSA-N 414.535 1.647 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1748719158 VPVGOVYSFMVMII-GOSISDBHSA-N 421.567 1.961 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1COCCO1 1748791108 OWPGQWSDPOTURE-GOSISDBHSA-N 411.510 1.327 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)OC(C)(C)C 1748798059 ASFQSKDIBXQGJX-UHFFFAOYSA-N 418.523 1.864 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)CC1CC1 1748839614 ZINIPKASGLTGRB-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CSCCS2)CC1 1748971219 IEIYUXCISGTCPZ-OAHLLOKOSA-N 408.597 1.020 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1749019939 GMFCOJNBSZUSKE-OAHLLOKOSA-N 417.539 1.858 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(F)F)CC1 1749043861 LIMJJAXVTCXAHK-UHFFFAOYSA-N 423.537 1.893 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1749157988 CAAOSSWBXJUKHQ-KRWDZBQOSA-N 421.523 1.742 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)F 1750027800 OMSMWUYXTFQVBZ-TZMCWYRMSA-N 402.421 1.741 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1750980210 GSNCGIJJFILCAH-AWEZNQCLSA-N 403.874 1.637 30 10 HDEE Cc1nc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)sc1C 1751336333 HCBWXDXJQYAAPY-JQWIXIFHSA-N 411.557 1.748 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC(=O)N1C 1752320993 GYNMXTKSLPLHRX-HNNXBMFYSA-N 414.535 1.599 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](OC)C(F)(F)F 1760224915 CSSSOGYNIZULFA-NEPJUHHUSA-N 411.450 1.315 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1760248177 CSRINJOBEMFYEQ-QGZVFWFLSA-N 416.526 1.154 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760275200 RYHVOXSYNPIDHV-GJZGRUSLSA-N 404.540 1.631 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760440168 CSLZSXNZMGKTRS-MDZRGWNJSA-N 410.540 1.531 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1760503034 WKVWUMMUMSKHRC-MRXNPFEDSA-N 422.555 1.346 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1760523295 SMFGXDGKSQIZBF-QGZVFWFLSA-N 421.505 1.454 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1760688909 PTKJJRBHSDHSSM-LLVKDONJSA-N 418.303 1.819 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC[C@@](C)(C#N)C1 1766715499 PXAZJVLVSGYELD-IBGZPJMESA-N 417.539 1.800 30 10 HDEE CO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770286067 CBFWYKMDLHGHPX-JVMRMLDLSA-N 423.477 1.015 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCOC1=O 1770411931 AFCHNUZUCCXQIZ-OAHLLOKOSA-N 412.450 1.525 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1771529424 NVDNILANUABULU-PXAZEXFGSA-N 424.889 1.870 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1 1852767842 CYQRHQPFRKEFLI-IBGZPJMESA-N 419.485 1.672 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)CC1 1853789119 ADXQWTMWMHONBG-VQIMIIECSA-N 412.465 1.932 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C1 1853950958 ZPHHOKISUXVZMN-UHFFFAOYSA-N 402.407 1.074 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2=O)CC1 1855161468 GRVGEQATKAYYEQ-HZPDHXFCSA-N 402.520 1.840 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(Cl)c(Cl)c2)CCN1S(=O)(=O)CC#N 1855980968 OQHNFJXDLIRAGE-UHFFFAOYSA-N 404.275 1.910 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CCc1ccon1 1856082934 QWWNDKLVZAYGJJ-UHFFFAOYSA-N 403.460 1.920 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H]3CCCC(F)(F)C3)C(=O)O2)CC1 1856596892 KDUXVLPFZSGPJO-ZIAGYGMSSA-N 419.450 1.725 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)C1(C)C 1856720679 XKLQLQCOOJWTST-JKSUJKDBSA-N 422.526 1.764 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1857185100 FGIHWLIGNSQRFO-IEBWSBKVSA-N 414.510 1.462 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857282247 UPLLENBHYNBKRJ-QUCCMNQESA-N 413.518 1.722 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874337488 LYIQDWFEFWXNEO-UMXKZIAQSA-N 402.480 1.545 30 10 HDEE COc1cc(OC)c(OC)cc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CCCO1 1874444737 JOKGYLFSKOMPJK-AHURVMIPSA-N 421.479 1.615 30 10 HDEE C=CCn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(NCCCOC)ncnc21 1875228665 YGXIJIXSRGVXPE-UHFFFAOYSA-N 400.483 1.403 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889434324 XUUDSLCOJXDPGO-UHFFFAOYSA-N 415.534 1.576 30 10 HDEE CN(C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C1CN(c2nccnc2C#N)C1 1890483777 KYQIJEIACFWGHR-OAHLLOKOSA-N 401.515 1.508 30 10 HDEE CC1(C)OB(C2=CCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)CC2)OC1(C)C 1963796186 BSPRAVWIXCSEBR-AWEZNQCLSA-N 401.359 1.697 30 10 HDEE C#CCN(C(=O)C[C@H](CNC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 2180113502 QRTGABOHLYZNIC-CHWSQXEVSA-N 408.467 1.431 30 10 HDEE C[C@@H](C(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2186603139 YEGADUXSWOATEH-MNOVXSKESA-N 402.347 1.395 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1cccc(B2OC(C)(C)C(C)(C)O2)n1)C(=O)O 2243320763 NKADAVROASRKEM-LBPRGKRZSA-N 408.260 1.738 30 10 HDEE C[C@H](CO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243424985 BFPOUZHTHNNLCH-CQSZACIVSA-N 400.288 1.138 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C1CN(C(=O)OC(C)(C)C)C1 2247823615 QKDQCPNTINJVNG-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247912446 GVKLVWLZCIZUQJ-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC1(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CNC1 2267705911 OEGMVSBTIYZKBU-UHFFFAOYSA-N 406.766 1.589 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)N2CC[C@H](C#N)C2)cs1 2271144181 NHDUUVAEZAONJP-LLVKDONJSA-N 401.514 1.348 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282188799 AUYCRLMFFMBNRP-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@H](O)[C@H]4C3)cc2Cl)OC1(C)C 2282306002 HFFOHBJQCDLQDR-JBLDHEPKSA-N 419.761 1.702 30 10 HDEE COCC[C@H](CO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282314828 FZPATLDGSYQQCV-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNCC[C@H]1C 2282315520 PDGUVLXOPURSKP-GFCCVEGCSA-N 400.375 1.728 30 10 HDEE C[C@H]1OCCO[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337900 KGMBNZDJKPSJRE-YPMHNXCESA-N 403.331 1.130 30 10 HDEE CCN(C[C@H]1CCCN1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282421428 NRGZJELCOIDXDY-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NN3CCOCC3)c(Cl)c2)OC1(C)C 2282504325 NGJDFTUKNLVFPI-UHFFFAOYSA-N 402.709 1.165 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O 2282581390 HJHIDGJLILFQOY-KOLCDFICSA-N 402.347 1.302 30 10 HDEE CO[C@H]1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282828229 KPBFZPUVRJZREK-QWRGUYRKSA-N 423.749 1.393 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]2C(C)(C)O)sc1B1OC(C)(C)C(C)(C)O1 2282829341 DAJFDTYPYMDIJI-LBPRGKRZSA-N 401.359 1.890 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCSC[C@H]1CO 2282835852 YZKSJPDCLQTCMX-GFCCVEGCSA-N 419.399 1.454 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282850299 NECXXGYQLQPSGV-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE C[C@H]1CC[C@H](CN)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881757 BTNJSHXONONRPJ-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CCN([C@H]1CCCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282883082 VQQHGTGEUBIDLW-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC(=O)O)C(F)F)OC1(C)C 2284404325 YGZWGWBXCGGNGR-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284405041 FRCRMRROKVVMKL-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(O)CCC(=O)O)c(Cl)c2)OC1(C)C 2284409536 KICDNZPXWKNAPR-UHFFFAOYSA-N 405.665 1.494 30 10 HDEE C#C[C@@]1(C)COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338824284 YRBGHGMVQPYXNV-NRFANRHFSA-N 418.515 1.897 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(N)(C#CC1(S(C)(=O)=O)CC1)C2 2342057532 VNOQQVCNBYVSNY-ZIAGYGMSSA-N 400.566 1.779 30 10 HDEE CN[C@@H](C#CC1(OC)CCOCC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2363811010 GLLUIGUTWLQMFM-REWPJTCUSA-N 416.518 1.937 30 10 HDEE CC(C)(C#C[C@H](NN)c1cc(I)ccc1F)S(C)(=O)=O 2365194470 RCGGVYHILOCWJP-LBPRGKRZSA-N 410.252 1.761 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2C1 2365195479 BRDVSTSISYERLX-SOUVJXGZSA-N 400.541 1.148 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365203820 KWYCRHLXVZCCHS-CVEARBPZSA-N 402.557 1.708 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2365204915 PSYCEEFLDLIHBF-DNVCBOLYSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)C#Cc1ccc(C(F)F)nc1 2365754931 RCBQKCKLJFXMCP-CYBMUJFWSA-N 402.419 1.878 30 10 HDEE COCCn1cc(C#CC2(OCC(=O)O)CN(C(=O)OCc3ccccc3)C2)cn1 2365955297 WSTPHWKVWJATCT-UHFFFAOYSA-N 413.430 1.373 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367787316 KPVVKMXJZYNOCX-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2367823117 HBSNALITBBTWEN-VKJFTORMSA-N 400.541 1.306 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367830433 IWDPETLRRFELNL-LSDHHAIUSA-N 402.557 1.599 30 10 HDEE N[C@H](C#Cc1ccnn1C1CC1)[C@@H](O)c1ncc(I)s1 2367872105 YFVYGVHTHZAOIC-ZYHUDNBSSA-N 400.245 1.692 30 10 HDEE N#CCSCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 47903652 IOJPTMAVLCEYEK-UHFFFAOYSA-N 407.439 1.795 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C(=O)NCCOC)CC[C@@H]3C)cc2C1=O 57320467 AJYCDZPZINFQOZ-GOEBONIOSA-N 413.474 1.472 30 10 HDEE CC[C@@H](/C(N)=N/O)N1CCN(Cc2ccc(I)cc2)CC1 115901394 LNKPAJBLXQRCPA-AWEZNQCLSA-N 402.280 1.934 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 238937560 VRMPOTIEWRXRBB-HAQNSBGRSA-N 420.422 1.854 30 10 HDEE C/C=C1/C[C@H](C)[C@@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 256016159 ZOIAVVNLMDKOIV-WZNNKGJNSA-N 407.463 1.580 30 10 HDEE O=C1N=c2ccccc2=C1NN=CC1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 261192035 ZNYUHXNXWLSFHR-WBCQVARGSA-N 412.493 1.994 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)CCO1 409475699 JLGLLPJZANWSAO-QWHCGFSZSA-N 406.386 1.023 30 10 HDEE C=CCN(C(=O)Cn1c(O)nc2ccccc2c1=O)c1nc(C(=O)OCC)cs1 409824420 VGGODODASMSFAN-UHFFFAOYSA-N 414.443 1.955 30 10 HDEE C=CC[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 410080543 PEGKNHWGTDDUSC-AWEZNQCLSA-N 408.524 1.292 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nc(O)c(C#N)c1C 439942270 KSGMJFYFFBHOMV-JOCBIADPSA-N 415.446 1.160 30 10 HDEE C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(C(=O)OCC)cs1 443866935 GZYQBXZXCXWJCR-GBOPCIDUSA-N 419.459 1.001 30 10 HDEE CS(=O)(=O)CCCS(=O)(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 443927295 JCYKIHAXIQUGGG-UHFFFAOYSA-N 405.929 1.098 30 10 HDEE Cn1cc([C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 446475003 JKEQCVFOSMDTAD-HZPDHXFCSA-N 420.395 1.995 30 10 HDEE COc1cc(CNC(=O)NCc2ccc([C@]3(C)NC(=O)NC3=O)cc2)ccc1C#N 460344599 BXVLUZKUZIGTCI-NRFANRHFSA-N 407.430 1.621 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)cc21 460784496 RZEKSZVJVIVJOV-UHFFFAOYSA-N 408.443 1.849 30 10 HDEE N#CCN1CCC(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 464793350 JYWSEVWRROAJIV-UHFFFAOYSA-N 419.482 1.920 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)c1ccc(F)cc1 468184566 WMPHAXDMUSSJRZ-SUMWQHHRSA-N 416.434 1.207 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 478414077 FIRCODIMQGOELE-AUUYWEPGSA-N 407.492 1.022 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)o1 479251986 UIYDDRFFHXHSFD-UHFFFAOYSA-N 416.503 1.818 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 487493478 BMIAVVAPVVXXHK-PMACEKPBSA-N 417.469 1.764 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(NC(=O)[C@@H]3CCCO3)c2)cc1C#N 489113695 QWUWYNYCNGTZFR-SFHVURJKSA-N 400.460 1.858 30 10 HDEE CC(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 489811886 LIXBBUYQQAVXJJ-HKUYNNGSSA-N 420.535 1.635 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)CC)C1)c1nc(C(=O)OCC)cs1 501950051 FTGVMJDTRPANCT-ZDUSSCGKSA-N 415.537 1.901 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 508807992 FVPLDDCOMZIZLE-UHFFFAOYSA-N 400.527 1.929 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(C)CCN1CCN(c2ccccc2)CC1 508867439 PYQUCUBCSCOMGT-FQEVSTJZSA-N 412.538 1.810 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508913756 QIFHPVVLDMMMRZ-OAQYLSRUSA-N 405.462 1.886 30 10 HDEE CNC(=O)c1cc(S(=O)(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cn1C 536126618 WTMJDJLZNPNHQL-CYBMUJFWSA-N 400.382 1.947 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc(OC)cc3)CCC2)CC1 544328840 RGLKHMDSSPEHCL-UHFFFAOYSA-N 400.523 1.746 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2nc(C(=O)O)cs2)c1 548540559 SEANSQJFZNUEPY-UHFFFAOYSA-N 402.251 1.954 30 10 HDEE COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)c1ccccc1 552888333 GLDLWBBKLRMQGV-RTWAWAEBSA-N 406.486 1.727 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccnc3ccncc23)CC1 562187665 UMGHHWLGQDVOII-UHFFFAOYSA-N 407.455 1.648 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3cccnc3)CC2)cc1 575372192 AKPAEKARVLTDRR-UHFFFAOYSA-N 400.460 1.302 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@H]4C3)n2C[C@H]2CCCO2)cc1 578673062 GPLFCADPJVFRGN-FUHWJXTLSA-N 423.477 1.122 30 10 HDEE CN1NOC(=O)/C1=C\C(=NC(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 585673859 VNGWPGCKBMLGJR-HTTOAYLZSA-N 422.397 1.105 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(C#CCO)c1 703969855 MKFHFQAGVGUGNA-OAHLLOKOSA-N 412.467 1.307 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703971419 FSUXSAZLSMNYHR-UHFFFAOYSA-N 422.503 1.690 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)c2cc(N3CCNC3=O)ccc2F)cc1Cl 739174197 GQNFFXPXVAFHQI-UHFFFAOYSA-N 422.825 1.999 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/Cc2ccc(OC(F)(F)F)cc2)NC1=O 745977470 RLDFMXKOPXQMRG-CYBMUJFWSA-N 418.441 1.741 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)cn2C)NC(=O)N[C@@H]1c1ccccc1 751730779 FMQIBKRBBACSDB-GOSISDBHSA-N 408.414 1.925 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 764033391 MPEVEWFJUBDAOW-KRWDZBQOSA-N 416.459 1.535 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cccnc1-n1ccnc1 764761041 JFKAFSJHZPRIAH-CQSZACIVSA-N 410.459 1.122 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCc2ccccn2)cc1)[C@@H]1CCS(=O)(=O)C1 774176209 BTBLXMLCQXIUGH-LJQANCHMSA-N 413.499 1.993 30 10 HDEE C#CCN(C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774206707 FQCIFHUXKUBEKR-HZPDHXFCSA-N 413.540 1.465 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 779411426 FBQIZLRSVMXSNJ-RLLQIKCJSA-N 403.548 1.729 30 10 HDEE C[C@@]1(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCN1Cc1ccccc1 779570027 LEZCFWWTPSFONF-SQJPUDIVSA-N 411.506 1.867 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 780205012 JMYWGBSXSMPRRU-NRFANRHFSA-N 421.453 1.687 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)cc1 780928187 SMPHJJOVFWQHSW-FQEVSTJZSA-N 408.458 1.292 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 780930487 DCGMLRFWZZMZHF-IEBWSBKVSA-N 417.462 1.700 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)cc1C#N 784907817 OUEYJTIAGJACRW-LBPRGKRZSA-N 401.423 1.144 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@H](O)Cc1cnn(C)c1 786859987 GOYDKTUIVPYHGG-XJKSGUPXSA-N 402.476 1.757 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC23CN(C(=O)OC(C)(C)C)C3)n1 788820479 RGWMJJKCGUTBCZ-QGZVFWFLSA-N 402.495 1.748 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@](C)(O)Cn2ccccc2=O)cc1 790687684 VTBPXINVOHQHPP-VGOFRKELSA-N 411.458 1.786 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796426108 WEMBEMUBSLLTDA-QAPCUYQASA-N 403.483 1.414 30 10 HDEE C[C@H](C(=O)O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)n1cnc(C#N)n1 798742742 SOIMHKBBRAFJPL-ZWNOBZJWSA-N 409.324 1.958 30 10 HDEE CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 799836925 JSELCJQMFMWAIO-UHFFFAOYSA-N 408.480 1.253 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 800788093 VOEPSEFABSUBBN-INIZCTEOSA-N 411.466 1.104 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F 808316280 GTTXOCYUPTYOJU-QWHCGFSZSA-N 410.487 1.899 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(C(F)F)n1 812277849 ZMXMOBBSLRQNJM-UHFFFAOYSA-N 408.393 1.468 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(Cc2cccc(F)c2)CCOCC1 815555686 FSHILHMPAKJWJJ-HNENSFHCSA-N 401.438 1.808 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@](C)=O)CC1 1136900233 TZNQMVBPRATXHM-RXBISOJRSA-N 407.964 1.545 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@](C)(NC(=O)C(F)(F)F)C1 1152468188 UJJCOCNXGJOTFS-YVEFUNNKSA-N 405.417 1.963 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2ccc(OC)cc2)c1 1153285236 YVEQXVLYKNAYED-UHFFFAOYSA-N 404.488 1.794 30 10 HDEE Cc1cccnc1CCCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1157811775 RSEYOXIWIAQLQJ-OAHLLOKOSA-N 400.504 1.956 30 10 HDEE CN(c1ccccc1)c1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cs1 1159489502 DNEHQNRFFSYDMY-UHFFFAOYSA-N 408.443 1.742 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1160058353 AKLIHJWJBFQUSG-IRXDYDNUSA-N 415.494 1.484 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n1C 1164186766 GMZLHRGZMOVTHO-OAHLLOKOSA-N 405.503 1.359 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1165497194 BBLGDGSKYXNAOJ-WBVHZDCISA-N 419.528 1.651 30 10 HDEE CN(C)C(=O)CN1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 1197808410 GUBPIWSRZIYTLN-KRWDZBQOSA-N 406.490 1.320 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 1230811875 GGIWBSKVAKPWAU-AWEZNQCLSA-N 400.435 1.289 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1264645991 ZAPWYDNFFMOTTN-RTAFMGCNSA-N 408.524 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1286303279 BUAJXTGPZLYWRI-NXOAAHMSSA-N 419.526 1.922 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC(C)(C)O)c1 1286310287 SDYYEWILWDRBEF-UHFFFAOYSA-N 405.462 1.562 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCC[C@@H](O)C1 1286440974 OMAWKRMPDRDRIE-QFBILLFUSA-N 406.494 1.931 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(C)=O 1286515956 UNHKERGRMWLOKS-RTWAWAEBSA-N 403.527 1.837 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1286629480 QOKWRZYZUBLRNC-ARFHVFGLSA-N 411.934 1.902 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCNS(C)(=O)=O 1286741165 CSIZPKYLYROXJD-UHFFFAOYSA-N 400.508 1.769 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cn2ccc3ccccc32)n1CCCn1cnnn1 1286971815 ZUBYZIQOLOAXEB-MRXNPFEDSA-N 404.482 1.954 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1287732947 AIWNCGSTVXWJJR-ZWKOTPCHSA-N 417.558 1.513 30 10 HDEE CN(C)C(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Cl)c1 1289437056 TVUDXZDLYHJCRP-APPDUMDISA-N 410.883 1.444 30 10 HDEE CC(C)[C@H](NC=O)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1293136668 IIFBKGZWFQKSCB-SJORKVTESA-N 407.312 1.929 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1300339721 RLIRTPWNNNVPPV-HNNXBMFYSA-N 424.571 1.044 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCOCC1 1300620775 FJOXOMUAYPNWRO-UHFFFAOYSA-N 408.462 1.595 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1300621562 NFUIGRQKDBAIFA-OALUTQOASA-N 416.570 1.826 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)(C)C 1300672378 ZUURAYVLAPYAQZ-CVEARBPZSA-N 412.556 1.327 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N(CC)CC)CC1 1300719463 BUPITTPPBSDQBY-KRWDZBQOSA-N 411.554 1.969 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1301223022 LHRMOQWIHRHJEF-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301506199 HQTVKBJWSMVXBD-IBGZPJMESA-N 410.522 1.962 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NCC)CC1 1301507851 AHYYTTYRHKALED-UHFFFAOYSA-N 417.539 1.084 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1301509651 JXUTUCJAIVTHAX-MRXNPFEDSA-N 412.494 1.135 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CCOC2)C1 1301566976 REVTUCKPMJQWKJ-SIKLNZKXSA-N 414.506 1.832 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301611651 FQQCZIXXRSAMIS-GJZGRUSLSA-N 420.539 1.174 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCC(=O)N3CC(=O)Nc4ccccc43)C2)c1 1301633874 KBVKFJOJUMSDOL-UHFFFAOYSA-N 403.442 1.946 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1301952150 HORMXQSWRWXEKE-LSDHHAIUSA-N 406.512 1.563 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1303004069 MBKRRTXPDBEHQT-KSZLIROESA-N 401.442 1.277 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCn2cc(-c3ccccc3)nn2)c1 1305810440 FTENDFHZFDZUKK-UHFFFAOYSA-N 413.434 1.811 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)c1 1308131892 MOEFZGGUSZQFLB-UHFFFAOYSA-N 419.532 1.449 30 10 HDEE C=CCCn1cc(CNc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1308396749 HKZZJVWIFVKZRA-UHFFFAOYSA-N 407.496 1.496 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1OC)C1CCOCC1 1310010787 UKDGXKMPEGPHRH-INIZCTEOSA-N 407.492 1.686 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)Cc3ccc(F)cc3)C2=O)cc1 1312624985 HGZRXHXINWGBGN-VQTJNVASSA-N 410.449 1.701 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1314986603 BUGIJLCCWFXCCX-DLBZAZTESA-N 407.478 1.058 30 10 HDEE Cc1c(C#N)cccc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1327917195 OMKCHICGYFUQCF-QGZVFWFLSA-N 420.517 1.443 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1336436167 VCRFDSUDSPHFJU-CRAIPNDOSA-N 415.453 1.826 30 10 HDEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)C(=O)c1cnn(CCC#N)c1C 1356182322 HRLPOVXHXASVCX-UHFFFAOYSA-N 400.435 1.938 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]3(C#N)CCCOC3)CC2)cc1 1357677048 AEVLSQKYLFTFFX-LJQANCHMSA-N 405.476 1.042 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@](C)=O)CC1 1358880943 WFXIUWWHRYLLEF-ONSXPEOJSA-N 410.507 1.290 30 10 HDEE C#CCCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1358917179 IVOZGGRQQIZCQN-GOSISDBHSA-N 415.469 1.751 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1358967900 VGXJFWUCJDBHRV-GOSISDBHSA-N 420.510 1.823 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CN(C(=O)OC(C)(C)C)C1 1359008228 JQCLWNJJPILCEJ-OAHLLOKOSA-N 402.499 1.556 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(O)CC)CC1 1359037846 ZGQCPVFAQYGZNG-QHCPKHFHSA-N 411.550 1.988 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1359057467 ZXLBMISCILEOLG-INIZCTEOSA-N 411.597 1.077 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(=O)NCC(F)(F)F 1359073055 BCKQFAHWBRZLQI-QGZVFWFLSA-N 412.416 1.071 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1359214997 QZVCNSDUOCYKKE-KRWDZBQOSA-N 415.542 1.923 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccc(-n4cnnc4)cc3)C2=O)cc1 1435867433 FKFGEXOYQZFJJC-SFHVURJKSA-N 415.413 1.983 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@](C)(C(=O)OC(C)(C)C)c2ccccc2)C1=O 1438057140 LVTOKSFMPSQDAE-OAQYLSRUSA-N 415.446 1.337 30 10 HDEE N#Cc1cc(Cl)c(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(Cl)c1 1441883539 BDHXODFFBWTGQC-UHFFFAOYSA-N 423.256 1.298 30 10 HDEE Cn1cc([C@H]2CN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)CC2(C)C)cn1 1450229982 JWMQOKYZTDRNIJ-GOSISDBHSA-N 415.519 1.878 30 10 HDEE C#CC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CC1 1453842132 SNLHILHVRLXSBG-HZPDHXFCSA-N 406.504 1.085 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(C(F)(F)F)nn2C)c1 1455545009 GSEXRXAFNOJUGR-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)CCCCOc3cccc(C#N)c3)C2)cc1=O 1456425053 BAMDSNHAHPQGNB-MRXNPFEDSA-N 411.462 1.302 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CS[C@]4(C)CCC(=O)N34)c2C#N)C1 1461785401 GZQXGGGHEIRLNL-SCLBCKFNSA-N 404.517 1.917 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3cccc(Cl)c3)on2)CC1 1466353274 IDUDKNPVBBEENU-UHFFFAOYSA-N 423.882 1.612 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H]2CO)cc1 1467906726 ZKGMZBRYKFCQBI-WMZOPIPTSA-N 409.508 1.241 30 10 HDEE Cc1ccc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)cc1S(=O)(=O)NCC#N 1468337311 IZYIFQGTQANVAZ-KXTWHKPSSA-N 424.526 1.657 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 1468577507 CUIXJXYXTYVYPW-QGZVFWFLSA-N 417.487 1.926 30 10 HDEE Cc1ccc(C(=O)N[C@H]2Cc3ccccc3N(C)C2=O)cc1S(=O)(=O)NCC#N 1470020697 PUBPZGGMLHWPRV-INIZCTEOSA-N 412.471 1.114 30 10 HDEE COCCn1cc(CNC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(O)nc1=O 1471468213 YFCOAOPVBHGULY-UHFFFAOYSA-N 421.457 1.805 30 10 HDEE COC(=O)C1(CCCCNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCC1 1472247287 PJDQALSWVWFBCQ-HNNXBMFYSA-N 421.519 1.855 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1477631795 XMYLWGQVTMKETM-HDICACEKSA-N 400.523 1.690 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1478404521 SHHOMFXXMGYHJN-OLZOCXBDSA-N 423.543 1.748 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)nn1 1478855727 VVJNADJYXRBFRQ-UHFFFAOYSA-N 403.508 1.920 30 10 HDEE COC(=O)c1cn([C@@H]2CCN(C(=O)NCc3ccc(SC)c(C#N)c3)C2)nn1 1479315032 YUDSOPZKZDFEJH-CQSZACIVSA-N 400.464 1.815 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1494107233 MGOKFVTYWOWMET-CYBMUJFWSA-N 404.421 1.765 30 10 HDEE CCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1499134917 SHFFZSYAVBVVEO-ISLYRVAYSA-N 401.515 1.287 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1505320427 JNUADRNIJWXYTR-KRWDZBQOSA-N 402.499 1.161 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1507515946 AAMAOWSCZDORTL-UTKZUKDTSA-N 405.543 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)OC 1507522331 VBUIFRQPVVVMEE-GJZGRUSLSA-N 405.524 1.688 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCCO 1507615671 ADZJXHHRLLNKNN-MRXNPFEDSA-N 423.514 1.055 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1507661740 GRSBVKLSLQOUBU-UHFFFAOYSA-N 414.271 1.070 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1507679165 HLXBCATUVHSOTF-HNNXBMFYSA-N 419.551 1.624 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCO[C@H](C)C1 1507701845 BVTLJHRKKDKLJJ-QZTJIDSGSA-N 403.527 1.805 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C2CC2)N(C)C)CC1 1507736390 KLCFYNLKWQCHPF-FQEVSTJZSA-N 421.549 1.646 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507858780 QYKYTXVOXXGSEL-CQSZACIVSA-N 421.288 1.498 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OCC)CC1 1507882034 QLTJCRPGEQTQCV-HNNXBMFYSA-N 420.539 1.887 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCc1ccccc1 1508071247 IAZOBNMOXKMJRB-UHFFFAOYSA-N 410.522 1.885 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCOCC2)C1 1508121761 GJAXJHDIQYLJIO-IRXDYDNUSA-N 418.542 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)[C@@H](F)C2)nnc1[C@]1(OCC)CCOC1 1508150110 ZSHOTXXTKBHAAO-VKJFTORMSA-N 416.519 1.325 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508421426 FKDIDFLPOBQXTN-GJZGRUSLSA-N 405.528 1.161 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1512484990 BWFJKFUMBYXJGV-SKRHAUIRSA-N 421.505 1.883 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3cnccn3)n2Cc2ccc(C#N)o2)CCOC1 1516140083 BOJKDRMJQHASDF-FQEVSTJZSA-N 409.450 1.870 30 10 HDEE COCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1519036488 ZCJCDVQASWMCDD-AWEZNQCLSA-N 409.450 1.749 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N[C@@](C)(C#N)CN(C)C)CC2=O)cc1OC 1525356313 BGOWRDXCLRFSIZ-KKSFZXQISA-N 402.495 1.055 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539087235 SQOISXOMCWAZHP-QGZVFWFLSA-N 409.556 1.622 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1539155911 YRFPCOGBCKWLOO-OAQYLSRUSA-N 412.494 1.927 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1539203535 RRPUQECPHBWXAD-VQIMIIECSA-N 422.576 1.997 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539221479 OOPRDWXMUXWMOP-ROUUACIJSA-N 420.535 1.146 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1539446409 YCNGVEPUSCZSAP-BGYRXZFFSA-N 422.581 1.858 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539779791 GJPBPEHUPNULEE-CQSZACIVSA-N 421.288 1.498 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)CC1 1539877685 BTGJCZNLOPUOJM-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540858297 PZMYYAZPBNHSBO-MRXNPFEDSA-N 420.539 1.293 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@@H](COC)C1 1540867482 XOHNXPCMYKVNCA-QGZVFWFLSA-N 422.489 1.647 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1543396589 DHJZLNRRFCGSKM-MRXNPFEDSA-N 422.356 1.448 30 10 HDEE CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1544356114 SVFXCFMMGQMRSO-IAGOWNOFSA-N 410.467 1.515 30 10 HDEE C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1544488728 LSGDZYZHXBBLNX-NWDGAFQWSA-N 405.296 1.869 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1552679681 BUPVPPZQDUSRSJ-JOCHJYFZSA-N 421.505 1.402 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1(C)C 1555175294 UXECVZKCNSPYSL-FWWJWKNHSA-N 400.483 1.543 30 10 HDEE COCCOCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1555714764 IAWJIYIISWERPT-OXJNMPFZSA-N 404.515 1.802 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)C1=O 1556383042 DODIWKWPAVZPQM-YOEHRIQHSA-N 417.510 1.881 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCc4c(nc(C)n4CCO)C3)cc2C1=O 1556539410 WUVZMGSWAQLIOJ-HNNXBMFYSA-N 408.458 1.253 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[C@H]1COCC12OCCO2 1556979680 HVXKQMXRJRDYNH-JKSUJKDBSA-N 410.511 1.825 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)C1 1561913893 JYDHYIOOLPGSLJ-GFCCVEGCSA-N 402.270 1.733 30 10 HDEE C#CCN(C(=O)N=c1nn[nH]n1CC)[C@@H]1CCOc2ccc(Br)cc21 1562801544 WXFORERAJOJENJ-CYBMUJFWSA-N 405.256 1.868 30 10 HDEE C=CCN(CCc1ccco1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1566934489 TWRVFLJOQUCTGA-QGZVFWFLSA-N 412.895 1.830 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1568808984 BFVKBHXTRPKICH-CXAGYDPISA-N 410.517 1.657 30 10 HDEE C=CCC[C@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OCC 1569187095 PAUHGBVQTNFNPF-LBPRGKRZSA-N 403.435 1.578 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)nc(Br)c1 1583254778 JHUFYBRWSLDWEZ-UHFFFAOYSA-N 412.103 1.937 30 10 HDEE C#CC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 1585305106 LLCOCIZCCGHPGV-QFIPXVFZSA-N 405.454 1.594 30 10 HDEE Cc1cc(Br)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1585660293 IWJQVIQQHGGQCG-IINYFYTJSA-N 403.323 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1587568222 OTEVHCHAQDJZSC-MGPUTAFESA-N 402.499 1.965 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCN1CCCO 1587568348 PDRKDYIAKAZHKU-WFXMLNOXSA-N 405.543 1.235 30 10 HDEE C#CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587834591 CSRBYWKSMSEAQZ-GOSISDBHSA-N 417.473 1.703 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1587842708 UQWIGZLEIJMWOM-INIZCTEOSA-N 416.493 1.469 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(CN(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1588059817 VOPJMUDKAUZAKF-LJQANCHMSA-N 415.563 1.577 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1C1CC1 1588138494 DTHVAYBFWKYAID-IEBWSBKVSA-N 415.563 1.270 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1ccn(C)n1 1588612437 GJPYQRBFLMNYSZ-UHFFFAOYSA-N 422.489 1.779 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)(C)CCOC)CC1 1588750959 HQTOBAGHJIFSLO-QFIPXVFZSA-N 419.570 1.748 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nccs2)CC1 1588864989 OGYHNRNHUCVDDQ-UHFFFAOYSA-N 419.514 1.989 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1594608642 SETMHUGHWCCUTQ-UHFFFAOYSA-N 419.555 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCSC1 1595466659 KZSPXUGIHJEWOH-CYBMUJFWSA-N 401.496 1.169 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1595562226 QSKQOGIASRDSDI-ZIAGYGMSSA-N 418.479 1.050 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C)[C@@H]1C 1595576904 BJONHBJQNFCNLG-KBPBESRZSA-N 402.524 1.807 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3cnc4c(Cl)cnn4c3)CC2=O)cc1 1595803461 SJYAWUKFPOWHJO-HNNXBMFYSA-N 408.849 1.966 30 10 HDEE CCCN(CCC)C(=O)c1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1607488924 MAESRKWIXPENDE-UHFFFAOYSA-N 423.473 1.780 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ccc(Br)c(C#N)n3)CCC2=O)cn1 1610906628 SDNQSRFCYSLMDX-SNVBAGLBSA-N 403.240 1.831 30 10 HDEE C[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1611490173 BPFIWEXHLUDLSH-OCCSQVGLSA-N 422.331 1.725 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1)N1CCOCC1 1611498901 IECGACPJDPXXRX-SFHVURJKSA-N 420.521 1.870 30 10 HDEE Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1612534628 MIHPVRMCZORDBI-KXEGMRRWSA-N 401.496 1.809 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1616330966 NKHGBJIQXCGFBP-SJLPKXTDSA-N 408.587 1.979 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4nc(N)ncc4C3)C2)C1 1616765721 XSIJSALTAMCONI-FDTVQSNTSA-N 412.494 1.730 30 10 HDEE COC(=O)Cn1ncc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c1C 1616948363 ZDAZKOHJSZMCLR-UHFFFAOYSA-N 404.467 1.954 30 10 HDEE CCS(=O)(=O)NCCn1c(Nc2cnn(C)c2)nnc1-c1ccc(C#N)cc1 1617402237 BBYVBIJBZDRHNC-UHFFFAOYSA-N 400.468 1.233 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619801464 CYJHRVKRBJOOLY-HMWBCQRISA-N 400.483 1.545 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2sc(C(=O)OC)cc2Br)CC1 1622372329 JZPHYXADJQNBCC-UHFFFAOYSA-N 408.295 1.446 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@H]3CN(C(=O)[C@@H]4C[C@@H]4C#N)CC[C@H]32)CC1 1626483942 BKOPIFQZAYWEIB-MXASKKJJSA-N 417.510 1.540 30 10 HDEE Cc1c(C(=O)N2CCC(CC(=O)N3CCC(N(C)C)CC3)CC2)cnn1CCC#N 1628564801 HJBFVANRMYHKCJ-UHFFFAOYSA-N 414.554 1.900 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C(=O)NCc2ncc(-c3cccc(C#N)c3)[nH]2)nn1 1630234729 GMEDZAMQVPLYEA-UHFFFAOYSA-N 407.434 1.812 30 10 HDEE C=CCN(C(=O)CC1(O)CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1630846773 BGZDBFDQMCVUGO-HNNXBMFYSA-N 416.540 1.340 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1631730036 IRUFRCGRVCGPEX-OAHLLOKOSA-N 409.508 1.989 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1633317963 YHEHRLOZNLIWHK-OAQYLSRUSA-N 404.463 1.350 30 10 HDEE CN1Cc2ccccc2[C@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1634919343 YTVIRNDHLKODPA-UXHICEINSA-N 417.469 1.672 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1634929502 ZOXOUDAXBXTZDX-UHFFFAOYSA-N 404.492 1.552 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)CC1 1635160218 JIONOTGCUFSGDQ-BZSNNMDCSA-N 405.564 1.497 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2)C1=O 1636586487 RIYVYZKQHVSSDW-UHFFFAOYSA-N 424.505 1.248 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1)C1CCOCC1 1637128976 ULQYIVIEMLGKLI-OFQRWUPVSA-N 408.442 1.566 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1)C(=O)OC 1637697823 XTMWIVYZTWZODH-DZGCQCFKSA-N 408.401 1.821 30 10 HDEE COC(=O)[C@@H]1CCCC[C@@H]1CN1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1642226226 CXBIYQGLISXXGN-IEBWSBKVSA-N 405.520 1.844 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2cccc(N3CCCC3=O)c2)c(=O)n1C1CC1 1644154205 GOBWQDGSRWKUIR-UHFFFAOYSA-N 407.430 1.291 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1644167978 NVCIWPBQWPGLGV-UHFFFAOYSA-N 421.457 1.977 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@@H]1CN(C)CC2 1645357234 IAKUZWJCIVCZQL-JZXOWHBKSA-N 418.563 1.835 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3n[nH]cc3I)C2)nc1 1646094766 BEEUXQCEXJFPTE-LLVKDONJSA-N 422.230 1.998 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[C@](C)(C#N)C3)CC2)cc1 1647827710 FSDLQUJOMOSLHE-YLJYHZDGSA-N 404.536 1.452 30 10 HDEE Cc1ccc(C(=O)N2C[C@@]34CCCC[C@]3(CN(C)C4)C2)cc1S(=O)(=O)NCC#N 1648193236 SVNTYJXRZXLIHA-SFTDATJTSA-N 416.547 1.745 30 10 HDEE COC[C@@H]1COCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1648403932 GQAVHLMYVMSSEG-SJORKVTESA-N 416.522 1.703 30 10 HDEE O=C(NCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccsc1 1651221321 WFQLDIAKDFXXGG-UHFFFAOYSA-N 401.444 1.772 30 10 HDEE C#C[C@@](C)(CC)NCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1654508522 MLXSOFGXLLZULS-FQEVSTJZSA-N 404.536 1.969 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1nc(-c2ccc([N+](=O)[O-])cc2)oc1=O 1656385440 RAHLHDZXFMYGGI-UHFFFAOYSA-N 404.338 1.711 30 10 HDEE COC[C@@]1(C(=O)OC)CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1659566473 BNDXRESZUSQPHO-OAQYLSRUSA-N 411.462 1.727 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1659982297 GKTOGHDSVDHHIQ-FQEVSTJZSA-N 400.504 1.322 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1661349262 BBWIKAPSKWEFNM-SNVBAGLBSA-N 403.258 1.278 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)ccc1Br 1661962712 DPSCYGMIPHJBPD-KBPBESRZSA-N 419.322 1.661 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1674887514 HJZFTXAUSMKIPJ-RBUKOAKNSA-N 419.547 1.981 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)CC1 1678385864 ODPDIZIQJGBMPW-RDTXWAMCSA-N 408.499 1.244 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CCOc2cccc(OC)c2)CC1)C1CCOCC1 1682886859 AQDNXPHMUZEFMK-OAQYLSRUSA-N 401.507 1.830 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1686634048 IWEFFAXOHFSMGO-MSOLQXFVSA-N 417.554 1.832 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1689923390 QUHUDTXZMVAKFS-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)[C@@H]1CC 1689926627 UYQQFAFFHWTYLV-INIZCTEOSA-N 405.462 1.722 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1689928230 JVDIBSLEGOUABD-INIZCTEOSA-N 412.519 1.667 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(F)cc1 1689965955 HPYWBURFOYWQBG-GJZGRUSLSA-N 406.483 1.856 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689978466 WDUKRNPCEGCIFU-HRCADAONSA-N 407.540 1.260 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1(C)C 1690020011 WPGAHYIOPQALNF-JKSUJKDBSA-N 406.577 1.785 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CCC1 1690034749 QKIHALFCQJTQRM-KCWXNJEJSA-N 418.563 1.694 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690075055 BLDVTKUIBDFCPT-MOPGFXCFSA-N 416.570 1.574 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1690110447 MTKKJESICZMYGQ-LJQANCHMSA-N 401.603 1.357 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@@]2(O)CCOC2)CC1 1690150539 LQOICZOCSSAVAF-QFIPXVFZSA-N 415.538 1.128 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCOC1 1690154989 CBOVNDKVFFXYFL-HUUCEWRRSA-N 415.585 1.118 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690299442 RDCBUQAUGDREBC-GOSISDBHSA-N 420.558 1.168 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1690482041 XKJXMUCJRANDNF-HNNXBMFYSA-N 405.462 1.887 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1690507769 WFEKMZYJYCDQLK-QGZVFWFLSA-N 409.556 1.753 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(F)c2[C@@H]1C 1690659432 SKBTWBVCZKTDLQ-AWEZNQCLSA-N 414.485 1.981 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1690749799 PXHCUASRYIYAHV-QGZVFWFLSA-N 420.583 1.672 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1691477516 UMJLNMZSUUZCQS-HNNXBMFYSA-N 411.510 1.679 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccncc2Cl)CCO1 1698491348 YQEYFPWHIYXINV-AWEZNQCLSA-N 424.852 1.751 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705522919 HRTPRHMFDCFLCJ-KRWDZBQOSA-N 420.477 1.441 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNC(=O)c1cc[nH]n1 1705547108 UHLUEMWJISFTDR-UHFFFAOYSA-N 413.869 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1705639214 IXESUSHNLMFUIC-WOJBJXKFSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705662484 ZZMSNAIYEMOLKA-HOTGVXAUSA-N 407.540 1.863 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705805530 JKBNLVCICYSEEI-YESZJQIVSA-N 421.567 1.594 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1705873440 ITQXHDZXFBXWAW-CQSZACIVSA-N 400.508 1.899 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H](C)C1 1705884881 ZQAIDAFVNHFBNQ-BRWVUGGUSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705896181 DPEYSADXEGYZPS-IPMKNSEASA-N 411.506 1.975 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H]1c1nncn1C 1705896214 FOLDTIACODXESH-KRWDZBQOSA-N 422.493 1.726 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC2(CC1)COC(=O)N2 1705906141 UFNJXAFLFGCADA-UHFFFAOYSA-N 402.499 1.392 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCS(=O)(=O)CC2)cc1 1705911223 BYCBPEQXRYIHKJ-QGZVFWFLSA-N 418.519 1.630 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC1 1712222456 IDPAJTYSFYETDK-UHFFFAOYSA-N 410.478 1.600 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722378214 RHZOLUDQEKKUEG-QGZVFWFLSA-N 420.439 1.620 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1722381680 AMZNEJBQRGKITC-IBGZPJMESA-N 401.474 1.792 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722436676 KQSZYNXIIAKQQY-MOPGFXCFSA-N 413.570 1.105 30 10 HDEE C=CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1722616503 WAOGWMZLSARCEF-UHFFFAOYSA-N 401.519 1.168 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1722659031 PDEYNOSHYDPDFI-UHFFFAOYSA-N 406.494 1.770 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@H](n2cncn2)C1 1722696182 DJXVPALKKJPCPS-KRWDZBQOSA-N 406.494 1.989 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722696839 SWVJBBOAAMPNDX-CQSZACIVSA-N 423.514 1.646 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1726404053 NLQIRHYGTLDKSY-INIZCTEOSA-N 415.523 1.005 30 10 HDEE C[C@@H]1CCCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1726575209 AJLPRIFRHACYRG-MJGOQNOKSA-N 412.542 1.919 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1729762495 HREXESXCYKLYPV-FGTMMUONSA-N 411.462 1.356 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1740609162 LPPJGNFWBWQZAH-OAHLLOKOSA-N 401.467 1.518 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1740611079 SZXMMLGEGHOIFK-KRWDZBQOSA-N 403.508 1.037 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740620059 SZBONLWQLNOIJF-QGZVFWFLSA-N 413.503 1.214 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1740646286 VHQMCPCXUDASSH-INIZCTEOSA-N 419.489 1.303 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1740675578 SAVCABYHRPLCTB-IRXDYDNUSA-N 409.556 1.478 30 10 HDEE C#CCSCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1740723218 OACUSXWMUPCRAT-LPHOPBHVSA-N 405.524 1.414 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1CCS(C)(=O)=O 1740917586 XTUIJYNTOPOHDE-UHFFFAOYSA-N 405.524 1.654 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1740950889 LQYASAVBYFYWQY-SJORKVTESA-N 418.542 1.362 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1740955510 WMNWGZWAWDXNQN-XEWABKELSA-N 411.506 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740989818 AHFRDNOQMZTWDM-CVEARBPZSA-N 418.523 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1740992325 FCHDBCHLMXLQDV-SJLPKXTDSA-N 419.551 1.726 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1740996512 NXOJLHWECANCFW-AWEZNQCLSA-N 415.585 1.567 30 10 HDEE CC[C@@H](C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1743853136 HGMUINOPMJMXKA-HUUCEWRRSA-N 411.576 1.359 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccco2)CCOC1 1746732916 CILBSYAPIGVFOL-UIAACRFSSA-N 417.466 1.160 30 10 HDEE CNC(=O)CCn1c(-c2ccccc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748271021 FPJCLKJLDAAKCV-UHFFFAOYSA-N 417.473 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO 1748682451 VUGZDGBMMIMWDU-MAUKXSAKSA-N 402.568 1.939 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1748772948 QPRSVNHGTMRTAE-HNNXBMFYSA-N 405.524 1.543 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1748825857 GZZRERSRYARSRL-LSDHHAIUSA-N 409.581 1.493 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(OCC)CCCC1 1748846524 IAXFYEIUBBMRLV-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCO[C@@H](C)C1 1748847298 RADOBFBVBBZBMC-RCCFBDPRSA-N 404.536 1.458 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1748948860 YTNNNJAOEQEYJB-PGRDOPGGSA-N 415.538 1.805 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccon1 1749118487 GRPMJXNZCMKVBG-DZKIICNBSA-N 424.527 1.494 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1749755868 NEHJKCJXGHLOEP-HNNXBMFYSA-N 422.580 1.568 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CC=CCO2)c1 1750381511 WBYLNKHSKFQFIF-IBGZPJMESA-N 422.489 1.633 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)C1 1751276986 HFVLWPIGMIJOKY-LJQANCHMSA-N 402.524 1.829 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1760136975 MRIHBIPPEXJUDC-IRXDYDNUSA-N 400.527 1.775 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760183802 TWYCBAHFEMHGOP-WBVHZDCISA-N 417.535 1.870 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc21 1760201946 ODCRSROAKVINTA-PKOBYXMFSA-N 402.502 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1760210069 MJEMRGALNDHIFK-JOCHJYFZSA-N 409.490 1.005 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCN(C2CC2)C1 1760211054 AABWPBGGZNNULI-WMZHIEFXSA-N 411.550 1.877 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(O)c1 1760248139 BNXHLSQMGLKASP-UHFFFAOYSA-N 409.446 1.846 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1760396823 JEMARVCBPBFSHK-FGZHOGPDSA-N 419.570 1.788 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760441922 ZMXQRJPAKJEHGF-UHFFFAOYSA-N 409.494 1.751 30 10 HDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760512066 BLBXOEIFOPZALO-SJLPKXTDSA-N 400.479 1.618 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760541061 UKKPKIPMWXSLCE-HOCLYGCPSA-N 411.466 1.110 30 10 HDEE CNC(=O)c1cccc(CCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1769182090 HDBOBYYEIWIQPF-QZTJIDSGSA-N 410.478 1.461 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CC1 1769221004 AHFZIVNRMOWYLY-UHFFFAOYSA-N 418.505 1.869 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1769721058 CXSAHIKJRIOMET-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1770316515 JKZSGPYOOMJTNX-UHFFFAOYSA-N 401.492 1.355 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncccn1)C(=O)ON1C(=O)c2ccccc2C1=O 1772787295 DDATZKCWZKLLKL-CQSZACIVSA-N 412.402 1.667 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@H]1CCN(C)C1=O 1849168265 YALVIPLRYWSCTN-MJGOQNOKSA-N 419.547 1.641 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)cc1 1849561574 ZQKFHMPJODDKQA-KRWDZBQOSA-N 402.520 1.411 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851153904 ZQNDDRGTYLLPHE-UHFFFAOYSA-N 417.365 1.543 30 10 HDEE N#Cc1ccc(OCCOCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1852037150 IWBDVXBIVUOPAJ-UHFFFAOYSA-N 415.515 1.960 30 10 HDEE CCN1C(=O)CN(CC(=O)N(C(=S)N=CN(C)C)c2ccc(Cl)cc2)C1=O 1852251263 FULPQYHSKXQBLT-UHFFFAOYSA-N 409.899 1.832 30 10 HDEE Cn1c(=O)n(CC(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)c2ccccc21 1853223545 XKQXZQWUNKIMAQ-UHFFFAOYSA-N 409.490 1.341 30 10 HDEE CN(C)c1ccc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)cn1 1853304478 DMUGVTWQOLQTGZ-FQEVSTJZSA-N 410.474 1.956 30 10 HDEE C=CCC1(S(=O)(=O)NC(C)=NOCC(=O)N2CCN(c3ccccc3)CC2)CC1 1853581288 QWYCEKVAKRGTAS-UHFFFAOYSA-N 420.535 1.713 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)CC1 1853738824 LCKUYTYUJQGJKV-IEBWSBKVSA-N 412.490 1.864 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccccc2-n2cccn2)C1=O 1854174886 IFNYUXSBRRCVDR-RBUKOAKNSA-N 407.474 1.332 30 10 HDEE CCC[C@H](F)C(=O)N1CCCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885350 WOFWHANZYIVORY-DOTOQJQBSA-N 402.474 1.515 30 10 HDEE Cc1cnc(C(F)(F)F)c(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c1 1855006838 BSGSAGPLTJWVRI-CQSZACIVSA-N 409.412 1.681 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ncn3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855122613 UQOGZEMVAZRCIY-OAHLLOKOSA-N 405.458 1.647 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)Cc2ccc(F)cc2F)CO1 1855323626 ITWNHDZAYJUYJV-HNNXBMFYSA-N 408.382 1.927 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@@H]4COC[C@H]4C3)ccc21 1855555908 AGEAVAXUGDJPPR-HZPDHXFCSA-N 404.488 1.726 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)c1 1855612806 YRFCHPHJGIPHSY-KRWDZBQOSA-N 401.488 1.751 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cn2c(=O)oc3ccccc32)CCN1Cc1ccc(C#N)cc1 1855642209 FPNOYGXHCZOJCA-OAHLLOKOSA-N 404.426 1.726 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1=O 1856334297 MFFNWSIBTXPRMC-UHFFFAOYSA-N 403.442 1.878 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3COc4ccccc43)C2)CC1 1857020282 VLIGUWRZQFAQLU-WBVHZDCISA-N 417.487 1.103 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cn2ccnc2C2CC2)C1)[C@@H]1CCN(C)C1=O 1857053546 QTIGGZPREMHTGL-FUHWJXTLSA-N 413.522 1.244 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CSC3CCCC3)C2=O)C1 1857108410 SFYKAPFXVHTPKX-KRWDZBQOSA-N 400.504 1.820 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3cnccc3c2)C1)[C@H]1CCN(C)C1=O 1857263418 GKBHFEBMZZBCGC-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE COc1ccc2c(C(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)cc(OC)nc2n1 1857274531 OIQSPGBRKZGHQW-MRXNPFEDSA-N 409.446 1.624 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2sc(C)nc2C)C1)[C@H]1CCN(C)C1=O 1857282265 UZBBXDZEMDVOJQ-CVEARBPZSA-N 404.536 1.396 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1 1857360713 MGGMNHXXNDHNFH-FQEVSTJZSA-N 408.502 1.215 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2cccc(Cl)c2)c1 1861267641 AMLUDCWWIFIWGY-ROUUACIJSA-N 415.877 1.428 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563962 PFICOINUJCCVJG-DYZYQPBXSA-N 413.386 1.842 30 10 HDEE CCCCCCCOc1cn(CCCN(C)C)c(CN(CCO)CCO)cc1=O 1870412180 YOQIXIRNLCZUOW-UHFFFAOYSA-N 411.587 1.936 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccncc1 1874433759 WXNDGPWXCGCGNR-DNTJNYDQSA-N 416.492 1.379 30 10 HDEE CC(=NO)c1ccc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1 2067325825 PASYLFSKZWUSBW-UHFFFAOYSA-N 401.444 1.600 30 10 HDEE C=CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074681558 UIYOIXPKOFVGCX-XLGKRILJSA-N 410.492 1.584 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)c2cccnc2C#N)CC1 2174780809 YMXOEITUWFJTRC-UHFFFAOYSA-N 414.509 1.797 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174783312 AXNYRMXQDLMBJX-HNNXBMFYSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1C#N 2187586473 XOHIKPHAWNDCPW-KBPBESRZSA-N 415.899 1.860 30 10 HDEE CCCN[C@H](C#CCOC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2235922060 DERGTHMFWUTAGU-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390687 ZPUDXDBFSDNHBP-UHFFFAOYSA-N 404.276 1.774 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NCc2ccn(Cc3ccccc3)n2)OC1(C)C 2247826283 RIKVJYQHXPYZAE-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826997 CQZFSNLRAOKTBJ-QWHCGFSZSA-N 420.319 1.885 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC(=O)NCc2ccccc2)n1 2247843751 PRRPQYBPYUYVQT-UHFFFAOYSA-N 412.299 1.248 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2COCCCO2)OC1(C)C 2282336150 ZGAFHIYNJVPMIQ-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CCN1 2282492588 PMBUUDDIEBCSHI-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@]23COC[C@H]2C3(F)F)OC1(C)C 2282493159 VFBYJDVCZOGSFY-BXUZGUMPSA-N 407.269 1.360 30 10 HDEE CCC[C@@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282500578 ZAWNYLRQCGMUFD-GFCCVEGCSA-N 404.363 1.270 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCOC[C@H]2F)OC1(C)C 2282501501 XXRPBIYJMZDRAD-CHWSQXEVSA-N 405.322 1.594 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505807 JLFUCHPXQNBMRF-UHFFFAOYSA-N 413.395 1.928 30 10 HDEE Cc1nn(C)c(C(=O)N[C@H]2CCCC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282573557 BWEINWSVPLVROF-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCOC3=O)c(Cl)c2)OC1(C)C 2282825044 GQYVUFHWWQNPKP-LBPRGKRZSA-N 401.677 1.233 30 10 HDEE CNC(C)(C)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282833478 HTHMTWGEGQPASG-UHFFFAOYSA-N 402.753 1.916 30 10 HDEE COC[C@@H](C)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837035 RPCJEWVMDRRXDM-LBPRGKRZSA-N 404.363 1.486 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]2C[C@@H]21 2282839775 AGMLOBRLRJCSJM-NWDGAFQWSA-N 418.777 1.778 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](CO)C3CC3)cc2Cl)OC1(C)C 2282840652 IIBCRBISKIIIQL-LLVKDONJSA-N 421.777 1.998 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCCCC3CNC3)c2)OC1(C)C 2282855136 ZVHNDPGMFKULEV-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCSC1 2282875827 UWTPVZNKEQUKBX-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CC[C@H](CCC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410827 WUTAWTMITWEWMP-LLVKDONJSA-N 403.331 1.969 30 10 HDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(F)c1C#N 2285472078 FVWBTTPWKOHYKA-GFCCVEGCSA-N 401.460 1.594 30 10 HDEE Cc1nnc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1C 2288580829 UXNGBFKDIVSVPF-UHFFFAOYSA-N 418.737 1.938 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](O)C[C@H]1C(F)(F)F)C(F)(F)F 2294643602 UPGSXDFWJCMTHV-JHEQGTHGSA-N 404.229 1.900 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2298373943 MWIZIQMJCWQMSB-FPMFFAJLSA-N 418.303 1.447 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCNC[C@@H]1C(=O)C=Cc1ccco1)N1C(=O)c2ccccc2C1=O 2328155826 JJOSQJHQDCQUEB-MDASCCDHSA-N 421.453 1.641 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)OCc1ccccc1 2329485015 UINQOYPNTOJCSH-VDZJLULYSA-N 412.471 1.828 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccc1 2330748457 RPKXRDWWJAWYGQ-UHFFFAOYSA-N 415.504 1.984 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362563713 GOBVRGVORAMARE-GHMZBOCLSA-N 402.347 1.336 30 10 HDEE CCN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2363644817 WKKVJLYBXVJHLT-NFBKMPQASA-N 416.518 1.937 30 10 HDEE CCC[C@@](C#CC(C)(C)S(C)(=O)=O)(CNC(=O)OC(C)(C)C)OCC(=O)O 2365254407 NTXGJAHQGCMOOP-GOSISDBHSA-N 405.513 1.978 30 10 HDEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367804546 USJILTLUAJKRQX-RKVPGOIHSA-N 400.541 1.604 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805444 BMBDDRRPYUXHEP-WCVJEAGWSA-N 400.541 1.291 30 10 HDEE CN(CCC[C@@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C(=O)OC(C)(C)C 2367812310 RPMDFDJXHBLWAS-MAUKXSAKSA-N 402.557 1.683 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2367820518 VTWOYPBHLCJTHX-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2372803526 HEBBUNCNOTWTKW-RDTXWAMCSA-N 404.529 1.810 30 10 HDEE C#CCNC(=O)CN1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1Cl)NC(=O)N2CC 34793379 WOZOKLYLQYXETK-QGZVFWFLSA-N 421.284 1.925 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1S(=O)(=O)N(C)C 427109277 URMVGAZJZFCQBR-UHFFFAOYSA-N 424.504 1.712 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC2CCC(C#N)CC2)C1 441022167 BTONWWKXAJREMP-OFLPRAFFSA-N 400.545 1.398 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)n1 443990276 NLUREKHWUDLHFL-UHFFFAOYSA-N 407.427 1.560 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CN2CCOCC2)c1 462581926 WHEAXUZNBGDAJX-SFHVURJKSA-N 407.536 1.478 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 467085379 NUSNRVFKDQNGQK-UHFFFAOYSA-N 413.455 1.543 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC1(c2nn[nH]n2)CC1 473378646 GTCUYRMYXSFQRN-UHFFFAOYSA-N 407.228 1.417 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474689516 XGILLIOKXMBKPP-PMACEKPBSA-N 403.479 1.932 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 474835747 BKGXJKNTSKTNFS-JKSUJKDBSA-N 415.494 1.236 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 484920306 QWUGXCOUIJIUQD-LIRRHRJNSA-N 415.471 1.531 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1F 488895692 ZNNXBDAFCSUGJQ-UHFFFAOYSA-N 409.464 1.393 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C#N 489105064 SPCCSIFMNYCYHM-UHFFFAOYSA-N 418.450 1.313 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(Cc2cc(C#N)ccc2Br)CC1 517059671 VLDYJJQPZCSDCA-UHFFFAOYSA-N 401.330 1.635 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 521102192 OEQLTSHUHGUHQV-INIZCTEOSA-N 400.460 1.899 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccnc(C)n3)CC2)c1 545405327 YOXZIOFZNGYOCP-UHFFFAOYSA-N 401.492 1.212 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)c1 559199420 CLYVUOVFHHGUKL-KURKYZTESA-N 404.492 1.496 30 10 HDEE COc1cc(CNC(=O)NCc2cccc(S(=O)(=O)N(C)C)c2)ccc1C#N 569400500 KJXLKXIPPUIVMP-UHFFFAOYSA-N 402.476 1.817 30 10 HDEE CN1CCN(C(=O)[C@H]2CCc3ccccc3N2S(=O)(=O)CC2(C#N)CCC2)CC1 569509756 ZCQKCQAPWJOFDO-LJQANCHMSA-N 416.547 1.605 30 10 HDEE COc1ccc(S(=O)(=O)N(CCNC(C)=O)Cc2ccc(C#N)cc2)cc1OC 586172420 RZFGSYZBWCVOTR-UHFFFAOYSA-N 417.487 1.902 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCCN3CCCS3(=O)=O)CC2)c(F)c1 586768425 RJTOLSCWFOMMRW-UHFFFAOYSA-N 408.499 1.456 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)c(F)c1 586862066 IOKXVLRPVOILBB-GOSISDBHSA-N 400.454 1.753 30 10 HDEE C[C@H](C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1C(=O)c2ccccc2C1=O 589849835 BKPKAFFEXFEVQD-AUUYWEPGSA-N 416.437 1.460 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]3CCCO3)c2=O)s1 726180245 YPVDZOYDJZEZBC-CQSZACIVSA-N 417.556 1.972 30 10 HDEE Cn1c(CCC(N)=O)nn(CN2CCC(Oc3ccc(C#N)cc3)CC2)c1=S 728902879 CQLKFNYKBOCNEH-UHFFFAOYSA-N 400.508 1.742 30 10 HDEE C#CCN(C(=O)CCn1cnc2sc(C)c(C)c2c1=O)[C@@H]1CCS(=O)(=O)C1 729331303 BFHMGEFPMLJGDK-CQSZACIVSA-N 407.517 1.114 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(F)c(C)c2)no1)[C@@H]1CCS(=O)(=O)C1 729334713 BNMRBBNVIPJNCF-OAHLLOKOSA-N 405.451 1.766 30 10 HDEE N#C[C@@H]1CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CCN1C1CC1 732649303 DWKDDCMLQDWPDY-HXUWFJFHSA-N 410.518 1.893 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NS(=O)(=O)C3CCCCC3)C2=O)cc1 733859635 ZHWACKPTIMVVTP-MRXNPFEDSA-N 418.475 1.542 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(O)C2 735831906 QEVRDEQCHUWKEQ-ZQIUZPCESA-N 405.520 1.798 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccc(C#N)cc1 740196090 YZQKUJKMWCENLU-QGZVFWFLSA-N 413.430 1.912 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)OC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 746922545 FNGRBDUDRSNMMX-ZDUSSCGKSA-N 423.429 1.834 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)c1ccc(OCc2ncnn2C)cc1 748907039 WHASFTLFCQCSPB-UHFFFAOYSA-N 411.443 1.693 30 10 HDEE CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 752215684 UDKHPRAISYDDEO-ARFHVFGLSA-N 419.459 1.272 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@@H](C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758060128 RJPMQOPKNBNDHP-HNNXBMFYSA-N 417.494 1.242 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 768047726 IUUUMMPJJSPCTF-UHFFFAOYSA-N 414.287 1.000 30 10 HDEE C#CCN(Cc1ccc(O[C@@H](C)C(=O)N(C)C)c(OCC)c1)[C@H]1CCS(=O)(=O)C1 768932625 YGTZZHXRQOFZFJ-WMZOPIPTSA-N 422.547 1.563 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)c2cnn3cc(Br)cnc23)c1 770122130 RIVSAEJVQWGPGQ-UHFFFAOYSA-N 420.248 1.623 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774023477 PYGRYEWEBYBCMK-LJQANCHMSA-N 404.536 1.483 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774229337 VVBGZDMFHBNJFO-CVEARBPZSA-N 409.895 1.277 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCn1nnc2c(cnn2-c2ccccc2)c1=O 781226709 BYPFVWTZSXWHQN-AWEZNQCLSA-N 416.397 1.817 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 784118153 MRTCJXMKUDLQDG-KRWDZBQOSA-N 420.510 1.475 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCCN(CCOC)C(=O)C2)ccc1OC 786761791 SIXZVFZKQYQJNB-QGZVFWFLSA-N 418.494 1.766 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(N2CCCC2=O)cc1)OCC#Cc1ccccc1 791282572 RDWGRQILPGVVDG-UHFFFAOYSA-N 412.467 1.687 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)cc1C 801376335 HQIFMLKVFNAHNR-ANNUQZOISA-N 412.446 1.529 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2C[C@H]3COC[C@@H](C2)O3)c1 801616784 JIQWPIZNUZSHMR-WLBYNQIMSA-N 408.480 1.131 30 10 HDEE COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802535095 YIBRQGGTQMNBAB-KRWDZBQOSA-N 412.494 1.785 30 10 HDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@@H](C#N)C(C)C)CC1 807194974 QNNDIYFQGSJEML-HOTGVXAUSA-N 410.515 1.525 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 809920892 GJQQVUUOMQSVMQ-AWEZNQCLSA-N 408.503 1.345 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)NO1 810787245 OQGTUWVFSBVHEL-IRSISTHHSA-N 405.454 1.704 30 10 HDEE C#C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc(Cl)cc1 812350812 BIODDPREJAJNFQ-CQSZACIVSA-N 413.846 1.856 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1 813981895 LHMGHWJKIDYGKS-UHFFFAOYSA-N 409.349 1.827 30 10 HDEE CCOC(=O)N[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)CC(C)C 916629409 IZPPQHMZYYTFSS-KRWDZBQOSA-N 402.499 1.946 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccoc2C)n1)[C@H]1CCS(=O)(=O)C1 918755959 IFNUTCHGTCOLGW-AWEZNQCLSA-N 421.500 1.488 30 10 HDEE Nn1c(NN=Cc2ccco2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 1084369022 JUSBWOXSUZFLOH-UHFFFAOYSA-N 402.396 1.670 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1 1125191048 RMOVHHJCOYKOOW-UHFFFAOYSA-N 423.494 1.996 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c2ccccc2n(C)c1=O 1127138199 DUWLJPFJEKEVSA-AWEZNQCLSA-N 402.458 1.860 30 10 HDEE C=C(C)CCNC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1129192210 BLQDIAMBAXXGPM-UHFFFAOYSA-N 407.492 1.852 30 10 HDEE N#C[C@]12CN(C(=O)CCCc3ccc4c(c3)OCCCO4)C[C@H]1CS(=O)(=O)C2 1134649697 KUPFZGDTNQKVAL-OXJNMPFZSA-N 404.488 1.567 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C3(C#N)CCSCC3)ncnc1-2 1136683457 CSWOVXIVHZNMBH-UHFFFAOYSA-N 424.328 1.064 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1S(=O)(=O)NCC#N 1141429319 LKOCYOCCRIQFTE-KRWDZBQOSA-N 415.519 1.796 30 10 HDEE N#Cc1ccccc1C(F)(F)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1143439731 SSTRLTUAFWNKBQ-UHFFFAOYSA-N 414.416 1.295 30 10 HDEE CN(C)CCCN(C)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1166160186 NFKNNJQCIGGUSQ-UHFFFAOYSA-N 422.371 1.757 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1171442066 ZHLSNQGCOYYZEX-CQSZACIVSA-N 403.907 1.730 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](CCO)c3ccccc3F)CC2)o1 1171501136 GPPDVLINKACCRZ-QGZVFWFLSA-N 401.442 1.356 30 10 HDEE CC(C)[C@H](NCc1c(C#N)cccc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 1194010717 YOASIJQCGFYJGP-IBGZPJMESA-N 411.466 1.777 30 10 HDEE C=C(C)CS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1195601651 CBMZSROBBWSLLQ-ZDUSSCGKSA-N 420.272 1.670 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(Cl)cc1F)C(=O)OC 1211664045 DULONOJNBDNERJ-CYBMUJFWSA-N 423.846 1.678 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3cncc(C#N)c3)CC2)nc1 1213632721 FJWBQVDUXHPGPE-UHFFFAOYSA-N 415.475 1.282 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(=O)N1CCOCC1 1230350953 KZZXLPWZCCINEE-FQEVSTJZSA-N 413.522 1.663 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1Cc2ccccc2OCC1=O 1248630920 LSWFFNHHELLQAG-UHFFFAOYSA-N 401.463 1.394 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCC[C@@H]3CCCS3(=O)=O)CC2)c1 1252506039 AGSHDUVEOQRROT-IBGZPJMESA-N 404.536 1.789 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3cn(C(C)C)c(=O)nc3O)CC2)c1C#N 1256557047 IIJLKGOMJKIMEL-UHFFFAOYSA-N 417.495 1.198 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)C1 1286316716 FPPNJIZZKIYPGJ-UHFFFAOYSA-N 405.466 1.003 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286338309 LFIIIDASZWDQTP-ROUUACIJSA-N 423.521 1.496 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC(F)F 1286358198 CXWLXPFJFCXSCR-UHFFFAOYSA-N 404.421 1.598 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1CCNC(=O)c1cc[nH]n1 1286377709 DAPKIFAICMHWSE-UHFFFAOYSA-N 407.478 1.696 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1286379097 GMLUKPWIBFJVLE-UHFFFAOYSA-N 408.506 1.355 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1286392148 HWHOECVXPXDJMX-OXQOHEQNSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)O 1286439983 ZSWXMIYQFVBTNH-UHFFFAOYSA-N 414.535 1.472 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1286530716 CUIMHLDIDFITPR-UHFFFAOYSA-N 406.288 1.316 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1286726480 FLOZCXKFGWCNSU-HNNXBMFYSA-N 411.553 1.651 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1286728191 PRESQZBXFBUQHN-UHFFFAOYSA-N 400.508 1.740 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1286775438 IRSLKEKUFLSFBX-UHFFFAOYSA-N 401.496 1.340 30 10 HDEE Cc1c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cnn1CC(C)C 1289245527 KCRALVNDRIYROE-UZLBHIALSA-N 414.489 1.880 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1291795406 GAMFAFLEHXCWSL-YJBOKZPZSA-N 423.521 1.823 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1291827369 ADBXQVAPVKKWDO-PYWIUJKZSA-N 422.505 1.749 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 1292139678 IPTWXKABGFKIOB-GOSISDBHSA-N 402.495 1.768 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 1292890093 UXGZVNPQVRWAIM-QZTJIDSGSA-N 420.554 1.306 30 10 HDEE CCCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1294743965 IETQKVZHKKIHNZ-OXJNMPFZSA-N 403.506 1.830 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1300464383 CIGSHRGHKPFTSN-INIZCTEOSA-N 415.498 1.438 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1300578053 GFSJDYACSFFJQM-WAOWUJCRSA-N 422.485 1.793 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCCC1 1300664337 QTZGZYVBIQJNBT-ZWKOTPCHSA-N 402.543 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H]1COCCO1 1300676817 SMGMKRZMFNEIEO-KZNAEPCWSA-N 406.527 1.698 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCCO[C@H]2CCOC2)CC1 1300722855 MNOJHQLONWTWJB-IBGZPJMESA-N 415.538 1.707 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1300735077 BCKZKEDKVSPHDE-YJBOKZPZSA-N 405.520 1.672 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300888115 HYCQPQPFUNKOKN-QAPCUYQASA-N 411.572 1.682 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1300892916 WJJJAVQBAVMROX-PDOICOKGSA-N 419.526 1.232 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1301517678 ASEAUFRUFNIXBM-CQSZACIVSA-N 419.486 1.201 30 10 HDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@@H]2COCCO2)CCO1 1303010376 UWZPIDXQYDZDBQ-MOPGFXCFSA-N 413.478 1.434 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCN1CCCS1(=O)=O 1303066732 OBNTYVADGKRKSS-QGZVFWFLSA-N 424.571 1.931 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC(C)(C)C2)n1 1304734348 DANDJBVVCYJTPE-KRWDZBQOSA-N 414.558 1.989 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccccc1SCC#N)CCS2(=O)=O 1304735972 CHEVLHZYQVGDDC-SHYRYGCCSA-N 422.528 1.931 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)Nc3n[nH]cc3C(=O)NC3CC3)ccc2c1=O 1306895548 XUHFEEDXHOGJPW-UHFFFAOYSA-N 410.459 1.739 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4nnccc4C#N)C3)[C@@H]2C1 1307193880 KOJMDILAJPPZOO-ZNMIVQPWSA-N 400.439 1.367 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 1309604007 FVIAKPVWHLXJFX-UHFFFAOYSA-N 409.508 1.740 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1310329067 PZDRNZAJVMEGDH-UHFFFAOYSA-N 419.425 1.909 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1313097360 NTPNPRPGZKUPJR-INIZCTEOSA-N 412.512 1.126 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1 1314929456 XDYYXKSAUQMYTO-UWJYYQICSA-N 412.494 1.020 30 10 HDEE COC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CCO1 1315953910 YYUHKTMWJMXSKL-WBAXXEDZSA-N 417.466 1.367 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1315978180 CDXBJFLEJAVDQO-RXVVDRJESA-N 415.494 1.682 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1358918018 IKTQXQFQUGLDDZ-NQIIRXRSSA-N 403.527 1.255 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1358924398 VOBNYQJILWRRRU-KRWDZBQOSA-N 405.466 1.049 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1 1358978854 WMCSLKRXADMGPY-GOSISDBHSA-N 404.536 1.460 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCn1cc(Br)cn1 1358998596 KSPUXKLRZGWXII-UHFFFAOYSA-N 405.300 1.937 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1Cc1nnn(C)n1 1359016303 XLYJYVXPROLJLB-UHFFFAOYSA-N 406.429 1.029 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1359021007 YLFUNEVZXOPRNO-WOJBJXKFSA-N 409.490 1.954 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C(C)C 1359064639 XMPUUSZSMKSRNY-QFBILLFUSA-N 410.588 1.611 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359157502 LHRAUBHJQDUEAH-CQSZACIVSA-N 403.936 1.742 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1359201194 GCDIIJURJUCRKG-LJQANCHMSA-N 424.553 1.834 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1359277207 FNOOWVWLSHZGRA-IRXDYDNUSA-N 401.467 1.473 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1359296679 QMJUMTLMUZSYRY-LJQANCHMSA-N 421.505 1.658 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCNC(=O)CC1 1359305175 VGOIHQCHPMOONE-UHFFFAOYSA-N 414.535 1.507 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1359471284 OYEYGYAHFIYBJL-HOCLYGCPSA-N 420.468 1.687 30 10 HDEE C[C@@H](CN1CCOCC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1441375214 WIROBTDSRMQNEI-ZDUSSCGKSA-N 407.312 1.594 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3cccs3)nc2C)CC1 1455114208 BKLBTPUHNFSAPN-UHFFFAOYSA-N 410.546 1.405 30 10 HDEE Cn1c(N2CCC[C@](O)(c3ccc(Br)cc3)C2)c(C#N)c(=O)n(C)c1=O 1458670271 UVCBGHZLJMIBHZ-GOSISDBHSA-N 419.279 1.206 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2cccs2)C(C)(C)C)c(=O)n1CCO 1459244772 XTHBTRVDFCWFJI-MRXNPFEDSA-N 404.492 1.148 30 10 HDEE C=CCC1(NCC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)CCCC1 1460447349 LKCKFSVMOUQHRL-UHFFFAOYSA-N 421.563 1.802 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1460568888 LZKBRJWXOBOZHI-SJORKVTESA-N 422.551 1.592 30 10 HDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(CC(F)(F)F)CC1 1460887564 RIWXKBAELWSKIG-UHFFFAOYSA-N 418.441 1.210 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1467532414 SUVSURCUHPURLF-IERDGZPVSA-N 420.510 1.778 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3OCCO[C@@H]3c3ccccc3)C2=O)cc1 1467707567 QHMOWAQPZWUFRF-NJDAHSKKSA-N 405.454 1.932 30 10 HDEE CCCCOc1ccc(C(=O)NCC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1467990971 GZSJCMFVDPMVNV-UHFFFAOYSA-N 401.463 1.901 30 10 HDEE C#C[C@@H](NC(=O)N(Cc1cc(C)c(C)c(S(N)(=O)=O)c1)C1CC1)[C@@H]1CCCO1 1469867824 LKHFFTIDXQYIMU-MSOLQXFVSA-N 405.520 1.806 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N(C)Cc1nnc2n1CCNC2=O 1471857885 QYPPSLURWIJLOM-UHFFFAOYSA-N 409.368 1.877 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC3(CS(C)(=O)=O)CCC3)ccc2c1=O 1472578905 KYGMRNOMURDBSI-UHFFFAOYSA-N 421.544 1.816 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2cccc3ccccc23)CC1 1477833580 ZMKXLHCHXHVIHN-UHFFFAOYSA-N 400.504 1.177 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)n1 1492754309 WMUKWMOUQHAFQL-ZWKOTPCHSA-N 415.498 1.064 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N[C@H](C)CC 1499162143 IKXRQWUTRMGQEV-MRXNPFEDSA-N 410.526 1.739 30 10 HDEE CCn1cccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1=O 1502232713 DNSNFZSSIVFHRU-UHFFFAOYSA-N 404.478 1.410 30 10 HDEE COCCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1505013680 AOLQDQPQRSJEMH-MSOLQXFVSA-N 413.478 1.584 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC(C)(C)C1 1507511589 BWMOWDYNVQRYPQ-MRXNPFEDSA-N 404.559 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(O)CCN(C(C)C)CC1 1507512248 CYGUZWUDABAZEB-QGZVFWFLSA-N 402.543 1.207 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507634214 XDYWCVXLGUHTAT-KZNAEPCWSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507637748 MWZDJRAGIQLUFC-HOTGVXAUSA-N 412.556 1.502 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(-n2cccn2)c1 1507694145 JZALLXXEHAHXBC-UHFFFAOYSA-N 404.478 1.489 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(OC)C1CC1 1507764280 LGWGTIYJYYVEIO-GDIGMMSISA-N 409.556 1.696 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1507844437 JXVKDGAYSFBQPV-DLBZAZTESA-N 412.556 1.636 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1507980716 FPOHYADHMKDOAO-QGZVFWFLSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508070737 CCFAVACOWCGRDF-HOTGVXAUSA-N 418.542 1.362 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1508078996 MCBPFLYPJJFDAL-UYAOXDASSA-N 424.549 1.713 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1511644241 AQTFCFVMQSMXCP-MRXNPFEDSA-N 418.505 1.882 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCc3ccccc3NC2=O)ccc1F 1530298093 ZDLYBOMKHXVYNH-KRWDZBQOSA-N 417.462 1.973 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cccc(OCc4cccnc4)c3)C[C@H]1CS(=O)(=O)C2 1536180108 PQIOLKDDNVPKAC-RXVVDRJESA-N 411.483 1.600 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Br)cc(OC)c2)C1=O 1537712028 BHVWJHFKOKQEJG-UHFFFAOYSA-N 410.224 1.051 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1537837920 HSOMGQZJUUUMHK-DZGCQCFKSA-N 413.434 1.180 30 10 HDEE C#CCO[C@@H](C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1538699969 GZYIFELPLNHBID-AWEZNQCLSA-N 410.492 1.011 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1539021464 JFIKPZDJOSMKMD-INIZCTEOSA-N 404.474 1.634 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1539190854 UOIJLDNQROMSMI-INIZCTEOSA-N 416.526 1.869 30 10 HDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1C[C@]1(O)CCN(C)C1 1539196528 QEXJQECXSDBSEH-FQEVSTJZSA-N 401.536 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CC1 1539326445 VWUVMSXVFHBVQZ-QGZVFWFLSA-N 419.551 1.264 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N(C)C)CCSC1 1539383704 IOCMFYUCONJABM-ABSDTBQOSA-N 407.584 1.899 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@]2(O)CCSC2)n1 1539423616 AOUSAULJEAAGMC-HXUWFJFHSA-N 418.567 1.752 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCC[C@H]2OC)CC1 1539432153 YMCPDHSTVWZJSI-KNKQGSTJSA-N 417.554 1.501 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cnn(Cc2ccccc2)c1)c1cc[nH]n1 1539503597 IJEFZQFXYLAHSS-UHFFFAOYSA-N 424.461 1.597 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1539519328 FBZXOKHORQKSFO-GOSISDBHSA-N 410.547 1.831 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1)C1CC1 1540094752 RMOURNURWXXNMA-LJQANCHMSA-N 400.508 1.948 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nncn2-c2ccccc2)s1 1540830594 JIKBJMLCPTUJQB-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCOCC2)C1 1540893308 AAAWQNURVDTOSZ-AZUAARDMSA-N 412.538 1.766 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1541063821 AEHJUTULUXKCTC-LJQANCHMSA-N 421.505 1.448 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1543922371 DTFKCPFHUWCFGM-XMCHAPAWSA-N 413.457 1.918 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1546476068 SVSGXXMYTLVAIK-BBRMVZONSA-N 404.412 1.936 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 1552903132 YCVUHJLHWYBJAE-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)C(=O)C2)n1Cc1ccc(C#N)o1 1555665398 SCPLWGMSBSIWHG-AWEZNQCLSA-N 414.466 1.326 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1555693981 WHTPKPGUXRWIMX-WBVHZDCISA-N 414.466 1.374 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N(C)C 1555731212 BPDNMYVCLGQJLQ-HKUYNNGSSA-N 412.494 1.598 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1556375358 HRVKPHPYPCSJKV-DOTOQJQBSA-N 420.462 1.919 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnn(C(C)(C)C)n3)C2)C1 1557285678 XKELCNKVPPBRQH-DMAKZNTKSA-N 417.514 1.831 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)c1 1557869550 JFZHDLPSVYMKGM-FQEVSTJZSA-N 415.515 1.946 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)c1c[nH]c2cccc(C#N)c12)C1CCCC1 1570242614 OTXJSXNJURIJFP-KRWDZBQOSA-N 403.508 1.724 30 10 HDEE C#Cc1cccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 1570327660 USPSTOHKXGTMNX-SFHVURJKSA-N 400.504 1.725 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1c(C)c(C#N)nn1-c1cccnc1 1583497248 BAQCGALOSHXFNF-UHFFFAOYSA-N 414.447 1.851 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1588006918 UIRUEGJJQQWYGK-UHFFFAOYSA-N 402.543 1.359 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588049301 DVHATYVWWQZKCM-WZQKQDCOSA-N 412.581 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](CC)OC 1588124200 FUXDUJYGLZBNOB-INIZCTEOSA-N 414.535 1.736 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1588140210 USZWQLLHZXSZIW-SFHVURJKSA-N 423.542 1.575 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NCC1CC1 1588155711 VZTUFPNRCZQOGN-UHFFFAOYSA-N 400.486 1.949 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCNC(=O)C(C)C 1589530910 ZFEUCHFIOHTFPJ-BZSNNMDCSA-N 405.543 1.972 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(Cn2cc(C)cn2)CC1 1595544862 NHTHJIVIUYGVRN-GOSISDBHSA-N 413.526 1.506 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)COCCO2)C1 1595745640 UQYXMXCEBNGYNF-NQIIRXRSSA-N 416.526 1.727 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1596702789 HQPZKUKBZXCPMJ-UHFFFAOYSA-N 411.510 1.694 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(C)(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1596781368 AXCUOOOGUBPSSC-AWEZNQCLSA-N 411.510 1.435 30 10 HDEE Cc1nc(CN2CCC(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)cs1 1598566979 CUDSXYIBAXZHQP-MAUKXSAKSA-N 408.549 1.060 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C)C1=O 1609943520 RKFCUGZVHSVPTK-NRFANRHFSA-N 409.494 1.256 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCOCC2)CCOC1 1610903232 MZTUIMLRTQEHPF-YLJYHZDGSA-N 405.499 1.474 30 10 HDEE COCCOc1ccc(F)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1611292689 HXOLCFAJYCRWAQ-UHFFFAOYSA-N 407.423 1.640 30 10 HDEE C[C@@H]1C(=O)Nc2cc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)ccc2N1C 1611648769 INUZZQVGQPOQIG-CYBMUJFWSA-N 422.441 1.981 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3CCCCCCO)CC2)c1C#N 1612471166 ZUKUYRQNWVBKJP-UHFFFAOYSA-N 412.542 1.948 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(N(C)[C@H]3CCC[C@H]3C#N)c([N+](=O)[O-])c2)CC1 1612730956 KIXKRAYMSBWQQI-HOCLYGCPSA-N 407.496 1.659 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1615220677 GVBKYAKVDYWCSE-INIZCTEOSA-N 401.492 1.355 30 10 HDEE COCCCNC(=O)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1617834143 JJIPDPNMBHXQMH-KRWDZBQOSA-N 424.542 1.965 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2sc(C)cc2Br)C1=O 1618100499 PJMZDPHDVDSLPJ-UHFFFAOYSA-N 400.254 1.412 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC2CCS(=O)(=O)CC2)cn1 1618384302 HVFRFSSSNOTCAC-UHFFFAOYSA-N 417.539 1.633 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCn1cncn1 1620101809 BPFZRPVXOAZGOR-TXPKVOOTSA-N 400.487 1.424 30 10 HDEE C=CCN(C(=O)Nc1c(C(=O)OCC)nc2ccccn12)[C@H]1CCS(=O)(=O)C1 1625769451 RRJLVKJACSZCRJ-ZDUSSCGKSA-N 406.464 1.718 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1627256448 XLNDHQQHERBHHF-MRXNPFEDSA-N 408.543 1.611 30 10 HDEE COCC#CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1 1628339743 GCGPQJPYMNHTFI-UHFFFAOYSA-N 424.828 1.842 30 10 HDEE CN1C(=O)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)Cc2ccccc21 1629618905 HWAYXKAHFOWFPQ-UHFFFAOYSA-N 412.471 1.497 30 10 HDEE C[C@@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C(F)(F)F)O1 1633739375 SYYKHRUXQOCLRL-ZWNOBZJWSA-N 405.398 1.293 30 10 HDEE CN(C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1634600925 FEFHHDWWVSOLMQ-FOIQADDNSA-N 404.898 1.480 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCCCNS(=O)(=O)c1ccccc1Cl 1634724316 DVKJIDBXQYVAMD-HNNXBMFYSA-N 413.927 1.880 30 10 HDEE N#Cc1cccc(ONC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1635506748 RWPILKSZLHTJSQ-UHFFFAOYSA-N 402.428 1.994 30 10 HDEE C#CCN(C(=O)NCCN1CCCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1635689356 RANRRDFOOCRNCZ-UHFFFAOYSA-N 408.543 1.753 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1635702078 YXVOGQCRFPPDGK-GOSISDBHSA-N 410.474 1.646 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1ccccn1 1637568258 XMQRZVPGGKSPIN-QGZVFWFLSA-N 416.503 1.530 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)Cc1ccccc1 1638476246 ZMKQBRDWFOWGHB-IBGZPJMESA-N 416.503 1.353 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1640109295 VEIHYNIXJWOMBS-SJORKVTESA-N 410.467 1.563 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(CC(=O)NCCCN2CCCCCC2=O)CC1 1644197198 NOXZEJRCAFTFTR-UHFFFAOYSA-N 415.513 1.728 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1645270757 XFOIFKXYDTVJIY-GUYCJALGSA-N 415.487 1.122 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1645292814 SUBOSBPYHSHDKN-ZMSDIMECSA-N 423.535 1.188 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)c1 1648287554 OHBDSZQQKZFMRU-CQSZACIVSA-N 409.508 1.583 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1652331820 INUIKLPPFLCLFO-JKSUJKDBSA-N 403.483 1.632 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)C2)nc1 1652332212 RAAJKOICIUETED-HNNXBMFYSA-N 415.475 1.083 30 10 HDEE COC(=O)CCN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 1653786696 DZHLFCXUNNBPHK-UHFFFAOYSA-N 416.297 1.190 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(CO)C2)CC1 1654495260 DLLIVHDTEXXSFQ-RCZSKKKRSA-N 400.498 1.629 30 10 HDEE C=CCN(CCOC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1655199144 ULAPGFDWTGNYCQ-MSOLQXFVSA-N 412.508 1.487 30 10 HDEE CCOC(=O)[C@]1(F)CN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC12CCC2 1659388071 PFQYVFXMRYLVFE-DYESRHJHSA-N 408.518 1.436 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c(C)c1 1660940009 JUVOUBLKCICPII-ZDUSSCGKSA-N 402.494 1.537 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1 1666414153 ROVFLYZKXAZPIO-UHFFFAOYSA-N 409.508 1.938 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cn(C)nc2C2CCCCC2)CC1 1670212492 MILARZGFZCUZQK-UHFFFAOYSA-N 408.528 1.085 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccccc1 1670603608 ODIRVYHNRKCVBW-QGZVFWFLSA-N 400.460 1.599 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1670882685 SUOHUWIDWKTHHM-XUXIUFHCSA-N 423.457 1.028 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccc3ccccc3c2)CC1 1676345968 VJGNIKSVYSWXFU-UHFFFAOYSA-N 400.504 1.177 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(Br)c(C#N)n1 1679663688 DPTGAVFDSMJTFQ-GHMZBOCLSA-N 416.301 1.698 30 10 HDEE Cn1cnc(CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)c1 1683005360 HIPQCRLWXPEMIJ-UHFFFAOYSA-N 404.478 1.756 30 10 HDEE C[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ncnn21 1683827093 BRAXNVKHFIYTJZ-SUMWQHHRSA-N 405.466 1.855 30 10 HDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)N1CCCC1)c1ccc(Br)cc1 1686921224 GGWRJRINDUUSTR-OAHLLOKOSA-N 414.325 1.848 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]1(C)C#C 1689893167 VZSIOJVYVRLUMQ-YLJYHZDGSA-N 419.551 1.407 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1690001026 DYAWBJAMRFQWMO-CQSZACIVSA-N 420.564 1.277 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690308608 UDQUHPKOSHXCLX-UHFFFAOYSA-N 413.526 1.143 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690667993 PAJFCRQSVPKHLR-UHFFFAOYSA-N 416.445 1.177 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(C)=O)CC2)C1 1690684857 PXMCVOCORQKIEC-SFHVURJKSA-N 418.542 1.456 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)F)CCOC1 1692589601 AZZPPSFZEZEYBR-KDOFPFPSSA-N 415.441 1.677 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1705540029 LDARGWBDLDCAGL-KRWDZBQOSA-N 406.490 1.637 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705559434 AOUHPDWPWJDNKJ-OAHLLOKOSA-N 423.583 1.365 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCC(=O)NC1CC1 1705573079 YIWKIGBKUPQFRD-UHFFFAOYSA-N 405.462 1.057 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCC1 1705582950 NLDPDCCGSVTDGL-GOSISDBHSA-N 418.563 1.850 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC(=O)NCCc1ccccc1 1705584542 OKJBGXPNUUAKBO-UHFFFAOYSA-N 412.497 1.696 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705812331 WZDGTHDVNYAOSL-VXGBXAGGSA-N 411.450 1.622 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705829750 BNHWDYUUOCATND-LPHOPBHVSA-N 410.540 1.390 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCO1 1706345638 OAHDCECYHPTHAC-SFHVURJKSA-N 407.482 1.755 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1709829530 SKJDCHKOPCOICI-JOCHJYFZSA-N 421.505 1.592 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC1 1710893790 TYCLJUHCZXDOED-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1722296920 VYTVMMJTTFPUIU-DZWULXIXSA-N 400.570 1.185 30 10 HDEE C#CCCCn1c(N2CCN(CCOC)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722341532 YVTVHYABMDAYFG-DENIHFKCSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1722361736 OVZDXRHDHNPRTC-LBPRGKRZSA-N 401.414 1.473 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(SC)CCOCC2)CC1 1722437214 AORKGLOOJLQYFI-UHFFFAOYSA-N 400.552 1.941 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1OCCC1(C)C 1722466863 HIHONBIIQKLRKB-SPYBWZPUSA-N 409.556 1.696 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCCNC(C)=O)C1 1722715527 TYRDFMNSFQNNFU-HNNXBMFYSA-N 416.482 1.313 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOc2ccccc21 1723619708 AXUVDTKGAGZDJW-JKSUJKDBSA-N 410.478 1.711 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)CC1 1728631073 ODRXSCVEVNBBBK-GOSISDBHSA-N 411.558 1.749 30 10 HDEE CCOCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1728969282 NIBRJRLKWYOPIQ-ULQDDVLXSA-N 407.515 1.794 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(C)=O)CC1 1730482313 AIOLSXLAXZJJIH-QGZVFWFLSA-N 400.458 1.906 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1740535040 MZSQPPASIRLVMG-HZPDHXFCSA-N 407.515 1.938 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740628509 YLGKYQPUHPUAHW-QZTJIDSGSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1740693059 SLIFTEHNYNGRAL-PGRDOPGGSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccco2)CC1 1740697977 KYDIEGSYXQODOB-QFIPXVFZSA-N 406.490 1.520 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1740731091 OUSJLNYAWJQQGL-IFXJQAMLSA-N 419.507 1.355 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740801753 FZZIGLFKQBRJSJ-KGLIPLIRSA-N 417.963 1.772 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740847550 LSPMHKGGQYJLIY-OKZBNKHCSA-N 416.570 1.988 30 10 HDEE C=CCCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1740867149 ZLLNLKLUDVTBAY-IBGZPJMESA-N 412.556 1.910 30 10 HDEE C=CCOc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCNC(=O)C2)cc1 1740967725 OSGZKQDKPLXCEQ-UHFFFAOYSA-N 421.505 1.689 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(c2ccnn2C)CC1 1740993663 BMXZUUZMVRXVEA-UHFFFAOYSA-N 418.567 1.949 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1741131693 HCJCNVFMNBVMRW-IEBWSBKVSA-N 403.575 1.651 30 10 HDEE CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@@H](C#N)C1 1745655036 GVQWUCCALQRTJK-AWEZNQCLSA-N 403.512 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN(CC)S(C)(=O)=O 1748681634 HALRATLURFMOJF-AWEZNQCLSA-N 424.596 1.763 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1748710491 RJLFCYAWSKNQOK-KRWDZBQOSA-N 413.551 1.811 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749427528 ROZWTWKHWINBLT-KRWDZBQOSA-N 416.526 1.019 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)n1 1749488013 IGDBCPKINXMWLN-UHFFFAOYSA-N 422.541 1.836 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749663944 UNPICGKDJQNDHX-CYBMUJFWSA-N 411.432 1.648 30 10 HDEE COCCCN(C)CCn1c(Cc2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1749700694 LHFZOEVAYJVANX-FQEVSTJZSA-N 412.538 1.874 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC(C)(C#N)CC1 1749736901 RYVDIMOORPPJOX-UHFFFAOYSA-N 414.535 1.995 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@@H]2C)CC1 1749884044 FZNWZCCIWHWGLI-KRWDZBQOSA-N 423.521 1.206 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)cs1 1751780981 IXAATWAENKFXGP-LBPRGKRZSA-N 411.491 1.814 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCCc2cnn(C)n2)CC1 1760270570 ZFSMAIBQHNBUKH-UHFFFAOYSA-N 424.553 1.663 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](F)COC)CC1 1760271793 MFZGVAHXOWICAL-GOSISDBHSA-N 414.485 1.214 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CC=CCO2)CC1 1760272012 VODDTCUMNXDRAK-HXUWFJFHSA-N 420.517 1.575 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OCCC[C@H]2C1 1760451995 AKKHYSPBNOJGHY-ZWKOTPCHSA-N 403.527 1.999 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1760510472 ZRWRSDONAPHETM-UONOGXRCSA-N 422.511 1.451 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(O)CC(OCC)C2)C1 1760545403 UCKDMZNXGICCJN-VXESANQCSA-N 402.499 1.390 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1761547436 DTBFGNPBGWCXDZ-ZHRRBRCNSA-N 421.505 1.433 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCSC)CCOC1 1767472793 IMTHOPTWNVOXAI-YLJYHZDGSA-N 420.583 1.860 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C#N)o1 1767771253 FXNIMASWWNUPGN-UHFFFAOYSA-N 408.418 1.759 30 10 HDEE N#Cc1cn(CC(=O)OC[C@H]2Cc3cccc(Br)c3O2)c(=O)nc1O 1849069185 KYQBBZFKDWOIDK-LLVKDONJSA-N 406.192 1.130 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)CCN2C(=O)c3ccccc3C2=O)CC1 1849783912 BFDGOAAHGBWYLN-UHFFFAOYSA-N 403.442 1.331 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1nccnc1N1CCOCC1)c1ccc(F)cc1 1852078397 CVWGOXGSXXLZJE-UHFFFAOYSA-N 416.482 1.974 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)NCc3ccc(Br)cc3)CC2)n1 1852377412 MXGHIZVJZPLRBV-UHFFFAOYSA-N 415.295 1.549 30 10 HDEE N#Cc1cn(CCN2CCC(n3c(O)nc4cc(Cl)ccc43)CC2)c(=O)nc1O 1852432574 QGUKAGBVMPRIRE-UHFFFAOYSA-N 414.853 1.866 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1 1853143204 NAKDDUPMJRQDBA-UHFFFAOYSA-N 421.505 1.671 30 10 HDEE CC(C)C(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CCC1=O 1854366322 FRBSOUGQUPEJRI-GOSISDBHSA-N 402.539 1.882 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C[C@H]2CCC(F)(F)C2)C(=O)C12CCCC2 1854423837 FAQSOUMBJMNWQI-CYBMUJFWSA-N 403.451 1.649 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3ccc(F)cc3)c2)C(=O)C1 1854460776 JXWOGIVMUBBYAY-UHFFFAOYSA-N 417.418 1.756 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1855375235 JWJBBVKGKQHHSV-WMZOPIPTSA-N 414.506 1.861 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C1(C)C 1856105921 ARPQFYMSXHSDGY-HNNXBMFYSA-N 404.536 1.923 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1(C)C 1856371894 DEWWZRHZOIUSKT-QGZVFWFLSA-N 423.510 1.614 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN([C@@H]4CCCCC4=O)C3)CC2=O)cc1 1856560502 WWHKVBLRKTZDJS-WOJBJXKFSA-N 408.502 1.358 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn(C(F)F)c2)C1)[C@H]1CCN(C)C1=O 1857050551 LTHMWQIYQFZFMC-HIFRSBDPSA-N 409.437 1.376 30 10 HDEE Cc1ccc(OCC(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857136539 JALFUMMVRMQSHZ-IBGZPJMESA-N 406.442 1.531 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858318083 WOEZPVYHQLAENH-MRXNPFEDSA-N 405.501 1.608 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nnc(-c3ccccc3)c(O)n2)CC1 1858578754 ZRDYQAUWAQFAJE-UHFFFAOYSA-N 422.470 1.627 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1ccc(=O)n(CC)c1 1861234900 VUTIQXOXOLALRT-IBGZPJMESA-N 411.458 1.437 30 10 HDEE COc1ccccc1C1=C(Nc2ccc(C#N)cc2)C(=O)N(CCNC(C)=O)C1=O 1863429523 FSCUWSDFSZSJIO-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C=CCn1cc(OCC(=O)OC)c(=O)cc1CN1CCN(Cc2ccccc2)CC1 1870447364 MTGFCLJZRLPGLV-UHFFFAOYSA-N 411.502 1.904 30 10 HDEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873593693 HACQAVHOBQUHLE-UHFFFAOYSA-N 419.489 1.611 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)NCC#CCN(C)Cc1ccccc1 1889938679 CYJCJVCYSBGLAB-UHFFFAOYSA-N 400.500 1.964 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 1890111030 CSPFTQFZMKFSLS-UHFFFAOYSA-N 405.458 1.806 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)C1 1891855769 PAWSWKUKYVZXSP-LJQANCHMSA-N 419.503 1.049 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)N1CCC2(CC(=NO)C2)C1 1917331249 YOTALLHTYALFTA-UHFFFAOYSA-N 405.476 1.709 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)c1ccc(C#N)s1 2118169059 VVJDLWOFGMQMBW-GFCCVEGCSA-N 400.526 1.449 30 10 HDEE C#CCCN1CC[C@H](NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2139354434 QDXNMFVJWAOFPV-KRWDZBQOSA-N 417.531 1.470 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)c(F)cc2F)[C@H](C#N)C1 2162921692 PUVDAEQTYRYPOO-SNVBAGLBSA-N 402.423 1.681 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@H](CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2188399237 ZTPBRZVSIBCZNE-CABCVRRESA-N 400.541 1.965 30 10 HDEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](S(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195274500 ZOGCMBMXZJSXSO-ZUMXRPEOSA-N 405.513 1.875 30 10 HDEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217477931 ZOHPBRMLYRTMLF-HZPDHXFCSA-N 419.331 1.967 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CN(C)C(=O)[C@@H](C)S(C)(=O)=O)s1 2237642713 ZMLLXCPSODWNCK-GFCCVEGCSA-N 401.359 1.747 30 10 HDEE CO[C@@H]1CC[C@@H]1CS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2239413444 USOILNDZIGNDFB-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE C[C@@H]1COC[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N1C(=O)OC(C)(C)C 2243675129 SBDKEXYDDDWNFD-CABCVRRESA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCOCC1 2243676586 LCWAVWRRMKKNCT-UHFFFAOYSA-N 408.304 1.811 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828452 NWZLYTKZNRYQOB-QAPCUYQASA-N 410.327 1.959 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2269030074 JKEODKREEJWTTL-SNVBAGLBSA-N 407.344 1.142 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC/C=C/C(=O)O)cc2Cl)OC1(C)C 2269031916 LJXYXNMGERNDGL-AATRIKPKSA-N 407.706 1.620 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC[C@](C)(C#N)C1)NC(=O)OCc1ccccc1 2270502079 ZDIHIEBERYSEHC-QFBILLFUSA-N 423.491 1.410 30 10 HDEE Cc1ccc(S(=O)(=O)N=[S@](C)(=O)N(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2282312539 XSSHSOCJWPVMAN-VWLOTQADSA-N 402.347 1.557 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282316087 XNVIOMHVMLLIAY-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](C(N)=O)C3)cc2Cl)OC1(C)C 2282316976 KNFMXWPRFWJPMZ-VIFPVBQESA-N 420.749 1.197 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(CN)CC1 2282317676 UXPIBGKQXWFZSM-UHFFFAOYSA-N 400.375 1.763 30 10 HDEE C[C@H](CN1CCCC1)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334779 GMERYXVIACIEKG-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CCC[C@H]1CNCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337709 JCVDTVLUQVWTMS-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CCN([C@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282347427 YDQNULFQINSVSM-QWHCGFSZSA-N 401.359 1.971 30 10 HDEE C[C@@H](CCN)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494722 BKCTZHMQBCQHEY-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE C[C@H]1CN(C)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501641 ZONPLNQFEYBPGT-ZDUSSCGKSA-N 400.375 1.513 30 10 HDEE CCCSC[C@@H](C)NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282502922 RMCSKLHEAUWOON-GFCCVEGCSA-N 403.379 1.529 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCS(=O)(=O)C(C)(C)C2)OC1(C)C 2282619873 XJLMSRGHFDBJSO-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1)[S@@](C)=O 2282835727 YEBIGWIOIDCRQC-SSINHNECSA-N 405.322 1.170 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1CN 2282853371 BYFPLHFNJDFRNI-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@](C)(=O)[C@@H]2CCNC2)OC1(C)C 2282879275 RDDSZHKOYPDMCK-NDHGSNPTSA-N 420.387 1.196 30 10 HDEE C[C@@H](CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284393094 GOHSQMJMSJOXLS-NSHDSACASA-N 403.331 1.530 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284409890 OQFDAXCUPPGYPN-JTQLQIEISA-N 403.693 1.638 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N[C@@H](CCS)C(=O)O 2316832024 DTEKXQNNJBOQOB-BYPYZUCNSA-N 401.080 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](O)(C(=O)C1=CCS(=O)(=O)CC1)CS2 2339803853 XGTOTRQKYGTHIJ-KRWDZBQOSA-N 403.522 1.158 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2342045462 SUWKMSLOMMFJLY-KBPBESRZSA-N 407.469 1.834 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@H](O)c1cc(I)nn1C 2363506792 FXWQJFGPHORRNW-RNCFNFMXSA-N 402.261 1.544 30 10 HDEE CCN[C@H](C#CC(C)(C)OC)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2363516272 DZYDDWQOBHKVKD-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CCC[C@](O)(CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)NCC 2367823725 JACJZMMVKPHBTB-KXBFYZLASA-N 402.557 1.601 30 10 HDEE C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C2=C1CN(CC(=O)N1CCOCC1)C2=O 35969753 RVCVVQDLHLUYLY-HXUWFJFHSA-N 410.474 1.202 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)CC1 106070096 WDBBORKVYMQTPD-UHFFFAOYSA-N 407.474 1.394 30 10 HDEE C#CCN(Cc1nnc(C(=O)Nc2ccc(OC)cc2)s1)[C@H]1CCS(=O)(=O)C1 111048014 AAEYXRURGSBFCM-AWEZNQCLSA-N 420.516 1.421 30 10 HDEE C[C@@H](C(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1)n1cnc(C#N)n1 409729254 CQMVETODUBGPKC-NSHDSACASA-N 402.842 1.947 30 10 HDEE COC(=O)c1cc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c[nH]1 431958549 JOTSRHRFQNWLLS-UHFFFAOYSA-N 410.409 1.943 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 433497421 PQHNCYICUWXZCK-UHFFFAOYSA-N 404.448 1.179 30 10 HDEE COCc1noc(CN2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)n1 444923749 PADFUFJRODSBNA-UHFFFAOYSA-N 423.437 1.018 30 10 HDEE COCCN(C(=O)c1c(F)cc(C#N)cc1F)c1c(O)nc(=O)n(CC(C)C)c1N 445677266 WIYLTVPNZYTLRH-UHFFFAOYSA-N 421.404 1.630 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 446634412 CYTJBOLUBNBSAX-UHFFFAOYSA-N 406.508 1.767 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)n(C)n1 446938627 JJMSPUXIYAUGMM-GOSISDBHSA-N 408.510 1.496 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC1)C2 462093507 NVPIGYZZZFNRHS-OALUTQOASA-N 420.521 1.914 30 10 HDEE CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1 462399786 XEXQBAYQUFNJNW-UHFFFAOYSA-N 409.489 1.166 30 10 HDEE Cc1ccc(CN(CCO)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)o1 483209540 CAIQWHATNZGSBF-GOSISDBHSA-N 402.520 1.853 30 10 HDEE CS[C@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1N1CCCC1 484611459 BIRZGKQRXIJMPD-ROUUACIJSA-N 418.567 1.015 30 10 HDEE CCN1CCN(Cc2ccc(CNS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)CC1 489125377 BMMUAVYLKLWGEY-UHFFFAOYSA-N 413.547 1.878 30 10 HDEE Cc1c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cccc1S(N)(=O)=O 489244637 CFRWGHCKCHYHMW-KRWDZBQOSA-N 412.471 1.045 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)nc1 490773572 MAPLMJTYCJGPCN-SFHVURJKSA-N 407.499 1.817 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2=O)cc1 501195019 PHRFFIUTAWKUSH-OAHLLOKOSA-N 423.395 1.470 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 509686234 ZJSLFACIABHYGZ-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE CCc1c(C(=O)NC2(c3cccc(C#N)c3)CC2)cnc2c1c(=O)n(C)c(=O)n2C 514058261 RTRGLLCPZMZDOO-UHFFFAOYSA-N 403.442 1.485 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3nccc4c(S(N)(=O)=O)cccc34)CC2)n1 545490963 XSTXUAOHKYDLAE-UHFFFAOYSA-N 422.470 1.111 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3C[C@]3(C)NC(=O)NC3=O)cc2C1=O 553447805 FWNCINOHZDOYAU-ASSNKEHSSA-N 410.430 1.061 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)nc1 570195130 VTZUXUUZJJEFSA-FQEVSTJZSA-N 410.455 1.206 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1C#N 584387018 CVHNSYDOQDAAIP-OAHLLOKOSA-N 400.460 1.971 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCNc2nccc(C(F)(F)F)n2)c(F)c1 585708424 WBNDKQOKFNFMFF-UHFFFAOYSA-N 410.331 1.351 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)c1 587663858 CLRXFSBORAADRS-UHFFFAOYSA-N 421.501 1.796 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3ccc(OC)c(OC)c3)N2N1 588226957 YTGRQNNVWFCWBQ-LJQANCHMSA-N 408.483 1.766 30 10 HDEE N#CC1(CC(=O)NCc2cccnc2N2CCN(C(=O)CC3(C#N)CC3)CC2)CC1 590240581 IAWFAWCUYKJTGS-UHFFFAOYSA-N 406.490 1.734 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)C)cc2)c(=O)n1C[C@H]1CCCO1 603924081 MUAFZUPGZVEZGM-QGZVFWFLSA-N 411.527 1.461 30 10 HDEE CN1CCN(c2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)ccn2)CC1 609569228 MULLQRIONJYYNW-UHFFFAOYSA-N 405.506 1.499 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1Cl 679530567 JZAWIEXEBWDPPA-UHFFFAOYSA-N 401.872 1.137 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@H](C)CN2CCN(C)CC2)C1=O 730139690 ILAHKMYFMCUBFE-AEFFLSMTSA-N 417.579 1.699 30 10 HDEE CCOc1cc2c(cc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O)O[C@H](C)C2 732442974 CPCIDTVAFMHIMZ-ZIPFOMIPSA-N 414.462 1.734 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccccc1CN1CCCCC1 732443239 WKTPWMWXWLSHJN-QZQOTICOSA-N 411.506 1.998 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732648371 TZQUWCLQXKCMRP-GOSISDBHSA-N 416.547 1.982 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 732670321 XGBCQOXURBGBDH-LBPRGKRZSA-N 400.298 1.819 30 10 HDEE CCN1CCN(Cc2ccccc2CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732673819 GQLGKZMOKNJIKF-QFIPXVFZSA-N 410.566 1.706 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 734291590 VICVXFIPRBRWFH-GRDNDAEWSA-N 422.532 1.397 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc([N+](=O)[O-])c1C 734844075 TUVHQCCUSBTDIT-CQSZACIVSA-N 422.463 1.441 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)[C@@H]2CCCN2C(=O)c2ccccc2O)c1 746572376 NKQHQPCITVWYGQ-SFHVURJKSA-N 407.426 1.728 30 10 HDEE C=CCn1c(CCN2CCCCC2)nn(CN2CCN(C3CC3)C(=O)C2)c1=S 748266186 ZNRHQDPYZRKYQV-UHFFFAOYSA-N 404.584 1.893 30 10 HDEE C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 750432618 IMGZRQPVHLDYSG-CQSZACIVSA-N 415.471 1.921 30 10 HDEE C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 751734012 MOAUNUQIOXLXLL-GFCCVEGCSA-N 404.448 1.331 30 10 HDEE CNC(=O)c1cccc(CCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 752049050 GDVOGTMEWMRPLV-QGZVFWFLSA-N 400.479 1.950 30 10 HDEE Cn1cc([C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C)cn1 752736770 POSOPDXBUGHKRQ-KRWDZBQOSA-N 403.508 1.752 30 10 HDEE COc1cc(CN2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc(OC)c1 756093277 DUSUAOYNSVEGFJ-IEBWSBKVSA-N 413.522 1.660 30 10 HDEE N#CC1(CS(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCC1 759024137 BOFXYSUQNHDTAS-UHFFFAOYSA-N 417.475 1.551 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cccnc2C(N)=O)c1 763242524 AXUYNMWOMWPNNH-JCMHNJIXSA-N 401.448 1.246 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 763379719 FQVVTSJZFRHIOG-MXLIYFDZSA-N 412.446 1.430 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1=O 767530442 BJAPOXIMNRLJCP-CPUCHLNUSA-N 404.533 1.516 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCS(=O)(=O)C1 774166399 DFZMKJBFVTVWIB-SFHVURJKSA-N 407.561 1.572 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 780209108 HFEOTDZAAZJLED-RTBURBONSA-N 423.473 1.298 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796426335 UHSTUISGYAPGRA-FPDPHYFHSA-N 417.510 1.706 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H](C)n1cnc(C#N)n1 798354914 QONCKVQNIKADJI-HNNXBMFYSA-N 411.466 1.035 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](C(=O)NC)C1 800778575 LFUKZVQATHFNMP-QGZVFWFLSA-N 412.494 1.853 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 803521303 CJLMXDXIWSHDPG-SFHVURJKSA-N 415.515 1.410 30 10 HDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 809811662 FYWWWZHSXPNCHT-OAHLLOKOSA-N 421.910 1.025 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 811042464 MVKCYXWGJHMLPG-AEFFLSMTSA-N 415.494 1.403 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3cnccc3C#N)CC2)C1 813719188 MCGKBDNOMAKEFR-NVXWUHKLSA-N 400.483 1.652 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)[C@H]1CCCO1 814391632 MVACFHBZIXZSKS-IAGOWNOFSA-N 400.522 1.080 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCN(C(=O)NCCn3cnc(C#N)n3)CC[C@H]2C1 814393073 WYIAOFQCDHNZPG-GASCZTMLSA-N 403.487 1.438 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 821306422 YVCSOEAATHNVOP-DKSSEZFCSA-N 406.552 1.603 30 10 HDEE COC(=O)c1coc(-c2noc(CCC/N=C3/NS(=O)(=O)c4ccccc43)n2)c1 904948557 BNYNRWRRMQNNMC-UHFFFAOYSA-N 416.415 1.788 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCCCN2CCCC2=O)cc1 916713090 OCBJBMSEGQEFED-OQKWZONESA-N 421.523 1.633 30 10 HDEE C#CCN(C(=O)C1CCN(c2nc3ccccc3o2)CC1)[C@H]1CCS(=O)(=O)C1 918756307 QJQKVLKUPXUDRC-INIZCTEOSA-N 401.488 1.693 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)cc1 1135836160 FMSLUKKDSHWLHC-UHFFFAOYSA-N 416.547 1.551 30 10 HDEE C#CCN(C(=O)[C@@H](CC(=C)Cl)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1142046944 RJZQCADMZMKFER-UONOGXRCSA-N 404.916 1.671 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCc3ccccc3C2)c1 1143323228 YJSSEOMAUYHBKH-UHFFFAOYSA-N 410.495 1.798 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc(C#N)c(Br)c1 1162947883 CAZIMSVGPPHBTC-GFCCVEGCSA-N 409.284 1.278 30 10 HDEE C[C@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1164505520 WVULNORNWHCBQP-JOCHJYFZSA-N 405.410 1.908 30 10 HDEE C#CCCN(CCOC)C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1167808707 WKOQWIYZTVBDOL-UHFFFAOYSA-N 420.535 1.255 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1180089983 XHHHFGLVWZBYAW-XMCHAPAWSA-N 421.519 1.696 30 10 HDEE COC(=O)CCOc1ccc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1190263966 DXTWXSFYHCVDNK-UHFFFAOYSA-N 410.448 1.096 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nc(C4CC4)sc3c2)CC1 1199196586 DQEMQKFIZMWGGB-UHFFFAOYSA-N 419.532 1.791 30 10 HDEE C=CCC[C@H](CO)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1251325116 RSUZLOVJNMIVPC-CABCVRRESA-N 405.499 1.900 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CCC1 1286289109 KLCRYSRBMSTUCD-CYBMUJFWSA-N 419.507 1.431 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)C(C)(C)C 1286420408 PYOGZWQXBXECGB-JKSUJKDBSA-N 409.556 1.412 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1cccn1 1286465918 ULNWZIMNQLFREH-SFHVURJKSA-N 419.489 1.549 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCOCC2CCOCC2)CC1 1286476849 GXARELSHUZZUFB-UHFFFAOYSA-N 424.549 1.929 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1286607385 OWOZXCQLXRLVCG-OXJNMPFZSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286787251 DIYFLGBNUUCOBW-FUHWJXTLSA-N 413.526 1.277 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1286790173 OIHUFLMEYIYEKI-WMLDXEAASA-N 415.567 1.609 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1291301782 KRWNWEXJXQFSIF-OAHLLOKOSA-N 419.507 1.103 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c(N)c1 1298666238 QXXVNJZAGFDBPH-CQSZACIVSA-N 400.460 1.623 30 10 HDEE CN1CC[C@@](O)(Cn2c(CCCc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1 1298881419 FGJRXHZRVZMJHF-VXKWHMMOSA-N 412.513 1.962 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CCO1 1299157286 XPWCKSODDGMVRW-USXIJHARSA-N 414.441 1.210 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CCS(=O)(=O)CC 1300380993 LHDOMAFHEFZNKR-UHFFFAOYSA-N 404.496 1.210 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1300471462 CKIZINHVBHZEKD-UHFFFAOYSA-N 404.540 1.567 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@H]1CC(=O)N(CCOC)C1 1300570405 NIKNLBXIVNAFSE-SFHVURJKSA-N 406.490 1.298 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2OCCC2(C)C)CC1 1300681997 GGDITOWDLYYTKK-SFHVURJKSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCC2CCN(CC)CC2)CC1 1300700730 VECVYJAZTRXPKT-FQEVSTJZSA-N 400.571 1.659 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OCC)CCOC1 1301055138 FIXKXTTVHNXOSW-RHSMWYFYSA-N 420.963 1.942 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(=O)NC(C)(C)C 1301197400 SDSZYLUSGVRACZ-ZDUSSCGKSA-N 400.549 1.205 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301239870 WJQQMOSDYQUGFU-HNNXBMFYSA-N 404.515 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCn2nc(C)nc2C1 1301490951 ADMJTAYBORHVGU-UHFFFAOYSA-N 412.885 1.821 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1301967109 AQUZXPNHEGEYRB-LSDHHAIUSA-N 413.544 1.565 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1303815168 HKAIHKGMGOXWJJ-UONOGXRCSA-N 422.511 1.264 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1305113992 AYIZQLGOPYRPAG-CRAIPNDOSA-N 410.478 1.289 30 10 HDEE CCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccccc1Cl 1305589604 JZKUQAKSRRSBCX-UHFFFAOYSA-N 424.848 1.919 30 10 HDEE CCc1nnc(N(C)CCN(C)c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1306088709 GADBPQRQFSPROI-MRCUWXFGSA-N 423.521 1.940 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(F)cn1 1306199560 HTDWVKPYYPNFKY-CQSZACIVSA-N 407.457 1.800 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)cc(Cl)c2C)C1=O 1309445132 NVGHYYWDWSBJIF-CQSZACIVSA-N 400.884 1.842 30 10 HDEE C#CCCS(=O)(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1309854334 CJQBKWUBHMLCIH-HDICACEKSA-N 411.568 1.888 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)nn1 1312898371 MSLRSPVHAOOCDS-OAHLLOKOSA-N 424.383 1.745 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1315607348 AAFAWSJHGZEUAB-HNNXBMFYSA-N 403.508 1.798 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CC1=O 1316115329 HBKYEBYNMABXMC-ZACQAIPSSA-N 404.515 1.263 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCC1(O)CCOCC1 1316282882 SCEJLRKDFZNUEQ-ROUUACIJSA-N 419.526 1.674 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1358873158 FDGOHXGDVHXJQH-JXFKEZNVSA-N 424.567 1.601 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1358895049 BLVDUVZVHWMPOD-MRXNPFEDSA-N 400.527 1.697 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358947181 UTFFBJMGKSTSGR-CABCVRRESA-N 404.515 1.802 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1358970848 YYFVZOWYKSHLLP-XMSQKQJNSA-N 408.506 1.462 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1358978992 ZRNYNUZIZZRRQL-OALUTQOASA-N 408.506 1.646 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1358993965 APDAHMBWMDJZQZ-OXJNMPFZSA-N 416.503 1.144 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OC)c2ccccc2)CC1 1359035138 LZQHJSHDABRXKN-MOPGFXCFSA-N 408.506 1.372 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCSC2)CC1 1359040377 RSMSVVGBVSWRJJ-FHWLQOOXSA-N 419.595 1.901 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1359089723 NTSRKRWSYGHWHV-MJBXVCDLSA-N 412.288 1.639 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1359129136 RZIDHQFFSRWQNA-UHFFFAOYSA-N 403.483 1.734 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359133650 XANMASZXJRWKIL-SFHVURJKSA-N 418.542 1.713 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNC(=O)C2CC2)CC1 1359174526 GAXFPRAGQZYMMP-NRFANRHFSA-N 403.527 1.859 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1 1359291462 QQOJFUMGERGDFO-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)CC)C1 1359311593 DKMPOYLRPOYJOE-MHTXLSKPSA-N 418.523 1.475 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)C[C@H](C)C(=O)NC 1359330021 DJJYZHILNPOVKK-AWEZNQCLSA-N 423.514 1.503 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1359473456 CLGDFSMVYMGPDR-BZUAXINKSA-N 417.539 1.235 30 10 HDEE CC(C)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1/N=CC=CC1=O 1359980796 JKMLDEUJPCVQOT-HNENSFHCSA-N 415.498 1.019 30 10 HDEE CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1)C(=O)N(C)Cc1nnc2n1CCC2 1436117496 AWQLRMQWNLRSTO-UEXGIBASSA-N 420.517 1.999 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1437714785 MAFCJSVKOJDUMI-CQSZACIVSA-N 406.450 1.041 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)COc2cccc(Br)c2C#N)C1 1439102384 JUURMEHHJUEDQT-LLVKDONJSA-N 416.297 1.097 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-n3nnnc3C)c2)s1 1441316834 VWAQNBUGPAOZDQ-UHFFFAOYSA-N 418.504 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N3CCN(CC#N)CC3)CCC2)C1 1444348812 GCFYCKFQOHOWJU-NRFANRHFSA-N 406.527 1.586 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(O)c(OC)cc3C2)c1 1455862836 DCCLJFRWMCWZNZ-UHFFFAOYSA-N 400.456 1.511 30 10 HDEE CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H](O)C(F)F 1457864808 WMGCDAGUELHVEI-JKSUJKDBSA-N 415.462 1.480 30 10 HDEE N#Cc1ccc(CC(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)cn1 1459451578 IDFYPTUSSGJEOI-UHFFFAOYSA-N 401.444 1.260 30 10 HDEE C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN(CC(F)(F)CO)CC1 1460329697 YMFTXPPJKSWEEH-MRVPVSSYSA-N 417.325 1.954 30 10 HDEE N#Cc1ccc(CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])c1 1460357844 CFLKIQYZJXEULE-UHFFFAOYSA-N 415.475 1.619 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3CCSCC3)C2)C1 1465011167 UKZWRRWDLHRDBV-NGEICVOHSA-N 408.568 1.938 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1467702212 VNRIKFKMHLEORS-AUSJPIAWSA-N 409.483 1.612 30 10 HDEE C#C[C@H](NC(=O)NCc1nnc2c(=O)[nH]ccn12)c1ccc(Br)cc1 1470664131 WFDPOODNLXMTJF-LBPRGKRZSA-N 401.224 1.354 30 10 HDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H](CO)c1ccccc1 1471515046 PMZWIXASWCZMPJ-SFHVURJKSA-N 401.488 1.993 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1471989569 QNMCVXSEIOZMGF-HHHXNRCGSA-N 421.500 1.807 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)N[C@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 1478420787 GFMRRTORHRDRRL-KRWDZBQOSA-N 410.478 1.253 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1478463147 UHERERGKQURILR-QUCCMNQESA-N 402.495 1.647 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@H]2NCC#Cc2ccccc2)cn1 1479504456 ZWVIAEWXJYUTHJ-RBKMHILSSA-N 416.525 1.779 30 10 HDEE CCCN(CC)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1500794299 AIGUDEDVRRZFJA-NQIIRXRSSA-N 420.558 1.779 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCOC)CC1 1503761347 WPJLBHLPIFLGDE-UHFFFAOYSA-N 412.494 1.442 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2)OC 1504600463 ZILYZMOIJMYNQZ-WDSOQIARSA-N 413.478 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1507516734 MMABITYPQSDLJQ-STQMWFEESA-N 409.487 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507540832 IRUOXDIOXHTGNZ-ZFWWWQNUSA-N 422.580 1.373 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOCC1 1507797579 DQTDXPHGXOTCGE-HKUYNNGSSA-N 415.542 1.428 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1507967887 NVHXINPLRNOIJK-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1508080092 KCUBXVPWHCLAPX-OAHLLOKOSA-N 420.539 1.210 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CC#N 1508794189 LTVBXPNGGHJLTE-HNNXBMFYSA-N 412.498 1.826 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1CCC(=O)N1 1513376489 TZNAYGDGLWSOAT-FOIQADDNSA-N 401.515 1.605 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC[C@@H]21 1519530657 MSWUSJZRLCDJDC-MSOLQXFVSA-N 415.519 1.867 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)C1 1527412808 KNFFUEZRNHEPHU-QGZVFWFLSA-N 413.400 1.598 30 10 HDEE C#CCC1(C(=O)N(C)C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1530170606 AKQCPIKBTUQJNB-ROMHJBHXSA-N 400.519 1.537 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1536221348 WIWSNKRHFUPLNK-OXJNMPFZSA-N 412.531 1.379 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)c3ccc(C#N)c(Cl)n3)cn2)C[C@H](C)O1 1538507198 CHVVMNXPJSDYEM-RYUDHWBXSA-N 402.842 1.691 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539453954 DSMMDDBJFKKJLX-QGZVFWFLSA-N 419.576 1.120 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCOCCN(C)C)CC1 1539480882 FSNIWGBAZKDWMK-UHFFFAOYSA-N 402.543 1.090 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1539516855 FLGFWPOWFPANIH-SJLPKXTDSA-N 400.552 1.715 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1539728750 DHAFXTQQCMUICP-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539823892 LXVJNFIFYGRHAS-HUUCEWRRSA-N 417.963 1.990 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1539829816 GOOSSWCPJWGNAY-GOSISDBHSA-N 404.559 1.930 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC)C1 1539953262 PVNZZZXAZYAUSO-HUUCEWRRSA-N 412.560 1.207 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccc(C#N)cc3)o2)C[C@@H]1C(=O)OC 1540165867 AMFHVODARDTLOR-CALCHBBNSA-N 412.398 1.764 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCSC(C)(C)C1 1540869361 KJYVEWIHFVDFJW-UHFFFAOYSA-N 418.523 1.640 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(Cn2cccn2)CC1 1540873209 QYJBLYMBBACDGX-UHFFFAOYSA-N 420.521 1.679 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)OC 1540898131 ANTGNFSJIXPMRK-UHFFFAOYSA-N 404.290 1.634 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3cncn3C2)c1 1541080887 OSPIFCAQLFRAPV-ZLFSKHNOSA-N 401.492 1.897 30 10 HDEE CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1541765597 UEOWHZUAKFJJHU-UHFFFAOYSA-N 410.522 1.889 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1542201499 SIZBIPWFCLUPKY-OCCSQVGLSA-N 410.525 1.035 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2ccc3c(c2)COB3O)n1 1542721670 UWRUKEQEUBIOTC-UHFFFAOYSA-N 413.293 1.270 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)/C=C/c1ccc(F)cc1 1545832967 HEYQYGRMQIAZID-YPNIWSFNSA-N 411.477 1.813 30 10 HDEE C#C[C@H](NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)c1ccc(Br)cc1 1556781457 GWARVKCQOJPVKK-ZFWWWQNUSA-N 420.238 1.565 30 10 HDEE C=C(CN(C)C)C(=O)N(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1557518137 WGGOLSSWVLXNCD-KRWDZBQOSA-N 410.559 1.811 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1558110335 NWZJFAHSFWPWFS-LMMKCTJWSA-N 410.536 1.377 30 10 HDEE C[C@@H](CC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)NC(=O)C1CCCC1 1559032855 LTUPRIZPNWOPDL-AWEZNQCLSA-N 401.463 1.976 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2ncc(Br)cc2C#N)CC1 1559097598 ALEXMYIIXDASTR-ZDUSSCGKSA-N 410.316 1.379 30 10 HDEE N#CCCN(Cc1cccnc1)S(=O)(=O)c1cnn2cc(Br)cnc12 1561085538 BEZGNGNTYFTJTO-UHFFFAOYSA-N 421.280 1.991 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC[C@@H](C#N)C2)C1 1565335211 RMXNKJYXKSQDOB-LSDHHAIUSA-N 414.528 1.356 30 10 HDEE CCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c1nn[nH]n1 1566226981 IJOZEHBXEMBKHX-UWCWSIQASA-N 403.487 1.944 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nn(C)cc1Cl 1569285455 HZXLKRAVVMWMKT-AWEZNQCLSA-N 423.926 1.987 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(F)c(OC)c(F)c1OC)c1cc[nH]n1 1569285984 PIKHKLCPRAUNIP-UHFFFAOYSA-N 412.349 1.628 30 10 HDEE CNC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCC1 1584198568 IWITZVBPVQTWDA-CHWWFWEZSA-N 404.511 1.948 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCO2 1588088963 DKDSSDLCRYSFHW-QHCPKHFHSA-N 422.485 1.823 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1588139621 QFIZEHYBCJIFNS-KRWDZBQOSA-N 421.567 1.366 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2OC2CCCCC2)CC1 1588199581 UYPMPSPADLQSEV-UHFFFAOYSA-N 405.520 1.624 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1588228703 KGTNRUGDVTULGE-DLBZAZTESA-N 404.536 1.458 30 10 HDEE Cn1nnnc1C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1594601883 AEDQBCCQFOEUIR-OAHLLOKOSA-N 405.503 1.893 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2cccs2)s1 1596256417 MQNFAHCFERTQSV-UHFFFAOYSA-N 413.546 1.363 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2nc(C#N)cs2)ccc1OC 1611469634 DNYUJLLGCIFFDE-UHFFFAOYSA-N 408.505 1.984 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1618143213 ZRKKPFYFVCKOMN-UHFFFAOYSA-N 422.493 1.829 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1618933776 AJHUCSWDJBDNPR-ZFWWWQNUSA-N 405.480 1.112 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1620083845 JTOMMZQTQCIERW-JBPHNCTFSA-N 416.482 1.127 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(O)(COCCO)CC1 1620593390 NJRGEUYBQHKVIP-KRWDZBQOSA-N 405.495 1.166 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1620643301 CHBCRXOANWKEII-UKRRQHHQSA-N 404.492 1.192 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1)C(=O)OC 1622226483 TUVDMLDCFZTABS-ZDUSSCGKSA-N 418.265 1.469 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCC3)c(F)c2)CC1 1622920840 NGZGDWRWCBBSDB-UHFFFAOYSA-N 409.487 1.043 30 10 HDEE CNC(=O)[C@H]1CCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1622935693 GLBUPZXLDUDILF-KXSVDRQTSA-N 404.511 1.900 30 10 HDEE C=CCC[C@H](NC(=O)c1nc(C)n(-c2n[nH]c(C(F)(F)F)n2)n1)C(=O)OCC 1624304009 PHKJINVMKNWTPX-VIFPVBQESA-N 401.349 1.340 30 10 HDEE C[C@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1625185225 LCNRNGXVWJLITH-LSDHHAIUSA-N 401.529 1.857 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c1 1626149859 JKIUFTFSDWUQBY-KBPBESRZSA-N 402.394 1.288 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C2=CS(=O)(=O)CCC2)CC1 1628456560 RVQHTKMXQRSDEA-UHFFFAOYSA-N 402.432 1.547 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1631719953 QBAMWNADIPGJAB-XLAORIBOSA-N 419.522 1.341 30 10 HDEE C#CCC1(O)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1633140577 FITXNCKAIMRKNQ-INIZCTEOSA-N 403.866 1.922 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(c2nn[nH]n2)CC1 1635008820 XLPWJPOBAMIWII-LLVKDONJSA-N 400.867 1.046 30 10 HDEE Cc1nc([N+](=O)[O-])cn1CCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1639050259 SWUYGEWZBQPKRP-UHFFFAOYSA-N 401.379 1.394 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(I)cc1NC)C(=O)OC 1639558627 MSTCKKOVUMXSPI-ZDUSSCGKSA-N 418.231 1.807 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1641531990 XMRFGBRGTNFBDH-UHFFFAOYSA-N 421.461 1.605 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCNS(=O)(=O)c3cccnc3)CCOCC2)cc1 1643523782 JCLZORGKTFMCMX-UHFFFAOYSA-N 414.487 1.444 30 10 HDEE N#Cc1cc(F)cc(Cl)c1OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 1644070865 QXMXHBAQQHCECY-CQSZACIVSA-N 415.874 1.061 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OCC 1644563967 YIUZRJPHHIWMLE-GOSISDBHSA-N 417.487 1.932 30 10 HDEE N#C[C@@]12CN(C(=O)CSc3nccn3Cc3ccccc3)C[C@H]1CS(=O)(=O)C2 1646439632 MHSBCIKSBSVOFG-LPHOPBHVSA-N 416.528 1.420 30 10 HDEE CC(C)N1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)CC1 1649547533 PDVSNTYPLOQKRE-UHFFFAOYSA-N 411.510 1.834 30 10 HDEE CNC(=O)NC[C@@H]1CN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1654268070 XNBRQWYPTZTRQC-UONOGXRCSA-N 419.551 1.845 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@H]2CC(N)=O)n(C2CCCCC2)c1C 1654760639 BTQALPMCEJNWSW-QGZVFWFLSA-N 401.511 1.997 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1cc(C)ccc1Br)C(=O)OC 1655131753 IVNBJDRWBFQVJZ-AWEZNQCLSA-N 406.298 1.921 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@H](CO)Cc2cc(Br)ccc2F)c(C#N)c1=O 1655483736 FHJUSJFNXCRNFO-VIFPVBQESA-N 411.231 1.110 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(CC(C)C)CC3CCN(C)CC3)CC2)o1 1659898429 BVXRUGGPTAIIOK-UHFFFAOYSA-N 416.570 1.803 30 10 HDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3cnn4c3OCCC4)CC2)c1 1662835608 AHGWQTCJNGPYCE-UHFFFAOYSA-N 401.492 1.480 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 1663717203 DWAJDDBLRAYVOC-CVEARBPZSA-N 418.560 1.576 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CCCCC1 1664417767 JSDUNGOFCUPDGV-LJQANCHMSA-N 419.503 1.754 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCCS(=O)(=O)NC[C@H]3CCCCO3)cc2n1 1664849513 JSJAWFOWNDPICP-QGZVFWFLSA-N 421.523 1.832 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)[C@H](C#N)C1 1668498234 CKTOLZMUYJJFIB-RKDXNWHRSA-N 409.390 1.466 30 10 HDEE COc1ncc(NC(=O)N[C@H](C)CCNS(=O)(=O)c2ccccc2)cc1C#N 1674321889 DOFXTAWCKXIELO-CYBMUJFWSA-N 403.464 1.840 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)CC1 1675447399 WOXSYTHFHWOTAS-SFHVURJKSA-N 415.490 1.030 30 10 HDEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675945511 VYSWHFQEOITHHI-MRXNPFEDSA-N 407.474 1.693 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)cc1 1685441786 ZTTAXUUEURYCRS-UHFFFAOYSA-N 420.520 1.418 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccc(S(=O)(=O)NC)cc2)CC1 1686315514 QVQOUJLMGARMID-APWZRJJASA-N 422.551 1.408 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1689831314 IYOXYJBKCLQKLA-NTLWEQJWSA-N 406.527 1.828 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(C)ccc1OC 1690102726 TUGOMCQYASKUHR-SFHVURJKSA-N 411.506 1.875 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC(C)CC2)CC1 1690132359 OUQPJCSFWBVGJD-UHFFFAOYSA-N 424.597 1.627 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(C)(C)OC)CC1 1690148566 LCMROAPOFGBNNO-UHFFFAOYSA-N 410.522 1.655 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1690157250 BIWUBPDLIDHGGK-UHFFFAOYSA-N 424.574 1.664 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCOC2)C1 1690228074 MRRBMHJFWOYEHH-LRDDRELGSA-N 412.288 1.134 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@@H]1CC 1690306566 XOPRBEIHPIQTTA-INIZCTEOSA-N 413.478 1.981 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1690317199 UTAPLUFRTOHLNI-QGZVFWFLSA-N 418.542 1.488 30 10 HDEE C=C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1690370989 QXPIDEHZDWBWJJ-MRXNPFEDSA-N 404.540 1.864 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1690484738 CHNUGLQABQDYER-KGLIPLIRSA-N 404.558 1.016 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1)C1CC1 1690545601 VBQSUYBCMUSRHH-MRXNPFEDSA-N 415.519 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCCN(CC(F)(F)F)CC1 1690724982 AENARPGPQKVMDJ-UHFFFAOYSA-N 409.478 1.516 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1693178379 MSLGWMSEEDBPFO-UDJKBAMHSA-N 420.477 1.913 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1695051974 BIJLEBTXMRBUPK-INIZCTEOSA-N 423.521 1.648 30 10 HDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CCO1 1695143235 FRDSLOBZEOXBLO-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1696288293 UPVVXZTZYLRUEH-FOIQADDNSA-N 418.448 1.740 30 10 HDEE CN(c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1696633207 UMXLHLYOACYIOY-STGLLQLASA-N 409.450 1.092 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCCS(=O)(=O)C2)cn1 1696850764 GVTQRURONNBKDI-OAHLLOKOSA-N 403.512 1.243 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(C(C)=O)CC1 1698230654 KTRJCHLLHUOUIX-SNRMKQJTSA-N 418.542 1.856 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ncc(CC)s2)CC1 1705638645 RLZPPTCECZXDEG-INIZCTEOSA-N 413.551 1.246 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC(=C)Cl)CC1 1705645265 PJEWDGXKTIQGPA-HNNXBMFYSA-N 409.918 1.720 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705701618 HHWPVYSAZVXIGP-QUCCMNQESA-N 417.554 1.897 30 10 HDEE C=CCC(C)(C)Cn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705794194 YKBXUJZREYPJDI-QGZVFWFLSA-N 414.554 1.760 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C)C1CC1 1705855026 UOHDZPSSYTYTMB-GOEBONIOSA-N 409.556 1.812 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccn(C)n1 1705871539 NPSPKQBGENWZOF-UHFFFAOYSA-N 402.466 1.881 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1705925450 PMENTMQFHOPNHC-KURKYZTESA-N 424.567 1.921 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1711732008 CZFWELAACJXFEV-GJZGRUSLSA-N 403.508 1.984 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1722383047 MPFDWTFDQMRKFK-GOSISDBHSA-N 412.515 1.504 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCS2)CC1 1722431770 NVCJYQINFCUWRN-MRXNPFEDSA-N 411.535 1.576 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2nnc(C)s2)CC1 1722444737 NIWFFEYEJTWMBO-UHFFFAOYSA-N 401.540 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](F)COC)CC1 1722449655 WYMBPCAFVVYFEO-QGZVFWFLSA-N 414.485 1.214 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722460067 BRKGAAFPCYDSOE-IBGZPJMESA-N 423.546 1.942 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOCC1 1722505538 KJTOWRGGROIYLD-IEBWSBKVSA-N 413.526 1.485 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OCC)CC1 1722617742 LWDJVUCNYYYQFV-HNNXBMFYSA-N 411.528 1.425 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)C1 1722718271 ICDFLUWGLLLYFW-BRWVUGGUSA-N 408.524 1.654 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cnnn2C)C1 1722722717 SGFCROPNJFWULX-GOSISDBHSA-N 409.494 1.836 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCS(C)(=O)=O 1722861728 CHCNSUGIAQMGQH-ZDUSSCGKSA-N 406.468 1.884 30 10 HDEE CC(C)(C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1722971038 BJYYUINIUCMPNG-IBGZPJMESA-N 405.478 1.147 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1723075893 WAHMCTXZKGGPCD-UHFFFAOYSA-N 414.535 1.548 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)CCOC1 1723678283 UDMLOXWQINAISR-WOJBJXKFSA-N 424.521 1.339 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1728201215 BARDCABKNSFISF-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740565611 YLGAQZCSSMGFAI-LJQANCHMSA-N 407.540 1.235 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)F 1740666001 YRNVAXSHPSZKQZ-UHFFFAOYSA-N 407.421 1.803 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)cc2)CC1 1740698531 HYQAMYOQJZAYDM-UHFFFAOYSA-N 408.506 1.213 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOCC)CC1 1740742052 APLFQSGETXIRHT-UHFFFAOYSA-N 424.347 1.746 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1740772763 MIKDORPICPXLOK-QGZVFWFLSA-N 412.494 1.544 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)CC1 1740789872 MIYCZHHCKJEOCW-UHFFFAOYSA-N 413.478 1.635 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740821113 DBBDUXYAKLEHHH-ILXRZTDVSA-N 415.947 1.742 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1740899284 KEYUWQWDUMUMHL-ZDUSSCGKSA-N 413.450 1.847 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1743381126 APEXCTGIZBYQCT-BTYIYWSLSA-N 407.478 1.727 30 10 HDEE CCCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)CC1 1745772954 GKGZPVXHIXTAED-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE COC(=O)C1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1748314323 NAYBHZKOBIQKCM-FBMGVBCBSA-N 416.482 1.317 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1748821863 VUDIDFOHWYXCDY-KRWDZBQOSA-N 406.552 1.817 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1conc1COC 1748824452 BPLUVDYDKFKJOK-UHFFFAOYSA-N 405.418 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1748901223 TVMFFFYTXWPXTP-NRFANRHFSA-N 424.530 1.211 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1748929479 KCCOCEYKTKCGKM-INIZCTEOSA-N 418.519 1.705 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1748956494 FEPIOPDYONQJCU-IERDGZPVSA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C)n(C)c2=O)CC1 1748984232 NMYPRBAHGJVKHY-UHFFFAOYSA-N 403.490 1.151 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(OC)CCOC2)CC1 1749005367 VKNYIEFQWNBJRS-KKSFZXQISA-N 403.527 1.563 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749210603 JSNNQCADDBZPBD-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1749226464 QHVBNOAARGYNKL-IAGOWNOFSA-N 413.526 1.939 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749402049 IGYQKIFNOWQGJV-QGZVFWFLSA-N 402.543 1.539 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(N)=O)CC1 1749454194 DIRACDFZOUSFJU-UHFFFAOYSA-N 416.482 1.300 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1749489130 RMJFJBQMJIGTJU-OAHLLOKOSA-N 406.508 1.868 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2nc3cc(C)ccc3o2)CC1 1749671433 ALOBLGKHKVQCRR-UHFFFAOYSA-N 409.494 1.919 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2c(F)cccc2OC)CC1 1749671902 NBPAIDXNRBYGGB-UHFFFAOYSA-N 402.474 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cnn(C)c2)C1 1749696761 DHBQTKFVSRLMSX-WIYYLYMNSA-N 416.526 1.882 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC[C@H]2C)C1 1749714436 JYFFEGYIUQVXGW-QUCCMNQESA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(c2nnc3n2CCCC3)CC1 1749724290 IDOMPNKIQNXLST-UHFFFAOYSA-N 419.555 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCOc2ccccc2)CC1 1749725656 UCMQCCXTTCPTKI-UHFFFAOYSA-N 419.551 1.388 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1751652361 FVCSXPKKDNEWOR-UWJYYQICSA-N 410.478 1.373 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1760117096 MIIVRQSUUZZLPC-ZBFHGGJFSA-N 407.540 1.259 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(=O)N(C)C 1760212009 PWUIKQHNRCQPAL-QFIPXVFZSA-N 415.538 1.650 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1760233296 UKZAEPBAKYIYSV-OYHNWAKOSA-N 422.489 1.191 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ccccc2C)CC1 1760259660 FLUXUHPRYBEISW-SFHVURJKSA-N 408.506 1.372 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC(=O)NCC(F)F)CC1 1760262957 HVUZRXXBYJUEPW-UHFFFAOYSA-N 416.476 1.200 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760284479 NBDAZNWRJDXNBN-QGZVFWFLSA-N 411.535 1.186 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCCO1 1760325020 OJUGLEABOTWNBQ-SQGPQFPESA-N 403.527 1.997 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1760461586 ZQTICYPTIZGPDD-QAPCUYQASA-N 424.505 1.866 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CC1 1760783181 PLFKGNOKXRTGOH-JKSUJKDBSA-N 418.498 1.725 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1760865331 PIGVAMTWHFLEKJ-OAQYLSRUSA-N 422.493 1.621 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H](C)O1 1763489778 DGNMKVDDYTZSGL-QFBILLFUSA-N 424.505 1.679 30 10 HDEE CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764016119 UJVVCTUAYASESU-DOTOQJQBSA-N 406.556 1.547 30 10 HDEE CCn1cccc(Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1765336938 AHXSTTMRAFMBBX-IBGZPJMESA-N 420.473 1.912 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1 1765508655 QOMWWZHOIKXYJT-IEBWSBKVSA-N 401.559 1.896 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1767822690 DHOGPWYZTVGIGR-UHFFFAOYSA-N 410.526 1.618 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1768424435 PNABMVBOWHQUEA-IRXDYDNUSA-N 416.526 1.549 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C[C@@H]1O 1770621063 XBMYGKIAJACAMZ-UTKZUKDTSA-N 424.549 1.871 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1772567384 BHJWWEXTHFFTJL-IBGZPJMESA-N 407.540 1.253 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@@H](c1cc(Br)cs1)N1CCCC1 1850814408 OJQNHGQTLIJRCR-CQSZACIVSA-N 419.366 1.812 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)NCC(=O)N3CCN(c4ccccc4F)CC3)cnc21 1851261333 WILIWVBXTADYDP-UHFFFAOYSA-N 420.448 1.663 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(N3CCOCC3)nc2)CC1 1851624933 KUPVBWJTVRTQJT-UHFFFAOYSA-N 406.490 1.831 30 10 HDEE N#CCCn1nc2c(c1NC(=O)c1cccc(N3CCS(=O)(=O)CC3)c1)CCC2 1851666937 CMDXLDWXVFIPGJ-UHFFFAOYSA-N 413.503 1.773 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)c1nccnc1N1CCOCC1 1851718222 TUOUMZIXMNTNAK-GFCCVEGCSA-N 401.858 1.561 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(c2cnn(C)c2)C1 1851850723 CLZQJNUHEOXPFH-NEPJUHHUSA-N 401.858 1.407 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3ncc(C#N)cc3Br)C2)cc1=O 1852183833 IABOACSKOKPBLN-LBPRGKRZSA-N 417.267 1.665 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1cn(C[C@H]2CCOC2)nn1)c1ccccc1F 1852334463 SKGYCWPLZXRWRL-CYBMUJFWSA-N 404.471 1.975 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 1852403955 QQEKYJQDPSMKNT-CYBMUJFWSA-N 423.844 1.887 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1853044015 STJPUGPVUGNCET-UHFFFAOYSA-N 419.425 1.243 30 10 HDEE Cn1cncc1C(=O)N1CC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854865914 PRCMQRAFNXGLQX-KRWDZBQOSA-N 408.462 1.219 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@@H](F)C3CCCC3)C2)C1 1856386435 OHNJAWBLFKPJGS-XOBRGWDASA-N 400.454 1.920 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)c4cnccn4)C3)CC2)cc1 1856622239 UBJFSRNTOCROSG-KRWDZBQOSA-N 405.458 1.880 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1856999236 MWQMMOQONTXACD-RDJZCZTQSA-N 400.479 1.471 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H]4CN(C)C[C@H]43)ccc21 1857045899 IERGUQWSHWMBAW-RDTXWAMCSA-N 403.504 1.393 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](c4ccc5c(c4)OCO5)C3)C2=O)ccn1 1857109029 HCTOOPRTBMIQMF-WMZOPIPTSA-N 404.426 1.913 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)C1 1857110941 SVQPQPGIDWAIFJ-AAEUAGOBSA-N 400.332 1.434 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)c2ccccc2)C1)C1CN(c2nccnc2C#N)C1 1857386543 OCVHTMFFGMPNIV-INIZCTEOSA-N 404.474 1.548 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)NCCN3CCOCC3)c3ccccn23)cc1 1858241857 IIPRYJZXUUSYBZ-UHFFFAOYSA-N 418.457 1.520 30 10 HDEE N#Cc1cccc(NC(=O)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858394332 UKZBTWBDSYFUMZ-ZFWWWQNUSA-N 408.380 1.899 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1C[C@H](C)O 1870537183 QGSUDYKFFIVPPK-KRWDZBQOSA-N 415.490 1.691 30 10 HDEE COc1cc(/C=N/n2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc([N+](=O)[O-])c1O 1874564630 MKRDIOOAQZXMOF-TUVHXFJTSA-N 420.451 1.796 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882609106 GFBBYAGOVXYJNQ-ADKRDUOOSA-N 422.503 1.705 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1n[nH]c(CN(C)C(=O)OC(C)(C)C)n1 1986781047 KOBRLKVYGJVQBH-UHFFFAOYSA-N 410.294 1.822 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)S(=O)(=O)CCOCCC#N 2074676771 UICDTJAKAIQAEN-OAHLLOKOSA-N 412.464 1.490 30 10 HDEE N#Cc1cccc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 2118161515 CASDHYKQERXXPL-SFHVURJKSA-N 415.471 1.874 30 10 HDEE C[C@H]1[C@@H](C)N(S(=O)(=O)CC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C 2174783794 GSCVKDUOUPZLCT-LSDHHAIUSA-N 401.529 1.966 30 10 HDEE C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2192474625 VQYWZVRXALYFQV-OAHLLOKOSA-N 400.545 1.541 30 10 HDEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243423873 HIGOPIGJTYLRTH-UHFFFAOYSA-N 406.292 1.520 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247823048 KPOCATKMHYQMLH-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE C#CC1CC(NC(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)(C(=O)O)C1 2281282533 ZTMUCSVMBHOFLL-WHNLESNXSA-N 414.458 1.785 30 10 HDEE COC(=O)C1(O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281941533 FXPNFJRMEFMKKB-UHFFFAOYSA-N 401.677 1.061 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282028884 KPTKHILUDMNFCC-RYUDHWBXSA-N 401.359 1.941 30 10 HDEE COC(=O)C[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282310128 PPUWZTBEOYHTKW-LLVKDONJSA-N 403.331 1.586 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(CF)CCNC1 2282312456 WRYASXFEBPGWLJ-INIZCTEOSA-N 404.338 1.336 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315328 MJQHXGIXAZAKIA-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4[C@@H](CO)[C@@H]4C3)cc2Cl)OC1(C)C 2282316064 XFDPUUIFXSDDAE-URLYPYJESA-N 419.761 1.560 30 10 HDEE CN(C)C[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329747 QSBPNBYLGNDYJZ-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE CC1(C)CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282333508 PQUSLATVRKADTC-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CN(C)C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333590 QLUTWFGFGOEPAH-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H](CO)C3)c2)OC1(C)C 2282341634 VQQWVRWWQILVEG-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2COCCCO2)OC1(C)C 2282489196 FRAREZCSJRLMHF-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282494871 DPDRUKUQRKGOGM-QWHCGFSZSA-N 400.375 1.537 30 10 HDEE CC1(C)C[C@@H](CN)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282500107 VLQCJKAZQWJDDW-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@](C)(CO)C2CC2)OC1(C)C 2282505541 FVBOHIDSFQBUTO-QGZVFWFLSA-N 401.359 1.628 30 10 HDEE CN[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282828453 ONHPTMYKCSZRIL-ZDUSSCGKSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@H]4CCCN[C@H]43)cc2Cl)OC1(C)C 2282840383 MXLSSEWBKPWBGJ-ZWKOPEQDSA-N 418.777 1.729 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC(C3OCCO3)CC2)OC1(C)C 2282845627 WRJHHVOREUCWQZ-UHFFFAOYSA-N 423.340 1.759 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282847092 UAWOFAHGSABXCM-LBPRGKRZSA-N 400.375 1.584 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1ccc(Cl)o1 2282852502 PZFMSZIFNRLJFH-UHFFFAOYSA-N 401.681 1.444 30 10 HDEE CCC[C@]1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282866484 KLHLBUSFBPYHKG-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2284394047 SYZKBJOYSIPAQK-UHFFFAOYSA-N 403.331 1.312 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)OCC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284405631 NOFITMSBSMFVKT-UHFFFAOYSA-N 405.303 1.301 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(F)c2)CC1=O 2329012552 CGSSGGZJTATTLQ-CYBMUJFWSA-N 404.471 1.601 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccn1 2330785644 BQCUODPRMILNGO-UHFFFAOYSA-N 417.539 1.932 30 10 HDEE CC(C)(C)c1nnc(SCC(N)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2331386973 KABPJAPMKHBWBV-UHFFFAOYSA-N 420.451 1.715 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(NC(=O)OCc2ccccc2)C1 2346567530 JFDOMCKCXCYYSU-GNZRSQJKSA-N 420.487 1.021 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCC23OCCO3)n1C 2362571267 KVKIYNNBNMUKSS-CQSZACIVSA-N 405.304 1.443 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 2367795963 OMJMDPKEVYSUSF-ARFHVFGLSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367799168 YHNCHXJGCWUEAU-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOCCN1C(=O)OC(C)(C)C 2367801203 PUKQMIIAUKVOHP-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]1(C)[C@@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812856 XOQHWCYOXYGIIA-QGTPRVQTSA-N 400.541 1.435 30 10 HDEE CCOC(=O)c1ccc2nc(NC(=O)Cn3c(N)nnc3SCC#N)sc2c1 32535669 CFXYYBWZDABBBQ-UHFFFAOYSA-N 417.476 1.901 30 10 HDEE CN(C)[C@@H]1CCN(CCCN2CC3(CCN(c4ncccc4C#N)CC3)OC2=O)C1 77541926 SWLMTVMZOWLFGX-LJQANCHMSA-N 412.538 1.770 30 10 HDEE O=C(CCn1cnc2ccccc2c1=O)NCC#Cc1ccc(N2CCOC2=O)cc1 96349615 ZZGCWRMHZHAPQS-UHFFFAOYSA-N 416.437 1.911 30 10 HDEE CCN(CCC#N)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 130029053 CIMJPWBXGAGWEE-UHFFFAOYSA-N 408.217 1.914 30 10 HDEE Cc1ccc(-c2noc(CN3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)n2)cc1 409562249 PJGJKBCTHNFVMB-OAHLLOKOSA-N 406.450 1.414 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CSCc2cscn2)CC1 437137107 RAUMTJDFFZVSDJ-UHFFFAOYSA-N 422.557 1.781 30 10 HDEE COC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 467068543 FNUNVIYNINQQAQ-DYVFJYSZSA-N 416.869 1.423 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC[C@@H](C)N(C)Cc2ccccc2)CC1 473011749 VSSVRDYPJJCHNF-LJQANCHMSA-N 401.555 1.526 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cccc(Br)c2C)CC1 474042766 YANMXNMCGMTSGU-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)C1=O 476212342 ZRNLNPXVGNHCOC-CQSZACIVSA-N 407.883 1.415 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1COc2ccccc2O1 484626421 IXRZNAAJLNNJCD-ZBFHGGJFSA-N 415.471 1.571 30 10 HDEE N#Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)ccc1Cl 497642458 MRZKUYMDUXCPOM-UHFFFAOYSA-N 417.897 1.211 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2csc(C)n2)c1=O 523306141 ODNXZZBISNBQMN-UHFFFAOYSA-N 417.556 1.974 30 10 HDEE C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 524690150 FLTIYYMBRXISLE-WQANXHIZSA-N 417.531 1.845 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 534751814 LCCIRXATPCBASG-UYAOXDASSA-N 412.515 1.972 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)c(Cl)c1)C(=O)NCCN(C)C 536149245 HKVYRCSOWOFBSX-INIZCTEOSA-N 400.932 1.582 30 10 HDEE CO[C@@H]1[C@H](C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 539404283 FSFJWVTVYZXECI-FHLIZLRMSA-N 420.535 1.634 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 546926319 VWNQBKPWXCDTJF-QEEYODRMSA-N 407.536 1.919 30 10 HDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 549370031 JURFWSHLQVAEEU-NVXWUHKLSA-N 402.495 1.737 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCOC1 555489018 PGXHYOMIYPZEDO-MRXNPFEDSA-N 424.509 1.046 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 566331895 WLUVODOBLODWJS-DZGCQCFKSA-N 423.543 1.615 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCC1 582454184 PTJXXOZHSHQUER-UHFFFAOYSA-N 410.927 1.920 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cc(Br)cc3nc[nH]c23)c1C#N 589272922 UHGIVDRYBLZFPJ-UHFFFAOYSA-N 402.256 2.324 30 10 HDEE CCOc1ccc(NC(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 609641175 GQOSSIBQZHRNCW-UHFFFAOYSA-N 416.459 1.625 30 10 HDEE C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 612272871 YAPNLTUQTYNKAD-OXJNMPFZSA-N 419.503 1.730 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 619415270 BYMMJQUUQGBEMU-SFHVURJKSA-N 423.498 1.237 30 10 HDEE C=CCn1c(CCC2CCCCC2)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 669805867 CQVWBRZXUYUXAU-UHFFFAOYSA-N 410.588 1.905 30 10 HDEE CCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 727990132 NGXAMGRMQFTSKK-MPUISCFQSA-N 424.548 1.749 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CCCC2)C1=O 730145035 VGDYQSQKNWMCRG-QAYQYMSWSA-N 417.579 1.935 30 10 HDEE C#CCOc1cccc(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 731011440 QALTZPNHAAVCIA-UHFFFAOYSA-N 403.416 1.914 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CCN1C1CC1 732670088 TWTCBWRURIDTDQ-NSHDSACASA-N 415.269 1.718 30 10 HDEE C#CCN(CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 744398288 DVLDCYDXVGIWTD-INIZCTEOSA-N 421.519 1.934 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1C#N 746685761 RWESBUOIXSDIIP-UHFFFAOYSA-N 421.500 1.585 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1C#N 747497737 KDRMQDWQHDFYOD-UHFFFAOYSA-N 410.430 1.289 30 10 HDEE CCOC(=O)[C@H](CC1CC1)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 752382684 MCBGDSTUGHKRAI-IRXDYDNUSA-N 412.446 1.611 30 10 HDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@H](O)C(=O)O 757321206 QWKJUMWNAJWSAK-PMACEKPBSA-N 422.437 1.479 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)c1 759619733 CYYIQRVWIIILBN-LJQANCHMSA-N 419.547 1.315 30 10 HDEE CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 760778462 SQZFKINMGLONLM-HNNXBMFYSA-N 403.508 1.912 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 762334244 RWLLKWIWJWAZSA-MRXNPFEDSA-N 403.460 1.269 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cn2cc(Cl)ccc2n1)c1cc[nH]n1 770820450 AIDLYSUROCCTMO-UHFFFAOYSA-N 404.814 1.311 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1)c1cc[nH]n1 772659202 OLSFNPBSXVFVKV-TZMCWYRMSA-N 423.470 1.065 30 10 HDEE C#CCN(C(=O)NCCc1ccc(-n2nc(C)cc2C)cc1)[C@H]1CCS(=O)(=O)C1 774172017 UJKKSLDXHJVPOX-FQEVSTJZSA-N 414.531 1.864 30 10 HDEE COC(=O)N1CCC([C@@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 776921162 PKTXXFASRAXFNU-OAHLLOKOSA-N 400.483 1.652 30 10 HDEE Cc1c(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1S(N)(=O)=O 778826689 BLUJNKOCLSKQOK-QGZVFWFLSA-N 413.455 1.867 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 780895708 ZFQMJIDNNLSHRU-QGZVFWFLSA-N 424.542 1.690 30 10 HDEE CCOC(=O)c1cc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 780966110 XMAAJUYKBHMZRT-KRWDZBQOSA-N 402.428 1.811 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)c(C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786683526 NJPNXZJZPFUIBQ-INIZCTEOSA-N 423.560 1.806 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 786827967 PNHCADHRRGNGPF-INIZCTEOSA-N 421.910 1.561 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([C@@H](C)NC(C)=O)s2)n1 788695217 HCXJFZGHFJDTSK-CQSZACIVSA-N 424.548 1.612 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3ccccc3)[C@@H](C(C)=O)C2)n1 790106169 UUQAPTIFVJCJBZ-OAQYLSRUSA-N 407.474 1.715 30 10 HDEE C[C@@H]1[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1Cc1ccccc1 798409672 YHXBHJKGTSMNDW-VALQDXLZSA-N 411.462 1.002 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@H]2C)n1 798533659 QMTWWEMYDVLDMP-GHTZIAJQSA-N 423.517 1.864 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1Br)n1cnc(C#N)n1 802267768 ZMNAOBIDUZNGML-ZETCQYMHSA-N 418.660 1.632 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OC(=O)c2cc(C#N)cc(N(C)C)c2)C1 814572122 BBDGRQKLAHVVEH-ZBFHGGJFSA-N 401.463 1.971 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCc3nnc(C4CC4)n3C2)[C@H](C#N)C1 815754946 HMFXIAFDQIMESL-LSDHHAIUSA-N 400.483 1.689 30 10 HDEE Nn1c(NN=Cc2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccco1 1084636894 CRNMYMBYHYRFBD-UHFFFAOYSA-N 416.423 1.348 30 10 HDEE C=C(C)C[C@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OCC 1133157370 KLSYCGQZICKTHU-INIZCTEOSA-N 401.467 1.392 30 10 HDEE COc1ncc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1C#N 1134070423 CTMJFPCNIDKTOS-UHFFFAOYSA-N 420.422 1.374 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)N(C)C)cc1 1141696455 LZQQWFXCJJPUHH-KRWDZBQOSA-N 423.535 1.860 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1)C(=O)OC 1141995479 QSBBQWYEQZDYJL-SFHVURJKSA-N 402.447 1.237 30 10 HDEE CC(=O)C1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1154304219 JFBUCNROHJHZAS-QGZVFWFLSA-N 405.520 1.967 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC[C@H](C)c2cccc(OC)c2)CC1 1175515122 SFJJSFCDNWNAJP-KRWDZBQOSA-N 407.536 1.581 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NC)ccc2Br)C1 1177753982 AHQFIJPPPBORIF-LBPRGKRZSA-N 414.325 1.185 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@H](Cc2nn[nH]n2)C1 1177869640 CSGXIXGDXPURSX-LLVKDONJSA-N 405.256 1.694 30 10 HDEE C#CCN1CCC(NC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)CC1 1178207312 IAHNBRJTZWULAI-UHFFFAOYSA-N 408.524 1.096 30 10 HDEE CCn1c(=O)c(C(=O)CN(C)[C@@H]2CCC[C@H]2C#N)c(N)n(Cc2ccccc2)c1=O 1196833835 UPJRAEDIPGNIRE-DLBZAZTESA-N 409.490 1.467 30 10 HDEE C=C[C@H](COC)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1220402321 FZNQRSFORLZBKV-CQSZACIVSA-N 408.503 1.674 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 1261222293 DDNGCDJASFPXHY-KEDKVEHMSA-N 401.438 1.496 30 10 HDEE CO[C@@]1(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCS(=O)(=O)C1 1269323372 CXIAVGGFSDGCRS-IBGZPJMESA-N 405.476 1.412 30 10 HDEE Cc1cc(C(=O)NCC2(N3CCOCC3)CCN(C)CC2)nn1-c1cccc(C#N)c1 1275942628 HUSUOKQAZGPHNP-UHFFFAOYSA-N 422.533 1.579 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCNS(C)(=O)=O 1286297855 ZQWRPAHJZWNNFB-CYBMUJFWSA-N 411.478 1.544 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1286298478 KDBWOQGFYSJOEN-FVJLSDCUSA-N 416.547 1.936 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)C(=O)C1 1286335942 NYKOYHGERKLGSC-LPHOPBHVSA-N 401.511 1.617 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](COC)OC 1286402331 WFMYTZJNUMXADL-QGZVFWFLSA-N 416.503 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCOC1 1286432147 YYBCWEQDECUXMB-SIKLNZKXSA-N 408.458 1.405 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCn2ccnc2C)CC1 1286481636 IDAOCRZIKKDIKL-UHFFFAOYSA-N 424.578 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCCOC)CC1 1286492126 CMXANPOGANBOFW-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286494787 PTWJFJCLWUIAJV-YRNRMSPPSA-N 421.567 1.555 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)CC1 1286498938 GCBKCXROFVCQEP-UHFFFAOYSA-N 413.503 1.709 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C 1286581325 IJKWWASDCIIFKI-MRXNPFEDSA-N 406.556 1.981 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(C)=O 1286742008 MVOQXFMGQFWXHO-IBGZPJMESA-N 421.505 1.820 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OCc2ccccc2)C1 1286768958 IQOPWHABYBBFQL-RDJZCZTQSA-N 405.524 1.870 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)[C@H](CC)C1 1286785474 LNKJBVKJVCHWOX-MRXNPFEDSA-N 401.515 1.122 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1ccon1 1286792327 URUGUTAJBWWUQZ-UHFFFAOYSA-N 400.414 1.923 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286835170 SAWKEGCVRDLJGW-UHFFFAOYSA-N 401.540 1.737 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1288234343 VZKAUHVXHSOBMI-OAQYLSRUSA-N 410.478 1.337 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CC1 1288985886 GAOPVOWLCIDISZ-ZDUSSCGKSA-N 414.432 1.981 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1293246026 JKBZNDNHNYLJEO-NSHDSACASA-N 414.325 1.648 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1295161846 KYMHTHFMYZZZDF-IAGOWNOFSA-N 421.498 1.815 30 10 HDEE CCOCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1297517135 OKIWGOZQVOFZCA-ZPHPHTNESA-N 413.482 1.283 30 10 HDEE C#CCN(C(=O)C[C@H]1CCCCO1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299454942 SNURPRRKOAFUNF-YENHRIDLSA-N 400.519 1.822 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCS(C)(=O)=O)cc1OC 1299991742 BANZKCYXKOYBAM-CYBMUJFWSA-N 407.496 1.745 30 10 HDEE C#CCCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1300375677 ACYFEOYNHVMICB-XMSQKQJNSA-N 415.538 1.935 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300416961 MRZBFIUFCYTWPN-QFIPXVFZSA-N 421.505 1.492 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCn1cc(CO)nn1 1300440231 PXVLZTLCTVYDET-UHFFFAOYSA-N 411.466 1.206 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H](C)N1CCN(CC)CC1 1300440911 AWJAOOUVQCREHA-QGZVFWFLSA-N 411.510 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CC1 1300672911 ANBMHJUKBUZTTF-UHFFFAOYSA-N 408.549 1.594 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cc(C)nn2C)CC1 1300703431 KHFRMRBDTHMVNL-UHFFFAOYSA-N 410.551 1.479 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)N(C)C)CC1 1300972221 IWGIDDOFLARNPY-UHFFFAOYSA-N 420.558 1.704 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1301154903 BRIMHYYUWMOFNV-OAQYLSRUSA-N 400.527 1.862 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1301259119 GJWFVKUEJZNTCW-MSOLQXFVSA-N 419.526 1.377 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1)C1CC1 1301314653 ZNTDXVWIYRGFPK-MRXNPFEDSA-N 410.588 1.919 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(N)=O)CCCC2)C1 1301555349 VRAPSIOHHRXOTG-CABCVRRESA-N 402.499 1.056 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(F)CCC1 1301810071 SJFFCXCBYWRQHN-HNNXBMFYSA-N 413.519 1.829 30 10 HDEE CN(CCNC(=O)c1ccc(COc2ccc(C#N)cc2)o1)CCS(C)(=O)=O 1303238242 MZIGRGKWHJLSCS-UHFFFAOYSA-N 405.476 1.436 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12)C1CCN(C)CC1 1304000717 WVVOCSPMQHMMIE-UHFFFAOYSA-N 406.446 1.258 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3CS(=O)(=O)C[C@H]32)cc1C#N 1304358914 GGODXTUTOCETPP-SJORKVTESA-N 419.503 1.725 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NCC3(C#N)CCOCC3)c([N+](=O)[O-])c2)CC1 1307230770 YMDCGRGOGUDCLQ-UHFFFAOYSA-N 423.495 1.263 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(c2ccc(C#N)cc2)CC1 1308010958 GPLIMTMGQZYRNF-UHFFFAOYSA-N 413.503 1.275 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(c2)O[C@](C)(CC)O3)CC1 1310561555 INECMLKTPBGOII-GOSISDBHSA-N 408.480 1.201 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1316012031 MIQGSHWTSOTPMP-QZTJIDSGSA-N 413.478 1.604 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1316045137 KLPYAYNWASEULI-MRXNPFEDSA-N 419.507 1.389 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1CC[C@H](N1CCOCC1)C(F)(F)F 1316099887 OMLUGCXEGKNKMQ-HNNXBMFYSA-N 404.437 1.606 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2)NC(=O)NC1=O 1318125606 HBAIYBKOKQXHGN-GOSISDBHSA-N 418.862 1.745 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 1323594672 GCKJMIMAKASXAZ-OAQYLSRUSA-N 424.542 1.917 30 10 HDEE N#C[C@]1(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC12CCCC2 1353829837 PWHFRXGXIBTYPS-NRFANRHFSA-N 409.446 1.980 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1354752007 NVYXXXMAXVAJAE-INIZCTEOSA-N 401.488 1.414 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1358890833 WBZMBAZQLJZIRN-STQMWFEESA-N 405.471 1.114 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1nccc(C(F)(F)F)n1 1358897097 SVXVMSWPCBOEHP-ZDUSSCGKSA-N 421.427 1.910 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1CC(OC(C)(C)C)C1 1358939578 ZLIIYRIYHHVRPX-FHERZECASA-N 411.572 1.942 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(Cl)c1C 1358969704 UYAKOVYLZAHTOC-OAHLLOKOSA-N 419.938 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1358994125 FVRMZADFKFKMTO-INIZCTEOSA-N 417.922 1.740 30 10 HDEE C=CCCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1359215165 WBZHIKXJKJJIHC-UHFFFAOYSA-N 416.526 1.019 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCC2(CCOCC2)C1 1359293710 XSLRVWDKFJAZME-MRXNPFEDSA-N 407.515 1.311 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)C[C@H]1C 1359299043 SJNHLMSSASEQIS-OAHLLOKOSA-N 421.505 1.786 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1359301638 FLZZZKPBMOXEEY-MOPGFXCFSA-N 422.533 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnn(CC)c1 1359332360 VWTGKADANUOLSX-KRWDZBQOSA-N 422.555 1.626 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)N1CCOCC1 1360540859 GJRIPVBUOFPOJH-AOMKIAJQSA-N 423.521 1.239 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1cn(C)nc1C(N)=O 1436718293 ARNULZIUZKCDOO-UHFFFAOYSA-N 422.239 1.569 30 10 HDEE C#CC1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1452178194 QLPXTXRSSIXIDK-ZACQAIPSSA-N 410.536 1.528 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 1455511996 HRCATVBFIXLQJM-CRFBAAHOSA-N 405.476 1.169 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCCCN2CCO)cc1 1465259060 KKSBEPHQNWRVTQ-QGZVFWFLSA-N 410.540 1.461 30 10 HDEE N#C[C@@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C[C@H]2CC[C@H]1C2 1466626460 LJERLBOSZZPJOG-NJSLBKSFSA-N 405.476 1.682 30 10 HDEE C[C@@H](CC(=O)NCc1ccc2c(=O)cc[nH]c2c1)/N=C1/NS(=O)(=O)c2ccccc21 1467593584 BUTZZJJBUVXVMC-ZDUSSCGKSA-N 424.482 1.662 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)C(COC)COC 1475676606 JEXAUTGOXBTJSB-UHFFFAOYSA-N 404.529 1.312 30 10 HDEE C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)[C@@H]2C1 1501419215 HJTOGAJTHFGZGM-HZAYLNGKSA-N 401.551 1.757 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CSCCS2)C1 1505311603 BOVQCSOUEIQHAK-CXAGYDPISA-N 410.544 1.805 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2C[C@H]2CCC(=O)N2)cc1 1505316978 MNZHPTAFCNUJRX-CABCVRRESA-N 420.395 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507539103 RAJPJVVYBGXRAQ-GOEBONIOSA-N 423.539 1.117 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1507571887 QBEBACUJEZMMRY-UHFFFAOYSA-N 400.527 1.669 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCn1cc(CO)nn1 1507608529 MWLAJFVWSNMVAE-UHFFFAOYSA-N 404.478 1.680 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1507627317 DHHPRIPZDBYKFW-IAGOWNOFSA-N 406.483 1.556 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1507659998 KIIFLTALVOPAPV-CQSZACIVSA-N 421.473 1.678 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCC(O)CC1 1507770839 QWGCTIQXPABIIG-JOCHJYFZSA-N 414.554 1.239 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)CC1 1508243342 SCZKMHJBWQFBFI-UHFFFAOYSA-N 414.535 1.601 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(OCCOC)CCOCC1 1513924439 ZLGAKJYOAHTDAD-SFHVURJKSA-N 418.542 1.229 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1513976195 UVDLIZMUPIBWFG-GOSISDBHSA-N 423.521 1.694 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1)CC(F)(F)F 1517315911 HPZSQMJGIJATQB-CXAGYDPISA-N 413.448 1.853 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1517582545 ODFKEZIZXMGUGF-GOSISDBHSA-N 410.478 1.646 30 10 HDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C2CC2)CC1=O 1519219599 GWRRBBJTLPUBIW-QGZVFWFLSA-N 424.505 1.822 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCSC1 1519451929 ZFOAVGJNLAAZBN-NXOAAHMSSA-N 407.540 1.874 30 10 HDEE C#CCSCC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1523887052 UQSHXPGLYKXXQI-ZDUSSCGKSA-N 409.474 1.953 30 10 HDEE CC(=O)N1CCc2ccccc2[C@H]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1523978954 BRLRREUUXXCJTR-GOSISDBHSA-N 408.462 1.592 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)CC2)c(Cl)c1 1530702103 YXAXLYSZEMPZRO-OAHLLOKOSA-N 400.870 1.802 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@]2(O)CCN(C)C2)c1 1539043333 OVMXHEVGOZQEEI-HSZRJFAPSA-N 424.549 1.599 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1nncn1C 1539161413 DUMTXBBSRLMIOT-UHFFFAOYSA-N 416.283 1.962 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCCC1(C)C 1539238533 ZMDYJRROKXABGT-FCHUYYIVSA-N 400.523 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCC2CC2)nc1 1539256584 BAYVCLJGIQEWQF-UHFFFAOYSA-N 401.474 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1539368687 AYHGNURKIFXNMF-OXJNMPFZSA-N 420.535 1.757 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(C)C)CC2)CC1 1539431087 ORTOQYJVJUMSCW-INIZCTEOSA-N 408.572 1.080 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(OCC)c2)CC1 1539446069 PKHAZRQPMVQYTB-FQEVSTJZSA-N 422.533 1.626 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC[C@@H]1COCCO1 1539569286 ADOVBZRNJQHSSZ-TWFHAPMSSA-N 404.511 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539627327 IYEHARFRACKGOM-RWQQGDIJSA-N 416.526 1.900 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N2CCOCC2)CC1 1539849644 ZPFRVZYWOJPKGS-DLBZAZTESA-N 409.556 1.057 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1539888097 KZEQWKKQIWYFNC-IBGZPJMESA-N 402.543 1.349 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1540072803 NTCVNFASNUWSOM-MRXNPFEDSA-N 405.524 1.703 30 10 HDEE COc1ccc([C@H](CNC(=O)[C@]2(C#N)CCCOC2)N2CCOCC2)cc1OC 1540676967 RGXUVPIYWZTKMG-UWJYYQICSA-N 403.479 1.514 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C)C1 1540875002 YOAVFWUNFHSNHC-CQSZACIVSA-N 402.524 1.808 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1554548698 QXPGQHAUVJCVSD-CRAIPNDOSA-N 422.445 1.137 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCOC[C@@H]2C)cn1 1555568894 HCZUSOLZWGRVHU-INIZCTEOSA-N 407.478 1.933 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)C(=O)OC 1556375700 PQUVXTJCVUMZKF-IRXDYDNUSA-N 404.463 1.894 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@H](C)C(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1556983571 ANWHPLJSRDJISW-AWEZNQCLSA-N 409.508 1.847 30 10 HDEE COc1cc(N)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(C)(=O)=O 1557722483 XVSUEHGQFLLOFJ-UHFFFAOYSA-N 400.460 1.489 30 10 HDEE Cc1ccc(S(=O)(=O)C2CCN(CC(=O)N(CCC#N)CCC#N)CC2)cc1 1560119526 FSQKQZOMWTYHKQ-UHFFFAOYSA-N 402.520 1.889 30 10 HDEE CNC(=O)[C@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1570491503 VDXOTJXILSFDSR-FUHWJXTLSA-N 412.490 1.987 30 10 HDEE CNC(=O)[C@@H]1CCN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1570491504 VDXOTJXILSFDSR-SJLPKXTDSA-N 412.490 1.987 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)NCc2ccco2)s1 1584130364 NPTJWSNDJVHBRU-LBPRGKRZSA-N 411.505 1.169 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN3CCSC[C@H]23)cc1 1584314672 BOVMXNYNUSOBAB-DLBZAZTESA-N 408.549 1.188 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c(Br)cnn2C)c1 1587195579 DKCCNZCHUROVND-UHFFFAOYSA-N 410.293 1.910 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1c(F)cccc1F)C(=O)OCC 1587286321 YYBZTLADKDZJPH-GFCCVEGCSA-N 410.826 1.434 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(S(=O)(=O)CC)CC1 1587783764 XDEOBLUEKHFCIT-UHFFFAOYSA-N 421.567 1.608 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1588014053 IOJLCTUBRXCFGL-CRAIPNDOSA-N 413.478 1.625 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1588054574 OGDMVBQAGKLBIW-QMTYFTJSSA-N 412.581 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnn(C)c1 1588079279 VBJJHWACBMDNNB-UHFFFAOYSA-N 421.892 1.716 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cc1F 1588181443 UJADZRFHCFSJAP-AWEZNQCLSA-N 421.473 1.678 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589042651 JIXYMFMZRQQUBV-INIZCTEOSA-N 419.576 1.782 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)N(C)C2CC2)CC1 1594192753 KYPQTEFCHGIWKM-LSDHHAIUSA-N 410.588 1.773 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1594923025 GDCNLBPSUNLQAK-UHFFFAOYSA-N 407.496 1.278 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1OC 1595390420 ZUFYOFHDRQRKSG-XYASWCNUSA-N 402.447 1.017 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1595460958 JJVWFQVYNWVCSB-YLJYHZDGSA-N 402.499 1.527 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(SC)CC2)C1 1595674761 TWLJABVHXISIIJ-ZIAGYGMSSA-N 415.585 1.565 30 10 HDEE CN(C(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1)N1CCS(=O)(=O)CC1 1596057767 FCAOGQBOKMTDAT-UHFFFAOYSA-N 424.954 1.922 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CN(Cc3ccncc3)CCO2)cc1 1596071524 IIVWLECXDKTFQI-FGZHOGPDSA-N 405.502 1.939 30 10 HDEE CC(C)CCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1607217549 JIMPQVJQWAPELS-PBHICJAKSA-N 416.523 1.393 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 1613569189 CDGNRTKLUPVHIL-FQEVSTJZSA-N 418.542 1.868 30 10 HDEE CCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)o1 1613856828 BCWUJNUGQRNRGU-HNNXBMFYSA-N 415.498 1.832 30 10 HDEE N#C[C@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccccc1Br 1618520074 REZPQDJMSWXBTM-AWEZNQCLSA-N 405.256 1.712 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1C 1619511203 UZXBUIRYYZSKRS-NFSBEEMKSA-N 402.499 1.789 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1623699260 VDOPJSXAQBPAIU-UHFFFAOYSA-N 409.446 1.372 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2ncc(=O)c3ccccc32)CC1 1624572669 FSZUXUVHRWOQRE-FQEVSTJZSA-N 405.433 1.945 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1625387365 LLAYPEWTKORHHU-YOEHRIQHSA-N 406.280 1.478 30 10 HDEE CN(CCCC(=O)N[C@H](CC#N)C(F)(F)F)C1=NS(=O)(=O)c2ccccc21 1626359163 BBCIOVFQYBTQFK-CYBMUJFWSA-N 402.398 1.808 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(Cc4cnn(C)c4)CC3)n[nH]2)c1C 1627011974 HGBKCXBEBYKVMS-UHFFFAOYSA-N 408.510 1.768 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)N3Cc4ccc(C#N)cc4C3)cc2)[nH]1 1627600339 JZFPVBBCZAGITP-UHFFFAOYSA-N 402.410 1.909 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628903469 HMFNUWCTLVBPIV-RTBURBONSA-N 410.449 1.672 30 10 HDEE C#CC1(NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CCCC1 1631534002 AXTYHQRNMRKWDB-UHFFFAOYSA-N 404.536 1.368 30 10 HDEE CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCC1(C)C 1634325413 XDRUDMKJCJLOOF-UHFFFAOYSA-N 418.563 1.902 30 10 HDEE C[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1636288472 JEMPXUWGGJGPQO-NSHDSACASA-N 405.252 1.893 30 10 HDEE CO[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)Cc1ccccc1 1637059351 LOBKRESUXNXGNH-GOSISDBHSA-N 401.488 1.784 30 10 HDEE CC[C@](O)(CCC(F)(F)F)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1639659798 QQUWAPBFCVSGLK-HNNXBMFYSA-N 407.414 1.325 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)c[nH]1 1640062143 IMSBAWWGKJHVAI-AAEUAGOBSA-N 414.384 1.880 30 10 HDEE CCCCn1c(N)c(N(C)CC#CCN2C(=O)c3ccccc3C2=O)c(O)nc1=O 1642067918 FJWBMAYHNADNRD-UHFFFAOYSA-N 409.446 1.067 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC[C@@H]1CCOC1=O 1644090327 UPHKRVMAPFGBIR-ZBFHGGJFSA-N 421.519 1.743 30 10 HDEE N#CCc1cccc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1 1644420126 IUZOMPCLNVOSPF-INIZCTEOSA-N 400.460 1.857 30 10 HDEE COc1cc2c(cc1O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1645570444 GAWUTVTXJHHCFN-CYBMUJFWSA-N 415.471 1.524 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1646390764 AFJFFORDOQVUJQ-KRWDZBQOSA-N 423.517 1.668 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1647949371 JHQZDBTXGZZYKG-UPJWGTAASA-N 418.874 1.443 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3c3ccccc3OC(F)(F)F)C2)c(=O)nc1O 1648790492 KQVLMYPMYHIXMO-UONOGXRCSA-N 420.347 1.906 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2n[nH]c(C)n2)cc1 1649678511 IEQJLWCIGFOMLE-SFHVURJKSA-N 422.493 1.470 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN1Cc2cccc(C#N)c2C1 1654086778 MTLBXHMBIZIMEC-UHFFFAOYSA-N 419.528 1.598 30 10 HDEE C=CCCS(=O)(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1656815466 ZDRWCMXXPAVTIF-UHFFFAOYSA-N 406.552 1.448 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCO[C@@H](CS(C)(=O)=O)C2)c1 1660393284 QUEGEXLYCLLFGO-PKOBYXMFSA-N 407.536 1.684 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CCO1 1665441677 GGQYEXOOENIENL-CQSZACIVSA-N 420.413 1.413 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1666201828 ZRUHHBZHNLTQCX-PYCFMQQDSA-N 405.524 1.576 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1)C1CCOCC1 1674590051 GYFKQYHWVOMVQX-IBGZPJMESA-N 403.454 1.487 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1676180885 MITFEGZJMKECAY-CQSZACIVSA-N 415.450 1.117 30 10 HDEE CSc1ccc(CNC(=O)N[C@@H]2CCCN(CCN3CCOCC3)C2)cc1C#N 1683674004 IKRRPSOKIKVIDR-LJQANCHMSA-N 417.579 1.876 30 10 HDEE C=CCCOCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1685960611 JFPXUOZZDPHAAT-CABCVRRESA-N 407.433 1.837 30 10 HDEE C#CC1CCN(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1687571499 DCZILBSGQOXFHG-INIZCTEOSA-N 413.540 1.465 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC(C)(C)C1 1689966033 IZWQNPBICILQDE-IBGZPJMESA-N 411.506 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(CO)c1 1690034423 HUYIOYFYSLWOAK-QHCPKHFHSA-N 408.502 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(N)=O)c2)CC1 1690124861 VXWHAUVDFOCUIU-LJQANCHMSA-N 408.506 1.075 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC 1690205886 APQMAPWJTQSOJV-MBOZVWFJSA-N 407.584 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1690245464 IRONZOTVOQLHDF-BXWFABGCSA-N 419.526 1.234 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690255208 ONTVNJDMLUUQQE-VYIWNADRSA-N 420.510 1.471 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(C)(C)C 1690255899 XWLSZGOLQVNCBM-IEBWSBKVSA-N 418.586 1.815 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(C)(C)C 1690255901 XWLSZGOLQVNCBM-PKOBYXMFSA-N 418.586 1.815 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1690342239 GKBDODPGJMMOPP-CVEARBPZSA-N 419.917 1.700 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1690419793 BLMXJVWGOGBQOP-HNNXBMFYSA-N 400.545 1.839 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(=O)NC 1690607556 PPYYXZPAWZUCCH-INIZCTEOSA-N 414.510 1.830 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2OC)C1 1690669292 ADYZIURHFVYDLL-DOTOQJQBSA-N 424.505 1.534 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(CC(=O)NC)CC1 1690715255 HBYDBTDXBCUTBG-HNNXBMFYSA-N 411.572 1.745 30 10 HDEE C[C@@H]1C[C@@H](C)CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1693566847 DEAZDESYRZFJKJ-LMMKCTJWSA-N 412.542 1.775 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCSCCCO)CCO1 1698493430 LUMKPWHTDIFTGU-QGZVFWFLSA-N 405.499 1.852 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1 1705533792 ZXLWPFUQEYISPQ-DLBZAZTESA-N 410.540 1.083 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CC1CCC1 1705534404 HNXHHNJUDUHPKD-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705550496 LATPTQAOBSMHCM-UHFFFAOYSA-N 413.507 1.047 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705658533 SIRWGPZZQABKPJ-INIZCTEOSA-N 411.491 1.976 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705660175 OPJFBNZNJAASJG-QGZVFWFLSA-N 414.535 1.543 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C3CC3)CC2)C1 1705914906 GGXCWCXYGPLIKP-GDBMZVCRSA-N 409.556 1.860 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1706061902 ADQOPATWQFWNKB-HNNXBMFYSA-N 423.525 1.134 30 10 HDEE CS(=O)(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1712698152 AXJWPPJPBUFIRK-MRXNPFEDSA-N 423.470 1.160 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1722285292 VDQLVFLSEDXQLF-UYAOXDASSA-N 424.549 1.775 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1722360186 DTMZANVBAJMEAO-GOSISDBHSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)C(C)C 1722376975 KHCFPBWSDBWYLP-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCCOC 1722382313 HEVGKWUFDOSEED-UHFFFAOYSA-N 407.522 1.952 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cccc(F)c2F)CC1 1722437044 OWCDGZNXZZOGQD-KRWDZBQOSA-N 414.460 1.505 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722503376 CQWFZEDPZVTMJD-INMHGKMJSA-N 405.524 1.878 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722525399 FODLXAKQOQJQAL-QGZVFWFLSA-N 404.540 1.606 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)CC1 1723541644 CVKCQBUMONFRSI-QGZVFWFLSA-N 415.542 1.204 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC(F)(F)C1 1723933984 ICQJTAKHXNCRNY-HUBLWGQQSA-N 420.461 1.766 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1726775430 HJSMLBZFNOUQGZ-VLIAUNLRSA-N 409.450 1.746 30 10 HDEE CCOC1CC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1728912663 AXLYHAIDWHRKKX-OOHWJJMZSA-N 424.571 1.833 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1729163596 XORDUDCFQKQWEC-NRFANRHFSA-N 410.478 1.624 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)c1 1730022568 GHUBQBHWYJFCMB-MRXNPFEDSA-N 423.420 1.973 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1730684644 WOGHUCUVELXCMD-UHFFFAOYSA-N 408.466 1.501 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1 1730924239 UBBHXAOFPHMNRF-HNNXBMFYSA-N 401.423 1.066 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](c1ccco1)N(C)C 1740630408 CBVVYSHOXXZTKP-PGRDOPGGSA-N 411.506 1.899 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740747675 RMLSGAWAVZXCPB-CHWSQXEVSA-N 423.315 1.024 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1740795291 RLXOCUJQWWYSIE-QGZVFWFLSA-N 411.572 1.303 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740837993 CECOVNCYCCRFQY-CVEARBPZSA-N 402.499 1.563 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCS(=O)(=O)C1 1740900885 AZWFDJOWCCYTFR-LJQANCHMSA-N 406.508 1.049 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1 1740932175 IOAKGCPZVHSJKV-INIZCTEOSA-N 421.567 1.665 30 10 HDEE C=CCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949820 UBBMWVSYFGTKBR-LRAJWGHMSA-N 416.526 1.951 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cs1 1742561757 MMBDCYCLDUPDQO-GFCCVEGCSA-N 413.511 1.525 30 10 HDEE CCN1CCCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1746422468 BHFPNEOUBFMINY-SFHVURJKSA-N 423.521 1.539 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2[C@@H]2C[C@H]2CF)c1 1748692393 GMBWAILWANYDII-BHYGNILZSA-N 410.453 1.816 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(COC)c1)[C@H]1CCS(=O)(=O)C1 1748814179 AISIAOOWPBMGTL-IBGZPJMESA-N 414.531 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCCO[C@@H](C)C1 1748855913 LSWHLVIKHFXRGI-NRFANRHFSA-N 423.565 1.713 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1748859649 XRBHHDDCGGFXHH-CALCHBBNSA-N 424.509 1.413 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(NC(C)=O)nc2)CC1 1748984761 ZZNGAJTYJDDRMS-UHFFFAOYSA-N 416.489 1.497 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCCC2)CCO1 1750386402 GJNHWAIVCMTFGU-QGZVFWFLSA-N 401.515 1.119 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCN2CCCS2(=O)=O)o1 1751480568 DFTKXXQXDMQWJY-UHFFFAOYSA-N 404.496 1.622 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1760119689 CNGBZSBUWCGNDC-INIZCTEOSA-N 421.505 1.741 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760137912 YZQZLQCIOQERSR-HNAYVOBHSA-N 405.524 1.048 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1760187051 SZPHWMKGCLUJEZ-HOTGVXAUSA-N 416.503 1.307 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2OCCC2(C)C)CC1 1760264673 BLRGWJSNYAHWIC-FHWLQOOXSA-N 417.554 1.572 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCN(C)C2)CC1 1760396827 JEMARVCBPBFSHK-YADHBBJMSA-N 419.570 1.788 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1760412065 HPAJRBDYYVDRLR-JKSUJKDBSA-N 412.556 1.634 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1760454192 ZUNPISGFPYKKIT-UHFFFAOYSA-N 405.524 1.631 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1760504167 WEBNRPFXRJBIAO-KRWDZBQOSA-N 418.542 1.661 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCOC2)C1 1760526820 UOBTZDLZLZUUMN-QFIPXVFZSA-N 422.489 1.648 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1760543366 RVGQKDNXERXXKJ-WBVHZDCISA-N 409.556 1.608 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)C[C@H]1CCCOC1 1760552273 IYHGYTKYZFTYNA-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE CCCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1764205738 YGPHBPDOCUPRGU-YJBOKZPZSA-N 413.519 1.829 30 10 HDEE CN(C[C@@H]1CCCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)C1)S(C)(=O)=O 1768791556 KAYJTLJZZDEJBG-AWEZNQCLSA-N 418.523 1.776 30 10 HDEE COCc1c(C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)nnn1-c1ccccc1F 1851416148 WGISMMXVEQYHSL-AWEZNQCLSA-N 424.392 1.797 30 10 HDEE COc1nc(=NC(=O)[C@@H]2CC(=O)N(Cc3cc(F)cc(F)c3)C2)c(C#N)c(C)[nH]1 1851588462 RZLCDVMMOHLOQL-GFCCVEGCSA-N 401.373 1.353 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)nc1C 1852091021 AOZPFKCZECVWMX-UHFFFAOYSA-N 404.492 1.631 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCCN(C2CCS(=O)(=O)CC2)CC1 1853220119 IYGXOMIIOIPNTO-UHFFFAOYSA-N 402.520 1.556 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC[C@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855718677 YXOKVIXNVRCWIQ-GDBMZVCRSA-N 405.476 1.265 30 10 HDEE C[C@H]1C(=O)N(C(=O)C[C@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855740117 OJYNIXNRNSVDBS-GOEBONIOSA-N 405.476 1.265 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(Cc3nccn3CC)c3ccccc32)CC1=O 1855777375 ZBTDARNABPHEHP-INIZCTEOSA-N 407.474 1.817 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(CCOc3ccc(C)nn3)CC2)CC1=O 1856073705 DVDJDIYAABJMJY-GOSISDBHSA-N 401.511 1.123 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)CC1 1856155880 VPRKNQZDRTYDJT-MOPGFXCFSA-N 412.490 1.864 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)C1(C)C 1856402173 GZOLVFMEBJCNEN-OAHLLOKOSA-N 415.490 1.692 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)[C@H]4CCCCO4)C3=O)CC2)c1 1857020108 FGPFJLLTSNHLBV-RTBURBONSA-N 412.490 1.741 30 10 HDEE N#Cc1cccc(C(=O)Nc2cc(C(=O)N3CCN(c4ncccn4)CC3)ccn2)c1 1860541035 FZJZJGWJWVKSKY-UHFFFAOYSA-N 413.441 1.958 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1nc(C(F)(F)F)n2ccccc12 1867289457 ZZDSMGFTZGFBNU-ZDUSSCGKSA-N 417.347 1.954 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(Cn3cncn3)C2)[C@@H]1c1ccc(C#N)cc1 1892114948 QUFILUFAJNUDDV-PMACEKPBSA-N 424.530 1.702 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2054409094 YNTQFCUHMLXOSK-KZNAEPCWSA-N 409.508 1.785 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)C1 2118172838 YRWAELMOGHEPEN-KRWDZBQOSA-N 424.498 1.807 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174783171 YVJFRAYDOAUVQT-OAHLLOKOSA-N 401.529 1.825 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180095692 VPAHVHBSFPLOCE-GJZGRUSLSA-N 400.541 1.965 30 10 HDEE CCC1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2182942021 CLGZRJJZDHDYHH-CQSZACIVSA-N 401.529 1.857 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@@H](C(=O)O)C(C)(C)S)=NO2)C1 2195307748 ZRJQARDQWPDAFP-GTNSWQLSSA-N 401.485 1.420 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C[C@@H](F)C1 2234662111 LJIYHKNPHXVRSZ-KGLIPLIRSA-N 405.492 1.574 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NN2CCN(C(=O)OC(C)(C)C)CC2)C1 2243271794 SPHMNPCEJGDLEB-UHFFFAOYSA-N 422.526 1.877 30 10 HDEE C[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247823054 KTGLIDCJMXYLGE-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)CO1 2247858569 ORZRSPLRRLDNPB-CYBMUJFWSA-N 419.287 1.662 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247916102 PUGRWVAXZOQISK-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE C[C@H](NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2247916611 AWOWCZCUKRIZAL-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2266992728 VCMSUAHTHOASRK-UHFFFAOYSA-N 406.313 1.812 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269030756 OCGFGHWJRJXZFM-VIFPVBQESA-N 409.722 1.842 30 10 HDEE C#CCCN(CC(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270532275 VZBUJVJAOARMTQ-GOSISDBHSA-N 424.519 1.766 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281994060 KETIUPQBHDLGAK-JTQLQIEISA-N 402.709 1.197 30 10 HDEE CSCC[C@@H](O)CCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282030979 MSLLOFMGQDHCID-LBPRGKRZSA-N 400.375 1.985 30 10 HDEE CS[C@H]1COC[C@H]1NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282047170 VLUGJARAXJTHJV-ZJUUUORDSA-N 401.725 1.233 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC(C)(C)[C@H]1O 2282300512 HFOMQQMOFXTHLF-RISCZKNCSA-N 401.359 1.793 30 10 HDEE Cc1nc(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2282307770 ICRULUPBFGMYKK-UHFFFAOYSA-N 418.737 1.606 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](O)[C@H]1C 2282312988 DXPZZDPKZWJAFI-YPMHNXCESA-N 401.359 1.890 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@](C)(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322326 KCDCJIODTFUKEG-SJKOYZFVSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H]3[C@@H](C2=O)C3(F)F)OC1(C)C 2282331588 PFUMIYZSATVHKV-SCZZXKLOSA-N 405.253 1.460 30 10 HDEE CCN([C@H]1CCC[C@@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335302 NUFZDPBPWZIPJB-KBPBESRZSA-N 401.359 1.971 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCCS1 2282338131 LSRWKCJJKPYVLZ-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE CN(C)C(=O)OCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282341820 YASXCVFSIJFDQF-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2(C)CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282407873 DLZOEFPJYXUSAN-UHFFFAOYSA-N 400.375 1.634 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@H](O)C3)ccc2Cl)OC1(C)C 2282421239 LGRDOLVTVBDLMN-HAQNSBGRSA-N 401.721 1.688 30 10 HDEE CCCN1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282493603 URYUXUIGRXCLRH-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1O 2282497936 WXFTWVYQLUBZEO-OLZOCXBDSA-N 401.359 1.626 30 10 HDEE CC[C@@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282503573 BYAIZVNWHDTOEQ-LLVKDONJSA-N 402.347 1.206 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282610823 BXDCBYNXKRFCIY-WDEREUQCSA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@H](O)C3)c(Cl)c2)OC1(C)C 2282824875 FHTXKSKDPCJJJQ-BJHJDKERSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C(F)(F)C23CC3)OC1(C)C 2282846964 RGYXMTJZSXUISG-LLVKDONJSA-N 406.285 1.659 30 10 HDEE CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282860076 VIEFZLVWHUOBLD-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CN(C[C@H]1OCC[C@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866025 CCVIBEMRYBNQCR-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE CC(C)N(C[C@@H](C)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282873615 NUZZPLSTBSSLRD-CYBMUJFWSA-N 403.375 1.968 30 10 HDEE CC1(C)COC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881725 BIGSYYSPCKTPIV-CYBMUJFWSA-N 401.359 1.892 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400515 WQKDRMXBMMFHFL-MRXNPFEDSA-N 403.331 1.825 30 10 HDEE CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284406212 VKQIWYSKHHPMJR-NSHDSACASA-N 403.331 1.921 30 10 HDEE CCCN(CCC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410295 SIYFZBJVQJQEGV-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE CCOC(=O)C1=C(C)NC(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C1=O 2294034658 RONQBXCJCBDLKN-UHFFFAOYSA-N 423.425 1.885 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN1Cc1ccccc1 2300226348 DASRBFDVDAADEP-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CC1(C)OB(c2ccc(CN3CCNS3(=O)=O)cc2Br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c1ccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)cc1 47231357 QXYGRWPDSYUHMI-UHFFFAOYSA-N 415.519 1.708 30 10 HDEE C=CCC(O)(CC=C)CNC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)c(F)c1 55089447 XTJOFQKDDQBLAI-SFHVURJKSA-N 407.461 1.655 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CC2CC2)C(=O)c2ccc(F)cc2)C1 169679723 CVGYUZNEGPYTQI-NHCUHLMSSA-N 406.498 1.942 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 409477102 VJUXINRRQZBIQJ-DLBZAZTESA-N 418.922 1.921 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](C(=O)C3CC3)C2)cc1 429974344 PKFPVEOTSRXLLF-QGZVFWFLSA-N 407.492 1.705 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(Cc2ccc(C#N)cc2)C2CC2)c1 442430950 NJKGAVMURLHBIG-UHFFFAOYSA-N 412.471 1.596 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)cc1 444563979 WLSMMWBWCRTQCP-UZLBHIALSA-N 424.519 1.628 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)o2)c(=O)n1C[C@@H]1CCCO1 471185580 CKRPNSFGPKLVPK-INIZCTEOSA-N 415.515 1.273 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCN(c2ccccn2)CC1 480790841 ZDEOLASSEQRVTF-OAHLLOKOSA-N 413.503 1.405 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)c(F)c1 481064391 WVVUEUSZOGWJLO-KRWDZBQOSA-N 417.462 1.797 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 487859580 SFHBWWWOQJIIPT-UWVGGRQHSA-N 411.256 1.899 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1C#N 489117269 YRSMNRAJXBOAMJ-UHFFFAOYSA-N 402.451 1.984 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 503051508 HPUFJEHNEIEBSW-HXUWFJFHSA-N 418.498 1.881 30 10 HDEE CN(C)c1ncccc1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505366432 MKZWYNSAWWBROX-KRWDZBQOSA-N 406.446 1.541 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)c1 514648786 WNEHNXQNZQLLHG-KRWDZBQOSA-N 411.527 1.425 30 10 HDEE CN(C)C[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 516516382 QSMQZQYJZBPCEE-GOSISDBHSA-N 400.504 1.126 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CCN1S(C)(=O)=O 537328436 DAVPMCGJQQIOQN-AWEZNQCLSA-N 400.460 1.851 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3nn(C(C)C)cc3C#N)nn2)cc1 540304567 OTEPNUBYCBHJLS-UHFFFAOYSA-N 408.422 1.180 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)CC1 540553119 LQUOWWHETUFKPZ-SJLPKXTDSA-N 414.403 1.534 30 10 HDEE N#CC1(CS(=O)(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CCCC1 546778382 YPFXGCBSGKMYPO-HNNXBMFYSA-N 417.487 1.397 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 550240534 PCRXKZQEBQHGAH-WDSOQIARSA-N 412.490 1.732 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC)CC1 555082592 ZJWPVCLJFLBWHX-UHFFFAOYSA-N 412.538 1.918 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3nccs3)C(F)(F)F)CC2)o1 575141874 HHEFROHQLXLLED-ZDUSSCGKSA-N 414.413 1.853 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 581208932 ZOCCWWOOURBZQW-CABCVRRESA-N 421.441 1.900 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(C(=O)NC3CC3)c2)CC1 582087360 GVUNNRQAMIOFPZ-UHFFFAOYSA-N 419.913 1.684 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)c(F)c1 586862538 ZSTFNOZHAPKWDJ-UHFFFAOYSA-N 400.454 1.565 30 10 HDEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 603444555 HATQGULNKNWERF-IUODEOHRSA-N 415.391 1.785 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)N[C@H](C)c2ccccc2)CC1 604197399 OINQPMIOTNOXTJ-GOSISDBHSA-N 401.555 1.745 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)CC1 605409705 RAZDOZHLPVFJIF-ROUUACIJSA-N 415.538 1.752 30 10 HDEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(Cc4ccc(C(=O)O)cc4)C3=O)CC2)n1 612841286 BGTQDABWOCDLKX-SFHVURJKSA-N 419.441 1.101 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccncc3)C(=O)OCC)cc2C1=O 616168438 FVNMZROYMYUVER-SFHVURJKSA-N 407.426 1.768 30 10 HDEE CCc1ncnc(CC)c1C(=O)NCC#CCNC(=O)c1c(CC)ncnc1CC 645972107 CCTKNRZOFRCWDK-UHFFFAOYSA-N 408.506 1.679 30 10 HDEE O=C(O)C#CCNC(=O)NCC1(N(Cc2ccccc2)Cc2ccccc2)COC1 717563263 IMBVHWWKPVBETB-UHFFFAOYSA-N 407.470 1.845 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@@H]1CCCO1 726575089 PUHXPQFRIJHCFA-JSGCOSHPSA-N 417.556 1.972 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)c1 731885805 WNPQTPWKWWUSAO-IBGZPJMESA-N 411.483 1.476 30 10 HDEE C=CCOc1ccc(C(=O)NS(=O)(=O)N2CCC[C@H]2C(=O)OCC)cc1OC 735775518 PJDCYNFKHWUQTP-AWEZNQCLSA-N 412.464 1.262 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCCn3nc4ccccn4c3=O)cc2C1=O 737342301 TZMQUTIUDYLOND-UHFFFAOYSA-N 406.398 1.525 30 10 HDEE CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 743909185 SRLUYIDBUJKTIV-CYBMUJFWSA-N 404.492 1.624 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(F)F)C1=O 751922764 FNRSYGUQZCUJKI-CQSZACIVSA-N 409.462 1.823 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 756643993 CTBAHZHCLSOIQD-GUTXKFCHSA-N 416.927 1.805 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 756654260 JVCYFKMCMTVEHG-KGLIPLIRSA-N 402.900 1.464 30 10 HDEE CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 760778464 SQZFKINMGLONLM-OAHLLOKOSA-N 403.508 1.912 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)c1 763437591 ZCSSOHRZCPVIFU-UHFFFAOYSA-N 404.495 1.078 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)cc1 765963977 CAEDNYVMKQUEON-UHFFFAOYSA-N 409.471 1.356 30 10 HDEE N#Cc1cccc(OCC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 767147284 CVWSXCFSMNRYFB-PMACEKPBSA-N 404.470 1.652 30 10 HDEE COc1nc(O)cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2OC)n1 770510552 BFDCIVOJEHAVLG-GFCCVEGCSA-N 400.391 1.692 30 10 HDEE C#CCN(C(=O)NCCCN(C(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 774193654 PEGBSQRLRQMRDL-INIZCTEOSA-N 415.556 1.854 30 10 HDEE Cc1cc(Br)c(O)c(C=NNC(=S)NCCCN2CCOCC2)c1 781578218 IMASTESUNGOLCA-UHFFFAOYSA-N 415.357 1.983 30 10 HDEE N#Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCCn1ccnn1 784126470 YBYYTFRDSIWVED-QGZVFWFLSA-N 423.502 1.840 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 788107393 RMAIZTDYNYWCLX-GOEBONIOSA-N 417.514 1.299 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H](C)N2CCc3sccc3C2)cc1C#N 789725699 VJNWDCSVVFWHKC-AWEZNQCLSA-N 412.515 1.808 30 10 HDEE COc1ccc(NC(=O)COC(=O)c2ccnc(C#N)c2)cc1S(=O)(=O)N(C)C 795965675 AWBUGZPPOSGBLR-UHFFFAOYSA-N 418.431 1.008 30 10 HDEE Cc1cc(C(=O)COC(=O)c2ccnc(C#N)c2)c(C)n1[C@@H]1CCS(=O)(=O)C1 795966755 OAAMQJVKAREGSS-MRXNPFEDSA-N 401.444 1.771 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)c1 796551140 SODAHDUDBKDMOH-QZTJIDSGSA-N 421.519 1.702 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cc(Cl)ccc1N1CCOCC1 799014794 JTFNVHVUVMYJGF-VXPUYCOJSA-N 418.881 1.709 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN(C)[C@H]2CCCC[C@H]2C(F)(F)F)c1=O 812298641 PLSHFXOLCNKHSZ-KGLIPLIRSA-N 402.417 1.554 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)c1 1084025737 BSYUEYBJBNEBRP-UHFFFAOYSA-N 404.481 1.634 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)C[C@H]1CS(=O)(=O)C2 1134428813 BWFPHPTVQNHNDQ-LAUBAEHRSA-N 409.467 1.949 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 1138294634 JXWHMFZMOXBXAT-DYESRHJHSA-N 421.515 1.960 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1140627470 WNZYYBJGZGMNKA-AWEZNQCLSA-N 404.529 1.244 30 10 HDEE Cn1ccnc1C1(O)CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1175696699 IEWSKDWBIUZWSL-CHWWFWEZSA-N 415.494 1.237 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1175916498 ABAYCOKVUHEDQT-OAHLLOKOSA-N 403.483 1.853 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1190266049 ZVDVCSYUXYHZBM-NSHDSACASA-N 416.443 1.133 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2ccsc2C#N)CC1 1196082650 AWKIFBZGMRJGPB-BOPFTXTBSA-N 406.533 1.722 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 1211848508 CUPLMBRMUZNLKE-ZIAGYGMSSA-N 419.322 1.661 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)Cn3ncc(=O)c4ccccc43)c2C#N)C1 1280417596 LOWOUBHYLGKZIU-UHFFFAOYSA-N 407.455 1.873 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286391258 CAEOLQJMDNDIBV-ZWKOTPCHSA-N 407.584 1.732 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1286391922 JVNQYPXDXDUFHV-QZTJIDSGSA-N 406.552 1.817 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N(C)CC)CC1 1286484362 MNHWTRCAXCYWDY-UHFFFAOYSA-N 414.485 1.230 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286505716 ADZSTVDBCYJADJ-CVEARBPZSA-N 414.597 1.798 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCCN(c2nc(C)ns2)CC1 1286595612 GRWYSFCTGNXUNG-UHFFFAOYSA-N 416.555 1.853 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cn1 1293778016 WQUYIUDYTLWSOI-KRWDZBQOSA-N 415.494 1.292 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cn1 1300207943 BYDCQVJNDQQZHQ-DZGCQCFKSA-N 404.496 1.228 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1300400545 HZPXJMCNKKPDGW-MRXNPFEDSA-N 405.524 1.717 30 10 HDEE C#CCCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300425783 XHHXKSNFBULGEH-UWJYYQICSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1300465532 OKKVOEKFVVDJGG-OAHLLOKOSA-N 409.537 1.099 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCN1CCCS1(=O)=O 1300521817 UMDFPAGOUKYNEW-UHFFFAOYSA-N 411.531 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CSCCS1 1300527122 BTAUPWNAGATZFS-AWEZNQCLSA-N 415.544 1.927 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1ccc(OC)c(OC)c1 1300531648 DSSGFZRUOVDUJQ-SFHVURJKSA-N 421.501 1.952 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1300664482 RDHQDPKSOHNJQV-INIZCTEOSA-N 423.521 1.228 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)C1 1300889261 BMAGQQVVBWBZDA-KBXCAEBGSA-N 402.524 1.551 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1300988299 AQLWMSCQZUZGKS-KRWDZBQOSA-N 403.527 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS[C@@H](C)C1 1301492884 QPBSAYSIVQPVBE-ZDUSSCGKSA-N 401.492 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](CCOC)C1 1301579529 VAINYMOPCMPJTJ-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(OC)C1 1301588777 JHJQYRPPSOCBLP-VQIMIIECSA-N 412.556 1.778 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)cc1 1305356249 VUXXVAXNKWRHTN-QGZVFWFLSA-N 416.507 1.555 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(Br)c3Cl)C2)c(=O)nc1O 1305591132 VMGKLQDOHWQTSF-UHFFFAOYSA-N 409.627 1.934 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccc(F)c1 1307916880 LVMKUDLJPXETAM-PKOBYXMFSA-N 414.437 1.964 30 10 HDEE COC(=O)c1cccc(CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c1C#N 1307930071 RUUBCBPMCVTHSI-BGYRXZFFSA-N 403.438 1.962 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCn2ccnc21 1316098465 TUOOQBCRPPTCRJ-MRXNPFEDSA-N 414.514 1.557 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)CC1=O 1316119238 VKJZNFKGAOBHIK-IEBWSBKVSA-N 424.505 1.537 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1cc(N2CCOC2=O)ccc1F 1321743825 CDFKMNFBDOKEOI-FOCLMDBBSA-N 403.370 1.430 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1Cl 1351661237 LGXNDEPXUZVIEP-QGZVFWFLSA-N 412.833 1.873 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)c1ccsc1 1358943239 AXDNTDPVFQTXDA-HXUWFJFHSA-N 420.502 1.959 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1358967882 VAOGFYOUPIJHJG-KRWDZBQOSA-N 420.539 1.037 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1358978221 GOFPRTUCBRLMIY-QZTJIDSGSA-N 403.552 1.127 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1359034196 HMRCAAMRRZDZCX-FQEVSTJZSA-N 410.570 1.554 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1359126799 ZJAXTXVEVQWNQI-KRWDZBQOSA-N 413.526 1.834 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2CCN2CCN(C(C)=O)CC2)CC1 1359176722 LSTCHDXKZYJHPH-UHFFFAOYSA-N 411.554 1.850 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359302128 XJWJYGNJCKURRR-HXUWFJFHSA-N 400.458 1.012 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359341508 YVZNWIQLYNURQW-FUHWJXTLSA-N 417.583 1.755 30 10 HDEE O=C(CN(C(=O)c1ccccc1)c1ccccc1)NCCN/C(O)=C1/N=CC=CC1=O 1443533400 CBVDUXXAANEEPE-DQRAZIAOSA-N 418.453 1.976 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)Cc2ccc(C#N)nc2)c1 1449403002 CYQIDHHARIBLHR-UHFFFAOYSA-N 415.519 1.755 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O[C@@H]3CCOC3)CC2)s1 1451177637 JUSPUCXHGHZZTA-OAHLLOKOSA-N 414.549 1.551 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2ncon2)C1 1456013457 IWIVAIDGCKRHSU-CYBMUJFWSA-N 403.464 1.295 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 1462376989 IXUXDSBGGOQOTK-QGZVFWFLSA-N 407.561 1.777 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1c(F)cccc1F)N(C)C)c1cc[nH]n1 1465237148 LKRWKPCWWKZQDJ-OAHLLOKOSA-N 423.420 1.391 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@H](C)c1ccc(-c2cccc(C#N)c2)cc1 1466800760 IDJSPYGZJBSITD-CABCVRRESA-N 403.446 1.594 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1 1467886121 NBTRHCMNPORKSH-DVSFIDLUSA-N 418.494 1.907 30 10 HDEE CNC(=O)[C@@H](CNC(=O)c1nc(O)c(C#N)cc1C)Cc1ccc(OC)c(F)c1 1469401015 KNTQFYOGHMAXQK-CQSZACIVSA-N 400.410 1.450 30 10 HDEE COC1(OC)CCOC[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1470328531 VSAVKSMADFWGMH-XJKSGUPXSA-N 407.854 1.459 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OCC 1471118639 PFFCHPKRZBRQPX-HNNXBMFYSA-N 413.883 1.683 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2cncs2)C(=O)OC)cc1 1471711270 MZFMSIFEJKEYFW-OAHLLOKOSA-N 409.489 1.122 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c(O)cccc1O 1472063135 FHRTWOJGIBKSIE-OAHLLOKOSA-N 417.487 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)cc1 1472251070 AAVFLOYTHMQLOH-GOSISDBHSA-N 408.520 1.809 30 10 HDEE CN1CCN(C(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2C#N)CC1 1475682952 BELHQQYEKXFCHD-IBGZPJMESA-N 412.515 1.222 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1503364909 LIPKXCWWVDUMBG-CQSZACIVSA-N 403.874 1.591 30 10 HDEE C#CCOCCC(=O)N1CC[C@]2(CCCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1506384844 RTYXBGMETARNHM-LHQQFIGISA-N 400.519 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1507536032 AACLLFUDIKHZBX-WMLDXEAASA-N 419.507 1.140 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1507602802 HJCLPSGIPHPRCZ-UHFFFAOYSA-N 401.215 1.486 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1OC 1507613457 MZLBQSUGNBGBKN-HNNXBMFYSA-N 413.478 1.567 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@]1(O)CCc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1507632937 BPFGRJZFVNTWFE-UTKZUKDTSA-N 414.531 1.301 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CCS(=O)(=O)C1 1507681584 ZWHOKQVQPNQZDK-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1507686752 FJMLXLNLQFVEOY-UHFFFAOYSA-N 419.576 1.783 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N(CC)CC)CC1 1507721105 YIGJTFUYGCPKRV-UGKGYDQZSA-N 418.586 1.416 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(Cl)s2)CC1 1507723290 CISLYHZJQWAHAR-HNNXBMFYSA-N 418.954 1.942 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@@](C)(O)CC)CC1 1507730532 SJLMFHCWBVNNSS-KNQAVFIVSA-N 411.506 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCC2)CC1 1507741502 VMDBXTCRLFCWBD-LJQANCHMSA-N 414.554 1.581 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1507751106 JVNXWTVRCDNXAG-CYBMUJFWSA-N 411.578 1.640 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507863068 BBVYJSVTNCODHS-IRXDYDNUSA-N 421.977 1.586 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507935139 LGNKPIHAKSJUEJ-MSOLQXFVSA-N 402.543 1.744 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507946429 RPFUMXWQSCNQSL-UHFFFAOYSA-N 424.553 1.836 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(C)C)C1 1508091944 PNJAOCFDTLMQKH-JKSUJKDBSA-N 409.556 1.355 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1510283155 TZXYVDSBYGRRNP-RRFJBIMHSA-N 414.441 1.565 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1510306341 MFIVFOZGFRNCCD-NRFANRHFSA-N 412.494 1.593 30 10 HDEE N#CC1(CC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 1518836200 MAGATJRPRXEJQC-UHFFFAOYSA-N 403.863 1.584 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1519398017 HUVAGAHSBAERBY-GOSISDBHSA-N 422.493 1.950 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1520658912 AEFXCIRNZUHAKY-OLMMMNRUSA-N 407.540 1.735 30 10 HDEE C#C[C@H](NC(=O)c1c2c(nn1C)CCS(=O)(=O)C2)c1ccc(Br)cc1 1528497056 IUJHKFWVMBJAJF-AWEZNQCLSA-N 422.304 1.758 30 10 HDEE C#CCN(C(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21)[C@H]1CCS(=O)(=O)C1 1528599957 MDTDBHOIYGJRRX-PQEBFOHHSA-N 408.317 1.984 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1nc2n(c1C#N)CCOC2 1537678986 IHINCOSKEVATCT-OAHLLOKOSA-N 413.434 1.555 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc2c(s1)C[C@H](C)CC2 1539149237 RDDVODBJHHVLFR-CHWSQXEVSA-N 422.580 1.587 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CCc2ccccc2)C1 1539175437 XZOXECSQZRSKOG-VQTJNVASSA-N 406.534 1.863 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539218768 CQUFBHIZYYESIK-QGZVFWFLSA-N 404.540 1.308 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1539268401 OXSDXUNCRVRCLK-NRFANRHFSA-N 401.580 1.757 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(N(C)C)CCSC1 1539344516 BJZXWAWGKCBERW-WOJBJXKFSA-N 407.584 1.827 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C1CCC(NC(C)=O)CC1 1539489285 KMGRYDNBYZDEHG-UHFFFAOYSA-N 420.583 1.666 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1539621788 SRLOLORWAIBYBF-IEZWGBDMSA-N 402.543 1.357 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC2(CC1)COC(=O)N2 1539639570 ADWZMJXOYRMNCG-DOTOQJQBSA-N 405.499 1.875 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C)C1CC1 1540108934 MLCZMXLJAWCAJM-OAHLLOKOSA-N 402.524 1.676 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1540899967 GYAXABKIXURLQP-MRXNPFEDSA-N 403.508 1.261 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1542768561 HQWYIJTVGMUGRZ-IAGOWNOFSA-N 402.499 1.894 30 10 HDEE CC(C)N1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1543736317 OHFCJPKUTQNOEU-FMPZLKCCSA-N 404.511 1.899 30 10 HDEE C=C(Br)CNC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1544517452 JVLMEUOGXDAING-UHFFFAOYSA-N 403.236 1.855 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2Cc2conc2COC)CCOC1 1547854245 LTYSWSGUCYLMSY-LIRRHRJNSA-N 404.471 1.851 30 10 HDEE N#C[C@]1(F)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 1556211306 FEJAEZQYXSUMEM-GFCCVEGCSA-N 410.652 1.828 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CSCN1C(=O)c1ccc(OCC)cc1)C(=O)OC 1556375393 IKTXICQDGBPKGM-IRXDYDNUSA-N 422.503 1.461 30 10 HDEE N#CC[C@@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C(F)(F)F 1558442947 RIFAPMOSGKCYGN-CQSZACIVSA-N 421.397 1.477 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(F)c(F)c2)c1=O 1559448541 FUDSUTVDCNUTRA-UHFFFAOYSA-N 405.357 1.384 30 10 HDEE C#C[C@@H](NC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)C1CCOCC1 1564060341 NYBXZXXTSCAPJR-HXUWFJFHSA-N 404.555 1.439 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)C[C@@H](O)c1ccc(C)cc1)c1cc[nH]n1 1566184689 PCPJHWOSQORHPW-QGZVFWFLSA-N 402.451 1.584 30 10 HDEE C=CCOC[C@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)C(=O)OC 1568154683 OQAPBOOZXHSVMK-GJZGRUSLSA-N 400.472 1.263 30 10 HDEE N#C[C@@H](CO)NC(=O)c1nnn(-c2ccc(Br)cc2)c1C(F)(F)F 1569054758 AFYWCFIHDQJENK-QMMMGPOBSA-N 404.146 1.663 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1588075091 XLVKXYAGPZKGGK-QGZVFWFLSA-N 403.508 1.079 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OCC)c1 1588128058 BJSAQMVXVACOTL-QGZVFWFLSA-N 407.474 1.758 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NC(C)C 1588200057 BAHWACIFEQVDRK-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCS2)CC1 1588884451 ARYDCSFMQRDAKQ-MRXNPFEDSA-N 418.567 1.278 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCN2CCOCC2)CC1 1588947878 XSPDDEOMTPKOAZ-UHFFFAOYSA-N 416.570 1.165 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1589599853 NUQRUQFRRRTVBS-SFTDATJTSA-N 407.559 1.788 30 10 HDEE C=C(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1593642966 IQAYVBBNGJBNLM-UHFFFAOYSA-N 411.478 1.805 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)(C)C)CC1 1595477578 WGCLFFQUZONAOY-QGZVFWFLSA-N 422.574 1.615 30 10 HDEE C#CCN(C(=O)c1ccn(CCCNC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 1597138554 MYLVHUGJJRUTED-HNNXBMFYSA-N 424.523 1.060 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCSCC2)C1 1611765015 CQNMCDZVZQBNSY-FQEVSTJZSA-N 417.583 1.693 30 10 HDEE COC(=O)C1=CN2[C@H](C#N)[C@H](c3ccccc3F)C(C(=O)OC)(C(=O)OC)[C@H]2C=C1 1614988045 UDFOEALRXYBWIX-ZACQAIPSSA-N 414.389 1.445 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1616870272 KPQIIDWRSMTINA-MOPGFXCFSA-N 414.524 1.099 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 1616901819 LCVXMBUPBXEZJE-LJQANCHMSA-N 401.492 1.915 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1617613362 DWCNNOIOYNXZGB-RTBURBONSA-N 424.505 1.710 30 10 HDEE COCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1619821729 HQVBPWGQIDSPEE-SFHVURJKSA-N 411.510 1.802 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(C#N)CC1 1620169436 QWPXZLDWEMDBOI-HZPDHXFCSA-N 408.528 1.294 30 10 HDEE C[S@](=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1620178428 GCNCGCDETVFAOP-ZKLVULHXSA-N 404.540 1.660 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1620180609 DHLGEOASDCYLOU-VPTFNQTCSA-N 422.514 1.996 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 1624927341 YXRMNDUSLHMUIK-HGNXGAGXSA-N 420.495 1.114 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)c1 1627437162 VFUDJTSMICIAPP-KRWDZBQOSA-N 403.391 1.600 30 10 HDEE C#CC1(O)CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1630039326 RQEGUPCFKMKGAZ-UHFFFAOYSA-N 400.294 1.600 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1 1630103929 VTUNEJAFZJCAEO-UHFFFAOYSA-N 401.492 1.143 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CCN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)CC2 1630249796 SGTOKRGTPHKPOX-ZCXUNETKSA-N 418.494 1.905 30 10 HDEE COCCN(CCC(=O)OC)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633250423 QFEXTQZAAZLRKR-TZQQIIETSA-N 423.510 1.811 30 10 HDEE C#CCN(CC(=O)NCc1nnc2n1CC[C@H](C(F)(F)F)C2)C(=O)OC(C)(C)C 1634708356 PZKKCXLRXNZDFJ-LBPRGKRZSA-N 415.416 1.889 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 1634827904 DSYWUSFXNLTSPI-FMQUCBEESA-N 418.881 1.606 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCN(c2cc(F)ncn2)CC1)c1ccccc1 1637183180 HDPIWUNDMBFQPJ-UHFFFAOYSA-N 410.453 1.991 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N[C@H](CC1CN(C(=O)OC(C)(C)C)C1)C(=O)OCC 1637967038 WBKOOFAOTSNOOP-SJORKVTESA-N 407.511 1.389 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1F 1638047971 DDHHUKIEOAFDDM-QGZVFWFLSA-N 408.389 1.244 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1F 1639274115 HYEMEVATWFTRMP-AUUYWEPGSA-N 417.387 1.796 30 10 HDEE CNC(=O)NCCNC(=O)c1ccccc1SCC(=O)Nc1cccc(C#N)c1 1639741868 OPUSSUVRTNUJFJ-UHFFFAOYSA-N 411.487 1.948 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C[C@]1(C)NC(=O)NC1=O 1640482854 DSIYZDZBOGFAJC-CKNLXJGOSA-N 406.483 1.272 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1640726540 ZTQQMZOVQQVAAS-RBSFLKMASA-N 416.544 1.550 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](CC(F)(F)F)O[C@H](C)C1 1641092388 PRDMFQTYCRUMDE-DYEKYZERSA-N 419.425 1.793 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)cc1 1641306846 VIGCRYQLODOMIS-OAHLLOKOSA-N 420.512 1.452 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@@H]2CSc3ccccc3O2)c1 1641668734 LPSNXYVWKQYVLG-CQSZACIVSA-N 403.485 1.506 30 10 HDEE CC[C@H]1[C@@H](CO)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641669127 ZTIDCIAFCZWSOT-MJGOQNOKSA-N 405.520 1.578 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccc(F)cc1Cl 1642628711 AQUQCWCUPKASEF-UHFFFAOYSA-N 409.826 1.517 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1642969241 TYXMSGUINNEXJD-DOTOQJQBSA-N 411.462 1.279 30 10 HDEE CC(=O)N[C@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1643496456 HSLLOHAAHDUULQ-IRXDYDNUSA-N 413.522 1.566 30 10 HDEE COc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1C(=O)c1ccccc1 1644265304 BTBXBCUGRJWRNO-UHFFFAOYSA-N 404.382 1.699 30 10 HDEE Cn1c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc(=O)n1-c1ccccc1 1645068033 MUADTPHVHUWIKN-KRWDZBQOSA-N 415.453 1.717 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 1645782171 ZPVMTWMFYSZQGE-UHFFFAOYSA-N 407.536 1.553 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCC(=O)N1CC(=O)Nc3ccccc31)C2 1648291712 RREYRDLSBWCWDW-UHFFFAOYSA-N 409.471 1.852 30 10 HDEE COc1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc2c1OCCO2 1649035691 IWHRPOVRCFRVAR-UHFFFAOYSA-N 412.398 1.984 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(=O)c2ccccc2[nH]1 1650684371 NCXWVXJPUYYTPN-UHFFFAOYSA-N 424.482 1.663 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)c1 1653997456 OMGHMXNEVKOGJB-ZDUSSCGKSA-N 400.382 1.365 30 10 HDEE O=C(CN1CC[C@H]2CC[C@@H](C1)S2(=O)=O)NCC#Cc1cccc(C(F)(F)F)c1 1654483249 WPUCDMYFIYCPTK-SJORKVTESA-N 414.449 1.825 30 10 HDEE COCC[C@H](CN1CCN(c2nccnc2C#N)C[C@@H]1C)NC(=O)OC(C)(C)C 1659019143 FEVMMKVHHGLVRV-JKSUJKDBSA-N 404.515 1.789 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)nn1 1664903261 ONHZPYLQXUTZDS-UHFFFAOYSA-N 417.413 1.625 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 1665970277 YVMPAOOKRFCEHP-GOSISDBHSA-N 422.551 1.868 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)C1 1667648643 HRVXTVNGPNXVHF-HNNXBMFYSA-N 407.492 1.486 30 10 HDEE C=CCC1(NC(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CCOCC1 1669081390 HCQPNDGAGCQWIM-HOTGVXAUSA-N 405.499 1.766 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1671150689 ORNWHWPVYRPPBF-SNVBAGLBSA-N 418.313 1.245 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 1681528147 CSQISLASCRBFEX-RTBURBONSA-N 404.536 1.193 30 10 HDEE CN(CC(C)(C)C#N)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685226739 DOHLRGMXVBFJEA-CQSZACIVSA-N 416.544 1.602 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)O2)[C@@H]1C 1685277360 REGZFSZRSJXELA-IXBXCVQTSA-N 414.510 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1689826857 VVNCSOWDXVFZHJ-HZPDHXFCSA-N 417.535 1.959 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCN(C)C 1689836006 XCNBGWIROLUFLB-MRXNPFEDSA-N 419.551 1.385 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1690086164 TZEJDWGNHKKZLS-HRAATJIYSA-N 419.526 1.961 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1690321867 NMJFCFODSPCMAY-RYRKJORJSA-N 407.515 1.262 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690339965 AHKNRXAFKRMLBE-UHFFFAOYSA-N 417.945 1.781 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690489783 CBNFOTCJIOCXPW-GOSISDBHSA-N 413.526 1.777 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CC[C@@H](SCC)C1 1690655393 RPFQNDCSLDDJFP-JKSUJKDBSA-N 420.583 1.927 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)N(C)C)C1 1690712435 VRWZITZUEPIAES-MRXNPFEDSA-N 404.515 1.050 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1690742281 LMFRTSPZLYPQEZ-JKSUJKDBSA-N 420.583 1.891 30 10 HDEE CO[C@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697658269 CIVAWYGHZYIDOK-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1705510464 QDCDYPCEJPSALM-OAHLLOKOSA-N 417.535 1.960 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1705553505 QWOZXOUBCICWHH-UXHICEINSA-N 422.533 1.304 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705566536 NXORPSKKQRJVFD-KZNAEPCWSA-N 420.535 1.492 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F 1705582508 CMFQSAYQVOXOQG-CYBMUJFWSA-N 402.442 1.842 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCc2cnn(C)c2)CC1 1705649890 HKVXDFGHKBJICV-UHFFFAOYSA-N 409.538 1.563 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC=C)C1 1705662333 WHGMRFDYXNEUTH-CVEARBPZSA-N 410.565 1.328 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705730980 QFENNUUFEQZNHD-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1705821059 JKXLYBKZNCUISZ-UHFFFAOYSA-N 409.494 1.751 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCS(=O)(=O)CC 1705841167 QAGZLBMXXAILFO-UHFFFAOYSA-N 416.507 1.249 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C)[C@@H](C)C1 1705902874 LNSZXCSLJOKOQZ-CALCHBBNSA-N 424.553 1.847 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1708254640 ARTCWNMILJRUIJ-BBRMVZONSA-N 409.450 1.030 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccnc1C 1712648560 XDOPVJVISRZXRZ-BQFCYCMXSA-N 413.482 1.072 30 10 HDEE C=C[C@@H](CC)CC(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1719523038 CYFBKGBEZZPIKL-WUJXOSSISA-N 400.479 1.440 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1722318453 DDVJVPAVXXUKHB-QGZVFWFLSA-N 418.567 1.970 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1722329920 MLVHWCCDCUEXQK-UHFFFAOYSA-N 420.477 1.844 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1Cc1cn(C2COC2)nn1 1722378897 UBXGOAQOCAUUMT-UHFFFAOYSA-N 407.865 1.882 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1C1CC1 1722427551 PCQSOSJMMJUCRA-LJQANCHMSA-N 414.554 1.503 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C(C)C)CC1 1722432024 VJZLJDJGLIABQQ-YADHBBJMSA-N 419.570 1.481 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722439881 SYSJVXIGEWLAQR-PMACEKPBSA-N 410.522 1.071 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1722525398 FODLXAKQOQJQAL-KRWDZBQOSA-N 404.540 1.606 30 10 HDEE C[C@H]1CCCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)CC2)C1 1726576934 CODSXZHVWXHYMS-KRWDZBQOSA-N 407.522 1.875 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(N)=O)CCCC1 1729408615 HMTKKHBPUSCJPI-QGZVFWFLSA-N 421.505 1.783 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CC=CCO2)CCO1 1731187731 XFFHLINQPHNBNO-CABCVRRESA-N 414.491 1.343 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COC)C1 1740738073 CWCMJZDQSHBMMR-NEPJUHHUSA-N 422.349 1.270 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1740841028 HAZOEVLXQXITQR-KRWDZBQOSA-N 421.567 1.628 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1740868648 PKNSOIDOAHGHJL-QLFBSQMISA-N 401.533 1.095 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740876906 XMSCUFNDRSFJDO-SJORKVTESA-N 421.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@]2(CCOC2)C1 1740953594 LMIRDCSZXNORED-OAQYLSRUSA-N 413.478 1.252 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(O)CCOC2)C1 1740978558 XSBMZKCWSJDCHM-IIBYNOLFSA-N 400.479 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnccn1 1740990848 HJJVSOYWKYEMOB-MRXNPFEDSA-N 406.512 1.547 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1741001080 KRYMXYIWUVWNMR-FTRWYGJKSA-N 421.567 1.923 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1741075143 SKIMLGZSZZUUOP-PGRDOPGGSA-N 421.505 1.400 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1741802835 LRSWZZMSDDOPMU-BZUAXINKSA-N 417.539 1.378 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)COCCO1 1744696534 FHPANXLBWNNKAX-FOIQADDNSA-N 412.498 1.023 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1747356339 OWEROPIHMFFSKL-KRWDZBQOSA-N 423.477 1.326 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@@H]1C 1748344538 HTTSYRGOJZRDCK-HNNXBMFYSA-N 420.477 1.875 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1748730034 CGDDOULJRLYCTL-QGZVFWFLSA-N 402.543 1.519 30 10 HDEE C#CCN(c1nnc(CCOc2ccccc2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1748820395 AZGXEWFLFPGUGM-SFHVURJKSA-N 414.531 1.936 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749027699 SCTBGBHRBXFAAO-OAHLLOKOSA-N 400.508 1.769 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)C 1749042657 ARFYVDPFSBGVIZ-QGZVFWFLSA-N 412.494 1.521 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749218331 LRZFLFRNXOPJPZ-MRXNPFEDSA-N 423.539 1.957 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@H](Nc2cc(OC)cc(OC)c2)C1 1749652376 MOHUZBGYNDMIFF-MRXNPFEDSA-N 414.510 1.987 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)Cc3ccccc3)CC2)nnc1C(C)(C)C 1749681931 KWDVYACTVIZQPB-UHFFFAOYSA-N 424.549 1.769 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)CCc1cnccn1 1749741271 VSGZSBORDXXMSW-MRXNPFEDSA-N 406.512 1.199 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1F 1751216231 BWYCKZVIMAVAIO-PXAZEXFGSA-N 410.450 1.518 30 10 HDEE Cc1nnc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1Cc1ccc(C#N)o1 1751925539 CJJZHTRXAYEEBJ-UHFFFAOYSA-N 424.436 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1760099321 DWYZPTLUAKNKMF-FOIQADDNSA-N 403.483 1.959 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1760167905 HGPHCJYWCKNAAT-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C1CC1 1760173139 KSPKFCGUEWVYLY-SFHVURJKSA-N 417.535 1.690 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760188095 HMVMRJYMXJSIDV-MRXNPFEDSA-N 405.524 1.335 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1760270453 PSDUWWVKRYOLAK-MOPGFXCFSA-N 417.554 1.494 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760280956 NVLBDANIYLIFEE-UHFFFAOYSA-N 402.568 1.266 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1760281630 PCYUYNNRLZTFAH-QAPCUYQASA-N 410.565 1.163 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1760287638 ZQQZYGWWPVPFOH-IKGGRYGDSA-N 421.567 1.331 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@@H]1CC 1760360751 LIRDIIYWYUUVDG-ULQDDVLXSA-N 407.515 1.310 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C)C1=O 1760419292 NLOGRUZGZQNHSC-OXQOHEQNSA-N 423.583 1.841 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1760450703 PUTWKISDUKDNPM-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCNC(=O)C1)C(C)C 1760487671 AUCNOGYMNQFNMT-IBGZPJMESA-N 411.554 1.918 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ncccn2)CC1 1760526765 GUHFQXFUPJLWSP-UHFFFAOYSA-N 410.526 1.430 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)NC(C)C)C1 1760547810 RTOINUZLKZGOPJ-JZXOWHBKSA-N 407.515 1.308 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CCn1cccn1 1760555264 AXDGAKFYGJSDIZ-MRXNPFEDSA-N 408.528 1.453 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCNS(=O)(=O)c1ccccc1 1761910702 DNMIFAZTBQUZMM-CVEARBPZSA-N 418.523 1.499 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1csc(C)n1 1764187025 BGYFJBSAHQNLHL-INIZCTEOSA-N 417.539 1.933 30 10 HDEE CN(CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C1CCCC1 1767370084 FNIKZSPXESTWAD-UHFFFAOYSA-N 423.521 1.539 30 10 HDEE CNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(C#N)o2)CC1 1769218596 IGGCIOWYYIJLKQ-AWEZNQCLSA-N 416.482 1.477 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@H]1OC 1770296164 CEBKCNDTIPMAPQ-HDICACEKSA-N 408.466 1.349 30 10 HDEE COc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCc4[nH]nc(C#N)c4C3)n2)cc1 1848941380 XIDIWLQKUWGZOP-ZDUSSCGKSA-N 404.430 1.660 30 10 HDEE N#Cc1ccc(OCCCN2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1850719035 IDHPLCSQDIQYRM-UHFFFAOYSA-N 420.457 1.732 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1F 1851292926 LBQLDXVPUJFIKQ-OAHLLOKOSA-N 408.437 1.498 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)CC1 1852268419 LATZYUDGMUBXNY-KRWDZBQOSA-N 411.911 1.035 30 10 HDEE O=C(NCC#CCN1CCCCC1)c1cccc(S(=O)(=O)N2CCSCC2)c1 1852558013 AHWXPAHCNOZIKM-UHFFFAOYSA-N 421.588 1.643 30 10 HDEE N#Cc1cc(Cl)c2nc(C(=O)NCC3CCN(S(=O)(=O)C4CC4)CC3)cn2c1 1853330856 CBALLHALZUCTCR-UHFFFAOYSA-N 421.910 1.793 30 10 HDEE Cc1nnc2c(N3CCC(N(Cc4ccc(F)nc4)C(=O)CC#N)CC3)nccn12 1853576691 KNAUQNCCEHDECM-UHFFFAOYSA-N 408.441 1.878 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@@H](C2CCN([C@H](C)CCC#N)CC2)CC1=O 1853896461 SPISHSJOXBDNFL-WBVHZDCISA-N 414.506 1.787 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)CCC(F)(F)F)C1=O 1854319464 XAAVEVGRDVXPQE-AWEZNQCLSA-N 410.400 1.329 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1854781202 CMLFJROCPIPFEM-AEFFLSMTSA-N 409.552 1.360 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CC(Cn4ccnc4C)C3)C2=O)CC1=O 1854827771 TXEAAOJXEVPHBM-MOPGFXCFSA-N 413.522 1.066 30 10 HDEE Cn1nncc1C(=O)N1CCC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855152629 HLQBLIZDVNBPFX-SFHVURJKSA-N 408.462 1.361 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCCN([C@H]4CCOC4)CC3)CCC2=O)c1 1855270741 HYUUYUBOZDPAAL-FPOVZHCZSA-N 410.518 1.734 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2nccnc2N2CCOCC2)C1 1855424284 NVWKWYFHYUETHA-MSOLQXFVSA-N 413.522 1.733 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3C[C@@H](CN(C)CCC#N)CC3=O)nc12 1855724795 KPEJKPFSMTWNJF-CQSZACIVSA-N 415.519 1.962 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3ccccc23)CCN1CCOc1ccc(C#N)cc1 1855924100 RJUAKAVALAJSEB-MRXNPFEDSA-N 403.442 1.958 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)C3(CCCC3)C2=O)ccn1 1856423729 SWMBRUFNAUXMJA-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ncoc2CC(C)C)C1=O 1856757324 UTXOGBFOSWLKES-HZPDHXFCSA-N 402.495 1.723 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)C(C)(C)C)C3(CCCC3)C2=O)CC1=O 1857118334 WHNVLIPOLUWEDN-INIZCTEOSA-N 403.523 1.620 30 10 HDEE CC(=O)N1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1857144641 LFUBMORIZBHQOJ-MRXNPFEDSA-N 402.882 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)CC1 1857309956 OMYLLUDSXSTNFH-KRWDZBQOSA-N 404.511 1.997 30 10 HDEE C[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)OCO2 1858111956 YCUYMFBTRXKYDA-ZDUSSCGKSA-N 401.444 1.981 30 10 HDEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783487 RYAAEVQBCBJHCR-NVXWUHKLSA-N 403.552 1.303 30 10 HDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC[C@H](CO)C2)CC1 1868783648 SOQXYYXPGUCYLW-RDJZCZTQSA-N 404.536 1.372 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1c(S)nnc(C)c1=O 1873498213 VYUKAHYJHKKZLX-CNHKJKLMSA-N 403.420 1.403 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2)CC1=O 1874274332 QOHPORYPHKGITF-MNUWJXFPSA-N 400.508 1.852 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NCCO)ncnc21 1875231517 QPXSAKKQHOHMAU-UHFFFAOYSA-N 407.478 1.379 30 10 HDEE N#Cc1ccc(C(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 1890923596 DOMQZTRWCLGBAT-UHFFFAOYSA-N 402.451 1.923 30 10 HDEE C=C(Br)CS(=O)(=O)NCCN(CCOC)C(=O)OC(C)(C)C 1962344853 LZHXRCLEHXBDCX-UHFFFAOYSA-N 401.323 1.698 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010391579 SUAAORPEBPVIDQ-CQSZACIVSA-N 416.287 1.890 30 10 HDEE C[C@H]1CCC(=NO)CN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025099 GMNFIWSYQDUBMG-KPZWWZAWSA-N 411.455 1.655 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)[nH]1 2069517042 KWDVJVTYBUPOQQ-DYVFJYSZSA-N 403.446 1.876 30 10 HDEE CC(C)(C)OC(=O)NCCCC[S@@](C)(=O)=NS(=O)(=O)N1CC[C@H](C#N)C1 2118154647 JYPPXARJQJFSFL-YMXBGEKHSA-N 408.546 1.479 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CCS)C(=O)O)[C@H]2CCO[C@@H]2C1(C)C 2180242105 LDKVBNADTGAPAB-DBYGNECLSA-N 402.513 1.584 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CC1 2181104838 DTVFORCEQCKEKJ-KRWDZBQOSA-N 417.553 1.316 30 10 HDEE Cc1nn(C)c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247830372 YVOCZKFLGJCBCF-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248405966 XTPHYRYWRDNWDR-KGLIPLIRSA-N 423.319 1.592 30 10 HDEE CCc1nc(C(=O)N2CC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267170844 BFXZKBDDLLBRQH-LBPRGKRZSA-N 408.329 1.840 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@@H]1CCS(=O)(=O)C1 2282011368 IGOOVUXUEZOSHL-LLVKDONJSA-N 400.331 1.092 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@](C)(CO)C(F)F 2282324688 SNQNUGPPZVTUIC-HNNXBMFYSA-N 411.301 1.650 30 10 HDEE CN1CCC[C@@H](N(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331400 MVLBEAZYGDJUIJ-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CCC[C@@]1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282335400 OZQHUIHYUYBRFY-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)c1csc(=N)[nH]1 2282347689 BDXRKISVSUIENN-SECBINFHSA-N 415.371 1.956 30 10 HDEE CCN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282415757 LVSZNBPZUNPLOX-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CC2(C1)OCCO2 2282550347 XZULDPALXCEKCP-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282610592 YWJSLRPGLAKLGJ-AFNXNYLOSA-N 401.725 1.619 30 10 HDEE CN(C[C@@]1(O)CCOC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616067 WLPXMTPROXJLGN-KRWDZBQOSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@H](O)C2)OC1(C)C 2282829782 KGXZUBYGHRADIF-LBPRGKRZSA-N 402.347 1.119 30 10 HDEE CN(CCCCCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837644 WFLQCDJIUNPYQA-UHFFFAOYSA-N 404.363 1.367 30 10 HDEE CC1(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC(N)C1 2282846985 RMHOBLCPJZJRFZ-UHFFFAOYSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](O)CC(F)(F)F)s2)OC1(C)C 2282862632 GENIQTOKIKCIJE-SECBINFHSA-N 415.264 1.639 30 10 HDEE C=C(CS(=O)(=O)N[C@H](C)C[C@H]1CCCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2282872733 AQVOKTQOWMKPBF-ZIAGYGMSSA-N 407.363 1.449 30 10 HDEE C[C@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876189 ZKTPSZRGVVDYPJ-MJVIPROJSA-N 401.721 1.687 30 10 HDEE CC(C)SC[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284378045 KKTPXTILCLALPZ-LLVKDONJSA-N 400.331 1.767 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC=C[C@H]3C(=O)O)cc2Cl)OC1(C)C 2284395079 HHVURHQBTPKHLP-JTQLQIEISA-N 419.717 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@H](C)C[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284396765 FXOGHJHQHNIBGM-GHMZBOCLSA-N 401.315 1.592 30 10 HDEE CC(C)(C)OC(=O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284403131 NXEVBVODBHJZRA-UHFFFAOYSA-N 403.331 1.667 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284412271 TZISMSPAQUCXKH-NSHDSACASA-N 403.331 1.887 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288894553 JJGOMBFOEZZEKC-KGLIPLIRSA-N 401.359 1.722 30 10 HDEE CC1(C)OB(c2cc(N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ncc2F)OC1(C)C 2304822029 CMIGHIWYZWWNGC-WDEREUQCSA-N 415.196 1.872 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](O)c1nc(Br)nn1CCOC 2307985076 VCCUFNUPYNKPOH-QWRGUYRKSA-N 403.277 1.637 30 10 HDEE COC1(C#CC(=O)[C@@H](O)c2ncc(I)s2)CCOCC1 2363814268 HDGMSWDKHMBNTH-LLVKDONJSA-N 407.229 1.549 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2363987935 OUERMEQBNXRIGU-RDTXWAMCSA-N 413.565 1.727 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367792020 LADVCTVRABHFGN-YJBOKZPZSA-N 401.525 1.782 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1N(C(=O)OC(C)(C)C)CC1(C)C 2367813234 BEBYIPBYSKORNR-ILXRZTDVSA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@H]1[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2370681331 NHOLKZZPJTVZIE-RRFJBIMHSA-N 400.541 1.291 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@](C)(C(=O)O)[C@@H]1CCCS(=O)(=O)C1 2377325205 UVTFCDJODGPYSW-RDTXWAMCSA-N 404.529 1.715 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 27903519 RFANRBXITDSJPE-KRWDZBQOSA-N 422.957 1.486 30 10 HDEE O=C(O)COc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 33960875 TYSDRXFGDHNUJG-FYJGNVAPSA-N 411.466 1.981 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nnc(SCC(=O)c2ccccc2)n1N 59914416 ALQCSJSVSYRLNJ-KEBDBYFISA-N 414.495 1.219 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)[C@H](C)Oc4ccc(N)nc43)cc21 96496152 RJAHOBXTEKORSU-LBPRGKRZSA-N 408.414 1.572 30 10 HDEE CC[C@@H]1Oc2ccc(N)nc2N(C/C(O)=N/S(=O)(=O)c2ccc(C)cc2)C1=O 96496662 YZDOVFNNHVMDCZ-ZDUSSCGKSA-N 404.448 1.822 30 10 HDEE CN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)cc2C1=O 109893573 NIAWIYLBDYGSBP-QGZVFWFLSA-N 420.450 1.938 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(F)cc1F)C1=NS(=O)(=O)c2ccccc21 111029216 IGLBSNMPEWDSQO-HNNXBMFYSA-N 404.398 1.727 30 10 HDEE CC(=O)c1ccc(N2/C(=N\C(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 229847898 JSHANEVQVKNTMY-AUVQNDJMSA-N 410.473 1.355 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)C2)c1 238866638 LXMDLHKGFQWPDQ-KRWDZBQOSA-N 424.482 1.631 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 410136067 UFXDIHZCBDUUNU-HNNXBMFYSA-N 416.494 1.626 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCN(c2ncccc2C#N)CC1 427520130 WTLJYGHGOCKAOL-JOCHJYFZSA-N 405.458 1.009 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C(CC)(CC)C2)cc1 428694597 SVLTVZITSKUSGJ-UHFFFAOYSA-N 414.549 1.580 30 10 HDEE COC(=O)[C@H](CNS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N)Cc1cccc(F)c1 443071714 OIEHSTBAOVGLAT-ZDUSSCGKSA-N 421.406 1.916 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCN(c2ccccc2)C1=O 465183874 LZGIETPWQOWXTJ-RDJZCZTQSA-N 405.462 1.374 30 10 HDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N(C)Cc1nnnn1C 466658016 DMRCBQHCTUFWBV-UHFFFAOYSA-N 405.418 1.780 30 10 HDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 471875432 ILYMHOVEONCJHW-UHFFFAOYSA-N 418.441 1.362 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3COc4ccccc4O3)CC2)c1C#N 472048811 NJKXGXNAJBXAPG-MRXNPFEDSA-N 410.478 1.662 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCCCN3C(=O)COc4ccccc43)C2)nc1 489353631 CWMOBEMFFHNBCK-QGZVFWFLSA-N 421.457 1.932 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccc1C 508922436 QKBUOYIHXCFHEC-KRWDZBQOSA-N 405.524 1.742 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 508961444 NCVHWYKCQILRFR-KRWDZBQOSA-N 421.509 1.848 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 514183923 YTBQWRNHCRVCKW-IAGOWNOFSA-N 402.520 1.137 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccccc1C 532194389 BACUMSITEGXLRT-UHFFFAOYSA-N 411.508 1.527 30 10 HDEE CCn1c(=O)c(C(=O)CN(CC#N)C2CCCC2)c(N)n(Cc2ccccc2)c1=O 532990336 NVGLPNKIMAGUBL-UHFFFAOYSA-N 409.490 1.611 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1S(=O)(=O)NCC#N 535203030 XSLOANINSZFOQB-OAHLLOKOSA-N 424.486 1.869 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NCC(=O)NCCCN2CCCC2=O)n1 542935461 HVJZVJDLNCAKFB-UHFFFAOYSA-N 400.870 1.938 30 10 HDEE N#Cc1cccnc1N1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 543138084 GAJVTHJENVQPIT-UHFFFAOYSA-N 401.448 1.457 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 552629388 IGIAFJCALOSGTD-VGSWGCGISA-N 417.554 1.178 30 10 HDEE CCn1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1cccc(C)c1 554814246 SSMQJSVHYAYAKZ-UHFFFAOYSA-N 412.519 1.950 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 560429144 JGAIFDAADHEIKM-AWEZNQCLSA-N 414.531 1.249 30 10 HDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)NCc1ccc2c(c1)OCO2 585673860 VNGWPGCKBMLGJR-MBRVSLKRSA-N 422.397 1.105 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C[C@H]1CCCO1 603797772 GSQIBIQQWAVLOI-OAHLLOKOSA-N 417.556 1.570 30 10 HDEE Cn1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C(F)F 608931301 OBPVTQSMORVONZ-UHFFFAOYSA-N 409.418 1.376 30 10 HDEE Cc1cc(S(N)(=O)=O)cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1C 609827003 BVNDPOKXLZDZKG-UHFFFAOYSA-N 414.491 1.572 30 10 HDEE CCN1C(=O)[C@@H]2CN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CCN2C1=O 610616028 CTBSDUXYQNQKRQ-HKUYNNGSSA-N 411.506 1.907 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cn1 618877111 HRCBJVMRELKPRW-QGZVFWFLSA-N 409.446 1.795 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619712988 IECKESWTWZROHL-MRXNPFEDSA-N 400.526 1.373 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCS(=O)(=O)C1 729331117 JOOCYKANXVFCEB-HNNXBMFYSA-N 407.879 1.972 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F 729484662 OZYQVNBFVUWACK-LLVKDONJSA-N 422.887 1.249 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCCc1c[nH]c2ccccc12 741342170 FUKIVSWWWKDZNX-OCXMVEDOSA-N 424.457 1.675 30 10 HDEE N#Cc1ccc(OCCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 742104999 QWTWAICQDGBQJB-UHFFFAOYSA-N 412.471 1.572 30 10 HDEE COc1cccc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 748064919 CQZRUKSIRWTIMU-MRXNPFEDSA-N 416.503 1.860 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)cc1 759684864 DCMLGYAPEXQFCS-LJQANCHMSA-N 416.455 1.856 30 10 HDEE Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 760621819 XEXMXKKFZHXFPY-UHFFFAOYSA-N 405.411 1.820 30 10 HDEE C#CCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@@H]1CCS(=O)(=O)C1 761676244 IGISADLAPNFANR-MRXNPFEDSA-N 408.501 1.367 30 10 HDEE C[C@@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O 767537439 VXPOSMIFJGJMMZ-IBGZPJMESA-N 416.434 1.834 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)Cc1ccccc1C#N 774029777 NIXJTXZEPRXKOX-OAHLLOKOSA-N 411.480 1.434 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc2c(c1)O[C@@H](CC)C(=O)N2)[C@@H]1CCS(=O)(=O)C1 774240036 GXWQMKCFFPKJQD-UNEWFSDZSA-N 419.503 1.689 30 10 HDEE COc1cc(NC(=O)COC(=O)[C@H](O)c2ccc(C#N)cc2)cc(OC)c1OC 780208022 YEWBYLZQNLWJII-GOSISDBHSA-N 400.387 1.799 30 10 HDEE C[C@@]1(C#N)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 784450817 AKDAZROIIJDLIP-JHHPEZKVSA-N 416.547 1.757 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@@H]2CS(=O)(=O)NC)CCCN1C(=O)OC(C)(C)C 790741308 GHXNXGGWVCNKNT-DNVCBOLYSA-N 415.556 1.872 30 10 HDEE COC(=O)c1coc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 790841962 SQVMDZSEXYXXMS-UHFFFAOYSA-N 413.205 1.819 30 10 HDEE C#CCN(C(=O)c1nnn(Cc2ccc(F)cc2)c1CC)[C@H]1CCS(=O)(=O)C1 790910535 IEZJNDHPPVNWHQ-INIZCTEOSA-N 404.467 1.290 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CC1)CC2 793203077 HKVYIZXUCQIZCL-SNVBAGLBSA-N 402.398 1.659 30 10 HDEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1C#N 799379207 GQGCMFKUPKDIAB-UHFFFAOYSA-N 424.429 1.623 30 10 HDEE C=CCc1cc([N+](=O)[O-])ccc1OS(=O)(=O)c1ccccc1S(=O)(=O)NC 799750818 HRZQUPIIMHYWHN-UHFFFAOYSA-N 412.445 1.999 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C#Cc2ccccc2)CC3)CC1 803414871 GDTYARZQVDINIH-IBGZPJMESA-N 405.502 1.001 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)c1 813983042 FTDJIBYEHWHFAG-PVAVHDDUSA-N 412.475 1.386 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H](c2cnn(C)c2)C1 849513246 AZZXKAGRMZQTIW-MOPGFXCFSA-N 410.497 1.815 30 10 HDEE N#C[C@@H](C(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1)c1nc(O)c2ccccc2n1 919804412 QJHKQSBNLDXSBF-RDJZCZTQSA-N 423.473 1.082 30 10 HDEE C#CCN(C(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[C@H]1CCS(=O)(=O)C1 1116473480 KCPXNOCYKXJYAC-KRWDZBQOSA-N 423.498 1.752 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(F)(F)F 1158274352 BGDOVDXJGAVBPL-YPMHNXCESA-N 407.414 1.323 30 10 HDEE Cn1cc(I)c(=O)n(Cc2cc(Cl)cc(C#N)c2)c1=O 1165933095 HZLGUTZUYASIKT-UHFFFAOYSA-N 401.591 1.725 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176709496 HVGXJWWUWMLQCR-OAVHHTNSSA-N 404.517 1.306 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)s1 1188702081 XCPWBFJJKYJMFG-GOSISDBHSA-N 418.500 1.837 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(c2ncc(C(=O)OC)s2)CC1 1192697142 FWUBMFUDZZAOBF-UHFFFAOYSA-N 416.525 1.216 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN(C)Cc2nnc3n2CCN(C)C3=O)cc1C 1197701382 HONPQRJPPOKPAN-UHFFFAOYSA-N 409.494 1.359 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN3CCC[C@@H]3C2)cc1)[C@H]1CCS(=O)(=O)C1 1219955548 CEOIOTOMVXRYMB-UXHICEINSA-N 416.547 1.625 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 1230238647 ZXBULBWSJKZUMB-UHFFFAOYSA-N 413.569 1.814 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c(-c2ccc(C#N)cc2)n1 1233990588 IVMLTBZOIMCKCO-WOJBJXKFSA-N 408.506 1.699 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1286383401 MJHWHHICXPTIPP-AWEZNQCLSA-N 413.425 1.675 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC(=O)NCc1ccco1 1286416856 RTQPMQFUKFCNHN-UHFFFAOYSA-N 421.432 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1286434412 ZCNGTKBAAYFZFV-JPYJTQIMSA-N 419.485 1.732 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)nc1 1286450554 VCGWOOWCYCBJSI-UHFFFAOYSA-N 423.521 1.140 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)NC)c2)CC1 1286476669 CZVAWUNPPDAOFI-UHFFFAOYSA-N 403.490 1.436 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286701932 CAOHKUXQKSSVCN-UHFFFAOYSA-N 406.494 1.817 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1286712096 YCAWJAPIDAYDLE-HNNXBMFYSA-N 401.471 1.605 30 10 HDEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)C)C1CC1 1286737938 SJSYAPOZTGHDOZ-UHFFFAOYSA-N 421.505 1.918 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1286781216 PJPGSRGOWFREGW-MRXNPFEDSA-N 403.531 1.432 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286786052 WAXKEQOTKLEHSG-INIZCTEOSA-N 406.494 1.445 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CC2)C1 1286812568 QJLZHVOVEXUJHO-WQIZZMQYSA-N 407.540 1.093 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1286828284 KUHJTQGLKYMINY-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1286913668 SHDJFDBSXVOIBC-KRWDZBQOSA-N 422.493 1.758 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1287101224 DIYASJNIILPDJF-INIZCTEOSA-N 409.494 1.198 30 10 HDEE CC(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1287133176 GNNCBRZFJZVPEW-UHFFFAOYSA-N 424.509 1.828 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnn(C)c2)CCOC1 1288304655 GYFHQYWMMABZQO-RTBURBONSA-N 403.462 1.542 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC(F)(F)C1 1288868674 CPURLPLLHITZEB-YNEHKIRRSA-N 418.470 1.052 30 10 HDEE Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)s1 1290292740 AWIPTZNOYLJXRF-OCCSQVGLSA-N 403.512 1.714 30 10 HDEE CN(C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1cccc(C#N)c1 1292032115 YAFAQKKZFSPGCH-INIZCTEOSA-N 407.492 1.945 30 10 HDEE CC(C)(O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1292514272 CLMQUPUSCYZMNX-PSCUFVCCSA-N 420.554 1.688 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1297835743 GRAZUENDZDLAMT-XYPHTWIQSA-N 407.492 1.463 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 1298075652 LAODXUPODVVEJE-UZLBHIALSA-N 416.499 1.351 30 10 HDEE Cn1cc([C@H]2C[C@H](NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CCO2)cn1 1298555478 XCNSLRSAOCLCEU-CXAGYDPISA-N 406.439 1.507 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1300272879 NZZYCFRWFOLXKL-HZPDHXFCSA-N 404.540 1.483 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](COCCOC)C1 1300403776 PVQILCMQTLFYSR-INIZCTEOSA-N 415.494 1.909 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)c(OC)c1 1300458025 DIRKGRCDDNVZGZ-MRXNPFEDSA-N 418.519 1.705 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1300504021 IFSCOEYVFCVAHE-KRWDZBQOSA-N 403.508 1.079 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CC1(CS(C)(=O)=O)CC1 1300581598 UYFBHJJDJPUFIC-QGZVFWFLSA-N 404.536 1.807 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC2(O)CCOCC2)CC1 1300698308 QFBSCUFRPAWGCM-GOSISDBHSA-N 403.527 1.207 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300851438 UMFBIPICLRAGCQ-DZGCQCFKSA-N 417.311 1.887 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1300992174 MYXQGAHGGRMFQV-UHFFFAOYSA-N 416.478 1.321 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CCS(C)(=O)=O 1301221356 IZXOCMMCFXPQOE-CQSZACIVSA-N 404.558 1.017 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCC(O)CC1 1301302552 FIPPNEAYESUKRI-UHFFFAOYSA-N 409.538 1.986 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@@H](C(N)=O)C1 1301481768 PJOPHQOUGVSFCO-MSOLQXFVSA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@@H](NC(C)=O)C1 1301508703 RHCDQKKUWQOVMG-OAHLLOKOSA-N 417.539 1.041 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(N)=O)C1 1301530331 SFKMJBVAHRRCCZ-KRWDZBQOSA-N 424.505 1.439 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC[C@H]2C)C1 1301567651 XWXKQGRXAIXXDL-QZTJIDSGSA-N 402.543 1.666 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C(=O)NC(C)C)n1CC1(O)CC1 1301772678 NDVHLAKRERSMBA-UHFFFAOYSA-N 412.494 1.466 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1303933103 FWHGOGWSROBAJV-IERDGZPVSA-N 413.526 1.666 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1305310837 GBLHEFQPLSPCLW-SZOQZIPDSA-N 400.549 1.281 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)CCC(C)(C)S(C)(=O)=O)c1 1309077671 VEZBYOYTGQBIHX-UHFFFAOYSA-N 400.522 1.081 30 10 HDEE COCc1nnc2n1CCN(C(=O)NC1CCC(Oc3ncccc3C#N)CC1)C2 1312537431 FSONLVAAZYPMNN-UHFFFAOYSA-N 411.466 1.607 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1314683297 JHXPWVLCIKWHCS-IAGOWNOFSA-N 414.535 1.991 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](N4CCCC4=O)C3)n2CCOCCCO)cc1 1316529574 GBCLASDPGHLBNU-LJQANCHMSA-N 424.505 1.417 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)C1 1323729885 PJEJHDQEBJSVGV-CQSZACIVSA-N 404.510 1.422 30 10 HDEE O=C(CCc1nnc(-c2ccc(Cl)cc2)o1)NCCN/C(O)=C1/N=CC=CC1=O 1340427301 FTOQXEGCBTYTFO-ZCXUNETKSA-N 415.837 1.965 30 10 HDEE N#C[C@@]1(NC(=O)[C@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCSC1 1355868386 PQUZEZGGOFELHU-JXFKEZNVSA-N 402.520 1.275 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CC1CCS(=O)(=O)CC1 1358974852 UETOBJRKIHBJCG-UHFFFAOYSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCC(=O)N1CCOCC1 1358980469 WDYQQHZGSKZWHP-UHFFFAOYSA-N 421.501 1.199 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1359015048 GDLRHECCXKORPX-OALUTQOASA-N 403.527 1.720 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@H]2C[C@H]2C)CC1 1359047305 AEBDOKRHSXNDJR-UBDQQSCGSA-N 401.511 1.549 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1359147297 AXNBZLHRHCOIEF-OAHLLOKOSA-N 415.885 1.859 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1359148152 FQWIFBNCFVBUDH-UHFFFAOYSA-N 418.889 1.877 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)CC[C@H]2C1 1359183031 BSFXHUFUHDFSNH-GJZGRUSLSA-N 424.571 1.302 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359290472 CLINHXNCGDQZIQ-BEFAXECRSA-N 404.471 1.774 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](C)C1 1359296132 YATHSFULELCPQV-CVEARBPZSA-N 421.509 1.705 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359296314 FHULGBMLMUTIFX-KSFYIVLOSA-N 422.489 1.503 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1360553886 DWJFGEWZIWAZHB-RDJZCZTQSA-N 401.515 1.080 30 10 HDEE CC1(C)CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1360818535 GNFZFCWADMZXQP-FOCLMDBBSA-N 402.499 1.717 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1439726191 IIUYOAXJZVOUDP-UHFFFAOYSA-N 421.519 1.678 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)co1 1448832020 PAJPRLHXFQLRBU-INIZCTEOSA-N 422.894 1.895 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1449691523 FUDMMKHCVUPWRX-IIBYNOLFSA-N 417.462 1.476 30 10 HDEE CCOC(Cn1ncc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1N)OCC 1452947771 NICIQNYBKMWKAP-QGZVFWFLSA-N 401.467 1.542 30 10 HDEE C[C@@H]1CCC[C@H](CCN(C)C)N1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1453747044 DCFLEGPQCZQHDH-HZPDHXFCSA-N 406.552 1.837 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(Oc2cccc(C#N)c2)CC1 1456160686 LWYNZZMSGPGZHM-UHFFFAOYSA-N 414.506 1.738 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)cc1S(=O)(=O)NCC#N 1456502726 DGCWWWCKHNLRCL-DOTOQJQBSA-N 407.492 1.065 30 10 HDEE N#Cc1cccc(-c2nc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)N3CCOCC3)n[nH]2)c1 1458050090 STSQHWCGMRNCOA-DLBZAZTESA-N 406.446 1.723 30 10 HDEE N#CC[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 1460417161 KWKAVEZRCIEZMS-HNNXBMFYSA-N 403.508 1.721 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCS(=O)(=O)CC(F)(F)F 1461400497 XKGCFTFCWYFKJP-UHFFFAOYSA-N 417.413 1.244 30 10 HDEE C#CCN(C)CCCNC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1468750602 KQTDRAFFWVHPIM-UHFFFAOYSA-N 416.522 1.563 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@](C)(O)c1ccccc1 1469755700 YHNLRQGUKNZFFL-MGPUTAFESA-N 401.488 1.905 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(COc3ccccc3)n2N)c1 1472963310 RXOSVMHOAGOKAL-UHFFFAOYSA-N 422.470 1.993 30 10 HDEE C[C@@H]1[C@@H](O)C[C@H]2CC[C@H]1N2CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1473685733 OLTZBFXUTMXTGQ-SHQCPXRQSA-N 400.498 1.768 30 10 HDEE COCCCN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1504812855 IQHUDVQUMDGZDI-CWFNNOHCSA-N 418.498 1.519 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1507535641 XLDNOWLFSZMCCY-UKRRQHHQSA-N 413.478 1.761 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1507593681 TXEAUVKDWYEENE-UHFFFAOYSA-N 414.554 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1507612871 VSYZRWWANHPBSC-HNNXBMFYSA-N 408.462 1.067 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1507632387 KQQNZDFTQSQKQA-CQSZACIVSA-N 402.467 1.454 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1507634569 ZEDOVEMBTDKNDB-PXNSSMCTSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(C(=O)N(C)C)CCCC1 1507673214 PHZYFNYCGXAERH-UHFFFAOYSA-N 424.549 1.512 30 10 HDEE C=CCN(CC=C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1508022343 VZQBFLDYYQOQTB-UHFFFAOYSA-N 422.489 1.766 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C 1508084708 AKYJYLBIXMHVQP-UHFFFAOYSA-N 414.901 1.589 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2C)C1 1508087788 PXHVKWGSDLQJQE-SJLPKXTDSA-N 408.506 1.834 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1509944274 IDCNQUAPUMMSGP-VBKZILBWSA-N 407.482 1.820 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1516197231 LAUXAQJSIYEFGZ-PCCBWWKXSA-N 419.526 1.866 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1518088429 ANLVYFOJIIBELF-IFXJQAMLSA-N 419.507 1.242 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1518968303 UJMYSZPIVKPXAV-YJYMSZOUSA-N 404.471 1.389 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1519208291 SJKLFIGWKTUUPP-SFHVURJKSA-N 402.474 1.570 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2C(=O)CCc3cc(F)ccc32)n1 1524967796 FOLZRXVRATZOEP-UHFFFAOYSA-N 412.465 2.000 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)nn1 1526049738 HTWCJZZYMBUAMF-UHFFFAOYSA-N 404.224 1.139 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)ccc1OC 1531040725 KYKCLVNHTNPUGP-STUVATENSA-N 400.431 1.713 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C(=O)OC 1531945778 SIEDOLQYJKUBOK-HOCLYGCPSA-N 411.524 1.683 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(=O)n(-c2ccccc2F)n1 1532112437 BRYQYUGALJQHNE-UHFFFAOYSA-N 409.381 1.055 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCn4cc(C(F)(F)F)nc43)C[C@H]1CS(=O)(=O)C2 1538309547 BMYQKOUCRONHDL-PGUXBMHVSA-N 402.398 1.176 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1539147763 JUYKLPYBUBUPCG-HXUWFJFHSA-N 414.531 1.367 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539168027 OKXCJZMGOHHRPV-OAHLLOKOSA-N 409.416 1.458 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1539260400 PSKBNJHKUDMCNJ-SFHVURJKSA-N 404.474 1.009 30 10 HDEE C=CCc1ccc(OCC(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)c(OC)c1 1539376426 OJNSCVGRCXKLLS-HZPDHXFCSA-N 405.447 1.756 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@](C)(O)C2CC2)CC1 1539428410 RBUDCOUKGMDWMT-NRFANRHFSA-N 402.543 1.113 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539436005 FXQCNLBFVNSJQD-IERDGZPVSA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2nnc(CC)s2)CC1 1539453371 IXTUSFTVPZYYJB-UHFFFAOYSA-N 408.535 1.481 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(N(C)C)CCC2)CC1 1539481595 BNZMNMFGUMXIDZ-UHFFFAOYSA-N 400.571 1.927 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1539820358 FMGKMBBIMIENRS-QAPCUYQASA-N 424.977 1.946 30 10 HDEE C=CC1CCN(c2nnc(COc3ccccc3F)n2CCNS(C)(=O)=O)CC1 1539896909 WUAWRYBTTJOHRO-UHFFFAOYSA-N 423.514 1.948 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540870228 HVCGCMCVRYHDPZ-CVEARBPZSA-N 404.515 1.317 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1)C(=O)OC(C)(C)C 1542785524 FJEKGGJSYXDBIC-UHFFFAOYSA-N 417.462 1.788 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)CC1 1543099081 CAPVYEAXDWSDKA-DAXSKMNVSA-N 401.482 1.811 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCn1ccnc1C 1546532319 HQYWULSTJJUJJM-OAHLLOKOSA-N 406.498 1.422 30 10 HDEE CCOCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1548233955 JGQACSLNSIQXIP-CJNGLKHVSA-N 402.496 1.147 30 10 HDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(N)=O 1548369286 VBUYYSDIQFMEIW-INIZCTEOSA-N 420.395 1.610 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)cc1 1557328815 RDRVUWMBINDSMP-JZXOWHBKSA-N 422.503 1.075 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)ccc1C#N 1557382826 JMHRUFDUAYVYSW-UHFFFAOYSA-N 414.487 1.359 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1559661198 PCGCTESHZFBMSJ-QZTJIDSGSA-N 421.453 1.295 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2Cc3cccc(C#N)c3C2)C1=O 1559960466 QVCJIZDOSVOXSB-JOCHJYFZSA-N 403.442 1.762 30 10 HDEE C=CCCSCCNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 1564102498 XRSDSCYTQZABDC-UHFFFAOYSA-N 405.586 1.568 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NCC)c1 1564901646 VEVXLDSZCBXGNL-UHFFFAOYSA-N 409.508 1.471 30 10 HDEE N#Cc1csc(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)n1 1565411327 NRRJOXIGCVVGHD-ZWNOBZJWSA-N 408.427 1.666 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CCO1 1585431748 KCLDECXKMFONHJ-PCLFDXGNSA-N 403.504 1.840 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCSC1 1588695851 IXBHQJIWSBIGBQ-FQEVSTJZSA-N 420.510 1.950 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(NC(=O)OC)c2)CC1 1588871534 HAPNNPQVXINGDU-UHFFFAOYSA-N 412.494 1.796 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1589069562 LPDOEKDNOONTQI-JKSUJKDBSA-N 412.581 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CC)C1 1589568902 NBDAFGDXQOMDHC-HLIPFELVSA-N 403.527 1.997 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1594942590 AJZLMVQRHZDQMY-OAHLLOKOSA-N 420.539 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1595796590 AMGVMEQUFOUDPQ-OAHLLOKOSA-N 416.569 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595804808 GRFPYLUNVODMHU-CVEARBPZSA-N 423.583 1.430 30 10 HDEE CS(C)(=O)=NCC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1596929685 BXPAWZNSVYQCRC-KRWDZBQOSA-N 402.520 1.877 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1597509795 QTYSHLHCOVPOSD-QFIPXVFZSA-N 422.485 1.510 30 10 HDEE C#C[C@@H](Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C1CCOCC1 1612633834 LXHPYCJLMHYYFZ-QGZVFWFLSA-N 422.507 1.371 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(Cl)c(N4CCCC4=O)c3)C[C@H]1CS(=O)(=O)C2 1617486514 FCAZRNQFNJVJHH-UGSOOPFHSA-N 407.879 1.477 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1619851913 CDQYQJHBTRBFKJ-OAQYLSRUSA-N 413.478 1.761 30 10 HDEE CNC(=O)CN1CCCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 1620596576 WABKGLBBXHTCIZ-QGZVFWFLSA-N 401.511 1.084 30 10 HDEE N#Cc1ccc(CNC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1620674530 AKOLPAGSCUIUCM-RDJZCZTQSA-N 415.437 1.616 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1 1622506759 ZDEBIEYJFMMCRI-KRWDZBQOSA-N 401.554 1.496 30 10 HDEE C=CCCn1cc(C(=O)NC2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1628900157 BRWLMZNJSXWBNK-UHFFFAOYSA-N 413.478 1.906 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)C3=O)CC2)cn1 1630613743 CMFXSDLCFGGCSW-FQEVSTJZSA-N 404.474 1.586 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 1630622617 VSYZWUQGZWPPQO-UHFFFAOYSA-N 407.474 1.970 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nc(O)cc(O)n1 1630646277 FJDHQIMVDZCXDG-UHFFFAOYSA-N 423.223 1.616 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)COCC(=O)NCc2cccnc2)CC1 1630737355 IVBCGHZYJSLDCL-UHFFFAOYSA-N 407.474 1.689 30 10 HDEE CCOP(=O)(CN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)OCC 1631047688 OQSPBIJKXUUUEA-UHFFFAOYSA-N 417.424 1.797 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccnc(C)n3)CC2)s1 1632583200 XGTCDMJYUKHDJF-UHFFFAOYSA-N 421.548 1.202 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC(O)(c3cnnn3C)C2)cc1C 1633067562 DPPRIFADEMYTLU-UHFFFAOYSA-N 405.462 1.553 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1634188739 ZBUKEUKWZCWOEJ-KRWDZBQOSA-N 418.519 1.568 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(F)c(F)cc2Br)c(=O)nc1O 1634915998 NILCZIPUTQEWMX-UHFFFAOYSA-N 413.178 1.568 30 10 HDEE C=CCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1635697487 CGLKSAWLHUGUET-GJZGRUSLSA-N 411.499 1.516 30 10 HDEE CCN1CCN(C2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)CC1 1635849850 BQCSNCMISWMZLN-UHFFFAOYSA-N 404.536 1.226 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1640794147 KCSNKHYRQVRYPD-CVEARBPZSA-N 403.284 1.290 30 10 HDEE C=CCC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1640864131 PRFOWIOIPCZEFR-SJORKVTESA-N 412.446 1.777 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O 1640924092 GZOUCDQGPONGCI-MRXNPFEDSA-N 414.458 1.614 30 10 HDEE CC(C)(C)c1nnc2n1CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1641092354 OWUQBEUVXAPADI-UHFFFAOYSA-N 416.507 1.424 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(C)(C)O[C@@H]3COC[C@H]32)s1 1644175294 ODSCNGFOQDJZKX-ZIAGYGMSSA-N 400.522 1.160 30 10 HDEE COc1cn(C)nc1[C@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1647662584 LGSMZIZLHAVZAB-SWLSCSKDSA-N 410.434 1.383 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NC[C@@H]3CCCN(CC#N)C3)=NO2)C1 1650833634 BFRXGNYSKZPWQN-HRAATJIYSA-N 419.526 1.884 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)C(F)(F)C(F)(F)F)cc1 1650954725 LYONBGJGGJIZPH-NSHDSACASA-N 402.341 1.439 30 10 HDEE N#CCC1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1662725251 DHZNNUUPWYRDNZ-LJQANCHMSA-N 421.519 1.979 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 1665721405 GWYVBALNUFPQDG-UHFFFAOYSA-N 407.511 1.780 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1c(Br)cc2nc(O)oc2c1Cl 1670252242 FXDCEWHYRASQSC-LURJTMIESA-N 409.645 1.612 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCOC(F)(F)C(F)(F)F 1675738305 HALMQZWPFJBHBK-JTQLQIEISA-N 408.331 1.740 30 10 HDEE C#C[C@H](CC)NC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1683074536 TXKZISXMSXURPQ-KGLIPLIRSA-N 411.243 1.886 30 10 HDEE Cn1ccn2c(CNC(=O)N3CCC(Oc4cccc(C#N)c4)CC3)nnc2c1=O 1684847039 ZPRVBSZELAPBJC-UHFFFAOYSA-N 407.434 1.053 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1 1685093579 ATEVXEYTWUGRDQ-ALOPSCKCSA-N 403.508 1.141 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1686846849 UVQMULXJSMIUDM-ROUUACIJSA-N 407.536 1.910 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1689826585 QYXFCUYHIXXLFI-CABCVRRESA-N 417.535 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H]1C 1689838993 BJBZMZZSKLUHDE-DLBZAZTESA-N 405.510 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cn1 1689860969 MAGWYUKLYJKZOZ-CQSZACIVSA-N 402.886 1.986 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ncccc1N(C)C 1689973643 KJNZKTSECAUOIV-UHFFFAOYSA-N 409.519 1.848 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1690077748 VXYIQNOXRNHGAZ-AWEZNQCLSA-N 405.528 1.035 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1690104818 JRIHGRPVXMLCKU-UHFFFAOYSA-N 419.489 1.752 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690124783 UJSGWYYZKKTJET-RXVVDRJESA-N 418.611 1.365 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1690165798 KCMXRARLYCFRBW-UHFFFAOYSA-N 424.530 1.478 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(CC)CC 1690205885 APQMAPWJTQSOJV-FUHIMQAGSA-N 407.584 1.903 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690231622 IQQAMFCJRBGTOC-GJZGRUSLSA-N 423.359 1.982 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F 1690256537 OSIZTRBOHBHUIR-LBPRGKRZSA-N 417.486 1.931 30 10 HDEE C=C(C)COCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690301188 QPKXWDOTLNYNAQ-SFHVURJKSA-N 420.558 1.959 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCO[C@@H](C#N)C1 1690480720 OFPQMZGSZFAWDR-HNNXBMFYSA-N 415.523 1.933 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1690669405 DLPCYUUBHQMAOS-INIZCTEOSA-N 402.543 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)OC)CC1 1690722778 VCSWPYIMSBEEPY-UHFFFAOYSA-N 419.507 1.330 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)(C)C 1690992964 CHOZZCAKNQSGEO-AWEZNQCLSA-N 412.498 1.684 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1697027408 ASGINFLKURZSML-DCOQFNDQSA-N 416.482 1.317 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1697381095 DVYVSVJAFOZHOI-SFHVURJKSA-N 408.466 1.444 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)C1 1698311283 POPXHVMICPIHOM-SJORKVTESA-N 422.555 1.194 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705530744 SUMBVQNDTIMVCI-MRXNPFEDSA-N 414.477 1.525 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705699536 IJRLQEKTUJWFCH-ATIFRJIPSA-N 419.526 1.451 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NCC)CC1 1705708339 BBDFZHAGERASTQ-WMZOPIPTSA-N 406.531 1.647 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(F)F)C1 1705907547 PUSRDEPFWSNBDZ-HNNXBMFYSA-N 407.469 1.923 30 10 HDEE Cc1nnc(N2Cc3ccccc3O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707874912 KIWJFIVWKAXBPS-BVGIJJTOSA-N 408.462 1.900 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnn2)CCO1 1712884717 QWNJQPJWSFBAST-AWEZNQCLSA-N 414.420 1.558 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722368688 UXILWNZIHSSTHN-DLBZAZTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1722414328 ZIGBNYSTBVNOEQ-CYBMUJFWSA-N 423.461 1.413 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CCC2)CC1 1722435598 LPLGOHZRUWHILH-SSEXGKCCSA-N 422.558 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(C(N)=O)nc2)CC1 1722443852 CJFAFIOBMXJCNB-HNNXBMFYSA-N 423.521 1.300 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCOCCN(C)C 1722468453 LNPHOVPPAACVHX-NHCUHLMSSA-N 405.543 1.501 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722492209 DMUGKJSRGIKFGO-KPFFTGBYSA-N 404.559 1.604 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1722604238 WNRFZLHCQCVSBJ-JKSUJKDBSA-N 410.540 1.926 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2COCCO2)C1 1722710471 JMHIUBUNGVJFIT-ABSDTBQOSA-N 408.499 1.127 30 10 HDEE CC(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 1722868163 AIGMOOJDCOQMQY-QZTJIDSGSA-N 417.558 1.353 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCCS1 1724039856 FKUCTZSXCSWZLU-KBRIMQKVSA-N 413.544 1.908 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CCO1 1729678419 CLLMESZUWACZQK-QGZVFWFLSA-N 407.434 1.113 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1730639288 PSGXAYYUUOVXEY-UWJYYQICSA-N 415.494 1.741 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\c1ccccc1 1740610494 CSINZDBIEJYXLO-YFWYWMRJSA-N 415.519 1.394 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1740627587 RBNLQXVNGJNNMI-MSOLQXFVSA-N 422.551 1.392 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccc(-n2cncn2)c1 1740652789 NBCZFIJPGPHLCM-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(c2ncccn2)CC1 1740767159 MZEDGZPHBXQOCI-HKUYNNGSSA-N 413.526 1.912 30 10 HDEE C=C(Cl)Cn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1740817343 YYOAMXRYHSBCRF-VQIMIIECSA-N 411.934 1.592 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(CS(C)(=O)=O)CC1 1744645716 IKMOAWFZSYUTJB-UHFFFAOYSA-N 416.507 1.200 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1747606628 BMEFXHSSIBCOBY-UHFFFAOYSA-N 408.553 1.562 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1748658974 ZLNFLFPXYPIWPE-OAHLLOKOSA-N 412.519 1.891 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1748679362 BMDJDCHRQXGGRY-IBGZPJMESA-N 424.549 1.522 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC(C)(C)C1 1748780683 HJGWPBZZYVYAIP-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)c2ccccc2)CC1 1748994292 XUUGVTOBGBDOFY-XMMPIXPASA-N 416.529 1.927 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCOCC(F)F)CC1 1749001356 QNNGGADPIHDRPJ-RDJZCZTQSA-N 413.469 1.039 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749020305 OWELPYDBHCLBQB-INIZCTEOSA-N 415.567 1.585 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749210324 HLDCBCDLJZNDSV-HZPDHXFCSA-N 404.515 1.256 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)C(=O)NCC2 1760097024 ZAMPJLLQQCHTFB-OAHLLOKOSA-N 422.533 1.989 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccccc1)N(C)C 1760118001 WQLQZOYRAKHMJD-QXAKKESOSA-N 415.563 1.941 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1F)[C@@H]1CCS(=O)(=O)C1 1760191832 ADQUXUYDKUXJRG-QGZVFWFLSA-N 420.510 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCn1cc(Br)cn1 1760205282 WININLHWGWQITI-UHFFFAOYSA-N 424.306 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1760219713 LNICNJIUSCOHDM-OALUTQOASA-N 424.526 1.647 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@]1(N2CCOCC2)CCSC1 1760248994 SUBPHXFNBSAILA-OAQYLSRUSA-N 419.595 1.840 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(N)=O)C1 1760324991 OEWKGEBBLPMBMY-LNLFQRSKSA-N 413.526 1.433 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2ccco2)C1 1760522398 SGHALANWFXJLSW-GJZGRUSLSA-N 419.507 1.069 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN1CCOC[C@H]1C 1760930162 HKGPFOCKKTWOPS-GOSISDBHSA-N 424.553 1.715 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1764544611 VAVRQIGTTLUXQS-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1765085057 GLJOZUIVOPZJJJ-NCOADZHNSA-N 407.540 1.735 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1769845070 GNPMWRVDYVLQIO-HOTGVXAUSA-N 411.528 1.116 30 10 HDEE CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1770410937 APQJLBNYZXFYCZ-WWGRRREGSA-N 400.574 1.770 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1770746567 BSGDAUCUODPQKG-QLFBSQMISA-N 414.432 1.395 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCOCC2)CCO1 1770747036 DXYJOBOPONLASY-ROUUACIJSA-N 404.515 1.361 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1770753811 NEEBGBDZDLIDHU-INIZCTEOSA-N 408.466 1.458 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CC[C@@H]2COCCO2)c1 1771530337 ICZMAZBGTCDFAT-GOSISDBHSA-N 410.478 1.324 30 10 HDEE Cc1cc(C)cc(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1848667731 RDQFQPWCYIRKDT-INIZCTEOSA-N 404.474 1.665 30 10 HDEE C[C@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)n1nnc2ccccc2c1=O 1849721348 VTJITLZNGVWZJV-OAHLLOKOSA-N 418.457 1.937 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)CNS(=O)(=O)c1ccc(Br)cc1)CC2 1851202932 AHZKHNDKFGHDRA-LBPRGKRZSA-N 412.309 1.880 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)n1 1851297161 UQOCFFTXSCFKTH-CYBMUJFWSA-N 412.400 1.328 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4ccccc4F)n3[nH]2)CC1=O 1852330235 CQPKUGBFOHOTPA-ZIAGYGMSSA-N 424.436 1.798 30 10 HDEE C=CCC(=O)O[C@@H]1C[C@@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 1852332176 FOXUCOBPCZQOKW-OCCSQVGLSA-N 413.448 1.128 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1 1852803966 XNFVALNXPCYHGI-OAHLLOKOSA-N 414.528 1.848 30 10 HDEE C=CCN1CCN(C(=O)CCON=C(N)c2ccc(OC(F)(F)F)cc2)CC1 1853475500 GCNMZMNTTBRUIQ-UHFFFAOYSA-N 400.401 1.942 30 10 HDEE C=CCN(Cc1cccc(S(=O)(=O)CC)c1)C(=O)c1cn(C[C@@H]2CCOC2)nn1 1853577885 KBNYJZYUKUJBRU-KRWDZBQOSA-N 418.519 1.937 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4ccccn4)C3=O)CC2)CC1 1853675472 HAJISAVHKFNVTG-LJQANCHMSA-N 409.490 1.297 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(C(F)(F)F)CC3)C2=O)CC1=O 1853812636 RZQGBXNRDWZEOB-ZFWWWQNUSA-N 401.429 1.813 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2=O)cc1C#N 1854037628 NBZJSGBLKXDKRX-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854289461 BWKJCCLNTWVPQT-CRAIPNDOSA-N 408.462 1.382 30 10 HDEE CCn1nc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1C 1854342702 YWIHWKUQCPEECF-SFHVURJKSA-N 408.462 1.373 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCN(c4ccccn4)CC3)C2=O)cc1 1854654577 NVEKQSZLAZLRTG-HXUWFJFHSA-N 403.486 1.836 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)COc3ccc(OCC)cc3)C(=O)C2)C1 1854841710 FGBXBCITRDXPJF-SFHVURJKSA-N 401.507 1.785 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)[C@H]2CC=CCC2)C1=O 1854881768 WEXDVJPTLOKWLW-QFBILLFUSA-N 408.506 1.733 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1 1855562729 GAGPWTXAOGNDMI-GOSISDBHSA-N 405.520 1.395 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(C[C@H]3COCCO3)C3(CCCC3)C2=O)cc1 1855648010 BHAMIXJBSSJUFF-FQEVSTJZSA-N 411.502 1.890 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856101568 WSRSQEGXFVDXPA-LSDHHAIUSA-N 419.503 1.103 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)CCOc2ccccc2)C2(CCCCC2)C1=O 1856840838 HAZOUTDHJOPJBX-UHFFFAOYSA-N 419.503 1.683 30 10 HDEE CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1857498154 BAOAPPRLZNTJLX-SFHVURJKSA-N 403.504 1.538 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)n2ccccc12 1858242595 BMYFRRRVPZSGQG-CQSZACIVSA-N 423.454 1.375 30 10 HDEE COc1ccc(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 1860734330 UZDSOBGQCGEFNJ-WEVVVXLNSA-N 404.444 1.250 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](CCSC)NC(=O)CC[C@@H]1CCS(=O)(=O)C1 1868819457 HZKBNGIEVLTOHP-HZPDHXFCSA-N 402.582 1.640 30 10 HDEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CCOC 1869929279 DYWJOCUBIYFQTO-PBHICJAKSA-N 411.524 1.261 30 10 HDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN1CCCC1=O 1869933444 HIIYFRNFWQOIFV-OAHLLOKOSA-N 406.508 1.023 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N(CCO)CCCC)ncnc21 1873594487 TZKZVQZLWUQWMW-UHFFFAOYSA-N 411.510 1.912 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2O)CC1=O 1874274542 RXMUXWBDFONWNP-FCQRQVBFSA-N 416.507 1.558 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C#N)(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 1884184017 GMGGSDBBSYPDAB-QKKBWIMNSA-N 415.446 1.563 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@H](CCS)C(=O)O)C1 2059761509 YTBPXTOSFGSXFA-QMTMVMCOSA-N 410.492 1.692 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2074667006 JBCMPNLDQIPBTK-KRWDZBQOSA-N 402.428 1.853 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCCO1 2174788469 FSTZUCBYEAPLON-CABCVRRESA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CCS)C(=O)O)[C@@H]2CCO[C@@H]2C1(C)C 2180242108 LDKVBNADTGAPAB-PAUBSPINSA-N 402.513 1.584 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NC[C@H](CC(=O)O)C(F)(F)F)C(F)(F)F 2180574555 LJOMFSWLDKJDJO-RNHFCUEFSA-N 406.201 1.755 30 10 HDEE CC1(C[S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2192674752 VBSLCASFAUNOBY-ZBSNKRKSSA-N 420.557 1.431 30 10 HDEE C#CCN(Cc1ccccc1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2243415154 PEKABQKQHSRQDJ-UHFFFAOYSA-N 415.324 1.543 30 10 HDEE COC(=O)[C@@H](CC(=O)NCC=CB1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243677814 AFCGXSUIQWWJCS-CYBMUJFWSA-N 412.292 1.747 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815051 WTHSQGTWFCSYKA-KWCYVHTRSA-N 418.303 1.447 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2247838508 IQGZNSLDZXGCSA-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247865156 QCCCVTFEKWFZOP-QWHCGFSZSA-N 422.287 1.601 30 10 HDEE CCn1cc(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247911609 XBVJBUKXYSOCTO-CYBMUJFWSA-N 422.335 1.845 30 10 HDEE Cn1nc(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)cc1B1OC(C)(C)C(C)(C)O1 2255840284 KIVMCYCBPMASSN-SBUREZEXSA-N 422.338 1.724 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)[C@@H](O)C(F)(F)F 2265291969 CURSQJWQVUCFQU-XLPZGREQSA-N 404.407 1.081 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281998148 LCKHLGHGCJXDPM-KPHLJTLVSA-N 400.737 1.873 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)N)C1 2282315649 QOYXTKCSKMRRKF-WCQYABFASA-N 400.375 1.714 30 10 HDEE CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329859 SCYNSTQNFHLUKB-KBPBESRZSA-N 400.375 1.808 30 10 HDEE COCCOCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330268 XJYPXQWTVIPLCE-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCS(C)(=O)=O 2282415514 IRCROZYERJPEGK-UHFFFAOYSA-N 423.387 1.069 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282419194 NPOVRQRKPRIQMA-RUZDIDTESA-N 406.310 1.388 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3(CCO)CC3)ccc2Cl)OC1(C)C 2282491627 OHXJEDNAOLVDIQ-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE C[C@H]1CC[C@@](O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491917 MSGQDAIEYYITFS-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCN)C2CCCC2)OC1(C)C 2282493031 RMJYLBFHLJEMKV-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE Cc1csc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)n1 2282500030 HJAAKMYDYHQAHS-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE CCNC1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282500439 YDKBWFXAOVFSOA-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE C[C@@H]1C[C@H](N)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282501478 XOPFDASYTCCGCD-OCCSQVGLSA-N 400.375 1.546 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@@H]2C2OCCO2)n1 2282596984 DVJLUDLDYWHMSI-OAHLLOKOSA-N 405.304 1.570 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282663557 RCQXUCUULNEFCJ-SANMLTNESA-N 401.359 1.481 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H](C)[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834734 XLZYMVPGPKNYFZ-SHZVTRLKSA-N 401.359 1.340 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282846868 QCJJTJZQKYWYOL-RUZDIDTESA-N 402.347 1.390 30 10 HDEE C[C@@H]1CCC[C@H](CN)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851635 FAWKEZFSAXPKPA-CHWSQXEVSA-N 400.375 1.938 30 10 HDEE CNC[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855451 DYDOXDWCSWXKGT-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877747 WILVAKMJVJNZJK-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE C[C@@H]1OC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282883399 ZYFOMZVCECEALN-MBNYWOFBSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3(C(=O)O)CC(O)C3)c2Cl)OC1(C)C 2284368068 HYPKGVSPTDEYNA-UHFFFAOYSA-N 401.677 1.409 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284397581 NLTCGHBMCWYBJX-UHFFFAOYSA-N 423.749 1.657 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284403375 PHOXNSZCLBSNRJ-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE C[C@H]1CC[C@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284411338 IZUSRPJZRWXCJM-CMPLNLGQSA-N 401.315 1.674 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2365200202 WLUJZBXWQJXVJF-DNVCBOLYSA-N 404.573 1.799 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](O)(CNC(=O)OC(C)(C)C)C1CC1 2367830354 IKEHGWHLOCXYOR-DNVCBOLYSA-N 400.541 1.211 30 10 HDEE CS[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2381820550 RXIIDBWAVVPZJY-QWHCGFSZSA-N 401.363 1.234 30 10 HDEE Cc1c(C(=O)N2CCOCC2)c(S(=O)(=O)Nc2cccc(C#N)c2)c(C)n1C 9685227 BPBYFDQSCCHPDN-UHFFFAOYSA-N 402.476 1.787 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)CCOc2ccc(Cl)cc2)CC1 27903512 RFANRBXITDSJPE-QGZVFWFLSA-N 422.957 1.486 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 30335758 UZRAQURYDOGKIU-OAHLLOKOSA-N 402.524 1.825 30 10 HDEE CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 55051825 JDTYVQSYWUYSSR-SFHVURJKSA-N 418.519 1.038 30 10 HDEE COCCn1cc(/C=N/Nc2nnc(SCc3ccc(OC)cc3)n2N)cn1 59914048 GMBUAVGUYWWWFE-DJKKODMXSA-N 402.484 1.582 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)N(Cc2ccccc2)[C@H](C)C2CC2)c1=O 61355538 OYWAURPVNHGPCM-QGZVFWFLSA-N 424.501 1.371 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@@H](C#N)[C@@H]3c3ccncc3)N2)CC1 72444667 JMEPSFJQOUBPNZ-GJZGRUSLSA-N 422.445 1.248 30 10 HDEE COc1cc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1OCC(N)=O 438601152 AETUZKPTEHWAFF-UHFFFAOYSA-N 424.457 1.946 30 10 HDEE N#Cc1nc(NCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1C(F)(F)F 443507881 HTOQCGYKDOMIOG-UHFFFAOYSA-N 415.353 2.271 30 10 HDEE CC(C)(CO)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 444696351 OFGNCTQTYWGTIW-UHFFFAOYSA-N 408.524 1.373 30 10 HDEE CCO[C@@H]1C[C@@](NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)(C(=O)OC)C1(C)C 444764044 AKNIQLZOKDHJTM-CSODHUTKSA-N 408.543 1.015 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446922393 YARMYWNGEKSUCF-HZMBPMFUSA-N 415.397 1.378 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)n(C)n1 446941481 KWVIBALNCSEOEK-DLBZAZTESA-N 423.525 1.279 30 10 HDEE CCOC(=O)c1c(NC(=O)NCc2cccnc2N(C)C)c(C#N)cn1CCOC 460135813 WNXGBVUYWBDBLM-UHFFFAOYSA-N 414.466 1.966 30 10 HDEE CCOc1ccc(NC(=O)c2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 474292077 LYVWOPWZCNOSMR-UHFFFAOYSA-N 416.459 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc(Cc3ccccc3F)s2)CC1 475278140 GQKLTTNUNBEARF-UHFFFAOYSA-N 402.495 1.933 30 10 HDEE COCCN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1ccnn1C 489851472 OUSVHLFXMMDKKD-GOSISDBHSA-N 416.551 1.339 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)CCN(Cc2ccccc2)CC1 498222381 SMRUJIIZQXDVKW-KDURUIRLSA-N 406.486 1.612 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2n[nH]c3ccc(I)cc23)CC1 503641957 JCOUCDFVFXDFLD-UHFFFAOYSA-N 423.214 1.366 30 10 HDEE COc1cc(C#N)ccc1CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506615315 YGNHXKYEYBSDHX-FQEVSTJZSA-N 422.533 1.922 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 508842853 ZTLNEMCRXZWOMJ-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 508918240 MISVSFZLVYUTLW-VBKZILBWSA-N 405.499 1.398 30 10 HDEE C=C(C)CN(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(CO)o1 512170991 VFBPXMHFFLPELI-QGZVFWFLSA-N 412.552 1.822 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 523814917 PVJAMZGVTVEGIU-FPOVZHCZSA-N 419.485 1.830 30 10 HDEE CN(Cc1cn(C)nc1C(F)(F)F)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N 539206417 KOYYGLXIMRBSJT-UHFFFAOYSA-N 411.388 1.859 30 10 HDEE Cc1ccncc1N1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 542705313 RCUIOXKKKMLDNW-FQEVSTJZSA-N 418.501 1.894 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 549298239 YAQHKPXXJHHFGH-OAHLLOKOSA-N 408.528 1.317 30 10 HDEE N#CCNC(=O)CNC(=O)c1cc(Br)cc(I)c1 561471451 CCRSTLPELYYUNN-UHFFFAOYSA-N 422.020 1.423 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 568818407 MQWHUOCCVNYCKO-UHFFFAOYSA-N 418.475 1.511 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)c1 582457166 CJKNLIRGLTVQKN-GOSISDBHSA-N 401.444 1.142 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N(CC#N)c2ccc3c(c2)N(C)C(=O)CO3)c1 586247456 GVRAYIUOUSOLHT-UHFFFAOYSA-N 417.443 1.778 30 10 HDEE N#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 609456587 DULOIZSCWCFGKQ-KSZLIROESA-N 403.504 1.284 30 10 HDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 619843707 QMDDBKHUEYCWGT-CYBMUJFWSA-N 400.826 1.073 30 10 HDEE C#Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 729029740 GJRJKCXBVHXPPT-STQMWFEESA-N 401.444 1.133 30 10 HDEE C#CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 729332357 YACIGGMAWSWSJZ-WBVHZDCISA-N 408.545 1.704 30 10 HDEE C[C@H](Sc1ncccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCCC1 732649324 FSCRMDFQJQOBCN-DOTOQJQBSA-N 413.547 1.997 30 10 HDEE C#CC(C)(C)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 733978700 QQVBHESPIJWYOZ-UHFFFAOYSA-N 401.282 1.330 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)NC(=O)OCc1ccccc1 734292907 KCTYOIKTSBZKMG-AWEZNQCLSA-N 401.444 1.987 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 743727187 DEBOJQKALYOHOV-UHFFFAOYSA-N 424.551 1.751 30 10 HDEE CC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 749481327 MSABLZRSUXNAJK-HNNXBMFYSA-N 402.432 1.901 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CCN1C1CC1 750292551 UJGHAKYPUOPHAR-GOSISDBHSA-N 424.530 1.955 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(CC3CC3)nn2-c2ccccc2)CCN1C1CC1 768067088 DSKDVDJVBKHJMY-HXUWFJFHSA-N 418.501 1.962 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 773574279 MZBMHINRSDLPNT-DOTOQJQBSA-N 400.483 1.652 30 10 HDEE C[C@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N1CCN(c2ncccn2)CC1 777174305 QCRFNRYHKRYOBT-INIZCTEOSA-N 405.458 1.926 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)NCC2CC2)ccc1C)[C@@H]1CCS(=O)(=O)C1 784477164 UOXABWGEHVCALB-QGZVFWFLSA-N 403.504 1.789 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)N2CCN(c3ccccn3)CC2)n1 789322430 INTSZOIMQXMULY-LJQANCHMSA-N 410.522 1.097 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O)c1cc[nH]n1 789978621 MGLXGFQGMOXETP-MRXNPFEDSA-N 413.434 1.005 30 10 HDEE CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1OC 793368380 WCRXJMLUCWQUOY-UHFFFAOYSA-N 410.477 1.833 30 10 HDEE COC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1 793393488 AOLUEUBFRCHGIO-UHFFFAOYSA-N 403.416 1.417 30 10 HDEE N#C[C@H](C(=O)/C=C/Sc1cc(F)ccc1F)C(=O)N1CCS(=O)(=O)CC1 797949567 XHSZTFIEYMQMBX-MJRJWQSSSA-N 400.428 1.536 30 10 HDEE C=CCN1CC[C@H](OC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)(F)F)C1=O 798637146 RBAITXYKLLYOBT-QMMMGPOBSA-N 415.290 1.857 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 802625183 DHIQNXBTBVFXTA-RKVPGOIHSA-N 401.463 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 809387376 ADEYAVSRCUIFCH-UHFFFAOYSA-N 420.535 1.625 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@H](Oc2ccccc2C#N)C(C)C)nn1 811091473 CBLYCCSWPKHUMC-BHIYHBOVSA-N 400.435 1.883 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC2(CCCOC2)C1 813816981 UGVXVQWKZGXZCA-MRXNPFEDSA-N 405.520 1.779 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](OCC)[C@H]2n2cccn2)ccc1F 819391229 IFJNXKNEMLOIHI-RYRKJORJSA-N 422.482 1.635 30 10 HDEE CC(=O)Nc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1 917795777 WOLSHUYMTXJVLG-UHFFFAOYSA-N 411.446 1.756 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Nc2cccnc2)n[nH]1 1084020157 POJUWXGYHPDPFW-UHFFFAOYSA-N 415.483 1.182 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1cnn(C)c1 1127911276 BJOSUWXONVPNFY-KRWDZBQOSA-N 404.434 1.106 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])n1 1128671832 FDCFNMJMNKLJNO-UHFFFAOYSA-N 420.447 1.117 30 10 HDEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1132307751 SQASENDFBZHBAF-DYESRHJHSA-N 401.463 1.892 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(CC(=O)N2CCc3ccccc32)CC1 1136275993 CKNUOAJPUXSVLT-UHFFFAOYSA-N 403.482 1.378 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1153858813 KSSKTDJHDLAKAO-KGLIPLIRSA-N 410.515 1.572 30 10 HDEE Cn1nccc1[C@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1158229518 BUYSOIFLBQCJCO-SJLPKXTDSA-N 402.476 1.243 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCn4cc([N+](=O)[O-])cn4)CC3)n[nH]2)cc1 1165558660 HXVJHLZOOSBHAO-UHFFFAOYSA-N 420.433 1.792 30 10 HDEE N#Cc1ccnc(C(=O)N2CCC(n3nncc3I)CC2)c1 1166781367 NRJJDGZHGVZGNJ-UHFFFAOYSA-N 408.203 1.627 30 10 HDEE N#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1177388854 FIEUEMRBDPWPNE-HNNXBMFYSA-N 419.503 1.621 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)c1 1194241689 FZXRQRJJOTUUEF-GOSISDBHSA-N 418.471 1.501 30 10 HDEE CNC(=O)COc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)c(C)c1 1204214491 BRQAVFLHFSZRDA-UHFFFAOYSA-N 408.462 1.741 30 10 HDEE C#CCN(C(=O)NCC(C)(C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1229093778 DZZUTWSUZUDELJ-UHFFFAOYSA-N 415.556 1.854 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](O)C1 1259113878 AWVHJRBNLYGYGA-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(C)COCCO1 1286283287 QXGRRHGVOCESOI-YWZLYKJASA-N 408.466 1.184 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)nc1 1286298733 OFEXLBLRMSCUDU-XJKSGUPXSA-N 416.507 1.040 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1286304797 JOSJYMGMUSTGOL-ARFHVFGLSA-N 411.572 1.594 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1nccnc1C 1286371091 ZFAZVCPBINPNEX-UHFFFAOYSA-N 424.534 1.649 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1286384311 HPXWDPMFJXBZAE-HNNXBMFYSA-N 409.556 1.117 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1286407859 TYSSOWJAGUFBSA-UHFFFAOYSA-N 417.473 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OCC)c1 1286408208 ACNUQBOWZYBJST-SFHVURJKSA-N 412.515 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ncnn1-c1ccccc1 1286412407 ALFQVRHDWUHRGS-GOSISDBHSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(OCC(N)=O)c1 1286428694 FMFGXOGICQIOJH-FQEVSTJZSA-N 421.501 1.895 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@H]2CCOC[C@H]2OC)CC1 1286476493 YAQGQGSAAKZXFK-YLJYHZDGSA-N 413.497 1.891 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286688850 ZNDMIDVPJCVRIG-GJZGRUSLSA-N 415.498 1.058 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286712886 NQHNALLEZRBDJK-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccccn2)C1 1286809245 HQLBIOCSWNXXOY-AEFFLSMTSA-N 417.535 1.599 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286824771 ILJOHQSWBNDKHQ-JKSUJKDBSA-N 409.556 1.673 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)CC1CC1 1288097689 DJIAEOQGQBYHHB-UHFFFAOYSA-N 422.555 1.371 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC[C@H]1C[C@H](F)C1 1288161179 ZWVWORSNOJLJFP-BFYDXBDKSA-N 403.506 1.731 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCO1 1288356898 AOIAOFUVJTUGIR-SJORKVTESA-N 414.466 1.372 30 10 HDEE COc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)NC1CCCC1 1289339673 WVFQFJVSMCCNRL-LJQANCHMSA-N 407.492 1.671 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCO[C@H](C)C1 1291022106 BPXZXHQLRCIERV-HLLBOEOZSA-N 424.571 1.833 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC(=O)N1C 1291218747 YZPPFICEXVWYAN-MAUKXSAKSA-N 410.478 1.289 30 10 HDEE CCc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1292457554 HUGQYZQTPQGHEU-QRWLVFNGSA-N 417.535 1.653 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1294754120 BLIWWYLKWQAGGL-ULQDDVLXSA-N 408.572 1.650 30 10 HDEE Cc1c(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cnn1CCC#N 1295198906 OSMZJLZSXRZXJZ-OALUTQOASA-N 406.490 1.434 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)COC2CN(C(=O)OC(C)(C)C)C2)n1 1297350909 ZCDIGETXSVVBFB-UHFFFAOYSA-N 406.483 1.127 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1300465540 OQCMLIGNOPDESR-QGZVFWFLSA-N 421.498 1.176 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300495668 JGPCITNHDXKGLY-GJYPPUQNSA-N 410.540 1.307 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1300631121 LPGWSPWHTFZECH-HNNXBMFYSA-N 409.537 1.180 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC2CCCCC2)CC1 1300696098 TWTPOAQDGFNGRN-UHFFFAOYSA-N 424.553 1.273 30 10 HDEE COCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1300939465 BVBMFZLNSXXKKS-CYBMUJFWSA-N 402.455 1.407 30 10 HDEE C=CCCOCCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301262705 YTGDSYRRNHAFPJ-HXUWFJFHSA-N 407.515 1.238 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncccc2F)CC1 1301478970 RWIYCWVZSSCTDK-OAHLLOKOSA-N 401.490 1.955 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CCC2)C1 1301536440 WIRZQFGBGZRFCY-GUNSETOZSA-N 421.567 1.597 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC=CCO2)C1 1301540108 ZIZDRQTTWZBGAI-ARFHVFGLSA-N 411.528 1.015 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1302052327 MIIFRBVFEXZPJY-IFXJQAMLSA-N 402.503 1.801 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1302831518 CPNFFTSMBXTQCA-XOBRGWDASA-N 412.483 1.753 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)CCCN2C 1303411002 DLUFBXLQLZDPKW-GOSISDBHSA-N 423.521 1.576 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 1303787919 IHPRAWJBPOQIKC-UHFFFAOYSA-N 407.264 1.975 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@H]1c1ncc(Br)cn1 1303920884 VVRIFYXCWSXXLJ-FUYOWACXSA-N 420.267 1.819 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2ncccc2F)C1 1303932901 BMXSNXDNNHTWOO-MGPUTAFESA-N 413.457 1.972 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCOCC2)c1 1304511772 BCFNCPLYCKWMHI-SFHVURJKSA-N 413.478 1.436 30 10 HDEE CCc1nnc(N(C)CC2COC(C)(C)OC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306085447 IENDDNMMGZETND-ISLYRVAYSA-N 418.498 1.202 30 10 HDEE CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)c2c(C)cc(F)cc2C#N)cc1 1309085322 DWWRBRKACGPIMZ-LBPRGKRZSA-N 411.480 1.953 30 10 HDEE CN1CCN(c2nnc(CCOc3ccccc3)n2Cc2ccc(C#N)o2)CC1=O 1314930526 PENJHOCLGVXTEW-UHFFFAOYSA-N 406.446 1.691 30 10 HDEE N#CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(O)CCOCC2)CC1 1316533181 GUBVGXNJYOOHIN-UHFFFAOYSA-N 411.466 1.207 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)CC1 1316536006 KATNKQRNDMTHET-SJORKVTESA-N 405.524 1.655 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)CC2=O)cc1 1328526304 PLXAYSGIJJYUBQ-YZGWKJHDSA-N 417.469 1.288 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCN(C)C1 1358973722 CROFHCKUWXUDTN-HSZRJFAPSA-N 400.486 1.633 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1359113416 INDOCHOZGUNNCX-HNNXBMFYSA-N 411.528 1.425 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 1359203383 OGCALDISWCRXPQ-OAHLLOKOSA-N 413.544 1.192 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1359208049 DNELWLJDOGRMRY-HUUCEWRRSA-N 408.532 1.288 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359215735 INGQWLUCDOZOMW-MSOLQXFVSA-N 423.583 1.305 30 10 HDEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1359244139 RMACMRHSQYVGJJ-LJQANCHMSA-N 406.508 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1359330297 NMRJWEJIJQDRKF-YJBOKZPZSA-N 417.535 1.945 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1360475970 GCGZPXSCLKOCBZ-LSDHHAIUSA-N 410.544 1.540 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1360784873 LKJAXNAADHZNSY-VQIMIIECSA-N 405.524 1.657 30 10 HDEE C[C@]1(C#N)CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCO1 1439704562 ALHUAFXUFCSASP-KDOFPFPSSA-N 422.463 1.137 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cccc(C(N)=O)c2)s1 1442930442 XBLQIACKUPVNIX-UHFFFAOYSA-N 407.517 1.213 30 10 HDEE Cc1cc(NCCNC(=O)CCC(=O)N(CCC#N)c2ccccc2)n2ncnc2n1 1445094744 RYTQIGJFJKBLSC-UHFFFAOYSA-N 420.477 1.688 30 10 HDEE CCOC(=O)N1[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC[C@@H]1c1ccc(C)o1 1445692547 SDJVWZZSHJJGAH-CVEARBPZSA-N 402.451 1.835 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1OC 1450901745 VDTVEDUKDOLNGB-IAGOWNOFSA-N 419.478 1.341 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)cc1 1454264232 KLSREZQSGDFJLT-IBGZPJMESA-N 417.506 1.947 30 10 HDEE C[C@H]1CN(c2ccnc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)c2)C[C@H](C)O1 1454630633 CLKUKEPDUFBDGE-KBPBESRZSA-N 411.466 1.379 30 10 HDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1455604062 GXYYQRXDNIPJEC-FZFLATATSA-N 411.414 1.550 30 10 HDEE C#CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1466979002 NZGPEPNSWZHERY-UHFFFAOYSA-N 421.862 1.368 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(I)cc2N)CC1 1467453078 UGWUZVXGQFJLJC-UHFFFAOYSA-N 411.243 1.475 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1468373888 RQWUJGXKFAGRGS-VXNVDRBHSA-N 416.219 1.810 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1470730919 XZQPGDIUGZKXLT-UHFFFAOYSA-N 404.414 1.625 30 10 HDEE C[C@H](CC(=O)N[C@H]1Cc2ccccc2NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1471011213 KKONLFBJCFQLSD-WBMJQRKESA-N 412.471 1.183 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1471225607 SWDKEHSIDITLNI-IRXDYDNUSA-N 409.527 1.866 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CS(=O)(=O)Cc1ccc(Br)cc1 1471251892 KONKYSNIXUUNMF-UHFFFAOYSA-N 417.281 1.279 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1 1471929674 ONONIKHZNBQIET-RNKNFESXSA-N 406.504 1.301 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)Cc1cc(C#N)ccc1F 1475729184 FFAKXPOHLLAEFE-HZPDHXFCSA-N 413.471 1.751 30 10 HDEE C#CC[C@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1478521230 ULJKSSHFOUNMAY-KGLIPLIRSA-N 422.448 1.153 30 10 HDEE CCN1CCN(CCCCn2c(N3CCO[C@@H](C#N)C3)nnc2C(C)(C)C)CC1 1502352601 INAMWAXDIZMYSH-SFHVURJKSA-N 403.575 1.722 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(C)CCCO1 1503102872 DTEFIIFSCBEPLN-NRFANRHFSA-N 411.510 1.977 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1503292055 OLIKGLQLKDEOIY-RBSBEOHCSA-N 417.535 1.827 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1507517512 IGEQVPQSIRIXIX-UTKZUKDTSA-N 405.543 1.235 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1507519556 SLAQAVGYKFQPAA-HRAATJIYSA-N 403.527 1.837 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1507613294 YGEBXFOWOYHPDG-UHFFFAOYSA-N 403.450 1.036 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(CC(C)C)C1 1507679877 SMBXZWGNCHTMTG-QZTJIDSGSA-N 424.615 1.716 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1C(C)(C)C 1508099044 TXNWOMOVDWTRGS-UHFFFAOYSA-N 419.599 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1CSC 1508140948 RIBCCICZTMVNRV-CQSZACIVSA-N 408.553 1.668 30 10 HDEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)c(=O)n1C 1510878410 AZQHCKSSWXUXCQ-HRAATJIYSA-N 409.494 1.415 30 10 HDEE CCC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514253528 JMILVNMYTOZVLS-NRFANRHFSA-N 422.493 1.765 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1518779430 YEFOKANHXKBZHD-YOEHRIQHSA-N 405.430 1.579 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1521063336 PHZHGKHYAKRFKG-ABAIWWIYSA-N 407.418 1.251 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2cnnn2)CCO1 1521129714 NJJVIMHCMLUMJX-ZDUSSCGKSA-N 417.836 1.543 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537825110 WHSRUTWENWKAFC-DOTOQJQBSA-N 408.476 1.605 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nnn(C)n1 1539035898 VEMHGBJROWWLAA-KBPBESRZSA-N 415.502 1.380 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1539062449 AQRQBYGGPZFJHP-UHFFFAOYSA-N 408.510 1.923 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1539062662 DFYGCEBYSFZPPK-UHFFFAOYSA-N 417.539 1.399 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1539168022 OKXCJZMGOHHRPV-HNNXBMFYSA-N 409.416 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1CCC(=O)NC 1539246169 JGOKUOJSEBTWEH-UHFFFAOYSA-N 406.309 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNC(=O)C(C)C 1539319745 FFHWUSNEXDOWFD-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1539343105 DUUNGLXFOWXRCN-YWZLYKJASA-N 417.535 1.182 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1539417735 RPMJRFFNFZYUHV-KRWDZBQOSA-N 420.510 1.529 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2nncn2C)CC1 1539463193 WZMJRWPCGXRCDM-UHFFFAOYSA-N 422.562 1.811 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H]1CCCCO1 1539496989 JBFRYANFJWKKGQ-LSDHHAIUSA-N 415.585 1.260 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1539999107 XIPNEMQQVVIREH-CHWSQXEVSA-N 414.432 1.700 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1540870434 NDTGPHXUDQLEOC-OAHLLOKOSA-N 404.515 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2CCOC[C@@H]2C1 1540902970 VEWCGCSNLLLAMO-KRWDZBQOSA-N 409.556 1.057 30 10 HDEE CC(C)(C)[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1541167596 IXMHFIPTXHZNPD-GWOGKKTRSA-N 414.510 1.933 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1541604711 FHYWVPHLTDAWHL-GOSISDBHSA-N 409.494 1.798 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCCS1 1541934884 GWBPJFWRHHHION-VBQJREDUSA-N 412.585 1.914 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC(=O)N2)cc1 1543335536 KYCIZSHBXPOJIJ-AKKXKAEUSA-N 406.508 1.887 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCCNc2ncccc2C#N)C1 1544055287 IHWMHTIZYAJZCW-HXUWFJFHSA-N 403.483 1.633 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2COc3ccccc3C2=O)s1 1545811541 YIQZTQDBIADXAB-AWEZNQCLSA-N 406.485 1.515 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1554379237 DGQOERJCVGWEIP-HOTGVXAUSA-N 404.515 1.514 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1554516706 HKTIDENKTPSHNJ-QGZVFWFLSA-N 410.478 1.731 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1555474517 RGRDSISAOVIGKR-KRWDZBQOSA-N 412.494 1.857 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccccn2)nnc1N1CCCOCC1 1556023001 QFWZYVWAYHVWSH-FMQUCBEESA-N 423.477 1.017 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H](c2cc(O)nc(O)n2)C1 1557318515 HZYAXLKVOYZRFR-SNVBAGLBSA-N 419.235 1.917 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1558110336 NWZJFAHSFWPWFS-ZHALLVOQSA-N 410.536 1.377 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(F)(F)F)nc1Cl 1561149390 SSUWUHQJHCTXEU-VIFPVBQESA-N 416.830 1.565 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2 1561956811 CLGFGYGJVMVDNV-UHFFFAOYSA-N 403.548 1.352 30 10 HDEE N#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1c(Cl)cccc1Cl 1565586748 FNQNZVZKSZZFHP-LLVKDONJSA-N 408.249 1.592 30 10 HDEE N#CCN1CCN(C(=O)c2cc(S(=O)(=O)NCc3ccccc3)ccc2O)CC1 1565814759 HUFXBZLEXJKYBY-UHFFFAOYSA-N 414.487 1.152 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(NC(N)=O)CC2)C1 1566095070 TWCMZHGBGHLHBN-UHFFFAOYSA-N 406.284 1.416 30 10 HDEE O=C(CCOc1cccc(I)c1)N[C@@H]1CCCN(O)C1=O 1569676625 WRHVLLKWSFDQNL-GFCCVEGCSA-N 404.204 1.557 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CN(C)CCN1C 1586538340 GAEBGWQVQLKGHS-FZKQIMNGSA-N 420.355 1.507 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1587620633 IKZFXAAWXXTMNK-SMASLZHESA-N 422.489 1.190 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC(=O)N1CCOCC1 1587926901 LMMKUXOVIZCGNL-UHFFFAOYSA-N 419.432 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)c1occc1C 1587975341 YEZDZEWNWGZXTK-UHFFFAOYSA-N 424.461 1.797 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1588011577 FXTHZSOUJYPHHU-QFIPXVFZSA-N 404.474 1.809 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1588019993 BFCZKWWRCUTGQQ-HNNXBMFYSA-N 400.487 1.711 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065426 YIBVITBDLXOVFY-IEBWSBKVSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(C)C)cc1C 1588158978 NUBNAYAPXFVOMA-UHFFFAOYSA-N 404.518 1.896 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCOC[C@@H]1OC 1588258725 IAKJIINPTHJTFQ-MUGJNUQGSA-N 416.522 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)N(C)C)CC1 1588954243 BUEYFMSBPHUSEZ-INIZCTEOSA-N 414.579 1.846 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1 1589599852 NUQRUQFRRRTVBS-RTWAWAEBSA-N 407.559 1.788 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1593763341 HHGDZAAFJPSFOV-RTBURBONSA-N 418.542 1.973 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@@H]2C1 1594497796 MJKLTIVBXZPHQP-IRXDYDNUSA-N 423.583 1.303 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCOC[C@H]2OC)C1 1595715076 RUMVNHYWWBTRGA-LZLYRXPVSA-N 400.483 1.568 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1597831557 CJCMSKUWEUPWCZ-GOSISDBHSA-N 424.505 1.920 30 10 HDEE CCOc1ccccc1[C@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(C)=O 1611159703 NZPODDRRXKCVNG-KNBMTAEXSA-N 419.503 1.049 30 10 HDEE Cc1c(Br)cnn1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1611245284 OODZRQLWYUXRFN-YPMHNXCESA-N 412.288 1.829 30 10 HDEE Cc1nnc(N(C)C[C@@H](C)c2nccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1612534627 MIHPVRMCZORDBI-IUDBQGPFSA-N 401.496 1.809 30 10 HDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H]1C 1615871674 FBOTXODBOUBMEX-MRXNPFEDSA-N 421.509 1.436 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1616185908 LYVGTSLVHOEZAQ-FXAWDEMLSA-N 405.499 1.476 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCOCC1 1617845418 FNBPDYUGLUBMNM-XZOQPEGZSA-N 412.578 1.950 30 10 HDEE CO[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619504562 VCXVPPFXNGTALU-MJWGMMHASA-N 400.483 1.372 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1619616033 OHEDYAMCHHUYIT-SFHVURJKSA-N 424.484 1.861 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCC[C@@H]1C 1620024157 DUKZVNORUWELQM-OTWHNJEPSA-N 420.558 1.995 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(OC)c1 1620111438 VAKAEQJTHXPHBR-UHOSZYNNSA-N 413.478 1.788 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1620175842 AUTLODRIBJKNBR-MRXNPFEDSA-N 412.878 1.590 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN[C@H](CO)c1ccccc1I 1620653873 RFSCHOLLMAMJPZ-SWLSCSKDSA-N 415.275 1.922 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O)C(=O)OCC 1622450701 XXJSOWKPOSXSHA-ZDUSSCGKSA-N 400.840 1.265 30 10 HDEE COC(=O)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccccc1OC 1623580998 RFCRRDZYEDTOGU-DNTCVELPSA-N 415.446 1.060 30 10 HDEE Cc1cc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccc1-n1cnnn1 1624145254 KAVWJQMEWQNEGU-UHFFFAOYSA-N 400.395 1.659 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc21 1624820088 WHHRGRXSLPIZBE-GOEBONIOSA-N 406.504 1.980 30 10 HDEE COc1c(F)cc(CC(=O)NCc2cc(F)c(C#N)c(F)c2)cc1S(N)(=O)=O 1625871736 SLVIIQMXZJOMKC-UHFFFAOYSA-N 413.377 1.490 30 10 HDEE N#Cc1cn(CC(=O)N2CCC(COc3ccc(Cl)nc3)CC2)c(=O)nc1O 1626631783 LHFQPPZTCDHZQV-UHFFFAOYSA-N 403.826 1.187 30 10 HDEE N#CC1(CC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CCOCC1 1630300896 RSYREWSXNYTMMJ-QGZVFWFLSA-N 421.519 1.471 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1630401681 LDASTWTXYIYNPU-PBHICJAKSA-N 410.923 1.745 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1CS[C@H](Cc2ccccc2F)C(=O)N1)C(=O)OC 1634884602 KRRXFDVIIMFVCR-GVDBMIGSSA-N 408.495 1.983 30 10 HDEE C#CCC1(NC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CCOCC1 1635116019 IQMGGYIQCQUALI-UHFFFAOYSA-N 415.309 1.707 30 10 HDEE CC(C)(C)OC(=O)N1CCCCC[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697434 MUNZMUWPSSMARM-DOXZYTNZSA-N 411.524 1.563 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CSC(c2ccccc2O)=N1 1636270359 DXLOWRCUIIXPRL-CJNGLKHVSA-N 408.487 1.653 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)NCc3cncc(C#N)c3)CC2=O)cc1OC 1638830459 ASEIOQFKCIIYEU-SFHVURJKSA-N 408.458 1.678 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)ccc1F 1639237049 JHJXZQUFYRTBDX-CYBMUJFWSA-N 409.443 1.190 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3nc(C(C)(C)C)cc3C2)cc1 1639872189 QOPQVOCVAJKPNF-UHFFFAOYSA-N 400.504 1.748 30 10 HDEE COC(=O)[C@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)c1ccnn1C 1639880021 FCFRHDHKHCGMPD-QGZVFWFLSA-N 404.467 1.401 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1640186909 RSLALAJSMATTQQ-WMLDXEAASA-N 410.923 1.745 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1(C)CCC2(CC1)OCCO2 1640456423 WFYFXZACCHWDQB-CQSZACIVSA-N 407.492 1.417 30 10 HDEE COC(=O)c1nc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)cs1 1641513639 MUEZBJLURWCMFM-UHFFFAOYSA-N 411.237 1.726 30 10 HDEE COCCCCN(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1643462695 SRPRPKAERRQOCY-UHFFFAOYSA-N 401.467 1.813 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)CC1 1644429639 XVDCXAOTGNBUSK-UHFFFAOYSA-N 421.563 1.215 30 10 HDEE C=CCC1(O)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 1644943224 UJTJDTYQXMVGEU-UHFFFAOYSA-N 414.549 1.241 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cc(F)cc(F)c1 1651221179 QTBYZHGGWIVUDF-UHFFFAOYSA-N 417.368 1.599 30 10 HDEE COC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Cl)c1 1651352486 FYDHNCVBPATRSL-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1 1653300467 NIYASFGXYAHPNE-UHFFFAOYSA-N 420.512 1.372 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)nc1F 1653725137 DGRPYBUEMGDWTQ-VIFPVBQESA-N 413.290 1.347 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C(F)(F)F)ccc2F)CC1 1658955753 ZHXDLBSTCRPWMA-UHFFFAOYSA-N 408.377 1.462 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)cc1 1659576013 IBCPNLCZMOFVQR-UHFFFAOYSA-N 408.501 1.071 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)cc1 1660070142 BMDMJXQCADKRAT-QRVBRYPASA-N 419.547 1.464 30 10 HDEE CNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1664231701 HSVCMYWFJYIQRP-LBPRGKRZSA-N 406.327 1.467 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1665797480 YTUMJSZMPNGTAQ-SGANQWHYSA-N 403.526 1.722 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F 1670972042 XTQABMCLZUDIPF-LLVKDONJSA-N 417.450 1.732 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 1671280182 STWUQLNHVGRJND-OAQYLSRUSA-N 414.462 1.892 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)C1 1684083152 PVLPLWUUBHSDJM-IRXDYDNUSA-N 419.323 1.729 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1686036003 MONQSFHGVUPGQS-MJKGWSOKSA-N 402.520 1.087 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)C1 1687593628 VMELUHXXGAPNDO-DOTOQJQBSA-N 424.423 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1ccc(OCCO)c(OC)c1 1690011324 KRQCLSHJLDRTAR-UHFFFAOYSA-N 419.485 1.784 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCN(C)C1 1690040609 IVDSBDSWEFDCTQ-QFIPXVFZSA-N 407.474 1.203 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(N(C)C)CCOCC1 1690049732 DUZHATJRAWZTPN-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NCCC 1690066625 KNINZUUUOWMWPC-UHFFFAOYSA-N 407.482 1.297 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)C(C)(C)C)CC1 1690136848 KMGLKMCAXQXXCS-UHFFFAOYSA-N 402.543 1.530 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCc2c(ccnc2O)C1 1690154446 OLBGVHDUADCFFN-UHFFFAOYSA-N 400.508 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1690670972 MROKXLHLCILDQG-IAGOWNOFSA-N 418.542 1.707 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690672774 CTGNBGIFYIVLQV-IEBWSBKVSA-N 413.522 1.720 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690683597 OXVBSGIVXGOCTB-UHFFFAOYSA-N 424.549 1.854 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2COCCO2)C1 1690687542 DHOYJWRPUKWWGS-WAOWUJCRSA-N 422.526 1.515 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)N(C)C)C1 1690712375 UVJOFICOFYMGSZ-QGZVFWFLSA-N 401.515 1.399 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690735876 LIJAVVIHYDRVHW-UHFFFAOYSA-N 405.528 1.563 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1697682517 XYEWEGNVAZLEEL-MLQXJZLRSA-N 400.483 1.543 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1705491059 XAZBUXLZIKWPPF-HOTGVXAUSA-N 422.489 1.455 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705549455 VZAGEQVWZLJNQY-UHFFFAOYSA-N 409.494 1.608 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(-n2cncn2)nc1 1705581877 NDBQIDZTMWXFKX-SFHVURJKSA-N 402.462 1.617 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCCC2)nc1 1705625950 CHBUJFJIXAEDPE-UHFFFAOYSA-N 420.521 1.808 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1705661852 KGVHUKOSMNZXIL-IKGGRYGDSA-N 424.592 1.552 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(C)C1 1705680993 KUMWJEJIEDGLHQ-LBPRGKRZSA-N 404.334 1.953 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(=O)NCC)CCC1 1705838460 PZGTWWUILJCFOP-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCN(CCOC)c1nnc(CC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705885361 PAXWLVOKACGWHI-IAGOWNOFSA-N 411.572 1.684 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705896893 BDOYWFHBWXAJLL-OTWHNJEPSA-N 422.533 1.837 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705903635 ZDSFJECOJNQNGQ-KSZLIROESA-N 420.558 1.367 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(C)C)C1 1705937475 UTUCWXCPUKMPKD-SFHVURJKSA-N 419.551 1.726 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1706748987 NKMSFLGOPIKOFY-CYBMUJFWSA-N 403.512 1.501 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708073049 JWYSGHFCMJVHFW-UFOSLELVSA-N 410.482 1.441 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1710994433 HQMFYEOMVUFLTP-BZUAXINKSA-N 415.523 1.322 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCC[C@@H]1NC(=O)NC1=O 1722343104 GXMVTAPGLKJACZ-HNNXBMFYSA-N 418.461 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1Cc1cccc(S(=O)(=O)NC)c1 1722376161 WWQZRJMWGCLAFD-UHFFFAOYSA-N 423.498 1.876 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO 1722402725 OZKAYCABEGJNTO-KRWDZBQOSA-N 411.510 1.232 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1722417757 RSUFLLBYPUAJSF-UHFFFAOYSA-N 412.469 1.429 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(C[S@@](C)=O)cc2)CC1 1722439986 XSCLCXAXAAXISK-GDLZYMKVSA-N 411.575 1.913 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)N(C)C2CC2)CC1 1722450961 UXNCOHJZSCRPDJ-MRXNPFEDSA-N 402.543 1.263 30 10 HDEE C=CCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722622416 JIYULTGIFQQZIJ-APWZRJJASA-N 412.556 1.908 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(NC(N)=O)cc1 1722631047 AZJIHYPUKGZUED-GFCCVEGCSA-N 407.500 1.049 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1)C1CC1 1722647030 PJMLMVWBMZXGRY-INIZCTEOSA-N 410.588 1.775 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722680633 UBZHGUZVFNZRHQ-UTKZUKDTSA-N 419.526 1.377 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(c2nc(CC)ns2)CC1 1722690205 GWASFGLUUNJDPW-UHFFFAOYSA-N 418.571 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(Cn2cccn2)CC1 1722726286 BBCHHWZACXWSLV-UHFFFAOYSA-N 404.540 1.869 30 10 HDEE CC(C)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCO1 1723225200 LMHYQWUTHGMRSV-GOSISDBHSA-N 407.482 1.755 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cccnc2)CC1=O 1729602736 IAKRHXDCLYYXRE-UHFFFAOYSA-N 417.473 1.645 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC1(O)CCC1 1730871726 WLXGBXBVWUAENZ-FUHWJXTLSA-N 418.542 1.484 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1740623793 AXULCYNXYTZDSB-KRWDZBQOSA-N 415.519 1.309 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1740630739 LBIZYCKHFQSREJ-INIZCTEOSA-N 415.519 1.212 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740663124 ZNKFBCIXWDUVMH-GOSISDBHSA-N 408.911 1.608 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740710064 PXINNRSDGVDXAW-JENIJYKNSA-N 415.538 1.911 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(CN(C)C(C)C)CC1 1740960637 WQKZAJJCKWTTAO-SFHVURJKSA-N 404.559 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCN(CC)CC2)C1 1740980812 NAFKGRNNEKTRMU-VQTJNVASSA-N 418.586 1.591 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1CCNS(C)(=O)=O 1748775731 SIVVFASVUBOHFW-UHFFFAOYSA-N 418.342 1.388 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812549 WBLDMPRCUGXBRQ-RYRKJORJSA-N 419.551 1.961 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1748826255 PUVHWUFCNHKZFD-MSOLQXFVSA-N 420.583 1.083 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)CC1 1749286113 FSUPUIUPTPZRQA-PTFIGZPYSA-N 415.585 1.346 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1749454440 FZGCHSMHYXTFNR-UHFFFAOYSA-N 408.528 1.285 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1C(C)(C)C 1749682657 YCHWEQPXEHIYCT-HXUWFJFHSA-N 401.515 1.363 30 10 HDEE C#CCN(c1nnc(C)n1CCCOCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760180915 MZEJRXWDEPJYAQ-SFHVURJKSA-N 410.540 1.047 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1760199369 VDFOPXHPJWJDQW-GDLZYMKVSA-N 412.515 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(OC)cc1OC 1760217772 LZMSJCBSAIROMM-LJQANCHMSA-N 421.501 1.952 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnc(C)s2)CC1 1760260860 FXFJMONRZDYELI-UHFFFAOYSA-N 423.546 1.863 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1760331518 JUNPNGZHGZLAQD-NRFANRHFSA-N 421.509 1.802 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1760495559 RFMUMORZRVOZRB-IAGOWNOFSA-N 405.568 1.843 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1760509763 GUTVRJIOWILNIJ-DOMZBBRYSA-N 404.496 1.260 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC2(CC1)C[C@@H]2C(=O)NCC1CC1 1760524884 MFVMAMCSWXTNED-MRXNPFEDSA-N 400.527 1.275 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(c3ccccn3)CC2)nnc1C(C)(C)C 1760558236 JWYVPXIELSNRAR-UHFFFAOYSA-N 418.567 1.898 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1760803928 SRAGPSIMXIPBGJ-CABCVRRESA-N 411.528 1.114 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1761728604 ATTKSJVKIWAOJR-JTSKRJEESA-N 424.505 1.681 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)cs1 1762296202 IUOLWOTVPSLBAP-MRXNPFEDSA-N 403.556 1.950 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H](C)O1 1765237187 JPXYGNPGKJSEAU-CRAIPNDOSA-N 407.482 1.897 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1770317072 MEMYXAUNXYGHGO-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1ccco1 1771281416 HNEPDSDHNYXEGB-VYDXJSESSA-N 416.482 1.621 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)CC1 1771535568 QWADUSMHADXILY-SJORKVTESA-N 402.499 1.412 30 10 HDEE N#Cc1ccc(C(=O)CO[C@@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1849316456 ADMRZZGCQGGLEX-UXHICEINSA-N 403.438 1.769 30 10 HDEE N#CC1CCN(c2ccccc2NC(=O)CCCN2CCS(=O)(=O)CC2)CC1 1850536418 WQAIVRKBSHJKGU-UHFFFAOYSA-N 404.536 1.876 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850807935 CHRNZKYDKJZUFX-QGZVFWFLSA-N 415.918 1.962 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CO2)nc1 1851783181 SZHIDPMCTFRYQE-SUMWQHHRSA-N 414.368 1.948 30 10 HDEE CC(=O)N1CCN(CC(=O)N(c2ccccc2F)c2nccc(N(C)C)c2C#N)CC1 1852574361 WWJJAKLTCPMCCU-UHFFFAOYSA-N 424.480 1.987 30 10 HDEE CC(C)(C)OC(=O)N1CCCCN1CC(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1853058472 PYWOOUIOGNBEBE-INIZCTEOSA-N 417.466 1.865 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCCc4cc(C)nc(OC)c43)C2=O)CC1=O 1853792920 AVIFRTWTSLXUSC-SJORKVTESA-N 412.490 1.313 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccnc3ncccc23)C1=O 1853805021 WGSWFHQBEULFBZ-ROUUACIJSA-N 407.474 1.480 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(C)no3)C3(CCCC3)C2=O)CC1=O 1854091106 BCCJOGQLBAEIMS-INIZCTEOSA-N 400.479 1.501 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCCC(=O)c2ccccc2)C1=O)[C@@H]1CCN(C)C1=O 1854226905 RZNVGJRFPDBAKI-MOPGFXCFSA-N 411.502 1.886 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc(CC)no3)C3(CCCC3)C2=O)CC1=O 1854417811 ATXOCTYKIGCKOU-HNNXBMFYSA-N 415.494 1.150 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3ccccc3F)C2)CC1=O 1854841191 ROKWEYOOMBHGHE-KRWDZBQOSA-N 423.510 1.367 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N(C)CCc3scnc3C)C2=O)CC1=O 1855861135 GNRNPYJVKCZYON-IRXDYDNUSA-N 418.563 1.868 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)CCC1=O 1855963227 YETDXLBIGUXKGC-QGZVFWFLSA-N 411.506 1.123 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN([C@H]3CCN(C)C3=O)c3ccccc32)CC1=O 1856420646 AUXRUKGMUXKCIG-QAPCUYQASA-N 410.474 1.022 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@@H]2CCc3ccccc3O2)CO1 1856903501 OTJATORKLXUPLW-WMZOPIPTSA-N 414.439 1.800 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1856998528 FJSGTEPTYLEFAX-UONOGXRCSA-N 401.492 1.489 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CC[C@@H]2CCCO2)C1=O 1857060871 WHCFYSGLNDSGKK-CABCVRRESA-N 405.476 1.815 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)CC[C@@H]2CCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857461425 SQEHRLYNHORRQA-CABCVRRESA-N 405.476 1.957 30 10 HDEE COc1ccc(OC)c(CCNC(=O)CNS(=O)(=O)c2ccccc2C#N)c1 1857999241 VBDSYIVZZHOKQU-UHFFFAOYSA-N 403.460 1.213 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 1862563961 PFICOINUJCCVJG-BTDLBPIBSA-N 413.386 1.842 30 10 HDEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 1866361753 HPRVWASLRJKKHQ-MAUKXSAKSA-N 423.473 1.823 30 10 HDEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN(CCOC)CCOC)cc1=O 1870561162 BNTHXEDZOKYGMH-UHFFFAOYSA-N 400.475 1.709 30 10 HDEE N#Cc1ccc(NC(=O)CNC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1873867558 SDIWZIMBMTVYDJ-UHFFFAOYSA-N 421.457 1.753 30 10 HDEE C#C[C@@]1(O)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029231457 VYLZGCAPCAFGGT-HXUWFJFHSA-N 404.488 1.243 30 10 HDEE N#CC1(CS(=O)(=O)N=c2[nH]cc(Br)nc2Br)CCC1 2110017587 QDTRQKGEZNUJBV-UHFFFAOYSA-N 410.091 1.859 30 10 HDEE C=CCN(CC(=O)O)C(=O)NCc1nn(C)c(Cl)c1I 2174386798 VTZTVBUGNOXGKQ-UHFFFAOYSA-N 412.615 1.460 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(S(=O)(=O)CC2(C#N)CCOCC2)CC1 2174780920 ZRQLTYRQHAHCPU-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1F)[C@@H]1CCS(=O)(=O)C1 2180116810 FCPPMUHXMLLGHO-KFWWJZLASA-N 402.488 1.230 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1C#N 2187586482 XOHIKPHAWNDCPW-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE CC1(C)OB(C2=CCCN(C(=O)CS[C@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2189213159 VKKPVLMCLKERBU-AWEZNQCLSA-N 401.359 1.697 30 10 HDEE C#CC[C@@H](CN(C)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CC1 2196767131 UWAMPMGCUOIMCQ-HOTGVXAUSA-N 400.541 1.822 30 10 HDEE N#Cc1cc(Br)cn(C[C@H](O)CCN2C(=O)c3ccccc3C2=O)c1=O 2210624095 PRJKDJZMZQPXJB-CYBMUJFWSA-N 416.231 1.530 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)c1ncccc1B1OC(C)(C)C(C)(C)O1 2212758119 DYQGOOMOCMVZCS-UHFFFAOYSA-N 407.320 1.704 30 10 HDEE COC(=O)CCS(=O)(=O)NCc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237725253 QSUSULFIABCGKQ-UHFFFAOYSA-N 403.331 1.338 30 10 HDEE CC1(C)OB(C#CC(=O)N2C[C@H]3CC[C@H]2[C@H](NC(=O)C(F)(F)F)C3)OC1(C)C 2243429433 CEITXSAJQBZAOF-XQQFMLRXSA-N 400.206 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247825492 FLOMPIFEFKIAJQ-CYBMUJFWSA-N 418.303 1.614 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247858079 KXDCLVOGBALONW-UHFFFAOYSA-N 422.291 1.304 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247865298 SKYMUNNPORCNGK-ZDUSSCGKSA-N 424.303 1.536 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)[C@H](O)C(F)(F)F 2265291964 CURSQJWQVUCFQU-CSMHCCOUSA-N 404.407 1.081 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC12OCCO2 2282320209 FKBQLLBCOFRXTM-QGZVFWFLSA-N 423.340 1.868 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)s1 2282325531 GMOHOUSOSSYVLG-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282330187 WFDPIGUJSHCQDI-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CS[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335551 QXDLXXWAZXQFIF-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)[C@@H](O)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353913 KDNWADJTGVQZOH-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE C=C(CS(=O)(=O)N=[S@](C)(=O)C[C@H](N)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282418888 LIWYHHNEZGITIR-ZJWNCGCPSA-N 408.395 1.975 30 10 HDEE CC[C@@H](C)[C@@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505588 GIXWUQYNZITWDR-OCCSQVGLSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@H]3CO)ccc2Cl)OC1(C)C 2282506252 POVJXTBSWSASOH-XHDPSFHLSA-N 401.721 1.688 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2282508517 XLMFEGMKHKYNQL-RUZDIDTESA-N 401.359 1.341 30 10 HDEE C[C@@H](CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1)S(N)(=O)=O 2282563499 GMULULQRYAOEBI-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@]2(=O)CC[C@@H](CN)C2)OC1(C)C 2282847974 HKQXUXRLAWFXAY-JPQMIFPKSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCN3CCCC3)s2)OC1(C)C 2282860966 IVFQLVGMRMDBLV-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282862562 FFTFCYCAEUYLRQ-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE C[C@@H]1C[C@@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869447 CUMBQONEPNIXEZ-OCCSQVGLSA-N 401.359 1.722 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(F)CCCNC2)OC1(C)C 2282869556 DVDFKHJHLWPYRX-MRXNPFEDSA-N 404.338 1.417 30 10 HDEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)CC(=O)O 2284378747 RHNYRDHGYCARIA-UHFFFAOYSA-N 402.709 1.447 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC(=O)O)C(C)C 2284398618 ZWRBMERONYJEBV-UHFFFAOYSA-N 403.331 1.839 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406808 CQCUWLUQODHPHQ-LLVKDONJSA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](O)(C(=O)O)C3)sc2Cl)OC1(C)C 2284445004 ARKRUZGEHCDGHV-INIZCTEOSA-N 401.677 1.362 30 10 HDEE COc1ccc(C=CC(=O)N[C@H](C)C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 2297487199 OXJSBIKBKNTFOZ-QVKFZJNVSA-N 401.463 1.811 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2ccc[nH]2)o1 2330761587 UFKJSCYWRQUKIB-UHFFFAOYSA-N 402.436 1.796 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N3CCC[C@@H]3C3OCCO3)cc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n1nc(Br)c(Br)c1C(=O)N1C[C@@H](C#N)N2CC[C@H]1C2 2368599665 SMOBIOFCCKKJNT-JGVFFNPUSA-N 403.078 1.367 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)[C@H]2CCN1C2 2368659405 FFTOIRFDONXWBE-JYJNAYRXSA-N 400.545 1.395 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccc(OC)cc2)cc1 5916422 BUPXPIGINOTQEZ-UHFFFAOYSA-N 418.471 1.633 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)n1cnc2sc(C(=O)O)c(C)c2c1=O 16893780 DJDDXHKEIRBVPH-JTQLQIEISA-N 400.420 1.660 30 10 HDEE COc1cc([C@@H]2C(C(C)=O)=C(C)Nc3nc(SC)nn32)ccc1OCC(N)=O 20413354 RREDCXJCPQAFEE-MRXNPFEDSA-N 403.464 1.751 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1OC 30867130 NLSUEMABCBSPPW-UHFFFAOYSA-N 408.462 1.969 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1 42953798 WDCNMDDFSVJUSQ-UHFFFAOYSA-N 415.519 1.479 30 10 HDEE C[C@@H](/C(N)=N/O)N(C)S(=O)(=O)c1cc(Br)ccc1Br 45145818 GTIOZTXTKSQWJY-LURJTMIESA-N 415.107 1.967 30 10 HDEE Cc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@@]3(O)c3ccccc32)cc1 96297907 LFGXNWMCCCPHDV-PGVNHDJNSA-N 414.483 1.540 30 10 HDEE CN(C)C(=O)c1ccc(C#CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 96348469 PKMUDJYASPVRTP-UHFFFAOYSA-N 417.465 1.933 30 10 HDEE N#CCNC(=O)C(=O)Nc1cc(Br)ccc1I 302470947 YDMKQEBERDJYNV-UHFFFAOYSA-N 407.993 1.632 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCn2c(O)nc(=O)c3ccccc32)CC1 302889973 PMWDXCMCERUVBR-UHFFFAOYSA-N 404.430 1.108 30 10 HDEE C[C@@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)n1cnc(C#N)n1 409838551 YIGQFMNQYQOVNA-LBPRGKRZSA-N 421.274 1.957 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)CC1 410152905 WWRYNEGNCLSTAM-UHFFFAOYSA-N 413.425 1.817 30 10 HDEE CCOC(=O)c1c(NC(=O)N(CCO)[C@@H]2CCO[C@@H]2C)c(C#N)cn1CCOC 432415504 CTFCFOGOZMAURZ-UKRRQHHQSA-N 408.455 1.186 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 444288761 RBBUGJDIGZCQCC-UZLBHIALSA-N 424.519 1.628 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4)C3=O)CC2)c1C#N 460277161 QMBVUNLVWNFMQA-QGZVFWFLSA-N 410.503 1.960 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)cn1 461754514 ZZKORCDEZXIXJO-UHFFFAOYSA-N 401.386 1.443 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nccn1CC(F)(F)F 464948681 MPSHPRCVEKZWOK-LBPRGKRZSA-N 408.388 1.527 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@H]4C[C@H]5CC[C@H]4C5)CC3)CC2)o1 483018520 DUQADEUIEHMARD-BJLQDIEVSA-N 412.538 1.310 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)CC1 503476439 IMGSURXRLZZCIY-AWEZNQCLSA-N 424.954 1.965 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(C)[C@@H]2c2cccs2)C1=O 525557183 CHWVXBGGGBHQFK-BBRMVZONSA-N 404.492 1.224 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C[C@H](C)C(=O)OC)cc2)CC1 544799848 LSEXBQOZEUHLJS-INIZCTEOSA-N 402.495 1.490 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3OC)n2CC(=C)C)CC1 549702321 MIQFOXBNUIBCER-UHFFFAOYSA-N 410.522 1.954 30 10 HDEE Cc1noc(C)c1CO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C1 577717785 NLCHUAJXQRGQQI-MRXNPFEDSA-N 418.475 1.259 30 10 HDEE CC(=O)c1ccc(-n2c(C)cn(CCS(=O)(=O)c3ccc(C#N)cn3)c2=O)cc1 583048963 LEWUXYGJJJQFBQ-UHFFFAOYSA-N 410.455 1.891 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NC2CCN(CC#N)CC2)cc1 609328253 HPXXKPXHCXMNSY-UHFFFAOYSA-N 408.524 1.200 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2cccc(C#N)n2)CC1 612830652 MGUSMBAKFZPTPY-GOSISDBHSA-N 405.506 1.208 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NCCC)C1CCN(S(C)(=O)=O)CC1 689599739 RJQFAXXMBCKIDX-DLBZAZTESA-N 401.573 1.943 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 731851058 FFAYPUYFNXQDBA-BUHFOSPRSA-N 421.809 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 732010905 GEUHZGMSOUZPIM-MRXNPFEDSA-N 407.492 1.599 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@@H](C#N)c2ccccc2Br)c(=O)n(C)c1=O 733266907 PPXQVNNJZQJKHJ-NPQIQWPPSA-N 403.236 1.241 30 10 HDEE N#Cc1cc(COC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)ccn1 747082115 MBPNSOFJGAXUBX-SFHVURJKSA-N 405.414 1.546 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2SCCC(N)=O)cc1C#N 747496079 HMEOADRIJLNKLJ-UHFFFAOYSA-N 412.471 1.789 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 758621294 YXRAZESYEPLAFF-GFCCVEGCSA-N 410.945 1.586 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 767156255 MNUDYNLUYWMORU-UHFFFAOYSA-N 420.457 1.841 30 10 HDEE C#CCN(C(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774048287 LMHNJNVHSWMBGM-LPHOPBHVSA-N 405.520 1.734 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)CSCc2ccc(C#N)cc2)cc1 777345383 RPRNBPYZSKGEOU-UHFFFAOYSA-N 403.485 1.656 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)NC3(C#N)CCC3)c2C1 784243282 CGHLXHQLIKMCGD-UHFFFAOYSA-N 403.439 1.422 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)n1 790104621 GSLKDWCXQMABPU-QFIPXVFZSA-N 410.518 1.689 30 10 HDEE COCCCNC(=S)NN=C(C)c1ccc(Br)c(S(N)(=O)=O)c1 797400091 MEDOJROANIZOLX-UHFFFAOYSA-N 423.358 1.321 30 10 HDEE CC(=NNCCCN1CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 799488534 FRXVZTGYTRXUFG-UHFFFAOYSA-N 419.345 1.132 30 10 HDEE Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)ccn2)c(=O)n(-c2ccccc2)n1C 803849744 ROGZXHGLLDKRLJ-CQSZACIVSA-N 405.414 1.935 30 10 HDEE COc1cc(OC)c(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC)c1 810163810 IRYCUBODCKNAKK-UHFFFAOYSA-N 419.459 1.179 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](c2cnn(C)c2)C1 849480038 ARLUUNGBQRKZSJ-FCHUYYIVSA-N 406.534 1.671 30 10 HDEE CCCCN(C(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914595283 XOQPZSXCWNEGKH-WBVHZDCISA-N 422.503 1.685 30 10 HDEE C=CCNC(=O)[C@H](C#N)C(=O)CCN1C(=O)COc2cc(Br)ccc21 916922421 YBZKLZXXQZHFPM-GFCCVEGCSA-N 406.236 1.576 30 10 HDEE Cc1ccccc1C(=O)NC1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1116062546 BDLMGYSELUUCOI-LSDHQDQOSA-N 410.474 1.632 30 10 HDEE C=CCO[C@H]1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1116536716 HOWBYLWPOIVXEQ-INIZCTEOSA-N 411.549 1.681 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1ccc([N+](=O)[O-])cc1I 1128703171 HBUZQKAJJQPTRW-CYBMUJFWSA-N 402.192 1.773 30 10 HDEE C#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccccc1 1130117000 ZOAGSRHLHVOJOY-QGZVFWFLSA-N 404.513 1.802 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc2n(n1)C[C@H](C)N(C(=O)OC(C)(C)C)C2 1132668617 YFNJNOWQMQSSHE-ZDUSSCGKSA-N 405.455 1.551 30 10 HDEE C#CCCN1CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1136499425 YWZFMMHQZGRCCT-OAQYLSRUSA-N 404.511 1.700 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1137592019 UYOMQOFSPBCHKV-IUODEOHRSA-N 408.478 1.850 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(=O)N(C)C)C1 1142169503 CAOGDLUMJIZPKW-HOCLYGCPSA-N 420.535 1.221 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)c1 1149050937 HWZXILFTIWYVPY-WOJBJXKFSA-N 416.543 1.857 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1156253668 GLOZFCPCJXBNCR-CVEARBPZSA-N 403.483 1.896 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCc3ccccc3Br)C2)c(=O)nc1O 1159489380 CZZMVXGNUKSCPB-UHFFFAOYSA-N 417.263 1.989 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(CC#N)cc2)cc1OC 1163195709 BFHVAWSIZGXEMD-UHFFFAOYSA-N 417.487 1.755 30 10 HDEE CNCCCc1[nH]nc(NC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)c1C#N 1182252688 DSCHUBMAGYGCKR-LBPRGKRZSA-N 400.430 1.920 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1190265168 PHQWZHWJSCCCPK-VIFPVBQESA-N 405.270 1.385 30 10 HDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1 1193792202 FAWIZKUBVNAKDU-UHFFFAOYSA-N 420.535 1.877 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 1195260834 OZAPIEXXKBCOBC-IBGZPJMESA-N 406.504 1.271 30 10 HDEE CC(C)(C)Oc1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1224618242 FDTMZABCSQQTDE-JXFKEZNVSA-N 405.520 1.986 30 10 HDEE C#CCN(C(=O)NCc1nnnn1CC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1235359129 QSCYTCPMBRHJLU-UHFFFAOYSA-N 417.514 1.627 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCS1 1256047132 AMLBYHYNILIEAB-ZBFHGGJFSA-N 408.549 1.858 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)O1 1264645143 LKBSLBRADNINKW-JXGZPRAZSA-N 409.464 1.159 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@@H]12 1284058328 QCVINODCRAXVKY-VVAHPZEZSA-N 401.551 1.948 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286395476 RJMFQOQFHFHBNE-GOSISDBHSA-N 416.551 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1cn(C2COC2)nn1 1286438447 WCNOXOHKDISSTA-UHFFFAOYSA-N 408.422 1.524 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1286481084 RXFXFOHFPXHQAK-QYZOEREBSA-N 403.527 1.326 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccn2)CC1 1286504919 WQQRYTVLIIFDTO-UHFFFAOYSA-N 409.523 1.162 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286540498 BJXSTUPSORTCEP-JHJVBQTASA-N 421.361 1.948 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N(C)CC(C)(C)CN1CCOCC1 1286618493 BNQDVGHSTOWAJT-UHFFFAOYSA-N 412.966 1.963 30 10 HDEE C=CCCOCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286713103 UNKRAEUVGJUTQZ-MRXNPFEDSA-N 402.524 1.737 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccccc2)CC1 1286787394 FJPJVBZNAHVCLJ-SFHVURJKSA-N 410.522 1.801 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCOCC2)C1 1286803977 ICEFCXPPOYUPAV-GOSISDBHSA-N 412.494 1.370 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1 1293033125 SZSIUZVKHGJKCB-IGGDJGDASA-N 402.882 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCC3CCN(CC#N)CC3)=NO2)C1 1293420821 SQHHQNBCIIUEKX-HXUWFJFHSA-N 405.499 1.494 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(N3CCOCC3)ncn2)C1=O 1297273395 KFMIGRHSUAIVLE-FQEVSTJZSA-N 418.498 1.629 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CC1 1299278209 FWBKWLAUXMMQCX-UHFFFAOYSA-N 408.491 1.783 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncnn1C 1299936166 QXUUNFRMFCBBCF-OAHLLOKOSA-N 418.523 1.017 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1300376042 FCGQHWJGDBZDNN-NRFANRHFSA-N 419.526 1.029 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1300376267 IQUFHDLJACJUSM-UTKZUKDTSA-N 401.511 1.545 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1300408551 AKTVSMZKCMXLDS-INIZCTEOSA-N 409.556 1.494 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1Cc1ccccc1S(=O)(=O)N(C)C 1300451029 ONOIYSKCSMLTBR-UHFFFAOYSA-N 412.519 1.652 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CCN1CCN(Cc2ccccc2)CC1 1300459811 WYOOGGVPCRHMDD-NRFANRHFSA-N 408.550 1.669 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1300488627 FRRPJXRIVGIIRB-IAGOWNOFSA-N 420.510 1.865 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1300499770 WTDIAZRYCIYEBN-GOSISDBHSA-N 414.531 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1300506155 NRESXQJOWMPTHB-GCJKJVERSA-N 411.506 1.315 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@](C)(O)CCOC 1300538742 UXTYUOPYCPPQLO-UGKGYDQZSA-N 410.474 1.651 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1COCCO1 1300637941 BKSYJOUUDQPLSC-MGPUTAFESA-N 417.441 1.723 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cc(C)nn2C)CC1 1300722941 NXAOOCXSHVYXLW-UHFFFAOYSA-N 409.538 1.992 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300983674 MFYGTGUNGHOGIO-UHFFFAOYSA-N 413.526 1.720 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1300996800 JUGYCNLWLNHWCN-QGZVFWFLSA-N 413.526 1.721 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1301049733 VUHHQTYIXBFXMD-KRWDZBQOSA-N 423.452 1.458 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301077800 SPWLYECPLIGVPL-ONIAQPFYSA-N 422.505 1.163 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)c2ccco2)C1 1301535871 PJPNZINBGWYQQK-HNNXBMFYSA-N 416.482 1.221 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 1301568033 BWRIMIPTQLETSJ-INIZCTEOSA-N 419.551 1.843 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301830635 YJSALBYKISZCSZ-QGZVFWFLSA-N 423.477 1.230 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCc2nccn2C1 1303646565 SRSHPNYYIXNQCD-NVXWUHKLSA-N 418.505 1.976 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3oc(C(C)C)nc3c2)CC1 1310327735 QCWYFLOROIYZTF-UHFFFAOYSA-N 405.480 1.568 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1315815724 NVRIMJIULFWSNT-ZWKOTPCHSA-N 416.457 1.143 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1316256793 IFVFTYORLNRQRB-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCC(=O)N2)cc1 1316531974 YBSLLUMELQQQGT-NVXWUHKLSA-N 407.478 1.187 30 10 HDEE C#CCN(C(=O)NCC[C@@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1320594029 PMXLCIORAZLTFU-CABCVRRESA-N 401.529 1.464 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CC[C@H]1C2 1358912919 BELLAPOGVGLSJW-YESZJQIVSA-N 407.540 1.403 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1358958025 FXDKCBCLQYNHMS-MRXNPFEDSA-N 422.938 1.996 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(=O)N(C)C)cc1 1358978080 CTACMOSIXWCDPB-SFHVURJKSA-N 406.490 1.997 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1csc(C)n1 1358978610 QJWZFXUYCPRDSQ-OAHLLOKOSA-N 403.533 1.261 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCCNC(=O)c1cccc(O)c1 1358983384 FZNQKHSTJYECCO-LJQANCHMSA-N 407.474 1.728 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@H]2COCCO2)CC1 1359029910 KFRNAXILMRMDJI-SFTDATJTSA-N 409.534 1.991 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(N)=O)C1 1359059846 BVPFFIKYAJRASC-INIZCTEOSA-N 401.540 1.208 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCOCCS(C)(=O)=O 1359072140 QQCGGVGQAYGOOG-HXUWFJFHSA-N 417.535 1.317 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)=O)CC1 1359089752 OMCSXXQBTBIDPL-MSOLQXFVSA-N 418.542 1.456 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359178015 GZYAFGXDMDXMFE-JKSUJKDBSA-N 402.499 1.910 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCc1nnc2n1CCCCC2 1360474021 FJIGYWVOZPHZOA-HNNXBMFYSA-N 408.514 1.978 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)cc1 1440423826 SDNIFTWGRMWNLZ-UHFFFAOYSA-N 408.867 1.410 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3Cc4ccccc4NC3=O)C2=O)cc1 1454625547 HCTFRWSPYHPGPR-MSOLQXFVSA-N 417.425 1.443 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CC1 1455193273 UGLIVFVYJDQIPB-LJQANCHMSA-N 413.518 1.136 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1461016318 QYGPZLYXYAVDHX-CQSZACIVSA-N 414.462 1.545 30 10 HDEE CCOC(=O)[C@H](NS(=O)(=O)N(CC)CCC#N)[C@@H](O)c1ccc(Cl)cc1 1464107970 DQNQSVOLWGMGLR-CABCVRRESA-N 403.888 1.375 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1469359576 AXIPYJNZZBLWDN-INIZCTEOSA-N 415.494 1.136 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1470008905 XRKITBCOTBSLFC-MAUKXSAKSA-N 410.540 1.393 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)CNC(=O)c3ccc(C#N)cc3)CO2)C1 1470029706 FKCKLKVTTLVMCD-MRXNPFEDSA-N 414.462 1.183 30 10 HDEE CCc1nnc(N(C)Cc2cccc(C(N)=O)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1498668854 HIGOODIQPKSOLE-CZIZESTLSA-N 423.477 1.102 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1504598224 MOLOHBSIJUPBNP-KRWDZBQOSA-N 416.457 1.096 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C[C@H]1OC 1505123289 BFFGEJFQLATXQT-XXLATIFVSA-N 413.478 1.207 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCOC2)c1 1505314070 RKBBNNUWUJTDOW-MRXNPFEDSA-N 410.478 1.324 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507536961 HPDQIFDPKKLBJR-WBVHZDCISA-N 402.524 1.003 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1507633388 SCXOYKKUQHRTIW-ZWKOTPCHSA-N 424.567 1.963 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1507652930 KHFSHOLRGUSSBT-SJORKVTESA-N 407.465 1.211 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1507910221 JNWWIRCMZNDBBI-UHFFFAOYSA-N 419.574 1.277 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc23)nnc1N(C)OC 1508084347 AKMSONWEWVPOED-UHFFFAOYSA-N 411.466 1.536 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(C)=O)nc2)C1 1508115613 BVFFYVKMWTWHMC-KRWDZBQOSA-N 420.477 1.918 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1509805040 KLRRAQNYCKVGQB-XWPNQZOQSA-N 423.489 1.301 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1510302566 QSGAMQUUGXZYMF-IRXDYDNUSA-N 421.505 1.433 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)CN1CCCC1 1513923175 HICHALGGDGOVAC-MSOLQXFVSA-N 423.569 1.949 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1c1ccnn1C 1524217553 ZIBLAOGODXIKRW-UXHICEINSA-N 422.489 1.187 30 10 HDEE Cc1nc([C@H]2CCOC2)sc1C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1529118862 FVVDOARLUVYJEC-AWEZNQCLSA-N 400.508 1.831 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2C(=O)OC(C)(C)C)C1=O 1530504794 JYTTYEYZRFXQCM-UHFFFAOYSA-N 401.419 1.235 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)nn1 1536917774 AUEGOZPSFVBSQQ-GOSISDBHSA-N 420.832 1.340 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCNC(=O)C(C)C 1538977968 ZARJGWJSVXBDKX-UTKZUKDTSA-N 405.543 1.939 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2CCN2CCOC[C@@H]2C)c1 1539043703 TXNQXLZWKHITGB-KRWDZBQOSA-N 422.533 1.932 30 10 HDEE Cc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1NC(=O)c1ccco1 1539118660 PNQDBQPPJQGBEW-MGPUTAFESA-N 413.455 1.851 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1nncn1C 1539170887 COIKMKAHJXXOPK-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1539265459 GEIWYCCIUPRDGE-OAHLLOKOSA-N 418.548 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCOc2ncccc2Cl)CC1 1539483362 YIURZPNLTANDDB-UHFFFAOYSA-N 416.913 1.934 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCCN(C)S(=O)(=O)CC 1539556677 GHZRUQWVGYVIGC-YLJYHZDGSA-N 423.583 1.836 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)[C@@H](C)CC 1540074390 YGTCPYYWVCNEFB-XHSDSOJGSA-N 415.560 1.294 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cccc(F)c2)C1 1540862099 QXLZKJYLUASWKN-INIZCTEOSA-N 414.485 1.852 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2conc2COC)C1 1540890325 CRAHHTPCWQGGET-LSDHHAIUSA-N 402.455 1.193 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C 1540903946 HTZCXQIPLQCKGR-INIZCTEOSA-N 419.551 1.868 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCC3(CC2)OCCO3)s1 1544274241 FVBWUDXNDCWTSY-UHFFFAOYSA-N 400.522 1.557 30 10 HDEE CN(C)c1ccc(N(Cc2ccc[nH]2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1545881210 CQGICUJRKRBXCR-UHFFFAOYSA-N 406.446 1.838 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CO)CC2)n1Cc1ccc(C#N)o1 1555742370 INYMXTBWLUZXOD-YJBOKZPZSA-N 401.467 1.724 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1555984689 AEOVBLZMSGPKDU-IFXJQAMLSA-N 415.404 1.449 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)C(=O)OC 1556375464 JXAATVGZUZIHQF-MRXNPFEDSA-N 402.407 1.622 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1556375858 UOVGYSCEDFLHQZ-KURKYZTESA-N 420.462 1.273 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](Cc3ccncc3)C(=O)OC)n[nH]2)c1C 1556762477 NSAFMCOOGZXOKM-SFHVURJKSA-N 408.462 1.985 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)ccc1F 1558043143 HEKVSHXCEAZRLM-UHFFFAOYSA-N 406.361 1.962 30 10 HDEE COCCn1cc(CNC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)c(O)nc1=O 1558081377 HBRZEHDBGDAJJF-KRWDZBQOSA-N 400.435 1.187 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1558330060 XXMOXKOLZHHITR-ZDUSSCGKSA-N 419.425 1.077 30 10 HDEE N#C[C@]12CN([C@H]3CCN(c4ccccc4C(F)(F)F)C3=O)C[C@H]1CS(=O)(=O)C2 1560194806 ZZEWSDCGLAWNNW-YLQAJVPDSA-N 413.421 1.681 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1561782611 INRHVEYLFSSLFV-LJQANCHMSA-N 424.519 1.326 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1564723990 MLKLGXUHHVDGIF-IBGZPJMESA-N 414.506 1.202 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C1CCOCC1 1565067309 TVGSNYXPGIFFCK-POAQFYNOSA-N 415.538 1.836 30 10 HDEE COC(=O)[C@H](CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)Cc1ccncc1 1565634436 UCHMKQGKWSEBMQ-AWEZNQCLSA-N 419.434 1.280 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 1565815002 QYYDRFFRZNENRP-UHFFFAOYSA-N 404.517 1.725 30 10 HDEE CNS(=O)(=O)C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1569756080 KOQYPHWRVWHPMZ-AWEZNQCLSA-N 402.517 1.114 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCCN1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1577842839 UBGJRYHKLPBGIY-XNTOXWQXSA-N 401.551 1.830 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCc3ccc(CC#N)cc3)C2=O)cc1 1586006182 LONPGPSFOWOACK-JOCHJYFZSA-N 406.442 1.845 30 10 HDEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)C2(C#N)CCSCC2)cc1 1586714904 FISHFRVHGKWIMY-UHFFFAOYSA-N 411.549 1.953 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3oc(=O)n(C)c3c2)cc1 1586944682 FUKIZIOKNXXWMI-UHFFFAOYSA-N 401.444 1.526 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC4(CC3)CNC(=O)C4)CC2=O)cc1Cl 1587241974 BLMCQEIFZSKRHA-AWEZNQCLSA-N 400.866 1.693 30 10 HDEE C[C@H](C(=O)N[C@@H](C#N)c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1587889167 YBOZRLMAFZJUAC-CJNGLKHVSA-N 404.442 1.974 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(C)CN(C)C1=O 1587904563 JZCWFPAHSOCKGM-HXUWFJFHSA-N 414.897 1.409 30 10 HDEE C#CCN(c1nnc(C)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035909 ZKIOVMGQVHRJER-ICSRJNTNSA-N 402.520 1.511 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(C)(=O)=O)cc1 1588120697 RQDUCPOABYGHEW-UHFFFAOYSA-N 407.499 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588628596 LQEZBKKEYOUMLO-DYESRHJHSA-N 412.494 1.549 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc21 1588638202 PLKPXCCIWWAPSO-MJGOQNOKSA-N 422.533 1.766 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2Cc2ccn(C)n2)CC1 1588790761 AXKBKUBASBGYNE-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C=CCN(c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)N(C)C)C1CC1 1595044726 ZHYPZDAMSQBGDL-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCc2ccco2)C1 1595665690 ZYQLTMUQNDDQHU-MRXNPFEDSA-N 416.482 1.107 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)C1 1595705723 DBEUVPPSNZFTAI-MRXNPFEDSA-N 418.523 1.157 30 10 HDEE C=CC[C@]1(C(=O)NCCc2nnc3n2CCNC3=O)CCCN1C(=O)OC(C)(C)C 1596014028 HZWIKQPWBMNTRF-HXUWFJFHSA-N 418.498 1.026 30 10 HDEE CC1CCN([C@@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1612822215 DWCQDDMLZUSPLQ-KRWDZBQOSA-N 407.522 1.873 30 10 HDEE CC[C@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1614164947 ZDWOOGGRQLPRCW-UHHPSXQGSA-N 410.482 1.584 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCOC[C@H]3CCOC3)C2)C1 1615612484 KEKCJAJGPMRXHV-DILDSAGESA-N 407.511 1.943 30 10 HDEE CC(C)c1ncc(Br)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1616348157 VICGXAJOWRBDQA-SSZFMOIBSA-N 408.256 1.619 30 10 HDEE N#C[C@]1(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)C[C@H]2CC[C@H]1C2 1618368593 JGYZBNKLOQRKPJ-LQBOVUBWSA-N 402.539 1.393 30 10 HDEE CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1618795609 LOYSKWHZLJHFEP-UHFFFAOYSA-N 417.477 1.069 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)N(C)C1CC1 1620099740 MGGFISFHWRSSRI-PYWIUJKZSA-N 406.506 1.927 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1621495337 QAJVRHZFYRHJFI-UHFFFAOYSA-N 406.386 1.199 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1622067993 HTJFHMIBBJIOOX-GFCCVEGCSA-N 415.309 1.777 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)C2CCOCC2)cc1Br 1622084626 FLTCALGPJSRKJD-ZDUSSCGKSA-N 407.261 1.526 30 10 HDEE N#CCC(=O)N1CCN(C(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)CC1 1622396356 YXESKKOFQCIRKO-SDXDJHTJSA-N 417.429 1.516 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-n3cnnn3)c2)s1 1624597154 BLBGFLHKBVGLQQ-UHFFFAOYSA-N 404.477 1.369 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)cc1 1626004276 OLCAJCQYMBMXAN-AWMROSOHSA-N 402.480 1.676 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(N)=O)C1CCOCC1 1629316594 BFQPQUBLAUWNSU-KGLIPLIRSA-N 403.907 1.809 30 10 HDEE C#CCN1CCCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 1629536989 MBOCFMWGNFAMGK-UHFFFAOYSA-N 417.575 1.537 30 10 HDEE NC(=O)CC1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1633866877 MNCFAZDVENMHBS-UHFFFAOYSA-N 406.508 1.057 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O 1635737974 CNIJEEHQODHLQX-INIZCTEOSA-N 407.312 1.957 30 10 HDEE C=CCNC(=O)CNC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1637324601 FFFZMUAPJBBCMH-UVTDQMKNSA-N 407.492 1.835 30 10 HDEE C#CCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1638678134 AXOHBCIBYWSWNZ-UHFFFAOYSA-N 409.577 1.679 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc([C@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)C(=O)OC 1639558585 LVYWEVGPXJKRBU-XJKSGUPXSA-N 422.482 1.608 30 10 HDEE CC1(C)CO[C@H](c2cccc(Cl)c2)CN1C(=O)Cn1cc(C#N)c(O)nc1=O 1640542473 UZFCPNHXEVIARI-HNNXBMFYSA-N 402.838 1.853 30 10 HDEE N#Cc1cc(=O)n(CC(=O)Nc2ccc(S(=O)(=O)c3ccc(F)cc3)cc2)cn1 1641229815 GRTYWPNDAQYUKK-UHFFFAOYSA-N 412.402 1.726 30 10 HDEE Cn1nc(Br)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1641250837 QUSODHRDYDWOSH-UHFFFAOYSA-N 401.217 1.871 30 10 HDEE C=C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1642070142 PDLYSPBYATZRCM-CQSZACIVSA-N 406.426 1.769 30 10 HDEE CCOC(=O)c1cc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)on1 1643858741 PJJZJVAGSYTEPB-UHFFFAOYSA-N 405.432 1.859 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nc[nH]n3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1644494834 MXEOQOWYDYECPL-UHFFFAOYSA-N 411.315 1.370 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1)C2 1650671950 BNTDJVTZIYGWMM-VQTJNVASSA-N 410.518 1.862 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)CC1 1652173021 LYXLQNSMNUCSNP-UHFFFAOYSA-N 409.577 1.996 30 10 HDEE C[C@@H]1CN(CC(=O)N(CCC#N)CCC#N)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 1654688752 FHVCXDCMUNBYBS-DYESRHJHSA-N 419.526 1.743 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1656410604 FYEYCVLTPLBUBC-HNNXBMFYSA-N 408.480 1.078 30 10 HDEE C#CCOc1ccc(Br)cc1CNCCc1nnc2c(=O)n(C)ccn12 1658617550 RYSAORCHECAWCX-UHFFFAOYSA-N 416.279 1.535 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1659672357 IIZLUYFWPVKHBG-ZDUSSCGKSA-N 419.322 1.685 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C1CCCC1 1662019784 AJTMXQBCOVLIML-INIZCTEOSA-N 420.601 1.335 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)C1 1665457302 MSFONWRKENGRPM-QWGSZXSUSA-N 422.503 1.266 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)cc1 1665676543 PUMZKQOORLJGIV-KRWDZBQOSA-N 406.504 1.669 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OCC 1669267141 KPSZJGHGEFGCDG-IBGZPJMESA-N 408.520 1.810 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3csc(C)n3)CC2)c1 1683339438 WGNPUGROOPKSHV-UHFFFAOYSA-N 404.517 1.649 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3nnc(O)n3C3CC3)CC2)c(Cl)c1 1683606877 QBBYBRDAYMITBF-UHFFFAOYSA-N 401.858 1.875 30 10 HDEE C#CCN(C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 1686076740 BJDFMRABCPGQGS-GOSISDBHSA-N 411.487 1.291 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1687206017 KGKKVBATDBVVGX-LBPRGKRZSA-N 412.288 1.118 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC[C@@H](c3nc(CC)no3)C2)n1 1687745238 FGMRGARMHQIBBO-HZPDHXFCSA-N 400.483 1.956 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCCC1 1689966064 KFMLHXRMZCXDJZ-SFHVURJKSA-N 407.584 1.906 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689980094 LMJYOGVBNVJTAA-HZPDHXFCSA-N 423.583 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSC(F)(F)F 1690032814 JZDSNEMUJSWDQW-LBPRGKRZSA-N 423.486 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@@](C)(O)CCOC 1690051173 OYAAVNPWQVBHAT-FQEVSTJZSA-N 401.536 1.884 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCOc1ncccc1F 1690102038 ASRSGMSYLYDSOM-INIZCTEOSA-N 403.458 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1690244328 WGBONSGDMUFPBN-RDJZCZTQSA-N 420.539 1.336 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)CCn1cccn1 1690309626 FUKATPRGGDYHDY-UHFFFAOYSA-N 413.482 1.931 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1692661904 GBDXSHWGQVUYAR-HOCLYGCPSA-N 424.571 1.786 30 10 HDEE CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1696132942 BQKSJZBWYSFSRX-DLBZAZTESA-N 413.478 1.966 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696345304 MDTXIKBJCYJZQD-NXDJFEHLSA-N 418.498 1.202 30 10 HDEE Cn1cnnc1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1696873579 MCOFZBWGNFSCQA-UHFFFAOYSA-N 406.498 1.346 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@]1(O)CCOC1 1698117785 LJLPNHCXDMDNPQ-KKSFZXQISA-N 415.494 1.662 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN3C(=O)OC[C@H]3C2)n1Cc1ccc(C#N)o1 1698172829 XFWRMVOGZPYTSI-ZIAGYGMSSA-N 416.438 1.156 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCN2CCSCC2)CCO1 1698492734 FSFDFEZNYDWMHM-QGZVFWFLSA-N 416.526 1.786 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1705476855 GFUQNEAPKTWAKA-HZPDHXFCSA-N 424.571 1.139 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1705481119 ZXCIRAFFTHKTMM-ACJLOTCBSA-N 421.343 1.571 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1705488214 NUZOWQARNIYMPA-HUUCEWRRSA-N 405.499 1.966 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705533278 WTKSIYAOIQIOPR-IAGOWNOFSA-N 409.556 1.351 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1705541441 JEMXRAQVEABDPQ-ZDUSSCGKSA-N 401.496 1.077 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(N)=O)cc1 1705587806 JTOSVNFSRLWMGM-UHFFFAOYSA-N 407.478 1.418 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC(C)(C)C1 1705612658 LQOZRNVYSXTVLH-QGZVFWFLSA-N 407.584 1.762 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1705612783 OZTYECBWLMCHLI-INIZCTEOSA-N 415.519 1.669 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H](C(C)C)N1CCOCC1 1705627169 XLUKMZBWJLZGPO-LJQANCHMSA-N 413.526 1.178 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCC[C@@H]2C)CC1 1705634940 NDDLJYNEHDZCBH-BWAGFHJFSA-N 417.554 1.237 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705662668 HBEJMJICKWZMGY-HXUWFJFHSA-N 412.519 1.661 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1705864867 AVWLQTDGYMWKIL-HXUWFJFHSA-N 413.551 1.999 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705890479 RRCZRDGVFXBOSI-ROUUACIJSA-N 402.543 1.491 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCC(C)CC2)CC1 1705900522 GTUUYXFODFJAMT-UHFFFAOYSA-N 424.553 1.738 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1707913451 CYVDRIBMDRGIHE-IBGZPJMESA-N 407.522 1.695 30 10 HDEE CCc1nnc(N2CCC[C@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709117157 YXSYNJMTHMXWAA-JVMRMLDLSA-N 413.526 1.432 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1712586339 USMGMGSKBVPZOV-LJQANCHMSA-N 422.493 1.625 30 10 HDEE COCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1712609452 GSOWFYXCVGZJNU-IBGZPJMESA-N 417.445 1.420 30 10 HDEE CO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1712678531 VTJZJXPOHZHHRN-JVMRMLDLSA-N 423.477 1.015 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722378111 ARMCLXHTBPOYSQ-HDICACEKSA-N 407.522 1.696 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](CC(C)C)N(C)C)CC1 1722428905 CPFCXLIBAPNGIY-LJQANCHMSA-N 415.586 1.246 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCCC2)CC1 1722436674 KPQHYFGVHPGYLZ-VQTJNVASSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1722452897 MAZAOSIJYHSOGJ-IRXDYDNUSA-N 404.584 1.799 30 10 HDEE CO[C@@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1729834663 QPVVNBKHGSKINT-HNNXBMFYSA-N 405.466 1.363 30 10 HDEE COCCn1cc(Cn2c(-c3ccccc3C)nnc2N2CCO[C@H](C#N)C2)cn1 1730770968 GLHDNYCVNKLFPU-GOSISDBHSA-N 407.478 1.874 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C1CC(C(C)(C)C)C1 1740608614 BYGZCIHXPBHIAM-GPANFISMSA-N 409.556 1.678 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1740616705 FROXLNSZCIJEAZ-LSDHHAIUSA-N 414.622 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2ccc(C)cc2n1 1740644618 NHNFAZGXROYZJC-UHFFFAOYSA-N 415.501 1.981 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1740661850 KVGXBLVTGDRNDP-HNNXBMFYSA-N 416.551 1.670 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1740671950 SIIPHRHTMAPQTB-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1740718164 ITJLHQNLISREFB-HNNXBMFYSA-N 414.535 1.195 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1740811093 LTXHUKWXZTUWQW-HNNXBMFYSA-N 417.963 1.091 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740896657 CZASEZXZUNHSBZ-UHFFFAOYSA-N 407.478 1.873 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740902791 ZGQIUQDPWCJTEA-OAHLLOKOSA-N 410.569 1.680 30 10 HDEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)cc1 1740965688 KWEGOOWXQVPFNP-KRWDZBQOSA-N 424.505 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](C)(CC)C1 1740986467 YPMQDLSVYCKDOU-LJQANCHMSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCCN(C(C)C)CC1 1740989112 AGDCYQNTSSNAFF-UHFFFAOYSA-N 418.567 1.861 30 10 HDEE CCOCc1nnc(N2CCO[C@](C)(c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1747221631 VVMLTPFGUIEOKI-FQEVSTJZSA-N 411.466 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1748656854 ZYGZDQBNHOTRIZ-IRXDYDNUSA-N 411.506 1.907 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(=C)Cl)[C@H]1CCS(=O)(=O)C1 1748818708 DWNJHUHKTHYYHD-INIZCTEOSA-N 405.911 1.643 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)CC1 1748991068 PRKIELNISZFKSX-UXHICEINSA-N 421.549 1.287 30 10 HDEE C=C(Br)Cn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749097580 DJBJADRBCOZQDL-UHFFFAOYSA-N 423.315 1.975 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1749154461 UTVJXPGVEQDXIA-HNNXBMFYSA-N 409.556 1.989 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1749230327 XAAHYCCCXRRUHV-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1749450498 JIWWIXNNFADAHC-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749682708 YUZOKIVECJKGMT-GQIGUUNPSA-N 423.583 1.951 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1750000242 GKXXHQDNJUEFTJ-UHFFFAOYSA-N 419.493 1.346 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1750570946 ALQMFYURZAJMGG-MRXNPFEDSA-N 400.458 1.509 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)N(C)C 1751152723 QQFGZLMDUKQZPY-AOMKIAJQSA-N 423.521 1.538 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(=O)N2)C1 1751272124 HGANSDDNQARQOZ-JLTOFOAXSA-N 408.466 1.334 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1760110039 KCAUODAVJJPJNX-INIZCTEOSA-N 410.503 1.777 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760182131 GWEITJUBEQRMKV-GVDBMIGSSA-N 410.540 1.080 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1760227406 DKHOWWAHFUZXGR-RXVVDRJESA-N 405.543 1.358 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCC2(F)F)CC1 1760252233 NZPXPANZDBPIRW-MRXNPFEDSA-N 408.497 1.997 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1760272348 HLKAYBKMWBAENV-INIZCTEOSA-N 406.556 1.135 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1760445490 LOISFUIHMXBZGI-ZNMIVQPWSA-N 417.601 1.811 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OCC)nnc1N1CCO[C@H](C)C1 1760527837 KFMLSPUMTDRKNI-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1760954853 BBOCFIUEQGAARR-MEUCICPISA-N 422.493 1.744 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1761283096 HZTGTTYQFVGREK-WOJBJXKFSA-N 420.489 1.287 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn(C)c1 1769566353 CWTZXPNLKBDKJC-FQEVSTJZSA-N 411.466 1.993 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1770788585 NBJDVYYDCZVTND-MRXNPFEDSA-N 421.498 1.815 30 10 HDEE O=C1Cc2cc(S(=O)(=O)NCC#CCOc3ccc4c(c3)OCO4)ccc2N1 1848659732 RCADAQJISGSWHD-UHFFFAOYSA-N 400.412 1.271 30 10 HDEE N#Cc1c[nH]c(=NC(=O)c2cc3n(n2)CCC[C@@H]3N2CCOCC2)c2ncccc12 1850776830 RTTIBDXLCBIZOW-KRWDZBQOSA-N 403.446 1.539 30 10 HDEE C=C1CCC(C(=O)Nc2c(C(=O)OCC)cnc3nc(N4CCOCC4)nn23)CC1 1851349045 RWLFZBOVMBMDKY-UHFFFAOYSA-N 414.466 1.823 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)[C@H]1CCN(C)C1=O 1851732591 XDNOOAAUJHHYKN-XLIONFOSSA-N 408.502 1.804 30 10 HDEE N#Cc1cnc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)c(Cl)c1 1852661805 YKBISRUKWHAHPK-QGZVFWFLSA-N 424.892 1.955 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)CC1 1852708440 MRDQXZMHOZRSGH-HXUWFJFHSA-N 424.611 1.408 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)CCn3cnc4ccccc4c3=O)C2=O)CC1 1853765208 GEWOVDMKFJLPST-LJQANCHMSA-N 407.474 1.540 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCCc4c3ccnc4N(C)C)C2=O)CC1=O 1853793560 RLBQHCOFBVGWQY-CRAIPNDOSA-N 411.506 1.062 30 10 HDEE CCn1nccc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854258239 ASFSTZRZHSRFOR-IBGZPJMESA-N 406.490 1.334 30 10 HDEE C=CCN1CCN(C(=O)CN(C)c2nc3cc(OC)c(OC)cc3s2)C(=O)[C@H]1C 1854282325 GOJIFHFMJFFPMS-CYBMUJFWSA-N 418.519 1.995 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccn2)C(=O)C12CCCCC2 1854415770 MPFGRLZTEPSUIE-HZPDHXFCSA-N 416.503 1.412 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854547207 RKQWMDGCEKRTIR-SJLPKXTDSA-N 409.552 1.359 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC[C@@H](Cn4nccn4)C3)CCC2=O)c1 1854722800 GONYCXYOZNXLHN-RTBURBONSA-N 406.490 1.941 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCCn2ncccc2=O)CCN1Cc1ccc(C#N)cc1F 1855019215 KPIDEQUHTGHGTQ-OAHLLOKOSA-N 411.437 1.294 30 10 HDEE C[C@H]1CN(CCC#N)c2ccccc2N(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1=O 1855402046 LMFRUGPPGBWFSR-WMLDXEAASA-N 404.492 1.340 30 10 HDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855719563 CTTQUUZJCIOVGJ-CYBMUJFWSA-N 417.418 1.826 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1 1856999651 QWJPHFRODWOCEU-PBHICJAKSA-N 403.914 1.982 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1857033605 DFMMICSDWCXOKA-AEFFLSMTSA-N 419.547 1.966 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857043072 KAFGHVHXORNBLG-HOTGVXAUSA-N 401.504 1.701 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccnc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857046673 UBCUUHWPFYTTRH-WBVHZDCISA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2conc2C2CC2)C1)[C@@H]1CCN(C)C1=O 1857074468 JUBSHQLWPJMWHE-RHSMWYFYSA-N 400.479 1.650 30 10 HDEE Cc1ncc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c(C)c1C 1857111088 WMNHVDIHRKGBHZ-IBGZPJMESA-N 405.458 1.778 30 10 HDEE N#Cc1c(NC(=O)COc2cn(CC(=O)O)c(C(=O)O)cc2=O)sc2c1CCC2 1857884150 GQQHGECNCNSTGA-UHFFFAOYSA-N 417.399 1.070 30 10 HDEE COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)ccc1O 1862630412 STMZXNVAZYVNAB-GOSISDBHSA-N 413.382 1.700 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2cc(=O)c3cc(N4CCCCC4)ccc3[nH]2)c1C#N 1866548591 XIVMDBSOUPIYNI-UHFFFAOYSA-N 401.430 1.853 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867289180 SDFNSCBKCDSKOH-ZDUSSCGKSA-N 417.347 1.954 30 10 HDEE C=CCn1cc(OCC(=O)N(CC)CC)c(=O)cc1CN(CCOC)CCOC 1870630235 KIQFWLWKACVFPO-UHFFFAOYSA-N 409.527 1.376 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(CCNC(=O)OC(C)(C)C)CC2=O)nc1C 1872724786 RNJWKDBHFNEBEU-UHFFFAOYSA-N 410.496 1.665 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(OC)ccc1OC 1874434251 VUDYCPJCJDHPLD-UFWORHAWSA-N 407.452 1.079 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1)N(c1ccccc1)S(C)(=O)=O 1890870069 ULDAWMGYMPATRL-CRAIPNDOSA-N 414.487 1.788 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)O 1900028465 UINOWWLGLZZHME-UONOGXRCSA-N 401.504 1.848 30 10 HDEE CC[C@](N)(C#N)Cn1cnc(I)c1I 1907042964 SKBIZSPBIGPZGE-QMMMGPOBSA-N 416.004 1.723 30 10 HDEE CC[C@H](C#N)S(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1957293693 BGYBJLOWVLFYTJ-CYBMUJFWSA-N 420.532 1.626 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010397708 UCGFMTQQBKFDSR-ZDUSSCGKSA-N 422.291 1.254 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)(F)F)S(=O)(=O)N1CC[C@H](C#N)C1 2118165762 FNDZVJVGMYSHGR-LLVKDONJSA-N 400.423 1.466 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)N2CC(C#N)C2)C1(C)C 2174783991 JEGRZRQIRQUDHD-SRGMZFCMSA-N 420.557 1.478 30 10 HDEE COC(=O)[C@@H](CCNS(=O)(=O)CC1(C#N)CCCC1)NC(=O)OC(C)(C)C 2174784235 LXKGYMJMQMKWJR-CYBMUJFWSA-N 403.501 1.446 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@H]1COC[C@@H]1C(=O)N[C@@H](C(=O)O)C(C)(C)S 2195307146 OVXUQXZWWJOFAU-AVGNSLFASA-N 404.529 1.926 30 10 HDEE C=C(CS(=O)(=O)N(Cc1ccccc1)CC1(O)CNC1)B1OC(C)(C)C(C)(C)O1 2243434576 AGVKQCKDDVTAJH-UHFFFAOYSA-N 422.356 1.340 30 10 HDEE CN(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243494218 YXRNDDLDUBAWEJ-UHFFFAOYSA-N 406.292 1.373 30 10 HDEE CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247660233 IOUOFADIOPIXGK-HUUCEWRRSA-N 419.331 1.967 30 10 HDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2247827231 GERMEQCRWNAPID-VXGBXAGGSA-N 418.303 1.304 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247838214 FCOLRMOLXPLMKN-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE CON(CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247914759 QCRLRQCIIWPLPB-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247918894 RMYRIJQLJCFEKB-UHFFFAOYSA-N 420.319 1.885 30 10 HDEE N#CCC1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258157572 WAGKFSPAOYRJIP-INIZCTEOSA-N 409.464 1.321 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267104401 WJIVKSYPSWULFB-UHFFFAOYSA-N 407.750 1.817 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCCS(C)(=O)=O)sc2Cl)OC1(C)C 2267546197 STRSIWBKWOJKMN-UHFFFAOYSA-N 407.750 1.865 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC(F)(F)CO)cc2Cl)OC1(C)C 2267708201 GCDYXRKORCGXTM-UHFFFAOYSA-N 417.692 1.607 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSC[C@H]2CCO)OC1(C)C 2282416973 DIODOWNYLPLNDG-GFCCVEGCSA-N 419.399 1.536 30 10 HDEE C=C(CS(=O)(=O)N=[S@]1(=O)CC[C@]2(CCCN2)C1)B1OC(C)(C)C(C)(C)O1 2282501971 DXEIOPDEXBMKTE-CPJLOUKISA-N 404.363 1.498 30 10 HDEE CN(CCOC1CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504457 OXZSVZNQCNQWPU-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@]2(C)CCCN2)OC1(C)C 2282838670 SFVBXTKVYBSYGX-MRXNPFEDSA-N 401.363 1.004 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3COCCO3)cc2Cl)OC1(C)C 2282844371 CGMAZBRYNPYUJD-JTQLQIEISA-N 423.749 1.394 30 10 HDEE CO[C@H]1COC[C@@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852374 OKFVMXIUYZDJAF-RYUDHWBXSA-N 403.331 1.082 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2282867035 SGCPMQYUCITYQJ-STQMWFEESA-N 401.359 1.892 30 10 HDEE C[C@@H]1C[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869448 CUMBQONEPNIXEZ-TZMCWYRMSA-N 401.359 1.722 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282888408 OFSJXYSUAIGXNR-CYBMUJFWSA-N 400.375 1.607 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1C(=O)O 2284396635 DUBLUQAFXDCQEI-WDEREUQCSA-N 401.315 1.389 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1C(=O)O 2284398991 DYHIZWLGLVBHPB-RYUDHWBXSA-N 401.315 1.435 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401471 AWRQQQGZRACYKY-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccccc1O)n2C[C@@H](O)c1ccccc1 2327754001 LQXXIZHXQMDZKN-MRXNPFEDSA-N 420.429 1.721 30 10 HDEE Cn1cccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 2327842617 UBFSEAMIHGEYCM-GFCCVEGCSA-N 403.512 1.191 30 10 HDEE CCCN[C@@H](C#Cc1nccs1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363526909 NCKGLYWIWVQSOI-HOCLYGCPSA-N 413.565 1.801 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367795903 GQMSCWRUVMSRLW-SCLBCKFNSA-N 401.481 1.436 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369961291 SCSFBTHGELMSKX-SECBINFHSA-N 423.749 1.682 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(CCN(C)C(=O)OC(C)(C)C)C(=O)O 2372916900 MVALNXZDOVSOAC-RDTXWAMCSA-N 404.529 1.762 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@@](CCC)(CNC(=O)OC(C)(C)C)C(=O)O 2375230959 ZDLMEWXYRYPBRS-KSSFIOAISA-N 402.513 1.257 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379815656 IGEOZQGPCSEDRR-UHFFFAOYSA-N 400.541 1.919 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccccc2OCc2ccccc2)C1=O 53270602 JHARWACMWMRHFD-UHFFFAOYSA-N 407.426 1.859 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@H](c1cccc(F)c1)N1CCOCC1 78873976 FFFDKBTXHADTET-LJQANCHMSA-N 404.467 1.830 30 10 HDEE Cc1cccc(CN(Cc2cccc(C)n2)S(=O)(=O)N2CCO[C@@H](C#N)C2)n1 409500933 PULANIPKRPMYFR-IBGZPJMESA-N 401.492 1.565 30 10 HDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)c(C)c1 409721229 GMQGBARYSOFMQX-IAGOWNOFSA-N 410.478 1.466 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 426864769 QGPAGLLAHXUTIM-KRWDZBQOSA-N 400.460 1.640 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C 447265132 FJZLVHUEQBLORA-UHFFFAOYSA-N 423.336 1.451 30 10 HDEE COc1cc(CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)ccc1C#N 460680159 RIEJQIJKYXGDMP-UHFFFAOYSA-N 408.524 1.959 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C#N)nc2)C1 462721137 LFTIYGGPTDTJDS-GFCCVEGCSA-N 404.414 1.765 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 465396172 DBWFEUDDXYPBCL-QGZVFWFLSA-N 420.473 1.599 30 10 HDEE CCOC(=O)CC1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCC1 469102860 ZDWHPTGCSKMUMA-CQSZACIVSA-N 407.492 1.607 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)CC1 474206778 AJFRVVVRAOBVTG-XUFQIKLRSA-N 423.538 1.785 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)CC1 474210148 JGKRWZYPFMLSDB-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE Cc1nc(SCC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c(C#N)c(C)c1C 474775337 MMDXFFLAXYFXFB-KRWDZBQOSA-N 402.520 1.867 30 10 HDEE N#Cc1ncn(CC(=O)NCc2ccc(I)cc2Cl)n1 478521865 MHGFEEGSDKSLNP-UHFFFAOYSA-N 401.595 1.724 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(N4CCOCC4)n3)cc2C1=O 479037361 YKPYKGYFAJEMFX-UHFFFAOYSA-N 406.442 1.630 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-n2cncn2)cc1 479934824 XOADIQYMLUZQLV-GJZGRUSLSA-N 424.486 1.683 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCCN2C(=O)COc3ccccc32)c(F)c1 481025227 LZURLYGLSHETBV-UHFFFAOYSA-N 403.435 1.932 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(COC)(C(=O)OCC)CC2)c1 481495611 DSVDUHUULLWYEB-UHFFFAOYSA-N 424.519 1.583 30 10 HDEE CN(CCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)S(=O)(=O)c1cccs1 503608440 KDGOHJWOSNXMAY-QGZVFWFLSA-N 415.537 1.746 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC[C@@H]1c1ccccc1I 511911608 VCZDOOYUWCGEMM-CYBMUJFWSA-N 412.231 1.777 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 525265798 PUQPYTXUBFGUIR-INIZCTEOSA-N 409.467 1.426 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(Cc3nccn3C(F)F)CC2)c1 533148449 NIUUVSZKTSAHMP-UHFFFAOYSA-N 409.462 1.741 30 10 HDEE Cc1nn(C)c(C)c1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 536777830 QWHXLZYKFOVUNN-UHFFFAOYSA-N 402.480 1.447 30 10 HDEE CNC(=O)Cn1cc(NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 540087298 XRIUIJVXIAEERV-UHFFFAOYSA-N 418.461 1.403 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4ccc(F)c(C#N)c4)CC3)C2=O)n(C)n1 551264772 JPOMOGDBURLOGE-LJQANCHMSA-N 424.480 1.693 30 10 HDEE CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 559044468 ZFKNFVWTPGKWBP-QGZVFWFLSA-N 411.462 1.757 30 10 HDEE COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2cccc(C#N)n2)CC1 571130945 SRRLFZNPUGVQGE-LJQANCHMSA-N 410.474 1.726 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)CC2)cc1 582434031 DDJCLOAAMWROBE-UHFFFAOYSA-N 404.426 1.924 30 10 HDEE CN1CCN(C[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2)CC1 585719505 XJJJAJYEKJFLEY-NRFANRHFSA-N 423.492 1.418 30 10 HDEE C[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)N1CCc2sccc2C1 585729557 UDYRMOVNNBLWMP-CYBMUJFWSA-N 400.479 1.938 30 10 HDEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)NC[C@H]2CCCO2)sc2c1CCCC2 586298276 KFUKWUOTZVNULO-KHXSAUHESA-N 409.533 1.481 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(OCC)OCC)nc1C 586305594 ZFPIGFWQSSNCLL-SANMLTNESA-N 404.510 1.881 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609640545 BFELWFUTHVBAKX-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE CN(Cc1ccc(C#CCO)cc1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703970462 QMGDWUPAYQSIAE-UHFFFAOYSA-N 412.467 1.088 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730142785 PHFCZHOGLXXQPM-KRWDZBQOSA-N 406.552 1.949 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 732190517 JBDLOFDCAUSUPN-LJQANCHMSA-N 409.490 1.614 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 741217892 IVEQQMOYUCJRTO-SJORKVTESA-N 423.435 1.972 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)NCc1ccc(Cl)cc1 741340488 DBIFJAGVJODIHF-KRZJZYHWSA-N 405.838 1.804 30 10 HDEE COc1ccc(CCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1OC(F)F 746196222 HDYYBQUSJRUXJC-ZCXUNETKSA-N 409.389 1.872 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)C1 748184519 PLJJKVNHSIQDFZ-SFHVURJKSA-N 416.478 1.169 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2cnc[nH]2)CC1 751399120 YFDOBGJYFVPFHC-UHFFFAOYSA-N 401.492 1.635 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=Cc1cnn2cccnc12 755464568 XWMBCYYOUKSFNT-UHFFFAOYSA-N 415.435 1.868 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)C1 758775939 XLHIPDFTXBZRSB-QXSJWSMHSA-N 405.499 1.446 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 760848543 DSVLMXZJYOZFST-JXMROGBWSA-N 411.487 1.687 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c1 766139292 AUKOTLYUJOEJHY-INIZCTEOSA-N 406.504 1.792 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OCC(=O)c1ccc2c(c1)OCO2 767681042 PNTUCBBPIORWGM-GFCCVEGCSA-N 416.411 1.380 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N(c1ccc(F)cc1)[C@H]1C=CS(=O)(=O)C1 770029762 BHSMOECIRLWJEP-INIZCTEOSA-N 417.418 1.537 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCc2nnnn2C)C1=O 771543810 NOXINBCSQUQRMH-JMNHGVSOSA-N 407.525 1.011 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCN(Cc2cccs2)C1)[C@H]1CCS(=O)(=O)C1 774185432 DLXRAFDEEBYYBK-SJORKVTESA-N 409.577 1.792 30 10 HDEE C#CCN(C(=O)NCCOc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 774187316 MAVPCOHPUVBEEQ-AWEZNQCLSA-N 415.309 1.660 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 774689781 RJJDHOOQHRMRAJ-ROUUACIJSA-N 414.462 1.322 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)cc1 780892086 CIXQFAXALLOKQO-DENIHFKCSA-N 423.469 1.582 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 781001496 OAPDEHVLYFVNDT-ACRUOGEOSA-N 404.470 1.307 30 10 HDEE C#CCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@H]3CCCO[C@@H]3C2(C)C)CC1 783625374 RFDBVFKHTVXOKS-PNLZDCPESA-N 405.539 1.862 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 788852024 JHSBIAZOZSGBAC-INIZCTEOSA-N 418.519 1.839 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)n1 789110529 ZOZJMSGFNBRMAW-LJQANCHMSA-N 401.511 1.608 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 789976997 VMZLGAISEKUGDQ-UHFFFAOYSA-N 416.831 1.580 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(CC(=O)N2CCOCC2)CC1 790138481 IXFDGPITLMNITH-UHFFFAOYSA-N 409.408 1.060 30 10 HDEE C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 794734794 OTEAFBBCHVDQFA-MFOYZWKCSA-N 402.520 1.533 30 10 HDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 799859308 OOUYQKNJEWJJEB-XHDPSFHLSA-N 424.473 1.900 30 10 HDEE COCCn1c(CCC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 802382143 RLFPTYITQGUOIY-UHFFFAOYSA-N 400.531 1.753 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 913109513 MQWSFTPHUIFNIC-UHFFFAOYSA-N 400.460 1.312 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)C1(C#N)CCSCC1 1128156059 NSNFKGAMWGILNR-UHFFFAOYSA-N 409.533 1.905 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1129605132 PMCAPXYYQRPXKO-NRFANRHFSA-N 421.388 1.450 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](COC)C2CCOCC2)ccc1F 1131087872 OYTPTULEJYNPBE-MRXNPFEDSA-N 400.472 1.461 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN1C(=O)COc2cc(Br)ccc21 1132452800 YJLMZRZENKTEFC-UHFFFAOYSA-N 410.224 1.090 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCN(Cc2ccccc2)C1=O 1137537383 MZHDCKQLPCYWIV-WMZOPIPTSA-N 404.474 1.434 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@]3(CNC(=O)C3)C2)C1 1139541062 NKGURPCGYDEYHU-SFHVURJKSA-N 403.280 1.496 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)s1 1139988505 ACUMOTURBDUDBK-CXAGYDPISA-N 400.522 1.161 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2c(C)nc3cc(O)nn3c2C)c1 1146301445 ZLBYMAONGVYSFD-UHFFFAOYSA-N 412.471 1.779 30 10 HDEE O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157813838 MDZMJEHBTVUNTL-QYNIQEEDSA-N 416.290 1.308 30 10 HDEE CN(C)C1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1196981145 GKBDONCTGNAYCA-HXUWFJFHSA-N 401.530 1.951 30 10 HDEE C=CCCn1cc(CN2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)nn1 1204865825 GJKGUKIKKXYPQQ-UHFFFAOYSA-N 418.567 1.259 30 10 HDEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1208723072 KWXXTDKNBSZQFV-CYBMUJFWSA-N 402.490 1.770 30 10 HDEE CN(C[C@H](O)CN(C)S(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 1213408297 LBOCWUGRNAJKGV-ZDUSSCGKSA-N 401.460 1.546 30 10 HDEE COC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCOCC1 1248374475 ARXIOCKHFQEYOA-OALUTQOASA-N 400.479 1.400 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)C 1286275181 PZZHUEVXGHYDEY-CYBMUJFWSA-N 401.467 1.517 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccnc2OC)CC1 1286470783 CBVCGVQJMBPKQB-KRWDZBQOSA-N 414.510 1.209 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H]1CCOC1 1286501131 NFVZLOQNXKJVFP-QGZVFWFLSA-N 410.507 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCCNS(=O)(=O)CC 1286525228 IVVHWVABENYIOT-VQIMIIECSA-N 409.556 1.841 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286601010 RUZVPISNSVUJCY-MRXNPFEDSA-N 401.515 1.971 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(OC)c(O)c1 1286785340 JGFIHIZAVYWFSM-UHFFFAOYSA-N 408.462 1.993 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)c(Br)[nH]1 1295452403 DIMUWZFRXWZYLU-UHFFFAOYSA-N 400.092 1.870 30 10 HDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1297489518 MZSPSXGJHUEOER-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE Cc1nc(NC(=O)Cc2ccc(Br)cc2C#N)c(C(=O)NCCO)n1C 1297489953 XXKIHWJKMZNFTL-UHFFFAOYSA-N 420.267 1.266 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(S(C)(=O)=O)CC1 1297558439 TVSDMIDKWYUCNE-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCN1CC=CCC1 1298283609 IZEWJHGYMKEFMY-LJQANCHMSA-N 405.506 1.999 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc21 1298662189 YKACMNIWOUHLCY-UHFFFAOYSA-N 419.489 1.533 30 10 HDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)nn1 1299675174 POEKCXDSTZQLHO-UHFFFAOYSA-N 403.508 1.328 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C#CC(C)(C)C)CC2)cc1 1300445050 STIAHVTVVLZQDA-UHFFFAOYSA-N 407.536 1.313 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](C)N1CCCCC1 1300537259 BYXPRPNKCYBFQI-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1300603993 ZREQWPQZAWYNMH-HXUWFJFHSA-N 401.515 1.785 30 10 HDEE Cc1ccc(C(=O)NCCS(=O)(=O)C(F)(F)F)cc1B1OC(C)(C)C(C)(C)O1 1300654224 XPRHFLIEEBJQJJ-UHFFFAOYSA-N 421.246 1.959 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(O)CCCC1(C)C 1300654232 VONBBHBVLPGWPT-YADHBBJMSA-N 420.554 1.957 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2(N(C)C)CCOCC2)CC1 1300699496 DOIWXGFJZWCFLQ-UHFFFAOYSA-N 402.587 1.733 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1301261576 JHAPMTPMIQBXMQ-JKSUJKDBSA-N 424.571 1.243 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncn(-c2ccccc2)n1 1301272010 AEQPROYXCBSZPI-AWEZNQCLSA-N 416.511 1.140 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1301508879 WRNPZHFLRUFGOD-UHFFFAOYSA-N 424.530 1.968 30 10 HDEE COCCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301530830 WBHDUMXYALOTEK-QGZVFWFLSA-N 403.531 1.410 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](OC)C1 1301593475 ODMFQURPWZMTBZ-QGZVFWFLSA-N 424.498 1.822 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(N3CCN(C)CC3)ccn2)cc1 1302317168 QWZSAZRXKYCCQI-UHFFFAOYSA-N 415.519 1.550 30 10 HDEE Cc1ccc(-c2nnc(N(C)[C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)o1 1304298736 PUTDKVDVEBOJMF-ZDUSSCGKSA-N 401.448 1.983 30 10 HDEE CC1CCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1305102029 MHMAOBMBVYVSCO-SFHVURJKSA-N 410.526 1.976 30 10 HDEE CC[C@H](CC#N)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1307825113 DXHFTTYCWBCGCC-LJQANCHMSA-N 418.563 1.680 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCOC1 1316537091 ZSKZIFIJWDJLCX-IRXDYDNUSA-N 407.540 1.737 30 10 HDEE C[C@]1(c2cccc(CNC(=O)NCc3cccc(OCC#N)c3)c2)NC(=O)NC1=O 1322829142 URWTUDUGHLMWIP-OAQYLSRUSA-N 407.430 1.643 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)CC2=O)cc1 1333264124 MDKLSWSTCATDGP-QRQLOZEOSA-N 409.442 1.855 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC12CCCC2 1352575530 VYPLEMIXAREWHZ-IBGZPJMESA-N 418.475 1.902 30 10 HDEE C=CCCn1cc(C(=O)N(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)nn1 1354251501 GBCFBPLWVXDWOG-UHFFFAOYSA-N 412.494 1.792 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC2=O)cn1 1355540392 KSDFEWBKTISCMG-CABCVRRESA-N 416.482 1.135 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C\c2cc(C(=O)OC)co2)c1 1356458579 YARGSDWYXUQMSM-FPLPWBNLSA-N 422.437 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1358869281 FZCJQVYXLSEEMM-ROUUACIJSA-N 402.543 1.473 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@H]1COCCO1 1358989509 FKGIJLRGORPUQH-IBGZPJMESA-N 422.485 1.985 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)Nc3ccccn3)n2C2CC2)n1 1359027621 PHZWKDZWNJRJBA-UHFFFAOYSA-N 420.477 1.743 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)[C@@H](C)CC)CC1 1359027954 BMDSDFNCFZQFOI-UWJYYQICSA-N 402.543 1.066 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2Cc2ccn(C)n2)CC1 1359038214 NOCDKOYOIGDZFZ-UHFFFAOYSA-N 403.534 1.990 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)N(C)C2CC2)CC1 1359043912 NQXAPTFGJRGYEK-INIZCTEOSA-N 409.538 1.722 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1359133521 UENCBSZJERNREX-RTBURBONSA-N 407.559 1.922 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)SC)CC1 1359165426 OLWVAHKTBROVJL-CABCVRRESA-N 415.585 1.519 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1359172174 NFBKTWUUWPBCGP-QGZVFWFLSA-N 421.567 1.884 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1359214026 PQQSNAZZPMJGRH-HNNXBMFYSA-N 421.505 1.860 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(N)=O)c1 1359271797 DRRJXYJLFLWPQK-KRWDZBQOSA-N 415.519 1.506 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(CC(=O)N(C)C)CC1 1359297715 ZQZQGTYTCCIQIS-UHFFFAOYSA-N 413.526 1.281 30 10 HDEE N#Cc1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)ncc2c1COCC2 1436894034 HPMRQHLTDBPVLM-UHFFFAOYSA-N 407.352 1.953 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1439108081 UQOLNLYWFLRNTI-HNNXBMFYSA-N 408.499 1.311 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455167175 OZNGGRZCADHCFN-AWEZNQCLSA-N 417.491 1.720 30 10 HDEE C[C@@H](C(=O)N1CCc2c(sc(N)c2C#N)C1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1456735472 PZTJFEIAWRJFGC-BXUZGUMPSA-N 408.524 1.951 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1C 1458808976 HSDNKINNHFWJAO-APPDUMDISA-N 409.537 1.756 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)CC1 1462124628 CJFZMGGUVZEHNG-UHFFFAOYSA-N 405.520 1.742 30 10 HDEE CCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@@H]1CCS(=O)(=O)C1 1463968427 QNHFSNCCABYIDI-GFCCVEGCSA-N 402.469 1.162 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2csc(N(CC)CC(C)C)n2)CC1 1464851711 ZVGMPJXTICUPII-UHFFFAOYSA-N 419.595 1.452 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1468327749 HIMHEZLSILWZHA-DLBZAZTESA-N 410.854 1.609 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)C1CCN(C)CC1 1468381320 GQGCSMZANJFLHA-OAQYLSRUSA-N 402.514 1.938 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CC(N4CCOCC4)C3)C2)C1 1469316089 HNOBRTCZUBCHHS-UUJYYEOOSA-N 418.538 1.753 30 10 HDEE N#Cc1ncn(CCNC(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)n1 1470102105 HQMJNTMZDXATNX-CYBMUJFWSA-N 418.255 1.165 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1)c1ccc(F)cc1 1470658015 TVUXOIBIENZHRA-MSOLQXFVSA-N 410.515 1.754 30 10 HDEE Cn1ncnc1C1(O)CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1471669900 JDDPOAICUDGYOK-UHFFFAOYSA-N 417.491 1.016 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)cc1C(F)(F)F 1475375329 FWEOLUGAYATYMI-KBPBESRZSA-N 424.422 1.154 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC[C@]2(C(=O)OC)C[C@@H]2S(C)(=O)=O)cc1 1475638192 QVUHZONAINQXBY-DOTOQJQBSA-N 401.506 1.060 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)CC1 1477242404 ILWNYLRFRCGZDV-SFHVURJKSA-N 417.506 1.247 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1477631280 RWJPDDJNEBNZNQ-WFXMLNOXSA-N 412.534 1.833 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C)n(C)c2=O)n1 1492731832 DKVJSIQNVRXIKP-INIZCTEOSA-N 408.510 1.934 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CNC(C)=O)CC1 1507583658 UKGICCVKYZLESE-UHFFFAOYSA-N 412.494 1.772 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1CCC(=O)N1 1507642918 CUAZNFYFMPRRLK-CQSZACIVSA-N 415.295 1.398 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1507666685 FBMJWIUVFMTRLL-MOPGFXCFSA-N 412.538 1.049 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCO[C@H]1C 1507714710 STKYGOCLBVGWBI-PGRDOPGGSA-N 414.506 1.791 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccn(C)n2)CC1 1507730917 YUVNTZICNLJYIP-UHFFFAOYSA-N 411.460 1.684 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507785349 QAULVFNMRWHXBX-QWHCGFSZSA-N 419.345 1.704 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1507836063 VTMCZGQIEYLTOE-MRXNPFEDSA-N 405.499 1.496 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1508062877 SORNKQBDDIUDTE-UHFFFAOYSA-N 406.494 1.884 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508070958 GUBQQIZJMNOILC-AWEZNQCLSA-N 400.483 1.622 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508078270 XOPWOWRDBFOVEQ-SFHVURJKSA-N 408.506 1.621 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1508095085 LEEMPAGCUDJSKQ-SFHVURJKSA-N 410.522 1.328 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098861 SATZPSZUPFPSAT-JXFKEZNVSA-N 423.583 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1508132260 WFODWQVWEUIWPJ-PMPSAXMXSA-N 409.556 1.640 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1517629155 HOJCFXTYNGJYKP-QGZVFWFLSA-N 418.523 1.577 30 10 HDEE CO[C@H](Cc1ccccc1)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1517785677 DLTPAEOBLCLESR-QZTJIDSGSA-N 405.462 1.722 30 10 HDEE N#Cc1ccccc1Oc1ccccc1COC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1525886479 WZUSDBRHNQYTHB-HNNXBMFYSA-N 400.412 1.307 30 10 HDEE CS(=O)(=O)C1(C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)CCOCC1 1535445853 FGMOXSCFJWBAIS-ZDUSSCGKSA-N 406.382 1.860 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 1535553049 PKGDIYMYTWZXEQ-MRXNPFEDSA-N 409.471 1.934 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)nc1 1536937859 BAEXRQOBIQWAKG-UHFFFAOYSA-N 414.469 1.962 30 10 HDEE C=CCc1ccc(OCC(=O)Nc2ccc3c(=O)n(C)c(=O)n(C)c3c2)c(OC)c1 1538239994 GOBDXYZSLXDMJE-UHFFFAOYSA-N 409.442 1.992 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCn2cncn2)c1 1539043668 SQXJDGGGEHKXAF-UHFFFAOYSA-N 406.494 1.825 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1Cc1nnnn1CC1CC1 1539311203 DBKJTUXSCVAPFH-UHFFFAOYSA-N 416.489 1.861 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCO[C@H]1C 1539331520 RVGYKOHPKNVFMK-WMZHIEFXSA-N 408.502 1.902 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1539371820 JWRWARXFGTVIPG-LJQANCHMSA-N 406.483 1.017 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCCNS(=O)(=O)CC 1539549838 VLGJJRQBFSNGDS-LJQANCHMSA-N 402.524 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC1CCOCC1 1540902489 KXJRRPXRCCHAQW-KRWDZBQOSA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1C(C)(C)C 1540908315 FNYKVTLWPGYQJV-UHFFFAOYSA-N 418.585 1.190 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1541109665 JFBKYCKOZCJUOE-BHYGNILZSA-N 413.478 1.852 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)COCCO1 1541512300 FUVGVKLWYKIWJP-FQEVSTJZSA-N 406.531 1.988 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)nn(C)c2C)cs1 1542925804 HJRDBLCSPGCFEA-MRXNPFEDSA-N 412.523 1.761 30 10 HDEE CCOCCOC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1544372166 PRPTXICCWFAIFW-HNNXBMFYSA-N 409.508 1.269 30 10 HDEE CCCNC(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1547262504 RMRPABVASUBUHX-NHCUHLMSSA-N 418.542 1.975 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CCOCCS(C)(=O)=O 1554346474 FLGXJMICSIWJJV-UHFFFAOYSA-N 420.539 1.475 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1554827010 SEPXAEWQPAJMMD-BBRMVZONSA-N 411.466 1.538 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@H]2CCCOC2)c1 1555987170 BWIVRTMDQWVGOL-MRXNPFEDSA-N 401.492 1.478 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccc2F)CCO1 1555993067 HKPISTSQJAHGQP-HOTGVXAUSA-N 419.482 1.291 30 10 HDEE N#C[C@@]1(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CCc2ccccc2C1 1556242947 CBZYQDDQOZLMJP-OAQYLSRUSA-N 411.483 1.563 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CO)NC(=O)c1cccc(F)n1)c1ccc(Br)cc1 1556781456 GWARVKCQOJPVKK-HIFRSBDPSA-N 420.238 1.565 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](CO)c2ccc(OC)cc2)ccc1F 1556958782 PRPBATLEDRDNHU-INIZCTEOSA-N 422.478 1.805 30 10 HDEE CNC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccc(F)cc1C 1557187708 VQLXVEQXCHZSNM-RLBWVDARSA-N 416.453 1.072 30 10 HDEE Cc1ccc(C(=O)NCCCN(C)CCN(C)C)cc1B1OC(C)(C)C(C)(C)O1 1570057341 CMSRDOUXVDWRKC-UHFFFAOYSA-N 403.376 1.908 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@](CC)(COC)C(=O)OC)ccc2c1=O 1570104368 FZENYVBCRRJQKE-IBGZPJMESA-N 405.476 1.569 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1583798755 GLGWXRJFIBKREW-UHFFFAOYSA-N 414.487 1.116 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@H](CC#N)C2)cc1C 1584317521 GSWFCJHOLQCYIT-AEFFLSMTSA-N 420.535 1.368 30 10 HDEE C#C[C@H](NC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1585149098 SVFWXPJLEPMDPU-DEXQXJORSA-N 412.552 1.679 30 10 HDEE C#CCN(C(=O)C1=NN2CCCN=C2N1)[C@H]1CCOc2ccc(Br)cc21 1586216245 BJNLSHSBQOCWAP-AWEZNQCLSA-N 416.279 1.713 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2)C1 1587861292 JLCNVSQSBYAGIR-MSOLQXFVSA-N 405.568 1.658 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(C(F)(F)F)n[nH]2)cc1 1587992117 MBCWICMOFMPTQK-UHFFFAOYSA-N 401.370 1.550 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C3CCOCC3)ns2)cc1 1588195983 AXETVLFAWWOIEB-UHFFFAOYSA-N 421.504 1.876 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1588265554 CZKLYSGBCNEOJP-QWHCGFSZSA-N 401.483 1.783 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](CC)OC)CC1 1588806292 MBBBWLLRIRYYNI-HNNXBMFYSA-N 400.483 1.186 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OCC)cc2)CC1 1588806658 YUXFOUYWDVYDNA-UHFFFAOYSA-N 403.490 1.937 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CCC(C)(C)O)CC1 1588871650 LIJMGNALIVOSQD-UHFFFAOYSA-N 413.522 1.782 30 10 HDEE C=CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1595054075 AGEXOJOAJPRKLL-INIZCTEOSA-N 417.535 1.893 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1595219157 QVGPIMLYMJLVFD-AWEZNQCLSA-N 401.920 1.542 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1595536694 FPVUJIQCTYTFHH-KRWDZBQOSA-N 402.543 1.981 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1595871507 SZYVRNYQRDBMOK-UHFFFAOYSA-N 402.528 1.506 30 10 HDEE CC[C@@](C)(COc1ncccc1Cl)NC(=O)CCn1cc(C#N)c(O)nc1=O 1596926197 CVLUDSCFMOXYMC-SFHVURJKSA-N 405.842 1.623 30 10 HDEE CC(C)CCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1607217552 JIMPQVJQWAPELS-YOEHRIQHSA-N 416.523 1.393 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccc(Br)cc3)C2)c(=O)nc1O 1607490633 YWKRVSHKRYMCKV-UHFFFAOYSA-N 405.208 1.045 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC1 1611772395 TYTABJJDPSMFGJ-JKSUJKDBSA-N 407.540 1.737 30 10 HDEE Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1612560657 XLPPIOWNXCJWDP-IAGOWNOFSA-N 406.556 1.921 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1c1nncn1C 1614978224 DNRPXYFVHVRYNF-QGZVFWFLSA-N 419.493 1.813 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2CC(O)(c3cccc(Cl)c3)C2)CC1 1615209800 VYEALFHXPGFZBV-UHFFFAOYSA-N 403.910 1.221 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCN(Cc4ccccc4)C3=O)CC2)c1C#N 1616431277 YMSISTVKQLNGMC-GOSISDBHSA-N 406.490 1.298 30 10 HDEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)n1 1618434562 CPSJDIMJOHDHKX-UHFFFAOYSA-N 406.450 1.732 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N(C)Cc2nnc3c(=O)n(C)ccn23)cc1 1620573469 MJFMCBQBMLFHMU-INIZCTEOSA-N 407.478 1.504 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(S(=O)(=O)c2ccc(C#N)s2)C1 1622632328 JTLJTUXTVBEMLH-INIZCTEOSA-N 401.510 1.660 30 10 HDEE COC[C@@]1(C(=O)NCCNc2ccc(C#N)cn2)CN(C(=O)OC(C)(C)C)CCO1 1624216776 NMLJWSHUELMXIG-HXUWFJFHSA-N 419.482 1.134 30 10 HDEE CN1CCC[C@](O)(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 1624893711 ZMOHQOOCPDBZOL-MXTRNAPSSA-N 408.524 1.285 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 1629070090 CZKYITYPXOREFR-UHFFFAOYSA-N 407.517 1.882 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C1(C(=O)Nc2c(F)cccc2F)CC1 1631921437 UYBRGZHCGRHRIX-UHFFFAOYSA-N 402.405 1.952 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@@H]21 1632871598 GYFQBZMYZMUUBD-MELADBBJSA-N 401.891 1.528 30 10 HDEE C#C[C@H](NC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)[C@H]1CCCO1 1634529327 ACZPUVGZTRRLBX-YQQAZPJKSA-N 403.483 1.761 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 1640541778 FYFJESPUTXUTFM-AUUYWEPGSA-N 417.462 1.964 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@H](O)c4ccnn4C)CC3)cc2C1=O 1641143399 HRZPLICUBZQNDM-IBGZPJMESA-N 408.458 1.788 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H](c4nnc(N)o4)C3)CC2=O)cc1Cl 1642473155 QGIRCXBFPSVGRQ-CHWSQXEVSA-N 414.853 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1644136352 WJGKANXSQFUMKA-OAQYLSRUSA-N 415.494 1.628 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CCc2c(sc(N)c2C#N)C1 1646251006 PJIGKLJABBEWFX-UHFFFAOYSA-N 410.503 1.911 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1670015009 HQSQAOWFRDIUGZ-MRXNPFEDSA-N 412.533 1.050 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1675450686 PNTWZBWLWRFACC-RTWAWAEBSA-N 406.486 1.699 30 10 HDEE C#CCN1CCC(NC(=O)NCCNC(=O)c2ccc(Br)cc2)CC1 1675736561 JKLCGBOWCOVBHN-UHFFFAOYSA-N 407.312 1.576 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@H]12 1676809664 NBOZYDNSXKFXHS-FYFHQIHISA-N 400.523 1.285 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H](CN4CCCC4=O)C3)C2=O)cc1 1680778429 DLWAXZRRHUYCHU-MOPGFXCFSA-N 409.490 1.313 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)n1 1685935018 YAQLGSKNGNCAAY-MRXNPFEDSA-N 407.515 1.978 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1)C1CCOCC1 1687126368 LWGHAOLWVRKPNE-OXQOHEQNSA-N 416.497 1.908 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccnc1-n1cccn1 1689948468 WZGGKMAQENBGKE-NRFANRHFSA-N 407.478 1.629 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CC[C@H](C(F)F)N1CCOCC1 1690011634 XHNUTJCIVUANSL-GOSISDBHSA-N 414.460 1.769 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1690019952 VQFMWPWMHLUPIM-KRWDZBQOSA-N 403.552 1.127 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccccc2F)CC1 1690146759 VQPSGQZPQQBPHX-SFHVURJKSA-N 411.481 1.935 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1690265967 WTIMQTLBBRUTEV-QWXGXRTQSA-N 414.597 1.884 30 10 HDEE C=C(C)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCNS(C)(=O)=O 1690292561 CMMRPDXVXYTLEP-UHFFFAOYSA-N 402.524 1.843 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCCOC 1690527242 LWABZWHNWZNVBO-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)c(F)c2)C1 1690676815 FJTORPMPDMVZIL-KRWDZBQOSA-N 421.448 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690722290 DETHWGPRYLWKSX-HOCLYGCPSA-N 406.512 1.197 30 10 HDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C1 1691218462 RIFLKRNSQAIYGB-HZPDHXFCSA-N 418.498 1.725 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nnc2n1CCCCC2 1692662474 AZTOTJDCKBJLHO-HNNXBMFYSA-N 411.514 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705495227 MKRKGPAJOTWDGT-PFRQMTDMSA-N 422.551 1.366 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C(C)C 1705579982 AJNOSWJASHFTKD-UHFFFAOYSA-N 410.478 1.241 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)C)n1CCS(=O)(=O)N1CCSCC1 1705589913 XHXQRWDQTMCOBK-UHFFFAOYSA-N 409.581 1.243 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1705608952 KQEXZNWBDGJCFV-UHFFFAOYSA-N 422.938 1.998 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1705639213 IXESUSHNLMFUIC-VQTJNVASSA-N 400.571 1.659 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705728917 CHAUGBVXNWKBHG-WFXMLNOXSA-N 405.543 1.879 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1705843399 DMPLLZFOIYZLCM-AWEZNQCLSA-N 404.496 1.341 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)CC[C@@H]1C 1705901385 JZDWPFGQRPLNRP-KBPBESRZSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1705908091 HOWKFHALUTUBFK-MGPUTAFESA-N 407.515 1.236 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC3(CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1705908192 KPLWCUFTAZVSDF-NRFANRHFSA-N 419.526 1.239 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)no2)C1 1705925268 NCYLXGVUUYLONW-LSDHHAIUSA-N 407.496 1.306 30 10 HDEE CCn1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1710189251 FVHZIDLDEANKKE-FXAWDEMLSA-N 415.498 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCN(C(C)=O)C1 1722284913 QNTIXXRSMNABMB-RDJZCZTQSA-N 409.494 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1722299576 IXNBZMYXNPXLJO-JKSUJKDBSA-N 402.520 1.770 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1ccn(C)n1 1722345367 YCBYSJPXSBFSSV-UHFFFAOYSA-N 412.523 1.398 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1722349306 IPMUDIKKXDENEY-HNNXBMFYSA-N 412.450 1.020 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1722380026 AXOFXWGGZZNUKS-MRXNPFEDSA-N 411.462 1.274 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(OC)C1CC1 1722391129 XVKSKUKMAQURCN-BEFAXECRSA-N 407.540 1.166 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2coc3ccccc23)CC1 1722428817 BBQLXGKGKLHCRN-UHFFFAOYSA-N 406.490 1.966 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C)c2)CC1 1722429901 UPRKZIFHDWCIPQ-UHFFFAOYSA-N 406.534 1.820 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(CCO)Cc1ccccc1 1722453219 PNZHLMKHRNSBPD-UHFFFAOYSA-N 413.547 1.879 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1722603129 OPPXKWLXRLCUHZ-QGZVFWFLSA-N 424.509 1.858 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1722629177 HHXNXIGWKCEGHY-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1722667759 QMEYBRJAWYSASW-CQSZACIVSA-N 420.539 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722688800 LTBIXFBQZFIOLC-RBUKOAKNSA-N 422.533 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1722724001 KLZRYNNKVRDLSE-OAGGEKHMSA-N 409.556 1.355 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NCC)CC1 1722737142 VCYJGIRCNMFTEO-UHFFFAOYSA-N 409.560 1.187 30 10 HDEE CC(C)c1nnc(N2CCN(C3CCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723186290 GQKYDTKQZJEIJJ-CZIZESTLSA-N 413.526 1.602 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)CN(C2CC2)C1=O 1723785300 IERLEPUXRZAGBJ-FPTDNZKUSA-N 421.505 1.528 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1740548968 CODHROBGAGCCGN-RDJZCZTQSA-N 421.567 1.649 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cccn3C)n2CC(=O)N(C)C)c1 1740562473 NQEMKDTXKXHLNG-UHFFFAOYSA-N 419.489 1.428 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1740565574 XFKQUNUFARLMGJ-RBUKOAKNSA-N 414.554 1.475 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740567424 RBIDUJRBQWFDSA-HOTGVXAUSA-N 407.478 1.444 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1740600618 MJCNDQLBLMJHMY-OAHLLOKOSA-N 405.524 1.517 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCCOC 1740609256 MWVWURHFYUIZJH-UHFFFAOYSA-N 423.521 1.230 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1740628176 OGKIZOYTKIECHS-ZWKOTPCHSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1740632400 QUYFYZLSMRMUGJ-NRFANRHFSA-N 417.579 1.440 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCC[C@@H]1NC(=O)NC1=O 1740675687 TVKISFFEVLRHST-OWCLPIDISA-N 416.526 1.644 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1740683838 GNIHAXMRNQEFRX-QGZVFWFLSA-N 424.505 1.571 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2csc([C@H](C)OC)n2)CC1 1740695077 CRGQMNXDGGXEPI-HNNXBMFYSA-N 424.534 1.703 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCC2)CC1 1740695949 HZSTYZMOVIAXCO-FQEVSTJZSA-N 400.571 1.803 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(N)=O)CC1 1740716023 IWQPOTYCUONFSZ-UHFFFAOYSA-N 416.507 1.074 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1740763059 YAPPMHDVPMXQCB-WDYCEAGBSA-N 416.526 1.315 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740823769 NWCKMUVQCWXPQI-ZWKOTPCHSA-N 402.543 1.742 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1740887516 JQBTXFCYQBHGQR-CQSZACIVSA-N 411.553 1.866 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1740959789 DYTRIXRCCALLOI-JKSUJKDBSA-N 418.542 1.215 30 10 HDEE CC(C)NC(=O)CCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741685578 AEKDOZQYORDICX-UHFFFAOYSA-N 410.526 1.909 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)n1 1742679901 XONQIZNFBZGUQB-SPLOXXLWSA-N 410.526 1.747 30 10 HDEE CCOCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCCOC 1747189798 ZVPNMKSAGYDYBY-UHFFFAOYSA-N 415.498 1.915 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1747572091 FIMOXHXRTLVJFN-HOCLYGCPSA-N 413.457 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN1CCN(C(C)=O)CC1 1748684464 JWFDHVVFUHRCSO-LJQANCHMSA-N 424.549 1.788 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1748747419 HQXNQEWITVDDMG-CHWSQXEVSA-N 412.416 1.147 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1748751454 XKZMKFAMOOFLRA-UXHICEINSA-N 400.571 1.802 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCCN1CCCO 1748773780 FXJRZUWTEYUZGK-OAHLLOKOSA-N 421.343 1.952 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749027723 STLDVUBCGAGRND-ZWKOTPCHSA-N 406.515 1.898 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1749038357 QOSBPAIFROFQBC-UHFFFAOYSA-N 412.563 1.968 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1cnccn1 1749116045 ZBCYCUUMWBFISO-SJLPKXTDSA-N 413.526 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H]1CCCO1 1749653184 XOXSCXLYUTZLGE-CYBMUJFWSA-N 423.315 1.953 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1749874491 UERBOZRAZNRJJQ-SFHVURJKSA-N 402.474 1.570 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)F 1750027799 OMSMWUYXTFQVBZ-OCCSQVGLSA-N 402.421 1.741 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C(C)C)C(C)C 1750154450 OAAOOSIHXCHSJG-FHWLQOOXSA-N 420.558 1.850 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760137640 LSELZJLSOJTSIB-KRWDZBQOSA-N 423.583 1.836 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760138017 PKUYEYCJEQEUIZ-MOPGFXCFSA-N 416.570 1.622 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760174410 GDOHRZAOQIBFFJ-FQEVSTJZSA-N 409.534 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ncnn1-c1ccccc1 1760204075 BROXSWDSNVJSBF-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCNC(=O)c1cccc(OC)c1 1760206014 PCGPGXWYEOBNMN-IBGZPJMESA-N 421.501 1.684 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCN(C)CCOC)CC1 1760263395 ZKRVPWFAERDXCB-UHFFFAOYSA-N 402.568 1.264 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCC(=O)NC 1760333954 IUHUGXJLNFAAGV-CRAIPNDOSA-N 401.515 1.622 30 10 HDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1760417839 JGGPZYVFXXCIJS-KZNAEPCWSA-N 408.506 1.901 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](CC)C1 1760526120 DYTBGOBKTAODJK-AWEZNQCLSA-N 402.524 1.808 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760526352 LSLNMVLLPFTGIZ-KBPBESRZSA-N 418.523 1.185 30 10 HDEE CC(C)(C)c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760728849 VLUCMBGKRIQJCV-MSUUIHNZSA-N 402.499 1.311 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)n1 1769604820 CSESNLUDCUBCRP-UHFFFAOYSA-N 423.477 1.940 30 10 HDEE CSC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CCN(C)CC1 1771410822 DOULHLRRNKCZSK-CABCVRRESA-N 405.572 1.795 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](COC)OC 1772522866 SQSFXFXYFSOUGC-WIYYLYMNSA-N 422.493 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)ON3C(=O)c4ccccc4C3=O)nn2)C1 1772787475 JQKOWAACTJYFSX-UHFFFAOYSA-N 413.390 1.438 30 10 HDEE CN(C)C(=O)COc1ccc(C(F)(F)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772790617 RJABGANFRKYNDQ-UHFFFAOYSA-N 418.352 2.000 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 1851066502 LZOUCRDQEXJILE-LJQANCHMSA-N 405.564 1.755 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cn(C)nc3C(F)F)c(C#N)cc2C#N)CC1 1851227532 GUGIHIZSGQBRHT-UHFFFAOYSA-N 400.393 1.500 30 10 HDEE CN1CCN(c2ccc(-c3ccnc(NC(=O)c4cnc(C#N)nc4)n3)cc2)CC1 1852497829 STRVDURLMHTYIU-UHFFFAOYSA-N 400.446 1.809 30 10 HDEE C[C@@H]1CN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853919251 ZTBGPPIRFCEJMR-CRAIPNDOSA-N 418.519 1.045 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cncc(OC(C)C)c2)C1=O 1854167464 HIYUCEMDHUPUKA-QZTJIDSGSA-N 400.479 1.329 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854631689 BAKCCEGOGZIHGW-IFXJQAMLSA-N 409.467 1.646 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855042349 WXUSAIZHRLWRHK-IRXDYDNUSA-N 416.547 1.862 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)CC1 1855063577 HCDBELAAPMUOLN-GOSISDBHSA-N 423.579 1.464 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@H]3Cc4ccccc4O3)CO2)cc1 1855187467 ZDCMJVFONCZZAJ-CRAIPNDOSA-N 400.412 1.410 30 10 HDEE COc1ccc(OCC(=O)N2CCC[C@H](N3CCC(CC#N)CC3)C2=O)c(OC)n1 1856521807 UCMIVLDGUGHXRL-INIZCTEOSA-N 416.478 1.621 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cc(Cl)ccn3)C2)CC1 1857055819 INJLEXLENSPGCB-CYBMUJFWSA-N 410.883 1.289 30 10 HDEE Cc1ccc(OCC(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1 1857136540 JALFUMMVRMQSHZ-LJQANCHMSA-N 406.442 1.531 30 10 HDEE O=C(NCC#CCOc1cccc(C(F)(F)F)c1)C1CN(S(=O)(=O)C2CC2)C1 1890675720 ZSGHNVQBDWKESW-UHFFFAOYSA-N 416.421 1.628 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C[C@H](O)C1 1962847924 DWINWTZSCODQTN-CYBMUJFWSA-N 415.899 1.814 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1COC 1982283653 QAGCSEAKODPOFT-GFCCVEGCSA-N 413.334 1.793 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCOC[C@@H]2C#N)CCN(Cc2ccccc2)C1 1985193640 FSCWGUZDZVNUFC-AVRDEDQJSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261270 NFWBHKPITAGWNF-LAPQFRIASA-N 410.320 1.957 30 10 HDEE CC(C)(C#CC(=O)O)NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1993921635 RZMLFBHSHCYWFV-UHFFFAOYSA-N 417.506 1.996 30 10 HDEE Cn1cc(Br)c(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 2058153680 XSVDERGSODCTQM-AWEZNQCLSA-N 424.324 1.581 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2c[nH]ccc2=NC(=O)C#CBr)CC1 2085342471 YNRQVCZJISUYHK-UHFFFAOYSA-N 409.284 1.855 30 10 HDEE N#Cc1cccc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1 2118161512 CASDHYKQERXXPL-GOSISDBHSA-N 415.471 1.874 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cn1 2118168350 SEMUAKKSJCULAB-ZWKOTPCHSA-N 416.459 1.315 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCOCCC12CN(C(=O)OC(C)(C)C)C2 2174781572 HETYTIPHYKQYMG-OAHLLOKOSA-N 401.529 1.824 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@@H](C(=O)O)C1CC(F)(F)C1)C(F)(F)F 2180574124 GXURJRWMOWCYQX-ANLVUFKYSA-N 400.222 1.601 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CC[C@](C)(NC(=O)C(F)(F)F)C2)C1 2243269570 BFSUFQWIXOVAJD-KQJRHQORSA-N 417.428 1.963 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2243388204 HUVZPWSLWDAGJR-UHFFFAOYSA-N 410.320 1.958 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548169 LJEJYRDNFKYMDZ-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247287892 RUPASPGJXMUHQG-CVEARBPZSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCN2C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247829090 RLWQHRBGNOEMOS-UHFFFAOYSA-N 418.303 1.544 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247915011 UWNRJOHYIGJTGD-OLZOCXBDSA-N 420.319 1.362 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258156843 PLIHOEMRIHPDJZ-CRAIPNDOSA-N 409.464 1.321 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C1CS(=O)(=O)C1 2267548558 GZNPDHIHHIVYSM-UHFFFAOYSA-N 405.734 1.570 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(CNC4)C3)cc2Cl)OC1(C)C 2267708757 PSQWFPHXRHFKHI-UHFFFAOYSA-N 404.750 1.295 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(O)CCSC3)s2)OC1(C)C 2267710810 BGJMLRMQGXGDTF-OAHLLOKOSA-N 405.372 1.194 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCN=S(C)(C)=O)OC1(C)C 2267711430 KYDIUWVAWJODLY-UHFFFAOYSA-N 408.376 1.053 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282030063 ZXBZXWGOEQMRJY-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)[C@@H](CO)C3)sc2Cl)OC1(C)C 2282058607 WOWLKBYOSJROGY-PWSUYJOCSA-N 401.721 1.516 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCNC1 2282325964 MAAUQULZKSIUBV-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](O)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282492955 RBGLCMGJUAFVKZ-ZDUSSCGKSA-N 401.359 1.713 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N=[S@@](C)(=O)N(C)C)c1B1OC(C)(C)C(C)(C)O1 2282503692 DLZIQOSEXKNVLF-RUZDIDTESA-N 422.403 1.927 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@@]3(C)CO)sc2Cl)OC1(C)C 2282624653 NIJMPSJQYKXAES-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3(CO)CCOCC3)sc2Cl)OC1(C)C 2282625639 XZEGTINFUHDWTD-UHFFFAOYSA-N 401.721 1.972 30 10 HDEE CC(C)[C@H](O)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282828585 QWDBOPWBEKTVND-CQSZACIVSA-N 403.375 1.874 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]([C@@H](C)O)C1 2282830959 CIPXEYIMYGIVKN-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC[C@H]1NCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834898 NYAXCIALCCFGCB-VXGBXAGGSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H](O)C(F)(F)F)OC1(C)C 2282853732 ICQAWCJCPHVZMJ-JTQLQIEISA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(CCO)CC3)c2)OC1(C)C 2282856703 WYMJZVMUHHVDID-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@H](C4OCCO4)C3)c2)OC1(C)C 2282858599 ZLUYCCLLVWCTPZ-HNNXBMFYSA-N 423.340 1.759 30 10 HDEE CC1(CNS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)CNC1 2282866256 GPEASLHFAOVJHS-UHFFFAOYSA-N 400.737 1.527 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C2CN(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282866672 NHCZKSJUCVCYGF-UHFFFAOYSA-N 400.375 1.599 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2284398384 XJOXIXKHDJFHOS-GHMZBOCLSA-N 401.315 1.389 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CCC(=O)O)C3CC3)c2)OC1(C)C 2284409146 FVTPDPBGAGZFOQ-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2317413890 UDOGUOISMQRUIP-XLIONFOSSA-N 408.520 1.175 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363530621 XCVXVOXHNPUUCN-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367789367 SMMJCRXJJSAKMY-CABCVRRESA-N 401.525 1.733 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2372803523 HEBBUNCNOTWTKW-KBXCAEBGSA-N 404.529 1.810 30 10 HDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 20292681 IVMFXRIHNBXEPM-DJKKODMXSA-N 413.423 1.472 30 10 HDEE COC(=O)c1cc(C)sc1NC(=O)C[C@H]1S/C(=N\c2ncccn2)NC1=O 72435633 LFNNXHMUXBLAMO-SNVBAGLBSA-N 405.461 1.881 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc(OCC)cc3)C2)c1=O 101764720 KXGSCTDZLZKKBU-INIZCTEOSA-N 412.446 1.915 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c(C)n1 102750949 CLLCIRNLWCRLED-LCPUNJGISA-N 422.485 1.847 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@H]3CCCCN3CCO)C3CC3)nc2)OC1(C)C 204876064 SONKEOQMQPJFOO-GOSISDBHSA-N 402.348 1.591 30 10 HDEE COS(=O)(=O)OC[C@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1 306146773 OCMWAKKCBQCYLK-RISCZKNCSA-N 424.262 1.761 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1)n1cnc(C#N)n1 409460727 VERUWTWMHGCMQZ-GFCCVEGCSA-N 404.377 1.297 30 10 HDEE C=CCN(C(=O)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1nc(C(=O)OCC)cs1 409832553 PGYYTKPLICISGL-YXAMBPQSSA-N 415.471 1.646 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCOC[C@@H]3C)nnc12 432445318 UGESIUKSQXQRDJ-ZFWWWQNUSA-N 413.503 1.864 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1S(=O)(=O)NCC#N 435996693 QORQGMQYPNLAMX-FTRWYGJKSA-N 421.519 1.596 30 10 HDEE C=C[C@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 437642132 UDLRDLGSIWAFFA-GOSISDBHSA-N 411.480 1.657 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3c[nH]nc3C)s2)cc1 444487845 WZNVWIHHJAOZNY-UHFFFAOYSA-N 404.477 1.953 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H](O)C(F)F)nnc12 475223886 LUQHBJDKDACMGJ-GFCCVEGCSA-N 409.418 1.065 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H](O)CCc2ccccc2)CC1 493002774 IHTVTIWCEORXMQ-IBGZPJMESA-N 413.499 1.385 30 10 HDEE COc1cc(F)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 502373616 IEMZEJBGVUTPGI-UHFFFAOYSA-N 406.439 1.620 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(CCOc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506681726 PNLHNZIVJBVIEB-NRFANRHFSA-N 422.533 1.792 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 506892285 FMZMEEWSRRQFQQ-LJQANCHMSA-N 404.518 1.718 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 509423244 FUQVHZAKYVANJW-GFCCVEGCSA-N 402.318 1.445 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)ccc1F 518975478 CFXUCPDGSPICON-SFHVURJKSA-N 403.479 1.919 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)CC1 540553120 LQUOWWHETUFKPZ-WMZOPIPTSA-N 414.403 1.534 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 544849080 KAMXYGWPPZRWMX-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(-n4cncn4)c([N+](=O)[O-])c3)CC2)n1 544863765 YUMFZXBNINOGQA-UHFFFAOYSA-N 404.390 1.405 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c1 564527215 BPMDJJSQZKTBKG-UHFFFAOYSA-N 415.475 1.641 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)[C@H]1C 571485775 UINSEYJMDMTNRZ-RDBSUJKOSA-N 401.558 1.127 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 571533009 XHUDXHUGZBOQOY-CQSZACIVSA-N 410.438 1.771 30 10 HDEE CC[C@]1(c2ccc(F)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 572154993 WUSRZDFFRRUDKK-LJQANCHMSA-N 416.434 1.723 30 10 HDEE CON[N+](=O)CC(=O)N1[C@@H](C)CN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 585088997 XMYIJVAKLXOLMY-KXBFYZLASA-N 419.483 1.452 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc2N(C)C1=O 586313564 KXSRGNNHZWJAPX-RTPGUIODSA-N 405.476 1.122 30 10 HDEE CCc1cc(N2CCC(NC(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)ncn1 586864946 SRPPLSOIKQKLAF-UHFFFAOYSA-N 410.453 1.451 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 604184285 CDMDADMIDUSRSX-UHFFFAOYSA-N 403.914 1.993 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 609146457 DJXPXQNYEZMRKD-WIYYLYMNSA-N 414.550 1.557 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)c(F)c1 609253014 OWRGCYJMBYHEOL-MRXNPFEDSA-N 412.421 1.821 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 610135810 VJYNFLLJTOXNMG-MRXNPFEDSA-N 404.536 1.620 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C(F)(F)F)CC1 611432645 DMCZYMUWQZBLRA-HIFRSBDPSA-N 402.442 1.720 30 10 HDEE C=CCNC(=O)CN1CCN(c2cnn(-c3ccc(Cl)cc3)c(=O)c2Cl)CC1 613388420 ZMYJVMANCMPBHI-UHFFFAOYSA-N 422.316 1.964 30 10 HDEE C=CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 726179688 MQCJCNBBAVALKL-UHFFFAOYSA-N 419.510 1.795 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 730394110 SKCSIDWGTGEQIE-OAHLLOKOSA-N 401.419 1.696 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCOc3ccccc32)cc1 731766723 DAIVKXMNVRXEHS-UHFFFAOYSA-N 413.455 1.710 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(CC(=O)Nc2ccc(F)cc2)CC1 731901919 ORPUCPCVEAMFFK-UHFFFAOYSA-N 417.466 1.105 30 10 HDEE N#Cc1cccnc1NCCOC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 732503017 LQSOJFYXCCQIBL-IBGZPJMESA-N 419.441 1.384 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 733672976 JEVZIFKJMIWBBW-DRMAHVMPSA-N 417.531 1.868 30 10 HDEE Cn1ccnc1C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 745813307 KFEYQOGFMAVUPN-DVSFIDLUSA-N 408.462 1.530 30 10 HDEE COCCn1ncc2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc21 747496755 ROVRFTGEGHMRFH-UHFFFAOYSA-N 407.430 1.818 30 10 HDEE COC(=O)c1cc(NC(=O)[C@H](C)OC(=O)c2cc(C#N)cn2C)cc(C(=O)OC)c1 751725337 VMKQFYIYHYYMCS-NSHDSACASA-N 413.386 1.654 30 10 HDEE COc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C(C)(C)C)CC2)cc1C#N 755762789 WXGFLDYELWUTDI-UHFFFAOYSA-N 408.524 1.959 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 758070848 HSIIWNCOOIEZPF-UHFFFAOYSA-N 406.463 1.202 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758452722 BTMIJKAKQGPTSR-KGLIPLIRSA-N 411.503 1.959 30 10 HDEE Cc1cc([C@H]2CN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CCO2)ccc1F 764410012 YMGQTWLXQPYASK-JLMFCZBYSA-N 402.426 1.743 30 10 HDEE CC(C)CN(C(=O)CON=Cc1cnn(-c2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 764565674 HTOSIRJBYMYOQA-GOSISDBHSA-N 419.507 1.290 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCN(c3ncccc3C#N)CC2)C1 764633846 CMUORJRQJGXBIF-QGZVFWFLSA-N 415.494 1.628 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)OC(C)(C)C 765416931 OSPFEBSWJZZREJ-ZDUSSCGKSA-N 410.496 1.256 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC1(C#N)CCC1 771077132 MIMRFLVRQNCADP-INIZCTEOSA-N 423.491 1.458 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cncc3ccccc23)c1=O 772898226 LKCAXLGFRRKQKX-UHFFFAOYSA-N 404.495 1.672 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCN1C1CC1 774243204 SKVYCQGXDRKJLM-OIJAAMDRSA-N 414.409 1.451 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 779374755 DXIUNITUVAFISF-ZFWWWQNUSA-N 413.902 1.890 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3cnccc23)c1=O 782926493 SFDZVGSXGCTWOI-UHFFFAOYSA-N 402.479 1.119 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CON=C(N)c3ccco3)cc2F)C[C@@H](C)O1 789628046 SXVNQZKIDRCPFH-OKILXGFUSA-N 404.442 1.986 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccnc(C#N)c2)cc1 795971800 UFGFSDJXMOHBLZ-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE C[C@H](C(=O)OCC(=O)c1ccc(I)cc1)n1cnc(C#N)n1 798743758 KSGVBRNDWCXBOK-SECBINFHSA-N 410.171 1.741 30 10 HDEE C#CCN(C(=O)Cc1c(F)ccc(Br)c1F)[C@@H]1CCS(=O)(=O)C1 799934226 QUBXKWMBWHXMBG-SNVBAGLBSA-N 406.248 1.919 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](C)(C(=O)NC)C1 800776114 ZLFQHJINEZVKMY-NRFANRHFSA-N 412.494 1.853 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1F 800783178 PWPJJTQYOZGLIX-QGZVFWFLSA-N 423.514 1.615 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)C[C@@H](O)C(C)(C)C)ccc2c1=O 803566204 RHOMADLJEPAUEV-XJKSGUPXSA-N 405.520 1.759 30 10 HDEE COc1ccccc1O[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 806780763 GBVYEQZZKWJZCL-MVZUJROASA-N 414.462 1.774 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 807270731 XKSIMGBGDCJXKR-GDBMZVCRSA-N 412.533 1.373 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 810382561 QGGZFMCPYUXQLH-KPMWUXBGSA-N 406.361 1.085 30 10 HDEE C#CCCS(=O)(=O)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 810780054 LYSUKUHBVYOYSX-UHFFFAOYSA-N 415.265 1.034 30 10 HDEE C#C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 812754240 ZNYBPLVTSGECQK-LJQANCHMSA-N 402.447 1.951 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F 813499781 BGSCSQKMQKVIJF-LLVKDONJSA-N 404.393 1.710 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(CC(F)F)c1 814186505 GZOWYUSMUXPGBG-NSHDSACASA-N 410.454 1.625 30 10 HDEE COc1ccc(OC)c(NC(=O)CSc2nnc(NN=Cc3ccco3)n2N)c1 1084629516 IUUUNJZMKFWQSL-UHFFFAOYSA-N 417.451 1.779 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3Cc4cccc(C#N)c4C3)C2=O)cc1 1130604174 NNFGPIIGTHJPNI-JOCHJYFZSA-N 404.426 1.876 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CCCN1C(=O)OC(C)(C)C 1130706750 APSGYJKPSHMTBB-OAQYLSRUSA-N 406.527 1.012 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 1132360283 JDMXCXNNKMPZLC-UHFFFAOYSA-N 414.487 1.899 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(COc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1134275932 NVEPIZUCMSCLJY-SGTLLEGYSA-N 421.475 1.872 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@H]2C(=O)Nc3ccccc32)c1 1135891627 FXNOHTGSKGIETF-CQSZACIVSA-N 401.419 1.979 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1141486828 DVFPDPPLTZXYFK-MGPUTAFESA-N 403.483 1.896 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)c2cccc(C#CCO)c2)CC1 1141655227 BUUZIITUKXWWCF-UHFFFAOYSA-N 415.490 1.278 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)s1 1142119503 TZYHFXOJHILWGC-QGZVFWFLSA-N 421.500 1.618 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c1 1147403660 NRVAZZTZPCUILT-VQTJNVASSA-N 413.499 1.903 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CCS(C)(=O)=O)C(C)C)s1 1151144311 INTCPHWPYUDGEH-UHFFFAOYSA-N 408.567 1.037 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(cccc3C(=O)OC)C2)c1 1160831899 OZWBSVDQGZOCNN-UHFFFAOYSA-N 412.467 1.583 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 1163096395 CTYIBCYBYMABFG-MRXNPFEDSA-N 405.501 1.153 30 10 HDEE Cn1c(N2CCC[C@@H](CC(=O)NCc3ccc(F)cc3)C2)c(C#N)c(=O)n(C)c1=O 1163596885 GRYQQBLHINUZNN-HNNXBMFYSA-N 413.453 1.018 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 1168504851 KSZYQFJAUVKTBC-UHFFFAOYSA-N 412.515 1.714 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1168642303 JMCPSNFVHGAFEH-UHFFFAOYSA-N 409.471 1.687 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(N)=O)c2ccc(Cl)cc2)c1 1196002555 GGFYQLUTMNGFRF-INIZCTEOSA-N 407.879 1.761 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1235129104 XUPCUDDMGPGXPW-RDTXWAMCSA-N 405.426 1.828 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2)o1 1278548948 JIDCHFARZGWKRQ-UHFFFAOYSA-N 408.402 1.164 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN(C)S(=O)(=O)CC 1286409030 NRYVPUOTVGJFJX-UHFFFAOYSA-N 414.535 1.393 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559474 WUSGLTHRLZFPLH-CRAIPNDOSA-N 411.572 1.730 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1286638548 FJDMUYYANORPRN-FXAWDEMLSA-N 424.567 1.911 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286701569 YPSUOXRSPYDKMY-QGZVFWFLSA-N 410.526 1.929 30 10 HDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCNC(=O)CC1 1286775097 ZSGCUUMFFNDLHX-UHFFFAOYSA-N 404.515 1.905 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286790960 ZZROZHGFQMQCOB-OAHLLOKOSA-N 402.524 1.195 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]cc2C(=O)NC2CC2)ccc1F 1289708849 DNPJAQCJTXZJCT-UHFFFAOYSA-N 407.427 1.158 30 10 HDEE COc1ccc([C@@H](CNC(=O)CC2(C#N)CCOCC2)N2CCOCC2)cc1OC 1290547737 MXWRYSJNDFNFDF-GOSISDBHSA-N 417.506 1.904 30 10 HDEE Cc1cccc(CN(Cc2cccc(C)n2)C(=O)CCn2cc(C#N)c(O)nc2=O)n1 1294422456 PHZROFKCOZUUJG-UHFFFAOYSA-N 418.457 1.847 30 10 HDEE CO[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1299621912 WDAPWANKNQXXFL-CHWSQXEVSA-N 416.404 1.097 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C 1300219245 BRSPOMONFXKQPE-GUYCJALGSA-N 414.487 1.118 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC(C)C)C(=O)C1 1300403055 IFJCVQNLVYLEAP-UHFFFAOYSA-N 412.494 1.724 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1300495672 JHBSAQJRFAEPDC-IAGOWNOFSA-N 410.540 1.309 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1Cc1ccc(NC(C)=O)nc1 1300663748 DYTBMXZBHJOENI-UHFFFAOYSA-N 405.462 1.828 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)nc2)CC1 1300729024 LOHSYFSGQIQDBF-UHFFFAOYSA-N 421.549 1.706 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CC)nc1C 1300780897 YUBNSJHECHRXNZ-IFXJQAMLSA-N 420.539 1.788 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC 1300788427 ZEPWEUJFYFEZAL-UXHICEINSA-N 424.567 1.746 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2nc(C)nc2C1 1301002945 BDNCLFQWZDROPV-WMZOPIPTSA-N 417.514 1.515 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN2CC)CC1 1301105483 KEIRRHYNSAVABE-NVXWUHKLSA-N 410.588 1.775 30 10 HDEE C=CCn1c(N2CCN(C[C@H]3CCCO3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301474330 ZWLZXVXDVNZCSN-NQIIRXRSSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C)(c2nc(C)no2)CC1 1301518739 JZYPHTKDJWDASC-UHFFFAOYSA-N 403.487 1.366 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CN(Cc2ccncc2)CCO1)C(=O)OC(C)(C)C 1302034455 MDZVXAUMGLSHLM-SFHVURJKSA-N 402.495 1.269 30 10 HDEE N#CCCN1CCN(C(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CC1 1302596652 NEMINTNXQHPMEZ-UHFFFAOYSA-N 419.551 1.476 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1303311567 CGSKCNDZHFMVOJ-JOCHJYFZSA-N 407.522 1.825 30 10 HDEE Cc1nnc(N2CC[C@H](C3CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1304821100 ZPLGDVFFURXMID-NXDJFEHLSA-N 400.483 1.366 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)CC1 1307603776 KBAXWYQMSVYBCB-ZDUSSCGKSA-N 401.891 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)NCC4(C#N)CC4)C3)[C@@H]2C1 1312606277 NDSICUWKJCHTDW-ZNMIVQPWSA-N 419.482 1.514 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1314402407 AAUVYFCHLRSHDM-XLIONFOSSA-N 410.522 1.990 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1)[C@@H]1CCOC1 1314682107 LKBPBORFYXLMKP-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1316485301 FHIGJOVYTYOHTP-HYVNUMGLSA-N 407.540 1.735 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)nc1 1318508680 XNMDZFWUECBAQJ-HNNXBMFYSA-N 415.427 1.206 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)C1 1320085708 JZDVOCBTJCKVCX-HNNXBMFYSA-N 415.494 1.760 30 10 HDEE C#CCC1(C(=O)NC[C@H](C2CC2)N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCOCC1 1336939278 AKPNASBGAFHECL-FZWBFHRNSA-N 400.519 1.583 30 10 HDEE Cc1c(Cl)cccc1N=C1SCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1350490690 MUSVCBUCPKCQAD-LBPRGKRZSA-N 401.897 1.125 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1351633862 BXKRYHPPLPFMBW-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c1 1355307628 JTOMVOSSJXBBBU-UHFFFAOYSA-N 409.442 1.540 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCc1cccc(C(N)=O)c1 1358896573 HMYVWDIEVZATTQ-MRXNPFEDSA-N 405.506 1.939 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1358912244 MPIQJRVZLFFRCP-IAGOWNOFSA-N 409.556 1.841 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCN1CCN(c2ccccc2)CC1 1358937234 NBEBYNISJLLPCC-UHFFFAOYSA-N 423.565 1.698 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358945790 URKNLPPOWLNSPB-MRXNPFEDSA-N 406.498 1.249 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1358963243 FCELJODZEPCEFX-LSDHHAIUSA-N 421.548 1.108 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H](C)N1CCN(CC)CC1 1358991283 UJMYYCSTYNFVCV-HXUWFJFHSA-N 405.550 1.829 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)CC 1359009341 NBVXYBXDTSYRTE-UHFFFAOYSA-N 410.526 1.390 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1359028466 SYQFEUTWDCHISY-ROUUACIJSA-N 414.554 1.473 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC)[C@H](C)C1 1359104162 YTIQRYRMTKDOEO-OPYAIIAOSA-N 416.570 1.912 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1359118338 COCKBXKNICHTJO-NVXWUHKLSA-N 415.519 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](C)C2)nnc1[C@]1(OCC)CCOC1 1359335638 QJVCQNZNYUMEKM-LPHOPBHVSA-N 412.556 1.767 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)CCC2=O)cn1 1435601940 ZKWABZJHARXZHJ-LRYGQEGESA-N 422.489 1.936 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)CC1 1444337953 MBNAPNDGZZWOED-GOSISDBHSA-N 403.548 1.714 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1450390868 NUGRIWHXYNHZTG-CVEARBPZSA-N 406.487 1.521 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(F)(F)CO)CC2)CN(C(=O)OC(C)(C)C)C1 1452564784 MWHASLBLKHTYBP-UHFFFAOYSA-N 403.470 1.571 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1456214614 LDNCWGCIFPZWAU-YWZLYKJASA-N 419.503 1.825 30 10 HDEE Cc1cccc([C@H]2C(=O)NCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c1 1461764828 DUBUPKQHMACOQJ-RXVVDRJESA-N 402.454 1.919 30 10 HDEE COC(=O)[C@@]1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1463479856 MBTZCTLTMIQJEV-ORAYPTAESA-N 405.838 1.260 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1ccc2c(C#N)c[nH]c2c1)C(=O)NCCN1CCOCC1 1464842971 ZNBWCCOFNNQFME-MGPUTAFESA-N 411.506 1.632 30 10 HDEE C#CCN(C(=O)NCCN(C)CCCOC)C1CCN(C(=O)OC(C)(C)C)CC1 1469117364 HWJDMSDYRDXYBS-UHFFFAOYSA-N 410.559 1.999 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2nc3c(s2)COCC3)C1 1469730466 MJAJWROMARRRLU-YPMHNXCESA-N 407.496 1.774 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC/C=C\CNC(=O)OC(C)(C)C)n1 1470373905 VYDZHYZFFKEIDK-FPLPWBNLSA-N 405.499 1.755 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2[nH]ccc(=O)c2c1 1470789483 PEVZGASIQMMDJJ-UHFFFAOYSA-N 410.455 1.986 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC(=O)N1CCCCc2ccccc21 1471480731 JDVKUWIWWXBHBC-UHFFFAOYSA-N 409.494 1.807 30 10 HDEE N#Cc1cccc2c1CN(CC(=O)Nc1cccc(S(=O)(=O)NC3=NCCC3)c1)C2 1473601304 HJOAIRVWZYUHGA-UHFFFAOYSA-N 423.498 1.983 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1476059756 RVYNSAGBHUMKRW-UHFFFAOYSA-N 402.495 1.586 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCc3c(cccc3S(=O)(=O)NC)C2)cc1 1478685275 CHFJPCZCHGATKA-UHFFFAOYSA-N 413.499 1.875 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC(C)(C)C1 1507614201 ZAEHEKUJNAPXBI-UHFFFAOYSA-N 421.505 1.774 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCn1c(O)nc2ccccc21 1507617892 CZYBAEQFCXFZBQ-UHFFFAOYSA-N 404.478 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1COc2ccccc21 1507641496 AGYVOVXPDOOYAH-CVEARBPZSA-N 413.503 1.137 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](C)CN1CCN(CC)CC1 1507665894 WFTIZFGQCGQOCE-HXUWFJFHSA-N 420.565 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(OC)CCOC1 1507668570 IXEGMFSRGLRFBM-JOCHJYFZSA-N 408.458 1.942 30 10 HDEE C=CCN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1)C1CC1 1507995305 HGIAXTAQTGVRLG-QFIPXVFZSA-N 408.506 1.950 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)noc2C)C1 1508132787 ZSUKKZBEGBMSSK-INIZCTEOSA-N 400.483 1.835 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)C1 1514847188 LOWTXAZQYYBXHQ-BZSNNMDCSA-N 406.531 1.463 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCC[C@@H]1C 1516592754 RKVVUSGDEUVUKH-SFHVURJKSA-N 424.553 1.892 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1517143728 DCSQRVIJCCAIGH-GREKMHCPSA-N 414.259 1.858 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1517670799 PLCTWWITRRIFQC-IIBYNOLFSA-N 408.462 1.294 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)C1=O 1520987959 BSTLOGLAYGEEIB-UHFFFAOYSA-N 424.442 1.706 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)C1=O 1530490331 IOPKWDDHAFVIDT-MSOLQXFVSA-N 401.463 1.269 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1530725867 VSVVCNONXINAJV-HZPDHXFCSA-N 423.491 1.540 30 10 HDEE Cn1ncc(I)c1CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 1533073293 LBAGMUYOXUHCKD-ZDUSSCGKSA-N 419.226 1.895 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2)C1=O)C(=O)OCC 1535090923 KGOWWPJNWVAEAA-AUUYWEPGSA-N 407.854 1.644 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1539201902 CPDYTMPCDZISBC-OWSLCNJRSA-N 424.567 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1539462010 ALBZELZCXWKKEN-ZHALLVOQSA-N 414.554 1.231 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1540900031 JBGSEMCRDUKEPM-INIZCTEOSA-N 424.548 1.169 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)CC(=O)N1CCOCC1 1540915908 PEVFWJUJTQMYDB-INIZCTEOSA-N 409.556 1.386 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)cc1 1542161906 VTBJDSIASUVPPP-ULDLJNOVSA-N 406.508 1.730 30 10 HDEE Cn1cnc2ccc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)nc21 1543521092 ROZLAXJIFONCMF-UHFFFAOYSA-N 400.446 1.970 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1552900685 JOABBUSKEQSGOH-MSOLQXFVSA-N 413.503 1.785 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C1 1555700326 NZCDPWLZGCUICV-RTBURBONSA-N 413.478 1.474 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@]1(C#N)CC12CCCC2 1557176769 MYJWPLMQLUOOGQ-GOSISDBHSA-N 406.464 1.806 30 10 HDEE COc1cc(CN(C)C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)sn1 1558565432 KLBJSLPCAHPBMR-HNNXBMFYSA-N 413.459 1.887 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCNC(=O)OC(C)(C)C)OC)cc1 1558825631 WNRANHWRDGACSP-UHFFFAOYSA-N 411.480 1.126 30 10 HDEE N#C[C@@]12CN(CC(=O)NCCc3cccc(Cl)c3Cl)C[C@H]1CS(=O)(=O)C2 1560169090 YTAHYCZQOUNPFI-GUYCJALGSA-N 416.330 1.522 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CSC1 1584179997 BKCSDJKMNLLDDY-UHFFFAOYSA-N 402.516 1.946 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1OC 1585387431 MDYSSMSKDLSVCA-MRXNPFEDSA-N 403.460 1.672 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)COc1ccc(C#N)c(Br)c1 1587248818 IWFMHCSGQIZOOC-QGZVFWFLSA-N 411.252 1.880 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(O)CCN(C(C)C)CC1 1587562245 MZASLKRHHSXYFG-MSOLQXFVSA-N 407.559 1.695 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1588314419 DTTQXSJPJKNRBG-JKSUJKDBSA-N 422.489 1.191 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1593757964 RTWHETDVEVDIMZ-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1594698380 OVMJTULGMODEHK-OAHLLOKOSA-N 407.482 1.554 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2O[C@H](C)C1 1595466967 NVGRNORLSYQUDM-OAHLLOKOSA-N 412.494 1.506 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CCCO)C1 1595715268 UOPSMANCMUGIPS-MSOLQXFVSA-N 413.526 1.363 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c3c(nn2-c2ccc(C)cc2)CCCC3)C1=O 1596716556 YHKCVAWEZWBPHE-UHFFFAOYSA-N 421.457 1.975 30 10 HDEE CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1597023446 XRSUMVZOMXEWAL-MRXNPFEDSA-N 406.508 1.398 30 10 HDEE CC(C)(C)[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1597707668 RXDMUWVUWQAMPG-ZYWUZIHQSA-N 415.519 1.925 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3OC)ccc2C)C1 1603204367 ASJVVHYPMQHUBJ-UHFFFAOYSA-N 400.456 1.625 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OCC)ccc21 1614154591 WUWWFBQCWFGLLR-ZBBYCGENSA-N 421.544 1.976 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1618051871 IZAYKAMBQJKKGE-XIDYXWTMSA-N 418.473 1.840 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(CC(=O)NC)cc2)s1 1625203113 IRPOVENBGANZKT-UHFFFAOYSA-N 407.517 1.682 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCc3nn[nH]c32)cc1 1626004284 OLCAJCQYMBMXAN-TYIKUYDASA-N 402.480 1.676 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 1626205325 FFWULAHXQZPLMW-KRWDZBQOSA-N 400.456 1.970 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1627090828 CSGWVWZDBPAJSQ-UHFFFAOYSA-N 413.499 1.484 30 10 HDEE Cc1c(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)cnn1CCC#N 1633753958 PVFOHMVODBCKPU-UHFFFAOYSA-N 404.496 1.197 30 10 HDEE C#CCOc1ccccc1NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1634340166 QVGZHEVYVTWOMW-HNNXBMFYSA-N 410.492 1.965 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1635439859 ZLWYRLFRQGYFBH-QWVSSGJLSA-N 421.500 1.917 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 1639961610 FZKRXCJXNGLCAB-GOSISDBHSA-N 423.441 1.697 30 10 HDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)COc2cccc(Br)c2C#N)n1 1640229932 LMDGEEWKPNGLGY-SECBINFHSA-N 422.239 1.872 30 10 HDEE CC(=O)CCc1ccc(OCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1640637010 RXIHVWSVQZMITQ-UHFFFAOYSA-N 410.430 1.195 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCN1CCC2(C1)OCCO2 1640987331 CZOAPYBMTSGZEB-INIZCTEOSA-N 410.515 1.529 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CCO1 1641743396 PMGYMTTXQYIDKI-PWYGHMFVSA-N 407.438 1.994 30 10 HDEE O=C(C1CCN(c2cnccn2)CC1)N(O)CCCN1C(=O)c2ccccc2C1=O 1641855907 VSNAGOYTIGBFLK-UHFFFAOYSA-N 409.446 1.597 30 10 HDEE N#Cc1ccnnc1N1CCN(C(=O)c2ccccc2I)CC1 1642116381 ROKHWGCXGKRJTC-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE CCc1nccn1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1644454689 CLOYWRQNXXXCIY-UHFFFAOYSA-N 415.519 1.534 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1644467130 XDEFHZCOPNSXQP-OCCSQVGLSA-N 402.310 1.749 30 10 HDEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc([N+](=O)[O-])c1N 1649431834 KKWMZXMHTPJFIY-UHFFFAOYSA-N 423.401 1.838 30 10 HDEE COc1ccc([C@H](CNS(=O)(=O)CC(C)(C)C#N)N2CCOCC2)cc1OC 1661255133 HRLZXXXLZWKDKL-INIZCTEOSA-N 411.524 1.546 30 10 HDEE C=C(C)CN1CCC(NC(=O)Nc2cc(CNS(C)(=O)=O)ccc2OC)CC1 1661922222 CBBXFGAXOKDTBK-UHFFFAOYSA-N 410.540 1.906 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1[C@H]1CCCO1 1663265225 BZWPPPABFXBJOX-ZIAGYGMSSA-N 401.282 1.889 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 1663438758 GAZYRNOZSUTYGD-LBPRGKRZSA-N 409.265 1.953 30 10 HDEE CN(C[C@@H](O)CN(C)S(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)OC(C)(C)C 1663656940 AUZULENFJJCADG-CQSZACIVSA-N 401.460 1.546 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1664414192 JCLBYVUCJDRVLL-UHFFFAOYSA-N 405.520 1.367 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1670156845 KUVQDQKNVHDCQP-ZDUSSCGKSA-N 404.282 1.217 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@](C)(c2ccccc2)C(F)(F)F)CC1 1673415624 SSBHCEHQVOOMJW-INIZCTEOSA-N 418.441 1.259 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1674845942 HUFABRHCABIERL-YWZLYKJASA-N 419.503 1.722 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 1678326985 IAKILNCFOVHVHH-JOCHJYFZSA-N 406.442 1.753 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C 1680685116 JUUFJTWMLIJKLR-HNNXBMFYSA-N 403.545 1.874 30 10 HDEE CO[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1681857136 FAEPCXWCNUOPRE-ROUUACIJSA-N 418.519 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCCC1(C)C 1689999969 ODZSBWGSXCPLCS-QFIPXVFZSA-N 406.490 1.939 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)CCC)CC1 1690145977 CDUGZYHPXPLDCH-LAUBAEHRSA-N 403.527 1.299 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1cnccn1 1690245255 GFGBVKXRIKVERJ-IEZWGBDMSA-N 411.510 1.679 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)C1 1690697598 YNQNLJHJZAQSQY-OCCSQVGLSA-N 419.436 1.786 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1692571327 ASDYPVFZNMLXSS-SFHVURJKSA-N 406.487 1.715 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCS(=O)(=O)CC2)C1 1692851269 DIEPRLZPGLNUAB-GOSISDBHSA-N 418.523 1.343 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1695867397 ANVPDQQBKVZCTM-IAGOWNOFSA-N 404.563 1.181 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1698495037 CXZNYLFQXYKIMP-KRWDZBQOSA-N 402.499 1.161 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1705527464 YTMTZZQLAHBLAT-MRXNPFEDSA-N 403.464 1.890 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705560451 KSLKURHNLDMHPB-SJORKVTESA-N 407.584 1.687 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCC(OCC(N)=O)CC1 1705658832 BXLCHFPSODJYAK-UHFFFAOYSA-N 414.535 1.486 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705723651 JYWVQAKZVAGXBL-HZPDHXFCSA-N 414.462 1.653 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1705736955 HCMSYPIFDAWOEB-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)CC1 1705769279 NVCNXRGSNPMAKT-MRXNPFEDSA-N 421.567 1.643 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1)C(C)C 1705867702 TYXKSJDWZBSJQC-RBUKOAKNSA-N 401.559 1.841 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1705901613 QLCGDVOBLQZDBG-CQSZACIVSA-N 401.471 1.542 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1705906868 RBWQEWDMYAEDCE-HOTGVXAUSA-N 410.478 1.645 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](NC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C 1705908199 KRMWJTXRFOFQLL-AWEZNQCLSA-N 406.531 1.981 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 1706937675 QKFBYQDUKSLCBX-JKSUJKDBSA-N 407.540 1.879 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCOc2ccccc21)[C@H]1CCS(=O)(=O)C1 1722365924 PYDRZZKJIVGGOA-SJORKVTESA-N 400.504 1.780 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1722397865 OGGDSDVFQQPCFL-GOSISDBHSA-N 414.473 1.321 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(F)(F)C2(OC)CCOCC2)CC1 1722439833 RDCLSFSUIFMQNC-UHFFFAOYSA-N 423.508 1.817 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722464760 QZSJMHSPMFFFTD-LSDHHAIUSA-N 400.570 1.755 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1722627827 OJQXQICKBUQZLT-QGZVFWFLSA-N 414.514 1.330 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1722672082 JSONTQXAPHUFNX-QRWLVFNGSA-N 419.551 1.370 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1722675492 NCXDWQSWDQBWCH-UHFFFAOYSA-N 423.477 1.842 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C(C)(C)C)C1 1722702058 JICNKAPRKBPZPE-QGZVFWFLSA-N 415.542 1.693 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCNC(=O)CC2)cc1 1722706347 RNXQXXRZUACOIE-UHFFFAOYSA-N 405.462 1.675 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H](c2ccco2)C1 1722726926 GZOXOHLAUBWKMO-OAHLLOKOSA-N 414.491 1.923 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOCC1(C)C 1730824448 KBKUZYSLKWXRRO-KRWDZBQOSA-N 420.558 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1snnc1C 1740547260 RERYABIFHPOKRI-GFCCVEGCSA-N 420.502 1.858 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCN(CC)C2)CC1 1740692514 XDMQERGSBWTHSK-FQEVSTJZSA-N 403.534 1.914 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)N(C)C)CC1 1740693224 VBRJENVTZYUGNE-GHTZIAJQSA-N 404.559 1.024 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1740696308 QMVBXLDJNBDCLX-IBGZPJMESA-N 408.506 1.544 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1740717745 ZTNRHPYEAIHFDW-IRXDYDNUSA-N 423.608 1.221 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(O)cc1 1740725625 SPRDWBRKZCXDTI-FOIQADDNSA-N 417.535 1.829 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740808565 PEQIYGBDHJCKJA-UHFFFAOYSA-N 403.874 1.557 30 10 HDEE C=C1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CC(=O)N(C)C)CC1 1740822173 JWSYRPHDJYIXPR-UHFFFAOYSA-N 417.539 1.483 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)[C@H]1CC[C@@H](C)C1 1740950985 ORNQLLRWSRZVGX-SJORKVTESA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)CC1COC(C)(C)OC1 1740954381 KVETVTDBTRPRLX-UHFFFAOYSA-N 403.483 1.984 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(S(C)(=O)=O)CC2)cs1 1742558261 BCFXGSQMGUPWKA-GFCCVEGCSA-N 408.553 1.807 30 10 HDEE Cc1nnc(N2C[C@@H](O)CC3(CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1742777179 DSLSJTARCYXBJM-DVEDPGPFSA-N 400.483 1.244 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1743356319 UJBAPXRVTHNYKB-HNNXBMFYSA-N 406.446 1.951 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C[C@H](C)O1 1744988007 BKIZJJHRIGCDDJ-WMLDXEAASA-N 418.523 1.370 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1746963408 OBIKIDKWOHWZCB-XFFDBYKISA-N 421.542 1.987 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@@H](C)C1 1748745028 KVSDIPFRDRLHSG-HNNXBMFYSA-N 419.489 1.272 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1748990521 HYQXORKWCZWMSW-GCJKJVERSA-N 401.555 1.869 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC(=O)N2)C1 1749696666 VRLBRBLCKWUURQ-WBVHZDCISA-N 412.450 1.913 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1750528362 CHDPKRYYMILEAD-KKSFZXQISA-N 412.469 1.947 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2ncn(C)n2)CCOC1 1751014628 YOECSSXQLHHCFH-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE C#CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760133543 HOXLOBBZTFOHRS-UHFFFAOYSA-N 424.549 1.967 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760143773 RCQQOTVWTMDNNO-DYESRHJHSA-N 401.511 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1760200964 DPSZLLINHATDQI-UHFFFAOYSA-N 420.498 1.369 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1760252835 XDVGLUNLJZESCU-LJQANCHMSA-N 415.586 1.292 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(C)C)CC1 1760260024 UPVAVVDCSGMACR-KRWDZBQOSA-N 407.584 1.618 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCN(CC)CC1 1760489056 BPKLGXXUSIAQKV-IBGZPJMESA-N 415.586 1.719 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1760511119 JCXQVCYQWKLNQI-LJQANCHMSA-N 423.565 1.973 30 10 HDEE C[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1761394275 VHGHLMFOFCSAQL-DNVCBOLYSA-N 424.509 1.980 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1Cc1ccc(C#N)o1 1761878381 QTXLTDUTTZYDBX-AWEZNQCLSA-N 408.466 1.891 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1)OC 1769237510 GTXSINYXLRTJRQ-MOPGFXCFSA-N 422.493 1.911 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1770315748 AUXRJMVZGCXARA-KRWDZBQOSA-N 403.508 1.603 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1(C)C 1770658371 OYZPKJRJRZXTAR-AEFFLSMTSA-N 424.505 1.869 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1771204509 VDLOGSIHYYPCID-HOCLYGCPSA-N 416.482 1.620 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)CC2)CC1 1849688903 CLUIRMPTLCRFOD-LJQANCHMSA-N 412.490 1.864 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)NCC#CCN2CCOCC2)cc1 1850333738 FVKQTDDQYRGEGK-UHFFFAOYSA-N 407.536 1.173 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)COCc3ccccc3)C(=O)C2)cc1 1854038718 XJPMCSWWBJVIFC-UHFFFAOYSA-N 413.455 1.135 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2noc3c2CCCC3)C1=O 1854101721 XVJXPZABZKOBBM-IAGOWNOFSA-N 414.506 1.793 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C[C@@H]4CCCCO4)C(=O)C3)C2)cc1 1854166940 BDMHJQIGXJYTNI-RTWAWAEBSA-N 410.518 1.763 30 10 HDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c(C)c1C 1854419258 YRVUDCKZINFLJR-UHFFFAOYSA-N 418.519 1.848 30 10 HDEE Cc1cc(N(C)C)nc2c1N([C@@H]1CCN(C(=O)c3ccnc(C#N)c3)C1=O)CCC2 1855411584 IIXQEZBSERJRIF-GOSISDBHSA-N 404.474 1.917 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)C2CN(c3ncc(F)cn3)C2)C1=O 1855424941 VPSZWFUEBKQFPX-CQSZACIVSA-N 408.437 1.981 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@H](N2CCN(c3ccc(OCC)nn3)CC2)C1=O 1855752732 FKRIQFPANJAASU-IRXDYDNUSA-N 401.511 1.727 30 10 HDEE Cc1cc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)ccc1Cl 1856047549 OLACNBRBCZEFQW-UHFFFAOYSA-N 411.911 1.884 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1856835889 ATBCHAGZWUJVIJ-MSOLQXFVSA-N 401.507 1.784 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1857024583 ULMLMOXYEVCHQO-IRXDYDNUSA-N 410.478 1.457 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@@H](F)CC2CCC2)C1=O 1857151844 RJFYUDAAHQGDIH-DOTOQJQBSA-N 400.458 1.124 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)Cn3cnc4ncccc4c3=O)C2)CC1 1857250232 IDUZZGKTBHLRMJ-QGZVFWFLSA-N 409.490 1.455 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(=O)cc1C(=O)O 1857890244 NKYGZRWAWOASLH-UHFFFAOYSA-N 400.387 1.927 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)Cc2ccccc2)C1 1858324679 NCHBQKGWRDKDNV-KRWDZBQOSA-N 405.501 1.441 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCOCCO 1870444587 PUAHRDDITGYWKD-UHFFFAOYSA-N 422.522 1.752 30 10 HDEE COCCCNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649803 OWFTUQUBJJZCFV-UHFFFAOYSA-N 419.463 1.204 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(=O)n(C)c(=O)n(C)c21 1873599408 UPIZWDGNVSPHQJ-UHFFFAOYSA-N 412.446 1.172 30 10 HDEE N#Cc1ccc(CC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 1889314382 MGHQYIZLGAVEAW-UHFFFAOYSA-N 407.478 1.039 30 10 HDEE C=C(CNC(=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991971953 YMTYEOIKSLDLMU-OAHLLOKOSA-N 409.336 1.889 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2010403786 JRRRMZVIEWVSIQ-QLPKVWCKSA-N 421.347 1.746 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)c2cncc(C#N)c2)CC1 2174779449 JLIXGZTTZQVKLT-UHFFFAOYSA-N 414.509 1.797 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N=[S@@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2174786339 IXDHWQNIPGPCCL-RMKBEBRYSA-N 422.573 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CC1 2195307500 VUONUCVURREHGY-JTQLQIEISA-N 404.485 1.366 30 10 HDEE Cc1csc(CNC(=O)N[C@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2203126172 MRGSXVOGGDMGJC-NSHDSACASA-N 402.347 1.546 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(CCC(N)=O)Cc3ccccc3)ns2)OC1(C)C 2243418611 HNMOVYDPAIOMQS-UHFFFAOYSA-N 415.324 1.960 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2258176797 GPOVKFFFZMNQQV-QGZVFWFLSA-N 402.428 1.789 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)C1 2264025720 XTHYBEFMYQFHHH-QZTJIDSGSA-N 406.508 1.858 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCOCCF)cc2Cl)OC1(C)C 2267357745 WDFLJHKWIPKNBZ-UHFFFAOYSA-N 413.729 1.965 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C#N)NC(=O)OCc1ccccc1 2270527913 NALHZRNBRXLDLH-ZACQAIPSSA-N 423.491 1.456 30 10 HDEE CCCSC[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282330411 ZGIUDPMZWYXXHJ-GFCCVEGCSA-N 403.379 1.529 30 10 HDEE CNC[C@@H](C)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282497661 SZKQDIYQUZMTSZ-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497672 TUHQQWKVSHVXNJ-LLVKDONJSA-N 402.347 1.240 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CCNC2)c1B1OC(C)(C)C(C)(C)O1 2282504380 NYSCEEOJXHWCLA-CYBMUJFWSA-N 400.375 1.552 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCCCCO)OC1(C)C 2282504739 SXJPBBKUVSIBNM-UHFFFAOYSA-N 404.363 1.414 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1O 2282508653 ZHHPEYGBJWZQFG-SGMGOOAPSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@H](N)CC2)OC1(C)C 2282838007 ZAUNIHLGQXCOEV-HAQNSBGRSA-N 401.363 1.132 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N(C)C 2282877369 QKNDETJEVQMQNW-TZMCWYRMSA-N 400.375 1.618 30 10 HDEE CC(C)(C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284396119 SRKXBXKEFUZFDQ-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CS(=O)(=O)C1CC(COc2c(N)cc(C#N)cc2I)C1 2285339151 NERUYEIKOBUCLO-UHFFFAOYSA-N 406.245 1.947 30 10 HDEE C=CCSc1nnc(CNC(C)=O)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2330772943 SRFKRWKTIDUOFB-UHFFFAOYSA-N 418.435 1.754 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(C(=O)O)cc1 2330794972 HDXUWBQTLGFGHA-UHFFFAOYSA-N 419.463 1.540 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2338485010 CMVSPRIEEDFNHI-GSVIPDFHSA-N 402.491 1.593 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342066083 HTJZUUCZSMPZTI-NQIIRXRSSA-N 420.531 1.319 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362565023 YUWHQFXKAUXUPG-NSHDSACASA-N 402.347 1.338 30 10 HDEE Cc1csc(C#C[C@H](OCCN)c2nn(C)cc2I)n1 2363689862 XKYFAKFDFSHKRK-NSHDSACASA-N 402.261 1.858 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365175590 IPXCKNSUSUOEMV-JJXSEGSLSA-N 401.525 1.588 30 10 HDEE COc1[nH]c(=NCc2cn(C)nc2Br)ccc1B1OC(C)(C)C(C)(C)O1 2365348352 PEMKPFIFNQJIIM-UHFFFAOYSA-N 423.120 1.919 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 2367808817 HCHQLRNFAAXBHP-YJBOKZPZSA-N 402.557 1.553 30 10 HDEE CN(CCC[C@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C(=O)OC(C)(C)C 2367812312 RPMDFDJXHBLWAS-YJBOKZPZSA-N 402.557 1.683 30 10 HDEE CO[C@H](C#C[C@@H](O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379867642 XGWLHCLYLPBSSJ-HZPDHXFCSA-N 401.525 1.590 30 10 HDEE CNC(=O)CN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cccc(C#N)c1 31449206 HKVKYHBRGNDLCR-UHFFFAOYSA-N 404.430 1.055 30 10 HDEE CN(CC/C(N)=N/O)S(=O)(=O)c1cc(Br)ccc1Br 40376274 OQVDBLDUWNTHLY-UHFFFAOYSA-N 415.107 1.969 30 10 HDEE N#Cc1ccccc1NC(=O)C(=O)NCC1CCN(C(=O)COc2ccccc2)CC1 43941716 QSBQUCJBVIVCTC-UHFFFAOYSA-N 420.469 1.931 30 10 HDEE COc1ccccc1NC(=O)CN1C(=O)/C(=N\NC(N)=S)c2cc(Cl)ccc21 72414994 AJWNQOSSKAXTAG-JWGURIENSA-N 417.878 1.871 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 111224620 FYHKWKBZMHQHGY-CTNGQTDRSA-N 423.517 1.154 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC[C@@]2(C1)NC(=O)NC2=O 434788556 WZJMREHYESYCEP-YJYMSZOUSA-N 401.492 1.551 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1C[C@@H]1CCCO1 440390149 ZFCAJSBPWMOBLD-AWEZNQCLSA-N 401.488 1.020 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@@H]1CSCN1C(=O)C1CCCC1 461304175 YGCWZMLJUSQJHC-INIZCTEOSA-N 410.503 2.478 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)CNC(=O)Cc2ccc(O)cc2)n1 462767458 WHWNZYFNLOLYBF-UHFFFAOYSA-N 409.833 2.400 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 480438320 BFBDUHCMBIZTNG-CHWSQXEVSA-N 401.444 1.831 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)cc1OC 489646055 NTDBCIBBXXHSEA-KRWDZBQOSA-N 405.432 1.472 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)CC1 512581082 FDYRNRLYSRDILB-UHFFFAOYSA-N 409.490 1.118 30 10 HDEE CN1C(=O)C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@H]1c1ccc(Cl)cc1 514814769 XDOQIBJCWJMAMI-QFBILLFUSA-N 418.906 1.942 30 10 HDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cscn3)c2=O)CC1 523305784 FQHGXLZCVZDOBW-UHFFFAOYSA-N 414.556 1.505 30 10 HDEE C=CCN(Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1)[C@H]1CCS(=O)(=O)C1 535625298 BVHLJFDBWJRGDG-INIZCTEOSA-N 410.517 1.920 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543890847 JQWDGRRCTNASRA-CQSZACIVSA-N 422.898 1.943 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H](c3ccccc3F)N3CCOCC3)CC2)n1 546170046 ZQWRZIHVYPAENT-OAQYLSRUSA-N 409.465 1.814 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 559028932 GHVPQKVWJRCQOO-GJZGRUSLSA-N 418.502 1.110 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCCO2)CC1 559124586 WTAIEYPUYVUKFI-ICSRJNTNSA-N 424.505 1.743 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccnc2SCc2ccc(C(N)=O)cc2)CC1 564047485 NDYVLKNIHPHIAZ-UHFFFAOYSA-N 423.498 1.671 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 571212486 OHMVYUPWZWMPHW-KRWDZBQOSA-N 413.455 1.929 30 10 HDEE CN(C)c1nc(CNS(=O)(=O)c2ccc(C#N)cc2)nc(N2CCCCC2)n1 585296218 NFJWURQLOVDSJS-UHFFFAOYSA-N 401.496 1.278 30 10 HDEE CCOC(=O)c1c(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)sc(C)c1C 586296751 ILASMFBGSHYLHY-MHZLTWQESA-N 413.521 1.601 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 589455550 XDINPXJHRCHQOL-SFHVURJKSA-N 401.444 1.142 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)CC1 603657949 SDSWIZOQHOXPAS-UHFFFAOYSA-N 418.457 1.956 30 10 HDEE N#Cc1ccc(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 609240134 NHLITGNUTHPFSA-UHFFFAOYSA-N 409.421 1.269 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cc(C3CC3)nn2-c2ncccn2)c(F)c1 613510290 QZAUJQFNOSXYIA-UHFFFAOYSA-N 405.393 1.805 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(N3C(=O)CCCC3=O)c2)c(F)c1 619392361 MLVFWGYNQZQSMV-UHFFFAOYSA-N 408.389 1.996 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(CCC#N)c1ccc(F)cc1 619435674 BXIZXUCBRSFPKK-IBGZPJMESA-N 402.426 1.688 30 10 HDEE CS(=O)(=O)N1CCC(CS(=O)(=O)NCc2ccc(C#N)c(Cl)c2)CC1 619753042 JIVOTAOMWBJIJP-UHFFFAOYSA-N 405.929 1.303 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1C 727415376 MZNJAVZPZOZMTD-UHFFFAOYSA-N 423.494 1.375 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2CCC2)cn1 730144166 HRIQTBQUNUATHA-MRXNPFEDSA-N 419.551 1.890 30 10 HDEE C#CCN(Cc1nnnn1-c1ccccc1Br)[C@@H]1CCS(=O)(=O)C1 731213048 SOJBHHRSBSPZHR-GFCCVEGCSA-N 410.297 1.047 30 10 HDEE COC(=O)CCOc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 732429245 GEDZVHFYBBYWOM-ZCXUNETKSA-N 402.407 1.276 30 10 HDEE CSc1cc2c(cc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)OCCO2 732430180 FHNFOKKBVOSUJQ-WUKNDPDISA-N 404.448 1.828 30 10 HDEE C[C@@H](Sc1ncccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1)C(=O)N1CCCC1 732649325 FSCRMDFQJQOBCN-NVXWUHKLSA-N 413.547 1.997 30 10 HDEE Cn1cnnc1Sc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1[N+](=O)[O-] 732650091 FLFQMQVZKZAIDI-CQSZACIVSA-N 413.463 1.687 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732675345 SUWIEMDYIWWIJL-HXUWFJFHSA-N 412.538 1.199 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732675384 UBBCWXPXWWKSHH-LJQANCHMSA-N 419.551 1.396 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C)cc1 734963658 LZDGAIDWKDRACX-MJGOQNOKSA-N 413.455 1.591 30 10 HDEE C[C@H](CC(=O)N1CCC2(CCOCC2)[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 756833235 LXUUAKNGTWFZSR-HUUCEWRRSA-N 405.520 1.921 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n2)CC1 756919384 CZRMEOBBYJJEDK-RDJZCZTQSA-N 414.510 1.322 30 10 HDEE COc1cccc(C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1F 761564463 NDLPQOCASDXTJH-UHFFFAOYSA-N 402.382 1.508 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)C1=O 761725382 BEKBTQKCMKXXOD-FVJLSDCUSA-N 411.462 1.362 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 772739100 BHXXTMPWEPPOGH-YQTDRKPDSA-N 406.483 1.807 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)cc1 780933966 DQVBCUNUXCKKPT-HXUWFJFHSA-N 410.449 1.305 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCc1nc(Cc2cccc(F)c2)no1 783805754 IEGSIMCQFSUEIW-HNENSFHCSA-N 400.366 1.759 30 10 HDEE N#CCSc1ccccc1C(=O)OCCN1CCN(S(=O)(=O)C2CC2)CC1 797265954 GZVRKDGGRGPHSV-UHFFFAOYSA-N 409.533 1.569 30 10 HDEE CCc1c(C(=O)OCCCC2(C#N)CCOCC2)cnc2c1c(=O)n(C)c(=O)n2C 800188630 MOPFRAHMHPCZCH-UHFFFAOYSA-N 414.462 1.452 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)c(F)c2)N(Cc2cnn(C)n2)C1=O 807941479 OMYZYFARRNDIMI-CQSZACIVSA-N 406.443 1.231 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 811135868 MORSMLDHRQJEDU-ZDUSSCGKSA-N 411.455 1.169 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C[C@@H](O)COc3ccc(CC#N)cc3)C2)n1 856670443 IQODLUQOHNRDOG-DYESRHJHSA-N 400.479 1.507 30 10 HDEE CN(C)c1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 1084190977 FCEKGKQRKUQIAL-UHFFFAOYSA-N 417.524 1.691 30 10 HDEE COc1ccc(CC(=O)N(C2CC2)[C@@H](C)C#N)cc1S(=O)(=O)N1CCOCC1 1130671339 GVRTZIWQSLCDBY-AWEZNQCLSA-N 407.492 1.162 30 10 HDEE N#C[C@@]12CN(C(=O)c3nc(C(F)(F)F)n4c3CCCC4)C[C@H]1CS(=O)(=O)C2 1134277652 CHEICKOQYFXDRI-BONVTDFDSA-N 402.398 1.249 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)cc1 1135333132 RCYUOOFLUDPJFM-UHFFFAOYSA-N 404.430 1.096 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CC(O)(CC#N)C3)ccn2)CC1 1138322699 RPFFHZOKUKRPBH-UHFFFAOYSA-N 401.467 1.239 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cccc(N(C)C(=O)OC(C)(C)C)c2)CC1 1140132982 SBTOUCYJHRAFGP-UHFFFAOYSA-N 414.506 1.565 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1ccc2c(C#N)c[nH]c2c1 1141479644 RGYGKYRNCBGXOD-UHFFFAOYSA-N 411.487 1.895 30 10 HDEE C/C(=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)CN1CCOCC1 1141804206 VENOIBKPPXQLLU-HCZAEJGBSA-N 420.535 1.716 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1ccc(C#N)cc1)Cc1cccc(F)c1 1141911548 QLRWQMLEIXQKOI-OAHLLOKOSA-N 421.436 1.418 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCOC2(CC(C(=O)OC)C2)C1 1154754602 ZSFKOXSRLSWMPI-WZHMAMEKSA-N 408.495 1.910 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)s1 1162248075 FFTBEWKUIWCFIM-MAZHCROVSA-N 409.533 1.346 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1[N+](=O)[O-] 1168706067 CIQUPSIQIQRGCT-UHFFFAOYSA-N 423.429 1.554 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 1177346642 OQKOKMDSVCDIJX-OCCSQVGLSA-N 405.398 1.453 30 10 HDEE CCc1ccc(C#CC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1180000666 OCVHXWPJAJXVFP-SFHVURJKSA-N 411.502 1.937 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1190678265 BNRSBQIREZTZJK-HNNXBMFYSA-N 424.276 1.778 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1 1209518255 GVFAXZHODHUPRA-MJGOQNOKSA-N 403.548 1.669 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1211970576 FGMBYPRAOYNPQN-ZWKOTPCHSA-N 407.492 1.754 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@H]3C[C@H]3CCOC3)C2=O)cc1 1234023150 FGJKDDFLBINUNP-RLLQIKCJSA-N 412.490 1.891 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCc2cc(F)c(F)c(F)c21 1272814179 PJPBPWVLODQVAU-GFCCVEGCSA-N 409.389 1.946 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1286291841 YQPRNNJJDMGZLB-AWEZNQCLSA-N 407.478 1.128 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286389701 OUPGWIRSHYRDMI-JKSUJKDBSA-N 419.551 1.436 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1286447210 KKHGJZOXUCCDFU-INIZCTEOSA-N 412.519 1.530 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCOC1 1286458978 GCDJBDMCUZAKDU-JOCHJYFZSA-N 422.489 1.573 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1286607376 GRBGFMHAYWEOTQ-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCS(C)(=O)=O)C1 1286805556 UZWNFOLWMFAMBO-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286818427 IMJCKECSOPGJCB-KRWDZBQOSA-N 418.523 1.046 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C1CCN(C)CC1 1289195289 IDTHZHNITZLUFB-JOCHJYFZSA-N 412.490 1.018 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)n1 1290646100 FQPHGFHTAORXOI-GJZGRUSLSA-N 407.425 1.293 30 10 HDEE CC(C)(O)CN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1292514251 BVVAUPNWEZUZPF-UHFFFAOYSA-N 421.339 1.672 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1295087132 CGPUKQLXTNQXFV-LJQANCHMSA-N 423.521 1.806 30 10 HDEE CCN(CCC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1295796940 DADPSICBELKFQD-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE CCOCCC1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1297437444 YRVYEHBBERBSLK-HOTGVXAUSA-N 402.499 1.555 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1300338249 BMORSCPQGLKJNA-MRXNPFEDSA-N 409.494 1.821 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C#N)C1 1301054738 VLDFADVISNYCLU-ZFWWWQNUSA-N 405.430 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1301490880 HKVFXBHQYLFSOF-MRXNPFEDSA-N 406.494 1.445 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1301970013 BDSPJAXFBYAPGE-CHWSQXEVSA-N 401.496 1.144 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1302452785 BFAHIMJUVIREMR-UHFFFAOYSA-N 421.509 1.707 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1302831517 CPNFFTSMBXTQCA-VLIAUNLRSA-N 412.483 1.753 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCOC3)n1CCCCCCO)C2 1302989636 NJXMUGRXHAYTRP-HNNXBMFYSA-N 412.494 1.870 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1303174780 WQIXIEOKZFGERT-CYBMUJFWSA-N 404.471 1.626 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1303361104 WOXDNZUXPQDCRP-GGNAOWBESA-N 415.498 1.177 30 10 HDEE CNC(=O)c1ccc(NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 1311017659 DLHBQLYCZMXSEB-CYBMUJFWSA-N 409.450 1.459 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C2=O)cc1 1312485538 LKAXURPHDCSNGS-HJFSHJIFSA-N 416.425 1.664 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 1313099977 CNFDPVNFFLTIHR-DOTOQJQBSA-N 400.414 1.751 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cn1 1313241054 FJOHQFFTNMGMFF-DODVFSASSA-N 403.508 1.141 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](CNC(=O)N1CCO[C@H](C#N)C1)OC2=O 1313317325 KMOVHFWRINKUIT-HUUCEWRRSA-N 422.482 1.253 30 10 HDEE CCN(CCC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1313796203 FKHICSDKVFTLFN-CZIZESTLSA-N 422.493 1.888 30 10 HDEE CCOCc1nnc(N(C)Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1314308232 CKYZIVQARZURCF-HNENSFHCSA-N 411.466 1.372 30 10 HDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C(C)[C@H]1COCCO1 1319199727 HFNNZAMIZIQLKG-OAHLLOKOSA-N 400.457 1.829 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3ccc(CC#N)cc3)CC2)CC1 1322268161 XTTNAHQGHVONKB-UHFFFAOYSA-N 404.536 1.317 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)CC1 1350024129 URIGFESNDDSROX-ZWKOTPCHSA-N 401.511 1.539 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1355063815 BWZLQABGJHONIS-DGCLKSJQSA-N 409.227 1.735 30 10 HDEE C=CCc1cc(CNC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)cc(OC)c1OC 1356305542 VJWJMQVMQTYLKW-MRXNPFEDSA-N 404.463 1.460 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1358894631 SUDSTBMTTMSBAQ-OAHLLOKOSA-N 414.535 1.747 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(N(C)C)CCC2)CC1 1359040513 XXQMUEGSLAVICV-OALUTQOASA-N 416.570 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCC=CO2)CC1 1359042965 AWAHYOGWACFXKZ-GOSISDBHSA-N 406.490 1.999 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)OCC)CC1 1359058565 IGDWFIVRQHHESS-UHFFFAOYSA-N 414.535 1.909 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359134567 ZZAKXEJARCVFHI-INIZCTEOSA-N 416.530 1.601 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359297362 NWUOGPAZQSLVNH-VGSWGCGISA-N 411.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@](C)(C(N)=O)C1 1359297835 DGJOPXPDHGBQPQ-QFIPXVFZSA-N 421.505 1.441 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(CC(N)=O)CC1 1359299187 XVYRGMPWSZQJLR-UHFFFAOYSA-N 421.505 1.820 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCO[C@H]2C)C1 1359327300 YCMOOPAXTVKKIW-HUTLKBDOSA-N 422.526 1.323 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc2c1OCO2 1360206657 CXRSDEGDOYYBGB-IBGZPJMESA-N 400.414 1.635 30 10 HDEE Cc1cccc(O[C@@H](C)c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)c1C 1360879123 GRZHLDRPXRTRPK-DLBZAZTESA-N 422.493 1.941 30 10 HDEE C[C@](CO)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(O)cc1 1452426070 DADIDJFFPSOVRJ-LJQANCHMSA-N 403.460 1.222 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)s1 1453280094 HCHYLLGZOLPZSG-IJEWVQPXSA-N 416.565 1.437 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccnc(Br)c1 1454388741 GIHZDULFDOWUJB-UHFFFAOYSA-N 409.265 1.199 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 1463990716 BEFCMLQGKZNCGX-ZVZYQTTQSA-N 424.519 1.628 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Br)CC1 1465179137 RMMICPGNKDNXOB-UHFFFAOYSA-N 401.286 1.066 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc2c(c1)OC(F)(F)O2)c1cc[nH]n1 1469541886 LGEFHDZSRBKGOY-UHFFFAOYSA-N 424.360 1.674 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 1471833240 SWCOWYJKYBWISD-GOSISDBHSA-N 413.478 1.091 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1472225660 XKOSBURWKYDAQS-UHFFFAOYSA-N 404.517 1.764 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C1CCOCC1 1475515806 ZNUYWDFBYNJKPS-LJQANCHMSA-N 418.519 1.798 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCC(=O)OC 1475678478 OFPAESQOZBYRQJ-UHFFFAOYSA-N 402.513 1.604 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)Nc3ccc(C(=O)NCCC(N)=O)cc3)C2)cc1 1476677782 BEDQLNQCZXQRAI-UHFFFAOYSA-N 407.430 1.459 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H](C)O1 1499781140 DJVCFXYDWZQVNV-MAUKXSAKSA-N 422.493 1.909 30 10 HDEE CCS(=O)(=O)CCn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1503260419 QMNCAPXSWSDHDN-QAPCUYQASA-N 413.544 1.492 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1503727626 OTZAUMFYHLHSRP-FGZHOGPDSA-N 421.505 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507535771 YWBBQGHGRUYUQB-NEPJUHHUSA-N 407.400 1.739 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1507589564 XVFNQNBRXHOYSZ-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1507592481 UMWUEPNBUNTQFW-HUUCEWRRSA-N 413.482 1.727 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1507594702 IDZQGJHVQGGWRU-UYAOXDASSA-N 416.570 1.607 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507631896 GYJJZIIKHDNRDL-GJZGRUSLSA-N 421.548 1.222 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC[S@](=O)CC)CC1 1507721594 WPBHWGPMONVHKR-GDLZYMKVSA-N 416.507 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(COC)CCOCC2)CC1 1507742837 RSFAAOOKAAIVPH-UHFFFAOYSA-N 403.527 1.250 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507829632 GQSUJCQXUAYYHA-INIZCTEOSA-N 408.462 1.538 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)C1 1507958746 CCWSMCUBORTFLK-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1507970595 KUMZRBYCQZPOAI-QGZVFWFLSA-N 409.332 1.735 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1508039821 QYSABIZZPPIVCT-SJORKVTESA-N 411.572 1.303 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC=C)Cc1ccccc1F 1508085353 GKRGTJNRGNEBSR-QGZVFWFLSA-N 412.469 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1508121079 CRVGCZWQXZZEBD-QZTJIDSGSA-N 419.526 1.550 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N1CCCCC1 1511888425 UBBZNCVRDLKKJS-UHFFFAOYSA-N 408.510 1.582 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC(=O)N1C 1512421350 RQQMOFVDNFRWBE-PBHICJAKSA-N 421.505 1.398 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C)cc1OCCOC 1516608747 IXWIAVXXYONYEJ-GOSISDBHSA-N 415.494 1.925 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1517561580 CQROHEAFZNDSGH-QVKFZJNVSA-N 412.494 1.319 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)cn1 1518270416 GPAUJEMHRKGLMC-GOSISDBHSA-N 417.473 1.970 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1519394818 QOWHFNPCBRXLJN-JOCHJYFZSA-N 424.505 1.586 30 10 HDEE CCc1ccc([C@@H](C#N)N(C)C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)cc1 1524110517 BFVOSAXYXGQHAU-QGZVFWFLSA-N 405.458 1.840 30 10 HDEE Cc1cc(C#N)cc(NC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)n1 1526860167 GOPXKOFLGBRVGQ-UHFFFAOYSA-N 402.212 1.106 30 10 HDEE C#CCN(C(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-])C(C)C 1535820405 SRNRFZRDIOVSCS-UHFFFAOYSA-N 411.480 1.874 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CCO[C@](C)(C#N)C2)c1I 1538537569 DNDUNTLZGOPSAA-CQSZACIVSA-N 402.236 1.997 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCN2CCOCC2(C)C)CC1 1539444891 XKHBCWZUVVYTDQ-UHFFFAOYSA-N 411.554 1.150 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@H]1C 1539533831 VPKIQFWQANVXGF-PMPSAXMXSA-N 407.540 1.035 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1OC 1539668816 GPKGAESMURQVHY-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539918996 UYZQHZBGBJBGRQ-ARFHVFGLSA-N 400.527 1.889 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539966800 MVYXIBVWHXJEDD-GOSISDBHSA-N 418.542 1.713 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1540068878 DTWPXFKDSOVYDN-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1540074440 YUPMIWSHCODHIF-QGZVFWFLSA-N 417.535 1.541 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1)C1CC1 1540109492 QTGRQOURGFFFKP-HNNXBMFYSA-N 421.567 1.784 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(=O)NCC(F)(F)F 1540195798 IAVJDXGRMJXJSB-UHFFFAOYSA-N 412.416 1.966 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3N)CC2)cc1 1540648179 ZGNMILBQMVBDIO-UHFFFAOYSA-N 404.879 1.941 30 10 HDEE Cc1cc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)on1 1540728769 UGAUNLIQXJXLKT-UHFFFAOYSA-N 400.460 1.419 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540868007 OWNCGFULRZWCJA-CVEARBPZSA-N 415.494 1.496 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncnn2C(C)(C)C)C1 1540891512 VRCLFOYZMHRBPW-CVEARBPZSA-N 401.515 1.958 30 10 HDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1541256335 UCRYQCHPJLXAGV-CVEARBPZSA-N 410.544 1.563 30 10 HDEE O=C([C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1543704630 UKIFJFWNNHEICM-BDAKNGLRSA-N 414.343 1.254 30 10 HDEE C#CCN(CC(=O)N1CCc2ccc(S(=O)(=O)NCC)cc21)C(=O)OC(C)(C)C 1545092472 CBRXMOOPDMWTBQ-UHFFFAOYSA-N 421.519 1.744 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1555558555 WTKRBBKGHPQFHW-CYBMUJFWSA-N 418.420 1.217 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCN(Cc4ncon4)C3)CC2=O)cc1 1556564919 CFBKZHODCSMEEY-SJORKVTESA-N 408.462 1.323 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)C2)C1 1557993649 GAUKNGMKOMTDOO-LJQANCHMSA-N 402.476 1.891 30 10 HDEE C[C@@]1(C#N)CN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCO1 1560182052 CSNWWYPJTSMFBA-HXUWFJFHSA-N 420.535 1.092 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCC(=O)Nc2ncccc2C)ccc1F 1570120614 RWCRRZRYQCROBL-UHFFFAOYSA-N 420.466 1.752 30 10 HDEE C=CC[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1587997403 GTGXJTQTMTUUCA-KRWDZBQOSA-N 405.520 1.578 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1588034306 CWSGNWRXRCLXSF-HNNXBMFYSA-N 408.911 1.924 30 10 HDEE C#CCN(c1nnc(COCC)n1CCCc1c[nH]nc1C)[C@@H]1CCS(=O)(=O)C1 1588075152 ZBDQUUPSJLMGBU-QGZVFWFLSA-N 420.539 1.106 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)c1ccccc1 1588082832 ALOQRWSYCZRYCH-HNNXBMFYSA-N 421.473 1.753 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cc1 1588157543 CCBWVVUGPYZFFL-UHFFFAOYSA-N 413.415 1.348 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1Cc1nnnn1CC1CC1 1588210965 QKDSFJXBOJDACT-UHFFFAOYSA-N 404.453 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCOC1 1588595680 YJPUDFCUINKRCB-HXUWFJFHSA-N 422.432 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCNC(=O)C(C)C)CC1 1588806667 ZDDMCHLRJSAHPD-UHFFFAOYSA-N 419.533 1.954 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589482177 HBKVOSZRAMQNEB-FXAWDEMLSA-N 416.570 1.783 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1595442158 FFGYYMCXDIWQHB-OAHLLOKOSA-N 423.514 1.948 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)SC)C1 1595723208 SURNUXISHPRFNP-QLFBSQMISA-N 400.570 1.713 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2CCCO)C1 1595753806 IORVUIDQCVHVJM-CEXWTWQISA-N 405.543 1.758 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)Cc2ccccc2F)cc1 1596267264 XGWYIKRXRHONEH-MRXNPFEDSA-N 405.451 1.351 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCc2cnn(C)n2)CCOC1 1596792279 VJGGYHUKNIDJQY-OXQOHEQNSA-N 416.530 1.676 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1608399385 AQYABVXJXFZDED-XPGWFJOJSA-N 420.489 1.586 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)cs1 1612398619 MATDKQBUXYTWDX-UHFFFAOYSA-N 423.568 1.313 30 10 HDEE CCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)C1 1615799566 PVNALZCKFQZSIX-BOSXTWCSSA-N 406.506 1.786 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@@H]3COC(=O)N3)CC2)CC1 1620631258 QOQCONLLROCXQC-DLBZAZTESA-N 417.535 1.277 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC2(CC1)C[C@H](O)CNC2=O 1620636694 HYGCICLDYFFRRE-SJORKVTESA-N 414.506 1.293 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1622277932 HLHYITOVLDMGFA-CYBMUJFWSA-N 424.466 1.951 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1 1625171737 CISPQJZMXUYPJL-KRWDZBQOSA-N 422.503 1.668 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCN(C)CC1 1626060734 XQUKGXIUIQHYCX-GOSISDBHSA-N 415.538 1.756 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2cccc(Br)c2)CC1 1626966530 GHGUHEFFASQTPC-UHFFFAOYSA-N 414.250 1.435 30 10 HDEE Cc1cc(F)c(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136186 AGPQBUWHPCEGGB-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1628332468 QHOZSCIRNZQGAN-ZWKOTPCHSA-N 403.479 1.121 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccnc2N2CCOCC2)c1 1629550880 QKIOHKVKYWQTDN-UHFFFAOYSA-N 413.499 1.645 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCO)Cc2cccc(OCC)c2)c1 1629956341 OLQHTPWZHZEAFF-UHFFFAOYSA-N 416.499 1.632 30 10 HDEE COCCN(CC(=O)N(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1632734159 BJFZZNVLXBGGOR-CQSZACIVSA-N 406.870 1.128 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)c(Cl)c1 1635327934 FKADGMYDHZWKGJ-QAPCUYQASA-N 412.881 1.290 30 10 HDEE Cn1nccc1C1(O)CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 1637169864 CPOHLZPBHNOBCL-UHFFFAOYSA-N 409.490 1.957 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C2CCC(CC2)[C@H]1C(=O)OCC)c1cc[nH]n1 1637394202 ZMCPMYPTIKPSKK-FVKWTLKZSA-N 406.439 1.026 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](n2cc(C#N)c(I)n2)C1=O 1641225918 DKWJLYCWJGOUGZ-JTQLQIEISA-N 416.219 1.474 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1642506563 DEJLFCNIDXPMAC-KRWDZBQOSA-N 406.527 1.899 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1646254772 DAPSIKKAINORGZ-CYBMUJFWSA-N 422.507 1.933 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC[C@@H]3C=NNC3=O)C2)C1 1647860118 VPODZJWOSQJBME-MGVZARIASA-N 403.483 1.401 30 10 HDEE Cc1ccccc1C[C@@H](C)NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1652848622 FRJMIVVFUYXECZ-GOSISDBHSA-N 408.502 1.608 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cnn(CC2CCC2)c1 1653511210 YIPHPHDCTQKSKS-CQSZACIVSA-N 415.519 1.989 30 10 HDEE CN1CCCC[C@H](N(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1=O 1655262523 RWELLTSIELIPJQ-DLBZAZTESA-N 403.552 1.400 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1658720956 YPWUNWHPWIBYRP-FQEVSTJZSA-N 405.520 1.114 30 10 HDEE N#CCC1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CC1 1662725250 DHZNNUUPWYRDNZ-IBGZPJMESA-N 421.519 1.979 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1671750971 HCMLPIMXDTUVIL-UHFFFAOYSA-N 404.941 1.462 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675013895 DAFIINRMRSETNT-UHFFFAOYSA-N 412.421 1.392 30 10 HDEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(OCC2CC2)c(F)c1 1680393744 AVHORPFEBDSGAD-GFCCVEGCSA-N 415.425 1.809 30 10 HDEE C#CCN(C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1682594170 VJXRKQIOFWKDGS-UXLLHSPISA-N 403.504 1.185 30 10 HDEE CN(c1cccc(CNC(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1)S(C)(=O)=O 1684651846 ZVCMDGAGRCIXNU-UHFFFAOYSA-N 414.487 1.927 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1685441213 FLBAQMNKBSXHBV-GJZGRUSLSA-N 404.540 1.346 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)N2CCN(CCC#N)CC2)C1 1686487191 LCHJTQSHGPNAFY-AWEZNQCLSA-N 401.458 1.872 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1686633900 FDGKISXQQPEENK-UHFFFAOYSA-N 412.943 1.311 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)NCC#C[C@H]2CCCCO2)n1 1687122912 IROFVYMUEMLIRZ-OAHLLOKOSA-N 419.482 1.579 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1689849405 LSGJQUYSNPJZKI-WMLDXEAASA-N 410.478 1.213 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1689850784 HKXRPKHKDGJVHQ-IAGOWNOFSA-N 421.567 1.431 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCC1(O)CCOCC1 1690019921 UYHIFIUPTWZDKK-HXUWFJFHSA-N 422.485 1.795 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCOCC1 1690028059 JENPMFKYJBAQJZ-GOSISDBHSA-N 411.481 1.790 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cccnn2)CC1 1690330180 CMDMOYZEFNECQJ-HNNXBMFYSA-N 407.906 1.871 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1690603801 IMJKOSYQXRDBQU-QZTJIDSGSA-N 408.506 1.743 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690725689 YVHUIBKKOHECSA-CVEARBPZSA-N 400.545 1.318 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1692588039 YDCUFKNAGNCQLT-QMMLZNLJSA-N 419.526 1.864 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1692741532 HBATXAHYISXOJW-DYESRHJHSA-N 417.558 1.515 30 10 HDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)Cc1ccccc1 1696811824 FXXPWGDSMVTTCN-IBGZPJMESA-N 423.521 1.375 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCOC)C1 1696927587 OLRPCJIYRNGTAO-OAQYLSRUSA-N 412.494 1.728 30 10 HDEE COCC1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697877342 PCKBRFQNVAXEGE-FMQUCBEESA-N 416.526 1.866 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705561425 TYXDFTQQAFRRCQ-KURKYZTESA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564331 BSTLABUWLOPHRI-CHWSQXEVSA-N 406.430 1.361 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1705571361 YXHBCNAESKAABD-KRWDZBQOSA-N 406.552 1.674 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCNC2=O)CC1 1705734181 GCQQYHQBGNOHGU-UHFFFAOYSA-N 414.514 1.265 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1705891615 NLEUGMRQDDZVSO-HUUCEWRRSA-N 402.524 1.960 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccs2)CCOC1 1706679959 NSAOVBRYFCUSHW-DNVCBOLYSA-N 418.523 1.747 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1706951146 UCXSKSRRICBXRZ-QGZVFWFLSA-N 415.519 1.867 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722321523 GWQBCNQEMDMGCM-HRAATJIYSA-N 403.527 1.994 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOC[C@@H]1C 1722330648 WEMWCJZKBMYRSD-HNNXBMFYSA-N 402.524 1.877 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1722368590 TUSGVSMSUFZBRW-BRWVUGGUSA-N 424.592 1.552 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1722405994 TYRJHZWJUIROER-QFIPXVFZSA-N 418.586 1.416 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCOC2)C1 1722626758 IIMQUNMJWLHSBX-OAQYLSRUSA-N 416.526 1.728 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1722629886 ZZONRCJMVJQZBF-UHFFFAOYSA-N 422.537 1.917 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1722652840 OLVBJTFVLZGYKR-UHFFFAOYSA-N 409.538 1.583 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1726751781 HYVLAZXKOREHHH-INIZCTEOSA-N 414.535 1.106 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1728655367 CEPNIYHRIVZAQZ-MGPUTAFESA-N 413.526 1.666 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1740553748 UHXYTNQHHLNQRS-RHSMWYFYSA-N 400.504 1.717 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1740623517 VVPJUPVRAZGYNM-KRWDZBQOSA-N 417.539 1.244 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627402 QGZOFARFMVTRBN-IKGGRYGDSA-N 424.567 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1ccc(S(C)(=O)=O)cc1 1740687287 YFUAYIHCYNXCSS-UHFFFAOYSA-N 402.520 1.768 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1743269255 WFQIYYDPPAUVDH-MQINBFPNSA-N 411.466 1.413 30 10 HDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1747329973 AVYMMSCUGWBCCA-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE CN(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1747558314 GOAVDDCXBOPPRC-ZWKOTPCHSA-N 407.478 1.889 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1748045727 JZKMGSNOYUUXPT-HNAYVOBHSA-N 400.870 1.806 30 10 HDEE COC1(C)CN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748484981 OCJOQAQSIHXIFD-DUPDJQDOSA-N 416.482 1.271 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CCn2cncn2)c1 1748692942 SROWAQQVDFZQPQ-UHFFFAOYSA-N 404.478 1.894 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1748747284 FXRLMQFEQBTZGB-KRWDZBQOSA-N 407.540 1.200 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1Cc1nncn1C 1748800004 QAEQYMZCGDKGHI-UHFFFAOYSA-N 416.283 1.866 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748822151 YYNAUOYJPDVYBM-QGZVFWFLSA-N 419.551 1.217 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1748974757 VFIFQZRBNITHGY-ZFWWWQNUSA-N 411.466 1.680 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(O)cc2)CC1 1748979006 STLINXPZZVXFRB-QFIPXVFZSA-N 411.506 1.439 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)N(C)C)CC1 1748999816 GRKGJHWWLAFBMY-KRWDZBQOSA-N 400.502 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCSC)CC1 1749000858 BVTKWJZWRZNAIM-ROUUACIJSA-N 407.584 1.901 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1749019866 DYPXPTAJRVCEGD-DLBZAZTESA-N 402.568 1.553 30 10 HDEE C=CCCOCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1749461151 NYKKUBHXUXDTDK-NHCUHLMSSA-N 419.526 1.239 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(N(C)C)CCC2)C1 1749713136 PHGFMWSDLQRJEC-DLBZAZTESA-N 423.583 1.446 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccnc1 1749830258 HRLRZJBCJDIDLH-KRWDZBQOSA-N 418.523 1.184 30 10 HDEE CC(=O)Nc1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1749907408 FAYNFYUNJYWCRX-IEBWSBKVSA-N 410.478 1.908 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1\N=CC=CC1=O 1750468834 RHUXVDNNPGZVSU-JSKCELRFSA-N 414.510 1.761 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1760120342 IPUBHBDAOWHSPG-MRXNPFEDSA-N 419.551 1.663 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(COC)CC1 1760130652 KREJNMLNAMVEMJ-INIZCTEOSA-N 411.572 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNC(=O)C(C)C 1760198812 JNKNFDLCUSURQW-UHFFFAOYSA-N 407.474 1.909 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@H](C)N(C)C)CC1 1760261116 LEFYSIOBMWUYEP-IBGZPJMESA-N 405.550 1.986 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccn2)CC1 1760279928 BNFCFPZSRBCGBV-KRWDZBQOSA-N 413.551 1.655 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncnn1CC(F)F 1760280591 KZGLQKKJXDMYOT-GFCCVEGCSA-N 424.481 1.089 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1760435803 WMGRVAQUBCAJAV-UHFFFAOYSA-N 411.554 1.994 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1nccs1)C1CC1 1760476859 IUUBVXQULXFNJR-CQSZACIVSA-N 424.552 1.271 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](COC)C1 1760514663 KIKUTCXTKLMPJV-HNNXBMFYSA-N 413.482 1.090 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](C)C1 1760521614 YQSIWWPBZAALFY-ZDUSSCGKSA-N 409.450 1.121 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1760525083 SXKNTTILXYACPA-MRXNPFEDSA-N 416.913 1.539 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCC[C@@H]1CO 1760934286 ZOCDUQMPXPAATD-WOJBJXKFSA-N 415.586 1.815 30 10 HDEE C[C@H]1N(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CCOC1(C)C 1763266356 DUASOLISJSEBAQ-OAHLLOKOSA-N 422.493 1.909 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCC(=O)N1 1768855903 ZBAHMKIJVFTGAC-GOSISDBHSA-N 402.462 1.564 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N(C)CCCC)cc1)[C@H]1CCN(C)C1=O 1848781469 HXKITBCBOUUKDN-SFHVURJKSA-N 407.536 1.966 30 10 HDEE CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1CN(c2nccnc2C#N)C1 1849516234 ZRINEROSNZTRAM-UHFFFAOYSA-N 405.867 1.123 30 10 HDEE C=CCN(C(=O)C1CN(c2nc3ccc(OC)cc3s2)C1)[C@@H]1CCN(C)C1=O 1849906666 DLZHLQGQTZMIIW-MRXNPFEDSA-N 400.504 1.986 30 10 HDEE N#Cc1c(Cl)nsc1N(CCN1CCOCC1)C(=O)CCN1CCCCO1 1851221848 BCAQPIIFPUPTFU-UHFFFAOYSA-N 413.931 1.751 30 10 HDEE COC(=O)C[C@H](NC(=O)Cc1cc2c(cc1C#N)OCO2)c1ccc2c(c1)OCO2 1851260952 WHDIYMGXMARIHY-HNNXBMFYSA-N 410.382 1.979 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1C(=O)CN(C)C(=O)[C@@H]1c1cccc(F)c1 1851338433 GFLRKANSOLAFKY-IBGZPJMESA-N 411.389 1.653 30 10 HDEE CCc1c(C(=O)N(C)C(=S)N=CN(C)C)nnn1-c1ccc2c(c1)OCCO2 1852434957 FOOZFDAEJLCWMS-UHFFFAOYSA-N 402.480 1.548 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1 1853585825 HJPSPUMBZBQNIR-UHFFFAOYSA-N 400.435 1.300 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4cccs4)C3=O)CC2)CC1 1853675602 LFZAJMYTFYETKF-QGZVFWFLSA-N 414.531 1.963 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCCc4cc(C)nc(OC)c43)C2=O)CC1=O 1853792918 AVIFRTWTSLXUSC-IAGOWNOFSA-N 412.490 1.313 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn(C(C)C)c2)C1=O 1854190821 SBQDUMPJKRPDRM-QZTJIDSGSA-N 401.511 1.704 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1Cc1cccc2c1OCCO2 1854390806 GGWYPMUFBVRMSV-UHFFFAOYSA-N 406.442 1.988 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccn2)C(=O)C12CCCC2 1854415523 DXVUOGNAULQUIP-HUUCEWRRSA-N 402.476 1.022 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CC(Cn4cc(C)cn4)C3)C2=O)CC1=O 1854882011 YIWBQEMNVZMRMW-RBUKOAKNSA-N 413.522 1.066 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1855033114 KTPKVDZIPULEFH-AWEZNQCLSA-N 401.492 1.346 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)Cc2ccc(F)cc2F)CO1 1855323627 ITWNHDZAYJUYJV-OAHLLOKOSA-N 408.382 1.927 30 10 HDEE CCCN1C(=O)CN([C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)c2ccccc21 1855594819 DOTLRASJWKZKCE-IBGZPJMESA-N 403.442 1.958 30 10 HDEE CCn1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c(C)n1 1856379487 YANAXKHRLOSBTJ-OAHLLOKOSA-N 408.462 1.230 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C[C@@H]1CCOC1 1856907199 XIPDNJOULCYKAR-AWEZNQCLSA-N 405.476 1.453 30 10 HDEE C[C@H](Oc1ccccc1F)C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857178139 SWKHMJWKNITWMD-IRXDYDNUSA-N 402.470 1.642 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cc(-n4cccn4)ccn3)C1)CC2 1857231765 GWUXWZCJLQGZFJ-IAGOWNOFSA-N 404.474 1.882 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857339472 PFNYEGIMHANBKQ-IRXDYDNUSA-N 420.510 1.375 30 10 HDEE Cc1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)nn1C 1857473035 DEWNINQJOAORJK-OAHLLOKOSA-N 408.462 1.137 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)Cc2ccc(F)cc2)C1 1858336487 RZIXHJZVVNFVLC-QGZVFWFLSA-N 423.491 1.580 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccccc2)cn1CCO 1870397110 SGBAOFWZQGSNBS-UHFFFAOYSA-N 411.502 1.710 30 10 HDEE C#CCOc1cn(Cc2cccnc2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871005646 QRXZKXVGQDQNQC-UHFFFAOYSA-N 424.482 1.563 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)O 1885479901 VRGOGMUSMVAEGS-GJZGRUSLSA-N 411.524 1.511 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1890805127 TZBXKHQSJDWNQK-IBGZPJMESA-N 421.538 1.782 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1 1890872353 MBMCUYIHOXDAEZ-UYAOXDASSA-N 403.548 1.786 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(COc3ncncc3F)CC2)cs1 1891410048 XGDXEKMKWURXIU-UHFFFAOYSA-N 405.455 1.919 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891469977 HOYWTKRJMYJGCM-UHFFFAOYSA-N 408.418 1.428 30 10 HDEE CN(Cc1nnn(C)n1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 1892997896 PVAVHEBEWMZJNB-UHFFFAOYSA-N 409.097 1.303 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NCc2occc2B2OC(C)(C)C(C)(C)O2)C1 1975562767 YKUWRUXZUSLIEZ-UHFFFAOYSA-N 408.304 1.650 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985097073 AFFGOGJBJXRJKB-ABHRYQDASA-N 410.320 1.811 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985172316 FKJSLAQEFNBNGH-LJQANCHMSA-N 415.538 1.679 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1988011874 CKCJFPIOPGCFSS-VQIMIIECSA-N 417.506 1.741 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)Nc1ccc(Br)cc1C#N 2124719940 QKPOYBLSXKHCKJ-ZDUSSCGKSA-N 423.267 1.995 30 10 HDEE C#CCOCCOCCO[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2133403264 PPGMLEZIIYYXAR-NRFANRHFSA-N 405.447 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174789610 SLGGEAMWDCVYTN-CQSZACIVSA-N 419.569 1.579 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)([C@H](CS(=O)(=O)N2CCOCC2)NC)C1 2183053508 QKNVOTBXKMMKLD-HNNXBMFYSA-N 403.545 1.098 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2199855651 LVSHQPKHCKGSQA-KUHUBIRLSA-N 400.541 1.893 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCCO1 2243380893 GSLDAYSTXUBSDI-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1C(=O)[C@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2243394216 DQFMZNVRLDJWAG-XGUBFFRZSA-N 410.320 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)(C(=O)O)C1 2247188561 OMQLPRIRXAOVCV-UHFFFAOYSA-N 420.271 1.834 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247916747 DDTGZZPSRLQKNS-OLZOCXBDSA-N 420.319 1.742 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)COCc2ccccc2)n1 2247920984 HJENSJLUZPGMJN-UHFFFAOYSA-N 414.315 1.840 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2247943396 FQSOEAUBXUIWTO-UKRRQHHQSA-N 419.331 1.967 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C2)C1 2248524702 BQIIGYUIGBLAEC-UHFFFAOYSA-N 419.331 1.289 30 10 HDEE C#CCCN(C(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158451 LTGVYINVVYKBMH-MRXNPFEDSA-N 410.492 1.820 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2269036784 GJHWWXRLQHXRBN-UHFFFAOYSA-N 409.360 1.207 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@H](S(C)(=O)=O)C2)OC1(C)C 2281998586 QVEUWXSJKLEBCZ-NSHDSACASA-N 400.331 1.092 30 10 HDEE C[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1C 2282330509 AKMUXWPHUYPOKF-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(CCN)CC2)OC1(C)C 2282333350 NJCXVBUITJBTEM-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282425546 RAXWISWDLUBVGK-OLZOCXBDSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282484486 DBAPPXWSDCJURE-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@@H](CO)C2)OC1(C)C 2282497419 PLTHQMJJAQBXQY-OCCSQVGLSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@@H]3[C@H](O)CO)c2Cl)OC1(C)C 2282655431 PIWHVYDBHKQYCJ-VXGBXAGGSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@](C)(CO)C(F)F)OC1(C)C 2282840427 GTKJAOMCFCYTHV-OAHLLOKOSA-N 411.301 1.483 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845865 ZXPJVAXSZTUDLK-LBPRGKRZSA-N 402.347 1.189 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CCCNC3)c2)OC1(C)C 2282851463 CFCSSZMVQCWIEH-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CN)C3CCCC3)s2)OC1(C)C 2282868331 LXEAFOFUEUGQMY-CYBMUJFWSA-N 400.375 1.843 30 10 HDEE C[C@@]1(C(=O)O)CN(C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)CC1(F)F 2295481350 IYYHNLNXOFVAKS-IUCAKERBSA-N 400.222 1.554 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CP(C)(C)=O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2342049182 ROHYFENSFKFJTP-ZIAGYGMSSA-N 406.485 1.800 30 10 HDEE CC[C@@]1(C)[C@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2361992815 UGQOZSUJRSTKAA-DYVFJYSZSA-N 401.359 1.971 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CCC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365170375 NPNRIBLOHIWRPD-YCMKEVRSSA-N 402.557 1.729 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C 2365203787 VFUDIQRWNXWIPH-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)C 2365214112 ZSRNDQWCRVFGEA-DNVCBOLYSA-N 404.573 1.703 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245032 WZOJHWJYUFEUTQ-UGSOOPFHSA-N 405.513 1.976 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365248225 KZLZQGDOBAMZCU-KGLIPLIRSA-N 405.513 1.976 30 10 HDEE CC(C)N1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2367665433 BQZWLXBLDQRBME-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)C1COC1 2367789299 RKAJTCJVCKAOKI-CVEARBPZSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367790002 FQFWRYGHGMLJHF-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](CC)(COC)NC(=O)OC(C)(C)C 2367792481 OZEMPHCTTMWIGI-BEFAXECRSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367802986 GVNMOHUMSOPLKE-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367816462 JTQDZVPVSVZJQZ-IIDMSEBBSA-N 400.541 1.306 30 10 HDEE CCN(Cc1ccccc1)C(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N 5366780 GJDOCGJYCLCHNE-UHFFFAOYSA-N 415.471 1.428 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@@H](O)C[C@H]4[C@](C)(O)[C@H](OC)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C 8221345 POGHHDUAPIJTLG-CVCWIBDGSA-N 410.507 1.248 30 10 HDEE in-vitro N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCn2cnc3ccccc32)CC1 30019134 TYECUPJDBWPYKV-UHFFFAOYSA-N 423.498 1.831 30 10 HDEE Cn1c(=O)c2[nH]c(Sc3nnc(N/N=C/C=C/c4ccccc4)[nH]3)nc2n(C)c1=O 105378640 VSDPMDCXWZNBNH-AVSIYSEJSA-N 423.462 1.341 30 10 HDEE N#Cc1ccc(CN2CC[C@H](Nc3cc(N4CCCC[C@H]4CO)ncn3)C2=O)cc1 302861644 VMKXKGZKNFNGJK-OALUTQOASA-N 406.490 1.912 30 10 HDEE CN1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(Cl)c(F)c1 409478058 ZBHRUDZRRATIIA-UHOFOFEASA-N 402.879 1.283 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 410203331 GLNKNQYYQXYUQN-VQIMIIECSA-N 420.535 1.829 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccccc1C 440383118 UIPDRCBNOPOJKS-UHFFFAOYSA-N 405.479 1.914 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)C1CCC1 460768557 HSVZWUNLHVDDQO-KRWDZBQOSA-N 409.556 1.956 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCS(=O)(=O)c3ccccc3C2)cn1 481373301 NBQHRTDEZFBCNG-UHFFFAOYSA-N 408.443 1.960 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)cc1C#N 489219629 OOKRCRHSOGBJRN-UHFFFAOYSA-N 413.547 1.700 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490042371 ILPSDBPQVMMFNL-AWEZNQCLSA-N 404.404 1.712 30 10 HDEE Cc1cc(N2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)nc(C)n1 490492886 RXBUOYJBPHWSBE-UHFFFAOYSA-N 420.521 1.861 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCOC1 504278019 BCLXYUBIHGNJBN-DOTOQJQBSA-N 406.508 1.389 30 10 HDEE COc1ccc(C#N)cc1CN1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506631673 ATEQKIXQYXUVDA-FQEVSTJZSA-N 422.533 1.922 30 10 HDEE Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2cccc(C#N)n2)CC1 508607452 BNLAYMQNDMTWEU-UHFFFAOYSA-N 413.445 1.724 30 10 HDEE C=CCn1c(CCC(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 508815858 DTSDIGNRBOQUQE-KRWDZBQOSA-N 411.572 1.684 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 508938386 JFQKVGYYWRPYJZ-TZMCWYRMSA-N 409.516 1.225 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)N2CCc3sccc3C2)CC1 522310309 KLZDOZBONJLVMP-MRXNPFEDSA-N 405.568 1.124 30 10 HDEE CN1CCN(Cc2ccc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2)CC1 545489682 HDMHWJMYBLIEQW-UHFFFAOYSA-N 404.518 1.663 30 10 HDEE N#CC1(CS(=O)(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCCC1 546095033 UVNRXDXUMJNBGK-UHFFFAOYSA-N 422.526 1.868 30 10 HDEE Cc1cc(Cl)c2c(c1)c(=O)c(C#N)cn2CCNS(=O)(=O)c1cnn(C)c1 548952703 SWJYMFGYCHOLFW-UHFFFAOYSA-N 405.867 1.547 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cc(C)cn2)CC1 549692764 IOCOHTUWZIXNGQ-MRXNPFEDSA-N 421.571 1.886 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)c1C#N 555153756 WTJYCKPXUNRPBU-UHFFFAOYSA-N 411.553 1.370 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CC(=O)NCC)CC1 555245423 ISSHQRJJXSMVQB-UHFFFAOYSA-N 413.482 1.688 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)O)cc1Br 618952743 STTFEPUBTGGTPL-CQSZACIVSA-N 416.297 1.538 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(NC(=O)COC)CC1 619741378 XMFSZAJKTYYESN-UHFFFAOYSA-N 400.439 1.771 30 10 HDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2CCOC[C@H]2C1 670202465 UOPPHFHOMFOMCL-LJQANCHMSA-N 424.553 1.549 30 10 HDEE CN(Cc1cc(C#CCN)cs1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703972166 PBTWGMWTYJZIDX-UHFFFAOYSA-N 417.512 1.116 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C 734293830 OZVWPMMWFVIFPA-KRWDZBQOSA-N 400.460 1.521 30 10 HDEE CCCc1ccc([C@H](C)N(CC(N)=O)C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746156855 DODSPQSOZJTFSD-SKAIHHOBSA-N 412.490 1.931 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 747870006 BMTFEBLIIYYQBS-UHFFFAOYSA-N 414.267 1.521 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)c1 756976777 ZFPSGVAOEXMFJP-VQIMIIECSA-N 413.522 1.912 30 10 HDEE CN1C(=O)C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(Cl)cc1 769104668 JCZGKUAIKAGPDU-BXAQKGHLSA-N 416.865 1.645 30 10 HDEE C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccc(Cl)cc1 769557809 ODLFTPONDLRCJI-XHDPSFHLSA-N 407.879 1.617 30 10 HDEE C#CCN(C(=O)NCCCc1cn(-c2ccccc2)nc1C)[C@H]1CCS(=O)(=O)C1 774167029 HRPIVVYVIVYFGE-FQEVSTJZSA-N 414.531 1.945 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774173211 VREPLCJYVXZGIS-KDOFPFPSSA-N 418.519 1.863 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 774245991 GDDHAIVXNHFWTC-RLLQIKCJSA-N 403.548 1.871 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CC2(COc3cccc(COC)c3)CCC2)CC1 776003415 WQAOAQQBARVTGA-UHFFFAOYSA-N 421.563 1.467 30 10 HDEE COc1cc(OC)c(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)c(OC)c1 778769374 MHFBIDIAONDKGG-GFCCVEGCSA-N 420.443 1.856 30 10 HDEE CCOC(=O)N1CCN(C(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780176940 QTYZDJJDZNNODF-LJQANCHMSA-N 411.455 1.092 30 10 HDEE COC(=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 782818124 UXSPYWRTTYLMKL-UHFFFAOYSA-N 402.432 1.326 30 10 HDEE Cc1cccc(CNC(=O)[C@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 786548864 BZRVQWLNEVGZMC-XKZIZAOGSA-N 410.474 1.821 30 10 HDEE CCN(CC)Cc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 787885197 HYQMCFQWABRAEB-VHEBQXMUSA-N 413.478 1.110 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C=C/c2cc3cnn(C(C)C)c3[nH]c2=O)n1 790104531 FBDHVDJMHACLNZ-VOTSOKGWSA-N 422.489 1.824 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 794893172 CXXUQKHOVGGMKM-NEWSRXKRSA-N 420.437 1.579 30 10 HDEE C[C@@H](C(=O)O[C@H](C)C(=O)NC1CCN(Cc2ccccc2)CC1)n1cnc(C#N)n1 798744785 BXLZKYMECOYFMW-JKSUJKDBSA-N 410.478 1.423 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)ccc1F 803564459 NDGBHTDAFMHLHV-BBRMVZONSA-N 402.488 1.178 30 10 HDEE CCOC(=O)N1CCN(C(=O)COC(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 803924853 YRMUFUUPVVCPQB-UHFFFAOYSA-N 403.410 1.573 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1ccc(F)cc1 812525795 NDCMVLGBYNQQGG-OAHLLOKOSA-N 400.428 1.989 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc(F)nc2C#N)cc1 814393032 GQMFWPGJUOXNKC-UHFFFAOYSA-N 413.452 1.794 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn3c(Br)cnc3s2)CC1 814836479 OWHSCTVGAJJBCQ-UHFFFAOYSA-N 412.313 1.218 30 10 HDEE CC(=NNc1nc(SCC(=O)Nc2nc[nH]n2)n[nH]1)c1ccc2c(c1)OCO2 1084020638 BYITYMYWFMJWDA-UHFFFAOYSA-N 401.412 1.218 30 10 HDEE O=[N+]([O-])c1cc(Br)c(O)c(C=NN=c2nn[nH]n2-c2ccccc2)c1 1084367597 PMVUUIWQDBSFMA-UHFFFAOYSA-N 404.184 1.907 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)COc1cccc(Br)c1C#N 1128109572 NHXFZMQUCKVZIC-GDBMZVCRSA-N 413.268 1.636 30 10 HDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1cccc(Oc2ccc(C#N)cc2)c1 1131778996 WQQXZKLNDYJTNI-KRWDZBQOSA-N 415.471 1.741 30 10 HDEE C=CCN(C(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136358138 GBGKBSSWTLWLEX-IAGOWNOFSA-N 423.535 1.719 30 10 HDEE C#CCN1CCCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1136861720 JLPIQBSWEQHINO-UHFFFAOYSA-N 418.291 1.603 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)ccc1F 1142055745 KBAWTEMFWUVUGN-CQSZACIVSA-N 412.487 1.166 30 10 HDEE C=CCc1cc(CNC(=O)c2cc(S(N)(=O)=O)cnc2C)cc(OC)c1OC 1142603580 LGGQPQZTXONYQB-UHFFFAOYSA-N 405.476 1.713 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCCC1 1147669115 OQWLCYROPMEKCT-CQSZACIVSA-N 404.492 1.277 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(C)C)C1=O 1148120573 RWRBTKOAMSQPID-AWEZNQCLSA-N 422.482 1.067 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)c1 1150271656 MACPDLTVGFONOM-UHFFFAOYSA-N 424.544 1.170 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CO[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1157760045 HOFNKKSBYHMAOW-OAHLLOKOSA-N 409.483 1.708 30 10 HDEE N#Cc1c(NC(=O)CN2CCC[C@H]3OCCNC(=O)[C@H]32)sc2c1CCCCC2 1175609622 AZBAAXJMRAEOGR-QAPCUYQASA-N 402.520 1.807 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1175918253 XHGGLJYSLMFGSF-AWEZNQCLSA-N 404.529 1.244 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCCOC1 1176202787 PCPPRHNONPUVSF-JBACZVJFSA-N 418.513 1.566 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H]3c3nn[nH]c3C(=O)OCC)cc2C1=O 1177564944 ABNYNYZQNXJWDS-OAHLLOKOSA-N 423.429 1.741 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1178552516 SFHPXVAKSQPSQB-GFCCVEGCSA-N 414.480 1.353 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@H](COC)O2)c1 1178597056 AVTMXRZWUPNACJ-BHIYHBOVSA-N 424.519 1.186 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1189623401 HLWOJHSKYYWZHK-RTBURBONSA-N 408.520 1.871 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1194845437 DNVNPCIRNLFMMF-INIZCTEOSA-N 400.522 1.585 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1221821481 NQRKNYVJIZFVMD-KSZLIROESA-N 416.526 1.315 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1221993109 SLCOZBBUCLENEY-GOSISDBHSA-N 422.551 1.453 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286290316 RNVNCMYPMOMSSA-CVEARBPZSA-N 422.489 1.548 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1286394351 OLVXVEGYRJHRDY-RBUKOAKNSA-N 414.531 1.765 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286399032 XBOZYOQNTIXEPR-ZACQAIPSSA-N 422.551 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1286412374 ABWXPKSJFLRKDU-ROUUACIJSA-N 421.492 1.601 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1286431194 MRUWFUUMMYAGRC-IBGZPJMESA-N 416.489 1.659 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccccc2COC)CC1 1286478820 GTEGPBWAXNYKPW-LJQANCHMSA-N 408.506 1.179 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1286494222 STUYLRCVTHOLOR-AEFFLSMTSA-N 414.554 1.231 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286783476 SBDRRGAVRVTXDW-LJQANCHMSA-N 410.522 1.915 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCOC2)C1 1286807791 RBKGVUZRNZLMSS-UWJYYQICSA-N 402.470 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC1CC1 1286820127 FNXPBYGVGRBLPB-HNNXBMFYSA-N 416.569 1.017 30 10 HDEE Cn1cc([C@H]2CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC23CCOCC3)cn1 1298163953 KTEXXINVHKIYFQ-ZBBYCGENSA-N 413.478 1.059 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300421454 HFFJABYMXDDDKA-KRWDZBQOSA-N 424.509 1.026 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1300502666 VTUXHVRMLUSSNW-OALUTQOASA-N 418.563 1.983 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2sc(C)nc2C)CC1 1300680853 GERHPXYLBUMLDD-UHFFFAOYSA-N 413.551 1.391 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCC(=O)N2CCCCCC2)CC1 1300710044 QDEPLCGDBGPSKA-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@H]1CC 1301251670 GKMOGHYFZNRANC-OAHLLOKOSA-N 416.482 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCS[C@@H](C)[C@H]1C 1301589174 OQTSABCUGRVCET-QLFBSQMISA-N 400.570 1.713 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)C1 1301593969 ZDTQMGTXNUREFT-UHFFFAOYSA-N 422.555 1.356 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)CC1 1302878715 PIIILENNQGMANJ-FUHWJXTLSA-N 405.495 1.143 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Cn2cnc3ccc(Br)cc3c2=O)C1 1303557201 OKBLKHFCMNWDRW-CQSZACIVSA-N 403.280 1.373 30 10 HDEE C#CCN(C(=O)c1cnc(C(=O)OC)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1303656396 WEEGVVBNZOQARH-UHFFFAOYSA-N 402.451 1.738 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CC2)cs1 1304675162 DWQSOZCPFTYCKT-LOKFHWFJSA-N 406.537 1.274 30 10 HDEE C[C@@H]1CC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1304931497 CXZJUDHSOLEKBR-INMHGKMJSA-N 402.499 1.446 30 10 HDEE CCc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1305593395 WKZCXPQHIRGRDQ-UHFFFAOYSA-N 403.236 1.843 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C[C@@H](O)c1cccc(C#N)c1 1307909297 PLFBTNKIYZSJFS-FZKQIMNGSA-N 402.476 1.198 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OC 1309864765 WRXRQUWNKJTSMM-AWEZNQCLSA-N 413.448 1.436 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CCNC3=O)CC2)cc1 1310131974 WYHPBYDFZHKEIV-UHFFFAOYSA-N 406.508 1.627 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1 1311720200 AOXUWNFUBZARHS-HZPDHXFCSA-N 412.494 1.713 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CCCN2CC(F)F)C1 1312467899 CUPIKGMICTUOOR-IHRRRGAJSA-N 401.458 1.774 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)CCOC1 1314134527 NWJYRAKLMPTYFY-GHTZIAJQSA-N 418.542 1.269 30 10 HDEE COCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1316067219 CHWXEKCMOYFZCM-UHFFFAOYSA-N 412.542 1.573 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOCc2ccccc2)CCO1 1316537529 CMOMPPVERSNAEY-RBUKOAKNSA-N 424.505 1.955 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCSCCCO)CCN1C1CC1 1316538187 HYTXJIKNFNDQQC-KRWDZBQOSA-N 413.551 1.632 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H]4CCC[C@H](C3)C4O)CC2)cc1 1318610794 LWVDCHXCEPDHSV-UFRUDQCGSA-N 417.531 1.578 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1320367887 KOASUWCMRLOXMV-NVXWUHKLSA-N 423.491 1.799 30 10 HDEE N#Cc1ccc(CNC2CCN(CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)s1 1325794303 OFJVUONRVPWDTF-RMMWZPCPSA-N 400.548 1.713 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CCc2cnn(C)n2)c1 1355959194 BFVHYCVVYGSIMF-PTGBLXJZSA-N 418.523 1.979 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@H](O)C1 1358952763 XCQAVLBDRJWWKZ-FQEVSTJZSA-N 422.533 1.085 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@@H]1C 1358974313 YSWPLUUMSMXVDI-HTAPYJJXSA-N 416.489 1.545 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCC(O)CC2)CC1 1359040668 DBXYJFOHJPRNHQ-UHFFFAOYSA-N 416.570 1.214 30 10 HDEE C=CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1359220623 DNJROTCGEBKUCK-QFBILLFUSA-N 412.556 1.910 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1359286333 JLQCCVIWOOISGD-UHFFFAOYSA-N 407.482 1.827 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)c2ccco2)C1 1359325119 YSHXTLXAIDUSGA-IERDGZPVSA-N 415.494 1.683 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)c1 1445526979 NGSZTFMGGXXSND-ZWKOTPCHSA-N 409.483 1.496 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccn(CC(F)(F)F)c3=O)C2=O)cc1 1448838260 FYSXAMBGPAAPNT-INIZCTEOSA-N 418.375 1.813 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCN(c2ccsc2C#N)CC1 1453387143 CWOPXWAUTLYYFT-INIZCTEOSA-N 414.535 1.765 30 10 HDEE CC1(C)CC[C@@H](CNC(=O)Cn2cc(C#N)c(O)nc2=O)N(C(=O)OC(C)(C)C)C1 1454733422 PWQZNGFIKBLBQV-AWEZNQCLSA-N 419.482 1.362 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1cc(C)c(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 1459588695 YOJDGWZOGMTXFC-HXUWFJFHSA-N 415.471 1.874 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1 1460096120 DXWKPHNODVUWQT-UHFFFAOYSA-N 405.442 1.797 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C[C@@H]1C(=O)OC 1463401740 VVWBPRFHLVXVKJ-CALCHBBNSA-N 409.398 1.780 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1464921143 CHOJDNXJHCLESU-LKXWOGMASA-N 406.483 1.713 30 10 HDEE COC(=O)CCN(C[C@H]1CCCO1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1465205310 UCPNLZTUWXNUFH-CYBMUJFWSA-N 412.439 1.307 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1C1CCOCC1 1472281044 SEZMPQNARAGKPX-UHFFFAOYSA-N 417.491 1.692 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1478553060 SHVBOYXPIFXNBM-RTBURBONSA-N 422.551 1.329 30 10 HDEE Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492814133 JDIOYAIGCQFDRS-FMQUCBEESA-N 422.489 1.601 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1494787229 RTBBKAJPXVTFAK-LZJOCLMNSA-N 413.478 1.338 30 10 HDEE CN1C[C@](C)(Cn2c(CCOc3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1503675640 SNIPIJLWTMRJRE-RTWAWAEBSA-N 412.469 1.820 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)C1 1505314681 IMSQKKJVXYGFIZ-QMTHXVAHSA-N 406.409 1.967 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1507632662 OSXLCUWOQIBDDJ-IRXDYDNUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(CS(C)(=O)=O)c1 1507646345 MYEOEFGHQLYSTN-UHFFFAOYSA-N 407.499 1.939 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCCN2CC)CC1 1507715827 IPYLYTXCWCIBIN-GOSISDBHSA-N 401.559 1.046 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1507752709 DPFRBPKYZNUCPX-UHFFFAOYSA-N 420.560 1.501 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@H]1CC 1507847159 HCLBTHODQVWGPH-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507902196 CKUOPTHEDVJMIY-SJORKVTESA-N 416.526 1.127 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1507965853 WEBCEMLUQQPKFC-LJQANCHMSA-N 418.586 1.956 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC(C)C)C1 1508112733 BXVIEEMCXQMNNE-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)CC1 1508335615 GVPQIXOAWWFIOP-UHFFFAOYSA-N 405.466 1.098 30 10 HDEE CC(C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1509702803 BTLGZILCYKOVBR-HXUWFJFHSA-N 401.515 1.559 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1517628331 PBHSEKVIDMDIJI-INIZCTEOSA-N 418.523 1.227 30 10 HDEE COc1ccncc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1518540169 DARBQGWWLABQPO-STQMWFEESA-N 407.500 1.079 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1521481468 ARXSTQSXKFTDMQ-CVEARBPZSA-N 400.884 1.434 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)C1=O 1526581553 XGJAZOGTLZGSKY-KBPBESRZSA-N 409.446 1.682 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)nn1C 1526701377 CDXGHTDEGGVGLD-GOSISDBHSA-N 418.816 1.798 30 10 HDEE CC(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1536179693 LOUBSRXANONUCH-DOXZYTNZSA-N 413.540 1.713 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)c4nccnc4c3)C[C@H]1CS(=O)(=O)C2 1536179893 NPFMTFAOMKNNCH-ZBEGNZNMSA-N 421.276 1.403 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1538975585 AGQSOCIKCQCNAM-WFXMLNOXSA-N 405.543 1.497 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1539123643 AJVFGHYRCSVRHC-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC1(O)CCOCC1 1539155041 QRFWJPMYBVWIGI-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(CC)s1 1539176154 JNZVREBOVLBYIF-UHFFFAOYSA-N 423.550 1.984 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CC1CCN(C(=O)OC)CC1 1539271824 MIGBNLAHWKCDJK-UHFFFAOYSA-N 406.490 1.815 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1539467205 OPXFKGIQUGHEKL-UHFFFAOYSA-N 408.506 1.515 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2COc3ccccc3O2)n1CCS(C)(=O)=O 1539557188 MMGIYOYJXLZBPF-FXAWDEMLSA-N 416.503 1.827 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC[C@H](C(N)=O)C1 1540866572 RVMXWDVWSXJTII-LBPRGKRZSA-N 420.876 1.742 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1540871683 QULPWHIJJWEGAZ-IRXDYDNUSA-N 418.542 1.073 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC(C)(C)O1 1544755999 PNCRCHNGLOMZPY-OAHLLOKOSA-N 407.482 1.897 30 10 HDEE COC[C@]1(C(=O)N2CCN([C@H](C#N)C(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 1546286697 NXTWLHBTOSQEQD-UTKZUKDTSA-N 424.542 1.331 30 10 HDEE CN(C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCO[C@@H](C#N)C1 1552870953 IFFHMFYUBMLTEU-HNNXBMFYSA-N 404.902 1.905 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1554600730 FKQHFIZNBUNHRB-AEFFLSMTSA-N 411.510 1.800 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1nnc2n1CCC2 1555557996 IZRRGKRGYVBGLI-OAHLLOKOSA-N 400.487 1.125 30 10 HDEE COCCOCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1555723531 AQKVAKQLNNCXEP-OAHLLOKOSA-N 405.430 1.388 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CCO1 1555993395 NUMOSYHCAZOXPW-SJORKVTESA-N 414.441 1.566 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCCN2CCOCC2)CCO1 1555994564 IVKBNRHDQUZSFV-LJQANCHMSA-N 411.510 1.105 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CCCN(Cc4ncon4)C3)cc2C1=O 1556565270 KJYIRMTYHNBXBQ-AWEZNQCLSA-N 409.446 1.494 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1557385452 DPHJBSNEZBOCON-LNLFQRSKSA-N 408.376 1.861 30 10 HDEE Cc1nnc(CN(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1557629218 BTZNXVKZSKXSAX-AWEZNQCLSA-N 421.548 1.958 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558543634 WMLBWAMTWJHHMI-DYVFJYSZSA-N 402.882 1.986 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2cc(Br)cc(F)c2F)c(=O)n1CCO 1559456450 DEYHDMKCCLVBSR-UHFFFAOYSA-N 400.179 1.271 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN(CCO)CCN3CCOCC3)c2C#N)C1 1559584191 DQTYSBIVUVPHAR-INIZCTEOSA-N 420.579 1.700 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCc3nnnn3CC2)cc1 1562197040 CDSZDLUURARAJD-CQSZACIVSA-N 405.484 1.006 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(F)CCN(C(=O)OC(C)(C)C)CC2)CC1 1565590106 MWXWLLZZWPHBNQ-UHFFFAOYSA-N 424.517 1.009 30 10 HDEE COc1cc(N2C[C@@H](C(=O)NCc3ccnc(C#N)c3)CC2=O)cc(OC)c1OC 1568546883 SIZLTBNDRNXIDX-AWEZNQCLSA-N 410.430 1.648 30 10 HDEE Cc1oc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1S(N)(=O)=O 1583224334 BVJSXMDMTAXUJT-UHFFFAOYSA-N 402.476 1.502 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1584579307 QWILIOCSJVGESU-QGZVFWFLSA-N 420.554 1.831 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2ccc(C#C)nc2)CC1 1585675505 VHYJEEZNBUUEBV-TWGBQZSLSA-N 403.482 1.553 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 1586849962 SHWFQBGSBJYLKS-GFCCVEGCSA-N 401.510 1.318 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1586898929 MZQHGLZKWWPIMV-VLIAUNLRSA-N 406.483 1.130 30 10 HDEE COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1C#N 1587744502 UMPQGHUCTKYQIM-UHFFFAOYSA-N 417.491 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCS(=O)(=O)CC1CC1 1588228435 GGNOXOXGBZPRBG-SFHVURJKSA-N 404.536 1.807 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1589069362 KDZGTJDVEGFTNE-JKSUJKDBSA-N 404.540 1.095 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594727188 LMLKKOYUTJEBBK-IRXDYDNUSA-N 416.526 1.905 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595556154 PLKDMYMDSSAEPW-KRWDZBQOSA-N 417.535 1.103 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595602857 SRHKLBXSEROGSW-DYESRHJHSA-N 403.527 1.857 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCOC2=O)cc1 1596925816 UXYZXQGVZBKIMG-CAPFRKAQSA-N 408.480 1.670 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1597132505 LCCUFZFJIGABIA-UHFFFAOYSA-N 410.492 1.428 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1597444456 CSQBTPQPQSVDBU-XCVCLJGOSA-N 421.406 1.411 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1598034029 AYQAXQHJDZYXDW-ZDUSSCGKSA-N 409.446 1.640 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1598388346 RZBYZFFQWSUVQV-CYBMUJFWSA-N 412.899 1.010 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(Cc4cccc(F)c4)C3)C[C@H]1CS(=O)(=O)C2 1598567607 MTKWQXLNJVJBLR-ABSDTBQOSA-N 405.495 1.434 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)C1CCN(c2ccc3nnnn3n2)CC1 1610926496 NDXZOXQQXFTWOU-UHFFFAOYSA-N 404.478 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCCN(c3ccccc3C#N)CC2)C1 1611468388 BGMVOXVSERSESF-UHFFFAOYSA-N 400.479 1.579 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(F)c2N)CC1 1615209401 PMJKHQMHHFNEOA-UHFFFAOYSA-N 411.275 1.068 30 10 HDEE C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)Cn1cc(C#N)c(O)nc1=O 1622175738 ABYLYQSOWQAPED-SECBINFHSA-N 409.215 1.470 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)nn1 1622441623 UBMILNKVXNOYNL-UHFFFAOYSA-N 405.480 1.295 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)nn2[C@@H]2C[C@H]3CC[C@H]2C3)CC1 1623300018 RDNBBDXBVHZMKL-YESZJQIVSA-N 420.539 1.170 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)c3c(Br)nc4n3CCOC4)C2)cc1 1624810190 VQVNOVBNDTYMDT-UHFFFAOYSA-N 403.236 1.951 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1625082879 VSKZKCYHZMMDPI-NXEZZACHSA-N 407.901 1.051 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1625799830 AKUYUTWCSBUBIE-MRXNPFEDSA-N 415.494 1.735 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1626520040 ZULCCIZAAOCFOX-UHFFFAOYSA-N 419.482 1.754 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(NC(=O)C(C)C)cc1)c1cc[nH]n1 1629796199 MCPKNMFPWFAPEL-UHFFFAOYSA-N 415.450 1.604 30 10 HDEE COC(=O)CCSCc1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1 1633164704 PPMZMFVEGQNNPR-UHFFFAOYSA-N 402.432 1.256 30 10 HDEE C=C[C@](C)(O)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634740951 GBQHLUYVKAMAOZ-BBRMVZONSA-N 417.325 1.655 30 10 HDEE C=CCCC[C@@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OC 1634884936 OKAOQYNJMZNIJZ-MRXNPFEDSA-N 421.519 1.862 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1636792773 WAGJVOKLCKHGPK-OGHNNQOOSA-N 406.932 1.915 30 10 HDEE C=CCC[C@H](NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(=O)OCC 1636821880 IWWKVJZRCSSOCN-AWEZNQCLSA-N 417.524 1.537 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1)C(=O)OC(C)(C)C 1637609746 UDNXRTWGDWSYMC-FGTMMUONSA-N 421.538 1.515 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1637759031 YJPRJAAZXYQKDR-HZPDHXFCSA-N 414.911 1.506 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)C1 1638075499 QRWIXWYBTVFOJB-FUHWJXTLSA-N 418.519 1.660 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1cc2ccccc2n1CC#N 1642211108 DKTDMJYTNMYCQA-GUYCJALGSA-N 414.487 1.748 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@](COC)(C(=O)OCC)C2)c1 1642838432 SNVNVIFOEWIRMS-OAQYLSRUSA-N 401.463 1.608 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(C#N)s2)C1 1643089679 LJDXNTWXDODRDW-ZDUSSCGKSA-N 407.521 1.677 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1643241168 GFCUJWKPZIIRQH-LSDHHAIUSA-N 408.499 1.063 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1 1643938696 BULKVEDPOORQFK-UHFFFAOYSA-N 408.237 1.961 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 1645772188 SSTVGBZSXQIBKU-UHFFFAOYSA-N 417.325 1.948 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1647972334 QAZSDWHBPFSUSS-UHFFFAOYSA-N 421.500 1.718 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)C1=O 1652243650 BEZFAGVXFRXXSL-RYUDHWBXSA-N 406.405 1.710 30 10 HDEE CCN(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1652995421 IMZOWNWJXBDWLV-UHFFFAOYSA-N 412.446 1.276 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCCN(C(=O)CNC(C)=O)CC1 1654469039 KZOVUNXPYZSYCV-INIZCTEOSA-N 406.552 1.322 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)N(CCCCC)c1c(O)nc(=O)n(CCCC)c1N 1654691047 CBNGXUWCGBTDQJ-MRXNPFEDSA-N 419.526 1.188 30 10 HDEE C=CCC1(O)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1655634718 YVWBNWUKFKCGBV-FQEVSTJZSA-N 400.498 1.938 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC 1660940020 KDFVLXMPANIUTD-DLBZAZTESA-N 405.513 1.388 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)[C@H]1CCCO1 1662895917 RBCQIQMNHDBVMI-HUUCEWRRSA-N 404.485 1.437 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@H]1CCCS(=O)(=O)C1 1669164776 UQDVJCOXFGRZFV-INIZCTEOSA-N 403.570 1.997 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cn(C)nc1Br)C(=O)OCC 1670888147 YZACYPMCLPUUFQ-QMMMGPOBSA-N 400.682 1.535 30 10 HDEE C=CCN(Cc1ccccc1F)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1675938814 PAONYKNSAFRVOA-UHFFFAOYSA-N 412.465 1.956 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H]3Cc4ccccc4NC3=O)C2=O)cc1 1681515108 FQLXHOHEFHZWLM-RTBURBONSA-N 403.442 1.916 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(C#N)CCCC3)CC2)cc1 1683570189 KZGRKBOTJKKPFZ-UHFFFAOYSA-N 406.508 1.795 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)n1 1685250935 QTUAYQGAARBHNP-BQIYRTECSA-N 418.494 1.175 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1689851276 OFXFZCXCTBEHQQ-FUHWJXTLSA-N 407.584 1.760 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1689888184 CHVVJAMJOLMOJV-UWJYYQICSA-N 411.510 1.518 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H](C(N)=O)C1 1689930606 VSHWALVPFKRPNH-SFHVURJKSA-N 422.537 1.567 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1c(O)nc2ccccc21 1689944220 MULGYASPILZKOI-UHFFFAOYSA-N 416.445 1.750 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCS(=O)(=O)C1 1690010060 UXOUSMNASGEVFU-GOSISDBHSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCO[C@@H]1C 1690028452 WWIGQEKCBVXEDN-IDVKNYFZSA-N 400.523 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)C(C)C 1690052628 NEEPIXLFSPXKRZ-UHFFFAOYSA-N 409.538 1.765 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC[C@H](OC)C(F)(F)F 1690099599 DMNZUPIWCRZQIE-AWEZNQCLSA-N 400.405 1.732 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)c2ccccc2F)CC1 1690110304 GHTJGLRLHSJJID-UHFFFAOYSA-N 412.513 1.900 30 10 HDEE C=CCCCCn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1690469712 ZBVPNTWLQBPXEY-OAHLLOKOSA-N 409.516 1.444 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1690673122 OTXQZBXYNRIBGW-AWEZNQCLSA-N 402.474 1.129 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC(NC(C)C)CC1 1690722596 OSTRMFJNVMADJI-UHFFFAOYSA-N 420.583 1.851 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCN(CC)[C@@H](C)C1 1690725555 URDDFMOXVIJBNO-KRWDZBQOSA-N 418.567 1.395 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1690984130 JRJRWUFZDXCAHO-IBGZPJMESA-N 412.494 1.729 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1CN1CCCC1=O 1696341267 HQBCZKJPSFXJGI-IBGZPJMESA-N 424.505 1.714 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696899019 FAZVSAPCLKTXBM-JKSUJKDBSA-N 401.515 1.078 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697027410 ASGINFLKURZSML-OHTQGHCMSA-N 416.482 1.317 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1698117791 LLNJWJQVZUEYPG-VQIMIIECSA-N 415.494 1.926 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1705485338 IAZWZOXRTFYBCH-OAHLLOKOSA-N 403.508 1.447 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1n[nH]c(C)n1 1705485968 TZEFKFDLDGBYNI-CYBMUJFWSA-N 403.454 1.048 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1705486382 CMKGZFXTXQVQKN-SCLBCKFNSA-N 408.911 1.606 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1705584648 SIRMBYNKHQKPHH-UHFFFAOYSA-N 410.425 1.385 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(F)cccc2F)CC1 1705638532 NLIDFWMQBWRQID-SFHVURJKSA-N 414.460 1.505 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCC[C@H]2C)CC1 1705639746 VPUVMZGPQGXJOV-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(C)C)CC2)CC1 1705648195 RNELNKNWXGYNQJ-QGZVFWFLSA-N 412.538 1.631 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(OC)cc2OC)CC1 1705650631 WGCOAZFDGYDQLS-UHFFFAOYSA-N 411.506 1.872 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H]2CCCCO2)CC1 1705652830 OXAFTCSYKZSIPF-SFHVURJKSA-N 403.527 1.740 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1705816906 WVEXINMQYXEMCZ-QGZVFWFLSA-N 419.555 1.649 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1ncc(Cl)n1C 1705901004 XFIYTHKOADYVND-UHFFFAOYSA-N 414.901 1.974 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)CC(C)(C)C1 1705927549 ANCDLYFZCAWCPM-OAHLLOKOSA-N 411.572 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOC[C@H]1C 1705938142 OBSFWAFGSLCMDP-QGZVFWFLSA-N 420.535 1.726 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccn(C)n1 1706077109 GCIQQBCNJXTYCM-CQSZACIVSA-N 412.523 1.842 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1Cc1ccc(C#N)o1 1706624946 AOYXGBQBKJUVBI-ZDUSSCGKSA-N 412.372 1.697 30 10 HDEE CON(C)c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1712657205 DTSDRFIUZVNJLW-GOSISDBHSA-N 411.510 1.757 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1722282106 WNOUSDTVTFJVII-VFNWGFHPSA-N 415.494 1.849 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1722364786 AZCFZYNARJTNLB-MRXNPFEDSA-N 421.567 1.020 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1722373117 JEMDEWJORZXHQK-HNNXBMFYSA-N 418.523 1.258 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1722436679 KQSZYNXIIAKQQY-RTBURBONSA-N 413.570 1.105 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1722704396 SHRGQSNUBWWJDY-UHFFFAOYSA-N 403.531 1.216 30 10 HDEE CC(C)(O)CCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1723034637 APZNCBWTIDKQLH-UHFFFAOYSA-N 406.450 1.431 30 10 HDEE CC(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723416691 HAEIFKAPPJMXCR-ROUUACIJSA-N 415.542 1.468 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)C[C@@H](C)C#N)CC1 1728604870 CUWCJSFLBRLMBO-RBUKOAKNSA-N 410.570 1.886 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1729487674 NOQZJBAMKGXUFH-IAGOWNOFSA-N 410.478 1.480 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCN2CCCCCC2=O)c1 1731179998 COAARPQJQYCRMQ-UHFFFAOYSA-N 421.505 1.546 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1740554300 XLVFYHDOCSXPNA-DZGCQCFKSA-N 409.537 1.179 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740590466 MACVWDLIMDFYHC-OAHLLOKOSA-N 400.483 1.106 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCC1 1740607239 JOLWNROBMBKUIY-UHFFFAOYSA-N 401.540 1.403 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCS(C)(=O)=O)CC1 1740691434 CWNSUQLULPIEFW-UHFFFAOYSA-N 415.563 1.697 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1740730801 IOEJBYFQJKPEFC-YLJYHZDGSA-N 406.552 1.989 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1740857223 HVASMAKNCZFIJT-HNNXBMFYSA-N 407.544 1.540 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1740888474 SSVCHKVFWHBKCL-MRXNPFEDSA-N 422.555 1.451 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@H](C)C1)C1CC1 1740911815 ZRBOTUQDRKTPCB-JZXOWHBKSA-N 402.543 1.883 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1CCN(C(C)=O)CC1 1740933232 KZRXVIQSWRGVRV-UHFFFAOYSA-N 400.527 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740955228 ZFIFIGKIZWARRY-HNNXBMFYSA-N 412.494 1.644 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1748779498 MJJRYNUKODDUSN-QFIPXVFZSA-N 413.522 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1748880294 QFBCBLKKFZCCSV-NRFANRHFSA-N 412.515 1.266 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCN2CC=CCC2)CC1 1748979457 ALFFRNZOMFCZGQ-UHFFFAOYSA-N 421.505 1.870 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2cnnn2C)CC1 1749000149 OSPDTIVCVHGPQK-UHFFFAOYSA-N 422.562 1.811 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)CC1 1749303256 GQCQJQMAUITDMT-AWEZNQCLSA-N 421.489 1.831 30 10 HDEE C=CCCOCCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 1749461590 SZQWHNKOGUBFMH-UHFFFAOYSA-N 406.575 1.815 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749634822 KHHZIQNJHFAVPO-CQSZACIVSA-N 410.569 1.585 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](c3nnc(C(C)C)o3)C2)nnc1C(C)(C)C 1749681462 BSVHWYPIXZHFQM-CQSZACIVSA-N 417.514 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@H](CC)C1 1749736647 NBQOSGMBWTYHBD-FUHWJXTLSA-N 419.551 1.868 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1750380204 MBAFMKPUZKJUCO-PELKAZGASA-N 407.194 1.659 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@@H]2CO)CCO1 1750386956 QIJGTXSPIAFWKU-IPMKNSEASA-N 418.542 1.138 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1751019058 SKRQGYDGHYOANB-NIKGAXFTSA-N 406.462 1.039 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cn[nH]c2)CCOC1 1751027531 WYULWRYFXCQGMX-QFBILLFUSA-N 401.471 1.013 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCOC1 1760245358 AJYYLDPKHWIVMX-JOCHJYFZSA-N 407.474 1.731 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760283517 PMQHBJGUJGIRFI-MRXNPFEDSA-N 416.576 1.853 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC)C1 1760334332 JBBSZLQDNYVBGT-CBZIJGRNSA-N 405.499 1.062 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3F)n2CC(=O)N2CCOCC2)C1 1760540570 KYIRQDVVQZPQSL-MRXNPFEDSA-N 415.469 1.724 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](COCC)C1 1760555213 ACRCYDAYBRJJPQ-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE CC(C)Cc1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1761034398 KVIXZFLPELOYCV-VXPUYCOJSA-N 415.542 1.533 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1763221049 BWQFBFZCKJEXSI-RTBURBONSA-N 422.489 1.789 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1764078365 QRXCKRRACFYZBO-SPLOXXLWSA-N 415.542 1.803 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1766870048 GMEMWFFXMNANBD-QGZVFWFLSA-N 418.505 1.707 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC2(CS(C)(=O)=O)CC2)cn1 1767448956 GNEVMBGMEHSOMZ-UHFFFAOYSA-N 417.539 1.633 30 10 HDEE Cn1nnc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@](C)(C#N)C2)n1 1769086765 AYAJJCCMOYHNIA-LJQANCHMSA-N 411.445 1.698 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1769996251 WEAMDKUBUFSYIC-MBOZVWFJSA-N 424.521 1.412 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1771055866 DAIPADNHBUOOIR-NRFANRHFSA-N 410.478 1.624 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CO2)C1 1772787750 QRBHNWYRBLSGRJ-GFCCVEGCSA-N 402.403 1.767 30 10 HDEE CC(=O)N1CCC[C@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3[nH][nH]cc3C#N)c2C)C1 1849945394 JWQDAJOQNXQPKL-LBPRGKRZSA-N 423.399 1.738 30 10 HDEE C[C@H]1Oc2ccccc2N(CC(=O)NCC#CCN2CCc3ccccc3C2)C1=O 1850526706 VQZNSBRJAYNTNW-GOSISDBHSA-N 403.482 1.978 30 10 HDEE Cc1nn(CC(=O)O[C@@H]2CCc3cc(C#N)ccc32)c(C)c1S(=O)(=O)N(C)C 1851525351 HVZRBKBSPPNHEW-QGZVFWFLSA-N 402.476 1.853 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1851537349 JDGBKKVMMRMQRQ-INIZCTEOSA-N 416.613 1.389 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)CC1 1851573428 ZXCPLTVPKNLLFQ-QGZVFWFLSA-N 418.453 1.989 30 10 HDEE COC(=O)c1nc(Br)c[nH]c1=NC(=O)c1nc(C2CC2)ccc1C#N 1852480173 MMXLBFKYTXTDQR-UHFFFAOYSA-N 402.208 1.844 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)C2CCCCC2)CC1 1853410479 GAGZHHAFVIDDMF-UHFFFAOYSA-N 413.540 1.784 30 10 HDEE Cc1c(CN(C(=O)c2ccc(C#N)cc2)[C@@H]2CCc3nn(C)c(=O)cc3C2)cnn1C 1853422563 FSMZKSYIHXOTQC-HXUWFJFHSA-N 416.485 1.894 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C(=O)C2)C1 1853741256 LAVDRFIDUPAHRY-QFBILLFUSA-N 414.481 1.110 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ncn3c2CCCC3)C1=O 1854082832 WIDWBQSFMBIVQU-ROUUACIJSA-N 413.522 1.459 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCC(=O)c2cccc(C)c2)C1=O 1854166296 AXEHADCEULBGQM-RBUKOAKNSA-N 411.502 1.804 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1854693963 LRALOFVHYLGKQP-SECBINFHSA-N 423.800 1.885 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nccc4ccccc34)[C@H](C)C2=O)CC1=O 1854888960 VEBJDIPFRUXFQU-SJLPKXTDSA-N 406.486 1.829 30 10 HDEE Cn1cnnc1CN1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856034312 PEBFEZZODLYVJM-LJQANCHMSA-N 406.490 1.517 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(C[C@H]1C(=O)N1CCN(CCC#N)CC1=O)CC2(F)F 1856035711 ULTYPSJOKZRJOL-UGSOOPFHSA-N 412.437 1.606 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(OC)cc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857236397 FRZXXXPRRKODLQ-KXBFYZLASA-N 415.490 1.411 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@H]1CCN(C)C1=O 1857263025 BQKPVVVQLDOSRB-KDOFPFPSSA-N 405.445 1.601 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1857491203 ZLGWPLWQPZTHFZ-RBUKOAKNSA-N 419.547 1.865 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1 1858415484 FMWSQOWGFYWTTB-CQSZACIVSA-N 410.455 1.702 30 10 HDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccncc2)cc1 1859013817 PHKBHTQUDYKGOB-UHFFFAOYSA-N 403.460 1.584 30 10 HDEE C=CCn1cc(OCC(=O)OC(C)C)c(=O)cc1CN1CCN(C(=O)OCC)CC1 1870477920 GQOJTYFAPNWLIG-UHFFFAOYSA-N 421.494 1.639 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc2nc[nH]c2c1 1871260380 IUKQVELVPNNHKG-UHFFFAOYSA-N 411.462 1.400 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NCCCO)ncnc21 1875229177 RTDHUAZMXALMHG-UHFFFAOYSA-N 416.482 1.326 30 10 HDEE CN(CC1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)CC1)c1ncccc1C#N 1890156076 NYWBOMBXVSKWIG-KRWDZBQOSA-N 424.530 1.922 30 10 HDEE C[C@H](C#CC(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1901976353 NQSNHBXPCXIGNL-ZHRRBRCNSA-N 415.490 1.749 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985100078 CSEYSHSZAKNTQE-HNNXBMFYSA-N 411.352 1.992 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1ncc(Br)n1 2010386243 YNOCCWNQRJDEAE-NSHDSACASA-N 400.277 1.464 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(C)C[C@H](OC(=O)C(=CCO)CO)[C@@H]12 2053541004 XYPJAWWDSQFSQA-IYWMVGAKSA-N 420.458 1.525 30 10 HDEE C#CCC(C)(C)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2173474986 YCGCGMZVSFKAHH-MHZLTWQESA-N 400.545 1.975 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247821212 WVFZNUKWQIBHML-STQMWFEESA-N 420.319 1.885 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161116 YDJDDOOVUCBDNW-IAGOWNOFSA-N 408.476 1.272 30 10 HDEE C[C@H]1C[C@@H](N)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707151 LWHZUANWJJMQOQ-VHSXEESVSA-N 406.766 1.811 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044717 REEJZJMRJLOGTO-DZGCQCFKSA-N 405.304 1.333 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](CN)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327955 QBKIINRXXUZNSB-STQMWFEESA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CO)C2CCCC2)OC1(C)C 2282330141 VREYUPHSLBCGGM-CQSZACIVSA-N 401.359 1.877 30 10 HDEE COC[C@@]1(F)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282333372 NMQJHUWIVXMQNO-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)[S@@](C)=O 2282333473 PCRMUWXGTSDVCI-ZJWNCGCPSA-N 401.359 1.421 30 10 HDEE CCCNC(=O)CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335408 PFRPTACWXFTNLK-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCC1 2282336856 CFMASCUTMWMKQU-RUZDIDTESA-N 419.399 1.627 30 10 HDEE C[C@H]1CNC[C@@H](C)[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345965 SGURBNOAQUGWTB-IMRBUKKESA-N 400.375 1.570 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCCC[C@@H](N)C3)c2)OC1(C)C 2282346503 WQDVBTXWZSQYMW-CQSZACIVSA-N 400.375 1.939 30 10 HDEE CN1CC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282411026 ZTHDRGCHQIPZOO-CYBMUJFWSA-N 400.737 1.622 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282492350 OPSXEECEQYNWIJ-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C[C@H]1CO[C@H](C)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282492647 PVRXAENQXKKPPR-NWDGAFQWSA-N 402.347 1.381 30 10 HDEE CCNC(=O)CN(CC)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497700 UFCHCUGPRLQWBH-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2282687010 ZLMUXTIJKJEFII-WMLDXEAASA-N 402.300 1.994 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](CN)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282830857 ANAAOKFLQUUTAX-STQMWFEESA-N 400.375 1.714 30 10 HDEE COC[C@H](C)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837033 RPCJEWVMDRRXDM-GFCCVEGCSA-N 404.363 1.486 30 10 HDEE CC(C)[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848096 IZAXUYRVRDNVQC-WFASDCNBSA-N 401.359 1.827 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H]2CC(=O)O)OC1(C)C 2284410414 BOVMIOJXHJRISP-NSHDSACASA-N 401.315 1.675 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284415201 WKDVAPRDRJNFNN-NSHDSACASA-N 403.331 1.887 30 10 HDEE NC(=NO)c1nc(Cn2cnc3c(I)ncnc32)cs1 2286747636 NGZCWJDEXABVOV-UHFFFAOYSA-N 401.193 1.030 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2290390131 MTNHVASVMNCRGU-JTQLQIEISA-N 404.319 1.070 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccn(Cc2ccccc2)n1 2315528730 LYRHVLRPXLKQAZ-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(C[C@@H](O)C#CC2(S(C)(=O)=O)CC2)cs1 2342032310 JXUVTRLLFQAIMH-ZDUSSCGKSA-N 400.522 1.652 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](O)[C@H]3C4)cc2Cl)OC1(C)C 2359283011 ZYMHBQIQOAHWCB-WCQGTBRESA-N 419.761 1.845 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365207197 MBQZTHWUURPVBU-DOXZYTNZSA-N 402.557 1.538 30 10 HDEE CCCN[C@H](C#CC1[C@@H]2COC[C@@H]12)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2367292001 WIYCDDOWXNECKJ-MWDXBVQZSA-N 400.541 1.188 30 10 HDEE O=C(O)CO[C@H](C#CC1[C@@H]2COC[C@@H]12)c1ncc(I)s1 2367574532 WATBPNHEVJSMPK-LPEHRKFASA-N 405.213 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792963 AJALPINANYDLRW-UONOGXRCSA-N 401.481 1.436 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@H](NC(=O)OC(C)(C)C)C(C)C 2367814471 BEEQKPWHTFMBTR-RKVPGOIHSA-N 402.557 1.455 30 10 HDEE Cc1nnc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)s1 20915855 XAASQDCJFCQWEN-OMCISZLKSA-N 405.469 1.034 30 10 HDEE Cc1nnsc1C(=O)N1CCC(CNC(=O)C(=O)Nc2ccccc2C#N)CC1 43942171 YJQFDKRVUNXAFT-UHFFFAOYSA-N 412.475 1.325 30 10 HDEE C=CCOc1cccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCC(C)C)c1 66064577 ZIVKMGWEPKQVKX-GOSISDBHSA-N 403.479 1.580 30 10 HDEE CCCOc1ccc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc1[N+](=O)[O-] 169883645 MLAKWILTDUFOFT-MFOYZWKCSA-N 407.408 1.523 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@@H]12 299806810 UZTYOOVAPGOQDZ-RMZZHJFNSA-N 420.458 1.762 30 10 HDEE in-vitro CC(C)Cn1ccnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1=O 301932944 PSJCXVMPYFMJNR-UHFFFAOYSA-N 401.492 1.282 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H](Oc1ccccc1C#N)C(C)C 439922179 PMWYRFQEUMALBO-SIZVQLJJSA-N 414.458 1.913 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)C4CC4)CC3)cc2C1=O 440898505 XQWVUMZYDKFJAD-UHFFFAOYSA-N 417.487 1.155 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2Cl)CC1 462450333 JDMQTFVKSFRDGS-UHFFFAOYSA-N 422.334 1.611 30 10 HDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)NCCOc2ccc(C#N)cc2)c1 465840409 GXJAPKWSGJVYGN-CQSZACIVSA-N 402.476 1.906 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 510275046 RLQRQSRXMNILGZ-INIZCTEOSA-N 406.508 1.393 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)NCCCC)cc2C1=O 520989566 QRAKIIYJLAIHGQ-INIZCTEOSA-N 401.488 1.900 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)C1 523610115 ZNAXHOFNYAZSIN-WBVHZDCISA-N 401.463 1.586 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 545463354 WJIIZPNASRYCCK-IBGZPJMESA-N 420.452 1.520 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Br)c(C(=O)OC)c2)C1=O 548052032 KUPIMKZCHUJEOF-UHFFFAOYSA-N 424.207 1.151 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 549271588 LMUJUBXHVJUVCA-AWEZNQCLSA-N 417.432 1.837 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1 549646272 CQTDDPACICUNOM-SFHVURJKSA-N 419.551 1.866 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 549790279 SFPNWECWWZARFJ-YJBOKZPZSA-N 401.463 1.579 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCN(c3ccccc3F)CC2)cc1 555104362 WGMOYUSJWRJMLO-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCCCN2CCOCC2)cc1 580177733 LCLAXZMSBYAMQG-SFHVURJKSA-N 402.520 1.901 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 581340831 QADBFTFJHMSKCF-OAHLLOKOSA-N 414.491 1.169 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCc2ccn(-c3ccc(F)cc3)n2)c(F)c1 586860220 XIOSFBALZNJABK-UHFFFAOYSA-N 409.396 1.997 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](n4ccnc4)C3)C2=O)cc1 588865638 BXXLSXMHZGDEFB-RTBURBONSA-N 420.473 1.230 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)ccc1C#N 589611862 IIXBNGZPHRWYQU-UHFFFAOYSA-N 402.476 1.962 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 609444440 FLXMMJWXUWGFCV-IBGZPJMESA-N 413.499 1.289 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3C[C@@H](O)C[C@@H](O)C3)cc2Cl)cc1 610606458 BKTSPWPNRICYHD-GASCZTMLSA-N 415.833 1.897 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN1CCCS1(=O)=O 610614722 BBUGYTITKLHGPV-OAHLLOKOSA-N 410.565 1.987 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)CC2)nc1 618813081 RWOYRHLZKZBOEJ-OHEKKUKSSA-N 419.529 1.730 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H]4CN(C)C[C@H]43)nnc12 646911594 BXKHOSSIBCNZQA-WMLDXEAASA-N 424.530 1.485 30 10 HDEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731862304 CFQOQKWWKZXKDL-UBZKEQBWSA-N 412.490 1.782 30 10 HDEE CC1CCN(c2ccc(CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cn2)CC1 732443607 AJAXTFKJSHRQFX-VXPUYCOJSA-N 412.494 1.644 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)CCN1C1CC1 732648726 XKZRUGOXAHHTMI-IAGOWNOFSA-N 408.458 1.274 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C)cc1 734921328 NMLORSMPSYSNMD-XLIONFOSSA-N 412.446 1.414 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCN1C1CC1 736018108 FXGZLSPVKUWYND-HNNXBMFYSA-N 408.911 1.692 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(C(=O)OCC)CC3)ccc2c1=O 740747466 DHZKOFNTDUKMAG-UHFFFAOYSA-N 417.487 1.401 30 10 HDEE C[C@H](C#N)CNC(=O)C[C@@]1(C(=O)NC[C@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 742253087 IAXXKISSBVEAEI-SXGZJXTBSA-N 405.499 1.555 30 10 HDEE COc1cc(OC)c(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 746236847 DIGNWVWGHJUSME-FMQUCBEESA-N 403.435 1.288 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)cn1 749868154 FKONHXUTBUYUKP-CQSZACIVSA-N 412.515 1.035 30 10 HDEE CO[C@H](C)c1noc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)n1 750031307 OXFTWRCSYWTLMP-CYBMUJFWSA-N 420.495 1.008 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 756660115 SUVXZGMZXMADKB-LLVKDONJSA-N 403.298 1.557 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CCc2nc(-c3ccncc3)no2)C1 756879794 BLENMIORFPNMKO-LSDHHAIUSA-N 412.450 1.939 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@H]2CCN(c3ccccc3)C2=O)C1 758481502 UBKVQZVIMBBXLA-BHYGNILZSA-N 413.478 1.850 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)CCCCC1 760388981 UDXAUPPUZBBOLB-HNNXBMFYSA-N 404.492 1.350 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 763707754 XUTVHHUVNRJPQW-OAQYLSRUSA-N 415.413 1.545 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2ccsc2)cc1 769557172 VQDFBXPEBSTPGR-PGMHBOJBSA-N 420.516 1.929 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)CC1 770109525 GPWIVOWBZBZPPT-LPRCSBTHSA-N 415.556 1.813 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771536303 FQXYVFWNTGQDKD-HNNXBMFYSA-N 413.507 1.361 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1)[C@H]1CCS(=O)(=O)C1 774214049 SEMUVBLBIFEDOM-SFHVURJKSA-N 422.551 1.335 30 10 HDEE O=C(O)C[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1F 776659205 YYJCTZSLJALXFN-CQSZACIVSA-N 423.397 1.336 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(Cc2ccco2)CC1 780181314 XOBJTKRDILCANG-NRFANRHFSA-N 419.478 1.729 30 10 HDEE C#CCN(C(=O)CCCOc1ccc2c(c1)NC(=O)CC2)[C@@H]1CCS(=O)(=O)C1 783359814 ZJCXUDHIQMRTGW-MRXNPFEDSA-N 404.488 1.379 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CNC(=O)OC(C)(C)C)c2)CC1 786709310 GFWYRKLXJXECBR-UHFFFAOYSA-N 416.522 1.771 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 787973318 MXFKNDYZGFYHRZ-NSHDSACASA-N 405.407 1.789 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(Cn3cncn3)cc2)n1 788855673 WFRBHTHZGQMUAW-UHFFFAOYSA-N 407.478 1.514 30 10 HDEE C[C@H](CC(=O)N1CC(C)(C)O[C@]2(CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 794311635 FCQPMNGYAAHGMP-JLTOFOAXSA-N 421.519 1.300 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(COC)(C(=O)OCC)CC2)c1 794336997 MHQSWHGXPBGHDV-UHFFFAOYSA-N 422.503 1.030 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NS(=O)(=O)N2CCC2)c1 795299984 ORROHIMZPVFEKN-VLGSPTGOSA-N 400.526 1.642 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)c1 796551138 SODAHDUDBKDMOH-MSOLQXFVSA-N 421.519 1.702 30 10 HDEE CC(=NNc1nccn(C)c1=O)c1ccc(Br)c(S(N)(=O)=O)c1 797401726 NMPMODDQSOQMBU-UHFFFAOYSA-N 400.258 1.026 30 10 HDEE COC(=O)C1=C(COC(=O)[C@@H](C)n2cnc(C#N)n2)N(C)C(=O)N[C@H]1c1ccccc1 798745267 QNOYHSLJBPVCSC-PXAZEXFGSA-N 424.417 1.077 30 10 HDEE Cc1nc(C2(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CCCC2)no1 874768325 DHNZRPNHTRSCTL-UHFFFAOYSA-N 403.464 1.392 30 10 HDEE Cc1nccn1-c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cn1 918111870 ABRSSIDGJUZBGV-UHFFFAOYSA-N 402.462 1.874 30 10 HDEE N#CC1(CC(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCOCC1 1128737589 PRNISERGEPOPEB-SFHVURJKSA-N 417.481 1.670 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1133780779 PUWWFXYNTVQZIC-SANMLTNESA-N 407.473 1.417 30 10 HDEE C#CCC1(NC(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1133929916 SZQGACFJMAMOQJ-UHFFFAOYSA-N 420.531 1.572 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(O)cc3)CC2)c1 1135393095 ZFZDZJRHNZZDEK-UHFFFAOYSA-N 403.435 1.791 30 10 HDEE Nc1nc(CN2CCN(C(=O)c3cccc(C#CCO)c3)CC2)nc2ccccc12 1141365146 PQYNQYMKWHZEHO-UHFFFAOYSA-N 401.470 1.514 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1141496360 PQYLHZVKMHYUBV-AWEZNQCLSA-N 423.288 1.974 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(CC#N)CC2)C1 1147283701 PJIGUAZFQMCUAK-RXVVDRJESA-N 400.479 1.470 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@H]3CCCn4ncnc43)c(C#N)c2N)cc1 1148731577 FKXMLYKVXGRJOV-INIZCTEOSA-N 404.478 1.853 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCC(F)(F)C(F)F 1156948681 RTFASQMJHTZNCL-XGEHTFHBSA-N 404.282 1.989 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1157858183 NPIHDWHIWKOYOF-CVEARBPZSA-N 407.492 1.649 30 10 HDEE C=C[C@@H](CC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1)c1ccccc1 1158189932 QQZCVWMIXIUUFW-HNNXBMFYSA-N 410.478 1.639 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C)N(CC(F)(F)F)[C@H](C)C1)c1cc[nH]n1 1158452257 CPVNHHKEPPMVON-TXEJJXNPSA-N 419.404 1.177 30 10 HDEE C[C@@H]1[C@@H](NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)CCC[C@H]1C 1166615435 VQMIRLJIROKYCR-YCPHGPKFSA-N 418.494 1.164 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCO[C@](C)(C#N)C3)nn2)CC1 1179393889 MFBVBFXTEVLWRT-FOIQADDNSA-N 418.498 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](O)C1 1190999569 SYBNZQUMMJTARY-KBPBESRZSA-N 415.899 1.860 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1286387679 UAQJMEIQSHLWBJ-QGZVFWFLSA-N 411.487 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CCNc1nccc(C(F)(F)F)n1 1286415489 CSYPOAJGOITWOM-UHFFFAOYSA-N 407.400 1.808 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)NC(C)C 1286426054 HTXFFWYAMWIFGR-UHFFFAOYSA-N 414.535 1.439 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H]1OC 1286460888 KZRJRASNUWPJIG-IRXDYDNUSA-N 412.494 1.827 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1cccn1 1286465917 ULNWZIMNQLFREH-GOSISDBHSA-N 419.489 1.549 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cccs1 1286467358 OQTMLUQURJSIPD-HNNXBMFYSA-N 403.508 1.360 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(COC)CCOCC2)CC1 1286479484 GYPBIVCBSIWXFY-LJQANCHMSA-N 417.554 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(c2ccnn2C)CC1 1286819386 IXPKEEONENWDAR-UHFFFAOYSA-N 404.540 1.874 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286835175 SEHQQBQIUGZGMI-LJQANCHMSA-N 404.540 1.179 30 10 HDEE C[C@H](C(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2)n1cnc(C#N)n1 1287484856 LHSMDAKIHJQJGK-MRVPVSSYSA-N 410.253 1.442 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2nnnn2C)ccc1F 1288118700 BOBYELRHWOMEPF-UHFFFAOYSA-N 416.438 1.733 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c1 1289513410 NHEMHTQELUWUNQ-GOSISDBHSA-N 415.494 1.602 30 10 HDEE N#CCOc1cccc(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1291574376 FADMIMUQYMUSDQ-INIZCTEOSA-N 409.851 1.520 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1297977008 FKNBNDDHTNRCAG-OAHLLOKOSA-N 416.457 1.593 30 10 HDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1298462848 WOAWRKKINVIKIQ-UHFFFAOYSA-N 414.420 1.835 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CC1=O 1298892752 LLMMDWOGTNVZRK-SFHVURJKSA-N 424.505 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1300325325 XVILLHVCKINQBX-HTAPYJJXSA-N 413.522 1.780 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1300643164 PTUOYUFCBHFWQG-AWEZNQCLSA-N 421.498 1.192 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1300672301 XYSSITJLKMXFKR-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CSCCS2)CC1 1300703680 PJKDJNJYPMIEFW-SFHVURJKSA-N 414.604 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1300877783 ZSUOGXBJLIUSHH-RYRKJORJSA-N 423.477 1.635 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1301002415 ZENNNVAXRCDFHT-RBUKOAKNSA-N 405.543 1.881 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCS(=O)(=O)NC)CC1 1301096064 VHKHRORDXMTRCG-UHFFFAOYSA-N 421.523 1.571 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1301422401 KAGRBTUIHZZSHX-INIZCTEOSA-N 418.542 1.517 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1301508332 IILDVDUOXMONKX-QGZVFWFLSA-N 424.505 1.504 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCOCC2)CCO1 1303009113 FMMQLTGSSRJATG-LJQANCHMSA-N 424.505 1.041 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)COCCO1 1303066850 RVCIXLUBJVUCQV-NRFANRHFSA-N 418.542 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1304271952 PKUUTKPJSIXAOR-MQIIFCFKSA-N 423.535 1.586 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OCC)cc2F)n1 1309464464 IBSNUXGMHBTBGV-UHFFFAOYSA-N 423.466 1.669 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1314951224 OPOHVLPQVTWOGU-SZNDQCEHSA-N 409.494 1.113 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4cnc[nH]4)CC3)C2=O)cc1 1319437459 ZSCSEDOZSPQCFX-KRWDZBQOSA-N 406.446 1.893 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1323594253 BLCLMIAQFBKNHR-XWIAVFTESA-N 400.497 1.101 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(CC)CC(=O)Nc1ccc(N2CCOCC2)cc1 1355635244 JICAGNHKSJZUOZ-FQEVSTJZSA-N 416.522 1.781 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(C)=O 1358890921 XHUMQTQJCYNCRD-MRXNPFEDSA-N 410.526 1.436 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)NC 1358899538 PFRONIMKXHJJHL-AWEZNQCLSA-N 423.564 1.586 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358967775 RUSWYKSDVGMUQO-FRQCXROJSA-N 410.540 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N(C)C 1358985498 ABSUUGWXSHVESY-NRFANRHFSA-N 401.511 1.260 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](NC(=O)CC)C1 1359297072 DHDCLQKOFVKCCZ-OAHLLOKOSA-N 414.485 1.881 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359299307 BMUJBZRGNZZNSA-SJORKVTESA-N 418.542 1.359 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)[C@H]1CC 1359306966 WSJSYQXTHNUUSL-BFYDXBDKSA-N 418.542 1.214 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(C=C)CC2)nnc1[C@]1(OCC)CCOC1 1359335807 VNMRJBCFYUMLAI-FQEVSTJZSA-N 424.567 1.933 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1COCCO1 1359593116 CNPSGHGIKQLMGF-MWDXBVQZSA-N 405.499 1.341 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(=O)n(-c3ccccc3)c(O)nc2c1 1438599399 ABBWGQDGYGXSCT-UHFFFAOYSA-N 406.398 1.620 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N(C)C(=O)OCC)cc1)c1cc[nH]n1 1442030379 IEVFJHWOVALGDN-UHFFFAOYSA-N 417.422 1.925 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN(CC3CC3)C2)s1 1454128670 AWLKMVWOBFIPAM-INIZCTEOSA-N 411.593 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456613633 MPYYEAMGQUJKCI-YZVOILCLSA-N 411.524 1.563 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CCOCC1 1464031657 CBNMLJRGGREXHJ-SFHVURJKSA-N 423.491 1.153 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@@H](C)N1CCOCC1 1464974589 QZVKUBLXVJKLBP-ZNMZRNTJSA-N 420.554 1.999 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1470958721 FHXSLUNWBDYQEG-GFCCVEGCSA-N 413.425 1.777 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1471459918 FLKDYFPWVBPVHX-UHFFFAOYSA-N 406.556 1.640 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(CCn4cc([N+](=O)[O-])ccc4=O)CC3)n[nH]2)cc1 1473623804 VXZKITQHVZUPDM-UHFFFAOYSA-N 419.445 1.840 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(C2CCCC2)c1C 1473832510 KTGPOFKTPDCSBZ-QFIPXVFZSA-N 415.538 1.409 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C1CCOCC1 1475514709 KNXOSVXOQPICBS-OAHLLOKOSA-N 404.410 1.685 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1478577815 NVWRCOVHYDDMKM-UWVGGRQHSA-N 423.329 1.956 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)c(C#N)c2N)cc1 1479271109 IRJXCWYHQDUZDT-SYNHAJSKSA-N 424.505 1.670 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN1CCN(C(C)=O)CC1 1499247126 SNPJZFFNWAOXOQ-RTWAWAEBSA-N 421.549 1.748 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1505075094 WXCQPXWZWAVPIA-LRGYGIHKSA-N 416.526 1.610 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1507515933 AAMAOWSCZDORTL-DYESRHJHSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1CCS(=O)(=O)CC1 1507606166 CANYHGIZNGLLQN-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@H]1C 1507606380 KHWOQGGKUNZNDS-MRXNPFEDSA-N 401.536 1.902 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1 1507652844 JQHLUWXCHALKDK-KRWDZBQOSA-N 400.479 1.635 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(N(C)C)CCOCC1 1507710851 WFYHEBNWDVSJKI-UHFFFAOYSA-N 412.538 1.845 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(OC)C1CC1 1507764336 LGWGTIYJYYVEIO-ZMYBRWDISA-N 409.556 1.696 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CCOCC2)CC1 1508090675 OZCHTPZPBCYATP-SFHVURJKSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(CCc2cccs2)CC1 1508094703 JJVRETAQFQIXMC-UHFFFAOYSA-N 414.579 1.959 30 10 HDEE CCC(CC)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1513281329 HQTOUFCTRPKVNX-ROUUACIJSA-N 417.558 1.609 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N(C)c3cc(C#N)ccn3)cc2[N+](=O)[O-])CC1 1516839599 ZYFKAGCMBFZIAE-UHFFFAOYSA-N 408.418 1.807 30 10 HDEE COC[C@@H](F)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1518748765 JBVVESJVBLQWNU-WFASDCNBSA-N 402.430 1.301 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CCC1(O)CCOCC1 1519256431 DLGXCWJSGWCXLW-INIZCTEOSA-N 407.515 1.674 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1519277196 LWYIYPCZZQZLDR-JSNMRZPZSA-N 420.489 1.455 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CCO1 1521129181 ITJAUGCHEGRFSJ-HUUCEWRRSA-N 420.420 1.946 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1523689500 ZUHQICYZWNJTBE-KRWDZBQOSA-N 409.508 1.339 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 1524605601 BZPCRCOYNYHMLJ-UHFFFAOYSA-N 415.519 1.490 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CC)C1 1539072163 MGANQIBQLQCIHU-SJORKVTESA-N 409.556 1.651 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539079006 MWDCQYHNJWAFKD-GOSISDBHSA-N 418.567 1.957 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1539533830 VPKIQFWQANVXGF-JYJNAYRXSA-N 407.540 1.035 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)[C@H](C)CC 1539538155 DPBGKRCRMBGUQA-YYAJDYIMSA-N 411.572 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCC[C@@H]1C 1539538316 FQUBBXRFHROHLU-ILRDRHFLSA-N 409.556 1.432 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539752774 ZMGBAHDXFJWWQN-RBUKOAKNSA-N 410.522 1.914 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 1539968098 WOZULGZKAPQVEC-INIZCTEOSA-N 413.544 1.194 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1540370739 CJWAEFGZLPMNQI-GOSISDBHSA-N 402.495 1.478 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 1540533173 NCZUHXHOWCHIED-UHFFFAOYSA-N 402.516 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCCO[C@H](C)C1 1540867463 XBQLBPLQVIOHPA-OAHLLOKOSA-N 415.494 1.880 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCCN(S(C)(=O)=O)CC1 1542548629 AHYDVDJSRWCJOT-HNNXBMFYSA-N 416.544 1.458 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N[C@H](C#N)c2cccc(OC)c2OC)c1 1543063285 KUTGYRJQOBFPNS-CQSZACIVSA-N 405.432 1.593 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nnnn3CC2)c1 1543096172 FOQAFAURUFEVQB-PWNVGIJBSA-N 417.495 1.077 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](CO)Cc1ccc(OC)c(O)c1 1545529138 FMPGCOWTJGGSLL-IAGOWNOFSA-N 420.506 1.975 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1=O 1547693733 VEEIFMYVCFRGGJ-UHFFFAOYSA-N 409.494 1.402 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(C)(C)O 1554164905 BLWYZFLWCIPWOB-QGZVFWFLSA-N 417.535 1.849 30 10 HDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1554274322 LXHPAFHEVKBPAR-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(C)=O 1555741663 YGIDTTDYYYOHHN-IRXDYDNUSA-N 404.515 1.658 30 10 HDEE Cc1ccc(C(=O)Nc2ccccc2C[S@@](C)=O)cc1S(=O)(=O)NCC#N 1556136023 ULLQRUVENFKAOU-AREMUKBSSA-N 405.501 1.928 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1[C@H](C)C=C[C@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]21 1556466874 QCRQNIYFKFUKKM-FPCVCCKLSA-N 415.456 1.938 30 10 HDEE C#CC[C@H](NC(=O)CS(=O)(=O)Cc1cccc(Br)c1)C(=O)OC 1556970870 KUPQRCPYCHSULS-ZDUSSCGKSA-N 402.266 1.045 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCC3)CS(=O)(=O)[C@@H]2C1 1557066252 MBRCVXAUIMXTKR-RBSFLKMASA-N 411.524 1.467 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1 1557552186 ZMIYXDCFGAESOY-YCRPNKLZSA-N 420.510 1.835 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2ccc(F)cc2C#N)CC1 1561577255 BEUPMQUWPBKWBA-RUZDIDTESA-N 402.469 1.162 30 10 HDEE Cc1cn2c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c(C)nc2s1 1569542557 GRXZUWLTPCREQP-UHFFFAOYSA-N 403.489 1.479 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1570697656 YCAFDNNLUXPFQX-BEFAXECRSA-N 416.540 1.652 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1584489708 GXNRGMLIQLTAED-HNNXBMFYSA-N 412.439 1.306 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nn(-c2cccc(Cl)c2)cc1O 1585295258 BOAGESXCCKCGIX-ICFOKQHNSA-N 401.810 1.488 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2cccc(Oc3ccc(C#N)cn3)c2)c(=O)n(C)c1=O 1586719483 ADKVETRASDUQOK-FPLPWBNLSA-N 403.398 1.795 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCc1ccco1 1587568152 NQQFGKUYHNRCTB-YWZLYKJASA-N 401.467 1.298 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1588138589 GFVJYXNDUWKJES-GOSISDBHSA-N 403.552 1.129 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(CC)C2)CC1 1588968843 REBIDAQJBDVBPF-PKOBYXMFSA-N 414.554 1.437 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1589483251 NUIKDLIBOPULBZ-WBVHZDCISA-N 420.558 1.748 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1 1589579889 MNYOSOMTIYVQPS-BRWVUGGUSA-N 404.515 1.572 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCSCC2)CC1 1594096336 AUTPKPGPIGSVMU-INIZCTEOSA-N 411.597 1.385 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CCC 1595798903 VIKXYUGPRLJHGC-CABCVRRESA-N 418.585 1.406 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)n1 1617078458 AVEQZONLQTXUEG-UHFFFAOYSA-N 416.850 1.902 30 10 HDEE C#CCN1CCCN(C(=O)CCc2c(C)nc3nc(C(F)(F)F)nn3c2C)CC1 1618030219 YWDRQJLNBCQGBL-UHFFFAOYSA-N 408.428 1.860 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1618436778 NXDZSHKMQUGOKL-TXSJJRPESA-N 424.440 1.252 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1619677994 YFDXDXYAJNPZEI-KDURUIRLSA-N 424.461 1.849 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(C)COCCO1 1619987906 CQEIGMWVLCVWSY-OXQOHEQNSA-N 407.515 1.938 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)s1 1623991224 XVFRFLCGFDRSCZ-KRWDZBQOSA-N 421.500 1.618 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)NC)CC1 1628682750 NZRQCGWTVXHMJO-OAHLLOKOSA-N 403.545 1.776 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)cc1 1631001373 NEYGLHHTHYYSDG-HNNXBMFYSA-N 414.430 1.259 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)CC2)nc1 1633498812 PARGIPWGILRZEI-KGLIPLIRSA-N 401.410 1.882 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918795 NZBVVQBBEQBROX-RTWAWAEBSA-N 417.469 1.906 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1635422362 OWOOSXDQTVZIBP-UHFFFAOYSA-N 408.483 1.756 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C#N)c(OC)c2)s1 1636000734 BGCSIZUUSABQFY-UHFFFAOYSA-N 405.501 1.952 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[C@H]1CCCN2C 1637264801 GKLMEAMYFCSGHJ-RCCFBDPRSA-N 418.563 1.979 30 10 HDEE C=CC(C)(C)CCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 1638164863 PICZGKJNPHGTAA-IRXDYDNUSA-N 416.588 1.660 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCCOC3=O)CC2)c1 1639638595 ZOOWTSNMGAFKSA-UHFFFAOYSA-N 407.492 1.598 30 10 HDEE COc1c(C)[nH]cc(CN(C)C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1=O 1642655415 NBTFAAHLZAAQQH-UHFFFAOYSA-N 408.462 1.814 30 10 HDEE C[C@]1(c2ccccc2F)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1643679524 VXBJOMRPQPWANG-JOCHJYFZSA-N 405.385 1.892 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@@H](c3nn[nH]n3)C2)n(Cc2ccccc2)c1C 1644305039 GOQCFDGAWOIOKH-QGZVFWFLSA-N 404.478 1.966 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)cc1 1644347958 OJGOUNNDQGOJCC-UHFFFAOYSA-N 420.491 1.098 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1644857986 KPIGTSOZRNATQE-OAHLLOKOSA-N 420.372 1.300 30 10 HDEE COC(=O)[C@@]1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H](C)c2ccccc21 1653799508 XZLFBEMMHCKHGO-YEJXKQKISA-N 410.430 1.293 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)s1 1654811829 OMYIUNXJZPYGBH-UHFFFAOYSA-N 408.457 1.669 30 10 HDEE C#CCC1(NC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)CCOCC1 1657685397 VPCWODJWCTVPOR-UHFFFAOYSA-N 407.492 1.830 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OCc3ccccc3)nc2)CC1 1658101141 UNJGAQPQYMSRBL-UHFFFAOYSA-N 400.504 1.246 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NCC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1659390640 CUECDXDVWQAECG-MANSERQUSA-N 420.579 1.613 30 10 HDEE C=CCOC[C@@H](NC[C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)C(=O)OC 1659598422 HWZXIUKSIGGMIM-JKSUJKDBSA-N 413.515 1.084 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1659661401 AZJKTSOHLDKLNU-UHFFFAOYSA-N 407.492 1.026 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 1665159960 RUTLAQQWXACDHM-UHFFFAOYSA-N 403.254 1.896 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(CO)COCCN1C 1670845170 KAOYGZMAMKQERM-QGZVFWFLSA-N 414.300 1.829 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)C2=O)cc1 1681515014 FAAXBNQNCQWICQ-STQMWFEESA-N 420.338 1.911 30 10 HDEE C=CC[C@@H](CO)CNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1684430921 BUMQFJMQPPBRPB-HUUCEWRRSA-N 405.499 1.758 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1689851938 YAPQFTOIYALXCI-ZBFHGGJFSA-N 403.508 1.130 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1690174540 DZFVEBNCYNVAAP-KSZLIROESA-N 405.568 1.305 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690175096 PWWZMVPSKARYSZ-MSOLQXFVSA-N 405.568 1.307 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1690245467 IRONZOTVOQLHDF-MDZRGWNJSA-N 419.526 1.234 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CCC)C2)nnc1[C@@]1(OCC)CCOC1 1690678350 TXQAXEPCNSBVAG-OXJNMPFZSA-N 407.515 1.238 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)Oc1cccc(F)c1 1692707833 DAQZJEMPENITJZ-COXVUDFISA-N 414.441 1.565 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3C[C@H]3CC(F)(F)CO3)CC2)c1C#N 1693407384 WGNXFHKMWICRBN-CQSZACIVSA-N 406.441 1.251 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1693873830 CKDHAJYCFPMUND-NQYLQCIDSA-N 401.442 1.277 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695871552 HGRXKFDDIOZJQH-CEXWTWQISA-N 417.558 1.274 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCCOC)CC1 1705528980 ZDJOUNXWHLUZFI-UHFFFAOYSA-N 410.522 1.243 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H]1C(C)C 1705630087 GKOFDKGATXOATI-FXAWDEMLSA-N 403.527 1.548 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705658589 UGYRULWSVYAUSJ-MRXNPFEDSA-N 417.539 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1705673965 TXBPPIYWFRRWFR-YKNSSVCLSA-N 417.473 1.859 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705746994 CFJBZTUTCBZPSF-MJBXVCDLSA-N 403.936 1.504 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1705805777 OBDJQQPYNMTCSW-QKLQHJQFSA-N 424.567 1.921 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1705852250 XWWOYPKAAFQHJP-OXJNMPFZSA-N 424.567 1.908 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1706462601 GYQGFUAUQQVVPY-FQEVSTJZSA-N 405.547 1.249 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cnnn1C 1708524069 AGUSNHAQBMCCAT-OAHLLOKOSA-N 406.498 1.562 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1708620984 BRODGYSYUHFJKX-MAUKXSAKSA-N 407.478 1.850 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@H](C(=O)OC)C3)n2Cc2ccc(C#N)o2)CCOC1 1710447556 JAYYOJGIEDFFSY-JLTOFOAXSA-N 415.450 1.442 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C1 1712263797 FYRZDGNRDSIYBF-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1722292687 ALAJJJZFOXGQOY-NVXWUHKLSA-N 417.535 1.869 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722295536 LERGPXFUMCKWGO-SCTDSRPQSA-N 410.522 1.908 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722334294 DSZRVVQWYMEORJ-IBGZPJMESA-N 408.506 1.505 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](COC)OC 1722355228 RERMYVBTKFYITA-HOTGVXAUSA-N 423.514 1.317 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368300 POZMEXSTCZMORP-GOSISDBHSA-N 407.584 1.903 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)CC 1722422390 RFDDOJIQDMGLSV-KRWDZBQOSA-N 420.510 1.996 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCC(=O)N(C)C 1722423991 XHHFVPVNDVJJMK-UHFFFAOYSA-N 413.478 1.628 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2cccs2)CC1 1722439711 MUVRIXTVIWKICQ-JOCHJYFZSA-N 422.558 1.988 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCCO)CC1 1722441909 UMHCIQIEOVZNCN-UHFFFAOYSA-N 416.551 1.187 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1722444890 HTNCSCLECOONQB-UHFFFAOYSA-N 417.473 1.762 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722534421 MRFZAIQBLBSQPA-OXQOHEQNSA-N 400.483 1.712 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722558310 KHSVULYOCWUCBB-KDOFPFPSSA-N 411.890 1.712 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1noc2c1CCCC2 1722680368 JEUFTMHBCXMVNK-UHFFFAOYSA-N 414.510 1.954 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1722698068 TXTXKYLIPJQTCP-JOCHJYFZSA-N 422.464 1.879 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(C)c1C 1729033820 NFMDAITWSANZDD-UHFFFAOYSA-N 408.466 1.440 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1729648536 NQRFELYSEOROJH-HXUWFJFHSA-N 410.478 1.216 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1740598102 DVFOIGZEZYTKGK-UHFFFAOYSA-N 402.499 1.450 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1740608699 DEIYTXYSCKKTSX-ZWKOTPCHSA-N 402.520 1.507 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OCC)C(C)C 1740640483 OBXZQQYYDXEGJK-MSOLQXFVSA-N 406.552 1.704 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cnccc2OC)CC1 1740704483 OUJRNQHLMPKVQZ-UHFFFAOYSA-N 419.489 1.691 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)CC)CC1 1740707372 ZQEGRWBGNRNUDN-QFIPXVFZSA-N 410.522 1.391 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1740949884 WJHUBUMZAQYWAB-HZPDHXFCSA-N 411.572 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@@H]1C 1740990323 QSGANRWBNPGSLN-KBPBESRZSA-N 421.523 1.841 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@H]1C 1741127698 GYDGUZXMRTZJLT-LRAJWGHMSA-N 413.478 1.852 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)CN(C)C1=O 1741132320 HCAPZUDZWTYTEK-YCRPNKLZSA-N 406.494 1.591 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1741983524 CDXBPRUDKPVNJV-HNAYVOBHSA-N 400.508 1.905 30 10 HDEE CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1745686390 HEBYYGMBUINYEA-MSOLQXFVSA-N 420.583 1.652 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1747407407 QONDJLPXIKETTH-AWEZNQCLSA-N 407.496 1.556 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)C1 1748049931 FZTYOBALXBBUOS-KUHUBIRLSA-N 420.876 1.533 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1748925930 PIKZVCQNJZHTEM-UHFFFAOYSA-N 420.525 1.581 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1748934617 BIZLTRFJAHSFKY-UHFFFAOYSA-N 424.505 1.386 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(SC)CCOCC1 1748959057 MEWJCPLDPUNRJP-UHFFFAOYSA-N 402.524 1.733 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749272517 UAMVNQGRCWLODZ-OAHLLOKOSA-N 415.885 1.489 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1749393026 IBZRMAYJPQVLSG-UHFFFAOYSA-N 421.509 1.946 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC)C1CC1 1749508304 NQGVKQZDOHVOTF-CYBMUJFWSA-N 406.512 1.495 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](C2CCOCC2)C1 1749676657 YIZJSFSCWVOSCL-SFHVURJKSA-N 410.522 1.819 30 10 HDEE COCCN(C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1749757261 ICDKHOKOPPDFSG-DUPDJQDOSA-N 404.471 1.129 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1752387410 FYJWJQIABVXHHK-VFNWGFHPSA-N 410.478 1.432 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CN2CCOCC2)C1 1760161322 FDXBIKZXODQLAG-AABGKKOBSA-N 417.554 1.574 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(C)c(OC)c1 1760175437 JRQHSTMSYWUGDK-KRWDZBQOSA-N 402.520 1.809 30 10 HDEE C#CCN(c1nnc(C)n1CCCOCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1760180914 MZEJRXWDEPJYAQ-GOSISDBHSA-N 410.540 1.047 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(-c2ccccc2)c1 1760192798 NYSPZUXEPIPXEF-UHFFFAOYSA-N 413.485 1.821 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1760219563 HYHTUXHUQWIHTF-CQSZACIVSA-N 418.548 1.105 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1760235289 IOBZOCOWGZKWEF-INIZCTEOSA-N 411.572 1.897 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(c2cnn(C)c2)CC1 1760525163 WSALKTDCEFQAPN-UHFFFAOYSA-N 420.521 1.684 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCCC)C1 1760545619 YDRTUZNSNDTXIP-AWEZNQCLSA-N 416.482 1.313 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCOC2)C1 1760549331 BQRVIJYQSSHDTL-XLIONFOSSA-N 402.499 1.072 30 10 HDEE Cc1cnn(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1762194739 MQXQDTAYNVZNQQ-PMACEKPBSA-N 417.489 1.966 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCOCC1 1768633780 HRXWQRNXVLMEOF-UHFFFAOYSA-N 407.478 1.728 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769591927 LUGLXTYJTOBSBW-HLLBOEOZSA-N 412.498 1.541 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1(C)C 1770633865 VQJIKLTYFBHYKQ-KRWDZBQOSA-N 407.482 1.755 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1771178915 KFMCMYDKPPZOGE-GDBMZVCRSA-N 411.528 1.177 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)ON2C(=O)c3ccccc3C2=O)cc1C 1772787758 BKIXEBXWMUBSSZ-UHFFFAOYSA-N 402.428 1.678 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)NCCN2CCC(C#N)CC2)cc1 1850005504 KVKBZAMMUXIEMH-UHFFFAOYSA-N 406.552 1.614 30 10 HDEE CN(CC(=O)NCC#CCN1CCCC1)c1nc2c(S(C)(=O)=O)cccc2s1 1850087310 PJJBHVZQLABFDT-UHFFFAOYSA-N 420.560 1.351 30 10 HDEE C=CCCC(=O)O[C@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851236184 QJLGIXWBWNNWOZ-OAHLLOKOSA-N 408.886 1.509 30 10 HDEE O=C(NCC#CCN1CCOCC1)[C@@H](c1ccccc1)N1Cc2ccccc2C1=O 1851542804 FBAWNMLAZYAGGU-JOCHJYFZSA-N 403.482 1.836 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1853319739 FYWGNZWZSMOOSO-UYAOXDASSA-N 415.490 1.440 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2cccc(F)c2)CC1 1853413285 KSSDDMMXPZHSOT-UHFFFAOYSA-N 424.542 1.779 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(CC(F)(F)F)CC3)CC2=O)cc1 1854158883 WPKTZCFPVCDHEU-KRWDZBQOSA-N 408.424 1.656 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ncoc2C2CCCC2)C1=O 1854161098 RHGCGIJRFLEHCQ-JKSUJKDBSA-N 400.479 1.792 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cccc4c3OCCO4)C(=O)C2)C1 1854949981 MTGFVAPXTBKXCL-DLBZAZTESA-N 412.490 1.509 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H]4CN(C)C[C@H]4C3)ccc21 1855491094 FFYGFAUXUIBWDI-HOTGVXAUSA-N 403.504 1.251 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)CCCOc2ccccc2)C2(CCCC2)C1=O 1855577000 YECHKWBUDWSXOJ-UHFFFAOYSA-N 419.503 1.683 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 1855703801 CYEXFKXVZTXFTE-HUUCEWRRSA-N 402.882 1.913 30 10 HDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855726066 HQPUCTALRLFRCH-ZDUSSCGKSA-N 417.418 1.826 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3C(C)(C)CC(=O)CC3(C)C)C2=O)CC1=O 1855866243 NNHRILZELDGXRH-WBVHZDCISA-N 403.523 1.761 30 10 HDEE CON(C)C(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855867622 QKZXTRXVMNZPHI-HNNXBMFYSA-N 413.478 1.064 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C(=O)C12CCCC2 1856253899 NOMZAFQWMVHJEV-UHFFFAOYSA-N 400.479 1.615 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@@H](C)CCC#N)[C@H](C)C2=O)cc1 1856281977 FEDIBKDOCZIIDP-JKSUJKDBSA-N 421.519 1.611 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(F)cc3)C2)C1 1856390730 HQSNGWWSYWDPBD-MRXNPFEDSA-N 408.433 1.773 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)cc1 1856455890 LWTHTEHGPBEPCT-IBGZPJMESA-N 415.515 1.731 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C[C@@H]1CCCO1 1856898124 NYCUVJXGTFLSQW-HNNXBMFYSA-N 405.476 1.596 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c(C)nc3ccccn23)C1)[C@H]1CCN(C)C1=O 1857282128 RIQANJNOFPJOMT-SJORKVTESA-N 409.490 1.350 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861259757 CGZUOKOYPWXMDQ-MSOLQXFVSA-N 415.877 1.428 30 10 HDEE C=CCOc1cn(Cc2ccc(S(N)(=O)=O)cc2)c(CSCCO)cc1=O 1870244458 QGPHMZDKMHSUAG-UHFFFAOYSA-N 410.517 1.334 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCC)cn1CCNC(C)=O 1870332064 DIZVJENDIBQEII-UHFFFAOYSA-N 405.495 1.490 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2cccc(C(F)(F)F)c2)[nH]1 1871497422 ANHCHQHXWQDXDW-UHFFFAOYSA-N 423.443 1.190 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)Cn2cnc3ncccc3c2=O)CC1 1891177466 QKTLHDJYSQUVRH-UHFFFAOYSA-N 403.446 1.186 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010394376 CEYGFAPCECJQEK-KBUPBQIOSA-N 422.331 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNc2cc(Br)cnc2C#N)(C(N)=O)C1 2048696088 NMPGLJTXZGEOCW-UHFFFAOYSA-N 410.272 1.850 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NCc1nn(C)c(Cl)c1I 2054056467 VBLLWNWSZLRBNY-LURJTMIESA-N 402.645 1.257 30 10 HDEE Cc1c(Cl)c(C)[n+]([O-])c(Cl)c1C1=NC(=C2C=C(O)C(=O)C([N+](=O)[O-])=C2)ON1 2060406142 HVGGGVAREUUJQV-UHFFFAOYSA-N 413.173 1.922 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@@H](CS(C)(=O)=O)C2)OC1(C)C 2172711236 IKWNWIMRGISAKI-GFCCVEGCSA-N 400.737 1.905 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1nnc(S(N)(=O)=O)s1 2181110815 PLFDGZXSSHXJGA-VIFPVBQESA-N 418.501 1.101 30 10 HDEE Cc1csc(CN(C)C(=O)NCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2203124924 RKFNSMLWKFSIPH-UHFFFAOYSA-N 402.347 1.499 30 10 HDEE NCC#Cc1ccc(Cl)c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)n1 2224204242 AADRBWVGJNHFFK-UHFFFAOYSA-N 418.862 1.083 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CC(F)(F)C[C@@H]1CC#N 2233994686 MLUAOCBLZKEJLV-RYUDHWBXSA-N 409.455 1.464 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243392149 FWJWCEOUGBSUKT-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243685487 VTXYYEACPUYDPH-CYBMUJFWSA-N 407.276 1.205 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247912918 NQRFMVOAASNLHU-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cn1ncc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247916092 POOAJBDJYXPPKI-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNOCc2ccccc2)n1 2247918741 MYQZRBQCUJKHKL-UHFFFAOYSA-N 414.315 1.653 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)[C@H]21 2249998076 CVXVMCQFCOGMMF-BZUAXINKSA-N 420.315 1.762 30 10 HDEE C=CCCC1(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2280942704 JWPURGLIJKMIOG-CQSZACIVSA-N 401.529 1.327 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@H]2CS(C)(=O)=O)OC1(C)C 2282019842 QZJFERGZNDOVEA-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(CCO)C3)s2)OC1(C)C 2282423695 RYSXPXSBBIRBPT-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3CCNC3)c(Cl)c2)OC1(C)C 2282491610 LXWBRGPDLOWURY-NSHDSACASA-N 421.155 1.933 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282500158 IHWXKKJCIANHCN-OCCSQVGLSA-N 400.375 1.404 30 10 HDEE C[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616969 GVBNRWPKLVLBEX-JTQLQIEISA-N 419.761 1.960 30 10 HDEE C[C@@H]1OCC[C@]1(O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639876 GJZUBUZDHJIVRU-BTDLBPIBSA-N 401.721 1.970 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](F)C2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282836186 GYADHDUAWIZGPW-LBPRGKRZSA-N 404.338 1.192 30 10 HDEE C[C@@H]1CC[C@H](CO)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850140 LLTRCPWWJCNDKP-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](O)CC(F)(F)F)OC1(C)C 2282852245 MUCOPGKYIDVPCM-VIFPVBQESA-N 415.264 1.639 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[S@@]1=O 2282859805 QTOUQHNCGCBHTK-VWLOTQADSA-N 419.399 1.579 30 10 HDEE CC1(C)[C@@H](CN)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282860233 XMTJMXSDWUVJDG-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE C[C@@H](C(=O)O)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284394835 DFFBVIGAZACAGB-SNVBAGLBSA-N 401.315 1.389 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2296342013 SNVUFTKRSHOBDN-ZWNOBZJWSA-N 402.347 1.226 30 10 HDEE COC(=O)c1ccc(C=NNc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 2322614454 FHNVZCWJDNVLQF-CYBMUJFWSA-N 424.866 1.489 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cc(O)c(OC)cc2[N+](=O)[O-])c1 2323375054 NBEIMBGUIZVORF-UHFFFAOYSA-N 411.392 1.639 30 10 HDEE COCCc1nnc(SCC(N)=O)n1N=Cc1ccc(OC(C)C)c(OC)c1 2331260179 NWGONGHONUXYDH-UHFFFAOYSA-N 407.496 1.722 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2367786095 GPCHIVFXCMVGTM-RVKKMQEKSA-N 400.541 1.475 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367794946 KBKKMDJLCIJURO-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367797474 VAFWHZOWCYGPPM-RRFJBIMHSA-N 402.557 1.991 30 10 HDEE CCOc1cc(/C=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)ccc1O 21083857 DCNWAOLXBXJKQJ-UBKPWBPPSA-N 403.428 1.204 30 10 HDEE C[C@@](C#N)(NC(=O)Cn1ncc(Br)c(Br)c1=O)C1CC1 23558287 NVXUAIAUKMLEGK-LBPRGKRZSA-N 404.062 1.577 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cnn(CC)c3)n2)s1 59311999 KSXVHOGBIAPQCH-PJQLUOCWSA-N 406.501 1.612 30 10 HDEE O=C1/C(=C2\Nc3c(cccc3S(=O)(=O)O)C2=O)Nc2ccc(S(=O)(=O)O)cc21 100123235 ZLCOPSDVGJOTMG-BUHFOSPRSA-N 422.396 1.308 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C#N)cc1 111219281 ZXISRLSOLKKWQR-KRWDZBQOSA-N 404.398 1.838 30 10 HDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(c5ccccc5O)CC4=O)nc3c2)CC1 170178842 KYTOMYVMGXBTTP-UHFFFAOYSA-N 404.474 1.737 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1F 301378045 SHRJOENIJHKZCN-UHFFFAOYSA-N 402.451 1.616 30 10 HDEE C=CCN1C(=O)N(CCCN2CCC[C@@H]2C(=O)N(C)C)C(=O)[C@H]1Cc1ccccc1 431148972 GEWJPKJYJRWNSD-WOJBJXKFSA-N 412.534 1.991 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 434463905 VSBLJODVYAFHOC-GOEBONIOSA-N 423.560 1.786 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H]2CCC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 436018757 KRRXJQLEORCZKN-CYBMUJFWSA-N 419.894 1.798 30 10 HDEE CC(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460640965 UPHKQZWLIXQKFS-NVXWUHKLSA-N 412.498 1.399 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 460810275 QMGFTQNFOOPFKO-QGZVFWFLSA-N 404.898 1.139 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 460945762 LWYPPYUMCSMQPH-KRWDZBQOSA-N 410.526 1.985 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(Cn2ccnc2)cc1 480138429 MZMMZMVGPITUFX-MRXNPFEDSA-N 423.498 1.786 30 10 HDEE COC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 483360217 SYMUVEVRJGHRPV-UHFFFAOYSA-N 420.535 1.923 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)ccc1OCC(=O)N(C)C 488665452 DJKBUQFUPCQGEC-UHFFFAOYSA-N 421.450 1.651 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488913115 CVAQNFUNIUOTCX-UHFFFAOYSA-N 424.542 1.802 30 10 HDEE COCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 490324507 WDJUVYQYPVXMSD-GOSISDBHSA-N 421.519 1.223 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1CCC(C)(C#N)CC1 507810925 ILNJXBWRGDECJJ-SFHVURJKSA-N 421.519 1.913 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 508472314 JRJFLPPTXZEGBB-CEXWTWQISA-N 404.559 1.547 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@]3(CCCOC3)C2)CC1 510620155 QZJXSNYDKOKOFB-IFMALSPDSA-N 416.497 1.416 30 10 HDEE COC1CCN(C(C)(C)CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 517409321 UHFKFOPRPVEFHC-UHFFFAOYSA-N 400.527 1.674 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 520975363 SHURXPZKAHYDNH-LJQANCHMSA-N 415.515 1.580 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 521102193 OEQLTSHUHGUHQV-MRXNPFEDSA-N 400.460 1.899 30 10 HDEE C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCS(=O)(=O)c1cccc(C#N)c1 532827807 ONGPKSFXAXZMGW-CQSZACIVSA-N 407.517 1.672 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCCO1 534603024 BLPZYEHXJBTAEG-QGZVFWFLSA-N 409.511 1.284 30 10 HDEE C=C(C)[C@H](CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)OCC 535895565 IKLBETDHVMNISK-HNNXBMFYSA-N 402.538 1.757 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 553309653 YBJJPTJNWLEBNH-VUCTXSBTSA-N 404.417 1.494 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 555242214 GWRSDTUGDDKSFD-QWHCGFSZSA-N 403.405 1.447 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 555264868 AJOWJEUIVCFCRV-KZNAEPCWSA-N 423.583 1.303 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 570014411 LGOOGMAWNPRARC-IBGZPJMESA-N 415.471 1.445 30 10 HDEE C[C@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 584134318 GNXQPUOSONAIRK-ORAYPTAESA-N 404.492 1.864 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(F)c1 586860688 NRVLUWVNHQACAY-KRWDZBQOSA-N 422.460 1.982 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(C#N)cc1 604547596 KLBVGKQNHIUZSW-CQSZACIVSA-N 410.521 1.116 30 10 HDEE N#CCn1c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc2ccccc21 615489002 SFAJZKGYYJGVMW-UHFFFAOYSA-N 423.498 1.775 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 679530145 DFRJATDZTNDMAM-HOTGVXAUSA-N 423.535 1.611 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)cc1C#CCCO 703972652 FUAANLTVVPBMIP-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 727951017 ORCXFIJWFYKPPF-CYBMUJFWSA-N 419.381 1.668 30 10 HDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 730143788 VMCQGUVVAVDFIZ-KRWDZBQOSA-N 419.551 1.131 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 730143952 GDAJBCDPODJCTB-KRWDZBQOSA-N 418.519 1.336 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 735864806 FRXJZZGWIYOWLF-QZTJIDSGSA-N 415.538 1.752 30 10 HDEE CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1 742245793 SIDQVJKLVJFEIH-DYTRJAOYSA-N 407.540 1.075 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1 743625568 DILZEKFICFHJON-UHFFFAOYSA-N 416.450 1.501 30 10 HDEE C[C@@H](CC#N)NC(=O)[C@@]1(CC(=O)N[C@H](C)CC#N)CCN(C(=O)OC(C)(C)C)C1 746185998 UZCONXZUFWJKSF-QEEYODRMSA-N 405.499 1.840 30 10 HDEE COc1ccc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1C#N 746878571 XRQIKUIOIYCVIZ-QFIPXVFZSA-N 406.442 1.959 30 10 HDEE COc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1C#N 746919942 CKEDUKIXHNLXAS-UHFFFAOYSA-N 421.500 1.579 30 10 HDEE CCN1CCN(C(=O)Cc2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 751009780 GOMIIJKDROTQFU-OAQYLSRUSA-N 424.549 1.597 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CCN1C1CC1 751955951 XWFCXKFSIAOICE-RDJZCZTQSA-N 416.909 1.766 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 760620076 KMIJBKCKRGKPKH-JXMROGBWSA-N 412.471 1.650 30 10 HDEE CN(C)c1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 761010948 FXIQXBGCDFLSRV-IBGZPJMESA-N 404.474 1.473 30 10 HDEE COc1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1CO 763041484 PHDRPQYABUUSES-LBPRGKRZSA-N 403.460 1.643 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccn(C)c2)c1=O 763432758 JAAFQIONPXINEA-UHFFFAOYSA-N 405.479 1.829 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccc(C)cc2)sc(=Cc2cnn3ccccc23)c1=O 764993754 FNXIYGWXUAVKNX-UHFFFAOYSA-N 424.485 1.885 30 10 HDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 779711069 AMGRUVQKGMNVGP-BZUAXINKSA-N 413.540 1.464 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCC(=O)N1CCc2sccc2C1 780293368 UMTUGJVIGAGCPJ-UHFFFAOYSA-N 417.512 1.931 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)nc1 780591797 WRRQGQSBTRNWNJ-VQTJNVASSA-N 404.474 1.351 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)Cc3cnc(N(C)C)nc3)ccc2c1=O 780769059 WTZMKDIPRPTQDZ-UHFFFAOYSA-N 410.503 1.999 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)NCC(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 791718315 XAGOVXJZLFRMDS-NRFANRHFSA-N 423.510 1.614 30 10 HDEE Cc1cc(C(=O)COC(=O)c2cc(C#N)ccn2)c(C)n1[C@@H]1CCS(=O)(=O)C1 803847238 AELHMRMYCYJSGB-OAHLLOKOSA-N 401.444 1.771 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1 914605827 LNUSHEWDNWBOSM-UHFFFAOYSA-N 410.459 1.389 30 10 HDEE CN(C)C[C@H](Cc1ccccc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 918377224 KIMUWARYXCAXPL-INIZCTEOSA-N 400.504 1.014 30 10 HDEE COC(=O)c1cc(NC(=O)CN2C(=O)/C(=N\O)c3ccccc32)cc(C(=O)OC)c1 953034325 OHKIRLDSRZBNMD-XLNRJJMWSA-N 411.370 1.423 30 10 HDEE Cc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1083917014 XAASQDCJFCQWEN-UHFFFAOYSA-N 405.469 1.034 30 10 HDEE N#C[C@]1(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC12CCCC2 1125025508 GEEJZRQXOLRVSH-FQEVSTJZSA-N 417.535 1.124 30 10 HDEE N#C[C@H]1COCCN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1126072588 MKDOMBPLZLKBJD-AWEZNQCLSA-N 405.252 1.271 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC2)cn1C 1134051085 UUHNFDQYLCJOOE-LBPRGKRZSA-N 407.418 1.090 30 10 HDEE C[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1CCN(C(=O)OC(C)(C)C)CC1=O 1134525874 MXNPWGGGLYASLC-OAHLLOKOSA-N 421.494 1.319 30 10 HDEE C[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1139811618 QXKPQHFGTSEWPR-JTSKRJEESA-N 404.426 1.565 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2COc3cc(F)c(Br)cc32)c(=O)nc1O 1155538137 CYOJLNDOGIWGGM-LBPRGKRZSA-N 423.198 1.362 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H]1CC[C@@H](C(F)(F)F)O1 1177347206 XPIVAERELYQCKF-LNSITVRQSA-N 419.425 1.841 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)C1 1177754726 NECVVVFNBVAISL-AWEZNQCLSA-N 413.927 1.092 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1178198320 IEVSTHYUCYWFCK-UHFFFAOYSA-N 421.563 1.231 30 10 HDEE Cc1[nH]nc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1I 1179423024 NHENZHIVJHMGLJ-UHFFFAOYSA-N 401.204 1.801 30 10 HDEE Cc1nn(C2CCOCC2)c2ncc(S(=O)(=O)N3CCN(CCC#N)CC3)cc12 1213446053 BAKDSMCOUKVBHZ-UHFFFAOYSA-N 418.523 1.311 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCC)CCc2ccccc2)CC1 1228709564 KIABAAJGLPYZGO-IBGZPJMESA-N 406.552 1.583 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21 1264321663 BTLCIWUEXDXLSL-SNVBAGLBSA-N 409.372 1.849 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC1 1286306897 YRBYQKQHCJJJTB-BZSNNMDCSA-N 403.527 1.325 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286319477 KGFBLFHKLJRQAC-UHFFFAOYSA-N 416.551 1.909 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC(C)(OC)C1 1286339190 JUHKNPHFGSWYSO-UHFFFAOYSA-N 417.535 1.834 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCn1ccnn1 1286365419 WFXQNVFTMUZRGJ-UHFFFAOYSA-N 411.466 1.722 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286387852 VEPIOHJUKGBEDK-MRXNPFEDSA-N 417.535 1.215 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1286439577 SBFVUBNGHIQXGK-HSZRJFAPSA-N 402.502 1.956 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(C(N)=O)cc2)n1 1286470549 ZJMLRLANUASKGM-UHFFFAOYSA-N 407.478 1.216 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCOC2)CC1 1286490796 SKADOISZWXYMFD-OAQYLSRUSA-N 401.511 1.053 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1286514865 QZIDVIVVXWNVSE-NHCUHLMSSA-N 416.595 1.944 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286788293 UFJWOPJMTCUONH-SJORKVTESA-N 412.494 1.527 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1286825774 XJOKQBIRPGNKOT-YESZJQIVSA-N 411.572 1.649 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)CCOC1 1288277427 QUNDEQHWPFCSBX-FFZOFVMBSA-N 406.531 1.124 30 10 HDEE Cc1cnn(C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)c1 1290279198 ICYLLHBINWYZKM-LJQANCHMSA-N 421.505 1.998 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)cs1 1290408976 OTFBTZIJMMIRSQ-BFUOFWGJSA-N 402.524 1.914 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1 1293690286 GPKGAYILDQAWNJ-OCCSQVGLSA-N 420.578 1.227 30 10 HDEE Cn1c(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)nnc1-c1ccccc1 1296165714 BTHPLMGISKQQTL-CVEARBPZSA-N 410.478 1.900 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1298681468 JYTLERXEYWSZQG-QXMHVHEDSA-N 402.472 1.919 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCOC2)CC1=O 1298886548 BCQNOXJXIXHKAJ-GOSISDBHSA-N 424.505 1.538 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1299250481 HZXIZLRLODMYND-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(=O)NC)c1 1300456151 VQABWGBFZCGMEJ-UHFFFAOYSA-N 420.473 1.678 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnn(C)n1 1300654433 XDGVZTQRILZZCF-QGZVFWFLSA-N 424.509 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](C(C)C)N1CCOCC1 1300664420 BGHVSPNVNYBSFA-FQEVSTJZSA-N 412.538 1.783 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)[C@H](C)CCC)CC1 1300695565 DKPPBMWVMZMUCS-GOSISDBHSA-N 411.554 1.591 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1300701040 DJIHBFKTJGNPJP-UHFFFAOYSA-N 410.522 1.144 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300755923 ANRREQZPGBBRBS-MRXNPFEDSA-N 418.567 1.337 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300756360 KIXFOFCQTRASLO-OAHLLOKOSA-N 408.535 1.899 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300970065 JCLPNSGGVHEWPQ-VQTJNVASSA-N 405.499 1.926 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)[C@H](C)CCC)CC1 1301087168 WQGKEJJBVZNKEQ-IAGOWNOFSA-N 423.583 1.889 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCN1CCCS1(=O)=O 1301340978 GXFFCTCZTMWCJU-UHFFFAOYSA-N 414.535 1.940 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301490809 FAKJLQHFYDPINN-MRUHUIDDSA-N 414.510 1.359 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301492900 QYLQRIZTRJJGIF-ZBFHGGJFSA-N 415.494 1.472 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(Oc3nccs3)c2)CC1 1302924162 IVFYVRDHTNHOKD-UHFFFAOYSA-N 406.489 1.161 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCn2cccn2)CCOC1 1303504233 GELLJPZQJJARQB-FXAWDEMLSA-N 415.498 1.334 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1304085520 CVZWMPCWUHHIQN-UHFFFAOYSA-N 418.397 1.863 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)C1 1320155620 AKSGSZQSMXIBDJ-CYBMUJFWSA-N 409.508 1.808 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1358886425 DHYDANLJKFJETL-LRTDBIEQSA-N 405.462 1.530 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1358890252 MSRHVSITKUFPFQ-HUUCEWRRSA-N 420.514 1.181 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358931711 KHTAEFKLRDIQQL-KRWDZBQOSA-N 407.478 1.150 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359054903 LQUPGKOUPGLTLG-GOSISDBHSA-N 418.548 1.117 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1359227016 RAGORIKLSBMEPS-WOJBJXKFSA-N 418.586 1.591 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1359472246 IOBTYPBVJJITOM-GFCCVEGCSA-N 408.484 1.036 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)ccc1F 1439853759 AKFKNVXRMSHKTK-SMDDNHRTSA-N 410.389 1.987 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)CC1 1449061614 LQCVDJPMVLRJLW-UHFFFAOYSA-N 417.872 1.480 30 10 HDEE C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1449321755 GGGCBESZHMJPQV-MJGOQNOKSA-N 405.539 1.959 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 1450329314 QRYAJEZTAZOXMJ-HHXXYDBFSA-N 408.520 1.549 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(C#N)C[C@H]2CC[C@H]1C2 1451637419 CXGWJEPWHPJEIB-SUNYJGFJSA-N 406.464 1.661 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccccc2OCCOc2ccccc2)c(=O)nc1O 1453830029 NKMOQWOFOXXFMQ-UHFFFAOYSA-N 420.425 1.708 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)c(=O)nc1O 1453839851 DGXLERCEAYCUBV-INIZCTEOSA-N 417.416 1.094 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1 1454934840 HYULKXYLYVKSEJ-UHFFFAOYSA-N 416.459 1.867 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 1459801480 KJRWGGVQFXWHBN-FQEVSTJZSA-N 415.534 1.898 30 10 HDEE Cc1cc(C#N)cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1 1460434392 BYTYABYNWRCVOP-UHFFFAOYSA-N 414.487 1.854 30 10 HDEE Cc1nc(C2C[C@@H]3CC[C@H](C2)N3CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)no1 1460675716 PRNOPZVFURMRRL-IPQPSQTFSA-N 400.527 1.781 30 10 HDEE COCCn1ncc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1C 1464257021 CXAVINHWSWBGAX-RELWKKBWSA-N 419.507 1.903 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)c1cnn(C[C@H](O)CO)c1 1464719971 JYKUKLJDMGUNIZ-HNNXBMFYSA-N 412.259 1.966 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)c1 1464911804 ZRTBNWSHRQBDOS-UMCXVIDHSA-N 404.492 1.368 30 10 HDEE C=CC1(CC(=O)NCC2CCN(S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1466622737 OWLZUBVRQSHABJ-UHFFFAOYSA-N 415.556 1.587 30 10 HDEE N#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1468041358 JPAJXCMYDHRKDA-LBPRGKRZSA-N 406.291 1.395 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 1468479670 JIMBBQVGRWONAJ-OAHLLOKOSA-N 406.891 1.885 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)C1 1471337172 OEJAADNQJQYMKB-IBGZPJMESA-N 403.571 1.202 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](CCC(=O)OC)C2)s1 1471680881 KBNHRRPVAZIXLR-CQSZACIVSA-N 414.549 1.947 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)C1 1471833451 YSRJHNKXWLSDEM-YKSBVNFPSA-N 418.497 1.821 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n[nH]1 1472385200 HUCMPUAJZKSNHH-ZBFHGGJFSA-N 408.466 1.165 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1475414138 MCRQAHOQYRBJHC-WFASDCNBSA-N 406.501 1.847 30 10 HDEE C#C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)cc1 1477790028 PVCITRXQNYBZBH-HYEKCJMVSA-N 417.263 1.949 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)nn1 1478854329 JKJLANANTVZQKX-UHFFFAOYSA-N 424.914 1.334 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479381596 ODQYCJUHKTVJKD-HOTGVXAUSA-N 421.494 1.363 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1503942864 FQOJAJKONMIHRV-KYJSFNMBSA-N 410.478 1.478 30 10 HDEE CS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1505135020 HHSXTQXZEVHKGV-YJBOKZPZSA-N 421.454 1.277 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1507622878 MOWPMISFFYOGEE-JKSUJKDBSA-N 423.583 1.581 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1507691034 ZMIJFRFLTVKPKT-DLBZAZTESA-N 410.526 1.742 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCn2cc(C)nc21 1507710924 WYQXERGKRIVXBI-KRWDZBQOSA-N 408.510 1.847 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CC1 1507723094 UUPMHPHSUFHIMA-UHFFFAOYSA-N 400.490 1.662 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1507771582 CJLMCLWGNCTLBA-LVCYWYKZSA-N 419.595 1.904 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2CCOC[C@@H]2C1 1507783123 CDYRCHSWLVWHLG-CABCVRRESA-N 412.332 1.602 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507937902 ZTZNPOBJTPGECY-UHFFFAOYSA-N 415.498 1.001 30 10 HDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1508066686 CQLYQIJDOLMXLR-GJZGRUSLSA-N 417.514 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CCC(C)(C)C)CC1 1508080866 SBCXIOQULXKTJQ-UHFFFAOYSA-N 412.542 1.596 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1508129739 RKSXOQJHXZJUQX-ROUUACIJSA-N 410.522 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC[C@H]1C 1508131673 OSJHKIBCMJPWMK-HZPDHXFCSA-N 409.556 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCNC(=O)CC1 1508134143 BNKIPEOKZHTGMI-UHFFFAOYSA-N 423.926 1.526 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cscn1 1508140209 GVGUPRQRFDABAP-AWEZNQCLSA-N 411.553 1.866 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1508406079 JOAWDWFSLDZWLX-HOTGVXAUSA-N 402.499 1.653 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1509057570 ADHBQVPHLSSNOD-YUMLTWSLSA-N 414.510 1.791 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1515795961 HZRQMKAMICUBFJ-MRXNPFEDSA-N 405.466 1.178 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1517840668 GEEVRWUIUMOERD-SJORKVTESA-N 415.494 1.532 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1521095267 JRLFOPMVNPDDGH-IBGZPJMESA-N 419.489 1.852 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccnc(N4CCOCC4)n3)CC2)c(Cl)c1 1524851917 FZIYHNKRBONICT-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE C=CCCn1cc(C(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)nn1 1524975536 KOKMEOZFZVIBIL-INIZCTEOSA-N 404.492 1.692 30 10 HDEE CCN1CCOC[C@H]1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1525956158 IKVNWVHWOHMMDZ-LOFJQREMSA-N 422.551 1.939 30 10 HDEE C#Cc1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 1528919567 DCRMDGNWGYZZPO-GOSISDBHSA-N 424.478 1.921 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)c2cccc(C#N)c2Br)C1=O 1532068922 ZDMGJNOUMWVWRW-APPDUMDISA-N 405.252 1.771 30 10 HDEE Cn1c(=O)c2cc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)n(C)c2n(C)c1=O 1535928011 BRLISTZQKOKNFB-CQSZACIVSA-N 419.363 1.481 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@](C)(C#N)C2)ccc1Br 1538843743 ACQSRIVLCOBTQN-OAHLLOKOSA-N 416.297 1.454 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539014597 RRIVADBFZPLNEN-FUHWJXTLSA-N 411.506 1.755 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C1CC1 1539172221 VQPZNQHKWQSJQW-HNNXBMFYSA-N 405.506 1.744 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1539237249 BMZFOTGSLKQCIF-RXVVDRJESA-N 414.506 1.546 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1c(C)nn(C)c1C 1539315412 LRAJYBFAGJPQPT-UHFFFAOYSA-N 419.489 1.867 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C(=O)NCC)c2)CC1 1539461339 DPECMXODEKPOAS-UHFFFAOYSA-N 410.522 1.368 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1539530563 IORBHWYEHZOCBQ-YRNRMSPPSA-N 419.551 1.011 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1539728749 DHAFXTQQCMUICP-CABCVRRESA-N 415.560 1.485 30 10 HDEE C=CC1CCN(c2nnc(CC3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1539894108 AEEOYIUCHWIAJG-UHFFFAOYSA-N 422.533 1.896 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)C(=O)C1 1540870491 OTXQUVQUVNKUPM-INIZCTEOSA-N 404.515 1.127 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1541798019 ABUGFDQECVNGAS-HUUCEWRRSA-N 408.528 1.220 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CN(C3CC3)C2=O)n1 1543006977 XRELFHFKAFBDCS-BTYIYWSLSA-N 410.526 1.889 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@H]1C 1547711029 CFPPBIWRAADWJV-QGZVFWFLSA-N 423.521 1.206 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1555421067 GPHXANRCKUABLC-AVRDEDQJSA-N 424.505 1.415 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(OC)CCOC1 1555746122 BQXYQCWCBSQVGA-IDPBPBMLSA-N 419.526 1.938 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](CO)c3ccc(F)cc3)C2=O)cc1 1557026469 LKHNMMGALDYCHP-VQIMIIECSA-N 424.432 1.795 30 10 HDEE C=CCCOCC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1558066423 RJOXQDGHACKFAK-XHSDSOJGSA-N 409.483 1.620 30 10 HDEE CN(C)C(=O)O[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1559847882 CTSZHGUHNOHEJS-IAGOWNOFSA-N 419.551 1.620 30 10 HDEE Cn1nccc1[C@H](NC[C@H](O)COc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 1559964242 PMKDVKRUQCAXHA-LPHOPBHVSA-N 400.479 1.898 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H](c1ccc(C)o1)N1CCOCC1 1563535713 ILOPGCFXBSOGLN-QGZVFWFLSA-N 405.495 1.948 30 10 HDEE CN1CCN(C)[C@@H](CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1564019507 AAYHBUQDDBQXKG-IBGZPJMESA-N 422.537 1.026 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1565001530 ABTYWLRKOVEDLG-LJQANCHMSA-N 406.552 1.786 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)c1 1570876169 INIHUQUNMXYJSC-GOSISDBHSA-N 420.531 1.848 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1588384794 BGOUUAOAKKDGGT-INIZCTEOSA-N 407.540 1.042 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC)CC1 1588790745 APGNYPHUVFHPQX-UHFFFAOYSA-N 403.490 1.385 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1589581974 XJCJFIXGMHQMMO-YVSFHVDLSA-N 405.499 1.062 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1594186873 NIPUSFMQCXYIGY-UHFFFAOYSA-N 400.541 1.919 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1595228459 CVXJLGKHKROYFQ-LAUBAEHRSA-N 401.511 1.917 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C)CC1 1595522401 DBGXFHUZBLTSMN-UHFFFAOYSA-N 421.509 1.011 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)c1ccccc1 1595570084 WVINOMUQEXPKQQ-KRWDZBQOSA-N 410.522 1.943 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](OC)C(C)(C)C1 1595608339 REZMOQIYCHHAMB-UXLLHSPISA-N 407.515 1.166 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H](OC)C(C)(C)C1 1595797717 HYACVLJJKKNKLY-HOTGVXAUSA-N 412.556 1.982 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(Br)nc1O 1596099595 SKAZEBKIRUTEPU-JTQLQIEISA-N 403.240 1.562 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3cncn3C2)cc1 1596419846 FMJPJCOWWQYBSN-FSXJBPCSSA-N 401.492 1.897 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 1596940858 BLFUYKOOERKJIE-IAGOWNOFSA-N 404.511 1.999 30 10 HDEE CC(C)CSCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1607787577 XNELNWKFXWIJCY-MRXNPFEDSA-N 406.556 1.909 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)(C)C 1608578700 DLESWXXZUOPEJU-INIZCTEOSA-N 403.531 1.408 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1611770595 AFGSTSBWERTBDW-KSMMKXTCSA-N 401.471 1.248 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1615742011 VPEWRHPAACFHMN-UHFFFAOYSA-N 421.509 1.827 30 10 HDEE CCN1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1=O 1615832505 DGQNCRNUWLCMHB-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 1623494170 BSZCNWJBLHBKJN-OAGGEKHMSA-N 401.360 1.881 30 10 HDEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@H]1n1cccn1 1624304384 VITZCFSTXBIMOB-DEDPTDFYSA-N 401.467 1.413 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1)C(=O)OC 1626188444 YUXWCDKEKQIAIP-ZWKOTPCHSA-N 413.499 1.767 30 10 HDEE Cn1ncc(CCC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)n1 1627453904 CNCUURZZNYGUHT-KRWDZBQOSA-N 417.311 1.919 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1630276332 LIYPLWNDKVZGCL-DOTOQJQBSA-N 409.508 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@]2(C)Oc3ccccc3NC2=O)C1 1632533166 OHTPHQFUZBYYNJ-SIFORAMQSA-N 400.435 1.651 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2O)C(=O)OC)c1 1633488189 DWSGVKWYEWPNEE-GOSISDBHSA-N 415.467 1.703 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 1634076614 QQXJIDJSOIXGDX-FGTMMUONSA-N 415.490 1.604 30 10 HDEE C=CCn1cc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)nn1 1634319069 SRZGFFDFMJCODO-UHFFFAOYSA-N 411.447 1.258 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1636785745 GLEFXNABJLUOCD-LLVKDONJSA-N 423.214 1.883 30 10 HDEE C=CCNC(=O)CNC(=O)[C@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1637324576 DJUMOPIQFJDFGX-OAHLLOKOSA-N 419.478 1.788 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1637747130 XKZGOYLDZOHAFB-HNNXBMFYSA-N 416.455 1.373 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)OC 1638826560 LTJZIAQBLGZRCU-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE Cc1cn2c(=O)c(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cnc2s1 1639054189 AKOISJCCDSACJR-UHFFFAOYSA-N 412.427 1.582 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCS(=O)(=O)C(F)(F)F)n[nH]2)c1C 1640293425 MLCLNVRMAHMDJS-UHFFFAOYSA-N 405.402 1.740 30 10 HDEE C#CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC)C(=O)OC 1642410363 BMQYUUWBXMJFCB-GDBMZVCRSA-N 416.503 1.926 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H](O)CC4(CCOCC4)C3)CC2=O)cc1Cl 1643362877 CVCROGLKWUSFRW-RDJZCZTQSA-N 417.893 1.955 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 1648718161 CFNYOOPYCPGESE-KFWWJZLASA-N 412.483 1.657 30 10 HDEE N#Cc1ccc(Br)cc1N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1651401658 WDDYBGJLIPFKLO-UHFFFAOYSA-N 405.252 1.118 30 10 HDEE O=C(NC1CCCCC1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1652738993 QZOONBXEMZHKPQ-UHFFFAOYSA-N 408.502 1.946 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@H]32)cc1 1653120528 KVSCPHYKFLBODG-SJORKVTESA-N 421.519 1.985 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1657166523 VFCBYSGMPVUUBJ-UHFFFAOYSA-N 415.493 1.981 30 10 HDEE CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C[C@H](O)c1cccc(C#N)c1 1659322542 TZDROBJMJIYMTG-KRWDZBQOSA-N 413.478 1.199 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1663859382 PMPVOXPINYPICF-OAHLLOKOSA-N 402.538 1.467 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1666769760 GJGICPLPJJNBMR-OAHLLOKOSA-N 414.325 1.847 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2nnc(C(CC)CC)s2)CC1 1667202397 IVRUFWBJVCXUSO-UHFFFAOYSA-N 400.530 1.059 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)C1CCOCC1 1672511132 IRQBDACTNBAGRH-MRXNPFEDSA-N 413.927 1.654 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)nn1 1673802761 ULPAFDXRVZJEGV-UHFFFAOYSA-N 417.901 1.583 30 10 HDEE C#Cc1cccc(CNC(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)c1 1676149898 JKLPPMDEYFEIKQ-UHFFFAOYSA-N 414.506 1.984 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)nn1 1683483176 QHXAGVATJHDMTL-HNNXBMFYSA-N 418.523 1.907 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2C)CC1 1686119497 SXWJYSKBFCDDTB-UHFFFAOYSA-N 418.441 1.309 30 10 HDEE CN1CCC(CNC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)(N2CCOCC2)CC1 1686784055 FWGDHFRHJQKVDH-HXUWFJFHSA-N 415.538 1.030 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1690063564 HXQYRQAQGXZZNA-INIZCTEOSA-N 419.551 1.937 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)N2CCOCC2)CC1 1690122384 PHMJSKCOZLPWMZ-IBGZPJMESA-N 409.538 1.124 30 10 HDEE C=C(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1690279593 SINXKPACHHMVJG-UHFFFAOYSA-N 400.483 1.997 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 1690394702 IQFDCASTKNSQFN-GOSISDBHSA-N 404.559 1.666 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1)C1CC1 1690536709 DEHDNIFZGFQLIC-CVEARBPZSA-N 410.588 1.775 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCC[C@H](SCC)C1 1690659540 WFQALWWIZBEZOG-HNNXBMFYSA-N 408.572 1.831 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 1690663376 UXPYYMXADIYXDJ-UHFFFAOYSA-N 403.508 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1690667692 DKTLTCNTFHVSSQ-JOCHJYFZSA-N 422.464 1.879 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690671551 YPZHXVLFFKETHA-CABCVRRESA-N 417.470 1.091 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC2)C1 1690684524 HPUPOTSLIXIIDM-KRWDZBQOSA-N 411.510 1.803 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC(C)CC2)C1 1690711767 HYNBHRLVIRAZTL-LJQANCHMSA-N 416.570 1.914 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)NC(C)C)c1 1697505390 APUIRWSUUDSPGM-OAHLLOKOSA-N 420.539 1.877 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccccc1 1705477690 REFGDCDTYBTKCH-SJORKVTESA-N 418.567 1.478 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1705478068 WEBZPNFRCZQIMH-DGCLKSJQSA-N 410.569 1.662 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@H](C)N1CCOCC1 1705629313 DECNWEDREPTORU-SFHVURJKSA-N 415.513 1.815 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](F)COC)CC1 1705643183 VKUNBHWLGGIRMS-GOSISDBHSA-N 401.486 1.905 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@H]1C 1705680459 BGZZSLBUEJMOLK-OLZOCXBDSA-N 416.320 1.578 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705732925 KFUGXFHEMIYBGM-HXUWFJFHSA-N 417.535 1.948 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCc2ccco2)n1 1707812614 MSOJAQFNFLKWCA-HNNXBMFYSA-N 410.482 1.788 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1708112792 GCGLKCSZVRTDSJ-RDJZCZTQSA-N 414.535 1.944 30 10 HDEE CS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1712700228 CSPOOHAHORJNOB-GOSISDBHSA-N 402.455 1.913 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCC2CC2)C1 1722323867 IDDVNVYIIRALRD-DOTOQJQBSA-N 409.556 1.697 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722331335 DJJTWQGAFLTGAS-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722341409 XOQZDLJSNTXMSW-GOSISDBHSA-N 402.543 1.533 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1722366820 SNXQLSARXCBELL-SJORKVTESA-N 404.540 1.705 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1nncn1-c1ccccc1 1722395716 ONAACFLJBLGIOG-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1722459877 SRODJZAXEXESPE-ZWKOTPCHSA-N 417.579 1.891 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722507729 JBDPESZKOOOJHB-RYRKJORJSA-N 424.567 1.777 30 10 HDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1729515245 HFJLGLNTQJYUFT-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1730705221 LTIVRLRKYIVBKO-FUHWJXTLSA-N 410.478 1.480 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCOCC(F)F)CCN1C1CC1 1731188446 FSTDTUQMXIETPQ-GOEBONIOSA-N 410.469 1.630 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)c1cnn(CCCOC)c1 1740329844 UDUWKCJTDTWBGH-GFEQUFNTSA-N 402.495 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1740536679 KVVXJUUKGADDJK-SNVBAGLBSA-N 415.317 1.043 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1740581473 YQAHUOJZWGCNEY-UHFFFAOYSA-N 419.493 1.399 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1 1740639343 AHDQGPXRQLLSRB-SFHVURJKSA-N 412.515 1.722 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1740792180 FZOOQDGMOQTGBA-UHFFFAOYSA-N 404.515 1.590 30 10 HDEE C=CCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1740950225 XOCFAILVOGMVRJ-NRFANRHFSA-N 405.543 1.665 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)C[C@@H](C)C1 1740959270 PMXGFNQGGUXGKP-ZIAGYGMSSA-N 400.483 1.790 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCOCC1 1741478108 MKRBKWMPWUAOKV-HXUWFJFHSA-N 415.586 1.766 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](CO)O1 1747704089 ASTRMGWBHLMUJJ-RBUKOAKNSA-N 407.478 1.727 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1748074122 JOCPPAFGFQRLIV-OAHLLOKOSA-N 413.438 1.354 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748661841 MHUXBQWHDYLFNJ-GDBMZVCRSA-N 407.453 1.676 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748801504 BEFQHHHUKPKUCS-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@H]1CCCN1S(C)(=O)=O 1748943985 HHDAISOIVUUDBA-GOSISDBHSA-N 405.499 1.789 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(F)CCC2)CC1 1748989818 PURSEYRTQZNNOC-INIZCTEOSA-N 409.531 1.218 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2ccccc2)CC1 1748992648 CUZVKZVXLVNVCG-XMMPIXPASA-N 416.529 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCOC)CC1 1749008820 CDQCKMFRQPDDJI-IBGZPJMESA-N 417.554 1.955 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749174687 YIWILYWIXGYGHQ-HOCLYGCPSA-N 420.514 1.345 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2CCCO)C1 1749703672 MPVGDFLFBLJYCD-RTBURBONSA-N 412.538 1.968 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)C[C@H]1CCCO1 1749729242 FIGAEVKNKQPAJV-MRXNPFEDSA-N 407.540 1.890 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1751095886 HSGLRNIMIFDCHO-RDJZCZTQSA-N 402.524 1.827 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1C 1760117464 PEGHXALYJQZQJF-TWMKSMIVSA-N 409.556 1.505 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)Oc1ccccc1F 1760163394 URRYISMMANPTQG-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1760171157 XBBBIBCAZNABBB-UHFFFAOYSA-N 405.506 1.660 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1760176061 YLZOWWPDUZGXQS-MPQSDHOMSA-N 403.527 1.121 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1 1760204269 JONQMUVQBLGCIX-OAQYLSRUSA-N 419.577 1.610 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1cncn1 1760504551 TXHYUFKEGYONGQ-UHFFFAOYSA-N 411.466 1.647 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccnc2)C1 1760534910 IPRUGMZGGXFIAP-WBVHZDCISA-N 420.539 1.307 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC=CCO1 1761481696 SQXVYMPRTBSHTR-HOCLYGCPSA-N 408.528 1.363 30 10 HDEE Cc1noc(C)c1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1762665646 OBEOSZGZARWUQG-OXQOHEQNSA-N 416.482 1.701 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC(CC#N)CC1 1766714648 ACTHJLBAACSDAK-UHFFFAOYSA-N 417.539 1.800 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771164565 IJDAKIDTQYPYCX-ZIAGYGMSSA-N 423.495 1.138 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ncccc1N(C)C 1771222535 JMNDEQIKQGPAMX-CVEARBPZSA-N 415.498 1.240 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1 1771267928 BKBZIOAKLQXOPK-UHFFFAOYSA-N 403.508 1.439 30 10 HDEE N#C[C@H]1CN(c2nnc(CCc3ccccc3)n2CC(=O)NCc2ccco2)CCO1 1771539473 ZBWHYIOSVZXEFN-IBGZPJMESA-N 420.473 1.701 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1c[nH]nc1-c1cccc(Br)c1 1850573070 KFFRFJNPHHTPPN-UHFFFAOYSA-N 403.280 1.905 30 10 HDEE CN1C(=O)CC[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@@H]1c1ccc(F)cc1 1851118358 YCLJOCNAYBUSPD-ICSRJNTNSA-N 422.464 1.746 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3ncc(Br)cc3C#N)CC2=O)CC1 1851136734 BIARWBDMBHLNQH-GFCCVEGCSA-N 406.284 1.597 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl)CC2 1851411593 PILFJUFQZMINBM-INIZCTEOSA-N 419.894 1.673 30 10 HDEE CN(C)C(=O)[C@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)c1ccccc1 1851889447 BRKJOGONPBGJHR-HXUWFJFHSA-N 421.501 1.490 30 10 HDEE CCN1C(=O)CN(CC(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)C1=O 1852309677 MJTXFTBQJJIAQT-UHFFFAOYSA-N 420.351 1.985 30 10 HDEE COc1ccc(OCC(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)c(OC)n1 1853680939 RVYSYHOKDZCUGO-INIZCTEOSA-N 416.478 1.478 30 10 HDEE CN1CCN(C2CCN([C@@H]3CCCN(C(=O)c4cccc(C#N)c4)C3=O)CC2)C1=O 1853727917 JXOMKEVDTXOUOX-LJQANCHMSA-N 409.490 1.521 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1=O)[C@@H]1CCN(C)C1=O 1854178790 GQJSPWVNAVLACD-MOPGFXCFSA-N 401.482 1.913 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4F)C3)CC2=O)no1 1854196955 XHTKIIKUFFSRJR-QGZVFWFLSA-N 411.437 1.553 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccccc2F)C(=O)C12CCCCC2 1854401816 UDUORWOXCHILAW-UHFFFAOYSA-N 407.467 1.595 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)CCn3c(C)cc(C)nc3=O)C2)CC1 1855015369 SVEBHLHZKYOAGV-IBGZPJMESA-N 400.523 1.913 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1855127508 YFYBPCHWVJJVIH-INIZCTEOSA-N 401.486 1.859 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cncn1 1855447832 MQXILIXPCIEKFT-HNAYVOBHSA-N 408.462 1.382 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)CCn4cncn4)C3)CC2)cc1 1856028032 UDEXYDWJKUICSW-FQEVSTJZSA-N 406.490 1.827 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN([C@@H](C)CCC#N)CC1=O 1856441409 WUKBACPAZVRBLD-HNNXBMFYSA-N 409.446 1.218 30 10 HDEE Cn1cncc1C(=O)N1CC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857010086 ISEIVGABNXOBIW-QGZVFWFLSA-N 408.462 1.219 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)COc2ccccc2)C1=O 1857039263 PFBFDCPLOUIYAY-OAHLLOKOSA-N 413.455 1.935 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1F 1857099989 ALEKLLNMNLBDBE-CQSZACIVSA-N 415.446 1.900 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)C2=O)CC1 1857274637 QADRONWVFJSPQT-SFHVURJKSA-N 416.428 1.400 30 10 HDEE Cc1cc(C)n(CC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)n1 1857501527 AUKOGGHLPIRYGU-UHFFFAOYSA-N 407.474 1.704 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2ccc(N3CCN(C)CC3)cc2c1=O 1866443101 WJRYYQHKQOLTHS-AWEZNQCLSA-N 411.462 1.109 30 10 HDEE Cc1cc2nc(C(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)cc(C3CC3)n2n1 1867171384 RLJHSKYDKSWFQH-KRWDZBQOSA-N 404.430 1.516 30 10 HDEE CCOC(=O)CN(C)C(=O)[C@@H](C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868781897 BVBIGNOAVFCPEU-GDBMZVCRSA-N 420.535 1.551 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O 1870146891 NJRXUXICWQJJMN-UHFFFAOYSA-N 417.341 1.525 30 10 HDEE N#Cc1ccc(F)cc1CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882498418 WWBRVHHZGOXKFU-KRWDZBQOSA-N 420.418 1.992 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)CC1 1889487351 BJCIPPXKHLEIAB-UHFFFAOYSA-N 421.545 1.744 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C1 1964016896 HGAHVNBETVEEFG-JTQLQIEISA-N 405.389 1.986 30 10 HDEE C#CCC[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)O 2041209704 DLTOXKXGGXSRRH-OAHLLOKOSA-N 406.460 1.095 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118153962 DPZVJSMOOPOICO-SHZVTRLKSA-N 408.546 1.431 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174783978 JCFDZHSERCRTBD-CABCVRRESA-N 402.517 1.082 30 10 HDEE C[C@@H]1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](C)[C@H]1NC(=O)C(F)(F)F 2243392398 IFCCISBZDSMQDQ-BZPMIXESSA-N 402.222 1.925 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2247917104 IETZRJICKGBZFY-CHWSQXEVSA-N 420.319 1.423 30 10 HDEE C=C1CCC(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258189286 GKXMRYMDLVXKOF-QGZVFWFLSA-N 410.492 1.873 30 10 HDEE C#C[C@H](C1CC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258190507 ZRRDOHFGRDJMJE-IAGOWNOFSA-N 408.476 1.128 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=S3(=O)CCNCC3)sc2Cl)OC1(C)C 2267132639 RWNJPGOIHPFZBZ-UHFFFAOYSA-N 404.750 1.912 30 10 HDEE CO[C@@H]1C[C@@H](O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281933025 UEQLWRVMKPMFSY-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](C(F)F)CC3=O)s2)OC1(C)C 2282333692 RMSPMLNZQNCHOK-SECBINFHSA-N 407.269 1.850 30 10 HDEE C[C@H]1CNC(C)(C)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336054 XUZKVYASVSCQNK-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE C[C@@H](CCCO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282417695 JQVHZTPMWVQCOO-ZDUSSCGKSA-N 403.375 1.875 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(CCO)C3)c(Cl)c2)OC1(C)C 2282489076 CMEXXPVNCVFWAP-UHFFFAOYSA-N 401.721 1.642 30 10 HDEE Cc1csc(C(=O)NCC(C)(C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282568153 YIFQOPAJHSOESI-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@H](CO)C3)c2Cl)OC1(C)C 2282638778 RLLZGHBRAVJXCI-NSHDSACASA-N 401.721 1.782 30 10 HDEE Cc1cc(S(=O)(=O)N(C[C@H](C)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282838189 KMCCNWDEPMFFLN-LBPRGKRZSA-N 401.359 1.890 30 10 HDEE C[C@H]1[C@H](O)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844358 CEEQYYRHWOCNNT-GXTWGEPZSA-N 401.359 1.722 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@]1(C)CN 2282851173 YMLSGCUUFHGWON-YVEFUNNKSA-N 400.375 1.653 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CN 2282883312 YPGWNLOLCIZRQV-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE C=C(CS(=O)(=O)NC1(CC(=O)O)CCSCC1)B1OC(C)(C)C(C)(C)O1 2284403553 QVOISTKRIVBGRZ-UHFFFAOYSA-N 405.347 1.834 30 10 HDEE CS[C@@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409667 MCEHIQSFSLIDPS-CABZTGNLSA-N 421.371 1.530 30 10 HDEE COC1(C#C[C@H](N)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CCCCC1 2363630180 RXFWWROYMMYANF-KXBFYZLASA-N 400.541 1.748 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2365202890 GRSKYSNYUYAJGR-HRCADAONSA-N 402.557 1.816 30 10 HDEE CCN[C@@H](C#Cc1ccnn1C)[C@H](O)c1ncc(I)s1 2367753934 MHIWBGHTAYNEIN-JQWIXIFHSA-N 402.261 1.544 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367801648 VARGPKRGLSYJMW-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367811344 HFBANHYVKHLRTE-HDMKZQKVSA-N 400.541 1.435 30 10 HDEE C#CCOCCONC(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370312128 JIRUXJWMIJJJDK-GJZGRUSLSA-N 402.428 1.932 30 10 HDEE O=S(=O)(/N=C1\C=C2N(CCO)CCO[C@]2(O)c2ccccc21)c1ccccc1 1926202 SRIZICIGFZNFNF-QOJBNDRUSA-N 400.456 1.232 30 10 HDEE C=CCNC(=O)CN1CCN(c2nc(C)nc3sc(C(=O)OCC)c(C)c23)CC1 28623815 PRHGZNPMSUDDDS-UHFFFAOYSA-N 417.535 1.909 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc([C@@]4(C)NC(=O)NC4=O)cc3)cc2C1=O 52662954 XJKYUXUCYVTPDV-JOCHJYFZSA-N 418.409 1.776 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cn2cc(Br)ccc2=O)CC1 106086465 JCRFQSARXLPGPW-UHFFFAOYSA-N 402.252 1.226 30 10 HDEE N#CCCCCNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130079151 ACDUZDZJMOMHFE-UHFFFAOYSA-N 408.217 1.962 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(CC(=O)NC(C)C)CC2)nnc1C(C)(C)C 253571028 OKQQDJBDJTZTQC-UHFFFAOYSA-N 422.599 1.523 30 10 HDEE C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2ccncc2)c1=O 254518927 NEOCIRSLVAOLMW-UHFFFAOYSA-N 404.499 1.360 30 10 HDEE Cc1cc(NS(=O)(=O)CCS(C)(=O)=O)ccc1B1OC(C)(C)C(C)(C)O1 405176120 BVSPPQGBFRULKJ-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE C=CCN1CC[C@H](N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C1=O 410308859 ZOUKFCNOVKUUGG-INIZCTEOSA-N 417.453 1.799 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCC2(CC#N)CC2)cc1S(=O)(=O)NC(C)(C)C 430375847 DVFKEGHVXYIMHT-UHFFFAOYSA-N 406.508 1.820 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccn(C2CCCC2)n1 432317116 FKHOESHXCGEUJG-CQSZACIVSA-N 401.492 1.853 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](Oc2ccncc2)C1 435241903 IDOZLPOXHNAERX-QGZVFWFLSA-N 410.430 1.597 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)NCCSCc2ccccc2C#N)CC1 473887324 PGPZPQQMQCFIRK-UHFFFAOYSA-N 403.552 1.597 30 10 HDEE CCn1nccc1CN(CCO)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 474672859 AUXGJOAYNMPTOK-IBGZPJMESA-N 410.478 1.080 30 10 HDEE C[C@@H]1C[C@@H](C)[C@@H](C)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 475722870 IZXYGCCGWZHWBY-KZNAEPCWSA-N 418.563 1.758 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nccn1CC(F)(F)F 481537997 NEWPSZVTYYSHFS-LLVKDONJSA-N 415.397 1.300 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486483466 AKBYSLDFGMALAL-HXUWFJFHSA-N 408.506 1.942 30 10 HDEE COC(=O)[C@@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)Cc1ccccc1OC 489695442 FHQICASOXRGAES-MRXNPFEDSA-N 403.460 1.581 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(Cl)cc3c2OCC(=O)N3)CC1 495502792 KWGVVBXJHNLJMV-UHFFFAOYSA-N 407.858 1.123 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)nn(-c2ccccc2)c1N 503309376 INJMJNKLWQDXGP-QMVVUROPSA-N 413.481 1.702 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 505674143 PWJHPGRJZHBJIW-OXQOHEQNSA-N 406.504 1.596 30 10 HDEE C=CCOCCCC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 505823059 BMWYNRZEPNKCPZ-SFHVURJKSA-N 403.527 1.351 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)cc(N3CCOCC3)c2)CC1 522842304 PUINKYFEOFMOKC-UHFFFAOYSA-N 405.474 1.114 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)N2CCc3ccccc3C2)CC1 524516923 SJHJRGIHCFZHDB-UHFFFAOYSA-N 413.566 1.453 30 10 HDEE N#Cc1cccc(N2C(=O)C(Cl)=C(Nc3ccc(S(N)(=O)=O)cc3)C2=O)c1 526654855 CNFPEKITTAEGIE-UHFFFAOYSA-N 402.819 1.641 30 10 HDEE Cc1ccc([C@@H](CNC(=O)c2cc(C#N)cn2C)NC(=O)c2cc(C#N)cn2C)o1 534821268 TZOQZIYMUVWXLT-MRXNPFEDSA-N 404.430 1.909 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3COc4ccccc4C3=O)C2=O)cc1 538308782 AORDWGVONQYLOJ-IAGOWNOFSA-N 418.409 1.523 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 539356626 JRJDAPNCLQYTOF-GFCCVEGCSA-N 402.405 1.586 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H](C2CC2)N2CCCC2)CC1 545356746 IEOOEMWSZPERNX-IBGZPJMESA-N 402.520 1.266 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2ccncc2C#N)CC1 547826328 GEMBGLKPRXVVAR-UHFFFAOYSA-N 404.448 1.461 30 10 HDEE O=C1CCCCN1C1CCN(CC#CCN2CCC(N3CCCCC3=O)CC2)CC1 551700129 XEVGCIIRXROCHB-UHFFFAOYSA-N 414.594 1.944 30 10 HDEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 587425471 MBMLHWGNPXXPHV-BYCMXARLSA-N 424.379 1.941 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OC)c(OC(F)F)c2)CC1 604169372 ASUHLXNLXXZRJK-UHFFFAOYSA-N 412.437 1.426 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1 609087188 XVPSBHFLIDIXFG-UHFFFAOYSA-N 420.416 1.959 30 10 HDEE COC(=O)c1cccc(CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 609901793 LPJRUSPUDRMAMI-UHFFFAOYSA-N 400.460 1.392 30 10 HDEE N#Cc1cc(CN2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)ccn1 610992236 MNNOVLYCEOEQLE-UHFFFAOYSA-N 414.487 1.621 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2sc(-c3ccccc3)nc2C)C1=O 672211784 KIPCDVUDZZVYCI-MRXNPFEDSA-N 412.515 1.980 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccoc2)c1=O 727417718 JGVHMDSARRDNKJ-UHFFFAOYSA-N 401.488 1.101 30 10 HDEE C#CCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729332348 YACIGGMAWSWSJZ-DOTOQJQBSA-N 408.545 1.704 30 10 HDEE COC[C@H](C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143165 RJMQVIUKJJBIJN-WBVHZDCISA-N 406.552 1.969 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@@H]2CCOC2)C1=O 731560641 WLZBRMICAQXYMB-CZUORRHYSA-N 409.483 1.946 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cncc(C(=O)NC)c2)cc1 731973816 JRNMAYIVDQVXMV-BJMVGYQFSA-N 414.487 1.900 30 10 HDEE N#C[C@H]1CN(C(=O)CCNC(=O)c2cc(F)ccc2Br)CCN1C1CC1 732650707 CITXQVFMTVAGCM-AWEZNQCLSA-N 423.286 1.907 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 743220693 KQMMSUQGEJAAQK-KDOFPFPSSA-N 413.478 1.572 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2scnc2C)c(=O)n1C[C@@H]1CCCO1 743729129 WXKPZOHITVJHSF-JSGCOSHPSA-N 417.556 1.972 30 10 HDEE Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)nn1 743908361 DCQOHGJOGMMGQH-KRWDZBQOSA-N 406.446 1.715 30 10 HDEE CCCN(C(=O)[C@H](C)ON=C(N)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 754277265 XEFSLHCZJXIISF-WFASDCNBSA-N 401.916 1.791 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[C@H]2C1 755201633 DSWGFZGYMOAUSO-FSDCSDTHSA-N 421.519 1.299 30 10 HDEE N#Cc1cccnc1N1CCN(Cn2nc(-c3ccc([N+](=O)[O-])cc3)oc2=O)CC1 755265330 YKNZTFRUEXBMHJ-UHFFFAOYSA-N 407.390 1.458 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)N1CCOc2ccccc21 757061561 WKPGNBLBWANCHZ-INIZCTEOSA-N 420.473 1.591 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCCNC(=O)c2ccccc2)[C@H](C#N)C1 758435745 RYGFDRMOLLLWGD-IAGOWNOFSA-N 415.494 1.865 30 10 HDEE Cc1ncsc1-c1nc(COC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)no1 761022492 FHLXLAYWEVXCFW-UHFFFAOYSA-N 419.444 1.283 30 10 HDEE Cc1ncsc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccon2)c1=O 765145831 OLHZTDMVEJDFFR-UHFFFAOYSA-N 412.496 1.583 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 765170356 NQKYKBHZQIGIDK-LBPRGKRZSA-N 416.571 1.991 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)cc(Br)c2)c1=O 772279873 XIPIHQGCMPNUDP-UHFFFAOYSA-N 418.316 1.416 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 774263367 IIJZNVOOORBWOS-JZXOWHBKSA-N 423.922 1.444 30 10 HDEE C=C(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 777469713 KMOPOUYFLMLEKC-OAHLLOKOSA-N 405.524 1.666 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CC(C)C 782918269 CEPDEIUJLCRZGR-UHFFFAOYSA-N 418.522 1.919 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)c1 784692885 PBDGXULGFILDOJ-AWEZNQCLSA-N 401.492 1.530 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccc(CN3CCOCC3)c2)cc1C#N 787288680 BOMBIZRUHZPNLP-UHFFFAOYSA-N 422.485 1.332 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)n1 790109303 VFSUSPZOIRVEJM-UHFFFAOYSA-N 415.881 1.988 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc2c1OCC[C@@H]2N(C)C)c1cc[nH]n1 790233007 AFLQKLXLGDYJKZ-INIZCTEOSA-N 415.450 1.717 30 10 HDEE C=CC[C@]1(C(=O)NCCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 790559819 KVOHSULZMTYKKE-LJQANCHMSA-N 415.556 1.874 30 10 HDEE Cc1cnn(CCOC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 791480913 FVNLKYKARAYGRK-INIZCTEOSA-N 404.492 1.888 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)OCC(=O)NC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796424085 KDEYRWZEUJEXJA-YOEHRIQHSA-N 401.467 1.214 30 10 HDEE C#CCN1CCC(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)CC1 797582663 LLXDGYDSHPETMP-OAQYLSRUSA-N 420.531 1.330 30 10 HDEE C[C@@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)n1cnc(C#N)n1 798350652 LQXKPYPXEUEIMS-KSSSLANASA-N 414.422 1.703 30 10 HDEE CCn1c(=O)c(C(=O)COC(=O)[C@](C)(C#N)CC)c(N)n(Cc2ccccc2)c1=O 803785150 WCUVJAFXOFIBNH-NRFANRHFSA-N 412.446 1.326 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCC(C(=O)OCC)(S(C)(=O)=O)CC1 804718840 WBBQLFYDBLTWDW-HNNXBMFYSA-N 404.529 1.927 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 805230080 HTYJBCPVMNCCOZ-BMGDILEWSA-N 404.463 1.914 30 10 HDEE CC(=O)Nc1ncc(S(=O)(=O)NC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)s1 805950920 YMSRRUMSRQVLOE-HNNXBMFYSA-N 422.488 1.882 30 10 HDEE Cn1cc(Br)c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1=O 1129338734 LPOAQHQAHGLAPA-GFCCVEGCSA-N 403.236 1.708 30 10 HDEE N#Cc1cccc(OCCCCC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)c1 1131030802 NFUBDKNLDYOCDU-QGZVFWFLSA-N 405.462 1.940 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1136764426 ZXAFXTKNKMRSAC-KBPBESRZSA-N 402.517 1.114 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 1137729552 ZAQNOWIRXMBNIB-UHFFFAOYSA-N 416.434 1.116 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1151072373 VAVJDUBNQZCQPK-OAHLLOKOSA-N 411.499 1.609 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)co1 1156040421 QPIUDVOWZFRBCS-UHFFFAOYSA-N 408.867 1.707 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1158733575 ITMNODPBLOCFRT-CVEARBPZSA-N 410.492 1.366 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1 1160879305 ARTPHRGZOKTTMY-HXUWFJFHSA-N 406.504 1.792 30 10 HDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N3CCC(c4ccc(C#N)cc4)CC3)[nH]c21 1179393605 BWABOYOJZIBBBV-UHFFFAOYSA-N 406.446 1.573 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](Cc2nccs2)C1 1180384222 WQXNYEPNJONRNA-CYBMUJFWSA-N 404.517 1.663 30 10 HDEE COc1ccc(Cl)c(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1189868927 JGPPLKATIOFQDZ-UHFFFAOYSA-N 405.838 1.934 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCC[C@@H]2CCNS(C)(=O)=O)c1 1190399014 GKPMPYWDILESFY-QGZVFWFLSA-N 406.508 1.110 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(=O)N4CCOCC4)c3)CC2)cn1 1214693440 FSTHAXGHDSIHNT-UHFFFAOYSA-N 420.473 1.780 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N[C@@H]1CCc2cc(C#N)ccc21 1227840748 DCKXXDYFGLGWRO-LJQANCHMSA-N 414.487 1.913 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1230716822 MCSIUFCLHGXKJB-HOTGVXAUSA-N 420.539 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)N1CCSCC1 1286285006 HXWSXYLRUNBRCT-AWEZNQCLSA-N 408.553 1.110 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1286311796 MOROXZHQASUQQX-UHFFFAOYSA-N 400.527 1.800 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2cncn2)CC1 1286358044 GGTPHNIEEDYKKK-OALUTQOASA-N 413.526 1.924 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286384621 JCRQUGVYWXPNCE-GQIGUUNPSA-N 408.568 1.753 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1286387473 RHUUUCQSOZSJBK-MRXNPFEDSA-N 400.504 1.405 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(C)CN(C)C1=O)[C@@H]1CCS(=O)(=O)C1 1286390538 AQALMLCBYIYOJG-OXQOHEQNSA-N 419.551 1.041 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286699405 BYCCADLHBCRUNZ-RDJZCZTQSA-N 404.540 1.323 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)c1ccccc1 1286728167 OKGZANAEHKXDOT-UHFFFAOYSA-N 412.519 1.865 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1286788529 YCEJLJALFMXGPE-IIBYNOLFSA-N 419.526 1.249 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccc3)CC2)nnc1C(C)(C)C 1286793000 OMKFZRJOBHIHMW-UHFFFAOYSA-N 410.522 1.840 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)Cc2cccc(C(N)=O)c2)nnc1C(C)(C)C 1286825385 QJNWXWKSSFFYHD-UHFFFAOYSA-N 419.551 1.912 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCOC1 1296534960 BXEQYQPUVIMFOB-GCJKJVERSA-N 424.505 1.717 30 10 HDEE Cn1cnc(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)n1 1298865482 CCPGXRLEYKKGIB-SFHVURJKSA-N 400.393 1.615 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc21 1300271468 HNTSLTGKRGMNOK-RRFJBIMHSA-N 403.508 1.522 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1300430383 LGTRDFNHDDWJTC-CYBMUJFWSA-N 409.487 1.292 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC[S@@](=O)C(C)(C)C 1300473036 NCYGJCBTITZARQ-HHHXNRCGSA-N 407.565 1.886 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300492684 ONQOUMHNLLORGG-RTBURBONSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300495196 FHESOPXOSAFOPV-FUHIMQAGSA-N 424.567 1.553 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnnn1C 1300578066 GQXPIWUURJJRQF-LJQANCHMSA-N 403.446 1.430 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nncn1C 1300653100 IUTRVAILAUSNBR-HNNXBMFYSA-N 413.457 1.820 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)COCCO1 1300819861 WLPYNLYXTBZFNO-ZCLUNYJNSA-N 404.511 1.800 30 10 HDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1301257493 AHQYHZOAGXPZQC-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C3CCC2(C)CC3)n1Cc1ccc(C#N)o1 1303819938 LHTBPIPIKXLNPK-ZVLZOBCMSA-N 404.496 1.923 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1307872267 LOYDATQFEUQRJR-IBGZPJMESA-N 419.547 1.059 30 10 HDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1309542013 GIWMAUBFRNOZHT-STQMWFEESA-N 421.397 1.620 30 10 HDEE C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1312763157 JGALIJADHRTEAU-GLJUWKHASA-N 414.528 1.260 30 10 HDEE CCNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1313999515 LUCCNHAPIOTFMR-UHFFFAOYSA-N 420.477 1.628 30 10 HDEE CCOC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1314440875 CKQSTYLXGOSABZ-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CCC(CC#N)CC1 1314551513 KCFIQAMYKCOGKY-UHFFFAOYSA-N 419.555 1.743 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1316061214 HTKNIVKIYWWOJB-HXUWFJFHSA-N 401.467 1.617 30 10 HDEE C=CCO[C@H]1CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1326595262 GAYQBJIUQMSLIF-ROUUACIJSA-N 403.479 1.791 30 10 HDEE COC(=O)[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(C#N)cc1 1329334460 ZIJYPVMOWVAOHL-WFASDCNBSA-N 407.473 1.925 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCC([C@@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1332949558 HWMNZXJBPJGTAW-UCTAPSKPSA-N 401.551 1.827 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1358911747 CDQRMWMTDUXLNE-GOSISDBHSA-N 411.510 1.910 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)c1ccccc1 1358949008 QSKGBBYMHSBYIK-QGZVFWFLSA-N 401.536 1.776 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(CC(C)C)C1 1358981694 UGEXVLLSVYPCDK-FQEVSTJZSA-N 410.566 1.841 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC[C@@H]1C 1358984235 NHDWPGFPOKXCAQ-SFHVURJKSA-N 414.554 1.380 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@H](C)C1 1359133276 OLGHIMLNLXFVLW-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)CC1 1359179398 UMVLCMAZHUVMGT-CQSZACIVSA-N 408.553 1.791 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359198650 WOEOCSRDAAOBLD-HRCADAONSA-N 424.571 1.492 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359215036 SLECSESMRLLCKZ-SJORKVTESA-N 415.542 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359331468 AFHHTLXIDZQYLH-HOTGVXAUSA-N 407.540 1.251 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)nnc1C(C)(C)C 1359346201 FHCSMAMRVORMBZ-CQSZACIVSA-N 406.556 1.968 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)NCc1ccccc1 1359465481 DCWPHEPEEKHQPB-MRXNPFEDSA-N 411.510 1.719 30 10 HDEE N#Cc1c(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)nc2n1CCS2 1360154640 DPLWELUJDUQONS-UHFFFAOYSA-N 420.357 1.846 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1360475476 AZRLGICSFGQYBH-NVXWUHKLSA-N 424.509 1.247 30 10 HDEE C#CCCOc1ccc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)cc1 1360970291 IGWCQFCHTVZRRU-UHFFFAOYSA-N 416.503 1.405 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O 1434957688 ZKCNGKNDVCPLLB-UHFFFAOYSA-N 413.437 1.830 30 10 HDEE COc1ccccc1-c1nnc(CC(=O)N2CCN(c3ncccc3C#N)CC2)o1 1440760573 HOHQHJOXOHLRIM-UHFFFAOYSA-N 404.430 1.903 30 10 HDEE C[C@@H]1OC(=O)N[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1441893512 QMNZDNRGEJDGKC-BLPHOIGOSA-N 408.480 1.715 30 10 HDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(C#CCO)c2)CC1 1455641142 QERDBFCQVRSHOP-JOCHJYFZSA-N 405.498 1.146 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c1 1457166446 ABQYEBRBKDDPGJ-SJKOYZFVSA-N 407.442 1.917 30 10 HDEE COc1cc(CCNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc(OC)c1 1457310970 HTRIEOLPRCDLDX-UHFFFAOYSA-N 402.472 1.849 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2C2(O)CC2)CC1 1460211462 NRTWWVSHGIDORC-PMACEKPBSA-N 400.498 1.914 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H](C(=O)OC)c2ccccc2OC(F)(F)F)CC1 1460791014 STOLHTZIKOPURR-QGZVFWFLSA-N 413.396 1.166 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)nc1 1464041277 DXLZJBNWNIJGBH-UHFFFAOYSA-N 412.469 1.678 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1464389734 ZCHGDODSTNFJTC-VIFPVBQESA-N 410.261 1.980 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 1464602701 DVDAWEFFLIMNTD-UHFFFAOYSA-N 414.531 1.735 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)s1 1467778290 GJUSBRCAUOJJKT-GFCCVEGCSA-N 417.553 1.784 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1468503856 ISXMOIDVZCWTJU-KRWDZBQOSA-N 406.914 1.716 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)ccc1OC 1468772364 BLSIQGIQLRCOTQ-HBGVWJBISA-N 405.495 1.899 30 10 HDEE N#Cc1cccc2c1CN(C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C2 1469689464 AHGKICQCWKZGEB-UHFFFAOYSA-N 400.416 1.677 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NC4CC(CC(N)=O)C4)CC3)n[nH]2)cc1 1471313566 VRQXHBKRHXUBHK-UHFFFAOYSA-N 407.478 1.434 30 10 HDEE CN(C)C[C@@]1(O)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1471373595 LRHKOMYLNYRFIW-IUTMSDBMSA-N 406.527 1.298 30 10 HDEE Cc1c(C#N)c(=O)n(CCOc2cc(F)cc(Br)c2)c(=O)n1CCO 1473079785 YRTXLRZATIEBNP-UHFFFAOYSA-N 412.215 1.163 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc3cc(Br)ccc3o2)CC1 1474681546 JWMKZANWEIHMPX-UHFFFAOYSA-N 412.309 1.781 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccc(Cl)cc3)CCC2)CC1 1477751781 IYHIDCCIKGLPEA-UHFFFAOYSA-N 424.954 1.557 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N 1505013921 ACUKRDLMJPWCJZ-GDBMZVCRSA-N 413.482 1.436 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCS(=O)(=O)C1 1507547454 LNDGGBSOFLGZFN-QZWWFDLISA-N 410.540 1.285 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507630303 WMUVLBPUQGAJSD-UZLBHIALSA-N 417.535 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN1CCSCC1 1507651116 CFQVXVDETYNDOV-UHFFFAOYSA-N 409.559 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H]1C(=C)C 1507659820 GISXBWYXQAHGEU-KSZLIROESA-N 419.551 1.332 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCSC2)CC1 1507716361 QFRGGGZVISYKMP-QGZVFWFLSA-N 402.568 1.413 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCOCC2)CC1 1507726168 GKMVBWNQNYDODO-UHFFFAOYSA-N 420.517 1.911 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507935145 LGNKPIHAKSJUEJ-ZWKOTPCHSA-N 402.543 1.744 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2COCCO2)C1 1508111548 ZTNGCIBKGOCSPA-SJORKVTESA-N 407.515 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1508122168 HUHNCDAEZVMKRA-ROUUACIJSA-N 412.494 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1C(C)(C)C 1508149272 SSDIYUWLFYUSEU-CQSZACIVSA-N 424.527 1.446 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCc1ccco1 1519280465 WHHHQLPPYCUCIQ-KUHUBIRLSA-N 420.445 1.353 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1536900738 FUXYVNAGRLSGHF-UXLLHSPISA-N 420.487 1.331 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1537400511 VMXFZWJWFSPEOY-MRXNPFEDSA-N 406.504 1.592 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1539058202 COAFYTHDYNNPNV-UHFFFAOYSA-N 400.508 1.606 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1539155468 VXNUMKSKJDDFLN-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539230410 HGIUJNZVAAIUHT-WNRNVDISSA-N 406.552 1.878 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1539284502 PWLUJEKWEGCVKC-WMZOPIPTSA-N 411.510 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCCC 1539333471 DVLCDDRPMNVQOG-UHFFFAOYSA-N 404.474 1.718 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc2c1OCO2 1539392609 UEOBBZWIYDEUQQ-UHFFFAOYSA-N 411.462 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1539480503 AMDWHPGPSREECF-JOCHJYFZSA-N 417.554 1.638 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1539520721 SSPGSRHQROPFRK-HXUWFJFHSA-N 412.519 1.661 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1539962868 FYOGCUCGUUNNBS-HOTGVXAUSA-N 401.515 1.626 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1540080886 PQYBUXNVUYLUFH-UHFFFAOYSA-N 403.556 1.420 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCN(C)C(=O)C2)cc1 1540878428 XJVNCGSBZLXHRO-UHFFFAOYSA-N 405.462 1.627 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1540917313 SDHUDGIHONQJIW-OAHLLOKOSA-N 417.539 1.288 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540923607 JDFSFTNXZYVKBX-ZOBUZTSGSA-N 409.556 1.588 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1541732933 IWQMUPAKYMVHFT-UWJYYQICSA-N 419.526 1.743 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1543463726 VAAKVRDAMWYUEQ-JFIYKMOQSA-N 408.520 1.643 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C(=O)OC 1544351605 HOYMSDCRLBEAFW-GOSISDBHSA-N 424.519 1.720 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n[nH]1 1544477502 XQSLPGFPGPRFLW-INIZCTEOSA-N 419.530 1.735 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@H](C(F)(F)F)C2)s1 1544629835 CJRNBASSMBWPKM-JQWIXIFHSA-N 412.455 1.933 30 10 HDEE COCc1nc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1555324756 GULCWRMVCLNGFI-QGZVFWFLSA-N 402.459 1.772 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)cc2)CCO1 1555993468 OTMUIJXTNRPAMH-INIZCTEOSA-N 423.864 1.869 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1555994070 FFNPXCPTOYGYIN-HNNXBMFYSA-N 409.475 1.201 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N(CCOC)c2c(O)nc(=O)n(CCCC)c2N)C1 1559939202 KBYBUIOOOGRQBJ-MRXNPFEDSA-N 419.526 1.046 30 10 HDEE C#CC[C@@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1570221631 RGLVAVNQRPYFHE-CQSZACIVSA-N 405.455 1.145 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3cccc(CC#N)n3)CC2)c1 1583313658 CYXXYGUSHXPJKE-UHFFFAOYSA-N 413.503 1.547 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1583811280 BEFNEVWXMUABJV-IBGZPJMESA-N 403.442 1.747 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CC1 1584296565 KKJMAZLENRKQBA-UHFFFAOYSA-N 408.418 1.937 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@@H](C)O1 1585139418 WGBGINTWZUCVFE-MQJTVSLUSA-N 403.504 1.311 30 10 HDEE CC[C@H](C#N)N(C)C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1586123523 CFQAWOUCLDFWQY-CQSZACIVSA-N 420.491 1.530 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1587749759 MRTPDJADPVDLMP-UHFFFAOYSA-N 413.526 1.461 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCCCC2)C1 1587856590 NNLAAMHWLHOLRG-RTBURBONSA-N 419.595 1.906 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1588276603 RXHGSWDLYPQRIO-UHFFFAOYSA-N 414.329 1.930 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)c2cccs2)CC1 1588947376 PQLUSIIUWAZKDZ-UHFFFAOYSA-N 414.535 1.298 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1589097511 RGAMZPOFPHKARE-UHFFFAOYSA-N 418.567 1.171 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)C2CC2)CC1 1595500725 CVZAULWNKZSKEP-UHFFFAOYSA-N 412.494 1.597 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccco2)CC1 1595529999 PDVPRCDYQKNGQP-UHFFFAOYSA-N 409.450 1.131 30 10 HDEE Cc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1CCN/C(O)=C1/N=CC=CC1=O 1612539118 HSLWOABIOJJVAR-ZPHPHTNESA-N 410.482 1.663 30 10 HDEE CCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@H](C#N)C1 1617191456 OYYSILZALDQVSL-KRWDZBQOSA-N 412.498 1.217 30 10 HDEE CCCN(C(=O)COc1cccc(Br)c1C#N)[C@@H]1CC(=O)N(C)C1=O 1617552681 LFTUAOAYQCZTEJ-CYBMUJFWSA-N 408.252 1.695 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccn(C3CCOCC3)n2)cc1 1618009133 ZJTKMOPZNGAKPN-UHFFFAOYSA-N 403.464 1.679 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1Cc1ccc(C#N)o1 1620023402 RGJUHJMFJKNZRB-GJZGRUSLSA-N 414.466 1.326 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1620130456 KLCWDCGHXSDNQC-UFOSLELVSA-N 411.466 1.035 30 10 HDEE Cc1ccc(C(=O)NC2(C(=O)NCC3CC3)CCCC2)cc1S(=O)(=O)NCC#N 1620693322 ZABFBGXGDLRMRE-UHFFFAOYSA-N 418.519 1.366 30 10 HDEE C=CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)c1ccccc1 1625609994 JNFBAKZMYLKCKQ-UHFFFAOYSA-N 407.879 1.936 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CS(=O)(=O)C[C@H]2C(F)(F)F)c1 1626149861 JKIUFTFSDWUQBY-UONOGXRCSA-N 402.394 1.288 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCN(C)CC1 1626637731 SLKDPOTYMJPKNW-UHFFFAOYSA-N 420.531 1.568 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(O)c(S(=O)(=O)NC)c2)c1 1627168872 IKKRJJLFIYMDOW-UHFFFAOYSA-N 422.484 1.350 30 10 HDEE C#CCN1CCCN(C(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)CC1 1628354888 PXQWZIFGHBVTLO-UHFFFAOYSA-N 408.524 1.050 30 10 HDEE COC(=O)CN(CC#N)C(=O)Cc1sc(N2CCOCC2)nc1-c1ccccc1 1629734831 KIRKSPDRQYNLTA-UHFFFAOYSA-N 414.487 1.714 30 10 HDEE CC(C)(CNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@]1(O)CCOC1 1634919391 ZMHSZCUVYDSWFH-UWJYYQICSA-N 400.479 1.136 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1635439858 ZLWYRLFRQGYFBH-PFUSGODGSA-N 421.500 1.917 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](CO)C[C@@H](OCCOC)C1 1635550054 DWVLMVYHSVIJME-OAGGEKHMSA-N 420.934 1.895 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1 1637344428 ZCNYJLXTWVMJEH-UHFFFAOYSA-N 402.398 1.796 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(CO)c2ccc(O)cc2)s1 1639168992 ROHCOTUOKJRYFX-SFHVURJKSA-N 410.517 1.484 30 10 HDEE Cn1c(N2CCc3cccc(NC(=O)OC(C)(C)C)c3C2)c(C#N)c(=O)n(C)c1=O 1640546635 QRTHVNZOIVNJSW-UHFFFAOYSA-N 411.462 1.865 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1CNC(=O)c1cnn(C)c1 1640668251 GMUDTDJBZBIZHV-INIZCTEOSA-N 410.478 1.363 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2nc3cc(Br)ccc3o2)c(=O)n1CCO 1641368314 BIADJOCFNZRHCQ-UHFFFAOYSA-N 405.208 1.134 30 10 HDEE C[C@H](C#N)N(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(C(F)(F)F)c1 1643522873 HGNDEDSRWQXGOA-LLVKDONJSA-N 423.395 1.282 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(N(C)C(=O)NC)cc2)c1 1643669422 UKTJBOILIIDSNT-UHFFFAOYSA-N 400.460 1.626 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)NCC3(C#N)CCOCC3)ccc2c1=O 1648678412 BRPPLKJLZSRTMS-UHFFFAOYSA-N 416.503 1.772 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)CC1 1650951414 CQTILTKDRRVGJA-UHFFFAOYSA-N 415.309 1.395 30 10 HDEE C#CCC1(NC[C@@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CCOCC1 1654834487 RHEBHTSMUFJQID-GOSISDBHSA-N 413.474 1.561 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1663080812 IEIHNANVNGBRKI-SECBINFHSA-N 409.277 1.899 30 10 HDEE CCOC(OCC)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1676924262 YPQACSCNTBRVFM-HNNXBMFYSA-N 424.523 1.362 30 10 HDEE Cn1cc(CNC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)c(-c2ccc(C#N)cc2)n1 1680014062 MQIQJVULSNDLHH-HXUWFJFHSA-N 408.506 1.699 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1681287581 KKFDMNIZUPPFDS-CQSZACIVSA-N 401.492 1.677 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H](CC)NC(=O)OC(C)(C)C)n1 1682542937 JITOQYFPMVEHGX-INIZCTEOSA-N 407.515 1.978 30 10 HDEE C#C[C@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(Cl)cc1F 1683688670 GEOJYISLLXNJIR-ZDUSSCGKSA-N 409.892 1.510 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCOc2ccc(S(=O)(=O)C(F)(F)F)cc2)CCO1 1685726961 GVMBYVHNXIIUFG-HNNXBMFYSA-N 421.397 1.683 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1689827005 YFVDLUCCWIOJGH-ZMSDIMECSA-N 408.572 1.363 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1689854513 BKWNCGCEAFFBIA-PMACEKPBSA-N 409.582 1.995 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1689968705 CQZDDPNJEWFXCP-UHFFFAOYSA-N 410.503 1.223 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCC2(C1)OCCO2 1690001674 PQHYUOBQACNRKV-ROUUACIJSA-N 402.495 1.618 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)CCCO1 1690006772 ZOUCOJJNSRXXFQ-OAQYLSRUSA-N 412.515 1.991 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCc2noc(CC)n2)CC1 1690137230 QYCODICUWAZDLM-OAHLLOKOSA-N 413.526 1.946 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCCOC2)C1 1690180945 NTLXHYNWMAEKRR-HXUWFJFHSA-N 403.552 1.774 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CC1(O)CCS(=O)(=O)CC1 1690201721 VUJJMTGLPDUYLJ-GOSISDBHSA-N 403.508 1.205 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690224080 AKLRDZYIZTULNU-TZMCWYRMSA-N 422.283 1.609 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1 1690237144 VZOJEUTYVWYLQF-ZWKOTPCHSA-N 416.526 1.164 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)C(C)(C)C)C1CC1 1690537364 NJOYWZMWYBPPIS-CYBMUJFWSA-N 412.560 1.205 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ncn(C)n1 1690624416 QRBUPYSJLMYDSJ-UHFFFAOYSA-N 407.482 1.332 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690674717 CHJJXIOQSPHIDV-KRWDZBQOSA-N 410.478 1.006 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1692423771 GCVJAMPHQKFSIR-UHFFFAOYSA-N 405.510 1.772 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC1(F)CCC1 1692782267 JLTRGZNOZMSMNB-LRDDRELGSA-N 402.471 1.613 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCS(=O)(=O)C2)c1 1697505629 DEAXDJBFVOWVTR-KUHUBIRLSA-N 419.507 1.099 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1705497949 KTMWZZUYFKTJLK-DNTCVELPSA-N 405.462 1.248 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1705601868 YCUSBSRFKVVPFF-QHCPKHFHSA-N 416.485 1.670 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1705659279 QFTYTBAAXWOLPI-GDBMZVCRSA-N 416.551 1.091 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N[C@@H](C)CC 1705668922 XCIAXHFKAXLSHG-QMTMVMCOSA-N 424.571 1.185 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1705695055 VANDSJHYUJUMCN-JONQDZQNSA-N 410.544 1.608 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705698127 PUTXYFPYAHBUFB-UYAOXDASSA-N 402.543 1.312 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705751154 BRJKTKIEQLOGIW-LJQANCHMSA-N 415.885 1.907 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1705830395 OKNHKPNVEHXOSW-GOSISDBHSA-N 413.526 1.800 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1Cc2ccccc2C1 1705894287 TYXMOMFNHRWCDA-UHFFFAOYSA-N 408.506 1.420 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](COCC)C1 1705894782 LDGXRIOCNWWOOP-HNNXBMFYSA-N 413.482 1.090 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCn2ccnn2)CCOC1 1706669111 JGWDMSPJIHZDAN-FQEVSTJZSA-N 414.514 1.740 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)CC1 1706937276 HVFODOIQZZSWHE-HZPDHXFCSA-N 405.524 1.655 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1709901000 QFJQLZUPMJHCRF-DLBZAZTESA-N 407.478 1.010 30 10 HDEE CCOCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1710627407 GXUNIGJIVSHPDA-KSSFIOAISA-N 413.519 1.685 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC2=CCCOC2)cc1 1711885440 SCUIRNFQABPWJY-LJQANCHMSA-N 411.462 1.941 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C(C)(C)C)no1 1712455179 RVLYJGCRYAGECI-OAHLLOKOSA-N 415.498 1.929 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCC1CCOCC1 1712647475 AGWVQGRAGKOPBY-KSZLIROESA-N 405.499 1.548 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722322872 WVOFIBOTIHRQLJ-INIZCTEOSA-N 401.515 1.166 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCCC1 1722397797 URYYRGRFUIJDMF-GOSISDBHSA-N 418.563 1.992 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1722458173 WVKBTBFXPUHTGK-INIZCTEOSA-N 414.539 1.085 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCOC1 1722468805 QBNLDZKGPJJEBI-HKBOAZHASA-N 404.511 1.462 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c(C)coc2C)C1 1722711798 WSEPVSATTIGNNY-GOEBONIOSA-N 423.539 1.928 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1729307900 HXQKXPYARMUIBO-WMZOPIPTSA-N 410.478 1.575 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@@H](O)C1 1740531389 KXCCLTXSESBEPE-YLJYHZDGSA-N 424.549 1.489 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1740625414 QKUUSVGPWSLMRO-QGZVFWFLSA-N 419.576 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)OCCCO2 1740629504 QAQZOIKBHYDOCS-UHFFFAOYSA-N 419.485 1.797 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ccn(C)n1 1740676160 ULBQHRLJDQRGPR-UHFFFAOYSA-N 409.469 1.977 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740959758 DPSJBDPSRZAZBI-IRXDYDNUSA-N 416.526 1.066 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)N1CCCC1 1741131686 HBNZKOYFFIRTMS-KURKYZTESA-N 422.599 1.896 30 10 HDEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1741751578 YNUWILRFHQYMHU-CJNGLKHVSA-N 402.496 1.145 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1743361518 CJDSAFJDUCENHG-HOTGVXAUSA-N 411.510 1.238 30 10 HDEE CC[S@](=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1747457481 MALQOJHFJOHJLS-PMERELPUSA-N 423.502 1.644 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1748759317 GDDOODRTQDSACJ-FQEVSTJZSA-N 412.519 1.542 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc(Br)cn1 1748765640 OLRIFWMZLJIMEW-UHFFFAOYSA-N 422.331 1.925 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748811509 IDJCZQBEQPLKGN-IAGOWNOFSA-N 417.535 1.782 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1748815287 OGEVVYGWYBUYCX-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1748818479 ZXDCHNMAXXIDCN-JKSUJKDBSA-N 404.492 1.358 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(F)c1 1748826744 ZXKFDRQDCCASCM-ZDUSSCGKSA-N 407.446 1.288 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1(CC)CCOCC1 1748968741 JSVTXNOPLBCPAL-UHFFFAOYSA-N 403.527 1.693 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[C@@H]2C)CC1 1748979958 UVIQCHHONMWQQH-FUHWJXTLSA-N 413.547 1.760 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1749103890 GOMAPSDIZLBSBF-OLZOCXBDSA-N 419.345 1.704 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1750070697 UMUWPEPDOKNXRE-LSDHHAIUSA-N 415.498 1.322 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)C 1750986129 AXEHBBKFCRTPCC-UHFFFAOYSA-N 411.510 1.550 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCCS(C)(=O)=O)C1 1751276171 ACQFYCYELJEOCY-IBGZPJMESA-N 402.524 1.829 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCN1CCN(C)C(C)(C)C1 1760100654 XNOSNALDQDLKQX-ROUUACIJSA-N 406.575 1.486 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C 1760142687 JWQBNBABGVUZNQ-UHFFFAOYSA-N 402.543 1.953 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1760189216 SMROOZKJZQGEEB-UWVAXJGDSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1760263102 NXHFSKMYQLPRPP-UHFFFAOYSA-N 424.524 1.484 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760346266 QCZMMTQHWBJYOL-APWZRJJASA-N 409.556 1.057 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760353274 MFPSIQHMOWSTGR-UHFFFAOYSA-N 412.538 1.748 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCCS1(=O)=O 1760459806 GFFWQTLONIFTRJ-UHFFFAOYSA-N 419.507 1.374 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)C1 1760533872 OHLMVXARDZJKLT-IERDGZPVSA-N 416.526 1.209 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CCOC)C1 1760556028 STKDFDAPXCTEJJ-DLBZAZTESA-N 412.556 1.636 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCC[C@H]2C)CCOC1 1761291537 LSSSODNZKIGAPB-LVCYWYKZSA-N 418.542 1.532 30 10 HDEE CCOCc1nnc(N2CCSC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766447241 ZKIPYSFRJXPKPN-WUKNDPDISA-N 420.539 1.673 30 10 HDEE CCN(CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@](F)(C#N)C1 1766691733 MMWORIFUVCAWNH-LJQANCHMSA-N 404.494 1.479 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1766848219 DMKGVGMODBQJRM-KRWDZBQOSA-N 418.461 1.214 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(CC#N)CC1 1768285750 KOSJXHYRSOAUTJ-KRWDZBQOSA-N 424.571 1.632 30 10 HDEE CNC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1769357180 FTMLWBPTYRIHDW-OAHLLOKOSA-N 413.482 1.225 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C)C1=O 1848798543 LKPOHZDKKYFVMI-KRWDZBQOSA-N 407.536 1.508 30 10 HDEE N#CCCN1CCN(C(=O)c2nc3ccccn3c2I)CC1 1851222940 QQASIWCKSGFLFH-UHFFFAOYSA-N 409.231 1.610 30 10 HDEE COc1ccc(O[C@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc1 1853067876 IANKZIIGBKWYIN-OAHLLOKOSA-N 420.473 1.991 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cccc(N3CCNC3=O)c2)CC1 1853309578 YUQGFMRKBNENGJ-UHFFFAOYSA-N 420.473 1.462 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2nc(C)no2)C2(C)CCN(C)CC2)CC1 1853414449 PSOFKEJDQLPDDW-UHFFFAOYSA-N 411.528 1.968 30 10 HDEE Cc1nc(CN2CC[C@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)co1 1853665714 ZYBHMPLJHAKGFS-FQEVSTJZSA-N 407.474 1.343 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC5(COC5)C4)ccc32)cc1 1853875758 DLFQAMYAGSAZEM-UHFFFAOYSA-N 423.450 1.309 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1854032617 ZINHXOXSBDWUHQ-RBUKOAKNSA-N 417.531 1.517 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCC2 1854439068 HKQVNFMHYQFNBO-IAGOWNOFSA-N 424.567 1.476 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)Cn3cccc3)C2=O)CC1 1854744542 VHGSATYPEKXESX-LJQANCHMSA-N 406.490 1.485 30 10 HDEE Cc1nc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c2ccccn12 1854950178 QFKNRXVUPYZWJI-FUHWJXTLSA-N 408.506 1.694 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C(=O)C2)C1 1855074251 QCKMUYFGCGWQRI-IBGZPJMESA-N 409.490 1.086 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cncc(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855735621 PWNWSDDOKQGMGS-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE C[C@H](Oc1ccccc1F)C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855802169 BZPFMNDOFZAINL-ZDUSSCGKSA-N 417.418 1.826 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3sccc3F)C2)CC1 1855887371 BOUOQNTUGIJOKV-AWEZNQCLSA-N 413.478 1.965 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3noc4ccc(F)cc34)CC2=O)CC1=O 1856029220 HCDFBYLMGDJWAP-ZDUSSCGKSA-N 400.410 1.172 30 10 HDEE CC(C)(C)CC(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856098518 JGOZSQRJAUGYQZ-LJQANCHMSA-N 410.518 1.922 30 10 HDEE CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856234155 KWRNZMCGGHNFOQ-UHFFFAOYSA-N 401.419 1.976 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCOC4)C(=O)C3)C2)s1 1856326194 DCMIRUYODYPVJA-HOTGVXAUSA-N 402.520 1.291 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2cc(F)ccc2F)C2(CCCCC2)C1=O 1856421907 OIGDHSVVEUDBOE-UHFFFAOYSA-N 411.430 1.941 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)C2=O)ccn1 1856470695 QYSIUSGNTQJJLW-MOPGFXCFSA-N 424.482 1.243 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1856538882 RVABJXOFLMTOIX-QZTJIDSGSA-N 409.490 1.720 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cncc(OC)c2C)C1=O)[C@@H]1CCN(C)C1=O 1856735008 CJCRLANOFNYMPX-DLBZAZTESA-N 400.479 1.249 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CCC(COc4cccc(C#N)n4)CC3)C2=O)no1 1856975997 ROPWTYMGSRCHGN-GOSISDBHSA-N 409.446 1.782 30 10 HDEE CN(CCC(F)(F)F)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1857460969 IPSKTJNOROOGOA-UHFFFAOYSA-N 403.382 1.979 30 10 HDEE COc1cccc(C(=O)C2=C(O)C(=O)N(CCO)[C@@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862706477 XRFYXYGXUAVSIO-QGZVFWFLSA-N 414.370 1.880 30 10 HDEE C#CCOc1cn(CCN(C)C)c(CN2CCN(c3ccccc3OC)CC2)cc1=O 1870563871 RKQFVEGFYUPXBQ-UHFFFAOYSA-N 424.545 1.753 30 10 HDEE C=CCn1c(C(=O)NCCCCCO)cc2c(N3CCC(C(N)=O)CC3)ncnc21 1873592988 AFZRBCPYJRSJDW-UHFFFAOYSA-N 414.510 1.211 30 10 HDEE COc1cccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874337880 KYWNGQWCFJONRF-SLSPDHCBSA-N 416.507 1.471 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccc([N+](=O)[O-])c3F)CC2)CC1 1891176836 YOVKSVAHIXKEGF-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE C#C[C@H]1CC12CCN(S(=O)(=O)c1ccc3c(c1)c(=O)n(CC)c(=O)n3CC)CC2 1891430355 FSBIXWXROOJTHJ-HNNXBMFYSA-N 415.515 1.627 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)CCCOc2ccccc2)C1 1891735966 AIDCDIBZCPYXJZ-KRWDZBQOSA-N 402.476 1.990 30 10 HDEE C[C@H](O)CN(CCN=C1CN(C(=O)OC(C)(C)C)CCN1)C(=O)OC(C)(C)C 1955811982 ZUVBGOCJHSMUBB-AWEZNQCLSA-N 400.520 1.843 30 10 HDEE CN1CCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)[C@H](C#N)C1 1964950381 DTTUHWHWHYVUNA-RTBURBONSA-N 415.538 1.678 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)[C@H]1OC 1994690654 ICEBIVQSYFLILQ-MCIONIFRSA-N 414.308 1.383 30 10 HDEE C#CCn1ncc(NCCOCCNC(=O)OC(C)(C)C)c(Br)c1=O 2043983342 VYKROJMSOPXRGM-UHFFFAOYSA-N 415.288 1.592 30 10 HDEE Cc1cc(C#N)c[nH]c1=NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2112284218 FQFFCJOLTRYUCL-IBGZPJMESA-N 416.434 1.450 30 10 HDEE COC[C@@]1(CNS(=O)(=O)CC2(C#N)CC2)CCCN(C(=O)OC(C)(C)C)C1 2174776892 BILFDFSNAIKTJD-GOSISDBHSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2174787404 TUTTZDYVQVHGDC-VXGBXAGGSA-N 414.450 1.760 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174788598 HAPGKNCHUJHFKS-CIICLBFASA-N 420.557 1.479 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)C(F)(F)F 2180829069 LOZZBBCWZYDFAO-MYINAIGISA-N 404.229 1.615 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(=O)O)C1 2217434843 AVGBHTBNTNZWBR-UHFFFAOYSA-N 419.287 1.867 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243401259 OOROWQFYQVFZDV-KBPBESRZSA-N 403.288 1.776 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CC1 2243403186 SYLRPENZPBINMZ-UHFFFAOYSA-N 406.292 1.402 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCCO)Cc1ccccc1 2243426028 UIXNEXYUVXMEKW-UHFFFAOYSA-N 400.288 1.139 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 2243426301 WSCZMIGULRHRRY-ZIAGYGMSSA-N 405.304 1.720 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243436215 DMFJXJDBMWHDHM-QPSCCSFWSA-N 410.320 1.813 30 10 HDEE CNCC[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353731 MRAIMPQBJHBHDS-JTQLQIEISA-N 408.782 1.977 30 10 HDEE CN1CC(N(C)S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267703858 CYEVCNGYBSURLR-UHFFFAOYSA-N 406.766 1.635 30 10 HDEE CN(c1ccccc1C#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270509192 ORQVUWVWGRBAQE-MRXNPFEDSA-N 417.443 1.704 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3(O)CCNCC3)c2Cl)OC1(C)C 2281937155 WGLXWQXXCJKFBA-UHFFFAOYSA-N 400.737 1.545 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H]3[C@@H](O)CO)sc2Cl)OC1(C)C 2281964889 DVDSHAWUYHUPGX-RYUDHWBXSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](F)[C@@H]3CCOC3)s2)OC1(C)C 2282328912 FGSPNMBAFGBWRL-VXGBXAGGSA-N 405.322 1.700 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@](C)(CO)C3)s2)OC1(C)C 2282423938 VMGQADPYAQOJFH-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H](N)C3CC3)ccc2Cl)OC1(C)C 2282492700 SHZYUZUEINOALP-HNNXBMFYSA-N 400.737 1.655 30 10 HDEE CN([C@H]1CCOC[C@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504875 VTEJOVYSZASPFT-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=[S@](C)(=O)N3CCOCC3)c2)OC1(C)C 2282586650 BEPSXDKPOMOLSJ-SANMLTNESA-N 400.331 1.533 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282620464 FUCOBVPKKLVZFZ-MNOVXSKESA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@]2(C)CO)OC1(C)C 2282828586 QWXVSYLCXDSPNH-KRWDZBQOSA-N 401.721 1.785 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@H](O)CC1 2282833427 XIBJSUIDQFPQQM-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)S1 2282840316 GBWHKCAOPSVHBY-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC[C@H](O)CN(C1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848800 SABMYIUZJDBBON-AWEZNQCLSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@](C)(=O)CC2CNC2)OC1(C)C 2282854149 NYLAGHDKTQVGOL-VWLOTQADSA-N 420.387 1.053 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)N(C)C 2282859912 RYZAIUFGUYEWEX-LLVKDONJSA-N 402.347 1.192 30 10 HDEE C[C@H](O)[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869444 CUBAMPPJHRHMHM-STQMWFEESA-N 401.359 1.580 30 10 HDEE CN(C[C@H]1CCCCN1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881370 WXGWOVMSVIKCAA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCOC[C@@H]2C(F)F)OC1(C)C 2282884073 JOWAYNGGHYDUOL-LLVKDONJSA-N 409.285 1.702 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406055 SXLUKMKMRLYKGJ-PWSUYJOCSA-N 401.315 1.449 30 10 HDEE CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407368 KXDHNWKORNDMJT-NSHDSACASA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CSC[C@H]2C(=O)O)OC1(C)C 2284413263 IVYLHZNVVCRAQA-NSHDSACASA-N 419.355 1.337 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2C[C@@H]3CCO[C@]3(C#N)C2)C1 2358802801 CXWMQRDUZIFMET-GKJHBJHPSA-N 413.474 1.944 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CC2 2365211571 MPMKMZSLWSYJLG-AUUYWEPGSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOC[C@H]1NC(=O)OC(C)(C)C 2365212059 QFPSBTKVZKWMTH-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CCC[C@@H]2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2374104092 BYKICFDGLJFOAF-SCLBCKFNSA-N 402.513 1.562 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 5830055 ZZOWHLLRRDPLBE-HNNXBMFYSA-N 415.471 1.985 30 10 HDEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4ncccc4C#N)CC3)ccc21 105288747 LDBPKIDYGZPVDA-UHFFFAOYSA-N 411.487 1.238 30 10 HDEE N#C[C@H]1CNCCN1C(=O)c1cc(Br)ccc1I 232469997 TULALSBFCXCCAT-VIFPVBQESA-N 420.048 1.991 30 10 HDEE Cc1ccc(CN2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 263628045 LEAQTUSPOBBPEO-CABCVRRESA-N 410.517 1.847 30 10 HDEE CCOC(=O)CCS(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 404995294 VEUIKBHORAODTC-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 410207951 XRHYLPSNKFAQSP-QZTJIDSGSA-N 419.551 1.498 30 10 HDEE N#Cc1ccc(S(=O)(=O)N(Cc2nnc3n2CCOC3)C[C@@H]2CCCO2)cc1 435658921 DGIDWIGEDDHFRF-HNNXBMFYSA-N 403.464 1.050 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OC 435941870 LLTJXRSXUQZOGB-UONOGXRCSA-N 416.521 1.152 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1C[C@@H]1CCCO1 460926961 RGRFLRNHHLCPBH-WBVHZDCISA-N 408.510 1.786 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 461161563 SADLTPMGULFFAS-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c1 472588666 KKDHHXZPBUKWEH-UHFFFAOYSA-N 413.471 1.157 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C[C@H]4NC(=O)NC4=O)cc3)CC2)n1 481116289 UOXSFSIEZNKLEX-QGZVFWFLSA-N 419.445 1.058 30 10 HDEE COC(=O)CC1(NCc2cc(C#N)ccc2Br)CCS(=O)(=O)CC1 493633021 GOVVDGLEKWTQPZ-UHFFFAOYSA-N 415.309 1.921 30 10 HDEE C[C@H](C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1)n1cnc(C#N)n1 494631496 JKWXIRWZYNZKSC-CYBMUJFWSA-N 415.429 1.149 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 497374818 QJIDRJNMGGCOPX-RDJZCZTQSA-N 404.492 1.009 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)cn1 507482217 LZLRKNDKQKHQKH-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(C)C)n1 513122694 GYCKIMSKLMCTBC-UHFFFAOYSA-N 413.503 1.927 30 10 HDEE CC(C)Cn1ccnc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 524650404 YNPBMCXFDCJHAA-QGZVFWFLSA-N 408.462 1.932 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC(=O)OC(C)(C)C)c2ccccc2)C1=O 532152994 RIZVXCRTVQGXAX-UHFFFAOYSA-N 401.419 1.338 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NCCN=c3cc[nH]cc3)n2)c(Cl)c1 541144852 XISRBRPMAYMRKY-UHFFFAOYSA-N 409.837 1.381 30 10 HDEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCCN(c2ccccc2)C1=O 586864030 IDNGTDILTIDAFS-LJQANCHMSA-N 408.433 1.968 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 589928433 GNDRQLDGZPUYGH-MJGOQNOKSA-N 410.522 1.966 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 603786820 PSRYGQHYIJSUGQ-UHFFFAOYSA-N 420.469 1.559 30 10 HDEE N#Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c(F)c1 609230095 SSXGMZARNDQAHE-UHFFFAOYSA-N 423.491 1.639 30 10 HDEE COCCN(Cc1ccnc(C#N)c1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 610993826 CUYCNEKINLRBCI-UHFFFAOYSA-N 406.446 1.499 30 10 HDEE Cn1cccc1C(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 613156188 DNHRZTWEICWKRG-UHFFFAOYSA-N 404.434 1.467 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c(OC)c1 672477161 YCOHERSDZQLMLU-MRXNPFEDSA-N 411.524 1.190 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 729333881 BABSCNTVKGPTKB-OALUTQOASA-N 402.516 1.117 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)Cn1cc(Br)ccc1=O 734292823 HOMJTXDNZWLOAE-UHFFFAOYSA-N 410.249 1.296 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)C(=O)N2 736608865 QCUZJBJNMXFAPL-CYBMUJFWSA-N 423.491 1.040 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 741729470 PDTBJTOMAKPOIO-UHFFFAOYSA-N 410.398 1.814 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)N=c3cc[nH]n3[C@H](C)C3CC3)cc2C1=O 741825777 LEVKTHVXAVKMKV-CYBMUJFWSA-N 422.441 1.854 30 10 HDEE CC#CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 744457537 QTOFEDQOKOYFTA-UHFFFAOYSA-N 402.266 1.650 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c(O)cc(F)cc3F)CC2)o1 749277919 FBGLLNJHNOCYPZ-UHFFFAOYSA-N 406.345 1.344 30 10 HDEE N#C[C@@H](C(=O)CCOCC1CC1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 751830500 MAOXYCXUTYYQDS-SFHVURJKSA-N 400.435 1.769 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 754352726 XTVIIMVZIDOQEA-MAUKXSAKSA-N 423.535 1.946 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 754352730 XTVIIMVZIDOQEA-YJBOKZPZSA-N 423.535 1.946 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NN=Cc1cn2cccnc2n1 757561243 MWKPXIJGLTVICL-UHFFFAOYSA-N 415.435 1.868 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757589237 PUMMLMPRXMBNPB-RDJZCZTQSA-N 421.519 1.898 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCCNC(=O)c2ccccc2)C1 758324952 LXSAGMZZJOXWSJ-HOTGVXAUSA-N 401.467 1.475 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3cccnn3)CC2)[C@H](C#N)C1 758767910 JFOFRUQHKPLFCJ-HUUCEWRRSA-N 401.471 1.067 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760554183 YJRNACAKIZSTFC-QFIPXVFZSA-N 415.457 1.372 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CC(C)(C)CN(C)C)c2=O)c1 776757039 YGBDPALRZLZRQF-UHFFFAOYSA-N 411.531 1.236 30 10 HDEE COC(=O)C(C)(C)N1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 778190331 WZRPICNSTCHHJP-INIZCTEOSA-N 407.474 1.793 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)OCC2(C#N)CCOCC2)cc1 780547258 PGYSSBJWCGSQKE-UHFFFAOYSA-N 410.492 1.959 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)C#Cc1ccc2c(c1)OCO2 787923485 GTHGUHFWRVZLND-OAQYLSRUSA-N 402.410 1.423 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 788107392 RMAIZTDYNYWCLX-GDBMZVCRSA-N 417.514 1.299 30 10 HDEE COc1ccc(OC)c([C@@H]2CCCN2C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c1 798740821 CNEHEPSDRSGSIX-BBRMVZONSA-N 413.434 1.635 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 802612163 BRCFQYYTMNBODU-KRWDZBQOSA-N 421.453 1.433 30 10 HDEE COc1ccccc1NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(O)C2=O)cc1 816695937 NTEKUZVMJUEONJ-OAHLLOKOSA-N 405.432 1.216 30 10 HDEE O=C(Cc1ccc(NC(=O)c2ccc(Br)o2)cc1)N[C@@H]1CCN(O)C1=O 816696202 UDZYBHGODHOGHA-GFCCVEGCSA-N 422.235 1.943 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(C[C@H](C#N)CCC#N)CC1 917009185 KVYFFVAARVGJCS-INIZCTEOSA-N 424.548 1.148 30 10 HDEE COC(=O)[C@]1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCSC1 1127829484 FHXDPKSPQOZLDJ-SGTLLEGYSA-N 407.879 1.729 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nccc(C)c2C(=O)c2ccccc2F)C1=O 1133809647 ZPKQGVGASXMJLE-UHFFFAOYSA-N 424.388 1.675 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1134276461 XVGGHEKILFEAOW-JXFKEZNVSA-N 419.503 1.722 30 10 HDEE COC(=O)[C@@H]1CO[C@H](CCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1135762624 OFXYTZCPWHWOGT-QXAKKESOSA-N 403.454 1.893 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(F)cc1)N(C)C)c1cc[nH]n1 1136319206 FJOLTICWZQNVSB-INIZCTEOSA-N 405.430 1.252 30 10 HDEE CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N 1137537056 GJQOZSJXGORAOM-DOTOQJQBSA-N 406.508 1.501 30 10 HDEE C=CCONC(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1140879819 QDWWBQBFQKHVQZ-UHFFFAOYSA-N 405.270 1.317 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c(Br)cccc1[N+](=O)[O-] 1144429530 WGWUIQTYVYTSCT-SQFISAMPSA-N 409.196 1.614 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(CC#N)CC2)C1 1147283700 PJIGUAZFQMCUAK-NQIIRXRSSA-N 400.479 1.470 30 10 HDEE C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCN1CCO 1155026712 NSJVUOMIOJYUAB-HRXNXTQESA-N 406.527 1.298 30 10 HDEE C[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cc1 1159491130 VMHOJLKBTHZUMU-SNVBAGLBSA-N 403.236 1.770 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c(C)o1 1167197649 XRIKSKHCWAARRZ-UHFFFAOYSA-N 403.460 1.804 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(O)CCC(F)(F)CC2)s1 1167651313 MCFOYERICZILBO-UHFFFAOYSA-N 408.492 1.812 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(CC(=O)Nc1cc(Cl)ccc1C#N)C2 1176860623 NNGPGPYPCFTVNL-OAHLLOKOSA-N 401.858 1.023 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 1178207294 HQAYLETVPLDNJI-UHFFFAOYSA-N 406.280 1.388 30 10 HDEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)[C@H](CO)Cc1ccccc1 1225935634 AMKJPOKNHGALMO-OKZBNKHCSA-N 402.495 1.990 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1230577142 LOYTYLSVFLKCSA-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2)CC1 1230811879 GGIWBSKVAKPWAU-CQSZACIVSA-N 400.435 1.289 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1286384557 IIFJBRXZLFAHAT-INIZCTEOSA-N 416.503 1.805 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1286389773 QGNNDMCPDDXUCY-MRXNPFEDSA-N 417.535 1.700 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286452568 INWGCZADWHEHRQ-UHFFFAOYSA-N 411.441 1.667 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2ccnc2C)CC1 1286473779 TVEATWJRMBUWJL-UHFFFAOYSA-N 420.477 1.814 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCCCC2=O)CC1 1286481280 BVQHEKRAJZCSCZ-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286698548 AZAMTNOWSDPVSC-VLIAUNLRSA-N 402.499 1.563 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)n(C)c1 1289348803 JNTXCUNLWLXTLP-SFHVURJKSA-N 402.476 1.361 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H](CO)Cc3ccncc3Cl)CC2=O)cc1 1297288646 AWTGHEAVEZJMAB-NVXWUHKLSA-N 412.877 1.927 30 10 HDEE CC[S@](=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1297828537 PLCFHANFCFVJMK-GDJIYFAZSA-N 409.556 1.827 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1299475925 AVKULLZIFLBOGT-INIZCTEOSA-N 403.508 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1300578188 IVTGQDLNVDVKAW-OALUTQOASA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1300649969 QPDUCODGJGFBNI-BCDXTJNWSA-N 403.527 1.804 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCc2cccnc21 1300664975 GEBKXYIJPBHXFH-MSOLQXFVSA-N 408.506 1.830 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCOCC2)CC1 1300693368 XDMQFSRKMUJXKB-UHFFFAOYSA-N 408.550 1.731 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1300695725 HIIQGVAOWFXNHL-FQEVSTJZSA-N 408.554 1.611 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(Cc2nc(COC)no2)CC1 1300765404 DHALQAYHOUILSA-UHFFFAOYSA-N 405.528 1.059 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1300855271 DQLMRNPZCXSXNL-HMFYCAOWSA-N 424.505 1.570 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCS(C)(=O)=O 1300914666 GOFCZKGNAFLITO-CQSZACIVSA-N 404.558 1.017 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)CC1 1301220028 VVZUXALOEKYTSF-UHFFFAOYSA-N 420.531 1.860 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1)C1CC1 1301326969 JWRCCXRNBQCPJV-MRXNPFEDSA-N 424.567 1.921 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1301554852 ONTICZIDZKIZRV-MRXNPFEDSA-N 410.540 1.267 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(O)cc2)C1 1301558806 YYRCPXNECZLYBP-WMZOPIPTSA-N 418.519 1.715 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)OC)CC1 1302219399 CFRAWYAHKREDJS-UHFFFAOYSA-N 413.478 1.869 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@](C)(O)CN3C(=O)NC4(CCCC4)C3=O)cc21 1304216758 SMZGCMMWIZXUHR-FQEVSTJZSA-N 411.462 1.776 30 10 HDEE CC1(C)C[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCS1(=O)=O 1304235870 UVBOWDRFFVPZBN-HNNXBMFYSA-N 412.533 1.850 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 1309798199 XGJUPXCZMZBWHG-UHFFFAOYSA-N 418.515 1.489 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2Br)CC1 1310130826 GAHVCXHWKRCUBW-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 1312353024 AISYOIUFOXQHKA-UHFFFAOYSA-N 406.552 1.241 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1314808826 SFHCPIRCRZJKLZ-ZWKOTPCHSA-N 424.505 1.870 30 10 HDEE Cn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1314916523 IPSPVBHOIZODHK-UHFFFAOYSA-N 420.525 1.637 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCC(=O)N1 1316101656 LUKJNPIZNBKQTQ-QGZVFWFLSA-N 421.505 1.995 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1316135788 SDWMAILDECPVLK-IRXDYDNUSA-N 414.510 1.842 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1323676019 WREJHVNAEQKTJV-ROUUACIJSA-N 420.554 1.354 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1CCN(CCN(C)C)CC1 1358871064 ZLCFABAMQIMPCN-KRWDZBQOSA-N 403.575 1.148 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(O)cc1 1359023124 ALONBFXZEREOLZ-UHFFFAOYSA-N 409.446 1.846 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(OC)CCCC2)CC1 1359040324 PIIDEYAYQVDMNF-OALUTQOASA-N 417.554 1.717 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1359070245 IVBKGLBBEYIXEU-SCLBCKFNSA-N 424.477 1.812 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1359136952 ZZGYDSDRBAVWBA-UWJYYQICSA-N 422.526 1.912 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359148140 FHDQHZZFELVWDF-UHFFFAOYSA-N 420.949 1.422 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCn2cc(CO)nn2)CC1 1359160349 RVQOSWVOOIHHLV-HXUWFJFHSA-N 417.514 1.261 30 10 HDEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1359163207 VESOUTPDNZSTBZ-MRXNPFEDSA-N 402.524 1.921 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCCN(C)C)CC1 1359179430 VEXHJXWFMBBJTR-KRWDZBQOSA-N 411.572 1.161 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1359222715 PZNVAPOLWZZDGJ-UHFFFAOYSA-N 423.514 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359297037 CCVQHFRBEQOTIH-INIZCTEOSA-N 411.510 1.335 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)noc2C)C1 1359320560 SEBKDPQMDQWAJI-DOTOQJQBSA-N 400.483 1.858 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCCO1 1359466108 STKNXHNISRACPV-IRXDYDNUSA-N 404.515 1.696 30 10 HDEE C#CCN(C(=O)COc1ccc(Br)c(C)c1)[C@H]1CCS(=O)(=O)C1 1435067957 DCHIAVBFTDWYKZ-ZDUSSCGKSA-N 400.294 1.785 30 10 HDEE COc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc(OC)c1Br 1453839953 DQIMMYHHIADKJH-UHFFFAOYSA-N 423.223 1.030 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)Nc2cc(OC)c(C#N)cc2F)CC1 1461827857 OJQCHBOERZEZCW-UHFFFAOYSA-N 407.442 1.982 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3CCCS3(=O)=O)CC2=O)cc1Cl 1462012083 HVWPKUHIASRYFA-AWEZNQCLSA-N 424.910 1.106 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)c1 1464256869 BMXBXWGILDCUQM-JJDWYLCDSA-N 401.492 1.966 30 10 HDEE Cn1cc(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc1C(N)=O 1465968660 TYOQKZNUUYCLTJ-DAIAYTDJSA-N 401.467 1.849 30 10 HDEE CCO/C=C/[C@@](O)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1468480411 LBTJMPPTQLKWLX-IWAYRVGRSA-N 409.368 1.900 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2COc3ccccc3[C@@H]2O)s1 1468616015 JJCHYOHJNRGHLT-KDOFPFPSSA-N 408.501 1.366 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C 1470538220 WFJOPTJGOPDOJU-XKQJLSEDSA-N 412.446 1.421 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1471032388 AXRMKNMSOZZOKB-IPYPFGDCSA-N 416.482 1.844 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CC1 1477908033 BIQBSLBUCJAEOB-UHFFFAOYSA-N 406.571 1.824 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3nc(-c4ccccn4)n[nH]3)C2)nc1 1478633040 MYWYGXOFMMIBSL-HNNXBMFYSA-N 403.450 1.919 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(O)nc1=O 1479615430 ORAYKECIMFDRCZ-MRXNPFEDSA-N 411.466 1.583 30 10 HDEE CCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1499202755 ADGPMSDUXDMBII-MRXNPFEDSA-N 400.458 1.593 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1507617161 RLCJHACCBKITHN-HUUCEWRRSA-N 407.565 1.614 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507635006 RTKNEFIPJSCLQJ-CQSZACIVSA-N 408.553 1.312 30 10 HDEE C=C(Cl)Cn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1507875716 WUBQFRFUIUPOHA-DOXZYTNZSA-N 409.918 1.786 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC(C)C)C1 1508118807 SLBQTZIYMBWLKC-OAHLLOKOSA-N 408.528 1.382 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1508153775 QCBSNYDPFKELTI-AWEZNQCLSA-N 410.569 1.663 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1508322583 QVDCMTPFWZNAHY-KNQAVFIVSA-N 424.505 1.727 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1512408217 OPBGWGCUUAMIMX-VBQJREDUSA-N 407.478 1.897 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)CC1 1516007988 QCJZROIPPJQHDZ-UHFFFAOYSA-N 424.509 1.194 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1518024142 PRCZGOMCUWBRQW-KGLIPLIRSA-N 416.869 1.614 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)OC 1518724407 DKSQTNXZRYELMO-OTWHNJEPSA-N 424.505 1.726 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3ncc4c(c3C#N)COCC4)CC2=O)cc1 1529422398 BPZYJEGEXUXACA-OAHLLOKOSA-N 419.441 1.976 30 10 HDEE COc1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 1529878069 YWQSNXGBCRDRGW-UHFFFAOYSA-N 416.459 1.164 30 10 HDEE Cc1c(C#N)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nn1C 1530306696 ROLKAMWYXNFKLM-UHFFFAOYSA-N 423.882 1.527 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)cs1)C(N)=O 1531724543 HESAQLOSNFCXIK-ZDUSSCGKSA-N 415.544 1.872 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cc2csc(S[C@@H](C)C(N)=O)n2)c1 1534302723 AUQCPRUDCIBQKL-LBPRGKRZSA-N 416.528 1.730 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 1538122645 DNIZDXCNUSWOSI-LBPRGKRZSA-N 408.402 1.653 30 10 HDEE C#CCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539094009 IYNPMSABCJJRQR-MAUKXSAKSA-N 415.469 1.922 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1539266470 QVJLOINKEZZRQQ-SFHVURJKSA-N 414.487 1.298 30 10 HDEE C#CCSCCn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1539530300 FHLURIMFFSUMIF-SFHVURJKSA-N 412.581 1.254 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC 1539668819 GPKGAESMURQVHY-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539744637 RRNPYFNZIKIYSY-UWJYYQICSA-N 418.542 1.123 30 10 HDEE C=C(Cn1c(-c2cnccn2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)c1ccccc1 1539766103 TVUFNDCGEANGOM-IEBWSBKVSA-N 420.473 1.809 30 10 HDEE C=CCCOCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1540041593 BEFZADJMSPJBEW-RTWAWAEBSA-N 419.526 1.382 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)C)n1CC1(O)CCS(=O)(=O)CC1 1540200904 KKLCFJPENMNRQS-UHFFFAOYSA-N 400.545 1.055 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1544554231 PNKYVMSDWOHBFS-WMLDXEAASA-N 421.505 1.398 30 10 HDEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(C#N)C1 1555327566 MERRLDTXMKBYNT-LJQANCHMSA-N 401.471 1.729 30 10 HDEE Cc1nn(C)c(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1[N+](=O)[O-] 1558973242 IVFSMUICDUTVNC-UHFFFAOYSA-N 409.200 1.433 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2nc(Cc3cccc(Br)c3)no2)c(=O)n1C 1559448464 BHKCIVXYVWSPCC-UHFFFAOYSA-N 416.235 1.512 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)CC(=O)OC(C)(C)C 1559976012 GBOZVFFSNYWHCQ-UHFFFAOYSA-N 416.446 1.898 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC1 1565103083 GEXHCBSDQSPZCM-LJQANCHMSA-N 401.486 1.782 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCOc2ccc(CC)cc21)c1cc[nH]n1 1567375562 GJUXWCOBUKAGQL-OAHLLOKOSA-N 400.435 1.896 30 10 HDEE C=CCOC[C@@H](NC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)C(=O)OC 1568154684 OQAPBOOZXHSVMK-HUUCEWRRSA-N 400.472 1.263 30 10 HDEE C[C@@H]1CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@@H](C)O1 1585139420 WGBGINTWZUCVFE-UOSKARGWSA-N 403.504 1.311 30 10 HDEE C[C@@H](COc1c(F)cccc1F)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1587088977 ORRNHCYKWRBNJT-NSHDSACASA-N 409.414 1.587 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1588006325 IPPWNPIVGPYDGA-UHFFFAOYSA-N 410.522 1.133 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1588387495 UZWDKNVJEDBRSR-QGZVFWFLSA-N 417.535 1.872 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)N(C)C)CC1 1588790787 BXPIHYRXZDDBDY-UHFFFAOYSA-N 403.490 1.337 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCc2cnn(C)n2)CC1 1588849062 XMQFONJCPGOIHM-UHFFFAOYSA-N 418.549 1.694 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1589117335 YAPQVVJNDYDPKQ-UHFFFAOYSA-N 420.583 1.907 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594497360 GBKJVYAKJWVHJU-HOTGVXAUSA-N 411.572 1.854 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2cccc(F)c2)C1 1595537001 KYFRGQLHINKBAY-RDJZCZTQSA-N 412.469 1.664 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1595746925 GECGFKWCIYYTFY-UHFFFAOYSA-N 416.459 1.788 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)COC(=O)N3)nnc1C(C)(C)C 1595830582 DJHZPUILQJIFEZ-UHFFFAOYSA-N 411.528 1.255 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@]1(O)CCN(C)C1 1602908258 HRPLZYBZPHZVAL-UGKGYDQZSA-N 410.522 1.918 30 10 HDEE C=CCCn1cc(C(=O)N[C@@H](CO)c2ccccc2I)nn1 1606602254 BNNJMKVFHOWRDF-AWEZNQCLSA-N 412.231 1.922 30 10 HDEE C[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1611490171 BPFIWEXHLUDLSH-JSGCOSHPSA-N 422.331 1.725 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1sc2c(c1C#N)CCCCC2 1620525719 RXXMDZNCZUINQW-ZDUSSCGKSA-N 405.524 1.457 30 10 HDEE N#CCNC(=O)CNC(=O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 1623553492 IEXUWYRKCVLTDS-UHFFFAOYSA-N 406.442 1.671 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1623599557 TWLMYWFXPZGKKZ-CVEARBPZSA-N 415.450 1.422 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc(NC(=O)N(C)C)c2)c1 1624343148 ZLMWVYBZEHCUFB-UHFFFAOYSA-N 400.460 1.944 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)cc1 1626239893 ZTFPBMGQRPIMRZ-UHFFFAOYSA-N 417.365 1.997 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)c1ccc(Sc2ccccc2C#N)cc1 1627035166 QXJCTJDEOQQILX-UHFFFAOYSA-N 404.517 1.835 30 10 HDEE C#CCN(CC(=O)N1CSC[C@H]1C(=O)N1CCSCC1)C(=O)OC(C)(C)C 1627049867 CTOJHGLKVZIJDF-AWEZNQCLSA-N 413.565 1.334 30 10 HDEE N#C[C@H](NC(=O)c1cccc(-n2[nH]nnc2=N)c1)c1ccc(OC(F)(F)F)cc1 1629208795 RFKHHHOONXVSBD-AWEZNQCLSA-N 403.324 1.968 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(C3CC3)C(=O)C2)C1 1629326493 VQSUGGWTHJMSJF-UHFFFAOYSA-N 403.280 1.590 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O 1631744540 GXNBSPDSZIYOPB-MCIONIFRSA-N 423.963 1.856 30 10 HDEE CN(CC(C)(CO)CO)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1633095931 BIDYYUPNMMSXPV-GOSISDBHSA-N 417.506 1.842 30 10 HDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)CCCCOc1cccc(C#N)c1 1633997489 OICREJKYOJBYNC-SFHVURJKSA-N 417.462 1.014 30 10 HDEE C#C[C@@](C)(CC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1635827294 KETMEGQFBOMBSB-FQEVSTJZSA-N 406.504 1.792 30 10 HDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)CNC(=O)c2ccc(C#N)cc2)C1 1635938718 RVRJTBUEUMQIOR-OAQYLSRUSA-N 406.486 1.614 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1636429963 KPHBHVRHFNGMLB-SFHVURJKSA-N 415.490 1.932 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21 1636683349 CSNJHKXVERDWQU-IAGOWNOFSA-N 401.492 1.329 30 10 HDEE CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1639638007 LVOYUMBENSKGHZ-SFHVURJKSA-N 401.444 1.849 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCN(c2ccsc2C#N)CC1 1640439117 AMZBQDGPXRHQAF-UHFFFAOYSA-N 421.486 1.772 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C 1640924050 FMALDANJLUWKME-UHFFFAOYSA-N 406.504 1.853 30 10 HDEE C#CC1(O)CCN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)CC1 1641039940 ADQQBLJHMPKUQO-UHFFFAOYSA-N 422.222 1.733 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(C2CCOCC2)n1 1641611198 QBBCKZZGRGBDQU-UHFFFAOYSA-N 403.464 1.302 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccccc2F)c1 1642691807 XUSFEWVZMOUWSC-HXUWFJFHSA-N 404.463 1.461 30 10 HDEE CC1(C)C[C@@H](O)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1642803214 LXQRLVJKZYLHTG-OAHLLOKOSA-N 407.536 1.905 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)c1 1642875292 ZCOUXBNZTVSSMD-UHFFFAOYSA-N 422.484 1.263 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)n[nH]2)c1C 1644152229 PNWJYGHPDXKDAK-CABCVRRESA-N 403.508 1.583 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(Cc3ccc(C#N)cc3OC)CC2)cc1 1644340588 CVXQBYGZCBVKSV-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE Cc1cccc(O[C@@H](C)C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 1644608928 DBAWGPBYTBUWTE-PMACEKPBSA-N 415.534 1.978 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1645274654 SOHSNEPHXSLSBU-DLBZAZTESA-N 406.527 1.106 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1646251913 DDKIFIHGWXITKY-FQEVSTJZSA-N 418.519 1.062 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccccn2)cc1B1OC(C)(C)C(C)(C)O1 1648709395 PYVPVOPOFSCARK-OALUTQOASA-N 412.295 1.514 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3C[C@H](OC)C3)nnc12 1651206504 HRTAHXIRKMVZPC-HDJSIYSDSA-N 413.503 1.864 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1NC(=O)CNC(C)(C)c1cccc(C#N)c1 1654208213 SEFALRJZCLRFGI-UHFFFAOYSA-N 402.476 1.678 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1 1662402351 HFHXIKGWTCSMOP-UHFFFAOYSA-N 400.400 1.067 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)c2c[nH]nc2C(F)(F)F)C1 1668498233 CKTOLZMUYJJFIB-IUCAKERBSA-N 409.390 1.466 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2c(Br)ccc(OC)c2F)nn1 1669875518 ZTBXPMRWYTUVPM-UHFFFAOYSA-N 405.249 1.853 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)N(C)Cc3cc(C#N)cs3)C2)cc1 1682181665 SMTIHTXIZOVCJL-UHFFFAOYSA-N 420.516 1.843 30 10 HDEE C=CC[C@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1684246885 INCTXZABYMGYPF-CABCVRRESA-N 411.499 1.555 30 10 HDEE C=C[C@H](C)ONC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1686939796 QVQAQHHKFNGUSP-YJNKXOJESA-N 410.471 1.717 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CC[C@H](c3nc(CC)no3)C2)n1 1687745237 FGMRGARMHQIBBO-HOTGVXAUSA-N 400.483 1.956 30 10 HDEE C#CCC1(NC(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCOCC1 1687782812 UTVQMNSTBWEGNF-HNNXBMFYSA-N 420.510 1.078 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1689867663 VQTVBXKMGHVPOS-OAGGEKHMSA-N 418.542 1.985 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1690012321 ZGXWGWWWQZBHGN-QZTJIDSGSA-N 409.538 1.639 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2CSC)nnc1[C@@]1(OC(C)C)CCOC1 1690677280 SYWSJSMTNHIONB-OXQOHEQNSA-N 423.583 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1690725690 YVHUIBKKOHECSA-HOTGVXAUSA-N 400.545 1.318 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1691001346 HMSHPGWJIIJAJK-WMLDXEAASA-N 424.509 1.967 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1705478802 GEVSFGLFWQAFLT-WIYYLYMNSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1705551449 NMLMKPWHVKMKRT-QGZVFWFLSA-N 415.519 1.451 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN(C)C(=O)OC(C)(C)C 1705589646 UHHKBYBIEDGFPD-UHFFFAOYSA-N 416.526 1.746 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCOC1 1705630482 VAAKPKKGZKYENK-JOCHJYFZSA-N 414.506 1.711 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1705632375 NYBRFODTVDPKCM-NPPFBWRTSA-N 414.554 1.113 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(SC)c2)CC1 1705638660 RTOSUJMEZDASFX-MRXNPFEDSA-N 411.535 1.150 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1705878188 JZZGYXWDYIADMG-FQEVSTJZSA-N 404.536 1.625 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(OC)C2CC2)C1 1705928457 FIBHMCROOYKNRE-DYESRHJHSA-N 403.527 1.997 30 10 HDEE CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1706056080 DUAMTYYLOFQZPT-HOCLYGCPSA-N 416.457 1.812 30 10 HDEE C[C@@H]1COCCN1c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1708259183 CJLYZKISNWUCLB-GFBZJKCLSA-N 416.482 1.271 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1709902765 ZBNCWZVSZLKVIX-DLBZAZTESA-N 407.478 1.010 30 10 HDEE CO[C@H](CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(F)(F)F 1711528971 CHHYJZFCYCMUCN-IUODEOHRSA-N 424.431 1.931 30 10 HDEE CO[C@@H](CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C)C(F)(F)F 1711528973 CHHYJZFCYCMUCN-WFASDCNBSA-N 424.431 1.931 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(N)=O)c2)CCO1 1712885028 XTROCHUOBLJXNV-QGZVFWFLSA-N 408.487 1.806 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1722347829 QNBGWNDJALQIAG-UHFFFAOYSA-N 405.466 1.036 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1722436301 CEFWAAZEKSTTJL-FQEVSTJZSA-N 400.571 1.658 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722458207 FWQNZIHFHULGHF-JKSUJKDBSA-N 418.567 1.481 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1722617224 HYVPRTBXAKGMKO-IRXDYDNUSA-N 424.567 1.921 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1722686594 MNBRVVGXCJQLFC-UHFFFAOYSA-N 424.553 1.692 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1723771551 VCVAHJYGODVZPA-SJCJKPOMSA-N 423.315 1.936 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1723967753 ALWJOFOEGHIBKC-KXBFYZLASA-N 407.540 1.471 30 10 HDEE Cc1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1/N=CC=CC1=O 1726351981 LDTAGQNXVIQQOY-RAJOGRCSSA-N 410.482 1.360 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCCn1cc(CO)nn1 1730257456 HRRDDGADUPPYFB-OAHLLOKOSA-N 410.482 1.724 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)[C@H]2CCN(C)[C@@H]2CC)CCOCC1 1736554312 SBGCPPMIEMOQFJ-IVDHNXQLSA-N 401.551 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1740557708 MZIOLBOJMPWYCR-AUUYWEPGSA-N 403.508 1.533 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627401 QGZOFARFMVTRBN-BRWVUGGUSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccccc1F 1740655435 BRTDTSPMVNCTAZ-QGZVFWFLSA-N 409.465 1.814 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N(C)C 1740655953 GVCOVQWFDYDHIQ-LJQANCHMSA-N 407.474 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@](C)(CC)O1 1740678486 MYHAZCSMWBMURU-UWJYYQICSA-N 403.527 1.948 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(CC(C)C)C1 1740684448 RMRNSWKFZFDQSV-RBUKOAKNSA-N 416.570 1.683 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2cccs2)CC1 1740688473 GBPWSDZUSZELSJ-HXUWFJFHSA-N 416.551 1.141 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740712973 AUFDZOKOGFTHSC-QAPCUYQASA-N 424.534 1.494 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740735427 PIHSPOLKEQPOCI-JOCHJYFZSA-N 424.505 1.070 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1740811094 LTXHUKWXZTUWQW-OAHLLOKOSA-N 417.963 1.091 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cncn2)C1 1740886832 USERCUWKXDBFIN-QGZVFWFLSA-N 414.514 1.426 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(NS(C)(=O)=O)CC1 1740950424 MSSWROXRJCZHAQ-UHFFFAOYSA-N 411.478 1.851 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740958797 VFDYMJFCWUPYQN-DLBZAZTESA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1740962647 KKMICNYJXWNXPK-SFHVURJKSA-N 413.526 1.252 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(CO)CC1 1740963462 LNEPTNMVDIBKII-UHFFFAOYSA-N 408.506 1.792 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CO)c2)C1 1740970387 KGEBOCCUJYWTAY-LJQANCHMSA-N 411.506 1.836 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCO[C@H](C(=O)NC)C1 1740971814 XOHPOYFBSXICSV-SFHVURJKSA-N 415.494 1.379 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCc2ccco2)C1 1740977635 XHGKULXJXRDQGD-QGZVFWFLSA-N 410.478 1.974 30 10 HDEE CNC(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(CCC#N)CC1CC1 1748270682 AHXFYJHODHKJMY-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1748640942 YWRKOVAQTGFEED-UONOGXRCSA-N 415.523 1.465 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1748697770 MRXZJYTZWXGWNM-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1748772237 RIAQJXOIGCKCAV-AWEZNQCLSA-N 403.556 1.566 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748809887 XCSHRPFSEMCVFH-WBVHZDCISA-N 418.519 1.615 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1748838976 KJJGJKRYRIKNJE-UHFFFAOYSA-N 420.498 1.391 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1 1748961279 ZWBYRCVJUBRWEN-QGZVFWFLSA-N 402.543 1.580 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)F 1749051831 ZUOMOAOQMXRYLU-HNNXBMFYSA-N 407.421 1.888 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1749832403 GXIKEFUOGUKLFH-UHFFFAOYSA-N 421.505 1.686 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCSC1 1760242673 LFVNEEHRMGOWDJ-GJZGRUSLSA-N 415.585 1.118 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CC(=O)NCC(F)(F)F 1760250838 QZFVDEDGYCPEAR-UHFFFAOYSA-N 423.439 1.942 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(OC)cc2OC)CC1 1760260427 ROWSVLQCDOGCKE-UHFFFAOYSA-N 419.489 1.556 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC)C1 1760325851 SNENQVVZVQLSBD-UWVAXJGDSA-N 403.527 1.997 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1760401201 CHIUMBRVTUTBMA-KRWDZBQOSA-N 403.527 1.857 30 10 HDEE C=CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1760459643 AJISJPRIGLBUEO-HXUWFJFHSA-N 413.503 1.665 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](OC)C1 1760514534 INOYZRZSUZQMMR-KRWDZBQOSA-N 412.494 1.675 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H](OC)C1 1760558655 WLXJCZFHFSVBQR-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1760845611 QQNBXGSQDQYUCU-OAHLLOKOSA-N 417.901 1.885 30 10 HDEE CCCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1764526132 KLGXIWHXBPLOGD-UHFFFAOYSA-N 422.493 1.934 30 10 HDEE CCn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC)c2ccccc2c1=O 1765586804 ZCJQJYKMGCDWNT-HNNXBMFYSA-N 423.477 1.440 30 10 HDEE CCOc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC)cc1OC 1767538287 GWUIYAJUXNSICQ-FQEVSTJZSA-N 416.457 1.930 30 10 HDEE CO[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1768004452 CFVNWOCPEHSFCN-ZIAGYGMSSA-N 406.512 1.431 30 10 HDEE COCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1771030557 WANBDVRTJUPLQJ-IBGZPJMESA-N 412.542 1.743 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1771273698 ZGXYQHXQSBXUNS-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE CCC[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1772859176 WTQYKZAVDWDRQF-UFOSLELVSA-N 410.482 1.886 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(OCC(=O)Nc3ccc(C#N)cc3)cc2)CC1 1849715013 QJJAPIMOOCWKFM-UHFFFAOYSA-N 406.442 1.880 30 10 HDEE C#CC[C@H](F)C(=O)OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1852263018 BFTCCNDMJLCQBF-INIZCTEOSA-N 402.875 1.551 30 10 HDEE CN(C)C(=O)[C@@H]1C[C@@H](OC(=O)COc2ccccc2C#N)CN1C(=O)OC(C)(C)C 1852536164 ZJLIHMLFOXILAM-CVEARBPZSA-N 417.462 1.946 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2NC1=O 1853219265 SVJVWSYBZZYGOK-HNNXBMFYSA-N 421.457 1.652 30 10 HDEE C[C@@H](CCC#N)N1CCC(=O)N(C(=O)CN2CCCS2(=O)=O)c2ccccc21 1853619179 FYMWMPOAIMOQLZ-HNNXBMFYSA-N 404.492 1.484 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1=O 1854262867 NZGLICDBHFSDKN-GOSISDBHSA-N 424.892 1.953 30 10 HDEE COc1ccnc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1854352648 MCRUENIHUXQMSL-GOSISDBHSA-N 407.430 1.251 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3cc(-c4ccccc4F)on3)C2)CC1=O 1854817912 KPLLHJDGCFQECJ-MRXNPFEDSA-N 411.437 1.639 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)Cc4cncnc4)C3=O)CC2)cc1 1855458026 PBRQQUYVALCDAD-FQEVSTJZSA-N 405.458 1.562 30 10 HDEE CC#CCSCCOC(=O)C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 1855986107 PEYCAVQXSUVOTH-UHFFFAOYSA-N 402.460 1.395 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC4(CC(=O)c5ccccc5O4)C3)C2=O)ccn1 1856480238 CRNAKOUGMRHAAX-KRWDZBQOSA-N 402.410 1.414 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CN(C)C(=O)OC(C)(C)C)C1=O 1856741759 VOJNLWLZDHGCAR-HOTGVXAUSA-N 422.526 1.090 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(Cl)c3)C2)CC1 1857057068 SBXPRLJPQZFGPU-CQSZACIVSA-N 410.883 1.289 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857143051 BFCMBHHIRHDDBV-SJLPKXTDSA-N 402.470 1.642 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nccc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857263457 GRJBWZCPVDFXMT-VQIMIIECSA-N 406.486 1.942 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)C3CC(F)(F)C3)C2)C1 1857470802 FZCAMPCHBGQZBG-ZDUSSCGKSA-N 404.417 1.827 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871669416 CLRSGPLIXUVKEF-UHFFFAOYSA-N 423.565 1.998 30 10 HDEE NC(=O)CSc1nnc(CCOc2ccccc2)n1/N=C/c1ccc(O)cc1O 1874345574 VXDHKHKVTQAYRA-SRZZPIQSSA-N 413.459 1.770 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3cccc(C)c3)CC2)CC1 1889578001 VAGATJIWEACYKO-UHFFFAOYSA-N 419.591 1.806 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCC#CCN3CCCCCC3)cc2)CC1 1889671046 RYYBIJAZAORLMK-UHFFFAOYSA-N 424.545 1.600 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)C[C@H]3CSc4nccc(=O)n43)CC2)c1 1891125980 FZXWDMHGMQVPAN-INIZCTEOSA-N 411.487 1.864 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC#CBr)[C@H]2CS(=O)(=O)C[C@@H]21 1982250189 OQNATYANWNJQCL-STQMWFEESA-N 407.330 1.451 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1982283939 USHYFEDUSAGSSV-VXGBXAGGSA-N 413.334 1.887 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010398884 PWUKOUABFCDILO-UHFFFAOYSA-N 419.291 1.517 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@H]1COCCN(C(=O)OCc2ccccc2)C1 2054405130 YRDGFKJPXXIZNG-ROUUACIJSA-N 409.508 1.739 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118169713 JJFLTBPQMDZONY-DSGZJRDPSA-N 406.530 1.232 30 10 HDEE C=CCC1(NS(=O)(=O)c2c(C(=O)O)n[nH]c2C)CN(C(=O)OC(C)(C)C)C1 2162445403 MPIAQLVHNMKLMC-UHFFFAOYSA-N 400.457 1.260 30 10 HDEE COC[C@@]1(NS(=O)(=O)N2CCC(C#N)CC2)CCN(C(=O)OC(C)(C)C)C1 2174788759 IOYPDUHRGNZNGY-QGZVFWFLSA-N 402.517 1.082 30 10 HDEE C=CC1(NS(=O)(=O)N2CCC[C@H](CC(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 2196123087 XIBVVUOGHNINMF-CYBMUJFWSA-N 403.501 1.183 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243403095 RQJFRUIUNXXGLZ-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@H]2C[C@H]21 2247827023 DDSDNLSDKHOGJK-UONOGXRCSA-N 418.303 1.543 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270533848 LBCDSCSYNDMOAF-ROUUACIJSA-N 422.503 1.868 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281966370 PKDFXIZILAUIGT-SANMLTNESA-N 401.359 1.481 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCOCCN)cc2Cl)OC1(C)C 2282311031 CAUMWSYNHVZLJL-UHFFFAOYSA-N 424.781 1.344 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC(CCN)CC3)c2)OC1(C)C 2282336530 FMTFBJGZZJPZKT-UHFFFAOYSA-N 400.375 1.797 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1O 2282340761 JOBXHKOLTBROMS-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349092 UMKXXICGDHERNF-NSHDSACASA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC[C@H]3CN)c2)OC1(C)C 2282422688 FCGSUVRAKDBQLX-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE C[C@@H]1CC[C@H](CO)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282494054 WSBOFIMAANCQEP-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSC[C@@H]2CCO)OC1(C)C 2282495135 IGKQDTGIILVBJN-LBPRGKRZSA-N 419.399 1.536 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282627363 MTYIAMZSCHWFQK-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CO[C@H]1COC[C@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852372 OKFVMXIUYZDJAF-NEPJUHHUSA-N 403.331 1.082 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCC[C@H]1O 2282856537 UOJYXNITVWOREP-IACUBPJLSA-N 401.359 1.875 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)[C@@H]1O 2282864954 NJBGKFYTYCVPDN-JYAVWHMHSA-N 401.359 1.685 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](C(=O)O)C2)OC1(C)C 2284396886 ZJXNOYGUVCIVHQ-LLVKDONJSA-N 401.315 1.284 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSCCO 2335664638 OQMSKZYLEDIAIT-UHFFFAOYSA-N 407.388 1.360 30 10 HDEE C#Cc1ccccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2339917640 HPSWLDMVIBOXBV-GOSISDBHSA-N 416.455 1.878 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)c1cn(C)nc1I 2365196121 JCFQCURWPARDBX-LLVKDONJSA-N 409.293 1.502 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365206608 ZRZCIBBWUALHNY-QCUYGVNKSA-N 402.557 1.537 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](COCC)NC(=O)OC(C)(C)C 2367802614 CTNIHGNHFHFLTN-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C1(NC(=O)OC(C)(C)C)CC1 2367808163 AHKFZJCFZKQZIU-LSDHHAIUSA-N 400.541 1.353 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCNC(=O)OC(C)(C)C 2367823406 ZAALMEDUXJAFFX-MAUKXSAKSA-N 402.557 1.601 30 10 HDEE COc1ccc(C(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1OC 59310822 PUTUKXUUSHEKMC-CNHKJKLMSA-N 401.452 1.976 30 10 HDEE C=CCS(=O)(=O)[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 71530813 ZKNLDCLGJONBKS-GFCCVEGCSA-N 410.477 1.205 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H](c1cccc(F)c1)N1CCOCC1 78873979 FFFDKBTXHADTET-IBGZPJMESA-N 404.467 1.830 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@@H](c2ccccc2)c2nccs2)CC1 111046700 FAMFMMPIZMBCFL-FQEVSTJZSA-N 413.547 1.269 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 238895951 RAOHCRFTBUJXEG-AWEZNQCLSA-N 404.448 1.598 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCO[C@@H](c3ccccc3C(F)(F)F)C2)CCO1 409490441 GTKSLXISCNVCMO-IUODEOHRSA-N 405.398 1.548 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 436426052 VFQHLLGZUCVMHE-UHFFFAOYSA-N 412.471 1.253 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2S[C@@H](C)CC#N)C1 473306151 UMLUDYJRBSBZPK-KBPBESRZSA-N 403.508 1.939 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 475047528 LZOYQFXXTUQIGC-SFHVURJKSA-N 402.520 1.871 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 481759341 WDTLOPXCNNMGMX-UAGQMJEPSA-N 423.560 1.738 30 10 HDEE C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 488921215 SXHISKDYYFRDKS-HOTGVXAUSA-N 422.526 1.508 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccnc(OC3CCOCC3)c2)CC1 501044934 HKZRNKQFWZDUMY-UHFFFAOYSA-N 422.489 1.938 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCC3CCC(C#N)CC3)CC2)cn1C 508348621 KLQYHLSUAMWWDV-UHFFFAOYSA-N 407.540 1.575 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C)CC1 508422644 QNIKKVFVRYNZOK-HNNXBMFYSA-N 402.474 1.518 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508901881 HWNABCKWBJCSSH-QGZVFWFLSA-N 406.494 1.848 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2CN2CCOCC2)c1 517696894 GYXMYBWJTUTUBS-SFHVURJKSA-N 407.536 1.478 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccccc1C#N 523735814 YVAVASWLQBUHAR-UHFFFAOYSA-N 418.453 1.467 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(N2CCOCC2)c1 532458309 GUXIKKUZZBTEIT-HNNXBMFYSA-N 414.487 1.700 30 10 HDEE Cc1csc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 533021534 DBQTYPFOTSRKBS-UHFFFAOYSA-N 405.505 1.268 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CCCC1 544730828 KLYZOLDQYWVNRF-MRXNPFEDSA-N 403.570 1.727 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)CC1 545182625 DFENBEOCQGWVPI-UHFFFAOYSA-N 400.523 1.160 30 10 HDEE CCN(C[C@H]1COc2ccccc2O1)C(=O)CN1CCN(c2cccc(C#N)n2)CC1 546213099 LSSPXVIYYJRKGB-IBGZPJMESA-N 421.501 1.764 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc(Br)cn3)CC2)n1 546890002 CYVGKHWLNSPDJU-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 549282634 OQVDBPPMQFAWQB-CVEARBPZSA-N 409.556 1.497 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 553583813 RCMNDSPWYKVLQU-MRXNPFEDSA-N 418.523 1.081 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)cc1 564380892 PMVZSYZEMMHKGP-AWEZNQCLSA-N 420.441 1.510 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 579652531 IOFCGEWQCCIBNN-HNNXBMFYSA-N 420.535 1.236 30 10 HDEE COc1cccc(OCC(=O)N2CCN(CCOC(=O)c3cccc(C#N)c3)CC2)c1 586394865 WCLOHAPFJIGFGC-UHFFFAOYSA-N 423.469 1.947 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 590914142 KSGUPIORRRHJKM-QGZVFWFLSA-N 424.526 1.046 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 669753064 IHYGIVBSQLRBMU-NVXWUHKLSA-N 418.519 1.885 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccc(C#CCO)cc1F 703981316 PFSBUYGXYXDCFH-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@H](C)c1ccccc1 727417429 FFCLJEYAEFNSLK-OAHLLOKOSA-N 423.494 1.378 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 728801651 CFSPQGOXODZZNA-UHFFFAOYSA-N 400.416 1.118 30 10 HDEE CCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 730145129 WTWHURJDNAIJFR-OAHLLOKOSA-N 407.540 1.890 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1C1CC1 732668928 BWHXXEPIDSSEGJ-GFCCVEGCSA-N 415.269 1.718 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)c1cc(C#N)ccc1C 734293012 COOSQSSERWKVPN-HNNXBMFYSA-N 413.521 1.266 30 10 HDEE Cc1cc(C(=O)COC(=O)c2ccc(C#N)nc2)c(C)n1[C@@H]1CCS(=O)(=O)C1 734602732 WZEAEIPTDUAXFO-MRXNPFEDSA-N 401.444 1.771 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(c2nc3ccccc3s2)CC1 746123762 HCAISDNIOCEURO-HNENSFHCSA-N 411.487 1.861 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1cccc(C#N)c1 751622754 NMRQCNAKVIPEGV-WAPLAKNRSA-N 413.430 1.816 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)OCC)c(C#N)c2)CC1 752305350 MWPWHSINWBVTJU-UHFFFAOYSA-N 414.466 1.578 30 10 HDEE C[C@H](CC(=O)NC[C@H](CO)c1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 755836857 RRMSKFAAKJCXET-GDBMZVCRSA-N 401.488 1.396 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 759062823 AOUOIIWQRBKYRH-MGPWXQLLSA-N 406.483 1.666 30 10 HDEE C[C@](O)(CN1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(C)(=O)=O)cc1 760910139 AGTQCWMBUDICHX-FQEVSTJZSA-N 400.504 1.386 30 10 HDEE CC(C)(C)OC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)c1 763803383 SMDXZUQJPHQJGD-HNNXBMFYSA-N 416.453 1.918 30 10 HDEE CN1CC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)[C@H]1c1ccc(F)c(F)c1 764400638 KHCACRCJIUDFDW-SASZOBLLSA-N 419.432 1.536 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])c(Br)c2)C1=O 765100433 BWIKHGABDTYESH-UHFFFAOYSA-N 411.168 1.273 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cc(OC)ccc2OC)N(Cc2ccn(C)n2)C1=O 765546278 AWCBFTHZMNWXIE-MRXNPFEDSA-N 417.491 1.705 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ccc(-n2cnnn2)cc1Cl 766991544 YLQSBRVDWQHBIP-UHFFFAOYSA-N 418.822 1.315 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 774248427 RUIOUOWJLFKCQG-ZBFHGGJFSA-N 402.476 1.553 30 10 HDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 774283158 FGKMKVQQCYANSK-MRXNPFEDSA-N 413.503 1.637 30 10 HDEE C=C[C@H](CC)OC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 776103932 CATZVOCHYFEHNZ-MRXNPFEDSA-N 424.519 1.816 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)nc12 784508844 KZNUJUGCIHJKMC-MRVPVSSYSA-N 406.324 1.897 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(F)ccc2N2CCOCC2)n1 790104021 IAOKXLBYLQIWMN-UHFFFAOYSA-N 400.454 1.781 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](CO)(c2ccccc2)C1 809886550 IGZLACCHJYMRHQ-DYESRHJHSA-N 416.547 1.897 30 10 HDEE C=CCNC(=O)COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 810833712 ASLSTHPTXXJXHU-KPRAIHJYSA-N 420.465 1.311 30 10 HDEE Cc1ncc(S(=O)(=O)NCC[C@](O)(c2nccn2C)C(F)(F)F)cc1C#N 813671605 QFQDOVRGLIDOJR-AWEZNQCLSA-N 403.386 1.114 30 10 HDEE C[C@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 823286887 ARRGHGUQDPRONK-STQMWFEESA-N 401.444 1.628 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)Cc3cc(C#N)ccc3F)C2)n1 856586824 JKJXWKBKUOUSBO-SFHVURJKSA-N 408.455 1.542 30 10 HDEE CS(=O)(=O)CCCCNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1129935142 DDVLLGUGRJCLRN-UHFFFAOYSA-N 420.491 1.964 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1130469032 DDWGZNFDGKBBSF-SCLBCKFNSA-N 408.380 1.438 30 10 HDEE CC1(C)CO[C@@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1133412790 TUZXOFQNIQQJMF-QGZVFWFLSA-N 405.520 1.890 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1134295506 QTXKTNQHPXIGOJ-DNVCBOLYSA-N 414.524 1.051 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CCc3nncn3CC2)nn(-c2ccc(F)cc2)c1N 1141569403 HLYWPGGWYBECPP-AWEZNQCLSA-N 422.468 1.758 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H]1C 1144384569 FRSDZPNXPFISIA-SRVKXCTJSA-N 405.296 1.881 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1)c1cc[nH]n1 1158103444 HQNUCYIONNLNBR-SHTZXODSSA-N 400.435 1.765 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCCc1ccnc(N)c1 1160244756 TXNALWMFBIXEGS-CQSZACIVSA-N 401.492 1.341 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1160339791 LPSIUYVQJIITJE-UHFFFAOYSA-N 403.479 1.905 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1ccc(C#N)c(Br)c1 1162947884 CAZIMSVGPPHBTC-LBPRGKRZSA-N 409.284 1.278 30 10 HDEE C=C1CN(C(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)C1 1166320995 ARRWECKVNKMRKT-UHFFFAOYSA-N 401.282 1.482 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)CCOCC1 1168925854 VFSFFOWYYJGNTQ-QGZVFWFLSA-N 404.486 1.453 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(C(F)(F)F)n[nH]1 1175146204 MCIXNBNJRIQXMZ-UHFFFAOYSA-N 415.397 1.564 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(Cc2cccc(C(=O)OC)c2C#N)CCO1 1196554506 VCTSSYBOTXBYFG-NRFANRHFSA-N 404.463 1.904 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCC3(C#N)CCCCC3)C2)cc1 1227960254 CJUAPOGIFPGGJD-UHFFFAOYSA-N 406.508 1.841 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(N)=O)o1)C1CCN(C(=O)OC(C)(C)C)CC1 1229566675 RLWSSYTZQYBOMH-UHFFFAOYSA-N 404.467 1.923 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1234022609 ADMISIDZCIPVQJ-IEBWSBKVSA-N 411.506 2.000 30 10 HDEE C=CCC[C@H](CO)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1251325118 RSUZLOVJNMIVPC-HUUCEWRRSA-N 405.499 1.900 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CC[C@H](OCC=C)C3)c[nH]2)C1 1254564187 CQPDKDFSJTXTGP-HOTGVXAUSA-N 409.508 1.397 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CC[C@@H](Oc3ncc(Br)cn3)C2)c1 1259121199 RCNYTZSXNWBYBE-CYBMUJFWSA-N 409.265 1.953 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCc2cc(F)c(F)c(F)c21 1272814180 PJPBPWVLODQVAU-LBPRGKRZSA-N 409.389 1.946 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCCN1CCOCC1 1286376912 NAUYBRZYMQZZJO-UHFFFAOYSA-N 407.522 1.698 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286386885 IYIKEUKUWLRGNS-PXNSSMCTSA-N 417.535 1.374 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H]1COCCO1 1286422314 KSPLGKGSHNZJPD-DENIHFKCSA-N 416.522 1.587 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)C(C)(C)C 1286430949 LJYANDXCIHBLLA-SJORKVTESA-N 406.552 1.704 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2CC=CCO2)CC1 1286473092 IDXPELRAAWPDDE-IBGZPJMESA-N 408.462 1.954 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(F)cn2)CC1 1286490064 KPXRMZOAWYCFOJ-UHFFFAOYSA-N 419.464 1.888 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(C)COCCO2)CC1 1286490836 UDMRSRMLADOQGT-JOCHJYFZSA-N 415.538 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)C(C)C)CC1 1286491290 MBGVABJAMYYRJQ-HSZRJFAPSA-N 424.549 1.637 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286780294 DMROULKXMVSCSQ-UHFFFAOYSA-N 417.602 1.699 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)C1 1286808616 MFEIPNLOOLTHHV-IKGGRYGDSA-N 405.499 1.206 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)S(C)(=O)=O 1286983082 VKOITIHWYCRWQP-KGLIPLIRSA-N 403.508 1.599 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1288518021 REUWDABQFPCOSY-GOEBONIOSA-N 424.484 1.900 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C(C)(C)Oc1ccc(C#N)cc1 1288700833 UAGWNYRSLIRQKO-UHFFFAOYSA-N 422.485 1.607 30 10 HDEE Cc1cnc([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)s1 1290292738 AWIPTZNOYLJXRF-JSGCOSHPSA-N 403.512 1.714 30 10 HDEE C[C@@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1291131371 APJIUDGQZSPYRR-OAHLLOKOSA-N 415.519 1.745 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CCCNC(=O)[C@@]1(C#N)CCCOC1)CC2 1293223509 KPBSEHRCCWVPNE-JOCHJYFZSA-N 415.490 1.805 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)N2CCC[C@](C)(C#N)C2)C1 1295475102 LLOWXYVOPDOKJS-NIKGAXFTSA-N 411.524 1.420 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(C#N)CC1 1297777665 AOYXPEAJODZQPW-UHFFFAOYSA-N 418.523 1.633 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1298693069 YWKXVCXEXZLVPE-UHFFFAOYSA-N 402.480 1.667 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1300303386 IIQJIUXFIHPCOF-GFCCVEGCSA-N 420.502 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1300303452 IZLBNEZNMHTJLR-OYHNWAKOSA-N 424.505 1.437 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1300376489 KXVYPKRILOFOKJ-FQEVSTJZSA-N 404.515 1.195 30 10 HDEE C#CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1300504131 KASMUZUTOWWXSG-BRWVUGGUSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1300586766 KOLYMFSALKSUFE-IBGZPJMESA-N 411.531 1.694 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ccc(Cl)cn2)CC1 1300700921 YTLUSOZEYYLLGF-INIZCTEOSA-N 416.913 1.665 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccco1 1300920829 GDUQACVFURFAIY-UHFFFAOYSA-N 400.483 1.826 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300950741 NKXQKIDUYMHCQD-GOSISDBHSA-N 404.559 1.739 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1301372368 KZNLXWSLKQKFQF-RTWAWAEBSA-N 403.527 1.975 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](COc2ccccc2)C1 1301490599 BJEKOBWUTYTNOR-SFHVURJKSA-N 422.489 1.860 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)C1 1301543238 JMHIUBUNGVJFIT-SQGPQFPESA-N 408.499 1.127 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1301615216 HRBKRXDFPFPXFT-UHFFFAOYSA-N 416.551 1.478 30 10 HDEE Cc1ncsc1CCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1304073271 DABONIMISNWZIA-SFHVURJKSA-N 403.487 1.850 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3c4ccccc4C[C@H]3C)ccc2F)C1 1304596210 MVFDIIUYNICKFD-CQSZACIVSA-N 414.458 1.786 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCN1CCOCC1 1304856288 MVMZOXKGDHQYPL-UHFFFAOYSA-N 410.526 1.292 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)c2nccs2)CC1 1311922886 NOFYYIPPKXIKAW-INIZCTEOSA-N 419.532 1.027 30 10 HDEE COC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 1337434176 LLGPJOROGAIFBW-MRXNPFEDSA-N 405.451 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1358890611 RYNRPMZYARMONV-MDOVXXIYSA-N 420.510 1.685 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)F)c1 1358902541 RDUYEFFFXYNJMS-AWEZNQCLSA-N 420.395 1.848 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@@H]2C1 1358924541 AFFWRHUQAOFOEL-KRWDZBQOSA-N 411.506 1.897 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359132732 DJVLBFOGDIPXFO-RDJZCZTQSA-N 404.515 1.415 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359228438 CVDUVHFBHNNDQA-SJORKVTESA-N 416.482 1.847 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1)C1CC1 1359246961 PQLPDELLVSOJAE-YWZLYKJASA-N 419.551 1.951 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CC[C@H](SCC)C1 1359303277 IZWVUAOBRJLBJZ-CVEARBPZSA-N 420.583 1.813 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)CN2CCOCC2)C1 1359320232 NTHXTCPJJDEEAO-VAMGGRTRSA-N 419.570 1.922 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(N)(=O)=O)cc(F)c1C 1443160672 MYHLHBDSFWLLQH-UHFFFAOYSA-N 405.451 1.942 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1443946505 PSPOYFBSNZXJLS-NSHDSACASA-N 402.469 1.161 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(N2CCOCC2)nc1 1447450171 LLEXNBVTFPDNRZ-UHFFFAOYSA-N 418.450 1.631 30 10 HDEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCN(O)C3=O)ccc2F)cc1 1450170901 VWHUJHILGVIKSU-OAHLLOKOSA-N 423.422 1.355 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)CC1 1453156224 CFJZKONVXXTFBW-UHFFFAOYSA-N 406.508 1.260 30 10 HDEE C[C@@H](CC(=O)Nc1ccn(C2CCOCC2)n1)/N=C1/NS(=O)(=O)c2ccccc21 1453571141 YZRFOUUDISFZAD-ZDUSSCGKSA-N 417.491 1.690 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)ccc1F 1455157350 SVVJYFZMYLMZAC-LBPRGKRZSA-N 405.442 1.607 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1 1455192109 QCYHAEBWQCWLDV-SJORKVTESA-N 407.555 1.589 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)C1 1455705174 OHNGXKLDULIVPQ-DLBZAZTESA-N 409.577 1.671 30 10 HDEE C[C@@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ncon1 1456161697 KBSPESOADLIBER-ZDUSSCGKSA-N 405.480 1.588 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)nc1 1470913273 AICWBGNEJSYVLP-AWEZNQCLSA-N 419.438 1.103 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)N[C@H]1Cc3ccc(C#N)cc3C1)C2 1471145742 XBINHCBRQZQEKC-SFHVURJKSA-N 410.499 1.701 30 10 HDEE N#CCCN1CCN(C(=O)c2cccn3c(I)cnc23)CC1 1471237365 RKQSVYSVEIAXOX-UHFFFAOYSA-N 409.231 1.610 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1C#N 1471250075 XPMWCPUDJMUDCM-GOOCMWNKSA-N 423.564 1.511 30 10 HDEE C[C@H](NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc2ccccc2o1 1473850427 NPMORYRCCZXSLT-JZJQHEAOSA-N 401.488 1.869 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1478404519 SHHOMFXXMGYHJN-CHWSQXEVSA-N 423.543 1.748 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1479008839 XHLNGLPAMLPMKC-ZDUSSCGKSA-N 407.471 1.435 30 10 HDEE Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1492974564 FXFWPFDCEUFLMW-FARYLTDUSA-N 404.381 1.633 30 10 HDEE CCOCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503180115 CXJCTMDXVGMCMR-UHFFFAOYSA-N 408.466 1.640 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N(C)[C@H](C)CC#N)n1Cc1nnn(C)n1 1504097466 AXOIOMYRIRJRDC-LLVKDONJSA-N 401.862 1.917 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1504849384 KPEYIPHDTBMWSE-QFIPXVFZSA-N 424.505 1.822 30 10 HDEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1505044660 OQBBULMSSQDVTA-UHFFFAOYSA-N 416.482 1.799 30 10 HDEE CSCCCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1505256103 ZHZUJUBHNOWCOP-OHTQGHCMSA-N 420.539 1.498 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)CC1 1505320947 ASJMPMXRIYTJEK-UHFFFAOYSA-N 409.494 1.253 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1507563129 COWLSGUJJGDYHA-DLBZAZTESA-N 414.510 1.352 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1507722081 YPKHOQOZGSESKN-FQEVSTJZSA-N 401.898 1.505 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](CC)OC)CC1 1507742547 LOQDMYQPLBAHQT-LJQANCHMSA-N 410.522 1.655 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CC#C)CC1 1507749160 WIHBCQJXOPRBDS-UHFFFAOYSA-N 423.542 1.838 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](C)(C(N)=O)C1 1507755965 JYOZXFMNKVMWOQ-OAQYLSRUSA-N 413.547 1.946 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1507797507 DKWYMCCQNVKOQQ-DAYGRLMNSA-N 404.515 1.171 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1507829597 DXTNMAXJMMUXGM-OAHLLOKOSA-N 410.544 1.104 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507902759 NIBGSWGTQUZEGU-HNAYVOBHSA-N 407.540 1.061 30 10 HDEE C=CCCOCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1507965981 KBRSOYLTRFRNBP-MRXNPFEDSA-N 418.542 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C)C(=O)[C@@H]1C 1508081725 NKIQOGVCUOFALF-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCC[C@@H]2C)CCOC1 1509818686 SOIDKZIKCVBNJB-XWDORNJCSA-N 419.526 1.599 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1509948303 DMHNSFCSMQOCEW-ZDUSSCGKSA-N 421.483 1.483 30 10 HDEE C[C@@]1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1510351074 XKRRNSXEZDVFFJ-DENIHFKCSA-N 411.506 1.988 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCn2ccnc2C)n1 1511716908 HVXRCHGYHIXRCA-IBGZPJMESA-N 423.525 1.854 30 10 HDEE CCn1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)C[C@H](C)C#N)c1=O 1515791530 HDNKCRPXGXCHRJ-NJAFHUGGSA-N 414.510 1.828 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)CC1 1524010285 FIHCPMHCCLNTDC-INIZCTEOSA-N 421.538 1.684 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1526520594 DREREOLNJVGSOL-OHQAAIJDSA-N 408.520 1.948 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C1CCOCC1 1532934746 SXLNSQLWDXTSHD-MHORFTMASA-N 406.548 1.828 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1536998641 XSOOMFJIWZWUJI-UXHICEINSA-N 410.430 1.515 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)CC(F)(F)F 1538972734 LJYVPIDAVTWYGF-OLZOCXBDSA-N 424.493 1.230 30 10 HDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 1539132889 SAOVDTXXDNLHHL-UHFFFAOYSA-N 420.517 1.990 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539218817 DSCIUTZGBAQYRG-GOSISDBHSA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[S@@](=O)CC 1539241461 DKBWWUGDFWFQRW-DEOSSOPVSA-N 408.325 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CC1 1539300216 SNISXAPJECUIJA-WTYVLRPYSA-N 404.536 1.304 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539438309 VHDXDOZCNSLGLA-MRXNPFEDSA-N 403.508 1.036 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCC(F)F 1539557458 UMVKQCAZEQHVLW-CXAGYDPISA-N 402.467 1.454 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 1540624407 AJACYVIHPCOWCP-UHFFFAOYSA-N 413.540 1.131 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCOCC2(C)C)C1 1540889895 VTZXRXSSRUWUNF-QGZVFWFLSA-N 413.526 1.627 30 10 HDEE CCc1nnc(N(C)[C@@H]2CCCc3c2cnn3C)n1CCN/C(O)=C1/N=CC=CC1=O 1546410945 UCOTVFUYNRVCQN-MVZUJROASA-N 424.509 1.614 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCC(O)CC2)CCO1 1555994918 LJMHLKJUBCCGRP-SFHVURJKSA-N 416.551 1.506 30 10 HDEE COc1cccc(N(CC(=O)NCCn2cnc(C#N)n2)C(=O)OC(C)(C)C)c1 1556514815 AIZIAWJJOUTLBI-UHFFFAOYSA-N 400.439 1.716 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCCCN3CCO)CC2=O)cc1Cl 1556714869 SKAIRMMAVBVSFN-WBVHZDCISA-N 404.898 1.528 30 10 HDEE C#CCN(C)CCCNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 1556828537 VHIMFZVNNYKMSI-KNQAVFIVSA-N 401.507 1.874 30 10 HDEE C#CC[C@@H](NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1556970947 NASYIJQJVMAUQO-CYBMUJFWSA-N 416.293 1.683 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(C#N)CCC3)CS(=O)(=O)[C@H]2C1 1557066251 MBRCVXAUIMXTKR-KFWWJZLASA-N 411.524 1.467 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)Cn1cc(C#N)c(O)nc1=O 1557155011 CDMFKMHNROLGOJ-XQQFMLRXSA-N 405.455 1.065 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3nc[nH]n3)CC2)C1 1557257825 WKLLMZQKQUAMEP-UHFFFAOYSA-N 416.283 1.224 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 1557352001 KWHAHAQUCSWCLM-NOSVLQHXSA-N 424.501 1.405 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1561798672 RQNMEVPSPVJCSS-AWEZNQCLSA-N 418.309 1.871 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2c(Cl)cccc2OC(F)F)c(=O)nc1O 1565219363 TUZKKVUVRCSZMQ-UHFFFAOYSA-N 413.768 1.575 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)c1 1565595260 GUPBJQJOYVAJMN-KRWDZBQOSA-N 401.419 1.658 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)cc1 1568181222 LPRWYLBRDCYVFK-UHFFFAOYSA-N 423.878 1.783 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]12CCCN(CC1)C2 1583054746 OQEVOPSAXWOBMD-DYESRHJHSA-N 418.563 1.886 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1583214045 PXGDJMDFJOCECA-GJZGRUSLSA-N 403.545 1.776 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cnn2c1S(=O)(=O)N(C)CC2 1583723978 POMQAAWHXARXMC-UHFFFAOYSA-N 401.492 1.687 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@H]1CCC[C@H]1C#N 1587115855 VVWPNAXFPWVEIT-UWVGGRQHSA-N 406.327 1.940 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCCCC1 1587561500 FBXRHKHNBTYKNS-JKSUJKDBSA-N 410.588 1.611 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1588083686 IFBREOZHKXAGDN-VGSWGCGISA-N 411.481 1.697 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1588084740 VYEOQHHSFJLBJK-MRXNPFEDSA-N 424.530 1.685 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COCC2 1588245864 SZMDPWRUVBLEKK-UHFFFAOYSA-N 417.513 1.984 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1588250487 DNGVZABPCFHOQE-OAQYLSRUSA-N 419.485 1.997 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cn(C3COC3)nn2)CC1 1594192754 LASCWWMXLVVLDQ-HNNXBMFYSA-N 417.514 1.616 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 1594733295 QIIGNQWKBCWIAP-QGZVFWFLSA-N 420.539 1.609 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C)C1 1595804560 CKWNCOWHPWCQMV-HNNXBMFYSA-N 408.499 1.834 30 10 HDEE C=CCSCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1595906059 XDDJRBMLSDQVNS-LPHOPBHVSA-N 407.540 1.967 30 10 HDEE CC[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](c1ccc(C)cc1)n1cncn1 1596452079 DUHHPIOBBMJZPS-HKUYNNGSSA-N 421.461 1.295 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)CC2)cc1 1596589041 DHZUWQQUWQPVDN-UHFFFAOYSA-N 414.487 1.898 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1596822771 NEDRYDDFTVCWPA-DOTOQJQBSA-N 412.494 1.680 30 10 HDEE Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C(=O)N1CCO[C@](C)(C#N)C1 1598179460 ZZPOSXTZKFSHQG-LJQANCHMSA-N 403.460 1.821 30 10 HDEE COC(=O)C1(N(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C2CC2)CCC1 1598407976 ZBTJXFZYAFZHGF-KRWDZBQOSA-N 424.457 1.850 30 10 HDEE Cn1c(NCc2ccn(-c3ccc(Br)cc3)n2)c(C#N)c(=O)n(C)c1=O 1612899555 QJNDUTUKCFTRDB-UHFFFAOYSA-N 415.251 1.516 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)OCCOC)n1Cc1ccc(C#N)o1 1614068189 YVQQPPQFBPXBRK-XJKSGUPXSA-N 402.455 1.230 30 10 HDEE COCCN(CC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1)CC(=O)OC 1615543094 FBXOZYNBZLHCMS-UHFFFAOYSA-N 402.451 1.678 30 10 HDEE C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@@H]12 1616175310 UNHCGMLYZQDOFR-QTVXIADOSA-N 413.421 1.258 30 10 HDEE N#Cc1cccc([C@@H](NCC(=O)N2CCN(c3cnccn3)CC2)C(F)(F)F)c1 1620526766 SHRVGHFDDXPFJD-GOSISDBHSA-N 404.396 1.890 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1622506131 CGYRPGGDMDPLLX-QGZVFWFLSA-N 410.492 1.825 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OCC 1622506774 ZNKVEYHFXVZSNJ-VIFPVBQESA-N 415.942 1.981 30 10 HDEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)[C@@H]1n1cccn1 1624304387 VITZCFSTXBIMOB-YQCJVTJNSA-N 401.467 1.413 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2cccc(C#Cc3ccccn3)c2)[C@H]1c1cnn(C)c1 1624872908 IJJLUWIWECGTDA-NJDAHSKKSA-N 415.453 1.344 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1=O 1626245760 ANTWGRUYMWDWCN-NVXWUHKLSA-N 424.542 1.287 30 10 HDEE Cc1c(NC(=O)CNC(=O)c2ccc(C#N)cc2)cccc1S(=O)(=O)N(C)C 1626379438 DMAKTGIFASEKFW-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1627475612 JSYANJKMOPIHOF-ZBFHGGJFSA-N 421.519 1.743 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC[S@@](C)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1628486963 WFTZDHBSUMVANJ-GDLZYMKVSA-N 420.384 1.431 30 10 HDEE C[C@H]1C(=O)Nc2ccccc2CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629140558 GCEPWFWABUEJBA-ZDUSSCGKSA-N 412.471 1.485 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1[C@H]1CCC(=O)N1 1630858187 IEBNPVVIROMDAR-MRXNPFEDSA-N 412.471 1.705 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1630988757 CMUYFQLUSUBTIO-OTWHNJEPSA-N 417.531 1.479 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 1631763532 IHTRYUSKMNVOAQ-FGTMMUONSA-N 415.515 1.510 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C(C)(C)C)c2)CC1 1632960522 ISFFLFABAOJPJM-MRXNPFEDSA-N 407.536 1.363 30 10 HDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C[C@@H](C)N1C(=O)OC(C)(C)C 1633631051 CGUAMYWRUCQBGO-BETUJISGSA-N 405.455 1.067 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN[C@@H](c4cn[nH]c4)C3)C2)C1 1634964295 DNCUNSDXRLKHEW-VYAKWRIJSA-N 414.510 1.669 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1nnc2ccc(Br)cn12 1635800574 VMQIWPQATYOSPH-BUHFOSPRSA-N 405.212 1.347 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC(C4CS(=O)(=O)C4)C3)CC2=O)cc1Cl 1636074778 NDOZZOCTGCHLRF-LBPRGKRZSA-N 407.879 1.068 30 10 HDEE C=CCn1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1 1637938321 SEAAIOGLSMVYOA-INIZCTEOSA-N 418.498 1.148 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)C3CC3)CC2)s1 1639090098 IFENHHSBUMMNME-UHFFFAOYSA-N 411.549 1.272 30 10 HDEE COC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 1640010749 BXCQOPRSLSCEMM-GOSISDBHSA-N 403.460 1.349 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC(n3cc(C(N)=O)nn3)CC2)sc2c1CCC2 1643848906 HCWQSPIEDHFOQD-UHFFFAOYSA-N 413.507 1.465 30 10 HDEE COC(=O)C1=NO[C@]2(CCN([C@@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 1644215785 QGEBNRUATNYBGU-JEOXALJRSA-N 402.476 1.829 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(c2ncc(I)cn2)CC1 1648472143 MIMDBWATMXXGLE-UHFFFAOYSA-N 424.267 1.843 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1653211099 NTDWXOCNRRMLHL-UHFFFAOYSA-N 408.480 1.838 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCC#C[C@H]1CCCCO1)N2C(=O)OC(C)(C)C 1653545240 YLQSFKUNGNPMQJ-RSJGLCBASA-N 420.506 1.862 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1 1653798661 MJVVICKUPGDNBD-SWLSCSKDSA-N 402.398 1.333 30 10 HDEE Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1657321179 SCFSSRAYDKFGMD-VQTJNVASSA-N 415.534 1.978 30 10 HDEE CC(C)O[C@@]1(CS(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCOC1 1660579901 FZIMHHDQJMKHRR-IBGZPJMESA-N 411.499 1.733 30 10 HDEE C#CCN(C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1)C1CSC1 1667637684 HKIIBSYBVYNQQY-UHFFFAOYSA-N 400.548 1.976 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 1671494789 FRCQFUGWXXUILH-XHSDSOJGSA-N 401.467 1.661 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 1681988868 FKEMWBRBSAWBGQ-JCNLHEQBSA-N 410.927 1.381 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NC1(c2cccc(C#N)c2)CC1 1685113938 QGVGYKUPMBRTAF-UHFFFAOYSA-N 419.485 1.621 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CCN(c2cnccc2C#N)CC1 1685433747 CIWOJEQZOQNZPF-UHFFFAOYSA-N 404.471 1.631 30 10 HDEE C=CCN(CCc1ccco1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685668823 FLEVSPBWEFTKNX-LFDOHDQPSA-N 424.519 1.919 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689991321 ZSBJKSDSRSPTRD-JKSUJKDBSA-N 406.533 1.519 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCCN(CC)S(C)(=O)=O 1690011109 BKWLBFOUZQQXDP-UHFFFAOYSA-N 417.510 1.829 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCOC[C@@H]1OC 1690034953 XGQWDQAKTKJFMT-DXIQSLLYSA-N 416.522 1.445 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](F)COC)CC1 1690113344 HFRQAHHGPQYGRS-YLJYHZDGSA-N 409.506 1.058 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](CC)C1 1690675356 YEVTXESRTFWSFW-AWEZNQCLSA-N 418.523 1.187 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](C)C1 1690729161 HRYVHWPTZQTAPW-IRXDYDNUSA-N 422.555 1.354 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1691320106 BNUHNKGQFHXFON-MRXNPFEDSA-N 418.523 1.206 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1692696066 DOBTWCPDZMGODK-LPHOPBHVSA-N 407.478 1.266 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1695719446 DFGRQICIAKNMOC-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OC)nc1 1698172091 UPOSVQOHZIUWQZ-ZBFHGGJFSA-N 402.455 1.183 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1cccs1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1705570223 LTKGKXKZFHKIKO-CVEARBPZSA-N 421.592 1.832 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCC(C)C 1705599201 WHVRROSEZLYEPL-WIYYLYMNSA-N 420.579 1.830 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCN1CCOCC1(C)C 1705600401 XQYCFNFNFNNPPV-UHFFFAOYSA-N 406.534 1.838 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1705611406 BZURTCYKHKSSKO-GOSISDBHSA-N 418.505 1.935 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1705746125 QOPQKLRWKQWIMC-SJORKVTESA-N 413.950 1.913 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705890831 LDKRYBLWTWNWTC-BBWFWOEESA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](Cn3nc(C)cc3C)C2)nnc1C(C)(C)C 1705908888 IWMOFUGCTMFEII-QGZVFWFLSA-N 415.542 1.597 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCNS(=O)(=O)CC)C1 1705919970 NOVROCJLWBFLLX-OAHLLOKOSA-N 409.512 1.567 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1708257452 IDRIWLRBRLTLQX-AWEZNQCLSA-N 406.450 1.195 30 10 HDEE CCn1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)c1=O 1710192290 DPCBXAIGEWRKCC-GOSISDBHSA-N 405.462 1.223 30 10 HDEE CN(CC1CCCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1711140914 AVKMBHOWZNAPLP-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1712698085 YVJBDNCEBZHREG-QGZVFWFLSA-N 422.442 1.730 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722315949 WSXVHECMNBAVRV-MJGOQNOKSA-N 414.554 1.722 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1722330553 VPPCNXRZYDSBKY-UHFFFAOYSA-N 409.494 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1C[C@@H](C)CN1CCOCC1 1722399312 MTOYDTQHDJNQLV-FQEVSTJZSA-N 406.534 1.695 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H](C(C)C)N1CCOCC1 1722416692 PGHZPRFQFFUMFK-SFHVURJKSA-N 402.543 1.217 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccc(O)cc2)CC1 1722429577 ODDXKLBZEXGNKC-UHFFFAOYSA-N 408.506 1.218 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1722533655 CBURZUPZBSHPHC-ROUUACIJSA-N 402.499 1.656 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cccc(OC)c2)CC1 1722724174 PBQRXZHYVSIPQB-UHFFFAOYSA-N 405.524 1.523 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCc1ccco1 1727608183 SKQGWZKMXVEBPR-UHFFFAOYSA-N 420.477 1.343 30 10 HDEE CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1728715818 YFKKBGIIVDEOHM-OAHLLOKOSA-N 424.465 1.906 30 10 HDEE Cn1ccc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)n1 1729586968 YMNOVNOIVOQBTQ-DLBZAZTESA-N 409.450 1.746 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1 1729673018 ORZSPEKRBKMQCW-KRWDZBQOSA-N 400.458 1.764 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(O)CC1 1740663411 IMAFMGMIULHJGI-UHFFFAOYSA-N 402.524 1.531 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1740663694 QBSWXWZREFBQPH-LJQANCHMSA-N 410.540 1.357 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cc(C)nn2C)CC1 1740689653 YLRIZVDMBNJUQF-UHFFFAOYSA-N 412.542 1.042 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740886573 LKFIJPVLNMWTQF-DLBZAZTESA-N 416.526 1.241 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740955283 OSRUCNLFLGPMOH-ROUUACIJSA-N 424.505 1.503 30 10 HDEE C=CCSCCn1c(N2CCN(S(C)(=O)=O)[C@@H](C)C2)nnc1C(C)(C)C 1741004546 DVXBBBPPNKWAQV-AWEZNQCLSA-N 401.602 1.965 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCSC1 1748655944 IWEBSEGUSYCHNN-AUUYWEPGSA-N 410.507 1.247 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1748682218 SRSSDZBGXXASTJ-HNNXBMFYSA-N 414.535 1.700 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748729779 ALRLCEWABAUIQG-FGZHOGPDSA-N 415.538 1.981 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCN1CCc2ccccc2C1 1748958687 GAXPYRANXNTWFX-UHFFFAOYSA-N 419.533 1.823 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccnc2OCCC)CC1 1748986884 KVELGMSWSJTIHL-UHFFFAOYSA-N 420.521 1.666 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749354787 ZEYNWKBGMGYXFN-KUHUBIRLSA-N 424.571 1.350 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@H]1C 1749434220 LOJKQTVHRROUFA-CQSZACIVSA-N 402.524 1.903 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)CC(=O)NC(C)C 1749661100 YHXGMVDPAWVZAX-UHFFFAOYSA-N 400.483 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1749721755 SSAOCVZPNDQJAV-KRWDZBQOSA-N 411.572 1.161 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](CC(N)=O)C1 1749727453 UXQKBWTYSJRRQR-MRXNPFEDSA-N 417.535 1.638 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1 1751652320 DYUKHBPQFLQDKP-SFHVURJKSA-N 401.467 1.293 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1760121872 WBXRSFKLIBXVNL-OAHLLOKOSA-N 412.519 1.552 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCCN(C(C)=O)CC1 1760157182 HGLWBEUSWUBKJD-UHFFFAOYSA-N 414.535 1.742 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760188010 YVZYKXXHBRDNAV-KRWDZBQOSA-N 417.535 1.555 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(N(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1760189646 QLTSIAIMDDICJK-LJQANCHMSA-N 413.547 1.897 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1760205941 NNVPEHXBQHIGSP-CYBMUJFWSA-N 420.445 1.029 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(F)c2F)CC1 1760251650 FRXJABWOVPPOBF-UHFFFAOYSA-N 416.476 1.692 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1760255193 DYHCWVCUMLKKAP-UHFFFAOYSA-N 403.490 1.098 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1760289548 QDGACSMNPLDYHQ-MLGOLLRUSA-N 409.541 1.089 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1760464561 KBOCRKILXBMOIX-SFHVURJKSA-N 403.552 1.934 30 10 HDEE CC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1762338076 VZXDBULEPFMAJP-FGTMMUONSA-N 413.478 1.602 30 10 HDEE CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1765274900 JBJSJZZIIHCZKG-KGLIPLIRSA-N 405.480 1.308 30 10 HDEE CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1767562151 CDPKXNRLXRGIQB-KRWDZBQOSA-N 423.477 1.863 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1767958769 BFOQJDKTDINBKB-IXDOHACOSA-N 406.531 1.431 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1767958770 BFOQJDKTDINBKB-YESZJQIVSA-N 406.531 1.431 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1770342580 DQVMXFFULLKCNV-RDTXWAMCSA-N 419.486 1.064 30 10 HDEE NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)ON1C(=O)c2ccccc2C1=O 1772790364 NDRDZKXSZCETPJ-MRXNPFEDSA-N 415.446 1.462 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cn[nH]c1)C(=O)ON1C(=O)c2ccccc2C1=O 1772793793 XUOJTFJTRJSADG-CQSZACIVSA-N 400.391 1.600 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)NCc2ccc(C#N)c(F)c2)CC1 1850240010 HXFXWGIADXFKGR-UHFFFAOYSA-N 408.433 1.932 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)CC1 1850474565 AANKYRMTHRUZOV-IBGZPJMESA-N 407.536 1.569 30 10 HDEE COc1ccc(Cn2cc(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)nn2)cc1 1852553810 SSJUQEBVMFCUKE-KRWDZBQOSA-N 406.402 1.579 30 10 HDEE COCCN1C[C@H](C(=O)Nc2c(C#N)cnn2-c2ncccc2C(F)(F)F)CC1=O 1853003087 GLGBCMZUNKKSIU-LLVKDONJSA-N 422.367 1.591 30 10 HDEE Cc1ccc2nc(COCCN3CCN(c4ccc(C#N)cn4)CC3)cc(=O)n2c1 1853187423 ZKXGOJHGDWWABR-UHFFFAOYSA-N 404.474 1.608 30 10 HDEE COC(=O)C1=C(NC(=O)[C@@H]2COCCO2)c2ccccc2[C@@]1(C#N)c1ccccc1 1853332256 SUHNGMJNTCBVRQ-FDDCHVKYSA-N 404.422 1.926 30 10 HDEE NC(=NOCCC(=O)N1C[C@H]2C[C@H]1CS2(=O)=O)c1ccc(C(F)(F)F)cc1 1853575110 XDSYNGURWQFHBL-QWHCGFSZSA-N 405.398 1.130 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1C 1853948302 MKTRKVTWQLHXGP-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE CC(C)N([C@H]1CCCCN(C(=O)c2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1854035693 XYPPOUOJCPCSGX-MOPGFXCFSA-N 417.531 1.977 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2OCCc3ccccc32)C(=O)C12CCCC2 1854424360 MFBSQBZIGMNHGP-KRWDZBQOSA-N 417.487 1.137 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(S(=O)(=O)Cc3ccccc3)CC2)CCC1=O 1854831932 WENGJRRWLJOETL-SFHVURJKSA-N 417.531 1.745 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)C3CC4(COC4)C3)C2=O)C1 1854869004 FONSEUXMTLSVAI-SFHVURJKSA-N 410.474 1.351 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(Cl)cc3Cl)C2)CC1=O 1855002804 SXUSKHYJSFVFBW-AWEZNQCLSA-N 423.300 1.835 30 10 HDEE CC(C)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)CC1 1855147197 OXHIERHLZLMMSA-UHFFFAOYSA-N 404.492 1.121 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C3CC3)C2)CC1 1855450727 GORVGHUMUUKBAC-KRWDZBQOSA-N 401.488 1.744 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3C[C@H](CN(C)CCC#N)CCC3=O)CC2=O)cc1 1855537416 HRKFRRKHPIZXEQ-IRXDYDNUSA-N 412.490 1.659 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)C[C@@H]3CCCCO3)C2=O)CC1 1855909115 HGBGUJCXDCQYDX-OALUTQOASA-N 411.506 1.552 30 10 HDEE CCn1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)cc1=O 1855944723 UIGPHSQCKPUSBU-MRXNPFEDSA-N 408.458 1.492 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(Cn3nc4c(cc3=O)CCCC4)CC2)CC1=O 1856432307 LVIJKOZSSYREJV-QGZVFWFLSA-N 411.506 1.123 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC3(CC2)C[C@H]3C#N)CC1=O 1857223269 FKYVERFUDNOTEO-HOTGVXAUSA-N 415.515 1.704 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(C(=O)NCCN3C(=O)CSC3=O)CC2)c1 1860614713 LZAKQLBMNYBGFE-UHFFFAOYSA-N 400.460 1.222 30 10 HDEE C=CCN1C(=O)c2cccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C1=O 1865827627 DZAIXDPMFURFJE-UHFFFAOYSA-N 415.427 1.134 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[C@@H]1CCS(=O)(=O)C1 1868598468 LBOMPJVAZXMBIH-HKUYNNGSSA-N 422.522 1.878 30 10 HDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871540974 MIJJGTYNSGWPAI-UHFFFAOYSA-N 402.499 1.673 30 10 HDEE COc1cc(/C=N/N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)Nc1ccccc1 1873471078 VUHXENUUBOLYGX-KKJJZKEWSA-N 417.487 1.823 30 10 HDEE CO[C@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)N(C(=O)OC(C)(C)C)C[C@H]1OC 1878008384 JUCYEDKXKGPHPO-QLFBSQMISA-N 420.418 1.390 30 10 HDEE CC(C)(C)OC(=O)NC1CCS(=O)(=NS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2118163978 VIYFGXHDQWLRCJ-DIKCAXGCSA-N 406.530 1.232 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)[C@](C)(CO)C1 2174782361 PPWFXLCZYDJFOK-KRWDZBQOSA-N 401.529 1.704 30 10 HDEE CO[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 2174785993 FEPWOLKGJKGOSK-QLFBSQMISA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC[C@@H](C#N)C1)CC(F)(F)F 2174787178 REYJTNQPHNPXKW-NWDGAFQWSA-N 414.450 1.902 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC[C@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 2174787382 SWKDHDKONVPDFZ-QAPCUYQASA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1(F)F 2174787707 XCSPEYBFDXTFOC-QWHCGFSZSA-N 408.471 1.701 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC(C2(O)CN(C(=O)OC(C)(C)C)C2)CC1 2176910889 LEZJUEWGEFUVMD-UHFFFAOYSA-N 401.529 1.560 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177630626 GQFDEEASOBZAMG-QWRGUYRKSA-N 403.331 1.589 30 10 HDEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)NCS(C)(=O)=O 2203124319 IBTAAKCFFLHSMG-LLVKDONJSA-N 402.347 1.752 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)N(C)C(=O)OC(C)(C)C 2243387507 VPBSLVUAQSSVSQ-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243418792 LHQKTPRHLGBHJD-UHFFFAOYSA-N 408.308 1.742 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2243423998 JLTMNNPDHOSUPH-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813063 IVYLZKLTTLYENG-CHWSQXEVSA-N 420.319 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2247860993 DZQCYDXPICCYPJ-UHFFFAOYSA-N 418.303 1.469 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247863947 YIHKINNSTHUGOT-GJZGRUSLSA-N 421.303 1.336 30 10 HDEE CN1CCN(C(=O)[C@@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2247937499 MSIUWAONHJRTDE-UPJWGTAASA-N 419.253 1.290 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248403929 HISVKDIIGXOAFM-WFASDCNBSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)nc2)OC1(C)C 2255842610 UUEOPDZABXXRJI-ROUUACIJSA-N 420.322 1.636 30 10 HDEE COC(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356504 YWKSCXWBXVOSSY-UHFFFAOYSA-N 409.722 1.542 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@]2(C#N)CCSC2)OC1(C)C 2267709401 BAMUGAFKKORYCT-OAHLLOKOSA-N 400.356 1.725 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2281803412 WPQOENQWZRUMEY-NWDGAFQWSA-N 400.331 1.138 30 10 HDEE CCn1cc(C(=O)N2CCCC[C@@H]2C2OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282034227 FGOUOHMBKKHGCW-OAHLLOKOSA-N 405.304 1.570 30 10 HDEE CCN(CC(=O)OC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322543 NPKLRUVYKDCTRS-UHFFFAOYSA-N 403.331 1.539 30 10 HDEE CO[C@H]1CCOC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339106 SARVFBRLKZWLBG-STQMWFEESA-N 403.331 1.130 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282492057 NHCHRQUBZDJYEM-QWHCGFSZSA-N 400.375 1.774 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](C)CCO)c1B1OC(C)(C)C(C)(C)O1 2282498371 CKUZWPDMVUOJSS-NSHDSACASA-N 403.375 1.961 30 10 HDEE C=C(CS(=O)(=O)NC[C@H]1CCS(=O)(=O)[C@H](C)C1)B1OC(C)(C)C(C)(C)O1 2282506833 YCKBVFSDHRGLSR-KGLIPLIRSA-N 407.363 1.307 30 10 HDEE CCc1nc(C(=O)N=[S@@](C)(=O)C[C@@H](C)N)c(B2OC(C)(C)C(C)(C)O2)s1 2282524037 GVFWPFRLPSRXLX-SKVICXGVSA-N 401.363 1.590 30 10 HDEE CCc1nn(C)c(C(=O)N2CCC[C@H]2C2OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282574853 UXYJLHFHUUHNTH-AWEZNQCLSA-N 405.304 1.259 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282615401 OXESMPDXJFPACY-UHFFFAOYSA-N 422.765 1.370 30 10 HDEE CO[C@]1(CO)CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282642254 KUHOUVHZCLDDGJ-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCc1csc(Cl)c1 2282839801 JFYLTYYNAMNFOO-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CN([C@@H]1CCC[C@@H]1CN)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855473 FICPMKBTTBBLKF-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877748 WILVAKMJVJNZJK-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCCOCCC(=O)O)c2Cl)OC1(C)C 2284445717 LRXADTWXKLTWNJ-UHFFFAOYSA-N 403.693 1.922 30 10 HDEE CN(CC1COC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2285339967 XOARYHJOZZZNGC-UHFFFAOYSA-N 401.721 1.906 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2O[C@@H]2CCN(S(C)(=O)=O)C2)OC1(C)C 2285598430 CWGJZWMIGKWYOI-GFCCVEGCSA-N 402.709 1.447 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2288517598 KSEXULCFTRYKKD-UHFFFAOYSA-N 411.471 1.112 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2COC(=O)C2)c1B1OC(C)(C)C(C)(C)O1 2296238132 BXDJIUYEOZMZLL-LLVKDONJSA-N 401.315 1.258 30 10 HDEE CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNC23CN4CN(CN(C4)C2)C3)C1=O 2297548899 LDUDCIJZGDZOTK-UHFFFAOYSA-N 408.458 1.022 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)NN=Cc1cc([N+](=O)[O-])c(O)cc1O 2323388439 ZFMZNXUYJPDRTP-UHFFFAOYSA-N 401.784 1.980 30 10 HDEE CCN[C@H](C#CC(C)(C)OC)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363595344 HXXBKAXQXYWGPQ-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C(F)(F)C1 2365208021 BQMZRRXGUYUEAW-WBMJQRKESA-N 410.483 1.148 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367785122 CPAXIRZQWIMJAO-KGLIPLIRSA-N 413.565 1.877 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCCOC)NC(=O)OC(C)(C)C 2367789222 QZPAPZXGGKKYLM-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)C[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367789796 FJYFVJCFXSHZLP-CVEARBPZSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CC(C)(C)OC)NC(=O)OC(C)(C)C 2367790905 ICDCCFKKDSUBBQ-HUUCEWRRSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@H](C)O1 2367791801 ZVJODGXXOCFTSG-JJXSEGSLSA-N 400.541 1.616 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367809227 LFGNWHBVNFRFBO-KDOFPFPSSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]1(C)[C@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367812854 XOQHWCYOXYGIIA-BMGDILEWSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367816441 ORUQEBCZQYVHJH-HVEKOLDVSA-N 400.541 1.340 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367822913 XRHHKUAPHUGMBA-ZRGWGRIASA-N 400.541 1.340 30 10 HDEE C=CCC1(N[C@](C)(CS(C)(=O)=O)C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2371206126 BBHMKDLBGVHUBH-QGZVFWFLSA-N 404.529 1.810 30 10 HDEE C#Cc1cnn(C2CN([C@@]3(C(=O)O)CCCN(C(=O)OCc4ccccc4)C3)C2)c1 2373200606 BVHJFFRJSJNEFX-QFIPXVFZSA-N 408.458 1.977 30 10 HDEE CCCN[C@@H](C#CC(C)(C)OC)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379884101 RJWBJCBFPJKKQR-HNNXBMFYSA-N 402.557 1.817 30 10 HDEE COc1ccc(C(=O)/C=C\Nc2ccc(S(=O)(=O)N=C(N)N)cc2)c(OC)c1 2820079 AWVVMCKKDMNTCP-KTKRTIGZSA-N 404.448 1.474 30 10 HDEE C[C@H](/C(N)=N/O)N(C)S(=O)(=O)c1cc(Br)ccc1Br 45145820 GTIOZTXTKSQWJY-ZCFIWIBFSA-N 415.107 1.967 30 10 HDEE C=CCOc1cccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)OC)CC(=O)N3OC)c1 72153697 BLWHNUYZBSPISD-QGZVFWFLSA-N 402.447 1.809 30 10 HDEE CCOC(=O)C1CCN(C2=NC(O)=C3C(=NC(=O)[C@@H](C#N)[C@H]3c3ccncc3)N2)CC1 72444669 JMEPSFJQOUBPNZ-LSDHHAIUSA-N 422.445 1.248 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2ncccc2Br)c1=O 312474849 XUCFXYQEPRDZGI-UHFFFAOYSA-N 402.046 1.911 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 426374755 YJQHNNPUHYUUJH-LJQANCHMSA-N 410.478 1.251 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(C#N)c(OC)c3)cc2)[nH]1 427152627 LJVIUFFNLXUGHC-UHFFFAOYSA-N 420.425 1.691 30 10 HDEE CN(C)CC1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 441952012 CIJSDVUGGRPDCU-TVPLGVNVSA-N 411.506 2.000 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])c4cccnc34)CC2)n1 464185187 IUPYLVSKFMPVFL-UHFFFAOYSA-N 424.442 1.921 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 464952513 MCRXDMUTIVITGE-HOTGVXAUSA-N 407.482 1.027 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCN(C)[C@H]2c2cccs2)CC1 466071354 AKXNBVLKEGSPLV-FXAWDEMLSA-N 419.595 1.760 30 10 HDEE Cc1ncc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)cc1C#N 489243706 XXBVFDBENAHTMP-UHFFFAOYSA-N 413.503 1.279 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 490133882 WKPRKPKBBHNFIU-LBPRGKRZSA-N 401.466 1.444 30 10 HDEE COC(=O)c1cnoc1CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C#N)cc1 505695047 ROHVPCCICNXYPD-AWEZNQCLSA-N 405.432 1.703 30 10 HDEE N#Cc1ccc(OC2CCN(CC(=O)Nc3cccc(S(N)(=O)=O)c3)CC2)cc1 507859057 JUBLRSYUBQACEY-UHFFFAOYSA-N 414.487 1.688 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(NC(=O)CC3CCCC3)CC2)CC1 512456213 KYYSYCXHYSVTPB-OAQYLSRUSA-N 417.598 1.840 30 10 HDEE CN(C)CCOc1ccc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 512527178 OMXOFLXLPFKFTI-UHFFFAOYSA-N 422.533 1.968 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CNC(=O)c2ccccn2)CC1 523560758 DVOXJYKMAFQZEA-UHFFFAOYSA-N 400.442 1.580 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H]2c2n[nH]c(-c3ccccc3)n2)C1=O 534586585 RLWLLVKLBUMHEA-AWEZNQCLSA-N 408.418 1.112 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)n1 539177996 JVHZERRCEXPINM-UHFFFAOYSA-N 414.510 1.699 30 10 HDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc([N+](=O)[O-])cc2C)c1=O 542729263 ZHZBOSDFTSSORS-UHFFFAOYSA-N 400.460 1.174 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1Cl 554911241 VSSORQKAJXGMQQ-UHFFFAOYSA-N 403.913 1.400 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 556980534 YTMFMGLSDWZFLY-UHFFFAOYSA-N 421.523 1.620 30 10 HDEE N#Cc1ccc(N2C(=O)C[C@H](N3CCC[C@@H](CNC(=O)CC(F)(F)F)C3)C2=O)cc1 560414930 JEFYTUBFVZGWER-HOCLYGCPSA-N 422.407 1.971 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)n1 562131798 BAXIVNWSGZKKDQ-BXWFABGCSA-N 419.489 1.410 30 10 HDEE CC(C)N(CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)o2)CC1)C(C)C 564645599 ADTLITNAFYQTRF-UHFFFAOYSA-N 410.540 1.787 30 10 HDEE C=C[C@H](CO)NS(=O)(=O)c1c(N)cc(Br)cc1Br 717551182 CIDAHWPLPPYUQQ-SSDOTTSWSA-N 400.092 1.619 30 10 HDEE C#CCN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@H]1CCS(=O)(=O)C1 731615258 LOIKBWHQELTFCT-SFHVURJKSA-N 401.488 1.362 30 10 HDEE COc1ccccc1-n1c(C)nnc1SCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732650488 TWHLLDQODVTZLU-MRXNPFEDSA-N 412.519 1.875 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC(CC(=O)N2CCN(C)CC2)CC1 739853151 JPUGVGUTNHZNLH-UHFFFAOYSA-N 421.549 1.959 30 10 HDEE C[C@@H](CC(=O)NS(=O)(=O)Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 744014513 QTKRTKUBTKKVQG-ZDUSSCGKSA-N 421.500 1.150 30 10 HDEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H]1CCS(=O)(=O)C1 758309605 YWAWFMCOBFXZIP-ZIAGYGMSSA-N 420.478 1.528 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760405152 KUFXSBFQKSSDNH-HNNXBMFYSA-N 419.569 1.501 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 767701227 WPNOXNADQIFZKG-MRXNPFEDSA-N 424.519 1.469 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCO[C@]3(CCOC3)C2)c1 769228849 WOCXIJXRSSOCCE-JUJXNAJKSA-N 422.507 1.523 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2F)C1=O 771260340 LLGMSSHIFPFQQY-NRFANRHFSA-N 410.405 1.789 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 774024579 SPTCTSBBWAKOPS-HLLBOEOZSA-N 406.508 1.349 30 10 HDEE C#CCN(C(=O)NCc1ccc(Br)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774186513 IBADJMKAFUZOPY-GFCCVEGCSA-N 403.273 1.920 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CN2CCN(c3ccccn3)CC2)CCCCC1 774417556 NRVNNPJCPQINRI-UHFFFAOYSA-N 405.524 1.124 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]cc3-c3cnn(C)c3)CC2)o1 778406669 LJOPWSNTHCFDCV-UHFFFAOYSA-N 423.433 1.089 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCC(Oc4cnccn4)CC3)C2=O)cc1 782887050 ORITWSNMPHAYKM-UHFFFAOYSA-N 406.446 1.613 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CCCn2ccnn2)C1=O 784125672 KYQFSCHNQGRBRS-IJVAKHEJSA-N 406.537 1.927 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CCCCC1 784546802 MYGPVDOXZPHRHE-IAGOWNOFSA-N 423.535 1.348 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)n1 789105455 JSWRGQKDKBLEAC-SFHVURJKSA-N 401.511 1.465 30 10 HDEE COc1nc(Br)ccc1NC(=O)C(=O)N(CCC#N)CCCN(C)C 789588808 GOLUCNJJFFHHEW-UHFFFAOYSA-N 412.288 1.485 30 10 HDEE COc1nccnc1C=NNc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 792868062 BLXGWDVLDDCOAH-UHFFFAOYSA-N 406.424 1.624 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCNS(=O)(=O)Cc3ccccc3)CC2)c1 795213555 UDYSCJDSHYSYNF-UHFFFAOYSA-N 401.463 1.965 30 10 HDEE C=CCN1CC[C@@H](N(C)C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)C1=O 816598409 ARQKWIGDNRPWHM-IAGOWNOFSA-N 408.543 1.468 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 817057368 BCRGRQABWZOPGS-ZFWWWQNUSA-N 409.508 1.550 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2CCN(C(=O)c3cccnc3)CC2)CC1 914603978 HSHLTEPSRAKFAW-UHFFFAOYSA-N 404.474 1.549 30 10 HDEE CC[C@](C)(C#N)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1130660320 ZZCIFRQKXTZBIV-LJQANCHMSA-N 408.524 1.203 30 10 HDEE N#Cc1c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)[nH]c2ccccc12 1136288321 PKDJIMPZTCRIJQ-UHFFFAOYSA-N 401.426 1.542 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 1136669758 OARRPFCHVFSYHM-QGZVFWFLSA-N 424.519 1.892 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1136703375 NHLMQDQDGFCHHY-KBPBESRZSA-N 424.947 1.684 30 10 HDEE CC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1NC(=O)OC(C)(C)C 1138039205 HLBCKFJXQNAANZ-UKRRQHHQSA-N 419.482 1.362 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cn(-c4ccccc4)cn3)CC2)cc1 1141411569 CGMWBAKZHRTZOA-UHFFFAOYSA-N 421.482 1.891 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C/CN2CCOCC2)cc1 1141821240 NJHONEXZVBHDSG-KGHMEUNNSA-N 406.508 1.326 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)cc1 1142252090 SLQYRCQFKAFHNM-NRFANRHFSA-N 413.499 1.420 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3cccc(-n4[nH]nnc4=N)c3)CC2)c1 1144280515 CCVHPAFUISGXTE-UHFFFAOYSA-N 402.462 1.341 30 10 HDEE CN(Cc1ncccn1)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1153008216 FNUSREKWQSYSSB-UHFFFAOYSA-N 401.492 1.734 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCc2c(NC(=O)OC(C)(C)C)cnn2C)C1=O 1155859462 ZMILIBMBVCEKBP-MRXNPFEDSA-N 405.499 1.945 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(F)c(S(N)(=O)=O)c3)C2)nc1 1156247503 NEFBYDDGQKKAHI-CQSZACIVSA-N 403.439 1.456 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@@H](O)CC1(C#N)CC1)C2 1176121262 GSRQXHBJEPBSTJ-FAPUVCABSA-N 407.511 1.819 30 10 HDEE CN(C)CC[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccnc1 1178401139 RDKYEFKWSWFECS-LJQANCHMSA-N 400.504 1.677 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C)c(C(=O)OCC)c1 1192317772 CENIRFWVMGOGHG-NSHDSACASA-N 404.282 1.597 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](C)[C@H]2CCNC(=O)OC(C)(C)C)CC1 1195778075 OOIMBFJMSQOBFK-RTBURBONSA-N 406.571 1.779 30 10 HDEE C#CCN1CCN(C(=O)CN(CCCNC(=O)OC(C)(C)C)CC(F)(F)F)CC1 1197432350 UBHSNZRSZMUKBB-UHFFFAOYSA-N 420.476 1.543 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)C1 1203600713 STUPWIKKJOCZNA-INIZCTEOSA-N 420.535 1.149 30 10 HDEE C#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 1224585719 WNHSBMGCMRDYTJ-UHFFFAOYSA-N 404.945 1.077 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 1226145190 SNKIJPHVYJWUON-SFHVURJKSA-N 422.551 1.826 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1230269120 RBFYERHAADSTPG-ZFWWWQNUSA-N 412.468 1.106 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1230820803 DTIHUTLCXZAXDK-DOTOQJQBSA-N 411.455 1.062 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CC[C@@](C)(C#N)C2)C1 1248620528 TXKRSALQQQRKOE-KDOFPFPSSA-N 414.528 1.356 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(Cc3cc(OC)c(OC)cc3C)CC2)C1 1254556361 KFUQZTSDZZFUFV-HXUWFJFHSA-N 417.550 1.933 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286386873 IVJWBMLLCLJHFT-CQSZACIVSA-N 416.532 1.415 30 10 HDEE C#CCN(c1nnc(CC)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286391032 BPDRTMZHEJBPFV-QGZVFWFLSA-N 407.584 1.589 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1286397487 ABWOCGJLWVECNR-ZIAGYGMSSA-N 407.521 1.261 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1286606289 LMMPLNXYQPZFOG-SFHVURJKSA-N 418.542 1.123 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)CC1 1286660225 HYQJFSMDXNJDQT-GOSISDBHSA-N 408.506 1.973 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1286781870 CUUAJYMMWCMLDW-ROUUACIJSA-N 419.489 1.366 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC(NS(C)(=O)=O)CC2)cc1 1286795486 ZSMFYMFDURAONH-UHFFFAOYSA-N 405.524 1.718 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1286824411 XIONNXXJZRNEMW-YOEHRIQHSA-N 412.585 1.938 30 10 HDEE COc1ccc(SCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1289436053 ICOTZSWAERIVMT-SCLBCKFNSA-N 410.517 1.583 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)Nc2cccnc2)C1 1292514253 CDMQEQDXIQLGSV-UHFFFAOYSA-N 414.263 1.907 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2CCCCO2)CCOC1 1296663432 IFFBIZOSVWCAEP-SQGPQFPESA-N 405.499 1.618 30 10 HDEE CN(CCCC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)c1ccncc1 1297333062 AODXTOZVWADODV-HXUWFJFHSA-N 419.485 1.723 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1298927777 MYEBRWISYNRPAS-HZPDHXFCSA-N 424.461 1.703 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cc1 1300076396 FYVXRTLIMBVPDO-DLBZAZTESA-N 410.478 1.597 30 10 HDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1300233552 OYYOYAALMPFDPG-OAHLLOKOSA-N 415.475 1.908 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300734578 XVZDVERDYIGLTO-OAHLLOKOSA-N 404.540 1.535 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1300961040 YNZFGMDJGNTROK-UHFFFAOYSA-N 408.506 1.939 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1301083880 RRSKEVLGKKPKPX-NVXWUHKLSA-N 400.414 1.442 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C(C)C)C1 1301520759 OCNSCWMTAKNQMX-JZXOWHBKSA-N 423.583 1.882 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1302844717 FYASBOYLUIUVAH-HYVNUMGLSA-N 407.540 1.735 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC2CCCCC2)CCO1 1303009066 DKZINSOKYPUYEM-DLBZAZTESA-N 402.499 1.697 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)CC1 1303793272 ZHYKIZSAJQXEKU-PMACEKPBSA-N 406.486 1.792 30 10 HDEE CC[C@@]1(C)CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1305882366 MXVNKPYYEKSDQC-ZWSWSHGQSA-N 402.499 1.933 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C[C@@H](O)Cn2c(-c3ccccc3)noc2=O)C1 1307991362 YMWRTXOLOCFYTF-GCJKJVERSA-N 405.458 1.817 30 10 HDEE C[C@@]1(C#N)CN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCO1 1308114469 OSRXTVIADCFHFK-LJQANCHMSA-N 406.508 1.414 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)cc1 1309371986 PTFDICYGJQHBTH-UHFFFAOYSA-N 401.463 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)NCC3(C#N)CCOCC3)O2)C1 1313033046 AYTLKYZWIKDGRT-HNNXBMFYSA-N 408.499 1.774 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCCN2CCCO)CCO1 1316541333 WWYDIRNWUDPKEY-ROUUACIJSA-N 416.551 1.506 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3C(=O)COc4ccccc43)cc2C1=O 1318401165 HEBSLBIQZYDGRZ-UHFFFAOYSA-N 405.410 1.624 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC(C)C)C(=O)C1 1358918957 MHUULSXZRJLPID-UHFFFAOYSA-N 409.494 1.643 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1358964110 UCMWLUGECQLMLI-ROUUACIJSA-N 422.551 1.392 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC)[C@H]1CCS(=O)(=O)C1 1358966604 SEUDKVSDLVDYPA-KRWDZBQOSA-N 404.540 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1358968734 WPHMGOJTKPRSET-OAHLLOKOSA-N 410.444 1.373 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nncn1CC 1359021713 YMOKKYIMQFIWGF-UHFFFAOYSA-N 423.477 1.462 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCOC(C)C)CC1 1359038353 SZVWKASUNCOYBF-UHFFFAOYSA-N 416.551 1.450 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359048495 SHYAFIZHUWJXLX-FQEVSTJZSA-N 418.567 1.279 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359055931 SRFIVGBEDWNWND-INIZCTEOSA-N 418.567 1.481 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(O)CCN(C(C)C)CC1 1360206686 DVCYIHLFJRZGBK-LJQANCHMSA-N 421.521 1.094 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@](C)(O)C1CC1 1360693061 DRNSIVJQHARSPJ-VHSSKADRSA-N 410.544 1.179 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C 1442974003 OLKCXRGMQIGETR-IAGOWNOFSA-N 408.543 1.352 30 10 HDEE CN(C)C[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1449064248 SIWQVMYVYSBQKK-WMZOPIPTSA-N 402.495 1.431 30 10 HDEE C#C[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1ccc(Br)cc1 1450267757 CDZZBBLTJDOBAB-AWEZNQCLSA-N 400.236 1.526 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H]1[C@H]1CCCOC1 1452203163 MBJZTYYTPYQHKL-DOTOQJQBSA-N 405.520 1.923 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)NCc1cncc(C#N)c1 1456019337 MIZQKYSKVAENAO-NSHDSACASA-N 412.393 1.955 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC(c2ccc(C#N)cn2)CC1 1460503696 OTTNQCUADFUPPS-AWEZNQCLSA-N 413.503 1.807 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1463283696 VTLWRBQWAFBMDG-YWZLYKJASA-N 421.498 1.908 30 10 HDEE C[C@@H]1CCCCN1Cc1ccccc1CNC(=O)CCn1cc(C#N)c(O)nc1=O 1464154327 CSBPPTWKOXPSDS-MRXNPFEDSA-N 409.490 1.901 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C(=O)OC 1464252627 BGLHRKFCONMWGR-LBPRGKRZSA-N 415.411 1.766 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1468484660 YERPRTIIXCCCEA-SFHVURJKSA-N 419.547 1.575 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)c2)C1 1472246382 AKJHDKFCMPXKDQ-GASCZTMLSA-N 406.504 1.182 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1479069585 XJHRXOJIJBBXNQ-FQEVSTJZSA-N 421.505 1.081 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@@H](C)O1 1494236476 QTMXTQLAULCATK-HZPDHXFCSA-N 422.493 1.604 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1NC(=O)CC1(C)C 1503462280 PPIANZBGIZLIHM-IRXDYDNUSA-N 421.505 1.652 30 10 HDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504488970 CUWZAFJPOCYZNE-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1507543104 ULMVRNNLNVUZBL-INIZCTEOSA-N 417.517 1.932 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1507633382 SCXOYKKUQHRTIW-MSOLQXFVSA-N 424.567 1.963 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC 1508000333 USCPFQPLNFHWPU-KRWDZBQOSA-N 407.478 1.430 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](OC)C(C)(C)C 1513408086 GXWRGSHDJBXFFX-JKSUJKDBSA-N 406.531 1.986 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1517430047 ICJPLZXHDZYOIZ-AWEZNQCLSA-N 409.494 1.256 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCC(CO)CC1 1521423040 HOOQLRPYSVHZGZ-ZZEZOPTASA-N 423.477 1.075 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C#N)cn1CC 1525796823 XGJNNVJXXMEJGT-YXAMBPQSSA-N 410.430 1.302 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOCC1(C)C 1538965545 PPGKTHGUSVCDTD-MRXNPFEDSA-N 404.559 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1539015371 PLKVVYQJKYPTIF-ZFWWWQNUSA-N 406.483 1.834 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1539155613 YELHDPKHCMNZEJ-YJBOKZPZSA-N 415.460 1.884 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCN1CCN(C)C(C)(C)C1 1539272195 UUSDQQBOUCOAFY-UHFFFAOYSA-N 405.550 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1c(CC)nn(C)c1OC 1539291533 SBUDWPOTXAJEDQ-UHFFFAOYSA-N 411.510 1.232 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1539369581 MZBJDZRRWJWLJC-KZNAEPCWSA-N 421.567 1.446 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@H]1COCCO1 1539421859 ZNNBFABWSLFNPE-FQEVSTJZSA-N 414.506 1.975 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCCOCC)CC1 1539483131 ZPGVPCBQAIQLQU-GOSISDBHSA-N 403.527 1.565 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539709720 GIMUJOFMXXNQTL-INIZCTEOSA-N 400.508 1.716 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C)CC1 1539804091 QVZAKYWXNJKQKQ-AWEZNQCLSA-N 401.920 1.520 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)C1=O 1539965119 WTNFNXPGTKZCEE-AWEZNQCLSA-N 408.361 1.279 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1)C1CC1 1540107076 HTFZIDFWZKIQAY-AWEZNQCLSA-N 400.508 1.876 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N(C)Cc1ncnn1CC(F)F 1540865704 PEVXIHJTPNNUFU-UHFFFAOYSA-N 420.424 1.642 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1540867132 LWOBKIYCNGGPRA-SFHVURJKSA-N 410.478 1.361 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1540889821 UQCGNMFVVGVOKY-PKOBYXMFSA-N 413.526 1.718 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3cncn3C2)c1 1541080784 OSPIFCAQLFRAPV-FSXJBPCSSA-N 401.492 1.897 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1541111702 ALENPBCJEVZQEN-ZDUSSCGKSA-N 421.461 1.749 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1541815636 NTVBZKLDYORRMA-MAUKXSAKSA-N 410.478 1.774 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC(C)(C)C 1542802182 MFZGSVAPMCXYCX-OAHLLOKOSA-N 423.535 1.984 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H](C(C)C)N1CCOCC1 1543310709 FTRCPAMXDFBGPA-HXUWFJFHSA-N 424.553 1.537 30 10 HDEE Cc1nc(O)nc(S)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1544463075 QOFJICLGBTVFIF-BKUYFWCQSA-N 421.504 1.844 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C2CCCC2)CCOC1 1547918471 FOGPNYSFZZWJSR-RXVVDRJESA-N 418.542 1.533 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1554890939 WOQCCFAZSYSWPO-MRXNPFEDSA-N 420.473 1.896 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1557301025 UQVRPNLOTDSNTH-QURGRASLSA-N 407.474 1.555 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(CCC#N)CC1 1557980228 BQVUCZSTHWOTLL-KRWDZBQOSA-N 410.565 1.144 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCN(CC(F)F)C3)C2=O)cc1 1558089279 QDGOLYKECJHIIP-HOCLYGCPSA-N 419.432 1.466 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2cc(F)ccc2F)s1 1558802059 WAARKBFYGTXAHX-OAHLLOKOSA-N 416.471 1.883 30 10 HDEE CN(C)c1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc(C(F)(F)F)c1 1558806388 NTWAYAGOLGHQDO-UHFFFAOYSA-N 407.352 1.602 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H]2CCCCN(C)C2=O)cc1 1562197241 GYNABABOIOZQPI-QGZVFWFLSA-N 408.524 1.968 30 10 HDEE COC(=O)[C@H]1C[C@H](OC)CCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566872869 MLMUNKSWIFUYDH-IAGOWNOFSA-N 408.495 1.816 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H](c1ccccc1C)N(C)C)c1cc[nH]n1 1567695703 DDNLMKXPIVNUQK-YWZLYKJASA-N 415.494 1.810 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1570226986 GYILMVRNOGWXAM-QMMMGPOBSA-N 407.673 1.224 30 10 HDEE C#CCN(C(=O)[C@H](C)OCC(C)C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585648353 XKPYJTJZVRFMAC-MLYQTUFZSA-N 402.535 1.924 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)CC1 1586493920 MRIOFYPWAOJFAA-UHFFFAOYSA-N 407.536 1.507 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045507 MBNWZUYRUIGWQI-FUHWJXTLSA-N 419.551 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCOC[C@H]2C)CC1 1588930278 RLSKCVHFGBTFTD-QGZVFWFLSA-N 414.554 1.232 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC1CC1 1589206808 AAKJTYBTZSVYIH-DNVCBOLYSA-N 405.524 1.046 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CC)C1 1589568908 NBDAFGDXQOMDHC-UWVAXJGDSA-N 403.527 1.997 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1594023306 HWRVRWWLCFETLQ-QGZVFWFLSA-N 417.432 1.765 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 1594733587 VNDVUEBBZAZREI-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN2C(=O)OC[C@H]2C1 1595523557 YNBUCOCJIDAEQY-CYBMUJFWSA-N 400.414 1.027 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cc(C)on1 1595811847 CUAZIIBDSINMCT-UHFFFAOYSA-N 416.507 1.798 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1595811995 JVDWYPOTWLORCM-QGZVFWFLSA-N 404.540 1.008 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1595895025 FSNUYCCOHJISPV-OAHLLOKOSA-N 406.556 1.377 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1596486912 DDPLOVZUMBPUCZ-LJQANCHMSA-N 400.447 1.540 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2C=O)c1 1596612676 WWKJOLSIEDJITH-STIUTOJCSA-N 406.508 1.839 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)CNc2ccc(S(N)(=O)=O)cc2F)cc1 1596954047 SCGVAQQKJIMVAM-UHFFFAOYSA-N 406.439 1.440 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1598350211 IOEAJBIAADEZFE-GOEBONIOSA-N 402.447 1.825 30 10 HDEE COc1ncc(NC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)cc1C#N 1598433278 FAMZYKBPYUPVRT-IBGZPJMESA-N 416.459 1.355 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)N3CCCC3)o1)C2 1603039450 ZWPZVNLZAXASOA-UHFFFAOYSA-N 406.489 1.778 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)s1 1612518641 JGDUMAPNGXFMOY-CABCVRRESA-N 403.512 1.694 30 10 HDEE CCn1cccc(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)c1=O 1615731070 FLEMQTILEQYPCW-SFHVURJKSA-N 422.464 1.967 30 10 HDEE CCOCc1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1616836121 RDUVNBLFQAVJCK-MNGLYYNBSA-N 400.483 1.720 30 10 HDEE COc1ccc(-c2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1 1617486319 DKQPWQIKTPMFLB-UGSOOPFHSA-N 403.485 1.829 30 10 HDEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)c1 1619368632 DKKLVEDVVKTYEH-ZBFHGGJFSA-N 403.508 1.975 30 10 HDEE COCC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619796185 FPSHNMWBHDONSX-BQASMSSTSA-N 416.526 1.965 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(O)c2)CCO1 1620354398 DDRKNTYUHMBHQD-INIZCTEOSA-N 405.418 1.408 30 10 HDEE C#CCN(CC1CC1)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1621936214 DDDQWSQUWGVXSL-RBUKOAKNSA-N 406.504 1.697 30 10 HDEE C=CCC[C@@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1624304397 VMNYIKYCQNFPIF-LJQANCHMSA-N 417.506 1.955 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)Cc2ccncc2)C1 1625499420 BERJVSHNXYECNQ-QGZVFWFLSA-N 415.291 1.872 30 10 HDEE COc1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC#CCO)c1 1626173386 BPWAUPBWMWJEIC-UHFFFAOYSA-N 422.890 1.899 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)cc1 1627717173 KBSFMRWEAXTTRT-SFHVURJKSA-N 412.533 1.192 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1CCC2(CC1)CCN(C)CC2)c1cc[nH]n1 1628470187 IRECTMKMQCBBIR-UHFFFAOYSA-N 405.499 1.464 30 10 HDEE COc1ccc(CC(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882414 IMSHQLKZGZGNLL-DLBZAZTESA-N 421.519 1.409 30 10 HDEE Cn1nc(C(F)(F)F)c2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)cnc21 1632880139 GXOBCWZZVPDFJJ-VBKFSLOCSA-N 408.340 1.243 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2CO)cc1 1635712580 BDSAYRQBHCJSJI-GOSISDBHSA-N 415.471 1.447 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1 1636557151 MGRXXOZIMMQVBL-MRXNPFEDSA-N 416.459 1.889 30 10 HDEE C=CCSc1ccccc1C(=O)N1CCN(S(=O)(=O)N=S(C)(C)=O)CC1 1636568711 XBPTYCJOFFNZCY-UHFFFAOYSA-N 417.578 1.695 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)OCC)C4(COC4)C3)n[nH]2)c1C 1637461640 XXRJHUGBGOKZBX-HNNXBMFYSA-N 413.478 1.728 30 10 HDEE COC(=O)c1ccc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)c(C#N)n1 1639335433 FMMBPAZLMRABGO-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE COCCn1cc(CNC(=O)c2occc2COc2cccc(C#N)c2)c(O)nc1=O 1643401388 IEILPNDTADZZGC-UHFFFAOYSA-N 424.413 1.569 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)C[C@@H](O)CCO3)s1 1645205157 LMPNKIZFACZLIP-AWEZNQCLSA-N 414.549 1.287 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ncc(C#N)cc3F)CC2)cc1[N+](=O)[O-] 1649159355 LBYLRZFKIJCNIK-UHFFFAOYSA-N 421.410 1.520 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3nc(C)c(C)[nH]3)nnc12 1650874083 QTDIXVPHUMKYEI-UHFFFAOYSA-N 423.502 1.979 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(Br)c(F)c3)C2)C1 1653285040 ZWHNCGODQQKZCD-CYBMUJFWSA-N 409.255 1.647 30 10 HDEE COC(=O)C[C@H](C)N(OC)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1653941167 XRCADYRMXVWDLY-AWEZNQCLSA-N 423.491 1.301 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1CCO[C@@](C)(C#N)C1 1656288980 JRMPZTYKNJICPZ-SJCJKPOMSA-N 414.915 1.532 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H](C)C(=O)N(C)C 1664194650 UJTXBWPGKXYEET-CQSZACIVSA-N 401.529 1.128 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1)C1CCOCC1 1664694241 FZOMOGBGCKFHJM-INIZCTEOSA-N 413.521 1.653 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1668127085 PMGQXCHGNDPNFP-CQSZACIVSA-N 401.460 1.295 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1671150734 PQVZGEZETLDRGW-SNVBAGLBSA-N 405.274 1.106 30 10 HDEE CC1(C)C(=O)N[C@H]1C1CCN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1671576920 ROZCDJRQLUGZDW-MOPGFXCFSA-N 423.517 2.000 30 10 HDEE Cc1ccncc1CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1674253711 CDSODADNBFNGFM-UHFFFAOYSA-N 413.503 1.520 30 10 HDEE Cn1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2ccc(C#N)cc2)n1 1680014550 YXYWOHABUPOLAC-FXAWDEMLSA-N 424.486 1.039 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684616683 OTLDNBJNNUDIMO-YJBOKZPZSA-N 422.489 1.155 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1685845922 ODCNWMLFLNHFJF-CQSZACIVSA-N 417.528 1.055 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)CN1CCOCC1 1689824634 UPYVYWOMXDCKSW-DLBZAZTESA-N 411.510 1.352 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1689928432 OFRQIBQSSBRWRG-INIZCTEOSA-N 402.499 1.700 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1c1cnn(C)c1 1690099543 AUJPWLDTSQXASL-QGZVFWFLSA-N 408.510 1.762 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N(C)CCS(=O)(=O)CC 1690225527 BPRRDLZUXMMNEK-UHFFFAOYSA-N 415.317 1.515 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1690506332 KJOLSCWSDRBKTN-UHFFFAOYSA-N 402.503 1.123 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCC[C@H](C(N)=O)C1 1690673830 GLHKAZSHTXSKGM-HNNXBMFYSA-N 421.505 1.354 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)C1 1690696468 CHRLYDSPBFCQHM-SJORKVTESA-N 416.526 1.413 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690748646 BLEWVKHBMDOTIZ-MRXNPFEDSA-N 402.524 1.134 30 10 HDEE Cc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c(=O)n1C 1693097442 SOTSPBPDQKYLRT-UZLBHIALSA-N 400.458 1.670 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCO1 1697888380 FAHDIXCGTKNKGT-FYINFDKHSA-N 413.478 1.208 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1705535163 CLGLDGHAFKAOBC-LJQANCHMSA-N 421.505 1.444 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)(F)F)CC1 1705780782 ZNDQOJLWQAXRQC-LBPRGKRZSA-N 400.405 1.310 30 10 HDEE CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(c2ccccc2C#N)CC1 1710829883 LWVWGNSIVUPLOY-SFHVURJKSA-N 423.521 1.854 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1711052448 WTICTVWCMUQGQM-UHFFFAOYSA-N 414.510 1.567 30 10 HDEE C#CCN(C)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCNS(C)(=O)=O 1722346913 UPHGSKZLGFZWRK-ZDUSSCGKSA-N 407.565 1.750 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCN(CC)CC1 1722349556 RSWVVOAWQYQENW-GOSISDBHSA-N 424.549 1.812 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1722359289 RKHPMAYFWGUHFN-INIZCTEOSA-N 419.551 1.331 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1 1722396523 AETWMRJVODFGJL-LJQANCHMSA-N 405.502 1.968 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1722397548 RRBWTVPTBXPBLG-IBGZPJMESA-N 421.501 1.771 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1722398357 WQLHCHOUJWWBLZ-SFHVURJKSA-N 420.473 1.919 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(SC)CCOCC2)CC1 1722438103 ZDNNOHSAOSYZCI-GOSISDBHSA-N 419.595 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC(=O)NCCC)CC1 1722449185 HSJNLNPVDPYYOE-UHFFFAOYSA-N 400.527 1.113 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1722455716 VAXQKGWRNKAHBQ-KRWDZBQOSA-N 420.560 1.943 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722537556 CGXCIEYIJDICKJ-YLJYHZDGSA-N 405.499 1.640 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722622002 FDNXZWDHFJHVFP-UHFFFAOYSA-N 404.559 1.915 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCn2ccnc2C)C1 1722715490 SQYXOJIUELZKQT-ROUUACIJSA-N 413.526 1.996 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)Cc1cc(C)on1 1722725602 ORVJYNQDTUFYSN-UHFFFAOYSA-N 402.480 1.874 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(F)(F)CC1 1722730360 PPEHUEQIELIYRB-UHFFFAOYSA-N 417.482 1.237 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722737095 SQRRGLDKUATNHR-AWEZNQCLSA-N 415.523 1.512 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1722741901 AFWTVTDIYCGULL-KRWDZBQOSA-N 413.551 1.739 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N(C)C 1722874014 GFDDLFDAQZUGFS-UONOGXRCSA-N 418.523 1.163 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCSCCCO 1729034406 VKQAFDDUFQHMMG-UHFFFAOYSA-N 418.523 1.465 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCOC1 1729527138 ZOTGDIASOSXVSI-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](OCC)C2CC2)CC1 1739625781 ADWPYDDVCKWJGV-BCRJPVCJSA-N 400.519 1.678 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(N2CCOCC2)CC1 1740614260 KXXNZXXPZSHMNS-UHFFFAOYSA-N 411.506 1.800 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740626154 JWJPICJPMGVCNC-FUHIMQAGSA-N 424.567 1.350 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1740680751 NANCRAFESKFKAJ-UHFFFAOYSA-N 417.897 1.543 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(C)COC2)CC1 1740703664 ALCFAWKTSMCZIO-UHFFFAOYSA-N 423.517 1.956 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740817060 TXKNQWNVKDNEQC-CHWSQXEVSA-N 406.878 1.414 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cn(C2COC2)nn1 1740891505 CMUCVIUQVYHOJP-LJQANCHMSA-N 403.487 1.152 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1740959234 OIFYELCUZKNKFC-ZDUSSCGKSA-N 406.450 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@H]1CCCO1 1740994234 LCCVJYYNCFEKSL-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE CC(C)N(C)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1741608851 DGSMLMIPRYSZFA-VQIMIIECSA-N 412.494 1.860 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)C[C@H](C)C#N)CC1 1746468137 IVLYSGYMIDYHOQ-RTBURBONSA-N 403.575 1.796 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1746511638 VLQROGXEFNPCKY-ZWKOTPCHSA-N 411.485 1.605 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748765779 UELDIZQVKMTDGU-QGZVFWFLSA-N 423.521 1.252 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccnc1C 1748916940 KJBAMVSKWZATSE-UHFFFAOYSA-N 414.477 1.721 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749126455 CKNQBYYHDARDPC-AZUAARDMSA-N 416.570 1.737 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749190013 ZNVPGQRYSZEIGC-QGZVFWFLSA-N 416.526 1.367 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1749208724 AXAFASWWMITJQR-WIYYLYMNSA-N 416.526 1.917 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749401701 CLFCICYZPJNOLK-IRXDYDNUSA-N 421.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 1749652024 GEEQIMJQUSNQSN-UHFFFAOYSA-N 417.901 1.792 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1749677300 VHCAJZGZTGOQLV-QFIPXVFZSA-N 408.506 1.082 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cccc(F)c2)CC1 1749734729 LRWCMLWDPUHNAV-UHFFFAOYSA-N 421.542 1.903 30 10 HDEE C=CCCCC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1758793323 IYAJDSKFAUENQD-SGTQZHETSA-N 403.523 1.237 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1760098530 TXTOCADMKCBFHS-HOTGVXAUSA-N 410.588 1.611 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2nnnn2CC2CC2)c1 1760128436 HXRPHMAGFYYHHD-UHFFFAOYSA-N 419.493 1.342 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760181420 VGIFUUZHOUMOSF-WMLDXEAASA-N 406.483 1.820 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(O)CCO[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760187588 KHOQUOIHVAZTGG-OXFYSEKESA-N 422.551 1.102 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CC1 1760258121 GZHJHZJGFIKNIR-UHFFFAOYSA-N 417.517 1.618 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760321619 IOUSYJMQKOBGEY-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC)[C@@H](C)C1 1760555889 PYOFVODDVMVJCC-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](COC)C1 1760556296 ZBWOSBMTLRORLE-DLBZAZTESA-N 412.556 1.636 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCOCC1 1760687785 TUNYZZFSWPWJJZ-KRWDZBQOSA-N 403.531 1.222 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(=O)(=O)CC)CCO1 1763513169 IBSAJSNCMLLOQO-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CCC[C@@H]1CN(c2nnc(COCC)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763983353 UQFHAFLAIZBKOW-AMGRQBIBSA-N 418.498 1.346 30 10 HDEE CCNC(=O)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CCC1 1767187519 GCYRQSRTYRJYAY-HNNXBMFYSA-N 424.509 1.970 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1767871573 RAOBDMXUDIJOIU-VGSWGCGISA-N 422.489 1.684 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1771531824 FEQMPGNQTGTOFO-GJZGRUSLSA-N 402.405 1.553 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCOCC2)CC1 1772555206 XUKYTHFJSVETJI-OAQYLSRUSA-N 406.527 1.874 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)[C@@H](F)C1 1772887252 FAPOVWIXLKEIKO-PBHICJAKSA-N 420.514 1.940 30 10 HDEE N#Cc1ccc(OCCO[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848606783 GUNSPOGTVCZRMK-LEWJYISDSA-N 405.454 1.966 30 10 HDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCN(C)C1=O 1848761410 SDUAUZMZKGOXHK-XHDPSFHLSA-N 417.890 1.391 30 10 HDEE C[C@H]1CCCN(C(=O)CO[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1852146334 DAPAVPFLMQFZQT-RXVVDRJESA-N 401.507 1.913 30 10 HDEE COC(=O)[C@H](Cc1ccc(Cl)cn1)NC(=O)Cc1cc2c(cc1C#N)OCO2 1852901557 QEIQVIAYCGNCLG-HNNXBMFYSA-N 401.806 1.778 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1853689537 LENPSZBOFFJPGC-QGZVFWFLSA-N 411.568 1.750 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1853748989 UZFSKFCHHSXGNT-KRWDZBQOSA-N 423.922 1.867 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853955527 YOGGSHQQRRGJQW-RHSMWYFYSA-N 404.492 1.482 30 10 HDEE CCOc1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)nn1 1855178326 YMQAIJYUWOSEFV-CQSZACIVSA-N 407.430 1.303 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807076 NMSIWDYXRGGIIH-STQMWFEESA-N 411.430 1.742 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)c3cncc(Cl)c3)C2=O)CC1 1856174743 DNIKPRPDFMEOQW-SFHVURJKSA-N 424.892 1.955 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2=O)CC1 1856320117 KHOADRCFLIMHFW-KRWDZBQOSA-N 424.892 1.955 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CSc2ccncc2)C1)[C@H]1CCN(C)C1=O 1857055421 DZPJFYSCGNCUNK-WMZOPIPTSA-N 416.547 1.658 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)Cc3cccnc3Cl)C2=O)C1 1857103432 HCRWEBGFTCAOAB-MRXNPFEDSA-N 411.849 1.435 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3ncccc3c2)C1)[C@H]1CCN(C)C1=O 1857264186 MHVCMXRGWLGVJE-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CCC[C@@H]2CO)=C(N)Oc2c1c(C)nn2C 1865227102 AWXWELWCOOQVHD-BEFAXECRSA-N 424.501 1.971 30 10 HDEE C=CCn1cc(OCC(=O)N(C)Cc2ccccc2)c(=O)cc1CN1CCOCC1 1870508105 LJUGXJBAHUJHKW-UHFFFAOYSA-N 411.502 1.904 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985095467 DWDZJDTYGANKHX-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2010401531 FAFKKRGYMRZUJQ-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE C=C(CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)B1OC(C)(C)C(C)(C)O1 2020863518 KRHDPTOVRZSSTN-UHFFFAOYSA-N 423.319 1.370 30 10 HDEE C[C@@H](NS(=O)(=O)CS(C)(=O)=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2130083869 YDGQWUQWFZULBF-SNVBAGLBSA-N 409.360 1.030 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217485121 AYJGSCHWYXYPLN-AWEZNQCLSA-N 419.287 1.800 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N(Cc2ccccc2)CC2(O)CNC2)C1 2243271730 RTKLZBVZOQVFIA-UHFFFAOYSA-N 413.518 1.656 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243394824 NJXYHKATGXIQQH-IBGZPJMESA-N 408.260 1.202 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243684562 BYUBADAEMYWSRX-FQEVSTJZSA-N 410.320 1.910 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684962 KFMJLAXHZOGPFU-NSHDSACASA-N 424.332 1.597 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CCOC1 2244545930 DRPAPVYRRIUENC-HXUWFJFHSA-N 408.304 1.811 30 10 HDEE CCN(CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247781388 KQCSFTWNYZAZAH-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)OC1(C)C 2256063439 OVROJBKWCBBKPG-PIIMJCKOSA-N 420.322 1.636 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2258180843 GCAFUQRMOSLBDI-CQSZACIVSA-N 404.404 1.075 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267360361 UANXBUSHOYBFGZ-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267725718 CVTRMTRYAXEPID-JNDILOIQSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCS(=O)(=O)CCO3)c2Cl)OC1(C)C 2281931309 DAOZFQRESOCSMH-UHFFFAOYSA-N 421.733 1.503 30 10 HDEE CCCNC(=O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282309453 FSQYWMDKXLZVRI-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@]1(C)CCO 2282312378 VYIVLAAKYHJQGK-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE CN(C)CC1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCC1 2282332697 FQAYXIUEDYUEHW-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CNC[C@H]1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332893 HTSFSAYZXIHWGL-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CCC[C@H]3O)c2)OC1(C)C 2282420221 WCKJVMTXVATAHZ-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC(C)[C@H](N)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492259 QHQNPSLQZTYMIH-CQSZACIVSA-N 402.753 1.901 30 10 HDEE C[C@@H]1CNC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499642 QYIFIUWKTOGURN-GXTWGEPZSA-N 400.375 1.465 30 10 HDEE CC[C@@H](C)N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503762 FPENSOFIVGGLQJ-CYBMUJFWSA-N 403.375 1.970 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@H]2CO)OC1(C)C 2282506299 QHNHVAFVWXEZTQ-FZMZJTMJSA-N 401.721 1.688 30 10 HDEE CCC1(O)CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282509979 SFGVWQBRCCNWNK-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N=c3cncc(F)[nH]3)cc2Cl)OC1(C)C 2282835603 XESYMAQVCFTMHE-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H](CO)C2)OC1(C)C 2282862878 JTLCQQXTUHFSRI-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE COC(=O)[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877658 VEMFAZISFMOBIF-LLVKDONJSA-N 401.315 1.231 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@@H]2C(=O)O)OC1(C)C 2284393927 RGWGWQKRJOKYKD-GFCCVEGCSA-N 401.315 1.675 30 10 HDEE CCN(CC(=O)O)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2284414908 USQLIGSLEYNOOM-UHFFFAOYSA-N 403.331 1.759 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCS(=O)(=O)C1CC1 2290133714 CIBUVILJOTVSRU-UHFFFAOYSA-N 400.331 1.058 30 10 HDEE CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCN(C)CC2)SC1=S 2314435780 MYDYNJBBSVPMBV-UHFFFAOYSA-N 417.560 1.538 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2N=Cc2cccnc2)cc1OC 2326736254 BBZRADHWHBHZJZ-UHFFFAOYSA-N 412.475 1.741 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CN(C(=O)OCc2ccccc2)C1 2339660333 APROLMHYENBINR-GOSISDBHSA-N 422.547 1.565 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@]2(C)CNCC2(F)F)OC1(C)C 2361656545 IIEOBDTXNVIWQF-AWEZNQCLSA-N 408.301 1.323 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2365206866 JUNFQRGANHXPBT-LPMFXHHGSA-N 402.557 1.455 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)O[C@@H]2C1 2365208488 SGSLCKYBXUSUDA-ZJIFWQFVSA-N 400.541 1.555 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367787884 MHLVOMWVLBDFCK-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE Cc1scc(C(=O)N[C@H](C)CCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369537318 AZXLAFZOVXKBFD-LLVKDONJSA-N 401.359 1.909 30 10 HDEE C#CCOC[C@@H](O)CN(CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36157101 DPBPHJFWNDDLIL-HNNXBMFYSA-N 419.547 1.713 30 10 HDEE N#CCCn1ccc(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 438316731 PQNMBIMRGXHQDL-UHFFFAOYSA-N 416.869 2.205 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 460580533 WXCAKRKYBSCSSX-WBVHZDCISA-N 410.482 1.319 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)NC(C)=O)cc1 465188405 UCUNLESXEIHMIN-HNAYVOBHSA-N 422.489 1.661 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 468925391 KNOCFYLPYCYDHR-HNNXBMFYSA-N 404.898 1.814 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cnn(-c2ccccc2)c1 480473578 XPYWCPNVNGMTPB-OAHLLOKOSA-N 409.471 1.727 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@@H](CC)CO)CC2)cc1 485015467 HNKFPHVNTBAJLG-KRWDZBQOSA-N 410.540 1.414 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N[C@H](C#N)c2ccc(Br)cc2)CC1 499442344 IPGHPSIFMSBCQG-CQSZACIVSA-N 400.298 1.802 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)Cc1cc(C#N)ccc1F 500818272 PAUSMIFEVYNNKN-LLVKDONJSA-N 409.464 1.626 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3COc4ccccc4O3)C2=O)cc1 504552971 FGPBVDSQWRLTER-IRXDYDNUSA-N 420.425 1.719 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506003968 XSURPBIBBBXOGC-IBGZPJMESA-N 421.505 1.945 30 10 HDEE COc1ccc(NC(=O)N2CCC(C)(C#N)CC2)cc1S(=O)(=O)N1CCOCC1 506292278 LQBOJPLRPKXMQG-UHFFFAOYSA-N 422.507 1.874 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 509423248 FUQVHZAKYVANJW-LBPRGKRZSA-N 402.318 1.445 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2nnc3c(cnn3-c3ccccc3)c2=O)c1 513786480 HSVABRYSUMCEAV-UHFFFAOYSA-N 406.427 1.323 30 10 HDEE COC(=O)[C@H](c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533238278 GIGOGRMYLVAJLQ-IBGZPJMESA-N 417.462 1.918 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 534987424 QFMPHEJQPUYWLB-KRWDZBQOSA-N 418.538 1.512 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@H](C)n1cnc(C#N)n1 540606545 PRCNLGOXBRERIE-AWEZNQCLSA-N 416.507 1.721 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 544158482 AMBNVVAIWMFGAC-UHFFFAOYSA-N 408.458 1.871 30 10 HDEE COc1ccccc1C(=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 544816020 QHTAMANHYCGUJI-UHFFFAOYSA-N 413.455 1.283 30 10 HDEE COc1ccccc1C(=O)N1[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@@H]2CCCC[C@H]21 561269337 CQQCLEQTKGSONB-JQHSSLGASA-N 422.489 1.748 30 10 HDEE Cc1cc(C)n(-c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)n1 585715357 NXIIYENWLUYTDH-UHFFFAOYSA-N 406.421 1.828 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)CC1 588750938 IXJKNNBAROXTJD-UHFFFAOYSA-N 405.568 1.110 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCN(c3cccnn3)CC2)c1 606906955 FDQXAUBDUFSTHY-UHFFFAOYSA-N 401.492 1.293 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C#N)c2ccc(F)cc2)cc1 609602442 XAZYISJMANGFTH-SFHVURJKSA-N 418.450 1.786 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CCN2C1=O 610626777 FQCUSRWVPXVIKI-QGZVFWFLSA-N 411.462 1.208 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](C[C@@H]1CCN(S(C)(=O)=O)C1)NCCC 691252379 AXMTXLYFHOOFRT-ULQDDVLXSA-N 401.573 1.943 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1 727951136 QRZCAQPYJJCWPL-CYBMUJFWSA-N 419.381 1.668 30 10 HDEE C#CCN(C[C@H](O)COc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 731213499 DRFQEIBUWKNJAJ-GJZGRUSLSA-N 402.310 1.311 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3cccnc23)c1C)[C@H]1CCS(=O)(=O)C1 731473170 RLELEONAVPSZGL-INIZCTEOSA-N 409.471 1.386 30 10 HDEE Cc1cc([C@@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 732495522 XSHQUMXMLGPXDY-XLIONFOSSA-N 403.442 1.745 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1 734276094 GWTIUEBREMZBMJ-UHFFFAOYSA-N 409.531 1.015 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3)c2=O)cn1 735069101 LQRKZGXOGXOYBY-UHFFFAOYSA-N 421.526 1.533 30 10 HDEE Cc1nnnn1[C@H](Cc1ccccc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 735764826 FZJVGWVTJQTCNK-GOSISDBHSA-N 410.459 1.283 30 10 HDEE C#CCCN1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 744366623 VUOPPDMCUXCFEU-UHFFFAOYSA-N 407.536 1.263 30 10 HDEE CNC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1Cl 747498812 UGZXFRKFQRYGMK-UHFFFAOYSA-N 400.822 1.835 30 10 HDEE CCOc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)cc1 748067139 ZITDMEKFHDPWRE-UHFFFAOYSA-N 412.511 1.827 30 10 HDEE C[C@H](/N=C1\S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1)c1cccs1 751687400 MTWGXCJSVGSBMC-KTEMXZEJSA-N 424.592 1.966 30 10 HDEE C[C@H](CC(=O)NCc1nnc(C2CCC2)n1C)/N=C1/NS(=O)(=O)c2ccccc21 764359557 VOOGITHGEVDOPV-GFCCVEGCSA-N 416.507 1.216 30 10 HDEE C=CCSc1ccccc1NC(=O)COC(=O)c1ccc(S(N)(=O)=O)cn1 769841084 YIRAVHUSNWEYSA-UHFFFAOYSA-N 407.473 1.803 30 10 HDEE CC(C)N(C[C@H](O)COc1ccccc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 770566197 BRUHHEBGBJBDDX-JVMRMLDLSA-N 416.478 1.373 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccccc1OC)c1nccn1C)[C@@H]1CCS(=O)(=O)C1 774152235 GWDVGDFEMWUMKX-CRAIPNDOSA-N 416.503 1.350 30 10 HDEE C#CCN(C(=O)N[C@H](Cc1nccn1C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774236766 YQMPCHPPBZGUPB-QZTJIDSGSA-N 400.504 1.536 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccccc3OCC)cc2C1=O 775306606 WVYRECIFJZDOLJ-UHFFFAOYSA-N 414.439 1.986 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 775988341 MZRGKCHWKVMJDU-FWLDDUTDSA-N 421.523 1.617 30 10 HDEE C#CCN(C(=O)c1nnn(Cc2ccc(F)cc2F)c1C)[C@H]1CCS(=O)(=O)C1 790479364 GATJOAMOBKDHAR-HNNXBMFYSA-N 408.430 1.176 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790639945 PCMYRSHYSJKIQA-DNVCBOLYSA-N 415.556 1.872 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790659909 ZDTVYEVHBNYURO-KSSFIOAISA-N 401.529 1.612 30 10 HDEE Cn1nnc2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Br)c3)cc21 790832051 AROUOLXHMKLTAN-UHFFFAOYSA-N 420.248 1.721 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 795373038 GAVBCAWUCHTCEO-AZUAARDMSA-N 410.522 1.987 30 10 HDEE COC(=O)C1=C(COC(=O)c2ccnc(C#N)c2)N(C)C(=O)N[C@H]1c1ccccc1 795970659 RKYUIQXWKXKXFK-SFHVURJKSA-N 406.398 1.933 30 10 HDEE C#CCN(c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-])C1CCCC1 799963445 LPYQQGDFWQTTQS-UHFFFAOYSA-N 406.508 1.913 30 10 HDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 807933965 HHILGXCFKILTDS-INIZCTEOSA-N 409.475 1.487 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 812202851 JKVCIUDGSMLTLH-QGZVFWFLSA-N 417.535 1.702 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2snnc2C)C1=O 813564119 UYRJHYKPJWGTHO-ZDUSSCGKSA-N 400.489 1.986 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 815199758 FSVVCSVCJIWKEW-UXHICEINSA-N 418.582 1.875 30 10 HDEE CN(C)c1cc(Br)cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 815555777 HXKIFHBGIGSMCQ-ICFOKQHNSA-N 407.268 1.771 30 10 HDEE CCn1ncc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)n1 816088044 VZEILDYGWBAWEX-UHFFFAOYSA-N 402.205 1.190 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccccc3C#N)c2=O)cn1 917799376 NTVYXPLKEYRXTR-UHFFFAOYSA-N 417.494 1.622 30 10 HDEE C#CCN(C(=O)c1ccc(-c2ccccc2OC)nc1O)[C@@H]1CCS(=O)(=O)C1 1125883270 JMCBDTBJJXHVPX-CQSZACIVSA-N 400.456 1.725 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1134276088 RGRSAUDRIKVNAS-HZMBPMFUSA-N 414.237 1.368 30 10 HDEE CN(CCCc1cc(-c2ccccc2)n[nH]1)C(=O)CCn1cc(C#N)c(O)nc1=O 1136293795 BTDVUTGPUFXLBV-UHFFFAOYSA-N 406.446 1.692 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 1141766507 UEQDZYXMJVLQOQ-UHFFFAOYSA-N 403.483 1.640 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1B1OC(C)(C)C(C)(C)O1 1142770506 AFOWCLLVUSYMDF-QZTJIDSGSA-N 400.328 1.887 30 10 HDEE C#CCN1CCCN(C(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)CC1 1147283173 CUVIAQQYEGOXOL-KRWDZBQOSA-N 400.548 1.966 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CSc1ccc(S(N)(=O)=O)cc1 1154130577 AGTUWAPQZHMAEX-UHFFFAOYSA-N 421.500 1.962 30 10 HDEE C=CCCC[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1)c1ccccc1 1160656339 IQDQGTAOZNBOGR-XUVXKRRUSA-N 406.548 1.429 30 10 HDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)nn1 1162480497 LYDXENSNBWVTHY-UHFFFAOYSA-N 418.306 1.756 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)C(=O)/C=C/c1ccc(F)cc1 1167023659 CRWNVXKRJFFVEP-JLXBBBJOSA-N 422.453 1.523 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C2CCOCC2)C1 1178651237 QALBWJGWFLHGQC-CRAIPNDOSA-N 405.520 1.890 30 10 HDEE CC(C)(C)N1CCC[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1184283514 MQPBZHOHLQUIET-MRXNPFEDSA-N 401.463 1.928 30 10 HDEE COC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCOCC1 1248374477 ARXIOCKHFQEYOA-RTBURBONSA-N 400.479 1.400 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3ccc(-c4nncnn4)cc3)C2)nc1 1252562245 LLAGZGNVUYQISG-GOSISDBHSA-N 415.461 1.986 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1)C1CCOCC1 1253348960 VVPDNEIJEMZWEN-RTBURBONSA-N 420.554 1.751 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286336366 JQQXQEJJWVBZPV-GOSISDBHSA-N 400.527 1.509 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1286386946 KHIAYMYAUVMKSC-AWEZNQCLSA-N 410.459 1.413 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393678 MEXBNPOVRWTAFX-XMTFNYHQSA-N 422.551 1.081 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccnc1N1CCOCC1 1286406878 KPHKKTHROFPEMY-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CC1(S(C)(=O)=O)CCC1 1286428643 DVSPUBFSDHOOIQ-KRWDZBQOSA-N 404.536 1.602 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCC(=O)NC2CC2)CC1 1286653630 ZVCJHCSVZBCSFO-UHFFFAOYSA-N 400.527 1.975 30 10 HDEE C=CCCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286693474 QTGRSBOWEUTKGH-QGZVFWFLSA-N 411.572 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1286715217 XCLLFFPXZOXUGM-CQSZACIVSA-N 412.560 1.350 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cscn1 1286818230 DURAWMIUTFOUQO-UHFFFAOYSA-N 405.509 1.429 30 10 HDEE O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)NCCN/C(O)=C1/N=CC=CC1=O 1293031611 DLDLUZMEZUXVJH-NXVVXOECSA-N 410.352 1.373 30 10 HDEE CCOCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1293098960 CUYKALMSDPBTEH-DKTYTTGXSA-N 420.554 1.954 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@@](=O)C(C)(C)C 1293110708 CMYVGHGZCFIOKP-GDLZYMKVSA-N 415.567 1.981 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1298608362 SJBUAIWMISEHNH-UHFFFAOYSA-N 402.409 1.997 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCOC2)CC1=O 1298886550 BCQNOXJXIXHKAJ-SFHVURJKSA-N 424.505 1.538 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)[C@H]2CCCOC2)C1 1299352676 XFTMUYCPTGIVBW-LRDDRELGSA-N 408.296 1.661 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299472632 JLYRVWJOKMJBLK-UOICAXPBSA-N 422.529 1.400 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 1300393027 RLCQKNDVVXMAQA-RBUKOAKNSA-N 409.421 1.309 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)N2CCCC2)CC1 1300421387 DQQBTXKRZDMEPP-UHFFFAOYSA-N 424.553 1.891 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)[C@@H](C)CC 1300665181 YISUQJKZTMUXGD-YCRPNKLZSA-N 417.510 1.889 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1300665763 PZRHBJRQRYQHTI-LJQANCHMSA-N 412.538 1.783 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccoc2)n1 1300680443 BPWZGEDCTMLEJE-GOSISDBHSA-N 410.478 1.906 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1300706424 LTGVHJDVJAKEEC-NQIIRXRSSA-N 414.554 1.217 30 10 HDEE COC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1)OC 1301014952 WJWQNOCVOXZHKE-AWEZNQCLSA-N 402.455 1.407 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1301486259 FZLGPWLKNQTNJU-HNNXBMFYSA-N 420.535 1.269 30 10 HDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1301569990 LXMWAEAEQLNNEN-SFHVURJKSA-N 423.521 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C)C2(CCC2)C1 1301586168 QORJQICZLDZSFG-HOTGVXAUSA-N 421.567 1.847 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1301967103 AQUZXPNHEGEYRB-GJZGRUSLSA-N 413.544 1.565 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1303558955 PRGBVXHJZCWCDD-MRXNPFEDSA-N 406.504 1.226 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 1303723376 ROVFTWPVJXWSKA-MRXNPFEDSA-N 410.453 1.677 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCNc3ccccn3)CC2)c1C#N 1304731067 LEDVGQHAXNLRSV-UHFFFAOYSA-N 420.525 1.724 30 10 HDEE C=CCCCS(=O)(=O)N1C[C@@H](C(=O)OC)C2(CN(C(=O)OC(C)(C)C)C2)C1 1309891585 AKJWZWGOFACSAD-AWEZNQCLSA-N 402.513 1.624 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cn(CC)c(=O)nc2O)cc1 1310131270 LNTVPTYSFUETOM-UHFFFAOYSA-N 421.479 1.097 30 10 HDEE C=CCCCN(CC)C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1310436627 GYGIWRZIWXGMOE-UHFFFAOYSA-N 401.467 2.000 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1313385562 TZXAZAPBPNWYDH-MRXNPFEDSA-N 409.450 1.303 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CC1 1313922469 WSJVYOQVXIJBLQ-SFHVURJKSA-N 423.569 1.206 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2C[C@@H](O)C3(CC3)C2)c(C(=O)OCC)c1C 1325881841 SWVQGTFMQPCALD-CYBMUJFWSA-N 422.503 1.971 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1340263456 CZTXOEJQIMOWIW-KRWDZBQOSA-N 412.519 1.711 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1358885943 UOZXVLKQSJOVKJ-MRXNPFEDSA-N 423.521 1.228 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1358910884 DNHWGOGHAHYKGK-IRXDYDNUSA-N 400.527 1.774 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)CC1 1358929473 ARLHVSGDGZWHHN-CQSZACIVSA-N 417.482 1.260 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1C1OCCO1)[C@H]1CCS(=O)(=O)C1 1358957760 ZUFMLABJAJVWDK-KRWDZBQOSA-N 416.503 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCN(C(C)=O)C1 1358986566 ZMDWKPOITHJTHY-AZUAARDMSA-N 415.538 1.724 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)CC1 1359053803 YUJVBTWTDXIAMG-UHFFFAOYSA-N 410.547 1.952 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1359056417 FDNHMZQMDLJKJO-INIZCTEOSA-N 407.540 1.181 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)CC 1359067260 GXADAPHKEIJUCP-GOSISDBHSA-N 422.942 1.925 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359133520 UENCBSZJERNREX-RBUKOAKNSA-N 407.559 1.922 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)CC1 1359165439 OXDSDSCAPRIDNW-INIZCTEOSA-N 407.496 1.409 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1359201193 GCDIIJURJUCRKG-IBGZPJMESA-N 424.553 1.834 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359207019 WMEYMHCLQSAOCT-OXQOHEQNSA-N 405.499 1.927 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCC(C(N)=O)CC1 1359304900 NAQUZJZBTYKAOK-UHFFFAOYSA-N 412.494 1.169 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)CC1 1359309418 QZEROFYELACRIU-UHFFFAOYSA-N 424.505 1.454 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCCNC(C)=O)C1 1359322925 DZGZPNHYBVCQQH-QGZVFWFLSA-N 404.540 1.941 30 10 HDEE CN(C)c1ccc(-c2cncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)cc1 1439608870 AOIZYGLDNHVCIO-RXVVDRJESA-N 410.499 1.825 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)Cc1ccccc1OC)c1cc[nH]n1 1443597854 BWMJQDAUMJELKB-UHFFFAOYSA-N 402.451 1.840 30 10 HDEE Cn1nccc1[C@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1449708583 WHOXSIVDJMCYSQ-SJKOYZFVSA-N 406.439 1.507 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)C1CCOCC1 1449880932 IFGORNRFSPUAPM-AWEZNQCLSA-N 424.947 1.732 30 10 HDEE N#C[C@]12CN(C(=O)CNC(=O)c3ccc(Cl)c(Cl)c3)C[C@H]1CS(=O)(=O)C2 1456619959 VUMLVGBUHRRMHS-MEDUHNTESA-N 416.286 1.120 30 10 HDEE Cn1c(=O)[nH]c(N2CCN(c3ccc([N+](=O)[O-])cc3C(F)(F)F)CC2)c(C#N)c1=O 1458162190 BOMNMKYTYRTUSS-UHFFFAOYSA-N 424.339 1.199 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(Br)cc2-n2cncn2)CC1 1460022011 FIISYPUYTJWTJH-UHFFFAOYSA-N 418.251 1.949 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@H]3CCNC(=O)[C@@H]32)CC1 1460697500 ZKVROHYMMXLUEJ-FBBABVLZSA-N 413.497 1.135 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC(c3nccn3C)c3nccn3C)cc2C1=O 1461657119 VEPQLKYYRRGFOD-UHFFFAOYSA-N 404.430 1.455 30 10 HDEE N#Cc1cc(NC(=O)CN2CCCC3(CC3)S2(=O)=O)ccc1N1CCC(O)CC1 1466018363 XRBFRASNPPHQFS-UHFFFAOYSA-N 418.519 1.416 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(C#N)s3)C2)cc1 1470097171 UGNSTGZPVPEDQX-UHFFFAOYSA-N 406.489 1.501 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C(=O)OC 1471123682 GULMSSKYUCXICF-WBVHZDCISA-N 410.492 1.382 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cnn(CC2CCC2)c1 1472631630 BPLQKTMMNLGASI-CQSZACIVSA-N 401.492 1.711 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)c3nc4ncccc4cc3C#N)CC2)CC1 1472687464 BTOLLXAGZPTEGS-UHFFFAOYSA-N 407.522 1.176 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@H]1C[C@@H](C(=O)OC)C1 1475677718 RSTPHFNWVIOFAD-FZNQNYSPSA-N 414.524 1.603 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCCOc1ccc(I)cc1 1478512997 KALCSWRFCNBANS-ZDUSSCGKSA-N 400.216 1.714 30 10 HDEE C#CCN(C(=O)N[C@H](C#C)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1478896530 OSDJFFVMGDNOSB-JKSUJKDBSA-N 409.305 1.955 30 10 HDEE CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1499660817 PYDPWCKTOURBDT-OLZOCXBDSA-N 408.484 1.016 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CC1 1503824454 IHOKMZHJMOCWHT-UHFFFAOYSA-N 423.452 1.982 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1504526027 DKSFPPORZCJMNL-CKEIUWERSA-N 416.482 1.796 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(OC)CCOC1 1507609912 AIJVSLSDXPANER-JOCHJYFZSA-N 422.489 1.550 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(CN(C)CC)c1)[C@@H]1CCS(=O)(=O)C1 1507626610 OFSLEPLODCEUQF-HXUWFJFHSA-N 415.563 1.713 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC(C)(C)C1 1507656384 HAAWJAKCEOTNII-UHFFFAOYSA-N 409.538 1.323 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H](C(C)C)N1CCOCC1 1507669176 IVXJDEABDOOCIW-LEWJYISDSA-N 413.566 1.992 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCN(C)C1 1507705990 ZUFJGXKQHYJLTL-LJQANCHMSA-N 404.902 1.146 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCC 1507764896 PDJGNASHJSGTRB-ABSDTBQOSA-N 422.599 1.755 30 10 HDEE C#CCNC(=O)CC(=O)NCCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1515391105 LCTDVQWFXGHKEX-UEURJDKPSA-N 415.534 1.073 30 10 HDEE COc1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1S(=O)(=O)NC(C)(C)C 1530306663 QRJSFVUHEROFIM-UHFFFAOYSA-N 405.480 1.938 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)NC2(CCCC2)C1=O 1532371822 FXZUOEDALDASKB-CYBMUJFWSA-N 401.492 1.521 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1538887904 SWOAFIUVZJIKAJ-UHFFFAOYSA-N 421.471 1.486 30 10 HDEE CC(C)(C)OC(=O)[C@H]1COCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1538934343 XWHQEMUFMRFLEH-QGZVFWFLSA-N 422.503 1.947 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC 1538975361 ZUWZJVXULZCDBI-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1sc(C)nc1C)[C@H]1CCS(=O)(=O)C1 1539215458 CRIDVIAHVVKIJX-HNNXBMFYSA-N 405.549 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1539241433 DAJRBJFKZGSFIO-UHFFFAOYSA-N 411.267 1.352 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1539266178 MYRPGRMZSIBMNV-GOSISDBHSA-N 411.531 1.389 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(-n2cncn2)c1 1539271682 HAHBWONWYJZWOT-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1NC(=O)CC1(C)C 1539569673 HITKBIAZMTUDKO-QCMGHPBJSA-N 415.538 1.909 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C)C(=O)[C@H]1C 1539638274 YUKQMIFFDCZKCI-HLIPFELVSA-N 410.522 1.912 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O 1539644236 GDEVJBUTNPBWFX-BZUAXINKSA-N 413.544 1.096 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CC(=O)Nc1ccccc1CC)c1cc[nH]n1 1540653123 CRPGABFISWGEBB-UHFFFAOYSA-N 415.450 1.353 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)N(C)C)C1 1540887469 XTRKZUGSEYHOHF-LPHOPBHVSA-N 423.525 1.652 30 10 HDEE COCCOCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1555723529 AQKVAKQLNNCXEP-HNNXBMFYSA-N 405.430 1.388 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](c1ccccc1)c1nc[nH]n1)c1cc[nH]n1 1556951335 UFPKNFFPWYXMDL-QGZVFWFLSA-N 411.422 1.060 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc3ccccc3c2)CC1 1558073543 VLMVHMSHYBOMKZ-UHFFFAOYSA-N 413.499 1.415 30 10 HDEE Cn1c(N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)c(C#N)c(=O)n(C)c1=O 1559291807 RAFNMDHGFSYMCX-CQSZACIVSA-N 401.854 1.008 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)C1CCOCC1 1562496870 JWJTYAMLZTVXRB-QGZVFWFLSA-N 420.897 1.708 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1587661546 FAJJZQJNEWOOJE-ICSRJNTNSA-N 412.586 1.624 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)OC)c1 1587689865 RTOVPSIJCNWADP-OAHLLOKOSA-N 405.462 1.826 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1587851611 KOOPDECEGWIQDC-ZWKOTPCHSA-N 424.567 1.963 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@H]1C 1587869489 OCSDWXFLJIYZSR-QGZVFWFLSA-N 405.506 1.987 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1587915288 HWMBYLQYOOEFLM-OAHLLOKOSA-N 423.514 1.954 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1nncn1-c1ccccc1 1588229149 RMFGQNMQPZMGOM-SFHVURJKSA-N 401.474 1.874 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cc(F)cc(F)c1 1588638614 VHIAJONISKROEP-KRWDZBQOSA-N 403.433 1.836 30 10 HDEE C#CCSCCn1c(N2CCN(CC#C)CC2)nnc1[C@@]1(OCC)CCOC1 1589125945 SMKQZFNUZMCRIB-HXUWFJFHSA-N 403.552 1.052 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1593741784 XJYFFGMPJTWFSK-GRXQJBFDSA-N 419.526 1.595 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1593746373 COZYZCFSGGGHKO-GOSISDBHSA-N 420.558 1.959 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1595314315 OODVLUQVCKSWEY-QGZVFWFLSA-N 409.494 1.889 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(CC)n2)CC1 1595393413 ZTJIDWUEFAICGD-OAHLLOKOSA-N 401.540 1.756 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCCCC2)C1 1595789524 VKTFVIPCXPKUPN-INIZCTEOSA-N 421.567 1.991 30 10 HDEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1607276570 SMJMRVXDJFBWOA-UHFFFAOYSA-N 405.524 1.970 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1610393177 TXXWMISICGAIBY-LJQANCHMSA-N 416.522 1.704 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1616346214 GGGPUORAMXFEOO-AUVQNDJMSA-N 406.483 1.713 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1616611620 MNGUUVGGXUGZCF-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1 1617715278 SCNOJDGHZQRCDN-SFHVURJKSA-N 422.580 1.952 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C[C@H](O)COc1ccccc1C#N 1618183770 IFPQYWBHCUDLAD-SFHVURJKSA-N 418.519 1.014 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(C(=O)OCC)c(C)cc1F)c1cc[nH]n1 1623910470 FXXRKWHXGMMIFB-UHFFFAOYSA-N 420.397 1.956 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CS(=O)(=O)Cc1cccc(Br)c1 1624564989 IYMMTXJRTLZILX-UHFFFAOYSA-N 417.281 1.279 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1628086570 QSZTUHXUAVBBKI-INIZCTEOSA-N 424.519 1.643 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(C(=O)Nc2c(F)cccc2F)CC1 1628386256 RTFXLZZKSHTXTG-NXVVXOECSA-N 404.373 1.326 30 10 HDEE C=CCCC(C)(C)CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1628484758 RDKJWKMMQHVUPB-UHFFFAOYSA-N 423.583 1.825 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2=O)cc1 1628663119 XGMBGLUKVDLKAB-CVDCTZTESA-N 420.469 1.826 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)C#CC(C)C)CC2)cc1OC 1629145376 COPQBXIWHIMDMT-UHFFFAOYSA-N 408.520 1.880 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)N[C@H](C)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1629571116 DGWFZCXTCVRGGF-QGZVFWFLSA-N 422.570 1.859 30 10 HDEE C[C@H](CONC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)NC(=O)OC(C)(C)C 1630792287 CTNSWGWESCQEFK-LLVKDONJSA-N 415.443 1.698 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1)c1ccccc1 1630914769 UTUFAUGYDWCSGZ-QZTJIDSGSA-N 400.504 1.918 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1630940137 MULMKVFRGFMYOJ-QUSNUVHPSA-N 415.490 1.216 30 10 HDEE N#Cc1cc(NC(=O)c2sccc2S(N)(=O)=O)ccc1N1CCC(O)CC1 1631611427 VPJIQSSGQXJARZ-UHFFFAOYSA-N 406.489 1.481 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCCOCCO 1632474387 MVEUSWAKAWOOEL-SFHVURJKSA-N 403.479 1.908 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1633058501 AQQCGWRFFGNHJO-LSDHHAIUSA-N 424.494 1.753 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 1633141217 TVSBSSZSKSKOEV-UHFFFAOYSA-N 405.248 1.422 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H](CO)C3CCOCC3)C2)C1 1634335116 JBJIDYMYOOUOBS-NHUHVJRWSA-N 407.511 1.677 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)NCCc2nnc3n2CCNC3=O)o1 1634719026 GKHBMLPNQGTCKZ-UHFFFAOYSA-N 406.402 1.038 30 10 HDEE CC[C@@](NC(=O)Cn1cc(C#N)c(O)nc1=O)(C(=O)OC)c1ccc(Cl)cc1 1635211445 BTYGWNWIRLCBGD-SFHVURJKSA-N 404.810 1.069 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)C3CCN(c4ccc(C#N)cc4F)CC3)C2)C1 1635971022 HFLQWFMDKVPHKC-NRFANRHFSA-N 414.437 1.834 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c1 1637102983 TVXISRNMYNYUDI-DOTOQJQBSA-N 413.499 1.572 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1638239040 CKRKMIDRPHSFMA-UHFFFAOYSA-N 418.494 1.696 30 10 HDEE C#CCN1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)CC1 1638686137 KWQNMUZDIAEWSF-UHFFFAOYSA-N 419.532 1.931 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(CC#N)C1 1638886431 LLFFOZSOOJNQTR-KRWDZBQOSA-N 402.495 1.499 30 10 HDEE CCCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCN(C)C1 1639835264 BNSYGEYTWVJNDW-IBGZPJMESA-N 418.563 1.902 30 10 HDEE COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640637078 SNMHVRHGEDEYIP-LLVKDONJSA-N 414.443 1.171 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCO)CCNC(=O)OC(C)(C)C)c1 1642659772 NOESUMRRESAXDW-UHFFFAOYSA-N 404.467 1.135 30 10 HDEE CC1(C)C[C@@H](O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1642804000 ZMUKGDXSLTXMMY-QGZVFWFLSA-N 405.520 1.578 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1ccc([N+](=O)[O-])c(N)c1C#N 1642866089 FXMPFIZCPIYYOC-UHFFFAOYSA-N 422.445 1.713 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)N(CC#N)CCC(=O)OC)cc(C(C)C)nc21 1642946913 MSHNDURHIQTFTG-UHFFFAOYSA-N 415.450 1.559 30 10 HDEE COC(=O)C1(O)CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1644205521 GDJYLNSAJGEORK-MRXNPFEDSA-N 415.446 1.139 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1644705922 DXKKZTFYVYXAPP-RBZFPXEDSA-N 416.482 1.941 30 10 HDEE COC(=O)C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCCC1 1644852462 KETPOCYPPLRJHO-BBRMVZONSA-N 421.519 1.742 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H]([C@]2(C)COC(=O)N2)C1 1645688832 QZHQTZPAUAZXGG-KKSFZXQISA-N 410.478 1.888 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 1646157193 GTRLZKOYOLVVQZ-UHFFFAOYSA-N 402.838 1.423 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@@H](CO)[C@H](O)c2cccnc2)cc1Br 1648705383 UBLKRFYMYYURDP-DOTOQJQBSA-N 406.236 1.305 30 10 HDEE CN(C[C@H](O)CC1(C#N)CCOCC1)[C@@H](C(N)=O)c1cccc(Br)c1 1653074803 OAHIKNHEGFTLOA-HZPDHXFCSA-N 410.312 1.979 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCCN1C(=O)OC(C)(C)C 1653896348 NMHZTFQVTXSSON-MTNREXPMSA-N 421.538 1.121 30 10 HDEE C=CCN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1657599454 JLDFFOZPIBBUTM-SJORKVTESA-N 402.557 1.670 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1662071754 MFMXIMJRXIEOMG-ZDUSSCGKSA-N 409.389 1.584 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)C1=O 1663627439 KLZFPWUOLPOEMO-QGZVFWFLSA-N 403.504 1.393 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)N2CCCC2)CC1 1671635060 OLWRORLOGBZTKT-UHFFFAOYSA-N 414.549 1.563 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)C1 1679943726 ASDMGLZJSMQDKT-HOTGVXAUSA-N 420.514 1.192 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])nn1 1680756468 HBMOKCRYOQNMNC-UHFFFAOYSA-N 400.443 1.446 30 10 HDEE CO[C@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@@H]1CCOC1 1683932528 ZXPYUDYUJBNTHM-DNVCBOLYSA-N 412.494 1.609 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1685177203 NSWXNLLIWGUOQZ-BQGMYUGNSA-N 413.503 1.515 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)NCCNS(=O)(=O)Cc1ccccc1)C2 1685240460 HBTVCKNFHMFFLU-UHFFFAOYSA-N 412.515 1.940 30 10 HDEE C#CCN(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1686851471 TVVBEBUGNHYEDI-JKSUJKDBSA-N 400.541 1.822 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1689886981 LPZKYMGFFFNTBW-QGZVFWFLSA-N 405.462 1.568 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC1CC1 1689943773 CCUFSMXEEZOWRE-UHFFFAOYSA-N 414.897 1.457 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1689949392 AYLQZNDJDIFOBO-OAHLLOKOSA-N 402.451 1.456 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CC(=O)N(CCOC)C1 1689969238 PUNUDTOQEZHSBA-KRWDZBQOSA-N 421.505 1.081 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689980622 VJUVACDKAQRMDU-ULQDDVLXSA-N 408.568 1.875 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)COCCO1 1690026933 RJIPCVSIAGEMRL-QFIPXVFZSA-N 410.474 1.744 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1690075173 DOFDXYZAYHPOPN-INIZCTEOSA-N 418.542 1.940 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1690169404 AEQULGXTWXUOGQ-INIZCTEOSA-N 401.540 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690661627 BDJOMTAXTFANJZ-GOEBONIOSA-N 414.897 1.616 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1696596554 BYQGLOZHEGRMRM-ZBFHGGJFSA-N 410.507 1.828 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1696990398 DDQLUNGOEGMVHV-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cn1 1697458883 HEISUOREQMWRPR-KRWDZBQOSA-N 408.466 1.320 30 10 HDEE C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1CCCNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21 1702616480 MZEDWQYHORIECS-XJESJRCUSA-N 402.535 1.975 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(Cl)cc1OC)[C@@H]1CCS(=O)(=O)C1 1705561778 UATRBVJMISVZGZ-MRXNPFEDSA-N 408.911 1.924 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(COC)cc2)CC1 1705632402 OSUWXAVWMYRORI-UHFFFAOYSA-N 410.522 1.366 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)C(C)(C)C)CC1 1705637245 OMEPQTRCYBRFPC-UHFFFAOYSA-N 415.563 1.914 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](COC(C)C)C1 1705652657 HYFLHNVBOZWFIF-QGZVFWFLSA-N 421.567 1.511 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCNC(=O)[C@H]1CC 1705656876 LVXUCBJJNANVGE-OAHLLOKOSA-N 413.503 1.755 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1705656879 LYGGYBAZXKMHPU-UHFFFAOYSA-N 420.560 1.897 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1705684906 GWLJRIKUWZVPSC-AWEZNQCLSA-N 422.331 1.801 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1705905897 LBNSHICYQCCXCO-UHFFFAOYSA-N 414.470 1.479 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@H]1C 1705931107 GBSXGGBJJDSANA-CQSZACIVSA-N 421.479 1.679 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1706075574 PQDBGXNVHKJMSS-PVAVHDDUSA-N 414.485 1.861 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1706076155 YMFLCUAHBAQJAE-CVEARBPZSA-N 417.539 1.673 30 10 HDEE CN(C)C1(Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1711003641 AKBMYXYHDFGLFU-HXUWFJFHSA-N 413.501 1.817 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCN2CCCCCC2=O)CCO1 1712883918 CFJASTGCMZDXIX-LJQANCHMSA-N 423.521 1.785 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCC(=O)N1CCOCC1 1722301921 OVXLRRCZQWDQNA-SFHVURJKSA-N 420.517 1.988 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1cccc(C(=O)N(C)C)c1 1722424820 BJYRDAQLLVYJTP-UHFFFAOYSA-N 419.489 1.571 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1722440959 HFKXTQYMGVSHNE-UHFFFAOYSA-N 410.522 1.320 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1722523237 JDVRKRHDNUUGCJ-IRXDYDNUSA-N 402.543 1.537 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1722532330 IXUGTBLQHLCBQQ-MRXNPFEDSA-N 415.498 1.897 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722602830 CESCZEVHVBJXCN-HZPDHXFCSA-N 422.555 1.093 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc2c(c1)OCO2 1722697110 FWQCGOQROZORPQ-UHFFFAOYSA-N 407.434 1.402 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCCO[C@H](C)C1 1722729484 MEZQLBPDYRRJLV-MRXNPFEDSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1722732167 VRYUUTOSEWZRFE-MRXNPFEDSA-N 412.556 1.547 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CCCn2cc(CO)nn2)C1 1724009084 BQHMJPPXKDDIRF-OAQYLSRUSA-N 421.509 1.568 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740575039 PMDLSAVUJYJZQB-DLBZAZTESA-N 419.551 1.185 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCOCC1 1740685404 MYKXIWCZYXNCCX-RTBURBONSA-N 405.543 1.226 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc21 1740688407 PZXVATUDMUCTMV-KRWDZBQOSA-N 409.490 1.663 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1740717361 QGUSJSGCGLWORI-ZACQAIPSSA-N 424.592 1.694 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)C1 1740761766 AFXKODMTQPJNNJ-BEFAXECRSA-N 416.551 1.893 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1740904271 FBLXTLRRRMLIBC-UHFFFAOYSA-N 415.494 1.770 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1)C1CC1 1740909913 CVPFEZSIKGKVAP-INIZCTEOSA-N 407.496 1.407 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1740959004 YOZNBCIEMPPGLO-FGTMMUONSA-N 419.489 1.275 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCCN(CC)C(=O)C1 1740989468 NSQRLXUYSGLDCL-UHFFFAOYSA-N 417.535 1.605 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1741130682 BCFISYXYSFPUBT-SJORKVTESA-N 422.599 1.898 30 10 HDEE CN(CC1CCOCC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747869262 PCGKOGNAMPBOJQ-FMQUCBEESA-N 414.510 1.620 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1748824659 GLIKVLMMGIYLGR-KRWDZBQOSA-N 405.458 1.427 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748851483 FQUGGUYJFRTBOP-SFHVURJKSA-N 404.518 1.972 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1748908210 VXZAXPLCRYFPIR-FCHUYYIVSA-N 415.538 1.789 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1748927864 WMZBDINTTBZYBT-CYBMUJFWSA-N 406.288 1.348 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(O)c2)CC1 1749010115 NTXHLRDZDSIONO-GOSISDBHSA-N 409.490 1.502 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOCC(C)C 1749054512 ULGJGQATAOSZLP-QFBILLFUSA-N 411.572 1.943 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1749538203 FJPYHJLQRZRJSN-GOSISDBHSA-N 424.505 1.281 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1749626043 KDBREIYDJBUIDV-CVEARBPZSA-N 422.555 1.246 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)S[C@@H](C)C1 1749733759 BLIWFCCKQVOBGQ-SOUVJXGZSA-N 400.570 1.713 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccnn1C)C1CC1 1749734059 DQYJUFGVVOPYEL-OAHLLOKOSA-N 420.539 1.285 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1751007108 OTEGLONHBKEYTB-YAJHFMINSA-N 407.515 1.597 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1752418653 BFSYTAZNBQYJRP-WBVHZDCISA-N 401.515 1.080 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1760206042 PNDKZZIOHYTRIB-OALUTQOASA-N 403.486 1.908 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](CCC)OC)CC1 1760269764 OIFBRMGGIRBRMO-MSOLQXFVSA-N 403.527 1.563 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1760399750 VFEIMOIMPJSXDI-UHFFFAOYSA-N 400.508 1.768 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1760503337 GGHMFPYHIVCTFX-INIZCTEOSA-N 422.599 1.695 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC)C1 1760504969 HHBSQDRWDOERKW-SJORKVTESA-N 411.572 1.161 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CCCNC(=O)c2cccc(O)c2)CCO1 1771537306 LVZYBZYHOZEJSQ-GOSISDBHSA-N 410.478 1.800 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N[C@H](C(=O)NCC#CCN2CCOCC2)C(C)C)c1 1850334255 LAPACOQPCAWQAX-FQEVSTJZSA-N 421.563 1.058 30 10 HDEE CN(C)C(=O)[C@H]1C[C@H](OC(=O)c2ccc(CC#N)cn2)CN1C(=O)OC(C)(C)C 1852157723 SUKUXNYLSKBEQL-GOEBONIOSA-N 402.451 1.771 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(c3ccc4c(c3)OCCO4)C1)C(=O)C2 1852555507 CCGJKZPFHOPCII-OAHLLOKOSA-N 403.394 1.798 30 10 HDEE C=CCN(C(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)[C@H]1CCN(C)C1=O 1852744489 FITVSFKAWSJLSO-SFHVURJKSA-N 414.462 1.692 30 10 HDEE NC(=NOCCC(=O)N1CC(F)C1)c1nnn(-c2ccccc2)c1-c1ccncc1 1853437463 NSDSLUSWRHEBDW-UHFFFAOYSA-N 409.425 1.537 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(OC)cc2OC)C1=O)[C@@H]1CCN(C)C1=O 1853828372 LHFWSYXHUZRTGF-ZWKOTPCHSA-N 415.490 1.554 30 10 HDEE CON(C)C(=O)C1CCN([C@@H]2CCCN(C(=O)c3ccc(C)c(C#N)c3)C2=O)CC1 1854030759 WWCZQQVKEVYIAZ-LJQANCHMSA-N 412.490 1.730 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccccc1Cl 1854624213 RBOOMHGVRYSQDX-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc3c(c2)CCCC3)CCN1S(=O)(=O)CC#N 1854693636 FOYAXKDTUQHLBE-OAHLLOKOSA-N 403.504 1.411 30 10 HDEE CC(C)C(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 1855828583 QDMLCUDBDLWYGV-KRWDZBQOSA-N 405.476 1.962 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2)CC1 1855905924 JTBZODDLDDBPBI-SJORKVTESA-N 412.465 1.789 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCS(=O)(=O)c2ccccc2)C(=O)C1(C)C 1856769139 WCUGTWBOJVRSPY-INIZCTEOSA-N 405.520 1.992 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857223844 QWEUIBOXZPKXPT-MSOLQXFVSA-N 416.522 1.015 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862606838 AYHUQJMFHFNGKQ-GOSISDBHSA-N 413.382 1.440 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1c(Cl)cccc1Cl 1874432772 WQJGATZOBHFIHA-PTXOJBNSSA-N 401.279 1.681 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985106298 YCHBNGKSHLOIOO-FOLVSLTJSA-N 410.320 1.766 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2CC#CBr)CC1 2006180882 CDIIWYHIZFGKBX-CQSZACIVSA-N 400.317 1.886 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@H]1C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2010401280 CEYGFAPCECJQEK-TUVASFSCSA-N 422.331 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](CO)C1 2116329197 HHHZCNLMRGEWJA-WCQYABFASA-N 401.510 1.516 30 10 HDEE C#CCN1CCC(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2139200632 MRQACBOZDXVVRM-HXUWFJFHSA-N 421.494 1.028 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174782546 RIXCLXMNIHXSKM-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)CNC(=O)OCc3ccccc3)s[nH]2)OC1(C)C 2241557559 AEIHPWFTMPWBDJ-UHFFFAOYSA-N 418.284 1.124 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2241812165 YCHPXPYWGWHUGB-YJYMSZOUSA-N 401.504 1.848 30 10 HDEE C[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247817219 KTGLIDCJMXYLGE-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056388 QBBKUBUZVNQFTK-STQMWFEESA-N 418.303 1.419 30 10 HDEE C=C(CNC(=O)C1CN(C2CN(C(=O)OC(C)(C)C)C2)C1)B1OC(C)(C)C(C)(C)O1 2248537155 UFWRMGSKOPKBGD-UHFFFAOYSA-N 421.347 1.841 30 10 HDEE C=CCSCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2249436411 BMFWZFAUJRRSHK-HNNXBMFYSA-N 416.521 1.293 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N(Cc3ccccc3)CC3(O)CNC3)nc2)OC1(C)C 2255869594 DNVAHVGPBHOKHE-UHFFFAOYSA-N 423.322 1.358 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258166013 OLSPXFXAKYBWRK-XJKSGUPXSA-N 409.464 1.320 30 10 HDEE C#CC[C@@H](C)CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167522 COENUGKWHCDHON-NVXWUHKLSA-N 410.492 1.375 30 10 HDEE C#CC(CO)(CO)NC(=O)c1ccc(Br)c(NC(=O)OC(C)(C)C)c1 2261453862 NWUBZJBBOQXYJC-UHFFFAOYSA-N 413.268 1.883 30 10 HDEE CC(C)(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2267352397 DYGJSHNJZAZVDL-UHFFFAOYSA-N 408.738 1.243 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267717346 BRRXTUXFQKXSDV-NEPJUHHUSA-N 404.388 1.029 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)c1cnn[nH]1 2282312507 XMENEGMSNPDPDN-MRVPVSSYSA-N 418.737 1.858 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282322172 HNHOZATZBSUHEL-VWLOTQADSA-N 406.310 1.388 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N1C 2282342468 HWXZRIZCKWKJEP-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2[C@H]3CC[C@H]2CSC3)OC1(C)C 2282505361 CDOAFZBPKUHZNU-RYUDHWBXSA-N 416.399 1.852 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CO 2282509726 OFACCGPCFOHETR-LBPRGKRZSA-N 403.375 1.874 30 10 HDEE COCC[S@@](=O)CCNC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282600654 ZUXMPNPDWNTDDX-SANMLTNESA-N 401.359 1.481 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282607563 LEDRQZXQFGWUNF-UKRRQHHQSA-N 405.304 1.333 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H]2N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282834137 PTQZBMYHUMNNCL-STQMWFEESA-N 400.375 1.727 30 10 HDEE CN([C@@H]1[C@@H]2CNC[C@@H]21)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834730 MWUDHRXHBOEJNZ-DDFAGTSDSA-N 418.777 1.539 30 10 HDEE COCCSCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842838 DOMXLGKNTGMJQF-UHFFFAOYSA-N 422.403 1.241 30 10 HDEE CC(C)(O)CCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846411 JFQCYAFYYCROCY-UHFFFAOYSA-N 404.363 1.413 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)CC(F)F 2282846984 RMGXOSXAWCJNIB-UHFFFAOYSA-N 411.301 1.604 30 10 HDEE C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282852282 NGMUIXVEAYPDIX-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCO1 2282858965 GELURKHBOBLQRO-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284403636 RUVSGCDVVZVYMN-LLVKDONJSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)[C@@H](O)CC3)sc2Cl)OC1(C)C 2284536036 DDKXTYZURIUPGU-RYUDHWBXSA-N 401.721 1.659 30 10 HDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccnc1 2296598839 WQCURNUVUUFQQP-IBGZPJMESA-N 409.442 1.836 30 10 HDEE C[C@H](NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)[C@@H](C)NC(=O)OC(C)(C)C 2300271998 ORLROIFTLWFGPF-QWHCGFSZSA-N 422.335 1.751 30 10 HDEE CC#CCN(C[C@@H](O)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2328467900 KNFQTPNFPHDBCY-GFCCVEGCSA-N 417.304 1.981 30 10 HDEE COCCc1nnc(SCC(N)=O)n1N=Cc1cc(Br)ccc1O 2331260199 OHHIVXVPHLNEKX-UHFFFAOYSA-N 414.285 1.395 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)c2cn[nH]c2)OC1(C)C 2343821145 IBQALPSTAGOEME-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2367788760 QHLCOLNJCLVPLR-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE CC[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367825152 OPJRUASOFNZWNI-SPYBWZPUSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2370792369 NHOLKZZPJTVZIE-KKUMJFAQSA-N 400.541 1.291 30 10 HDEE Cc1cc(C)n(Cc2ccc(/C(O)=N/S(=O)(=O)c3cc(C(N)=O)n(C)c3)cc2)n1 61067300 LCHQRLQRJOOARN-UHFFFAOYSA-N 415.475 1.679 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)NCC#Cc3ccc(C(=O)N(C)C)cc3)CC2=O)c1 96348391 KQUFNALKWWYJJE-IBGZPJMESA-N 419.481 1.918 30 10 HDEE COc1cc([N+](=O)[O-])cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1O 169907701 ZOOVUOKOGGJTAL-FRKPEAEDSA-N 408.348 1.056 30 10 HDEE COc1cc(C=NN(CCO)C2=NS(=O)(=O)c3ccccc32)cc(OC)c1OC 254760597 XGVAJMHMKWYICR-UHFFFAOYSA-N 419.459 1.490 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[C@H](O)C(F)(F)F)CC2)cc1 410058582 LRVSXFCXDOENOB-HNNXBMFYSA-N 419.425 1.388 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(=O)(=O)NC(C)C)c[nH]3)CC2)c1C#N 427594411 QERZMVJGRSDAAW-UHFFFAOYSA-N 422.536 1.300 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCO)[C@@H](C)C2)nnc1-c1ccco1 428523768 HAVSXLPDSJDBPS-HNNXBMFYSA-N 405.524 1.731 30 10 HDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1F 433637302 DJZJFJXNKKAQHU-UHFFFAOYSA-N 413.452 1.426 30 10 HDEE C=CCC[C@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 435107226 SPAUCXZDSFDBSN-IBGZPJMESA-N 422.551 1.598 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@H]21 460389171 PXZPPHSRYCNQIK-ZACQAIPSSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 460807704 FPJBFKASMXUDSV-QHCPKHFHSA-N 412.534 1.375 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)cn1 461744937 IPDWWCBCJNOTLB-VYDXJSESSA-N 411.491 1.803 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)OC(C)(C)C)C1 463901874 MEHIYDODJVSNPC-GDBMZVCRSA-N 421.519 1.805 30 10 HDEE CC[C@H](C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 464106928 BPDWLDLXTINNJG-LLVKDONJSA-N 402.270 1.221 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 481759344 WDTLOPXCNNMGMX-USXIJHARSA-N 423.560 1.738 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)N3CCOCC3)c2)cc1C#N 489118624 ULKXTQLHDGUTMS-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCS(=O)(=O)c2cccc(C#N)c2)C1 502304417 QWSSJCSTPLLGQY-INIZCTEOSA-N 401.492 1.893 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508949342 HLALBCIODDRXDD-CQSZACIVSA-N 400.487 1.275 30 10 HDEE CN(C)C(=O)C1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 537260508 ZZKRRLWHUDSCNK-HXUWFJFHSA-N 415.513 1.335 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)c2c(F)cccc2F)c1 547933736 XGRCDTOYRBLDFQ-MRXNPFEDSA-N 410.398 1.985 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 549645732 YXBGNBFSFHLKLW-XHSDSOJGSA-N 413.544 1.048 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](CCC)C1 558964622 JYBAQKWBCPQNKJ-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 588292448 XLQFEJQBXXMWMQ-JKIFEVAISA-N 404.492 1.895 30 10 HDEE CCOc1cccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 610814501 KQERWGQQVUGKJX-CQSZACIVSA-N 402.476 1.378 30 10 HDEE CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 611547579 DLRRUAKQBSUNAH-UHFFFAOYSA-N 411.506 1.555 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 611673860 GYGSDMIJHLQMAP-GOSISDBHSA-N 403.508 1.549 30 10 HDEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccncc1 613371126 SUOMIHQLXKVJGP-CYBMUJFWSA-N 400.508 1.744 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 670232746 KLZIJHPBWIIMFX-KRWDZBQOSA-N 419.551 1.994 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)[C@@H]1CCS(=O)(=O)C1 729334832 WHDXXXQUGSJZGR-OAHLLOKOSA-N 418.519 1.175 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@H]2CCOC2)C1=O 731560673 XMGDXZFRCZRJQS-YOEHRIQHSA-N 416.503 1.679 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 731861517 DUGUHFNYECOBBJ-SLNYWTKHSA-N 410.474 1.110 30 10 HDEE COc1ccc(OC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732465630 HGTZQZFCPBJZIV-FMQUCBEESA-N 414.462 1.774 30 10 HDEE CCCCNS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732696748 OEVBUQNWTUJPGR-KRWDZBQOSA-N 405.524 1.969 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@H](C#N)c2ccccc2Br)c(=O)n(C)c1=O 733266906 PPXQVNNJZQJKHJ-HSBSLETESA-N 403.236 1.241 30 10 HDEE C[C@H](CC(=O)NCCCNC(=O)OC(C)(C)C)/N=C1/NS(=O)(=O)c2ccccc21 742636353 JUQIKKSEFOQPJW-CYBMUJFWSA-N 424.523 1.535 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)N2CCN(c3ncccc3C#N)CC2)C1 748285058 GDYLDLHUBUSQLV-FQEVSTJZSA-N 403.458 1.951 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)c2cccnc2)cc1 764909127 HNMFYCJLFNVEKJ-HAVVHWLPSA-N 415.475 1.263 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(N3CCOCC3)CCC2)c1 770486617 TVFQAFCPPXEUEM-PYCFMQQDSA-N 420.535 1.693 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 772931331 DQLCLBMYIISRAZ-ZBFHGGJFSA-N 409.508 1.748 30 10 HDEE CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc(C3(C#N)CC3)cc2)c(=O)n(C)c1=O 777173191 DCXHSSFBPAMCMM-UHFFFAOYSA-N 424.457 1.380 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 779953269 DSLADCUHLMUYCD-CQSZACIVSA-N 407.883 1.728 30 10 HDEE C[C@H](NC(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCCCC1 780178671 ZYIKKMOYIVLDMB-XOBRGWDASA-N 409.483 1.308 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 780979160 AHCQCBLNACYJMX-QGZVFWFLSA-N 404.515 1.603 30 10 HDEE CCOC(=O)C1=C(C(=O)CC)[C@@H](c2c(Br)cnn2C)NC(=S)N1 783807920 UHPUAUNRALMOBH-JTQLQIEISA-N 401.286 1.498 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@H]2C)cc1 784695796 RINYMPLJMPILIP-CQSZACIVSA-N 401.492 1.530 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 785931966 IEMRYLNYKNEECZ-LBPRGKRZSA-N 416.293 1.729 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2cc(C(C)(C)C)nn2-c2ncccn2)CC1 789263669 HSIZDVWGTZCDHG-UHFFFAOYSA-N 409.494 1.953 30 10 HDEE C#CCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 790680530 YZWZXXKSBRXNAV-CQSZACIVSA-N 414.325 1.925 30 10 HDEE CC(=NNc1ncnc2[nH]cnc12)c1ccc(Br)c(S(N)(=O)=O)c1 797402061 SMLHHHFDRQSUET-UHFFFAOYSA-N 410.257 1.599 30 10 HDEE COC(=O)c1cscc1C(=O)OCC(=O)N1CCN(c2oc(C)nc2C#N)CC1 808641056 IFRJHIGIURNPDN-UHFFFAOYSA-N 418.431 1.208 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 812180593 YKJUVOKKAJIALX-GJZGRUSLSA-N 420.514 1.474 30 10 HDEE O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)N[C@H]1CCN(O)C1=O 820185009 HCRXPTRQHRPZDL-JTQLQIEISA-N 408.505 1.615 30 10 HDEE C#CCN(C(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)[C@@H]1CCS(=O)(=O)C1 918755510 AHEANZPQZMLRAZ-GFCCVEGCSA-N 406.460 1.456 30 10 HDEE COc1cc(C=NNc2nnc(SCc3nnc(C)o3)n2N)cc(OC)c1OC 1084369784 DYJLRPCLERUKDP-UHFFFAOYSA-N 420.455 1.447 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)nn1 1128261479 MSFLUZRNFBVDDP-UHFFFAOYSA-N 405.480 1.350 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1131717949 MGOMVRTZNQUFIK-MRXNPFEDSA-N 422.503 1.028 30 10 HDEE CCOc1cc(C(=O)OC)ccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1133673178 DZRJIHKADXNACO-UHFFFAOYSA-N 417.443 1.549 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCN(C[C@H]3CCOC3)CC2)cc1Br 1136399571 DTDUXIWWPHWOEZ-CQSZACIVSA-N 408.296 1.880 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CCNC(=O)c2ccc(OC)cc2)CC1 1136697178 IOUDKKNFGLGGST-FQEVSTJZSA-N 416.522 1.040 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1137118640 FXMQFHRIKJTZJY-QOLBRVKBSA-N 418.494 1.425 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2c(CC)nn(C)c2OC)s1 1137865578 XJONBIFMFYHHIG-UHFFFAOYSA-N 412.537 1.376 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC(N4CCNC4=O)CC3)CC2=O)cc1Cl 1141972142 AGEBHKFTYNOXAF-AWEZNQCLSA-N 415.881 1.581 30 10 HDEE COc1ccc(Br)cc1C1(NC(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1142945410 DRYRWCZLQFJEPE-UHFFFAOYSA-N 419.235 1.397 30 10 HDEE C[C@H](NC(=O)C1(c2ccc(C#N)cc2)CCCC1)C(=O)N1CCS(=O)(=O)CC1 1143814796 WFQILBGHDPSEHT-HNNXBMFYSA-N 403.504 1.132 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCCCN(C)C(=O)OC(C)(C)C)CC1 1144026820 LAZYPUOZUJWTHO-UHFFFAOYSA-N 408.543 1.307 30 10 HDEE CC1CCN(C[C@H](C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1147288139 RXHWRHMLEMAWIH-LPHOPBHVSA-N 411.506 2.000 30 10 HDEE C=C(CCN(C)C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 1148206814 YDDJCNXJXKQFDP-UHFFFAOYSA-N 416.494 1.807 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1151407451 KQYKVLYZVBQTBD-FQEVSTJZSA-N 409.471 1.316 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(C)(=O)=O)cc(Br)c2C)C1 1154959652 VJQXIJYYZQIWIJ-ZDUSSCGKSA-N 413.337 1.988 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Nc3ccccn3)CC2)cc1 1155684697 LQARFEHGGXCNRE-UHFFFAOYSA-N 413.503 1.990 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)nc1 1160688067 HKDIGAXRWJYIMK-UHFFFAOYSA-N 400.460 1.029 30 10 HDEE CCON(CC)C(=O)CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1166898962 ZTZLNEPEXRBWBS-OAHLLOKOSA-N 424.523 1.056 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1167585667 NUPCJOHEYCTYFL-TZMCWYRMSA-N 419.425 1.979 30 10 HDEE C#CCN(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1190707773 MDDXMFLNLBCTKZ-INIZCTEOSA-N 417.506 1.656 30 10 HDEE C=CCN(CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)C(C)(C)C 1196198762 RKCKCFLYJDXULK-UHFFFAOYSA-N 424.523 1.714 30 10 HDEE Cn1nccc1[C@H]1CN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CCO1 1213873450 HADOZVBDANRMRJ-OAHLLOKOSA-N 411.281 1.816 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1 1219084399 KXDPLFNXZMNOPP-LBPRGKRZSA-N 409.240 1.782 30 10 HDEE C#C[C@H](CC)NC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1229531804 NTIISBGMVKKPAJ-FPCVCCKLSA-N 406.483 1.622 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cn1 1248375828 PRVBTAZGRYPSLI-VIFPVBQESA-N 419.239 1.306 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN4CCSC[C@H]34)CC2)c1C#N 1255385686 KOKILQRSFHSXHF-JKSUJKDBSA-N 406.581 1.735 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1268983522 WSVIQGBNUQXMBP-QGZVFWFLSA-N 414.506 1.880 30 10 HDEE C[C@H](CN1CCOCC1)N(C)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1271082073 GAXLXODDHGEVEY-ZBFHGGJFSA-N 404.898 1.744 30 10 HDEE C=CCn1cc(C(=O)NC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 1273448237 DPIOYLDVPOJRJI-HNNXBMFYSA-N 417.535 1.823 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286349872 PYJKDSVMWPJCSI-IRXDYDNUSA-N 422.551 1.368 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1286377071 RJHFBDKXZXMCGP-OAHLLOKOSA-N 405.499 1.503 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)N(C)C)CC1 1286474634 ODENBXALLLRCFT-UHFFFAOYSA-N 401.902 1.227 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2CCCO[C@H](C)C2)CC1 1286478583 DMSJTPPDBZQJCW-LJQANCHMSA-N 400.571 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1286522899 PQWJLTWPGVBRKM-QFBILLFUSA-N 402.524 1.377 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1286537552 FPGMCYJVZYDJBW-MEDUHNTESA-N 411.304 1.100 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286546503 BABQYLJZRPODTC-HNNXBMFYSA-N 414.348 1.882 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1CCOCC1 1286727303 OZSGHWPZZFEJND-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1286764569 SVGYKLOVAASAIQ-KKSFZXQISA-N 412.494 1.536 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@@H]1C 1286769389 USVMONUGLCWFKQ-KUHUBIRLSA-N 407.540 1.813 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1286784850 VXECRBQMBQFOTA-UHFFFAOYSA-N 421.505 1.566 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](Oc2ccccn2)C1 1286788292 UFJWOPJMTCUONH-IRXDYDNUSA-N 412.494 1.527 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)C2)cc1 1286793771 LUMCNWYAJYLLDC-UHFFFAOYSA-N 410.478 1.063 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1286965168 HGXXWCJOEHNGAD-PBHICJAKSA-N 405.466 1.454 30 10 HDEE N#Cc1ccc(Oc2cccc(C(=O)NC[C@]34COCCN3C(=O)COC4)c2)cc1 1287914504 HBFNDMWXMGSEFG-JOCHJYFZSA-N 407.426 1.708 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288282355 TUHDGJQEONFEGD-MIALQEHNSA-N 407.515 1.597 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@H]1C(=O)OC 1289742462 SJTUSCVVTJQGMU-IAGOWNOFSA-N 410.430 1.498 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1292911091 SLJDRNJFXBFPJK-YCTJDYOESA-N 407.467 1.174 30 10 HDEE CN1C(=O)CN(NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1295173056 LHMIDWOSRQLGAG-MRXNPFEDSA-N 413.434 1.318 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H](CO)C2CCOCC2)C1 1297193289 JKYIRLIZEQUQOX-MRXNPFEDSA-N 408.296 1.661 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cc(C)no1 1297288367 UTERBPIEEJSPGI-UHFFFAOYSA-N 408.466 1.753 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(C)(C)S(=O)(=O)CC1 1297349923 KFHCPHDWXGMVHR-AWEZNQCLSA-N 401.529 1.999 30 10 HDEE Cn1cc([C@@H](NC(=O)Cc2ccc(Br)cc2C#N)c2ncon2)cn1 1298582379 YSNIGBAQSHIHPJ-OAHLLOKOSA-N 401.224 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1300307584 GKNRYIZBWHOMBA-ZFWWWQNUSA-N 404.492 1.401 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1300432049 RBUUWRLFQHUUTO-LJQANCHMSA-N 410.540 1.213 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(CC)CC 1300578112 HRTLKWPMFRHRSC-GOSISDBHSA-N 405.568 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1noc2c1CCCC2 1300590730 FVJPQYNRNSEBKE-UHFFFAOYSA-N 406.490 1.779 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1300613332 FONFTNSUSIUARP-UHFFFAOYSA-N 405.480 1.025 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CNC(=O)c3cccs3)n2C2CC2)CC1 1300730956 IANJQEQWLHEQOT-UHFFFAOYSA-N 412.519 1.570 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1Cc1cccs1 1301477402 AAXUJBNYTQJJTA-HNNXBMFYSA-N 416.551 1.992 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301492234 BMNUSZMCCOJZCL-HNNXBMFYSA-N 419.489 1.462 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301615618 QRLSHLLKZCXVJC-INIZCTEOSA-N 407.565 1.806 30 10 HDEE C[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)N1CCCCC1 1303665761 FSJXKVOLOBKURJ-MSOLQXFVSA-N 415.542 1.394 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)C1 1304597051 ZQPLXDSZROEKHJ-UHFFFAOYSA-N 400.412 1.036 30 10 HDEE N#Cc1ccc(C2(NCC(=O)Nc3cc(-n4cnnn4)ccc3F)CCOCC2)cc1 1307997159 ZWXYTFGZIHCJPJ-UHFFFAOYSA-N 421.436 1.907 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OCC 1309505564 CQUSYELCYVKZGD-CYBMUJFWSA-N 405.494 1.275 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CCOCC1 1313042862 JNXHTYDVIBFMEX-LAUBAEHRSA-N 407.511 1.836 30 10 HDEE N#CC1(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCOCC1 1313406160 DROMRLSEMORZNJ-UHFFFAOYSA-N 401.423 1.383 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(C)C)CCOC1 1314143363 VGYXBVDNXUULND-FXAWDEMLSA-N 407.515 1.722 30 10 HDEE CN1C[C@@](C)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1314920828 RTFIJJFGADFUPU-QFIPXVFZSA-N 421.505 1.387 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1316541300 WBVKXKJHGYPGRT-CHWSQXEVSA-N 423.399 1.910 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)C1 1325160564 YOWOXHVIVOBXRC-CYBMUJFWSA-N 405.879 1.744 30 10 HDEE COc1ccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1S(C)(=O)=O 1357209286 DVCQHQJIRVLCLM-UHFFFAOYSA-N 400.460 1.328 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C(=O)NC)C1 1359219424 QENVVCNTQDEPHH-AWEZNQCLSA-N 418.523 1.187 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2oncc2C1 1359328416 CRJXEONEEADQDK-UHFFFAOYSA-N 403.464 1.998 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1359331991 LXVUKKPCDRUJNH-HNNXBMFYSA-N 409.556 1.449 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1CCOCC1 1360693089 FGNJFRZLKDVGKR-KDOFPFPSSA-N 410.544 1.445 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC(=O)N2CCOCC2)C1 1360784574 HLYGWHNHOHKESP-NRFANRHFSA-N 409.494 1.253 30 10 HDEE N#Cc1c(CCCNC(=O)COCc2ccnc(O)c2)nn(-c2ccccc2)c1N 1441136450 LFAPTAGDVJSSOL-UHFFFAOYSA-N 406.446 1.692 30 10 HDEE CN(C)[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1448058650 BFUZWOMCQCVHJK-HNNXBMFYSA-N 423.395 1.649 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@]2(C)c2cccc(Br)c2)CC1 1449060092 JVXXQWXONKGHGG-FXAWDEMLSA-N 418.335 1.620 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 1456955045 MBJBSIBJVJGLAK-AEFFLSMTSA-N 410.430 1.925 30 10 HDEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)CCc2c(C)nc(O)c(C#N)c2C)O1 1462967424 LVTHYRVLKOVARU-IPELMVKDSA-N 403.479 1.630 30 10 HDEE C[C@H](CC(=O)N1CCN(C)[C@H](C(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1469616776 AARCKZKWRZBZIJ-PBHICJAKSA-N 406.552 1.692 30 10 HDEE CON=CC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1470406371 JYFHXGNFQUBSRK-OAHLLOKOSA-N 420.514 1.805 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OC 1471894060 UHPRSIIZMYWHFP-QRWLVFNGSA-N 405.426 1.607 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1cccnc1 1471984167 QKISUHWLEQDPRD-UIFIKXQLSA-N 420.473 1.350 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)c(F)cc3F)C2)c(=O)nc1O 1472371559 TWEUJRFCUQICCG-UHFFFAOYSA-N 411.162 1.558 30 10 HDEE C=CCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)cc1 1478615578 NYIGUHHKVPDYIQ-UHFFFAOYSA-N 405.480 1.191 30 10 HDEE C#C[C@@H](NC(=O)N1CCc2nn(C)c(=O)cc2C1)c1ccc(Br)cc1 1478895975 ICURLQGDZSPXCV-OAHLLOKOSA-N 401.264 1.985 30 10 HDEE C=C(C)CONC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1478908033 BJQIXCFDXDRPLG-MRXNPFEDSA-N 410.515 1.995 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1)[C@@H]1CCOC1 1503414806 ZAZZWBUVUQGPBV-MRXNPFEDSA-N 401.492 1.619 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCC(CC#N)CC1 1503692449 FBIFRUSXZNBHMO-HNNXBMFYSA-N 406.531 1.904 30 10 HDEE COc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)cc1O 1504279120 ABTJEAWHJSMBNE-QGZVFWFLSA-N 406.446 1.755 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN1CCOC[C@@H]1C 1507603253 OCHRKBMVWXUPOC-AWEZNQCLSA-N 421.343 1.836 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCN(CC)CC1 1507613311 VSCXBQFUXUBEFW-UHFFFAOYSA-N 410.522 1.771 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1507632311 YZOVQJGQNQNDDA-LSDHHAIUSA-N 405.549 1.653 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)SC)CC1 1507737683 BXTIHLMKFFWOAV-DOTOQJQBSA-N 405.568 1.889 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)CC1 1507905757 BVKSHDPUYGKCND-MRXNPFEDSA-N 400.527 1.938 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1507936106 XWBMQCVRWWKNCW-AWEZNQCLSA-N 419.498 1.813 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1508422889 FNDCHZHZRCHMAC-CABCVRRESA-N 420.514 1.707 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1509949827 COKMISATXHFAQD-CQSZACIVSA-N 417.539 1.793 30 10 HDEE CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1513466942 LAGUMZUMRDCLQE-HNNXBMFYSA-N 406.450 1.695 30 10 HDEE C=CCOc1ccc(CC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1517428986 BCOSWVFLVPGSAU-UHFFFAOYSA-N 417.506 1.989 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1521130140 QVYVLQSNJVSYOI-YOEHRIQHSA-N 414.441 1.679 30 10 HDEE CS(=O)(=O)C1CCC(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1521759657 OSLYZVUNQXMUFA-VMWRSERWSA-N 403.504 1.773 30 10 HDEE C#CCOc1ccc(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)cc1 1525139064 FXTNDZVSZYMWKO-UHFFFAOYSA-N 418.471 1.884 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1526514996 HKXDRIFAMPQGFZ-CVEARBPZSA-N 414.911 1.824 30 10 HDEE CCc1noc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 1527211049 FFKWYAOOXIYKNR-JWGURIENSA-N 421.479 1.600 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccc(C#N)cc43)C2=O)cc1 1528042843 QJTLYIDVRXVKCQ-JOCHJYFZSA-N 417.425 1.619 30 10 HDEE COC(=O)c1cccn(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c1=O 1528593420 FSEPXMGKAZDACU-UHFFFAOYSA-N 405.414 1.223 30 10 HDEE N#C[C@]1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCCOC1 1531021651 XMVPEEIYXIOLFD-QGZVFWFLSA-N 413.883 1.620 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)C[C@H](OC)CC3)cc1 1534003155 PPQQLWAIWSSIJX-OAHLLOKOSA-N 404.492 1.903 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)nc1 1534774038 MOXJWEIDIYDVIV-UHFFFAOYSA-N 420.395 1.590 30 10 HDEE Cn1cnn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1536955201 XEVJLOMQDKXWPI-RNFRBKRXSA-N 408.249 1.211 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1539031305 YSHFTDNDTQVXGN-HOTGVXAUSA-N 416.551 1.448 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1539072160 MGANQIBQLQCIHU-DLBZAZTESA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C(=O)NCC)cc1)[C@@H]1CCS(=O)(=O)C1 1539204741 CPGIKLFCFQUIER-GOSISDBHSA-N 415.519 1.011 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCS(C)(=O)=O 1539333392 CHMHMHKWDLFZBL-UHFFFAOYSA-N 402.524 1.037 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(C)cn1 1539359544 JRASPKBMDVSAHH-UHFFFAOYSA-N 402.466 1.585 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1539361767 DMINIZYDAIIRHK-NRFANRHFSA-N 408.462 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@H]1COCCO1 1539422924 NOBGIXGMUILTQR-IBGZPJMESA-N 414.506 1.975 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCOCC2(CCC2)C1 1539490565 XNVXZCRUYWSCDO-UHFFFAOYSA-N 403.552 1.887 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)(F)F 1539563500 NHTLNFZVIIVJJP-GOSISDBHSA-N 423.443 1.810 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCn1cccn1 1539613145 VYAVGAZTZYQWHB-QZTJIDSGSA-N 413.526 1.828 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCOCCS(C)(=O)=O)CC1 1539855346 UNHKYYZECVONIH-UHFFFAOYSA-N 405.524 1.482 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)CC1 1540006476 UUROVUPKPJDQBU-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1540518567 SYYLSWIRZWGLIT-UHFFFAOYSA-N 416.474 1.706 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2ccnc2C)C1 1540884834 VVOGHZFPLDKELR-RXVVDRJESA-N 416.526 1.917 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1543381024 CENZGCPSMSRWAU-UHFFFAOYSA-N 400.460 1.819 30 10 HDEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1544491762 CTDADTSUWVAGIF-GOSISDBHSA-N 422.503 1.947 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCCC1 1548175699 UEBKOUYAYSJVRT-UHFFFAOYSA-N 424.553 1.894 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C1 1554700573 BPELXCYODFVGKY-UHFFFAOYSA-N 410.478 1.291 30 10 HDEE COc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1554978775 FPZLAMYNZZDTRX-UHFFFAOYSA-N 422.445 1.705 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1555792156 GRXUBDBZYSYIOR-WMLDXEAASA-N 411.503 1.929 30 10 HDEE CSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555934760 SHUSOBVJGLSXEE-HOCLYGCPSA-N 424.596 1.110 30 10 HDEE Cn1cncc1[C@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1557698230 VFBDGHFDIBJZSE-LTWWHTJUSA-N 403.483 1.357 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)[C@H]2CCN(CC(F)(F)F)C2)c1 1557708179 MMSDKKGKRUXDIA-HNNXBMFYSA-N 417.453 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CCC2)C1 1557940419 ADPWEZNVPYFAKK-INIZCTEOSA-N 404.511 1.337 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 1561771150 SBIOGENBKDXVME-SFHVURJKSA-N 412.533 1.178 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1564964857 OVBUNKXVMJTOAD-IRXDYDNUSA-N 415.471 1.468 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN([C@@H](C(=O)OC)c2cccc(Cl)c2)CC1 1565156682 NWZQWXRBLFLAOV-QZTJIDSGSA-N 407.898 1.920 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1)C(=O)OC 1570219090 RTCCFSYLHZOLIO-WDEREUQCSA-N 404.897 1.236 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1587154332 PFMMBMIPXMMRLC-UHFFFAOYSA-N 423.535 1.204 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587614986 QCLYCTYYLFQIRW-IKGGRYGDSA-N 423.500 1.539 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C(C)C)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1588059505 OZVLSTGALVXSNF-ZWKOTPCHSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC[S@](=O)C(C)(C)C 1588159354 UHUKVXYTLKSLKD-NDEPHWFRSA-N 400.552 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1C 1588628605 LQHVXRSWIQDKFJ-CVEARBPZSA-N 415.494 1.764 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@H]2C)CC1 1588751224 JOOQFMIKGSNOMI-KNKQGSTJSA-N 417.554 1.358 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS2)CC1 1588884450 ARYDCSFMQRDAKQ-INIZCTEOSA-N 418.567 1.278 30 10 HDEE CC1(C)OB(C2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)OC1(C)C 1593778686 OQPMGFBNIAPLHE-UHFFFAOYSA-N 421.328 1.569 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1595405133 DDEAFERYUXWXSL-AWEZNQCLSA-N 406.512 1.616 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1595569498 IDVMHSWIKJLZMX-GOSISDBHSA-N 411.506 1.755 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([S@@](C)=O)CC2)C1 1595737739 HFDMOKZNSAZWEA-YMGMXPECSA-N 401.536 1.956 30 10 HDEE CCOC(=O)C1(CC(F)F)CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1607257036 WBXIDXSMGIZAKK-MSUUIHNZSA-N 413.421 1.730 30 10 HDEE C[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1612813427 BXPHYRKDEJPPAN-OAHLLOKOSA-N 420.477 1.871 30 10 HDEE Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616337115 WGUOKGYXRLMJRV-KPZWWZAWSA-N 419.484 1.912 30 10 HDEE NC(=O)CCN(CC#CCN1C(=O)c2ccccc2C1=O)[C@H]1CCOc2ccccc21 1617925974 OAPGSQACCBRKRD-FQEVSTJZSA-N 417.465 1.987 30 10 HDEE CN1CCN(C2CN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)C2)CC1 1618433376 WWBHXXVMIOAMBK-UHFFFAOYSA-N 423.477 1.444 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@H]1C 1619910286 CRZCXRAUELRORO-GOSISDBHSA-N 423.521 1.904 30 10 HDEE CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1623626858 BEOVVWQCQKVQAD-FQEVSTJZSA-N 404.467 1.819 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1624137320 HACZIXVGWJZQTQ-NWDGAFQWSA-N 405.212 1.144 30 10 HDEE N#Cc1c(CCCNC(=O)C2(CO)CCOCC2)nn(-c2ccc(F)cc2)c1N 1624379560 AZBGEGLYFBTLSO-UHFFFAOYSA-N 401.442 1.303 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@H](c3cnn(C)c3)C2)c1 1625108778 VCGOZIGPTAQMGT-HKUYNNGSSA-N 401.488 1.867 30 10 HDEE CS(=O)(=O)c1ccnc(NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1626744058 FVDUQCJXFPLGAO-MRXNPFEDSA-N 413.459 1.279 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)ccc1F 1627021608 SDVUVFJNFDFJHD-AGUYFDCRSA-N 416.496 1.128 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1631262957 ZXMAZLCKVSXTJI-IRXDYDNUSA-N 422.526 1.860 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)Cc2sc(CS(C)(=O)=O)nc2C)c1OC 1632984577 KZNOERVRCJMAMT-CYBMUJFWSA-N 423.516 1.937 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 1634799904 PGTLNWQDSMIROP-CQSZACIVSA-N 409.508 1.583 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1635415960 WHRGBZKIBGXUMS-JLDZCNIISA-N 424.505 1.857 30 10 HDEE COCc1ncc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(N)n1 1636309817 DSAQUVNLADMYCJ-GFCCVEGCSA-N 414.853 1.400 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)Cc1csc([C@@H]3CCS(=O)(=O)C3)n1)C2 1636719575 GYOVJMYZLISJIZ-SNVBAGLBSA-N 422.557 1.688 30 10 HDEE COc1ccc([C@@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)cc1OC 1637569614 QUPWAAMTBVTFCN-FQEVSTJZSA-N 409.442 1.905 30 10 HDEE C#CC[C@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C(=O)OC 1637693362 HWOOXAAFTZEXLG-AWEZNQCLSA-N 403.460 1.016 30 10 HDEE C=CCOC[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2cccc(C)c2)C1=O)C(=O)OC 1638630711 URPAORWUCMDIAC-JKSUJKDBSA-N 403.435 1.060 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 1639611301 CKXSDGYNYNGEIU-UHFFFAOYSA-N 408.461 1.855 30 10 HDEE C[C@@H](C(=O)N1CC[C@](O)(CC#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1639946812 SXIWIVOZAMLYQX-DYZYQPBXSA-N 406.236 1.311 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1640016030 MREBYUNISJXOQT-UHFFFAOYSA-N 418.357 1.985 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1640917584 HYIDOCJCVSVGDD-UHFFFAOYSA-N 418.471 1.923 30 10 HDEE C#C[C@H](NC(=O)c1cccc(NC(=O)CSc2nncn2C)c1)C1CCOCC1 1641858191 LGRWIBTVQOQJMJ-KRWDZBQOSA-N 413.503 1.704 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 1645270649 LZRXALPJCSFQJZ-LMMKCTJWSA-N 419.547 1.312 30 10 HDEE CCOC(=O)[C@@H]1CCC[C@@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1645667109 ARHYAMFUHLRZPO-IKGGRYGDSA-N 404.536 1.778 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccnn2-c2ccccc2)c1 1645673928 SYPBFIREJNUPOH-UHFFFAOYSA-N 408.483 1.756 30 10 HDEE CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)CCn1cc(C#N)c(O)nc1=O 1648100077 RDOVURSEHLYARP-LBPRGKRZSA-N 401.492 1.841 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@@H](O)c2c(C)nn(C)c2C)CCCN1C(=O)OC(C)(C)C 1648764213 XDNQPVMRRZWINO-IERDGZPVSA-N 404.511 1.980 30 10 HDEE CN(C)c1ccc2nnc(CNC(=O)c3cccc(C#N)c3Br)n2n1 1652599923 QJQAOFRKJCJKFT-UHFFFAOYSA-N 400.240 1.754 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1=O 1652920121 VCLADNZWYKKPPR-NJYVYQBISA-N 410.518 1.791 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCC#C[C@H]2CCCCO2)cc1OCC 1653541049 VSJHLLWCBGIPNT-MRXNPFEDSA-N 424.519 1.451 30 10 HDEE C#C[C@@H]1COCCN1CC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 1654691083 DONXQTQMXSOQGF-CRAIPNDOSA-N 403.866 1.845 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)nn1 1655733407 YVUALEICIPUTIR-UHFFFAOYSA-N 400.844 1.391 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H]1C(=O)OC 1656493386 NEQJCJBEBAQYIY-HRCADAONSA-N 417.462 1.224 30 10 HDEE C#CC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCCC1 1665164224 ZKAWBUFASRJPMA-MSOLQXFVSA-N 406.504 1.888 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)cc2)CC1 1665749568 CABOLQVWFKCYIM-UHFFFAOYSA-N 419.528 1.128 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 1677238885 COAMSZWECNGUQP-QGZVFWFLSA-N 400.460 1.889 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)NCC#C[C@@H]3CCCCO3)CC(=O)N2C(C)(C)C)cn1 1683992697 OWGQXUDEIAYUFK-KPFFTGBYSA-N 415.538 1.980 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)C1 1687593197 LFFVDBRUUGXQHE-OALUTQOASA-N 404.536 1.700 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1689852866 LUNJQOWKCXWYGR-KGLIPLIRSA-N 411.528 1.163 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1nccnc1C 1689950957 HWTVZFPYNVPJMA-UHFFFAOYSA-N 410.503 1.759 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC1([S@@](C)=O)CCC1 1690031379 IJAKLXSYLALUNA-GDLZYMKVSA-N 417.579 1.961 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1690059029 HIAQSHZGQMMJRJ-GJZGRUSLSA-N 405.524 1.449 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CC1(S(C)(=O)=O)CC1 1690082514 DUTYZAQXNAFCOG-UHFFFAOYSA-N 402.520 1.936 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCCCS2(=O)=O)n1 1690107791 CUJVCWPNYWDUBF-SFHVURJKSA-N 420.539 1.037 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCOC2)C1 1690228075 MRRBMHJFWOYEHH-MLGOLLRUSA-N 412.288 1.134 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1690345680 ANKGXAYBJNDFNE-RRFJBIMHSA-N 401.964 1.852 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CCCCC2)CC1 1690396558 FTIROCDNROWLEO-OAHLLOKOSA-N 411.572 1.986 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690430919 XEPBITHWZHXKFL-HZPDHXFCSA-N 415.542 1.872 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690450083 ZSUXQNHAIUCVGM-DLBZAZTESA-N 400.527 1.927 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1690523924 TWMWJDZNVMETBR-UHFFFAOYSA-N 409.494 1.775 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)CC1CC1 1690668822 KNYXMAKEWQRWQA-UHFFFAOYSA-N 421.505 1.731 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@]2(O)CCOC2)C1 1690690463 ZCYCLVCUKFKVCL-YLJYHZDGSA-N 415.450 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690715289 HNYNUFOYKPZNKV-AWEZNQCLSA-N 410.500 1.272 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@](C)=O)CC1 1692163025 TWZOCDYIUAKILP-LJAQVGFWSA-N 414.535 1.923 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1695719448 DFGRQICIAKNMOC-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CN(CC1CCOCC1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696767946 GSOCXBORCKQHAG-CZIZESTLSA-N 414.510 1.935 30 10 HDEE COCc1nc(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)cs1 1697830681 IFWVYNNMMKUUHD-KRWDZBQOSA-N 400.443 1.828 30 10 HDEE COCCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1697988155 CSTCHODMVXFYLH-XLIONFOSSA-N 412.538 1.992 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705562859 LUHBSKAZUKHISP-OXQOHEQNSA-N 418.519 1.634 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCN1CCOC[C@@H]1C 1705584715 VEVQUGXPTNEHOG-IBGZPJMESA-N 407.518 1.671 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(COC)CCC2)CC1 1705648503 UBVQVZSZYNREJO-GOSISDBHSA-N 415.538 1.565 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1705694491 RNKIWMNDCRTJOW-IAGOWNOFSA-N 411.572 1.854 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)c1nccs1 1705901305 IGSMKHDSRQLGRE-OLZOCXBDSA-N 403.512 1.228 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)[C@H](C)CC(N)=O 1705907483 OIGRJTCZMYAFEP-OAHLLOKOSA-N 409.494 1.283 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC(C)(OC)C1 1705908000 FCLJFLYOCWUPNF-UHFFFAOYSA-N 401.467 1.393 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1705928227 OGFDUMJXCVNFML-HOTGVXAUSA-N 423.583 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](CCOC)C1 1705932668 XQEGGYFHTPINLR-INIZCTEOSA-N 405.524 1.804 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC=CO2)CCOC1 1706680575 SDPKREROVFEVFX-FUHIMQAGSA-N 403.483 1.740 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCOC 1709193653 VEDHXVTWEISFME-SFHVURJKSA-N 412.494 1.870 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1710446931 BOVRCXORCREQCK-UXHICEINSA-N 402.499 1.148 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CC=CCC1 1711983065 ZTGMFACIBAFPNT-LJQANCHMSA-N 408.506 1.868 30 10 HDEE C#CCOCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C[C@H]1C 1719476555 FPNSSGKTKGSPBH-KKEPMVJESA-N 400.519 1.679 30 10 HDEE C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 1719882145 CAQGHFZANPULEY-BBPUYGCGSA-N 400.475 1.594 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1722361041 XIVQAQDXQWEDDG-INIZCTEOSA-N 406.508 1.900 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722365482 DWFKVUCASHBGNZ-GOSISDBHSA-N 401.536 1.741 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCOc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1722365922 PYDRZZKJIVGGOA-IAGOWNOFSA-N 400.504 1.780 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1722389627 KXBJHDXJOCTQGT-XMTFNYHQSA-N 421.567 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1cnn(C)n1 1722403503 UKWWDARUQFNWKH-HKUYNNGSSA-N 411.510 1.226 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)CC1 1722434443 RUBAPFPBZKYBDH-UHFFFAOYSA-N 404.503 1.780 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCS(C)(=O)=O)CC1 1722578891 DPYTUFWAFMTZRZ-UHFFFAOYSA-N 406.556 1.977 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(Cc1ccco1)C[C@@H]1CCCO1 1722697925 AKXIDTLRHPASCL-WMZOPIPTSA-N 415.494 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 1722710490 JTEMHGLVSKFUMK-OKZBNKHCSA-N 403.506 1.714 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCN(CC)[C@H](C)C1 1722728932 ZXYZDCRUVRDPLP-IAGOWNOFSA-N 411.572 1.651 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722730484 UDGLCOUOJLDWHH-HNAYVOBHSA-N 410.540 1.216 30 10 HDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1723836522 CCAUUYNYMOKFOZ-IEBWSBKVSA-N 424.553 1.715 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1730225546 AYKQLLUXUFSZIS-HXUWFJFHSA-N 414.441 1.254 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)CCO1 1731186798 SJWCSZNRPLFIFM-INIZCTEOSA-N 411.422 1.108 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCc2nccc(C(F)(F)F)n2)CCO1 1731188790 IWPTUPFGYQHOAN-CHWSQXEVSA-N 423.399 1.562 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1740600213 IZVVXSNEBPGQDC-RDJZCZTQSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740628172 OGKIZOYTKIECHS-MSOLQXFVSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1COCCO1 1740644872 XNCJSJDXWWYSAW-SFHVURJKSA-N 401.511 1.465 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1740671898 QXWRVLINNVFXBY-QAPCUYQASA-N 416.503 1.685 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1740709625 JPAFPCUDWBMYRF-UHFFFAOYSA-N 406.556 1.135 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@]1(N(C)C)CCSC1 1740723534 QFAKTZAKYBIHHE-WOJBJXKFSA-N 404.584 1.846 30 10 HDEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1740896488 VZZKJVMLQBVLOB-FQEVSTJZSA-N 415.519 1.609 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1748278839 WIZATFIFNISFFT-NZSAHSFTSA-N 424.505 1.726 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1748732381 ZIOHWEFMGLVLMN-OAHLLOKOSA-N 400.508 1.810 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1748887494 AOETYSRTEKYVIQ-SFHVURJKSA-N 410.522 1.485 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCC1 1748891749 FHUHORHCOXXRQF-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1748906969 KYXJGWKIJXZRFT-OAHLLOKOSA-N 404.515 1.887 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749494135 GZDRUTLWYKHKAW-UHFFFAOYSA-N 419.489 1.150 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1749714893 ONRTUPMFIMOBKY-QZTJIDSGSA-N 417.535 1.480 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1OCCC1(C)C 1749832235 AICUQGGZSOPYLS-MRXNPFEDSA-N 404.515 1.582 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1751278488 VSIJPUIUIKLGNO-YWZLYKJASA-N 412.498 1.455 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1760097713 JARXDCUQUQJWIG-RYUDHWBXSA-N 408.553 1.728 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1760117095 MIIVRQSUUZZLPC-HOCLYGCPSA-N 407.540 1.259 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1760237704 RXMXRWREZIUVSA-QGZVFWFLSA-N 404.540 1.567 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C2CC2)CC1 1760257167 QHPIJUJMAWVRPW-FGZHOGPDSA-N 417.554 1.235 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](F)COC)CC1 1760257911 BZDPXLHWKRZILQ-MRXNPFEDSA-N 417.485 1.702 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)CC1 1760277116 ARNCNIWEZNVPMU-UHFFFAOYSA-N 418.544 1.651 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCSC1 1760330254 WSLOPTHCTSXSRX-CJNGLKHVSA-N 403.574 1.159 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760355818 XFBDKBKGQKUSEY-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1760522121 LZCGDYBZTFVEEH-UHFFFAOYSA-N 412.542 1.512 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](OC)C1 1760522167 MWDUVHNIJLKDDG-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccnc2)C1 1760534907 IPRUGMZGGXFIAP-DOTOQJQBSA-N 420.539 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1760554165 UBKLIOUEGGRDKD-CYBMUJFWSA-N 420.495 1.345 30 10 HDEE COc1ccccc1-c1nnc(N2CCC(CC#N)CC2)n1CC(=O)N1CCOCC1 1768869350 CILSBRBWUFHRGM-UHFFFAOYSA-N 424.505 1.943 30 10 HDEE Cn1ncc(CCCn2c(CCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)n1 1769079550 GRXADHFHOIVHMV-IBGZPJMESA-N 406.494 1.553 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCO[C@@H]1C 1770189199 DWCWQMVLFSTVIC-CNTRQJEFSA-N 419.526 1.672 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CCOCC(F)F)CCO1 1771539329 UGMRAVXWXAJZDG-MRXNPFEDSA-N 407.421 1.910 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2nc(C(F)(F)F)c(C(=O)N=c3[nH][nH]cc3C#N)c2C)C1 1849945393 JWQDAJOQNXQPKL-GFCCVEGCSA-N 423.399 1.738 30 10 HDEE N#Cc1cccnc1N1CCN(CCOCCS(=O)(=O)c2ccccc2)CC1 1851363959 LWUHQJAFRDJEFU-UHFFFAOYSA-N 400.504 1.566 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)c2ccc(N3CCC(C(F)(F)F)CC3)nc2)NC1=O 1852080285 FZAMXDFFGCRZAE-UHFFFAOYSA-N 423.395 1.795 30 10 HDEE N#Cc1cnn2cc(CCCOC(=O)[C@H]3CN4CCN3CC4)c(C(F)(F)F)nc12 1852659424 WVBRGDSOPKOLRX-CQSZACIVSA-N 408.384 1.095 30 10 HDEE CN(C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1)[C@H]1CCOC1 1853032483 OMYRRUJYRFLWRN-AZUAARDMSA-N 413.499 1.695 30 10 HDEE Cn1nncc1CN(C(=O)CC#N)[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 1853489034 RZNMDISTKHOAMV-MRXNPFEDSA-N 412.885 1.633 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)CC(F)(F)F)C3=O)CC2)CC1 1853729578 ATPFMRSZNJBAHJ-OAHLLOKOSA-N 414.428 1.540 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cncc(F)c4)C(=O)C3)C2)cc1 1854214048 BBDUEIHHDAAYDR-FQEVSTJZSA-N 407.449 1.651 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)CC3CC(=O)C3)C2=O)CC1 1854745879 GHBTWCYYVGVCOI-LJQANCHMSA-N 409.490 1.352 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)cc1 1855109890 ZNPWJGWNVPISAZ-KRWDZBQOSA-N 403.460 1.723 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3F)C2)CC1=O 1855661594 JBCLYMUFYCHXKV-OAHLLOKOSA-N 409.483 1.226 30 10 HDEE Cc1cncnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856395830 LFNYGOPSBOKPKI-GOSISDBHSA-N 404.474 1.468 30 10 HDEE CN(CCC#N)[C@@H]1CCCCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1=O 1856450886 CIONLTFQCRFRBG-LJQANCHMSA-N 407.474 1.663 30 10 HDEE CCc1noc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)n1 1856838565 NAOZPMQYAFNMMF-KRWDZBQOSA-N 408.462 1.063 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)[C@H]2C)c(Cl)cc1Cl 1857071747 SFYWQKDYCSRHCK-SNVBAGLBSA-N 404.275 1.964 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857076268 CWFGJKTWEWRAIR-SJLPKXTDSA-N 417.481 1.688 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccc(C)cc2)C1)[C@H]1CCN(C)C1=O 1857105225 UKZQXWZAEGJJCE-ICSRJNTNSA-N 413.518 1.858 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1 1857360714 MGGMNHXXNDHNFH-HXUWFJFHSA-N 408.502 1.215 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 1858298514 QWFNAWFGJZHGNP-AWEZNQCLSA-N 412.427 1.598 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1861539998 WANQYZINBPWMML-GOSISDBHSA-N 401.488 1.701 30 10 HDEE C=CCN(CC=C)C(=O)c1nonc1OCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 1872674080 AJRBSZOFCHDHAT-UHFFFAOYSA-N 417.378 1.818 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1 1889492554 LSYMLFQDRCETEC-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1895891914 AVONIAUJRSPDAC-CEXWTWQISA-N 414.506 1.593 30 10 HDEE C#CCN([C@H]1CCOC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2029384926 RCZWUNCIHUQDPU-INIZCTEOSA-N 404.488 1.507 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N(CCC#N)CCC#N 2050610885 HBYWUJPMABMGAQ-SFHVURJKSA-N 406.439 1.470 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#N)cc1N 2108230294 IMLGHKFSDCOZMQ-IBGZPJMESA-N 416.434 1.907 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 2118166547 JXZYJRKXJHXRGK-XELLLNAOSA-N 408.546 1.478 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)Nc2ccc(I)cc2N)C1 2164598775 MVLXOASCJUPSKJ-VIFPVBQESA-N 406.249 1.766 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@H]1CCS(=O)(=O)C1 2180095382 RIUVNSZJZWCBGP-AVGNSLFASA-N 406.451 1.041 30 10 HDEE COC(=O)[C@H](C)CS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 2183617302 AAYQIZLSPCTEAR-LLVKDONJSA-N 403.331 1.276 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CC(F)(F)C1 2184238804 YGDONAQNMLIVIB-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCOc2ncnc(Cl)c2C#N)C1 2184524435 RUGVNHRCONRFFC-NSHDSACASA-N 416.887 1.805 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217442716 YNVYIVUYPGUUBD-HOTGVXAUSA-N 419.331 1.845 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nn(C)nc1Br 2219813513 PBWWHIPXVVFMQJ-LLVKDONJSA-N 414.304 1.843 30 10 HDEE C[C@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247857747 XYDIIXPNCNVONA-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)COC1 2247862503 BKFKSBIDACLXRX-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)o2)OC1(C)C 2248576361 JTVDUOHYPYQKRF-OAHLLOKOSA-N 415.251 1.979 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ncccc1C#N)NC(=O)OCc1ccccc1 2270507563 DPEQJIZQRPXTCH-OAHLLOKOSA-N 418.431 1.163 30 10 HDEE CCN(CCOCCO)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282345694 IQBNQLLSPFXVIH-UHFFFAOYSA-N 405.347 1.067 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1(CO)CC1 2282492341 ONQKSRKZRDUMKO-LLVKDONJSA-N 402.347 1.023 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2282498595 GVGSQQMQCLNYSF-UONOGXRCSA-N 401.359 1.875 30 10 HDEE C[C@@H]1SCCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503329 YLWIFRTVLMEENV-WCQYABFASA-N 401.363 1.282 30 10 HDEE CCc1nc(C(=O)N=[S@@](C)(=O)CCOC)c(B2OC(C)(C)C(C)(C)O2)s1 2282515167 NZSYJPDXVAMAEL-SANMLTNESA-N 402.347 1.889 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@H]3CS(C)(=O)=O)ns2)OC1(C)C 2282604709 XMSQUXSPHXCBNS-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3C[C@H](O)CCO3)sc2Cl)OC1(C)C 2282626748 DMENJYCTAUZLKS-MNOVXSKESA-N 401.721 1.970 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CO[C@@H](CN)C3)c2Cl)OC1(C)C 2282638919 UAABEQBBTDXSBQ-WDEREUQCSA-N 400.737 1.794 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](F)C[C@@H]3CN)cc2Cl)OC1(C)C 2282828346 MQTGDAZELOZGDT-VHSXEESVSA-N 424.756 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](CCO)C1 2282830586 WSLQZNOGOKKIPG-ZDUSSCGKSA-N 401.359 1.749 30 10 HDEE Cc1cc(S(=O)(=O)NCCC(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282832981 FAOOEWKCJPPIIP-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N 2282839012 XNCHFTNOXGJWFW-OCCSQVGLSA-N 400.375 1.546 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ccc(Cl)o2)n1 2282843357 MAXFUZVBBYJJSA-UHFFFAOYSA-N 401.681 1.444 30 10 HDEE C[C@@H]1CNCC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848979 VDFIKBJUUFVLTP-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855309 CAWXBLZTHZVPTP-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CCCNC(=O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858547 YSJIWLUMZCJBIG-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC(=O)NCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282865998 BSYFUIJGGQBKCD-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE CC(C)CNC(=O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882657 OZHFKVQQNSHUOW-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CC1(CC(=O)O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284405393 KCYBMMZTCMKWAC-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288894611 JZYVAGMUWVJGCU-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300271996 ORLROIFTLWFGPF-CHWSQXEVSA-N 422.335 1.751 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(CCCO2)C[C@](NCC#CBr)(C(=O)O)C1 2324773321 NMNPQSXVUGLSPW-IAGOWNOFSA-N 417.300 1.945 30 10 HDEE C=C(COCc1ccccc1)[C@H](N)[C@H](O)c1nc(Br)nn1CCOC 2328445680 RTXKZPRPUYAQOM-GJZGRUSLSA-N 411.300 1.821 30 10 HDEE CC(C)(C#C[C@]1(OCC(=O)O)CC[C@H]1NC(=O)OCc1ccccc1)S(C)(=O)=O 2339703635 RNVXOMNPWABHBO-OXQOHEQNSA-N 423.487 1.742 30 10 HDEE C#CCOCCOCCNC1(C(=O)O)CCN(C(=O)OCc2ccccc2)CC1 2346435589 BBILYZFBTIEDFF-UHFFFAOYSA-N 404.463 1.498 30 10 HDEE C#C[C@]1(O)CCN([C@]2(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc3ccccc3)C2)C1 2346595426 KGMTYIZROGVPGW-YUXAGFNASA-N 400.475 1.947 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365210099 JEIALVBSSBUVLV-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C1(NC(=O)OC(C)(C)C)CC1 2365210133 JLBCCYIBJLGTJL-CABCVRRESA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367788406 PCFCOFLKWZLJML-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F 2367789201 QWTAIJCJSKOPRR-IHRRRGAJSA-N 406.495 1.951 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367809118 KAVKGSOMJWJJSL-VKJFTORMSA-N 400.541 1.306 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 2367812328 RUKVOOGIYHOFOP-JKSUJKDBSA-N 402.557 1.553 30 10 HDEE Cc1cccc([C@H](C#CC2(S(C)(=O)=O)CC2)NN)c1I 2367846571 WIKHYLAZRZMDTD-LBPRGKRZSA-N 404.273 1.685 30 10 HDEE CC1(C)[C@@H](N)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2380428296 OKANBJMXQSEYPE-ZDUSSCGKSA-N 400.375 1.689 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 27903433 RLTAPCAQHLQZQJ-FQEVSTJZSA-N 411.550 1.858 30 10 HDEE Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1O)n2C[C@@H](O)c1ccccc1 38169081 LQXXIZHXQMDZKN-CNPYVQQSSA-N 420.429 1.309 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(CS(C)(=O)=O)cc3)cc2C1=O 55822034 WMSSUVDXSZZFQC-UHFFFAOYSA-N 412.467 1.943 30 10 HDEE C/C(=N/Nc1nc(SCC(=O)Nc2nncs2)n[nH]1)c1ccc2c(c1)OCO2 59016564 NZYBKLHZMAPTOC-UWVJOHFNSA-N 418.464 1.952 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(C2CC2)nc(SC)c1C#N 428075433 KCUKZDORICDSKG-WDEREUQCSA-N 404.492 1.739 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CSCc1ccc(C#N)cc1 439926671 WSWDDFRLXOTZPR-LMSBXDPUSA-N 402.472 1.743 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 460389954 ROOLKRAAXAYQHP-KBPBESRZSA-N 401.558 1.129 30 10 HDEE COC(=O)c1cn(C2CN(C(=O)c3ccc(Oc4ccc(C#N)cn4)cc3)C2)nn1 500510572 ABEODMXOLVQZPE-UHFFFAOYSA-N 404.386 1.821 30 10 HDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 508505008 LRDRAAABDBOETG-UHFFFAOYSA-N 421.505 1.484 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@]3(CCCOC3)C2)CC1 510641916 WNNKPKYNIHXDFE-YLJYHZDGSA-N 404.536 1.338 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCn4c(nnc4C(F)(F)F)C3)cc2C1=O 523516808 ZAFWFRMUPPONHY-UHFFFAOYSA-N 405.336 1.735 30 10 HDEE CN(CC(=O)NC1(C#N)CCC1)[C@H]1CCCC[C@H]1N(C)CC(=O)NC1(C#N)CCC1 527377878 YGLHUXHGCQWZJZ-HDICACEKSA-N 414.554 1.286 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CC1 538793304 BITBLXZTJOKQMV-UHFFFAOYSA-N 408.543 1.516 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2C[C@H]2CCCO2)cn1 555410958 KMXXTYLVBZEODL-GOSISDBHSA-N 419.493 1.451 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H](c3ccnc(N)n3)C2)c1 555945761 LWAPWUFMKFAHKX-HNNXBMFYSA-N 401.492 1.543 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 569207290 BVVRYHHPAWXKFA-KRWDZBQOSA-N 420.535 1.925 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 571007408 KHDYBDWNEVAEIB-UONOGXRCSA-N 401.558 1.129 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 576370243 KWLATIYUXJBZTK-IBGZPJMESA-N 407.470 1.957 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccnc(OC3CCOCC3)c2)c(F)c1 586862746 BDYHHWRVERDYHX-UHFFFAOYSA-N 412.421 1.583 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCC1 589230247 GHRFCMJQYZCRPY-KRWDZBQOSA-N 423.510 1.456 30 10 HDEE CN(C)CCCNS(=O)(=O)c1cccc(-c2noc(-c3ccc(C#N)nc3)n2)c1 612906094 WLLKPSUZTVLDFO-UHFFFAOYSA-N 412.475 1.900 30 10 HDEE CC1(C)OB(c2ccc(I)cc2S(N)(=O)=O)OC1(C)C 694984768 JENCKPZATUXEEW-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 730141180 NTKYODBHBPDBJK-INIZCTEOSA-N 410.515 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1 732144514 AENRWGKDZWHOQD-OAHLLOKOSA-N 409.508 1.890 30 10 HDEE C[C@@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCOCC2)cc1 732455002 ABAMOJUKZMCRJQ-FZFLATATSA-N 413.478 1.410 30 10 HDEE COc1cc(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c([N+](=O)[O-])cc1OC 732700637 KXGODLXKOKBLPB-HNNXBMFYSA-N 403.439 1.536 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cn1 732706230 LJWZNDJQNXVOEW-HNNXBMFYSA-N 414.466 1.566 30 10 HDEE C=C(COC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@H](C)O)C(=O)OCC 734022695 IGVLHKBSRZHMSZ-KBXCAEBGSA-N 421.471 1.530 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=S)Nc2ccccc2C#N)c1 735417491 DHYVGMCMWNQODU-UHFFFAOYSA-N 404.517 1.970 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(C(=O)N2CCOCC2)c1 742397864 XKAYSUOUQGYMEU-UHFFFAOYSA-N 400.460 1.290 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)N[C@@](C)(c2cccc(N3CCOC3=O)c2)C1=O)C1CC1 753986782 BWBRSGFOLAJGMG-SZNDQCEHSA-N 411.462 1.992 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755578053 YYNMDVXTDWIAMG-LLVKDONJSA-N 405.398 1.756 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 758772118 PNURREMQRBIQOV-DLBZAZTESA-N 419.526 1.789 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)cc1 759871255 YFHUDYSZZMBRDZ-QGZVFWFLSA-N 406.504 1.935 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 760511148 UPOGXYQCUFTGKP-HXUWFJFHSA-N 424.545 1.330 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC[C@]2(CCO)CCOC2)cc1 762214575 QDWCJVHBWSVSRZ-WXNAFCGMSA-N 424.523 1.410 30 10 HDEE CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)CC1 768067050 CXRIEDIBPDNOQR-NRFANRHFSA-N 424.549 1.354 30 10 HDEE COCCOCCS(=O)(=O)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 768219756 OLKUXDJWDHSBAJ-UHFFFAOYSA-N 405.432 1.468 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 774031945 XZUWRZPZEAWIOH-OAHLLOKOSA-N 411.480 1.434 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=CCCc3ccc(C#N)cc3)nc2)CC1 774340186 BOZSENVMMBMWGV-UHFFFAOYSA-N 412.519 1.920 30 10 HDEE COc1ccc(CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 780933963 DNOHCFGHFQQCFR-QUCCMNQESA-N 414.483 1.816 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)C1(c3ccc(C#N)cc3)CC1)C2=O 781401984 WBBGIGRZNPKLMT-UHFFFAOYSA-N 424.457 1.665 30 10 HDEE C[C@@H](NC(=O)CNC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 784615221 UPNUVLLYZHACIQ-ZUOKHONESA-N 413.405 1.268 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n1 788819351 ZEIDKGAXUNOLSY-UHFFFAOYSA-N 405.458 1.461 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc(Cc3ccccc3)no2)n1 788919028 YFPUDPDVCJQLRW-UHFFFAOYSA-N 408.462 1.848 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)ccc1F 796152052 QXLRELXNVZWUJL-LSDHHAIUSA-N 411.455 1.756 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)NC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796424084 KDEYRWZEUJEXJA-WMLDXEAASA-N 401.467 1.214 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OCC(=O)NC)cc2C)n1 797679785 CYNOBHADBCTVSS-UHFFFAOYSA-N 413.478 1.630 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1ccc(OCc2ccccc2)cc1)n1cnc(C#N)n1 798855870 VMONJKZMFCHUNO-CQSZACIVSA-N 411.443 1.795 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCS(=O)CC1 802581622 WUCJEAOZRJJJRR-UHFFFAOYSA-N 403.508 1.849 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O 804455541 IJXKQMIKTIEBKY-QFUCXCTJSA-N 414.527 1.774 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 805092448 GPRHUXOGBSVRCH-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE Cn1nccc1C1=CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC1 807109099 AOBZFNDCKKVTLQ-CVEARBPZSA-N 400.483 1.978 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CC)[C@H]1CCS(=O)(=O)C1 812028728 NUWJAELDNRINJS-HNNXBMFYSA-N 404.492 1.609 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)CC1 849127058 OMDDHNIGUKZBAC-SBFWRKJZSA-N 406.574 1.606 30 10 HDEE N#CC1(NC(=O)CN2CCN(CC(=O)N3CCCCCC3)CC2)CCCCCC1 1087873947 PXGOSDFNSFFKML-UHFFFAOYSA-N 403.571 1.739 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(-c3ccc(Cl)s3)nn2)C1=O 1130704915 IZSVREVAJJEGBV-UHFFFAOYSA-N 405.823 1.774 30 10 HDEE COCc1nnc2n1CCN(C(=O)[C@@H]1CC(=O)N(c3ccc(C#N)c(Cl)c3)C1)C2 1130811419 ZPKCNKBTQLIKFF-CYBMUJFWSA-N 414.853 1.345 30 10 HDEE N#CCc1cccc(NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)n1 1132796735 BJVBJFFKPCTAIX-UHFFFAOYSA-N 409.471 1.947 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl)C1CCCCC1 1136512738 HUIJOLUTXAOTAS-UHFFFAOYSA-N 411.911 1.512 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1138991624 SLGJPBRDTPQILU-LSDHHAIUSA-N 414.549 1.178 30 10 HDEE C=C(C)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1153509777 KPEXHWJFVCFFHH-DLBZAZTESA-N 412.446 1.777 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1)C(=O)OC(C)(C)C 1155585050 RPIIGFOYTRRJTJ-KRWDZBQOSA-N 415.490 1.653 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1159761200 BSNYWENNEVMXQP-QWRGUYRKSA-N 421.338 1.022 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3ccc(S(C)(=O)=O)cc3N)CC2)c1C#N 1160237016 RCTMWVVGHLODEC-UHFFFAOYSA-N 405.505 1.271 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]2C)cc1OC 1161017244 SXXAGTUUHJNCTG-UKRRQHHQSA-N 422.503 1.843 30 10 HDEE CC(C)(C)OC(=O)CC1(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1164530376 HSEFVEFFIVDDBR-UHFFFAOYSA-N 407.492 1.496 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1165490011 RSNKAJDRUUBWCY-GFCCVEGCSA-N 410.215 2.000 30 10 HDEE C=CCOc1c(Cl)cc(CN[C@H]2CC(=O)N(CCN3CCOCC3)C2)cc1OC 1177896432 CEGDMRCBLQISTB-KRWDZBQOSA-N 423.941 1.936 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1179869911 VIKOOBNELURAKA-UHFFFAOYSA-N 405.501 1.959 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCC#C[C@@H]1CCCCO1 1180363502 XAENABWYTCIQGH-CWVYHPPDSA-N 412.408 1.661 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CCC1 1198033803 NOJHJIKTPOZVPZ-UHFFFAOYSA-N 411.474 1.333 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCc2ccc(C#N)c(F)c2)c(C(=O)OC)s1 1212161666 GIQYYEBLQQPPTK-UHFFFAOYSA-N 412.420 1.811 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 1212172216 YZPWQYQLYZDWOR-SFHVURJKSA-N 417.462 1.825 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 1271884363 IBHRXZICKHBGSD-UHFFFAOYSA-N 407.488 1.671 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1286291725 XZZHOSKJJFPPQG-OAHLLOKOSA-N 406.490 1.955 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1286554111 GOOQENGHDBWRKS-ULQDDVLXSA-N 424.567 1.777 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1286621655 HDZDNGQRUDQKFM-DZGCQCFKSA-N 412.922 1.795 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286688847 ZNDMIDVPJCVRIG-CABCVRRESA-N 415.498 1.058 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1286825749 WPAFTYZENDOEDJ-JKSUJKDBSA-N 418.567 1.681 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)c1 1288175497 UIMXTDHYSCTYQM-HPCJDURASA-N 407.348 1.440 30 10 HDEE CCCN1CCC(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1294634376 SWGRYDBAVJYZEN-KRWDZBQOSA-N 403.531 1.267 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 1295982359 GXACDFYCSAJEMF-GOSISDBHSA-N 401.488 1.480 30 10 HDEE Cc1ccc(C(=O)N2CC(C3CS(=O)(=O)C3)C2)cc1B1OC(C)(C)C(C)(C)O1 1298244398 WYJVLKKMUMDRCT-UHFFFAOYSA-N 405.325 1.411 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1Cc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1300487682 LDIQINTWPAVVTO-GOSISDBHSA-N 424.530 1.662 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300602910 VJEATOPHWKIVDB-ZACQAIPSSA-N 410.588 1.468 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)CC1 1300701516 VXSQUYQASLRTLR-UHFFFAOYSA-N 412.448 1.194 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1300777834 DXIBDSUQRXXDBQ-FXAWDEMLSA-N 421.567 1.402 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1301152232 WTGMVEUHSILKHT-HOTGVXAUSA-N 421.567 1.594 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C)C1 1301584716 CNDLCWVQQXDDCI-AWEZNQCLSA-N 421.523 1.843 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301611373 BQILTBSVYPORFL-ZWKOTPCHSA-N 407.584 1.860 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NCCCC)CC1 1301908811 CREKVPPNSZPDJO-KRWDZBQOSA-N 408.543 1.354 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1301951502 AGKHBRADABQYMO-QGZVFWFLSA-N 416.574 1.136 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(NC(=O)c4ccccc4)cc3)C2)c(=O)nc1O 1305590407 QMEZKJKQDJRSGO-UHFFFAOYSA-N 415.409 1.770 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CC1 1312666796 WQHSRISZIHFLSS-SFHVURJKSA-N 417.506 1.917 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)C1 1315094660 GOJWHJMSEBGIDC-QGZVFWFLSA-N 406.450 1.498 30 10 HDEE COCCOCCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316261434 VMSYDDPWWSZDAN-UHFFFAOYSA-N 423.477 1.861 30 10 HDEE CSCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1316459402 KWYBDMNJAUTNGN-DOMZBBRYSA-N 404.537 1.473 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 1320430873 ZYHBLGBYJUAROH-MRXNPFEDSA-N 415.450 1.376 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Br)c(C=O)n2C)n1 1320976522 WKVTZWDVHIRVLZ-UHFFFAOYSA-N 407.268 1.719 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn3c2C[C@H](C)CC3)c1 1357766207 AELKPKVNKVQFPH-QGZVFWFLSA-N 406.486 1.952 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1358874298 VORVYMDDBIHEKI-IIBYNOLFSA-N 422.493 1.412 30 10 HDEE C#CCN(c1nnc(C)n1CCc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1358956952 MZHLXGYFAISYBB-FQEVSTJZSA-N 424.530 1.642 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1358966942 ABQAURXXMIZYFI-BRWVUGGUSA-N 408.524 1.183 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1358967596 NPVVLQDGHOMTOU-IAGOWNOFSA-N 410.540 1.571 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@H]21 1359000532 YDGAONSJXLYWQH-JEDBISTDSA-N 413.547 1.934 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1359024118 FOTCNDGBZJMTRN-KRWDZBQOSA-N 418.519 1.215 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCS(=O)(=O)C1 1359025944 DNJJHMDJQUYKHV-INIZCTEOSA-N 408.549 1.451 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1359037621 QFUVCAQRFDSHPO-JXFKEZNVSA-N 401.536 1.226 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 1359132367 VUFPPFHGXLSOFJ-CABCVRRESA-N 418.523 1.856 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C[C@H]1CCOC1)C1CC1 1359142218 CJJZGQPEELNMLK-QWHCGFSZSA-N 403.936 1.646 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1359474188 OMKMXEIJKPIRBC-GXTWGEPZSA-N 408.915 1.873 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1359648938 DUBWRODTDJJNNG-IBGZPJMESA-N 420.539 1.209 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCCN(O)C2=O)cc(C)c1OCC(=O)N1CCCCC1 1450275688 YUQAJHIRBYMJQB-QGZVFWFLSA-N 403.479 1.805 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1456319669 MJNIDUUUNGAHEL-VIFPVBQESA-N 401.370 1.616 30 10 HDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Cl)cc1Cl 1459192372 XPHAPUJMESDMCE-SNVBAGLBSA-N 411.245 1.058 30 10 HDEE N#Cc1c(NC(=O)CN2CCC3(CC2)C[C@@H](O)CNC3=O)sc2c1CCCCC2 1460882706 YYBKOLQDXZPPFD-CQSZACIVSA-N 416.547 1.790 30 10 HDEE C=CCn1cc(CNC(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)nn1 1461057947 KGOOWLBDOQGSCP-UHFFFAOYSA-N 417.516 1.850 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 1463792060 BQMRFMOEQBEKDE-PMACEKPBSA-N 410.449 1.325 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 1464192563 AQVGVBPDRSQZPF-UAGQMJEPSA-N 421.519 1.889 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OC 1464259216 ZKFRBMWISRQACO-MRXNPFEDSA-N 422.503 1.736 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1468182160 FCWROAUKYXWZIC-CVEARBPZSA-N 420.485 1.868 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)cc1 1468258977 WRVFMIPLMLWKEN-OAHLLOKOSA-N 415.475 1.588 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cn[nH]c3)CC2)cc1 1469181580 GXJHHTVGURCMHZ-UHFFFAOYSA-N 401.492 1.445 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CCN(CCN(C)C)C(=O)C2)cc1C 1469772152 SMDARABYLHCWRI-UHFFFAOYSA-N 422.533 1.927 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCCCO)C1 1505319104 UYPRNGHPYRXSOZ-HXUWFJFHSA-N 413.457 1.358 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1507533343 JVSIDSFAQNTLBS-WBVHZDCISA-N 402.543 1.577 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1conc1COC 1507610124 CEFUNDUSRWHUIA-UHFFFAOYSA-N 419.445 1.444 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1507634185 MACDYYTWYFZDRG-RXVVDRJESA-N 416.547 1.765 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1 1507641272 BSLPRWOAPBUMIU-QFIPXVFZSA-N 408.506 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1507660362 RRBMIHAKUJKBKE-INIZCTEOSA-N 400.508 1.103 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1507695045 TWBVOHZZCWBHJD-UHFFFAOYSA-N 407.478 1.570 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1 1507711459 UYCMWUJCUHHMAU-MSOLQXFVSA-N 424.567 1.616 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cc(CO)nn1 1507983482 WGYAXCHJLXUQSC-UHFFFAOYSA-N 421.465 1.390 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1517498169 FGXLBPBLWSIUMU-AVRDEDQJSA-N 424.505 1.585 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1nnn(C)n1 1518004497 HAEFTBOAVGWKDL-LLVKDONJSA-N 401.862 1.775 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)CCO1 1521128656 GGXCUPRSMFQXGE-CQSZACIVSA-N 401.858 1.248 30 10 HDEE Cc1c(C(=O)N[C@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)cnn1CCC#N 1524935046 WCPPFZKBKSAMNR-SFHVURJKSA-N 412.498 1.056 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)ccc1OC 1531040724 KYKCLVNHTNPUGP-SROCRSHHSA-N 400.431 1.713 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)OCC 1531936718 JJJJQUWLFRDLHQ-NSHDSACASA-N 409.782 1.381 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCc1ccco1 1538976830 PXBQLMMWTGBGEU-IERDGZPVSA-N 415.494 1.686 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1539142606 VJNLJASOJFOAAH-UHFFFAOYSA-N 418.505 1.829 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539363664 UCYWSPRZRAWKOV-INIZCTEOSA-N 402.524 1.390 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N(C)C 1539400030 YADAOBHMDWWENJ-UHFFFAOYSA-N 400.439 1.418 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCO[C@H]2CCCC[C@@H]2C)CC1 1539428220 NXLOPGOLENNUFT-OALUTQOASA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1539491443 QPEKDOUHOVQPGB-UHFFFAOYSA-N 411.539 1.532 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1539704543 DWPAXVOHDNZFGP-MRXNPFEDSA-N 405.528 1.264 30 10 HDEE CC(C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1541287768 FJFPJMPVNZCTLN-UHFFFAOYSA-N 401.515 1.303 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2)C1=O)C(=O)OC(C)(C)C 1543547010 ZYNXNYDGOMELFJ-GOSISDBHSA-N 415.490 1.783 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCCNc3ncccc3C#N)=NO2)C1 1544054495 ATZJYFZYIJSAMC-HXUWFJFHSA-N 414.466 1.637 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1CC1C[C@H](C)O[C@@H](C)C1 1555554936 CWIXOFWVNKUFMZ-HOTGVXAUSA-N 406.531 1.986 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N(CCC#N)CC2CC2)CCC1 1555792193 HRWFPTBHABCDPT-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 1557384410 OLNPMCDTOKDBLN-IBGZPJMESA-N 404.426 1.322 30 10 HDEE N#C[C@H]1CN(C(=O)Cn2nc(Br)c(Br)n2)CCN1C1CC1 1557940605 BSMMFBBDKFXTNP-VIFPVBQESA-N 418.093 1.002 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CSCc1ccc(C#N)cc1 1584123564 AUZISUOHKYREFM-UHFFFAOYSA-N 424.526 1.682 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1 1586822942 CTOXFJALKWQFRO-APWZRJJASA-N 409.467 1.697 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1587638074 BELVGLSLWLQZPK-WFASDCNBSA-N 407.565 1.954 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cnn(Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1588035580 VQIKFONIYCDTNW-FQEVSTJZSA-N 424.530 1.506 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1588065209 VZIWKXUIPFGTJE-YESZJQIVSA-N 403.483 1.421 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1588084813 XDXVXPCZMZHURB-GNZRSQJKSA-N 421.567 1.556 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 1588139522 OIIBSMLLNLDKLU-ZWKOTPCHSA-N 404.536 1.602 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN(C)CC(F)(F)F)CC1 1588806325 MVHKZJNNMSZTAW-UHFFFAOYSA-N 422.459 1.375 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1593740569 CFISGPUWUUTSON-GQIGUUNPSA-N 405.499 1.206 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1594803345 SKEDTUGRJRKYBC-UHFFFAOYSA-N 413.526 1.143 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1CC1(O)CCS(=O)(=O)CC1 1595076080 SQKJMUXMLGWLQE-UHFFFAOYSA-N 420.535 1.727 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1607586892 XYDDPROEOOCJKN-CZUORRHYSA-N 401.410 1.938 30 10 HDEE N#C[C@]1(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCOC1 1611035761 KXKUQLVFXYXRIC-MRXNPFEDSA-N 417.940 1.945 30 10 HDEE CC1CCN(C(=S)SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1611160299 RQCRHSQOTRRILG-BBRMVZONSA-N 401.579 1.133 30 10 HDEE CCOCCn1c([C@H](C)OCCOC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1617168277 VABTVAMNVVNRKA-AWEZNQCLSA-N 416.482 1.574 30 10 HDEE CN(CC1CC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1618059289 QHSZDZWSLRTCPG-VXPUYCOJSA-N 407.478 1.637 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)CCS2(=O)=O 1618581007 KJUQGOCWBALNFI-MGIDEDSVSA-N 420.487 1.341 30 10 HDEE COCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1619918407 FEKCYQQXHOZHQW-UHFFFAOYSA-N 418.505 1.965 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)Cc2ncsc2Br)CC1 1622067150 BQRRHUVXIVQMNH-UHFFFAOYSA-N 406.327 1.197 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C1=O 1623369094 AKSBLQIHNGTDEA-GJZGRUSLSA-N 409.512 1.110 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)s1 1623991225 XVFRFLCGFDRSCZ-QGZVFWFLSA-N 421.500 1.618 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1626206066 WAOHQRYZMCPJHX-MRXNPFEDSA-N 404.513 1.743 30 10 HDEE CC(C)(C)OC(=O)CC1(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CCOCC1 1629364221 IYVAEYHURGIDJA-ISLYRVAYSA-N 407.467 1.300 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1F 1629433806 NYXAHGYSWOHQQR-UHFFFAOYSA-N 421.425 1.730 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(=O)n(C)cn2)c1 1630498423 PHGUPOPHDHHHFP-OQKWZONESA-N 417.491 1.626 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](O)C(F)(F)C(F)(F)F 1633150876 SXOBPHVZQLRXMM-LBPRGKRZSA-N 405.327 1.825 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC[C@@H](C#N)C1 1634196669 GCQPRMYXJSRKIO-KXBFYZLASA-N 421.519 1.913 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)c(Cl)c1 1635327933 FKADGMYDHZWKGJ-MAUKXSAKSA-N 412.881 1.290 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2=O)cc1 1635976628 LIHDUIHJQWCPLW-QIODPRHWSA-N 411.389 1.915 30 10 HDEE C#CC[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)OC 1637692951 AUENABPZVASBJZ-GOSISDBHSA-N 418.446 1.850 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@H](C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 1638010559 GBHLOJFCYQUCGX-HOTGVXAUSA-N 418.498 1.461 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CN(C(=O)NCc3nc(C#N)cs3)CCO2)C1 1638703292 PFNHMARTCCCEMV-GOSISDBHSA-N 407.496 1.936 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)C1 1640218153 CFHKZLOPVOQUMO-NNWRFLSQSA-N 419.485 1.589 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1640864515 YPFLQXUPHCHMPF-ZBFHGGJFSA-N 402.447 1.825 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)c1 1641018574 MZLGXLPFHVYCEY-OAHLLOKOSA-N 407.536 1.905 30 10 HDEE CC(C)(C)N1CC[C@@H](CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1641338033 YSVBWVKGPAQTDI-HNNXBMFYSA-N 406.552 1.742 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c1=O 1643324168 WLGDMZNTKPMBGK-RNODOKPDSA-N 403.483 1.467 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([C@H](F)C(=O)OCC)C2)ccc1F 1643843713 JKSHOAQPTMBBSC-BBRMVZONSA-N 416.446 1.653 30 10 HDEE C#CCNC(=O)CCN(CC)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1643852614 FBWAWKKWLMZVEU-KRWDZBQOSA-N 408.543 1.306 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@@H](C(F)(F)F)CC2)s1 1643982454 SOXLUOAVGHXGAT-GFCCVEGCSA-N 412.455 1.935 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)cc1 1644597356 XVGZVJOKNAJFIK-ZDUSSCGKSA-N 406.382 1.212 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3Cc4cnccc4NC3=O)ccc2c1=O 1644732077 JKDXOOYZJOYEKF-INIZCTEOSA-N 407.455 1.559 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)cc21 1645807021 PBQNKVWDMFUENS-CYBMUJFWSA-N 416.507 1.878 30 10 HDEE CNC(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1649678429 JZXIFEPIPINZBG-SOUVJXGZSA-N 419.530 1.781 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)NCc3cncc(C#N)c3)ccc2c1=O 1652271670 VOFCOZSSSZUKJC-UHFFFAOYSA-N 409.471 1.918 30 10 HDEE CC(C)(C)N(Cc1cccc(F)c1)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660446440 BESBYURUIWVOKF-OXJNMPFZSA-N 407.511 1.823 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(OC)cc2C(=O)OC)c1 1661503961 IYXOZANQVUFTBD-UHFFFAOYSA-N 402.428 1.380 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1665325861 LELYUOBCBUUMPT-LLVKDONJSA-N 424.338 1.559 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 1665418053 GDLDJFDVTQZRLM-UHFFFAOYSA-N 409.508 1.941 30 10 HDEE C#CCSCCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1667412261 DSJAFAGJXMTSKH-IAGOWNOFSA-N 412.533 1.308 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1672652506 IVLMGWHJFVREAC-UHFFFAOYSA-N 415.538 1.436 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OC(F)F)CC1 1674955958 LKXAIRFCJICIQA-UHFFFAOYSA-N 406.386 1.044 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1682775216 WLCQTECJGSMPKB-UHFFFAOYSA-N 421.441 1.713 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN1Cc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1682849372 NGIGFHINTJPJRF-QZTJIDSGSA-N 405.520 1.101 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCCCN3CCCS3(=O)=O)CC2)c1 1683536988 NUNBWIPTYLMWKW-UHFFFAOYSA-N 419.551 1.247 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCc1cc(C#N)ccc1F 1685113659 MKJPXNIGGROSOG-UHFFFAOYSA-N 411.437 1.271 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1689910378 FJNZEJDKWJXCBC-OAHLLOKOSA-N 422.449 1.608 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1689928201 JMXRBJODDQKUES-MSOLQXFVSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1c(C)nc2ccccc21 1689966485 SSIARPSREGSWNY-MRXNPFEDSA-N 412.519 1.608 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1689988249 LOVGLPXPEJIQOR-BZSNNMDCSA-N 406.552 1.843 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1689991833 DFPXRAJUOQGIEO-OAHLLOKOSA-N 407.565 1.917 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690124811 VAYNUTFOKKQGJT-FQEVSTJZSA-N 415.630 1.648 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccs2)N(C)C)CC1 1690137964 NLRAPJUPCBNURH-KRWDZBQOSA-N 400.552 1.917 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCC(CC(=O)N2CCN(CC)CC2)CC1 1690497772 WMCKWZIOCPPRJY-UHFFFAOYSA-N 418.586 1.950 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1690731171 BSLBPZJTKJJSJD-IXDOHACOSA-N 409.556 1.403 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692852394 IZTMIJPMOWGBTR-FRQCXROJSA-N 407.540 1.737 30 10 HDEE Cc1cc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n(C)n1 1693405326 IVOSGPFWELKKBT-PMACEKPBSA-N 417.489 1.851 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)C(C)(C)C 1698230343 CBDFZFGLFJJZRT-JYJNAYRXSA-N 406.531 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1705485484 KDEKNBIYIBPNKX-CVEARBPZSA-N 421.509 1.684 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CC(C)(C)O)CC1 1705636186 ARKNLCJGTYIYIL-UHFFFAOYSA-N 413.522 1.879 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ncc(CC)s2)CC1 1705639184 IIVZWHKNBFBXAK-MRXNPFEDSA-N 400.552 1.995 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1705639801 WUFQGBYBRIXXAD-KRWDZBQOSA-N 418.542 1.452 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)C1 1705803371 OOANAJDCARBZCH-UHFFFAOYSA-N 407.482 1.556 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705811354 WLSPQSZJCMGELJ-QGZVFWFLSA-N 422.493 1.994 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705821014 ICARNUVFMCZWJU-UHFFFAOYSA-N 423.521 1.157 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1705863061 GUYVXTCOYNLIIU-OAQYLSRUSA-N 416.547 1.973 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)NC)CC1 1705907545 PTUYDYAGFQGACG-UHFFFAOYSA-N 410.522 1.328 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@@H](C(F)(F)F)O1 1708199903 FAQCALYYQQHMTL-SWHYSGLUSA-N 424.383 1.898 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1709829055 CFOACPBFFBLWKB-ZWKOTPCHSA-N 421.505 1.448 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712168889 LEGKFXVLGNEBRS-HKUYNNGSSA-N 409.469 1.978 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CC[C@]2(CCOC2)O1 1712459780 TXSSFMIXBOFZCE-MBOZVWFJSA-N 405.499 1.834 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1722276535 JBNRWFBAHWOEGK-ZNMIVQPWSA-N 423.514 1.953 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)Cc1ccon1 1722282654 BKBNWFISEFXESQ-CYBMUJFWSA-N 418.479 1.412 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1722358874 GNAYLMNPGFJYRU-CABCVRRESA-N 410.471 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1722393626 GNDDWIVTJVHANX-XUTLUUPISA-N 415.457 1.329 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)C)C2)CC1 1722436677 KQSZYNXIIAKQQY-OALUTQOASA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722437429 SWRRDNZOWNZHGQ-LJQANCHMSA-N 423.521 1.329 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722604293 XMLQBYUPDUOISS-MSOLQXFVSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1722700332 FOEQUHHJTWURPR-SFHVURJKSA-N 410.522 1.698 30 10 HDEE CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1729158192 VYGVVJJWOSEKLF-QZTJIDSGSA-N 410.478 1.715 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740572068 ZKOJNBPJPHHSMZ-UHFFFAOYSA-N 402.524 1.942 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622884 KFRQAYPLEGKYLA-SFHVURJKSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)NC1CCCCC1 1740629464 ODGPARGAWQVWGZ-UHFFFAOYSA-N 412.538 1.718 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCN(C)S(=O)(=O)CC 1740637403 ANCXEPHFBRBHJT-QGZVFWFLSA-N 407.540 1.264 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1740639970 HLYMAGXKZYGKCZ-HNNXBMFYSA-N 401.492 1.160 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C2CC2)C1=O 1740675894 KXQWRAXIVTZWTB-WJPUGNRLSA-N 401.511 1.473 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCCCO)CC1 1740696621 ZAXFUYIOYVKLGY-FQEVSTJZSA-N 411.506 1.708 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cnn(C)c2)CC1 1740704446 ODEGJUABERPCJE-UHFFFAOYSA-N 406.494 1.031 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCN(C)c1ccccc1 1740957390 MCOODXQOMMBGHG-UHFFFAOYSA-N 408.510 1.553 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H]1COCCO1 1741196089 JJCCQFRWEBPHBK-ZWKOTPCHSA-N 402.543 1.849 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1741983522 CDXBPRUDKPVNJV-DNVCBOLYSA-N 400.508 1.905 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1748638716 UVZQTVXANCNFJN-UONOGXRCSA-N 400.449 1.758 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)(C)C 1748784476 NPSAYNGKYBYQMH-UHFFFAOYSA-N 421.505 1.566 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCNC(=O)C2CCC2)CC1 1748987441 XTZYICZMAYJWIC-UHFFFAOYSA-N 421.549 1.710 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1749189796 SUVSNBNCFLVUIX-MNVSYLFESA-N 402.499 1.909 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749652830 UGBDXLZPKXIDPQ-FDDCHVKYSA-N 422.533 1.839 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H](OC)[C@H](OC)C1 1749676533 UJMDNBFDCMVLPS-HDICACEKSA-N 415.494 1.030 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cn2)C1 1749713822 ZAZJXSVGHZLYCF-WMLDXEAASA-N 421.498 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@@H](COC)C2)nnc1C(C)(C)C 1749740776 YQPLHGQOWBXDHD-HUUCEWRRSA-N 400.545 1.417 30 10 HDEE CC(C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1750811151 VCCNWLNWCXVUFB-YJBOKZPZSA-N 413.519 1.685 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccoc1 1757727081 BIJMPCWWPIBDBY-QSUVVDIXSA-N 401.463 1.239 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccccc1C)[C@H]1CCS(=O)(=O)C1 1760181619 YJZRFOHPEXBISD-SFHVURJKSA-N 402.520 1.991 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CCC1 1760199735 HIMQGVAETJKNAQ-UHFFFAOYSA-N 412.515 1.994 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)N(C)C 1760206261 VAYGDSUBAQBAFL-MSOLQXFVSA-N 405.568 1.229 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1CCS(=O)(=O)CC1 1760247372 ZBKPZMQXOLHPNU-UHFFFAOYSA-N 406.508 1.757 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1C[C@]1(N2CCOCC2)CCSC1 1760250306 FODAJGXACJDRKB-OAQYLSRUSA-N 419.595 1.525 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCN(C(C)C)CC1 1760250469 ZUVXRHMJMKCYQG-LJQANCHMSA-N 419.570 1.493 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2csc([C@@H](C)OC)n2)CC1 1760258894 DOUCUDKIDJLYLQ-HZPDHXFCSA-N 416.551 1.749 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1760543682 RHULDUGDFWPPIU-QZTJIDSGSA-N 417.535 1.599 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCN(C)C2)C1 1760544090 VOGDABPBNQEDAV-KNQAVFIVSA-N 415.513 1.856 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1760550471 ZBWAGXTXVCALDO-IBGZPJMESA-N 420.477 1.802 30 10 HDEE CCCCOCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1764205735 YGPHBPDOCUPRGU-CRAIPNDOSA-N 413.519 1.829 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCn2ccnn2)CCOC1 1767424319 GWGWENGHQHJVCQ-LJQANCHMSA-N 400.487 1.352 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1769275204 GPFILZDRSBSKHX-JKSUJKDBSA-N 407.471 1.425 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1772566858 UAPRGMQDZUYOJZ-KRWDZBQOSA-N 412.542 1.973 30 10 HDEE C=CCN1CCN(C(=N)NS(=O)(=O)c2cc(OC)ccc2Br)CC1 1848497170 HMUMJBPYUONGBV-UHFFFAOYSA-N 417.329 1.474 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1 1849244586 KUUOLMHGAFBKJN-UHFFFAOYSA-N 417.473 1.651 30 10 HDEE CN(C)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 1850054414 VVTSQZWMUWKPNR-IBGZPJMESA-N 405.564 1.818 30 10 HDEE C[C@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)n1nc(C2CC2)ccc1=O 1850181056 RWLBYIRDRLETJA-OAHLLOKOSA-N 406.490 1.981 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@@H]1CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1 1851120406 PQHBMOYSOWIVDN-GFCCVEGCSA-N 400.357 1.817 30 10 HDEE CC(=O)N1CCO[C@@H](COCCCc2cn3ncc(C#N)c3nc2C(F)(F)F)C1 1852536803 RTULZZXFONLSOJ-OAHLLOKOSA-N 411.384 1.816 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCCN1S(C)(=O)=O)c1ccc(F)cc1 1852803965 XNFVALNXPCYHGI-HNNXBMFYSA-N 414.528 1.848 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@H]([C@@H](C)NCc3nc(-c4cnn(C)c4)no3)C2)CC1 1853573411 UPQJXXROJYNEDU-CABCVRRESA-N 420.539 1.709 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCc2ccccc2OCC)C1=O)[C@@H]1CCN(C)C1=O 1854179905 ZZJAOXGIDOPQIF-MOPGFXCFSA-N 413.518 1.864 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)CC3CCC(=O)CC3)C2=O)C1 1854286711 PFJHLZBCOOOCMW-LJQANCHMSA-N 410.474 1.683 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2cc(Cl)ccc2Cl)C(=O)C1 1854522448 HPUBGTZFUDKVKG-UHFFFAOYSA-N 404.275 1.450 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1854675624 IBSNLVYGQHGBCJ-DOMZBBRYSA-N 408.380 1.394 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cn(C)nc3C(F)F)C(=O)C2)C1 1854957799 OALYYXVHLTUBET-KGLIPLIRSA-N 408.453 1.409 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C[C@H]3CCOC3)nn2)CCN1Cc1ccc(C#N)cc1 1855592519 HCGWKWHFZICJCF-CRAIPNDOSA-N 408.462 1.059 30 10 HDEE C[C@@]12CCC(=O)N1CCCN2C[C@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1855807040 NCKJSIIAJSWTCA-XXBNENTESA-N 408.502 1.910 30 10 HDEE C[C@H]1CN(CCCC#N)c2ccccc2N(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1=O 1856033797 DPHDMXLJZCYVMN-MAUKXSAKSA-N 418.519 1.730 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3C[C@H](CN4CCC(CC#N)CC4)CC3=O)n2)cc1 1857207916 OGSSZQKPGJNHAU-KRWDZBQOSA-N 407.478 1.585 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857270162 JRHDHBAFXAYCNU-ZBFHGGJFSA-N 400.479 1.261 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)s1 1857508847 BJMLSIDUKMOAFV-LSDHHAIUSA-N 414.531 1.970 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O 1861525185 LHOSAAVBCSEGBP-IBGZPJMESA-N 421.453 1.408 30 10 HDEE COc1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1S(C)(=O)=O 1866891598 YBHZXPKDVXYOCF-GFCCVEGCSA-N 401.444 1.727 30 10 HDEE CCN(CC)CCNC(=O)[C@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933530 IJXJEKGALUPKJW-LJQANCHMSA-N 414.531 1.924 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N[C@H](C)CC)cn1CCN(C)C 1870530965 AXQIXMJOGNBMRA-GOSISDBHSA-N 404.555 1.877 30 10 HDEE C#CCOc1cn(C[C@@H](c2ccc(O)cc2)N(C)C)c(CN2CCN(C)CC2)cc1=O 1870561614 UZJFADAVLHQADX-QFIPXVFZSA-N 424.545 1.616 30 10 HDEE CCOc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc1OC 1874444194 BIUKUNLIFATSPY-ANKPHQHTSA-N 405.480 1.997 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889328817 RSARPKROFSBMGP-UHFFFAOYSA-N 414.550 1.741 30 10 HDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889403961 MHXQTTGMBHVEQV-LJQANCHMSA-N 417.525 1.851 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(N(C)c3cc(C)ncn3)CC2)cs1 1889471761 BAQIFQDNVNZRRJ-UHFFFAOYSA-N 400.508 1.898 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cncc4cccnc34)CC2)CC1 1889513699 CJQVIHOBOAYLDG-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE N#Cc1ccc(F)c(C(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1892369730 MBAUGGGQTMLBDT-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)O 1899853078 UINOWWLGLZZHME-KGLIPLIRSA-N 401.504 1.848 30 10 HDEE C#CCO[C@@H]1CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2046024233 YVVDZHQKIJCPQP-KUHUBIRLSA-N 408.451 1.065 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)N1CCC2(CCC(=NO)CC2)C1 2050346306 JLGDPGZEPFKYFD-UHFFFAOYSA-N 405.476 1.709 30 10 HDEE C[C@@H](NS(=O)(=O)CS(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2121140438 CUBLNVLHRJJHHY-SNVBAGLBSA-N 409.360 1.030 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2172711251 IOOJZQZCIAMNIS-ZDUSSCGKSA-N 418.777 1.958 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1CCNC(=O)OC(C)(C)C 2174781697 IIZHHXHYCUTJNC-ZBFHGGJFSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H]1C(F)F 2174788223 BZPAFNSOIMPEKZ-CHWSQXEVSA-N 408.471 1.557 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3ccc(C#N)nc3)C2)C1 2182735636 JTLOZYPZHNXMKL-UHFFFAOYSA-N 412.493 1.361 30 10 HDEE CN[C@@](C#N)(Cn1cnc2c(Br)ncnc21)C1(Br)CC1 2206648352 OGWMEUPRJVXRLD-LBPRGKRZSA-N 400.078 1.998 30 10 HDEE C[C@@H]1O[C@]2(C(=O)ON3C(=O)c4ccccc4C3=O)C[C@@]1(NC(=O)OC(C)(C)C)C2 2241400665 XSTOLQDDENAXAR-JSKJEHKMSA-N 402.403 1.956 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2243422643 JACKPYMEWTXYEH-UHFFFAOYSA-N 415.324 1.988 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247782196 RJQJQWIIIQWUFR-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247822410 DYSUUEWFSRASMP-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CON(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2247827047 DNWOGUDKLPISFH-UHFFFAOYSA-N 424.307 1.627 30 10 HDEE CC(C)(C)OC(=O)N(CCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247830527 ZXWQVJJPKBVDGI-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247856555 ATIICVBKUPQJRD-UHFFFAOYSA-N 418.303 1.515 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)c1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2248032813 IHSOHMXPNDCDLN-HNNXBMFYSA-N 421.347 1.890 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 2255806620 HZPBCNZCDKLDGB-SFHVURJKSA-N 424.354 1.971 30 10 HDEE C[C@@H](CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)S(N)(=O)=O 2281790283 SUVVIKPPXITGBW-JTQLQIEISA-N 402.709 1.046 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CN[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314536 AWFIDDKQTLOVJG-STQMWFEESA-N 400.375 1.632 30 10 HDEE CCN(C)C(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282315141 KFLNUXSZVPMHIG-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCNC3)c(Cl)c2)OC1(C)C 2282489636 HLGVEPSTOSYLMY-ZDUSSCGKSA-N 400.737 1.670 30 10 HDEE COC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282492805 QPUAWVBJQNLAHY-AWEZNQCLSA-N 401.359 1.892 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282500785 NRBFQHOUZWQPKN-ZDUSSCGKSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCC[C@@H]2CO)OC1(C)C 2282501744 BCXHHAIRUDTBTP-TZMCWYRMSA-N 401.359 1.628 30 10 HDEE CC[C@H](C)[C@@H](O)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505587 GIXWUQYNZITWDR-JSGCOSHPSA-N 403.375 1.874 30 10 HDEE C[C@H]1CC[C@@H](N)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507907 NTSOQVMVAAQOON-GXTWGEPZSA-N 400.375 1.689 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2OCC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282836949 AFMJEDWHLRRBPK-NWDGAFQWSA-N 405.322 1.761 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840845 PZYOJYVYVVUTJM-NDHGSNPTSA-N 422.403 1.019 30 10 HDEE C[C@@H]1CSCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282847108 UGNSKLCSAXAFCM-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE C[C@@H]1CC[C@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CS1 2282848888 TYKZXEGRXWUAKQ-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282866298 GZYIJVIEWNDHEA-AWEZNQCLSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CN 2282876311 BEXXGSWSGZHDLH-PXAZEXFGSA-N 400.375 1.653 30 10 HDEE C=C(CS(=O)(=O)NCC[C@@H](N(C)C)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2282876809 JEQGXBMTBWYWTK-GFCCVEGCSA-N 400.272 1.976 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284406021 SPTGIZBXWAZVTJ-GFCCVEGCSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(CCC(=O)O)C2)OC1(C)C 2284406305 WVTJYNLYXBNTHA-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300224973 KMIYZWHMMGIIQH-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC(C3OCCO3)CC2)n1C 2362567789 SRJOERQMIUQAPH-UHFFFAOYSA-N 405.304 1.253 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@H]2OCCC[C@H]21 2365178753 LHJYJJHYQWVCOJ-DEXNDLTESA-N 401.525 1.636 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@]2(O)C#CC(C)(C)S(C)(=O)=O 2365179276 NSVFEMUNDXCIDS-NYMLVNCVSA-N 401.525 1.494 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2[C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365194461 RBEOFFSTEGZYNW-CVEARBPZSA-N 400.541 1.258 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819574 YEXSHBYTVBKEBH-UCLAIMLFSA-N 400.541 1.340 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)N(C)C2(C#N)CCCCC2)cc1 4285316 KHNUTDWSMLVRPT-UHFFFAOYSA-N 421.519 1.892 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O 45883762 QEKBBEPQXOSVQS-CQSZACIVSA-N 419.441 1.469 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)CC1 105360004 KBCBZRQPNVAGOA-UHFFFAOYSA-N 423.583 1.313 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)sc1C 122303392 JNVIKHLOTRKCGM-JTQLQIEISA-N 412.352 1.630 30 10 HDEE CCNC(=S)NN=Cc1ccc(OCC(=O)N2C[C@H](C)O[C@@H](C)C2)c(OC)c1 254443678 SGDGTFZNGVVNGZ-KBPBESRZSA-N 408.524 1.528 30 10 HDEE N#Cc1cnc(N2CCN(C(=O)c3ccccc3I)CC2)cn1 302231245 CVOABDPOGHDNJK-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(C#N)cc2C)c1 438987653 ULEYZHADSFWJKT-CYBMUJFWSA-N 400.460 1.532 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCC1CCC(C#N)CC1)CC2 443318667 ZZTUQYBLWGYNRB-UHFFFAOYSA-N 418.519 1.320 30 10 HDEE C=CCN(C(=O)CN1C(=O)NC(=O)C1(C)C)[C@H](Cc1ccccc1)C(=O)OCC 444382164 MWYMAMQUDVIRHR-MRXNPFEDSA-N 401.463 1.506 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCN(c3ncccc3C#N)CC2)c1 472765957 KFAYMDFLCJQKMM-UHFFFAOYSA-N 421.440 1.137 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 473416876 ZUHBLERSLPAKSU-UHFFFAOYSA-N 410.474 1.966 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)nc1 475819665 SMHKXKCFMUKHFO-UHFFFAOYSA-N 422.493 1.563 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCC2CCS(=O)(=O)CC2)cc1 480970155 XNCWPFXVWJKVKH-ZDUSSCGKSA-N 413.521 1.709 30 10 HDEE CNC(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(C)C 489246485 BXWFYPFKRFLRAB-QRWLVFNGSA-N 415.538 1.716 30 10 HDEE COCc1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 489877538 UKJFVAAPLGORSU-UHFFFAOYSA-N 404.444 1.978 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3C#N)CC2)cc1 505670468 JNFXVUMHZQSFAL-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508936943 ASDGDCISQKCCAG-ZIAGYGMSSA-N 423.543 1.965 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCCCC3)CC2)CC1 512443262 ACUAYEFHSLYYHC-HXUWFJFHSA-N 403.571 1.403 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(CN4CCN(C)CC4)CC3)cc2C1=O 518947573 PVBJAIKUTQJJHD-UHFFFAOYSA-N 410.518 1.568 30 10 HDEE C[C@@H](C#N)CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C1CC1 533141825 NEATXCCCTJQXPA-VIFPVBQESA-N 406.327 1.940 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 543890846 JQWDGRRCTNASRA-AWEZNQCLSA-N 422.898 1.943 30 10 HDEE COC[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 557254221 YAYRDMSYUJKQKN-LJQANCHMSA-N 410.449 1.850 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)N[C@@H](c2ccc(OC)cc2)c2nccn2C)CC1 559540179 BRCSSPKASPHHTN-IBGZPJMESA-N 411.506 1.401 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccn(Cc2ccccc2)n1 560241208 LQYVUDRDCLSHRW-MRXNPFEDSA-N 423.498 1.786 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C(C)C)C(C)(C)C1 580454917 IPCSMGBOECIHBK-AWEZNQCLSA-N 412.560 1.300 30 10 HDEE CCN(CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 608843203 HZNXVYSQXVEBSZ-UHFFFAOYSA-N 407.540 1.304 30 10 HDEE Cn1nnnc1CCNC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 611316872 NSLZYNHESAAWLF-UHFFFAOYSA-N 401.481 1.590 30 10 HDEE Cc1nc(=NC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)n(-c2ccc(C#N)cc2)[nH]1 619793199 RSBQYROAUATJSA-UHFFFAOYSA-N 405.418 1.867 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCC1 732496504 XAKHMCHAAPHHFC-PKOBYXMFSA-N 408.458 1.230 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 746247740 OGRDTMZWYRMUAQ-WBOBJJNYSA-N 418.444 1.962 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)cc1C#N 746686157 XMDIZMVOIBASQZ-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(NC(C)=O)cc2)c1=O 758062687 VPWXRMAGOCSUAO-UHFFFAOYSA-N 405.479 1.374 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 758758494 IJWRQKALSDOKFN-KSZLIROESA-N 421.542 1.642 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 766483315 UVNLSYFQFXSQQM-RBUKOAKNSA-N 418.515 1.684 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCC1)c1ccc(S(=O)(=O)N(C)C)cc1 771074380 LNHKCLCEMHTALI-ZDUSSCGKSA-N 413.521 1.180 30 10 HDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 772898699 PVVCQJOAAPIPHH-UHFFFAOYSA-N 418.522 1.993 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)NS(=O)(=O)c3cccc(F)c3C#N)c2C)cc1 781598441 UZOQZDIZVGVCRU-UHFFFAOYSA-N 413.434 1.943 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)CCN1C1CC1 786973971 VGYLFEYBMVWSLN-HKUYNNGSSA-N 417.460 1.838 30 10 HDEE C[C@@H](CC(=O)NCC1(CO)CC2(CCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 790085854 AHNZBEDILYFGDZ-AWEZNQCLSA-N 405.520 1.563 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790245159 WZNHXVCFPXHQQG-IBGZPJMESA-N 415.556 1.872 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccn(C)n2)C1=O 790760436 WRVKHTHSPTVENS-HNNXBMFYSA-N 420.564 1.681 30 10 HDEE N#Cc1ncccc1OS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 795284762 OAVIDQJJQHJIAZ-UHFFFAOYSA-N 407.473 1.896 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 795817996 BNUVKMKWAPURIX-ATZDWAIDSA-N 411.458 1.974 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)C1=O 798546753 GYEKEUWDLOTLLB-LAUBAEHRSA-N 401.463 1.317 30 10 HDEE C=CCN1CC[C@@H](N(C)Cn2ncc(Br)c(Br)c2=O)C1=O 799142828 ATOJBEMSLLNALH-SNVBAGLBSA-N 420.105 1.445 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)n1 801073402 APHOWWBXXBXBGV-GOSISDBHSA-N 409.490 1.728 30 10 HDEE CCN1CC[C@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 801669016 UGYZJKWJUFQFSE-UFPHYQGISA-N 407.496 1.242 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 811020799 DQYQSURTZBCRJG-SNAWJCMRSA-N 408.480 1.034 30 10 HDEE C#Cc1ccccc1CC(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 811257095 BJKOZIQMWDLGFV-GJZGRUSLSA-N 414.483 1.667 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(c2nccc3sccc23)CC1 813845786 VQQUENGEAGFAMO-CZIZESTLSA-N 411.487 1.861 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@@H](OC2CCOCC2)c2ccccc2)c1 813981612 GIEREDHTMMCGBP-SFHVURJKSA-N 401.444 1.695 30 10 HDEE CC(C)(C)N/C(=N/CCCCN1CCN(c2ncccn2)CC1)NC[C@H]1CCCO1 912507887 HGSSDTDHXKKAOZ-LJQANCHMSA-N 417.602 1.892 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192982 TZOKOHRNUNULQK-HRAATJIYSA-N 423.558 1.440 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCCC(=O)NC(C)(C)C)n[nH]1 1084032771 BUMNGSINOHDDKH-UHFFFAOYSA-N 408.532 1.453 30 10 HDEE CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCN(S(C)(=O)=O)C1 1129175771 PDJSRXBBLNMWDU-HUUCEWRRSA-N 416.544 1.456 30 10 HDEE COc1cccc(Oc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)nc2)c1 1134056795 VFXMOGULCCLPNS-XOBRGWDASA-N 413.455 1.893 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](Cn1cccn1)c1ccccc1)c1cc[nH]n1 1136897335 RNJDWESCMYSHGR-QGZVFWFLSA-N 410.434 1.448 30 10 HDEE COc1cc(C(=O)N[C@@H]2CCN(O)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 1159325501 WYHSSVXAJDTSJH-CQSZACIVSA-N 401.375 1.902 30 10 HDEE N#Cc1cnc(N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(Br)c1 1162152793 GEKONJNEHBNCQK-UHFFFAOYSA-N 422.308 1.690 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]3C)ccc2c1=O 1163827068 HYCMKUYTAQTQFF-FRRDWIJNSA-N 400.504 1.951 30 10 HDEE C[C@](NCc1cc(O)n2ncc(C#N)c2n1)(C(N)=O)c1cccc(C(F)(F)F)c1 1167803845 FVUHSXSDWBHZLR-QGZVFWFLSA-N 404.352 1.816 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H](C2CCOCC2)C1 1178651238 QALBWJGWFLHGQC-MAUKXSAKSA-N 405.520 1.890 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[C@@H](CC(=O)OC)C2)s1 1180122558 CRYOYQZMKPJHGA-OLZOCXBDSA-N 400.522 1.603 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2cccc(OCCS(C)(=O)=O)c2)CC1 1199444898 BHKMFQBFGAUUAX-UHFFFAOYSA-N 409.464 1.421 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ncn(-c3ccccc3)n2)[C@H](C#N)C1 1225935664 AQOYRHYQSJLJCK-GDBMZVCRSA-N 411.466 1.826 30 10 HDEE Cn1ccnc1C(NC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)c1nccn1C 1231209948 ATLQEBROSICXEY-QGZVFWFLSA-N 405.462 1.898 30 10 HDEE CO[C@@H]1COCC[C@@H]1CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1264645025 KSQIMRFZQMBZKA-YQHZFHNVSA-N 409.508 1.880 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1286297418 BLYZUVOIRLSOHO-AEFFLSMTSA-N 424.530 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1nncn1CC 1286421972 HUZBJICALHAFAF-OAQYLSRUSA-N 411.510 1.441 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@H]1C 1286444493 YNZXAPGJWQZHKS-LHSJRXKWSA-N 408.462 1.593 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1286452248 LZLZETLAULUZLW-HOTGVXAUSA-N 412.556 1.675 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCC(C)CC1 1286469405 VGJMMUGIEQQHMB-UHFFFAOYSA-N 413.570 1.958 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCC(C)CC2)CC1 1286479686 IZFMNBJWXXUDMC-HXUWFJFHSA-N 400.571 1.659 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCCCSC)CC1 1286487821 YJMFZUCFLTWYNQ-UHFFFAOYSA-N 420.583 1.525 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286830387 LJUYYACNVKTGJY-CQSZACIVSA-N 402.528 1.607 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCC(CC#N)CC2)CC1 1286889510 KHLMWZXWCGWLSV-LJQANCHMSA-N 415.542 1.424 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1293523980 QYCCCIUPNVHFQL-SWLSCSKDSA-N 424.552 1.733 30 10 HDEE CCCO[C@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1294999640 YSCLLQPCXZIYIZ-RUNIHZNKSA-N 402.499 1.898 30 10 HDEE C#C[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)[C@H]1CCCO1 1296699693 HFRAEJMTLWKFNV-IAGOWNOFSA-N 413.478 1.707 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297131312 AZRFMXPTQXVATL-VVWDJWGFSA-N 402.499 1.823 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N[C@@H]1CCN(O)C1=O 1298427516 VRPPEYVXMGQOSI-OAHLLOKOSA-N 407.423 1.655 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1=O 1298873649 GBGMEPFXOIMBGU-UXHICEINSA-N 400.433 1.928 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1300421314 BRACRMNBROXJNB-UHFFFAOYSA-N 410.526 1.547 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C 1300532002 KCOBEALRICJGRQ-WOJBJXKFSA-N 420.517 1.614 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N1CCC[C@H](CC#N)C1 1300688377 ANDNRYXGPCFEIE-QGZVFWFLSA-N 406.552 1.991 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1300768720 WWCQGYNPURYOED-UHFFFAOYSA-N 402.524 1.118 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccn(C2CCOCC2)n1 1300949813 UNDSNXCDWHKGSX-ZDUSSCGKSA-N 403.464 1.412 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301222706 DKCPQGLHKHAIEX-KSSFIOAISA-N 409.512 1.177 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCNS(=O)(=O)c1ccc(C)s1 1301295409 JOJIASFGMHRLNO-CYBMUJFWSA-N 424.552 1.200 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)C1=O 1303201165 VBYFOYKMGHZHGT-UHFFFAOYSA-N 405.260 1.048 30 10 HDEE C#CCC1(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CCOCC1 1303776586 GZUMBRNQNVELKJ-KRWDZBQOSA-N 409.527 1.731 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1305789114 CQNBJEOGEJQQRQ-KBPBESRZSA-N 412.441 1.349 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1309506936 VWXDVQZGARZSSZ-SJORKVTESA-N 400.522 1.483 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1314642666 HJOJPFKVDBSMGK-IBGZPJMESA-N 423.521 1.064 30 10 HDEE Cn1nnc(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)n1 1314934055 AYDAJOBXVRROPB-LLVKDONJSA-N 403.809 1.038 30 10 HDEE COc1ccc(CCc2nnc(N(C)[C@@H](C)CC#N)n2CCS(C)(=O)=O)cc1 1315444348 DUPPKKFCWLXWIM-HNNXBMFYSA-N 405.524 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1358896360 BQDHLILPMXPUMB-IRXDYDNUSA-N 424.505 1.920 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1358999495 TVFZQJBIUPPJBP-UHFFFAOYSA-N 424.549 1.962 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2csc(CC)n2)CC1 1359028115 HTOZSHMXLZCLPB-UHFFFAOYSA-N 401.540 1.239 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccncc2)CC1 1359173299 BMHHRFZJBGKGNB-OAHLLOKOSA-N 404.540 1.928 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359216337 UTPRFIWATUIDPK-BZUAXINKSA-N 407.540 1.394 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2CC2)CC1 1360159809 WNFREFDOILSVPF-UHFFFAOYSA-N 421.505 1.400 30 10 HDEE C#CC[C@@]1(C(=O)Nc2nc3nc(CC)cc(=O)n3[nH]2)CCCN1C(=O)OC(C)(C)C 1438068197 ACSLZHOWXZWSFK-FQEVSTJZSA-N 414.466 1.712 30 10 HDEE Cn1nc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1NC(=O)OC(C)(C)C 1440763834 ZDFVAGRFYLHZID-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C=CCN(C(=O)C1(F)CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1442037403 XQHQLBLHQPVFIF-AWEZNQCLSA-N 404.504 1.927 30 10 HDEE COCC#CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1446247351 RLFVLPJHZBCYDY-IRXDYDNUSA-N 407.511 1.391 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1450327033 LAFJHCRUODUGIF-GOSISDBHSA-N 424.494 1.987 30 10 HDEE C#CC[C@@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1452142069 AQQARTYYOGIZGF-KKSFZXQISA-N 406.527 1.358 30 10 HDEE CCCO[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)cc1C 1457197234 FCXDFXCXWOOAIA-KRWDZBQOSA-N 400.410 1.819 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)[C@H]1CCS(=O)(=O)C1 1458878642 ZKIHOVKFSZLWFA-HNNXBMFYSA-N 412.581 1.588 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC2)ccc1Cl)C1CCN(C)CC1 1462994223 CHKVKMQFKPJZJU-UHFFFAOYSA-N 409.939 1.904 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)[C@@H]1CCCO1 1463558725 IQSJUXNCQIWSQK-RYUDHWBXSA-N 405.245 1.146 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc(NC(=O)Cc2cccnc2)cc1 1464554605 HJYGPPCXBARRFP-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cnc(N3C[C@@H]4CC[C@H](C3)O4)nc2)c1 1467197958 HHWQOXUTVSACGE-HDICACEKSA-N 406.446 1.586 30 10 HDEE CCOc1ccccc1[C@H](CC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C 1467836045 CDPLYEXSEXXOKI-HNNXBMFYSA-N 404.467 1.797 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)cc1 1469799302 ZPDYJFQABDQWIP-FCHUYYIVSA-N 418.497 1.790 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)C1 1471338087 VAWHCRTXISBPFS-KRWDZBQOSA-N 424.592 1.478 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)CC1 1471938916 ZROVRWJZLBKHAX-DEOSSOPVSA-N 418.497 1.821 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c([N+](=O)[O-])s1 1472665640 KWFOWRHOQVYUEJ-UHFFFAOYSA-N 418.460 1.915 30 10 HDEE CC[C@H](C)[C@H](NC(=O)Cn1cc(C#N)c(I)n1)C(=O)OC 1473050030 DXEGIOWAZWJDQO-KWQFWETISA-N 404.208 1.063 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(CC(=O)NCc3ccc(C#N)cc3)CC2)C1 1473882057 BQVQWCHNGUSDKM-UHFFFAOYSA-N 413.522 1.411 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1nncn1CC 1495528263 HEGJKRKDKJNUHR-CYBMUJFWSA-N 407.482 1.986 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(Cl)c2)nnc1N1CCC(C#N)CC1 1505145152 HTQFNMDFLAEKLQ-UHFFFAOYSA-N 408.915 1.888 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507559808 WDAYFOLGDFZJAD-UHFFFAOYSA-N 409.538 1.821 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1507623252 QPGPILSNWTUHDT-INIZCTEOSA-N 407.540 1.087 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2CC(C)(C)O)n1 1507716213 IOPISKPQRQYAQZ-INIZCTEOSA-N 402.499 1.036 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1507723302 CQMXMEOJICOBFT-MOPGFXCFSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCc2cccc(C(=O)NC)c2)CC1 1507731481 JOKOQWDYDQZQLM-UHFFFAOYSA-N 406.534 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@H]1C 1507809878 XSFNJBNCJARVRU-TVFCKZIOSA-N 421.542 1.650 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC(=O)NCC(F)(F)F)C1CC1 1507987118 POCFKCMIMLEIAZ-UHFFFAOYSA-N 400.405 1.347 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1508121084 CRVGCZWQXZZEBD-ZWKOTPCHSA-N 419.526 1.550 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1508153406 LCRBMDLZFBOLAB-UHFFFAOYSA-N 422.580 1.777 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1508328252 ZLSAGJIGLPLFOP-KRWDZBQOSA-N 405.462 1.882 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1508775140 YANWNUWDWNXEIA-MRXNPFEDSA-N 412.494 1.990 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1509952211 ZDEIEBMBPHVPIS-CQSZACIVSA-N 418.448 1.744 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512908690 MONARMZLEAVBSQ-IUTYPILCSA-N 402.499 1.791 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCOCC1 1513974912 GDEUPJOXQUYHGV-LJQANCHMSA-N 423.521 1.254 30 10 HDEE CN1CCN(C(=O)[C@@H]2CCc3ccccc3N2C(=O)Cc2ccc(C#N)nc2)CC1 1516291250 DTSKSZZAXIVOFM-NRFANRHFSA-N 403.486 1.618 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1516785770 UIHMUGAVMMDQKW-CQSZACIVSA-N 403.508 1.601 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1518749034 GFUIYRQBGZSTRP-PMPSAXMXSA-N 401.398 1.915 30 10 HDEE COCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519035675 URNZZSNCQWUGRR-KRWDZBQOSA-N 424.509 1.249 30 10 HDEE COCCN(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1519124571 DWTPXTAUYOARSP-ROUUACIJSA-N 420.558 1.710 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC(C)C 1519435732 HSGSYUWQSKMJFG-URLQWDBASA-N 408.478 1.359 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1530725939 WMKIWHAGYKYBCY-JZXOWHBKSA-N 408.520 1.643 30 10 HDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1CCCn1cnnn1 1539155760 XVGGXLLGHUKXPR-UHFFFAOYSA-N 419.262 1.993 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CCC)C1 1539170963 DLZXWHLACIWAOL-QGZVFWFLSA-N 419.533 1.993 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(Cl)cc1 1539178033 DQMYBWNOMNGBLC-INIZCTEOSA-N 423.926 1.382 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539224539 HZEZQDNCUSIUHE-QZTJIDSGSA-N 422.551 1.053 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2CCNS(=O)(=O)c2ccccc2)CC1 1539847193 BFGQUKUOQJJOFC-QGZVFWFLSA-N 417.535 1.917 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540861662 AZBSUCFBHKWTBF-FHWLQOOXSA-N 404.559 1.404 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1540872413 OYXQRAXYBCLEGN-UHFFFAOYSA-N 414.485 1.681 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1540904016 ININBLPJPVKSMW-INIZCTEOSA-N 424.567 1.606 30 10 HDEE C=CCC1(C(=O)N[C@@H](C)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CCOCC1 1542973468 OFPPPXBJUGEUAB-AWEZNQCLSA-N 409.508 1.411 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1([S@](C)=O)CC1 1546532176 BQHIKYDSSDWHBT-ONSXPEOJSA-N 414.539 1.128 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1552812933 OPWODWRGXUHDRH-IAGOWNOFSA-N 404.515 1.012 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CCO1 1555993393 NUMOSYHCAZOXPW-IAGOWNOFSA-N 414.441 1.566 30 10 HDEE C=CCC[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OCC 1556642576 PSMLVJCVXUKKCS-OPAMFIHVSA-N 413.474 2.000 30 10 HDEE C=CCOc1ccc(CC(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)cc1 1556930892 XPNYJRFPMNNUBO-WMLDXEAASA-N 406.504 1.763 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1557745077 FGPKSXSGLXUMDQ-XMSQKQJNSA-N 423.554 1.892 30 10 HDEE N#C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1569055088 KCTRYEUFWMZEFN-YUELXQCFSA-N 415.309 1.043 30 10 HDEE CN1CCn2ncc(C(=O)Nc3ccc(Oc4ccnc(C#N)c4)cc3)c2S1(=O)=O 1569989019 ZFYTYHGJMTYIHZ-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 1583818209 YHOWSEQEVWBSLT-ZWKOTPCHSA-N 402.495 1.601 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)CCO1 1585431673 IGOQFXULPDEXDB-QGZVFWFLSA-N 412.899 1.277 30 10 HDEE CCOC(=O)CN1C(=O)C(F)(F)c2cc(NC(=O)[C@@]3(C#N)CCCOC3)ccc21 1588008369 WCMSCVYQJKWMHI-GOSISDBHSA-N 407.373 1.947 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@]1(C)CCCS1)[C@H]1CCS(=O)(=O)C1 1588054562 OFYLTYRVNHNOIZ-JTDSTZFVSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCC(F)F 1588253911 ISYIHDSAMOHUGM-UHFFFAOYSA-N 419.407 1.840 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(-n2cncn2)nc1 1588637339 FAUPJJQFMSUPOI-GOSISDBHSA-N 422.493 1.630 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCn2ccnc2C)CC1 1588733279 QEJLMWVAEHZOJD-UHFFFAOYSA-N 412.542 1.157 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@H]1C(C)C 1589150800 LKAYYVSLEWZIBI-OGNFBWPZSA-N 423.583 1.942 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1595405134 DDEAFERYUXWXSL-CQSZACIVSA-N 406.512 1.616 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1595544971 OTEBARPLTAVOEV-IXDOHACOSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)C1 1595545515 YBULXDBWGYJELJ-MRXNPFEDSA-N 410.526 1.601 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CC)C1 1595812056 LSPLGORYYAAISA-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccco1 1595823523 OTOORMSSVVAMNK-UHFFFAOYSA-N 407.496 1.231 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CCCC2)cc1 1595972078 VZAWPMSLUMWXQX-QGZVFWFLSA-N 403.504 1.180 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1-n1cccn1 1596812840 CCGNSWQZOVNQQL-HNNXBMFYSA-N 402.466 1.903 30 10 HDEE N#Cc1cncc(CNC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1 1596855689 JVJUMKXHGSMKKC-NVAPOSRTSA-N 403.442 1.373 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCCO)Cc2ccc(OC)cc2)c1 1603581813 PYZYJHXUMNAMMQ-UHFFFAOYSA-N 416.499 1.632 30 10 HDEE C[C@@]12CN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C[C@]1(C)CS(=O)(=O)C2 1611225000 VYBITSFWRABRHJ-RYGJVYDSSA-N 405.495 1.807 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1 1614071081 FBGRYFRMTDCDCZ-KRWDZBQOSA-N 420.477 1.856 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2cccnc2OC)CCOC1 1616139898 CIYGMEIRLBJSHX-YWZLYKJASA-N 400.483 1.978 30 10 HDEE N#CCN1CCC(CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)CC1 1617360880 VXKYZZAJUBGQLT-IBGZPJMESA-N 400.527 1.369 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1618578944 XTSNRKGVBAKUPK-NRFANRHFSA-N 412.494 1.178 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(C)n(C[C@@H]3CCCOC3)c2C)CC1 1623498845 GOSVQGXAJCCNAB-IBGZPJMESA-N 400.523 1.039 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)C[C@H]2C(=O)OC)s1 1625753726 OEWRIWMXTHTFML-JSGCOSHPSA-N 400.522 1.555 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)Nc2cc(CC#N)ccn2)C1 1631056513 ZXMZYLUHDNFXQP-CQSZACIVSA-N 408.480 1.510 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN[C@@H](c4cnn(C)c4)C3)ccc2c1=O 1631437186 CJQPHZQTHNPPEO-QGZVFWFLSA-N 410.503 1.391 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 1633355991 QBGMBSOMKBREBQ-GOSISDBHSA-N 405.520 1.435 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCc1nnc2n1CCN(C)C2=O 1633656021 YCYZBKXEAKQZPI-UHFFFAOYSA-N 421.461 1.087 30 10 HDEE CC(C)(C)OC(=O)[C@](C)(O)CNC(=O)COc1ccc(C#N)c(Br)c1 1633687825 DTYYALGYGNYBTM-QGZVFWFLSA-N 413.268 1.908 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)C1 1634492496 PRCCSPILNXHJRQ-OJNOIJSXSA-N 410.561 1.848 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1635508404 OIOHCUIBLPANOB-UONOGXRCSA-N 419.530 1.734 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cn(C(C)C)c(=O)nc2O)c1 1636518064 KFZDNXXQDXONRX-UHFFFAOYSA-N 403.460 1.257 30 10 HDEE C#C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 1636622620 LALUPCGPEMVGQE-OAHLLOKOSA-N 420.535 1.130 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1OC 1636713768 ILHIJNQEZRZQAF-UHFFFAOYSA-N 400.460 1.534 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)cn1 1637454917 GHKCECSFGCVHBG-HKUYNNGSSA-N 420.391 1.413 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639179788 YJDDEVRYMIWRNZ-ZTENYAIWSA-N 413.540 1.713 30 10 HDEE Cc1cc(C)cc(N2CC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)C2=O)c1 1639822106 RFPCFCLSDZTSHW-XAUMDUMWSA-N 401.488 1.053 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Cc2cncc3ccccc23)CC1 1644284673 BUBXOMRGFOHSPV-INIZCTEOSA-N 400.504 1.025 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2c2cnc(C#N)c(C#N)n2)CC1 1651532704 NAQYYLONAYHQOX-INIZCTEOSA-N 411.466 1.268 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1 1654503955 SIYUSSZDDJOEKA-SJORKVTESA-N 406.508 1.419 30 10 HDEE CO[C@H](CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 1655204314 ARGNLBCAFCMNAZ-RBUKOAKNSA-N 405.520 1.784 30 10 HDEE C=CCn1cc(CNC[C@@H](CNC(=O)OC(C)(C)C)Cc2cnn(C)c2C)nn1 1658391338 KBDWWTQNLAVKKG-INIZCTEOSA-N 403.531 1.979 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)CC2)cc1 1658995159 CIRKYCVJNVUSFB-UHFFFAOYSA-N 420.473 1.518 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)C[C@@H]2CCCO2)cc1Br 1671560828 GTGCOFKKEPBICJ-QWRGUYRKSA-N 407.261 1.668 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CC(=O)c4ccccc4O3)C2=O)cc1 1672354195 ZVGUXYFYHMJTPW-IEBWSBKVSA-N 418.453 1.992 30 10 HDEE C#CCC1(O)CCN(C(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)CC1 1676830296 QCKPDRVOJWEHEA-UHFFFAOYSA-N 413.518 1.789 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 1678551369 KBXGHBDVAPWFEE-CQSZACIVSA-N 407.492 1.753 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1680972948 JTJOZWZEBBLBKV-QGTPRVQTSA-N 403.479 1.695 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc(F)cc3Cl)CC2)nn1 1682166903 CYWUGXWLPDJPJN-UHFFFAOYSA-N 406.849 1.924 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1687889088 MCYJQZYVPYDEEQ-GOSISDBHSA-N 404.536 1.118 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cccnn2)CC1 1689887086 OPRMMQOZTCOUKQ-KRWDZBQOSA-N 408.510 1.904 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1689927782 CCYJESYSGSKHAY-ZSDSOXJFSA-N 414.510 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(C)=O)nc1 1690086860 AVNGCRRVBSOVLL-HKUYNNGSSA-N 412.494 1.863 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](C)OC)CC1 1690136213 BIYGQGMRGKUXIE-OAHLLOKOSA-N 418.542 1.197 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)F)C1 1690723606 WSKRWTPMCIFOMA-QWHCGFSZSA-N 417.482 1.312 30 10 HDEE COc1cccc(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1697500927 GPSKPDWVGAQMNQ-ROUUACIJSA-N 424.505 1.944 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1697987842 IFWQHMWTNYEWLB-XLIONFOSSA-N 412.538 1.992 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)CN(C)C1=O 1698149960 NHXVCOGTZIZPOO-XPGWFJOJSA-N 404.515 1.610 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CCCOC2)cc1 1698488016 ASNCONOIMJWSNX-HKUYNNGSSA-N 408.462 1.884 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705546957 QXNHVMVQTKDFSU-CQSZACIVSA-N 407.927 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCO[C@H]1C(C)C 1705630089 GKOFDKGATXOATI-XLIONFOSSA-N 403.527 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)nc2)CC1 1705652740 LOOJBJLLOWNRAJ-GOSISDBHSA-N 424.505 1.547 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)CC1CCOCC1 1705935904 GJSRIWNHCDGOQA-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCC(=O)N(C)C)CCOC1 1706669417 NUVGHUWDUXNGLK-NRFANRHFSA-N 418.542 1.927 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1710467459 NGMRNDSPMTWGGI-NLEAXPPASA-N 419.526 1.600 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(N(C)C)CCC2)CCO1 1711360202 DKLQDWWJKKCLJU-GOSISDBHSA-N 423.521 1.252 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCC)CC1 1722440194 APWRBPGPRFMLBW-UHFFFAOYSA-N 402.543 1.962 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1722526505 XMGBFKDZGTWCMH-PXNSSMCTSA-N 402.499 1.818 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C(=O)NC 1722592656 XJNMLZGVGWTELC-LSDHHAIUSA-N 411.572 1.601 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(CCS(C)(=O)=O)C1CC1 1722696400 LVJUYGUDJAQJQB-UHFFFAOYSA-N 417.535 1.569 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(O)c2)C1 1722711644 WCKXAZRCUVMRGY-YOEHRIQHSA-N 421.523 1.424 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC)[C@@H](C)C1 1722725268 HRHPIEWVRRLEHA-INIZCTEOSA-N 404.540 1.471 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](OCC)C2CC2)CC1 1739625782 ADWPYDDVCKWJGV-WMDQAZIPSA-N 400.519 1.678 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCC[C@@H]1NC(=O)NC1=O 1740635497 MQHZOADIOXXVQQ-INIZCTEOSA-N 410.865 1.660 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(C2CC2)C1 1740661228 VRCLKDUKGJSQTO-DYXWJJEUSA-N 411.550 1.949 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCCC2(C)C)CC1 1740688250 CENNGCDUUKSAHM-OAQYLSRUSA-N 402.543 1.113 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NC(C)C)CC1 1740696959 MGUSRHHDGNYTTE-UHFFFAOYSA-N 410.522 1.157 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2conc2COC)CC1 1740702669 VDQFBACDSOSBBN-OAHLLOKOSA-N 414.510 1.940 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740948509 JVBJGWRHPOYBFT-MRXNPFEDSA-N 401.515 1.169 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCNC(=O)CC1 1740961221 PJCPBGLPINQTTM-UHFFFAOYSA-N 402.886 1.151 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ncn(C)n2)C1 1740973098 RBTLLCIYIGZMPT-UZLBHIALSA-N 417.514 1.277 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnccn2)CC1 1740995245 FRMKWMRYRGDJDY-UHFFFAOYSA-N 416.555 1.452 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1741000395 QAQKINRCRDWWNJ-OAHLLOKOSA-N 424.596 1.958 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1741003602 YBZCSBUDRNSRGV-OAGGEKHMSA-N 414.597 1.961 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCN(C)C1 1741804635 GSOVOYRVLXPVGT-YWZLYKJASA-N 402.474 1.801 30 10 HDEE CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1741930121 DJFUHIYJAJVCQI-YJBOKZPZSA-N 411.576 1.359 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](C)CN1CCCC1 1742835083 BYZTZEWKHXPFMB-IRXDYDNUSA-N 409.542 1.695 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1745953393 HXMIIAVAIGVMSZ-KRWDZBQOSA-N 415.519 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1748638528 QPMNMOINIFVYHS-AWEZNQCLSA-N 404.515 1.741 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1748713681 DCQQCNBACUVETO-YCRPNKLZSA-N 414.510 1.400 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748747285 FXRLMQFEQBTZGB-QGZVFWFLSA-N 407.540 1.200 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748812008 OFEOUGKTURMNMT-XLIONFOSSA-N 417.535 1.518 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccsc2)N(C)C)CC1 1748989290 KKXSSMQIAKCNIX-IEBWSBKVSA-N 414.579 1.902 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(N)=O)CC1 1749219472 IVDBGHPEIOYEQV-UHFFFAOYSA-N 413.478 1.968 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749676122 FIQXGJDLWXELGS-UHFFFAOYSA-N 423.521 1.015 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1750990278 DAUNFHHUDCHMJX-UFRUDQCGSA-N 408.506 1.939 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1760152141 FDMFPURTNWIENQ-UHFFFAOYSA-N 419.507 1.433 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760153469 RWIBGNQAWCQPAS-HOTGVXAUSA-N 416.526 1.994 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1760158654 PJAJGMVTAJSVDB-UHFFFAOYSA-N 400.483 1.923 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760283623 UYDDRRXNXGMIKM-FQEVSTJZSA-N 416.551 1.412 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1760355352 HAPFISGEQBIFPN-UHFFFAOYSA-N 420.539 1.323 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760356779 WWRRQLFSBSZEKO-HUUCEWRRSA-N 417.470 1.091 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760457336 OFMOGRZLNNPFTH-UHFFFAOYSA-N 403.508 1.497 30 10 HDEE CC(C)NC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1761261273 AXBKFVARTZRLSZ-CYBMUJFWSA-N 403.512 1.533 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCN1CCSCC1 1762606163 FQGWIABIIXBTLH-UHFFFAOYSA-N 415.542 1.973 30 10 HDEE CCCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765910836 SOUZPPXBDNDYQD-KBZZJAQTSA-N 418.498 1.303 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1767504029 VWVULZCEWUDARS-BEFAXECRSA-N 411.422 1.060 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCN(CCC#N)CC1 1850848095 TXLVLZLHAUPISS-INIZCTEOSA-N 406.552 1.709 30 10 HDEE CCN1CCN(CC(=O)NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)CC1 1851059679 ZSMYHRDILOHYOX-UHFFFAOYSA-N 414.531 1.576 30 10 HDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(C#N)cn1 1852957241 PZORSICILMZJRH-LBPRGKRZSA-N 405.402 1.025 30 10 HDEE C[C@H]1CC(=O)N(C(=O)[C@H]2CCCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853949599 HDCPWQJWBNOGGA-MAUKXSAKSA-N 418.519 1.873 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1854030079 PIOMUYGQZOUPBV-LSDHHAIUSA-N 423.922 1.514 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ncc(Cl)cn4)C(=O)C3)C2)cc1 1854259178 WMISLVDSGBAFON-GOSISDBHSA-N 424.892 1.561 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc(F)cc(Cl)c2)C(=O)C12CCCC2 1854488617 XDWDTRXCMBKCJW-UHFFFAOYSA-N 413.858 1.930 30 10 HDEE C=CCN1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 1854881606 UGBSLKYVUXQREB-OAHLLOKOSA-N 403.504 1.756 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)c3cccc(=O)o3)C2=O)CC1 1855000202 CEOFFGSAGNFKQB-KRWDZBQOSA-N 406.442 1.917 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2COc3ccccc32)CCN1CC(=O)c1ccc(C#N)cc1 1855121479 XBVXATDINCRKIO-KXBFYZLASA-N 403.438 1.976 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(C)ccc3C)C2)CC1=O 1856791891 KPASOLCCXQEEOY-HZPDHXFCSA-N 408.476 1.186 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(Cl)c2)C1)[C@H]1CCN(C)C1=O 1857066968 BOALFETZNWGQIJ-HOCLYGCPSA-N 404.898 1.833 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857151818 QWUOLFAAMXKTTH-DOTOQJQBSA-N 402.474 1.370 30 10 HDEE CC(C)c1ocnc1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857152365 GERUEFAICDAYDD-OAHLLOKOSA-N 409.450 1.021 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c3ccccc3nn2C)C1)[C@H]1CCN(C)C1=O 1857263497 HIHWPVKJKICYJK-YJBOKZPZSA-N 409.490 1.281 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cnccn1 1862040289 UQBMVPMKGMRLFN-LJQANCHMSA-N 408.458 1.944 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc2ccccc12 1865722546 USHZAQMDDVIFQJ-INIZCTEOSA-N 418.453 1.234 30 10 HDEE CSCC[C@H](C(=O)N(CCC#N)[C@H](C)C(=O)O)N1C(=O)c2ccccc2C1=O 1866331287 HSHOQUIAWZFUCG-IUODEOHRSA-N 403.460 1.620 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1870098082 MCEZACKWSBHOKQ-UHFFFAOYSA-N 400.376 1.857 30 10 HDEE C=CCOc1cn(Cc2cccnc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870384011 RORGFFPEZSKIPF-UHFFFAOYSA-N 418.501 1.969 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCO 1870538171 HWVCLEHRJWOMNH-UHFFFAOYSA-N 401.463 1.303 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C(C)C)cc1 1889195976 XPNJBCNBGYZVLA-WOJBJXKFSA-N 403.548 1.770 30 10 HDEE Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccnc(C#N)c4)CC3)nc(C)n2)n1 1889643266 VYABMVAESOTWLS-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(C#N)c(F)c4)C3)n2)n1 1889736397 XPONTHXNHKLXIC-UHFFFAOYSA-N 406.421 1.829 30 10 HDEE COc1ccc(OCC(=O)N2CCC(N(C)c3cc(C#N)ccn3)CC2)c(OC)n1 1891255813 WZFNYBUXUXCZLP-UHFFFAOYSA-N 411.462 1.872 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985098541 WPKFATSGCIPCHU-ABHRYQDASA-N 410.320 1.811 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2118172819 YONZTTAGFSGZFI-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)C[C@H]1CCCO1 2157040606 BPWANHGULNYEMI-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE COCC1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174780674 XDKDLBYSCYQJOR-CBCUQQMYSA-N 402.517 1.129 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174788325 DHWISPPUCVJPMV-JYJNAYRXSA-N 400.545 1.997 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)CC1(C#N)CCOCC1)C1CCC1 2202434747 GWJBGNQFYHSALT-OAHLLOKOSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247779376 RYVRSLZYUVKJQT-ZIAGYGMSSA-N 422.287 1.289 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)n1 2247816529 NPYFKYKHFPHGTD-MRXNPFEDSA-N 411.315 1.119 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2247829731 VLGTVDHZHCRKOE-AWEZNQCLSA-N 420.319 1.742 30 10 HDEE CCN(CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247927313 GVTHUXMUKZUECL-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)[C@@H]1C[C@@H]1B1OC(C)(C)C(C)(C)O1 2247937195 JNZMRHGRXMLWNH-NEPJUHHUSA-N 421.307 1.683 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCCS(C)(=O)=O)s1 2281940466 POOGHYJXPQSXQK-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CC(S(C)(=O)=O)C1 2281995702 GLKWJSTXIOPVFS-UHFFFAOYSA-N 400.331 1.090 30 10 HDEE C[C@H](CN1CCCC1)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330853 GMERYXVIACIEKG-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2[C@H]3OCCC[C@@H]32)OC1(C)C 2282500575 ZABGRCUNDXLFOR-RTXFEEFZSA-N 400.331 1.039 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282513096 XRULCMPYKFOJHI-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]34CNC[C@@H]3C4)cc2Cl)OC1(C)C 2282824560 CDARBMWLDUTJFD-MGPLVRAMSA-N 418.777 1.589 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(C(F)F)COC1 2282831557 AQNIZTZNONVNRQ-UHFFFAOYSA-N 409.285 1.668 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@]2(C)CCOC2)OC1(C)C 2282839664 HICRKGNOJWOGMJ-KRWDZBQOSA-N 401.359 1.893 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CCS(=O)CC2)OC1(C)C 2282840006 CCEFBADKMRYFMB-UHFFFAOYSA-N 419.399 1.378 30 10 HDEE C=CCOCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282844933 KTNVEKAGVPAJNC-UHFFFAOYSA-N 402.347 1.407 30 10 HDEE C[C@@H](CC(=O)N(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858421 WTPQLRAUQWXQNV-NSHDSACASA-N 402.347 1.192 30 10 HDEE C[C@@H]1CCNC[C@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282859073 HOACATNIZCCPLE-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874372 ZPKNNOGHVWUBSK-RUZDIDTESA-N 422.403 1.194 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C(=O)O)C1 2284404904 CRBWUHWFHJXKIT-NSHDSACASA-N 401.315 1.451 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCC(F)(F)C(=O)O)OC1(C)C 2284408684 BBQVUDJXTDNARJ-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE CC(C)(C#C[C@@H](N)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317408408 OHJJAEYFKNNTNV-YLJYHZDGSA-N 408.520 1.304 30 10 HDEE CSC1(C(=O)O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2362090201 NGLJIJBNBHMKOO-UHFFFAOYSA-N 419.355 1.238 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CCC1(C)C 2365173652 WQQQAXGLPDVWDX-LJQANCHMSA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@H](O)C#CC2(S(C)(=O)=O)CC2)CCOCC1 2367791679 JZODMSZHNHDWNJ-OAHLLOKOSA-N 401.525 1.640 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)Cc1csc(CNC(=O)OC(C)(C)C)n1 2367803345 KDUICJUMSTXUIX-ZDUSSCGKSA-N 413.565 1.879 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367831623 SPUHWIKSAUAQMD-DOXZYTNZSA-N 400.541 1.291 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2381419131 JSPDWGIZVSAKIH-LSDHHAIUSA-N 401.525 1.590 30 10 HDEE COCCn1c(O)c(C(=O)c2cc(OC)c(OC)c(OC)c2)c(C)c(C#N)c1=O 38620332 OLHFILVDLVQCKL-UHFFFAOYSA-N 402.403 1.637 30 10 HDEE COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1 55574653 QFAOOACWVPLMPJ-UHFFFAOYSA-N 407.835 1.915 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C(F)(F)F 111107060 TXSJKCXXKGTSEL-UHFFFAOYSA-N 404.414 1.276 30 10 HDEE COc1cccc(CN2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254484409 OGQINTPIGCDVSF-ZIAGYGMSSA-N 412.489 1.157 30 10 HDEE C#CCn1c(=NC(=O)c2cccc(OC)c2)sc2cc(S(N)(=O)=O)ccc21 254825228 UJDNGJOWCRGTOX-UHFFFAOYSA-N 401.469 1.733 30 10 HDEE Cc1cc(Br)cc2c1CN(S(=O)(=O)N1CCO[C@@H](C#N)C1)CC2 409492097 TWTMRBCCCGWXHO-AWEZNQCLSA-N 400.298 1.585 30 10 HDEE N#CC1CCC(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 441006135 UHUDXJRVSBZSDC-UHFFFAOYSA-N 414.535 1.913 30 10 HDEE CS(=O)(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)Cc2ccccc21 480713575 XSOOGUFZAYDLDX-UHFFFAOYSA-N 423.491 1.809 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)c1 485931096 HXQZZMSNPSGSSU-KRWDZBQOSA-N 402.472 1.824 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 501196597 JATFNRUBGUQGTL-CGTJXYLNSA-N 402.495 1.511 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCC(C)(C#N)CC3)CC2)c1 507826208 BQHNQMYAZGBHFM-UHFFFAOYSA-N 404.536 1.599 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)N(C)C)CC1 508800854 IOWMKZWFZLMZTE-UHFFFAOYSA-N 407.482 1.411 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[S@](=O)C(CC)(CC)C1 508886214 YDFXIXKYAONHJE-SXBQZSJRSA-N 400.570 1.494 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@H](C(=O)OC)C1 508906889 IVDJCEUZTYKXDO-CQSZACIVSA-N 408.462 1.767 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@]3(CCCOC3)C2)CC1 510620161 QZJXSNYDKOKOFB-UNMCSNQZSA-N 416.497 1.416 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 520418747 GZEDNXBFFYPSHE-IBGZPJMESA-N 412.513 1.937 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](c4ccccc4)OC[C@H]3C)CC2)o1 533262902 DHZMWYRCAKSSJY-UZLBHIALSA-N 409.490 1.965 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 549215921 BOYXNJCMPRIZPL-QGZVFWFLSA-N 423.514 1.963 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 554303873 ISQDVTACRRKCQV-LJQANCHMSA-N 419.551 1.200 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@H]2[C@H](C#N)c2ccccc2)C1 554339884 CIQBYVIOFOIASX-QRVBRYPASA-N 419.551 1.739 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cn2nc(C(F)(F)F)c(Cl)c2C)CC1 562241914 GQDJNSSRGSLEOL-UHFFFAOYSA-N 407.824 1.310 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)CNS(=O)(=O)c2cccnc2)CC1 581639134 AIXBNIOMYWUYMT-UHFFFAOYSA-N 415.475 1.133 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@H](C)C(=O)OCCOC)nc1C 586301984 GJJRIWLYZQNMKL-LUGWNYHVSA-N 418.493 1.060 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 604178079 ICWBQJZENJAXDS-ICSRJNTNSA-N 404.486 1.675 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 604201629 COXFXOWGDLBKBS-OAQYLSRUSA-N 413.566 1.843 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)COc2ccc(C#N)cc2)CC1 609026117 LDKQYXISMGOHPK-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3ccnc(C#N)c3)CC2)cc1 610991501 OLYQWYNUKDWZPH-UHFFFAOYSA-N 414.487 1.636 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 611089684 FFYIOFSFGFXXBV-OAHLLOKOSA-N 401.448 1.822 30 10 HDEE C#CCN(C(=O)C1CCC(NC(=O)CC2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 729334681 AXKRDTXDGRBUHU-ACBHZAAOSA-N 408.564 1.891 30 10 HDEE COc1ccc(C[C@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732462040 DLIIYNGXTWFWIP-UNQMGURYSA-N 402.451 1.460 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C)cc1 734963656 LZDGAIDWKDRACX-HKUYNNGSSA-N 413.455 1.591 30 10 HDEE CCN1CCN(CC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 742245796 SIDQVJKLVJFEIH-UZYVYHOESA-N 407.540 1.075 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC(c3nnc4n3CCC4)CC2)C1=O 743353734 BRNQMEDQRKQRCQ-UHFFFAOYSA-N 419.489 1.697 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCCNS(=O)(=O)c1cnn(C)c1 744586479 BGPWQTLUJNKHKW-UHFFFAOYSA-N 403.420 1.119 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CC[S@@](C)=O)CC1 746472843 GYGBFABADPOFAZ-JYRCXFKTSA-N 406.552 1.326 30 10 HDEE C#CCN(CC(=O)N1CCN([C@H](C)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 749283933 JRUJGHRWGYXGGM-UYAOXDASSA-N 403.548 1.014 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=CC(=O)Nc2ccc(F)cc2F)C1 749788773 IBJAIRWMNIERJG-HNNXBMFYSA-N 412.437 1.379 30 10 HDEE C#Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751686975 KWJORSRJFJDMSQ-ZWKOTPCHSA-N 414.531 1.456 30 10 HDEE CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 763140540 YEHVSSUQANFKJU-MRXNPFEDSA-N 410.503 1.731 30 10 HDEE C#CCN(Cc1cc(OC)c(OCC(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 778999299 DBONRTIZCJMJJZ-ZDUSSCGKSA-N 418.418 1.870 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]2C1(C)C 782392507 OWEFNLXSDRNUQJ-WPLACJGDSA-N 408.495 1.766 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 806742194 BLWDFYFVTRCVOG-UHFFFAOYSA-N 411.455 1.349 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 807468986 DNIYCZNEVLKXCK-PMACEKPBSA-N 419.547 1.457 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 807468987 DNIYCZNEVLKXCK-UXHICEINSA-N 419.547 1.457 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)CC1 815439324 KYAXJLLBPNYMFF-UHFFFAOYSA-N 418.538 1.227 30 10 HDEE CC(=O)N[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)(C)C 1125135874 OBJCSTKGNQYJPP-FIOICXDGSA-N 408.524 1.989 30 10 HDEE Cn1ncc(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1141508566 DQRPPYPKJZJFDC-CHWWFWEZSA-N 402.499 1.651 30 10 HDEE COCC(=O)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1141764389 ILZXCGSDLKLPRQ-UHFFFAOYSA-N 402.300 1.225 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1158215960 NNAQCXRWPSROCF-UHFFFAOYSA-N 406.489 1.356 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3cnn(C)c3c2)s1 1159315657 OEAFNUKZQIOWNE-UHFFFAOYSA-N 404.517 1.958 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)cc(F)c3O)C2)c(=O)nc1O 1159489887 KIYXKFBPMHGTNU-UHFFFAOYSA-N 409.171 1.125 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)C3(O)CN(C(=O)OCc4ccccc4)C3)C2)nc1 1160059091 HDCIOCHJJSRFNB-SFHVURJKSA-N 422.441 1.316 30 10 HDEE CN1C(=O)[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Cc2ccccc21 1166224306 NTSKTROSTQVVNB-INIZCTEOSA-N 401.419 1.440 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1167536002 VOVPUPJHIYOFNW-UHFFFAOYSA-N 403.483 1.450 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 1175854753 WKHQFYCUUDPUDH-NRFANRHFSA-N 413.474 1.147 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@@H]1C(=O)OC 1176903301 WXGJOBXAJVLZHA-CALCHBBNSA-N 401.463 1.444 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1190678270 BNRSBQIREZTZJK-OAHLLOKOSA-N 424.276 1.778 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)NC(=O)[C@@H]4C3)c2C#N)C1 1192937540 AJNXDNBLPBBTKN-FZMZJTMJSA-N 401.492 1.309 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1213276120 GFBDDYJDRPRPAH-NSHDSACASA-N 417.285 1.207 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1225939203 WSQBKJDQOKHAQP-QWHCGFSZSA-N 400.501 1.012 30 10 HDEE Cn1cc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccc(F)cc2)cn1 1226693911 RNRNSAQEZHRMDT-WDYCEAGBSA-N 417.466 1.228 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(-c3nc(C(=O)OCC)n[nH]3)c2)nn1 1230272363 UOKQMBKITNQQCO-UHFFFAOYSA-N 410.438 1.425 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc3c(c2)CN(CC(F)(F)F)C3)C1=O 1275084563 VJJVRWYYJXNSQW-UHFFFAOYSA-N 410.352 1.480 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)c(OC)c2)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1286389116 YLIWBBPNGNYHES-INIZCTEOSA-N 416.503 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCCC(=O)N(C)C 1286402667 CJCMKIOHWFPJEF-UHFFFAOYSA-N 417.311 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1286416609 PZFCCNMRFUHOIP-VGSWGCGISA-N 405.458 1.341 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1286472850 LYBDGLPXECSITF-KNQAVFIVSA-N 419.570 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCO[C@H]2C)CC1 1286494432 SZJSCBADNPAIAE-KSFYIVLOSA-N 417.554 1.372 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1286592164 NLZZFEDQZHMSKI-UHFFFAOYSA-N 407.438 1.941 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286702457 RRMUMSJFLBUEHA-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1286716123 GQQLMARKFSMLMB-HNNXBMFYSA-N 413.530 1.539 30 10 HDEE C=CCN(c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1286734076 MXBRYJDQGXVWAH-LJQANCHMSA-N 406.483 1.789 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@H]1C 1286769390 USVMONUGLCWFKQ-LIRRHRJNSA-N 407.540 1.813 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1288509113 XWYVNXISOLCFRE-LLVKDONJSA-N 418.303 1.961 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1c1cccc(Cl)c1 1289436895 QHRKRLWQRJNIRL-OIWLHUINSA-N 421.906 1.256 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](COC)OC 1292083382 DUULOPTZXXBSJS-OXJNMPFZSA-N 406.531 1.988 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCCCCNC(=O)OC(C)(C)C)CC1 1292889576 FZQWIOLCBSCIJA-UHFFFAOYSA-N 408.543 1.355 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O 1295048904 XUMGSZVUOIBGNW-STQMWFEESA-N 410.400 1.186 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300485415 WABISHWQNQIVHU-SJORKVTESA-N 419.551 1.924 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300496071 NMTODBICLKCOJD-CVEARBPZSA-N 410.565 1.328 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccn(CC)c1=O 1300513267 XISOKZUDVOQHGZ-HSZRJFAPSA-N 423.517 1.621 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCOCC1 1300553262 AOJXAQODUPTXMB-UHFFFAOYSA-N 413.522 1.563 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCOCC1 1300553811 UBIQGUIGDPGJFG-UHFFFAOYSA-N 413.522 1.420 30 10 HDEE C#CCSCCn1c(COc2ccccc2OCC)nnc1N1CCNC(=O)C1 1300777520 WZUQYWBUQSNYCK-UHFFFAOYSA-N 415.519 1.558 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCNS(=O)(=O)CC 1300801917 WTBHIYKFLWTQBK-HXUWFJFHSA-N 416.551 1.970 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(Cn2cncn2)CC1 1300984128 XXUWZLHKPQRGMP-UHFFFAOYSA-N 409.498 1.836 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1301170325 RTTQXYYKEJBMOF-VQIMIIECSA-N 412.556 1.862 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@@H]1CC 1301251667 GKMOGHYFZNRANC-HNNXBMFYSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1301497763 CYRFQVACTFEEIE-MELADBBJSA-N 417.432 1.978 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@@H]3CNC(=O)NC)ccc2c1=O 1302487392 HRPCHXGQDWAURU-CQSZACIVSA-N 415.519 1.795 30 10 HDEE C=CCC1(O)CCN(C(=O)Cn2nc(Br)c(Br)n2)CC1 1303791609 VHKMVEYPCLPMTB-UHFFFAOYSA-N 408.094 1.733 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1305879941 BPZJRARSJHTCRX-VXKWHMMOSA-N 410.522 1.889 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cccc(NC(=O)C(F)(F)F)c1)C(=O)OC 1309442289 BTTIIHWVRIZTCP-LBPRGKRZSA-N 410.370 1.210 30 10 HDEE CC(C)(C)OC(=O)N1CCc2c(CNC(=O)NCC(=O)NCC#N)cccc2C1 1312660304 GXAADRFLYOZABZ-UHFFFAOYSA-N 401.467 1.419 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1C[C@]1(O)CCS(=O)(=O)C1 1314728824 FSSOCVZPMSIJML-HXUWFJFHSA-N 415.519 1.288 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C[C@@H](C)O1 1315932189 CRJOGTAETQTVQM-BEFAXECRSA-N 407.478 1.839 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(C)(C)N1CCOCC1 1316103811 QTBICOJXGWCYRY-QGZVFWFLSA-N 406.531 1.607 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316539807 QMQJFCRQCXIDKY-NVXWUHKLSA-N 423.452 1.485 30 10 HDEE CCOc1ccc(NC(=O)[C@@]2(C#N)CCCOC2)cc1S(=O)(=O)N1CCOCC1 1351486431 XSUPSAKUKIABPD-LJQANCHMSA-N 423.491 1.365 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@@H]4C3=O)n2)cc1 1354673555 FHDUOJZACCBBTD-IRXDYDNUSA-N 406.446 1.702 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCN1CCN(C)C(C)(C)C1 1358952062 WNGPPCVGUJGXBS-UHFFFAOYSA-N 410.566 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1[C@H]2Cc3ccccc3[C@@H]21 1359000533 YDGAONSJXLYWQH-PIKADFDJSA-N 413.547 1.934 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1359055932 SRFIVGBEDWNWND-MRXNPFEDSA-N 418.567 1.481 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CC1 1359063506 VJLQLVWPHKWKFO-XBBWARJSSA-N 412.519 1.829 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1359229047 WRAWZUJZVJLNTJ-UHFFFAOYSA-N 401.515 1.434 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C 1359254560 VZATYMPQEFEOCV-UHFFFAOYSA-N 409.494 1.968 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CCC)C1 1359298714 JMFLWTOOZUEDCT-CQSZACIVSA-N 416.482 1.313 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1 1445534973 XMVDOTSBOLRWJE-WOJBJXKFSA-N 404.532 1.857 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C 1449168549 ZJYOOEIARHFZLO-FBVQUNGASA-N 420.554 1.493 30 10 HDEE COC(=O)c1ccc2c(c1)[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)CCC2 1453058665 LDGMXCPPOSKXJE-JHBCHSCWSA-N 411.458 1.926 30 10 HDEE Cc1[nH]nc(Br)c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458001647 FDVPTUOOTKGHKH-UHFFFAOYSA-N 407.224 1.998 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)c1 1460863489 WLNUCDVVGGGNNP-UHFFFAOYSA-N 407.492 1.213 30 10 HDEE Cn1nccc1[C@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCO1 1463079207 GZLRTNRSZPXCAR-GOSISDBHSA-N 402.476 1.711 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(=O)NCC3CC3)CCCC2)c1 1463202137 IPTDSJKLMZAPDQ-UHFFFAOYSA-N 405.520 1.720 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OC 1463853266 GCVXMVWZXSQKBN-IAGOWNOFSA-N 408.476 1.272 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1464128235 IUMNFXJGPRZNLY-OAHLLOKOSA-N 402.451 1.147 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2CC(=O)OC)cc1 1464233426 VUCAVJFVNKONCC-OAHLLOKOSA-N 401.506 1.156 30 10 HDEE C=CCN1CCC(NC(=O)[C@@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1464922692 VDUGJFJXSVZWAL-SIKLNZKXSA-N 401.507 1.915 30 10 HDEE COc1cc(Br)c(N)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 1464926102 POBNGQBNPWEUTB-PEZBUJJGSA-N 409.240 1.296 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](c3n[nH]c(C)n3)C2)c(C#N)cn1CCOC 1466104193 CLVAOKXHJGIZKW-CYBMUJFWSA-N 415.454 1.631 30 10 HDEE C#CCN(CC(=O)Nc1cccc(N2C(=O)CNC2=O)c1C)C(=O)OC(C)(C)C 1467772027 NIEUYKODHPGPCN-UHFFFAOYSA-N 400.435 1.860 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@](O)(CC#N)C1 1469403876 BCHCXAIJALDNIN-OAHLLOKOSA-N 401.282 1.652 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc2)c1N 1469896783 MKNRCFGHMBZPLL-UHFFFAOYSA-N 401.370 1.033 30 10 HDEE C#C[C@H](NC(=O)NCCC(=O)NCCC(=O)OC)c1ccc(Br)cc1 1470663918 TWNAJUPCCXWLBL-AWEZNQCLSA-N 410.268 1.492 30 10 HDEE CN1CCN(C2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)CC1 1471235451 QXJPGBYWQHLZHA-SFHVURJKSA-N 407.559 1.812 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1473839147 SZYMTNGUBDGTEU-FQEVSTJZSA-N 421.436 1.994 30 10 HDEE CCOc1ccc(NC(=O)N2CC(C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1475844360 HSHUIRFDMPHWMS-UHFFFAOYSA-N 408.480 1.484 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1505314539 FYRMKPFQINQYKQ-UTKZUKDTSA-N 412.469 1.930 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1C[C@H]1CCCCS1(=O)=O 1505325019 HQUGBOQFAQZJRF-MRXNPFEDSA-N 415.523 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCC(O)CC1 1507517514 IGEQVPQSIRIXIX-UWJYYQICSA-N 405.543 1.235 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1507520686 FUCGCXVPMDARGW-VFCRVFHLSA-N 400.479 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCS1(=O)=O 1507534393 STWKEEUNZORJHO-KGLIPLIRSA-N 419.507 1.431 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1507659009 KCSXNXPPAMBFGJ-AVRDEDQJSA-N 411.506 1.315 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCC(=O)N(CC)CC)CC1 1507742344 HPACIPJFVNXXAM-UHFFFAOYSA-N 402.543 1.455 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)C[C@@H]1C 1507747428 XBMQDDZICHNLOI-HOTGVXAUSA-N 409.556 1.426 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1CSC 1507747906 YWXYVEJSZYZBBJ-KBPBESRZSA-N 417.626 1.587 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@@]1(OCC)CCOC1 1507835364 XPBGRTHRGIMNMF-MAUKXSAKSA-N 413.544 1.024 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)CC1 1507885017 PRWCHIATKIJWJA-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1508075260 VWVSZGGUDBSUHT-WMZOPIPTSA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1508085348 UGZWWEKVKDKSHB-LJQANCHMSA-N 420.521 1.913 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1508095781 UKBLJQUPSKURCP-CALCHBBNSA-N 413.522 1.988 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1508098193 XZKPGFMEUFDJKA-RDJZCZTQSA-N 402.499 1.434 30 10 HDEE CC(C)Cc1nnc(N(C)[C@@H]2CCSC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509134743 KFTOUJSCCTWJGE-MGPWXQLLSA-N 404.540 1.945 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1509938219 FDOOYGFZLWXGBD-KBPBESRZSA-N 410.482 1.578 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H]2CCC(=O)N2)CCO1 1521122785 ZGGDXBWFRWQZLZ-VXGBXAGGSA-N 420.271 1.043 30 10 HDEE Cc1c(C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cnn1CCC#N 1528156681 DRQGGQRBRSRFET-UHFFFAOYSA-N 401.492 1.642 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1530253125 MWVQUGFIQPZBHX-IBGZPJMESA-N 408.476 1.142 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1535414496 LBXITNLERPWUJP-GASCZTMLSA-N 423.491 1.013 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](NC(=O)OC(C)(C)C)C(C)C 1539175495 ZQGSWTLMQKIVHF-GJZGRUSLSA-N 404.515 1.848 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1539222225 USKOKQRVCXDKKR-IRXDYDNUSA-N 424.567 1.350 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)C(=O)NC)CC1 1539435790 AULKFYRGWAZKLO-UHFFFAOYSA-N 410.522 1.481 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539744254 GVXLGJCNMZAFRJ-KFWWJZLASA-N 413.544 1.080 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1540020756 WVBYKFDFTURXSK-UHFFFAOYSA-N 418.542 1.458 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1540040204 OWPFWTCGFCVEAH-DYESRHJHSA-N 419.526 1.377 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2nnc(C)s2)C1 1540890732 JEUPYMGOFCHIJN-HUUCEWRRSA-N 417.539 1.803 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCSC2)C1 1540895700 XTEUHMHCOZOXQO-FXAWDEMLSA-N 418.567 1.789 30 10 HDEE CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546601569 CNDSLCOKUPDOSR-MUXVIGPSSA-N 414.510 1.933 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1(C)C 1555168945 SXNFTQMUMIBKEE-AVRDEDQJSA-N 410.522 1.745 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1555635715 DCOOUKSYRIAJED-SUMWQHHRSA-N 411.869 1.994 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@@H]4C3)n2CCOCCCO)cc1 1555989023 WJNMVRKTDRBGGS-IAGOWNOFSA-N 413.434 1.330 30 10 HDEE CS(=O)(=O)c1cc(C(=O)Nc2ccccc2-n2cnc(C#N)n2)c(Cl)cn1 1556904926 DSOGHMLSCFLGRZ-UHFFFAOYSA-N 402.823 1.843 30 10 HDEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N1CC[C@@](C)(C#N)C1 1557620579 ZKHDBIGPOIDBPW-FQEVSTJZSA-N 415.519 1.831 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]1C2 1557974436 AIUXHCJQPSVNCA-YOEYTUCGSA-N 410.430 1.221 30 10 HDEE C=CC[C@]1(C(=O)NCCCn2c(=O)ccn(C)c2=O)CCCN1C(=O)OC(C)(C)C 1568554344 PCXYCXUYKHRBGG-OAQYLSRUSA-N 420.510 1.399 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3nc(C#N)c(C#N)[nH]3)CC2)cc1 1570859230 SGKAWYPJIGTJNP-SREVYHEPSA-N 405.418 1.005 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)cc3c2OCCO3)CC1 1585924466 HDMIAQHSMQDGNI-UHFFFAOYSA-N 407.264 1.822 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1cc(C#N)ccn1)c1ccc(S(C)(=O)=O)cc1 1586182971 IBWLIKLGBUUKMW-LJQANCHMSA-N 401.444 1.565 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CC(=O)OC)s1 1586959353 BFJAEVVZOWSFIG-CYBMUJFWSA-N 400.522 1.699 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1587701443 BVFVUBVVVLCSJG-UHFFFAOYSA-N 400.527 1.669 30 10 HDEE CS(=O)(=O)NCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1587896935 DAPOJFPWKFDBNR-MRXNPFEDSA-N 412.471 1.599 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1588060065 YTIQOCAGGRUFOV-HOTGVXAUSA-N 412.556 1.155 30 10 HDEE COC[C@]1(C(=O)OC)CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1588248867 PRJQHJFGXWDNTB-IBGZPJMESA-N 423.491 1.063 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@H]1C1CC1 1588385083 FFKLBMPORVIWKL-FUHIMQAGSA-N 406.552 1.845 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1588445031 DKGNIDHASDTCTI-UHFFFAOYSA-N 402.462 1.774 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC(F)(F)CO2)CC1 1594194903 YALYDYZVPUQWLF-TZMCWYRMSA-N 419.498 1.715 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1594807408 NWVHEKWVXRSMMX-MRXNPFEDSA-N 416.526 1.271 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1595100727 SIETYCHPRTZQAN-NZQKXSOJSA-N 422.533 1.913 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NC)c1 1595454880 QSZBNEMYQFIASU-INIZCTEOSA-N 409.508 1.518 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1595570127 YHSRCPOMNKFIER-IBGZPJMESA-N 422.533 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1595785359 YBUMCUXGPSMQRP-QZTJIDSGSA-N 417.535 1.946 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1596951181 DZWCCNUZERLTTH-KRWDZBQOSA-N 423.521 1.681 30 10 HDEE C=CCn1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)nn1 1598174540 OJHSVKJWIMYSFQ-UHFFFAOYSA-N 409.537 1.559 30 10 HDEE N#Cc1csc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)n1 1611464162 IJGBDSDDURRNRU-UHFFFAOYSA-N 405.486 1.556 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1612878306 SCZZCHBPIMZRSZ-CRAIPNDOSA-N 410.478 1.289 30 10 HDEE Cn1c(N[C@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)c(C#N)c(=O)n(C)c1=O 1613077969 GOLSPBCCIDPZHD-QEJZJMRPSA-N 403.483 1.546 30 10 HDEE CN1CC[C@@](O)(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2cccc(C#N)c2)C1 1618464304 BNPUYMZCFQYPPJ-UGKGYDQZSA-N 410.522 1.747 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1cccc(Cl)c1C)CC(=O)OC(C)(C)C 1619904090 ACECLDYSFKRBOW-UHFFFAOYSA-N 407.898 1.980 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CCS(=O)(=O)C(C)(C)C 1619911817 HZOABSUIABMMEL-UHFFFAOYSA-N 420.539 1.920 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OCC 1622145186 IVMAAXKFILKNFE-ZDUSSCGKSA-N 409.913 1.920 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)cc(Br)c1OC)C(=O)OC 1622226500 ULDVPTYZLMGAAE-JTQLQIEISA-N 410.673 1.954 30 10 HDEE C#CCN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cnc2c(c1)c(O)nc(=O)n2C 1622609210 GXDHWZDQFXLTSS-GOSISDBHSA-N 424.482 1.736 30 10 HDEE C=C[C@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 1623741113 HTPUFYXWTYOHOY-ICSRJNTNSA-N 421.545 1.919 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC12CCCC2 1624024020 ZLSGVCACVZVQEA-IBGZPJMESA-N 418.475 1.902 30 10 HDEE N#C[C@@H](CO)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1624090850 MRFPXHSTSYURDQ-LBPRGKRZSA-N 400.416 1.155 30 10 HDEE O=C(NCC#CCO)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1626174688 XSFHVRJNVPDOLH-NSHDSACASA-N 421.338 1.166 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O 1634126601 FSDRQNMWHOOULG-KGLIPLIRSA-N 411.890 1.678 30 10 HDEE C#CCN(CC(=O)N1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1)C(=O)OC(C)(C)C 1636105148 ZCLBKMODTSFYAS-SJORKVTESA-N 423.510 1.753 30 10 HDEE C#CC[C@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)OC 1637693994 QHFSZKITKIOQAZ-IBGZPJMESA-N 404.422 1.820 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)cc1S(=O)(=O)NCC#N 1637811970 BHRRLCCOJWVOLO-JKSUJKDBSA-N 417.491 1.181 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ncnc(O)c3Br)C2)nc1 1638910671 DRVNKJKXAHMZTA-LLVKDONJSA-N 403.240 1.928 30 10 HDEE C=CC[C@]1(C(=O)NCCN2CCC3(C2)OCCO3)CCCN1C(=O)OC(C)(C)C 1640987990 UGZODEIJPWGVLY-HXUWFJFHSA-N 409.527 1.897 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 1642023568 OCPGMSQADVVFGX-YPMHNXCESA-N 405.398 1.405 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1642506564 DEJLFCNIDXPMAC-QGZVFWFLSA-N 406.527 1.899 30 10 HDEE N#CCc1cccc2c1CCN(CC(=O)N1CCc3cc(S(N)(=O)=O)ccc31)C2 1644035469 DZUZHKRDVBFAHJ-UHFFFAOYSA-N 410.499 1.347 30 10 HDEE CCOC(=O)C[C@@H](O)C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937741 MWLAVAJHLQZEPV-GJMOJQLCSA-N 413.261 1.930 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(=O)CC[C@@H]3C)nnc12 1651247640 KPRLELJYEVRMEO-ZDUSSCGKSA-N 411.487 1.902 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Cn1ccc(C#N)cc1=O 1652103940 BDVOHGFHESZWNT-UHFFFAOYSA-N 417.263 1.888 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3nnn(-c4ccccc4)c3C(F)F)C2)c(=O)nc1O 1653760395 WGJMXOJWKAGPQV-UHFFFAOYSA-N 413.344 1.036 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc([C@H]3CCCN(C[C@H](O)CC#N)C3)[nH]n2)CC1 1654312975 ADORZIBDIDJXCA-DLBZAZTESA-N 418.542 1.921 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)Cc1noc(C2CC2)n1 1654700450 CZBADGUOXLGIMH-HNNXBMFYSA-N 400.508 1.849 30 10 HDEE CCc1nsc(N2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1657406657 HGHUBQHMJJLTAM-UHFFFAOYSA-N 409.515 1.912 30 10 HDEE CCCN(C(=O)CN1CC[C@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1659524511 BXTSPPLJIIVXIT-JOCHJYFZSA-N 424.505 1.558 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)CCc2cccc(C#N)c2)C1=O 1659865725 RAWPIMJQPXDDNF-HSZRJFAPSA-N 419.485 1.921 30 10 HDEE C#CCCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1661186656 YRQFKNQWHYKEPX-UHFFFAOYSA-N 410.492 1.950 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)cc21 1664929793 VUPROLDGPWNSTO-UHFFFAOYSA-N 406.446 1.759 30 10 HDEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nc1 1673890354 BGZGQUUKGIQCBB-UHFFFAOYSA-N 407.402 1.770 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCNS(=O)(=O)CC 1689845201 SDRILLUQPBMMAZ-OAHLLOKOSA-N 405.524 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1689850320 ZUOFWBVHOJFTCA-YJBOKZPZSA-N 406.490 1.862 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)OC(C)(C)C 1689852867 LUNJQOWKCXWYGR-UONOGXRCSA-N 411.528 1.163 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1689854514 BKWNCGCEAFFBIA-UXHICEINSA-N 409.582 1.995 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)c(OC)c1 1690019187 CITFAZRZQOBRIH-GOSISDBHSA-N 412.515 1.618 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N(C)C2CC2)CC1 1690142426 NXHXMZIESCFOIL-QGZVFWFLSA-N 423.565 1.732 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCOC2)C1 1690228076 MRRBMHJFWOYEHH-WBMJQRKESA-N 412.288 1.134 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690309849 MBHBFGCAABINEV-CVEARBPZSA-N 420.514 1.537 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1690372355 KRIWVJJQVGCILZ-QGZVFWFLSA-N 415.519 1.837 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1690994235 YNLVNFHEEVTICU-GQIGUUNPSA-N 402.499 1.448 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC1CCN(CCN(C)C)CC1 1691009934 ARZZIRSJHUYRCG-PKOBYXMFSA-N 403.575 1.999 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1694782658 WATIIHIMRIXMCE-QZTJIDSGSA-N 410.478 1.337 30 10 HDEE CCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1695029605 IFQUDDVYTLIHOQ-OALUTQOASA-N 401.446 1.918 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1696969227 YCYUKIHHHXKVTG-GOSISDBHSA-N 424.436 1.472 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCOCC(F)F)c1 1698484431 JIFQAEVVIWLWNR-FQEVSTJZSA-N 416.432 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@@H]2CCOC2)cn1 1705476380 YYRCKUAZHROYGT-DLBZAZTESA-N 411.510 1.373 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1705557969 FQUBHPOXRKVNOO-UHFFFAOYSA-N 419.576 1.984 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@](=O)CC)[C@H]1CCS(=O)(=O)C1 1705560018 HJOXVZCIVAFATJ-OKXMYEFYSA-N 400.570 1.187 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1705566723 PQTZTHNHCOPRFA-ZWKOTPCHSA-N 422.551 1.368 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)C 1705608259 KOMVOHHUSAZYAV-UHFFFAOYSA-N 407.482 1.295 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2snnc2C)CC1 1705636997 FTLVODOCAOIBOC-UHFFFAOYSA-N 409.519 1.917 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705757965 FQPGIEXFCVGWKG-INIZCTEOSA-N 419.917 1.947 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1705873623 PWOYVEFXOWEONI-FQEVSTJZSA-N 401.467 1.990 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(F)c1 1705901646 RUODCWPGRLWHBU-OAHLLOKOSA-N 416.457 1.316 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1706579595 AXYWISXBCWPVMK-GQIGUUNPSA-N 404.515 1.883 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 1707353780 DOGYEUJATFMDHD-GOSISDBHSA-N 405.480 1.136 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1708276812 UUFQIVFLSLIZSD-MJXNMMHHSA-N 416.413 1.835 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1711303393 SKLIOUGFVXRSBU-YOEHRIQHSA-N 423.521 1.550 30 10 HDEE C[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1712834049 PAKDDCKDADXRAL-PGVRVYGSSA-N 414.510 1.669 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1722330303 LHEAOGGSVJWTDQ-UHFFFAOYSA-N 402.524 1.614 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722334650 HTJUGLGCWLAKBR-IBGZPJMESA-N 408.506 1.505 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C(C)C)C(C)C 1722384862 YWEFZMAIYUIXNU-LJQANCHMSA-N 419.595 1.762 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCS(=O)(=O)C1 1722412671 NMCLIYDXBYUQFJ-INIZCTEOSA-N 412.519 1.411 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1722412790 DUICOVRSKWDDFF-QGZVFWFLSA-N 421.498 1.258 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCCC(C)C)CC1 1722436441 GNMMPYVAGWOBEA-GOSISDBHSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2CCS(=O)(=O)CC2)CC1 1722437026 ONLNUIZVMKDHNJ-UHFFFAOYSA-N 405.568 1.516 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)C 1722699948 QMVRTRSVTACGAO-UHFFFAOYSA-N 402.474 1.271 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)C1 1722718494 KVJMARQLKVJGNK-IAGOWNOFSA-N 420.539 1.167 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)CCOC1 1723689628 IEVONGFGJSMETI-PLMTUMEDSA-N 418.542 1.530 30 10 HDEE Cc1nc(CCn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)n[nH]1 1725456845 FVHOTHOYHKOJAW-UHFFFAOYSA-N 400.450 1.912 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2CC2CCS(=O)(=O)CC2)C1 1731180682 CCDGJUAWCKOCJR-LJQANCHMSA-N 418.498 1.531 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1740591582 PGSBOXUIMZHKOF-IAGOWNOFSA-N 410.540 1.224 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](C)C1 1740592234 UHLRUPYDVYQQAH-ZACQAIPSSA-N 409.556 1.507 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1740598506 SBTIFLFCJHFADA-UHFFFAOYSA-N 404.559 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1740678176 DJXVVEZFCYQYOK-ZWKOTPCHSA-N 401.511 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2CCOCC2)CC1 1740705811 MPKOBZMDLOUKJT-IBGZPJMESA-N 415.538 1.565 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1740823767 NWCKMUVQCWXPQI-QZTJIDSGSA-N 402.543 1.742 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)NC(C)C 1740902647 UPBXRNZILFBUFJ-UHFFFAOYSA-N 417.539 1.467 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)N(C)C)CC1 1740946318 IBQSGXMMWAHPFR-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)C[C@@H]1CCCOC1 1740991356 UWMIRXXKYTWFAL-DLBZAZTESA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC2(CCOCC2)C1 1740992894 VLAVOGWXSBXPQT-INIZCTEOSA-N 410.540 1.390 30 10 HDEE C[C@@](O)(CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1741949975 AGKCEFMOVHCAAV-XMSQKQJNSA-N 424.505 1.427 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H](C)CN1CCOCC1 1742835345 BMPFUVBRHVKKJD-GOSISDBHSA-N 409.538 1.753 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1743466376 NZXDQEDRFJTEFD-NRJQMVOHSA-N 424.505 1.605 30 10 HDEE CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 1745668238 CLINVGGRDDTARN-QGZVFWFLSA-N 418.523 1.529 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1746506249 XDOSTLKNNBJRSC-MOPGFXCFSA-N 424.505 1.699 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1747603183 FQTUVQMLRKKMKS-SFHVURJKSA-N 403.512 1.362 30 10 HDEE CN(CCn1cccn1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747968137 MVMVKOIPKAXIRS-ZPHPHTNESA-N 410.482 1.405 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1748647343 NAPRJIZPBAATAO-HNAYVOBHSA-N 410.540 1.213 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748678450 TXPZICJKNNCPIG-DOTOQJQBSA-N 422.455 1.985 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1748857990 IZXXNRYZMXTHPD-RBSBEOHCSA-N 410.499 1.775 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749082564 BSMZSNFFBRFOOR-INIZCTEOSA-N 411.304 1.184 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(OC)c1 1749487659 GJXANHIELPBKGY-QGZVFWFLSA-N 421.523 1.290 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2c(ccnc2N(C)C)C1 1749663950 UPNSEXVQGSMOKH-UHFFFAOYSA-N 419.493 1.061 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749760100 BWAHHMCKCYSOCN-HUUCEWRRSA-N 404.540 1.035 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1=O 1749873431 GJPSBSMKTFVZPX-IBGZPJMESA-N 424.505 1.537 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CCO1 1750013903 IGJZPYUWLGHMPW-ICSRJNTNSA-N 424.505 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)NC)c1 1760095429 OKYCXESELUSLDD-INIZCTEOSA-N 408.506 1.574 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1760130837 MVOYATSJGIFUJY-IRXDYDNUSA-N 404.515 1.362 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(=O)N1CCOCC1 1760155856 MLHUECPSJXSZDL-UHFFFAOYSA-N 421.505 1.225 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccc(C)n1)[C@H]1CCS(=O)(=O)C1 1760193006 QXGSHQACPZLDDH-SFHVURJKSA-N 417.535 1.387 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC(=O)NCCc1ccccc1 1760204700 ZNXWXYPHHMVCTI-UHFFFAOYSA-N 412.497 1.696 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)N(C)C2CCCCC2)CC1 1760257606 BCGSEUJQZBSELK-UHFFFAOYSA-N 423.565 1.830 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760504290 NODFRUMGLKPUBB-QGZVFWFLSA-N 419.551 1.865 30 10 HDEE C[C@@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N(C)C 1763244315 KOHXNQYLOJZUIL-APWZRJJASA-N 407.522 1.968 30 10 HDEE CC[C@@H]1CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1763351246 DRQZJENDHOEYIM-SJTPKYKMSA-N 414.510 1.935 30 10 HDEE CN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1766963223 FEVKMCWRTBUKDV-CYBMUJFWSA-N 400.464 1.420 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC[C@H]1C 1769086053 NPMNKCSMVJHTOI-PBHICJAKSA-N 418.523 1.227 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1770787205 SIHVEBIWWSKUHB-HOTGVXAUSA-N 400.414 1.442 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771164562 IJDAKIDTQYPYCX-KBPBESRZSA-N 423.495 1.138 30 10 HDEE CC(=O)N1CCN(CC(=O)OC[C@H](C#N)Cc2ccc(Br)cc2)CC1 1850444482 QUMWDHMWIBYCDA-INIZCTEOSA-N 408.296 1.839 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N([C@H]3CCc4ccccc43)C2)c(C#N)cc1C#N 1850722379 AJBSQOSUAXSJDG-WMZOPIPTSA-N 401.426 1.730 30 10 HDEE COc1ccc(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1OC 1851112143 SOXJEIDAFCAZAN-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2cc(=O)n3ccccc3n2)cc1 1852226155 URJHZPQNMRAGEI-OAQYLSRUSA-N 420.469 1.863 30 10 HDEE COCCN1CCN(Cc2ccc(C(=O)Nc3nccc(OC)c3C#N)cc2)CC1 1852421987 QTNCGIQKRNFCBP-UHFFFAOYSA-N 409.490 1.978 30 10 HDEE N#CCc1ccc(NC(=O)CN2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)cc1 1852564442 TVRZYDHPDFDXHU-UHFFFAOYSA-N 406.490 1.682 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C(=O)C12CCCC2 1853676480 MNWBCNGWNGEMSN-INIZCTEOSA-N 409.490 1.912 30 10 HDEE Cc1cc(CC(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)no1 1854201747 FKKBMPQBCVKQBO-HXUWFJFHSA-N 407.474 1.343 30 10 HDEE Cc1cc(CN2CC[C@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)C(=O)C3)C2)on1 1854233032 GWGQNVDMIBBCMI-IBGZPJMESA-N 407.474 1.343 30 10 HDEE COc1cc2ccccc2cc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854723245 UBFVYSVPNOLZQE-CYBMUJFWSA-N 401.444 1.375 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N(C)Cc3ncnn3C)ccc21 1854800558 JHYPLSXFQGWNKF-UHFFFAOYSA-N 417.491 1.408 30 10 HDEE COc1ncc(C(=O)N2C[C@@H](CN(C)CCC#N)CC2=O)c(C)c1Br 1855750099 YXKQDEHXUUXMBL-GFCCVEGCSA-N 409.284 1.995 30 10 HDEE CCc1nccn1CCC(=O)N1CCN(CCOc2ccc(C#N)cc2)[C@@H](C)C1=O 1855928503 JQDAPBYHBCXZMX-KRWDZBQOSA-N 409.490 1.846 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857066949 BHICWUBPTORTGE-WBVHZDCISA-N 414.506 1.651 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nccc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857263454 GRJBWZCPVDFXMT-APWZRJJASA-N 406.486 1.942 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cccc3)C2)CC1 1857380895 IYZGMKWLAPMHRS-SFHVURJKSA-N 406.490 1.342 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)ccn1 1857439150 GIMJOFHGCORRPG-SJORKVTESA-N 410.409 1.167 30 10 HDEE C=C(C)CN1c2ccccc2N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@H]1C 1857474582 JSILJRPRRZVDFD-KDOFPFPSSA-N 419.503 1.324 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2ccccc2F)C1 1861199094 ZGEJXRSJYUPSLJ-WMZOPIPTSA-N 404.486 1.090 30 10 HDEE C[C@@H]1c2ccc(C#N)n2CCN1C(=O)[C@@H](CCC(N)=O)NC(=O)OCc1ccccc1 1866361752 HPRVWASLRJKKHQ-CRAIPNDOSA-N 423.473 1.823 30 10 HDEE CSCC[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866588624 SHRSGDZWZLFJCM-GOEBONIOSA-N 409.533 1.559 30 10 HDEE CC(=O)Nc1cccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)c1 1870152272 JVOOEHSVSXOXTP-UHFFFAOYSA-N 403.402 1.466 30 10 HDEE C=CCNC(=O)c1nonc1OCC(=O)Nc1sc(C)c(C)c1C(=O)OCC 1872713728 GIMRESOHJCFJNG-UHFFFAOYSA-N 408.436 1.858 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(O)c(OC)c1 1874471323 YRORQYNBZNBLGE-RGVLZGJSSA-N 407.496 1.682 30 10 HDEE CN(C)CC#CC1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)CC1 1889677331 UNVPQJCUVWVOGO-QGZVFWFLSA-N 414.575 1.963 30 10 HDEE CC[C@H](C)[C@H]1NC(=O)[C@@](O)(C2=Cc3c(oc(C)c(C)c3=O)[C@@](C)(CC)C2=O)C1=O 2069682324 VBTZAIPQSNXYCM-BNASQZODSA-N 401.459 1.735 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2076821654 PRULAJGGUSCXBC-SUMWQHHRSA-N 419.316 1.642 30 10 HDEE C=C(C)CN(CC)C(=O)CS(=O)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195345908 NCLJUQZSIAKVOU-CYBMUJFWSA-N 406.501 1.194 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(=O)N(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217467744 JDVLULPQEPOPCK-CYBMUJFWSA-N 419.287 1.800 30 10 HDEE CO[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243393985 BLXQNVUMZGPSLZ-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243429773 ICFQKPRJVYZHOA-UHFFFAOYSA-N 410.320 1.963 30 10 HDEE CN1C[C@H](NC(=O)OC(C)(C)C)[C@@H](Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247660232 IOUOFADIOPIXGK-GJZGRUSLSA-N 419.331 1.967 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247813081 IVYLZKLTTLYENG-OLZOCXBDSA-N 420.319 1.600 30 10 HDEE C[C@@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247912966 OHPYKEXAWKCMEJ-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cn1ncc(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247916095 POOAJBDJYXPPKI-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248413224 UDPIGHCAAIPGRB-WFASDCNBSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)OC1(C)C 2255626940 MBLDILRHMQGOLM-QZTJIDSGSA-N 422.338 1.913 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2258140398 CBRDKGLHVAPUMS-SJORKVTESA-N 408.476 1.176 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258186016 ZTFCGIWJXVOVQU-OAHLLOKOSA-N 409.464 1.321 30 10 HDEE C=CC1(NS(=O)(=O)c2cc(C(=O)OC)cs2)CN(C(=O)OC(C)(C)C)C1 2265642448 CTBUMFWLGMHHNA-UHFFFAOYSA-N 402.494 1.989 30 10 HDEE CN(C)CCN(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354679 QPCNMLMRCWAHHZ-UHFFFAOYSA-N 408.782 1.883 30 10 HDEE COc1nnc(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)s1 2267372881 VMIBCLDSZOYDEW-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H](F)[C@H](O)C3)cc2Cl)OC1(C)C 2267417695 YGDGXOFFHUFOMY-VHSXEESVSA-N 411.713 1.404 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2COCC2(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282306548 ORQSCPCUXQKFKC-SNVBAGLBSA-N 409.285 1.668 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CO)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282307529 DOOYEZJYIRBFRF-SECBINFHSA-N 415.264 1.557 30 10 HDEE CCN1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282332242 YEGSXIRNBTVSEL-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CN(C)C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333867 UILNGZQPHKPCSG-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@H](N)C3)ccc2Cl)OC1(C)C 2282491073 JZOXBHQNWZMALV-NWDGAFQWSA-N 400.737 1.797 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCN2CCCCC2)OC1(C)C 2282498910 LAVOVYQAAXKRMU-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](N)C[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282500970 QMSVHTDJLCACAT-GWCFXTLKSA-N 400.375 1.774 30 10 HDEE Cc1sc(C)c(S(=O)(=O)Nc2nc(O)n[nH]2)c1B1OC(C)(C)C(C)(C)O1 2282508374 VSELMQNRACDOFY-UHFFFAOYSA-N 400.291 1.289 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O 2282581391 HJHIDGJLILFQOY-MWLCHTKSSA-N 402.347 1.302 30 10 HDEE CN1CCOC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282611216 IGFOHSURNQHXSN-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282841028 RMNZUGPTFGWEFU-QWHCGFSZSA-N 419.399 1.597 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCCNC1 2282843736 RMNYHFLJXBIFTK-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE C[C@H]1C[C@H](O)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876009 WZGRLPSZRDVRHV-RYUDHWBXSA-N 401.721 1.783 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)O1 2282877525 SJRYVAOOZZYZMX-STQMWFEESA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCC[C@H]2CO)OC1(C)C 2282878551 HQEIIUAQVJDMHM-OLZOCXBDSA-N 401.359 1.734 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284406695 BGRQFDMYFCFJFK-SNVBAGLBSA-N 421.371 1.450 30 10 HDEE COc1cccc(C(=O)C=CC(=O)N[C@@H]2CCCCN2[C@@H]2C(=O)CSC2=O)c1 2320940928 XXQMEBCUDJYECU-PKOBYXMFSA-N 402.472 1.573 30 10 HDEE C#C[C@@H](C)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2336950379 GFBBUYGDJBITIB-MRXNPFEDSA-N 417.531 1.278 30 10 HDEE C#CCNC(=O)CN[C@]1(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2351389869 RCCFDECEYQCAJQ-DYESRHJHSA-N 401.463 1.216 30 10 HDEE COC1(C#C[C@H](N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363539852 QXGASLWHSRWANT-JKSUJKDBSA-N 400.541 1.701 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2365205187 SIBAGJQYLXUPDE-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2365206884 JWYVBNKQZWVHME-KHYOSLBOSA-N 402.557 1.409 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](Cc1ncns1)NC(=O)OC(C)(C)C 2365213661 VZLWHVOQMIXMEV-STQMWFEESA-N 416.569 1.389 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCCOC)NC(=O)OC(C)(C)C 2367805176 ZDUIOCFIADUMHT-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CCNC(=O)OC(C)(C)C 2367808516 CZHCBMJURNVCDP-HOTGVXAUSA-N 402.557 1.601 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367818261 MIKGLCOLRPHDBK-KXBFYZLASA-N 400.541 1.307 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)OC2CCCC2)n[nH]1 59888063 XPXVVSYYACXCCT-GIJQJNRQSA-N 407.500 1.634 30 10 HDEE CC(C)N(C[C@@H]1CCCCN1CCN)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208089488 TYSMGRMYPAWJCH-SFHVURJKSA-N 403.380 1.804 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1)n1cnc(C#N)n1 409838549 YIGQFMNQYQOVNA-GFCCVEGCSA-N 421.274 1.957 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccn(C2CCCC2)n1 432318949 WBNODRDTLNDXHG-CQSZACIVSA-N 401.492 1.853 30 10 HDEE Cn1nccc1[C@@H]1CCCCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 440239246 JANHMXPFLNMASK-SFHVURJKSA-N 421.436 2.309 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2c(F)cccc2F)CC1 445642783 PZDKFKMBNDVEJS-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 448375900 PQXRUHGXHJQMBC-UHFFFAOYSA-N 402.495 1.381 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 463530626 CRWYNQVTXVGFGX-RWQQGDIJSA-N 413.430 1.662 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cc(C#N)ccc3Cl)CC2)CC1 475818937 LOVNOZVDIOQONE-UHFFFAOYSA-N 424.954 1.776 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 477046773 SNJJJDGDYGOQCS-UHFFFAOYSA-N 422.413 1.143 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482185059 XHZQNSIPQKOVGD-YOEHRIQHSA-N 406.508 1.084 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2c(C)nn(CC(F)(F)F)c2C)CC1 486922797 BOGDHVPQIHWENJ-UHFFFAOYSA-N 401.433 1.051 30 10 HDEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1ccccn1 488899478 OSDLRSRSGDLVAJ-CYBMUJFWSA-N 400.508 1.744 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1F 489867910 CVWDNOGTAWOPEI-CABCVRRESA-N 415.446 1.895 30 10 HDEE Cc1nc(Cn2cc(C(=O)N[C@H](C#N)c3ccc(Br)cc3)nn2)no1 494610928 GDUYSSHRWGERBU-GFCCVEGCSA-N 402.212 1.775 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 508825448 FHCHRBMHFKEKQB-CYBMUJFWSA-N 423.461 1.576 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 508827071 PTVGCUAYTOMUDQ-KRWDZBQOSA-N 400.439 1.787 30 10 HDEE CCC(=O)N[C@@H](CCSC)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 509723735 GLJDZKAYAANZMD-IRXDYDNUSA-N 402.520 1.818 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]3CCCO3)c2=O)cs1 514492378 UJLCZYUAWVQOCL-AWEZNQCLSA-N 417.556 1.972 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)OCCO3)c1=O 523651659 GDHLWTQZMUIVLU-UHFFFAOYSA-N 410.495 1.963 30 10 HDEE Cc1cc(NC(=O)NCCOc2ccc(C#N)cc2)n([C@@H]2CCS(=O)(=O)C2)n1 524706508 HMIDMCSEZOOWGZ-OAHLLOKOSA-N 403.464 1.623 30 10 HDEE C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 532739004 MZJWMOOQNVTCFJ-FUHWJXTLSA-N 407.474 1.420 30 10 HDEE C=CCN(C(=O)CN1CCc2cc(OC)c(OC)cc2C1)[C@H]1CCS(=O)(=O)C1 532891303 IVALFSDJKSYOHW-KRWDZBQOSA-N 408.520 1.264 30 10 HDEE C=CCNC(=O)CNC(=O)N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1 540757357 QCEYLTLGLMKVBE-NSHDSACASA-N 405.808 1.934 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(C(=O)NC4CC4)c3)CC2)n1 546216564 LAJLIDMZHMQHAU-UHFFFAOYSA-N 404.474 1.877 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 554287537 CJTSZALWGOZSCO-RTBURBONSA-N 404.470 1.683 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2c2nc(=N)n(C)[nH]2)n(Cc2ccco2)c1C 556085196 RMNRFECLVFRICL-KRWDZBQOSA-N 422.493 1.935 30 10 HDEE COc1cc(CNC(=O)Nc2cc(C)nn2[C@H]2CCS(=O)(=O)C2)ccc1C#N 572566033 WOHGFFHZERGBOF-HNNXBMFYSA-N 403.464 1.753 30 10 HDEE Cn1ncc2c(O)nc(-n3nc4c(c3NC(=O)c3ccc(C#N)cc3)CCC4)nc21 585184534 VEZJBRRUXAESKJ-UHFFFAOYSA-N 400.402 1.867 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 604164280 HUEVGFRUDUSFQX-UHFFFAOYSA-N 408.424 1.686 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)NC3CCN(c4ccc(C#N)cn4)CC3)C2)cn1 610349777 AAYZBSMIWVMQNL-SFHVURJKSA-N 408.510 1.624 30 10 HDEE Cn1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1C(F)F 611162940 AOQPLJFTWTWAAF-UHFFFAOYSA-N 424.433 1.768 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727417349 CGOGSFPJSQKJIB-UHFFFAOYSA-N 402.435 1.169 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(OCC#N)cc2)CC1 731212696 RTWMGVRXNFAABD-UHFFFAOYSA-N 400.504 1.819 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 732217972 TUHAKRNTRZIOFX-CYBMUJFWSA-N 411.423 1.537 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN(C(=O)NCC(C)C)C1 741438427 IESACYQPPLUIPY-INIZCTEOSA-N 406.508 1.749 30 10 HDEE C#CCN(CC#C)C(=O)CSCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 752150112 KLSSGJLDKOMDEV-UHFFFAOYSA-N 410.499 1.251 30 10 HDEE COC(=O)[C@H](OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccc(C#N)cc1 753511630 FTBZWGXVSZGETF-MRXNPFEDSA-N 406.416 1.781 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 758771156 ZEMKHRGPGVRCKV-IKGGRYGDSA-N 419.526 1.789 30 10 HDEE Cc1nccc(N2CCN(CN3CC(=O)N(Cc4ccccc4C#N)C3=O)CC2)n1 758972020 DMCIGHXAVQPYBX-UHFFFAOYSA-N 405.462 1.201 30 10 HDEE Cc1sc2nc(COC(=O)CCN/C(O)=C3\N=CC=CC3=O)nc(N)c2c1C 771978919 QWLHQEXEYFMPHX-BMRADRMJSA-N 401.448 1.850 30 10 HDEE C#C[C@@H](C)N1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 774284111 KNPHCLBVJBJFLJ-QAPCUYQASA-N 411.531 1.969 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)cc1 777343307 RZXCTQNWZCCTKI-GOSISDBHSA-N 412.471 1.392 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NS(=O)(=O)CC(C)(C)C#N 778335268 MOSOPGFPUCQPKQ-KRWDZBQOSA-N 405.520 1.982 30 10 HDEE C#Cc1ccc(C(=O)N2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cn1 780568331 XNEFLROLYUWBNU-IBGZPJMESA-N 406.490 1.058 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780855897 LHXZGDPEBJILPF-IBGZPJMESA-N 401.488 1.939 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)CC(F)(F)C1 787825496 QTNVAANOKQFLSD-OCCSQVGLSA-N 415.462 1.368 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)n1 788815876 ZRTZWXUCPMUZTR-QZTJIDSGSA-N 411.506 1.814 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(C(=O)c3ccncc3)C2)n1 788818815 AAANBZWXBBASCX-IBGZPJMESA-N 409.490 1.439 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nc(O)c3cc(OC)c(OC)cc3n2)n1 789322534 MDKYYKYEIXYWEH-UHFFFAOYSA-N 411.462 1.831 30 10 HDEE Cn1ccnc1[C@@](O)(CCNS(=O)(=O)Cc1ccc(C#N)cc1F)C(F)(F)F 790852281 IXBIHULFFMENQW-HNNXBMFYSA-N 420.388 1.690 30 10 HDEE C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 792405650 AFEBHDUQELENGP-MFOYZWKCSA-N 407.536 1.266 30 10 HDEE Cn1cc(C#N)cc1C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 792675267 KJRFWKJYFCTPGS-UHFFFAOYSA-N 413.482 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(S(=O)(=O)N3CCO[C@@H](C#N)C3)C2)C1 801712878 ORWHFZFGZOLNHZ-YJBOKZPZSA-N 414.528 1.179 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)C1=O 803594619 QBEYDIRHFOCECF-YJBOKZPZSA-N 412.490 1.236 30 10 HDEE CNC(=O)c1ccc(CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C2CC2)cc1 804158506 XHQJVOLPVPTCNM-UHFFFAOYSA-N 408.433 1.864 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 918970812 ZVZXZGRRCNINHF-ROUUACIJSA-N 422.503 1.478 30 10 HDEE CN(CC(=O)NC1(C#N)CCCCC1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 920256425 GFINZKJPXHJELV-UHFFFAOYSA-N 421.542 1.340 30 10 HDEE C=CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)C(=O)OCC 1116587033 FLFYPEHZBIDYCD-HNNXBMFYSA-N 412.512 1.051 30 10 HDEE CCOC(=O)c1c(NC(=O)c2coc3c2C(=O)NCCC3)c(C#N)cn1CCOC 1125001190 BMOFHWPGUHVTQQ-UHFFFAOYSA-N 414.418 1.704 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2 1127024886 OAAKIPQINGSBDK-MMPOEDRJSA-N 408.204 1.955 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129020845 BUNFWSKQXFNIDN-KBXCAEBGSA-N 403.545 1.776 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)CNS(=O)(=O)c2ccccc2F)n1 1141793159 GASWHJNHJVNMAR-UHFFFAOYSA-N 400.395 1.195 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)CC1 1147909707 GXUFXSKNQFIBAI-YCRPNKLZSA-N 418.494 1.131 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1 1152967582 LVMZPEHNPSBHHH-UHFFFAOYSA-N 414.487 1.444 30 10 HDEE COC(=O)[C@H](Cn1cncn1)NC(=O)c1cccc(OCc2ccccc2C#N)c1 1157278809 LGZCWESIATVXLM-IBGZPJMESA-N 405.414 1.700 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1159860158 RNMVELUMTOMDLK-QMTMVMCOSA-N 417.934 1.364 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1178199018 VKSFPZHVPUBQEN-UHFFFAOYSA-N 412.483 1.390 30 10 HDEE Cn1ncc(I)c1CNS(=O)(=O)c1ccc(C#N)s1 1193998684 NIXIVAUWBJKIHT-UHFFFAOYSA-N 408.246 1.436 30 10 HDEE C=C(C)CS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1195601650 CBMZSROBBWSLLQ-CYBMUJFWSA-N 420.272 1.670 30 10 HDEE CCn1cnnc1CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1222415687 AODZSVSJJTYYKS-UHFFFAOYSA-N 405.466 1.592 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)CS(C)(=O)=O 1248376343 WXTOQQSQNIZZRA-MRXNPFEDSA-N 406.508 1.029 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)cn1 1272469574 JQVTXYIHMQJGRJ-WBVHZDCISA-N 410.396 1.570 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1cccc(C(F)(F)F)n1 1286371772 DGWBEPUYGDYWQG-LBPRGKRZSA-N 408.384 1.791 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286389336 IFDGEZJDXAQWIE-HZPDHXFCSA-N 419.551 1.436 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCOCC2)CC1 1286472730 DLHMASLZNGGNQL-UHFFFAOYSA-N 411.506 1.250 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286509605 ULVMQPJRYHHMIT-GOSISDBHSA-N 417.579 1.987 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1286607621 SZOCHVKXAGKAKB-KRWDZBQOSA-N 422.555 1.675 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](n2cncn2)C1 1286786638 IBXYVIJCHOIQCS-MRXNPFEDSA-N 407.482 1.384 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1287007461 NYHZRDRTVCFVRE-KRWDZBQOSA-N 412.494 1.916 30 10 HDEE C=CC[C@@]1(C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1289742351 QHDJUPAWMXNQKE-ZSDSOXJFSA-N 424.494 1.753 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CN(C3CCOCC3)C2)cc1 1291650230 NRQMLNMMZYOOJL-ZBJSNUHESA-N 420.535 1.549 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2nc(N)nc(N3CCOCC3)n2)cc1 1292107772 LOKCAVWKYZUYQK-UHFFFAOYSA-N 423.477 1.357 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(C3CC3)[C@@H]3CC(=O)NC3=O)C2)C1 1292415626 DNWMAGHUFSNGRK-XMXFCCBSSA-N 416.478 1.179 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N 1294124072 SXCOCTBPHFPGIE-CQSZACIVSA-N 400.298 1.403 30 10 HDEE CC[C@@H](CO)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1295241510 WXNUVBQPBLKNFN-KRWDZBQOSA-N 421.339 1.672 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1297029267 DWZVHBAWNWBACK-DLBZAZTESA-N 406.479 1.983 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1 1300368279 TXBSLIFJFSQNOR-GOSISDBHSA-N 400.552 1.958 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](CC)C1 1300412225 ZLPAPVQPLUNOGK-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1COCCO1 1300522299 ACOGLVRIAPAJJN-GOSISDBHSA-N 410.474 1.841 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1 1300538616 SUSFLVOYBLYELQ-ROUUACIJSA-N 412.515 1.721 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCOC2CCOCC2)CC1 1300700280 NXNWZCWCERWSMC-SFHVURJKSA-N 403.527 1.123 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2nccs2)CC1 1300722350 JCFKPOVRGIBLOF-INIZCTEOSA-N 414.535 1.990 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1300839051 CGCGONNLGGKTFH-JSGCOSHPSA-N 418.299 1.891 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1301187751 BMZMOLGPJUVZSV-DLBZAZTESA-N 409.556 1.057 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)cc1 1301301227 HIFKDOGVGHVQBW-IBGZPJMESA-N 418.519 1.470 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@@H](C)O1 1301374919 NZYDGOJCELXODK-QRFQSNJMSA-N 424.505 1.535 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)S[C@H](C)C1 1301497486 YAOQEZVSNWMKHF-BETUJISGSA-N 418.523 1.638 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1301520033 TXGFIMUZLNDJPT-GOSISDBHSA-N 415.494 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1301585806 BKPPAOIGVCPTBK-WMZOPIPTSA-N 419.551 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1301588800 JNPGKDGWFQCVLL-BRWVUGGUSA-N 411.572 1.302 30 10 HDEE Cn1ncc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1I 1301639076 BFNBXHKXZMSJES-UHFFFAOYSA-N 407.215 1.833 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@@H](C#N)C1 1301915973 GENDECCOYKJOMW-AWEZNQCLSA-N 406.849 1.993 30 10 HDEE COCCOCCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1302224109 ZDAFADQKYHYQRG-OAHLLOKOSA-N 421.885 1.999 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1302451961 OHEWONXIWQCCJZ-JOCHJYFZSA-N 423.521 1.503 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1303111613 LIWNNDSOZXKZPF-IERDGZPVSA-N 401.463 1.776 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N1CCc2ccccc2C1 1314402401 AAUVYFCHLRSHDM-FXAWDEMLSA-N 410.522 1.990 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1314890860 PMHFCAWCROTTRY-QGZVFWFLSA-N 408.466 1.521 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)C1 1320322274 UPFIQXGTPWTDJY-FQEVSTJZSA-N 414.550 1.609 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 1321027452 BTHQGZWLNYJQHI-ZCXUNETKSA-N 414.428 1.824 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2C)C1 1322675835 UEINWVSOXHJKKB-INIZCTEOSA-N 405.524 1.726 30 10 HDEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)ncc1C#N 1349123200 JUXJELXIQUJPSI-UHFFFAOYSA-N 402.451 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC=C 1358877898 MGFJXKZZIUQNLX-AWEZNQCLSA-N 403.464 1.912 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1358962848 YDVYUTAPHLMCOH-MJGOQNOKSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC(C)(C)C 1358968712 WAHBCSWKSSPDQL-UHFFFAOYSA-N 407.478 1.303 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1Cc1cccnc1-n1cccn1 1359022562 FFSZEMROOVQPRK-UHFFFAOYSA-N 402.462 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2CCS(C)(=O)=O)CC1 1359030086 NVCHXRVMOQQNOF-LJQANCHMSA-N 415.563 1.620 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cc2)CC1 1359030972 LQJWZQSUTJSEAQ-QFIPXVFZSA-N 413.497 1.873 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C)cs2)CC1 1359038528 ZFTWVVBHKYXTIE-UHFFFAOYSA-N 410.551 1.708 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCn2nc(C)nc2C1 1359302359 DUZUPCTUXNXGPP-UHFFFAOYSA-N 422.493 1.100 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359330000 CFBHLTUDMWPUPZ-RCCFBDPRSA-N 417.535 1.660 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nnc(-c3c(F)cccc3F)s2)C1=O 1438287301 QMNCXYSHEZWHKJ-UHFFFAOYSA-N 407.358 1.399 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1438601442 JRJBCVSSDMIVSO-UHFFFAOYSA-N 407.492 1.780 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CC(Oc4ccc(C#N)cc4)C3)CC2=O)cn1 1447469751 BBCPJVLTOAKIKH-INIZCTEOSA-N 409.446 1.044 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1454853878 AFFBAUWXHZTVIK-MQOXYSBPSA-N 421.494 1.468 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1ccc(COc2ccc(C#N)cc2)o1 1455059056 BJKAUQPEEBZZBW-MRXNPFEDSA-N 400.387 1.765 30 10 HDEE C[C@@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN1C(=O)OC(C)(C)C 1457205004 XXNVFRDCRXBONI-CHWSQXEVSA-N 417.466 1.239 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1460861508 RNKLYCDHILYBMS-YLJYHZDGSA-N 406.490 1.459 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1461932187 NDEXRAWVSFRWKW-INIZCTEOSA-N 414.474 1.910 30 10 HDEE CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H](C)CS(C)(=O)=O 1465146313 JTXHKOCWFZCNFL-OAHLLOKOSA-N 400.541 1.919 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC)[C@H](O)c1ccccc1F)c1cc[nH]n1 1465918047 KZHHXTLSEYNQFE-KBXCAEBGSA-N 406.414 1.461 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1467225442 WHAZAOADRIDEJY-HNNXBMFYSA-N 411.505 1.209 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)nn1 1469216554 XIEMLUGVBWIQBY-UHFFFAOYSA-N 409.450 1.492 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)nn1 1470584758 UZMDOYNHMRORMQ-UHFFFAOYSA-N 402.406 1.366 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O)C2 1471144306 LLSCSHSZGVSKLC-CQSZACIVSA-N 407.352 1.349 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1)C(=O)OC(C)(C)C 1471271520 MNQGGCUWULTJAJ-UHFFFAOYSA-N 414.462 1.225 30 10 HDEE C=CC[C@H]1CCN1C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1472261241 HMCYJYUMSRRVBW-KRWDZBQOSA-N 405.520 1.477 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCn3cnc(C(F)(F)F)c3C2)c1 1472614214 JMACDFSJZOFRPM-UHFFFAOYSA-N 413.381 1.094 30 10 HDEE C=CC(C)(C)CCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1475528715 WSTCUGFZFMTWLD-UHFFFAOYSA-N 416.565 1.897 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCCN(C(=O)C(F)(F)F)C1 1479620968 QGNZRMBRRUMGER-HZPDHXFCSA-N 402.461 1.916 30 10 HDEE CN(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1503405363 VDXBYXJAALYAFZ-SFHVURJKSA-N 411.510 1.315 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1503704149 DXROLEFOPIFOIW-KXBFYZLASA-N 409.538 1.975 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1)OC 1504578584 DEFMHMCBMHBWHB-ZWKOTPCHSA-N 401.467 1.330 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC(O)CC2)C1 1505314324 BNEHTPYIRJHJBZ-XLIONFOSSA-N 406.506 1.808 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1507591275 IYIMCQZGVQTVEJ-MRXNPFEDSA-N 412.454 1.589 30 10 HDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507593578 CEPVSNRDCJCSMW-LJQANCHMSA-N 411.506 1.437 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1507608532 KKCUJOWPSULDRH-FBMGVBCBSA-N 411.853 1.589 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632207 JSUPNZFZNJPOLL-TVFCKZIOSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1507635088 PKZSBGJWLQNYMC-QGZVFWFLSA-N 406.552 1.674 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOCc2ccc(OC)cc2)CC1 1507736775 SXTAVHSUBVPQFT-UHFFFAOYSA-N 411.506 1.778 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCn3ccnc3C2)CC1 1507742781 PYPZGQHIMZCLTE-GOSISDBHSA-N 423.565 1.902 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507861215 DZCSKRIQEPYHGB-HNNXBMFYSA-N 415.929 1.882 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC1CC1 1509683249 HQTNEPRIFBXPIQ-CQSZACIVSA-N 409.498 1.203 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1512285410 GGAFTZKRHJKXPH-OAHLLOKOSA-N 403.508 1.724 30 10 HDEE CCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCC1 1514359211 CGQFODSQQYEIHL-JKSUJKDBSA-N 407.540 1.879 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1516220892 FWGUMOAMEHXBHP-CKEIUWERSA-N 413.425 1.083 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC3CCC(CS(C)(=O)=O)CC3)CC2)o1 1523332465 FTBVNSQZECIGGW-UHFFFAOYSA-N 408.524 1.791 30 10 HDEE CC(C)(CNC(=O)COc1cccc(Br)c1C#N)NS(C)(=O)=O 1530283668 IEPMNCDAGRAPQI-UHFFFAOYSA-N 404.286 1.144 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc4c(c3[N+](=O)[O-])OCCCO4)CC2)nc1 1534774641 VUGLRNDYLCMVOJ-UHFFFAOYSA-N 409.402 1.985 30 10 HDEE Cc1cc(=O)n(CC(=O)NC(C)C)c(C)c1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1535798819 FHPNRABIZFOVEW-IBGZPJMESA-N 406.486 1.759 30 10 HDEE N#C[C@@H]1CN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CCN1Cc1ccccc1 1537881485 GQPAIVSQFPPESQ-GOSISDBHSA-N 402.520 1.181 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)n1cnc(C#N)n1 1539143660 JYTJQLLXOXDQJD-CIUDSAMLSA-N 412.294 1.311 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1539350563 QEJFNJBCJXIRSP-LJQANCHMSA-N 420.560 1.676 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC=C 1539556872 JKFXZZFFUUYSBN-QFBILLFUSA-N 407.540 1.569 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(OC)CCOC1 1540162902 UDFLGCHZVOHISH-OAQYLSRUSA-N 422.493 1.905 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)C)C1 1540198635 OGVDARCZKVBEAI-MSOLQXFVSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)S[C@H](C)C1 1540862293 XUKYLEACLFBLEQ-OKILXGFUSA-N 408.572 1.829 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1541801907 GXIDUWIUMGACTL-CRAIPNDOSA-N 423.521 1.912 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C 1541864985 GUVLVUYWBJQWOV-BTYIYWSLSA-N 411.510 1.381 30 10 HDEE Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543241198 JEMKKEUBQSMYKC-PNBGARPFSA-N 422.489 1.908 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1554577219 GJLQFPKZGKKFET-WMZOPIPTSA-N 424.505 1.869 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C)C(=O)OC 1556375361 HRVKPHPYPCSJKV-WBVHZDCISA-N 420.462 1.919 30 10 HDEE Cc1nc2ccccn2c1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1558725399 IGTVYMWMLGXZED-UHFFFAOYSA-N 411.487 1.778 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(SC(F)(F)F)c2)CC1 1563145897 XBFYIYSTSCIQEZ-UHFFFAOYSA-N 422.454 1.916 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCC2)CC1 1564947211 HMNJHRJMTPIFTM-UHFFFAOYSA-N 421.479 1.613 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CC2)c1C#N 1567646315 XKLXJPAHVWYMSY-IBGZPJMESA-N 421.505 1.405 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCc2c(nc(C)n2CCO)C1 1568812891 HXLQKBJSJAXFJF-HZPDHXFCSA-N 404.511 1.464 30 10 HDEE C[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)N1C(=O)c2ccc(Br)cc2C1=O 1585431301 BWBQVAYVFKZLRD-DYZYQPBXSA-N 406.236 1.575 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cccc(C#N)n2)C1 1585913921 ZESNEPAMBZGYPF-KZULUSFZSA-N 406.464 1.173 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1588073724 CCHHGRNGVXDMKZ-KZNAEPCWSA-N 421.567 1.241 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1C 1588628607 LQHVXRSWIQDKFJ-HOTGVXAUSA-N 415.494 1.764 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1593650072 KDNQQAFEKJYKQV-IBGZPJMESA-N 409.538 1.583 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](COC)C1 1593763340 HHGDZAAFJPSFOV-RBUKOAKNSA-N 418.542 1.973 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1593777000 SVGKRINNZIJXIO-RYRKJORJSA-N 407.515 1.262 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(c2cnc3ccccc3n2)C1 1593889791 QOGWPJDQTZBJTR-AWEZNQCLSA-N 421.482 1.794 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C(F)(F)F)O[C@@H](C)C1)c1cc[nH]n1 1594213080 KKOMJAIZFBGINS-CMPLNLGQSA-N 406.361 1.262 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1594963096 PWWUZQNNOSHYKK-AWEZNQCLSA-N 403.574 1.375 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595672441 AXGOMAXTMNBISG-HZPDHXFCSA-N 411.572 1.638 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1 1595790420 LHQVZPVUVFARGH-FGTMMUONSA-N 406.571 1.426 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1596184741 RUKYKVFENQKASZ-SFHVURJKSA-N 421.505 1.400 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(Cn3cncn3)CC2)n1Cc1ccc(C#N)o1 1608390813 NPDBLYGYFBWWCG-UHFFFAOYSA-N 423.481 1.437 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2CCN2C2CCOCC2)ccc1F 1617550807 OJEGRGXTYULKMT-MRXNPFEDSA-N 411.499 1.273 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnccn2)C1=O 1618458189 KZWATJUQXYXJDV-OAQYLSRUSA-N 402.462 1.721 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCC(=O)N1 1619913531 GJFQQQQJUNRJSF-MRXNPFEDSA-N 422.493 1.162 30 10 HDEE COC(=O)C1(C2(O)CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)CCC1 1620647804 DWZAQNUHYCOWCL-UHFFFAOYSA-N 410.470 1.456 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2c(C)nn([C@@H]3CCS(=O)(=O)C3)c2C)C1=O 1623369093 AKSBLQIHNGTDEA-CABCVRRESA-N 409.512 1.110 30 10 HDEE CS(=O)(=O)c1cc(Br)cc(C(=O)N[C@@H]2CCCN(O)C2=O)c1F 1625082415 IDZABMLGCDIPLQ-SECBINFHSA-N 409.233 1.102 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)CC1 1627521737 PMAFFWYEGALICJ-UHFFFAOYSA-N 413.521 1.485 30 10 HDEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC#N)CC2)c1 1628350878 QCLRHWITQQLDLP-GOSISDBHSA-N 402.495 1.799 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2ccc(Br)cc2C#N)cn1 1630714134 DDCLORQEOIWPBL-AWEZNQCLSA-N 408.256 1.624 30 10 HDEE CC(C)C(=O)NC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1631981369 ZWNOPYRQVGAKSB-CQSZACIVSA-N 409.483 1.747 30 10 HDEE C=CCNc1ncc(C(=O)N(CCN(CC)CC)[C@@H]2CCS(=O)(=O)C2)s1 1632005511 ITNLHUVLPUMCSR-CQSZACIVSA-N 400.570 1.712 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)NC1CCN(c2ccccc2C#N)CC1 1633493991 FQWXTOJPCKRGRD-KRWDZBQOSA-N 419.551 1.968 30 10 HDEE COc1ccc([C@@H](OC)[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1633667178 ZUSIZNZDPBTQOR-FDZBUTDGSA-N 407.492 1.351 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)C1 1634554776 IUUKLASPPBEQFA-SJORKVTESA-N 403.910 1.781 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCOCC1 1634588962 SFIWNLRSIAJTIQ-GOSISDBHSA-N 413.474 1.525 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2 1635949021 OCERIGGFEXHXHO-UHFFFAOYSA-N 407.492 1.149 30 10 HDEE C#C[C@H](NC(=O)N1CCC2(CC1)NC(=O)N(C)C2=O)c1ccc(Br)cc1 1636561581 DFRKNTDWROIODN-AWEZNQCLSA-N 419.279 1.849 30 10 HDEE C=CCCSCCNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1636748895 ZMBMBSIGNACNHO-UUCFBXCCSA-N 404.554 1.494 30 10 HDEE CN(C)C(=O)[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1637965468 CEXWHJBNKCRPFM-XAHBDIOTSA-N 404.511 1.710 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc(Cl)c(C#N)s1 1640075739 WHYKSWOSIGBPHP-UHFFFAOYSA-N 401.857 1.991 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1640587801 ATLFSTNIXZMDEO-DYVFJYSZSA-N 400.353 1.103 30 10 HDEE COCCc1noc(Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)n1 1641295433 FKLXUSWMCWXCAY-UHFFFAOYSA-N 405.458 1.898 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1641625757 MAQWOQYDVKOUKW-INIZCTEOSA-N 404.268 1.811 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 1644507518 SHDISAAIKHQONW-UHFFFAOYSA-N 415.475 1.697 30 10 HDEE C#CCN(CC(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1)C(=O)OC(C)(C)C 1644563740 PQVQKZVNIXXQCR-UHFFFAOYSA-N 401.529 1.223 30 10 HDEE C[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1647995808 XVDWQQBSQJQEHU-CYBMUJFWSA-N 416.459 1.943 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3csc(-c4c(F)cccc4F)n3)C2)c(=O)nc1O 1648028505 DEUDEGRFILZBHI-UHFFFAOYSA-N 415.381 1.919 30 10 HDEE C#CCCOC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1660246018 HOWGYZKXEWNCNR-UHFFFAOYSA-N 410.492 1.854 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(Cl)ccc1OCC(N)=O 1662964591 HUIVHKZFIKIKOC-UHFFFAOYSA-N 416.883 1.170 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H](O)Cc2ccc(F)cc2)C1 1671494842 GQQPBBQTUUYTDO-XIRDDKMYSA-N 406.458 1.787 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@H]3C2)CC1 1671879404 ANIHGTOJAHBESV-RYTJFDOTSA-N 404.492 1.329 30 10 HDEE CCS(=O)(=O)Cc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 1672340695 BDDVPMBTKUWSFL-UHFFFAOYSA-N 408.524 1.701 30 10 HDEE C#CCN(C(=O)NCCn1cnc(C#N)n1)C1CCN(C(=O)OC(C)(C)C)CC1 1672542336 LNTNWIAVMFBPGV-UHFFFAOYSA-N 401.471 1.194 30 10 HDEE COc1ccccc1OC[C@H](C)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1680490252 XTAUBMOSZRKOQM-VCBZYWHSSA-N 407.492 1.290 30 10 HDEE COc1ccc([C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(C)c1OC 1681636138 SPZZOIZELZXPAH-NJSLBKSFSA-N 407.492 1.653 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1684426050 SIOLOUKJXICSGV-QGZVFWFLSA-N 404.492 1.003 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 1687340797 YSFNXWJZZGPESR-UHFFFAOYSA-N 402.476 1.517 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2cccc(OC)c2)no1)[C@H]1CCS(=O)(=O)C1 1687710675 NVNOSGNDNBPILN-HNNXBMFYSA-N 403.460 1.682 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOCC)[C@H](CC)C1 1689907930 QIXZLCGIWQDJAK-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1CCOc1ccc(S(C)(=O)=O)cc1 1690048638 MDMCBFYFPLEAMT-UHFFFAOYSA-N 400.504 1.786 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1690309713 IKOJJNCNMJCDJC-KRWDZBQOSA-N 416.526 1.413 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690488108 KMMDUWSAQYFGBO-HXUWFJFHSA-N 423.565 1.973 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1690527809 UAKXDIWLWITKQE-HNAYVOBHSA-N 408.524 1.920 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@@]1(OCC)CCOC1 1690653064 AQSYUFRWPZZKHE-DYESRHJHSA-N 420.558 1.153 30 10 HDEE COc1ccccc1Cc1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1697571394 GFKVDKURGBBLKW-CQSZACIVSA-N 406.512 1.165 30 10 HDEE N#CC1CCN(c2nnc(CC3CC3)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1698490791 HXXHAEYJENGKEX-UHFFFAOYSA-N 414.535 1.861 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC)[C@H]1CCS(=O)(=O)C1 1705562639 HBVIUQMPLDPOJR-HNNXBMFYSA-N 418.519 1.999 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1705638067 WSGGQKAQYSEINE-FQEVSTJZSA-N 422.581 1.121 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1705717359 ILZGNLVYNGUOPT-QFPXGYFVSA-N 400.483 1.711 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1705874123 FNMKBBSOLIGCPD-LJQANCHMSA-N 402.543 1.515 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC(C(N)=O)CC1 1705898018 YXQHGUPLYPTJJV-SFHVURJKSA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2F)CC1 1705899623 ANBSJEUAWWVIDI-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NCC)C1 1705915569 WAPXFIQIUMGXKY-MRXNPFEDSA-N 418.542 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)C1 1705925262 NCTHKIABADSMGX-GVDBMIGSSA-N 410.540 1.388 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705943789 KOEAZVRPCGAWIC-LSDHHAIUSA-N 419.555 1.189 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1706069958 INNYWBSHJFTXEN-LLGFUMIMSA-N 416.526 1.838 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1708112791 GCGLKCSZVRTDSJ-NVXWUHKLSA-N 414.535 1.944 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722299607 JDYGNNOMIZXGRY-AUUYWEPGSA-N 406.483 1.016 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1cn(C2COC2)nn1 1722302182 QAKGOQGZTXRHGM-MRXNPFEDSA-N 407.478 1.569 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@H](C)COC 1722356849 UQUXQBYEVBORQC-FQEVSTJZSA-N 410.566 1.995 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCN(CC)CC1 1722356940 MXFHPKLXVVVFRC-GOSISDBHSA-N 412.586 1.483 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1722360466 IAWSRKCQVZWMKZ-OAHLLOKOSA-N 405.524 1.071 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1722363596 ARHOURIEKFHYAA-AEFFLSMTSA-N 417.535 1.173 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1722368232 PVVPTPPIODIWQV-ROUUACIJSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1722396092 FRMVXTUCJJPJPD-OAHLLOKOSA-N 403.533 1.456 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(C(N)=O)c2)CC1 1722442177 ZRQZCHNQJUORLC-UHFFFAOYSA-N 422.533 1.689 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCn1cccn1 1722446231 BQETYNRGVWMAPW-UHFFFAOYSA-N 411.466 1.379 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CC1 1722518379 CRERIZRCMUMEAA-HOTGVXAUSA-N 412.556 1.982 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2snnc2C)CC1 1722583161 QSRGELXXJKKMJF-CQSZACIVSA-N 408.553 1.791 30 10 HDEE C=CCCOCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1722623844 MYMYPVCBPRJODB-SFHVURJKSA-N 415.494 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1722696098 AYNSDMGILRTNPV-INIZCTEOSA-N 412.494 1.833 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1729636347 BFNLVWHWEHNZDY-NJNPRVFISA-N 424.505 1.319 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730639377 XTCDIAPYXWIAKO-HLIPFELVSA-N 404.515 1.094 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1 1740642011 JCHMSKPIHNUCOQ-UHFFFAOYSA-N 417.560 1.531 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)C(C)(C)C 1740683454 HNPZYKACWBVHPG-UHFFFAOYSA-N 405.524 1.639 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1740742913 GHHPGNGKIGLPBK-VHSXEESVSA-N 424.221 1.905 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](OC)[C@H](OC)C1 1740796092 NUORZEWAZNBRPR-HDICACEKSA-N 404.515 1.582 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCO1 1744251802 OVRATCGEGBQBEU-FQEVSTJZSA-N 407.482 1.899 30 10 HDEE CC[C@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCO1 1744251809 OVRATCGEGBQBEU-HXUWFJFHSA-N 407.482 1.899 30 10 HDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@@](C)(C#N)C2)CCCC1 1748493382 HEUXYWAWBFRNLT-YJBOKZPZSA-N 424.571 1.978 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748817348 JMOAALWZWZDPTC-HUUCEWRRSA-N 421.548 1.304 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2nnc(C)s2)CC1 1749009324 OXLUOMZAUDSGEC-UHFFFAOYSA-N 424.534 1.642 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749010179 OSBSZFICMMJNGY-UHOSZYNNSA-N 415.538 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCSC2)CC1 1749016579 GKDSRNCDXYNOMO-KRWDZBQOSA-N 424.574 1.983 30 10 HDEE COc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1749068556 BIKUQWUBIYFWPF-BEFAXECRSA-N 419.482 1.679 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1749099055 WAFTXGBYPBNSOB-QGZVFWFLSA-N 405.300 1.909 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749198244 ADXRHCUURKHOND-SFHVURJKSA-N 409.494 1.607 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@H]1C 1749213939 SDUUJRRFTPNECO-ZNMIVQPWSA-N 417.601 1.811 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1749461490 BMODEEAGVPDCJW-IBGZPJMESA-N 412.538 1.940 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1749671722 HFIPYGGNHMHEOL-UHFFFAOYSA-N 401.490 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1749732505 XNSNVJAYXNHSNY-FQEVSTJZSA-N 420.510 1.993 30 10 HDEE CC(C)(O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1750529886 GIVZMLDYWUAOBB-UHFFFAOYSA-N 418.523 1.059 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1752415972 ADRNDFLIHMQPEF-MRXNPFEDSA-N 407.478 1.930 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760162950 VZNBDEKPEMXQAP-PMACEKPBSA-N 400.571 1.800 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1760170748 OWDGOVUENQKHNP-UHFFFAOYSA-N 416.489 1.916 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCCn1cnnn1 1760180004 SYSMJYAKJSAROE-HNNXBMFYSA-N 415.502 1.496 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760187564 KGAZTUPITWNDAJ-IBGZPJMESA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1CCC(O)CC1 1760221309 RGQJAMAUDXUZNV-UHFFFAOYSA-N 406.534 1.574 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1760249679 QIIMKVNWVSRVHD-MOPGFXCFSA-N 403.527 1.517 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC(=O)NCCc2ccccc2)CC1 1760259501 CLRATYXMAHADLG-UHFFFAOYSA-N 406.534 1.660 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)[C@@H](C)CC 1760294672 DCBZCBPMQJYECE-FIYPYCPBSA-N 408.568 1.969 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760431209 HWYPQORLBFGMNY-AWEZNQCLSA-N 406.512 1.761 30 10 HDEE C=CCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760459351 QAEPIYVHXURRJZ-UHFFFAOYSA-N 405.462 1.226 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760564630 DBENVZFGMIUXQI-QLFBSQMISA-N 404.540 1.396 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1760688308 FQPHJWBGKBEYEC-MNOVXSKESA-N 412.438 1.411 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1761217139 GUTFRPSQYDZZLB-AUUYWEPGSA-N 400.462 1.317 30 10 HDEE CNS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1767844193 FNJBSYBIJPTBCE-SFHVURJKSA-N 402.524 1.467 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1769224092 DPAYGHMZUDUEMJ-IVZQSRNASA-N 424.505 1.319 30 10 HDEE CNC(=O)CCn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1769338368 BFJSELKYVUILBY-HXUWFJFHSA-N 404.515 1.585 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1769736438 WGDMDCVWSAGWME-IRXDYDNUSA-N 413.434 1.879 30 10 HDEE COCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1770152079 CGXZVXGVZRHHRC-CRAIPNDOSA-N 419.457 1.949 30 10 HDEE CS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770359016 PISSUYIXYOYLAD-QGZVFWFLSA-N 421.571 1.052 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1772564789 ORRDXRPQEKJOBX-AWEZNQCLSA-N 405.528 1.169 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCN(CCC#N)CC2)cc1 1850476089 XCIHTGBANMEKMR-IBGZPJMESA-N 420.535 1.296 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc32)CC1=O 1850617033 FWIDKJIWXVNABI-HOCLYGCPSA-N 417.487 1.138 30 10 HDEE CCc1ccc(CN2C[C@@H](C(=O)N=C3NS(=O)(=O)c4ccccc43)CC2=O)cc1 1850794651 NHIWZTBENAILGY-INIZCTEOSA-N 411.483 1.863 30 10 HDEE Cc1nn2c(c1C(=O)OCCN1CCN(c3ncccc3C#N)CC1)OC[C@@H](C)C2 1851876023 SKVGKYLGEQBTHM-HNNXBMFYSA-N 410.478 1.466 30 10 HDEE O=C(c1cn(C[C@H]2CCOC2)nn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851920739 BHRQIWIUIIEBND-SNVBAGLBSA-N 409.390 1.189 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)CC2 1852729811 ORHZINHPJISOHQ-RBUKOAKNSA-N 401.532 1.480 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCc2nncn2C)c2ccc(OC)cc2)CC1 1853443593 PNEXLEYMLGKLDN-UHFFFAOYSA-N 405.480 1.730 30 10 HDEE C=CCN[C@@H](C)[C@@H]1CCN(C(=O)c2cn(CCN3C(=O)c4ccccc4C3=O)nn2)C1 1853572327 JWWXHFOQNAFOOP-JKSUJKDBSA-N 422.489 1.201 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cc3ccc4c(c3)OCCO4)C(=O)C2)c(F)c1 1854337800 JLLDNMOFYBLILP-UHFFFAOYSA-N 409.417 1.882 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1[C@H]1CCN(CC(F)(F)F)C1=O 1854675627 IBSNLVYGQHGBCJ-WFASDCNBSA-N 408.380 1.394 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)n(C(C)C)n1 1854985094 JOYUHKINJDYACN-QZTJIDSGSA-N 400.527 1.823 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(C#N)cc3)C(=O)O2)CC1 1855108024 HVOZSKZOMPLCTH-QGZVFWFLSA-N 405.476 1.969 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855204785 MITKEYUZKQYRSY-MJGOQNOKSA-N 403.523 1.574 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@@H](N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O 1855447462 KWPSJMWXEZMKMC-DNVCBOLYSA-N 420.531 1.883 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](CN(C)CCC#N)CC2=O)cc1 1855745906 RGEZINVTDXFNEQ-INIZCTEOSA-N 420.535 1.551 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(CCn3nccn3)c3ccccc32)CC1=O 1855819635 TXQWQVOEZCDDOC-INIZCTEOSA-N 408.462 1.083 30 10 HDEE CC(=O)[C@@H](C(=O)N(C)C)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)[C@H]1C 1855860337 NDANWRJYAQYKGD-PXAZEXFGSA-N 418.881 1.125 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C)c(C)c3)C2)CC1=O 1855982596 YYKYHPRGUSKRBP-SFHVURJKSA-N 419.547 1.703 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC[C@H](Cn4nccn4)C3)CC2=O)cc1C#N 1856168581 LJBSZXBKGXVQKJ-ROUUACIJSA-N 406.490 1.859 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cnc(C)s2)C1)[C@H]1CCN(C)C1=O 1857079381 CVWHWWDWWDZRFN-RDJZCZTQSA-N 404.536 1.478 30 10 HDEE COCCOc1cncc(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)c1 1857231745 GLNVHMKVJIWAQN-WMZOPIPTSA-N 412.490 1.721 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cc(-n4cccn4)ccn3)C1)CC2 1857231767 GWUXWZCJLQGZFJ-SJORKVTESA-N 404.474 1.882 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O 1857371233 MSQWSDCTMTXEMF-UHFFFAOYSA-N 400.442 1.838 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)CC[C@H]3CCCO3)C2)C1 1857464752 FVTWWEWXNDJLHY-IAGOWNOFSA-N 412.490 1.741 30 10 HDEE C=CCn1cc(OCC(=O)N(C)C2CCCCC2)c(=O)cc1CN1CCN(C)CC1 1870505155 KTRASCPTKBMMRR-UHFFFAOYSA-N 416.566 1.952 30 10 HDEE C#CCOc1cn(CCCN(CC)CC)c(CN2CCN(C(C)=O)CC2)cc1=O 1870561750 BITZUZHYOIRMEC-UHFFFAOYSA-N 402.539 1.256 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2OC)c(=O)cc1CN(C)CCO 1870747110 FWBAHHXBWSQEQX-UHFFFAOYSA-N 401.463 1.485 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N2CCC[C@@H](C)C2)n1 1871507017 GFXUBUSCLJGRSG-CYBMUJFWSA-N 403.512 1.519 30 10 HDEE C=CCNC(=O)[C@H](C)NC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1873841679 ZKDOSJRYIIAMEV-INIZCTEOSA-N 411.506 1.645 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccc(O)c2)CC1=O 1874332931 BVJLVSWJECRFDI-GNZXAGPDSA-N 402.480 1.168 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(C)ccc1O 1874432708 SXGYIHGSASGMFM-ZVBGSRNCSA-N 404.496 1.429 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ncoc3C(C)(C)C)CC2)CC1 1889249851 JUFPDTKKQLWXPB-UHFFFAOYSA-N 402.539 1.844 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCC(C(N)=O)CC2)[C@H]1c1ccc(C#N)cc1 1889272664 JRRCHONOAYZISF-MOPGFXCFSA-N 414.531 1.676 30 10 HDEE COc1cc(Cn2cccc(C(=O)NCC#CCN3CCCC3)c2=O)cc(OC)c1 1889365420 LJBUVZPMNJCXQX-UHFFFAOYSA-N 409.486 1.743 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)CN2C(=O)COc3ccccc32)CC1 1891304916 HDSNFMAXARDFMB-UHFFFAOYSA-N 407.430 1.391 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1896906600 XYVOJLISTAPKRQ-LJISPDSOSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010404097 OMVROOXGUGVVTP-TZMCWYRMSA-N 418.303 1.875 30 10 HDEE N#Cc1cc(C[S@@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 2074695905 NEJLUIZLMWKYAO-HPGBDJQBSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@]2(CN)CCC[C@@H](S(C)(=O)=O)C2)[C@@H](C#N)C1 2194928577 PUVQCSIFBIMEAS-HDMKZQKVSA-N 400.545 1.116 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217484901 YECQROAZQANHFD-HUUCEWRRSA-N 419.331 1.845 30 10 HDEE CCCN[C@H](C#CP(C)(C)=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2225388670 JSHNOFXWRAEAOD-HUUCEWRRSA-N 406.485 1.876 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)O[C@H]2C1 2241296810 DOHOFWYVVSHYHR-KKUMJFAQSA-N 418.402 1.144 30 10 HDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2241490863 PLKUJIDIGBQFDK-HHHXNRCGSA-N 400.306 1.770 30 10 HDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]12 2247819430 GQAMZRIRBHWAPT-CHWSQXEVSA-N 418.303 1.304 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)OC1(C)C 2255626941 MBLDILRHMQGOLM-ROUUACIJSA-N 422.338 1.913 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N 2267709721 GZFIJMZSLHSPCW-MWLCHTKSSA-N 406.766 1.668 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267712269 DAOUBNKQNHYVBA-XMMPIXPASA-N 408.376 1.053 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270508372 LNSBLKVQMZYRNV-GOSISDBHSA-N 416.455 1.467 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270520369 CEJCTAWUUNRDHB-AEFFLSMTSA-N 422.503 1.520 30 10 HDEE N#Cc1c(F)cccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270537382 JRPFNAZJOSJCQN-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE COC[C@@H](CCO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282324425 OZIMIBWJEXVXSE-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@](C)(N)C2)OC1(C)C 2282407806 CPETYDKBHITAIP-KRWDZBQOSA-N 400.737 1.751 30 10 HDEE CN(C)CC1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282493171 SCRLICHBJXMSTR-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](N)C3)c(Cl)c2)OC1(C)C 2282500161 VXNZZGWEIYCWIX-ZDUSSCGKSA-N 400.737 1.751 30 10 HDEE C[S@@](=O)C1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282510642 BMUADELEQNLVAO-RUZDIDTESA-N 419.761 1.391 30 10 HDEE CN(C)c1nnc(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)s1 2282848470 NVFNDZKHZRPGIC-UHFFFAOYSA-N 416.359 1.766 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)CCS1 2282850296 NECXXGYQLQPSGV-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CCN1CC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855989 LZKHOJFPMCRKPL-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CCN1CCC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282862191 AEAITWGANBMVBY-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CO[C@H]1C[C@H](CF)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282880032 CEELDXJDKHGDFO-NEPJUHHUSA-N 405.322 1.795 30 10 HDEE C[C@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284404300 YASGFUIEXSQYCJ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC=CC(=O)O)OC1(C)C 2284409206 GHVRUTPDUXRZKE-UHFFFAOYSA-N 401.677 1.558 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)C(=C(C)N[C@@H](C)CO)C(=O)[C@@]12C 2297591368 BRVZONRXRINYIX-PPRQPISWSA-N 401.415 1.539 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@H]1CC2=NO 2328369141 ZOUPSXRMYBFVSS-IGCXYCKISA-N 405.476 1.611 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 2338819289 ZLGKFFFRRSZLTO-UHFFFAOYSA-N 418.515 1.633 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365200788 BMVHYUULEQNMBB-NXEZDXNNSA-N 400.541 1.161 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367800096 GQMSCWRUVMSRLW-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2367817492 NANYWFLSEDCLNH-KHYOSLBOSA-N 400.541 1.163 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCC[C@@H]1NC(=O)OC(C)(C)C 2367825919 TYCBGUPESKBQPP-ZRGWGRIASA-N 400.541 1.353 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CC[C@H](NC(=O)OC(C)(C)C)C1 2373484355 MGOZEYDRFDJWHF-IYOUNJFTSA-N 402.513 1.562 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379894142 RWQHJHIZJGDMOR-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 10063379 IECYGBIBTIIQLU-UHFFFAOYSA-N 405.436 1.317 30 10 HDEE CN(C)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1 59005217 KIFHACPXBRNVEI-FRKPEAEDSA-N 403.497 1.899 30 10 HDEE Cc1cccn2cc(CC(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)nc12 116610011 NNHJBICCEPPVSL-UHFFFAOYSA-N 423.498 1.590 30 10 HDEE C=CCOC(=O)NCCNC(=O)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 169912367 OLYPNOYRJSBMCK-LJQANCHMSA-N 421.453 1.922 30 10 HDEE CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CC[C@@H](Oc3nccnc3C#N)C1)C(=O)C2 238846401 IKUBNOYPRPRMJB-IQUTYRLHSA-N 404.492 1.527 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 253390117 LQQVURUBFJKELJ-RVPURCOHSA-N 422.474 1.605 30 10 HDEE Cc1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1F 254566679 JZZVYCZPXDJGGC-CHWSQXEVSA-N 400.453 1.600 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(NS(=O)(=O)CCS(C)(=O)=O)c1 404898899 IEPFJELTWOQVKG-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 409479758 YVSHNUWHFUGMEH-QGZVFWFLSA-N 412.556 1.208 30 10 HDEE Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@@H](C)n1cnc(C#N)n1 409625348 YNGGGSHSEQGZOE-LLVKDONJSA-N 405.256 1.927 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[C@@H](C)n3cnc(C#N)n3)C2)cc1 409632206 QNXONQQCKKVTIM-HZPDHXFCSA-N 416.507 1.236 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc3C2)cc1S(=O)(=O)NCC#N 426373343 SAGMVSXBFQXHCA-INIZCTEOSA-N 403.435 1.670 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@@H](c2ccnc(N)n2)C1 429724011 VTVSCHBXJCOUHM-OAHLLOKOSA-N 402.462 1.934 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 440847620 TZELDWWAOWKAAA-OXJNMPFZSA-N 424.519 1.628 30 10 HDEE C=CCn1c(SCC(=O)NCCc2nc(=O)o[nH]2)nnc1-c1ccc(Cl)cc1 447637985 YMKSRNGIJNPRQC-UHFFFAOYSA-N 420.882 1.912 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)c1C#N 472192252 KJNMXXNJQOLRFN-UHFFFAOYSA-N 404.452 1.160 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCC[C@@H]3C(=O)N3CCCC3)CC2)c1C#N 472991292 HICFBCFJZWXRLH-ROUUACIJSA-N 412.538 1.678 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)C2 481218849 ASAGOFYZTXYYLV-BLLLJJGKSA-N 418.393 1.777 30 10 HDEE COc1cccc(C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 482182704 TYMHHAMTIRNDQI-CABCVRRESA-N 401.488 1.981 30 10 HDEE CNS(=O)(=O)c1ccc(NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)nc1 484761246 SZVTUVDHWVPZLL-UHFFFAOYSA-N 415.475 1.937 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 486290388 GLFHIBJYRSZXFF-RTBURBONSA-N 408.520 1.899 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)cc1C#N 489115988 WLZKDSCLPWJZMO-ZIAGYGMSSA-N 401.492 1.749 30 10 HDEE Cc1ncc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1C#N 489616801 ASUAXWKXGJEGKT-UHFFFAOYSA-N 418.500 1.027 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 505742096 OBGXIJKGWJRRPM-NRFANRHFSA-N 406.527 1.405 30 10 HDEE CN1CCN(C(=O)CC2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)CC1 506200465 XAPCETASYRSREY-UHFFFAOYSA-N 424.954 1.776 30 10 HDEE CS(=O)(=O)N[C@H]1CCN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 523994922 GTOISDVLHQJHBE-AWEZNQCLSA-N 405.505 1.761 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2ccc(C#N)cc2OC)n1 526070491 WTMUAGKJCDEJHZ-UHFFFAOYSA-N 402.432 1.497 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 543380454 HCQDLNLQUUBVNE-SFHVURJKSA-N 405.462 1.375 30 10 HDEE C[C@@H](CNC(=O)c1cc(C#N)cn1C)N(CC(F)F)C(=O)c1cc(C#N)cn1C 548714501 MRNLOKWRGWTQDA-LBPRGKRZSA-N 402.405 1.633 30 10 HDEE N#Cc1ncn(CC(=O)N[C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)n1 553607034 OKCLMUIWONPEES-VQIMIIECSA-N 407.405 1.856 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)cc1 559171793 FJAFYAYYZVOVBM-JTSKRJEESA-N 422.489 1.482 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1C#N 588171982 QVEXZXOCEHCWMM-CYBMUJFWSA-N 423.564 1.553 30 10 HDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 603798836 OMZYIHKFESLASK-AWEZNQCLSA-N 415.540 1.240 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 604178081 ICWBQJZENJAXDS-UYAOXDASSA-N 404.486 1.675 30 10 HDEE COC(=O)CCc1nnc(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)s1 609872775 ZNLLOJKIFFBPAR-UHFFFAOYSA-N 413.463 1.746 30 10 HDEE CS(=O)(=O)c1csc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 611241149 JPCPVIZIAJHJGA-UHFFFAOYSA-N 406.489 1.851 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 612354112 ZJOMBTFUTVZPGP-MRXNPFEDSA-N 402.451 1.485 30 10 HDEE CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 619849196 CZCGIKQAZIDDPF-QAPCUYQASA-N 410.544 1.397 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 679505288 XNZKEBVXASPKJS-UHFFFAOYSA-N 421.441 1.924 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC 732650971 OMFDHCUZUHQLCL-KRWDZBQOSA-N 420.535 1.538 30 10 HDEE C[C@@H](c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)N1CCOCC1 737199912 XRSDYOFEUOJTOD-JXFKEZNVSA-N 411.506 1.217 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1ccc(Br)cc1 737304877 CYHNDAYOVMFUJN-BUHFOSPRSA-N 407.224 1.030 30 10 HDEE CN(CCC#N)C(=O)C[C@]1(C(=O)N(C)CCC#N)CCN(C(=O)OC(C)(C)C)C1 742247097 OOAUQRXBHXBQLB-HXUWFJFHSA-N 405.499 1.748 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3ccc(C#N)cc3)C2)CC1 746492418 LGOVTECTLVQKOJ-UHFFFAOYSA-N 420.535 1.625 30 10 HDEE COC(=O)c1cc(NC(=O)COC(=O)Cc2cccc(C#N)c2)cc(C(=O)OC)c1 750429824 GMUMCRQBMJCXPC-UHFFFAOYSA-N 410.382 1.856 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OC[C@@H]3CN=C(c4ccccc4)NO3)cc2C1=O 768815462 YUIVZARUWXYRRB-INIZCTEOSA-N 405.410 1.976 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(OC(F)F)c3cccnc23)CCN1C1CC1 773310080 IRAMSWPFBZBHGK-ZDUSSCGKSA-N 415.400 1.973 30 10 HDEE C=CCOCCNC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 779981304 BVJPGNSEUOXWAR-UHFFFAOYSA-N 414.485 1.944 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCc3sccc3C2)cc1 780292167 GUPRPWXBAHXCRK-UHFFFAOYSA-N 417.512 1.931 30 10 HDEE COC(=O)[C@]1(NC(=O)[C@@H](O)c2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 780969046 JZBOFRRUQAXNKX-REWPJTCUSA-N 407.470 1.916 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 788579768 YGSGNTGWWGQJIQ-QZMYASAMSA-N 419.507 1.243 30 10 HDEE CCn1nccc1C=Nn1c(-c2cnn(C)n2)csc1=NCCc1ccccn1 789991454 PTKBTXHPFIIOGE-UHFFFAOYSA-N 407.507 1.982 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)n1 790105264 VWVQEBXJGDZTPB-UXHICEINSA-N 400.523 1.920 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cnc(Br)c(OC)c2)n1 790105720 WUVPRBJLZSKWDV-UHFFFAOYSA-N 407.268 1.971 30 10 HDEE C[C@H](CC(=O)Nc1cc([C@H]2CCCO2)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 792675707 PPECXNJRTRSEGF-BXUZGUMPSA-N 403.464 1.717 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3F)CC2)cc1 793997108 NWCXCTSGUZWHGO-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NN=C1CC(=O)N2CCC[C@H]12 799465104 ZJEUZMXAQBAUJE-OAHLLOKOSA-N 409.468 1.788 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 808470630 WUBMFDDDAZLXDZ-JSGCOSHPSA-N 422.507 1.239 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 809893138 KHAQDSLAVHRSCU-AWEZNQCLSA-N 406.487 1.099 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812309555 CEMYMBVIIPZHSI-DLBZAZTESA-N 415.519 1.454 30 10 HDEE COc1ccccc1-c1noc([C@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)n1 1116184134 BYSOPJNTQCSVGF-WVOMEGHKSA-N 411.418 1.839 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)COc1cccc(Br)c1C#N 1128109574 NHXFZMQUCKVZIC-HOCLYGCPSA-N 413.268 1.636 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1128704237 YBIVBXOTKRKDJB-INIZCTEOSA-N 416.341 1.963 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)cn2)C1 1133630414 LEHFSNOALJMVOY-CQSZACIVSA-N 408.480 1.107 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccccc1 1134861745 GOFYJOHKHAJNSD-GDLZYMKVSA-N 415.475 1.064 30 10 HDEE COCCNC(=O)Cn1cc(NC(=O)c2ccc(Br)cc2C#N)cn1 1137089304 LLABYJNXALPABB-UHFFFAOYSA-N 406.240 1.532 30 10 HDEE CC1(C)OC[C@H](/C=C/C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 1141411961 SXDUKWASOQFJIK-WHWKNOJMSA-N 405.476 1.099 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(=O)OC 1141995177 KKUMQKDTTWZZEO-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1nscc1I 1142586183 KDRVSGQXAPAALP-UHFFFAOYSA-N 420.276 1.436 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3c4ccccc4C[C@H]3CO)C2=O)cc1 1146793888 KETAFEXKYVVJAG-ZWKOTPCHSA-N 404.426 1.713 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)CCOC1 1148015272 MOTJNRHERHCLKX-DENIHFKCSA-N 412.490 1.003 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(O)CCC(F)(F)CC2)ccc1F 1148553914 MQIUDPJHUZJGSB-UHFFFAOYSA-N 406.426 1.960 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1150657713 QPEZSHJADMJVAM-LJQANCHMSA-N 414.506 1.731 30 10 HDEE COc1ccc([C@H]2CN(CCS(=O)(=O)c3ccc(C#N)cn3)CCO2)cc1OC 1176946265 PBYQPUHUUDFPFC-LJQANCHMSA-N 417.487 1.818 30 10 HDEE N#C[C@]12CN(c3ccc(F)cc3S(=O)(=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1187782011 ACXJVUWRVUHDTB-TVQRCGJNSA-N 412.386 1.494 30 10 HDEE CCc1nc(C#N)cc(N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 1187931699 NMPHEOVLZZEPPP-INIZCTEOSA-N 414.510 1.959 30 10 HDEE N#CCNC(=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1227975083 LFLFGMYGYUYTMT-RNFRBKRXSA-N 408.249 1.439 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2=O)cc1 1248375905 QGMWRZOCJHIFAY-RTBURBONSA-N 424.505 1.248 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)CC1 1286345637 PHSBMVNHFDULGZ-UHFFFAOYSA-N 421.465 1.223 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1286396556 WCGGZHBEPHDKGK-AWEZNQCLSA-N 407.565 1.998 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1286398864 RKCORSJSINFOEY-SSEXGKCCSA-N 423.542 1.514 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 1286496364 CHUYDTWJPQBRNN-MJGOQNOKSA-N 418.611 1.770 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1286500519 YDSGFGMBQZJNOB-UHFFFAOYSA-N 406.533 1.555 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286699404 BYCCADLHBCRUNZ-NVXWUHKLSA-N 404.540 1.323 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)C(C)(C)C 1286773892 VEXFTMRSIQKTKN-HNNXBMFYSA-N 400.545 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1286818787 ODPHWCUNCVLMCH-RHSMWYFYSA-N 405.524 1.878 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCn1ccnn1 1287007574 GTJVMNQZKLGEJM-UHFFFAOYSA-N 420.525 1.851 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCSC 1297287991 PCBSPRXPONUYBN-HNNXBMFYSA-N 416.555 1.944 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1299070834 AZSRFIZBDORKIR-DLBZAZTESA-N 400.458 1.764 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300298277 BKQUFMNTJANGMG-AEFFLSMTSA-N 410.526 1.136 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300339330 MGFSOVSKXTZNEM-NRFANRHFSA-N 407.478 1.588 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1300363021 WFSLDFHKXRWALK-QGZVFWFLSA-N 409.556 1.447 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1300457786 APYZTNNLNUXZNC-INIZCTEOSA-N 418.542 1.940 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@H](C)O2 1300471822 QFYLUFSSURLNPJ-HNNXBMFYSA-N 409.490 1.850 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300480202 ZJFFWQJDBIMQIE-QGZVFWFLSA-N 419.551 1.543 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1nnc2n1CCCCC2 1300505629 DIVVSYWOFPAPRY-UHFFFAOYSA-N 422.537 1.636 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccc(OC)cc1 1300505730 HEPDEFMIPICRDO-QGZVFWFLSA-N 409.490 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1300539039 WWXHMHWBVNQFHZ-GOSISDBHSA-N 410.499 1.332 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300760858 IJEHQFMQKBZFRD-XHSDSOJGSA-N 405.524 1.473 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCCNC(C)=O 1300813640 MZUXWDVMCVDGJM-HXUWFJFHSA-N 414.535 1.788 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccc(C)s1 1301454158 OTHRCRLWXJEAQZ-MRXNPFEDSA-N 402.524 1.928 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301498433 NZGLKRKSQRWSMW-MRXNPFEDSA-N 401.515 1.278 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 1301499668 DKFFJQAZVONSAE-KRWDZBQOSA-N 404.559 1.642 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1301500314 KXXNPFMCGHLHIJ-CVEARBPZSA-N 420.514 1.189 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1301508414 KLAOJORGSJTLRJ-UHFFFAOYSA-N 410.526 1.266 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOC(C)(C)C 1301585214 IQELDNMAKPXRBL-CQSZACIVSA-N 413.544 1.081 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC1=CCCOC1 1303828913 PNTJUHVEWZXSRH-AWEZNQCLSA-N 408.528 1.365 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2CCCCCC2)CC1 1310008989 FVWGDYIRVBLKHH-UHFFFAOYSA-N 419.551 1.684 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1 1310132046 YPEPARJGYHSGFP-MOPGFXCFSA-N 422.551 1.556 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1314529782 JHBDUXZKJYEODG-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)C1 1314964138 DUCUBOQMXVJXTG-QFIPXVFZSA-N 418.505 1.869 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1316258408 XXGRNSMIJBIREE-MOPGFXCFSA-N 424.505 1.585 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)cc1 1316533162 FYOWZORLCUGFJB-LJQANCHMSA-N 407.478 1.553 30 10 HDEE COc1ccc(-c2noc(CCC(=O)NCCN/C(O)=C3/N=CC=CC3=O)n2)cc1 1318358893 BKDABWYLWLJAIT-ZZEZOPTASA-N 411.418 1.320 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNS(=O)(=O)CC 1358899054 GHJFCAHIJQQURF-AWEZNQCLSA-N 409.487 1.393 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358967161 FKPGUVNLEASBAZ-FUHWJXTLSA-N 416.503 1.510 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCCCS(C)(=O)=O 1358990882 FXTVPRUFBBMVCS-UHFFFAOYSA-N 402.524 1.356 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1359025371 LXLLHXVYKUUDMB-HTAPYJJXSA-N 414.506 1.503 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(N(C)C)CCC2)CC1 1359043846 LCDKZIBCKBUNLN-UHFFFAOYSA-N 409.538 1.723 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1359121711 FJZYOIMTWUUJLI-ZIAGYGMSSA-N 424.527 1.873 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359215829 KAZHVLMOSDQTKA-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2(C(N)=O)CCOCC2)C1 1359319120 SWGBGUCVAZEIHK-KRWDZBQOSA-N 412.494 1.404 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1359447619 ZCPDMQBIDNNYPA-IBGZPJMESA-N 406.446 1.799 30 10 HDEE CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(C#N)nc1 1437297864 CKMNVIUXSCWPJE-UHFFFAOYSA-N 401.444 1.941 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(-c3ccccc3)nc3n2CCCC3)C1=O 1437820716 UYEPHMNGWSXFFV-UHFFFAOYSA-N 407.430 1.802 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(F)c(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1439610627 DNVWHKBEMWGYTI-RTHLEPHNSA-N 405.220 1.738 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCCN(C(N)=O)C2)n1 1442968217 TWGUXBSTBKDUFV-SNVBAGLBSA-N 407.525 1.529 30 10 HDEE CN1CC[C@H](N2CCC(NC(=O)c3cccc(C#N)c3Br)CC2)C1=O 1449177765 PSDLNUGLFUZTQD-HNNXBMFYSA-N 405.296 1.746 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)NCCOC)ccc2C)cc1 1449780132 KHMPRFLIOLENFJ-UHFFFAOYSA-N 416.499 1.862 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)CSCc2ccc(C#N)cc2)cn1 1455703252 OJSXTJKEZUSBEL-GOSISDBHSA-N 418.544 1.913 30 10 HDEE O=C(c1nnc(O)nc1O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456582308 CVPZHSJRYPSERP-IMJSIDKUSA-N 408.205 1.526 30 10 HDEE C[C@H]1Oc2ccccc2N(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1=O 1457999304 GKJKOCWTUOQZEM-CQSZACIVSA-N 423.425 1.705 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)CC1 1460026078 HBROHPHAEAVHQO-ULQDDVLXSA-N 415.490 1.658 30 10 HDEE COCCN(CCF)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1460360133 JQTYNWHUAYMKOZ-UHFFFAOYSA-N 405.430 1.373 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463168663 PNTGRPJACBKIOB-MGPUTAFESA-N 404.488 1.581 30 10 HDEE C=CCn1cc(C(=O)N2C[C@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)nn1 1471246273 ZLMFLYSLXZTTBE-LSDHHAIUSA-N 400.483 1.785 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)C1 1471832974 MOISWOAEAURHCQ-SFHVURJKSA-N 420.579 1.052 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OC 1475688810 OCEDZPUHPLMULV-HNNXBMFYSA-N 413.448 1.436 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1478815355 GQZMHSXQJPAPQY-UHFFFAOYSA-N 406.490 1.326 30 10 HDEE Cc1nnc(N2CCC(O)(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1492814134 JDIOYAIGCQFDRS-VXPUYCOJSA-N 422.489 1.601 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494282801 FZYZYSWNELCRKO-HMWBCQRISA-N 411.466 1.035 30 10 HDEE C[C@H]1CN(CCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1494528862 CJGGHKLDYVXOMS-XDNAFOTISA-N 404.515 1.010 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1504659519 JWMCNOZBTIAWNH-MRXNPFEDSA-N 422.445 1.999 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1ccnc1C 1505002734 XOVSPWYLJODURT-RDJZCZTQSA-N 403.487 1.326 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1505120456 GCCLOGRERZROFP-INIZCTEOSA-N 419.482 1.314 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1Cc1cn(C2COC2)nn1 1507547917 YQSVOBUCHWVZMT-MRXNPFEDSA-N 407.478 1.835 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NCC)CC1 1507567620 QPIBAZPXWBMQGC-UHFFFAOYSA-N 409.538 1.326 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507596312 GIWKYJZRVSLIID-YVSFHVDLSA-N 403.483 1.350 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCn2cc(C)nc21 1507710925 WYQXERGKRIVXBI-QGZVFWFLSA-N 408.510 1.847 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(C)CN(C)C2=O)CC1 1507724402 OMOUOUKEVBHUDZ-JOCHJYFZSA-N 410.497 1.242 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1507796056 GQTQDODPGRQGNH-OXJNMPFZSA-N 405.543 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@](C)(OC)CC1 1508148131 GJFKDTLTADABRO-GOSISDBHSA-N 400.545 1.811 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)s1 1511737504 WXEZMNGWWAWWJB-CYBMUJFWSA-N 402.528 1.932 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CCC(=O)N1 1513376491 TZNAYGDGLWSOAT-QRWLVFNGSA-N 401.515 1.605 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CCO1 1521129178 ITJAUGCHEGRFSJ-GJZGRUSLSA-N 420.420 1.946 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nccn1C 1522160608 NEVWHUUIIVPYIR-WDHIOAMHSA-N 402.495 1.166 30 10 HDEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n(C)n1 1527273591 FEJVSRYOMLEVEO-PGMHBOJBSA-N 419.463 1.272 30 10 HDEE CC(C)n1cc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1537014767 NGEBTKYMWOWNCG-IINYFYTJSA-N 401.286 1.237 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3ccc(Cl)c(Cl)c3)cc2S1(=O)=O 1537849152 QBVDSEAOPBZHMB-ZDUSSCGKSA-N 414.274 1.819 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1)C1CCN(C)CC1 1538520059 QMXCWSQIWQTRBA-UHFFFAOYSA-N 421.563 1.942 30 10 HDEE CCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c([N+](=O)[O-])cc1OC 1539119113 SMLLDTRMENBSLG-APPDUMDISA-N 409.420 1.012 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(CN(C)C)c1 1539230997 NIEGMVVHGLUZEZ-UHFFFAOYSA-N 404.518 1.697 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1539429762 COQHWKAWUHCWJS-KRWDZBQOSA-N 424.540 1.687 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)[C@H](C)CCC)CC1 1539453125 CVOMUNYRJBJHRR-LJQANCHMSA-N 423.565 1.572 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1539704668 GVQBJQZOIVKQSY-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1540007073 YBORSWBZWXQTEY-GJZGRUSLSA-N 418.585 1.406 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1540855025 UOZATLBOEFLJMQ-NRFANRHFSA-N 410.478 1.954 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc21 1540861810 HLKPDWMLBJXLOL-UHFFFAOYSA-N 403.446 1.922 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@@]1(OCC)CCOC1 1540876651 XONWBAQEOIDLOH-FOIQADDNSA-N 407.515 1.094 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCOC2=O)C1 1540893504 DZSNHJFVSQWSIT-GOSISDBHSA-N 412.494 1.888 30 10 HDEE CC(C)(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1Cc1ccc(C#N)o1 1541176965 PLUWKDOIWWBIJQ-UHFFFAOYSA-N 400.483 1.850 30 10 HDEE Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1544267058 BNCFYLJSTSBRFL-IBGZPJMESA-N 410.474 1.769 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2c2c(C)n[nH]c2C)s1 1545876735 ITMRQHXMPXHHBR-OAHLLOKOSA-N 424.548 1.695 30 10 HDEE CC[C@@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1546679154 GOIURQMPDWCOTO-GOSISDBHSA-N 424.505 1.966 30 10 HDEE CNC(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)c1 1554415245 FDJBHLZJSPOGFS-UHFFFAOYSA-N 404.478 1.826 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1555753601 SOIGCRABEZCNLH-WDSOQIARSA-N 418.542 1.605 30 10 HDEE C#CC1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 1560026769 GEAWRBYBLHNIQZ-CALCHBBNSA-N 403.498 1.516 30 10 HDEE C#CCSCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1564114554 PGSFEVVZALAUAI-AWEZNQCLSA-N 419.569 1.076 30 10 HDEE CCOc1ccc2c(c1)[C@@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CCO2 1564615899 DCTQNCUSLOSAGN-AXHNFQJDSA-N 405.476 1.489 30 10 HDEE COC[C@@]1(C(=O)Nc2cc(C)n(CCC#N)n2)CN(C(=O)OC(C)(C)C)CCO1 1567068137 BEUNQLAQRRSAII-LJQANCHMSA-N 407.471 1.696 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1570226660 CASCTCLCIMJIFN-CQSZACIVSA-N 416.455 1.676 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3ccc(Br)c(F)c3C2)C1=O 1584580207 IMVDEBLKOWSIDD-UHFFFAOYSA-N 424.226 1.450 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1586286247 PVDXXOPVYJEDHZ-TZQQIIETSA-N 420.510 1.090 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1587667474 IXNOIHDUVTWXRX-HNNXBMFYSA-N 416.507 1.078 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1587869488 OCSDWXFLJIYZSR-KRWDZBQOSA-N 405.506 1.987 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1588765413 GSEMYKGMAURSMC-CALCHBBNSA-N 420.531 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)Br)CC1 1588812154 PUOADKGQMUIDHZ-LBPRGKRZSA-N 404.259 1.525 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C)CCCC2)CC1 1588923949 RMQAWAVHNKGWOD-QGZVFWFLSA-N 412.538 1.775 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1593689749 DUPWGBRXPPNTMI-OKYOBFRVSA-N 405.543 1.735 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNS(=O)(=O)CC)CC1 1594168487 OMHACKDFNNBHHZ-UHFFFAOYSA-N 424.571 1.246 30 10 HDEE C#CC[C@H](COC)NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1595816051 AWQINTBVOFEOSP-GFCCVEGCSA-N 403.298 1.468 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 1611025264 ICNGENVSNIFLER-GOSISDBHSA-N 422.547 1.846 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1612877837 NANMVLPNJBHIAB-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 1618445671 BGYJGNIVSCJDDO-GOSISDBHSA-N 405.520 1.524 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1618788558 LXNBLZUDDYJIDK-JOCHJYFZSA-N 423.521 1.254 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1619042828 LLMFAQDCUXAVJH-HXUWFJFHSA-N 410.478 1.432 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3SCCO)CC2)c1 1623850706 ZXYDTIZSPHQIQH-UHFFFAOYSA-N 413.459 1.908 30 10 HDEE C[C@]1(CCCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)NC(=O)NC1=O 1624572323 AJMHNVCGQKHGNI-OXQOHEQNSA-N 401.442 1.303 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2nn[nH]n2)c1 1625037471 ZCANRTIPAUJOFE-PGMHBOJBSA-N 405.484 1.364 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cccc(C#N)c1 1625544580 FQBDMAIAFPYLJV-UHFFFAOYSA-N 401.444 1.661 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1B1OC(C)(C)C(C)(C)O1 1625650247 BKPCCLWUGCBNHH-UHFFFAOYSA-N 409.295 1.849 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CN(Cc2ccccc2)CC12CCC2 1627264868 ISSKYBJVTVZCOJ-HYHOCUEZSA-N 408.502 1.931 30 10 HDEE C=CCOc1ccccc1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1629259981 CLIULISFUVTYGD-UHFFFAOYSA-N 405.432 1.754 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)C1 1630966287 LRPHLKXEAVPSRM-FQEVSTJZSA-N 410.455 1.817 30 10 HDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1631208949 RPAKAKUGSWCRTM-GVDBMIGSSA-N 424.542 1.963 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1631262959 ZXMAZLCKVSXTJI-SJORKVTESA-N 422.526 1.860 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1 1632960527 IXPAOUPWKMSUBN-UHFFFAOYSA-N 416.330 1.637 30 10 HDEE CC(C)(C)OC(=O)N1CCCC2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)C1 1633361975 OJYDEEBDIXCRIX-ZCXUNETKSA-N 418.494 1.762 30 10 HDEE CN1CCC[C@@H](N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1633591336 FUFANQVVNSESMM-QZTJIDSGSA-N 407.559 1.812 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1634674638 VJIBNABCRGAMEW-IAGOWNOFSA-N 406.527 1.898 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)C3(C#N)CCSCC3)C2=O)c(OC)c1 1634975235 BTSLCDZJQBHFBW-INIZCTEOSA-N 403.504 1.958 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C3(O)CCOCC3)CC2)s1 1635223618 QYHOKWQIMMJLSM-UHFFFAOYSA-N 414.549 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CC[C@H](c2nn[nH]n2)C1 1636502207 NSYJSONBHZFAID-RDJZCZTQSA-N 423.477 1.922 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(C(=O)OC)nn2)C1 1638015292 LJSQZOYOTXOUJX-LSDHHAIUSA-N 419.482 1.535 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCC1(N2CCOCC2)CCOCC1 1638729495 ACVDPGHUZQANPE-UHFFFAOYSA-N 403.527 1.344 30 10 HDEE N#C[C@@]12CN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1639174971 HXLZBENRJKKOAZ-IPJJNNNSSA-N 423.494 1.554 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2CC(=O)OCC)c1 1639598761 ICMYQYFBIITUGG-UHFFFAOYSA-N 403.460 1.804 30 10 HDEE COc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)sc(C)c1Br 1639821995 PVEFMYOILHOQJM-LKFCYVNXSA-N 419.322 1.838 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1641047179 WHLOPTJUUFPHSN-HESSTHLMSA-N 407.511 1.773 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](n2cc(C#N)c(I)n2)C1=O 1641225919 DKWJLYCWJGOUGZ-SNVBAGLBSA-N 416.219 1.474 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O 1641583462 VDZDPKSGAXUCGH-MRXNPFEDSA-N 420.487 1.617 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@](C)(CC(C)C)C(=O)OCC)cc1 1645156380 UGUOQZAQBYWINX-FQEVSTJZSA-N 408.520 1.943 30 10 HDEE C=CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CC1 1645772234 VHLLHPYVODKOSS-NRFANRHFSA-N 415.490 1.700 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CC(n2cnc3c(N)nc(N)nc32)C1 1645911911 BHBXERGXLFQGRU-UHFFFAOYSA-N 413.239 1.322 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC[C@@](CO)(NC(=O)OC(C)(C)C)C2)cc1C#N 1645922692 AZWGCXWTCWUDLT-LJQANCHMSA-N 422.507 1.873 30 10 HDEE O=C1Nc2ccc(F)cc2C2(CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)O1 1647769476 RLZAUTUKLYHKMS-MSUUIHNZSA-N 400.366 1.342 30 10 HDEE C#CCN(CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1648281099 FDNADCARACLITC-LSDHHAIUSA-N 411.499 1.201 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCc2ccc(C#N)cc2)[C@@H]2CS(=O)(=O)C[C@@H]21 1648516293 RTJCFUFZJKQUJZ-MSOLQXFVSA-N 405.520 1.819 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1655205430 HTLJQZBUTVWZDG-FUHWJXTLSA-N 416.526 1.068 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 1655924521 NXKNBVYXVPDKAM-UHFFFAOYSA-N 421.924 1.709 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OCC 1662023630 GJDQTHGXQNQCJT-MRXNPFEDSA-N 414.911 1.982 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)Cc1ccc(F)cc1Br 1662999788 XXYUXIZUUCXFSW-UHFFFAOYSA-N 400.291 1.608 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)Nc3ncccn3)c2)C1 1670318692 NESCFKRNBBDGBF-INIZCTEOSA-N 414.491 1.497 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC 1674143309 JZLPCUBHDLNSCE-KBXCAEBGSA-N 405.451 1.701 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)nn1 1682390120 SDEIWQBGVVMKPJ-QGZVFWFLSA-N 414.466 1.082 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)c1 1684600305 HKCVBOPOACOAAE-UHFFFAOYSA-N 419.489 1.510 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1689848371 UECSRXZKTOFRJJ-OAHLLOKOSA-N 421.505 1.611 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1689980672 VYQINUNJCBQFFS-ROUUACIJSA-N 421.611 1.934 30 10 HDEE C#CCN(CC)c1nnc(C2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1690075957 YPKOZEHLJLIFKD-UHFFFAOYSA-N 406.512 1.503 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1690148338 CYTIEIRFHRAIAV-LJQANCHMSA-N 416.570 1.163 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)CC1 1690509984 PCJDUQPUTZFIRY-UHFFFAOYSA-N 409.494 1.436 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CCCO)C1CC1 1690545361 PDSISJZOBSFEJL-SJLPKXTDSA-N 423.583 1.182 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)c[nH]1 1690678447 WJOCDDCBHVTAHP-UHFFFAOYSA-N 405.260 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1690725180 HYSOVUZIPFBRAK-UHFFFAOYSA-N 421.498 1.434 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1691003401 GSJAQULXDUHIEZ-GLJUWKHASA-N 423.564 1.745 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H]([C@H]3CCCO3)C2)n1Cc1ccc(C#N)o1 1692545504 RUFJREICQINVGV-IAGOWNOFSA-N 414.466 1.313 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCO[C@@H]1C 1694081026 OQFYSKXTNJBSLD-PXIJXODZSA-N 412.494 1.866 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC(N(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701522242 QGZKKWRXNUSREV-FZWBFHRNSA-N 403.523 1.330 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1705504986 FVOSQWIFEBGJCQ-KFWWJZLASA-N 414.514 1.684 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1705559926 HBRSNLIDUFSUMJ-ZDUSSCGKSA-N 404.483 1.484 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1705563850 GXFOSMHNANSKEL-SFHVURJKSA-N 424.530 1.846 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1705581021 REIKSCIRSYZTKQ-SFHVURJKSA-N 418.457 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1705593921 YPAUHMCNIFVMJH-JOCHJYFZSA-N 410.474 1.577 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCNC(=O)C1)C(C)C 1705867585 QLRDUCQRVXGWAY-SFHVURJKSA-N 412.542 1.313 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC(F)(F)F)CC1 1705903920 ZMPBETSCMQBFGQ-UHFFFAOYSA-N 412.416 1.833 30 10 HDEE O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCO[C@H](CNCC#Cc2ccccc2Cl)C1 1717175560 JBJWVOUKPYWNKX-ORJOSYTKSA-N 400.906 1.932 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1722296642 SWZDKNFWZPIGSW-DZGCQCFKSA-N 402.476 1.415 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1722306501 KMSFXGNNGSSLAJ-LJQANCHMSA-N 414.554 1.619 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1722358892 NEYUHOREDLISKT-MRXNPFEDSA-N 421.567 1.645 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722457996 AZUFARSCJZLMJH-OAHLLOKOSA-N 416.551 1.044 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1722458282 YUAJYHFEKXSVKE-INIZCTEOSA-N 410.507 1.203 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1722685803 NFFQDYQHGXYARX-SJORKVTESA-N 419.555 1.491 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCCCCCO)c1 1731181632 RYLDWGAWYCQUEF-FQEVSTJZSA-N 410.522 1.890 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1740599340 YGBCPUNAQIUDCH-UHFFFAOYSA-N 402.886 1.456 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1740663409 IKWKIVVTSGXFDB-GOSISDBHSA-N 419.327 1.984 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1cccc(C(=O)NC)c1 1740682878 MNLAASAAYJRNPB-UHFFFAOYSA-N 406.490 1.778 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccccc1C1OCCO1 1740683677 MSXXCSHJYVDPEP-UHFFFAOYSA-N 420.473 1.915 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740714653 GDKGQRHJEUNZEK-GOSISDBHSA-N 414.579 1.809 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1740847548 LSPMHKGGQYJLIY-BZSNNMDCSA-N 416.570 1.988 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740991832 GFQNUPJTEQGBIE-HNNXBMFYSA-N 424.571 1.024 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1740995756 WPJYGSOGCMRBHJ-MRXNPFEDSA-N 416.555 1.866 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1741687189 HGCSGPKUCIAJKR-QGZVFWFLSA-N 423.521 1.823 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@@H](C)O1 1743320187 SNIBVLUPXKYTCT-HZPDHXFCSA-N 424.505 1.869 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748730802 UHPMPNMTZJEPAR-SFHVURJKSA-N 411.510 1.338 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1748731348 ASIBQRZIEPUCAY-KSZLIROESA-N 423.583 1.945 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1748788515 QPUSCENJNUEUPF-KRWDZBQOSA-N 421.542 1.861 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 1748823948 FXVLGQCOILAZKT-LJQANCHMSA-N 416.547 1.992 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)C)C1 1748960521 KRVFDAWVVGBUOO-QZTJIDSGSA-N 402.543 1.436 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1749020453 SYNGKAGVKUZDPT-OXJNMPFZSA-N 419.551 1.265 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc(COC)n1 1749064678 FXZAUURRGYKZJD-IFXJQAMLSA-N 400.508 1.873 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(C)c1C 1749067027 OUVJHTWIMQWHKT-HNAYVOBHSA-N 402.524 1.263 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2C)C1 1749698333 TYDGKAGPLBXGRA-GHTZIAJQSA-N 416.526 1.802 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)CCC1 1750255922 BOLCUKHIZWDWGI-STQMWFEESA-N 400.574 1.912 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCCN(CC)S(C)(=O)=O 1760232097 SLNJYXQLZUTJHC-UHFFFAOYSA-N 404.540 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(OC)CCOC1 1760245198 VMRSKAVVKJTPDQ-HXUWFJFHSA-N 415.450 1.745 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOC[C@H]2CCCO2)CC1 1760260587 YMFOPHBYLVBFQN-LJQANCHMSA-N 413.526 1.020 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760280858 NALKHCZLCTUFMM-UHFFFAOYSA-N 418.567 1.486 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760506368 LASWNMZICZCGAE-QWHCGFSZSA-N 405.421 1.693 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1761042031 MINCTIVMYXBCSI-NRTINQSCSA-N 416.526 1.864 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1764765136 HXMIPYNODTYTLY-MAUKXSAKSA-N 416.551 1.780 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#CCN3CCCC3)C2)cc1 1850309858 NBCNXCIZLPRTIB-SFHVURJKSA-N 419.547 1.311 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1851064281 AHCGXOBHEUDKPQ-QGZVFWFLSA-N 405.564 1.818 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)NCc2ccnc(C#N)c2)CC1 1851871995 JRNRUBUEIZKHBR-SJORKVTESA-N 413.478 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)NCC#Cc2cccnc2)CC1 1852592047 HQDXPCHGCUEWQK-MSOLQXFVSA-N 412.490 1.265 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CCn2c3c(c4ccccc42)CCCC3)CO1 1853605343 DDQNWVNIUKWRAH-OAHLLOKOSA-N 417.487 1.923 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4cnccn4)C(=O)C3)C2)c(F)c1 1854197118 YNWDEKUKCQMIES-KRWDZBQOSA-N 408.437 1.046 30 10 HDEE C#CC[C@@H](F)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1854615974 YHUWTZGTUBTNKS-WCQYABFASA-N 411.329 1.794 30 10 HDEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1 1854643739 SOGAGBACSSYWSX-MRXNPFEDSA-N 411.483 1.857 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1854699579 SHZWNHYCBQNOKY-SJORKVTESA-N 411.568 1.464 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)Cn3cccc3)C2=O)CC1 1854862016 FGAZMZNGTBRUPK-IBGZPJMESA-N 407.474 1.673 30 10 HDEE Cc1nc(C)c(CC(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)s1 1855008937 ZMMCSBDBDAUDPI-RHSMWYFYSA-N 403.552 1.740 30 10 HDEE COc1ccc(OCCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855073210 WMKMCNFMMMLRBB-QGZVFWFLSA-N 400.479 1.123 30 10 HDEE COc1ccc2nc(N3CC(C(=O)N4CCN(CCC#N)[C@H](C)C4=O)C3)sc2c1 1856189947 ZUVGZJHHJINOLQ-CYBMUJFWSA-N 413.503 1.714 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cnc4ccccc4n3)C(=O)C2)cc1 1856362682 NFABPZFHKPKVMS-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CC2CCC(=O)CC2)C1)[C@H]1CCN(C)C1=O 1857060483 FXAQRHZWADRKPR-MJGOQNOKSA-N 403.523 1.620 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3cnc4ccccn4c3=O)C2=O)CC1 1857196147 PRCBARDVMRQLKA-GOSISDBHSA-N 407.474 1.841 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1857238884 HZMDNODJXBWYNC-OAHLLOKOSA-N 415.519 1.736 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ncoc2CC(C)C)C1)[C@@H]1CCN(C)C1=O 1857270445 MCHHPLNJYRKDRR-HZPDHXFCSA-N 402.495 1.581 30 10 HDEE CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857310232 UXJFJYHDKCLKMO-SFHVURJKSA-N 403.504 1.845 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N(CCO)[C@H](C#N)c3ccc(F)cc3)ccc21 1857961185 YTGRQKCTGQEXSK-GOSISDBHSA-N 403.435 1.592 30 10 HDEE COc1cccc(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2C#N)c1 1858194170 CBBPLGQOMQDPTR-MRXNPFEDSA-N 406.485 1.949 30 10 HDEE C=CCOc1cn(CCNC(C)=O)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1870812168 PNZOOFDBWUQIPA-UHFFFAOYSA-N 424.457 1.387 30 10 HDEE C=CCN([C@@H](CC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CC 1872275646 WISSQINSPHZDBN-IBGZPJMESA-N 408.568 1.993 30 10 HDEE N#Cc1ccc(COc2nonc2C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1 1872708975 GRXNTJUJBQJCLC-UHFFFAOYSA-N 413.415 1.098 30 10 HDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCNC(C)=O)ncnc21 1875230828 PGBBZFMMVJEJBR-ZIAGYGMSSA-N 400.483 1.415 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 1892011374 VIBXYQYRZDKGGT-UHFFFAOYSA-N 420.433 1.020 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C[C@H](O)C1 1962848526 JOWLCEDYGHSNKJ-OAHLLOKOSA-N 401.529 1.704 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)[C@H](C#N)C1 1985203113 QSQYLJIWDPORIE-MOPGFXCFSA-N 415.538 1.678 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895079 HBCBXNKHOZXEMX-AWEZNQCLSA-N 421.303 1.859 30 10 HDEE C[C@@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(C#CCO)cs1 2057537967 WWIFRZUAIAMLIX-CYBMUJFWSA-N 418.496 1.369 30 10 HDEE O=C(N[C@@H]1COCC[C@@H]1N=C1NS(=O)(=O)c2ccccc21)OCc1ccccc1 2106034423 HCNXHSGNCYGPKW-DLBZAZTESA-N 415.471 1.809 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNS(=O)(=O)c1ccc(C#N)cc1Cl 2124713558 LICNLWMHHKWQHW-MRXNPFEDSA-N 403.888 1.766 30 10 HDEE C#CCN(C(=O)[C@@H]1[C@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@@H]1CCS(=O)(=O)C1 2180095381 RIUVNSZJZWCBGP-AGIUHOORSA-N 406.451 1.041 30 10 HDEE CCC(C#N)(CC)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197741011 WYCQGKIWGMACTG-CYBMUJFWSA-N 401.529 1.998 30 10 HDEE CC1(C)OB(/C=C/CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)OC1(C)C 2242193264 XWLJVNNRSFRRLE-JXMROGBWSA-N 420.296 1.390 30 10 HDEE COC(=O)[C@@H](CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2245264649 AFCGXSUIQWWJCS-WTNCMQEWSA-N 412.292 1.747 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247918208 NPXMLJGLYQMKIQ-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE CN1CCN(C(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)[C@H](CNC(=O)C(F)(F)F)C1 2247937498 MSIUWAONHJRTDE-JHJVBQTASA-N 419.253 1.290 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056387 QBBKUBUZVNQFTK-QWHCGFSZSA-N 418.303 1.419 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248064821 ZSESFFATNCNCNU-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCC#CBr)O[C@@H]2C1 2250002284 JDWQVVRPXIJQSR-YNEHKIRRSA-N 403.273 1.252 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2281817046 GOKHHQUFGFPESH-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE COCC[S@](=O)CCNC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2281942996 LHPCOWLCWJHOCO-AREMUKBSSA-N 401.359 1.481 30 10 HDEE CN1CCO[C@@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281967477 YCMHEQYFMBNCFK-NSHDSACASA-N 400.737 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)[C@@H](F)C1 2282325681 IHPZKYIOIXUZDU-NWDGAFQWSA-N 405.322 1.449 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282325697 IORLLMGGMLMDEH-RUZDIDTESA-N 423.387 1.789 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1C 2282330508 AKMUXWPHUYPOKF-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282345048 NLYRWTDJPQNIDE-WPRPVWTQSA-N 415.264 1.637 30 10 HDEE CC1(C)[C@@H](CN)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282409779 RUPSTRDHAZREFD-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE C[C@@H]1OC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282498917 LCJMVQPGCIAZQY-GRYCIOLGSA-N 402.347 1.285 30 10 HDEE C[C@@H](CC[S@](C)=O)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282545486 RPCIUZPBLRWOKR-ZHZWEUQESA-N 403.741 1.260 30 10 HDEE CO[C@@H]1CN(C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282629088 RRGSTCWMUQAKRW-VXGBXAGGSA-N 400.737 1.760 30 10 HDEE CN(C[C@H]1C[C@@H]1CF)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839612 GQJMSAFYYJOYAX-VXGBXAGGSA-N 404.338 1.810 30 10 HDEE COC1(OC)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282844599 GMGBGALSUHZYBS-UHFFFAOYSA-N 403.331 1.182 30 10 HDEE CC(C)[C@@H]1COC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876564 FQWYTZONVQIXOD-JSGCOSHPSA-N 401.359 1.997 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)C1O 2282877376 QNXPEFAGORDHOT-VXGBXAGGSA-N 401.359 1.685 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)CS[C@@H]3CCS(=O)(=O)C3)s2)OC1(C)C 2284020508 MSXMSRRWCIOPST-SNVBAGLBSA-N 418.371 1.301 30 10 HDEE C=C(CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284398052 TUXCQNWJJITQGJ-CYBMUJFWSA-N 401.315 1.851 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](C(=O)O)C3COC3)sc2Cl)OC1(C)C 2284463100 RHVQNEZQJMTEHD-NSHDSACASA-N 401.677 1.530 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2)CC1=O 2327842450 AJOPYRLWZYZTLF-CYBMUJFWSA-N 418.498 1.991 30 10 HDEE C#C[C@]1(O)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338829789 RMNORZFZVKSEII-NRFANRHFSA-N 418.515 1.633 30 10 HDEE C=CCNC(=O)CNC1(C(=O)O)CCC(C)(NC(=O)OCc2ccccc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n1cc(S(=O)(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)nn1 2369961247 RXZQYRQTDGSUDQ-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 6881296 IDIXVYAEJJYNHS-UHFFFAOYSA-N 424.523 1.171 30 10 HDEE C=CCN1C(=O)C(=c2sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21 254405961 GYQVVDBGGWKJBC-UHFFFAOYSA-N 414.446 1.629 30 10 HDEE C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ncc(OC)cn2)cc1 427787316 GRDILSGSXFCPFC-UHFFFAOYSA-N 412.493 1.994 30 10 HDEE CC(=O)NCCc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)s1 460792246 LOAAVQYEDNXENR-UHFFFAOYSA-N 416.488 1.680 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN(c3cc(OC)ncn3)CC2)c(OC)c1 461353839 WXVWSDPPHRMZEI-GOSISDBHSA-N 414.506 1.784 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C 464862091 GNQXMYDJLYDTFM-OAHLLOKOSA-N 419.489 1.623 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 471000709 IPDIJKSROPCQMR-BEFAXECRSA-N 417.941 1.648 30 10 HDEE CCn1nc(C)c([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479857973 FGZLEVJURCCIQG-UHFFFAOYSA-N 404.452 1.502 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1 487013652 MIKOXZQNHQMPNZ-UHFFFAOYSA-N 402.476 1.625 30 10 HDEE Cc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1=O 502884171 CIAOYXXUCUBMQR-OAHLLOKOSA-N 401.448 1.536 30 10 HDEE CC(C)[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1CCCS1(=O)=O 505213110 HOQXUVWCHFJYCX-LJQANCHMSA-N 405.520 1.988 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)CC1 505257763 NUQUANGDTQRLEG-UHFFFAOYSA-N 406.508 1.854 30 10 HDEE CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1CCN(c2cccc(C#N)n2)CC1 546213816 YKJQPPPHKVJHIF-UHFFFAOYSA-N 404.474 1.839 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](C#N)c2ccc(F)cc2)c1 547453750 SZBUYHQFUGMHHO-QGZVFWFLSA-N 418.450 1.187 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)cc1 557142776 FLOHAGQYHGVXRC-UHFFFAOYSA-N 417.409 1.611 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 581340830 QADBFTFJHMSKCF-HNNXBMFYSA-N 414.491 1.169 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CC1 611091506 OQUCXNKRMNBJLD-QGZVFWFLSA-N 404.536 1.285 30 10 HDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(F)c2)c1=O 623010665 SIIBRGPEJQBRMA-UHFFFAOYSA-N 413.474 1.009 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2C)c1=O 725762142 FWVWLNLEJADBPW-UHFFFAOYSA-N 400.475 1.876 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccnc(Sc3ccccn3)c2)CCN1C1CC1 737200173 YOMMEWYGGRYBET-MRXNPFEDSA-N 408.487 1.765 30 10 HDEE Cn1ccnc1C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 745813309 KFEYQOGFMAVUPN-JVMRMLDLSA-N 408.462 1.530 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccc3)c2=O)cn1 748063837 CBDGFMNGNSECRA-UHFFFAOYSA-N 418.522 1.758 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 755514847 LTWNRWMSUISLMG-OAHLLOKOSA-N 419.453 1.885 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)OC[C@H](C)CS(C)(=O)=O 757983005 CJYZZARFLSAGBQ-VBKZILBWSA-N 420.487 1.375 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 758759716 BRLLCUNRLHESED-AGIUHOORSA-N 408.459 1.677 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760405225 YLNFKUNDROIDEA-UHFFFAOYSA-N 413.521 1.471 30 10 HDEE C#CCN(Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@@H]1CCS(=O)(=O)C1 767891582 GRYSFGAQEVBUCZ-CQSZACIVSA-N 421.475 1.385 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CCC1 771073613 DUFNMCZUZFNXGT-GFCCVEGCSA-N 417.534 1.041 30 10 HDEE Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 773249236 LVNDBSPELVPMEP-INIZCTEOSA-N 414.416 1.503 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)C#Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 773446943 DNVAWTZSBAFSGR-LSDHHAIUSA-N 400.456 1.495 30 10 HDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(S(N)(=O)=O)cc1C#N 777843863 UTMBZAWASQXXPQ-FQEVSTJZSA-N 400.504 1.279 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 783737497 LLJQJFBIHHBYFC-PSEQUABUSA-N 418.494 1.903 30 10 HDEE C=CCOCCNC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786185303 XYZGOKQQCATXEE-UHFFFAOYSA-N 406.487 1.858 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(Br)o2)n1 788694653 SSNGJXJSWRQNLY-UHFFFAOYSA-N 402.270 1.709 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(=O)(=O)CC)cc2)n1 789166582 PUHTVMIYWLZNIC-UHFFFAOYSA-N 418.519 1.668 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2=O)cc1 790855190 JNLMYVDQKQUXAX-FXBPSFAMSA-N 422.507 1.077 30 10 HDEE CCOc1ccccc1S(=O)(=O)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 793185088 HTNHGJQDONNWRO-UHFFFAOYSA-N 418.475 1.975 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 794580644 YKYPEPFXCLMJDK-OAHLLOKOSA-N 414.531 1.331 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 800783289 RVULSOBLEADUED-SFHVURJKSA-N 412.494 1.411 30 10 HDEE C#CCN(C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1)[C@H]1CCS(=O)(=O)C1 806805543 BAYPSUZXBUERGK-AWEZNQCLSA-N 408.455 1.400 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 806812780 LGHVZQFHZWWQPK-UHFFFAOYSA-N 401.532 1.080 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 809926713 QBAGLLDMDPBMRS-SFHVURJKSA-N 417.535 1.668 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)c1ccc(F)cc1 812933473 DGMDEYAZMTUBOM-KRWDZBQOSA-N 406.439 1.345 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1)c1ccc(F)cc1 812934851 QRWQHSFPKBKKGA-IBGZPJMESA-N 416.478 1.679 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 816461390 OFBLEQVCELSHBC-ZDUSSCGKSA-N 415.431 1.527 30 10 HDEE CN1CC[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[C@@H](c2cnn(C)c2)C1 849490754 PJTXOCBTZKNHKU-BHDDXSALSA-N 406.534 1.864 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916775551 WGGFFJDEBWGNBW-WQVCFCJDSA-N 403.460 1.068 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(Cn3cccnc3=O)c2)cc1 918331348 PUTJNCUNLIJNGU-UHFFFAOYSA-N 422.466 1.455 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192624 NLSIINQGGRXNKW-QGZVFWFLSA-N 410.559 1.811 30 10 HDEE CC(=O)Nc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc1 1084642715 SZGQFIQRNUJYSF-UHFFFAOYSA-N 413.467 1.673 30 10 HDEE Cc1cc(NC(=O)CN2CCN(CC(=O)NC3(C#N)CCCCCC3)CC2)no1 1087873945 KNJHPPDQPAXANI-UHFFFAOYSA-N 402.499 1.272 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)nn1 1124239874 DEMHPRZEHSCRFR-UHFFFAOYSA-N 405.480 1.900 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)cc(C)c1C#N 1125064065 HRPAITDHKRPJMF-UHFFFAOYSA-N 416.459 1.014 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(C#N)(c2ccccn2)CC1 1128479752 HPDTUBYQSDYJHZ-UHFFFAOYSA-N 400.479 1.561 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccccc2-n2ncc(Cl)c(Cl)c2=O)n1 1128812132 BPTPOIFNRWNVIQ-UHFFFAOYSA-N 404.217 1.432 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1129457589 JFMMIJLFQAFHSG-OAHLLOKOSA-N 402.451 1.029 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN(C)c1cc(Br)ccc1[N+](=O)[O-] 1132452686 VWLKQUHTCLDHRG-UHFFFAOYSA-N 413.228 1.709 30 10 HDEE CC[C@H](C)n1ncc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc(C)nc21 1134053472 XKVLXXBTBAFRNB-NJSLBKSFSA-N 401.492 1.721 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1136176719 IKMNJKQXGUUQAW-ZWOKBUDYSA-N 408.568 1.970 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC#Cc1ccc(C(F)(F)F)cc1)c1cc[nH]n1 1137246934 PLRRWUPUWJLFFI-UHFFFAOYSA-N 422.363 1.880 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)c1ccc(S(=O)(=O)N3CCC(O)CC3)cc1)C2 1143410595 WZNAEIGUCHXVAF-UHFFFAOYSA-N 411.483 1.860 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)C(=O)/C=C/c2ccc(F)cc2)cc1 1152375777 ZXGCWILTQDMWHR-NYYWCZLTSA-N 406.435 1.975 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3CC[C@@H](c4ccccc4)NC3=O)CC2)cn1 1154223571 KGAJMHQNUOKLPB-FQEVSTJZSA-N 404.474 1.758 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@@]3(CCOC3)C2)C1 1154959217 SNPAAWLTUSHKLT-SFHVURJKSA-N 406.280 1.775 30 10 HDEE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@@H]1CCCN(O)C1=O 1159641437 LRLHFMWOTAWCEH-PCRWRXJSSA-N 423.491 1.913 30 10 HDEE Cc1c(C#N)c(=O)n(CCCOc2ccc(S(C)(=O)=O)cc2)c(=O)n1C1CC1 1166660523 FSNOMBIFFZMLNH-UHFFFAOYSA-N 403.460 1.398 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1169301753 XPAXTNRFRMULSW-KRWDZBQOSA-N 402.495 1.907 30 10 HDEE CC(C)NC1(CO)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1170469017 KOCYAAAEEPARDY-UHFFFAOYSA-N 411.468 1.998 30 10 HDEE N#C[C@@]12CN(C(=O)CCCOc3ccc4c(c3)CCC(=O)N4)C[C@H]1CS(=O)(=O)C2 1178756599 BIUQEVWJHIDXIS-YWZLYKJASA-N 417.487 1.127 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1OC 1219086636 IYPUDOXGBONHPU-JSGCOSHPSA-N 419.297 1.947 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)c1 1252107421 GLGWIYWFNOJDEF-GOEBONIOSA-N 404.492 1.250 30 10 HDEE CO[C@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[C@H]1CCOC1 1252898781 ATVBGBNUJJINGY-PKOBYXMFSA-N 400.479 1.970 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 1254382817 NHOZJPIURDMXSS-YJBOKZPZSA-N 400.460 1.664 30 10 HDEE N#Cc1ccc(CC(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)cn1 1271998935 HNWAAUKTESCDSN-UHFFFAOYSA-N 413.286 1.897 30 10 HDEE CC(C)C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1277188343 ITAXXRBVVVCITB-IRXDYDNUSA-N 424.542 1.963 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(Cc3ccc(Cl)cc3)CCCOC2)C1=O 1278778478 VIVOCQPBBNLPGP-FQEVSTJZSA-N 419.865 1.525 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1286296590 QIQNCLVEGIOCME-KUHUBIRLSA-N 406.483 1.016 30 10 HDEE C#CCCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286333590 LTQUQNRETGWAHX-IBGZPJMESA-N 420.517 1.014 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386348 YSMCRXHUERKUOR-IRXDYDNUSA-N 424.567 1.350 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCOC1 1286432146 YYBCWEQDECUXMB-KNQAVFIVSA-N 408.458 1.405 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)CC1 1286713507 YXJWWISLNPYGQT-UHFFFAOYSA-N 414.535 1.678 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(OC)CCOC2)C1 1286811464 CDPKYUVQJSURDM-GHTZIAJQSA-N 416.526 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCC3(CC3)C2)nnc1[C@]1(OCC)CCOC1 1286824745 HTLVSBITQITLPV-FQEVSTJZSA-N 424.567 1.911 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1nc2ncc(Br)cn2n1)C(=O)OCC 1287775957 GFAYUHOFPYAMCP-VIFPVBQESA-N 402.636 1.691 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCOCC1CCOCC1 1288099905 JYAALLDPVPSQNP-FQEVSTJZSA-N 422.505 1.692 30 10 HDEE Cc1c(Br)ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1F 1289203298 DIWXXBXMPHCTCI-BONVTDFDSA-N 401.257 1.907 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N(C)C 1291622458 ZLCFRTWUPGVMQN-INIZCTEOSA-N 410.526 1.863 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@@H](CCC(N)=O)C3)C2=O)cc1 1292742352 BIPDIYGHYRAZJR-DOTOQJQBSA-N 411.462 1.267 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(CC#N)CC3)nn2)C1 1293713281 RQWXKKBUJRITIX-OAHLLOKOSA-N 403.487 1.131 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)nn1 1295406610 VDWNOIHGBJQOPI-QGZVFWFLSA-N 402.886 1.492 30 10 HDEE CO[C@@]1(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@H](C)CC#N)CCOC1 1299806563 MTKSKFKNGXRZGI-BFUOFWGJSA-N 402.455 1.550 30 10 HDEE N#CC1(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CCCC1 1300228504 OJGJZHMYQDBXNA-MRXNPFEDSA-N 406.464 1.948 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1=O 1300330441 YZQMAEXOILTPLW-AOIWGVFYSA-N 403.527 1.863 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300413373 UQGFQLADSJBSHE-JOCHJYFZSA-N 421.505 1.492 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(O)CCOCC1 1300538514 SYBJHIFLNKRQSQ-UHFFFAOYSA-N 400.429 1.761 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCC)CC1 1300719078 NYCWJDORKIUYRK-UHFFFAOYSA-N 416.913 1.996 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccn2C)CC1 1301284360 KWOWTWUXTLDURT-INIZCTEOSA-N 402.495 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CC)C1 1301567570 JPAWHATYGOMCRZ-HNNXBMFYSA-N 418.523 1.763 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCCO2)C1 1302979517 RCVKUIASGLNDBS-QMTMVMCOSA-N 406.462 1.257 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(F)cc1F 1304273475 XPUUZFBRDNXWRJ-KPZWWZAWSA-N 406.414 1.469 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](c2ccccc2)C2CCCCC2)c(=O)n1CCO 1307388522 FGESAVKHSGJKQZ-OAQYLSRUSA-N 424.501 1.620 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](Cn3ccnc3)c3ccccc3)CC2)o1 1308032068 BSQKGDGMXGSWPO-FQEVSTJZSA-N 419.489 1.731 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nc(C)co3)c2)CC1 1310433019 QXLYPZROGHGXBR-UHFFFAOYSA-N 403.464 1.267 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1=O 1311243899 NFPCFZJKMHBESS-SFHVURJKSA-N 416.482 1.597 30 10 HDEE COC[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(Cl)c1 1312819575 CMEJPYPKBCJCPT-OAHLLOKOSA-N 403.826 1.428 30 10 HDEE CCOCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1314453471 LIMJWMJSJACNPW-AWEZNQCLSA-N 402.455 1.551 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)cc(OC)c1 1316210551 PEXSXQVCFSQAFJ-KSSFIOAISA-N 419.457 1.927 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1316347444 FQLCBYOIEQDKNL-OAHLLOKOSA-N 412.475 1.267 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1353654470 BKQLRVZLDTXULG-LBPRGKRZSA-N 405.303 1.865 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccn(CCn3cccn3)n2)cc1 1354562825 GMQORFWWDGTGIK-UHFFFAOYSA-N 414.491 1.839 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@@H]1OC 1358997324 OGGWCCUHCVGMJQ-UXHICEINSA-N 410.522 1.654 30 10 HDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCN(C)C1 1359018942 GZIWFGORHRFHAP-QHCPKHFHSA-N 423.561 1.901 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(CC(C)C)c1C 1359023181 CFBIAIGLHKBDHO-SFHVURJKSA-N 413.526 1.524 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1359208163 GZOUEICVFLCHLN-CQSZACIVSA-N 424.571 1.350 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1359222614 NAKGIWUFRRPAKK-ZDUSSCGKSA-N 407.487 1.717 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(-c2nc[nH]n2)cc1 1360162807 SZRMNZQFFLHILN-AWEZNQCLSA-N 407.482 1.988 30 10 HDEE N#CCc1ccnc(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)c1 1445579623 ADGLOANZSPHYQC-UHFFFAOYSA-N 400.460 1.545 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)[C@@H]3CCC[C@H]3C#N)cc2)CC1 1454650086 FPSUYFMMCLNWFV-PKOBYXMFSA-N 418.519 1.304 30 10 HDEE CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457197470 QDASOJDAMWMZPA-LJQANCHMSA-N 405.455 1.287 30 10 HDEE COC(=O)c1c(NC(=O)CN2CCN(C(=O)CC#N)CC2)sc2c1CC[C@@H](C)C2 1460126099 OYMBIOYLDMNQNC-CYBMUJFWSA-N 418.519 1.656 30 10 HDEE COc1cc(OC)c(CNC(=O)CN2CCC3(CC2)CC(=O)C=CO3)c(OC)c1 1460857423 JYJIKWLCQKUBBV-UHFFFAOYSA-N 404.463 1.666 30 10 HDEE Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1461662014 NAJOALWTUVLJGL-MJGOQNOKSA-N 415.519 1.753 30 10 HDEE C#CCN(CC(=O)N1CCN([C@H](C(N)=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1463886016 NGQDCYFXMHUBDU-IBGZPJMESA-N 414.506 1.228 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCN2CCC3(C2)OCCO3)n1 1466152419 DKHXOKXBZTXXHR-UHFFFAOYSA-N 400.414 1.453 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1nn(CCS(=O)(=O)CC)cc1C 1466370484 AGKRAOQNXVTBTP-UHFFFAOYSA-N 412.512 1.435 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c1 1468336554 FCRGWUQHWKBINW-AERCQKQUSA-N 409.511 1.458 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1)C1CCOCC1 1469479635 YSOJRUVMZRHOFZ-LBPRGKRZSA-N 405.929 1.407 30 10 HDEE COC(OC)C(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)CC1 1469991577 MDOFPUPVWIXVAO-UHFFFAOYSA-N 410.474 1.869 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccnc(C(=O)OC)c2)ccc1F 1470603446 TYUQNTYYABOOCR-UHFFFAOYSA-N 407.423 1.402 30 10 HDEE Cn1nnnc1C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1471704116 SMJQQLAXPSKHHV-AWEZNQCLSA-N 413.869 1.494 30 10 HDEE CCOCc1nnc(N2CCC(C)=C(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503051898 VUKDCTXWYCISQG-VHEBQXMUSA-N 400.483 1.888 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@@H](C)C#N 1503253308 RCZLOWANXNJFBC-ZDUSSCGKSA-N 406.468 1.884 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)C1 1505315913 UGDYHEKZXPHKSU-WMLDXEAASA-N 409.512 1.926 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCN(C)C(C)(C)C1 1507518094 KQEHSPMLOBZYJH-GCJKJVERSA-N 418.586 1.414 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1507531777 DCSNKODBRWGJBV-CYBMUJFWSA-N 400.483 1.626 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1507562963 BUFSRNZGJAFXRW-XWTMOSNGSA-N 421.567 1.649 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1CC 1507667849 SOLJLVDWGFAWSD-SFHVURJKSA-N 407.522 1.599 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1507710275 LYASJKNXXISIRD-JOCHJYFZSA-N 408.506 1.579 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507774130 UEMSDZPGNIRIDP-WZONZLPQSA-N 422.533 1.751 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1507829675 INQFDHLCLWUUOM-JKSUJKDBSA-N 401.515 1.388 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1507941461 HGNQAHZVZMPZEX-MRXNPFEDSA-N 408.466 1.886 30 10 HDEE C=CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCS(=O)CC2)cc1 1508098231 YZDVWIOVPJLWDD-UHFFFAOYSA-N 417.535 1.598 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccn(CC)c2=O)C1 1508126218 TYZOIGGMPOYNEI-DLBZAZTESA-N 412.494 1.240 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1508159402 NJPSLWUJLWNDEL-JKSUJKDBSA-N 421.567 1.923 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cn(C2COC2)nn1 1508419224 ODQVRTDHYGSGFP-GFCCVEGCSA-N 413.873 1.800 30 10 HDEE CN1CCN(CCn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1517417456 CGZIQVIGPWTSNG-QGZVFWFLSA-N 410.526 1.095 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc(Cl)c2)c1CC)[C@@H]1CCS(=O)(=O)C1 1528599733 DJUMIOYNEOJSEC-OAHLLOKOSA-N 406.895 1.746 30 10 HDEE COc1ccc(NC(=O)c2cnn(CCC#N)c2C)cc1S(=O)(=O)NC1CC1 1532122450 KQJPMKLJRKSHEZ-UHFFFAOYSA-N 403.464 1.807 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccn(C4CCOCC4)n3)C2=O)cc1 1532989297 BSNZEAQUOYQLDZ-KRWDZBQOSA-N 422.445 1.950 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@]3(COC)C(=O)OC)cc2C1=O 1534048266 PPWHLQJFIHDTJB-NRFANRHFSA-N 400.431 1.653 30 10 HDEE N#Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)nc1Cl 1538084526 SSUYVWJWZASSCG-UHFFFAOYSA-N 400.794 1.593 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1538419748 UQEMCZTXYPPCFB-UHFFFAOYSA-N 420.437 1.455 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccnc(OC2CCOCC2)c1 1539278407 BFFFJVMMRZLSHM-UHFFFAOYSA-N 409.490 1.889 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccc3c(c2)CCO3)CC1 1539428607 UOECSTXDTBNLGN-UHFFFAOYSA-N 422.533 1.349 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1539722098 KKIBZJNMGOOIGW-QGZVFWFLSA-N 420.558 1.750 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC)C1 1539902593 KYVLIWARSZAQPV-CABCVRRESA-N 415.560 1.342 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539998916 SJWSWBWQSHFXDN-KRWDZBQOSA-N 417.558 1.186 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1540072814 NVZHMCBUAZGRPF-OAHLLOKOSA-N 413.507 1.431 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@@](F)(C(=O)NCCNc2ccc(C#N)cn2)C1 1540697951 WDDMOHSIVYLRQX-FQEVSTJZSA-N 419.457 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(C)(C)C)C1 1540897273 FUHABRJHZOBERT-HNNXBMFYSA-N 411.572 1.890 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1541992657 PBHKBUHCJNZRKR-INIZCTEOSA-N 416.526 1.584 30 10 HDEE C[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1)NC(N)=O 1542096311 IJSGIXRILOVDRY-UAHGDZPKSA-N 409.512 1.665 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNC(=O)c1cccc(Br)c1 1542711048 SLEBIEXYPBZVAN-UHFFFAOYSA-N 403.236 1.890 30 10 HDEE N#CC1(CC(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1 1544574257 IMBIJSGRECSDTM-UHFFFAOYSA-N 402.470 1.691 30 10 HDEE C=CC(C)(C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1556592913 IVRFLTXLKAZAOY-KFWWJZLASA-N 400.541 1.985 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1)C(=O)OC 1556970446 YEAAAHLBCWEESV-GOSISDBHSA-N 422.503 1.167 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)cnc21 1557539110 JPPTVBIMYWNLOL-UHFFFAOYSA-N 405.414 1.341 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCC12OCCO2 1557575482 RRBQPOSEMYABPI-QGZVFWFLSA-N 421.519 1.697 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccnc2N2CCC(O)CC2)c1 1557733115 OXTNDUQIZKEBKP-UHFFFAOYSA-N 418.450 1.731 30 10 HDEE Cn1c(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc(=O)n1-c1ccccc1 1558461094 NPVGXHRWEBQSOX-UHFFFAOYSA-N 424.482 1.279 30 10 HDEE CNC(=O)[C@@H](NC(=O)CNC1(c2cccc(C#N)c2)CCOCC1)c1ccccc1 1560008318 LERPKBADGQCXSL-NRFANRHFSA-N 406.486 1.757 30 10 HDEE COC(=O)[C@H](CC1CCOCC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1583505268 RFCXCPLEPCTORU-SFHVURJKSA-N 422.503 1.852 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC2(OC)CCC2)C(=O)OCC)cc1 1583646166 QWYKMGRIYJSOCO-KRWDZBQOSA-N 422.503 1.219 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)cn1 1584532501 PPFNWRWXZKFIHN-IBGZPJMESA-N 410.499 1.879 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1587770359 ZVAZYMFNQSMOBE-HXUWFJFHSA-N 402.587 1.875 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1588045510 MBQXPHDXWDJJKA-GOSISDBHSA-N 411.487 1.917 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2O)CC1 1588199721 WTNRTQWSIUFPRR-UHFFFAOYSA-N 415.471 1.410 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCOC1 1588246033 ZKXSSFHDVTVQNH-QHCPKHFHSA-N 408.502 1.686 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)CC1 1588751477 LAYVQBRCUPDSNY-SJLPKXTDSA-N 402.543 1.987 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1588806268 LHOVQTDMYZLNNH-QZTJIDSGSA-N 400.571 1.799 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](c2cccs2)N2CCOCC2)CC1 1588836640 NARQSLYWNXVLSF-GOSISDBHSA-N 414.579 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2cccnc2OCC)CC1 1588924162 VRQHMLHJVGRRFI-UHFFFAOYSA-N 408.506 1.963 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CCOC)C(=O)C1 1589569232 OFQJACOOJWVQND-APWZRJJASA-N 407.515 1.091 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@@H]1C 1595116443 RQOGIPGDVGSWGE-NRJQMVOHSA-N 411.506 1.962 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1 1595219883 ZKRFOJSBORHURX-AWEZNQCLSA-N 410.931 1.909 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595562084 NHOIYSDUWWGTLZ-AWEZNQCLSA-N 410.400 1.334 30 10 HDEE CCOC(=O)[C@@H]1S/C(=N/C(=O)CS(=O)(=O)c2ccc(OC)cc2)N(C)[C@H]1C 1613902929 HUEMCGDOMSTLKJ-QZGXCONTSA-N 414.505 1.350 30 10 HDEE CCn1cnnc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(C#N)C1 1615749172 ARRAYSYVBZHILX-HXUWFJFHSA-N 408.514 1.930 30 10 HDEE CN1C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCCCO)CCN2C1=O 1618461852 IDGUWIWHJNXITF-SFHVURJKSA-N 409.494 1.535 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](C(=O)C4CC4)C3)CC2=O)cc1Cl 1618752441 IOGWXITVTVEZFQ-YOEHRIQHSA-N 401.850 1.771 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618789169 WQLLOLQXDQPIJL-UHFFFAOYSA-N 407.434 1.518 30 10 HDEE C#CCC1(NS(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)CCC1 1622598200 OBKGDEIYAGPBPJ-MSOLQXFVSA-N 406.504 1.888 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)CCC2=O)cn1 1623494671 PDRSMFFFPGLJOQ-XLIONFOSSA-N 424.480 1.711 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccnc(N3CCOCC3)c2)c1 1625074546 UUVHKLCOTCLUFH-UHFFFAOYSA-N 418.450 1.285 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1627848480 OBLOJHZSZXZUEM-UHFFFAOYSA-N 400.456 1.496 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C1(F)F 1631463735 QIAFGFHBAQIJBP-HUUCEWRRSA-N 416.469 1.467 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C(C)C 1635500766 YRNMNLZQVULMTE-UHFFFAOYSA-N 419.547 1.478 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3n[nH]c(C)n3)ccn2)s1 1637408083 SYVYEUMIXCUHQF-UHFFFAOYSA-N 418.504 1.882 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 1637450023 UNQNAKFTHDTIRX-SFHVURJKSA-N 400.504 1.359 30 10 HDEE CNC(=O)CC1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCCC1 1641127454 XMMAZGJWFSNNJF-UHFFFAOYSA-N 409.483 1.939 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CCO1 1641614968 UDCOVBHWXOCTMP-FQEVSTJZSA-N 408.458 1.907 30 10 HDEE CC[C@@H]1[C@H](CO)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641669128 ZTIDCIAFCZWSOT-PKOBYXMFSA-N 405.520 1.578 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCC1=NNC(=O)C1 1641916609 VZDZDDKBGQPODX-OAHLLOKOSA-N 419.507 1.056 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1643379896 SJEZSMBHDZHDSP-GOSISDBHSA-N 417.531 1.084 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@]1(C)C[C@H](O)CN1C(=O)OCc1ccccc1 1643858605 JXEODOZWBNKJSN-JXFKEZNVSA-N 403.435 1.064 30 10 HDEE COC(=O)CCN1CC[C@H](N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1644506621 DVAQDOTUKHSVNO-IBGZPJMESA-N 407.474 1.392 30 10 HDEE C#CC1(O)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)n2C[C@H]2CCCO2)C1 1648355667 SWXYMDPYXOBCRC-MRXNPFEDSA-N 416.478 1.562 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1ccc(F)cc1 1652034176 MPNVKSUIUHHPNC-CXAGYDPISA-N 405.451 1.084 30 10 HDEE C#CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CC1 1664066837 MFNKDPIRXDQOTM-UHFFFAOYSA-N 410.439 1.561 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 1673781045 XXWBWJXVWCDGRW-UHFFFAOYSA-N 400.526 1.202 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)cc1 1680555641 HQSPSEJVAGFQOF-INIZCTEOSA-N 409.412 1.943 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCC1 1680923698 CRLKYCKZBRFNEA-SUMWQHHRSA-N 412.512 1.014 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1682226038 AZRHWIPLJFTNLX-WWNBULGVSA-N 413.522 1.456 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1682526061 QYOPMFYDLVUJCY-UHFFFAOYSA-N 410.443 1.428 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H]2C)CC1 1684436313 KDSOAMOJOXEPLE-JCGIZDLHSA-N 424.954 1.832 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689963034 YEDWPJTWROPUJY-HNNXBMFYSA-N 405.499 1.883 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1690025050 BQLAJTUSZIWQOQ-GOSISDBHSA-N 414.535 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1690039836 UQDRDQOGRDYCSF-UHFFFAOYSA-N 421.501 1.666 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)CCN1CCOC(C)(C)C1 1690169857 QRJSTZFKVGSSQH-UHFFFAOYSA-N 417.583 1.592 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCOC[C@@H]1C 1690211008 QFTVPDADOWNDKC-LAUBAEHRSA-N 400.527 1.113 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(C)=O)C1 1690245695 LVCBSJBMHMUAQW-MTNOOBJLSA-N 416.526 1.315 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1690993902 SAGDTHPLPKPXOR-KBPBESRZSA-N 410.482 1.436 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1690996066 UAHJYMUOPDTEKT-JXFKEZNVSA-N 406.531 1.829 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCCCO 1691871274 RFCZBNMSEGHLLP-MRXNPFEDSA-N 414.514 1.177 30 10 HDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H](C)CC(N)=O)s1 1693446459 IDGRBYJBLNOUIN-LBPRGKRZSA-N 410.507 1.920 30 10 HDEE CC[C@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1693924655 SWENBZGCEQKCPF-PXNSSMCTSA-N 415.567 1.971 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[S@](=O)C(C)(C)C 1698134368 JGSDXCKTVLXBTI-CRYBNRRWSA-N 415.535 1.991 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1705493266 FTHDIAVXNDLUTH-FXAWDEMLSA-N 422.533 1.568 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1705494311 YCARCMLUPHJNRL-QAETUUGQSA-N 402.543 1.575 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705523083 JYLICCBQOVGTBD-IRXDYDNUSA-N 400.527 1.857 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1705560449 KSLKURHNLDMHPB-IRXDYDNUSA-N 407.584 1.687 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1705679339 JYYRNVMBDODJPB-ZDUSSCGKSA-N 423.319 1.758 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1705725776 QIRSAWRVPCXLKS-HNAYVOBHSA-N 420.539 1.242 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1711026038 CMWZDXFCUVMOEW-FVQHAEBGSA-N 400.508 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1722386150 QMCZVQNBQGZRPU-UHFFFAOYSA-N 415.519 1.130 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCC 1722390783 UXCLBBLYTSINSV-ROUUACIJSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)c(F)c1 1722403254 XKBJIOPJGABAFP-CQSZACIVSA-N 423.514 1.738 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCSCC2)CC1 1722440003 XXPHPWOPQINIPQ-UHFFFAOYSA-N 411.579 1.068 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)C(=O)NCC)CC1 1722440766 JBHPNUSNTVJQJJ-UHFFFAOYSA-N 416.570 1.704 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722482936 DUVBXIVTDLMSKM-DCAQKATOSA-N 412.244 1.252 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1722565366 ZMPQXUFDWHGQOR-HXUWFJFHSA-N 424.567 1.911 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)OC(C)(C)C)C1 1722709952 ZOEBEHYAJJVVJU-OAHLLOKOSA-N 422.530 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncnn2C(C)(C)C)C1 1722714981 QJVQBUWBCZYEFU-HUUCEWRRSA-N 414.514 1.405 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1723883035 DDULXEZOYBNVHE-KGLIPLIRSA-N 407.496 1.554 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@@]2(OCC)CCOC2)C1 1728940211 DZOYNIWWYVFADS-AZNSAFFESA-N 407.515 1.599 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740532091 CAHJAVFDNBLKPT-STQMWFEESA-N 411.478 1.867 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740620235 CKAGHUVCORSUKV-QGZVFWFLSA-N 417.535 1.717 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740622410 CPXGXBJGYKNYRK-ZDUSSCGKSA-N 406.430 1.709 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1740627593 RGTUPZZRVJAVIW-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1740699697 QAUYENTXOJJFMS-UHFFFAOYSA-N 416.489 1.450 30 10 HDEE C=CCCCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740867150 ZLLNLKLUDVTBAY-LJQANCHMSA-N 412.556 1.910 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@@H](C)C#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1741428143 CWZORUMLNKTZLJ-BGJMDTOESA-N 410.522 1.880 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCc1ccco1 1748848345 BRYRZMUQVOIIDG-UHFFFAOYSA-N 405.433 1.990 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)CCC)CC1 1749016710 LNNNGONAUXWHHL-QHCPKHFHSA-N 424.549 1.781 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1749241951 XPIDATBKXUUAGS-ROUUACIJSA-N 408.506 1.845 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1749270057 ZWRUCOQHEXYNFC-GJZGRUSLSA-N 418.947 1.565 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N(C)C)CCOCC1 1749600458 ZDDAMTJWQPUVHZ-SFHVURJKSA-N 407.559 1.922 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)C 1749733756 BLHNKXRWIXTXEI-CQSZACIVSA-N 418.585 1.263 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)C 1750792490 YVEKSPHEKLZWFS-UHFFFAOYSA-N 415.498 1.860 30 10 HDEE C[C@H](Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1751132427 GAPKNXQJZZIUQH-CRAIPNDOSA-N 416.551 1.638 30 10 HDEE CC1(C)SCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1751301120 GTOHXVHYDRREQI-GJZGRUSLSA-N 404.540 1.661 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752734479 LBVDGNMFVDWEAC-JPWUFHEYSA-N 411.466 1.869 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@H](C)CC 1760155275 UUFRPROLQLZTMR-SJORKVTESA-N 411.572 1.897 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760157644 WQJLEWFXZKQFFB-DYESRHJHSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1760170203 UBIGDAMGTXWZPN-UHFFFAOYSA-N 417.520 1.153 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1760177320 GUOAQVONIAPPMW-UHFFFAOYSA-N 400.508 1.385 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760192104 DTSXVJMAPCIVDV-APWZRJJASA-N 410.540 1.256 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCNC(=O)c1cc[nH]n1 1760246206 MKXDBJYFEOGSEK-UHFFFAOYSA-N 407.478 1.493 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccccc2)CC1 1760260581 YGONINGRNXXSBR-LJQANCHMSA-N 408.506 1.454 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC[S@](=O)CC)CC1 1760264699 WBICGSJHIXGEPI-GDLZYMKVSA-N 419.526 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NC(C)C)CC1 1760268845 YODJLPXPHYSPBH-UHFFFAOYSA-N 422.533 1.744 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1760281080 LAECWVSYULCOOG-QGZVFWFLSA-N 407.584 1.695 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(C)=O)C1 1760360654 JDRJYNHCNYMZAI-FHWLQOOXSA-N 421.542 1.700 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760373331 PBRCTCDDSINIRF-OAHLLOKOSA-N 415.885 1.874 30 10 HDEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760443602 JTPPSGIKPCXHQI-QGZVFWFLSA-N 403.458 1.914 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760525411 DZBSVRKUQYJBBR-WBVHZDCISA-N 400.552 1.906 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C(C)C)C1 1760525424 FTOIPJAWHHIJST-INIZCTEOSA-N 404.540 1.797 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1760540963 SFJVJHJNTZFLEG-GOSISDBHSA-N 405.466 1.675 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2NC(=O)CC2(C)C)C1 1760546098 IRUIBQGAYAAMIN-ZWKOTPCHSA-N 410.522 1.960 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CC(=O)NC)CC1 1760559328 MRWOZIILWOSHQL-UHFFFAOYSA-N 408.572 1.688 30 10 HDEE CCc1nnc(N(C)C2Cc3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762848284 RHBLKWZSGFEFKU-QZQOTICOSA-N 406.490 1.971 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCOC(C)(C)C 1767847106 FQNNCGAFPTUGKC-UHFFFAOYSA-N 420.539 1.617 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)C1CC1 1768985804 FNXDRZVKKYYVCX-LJQANCHMSA-N 424.505 1.870 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769591928 LUGLXTYJTOBSBW-YQQAZPJKSA-N 412.498 1.541 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1=O 1769878741 ALVZXWLWCSOPJL-WBVHZDCISA-N 411.510 1.739 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC(F)F)CC1 1772555098 FDJLYCRXUIOVOK-LJQANCHMSA-N 413.469 1.714 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1851181510 HGQPHXGHHXHIOT-UHFFFAOYSA-N 413.482 1.588 30 10 HDEE CN1CCC(C(=O)Nc2nc3c(C#N)nnn3c3cc(C(F)(F)F)cnc23)CC1 1851493331 IHSOOBULOVFBKP-UHFFFAOYSA-N 404.356 1.843 30 10 HDEE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851527924 OPZDFWGQCUTGJU-QZTJIDSGSA-N 410.430 1.974 30 10 HDEE N#CCc1ccc(C(=O)N=c2nc(N3CCN(Cc4ccccc4)CC3)[nH][nH]2)nc1 1851591511 HBUYTBUVVAWBIA-UHFFFAOYSA-N 402.462 1.262 30 10 HDEE Cc1cc(C)c2c(=NC(=O)CN3CCN(c4ccc(C#N)cc4)CC3)[nH]n(C)c2n1 1852235193 GLMGRMYCRGEWDH-UHFFFAOYSA-N 403.490 1.639 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccc4ncc(Br)n4c3)CC2)n1 1853203301 AKMGKXQHIRTZTR-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE CN1CC(=O)N(C(=O)Cc2cc3c(cc2C#N)OCO3)[C@@H](c2cccc(F)c2)C1=O 1853390450 WCJWOBYMMLQCJR-FQEVSTJZSA-N 409.373 1.537 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cnoc3C)C3(CCCCC3)C2=O)CC1=O 1854093253 JDFPNWCSNIFKAI-QGZVFWFLSA-N 414.506 1.891 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O)n1cccn1 1854202009 IASSMZLSZAVPBT-PXNSSMCTSA-N 406.490 1.261 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(C(C)(C)C)noc2C)C1=O 1854218964 KUTLTDAXLCISBQ-LSDHHAIUSA-N 402.495 1.740 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)C2CC3(C2)CC(F)(F)C3)C(=O)C12CCCC2 1854414178 NQLSVJGSDLSDIU-UHFFFAOYSA-N 415.462 1.649 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)OC1=O 1854650101 FCHQAUGDOSOCQE-INIZCTEOSA-N 409.439 1.629 30 10 HDEE N#Cc1ccc(CCC(=O)N2C[C@H](CN3CC(Cn4cncn4)C3)CCC2=O)cc1 1855001424 YLXVSZJRGMLWSR-IBGZPJMESA-N 406.490 1.480 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4c(c3)ncn4C)C(=O)C2)C1 1855005492 CSUYLRVLBFVGIW-SJLPKXTDSA-N 408.506 1.624 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)CC3CC(F)(F)C3)C2)CC1 1855857428 PAAUZGHQDLXQRP-INIZCTEOSA-N 417.460 1.886 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC(Cn4cncn4)CC3)CCC2=O)c1 1856502323 FPZOBKGQXSLJNG-LJQANCHMSA-N 406.490 1.941 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)CC[C@H]3CCCO3)C2)C1 1857464751 FVTWWEWXNDJLHY-DLBZAZTESA-N 412.490 1.741 30 10 HDEE COc1ccc(N([C@@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2C#N)cc1 1858195787 VDUCCWBMYZBYAG-MRXNPFEDSA-N 406.485 1.949 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)cc1 1867094974 JQYANRPFINOJRN-GOSISDBHSA-N 411.368 1.956 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)nnn1Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1870106942 KPQMUVNAVNAIGF-ZDUSSCGKSA-N 400.398 1.821 30 10 HDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1F 1870109085 IRWWVSGESPJMBK-CYBMUJFWSA-N 414.441 1.931 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCNC(C)=O 1870511059 LRAWPXUEKQMEOT-UHFFFAOYSA-N 404.511 1.062 30 10 HDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871544644 UVWBINLXCGBXMU-UHFFFAOYSA-N 406.469 1.918 30 10 HDEE C=CCN=c1nc(Nc2ccc3n[nH]cc3c2)[nH]c(N2CCN(C(=O)OCC)CC2)n1 1871627033 IFMNUIPRFTUFIE-UHFFFAOYSA-N 423.481 1.790 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(F)c1 1874430019 OSTAAWLEUQKWFG-UFFVCSGVSA-N 406.487 1.896 30 10 HDEE CN(C)CC#CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)CC1 1890866367 LNPZUEIZRFTGGQ-FQEVSTJZSA-N 421.538 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1993238474 CJENYGVWBUJTNB-RBSFLKMASA-N 424.498 1.328 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1996640303 ONZYTRBFJSXFLL-UHFFFAOYSA-N 404.095 1.426 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@H]2N1C(=O)OC(C)(C)C 2174780779 YBVWDYVQSIMMBH-LVQVYYBASA-N 401.529 1.726 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CC(C#N)C2)C[C@@H]1C(F)(F)F 2174787207 ROHVJVMDESZLQS-NEPJUHHUSA-N 412.434 1.322 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195307311 RTRVJYYTFATANK-CYBMUJFWSA-N 403.545 1.501 30 10 HDEE C[C@H](CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2247802681 VJEJMMYLUZGMES-QVKFZJNVSA-N 422.331 1.745 30 10 HDEE Cn1cc(C(=O)N2CC[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247816479 CVJFSPGPYBCJIK-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE Cn1nc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247919404 QUTJTVHXVCDYRV-BETUJISGSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2248403808 GQBSGMSUZIRKIM-INIZCTEOSA-N 420.315 1.488 30 10 HDEE C[C@@H](O)[C@H]1CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267351763 DLABXDCYXQYKQR-MWLCHTKSSA-N 407.750 1.845 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267376119 QZWMHVPUBSMDQE-JQWIXIFHSA-N 407.388 1.438 30 10 HDEE Cc1cc(S(=O)(=O)NS(=O)(=O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2269027007 TYIRFZCVQHPPSY-UHFFFAOYSA-N 407.344 1.126 30 10 HDEE CCc1nc(C(=O)NCC[C@@H](C)[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282030832 KZHFYCKXRWUCHP-QYOLQKOISA-N 400.375 1.892 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1NCC[C@@H]1C 2282322807 QWTAHWZKXXNFGB-WCQYABFASA-N 400.375 1.632 30 10 HDEE CCN[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282336691 AYCIBSWZNAQQJP-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC[C@@]1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCCN1 2282341559 ULERYUFNSWQNEL-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCSC[C@@H]2CCO)OC1(C)C 2282416974 DIODOWNYLPLNDG-LBPRGKRZSA-N 419.399 1.536 30 10 HDEE C[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282497596 RVPBCNNXDHMBGG-XHDPSFHLSA-N 401.721 1.952 30 10 HDEE C=C(CS(=O)(=O)N(C)CC1(S(C)(=O)=O)CCC1)B1OC(C)(C)C(C)(C)O1 2282501686 AGXACOFQWVOTTB-UHFFFAOYSA-N 407.363 1.403 30 10 HDEE CSC1CC(NS(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282507249 DTVSRSLINXTMGM-UHFFFAOYSA-N 401.363 1.200 30 10 HDEE COC[C@@]1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCNC1 2282614084 OZERICSVRPJMPP-QGZVFWFLSA-N 400.737 1.809 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@H]3[C@@H](O)CO)c2Cl)OC1(C)C 2282655430 PIWHVYDBHKQYCJ-RYUDHWBXSA-N 401.721 1.659 30 10 HDEE COC(CN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)OC 2282842365 XGGRIJHLJGCHSD-UHFFFAOYSA-N 405.347 1.595 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H]2[C@@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282842962 GBLBIAZRMJAYIF-ZWNOBZJWSA-N 401.359 1.808 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CCS[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870589 VADDEOCUOYGRQV-ZYHUDNBSSA-N 401.363 1.200 30 10 HDEE CON([C@H]1CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876516 DXWCJOLSLZZASU-ZDUSSCGKSA-N 403.331 1.529 30 10 HDEE CC1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)(C(=O)O)C1 2284393729 OXIIEHPXOOKNBD-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H]2CC(=O)O)OC1(C)C 2284394325 XACVNJZJGFDJQG-LLVKDONJSA-N 401.315 1.675 30 10 HDEE C[C@@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284397517 MRIQYLFGMFENBQ-PSASIEDQSA-N 421.733 1.937 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)C[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284427453 AWPIMLPLXPRNOH-PSASIEDQSA-N 401.677 1.361 30 10 HDEE O=C(O)[C@H](CS)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2301112994 IRDKSMUBYUCLHB-AWEZNQCLSA-N 414.505 1.145 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN(Cc2ccccc2)C1 2315601771 INOQBKXOZPDNNT-SFHVURJKSA-N 424.354 1.971 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccc1O 2329035266 XGQMVTMLOGGSGA-AWEZNQCLSA-N 417.491 1.855 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336248098 KLWJZQRQHPTROQ-KBXCAEBGSA-N 402.582 1.946 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CSCCN1C(=O)OC(C)(C)C 2342051051 JNULBSSCNZXXAB-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CCO[C@@H]1CN(S(=O)(=O)CC2(C#N)CCC2)C[C@H]1CNC(=O)OC(C)(C)C 2355478542 IJXPNLKGAWDDNW-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCCNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2362289116 ADVHVIGRNRXUNH-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2365202429 NYGMQSWGMNOALN-HUUCEWRRSA-N 402.557 1.816 30 10 HDEE N[C@H](C#Cc1cnn(C2CC2)c1)[C@H](O)c1ncc(I)s1 2366131019 OEUSRVRKILNUSD-PWSUYJOCSA-N 400.245 1.692 30 10 HDEE CCCN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2367292000 WIYCDDOWXNECKJ-KSWRQPAISA-N 400.541 1.188 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367792565 PQXKNZUANXECSU-CHWSQXEVSA-N 414.553 1.272 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367804091 PPYYADFIVIOFMF-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375782752 WABCKIYYTVSSNE-RDTXWAMCSA-N 404.529 1.666 30 10 HDEE CCn1c(C)cc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2C#N)c1C 5366337 BZIXVSXQBMVGSM-UHFFFAOYSA-N 403.460 1.701 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 6466668 OFXKQKVFUBLFEQ-NVXWUHKLSA-N 422.503 1.540 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(Br)cc2)CC1 45606646 OOWXMOXAHKQWIT-CQSZACIVSA-N 409.328 1.696 30 10 HDEE COc1cccc([C@@H]2c3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)c1O 72445065 JIWGUGUSLJRLLC-KYOSRNDESA-N 409.446 1.944 30 10 HDEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2cccnc2)cc1 103128690 YMNWTBBVVPZAPX-HQMFNGAOSA-N 412.442 1.911 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(C2CCCCC2)C3=O)CC1 169820016 HNKOCVFQRSIIRQ-UHFFFAOYSA-N 408.458 1.813 30 10 HDEE N#C[C@H]1CNCCN1C(=O)c1cc(I)ccc1Br 232463150 ZXLOQZJVSDIHHT-VIFPVBQESA-N 420.048 1.991 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404811823 HRHRKMGBYQNIPY-LLVKDONJSA-N 403.331 1.370 30 10 HDEE COC[C@@](C)(CCO)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 438508349 XRMJRXYAKPEUJR-OPAMFIHVSA-N 418.538 1.733 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2occc2C)c1=O 440377333 ICDPVYFOTXLANR-UHFFFAOYSA-N 405.479 1.891 30 10 HDEE CN(C[C@@H](O)CN1CCOCC1)c1c(C#N)cnc2c(Br)cccc12 440655137 VJSQNLUCQIOSTM-CQSZACIVSA-N 405.296 1.998 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(CCO)Cc1cc(OC)ccc1OC 460386753 NFZWGBROUOXNOF-LJQANCHMSA-N 418.494 1.958 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CCSC 460556205 RYDJDDBSSMWMEK-HUUCEWRRSA-N 417.601 1.765 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncccc1F 469522940 ANWBAFMMCLQUNF-CQSZACIVSA-N 402.451 1.729 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2nccc(C#N)c2[N+](=O)[O-])CC1 471047265 LMBWWXNWQIVUEO-UHFFFAOYSA-N 402.436 1.096 30 10 HDEE CCn1nccc1CN(CCO)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 474659498 KGKFKSUAIIBXME-LJQANCHMSA-N 410.478 1.474 30 10 HDEE COC(=O)[C@H]1CS(=O)(=O)CCN1Cc1cccc(OCc2cccc(C#N)c2)c1 483343294 YTELAKVSHJLFQM-HXUWFJFHSA-N 414.483 1.909 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCCc3nnc4ccccn34)C2=O)cc1 487441851 RMZFZPMOJBFNRC-GOSISDBHSA-N 417.473 1.634 30 10 HDEE CC1(C)C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C(C)(C)O1 487993672 NSZZKKCYGIMERH-KRWDZBQOSA-N 420.535 1.920 30 10 HDEE Cc1ccc([C@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)cc1 489128901 YFFJLQDKVCOXLT-FQEVSTJZSA-N 400.504 1.922 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)cn1C 497358126 MQJBGXYBCUIDKX-QGZVFWFLSA-N 419.482 1.649 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 507472324 ZMSAKBZKBBJNRP-XLIONFOSSA-N 400.523 1.363 30 10 HDEE COc1ccc(OCc2nnc(N3CCN(c4ncccc4C#N)CC3)n2C)cc1 508091964 CBGWAORZZLZBFU-UHFFFAOYSA-N 405.462 1.996 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 509001388 WCMJBZKOCAYTNL-LJQANCHMSA-N 422.489 1.996 30 10 HDEE CCN(C(=O)[C@H](C)N1CCC(Oc2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 509065606 FOEQWJKWCSGZCK-WMZOPIPTSA-N 419.547 1.826 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 518845235 ITYGAISSBLZBTC-UHFFFAOYSA-N 424.482 1.778 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)o1 530540165 JQCRMMPIAMLOPQ-KRWDZBQOSA-N 415.494 1.169 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(N2CCOCC2)c1 532265566 IPIUZMPBQZJPJD-OAHLLOKOSA-N 414.487 1.700 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)CC1 534805633 BZIJJTKOFXYKEH-MRXNPFEDSA-N 412.494 1.470 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 542120415 SUBRCHBPVNKJHH-HNNXBMFYSA-N 407.883 1.415 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)CC2)n1 546926476 OQASSQKVIFXFGA-OAQYLSRUSA-N 420.517 1.858 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 549278060 QBDREJZJKAFQEB-STQMWFEESA-N 412.541 1.499 30 10 HDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 552748815 JNKJFTYYUBDHDZ-CBNMVNINSA-N 411.550 1.460 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 557747989 GDUNHOFXWRGUKT-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 564687134 NGBBADPCSCSOJM-LJQANCHMSA-N 424.505 1.426 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 579423911 MNFIWRIPSWNCFU-CYBMUJFWSA-N 401.444 1.579 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC(C)(C)c2ccc3c(c2)OCO3)CC1 604186088 ITHGNXVSLYPJAT-UHFFFAOYSA-N 402.495 1.322 30 10 HDEE N#Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cn1 609660305 YSXUZNLBLZAHPF-KRWDZBQOSA-N 400.460 1.341 30 10 HDEE CCOC[C@@H](C(=O)OC)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 611430905 FSJADOKFMNKGOU-OALUTQOASA-N 420.485 1.044 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(C#N)c(Cl)c1 619826545 BCIAALYJMBVJEA-KLHDSHLOSA-N 405.838 1.846 30 10 HDEE Cc1ccc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1C#CCN 703979220 YXWBVOVCGXULBC-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE C#CC[C@H](O)CNS(=O)(=O)c1cc(Br)sc1Br 717870415 YPHYPYUSDNHVBE-LURJTMIESA-N 403.117 1.936 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC)c2)c1=O 732561340 MPFXFOPOGUCOGU-UHFFFAOYSA-N 414.531 1.425 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC 732650972 OMFDHCUZUHQLCL-QGZVFWFLSA-N 420.535 1.538 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 733150613 QBLKCPVPLBHWCV-UHFFFAOYSA-N 417.307 1.828 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 741448688 CYBNRAROIVDKME-SFHVURJKSA-N 411.531 1.971 30 10 HDEE COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1N1CCOC1=O 743905565 VAGIKRGSWRJGOK-UHFFFAOYSA-N 412.377 1.917 30 10 HDEE COC(=O)[C@@H](OC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O)c1cccc(C#N)c1 751622752 NMRQCNAKVIPEGV-IBBFCSCYSA-N 413.430 1.816 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](O)c1cc2ccccc2s1 757684961 IDYSBNBQTQYVLQ-YWMAMYRUSA-N 400.460 1.760 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)N2CCc3cc(Br)cc(F)c32)CCN1C1CC1 764261566 QXSFMSDNPXCLBV-CQSZACIVSA-N 421.270 1.676 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O 769722140 QVSZAYLKIWVGDZ-KRWDZBQOSA-N 422.235 1.955 30 10 HDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)s1 772788063 OHFBHDITPHFOTI-UHFFFAOYSA-N 422.532 1.782 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCNS(=O)(=O)Cc1ccccc1 779837617 OVKNNYKLMCYPHS-LJQANCHMSA-N 409.508 1.484 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)C3CCN(C(=O)c4ccccc4)CC3)nc12 783867033 YTMNJPJZYQMSJL-UHFFFAOYSA-N 405.414 1.902 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(Br)cn2)n1 789323530 LLFLCNNGPQXBOC-UHFFFAOYSA-N 406.284 1.761 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 807270732 XKSIMGBGDCJXKR-GOEBONIOSA-N 412.533 1.373 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(OC(C)C)cc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 807591644 HKTINGHQUCTVGQ-UYAOXDASSA-N 421.563 1.908 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ncc(Br)cn2)n1 814441554 JZNPSBWJRLVELP-ZDUSSCGKSA-N 421.299 1.988 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CCNC(=O)CC1 815423612 JUGKTHLFYNYWCS-HNNXBMFYSA-N 404.467 1.411 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N3CCO[C@](C)(C#N)C3)CC2=O)cc1OC 1134268201 ZQUKZNKKOMDHOJ-IIBYNOLFSA-N 401.463 1.236 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](N2CCC2)[C@H](F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1139854584 ATSOIRDFUWOEBU-BMFZPTHFSA-N 408.499 1.148 30 10 HDEE N#CCNC(=O)CNC(=O)[C@H](NCC(F)(F)F)c1cc(Br)cs1 1140177893 UCORRLBCLHRDCV-SNVBAGLBSA-N 413.219 1.460 30 10 HDEE N#Cc1cnc(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)c(Cl)c1 1151396332 KSCDLQQBUBMBIR-ZDUSSCGKSA-N 410.817 1.744 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H]2CC[C@H]1c1cnc(CC)nc1C2)c1cc[nH]n1 1152710235 KHNLRMRPCHGCOM-LRDDRELGSA-N 412.450 1.334 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccncc1 1162044149 AEVNUWVCUARWDG-SFHVURJKSA-N 415.471 1.679 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@@H](N4CCOCC4)C3(C)C)CC2)o1 1164314725 XKZWWLBTLHKUDW-QZTJIDSGSA-N 401.511 1.687 30 10 HDEE C=CC1(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CN(C(=O)OC(C)(C)C)C1 1170976710 WTXRYRMFQWQZLT-UHFFFAOYSA-N 416.482 1.870 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cn(C)nc1Br 1176716041 BXBIWYMGMYGBRY-VIFPVBQESA-N 412.269 1.360 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OC)cc1 1211781306 NIHWXLRNEVKCKW-KRWDZBQOSA-N 422.503 1.841 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286299077 ATAOGGISDNZECT-RDJZCZTQSA-N 422.455 1.985 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1286348931 BKRLTKNLDZLUKA-GJZGRUSLSA-N 403.512 1.064 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CCOC)C(=O)C1 1286356364 GZOLVTDADOOLTE-UHFFFAOYSA-N 422.489 1.437 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)C1CCC1 1286432537 NWGYELZAEFXCNF-UHFFFAOYSA-N 421.549 1.909 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1286552943 BPGVELJLJYPWDX-LMMKCTJWSA-N 419.526 1.058 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286702717 RQGNWAPYFYLVGY-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1286711665 QQPKGQDGIVUBBH-INIZCTEOSA-N 407.540 1.890 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1286715191 WLHSRUOKMPTBNM-HNNXBMFYSA-N 406.556 1.620 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2ccccc2)C1 1286768956 IQOPWHABYBBFQL-DOTOQJQBSA-N 405.524 1.870 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286793811 MMKWBFVLCYCRHQ-DNVCBOLYSA-N 409.556 1.563 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286819393 JFEPTJLOOWLLSG-OAHLLOKOSA-N 422.511 1.416 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)COc1cccc(Br)c1C#N 1289614594 SOZJYUKXPWSZBL-KRWDZBQOSA-N 421.251 1.644 30 10 HDEE C=CC1(CC(=O)NCCCN(CC)S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1291861577 GKVNFTFEPXHVSL-UHFFFAOYSA-N 403.545 1.587 30 10 HDEE Cn1c(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nnc1-c1ccccc1 1296165723 BTHPLMGISKQQTL-JKSUJKDBSA-N 410.478 1.900 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(O)(C(F)F)CC3)C2=O)cc1 1296805004 LIJXRQKGKBHBDP-CQSZACIVSA-N 406.389 1.382 30 10 HDEE Cn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1298870044 XKJBYOQANBLQEM-LBPRGKRZSA-N 400.393 1.053 30 10 HDEE COCCN(CC#N)C(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1298927249 AVFRKPWEUDOMSR-CYBMUJFWSA-N 424.295 1.915 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCS(=O)(=O)CC2CC2)c1 1300331603 MYUUEDFCLRABLP-UHFFFAOYSA-N 415.519 1.468 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1300425754 WXGQNKVWTTYVKT-DYESRHJHSA-N 416.526 1.288 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1300482670 GWSVVSKVBKCTAR-NNFUDEMPSA-N 408.524 1.138 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccccc1 1300512923 NUNRESMEEXYLOL-PKTZIBPZSA-N 408.502 1.911 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)c(O)c1 1300528414 WEDBMEWHNXBIGQ-UHFFFAOYSA-N 419.441 1.841 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2COCCO2)CC1 1300701456 VAAWGDSVAFRNCB-MRXNPFEDSA-N 417.460 1.318 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCOC(C)C)CC1 1300727051 VDEJBXIDFBBJNW-UHFFFAOYSA-N 410.522 1.655 30 10 HDEE C#CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1300778280 QXSVKFLOSFQMAZ-QMTMVMCOSA-N 422.507 1.411 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1301222707 DKCPQGLHKHAIEX-RDTXWAMCSA-N 409.512 1.177 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC)c1)C(=O)OCC 1302419909 PEZLVXZZFBEVPH-GFCCVEGCSA-N 404.872 1.407 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1Cl 1305590116 OGKVOEYIAWZNCO-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE C[C@H]1Cc2ccccc2N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1307378587 JXOXFLKWUJLBBG-AWEZNQCLSA-N 424.457 1.201 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(c3ncccn3)CCC2)CC1 1308034254 UOXUQVDCNBNEDM-LJQANCHMSA-N 408.481 1.994 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC)c(Cl)c2)CC1 1310143710 CDXCPVCQMUMYCX-UHFFFAOYSA-N 400.888 1.356 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1314105724 FKBCQKPGRDPYOR-UWJYYQICSA-N 419.526 1.866 30 10 HDEE Cc1cc(C(=O)NC2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)no1 1319470616 VQLALJLUKMZIKI-UHFFFAOYSA-N 402.476 1.523 30 10 HDEE CC(C)(C)C#CC(=O)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1346632005 ZWYAOWTVVCJPQC-IYWGDAJJSA-N 400.519 1.678 30 10 HDEE C#CCO[C@H](C)C(=O)N1CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc21 1350371866 OLULTUOQQPFEQL-CQSZACIVSA-N 405.476 1.185 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1352384526 LGRNFVIOZMYGLH-HNNXBMFYSA-N 411.462 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C/c2ccc(S(C)(=O)=O)o2)[C@@H](C#N)C1 1355540910 TWNYDTLZHHYPFA-IYNGYCSASA-N 409.464 1.668 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1356078151 ODQDTDDVVCQOHK-MSOLQXFVSA-N 415.515 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1358872165 POUBYHUMBJMAST-LSDHHAIUSA-N 405.524 1.598 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1358893226 QHERHKCHQJQYGK-MSVBSMQLSA-N 422.464 1.992 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358961238 UYEGYIDLQRBIFP-JXFKEZNVSA-N 419.551 1.461 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCO[C@@H]1CCCC[C@H]1C 1358978144 DXWLUGUAPVEZIY-GUDVDZBRSA-N 418.563 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1359018683 YVXPQIFXUMJOLT-MSOLQXFVSA-N 423.583 1.692 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCSC2)CC1 1359029682 DYAAUUJFNZVYIE-NQIIRXRSSA-N 419.595 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1359040542 ZMPWTFFHJCLNBH-OZIGNCPNSA-N 417.554 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCSCC#C)CC1 1359043835 KVIKZPZXSHOSJW-UHFFFAOYSA-N 409.519 1.067 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(OC)C2CC2)CC1 1359044322 CAXTVZGRUXESLU-HTAPYJJXSA-N 415.538 1.563 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)N(C)C)CC1 1359162218 JEKFQSDXOXEPHD-UHFFFAOYSA-N 407.482 1.556 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359286745 PFNMARKTPKKWJV-ZIAGYGMSSA-N 406.487 1.145 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1359303688 XHLBBJZZTNNALT-ROUUACIJSA-N 402.543 1.080 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC(=O)N3CCOCC3)C2)C1 1440327181 HMJPYDACTRMKDT-TZQQIIETSA-N 420.510 1.138 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCCNc2ncccc2C#N)C1=O 1442335923 LDASAFMLTAHTLG-OAHLLOKOSA-N 401.467 1.062 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1442918513 HUWKGDNNHVBLHW-UHFFFAOYSA-N 402.382 1.337 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)CC1 1443523336 YDUMNKNGORGUDP-UHFFFAOYSA-N 400.479 1.721 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1451224322 ADYFEVZKOOGWSO-KSSFIOAISA-N 408.524 1.397 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc2cc(S(N)(=O)=O)ccc2n1C 1458808987 HSDNKINNHFWJAO-GTNSWQLSSA-N 409.537 1.756 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)NCc2cccs2)c1 1465031106 QVFDMTQUFHEHTL-UHFFFAOYSA-N 404.513 1.934 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1467824456 ZBVWHRQFOBGONT-UONOGXRCSA-N 407.433 1.672 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1470958771 GFTSDXPBRWZVGO-AQZMIJIOSA-N 408.495 1.577 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O 1471252149 MEUCIAZZPTTZSB-GFCCVEGCSA-N 408.252 1.717 30 10 HDEE CCO[C@@H]1CN(C(=O)NCC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C 1471573268 UUOAKXIVMPKUSW-HZPDHXFCSA-N 410.515 1.878 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 1471832288 BXIPKPZQIQECNI-JLTOFOAXSA-N 420.872 1.460 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2c(F)cc(F)cc2Br)c(=O)nc1O 1476425019 FXCRXCXKDQKLMK-UHFFFAOYSA-N 414.166 1.683 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cnc(C(F)(F)F)c(C)c2)CC1 1476866712 GCGPUIKVDGCTMP-UHFFFAOYSA-N 405.402 1.026 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1 1478735013 FPFJNTIZQYSONY-UHFFFAOYSA-N 404.462 1.734 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCCC2)n1 1492753648 DRVBAIIBPOALGT-IBGZPJMESA-N 412.542 1.745 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)o1 1498283108 BYQPPXBDGUDEQJ-GXTWGEPZSA-N 406.512 1.826 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1)[C@@H]1CCOC1 1503417013 ZFPDEUCIOHNNNR-QGZVFWFLSA-N 403.446 1.584 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)C1CCC1 1503431308 DFJVUXLOFINBNR-UHFFFAOYSA-N 420.477 1.871 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCN(C)C1 1504963575 YCHOGMPBEQZABK-OXJNMPFZSA-N 406.531 1.199 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507596758 PDBQWWRKJRKFCK-FQEVSTJZSA-N 422.533 1.198 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1507621445 ANFYZMKNMPATDJ-JSGCOSHPSA-N 408.553 1.627 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1507634973 OVNNDWIDWRYTCR-MSOLQXFVSA-N 417.535 1.316 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(CS(C)(=O)=O)CC1 1507763415 BZAOKRLXTACADI-VQIMIIECSA-N 424.567 1.819 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(=O)NC)C1 1507847366 KADIHPFIVMQIQX-GOSISDBHSA-N 415.542 1.695 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(N(C)C(C)=O)CC1 1508090532 OJUZQOCCYCURCU-KRWDZBQOSA-N 404.515 1.269 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCCO1 1508090890 KKUOOKYQOGPYJL-QAPCUYQASA-N 413.478 1.708 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1509637523 GTIDYSLHORNJGR-IQGAEYHTSA-N 404.490 1.799 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1515769799 ALZAZEJHBDMHQZ-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE CN(C)[C@@H]1CCc2ccccc2N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1532153809 ZPSAHXARWMCHJC-MRXNPFEDSA-N 412.515 1.635 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C#N)cc2)c1 1534487946 MHOUKBJBDNCHNZ-AWEZNQCLSA-N 403.460 1.889 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539133922 MGFVEAAXLZZPOF-UHFFFAOYSA-N 412.519 1.864 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H]1COCCO1 1539154294 OCEDTELIZYJNMK-HNNXBMFYSA-N 418.523 1.031 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1539223949 AGSCWTHHTNQUTR-KRWDZBQOSA-N 422.576 1.984 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539226469 YUUWIPOAHYOBCJ-KRWDZBQOSA-N 417.535 1.316 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCN(C)C1 1539340248 JNXPCVMDYJXLFI-QFIPXVFZSA-N 410.522 1.673 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CCO[C@H]1C1CC1 1539392437 RNCQJZOSALPCGO-UWJYYQICSA-N 403.527 1.708 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn(C)c1C 1539400994 OXCCSLIEZWTCQI-FQEVSTJZSA-N 402.499 1.106 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@H]2OC)CC1 1539476877 GXEJMOXGNWGWCG-IEBWSBKVSA-N 423.521 1.516 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 1539566976 RQADVACKQPMUQS-UHFFFAOYSA-N 409.504 1.763 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1)C1CC1 1540109494 QTGRQOURGFFFKP-OAHLLOKOSA-N 421.567 1.784 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCn2ccnc2C)C1 1540895042 KGYMTEREPVBUIA-GOSISDBHSA-N 413.526 1.777 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N(C)C)CCC1 1555742009 GRDWERZNAMHLSR-TXPKVOOTSA-N 406.506 1.928 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(C4CCC4)CC3)n2CCOCCCO)cc1 1555988952 UTUWQFXLUXRSJN-UHFFFAOYSA-N 410.522 1.890 30 10 HDEE C=CCn1cc(CNC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)nn1 1557105808 WWBFNYBKEUAFMY-ZDUSSCGKSA-N 401.471 1.842 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)C1 1557917777 PZDCARZVPCUMOI-QFIPXVFZSA-N 419.416 1.966 30 10 HDEE CCS(=O)(=O)NCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633527 COPNOPZAHVQQQL-BQBZGAKWSA-N 418.306 1.555 30 10 HDEE Cn1c(=O)n(C)c2nc(NC(=O)CCC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)ccc21 1559026691 UKAZNGRNNZCIBW-MRXNPFEDSA-N 418.457 1.146 30 10 HDEE Cn1c(NCC[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(C#N)c(=O)n(C)c1=O 1559302562 NARUPWRXUKYKFX-CQSZACIVSA-N 405.499 1.795 30 10 HDEE Cn1c(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc2ccc(Br)cc21 1560193867 MTUAURLYFXRTSP-MEDUHNTESA-N 409.309 1.706 30 10 HDEE CCCOCc1ccccc1CNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1560194783 ZJLHLYDYKWLZLE-AZUAARDMSA-N 405.520 1.100 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1561641336 KFDVTEWMHGFMFI-SNVBAGLBSA-N 420.256 1.788 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1561798545 MJGGIKQGOXAORP-VIFPVBQESA-N 402.270 1.738 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1565244851 BLGQPXSUNUXFGH-KZNAEPCWSA-N 404.488 1.340 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCSC[C@@H]1CO 1566498946 HAUIJTRPMWNDMF-AWEZNQCLSA-N 411.549 1.222 30 10 HDEE CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585211087 HLBCYMRPZNFRQD-DOTOQJQBSA-N 417.941 1.707 30 10 HDEE N#Cc1ccc(N(Cc2ccccc2)C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)nc1 1585320808 ZMTGXHHMJKUBKD-UHFFFAOYSA-N 419.466 1.984 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)nn1 1585550360 AQQIDPCGXDJJLO-UHFFFAOYSA-N 409.899 1.832 30 10 HDEE COc1cc(CNC(=O)[C@H]2CN(C)C(=O)CN2C(=O)OC(C)(C)C)ccc1C#N 1586857955 GPSBRQDPGHZTKF-OAHLLOKOSA-N 402.451 1.261 30 10 HDEE COC[C@]1(C)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1587446018 JKOZTYJRFOOTPP-UZLBHIALSA-N 400.435 1.027 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3ncccc3C#N)CC2)COC1 1587691429 VTKTYWHTTPQYHY-UHFFFAOYSA-N 401.467 1.286 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(N(C)C)CCSC1 1588012086 VHAOXISIXXWHCY-IBGZPJMESA-N 418.592 1.776 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(N(C)C)c1 1588083842 KUGUITROWCLJBS-INIZCTEOSA-N 414.535 1.075 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cccc(OC)c1 1588140045 SNFNAKPGYKAUII-SFHVURJKSA-N 407.474 1.293 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1594709071 HTOFUZTZCDRYAU-HNNXBMFYSA-N 409.498 1.782 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(CS(C)(=O)=O)c1 1594993150 ZYSVHKAIKCKTTJ-UHFFFAOYSA-N 417.535 1.616 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1)C1CC1 1595054095 AKMYQHPJGIHRSL-TZMCWYRMSA-N 402.467 1.759 30 10 HDEE CC1CCN([C@H](C)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CC1 1612822216 DWCQDDMLZUSPLQ-QGZVFWFLSA-N 407.522 1.873 30 10 HDEE CCc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1614050629 MAHHCJFQHXNPID-JVMRMLDLSA-N 414.510 1.620 30 10 HDEE COC(=O)[C@H]1CN[C@H]2CC[C@@H](C2)N1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1614685340 MNXJBXCYHHYPDF-GBESFXJTSA-N 400.328 1.854 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)S(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1 1622125342 QPMWYTOBKQSBSL-MRXNPFEDSA-N 418.585 1.453 30 10 HDEE CN1C(=O)CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1=O 1627041066 IOLHRYSZTIPEQH-BLLDWGMFSA-N 404.467 1.037 30 10 HDEE N#C[C@]12CN(C(=O)c3ccnc(-c4ccccc4)c3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1627137328 VFOAMZXIUUKUSU-IFXJQAMLSA-N 412.427 1.667 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1628370316 OKUDENYXBDHWPN-INIZCTEOSA-N 424.482 1.648 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(CCN(C)C)Cc1ccsc1 1629581484 DLTRUVKZFYYLGV-OAHLLOKOSA-N 420.560 1.877 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C)C1CCOCC1 1629888880 FOHYMNNZOPDVTB-RSJGLCBASA-N 420.506 1.718 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC1(c2ccc(C#N)cc2)CCC1 1631228383 UTXGBHAWFWLLCX-CQSZACIVSA-N 415.519 1.771 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1632078993 UVIISTMKKZNFLB-HUUCEWRRSA-N 414.911 1.301 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cs1 1632094915 DFTDHUMJQSROBX-HNNXBMFYSA-N 405.524 1.909 30 10 HDEE COC(=O)C[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOC1 1632507373 ZFLAQOIKTWCHKR-HCWAXHENSA-N 421.494 1.612 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 1632880601 UZKFZQZUMYHANY-OHTQGHCMSA-N 406.801 1.615 30 10 HDEE C=CCN(CCOC)C(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1635612075 LNRCRRRMRCVHBH-IEBWSBKVSA-N 410.536 1.595 30 10 HDEE CN(CC(C)(C)C#N)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1636335480 RXOGSWFRJRKRFO-ILXRZTDVSA-N 413.540 1.665 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1636451217 PLHJBOMHQCBXKL-UHFFFAOYSA-N 421.505 1.411 30 10 HDEE C#Cc1cccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1 1638020320 LLUMXCYUDORGJY-UHFFFAOYSA-N 414.483 1.814 30 10 HDEE Cc1ccc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)cc1S(=O)(=O)NCC#N 1640824062 XVEGVTAGCAUCJY-UHFFFAOYSA-N 421.519 1.991 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](CC(F)(F)F)C1 1642024236 VKGRLXZKVRVCPJ-YPMHNXCESA-N 405.398 1.405 30 10 HDEE COCCN(CC#N)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1642107716 WDQRXAVKBHLZTK-NRFANRHFSA-N 420.469 1.498 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(OCc4cscn4)c3)C2)c(=O)nc1O 1648028988 UTWGHJJNHUBVQF-UHFFFAOYSA-N 409.427 1.553 30 10 HDEE CC(C)(C)c1cc2n(n1)CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C2 1648197164 KXQINYIAWMEOFT-UHFFFAOYSA-N 401.492 1.373 30 10 HDEE CCC[C@](C)(O)Cn1c(COCC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1649626220 MLCXKKCANRQZAG-FQEVSTJZSA-N 400.483 1.901 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653199805 JCJAQWYZPZNBSS-WGXSUGOASA-N 404.488 1.061 30 10 HDEE C=CCC[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OCC 1654577764 OTUGGIYLDVULPG-CYBMUJFWSA-N 417.466 1.005 30 10 HDEE COc1ccc([C@H]2CCCN2CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)nc1 1656460770 HVXDYRKCRNPPOI-LJQANCHMSA-N 410.478 1.744 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 1671566420 GDLCCNUXLCDNJK-VXKWHMMOSA-N 408.502 2.000 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1 1672352205 FABWQDNMKVFPPR-IBGZPJMESA-N 422.464 1.725 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1683758609 OGNRDPFFHAZGFR-OAQYLSRUSA-N 414.462 1.228 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1689907601 DTHPKVGJTJUJNL-OALUTQOASA-N 414.554 1.475 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCN(C)C1 1689952509 IIRSWCGMKGLSBB-INIZCTEOSA-N 410.341 1.905 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1689988318 MROWHNWIGZHGKY-CQSZACIVSA-N 406.537 1.381 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCSCCCO)CC1 1690117464 IQWRNPPJMXNRFE-UHFFFAOYSA-N 415.563 1.825 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCOCCN(C)C)CC1 1690140436 YTCYKKGHVLWWOP-UHFFFAOYSA-N 424.549 1.489 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1690245240 GBMKDDYNXHPRPI-QRVBRYPASA-N 403.527 1.868 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1690315547 DZSSFMXRFNINQL-HXUWFJFHSA-N 423.521 1.959 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C)C1 1690669840 QDWMGDAIPICKSL-GFCCVEGCSA-N 404.496 1.250 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1696437973 YWULALQBMWQNMG-IBGZPJMESA-N 421.505 1.942 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1705569332 BZCFOZCDTBTCER-QGZVFWFLSA-N 408.568 1.920 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705636273 DLNKHVQDHKZEQW-JTSKRJEESA-N 411.506 1.249 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705729256 QLHIZQRZXXMXEP-XGHQBKJUSA-N 421.542 1.782 30 10 HDEE C=C(C)COCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1705740377 JJONMUVFXIJMFX-NHCUHLMSSA-N 419.526 1.382 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCS(=O)(=O)CC2CC2)CC1 1705762450 ZGOINKLSOUQVHI-UHFFFAOYSA-N 407.540 1.495 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOCC2(C)C)CC1 1705784260 NOOCUCOROONIQR-UHFFFAOYSA-N 416.570 1.914 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)COC(=O)N2 1705819531 NWPIATLAIMRKNA-CQSZACIVSA-N 409.512 1.225 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCOC2)C1 1705825353 RGZKAZSNKQXWDP-CRAIPNDOSA-N 413.544 1.098 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(O)CCOCC1 1705881723 YWXFSDJJENPUIG-UHFFFAOYSA-N 416.482 1.106 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1705898357 JEGAUWKVLSCZPT-IPMKNSEASA-N 411.506 1.975 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCSC2(CCOCC2)C1 1705900365 ACWRXLKTCDLXCF-UHFFFAOYSA-N 417.539 1.083 30 10 HDEE CC(=O)Nc1ccc(CCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1 1706005462 DSOIDWJVTBAIJS-LJQANCHMSA-N 420.477 1.608 30 10 HDEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1707697065 PKSMHUHTHWOGEL-KRWDZBQOSA-N 405.462 1.961 30 10 HDEE C[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1708081680 FOYBHVBZHYOKMO-KOFUXLBCSA-N 400.483 1.892 30 10 HDEE CC[S@@](=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1710916003 ODLXEYRWBMDOJS-DBDZUICISA-N 409.462 1.644 30 10 HDEE CCSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1710958255 YUGOKNWVYBAHTL-CQSZACIVSA-N 401.496 1.797 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722339511 WHZTWZVJHZCBQY-UHFFFAOYSA-N 408.550 1.687 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCc1cn[nH]c1 1722345406 YIPSCLJIROQNDE-UHFFFAOYSA-N 412.523 1.582 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1722352768 KUOHWTKCJMWBPH-LJQANCHMSA-N 408.506 1.179 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CCOCC2)CC1 1722436512 AKIDDNKLZRNIMA-QGZVFWFLSA-N 405.568 1.449 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2nccs2)CC1 1722448049 QPQQHIPCUFMDEC-MRXNPFEDSA-N 414.535 1.643 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722461865 IFNBDJDSTUXSHG-QZTJIDSGSA-N 418.567 1.746 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@](=O)C(C)(C)C)CC1 1722560119 PVAPUUXXETYUQJ-RXBISOJRSA-N 417.601 1.592 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 1722618631 TYUUYLPJNHVNGI-CABCVRRESA-N 415.585 1.519 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1722652455 GMMFTJVHYWYLCE-RYRKJORJSA-N 424.567 1.982 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](COC)C1 1722696160 CXJGXRZNVRLYNJ-HNNXBMFYSA-N 401.467 1.108 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)C1 1722708986 HLPREYNBWVCSCW-MRXNPFEDSA-N 418.542 1.600 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1722712356 QPWPHRRYPHIRPB-SJORKVTESA-N 414.510 1.549 30 10 HDEE Cc1c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cnn1CC(C)C 1724137256 VIDURFHFMHQPBZ-IAGOWNOFSA-N 412.498 1.167 30 10 HDEE Cc1cccnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1724817170 FGEQJYRRFSQJFR-UHFFFAOYSA-N 417.473 1.807 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(CCOC)CC2)CCO1 1729680042 BXOKPCJXSWJODW-SFHVURJKSA-N 424.505 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1740553196 ZRGRPCNUILWJMA-JSGCOSHPSA-N 420.315 1.736 30 10 HDEE C#CCCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1740565706 FHNWIROQBPOQNM-UHFFFAOYSA-N 413.478 1.711 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1740610082 RRUAQBFSOPGDAW-IFXJQAMLSA-N 406.483 1.296 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnn(C)c1C 1740686335 QSMNGZMNLUKLHQ-FQEVSTJZSA-N 422.489 1.967 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1c(CC)nn(C)c1OC 1740687444 DVBZECWQNSYBFR-QGZVFWFLSA-N 402.499 1.568 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)CC1 1740689198 RCDGOSWETHFTCT-UHFFFAOYSA-N 422.537 1.167 30 10 HDEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740847584 MTPCVCNUENNATJ-UHFFFAOYSA-N 416.570 1.739 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1OCC[C@H]1C 1741931651 RGKOIRZUSQMRNV-ATNYBXOESA-N 410.544 1.443 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C 1743254569 LMGMEQFQUMWWDM-VBQJREDUSA-N 407.478 1.897 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1747534608 FCBWPUVOMURKIJ-MSOLQXFVSA-N 421.505 1.542 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1748755217 GPBRGUHCDQEOKM-UHFFFAOYSA-N 424.534 1.634 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1748771682 MWUQAQGQZYXFHN-IBGZPJMESA-N 412.556 1.601 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1748817932 SVTOYQNVWHDCDS-DLBZAZTESA-N 410.540 1.053 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1748929145 DTKTTZZZYNPILB-KRWDZBQOSA-N 404.540 1.543 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1749022605 LBCUIUSWBJTLOD-KBPBESRZSA-N 415.585 1.258 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1749309770 MFLLWSLQMJYKCK-LJQANCHMSA-N 416.570 1.914 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(N(C)C)CCOCC2)CC1 1749348597 SKCVLLUAAOMXAQ-UHFFFAOYSA-N 416.570 1.914 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1749489269 SUAYNHDSKQUXFW-CABCVRRESA-N 415.585 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@](C)(CC)C1 1749721308 GKTLASUXPXZZRR-GOSISDBHSA-N 413.544 1.022 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1749728254 DROJMVYCLRVFPN-GOSISDBHSA-N 412.494 1.286 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1749754759 RBYICGVRBZSSAY-OAHLLOKOSA-N 419.555 1.142 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](CO)O1 1750063364 OEVSUVRAHVNTIS-RRQGHBQHSA-N 400.439 1.989 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](Cn3cccn3)C2)n1Cc1ccc(C#N)o1 1750975240 WATXRFHAPSIEBS-QGZVFWFLSA-N 424.465 1.031 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1751219012 LFSKHOHLFJGLIV-FZKQIMNGSA-N 420.495 1.018 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNS(=O)(=O)CC 1760104692 CYTQHUPTRSJSAO-CQSZACIVSA-N 421.523 1.360 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1760123831 LUBFTULKQBGTIE-HNNXBMFYSA-N 413.457 1.628 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1760137700 WDKWSJANXPTEIO-CVEARBPZSA-N 402.499 1.748 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760138020 PKUYEYCJEQEUIZ-RTBURBONSA-N 416.570 1.622 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](OC)[C@H](OC)C1 1760140845 BGHASXJFVYAKIR-IYBDPMFKSA-N 417.535 1.923 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1760201821 JWEKVNNNPOFTRY-MRXNPFEDSA-N 400.552 1.129 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCOCC1 1760223713 JJVYTAPQADUWTR-HXUWFJFHSA-N 409.538 1.323 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2CCCCO2)CC1 1760251811 HYTIEAKSBZKPFX-IBGZPJMESA-N 414.554 1.619 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1760294713 DXONMGOJKUBVEG-MBOZVWFJSA-N 405.568 1.657 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](CCC)C1 1760519894 SXVICXXJVTVHLB-INIZCTEOSA-N 413.478 1.981 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC1 1761546980 OBXRUFUAMGOAMN-CYBMUJFWSA-N 417.482 1.940 30 10 HDEE CCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1762983183 BXNDTELTAVCCRY-SFHVURJKSA-N 403.462 1.537 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(=O)C(C)C 1764911801 JHXDTEXOZHGHMO-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncccc2C)CCO1 1769240008 CLYADMUAYWSZOP-LJQANCHMSA-N 417.473 1.520 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1769836816 FAQLHAFLHKIVEF-GOSISDBHSA-N 402.499 1.928 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCOCC1 1770177221 IZENQDPLEYIREJ-SQNIBIBYSA-N 406.531 1.320 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCN(C)C 1770397533 QASWEIFSPMMJGF-FQEVSTJZSA-N 402.474 1.974 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCOCC(F)F)cc1 1770739135 YBAIAGFWWXNSFW-AWEZNQCLSA-N 420.420 1.322 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(Cl)s1)ON1C(=O)c2ccccc2C1=O 1772781071 LVHISCYGKBTQFY-UHFFFAOYSA-N 400.821 1.434 30 10 HDEE O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)ON1C(=O)c2ccccc2C1=O 1772789606 VTHVDLFHIYLBTD-UHFFFAOYSA-N 410.354 1.388 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@@H]1CCN(C)C1=O 1848777099 VFUUQRIQOSSGSQ-CQSZACIVSA-N 403.863 1.003 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)CC1 1851071684 NTQCAONDLDNBQC-GOSISDBHSA-N 411.955 1.810 30 10 HDEE COc1cccc(CN2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852467191 LYAHLMRZTKTEHE-IEBWSBKVSA-N 422.441 1.674 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(OC(C)C)nc2)C1=O)[C@@H]1CCN(C)C1=O 1853828303 KFHZOSRUNXGVGI-ZWKOTPCHSA-N 414.506 1.719 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccccc2Cl)C1=O 1853829555 WIKDCBVCHGKZGF-IAGOWNOFSA-N 419.909 1.955 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(OC(F)F)cc1 1854387622 GFTCGAUQJRANDZ-UHFFFAOYSA-N 401.391 1.340 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854850014 RBACVYICDZHNST-GCJKJVERSA-N 414.481 1.511 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2)CC1 1855162264 DDTUJWWYZIFBGU-MRXNPFEDSA-N 409.552 1.218 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1 1855423215 ACDOBLQLQWPPLU-DOTOQJQBSA-N 409.552 1.216 30 10 HDEE N#CCCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1855552431 FAESSSWZJFZVKP-GOSISDBHSA-N 418.519 1.204 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855597024 UUYJRSVEYTWXAQ-DLBZAZTESA-N 409.490 1.770 30 10 HDEE C[C@@H]1CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855950733 WOZQLBWXQFTMBR-VQIMIIECSA-N 417.531 1.517 30 10 HDEE CCCn1c(C(=O)N2CCN(CCC#N)CC2=O)cc2c(=O)n3ccccc3nc21 1855988362 VWBLRJHYAYADFH-UHFFFAOYSA-N 406.446 1.257 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857317329 XJLLVVWOAFOCNK-HNAYVOBHSA-N 419.472 1.991 30 10 HDEE N#Cc1cccc(Nc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ncn2)c1 1858248248 CXSXZGBRDJGJDZ-UHFFFAOYSA-N 422.470 1.712 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c(OC)c1 1858298761 YLQBMIPQCODURY-INIZCTEOSA-N 415.471 1.768 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cc(C)ccc1S(C)(=O)=O 1860993604 XKCXBTQCOJOLDX-GOSISDBHSA-N 416.499 1.747 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)c1cccn(CC)c1=O 1861274481 MDGKQZCAKHTVGE-IBGZPJMESA-N 411.458 1.437 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O 1861525155 KRYUOCMYLVDCAA-LJQANCHMSA-N 423.444 1.842 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 1862752256 WFMMXQIBFFOVOJ-KRWDZBQOSA-N 414.370 1.967 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N(CCC#N)[C@H](C)C(=O)O)CC2=O)cc1OC 1866319735 FQRNJFXQZCNINP-ZBFHGGJFSA-N 417.462 1.310 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C)nn3CC)CC2)CC1 1889274488 AXCKJTDFVUVPBI-UHFFFAOYSA-N 401.555 1.474 30 10 HDEE COCCn1c(C(=O)NCC#CCN2CCCCC2)cc2c(=O)n3ccccc3nc21 1889561055 ITJZVRLJKYNCQZ-UHFFFAOYSA-N 421.501 1.515 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987171460 QUHUGOHNVGLBGY-LLVKDONJSA-N 411.318 1.281 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H](O)C1 1990027513 VLUBXSLAGFKLDH-JZKQVHKSSA-N 424.498 1.376 30 10 HDEE N#CC1CCN(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)CC1 2118166004 HFVHBAKBLZQELA-ROUUACIJSA-N 422.507 1.140 30 10 HDEE N#Cc1ccc(N2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c(Br)c1 2118195214 SYXHHILEEXKUAV-NXEZZACHSA-N 419.201 1.679 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2212738654 WKNFGZOCGSXZNQ-OAHLLOKOSA-N 407.320 1.703 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC[C@H]2CC2(Br)Br)C1 2218015143 OQGXXUGGNRULEZ-RKDXNWHRSA-N 401.124 1.562 30 10 HDEE CCCN[C@@H](C#CP(C)(C)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388605 JFKSSRMZRRJLAJ-LSDHHAIUSA-N 406.485 1.972 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@H]1N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2235421805 SFSQDHIOBXCAKU-ZIAGYGMSSA-N 401.359 1.291 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NC(=O)[C@H]3CCCS3(=O)=O)n2)OC1(C)C 2241112261 OTAUSKHNBFYLAD-LLVKDONJSA-N 400.693 1.550 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2243110181 NNZXVJVJUMGYAI-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCNC(=O)OC(C)(C)C)n1 2243424662 VPFLGZFMONRUDP-UHFFFAOYSA-N 405.304 1.944 30 10 HDEE N#Cc1ccsc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2249447769 HVVQJXXXXUZGHC-CYBMUJFWSA-N 409.445 1.741 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CS1 2267411080 SYMFAOTVWAXPNV-QWRGUYRKSA-N 404.388 1.756 30 10 HDEE Cc1sc(C(=O)NCCS(=O)(=O)C(C)C)cc1B1OC(C)(C)C(C)(C)O1 2281957453 MGTFWJRKNFOXCP-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CCC[C@]1(O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332535 CKRORRDRBLXAAF-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CN(C)C1CC(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332566 DAMOYDBSMKNHMD-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CN(C1(CCO)CCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338113 LPVVIGQSIUVYRK-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CCN(CCC(=O)OC)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282340958 LVJONHVYOXCBTK-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@@H](CN)C2)OC1(C)C 2282505698 HPHFIPRYRHEXMP-TZMCWYRMSA-N 400.375 1.594 30 10 HDEE C[C@H]1CN(C(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2282520569 RLNGSDMWRFHAKF-PHIMTYICSA-N 400.331 1.090 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2282587689 AUMWUCBIASZMDO-NEPJUHHUSA-N 401.359 1.941 30 10 HDEE CO[C@@H]1CNCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282613858 NORPPRNWUSKMFS-VXGBXAGGSA-N 400.737 1.807 30 10 HDEE CN(C[C@H]1CCSC1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282831980 HMYLWEKDFYALKD-GFCCVEGCSA-N 401.363 1.093 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282849063 VZEGRCFFQDOHPO-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CCCS(=O)(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859152 IOYVWJMOEIRCGR-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282859581 OCEYDPZHFHEEOL-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC(C)(C)N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880301 HEPVALBQJQXYST-UHFFFAOYSA-N 403.375 1.970 30 10 HDEE C[C@@H]1C[C@@]1(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400169 SJWZCHALEICZCZ-HWPZZCPQSA-N 401.315 1.436 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)CC(=O)O 2284404674 ZVUOKHGSTYKJFR-JTQLQIEISA-N 403.331 1.839 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H]3CC(=O)O)s2)OC1(C)C 2284413082 GNVJBOXVGMHBNU-WDEREUQCSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@](C)(=O)CCC(=O)O)c2)OC1(C)C 2284414737 JKFYJCNXQCYHHS-RUZDIDTESA-N 423.343 1.309 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2286864747 ZFPRDBHWUJMDLB-STQMWFEESA-N 400.375 1.775 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331293351 AAPOCJCRYUJMTA-UHFFFAOYSA-N 424.479 1.640 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365204374 MZFCFAKICVHWPN-KHYOSLBOSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@]2([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365209244 FLPMIQGOGPWNFI-YZVOILCLSA-N 400.541 1.556 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2367800569 KUFVTNIPULBINO-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE CC[C@@H]1CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OC(C)(C)C 2367823491 PTANUWDQRSVYEJ-VCBZYWHSSA-N 400.541 1.435 30 10 HDEE CC(C)[C@@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367855311 HJVQVLJQBHILTF-GDBMZVCRSA-N 401.525 1.684 30 10 HDEE Cc1cc(C)n(-c2nnc(N/N=C3/C(=O)Nc4ccc(Br)cc43)nn2)n1 20353096 KIQNQZYFTMSTBK-UHFFFAOYSA-N 414.227 1.600 30 10 HDEE N#CC(C#N)=c1s/c(=C\c2ccc(F)cc2F)c(=O)n1-c1ccc2c(c1)OCCO2 32854000 MVQINENRIVNMDJ-GXHLCREISA-N 423.400 1.975 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3nnc4n3CCC4)CC2)c1 47231343 QKTMKEOWPUMBSL-UHFFFAOYSA-N 415.519 1.708 30 10 HDEE COc1ccc(-c2nc(SC)nc(N3CCN(CCO)CC3)c2C#N)cc1OC 62046273 KVBYFRGVPCEPKE-UHFFFAOYSA-N 415.519 1.869 30 10 HDEE N#Cc1c(CCCNc2ccnc(N3CCOCC3)n2)nn(-c2ccc(F)cc2)c1N 428095080 IVMHLTBTGKFKMP-UHFFFAOYSA-N 422.468 2.137 30 10 HDEE CO[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[C@H]1C 467295920 WDLSADAMBFMYBJ-QAPCUYQASA-N 413.478 1.812 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1[N+](=O)[O-] 480730787 QFBFNEPRFVEHFZ-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C[C@@H]4NC(=O)NC4=O)cc3)CC2)n1 481116287 UOXSFSIEZNKLEX-KRWDZBQOSA-N 419.445 1.058 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C(=O)OC)c2cccc(O)c2)cc1 497788703 XHLYUYHEGMHXCY-QGZVFWFLSA-N 404.444 1.501 30 10 HDEE COC(=O)[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 504964318 XJJFWHZJWPYUCA-PKOBYXMFSA-N 420.425 1.794 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N1CCC(C)(C#N)CC1)CC2 505008880 LBHILHQQFKEIFW-UHFFFAOYSA-N 404.492 1.026 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(C)cc2OC)CC1 505916305 AFFZVBLBRIPPJM-UHFFFAOYSA-N 410.312 1.826 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c1 514648787 WNEHNXQNZQLLHG-QGZVFWFLSA-N 411.527 1.425 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCO3)c2=O)c1 522675766 RGWFMFDTTXCLDY-GOSISDBHSA-N 424.522 1.970 30 10 HDEE CNC(=O)c1ccc(CN(C)CC#CCN(C)Cc2ccc(C(=O)NC)cc2)cc1 530471393 OYQMLRWWMXUGPU-UHFFFAOYSA-N 406.530 1.973 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)cc1 533544891 SDDNIPKIDWOLFF-INIZCTEOSA-N 424.522 1.827 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCOC1 533544996 BMMYGOSIBPFBGU-HNNXBMFYSA-N 412.486 1.958 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccccc2-c2nnnn2C(C)C)CC1 541490687 MEIHEKDQBJGMSS-UHFFFAOYSA-N 412.498 1.373 30 10 HDEE Cc1nn(C(C)(C)C)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 542336120 DACZWIIDPQADGU-UHFFFAOYSA-N 415.519 1.965 30 10 HDEE CCOC(=O)c1sc([C@H](C)NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1C 543542949 QNUSDIDPVMODTA-JKSUJKDBSA-N 421.567 1.971 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc4cccnc34)n2CC)CC1 558867975 NEJLDLGREMCJFI-UHFFFAOYSA-N 405.506 1.937 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 585670008 WWQXDGYVXAURNK-UHFFFAOYSA-N 405.304 1.994 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 604162210 WDCQDJIGPMCOAR-UHFFFAOYSA-N 410.522 1.619 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 609459943 QXDDBTWYYSMWBQ-ARFHVFGLSA-N 407.467 1.746 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)NC1CCN(c2ccc(C#N)cn2)CC1 611082357 FBORULOXRWNEKH-UHFFFAOYSA-N 414.487 1.996 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 702788671 ZOLODFCUQKNNRV-JSGCOSHPSA-N 415.899 1.718 30 10 HDEE C#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 731639979 XHYZNXKVSUXCJE-QRQLOZEOSA-N 418.515 1.747 30 10 HDEE C[C@H](CC(=O)N1CCN(c2ccccc2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742464278 CRMSBOBPZGRXJY-MRXNPFEDSA-N 412.515 1.853 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCCC1 746246297 BCYNFUOTUVSWKV-INIZCTEOSA-N 421.523 1.081 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 751970684 DFGRJFYEZWFOPP-IAGOWNOFSA-N 408.545 1.610 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(F)ccc1OC(F)F 760106316 HTFFIVVTCWALKD-BUHFOSPRSA-N 412.324 1.008 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 770655001 JIMGAJAAMIPLKW-ZWKOTPCHSA-N 404.488 1.294 30 10 HDEE COC(=O)C[C@](C)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(F)c1 789890673 SWESRSGFDASYDR-XKUVRLAISA-N 403.410 1.637 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(CN3CCN(C)CC3)c2)n1 790105151 FDYVPWRDKNMKLA-UHFFFAOYSA-N 409.534 1.553 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)[C@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)cn1 794611507 BKIHKVNZPFEKFQ-HNNXBMFYSA-N 424.482 1.207 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1cccc(Cl)c1Br)n1cnc(C#N)n1 798861775 OQGMHZNXFNXTCF-ZETCQYMHSA-N 418.660 1.632 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)C(=O)NCCF)C1=O 799861850 LWFQNNVQBKMAPZ-FZMZJTMJSA-N 405.455 1.100 30 10 HDEE Cn1nc(O)c2c(C(=O)N3CCN(c4ccc(C#N)nc4)CC3)cc(C3CC3)nc21 801288014 MACPZLFMSXOAJU-UHFFFAOYSA-N 403.446 1.780 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 802668401 VHJJSCOHYKZPBJ-ZDUSSCGKSA-N 419.890 1.608 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)c1 803923147 IONFXOVCLBUCMR-UHFFFAOYSA-N 417.418 1.558 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 809890175 VSVWDBROYJURHK-RHSMWYFYSA-N 402.451 1.623 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812354982 QQPBJWAHZGCQBA-HNNXBMFYSA-N 409.537 1.180 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3ncc(C#N)cc3C)CC2)nc(C(C)C)n1 815338086 LWLUTOIYJQMVKO-UHFFFAOYSA-N 422.489 1.989 30 10 HDEE COc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1 816695117 VVCCNTOYEBDQFI-MRXNPFEDSA-N 405.432 1.216 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CN2C(=O)COc3ccc(Cl)cc32)CC1 818031651 ONMKMVUVZIOSBU-UHFFFAOYSA-N 411.849 1.681 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3cc(C#N)ccn3)CC2)[C@@H](c2cnn(C)c2)C1 849492268 QMSCWLRSRMPIPU-LEWJYISDSA-N 421.549 1.849 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)CN1C(=O)NC(C)(C)C1=O 911942827 GPUORANFLGBZHR-ZDUSSCGKSA-N 416.434 1.204 30 10 HDEE C[C@H](OC(=O)Cn1c(O)nc2ccccc2c1=O)C(=O)N(CCC#N)c1ccccc1 915402030 BOXRDULKJXJEBH-HNNXBMFYSA-N 420.425 1.981 30 10 HDEE COCCn1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)cn1 1084160645 CLDYCJOVPMCADC-UHFFFAOYSA-N 415.483 1.012 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)cc1 1116380222 KZOFXCSCVDUWGA-UXHICEINSA-N 415.490 1.912 30 10 HDEE Cn1cc(CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)c(-c2ccc(C#N)cc2)n1 1127890424 CPLZAGJNZYDHDC-UHFFFAOYSA-N 406.446 1.440 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[S@](=O)[C@@H](CC)C2)s1 1140457058 KXKGZOUQSRIURG-RLVYNTFLSA-N 404.579 1.513 30 10 HDEE N#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1140740073 YEXGJBZFVVYDOP-ZDUSSCGKSA-N 405.398 1.107 30 10 HDEE CCOCn1nc(C)c(C[C@H](C)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1C 1144429638 XIKSXGOTDCVKQD-IRXVASQBSA-N 403.483 1.315 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 1146220266 CAKCORSBUQOPAD-GOSISDBHSA-N 417.462 1.944 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1cccs1 1151546610 UMRQYRNPZGBGTO-ZDUSSCGKSA-N 415.537 1.449 30 10 HDEE C#CC[C@H](NC(=O)CCCCCn1c(S)nc2ccccc2c1=O)C(=O)OC 1161455198 PXLGBQBUMAYRSY-INIZCTEOSA-N 401.488 1.927 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)N1CC(F)(F)C(F)(F)C1 1161494599 MLLCOGGEMRFJBD-UHFFFAOYSA-N 424.294 1.976 30 10 HDEE Cc1ccc(C(=O)NC[C@H](CO)c2ccc(F)cc2)cc1S(=O)(=O)NCC#N 1161830815 KCOXXBANTUNRMY-MRXNPFEDSA-N 405.451 1.442 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C(N)=O)C1 1211600404 GTBUBTQKZWDOPS-QPUJVOFHSA-N 404.261 1.734 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1213278900 PMDOWMNLUXKGJN-VIFPVBQESA-N 408.245 1.691 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 1251987635 CYEWKGHUFIXRDU-FQEVSTJZSA-N 411.506 1.122 30 10 HDEE N#CC1(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)CCOCC1 1256339628 GUTTURAOKCWBQK-UHFFFAOYSA-N 424.498 1.598 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)CCOC(=O)CNC(=O)C(C)(C)C 1264937473 DDMTZBDWDAYLNM-UHFFFAOYSA-N 403.479 1.629 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CC(=O)N1CCOCC1 1286432374 HJTBPCLMZMPEPW-UHFFFAOYSA-N 405.502 1.385 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286504259 PJAZCNGMIKOHSE-DNVCBOLYSA-N 400.508 1.486 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)NCCOC)CC1 1286558858 RIDWSFSKDGGAEB-HKUYNNGSSA-N 405.543 1.801 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1CCC(=O)NC 1286742031 NCAAITFNWVTMIJ-UHFFFAOYSA-N 402.462 1.935 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)C[C@@H](C)C(=O)NC 1286789969 YTGYOAZWUQEDPC-CQSZACIVSA-N 402.474 1.129 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@@H]1C(=O)OC 1289742461 SJTUSCVVTJQGMU-CALCHBBNSA-N 410.430 1.498 30 10 HDEE CC[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293587533 POGUBGKEAWCYFA-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1297977007 FKNBNDDHTNRCAG-HNNXBMFYSA-N 416.457 1.593 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1300479107 IJZFCFSQCZWWJD-INIZCTEOSA-N 404.540 1.467 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](CN2CCOCC2)C1 1300897123 OGSXKWRCBIAAEM-DYXWJJEUSA-N 419.570 1.954 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCS(=O)(=O)N(C)C)CC1 1301065804 JNRFRVJBHXRLPE-OAHLLOKOSA-N 401.533 1.050 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1301236795 JWILSRCUVCDCDJ-MRXNPFEDSA-N 404.515 1.069 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301497204 RQZNJHLLEHBZEX-AWEZNQCLSA-N 420.477 1.090 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCOC2(CCOCC2)C1 1301586902 KLBTVZOQQRWMJO-UHFFFAOYSA-N 412.556 1.463 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1304317907 CMLKMHLETDINMH-OALUTQOASA-N 419.507 1.526 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1F 1312866958 XYNBNEKMHVMVSV-MRXNPFEDSA-N 422.416 1.904 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1312904521 FOKZRZSCRZVAFC-AWEZNQCLSA-N 408.476 1.208 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1315036390 ZLJPIZJQAAJMNE-CZIZESTLSA-N 423.477 1.044 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCO[C@H]1C=C 1347089784 ANNOVNUDHBLCIB-NRKLIOEPSA-N 404.511 1.089 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1358885167 FBNBHZTVHQXHHK-MRXNPFEDSA-N 420.473 1.917 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCNS(C)(=O)=O 1358939458 WYYZGLOROBNXMW-AWEZNQCLSA-N 409.487 1.566 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccc(F)cc1 1358992524 NXXMUROCIXWKKT-PGRDOPGGSA-N 409.465 1.739 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(-n2cncn2)c1 1358994459 NUEZVLLZJQYEJJ-LJQANCHMSA-N 401.474 1.874 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ccc(OC)nc1OC 1359027888 ZIFIHZQFGPMNMB-MRXNPFEDSA-N 401.467 1.676 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(COC)CC1 1359048878 CURNOMIGVPITCE-AWEZNQCLSA-N 415.585 1.118 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1359062424 HWRKZTKYNFRDPG-ROUUACIJSA-N 421.567 1.427 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1359121950 PFSKLBOWKOUGDE-YMAMQOFZSA-N 401.508 1.371 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1359301452 YWEOXFOYXFOZOK-UZLBHIALSA-N 412.425 1.535 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCc3cc(C#N)ccc32)C1=O 1436669218 PHWABIPRTKPNQS-JOCHJYFZSA-N 404.426 1.923 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CCCS2(=O)=O)c(I)c1 1439396505 IPNUINIFWJCMAF-UHFFFAOYSA-N 419.244 1.527 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@@H]4CCC[C@H]43)n[nH]2)c1C 1449588890 JPIICNUITYVOMV-IAGOWNOFSA-N 403.508 1.868 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1452755211 HOMFSSHPBIQCMV-CXAGYDPISA-N 414.487 1.118 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C3(c4cccc(C#N)c4)CC3)CC2=O)C1 1456823912 LUWHJYUWRYQKCI-KRWDZBQOSA-N 424.501 1.926 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3ccnc(C(=O)OC)c3)ccc2c1=O 1457955163 BJACBGJSQOXGBI-UHFFFAOYSA-N 410.455 1.983 30 10 HDEE C[C@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)n1nnnc1C(C)(C)C 1458001750 IAVCOARTKNMPPK-GFCCVEGCSA-N 400.439 1.436 30 10 HDEE C#C[C@H](NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@@H]1CCCO1 1459982263 FVJIHGOEXZOWNW-OALUTQOASA-N 405.520 1.570 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC)Cc2ccc(Br)cc2)C1=O 1461753481 IGLXFJFYRNSEGR-CQSZACIVSA-N 422.279 1.863 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C(C)C 1462942258 OBOMFIKKVYCJIP-UHFFFAOYSA-N 409.483 1.162 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCCCN1CCN(c2ncccn2)CC1 1464952016 JCAILZXJNUSHCB-RMKNXTFCSA-N 411.481 1.917 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F 1467724629 GHYXXBAWLBBZSR-UHFFFAOYSA-N 407.458 1.950 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)c1ccccn1 1468413103 HUICJKVAYQSJSZ-IRXDYDNUSA-N 416.503 1.385 30 10 HDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1 1469266199 GAKMXDKKVAMXHA-TZMCWYRMSA-N 418.441 1.862 30 10 HDEE C#CCN(C(=O)NCc1nn(C)cc1I)C1CCN(C)CC1 1470146645 IITZVSHHAJSOMQ-UHFFFAOYSA-N 415.279 1.264 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1c1cccc(F)c1 1470149074 ZPVQATBMTFSJDU-AUUYWEPGSA-N 417.462 1.964 30 10 HDEE C#CC[C@]1(C(=O)NCCCN2CCC[C@H]2C(N)=O)CCCN1C(=O)OC(C)(C)C 1470239555 ODIVTAMZUJFGQF-HRAATJIYSA-N 406.527 1.235 30 10 HDEE C=CCCSCCNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1470734200 PKBFVDIHYYJZER-UHFFFAOYSA-N 401.558 1.054 30 10 HDEE C#CCN(CC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@H]2C1)C(=O)OC(C)(C)C 1471121390 FPYFKHBJAVPWEN-ROUUACIJSA-N 414.506 1.888 30 10 HDEE Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1473663948 WCTKRGDWYCIPAI-UZLBHIALSA-N 420.535 1.579 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1478878988 YISQQRAKIPCDQS-QGZVFWFLSA-N 401.511 1.121 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)NCc3nc(C#N)cs3)O2)C1 1478996517 IQSPZHGIJYAQSE-ZDUSSCGKSA-N 407.496 1.982 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1479061594 UJMOZRVDPHDITM-KFWWJZLASA-N 405.417 1.282 30 10 HDEE C[C@@H]1C[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCO1 1493324880 APXUOHYKLMJFPN-OIISXLGYSA-N 407.540 1.735 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1493740411 NGZJUSFOZZLCFX-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@@H](C(F)(F)F)C2)n1 1503671340 FHQWYHKDLKKOBF-CQSZACIVSA-N 418.383 1.761 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1507611508 MNCSIZPPOJRIMO-OAHLLOKOSA-N 410.478 1.406 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507631101 MAQXMPFSUNYUNU-SFHVURJKSA-N 405.568 1.658 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CN(CC(C)C)CCO1 1507709351 VMULMSXEFYUWBK-HXUWFJFHSA-N 412.538 1.783 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@@H]1C 1507713088 XRGCTDJOIRUTAQ-PKOBYXMFSA-N 422.533 1.766 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)CC1 1507901612 CEGVOGJGMIIGRZ-OAHLLOKOSA-N 420.539 1.771 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cncn2)CC1 1507944182 PHMGVQWVAWWPDB-OAHLLOKOSA-N 422.559 1.363 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507966716 BIOWYJCCAXSAKR-GVDBMIGSSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1508089222 WOFCBXVPMOQVNH-DZGCQCFKSA-N 404.515 1.807 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nccs2)C1 1508091803 WOUCINZCXNLYEV-HUUCEWRRSA-N 418.523 1.509 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(CC(N)=O)CC1 1508094952 KAEJESCBAVRQCZ-UHFFFAOYSA-N 410.522 1.457 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1508120195 ZEYLGTBDNIJMFU-HOTGVXAUSA-N 411.466 1.110 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1508141851 PIKFSUYJFARURP-CABCVRRESA-N 412.512 1.120 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1510091551 CGGPKMOHERQXES-QGZVFWFLSA-N 407.522 1.875 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1512496392 FDFUHZSMRKIHIN-HRAATJIYSA-N 412.494 1.020 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)[C@H](C)C1 1520928778 CGWWFIIGBNKAPX-LLVKDONJSA-N 400.298 1.817 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c(C#N)cn1CC 1528979204 GHEXINVVGTVSPZ-ZIAGYGMSSA-N 400.435 1.670 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3ccccc3Br)CC2=O)cn1 1529753885 QCNIHXUREKTQSQ-XHDPSFHLSA-N 402.252 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(F)cc1)N(C)C 1539259334 CMQUBVJIJQJHSB-RBUKOAKNSA-N 408.481 1.744 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCOC3)n2CC(C)(C)O)n1 1539424201 NYUZCUSEOJBSEH-QGZVFWFLSA-N 416.526 1.426 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCCN2CCC[C@H]2CO)CC1 1539446566 GFIUVTYJJFNVMK-FQEVSTJZSA-N 400.571 1.538 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(C)=O)CC1 1539630196 ZKRMFDYJQJADCP-LPHOPBHVSA-N 411.510 1.821 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1539789886 BKSRNYZNXJXGTO-UHFFFAOYSA-N 400.870 1.864 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1540072288 KCZGPVQHAQWVNC-SFHVURJKSA-N 419.551 1.784 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1540871434 LQXUKXREDWNKOO-LJQANCHMSA-N 416.570 1.787 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2ccnc2C)C1 1540884833 VVOGHZFPLDKELR-NQIIRXRSSA-N 416.526 1.917 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCSCCCO 1546532959 XAYQDGVCBBUYKS-HNNXBMFYSA-N 416.555 1.333 30 10 HDEE COC[C@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555335964 KPGIELUJEKAJEG-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1555648600 COPMINWTRIMSHO-HFUDNHEJSA-N 404.471 1.129 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)CCO1 1555994077 UJGZLWMEVRZGQS-MOPGFXCFSA-N 424.505 1.607 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C(=O)NCC(F)(F)F)C2)c1 1556288605 BJUNZPKMFOWWKW-SNVBAGLBSA-N 421.372 1.264 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H]2CC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1 1556362255 XCOYOIKHPGUGHU-CYBMUJFWSA-N 419.894 1.750 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OCC 1556642141 AXQXQYSMNVOUOM-HNNXBMFYSA-N 406.460 1.621 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1556687670 OKMVFSVZRIXFRJ-SJORKVTESA-N 424.519 1.756 30 10 HDEE CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)N[C@H]2CCCN(O)C2=O)cc1 1556782449 IFJWLVCXKPONOA-JKSUJKDBSA-N 405.520 1.996 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 1557534167 AASWMJGPXMLDLX-FNHZYXHNSA-N 415.519 1.486 30 10 HDEE C#CC[C@H](COC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1557769920 OYPBIUJIVQQDGY-OAHLLOKOSA-N 418.471 1.970 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CC[C@@]2(CN(C(=O)OC(C)(C)C)CCO2)C1 1558294418 QSOZTZUDOGICFP-FQEVSTJZSA-N 402.451 1.819 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1561089978 DDNYYTBVRGDBQZ-UHFFFAOYSA-N 407.464 1.151 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CC2 1564690802 YFGHXGOIYJRWOT-HXUWFJFHSA-N 418.501 1.888 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)cc1 1564798881 TWBHGBBZIAVMDK-UHFFFAOYSA-N 405.462 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1565629932 MSHUKVCRHXUDPC-ZFDMEJTGSA-N 406.483 1.666 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCC2(O)CCS(=O)(=O)CC2)s1 1568985433 BBFHPXNYKLSDDV-UHFFFAOYSA-N 424.997 1.895 30 10 HDEE Cc1nsc(N(C)C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)c1C#N 1584665315 LWJHDCXAHUPISL-GFCCVEGCSA-N 407.496 1.754 30 10 HDEE CSCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(N)=O 1584717467 IAKBYFMVQLJTKM-AWTNTWDUSA-N 410.540 1.496 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC(=O)OC(C)(C)C)CC(C)(C)C)c1cc[nH]n1 1585470778 WVPCUMORMSAFAX-UHFFFAOYSA-N 424.498 1.910 30 10 HDEE CC(=O)NC[C@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1586550979 QTXBTZRFBMQSAK-KRWDZBQOSA-N 402.300 1.271 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1588276567 QPKRRRQQLVXVMB-UHFFFAOYSA-N 413.507 1.344 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1588400208 XZXHVGDJHNNCJF-LJQANCHMSA-N 423.477 1.424 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588733450 SXJBGBAZWMKSGR-QZTJIDSGSA-N 402.543 1.377 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCc2ccn(C)n2)CC1 1588848688 LIUJLAWQBIGIJU-UHFFFAOYSA-N 407.497 1.739 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCC(=O)N(C)C)CC1 1588913197 BODJHVAVNFSXQT-UHFFFAOYSA-N 423.521 1.174 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOC)C1 1589528463 GMKOPBRGYIAZAZ-NEWSRXKRSA-N 416.526 1.902 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1594454573 GKWYCIKAGKJDMS-SOUVJXGZSA-N 415.560 1.341 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1594714055 RDVJXROHIHUBDG-UHFFFAOYSA-N 400.531 1.291 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1595228461 CVXJLGKHKROYFQ-UWJYYQICSA-N 401.511 1.917 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C(C)C)C1 1595467753 YSSDDIXVPYEWCT-HNNXBMFYSA-N 406.556 1.394 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1ccccc1N1CCOCC1 1595761295 ZLYLVHXWHQBXEF-UHFFFAOYSA-N 419.551 1.660 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2)cc1 1598182350 SIXNEERMBJQAAN-WCIBSUBMSA-N 418.446 1.606 30 10 HDEE C[C@H]1CN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1610963015 IORSENVYVGUNLR-DILDSAGESA-N 406.527 1.610 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)CC1 1611251794 FMASAIMGBBMJTM-VQTJNVASSA-N 414.506 1.716 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)NO)cc1)C2=O 1618008456 VQCMVLAMKPFDRA-CHWSQXEVSA-N 402.451 1.169 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1625799829 AKUYUTWCSBUBIE-INIZCTEOSA-N 415.494 1.735 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[C@H]3NS(C)(=O)=O)n[nH]2)c1C 1630585545 PSBNGTXCDOXZGG-HUUCEWRRSA-N 420.539 1.524 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]12COCCN1C(=O)OC2 1632441276 YPWKHZHXEKKIDA-SJKOYZFVSA-N 403.863 1.360 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]2OCCNC(=O)[C@H]21 1632871597 GYFQBZMYZMUUBD-IHRRRGAJSA-N 401.891 1.528 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)CC1 1634011716 QRTFTBPRECLEDZ-UHFFFAOYSA-N 417.575 1.872 30 10 HDEE C=C[C@@](C)(O)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1634740954 GBQHLUYVKAMAOZ-XJKSGUPXSA-N 417.325 1.655 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)c1 1635244720 KRVNKTOFJWLSSO-IBGZPJMESA-N 404.532 1.811 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)C2)nc1 1635415510 ISKURGQYTOKADJ-INIZCTEOSA-N 417.466 1.474 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 1637389482 HQLXYEQPURVAFY-QGZVFWFLSA-N 405.495 1.578 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1638491616 GCAGZQGGYVKWNQ-LSXCKUSFSA-N 400.541 1.842 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3cc(N4CCOCC4)ncn3)CC2)c1 1639556416 LTTRUDAIKOSLSS-UHFFFAOYSA-N 406.490 1.579 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CCO2)cc1 1639637945 JRVMMIMAGGBXFQ-FQEVSTJZSA-N 414.483 1.467 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN([C@@H](C)C(=O)NCCCOC)CC2)cc1 1641727789 MRYOKYPIVVHVRE-SFHVURJKSA-N 400.523 1.155 30 10 HDEE Cc1ccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1643772376 JZQSWALMLNJHSU-SJLPKXTDSA-N 421.519 1.237 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(CN1CCS(=O)(=O)c1ccc(C#N)cn1)C2 1643818432 QJKMJYFKYZQBKA-UHFFFAOYSA-N 406.508 1.716 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(CC(N)=O)C3CCOCC3)C2)C1 1644586015 XPYUANZVKFJPDR-DBWCEAHUSA-N 420.510 1.266 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1647885617 JOCBIBSWNGHYMZ-QZTJIDSGSA-N 417.579 1.694 30 10 HDEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@H]2c2ccccc2Br)CCOCC1 1658122035 UYVOMPHTZREBPA-RHSMWYFYSA-N 422.323 1.993 30 10 HDEE CCOC(=O)[C@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 1660229556 HAIBMFAQKHZDKM-DENIHFKCSA-N 400.523 1.747 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)c1 1660289517 IYQXYZICRRURNZ-OTWHNJEPSA-N 401.463 1.211 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)cc(C)c2F)n1 1661770261 NLDNWUQITQYPLX-UHFFFAOYSA-N 423.466 1.588 30 10 HDEE C=CCCCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1665982631 LILYCVCDSDOLGO-UHFFFAOYSA-N 402.538 1.684 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CCCN(C2CCC2)C1 1681273349 MZVCYRUQCPKWOY-KBPBESRZSA-N 400.483 1.040 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccccc1 1683676412 MNKAMIPVDHMWMX-QGZVFWFLSA-N 402.476 1.682 30 10 HDEE CSc1ccc(CNC(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1C#N 1685883330 JPXPLCOJKZMZAS-QAPCUYQASA-N 409.533 1.816 30 10 HDEE CC(C)(C(N)=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1686928965 AQEZZXADXWOHFZ-UHFFFAOYSA-N 412.538 1.114 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)c1cccc(O)c1 1689860895 KJKAFECQRDMNDA-MRXNPFEDSA-N 424.505 1.384 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1690088075 ASAKVYNINYNMEP-AWEZNQCLSA-N 423.514 1.438 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1690133696 QHFLTSXQVQKTFP-IBGZPJMESA-N 422.533 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1CCCO 1690188320 HLMGPPSLQQKNEM-DYESRHJHSA-N 402.543 1.255 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(N)=O)C1 1690237133 VWHHVHSZRKTADF-INMHGKMJSA-N 418.542 1.489 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CSCCS2)CC1 1690364671 VIXDSTOCSKEZDJ-KGLIPLIRSA-N 417.626 1.893 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCOC[C@H]2C1 1690662053 PQNNYHHUKJPRID-QGZVFWFLSA-N 416.913 1.422 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](Oc2ccccn2)C1 1690669251 ZGODQFBGXSBQSV-INIZCTEOSA-N 408.466 1.034 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCCCCC1 1690714446 MRLANGYARNGYKE-UHFFFAOYSA-N 409.556 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1690725638 XGQUGXRTTNRGCM-AEFFLSMTSA-N 407.584 1.894 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC(=O)N1 1691328888 PFAOAIFLSKXMMR-NOAAKOMESA-N 404.490 1.917 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1694613806 XICBIFOHSZUIGL-HOTGVXAUSA-N 413.526 1.807 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1696413040 OFIZBNDFRUZTEB-UHFFFAOYSA-N 410.400 1.968 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705514364 SYVMTAYPDGOGIF-IBGZPJMESA-N 408.510 1.892 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1705555802 AJSPBZGYUSYOCZ-UHFFFAOYSA-N 406.490 1.663 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)C(C)(C)C 1705617374 RXHSKBSAWPEGDT-UHFFFAOYSA-N 406.556 1.813 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCS(C)(=O)=O)CC1 1705636888 BDYJIIABHZCJFN-UHFFFAOYSA-N 401.536 1.443 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1705736972 HKUYEIPMXNREPM-VQIMIIECSA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1705754865 HETVPCZSDFHGEH-JKSUJKDBSA-N 410.950 1.571 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705809736 AXDVFIZFLQAASQ-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)S[C@@H](C)C1 1705932100 LHGCJCMEODLPDX-KBPBESRZSA-N 408.553 1.666 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1706747828 COZFMXMCIDAUQP-MGPQQGTHSA-N 413.448 1.852 30 10 HDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1711207177 DSXNZXDMAUZMQN-GOSISDBHSA-N 415.542 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1722379013 VADNPHKVBBVJQE-UHFFFAOYSA-N 414.469 1.425 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722581044 RIIBPTSVSADQHL-QGZVFWFLSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722698364 FDPLBPMJXWEBLH-RBUKOAKNSA-N 422.489 1.534 30 10 HDEE CON(C)c1nnc(Cc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1730968057 FOERMIJAFBIGFO-ZCXUNETKSA-N 400.414 1.532 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccn2)nnc1N1CCC(F)(F)C1 1731217039 CKSOLLPKOVVVQS-BMRADRMJSA-N 415.404 1.712 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1c(C)cccc1C 1740683830 GNIHAXMRNQEFRX-KRWDZBQOSA-N 424.505 1.571 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCn2ccnc2C)CC1 1740833681 WBSRJGNMDQVHMK-AWEZNQCLSA-N 407.544 1.496 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1740932174 INJRGJQLLAXIRM-ZIAGYGMSSA-N 402.467 1.783 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745095065 DNJJPELPCMMPLG-UDLYIEAKSA-N 421.509 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1748666623 DYIDFNFHDLPZHZ-YOEHRIQHSA-N 404.478 1.625 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1748672413 UFKJYEAWFLXISX-QWHCGFSZSA-N 423.461 1.411 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2CCOC[C@@H]2C1 1748734603 JIFBMLSTJKFDLG-HNNXBMFYSA-N 419.327 1.970 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N1CCOCC1 1748956866 MJYOQHKEEDBSCA-GOSISDBHSA-N 408.506 1.623 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1749426405 BGKBGCBHEWFBQM-MRXNPFEDSA-N 422.555 1.707 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(CC)C[C@@H]1CCCO1 1749729240 FIGAEVKNKQPAJV-INIZCTEOSA-N 407.540 1.890 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CC=CCO2)c1 1750381512 WBYLNKHSKFQFIF-LJQANCHMSA-N 422.489 1.633 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1760123507 GZOGAKQLJLLEJG-AWEZNQCLSA-N 408.437 1.996 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760183224 PGVZYWPTRIQZHL-RDJZCZTQSA-N 404.540 1.395 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2cccnc12 1760205814 KMEJOWONIAJLMG-IBGZPJMESA-N 419.510 1.850 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCOC2)CC1 1760271686 GXWHIILSILFIMV-GOSISDBHSA-N 408.506 1.266 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)c2ccco2)CC1 1760382841 ZFMMNPPKRDMPII-KSSFIOAISA-N 409.512 1.545 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)N2CCOCC2)CC1 1760393851 OMIRXWYUMCOTKP-FHWLQOOXSA-N 405.543 1.879 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)F)CC1 1760524212 RULQURFTMGTMOT-AWEZNQCLSA-N 416.448 1.159 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCn2ccnc2C)C1 1760534613 CLBSNUXFJKITIL-KRWDZBQOSA-N 422.493 1.912 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1762980354 WZPNOKIMQJEBPE-NYAYQYMKSA-N 424.509 1.687 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1766983548 JHHWYQYGKJVTFA-DVSFIDLUSA-N 423.477 1.015 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1767549615 JTDSNESJBFWTBV-LJQANCHMSA-N 417.445 1.220 30 10 HDEE CNC(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@](F)(C#N)C1 1769328906 DKQRWMUCLDAYGO-FQEVSTJZSA-N 408.441 1.709 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C(C)C)N1CCCC1 1771222484 IQUXUQFORSUJBP-QYZOEREBSA-N 420.558 1.851 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCO[C@@H](C)C1 1771305278 YHQPANSHLDBDGT-TXTZMMAHSA-N 405.499 1.546 30 10 HDEE COc1ccc(S(=O)(=O)N(CC(=O)N2C[C@@H](C#N)CC2=O)c2ccccc2)cc1 1852261547 XHCXLBLLBQFWGI-OAHLLOKOSA-N 413.455 1.789 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@H]3Cc4ccccc4C(=O)O3)CC2)nc1 1852608129 ZKEVCRMOBIVYOV-LJQANCHMSA-N 406.442 1.400 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@@H]4CCOC4)C(=O)C3)C2)c(F)c1 1854211452 SYJUIWIXQLWLJA-HKUYNNGSSA-N 414.481 1.369 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCSc4ncccc43)C2=O)CC1=O 1855349082 GCKZJABRJHPSGO-NVXWUHKLSA-N 414.531 1.936 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CCCN(C4COC4)CC3)C2=O)cc1C#N 1855618613 SJDUXBJITIDMIJ-NRFANRHFSA-N 410.518 1.795 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855667254 RTZDYKVQPRBESE-SJLPKXTDSA-N 414.506 1.464 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)C4CC=CC4)C(=O)C3)C2)cc1 1856108239 VQEJXDAVQDSOOZ-FQEVSTJZSA-N 406.486 1.452 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1856637437 MLXXHUYVMCTMNS-MRXNPFEDSA-N 422.551 1.088 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1856939220 POZXFGILVHJRJU-MSOLQXFVSA-N 414.510 1.319 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3nccc(Cl)c3F)C2=O)C1 1857110421 WTTWOOPFUQWBQP-CQSZACIVSA-N 415.812 1.645 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(F)cc2F)C1=O 1857146730 RJGLYNCGKRXPRX-QGZVFWFLSA-N 412.400 1.188 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc(OC(C)C)c2)C1)[C@H]1CCN(C)C1=O 1857237203 WOXWNCBAJXXHKY-APWZRJJASA-N 414.506 1.576 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCC[C@@H](Oc4ncccn4)C3)C2=O)cc1 1857432443 FMEFKRZZNBDFSK-RTBURBONSA-N 405.458 1.562 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860967926 LCEUCMCXLWTHAQ-SFHVURJKSA-N 419.485 1.820 30 10 HDEE C#CCOC1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)CC1 1891250854 KHADUZPNQQAODR-UHFFFAOYSA-N 415.309 1.368 30 10 HDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)co2)no1 1891788704 QLSNNNZKPRKFJL-GFCCVEGCSA-N 423.389 1.569 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 1900397150 PNNUKPKNYMUMBP-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CN(CC1CN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 1963348428 VGRNMIYCEBQUSP-UHFFFAOYSA-N 400.460 1.842 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 1982297998 LWVHDZJOMMXRDQ-VXGBXAGGSA-N 413.334 1.839 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H]1CCN(C(=O)OCc2ccccc2)C1 2044245110 DTOHRVDAQXQECQ-QGZVFWFLSA-N 400.460 1.830 30 10 HDEE N#Cc1ccnc(C[S@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074713811 YOXJSNCHNROUGI-JYRCXFKTSA-N 401.444 1.972 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@H](C#N)C1)NC(=O)OC(C)(C)C 2118165625 CYYCDTKOTVHKRP-FUIYZNBFSA-N 408.546 1.478 30 10 HDEE CN(C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1)C(=O)OC(C)(C)C 2174787823 YHHGOPGNXJWMQI-HNNXBMFYSA-N 401.529 1.825 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180897983 KJTALFFRCIRMTJ-SNVBAGLBSA-N 416.887 1.201 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2248056504 RIEZKMMXVXLBTO-QGZVFWFLSA-N 408.311 1.780 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248405787 WWQSTKHCVBTUNV-IUODEOHRSA-N 421.303 1.593 30 10 HDEE C#C[C@]12C[C@H](CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c3ccccc3C1=O)C2 2260237003 BBBPEKRUUGNIDX-XMCHAPAWSA-N 404.463 1.828 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(CN)CCC3)cc2Cl)OC1(C)C 2267424226 WSCKWTOPUDNFNR-UHFFFAOYSA-N 406.766 1.860 30 10 HDEE C[C@H](CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2281793388 RLKOAZIMYCCVFK-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CO[C@H](CNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)CSC 2282052130 YVYOQFXNZCRPKH-SNVBAGLBSA-N 403.741 1.481 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282060131 RZDXQMHDUHANDI-LLVKDONJSA-N 402.347 1.384 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC(F)(CN)C3)cc2Cl)OC1(C)C 2282305137 UOASLFMBNPACGT-UHFFFAOYSA-N 424.756 1.808 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]([C@@H](C)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314542 AWLGJSOMRXTNLM-CHWSQXEVSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)CCCCN)s2)OC1(C)C 2282343039 BPQFJTILMRYMOB-VWLOTQADSA-N 422.403 1.573 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C[C@@H](C)S1 2282343753 RDMLKCFMUBBQCX-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@@H](O)C2)OC1(C)C 2282501265 VEQHRPNCDWYEIK-NWDGAFQWSA-N 402.347 1.165 30 10 HDEE CNCC[C@@H](C)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506558 UGRMFZNAHXSKJQ-CYBMUJFWSA-N 402.391 1.807 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(O)CCCOC3)sc2Cl)OC1(C)C 2282625401 UYCUZXZYCBVVHV-QGZVFWFLSA-N 401.721 1.972 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC2CN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834813 YEQXKBWECJDRDQ-UHFFFAOYSA-N 400.375 1.538 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2CC[C@@H](N)C2)OC1(C)C 2282854787 VZDXLVSHIYUXAG-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE CCCN1CC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282858602 ZMTPCWSLYQVCPK-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CN(C)CCN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866354 HRTJEHCMHIEUHV-UHFFFAOYSA-N 402.753 1.821 30 10 HDEE CN1CCC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282867434 YQRPVPGXRNUCBK-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(C2=CCC[C@@H]2NC(=O)CS[C@H]2CCS(=O)(=O)C2)OC1(C)C 2283943166 VHKRIHRJUJNGTP-JSGCOSHPSA-N 401.359 1.743 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](C(=O)O)C2CC2)OC1(C)C 2284408914 CEKQDHBTBKAEQG-GFCCVEGCSA-N 401.315 1.330 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NO[C@H](C(=O)O)C2CC2)OC1(C)C 2284415992 SIUOMWRPXFZOCC-NSHDSACASA-N 403.287 1.120 30 10 HDEE COC[C@]1(C)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284698469 XKEKYZGHUDETKX-SJCJKPOMSA-N 401.359 1.998 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2ccccc2)n1N=Cc1cccn1C 2330718647 CQOGPVWLBHNLMT-UHFFFAOYSA-N 411.491 1.866 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(Cl)c1O 2330939310 ROYGESMFKUMKMH-NSHDSACASA-N 411.871 1.957 30 10 HDEE N#Cc1cc(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)ncn1 2338914973 CQECWCAGHQSLNS-UHFFFAOYSA-N 413.459 1.947 30 10 HDEE CC1(C)OB(c2sncc2C(=O)NC[C@@H]2CCCCS2(=O)=O)OC1(C)C 2362494276 NVYOPCYLYBSRPP-NSHDSACASA-N 400.331 1.139 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@@H](O)c2cn(C)nc2I)n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c1scc(C(=O)NCCS(=O)(=O)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2369515203 JCDJTMRERAKRJM-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NCC#CCOc2ccc3c(c2)OCO3)cc1 90731038 UJSHUNBBGUCHTC-UHFFFAOYSA-N 403.412 1.563 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)Cc1noc(C)c1C#N)c1ccc(S(C)(=O)=O)cc1 435973087 QAKLNKHUQFVWTK-LJQANCHMSA-N 419.459 1.395 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccccc4O)CC3)cc2C1=O 436778896 SKEMXZODLNXLSA-UHFFFAOYSA-N 419.437 1.772 30 10 HDEE CO[C@H](CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 470323112 FCTNKSWCZSKPOT-UONOGXRCSA-N 412.368 1.847 30 10 HDEE O=C(c1ccco1)N1CCN(CC#CCN2CCN(C(=O)c3ccco3)CC2)CC1 472749650 JUAWEFJSYLEDEP-UHFFFAOYSA-N 410.474 1.092 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCc4[nH]nc(C(F)(F)F)c4C3)CC2)c1C#N 472988526 AUDNJNZHHQKKHN-GFCCVEGCSA-N 421.427 1.796 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)S(=O)(=O)CC1(C#N)CCC1 477508576 PEASBFYQJBOZHA-UHFFFAOYSA-N 400.522 1.814 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2CCS(C)(=O)=O)c1 490071823 LWJPZXZNRGVMNP-INIZCTEOSA-N 414.549 1.580 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC(F)F 503067121 XRCVFNRELMNFMF-NEPJUHHUSA-N 402.423 1.999 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(OCC(F)(F)F)ccc2[N+](=O)[O-])CC1 503630664 SWNBAMAQTZOQMF-UHFFFAOYSA-N 400.313 1.734 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1=O 533163373 IRWAGKAIBMXHTA-UHFFFAOYSA-N 410.434 1.032 30 10 HDEE CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 540695830 FXHOAJNMHZIKTC-UHFFFAOYSA-N 412.515 1.204 30 10 HDEE Cc1ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1S(=O)(=O)NCC#N 557625249 ZHWHCADGVHNUEC-UHFFFAOYSA-N 418.519 1.272 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 572877168 OQGHFRHORBWLNY-SFTDATJTSA-N 424.526 1.577 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)c1C 611189727 SBPUUPBDADEKFT-UHFFFAOYSA-N 420.477 1.696 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)c(F)c1 611562367 IAEAQIKIXLQIAI-MRXNPFEDSA-N 410.471 1.033 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC(F)(F)C[C@@H]3CO)CC2)cc1 614880169 BLRSAQCABFLFCB-OAHLLOKOSA-N 413.446 1.187 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CC(F)(F)C[C@H]2CO)CC1 614917035 NOPQMSKFZIMDAE-ZDUSSCGKSA-N 421.404 1.157 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])c1 619516288 CCSXQVISXCPGSW-UHFFFAOYSA-N 402.436 1.096 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 679492976 ZTRDTQLPNFRJIE-UHFFFAOYSA-N 424.519 1.567 30 10 HDEE COc1ccc(C#CCO)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703971209 TVTPAACBSBQWTO-UHFFFAOYSA-N 414.439 1.077 30 10 HDEE CC(C)(C)O[C-](O)N1CCN([C-]2C#CC(I)=C=C2N)CC1 725537909 MGTVRFKHXLYARK-UHFFFAOYSA-N 401.248 1.548 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732462035 DKSCTXVCGRYWAO-UVTIVQHFSA-N 421.498 1.459 30 10 HDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCN(c2ccccc2F)C1=O 732891416 HSCPSVDBNIAPBB-ZDBRSUKYSA-N 415.425 1.099 30 10 HDEE C=C(COC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 734029087 RSCBFJHSAJLIAO-UHFFFAOYSA-N 411.476 1.546 30 10 HDEE CCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 746755699 SMEKEZMZONSXTF-UHFFFAOYSA-N 402.476 1.864 30 10 HDEE COc1ccc(CNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1C#N 746867296 CCVCXRRXIUGEEH-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CC1 754374027 SSXRGQVDCRHICX-MOVXZBDNSA-N 416.547 1.755 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)COc2ccc3c(c2)CCC(=O)N3)CCCCC1 760405663 IJOLXABVZXRTMR-UHFFFAOYSA-N 405.476 1.870 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(F)(F)c3ccccc3F)CC2)o1 766209228 DXONYCXWLAUFDA-UHFFFAOYSA-N 422.363 1.978 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccccc3)c2=O)cn1 772274248 CYKIFMQMIULVHW-UHFFFAOYSA-N 404.495 1.983 30 10 HDEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[C@@H]1CCS(=O)(=O)C1 773314423 ODSQYAZPYADMQA-QGZVFWFLSA-N 415.471 1.864 30 10 HDEE CC1(C#N)CCN(CN2C(=O)NC3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)CC1 779879758 RDDGRGSTQRLFGH-UHFFFAOYSA-N 405.499 1.891 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 781566375 DPCOAHZFTKXJLC-UHFFFAOYSA-N 406.504 1.964 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n1 782807263 ISJVKGLFXRDVIE-MRXNPFEDSA-N 423.864 1.535 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCC(Oc3cnccn3)CC2)C1=O 782894855 KJTKFSSIDIVUKK-NRFANRHFSA-N 406.446 1.616 30 10 HDEE C[C@H](CC(=O)OCc1nnc(C2CCC2)n1C)/N=C1/NS(=O)(=O)c2ccccc21 783160803 JJOAVLHFTQOMDM-GFCCVEGCSA-N 417.491 1.643 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(O)[C@@H](N2CCN(c3ncccc3C#N)CC2)C1 787685576 FJRIFCBDDWKKRX-LAUBAEHRSA-N 401.511 1.836 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c1 787972885 GKLQPKOQMHLODL-NSHDSACASA-N 405.407 1.789 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)cc(F)c2C)n1 788695336 JDVBIHREKSGXOS-UHFFFAOYSA-N 423.466 1.588 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(c3ccc(OCC)cc3)C2)n1 788818908 SLZQPARNGVUDGB-SFHVURJKSA-N 424.501 1.943 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C(N)=O)c2cccc(Br)c2)n1 789317324 MKSOCQUTOLFLSV-KRWDZBQOSA-N 405.296 1.954 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1 790845545 YXAVUZBNPBHRNK-ZWKOTPCHSA-N 406.479 1.758 30 10 HDEE O=C(NCC#CCNC(=O)C(F)(F)C1CCOCC1)C(F)(F)C1CCOCC1 790870332 NGRXOXXLBNUECQ-UHFFFAOYSA-N 408.392 1.346 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2ccnc(C#N)c2)C1 793284423 FMFVQAAFRSHUMN-HNNXBMFYSA-N 401.467 1.446 30 10 HDEE C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCCC1=O 793931255 HLTSARPHNIMFDD-AWEZNQCLSA-N 406.508 1.023 30 10 HDEE C=C(Br)CNC(=O)N[C@](C)(C(=O)O)c1ccc(S(C)(=O)=O)cc1 797715513 PADUIZPJYGFXBU-AWEZNQCLSA-N 405.270 1.598 30 10 HDEE CN(CCCO)C(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 799848061 BGVFSLHMIZELOR-FXBPSFAMSA-N 424.523 1.059 30 10 HDEE N#Cc1c(N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cccc1S(N)(=O)=O 800885650 GQTVYQGEQYNWOF-CQSZACIVSA-N 400.460 1.297 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@@H]1O 802626961 RTSKURPZZYJNGY-RDTXWAMCSA-N 404.438 1.460 30 10 HDEE CCOC(=O)C(=O)c1cc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)cn1C 805044451 SNSIFILYZKLBNW-UHFFFAOYSA-N 405.432 1.130 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808303246 YUZFXDNKZCPIIX-QGZVFWFLSA-N 401.488 1.776 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(OCCC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 809709362 QMYLKIRPPFDSPF-JOCHJYFZSA-N 421.538 1.923 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 810980916 HPSWBXBWTMKDQS-GOSISDBHSA-N 413.499 1.977 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1COc2ccc(F)cc2C1 811567279 SDYBEIUKBCTCJF-OAHLLOKOSA-N 417.462 1.764 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)Cc3ccc(CC#N)cc3)C2)n1 856589031 JQXWSNBUCHEMMF-IBGZPJMESA-N 404.492 1.597 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 918616899 NXSLDCYOYJXXFD-OLDCTRRGSA-N 418.475 1.849 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1 1083911815 JMRMTRJFGSOOEL-UHFFFAOYSA-N 414.451 1.752 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cn1 1084201963 PMAFITKDORYJBX-UHFFFAOYSA-N 400.472 1.341 30 10 HDEE COCCn1cc(C=NNc2nc(SCC(=O)Nc3cccnc3)n[nH]2)cn1 1084360327 XJYYOZISUKMPDR-UHFFFAOYSA-N 401.456 1.219 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O 1129157072 WRHBXSKQKYOCKS-HOTGVXAUSA-N 406.446 1.951 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCC1(N2CCOCC2)CCOCC1 1129670389 YHNREOHCXZXZGK-QGZVFWFLSA-N 424.542 1.571 30 10 HDEE C[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)c1ccccc1 1134275650 LCZAGEKGPSIKOX-DBVUQKKJSA-N 401.488 1.078 30 10 HDEE CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1134429131 PBEUMDGHSFFEPF-XAYKYTGQSA-N 407.517 1.522 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1 1136703378 NHLMQDQDGFCHHY-ZIAGYGMSSA-N 424.947 1.684 30 10 HDEE CCOC(=O)c1ccc(NC(=O)CSCCC(=O)N2CC[C@@](O)(CC#N)C2)cc1 1143190291 IUMNMTNGYBZPBR-FQEVSTJZSA-N 419.503 1.802 30 10 HDEE COc1ccc(Cl)cc1C[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1147517443 CWVPTDSNQIBCPU-ZDUSSCGKSA-N 416.865 1.964 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCN(O)C1=O 1159641234 HRVQGKRUAIFWMV-GWCFXTLKSA-N 419.297 1.355 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OC 1171469039 BOCWURVJIADPFN-NSHDSACASA-N 405.270 1.334 30 10 HDEE CCCN(C(=O)[C@H](C)N(C)C[C@H](O)c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 1171791780 PCWFAFSSZXJWQN-IPELMVKDSA-N 407.536 1.338 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1176069056 GKGHBSXSVBTVKP-INIZCTEOSA-N 403.527 1.521 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)C(=O)OC 1177959633 RWHXBAJCDBCJFS-AWEZNQCLSA-N 415.537 1.380 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 1224761494 IHZHSKLUTRETPH-SHTZXODSSA-N 403.545 1.970 30 10 HDEE C#C[C@@H](NC(=O)NCCCN1CCCS1(=O)=O)c1ccc(Br)cc1 1230499301 UDUYMJZRUATTCW-OAHLLOKOSA-N 414.325 1.848 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1251437315 LSMLDRPQPUGTRA-GOEBONIOSA-N 408.499 1.193 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1 1254382815 NHOZJPIURDMXSS-MAUKXSAKSA-N 400.460 1.664 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1264831976 QRKOPHPXZNOHNA-SFTDATJTSA-N 413.566 1.913 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1 1272408106 FDVZUBPVAFMGPM-UHFFFAOYSA-N 412.240 1.419 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286319137 FWEOYCUYUNEFSE-SFHVURJKSA-N 423.521 1.854 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H](C)c1nccs1 1286468813 KQDCYJYRWAPTEU-OAHLLOKOSA-N 402.524 1.747 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC=C(c2ccc(O)cc2)CC1 1286785566 GOYMIBYPTBUIOP-SFHVURJKSA-N 422.489 1.531 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCn2ccnc2C1 1288538088 JMJHAWYOJUPUNX-WBVHZDCISA-N 418.505 1.976 30 10 HDEE CC[C@@]1(C)CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1292366192 VQHKAGOULBEUPR-CILBIJLJSA-N 414.510 1.762 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1298757118 ZIGBNRCJTYQZFQ-UHFFFAOYSA-N 405.458 1.562 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1300348703 PFSUUSIDCZECGD-INIZCTEOSA-N 419.493 1.391 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1300547798 DDXMTLMMYHADLR-UHFFFAOYSA-N 400.504 1.591 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCCOC 1300802025 ZASOOOXJYJNUIO-HTAPYJJXSA-N 424.505 1.690 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300957297 RUVGDACYGYPYIA-GHTZIAJQSA-N 423.565 1.829 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C)C1 1300980769 NTKTXTLRHKGKDY-MRXNPFEDSA-N 410.482 1.739 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOC(C)(C)C2)CC1 1301108582 TYXRZVFBRCPIIV-UHFFFAOYSA-N 404.559 1.930 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1301478883 QTTSHYGPQMKXFV-QGZVFWFLSA-N 417.558 1.822 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCS(=O)(=O)CC1 1301531331 JLFNPJZYOCRGHW-UHFFFAOYSA-N 406.508 1.663 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301611368 BQILTBSVYPORFL-MSOLQXFVSA-N 407.584 1.860 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(F)CCC1 1301810074 SJFFCXCBYWRQHN-OAHLLOKOSA-N 413.519 1.829 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2Cl)CCO1 1303001505 BOJZDNQRMUYOAX-OAHLLOKOSA-N 400.870 1.945 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 1303026251 LSZGZQHBVIJKTR-GOSISDBHSA-N 404.532 1.773 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CCOC[C@@H]1C 1303384792 DGMILSJAVDDHDI-OXJNMPFZSA-N 403.531 1.267 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3O)CC2)C1 1304201123 VMELWXMEUWMZFI-UHFFFAOYSA-N 420.487 1.655 30 10 HDEE C=CCN(C)CCN(CC)CC(=O)N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1307729041 RDQOVBJLTYPGOV-UHFFFAOYSA-N 402.587 1.997 30 10 HDEE CS[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1N(C)C 1309320249 BPTBZLUZHLPVGW-STQMWFEESA-N 404.355 1.987 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)NC(C)(C)C)ccc2OC)C1 1310341521 BJODWWYNZJOUQW-HNNXBMFYSA-N 422.551 1.991 30 10 HDEE C=CCn1cc(CNC(=O)NCCNC(=O)c2cccc(Br)c2)nn1 1311829643 QJKDTVQQKYVYKJ-UHFFFAOYSA-N 407.272 1.456 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CCO1 1312482640 YPRUXEMLJLUKTF-OAQYLSRUSA-N 411.462 1.822 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1313681854 YWJSDOSWRJWCAU-RBUKOAKNSA-N 423.521 1.852 30 10 HDEE CN(C)C(=O)Cn1c(-c2cnccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1314639601 FTBHGZXSIPLAPW-UHFFFAOYSA-N 402.462 1.864 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1314935153 XFKJNKKCLLIGIN-JOCHJYFZSA-N 424.505 1.585 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1315182764 PDYJUJWRZQTMKV-FIXISWKDSA-N 404.368 1.639 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358871746 JYJBFAVMSKPODT-CABCVRRESA-N 405.524 1.541 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358915560 HVROOZVJTINXNB-INIZCTEOSA-N 407.540 1.217 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2CC1 1358920400 YGRIOALLMGUNGV-INIZCTEOSA-N 401.536 1.907 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358923212 GFLGCMQSTXILGT-INIZCTEOSA-N 412.519 1.700 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1358938685 HVPJXDJEDJFBGC-BEFAXECRSA-N 405.524 1.256 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358945077 SMLUKWYKDDHNQQ-UHFFFAOYSA-N 415.501 1.758 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1358947058 QEWPVZVKVJVCBV-HZPDHXFCSA-N 402.449 1.880 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1358964076 SSTZTAAAJNWKMM-KRWDZBQOSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1358969791 WYFLGDJDHGIMQU-AWEZNQCLSA-N 420.564 1.277 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCSC1 1358971497 YCYLIFLGMRPCIB-KRWDZBQOSA-N 420.336 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1CCOC[C@H]1OC 1358982769 KAFALRFEZYHMHG-GHTZIAJQSA-N 424.501 1.990 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCN1CCSCC1 1359013058 JNTXBLJCLOZEHU-UHFFFAOYSA-N 418.592 1.778 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCOCC1 1359024303 KHVCQDGYRBZBLY-VQTJNVASSA-N 419.570 1.963 30 10 HDEE C#CCSCCn1c(N(C)Cc2cnn(C)c2C)nnc1[C@@]1(OCC)CCOC1 1359061724 KTJLHFHPLFKNCP-HXUWFJFHSA-N 418.567 1.975 30 10 HDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1359127899 DFKDJJYKPBLFCK-OAHLLOKOSA-N 415.494 1.867 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1359142349 FYQQFPYTZNFDGL-RDBSUJKOSA-N 404.968 1.560 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCNC(=O)C2CCC2)C1 1359321489 HBCZZHVUYSWLHD-ZWKOTPCHSA-N 403.527 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1359327486 CNWCXLALVPZDPW-UHFFFAOYSA-N 423.461 1.082 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359330111 HIYGVTMHJZBHPF-WBVHZDCISA-N 405.524 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359330665 YPRCZZLXLYJOOW-WBVHZDCISA-N 405.524 1.802 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 1360790547 AWMIXYGDBQUBCQ-INIZCTEOSA-N 405.524 1.657 30 10 HDEE Cn1cc([C@]2(CNC(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CCCO2)cn1 1439901611 KCLZZUMPGVLSKI-HXUWFJFHSA-N 416.503 1.933 30 10 HDEE C[C@@H]1NC(=O)[C@H](C)N(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H]1C 1452699343 GOYGELPULQPYNG-KKUMJFAQSA-N 420.535 1.409 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CSc1nnnn1CC(F)(F)F 1452944844 BOIBIPNNAVGOBP-LBPRGKRZSA-N 400.386 1.391 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)c1cc[nH]n1 1455014221 SUUDNJOFVOZKRO-QGZVFWFLSA-N 413.478 1.393 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)cc1 1456835610 VIQSINWVOZHKMN-LJQANCHMSA-N 404.492 1.320 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N=[S@](C)(=O)N(C)C 1458877200 SYAVMPYLRBYJAJ-MHZLTWQESA-N 414.601 1.686 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1459305773 CSBVIIXEZZAJNX-HNNXBMFYSA-N 416.459 1.726 30 10 HDEE N#CCC1(CNC(=O)c2ccc(I)cc2-n2cnnn2)CC1 1459710265 KUKZDMPDVCKDNK-UHFFFAOYSA-N 408.203 1.691 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Br)ccc1OCCOCC 1463858149 GVBWCLVYHULIBK-AWEZNQCLSA-N 418.309 1.887 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)CC1 1467095519 VVDJZAYXXLGQFH-MUUNZHRXSA-N 406.508 1.783 30 10 HDEE C=CCn1cc(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)nn1 1470583555 CVOVWRUYQFGOIF-OAQYLSRUSA-N 410.478 1.177 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(CC#N)n2)C1 1471516374 CIESZNRYKXUYPP-CQSZACIVSA-N 402.480 1.527 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)NCC2(C#N)CCOCC2)CC1 1471570407 CQGWCFGDPWKVTN-UHFFFAOYSA-N 415.560 1.001 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)C1 1475667310 DPSZIFUTBINBIV-CQSZACIVSA-N 403.426 1.355 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(OCC(=O)NCC)c1 1478088933 HBHVDVLLAKUSEN-UHFFFAOYSA-N 403.479 1.688 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccnc(-c4ccccn4)n3)CC2)c1C#N 1479186266 MBGKBMWTIGMGFU-UHFFFAOYSA-N 417.477 1.484 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1503227892 HPBGGWKANUKUOL-SFHVURJKSA-N 422.493 1.625 30 10 HDEE COCCOCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1505043701 GGFRFJVMXHUCMG-MOPGFXCFSA-N 418.542 1.749 30 10 HDEE COCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505056400 WFWICQSJWSYWNH-ZWKOTPCHSA-N 404.515 1.359 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC[S@@](=O)CC 1507673525 WPVQLSDUVMRQLV-LJAQVGFWSA-N 409.515 1.960 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(OC)CCCCC2)CC1 1507716419 QTHHUHOQGZVWSU-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@]2(C)CN(C)C2=O)CC1 1507734398 LMJPOEHLODDTEJ-QFIPXVFZSA-N 424.505 1.291 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC(C)(C)O)CC1 1507738904 HNSQOHFXAXMCRK-QGZVFWFLSA-N 403.527 1.647 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@H](CC)C1 1508132223 WCBZFDBZTIVBNI-CQSZACIVSA-N 415.585 1.349 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C(=O)OC)C1 1508141853 PIKFSUYJFARURP-GJZGRUSLSA-N 412.512 1.120 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCCn2cc(CO)nn2)C1 1521062416 CLBMBZLJULQMBH-MAUKXSAKSA-N 404.450 1.136 30 10 HDEE Cc1cnc2nc(C(=O)Nc3ccc(S(=O)(=O)/N=C4/CCCN4C)cc3)nn2c1 1525818670 CECXPDPGWRROEH-HAHDFKILSA-N 413.463 1.498 30 10 HDEE CCC1CCC2(CC1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1527645474 KOKZIPVHFLYQAR-UHFFFAOYSA-N 409.446 1.734 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CCOCC1 1533501654 ZWNVLKVNZIFGSG-QINHECLXSA-N 420.531 1.643 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1536180150 QCFMGZZKOCUQAE-ZLWPENISSA-N 402.472 1.670 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@H]3CNC(=O)C[C@@H]3C(F)(F)F)CC2)c1 1537813475 GJLKRLGKAZBKDJ-IRXDYDNUSA-N 408.424 1.953 30 10 HDEE Cn1cc(C(=O)N[C@H](CC#N)C(F)(F)F)c(CN2C(=O)c3ccccc3C2=O)n1 1538301583 DFVWYRFNGQMWKG-CQSZACIVSA-N 405.336 1.791 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H](c3ncccn3)C3CC3)C2=O)cc1 1538358161 SWUIRBGLYRHHBQ-AEFFLSMTSA-N 404.430 1.821 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccc(OC)cc1)C1CC1)c1cc[nH]n1 1538377104 ZBYRYOLOGNSQHM-SFHVURJKSA-N 400.435 1.970 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539045011 OILRSDQEVVRTTD-CVEARBPZSA-N 423.477 1.664 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1539141269 FCFZFFDZHIUNKB-CSODHUTKSA-N 401.511 1.401 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1539210767 GHVPTCHSNBSRIG-MRXNPFEDSA-N 402.520 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1539318015 KTUUHQUIKMSQNL-NRFANRHFSA-N 416.529 1.750 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@](C)(O)c1ccsc1 1539408963 JLTHKWWPIZAFCB-IBGZPJMESA-N 400.508 1.734 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(F)c(COC)c2)CC1 1539461176 AYVDETTUYMQWNK-UHFFFAOYSA-N 401.486 1.904 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cccnn2)CC1 1540033596 MLMFGXAHPPVEED-UHFFFAOYSA-N 407.482 1.444 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(S(N)(=O)=O)ccc2OC)c1 1540583959 OBGDAKYMMSWVKF-UHFFFAOYSA-N 422.484 1.392 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(O)cc1 1541927301 HWVMUCGYDHPTGY-ACJLOTCBSA-N 422.486 1.279 30 10 HDEE Cc1occc(=O)c1OCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1543521101 RVQOOGNSFXWVPY-UHFFFAOYSA-N 407.430 1.716 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 1545716304 MTASSOVUEAVMOB-GOSISDBHSA-N 415.490 1.983 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1546579046 DSODQWKMHGGGEI-JXFKEZNVSA-N 412.519 1.400 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](CO)O1 1554162809 HMNYINOMQFNTHM-ZWKOTPCHSA-N 405.462 1.783 30 10 HDEE C=CCOC[C@H](NC(=O)C[C@@H]1CSCCN1C(=O)OC(C)(C)C)C(=O)OC 1556375626 OEGWUFFHRBUKHI-KGLIPLIRSA-N 402.513 1.589 30 10 HDEE C#CC[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(C)C)C(=O)OC 1556971031 OYOYLWQRVRAMEL-RBUKOAKNSA-N 416.499 1.824 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](OC1CCCC1)C(F)(F)F)c1cc[nH]n1 1557412057 YMQQPQUNTAKOKG-CYBMUJFWSA-N 420.388 1.700 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 1562537431 HPEVPQMWGJGHBP-UHFFFAOYSA-N 423.886 1.011 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCOc1ccc(Cl)c(F)c1)c1cc[nH]n1 1569140450 VSFFURNQYFGDME-UHFFFAOYSA-N 412.805 1.681 30 10 HDEE CC(C)(C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(C#N)cc1 1584563893 IVGAQYJTYCZERQ-UHFFFAOYSA-N 406.490 1.481 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1587638968 IHLMHAWEVYCIMO-CZUORRHYSA-N 423.564 1.487 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCS(C)(=O)=O)c1 1587697775 XGZWCQLADXXESQ-UHFFFAOYSA-N 415.519 1.331 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@@H](C)O[C@H](C)C1 1588024879 PGQVLRNCJYHYNW-YRXWBPOGSA-N 405.543 1.571 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588073629 AYSQEMKKZJYZGI-IAGOWNOFSA-N 422.551 1.452 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1588314859 SMTSARTYYYLBRU-UXHICEINSA-N 422.533 1.762 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@]1(OCC)CCOC1 1594774299 JJAZEJUVTACXQS-FQEVSTJZSA-N 407.515 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](COC(C)C)C1 1595523116 PXABAKGWXNHLBD-MRXNPFEDSA-N 402.499 1.216 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2CCCN2C(=O)NC3(CCCC3)C2=O)C1 1595681507 SBKXAYNABQOWBB-INIZCTEOSA-N 402.499 1.623 30 10 HDEE COc1cc(CCO)ccc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1618432934 FPNIZIOLQCOVPB-GOSISDBHSA-N 422.441 1.945 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1620077037 CGJKAPCTZOEKIL-SFHVURJKSA-N 410.478 1.291 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cnccn2)n1CC1CCS(=O)(=O)CC1 1620358232 HDJSSQOVDYRDJR-UHFFFAOYSA-N 415.523 1.690 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@@H](O)CN2CCC3(CC2)CC(=O)C=CO3)CCC1 1620625780 BNGSQPHYMNQVNF-INIZCTEOSA-N 400.541 1.326 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc32)c1 1624819540 QZKXBSNVWUNZQQ-GFCCVEGCSA-N 422.459 1.424 30 10 HDEE CCN(Cc1cccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1)C(=O)C(F)(F)F 1626714290 CODZJJXGHLDQIN-UHFFFAOYSA-N 423.351 1.370 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1628796526 DVGJIQOLFSUXKO-ZDUSSCGKSA-N 404.423 1.342 30 10 HDEE C=CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1629172591 KAQPQNJAZLUWIM-UHFFFAOYSA-N 421.906 1.932 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 1629319354 MPFJPNRUDJVSSI-HXUWFJFHSA-N 400.523 1.599 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)c2nc(N)nc(N3CCOCC3)n2)C(F)(F)F)c1 1632875927 ALJWAIHLPQHLRT-GFCCVEGCSA-N 407.356 1.195 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(=O)OC)c(OC)c2)cc1 1636337848 LGJYJFNHGKESMB-UHFFFAOYSA-N 416.455 1.323 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cnn1CCC#N 1637266055 GCCQVRLUERCIKH-QGZVFWFLSA-N 416.526 1.872 30 10 HDEE COc1ccc([C@H]2CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)cc1OC 1637569616 QUPWAAMTBVTFCN-HXUWFJFHSA-N 409.442 1.905 30 10 HDEE C[C@H](CC(=O)NCCCNC1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1638377361 PHLVTTRMPRHVMO-OAHLLOKOSA-N 406.552 1.932 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2nsc3ccccc23)c1 1638958180 KJBZZIRIAVWQRK-UHFFFAOYSA-N 400.485 1.805 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)OC 1639559134 UPBFFENHIMHCEC-CZUORRHYSA-N 405.838 1.425 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2ccn(CCCNC(=O)OC(C)(C)C)n2)C1=O 1639595031 ZQPBBACEXFPXPC-MRXNPFEDSA-N 405.499 1.657 30 10 HDEE N#Cc1ccc(OCC(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1Br 1640182933 GXBRMTOFCBBSBF-ZDUSSCGKSA-N 406.240 1.986 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC3(CCN(Cc4ccccc4)CC3)C2)c(=O)nc1O 1641470098 BUSHDFUUHCSTFE-UHFFFAOYSA-N 421.501 1.725 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)NCc3ccccc3)CC2)c(C#N)cc1[N+](=O)[O-] 1642902614 ZBAKCVBLFJHXMX-UHFFFAOYSA-N 415.475 1.932 30 10 HDEE C[C@]12CN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C[C@]1(C)C(=O)NC2=O 1644116582 NDFCCFFIRJSFGW-RTBURBONSA-N 407.392 1.158 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636539 FSJJLIOAUSXSNA-VCBZYWHSSA-N 418.544 1.747 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](Cn3ccnn3)C2)CC1 1647729268 WNMKUDGQCWFOSE-XLIONFOSSA-N 411.485 1.148 30 10 HDEE N#CC1(NC(=O)CN2CCC(n3nncc3I)CC2)CCC1 1647762595 RWGFDEHEHFMBPB-UHFFFAOYSA-N 414.251 1.082 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3csc(NC4CCCCC4)n3)C2)c(=O)nc1O 1648029133 YPMHFUWICJXYRG-UHFFFAOYSA-N 400.464 1.719 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1652045210 GZXGLGPMSWDPMV-UHFFFAOYSA-N 421.519 1.664 30 10 HDEE Cc1ccc(N(C(=O)Cn2cc([N+](=O)[O-])c(C#N)n2)[C@H]2C=CS(=O)(=O)C2)cc1C 1652117589 KWEYACQQVXPSHA-HNNXBMFYSA-N 415.431 1.624 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CCN(C)C)c2cccnc2)c1 1652290344 YCVAHFMQYAEJLW-IBGZPJMESA-N 402.520 1.969 30 10 HDEE CN1CCN(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1654836964 QDWVLTSDKBSZNE-AOOOYVTPSA-N 409.321 1.863 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)C[C@H](O)c1cccc(C#N)c1 1654984083 FKCBYGPSLSUJDD-ACJLOTCBSA-N 402.476 1.198 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@]2(C(=O)OC(C)(C)C)CCOC2)c1 1664912573 POCUOTSYKVMYPK-LJQANCHMSA-N 410.492 1.382 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)[C@H]1CCS(=O)(=O)C1 1669134552 JTMQTQZLKYIIAH-KRWDZBQOSA-N 419.503 1.266 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cn1 1672353044 MPWIJOXKWCOOKG-JRPNMDOOSA-N 413.297 1.485 30 10 HDEE C=C(C)CN1CCC(NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1678370527 PLSREVUCQRCXIL-GOSISDBHSA-N 415.604 1.281 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(O)CCC(F)(F)CC3)C2=O)cc1 1682022097 SRHIIFNKAFDKSE-MRXNPFEDSA-N 406.433 1.899 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1689907612 FMVFLLIUMDYACB-XGHQBKJUSA-N 417.510 1.837 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1689953870 CIDYYTMKWWAXMR-HNNXBMFYSA-N 407.482 1.295 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1690077562 RHOYVVUSQDEIQJ-HOTGVXAUSA-N 416.503 1.480 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2nc(C)c(C)s2)CC1 1690124957 XLIXMGVXFCYZCA-QGZVFWFLSA-N 400.552 1.853 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCO[C@@H]1C(=C)C 1690189910 GEKFUFCKSZJCPB-MIALQEHNSA-N 421.567 1.862 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCC(C(N)=O)CC1 1690249745 ABENZWTVJNJNKR-UYAOXDASSA-N 410.522 1.947 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1690639497 SZBAWVYBKLIURU-UHFFFAOYSA-N 407.453 1.952 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(C#N)c2)C1 1696875412 DUNQZBBSVQWKLG-JOCHJYFZSA-N 403.490 1.915 30 10 HDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1698431546 SUXYYCCIWRLLNC-SFHVURJKSA-N 414.535 1.911 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1705544531 UIMSJGLFTCQSNJ-UHFFFAOYSA-N 400.302 1.540 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC[C@H](O)C1 1705550864 ZPINUSHXXCULOO-HOTGVXAUSA-N 416.551 1.859 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1705561574 RGSDTGDKLFDOLZ-CQSZACIVSA-N 412.437 1.873 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CC(OCC)C1 1705584411 JPITWPHANHXOIL-UHFFFAOYSA-N 418.501 1.519 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnc(C)s2)CC1 1705635356 WTOUTVMBMKBOTR-HNNXBMFYSA-N 404.540 1.571 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1705652914 RVNLRYVOMLQGKH-UHFFFAOYSA-N 420.583 1.525 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705657814 RWOXECXHRSFEOH-HNNXBMFYSA-N 422.580 1.168 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)[C@@H](C)CC 1705844038 UTIBLNURNZVZKJ-RLFYNMQTSA-N 415.560 1.030 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1705907572 QOWISWNCFNYYJQ-QZTJIDSGSA-N 414.558 1.361 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@H]2C)C1 1705928880 IOCAHHVCARKWMN-KZNAEPCWSA-N 403.527 1.854 30 10 HDEE CC1(C)COCCN1CCn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1706957145 HOEDAAXIHYSPIH-KRWDZBQOSA-N 416.551 1.770 30 10 HDEE CCn1cccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)c1=O 1710190069 HZXUERCCUXCXHA-LJQANCHMSA-N 415.457 1.775 30 10 HDEE C=CCC1(C(=O)NC[C@H]2[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@H]23)CCOCC1 1718340805 JZJLZCJGIPATOZ-GYDLCOFYSA-N 400.519 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722280022 DNSDRDJRNOKUFQ-CQSZACIVSA-N 418.519 1.997 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722324321 PEBSPDGCFNZQAE-JKSUJKDBSA-N 419.555 1.104 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1722438813 CXMIXNCDBQINPW-ICSRJNTNSA-N 410.522 1.071 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1722451824 ORINUSKXEFAJAR-CABCVRRESA-N 415.585 1.116 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722453078 OHKMKJQMHNJTBR-CQSZACIVSA-N 419.511 1.052 30 10 HDEE C=C(Br)Cn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722487389 PECOPWJHXYGEPD-ZDUSSCGKSA-N 423.315 1.612 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)CC1 1722505988 SSONUTVAFMHUMA-FXAWDEMLSA-N 416.526 1.050 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1722510054 RLSPBGNDLPDARW-IKGGRYGDSA-N 412.556 1.634 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O 1722511846 NMXYHJJCPFLOAE-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@@H]2C)CC1 1722571778 HMZPIIUJFMPSOW-FHWLQOOXSA-N 405.543 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCS[C@H](C)C1 1722725508 PMDMKSYGZSGKNF-CQSZACIVSA-N 413.569 1.057 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1722917665 FUDMDUMUJKPOSD-KRWDZBQOSA-N 411.510 1.584 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)cc1C 1724437803 HDJKVBDUNMPEAP-IBGZPJMESA-N 415.494 1.602 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC#N)CCCO1 1726732905 AHSJIKWOFXWBNB-SJORKVTESA-N 400.531 1.918 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCN1CCC(O)CC1 1727605800 GTZAOCIAGIIJHG-UHFFFAOYSA-N 424.553 1.281 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCC2(C1)OCCO2 1730760824 BMJYRDXXJGXXSL-INIZCTEOSA-N 413.482 1.645 30 10 HDEE COCCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C[C@H]1C 1730801791 MSWOKVQTFGGJGA-CRAIPNDOSA-N 400.483 1.799 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccco1 1730946623 QDETYSGXILDFIC-QTLCSOKXSA-N 419.457 1.945 30 10 HDEE CSC1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCC1 1731067242 BDZAXWPBOOJROD-UHFFFAOYSA-N 412.519 1.951 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1740531588 OXFMYLKLJQTJNT-CSODHUTKSA-N 401.511 1.700 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCc1ccccc1 1740534020 WFYRHIWFSTWGLG-JKSUJKDBSA-N 405.524 1.563 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1740566583 IEOCEWRTMOVJCZ-UHFFFAOYSA-N 424.509 1.580 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1740574335 HFNPFFCOMUJHLK-GOSISDBHSA-N 416.551 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)NC(C)C 1740602823 WLGVLBCUQGPWFB-UHFFFAOYSA-N 421.523 1.360 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H]1COCCO1 1740609285 IOFPEWVHBBMBDY-KRWDZBQOSA-N 419.526 1.877 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740628511 YLGKYQPUHPUAHW-ROUUACIJSA-N 407.584 1.588 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C)CC(F)(F)F 1740678978 WOQUWKFXSSOLJH-UHFFFAOYSA-N 416.448 1.094 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)coc1C 1740680384 ZSRBLCPOXRYJET-CQSZACIVSA-N 409.512 1.232 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(Cn2cccn2)CC1 1740957705 YAWHHKHNBSIYHO-UHFFFAOYSA-N 406.494 1.755 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1742001750 FWNACWVDGMSXEU-JKSUJKDBSA-N 407.540 1.735 30 10 HDEE CCc1noc(C)c1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1744746081 ZSCVNHTUJTUXAT-MPGHIAIKSA-N 416.482 1.638 30 10 HDEE CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1747358461 QNENSXGHOAJYCN-INIZCTEOSA-N 419.493 1.753 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1)[C@H]1CCOC1 1747623468 JBICLEJQMMLTBS-SFHVURJKSA-N 408.466 1.216 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NCCC 1749055442 JRVZCYYDCCJOPG-NHCUHLMSSA-N 403.527 1.839 30 10 HDEE COCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1749273345 IFOKXLQXVJHOSO-RDTXWAMCSA-N 412.560 1.691 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749595875 LWQHDKDZTRTHKF-MRXNPFEDSA-N 420.539 1.260 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749630578 ZLSGTCCUTPBZHN-CYBMUJFWSA-N 411.478 1.851 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ncc(Cl)n1C 1749669002 BJBYLVFFUTZWFG-ZDUSSCGKSA-N 407.906 1.498 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749677330 WAUCBRWOBOUWTI-UHFFFAOYSA-N 414.554 1.762 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncn(C)n2)C1 1749701550 WHBZPGIYCHOPNE-AWEZNQCLSA-N 400.874 1.952 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C2CC2)C1 1749712973 ODCKIQOFWXAINC-FUHWJXTLSA-N 423.583 1.446 30 10 HDEE CSCc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1750286117 AEHLTTYCDVDZEH-IAGOWNOFSA-N 412.519 1.869 30 10 HDEE Cc1ccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1751499428 CXDIJWXXIDSJMI-KXBFYZLASA-N 420.514 1.881 30 10 HDEE Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)c(=O)n1C 1751518743 IEFFXSVFMSBXMY-KRWDZBQOSA-N 409.494 1.415 30 10 HDEE C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCCO1 1752355506 UHMQJXCQZWJFIQ-UONOGXRCSA-N 405.480 1.308 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(N)=O)C1 1760133685 MQTLVNPCKYGCKO-INIZCTEOSA-N 405.466 1.036 30 10 HDEE C#CCCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760159680 MNMIUOAIVMONMM-UTKZUKDTSA-N 403.527 1.789 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCC(C)C 1760205653 GYDAEETUVMLSHI-YLJYHZDGSA-N 406.552 1.440 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCC1=O 1760208600 GMKAVLQVLKYQAK-UHFFFAOYSA-N 410.522 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1760217118 PNVRJVFNTQCQGW-KNQAVFIVSA-N 408.506 1.870 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1760228241 YYYRKZSENAAIJW-HXUWFJFHSA-N 401.515 1.540 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1760335213 MJRIINNQYAHVKY-XIRDDKMYSA-N 400.483 1.206 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760347059 ZZSDVFWMNWFLBT-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1760361196 GWMIOTATRZGVMG-RTWAWAEBSA-N 422.526 1.519 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C(N)=O)nc2)C1 1760541660 GAUMVWWLRSIJMP-IAGOWNOFSA-N 412.494 1.496 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)[C@H](C)C1 1760609465 OQPWQXZPFJJNFM-UIAACRFSSA-N 424.505 1.414 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(OC)nc1 1763201025 FCJKWRJKWWCDFF-GOSISDBHSA-N 417.473 1.983 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763657419 RSWLVBSJDZOZMA-BFNIYCKOSA-N 414.510 1.935 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2Cc2ccc(C#N)o2)CCO1 1767706674 ABOQADBVCRUYNM-GOSISDBHSA-N 422.445 1.418 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nccnc1C 1770202110 NRJLEHBFWVRACZ-KNBMTAEXSA-N 415.473 1.785 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1)OC 1770778652 BHUNVTBTZSMGLI-FUHWJXTLSA-N 401.467 1.615 30 10 HDEE N#Cc1cnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Br)c1 1851683636 QCTJCQXVRNSVDB-LLVKDONJSA-N 413.297 1.858 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CC2 1852612054 AJRFQKWMYVBOKK-OAHLLOKOSA-N 411.893 1.759 30 10 HDEE COC1CCN(C2CN(C[C@H]3CCC(=O)N(C(=O)c4ccc(C#N)cc4)C3)C2)CC1 1853794021 YGZUADKSHUUNCL-GOSISDBHSA-N 410.518 1.732 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ncoc2C2CCCC2)C1=O)[C@@H]1CCN(C)C1=O 1854161095 RHGCGIJRFLEHCQ-CVEARBPZSA-N 400.479 1.792 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3ccnc(Cl)c3)C2=O)C1 1854290452 IJVMZQKUHIAFRC-INIZCTEOSA-N 411.849 1.896 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(C[C@@H]4COCCO4)CC3)CC2=O)cc1C#N 1854472689 BKTDRTMGSWIKHQ-NHCUHLMSSA-N 411.502 1.983 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)[C@@H](C2CCOCC2)C1 1855099654 XSANMDSXTKFARB-NHCUHLMSSA-N 410.518 1.732 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855164279 XLTYBDXGXAEAEW-IRXDYDNUSA-N 416.547 1.773 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)CC2=O)c1 1855389335 ZQPDFOBINNMFKG-AWEZNQCLSA-N 409.895 1.125 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC(S(=O)(=O)Cc3ccccc3)CC2)C1=O 1855786244 FFDFHMBSWCFZLM-LJQANCHMSA-N 417.531 1.887 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3C(C)(C)CC(=O)CC3(C)C)C2=O)CC1=O 1855866241 NNHRILZELDGXRH-RDJZCZTQSA-N 403.523 1.761 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CN1CCCCC1 1855988359 VPSFGDZOWDULHW-UHFFFAOYSA-N 404.492 1.122 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3cccnc3O[C@@H]3CCOC3)C2)CC1 1856148911 BWYRGMNHECZIQO-QZTJIDSGSA-N 412.490 1.864 30 10 HDEE Cc1ccccc1C(=O)N1C[C@@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856234025 USXMTIFGXFROAZ-MRXNPFEDSA-N 404.474 1.466 30 10 HDEE COc1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)c(OC)c1 1856322246 OGYHNMDSMUOSRU-UHFFFAOYSA-N 409.442 1.939 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ncccc3Br)C(=O)C2)C1 1856871647 APORHXAAIHQWMD-CQSZACIVSA-N 407.312 1.779 30 10 HDEE C[C@@H](C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1857206729 GXYQOOWXYIQUEC-RDJZCZTQSA-N 411.506 1.682 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)c(F)c2)C1)[C@H]1CCN(C)C1=O 1857265131 SWVJMUIJEWNRMM-YOEHRIQHSA-N 403.454 1.542 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(OCC)cc2)C1)[C@@H]1CCN(C)C1=O 1857265311 UWVNTPHXLVETSC-UYAOXDASSA-N 413.518 1.722 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CC(F)(F)C3)C2)CC1 1857412702 QOROCQRMAMIISR-HNNXBMFYSA-N 417.460 1.886 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC[C@@H](Oc4ncc(F)cn4)C3)C2=O)c1 1857441714 BCDVGLZNXHRCCP-MSOLQXFVSA-N 409.421 1.772 30 10 HDEE CCN(CC)CCNC(=O)[C@@H](N=C1NS(=O)(=O)c2ccccc21)c1ccccc1 1869933528 IJXJEKGALUPKJW-IBGZPJMESA-N 414.531 1.924 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)NCc1ccc(OC)cc1 1872630207 QDNNQEWPRSPIGL-UHFFFAOYSA-N 400.435 1.517 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)cc(-n2cccn2)n1 1890074155 OQUQFUMNZFDPEJ-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)nc2n1 1891146852 JTOSCTVPDRIEMT-UHFFFAOYSA-N 404.478 1.996 30 10 HDEE CC#CCN(CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1900624219 IFJSYMRIXKUAPW-QHCPKHFHSA-N 415.534 2.000 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985101591 UZORZBUIWNVXLU-MGPQQGTHSA-N 410.320 1.813 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1ncc(Br)n1 2010385869 YNOCCWNQRJDEAE-NSHDSACASA-N 400.277 1.464 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)c1ccc(C#N)s1 2118166353 DVXGWAUIZJNCRP-YRGRVCCFSA-N 401.510 1.969 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1O 2172855267 VMEMOBWQIYVTAQ-KFWWJZLASA-N 401.529 1.654 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174789002 LKTRFAOKMUILCB-IYJVBRSBSA-N 420.557 1.479 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC(F)(F)C[C@H]1CC(=O)O)C(F)(F)F 2200614475 KKGKSNWONZFSRD-ANLVUFKYSA-N 400.222 1.697 30 10 HDEE CCS(=O)(=O)CNC(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1 2233880617 YEOLDHSXEFXJHH-UHFFFAOYSA-N 402.347 1.581 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836984 LGBVYVUXQSAMQI-OCCSQVGLSA-N 418.303 1.419 30 10 HDEE C[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)COCc1ccccc1 2247921046 IOZIJLALNCYVLG-HNNXBMFYSA-N 414.315 1.697 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2247926743 WOVZFCQNMYOXFK-OLZOCXBDSA-N 422.287 1.289 30 10 HDEE C#CCCN(C1CCC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258157973 HTUVATHEBXRSCS-QGZVFWFLSA-N 408.476 1.574 30 10 HDEE CCNC(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354040 OIRUPHAYKINVMO-UHFFFAOYSA-N 408.738 1.115 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@H](C#N)CC1)NC(=O)OCc1ccccc1 2270532559 XLRNYMPJWGBIOJ-DOTOQJQBSA-N 423.491 1.410 30 10 HDEE Cc1cnc(C(=O)N2CCC(C3OCCO3)CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2281952667 ZLERPDOTNFBQOL-UHFFFAOYSA-N 402.300 1.914 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3ncno3)cc2Cl)OC1(C)C 2282310434 TXVYYBDKNVOYAX-UHFFFAOYSA-N 419.721 1.605 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCN[C@H]4C[C@H]43)cc2Cl)OC1(C)C 2282317596 TXOYYPPCKGVCDT-WCQGTBRESA-N 418.777 1.729 30 10 HDEE CCNC1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282330497 AGAKFRZEUPHGDP-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@H]1[C@H](N)[C@H](C)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282331934 UAYTZXKKPLEXQQ-TYNCELHUSA-N 400.375 1.794 30 10 HDEE CC1(N)CCC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282353247 GEYPEQCTYQYJEF-UHFFFAOYSA-N 400.375 1.986 30 10 HDEE CN[C@@H]1CCN(S(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282490339 HXSOZCVZGXJRDN-CYBMUJFWSA-N 400.375 1.647 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H](N)C3CC3)ccc2Cl)OC1(C)C 2282492703 SHZYUZUEINOALP-OAHLLOKOSA-N 400.737 1.655 30 10 HDEE Cn1nc(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)c(Cl)c1Cl 2282581212 FDIFSSYDAUHILX-UHFFFAOYSA-N 400.075 1.679 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)N1CCC1 2282832206 LIFSJMBMOWLNFT-LBPRGKRZSA-N 400.375 1.728 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@]1(Cl)CC1(F)F 2282853663 HAZSJMIJEOXWDU-CYBMUJFWSA-N 411.667 1.014 30 10 HDEE COCC(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)COC 2282863136 NMXJSJBPPGQOGM-UHFFFAOYSA-N 405.347 1.235 30 10 HDEE C[C@@H](N)[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282870453 SGIVLSXKWWTSGT-CHWSQXEVSA-N 400.375 1.546 30 10 HDEE CC[C@H]1CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282880630 LPWWKALDNDYDIG-STQMWFEESA-N 400.375 1.856 30 10 HDEE Cc1ccc(CNS(=O)(=O)C2CC3(C2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2296212848 ZWDSXZGGUHXCNY-UHFFFAOYSA-N 423.340 1.619 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c(C)n1 2296620593 MFPRPHKWIPSGBG-LJQANCHMSA-N 423.473 1.242 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCN1Cc1ccccc1 2300226347 DASRBFDVDAADEP-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CC1 2319409638 WPDIFRRZWPFLRU-QGZVFWFLSA-N 406.504 1.058 30 10 HDEE COc1cc(C=CC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 2325558955 XVGMEZNMZLIACD-UHFFFAOYSA-N 420.443 1.581 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1OC(C)C 2330772829 YFYNRSIWNUAQLB-UHFFFAOYSA-N 405.480 1.849 30 10 HDEE C#C[C@@]1(O)CCCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338829790 RMNORZFZVKSEII-OAQYLSRUSA-N 418.515 1.633 30 10 HDEE CN[C@@H](C#CC1(OC)CCOCC1)C1(O)CCN(C(=O)OCc2ccccc2)CC1 2363813081 UQCDELSYSLHOTD-FQEVSTJZSA-N 416.518 1.937 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2365199367 NLFXYNBHTCKNJN-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)COC1CCN(C(=O)OC(C)(C)C)CC1 2365210301 YFDOCTAFRFPEDX-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367796412 ILGYOAFLHMINJX-ZDUSSCGKSA-N 403.497 1.730 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](O)(CC)[C@H](C)NC(=O)OC(C)(C)C 2367814418 AYMJJKGVZHPSBR-QMTMVMCOSA-N 402.557 1.599 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@](CNC(=O)OC(C)(C)C)(C(=O)O)C(C)C 2375782751 WABCKIYYTVSSNE-KSSFIOAISA-N 404.529 1.666 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)CC)CC3)cc2C1=O 42808676 BQAGWGJQOHFXBC-UHFFFAOYSA-N 405.476 1.013 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(N/N=C/c3ccncc3)n2)o1 59879897 LAEZJWCOCDPWMZ-FBCYGCLPSA-N 401.456 1.561 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@H]1/C=C/c1ccccc1 72443881 ONYIBFDOIKZNMM-BUWFCSEKSA-N 418.457 1.360 30 10 HDEE CC(=O)Nc1ccc(C#CCNC(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)cc1 96350063 NWJQWHGINTVUIS-KRWDZBQOSA-N 422.510 1.895 30 10 HDEE C=CCN1C(=O)C(c2ccc(OC)cc2)=C(N2CCN(c3ncccn3)CC2)C1=O 170029985 GBSSUMQSBUAUIP-UHFFFAOYSA-N 405.458 1.573 30 10 HDEE CCCCCCCn1c(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nc2ccccc21 256022177 LENMHLSEYMSDHU-SPOLIRPYSA-N 410.536 1.899 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)C2CCN(c3cnccn3)CC2)c1 433460089 NWXIHGYILNZTBC-UHFFFAOYSA-N 415.519 1.682 30 10 HDEE CNC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 435942443 OFAULSRTBCOPFW-KDOFPFPSSA-N 414.487 1.219 30 10 HDEE COc1cc(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1C#N 462470599 DLACACPLFKCYRM-UHFFFAOYSA-N 413.522 1.653 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)NCCN1CCN(C(=O)C2CCC2)CC1 463753820 HDBPUMQWHKZSGT-UHFFFAOYSA-N 401.507 1.934 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)NC[C@H]1CCCCN1S(C)(=O)=O 480364000 HVRLXRPRGDYEPA-OAHLLOKOSA-N 410.496 1.519 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2ccsc2)C1 482804410 ZTVSEZNGGLMFFP-SUMWQHHRSA-N 405.501 1.887 30 10 HDEE Cn1nccc1C1=CCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)CC1 511071664 AFSRWCKBCIVLMT-IBGZPJMESA-N 410.547 1.980 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2nc3cccc(C)c3[nH]2)cnc2c1c(=O)n(C)c(=O)n2C 533152310 QDBNADBWLTVPEI-ZDUSSCGKSA-N 416.441 1.869 30 10 HDEE CNS(=O)(=O)[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541100093 BFZBITAAGSKFOK-ZDUSSCGKSA-N 408.871 1.553 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)nn1-c1cccc(C#N)c1 542154838 ONKOSEQSQGZIPN-GOSISDBHSA-N 417.473 1.707 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 558204743 BYMJGWHVLTZVAC-QAPCUYQASA-N 411.462 1.828 30 10 HDEE CC(C)(C)n1cc(C#N)cc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 559136772 ZHLGOKYXSGIBTQ-UHFFFAOYSA-N 402.499 1.123 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)c1 568923955 KDDAKCFXWCJRJF-GOSISDBHSA-N 412.471 1.148 30 10 HDEE C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C[C@@H](C)S1(=O)=O 571605874 YBRMJQKHKODESV-VXGBXAGGSA-N 407.883 2.437 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)CC1 584312756 MOYHHWQZOWJTAX-UHFFFAOYSA-N 406.398 1.274 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)c1 610151514 VCMKJOMLKZBBCN-UHFFFAOYSA-N 419.482 1.675 30 10 HDEE C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H]1F 611501403 BKWMZDHPSXBCGL-DOTOQJQBSA-N 408.499 1.071 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2C[C@H](O)CC(F)(F)C2)CC1 615821099 GHNVNIMVKCMEHO-CYBMUJFWSA-N 421.404 1.157 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCCN2CCCS2(=O)=O)ccc1C(F)(F)F 619709137 MNUPWPMAUQHUDM-UHFFFAOYSA-N 411.427 1.281 30 10 HDEE C#CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@@H]1CCS(=O)(=O)C1 729334680 AUZHRCKUYSIYCE-CQSZACIVSA-N 405.457 1.981 30 10 HDEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732766138 PCWXGANHUFAGBE-OALUTQOASA-N 400.548 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCCOc2ccc(C#N)cc2)C(=O)C1 741971433 JWBFFBGLHSUDDC-UHFFFAOYSA-N 402.451 1.133 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)COC(=O)[C@H]2CCC[C@@H]2O)CC1 745332656 VPFWURNAGDHQTL-ZFWWWQNUSA-N 414.418 1.159 30 10 HDEE Cc1cc(N)cc(C)c1C=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 752734781 RFTAJAGOKVJCCM-UHFFFAOYSA-N 402.524 1.663 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C1CC1 765186473 WDJYZROBMBMBOV-LLVKDONJSA-N 415.269 1.718 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)/C=C/C(=O)Nc2ccc3n[nH]cc3c2)CC1 778557809 UAUGHKYBCVNQSB-AATRIKPKSA-N 401.430 1.673 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 780640574 WRFAOUXZWRSHQM-QGZVFWFLSA-N 406.527 1.947 30 10 HDEE COC(=O)c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 782810588 NKDFIUAOBXXGHN-NSHDSACASA-N 402.432 1.324 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 786464656 AVTIJFVDUIUDKG-RFAUZJTJSA-N 400.840 1.457 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)n1 788569952 BLRQRMWEQJVUBR-UHFFFAOYSA-N 424.461 1.595 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CCC)c2=O)cn1 794582121 XTTDZVCMQCRKMZ-INIZCTEOSA-N 414.531 1.425 30 10 HDEE C#CC[C@@H](Cc1ccccc1)N[C@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 795334231 QZPMBSCILXHHIS-XLIONFOSSA-N 413.543 1.605 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCN3C(=O)CCCC3=O)CC2=O)cc1Cl 1136911016 LEJHZANUJUTVEZ-ZDUSSCGKSA-N 402.838 1.220 30 10 HDEE COCCOCCc1ncc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)[nH]1 1138163111 BHMWSYYXMFQDKJ-UHFFFAOYSA-N 408.462 1.817 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CN(C)C)cc2OC)c1 1141936469 OHFDCULYJRYTRI-UHFFFAOYSA-N 401.488 1.921 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](CCO)c3ccccc3F)CC2)o1 1171501134 GPPDVLINKACCRZ-KRWDZBQOSA-N 401.442 1.356 30 10 HDEE C#CCN1CCN(C(=O)CN[C@]2(CO)CCc3cc(Br)ccc3C2)CC1 1171949215 MVRHSHLAMFUNHM-HXUWFJFHSA-N 420.351 1.036 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3ccc(SC(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1176423251 ULZWBZSPBCJTRE-ZBEGNZNMSA-N 401.460 1.810 30 10 HDEE N#C[C@@]12CN(Cc3c(Br)cccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1198086299 ZVMVVGWRBTTZEK-HZMBPMFUSA-N 400.254 1.727 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Cl)ccc1CS(C)(=O)=O)C(=O)OC 1213384962 KOHITBYEZUYSQU-ZDUSSCGKSA-N 409.913 1.671 30 10 HDEE C#CCN(C(=O)Nc1c(Br)cnn1C1CC1)[C@@H]1CCS(=O)(=O)C1 1220395736 TVBOZTCFEGLVPA-LLVKDONJSA-N 401.286 1.635 30 10 HDEE CO[C@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)[C@@H]1CCOC1 1252898779 ATVBGBNUJJINGY-IEBWSBKVSA-N 400.479 1.970 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)NCc3nc(C#N)cs3)C2=O)c1 1255897772 FODRZHWZQJHJJF-INIZCTEOSA-N 415.475 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](CO)C1 1259108479 BXROVLORWUTYSN-ZDUSSCGKSA-N 415.899 1.814 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1275549500 NQYVHCSXSOQICE-OAHLLOKOSA-N 404.264 1.381 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCCO)CC1 1286321791 BAXWYTQPYJKMFK-SFHVURJKSA-N 408.568 1.973 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)C(=O)OC(C)(C)C 1286379963 FMBKACGZUJYFMJ-HOTGVXAUSA-N 407.515 1.938 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286553679 QKIRUFUKGPLUGK-NQYYFHDYSA-N 405.543 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(NC(C)=O)CC1 1286555579 KXFPDMNEJCWDPV-AOIWGVFYSA-N 403.527 1.868 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC2(C)C)CC1 1286646747 VUNMZKAQNHBVLX-CVEARBPZSA-N 409.556 1.814 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1286693698 XYKYIZFFAGGOHI-OAHLLOKOSA-N 421.571 1.972 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286788372 VKOPKQNDJQWMKY-LAUBAEHRSA-N 418.542 1.123 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2CCS(=O)(=O)CC2)C1 1286814826 WWGGEDQTRDMBBS-DLBZAZTESA-N 410.540 1.736 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1286966149 XQLOOQQIZOZGMQ-UFOSLELVSA-N 406.450 1.462 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC(=O)N1C 1291218748 YZPPFICEXVWYAN-QAPCUYQASA-N 410.478 1.289 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(N2CCNC2=O)CC1 1291843702 DLUYENOVHLMYGE-UHFFFAOYSA-N 407.268 1.716 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](N3CCCC3=O)C2)C1 1296366958 HXXOIKWROQGLQT-INIZCTEOSA-N 417.307 1.980 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2CCS(C)(=O)=O)c1 1300332128 XUUABMIDUCPZPQ-HNNXBMFYSA-N 417.535 1.892 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1300460034 ZHQFKTIQULIUEU-CQSZACIVSA-N 404.540 1.156 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1300468009 PYIKDVVSLAIEDO-GOSISDBHSA-N 407.522 1.554 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@H](C)C1 1300537368 FXASPVOJQQMHPK-IPMKNSEASA-N 417.579 1.373 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1300704017 YWJYAUVMPRFQDR-IEBWSBKVSA-N 414.579 1.940 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1300718339 KOPWTYGHNJLCMH-IBGZPJMESA-N 424.480 1.767 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCS(=O)(=O)N(C)C)CC1 1301065803 JNRFRVJBHXRLPE-HNNXBMFYSA-N 401.533 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)Cc1cnccn1 1301586474 MKUQDSTVDFQHCW-UHFFFAOYSA-N 418.548 1.958 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(OC)cc3)C2)c1 1301821036 ZUTHJBDPSWVIST-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H](OC)C(F)(F)F 1302095457 DQXMBAZWBRTXKM-HZSPNIEDSA-N 421.420 1.698 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1C(=O)NCC12CCOCC2 1303507575 YQFIYQNWGIDZSO-OLZOCXBDSA-N 401.891 1.434 30 10 HDEE C=CC(C)(C)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1304870801 LEPDXYUQLFOURH-UHFFFAOYSA-N 423.535 1.389 30 10 HDEE C#CCN(C(=O)NCc1c(Cl)cccc1-n1ccnc1)[C@H]1CCS(=O)(=O)C1 1312766432 SKTFVLUFPLGJNW-AWEZNQCLSA-N 406.895 1.858 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1CCOCC1 1314393284 DIVLZFYFHLKFNA-UHFFFAOYSA-N 411.510 1.834 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C)[C@@H]1C 1314557387 FFLRZFRUPGOIAK-GJZGRUSLSA-N 402.524 1.991 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cc(F)cc(OC)c1 1316210550 PEXSXQVCFSQAFJ-KDOFPFPSSA-N 419.457 1.927 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(C#N)o1 1316299448 JFYUVVNPZXZJLX-RUGDWHBFSA-N 417.466 1.365 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1358913557 QWSOYHSIXNOZGS-PMPSAXMXSA-N 413.519 1.209 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1358927063 LZDRCCRNNZLGHF-INIZCTEOSA-N 423.525 1.921 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1358959311 GHSQAWYIVBHOHC-YJBOKZPZSA-N 413.503 1.478 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(C)COC1 1358968801 ZRVDOLYKUIKFAV-UHFFFAOYSA-N 411.893 1.971 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1358978994 ZRNYNUZIZZRRQL-RTBURBONSA-N 408.506 1.646 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2ccoc2)CC1 1359037939 DTKZGQHZZLXJAI-UHFFFAOYSA-N 410.503 1.666 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC(C)(C)OC)CC1 1359046008 AIQSHFSEYPJHLF-UHFFFAOYSA-N 410.522 1.655 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359303673 WXSMPHLBZBSQJJ-RBUKOAKNSA-N 422.533 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1359331242 RWFBQQPAZJFUNR-RDJZCZTQSA-N 418.523 1.341 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1359456194 QFSDJOHGZBZZBN-GOSISDBHSA-N 407.478 1.154 30 10 HDEE C[C@]1(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCS(=O)(=O)N1 1435913229 KDQUGYLAKSLTSO-LJQANCHMSA-N 404.492 1.680 30 10 HDEE C[C@@]1(C#N)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 1439706944 GEERFOJHLIJIGF-SJLPKXTDSA-N 422.463 1.279 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)c1 1441886923 PVKITBAVJXQRFN-UHFFFAOYSA-N 405.241 1.854 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)cc1B1OC(C)(C)C(C)(C)O1 1446967278 BXVPLFCQHOGCBJ-WMZOPIPTSA-N 416.327 1.660 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN(S(N)(=O)=O)C1)c1ccc(Br)cc1 1450267279 BIYMIOJXTWSUIT-JSGCOSHPSA-N 400.298 1.155 30 10 HDEE CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457197467 QDASOJDAMWMZPA-IBGZPJMESA-N 405.455 1.287 30 10 HDEE N#CC1(CC(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)CCOCC1 1457556793 RZHTVHNQPWUIHM-UHFFFAOYSA-N 407.477 1.988 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461661504 HQKBRBPIEBLIHU-DJJJIMSYSA-N 405.838 1.355 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](n2cccn2)C(F)(F)F)c1 1464147469 PXNUWZGDLHRIRI-CQSZACIVSA-N 402.398 1.881 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ccccc3-n3ncc(C#N)c3N)CCC2=O)cn1 1467882240 YVZGSHDECNCUJS-CYBMUJFWSA-N 404.434 1.441 30 10 HDEE COCCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1468722044 TXRRTXFEUOCRRV-UHFFFAOYSA-N 419.459 1.814 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(Br)cc(S(N)(=O)=O)c2C)nn1 1469215683 HOJNUGKUKGNESR-UHFFFAOYSA-N 414.285 1.112 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)CCCC(C)(C)C2)c1 1470234313 NAYWAKSLSWOSMW-FQEVSTJZSA-N 406.504 1.840 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CC2)nc1 1470339982 DRUYGXBQMKOARV-HXUWFJFHSA-N 420.448 1.919 30 10 HDEE CNC(=O)[C@@H](CNC(=O)NCc1nc(C#N)cs1)Cc1ccc(OC)c(F)c1 1470622567 KREXNOONJXSEEN-GFCCVEGCSA-N 405.455 1.567 30 10 HDEE CCCCNC(=O)CN1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1470805950 YONQORKEWCXTAO-UHFFFAOYSA-N 407.312 1.995 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2nccn2C)C(F)(F)F)cc1S(=O)(=O)NCC#N 1472439104 WBKHIUYHXJLLSZ-ZDUSSCGKSA-N 415.397 1.564 30 10 HDEE N#Cc1ccncc1N1CCN(Cc2ccc(OCCN3CCOCC3)cc2)CC1 1474553137 HQYUPGQSEBYAPO-UHFFFAOYSA-N 407.518 1.986 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Oc3ccncc3)c2)CC1 1476141713 IIXXZQVETVDJFT-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)C2=O)cc1 1478423292 ZSMBBCIPCQVZLU-DOTOQJQBSA-N 421.461 1.127 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1478552218 BDPPQFKTFUVJBY-YUKWLFIZSA-N 414.524 1.166 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@@]2(OC(C)C)CCOC2)C1 1502965062 SESLSRVVKOEMNB-KQRDDFEUSA-N 421.542 1.845 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCn1cncn1 1504884999 HOKSHUINICICNF-UHFFFAOYSA-N 401.862 1.652 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1507600605 HSBZGVRUBLPBNX-ZDUSSCGKSA-N 424.596 1.954 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1507639578 ZTRKDDFYKGHMCU-INIZCTEOSA-N 406.508 1.699 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2cccc(C)c2C)n1Cc1nnn(C)n1 1507641945 FSPIHJDYEPBOQE-KRWDZBQOSA-N 404.478 1.680 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)nc1 1507660363 RRBMIHAKUJKBKE-MRXNPFEDSA-N 400.508 1.103 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc([C@H](C)O)cc2)CC1 1507723412 HMSGXHFNADLZPG-LPHOPBHVSA-N 408.506 1.086 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1507783263 UPOSBAMGEYMXND-DGCLKSJQSA-N 406.288 1.302 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1507800707 OWRULALREVOYPK-BZSNNMDCSA-N 412.494 1.273 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1507967627 MBESIHDSEJNTMK-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508020487 OCTOKDXFWHDEAS-GOSISDBHSA-N 416.551 1.724 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(S(C)(=O)=O)CC1 1508060798 CMBLWHIMYAMEQU-UHFFFAOYSA-N 415.523 1.174 30 10 HDEE CC(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1508395419 OWLHRXGLGLUQCQ-PXNSSMCTSA-N 414.441 1.759 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1512526511 CRHPAXBFOMRIJX-FXAWDEMLSA-N 410.522 1.889 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](COC)OC 1513697276 DWXMMWLIZNWELB-ROUUACIJSA-N 415.494 1.810 30 10 HDEE Cn1nc(C(F)(F)F)c2cc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cnc21 1523991987 OVWQBOLCTWRMRA-UHFFFAOYSA-N 420.355 1.671 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CS(=O)(=O)CC)c(C(=O)OCC)c1C 1524509181 OIAKAHZCOPMUQX-UHFFFAOYSA-N 403.478 1.949 30 10 HDEE C=CC[C@]1(C(=O)NC[C@]23COCCN2C(=O)COC3)CCCN1C(=O)OC(C)(C)C 1532280203 FQZWFMDSRPMKKM-NHCUHLMSSA-N 423.510 1.076 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2ccc(Oc3ccc(CC#N)cc3)cc2)C1 1534214503 FJXXFTZNODDDEH-UHFFFAOYSA-N 414.487 1.765 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCCCS2(=O)=O)c(I)c1 1538009939 SQDWUHVAHVMOES-UHFFFAOYSA-N 419.244 1.527 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1539215781 JDTSJHJTYHUWMM-LJQANCHMSA-N 422.514 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2nnc3n2CCC3)CC1 1539469004 LXUMIXNWYHBAFQ-OAHLLOKOSA-N 410.526 1.343 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540870826 XTZDXWPAPQAOAR-HZPDHXFCSA-N 415.498 1.897 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540874244 ZFTFUHNVXQUXJC-GOSISDBHSA-N 402.543 1.618 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccoc2)nnc1[C@@]1(OC(C)C)CCOC1 1540876676 XZMBCXLTQSFHPO-HXUWFJFHSA-N 403.483 1.850 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCC(C#N)CC3)n2Cc2nnn(C)n2)cc1C 1542422206 GSHKAUGORQGJAY-UHFFFAOYSA-N 420.481 1.459 30 10 HDEE CCOCc1nnc(N(C)[C@@H](C)CC#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1548076145 KLSOSLYDNCPYGT-FTAMUGHTSA-N 412.494 1.360 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1554284463 DKIMIAKGHSBMOL-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)CC(F)(F)F 1557396468 OCQWLMWLVKNMHA-LLVKDONJSA-N 400.419 1.386 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(CC1)C[C@H](O)CCO2 1558496888 VQZXRCWBEXQAAA-OAHLLOKOSA-N 421.519 1.038 30 10 HDEE CC(C)CCC[C@@H](C)NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1559448498 CPZGQGUAKWXKIK-OAHLLOKOSA-N 420.510 1.554 30 10 HDEE COCCOc1ccccc1N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1559626599 VAGLVLFMYGYVPN-LJQANCHMSA-N 403.523 1.905 30 10 HDEE COC(=O)[C@H]1CN(C[C@H](O)CC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1560175578 VUVUMNFGSCRWRH-HZPDHXFCSA-N 407.511 1.773 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)nc1 1565120726 VGRYXOOHBIFMFA-ROUUACIJSA-N 411.510 1.829 30 10 HDEE COc1cccc2c1CCC[C@H](NC(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)C2 1565467560 OSBRJXLNPJPBHQ-TWOQFEAHSA-N 403.504 1.522 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1565668838 RWUMMSKPJVSEHJ-JXMROGBWSA-N 419.434 1.071 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1568888504 QSPAXUSWMVAUBD-HOTGVXAUSA-N 415.556 1.423 30 10 HDEE C#C[C@@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1 1586730793 WCYJBLFCQGPPJH-HXUWFJFHSA-N 404.532 1.948 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1587990290 VAVSGARTXVPFOU-MRXNPFEDSA-N 403.508 1.480 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/Sc2cc(F)ccc2F)CC1 1588199718 WPYVCEXXELCMHC-VZUCSPMQSA-N 401.460 1.182 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1588271541 LODNNRVBOGJRPW-PXNSSMCTSA-N 404.511 1.933 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCc1ccn(C)n1 1588672218 CGQMLDJIZCJDHB-UHFFFAOYSA-N 418.505 1.579 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)CC 1589185669 GHZHTZSBRQMYST-OAQYLSRUSA-N 419.493 1.391 30 10 HDEE C=C1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCS(C)(=O)=O)CC1 1594083797 XRPPNLQGQRIXNA-UHFFFAOYSA-N 414.491 1.795 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1595116451 RQOGIPGDVGSWGE-ZJBJCVSYSA-N 411.506 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccccc2C1 1595550643 GIASRHIRWHDRGD-KRWDZBQOSA-N 415.519 1.045 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1595760491 NTNGCAACEDQJAV-RDJZCZTQSA-N 422.555 1.704 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1596752470 VFGUDCIGGAPLBM-UHFFFAOYSA-N 400.508 1.808 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C#N)CC1 1598046094 KRHVNJIMVWLNSM-UHFFFAOYSA-N 415.542 1.806 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CN([C@@H]3CCOC3)C2)n1 1611072998 SZJNCIMDAGMDPR-CYBMUJFWSA-N 406.537 1.459 30 10 HDEE CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1615911208 BKUJRLGFSJNGOX-ZWKOTPCHSA-N 409.575 1.963 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@H]2C(C)C)CCOC1 1616261202 HCFUONOUEFDMCI-TWFHAPMSSA-N 419.526 1.720 30 10 HDEE COC(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccc(OC)c1 1617811031 LNTNGYLUORYSPO-UZLBHIALSA-N 407.426 1.950 30 10 HDEE C#CCN(CC(=O)N1CCN(c2ccc(C(N)=O)cc2)CC1)C(=O)OC(C)(C)C 1618086524 YGSVONOIUZPNND-UHFFFAOYSA-N 400.479 1.304 30 10 HDEE COC1CCC(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)CC1 1619482990 ZVBXTQHPWKRVDS-OFLPRAFFSA-N 402.499 1.334 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(N)=O)CCCC1 1620082608 GGDMHEGEROOYGP-PMPSAXMXSA-N 404.515 1.786 30 10 HDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2nc3n(c2C#N)CCOC3)CC1=O 1623340342 OWSGWFFMYSBAFN-NSHDSACASA-N 415.837 1.939 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1624048803 DGKTXADLBOBUCK-INIZCTEOSA-N 409.508 1.299 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)cc1 1625518139 RQUHMAICKAGSOK-DODVFSASSA-N 424.544 1.850 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCc4cc(Br)ccc43)C[C@H]1CS(=O)(=O)C2 1626655609 IVVGKWVAOXNWKT-NUTKFTJISA-N 409.305 1.876 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccc(Cl)cc1 1626655907 NDCMZDOACGTGSK-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE C[C@H]1C[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1626688799 GGHYDJDMODFPHO-GXTWGEPZSA-N 405.455 1.115 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC3(S(C)(=O)=O)CC3)C2)C1 1626762628 QKYYIHBQXCILJD-FVRSWCFKSA-N 411.524 1.467 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1627709040 HQIWCNXGUJLOKR-DZGCQCFKSA-N 419.482 1.505 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N=c1nc(C)[nH]n1CC 1628058588 AORUAOYVBVTJFI-CQSZACIVSA-N 404.496 1.264 30 10 HDEE CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1630804185 WJXOYWWCCWVBRV-YAPFMDDRSA-N 404.511 1.804 30 10 HDEE C=C(C)COCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1631477397 MLODRJVEOATIPH-IEBWSBKVSA-N 410.536 1.643 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1=O 1633657954 YPLSJZRZXSELEU-UHFFFAOYSA-N 409.442 1.965 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@H]2[C@H]3CC[C@@H]([C@H]2C1)N(C(=O)C(F)(F)F)C3 1637389530 IQBYNFWPIRIILF-QRJUGERDSA-N 401.429 1.856 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1637713773 FDWCYIFZEAGVKU-HXUWFJFHSA-N 407.474 1.958 30 10 HDEE CC1(C)CCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1637844372 BBIGVUQLDQAISF-UHFFFAOYSA-N 418.563 1.950 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2C1=O 1642519679 GQMFEBWGGIMNPT-UHFFFAOYSA-N 423.381 1.998 30 10 HDEE COC(=O)[C@@H](c1cccc(C#N)c1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1643806518 YNSSSDHTCSBALD-HSALFYBXSA-N 403.438 1.889 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@H]1CCOC1 1645743925 VMMXUQIOMVPVAS-CVEARBPZSA-N 421.519 1.159 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCN3CC(F)(F)C[C@H]3C2)CC1 1646441148 AZPDQQRMWGRVGT-JKSUJKDBSA-N 409.506 1.482 30 10 HDEE CN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C[C@@H](O)c1cccc(C#N)c1 1647116275 MDFYWOPHSWRGRU-GOSISDBHSA-N 411.853 1.791 30 10 HDEE C=C(C)C[C@H](NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OC 1648793656 FTDZHZVUKXIFSB-HOCLYGCPSA-N 413.515 1.666 30 10 HDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCC1 1652398866 WWSNZCYMMKSFJO-PMPSAXMXSA-N 410.536 1.719 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)CCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1654884919 HFUKGSNITCCCKL-LPHOPBHVSA-N 410.561 1.628 30 10 HDEE N#C[C@@]12CN([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1660310186 UITDHXZLWVLRBG-NUTKFTJISA-N 424.320 1.425 30 10 HDEE C#C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@H]1CCCO1 1661510109 XOHCEMVZCJBKGC-DLBZAZTESA-N 404.488 1.409 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1663918483 AYZJYLJQYWJVAN-GXTWGEPZSA-N 419.400 1.870 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)CC1 1665159747 NVIJMBKWUKAXDO-UHFFFAOYSA-N 418.519 1.630 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)C1 1666053752 YGQSYCHQLBNHEN-JTQLQIEISA-N 418.288 1.063 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)ccc21 1667229240 BLTXXJSIMNPHSX-SFHVURJKSA-N 410.499 1.604 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC3(CC2)CNC(=O)N3C)c(C#N)cn1CC 1671042169 AYDDXZMCXMGBFF-UHFFFAOYSA-N 402.455 1.578 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1 1675637886 LESBLWPTLRYSGM-UHFFFAOYSA-N 409.512 1.538 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCc3cc(Br)ccc32)c(=O)nc1O 1675643997 PNFCNIRHVOSVHE-CQSZACIVSA-N 418.251 1.570 30 10 HDEE C#CC[C@H](COC)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1679673020 NBVJXDUULKDQAX-OAHLLOKOSA-N 413.565 1.803 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCN(C)S(=O)(=O)c1cccs1 1680777406 XWAUFEIVYAKUCC-INIZCTEOSA-N 422.532 1.615 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CC[C@@H](CN4CCCC4=O)C3)C2=O)cc1 1681299997 CMXWVIUYMFDTGK-PKOBYXMFSA-N 409.490 1.708 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCCNC3=O)cc2)CC1 1683048730 UTMPYIRYNLBIOL-UHFFFAOYSA-N 419.489 1.905 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@@H]2C[C@H]2Cc2ccccc2)CC1 1685548039 BTBMLGFOLDYSSZ-RTBURBONSA-N 404.536 1.050 30 10 HDEE COc1ccc(Br)cc1C[C@@H](CO)CNC(=O)NCC#CCN(C)C 1685832234 QRRFWXROTZFKKG-CQSZACIVSA-N 412.328 1.473 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 1686055185 GZIANVJHMILNSK-KBPBESRZSA-N 414.528 1.260 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@]2(O)CCO[C@H]2C)c1 1689873332 FEKONVVTCBOWQR-HJPURHCSSA-N 423.517 1.827 30 10 HDEE C#CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1689917718 DSPIFATUKYVGGV-MRXNPFEDSA-N 403.464 1.890 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1690085807 GNEJQDFYKOGROY-QFIPXVFZSA-N 413.522 1.782 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1690236385 MBSYHGSETBZLMJ-ULQDDVLXSA-N 411.572 1.901 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N(C)CCNS(C)(=O)=O 1690243675 NVXJKMPGVMVMTR-NVXWUHKLSA-N 422.555 1.250 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1690514985 BSBPHQJCMIUPNE-OAHLLOKOSA-N 418.567 1.941 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCCC2)C1 1690671259 SFTYSKRISSCKEX-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1691001013 AWXATPIBFUJMEB-FUHWJXTLSA-N 416.574 1.099 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1692659637 AXLDCMSDZHCZFE-GOEBONIOSA-N 405.466 1.597 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C#N)cc1 1697782909 XEMSITNBIVYLPJ-SJORKVTESA-N 421.498 1.673 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCC1 1698171224 XLURGBLMGGFUEW-IEBWSBKVSA-N 417.558 1.274 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705534021 WTWCNEBZYQRQJS-KRWDZBQOSA-N 413.551 1.730 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cc(C)ccc2OC)CC1 1705637528 BAWUYXMAPZTGJT-UHFFFAOYSA-N 419.533 1.994 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCNC(=O)c2cccc(O)c2)CC1 1705645121 LGYMPEWUHUEVDJ-UHFFFAOYSA-N 424.505 1.078 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)SC)CC1 1705648677 WFXAHPCXVVDYDV-INIZCTEOSA-N 405.568 1.889 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2OCCC2(C)C)CC1 1705652534 CQZLDCLBQZUDAU-KRWDZBQOSA-N 403.527 1.596 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(CC)CCS(C)(=O)=O 1705703326 MHUIXYIFGXRILB-DOTOQJQBSA-N 422.555 1.531 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705754106 QKUZMJGAEVEZCR-ZDUSSCGKSA-N 403.936 1.443 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705905890 KUMCHGUDGHLOJB-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1 1722276679 JIHIEUZIHVFSAO-JKSUJKDBSA-N 405.524 1.815 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCc2cccnc21 1722382685 JHAUMCIYKNQXIA-RBUKOAKNSA-N 423.542 1.768 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1722404652 CVJRJYAXJFCESK-UHFFFAOYSA-N 401.272 1.739 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1([S@@](C)=O)CCC1 1722425817 NMLPTUBSNBNVAX-MUUNZHRXSA-N 401.536 1.651 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(OC)c2OC)CC1 1722437215 AOUNWQSEQHSANC-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cccc(F)c2)CC1 1722701038 DBORZIOXAMOEIE-UHFFFAOYSA-N 412.513 1.994 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1722725737 RJTDHKVYLJMOLX-HNNXBMFYSA-N 413.544 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(CC)C1 1722728196 RSQVHERDAJAORE-SFHVURJKSA-N 406.512 1.341 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722743548 DGOXDKFBBLENHX-XHSDSOJGSA-N 422.555 1.135 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccnc3)nnc2N(CCC#N)CC2CC2)CC1 1722796924 GFPYGMCPBQMWKU-UHFFFAOYSA-N 422.537 1.634 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccnc1-n1cccn1 1722861249 GULXMMVLFAJEJS-HNNXBMFYSA-N 407.482 1.641 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1724009818 HWNXNLWXGCCGQW-INIZCTEOSA-N 422.493 1.382 30 10 HDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1725731756 GDFOYWDNVBEZIZ-UHFFFAOYSA-N 411.491 1.257 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1726418653 APBQFOTYUVVKJH-YRGRVCCFSA-N 423.543 1.893 30 10 HDEE CN(CCC1CC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729513821 KBMMHHHEUBRVIE-UHHPSXQGSA-N 400.483 1.545 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2C)CCO1 1730585588 CEHZRPLPWFGOBI-LJQANCHMSA-N 407.478 1.759 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740620058 SZBONLWQLNOIJF-KRWDZBQOSA-N 413.503 1.214 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740677708 OFWIOABHSNFEDY-KRWDZBQOSA-N 405.499 1.647 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1740698000 MBKMZKNKVDWXNI-UHFFFAOYSA-N 422.577 1.975 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740858637 WNOUOHTWLPFKNH-YESZJQIVSA-N 410.588 1.918 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1740894688 DEGOUDPFIUUUAU-UHFFFAOYSA-N 419.449 1.566 30 10 HDEE C=CCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1740949587 LUPABXGZQKMYDE-QRWLVFNGSA-N 417.514 1.691 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nncn2CC)C1 1740983462 JKNHPPSBXVMJRV-KRWDZBQOSA-N 411.514 1.581 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1740994320 PDJREDLPKMVNRN-APWZRJJASA-N 412.556 1.767 30 10 HDEE CCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1747354947 UQBCOESZVBTBDF-CYBMUJFWSA-N 409.288 1.811 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(OC)CCOC2)C1 1748170171 HXBMCJLSJOZVGT-AVRDEDQJSA-N 424.505 1.585 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1748747436 HVPJTNGFSPZHQZ-QGZVFWFLSA-N 402.543 1.437 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCOCCCO 1748788517 QPUSCENJNUEUPF-QGZVFWFLSA-N 421.542 1.861 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1748851895 QPADACYKDBXIEK-RTBURBONSA-N 415.563 1.508 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CC 1748960341 IAMZLKCRHWYUKS-NRFANRHFSA-N 410.478 1.841 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1749032842 RMBIEMBOTWEDFS-SFHVURJKSA-N 417.583 1.592 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCCCO1 1749053991 NPDBQWKYBJOBLE-GPMSIDNRSA-N 409.556 1.840 30 10 HDEE COC[C@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1749351074 NKRKDUDTVZLFHJ-XJKSGUPXSA-N 424.502 1.381 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@H]2CC2(F)F)CC1 1749649974 FGAFOLMDXKLIDC-CQSZACIVSA-N 410.469 1.590 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1749660031 MMWDEKAOZGWGQD-MAUKXSAKSA-N 415.494 1.496 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)(F)F)C1 1749705092 GGMXUSAAMBGPMQ-ZDUSSCGKSA-N 412.416 1.743 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](C(N)=O)C1 1749729485 LGUSGJVWAWIGIP-ZDUSSCGKSA-N 423.926 1.511 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1C 1760117463 PEGHXALYJQZQJF-QZWWFDLISA-N 409.556 1.505 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760172118 MWDSBXSZBZCGPM-LEWJYISDSA-N 409.534 1.856 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760206044 PNDKZZIOHYTRIB-RTBURBONSA-N 403.486 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCCS(=O)(=O)C1 1760220934 FSCKIQLKCMDESH-LJQANCHMSA-N 411.531 1.552 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1760249606 PAQKBJYQWYZCCH-HNNXBMFYSA-N 421.523 1.173 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1760507618 TWKKSIDUIDOABU-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1760544447 AGPHWLUJICWOCZ-CVEARBPZSA-N 418.523 1.341 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1COc2ccccc2O1 1761217748 ZIWNEUFNLNQGDO-JLTOFOAXSA-N 414.441 1.698 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@]2(O)CCOC2)CCOC1 1761284915 FKKOOBUWFHNMGP-PCCBWWKXSA-N 419.526 1.600 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)CCN1S(C)(=O)=O 1762767011 GZGAUNHQAYOZFL-JKIFEVAISA-N 400.508 1.868 30 10 HDEE CCOCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OCC)CCOC2)CC1 1766513544 XYNSVSLPTMCNDK-UWJYYQICSA-N 419.526 1.866 30 10 HDEE Cc1c(S(N)(=O)=O)sc(C(=O)ON2C(=O)c3ccccc3C2=O)c1Cl 1772783399 OOEBRFUCKKZGGK-UHFFFAOYSA-N 400.821 1.725 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)cc1 1849844523 FZKXRZRJUUUEBD-UHFFFAOYSA-N 402.458 1.896 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)[C@H]1CCN(C)C1=O 1850863880 YHBBOQHZHQBBQH-YOEHRIQHSA-N 401.463 1.302 30 10 HDEE COc1ccccc1CN1C[C@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)CC1=O 1852469177 WOPQPJWEYHYTDP-QZTJIDSGSA-N 422.441 1.674 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cnc4ccccc4c3=O)C2)CC1 1853748482 KEBZVCXPFYUSGA-KRWDZBQOSA-N 407.474 1.397 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)C1 1854979197 KBAAOISRRINZAQ-HZPDHXFCSA-N 416.547 1.872 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2=O)c1 1855389088 UPKAOMVVQGEFJB-UHFFFAOYSA-N 418.862 1.474 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C1 1855449119 KUNIWBAZNZOPSX-KRWDZBQOSA-N 405.520 1.633 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3C[C@H](C4CCN(CCC#N)CC4)CC3=O)cc2n1C 1856151447 ZQGRLZVQHQFGDE-QGZVFWFLSA-N 409.490 1.491 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(C4CC4)no3)C(C)(C)C2=O)CC1=O 1856366181 JFYQDFXCNNFSAR-HNNXBMFYSA-N 400.479 1.536 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1=O)[C@@H]1CCN(C)C1=O 1856747967 CIZZSDGMVOSVNU-LSDHHAIUSA-N 403.504 1.801 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1856787159 DVVPWDKSUMWMSM-DYESRHJHSA-N 400.454 1.121 30 10 HDEE CN1CCC(C(=O)N2C(=O)CCc3cc(S(=O)(=O)N(C)CCC#N)ccc32)CC1 1856917969 AIWDOCBTZMVHMK-UHFFFAOYSA-N 418.519 1.368 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1857412464 LSYRNONRMVRQQV-KKSFZXQISA-N 400.454 1.439 30 10 HDEE C=CCn1c(C(=O)NCCc2ccccc2)cc2c(N(CCO)CCO)ncnc21 1873591065 CKFWILDIRRZPEB-UHFFFAOYSA-N 409.490 1.381 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCC(COc2nccnc2C#N)CC1 1891656731 NXWTXYDRYKXFBO-UHFFFAOYSA-N 406.439 1.976 30 10 HDEE C=C(Br)CN(C)S(=O)(=O)c1cc(Br)cnc1NN 2031578868 ODCSWFQEBDXLLN-UHFFFAOYSA-N 400.096 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)c1cccnc1C#N 2174782130 MXICSKDHICQGOW-NSHDSACASA-N 402.423 1.876 30 10 HDEE C#CCN(CC(C)C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197738845 HAHNWEWBQSNWKY-HNNXBMFYSA-N 400.541 1.917 30 10 HDEE COCCNS(=O)(=O)N(C)Cc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202313466 JZPFLDOLPXWTSD-UHFFFAOYSA-N 404.363 1.268 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1 2243380110 UNKPTYYCADOJHR-LLVKDONJSA-N 405.264 1.964 30 10 HDEE CN(CCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243423942 ILCOGYZXDHTBDG-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)COC1 2247908741 ZIPZXUYKJRHSKW-UHFFFAOYSA-N 422.287 1.602 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ccc(N)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2248028475 KHKJJZNTNJJSFA-UHFFFAOYSA-N 419.331 1.962 30 10 HDEE CN(Cc1nn(C)nc1Br)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2266764950 KENPHWMESAAHQV-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267705443 YCQNCFOTLNYATA-YDGUKXNOSA-N 407.388 1.401 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCC[C@@](N)(CO)C3)c2Cl)OC1(C)C 2281947794 WVGVNRBKVXONOG-KRWDZBQOSA-N 400.737 1.627 30 10 HDEE C[C@H]1OCC[C@]1(O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281965250 AODDBRVIJBOSQG-QGHHPUGFSA-N 401.721 1.970 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@](C)(CO)C(F)F 2282324689 SNQNUGPPZVTUIC-OAHLLOKOSA-N 411.301 1.650 30 10 HDEE CCN([C@H]1CCSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334709 FSTVDHZRJVBPAN-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CSCC[C@@H](O)CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343234 OZIIPCQAJOBVFW-ZDUSSCGKSA-N 421.415 1.830 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCO1 2282500757 NGYSZSQCMKIIID-AAEUAGOBSA-N 402.347 1.429 30 10 HDEE C[C@H]1CN(C)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509267 IQOIQINOXUJLTH-GXTWGEPZSA-N 400.375 1.417 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)NC 2282829801 KLUGDNWWTXNYEG-JTQLQIEISA-N 422.765 1.504 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840814 PUUHNUNFSSJPPD-QWHCGFSZSA-N 401.359 1.938 30 10 HDEE CN(C)CC1CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282849752 GNIWBFYSHIZZJU-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE COCCOCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850772 SSTDRBYIZXYCRB-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@@H](O)C3)ccc2Cl)OC1(C)C 2282874182 WTUWXPIANRWHPZ-NWDGAFQWSA-N 401.721 1.831 30 10 HDEE C[C@H]1C[C@H](C(=O)O)N1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2284397519 MRIQYLFGMFENBQ-WCBMZHEXSA-N 421.733 1.937 30 10 HDEE C[C@H](CCC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284404117 WJRAFFHAKJEMLQ-LLVKDONJSA-N 403.331 1.720 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413543 AAFZSJQNZXWMOI-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)c1cscc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c3cccc(C(F)(F)F)c3)S[C@@H]21 8636391 UNHCGMLYZQDOFR-AIEDFZFUSA-N 413.421 1.448 30 10 HDEE biogenic C=CCNC(=O)CN1CCN(Cc2cc(OC)c(OC)cc2Br)CC1 23265421 NEIJCOMTKFUPAJ-UHFFFAOYSA-N 412.328 1.886 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 52305008 MRVLBRNOZVJSQI-UHFFFAOYSA-N 414.550 1.114 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3F)n[nH]2)cn1 59887079 QRGLTVHUJVOOPQ-UFWORHAWSA-N 418.458 1.964 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCCC(=O)Nc3ccccn3)n[nH]2)cn1 59887227 KZUKVIWNPUWFAF-VXLYETTFSA-N 415.483 1.610 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)CO/N=C(/N)c2cccnc2)c1 148796420 VYMDVHPSDCQIFF-UHFFFAOYSA-N 405.480 1.388 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 238817671 BWAVSGHROKWDCV-NSHDSACASA-N 408.461 1.428 30 10 HDEE C[C@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409597147 VDYIOIGAVRDHPS-HUUCEWRRSA-N 406.450 1.666 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)C1=O 410178603 NLHNUWLIJFESCQ-MJGOQNOKSA-N 401.482 1.852 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN(CC(F)F)C2CCS(=O)(=O)CC2)cc1 429713635 FCERCUNKFNYCHM-UHFFFAOYSA-N 406.476 1.476 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 437953629 KQQOKMQGVMNEII-UHFFFAOYSA-N 400.357 1.674 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN([C@@H](C)c3ccncc3)CC2)CC1 440186240 KSOGFOPWLOILIO-SFHVURJKSA-N 414.554 1.236 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 448471896 MPJVNKCVLLFICP-CQSZACIVSA-N 410.400 1.338 30 10 HDEE N#Cc1ccc(OCCNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 461204731 SKZRIUOICJNKNQ-OAQYLSRUSA-N 418.453 1.529 30 10 HDEE Cn1c(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc2c(=O)n3ccccc3nc21 461318178 LMHSFZQRPJXHIR-UHFFFAOYSA-N 410.397 1.891 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465496091 LPSAOKOSPDHWEC-CYBMUJFWSA-N 401.448 1.034 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)c1ccn(C)n1 468797362 CGMHCOFIBJOTOD-ZDUSSCGKSA-N 413.253 1.247 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 469884341 MPWCRKVDZGVFBQ-WFEDQXDTSA-N 424.457 1.563 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)Nc1cccc(CC(=O)N2CCN(C)CC2)c1 476912823 ZXZRDIPOCXCFGI-UHFFFAOYSA-N 412.515 1.984 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 478746931 MZOQQMQVYFMYDZ-OAHLLOKOSA-N 414.531 1.331 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ncncc2Br)CC1 481698084 SPSVMGUIWHPIFL-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C[C@H]1CCCO1 482561409 RPHZUJLDRMCKJV-CYBMUJFWSA-N 413.524 1.750 30 10 HDEE Cc1ncc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1C#N 489877048 WKKDZPDGFALCFV-CVEARBPZSA-N 412.471 1.459 30 10 HDEE Cc1nc([C@@](C)(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2CC2)no1 497589739 VVRFQFGGQFQUCQ-SFHVURJKSA-N 403.464 1.625 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@H]21 506946428 SSPCINSIDSXWDO-HUUCEWRRSA-N 420.491 1.668 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508707285 URYIFESIWCADQU-UHFFFAOYSA-N 423.569 1.998 30 10 HDEE C=CCn1c(CN2CCN(Cc3ccc(C)cc3)CC2)nnc1N1CCNC(=O)CC1 519755706 POJQYHXKZMKWAR-UHFFFAOYSA-N 423.565 1.417 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 524246470 RTDWOOJXCGVBRE-OAHLLOKOSA-N 419.459 1.615 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CNS(C)(=O)=O)C1 533356817 FXUIJERDHRLQQN-STQMWFEESA-N 410.565 1.697 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(OC)cc(C)n2)c(=O)n1CCC 539596049 DEMVPKBAGCMAOS-UHFFFAOYSA-N 400.504 1.061 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cc(OC)cc(C)n2)c1=O 540697478 UWQSVRYIMOKRLH-UHFFFAOYSA-N 412.515 1.227 30 10 HDEE N#CC1(CS(=O)(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)CCCC1 544714372 ATANCVKYPQOBEP-UHFFFAOYSA-N 404.536 1.729 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 545284502 RVFDBFSYINDSPA-HUUCEWRRSA-N 418.519 1.644 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546957264 AUTUOFVWQWBHQF-UHFFFAOYSA-N 409.446 1.049 30 10 HDEE CCN(CC)CCN(C(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 550241715 JJWWIPTYSNRXOF-FUHWJXTLSA-N 407.536 1.683 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c1C#N 557862513 VARQCQACVNRVQV-HNNXBMFYSA-N 405.501 1.608 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 559008146 ZFAHFPXJGLIEAX-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 573478923 WWDRAPIHWJLJRW-SFHVURJKSA-N 404.879 1.853 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)CCC1 573762952 CPDACDRGSSAKTE-FQEVSTJZSA-N 402.564 1.902 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)nc2)c1 586837201 XKPXPZZKLIVWHH-UHFFFAOYSA-N 401.492 1.826 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(-n2cncn2)cc1 604467558 GEHQFCCZXJZFJT-CQSZACIVSA-N 410.459 1.295 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 609562208 USQIKHSOBOTIPE-KRWDZBQOSA-N 419.489 1.163 30 10 HDEE COc1ccc(CN2CCN([C@@H](C)C(=O)N(C)CCC#N)CC2)c(OC)c1OC 610204686 UKVRWQMOIBVOTM-INIZCTEOSA-N 404.511 1.591 30 10 HDEE NCC#Cc1csc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c1 703977545 HGYJRIONPMIBLE-UHFFFAOYSA-N 417.512 1.164 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cccc(OC)n2)cn1 726114144 WNHJBEMLXUTXOD-AWEZNQCLSA-N 402.480 1.574 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)/C=C/c2ccccc2C#N)CC1 727743328 VJHSFEYJNQPIDH-ZHACJKMWSA-N 410.499 1.828 30 10 HDEE C#CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 729334821 WCFJZSCFZYNNBI-QKLQHJQFSA-N 404.532 1.558 30 10 HDEE CC(C)NC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143572 USKSDTCSQWHZTM-INIZCTEOSA-N 419.551 1.211 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1 730313608 AMMAJHHVKOLMBF-KRWDZBQOSA-N 401.488 1.809 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)COC(=O)[C@H]2CNC(=O)N2)cc1 732364724 VLZGLIMYHKGEBY-MRXNPFEDSA-N 411.418 1.138 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)cn1 732561069 FINNZANINPSGRM-INIZCTEOSA-N 412.515 1.177 30 10 HDEE CN1C[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCC1=O 738908264 YXEBDZWLDMOQEB-FJGOLAJPSA-N 407.496 1.242 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 742028832 JIGDYICMEJGOHO-STGLLQLASA-N 414.553 1.888 30 10 HDEE C#CCN(CC(=O)N(CCC)CC(=O)Nc1ccccc1C)[C@H]1CCS(=O)(=O)C1 749284633 UMUBEYBWZCKKMA-SFHVURJKSA-N 419.547 1.294 30 10 HDEE C#CCN(C(=O)NCC1(N2CCC(OC)CC2)CCCC1)[C@H]1CCS(=O)(=O)C1 774212014 XLSZZUSNYKMVBI-KRWDZBQOSA-N 411.568 1.242 30 10 HDEE COc1ccc([C@H](CN2CCCC2)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 779541704 GCCGLKSLVOOIMW-VEGAHXMMSA-N 412.490 1.865 30 10 HDEE Cc1c(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)nnn1C(C)C 797207901 UZJPSFNYGJCELC-UHFFFAOYSA-N 412.269 1.920 30 10 HDEE COCCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](F)(C#N)C1 802485254 JOJBBPNHONIBDG-LJQANCHMSA-N 402.430 1.793 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccs2)CCN1C1CC1 802696117 GGEXHAQBXDVYCT-INIZCTEOSA-N 411.535 1.800 30 10 HDEE COCCCn1nccc1C=c1sc(=C(C#N)C#N)n(Cc2ccccc2)c1=O 802722342 MXJOVQWPDWHRET-UHFFFAOYSA-N 405.483 1.218 30 10 HDEE CCc1nnc(NC(=O)[C@H](C)[C@@H](C)NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 805879165 DISVIWMUWQCZIC-BZPMIXESSA-N 405.528 1.445 30 10 HDEE Cc1cc(NC(=O)COC(=O)c2cscc2C#N)n([C@H]2CCS(=O)(=O)C2)n1 814611401 NVQCPFFVQGCJHJ-LBPRGKRZSA-N 408.461 1.280 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc4c(s3)CCCC4)CC2)C1=O 1130122249 KTNDTACEBUPBJC-UHFFFAOYSA-N 416.503 1.705 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)nn1 1134526302 TYXUBZLTAFNTIV-UHFFFAOYSA-N 419.482 1.671 30 10 HDEE Cn1c(=O)c2cc(C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)sc2n(C)c1=O 1137430216 HAWBSHRIGYTWGS-UHFFFAOYSA-N 420.454 1.490 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)N(C)CC)c1cc[nH]n1 1140164993 GSUMINHLJLPIPO-CQSZACIVSA-N 423.470 1.163 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCC(=O)NCCN3CCCCC3)C2)c(F)c1 1140743267 DMIOPCMIYWNPKH-QGZVFWFLSA-N 401.486 1.242 30 10 HDEE CCOC(=O)[C@@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)=O 1141804427 YSFBIQRUQQEVDJ-HGSNWSKYSA-N 423.491 1.596 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1 1157759538 BBJBSPYZFDNDEW-HZPDHXFCSA-N 419.478 1.274 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1cccs1)C(C)(C)CO)c1cc[nH]n1 1163449736 WIVMZWWTXHOXFR-INIZCTEOSA-N 408.480 1.631 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1164673518 RGFGBEASPPDZJS-HNNXBMFYSA-N 406.280 1.411 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 1165488659 CASIVLKONFWYHC-DWRORGKVSA-N 402.520 1.776 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC2(CC1)C[C@@H](O)CNC2=O 1176727531 HLLOXHKSJAPELT-JKSUJKDBSA-N 416.547 1.982 30 10 HDEE C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1192895227 JOVZXRIUONEQBA-OAHLLOKOSA-N 400.522 1.294 30 10 HDEE N#Cc1ccsc1NC(=O)CN1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1198731583 JHWCFPCOKYDQDP-BXUZGUMPSA-N 407.439 2.000 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(C(=O)OC)ccc2C(=O)OC)cc1 1211897479 WHHRQEGJBTUGQS-UHFFFAOYSA-N 417.439 1.750 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2=O)cc1 1226112027 LWRVGAXQSLJZDK-RTBURBONSA-N 424.505 1.643 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3cccc(C(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1228930121 IIIIIGXVULIYSO-XHDPSFHLSA-N 402.398 1.223 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1251282689 LRJJQIDFSCHASR-UHFFFAOYSA-N 404.471 1.631 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286348843 ALWSEWRYLGPXOU-XOBRGWDASA-N 400.483 1.010 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1286375988 BRTOCRFRFVKXNX-MAUKXSAKSA-N 416.503 1.827 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1286793810 MMKWBFVLCYCRHQ-BEFAXECRSA-N 409.556 1.563 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc(C(C)(C)C)no1 1288774460 YOZNGFASMSTXHO-CHWSQXEVSA-N 423.543 1.960 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@]34CCC[C@]3(OCCOC)OCC4)cc2C1=O 1289620786 XSWJCELQXHORJJ-FGZHOGPDSA-N 414.458 1.901 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1298721952 AJZAJLPETBDJBI-UHFFFAOYSA-N 420.521 1.872 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CC1 1299108732 GDKSVAHYGUTGJL-JOCHJYFZSA-N 424.505 1.585 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1300382372 RJWWRQUVTWRCHD-QZTJIDSGSA-N 403.527 1.994 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300495703 JPIQOLXVBGKESQ-IRXDYDNUSA-N 424.592 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCC)C1 1300557233 RDHNDOHZFMTBOE-ZWKOTPCHSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1COCCO1 1300569861 UVWGZXCTGQAESB-GOSISDBHSA-N 410.474 1.841 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cccn1 1300573296 FOMPHVGQKNISMZ-SFHVURJKSA-N 407.478 1.893 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1300591390 PLXYHNDUOYQZNI-UHFFFAOYSA-N 419.485 1.733 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCN(C)C1 1300649830 WWGHRDZRQKGZBB-PGRDOPGGSA-N 413.497 1.628 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2OC)CC1 1300681712 ZKEZZNHBHYLARC-UHFFFAOYSA-N 422.533 1.521 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@H]2OC)CC1 1300710948 QQBFRPHABFKAJP-WCIQWLHISA-N 417.554 1.572 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1300760558 DVIRLPBOGSCVTP-MRXNPFEDSA-N 403.552 1.740 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 1301069796 FTYRMTXZGROESF-WIYYLYMNSA-N 405.543 1.807 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1301137416 QPOGLHWMLKKONN-HZPDHXFCSA-N 419.526 1.477 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301259016 DXCIJTSDAJAIFV-ZWKOTPCHSA-N 402.543 1.666 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301473969 PFPINPIKWRTGSX-XLIONFOSSA-N 402.499 1.607 30 10 HDEE CC(C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1302651893 GSCMDYSBWTZEBP-SFHVURJKSA-N 421.527 1.639 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1303639818 GSMMVAWPFBJGOO-YOEHRIQHSA-N 415.519 1.997 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N([C@@H](C)c3ccccc3)C2=O)c1 1307290007 YEOXAGOHYCWZFN-AWEZNQCLSA-N 418.409 1.868 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1309494715 VDVFFSZWIKJZFF-MSOLQXFVSA-N 412.508 1.271 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)CC1 1309869838 FVCXUADQORCSEA-UHFFFAOYSA-N 400.884 1.511 30 10 HDEE C#CC[C@H](COC)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1312672357 ZIMWSTVUHZJGDS-LLVKDONJSA-N 408.307 1.609 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 1313096540 BWOAGSGOTOEOTE-IBGZPJMESA-N 400.523 1.943 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)cc2)CC1)c1ccc(S(N)(=O)=O)cc1 1313355755 BHLFUQLDEBEKKJ-HNNXBMFYSA-N 413.503 1.798 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCOC)CCOC1 1314136459 XHHGGLAPIVURQZ-FXAWDEMLSA-N 404.515 1.143 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1314532870 FFRXGGOERGTUSN-MRXNPFEDSA-N 416.507 1.172 30 10 HDEE C=CCn1c(C)nnc1S(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 1323092335 JOXWFHYBKTUXEA-UHFFFAOYSA-N 422.488 1.805 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(C#N)c(OC)c2)cc1 1324014519 MZMZIGFYMHLYQU-UHFFFAOYSA-N 403.460 1.560 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1351684509 OYUPLEMQJIKAHL-GOSISDBHSA-N 411.499 1.520 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1358869282 FZCJQVYXLSEEMM-ZWKOTPCHSA-N 402.543 1.473 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1358872164 POUBYHUMBJMAST-HUUCEWRRSA-N 405.524 1.598 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1358933464 UTZNHRNFXZMSLN-QGZVFWFLSA-N 400.527 1.507 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN(C)C(=O)OC(C)(C)C 1358937532 ZKLSLAJHSYDSLU-OAHLLOKOSA-N 406.531 1.989 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1358960480 FRELXXXGQRGDOD-IBGZPJMESA-N 422.514 1.719 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1c(CC)nn(C)c1CC)[C@H]1CCS(=O)(=O)C1 1358963676 MJPAROPMZCFJQW-HNNXBMFYSA-N 418.567 1.374 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358964142 UOMZRPITBXXWHW-IRXDYDNUSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1358969841 YEMGZDXMCYKRIZ-QGZVFWFLSA-N 421.567 1.558 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2Cc2nncn2C)n1 1359028537 VUWKMXXBZGRCOF-UHFFFAOYSA-N 423.525 1.595 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OC)C1 1359099996 VSDGPLWTWHJMNY-VQHPVUNQSA-N 410.540 1.387 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@@H]1CCOC1 1360487781 RQJZIDFDALLFLD-CRAIPNDOSA-N 412.494 1.712 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]1CS(=O)(=O)C2 1439607523 FKBBSLMHEUFWQA-GUYCJALGSA-N 424.404 1.901 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)CCCCC1 1441796365 JSTGZDXELQWZIM-MRXNPFEDSA-N 418.581 1.174 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c[nH]nc1I 1446138827 LSUUSPMKHOTPBU-SECBINFHSA-N 423.218 1.027 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cc(C=O)c(-c3ccccc3)n2)n1 1448853884 DKZRHQOTDZXVTD-UHFFFAOYSA-N 405.458 1.868 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](COC)C2CCOCC2)s1 1453315115 CFXKFLPHIWYAPC-OAHLLOKOSA-N 402.538 1.313 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1454063136 ITPPWQSYCHGLID-UHFFFAOYSA-N 400.382 1.542 30 10 HDEE C#CC[C@@H](COC)NC(=O)CNC(=O)c1ccccc1I 1454355862 SVBLXSHHLVWJEE-NSHDSACASA-N 400.216 1.176 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)NC[C@H]1CCCN(CC#N)C1 1457668025 CIYWNDXEQFEJQQ-IAGOWNOFSA-N 406.527 1.754 30 10 HDEE C[C@H](c1cccc(C#N)c1)N(C)CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1460274059 AMHVEZGZDPDBDK-MRXNPFEDSA-N 414.531 1.947 30 10 HDEE Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)c(=O)o1 1464297679 LJKMORHXYBKQRQ-LTGZKZEYSA-N 421.479 1.376 30 10 HDEE C#CCN(CC(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1)C(=O)OC(C)(C)C 1464813150 FXWVPUGLBXUOLR-CQSZACIVSA-N 409.508 1.724 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cn(C2CC2)c1=O 1464928194 WHCXVQXQGVIIRC-PEZBUJJGSA-N 421.251 1.202 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 1468956543 UJNHBUVYFWRIIS-GFCCVEGCSA-N 413.521 1.859 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1470201992 VTSOMZROBLHDJT-LMMKCTJWSA-N 405.520 1.896 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472192168 SOFQUKOJUCRAPD-QMTMVMCOSA-N 411.524 1.633 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1476224094 RVKMBLLPUHEINH-GOSISDBHSA-N 404.486 1.756 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1503669858 HLZMLZVKWRPQTK-MRXNPFEDSA-N 409.425 1.790 30 10 HDEE COC[C@H](F)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1504607907 KLIMYZCTOLAWPZ-QGZVFWFLSA-N 400.458 1.893 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC(=O)NCc1ccco1 1505058364 XFTRYGZEIMWXHV-VKJFTORMSA-N 416.482 1.650 30 10 HDEE N#CC1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCOCCCO)CC1 1505320012 BTMAGHBWKFMFTI-UHFFFAOYSA-N 423.477 1.733 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC(F)F)CCO1 1505322810 UGYWYECQOSERON-NSHDSACASA-N 411.800 1.104 30 10 HDEE C#CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507576924 NLLHTKUWAWTREU-UHFFFAOYSA-N 410.478 1.187 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507622913 MWSNRPZCEQLLSY-HOCLYGCPSA-N 424.958 1.968 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507632538 MYAAAYWAGOHDEJ-GOSISDBHSA-N 405.568 1.657 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507636150 ZIWVPAZCICYIHM-WMZOPIPTSA-N 405.568 1.342 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507787137 CHFZCJLXCCJDNX-ZDUSSCGKSA-N 405.300 1.839 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(CC)CCS(C)(=O)=O 1507798027 MUJAZFHSIMCWFQ-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)CC)C1 1508122800 AQLROVOTWIFEBE-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE Cc1cn2c(n1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)CCC2 1511426284 VXVFHSBPTPDNMS-QRWLVFNGSA-N 414.489 1.941 30 10 HDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1515672969 ATNAFLNAJFKGTE-BBRMVZONSA-N 402.455 1.193 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1525467006 YSOZSAQRHOMKKP-JSGCOSHPSA-N 422.461 1.652 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC1 1529311905 CGPAIPKXORKXLQ-DZGCQCFKSA-N 401.529 1.998 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1530083938 HTDLGZYCEITLSF-SFHVURJKSA-N 417.531 1.415 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1532954437 LZPPHTHRCPCBLT-SFHVURJKSA-N 412.515 1.969 30 10 HDEE CN1CC[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)[C@H](c2cnn(C)c2)C1 1538615836 XLSAWMZUPOHYGJ-MSOLQXFVSA-N 404.478 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C 1539029942 MZOHRXJRGDTFIT-KSMMKXTCSA-N 403.508 1.267 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@H]1C 1539029943 MZOHRXJRGDTFIT-NJSLBKSFSA-N 403.508 1.267 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1539369523 MFCIMVLQLLYFPW-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C=CCCOCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1540041594 BEFZADJMSPJBEW-SFTDATJTSA-N 419.526 1.382 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCOC1 1540170800 QXAPACDQKCWHDL-QGZVFWFLSA-N 423.539 1.136 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)C)C1 1540198637 OGVDARCZKVBEAI-ROUUACIJSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1540862369 AEUUSPMSNZIDGD-CABCVRRESA-N 414.514 1.208 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(C)ccc1F 1540869350 JZPRTDKMDJMAOU-MRXNPFEDSA-N 400.458 1.615 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)Cc1cccc(C(N)=O)c1 1540901661 LOHKJMLMYGXBTQ-UHFFFAOYSA-N 403.508 1.492 30 10 HDEE Cc1noc(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1543407006 ABUVMNLXALWVLW-UHFFFAOYSA-N 414.491 1.951 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C(=O)/C=C\c1ccc(F)cc1 1545832966 HEYQYGRMQIAZID-IMTHGLKYSA-N 411.477 1.813 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)noc2C)CCO1 1554442376 ALGGUDTYPWTGCK-SFHVURJKSA-N 421.461 1.421 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1554462342 COBZLKJKCPYAJY-UHFFFAOYSA-N 418.523 1.214 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H]1OC 1555787868 RZAPKFLHHSIEQV-HDICACEKSA-N 401.467 1.066 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(OC(F)F)CC1 1556641855 PWIQMMHSMNMBMH-LMWSTFAQSA-N 401.435 1.892 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(C)c(C)c2)CCO1 1557532525 AHMDDZFUQRMLKJ-SFHVURJKSA-N 424.505 1.851 30 10 HDEE COC[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cccc(OC)c1 1559010604 FVGMNIKPXDQZIA-SFHVURJKSA-N 403.460 1.349 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cccc(F)n3)CC2)c1 1561585377 HLVYFKUTHDWDGB-UHFFFAOYSA-N 404.467 1.647 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@H]1C(F)(F)F 1564720378 ABHGTCQHEDPEGJ-NWDGAFQWSA-N 421.420 1.361 30 10 HDEE C[Si](C)(C)c1ccc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1565087708 CKGPTNFLJFGCQE-UHFFFAOYSA-N 411.538 1.175 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 1586493716 DCYQBDVMPKPGRQ-UHFFFAOYSA-N 404.467 1.736 30 10 HDEE COCCNS(=O)(=O)c1cccc(NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)c1 1587439528 RLBPLBJFXWVUAI-KRWDZBQOSA-N 412.471 1.804 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1587837351 AZCVTVUVEXPPBW-UHFFFAOYSA-N 409.538 1.441 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1588138289 BWAQEGZEVNKQFK-NYUBLWNDSA-N 416.547 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CN(CC(C)C)CCO1 1588620468 VILICHWCOLCANE-SFHVURJKSA-N 400.527 1.716 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1S(=O)(=O)NCC#N 1588776312 YGUSDMKRJMLBIU-LLVKDONJSA-N 415.340 1.085 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCCOC)CC1 1593887194 XRKGKJAUBPRYPU-AWEZNQCLSA-N 418.947 1.565 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1594803493 VPTSNSSJDGOGCC-GOSISDBHSA-N 414.510 1.694 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1)C1CC1 1595054094 AKMYQHPJGIHRSL-OCCSQVGLSA-N 402.467 1.759 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1595561786 BWDVNGUEWMCFPC-UHFFFAOYSA-N 419.489 1.301 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCC(F)(F)F 1595753376 HSPOURWHHDULQZ-UHFFFAOYSA-N 423.461 1.504 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)C1 1595791334 ZWBSTTCHVQQNOB-SBUREZEXSA-N 408.502 1.589 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccccn1)C1CCN(C(=O)OC(C)(C)C)CC1 1611645504 YPZUVXLBKRNWIL-UHFFFAOYSA-N 400.479 1.673 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1615094843 HTRJJPIMVMJDQC-INIZCTEOSA-N 409.494 1.387 30 10 HDEE CCn1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)c1=O 1615729566 MSLABFLKAKXPCO-UZLBHIALSA-N 400.458 1.844 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cn1 1617916902 LSSJKIROWVHQHJ-KRWDZBQOSA-N 400.460 1.417 30 10 HDEE N#C[C@]12CN(C(=O)c3nccnc3Sc3ccccc3)C[C@H]1CS(=O)(=O)C2 1618171657 GZMJQEWRVQDIMN-SCLBCKFNSA-N 400.485 1.638 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1619980316 HRBOWMWHHQCPRS-HNNXBMFYSA-N 412.494 1.889 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C1 1620153265 RMPQILOGIVAWHC-MRXNPFEDSA-N 401.492 1.355 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)Nc1nc2n(c1C#N)CCOC2 1623340154 HNNVVDPXVZVURS-MRXNPFEDSA-N 410.409 1.591 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1623494381 HURPDLGZFHDZDT-NJYVYQBISA-N 416.497 1.414 30 10 HDEE N#Cc1c(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)[nH]c2ccccc12 1623788310 AYGMWMPZVSEYOE-CQSZACIVSA-N 402.476 1.306 30 10 HDEE CC(=O)C[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1625026139 MZTYSGBXTCYVEC-JWRWLIQVSA-N 405.495 1.980 30 10 HDEE Cn1ncnc1CCCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1627589768 LWYXDOLMRZVAJM-UHFFFAOYSA-N 418.523 1.163 30 10 HDEE C#CCN(C)CCCNC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628820218 NAMNKNFBPVBDNB-AZUAARDMSA-N 421.563 1.005 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1632031609 MBMOXVWPOXLTKA-UHFFFAOYSA-N 418.469 1.718 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 1632228980 XHOMPEHRRNNBMN-SFHVURJKSA-N 416.396 1.422 30 10 HDEE C[C@H](O)C[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1633711181 UVYPKDORGHWLFI-YFUGFCHXSA-N 407.511 1.772 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1633740321 OKCWPSFCUBWYGU-QGZVFWFLSA-N 424.906 1.860 30 10 HDEE CC(C)(C)CNC(=O)c1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1637514399 SVHZAFHREBMVSJ-UHFFFAOYSA-N 409.446 1.294 30 10 HDEE C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS1(=O)=O 1638499166 FEAUJFMUGHJYJW-GXTWGEPZSA-N 409.895 1.600 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)Nc3c(C)cccc3S2(=O)=O)c1 1641332864 XVYZITUBWKYUHF-UHFFFAOYSA-N 412.427 1.861 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CC(C(=O)OC)C3)C2)c1 1645182713 BILPVFLYELNHGU-BQIYRTECSA-N 419.499 1.714 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1646576305 OZXRCVMZWJIONW-WMZOPIPTSA-N 405.520 1.088 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)c1=O 1647933295 UDBZNFJMEZDWAM-UHFFFAOYSA-N 403.442 1.378 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1652331863 JVODHAYMCMWADA-KRWDZBQOSA-N 413.503 1.872 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 1657129110 PKUNYZDJPGMTCR-UHFFFAOYSA-N 410.452 1.491 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)OC 1663618290 SWWNCYYOHNOXOC-CYBMUJFWSA-N 424.397 1.001 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CCOCC1 1664935383 VPHIPMHLUOEHEH-UHFFFAOYSA-N 418.537 1.860 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1670587924 HXZQNDPXJKSVMA-OALUTQOASA-N 424.519 1.324 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)CC1 1672443768 WRQPFXMZMDIYGC-FUHWJXTLSA-N 408.499 1.257 30 10 HDEE C#CCSCCNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1679159915 VVHYJWONPLQADW-HNNXBMFYSA-N 409.552 1.717 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3ccccc3CCC[C@H]2C)CC1 1681375691 ISQADPQZVJXJPS-APWZRJJASA-N 404.536 1.495 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1682700430 CWKRZTOKVMBVOV-IBGZPJMESA-N 404.511 1.474 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1682964546 VBJZJEZZQTXPOC-UHFFFAOYSA-N 412.943 1.311 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(C(C)(C)O)c1)[C@H]1CCS(=O)(=O)C1 1689991896 DQRMALQJFOHOLK-SFHVURJKSA-N 416.547 1.743 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1690083938 QVASSCPODGAPLS-UHFFFAOYSA-N 411.915 1.519 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1sc(C)nc1C 1690102610 QEMIHJTXQWFKFI-OAHLLOKOSA-N 402.524 1.631 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2CC2(O)CCC2)n1 1690109038 DMPBFPJCFFUQMQ-QGZVFWFLSA-N 414.510 1.180 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)nc2)CC1 1690143736 AFTJJARZBFZRFQ-UHFFFAOYSA-N 407.522 1.631 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690451317 CZIDPQCXXJYXFS-HZPDHXFCSA-N 409.494 1.997 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1690452007 VARSJUDQXPTVQM-HUUCEWRRSA-N 413.544 1.634 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(COC)n1 1690515287 JPPMTHKPCNBQPE-LLVKDONJSA-N 400.530 1.162 30 10 HDEE C=CCN(c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(C)(=O)=O)C1CC1 1690553782 HDLXVKCXFIUBHB-HZPDHXFCSA-N 411.572 1.901 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1690561486 RRMFFKUOPTUQKJ-QFIPXVFZSA-N 412.538 1.676 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1690743594 DIIXACRXJMEUKH-INIZCTEOSA-N 403.556 1.761 30 10 HDEE C[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1692870512 ICZGVFYFQFLTCR-KSSFIOAISA-N 404.858 1.528 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1693230549 LCYYOAMBROBOHO-OALUTQOASA-N 413.478 1.700 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1693547703 KDKLPCYNQIEZTD-WMLDXEAASA-N 421.505 1.398 30 10 HDEE C[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1693808257 QGXIEGRBXGXAIC-DHBXDJLTSA-N 400.483 1.686 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1694613813 XICBIFOHSZUIGL-JKSUJKDBSA-N 413.526 1.807 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1698484185 GKLBZXVKLJRROH-CZIZESTLSA-N 403.446 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnc(C)s1 1705576011 CVEJYXJJQRYRFJ-UHFFFAOYSA-N 415.486 1.807 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1noc(CC)n1 1705590293 HBNKRGMLHLLCMJ-OAQYLSRUSA-N 412.494 1.581 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc2c(c1)OCCO2 1705626313 QXMOYIAYAIIFJG-UHFFFAOYSA-N 422.489 1.779 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CC1 1705630120 HLJPPPCYMTYFRM-UHFFFAOYSA-N 423.564 1.297 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCOC1 1705698954 ASOVRTVDIPVTSO-MLHJIOFPSA-N 424.567 1.634 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCS(=O)(=O)CC2CC2)CC1 1705764453 YXTIJJKMEQDXAB-HXUWFJFHSA-N 424.567 1.911 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1706068325 ICMLNUCBJWKLCF-SCLBCKFNSA-N 423.926 1.744 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H](C)C#N 1709010975 DXQYNRPWBWDNJK-ZDUSSCGKSA-N 402.503 1.365 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCOc1ccc2c(c1)OCO2 1722358900 NIFVYZTYMLDOIA-KXBFYZLASA-N 414.462 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)CC)CC1 1722446889 AVPVVYRIORRVBG-LAUBAEHRSA-N 403.527 1.647 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCOC2)C1 1722478207 RXMFOOYYYKVEQL-INIZCTEOSA-N 414.304 1.321 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCCC2)CC1 1722579038 HDFUSOPUYHVDEG-UHFFFAOYSA-N 400.527 1.849 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)COC)CC1 1722591733 RPHSHUMUCNYVGS-MRXNPFEDSA-N 418.542 1.563 30 10 HDEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722600405 ONJZWPMLQIWSNX-MRXNPFEDSA-N 424.505 1.457 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1722696891 CCBBPKOPBKFBPP-OAHLLOKOSA-N 405.462 1.468 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCOCC1 1723186905 MFWIMKRJYSEVGD-IBGZPJMESA-N 401.559 1.690 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1726713756 DCOATVWARDHOBE-MVZUJROASA-N 414.510 1.762 30 10 HDEE CCc1nnc(N2CCC(Oc3ccnc(C(N)=O)c3)CC2)n1Cc1ccc(C#N)o1 1727563493 NDWXMZPBEAODOV-UHFFFAOYSA-N 421.461 1.895 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730639378 XTCDIAPYXWIAKO-MBOZVWFJSA-N 404.515 1.094 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1740656768 MMGBHCJGKPDIMG-INIZCTEOSA-N 418.469 1.970 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(C)(C)N1CCOCC1 1740684374 PAOANHRTYBGBFB-UHFFFAOYSA-N 412.538 1.845 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740771688 MBJBBODJOGZEPR-OAHLLOKOSA-N 407.544 1.363 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740840326 VVUUMBUPHHHQMB-MRXNPFEDSA-N 410.540 1.124 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740945226 QBRXCTPLBXSEBQ-KRWDZBQOSA-N 405.462 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740957642 VNKFVASLVYTRKA-SFHVURJKSA-N 424.509 1.380 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(=O)CCC)CC1 1740958098 IHRLYROPBYVBCK-KRWDZBQOSA-N 418.542 1.707 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1c(F)cccc1F 1740958670 SNPSWAHBJCLFLI-INIZCTEOSA-N 418.448 1.836 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1743893575 BDUPGVJECKHEQC-HOCLYGCPSA-N 401.515 1.664 30 10 HDEE CCOCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C#N)C1 1747354950 UQBCOESZVBTBDF-ZDUSSCGKSA-N 409.288 1.811 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1747648252 ASOWANIREHAVBG-DVSFIDLUSA-N 423.477 1.015 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C2CC2)C1=O 1748638161 JWUXSVHNHROPDR-SZNDQCEHSA-N 400.527 1.665 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1748731651 IMXMJXXUFWRWGX-SNRMKQJTSA-N 407.540 1.309 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748818111 VSWSUZDNHAZGAI-ZWKOTPCHSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1748831241 HZBJNAXUXSBETE-UHFFFAOYSA-N 422.514 1.398 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCCN2CCOCC2)cc1 1750382412 FLGYOGJJKIUGDA-LJQANCHMSA-N 423.521 1.241 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1760099193 ZHLONVMBAKNAHO-HZPDHXFCSA-N 411.506 1.794 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2cnnn2C)c1 1760128942 WUSWHAYGBDCQRE-INIZCTEOSA-N 420.477 1.015 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760137635 LOMFNVYXAGZWEZ-KURKYZTESA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CCCOC(F)(F)F 1760196427 NHGWPFPFCAIFPU-KRWDZBQOSA-N 400.401 1.930 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1760218550 JCGGPGVAJWPINN-ZWKOTPCHSA-N 404.536 1.807 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCS(C)(=O)=O 1760411469 ADHBJVGKUSZMCA-CQSZACIVSA-N 418.585 1.263 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760431323 LMHMBRZWMNMEOL-OAHLLOKOSA-N 418.523 1.905 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760469164 WGWMBOOMHUPKBO-GVDBMIGSSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1760515515 WPRVKFCVNOOKRG-DLBZAZTESA-N 400.527 1.833 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](COc2ccccc2)C1 1760520951 FNHABMIAQSFVAR-FUHWJXTLSA-N 424.505 1.437 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760543127 PYYHGBBIHRPRJQ-BRWVUGGUSA-N 410.540 1.388 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)(F)F)C1 1760543315 RPLLYMUEWIAEHF-CHWSQXEVSA-N 403.405 1.937 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1760692781 DMRFZBPRRIQEAM-CMVXFASASA-N 414.535 1.752 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1763033946 AFVDNTYQPXICNC-FHLIZLRMSA-N 410.478 1.024 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCCCO)C2CC2)C1 1767509858 IWEUUXAVDKMSOW-QFIPXVFZSA-N 410.522 1.625 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cc(CO)nn1 1769043000 CNVXZRJNBYZNEQ-HXUWFJFHSA-N 409.498 1.588 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N(C)C 1769841497 DNCLATULWRHXMA-UHFFFAOYSA-N 414.466 1.519 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1769845006 GBEJBKQAWINLGO-AWEZNQCLSA-N 422.486 1.129 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1769899215 BAHKMFVMBAMILK-UHFFFAOYSA-N 421.549 1.847 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CCO1 1771537783 VJZHSGMHRVWIAH-LSDHHAIUSA-N 407.521 1.213 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H]1CCOC1 1772660117 LHSFZBFRPQRKLF-OAHLLOKOSA-N 420.491 1.500 30 10 HDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(c4ccc5nncn5n4)CC3)cn2c1 1851257469 SGWKFVSFAYVRIV-UHFFFAOYSA-N 407.825 1.259 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)CO2)nc1 1852469116 VZZKXSWMISTPKS-WMZOPIPTSA-N 410.405 1.804 30 10 HDEE N#Cc1ccc(CN2CC(=O)N(C(=O)[C@@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1853897560 QVQIXNJCKUCJMG-QGZVFWFLSA-N 409.467 1.873 30 10 HDEE Cc1noc(C)c1CC(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854291545 NQNVSTHHLLAAQX-SFHVURJKSA-N 409.446 1.381 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1 1854468970 ZGAICBCFTJDYLJ-MRXNPFEDSA-N 409.483 1.226 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C1=O 1854651725 VXQUAXMHPCKFOC-SJLPKXTDSA-N 401.511 1.022 30 10 HDEE COCCOc1cncc(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c1 1855075606 OZHZIHCLSFYYHZ-PKOBYXMFSA-N 412.490 1.864 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)c3ccc(N4CCOCC4)nn3)C2=O)CC1 1855614017 AEPUUQCBQZBPOS-SFHVURJKSA-N 412.494 1.070 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@@H](F)CC2CCC2)C1)C1CN(c2nccnc2C#N)C1 1856235126 BLMXEFMDAJCBST-RDJZCZTQSA-N 414.485 1.372 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@H](COc4cnccn4)C3)C2=O)ccn1 1856457338 NIKNISMLBLGZQS-YJBOKZPZSA-N 406.446 1.275 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)cc1 1856649660 PSECYWLRUKDYPC-UHFFFAOYSA-N 403.504 1.666 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2C[C@@H]2c2ccccn2)c2ccccc21 1856898315 RNWINUABLROGNT-LSDHHAIUSA-N 410.455 1.808 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)c(F)c1 1857097045 AVZUTULWZHBDKZ-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857151821 QWUOLFAAMXKTTH-WBVHZDCISA-N 402.474 1.370 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)Nc2ccccc2C#N)sc(C(N)=O)c1C 1860749765 OLIFUBOFAHSUJS-UHFFFAOYSA-N 400.416 1.781 30 10 HDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2F)C1=O 1863649244 NJHMULPQVNEQAD-UHFFFAOYSA-N 415.446 1.529 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1C[C@@H](C)O[C@H](C)C1 1870541405 DOUZAHVGXGEKPS-LMMKCTJWSA-N 419.522 1.318 30 10 HDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCC2(CC1)OCCO2 1870576275 ULRIIESBJKFTHW-UHFFFAOYSA-N 419.507 1.216 30 10 HDEE C=CCN=c1[nH]c(=NCCCCN(CC)CC)[nH]c(=NCCCCN(CC)CC)[nH]1 1871740027 DJHZWBCRLDUROX-UHFFFAOYSA-N 420.650 1.803 30 10 HDEE C=CCN([C@H](CC)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CC 1872275647 WISSQINSPHZDBN-LJQANCHMSA-N 408.568 1.993 30 10 HDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(N(CCOC)CCOC)ncnc21 1873562856 WJQORBVORSKOCG-UHFFFAOYSA-N 417.510 1.313 30 10 HDEE C=CCn1c(C(=O)N(C)C)cc2c(NCc3ccc(S(N)(=O)=O)cc3)ncnc21 1875230039 MEDPXIBKHDSZKB-UHFFFAOYSA-N 414.491 1.579 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccn4ccnc34)CC2)CC1 1889365360 HVOWJGAQSNDWFH-UHFFFAOYSA-N 409.534 1.596 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889950675 HPSUDWQXRKBRSM-KRWDZBQOSA-N 417.425 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2011939020 GZVVBZONDHTVEB-FEGUVQJSSA-N 422.331 1.909 30 10 HDEE C=CCC1(C(=O)O)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2029231381 VFZOUMQOPWLPLK-UHFFFAOYSA-N 406.460 1.355 30 10 HDEE CCO[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2090631662 OLSFXZWDUPVBLS-QGZVFWFLSA-N 423.491 1.334 30 10 HDEE CN(Cc1cnn(C)n1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116150181 MXJMHFPADGCYMQ-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE CO[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)N(C(=O)OC(C)(C)C)C1 2118172035 YLSWMEJQKMSMGK-NWDGAFQWSA-N 401.510 1.922 30 10 HDEE COC(=O)CS(=O)(=O)N(C)Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157038024 JLONWJSYIDWBHP-UHFFFAOYSA-N 403.331 1.290 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](CCNS(=O)(=O)N2CC[C@@H](C#N)C2)O1 2181216253 QJAPVZYSSYLSSU-QLFBSQMISA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccc1Br)C(=O)NCC#CCO 2221683878 URTXEFJUZRPDRH-OAHLLOKOSA-N 411.296 1.997 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2243370424 OIOMWWXSEHKOIP-ZDUSSCGKSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2243388974 PBSMGWPNFLIJPW-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243715273 WNHKJQDDTZLJLU-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247836121 XADBZJWALPLWJN-UHFFFAOYSA-N 418.303 1.373 30 10 HDEE C[C@H](CN(C)C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352384 DOHUPIXYDAEWAJ-SNVBAGLBSA-N 408.782 1.929 30 10 HDEE C[C@H](N)C[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267370444 MBPFQTNQOURHPX-JUZXBQNTSA-N 408.376 1.181 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C1CNC1 2267703997 GKSQQGGISSCVDR-VIFPVBQESA-N 406.766 1.587 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267716045 HFWQITMTWKRKRM-CCGUKBGLSA-N 408.376 1.181 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@@H]3CCO)c2Cl)OC1(C)C 2281940595 RCWDJWZUHKJOFX-NSHDSACASA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@H]3COC[C@@H]3O)sc2Cl)OC1(C)C 2281968758 FWTXKPCWXLVWDH-JQWIXIFHSA-N 401.721 1.828 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CC[C@H]3CNC4)cc2Cl)OC1(C)C 2282304408 KFTOOWAXZBVLSG-MGPLVRAMSA-N 418.777 1.731 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C2OCCO2)C1 2282313618 NQMGREJXZMZMRB-HNNXBMFYSA-N 423.340 1.678 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCC[C@@H](C4OCCO4)C3)c2)OC1(C)C 2282353390 HIMFBOWUDOBBQM-CQSZACIVSA-N 424.328 1.154 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H](O)C2CC2)OC1(C)C 2282408010 DXBHHXCERNWALB-ZDUSSCGKSA-N 402.347 1.023 30 10 HDEE CC1(C)CNCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282414739 WYSIKNQNUGHFLP-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282492348 OPSXEECEQYNWIJ-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H](CO)C2)OC1(C)C 2282493897 WCXDIQIXNYAKNG-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CCC(N)CC2)OC1(C)C 2282497876 WDVNBJLKDHGWKH-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1O 2282497937 WXFTWVYQLUBZEO-QWHCGFSZSA-N 401.359 1.626 30 10 HDEE C=CCCOCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501960 DVMSVGRXKAWOEA-UHFFFAOYSA-N 402.347 1.454 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282689097 DEWLYWHTDRQUHZ-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC[C@@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282841845 QGNNFEMMVLHURH-VXGBXAGGSA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC(C)(C)S(C)(=O)=O)OC1(C)C 2282852690 SINMOEUJWCFQOY-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282869332 AWEMCZKSRMZXAD-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@](C)(O)CO2)OC1(C)C 2282873155 HFHXTHSTXYSDHT-INIZCTEOSA-N 403.693 1.326 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CNC1 2282873251 IZZYBLHLTMVJTB-UHFFFAOYSA-N 400.737 1.527 30 10 HDEE CC1([C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(=O)O)CC1 2284413426 KFYUHNTXZAYIGJ-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2287380192 SVBNFNZAQJSCSL-QWHCGFSZSA-N 401.529 1.348 30 10 HDEE CC(C)(CN)OCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2295843161 VCJZJIHILCFZRF-UHFFFAOYSA-N 404.363 1.080 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1C 2300293695 LATSBXXRNAYADY-OLZOCXBDSA-N 420.319 1.423 30 10 HDEE COc1cc(C=Nn2cnnc2SCC(N)=O)ccc1OC(=O)c1ccccc1 2321261043 WOTRJAXVWFAJMF-UHFFFAOYSA-N 411.443 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](N)(C#CC1(S(C)(=O)=O)CCC1)CS2 2342073922 IJCUBBUNGGGYJK-MRXNPFEDSA-N 400.566 1.781 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3C[C@H]3CC(=O)O)s2)OC1(C)C 2360944427 RVKYPSHYGHLIEA-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365198608 HPZVVFTUCPHBRA-UHFFFAOYSA-N 400.541 1.619 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC12CN(C(=O)OC(C)(C)C)C2 2365208459 CKTWJLREPPGJFI-LIRRHRJNSA-N 400.541 1.163 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C 2365210559 KRPGNHAAMMBRCA-GJZGRUSLSA-N 415.581 1.994 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CO[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367787886 MHLVOMWVLBDFCK-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2367791862 KPFUMZYIZJJBGV-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367803714 MYKKDUIJCMWPHR-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367808437 CNSNFVKTQGRACT-OWCLPIDISA-N 400.541 1.306 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1C[C@H]2OCCN(C(=O)OC(C)(C)C)[C@@H]2C1 2368866733 HYIVQRQIBQEXFI-QKPAOTATSA-N 401.529 1.868 30 10 HDEE Cn1ccc(=O)n(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1=O 2377271139 HMACCNHKAMMEGM-UHFFFAOYSA-N 421.100 1.657 30 10 HDEE CCOc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc2c(C#N)cnn2C)cc1 16893307 ZJNUEPWXUWSNJB-LBPRGKRZSA-N 419.463 1.071 30 10 HDEE COc1cc(/C=C\C(=O)OCC(=O)NC(=O)NC2CCCC2)ccc1OCC#N 35332650 DRALTZGFWJOUNH-CLFYSBASSA-N 401.419 1.922 30 10 HDEE C=CCn1c(C)c(CC(=O)NC[C@@H]2CCCO2)c(=O)n2nc(-c3ccccc3)nc12 64813578 KERBKSWADQBUEF-KRWDZBQOSA-N 407.474 1.890 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc23)CC1 116773633 BUSSCCDVDCXKQZ-UHFFFAOYSA-N 403.446 1.298 30 10 HDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 253530212 ODJLBQGVINUMMR-PWMNKVPJSA-N 404.503 1.898 30 10 HDEE biogenic O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1F 254609108 XDTGBRSBDMCCIP-OLZOCXBDSA-N 418.443 1.821 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 432957127 AGJGBDFCONWVQY-KRWDZBQOSA-N 421.339 1.474 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 434842063 NTSGNUKEDHVWIX-CRAIPNDOSA-N 415.563 1.790 30 10 HDEE C[C@@H]1O[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1C 438403772 VHZCWVDRUUQNOL-PMPSAXMXSA-N 405.520 1.983 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460779879 FQKNSHPUEPSKGB-UHFFFAOYSA-N 413.415 1.735 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463885127 BZPBDBWBLBRSOM-JYBIWHBTSA-N 409.442 1.090 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1ccc(Cl)c(C#N)c1 465506844 VWHXCHZLDLTVLT-LBPRGKRZSA-N 402.867 1.773 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@H](C)C#N)C1 473322931 FVSGPIPWPZKGTP-ZIAGYGMSSA-N 403.508 1.797 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477872154 APQXGSGNQTXATD-UHFFFAOYSA-N 414.554 1.407 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(c4ccccc4)CC3)CC2)c1 479667942 UXACOGPLHISKTE-UHFFFAOYSA-N 418.501 1.387 30 10 HDEE CCOC(=O)C1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1 481021639 VTXOTSAQGNIJEF-CYBMUJFWSA-N 409.464 1.294 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(C3CC3)c3cc(Cl)ccc32)C1=O 486648418 DOLHESAXTXDDFP-UHFFFAOYSA-N 402.838 1.632 30 10 HDEE CN1CC(=O)N(CCCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 503687056 CSXXNOKCVKYSMJ-OAHLLOKOSA-N 415.475 1.072 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508908014 QPOUQLSQIUMNGZ-CRAIPNDOSA-N 421.461 1.970 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 516325126 IWOYELZTMIZQKW-ARFHVFGLSA-N 418.519 1.648 30 10 HDEE Cn1cc(C#N)c(=O)n(CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)c1=O 535693326 KEOSCGNTHYFJSW-FQEVSTJZSA-N 400.438 1.593 30 10 HDEE C[C@H]1C[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 539999607 SJRHSYXMXZFOOA-HOTGVXAUSA-N 406.508 1.389 30 10 HDEE COc1cccc(C(=O)NCC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 542985867 PTDUJQBUEHLZQY-GOSISDBHSA-N 424.482 1.837 30 10 HDEE CN1CC(=O)N(c2cccc(NC(=O)N3CCN(c4ncccc4C#N)CC3)c2)C1=O 603828626 NEYXSYAACJWTNW-UHFFFAOYSA-N 419.445 1.706 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN3CCCCC3)cc2)CC1 604166301 PSQWMPWGQFUMSF-UHFFFAOYSA-N 413.566 1.802 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CC1 605409619 OMIMBWRFFANEPD-UHFFFAOYSA-N 413.522 1.764 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)nc1 612806650 DMSHZDSTMYKGGU-UHFFFAOYSA-N 416.489 1.721 30 10 HDEE C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(=O)N(C)CCC#N 728844578 LDILIHJQQNXSAT-LBPRGKRZSA-N 405.410 1.962 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)[C@@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 729808350 AQZQQEQHLHYXBS-ZJPYXAASSA-N 406.548 1.924 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Br)c1 731850991 BLGHUJKVKJHCMT-CCEZHUSRSA-N 414.281 1.562 30 10 HDEE C=C(COC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C(=O)OCC 734027814 ZJLUNBUFVFLZAK-UHFFFAOYSA-N 420.281 1.732 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1cc(S(N)(=O)=O)ccc1F 734551019 DFZPRWNWSFBDRJ-UHFFFAOYSA-N 402.407 1.967 30 10 HDEE COc1ccc2c(c1)C(=NOCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)C(=O)N2 736608867 QCUZJBJNMXFAPL-ZDUSSCGKSA-N 423.491 1.040 30 10 HDEE COC(=O)[C@@H](NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(C#N)cc1 740001423 SRGHSOZUOQHYGY-IBGZPJMESA-N 421.519 1.335 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)ccc1F 742820514 JWQJHXLQADRIJZ-UHFFFAOYSA-N 411.499 1.761 30 10 HDEE C#CCN1CCN(C(=O)CN(CCO)Cc2cc(Br)cs2)CC1 755178388 AZVMVXXYRXUEIE-UHFFFAOYSA-N 400.342 1.082 30 10 HDEE Cn1cc(-c2nc3ccccn3c2NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cn1 757250072 DHLZZBNIVKKULV-ZPHPHTNESA-N 420.433 1.383 30 10 HDEE COc1ccc(OC)c(CCCNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 759416335 AWQAEBRSFSFQIK-VHEBQXMUSA-N 402.451 1.462 30 10 HDEE C#CCN(C(=O)N[C@@H](Cc1nc(C)no1)c1ccccc1)[C@H]1CCS(=O)(=O)C1 759871681 WEMRUJHHGFOUHC-IRXDYDNUSA-N 402.476 1.494 30 10 HDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(C2CC2)[C@@H](C#N)C1 761269356 AEEIARVXDMGAKR-INIZCTEOSA-N 404.492 1.405 30 10 HDEE CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 761679155 PTPPQBSMLZHZIN-DNZUHHBVSA-N 406.483 1.666 30 10 HDEE CCn1nccc1S(=O)(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 769856605 ZGCSFNFMVVDCGG-XDJHFCHBSA-N 411.509 1.517 30 10 HDEE CC(C)(C)n1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)n1 780502834 ZIUSHRUBNDKEQX-QINSGFPZSA-N 410.272 1.657 30 10 HDEE N#CC1(NC(=O)COC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CCC1 784208745 IFGMDCMWHKYSEX-MRXNPFEDSA-N 401.438 1.712 30 10 HDEE C#CCN(C(=O)c1scc(C)c1I)[C@H]1CCS(=O)(=O)C1 786812451 IKOZBXAZPDEXJR-JTQLQIEISA-N 423.297 1.924 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)n(C2CCCC2)c1C 786862112 XZYMRZJEADOCOK-SFHVURJKSA-N 413.478 1.911 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 793633904 UKZMRGTWJLTPNY-MRXNPFEDSA-N 404.442 1.733 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C 798750623 AZCSPCUCIZNLQC-KXBFYZLASA-N 412.446 1.813 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)cc1C#N 804082902 FZLIPUPKYSQINU-QGZVFWFLSA-N 422.485 1.834 30 10 HDEE C#CC[C@H](Cc1ccccc1)Nc1ccc(S(=O)(=O)N(C)C)cc1S(N)(=O)=O 804809017 ZNCQKYQNXBITAX-MRXNPFEDSA-N 421.544 1.631 30 10 HDEE C#CCSCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 810428538 FJOFORDADJFJPX-CYMYHSCOSA-N 420.534 1.948 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccc(Cl)cc1 810473227 HLTICOPIWPRLJW-SFHVURJKSA-N 415.881 1.298 30 10 HDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC)[C@@H]1CCS(=O)(=O)C1 812031910 BLURRXVDPANGTF-QGZVFWFLSA-N 402.520 1.719 30 10 HDEE Cc1nn(C)cc1C=NNc1nc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n[nH]1 1084006800 RIUWLRLTHDGREE-UHFFFAOYSA-N 415.439 1.932 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 1125263105 GKRREGKEFWOPHE-UHFFFAOYSA-N 402.451 1.376 30 10 HDEE Cn1ncc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1I 1134302826 XANRDZPQDGHEQH-UHFFFAOYSA-N 401.204 1.503 30 10 HDEE C#CCOc1ccc(NC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)cc1 1136768588 ISVOYWMLDTUYRA-UHFFFAOYSA-N 407.430 1.372 30 10 HDEE COc1c(F)cc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1S(N)(=O)=O 1138309028 JISNBJFVKVGOCE-HXUWFJFHSA-N 417.462 1.592 30 10 HDEE O=C(Cc1csc(CCC(F)(F)F)n1)NCCN/C(O)=C1/N=CC=CC1=O 1144429157 MZTNCMSJJWIWJH-PFONDFGASA-N 402.398 1.823 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[C@@H]1C(F)(F)F 1155676297 IJEGLCYFNUNEPW-WDEREUQCSA-N 402.377 1.454 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(COc4ccccc4F)on3)C2)c(=O)nc1O 1159489808 IGLYYHWFNZJKTB-UHFFFAOYSA-N 411.349 1.224 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)[C@@H](CO)C1 1190946063 VFSQIWRTNUDFGW-CYBMUJFWSA-N 415.899 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCCCC2)[C@@H](O)C1 1193903965 HPHWELHBESOJRU-GJZGRUSLSA-N 401.529 1.750 30 10 HDEE C=CCC1(O)CCN(CC(=O)NN2C(=O)N[C@](CC)(c3ccccc3)C2=O)CC1 1197920424 CNKPUQMZOJTCSF-OAQYLSRUSA-N 400.479 1.278 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1213332750 AANROPYZNWDKTL-AWEZNQCLSA-N 404.533 1.016 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)CC1 1214510952 XRMBTNJINZDBSM-UHFFFAOYSA-N 422.841 1.559 30 10 HDEE CC[C@H](CNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)NC(=O)OC(C)(C)C 1228742139 HHQANQSECRLXAE-OAHLLOKOSA-N 419.530 1.735 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@]34OCCC[C@H]3C4(F)F)C2=O)cc1 1248374777 FMFCHGZBBISVHR-FCEWJHQRSA-N 404.417 1.773 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286272874 CHHDRZUYFQIMQR-BBTUJRGHSA-N 405.543 1.356 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1286376305 JFVSUBQKGQFOSR-GJZGRUSLSA-N 402.476 1.090 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1CC[C@H](CO)O1 1286381531 MYUUNWHMFZJBIL-VVLHAWIVSA-N 419.526 1.658 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1286454495 YMJKNMWLUDVKMO-INIZCTEOSA-N 419.551 1.908 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286668452 ZGXXMDIURXWZSA-OAHLLOKOSA-N 424.509 1.742 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N(C)CC(=O)N1CCOCC1 1286709382 RSDTYMRQXZYMDJ-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C[C@@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291092313 GOVXKTCUMUMXAV-MEUCICPISA-N 424.509 1.831 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1295876662 ALZAZEJHBDMHQZ-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298577289 DXYZXYVPMQNODG-KOFUXLBCSA-N 416.482 1.129 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1298857812 HCRAFQWVKSZTNO-FQEVSTJZSA-N 401.490 1.836 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)c1ccn(C)n1 1299177402 BALGTGQHOOTCEM-BBRMVZONSA-N 403.508 1.751 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1300272977 OMXCCZGOLHRMNM-HZPDHXFCSA-N 404.540 1.682 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)(F)F 1300290746 OPNXMIAIXMZZTC-GFCCVEGCSA-N 423.395 1.853 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300423412 OWWRXMVFTLAUTL-MRXNPFEDSA-N 418.519 1.902 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300482221 DJBPVQIWOGHDDI-KGLIPLIRSA-N 416.494 1.627 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1300486975 CNODQQBHNUTTKJ-MRXNPFEDSA-N 405.524 1.453 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1300506127 NEAPTIKCFNSWEN-RHSMWYFYSA-N 415.475 1.269 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC 1300622488 ZQEDQPFCCCCJQJ-UHFFFAOYSA-N 414.491 1.488 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CC(=O)NCCC)CC1 1300686264 YXLYHLKNWOAMEQ-UHFFFAOYSA-N 400.914 1.880 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(C(N)=O)CCCC2)CC1 1300712303 OLZUTBQTYAPURX-MRXNPFEDSA-N 414.554 1.803 30 10 HDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1300844682 QKJHFTGMXDYIOU-NSHDSACASA-N 421.255 1.643 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1300948945 JLDRUDYUFCNXSO-HIFRSBDPSA-N 400.487 1.380 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1300994466 USJVVRXSOWGJKV-NRFANRHFSA-N 412.494 1.888 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1301118946 PLERIXONTPVNLO-UHFFFAOYSA-N 419.555 1.809 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cc(C)on2)nnc1[C@]1(OCC)CCOC1 1301518966 LFCGJYHTESVBPZ-IBGZPJMESA-N 404.471 1.165 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](CN2CCOCC2)C1 1301735862 CCWRVLBAIJHRJV-HZPDHXFCSA-N 417.934 1.582 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)CC(F)(F)F 1303635371 FCTXCESBOTYCOV-OLZOCXBDSA-N 401.437 1.852 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1305520026 ATIHFQTYRNFNMR-OPAMFIHVSA-N 422.537 1.863 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H]3[C@H](O)c3ccccc3)CC2)o1 1307987254 GZUPMKNFMFDTAD-PZJWPPBQSA-N 409.490 1.701 30 10 HDEE C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099344 FYJASEAHZIHOFN-IIMJZQEZSA-N 400.504 1.085 30 10 HDEE CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@H]1N(C)C 1309320246 BPTBZLUZHLPVGW-CHWSQXEVSA-N 404.355 1.987 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 1309696748 PNTWYPSLYLYXBX-UHFFFAOYSA-N 407.217 1.645 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C1(CNC(=O)OC(C)(C)C)CCOCC1 1312353022 AGTLAUFVZZMNEU-UHFFFAOYSA-N 419.544 1.303 30 10 HDEE C[C@@H]1CCCN(C(=O)NCCn2cnc(C#N)n2)[C@@H]1CCNC(=O)OC(C)(C)C 1312661003 HYQLIGJLNILALW-HUUCEWRRSA-N 405.503 1.875 30 10 HDEE COCCOC1(CNC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)CCOCC1 1312728598 MTOJYOGJJXBHKT-IBGZPJMESA-N 403.479 1.853 30 10 HDEE CCOCc1nnc(N(C)C[C@@H](C)C#N)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1314305256 XANLOKNEWVPZEJ-FTAMUGHTSA-N 412.494 1.218 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(O)CCN(C)C1 1315645501 BOFCAXRWLRDKFW-IIBYNOLFSA-N 414.510 1.528 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)C[C@H](C)O1 1315932191 CRJOGTAETQTVQM-HNAYVOBHSA-N 407.478 1.839 30 10 HDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)CC1 1316064385 BZZDUUCITDVQLZ-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE COC(=O)N1CCC(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 1354286589 UCGRFRJSCHAMBL-HEHNFIMWSA-N 422.507 1.916 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1ccc(S(C)(=O)=O)o1 1356276176 INGVIWCMMHBRBD-LQPUYASZSA-N 401.448 1.095 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1357947913 TZKYWEVCEVCMLM-ZDUSSCGKSA-N 419.956 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(C)=O 1358878080 PSZTUZOVKDWEBE-AWEZNQCLSA-N 403.508 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1358889716 FTMITOXGKRPARZ-RPTYLJJZSA-N 421.567 1.649 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358931559 FWQKCIJGYARRES-KRWDZBQOSA-N 407.478 1.150 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358967774 RUSWYKSDVGMUQO-FCEWJHQRSA-N 410.540 1.307 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2nncn2C)CC1 1359030095 NZBHVBDERALMLH-INIZCTEOSA-N 424.484 1.489 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)NC(C)C)CC1 1359031778 OWPVQVQCXXVYLB-UHFFFAOYSA-N 405.506 1.487 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)CCOC)CC1 1359045615 NVTWZSSQBZPJOP-NRFANRHFSA-N 405.543 1.230 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2ncnn2C(C)(C)C)CC1 1359047004 NKTGDXCMVCHVQD-UHFFFAOYSA-N 424.553 1.591 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359048513 SURXCNRKFLWGQP-KXBFYZLASA-N 407.540 1.167 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359049766 VUUWCQDYZKVRRA-ZACQAIPSSA-N 421.567 1.331 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359060142 LYOABCRRQMPDDI-OXJNMPFZSA-N 419.551 1.151 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NC(C)C 1359065241 LPHNDDYCLSFYAV-NHCUHLMSSA-N 403.527 1.835 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1359224760 BQMYTBQEDIPXGJ-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H]1C 1359281997 OQRMBZDYSVVGOB-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1359300040 SBBVVVPTIGFFMV-IAGYGMIVSA-N 419.526 1.595 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1359304807 KGYLZLAPHVPFHC-AEFFLSMTSA-N 402.543 1.570 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359332840 IFRCMXAHGNHTIK-IBGZPJMESA-N 409.556 1.326 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1359341265 QRCGIDWOXOPLET-GOSISDBHSA-N 417.583 1.899 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1359471282 OYEYGYAHFIYBJL-GDBMZVCRSA-N 420.468 1.687 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCCC1(C)C 1360671026 BDMYKRMEXUHNOX-LIRRHRJNSA-N 424.571 1.569 30 10 HDEE C=CCN(C(=O)c1nc(N(C)C)ncc1Br)[C@@H]1CCS(=O)(=O)C1 1435067819 BDMPEAKUGXDZAX-SNVBAGLBSA-N 403.302 1.120 30 10 HDEE C=CCn1cc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)CC2)nn1 1435397423 VFWNQGSVHQGBHC-UHFFFAOYSA-N 415.450 1.088 30 10 HDEE COc1ccccc1Cn1c(SCC(=O)NCC#CCO)nc2ccccc2c1=O 1448433880 HCCRMRSKMLXSDU-UHFFFAOYSA-N 423.494 1.657 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1451224311 ADYFEVZKOOGWSO-KDOFPFPSSA-N 408.524 1.397 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)c(Cl)cc1Cl 1452856104 FDTXJFUJEBFYAM-LLVKDONJSA-N 405.303 1.938 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN1CCCC1=O 1452909227 FUHAWLUVGBNOQV-OAHLLOKOSA-N 406.508 1.023 30 10 HDEE COC(CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)(OC)c1ccccc1 1454275548 SHARGVKVEIFGRU-UHFFFAOYSA-N 417.487 1.377 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OC 1454717333 MYRBAOCDVRDCBF-ZDUSSCGKSA-N 400.453 1.313 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)C1 1455706862 VRAKJBPNFBHMIN-GOSISDBHSA-N 415.538 1.823 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1456474104 HECCYHGCAAVDFL-BHYGNILZSA-N 423.560 1.688 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 1458937458 XSUAGWKNFMHHKN-IIBYNOLFSA-N 414.462 1.961 30 10 HDEE C#C[C@@](C)(CC)N[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1460133513 ULYDLXOSDCTIGH-JXFKEZNVSA-N 407.536 1.734 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1 1461541147 FPUODCJSZWZRCS-UHFFFAOYSA-N 406.471 1.867 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)[C@H]1CCS(=O)(=O)C1 1464385172 SDTXTAKWYNODIA-KRWDZBQOSA-N 401.488 1.964 30 10 HDEE CN(C)C(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1464788073 GUZQTMSQHUQCNU-CYBMUJFWSA-N 414.853 1.488 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3C(=O)CCC3=O)C2)C1 1465199874 UQCNQENDVYSMOP-DMAKZNTKSA-N 404.467 1.038 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1)C(=O)OC 1468876073 UPDPJTLXCRJQJF-INIZCTEOSA-N 402.834 1.875 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2)c1C#N 1470899601 YETACCWJFFCUGI-OAHLLOKOSA-N 417.539 1.445 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN(Cc2ccc(OC)cc2)CC1 1473620351 GKWLOAOKAWBWQZ-UHFFFAOYSA-N 415.534 1.616 30 10 HDEE CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056425 BQRGGMNSDQKSCS-JKSUJKDBSA-N 402.432 1.679 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1 1476388458 GJKZTZICGIDJPU-KOMQPUFPSA-N 411.462 1.881 30 10 HDEE C#CCN(C(=O)NC[C@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCS(=O)(=O)C1 1479142808 QYTFMLVPTQGYJH-HOCLYGCPSA-N 412.533 1.026 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)OCc2ccccc2)CC1 1479597120 QJHJMXIUPNUCSM-UHFFFAOYSA-N 408.462 1.711 30 10 HDEE COCc1ccccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1504646136 AAVMYBXGOQGIHR-YJBOKZPZSA-N 417.535 1.971 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1507621434 AIXPZGJQCIUSFR-CYBMUJFWSA-N 422.580 1.665 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507623940 ZNTFWNMZEGCCNZ-CYBMUJFWSA-N 408.553 1.411 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(OC)CCOC1 1507668571 IXEGMFSRGLRFBM-QFIPXVFZSA-N 408.458 1.942 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1507687984 WXIIFGOHDBQJLA-FQEVSTJZSA-N 417.517 1.810 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@H]2OC)C1 1508131945 PIZZMSXKNKKDQE-KZNAEPCWSA-N 419.526 1.233 30 10 HDEE CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)CC2(C#N)CCOCC2)CC1 1516291175 BJVRCJLLZSOMHU-HXUWFJFHSA-N 410.518 1.819 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1519400359 AMPJYMJOIVSYDD-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE C=C(C)C(C)(C)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1519541750 UGXUQTFPDYPXOY-JSEZXORMSA-N 400.479 1.440 30 10 HDEE Cn1cc(I)c(CNC(=O)Cc2cccc(OCC#N)c2)n1 1521789417 LCZDBUIKBYUZTA-UHFFFAOYSA-N 410.215 1.786 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)Nc2cc(C)c(C#N)cn2)C1=O 1530235421 VXFGJFLWJMMQGR-OAQYLSRUSA-N 407.430 1.984 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1537882173 NZAZIIMNUIAAHH-SFHVURJKSA-N 414.506 1.319 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1539178230 FQRPIQUJGCEAGI-STQMWFEESA-N 409.537 1.462 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(O)CCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539220025 GVKFFFVHMOTWIB-WRWLIDTKSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@](C)=O)CC1 1539332537 VACMDDKFGYYYGR-PMERELPUSA-N 420.542 1.891 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OCC)n1Cc1nnn(C)n1 1539336733 DKFWMQTXNJPCJI-UHFFFAOYSA-N 420.477 1.291 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1539368969 FXGIAOSIIZEFII-UWVAXJGDSA-N 422.551 1.368 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCOc1ccc2c(c1)OCO2 1539408950 IYBYZXJLKOFNAE-UHFFFAOYSA-N 424.461 1.572 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@@H]2CCOC2)CC1 1539427382 CTWGLJPKAJALIM-QGZVFWFLSA-N 409.494 1.107 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NC3(c4cccc(C#N)c4)CCOCC3)CCC2=O)cn1 1539535525 LXOJUCBBMAHBNG-QGZVFWFLSA-N 407.474 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](OC)C(C)(C)C1 1540902284 FPERCCDJWCYHFN-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(NC(=O)C(C)C)CC2)s1 1541008774 WKZIPIMRMXPCGY-UHFFFAOYSA-N 413.565 1.518 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541804564 YHUNZBBIXXMESA-WBVHZDCISA-N 422.555 1.850 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(OC)c1 1542122127 NNWMSIVGXVTTJZ-BZROSYFNSA-N 415.446 1.722 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N1CCCCCC1 1543316020 UHPBSJQYFIULOY-UHFFFAOYSA-N 422.537 1.973 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCS(C)(=O)=O 1545546042 JGHZXBDMOPZICX-DOTOQJQBSA-N 424.571 1.029 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N1CCCCC1 1555670259 UMHOXTOIXJBHPG-SJORKVTESA-N 420.514 1.133 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@H](C)C1 1556310484 ZARBCVFGBMLISI-OSIHPVMLSA-N 420.554 1.687 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@](C)(O)Cn1cc(C(F)(F)F)ccc1=O)C(=O)OC 1558382965 IRRKKYISLHOMEU-DYVFJYSZSA-N 404.385 1.632 30 10 HDEE C=CC1(CC(=O)NCc2nnc3ccc(N(C)C)nn23)CN(C(=O)OC(C)(C)C)C1 1558525284 IBCSCVOPYYMANU-UHFFFAOYSA-N 415.498 1.620 30 10 HDEE COc1ccc(Br)c([C@@H](CO)N(C)S(=O)(=O)N(C)[C@H](C)CC#N)c1 1561583373 HQCRBCHUKYJZPO-IAQYHMDHSA-N 420.329 1.902 30 10 HDEE C#C[C@H](NC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)[C@@H]1CCCO1 1564603009 JVTPSLMFRNIMOJ-SLBRECRISA-N 400.460 1.598 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCN(CC#N)CC2)C[C@@H]1[C@H]1CCCO1 1565814886 MAXINAPNCUYMDQ-RCCFBDPRSA-N 406.527 1.849 30 10 HDEE C=C[C@@H](O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1566660314 JSNMZQBVPUYLET-SNVBAGLBSA-N 409.327 1.281 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CCO)C2CCOCC2)s1 1567349810 PKNYXYKPSGSZLR-OAHLLOKOSA-N 402.538 1.049 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)C1=O 1568440066 LGYLHQAHURBHMV-HXUWFJFHSA-N 420.514 1.943 30 10 HDEE C#CCCCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1571705577 LJJVHNWROLASIC-JBCKWKTNSA-N 400.519 1.726 30 10 HDEE C=CCCO[C@@H](C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182047 AXOSHRSGOPSRFW-LSDHHAIUSA-N 404.529 1.508 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2C)C1=O 1585660702 UXQSRRWHHDJILR-UHFFFAOYSA-N 414.296 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1587317500 NWIAZMXTFIINRO-IAGOWNOFSA-N 404.511 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1587651017 HCPWMQIRPTVDAC-INIZCTEOSA-N 404.474 1.634 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1588138436 CNNRDHNIRZVNMA-SFHVURJKSA-N 421.526 1.977 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1588170745 MUWWLAGMBKRXIM-LJQANCHMSA-N 410.522 1.236 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1588613179 URDBRZAFMUGOPL-INIZCTEOSA-N 418.519 1.474 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1588628602 LQEZBKKEYOUMLO-UWJYYQICSA-N 412.494 1.549 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C(=O)NC)C1 1589581972 XJCJFIXGMHQMMO-NCOADZHNSA-N 405.499 1.062 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1593741894 ZQPPUWMQICNMSJ-KRWDZBQOSA-N 407.515 1.060 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1594783814 JEXKHVSVTJJQFO-QGZVFWFLSA-N 411.510 1.916 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1595556373 SQSMKFRYQSTPBE-OAHLLOKOSA-N 416.913 1.526 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](OC)C(C)(C)C1 1595608340 REZMOQIYCHHAMB-ZOBUZTSGSA-N 407.515 1.166 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1595805112 LCCQUVQUPFGVJJ-UHFFFAOYSA-N 417.535 1.603 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2N(C)C(=O)CO3)ccc1F 1596279084 YWPVQHSTWPIGHA-UHFFFAOYSA-N 419.434 1.898 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1596814622 XZWOFULFNSRDPA-ZDUSSCGKSA-N 415.454 1.444 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1596831462 NXSHNFFSAJXHQW-PMPSAXMXSA-N 423.539 1.319 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1 1611620941 CAIHCZMJFGMSCR-UWJYYQICSA-N 410.526 1.833 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C1CC1)N(C)C 1613558616 IDXICWWKFQDVIY-OXJNMPFZSA-N 405.522 1.979 30 10 HDEE CC[S@](=O)CCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1617438400 IGBFUISDYVGLNE-LJAQVGFWSA-N 413.551 1.592 30 10 HDEE C=CC[S@](=O)(=NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)c1ccccc1 1618589218 KPFGQHONHFXMDX-GDLZYMKVSA-N 411.491 1.975 30 10 HDEE N#Cc1cc(F)c(OC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(Br)c1 1618686684 YDTCSLATIJITBH-OXHZDVMGSA-N 423.194 1.528 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)COc3cccc(Br)c3C#N)CCN2C1=O 1621770429 RJNFTENRTSZJPO-ZDUSSCGKSA-N 421.251 1.194 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1625794344 HDXNOMGPOKZEGD-KRWDZBQOSA-N 422.894 1.317 30 10 HDEE CCOC(=O)CN(Cc1ccccc1O)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1627013819 KSKKFSRHOGUZCF-VXPUYCOJSA-N 401.419 1.200 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN(S(=O)(=O)CCCOC)CC3)cc21 1627746211 CNUOAGRGCAGJCP-UHFFFAOYSA-N 421.523 1.738 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)nc1 1629102411 ARJMNOJYTXZMQN-KRWDZBQOSA-N 402.495 1.841 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4CCOC[C@H]4C3)C2)C1 1632568525 PJXJQNREAXFBMO-CXIVCQEWSA-N 404.511 1.316 30 10 HDEE COc1cc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)sc1S(N)(=O)=O 1635881809 GIMXKTCXNKFARA-UHFFFAOYSA-N 424.479 1.377 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1639687839 MEPGBMSZEYJRHO-CJNGLKHVSA-N 414.549 1.605 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)n1 1639991827 HJIBDCGYPZZQOJ-UHFFFAOYSA-N 400.385 1.925 30 10 HDEE COC(=O)c1occc1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1640715340 KABPUMHKSZJMBH-LLVKDONJSA-N 405.432 1.200 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(N)=O 1640759881 SJPNJBVUIOIJST-KBPBESRZSA-N 402.923 1.478 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3CCC4(C3)OCCO4)ccc2c1=O 1640987682 KELQLFTYZBREJX-UHFFFAOYSA-N 416.503 1.050 30 10 HDEE C=CCOCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1641552684 WBYOEHYUZQWVET-OAGGEKHMSA-N 416.540 1.366 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1642663383 VAFKIQYEUAEOKH-ZWKOTPCHSA-N 411.543 1.796 30 10 HDEE C=CCC1(O)CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 1643202947 DWLGLAWSNFJSEJ-UHFFFAOYSA-N 411.480 1.523 30 10 HDEE COCc1ccc([C@H]2COCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)o1 1644601212 SSVPOGJOQKWDTF-RTBURBONSA-N 404.511 1.492 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)C2)nc1 1645084772 FIQYVDXQTZRFHA-CYBMUJFWSA-N 405.505 1.308 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1 1645144235 ZOLPHXZOBYTHAL-HZPDHXFCSA-N 401.488 1.527 30 10 HDEE N#Cc1cn(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c(=O)nc1O 1646147469 IKDWEBGBRLWYCC-UHFFFAOYSA-N 415.409 1.105 30 10 HDEE Cc1ccc2nc(CSCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cn2c1 1646439757 QQWTYLRGWPCFCW-KSSFIOAISA-N 404.517 1.273 30 10 HDEE CCOC(=O)COCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1647010905 HGYYGTUEPZQREM-CHWWFWEZSA-N 409.483 1.469 30 10 HDEE CO[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1C(F)(F)F 1648790451 JJZBQEHMHMZXEQ-CQSZACIVSA-N 408.336 1.610 30 10 HDEE COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)CC1CCCC1 1653436340 KXZVFVKYWSJJBK-AWEZNQCLSA-N 407.492 1.211 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@](C#N)(c2ccccn2)C1 1659720340 TYCUPHNGVKKTMC-GCJKJVERSA-N 405.506 1.466 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)OCC 1664951118 HKSYFAHIPMSIMI-AWEZNQCLSA-N 407.897 1.468 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(OCCS(=O)(=O)CC)cc2)CC1 1665602711 FZDBOFYDOWBRFZ-UHFFFAOYSA-N 417.549 1.592 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1666217745 RGKLZBJOXAKJPM-UHFFFAOYSA-N 403.254 1.050 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2Br)CC1 1668670298 TXUYTCVQLAEZTB-UHFFFAOYSA-N 401.282 1.175 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)Nc2ccc(C(=O)OC)cc2OCCOC)C1=O 1673798141 ZVWDFWNQCUCKEM-INIZCTEOSA-N 405.451 1.749 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccnn2C2CN(C(=O)OC(C)(C)C)C2)CC1 1675362554 XBYORIATVSCFGR-UHFFFAOYSA-N 402.499 1.894 30 10 HDEE C#CCC1(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CCOCC1 1675723429 GCHNEJSLOXQGCI-FQEVSTJZSA-N 401.507 1.940 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCO[C@]4(CCSC4)C3)C2=O)cc1 1680778746 LPXCHEWLCSNVFP-YLJYHZDGSA-N 400.504 1.577 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1681943142 BMTCQYLXZYEDIB-HKUYNNGSSA-N 407.536 1.702 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1683681752 UOQJTXUWJQLSNJ-HNNXBMFYSA-N 414.325 1.800 30 10 HDEE C#C[C@@H](NC(=O)N(C)[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1684037269 WHVWIUWEHXKUSL-UXHICEINSA-N 415.490 1.879 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1C[C@@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1684304892 UIBVSNQVSBHZBH-CVEARBPZSA-N 423.510 1.466 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)nn1 1686847995 UNGXLJSYEITDTB-HNNXBMFYSA-N 419.283 1.609 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCC1(n2cc(Br)cn2)CC1 1687528273 HIMVOULWHGQJEX-UHFFFAOYSA-N 421.303 1.586 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689954451 ZOQAHECCLHEQDM-CYBMUJFWSA-N 408.915 1.344 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689979597 DNRCCJYXKMBEMB-IRXDYDNUSA-N 409.600 1.933 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)C 1690047664 WMZWNYNETTWPKD-SFHVURJKSA-N 421.567 1.510 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCOCCOC 1690196095 XYNWIAZPQJWWRG-NHCUHLMSSA-N 406.527 1.974 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690237211 WNVBPQJRQUGUNF-ULQDDVLXSA-N 416.526 1.855 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccc(C)cc1 1690514906 AFXHGDPYJSJJTJ-HNNXBMFYSA-N 420.539 1.249 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1[C@]1(OCC)CCOC1 1690653067 AQSYUFRWPZZKHE-UWJYYQICSA-N 420.558 1.153 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](CCOC)C1 1690659084 JKIWQPVRKHALOV-HNNXBMFYSA-N 413.482 1.090 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCOCC1 1690659246 NXDKWUQPUQUTKE-UHFFFAOYSA-N 418.885 1.000 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CCSC 1690670792 IWUHSYGWJBOCCM-UONOGXRCSA-N 415.585 1.060 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCCOC2)C1 1690724076 HOQLJFCBUOKUAE-YLJYHZDGSA-N 424.567 1.780 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690972939 OFZDXVPLYBHGTH-HNNXBMFYSA-N 409.494 1.400 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1 1692658829 BWONKEXMVRAMKX-INIZCTEOSA-N 412.498 1.386 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(C)(C)C(=O)NC)CCOC1 1696045418 BZVIUORPTHETIO-OAQYLSRUSA-N 418.542 1.832 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705540385 XWXZDNPQZZUGSR-QGZVFWFLSA-N 411.510 1.977 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCc1ccco1 1705556055 JNJPAOGOXHBEDZ-UHFFFAOYSA-N 404.430 1.708 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CC(=O)NCC(F)F 1705594664 NQEWNCTVJBTOBR-UHFFFAOYSA-N 401.417 1.798 30 10 HDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C(=O)NC)C1 1705894352 WEZHUMYPZYQFKF-GJZGRUSLSA-N 420.514 1.487 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1707951784 FIFAILSMXXFOCD-RHSMWYFYSA-N 421.505 1.398 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CCC(=O)N1 1708532874 VJHJJWHXSNAQHQ-HRCADAONSA-N 423.525 1.447 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1711338923 OBULWIMRZPGCIP-RTBURBONSA-N 424.505 1.585 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1712229026 XHSKRWGKWSMGJT-KRWDZBQOSA-N 410.434 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1722303274 OCVBRQOGUPRVST-OAHLLOKOSA-N 415.469 1.736 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1722341179 AMLJUHPNBJANLU-INIZCTEOSA-N 423.525 1.084 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1722409982 LVIPEQVNTPRBOR-QGZVFWFLSA-N 418.505 1.863 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1722441043 FUXCNJPPMWGDFA-QHCPKHFHSA-N 420.517 1.645 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F 1722500470 RUEYTISEBKAMRS-UHFFFAOYSA-N 407.425 1.709 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCS(=O)(=O)C1 1722648207 SAJFFIVMHWEUTJ-FQEVSTJZSA-N 415.519 1.453 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722695716 NKPJTJWODHOIMO-AWEZNQCLSA-N 415.885 1.107 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1722730508 UZKFAXNIFFNNEN-IRXDYDNUSA-N 418.567 1.833 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1723675614 IEUVLJRVBQLRQP-SNRMKQJTSA-N 409.462 1.176 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1729237325 TVDNLNBTUAYPGG-HHHXNRCGSA-N 423.564 1.456 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCOC[C@@H]1C 1740633893 XOIXTWDGHCCVTF-KRWDZBQOSA-N 408.462 1.647 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1740640028 YQSMPKWGSAJCBA-VXKWHMMOSA-N 419.529 1.756 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(C)CCCO2)CC1 1740693267 WCOJMNJTKYMYQO-FCHUYYIVSA-N 417.554 1.643 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1740744207 PEFUKQHGILNCLQ-ZDUSSCGKSA-N 421.361 1.952 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N(CCO)CCOCC(F)(F)F 1740809031 GPAFGUABKAJPHV-UHFFFAOYSA-N 406.796 1.865 30 10 HDEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCS(=O)(=O)NC)CC1 1740819283 KWBDLPRIFUTUDU-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCCCn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1740872517 MFFCPKVFAVSWLE-CQSZACIVSA-N 414.897 1.712 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741119000 ZSFOWIWWYVGVNH-UHFFFAOYSA-N 408.510 1.350 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1741428144 CWZORUMLNKTZLJ-DZBHQSCQSA-N 410.522 1.880 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCn2ccnc21 1741657802 GFJDAENUSGBMQY-LIRRHRJNSA-N 400.462 1.632 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)C1 1741983423 KBWFRUWGOCVVBH-HNAYVOBHSA-N 422.555 1.574 30 10 HDEE CC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1745019482 HFTYJWAFQOHJHM-JYTLGYECSA-N 400.483 1.686 30 10 HDEE CN1CC[C@@](O)(Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1748053552 DDKVCDYVYIGCKL-QHCPKHFHSA-N 417.517 1.839 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1748710492 RJLFCYAWSKNQOK-QGZVFWFLSA-N 413.551 1.811 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748802900 SYVNYIXEGZTDCC-QGZVFWFLSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748815815 UHBYQDMHJHUTET-FXAWDEMLSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(C)nn1C)[C@@H]1CCS(=O)(=O)C1 1748816144 XNOWBEICIDNEFZ-QGZVFWFLSA-N 416.551 1.653 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1748874765 DRIOXCSQYZNDNA-YDHSSHFGSA-N 409.534 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC[C@@H]1COCCO1 1748957065 SYNQXRCZTHWJTJ-QGZVFWFLSA-N 414.462 1.565 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2([S@](C)=O)CCC2)CC1 1748993749 KMBPOAWQQBTLER-NDEPHWFRSA-N 417.604 1.987 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 1749003908 AMCSKSPRAMDGAJ-GOSISDBHSA-N 420.561 1.999 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1 1749155484 GLLZGVTZWWYDJD-LJQANCHMSA-N 404.559 1.739 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749210297 GQCXXWZIMNZRDH-IBGZPJMESA-N 406.487 1.040 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1749409611 WSQCTGDYRSHJOT-LAUBAEHRSA-N 418.542 1.889 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C(C)C)N1CCOCC1 1749485686 WZDPCTYWEWNTAY-KRWDZBQOSA-N 416.526 1.985 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1749487598 FMEJVPWVHLNYMW-GFCCVEGCSA-N 410.569 2.000 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCCCCCO)c1 1750381779 DVEQLOQSRJEWSO-GOSISDBHSA-N 409.494 1.583 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@@H]2CCOC2)cc1 1750382997 MVEAPZORZIVDBU-SFHVURJKSA-N 424.505 1.586 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1760116893 KYLJPAAJWLMJAA-KBPBESRZSA-N 407.471 1.251 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C(C)(C)C1 1760155436 XYUSKALBEALIEC-SJORKVTESA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN(CC)C1CC1 1760173489 XADJTXLQJOHXFD-UHFFFAOYSA-N 401.536 1.902 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760187592 KHOQUOIHVAZTGG-WRWLIDTKSA-N 422.551 1.102 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 1760221086 JAVICSQSLIBLLW-UHFFFAOYSA-N 419.577 1.753 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)COC)CC1 1760256715 JEBYZJHQDWPZDU-JOCHJYFZSA-N 419.570 1.747 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)C)CC1 1760273154 JVAIGIHMVTYQFN-ROUUACIJSA-N 403.527 1.624 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760358466 WDBCKLXXEFGFQM-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CC1 1760502470 ABVFTMGQNZYXRX-UHFFFAOYSA-N 405.524 1.865 30 10 HDEE C=CCn1c(N2CC[C@@H](N3CCN(CC)CC3)C2)nnc1[C@]1(OCC)CCOC1 1760513014 GNIXEBSUPDRYIY-NQIIRXRSSA-N 404.559 1.332 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(C)CCN1CCOCC1 1760525775 QUHKWTWUPFUDPN-UHFFFAOYSA-N 404.540 1.001 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1763221046 BWQFBFZCKJEXSI-MOPGFXCFSA-N 422.489 1.789 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1764996272 LVGATGDOAJIWLD-HZPDHXFCSA-N 416.432 1.956 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1769194932 GPIGKBLIOGLONK-SFHVURJKSA-N 409.494 1.305 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)cc1 1770741064 VEOLPEBMYPVXES-UHFFFAOYSA-N 417.429 1.568 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCC(=O)NC1CC1 1771289754 WOLJKOMZGMEINS-LPHOPBHVSA-N 416.526 1.801 30 10 HDEE Cn1nccc1[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772793481 VDVHXSXQZQSRJY-AWEZNQCLSA-N 400.391 1.740 30 10 HDEE C=CCN(C(=O)CCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCN(C)C1=O 1849691105 IZJDGDYQBIRNFI-WMZOPIPTSA-N 422.551 1.037 30 10 HDEE COc1ccc(-n2nncc2CN2CCN(C(=O)c3ccc(C#N)cn3)CC2)cc1F 1851460563 UFDMXHDFIOLKRM-UHFFFAOYSA-N 421.436 1.640 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3OCCc4ccccc43)c(C#N)cc2C#N)CC1 1851777935 CGGIISHBJZWZJD-IBGZPJMESA-N 402.458 1.829 30 10 HDEE CS(=O)(=O)N(C1CC1)C1CCN(C(=O)c2cn3cc(C#N)cc(Cl)c3n2)CC1 1851851458 CHHLZLFLVGUYOX-UHFFFAOYSA-N 421.910 1.888 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ccnc(OC)c2I)CC1=O 1852046859 GJOMKIGKQKEJCZ-SECBINFHSA-N 401.204 1.668 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4coc(C)n4)CC3)CC2=O)CC1=O 1853639031 UGCVNKQGVYCJMN-QZTJIDSGSA-N 414.506 1.605 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1853741912 QAMKRTPLFCAEFT-ZWKOTPCHSA-N 403.504 1.127 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCC2 1853786329 XYWVTSYQDMOYEP-KRWDZBQOSA-N 403.523 1.574 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2c(C)noc2C)C1=O 1854097696 BVJTUMOSMXSXGW-ROUUACIJSA-N 402.495 1.460 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)c3cnn(CC)c3C(F)(F)F)C(=O)C2)C1 1854212974 IYNFNZCPGKZRGM-CQSZACIVSA-N 413.444 1.857 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)[C@H]3CCCOC3)C2=O)CC1 1854743503 KKEMATKTNZXUAD-OALUTQOASA-N 411.506 1.410 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@@H]3CSc4ncc(C)c(=O)n4C3)C2=O)CC1 1855083103 LSQRIZITTGOEEQ-DLBZAZTESA-N 416.547 1.833 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)Cn3nnc4ccccc4c3=O)C2)CC1 1855123257 LIDJRUMUFHGXFU-KRWDZBQOSA-N 409.490 1.599 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855162319 FARVHFCAHYLILJ-PKOBYXMFSA-N 423.579 1.750 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1855204784 MITKEYUZKQYRSY-IEBWSBKVSA-N 403.523 1.574 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@@H](N3CCC(n4nccn4)CC3)C2=O)cc1 1855891846 OUHFXBKVCRHYHL-HXUWFJFHSA-N 406.490 1.937 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(Cc4ccccn4)CC3)CC2=O)CC1=O 1855992770 PCDBXRXASMWSFV-RTBURBONSA-N 410.518 1.703 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(Cc4ccccn4)CC3)CC2=O)cc1 1856704455 PBDZJLQDIOGFJH-LJQANCHMSA-N 403.486 1.760 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1=O)[C@@H]1CCN(C)C1=O 1856749162 XBKMFFAGWXCFOS-LSDHHAIUSA-N 409.408 1.954 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3c(OC)nc(C)c(C)c3C)C(=O)C2)C1 1856827909 IVSPSSPYZYRJLF-GOSISDBHSA-N 400.523 1.950 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCOC[C@H]3c3cccnc3)CC2=O)cc1 1856872509 UHNSDAPDZBWWRA-CTNGQTDRSA-N 404.470 1.944 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CCC(F)(F)C3)C2)CC1 1857063105 WOFRXYYXEZLMKR-HIFRSBDPSA-N 417.478 1.752 30 10 HDEE CCCc1cc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1857071042 ALZBTHFRSDLOBY-GOSISDBHSA-N 408.462 1.457 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@H](C)N(CC3=NCCO3)c3ccccc32)CC1=O 1857071177 FGWQOYAGUQSAKD-HOTGVXAUSA-N 410.474 1.608 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2=O)C1 1857137691 SQFXHSPMIPOMHX-IBGZPJMESA-N 401.426 1.939 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)Cc2ccc(Cl)cc2)C1=O 1857150019 NJOBOTLSKBRDOJ-SFHVURJKSA-N 424.892 1.492 30 10 HDEE C#CCOc1cn(CCCCCO)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561804 DHKGRKVUJLACST-UHFFFAOYSA-N 405.495 1.297 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(C(C)=O)CC1)n2Cc1ccco1 1875232031 POXKXDFEAMPBIA-UHFFFAOYSA-N 408.462 1.975 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714017 QRNQAJWDIIRKOJ-KOLCDFICSA-N 403.526 1.857 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCN(c3cc(OC)nc(C)n3)CC2)cs1 1889513735 GHYRYAQEDSMVRY-UHFFFAOYSA-N 402.480 1.128 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)CC2(C#N)CCOCC2)CC1 2174781513 GSQURFBLWQYTMP-UHFFFAOYSA-N 421.541 1.355 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2174783121 YJBGXYHPIXEFPF-UGUYLWEFSA-N 401.529 1.868 30 10 HDEE Cc1c(NS(=O)(=O)CS(C)(=O)=O)ccc(B2OC(C)(C)C(C)(C)O2)c1Cl 2202940137 BBZSERMFFGEMOZ-UHFFFAOYSA-N 423.749 1.691 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2243675646 ZBIVWZPMCWYKJW-UHFFFAOYSA-N 424.332 1.597 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2247916131 QNNJISKSYRKCCC-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE C[C@@H](CN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247917093 IDKUFWVKCNPHIW-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258171392 DHVXUMQVNANBRW-MRXNPFEDSA-N 403.416 1.680 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2267364282 WYTJRIGCPJOKFT-DEOSSOPVSA-N 407.388 1.403 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCCC4(C3)OCCO4)c2)OC1(C)C 2267369779 BGZVYFKMJLIGRQ-UHFFFAOYSA-N 409.313 1.513 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCOC(F)(F)F)c2)OC1(C)C 2267373093 YNIZNEXGNLHNGX-UHFFFAOYSA-N 401.237 1.862 30 10 HDEE CN(c1ccc(C#N)cc1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270536797 FDSCLKFCXSOCAP-QGZVFWFLSA-N 417.443 1.704 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1sc(C)c(B2OC(C)(C)C(C)(C)O2)c1C 2281932032 IITBLGODWJWYGZ-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282026023 ASHZEIQVSBZVEL-UHFFFAOYSA-N 402.347 1.257 30 10 HDEE COC(=O)C(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282319564 VLGHQCNXMIFGHP-UHFFFAOYSA-N 403.331 1.586 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](N(C)C)C1 2282321542 YGPYUEBFCWCNBU-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2COCCCO2)OC1(C)C 2282336151 ZGAFHIYNJVPMIQ-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)OC1(C)C 2282340671 IPNNUIFBALFBFE-STQMWFEESA-N 401.359 1.877 30 10 HDEE C[C@@H]1CC[C@H](CN)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342433 HNMJPTNXFSVVFR-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H]4[C@@H](C3=O)C4(F)F)s2)OC1(C)C 2282347443 YGWTXPJCFLCVKU-KCJUWKMLSA-N 405.253 1.460 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@H](CCF)C2)OC1(C)C 2282415152 CRJBEUFSPXBDML-GFCCVEGCSA-N 404.338 1.954 30 10 HDEE CC(C)[C@@H](N)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282492652 SDGLKOBOZWOGIS-AWEZNQCLSA-N 402.753 1.901 30 10 HDEE CN(Cc1nncs1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498231 ANZRQJISJFMPBN-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H](O)C2CC2)OC1(C)C 2282499691 FGDWFEZBDQZCCW-CQSZACIVSA-N 401.721 1.688 30 10 HDEE CC1([C@@H]2CCCCN2C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)OCCO1 2282514625 GHWVSHMNTDVGGW-HNNXBMFYSA-N 403.288 1.534 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)CC[C@H]1C 2282825957 NYZZQBCBMRDGHY-DGCLKSJQSA-N 401.359 1.890 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1)CSC 2282831236 GYCHNIBOWQUGMH-ZDUSSCGKSA-N 402.347 1.037 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3CCO)s2)OC1(C)C 2282853238 AAJZEFLKJKORHY-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccccc2CS(=O)(=O)N[C@H]2CCCC23OCCO3)OC1(C)C 2282871426 GWXBTIFIWIJSQN-KRWDZBQOSA-N 423.340 1.701 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(C)CCC[C@H]3O)s2)OC1(C)C 2286913147 KTZOEKGNSVGSSS-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)OCCNS(=O)(=O)N1CCC[C@H](C#N)C1 2295846389 SLNKDMNVCSAPHY-CQSZACIVSA-N 404.533 1.376 30 10 HDEE COc1cccc(C=NNc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)c1O 2322614476 KIOMUWNCBKZUOR-NSHDSACASA-N 412.855 1.417 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1CSCCN1C(=O)OC(C)(C)C 2342033277 OCBDAXSKXOMDIE-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE C#CCNC(=O)CN[C@]1(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2351389870 RCCFDECEYQCAJQ-LAUBAEHRSA-N 401.463 1.216 30 10 HDEE COCCCS(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c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c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2381310132 PLRVIMGRFSKXKU-NEPJUHHUSA-N 401.363 1.234 30 10 HDEE CCc1ccc([C@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443868 LHNNLPYKBWJJPS-JKSUJKDBSA-N 420.473 1.258 30 10 HDEE Cc1cc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cc(O)ccc2C)c(C)[nH]1 139847057 ROLSZMIRFOUYEN-UHFFFAOYSA-O 417.555 1.794 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(Cc4cccc(OC)c4)C[C@]34C=C[C@H]2O4)CC1 247916800 WNOQJISRGGKWFC-GECPAALWSA-N 423.513 1.307 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)Nc1ccc(N2CCCC2)nc1 434448830 RCKLSHXATWMAHA-UHFFFAOYSA-N 416.445 2.020 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440390683 ZLXHXFMCTIUXMB-UHFFFAOYSA-N 422.441 1.530 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc(C#N)c(OC)c1 462478829 KBBKYFPMMCIPDZ-IBGZPJMESA-N 410.474 1.740 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)[C@@H]3CCOC3)nnc12 462983128 YJTHIGDGZQMTID-CQSZACIVSA-N 413.503 1.960 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)C(C)(C)C2)cc1 465163880 JCFWUUFOQAEZFL-UHFFFAOYSA-N 415.537 1.534 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)CC1 469839218 CCFVFIWVXGPONF-HKJQZYRSSA-N 413.497 1.120 30 10 HDEE N#Cc1ccc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)o1 476250406 DBFSGKUDHUUDOV-LLVKDONJSA-N 412.183 1.926 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN([C@H](C)C(=O)N3CCCC3)CC2)cc1C#N 476463823 SLZKVJHRGJHFQL-CYBMUJFWSA-N 403.508 1.149 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 487098735 SNSKMHFJDPVKPS-ZIAGYGMSSA-N 410.430 1.932 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2csc(NC3CC3)n2)CC1 493255653 MTPSORGGTDLNGN-UHFFFAOYSA-N 417.516 1.736 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC(C)(C#N)CC2)o1 507821441 BHZRKOWSACMFPO-AWEZNQCLSA-N 423.491 1.762 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508473305 NXLKYFPJJUMPMB-UHFFFAOYSA-N 412.538 1.952 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)c(F)c1 509150298 FXYVIPJMXCAEQD-UHFFFAOYSA-N 408.499 1.744 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)COc3ccc(C#N)cc3OC)cn2)CC1 516120044 AMYCJURKDFIZTA-UHFFFAOYSA-N 409.490 1.799 30 10 HDEE N#CCCCS(=O)(=O)N1CCCC2(CCCN(S(=O)(=O)CCCC#N)C2)C1 516349565 NALJHSABQSUDAD-UHFFFAOYSA-N 416.569 1.432 30 10 HDEE Cc1csc([C@@H](C)NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 521924195 IOJCWCQSBVACCO-CZUORRHYSA-N 411.487 1.812 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 531945734 OTSZMRYFPVBILF-HNNXBMFYSA-N 415.471 1.427 30 10 HDEE Cc1ccccc1CN1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 545505509 UZRQQJFKEQDVPM-UHFFFAOYSA-N 418.545 1.728 30 10 HDEE CN1CCN(c2cc(CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)ccn2)CC1 546175983 CILURCNDJDOZPR-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c1 548977444 VVBRJDFTOBJRFF-UHFFFAOYSA-N 403.913 1.400 30 10 HDEE CN(C)S(=O)(=O)C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)C(F)(F)F 557437348 PTVTUCYECGZVAM-ZDUSSCGKSA-N 408.402 1.059 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC=C(C(F)(F)F)CC1 578177364 NWODHLRFOVONSM-ZDUSSCGKSA-N 421.445 1.496 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 580057983 ZOZRYGAMNXMXLH-ZOBUZTSGSA-N 408.499 1.358 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)ccc2C)c(=O)n1-c1ccc(F)cc1 603923623 CMZCLPKUCVKRQA-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 609640827 YVPOHBOXNSDVBY-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)N4CCCCC4)CC3)cc2C1=O 644469025 MGDZKPAWJPXEPY-UHFFFAOYSA-N 410.474 1.832 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 670208938 SPJJGYBSKMNEGH-OAHLLOKOSA-N 411.553 1.885 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)CSc2ccc(C#N)cc2)C1 728679345 CTUSEPHZXUTKDD-QGZVFWFLSA-N 405.520 1.667 30 10 HDEE N#CC(C(=O)N1CCCC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 729669903 VOAGRSXWXIRWDD-UHFFFAOYSA-N 405.483 1.018 30 10 HDEE CC(=O)Nc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2C2CC2)c1 730139553 ROXWNPHSPNVUJS-QGZVFWFLSA-N 417.535 1.807 30 10 HDEE CC1CCN(C(=O)c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732706858 QUSDMJCEZIBGSN-HXUWFJFHSA-N 423.517 1.696 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(CNC(=O)OC(C)C)cc2)CC1 735867486 CFKRXMBGBTZBQG-UHFFFAOYSA-N 417.510 1.773 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCOc3ccc(C#N)cc3)C2=O)cc1 741971649 MGMNHFMEEHDTAY-QFIPXVFZSA-N 422.441 1.529 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccccc1C(=O)NC[C@H]1CCCO1 746104879 HILMRHGJPQPLIE-HFGXJBEUSA-N 412.446 1.450 30 10 HDEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1 755425065 YPRVYTKQZGZTGO-RTWAWAEBSA-N 404.470 1.824 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1=O 757597842 UHYWIPBGOWHCLZ-PBHICJAKSA-N 424.457 1.957 30 10 HDEE CCn1nc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c(=O)c2ccccc21 760389028 UIPDGLANNPHEMZ-UHFFFAOYSA-N 402.476 1.950 30 10 HDEE COc1ccc(-c2nn(Cc3ccccc3)cc2C=NNC2=NC(=O)C(=O)N2)cc1 765584084 LELJDUHSHQLOGO-UHFFFAOYSA-N 402.414 1.543 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 772361075 SOXYANYCRKVLFJ-FZKCQIBNSA-N 401.467 1.558 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])cc2F)c1=O 777945921 UDGNBQQOQKNBGT-UHFFFAOYSA-N 411.414 1.463 30 10 HDEE COc1cc(Br)ccc1CNC(=O)CCN/C(O)=C1/N=CC=CC1=O 779121415 XZTJYEYKINCBLH-MSUUIHNZSA-N 408.252 1.990 30 10 HDEE Cn1nc(CC(=O)[C@@H](C#N)C(=O)NCc2ccc(F)c(F)c2)c2ccccc2c1=O 786566118 VWLAWTMGNSJVLL-OAHLLOKOSA-N 410.380 1.779 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)ccc1F 787355367 VDQCMLUSENJRDI-ZQIUZPCESA-N 410.467 1.704 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(CO)n(-c3ccccc3)c2=S)n1 788370796 ZAEUMRADXRHWNF-UHFFFAOYSA-N 412.519 1.831 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc3c(c2)CC(=O)N3C)n1 788967380 XYKQONZSXNXBSB-INIZCTEOSA-N 409.490 1.954 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)n1 790107881 OIALZRZTUSRYRG-IFMALSPDSA-N 424.501 1.720 30 10 HDEE Cc1ccc(CN(CCO)C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)o1 794315133 UFYTYIOEPWHCFK-CYBMUJFWSA-N 405.476 1.426 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)[C@H](C#N)C1 796491448 GSQXUGGCSLDGEK-CABCVRRESA-N 414.462 1.088 30 10 HDEE COCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802494372 CHDIDPZECYEUHI-MRXNPFEDSA-N 400.458 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804162343 XXEIBMQOQWKIBZ-UHFFFAOYSA-N 404.442 1.783 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 809893831 UAHUSORYBGWCRJ-LSDHHAIUSA-N 420.514 1.439 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)NO1 810787246 OQGTUWVFSBVHEL-QBZGQGNASA-N 405.454 1.704 30 10 HDEE C/N=C(/NCCN1CCOCC1)NCc1nc(-c2ccc(Br)cc2)n[nH]1 849074900 LNYZTMNVNFUYOW-UHFFFAOYSA-N 422.331 1.231 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H](c2cnn(C)c2)C1 849491079 QVAKLKBTPCRZIU-RTWAWAEBSA-N 421.549 1.849 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1116545254 CGWBUFKEQNWGDE-QGZVFWFLSA-N 424.519 1.062 30 10 HDEE Cc1nc(N2CCOCC2)nc(O)c1CCC(=O)Nc1cnc(Cl)cc1C#N 1128508147 NJPNIAHTWWNGPD-UHFFFAOYSA-N 402.842 1.819 30 10 HDEE COc1ccc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OC)c1OC 1134428754 AGEAUZQCQRQYGN-IFXJQAMLSA-N 408.476 1.042 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(c3ccccc3C#N)CC2)o1)S(C)(=O)=O 1136537544 MZBNCZOGZYCIAJ-UHFFFAOYSA-N 403.464 1.183 30 10 HDEE CN1C(=O)COc2cc(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1139162823 WRBISRWSKCOMTJ-UHFFFAOYSA-N 403.391 1.730 30 10 HDEE COCCOCCc1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]1 1149177542 XJIUKSHLWHUSDK-AWEZNQCLSA-N 407.471 1.200 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1157102932 SEMDCWRWHAIIHR-UHFFFAOYSA-N 408.476 1.918 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 1159762384 NYXXUQLQYUQQKI-HIFRSBDPSA-N 402.447 1.690 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](c2ccncc2)C2(CO)CCC2)cc1 1167925239 MGANHQZFTOHCEK-IBGZPJMESA-N 414.487 1.252 30 10 HDEE C[C@@H](CC(=O)Nc1ccnn1C1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1180189597 NWJBPWWKIVVSFX-ZDUSSCGKSA-N 417.491 1.690 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(CO)(NCC3CC3)CC2)c1 1183857247 BRCCVORFLSQWLB-UHFFFAOYSA-N 407.536 1.118 30 10 HDEE C[C@@H]1CCCN(Cc2ccccc2CNC(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1222665448 DACKAXRUZMQHEP-MRXNPFEDSA-N 424.505 1.552 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2)nc1 1254262744 JLGHEXYCURSMGN-UHFFFAOYSA-N 419.489 1.510 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O 1278478623 WGBRBHCJEQXIAF-USGNIVHTSA-N 405.495 1.537 30 10 HDEE CC(C)C#CC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1280745084 SNIHVNFJMJVWDK-KKEPMVJESA-N 400.519 1.583 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1286336947 REQCPAVPRLKXDV-AWEZNQCLSA-N 400.508 1.385 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(C)CN(C)C1=O)[C@H]1CCS(=O)(=O)C1 1286390536 AQALMLCBYIYOJG-JXFKEZNVSA-N 419.551 1.041 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCN1CCCS1(=O)=O 1286406091 ONDZIROMRFLSKD-UHFFFAOYSA-N 401.467 1.193 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1COCCO1 1286434766 WSEDVGNNQMFMBZ-FQEVSTJZSA-N 410.474 1.744 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1286444171 RCVZVHFQYNXBTA-FUHWJXTLSA-N 423.521 1.357 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC2(OCCOC)CCOCC2)CC1 1286480260 UBJPYMQRCVBPEC-UHFFFAOYSA-N 417.554 1.513 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1286525028 HVLDXVMMSYXWKI-VDNWNZSNSA-N 414.554 1.721 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1286711932 RITWSBJRHRPLNM-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1286722358 VDDJRYDMKDVDOV-UHFFFAOYSA-N 405.528 1.387 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1286722585 MMOZENDHOVEOAX-UHFFFAOYSA-N 409.494 1.994 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1286810949 YDKXFFSNOPXHOI-SJORKVTESA-N 410.540 1.388 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H](C)NC(=O)OC(C)(C)C 1289205166 NMTMUTNUDNXUTQ-ZTENYAIWSA-N 413.540 1.569 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1(C#N)CCSCC1)CCS2(=O)=O 1289581459 ACNVEJMBAXEGLW-JZLYGMAVSA-N 400.522 1.039 30 10 HDEE Cc1ccccc1OCCN(C)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1290211454 OZJBGSCSRAYKHG-FMQUCBEESA-N 410.478 1.937 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc3ccccc3[nH]2)s1 1290318512 LZOKXRXCHWRTRC-UHFFFAOYSA-N 404.517 1.990 30 10 HDEE CCc1nnc(N(CCOC)Cc2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1292890954 FINMEMWKWVQCFW-GOSISDBHSA-N 417.535 1.800 30 10 HDEE N#C[C@H](NC(=O)c1ccnc(S(N)(=O)=O)c1)c1ccc(OC(F)(F)F)cc1 1294250645 ZCNXQGSUZIYWEF-LBPRGKRZSA-N 400.338 1.622 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1296571512 XCNYYNIAWSUZCC-SFTDATJTSA-N 416.526 1.539 30 10 HDEE C#CC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1)C(=O)OC 1299179419 YCPFOGMNNIILIL-KGLIPLIRSA-N 405.455 1.145 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CCS(=O)(=O)C1 1300482788 HBMXERRXIIZSIP-HUUCEWRRSA-N 419.473 1.097 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300529595 MLVDZDURSSESCE-KRWDZBQOSA-N 415.505 1.847 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1300630535 DJEHQFUJYCPQEU-HNNXBMFYSA-N 406.483 1.858 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCOC1 1300849662 RYYAXZDMCSJYOW-NWDGAFQWSA-N 405.318 1.314 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)CCOC)CC1 1301127171 ZVUGYBHFOSBPSG-KRWDZBQOSA-N 411.572 1.161 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)[C@@H](C)C1 1301722636 UQJYHUMKPKFQDS-AOMKIAJQSA-N 424.505 1.679 30 10 HDEE CN1Cc2ccccc2[C@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1302594052 QAZIWFJRNURCSW-GOSISDBHSA-N 412.515 1.808 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSc2nccs2)CCO1 1303005000 VTVXURWANLCMIH-OLZOCXBDSA-N 419.536 1.597 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1303789012 ZMNRIULPHHOSCI-UHFFFAOYSA-N 424.519 1.259 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1309627562 QAPDBWFQXJPRKJ-LLVKDONJSA-N 412.309 1.673 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1312898791 UJNKULVRLYOCFS-LZWOXQAQSA-N 408.499 1.097 30 10 HDEE CCCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1313495408 OEWONPBEKCZRCH-ZDUSSCGKSA-N 404.421 1.402 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 1323755275 IREGBJQTIPSVCQ-KRWDZBQOSA-N 408.524 1.432 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1 1337648467 DUFMKMKAABEPRG-AWEZNQCLSA-N 401.916 1.806 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N(C)C)nn1 1349663370 UHLJKHIAWNGRSI-UHFFFAOYSA-N 418.523 1.957 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCOCC1 1355141412 HMIDOKXROITHTI-UHFFFAOYSA-N 417.940 1.945 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1358889973 JOMRFOCZSCCNNW-FUHWJXTLSA-N 417.535 1.426 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358955292 JESLOIPKTKEIKF-MRXNPFEDSA-N 407.540 1.233 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358981429 JEMKMMNIQUCXBY-MRXNPFEDSA-N 414.510 1.387 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1Cc2ccccc2O1 1359018337 MIKHOXGKJGPIAR-GOSISDBHSA-N 409.490 1.604 30 10 HDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC=C 1359292965 CDYYXLQMJCPQJI-UHFFFAOYSA-N 417.539 1.471 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1F 1359303096 DHVVUQBRKAPCDO-UHFFFAOYSA-N 400.458 1.478 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1359318625 IZFIJTUEDXCMJQ-FUHWJXTLSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359327601 GEKOPIPNELYNDK-CQSZACIVSA-N 410.500 1.272 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1360474759 VJRFYOLZSAJFNR-HNNXBMFYSA-N 415.498 1.466 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CN2CCCC3(CC3)S2(=O)=O)ccc1OC 1435132673 CSKWQELGVICSGK-MRXNPFEDSA-N 421.519 1.951 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)nnn1-c1ccc(F)c(F)c1 1435551064 GVHAOXUWRVOQLP-LBPRGKRZSA-N 424.415 1.867 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1Cl 1440515934 HQIFIFXRQTUVDE-LBPRGKRZSA-N 418.862 1.851 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)CC1 1445689099 LZTHUEYPWNBQDL-HXUWFJFHSA-N 404.470 1.612 30 10 HDEE CC(=O)NC[C@@H]1CCn2ncc(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)c2C1 1453580877 DWVLWVCLNFLZER-GOSISDBHSA-N 421.501 1.889 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1455078922 OSIQDXGZYQJUQQ-IBGZPJMESA-N 408.458 1.907 30 10 HDEE C=CCCC[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OC 1455837173 PUYJTJSSGOHYGT-YCRPNKLZSA-N 417.462 1.476 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1466604890 UOIVWFFENNSHAD-DLBZAZTESA-N 404.463 1.514 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCCCN2CCN(c3ncccn3)CC2)cc1 1468657143 LBICZDXUDPVEPZ-UHFFFAOYSA-N 422.533 1.890 30 10 HDEE N#CCNC(=O)CNC(=O)NCc1ccc(Br)c(Br)c1 1470094369 MOYRWTOHVAKAPN-UHFFFAOYSA-N 404.062 1.651 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1471585946 ZYSBLRQYSSLVOA-JLTOFOAXSA-N 414.474 1.976 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)c2c(OC)nn3cc(Br)cnc23)C1 1475427804 ZBGXPUHTBOJQAD-LLVKDONJSA-N 413.297 1.924 30 10 HDEE Cc1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1492789936 NTSNPQUQRAGPHY-ZWKOTPCHSA-N 406.556 1.921 30 10 HDEE CCCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1500379067 DIBGNUDLKUNPEP-IBGZPJMESA-N 403.508 1.603 30 10 HDEE CN(C)CCN1CCC(Cn2c(CC3CC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1503400564 AKUPPQGDXPFWIH-OAQYLSRUSA-N 403.550 1.946 30 10 HDEE COCCn1cc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)CC#N)cn1 1504897691 FGILNWYIFPQSPC-INIZCTEOSA-N 411.514 1.769 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCN(C)C 1505074093 YZCWOZHUGZRMOL-TXPKVOOTSA-N 410.494 1.022 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C)CC1 1507579004 IPFLJUWIPLAOLP-SFHVURJKSA-N 413.526 1.841 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507630438 YUAXQDWIPSRYPZ-INIZCTEOSA-N 419.551 1.725 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507679375 VLDNROXDKXSOBV-NRFANRHFSA-N 419.526 1.027 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507843966 ZPRMFYSGEJBLAL-PMPSAXMXSA-N 402.499 1.069 30 10 HDEE C=C(Cl)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1507875114 NMJOTRREWONKJH-IBGZPJMESA-N 419.917 1.799 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1507983774 XQUYWPNFOUHYIT-UHFFFAOYSA-N 413.482 1.981 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1Cc1cnnn1C 1507983943 ZNGDJHVZFSSONX-UHFFFAOYSA-N 421.553 1.442 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CC1)C1CC1 1507996426 WXLAXXJPTBTGLF-HOCLYGCPSA-N 410.540 1.734 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CC 1508039820 QYSABIZZPPIVCT-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1 1508130988 JXYIHCJQYQZPDY-UHFFFAOYSA-N 417.535 1.751 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1508164911 NXUSWVKDMHUJHH-QGZVFWFLSA-N 413.551 1.739 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508388925 HURYEFWRXRBYQA-NRFANRHFSA-N 423.477 1.374 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCNS(C)(=O)=O 1513955308 BHIKDQWRIKDYLW-SJORKVTESA-N 402.524 1.523 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1517483942 ZJNFUQFLUVALEP-IERDGZPVSA-N 407.478 1.058 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1(C)C 1518611259 LFLPMDBQMFHBGQ-INIZCTEOSA-N 403.508 1.723 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1519095233 MPSNBBLIBQDQSS-QGZVFWFLSA-N 404.511 1.952 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1524673085 YKBQLYMSVXNESK-NGVSDPCNSA-N 409.446 1.590 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2oc(C(=O)OC)cc2C)c1 1526859824 HYDOUCHVGLYRRW-UHFFFAOYSA-N 410.426 1.862 30 10 HDEE C=CCCO[C@H](C)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1533374770 ZREOVIWUVJQJHM-QGZVFWFLSA-N 424.542 1.785 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H]3OCC(=O)N(CC)[C@@H]3c3nccn3C)cc2n1 1538314371 LIDYLRFHBNJLRA-OALUTQOASA-N 408.462 1.883 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1538965685 PWSOCPMJFAMINM-CVEARBPZSA-N 404.478 1.842 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1538976358 KRPVNYWGSOUFHQ-IIBYNOLFSA-N 413.526 1.754 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1539013690 NLKXDZUWXXSNSE-QGZVFWFLSA-N 424.553 1.778 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)CC 1539179766 RPANIPLZTONPCY-MGPUTAFESA-N 407.515 1.817 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1539222575 WQUJQERAQZMPNV-BRWVUGGUSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(C)(C)OC)[C@@H]1CCS(=O)(=O)C1 1539226470 YUUWIPOAHYOBCJ-QGZVFWFLSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)NC 1539333838 MFPGKJCZEMBTLQ-UHFFFAOYSA-N 415.519 1.178 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1539365969 TUKQNAHXWLLUCF-WOJBJXKFSA-N 402.587 1.905 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](F)COC 1539390241 NTBKQPLSEHGILM-DLBZAZTESA-N 403.433 1.993 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@](C)(O)c2ccccc2)CC1 1539444215 JLVPIEVLMBXDQW-HSZRJFAPSA-N 419.533 1.732 30 10 HDEE CNS(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1543396588 DHJZLNRRFCGSKM-INIZCTEOSA-N 422.356 1.448 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n[nH]1 1544477503 XQSLPGFPGPRFLW-MRXNPFEDSA-N 419.530 1.735 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)C[C@@H](C)O1 1545095960 FMOOBTJEFNPCEZ-DICRZQGBSA-N 419.505 1.170 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)[C@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1546110231 UHDYIKKEVOJYEK-CRAIPNDOSA-N 401.488 1.691 30 10 HDEE CCN1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCO[C@@H](C#N)C3)cn2)CC1 1547707732 YVDDPXZSGDTDPA-IBGZPJMESA-N 424.553 1.715 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1552708985 GQCVHLBCHSROIW-SFHVURJKSA-N 419.493 1.728 30 10 HDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N 1555271340 FOXPUJOFPGESFY-ZIAGYGMSSA-N 423.518 1.961 30 10 HDEE COCC#CC(=O)N(CCN1CCOCC1)Cc1sccc1Br 1556882426 QBVFYWCWLDJOKR-UHFFFAOYSA-N 401.326 1.821 30 10 HDEE CC1(C)CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C[C@@H](CO)O1 1557096565 DDRCZBOCMIDFAI-INIZCTEOSA-N 413.434 1.984 30 10 HDEE N#CCCN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1557980670 IXAOWYXADSSYHB-INIZCTEOSA-N 403.870 1.603 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 1558719192 ZOMQGLHEWQFGOP-HPGBDJQBSA-N 405.520 1.407 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(Nc3cc(C(F)(F)F)cc(C#N)n3)CC2)cn1 1559113992 DKSQGNWUWMQZBK-UHFFFAOYSA-N 414.413 1.971 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1565156031 ACPMZGQKMLYYOA-ZWKOTPCHSA-N 408.543 1.751 30 10 HDEE COc1ncc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cc1C(N)=O 1566378533 OKQJYBNSOAATGM-UHFFFAOYSA-N 402.451 1.778 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1570227641 NUUMFGZYCIMMDZ-BBRMVZONSA-N 421.291 1.777 30 10 HDEE Cc1cccc2nc(CCNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)cn12 1583365396 ZMFCXUPKGUUAOJ-UHFFFAOYSA-N 411.487 1.807 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1583654696 WOXUCKPLHNZLBW-WBVHZDCISA-N 417.491 1.262 30 10 HDEE CO[C@]1(CNC(=O)COc2ccc(C#N)c(Br)c2)CCS(=O)(=O)C1 1584690383 GPAKXFWMTQZELO-HNNXBMFYSA-N 417.281 1.019 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN(CCOC)C(=O)C1 1587888779 NEQMQOLOFOWGEK-UHFFFAOYSA-N 415.469 1.705 30 10 HDEE C#CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1587894040 MYZSMAAESCDMLJ-UTKZUKDTSA-N 416.526 1.384 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2cccc(F)c2C)[C@@H]2CCO[C@@H]2C)C1=O 1587983587 VSWPDDWJSRHGIR-CZUORRHYSA-N 403.410 1.621 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(N)=O)c1 1588214044 GGGACZIVOPKIKF-UHFFFAOYSA-N 417.473 1.054 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1588975578 HFWRICBRMQGHPI-OXQOHEQNSA-N 421.567 1.557 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1589483249 NUIKDLIBOPULBZ-NVXWUHKLSA-N 420.558 1.748 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(Oc2ncccc2F)CC1 1595595749 YVPFXKFTAHDYET-UHFFFAOYSA-N 418.473 1.699 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)C1 1595791335 ZWBSTTCHVQQNOB-UZUQRXQVSA-N 408.502 1.589 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C(C)C)C2=O)C(=O)OC 1596243415 HBEHLFDNVSCQLV-OAHLLOKOSA-N 408.476 1.867 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1597825565 GNOPCOIRDGERII-GOSISDBHSA-N 407.478 1.690 30 10 HDEE COc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(OC2CCCC2)c1 1607498785 YQYGMKOFLOAPGJ-UHFFFAOYSA-N 410.430 1.848 30 10 HDEE C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1611596993 GDRVNYBFNFSZRW-QUCCMNQESA-N 410.522 1.513 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnc(O)nc1 1611622272 AWZABOADQNPGSS-UHFFFAOYSA-N 417.491 1.140 30 10 HDEE C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@@](C)(O)[C@@H]1OC(C)=O 1614586026 COWWBPRRBQOULA-ZILWMKKNSA-N 406.431 1.420 30 10 HDEE COc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCC2)cc1OC 1616335759 HSWXIMSKLSYEHL-HNAYVOBHSA-N 404.488 1.522 30 10 HDEE Cn1nccc1[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1619470189 ROIUNXMYHPCFFT-KRWDZBQOSA-N 404.492 1.738 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1Cc1ccc(CN2CCC(O)CC2)cc1 1619909593 CVROMFSESNDEAD-UHFFFAOYSA-N 412.538 1.958 30 10 HDEE COc1ccc(S(=O)(=O)C[C@H](C)C(=O)NCc2ccc(C(=O)NO)cc2)cc1 1626239601 WAGSXBOGPQIXNY-ZDUSSCGKSA-N 406.460 1.540 30 10 HDEE C#CCN1CCCN(C(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 1628354452 GTGBVZWOGVCRPN-QHCPKHFHSA-N 408.502 1.543 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)Cn4ccc([N+](=O)[O-])n4)CC3)n[nH]2)cc1 1632253966 VRHGWZWVOOQHTA-UHFFFAOYSA-N 406.406 1.402 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 1633200377 NORJKGQXHSBELR-UHFFFAOYSA-N 403.483 1.592 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)C1CCOCC1 1633418141 MFJHHBPGSDYMHW-IEBWSBKVSA-N 406.504 1.302 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)[C@H]2COCCN2CC(F)(F)F)C1 1633662199 HEUKWNATYRUUNG-YNEHKIRRSA-N 406.405 1.125 30 10 HDEE C=CC[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1633797968 WBPPWVSVSZJUNY-AWEZNQCLSA-N 402.494 1.341 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1Cc2ccc(Br)cc2C(=O)O1)C(=O)OC 1635158928 OHDUOCYYAUWJHI-UONOGXRCSA-N 412.236 1.391 30 10 HDEE N#C[C@]12CN(C(=O)NCc3c(F)cccc3-n3cccn3)C[C@H]1CS(=O)(=O)C2 1635329112 BQDHUYYQYCYSRQ-SCLBCKFNSA-N 403.439 1.091 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1636001297 GLUDLFORFSLDCW-XJKSGUPXSA-N 412.309 1.571 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CSC(c2ccccc2O)=N1 1636270360 DXLOWRCUIIXPRL-CZUORRHYSA-N 408.487 1.653 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ncc(Br)cn2)c1 1636835853 LKCVOYIYDKXOPY-UHFFFAOYSA-N 413.228 1.605 30 10 HDEE C#CCN(CC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)OC)C(=O)OC(C)(C)C 1637713640 QXGIDJKKMAQCAZ-MRXNPFEDSA-N 408.426 1.733 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1638909628 LAXDXYMIGWLZKG-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE N#CC1(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)CCOCC1 1640395901 ZVVVWUJCJXIDQU-MRXNPFEDSA-N 407.492 1.481 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1640863251 QEYIEUIUIPTSJD-UHFFFAOYSA-N 420.516 1.502 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1641041231 TTZBOVXASXQEHQ-QGZVFWFLSA-N 410.561 1.382 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1641856753 CKIPUJOTWCTJFX-LJQANCHMSA-N 414.506 1.144 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(C)(C)n1ccnc1 1642427043 JUCXNANANVCSQX-MRXNPFEDSA-N 417.535 1.888 30 10 HDEE CN1C[C@]2(C)CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@]2(C)C1 1642637943 AKQSSTCSHXADDG-WOJBJXKFSA-N 404.536 1.306 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1642768143 BLUBZBGHRKYPJR-HNNXBMFYSA-N 401.467 1.565 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1642864525 JATJLIXQBKYQJG-SFHVURJKSA-N 415.446 1.273 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1644112288 HZABZAVAKWAEQO-IBGZPJMESA-N 409.508 1.407 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N=[S@](C)(=O)c2ccc(OC)cc2)cc1 1646119824 XGBZKRNUCXKBRV-AREMUKBSSA-N 406.485 1.904 30 10 HDEE N#C[C@]12CN([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]1CS(=O)(=O)C2 1654975073 MVPIVIDYPCHGSN-XNJJOIOASA-N 414.314 1.969 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 1654984975 WTPPTGVFEAYYQR-HOTGVXAUSA-N 400.541 1.078 30 10 HDEE C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1655563111 XXXTZFAELJMHMT-DLBZAZTESA-N 405.520 1.380 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H](c3ccccc3)c3nc[nH]n3)CC2)o1 1658924134 FHPANIWGTZBPGQ-LJQANCHMSA-N 420.477 1.343 30 10 HDEE Cn1cc([C@@H]2CN(CC(=O)NC3(C#N)CCC3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1659109632 ROZUSZMIKVLGMA-JKSUJKDBSA-N 402.499 1.275 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1660547015 YGAWTDLVEXSUQS-IBGZPJMESA-N 417.531 1.210 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2sc(Cl)nc2c1 1660902894 WGOFJYOLBINJLD-SNVBAGLBSA-N 404.922 1.761 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1cccc(F)c1Br)C(=O)OC 1661655274 WSSRLQQPIRBCMT-GFCCVEGCSA-N 410.261 1.752 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F)C(=O)OC 1663037185 BPZXXLZNHITVGI-CQSZACIVSA-N 403.428 1.333 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1664911779 GUOOBFIAJQQTEU-HNNXBMFYSA-N 413.507 1.549 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)CC1 1681385585 OPWAEAWYMABMER-INIZCTEOSA-N 411.487 1.356 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CC2 1681433077 BVVUBOWTNAISPF-RTEYEHBSSA-N 406.483 1.873 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)N[C@H]3CCCc4cc(C#N)ccc43)CC2)CCOC1 1683424485 DIGWKSFBSATXDD-UGKGYDQZSA-N 412.490 1.595 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(CC(=O)NC3CCCCC3)CC1)C2 1683589931 JMULPKYBHHSLOQ-OAQYLSRUSA-N 409.534 1.802 30 10 HDEE Cc1cccc2nc(CCNC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cn12 1683648555 DSHIUOICOLSVJK-MRXNPFEDSA-N 404.478 1.767 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CCO2)cc1 1683873632 YTQZFRFAIRWOGF-ZCTYVAAUSA-N 403.504 1.997 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3cnccc3C#N)CC2)c(O)nc1=O 1684017555 XMIGKRMGFDDUKF-UHFFFAOYSA-N 411.466 1.002 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1684426017 RMIOQZFOFXNINF-AWEZNQCLSA-N 401.435 1.019 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H](C)C(=O)Nc3cccc(F)c3)CC2)C1 1685177079 KOWSHARJUOZAQM-XLIONFOSSA-N 415.513 1.578 30 10 HDEE C#CCCCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1689906594 OVYPYAVBRXRXPN-NRFANRHFSA-N 403.527 1.791 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1689946357 PSBQHGZAOXGLDP-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN1CCCC1 1689966635 XSJYZOYWGJGRKS-QGZVFWFLSA-N 418.542 1.752 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1689998282 IBPGHWJPHCGADS-IAGOWNOFSA-N 421.567 1.241 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@]1(N(C)C)CCSC1 1690102989 ZIWVBBMLASFQCU-XLIONFOSSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOC2CCCCCC2)CC1 1690110589 RZASOIGJTQWOHO-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1690196717 VAAOFMBKZBLDPB-OAQYLSRUSA-N 424.461 1.704 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1690290383 FGBXFIIYKPOAKN-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690466075 XBTXFIOTYLGFRX-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1690471197 WYAZKSGMTVDWOJ-CQSZACIVSA-N 415.560 1.690 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690506222 GYFGBQOGZKLZGE-SFHVURJKSA-N 411.510 1.973 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc(COC)n1 1690515288 JPPMTHKPCNBQPE-NSHDSACASA-N 400.530 1.162 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@@]2(CCSC2)C1 1690729058 FSSHWEUDMNWBBK-QGZVFWFLSA-N 400.570 1.749 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(N)=O)C1 1690752399 HBCGFXYJYABMCR-YZVOILCLSA-N 409.556 1.623 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(N)=O)C1 1691477534 VBTGNYOFOCCEQQ-KRWDZBQOSA-N 409.494 1.291 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1692433410 CBGIARFGEUIJEY-FXAWDEMLSA-N 416.505 1.477 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1693927937 BYZFRTPYDRAEEX-VBKZILBWSA-N 400.531 1.624 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1705486077 WKSIQZJEXJWCBQ-YOEHRIQHSA-N 419.493 1.293 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1705492138 LZUGVPQAPMCLPU-DOTOQJQBSA-N 416.547 1.914 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705529247 BPCXORNPEVFWIM-INIZCTEOSA-N 402.524 1.519 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NCC)CC1 1705535400 LWJMCJNZFGZRPV-UHFFFAOYSA-N 412.513 1.680 30 10 HDEE C#CCCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705539039 HZUHJRDKSLOSJC-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCNS(=O)(=O)c1ccccc1 1705555543 PEGWQFFPVWHTTH-UHFFFAOYSA-N 415.544 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1CCCO 1705599881 CNEQLHRZYJWVMZ-NRFANRHFSA-N 406.534 1.574 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)N(C)C 1705604232 IGQNJRKPTMDKGH-HNNXBMFYSA-N 423.514 1.908 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(F)(F)F)CC1 1705632180 XCNXZEHORUPYCM-UHFFFAOYSA-N 412.460 1.858 30 10 HDEE C=C(C)COCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1705740719 VEJQQEYFWQRVBY-PMACEKPBSA-N 407.515 1.225 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705895082 SZTHRTREQLEZJK-HUUCEWRRSA-N 413.482 1.231 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC2CC2)C1 1705905408 URYNFRUNXOTKSV-LJQANCHMSA-N 410.522 1.962 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(CCOC)c2)C1 1705925869 VLLIAMRUSVIQMI-MSOLQXFVSA-N 402.499 1.455 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2C[C@H]1CO2 1705937904 IDNGZMMGLWQVIX-IRXDYDNUSA-N 420.539 1.108 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCC1 1706831898 BTDDEHXOKLMKSJ-AWEZNQCLSA-N 403.508 1.601 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N1CCOCC1 1708663968 DCGRKCKEGWIUIR-OALUTQOASA-N 424.505 1.408 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@@H]1OC 1708728529 AHGOGBBIDCORED-UVFQYZLESA-N 422.505 1.690 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)Br)CCO1 1712885017 XQTAVICSHGNTJX-GHMZBOCLSA-N 406.231 1.889 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1722290720 AYMFMIZITLHPQQ-AWEZNQCLSA-N 412.523 1.662 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722338142 DOXYUDJWFBCOLP-GOSISDBHSA-N 410.526 1.593 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCC[C@H]1CO 1722342681 VBFGCSGXMZCNTA-KRWDZBQOSA-N 411.510 1.232 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC2(CCCCC2)O1 1722346572 YOVHDBJPERWETR-JKSUJKDBSA-N 409.556 1.840 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1722352748 KRZIDQUDRICMFE-SFHVURJKSA-N 406.490 1.469 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722368851 TUQFHTBDUIMMBR-HNNXBMFYSA-N 420.564 1.575 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1722402336 LLFZUWCTQCIVFE-IAGOWNOFSA-N 410.588 1.468 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](OC)C(C)(C)C)CC1 1722448354 SMMYSGMTJWQEEE-ROUUACIJSA-N 417.554 1.809 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1722461293 ALCXMKRKTSRIKG-SFHVURJKSA-N 414.579 1.787 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722482937 DUVBXIVTDLMSKM-GARJFASQSA-N 412.244 1.252 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1722672238 MTKWJWTZJWBPME-DLBZAZTESA-N 409.556 1.775 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@H]1C 1722674644 RWIQIFUELZJSQK-MGPUTAFESA-N 416.482 1.104 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccc(C#N)cc2)nnc1[C@@]1(OCC)CCOC1 1722704225 QNEGOFCQFGRNON-JOCHJYFZSA-N 424.505 1.740 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1728204608 HSMJCPVZGDJFKF-HXUWFJFHSA-N 411.441 1.697 30 10 HDEE CO[C@]1(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1729952518 INEYSHZQXNTPAU-UFYCRDLUSA-N 423.489 1.566 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CC=CCO1 1730872487 WRUTZUTZPOGQDE-BHIYHBOVSA-N 416.526 1.524 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740749677 BTNFACONNNHMFK-CBZIJGRNSA-N 416.526 1.112 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1740891165 UCTOWYQUNJPQMS-YOEHRIQHSA-N 424.546 1.953 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740987522 VVVFYVNOZXRKOF-HNNXBMFYSA-N 413.544 1.538 30 10 HDEE CC(=O)NCCCn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C#N)C1 1741119417 NFJFNKKGLNONIT-LJQANCHMSA-N 412.494 1.729 30 10 HDEE Cc1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1742793547 NRJNHAUJLXHYHV-ZWKOTPCHSA-N 406.556 1.921 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1742984291 ONDJZWCCEVPROM-NYAYQYMKSA-N 424.509 1.830 30 10 HDEE CCc1nnc(N2CC(C)(C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1744583813 QXFUUJSIIZYARL-WUKNDPDISA-N 402.499 1.761 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1745191667 GLPVKJIGKZOWKL-HNNXBMFYSA-N 409.494 1.305 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1748635422 ROSZGPXYXQNJNT-KRWDZBQOSA-N 422.533 1.917 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1748818742 FKLQZTFKTQNFGW-GOSISDBHSA-N 411.487 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1CCCO 1748848602 KTCHWRWENHXXTA-HXUWFJFHSA-N 409.509 1.928 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ncn(-c2ccccc2)n1 1748948845 YHLDLMFPARIHNG-UHFFFAOYSA-N 422.493 1.131 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCCCC2)CC1 1748986612 DEOJXIFWVGEOFW-UHFFFAOYSA-N 410.570 1.698 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1749066656 MMXZJAAKNJAHMA-DNVCBOLYSA-N 419.551 1.218 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1749245404 IYSBGFRCIPOTJQ-KRWDZBQOSA-N 416.457 1.096 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@H]1C 1749445560 RSADCPKWZCSXDB-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1749502514 WXFJOXOVWYIXRA-HNNXBMFYSA-N 406.508 1.923 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCOC1 1749592336 IBXCTDDOUDYABG-IBGZPJMESA-N 403.439 1.644 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)c1cc(OC)cc(OC)c1 1749671007 XTDQXOYRYZIOTQ-AWEZNQCLSA-N 401.467 1.869 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H]1c1nncn1C 1749734963 OUTFZHISZKDIBY-HNNXBMFYSA-N 407.544 1.547 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(F)cn1 1750154391 NARXBUZQEUMEAR-JQFCIGGWSA-N 402.430 1.313 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1750379299 DSGAIZMWDBJBMG-CZUORRHYSA-N 402.396 1.861 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1752636009 XDDYLCNTUGLXBZ-DXNFXHBHSA-N 402.499 1.933 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1760103348 DCHLTZUYNOPCQG-MRXNPFEDSA-N 414.535 1.946 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1760200312 CHXMQCPIOVQBHN-QHCPKHFHSA-N 416.485 1.426 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccnc2)CC1 1760252406 QDTPJQHVHXXECF-UHFFFAOYSA-N 416.489 1.318 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1760316200 NPDMBJDTEMTNMJ-ZACQAIPSSA-N 402.499 1.334 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2conc2COC)CC1 1760397388 RWJUIOUDZPIPNM-CYBMUJFWSA-N 424.527 1.473 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)CN(C)C2=O)C1 1760536658 IPYHHGWXJVDCKX-HBGVWJBISA-N 419.526 1.190 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@@H]2C)cc1 1764487314 BSTSUWVQGRIMCA-PXNSSMCTSA-N 410.522 1.957 30 10 HDEE CCOC1CC(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1766111549 AEOLFMOVWQKCAN-MNAZLIDISA-N 423.539 1.114 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H]1C 1766986690 HMNYVXZRHUHPRG-HOTGVXAUSA-N 405.510 1.912 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1768217565 HFYRDALUNOMGRP-ZDUSSCGKSA-N 417.495 1.451 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1769415164 FGLKDDJPVWYMGJ-MRXNPFEDSA-N 417.491 1.251 30 10 HDEE COC[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1770783377 WDPSYOJYCVLZAS-NVXWUHKLSA-N 414.466 1.326 30 10 HDEE Cc1cccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)c3cnc(C#N)nc3)CC2)c1 1848541892 PDAWUQGFJLZZRM-IBGZPJMESA-N 404.474 1.610 30 10 HDEE CCOc1ccc([C@H]2Cn3nnc(C(=O)NCC#CCN(C)C)c3CO2)cc1Cl 1850613132 YILQSVCCFLLWIC-GOSISDBHSA-N 417.897 1.897 30 10 HDEE CN(C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)nc1)c1ccc(C#N)cn1 1851569233 IWJLTCKUYWTMDN-UHFFFAOYSA-N 406.490 1.926 30 10 HDEE Cc1cc(C)n(C[C@@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)n1 1852601727 VRIRYXVPOTWPPM-CQSZACIVSA-N 406.494 1.665 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4[nH]nc(C#N)c4C3)CC2)cc1 1853009780 VFXJDYHSLXVAEW-UHFFFAOYSA-N 413.503 1.575 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2=O)CC1 1853739216 OKFZHPYGYSXOTC-SFHVURJKSA-N 411.568 1.608 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3c(OC)nc(C)c(C)c3C)C(=O)C2)C1 1854095317 WOJAAJKCEGYOSV-SFHVURJKSA-N 400.523 1.950 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@@H]1C 1854281150 GXAUTKMWCWJFSL-GJZGRUSLSA-N 416.547 1.794 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1854699465 QGZIRUWAKXWAAC-MRXNPFEDSA-N 411.568 1.464 30 10 HDEE C=CCN1CCN(C(=O)[C@@H](C)n2nc(-c3ccc(OCC)cc3)ccc2=O)C(=O)C1 1855296039 OTGYZVKWEIYHDY-MRXNPFEDSA-N 410.474 1.727 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)CC1=O 1855957936 ZXMGWSYVFMRZCV-SJLPKXTDSA-N 410.474 1.031 30 10 HDEE Cn1ncnc1CN1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856174492 AZLWVFOZRMKCBE-IBGZPJMESA-N 406.490 1.517 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3cccnc3Cl)CO2)cc1 1856459649 VKMVIXLSYWAMCB-CQSZACIVSA-N 407.835 1.697 30 10 HDEE COc1nn(C)cc1C(=O)N1CC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856463342 GPPKFHOWFDVCOU-QGZVFWFLSA-N 408.462 1.316 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3cccc(C)c3)C2)CC1=O 1856787542 PYBKIZUWUQBQKI-IAGOWNOFSA-N 408.476 1.018 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCCc4cncc(OC)c43)CC2=O)CC1=O 1856854665 KJMVDOODFKVTNM-DOTOQJQBSA-N 412.490 1.252 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1857025876 BZAWJJCGDPITNX-SFHVURJKSA-N 403.504 1.999 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@H]1CCN(C)C1=O 1857080762 PFYFQTSQCIIYCI-MJGOQNOKSA-N 415.538 1.870 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)COc3cn(CC)c(C(=O)O)cc3=O)cc21 1857888692 ZOVNDKJISBLMLL-UHFFFAOYSA-N 412.398 1.740 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)CS(=O)(=O)c1cccc(Cl)c1 1866885239 HDWQIFVGLCQWFI-MRXNPFEDSA-N 421.862 1.101 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc3nc[nH]c3c2)cc1=O 1871004409 DBXQYDYXAUQMGN-UHFFFAOYSA-N 407.474 1.681 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(OC)cc2C)[nH]1 1871692808 IVYNUOKOBIHLLT-UHFFFAOYSA-N 414.510 1.953 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882714169 RSMLCOYNNQTLOH-WPRPVWTQSA-N 404.514 1.252 30 10 HDEE CCn1nc(C)cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889298621 BMMZFTULGLKDIA-UHFFFAOYSA-N 415.582 1.862 30 10 HDEE COC1(C(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)CCCC1 1889305715 CVCRNXARDLYAMF-UHFFFAOYSA-N 405.583 1.983 30 10 HDEE COc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889397066 TXESPTPZUFCZCO-UHFFFAOYSA-N 413.562 1.805 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1889577673 IGSRFEMWGQNBKJ-UHFFFAOYSA-N 423.554 1.636 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1890872351 MBMCUYIHOXDAEZ-ICSRJNTNSA-N 403.548 1.786 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCO[C@H](C(=O)NC4CC4)C3)n[nH]2)c1C 1891318441 LTJVVCVRHFCXNP-SFHVURJKSA-N 412.494 1.586 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 1892071618 YEITWSLLDQLTNX-LJQANCHMSA-N 404.532 1.998 30 10 HDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985150098 LSUXJHAVGZYBAA-MSOLQXFVSA-N 418.494 1.694 30 10 HDEE O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCSC1=NCCc1ccccc1 2040436528 RCKSFFQLHFBSNY-PBWTXFEYSA-N 409.511 1.968 30 10 HDEE C=CCNC(=O)CN1CCN(Cn2[nH]c(C=Cc3ccc(C)o3)nc2=S)CC1 2040500274 YMFRRPPECYMHPB-UHFFFAOYSA-N 402.524 1.890 30 10 HDEE N#CC1CCN(S(=O)(=O)Nc2ccc(I)cc2N)CC1 2164604759 VDLRVWWTZFIGBI-UHFFFAOYSA-N 406.249 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174778966 DGFFVOCBFAHIJG-CABCVRRESA-N 401.529 1.920 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180093914 ZLXUVKHUZQFSBT-OLZOCXBDSA-N 406.451 1.280 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC2(C#N)CCN(C)CC2)C1 2181146690 HIFWAYXXHDVXCF-GHTZIAJQSA-N 414.506 1.907 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCC1(CO)CCN(C(=O)OC(C)(C)C)CC1 2188282060 SSIQGGWNEXFRHH-OAHLLOKOSA-N 403.545 1.711 30 10 HDEE C#CCN(C(=O)[C@]1(CNC(=O)OC(C)(C)C)CC1(F)F)[C@H]1CCS(=O)(=O)C1 2196488454 CCGRTRSSIQXCLV-BLLLJJGKSA-N 406.451 1.185 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2243109770 HUARVUQUXRUCHW-UHFFFAOYSA-N 405.304 1.457 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2243370415 OIOMWWXSEHKOIP-CYBMUJFWSA-N 410.276 1.194 30 10 HDEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243386598 CYYFEHKYHDMFEU-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2243425325 JHTDUQZTFUSKSN-CYBMUJFWSA-N 407.320 1.967 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2244597460 HLMPYQGKKFPEFB-UONOGXRCSA-N 410.320 1.909 30 10 HDEE CC(C)(C)OC(=O)NCCC1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247825931 LFVDGZVEXNPZGP-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)NCC12COC(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2248488607 TVXJJMJFHLYZAI-UHFFFAOYSA-N 420.315 1.811 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(C#N)c(Br)c1 2249535583 PXURDYHALLGBAD-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE C=CC[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258154250 DMSDNESAYLUPKN-NVXWUHKLSA-N 410.492 1.984 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C1CNC1 2267352575 GKSQQGGISSCVDR-SECBINFHSA-N 406.766 1.587 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCCC1 2270501985 YDXHDIOAMFVZKV-KRWDZBQOSA-N 422.503 1.710 30 10 HDEE CN(C)C[C@](C)(O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939259 WJOYWYURVWQYEC-QGZVFWFLSA-N 402.753 1.743 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2282352908 SCLWELZSMZBYHT-LBPRGKRZSA-N 402.347 1.226 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCC[C@@H]1CCCS1 2282353726 XNVWRKGMDLWYSF-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE COC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282417258 BDUFWRINVGTTEK-ABAIWWIYSA-N 401.721 1.952 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N=[S@](C)(=O)CCN)c1B1OC(C)(C)C(C)(C)O1 2282502595 NJUWIABWUUNOCU-RUZDIDTESA-N 422.403 1.409 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2C[C@H]2C(F)F)OC1(C)C 2282832275 MMYWJUGBHKARJD-NXEZZACHSA-N 408.301 1.763 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@H](CO)C3)cc2Cl)OC1(C)C 2282832997 FGNNXULMXYBMFH-JTQLQIEISA-N 423.749 1.083 30 10 HDEE C[C@@H]1NC[C@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282849533 CLPWKZKFPBLGJT-RWMBFGLXSA-N 400.375 1.807 30 10 HDEE C[C@@H]1CNC[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853398 CFVYBNQXHQOKGV-QWHCGFSZSA-N 400.375 1.571 30 10 HDEE CCN1CCC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282877510 SFFRTLHWSXJYCY-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282882182 HYWXEGSFPCFRRN-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCC#CBr)(C(=O)O)CC12CCOCC2 2326206787 OQEYTGAISHNBFC-KRWDZBQOSA-N 417.300 1.945 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365208106 BHFZYQVOQKFGGP-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCO1 2365209980 XGBGYCMDTAKORF-KXBFYZLASA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2365210739 JHDCDRSBESQUAU-BZUAXINKSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2367797131 TWQYCCQZCGRFEW-BZUAXINKSA-N 400.541 1.475 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806630 LYWZXZYDQQDJJR-SPYBWZPUSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCC1(C)C 2367814139 BXSHNYPTVKBBLT-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE Cn1c(=O)ccn(Cc2ccc(B3OC(C)(C)C(C)(C)O3)c(Br)c2)c1=O 2377408941 WVSIBWKDKXNNPU-UHFFFAOYSA-N 421.100 1.657 30 10 HDEE C=CCOc1cccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCCCC)c1 66228220 AKSGXAHXHDTANZ-GOSISDBHSA-N 403.479 1.724 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)CC2=O)c1 238821027 CQSGGCCLUIUZFI-VQIMIIECSA-N 406.442 1.995 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)ccc1Br 409942653 OHRSBBSPPHBVDN-RISCZKNCSA-N 417.267 1.703 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1snc(C)c1C#N 439293824 DCYHOXCIUMUTHF-UHFFFAOYSA-N 422.488 1.605 30 10 HDEE CCO[C@@H]1C[C@@](NCC(=O)N2CCN([C@H](C#N)C(C)C)CC2)(C(=O)OC)C1(C)C 444764043 AKNIQLZOKDHJTM-CBGDNZLLSA-N 408.543 1.015 30 10 HDEE CN(C)C1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 445852573 UYNZYFVZVSNOAW-UHFFFAOYSA-N 405.524 1.058 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccccn2)CC1 472711953 FWUYLMPHAGXEFF-UHFFFAOYSA-N 412.471 1.449 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CCC(=O)N(C)C)CC1 473211923 ZZDZAOFDLDYNRJ-CQSZACIVSA-N 403.552 1.531 30 10 HDEE COc1nn(C)cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 476562454 KLZIXTDHCBYOFH-UHFFFAOYSA-N 403.464 1.340 30 10 HDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NCCOC)n(C2CC2)c1=O 478849846 RRVDCYHABIQQAG-UHFFFAOYSA-N 415.490 1.212 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(OC)c(Br)c2)CC1 492334922 ABUSUCYPUSTOJQ-UHFFFAOYSA-N 424.339 1.837 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 501888057 GGMQOHYJYHNYPX-QGZVFWFLSA-N 419.528 1.661 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 508830217 XZCSJIBDSRQGQV-MRXNPFEDSA-N 418.542 1.458 30 10 HDEE N#Cc1cnn(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1 509795508 PFIOHSJCBXKODW-UHFFFAOYSA-N 409.855 1.068 30 10 HDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NS(=O)(=O)c1ccc(Cl)c(C#N)c1)C2 511400842 UJCFWBQGTKSOIW-GJZGRUSLSA-N 410.927 1.574 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCc2cccc(O)c2)CC1 521521681 IVZZBKXFJNNABG-UHFFFAOYSA-N 414.487 1.522 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 524416481 GAYHJZGVGFDLMS-UHFFFAOYSA-N 405.524 1.100 30 10 HDEE N#CC1(c2ccccc2)CCC(N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 537298045 XUJWGRHFSWESSY-RKDVLTNBSA-N 403.548 1.478 30 10 HDEE CNS(=O)(=O)c1cccc([C@@H](C)NCCS(=O)(=O)c2cccc(C#N)c2)c1 538158762 WEGSDMVFKQYRAQ-CQSZACIVSA-N 407.517 1.591 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 540454238 FVKZINDDBWYYML-NSHDSACASA-N 402.405 1.586 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 565120931 NPTHBAVTRQRQLD-LJQANCHMSA-N 405.520 1.988 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2 568417495 KTJGUMSUPAWVFE-FQEVSTJZSA-N 420.579 1.985 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Oc2ccccn2)C1 569829766 NFDFHTKXLPVGFX-JKSUJKDBSA-N 403.508 1.809 30 10 HDEE COc1cccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)c1 570014412 LGOOGMAWNPRARC-LJQANCHMSA-N 415.471 1.445 30 10 HDEE CN1CCC[C@@H](CNC(=O)C(=O)NC2CCN(CC#N)CC2)[C@@H]1c1cccs1 588128948 UOLPZFYSNLSOHV-MAUKXSAKSA-N 403.552 1.351 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 604172383 HZAFTRVBBBIJEH-INIZCTEOSA-N 413.522 1.726 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1-c1ccc(F)cc1 610358112 CPJCFKCZOKFHNY-UHFFFAOYSA-N 423.469 1.434 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2C(F)(F)F)CC1 611432670 KECJVZUYBRPCLO-SJORKVTESA-N 414.403 1.798 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1F 727417693 IXPZMBMYLJQAGH-UHFFFAOYSA-N 409.442 1.745 30 10 HDEE N#C[C@H]1CN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCN1C1CC1 732674355 HJZBEIMXOYALRV-SFHVURJKSA-N 412.490 1.845 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(C)cc3C)c2=O)cn1 735069518 VLOSOPKJCKSKBR-UHFFFAOYSA-N 421.526 1.371 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 743835217 OZJUVWGCYDWXND-DJWKRKHSSA-N 405.458 1.926 30 10 HDEE CCNC(=O)N1CCc2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc21 747496027 FRVAOMZJVXYJGB-UHFFFAOYSA-N 421.457 1.914 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)[C@H](C)Oc1ccccc1C#N 748865161 MGWSJGHJVZHUQK-VZWMTCDZSA-N 404.444 1.849 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753130955 PQLSVOXSHMEITB-QGZVFWFLSA-N 415.494 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)=NO2 760324137 YPBCKMONIYJAAQ-INIZCTEOSA-N 417.510 1.731 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2c(Br)cc(C#N)cc2OC)C1=O 769716633 OBZQDDDQWNWZTL-UHFFFAOYSA-N 422.191 1.212 30 10 HDEE C#CCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 774043132 KDDIZMLXIXTLHO-LBPRGKRZSA-N 419.912 1.366 30 10 HDEE C#CCN(C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 774206699 FQCIFHUXKUBEKR-CVEARBPZSA-N 413.540 1.465 30 10 HDEE C#CCN(C(=O)NCC1(N2CCC(OC)CC2)CCCC1)[C@@H]1CCS(=O)(=O)C1 774212015 XLSZZUSNYKMVBI-QGZVFWFLSA-N 411.568 1.242 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21 780334479 QRZYZJNHKBJYRX-LESCRADOSA-N 411.414 1.335 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1 780724591 DCDYGLAGBGDRGQ-OAQYLSRUSA-N 416.478 1.812 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC)Cc1cn(C)nn1 782103933 UZEPKEYSTNOWIE-MRXNPFEDSA-N 418.523 1.461 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)CC1=O 785653628 QUENHISRBHMICD-QWFCFKBJSA-N 413.474 1.648 30 10 HDEE COCCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCOC1 787842323 CWAOBZXORADBBZ-INIZCTEOSA-N 423.535 1.549 30 10 HDEE Cn1ncc(C(=O)COc2c(I)cc(C#N)cc2[N+](=O)[O-])n1 789967994 UQNYAZRUYDYBNF-UHFFFAOYSA-N 413.131 1.461 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)C1=O 803594618 QBEYDIRHFOCECF-QAPCUYQASA-N 412.490 1.236 30 10 HDEE Cn1c(N2CCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)c(C#N)c(=O)n(C)c1=O 808082517 WURIPPGTFBVAIF-HXUWFJFHSA-N 403.483 1.183 30 10 HDEE C#CCN(c1nnc(-c2cc(C)oc2C)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812384311 JUSRPQQYQJELIE-SJORKVTESA-N 418.519 1.818 30 10 HDEE C[C@@H](OC(=O)c1cscc1C#N)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 814612907 UVACTZBMANZHFR-GHMZBOCLSA-N 407.473 1.690 30 10 HDEE COc1cccc(C(C)=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)c1 1084352967 DQEPXYKBWCGLBJ-UHFFFAOYSA-N 403.512 1.516 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3cccnc3)n2)o1 1084459936 LFWHAXCAMHIUHZ-UHFFFAOYSA-N 401.456 1.561 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1141167957 DSBOFWYDURYBJE-LBPRGKRZSA-N 402.469 1.162 30 10 HDEE COC(=O)c1ncoc1COCC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1144280794 FJLMFPCDMJATTO-UHFFFAOYSA-N 412.446 1.630 30 10 HDEE COC[C@](C)(NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)C(=O)OC 1150695702 PDDFYONHPNQYND-KRWDZBQOSA-N 410.268 1.451 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1154541942 VPDQXEPIPUANDZ-QVKFZJNVSA-N 413.499 1.527 30 10 HDEE Cc1ccc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)cc1B1OC(C)(C)C(C)(C)O1 1158256550 KGEZNDQWPJKIEW-HDICACEKSA-N 400.328 1.887 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1167654388 CBXKMBNLDNVVKD-UKRRQHHQSA-N 404.326 1.706 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(C2(C)OCCO2)cc1)c1cc[nH]n1 1170799923 SYMGOOGMNMLDML-UHFFFAOYSA-N 416.434 1.229 30 10 HDEE C#CCC1(O)CCN(CC(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)c(F)c2)CC1 1175669143 LQQPSIJXRALAQB-HDICACEKSA-N 417.525 1.906 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1192940917 AKUSEIMZEDOZAI-UHFFFAOYSA-N 400.522 1.132 30 10 HDEE CN(C)c1ccc(Br)c(S(=O)(=O)N2CCN(CCC#N)CC2)c1 1193811237 HSNZFIRRNPYRSU-UHFFFAOYSA-N 401.330 1.735 30 10 HDEE C=C[C@@H]1OCC[C@H]1N[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1194418359 RDNPBXXQECDHRF-GLQYFDAESA-N 401.916 1.850 30 10 HDEE C#C[C@@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)[C@@H]1CCCO1 1234627816 WQBLFGFGYYLRDA-SJORKVTESA-N 407.511 1.979 30 10 HDEE C#CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1251286513 HEWDVPLGOYCKCI-CABCVRRESA-N 413.540 1.464 30 10 HDEE CC(C)C[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1252094179 NHAUXMRJFZMLHG-CYBMUJFWSA-N 419.482 1.391 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1253779485 PECJZHMGAHATED-RDJZCZTQSA-N 420.514 1.688 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1286313714 DYSKUXUNSUJCED-KRWDZBQOSA-N 400.527 1.811 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1286314153 LCHRDRZFFLEXSK-OAHLLOKOSA-N 424.571 1.044 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1286314770 RGCHQRHZORNEAE-ZWKOTPCHSA-N 422.599 1.756 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1286346981 FLVBXJDWKYXLOS-DLBZAZTESA-N 414.510 1.700 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1286360224 DSVUUGSZENEGRD-NSHDSACASA-N 411.557 1.155 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1286428345 CZSNTBJCAMXKPF-HKUYNNGSSA-N 421.505 1.093 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCCCC1 1286462737 TXZTZEYQQWLTMP-UHFFFAOYSA-N 415.494 1.787 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1286581504 KFYLPXKACIQCRW-INIZCTEOSA-N 404.540 1.924 30 10 HDEE C=CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286696654 LZDOOPPBPBHFHQ-UHFFFAOYSA-N 408.506 1.839 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1286828967 SWMFKWWYIRZQNF-KRWDZBQOSA-N 415.567 1.813 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286951696 ZCULUUCOYHBAOY-OAQYLSRUSA-N 407.478 1.202 30 10 HDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1288394869 BQYFTEZFGPRCOV-QGZVFWFLSA-N 403.508 1.865 30 10 HDEE C#CCCCCC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1291913087 IROXLOVVABFJLV-PYOKUCOHSA-N 402.413 1.774 30 10 HDEE COC[C@@]1(C(=O)NCCNc2ncccc2C#N)CN(C(=O)OC(C)(C)C)CCO1 1292157335 GYOMFQYSGJSGBY-HXUWFJFHSA-N 419.482 1.134 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)c2ncon2)c1 1300079516 DYPCLNCOBPMIMA-GOSISDBHSA-N 410.455 1.695 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1300322596 UNYMHSWWXGHGFK-IAGOWNOFSA-N 411.510 1.259 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCSC1 1300733224 IOEUYVQWVCBYLY-OLZOCXBDSA-N 403.599 1.196 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C)S(=O)(=O)CC)CC1 1301059010 ORYSBWXZKJDKTL-UHFFFAOYSA-N 412.560 1.244 30 10 HDEE CSc1nc(O)c(C(=O)Nc2n[nH]cc2I)cc1C#N 1301169463 SPUQUJNDRQWUBQ-UHFFFAOYSA-N 401.189 1.961 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1301304801 JCMDXLNGPKGILT-UHFFFAOYSA-N 410.522 1.908 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N(C)CCN1CCOCC1 1301485586 YPYJIDWLQOPHBT-UHFFFAOYSA-N 424.505 1.762 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCOC2)C1 1301493254 WYXMXOBQIMJRKU-LJQANCHMSA-N 402.886 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CC2(CS(C)(=O)=O)CC2)C1 1301553967 VUQMXVVYQFLYAJ-OAHLLOKOSA-N 405.524 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cscn1 1301579556 VUYXOIDCGQCWLC-UHFFFAOYSA-N 407.525 1.372 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCSC1 1301585814 FEDSAVWRRXODCK-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](CCC)C1 1301587290 TVUCSMMDHMXHQD-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1301967695 FSTJTTWPCDWQAU-OCCSQVGLSA-N 408.915 1.873 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4c[nH]c(C#N)c4)C3)[C@@H]2C1 1302896447 YRJSAWLMQLSWAO-OAGGEKHMSA-N 415.450 1.541 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC[C@H]2CO)C1 1302979271 PNFNDFWTTYIBJF-ABSDTBQOSA-N 406.506 1.461 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1303644430 JQZFJXAQEWKLMY-MAUKXSAKSA-N 412.494 1.712 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCOC(F)(F)F 1303807440 OQBZJSSXZPZEJV-GHMZBOCLSA-N 412.438 1.553 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C4CC4)n3C[C@@](C)(O)C(C)C)CC2)c1C#N 1304730355 DGKPXHGWYVAGDQ-OAQYLSRUSA-N 412.542 1.803 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 1306894507 MJKYCVYXNVAPFK-JSGCOSHPSA-N 405.398 1.453 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@H](NC2CC2)C(F)(F)F)c1 1306905689 TUGGPNZLDJXFRU-AWEZNQCLSA-N 404.414 1.026 30 10 HDEE C=CCCn1cc(CNCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)nn1 1308519907 YMAXDHLPHLKQIJ-MRXNPFEDSA-N 413.544 1.368 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1312655249 CONPSYYXHDHRON-SFHVURJKSA-N 422.489 1.864 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 1313191813 ZPBWLDDMEQLYLT-GCJKJVERSA-N 415.490 1.794 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1314915818 TUFFYAOBGRWKBV-ZWKOTPCHSA-N 413.526 1.249 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1315042032 DAGDCHFVFNUOMG-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1315162478 CYARZKPDFSGGPU-ZTFGCOKTSA-N 410.478 1.714 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CN3CC[C@H](c4ccccc4)C3=O)CC2)cc1 1323529439 LOQQCJCDRGMVSZ-OAQYLSRUSA-N 424.526 1.838 30 10 HDEE COC(=O)c1cc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)n(-c2ccccc2)n1 1328406102 NGKKBEWGRDSNJI-UHFFFAOYSA-N 424.438 1.958 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@]1(C#N)CCCOC1 1350710343 DJHWNFPYMAAHGZ-OAQYLSRUSA-N 400.479 1.631 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1ccc(C(F)(F)F)cc1 1357299105 ZASDRVKFDQNWQV-KBPBESRZSA-N 404.410 1.742 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCCS1(=O)=O 1358901037 YLGGGPIKIUTOPW-QAETUUGQSA-N 410.540 1.427 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1358948602 GHPUJXGIXURZIZ-HOTGVXAUSA-N 400.504 1.816 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1359097589 QSFJOJCWFCTQMP-VYDXJSESSA-N 401.515 1.478 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccncc2)n1Cc1nnn(C)n1 1359278383 SBDHSKNGWJKHGR-UHFFFAOYSA-N 405.466 1.664 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](COC)C1 1359302982 ZUWXOKKVIXLHJE-KRWDZBQOSA-N 423.521 1.682 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cscn2)n1Cc1ccc(C#N)o1 1360657716 QDVXPJVTKZALQB-NSHDSACASA-N 421.508 1.494 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](C#N)c1cccc(Br)c1 1435745870 HAKDSHKRHHQEEO-GFCCVEGCSA-N 409.265 1.946 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1438147459 LTQZWFJUOFWMJW-OAHLLOKOSA-N 416.540 1.345 30 10 HDEE CNC(=O)[C@@]1(C)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1448616055 XSGFESLAMQTAJM-XTIIMXRNSA-N 404.511 1.758 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncn(CC(=O)OCC)n1 1451972785 LUYZFPKJSJBEHC-LLVKDONJSA-N 401.851 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 1456898588 WYQUMBFUOJVLLW-JOCQHMNTSA-N 422.507 1.145 30 10 HDEE CC(C)OCc1cccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1460883253 PTBHJIAXFNCHRA-AZUAARDMSA-N 405.520 1.098 30 10 HDEE C=CCN1CCC(NC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1464922689 VDUGJFJXSVZWAL-DENIHFKCSA-N 401.507 1.915 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@]3(C)CCCS3(=O)=O)c(C#N)c2N)cc1 1465599785 JFNYDXBFDJJPEJ-FQEVSTJZSA-N 415.519 1.651 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 1466853470 VEOFGNJNRQUACQ-UHFFFAOYSA-N 410.316 1.757 30 10 HDEE C#C[C@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1468172805 IZPGKKCXBMPYFC-HXUWFJFHSA-N 423.510 1.357 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(COCCO)cc2)cc1 1469239250 XOTFYYPZIRKAPA-UHFFFAOYSA-N 403.460 1.640 30 10 HDEE C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)n1 1469855886 BMXBOBGXSJTMII-JSEAGGFSSA-N 413.478 1.891 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 1470213391 DFXAFIPTILVRAU-VQIMIIECSA-N 400.504 1.473 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 1470898260 NPGWWXYBQQGNEO-INIZCTEOSA-N 414.485 1.819 30 10 HDEE C#CCC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CCOCC1 1471931835 REPCPKLFTHHUHL-INIZCTEOSA-N 408.524 1.116 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](c4ncon4)C3)C2=O)cc1 1471968544 VNYBXJHFLDCODW-GOEBONIOSA-N 408.418 1.552 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1CCS(=O)(=O)CC1 1499007700 DYKSPUJZCKDHEP-UHFFFAOYSA-N 416.507 1.200 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1507545092 BLHMQTUVYPQWKR-GJZGRUSLSA-N 403.449 1.926 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507632440 LIZJXTDKWKOIGU-HZPDHXFCSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCCNC(=O)c1cccc(O)c1 1507650388 JBSRBDDAVKIGDR-LJQANCHMSA-N 421.501 1.771 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@@](C)=O)CCC1 1507651107 BZKBLGUJIQARIK-SSEXGKCCSA-N 420.542 1.891 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccsc2)CC1 1507716875 VLBHXQGPDKKYFI-UHFFFAOYSA-N 407.503 1.790 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2ccc(OC)c(OC)c2OC)CC1 1507723698 RBFMJTKXZOTNTC-UHFFFAOYSA-N 411.506 1.985 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](CC)N1CCCC1 1507765981 WXYAWRYDFGNNAO-ABSDTBQOSA-N 422.599 1.755 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCCNC(C)=O)CC1 1507882651 IYXUEZIIBQWYPJ-UHFFFAOYSA-N 421.505 1.875 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCC(=O)NC)cc1 1508100180 GBSPWMLNPJDJQQ-KRWDZBQOSA-N 412.494 1.415 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2noc(CC)n2)C1 1508131951 PJTIMXUYUMUUEW-HNNXBMFYSA-N 415.498 1.370 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)C1 1508328253 ZLSAGJIGLPLFOP-QGZVFWFLSA-N 405.462 1.882 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)N(C)C 1508421866 DLFZIRURGFTCTD-CQSZACIVSA-N 408.503 1.495 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCc3ccc(OCCN(C)C)cc3)CC2)c1C#N 1516424502 KKNPJXCPSGUGQU-UHFFFAOYSA-N 424.549 1.822 30 10 HDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)cn1 1517388614 UTVCXZCMXNLRRR-ZWKOTPCHSA-N 409.450 1.746 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539059582 HVZZOYIMOSSQHC-FQEVSTJZSA-N 421.549 1.886 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC1 1539446813 JRGPDJMDKOLEOP-LJQANCHMSA-N 410.522 1.505 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539519372 FKGQLRWQLBQZCH-MSOLQXFVSA-N 410.547 1.878 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1539744177 DMPPVLDNIDBNII-LLGFUMIMSA-N 419.526 1.596 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]3(Cl)C[C@H]4CC[C@H]3O4)CC2)cc1 1540728340 CVZMNRKZJAIFIN-KYJSFNMBSA-N 409.895 1.320 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540872813 BCIRKCPMLHWRHC-LJQANCHMSA-N 420.521 1.913 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540874911 VUPLOSIYRWUBNK-JOCHJYFZSA-N 424.505 1.327 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875947 CKMMEDLNOKYKOA-LAUBAEHRSA-N 421.542 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H](OC)C(C)(C)C1 1540902283 FPERCCDJWCYHFN-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE Cn1ncc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1I 1544172884 GOMWKYNQEGEFOZ-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1544469728 PAOOCXDZPNYKFB-ZHACJKMWSA-N 405.454 1.622 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1547323065 OFMFLUZSWAAMOW-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC12CCOCC2 1555669995 RNGQSLGVDAAJTK-IKGGRYGDSA-N 405.499 1.548 30 10 HDEE CC(C)[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 1557260426 GUOLEZFDXYOBGT-CRAIPNDOSA-N 407.536 1.919 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1 1562263574 PJNHAHNGSXWHII-QGZVFWFLSA-N 406.508 1.656 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564585256 FBZJTDCDACKQAY-IEBWSBKVSA-N 406.458 1.349 30 10 HDEE CN(C)c1nccc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1 1566887582 CZTHLWLETBHKFO-DBWCEAHUSA-N 414.510 1.946 30 10 HDEE CC(C)NC1(CO)CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1569366361 NOLWRSUGRNKXHA-UHFFFAOYSA-N 407.555 1.988 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3C[C@@H](N4CCCC4)C3)CC2)cc1 1570618150 FFFGQJMQGWTJEA-KDURUIRLSA-N 416.547 1.702 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)cc1 1570813723 MMVKNFLJJYZYBV-KRWDZBQOSA-N 408.520 1.942 30 10 HDEE C#CCN(C(=O)c1ccc(-n2cc(Br)cn2)nn1)C1CCN(C)CC1 1585115120 LSUMVHGSPJTGCV-UHFFFAOYSA-N 403.284 1.594 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O 1585780333 BBQHFPMCVYBHSW-OLZOCXBDSA-N 405.417 1.915 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 1585857365 GOQISCQLQZGYIE-KBPBESRZSA-N 402.517 1.114 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1587550020 HYADCUYGCAKOAD-QGZVFWFLSA-N 400.527 1.765 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nccs2)CC1 1587852143 RBORRRNIXJPCCR-CVEARBPZSA-N 413.551 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)C(C)(C)C 1588659427 IQMLBHRBIAGIBT-UHFFFAOYSA-N 419.551 1.563 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccco2)C1 1589059057 ANKSHFBRDCPSDM-HOCLYGCPSA-N 401.492 1.767 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCS(=O)(=O)CC1 1594760526 KOMVLCLLVVJOHT-UHFFFAOYSA-N 409.537 1.471 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCN2C=O)c1 1596612679 WWKJOLSIEDJITH-VVDBFAKWSA-N 406.508 1.839 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1596695816 HOTHEECIWTYRCG-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE CC1(C)CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1611788935 AHKPGCCQXRSNCO-UHHPSXQGSA-N 414.510 1.935 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@H]2C)cs1 1612412403 OXIOUYRJEXVFDS-RHSMWYFYSA-N 401.540 1.847 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NCC(F)F 1619408655 HWXIJTOTBFKYFB-ZDUSSCGKSA-N 406.437 1.855 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1F 1626975213 ZMWQYKJYZXTTSH-IMJJTQAJSA-N 416.540 1.933 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N[C@@H]1CC[C@H](C#N)C1 1627125180 BDWSQHMSZNKZBV-KHYOSLBOSA-N 421.519 1.959 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)c2ccc3c(=O)n(Cc4ccco4)c(S)nc3c2)C1 1630966288 LRPHLKXEAVPSRM-HXUWFJFHSA-N 410.455 1.817 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F)c1cc[nH]n1 1634260363 AKOLTUSSGRYDSJ-OCCSQVGLSA-N 422.388 1.967 30 10 HDEE C[C@@H](CC(=O)N(CCO)C1CCSCC1)/N=C1/NS(=O)(=O)c2ccccc21 1635529194 DBEQTHGCPNYLOU-ZDUSSCGKSA-N 411.549 1.220 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(OC)cc2OC)CC1 1636661004 WNFLMCSNJYGXDG-SFHVURJKSA-N 400.475 1.685 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)cn1 1637454920 GHKCECSFGCVHBG-PKOBYXMFSA-N 420.391 1.413 30 10 HDEE COC(=O)CC1(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 1639989575 ZKBPRYBBGKUCBC-UHFFFAOYSA-N 421.519 1.745 30 10 HDEE NC(=O)CC[C@H](NC(=O)CCCc1ccccc1)C(=O)NCC#C[C@H]1CCCCO1 1640380082 ALVAOUTZEYOIAT-UXHICEINSA-N 413.518 1.448 30 10 HDEE C=C[C@H](O)C(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1640936841 YOTYRAQPRPVYCZ-UBHSHLNASA-N 404.360 1.744 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)nc1 1641926708 CQLWSUSRTLNQTF-FQEVSTJZSA-N 408.458 1.947 30 10 HDEE CS(=O)(=O)Cc1nc(Cn2cc(C#N)c(I)n2)cs1 1644029682 SZQJVFIPSVSMPJ-UHFFFAOYSA-N 408.246 1.409 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)NCc1ccc(N2C[C@H](C)O[C@H](C)C2)c(F)c1 1644209928 LQLBKTWXQJARQI-IYBDPMFKSA-N 420.485 1.444 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)s1 1644315970 YCNXRUQAADTQIN-HNNXBMFYSA-N 421.544 1.647 30 10 HDEE COC(=O)[C@H]1CN(CCC(=O)N(C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 1644662457 WTQMPISKMOKYJI-OAHLLOKOSA-N 408.499 1.090 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)C2)c1 1647932585 HLAMTZOBXJCXIR-UHFFFAOYSA-N 402.451 1.689 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1648369772 QWJUWVUDEMQYOW-OAHLLOKOSA-N 417.462 1.819 30 10 HDEE CC1(N2CCC2)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1650951360 AXLHTKGBDOYBQW-UHFFFAOYSA-N 404.536 1.592 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@@H]2CC[C@H](C(F)(F)F)O2)c1=O 1652137062 VMTUTWGWZTZVQM-NWDGAFQWSA-N 403.357 1.333 30 10 HDEE COc1cc([C@H](C)NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1S(C)(=O)=O 1653859940 DDSSDDITLAYIPV-ZDUSSCGKSA-N 415.471 1.578 30 10 HDEE COC(=O)[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C[C@@H]1C(=O)OC 1655079860 OSJFDTZCHOOYLO-OKILXGFUSA-N 405.476 1.331 30 10 HDEE Nn1c(COc2ccccc2)nnc1SCC#CCN1C(=O)c2ccccc2C1=O 1656157976 JYFAFYGIJAEGQJ-UHFFFAOYSA-N 419.466 1.963 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccccc1OCCN1CCOCC1)C1CCOCC1 1667563605 CMGGHRKFOVRRHR-HXUWFJFHSA-N 401.507 1.625 30 10 HDEE N#Cc1cn(CCNC(=O)NCCc2c[nH]c3ccc(Cl)cc23)c(=O)nc1O 1669597530 HGIYCGLLIBINSY-UHFFFAOYSA-N 400.826 1.497 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)c1 1673630408 DTBMQUQXVQLEAS-UHFFFAOYSA-N 412.515 1.608 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](CO)Cc2cccc(Br)c2)nn1 1673802731 ROWBXLWWTMEIGY-AWEZNQCLSA-N 408.300 1.877 30 10 HDEE C#CCN(C(=O)NC1CN(c2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1676207351 SESNCSRQWBMVLU-MRXNPFEDSA-N 415.437 1.726 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CS1(=O)=O 1682385373 WOYNLQMHBKQYMZ-HNAYVOBHSA-N 404.536 1.788 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCCN(c3ccccc3C#N)CC2)c(O)nc1=O 1684856133 OEBFTPWKAXOTFD-UHFFFAOYSA-N 410.478 1.823 30 10 HDEE N#Cc1csc(CNC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)n1 1685524689 IJEVQJOESMMISU-JTQLQIEISA-N 407.253 1.535 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1689850590 DXFKTZHZWKTJHY-WFASDCNBSA-N 407.565 1.954 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCOC1 1690004789 GQAPWMWTGGHODF-QFIPXVFZSA-N 402.458 1.559 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@](C)=O)cc1 1690056340 OMRPCEZOTWGMRY-LJAQVGFWSA-N 413.547 1.900 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCn1cnnn1 1690089662 JIPXPFUUOOGCGH-UHFFFAOYSA-N 420.456 1.534 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCSC1 1690093899 NPBYICOEZVKVQE-PMACEKPBSA-N 424.567 1.273 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1690144209 PMPUORCZPLTKFB-RBUKOAKNSA-N 415.538 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)C(C)C)CC1 1690145966 BYCKSBMSMDJIJE-IBGZPJMESA-N 416.570 1.478 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(N)=O)C1 1690237134 VWHHVHSZRKTADF-UXLLHSPISA-N 418.542 1.489 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC 1690264964 HRKZRBIHERYHEV-HNNXBMFYSA-N 411.572 1.745 30 10 HDEE C=CCCCCCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1690447765 WLPOUFZFHMZAGR-OAQYLSRUSA-N 404.559 1.763 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690548957 UUGPENRUQIDNAP-QGZVFWFLSA-N 416.551 1.700 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1690671580 ZCBWBASSNQKRHN-SJORKVTESA-N 419.526 1.106 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690674395 ZFOJGNDPRHZDDQ-HNNXBMFYSA-N 423.564 1.246 30 10 HDEE CC1(C)CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692855916 GVIVJGHAXQDJEV-HTXNQAPBSA-N 422.493 1.888 30 10 HDEE C=CCC(CC=C)C(=O)N(CCO)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1702647580 UYDZKWFAXXIHJL-ZJKGHYPUSA-N 402.535 1.990 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N(C)C1CCN(CCn2cccn2)CC1 1705532381 MVOZKQSKIINAKK-LJQANCHMSA-N 411.554 1.993 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OC(F)F 1705551842 SAUBHBLTXFMAAR-CQSZACIVSA-N 410.446 1.899 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1705626543 ZTCFWBISFNWBKB-UHFFFAOYSA-N 411.441 1.323 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC=CCO2)CC1 1705634701 GKWUEUVHIXTKFV-NQIIRXRSSA-N 401.511 1.031 30 10 HDEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705723003 URTAQOFNAGXNPI-BXUZGUMPSA-N 424.299 1.972 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1705863502 VOYUPYXEZJQOQQ-QFIPXVFZSA-N 411.506 1.745 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705890140 YYXJWPRPYTWNEE-KVSKMBFKSA-N 412.542 1.668 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](n2cncn2)C1 1705905119 KFPCZLHYDLHNAB-LJQANCHMSA-N 420.521 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cc2)C1 1705917143 VAMFNSPZXCSPLU-WMLDXEAASA-N 423.514 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(O)(Cc2ccc(F)cc2)CC1 1705930790 VVFMWLYDHSIEAO-UHFFFAOYSA-N 422.526 1.900 30 10 HDEE CC(C)c1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706288079 PRXJIEKKPLBHCW-ZJYNUGOYSA-N 414.510 1.933 30 10 HDEE COCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1712614091 ABIQCRYICXRXHG-UHFFFAOYSA-N 413.482 1.718 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722312660 HXUWQBHZMBJCRY-UHFFFAOYSA-N 407.478 1.664 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1722353598 YDCOISHHHUOKHC-INIZCTEOSA-N 404.540 1.603 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@H](CO)O1 1722423667 LRTWQUSVRWEFLV-JKSUJKDBSA-N 405.886 1.619 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722453508 VLOSRWGHMGWECL-MRXNPFEDSA-N 418.567 1.376 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1722458995 ZTLNAFGDVTWTHK-INIZCTEOSA-N 419.551 1.718 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C(F)(F)F)C1 1722689755 YVOOJOBGHXAPIB-QWHCGFSZSA-N 421.420 1.072 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCS[C@H](C)[C@@H]1C 1722724750 FAHAPBHMIABMFR-UONOGXRCSA-N 415.585 1.347 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CCNS(C)(=O)=O 1722868952 FNMHUODDKIZSTN-ZDUSSCGKSA-N 410.475 1.141 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)CC1 1724012524 UCKCQLVVJOHXNA-IAGOWNOFSA-N 416.526 1.802 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)C1 1728681191 INMNDJQJMTXSIM-GVDBMIGSSA-N 418.498 1.865 30 10 HDEE CN(Cc1cnccn1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729432931 HKNPQROMIBCYCM-CZIZESTLSA-N 422.493 1.889 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)C[C@H]1O 1729782730 LBWNNIWRPHBWLN-RTBURBONSA-N 423.473 1.524 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)COCCO1 1730302779 ZOLTVZWHJBQKFE-UTKZUKDTSA-N 413.478 1.412 30 10 HDEE C=CCOCC(=O)N[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1736311332 CELAFFXMFHXGMO-SGTQZHETSA-N 404.507 1.126 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)NC 1740558768 HJKFNVHONWMFNU-OAHLLOKOSA-N 407.565 1.886 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1740623127 OXKLIWCSPZIJCL-INIZCTEOSA-N 401.492 1.234 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740628684 ZNTJBSBHYPXIKH-IXDOHACOSA-N 406.508 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1740985628 KEGSSVRAOZELOV-KGLIPLIRSA-N 406.574 1.260 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1741000254 NXWGNMJPWVOHAA-HNNXBMFYSA-N 410.569 1.611 30 10 HDEE CC(C)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1741629601 VPFUBHNTMRURES-ZCXUNETKSA-N 415.542 1.632 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1NC(=O)CC1(C)C 1748901338 WSMBXGRVRMQNTC-GOSISDBHSA-N 407.522 1.517 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCSCCCO)CC1 1748980045 XGILADOIMHTIJJ-UHFFFAOYSA-N 415.563 1.825 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1749021815 AWRBCXHTKNNVSS-JLTOFOAXSA-N 418.567 1.973 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1749193266 DKIMRRBQSJSEES-ZWKOTPCHSA-N 404.559 1.785 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1749211517 ZNEOSDGANWWILZ-NRFANRHFSA-N 418.542 1.648 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CC1(O)CCS(=O)(=O)CC1 1749571002 GWCUINFPRSTUDC-UHFFFAOYSA-N 405.524 1.402 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(CC)C(=O)C1 1749671757 IBYZIUFEUIOIIZ-UHFFFAOYSA-N 414.485 1.369 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCO[C@H]2C)C1 1749713953 BOPJUQICBMGLTB-NQYLQCIDSA-N 419.551 1.955 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749754796 SBBBVBAKPMQSGZ-UHFFFAOYSA-N 406.556 1.649 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1750070705 UULWIPDPKGTLPY-SOUVJXGZSA-N 423.477 1.730 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1NC(=O)CC1(C)C 1751928201 IRSIKDDOUUHHAS-GOSISDBHSA-N 411.485 1.839 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCNC(=O)c1ccco1 1757765464 MESKTEDDRVFCDD-NRKLIOEPSA-N 401.463 1.239 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OCC)CCOC1 1760143215 ZEFXXARUHUHLSE-RTWAWAEBSA-N 401.511 1.593 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccnc(OC(F)F)c1)[C@H]1CCS(=O)(=O)C1 1760180344 CMCUVMTYMLSXML-AWEZNQCLSA-N 411.434 1.258 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1760249837 ATMQHQBAZNGMCB-FQEVSTJZSA-N 404.898 1.760 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@H](C)N(C)C)CC1 1760262479 ZBUMOZMFRQMMQP-PXNSSMCTSA-N 410.522 1.496 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O 1760319674 PAQFVVXCOHOXOT-QZTJIDSGSA-N 419.551 1.912 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(C)(=O)=O 1760336096 UWIHSBPLZSVIAO-GDBMZVCRSA-N 406.512 1.197 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccnn2)CC1 1760365162 PFDOMASUPIYEGM-UHFFFAOYSA-N 402.890 1.383 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)C2CCC2)CC1 1760381600 SCLHQGHQHDRDEW-UHFFFAOYSA-N 400.527 1.977 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1760449262 FNYHUGXOVZMAFX-IAGOWNOFSA-N 412.494 1.875 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC2CC2)C1 1760549646 JFHZYOGUSSJLBJ-SFHVURJKSA-N 413.526 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC(N)=O 1760553211 OHNUZFSOMUUGQH-AWEZNQCLSA-N 416.507 1.118 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)C1 1760594127 ARSAGVWYVRJYLU-ROUUACIJSA-N 414.535 1.918 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCS(C)(=O)=O)CCOC1 1761275134 SQTVYLIHHMJIOJ-QAPCUYQASA-N 413.544 1.492 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1761544556 GWBBWJZHRBKNFO-PXNSSMCTSA-N 414.535 1.829 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1768145319 VQZHKGUNWXDJKS-QKLQHJQFSA-N 407.515 1.718 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC2CCOCC2)cc1 1770738249 HJTRBCQJUHWREE-UHFFFAOYSA-N 424.505 1.857 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2CCOCC(F)F)cc1 1770739136 YBAIAGFWWXNSFW-CQSZACIVSA-N 420.420 1.322 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCCOCC(F)F)CCN1C1CC1 1771537388 NKRALIRNJDSCOS-HNNXBMFYSA-N 418.452 1.583 30 10 HDEE CN1CCC(n2nnc3c2C[C@@H](C(=O)ON2C(=O)c4ccccc4C2=O)CC3)CC1 1772792087 KHJIHESYHQTRNA-ZDUSSCGKSA-N 409.446 1.404 30 10 HDEE CCOc1ccc(N2CCN(C(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2)nn1 1851971906 HMYORFQJYYXGHN-UHFFFAOYSA-N 406.450 1.369 30 10 HDEE C=CCOC(=O)[C@@H](CC(=O)NC1CCN(c2nccn(C)c2=O)CC1)c1ccccc1 1852067560 AEUOOKWZOIMGTQ-IBGZPJMESA-N 424.501 1.768 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccccc3Cl)CC2)n1 1853129457 UCGWWLJKPHDYKN-SFHVURJKSA-N 424.892 1.841 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccncc3)C3(CCCCC3)C2=O)CC1=O 1853908770 AIYHSDYLZGYORC-IBGZPJMESA-N 410.518 1.990 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](F)CC(F)(F)F)C(=O)C2)cc1 1854038644 TXZBYPODHUQPON-GFCCVEGCSA-N 407.345 1.208 30 10 HDEE CN(C)C(=O)C1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1854051676 ZYNDFBPFBIBQHY-SFHVURJKSA-N 416.909 1.947 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCCC#N 1854308987 HVOVUILYBGIMPP-UONOGXRCSA-N 414.453 1.994 30 10 HDEE CCOc1ccc2ccccc2c1C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854474357 SQZCKSITOWBPJF-UHFFFAOYSA-N 401.444 1.376 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cnccn1 1854516157 HBWPMLGJLIDPMU-UHFFFAOYSA-N 412.471 1.959 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1854828213 QSJYQHLKQORIKC-RDJZCZTQSA-N 416.547 1.752 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCO3)C2=O)CC1 1854864556 XATRNWKYRUJYRN-RTBURBONSA-N 412.490 1.741 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(C4C(=O)CCCC4=O)CC3)CC2=O)cc1 1855803197 LUUHCBMKMBSHPT-SFHVURJKSA-N 407.470 1.950 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)CCN1CCC#N 1856189750 VLIOSXKSLYRIOA-GFCCVEGCSA-N 401.467 1.845 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1856234464 ZGBGHIKSOIMRBZ-IBGZPJMESA-N 406.486 1.954 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3nccc4ncccc34)C(=O)C2)cc1 1856369556 ZWCZTUQZTSPJES-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC(N4CCCC4=O)CC3)CCC2=O)ccn1 1856956787 QSBPTHPZJOXRJA-MRXNPFEDSA-N 409.490 1.419 30 10 HDEE COc1cc2cc(C#N)c(SCC(=O)NCCN3CCOCC3)nc2cc1OC 1858203249 WZIJAIMWVBRNRG-UHFFFAOYSA-N 416.503 1.664 30 10 HDEE C=CCn1cc(OCCOc2ccc(C)cc2)c(=O)cc1CN(CCO)CCO 1870773204 VTKUEZUSZVSKEZ-UHFFFAOYSA-N 402.491 1.587 30 10 HDEE CCCCCCCCN1C[C@H](C(=O)N2C[C@H](C)NC(=O)[C@H]2CC(=O)OCC)CC1=O 1872999269 CWVMYQHKWAETQH-RCCFBDPRSA-N 423.554 1.864 30 10 HDEE N#Cc1cncc(C2=CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)c1 1890976889 RNDXRCNVBUGDSM-QGZVFWFLSA-N 400.504 1.773 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)CC1 1891702934 QOEUNWIPUZMETQ-MRXNPFEDSA-N 406.508 1.242 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CCO[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1951334094 DVHAWIHCWLDFBW-ODXCJYRJSA-N 402.403 1.767 30 10 HDEE COC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 1985176967 RSGANLJLTFIJEU-SFHVURJKSA-N 414.506 1.859 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010395847 LGOQYFGYGQBIBV-ZDUSSCGKSA-N 422.291 1.254 30 10 HDEE O=C(N[C@@H](CS(=O)(=O)CC#Cc1ccccc1)C(=O)O)OCc1ccccc1 2074676943 WGNDLAZABNPSGT-SFHVURJKSA-N 401.440 1.833 30 10 HDEE CCOC(C)(C)CS(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2144937553 OXCQZQGWKQPTBL-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)cc1C#N 2174787084 QGUZGPTZNIRJJV-LBPRGKRZSA-N 408.402 1.996 30 10 HDEE CN(C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)[C@@H](CC(=O)O)C(F)(F)F 2180575699 VRZHIWPIUSMZMN-NVNXEXLPSA-N 406.201 1.850 30 10 HDEE CN1CCN([C@](C)(CN)C(F)(F)C(F)(F)F)[C@H](CNC(=O)C(F)(F)F)C1 2195021296 DWEUYNWYEWODJB-PSASIEDQSA-N 400.314 1.196 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CCNS(=O)(=O)c2ccc(C#N)s2)C1 2230128282 XFNNAZSZOGAASA-INIZCTEOSA-N 401.510 1.660 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@](O)(C(=O)C1=CCS(=O)(=O)CC1)C2 2232542785 NWZWRWQXMKJGJI-FLTUCWPJSA-N 403.472 1.541 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N[C@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2243702449 OMTDHCFQWJAKQC-ZFWWWQNUSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)COC1 2244548788 UPHNUTUYKICZOV-UHFFFAOYSA-N 408.304 1.669 30 10 HDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247917956 MUYMLJBKUABPSJ-GXTWGEPZSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247927182 DRFGMVYHVUDOEE-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE C=CCCC1(C(=O)O)CN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2255004073 PKKOYAIXQNRPIR-UHFFFAOYSA-N 406.460 1.355 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2255806619 HZPBCNZCDKLDGB-GOSISDBHSA-N 424.354 1.971 30 10 HDEE CC(C)(CNC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2281797638 XQXKOHGQGXZNMA-UHFFFAOYSA-N 401.359 1.848 30 10 HDEE CCc1nc(C(=O)N[C@H](C)[C@H](CO)SC)c(B2OC(C)(C)C(C)(C)O2)s1 2282031587 UYUUBELEDSNUJA-MNOVXSKESA-N 400.375 1.847 30 10 HDEE CC[C@@]1(N)CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332476 BLZOXYZTRSIWHX-QGZVFWFLSA-N 400.375 1.939 30 10 HDEE CCN(C1CN(C)C1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282419918 SNZHDTMXRFULBS-UHFFFAOYSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](CCO)C2)OC1(C)C 2282493661 XIKJTSUURBEXAW-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H](CO)C3)ccc2Cl)OC1(C)C 2282499730 RRYIROZODGRNEE-GFCCVEGCSA-N 401.721 1.642 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282525134 IVBNCAKEGFFTEH-WDEREUQCSA-N 402.347 1.336 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282596142 CWIPJAYEIDFRGY-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE C[C@H](O)C[C@@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838120 JHGFDZRWZJNUGA-NEPJUHHUSA-N 404.363 1.269 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@H]1CCCSC1 2282852014 KGWLNBIFKUUHDK-LBPRGKRZSA-N 401.363 1.141 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)CN1 2282867223 VPQJGJFRWWPUQY-VXGBXAGGSA-N 400.737 1.668 30 10 HDEE C[C@H]1CNCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282867351 XOXWBPSOUCDSON-GXTWGEPZSA-N 400.375 1.465 30 10 HDEE C[C@H]1CCN(CCNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2290370143 LJJYLRXCRFQFHP-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC2)n1C 2315589416 NYXVUBOUMAWOQM-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE O=C(C=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2323149797 SVJKOLOGDWHOSV-UHFFFAOYSA-N 411.374 1.829 30 10 HDEE C#CCCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2338793759 ZJRDGVHOJWRBSQ-GOSISDBHSA-N 424.519 1.958 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339662616 MAZOXUBNYFOCLF-STQMWFEESA-N 401.554 1.733 30 10 HDEE C=CC[C@@]1(CO)CCCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2360591503 XHXRHZPKHJFKTC-KBXCAEBGSA-N 404.529 1.102 30 10 HDEE COC1([C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCC1 2365200483 YTFYOFNTHLUEEL-LSDHHAIUSA-N 402.557 1.993 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@H](N)C#CC(C)(C)S(C)(=O)=O)OCC12CC2 2365205121 RYPGCYHOBJTLNB-CABCVRRESA-N 400.541 1.699 30 10 HDEE COCC[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367786107 GRRBETRWKHUGLN-KXBFYZLASA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OC[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367789755 SEWAHVFFPBBXOD-CVEARBPZSA-N 400.541 1.701 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2367790069 TWQYCCQZCGRFEW-HRCADAONSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](COC)NC(=O)OC(C)(C)C 2367802989 GVNMOHUMSOPLKE-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367809060 JMSDTMXXVSWHSU-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367812006 OJEYEOCUUADOED-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCC[C@@H]1NC(=O)OC(C)(C)C 2367830777 LTISXAPHXLMCRI-VCBZYWHSSA-N 400.541 1.353 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 27903073 HSUXGCMSWMRYPG-SNVBAGLBSA-N 420.382 1.629 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 109016030 LALCNKOGARDVEZ-IBGZPJMESA-N 402.514 1.484 30 10 HDEE CCC1(CC)CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCS1(=O)=O 425935656 FAIBDLVVIVJDLD-UHFFFAOYSA-N 415.519 1.972 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 435598933 QXCDIYWKAVWYGJ-QAPCUYQASA-N 414.549 1.731 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 438743199 CUZIZVDTRPJQIC-UHFFFAOYSA-N 409.494 1.982 30 10 HDEE CC(C)(C)CN1CCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1=O 461387414 KTSHTRIBFXQSEB-GOSISDBHSA-N 418.563 1.902 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 468374952 ZAKAZDBBDGPLEO-JOCHJYFZSA-N 408.458 1.821 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccn2)C(=O)OCC)c1 469943944 KAYPCILDFJOARM-GOSISDBHSA-N 417.487 1.450 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1COc2ccccc2O1 474589573 MMBSLOQHPVPQTP-HIFRSBDPSA-N 401.444 1.181 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCC(=O)Nc2ccc(-n3cccn3)cc2)c(F)c1 481055899 UNBYTWKZJGPQAC-UHFFFAOYSA-N 413.434 1.941 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 482169737 KTLGRONWMLZNJN-KDOFPFPSSA-N 412.471 1.147 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)nc2)CC1 482784802 YAEURSGBMQNFKW-UHFFFAOYSA-N 420.878 1.762 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(c4cccc(F)c4C#N)CC3)ccn2)CC1 485796073 UFOKVAARLIOOED-UHFFFAOYSA-N 408.481 1.807 30 10 HDEE Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN3CCN(c4ncccc4C#N)CC3)n21 506945767 JXMSWMNGLXNODS-UHFFFAOYSA-N 414.473 1.479 30 10 HDEE Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(c2ncccc2C#N)CC1 508547106 BMQFZOFYVOHDPD-UHFFFAOYSA-N 413.445 1.724 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)C(C)(C)C1 508929798 CFHMCSBIDQSNRK-UHFFFAOYSA-N 404.492 1.916 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1F 514648584 HNAHLAGOHSCMIY-UHFFFAOYSA-N 423.444 1.982 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCc1cc(F)c(C#N)c(F)c1 519656302 WRTKHCNYIQRJFF-SNVBAGLBSA-N 411.434 1.170 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(F)ccc2Br)CC1 524517439 GAQXIPRGAPQHHE-UHFFFAOYSA-N 413.291 1.718 30 10 HDEE C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 524690149 FLTIYYMBRXISLE-PIKADFDJSA-N 417.531 1.845 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCCN=c2cc[nH]cc2)c1C 534926910 VBXFPISXGHGADA-UHFFFAOYSA-N 403.446 1.345 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)CCCC1 544745289 ACXZMXZRCAJDPC-UHFFFAOYSA-N 416.547 1.607 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](CN2CCCc3ccccc32)C(=O)O)ccc1F 547888971 NMNHGZJCCFHFIF-KRWDZBQOSA-N 403.435 1.882 30 10 HDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 549370030 JURFWSHLQVAEEU-DOTOQJQBSA-N 402.495 1.737 30 10 HDEE C(#CCN[C@@H]1CCCC[C@@H]1N1CCOCC1)CN[C@H]1CCCC[C@@H]1N1CCOCC1 551449210 UBOQNNWPCSZDIB-KIHHCIJBSA-N 418.626 1.456 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590324359 LYDOTXVNBQPBRO-WMZOPIPTSA-N 404.474 1.901 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ccc(C#N)cn2)CC1)c1ccc(S(N)(=O)=O)cc1 604286547 NLMOFJUTNPWSFH-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(C#N)c(Cl)c1 608827476 FQKAPAVRJDPQSX-UHFFFAOYSA-N 420.881 1.673 30 10 HDEE CSc1nc(O)c(C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)cc1C#N 609555222 GIJBADQIWSZXPA-UHFFFAOYSA-N 406.489 1.707 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](OC(F)F)C3)C2=O)cc1 611587547 XSLFSPQIFUZFCU-LSDHHAIUSA-N 406.389 1.993 30 10 HDEE CCOC(=O)C1=C(C(=O)c2cccnc2)[C@H](c2cnn3ccccc23)NC(=S)N1 729662442 KXPUJOGTWYXBQZ-INIZCTEOSA-N 407.455 1.948 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)C(=O)Nc1cc(C(F)(F)F)ccc1F 737305259 GCECHBCEBTYTTN-BUHFOSPRSA-N 414.315 1.426 30 10 HDEE CN1C[C@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCC1=O 737954484 CVRIZSFHLRZDSN-CQSZACIVSA-N 406.508 1.023 30 10 HDEE COC(=O)[C@H]1CCCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 738906039 OTIONSGECLSOFZ-HGNXGAGXSA-N 422.507 1.916 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@H]1NC(=O)OC(C)(C)C 741085913 HLVMSONFXXXXLZ-BKJYESAMSA-N 421.498 1.458 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742525304 DGKBSGPUGFURLI-CQSZACIVSA-N 420.535 1.267 30 10 HDEE C#CCN(C(=O)CCN1CCN(c2cccc(C)c2)CC1)[C@@H]1CCS(=O)(=O)C1 746153219 UPMFXOJJVLDKAS-HXUWFJFHSA-N 403.548 1.156 30 10 HDEE COc1ccc(CNC(=O)NCc2cccc(C(=O)NCCN(C)C)c2)cc1C#N 746720883 CZSFVOKGSQNBEO-UHFFFAOYSA-N 409.490 1.858 30 10 HDEE N#Cc1ccc(C(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 748262942 YFRWKLYBUPAZMA-OAQYLSRUSA-N 417.421 1.760 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)Cc1cccc(C#N)c1 749351366 KAMSWVOLHVUNSP-UHFFFAOYSA-N 400.479 1.638 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCCC1 756911513 UNKXIAQZECPTJV-UHFFFAOYSA-N 408.524 1.002 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 758060130 RJPMQOPKNBNDHP-OAHLLOKOSA-N 417.494 1.242 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 763783183 PWSSLSNWHIHIFT-FUHWJXTLSA-N 418.471 1.156 30 10 HDEE C=C(C)C[C@H](C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 767701749 ZXRZDQOLDNQQRA-HNNXBMFYSA-N 413.474 1.989 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 772945835 ZHHZDAQGXILSFC-GDBMZVCRSA-N 407.492 1.195 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(-c2cccc(F)c2)no1)[C@H]1CCS(=O)(=O)C1 774240852 KCMSTTMJGLWAPI-DOMZBBRYSA-N 406.439 1.769 30 10 HDEE CC(C)CN(C(=O)COC(=O)/C=C\c1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 775075657 QDLYIXASRPJVIK-JTHGQSKGSA-N 404.488 1.786 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@H]1Oc1ccccc1 776137398 FVJJZEWSADAEKM-XSNJQHCESA-N 414.462 1.437 30 10 HDEE COC(=O)c1[nH]n(-c2ccc(C#N)cc2)c(=O)c1CCOC(=O)[C@@H]1[C@H]2CCCO[C@H]21 780334480 QRZYZJNHKBJYRX-QGPMSJSTSA-N 411.414 1.335 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 787057745 XKDXNHDOMDEFOU-QAPCUYQASA-N 406.398 1.973 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)[C@@](C)(O)Cn2ccccc2=O)c1 790685282 KGPZSFVMHPWHNK-QFIPXVFZSA-N 411.458 1.706 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 796096573 FLGQCVCYQDCISD-QGZVFWFLSA-N 406.529 1.816 30 10 HDEE COC(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)no1 798245361 WBOLGOGJJNWIQM-HMMYKYKNSA-N 406.420 1.526 30 10 HDEE Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798745772 VKIVDYHFKFHKIS-INIZCTEOSA-N 421.461 1.432 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 805766829 CMFHCJKMXKVYLP-LSDHHAIUSA-N 405.442 1.743 30 10 HDEE N#Cc1ncccc1COC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1 813166705 GVWIFVYMJCWBSD-VQFGERMISA-N 404.426 1.800 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)n1 856670446 IQODLUQOHNRDOG-UWJYYQICSA-N 400.479 1.507 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 858059191 LMYXWSXENMTADY-DOTOQJQBSA-N 414.487 1.608 30 10 HDEE C=CCC1(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CCOCC1 1125031797 FEQNMDZZEWBBAJ-UHFFFAOYSA-N 414.462 1.878 30 10 HDEE Cn1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c(I)n1 1127914488 XFYHGKWODJFPKF-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE Cc1cnn([C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(=O)NCC(=O)NCC#N 1128802446 YWURHVQUVDAGJS-AWEZNQCLSA-N 404.471 1.133 30 10 HDEE C[C@@H]1OCCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@@H]1C(F)(F)F 1131406048 WYQZNFRSRYOUTA-PEYYIBSZSA-N 424.379 1.941 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCCn1cnc2cc(OC)c(OC)cc2c1=O)C(=O)OC 1132422459 TZUSZGGWDMZSAJ-MRXNPFEDSA-N 417.462 1.818 30 10 HDEE C#CCN(CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@@H]1CO)C(=O)OC(C)(C)C 1137442026 RVXNWKOZVOAFSL-UXHICEINSA-N 415.534 1.856 30 10 HDEE CN(C)CCn1nccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1141821028 HQPASDULMVWZGS-RELWKKBWSA-N 418.523 1.510 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccc([N+](=O)[O-])o1)C1CCOCC1 1148195070 SUIKCGMTZLFXQP-KBPBESRZSA-N 409.464 1.584 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)c2cnn(CCC#N)c2C)CC1 1152002288 HSQDVMFKQNSTSZ-UHFFFAOYSA-N 410.478 1.510 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2nc3ccc(Br)cn3c2F)CC1 1155493990 DWBZDXZOXZTDML-UHFFFAOYSA-N 407.243 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCC[C@@H]12 1160097800 PYEVXKACPIXASA-HJLLIMSVSA-N 418.494 1.951 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1175170144 STRCIPOPVUIVDT-XOBRGWDASA-N 410.467 1.200 30 10 HDEE N#C[C@]12CN(C(=O)c3cn4ccc(Br)cc4n3)C[C@H]1CS(=O)(=O)C2 1179652765 SMJGKFOSPPYUDB-ZUZCIYMTSA-N 409.265 1.107 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(Br)c(C#N)c1)CN1CCN(C)CC1 1186919673 FPRWCARPAPKEIW-ZDUSSCGKSA-N 415.357 1.483 30 10 HDEE CN(CCc1cccc(C#N)c1)CC(=O)NCCc1ccc(S(N)(=O)=O)cc1 1197117196 YRBKSDFVDOYAIY-UHFFFAOYSA-N 400.504 1.039 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](O)CC3(CCOCC3)C2)CC1 1197245923 IWTMTYDSORDVLI-ROUUACIJSA-N 418.563 1.320 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc21 1230458250 LQAHZBGWMMTWLV-ZSZQSSIHSA-N 402.476 1.064 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CCC1 1251910749 SZHOGNVMBHZYJX-MRXNPFEDSA-N 405.524 1.754 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1286323736 MPAAZEPYZXBBIY-MRXNPFEDSA-N 415.519 1.647 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286376654 HVVXYEGSFCLULO-UHFFFAOYSA-N 412.494 1.627 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1 1286411541 XWXKIBZOUQLFJH-OAQYLSRUSA-N 419.577 1.610 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1 1286426163 MECFLADNJZAQRV-UHFFFAOYSA-N 412.457 1.839 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1286449671 CBCTXGHIJDNNPY-LJQANCHMSA-N 415.586 1.134 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCSC2(C)C)CC1 1286480238 SVFMFDGWQWBKEE-JKSUJKDBSA-N 402.568 1.516 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)[C@H]1CC 1286534375 AZXGQVZNXJCECB-QWHCGFSZSA-N 416.320 1.626 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286559476 WUSGLTHRLZFPLH-QAPCUYQASA-N 411.572 1.730 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286559716 YBFLLEIQXFSYHB-NQIIRXRSSA-N 418.586 1.716 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2CCS(=O)(=O)N(C)C)CC1 1286636822 KNPUROORBLMOHS-UHFFFAOYSA-N 412.560 1.244 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC2(CCOCC2)C1 1286779155 OXADGGQSQSPBKX-UHFFFAOYSA-N 416.526 1.213 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N(C)C[C@H](C)C(=O)NC 1286784439 HMZGDHWQWBOAQV-HNNXBMFYSA-N 421.505 1.614 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1286788364 VILWTEMGDOWCNP-IAGOWNOFSA-N 419.526 1.596 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286796680 VAKPKTPMYRFRPK-KRWDZBQOSA-N 421.505 1.993 30 10 HDEE Cc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)nn1-c1cccc(C#N)c1 1288337905 FPLJLCZCGKOHMG-UHFFFAOYSA-N 420.517 1.998 30 10 HDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1290803107 FDOOBRZGBPFVEW-QGZVFWFLSA-N 415.519 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)s1 1291624611 SLDGDQXTSRFONG-AWEZNQCLSA-N 410.521 1.769 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H]1COCCO1 1300277091 WMKPDJGEGGLTQO-GXTWGEPZSA-N 408.300 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1300313853 QASLMRHIWATOSI-HNNXBMFYSA-N 420.510 1.406 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NCC)CC1 1300337202 VYWYIRGYUWJKJV-UHFFFAOYSA-N 417.558 1.852 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1300368465 WWIJCXDOXPITFY-UHFFFAOYSA-N 402.524 1.149 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300412842 IQYUYJCHIATYAM-KRWDZBQOSA-N 419.493 1.209 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N(CC)CC)nc1 1300545012 JUXGBJFVPOPUDT-UHFFFAOYSA-N 419.533 1.763 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCC[C@@H]2C)CC1 1300698071 MPQBYBGTIJXAHS-RBUKOAKNSA-N 413.570 1.249 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCS(C)(=O)=O)CC1 1300701214 KXCWPESAEZACEY-UHFFFAOYSA-N 421.954 1.322 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1300806172 QWAAZOKRFPWGHC-FOIQADDNSA-N 421.567 1.477 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1300883938 GGRMARDUXKGUEF-HPFXQQBRSA-N 416.526 1.173 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(=O)NCC)CC1 1301130189 RDEHKBGCZVYQHP-UHFFFAOYSA-N 402.543 1.965 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301136819 FCXUQDMWCACPFP-LIRRHRJNSA-N 424.571 1.207 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1301609652 MPIMXAHSOJBKMZ-JYJNAYRXSA-N 407.540 1.533 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)COc2ccc(C#N)cc2OC)cc1 1302529855 OHTGDPJUTAPUJK-UHFFFAOYSA-N 403.460 1.213 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCOC2)C[C@@H](C)O1 1305205408 HPHUEQWYVHWCKL-ZOCZFRKYSA-N 413.478 1.494 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 1307783551 IKESRGHKQFHZGX-WWMYMODYSA-N 400.479 1.284 30 10 HDEE C[C@@H]1COCCN1CCNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1309153298 FHSFOARAZCLDJZ-SNVBAGLBSA-N 406.277 1.459 30 10 HDEE C#C[C@H](NC(=O)NCCCNS(=O)(=O)c1ccccc1Cl)C1CCOCC1 1312589381 PSLTXJHKWKWAII-INIZCTEOSA-N 413.927 1.736 30 10 HDEE Cc1c(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)cnn1CCC#N 1355720725 QYPLUIQRNQUIKP-NRFANRHFSA-N 420.517 1.841 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)[C@H]1CC 1358924399 VOBNYQJILWRRRU-QGZVFWFLSA-N 405.466 1.049 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1358930617 ZCAXKYMBYDXMGT-SJORKVTESA-N 419.551 1.185 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCCCO 1358976421 DOXRLGAPXHCZDH-UHFFFAOYSA-N 418.501 1.910 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCN(CC)C2)CC1 1359030928 KMUMPDJKOHCWLX-SIKLNZKXSA-N 416.570 1.027 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1359307100 ALTMEZDNEKVFGT-INIZCTEOSA-N 407.478 1.603 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359342330 VELJNABQHJKECS-OAHLLOKOSA-N 416.555 1.997 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)c3ccnc(N4CCOCC4)n3)CC2)nc1 1435599513 INZGMSYBGNUBCG-UHFFFAOYSA-N 408.462 1.700 30 10 HDEE C=CCn1cc2ccc(NC(=O)c3cnc4c(c3CC)c(=O)n(C)c(=O)n4C)cc2n1 1439616337 ASGJOPMSVURVGG-UHFFFAOYSA-N 418.457 1.983 30 10 HDEE N#Cc1cn(CC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)c(=O)nc1O 1441184033 BNBRTSASDDZIGE-UHFFFAOYSA-N 415.453 1.700 30 10 HDEE C=CCN(C(=O)c1c(I)n[nH]c1C)[C@@H]1CCS(=O)(=O)C1 1442031304 HMUKGPFQFNENJY-SECBINFHSA-N 409.249 1.138 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)OC2CCCC2)s1 1445147980 CFILKWGKSOIFFF-LBPRGKRZSA-N 400.522 1.745 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1452271939 WRDSDQIWEMQNDI-XKQJLSEDSA-N 414.462 1.857 30 10 HDEE N#Cc1ccc2nc(NC(=O)[C@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)[nH]c2c1 1454326416 HXWJFWMSPUMBDG-KBXCAEBGSA-N 407.405 1.717 30 10 HDEE CN(C)CC#CCNC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1454637188 GGUYEMRYYJTWMP-UHFFFAOYSA-N 417.556 1.790 30 10 HDEE C#CCN(C(=O)c1coc(S(N)(=O)=O)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1455813490 RDVLOBLCZRZTGX-UHFFFAOYSA-N 411.480 1.402 30 10 HDEE C=CCN(C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@H]1CCS(=O)(=O)C1 1459686760 MWJTULALQQNYEL-JKSUJKDBSA-N 400.541 1.830 30 10 HDEE C#C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccccc1 1461146129 HPHLXLOZQDQQOW-LBPRGKRZSA-N 400.236 1.383 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CCN(c2ccccc2C#N)CC1 1464684316 FLPBKBXFZWVIFF-VGSWGCGISA-N 414.506 1.967 30 10 HDEE C[C@@]1(C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)CCC(=O)N1 1464963775 OFKYPBJRAYJGJS-QAPCUYQASA-N 405.296 1.827 30 10 HDEE C[C@@]1(C2CCN(C(=O)c3ccc(Br)cc3C#N)CC2)NC(=O)NC1=O 1465434805 DVGILWRWUAUZCD-KRWDZBQOSA-N 405.252 1.771 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 1468313168 WKVVZEUUXUOESG-WOJBJXKFSA-N 415.534 1.829 30 10 HDEE CC1(C)Oc2ccsc2[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1O 1468877253 KUWCKBWFUAOKIE-AEFFLSMTSA-N 420.512 1.924 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2c(Br)cnn2C)cc1 1471077875 DXLZWLCOFBFAMT-UHFFFAOYSA-N 411.281 1.024 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCc3nc(COC)ncc3C2)s1 1471092034 VCJTVLGXVQGFJQ-UHFFFAOYSA-N 422.532 1.276 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1471251177 NEUFUGFADFPXEK-OAHLLOKOSA-N 420.491 1.055 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ncccc2C(F)(F)F)c1=O 1473069286 NDXKKVQYSSGFPH-UHFFFAOYSA-N 410.352 1.685 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OC)c3ccccc23)CC1 1475233046 BZMSSDMKDASYQC-UHFFFAOYSA-N 414.483 1.777 30 10 HDEE C[C@@H]1[C@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1478603797 LILFKIVPHUFNRD-KBUPBQIOSA-N 403.487 1.625 30 10 HDEE Cc1nc(CCn2c(N3CCC(C#N)CC3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1492691501 CXZJPKXUTOELKA-FQEVSTJZSA-N 414.514 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1507512240 CUEDNOZCVWINME-IAGOWNOFSA-N 410.526 1.375 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCn2cc(C(F)(F)F)nc2C1 1507592253 RMGWWUPXIGTRBV-LBPRGKRZSA-N 407.400 1.878 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1507642786 MRLSCZIDYNCKFB-ZWKOTPCHSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CC1(C(N)=O)CCOCC1 1507671128 ZRKYXHIBGMSZBE-UHFFFAOYSA-N 406.490 1.009 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ncn(-c2ccccc2)n1 1507707970 BDSVEXBJHKXJGJ-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C 1507761305 LQDZZHUDAQQMDS-STZQEDGTSA-N 417.554 1.643 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508090048 LKXSSVGKBWFYQG-MRXNPFEDSA-N 402.543 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC=C(Br)C1 1508147510 AGOHNGIHDCWRGL-UHFFFAOYSA-N 419.345 1.904 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1510215952 AJZGWNRNNVWUHG-PPWQZUPISA-N 410.544 1.614 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1511286824 RFPCBJMJMALLES-YOEHRIQHSA-N 409.494 1.761 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1519326403 MVMWGGORGLHOAK-QWHCGFSZSA-N 423.424 1.507 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccc(F)c2)CCO1 1521128360 CAWMLEQLNNTUDD-NVXWUHKLSA-N 419.482 1.291 30 10 HDEE CS(=O)(=O)c1cccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1 1526012298 OTVALLRWISAVMZ-UHFFFAOYSA-N 421.500 1.212 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 1526784676 XHNHVERLULCIFY-LRTDBIEQSA-N 421.461 1.887 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1529706888 DZOVHHCUSXWVNM-UHFFFAOYSA-N 415.494 1.134 30 10 HDEE COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)C1 1532903283 HCKBEPSLKPGEIK-MAUKXSAKSA-N 410.430 1.619 30 10 HDEE N#Cc1c(NC(=O)C2CCN(C(=O)COc3ccccc3)CC2)nc2n1CCOC2 1537678717 GJQGXXJTNIIKAO-UHFFFAOYSA-N 409.446 1.541 30 10 HDEE C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1538761092 QDRWLSJEFMACIU-XMZIXOGTSA-N 413.839 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(C)(=O)=O 1538991901 GSXZOIYNXDTLLC-CQSZACIVSA-N 406.508 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN1CCCS1(=O)=O 1539011640 GLTLSOMELXLZQN-HNNXBMFYSA-N 405.499 1.501 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539012907 KUMPKWXIHDIZDR-DOTOQJQBSA-N 402.520 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1539013019 HOYZWFDWOLYQNU-WMZOPIPTSA-N 407.584 1.760 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c(c1)CCO2 1539412750 DDBBIJZOGZFTEM-SFHVURJKSA-N 409.490 1.493 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCC(C)CC2)CC1 1539445020 ZRRIPQLWDUJSDH-UHFFFAOYSA-N 410.570 1.556 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCOC[C@@H]2CCOC2)CC1 1539477599 RYUJLOJGWBTCEM-KRWDZBQOSA-N 415.538 1.565 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H](C#N)c1ccccc1Br 1540032881 UJXUOZUWUWMLTB-KBPBESRZSA-N 400.298 1.944 30 10 HDEE CC(=O)N1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1540431525 JFFRVOUWWASTIP-ZGOJQLDESA-N 404.511 1.900 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540872468 QFMPTYIJHCMIOS-NVXWUHKLSA-N 412.469 1.025 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCN3C(=O)NC[C@@H]3C2)cc1 1540879276 YLXRWSNOUOYTDN-QGZVFWFLSA-N 412.494 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1540901863 RRGRBEYTPDPIHQ-BEFAXECRSA-N 410.540 1.531 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1543308538 FAGWPVPCHNEBNP-XOBRGWDASA-N 400.458 1.464 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1conc1COC 1548175138 HCROVEBLEOZDJQ-INIZCTEOSA-N 401.471 1.174 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCO1 1555557195 PNPIVFUYSJXDEF-HNNXBMFYSA-N 416.482 1.941 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CCO1 1555992870 DAHAERGRUTYJHC-RDJZCZTQSA-N 402.499 1.350 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC[C@@H]2[C@@H]2CCCC[C@H]2O)cc1 1556430637 GPEWTLDPFIYSJY-IPMKNSEASA-N 405.520 1.769 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)CCc2c(C)nn(CCC#N)c2C)cc1 1557964989 HACFLOMGTNSNOP-UHFFFAOYSA-N 417.535 1.613 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@H]1CCCc2ccccc21 1558543289 SUABGCUZVOKTHG-IBGZPJMESA-N 419.547 1.360 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)Cn3cc(Br)c(O)nc3=O)CCO2)cc1 1558604231 KNMVGDNQABGRLF-CQSZACIVSA-N 419.235 1.183 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3=Cc4ccccc4O[C@H]3C(F)(F)F)C2)c(=O)nc1O 1558806476 QOFQJKWVYUWTOK-OAHLLOKOSA-N 418.331 1.611 30 10 HDEE Cn1c(N2CCCC[C@H]2c2ncc(Br)cn2)c(C#N)c(=O)n(C)c1=O 1559283166 AQHLGNDUZHARLH-LBPRGKRZSA-N 405.256 1.240 30 10 HDEE Cn1ccnc1N1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1561398339 GBCUZTBACITCLK-UHFFFAOYSA-N 410.297 1.565 30 10 HDEE C#CC1(F)CN(C(=O)N=c2nc(C3CCN(C(=O)OC(C)(C)C)CC3)[nH]n2C)C1 1563384677 OZJZKFZMDRLVNJ-UHFFFAOYSA-N 406.462 1.541 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1563691328 FRGWUKNOFJAJNR-AEFFLSMTSA-N 407.536 1.945 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1564531417 SBAVYEWTTIBSJZ-KKUMJFAQSA-N 408.503 1.239 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1565081326 PYOOABYOVKDNLZ-UHFFFAOYSA-N 401.554 1.974 30 10 HDEE COc1ccc2nc([C@H](C)NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2c1 1567877620 MEYYLYWJDZKOTO-LBPRGKRZSA-N 413.459 1.599 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1COCCO1 1588093193 FFJTURCFCGVKBO-GOSISDBHSA-N 402.458 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCC 1588194533 XAQZJUZLAFYPIV-UHFFFAOYSA-N 400.504 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1nncn1C 1588254569 ZNNVWWBTWRABST-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE Cn1cc(C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(=O)c2cnn(C)c21 1593778597 NBEOYZXGLKMLSB-UHFFFAOYSA-N 400.288 1.970 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)NC 1594895652 MAKZECQBCAWYKD-UHFFFAOYSA-N 401.439 1.718 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1595219461 VAUGGVNLBDVWLP-IAGOWNOFSA-N 422.551 1.902 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)cn2)cc1 1597582064 HHKHEUIDBCZROQ-IBGZPJMESA-N 414.425 1.882 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1598449266 UCQQHKSKKOYCBU-SFHVURJKSA-N 403.435 1.867 30 10 HDEE CS(C)(=O)=NS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2)CC1 1612381037 DNBSBATXINUAIW-UHFFFAOYSA-N 421.342 1.415 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@]34CCOC4)C2)C1 1617717245 PJNJGRDGQSCNPF-HESSTHLMSA-N 405.495 1.791 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@H](C)C#N)n1CC(=O)NCC(F)F 1619408654 HWXIJTOTBFKYFB-CYBMUJFWSA-N 406.437 1.855 30 10 HDEE C=CCN(C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1626455934 AKYRMEBGKQRQDP-HUUCEWRRSA-N 403.545 1.033 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC(c3nc(N)n[nH]3)CC2)cc1Br 1628907601 OBPKEZUGTLSPFJ-UHFFFAOYSA-N 405.256 1.806 30 10 HDEE Cc1cc(C(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)ncc1C#N 1630283178 RNVPLHNXQFZWLH-SFHVURJKSA-N 408.458 1.866 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)CSc2nnnn2CC(F)(F)F)C1 1631964168 JOMBYKDQHOTXTE-HNNXBMFYSA-N 411.413 1.806 30 10 HDEE C#CCC1(NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CCOCC1 1635116971 PWJRTHCNAZPYGB-INIZCTEOSA-N 407.511 1.581 30 10 HDEE O=C(NC[C@@H](O)COc1ccccc1Br)c1cccc(C#CCO)c1 1635492364 XURVAXJDEZZENC-MRXNPFEDSA-N 404.260 1.963 30 10 HDEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1636188377 JQBVMIUQWPZFBB-OAHLLOKOSA-N 407.492 1.519 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C2)nc1 1636859589 WJEODUNPHOEMGG-JGTBNHKDSA-N 403.430 1.850 30 10 HDEE C=CCn1cc(CNC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)nn1 1638491903 VMVQGUWKSJJMAV-IBGZPJMESA-N 404.471 1.626 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1ccnn1-c1ccccc1)c1cc[nH]n1 1638566342 KTNXGFSNKDUKSA-UHFFFAOYSA-N 410.434 1.238 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CCO)c2ccccc2F)cc1S(=O)(=O)NCC#N 1638882351 HNZYMYWKGFTAFH-KRWDZBQOSA-N 405.451 1.790 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN2CCN(c3ccccn3)CC2)C1 1640219207 RAGNLFKAPMNKCY-OAQYLSRUSA-N 404.518 1.813 30 10 HDEE C#CCN(CC(=O)N1CC[C@@H](c2n[nH]cc2C(=O)OCC)C1)C(=O)OC(C)(C)C 1642482643 KWFOHCYIIMBRNV-CQSZACIVSA-N 404.467 1.773 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)c1 1644096365 NXLRLMFMIJHGLC-HNNXBMFYSA-N 400.456 1.460 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@H]1CNC(=O)NC 1644192573 JDEYHXORVCAQCW-CHWSQXEVSA-N 404.895 1.179 30 10 HDEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1644912168 RRUFJHNGTBZCFP-UHFFFAOYSA-N 412.381 1.921 30 10 HDEE CC(C)c1n[nH]c(CC2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CC2)n1 1646556813 NZEQVGZIVLQVBQ-LJQANCHMSA-N 415.586 1.875 30 10 HDEE C#CCN(C(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(C)CC1 1652511917 JCBHVEYQSZDTLR-QGZVFWFLSA-N 406.527 1.058 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1654699269 DVUWSJBEFVSDHZ-UHFFFAOYSA-N 403.548 1.011 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)C1 1656884117 RCIWKWVCDNELAQ-NSHDSACASA-N 402.270 1.733 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2 1660489312 FAFIHULGFOCFNE-UHFFFAOYSA-N 413.459 1.680 30 10 HDEE CC(=O)N1CCN(c2ccc(CNS(=O)(=O)Cc3csc(C#N)c3)cc2)CC1 1662777738 VVQIBOCVKITRHZ-UHFFFAOYSA-N 418.544 1.908 30 10 HDEE C=CCC[C@H]1CCCN1S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1664619670 LYEYOFRCLUTDAD-INIZCTEOSA-N 414.549 1.827 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cccn(Cc2cccc(OC)n2)c1=O 1665333072 KQWIBQVZFHYBBY-UHFFFAOYSA-N 406.464 1.023 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1665919884 MSGQIPZNOUTOOI-VHRNVKJDSA-N 412.533 1.237 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2nnc(S)n2C(C)C)C1 1679365100 BNAQJQUORHALGP-CYBMUJFWSA-N 401.558 1.638 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)NC)s1 1681981654 SXCHAWGUSRNHBV-UHFFFAOYSA-N 401.510 1.143 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1682226092 BYQIYTQMMDSLIU-HQSKLWIPSA-N 416.503 1.067 30 10 HDEE CSc1ccc(CNC(=O)N[C@@H]2CCN(c3ccc4nncn4n3)C2)cc1C#N 1682743101 LGYLNVWQQKNZED-OAHLLOKOSA-N 408.491 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1689848973 DYIYDSBKJBFHFL-IEBWSBKVSA-N 422.533 1.880 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccn(C)n1 1690104644 COKRPLGTYPUZFV-UHFFFAOYSA-N 404.478 1.384 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCc2cnn(C)c2)CC1 1690129242 RQLFQPWKSDAKMQ-UHFFFAOYSA-N 424.578 1.755 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@H]1C 1690220330 WNFQVBLPWSIAIK-OLZOCXBDSA-N 416.320 1.578 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1690432774 LJWMHMPISAPLIQ-OXJNMPFZSA-N 424.567 1.778 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690466949 HDPQDFAIYVFYDB-IBGZPJMESA-N 416.570 1.915 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1NC(=O)CC1(C)C 1690532672 RKCKRQMCYMPERX-AWEZNQCLSA-N 402.524 1.807 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690622268 LSBLCYVHHZPWFO-MRXNPFEDSA-N 411.572 1.856 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(F)c2)C1 1690686426 NTEMYOPZUPUEBI-RHSMWYFYSA-N 423.514 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2nc(C)no2)C1 1690711831 IYVKYJAHRNZFGP-MRXNPFEDSA-N 415.498 1.506 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690722425 IYIAWJKLRNQSFQ-MAUKXSAKSA-N 419.551 1.888 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1692657130 DKPATPRRHVVJHP-GOEBONIOSA-N 422.468 1.957 30 10 HDEE Cc1csc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)n1 1693329969 ARUFCGSHHMWHNG-WBMJQRKESA-N 410.500 1.435 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696345306 MDTXIKBJCYJZQD-OZNQOIHVSA-N 418.498 1.202 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2nccs2)CCO1 1696963862 FNFXZJTXLZZUTF-INIZCTEOSA-N 423.502 1.467 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C#N)o2)CCO1 1696971236 MFIPJLOXXWXTDH-SFHVURJKSA-N 424.436 1.472 30 10 HDEE COCC1=CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697827804 BPZIGMKLMKFWQW-VXPUYCOJSA-N 412.494 1.540 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1COc2ccccc21 1698172410 WRWGCBLWEWSNMP-IXDOHACOSA-N 413.478 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1705481239 BULFZBUNHUAZHU-GFCCVEGCSA-N 413.450 1.554 30 10 HDEE C#CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705542884 PZEBNARVWKEKEI-FXAWDEMLSA-N 402.520 1.439 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705571136 WEIHOMYJSGMXGO-KRWDZBQOSA-N 417.535 1.555 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1705586846 YSZXDYYNOOVWSU-QHCPKHFHSA-N 400.486 1.901 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCSCC1 1705605444 LCTTWCVWEAODJX-FQEVSTJZSA-N 407.584 1.827 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCC1(C)C 1705621867 QPKCBKDFSGPSQM-HZPDHXFCSA-N 411.572 1.801 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)c2c(C)noc2C)CC1 1705637917 QYXUQXKLIASKRQ-HNNXBMFYSA-N 406.494 1.899 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705659413 VJJFJIUIVCMBDZ-HNNXBMFYSA-N 402.524 1.289 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1705832004 KFQLIJAAINIOJV-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](COC)C1 1705896091 BLZQLEBDTZYLQY-CQSZACIVSA-N 400.439 1.628 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1CCS(=O)(=O)CC1 1707919254 GZGQRGFVTNTTQH-LJQANCHMSA-N 415.519 1.861 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711162268 PEBSCNGVQQXCQZ-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE COCCOC1(Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1712577702 DJIPYANHJYCYEB-APWZRJJASA-N 423.489 1.784 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)cc1 1722282020 BQWFCYWTYMGYCZ-CQSZACIVSA-N 403.446 1.531 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1722409657 DXDIWKWVXQAAHT-UHFFFAOYSA-N 405.462 1.720 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCCc1ccccc1 1729588586 ALTDGQIHSLNCTI-SFHVURJKSA-N 419.489 1.371 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](C)(C(N)=O)C1 1740592308 VBYHUGOWHFNMRO-QFIPXVFZSA-N 422.537 1.567 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740593120 SZUHPYDITOKTGE-FQEVSTJZSA-N 421.549 1.420 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1740674696 QEVTUWCACFOFTN-KRWDZBQOSA-N 413.503 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](C)COC)CC1 1740704623 QFHPOHXLUZFUNM-INIZCTEOSA-N 410.522 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1740706097 RFJZCPBYIHQAOD-JENIJYKNSA-N 415.538 1.563 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740787056 YSQFXUHVBQUFBW-MRXNPFEDSA-N 419.530 1.049 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC(N)=O)CC1 1740871885 RPLTXRDOQQSTPD-UHFFFAOYSA-N 421.509 1.979 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1740950984 ORNQLLRWSRZVGX-IRXDYDNUSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CCC(F)(F)CC2)C1 1740958563 QNRFDADKUHDEKS-CQSZACIVSA-N 422.480 1.937 30 10 HDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)N(C)C(=O)OC(C)(C)C 1741851202 IAWVKRAPSPOMJF-BZUAXINKSA-N 420.514 1.766 30 10 HDEE CCSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1747509853 AAIPEOFBNXLVOT-QGZVFWFLSA-N 414.535 1.911 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1748658852 YRZOURTYLDDRNH-CABCVRRESA-N 418.519 1.855 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1748811517 IEMAVHJRWUNZJC-SJORKVTESA-N 416.551 1.384 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1748826185 OLRCQOHRBWKGRG-ZDUSSCGKSA-N 423.901 1.802 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748847050 OKQFRVAQHLIXCM-QZTJIDSGSA-N 420.521 1.356 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2[nH]ccc2c1 1748847606 VSHSJZKZCUSHDD-IBGZPJMESA-N 421.526 1.977 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCN(C)C1 1748956742 ICIYKCUDPDWLGP-QHCPKHFHSA-N 420.517 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748960974 SPNAYHHNVPUCFG-UHFFFAOYSA-N 403.508 1.132 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCSC2)CC1 1748993477 ZBOWKWTUSKOSSM-NRFANRHFSA-N 415.538 1.631 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC(O)(CC)CC)CC1 1749016684 KTMSRKNKUYQCBF-UHFFFAOYSA-N 424.549 1.781 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@@H]1C 1749219693 PNZDALSTJQHIJL-HNNXBMFYSA-N 413.478 1.933 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nncn1CC 1749594279 IYHCLFPOKVHFPL-UHFFFAOYSA-N 411.466 1.972 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749681804 JUKYDJADJTVHAK-OXJNMPFZSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(C)C)C1 1749738438 NBEWTSVSBJMEQA-KRWDZBQOSA-N 423.583 1.874 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1749754580 OVAWYYWPUOKIBR-INIZCTEOSA-N 416.555 1.657 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1751652360 FVCSXPKKDNEWOR-UTKZUKDTSA-N 410.478 1.373 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1752323207 GDVBOXPSEUMFFS-MEUCICPISA-N 423.477 1.482 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1 1760123801 LIGSGFPRHWGGGA-INIZCTEOSA-N 400.479 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCOC(F)F 1760199315 UBQLKROTGRKVEZ-UHFFFAOYSA-N 412.404 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCNC(=O)c1cccs1 1760245937 HSLAXROBCFYONE-UHFFFAOYSA-N 410.503 1.918 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cccnn2)CC1 1760284462 MTXVAQWEHLCPSP-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](CC)C1 1760352777 XYQXVVZPGKJTFV-GJZGRUSLSA-N 417.601 1.813 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2ccc(Cl)nc2C1 1760514726 LPTLEDAOQJSRKF-UHFFFAOYSA-N 417.901 1.330 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1760535206 MWXCLOCTHOUWKZ-SJORKVTESA-N 405.543 1.852 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cn[nH]c2)C1 1760547633 OLBQCHJSLRSCFA-BZSNNMDCSA-N 402.499 1.749 30 10 HDEE CC[C@@H]1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1765085060 GLJOZUIVOPZJJJ-WCXIOVBPSA-N 407.540 1.735 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CC[C@](F)(C#N)C1 1766715493 PUBYDPZAAASPHE-KRWDZBQOSA-N 409.491 1.055 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1768446236 YABSJXIYSAHLNY-GOSISDBHSA-N 419.493 1.728 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1769283671 POFGEVRQCNJZSN-IAGOWNOFSA-N 421.498 1.673 30 10 HDEE CO[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CCOC1 1769781076 HMAWVKYIKIMDNW-UWJYYQICSA-N 413.478 1.759 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1770674684 MYBYOBPTVAEWDJ-XJKSGUPXSA-N 420.495 1.113 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCN(C)C1=O 1849165637 GHNZIRLMINPXPD-GOSISDBHSA-N 405.520 1.333 30 10 HDEE CCOc1cc(C(=O)NCC#CCN2CCOCC2)nc2cc3c(cc12)OCCO3 1850573092 KQRAWAHBMNTNOC-UHFFFAOYSA-N 411.458 1.470 30 10 HDEE C[C@@H](COC(=O)C1CCN(c2ccc(C#N)cc2)CC1)N1CCS(=O)(=O)CC1 1852324917 SVRGICVYTSLWIK-INIZCTEOSA-N 405.520 1.437 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc(F)cc2)CC1 1852688583 JEEOHTDVCYJAKS-LJQANCHMSA-N 409.527 1.686 30 10 HDEE N#C[C@H]1CC(=O)N(C(=O)CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 1852955321 RFCBKFRVQMKQCU-CQSZACIVSA-N 404.467 1.106 30 10 HDEE C=CCC(=O)N(c1ccccc1)c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1853138416 ZDKVTYYTZVNHBR-UHFFFAOYSA-N 410.478 1.786 30 10 HDEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCCC4)C2)ccn1 1853656412 DIQCXVABXRDAMD-SFHVURJKSA-N 413.455 1.994 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1=O 1853829368 VFAFISWKTDHRKO-MOPGFXCFSA-N 415.490 1.554 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C3CCN(CCN4CCCC4=O)CC3)CC2=O)cc1 1853842181 GINYKBYFKRUZBD-FQEVSTJZSA-N 408.502 1.881 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccccc3-n3cnnn3)C(=O)C2)c(F)c1 1854235722 QBLDJRPNTWGGME-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCCOc3ccccc3)C(C)(C)C2=O)CC1=O 1854445002 OBFNQBUITWISIC-SFHVURJKSA-N 413.518 1.939 30 10 HDEE CON(C)C(=O)C1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(C)c(C#N)c3)C2)CC1 1854662143 BHYGHLAUGUKZJE-MRXNPFEDSA-N 412.490 1.587 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCCC[C@@H](N4CCC(C#N)CC4)C3=O)cc2n1C 1855597744 JMDREJQUNYCMCP-GOSISDBHSA-N 409.490 1.634 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CC(F)(F)OC(F)(F)C3)C2=O)ccn1 1855662427 WHAJUEJNDJDCDQ-ZDUSSCGKSA-N 400.332 1.992 30 10 HDEE COc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(CCC#N)CC3=O)n2)cc1 1856035698 UGPMFGSCXLVUTD-OAHLLOKOSA-N 409.446 1.064 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)Cc3ccccc3F)C(=O)O2)CC1 1856653423 UHXPKSRUXQLOGW-MRXNPFEDSA-N 409.439 1.281 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)[C@@H]2CCCN2S(C)(=O)=O)c2ccccc21 1856686724 GUVPLTPAPFBCFT-PBHICJAKSA-N 404.492 1.482 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4ccncc4)CC3)CC2=O)CC1=O 1856820768 VHCZPHIZBAATOT-UXHICEINSA-N 410.518 1.703 30 10 HDEE CCOc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857018286 HMLOXHAYDUXKDR-KRWDZBQOSA-N 419.503 1.639 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)CCn3cnc4ccccc4c3=O)C2=O)CC1 1857379900 HLJXSKNXMDGAFG-IBGZPJMESA-N 407.474 1.540 30 10 HDEE C[C@@]12CCC(=O)N1CCCN2C[C@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1 1857458991 MCEYSXCGOOYRIF-XXBNENTESA-N 408.502 1.910 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)NCCC)nc1C 1872706549 DICFNWRHQISBEU-UHFFFAOYSA-N 409.424 1.335 30 10 HDEE COC[C@]1(C(=O)ON2C(=O)c3ccccc3C2=O)C=CCN1C(=O)OC(C)(C)C 1887049789 KEFZDZSTSOAZSN-FQEVSTJZSA-N 402.403 1.933 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)c1 1890899528 TXAAWZKRPRXTMU-ZWKOTPCHSA-N 412.490 1.598 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC(COc4ncccc4C#N)CC3)cnc2s1 1891285749 LNCSCVHXNLMHEO-UHFFFAOYSA-N 410.459 1.657 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC(Oc3cccnc3C#N)C2)c1 1892060629 DRLYSGSTKTVVIF-UHFFFAOYSA-N 403.416 1.200 30 10 HDEE C[C@@H](C#CC(=O)O)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1901973128 RAEJTJJYIKDBOF-HOCLYGCPSA-N 418.446 1.606 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CC[C@@H]2C[C@@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261269 NFWBHKPITAGWNF-ARGWCVDVSA-N 410.320 1.957 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1ccc(C#N)nc1 2046026184 PEWVGQUZHOIITK-GOSISDBHSA-N 402.407 1.719 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@](C)(=O)C2CN(C(=O)OC(C)(C)C)C2)cc1C#N 2174788660 HLBNHPGWZPGNBW-SANMLTNESA-N 414.509 1.668 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC[C@@H]1CO 2174916920 BNNZXSWFKOJYHR-MRXNPFEDSA-N 401.529 1.023 30 10 HDEE C#CCN(C(=O)O[C@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180132771 HVOSYDHOIQCBBL-GJZGRUSLSA-N 400.497 1.645 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(C(=O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)C1 2181004608 LQVRCWLICMEUHS-RBSFLKMASA-N 402.513 1.237 30 10 HDEE C[C@H](c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N(C)C(=O)[C@@H](C)S(C)(=O)=O 2186597251 LDTAALAVIXXGOD-VXGBXAGGSA-N 401.359 2.000 30 10 HDEE Cc1cc(C#CCO)c(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)s1 2221870818 KTVACYUFHNFJNP-UHFFFAOYSA-N 418.496 1.116 30 10 HDEE C#C[C@H](CC(C)C)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2234703346 QSDCUZQISXRCJQ-HUUCEWRRSA-N 400.541 1.963 30 10 HDEE C[C@H](NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247812608 GPORNDQTSONUMB-LBPRGKRZSA-N 420.319 1.694 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281807740 RYLACGNDAKMEMH-LBPRGKRZSA-N 401.359 1.990 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCS(=O)(=O)C(C)C 2281959599 OLNANYHDOYKTCM-UHFFFAOYSA-N 402.347 1.304 30 10 HDEE C[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(C)(=O)=O 2282008912 MADCQKKGKGRHCG-SNVBAGLBSA-N 402.709 1.197 30 10 HDEE CCS(=O)(=O)[C@@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282057408 GQCKRFPXQDVNRS-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC1(C)CNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308385 QOTNEMZLHJWSNV-NSHDSACASA-N 420.793 1.977 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CC[S@](C)=O 2282324897 WROKMXSXWBHHTE-NDHGSNPTSA-N 421.415 1.791 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)[C@@H]1CCSC1 2282329148 ILIQLNXHMFYEOJ-NWDGAFQWSA-N 401.363 1.139 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CN(C)C 2282843274 KZSZIZZTTUBIPG-LBPRGKRZSA-N 403.379 1.059 30 10 HDEE CC1(C)[C@@H](O)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857911 OMZNPQMQDADZFK-STQMWFEESA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCCOC2)OC1(C)C 2282867155 UWDQAMKXUIFHBJ-CYBMUJFWSA-N 401.359 1.893 30 10 HDEE C[C@H]1[C@H](CO)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869835 IZVJLINXVBQSOX-STQMWFEESA-N 401.359 1.580 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284396511 VXJNDABWHXICIE-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CC(C)(C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399875 PEWXPPUDBWAVLC-LLVKDONJSA-N 403.331 1.825 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284406694 BGRQFDMYFCFJFK-JTQLQIEISA-N 421.371 1.450 30 10 HDEE CC[C@@](C)(NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284407168 IDUHTGWQQYJRBB-MRXNPFEDSA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CC(CC(=O)O)C3)s2)OC1(C)C 2284410862 XALBVXTVSZYIDH-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=[S@](C)(=O)CCN)c(Cl)cc2F)OC1(C)C 2285973031 KRDGUDGEJATJDC-AREMUKBSSA-N 404.700 1.975 30 10 HDEE C[C@@H](C#CC(=O)Nc1ncnc2[nH]nc(Br)c12)NC(=O)OC(C)(C)C 2318686169 TZAKQRYJMLACRA-QMMMGPOBSA-N 409.244 1.971 30 10 HDEE Cn1cnc(Br)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2337319208 KMTHCEIEHOQRFV-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE COC1(C#CC(=O)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 2338483451 KRWPSJLOZNAXOZ-UHFFFAOYSA-N 401.459 1.918 30 10 HDEE CN(CC[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)C(=O)OC(C)(C)C 2367794940 KAKSTJZFQHDRML-AWEZNQCLSA-N 403.497 1.684 30 10 HDEE C=CCn1c(COC)nnc1SCC(=O)Nc1nnc(SCCOC)s1 20426153 HASXZHPDVXXCPH-UHFFFAOYSA-N 416.554 1.931 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC)Cc2ccccc2)c1 47418489 AVUOXYUTUJYRII-UHFFFAOYSA-N 400.456 1.414 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCc3nnc(C(F)(F)F)o3)n[nH]2)cn1 59887432 WCXRRFPIRSQGCL-HAVNEIBRSA-N 417.377 1.788 30 10 HDEE C[C@@](N)(C#N)CCn1cnc(I)c1I 307236836 WGSATHYQUALNMP-QMMMGPOBSA-N 416.004 1.723 30 10 HDEE Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427334411 JAMSZBOZBHSHIV-GOSISDBHSA-N 400.460 1.980 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 436578550 AEDIWLZDNGDUGF-GOSISDBHSA-N 413.478 1.610 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1cc(Cl)ccc1C#N 441237309 RZFADKMBFMJPQO-MUIFIZLQSA-N 405.838 1.575 30 10 HDEE N#CC1(NC(=O)c2ccc(S(N)(=O)=O)s2)CCN(Cc2ccccc2)CC1 482664205 YFJQVLZOHTYOST-UHFFFAOYSA-N 404.517 1.684 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 487518073 LAIOSWCKXVTYRJ-CZUORRHYSA-N 412.450 1.591 30 10 HDEE Cc1ncc(S(=O)(=O)NCC(=O)Nc2ccc(Br)cc2)cc1C#N 489208556 YVQKWDTUFBRESP-UHFFFAOYSA-N 409.265 1.941 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(S(=O)(=O)c3ccc4c(c3)S(=O)(=O)CC4)C2)nc1 490065769 TZVDJMOATKCYTQ-OAHLLOKOSA-N 419.484 1.125 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc3nc(C)sc3c2)c(=O)n1C1CC1 491591829 OWRRUZURXOMJLQ-UHFFFAOYSA-N 422.535 1.968 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(C)(C#N)CC3)CC2)cc1C 506052294 SMYYRXQTWILIIS-UHFFFAOYSA-N 418.563 1.762 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 508477609 MAASISHSLSWARF-CABCVRRESA-N 405.503 1.763 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 509010633 KAMVRFNWPJEERX-OXJNMPFZSA-N 422.533 1.929 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N 515888123 HMROPHDMDJFROJ-MRXNPFEDSA-N 406.508 1.597 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCS(=O)(=O)C2)n(Cc2ccco2)c1C 532972159 OZYAHBLAFWBYJS-INIZCTEOSA-N 418.519 1.923 30 10 HDEE COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN1CCN(c2cccc(C#N)n2)CC1 546208778 DEPJWXINWCRWTP-FQEVSTJZSA-N 419.485 1.202 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(-c4ccnc(S(C)(=O)=O)c4)no3)cc2C1=O 546390105 PREZYNMGVRGPEI-UHFFFAOYSA-N 410.411 1.984 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 555272294 MIUGQPUDGXZBCP-WMZOPIPTSA-N 404.559 1.930 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@H]1CCN(c2ccccc2)C1=O 569534881 PJUAYPSIVHBMQG-SFHVURJKSA-N 412.471 1.100 30 10 HDEE CNC(=O)COc1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1OC 571478185 FAVGMMINDOSEHM-UHFFFAOYSA-N 411.458 1.980 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]3CCCO3)c2=O)o1 603797348 CFRVAFZJNYJOLY-HNNXBMFYSA-N 401.488 1.018 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1-c1ccccc1C#N 603999892 ATEVNBLAFKAHDR-UHFFFAOYSA-N 406.492 1.390 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 610798453 HZMCQFULEVYKRH-OAHLLOKOSA-N 420.535 1.332 30 10 HDEE COCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@H]1CCCO1 619853110 CIOBGQXFXOLLTN-OAHLLOKOSA-N 400.458 1.941 30 10 HDEE C#C[C@@]1(O)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 708166052 UUWGAZJVJDYJTQ-HXUWFJFHSA-N 404.488 1.099 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)N3CCCCCC3)s2)OC1(C)C 714610513 MSXGTCOITSCEHC-UHFFFAOYSA-N 401.363 1.653 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CCN1C1CC1 732651544 BXJRMZGMLUEWKI-OPYAIIAOSA-N 414.506 1.915 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@@H]2CCCO2)C1=O 734296038 MPSALTCXFLIXSR-RDJZCZTQSA-N 416.503 1.821 30 10 HDEE C[C@@H](OC(=O)c1ccc(C#N)nc1)C(=O)NCC(=O)Nc1ccc(F)c(F)c1F 734602729 WYHUPFOMZHOBJC-SECBINFHSA-N 406.320 1.671 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)COc2cccc(C#N)c2)c1 750005664 IGJLCNURRCNMID-UHFFFAOYSA-N 406.391 1.662 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](C(C)(C)C)[C@@H](O)C1)/N=C1/NS(=O)(=O)c2ccccc21 758503034 JTQPLGUVQVIAQD-KBMXLJTQSA-N 407.536 1.759 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)cc1 765965067 CKDDLHFTQLXPEU-JQHSSLGASA-N 411.487 1.991 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cc(-c3nccn3C)nn2C)ccc1F 766792891 WUBVSDUVULXTKX-UHFFFAOYSA-N 418.454 1.676 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767679311 HQUJKCJIUYXEET-ZDUSSCGKSA-N 402.428 1.660 30 10 HDEE C#CCN(C(=O)Nc1ccc(-c2cc(O)nc(C)n2)cc1)[C@H]1CCS(=O)(=O)C1 773312817 ASUOPOSSKIBQNF-INIZCTEOSA-N 400.460 1.812 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CC(F)(F)C[C@@H]2CO)cc1 782022231 UBPGCYGDKCBUEE-IKGJXOFFSA-N 416.450 1.733 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1 783011797 CXZAZHZLRCVNKE-UHFFFAOYSA-N 405.520 1.598 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1 784124564 BOZYGXBTWPMZQC-SFHVURJKSA-N 416.547 1.644 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)NCc2ccc(F)cc2)n1 788819427 ZZZKSLFDQJLHDJ-UHFFFAOYSA-N 401.442 1.130 30 10 HDEE C#CCn1ccc(CN(CC)[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 789328966 GOBOJUACUIVMPM-JKSUJKDBSA-N 417.535 1.252 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnnn2C)n1N=Cc1cc(OC)cc(C)n1 794834715 BVEWODPROBSDLY-ZDUSSCGKSA-N 401.496 1.875 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 799836867 GPBNVZZJKPGZRO-UHFFFAOYSA-N 411.506 1.773 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)ccc2NC(=O)[C@@H]2C[C@H]2C)CC1 804348974 HLCPZQAMKXYESS-NVXWUHKLSA-N 414.481 1.318 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1OC 805250337 QZENAENYFFAMGL-FPISAVPCSA-N 423.535 1.660 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 809920893 GJQQVUUOMQSVMQ-CQSZACIVSA-N 408.503 1.345 30 10 HDEE CC(C)(C)OC(=O)NCC1(C=NNC(=S)NC[C@H]2CCCO2)CCOCC1 814213431 LPEYXDJSOAKSBS-CQSZACIVSA-N 400.545 1.937 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1 821306423 YVCSOEAATHNVOP-UCLAIMLFSA-N 406.552 1.603 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H](c2cnn(C)c2)C1 849500549 YIXPGOPHDNEFSN-MJGOQNOKSA-N 410.497 1.815 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN([C@H]3CCN(c4sccc4C#N)C3=O)C2)n1 856676884 LIBGIBHPFNRHAS-LIRRHRJNSA-N 401.492 1.740 30 10 HDEE C=CCn1cnnc1S(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 1116399403 ZVPHOHIXUSCUHW-UHFFFAOYSA-N 408.461 1.497 30 10 HDEE CO[C@@]1(CNC(=O)COc2cccc(Br)c2C#N)CCS(=O)(=O)C1 1133764180 WWQIWLNJXKTEAS-OAHLLOKOSA-N 417.281 1.019 30 10 HDEE CN(C)CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 1136287140 UGXUGHXLDQTWLF-RELWKKBWSA-N 418.523 1.510 30 10 HDEE COC(=O)c1ccccc1CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1138727491 GCLNEQXWNGOSFM-CYBMUJFWSA-N 401.444 1.328 30 10 HDEE C#CCn1cc(CNC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)cn1 1139861657 YYWHAIPNZPIBRE-UHFFFAOYSA-N 418.494 1.953 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OC 1141994972 DSVPQACBKLJJOQ-QGZVFWFLSA-N 416.455 1.791 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1 1144334167 CLLKFFJRSBOVLL-CQSZACIVSA-N 417.462 1.829 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncccc3F)CC2)c1 1153569082 YDXOOKUCJHHNGQ-UHFFFAOYSA-N 401.463 1.980 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)[nH]ccn12 1155113200 WMPDJCJANCZCET-CYBMUJFWSA-N 404.471 1.326 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(Br)cc3nc(O)[nH]c23)CC1 1155494112 IOHQLZSSJQJZGG-UHFFFAOYSA-N 405.252 1.633 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CO)cc2)ccc1C#N 1157017920 YPCUIWSAOAZBQB-ZDUSSCGKSA-N 403.460 1.156 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2nn(C)cc2Br)c1 1158614207 HJZGPKZHOXJZNG-UHFFFAOYSA-N 410.293 1.910 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(F)c(C#N)c(F)c1)CCS2(=O)=O 1158669852 KVTWQPWBAPJIQK-LASWEOPPSA-N 412.414 1.465 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1196807264 LVDQSGKETWIBCG-FZMZJTMJSA-N 413.883 1.201 30 10 HDEE CC(F)(F)CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1198140677 KTGPKZDPVSBFFL-LJQANCHMSA-N 423.483 1.807 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1210874439 KHQWBJVJNOTBBK-ZWKOTPCHSA-N 407.511 1.703 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)CC1 1213590016 KDKZGORVFPMPMG-HDJSIYSDSA-N 400.522 1.927 30 10 HDEE C#Cc1ccc(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1224204001 ZKNLJNRYRQJFKQ-UHFFFAOYSA-N 400.479 1.546 30 10 HDEE CC(C)(C)OC(=O)C1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1224272549 DEWGWVALRTZPLO-GYWLZCDHSA-N 411.524 1.467 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1225936086 DBEMMEKMGSTQEQ-CMPLNLGQSA-N 416.404 1.997 30 10 HDEE C#C[C@H](NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)[C@@H]1CCCO1 1226734753 MYYNDLWCPDKOFA-KBPBESRZSA-N 405.455 1.187 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)[C@@]2(F)CCS(=O)(=O)C2)CC1 1264914687 ZAYJRXNJPLSXHO-LJQANCHMSA-N 402.451 1.282 30 10 HDEE C#C[C@H](NC(=O)c1cn(Cc2noc(C)n2)nn1)c1ccc(Br)cc1 1275473594 CCQVKWDXIWRMFM-ZDUSSCGKSA-N 401.224 1.885 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1286338949 HUHXUIQYLYIDOM-UHFFFAOYSA-N 405.506 1.488 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1286375305 VUZTXUZFNYIBHY-IIBYNOLFSA-N 419.526 1.613 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC1 1286468720 HALBQRVIBPKKKA-OAHLLOKOSA-N 403.508 1.392 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286473490 MYNADHRVOOPUKE-OAQYLSRUSA-N 412.925 1.832 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2 1286535381 HZBUSBRQURFSSN-SRVKXCTJSA-N 420.333 1.165 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1286687263 HUBFUVKKTDEMAG-CVEARBPZSA-N 409.556 1.628 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1287788366 JEFSGOFCJOANSH-RCCFBDPRSA-N 404.515 1.215 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1288212179 DVEGVNVATMYNIK-FQEVSTJZSA-N 414.535 1.646 30 10 HDEE COC[C@](C)(C#N)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1294685419 PXUOBYBHECKXAK-ZDUSSCGKSA-N 413.805 1.682 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)Cc2cnccn2)C1=O 1298872475 SDIHNBARHNHYNR-OAQYLSRUSA-N 402.462 1.721 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cs1 1300077909 BGPORBAWNQRYDP-IUODEOHRSA-N 422.532 1.655 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@]1(N2CCOCC2)CCSC1 1300266784 BEEDUCUPTWMVQK-UZLBHIALSA-N 420.583 1.082 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1300300046 WBAIAJOJXBRMPN-GOEBONIOSA-N 405.453 1.549 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCOCCS(C)(=O)=O 1300313483 JEKBNLUIQWLCTI-HNNXBMFYSA-N 408.499 1.527 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(O)CCS(=O)(=O)CC1 1300475644 PIHOXWJQFVCRKO-UHFFFAOYSA-N 422.482 1.005 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1300483710 MSGKXVXUGPMRAW-CQSZACIVSA-N 409.899 1.341 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1300521856 VKJHPMZTVIKCGB-UHFFFAOYSA-N 415.501 1.054 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1CC(=O)N1CCOCC1 1300665926 SVKOJCBYYRCEPS-UHFFFAOYSA-N 417.897 1.543 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2noc(CC)n2)CC1 1300689598 ZPXZRWBGGJXZSY-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(O)CCC2)CC1 1300726979 SVYVHFCTZPIXQK-UHFFFAOYSA-N 408.506 1.145 30 10 HDEE C=C(C)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300955995 FNXSPIUCZMOJRW-IAGOWNOFSA-N 400.479 1.814 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1301018937 DFBYQAVWTFJNIZ-UHFFFAOYSA-N 411.915 1.788 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CC)C(=O)C1 1301174481 RXFGSVOZTUFLJS-OAHLLOKOSA-N 412.560 1.303 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1301239017 JXHJCVSEDYIVHF-UHFFFAOYSA-N 414.514 1.126 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOC[C@H]1C 1302242198 JHMPUSYHRUIXNA-MHORFTMASA-N 406.531 1.461 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CC1 1302924479 MJFIUFKKBMUJCR-ONTIZHBOSA-N 415.559 1.647 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCOCC(F)(F)C(F)F)CCO1 1303003091 CIVZULRUMPWXDG-LLVKDONJSA-N 402.352 1.919 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1303687535 RDTHGSDCUFJSTE-KRWDZBQOSA-N 424.519 1.644 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1 1303761558 GAKLSKZENWGMAE-UZLBHIALSA-N 404.488 1.834 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@](C)(Cn2cccn2)C(N)=O)n(-c2ccccc2)c1C 1308147386 DLKCHERGUJBGSD-JOCHJYFZSA-N 419.489 1.635 30 10 HDEE Cn1cc(-c2nnc(N3CCN(Cc4ccc(C#N)cc4)CC3)n2CC(C)(C)O)cn1 1314903927 FIEINUCIGWYEMQ-UHFFFAOYSA-N 420.521 1.643 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@](C)(C#N)C1 1315073173 RWMZQEJLQZNGNN-QGZVFWFLSA-N 423.568 1.313 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1315978179 CDXBJFLEJAVDQO-NQIIRXRSSA-N 415.494 1.682 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCC3(O)CCS(=O)(=O)CC3)cc2)nc1 1321924191 KPWAYCSNEMFRTB-UHFFFAOYSA-N 401.444 1.415 30 10 HDEE COc1ccc(NC(=O)c2ccc(C#N)c(Cl)n2)c(N2CCN(C(C)=O)CC2)n1 1357607099 TWPHWRZTRIBHAV-UHFFFAOYSA-N 414.853 1.931 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC12CCC(CC1)C2 1358889717 FTMITOXGKRPARZ-YJBCQJRQSA-N 421.567 1.649 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2CCOC[C@H]2C1 1358924542 AFFWRHUQAOFOEL-QGZVFWFLSA-N 411.506 1.897 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)CC1 1359035050 JRKNHJOKRNQKDX-IBGZPJMESA-N 422.533 1.260 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1359133277 OLGHIMLNLXFVLW-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359226411 FKJSISJCHQUYEB-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(OCCN2CCCC2)CC1 1359292787 XUUDVIUAHWTYSH-UHFFFAOYSA-N 404.559 1.785 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCC(O)CC2)C1 1359320744 UYXJVBQPZTXTNY-QUCCMNQESA-N 419.570 1.800 30 10 HDEE CC(C)CN(C)c1nnc(CN2CCCC2=O)n1CCN/C(O)=C1\N=CC=CC1=O 1359980797 JKMLDEUJPCVQOT-VHEBQXMUSA-N 415.498 1.019 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1360784598 IBSQTIGFNIAHDL-QAPCUYQASA-N 407.540 1.615 30 10 HDEE Cn1nc(C2CC2)nc1CC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1441251977 ZAUKAJJOIRGSBU-UHFFFAOYSA-N 422.468 1.763 30 10 HDEE COC(=O)C[C@@]1(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCCOC1 1448031142 YDBNWUOGIZQFQM-NRFANRHFSA-N 408.495 1.865 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Br 1458291489 OKRVMHXHSCRBPQ-MLGOLLRUSA-N 413.293 1.787 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)C[C@@H]12 1460444142 BVDQPUXURSXBKJ-FFGOWVMKSA-N 419.547 1.682 30 10 HDEE CO[C@@H]1C[C@H]2CN(C[C@H](O)COc3ccc(CC#N)cc3)Cc3cccnc3N2C1 1460622835 XITYRGMSUMJHOI-JAXLGGSGSA-N 408.502 1.997 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1 1462731263 JWKWLDDGKBYBCN-UHFFFAOYSA-N 414.483 1.832 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)ccc1Br 1463495960 DIELBCOJVRNCIC-JKSUJKDBSA-N 414.325 1.540 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)cc1 1464533256 ZTBNEFZAMOWNIF-NRFANRHFSA-N 411.527 1.332 30 10 HDEE C=CCOC[C@@H](NC(=O)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1467515117 FEOGJLGRDNMYGM-LSDHHAIUSA-N 400.472 1.263 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1)C1CCOCC1 1468209263 PICKGAUUCZXJMT-IBGZPJMESA-N 407.536 1.943 30 10 HDEE CO[C@H]1COCC[C@H]1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1468358538 XHDQSBCOROJPGN-SJCJKPOMSA-N 408.296 1.925 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OCCC)CC1 1469257999 DXSBUIUIWMFNPT-UHFFFAOYSA-N 408.524 1.079 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC[C@H]21 1469762444 MCLMDERYORCZCD-YDZRNGNQSA-N 410.474 1.894 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)C2=O)cc1 1470032520 IVWJQEFPABQSKW-UFYCRDLUSA-N 412.490 1.496 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2N=C(C3CC3)CC2=O)nc1 1470331850 PYSFWXZOBMFGQI-FMQUCBEESA-N 408.418 1.439 30 10 HDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1470623259 MICBXQGODOCWHN-UHFFFAOYSA-N 414.487 1.108 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1473704984 QOVIBEZVCRZQCK-GJZGRUSLSA-N 414.549 1.313 30 10 HDEE C#CCC1(NC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CCOCC1 1476192312 VELSOYYAGUFGTI-UHFFFAOYSA-N 402.476 1.970 30 10 HDEE Cn1ccnc1C(NC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)c1nccn1C 1478997634 SIWQGUFACUKPPA-INIZCTEOSA-N 419.493 1.796 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)c1ccco1 1503386574 HQPRKMODJYOUNM-LPMFXHHGSA-N 401.446 1.567 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(CC#N)CC1 1503692450 FBIFRUSXZNBHMO-OAHLLOKOSA-N 406.531 1.904 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)C1 1505312805 UCCQTUNFYJAHMQ-HXUWFJFHSA-N 420.489 1.542 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCOCCS(C)(=O)=O 1507621103 POXSMPPRUFILKD-UHFFFAOYSA-N 415.519 1.412 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nncn1C 1507714782 WCHHKNAPIVDNTB-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCN(CC)CC)CC1 1507741071 KMVPZFIVKYDDCV-LJQANCHMSA-N 416.570 1.827 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C 1507965621 PAASMOHHEHMTEY-MRXNPFEDSA-N 414.514 1.463 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1508084010 FJNMLBGRGUSRJJ-SFHVURJKSA-N 423.565 1.877 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2CC(=O)N2CCN(c3ccccc3)CC2)C1 1508112526 AVMVEIVXWBUNHU-FQEVSTJZSA-N 410.522 1.717 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(=O)NC)C1 1508162985 RTTHEHNHTIBVAT-MRXNPFEDSA-N 402.524 1.134 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1508427222 LCLQZOWSYGJGQR-HOTGVXAUSA-N 410.478 1.836 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H]3OC(=O)O[C@H]3C2)n1Cc1ccc(C#N)o1 1509659930 VEVLNZDIQOEQEY-KBPBESRZSA-N 400.395 1.043 30 10 HDEE CC#CCCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1522415601 WMLKBPAHEXALGC-ILZLQZNLSA-N 402.535 1.976 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cc(Br)cnc2Br)n1 1525393759 GMJWRLSSEUGIDI-UHFFFAOYSA-N 400.034 1.500 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)cn2)cc1 1535588194 WAHJCWZJPZJOPN-UHFFFAOYSA-N 406.446 1.996 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539202915 MEKWWPGODGLPID-QZTJIDSGSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cc(C)nn1C 1539272811 CGBMDXBOLLHCAC-UHFFFAOYSA-N 407.503 1.433 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Br)cc3)n2CC2(O)CC2)CC1 1539438441 WUZDSOSXRROWIG-UHFFFAOYSA-N 416.323 1.988 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1cccc(OCC(N)=O)c1 1539534102 YTVUZLCNEYYQTQ-JOCHJYFZSA-N 424.505 1.321 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1539556265 AEMNKQRTECZDBI-QFBILLFUSA-N 402.524 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1540472183 GGJJXCMOEJCFEE-KRWDZBQOSA-N 418.469 1.516 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(C(=O)OC)CC1 1540864643 HDGQDIGWTXHFRP-UHFFFAOYSA-N 413.478 1.645 30 10 HDEE CC(C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1541531869 IRHSVVHIYYLDEF-KRWDZBQOSA-N 409.556 1.983 30 10 HDEE CN1CCO[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)C1=O 1542161668 LYEZTRVBHKRITP-GFXBCDTMSA-N 422.507 1.075 30 10 HDEE Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1544188020 CXWLITSACWVRFJ-UHFFFAOYSA-N 423.351 1.450 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1557382456 PFYYVWDGKNOOBB-AEFFLSMTSA-N 421.538 1.639 30 10 HDEE CCOC(=O)c1[nH]nnc1[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1558299887 RBDUEUIQWKTFAD-GOEBONIOSA-N 422.445 1.570 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)cc1 1558416755 PBGJVGRERUUOIE-TXDAXLQXSA-N 408.520 1.853 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)OC 1568154266 FGSQABKZOPSRDL-GJZGRUSLSA-N 407.858 1.805 30 10 HDEE Cn1cc(C(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn1 1570629354 JGNSLBWMGRYJMS-LQZXRHCMSA-N 402.499 1.953 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1588388227 ZAWZBOZGEXJKBM-HNNXBMFYSA-N 407.565 1.956 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)C(=O)NC 1588660013 PRXNITNMTZTPAB-UHFFFAOYSA-N 401.486 1.866 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCOC(C)(C)C)CC1 1588968680 OVQFNLJMBCBUJN-QGZVFWFLSA-N 403.527 1.911 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1 1589579887 MNYOSOMTIYVQPS-BBWFWOEESA-N 404.515 1.572 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1593879321 QCSKNKJJRAKMRU-QGZVFWFLSA-N 424.977 1.915 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCS(=O)(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1594533681 FBPGXFTXBWROSK-LJQANCHMSA-N 412.556 1.767 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1594963097 PWWUZQNNOSHYKK-CQSZACIVSA-N 403.574 1.375 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccc(C)c2)CC1 1595530142 URPCMGMHZINMNB-UHFFFAOYSA-N 420.521 1.616 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2conc2COC)C1 1595665377 STSLFTMERZVUNN-MRXNPFEDSA-N 416.482 1.478 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCOCC1 1616474377 ADHXVCRJAKFOST-KRWDZBQOSA-N 420.941 1.967 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCOC1 1616909143 CJIQZKQFRKFYCJ-SFHVURJKSA-N 411.510 1.834 30 10 HDEE COC[C@H](Cn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C)OC 1619608080 CGVUWGYTVOOGSP-HNNXBMFYSA-N 400.483 1.772 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CC[C@](F)(C#N)C2)C1 1620167277 CATIJEDSMVCFTO-BEFAXECRSA-N 418.498 1.669 30 10 HDEE N#CC1(CCCN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCOCC1 1620450710 BNYINDOUHIJYMD-UHFFFAOYSA-N 420.579 1.683 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC[C@@H](c3nc(O)n[nH]3)C2)cc1 1622886711 QKXDJQXCKMJRGG-CYBMUJFWSA-N 420.495 1.728 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC=CC[C@H]1C(F)(F)F 1624501340 LHQZADKBOPHWLP-WCQYABFASA-N 401.410 1.986 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)/C=C\C(=O)c2ccc(C)cc2)c1 1624519052 DDMTUIMYDZCKBK-KHPPLWFESA-N 416.455 1.824 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)C[C@H]1c1ccccc1F 1626450872 FZKCTGWVGGNYQA-GOEBONIOSA-N 414.441 1.808 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1630138604 PNSNICODDHOOLB-KKSFZXQISA-N 409.527 1.895 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1630397025 KQYHGWJQGFETQI-FUHWJXTLSA-N 406.504 1.588 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 1637715609 XJPTZCRFFUJREJ-MRXNPFEDSA-N 400.456 1.970 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3cccc(F)c3)C(=O)C2)c1 1638065066 RMKPSYPBMBYXEF-UHFFFAOYSA-N 419.409 1.751 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCO)C[C@@H]2C)nnc1-c1ccco1 1639024452 WFNBVAYCVVCOAJ-HNNXBMFYSA-N 405.524 1.731 30 10 HDEE COC(=O)[C@@H](C)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1641636628 CXACTFRTTYTVJZ-ZDUSSCGKSA-N 401.444 1.752 30 10 HDEE COC(=O)c1ncoc1CCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641858394 XPYXKYXOTROAAV-UHFFFAOYSA-N 401.375 1.298 30 10 HDEE CCN(OC)C(=O)CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1643578523 MUBSRIFRUVNUGJ-UHFFFAOYSA-N 401.423 1.549 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1644705925 DXKKZTFYVYXAPP-ZUOKHONESA-N 416.482 1.941 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(F)(F)F)O[C@@H](C)C2)cc1 1644821577 NZGZFKNOGDXVME-SWLSCSKDSA-N 404.410 1.780 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(OC)OC)CC1 1645205679 BMBDFTZCKHAJTH-HNNXBMFYSA-N 413.515 1.526 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)c3cncs3)CC2)cc1 1648104330 XCIAMVJLDJAWDH-UHFFFAOYSA-N 418.500 1.415 30 10 HDEE CCCCN(O)C(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1649057487 ZCSBZTIEOANRQV-UHFFFAOYSA-N 424.523 1.545 30 10 HDEE C#CC1(F)CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1651092407 QFWJWSBWUYQAGS-AWEZNQCLSA-N 400.859 1.057 30 10 HDEE C=CCC1(O)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1652164811 SJGAUWMSAWSRLI-UHFFFAOYSA-N 422.547 1.570 30 10 HDEE CN(CCS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1655341225 NBLXWSLUPZBWBR-MRXNPFEDSA-N 411.524 1.492 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)cc1 1660861825 BDXXBOMKPJFSJH-UHFFFAOYSA-N 421.496 1.234 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 1668851774 VCFJCSGXTZSYBT-SFHVURJKSA-N 407.559 1.277 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 1673626397 UARGQTRXSKWSIU-IYBDPMFKSA-N 406.508 1.171 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC)[C@H]1CCCO1 1677846165 YLCBXMCOHSMDSQ-GDBMZVCRSA-N 421.400 1.990 30 10 HDEE COc1ccc(Br)cc1C1(NC(=O)NCCn2cnc(C#N)n2)CC1 1680973958 SVAIAWXBVGWPDD-UHFFFAOYSA-N 405.256 1.909 30 10 HDEE CC(C)(C#N)CNC(=O)N1CCC(n2nncc2I)CC1 1681487142 NURORDMZVUCMJS-UHFFFAOYSA-N 402.240 1.779 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(CCO)(CCO)CC3)C2=O)cc1 1682021428 GLQBPEBZNZEUBK-LJQANCHMSA-N 414.506 1.216 30 10 HDEE C=CCC[C@H](CO)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685136331 RLQQERVSVMBWEL-CABCVRRESA-N 419.544 1.037 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1689920605 DBJGYFROXOBLJX-UHFFFAOYSA-N 407.482 1.295 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC(C)C 1689959797 NOEZUOMSIPQTSB-UHFFFAOYSA-N 414.535 1.834 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CC=CCC1 1689964374 MJIOBPLRWDMYNT-UHFFFAOYSA-N 406.538 1.783 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1689985808 BZXJVSPBDDHJOJ-HNNXBMFYSA-N 405.524 1.451 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689988998 ADWXURFRNSZLDY-QZTJIDSGSA-N 424.567 1.471 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)C 1690101077 NJDPYSJNCCNNNY-UHFFFAOYSA-N 416.482 1.007 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCCCO3)n2CC(C)(C)O)n1 1690109306 NCZWUPHWPNBVBA-SFHVURJKSA-N 416.526 1.773 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1690752758 PUGORQUAHLWDLF-PMPSAXMXSA-N 410.540 1.921 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1693018303 YLJAENGRZQDGPZ-RTBURBONSA-N 424.505 1.639 30 10 HDEE CC[C@@H](C)[C@](C)(O)Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1693927936 BYZFRTPYDRAEEX-JLTOFOAXSA-N 400.531 1.624 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1705491187 ZMEWTODGEUTGMS-ZUOKHONESA-N 410.503 1.920 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705565774 JZYYITBLKCISEP-MLHJIOFPSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@@H]1COCCO1 1705575089 XJAILKMUIMJLNI-NQIIRXRSSA-N 402.495 1.197 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CC[C@H](C(F)F)N1CCOCC1 1705579191 HPBLNPMVLLXFHT-QGZVFWFLSA-N 402.449 1.702 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C 1705604194 HRPGLCGRFALALU-BBWFWOEESA-N 411.572 1.799 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)C 1705714330 MXQSLVFNFOFZCN-UHFFFAOYSA-N 409.494 1.683 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(OCCOC)CC1 1705902497 GBZMSLBTRNAMLU-QGZVFWFLSA-N 407.515 1.454 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705904517 QZWXKDXAZPAUNE-UHFFFAOYSA-N 417.558 1.507 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1705948368 RANRIRCWPMNHCS-UHFFFAOYSA-N 420.583 1.624 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1706074911 GSEPSOUSVOTZJI-DOTOQJQBSA-N 416.551 1.890 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCN(CC)CCC(F)(F)F 1710744377 CBXNNOKFUMEBJH-CQSZACIVSA-N 404.437 1.818 30 10 HDEE CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1710823521 IWPDZXLEYZAPFU-HNNXBMFYSA-N 405.480 1.114 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@H]2CCCS(=O)(=O)C2)cc1 1712880512 BBUCWCNYYQCWLS-MRXNPFEDSA-N 401.492 1.478 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1cc(CO)nn1 1722286383 HLZMCHWAQYYDQP-CQSZACIVSA-N 409.450 1.306 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C(OC)OC)c2)CC1 1722440848 FMNHJKYBYRAPPP-UHFFFAOYSA-N 413.522 1.910 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)CC1 1722441273 JOAXFWVCDOYUCG-MRXNPFEDSA-N 412.469 1.030 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1722449269 SGTWZIFOHAKEJJ-GOSISDBHSA-N 423.521 1.359 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)[C@@H]1CC 1722486920 GQIQPWWXDAOVGL-AWEZNQCLSA-N 405.300 1.887 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCCN(CC)C(=O)C1 1722700318 FETZPNBKQOPQPM-UHFFFAOYSA-N 414.485 1.369 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722707444 PGUWGFIFOCKCMY-INIZCTEOSA-N 421.505 1.959 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)C1 1722720213 ILTWNMYQLJQPNP-HZPDHXFCSA-N 416.526 1.097 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1722720624 NCKIVUDDXYEACL-IAGOWNOFSA-N 409.556 1.293 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1730154482 HFDAZTNSAKZKTE-JOCHJYFZSA-N 417.473 1.970 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1cnccc1OC 1730758728 CBBFIQROVDJVOI-UHFFFAOYSA-N 413.482 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC=C 1740537636 GABYRIXUKMXMIS-LPHOPBHVSA-N 410.540 1.377 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccccc1OC 1740609980 QYVYRWRFPCLUQR-JKSUJKDBSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1740616682 FKJWBBLVANDOGU-ROUUACIJSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1740617098 LZLYSZCAIYGRFP-INIZCTEOSA-N 404.492 1.279 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740618902 CYIKDJVSDJMTOG-PKOBYXMFSA-N 414.531 1.998 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCNC(C)=O 1740654657 NOAUJSTVJJVHQT-UHFFFAOYSA-N 403.490 1.506 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1740689862 DTWZCGFRJBIAIX-AABGKKOBSA-N 419.570 1.963 30 10 HDEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1740876198 FDNDYHQYNFBROV-KRWDZBQOSA-N 404.492 1.992 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740947798 GETHIXMVKGFVJT-HNNXBMFYSA-N 402.524 1.962 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1741687682 PZJGWLZLMTWNES-QFIPXVFZSA-N 421.505 1.590 30 10 HDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1747468902 YRNBOBKPPJXHEM-ZVXFEBSPSA-N 415.519 1.865 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1748205854 AHAPTHINPUUAKN-OLMNPRSZSA-N 410.478 1.193 30 10 HDEE C#CCCCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1748727253 MVWYBEACZCOSBT-WFXMLNOXSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC1(O)CCOCC1 1748779971 ZTMLMCZEAWELFA-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1748811878 NENKIJPQCNNOQJ-GOSISDBHSA-N 424.530 1.548 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1748821821 VOHOIDXSMGBRBH-QGZVFWFLSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCOC[C@@H]1C 1748835481 DXEUBSFJGOYKTG-SFHVURJKSA-N 423.517 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(C)(C)C(=O)NC 1748840532 DGEDNBFPLCJZOM-UHFFFAOYSA-N 415.501 1.976 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCOC 1748889867 IHWMURCQDNJOBO-UHFFFAOYSA-N 407.522 1.952 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCc2nccn2C1 1748948544 QQGIOHCPEPGCCN-QGZVFWFLSA-N 411.510 1.059 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCSC1 1748955974 DRKPTRMMGQJONG-FQEVSTJZSA-N 402.520 1.908 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1749098517 CHAXQQQTAOVHRX-LBPRGKRZSA-N 405.256 1.890 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1749193470 KDJZTQXPDHDIRH-QRWLVFNGSA-N 420.510 1.993 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749209244 RHPSKSNOGHXUAM-UAGQMJEPSA-N 404.515 1.619 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCOC2)C1 1749249417 FCBKWFKJNITSRZ-GOSISDBHSA-N 404.858 1.674 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)NC(=O)OC(C)(C)C 1750348145 VJEOLPUERQPOHL-VLXJIEOASA-N 421.477 1.584 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCSC1 1760209599 GJIXERKYDBLMLU-NRFANRHFSA-N 412.515 1.807 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1760441397 GWESBJZXKNSCCU-UHFFFAOYSA-N 410.569 1.682 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1760526505 ATIFEEFTOIGSOL-UHFFFAOYSA-N 415.567 1.620 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](COC)C1 1760526814 ULFZUDBGCOZXBG-SFHVURJKSA-N 415.494 1.319 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)C1 1760534765 GBASZLWELXXZOM-CVEARBPZSA-N 420.539 1.421 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC12CCC(CC1)C2 1761500133 FVPRMELJDKNXOW-GBRKPNRJSA-N 408.528 1.197 30 10 HDEE CCO[C@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1767721574 NRQGODJOEDRGOJ-HOCLYGCPSA-N 419.507 1.698 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCN2CCCCC2)cc1 1770740498 HMRCYSGNODTKRR-UHFFFAOYSA-N 423.521 1.541 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1771032895 OOHAMHUXGRHDIF-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1772566998 DJGUPRCPMZFGDS-CHWSQXEVSA-N 403.405 1.589 30 10 HDEE CC(C)NS(=O)(=O)c1cc(C(=O)ON2C(=O)c3ccccc3C2=O)ccc1F 1772788151 LEUPNISTQDMXBU-UHFFFAOYSA-N 406.391 1.880 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)N3CCC(C(=O)N(C)CCC#N)CC3)CC2=O)cc1 1850476365 PGDOQBSYQPNRHW-HXUWFJFHSA-N 410.518 1.954 30 10 HDEE C#CCCN1CCN(C(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1850738583 CNMOYCVQKBQXMB-UHFFFAOYSA-N 417.453 1.541 30 10 HDEE C=CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)c1ncccn1 1851424618 GZOJZCFFIYLFNU-GOSISDBHSA-N 400.504 1.337 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2ccccc2F)C1=O)[C@@H]1CCN(C)C1=O 1854132015 WSIPQHSCQOECAB-RBUKOAKNSA-N 401.482 1.995 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2conc2C2CC2)C1=O 1854222835 BASFRPPWZPLPMF-IRXDYDNUSA-N 400.479 1.792 30 10 HDEE CC(C)=CC(=O)N1CCC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854366550 KXEKFORERUYREG-LJQANCHMSA-N 400.523 1.944 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(F)c3)C2)CC1 1855853148 LRCJNHDGJUTTDQ-INIZCTEOSA-N 407.449 1.903 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)Cc4cccnc4)C(=O)C3)C2)s1 1856309296 KXOUYJBGHWTPGT-KRWDZBQOSA-N 409.515 1.503 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](Oc4ncccc4Cl)C3)C2=O)ccn1 1856456597 IMNLEPDICNBAIL-WBVHZDCISA-N 411.849 1.896 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cn(C4CCSCC4)nn3)C(=O)C2)C1 1856839229 BDXOSLVWIDWAJJ-KRWDZBQOSA-N 418.567 1.281 30 10 HDEE COC1CCN(C2CN(C[C@H]3CC(=O)N(C(=O)c4ccc(C)c(C#N)c4)C3)C2)CC1 1856984553 VLLZDMJQHOPHNF-QGZVFWFLSA-N 410.518 1.650 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cnn3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857066829 ACDIETLPUOOPAA-LPHOPBHVSA-N 413.522 1.317 30 10 HDEE CN1CC2(CCN(C[C@@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)CC1=O 1857249979 BKGHHNIDILYMSP-IBGZPJMESA-N 408.502 1.420 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccnc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857299808 URUQMTNCTUKBQP-CRAIPNDOSA-N 407.474 1.337 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858334330 FUGTXYNHSACJFB-MRXNPFEDSA-N 405.501 1.608 30 10 HDEE N#Cc1ccc(NC(=O)c2ccc(N3C(=O)CCS3(=O)=O)cc2)c([N+](=O)[O-])c1 1865943560 RGNKHIZRQSAUJF-UHFFFAOYSA-N 400.372 1.785 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOC)cn1CCCOC 1870474361 DYHAZKNBZIYVSC-UHFFFAOYSA-N 408.495 1.627 30 10 HDEE C=CCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2cccc(Br)c2)[nH]1 1871550864 BNAVGBPFUROXRC-UHFFFAOYSA-N 404.316 1.571 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871686464 JVWGGKBKXPNEFK-UHFFFAOYSA-N 406.437 1.336 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1[N+](=O)[O-] 1874432713 TXBQJXDHMXHZGL-AWQFTUOYSA-N 419.467 1.323 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccs1 1874433494 NRZMLUDJJNIDID-AWQFTUOYSA-N 418.504 1.859 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)Cn2cnc3ccccc3c2=O)CC1 1891419097 OIOILHFFVQSFFV-UHFFFAOYSA-N 404.430 1.376 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)C[C@H]1CCO 2118164314 XXUPMJSVBXOBQF-GFCCVEGCSA-N 401.510 1.612 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2118170694 RZIFXMZJWZAQJM-OLXKUKDPSA-N 406.530 1.089 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)CC2(C#N)CCC2)CC1 2174789139 MWADEOGRYQFOAS-HUUCEWRRSA-N 401.529 1.608 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180893687 FWYPZUXFEYWQGK-JTQLQIEISA-N 418.903 1.753 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197739614 CMNSPDZBBINFRJ-UONOGXRCSA-N 401.529 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)CC(NS(=O)(=O)CC#N)C1 2242017169 LJWNSMBAAPURLG-UHFFFAOYSA-N 418.516 1.286 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@H](C(=O)O)C1 2243393233 OQHNJUAJCCFSNQ-ZDUSSCGKSA-N 408.260 1.154 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)(CO1)C2 2247803347 DHTLUUCZLSQNFR-UHFFFAOYSA-N 420.315 1.811 30 10 HDEE C[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247816880 HAWXMEQUDBYDBS-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@@H]3CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2247836330 AJEKPXIRMZRHAW-GOSISDBHSA-N 408.311 1.780 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055236 KWXUMNVWRGBMEZ-CYBMUJFWSA-N 420.319 1.666 30 10 HDEE Cn1ncc(C(=O)N(CCC(=O)O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2248577673 NQRZSZJAHYNCMI-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249999441 VSPNZDAJLOGUNS-CQSZACIVSA-N 424.303 1.584 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1cnn(Cc2ccccc2)c1 2255876463 NAEMTHPKJZJMRU-UHFFFAOYSA-N 422.298 1.289 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS[C@H](CO)C3)s2)OC1(C)C 2267375568 JBGGPLGJVVWEJA-NSHDSACASA-N 405.372 1.146 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CO)C(F)(F)F)OC1(C)C 2267463592 JCFQZBZLAVWUTM-SNVBAGLBSA-N 401.237 1.249 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC[C@@H]1F 2282314682 CXWPRYAJRAPJPU-RYUDHWBXSA-N 404.338 1.334 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282317920 XBCSIXMDABUHFK-GFCCVEGCSA-N 403.331 1.743 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CC[C@H](CN)CC2)OC1(C)C 2282330918 HELHRIVWVMBCMH-JOCQHMNTSA-N 400.375 1.843 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1OC 2282331384 MRXADWQDFKCKHF-CHWSQXEVSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CO)CC(F)(F)F)OC1(C)C 2282333355 NKGHBARAMJGSCO-VIFPVBQESA-N 415.264 1.639 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282482018 DKNOWVKTYOYUGB-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CNCC(C)(C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494505 ZTWCUYUFOYXMKR-UHFFFAOYSA-N 403.379 1.107 30 10 HDEE C=C(CS(=O)(=O)NCc1ccsc1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282495054 GWMPVMLIUVQDKA-UHFFFAOYSA-N 421.371 1.759 30 10 HDEE C[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H](CO)O1 2282639925 GVUUQISWNCNLRY-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CN1CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H]1CO 2282642857 SPQUSPWFVYIUAV-NSHDSACASA-N 400.737 1.449 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1 2282828018 HOPDYEDBLPUTCC-VWLOTQADSA-N 401.359 1.341 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)c(Cl)c2)OC1(C)C 2282832519 AHIPZCRCYKQPGB-CYBMUJFWSA-N 401.721 1.785 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282832534 ALICLVWGQVLKIM-STQMWFEESA-N 401.359 1.795 30 10 HDEE C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282881859 DFXKMURBSGHKOZ-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CCC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413756 NGNARQDIRFHLDW-LBPRGKRZSA-N 403.331 1.720 30 10 HDEE CC[C@@H]1[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288911633 LROQDTDBKRYCRL-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)n1C 2300293697 LATSBXXRNAYADY-STQMWFEESA-N 420.319 1.423 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303607095 WMUHPAVPEMTBAL-MRXNPFEDSA-N 415.299 1.407 30 10 HDEE C#CCNC(=O)CNCc1ccc(I)c(Br)c1 2306224985 BTZZCAWFKSFBPY-UHFFFAOYSA-N 407.049 1.893 30 10 HDEE Cn1nc(Br)c(=NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[nH]1 2320067663 YLQOAFNRBNWWQF-JTQLQIEISA-N 415.292 1.915 30 10 HDEE C[C@H]1C(=NO)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@@H]1C 2321213744 GOFPYYSNUVJYKJ-ZIAGYGMSSA-N 407.492 1.953 30 10 HDEE CN(C)c1ccc(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1 2325705811 FTJBGDSVOYTHJK-UHFFFAOYSA-N 401.488 1.341 30 10 HDEE CCOCCCN=C(NN)NCc1c(Br)c(Br)nn1C 2364342946 VIKFKKOQFSGOGM-UHFFFAOYSA-N 412.130 1.281 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C1CN(C(=O)OC(C)(C)C)C1 2365201295 HGSWEOCFZGXBNN-JKSUJKDBSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]2CCC[C@H]21 2365212710 SWRRTHGWCAMPNH-DEXNDLTESA-N 400.541 1.291 30 10 HDEE Cn1nccc1C#C[C@@H](N)[C@@H](O)c1c(Br)cncc1Br 2367768887 YQQBUXRKYPXBMT-DGCLKSJQSA-N 400.074 1.753 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C 2367797617 WCPBHMHSFJJLMZ-XHSDSOJGSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CC[C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367799639 BYBNHSHHJCDRJL-YJBOKZPZSA-N 400.541 1.748 30 10 HDEE CN(C)CC1(O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2369667639 QBPZUDXNNNTASU-UHFFFAOYSA-N 400.737 1.449 30 10 HDEE CC(=O)N[C@H](CO)/C(=N/NC(=S)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 19893720 SPFNKTXDCNWMQO-WFOVFMPGSA-N 401.448 1.783 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2Br)CC1 29970796 BBJZOCFVJFTQNC-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 58256037 NJLOWEFULIZZQO-UHFFFAOYSA-N 412.490 1.729 30 10 HDEE CCOC(=O)N1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@@H]2CCCO2)CC1 65304923 DRSZDNJQADVALF-KRWDZBQOSA-N 404.467 1.915 30 10 HDEE C=CCOc1ccccc1NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCCCC 66062406 JTAFJYOFSQSEQS-KRWDZBQOSA-N 403.479 1.724 30 10 HDEE C=CCN1CCN(C(=O)c2snc3c(=O)n(Cc4ccccc4)c(O)nc23)CC1 97939266 HPSWOPKJIRVICI-UHFFFAOYSA-N 411.487 1.551 30 10 HDEE COCc1cc([C@@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 103099061 CLNWTLFHDMETPS-LYHOESIGSA-N 417.414 1.562 30 10 HDEE CCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 105619536 GXZPDBFJNOKURN-HXUWFJFHSA-N 418.563 1.797 30 10 HDEE COc1cc(-n2cnnn2)c(Cl)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 107846773 IHEGEDAKJPPZCJ-UHFFFAOYSA-N 424.852 1.553 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NN=C3CN4CCC3CC4)c2)CC1 254843188 DTSYBKBXXLCFGP-UHFFFAOYSA-N 422.511 1.170 30 10 HDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427108780 DYMIVODRBFRVRN-UHFFFAOYSA-N 422.488 1.512 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)[C@H]4[C@@H]5C[C@@H]6[C@@H]7C[C@@H]([C@@H]4[C@@H]75)[C@@H]63)cc2C1=O 428002722 ZHGUGLBSUJWIJP-ATISMGOTSA-N 404.466 1.707 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnnn2-c2c(Cl)cccc2Cl)CC1 431358992 PEJZDJGAFPKECP-UHFFFAOYSA-N 423.304 1.634 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cn(C)nc1C(F)(F)F 439216248 XSCVNSWWSHJEOZ-LLVKDONJSA-N 408.388 1.521 30 10 HDEE Cc1nc(SCC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c(C#N)c(C)c1C 474775338 MMDXFFLAXYFXFB-QGZVFWFLSA-N 402.520 1.867 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(OCCCC#N)c1 477276303 ATRQEHMCYOZLAV-HXUWFJFHSA-N 414.462 1.923 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)c(F)c1 481066617 COXIXZDCEWGGAO-UHFFFAOYSA-N 403.435 1.691 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cnn(C)c1)C(C)(C)C 482312723 HQHMCEPPYNENFX-CXAGYDPISA-N 403.508 1.862 30 10 HDEE COc1cc(NC(=O)CN(C)S(=O)(=O)c2cnc(C)c(C#N)c2)cc(OC)c1 489552180 NWBXDOKXMVWXMX-UHFFFAOYSA-N 404.448 1.538 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(C)n(CCC#N)n2)C1 504298820 JPLWXWBXTRSGMD-HNNXBMFYSA-N 420.495 1.749 30 10 HDEE COc1ccc(C(=O)NCCCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 505905572 FZSLCTQOJUCCNY-UHFFFAOYSA-N 407.474 1.821 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508901879 HWNABCKWBJCSSH-KRWDZBQOSA-N 406.494 1.848 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(CCC(=O)N(C)C)CC1 508955492 HGIAEKCLXLCFGG-UHFFFAOYSA-N 413.482 1.640 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1C#N 512299974 CKOHZWNUKSZGRA-UHFFFAOYSA-N 410.463 1.089 30 10 HDEE COC(=O)c1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc1 523305848 MSKSMVNFQCNRHX-UHFFFAOYSA-N 408.479 1.904 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCCc2cccc3cccnc23)CC1 532902155 HGBNMRANADRMGA-UHFFFAOYSA-N 400.486 1.982 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3ccc(CO)c(F)c3)C2=O)cc1 535997786 FNTYRCYAOQTJIN-GOSISDBHSA-N 410.405 1.711 30 10 HDEE COC[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccccc1 538768992 GGTCYZWIELXUGN-SFHVURJKSA-N 404.430 1.640 30 10 HDEE Cn1c(CS(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)nnc1-c1ccccc1 539105372 ZJNYFEVKRHFCPF-UHFFFAOYSA-N 409.471 1.585 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(c3nc4ccccc4o3)CC2)n1 539177484 GUCAXFOLVZHSJQ-UHFFFAOYSA-N 407.434 1.764 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)CC2)n1 546927753 CFNZCXBGXFKKFS-UHFFFAOYSA-N 422.493 1.563 30 10 HDEE COC[C@@H](NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 575079726 LPKUTTFDMHQVSZ-VQTJNVASSA-N 420.469 1.279 30 10 HDEE COc1cc2c(cc1F)CC[C@@H]2NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 580020197 GJTITDLXWDSKIR-KRWDZBQOSA-N 403.435 1.788 30 10 HDEE Cc1nc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc(-n2ccnc2)n1 585475446 NCDXWCPWLLNTGF-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE Cn1cc(C#N)c(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)n1 610563736 FPYUYDWHHDJTPD-UHFFFAOYSA-N 402.842 1.700 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)CC(C)(C)C)CC1 610798455 IDDJYWLKDHPCLB-OAHLLOKOSA-N 420.535 1.332 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 610982376 AZAJFSZWHOUVKB-NNIGNNQHSA-N 411.458 1.479 30 10 HDEE N#Cc1cc(N2C[C@H](O)CC(F)(F)C2)cc(N2C[C@@H](O)CC(F)(F)C2)c1[N+](=O)[O-] 615732319 XIGKXXNCQMZOSW-OLZOCXBDSA-N 418.347 1.879 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)C12CCCCC2 619104466 ZCTCDXQIJCPOTP-UHFFFAOYSA-N 410.478 1.199 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 669808856 GWWKFOYOAJAZCM-JENIJYKNSA-N 420.558 1.177 30 10 HDEE C=CCOCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 679526220 LKTZGMMFYYJXGM-UHFFFAOYSA-N 421.519 1.069 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@H]1CCCO1 679755048 JPKFNRZIPMEYKB-OAHLLOKOSA-N 415.540 1.808 30 10 HDEE OC[C@@H]1CC(F)(F)CN1c1nc(N2CC(F)(F)C[C@@H]2CO)cc(C(F)(F)F)n1 681997587 XFEPYQIYAOVRAP-BDAKNGLRSA-N 418.313 1.908 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 730144115 XRSRDLDTMLJHEA-IAGOWNOFSA-N 404.536 1.865 30 10 HDEE COc1cc(C)c([C@@H](C)NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC 732449319 GZKJRHTVGPEGGW-NIVDNSEKSA-N 402.451 1.899 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2F)CC1 732704483 WKOWXHNFPYNJDI-IBGZPJMESA-N 414.529 1.849 30 10 HDEE CSc1cc2c(cc1NC(=O)C(=O)N1CCN(C3CC3)[C@@H](C#N)C1)OCCO2 732706428 JNFVPIROXYGDJF-ZDUSSCGKSA-N 402.476 1.317 30 10 HDEE COC(=O)[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)(C)C 736101101 RHHQPJGBTBTPFT-KRWDZBQOSA-N 423.535 1.989 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(OCC(=O)N2CCCC2)c1 740741356 AMYPRNWDWOJCQX-QZQOTICOSA-N 412.446 1.543 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3csc(CS(C)(=O)=O)n3)cc2C1=O 741826802 SMEKKABPAWOVDH-UHFFFAOYSA-N 420.468 1.827 30 10 HDEE CCN1CCN(CC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1 742245792 OAIODZBWTWFEQS-DYTRJAOYSA-N 407.540 1.075 30 10 HDEE C#CCN1CCN(C(=O)CNC2(c3ccc(Br)cc3)CCOCC2)CC1 748812363 CVNUYFUSALCQES-UHFFFAOYSA-N 420.351 1.822 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cccnc1-n1ccnc1 756922821 UFCPXVXERUMLHP-HNNXBMFYSA-N 403.450 1.349 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763436703 LLSXERKZKMXECZ-UHFFFAOYSA-N 424.501 1.796 30 10 HDEE CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 763634052 DVJLMOSGHDPOOJ-DVSFIDLUSA-N 413.474 1.972 30 10 HDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)CCCN1CCOCC1 766065242 WEXNEIIFSIVTCL-UHFFFAOYSA-N 419.297 1.760 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)c1 766898694 FRCJNPNLEHCARH-INIZCTEOSA-N 414.483 1.961 30 10 HDEE CSCC[C@@H](C(=O)OC1CCN(CC#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 770776990 SUEPEVJTTCYQFW-BBWFWOEESA-N 407.536 1.814 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cc(C)cnc2N)c1 773233746 SWSAUZNUIDVXBA-UHFFFAOYSA-N 414.487 1.008 30 10 HDEE C#CCN(C(=O)NCC1(c2ccc(OC)cc2)CCOCC1)[C@@H]1CCS(=O)(=O)C1 774195793 NCPHRWZWKXZWNS-GOSISDBHSA-N 420.531 1.575 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774998120 QCBBTCXNJFAXTM-DIFFPNOSSA-N 420.384 1.914 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCCN1CCc2c(Cl)cccc2C1 785721123 JMRWPJKFQXTXBX-VXPUYCOJSA-N 402.882 1.731 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc([C@@H]3CCCOC3)nn2C)n1 790551533 MAUVYVNLESQZBB-MRXNPFEDSA-N 400.483 1.824 30 10 HDEE N#Cc1cccnc1NCCNC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 801073895 LUPLIMUKDSMHQD-QGZVFWFLSA-N 408.462 1.344 30 10 HDEE COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cccc(C#N)n2)CC1 802485014 QRWYCMABVLXAJG-UHFFFAOYSA-N 404.478 1.888 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3COCCO3)n2CCc2ccccc2)CC1 812057403 VAYGRWQPIOIJEV-HXUWFJFHSA-N 423.517 1.575 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 812933715 LEAXGPFURBBPOI-QGZVFWFLSA-N 420.422 1.686 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(CC(F)F)c1 814186499 GZOWYUSMUXPGBG-LLVKDONJSA-N 410.454 1.625 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](c2cnn(C)c2)C1 849480041 ARLUUNGBQRKZSJ-YADHBBJMSA-N 406.534 1.671 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)n1 856587154 LZQREFMYLQOVRC-QGZVFWFLSA-N 410.883 1.915 30 10 HDEE CCCN(C(=O)[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914680212 RYDHRVXWZSOZHV-ZMSDIMECSA-N 422.503 1.683 30 10 HDEE Cc1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1N1CCCS1(=O)=O 1116178020 HPTCSQYDEKHJDG-HNENSFHCSA-N 418.475 1.390 30 10 HDEE C=CC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1116568235 PBTQUVODDLLBQC-KBPBESRZSA-N 400.522 1.915 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@]23COCCN2C(=O)COC3)o1 1132583532 OTIXLKDSBORHHT-NRFANRHFSA-N 411.414 1.088 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)cc1 1136097816 SDORLBNECZENOM-UHFFFAOYSA-N 417.487 1.941 30 10 HDEE CC(C)C[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N(C)C(=O)OC(C)(C)C 1136672509 PGUHGWWRIOHZSR-DCOQFNDQSA-N 408.499 1.911 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CO1 1142586254 MYHLMXVGXWASJN-QZTJIDSGSA-N 409.527 1.588 30 10 HDEE CC(C)(C)C#CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1148023505 OZNCHKGHXPPHNR-UHFFFAOYSA-N 406.527 1.853 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1=NOC2(CCN(C(=O)OC(C)(C)C)CC2)C1 1152128974 SVOYNASRLYPLLP-UHFFFAOYSA-N 408.455 1.448 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N[C@H]1CCCN(O)C1=O 1159642506 XKTJBFKCDVCIKO-AWEZNQCLSA-N 417.466 1.557 30 10 HDEE Cn1c(NCc2ccc(CNC(=O)OC(C)(C)C)cc2F)c(C#N)c(=O)n(C)c1=O 1163656229 AZFKJKXNYQMWPV-UHFFFAOYSA-N 417.441 1.732 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)c(C#N)n2)[C@@H]2CS(=O)(=O)C[C@@H]21 1164282055 CWSIUROFADSSQF-KGLIPLIRSA-N 412.899 1.829 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c(C)o1 1178460264 GEOOGTSUWUZBIU-CQSZACIVSA-N 403.464 1.480 30 10 HDEE O=C(c1ccnc(O[C@H]2CCOC2)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1184273846 YBMSVNOZPQEHFR-HNNXBMFYSA-N 411.414 1.767 30 10 HDEE CN(C)[C@H](CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(F)(F)F 1248376392 XRHVQEWLYYKAIN-HZPDHXFCSA-N 411.428 1.841 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1286393178 KPONCPCUVGOENX-MSOLQXFVSA-N 424.567 1.616 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286396925 XGHJXFMLZRTIAU-JXXFODFXSA-N 424.567 1.033 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1286408334 CCBTXEQMEHTKSA-SFHVURJKSA-N 417.535 1.184 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1oc(CC)nc1C 1286461623 UQQAUFJSBQKLIA-UHFFFAOYSA-N 423.477 1.919 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCn2c(C)nc3ccccc32)CC1 1286488885 XFKCPNNJJWHXGF-UHFFFAOYSA-N 405.506 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccccn2)CC1 1286489644 ASMVJGFIKMZUKH-UHFFFAOYSA-N 415.501 1.944 30 10 HDEE C=CC1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286661606 HYAUJXMGQZJGEC-IBGZPJMESA-N 403.508 1.292 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286711621 NNVTXUUXIDSNOP-IAGOWNOFSA-N 403.527 1.870 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286720960 XUILPCHRVUQUNX-ZDUSSCGKSA-N 410.931 1.897 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(OCCN2CCCC2)CC1 1286785328 DENTYNITUCOCLC-UHFFFAOYSA-N 416.570 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286819136 BHIRCVUNSAYSEW-OAHLLOKOSA-N 407.540 1.251 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN2CCCC[C@@H]2C1 1286820540 MZOHPHYUKPSHNM-IAGOWNOFSA-N 409.556 1.057 30 10 HDEE CC(C)(C)OCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1287080333 PFJYFTDDSWCNRQ-QGZVFWFLSA-N 409.494 1.846 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)N(C)C 1288606565 GADFDGXNMYGKHA-RHSMWYFYSA-N 402.524 1.390 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CC(C)(C)O)C2 1290673293 HITZCCDQQOWLJT-UHFFFAOYSA-N 408.466 1.420 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2[C@H](O)C(F)(F)F)s1 1295344839 VOYZJVJGMCCFRY-RISCZKNCSA-N 412.455 1.669 30 10 HDEE CN(C)CCOc1cc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ccn1 1295852531 OLKHJDFIQLOKPP-UHFFFAOYSA-N 420.466 1.388 30 10 HDEE CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N(C)C[C@@H](C)C#N)CC1 1296209924 BRRWHXHYXDHQQR-IBGZPJMESA-N 410.570 1.887 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)n1 1298915921 HMCDJKHZCITLQF-ZDUSSCGKSA-N 409.427 1.702 30 10 HDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C)CN1CCO 1299563459 LXUPLIFKGHLZEK-KBPBESRZSA-N 421.339 1.670 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1300269086 YXQGNISTZZZLFT-OAHLLOKOSA-N 407.478 1.728 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1300457920 CHGHRADQNWYZJJ-INIZCTEOSA-N 414.531 1.990 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2(N(C)C)CCOCC2)CC1 1300690410 KSKOZYDMDMJCHO-UHFFFAOYSA-N 412.538 1.713 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@H]2C)CC1 1300708038 MCXKSJJFNTWOJE-LJQANCHMSA-N 410.570 1.379 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCOc3ccccc3)n2CC2(O)CC2)CC1 1300728927 KJGSZAKPGSOKHI-UHFFFAOYSA-N 423.517 1.390 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300991427 SVIQXCSUPFSATJ-UHFFFAOYSA-N 420.558 1.644 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300996352 DUPDRBNOELQSJD-MRXNPFEDSA-N 420.539 1.178 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C(N)=O)cc2)CC1 1301066686 TUCIUQGRRASMHI-AWEZNQCLSA-N 418.523 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1301491735 WPIDCFAGHDUNPJ-QYWGDWMGSA-N 412.494 1.415 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1303790048 GZAGXIWPBRPWEI-CALCHBBNSA-N 419.547 1.312 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1)C(=O)OC 1309574468 WZYDDEQAKXQVIC-ROUUACIJSA-N 422.503 1.662 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2Cl)CC1 1310276706 ZSNOYVHQPWGIQE-UHFFFAOYSA-N 424.832 1.976 30 10 HDEE C=C(C)CN1CCC(NC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)CC1 1311891900 PTDVCFKUWRATRG-UHFFFAOYSA-N 423.583 1.452 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1Cc2ccccc2O1 1316097794 ICERKIMODGNYBO-SFHVURJKSA-N 424.505 1.884 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nccs1 1316297858 QFEFUJKUNJDKDF-UXLLHSPISA-N 418.523 1.820 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(OCC(N)=O)CC3)n2CC2CC2)cc1 1316533861 GUPQGAOULGDNIU-UHFFFAOYSA-N 410.478 1.609 30 10 HDEE C#CCN(C(=O)NC[C@H](C)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1320593426 LDTCENHCBNDJPA-GJZGRUSLSA-N 401.529 1.321 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1358876764 PUOUVSJZNMOLHM-LLVKDONJSA-N 414.329 1.928 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1358943303 DGGCRBXDRXKIJA-SJLPKXTDSA-N 408.466 1.042 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)COCCO1 1358979019 AGWWXTUJHWLVEF-SIKLNZKXSA-N 408.458 1.669 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1359034569 WHAKPNKNYWHAOM-UHFFFAOYSA-N 417.517 1.766 30 10 HDEE C=C(Cl)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@@]1(OCC)CCOC1 1359156422 FFNOTHDTSVTHNM-GOSISDBHSA-N 411.890 1.762 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1359158158 HRNQGHIGDMETHR-ZNMIVQPWSA-N 418.947 1.768 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359300239 WWIIOSMABCLUKN-UHFFFAOYSA-N 400.527 1.687 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(CN2CCOCC2)CC1 1359331445 ZJOBTCLHMDAXGB-UHFFFAOYSA-N 423.583 1.305 30 10 HDEE N#Cc1ccc(C(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc1Cl 1435132177 RTMHUMCHTWNXRH-UHFFFAOYSA-N 410.805 1.898 30 10 HDEE C#CCC1(NCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CCOCC1 1460799044 BIULJBWHQCOQAW-UHFFFAOYSA-N 419.547 1.962 30 10 HDEE C=CCCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1460897132 BHMLDTDBHNHTPA-UHFFFAOYSA-N 424.523 1.716 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(C)c(Br)cc3C2)C1=O 1463012496 PPDQQHABBICEEL-UHFFFAOYSA-N 420.263 1.619 30 10 HDEE C#C[C@H](NC(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1467986129 KDCPYEHRBPKKRF-QFIPXVFZSA-N 414.550 1.935 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc4c(c3)CCS4(=O)=O)CC2)cc1 1469297187 CIUPYEBBYMTETM-UHFFFAOYSA-N 410.499 1.920 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(C(=O)C(OC)OC)CC1 1469992212 SRZPJPJHYTULAY-UHFFFAOYSA-N 405.451 1.016 30 10 HDEE N#Cc1cccc(ONC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1471085272 AJZCKBNJHJLEIU-UHFFFAOYSA-N 415.349 1.845 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)CCOCC1 1471931841 REPCPKLFTHHUHL-MRXNPFEDSA-N 408.524 1.116 30 10 HDEE C[C@@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN(C(=O)c2ccccc2)C1 1472369634 HEOKFFZCGUSCAJ-JOCHJYFZSA-N 421.457 1.146 30 10 HDEE C#C[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1475855600 VRNSJLROHOAEII-INIZCTEOSA-N 421.519 1.983 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NC[C@@H](O)COc1ccc3c(c1)CCC(=O)N3)C2 1479158452 HVOGMTBHFYWYIR-RTBURBONSA-N 420.469 1.649 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)C1=O 1503675610 RYVLHDMKRMNXPB-JLTOFOAXSA-N 414.441 1.203 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)OC[C@H]4C3)n2CC(F)(F)F)cc1 1505319646 GAYIXTGHKJZFNR-CYBMUJFWSA-N 422.367 1.932 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1507556612 JRZAMIJYPDQKIG-BBWFWOEESA-N 409.556 1.697 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CSCCS1 1507612577 XMNZBKIHUURYOZ-INIZCTEOSA-N 412.548 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1507657669 VZKAFIXHBSWRFQ-UHFFFAOYSA-N 410.522 1.266 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccco1 1507660913 HMNBLMHBOHOEJT-YADHBBJMSA-N 412.490 1.894 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cnnn1C 1507661730 GFPNLDNPFJIYJN-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC[S@@](=O)C(C)(C)C)CC1 1507734105 RBAKLVHPXIKVMB-MUUNZHRXSA-N 407.584 1.915 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1507744093 NNFGEERSJZNBPU-INIZCTEOSA-N 420.583 1.525 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507842439 AIUZTAVHRARKIK-XLIONFOSSA-N 416.570 1.737 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1508038331 INCBOGGGKNBVTR-NRFANRHFSA-N 421.492 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1508077165 KWZQSLUDJULFDQ-UHFFFAOYSA-N 422.533 1.916 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](CC(N)=O)C1 1508081623 LTYKHEQAFKGNQM-OAHLLOKOSA-N 412.494 1.348 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N2CCNC2=O)CC1 1508131818 QNJXVYUVXNOTSC-OAHLLOKOSA-N 424.571 1.386 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCCC2)C1 1508131940 PFIZVRXSMDQSQI-MRXNPFEDSA-N 416.526 1.228 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC1CC1 1509000848 DNPAQGHHBJGVGP-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1510499768 GRLHYSLPFYNBBP-UHFFFAOYSA-N 424.534 1.793 30 10 HDEE CC[C@H](C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1512715592 PGZBNCMNJXKTIL-YRVVQQKDSA-N 416.482 1.532 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CCO1 1513575960 DZZRRLMFMZBDOA-IBGZPJMESA-N 403.508 1.867 30 10 HDEE CCNC(=O)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1515978009 BVGFRMUQNSTYGA-NRFANRHFSA-N 422.468 1.919 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1519390543 VSEGHRBNRHWCKU-OAHLLOKOSA-N 411.466 1.681 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C[C@H]1OC 1519502851 XUXLIOMJQVRNKJ-QRVBRYPASA-N 413.478 1.472 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cc(Cl)cc(Br)c2)C1=O 1529134711 YFYGULVCVJJSHS-UHFFFAOYSA-N 414.643 1.696 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1CCN(CCN(C)C)CC1 1539021784 LBTPRSYIDKYZEG-LJQANCHMSA-N 409.582 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCOC1 1539327536 APNQHGGQPDAPGW-NRFANRHFSA-N 400.429 1.761 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC 1539350528 OTXMITJWROYKHI-UHFFFAOYSA-N 405.524 1.691 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1539525801 CQPHUKIBRCMKRJ-CQSZACIVSA-N 416.532 1.365 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1539527031 ZMUXCQNQLNRNGZ-GOSISDBHSA-N 413.547 1.981 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NCCC 1539556479 DHOOQRNTAKGXHO-DNVCBOLYSA-N 407.540 1.089 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)C)CC1 1539721904 ISRAWNLBOMVHOB-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CC1 1539889990 GGJBLMAHDFAKFR-IAGOWNOFSA-N 410.540 1.388 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(-c3ncc4n3CCCC4)cc2)C1=O 1539989759 LLSQIRHVXSHOLM-UHFFFAOYSA-N 408.414 1.769 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1540496964 PEXLEPQQNRESRD-UHFFFAOYSA-N 423.491 1.021 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](c2nnc3n2CCC3)C1 1540871582 OWMSOOWQYKYXLO-MRXNPFEDSA-N 412.542 1.701 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1540919366 OVCGLPADPVETMT-UHFFFAOYSA-N 418.611 1.894 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCSC2)CCOC1 1541723848 JKKLEOWSOZEPSS-PMACEKPBSA-N 421.567 1.927 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnnn1C 1545544305 UUXXSMJXEUPBMA-OAHLLOKOSA-N 406.498 1.562 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C[C@H]1CCOC1)c1ccccc1)c1cc[nH]n1 1545853350 KLVGYPKERMSVHC-QAPCUYQASA-N 414.462 1.978 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1554873508 UDLJTEXXBKAACA-LJQANCHMSA-N 424.505 1.989 30 10 HDEE COCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1555445813 RDGCXJAFIIDIEZ-BBWFWOEESA-N 405.499 1.548 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1556457444 GEDXIKPDOYWPEE-SFHVURJKSA-N 412.471 1.075 30 10 HDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 1556750078 YNIZFLAVFDTPTI-CXAGYDPISA-N 415.471 1.546 30 10 HDEE CNC(=O)NCCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1557141895 MXBCENNJDPQNQX-MRXNPFEDSA-N 401.467 1.438 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)c1 1557720770 DGACMSGWOXWHST-HKUYNNGSSA-N 405.376 1.992 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cn(C[C@H]3CCOC3)nn2)c(=O)c1C#N 1558973391 QASPGMAGXKEJGR-LLVKDONJSA-N 421.255 1.111 30 10 HDEE C#CCN(CC(=O)N(CC(C)C)c1c(O)nc(=O)n(CC(C)C)c1N)C1CSC1 1559985789 AWXSRLBTCUTZOS-UHFFFAOYSA-N 421.567 1.227 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(C)(C)C 1565630414 ZUKFNGDAUDRXFJ-HYEKCJMVSA-N 408.499 1.959 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@H](C)O1 1585139419 WGBGINTWZUCVFE-PYWIUJKZSA-N 403.504 1.311 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCN2C[C@H]3CCCCN3C2=O)c1 1585463265 HNAXOQQWTBCPIO-MRXNPFEDSA-N 406.508 1.171 30 10 HDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CN1CCOCC1 1586802988 STIVPOLKMGNFPU-KAIODVNGSA-N 420.554 1.858 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(C)CN(C)C1=O 1587904562 JZCWFPAHSOCKGM-FQEVSTJZSA-N 414.897 1.409 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCN1CCCS1(=O)=O 1587994548 JAEVEOBNCUXRRM-UHFFFAOYSA-N 407.927 1.627 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCSC1 1588110163 XXNMKCPTLWRUQI-MRXNPFEDSA-N 404.503 1.747 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)COC 1588200079 BVBIJPVYEYOCEX-KRWDZBQOSA-N 404.478 1.666 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1588450183 YDWIZZSZPNUXFM-UHFFFAOYSA-N 403.464 1.332 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1593757401 CSVFFRSXPFNQIG-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594720654 RYSIRYNWVMXZPL-INIZCTEOSA-N 401.515 1.533 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOC[C@H]1C 1594797484 AYCADUATBNBZOS-MRXNPFEDSA-N 410.482 1.739 30 10 HDEE C#CCC1(NC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)CCOCC1 1596539508 RCYXIJKMDJFIQB-UHFFFAOYSA-N 412.533 1.135 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCC(O)(COCCO)CC2)o1 1596586360 YVEHBNRJPVTQCH-UHFFFAOYSA-N 400.431 1.706 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCOCC2)cn1 1618393526 VXTFURBPVATKPF-NRFANRHFSA-N 412.542 1.921 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@@H](C#N)C2)C1=O 1618458953 PLJUPPPDCCJOQM-DJJJIMSYSA-N 400.870 1.806 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cc3ccccc3o2)nnc1N(C)C[C@@H](C)C#N 1618839793 FYENEFNFVCQGMD-ZDUSSCGKSA-N 402.480 1.836 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CCO1 1620356104 SBWSGPRZMPZDJR-ZWKOTPCHSA-N 410.478 1.242 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 1620658714 XFDYVGQXYGOKGE-AREMUKBSSA-N 413.569 1.013 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 1624617091 NWIZQZQYTNCIAE-SFHVURJKSA-N 420.554 1.450 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1624729511 JGUFEHXKJFRNMZ-KBPBESRZSA-N 424.523 1.828 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1624818983 CKCOGMAWGFWVPP-OWCLPIDISA-N 408.499 1.137 30 10 HDEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCCCC1 1627635840 LMLDUBMFOOGSGI-UHFFFAOYSA-N 405.520 1.816 30 10 HDEE C=CC1(CC(=O)N2CCN(CCOCCOC)CC2)CN(C(=O)OC(C)(C)C)C1 1628155146 OSCHOCOCSUPJST-UHFFFAOYSA-N 411.543 1.607 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)/C=C\c3ccc(F)cc3)cn2)C[C@@H](C)O1 1629142989 OZOCXDQRAVGAQD-OVUXIIJLSA-N 414.437 1.879 30 10 HDEE CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C 1629264303 BABGMBPJHMVFTD-KGLIPLIRSA-N 409.508 1.804 30 10 HDEE CN(C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)[C@H]1CCC[C@H]1C#N 1631882391 IAGONHJQQVMWIP-HOCLYGCPSA-N 407.492 1.667 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3ncc4c(n3)CCOC4)ccc2c1=O 1632106778 PLTHBGURPQEFJU-UHFFFAOYSA-N 409.471 1.664 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1632877789 YFSBNXBEYDCMNI-NJVJYBDUSA-N 405.451 1.206 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)n1 1635507931 FFLSIIGQLXBQJL-HOTGVXAUSA-N 407.515 1.976 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)nn1 1636330339 BJBKMDGSABFCPP-UHFFFAOYSA-N 403.386 1.757 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)CC2)c1C#N 1636848588 JVYVVRCAWUPFMD-MRXNPFEDSA-N 410.503 1.743 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C3CCC(CC3)[C@H]2C(=O)OCC)cc1 1637393559 QOHBWMVLTUJVOO-PVARCSIZSA-N 404.488 1.544 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 1639961185 ABLWVOVOISNIAA-SFHVURJKSA-N 401.426 1.863 30 10 HDEE C#CC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1[C@H](C)COC)C(=O)OC 1642410366 BMQYUUWBXMJFCB-ZBFHGGJFSA-N 416.503 1.926 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CCc4nnnn4CC3)C2)C1 1643034900 UAIQATKNIRQAHV-LTWWHTJUSA-N 415.498 1.281 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cn3cc(Br)ccc3=O)C2)nc1 1645084890 GDGYPGVLWOJDJG-OAHLLOKOSA-N 416.279 1.981 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1 1646304374 CPCPRKBLYRWHCY-MBNYWOFBSA-N 402.900 1.415 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](c4cnccn4)C3)C2=O)cc1 1646562504 LQZYAZBBDXSDJS-RDJZCZTQSA-N 404.430 1.569 30 10 HDEE C#CCC1(NCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)CCOCC1 1648363753 GPVJDMQUEYGZIY-UHFFFAOYSA-N 408.476 1.730 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(C(=O)OC(C)(C)C)CCCCC1)c1cc[nH]n1 1648409754 TTYHFHNUYOLUNG-UHFFFAOYSA-N 422.482 1.854 30 10 HDEE N#Cc1cnc(NCc2ccccc2CS(=O)(=O)N2CCOCC2)c([N+](=O)[O-])c1 1650629634 LSNYURLSPGNQGH-UHFFFAOYSA-N 417.447 1.636 30 10 HDEE N#Cc1cncc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1 1652274262 MIFMXPVYYGZFBG-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)cc1 1653120527 KVSCPHYKFLBODG-IRXDYDNUSA-N 421.519 1.985 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN(C)Cc2cc(C#N)cs2)C1=O 1654928739 AGSFNQRCUKDBGI-FQEVSTJZSA-N 411.487 1.940 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)C1 1655176068 ZLLNZLPTKPGJRB-MRXNPFEDSA-N 422.507 1.326 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1662023829 JBZVTFPAFMGQFR-BZQUYTCOSA-N 403.526 1.722 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)c1 1666622754 XATSNUAXEXMYBM-WOJBJXKFSA-N 424.519 1.583 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)cc3cccnc23)CC1 1672670098 XHSOIEYHLDQVGP-UHFFFAOYSA-N 407.883 1.505 30 10 HDEE COCCOC1(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCOCC1 1672901817 CQNTXLFCYXDLKV-SFHVURJKSA-N 417.510 1.751 30 10 HDEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(OCC2CC2)c(F)c1 1680393745 AVHORPFEBDSGAD-LBPRGKRZSA-N 415.425 1.809 30 10 HDEE CCOC1CC2(C1)C[C@H]2NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1683899502 XKLPJJADPUXPJU-KGXSXCIVSA-N 418.519 1.532 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1690030579 ZIJLXJISTCWKTA-IAGOWNOFSA-N 421.567 1.209 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1CCN1CCCS1(=O)=O 1690268588 QQLYXEFVYBYMDS-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690359271 XHHRPDAQQGFXOW-YJBOKZPZSA-N 400.907 1.923 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690674410 ZPJBEFHQIMOMTF-ZWKOTPCHSA-N 403.527 1.697 30 10 HDEE CC(C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1692477904 VDKHQDOCZAJYJI-CQSZACIVSA-N 401.471 1.075 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(N)=O)c2)C1 1692845209 CKMADXBEDOPZJY-QFIPXVFZSA-N 421.505 1.678 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC(=O)N(C)C[C@@H]2C)C1 1696199694 DZZAQDKUYAAURD-DBXLBAIQSA-N 424.505 1.414 30 10 HDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1696586451 CWTRMPMVCIMPOR-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705522342 BLVSONQQIDSHDB-KSZLIROESA-N 424.567 1.819 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1705534166 AUWHNKGZFLRYSD-MRXNPFEDSA-N 423.564 1.722 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1705569262 AFFIJWYFUMTUKG-SFHVURJKSA-N 420.510 1.671 30 10 HDEE C=C(Cl)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1705760495 LAOPQSSCZPYFAC-HBUWYVDXSA-N 414.890 1.043 30 10 HDEE C=CCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705893753 RZYLOERTFGHOFK-FQEVSTJZSA-N 404.515 1.499 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ncc(CC)s1 1705894826 MIIXMZJAWVGPFZ-UHFFFAOYSA-N 405.528 1.374 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1cscn1 1705938429 YCEYISQCMVFSTC-UHFFFAOYSA-N 424.552 1.094 30 10 HDEE Cc1ccccc1OCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1707681269 CIVUCDTUAUMSDX-KRWDZBQOSA-N 412.494 1.923 30 10 HDEE CCc1nnc(N(C[C@@H]2CCOC2)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709055020 UQKFJVBTLDSBCC-HLAUDOPJSA-N 400.483 1.372 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CCO1 1712287332 GJEXUXHVPNMLTM-GOSISDBHSA-N 412.494 1.537 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1713910311 YVPZTHBDCAUGDA-ZKHSGZSQSA-N 401.551 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1722274891 AVLAWLCWGDHTDS-HRAATJIYSA-N 415.494 1.800 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1722297224 FBNWNIGWXWFVCL-INIZCTEOSA-N 400.552 1.552 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1722316771 MKBNYKHFTZQSJN-ILXRZTDVSA-N 408.480 1.098 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722362841 CFZKMMFUUSWPMT-HOTGVXAUSA-N 409.556 1.335 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722372424 WJDZZGCYMPGZMS-HNNXBMFYSA-N 420.564 1.260 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1722408549 KRLWMFRKSJWEGM-GOSISDBHSA-N 408.911 1.608 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCC)CC1 1722443665 LWLPENWTJMVOBA-OAQYLSRUSA-N 403.527 1.696 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1722458205 FWQNZIHFHULGHF-HOTGVXAUSA-N 418.567 1.481 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1722642109 QGJQIBKNXUASTL-UHFFFAOYSA-N 402.462 1.681 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N[C@@H](C)CC)C1 1722713353 GMCRYUGTQLTWFO-ARFHVFGLSA-N 404.515 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CC=C(C)CC1 1722725412 OGPQEPMEHUKYIN-UHFFFAOYSA-N 409.556 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C2CCC1(C)CC2 1722730016 FQNQIVGAXSDWDU-UHFFFAOYSA-N 407.540 1.523 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@]1(C)CN(C)C1=O 1726402896 LABZABUJIILUEJ-HXUWFJFHSA-N 413.913 1.917 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1729648531 NQRFELYSEOROJH-FQEVSTJZSA-N 410.478 1.216 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCOC2CCCCC2)CCO1 1731187322 NDYZXGKWGPWNRS-SFHVURJKSA-N 416.526 1.869 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C)c1 1740686064 OBUFVBRIEXFLEY-SFHVURJKSA-N 402.520 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740728737 LJVXHWJQTGCMEM-LSGABVIPSA-N 417.473 1.859 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNS(=O)(=O)CC)CC1 1740827919 OSKJDJUNUVSASI-UHFFFAOYSA-N 421.571 1.626 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1740895374 YODMXEJVGNCZOW-UHFFFAOYSA-N 411.466 1.738 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)NCCOC)CC1 1740950881 LLQWSYOORIQWKA-IRXDYDNUSA-N 407.515 1.167 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1741130687 ZWCYAGKQSMZQRF-RMYFCYLKSA-N 408.466 1.406 30 10 HDEE CC(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(C#N)CC1)N1CCOCC1 1741314132 FOAICMLIFFFENC-LJQANCHMSA-N 412.542 1.775 30 10 HDEE CCN(C)C(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1745893712 AXKNAVIFALCMJQ-GOSISDBHSA-N 419.486 1.190 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)CCC1 1746494359 COBHAMGNZPRYHD-MRXNPFEDSA-N 413.526 1.666 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCN(CC)CC1 1748635761 XHPRMWBYXBBBAX-RTBURBONSA-N 415.586 1.246 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1748717686 GCPZLBVSFYFBLG-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCCN1CCN(CC)CC1 1748841295 XUUGZGVDLCLWIX-UHFFFAOYSA-N 406.538 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H]1OC 1748892119 JBOAGIRVJHMIHN-KSZLIROESA-N 404.536 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCN(C)C1 1748902113 AFNPRTFGNKAXIS-HSZRJFAPSA-N 423.517 1.395 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1748922626 GDCCXXVLJFNQMF-JOCHJYFZSA-N 422.489 1.457 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC2(CCCC2)C1 1749678105 WDOBKEWMQWEDMG-UHFFFAOYSA-N 400.527 1.863 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCOCC2)C1 1749694877 WYACWVXHTXOYGD-ROUUACIJSA-N 420.558 1.166 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1nc(CCOC)no1 1760143610 LTXKWPNAFRXVFQ-UHFFFAOYSA-N 401.471 1.136 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCN1CCOC(C)(C)C1 1760155137 QYEUYAWHRRBFQL-QGZVFWFLSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760190431 QRHQMIHWTOWNNI-KRWDZBQOSA-N 422.576 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1c(CC)noc1C 1760250016 AHDIHHOEHIDGMT-UHFFFAOYSA-N 400.483 1.394 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(F)cn2)CC1 1760252936 YHFNUADYHWMCNM-UHFFFAOYSA-N 413.501 1.534 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nccs2)C1 1760281334 QJLFYLPJNJCRCG-KBPBESRZSA-N 418.548 1.630 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1760291787 CDIARESMTOURHK-HXUWFJFHSA-N 412.519 1.748 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760358464 WDBCKLXXEFGFQM-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)CC1 1760381808 AUVKDTWLJMBKIH-AWEZNQCLSA-N 410.544 1.090 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1760456551 RLWZXNKGZOGRHO-LLVKDONJSA-N 413.573 1.708 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1761560316 ANXAASZEPLPLKO-GJZGRUSLSA-N 411.466 1.469 30 10 HDEE COC[C@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1769295773 YYPXGEOWHXFINH-CABCVRRESA-N 405.430 1.579 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771543286 AKASSTINVOHNDY-HNNXBMFYSA-N 414.491 1.823 30 10 HDEE COc1ccc(-c2cc(CC(=O)N(C)C3CN(c4nccnc4C#N)C3)no2)cc1 1848857589 SPDXTNWHRFPWRU-UHFFFAOYSA-N 404.430 1.902 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc1 1848967101 SWGOQURAEHKJJB-SFHVURJKSA-N 415.471 1.639 30 10 HDEE Cc1cc(OC(C)C)ccc1S(=O)(=O)N(C)C1CN(c2nccnc2C#N)C1 1849315160 TVGNOVFUGFYKHJ-UHFFFAOYSA-N 401.492 1.953 30 10 HDEE CC(=O)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@@H]2c2ccc(C#N)cc2)CC1 1849426116 UIHKCCKDCADDGB-WOJBJXKFSA-N 414.531 1.642 30 10 HDEE COc1ccc(-c2ccc(S(=O)(=O)NCC(=O)N3CCO[C@H](C#N)C3)cc2)cc1 1851080813 IMIVMVLDLWSORJ-GOSISDBHSA-N 415.471 1.391 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(-n4cnnn4)cc3)CC2)c(Cl)c1 1851307946 QOBYVQRTDCQODF-UHFFFAOYSA-N 423.864 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C[C@@H](C(=O)N=c3ccc(C#N)c[nH]3)CC2=O)CC1 1851523008 PJANJVBZMRGDEH-HNNXBMFYSA-N 413.478 1.562 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCN3CC[C@H]2C3)cc1 1851608901 NDORYOVNIRLZCX-PZJWPPBQSA-N 424.526 1.364 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccc(C#N)n3)CC2)cc1 1851639226 PFJLKRBJZCIHKK-UHFFFAOYSA-N 413.503 1.422 30 10 HDEE C#CC[C@H](NC(C)=O)C(=O)O[C@@H]1CON(c2ncc(C(F)(F)F)cc2Cl)C1 1851809332 WRITXSLQAIOZSX-AAEUAGOBSA-N 405.760 1.945 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3nnn4c3CO[C@H](c3ccccc3)C4)CC2)n1 1852478723 UQYDABLMXZYTQL-SFHVURJKSA-N 416.445 1.174 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCC#CCN2CCc3ccccc3C2)C1 1852570629 PRAHFBSPWQJYOZ-HXUWFJFHSA-N 413.518 1.800 30 10 HDEE COc1ccc(N2C[C@@H](CNC(=O)Cc3cc4c(cc3C#N)OCO4)OC2=O)cc1 1852758005 QXTBJHSEFHOXAN-QGZVFWFLSA-N 409.398 1.980 30 10 HDEE N#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCSCC3)c2)CC1 1853212990 QCFKIERKCAZAPT-UHFFFAOYSA-N 408.549 1.096 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(c3ccnc(Cl)n3)CC2)cc1 1853416519 XHOVBVRZNROKAH-UHFFFAOYSA-N 402.886 1.814 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2nncn2C)c2cccc(OC)c2)CC1 1853505705 HLOUALXLNCIWQW-UHFFFAOYSA-N 405.480 1.730 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCC2 1853675915 VHZLBMGRXMGQRN-INIZCTEOSA-N 416.547 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)C1 1853739279 PRZSUDJOWKXHSV-KRWDZBQOSA-N 404.511 1.997 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)cc2F)C(=O)C12CCCCC2 1854401519 QTYHCYJRINJXME-UHFFFAOYSA-N 411.430 1.805 30 10 HDEE CCc1cc(CN2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)on1 1854434848 KJQRDSOCBGYPSH-IBGZPJMESA-N 407.474 1.668 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854438471 UQMZMEGVHWYKOM-UHFFFAOYSA-N 410.883 1.494 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCO3)C2=O)CC1 1854864553 XATRNWKYRUJYRN-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE CC1(C)CC[C@@H](N2CC[C@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)C1=O 1854950363 UUMDUCDNVYAIMI-RBUKOAKNSA-N 408.502 1.675 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)CCn3nnc4ccccc4c3=O)C2)CC1 1855074771 ANYCFGQMPOQRIR-KRWDZBQOSA-N 409.490 1.455 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc3ccccn3n2)CCN1CC(=O)c1ccc(C#N)cc1 1855166190 HFNOCMRVPSDSQL-HNNXBMFYSA-N 401.426 1.762 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)cc1 1855198398 GQVLWQASYVTRPZ-UXHICEINSA-N 406.490 1.622 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1 1855299853 ITUATXGSRSSNSD-NHCUHLMSSA-N 410.518 1.415 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1855371462 ZCYKRUZCRBDNMG-RDJZCZTQSA-N 412.490 1.541 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)CC1=O 1855575238 KJMZXWMNVNTEIU-MRXNPFEDSA-N 407.467 1.656 30 10 HDEE Cc1noc(C)c1C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1856320547 QWSVUMRDJCGBAS-KRWDZBQOSA-N 408.462 1.512 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)CCN3C(=O)c4ccccc4C3=O)C2)c1 1858298492 QMIOUPIQJHFYJW-KRWDZBQOSA-N 416.437 1.575 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 1861174505 RLUDQZRBKDKNQT-QGZVFWFLSA-N 406.914 1.214 30 10 HDEE C=CCOc1ccccc1OCC(=O)N1CCc2ccc(S(N)(=O)=O)cc2C1 1868116140 OARNVAWQRJQFRW-UHFFFAOYSA-N 402.472 1.863 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCN1C(=O)CSC1=O)n2C 1873568276 QECXTRONJTUWHJ-UHFFFAOYSA-N 414.491 1.572 30 10 HDEE C=CCn1c(C(=O)NC[C@H]2CCCO2)cc2c(N(CCOC)CCOC)ncnc21 1873593510 DEHNAQKSNVIEJQ-MRXNPFEDSA-N 417.510 1.625 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(NCCN3C(=O)CSC3=O)ncnc2n1C 1875198641 JKKMZOQPVKVNQD-UHFFFAOYSA-N 414.491 1.890 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882611322 ZHRVEBNOVXTQHO-ADKRDUOOSA-N 424.519 1.929 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C1 1891245676 YEVAIBNBPINSFC-CYBMUJFWSA-N 423.498 1.715 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc([N+](=O)[O-])c(N)s2)CCN1Cc1ccccc1 1914862764 OSURAPIQYPTKCW-CYBMUJFWSA-N 407.477 1.637 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCn2cc(I)cn2)cc1 1963528972 MYLMYTSOQXFZOI-UHFFFAOYSA-N 402.217 1.338 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)c2ncnc(N)c2C#N)C1 1981949217 FVPSJWUFPGPEIL-UHFFFAOYSA-N 410.478 1.919 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@H](CCNC(=O)OC(C)(C)C)C1 1982921630 LLVRTYIPUJRDQX-GFCCVEGCSA-N 413.334 1.840 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2nnc(Br)n2C)C1 2020890728 LBWLRBCIWCGKRN-UHFFFAOYSA-N 400.277 1.807 30 10 HDEE C#Cc1ccnc(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)c1 2061884780 DETCPGRYQOQTSP-IBGZPJMESA-N 401.419 1.829 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174778595 YWZXZCBKDGSSIJ-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1COC[C@@H]1NS(=O)(=O)CC1(C#N)CCCCC1 2174785305 XKBGNRGQELQPRK-GJZGRUSLSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@H](C(F)(F)F)C1 2186676176 NMBPDWYNORKSTB-NEPJUHHUSA-N 412.434 1.560 30 10 HDEE C=C(C)[C@@H]1CC[C@](C)(O)[C@H](S(=O)(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195274498 ZOGCMBMXZJSXSO-MMQJMDILSA-N 405.513 1.875 30 10 HDEE CC1(C)OB(C#CCNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)OC1(C)C 2243684666 FBRFYGKSVBEBQV-CYBMUJFWSA-N 416.127 1.737 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247813000 ICQUCXBUIXPKAS-UHFFFAOYSA-N 420.319 1.742 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258164779 XPULIPNIGLAZDM-SJORKVTESA-N 408.476 1.477 30 10 HDEE C#CCCN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258176902 HLHLVLXSUPZESM-QGZVFWFLSA-N 408.476 1.272 30 10 HDEE C=C[C@@H](C)CCN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2260422223 ABIMDPNVVYCZGK-NVXWUHKLSA-N 412.508 1.928 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267132853 VIEZKALCFSADCL-MRVPVSSYSA-N 408.738 1.108 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(O)CCSC2)OC1(C)C 2267728699 YTKGLDPNZJMIRA-OAHLLOKOSA-N 405.372 1.194 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N=c1nc(C2CN(C(=O)OC(C)(C)C)C2)[nH]s1 2278921605 BMXFHKFYEMLCSI-UHFFFAOYSA-N 401.514 1.586 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](C3OCCO3)C2)c1 2281808587 QPLXISIPKZVHCO-AWEZNQCLSA-N 403.284 1.829 30 10 HDEE Cc1nc(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282025428 OKVXRCVXDYOUPC-NXEZZACHSA-N 402.347 1.302 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CCNC[C@H]3C4)cc2Cl)OC1(C)C 2282311119 DGYAUQZYOKFEFF-QLJPJBMISA-N 418.777 1.731 30 10 HDEE CCN1CCC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282329655 PPWQMUJCBJIYHQ-AWEZNQCLSA-N 400.375 1.810 30 10 HDEE CN(C[C@H]1CCCCN1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282331447 NNJXEQLSOPFPMA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333073 KDYYWGZHOGQKDT-LLVKDONJSA-N 401.315 1.373 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2CCCCN2)OC1(C)C 2282333093 KLTCCGNAJMPYDZ-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)S1 2282343958 SCFXFTBYOHDSOK-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H](C)C1N 2282351360 ZKSHDMJZYQKMDR-RYUDHWBXSA-N 400.375 1.651 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1 2282417115 FVIKRSICOAEDJQ-CHWSQXEVSA-N 400.375 1.559 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCOCCF)ccc2Cl)OC1(C)C 2282490221 HPYNIEGHZYNFIG-UHFFFAOYSA-N 407.700 1.904 30 10 HDEE C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491140 KOTNLKYIUCYCDQ-BXUZGUMPSA-N 400.737 1.525 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](CO)[C@@H](F)C2)OC1(C)C 2282501429 WYBKZJQYDNCHHR-STQMWFEESA-N 405.322 1.139 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCC3CNC3)ccc2Cl)OC1(C)C 2282505966 LOBREHILMCHLMU-UHFFFAOYSA-N 400.737 1.527 30 10 HDEE C[C@@H]1NCC[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512795 VUFPHLACGMZOPD-FZMZJTMJSA-N 400.737 1.668 30 10 HDEE CCS(=O)(=O)N(C)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282625969 CEVXOTWFMMDNTO-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCO1 2282828636 RWBBNFPBUCZBCL-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE COC1(CF)CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282830751 ZMZQDOAKCQWQOX-UHFFFAOYSA-N 405.322 1.715 30 10 HDEE CCC1(N)CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282835238 RAYYRAHEJHRDRA-UHFFFAOYSA-N 400.375 1.904 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H](CO)C3)s2)OC1(C)C 2282859430 MKQLBJICJZDZRQ-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876010 WZGRLPSZRDVRHV-VXGBXAGGSA-N 401.721 1.783 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282882130 HLRCZZAQDHZGNK-BXUZGUMPSA-N 401.359 1.733 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284392849 CBYGYNMIRNZMQM-PHIMTYICSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC(=O)O)C2CC2)OC1(C)C 2284408811 ZOHCHTHZEXDGTH-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE CN([C@H]1CNCC1(C)C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2289910164 WLTNLIDLGTWKTM-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@@](C)(NCC#CBr)C(=O)O 2305987347 AFYTZYIETUSDMX-BLLLJJGKSA-N 405.289 1.801 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCC(C(N)=O)CC2)cc1 2325709622 KYXXXMUTNZXGTF-UHFFFAOYSA-N 415.490 1.240 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1 2367815046 CUZOHPKHWMFKMX-HZPDHXFCSA-N 400.541 1.292 30 10 HDEE CN([C@@H]1CNC[C@H]1F)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2369652179 JMOHSQLTTYTFMF-GHMZBOCLSA-N 424.756 1.631 30 10 HDEE C#Cc1cnn(C2CN([C@]3(C(=O)O)CCCN(C(=O)OCc4ccccc4)C3)C2)c1 2373200605 BVHJFFRJSJNEFX-JOCHJYFZSA-N 408.458 1.977 30 10 HDEE O=C(C[C@@H]1OCCN(CCO)C1=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 95952584 ANHAHNAZVASZIT-LURJTMIESA-N 418.265 1.810 30 10 HDEE C=CCN1C(=O)NC(=O)/C(=C2/C[C@H](c3ccc(OC)c(OC)c3)N(C(C)=O)N2)C1=O 102602926 HVBBUFILXKLVGJ-INQVIGDZSA-N 414.418 1.020 30 10 HDEE CN1CC(=O)N2[C@H](C[C@]34O[C@@]3(Nc3ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 103595721 KHIZOIVUANRQQJ-PYYHNFOQSA-N 405.410 1.577 30 10 HDEE in-vitro C=CCNC(=O)CN1CCN(Cc2nc(C(C)(C)NC(=O)OC(C)(C)C)no2)CC1 108965196 RMSSMEFHIBMRFB-UHFFFAOYSA-N 422.530 1.249 30 10 HDEE C#CCN(C(=O)c1csc(I)c1)[C@H]1CCS(=O)(=O)C1 113426173 AAJABSUUHUYCAW-JTQLQIEISA-N 409.270 1.615 30 10 HDEE C=C1C(=O)O[C@@H]2[C@@H]3C(CO)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 238735741 UMVSOHBRAQTGQI-UPZYVNNASA-N 410.422 1.782 30 10 HDEE endogenous,in-man CC(C)(C)S(=O)(=O)N1CCC(NC(=O)NCCOc2ccc(C#N)cc2)CC1 425985196 ORPOBCCPJGBVJC-UHFFFAOYSA-N 408.524 1.829 30 10 HDEE N#CCCn1cc(CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(-c2ccncc2)n1 435131295 YQUFAOTUIXOSBX-LJQANCHMSA-N 408.506 1.930 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2ccccc2SCCC#N)CC1 441652738 BNAKZJRQMVVWTQ-UHFFFAOYSA-N 418.519 1.727 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)c1 444019781 JPMYEUFEHCDQQH-UHFFFAOYSA-N 413.499 1.831 30 10 HDEE CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(Br)cnn2C)c1=O 447281529 RYRBGSMHOFSLSH-UHFFFAOYSA-N 409.309 1.154 30 10 HDEE COc1ccc(OC)c(CCNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 464958693 GBRNHNXDFADPGL-OAHLLOKOSA-N 410.478 1.828 30 10 HDEE C[C@H]1[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC(=O)N1Cc1ccccc1 466836863 VQRIEGARBXRRIO-PXNSSMCTSA-N 418.501 1.974 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)CC1 469839221 CCFVFIWVXGPONF-XFIJJGBISA-N 413.497 1.120 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c(Br)c1 471899009 MXCHZBKDUFOZMJ-HNNXBMFYSA-N 417.281 1.929 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)c1 476216169 IBNRTCACAKVUHZ-HXUWFJFHSA-N 412.490 1.891 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cccc(C(=O)NC4CC4)c3)C2=O)cc1 486013656 WSPLAFSSDWWDNR-FQEVSTJZSA-N 402.454 1.981 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1 497515004 CBEDTCSZZUMTOU-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE N#CC1(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CCN(Cc2ccccc2)CC1 498221100 FOLZKYBXAHGHMN-UHFFFAOYSA-N 417.469 1.657 30 10 HDEE COc1ccc(Cl)cc1N1C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)CC1=O 503640634 BPXXJDDONUDXIO-ZDUSSCGKSA-N 404.854 1.286 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 508462701 ZEXZEMFHCMSETC-UHFFFAOYSA-N 404.452 1.364 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 508803829 ZJUXEHILLDCNBH-QGZVFWFLSA-N 422.493 1.830 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CCCOCC(F)(F)F)CC1 508825467 FITOIMBLCDYLOL-OAHLLOKOSA-N 419.448 1.643 30 10 HDEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546907101 VDTGLMGKYDNGQT-UHFFFAOYSA-N 413.503 1.522 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 554898494 ALVINVMYFABIFE-NSHDSACASA-N 419.463 1.244 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNCc2ccc(C#N)cc2F)CC3)CC1 559136906 XHJOASKVOKSNKI-KRWDZBQOSA-N 410.497 1.634 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 583947214 DRRDXKJKZNPMBQ-JOCHJYFZSA-N 419.489 1.485 30 10 HDEE Cc1cc(C#N)cc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)n1 587974048 TWZNJVZPHFTGII-UHFFFAOYSA-N 413.459 1.104 30 10 HDEE O=C(O)C#CCNC(=O)c1cc(Br)ccc1I 717646517 CTYZRJOTTOCZAW-UHFFFAOYSA-N 407.989 1.872 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@@H]1CSCN1C(C)=O 730306413 VOMFSVVPJSKLQT-BBRMVZONSA-N 405.476 1.795 30 10 HDEE Cc1cccc(C(=O)N2CCCC2)c1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732415642 CURHGUXCJAHLJR-HNENSFHCSA-N 411.462 1.879 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)c1 739049485 OXLZTFLZTUNOBT-GACZMCOESA-N 421.523 1.665 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)O[C@H]1CCN(c2ccccc2Cl)C1=O 741342188 FZPHMHWJPKMNIZ-HEWTWTGNSA-N 403.822 1.905 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 742071177 ASLKSIONEJRDBE-VZCXRCSSSA-N 408.414 1.709 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)CC1 747869734 GUELDIUIBSQNJR-UHFFFAOYSA-N 411.911 1.192 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758640489 HXUSXILLXUSTKJ-GHMZBOCLSA-N 403.892 1.419 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCF)cn1 767734274 LPCUQBWYPWSNHO-AWEZNQCLSA-N 411.503 1.449 30 10 HDEE Cn1c(COC(=O)CNS(=O)(=O)c2ccccc2C#N)nnc1-c1ccccc1 771893874 REEMUEOFRRNUPG-UHFFFAOYSA-N 411.443 1.375 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 774151766 CDFVIZFZHOWHHT-AZUAARDMSA-N 421.563 1.910 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(CCC(C)(C)C#N)CC1 776589079 ZYBBZUZVJGHFEY-UHFFFAOYSA-N 413.565 1.645 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3cccc(C#N)c3)cc2F)CC1 777297283 YMJQKGKHQGWTAE-UHFFFAOYSA-N 416.478 1.958 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)CC1 778673432 CCEMYPPTXGTRFF-LJQANCHMSA-N 415.490 1.306 30 10 HDEE CC1(C#N)CCN(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 779878960 HGORPWKPNQFJTE-IBGZPJMESA-N 404.492 1.440 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCOCC2(CC2)C1 782844910 FPFXISVGDOCDQN-INIZCTEOSA-N 405.520 1.779 30 10 HDEE COC(=O)c1cccc(CS(=O)(=O)NC(=O)[C@H](C)Oc2ccccc2C#N)c1 789575314 ISISGEYTGUCOJU-ZDUSSCGKSA-N 402.428 1.758 30 10 HDEE O=C1CN(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)CCN1CC(F)(F)F 796182306 MUSYCLSLZFQJHC-UHFFFAOYSA-N 412.258 1.777 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]([C@@H](NCCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 796819277 WIDONOSUFDICEF-BQLSZWSRSA-N 420.510 1.517 30 10 HDEE C#C[C@@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 813056298 SEGJRWPNJVNGGS-GOSISDBHSA-N 410.453 1.328 30 10 HDEE C[C@H](OC(=O)CC1(C#N)CC1)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 815413613 XYHHTYNNYJNJMT-AWEZNQCLSA-N 421.475 1.272 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)NC2CCCC2)C1 917042196 XCRTVAZNNSKKCC-GDBMZVCRSA-N 422.507 1.460 30 10 HDEE COc1cccc(C(C)=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)c1 1084129810 ODWZKHVXDKMTJK-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1132586760 VTTOBUWRQNOVTM-GASCZTMLSA-N 407.492 1.729 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O 1136137963 SANUHTPDFWMRJU-HNNXBMFYSA-N 420.510 1.664 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@](CC)(C(=O)OC)c1ccccc1)c1cc[nH]n1 1140477670 HGQJCDIHVNVXEV-FQEVSTJZSA-N 416.434 1.288 30 10 HDEE C/C=C\[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1144428988 IZTDETYXDLAWGC-DBENCCAESA-N 418.494 1.688 30 10 HDEE CCN(CC(C)C)c1nc(CC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cs1 1144429833 ZNTFZMNTCUWLTM-ISLYRVAYSA-N 405.524 1.811 30 10 HDEE CO[C@@H]1C[C@H](C(=O)NCC2CCN(CC#N)CC2)N(C(=O)OCc2ccccc2)C1 1146581221 WSQHBPBAWROFBA-WOJBJXKFSA-N 414.506 1.764 30 10 HDEE C#CC[C@@]1(C(=O)N2CCO[C@H](Cn3ccnn3)C2)CCCN1C(=O)OC(C)(C)C 1148168900 COORWBPDNFJFBV-JXFKEZNVSA-N 403.483 1.299 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1C(=O)NC2(CCCC2)C1=O 1152029144 INJGTPMKAAKGLO-AWEZNQCLSA-N 413.453 1.599 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F 1155189356 GGEZKOODHXPWHF-XVNBXDOJSA-N 412.389 1.781 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@H](C#N)C(C)(C)C)CS(=O)(=O)[C@@H]2C1 1157017712 UGKZVFHJHPZARA-KBUPBQIOSA-N 413.540 1.711 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)C1=O 1158884334 TUPCUSFLZTVFNY-JTQLQIEISA-N 403.826 1.713 30 10 HDEE Cc1cc(C)cc(OCc2noc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)c1 1176711706 ZLOOXIHYAOVZMV-HNAYVOBHSA-N 402.476 1.636 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@]4(C3)CC(F)(F)C4(F)F)CC2)o1 1197720051 PLBWJFBAVNQYPJ-INIZCTEOSA-N 415.391 1.870 30 10 HDEE COc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc1C#N 1264778623 ISHKYTZODVLTRW-UHFFFAOYSA-N 414.487 1.755 30 10 HDEE Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(S(C)(=O)=O)c1 1272394730 RBYAJSIUTBYNCQ-UHFFFAOYSA-N 421.500 1.843 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1286291712 XVAQWCHXBOALNA-NGFNCXNUSA-N 424.530 1.561 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1286298479 KDBWOQGFYSJOEN-XGHQBKJUSA-N 416.547 1.936 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1286449643 BJIOHVPZRCMWGJ-UHFFFAOYSA-N 421.505 1.512 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(C)ccc1OC 1286454496 YMJKNMWLUDVKMO-MRXNPFEDSA-N 419.551 1.908 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1286465800 BHXFOLWFIIKSED-INIZCTEOSA-N 410.540 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1CC[C@H](N1CCOCC1)C(F)(F)F 1286466319 GVJGRGHQEMIAJV-HNNXBMFYSA-N 403.449 1.580 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1286483499 NITFTBUJOPPBOQ-RXVVDRJESA-N 412.538 1.137 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC[S@@](=O)CC)CC1 1286483755 XPYCHBACMJMJCJ-PMERELPUSA-N 424.574 1.805 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)[C@H](C)CC)CC1 1286484449 KUOKMHZSESDQMM-LJQANCHMSA-N 412.586 1.625 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1286722282 HDQAMTYQPTWEOB-UHFFFAOYSA-N 409.494 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(cccc2OC)C1 1286786583 HLIZEKGKHGQGAG-UHFFFAOYSA-N 407.478 1.552 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1286803419 HGYVEEKQFKCGIL-UGNRZPKXSA-N 422.526 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC2)C1 1286805930 VQQXPMMMJSJPHF-INIZCTEOSA-N 418.519 1.655 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(CS(C)(=O)=O)cc1 1287222022 CQWTVAVQUYEWMG-QGZVFWFLSA-N 403.508 1.723 30 10 HDEE Cc1nc(CCn2c(CC(C)C)nnc2N2CCc3nc(O)c(C#N)cc3C2)n[nH]1 1290464420 ZTAGCGLGDFUYEB-UHFFFAOYSA-N 407.482 1.681 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 1300214974 JUBGOZJUUVSSHW-AYBZRNKSSA-N 421.515 1.960 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCn1nc(C)cc1C 1300272473 MRSIWLPZOWUCHL-ZBFHGGJFSA-N 407.544 1.250 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300303442 KNKOKBGJBTUPAJ-IUODEOHRSA-N 412.885 1.626 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1300504027 INGUBCDZFGWMOW-AWEZNQCLSA-N 409.537 1.255 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCCC 1300579827 XKCWVIFMNCFILX-UHFFFAOYSA-N 417.473 1.583 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCn1nc(C)cc1C 1300648109 FDTSGDPPTWQTGB-UHFFFAOYSA-N 413.526 1.504 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCc2csc(C)n2)CC1 1300683965 VETHVDMPSGPIOY-MRXNPFEDSA-N 418.567 1.765 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CC1 1300690822 RBUCXCQEGNMBGT-UHFFFAOYSA-N 412.519 1.007 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1300829929 CEIBYYDXLPFFFD-UHFFFAOYSA-N 422.331 1.875 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300843247 FHSGWQUDSNXXDC-QWHCGFSZSA-N 414.304 1.032 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1 1301390192 FQPVXXYZVHVLER-KRWDZBQOSA-N 415.519 1.506 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](OC)C(C)C)C1 1301557514 PSGBAWDGPDWRDR-BBWFWOEESA-N 412.556 1.633 30 10 HDEE CC(=O)NCCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1301936221 BDGHFMGJMSQGPS-MOPGFXCFSA-N 408.478 1.287 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1301967766 GKMWOKCZJHWRBF-PMPSAXMXSA-N 420.539 1.672 30 10 HDEE CO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1302377168 PADBGMQWMRMVBR-ZBBYCGENSA-N 414.510 1.762 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1309666825 RHGKBBURCZMJOY-JTQLQIEISA-N 402.259 1.202 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1309732222 MLJZTIVIRGNTEI-AWEZNQCLSA-N 406.426 1.614 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3cccc(C#N)c3)CC2)cc1 1311353394 BCVARIRZTLAEGE-UHFFFAOYSA-N 413.503 1.498 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCO1 1313191815 ZPBWLDDMEQLYLT-XMSQKQJNSA-N 415.490 1.794 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2cccc(OC)c2)CCOC1 1314138823 FFKHQIQBXLUSNH-NQIIRXRSSA-N 413.478 1.716 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C(C)C)cc1 1315427160 PJFRKGUUPUPZKP-GOSISDBHSA-N 412.494 1.845 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)CC2)cc1 1320649607 OPJLHYXADBGWHX-UHFFFAOYSA-N 408.502 1.552 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1358874768 CPJBDCUQRZPNIR-DYESRHJHSA-N 403.527 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1358980566 ATNCDSWOHZIXOC-GOSISDBHSA-N 410.547 1.965 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)(F)F)CC1 1359216182 QOMVYEZGOPTAKK-AWEZNQCLSA-N 421.489 1.831 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)COC(=O)N2 1359229096 YFVYBQGWJPDEMF-UHFFFAOYSA-N 412.494 1.935 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cc(C)on2)CC1 1359332740 GCRNEPPFSVHEGR-UHFFFAOYSA-N 408.528 1.060 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1359332870 IWXGUPIOEVCGBD-UHFFFAOYSA-N 411.572 1.430 30 10 HDEE CC(C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359707502 VCXOKVINUHEMPJ-RMYFCYLKSA-N 415.498 1.020 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1436899452 DXCXCJJBUYVIFW-GOSISDBHSA-N 416.453 1.194 30 10 HDEE Cn1ncc(I)c1C(=O)N1CCC2(CC1)CC(=O)C=CO2 1439738556 IAMRCJGAUMLNPN-UHFFFAOYSA-N 401.204 1.503 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)c1 1454449975 JIHUOSNLQXMVBD-UHFFFAOYSA-N 414.292 1.442 30 10 HDEE N#CC1(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCOCC1 1457105839 DUJLOTMMHLPXBS-INIZCTEOSA-N 407.492 1.194 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1462106502 RGOKSQVFQMCJKV-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE Cc1cccc(C(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1464400508 RLYMSMBRUSTDAQ-UHFFFAOYSA-N 403.435 1.591 30 10 HDEE C[C@@H](C(=O)N(CCC#N)CCCN(C)C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1464477905 TZWLFBYDKYFUGW-INIZCTEOSA-N 409.531 1.148 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3cnn(C)c3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1464847696 KXDBQCKVPPIPEN-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](CS(C)(=O)=O)C3)n[nH]2)c1C 1468506567 JEDQUMHGMGDDDH-HNNXBMFYSA-N 405.524 1.973 30 10 HDEE N#Cc1c[nH]nc1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1469285054 DRJPTOMNHMYLIR-UHFFFAOYSA-N 407.761 1.871 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNS(=O)(=O)c3ccc(F)cc3)CCOCC2)cc1 1471089954 OQKMNARMHYBSNR-UHFFFAOYSA-N 417.462 1.798 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)cc1S(=O)(=O)NCC#N 1471207430 JTVLRECZKYJPFD-HNNXBMFYSA-N 413.455 1.561 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)C1 1471337174 OEJAADNQJQYMKB-LJQANCHMSA-N 403.571 1.202 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccccc3[C@H]2CO)c1 1472038504 RDSKEWPLACJZSC-GOSISDBHSA-N 402.472 1.719 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1nccn1C)C(F)(F)F 1472438300 KXUQLTOFZHPQTC-GXFFZTMASA-N 415.397 1.378 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)CCOCC1 1477096329 FBMYJJNCGQPEBA-UHFFFAOYSA-N 413.521 1.797 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)CC1 1477805539 PLLNUGURPNXMOZ-UHFFFAOYSA-N 407.559 1.583 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)C1 1478404991 XAXJCDULSIXPTH-LUKYLMHMSA-N 408.499 1.725 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1csc(C)n1 1505000089 PKLXXPAWRFSJLE-BBRMVZONSA-N 406.512 1.739 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507572508 LYIUBTWSJVNFRC-HNNXBMFYSA-N 416.507 1.352 30 10 HDEE C#CCCCCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507573365 FYHBOPSJNZNEFY-YLJYHZDGSA-N 424.567 1.747 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCCN(C)C)cc1 1507596660 MKHLHALJJXWBHU-UHFFFAOYSA-N 424.549 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(OC)CCOC1 1507705670 GAPLWOIUCIIRIM-NRFANRHFSA-N 400.479 1.845 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCNC(=O)c1cccc(C)c1 1507714820 XMINNBMYODPKBM-LJQANCHMSA-N 411.506 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)CCC)CC1 1507718137 CCIZSBWPYBFGOM-FCHUYYIVSA-N 419.570 1.625 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ncccc2C)CC1 1507718598 FIXISMHSLFAICM-QFIPXVFZSA-N 410.522 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2CCN(C(=O)OC)CC2)CC1 1507725125 PFICMHNRGJUVSI-UHFFFAOYSA-N 423.521 1.574 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1507863066 BBVYJSVTNCODHS-DLBZAZTESA-N 421.977 1.586 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(CC(N)=O)CC1 1508133572 KBBINLRAEYGQBW-UHFFFAOYSA-N 421.523 1.539 30 10 HDEE COC(=O)[C@@]1(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C[C@@H]1c1ccccc1 1516425855 RQAAXARPQJBTMH-GCJKJVERSA-N 407.474 1.596 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(=O)n(C)cc2Br)c1 1527476799 UVLLLICYFGFBJA-UHFFFAOYSA-N 402.248 1.840 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1535786694 WQOMVFDWUKSNNP-JPYJTQIMSA-N 418.453 1.617 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccc(C)cc1 1539145628 OPMSYJFYPFYBBC-UHFFFAOYSA-N 417.473 1.733 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(C)cc1 1539180342 ZVSVHHPMQDUDKP-SFHVURJKSA-N 417.535 1.232 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1OCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539212154 SOFRCMZFRDWRNQ-SOLBZPMBSA-N 415.519 1.392 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(SC)CCN(C)CC1 1539290646 JAIYJOFPQRJMIS-UHFFFAOYSA-N 416.595 1.707 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540036922 XPRFWYIYZUMUOL-IPMKNSEASA-N 405.543 1.532 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[S@@](=O)C(C)(C)C 1540189113 JABSZEYXZNYZJP-MUUNZHRXSA-N 411.572 1.700 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)CC2)cc1 1540293940 HVSLASTXTXHLQQ-NRFANRHFSA-N 422.485 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCCN(C(C)=O)CC1 1540865624 MMOTYGZWVKIHGZ-UHFFFAOYSA-N 410.522 1.868 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2)C1 1540905984 XXRDBMZYPGTYEL-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1541804630 ZHNAHMYQWIPZQQ-OAGGEKHMSA-N 412.485 1.876 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)COc2ccccc21 1542542060 PESMPSALYCHDGH-OAHLLOKOSA-N 401.463 1.835 30 10 HDEE Cc1nnc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)s1 1543126477 DMULKTTVXHKEGE-ROUUACIJSA-N 421.502 1.969 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 1544085269 SSWXJKIARNIMFM-UHFFFAOYSA-N 407.442 1.934 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1544172658 AEIPXMSVDGXPSD-MSOLQXFVSA-N 400.479 1.889 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 1544775548 YKRGJLKGPFFSFO-LBPRGKRZSA-N 406.851 1.699 30 10 HDEE CS(=O)(=O)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1544891398 BFCYWWFHBMVTBX-UHFFFAOYSA-N 424.475 1.598 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(C)(C)c2ccc(C#N)cc2)CC1 1545152442 FTCQNLYXNIIBLF-UHFFFAOYSA-N 407.536 1.735 30 10 HDEE CCCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1547075216 ZCWUMBHKQYHLLH-CJNGLKHVSA-N 402.496 1.147 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1555719674 IQSXPYYXUFGCHX-NRFANRHFSA-N 410.478 1.196 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1556822789 CTFMJJUECDXWSE-GOSISDBHSA-N 414.510 1.153 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(CCC(=O)Nc2ccc(C#N)c(Cl)c2)CC1 1559862842 DOZJLHHCGIXRHG-UHFFFAOYSA-N 418.928 1.283 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OCC 1569184580 RZJFWHGJBGIVBB-HNNXBMFYSA-N 424.475 1.105 30 10 HDEE C#CCN(C(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C1CSC1 1584186405 PSVHCLGSMOXTMZ-UHFFFAOYSA-N 423.741 1.941 30 10 HDEE N#Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cccc1OC(F)(F)F 1584771399 WDMPATTTZCOSDC-UXOAXIEHSA-N 409.320 1.558 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc2c(c1)OC(F)(F)O2 1585181736 BRKFIYTUYYDTQQ-UHFFFAOYSA-N 423.397 1.406 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)N(C)C)c1 1587974915 FTDUWMONYXZCAR-UHFFFAOYSA-N 420.473 1.825 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1588003114 QHJIWIMTXRIPNT-UHFFFAOYSA-N 412.519 1.455 30 10 HDEE C=CC(C)(C)CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1588063457 RVBAPSGGQYVMMV-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)c(O)c1 1588560166 NZOJNTLYBVRBBO-UHFFFAOYSA-N 413.478 1.363 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC[C@@H]2C)CC1 1588763102 RKTIEUVDZASVJZ-IBGZPJMESA-N 424.549 1.430 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1588864561 GAHFWYBQZDBFGP-WIYYLYMNSA-N 420.517 1.909 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cccc(F)c2)C1 1595537000 KYFRGQLHINKBAY-NVXWUHKLSA-N 412.469 1.664 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC(CCC(N)=O)CC1 1595562348 VWMQAPXZYWXLFJ-UHFFFAOYSA-N 411.510 1.048 30 10 HDEE C[C@@H]1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1612693816 BMPWZZZHNAXHPK-WBVHZDCISA-N 410.478 1.480 30 10 HDEE C[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1612890166 AVCSZGILAFVXDD-BKJYESAMSA-N 402.499 1.716 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1=O 1613380204 HBBSHBMZMWCDEX-QWHCGFSZSA-N 401.385 1.482 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCOC1 1616776897 KEUVVRBFQTVXKA-HXUWFJFHSA-N 422.503 1.995 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2ccc(C#N)o2)CC1 1618830655 VBCMEHTZRMCFKX-UHFFFAOYSA-N 421.461 1.928 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Sc2ccccc2C#N)cc1 1624162684 CRICBWIDAKKKIZ-CYBMUJFWSA-N 407.459 1.839 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)c2ccc(C#N)c(OC)c2)cc1 1624838489 QYASXIXYSPRCCX-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)Nc1cnn(CC(=O)NC2CC2)c1 1626149836 IHTHQOIJLHSQHV-OAHLLOKOSA-N 404.471 1.687 30 10 HDEE C#CC[C@@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC 1626184515 SPIXCOIVRVLFPL-GFCCVEGCSA-N 407.275 1.343 30 10 HDEE COC(=O)COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1 1626342277 DFHWZZIIUOSHHB-UHFFFAOYSA-N 417.443 1.336 30 10 HDEE CC(C)[C@@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)N1CCCS1(=O)=O 1627790758 SMNWOJNKLNSNOE-MOPGFXCFSA-N 404.536 1.655 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)C(=O)OC(C)(C)C 1629477474 IJNXTJLNSLTZEX-UHFFFAOYSA-N 401.463 1.968 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1629536868 GOUVDQVGROMEDS-UHFFFAOYSA-N 407.536 1.553 30 10 HDEE Cc1ccccc1[C@H]1C(=O)NCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1632582975 MYBJUUBHTSNAQQ-SFHVURJKSA-N 415.446 1.745 30 10 HDEE CC1(C)CN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2cc(Br)ccc21 1633081440 AXEVYTBDAUZMQN-UHFFFAOYSA-N 403.236 1.907 30 10 HDEE C#CCC1(NC(=O)Cn2nc(Br)c(Br)n2)CCOCC1 1635116897 PFYOPQXHHMCJCK-UHFFFAOYSA-N 406.078 1.492 30 10 HDEE C=CCOC[C@H](NC(=O)c1occc1CS(=O)(=O)c1ccccc1)C(=O)OC 1635158562 DZOQWTYOAZVYQA-INIZCTEOSA-N 407.444 1.728 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OC(C)(C)C)n1 1635721098 DXTJCELGBCCUGI-DYESRHJHSA-N 420.510 1.252 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1637302151 QGUALDOZMWPXFJ-UHFFFAOYSA-N 401.435 1.364 30 10 HDEE Cc1nn(C)c(N2CCN(CCCON3C(=O)c4ccccc4C3=O)CC2)c1C#N 1642751142 OCRVMYGFAAFVFA-UHFFFAOYSA-N 408.462 1.340 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1 1643702827 DBXORDQOFMUICP-UHFFFAOYSA-N 414.487 1.287 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCn2ccc(C(F)(F)F)n2)c1 1644861395 VHAAYQALKDZYRQ-UHFFFAOYSA-N 402.398 1.796 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1 1646119057 LUYJRGLOXQMRHE-JGTBNHKDSA-N 421.500 1.917 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cncs3)CC2)c1 1648266861 QYNMEPKWQBVHBX-UHFFFAOYSA-N 406.533 1.565 30 10 HDEE N#C[C@@]12CN([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]1CS(=O)(=O)C2 1648416392 ZEFLUDLZZURPAW-KCTSRDHCSA-N 414.314 1.969 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCN(C(=O)C(OC)OC)CC3)c2c1 1652250695 WQTITLJTJZVSNC-UHFFFAOYSA-N 400.435 1.391 30 10 HDEE C=C1CCN(CCS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CC1 1653320052 OSCFFVLQMRRPTQ-UHFFFAOYSA-N 407.536 1.923 30 10 HDEE CCOC(=O)[C@](C)(NC[C@@H](O)CC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 1654303100 HVVZNWNBTSKGGF-QFBILLFUSA-N 408.520 1.903 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc1 1666305888 REANZTWHYKTQEE-UHFFFAOYSA-N 418.540 1.980 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OC 1668852120 DATRWWUDVBNADK-SNVBAGLBSA-N 412.342 1.636 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccnn1Cc1ccc(OC)c(OC)c1OC 1670526316 JNUVBMZBCKQPJX-OAHLLOKOSA-N 402.451 1.853 30 10 HDEE CCCN1C[C@H](CNC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CC1=O 1670537294 IDOBBNGJRJLOIB-AWEZNQCLSA-N 419.482 1.563 30 10 HDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672351947 AJDIFSIBRRZJEO-RBUKOAKNSA-N 423.517 1.605 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)NCC3(C#N)CCCC3)nn2)C1 1674097172 CHEVZWGIYIEQCO-UHFFFAOYSA-N 403.487 1.953 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1675617824 MKGKSOZBCGOTKW-MRXNPFEDSA-N 420.535 1.651 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1682774858 PZLOZJZKFDUZAN-UHFFFAOYSA-N 401.916 1.949 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)NCC(C)(C)CC#N)CC1 1683232265 MLRKBXOCZVAPLA-UHFFFAOYSA-N 423.495 1.859 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)C2)nc1 1683560029 FQGVNGYKWLKZOK-KRWDZBQOSA-N 402.418 1.563 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC[C@@H]1NC(=O)NC1=O 1690063874 RVSKLWFDEWULBP-HNNXBMFYSA-N 411.422 1.301 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1690187963 BQQTYUDHAIBURU-WMZOPIPTSA-N 421.567 1.427 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCOC1=O 1690196113 YSGFDBJJEPRLPF-RTWAWAEBSA-N 417.510 1.765 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCOC1 1690211351 YYPLOYNLAJDJKO-UXHICEINSA-N 415.519 1.413 30 10 HDEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C)C1CC1 1690545280 NDVZPSCQSRUIBE-IEBWSBKVSA-N 416.570 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690667021 OBNQBPURIFMNJR-IRXDYDNUSA-N 412.469 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)C(C)(C)C1 1690714455 MXRNFEQJMXBAHB-MRXNPFEDSA-N 423.583 1.987 30 10 HDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)C1 1693662830 BHQXNIAPSWNZBK-VQHPVUNQSA-N 401.515 1.078 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1697698482 MOIGZWWSTJDGFQ-ARFHVFGLSA-N 418.885 1.774 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br 1698060507 BMCVLQCILDWSAB-SNVBAGLBSA-N 421.246 1.583 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1705561413 TWWDIGHZANBDNJ-SFHVURJKSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705570519 OBFFNPHXJCBKHA-CJNGLKHVSA-N 405.524 1.876 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2nncn2CC)CC1 1705646294 DKFVDHWXIAGTMN-UHFFFAOYSA-N 422.493 1.472 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCCc1cnn(C)n1 1705669789 WXMDIDMQOKQKIW-NHCUHLMSSA-N 413.526 1.684 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)COC)CC1 1705702307 LHDVEBVMSSTTCI-XLIONFOSSA-N 405.543 1.753 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705724694 IEBFXMHQCNSWIP-CYBMUJFWSA-N 414.432 1.700 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1705905586 ACVWJABZUAGSDS-UHFFFAOYSA-N 420.473 1.931 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](c2ccco2)N(C)C)C1 1705922115 GMEXOGOFONWYEO-IXDOHACOSA-N 414.510 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(C2CCC2)CC1 1705932138 MVNKAUWZVWTQLT-UHFFFAOYSA-N 416.551 1.615 30 10 HDEE CO[C@@H](CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)C(F)(F)F 1711528970 CHHYJZFCYCMUCN-DOMZBBRYSA-N 424.431 1.931 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1712049967 YVNABUOWYCENCZ-NEYJZJCJSA-N 419.526 1.863 30 10 HDEE COCCN(Cc1ccco1)c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O 1712447904 IGKMAIDXKUBKNV-ZCXUNETKSA-N 400.439 1.359 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1722294721 HQXASAKQMDPQSV-KBPBESRZSA-N 405.524 1.972 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1722366671 IZXSOVWVNUBNIR-OQRWROFFSA-N 424.592 1.474 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722367947 NRBXGTJCDCJOTJ-SJORKVTESA-N 417.535 1.678 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccncc2)CC1 1722428925 CWEOWCSNEDIWPZ-UHFFFAOYSA-N 409.538 1.589 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722522248 GMPZHNLYORQDNH-OAHLLOKOSA-N 407.540 1.743 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722563851 BNRSLKRXGYPXCL-NHCUHLMSSA-N 403.527 1.953 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)CC1 1722574659 PIZRWKYNHOIEGT-CQSZACIVSA-N 424.571 1.350 30 10 HDEE C=CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1722622214 HSGLZQRWAJTVIK-LPHOPBHVSA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722699155 CPDVBNLEJKQNKL-DOTOQJQBSA-N 412.469 1.025 30 10 HDEE C[C@@H]1C[C@H]1n1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1726485508 HNXUSGRVVPGURL-RHSMWYFYSA-N 400.508 1.869 30 10 HDEE CN(Cc1cscn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1729441399 ZVNPZIVBUUXKSN-LBPRGKRZSA-N 418.504 1.786 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1729679439 HPNAHQPITLMXKR-GOSISDBHSA-N 408.462 1.115 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1730731756 IFQACIOTKVUZKC-UHFFFAOYSA-N 423.565 1.927 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)CC1 1730813360 GMLNOBBKGZRCMV-UHFFFAOYSA-N 409.494 1.036 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740580079 XFGJCHQKJYMPQH-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1740601846 ZXNUAELORIFLCB-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1740625630 HBQCHJKAQRJFAG-CVEARBPZSA-N 410.540 1.307 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1740626920 WXGXPSWLGGFIMR-LJQANCHMSA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OCC)c1 1740629262 HPPWIYMRCAYASV-UHFFFAOYSA-N 409.490 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCN1CCOC[C@@H]1C 1740644055 ZJRNTIXSOVYBEX-FQEVSTJZSA-N 407.518 1.693 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1740671391 GKIADVRXNGDRII-INIZCTEOSA-N 410.540 1.083 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC2CCC(OC)CC2)CC1 1740694360 HPRKKZSTBQIEGX-CTWPCTMYSA-N 414.554 1.580 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1740850261 DVNVIPZLZBEIEK-HZPDHXFCSA-N 424.571 1.952 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740881045 VRFYWDSOYWNNRM-MSOLQXFVSA-N 403.527 1.970 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1740887490 IRXYPQYEHVQPDB-QFBILLFUSA-N 407.540 1.903 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1740940618 NBAQFWORHXIJAF-GOSISDBHSA-N 422.493 1.497 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC[S@](=O)CC)C1 1740979843 LRJVSFYRUJXJAU-IZPCHGGPSA-N 421.523 1.556 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1741176297 ZTHCDEMDNZPPCF-QGZVFWFLSA-N 412.494 1.830 30 10 HDEE CCCN(CC)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1745600758 NRMGPHVLRLHUBL-QFPXGYFVSA-N 402.499 1.935 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(N(C)C)CCC1 1747193916 PTCYYIJDXLNAIC-UHFFFAOYSA-N 424.553 1.892 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1748926309 SRAYWMUSFLQJLP-MRXNPFEDSA-N 418.519 1.705 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CC(=O)N(C)CC)CC1 1748999315 PJBBMBLUPMDNJX-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCNS(=O)(=O)CC 1749071588 JXIFBBVZLMILGT-HXUWFJFHSA-N 416.551 1.585 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCS(C)(=O)=O 1749127538 NBJXBRYJQFGYPX-NVXWUHKLSA-N 422.555 1.531 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)nc2)CC1 1749286475 MIVDVACSOKHGCH-OAHLLOKOSA-N 419.555 1.554 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC(=O)N1CCOCC1 1749572834 CVLJAVWKHROJIK-UHFFFAOYSA-N 414.466 1.043 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1749744391 JJQGCHJJRFXZEB-KBPBESRZSA-N 417.601 1.811 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CCO1 1751038634 NLJMQJJWHDFXNW-QAPCUYQASA-N 401.467 1.925 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C[C@@H](C)CC 1760155272 UUFRPROLQLZTMR-DLBZAZTESA-N 411.572 1.897 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760214245 GXIBRJHFPHMVTA-SFHVURJKSA-N 415.457 1.268 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCCCC1 1760244264 OXPUQTPIAOAOGP-OAQYLSRUSA-N 406.527 1.711 30 10 HDEE C=C(Br)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCOCC1 1760302421 CMBATDBMHNHUJD-UHFFFAOYSA-N 417.271 1.666 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760376825 FOOZQGOUUAQMMY-UHFFFAOYSA-N 424.958 1.877 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(N2CCCNC2=O)CC1 1760520360 LETQMNPBVCARCN-UHFFFAOYSA-N 424.509 1.026 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1760521590 XYRJJBAJZHATLQ-ZWKOTPCHSA-N 408.506 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760541878 BHFHZAOKFMLQMM-CABCVRRESA-N 404.515 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCOCC2)C1 1760546114 IXGRXCJVHCRPAD-QGZVFWFLSA-N 419.551 1.957 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC)C1 1760564086 OIRDRTFRHGJLOG-CQSZACIVSA-N 421.523 1.777 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1761217003 CAMBCIWNSUPECA-HXUWFJFHSA-N 413.457 1.200 30 10 HDEE CO[C@@H](CCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1769611158 QAIKDIBEWDMPQW-GJZGRUSLSA-N 410.400 1.960 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(N)=O)nc1 1769846302 ZKZLSHHTBOHFCB-MRXNPFEDSA-N 413.482 1.081 30 10 HDEE Cc1ccc(-n2ncc(C#N)c2NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)cc1 1851620290 QBKQQOYFBMQZBX-INIZCTEOSA-N 406.490 1.934 30 10 HDEE N#Cc1ccc(CNC(=O)CCCCCN2CCN(C3C(=O)CCC3=O)CC2)cc1 1851868489 CKDQCMITSLBUMH-UHFFFAOYSA-N 410.518 1.653 30 10 HDEE N#Cc1ccccc1OCC(=O)NCCn1ncc2c(N3CCCCC3)ncnc21 1852121878 HXFHAGHFSQWWES-UHFFFAOYSA-N 405.462 1.883 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)CCCN2CCOCC2)c1 1852398305 RJDFTQGMFRASEK-UHFFFAOYSA-N 414.915 1.583 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3c(F)c(F)c(OC)c(F)c3F)C(=O)C2)C1 1853633319 WSHUHRPCSGOQHW-NSHDSACASA-N 415.387 1.796 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)C4CCC4)C3=O)CC2)CC1 1854340500 XZTKOCXWXYFJQL-LJQANCHMSA-N 400.523 1.778 30 10 HDEE Cc1cc(OCC(=O)N2CCN(S(=O)(=O)CC#N)[C@H](C)C2=O)cc(C)c1Cl 1854872762 RFVHLLSZYDCTPB-CYBMUJFWSA-N 413.883 1.248 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3ccncc23)CCN1CC(=O)c1ccc(C#N)cc1 1855140791 BBYXMFHUWWVNSS-AWEZNQCLSA-N 402.414 1.157 30 10 HDEE CC(=O)N1CCO[C@H](CN2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2(C)C)C1 1855217073 VCRIQAPXWDTUMO-IBGZPJMESA-N 412.490 1.177 30 10 HDEE C[C@@H]1CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855421622 WVBASJKQHIODEA-VQIMIIECSA-N 417.531 1.517 30 10 HDEE C=CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)C1 1855557868 URPOARVQPGKKOM-UHFFFAOYSA-N 419.547 1.968 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(c4nccn4C)CC3)C2=O)CC1=O 1855779155 TZLYQLPOHCGKCK-ROUUACIJSA-N 413.522 1.152 30 10 HDEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856152307 CDTNZIKSHRYOSI-GFCCVEGCSA-N 413.883 1.410 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)CCCn3ccccc3=O)C(=O)C2)cc1 1856271198 LKGTVFOBQXSHHC-UHFFFAOYSA-N 408.458 1.250 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3nc(-c4ccccn4)no3)CC2=O)cc1 1856295634 RYLQGQHKSXCODJ-UHFFFAOYSA-N 402.414 1.417 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1856787165 DVVPWDKSUMWMSM-UWJYYQICSA-N 400.454 1.121 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ncn3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857050282 HWEIBUAYYITXLG-FUHWJXTLSA-N 413.522 1.317 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cn(CC)nc2C)C1)[C@@H]1CCN(C)C1=O 1857052969 FIBHAYIEGYPGAM-SJLPKXTDSA-N 401.511 1.309 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)C[C@@H]3CCC(F)(F)C3)C2=O)C1 1857108542 WIWRACSYDBVCJR-XJKSGUPXSA-N 404.417 1.969 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(C(F)(F)F)nc2)C1)[C@H]1CCN(C)C1=O 1857264743 OSOQYRDAMZTYFR-HIFRSBDPSA-N 424.423 1.808 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862598463 VGNJTEXLRPTDOF-SFHVURJKSA-N 424.409 1.805 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1870143286 GHGOTXYULAXPRG-UHFFFAOYSA-N 412.431 1.771 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccncc1 1874276985 HIUDKTDFCMMUOQ-YVJZOELXSA-N 416.507 1.935 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC[C@@](F)(C(N)=O)C2)[C@H]1c1ccc(C#N)cc1 1889291158 HWEBBZZOLOEDFB-UWVAXJGDSA-N 418.494 1.378 30 10 HDEE Cc1cc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)nc(N2CCOCC2)n1 1889422695 NPPJJCMHERCBPK-UHFFFAOYSA-N 406.490 1.385 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H](CO)NC(=O)OC(C)(C)C)[nH]1 1900333050 GSHOOHINSNYKDG-HNNXBMFYSA-N 407.320 1.409 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985099911 BYPPGOBJMORGRS-CMDGGOBGSA-N 404.276 1.795 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nc(Cl)c(C#N)s2)[C@@H]2CS(=O)(=O)C[C@H]21 2106586974 KBGWMSGMKDYLBE-NXEZZACHSA-N 418.928 1.891 30 10 HDEE N#CC1(CS(=O)(=O)N=c2cnc(I)c[nH]2)CCCCC1 2166330694 MUNDMCLGAUUSTL-UHFFFAOYSA-N 406.249 1.719 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)OC(C)(C)C1 2174787765 XVIINTYOPNFJKE-KBPBESRZSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]12CC[S@](=O)(=NS(=O)(=O)N1CC(C#N)C1)C2 2174788014 ZWPIJTYTNBYVST-YHAMSUFESA-N 418.541 1.328 30 10 HDEE N#C[C@@H]1CNCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br 2191770866 XMRPAJBZPRGANZ-MRVPVSSYSA-N 424.118 1.280 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@](C)(CN)CS(=O)(=O)CC 2194762510 RWMWOFZMPOVTFJ-LJQANCHMSA-N 401.573 1.473 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2199850737 DFEXLSYSTYEIDW-NYVOZVTQSA-N 418.490 1.579 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247837482 SOXSZDUNOSRJJK-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE Cn1cc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247844519 DBTGDEDJNSSJCQ-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181496 OLSPXFXAKYBWRK-XJKSGUPXSA-N 409.464 1.320 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282188798 AUYCRLMFFMBNRP-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@](C)(N)C1 2282326562 UWGCOPJENPOEAG-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE COC[C@]1(F)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332087 WDXVPLWEYKXMPA-INIZCTEOSA-N 405.322 1.796 30 10 HDEE CN1CCCC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282332855 HEOGZRIOKUYSLL-CQSZACIVSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CC[C@](CO)(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282346526 OOKDFBXORORHHJ-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@]2(C)CCOC2)OC1(C)C 2282508708 AAMOYMBIGYPHOH-MRXNPFEDSA-N 402.347 1.288 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CCS1 2282513098 XRULCMPYKFOJHI-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(CS(C)(=O)=O)C3)sc2Cl)OC1(C)C 2282612110 REFMTUJJWGAMKF-UHFFFAOYSA-N 419.761 1.817 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCS(=O)(=O)CCN3)sc2Cl)OC1(C)C 2282620776 JTEHTLQCCHQVJU-UHFFFAOYSA-N 420.749 1.076 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)C[C@@H](F)C1 2282832149 KLIGXWWDPZYJFI-VXGBXAGGSA-N 405.322 1.449 30 10 HDEE CCCN(C1COC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282841496 VJLJJPUWTSDHIE-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@](C)(C(=O)O)C(F)F)c2)OC1(C)C 2284394342 XERVAAGEEOJOMY-CQSZACIVSA-N 411.257 1.434 30 10 HDEE C=C(CS(=O)(=O)N1CCSC(C)(C)[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284395524 MFTJOXMBGXPMNV-GFCCVEGCSA-N 405.347 1.784 30 10 HDEE CC1(C)OB(c2csnc2CO[C@H]2CCCN(S(C)(=O)=O)C2)OC1(C)C 2285598779 DWXJYYIRMJLIQG-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C=CCN1C(=O)C(=Cc2ccc(OCC(=O)OCC)c(OCC)c2)C(=O)NC1=S 2294199290 OCNTYPNSSPWJCJ-UHFFFAOYSA-N 418.471 1.840 30 10 HDEE C[C@]12C[C@H](O)[C@](CCO)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12 2295063960 BPJNTBUSZBJIOJ-PUMWCKSCSA-N 410.348 1.357 30 10 HDEE C#CCOCCOCCN[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2346682039 APDUEWZQYPSGHC-NRFANRHFSA-N 404.463 1.498 30 10 HDEE CCCN[C@@H](C#CC(C)(C)OC)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363522854 ARETYEZBGKYQED-HOTGVXAUSA-N 402.557 1.721 30 10 HDEE COC1(C#C[C@H](N)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCCC1 2363728463 UKKVEXXBMFJYIZ-HOTGVXAUSA-N 400.541 1.701 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(CC[C@@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365213210 TUNSDMHWOBYHMX-RWNCWCDWSA-N 400.541 1.339 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2367787290 KJYHZVUPTJGVOP-HZPDHXFCSA-N 400.541 1.427 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(NC(=O)OC(C)(C)C)CCOCC1 2367788040 NPZUKCNZDVLMME-OAHLLOKOSA-N 400.541 1.619 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OC)C1 2367799741 CVADZSXNTMMCEE-YZVOILCLSA-N 400.541 1.617 30 10 HDEE CC1(C)OB([C@@]2(C)CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2368352462 XUAJMGUEQMCOAL-DYVFJYSZSA-N 403.375 1.992 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@H]1[C@H](O)C#CC(C)(C)S(C)(=O)=O 2381419130 JSPDWGIZVSAKIH-HUUCEWRRSA-N 401.525 1.590 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C 4533904 AWIJCYLMKAQLHO-XUVXKRRUSA-N 403.523 1.604 30 10 HDEE CCc1nnc(CN(C)C(=O)CSc2n[nH]c(N/N=C/c3cccc(O)c3)n2)o1 20906743 GAVWFPNSAATJKS-QGMBQPNBSA-N 416.467 1.652 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1 46102272 PAJBTTOBPVBTPH-UHFFFAOYSA-N 412.471 1.842 30 10 HDEE C#CCOc1ccc(CCNC(=O)C2CCN(c3ccc4nncn4n3)CC2)cc1 109731236 WLCXBQRAQOOFAP-UHFFFAOYSA-N 404.474 1.712 30 10 HDEE COC1=CC=C/C(=C/NNc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)C1=O 136096094 DOLYHMDTWNCHKH-PFONDFGASA-N 421.461 1.921 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 409573314 JXAXKMRYKVFBHZ-CYBMUJFWSA-N 416.345 1.692 30 10 HDEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)N[C@H](CCCC#N)c3ccccc3)cnc21 431643547 BVGOZEGKZRRVDK-MRXNPFEDSA-N 413.459 1.748 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 432213826 GIZBNEJCBYZDQY-YJBOKZPZSA-N 416.565 1.880 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)[C@@H]2CCN(c3ccccc3F)C2=O)n1 440329895 VJYQZKMVZNCSKD-MRXNPFEDSA-N 412.425 1.677 30 10 HDEE CCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCOC2)CC1=O 461369635 HPDJXANNGIHHBE-SFHVURJKSA-N 424.505 1.824 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCOC1 461551691 PFXNZEVHVHYQED-BPQIPLTHSA-N 424.505 1.855 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474839701 LJSLATTXDYGQCQ-CABCVRRESA-N 416.478 1.567 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](OC)C[C@@H]3CC(=O)OCC)cc2C1=O 479039579 GSNGZYIVZGJZCA-HUUCEWRRSA-N 400.431 1.651 30 10 HDEE CN(CCC#N)S(=O)(=O)N1CCN(Cc2ccc(Br)cc2)CC1 480845446 LYTBGLWZPWGAMT-UHFFFAOYSA-N 401.330 1.657 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)c(F)c1 481029486 ZBTUQDKWAAJTJO-ZDUSSCGKSA-N 400.378 1.835 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482366575 ULCLSRKTHPVYAH-JSGCOSHPSA-N 403.508 1.323 30 10 HDEE COC(=O)C[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)cc1OC 489678133 WFXLUVLOMXSAKW-KRWDZBQOSA-N 419.459 1.862 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503636643 WJZRMAHRNJYQCE-INQMYDFZSA-N 408.451 1.200 30 10 HDEE CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OCC)cc2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21 504707031 QMNAXMQXFDUTGE-VAWZGJIGSA-N 423.469 1.823 30 10 HDEE biogenic COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCN(c3ncccc3C#N)CC2)c1 506963690 FXINCONQUYVBOV-UHFFFAOYSA-N 423.429 1.881 30 10 HDEE Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508190657 QTIBDDJZVOIYAN-GOSISDBHSA-N 403.446 1.921 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508496495 ZGDTZAUYDISHNN-GOSISDBHSA-N 419.489 1.561 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C#N)cc1 508828579 PSNDCNJOKSLWLD-KRWDZBQOSA-N 416.507 1.305 30 10 HDEE C=CCNC(=O)CN1CCN(c2cc(Nc3ccc(OC)cc3OC)ncn2)CC1 511857490 FSRRJOIBIQQETE-UHFFFAOYSA-N 412.494 1.662 30 10 HDEE Cc1noc(C)c1CO[C@@H]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 545173888 UAYKGBIOUOQVEH-QUCCMNQESA-N 403.527 1.575 30 10 HDEE N#Cc1cccc(N2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)n1 546179161 SSCUAYCJYJOQQJ-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 546196550 XPWNRLUNVSQIQV-UHFFFAOYSA-N 419.489 1.839 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 553309652 YBJJPTJNWLEBNH-JLZZUVOBSA-N 404.417 1.494 30 10 HDEE N#Cc1c(NC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)n[nH]c1C1CC1 557929474 PKLIDRDPTLJQCS-GOSISDBHSA-N 404.430 1.573 30 10 HDEE N#Cc1cncc(S(=O)(=O)N(CCO)Cc2cc(Br)cs2)c1 558471565 URHXOIXFXJUPKU-UHFFFAOYSA-N 402.295 1.960 30 10 HDEE COc1ccccc1C(=O)N1[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@H]2CCCC[C@@H]21 561269538 CQQCLEQTKGSONB-NJAFHUGGSA-N 422.489 1.748 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)c1 582330670 DXOSHTFMLVZQEB-QGZVFWFLSA-N 413.455 1.929 30 10 HDEE CCOc1ccc(C(=O)N2CCC(NS(=O)(=O)c3cncc(C#N)c3)CC2)cc1 583410240 BPEPITLTJHBELZ-UHFFFAOYSA-N 414.487 1.935 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)[C@H](C)C1 586864054 IWSYBWLJKWJELQ-BEFAXECRSA-N 404.486 1.567 30 10 HDEE CC(C)Oc1cccc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CCOCC1 725385140 WOMJPGITGAILQW-UHFFFAOYSA-N 411.329 1.794 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)N3CCCC3)sc(=Cc3ccoc3)c2=O)cn1 727416987 BGNKILKNHFDHSZ-UHFFFAOYSA-N 422.466 1.021 30 10 HDEE C#CCN(C(=O)C[C@H](NC(C)=O)c1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 729333348 WYXPPOVLAPDOPA-WMZOPIPTSA-N 406.504 1.302 30 10 HDEE C#CCN(C(=O)CCCOc1ccc(C(C)=O)cc1OC)[C@@H]1CCS(=O)(=O)C1 729334084 IFDKPFMTHBIHEP-QGZVFWFLSA-N 407.488 1.706 30 10 HDEE Cn1c(=C(C#N)C(=O)c2ccccc2F)sc(=Cc2cnn3ccccc23)c1=O 729670580 WSRUPPBVQHCIOA-UHFFFAOYSA-N 404.426 1.620 30 10 HDEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 731862302 CFQOQKWWKZXKDL-LLWUOSFCSA-N 412.490 1.782 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCN1C1CC1 732703709 JHBVNRMBLURIJN-FPOVZHCZSA-N 424.549 1.266 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1N1CCSCC1 732705730 FNLJZXSXMKPALR-GOSISDBHSA-N 413.547 1.686 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(O)C2 736185845 DNMBBBLRMDGMJM-GRDNDAEWSA-N 405.520 1.654 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2occc2C)c1=O 743725648 WMPSIHNZHIHZQM-UHFFFAOYSA-N 424.478 1.852 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OCC(F)(F)F)cc1 747458290 NPNRUTKIBPMALW-GFCCVEGCSA-N 411.423 1.439 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCCNc2ccc(C#N)cn2)CCCC1 749343117 PNEWNXWYRQGMEU-UHFFFAOYSA-N 409.494 1.575 30 10 HDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@@H]1CCOC1 751682030 URSNPECTMJCCDE-RHSMWYFYSA-N 420.535 1.484 30 10 HDEE CC(C)n1cnnc1-c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 755242371 QRROPKSGOJKYGR-MRXNPFEDSA-N 407.478 1.663 30 10 HDEE CCOC(=O)c1sc([C@@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)nc1C 757021194 GMJRKINVQBUIRI-KTEBKFLVSA-N 406.464 1.722 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 757362284 QBWDNFKYFNBCKM-LJQANCHMSA-N 405.476 1.316 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCCN1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 774195861 URKJXJZLGUIQIY-PMACEKPBSA-N 403.548 1.873 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nc1 776062161 SAHAHRKZMWTNPV-AWEZNQCLSA-N 406.512 1.362 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 781445320 UBVWNCPMNJCRQO-UHFFFAOYSA-N 420.512 1.929 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cc(OC)nc3C)c2=O)cn1 781660760 GOOXYJQUTFTKJJ-UHFFFAOYSA-N 406.471 1.163 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cn(Cc2ccccc2)nn1 790036189 WIFQGVPLJQUUFH-UHFFFAOYSA-N 410.459 1.394 30 10 HDEE C[C@H](CC(=O)N1CCCC[C@H]1c1ccnn1C)/N=C1/NS(=O)(=O)c2ccccc21 799047574 DOOJKOJJWOHFOO-PBHICJAKSA-N 415.519 1.991 30 10 HDEE CCc1oc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1C(=O)OC 800847255 VKONKGGOLRSKPI-CYBMUJFWSA-N 413.455 1.057 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 806679947 OBBCVJPXUUNGDL-HXUWFJFHSA-N 420.517 1.449 30 10 HDEE C#CCN(C(=O)Nc1cc(F)c(F)cc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 806715386 GSQGSHVARCFALE-CYBMUJFWSA-N 413.446 1.456 30 10 HDEE C[C@@H](OCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1nccn1C 808274587 VPLGTKSHWHVZBH-PFKVCDDJSA-N 419.507 1.949 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 809907685 PMMKRSKGTRSJDD-WBVHZDCISA-N 412.494 1.981 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812146824 GEJKTQNHJIYUIC-INIZCTEOSA-N 419.463 1.126 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1=O 816640120 VIAYFOCJDBTFGJ-INIZCTEOSA-N 413.478 1.159 30 10 HDEE C=CCN(C(=O)[C@@H]1CCN(C(C)C)C[C@H]1c1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 849504264 BUHLTTLYIAHEPG-OTWHNJEPSA-N 408.568 1.436 30 10 HDEE CCN(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)C2)ccn1 856543226 BZEPRMGXZMNXKO-IBGZPJMESA-N 415.519 1.950 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 920252069 HKPCXKUHTHMLHT-INIZCTEOSA-N 420.457 1.038 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2cc(C)c(OC)c(C)c2)c1=O 920395934 QNOBQQBPHRANKH-UHFFFAOYSA-N 411.483 1.515 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)cc3)CC2)C1 1116789357 VYACOKIRFQHPBB-QGZVFWFLSA-N 422.503 1.589 30 10 HDEE COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)ccc1C#N 1127401527 DNENALDZYKRQPI-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1cccc(Cl)c1 1134429244 UWVFVHBVFNJZIS-KPZWWZAWSA-N 419.894 1.493 30 10 HDEE COc1c(F)cc(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1S(N)(=O)=O 1138309027 JISNBJFVKVGOCE-FQEVSTJZSA-N 417.462 1.592 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1cc(Br)nn1-c1ncccc1Cl 1141380269 KQLASADQNXAYSI-MRVPVSSYSA-N 400.620 1.403 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)C12CCCC2 1144998557 DPVXBTGPUOLMIV-AWEZNQCLSA-N 417.466 1.259 30 10 HDEE CCn1ccc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1161894726 SWYIIKHFALEBBN-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1CCC(n2nncc2I)CC1 1166780814 CPGBQKNBSKKBTC-UHFFFAOYSA-N 422.230 1.935 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1171181368 LLNMGJAZGBSQMC-CSODHUTKSA-N 405.495 1.938 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1171920263 YEXUSOBSVBKFGJ-DARAHFNDSA-N 423.466 1.089 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)cc1OC 1177894671 TWBNBGUJEOZYHI-VQHVLOKHSA-N 411.462 1.609 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1196330080 SWRDBGWUFTYDAF-BGYRXZFFSA-N 403.548 1.844 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 1211981754 LZDOSZNBLUZRQF-WFASDCNBSA-N 420.350 1.868 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113567 ZWAWFGVKRRFXAM-UXHICEINSA-N 419.485 1.710 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ncc(C(F)(F)F)cn3)C2=O)cc1 1227631831 JCTIWSHUGPYYNU-OAHLLOKOSA-N 418.379 1.967 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3ccc(C(C)C)cc32)CC1 1233509574 LAYFKWITGVDFFZ-HXUWFJFHSA-N 418.563 1.982 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 1234065712 UKWRHYJADFKCMW-SJLPKXTDSA-N 404.492 1.142 30 10 HDEE C=CCn1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)nn1 1235394651 OFVMKNFVJFKHBV-UHFFFAOYSA-N 416.866 1.034 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1251170087 WKVOUVXCWNIDBX-KEDZRVRNSA-N 408.495 1.882 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1255243565 WSXOEFMOAOAZGP-UHFFFAOYSA-N 407.474 1.175 30 10 HDEE N#Cc1c(NC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)ncc2c1COCC2 1276481891 STPLNMRMIJRBCQ-GFCCVEGCSA-N 418.500 1.566 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1286272615 BJOOFGAXOWMNTM-KKSFZXQISA-N 419.526 1.059 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1286363939 VLADJYBZFDXYQA-NQIIRXRSSA-N 405.543 1.356 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(NC(N)=O)cc1)[C@H]1CCS(=O)(=O)C1 1286395754 UNENBAPMVKKGBS-INIZCTEOSA-N 416.507 1.006 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C#N)C1 1286547003 MCPHDTOEIHWGIC-SZMVWBNQSA-N 416.526 1.906 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nncn1C 1286767357 PSARZFYVJQOMGO-UHFFFAOYSA-N 411.466 1.532 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286817791 XZIIDZPKFKZBQU-MRXNPFEDSA-N 418.523 1.046 30 10 HDEE CCc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1292950191 OHTHFKQIROPLTA-JSKCELRFSA-N 400.483 1.230 30 10 HDEE N#Cc1c(F)cc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1F 1293889897 DSSHHHVPGSGUOE-UHFFFAOYSA-N 414.416 1.425 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)C(=O)OC 1297029034 BDKORWCIXPHDAR-LJQANCHMSA-N 402.491 1.718 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1299109507 DSELVEUXDUPIRW-UHFFFAOYSA-N 418.505 1.869 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1300275928 CKUVZCSRMIEWKR-UKRRQHHQSA-N 413.478 1.707 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)N1CCN(c2ccccn2)CC1 1300395884 GMPXGMYFJUDFIU-UHFFFAOYSA-N 414.506 1.314 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1300475736 RIQMFIQFRUVDBO-JOCHJYFZSA-N 409.490 1.946 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cccs1)[C@H]1CCS(=O)(=O)C1 1300495077 CLDNQNAZRLIRLF-CVEARBPZSA-N 420.560 1.909 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCC)[C@@H]1CCS(=O)(=O)C1 1300499563 UUAJFOXGOFNQIL-QGZVFWFLSA-N 402.520 1.914 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1300519839 CAOWCRDHIGTVSV-UHFFFAOYSA-N 400.442 1.569 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1300535158 IGNHUMKFLUZMNS-FQEVSTJZSA-N 403.486 1.927 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN2CCCO)CC1 1300693111 SXOUYPMLHJNACP-OAQYLSRUSA-N 408.550 1.547 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1300776883 ODDVTXZSNJOLAS-QGZVFWFLSA-N 404.540 1.591 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2noc3c2CCCC3)CC1 1301065162 AJYXFVKOYQRWSC-AWEZNQCLSA-N 420.539 1.960 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(NC(C)=O)nc2)CC1 1301091593 KMRFMZWQWYYUEP-UHFFFAOYSA-N 409.494 1.959 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301454128 MEWSVKJYZKOBBY-UHFFFAOYSA-N 422.511 1.052 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301492178 ZMYKCSLENMXJSQ-LJQANCHMSA-N 424.549 1.857 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCO)CCc2ccccc2)n1Cc1ccc(C#N)o1 1303347301 NTIHJFMTARZXTC-UHFFFAOYSA-N 422.489 1.971 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1314405786 UXQGVPYULRVKNW-KRWDZBQOSA-N 408.466 1.685 30 10 HDEE CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cccc(C#N)c1 1314534151 FHVYURZFKKPUIX-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE COCCN1C[C@@H](Cn2c(C)nnc2N2C[C@@H](C#N)[C@H](c3ccccc3)C2)CC1=O 1316118726 SAPIMOYXUYTYJE-SXLOBPIMSA-N 408.506 1.825 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncn(Cc3cccnc3)n2)ccc1F 1324986587 HXBDUDAQKQLWLC-UHFFFAOYSA-N 416.438 1.577 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)c1 1356235847 YKWXXPNKRCWESA-UHFFFAOYSA-N 406.364 1.711 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)s1)[C@H]1CCS(=O)(=O)C1 1358967024 BNXIDAPEKHJEHI-HNNXBMFYSA-N 408.549 1.860 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCCC)CC1 1359177741 ZSYSLXZBUKWWBT-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359221211 USOFQNYUDJNYNN-OXJNMPFZSA-N 404.515 1.452 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ncnn1-c1ccccc1 1359280034 BPQQJSUMYXHYEE-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1359330452 RZUQYEPKAWHBGD-CVEARBPZSA-N 423.539 1.125 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1Cc1ccc(O)cc1 1360665321 CTCQKJNHCWTNLP-AWEZNQCLSA-N 418.523 1.772 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1360784549 HBDJVTRZHPFWAL-DNVCBOLYSA-N 420.539 1.184 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)nn1 1436929578 CWDFBCQMNPQCNR-QGZVFWFLSA-N 401.492 1.694 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1438859328 YVCFETLCKBNFCT-INIZCTEOSA-N 403.433 1.960 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc(Cc4ccccc4F)s3)C[C@H]1CS(=O)(=O)C2 1439796965 PPGNIGCTTRZGMD-SCLBCKFNSA-N 405.476 1.883 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1 1441894921 RCQDKECUHFAIMA-YMNYDYPGSA-N 419.507 1.685 30 10 HDEE COCCCN(C)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1444998657 MDYOEIFWFXEPKN-BQIYRTECSA-N 408.543 1.858 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)C1 1452248390 NZZAVIPVLMOBGJ-GOSISDBHSA-N 420.263 1.702 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1455702345 GVJMJYMZWZETOE-DEXQXJORSA-N 411.568 1.348 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCc1ncon1 1456201995 CDGKZCKOCMFADB-CQSZACIVSA-N 405.480 1.368 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(S(=O)(=O)NC2CC2)cc1 1459767606 GCFNAYLOQUUONN-OAHLLOKOSA-N 412.519 1.500 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)C1CCOCC1 1460409552 KUZNBNKVQBAPSP-LEWJYISDSA-N 418.513 1.566 30 10 HDEE Cc1cc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n(-c2ccccc2F)n1 1460838214 WKJNACPESWPPKQ-LIRRHRJNSA-N 417.466 1.129 30 10 HDEE CS(=O)(=O)N1CC(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1 1464399428 LTINMYIMQUGUEO-UHFFFAOYSA-N 409.518 1.532 30 10 HDEE C#CCOc1cccc(NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)c1 1465628805 XOKOPRUDJQMAFG-UHFFFAOYSA-N 408.458 1.595 30 10 HDEE CN(C(=O)Nc1ccc(C#N)c(Br)c1)[C@@H]1CCN(S(C)(=O)=O)C1 1466496896 GDKFKKZJSSMGBR-GFCCVEGCSA-N 401.286 1.818 30 10 HDEE C[C@@H](CC(=O)NCC(C)(C)c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 1468171321 BKCYALRUJWEONA-AWEZNQCLSA-N 400.504 1.993 30 10 HDEE COc1cc(CNC(=O)NCCn2cc(Br)ccc2=O)ccc1C#N 1470084071 WDGGPJUGGIRODG-UHFFFAOYSA-N 405.252 1.990 30 10 HDEE C[C@H](CC(=O)NCC(C)(C)[C@]1(O)CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1470426383 FQGBWRDDIVGDFZ-VLIAUNLRSA-N 423.535 1.188 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(Nc3ccccc3C#N)CC2)cc1 1470610784 JENJRSBIHCSYLD-UHFFFAOYSA-N 423.498 1.811 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC#N)C(F)(F)F 1471960801 XLIRNJPHJWWOEC-UWVGGRQHSA-N 401.407 1.275 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)C1 1472908203 SZXHGGRNIQMFBC-IIBYNOLFSA-N 414.462 1.961 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@](CO)(C(F)(F)F)C3)C2=O)cc1 1478568706 QPSZYTDBUSIUAX-QAPCUYQASA-N 410.396 1.615 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCc3cnc4n3CCOC4)CC2)c1 1479538369 KTBWMKWSSWVBJX-UHFFFAOYSA-N 408.462 1.845 30 10 HDEE C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493950106 IKXOTTMQOWQTJR-NFSBEEMKSA-N 400.483 1.892 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCc1ccncc1 1503634812 FSSSWDJWWZSOLI-UHFFFAOYSA-N 410.503 1.935 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(O)CCO[C@@H]2C)c1 1504338430 FILRAKJVIWETJF-UAOJZALGSA-N 401.442 1.936 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1504473619 HOIQQZRUVBKSKS-BRWVUGGUSA-N 407.540 1.735 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC1(C(N)=O)CCOCC1 1504955276 QCOGCWRDXYFYSS-OAHLLOKOSA-N 420.514 1.024 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CCO1 1505321912 GANWICMBJBIHJI-WBVHZDCISA-N 411.466 1.440 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507591394 KEHYYLRPARXISO-KRWDZBQOSA-N 409.556 1.841 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507636655 CJERQVXWINEOFK-IAGOWNOFSA-N 410.540 1.401 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCC 1507653462 XTGGRMLAFRJQCB-QGZVFWFLSA-N 417.510 1.696 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1507750136 JWKLXJCVFXKVDQ-INIZCTEOSA-N 413.551 1.987 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507967895 NZTMKPYBSBAUAT-UHFFFAOYSA-N 416.526 1.066 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(CC)(CC)OC 1507983643 QWMVBMHNCZNGNF-OAHLLOKOSA-N 415.560 1.438 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507985470 FJUSEGQZHYBMKR-IBGZPJMESA-N 406.508 1.337 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@@H]2C)CCOC1 1509793445 XIGJTQAEZIJCCK-LVCYWYKZSA-N 420.558 1.778 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1509963861 HHFBWJMXZKIFHF-JLCFBVMHSA-N 421.505 1.528 30 10 HDEE CCc1cnc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)s1 1513721609 PDXOOEAOGHQSRU-ZQIUZPCESA-N 418.523 1.798 30 10 HDEE C#C[C@@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCOCC1 1532933958 HDUJZRHLPWZKKJ-OAHLLOKOSA-N 404.264 1.704 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1 1537192233 JUDHBKRLZAQYGJ-OCCSQVGLSA-N 405.398 1.576 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ccn(C)n1 1539002838 IHPNGOVSLJPVKO-HNNXBMFYSA-N 416.489 1.915 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(O)(CCC)CCC)CC1 1539428679 VOLIKGSXCBYUTM-UHFFFAOYSA-N 416.570 1.601 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccn(C)n2)CC1 1539475678 LVUYFYRJTZKORB-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539513892 SFWSDZCYKLQDIX-GOSISDBHSA-N 420.564 1.060 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539831577 JXLMLRPAHROOFB-VQIMIIECSA-N 410.540 1.521 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)c1nccs1 1540150440 MCMPVOIQQMKCEE-UHFFFAOYSA-N 418.544 1.570 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1540857940 WZUCOGUZQSFPBQ-ROUUACIJSA-N 416.570 1.927 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@H](C)[C@H]1C 1540874457 HKAKCUJXQDXCER-HZPDHXFCSA-N 403.556 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)CC1 1540907793 IQZNWEGUDIDMMM-IRXDYDNUSA-N 412.556 1.839 30 10 HDEE COc1cc(OC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)ccc1C#N 1543445812 DKKLDPPXZPUVJX-UHFFFAOYSA-N 423.468 1.604 30 10 HDEE CC[C@@H](C)c1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545605064 GOQWFHDOSOUZSZ-SJDVGCGOSA-N 402.499 1.525 30 10 HDEE C[Si](C)(C)c1ccc(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1556596053 YSZMVAIQKFSUAP-UHFFFAOYSA-N 401.564 1.698 30 10 HDEE C#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1556832801 IXWUFYUYTTYZAP-DLBZAZTESA-N 418.494 1.856 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)cc1 1557697683 DMHPJWMDMSSTGV-INIZCTEOSA-N 414.443 1.284 30 10 HDEE Cc1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1C(C)C 1558805426 MHHGFQABEHTXIF-UHFFFAOYSA-N 419.445 1.530 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 1564416896 GUHMJSCBVIBRBQ-KDOFPFPSSA-N 401.529 1.676 30 10 HDEE COc1ccc([C@H](OC)[C@@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1564448890 ZUSIZNZDPBTQOR-PBYMTVQHSA-N 407.492 1.351 30 10 HDEE CC(C)C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1564960638 YHGLUWUWGMWDNH-VCBZYWHSSA-N 413.540 1.570 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1566155518 USXRIBQLIQLKFG-CYBMUJFWSA-N 419.388 1.207 30 10 HDEE CC(C)(C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1)C(N)=O 1569288981 OSXNAUHRKQFUAR-OAHLLOKOSA-N 420.535 1.632 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](C3CCOCC3)C3(CO)CCC3)CC2=O)cc1 1570798162 VJUBKXBFXDCUIX-WIYYLYMNSA-N 411.502 1.985 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1583661974 RPGPDDIVKJFGGD-PKOBYXMFSA-N 406.504 1.323 30 10 HDEE Cc1nn(C)c(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1585833218 YURLZJFSHYYXLH-UHFFFAOYSA-N 402.208 1.597 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1587414798 VCKCURZTDAYIPN-QAPCUYQASA-N 420.535 1.699 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1587855738 AQMLWNKBVRQDHC-GOSISDBHSA-N 400.527 1.923 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1CCN(C(=O)OC)CC1 1587921659 FEDNYMMSNDMYSH-NRFANRHFSA-N 419.526 1.867 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1588053510 FHUAMVWKYMXVFH-IAGOWNOFSA-N 419.507 1.491 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1588138764 IUVFTUBMEORLND-INIZCTEOSA-N 408.449 1.686 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CSCCS1 1588559734 JSENSYDXBGCLHY-HNNXBMFYSA-N 409.581 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1c(CC)noc1C 1588560138 NUGMLVLXRROULE-UHFFFAOYSA-N 400.483 1.507 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1589060186 ODFMUJWAOCOWOE-FUHWJXTLSA-N 416.595 1.906 30 10 HDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)(=O)CC1 1593712181 UPSFANKSQATFTC-UHFFFAOYSA-N 421.479 1.681 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NC)CC1 1594182322 YITBJCRPHNRHKI-CYBMUJFWSA-N 412.560 1.063 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1595552004 ZIIKOYJRIAAHJK-KRWDZBQOSA-N 412.542 1.674 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595569984 SQIMFNPYJDODJA-LJQANCHMSA-N 410.522 1.470 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccn(C)n2)C1 1595754890 QYZQLZJIGGIXDZ-SZMVWBNQSA-N 402.499 1.565 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1595845339 SAUGTEFRZIOZFX-HZSPNIEDSA-N 403.574 1.421 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1602996683 PSPYTNSBZBEWFP-NWPKHEMWSA-N 401.529 1.285 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1611304242 YBNBLGFTCCDIKI-CYBMUJFWSA-N 402.455 1.286 30 10 HDEE CC[C@@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1613170772 OQZIDXCIDTVYQP-UFOSLELVSA-N 412.498 1.688 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1614470817 VCBHSDQWUKYQIO-VQIMIIECSA-N 424.571 1.931 30 10 HDEE N#Cc1cccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NCc4ccccc4)[C@@H]32)c1 1616175292 SSKQLJOSPMSUGJ-SWBPCFCJSA-N 422.510 1.048 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C)[C@@H]1CCCc2ccccc21 1617565973 DQBGMBZAANLCIH-LJQANCHMSA-N 402.454 1.785 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1617688940 BBKMURXZPJLIGI-UHFFFAOYSA-N 401.507 1.625 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1617795218 CKMNSXGOINGKKW-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1623969892 VUSRNCSTDLIGHT-XXBNENTESA-N 411.502 1.830 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1624564853 CXGRWLWIILFINY-GOSISDBHSA-N 424.816 1.161 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC(F)(F)F)cc1)c1cc[nH]n1 1624756875 UEMBDNONVOJQTK-UHFFFAOYSA-N 414.340 1.909 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)nc(O)n3CC2CC2)CC1 1628146535 JYNWXAPKAHECBZ-UHFFFAOYSA-N 409.490 1.049 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1629625170 WXDGEQFPTYEKAL-WMZOPIPTSA-N 401.492 1.098 30 10 HDEE N#C[C@H](CO)NC(=O)c1c(I)ccc(Br)c1F 1635480394 CZXLTZSWANWYKE-RXMQYKEDSA-N 412.984 1.807 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OC 1638401073 GEBVVMOFPKBSKN-HUUCEWRRSA-N 411.499 1.468 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC[C@](CO)(NC(=O)OC(C)(C)C)C1 1639775305 JRTQDMITKGXMIX-NRFANRHFSA-N 419.478 1.824 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCc1nc(C#N)cs1 1645702402 CQNMUCDRDXKJNA-HNNXBMFYSA-N 409.512 1.687 30 10 HDEE COc1c(F)cc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(OC)c1F 1651026351 HEJWZRXUFUHGKM-UHFFFAOYSA-N 411.386 1.771 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)CC1 1652173217 ONFNORPUGZKGDY-UHFFFAOYSA-N 413.478 1.091 30 10 HDEE COC1(C(F)(F)F)CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1652684117 MCKKHEVVVIGFMO-CYBMUJFWSA-N 410.352 1.553 30 10 HDEE CCO[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C 1654129490 AFFXHUJPFFSHHK-KZNAEPCWSA-N 411.543 1.919 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1668231538 PVWZCUCPCSSFEQ-ZWKOTPCHSA-N 400.527 1.949 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CCN1CC(C)(C)O 1668625542 DKNMLSUQGXQWES-GFCCVEGCSA-N 416.341 1.786 30 10 HDEE CS(=O)(=O)c1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1F 1670053407 AFAKGSSBFZCLFS-UHFFFAOYSA-N 403.439 1.850 30 10 HDEE C=CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)CC1 1673070612 JDOWCYUBCUKKLI-UHFFFAOYSA-N 414.553 1.875 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)OC)c2)nn1 1674821591 VJNZUVWNTZUVNV-UHFFFAOYSA-N 414.875 1.621 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)NCc2ccc(SC)c(C#N)c2)CC1 1676035031 BPCFOCAAFLNLNA-UHFFFAOYSA-N 418.519 1.881 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)NCC#CCN(C)C)C2)cc1 1676930461 QPKOEVJTHBHIAP-GOSISDBHSA-N 406.552 1.260 30 10 HDEE COCCCC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1682309886 SAUPVUBVTRFPSK-SFHVURJKSA-N 411.462 1.945 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21)[C@H]1CCS(=O)(=O)C1 1684847638 LQYANPVFXLYJPE-XAUMDUMWSA-N 404.488 1.501 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1689847576 CIHFRVIVVITTCK-AWEZNQCLSA-N 417.477 1.310 30 10 HDEE C#CCCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1689903902 CNHJFCYJBGYERT-SFHVURJKSA-N 415.469 1.751 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1690086301 YXUDGLLGVIDZON-HNNXBMFYSA-N 414.441 1.444 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(C)n2)CC1 1690130960 QEEPZROMTPDYKW-UHFFFAOYSA-N 421.549 1.492 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2Cc2occc2C)CC1 1690132372 PCAGJJCABRKCEU-UHFFFAOYSA-N 424.530 1.975 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690174330 BLSMXRVJDCSOHQ-RTBURBONSA-N 418.611 1.365 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1690548449 BFJSDQKTQDJGAP-SFHVURJKSA-N 415.586 1.581 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCCC2(CCOCC2)C1 1690673833 GMUMBOXLKBHAMF-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1690699504 GBPHZIFGEIHMHQ-MSOLQXFVSA-N 421.567 1.223 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1698222647 RCZJGQRGVTVBAN-UHFFFAOYSA-N 410.478 1.291 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCOC3)n1CCCCCO)C2 1698486438 YFXAHJVCJGHGCN-HNNXBMFYSA-N 412.494 1.870 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(C(N)=O)nc2)CCO1 1698492406 CFIWIPBCIODZSY-CQSZACIVSA-N 424.852 1.264 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(C)n(C)c2=O)c1 1705507339 YJJKXKFLGPKQLC-UHFFFAOYSA-N 418.501 1.952 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC2CC2)c1 1705508235 RUGARXKUTZGHOF-UHFFFAOYSA-N 406.490 1.867 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1705571363 YXHBCNAESKAABD-QGZVFWFLSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(O)(CC)CC 1705580288 GPVWLPJSXNDUKN-UHFFFAOYSA-N 418.501 1.816 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2scnc2C)CC1 1705631437 FCNHGBCPTGICBK-UHFFFAOYSA-N 413.551 1.277 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2snnc2C)CC1 1705643890 DBAFYTPWPQQJHR-CYBMUJFWSA-N 401.540 1.966 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705903593 YLDPSFYABNRMIN-MRXNPFEDSA-N 418.542 1.169 30 10 HDEE COCC1(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1712189696 DDQQAURQIGVHFB-INIZCTEOSA-N 402.499 1.450 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1712875892 SKNDWEAPSJNPFF-PMUMKWKESA-N 406.849 1.975 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NCC=C 1722277502 IOVAQSVQPJGRJV-GFCCVEGCSA-N 405.300 1.806 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722295000 ZJUXHAUPYWOISF-YJBOKZPZSA-N 418.505 1.933 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722314219 KABWJZAKEJZOCG-HNNXBMFYSA-N 403.512 1.057 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1722365736 FCSHZVMSXUVNOC-KRWDZBQOSA-N 402.524 1.149 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1([S@@](C)=O)CC1 1722386161 QXHFIWZHXQLVDP-GDLZYMKVSA-N 412.515 1.850 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1722458564 NFLNUBKTDJPOKV-ZDUSSCGKSA-N 400.464 1.101 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1722542439 AZVQHQTXYRMXGO-AWEZNQCLSA-N 408.934 1.815 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1722632077 GTDGTSMLCUHEGV-UHFFFAOYSA-N 403.306 1.207 30 10 HDEE CC1=CCCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1724861162 JZAPKAWIDXMYBL-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE CC[C@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1726805762 FOLHHCCNISMIOS-FQEVSTJZSA-N 408.466 1.375 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1727800465 GTLDBYWRPHBAQJ-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1)OC 1730466032 JQGUVYVKTLBWPI-JLTOFOAXSA-N 416.482 1.797 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 1730842732 PEKNZOQBPIFLKP-XJKCOSOUSA-N 403.405 1.868 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1740566283 FRUUPVKOUZJRDP-APWZRJJASA-N 409.556 1.699 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1740579317 MSNBKHYHQIIINN-MSOLQXFVSA-N 402.543 1.377 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC 1740629987 CLXRQEVQQOWYTN-UHFFFAOYSA-N 415.519 1.305 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1740690446 VCDUIRKSYHFAEG-GOSISDBHSA-N 410.570 1.733 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccco2)CC1 1740697976 KYDIEGSYXQODOB-JOCHJYFZSA-N 406.490 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccnc2OC)CC1 1740704167 JFDOIMOIQXPQJY-UHFFFAOYSA-N 419.489 1.691 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(CC(N)=O)CC1 1740763025 XHRXUZPBYZPVOF-LMMKCTJWSA-N 403.527 1.855 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1740818868 XDISAZZJLVKCEC-AWEZNQCLSA-N 424.465 1.070 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1740954773 GKEXVFALDKPMQK-ZWKOTPCHSA-N 419.489 1.366 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)CC 1740959547 ZFMFXLDIBQOZHD-OAHLLOKOSA-N 423.521 1.977 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741725919 QVMLYWWGUOQBKM-JLTOFOAXSA-N 414.466 1.143 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1748640388 UKJDIGJBDUUHOQ-HZPDHXFCSA-N 410.588 1.468 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@]23CCC[C@]2(COC3)C1 1748698412 GVIHMSYALFMQFP-PWIZWCRZSA-N 421.567 1.699 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1Cc1nnn(C)n1 1748968578 HFVIBFJDCMUOAW-UHFFFAOYSA-N 410.482 1.132 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OC(F)F)c2)CC1 1749001268 OOOMAFKZWZPYSY-MRXNPFEDSA-N 418.448 1.930 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CC2)CC1 1749010041 ZUTLQUUXSWCURX-UHFFFAOYSA-N 411.535 1.597 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2([S@@](C)=O)CC2)CC1 1749015426 VPAHEVFJQZYXTE-GDLZYMKVSA-N 419.595 1.744 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1749019969 HHERDBBSNXTCSW-QWHCGFSZSA-N 419.473 1.939 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1749226465 QHVBNOAARGYNKL-IRXDYDNUSA-N 413.526 1.939 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(F)(F)F)C1 1749678069 VAKZEKYHMDTLFL-ZDUSSCGKSA-N 414.432 1.481 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@H]1CCC2(C1)OCCO2 1749831116 WEQYDPULDHYFGO-IRXDYDNUSA-N 405.499 1.692 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C3CCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1751276585 CNGCKTLXOCQANC-BEFAXECRSA-N 406.556 1.957 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1760115792 BOHHIWSGXJNYLH-WBVHZDCISA-N 401.536 1.752 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1760155254 UQQVCIZEQXAHPO-INIZCTEOSA-N 421.567 1.288 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760188420 PCDZEKWQUGQOLI-MRXNPFEDSA-N 418.523 1.497 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nccc(OC)n2)CC1 1760286593 PCMCWPLNQKWKCL-UHFFFAOYSA-N 417.539 1.306 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1760464680 MMCUDMNWDZRGIW-CQSZACIVSA-N 403.574 1.376 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1760523943 LKTMIBNNFGNVSH-QZTJIDSGSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760527046 LYTZKKIXQYRWCP-MSOLQXFVSA-N 412.542 1.115 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnn(C)n2)C1 1760537977 VDRMQYCNDQXNCL-CYBMUJFWSA-N 401.862 1.347 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1761432723 DOTRVKNCPVZOBL-MRXNPFEDSA-N 403.531 1.125 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)cs1 1762296511 LNMDCELGLXTLKJ-CXAGYDPISA-N 401.540 1.845 30 10 HDEE CCC[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763940559 CLOZFMBUVSQPJU-QFPXGYFVSA-N 402.499 1.933 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1764554092 AIJFAPOBJHOWGC-MRXNPFEDSA-N 412.494 1.870 30 10 HDEE CCCNC(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1766229031 BSUCDPAGFHFBSB-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1766690063 QNVGYUFDSFDKRR-MSOLQXFVSA-N 406.531 1.607 30 10 HDEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CCC(N)=O)CC1 1767534086 FKOLSJGCOJEEPH-UHFFFAOYSA-N 419.493 1.475 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1cc[nH]n1 1768633300 DVQSXYAQTLAMLQ-KRWDZBQOSA-N 420.477 1.443 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(C)=O 1770446945 UJEJKDABQMTEIX-HXUWFJFHSA-N 400.458 1.846 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1770727179 CTZJWTODLJRPBF-KBXCAEBGSA-N 404.471 1.607 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC[C@@H]1OC 1771281684 QFBASLFOXMCGAH-FPSMNIFISA-N 407.515 1.649 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1COCCO1 1771543369 CUZWPKZNEBYXAR-IRXDYDNUSA-N 423.539 1.116 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1849737058 BKGKPJNHBKDLGN-UHFFFAOYSA-N 416.481 1.931 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(C(=O)c3cc4n(n3)CCCC4)CC1)OCO2 1853390838 KLXRVCDVLLTXMT-UHFFFAOYSA-N 421.457 1.347 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1854786352 XUPRISSEVPOAPT-GFCCVEGCSA-N 417.409 1.442 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)c1 1856211882 IHHOZKBZVQYXCV-MRXNPFEDSA-N 405.476 1.965 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)c3ccc(N4CCCCC4)nn3)C1=O)CC2 1856556968 QHDVQESCRTXQJP-WMZOPIPTSA-N 408.506 1.834 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(S(=O)(=O)CCC)c3ccccc32)CC1=O 1856876865 IMGPMPGCHSHPKS-HNNXBMFYSA-N 419.503 1.531 30 10 HDEE Cc1ccccc1CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857027494 ZNTNNXILIJIYLP-IBGZPJMESA-N 417.531 1.868 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cccc(Cl)n2)C1)[C@H]1CCN(C)C1=O 1857068205 MFKZCEYHELFJDV-HOCLYGCPSA-N 404.898 1.833 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(CCC)on2)C1)[C@@H]1CCN(C)C1=O 1857069366 XXBJAEDNEOLMDH-CRAIPNDOSA-N 402.495 1.725 30 10 HDEE CCOc1ccccc1C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112120 RKYRQERIJMIYKL-SFHVURJKSA-N 406.442 1.856 30 10 HDEE Cc1ccccc1OCC(=O)N1CC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857114695 SGCIVNMIUNIAFV-GOSISDBHSA-N 406.442 1.531 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)CC1 1857172168 IBQKHHIDCMWHSF-UHFFFAOYSA-N 412.490 1.986 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)CCCS(=O)(=O)Cc3ccccc3)C2=O)CC1 1857306188 NZPJEWVXHHQZCX-LJQANCHMSA-N 417.531 1.745 30 10 HDEE CC(=O)N(C1CC1)C1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1857440326 GPLROKZZCXYKKS-INIZCTEOSA-N 409.490 1.417 30 10 HDEE COc1ccc(C2=C(Nc3cccc(C#N)c3)C(=O)N(CCCNC=O)C2=O)cc1 1863330905 APOKRFBMFPKAJG-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE COc1ccccc1C1=C(Nc2ccccc2C#N)C(=O)N(CCCNC=O)C1=O 1863436597 KTXHDZSZTOIBSV-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE N#CCc1[nH]nc(NC(=O)CCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C#N 1866026695 XEOKGWRHQZDBQI-UHFFFAOYSA-N 407.346 1.271 30 10 HDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871644204 PQHWWGWZPWSAHC-UHFFFAOYSA-N 412.498 1.804 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889240821 RTGKLTKCQOCDPB-UHFFFAOYSA-N 401.555 1.379 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCSCC3)C2)cs1 1890703967 BMGKGWLMXJSKMX-CYBMUJFWSA-N 408.549 1.487 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 1893841523 IVGXNFVRPGLYBU-QGZVFWFLSA-N 406.504 1.586 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)S(=O)(=O)CCC#N)C1 1957294946 XWXCGITYXZDWOZ-UHFFFAOYSA-N 409.508 1.714 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985097314 DLRRWKOONSLCLC-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985859934 XZXRJDDAEZAAKI-QGZVFWFLSA-N 406.332 1.961 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(C#N)cc1Br 2060791322 AKTPLQKQSWLVDW-UHFFFAOYSA-N 411.256 1.900 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N[C@@]1(C(=O)O)CC[C@@H](CNC(=O)OC(C)(C)C)C1 2166296322 PMRANQPBHSYMPM-PXAZEXFGSA-N 403.501 1.604 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)CCOCC1 2174784209 LPTSUYLRJNDHOU-AWEZNQCLSA-N 402.517 1.130 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)CCCN1C(=O)OC(C)(C)C 2233087794 QJWWBEQPYMLNQY-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2247830012 WTWFPFGCZUHHTG-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247913796 ATDWEZSJQGORKV-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247934045 WOJDMZHUDRHKHW-INIZCTEOSA-N 422.331 1.842 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(F)CC(N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315968 VWJOTZCQTLXAKE-UHFFFAOYSA-N 404.338 1.463 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320456 IUJKSHGBZPQCBK-XELLLNAOSA-N 419.399 1.497 30 10 HDEE CN(C)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282330841 GBVPPZMXCDIDPN-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CN1C 2282333182 LHXGVMZKXYKWOO-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE C[C@@H]1CNC(C)(C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335652 SHCFUJDXVYQEFB-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)CNC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282340236 CTNNAJQQXLIJAW-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCC[C@@H]3CCCN3)c2)OC1(C)C 2282345297 OKLNKCHFTGZJOK-AWEZNQCLSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@@H](O)C2)OC1(C)C 2282496234 XOHJFRWLHQJFKZ-NWDGAFQWSA-N 401.721 1.831 30 10 HDEE CN([C@H]1CCC[C@H]1O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499168 NDPWISMXYBOAHR-UONOGXRCSA-N 401.359 1.722 30 10 HDEE C[C@H]1SCCC[C@H]1NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503328 YLWIFRTVLMEENV-DGCLKSJQSA-N 401.363 1.282 30 10 HDEE C[C@H](CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(N)(=O)=O 2282574598 QTSSCWSNNBQKML-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282602643 VYPKBEQEZKLUPL-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE CCN[C@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282845490 UMQDLVVJNMOELB-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE CC[S@](=O)(=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C)C(C)C 2282858099 RSRWOXSPAVAHCL-RUZDIDTESA-N 405.351 1.304 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@H]3CO)c(Cl)c2)OC1(C)C 2282866688 NLGJUSQMHPAYNH-TVQRCGJNSA-N 422.139 1.952 30 10 HDEE C[C@H]1C[C@H](CN)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882003 GBMVEHGLYKSDAD-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)F 2284411183 HMKYZWXXNMVRBR-PRHODGIISA-N 407.294 1.445 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284411848 PBDBWFMXBVRKQG-UHFFFAOYSA-N 423.749 1.657 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@](C)(CO)NC(=O)OC(C)(C)C)[nH]1 2300129663 NHYJNRVEFGVUAZ-NRFANRHFSA-N 421.347 1.799 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N2CCC[C@H](C(=O)O)C2)cc1 2323177758 NJOGJEUFSBBMFN-KRWDZBQOSA-N 416.474 1.839 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@@H](O)c1cn(C)nc1I 2361290226 KPTKGMBEMASLPD-NEPJUHHUSA-N 405.305 1.935 30 10 HDEE Cc1csc(C#C[C@H](N)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n1 2363698852 GGJCPYMJULTLCG-KBPBESRZSA-N 413.565 1.943 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)(C#CC(C)(C)S(C)(=O)=O)C[C@]12CCCOC2 2365185044 HCBAIHDLVNLWSQ-RBUKOAKNSA-N 401.525 1.734 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1)C(=O)O 2370294154 IHMRLYSUUDLXIF-RDBSUJKOSA-N 400.412 1.827 30 10 HDEE C=CCNC(=O)/C(C#N)=c1\s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1CC=C 3360427 YOQLCTQXPIZKHC-YYASDEIUSA-N 417.437 1.502 30 10 HDEE Cc1nc2c(c(C)c1CCC(=O)Nc1ccc(CC#N)cc1)c(=O)n(C)c(=O)n2C 6772905 IWPAXCPCVRCEFE-UHFFFAOYSA-N 405.458 1.886 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)[C@@H]1C[C@@H](O)CN1C(=O)C12CC3CC(CC(C3)C1)C2 21620468 AXMHTFZFWXITQJ-PNSLFHGPSA-N 404.507 1.399 30 10 HDEE CCOC(=O)COc1c(Br)cc(C=Nn2nnnc2N)cc1OCC 252594878 BWOHSMLDSLGXLG-UHFFFAOYSA-N 413.232 1.241 30 10 HDEE Cn1ncc(Cl)c1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 405100102 GXVJLROAHWJHFK-UHFFFAOYSA-N 404.710 1.630 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CC[C@H](C(=O)NCC(F)(F)F)C2)cn1 429532879 FCXKJAYQLURFMI-LBPRGKRZSA-N 407.356 1.671 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 436597845 RKWKDTLCRSFNKO-GOSISDBHSA-N 413.478 1.610 30 10 HDEE O=C(CN1CCN(CC#Cc2ccc(OC(F)(F)F)cc2)CC1)N1CCOCC1 448204170 MQUBRLUOVIXSOB-UHFFFAOYSA-N 411.424 1.413 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 462410445 ADHZPQLVBBNBPM-UHFFFAOYSA-N 421.500 1.455 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 471569026 FDILMRCOEDPZMO-MRXNPFEDSA-N 402.476 1.284 30 10 HDEE CCn1nccc1CN(CCO)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 474672860 AUXGJOAYNMPTOK-LJQANCHMSA-N 410.478 1.080 30 10 HDEE CCn1c(CNc2c(C#N)c(=O)n(C)c(=O)n2C)nc2cc(Br)ccc21 478132486 JIXPAHKYLNTKCO-UHFFFAOYSA-N 417.267 1.700 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ncccc2C#N)CC1 480000719 GEMKHQRIJAPLNS-INIZCTEOSA-N 417.473 1.583 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCSC[C@@H]2CCO)c(C#N)cn1CCOC 481418423 YELNEROEXZPVEI-AWEZNQCLSA-N 410.496 1.515 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N(C)[C@@H](COC)C(N)=O 500239335 SWDYQLPAQCSTSX-LBPRGKRZSA-N 414.256 1.057 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1OC 505039527 PBRJJHRNLSGITO-UHFFFAOYSA-N 408.480 1.548 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 505583408 BLRDOJMWRFNVPB-GOSISDBHSA-N 412.534 1.899 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(OC)ncn2)CC1 508705387 IWEOLQJDNCEPOM-OAHLLOKOSA-N 403.487 1.313 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1 517869431 GGSUPIANFBMUGN-MRXNPFEDSA-N 419.478 1.364 30 10 HDEE Cc1nc([N+](=O)[O-])cn1CC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 522210222 YHKHKVQYTQKYJY-AWEZNQCLSA-N 400.420 1.512 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)ccc1F 536248592 MCQAHJFGXQUWDW-JXFKEZNVSA-N 403.479 1.859 30 10 HDEE CCC(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 540549380 MEJCAPVARAICCO-UXHICEINSA-N 415.513 1.525 30 10 HDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)c1 541665064 ICTFQKAEJHTRGZ-FQEVSTJZSA-N 420.469 1.619 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ccncc3C#N)CC2)cc1 548152072 SNTQSOQTUOUXHO-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2cccc(F)c2C#N)CC3)CC1 550091908 IAFOLZDZDRSATB-HNNXBMFYSA-N 424.480 1.274 30 10 HDEE COCCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 566048816 VLLZQGQYFDKWPD-JENIJYKNSA-N 401.511 1.640 30 10 HDEE N#Cc1cccnc1OC1CN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 585245784 DRFBMEMUSWFRPC-CYBMUJFWSA-N 409.471 1.325 30 10 HDEE C#CCN(c1ccc2c(c1)OCC(=O)N2C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 586231047 JHWKDKWKESOBRA-UHFFFAOYSA-N 401.400 1.779 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)s2)c(=O)n1C[C@H]1CCCO1 590915894 AAXIDIAQHISEDL-SNVBAGLBSA-N 409.920 1.053 30 10 HDEE Cc1cc(N2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)n2ncnc2n1 609100712 CDZQUIWDIZBNKP-LJQANCHMSA-N 416.489 1.622 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)NCCSCc2ccccc2C#N)C1=O 610591936 APNABBBYSOWFTI-UZLBHIALSA-N 415.519 1.811 30 10 HDEE CC(C)c1ccc2[nH]cc(C#N)c(=NCCN3CCN(S(C)(=O)=O)CC3)c2c1 618583536 TWAPPBJVAVGBIC-UHFFFAOYSA-N 401.536 1.641 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3Cc4c[nH]nc4C3)nnc12 646347378 KBEYIWPRHMXFQV-UHFFFAOYSA-N 407.459 1.588 30 10 HDEE C=CCOCCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 679630535 VAMMOTQUYRYLGY-UHFFFAOYSA-N 405.879 1.698 30 10 HDEE C#CCN(C(=O)[C@H](C)SCC(=O)Nc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 729331185 KKGKJLWDCKPHHG-BBRMVZONSA-N 412.508 1.535 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 734272378 QUEYQHRWVMRUAT-GOSISDBHSA-N 415.538 1.214 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CN(Cc2ccccc2)Cc2ccccc2)CC1 746215842 RAPYJGRVHXOIAR-UHFFFAOYSA-N 418.541 1.582 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3C(=O)CCCC3=O)cc2)cc1C#N 747494023 ASUNOMYQYQBGJX-UHFFFAOYSA-N 420.425 1.865 30 10 HDEE C[C@H](OC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(=O)N(C)CCC#N 750424181 BPIVYKNEUYUCDO-JTQLQIEISA-N 407.228 1.342 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)c1ccc(C#N)cc1 754512750 BROCCYIBWZERBA-IERDGZPVSA-N 407.382 1.684 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(CC#N)cc3)ncnc1-2 759015253 OJYCKCONTNIALI-UHFFFAOYSA-N 414.267 1.407 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccccc3OC)cc2C1=O 760360005 ZIGJPVLCDDUDFV-UHFFFAOYSA-N 414.439 1.737 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)c1 763783186 PWSSLSNWHIHIFT-WMZOPIPTSA-N 418.471 1.156 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C)cc2)C1 766979512 YKDFDCRTUYKGAF-HNNXBMFYSA-N 413.455 1.733 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NCC3CCN(CC#N)CC3)C[C@H](C1)C2=O 768189312 XZBJEMIFRNOIEU-AYHJJNSGSA-N 418.538 1.800 30 10 HDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 771540664 GZQXDWAFNLFWTO-AWEZNQCLSA-N 417.470 1.192 30 10 HDEE C#CCN(C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)[C@H]1CCS(=O)(=O)C1 774195700 KSFCKVLUZGGBLS-XLIONFOSSA-N 419.547 1.239 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@H](O)c3ccc(C#N)cc3)C2=O)c1 780959041 CDTIHSNTMXBLLY-WOJBJXKFSA-N 409.442 1.873 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)CN1CCc2cc(OC)c(OC)cc2C1 786798137 OKHVYINMBMNCLE-OAHLLOKOSA-N 403.479 1.613 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](c2cc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n[nH]2)C1 787349353 YFKXFMZAHMFFPG-ZBFHGGJFSA-N 414.510 1.946 30 10 HDEE Cc1cc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc(C)c1O 787518206 FKMBREWJHJXKBO-UHFFFAOYSA-N 401.488 1.797 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@@]3(CNC(=O)C3)C2)c1 788575396 IDJYPNSPMMYDEL-OSEFQUDUSA-N 419.507 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(NC(=O)N(C)C)cc2)n1 793497685 VQJOQAPCOMOZQZ-UHFFFAOYSA-N 412.494 1.968 30 10 HDEE CCn1nc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C)c2ccccc2c1=O 800763663 SHFKDWCYDFRFNL-OAHLLOKOSA-N 404.478 1.388 30 10 HDEE C[C@H](O)CN(C(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@H](C)CO 807247988 HWDJTJWXQSCXMT-KGLIPLIRSA-N 401.488 1.493 30 10 HDEE C#CC[C@]1(C(=O)OC[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 808596640 NJTMZBJOHVHLKW-HNAYVOBHSA-N 414.524 1.604 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(C)(C)C 811528604 KJWNQPRSDFKVPG-IBGZPJMESA-N 421.563 1.799 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 812180597 YKJUVOKKAJIALX-LSDHHAIUSA-N 420.514 1.474 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)[C@H](C#N)C(=O)NC2CCCC2)C1 917042199 XCRTVAZNNSKKCC-HOCLYGCPSA-N 422.507 1.460 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn(CC(F)F)nc2C)c1 1125419363 ZTVMWVQKQFRYNJ-UHFFFAOYSA-N 416.428 1.944 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 1133394920 WXLYACSYOHHRKY-GXTWGEPZSA-N 405.398 1.718 30 10 HDEE C[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1139811617 QXKPQHFGTSEWPR-HTAPYJJXSA-N 404.426 1.565 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1 1140627472 WNZYYBJGZGMNKA-CQSZACIVSA-N 404.529 1.244 30 10 HDEE O=C([C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cc(Cl)cc(Cl)c1 1161785267 SOPVFQDWOPKGJV-RISCZKNCSA-N 421.302 1.747 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCC#C[Si](C)(C)C)c1 1166056196 BDZJJEBZERJZLC-UHFFFAOYSA-N 409.584 1.054 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1166518320 MFLGZJWKLJSILM-IIDMSEBBSA-N 405.520 1.938 30 10 HDEE C=CC1(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CN(C(=O)OC(C)(C)C)C1 1179655428 FPGTZKGJDPNDRV-IFXJQAMLSA-N 409.508 1.196 30 10 HDEE O=C([C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cccc2ccccc12 1184341381 YXNWKVXKCGZDLY-DLBZAZTESA-N 402.472 1.593 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@H]3C2)n(Cc2ccco2)c1C 1198261028 UHQNPRAMIATDBC-IYBDPMFKSA-N 416.503 1.533 30 10 HDEE C=CCS(=O)(=O)CCNCc1cc2cccnc2n1S(=O)(=O)c1ccccc1 1204938681 SMRLXFCEJDYNOI-UHFFFAOYSA-N 419.528 1.964 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1222306551 FFWGIBSWSZDSHE-IRJFHVNHSA-N 419.547 1.840 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 1230799353 OPUVMTDZOGTFOX-LJQANCHMSA-N 405.520 1.293 30 10 HDEE C[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)C1(S(C)(=O)=O)CC1 1272177659 XDDWYUXWVRNNGL-SNVBAGLBSA-N 401.282 1.781 30 10 HDEE C#C[C@H]1COCCN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1275549499 NQYVHCSXSOQICE-HNNXBMFYSA-N 404.264 1.381 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N[C@H](C)CC)CC1 1286474967 PHKDCNKNUJMHLG-GOSISDBHSA-N 419.533 1.877 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1286785274 IEHOKOZOCRMNRB-NRFANRHFSA-N 422.493 1.128 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286793838 NIJIKLAXXDSTNW-UZLBHIALSA-N 407.515 1.236 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)COCCO2)cs1 1290435604 VPDXNZCXOJENQX-YJBOKZPZSA-N 404.496 1.168 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cnn1CCC#N 1290662755 VMHGSUOOXZUKNQ-UHFFFAOYSA-N 421.910 1.905 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCCO1 1291217600 FCWINANAOFUJMH-INIZCTEOSA-N 410.478 1.291 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCc1nc(C)no1 1293097256 DHHPZRJRSLUEFN-UHFFFAOYSA-N 407.482 1.758 30 10 HDEE CCN(CCCn1c([C@@H]2CCOC2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1295810090 CSBMGJNTZGHERO-MRXNPFEDSA-N 410.544 1.194 30 10 HDEE C#CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)cn1 1297370276 XOOKYJVZLWUCLF-UHFFFAOYSA-N 422.457 1.512 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]([C@H]2CCCO2)C1)C(=O)OC 1299177581 BZIIUZZZMCGJHF-LTIDMASMSA-N 408.495 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(OC)OC)c1 1300506426 SPPAEVYECHZFMO-UHFFFAOYSA-N 421.501 1.927 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC2CCN(CC)CC2)CC1 1300695864 NEODSOZZCNQRAZ-UHFFFAOYSA-N 408.554 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCOCC(=C)C)CC1 1300719738 OGPUERYHSVFZCR-UHFFFAOYSA-N 408.506 1.899 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C(=O)OC)C1 1300767599 AKWYDRDUMKVQRT-INIZCTEOSA-N 402.524 1.505 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C[C@H]1COc2ccccc2O1 1301491742 XEFSGNVUQUQGBE-INIZCTEOSA-N 422.489 1.862 30 10 HDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1302786622 UZSREXIZBDGONG-APWZRJJASA-N 405.376 1.773 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1303629989 ROWUEJSJHZLHPR-ZDUSSCGKSA-N 417.424 1.941 30 10 HDEE CCOc1c(Cl)cc(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OC 1311615552 AOFFZCANRBXUAL-UHFFFAOYSA-N 421.841 1.381 30 10 HDEE CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1313191195 RLXLHBWBVLMDSG-ROUUACIJSA-N 402.495 1.895 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc(N3CCN(C(C)=O)CC3)c([N+](=O)[O-])c2)C1 1320032131 SRWDTHGGYRDCLR-KRWDZBQOSA-N 402.451 1.680 30 10 HDEE C[C@@H](c1nc(CC(=O)Nc2ccc(N3CCOCC3)cc2)no1)n1cnc(C#N)n1 1325518039 ZCLNZFGONPXZJV-ZDUSSCGKSA-N 408.422 1.160 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C(=O)NCc2c(F)cc(F)c(F)c2F)CC1 1340731231 POJOWCXFLDBUNP-UHFFFAOYSA-N 421.354 1.475 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCNC(=O)c3ccco3)CC2=O)cc1Cl 1352864561 IOVDHVVNADXROO-ZDUSSCGKSA-N 400.822 1.704 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1358871210 AZMRHSNTUIUIAB-ULQDDVLXSA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCCC1 1358889492 CKKWYYITSGWCLZ-DOTOQJQBSA-N 409.556 1.649 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1358912412 QLRJHSJIODCSSC-QGZVFWFLSA-N 421.567 1.336 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)NCC)CC1 1358932440 KQFCVNNHACXZNG-UHFFFAOYSA-N 420.521 1.782 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOC(C)C 1358989141 RDNCLDIHXBUALR-UHFFFAOYSA-N 404.478 1.809 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCCNS(C)(=O)=O 1359073137 DMAIAMNRGAITKT-LJQANCHMSA-N 419.555 1.071 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1359254454 RXLINGUYIVOAKB-UHFFFAOYSA-N 424.509 1.794 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359289162 GWMCTVNOMZOKLL-UHFFFAOYSA-N 401.515 1.313 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OCCOC)C1 1359298696 JABJXGRRXGSAIT-QGZVFWFLSA-N 414.510 1.583 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1359303092 DFPNHHMVKGEOCY-INIZCTEOSA-N 405.462 1.381 30 10 HDEE C#CCN(C(=O)c1cnn(-c2ccc(Br)cc2)n1)[C@@H]1CCS(=O)(=O)C1 1359871277 KTLPMMASAUUSJY-CQSZACIVSA-N 423.292 1.292 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(O)C1=O 1450155253 JIVVTJFVNHUCOU-JKSUJKDBSA-N 406.483 1.118 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H](C(=O)N[C@H]3CCN(O)C3=O)C2)c2ccccc12 1450162009 HFKZLYBZULQJCL-KDOFPFPSSA-N 411.458 1.807 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)c1 1450439980 RRXLJMRUAAQLAJ-CTNGQTDRSA-N 416.474 1.538 30 10 HDEE C#CC[C@@H](NC(=O)CSCC(=O)Nc1cccc(Br)c1)C(=O)OC 1451178067 HVBDBYLWPXUFDD-CYBMUJFWSA-N 413.293 1.802 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCCN2CCC[C@H]2C(N)=O)c1 1453626432 FLCJTKAMZSXFRW-IBGZPJMESA-N 406.490 1.635 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1455496306 PRHJHRPCLYZTIU-HOTGVXAUSA-N 401.488 1.944 30 10 HDEE O=C(CCOCC(F)(F)C(F)F)NCc1cn(CC(F)(F)F)c(=O)nc1O 1455917305 FUJQSAYLUJCMES-UHFFFAOYSA-N 409.258 1.435 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)nn1 1461058924 PONMBGBCFNXZJR-GFCCVEGCSA-N 415.928 1.649 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OC 1462162609 JIBXMXWACSYAJJ-MGPUTAFESA-N 403.435 1.086 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)[C@@H](C#N)C3(SC)CC3)C2=O)cc1 1462375246 FHJCAQHNYZTDFF-KXBFYZLASA-N 416.503 1.708 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)c1 1464364125 NKTOZKKFKRJPQU-NSHDSACASA-N 407.389 1.737 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1468182163 FCWROAUKYXWZIC-JKSUJKDBSA-N 420.485 1.868 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CC[C@](CO)(C(F)(F)F)C2)C1 1469727760 BQUNYMZPNNMQJX-OZVIIMIRSA-N 406.405 1.702 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 1469967293 DTGLEOALWLPOFG-DZKIICNBSA-N 407.536 1.615 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1473526450 GETRIIOVGZENCY-OALUTQOASA-N 422.570 1.685 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)nc1 1479069008 MNTQEBUCOCQJGQ-FQEVSTJZSA-N 421.505 1.081 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@@](C)(O)[C@@H](C)CC 1499140760 HOBVICRHLUKJHQ-YCRPNKLZSA-N 414.558 1.878 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1503820138 RYAGLIHVXBGRMV-MSOLQXFVSA-N 410.478 1.715 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)OC 1507522328 VBUIFRQPVVVMEE-CABCVRRESA-N 405.524 1.688 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCn1cc([C@H]2CCOC2)cn1 1507646809 TVTXKDKATMIZGU-SFHVURJKSA-N 403.490 1.757 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(COC)CCCC2)CC1 1507723344 DXBDAVTYFKVMSF-SFHVURJKSA-N 414.554 1.581 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cn(CCCC)nc2C)CC1 1507732837 XYSNHFFIGRMCLC-LJQANCHMSA-N 411.554 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@]2(CCCOC2)C1 1508137199 KODOLUYNELWGOI-LJQANCHMSA-N 405.524 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCSC[C@@H]1C 1508144322 UJYBBONYHSAFKH-INIZCTEOSA-N 424.596 1.682 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512434467 LHAQULGUYYOYCL-UDJKBAMHSA-N 423.477 1.482 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1517888367 CLUVAGUJAVQGJO-LIRRHRJNSA-N 419.507 1.698 30 10 HDEE COCc1nocc1Cn1c(CCOc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1518832569 BPTBZBBHJMKRDY-SFHVURJKSA-N 424.461 1.811 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1519473315 FIPSDBKAFOEARN-GOSISDBHSA-N 408.466 1.216 30 10 HDEE C[C@H]1CN(CCN(C)c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1520831758 FBWBXAHUKYIZGW-IXDOHACOSA-N 414.510 1.840 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)s1 1531717367 COADBDKLSBOROV-UHFFFAOYSA-N 418.544 1.674 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1csc(S[C@H](C)C(N)=O)n1)C(=O)OCC 1531940026 HFASWXZJCGBXTG-MWLCHTKSSA-N 405.929 1.842 30 10 HDEE C#CCN(C(=O)CC[C@@H]1CCCO1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1536623726 CPZGIDJGQOZODQ-NHHWGVFUSA-N 400.519 1.822 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1539145052 BYIZKBPNXZGXNS-UHFFFAOYSA-N 410.526 1.021 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCO[C@@H]1CCCC[C@@H]1C 1539239897 SQBJUHITKGBKOI-OKZBNKHCSA-N 421.567 1.556 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)NC(C)C)CC1 1539459888 RCVFNNRFNDRLRB-UHFFFAOYSA-N 419.533 1.561 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539515137 YCNGAAOXEFGZPS-UHFFFAOYSA-N 411.597 1.774 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1539721789 HPRWDUZSZQYSPJ-UHFFFAOYSA-N 420.514 1.385 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539998334 GDAZGDPNEUHJLT-CVEARBPZSA-N 422.555 1.200 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1540049029 GGLZGDHRDMHKHG-LAUBAEHRSA-N 416.526 1.953 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1)C1CC1 1540095631 UFLBUPGGDZOQIX-AWEZNQCLSA-N 405.524 1.584 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@](C)(CC)C2)nnc1[C@@]1(OCC)CCOC1 1540876643 XLDGZYLJOULUHV-VQTJNVASSA-N 407.515 1.238 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCCn1cnnn1 1541236923 DTAJEJUVTGOPAF-CLCXKQKWSA-N 417.493 1.715 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CCCS1 1541934885 GWBPJFWRHHHION-ZQIUZPCESA-N 412.585 1.914 30 10 HDEE Cc1nccnc1CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1542982992 FLQLGKPTMGAEOX-AWEZNQCLSA-N 405.466 1.862 30 10 HDEE Cc1c(C(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cnn1CCC#N 1543201130 GCSSYCBPJKTHMY-UHFFFAOYSA-N 404.515 1.730 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1548184920 HIXPVBLJHULBCY-LJQANCHMSA-N 407.478 1.836 30 10 HDEE CCn1nccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(N)=O 1548369287 VBUYYSDIQFMEIW-MRXNPFEDSA-N 420.395 1.610 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1555011049 ABUXNIGYMWFLNJ-APWZRJJASA-N 401.492 1.550 30 10 HDEE CCN(CC)CC[C@@H](CO)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1556402542 UIBHHHRHJWZHJK-RKQJOMJXSA-N 422.570 1.982 30 10 HDEE CCOC(=O)Cn1cnc(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)n1 1557129995 JTJSELBVTZRIDO-UHFFFAOYSA-N 414.271 1.701 30 10 HDEE C#CCN1CCC[C@H](NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1558328599 BRFMMGKVNBRVRH-VYENPZKTSA-N 410.518 1.114 30 10 HDEE C[C@]1(C(=O)NCC#C[C@H]2CCCCO2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1558752555 IHMIOGXOWFTBCG-WOIUINJBSA-N 400.475 1.837 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@](CO)(C(F)(F)F)C2)CC1 1560130034 JISKKYSFYBQTFL-PBHICJAKSA-N 416.469 1.704 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CC1 1566317930 NEGFHBZCVSYULX-UHFFFAOYSA-N 413.459 1.228 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 1568918980 ZNBVYIAXLMHXGM-GOSISDBHSA-N 417.531 1.894 30 10 HDEE C=CC1(CC(=O)N[C@H](c2cnn(C)c2)c2ncon2)CN(C(=O)OC(C)(C)C)C1 1569725158 PCKINYJQFIJZFY-OAHLLOKOSA-N 402.455 1.822 30 10 HDEE COC1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@@H]1O 1570616702 VRNBKXPIDLKAFT-SIRSKZSMSA-N 423.510 1.356 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1570632483 PQHPKHCYTGJLNR-UKRRQHHQSA-N 417.897 1.143 30 10 HDEE Cn1cc(I)c(C(=O)Nc2ncc3c(c2C#N)COCC3)n1 1584220468 VNZOCXKRNFUZIO-UHFFFAOYSA-N 409.187 1.616 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 1586493727 DOCANEAYGCIVNJ-UHFFFAOYSA-N 417.300 1.773 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@@H](CC(N)=O)C2CCOCC2)CC1 1587425471 IBBCKZJWYNOCJM-KRWDZBQOSA-N 407.511 1.424 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1587625829 CLXQHRDKPMGIQT-LPHOPBHVSA-N 407.522 1.999 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](C(C)C)N1CCOCC1 1588697133 QAOLDDTXINMMFX-RBUKOAKNSA-N 405.543 1.572 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1589060185 ODFMUJWAOCOWOE-AEFFLSMTSA-N 416.595 1.906 30 10 HDEE C#CC1(F)CN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(OCC)cc2)C1 1589646090 DLPAUEALFRQESL-INIZCTEOSA-N 414.524 1.669 30 10 HDEE C=C(C)Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OC(C)C)CCOC1 1593683639 NDHUXBQYSHSUBM-NRFANRHFSA-N 420.558 1.105 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)NCCNc1ccc(C#N)cn1 1594798361 ZYOYBURFVUCVDE-KRWDZBQOSA-N 415.494 1.897 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1594812209 DBYQVQPOILPBEG-ZJPYXAASSA-N 424.567 1.634 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1594963314 RJSUMJPCCCWVJY-MRXNPFEDSA-N 407.496 1.304 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1595551667 UPXKHQLPXAGYOK-HNNXBMFYSA-N 416.530 1.353 30 10 HDEE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@H]21 1596684896 FOJMSHJVIKPIFE-ISARSNTHSA-N 410.474 1.771 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1596821608 DQTNIUGRTUVSSO-GXTWGEPZSA-N 403.874 1.952 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCN(C)[C@@H]3C)nnc12 1611662748 UUUPTWDRKMNXEW-HIFRSBDPSA-N 412.519 1.531 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1617868302 ACGLVAODJKJCCQ-IBGZPJMESA-N 424.505 1.539 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)NCc2nc(C#N)cs2)ccc1Cl 1617870408 LVLOHRNALYGUNH-UHFFFAOYSA-N 400.869 1.780 30 10 HDEE C[C@@]1(C#N)CN(C(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CCO1 1617894229 CYTUAHLMEKLWQL-QGZVFWFLSA-N 423.399 1.501 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)c(C)c([N+](=O)[O-])c2)nn1 1622264597 DFSBKTWODXLVKM-UHFFFAOYSA-N 416.257 1.922 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc([N+](=O)[O-])cc1I 1624565914 YOOBRXNYZNFXNC-UHFFFAOYSA-N 417.159 1.728 30 10 HDEE CCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)C1CCN(C(=O)c2ccccc2)CC1 1627518665 HGOWPGSKPGJEFS-UHFFFAOYSA-N 423.473 1.364 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C[C@H](O)c3cccc(C#N)c3)C2=O)cc1 1628663120 XGMBGLUKVDLKAB-WMZHIEFXSA-N 420.469 1.826 30 10 HDEE C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CN1CCOCC1 1629894294 GJLWGMXPZKZLNX-GDBMZVCRSA-N 404.898 1.649 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3O)C(=O)OC)cc2C1=O 1633485344 XSYRYZOQSQRFNA-QGZVFWFLSA-N 408.410 1.688 30 10 HDEE C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1633829269 UWKYCHHMHRORHZ-UHFFFAOYSA-N 403.298 1.226 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1636140053 YEGYTSNWCILULP-YSHGAJCASA-N 415.490 1.783 30 10 HDEE Cn1ncc(NC(=O)OC(C)(C)C)c1C(=O)N1CCN(c2cnccc2C#N)CC1 1637909083 MKMHSQIFGNVKBA-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1638428746 IEUXAQGOFOLYAR-OAHLLOKOSA-N 418.500 1.501 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(CN(C)C)cs2)s1 1638530737 PCOUALVIUXCHNH-UHFFFAOYSA-N 414.578 1.589 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H](C(F)(F)F)O2)cc1 1644264747 HZZBOLLFHJSCSO-HIFRSBDPSA-N 404.410 1.828 30 10 HDEE N#Cc1csc(CNC(=O)CS(=O)(=O)c2cccc(Br)c2)n1 1645702833 NRQPNNJVWJYCKK-UHFFFAOYSA-N 400.279 1.867 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CCO 1646010665 BEYODXHVNRPFQQ-OLZOCXBDSA-N 410.920 1.030 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 1648939843 BIDDLDLIBJOXFY-WOJBJXKFSA-N 410.497 1.815 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)c1C#N 1654182013 OWPBYUDLOXLIHY-RBZFPXEDSA-N 420.514 1.786 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C)C(=O)OC 1663617557 JNYSYWGGCDNTIC-CYBMUJFWSA-N 405.856 1.458 30 10 HDEE CC(=O)N1CC[C@@H](C)c2ccc(S(=O)(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc21 1663626564 HHDPULAAAILBEI-PBHICJAKSA-N 402.520 1.908 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)N=[S@@](C)(=O)N(C)C 1668595307 KWWGSPHGUXFVPL-YHAMSUFESA-N 417.553 1.468 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2OC(C)C)CC1 1676163546 IQMSTSRBMMDWLT-INIZCTEOSA-N 408.524 1.330 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc(Cl)c2Cl)CC1 1679507377 JFTBQTWCATYUQZ-GFCCVEGCSA-N 419.334 1.849 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1689827425 DVPCZLTZXRKBTH-CABCVRRESA-N 415.523 1.237 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689988087 JAYPMVSMUSHPIS-KRWDZBQOSA-N 416.551 1.386 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1690049650 APBVBIULKIMUEL-UHFFFAOYSA-N 419.577 1.753 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(F)c2)CC1 1690142213 KBYWSYOUFOCIMW-UHFFFAOYSA-N 421.480 1.832 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690163786 QQIXGHKOLNKEGR-MRXNPFEDSA-N 419.938 1.916 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690311138 DFTBRCZUDSITPM-MRXNPFEDSA-N 411.572 1.904 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1690673091 NXWRDPBDRMIUKG-GOSISDBHSA-N 420.521 1.369 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690676698 ATUFFMHMUDQOEO-UWJYYQICSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1C(C)(C)C 1690678336 SNILBTXQPNANPE-UHFFFAOYSA-N 401.515 1.496 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690971573 UOFIPEHMIJYZOK-YOFSQIOKSA-N 408.506 1.940 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1690973075 SMQIYLLQUCLUTC-LJQANCHMSA-N 419.493 1.776 30 10 HDEE CCOCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1696403863 RRBZSGZCDONILH-UHFFFAOYSA-N 413.482 1.378 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCOC1 1697227699 CFJRCPHOOFEWST-RTWAWAEBSA-N 410.478 1.324 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1697698138 IFLZQESQUYLICZ-GUDVDZBRSA-N 424.505 1.570 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1698494984 BBCIRUCZKYKKCA-SFHVURJKSA-N 416.526 1.899 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCO[C@@H](C)C1 1705573373 FOAMPWFOZVLWFC-ULQDDVLXSA-N 407.540 1.166 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F 1705582509 CMFQSAYQVOXOQG-ZDUSSCGKSA-N 402.442 1.842 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCC1(O)CCOCC1 1705590514 NGSTXRDSQXREGV-QFIPXVFZSA-N 416.522 1.325 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1705613339 YMQWJLYPNPKRSF-KRWDZBQOSA-N 423.583 1.897 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCN2CCCC2)CC1 1705641906 YNMWUWSFRCNAPV-UHFFFAOYSA-N 422.577 1.923 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)N1CCOCC1 1705704213 RHFKRKYKZGELKP-QFBILLFUSA-N 414.510 1.549 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)C[C@H]1COc2ccccc2O1 1705908555 SDFXCLNYHDVPEM-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)CC2CC2)C1 1705925598 RIAUHTXGCKSXHA-IAGOWNOFSA-N 410.540 1.388 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCn2ccnc2C1 1706850525 SYFKJJZNFUFWRU-ILXRZTDVSA-N 420.543 1.086 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H]1OC 1708756427 CUSJSVOFGIJAED-UAGQMJEPSA-N 404.515 1.740 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCN2CCCS2(=O)=O)C1 1712877602 PVXIZAILAQAKPD-QGZVFWFLSA-N 424.527 1.408 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(OCC2CC2)CC1 1722331971 BJZMBZSWILXGBQ-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1722362619 QWJIPJXHLVQAJO-HNNXBMFYSA-N 406.483 1.890 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1 1722397260 OOZAVSMEAJBNMK-KRWDZBQOSA-N 400.479 1.831 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(O)cc1 1722420203 DZPUVBPDDPVXNN-NRFANRHFSA-N 400.479 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(=O)N(C)Cc2ccccc2)CC1 1722446934 DLBXRRFKGIMJDO-UHFFFAOYSA-N 422.533 1.465 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1722697607 MWKLGGWCOUDWNE-MRXNPFEDSA-N 409.498 1.625 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1722701223 JPRXYBBWOVBQSR-UHFFFAOYSA-N 424.553 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@](C)(OC)CC1 1722727923 PVGINDZVLHHOLB-IBGZPJMESA-N 420.539 1.731 30 10 HDEE CC(C)OCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1723723280 HGRCLWCBUQNAMD-UHFFFAOYSA-N 419.493 1.753 30 10 HDEE Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCS(=O)(=O)N(C)C 1724579221 ARGWXUSVNCSRTN-UHFFFAOYSA-N 402.524 1.885 30 10 HDEE Cc1nccn1CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1725654666 IGBCOOGOKAAEGA-RDJZCZTQSA-N 419.555 1.904 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1728258508 RLDSKGVPVWZBBF-GOSISDBHSA-N 419.493 1.728 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C)n(C)c1=O 1730817353 WDHSDDZRJANUEW-GDBMZVCRSA-N 402.499 1.653 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC=CCO1 1730872488 WRUTZUTZPOGQDE-NEWSRXKRSA-N 416.526 1.524 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1730955913 NUKYTWMSDJEWAH-FDMITFGQSA-N 419.526 1.934 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NC(C)C 1740680655 KDMGXTJMINLGHC-UHFFFAOYSA-N 400.439 1.464 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740716601 VBJUBLMFQYTNMY-KRWDZBQOSA-N 402.568 1.265 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H](C(N)=O)C1 1740738520 IRTLNVJWWSDVNB-QWHCGFSZSA-N 416.320 1.612 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(-n2cncn2)c1 1740939894 LTVUXWPMNXLIHN-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C2CC2)C1 1740985720 KTTOAWMEQVBYSD-INIZCTEOSA-N 407.540 1.351 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(C)c1C 1740991045 MXIXNPQHAYVKGI-MRXNPFEDSA-N 422.555 1.451 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1741000036 LHAGPSWLOZKXHI-UHFFFAOYSA-N 412.523 1.254 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748667489 VEANMHPVCYZPFE-HRCADAONSA-N 423.525 1.188 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1748672624 VSOUZKNAHBAHFR-ZIAGYGMSSA-N 423.926 1.766 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1748687999 WFXHDNJHTCNSNG-CQSZACIVSA-N 411.441 1.665 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)c1ccccc1 1749241949 XPIDATBKXUUAGS-MSOLQXFVSA-N 408.506 1.845 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC(C)(C)C)C1 1749697112 HLYHGYNXTGWWAR-LSDHHAIUSA-N 415.560 1.485 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)N1CCOCC1 1749942473 OPVJBZFPFACTMQ-IRXDYDNUSA-N 406.531 1.463 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CC(=O)NCC=C)c1 1760128034 VGGIPCMBZOAVMG-GOSISDBHSA-N 422.489 1.488 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760183584 SBQRWQGPUJDIGI-INIZCTEOSA-N 404.540 1.179 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC1CCS(=O)(=O)CC1 1760205052 NHEQWDMBLCJSNW-UHFFFAOYSA-N 402.545 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1cnnn1 1760214355 KWULRQKQNYTBSM-UHFFFAOYSA-N 404.434 1.214 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCOCC1(C)C 1760250014 AESWMKGXOZPXJF-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1760428545 YJMSXPWVILJHLY-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1760470584 XAXXRDMGYNJWNA-UHFFFAOYSA-N 403.575 1.597 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760549010 UVNVPSGFBRDWJK-GOSISDBHSA-N 424.615 1.219 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1760560289 RLMLYUTXNCTTGF-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE Cc1ccc(CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)o1 1761771478 PYJINXBUKZSYEQ-CYBMUJFWSA-N 418.479 1.939 30 10 HDEE Cc1nccn1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1762365129 CRONTILFLIEUMD-OAQYLSRUSA-N 404.478 1.724 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1763721591 BFTGTTJGPIBXLD-LJQANCHMSA-N 420.539 1.353 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1764541413 UNVYZLSTOQRBOY-UHFFFAOYSA-N 421.505 1.544 30 10 HDEE CCCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1764571112 GXBCXWBPNSRLQH-CYBMUJFWSA-N 408.466 1.858 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1768983206 KAKSKOJCOKOEII-LJQANCHMSA-N 424.505 1.681 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc2c(c1)OCO2 1772564391 VGUNZNXFPZEQAI-CQSZACIVSA-N 420.491 1.610 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 1849391550 JAXPWKLFUYIBRI-QGZVFWFLSA-N 405.458 1.664 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)CC1=O 1850570883 VSWUWTBGUYXVRX-FOIQADDNSA-N 408.458 1.987 30 10 HDEE CN1C(=O)CC[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@H]1c1ccc(F)cc1 1851118368 YCLJOCNAYBUSPD-UYAOXDASSA-N 422.464 1.746 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)n1nnc2ccccc2c1=O 1851739032 GXCUJVKLEHMWIA-NWDGAFQWSA-N 411.853 1.987 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 1851747783 YFBYELSPTKJSIB-ZDUSSCGKSA-N 403.426 1.430 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2cccnc2N2CCC[C@@H](C(=O)OCC)C2)CC1=O 1853302637 QTKAHVIXOBYSQK-CVEARBPZSA-N 400.479 1.834 30 10 HDEE NC(=NOCCC(=O)N1CCC[C@H]1C(=O)N1CCc2ccccc2C1)c1ccncc1 1853555157 DYTADGXDUUXGPX-FQEVSTJZSA-N 421.501 1.685 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1=O 1853682582 NCSIREIDSJMQOS-MSOLQXFVSA-N 403.454 1.441 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C2=O)CC1 1853687046 FLGBNEUGZIUJPH-CQSZACIVSA-N 411.384 1.784 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2=O)CC1 1853800198 SQSDTWHDLLPFPR-LJQANCHMSA-N 408.502 1.684 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](N(C)CCC#N)C1=O)n1nc(-c2ccccc2)ccc1=O 1854270312 XESIUWXHZKYQDY-QFBILLFUSA-N 407.474 1.834 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cnc(C)s2)C1=O 1854303143 VKZVOXXQVPMXQU-SJORKVTESA-N 404.536 1.620 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)CCc3ccccc3)C2)cc1 1854346405 XZQKHHWBYOQWTE-LJQANCHMSA-N 400.456 1.832 30 10 HDEE COCCCN1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1855005525 DCBYJMYRYJLQCR-QGZVFWFLSA-N 418.925 1.801 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2onc3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855121629 AGBRMAPRSGKOIV-AWEZNQCLSA-N 406.442 1.981 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1=O 1855411758 JNGKRHYMMMFWDH-VQIMIIECSA-N 409.490 1.740 30 10 HDEE Cn1ccc(CC(=O)N2C[C@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)n1 1855844480 WBSPQFWJXOGZTI-SFHVURJKSA-N 405.502 1.895 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CSc3ccccc3OC)OCC2=O)CC1=O 1856201671 QZWODENAAHAAQQ-LSDHHAIUSA-N 404.488 1.576 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCCC2 1856217168 WIKLYLYQPJTOPV-INIZCTEOSA-N 416.547 1.833 30 10 HDEE Cc1cnc(CCC(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)o1 1856384311 KFYWZPYMRSETTP-HNNXBMFYSA-N 409.446 1.321 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](Cc4cccnc4)C3)ccc21 1856645457 VRHCSPTUVKPHFO-MRXNPFEDSA-N 424.482 1.664 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(C)c(C#N)c2)C1)[C@@H]1CCN(C)C1=O 1857074943 UHTRWATUBLKYNJ-YLJYHZDGSA-N 408.502 1.964 30 10 HDEE CCCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1cccn(C)c1=O 1861288647 ASDPTAAUSYQHNR-KRWDZBQOSA-N 406.527 1.616 30 10 HDEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)N3CCN(c4ncccn4)CC3)o2)cc1 1871283501 BKPJQETYXOABTB-UHFFFAOYSA-N 410.459 1.823 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2C(F)(F)F)cc(OC)c1O 1874460452 VNUJKXUSVPMAMD-PTXOJBNSSA-N 405.358 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1882599160 NUPYLJJJBMWULJ-UHFFFAOYSA-N 418.402 1.843 30 10 HDEE CO[C@@H]1C[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)N(C(=O)OC(C)(C)C)C1 2174785995 FEPWOLKGJKGOSK-RRFJBIMHSA-N 402.517 1.081 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2241158456 SOVADTWSADENRO-SECBINFHSA-N 404.681 1.337 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674368 IPIHVXWBSHETKD-OAHLLOKOSA-N 407.320 1.289 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2247805870 QLTGGRDXPGHLTR-UHFFFAOYSA-N 421.347 1.632 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2247857443 UTNIZYGVLYRPAD-ZFWWWQNUSA-N 419.331 1.967 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c1 2247929258 KQBISPDJRFCUDY-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE C#C[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258165443 GYZMNDHKBATFMZ-NVXWUHKLSA-N 408.476 1.129 30 10 HDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258171620 QKOYFHSUYPSKAQ-ZDUSSCGKSA-N 422.381 1.193 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N(C)C 2282330087 VGOFLPGOXXSSFJ-CHWSQXEVSA-N 400.375 1.618 30 10 HDEE COC1(OC)CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333035 JRRJSIQRJPYLQE-GFCCVEGCSA-N 403.331 1.477 30 10 HDEE CN(Cc1nccs1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282407826 CUEQMYROFKZPGX-UHFFFAOYSA-N 415.371 1.861 30 10 HDEE CO[C@@H]1CCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415887 NTDGQBRUWIEARL-WCQYABFASA-N 402.347 1.429 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H]1CCCC12OCCO2 2282499149 MZLOBATZZOPOSN-QGZVFWFLSA-N 423.340 1.868 30 10 HDEE CC(C)[C@@H]1NCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501003 QVYNFCPKHYCCTA-HIFRSBDPSA-N 400.375 1.712 30 10 HDEE CC[C@H]1COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510408 XYBJQUMETYCMKC-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1COCCO1 2282850186 LYLXZPDFTIJCOB-YPMHNXCESA-N 403.331 1.130 30 10 HDEE C=CCN(CC(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284412207 AYRSRDDGUICNOJ-UHFFFAOYSA-N 401.315 1.450 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)[C@H](O)CC3)sc2Cl)OC1(C)C 2284536039 DDKXTYZURIUPGU-TXEJJXNPSA-N 401.721 1.659 30 10 HDEE C=CCC1(C(=O)N[C@H](CSCC(=O)O)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2288515285 FHGFAJFBCJOINV-LLVKDONJSA-N 402.469 1.187 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n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c1nccs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c1cccc(OC)c1)C1CCN(C(=O)C(C)C)CC1 36211197 MGGRGJWDXPUSTO-IBGZPJMESA-N 401.507 1.990 30 10 HDEE CCOC(=O)c1ccc(C#N)c(S[C@H](C)C(=O)NC(=O)NCC(F)(F)F)n1 43793728 CVFXJFDCGXGBNU-MRVPVSSYSA-N 404.370 1.999 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@@H]3CCCO3)n2)c1 409849796 REXHOJYOXVXZJQ-IBGZPJMESA-N 407.474 1.988 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)cc21 427023490 QSLVVVQQMCXBNL-UHFFFAOYSA-N 416.441 1.092 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(CC(=O)N3CCN(C)CC3)c2)cc1C#N 427776888 GXIKPBQXPKJRAX-UHFFFAOYSA-N 413.503 1.379 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1ccc(NS(=O)(=O)Cc2ccccc2)cn1 432815730 JOPOPVZRRNXKOX-UHFFFAOYSA-N 403.464 1.447 30 10 HDEE C[C@H](CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1)CN1CCOCC1 446627644 GKGFTLJIGKAGEG-IPJUCJBFSA-N 401.511 1.911 30 10 HDEE C[C@H]1[C@@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC(=O)N1Cc1ccccc1 461890997 UDBLXDAFKWPMQB-BBRMVZONSA-N 414.443 1.934 30 10 HDEE CCC1(CC)CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC[S@@]1=O 469878596 CINGRHVKOIMLLK-PTFIGZPYSA-N 411.549 1.375 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccccc3-n3cccn3)CC2)c1C#N 472055016 XXFRVFVFQVLRMY-UHFFFAOYSA-N 404.478 1.818 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@H]1C#N 486004795 MFKLDOAADVIXNM-GFCCVEGCSA-N 405.270 1.387 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 486345562 COWYTLIODIKUDC-RTBURBONSA-N 408.520 1.446 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 488583468 RPEJXXDCEVQRBP-NWDGAFQWSA-N 416.413 1.461 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)cc2C1=O 491866259 OKJRIXRCDSESTH-VQTJNVASSA-N 411.502 1.966 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1C 503645075 VZOFIQNMAHFSPZ-UHFFFAOYSA-N 406.508 1.224 30 10 HDEE CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N1CCN(C(=O)CC#N)CC1 503646452 XUROBFHRAUPSGH-ZTLYHTANSA-N 414.550 1.928 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cn1 507516005 QUSLYRRPFPHLBF-UHFFFAOYSA-N 406.895 1.992 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4c[nH]c5ncccc45)CC3)n2c1 511664865 HXIZNVRGVLMKTP-UHFFFAOYSA-N 421.486 1.589 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC(c3nnc4ccccn34)CC2)CC1 512467924 GTBZHLZIDKYJTJ-LJQANCHMSA-N 409.538 1.601 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 517094552 YYGHVXPWSRVLMO-INIZCTEOSA-N 401.429 1.365 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnn2cc(Br)cnc12 537154271 CSHNJTFHIYPNEW-UHFFFAOYSA-N 403.244 1.374 30 10 HDEE COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)C2)nn1 545865423 IOGJPUZUFQBOHF-GFCCVEGCSA-N 409.855 1.616 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)s1 553549216 DSEGWKGRAGQMRE-CHWSQXEVSA-N 403.485 1.817 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553905679 NTGRRJYROCLPJE-HOTGVXAUSA-N 408.499 1.454 30 10 HDEE C=CCn1c(CN2CCN(C(=O)c3ccccc3)CC2)nnc1N1CCN(CC)CC1 565390634 NSKPZLVYSANLAL-UHFFFAOYSA-N 423.565 1.564 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 573168845 IWBDXYZPKKKPNB-GJZGRUSLSA-N 421.505 1.951 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](C#N)C(C)(C)C 574192999 GDJRJABDRPTOTR-SFHVURJKSA-N 422.551 1.689 30 10 HDEE N#C[C@@H]1CN(C(=O)C2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]32)CCO1 574491278 LNRDKWOIUUXROB-ZSXPZZPQSA-N 417.465 1.217 30 10 HDEE Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)n1 585478423 ZPWRJESQSOFJFA-UHFFFAOYSA-N 405.506 1.371 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCCS(=O)(=O)c2ccccc2)c(F)c1 586823727 IFSPUWOTFPQRCK-UHFFFAOYSA-N 403.435 1.294 30 10 HDEE C=CCSC1=NC(=O)C2=c3ccccc3=N[C@@H](c3cc(OC)ccc3OC)N2N1 588227451 XEHBHPNBWYAKBZ-LJQANCHMSA-N 408.483 1.766 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN(C)CCN1CCCS1(=O)=O 610614854 ICKFNSMOHDVXBF-HNNXBMFYSA-N 410.565 1.844 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c(F)c1 612535590 GHUWOZFYHDKBPH-UHFFFAOYSA-N 416.434 1.393 30 10 HDEE C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 731629528 DPRRTACSOUJODE-YTQUADARSA-N 402.516 1.740 30 10 HDEE CC1CCN(C[C@@H]2CCCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)CC1 732465212 DVFIJCNVDRSZOC-SKQREZPOSA-N 403.527 1.666 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccccc2)C2CCOCC2)CC1 734680751 RFSBBELZIVWXTM-NRFANRHFSA-N 400.523 1.784 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3c(C)cccc3C)c2=O)cn1 735068866 HAHXCOVPUADQOS-UHFFFAOYSA-N 421.526 1.371 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(CC)cc3)c2=O)cn1 735069169 MOKOVLAPLAVYHB-UHFFFAOYSA-N 421.526 1.317 30 10 HDEE Cc1nc(C)c(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)s1 736586857 JDWIAXHGVZPBDD-AWEZNQCLSA-N 417.556 1.890 30 10 HDEE C#CCNC(=O)[C@H](C)OC(=O)c1cc(S[C@H](C)C(=O)NCC#C)ccc1Cl 750954283 VKYXKGDPCRKILJ-QWHCGFSZSA-N 406.891 1.865 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 751970682 DFGRJFYEZWFOPP-CALCHBBNSA-N 408.545 1.610 30 10 HDEE C#CCOc1ccccc1CNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754034592 CHCPRLDHRBMNMX-UHFFFAOYSA-N 406.442 1.137 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl 756676365 LCHRLFZFPFKMSE-LLVKDONJSA-N 423.318 1.681 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCOc1cccc(C(F)(F)F)n1 759418177 CRTFTWZKNGFHET-PFONDFGASA-N 413.356 1.305 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cc(N3CCNC3=O)ccc2F)CCCCC1 760405799 NKSHCJZJKOBKCN-UHFFFAOYSA-N 408.455 1.889 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)C3CCCCC3)C2)cc1 760913738 CUQXAQRKNIWTEN-SFHVURJKSA-N 417.531 1.509 30 10 HDEE CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 760959573 CZPBOCYMVFMNSF-CQSZACIVSA-N 421.519 1.696 30 10 HDEE COc1cccc(-c2cc(NC(=O)C(=O)NCCNc3ncccc3C#N)n(C)n2)c1 763120585 WECWVUPWRXRZBA-UHFFFAOYSA-N 419.445 1.529 30 10 HDEE CC(=O)N1CCC[C@H](COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 766477117 FLMOXJJTOPUMOH-HIFRSBDPSA-N 407.492 1.305 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1 767426741 LZSQUHBIXNPSEG-UONOGXRCSA-N 409.309 1.983 30 10 HDEE C#CCN(C(=O)NCc1nnc2ccc(C(F)(F)F)cn12)[C@@H]1CCS(=O)(=O)C1 774151760 BZSBCJXYLBFQIU-GFCCVEGCSA-N 415.397 1.080 30 10 HDEE C#CCOc1cccc(Cl)c1CN1CCN(S(=O)(=O)N2CCOCC2)CC1 779154042 OCXWGNHLNZXGAZ-UHFFFAOYSA-N 413.927 1.047 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 780210722 SSIJFNMEYFEBOL-OAQYLSRUSA-N 421.453 1.556 30 10 HDEE C#CCn1c(=C(C#N)C(=O)[C@H](C)CC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781663481 QTUJKYOYBMQWDC-CYBMUJFWSA-N 409.511 1.682 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(-c3ccccc3O)n2)cc1 782642174 NOLBNFQAFJKNBS-UHFFFAOYSA-N 413.411 1.711 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(F)c1 789799779 LOBMDTXCKTYKIG-UHFFFAOYSA-N 414.412 1.606 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccc(F)cc1 794893975 UECZWPINCDEBIF-INIZCTEOSA-N 423.491 1.292 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CCC(=O)N(CCC)[C@H]1c1cncn1C 796089121 WXSZZESBMYYKPV-JJRVBVJISA-N 419.482 1.053 30 10 HDEE CN(C)C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(Cl)cc1 802142490 BCKXYNZQQLZXAG-BQASMSSTSA-N 405.886 1.768 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1 810561352 IWRJUEVEZIBBGW-OAHLLOKOSA-N 411.455 1.709 30 10 HDEE C=CCc1cc(C(=O)OCc2cn([C@@H]3COC[C@H]3OC)nn2)cc(OC)c1OC 811094674 PDCBDEHWMYHYQK-SJLPKXTDSA-N 403.435 1.967 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3cccc4c3CC(=O)CC4)CC2)o1 811427977 ZFISFRHVNWQGEM-UHFFFAOYSA-N 422.441 1.418 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CCC(O)(C(F)(F)F)CC1)NC(=O)OC(C)(C)C 883982193 ZFUQYIMBDCDSJK-LBPRGKRZSA-N 424.416 1.915 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)Cc1ccccc1C#N)N1C(=O)[C@H]2CCCC[C@H]2C1=O 916774759 AFTXDJRPJBWVBN-VBNZEHGJSA-N 403.460 1.068 30 10 HDEE C=C1CCC(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1124552829 CFIHRTAEWZLBSV-MRXNPFEDSA-N 412.533 1.837 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@@]12CCN(C(=O)OCc1ccccc1)C2 1127464695 XXIJQHBZHHXDDW-FXAWDEMLSA-N 406.504 1.752 30 10 HDEE CS(=O)(=O)N1CCCc2cc(C(=O)Nc3nc4n(c3C#N)CCOC4)ccc21 1135005669 DMYKVBZNRKGPNB-UHFFFAOYSA-N 401.448 1.249 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CCc2ccccn2)c1 1136588510 FFGUKLBFPXTWPF-UHFFFAOYSA-N 413.499 1.310 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn(C[C@H]3CCOC3)nn2)C1=O 1139683985 MEDSHNYIHMWLNM-KUHUBIRLSA-N 406.487 1.630 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCn2cnc(C#N)n2)C[C@@H]1[C@@H]1CCCO1 1140193035 GKGMTSKBZVHUBK-XHSDSOJGSA-N 418.498 1.461 30 10 HDEE CC(C)(C)OC(=O)N1CCC(Nc2ccccc2)(C(=O)N[C@@H]2CCN(O)C2=O)CC1 1141377884 DQNPRSUHFWEIHI-MRXNPFEDSA-N 418.494 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)=NO2)C1 1151625041 HISBVPIWCUAQMI-KKSFZXQISA-N 417.510 1.731 30 10 HDEE C=CCONC(=O)CS[C@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1158202538 BGLMQIJXXMWIEQ-CQSZACIVSA-N 404.492 1.778 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C[C@@H]2C1 1159299399 XSGCXIGUNIZUJK-BWPNAZKDSA-N 423.517 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)Nc2cccnc2C)s1 1160888058 JXBMAPXUSWWIHK-ZDUSSCGKSA-N 422.532 1.602 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC1CC1 1162839585 LIVRLIXFTBPSGA-XGIGFIBQSA-N 408.458 1.135 30 10 HDEE CN(Cc1ccccc1CNc1c(C#N)c(=O)n(C)c(=O)n1C)C(=O)OC(C)(C)C 1163656289 BZOMIHMCXCGBMT-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1180072979 FQAXDXRVTPQUKZ-YFXUYPJSSA-N 418.494 1.809 30 10 HDEE CN(C)[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1c(F)cccc1Cl 1181000123 LAFIGQVQXQSVHN-HNNXBMFYSA-N 405.817 1.299 30 10 HDEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)NCc1ccnc(C#N)c1 1196061939 CIDMOJJBZJVZIG-UHFFFAOYSA-N 408.867 1.796 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cn(-c3ccccc3Cl)nc2C)CC1 1207301204 CNCUIAYANAFNDL-UHFFFAOYSA-N 407.927 1.419 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1209263543 QVNXYWRBWABZQL-CABCVRRESA-N 401.510 1.958 30 10 HDEE C=CC[C@@H](CO)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1219367195 VYVPZHBGLQYJPZ-OAHLLOKOSA-N 411.524 1.576 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1248375903 QGMWRZOCJHIFAY-RBUKOAKNSA-N 424.505 1.248 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 1253674775 WYVPQFRVKIYMKX-FQEVSTJZSA-N 414.550 1.789 30 10 HDEE CC(C)(CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCOCC1 1264123955 HCAOADBHPSTEDD-HNNXBMFYSA-N 404.898 1.792 30 10 HDEE C=CCC(CC=C)C(=O)N1CCC(N(CCO)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1282405645 CDCXQOCGBCZFBY-TXVWBRJLSA-N 402.535 1.990 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1286302822 OMVWLUGEZPGBSY-WBVHZDCISA-N 410.478 1.346 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1C(F)(F)C12CCC2 1286409495 MRSGAPQYZYEOSO-HUUCEWRRSA-N 408.474 1.688 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccsc1 1286468747 IJAPNFQMPBYJBZ-HXUWFJFHSA-N 417.535 1.456 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCc2nccs2)CC1 1286495228 UFDFGASIDKEXPI-MRXNPFEDSA-N 414.535 1.795 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1286618430 AXJHWONMSJGJQT-GFCCVEGCSA-N 412.903 1.547 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1286727494 RKILEPOEAHCZNR-AWEZNQCLSA-N 418.502 1.386 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1OC)C1CC1 1286732276 OUWMFJWMPNUKEE-LZWOXQAQSA-N 413.544 1.095 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1286754967 XZVMANRADFEXGJ-NVXWUHKLSA-N 424.571 1.325 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)C 1286765093 ALVXKIHMQXPZFG-UHFFFAOYSA-N 421.523 1.076 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCOC1 1286780849 JHRWCCYNAYYVRN-OAHLLOKOSA-N 413.482 1.090 30 10 HDEE C[C@H]1C[C@@H]1n1c(COc2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1291041619 DPDRCBWBSVUHFV-YOEHRIQHSA-N 416.507 1.391 30 10 HDEE C=CCN(C(=O)c1n[nH]c(C)c1I)[C@@H]1CCS(=O)(=O)C1 1291936277 DALCWAOYYUVFCG-SECBINFHSA-N 409.249 1.138 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cc(Br)cc(F)c1O 1292292442 APCPQNHPPHEPCE-UHFFFAOYSA-N 400.248 1.982 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1295556403 DTAVYDJKNRRTSS-QWFCFKBJSA-N 422.547 1.737 30 10 HDEE CCN(C)C(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1296726982 AHXVZKRMSRNTIZ-SFHVURJKSA-N 400.479 1.987 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1298484263 XVCGLPYOGDENPZ-UHFFFAOYSA-N 420.514 1.940 30 10 HDEE N#CC1(CNC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCC1 1300228470 NSDIYTJYJYLUSC-UHFFFAOYSA-N 405.520 1.840 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1300267266 GPVQLMDJUHOOFI-GOSISDBHSA-N 422.533 1.857 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@](C)(O)CCOC 1300432270 FIZUUMXKJJUUEG-FQEVSTJZSA-N 419.913 1.718 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1300915610 OWJPFDRLOMTRNA-MGPUTAFESA-N 421.567 1.594 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301458583 XTRAUHTYZBLRCX-PMPSAXMXSA-N 407.515 1.980 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1301967412 CXDLWXQRGLMVPY-HOTGVXAUSA-N 403.508 1.855 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC 1303687537 RDTHGSDCUFJSTE-QGZVFWFLSA-N 424.519 1.644 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1303932861 AWOYGHCTJCHJNO-WOJBJXKFSA-N 415.519 1.625 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1309498021 DOMACRHYBDCREB-WCQYABFASA-N 422.320 1.665 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Nc2cc3n(n2)CCN(C)C3)cc1 1310131269 LMHCMUYQJQHPBG-UHFFFAOYSA-N 404.496 1.779 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1315000485 BWKJTYZDQITEHA-UHFFFAOYSA-N 418.505 1.755 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1320321960 QDUZOFMJBRPSOZ-LJQANCHMSA-N 421.563 1.754 30 10 HDEE C#CCN(C(=O)c1cc(Br)c2nccnc2c1)[C@H]1CCS(=O)(=O)C1 1352905465 PIEYDIXZCGNUHA-LBPRGKRZSA-N 408.277 1.655 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)COc3ccc(Br)cn3)CC2)nc1 1357209428 GJQAEEVVSJLWSG-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)/C=C/c2ccc(C(=O)OC)o2)c1 1357767446 UCXOWVHAWBECSK-CSKARUKUSA-N 422.437 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)COC 1358885321 HUPLPUUMJRLGCP-GJZGRUSLSA-N 404.540 1.979 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C(OC)OC)c1 1358938225 UMLBUWGLGRDAFH-CQSZACIVSA-N 421.523 1.297 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCCN(C)S(=O)(=O)CC 1358991360 XCBSYZGXBMVYAN-UHFFFAOYSA-N 414.535 1.475 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1358993964 APDAHMBWMDJZQZ-JXFKEZNVSA-N 416.503 1.144 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)C)C1 1358997579 XULNYGMMFGUHEO-HXUWFJFHSA-N 410.566 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1359009964 CLVWXQMNAJWYRQ-KRWDZBQOSA-N 402.520 1.891 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1COC 1359018333 MFOVLGJIDJQSRM-UHFFFAOYSA-N 411.506 1.795 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCSC2)CC1 1359040378 RSMSVVGBVSWRJJ-QYZOEREBSA-N 419.595 1.901 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1359298221 ROKHRMWRQMMYDD-QFIPXVFZSA-N 419.489 1.789 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359299707 LOWCUQSQHYFHNQ-DOTOQJQBSA-N 416.526 1.317 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N(C)CC)C1 1359313621 OYKWWXBRVONUSP-UWJYYQICSA-N 421.542 1.578 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2ccn(CCC#N)n2)C1 1435239247 AXMQSXPAILBWOM-FZKQIMNGSA-N 423.495 1.017 30 10 HDEE CC(C)(C)OC(=O)[C@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCOC1 1437441199 QZJPTMQEOXIIAN-IBGZPJMESA-N 423.491 1.109 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(C2CCSCC2)n1 1438241448 RUSZAWAWOLQVCO-UHFFFAOYSA-N 405.505 1.628 30 10 HDEE CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1(c2ccc(C#N)cc2)CCCC1 1441397047 TUTPNBMEHWGFQQ-KRWDZBQOSA-N 403.504 1.132 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1=O 1448511882 CFONNIYZOYQQIY-GDBMZVCRSA-N 417.510 1.993 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCCO1 1448851354 ULUQXAXOIZUMSF-HTAPYJJXSA-N 413.474 1.666 30 10 HDEE COC[C@@]1(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CN(C(=O)OC(C)(C)C)CCO1 1455037261 GCYKYMZHVKUVFV-XMSQKQJNSA-N 415.490 1.794 30 10 HDEE C[C@@]1(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)OCCc2ccccc21 1455223177 ALPRPHTUCJYHCL-NRFANRHFSA-N 413.499 1.720 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cnnn2-c2ccccc2Br)CC1 1460024780 XQJCOAXDPQXCRG-UHFFFAOYSA-N 418.251 1.949 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCC(O)(CO)CC2)cc1 1460368581 DUSGOBJMXSGQQS-UHFFFAOYSA-N 412.490 1.732 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(OCC(N)=O)CC3)C2)C1 1465478461 PKGWSUNLNSJIRC-DBWCEAHUSA-N 420.510 1.266 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1 1470006960 DVTMEEPTCJLDTO-YOEHRIQHSA-N 405.499 1.970 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CC=C(C(=O)OC)C1 1470121403 NBRVPRSWLGNCGG-HOCLYGCPSA-N 419.503 1.662 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1 1470401409 SKJWCSZMBNMFEW-GOSISDBHSA-N 420.512 1.550 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)Nn1ccc(O)nc1=O 1470659848 FFGRAFDZVCVMGW-UHFFFAOYSA-N 409.196 1.131 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3C(=O)NC4(CCCC4)C3=O)C2)nc1 1471983703 GESJGHDKRYFZRO-MRXNPFEDSA-N 410.478 1.611 30 10 HDEE C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc(-c2ccccc2)no1 1478347176 XKCCYYVZMAGJRZ-RFUYNDQBSA-N 415.475 1.420 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N(C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1479523485 DZFMRRRXHJYUFG-GNZRSQJKSA-N 419.503 1.599 30 10 HDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1503209071 DVDRGQJLFBYUPH-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1NC(=O)CC1(C)C 1505056990 OLPQKQFQZIDWRC-DLTWYDFYSA-N 404.515 1.655 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)C[C@H]1OC 1505123308 CEIXODKQGXTFQI-HDICACEKSA-N 412.494 1.535 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@H]2C1 1507564762 WEZQQXKMXPGCJD-ROUUACIJSA-N 405.568 1.658 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1507588319 JFSMOYFDTSTMLL-MRXNPFEDSA-N 407.496 1.254 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1507601493 RWFZSPJZFFAJTC-CABCVRRESA-N 405.528 1.040 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(Br)cn1 1507604345 ACTOKWHYLWHASS-UHFFFAOYSA-N 420.315 1.633 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1occc1C)[C@@H]1CCS(=O)(=O)C1 1507631145 BOYDXILPCIPYRF-DLBZAZTESA-N 418.519 1.749 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1507634212 XDYWCVXLGUHTAT-FGTMMUONSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1507651472 AZTJMVWNSQINRX-KRWDZBQOSA-N 405.458 1.316 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc2c[nH]nc2c1 1507712966 UWIPWJVFXHJKKJ-QGZVFWFLSA-N 407.478 1.434 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(CC)noc2C)CC1 1507715829 IQIHNTFLTIFQNW-UHFFFAOYSA-N 411.510 1.176 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCC(C)CC2)CC1 1507723365 FVZWUDQRYHUCCT-LJQANCHMSA-N 413.570 1.106 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccnc2)CC1 1507737709 CIZTYWAVPCEYPW-HXUWFJFHSA-N 422.533 1.776 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507784327 INCVCSXUIRCNTG-JHJVBQTASA-N 415.288 1.051 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1507983281 ZXFLOPWUVJKKFG-CVEARBPZSA-N 423.514 1.624 30 10 HDEE CN(CCC(F)F)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517257604 DBIACBZXWLOCOA-WMQDPJMESA-N 424.452 1.790 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCCCO)C1CC1 1519524658 VLHLMHZVBIJOCA-UHFFFAOYSA-N 403.508 1.603 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)ncc1C#N 1538570220 HGDVSBQQYCYPEX-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccco1 1539037362 FGMWXQBURNVOJA-VYDXJSESSA-N 401.467 1.483 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1=CCCOC1 1539401219 XIVILMCAEXJGJX-NRFANRHFSA-N 404.511 1.751 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1539446362 XHJRDWVHYVKWAY-UHFFFAOYSA-N 416.526 1.204 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NC2CCCCC2)CC1 1539463052 SBLWPGFEWKMGSM-LJQANCHMSA-N 414.554 1.724 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539802406 XELFXQFVCSOONF-CABCVRRESA-N 418.947 1.565 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCSCC1)C1CC1 1540095753 UUSPZBKRSFBBRZ-AWEZNQCLSA-N 414.601 1.092 30 10 HDEE C=C[C@](C)(CC)C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1540537069 FMVVKDSVOPATRO-HXUWFJFHSA-N 422.551 1.353 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1540917202 PULCOPDMPDWGNW-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)[C@@H]2C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978671 VAHWRLPWLYTCHT-YHXRKZBNSA-N 404.467 1.132 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)CC1 1543962122 MOOBTPGZMCGJKR-CKJXQJPGSA-N 404.511 1.950 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(C)(=O)=O)CC1 1544196437 NZXNWOYGDHYVSS-HNNXBMFYSA-N 401.529 1.176 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OCC)CC1 1544421212 MSBAMSQQTOGMIJ-CYBMUJFWSA-N 417.890 1.256 30 10 HDEE CC(C)c1nnc(N2C[C@H](C3CC3)O[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1544640438 LWBHXXIWRIXPNM-PXWUZIAUSA-N 414.510 1.932 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1545243065 FPXSNCFMESJNDV-NSNWQYSKSA-N 416.523 1.127 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCOCC1 1545873911 CSRLEFWWDVOECW-UHFFFAOYSA-N 418.542 1.868 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1546545810 LLPDKZOVCQLHLB-SFHVURJKSA-N 410.526 1.154 30 10 HDEE CCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546547444 QONJVKKDUYJBNO-VCHHOEMESA-N 414.388 1.134 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1546858267 SCASDBHVHJRHGQ-LZQZEXGQSA-N 424.505 1.931 30 10 HDEE CN(C)CCOCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552874601 BUGVFWAUAJXFBK-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE COCCOC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1555704350 ZXJHUNGWYLPVGY-KRWDZBQOSA-N 414.466 1.374 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1555720759 ZOOAJDQXTGLKEY-LJQANCHMSA-N 412.494 1.585 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CSc2ccccc2O1)c1cc[nH]n1 1557191062 ALLWZOKCHOPMAU-GFCCVEGCSA-N 404.448 1.363 30 10 HDEE C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C 1557239052 LYLJGJFQPMRZOM-KWCYVHTRSA-N 404.467 1.329 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1c(F)cc(Br)cc1F)C(=O)OC 1561512363 WINWZLFSISTHBT-LLVKDONJSA-N 414.224 1.750 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)cc2n1 1563300233 HMKOWHZPZMSMCN-UHFFFAOYSA-N 406.446 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CCC[C@@H](C#N)C2)C1 1565335209 RMXNKJYXKSQDOB-GJZGRUSLSA-N 414.528 1.356 30 10 HDEE C=CCC[C@H](NC(=O)[C@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OCC 1569186404 BCBPMAKPCHOACE-RYQLBKOJSA-N 406.454 1.344 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)OC)CN(C(=O)OC(C)(C)C)C1 1570480468 NAGMIXLYABXUJB-CQSZACIVSA-N 409.483 1.080 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 1583248103 ZXEUBWZIRGQUKZ-FXAWDEMLSA-N 424.519 1.520 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCCCN(C(=O)Cn2cc(C#N)c(O)nc2=O)C1 1587136356 HGNNBGXMBCGYSY-AWEZNQCLSA-N 405.455 1.116 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1587160756 FYMOTPUCIROUHZ-CSODHUTKSA-N 403.479 1.385 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1587381719 CNVJEGABZRUGFD-ZDUSSCGKSA-N 407.264 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1587661428 BBPJLGKZNNQWQD-FUHWJXTLSA-N 413.526 1.093 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOC1 1587882820 JCBPQUHSGCAHHA-KRWDZBQOSA-N 408.252 1.205 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(O)(CC)CC)[C@H]1CCS(=O)(=O)C1 1588045946 UMMAWGKCNCIBPM-INIZCTEOSA-N 417.535 1.518 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nccs1 1588084885 XTRZAYSZOGTKEB-KGLIPLIRSA-N 406.537 1.221 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCc1n[nH]c(C)n1 1588159612 ZZIDKALAMAZSNF-UHFFFAOYSA-N 403.490 1.814 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(S(C)(=O)=O)CCC1 1588263549 XGMKLIMXJPNVNW-UHFFFAOYSA-N 409.556 1.623 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(F)c(COC)c1 1588638865 XSFSZZZODPEZFL-GOSISDBHSA-N 415.469 1.649 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCOC[C@H]2C)CC1 1588733073 LWJAZDKZCSPWSZ-QZTJIDSGSA-N 423.521 1.353 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2=CCCOC2)CC1 1588769368 RRLQTHQVCHIUGC-UHFFFAOYSA-N 408.462 1.955 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1595387018 MPIBPQQTNOUVHS-CQSZACIVSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595522365 CMBPBMLVEBXIST-HNNXBMFYSA-N 410.482 1.661 30 10 HDEE C[C@H](Cc1cc(Br)ccc1F)NC(=O)CCn1cc(C#N)c(O)nc1=O 1596444004 AHGFOPWABCYALT-SNVBAGLBSA-N 423.242 1.860 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1596483612 CNGRUMPDJABHOZ-IVZQSRNASA-N 424.505 1.462 30 10 HDEE C[C@H](CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)S(C)(=O)=O 1596604249 FOQJXICKHNHGOV-DYVFJYSZSA-N 421.519 1.942 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)COc1ccc(C#N)c(Br)c1 1597599576 WRXFMPGWKAFUHH-WFASDCNBSA-N 411.252 1.926 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1598055273 TXPNZXYZIXKQDG-UHFFFAOYSA-N 409.494 1.305 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1603027864 UZFCZGILHNOSNN-KRWDZBQOSA-N 402.524 1.848 30 10 HDEE Cc1c(Br)cnn1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1611245280 OODZRQLWYUXRFN-DGCLKSJQSA-N 412.288 1.829 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1611315365 WWWKIHIJTUSVEQ-RYQLBKOJSA-N 409.494 1.795 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H](NC2CC2)C(F)(F)F)cc1 1611688020 MSOVSEYDAZOMOE-HNNXBMFYSA-N 405.442 1.954 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1617734582 CSZLRQPRLDZGNF-SFHVURJKSA-N 413.503 1.787 30 10 HDEE CO[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1622327188 FHVAUMOUIIRSID-MOPGFXCFSA-N 415.519 1.968 30 10 HDEE CCO[C@@H](C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1 1624144552 UVTJFBDCXWJPRE-RHSMWYFYSA-N 400.435 1.896 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCOc1ccccc1I 1624565015 JQDXCWQJMMLSNY-UHFFFAOYSA-N 416.215 1.975 30 10 HDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1624866360 RBIPVHWGGHWSLT-KRWDZBQOSA-N 409.461 1.955 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C#Cc2cccs2)C1 1625990178 RLKDEVZVLNLAOD-OAHLLOKOSA-N 405.520 1.979 30 10 HDEE C#CCC1(NC(=O)CCCn2cnc3cc(OC)c(OC)cc3c2=O)CCOCC1 1626211366 XCHQMQVUBJTHAW-UHFFFAOYSA-N 413.474 1.883 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1627553555 JNWRRWCGBUYQOI-ZDUSSCGKSA-N 423.470 1.067 30 10 HDEE CC#CC[C@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1628511368 WIVWZJUJPXUZKT-KDOFPFPSSA-N 422.279 1.107 30 10 HDEE Cn1cc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)c(=O)c2cnn(C)c21 1628900247 BLKSFJIPSFSAOW-SFHVURJKSA-N 408.437 1.434 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)c1 1630351441 QCCAZOAMIOXVAN-NDGNEDBOSA-N 418.479 1.039 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 1631151940 XZWHLULJHMOVOH-QGZVFWFLSA-N 415.490 1.983 30 10 HDEE C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)Oc1ccc(Cl)cc1 1632216853 RNGUQWIQHQSEGY-NSHDSACASA-N 403.826 1.508 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C1CSC1 1632571703 LJSDZTROONKWGF-UHFFFAOYSA-N 407.561 1.996 30 10 HDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CC(Nc2cccc(C#N)c2)C1 1634259798 HHPVXFPOGRCZIL-UHFFFAOYSA-N 416.459 1.159 30 10 HDEE C=C(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1635426150 AVTSOONIUQMRSN-UHFFFAOYSA-N 410.540 1.412 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)s1 1635807260 CRZUIKWNXMVKCM-PMUMKWKESA-N 414.549 1.550 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](O)(C(F)F)C1 1635929059 DFCLOUJZFLSMSC-UGSOOPFHSA-N 415.462 1.512 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCN([C@@H](C(N)=O)c3ccccc3)CC1)C2 1637884795 BKXYSUXQPHKJNM-LEWJYISDSA-N 403.486 1.579 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1638698731 AHPNKVKQOYSORS-UHFFFAOYSA-N 414.535 1.987 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(Cc2nc[nH]n2)CC1 1639861496 CWFJMYSMNYJLBL-OAHLLOKOSA-N 405.503 1.426 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1640668252 GMUDTDJBZBIZHV-MRXNPFEDSA-N 410.478 1.363 30 10 HDEE Cc1ccc(C(=O)NC[C@@]2(C)COc3ccccc3O2)cc1S(=O)(=O)NCC#N 1641247965 JHRDIIRKTKDKSK-FQEVSTJZSA-N 415.471 1.757 30 10 HDEE CN1CCn2ncc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)c2S1(=O)=O 1641567000 PUQOGLIFPLXMFI-UHFFFAOYSA-N 414.491 1.106 30 10 HDEE CC(C)(C)NS(=O)(=O)C1([C@H](O)CN2CCN(c3ccc(C#N)cn3)CC2)CCC1 1641568680 BJBKACRVPWWHCE-QGZVFWFLSA-N 421.567 1.077 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc(COC)ncc3C2)c1 1642639105 POASOUMFFPCIQF-UHFFFAOYSA-N 402.476 1.286 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1643855659 YRDCKXOJEAXQPX-VQHPVUNQSA-N 410.536 1.528 30 10 HDEE N#Cc1cccc(C2(NCC(=O)NCc3ccc(OCC(N)=O)cc3)CCOCC2)c1 1643868831 MLRBHQCBQRDRST-UHFFFAOYSA-N 422.485 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)Nc2cccc(C#N)c2)C1 1644042930 QOUGBSLMGFYLFI-UHFFFAOYSA-N 413.478 1.308 30 10 HDEE COCc1ccc([C@H]2COCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)o1 1644601211 SSVPOGJOQKWDTF-RBUKOAKNSA-N 404.511 1.492 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccc(C#N)cc2)CCO1 1647906366 MGYMVNWZUHUSRP-NRFANRHFSA-N 403.479 1.946 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1 1648639617 LJNPJQRKMNBXJU-UHFFFAOYSA-N 421.563 1.604 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@@H]1C 1649011097 DIUVZJZONLABQX-STQMWFEESA-N 403.435 1.827 30 10 HDEE CCOC(=O)Cc1csc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1651728213 QPLFIEBTZJULIY-AWEZNQCLSA-N 412.471 1.790 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC[C@@H]3C)C1=O 1663042153 BBILNHXHAQFUIQ-KBXCAEBGSA-N 405.520 1.954 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1)C1CCOCC1 1670502466 OEQGPSBFEJJDEN-ZDUSSCGKSA-N 407.414 1.024 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1676270917 HBZPRIQEDYOHRR-MAUKXSAKSA-N 406.508 1.340 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 1677459361 SHPLKDGWAJTQGQ-FQEVSTJZSA-N 400.523 1.294 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1677641372 GYIKJHSRRXBUCA-UHFFFAOYSA-N 401.488 1.778 30 10 HDEE Cc1cc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)ncc1C#N 1679652311 HSGBORBGBCXHKC-UHFFFAOYSA-N 400.464 1.263 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1682197740 XXQJLRKOTMFXQP-GOSISDBHSA-N 402.495 1.059 30 10 HDEE CN(C)Cc1csc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1686054716 CELMCTLQDGDAMU-OCCSQVGLSA-N 408.528 1.763 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1686315563 RQCWPMAUNWWPDI-HONMWMINSA-N 409.284 1.988 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689986259 LVRJSPMXBYAWRY-WBVHZDCISA-N 403.508 1.249 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1689994081 QRIBACCRJLUSFV-GOSISDBHSA-N 414.531 1.914 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@H]2C)n1 1690108003 LPTLTQMPESUSOV-SJLPKXTDSA-N 411.510 1.578 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(CC)cc2)CC1 1690130293 DHBFKTAVKOFFLM-UHFFFAOYSA-N 420.561 1.961 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CCC)OC)CC1 1690144315 UMZOFTJSBVTBMQ-SJORKVTESA-N 416.526 1.010 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CCn1cncn1 1690569586 KBAHHKLSPJXOKS-QGZVFWFLSA-N 410.457 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690663127 MROKEGBLNDYRNH-KRWDZBQOSA-N 423.521 1.276 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@](F)(C#N)C1 1690665606 JQLYFWABMSBNLD-HXUWFJFHSA-N 414.441 1.706 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1690672021 FZPXIVRIOMFLMB-HXUWFJFHSA-N 418.448 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@H]21 1690714564 OWIDNYWEHARBPK-LSDHHAIUSA-N 416.507 1.515 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1692668582 DRKDCSKBIOAXET-CQSZACIVSA-N 409.494 1.576 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705501838 PAWXLCFWPPELAZ-ULQDDVLXSA-N 409.556 1.477 30 10 HDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOCC1 1705658152 GLFYFFBMQFZCRY-UHFFFAOYSA-N 420.564 1.441 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705660032 LKOPFJJRTXSWJJ-IAGOWNOFSA-N 418.567 1.926 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2CCCO)C1 1705918374 IDMSXEYQZPDLBJ-UXHICEINSA-N 412.538 1.968 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2nnn(C)n2)C1 1705929753 WZWPDDWJWCRLNQ-KRWDZBQOSA-N 424.509 1.773 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN(C)C(C)C)CCOC1 1706681302 XSDWCLLWPOIRND-GHTZIAJQSA-N 420.558 1.778 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1710198662 HFIXWMXMXYGAIC-HNNXBMFYSA-N 408.466 1.614 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1711104751 GUGUACJQIRRALD-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1712409496 DPQXZRDFMFIVSC-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@](C)(O)c1ccco1 1712529815 CUVHBZMRNVYAJL-CCKFTAQKSA-N 407.446 1.945 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1nccs1 1712563443 XOORCZCDFAPSAL-HOCLYGCPSA-N 417.539 1.683 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1722336552 YFNSBZRYIFVWIL-UHFFFAOYSA-N 411.510 1.701 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1722354675 JAOUQRKQYBZKGB-SFHVURJKSA-N 409.450 1.034 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1 1722707577 SQEQOZFKZIINQH-UHFFFAOYSA-N 405.462 1.627 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC)C1 1722729158 XFKHWCRCMXYTOD-OAHLLOKOSA-N 411.572 1.430 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1723643612 JGGIBXJVIATDFS-IAGOWNOFSA-N 407.478 1.056 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1723773692 HPLRPYJBGMFVFO-HNNXBMFYSA-N 413.507 1.591 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1729313503 XZUJQRLUVICMJG-ZWKOTPCHSA-N 411.485 1.557 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1740588623 CNOQWMKBHCFVKO-KRWDZBQOSA-N 404.478 1.236 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740594539 POTMVTKJEGGTNN-UHFFFAOYSA-N 420.517 1.776 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1740625573 GSTUTHQCGIDSMY-TVFCKZIOSA-N 424.542 1.937 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](C)(C(N)=O)C1 1740714166 SERLARVMGBUGQF-HXUWFJFHSA-N 413.503 1.742 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740737926 CEMLOAQKHQXAIA-UHFFFAOYSA-N 406.350 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1740990674 CPMJOPQKAWJZII-KRWDZBQOSA-N 419.555 1.806 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1CCOCC1 1744096233 BEHPMRIQXBWMFW-KRWDZBQOSA-N 404.515 1.742 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@H]1CC(=O)N(CCOC)C1 1748898436 JLACXMXWKKBQKM-FQEVSTJZSA-N 411.550 1.969 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CCOC)c2)CC1 1749291197 AELFTFOUWBPOLX-OAQYLSRUSA-N 416.526 1.978 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1749353492 UPOGMFMTYKKGRV-CABCVRRESA-N 423.470 1.062 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749676398 PERPUFVHRVWHKS-CVEARBPZSA-N 414.535 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCn2cc(C)cn2)C1 1749721454 KIYRZMKVICGDKQ-FHWLQOOXSA-N 416.526 1.989 30 10 HDEE COCCO[C@@H](C)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1Cc1ccc(C#N)o1 1750022306 BPKPHHUTYOUNCZ-RRQGHBQHSA-N 405.455 1.365 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1752323208 GDVBOXPSEUMFFS-UDJKBAMHSA-N 423.477 1.482 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1Cl 1760175943 VRCHGFOLQSAMDK-INIZCTEOSA-N 423.926 1.382 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@H]1C 1760195419 BJMNFKKKYDSASR-DENIHFKCSA-N 415.538 1.112 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@](C)(O)c1ccc(F)cc1 1760208546 FJQJLYHUACTXOG-JOCHJYFZSA-N 411.481 1.926 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccccc2C)CC1 1760259778 GZCRVLXLEGFCJI-MOPGFXCFSA-N 422.533 1.760 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)CC1 1760412905 UIKVMYYEYWCRDN-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)c1ccco1 1760522537 VVCHFDSRTQSYST-ZIAGYGMSSA-N 407.496 1.273 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1760848342 XRZXBLAYXAGXKU-OAQYLSRUSA-N 415.542 1.693 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1766222496 HSPHASKJUSGGMW-AWEZNQCLSA-N 403.874 1.639 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766489229 GOBSHZPXTNTQQH-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE CO[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N)C1CC1 1768086912 IBVJKKIOHXPGNT-KBXCAEBGSA-N 407.482 1.942 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@H]2CO)C1 1770730931 HOFXCWZYQVPQAS-SQGPQFPESA-N 406.506 1.808 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771506584 AXAXEBAYXZKLDD-KBPBESRZSA-N 419.507 1.697 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCOC2)nnc1N1CCC(F)(F)C1 1771564244 BSMCLPUVQNQQOE-WKSPDDFDSA-N 422.436 1.544 30 10 HDEE N#Cc1cc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)ccc1F 1850967810 UTNDEMSFJPSJKL-UHFFFAOYSA-N 408.377 1.745 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2cccc(C)c2)CC1 1851075112 OHTIEAYMKKWWJL-FQEVSTJZSA-N 405.564 1.856 30 10 HDEE Cc1nn(C)c2nc(N3CCN(CCOC(=O)CC#N)CC3)cc(C(F)(F)F)c12 1851620832 KGKXXDMJVCPHQP-UHFFFAOYSA-N 410.400 1.874 30 10 HDEE N#CCc1ccc(C(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc1 1852461564 JLRZDCGSYYXBSY-IEBWSBKVSA-N 404.426 1.316 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(CCC#N)CC1 1852650179 YSEQVYOINQCRBC-KRWDZBQOSA-N 412.943 1.701 30 10 HDEE N#Cc1ccc([C@H](CC(=O)N[C@@H]2CCS(=O)(=O)C2)N2Cc3ccccc3C2=O)cc1 1852784590 YVNUKVPCXRZQDQ-QUCCMNQESA-N 423.494 1.949 30 10 HDEE C=CC(C)(C)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC 1852788829 QOMFVHRDHASNLA-UHFFFAOYSA-N 410.540 1.501 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2nc(C)cc(S(=O)(=O)c3ccc(C)cc3)n2)CC1=O 1853223700 BWFJMBARBNTJFT-OAHLLOKOSA-N 414.487 1.899 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2cc(=O)n3ccccc3n2)[C@H](C)OC)CC1 1853419298 LKQLLXQPGSIVFW-AWEZNQCLSA-N 420.491 1.588 30 10 HDEE NC(=NOCCC(=O)N1CCC2(CC1)OCCO2)c1ccc(Br)cc1 1853443840 FFUSGRCPYVGKOR-UHFFFAOYSA-N 412.284 1.842 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(NCCn3ccc4ccn(C)c4c3=O)CC2)CC1 1853490508 RKWQGUKJZIEBJW-UHFFFAOYSA-N 418.563 1.833 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)CC1 1853738825 LCKUYTYUJQGJKV-MJGOQNOKSA-N 412.490 1.864 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cccnc2OC)C1=O)[C@@H]1CCN(C)C1=O 1854101423 WPRKVVFEJDEMDN-DLBZAZTESA-N 400.479 1.330 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2conc2C2CC2)C1=O 1854222833 BASFRPPWZPLPMF-IAGOWNOFSA-N 400.479 1.792 30 10 HDEE N#Cc1cccc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc4c(c3)CCO4)C2)c1 1855230852 UMYGPBSHHUIONW-INIZCTEOSA-N 400.412 1.655 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)c2cnc3sc(C)nn3c2=O)C1=O 1855375869 VMOBLBKDKFLNNJ-DZGCQCFKSA-N 401.492 1.631 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)C4CC4)C(=O)O3)CC2)cc1 1855828033 KKPIVNBNFSQKKX-KRWDZBQOSA-N 403.460 1.716 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)CC2=O)cc1 1855907485 YMHITHJINRJWRH-RTBURBONSA-N 408.502 1.959 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H](F)CC(F)(F)F 1855977850 AUIGJVAIDTXOOV-LBPRGKRZSA-N 421.372 1.927 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 1856096315 DMLCTTLWURPLRW-CABCVRRESA-N 416.547 1.652 30 10 HDEE CC(C)(C)c1csc(CN2CCN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)n1 1856190302 HBBSYRJIXGCAFV-OAHLLOKOSA-N 403.552 1.847 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN([C@@H]4CCCCC4=O)C3)CC2=O)cc1C#N 1856581200 QISCJNCSTJHISE-WOJBJXKFSA-N 408.502 1.737 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccccc3-n3cnnn3)C2)CC1 1856948599 RDRRZDAFCZIZSY-QGZVFWFLSA-N 407.478 1.667 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4ccncc4)C3)C2=O)ccn1 1857133094 BZDGQXZTBDVLOR-OXQOHEQNSA-N 405.458 1.880 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4ccc(OC)cc4C3)CC2=O)CC1=O 1857215346 LTKCMZMDHWYEGF-VQIMIIECSA-N 411.502 1.463 30 10 HDEE CN1CC2(CCN(C[C@H]3CCC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)CC1=O 1857237487 DEQINPWULSNNLS-GOSISDBHSA-N 408.502 1.881 30 10 HDEE CN(C)c1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 1870098265 VXPAGBBXHHLRRH-UHFFFAOYSA-N 413.419 1.914 30 10 HDEE C=CCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871707667 PXEDPKSQRWLVEU-CHWSQXEVSA-N 415.454 1.587 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)[C@H]1c1ccc(C#N)cc1 1891940971 JNSMZGITGJLIIM-JYRKZWEQSA-N 412.559 1.972 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1982298510 VVXGQIABERBBFE-VXGBXAGGSA-N 411.318 1.545 30 10 HDEE C#Cc1ccnc(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)c1 2061884781 DETCPGRYQOQTSP-LJQANCHMSA-N 401.419 1.829 30 10 HDEE CC(C)(C)OC(=O)NCC1(NS(=O)(=O)c2ccc(C#N)cc2Cl)COC1 2118165593 CPBHTMIDKXMSKW-UHFFFAOYSA-N 401.872 1.784 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N=c1cnc(I)c[nH]1 2145528785 MUFQVVOWPHNBLA-UHFFFAOYSA-N 400.201 1.484 30 10 HDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NS(=O)(=O)CC2(C#N)CCC2)C1 2174778628 ZEKARNCOWATSCR-QASKLWRZSA-N 401.485 1.199 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(C(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2181019677 SKBLBYYZINPJNU-KFWWJZLASA-N 402.513 1.237 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@]1(F)COCCN(C(=O)OC(C)(C)C)C1 2182455816 ZYOQYNOMIMMTMF-WMLDXEAASA-N 407.508 1.677 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nn(C)nc1Br 2219808237 KCUDXUNVGGWTSO-NSHDSACASA-N 414.304 1.843 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243429672 GNZUSWJCAXTBGZ-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CC1 2247861127 GRXZWNVOMOAYMT-UHFFFAOYSA-N 420.319 1.511 30 10 HDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CC(NC(=O)C(F)(F)F)C3)c2)OC1(C)C 2248034207 YAHXTGTZVYVCGZ-UHFFFAOYSA-N 414.189 1.194 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248394825 CVXZLYGOWJVRQY-VFNWGFHPSA-N 420.315 1.621 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@]4(N)C3)cc2Cl)OC1(C)C 2267706857 GZOSLHYHKXVDQE-BJOHPYRUSA-N 404.750 1.422 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282315693 RENAJWQASXSURC-CYBMUJFWSA-N 401.359 1.891 30 10 HDEE CCC1(O)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282333410 OCLHYWIRXMSJOM-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@H](C)S1 2282335414 PJDMXHGDBFBBET-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE CS[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282508561 XXVOVSVUXPJNOV-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NC[C@H]2CCCCS2(=O)=O)OC1(C)C 2282522105 GIJPPUVEDZSYBT-LLVKDONJSA-N 400.331 1.139 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@H](C)[C@@H]1C 2282834155 QBBXDWWTMLJXQW-NEPJUHHUSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@H](N)CC3)s2)OC1(C)C 2282856642 VZWIRPAUFBHYSQ-JOCQHMNTSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H](CO)C2)OC1(C)C 2282862879 JTLCQQXTUHFSRI-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CC[C@@H]2O)OC1(C)C 2282878918 MBDRDVPLLIPKIJ-RISCZKNCSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@]2(C)C(=O)O)OC1(C)C 2284401011 ZSUVTAKGBKPZGQ-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CN(CC[C@H]1CCO1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2296039965 FSMUPJBMXYWULG-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)C1=C(O)c1ccc(F)cc1 2297747840 VXRJVNSRAQFJCD-IBGZPJMESA-N 411.433 1.975 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2342052901 WEEKTNPFXXOBKS-OLZOCXBDSA-N 400.522 1.520 30 10 HDEE CCCN[C@H](C#CC(C)(C)OC)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363522853 ARETYEZBGKYQED-CVEARBPZSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2COC[C@@H](C1)[C@@]2(O)C#CC(C)(C)S(C)(=O)=O 2365179278 NSVFEMUNDXCIDS-QREGMYRUSA-N 401.525 1.494 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](C[C@H]1CCCO1)NC(=O)OC(C)(C)C 2367795404 DSTPVUAIHUVCIP-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OC 2367798939 VXGSYSDCTRMDLK-ARFHVFGLSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367806471 KUOFDMIQCJYTCQ-JTOWHCCKSA-N 400.541 1.339 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)N2CC(C#N)C2)OC1(C)C 2369957346 DOSNHGJPWYAZAU-UHFFFAOYSA-N 417.749 1.490 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)[C@@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370299687 MRCTYFOUAWOEBE-MCIONIFRSA-N 400.412 1.827 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)N1C(=O)c2ccccc2C1=O 15742061 WGGYDGXIPKMULP-MRXNPFEDSA-N 402.454 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 27560337 SJEMLXUGWFYSRA-UHFFFAOYSA-N 413.547 1.977 30 10 HDEE Cn1c(=O)c2c(ncn2CC(=O)N2CCCS/C2=N/c2ccccc2)n(C)c1=O 96557862 WEXOBVPMWGAVFC-DYTRJAOYSA-N 412.475 1.087 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NCc3ccco3)o2)c1=O 101350940 QXENWPUMKYIXMP-UHFFFAOYSA-N 417.447 1.006 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 250378290 KBRPEVUHSTWCIL-LPHOPBHVSA-N 420.531 1.490 30 10 HDEE C#CCn1c(=NC(=O)COc2ccccc2)sc2cc(S(N)(=O)=O)ccc21 254419421 IWVGXKYFFNOITI-UHFFFAOYSA-N 401.469 1.490 30 10 HDEE C=C1C(=O)O[C@@H]2C/C(C)=C\CC/C(COC(C)=O)=C\[C@H](OC(=O)[C@@](C)(O)CO)[C@H]12 257353700 SQQDHMIYFXZFNM-JIUPLTNTSA-N 408.447 1.359 30 10 HDEE N#Cc1cnnc(-n2cnc(I)c2I)c1 306950648 ZQHWJBLWMDYRCS-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)[C@H](C)n4cnc(C#N)n4)CC3)n2)cc1 409588059 YLGXBPWWFVJOPC-AWEZNQCLSA-N 422.449 1.114 30 10 HDEE C[C@H](C(=O)NCCCNC(=O)c1cccc(Br)c1)n1cnc(C#N)n1 409620490 YBKNDPHJKAHIAC-LLVKDONJSA-N 405.256 1.410 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1)n1cnc(C#N)n1 409912570 ZKFRBVYZCPARFU-GDBMZVCRSA-N 414.491 1.094 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC1(CC#N)CC1 431188828 CFVLZMUFKDEGPR-UHFFFAOYSA-N 422.507 1.922 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2CCC(C#N)CC2)CC1 441004906 BPLDJHGRGJTCEE-UHFFFAOYSA-N 415.519 1.904 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCSC[C@@H]2CCO)c1C 442087265 QHEOIYOCGFJVQS-KRWDZBQOSA-N 413.503 1.626 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2cc(F)ccc2F)CC1 463346021 QGZPIHFNHDEZGV-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE COc1ccc(C[C@@H](CO)CNC(=O)c2cc(C#N)c(SC)nc2O)cc1O 475525352 WEAHZBFJDPKXCJ-GFCCVEGCSA-N 403.460 1.676 30 10 HDEE CS(=O)(=O)N1CCC[C@H](CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 484532648 PTVXDSHAPOAMBL-OAHLLOKOSA-N 419.507 1.600 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 487174351 QDNFTUUNMYBXHS-SFHVURJKSA-N 407.478 1.357 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccccc4)C3=O)C2=O)cc1 487493480 BMIAVVAPVVXXHK-VQTJNVASSA-N 417.469 1.764 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)CC1 504003367 RURGMWGNIITAQQ-QEXSLZOGSA-N 416.437 1.782 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC(C)(C#N)CC1 506047493 LZXFRLNAAIEBRO-CQSZACIVSA-N 408.524 1.898 30 10 HDEE C=C(C)COCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 508284513 FHTVYRIMBKWIDB-GOSISDBHSA-N 418.542 1.144 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 508495639 ANAPLWSAKJQSQG-MRXNPFEDSA-N 409.487 1.573 30 10 HDEE Cc1noc(CN2CCN(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 508675090 ICTZRFXJJKSJPI-GOSISDBHSA-N 423.477 1.273 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 508830216 XZCSJIBDSRQGQV-INIZCTEOSA-N 418.542 1.458 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 508847754 LKAKKZVVKLEOBB-BBRMVZONSA-N 422.559 1.199 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)CC1 512580272 AGDAIFZWPHHMKH-UHFFFAOYSA-N 406.870 1.084 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CC(=O)N(CCc3ccccc3F)C2=O)CC1 515646504 JMSPBLFWBFAQKE-LJQANCHMSA-N 407.449 1.585 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@H](c4nncn4C4CC4)C3)CC2)o1 540339645 RNDKLYPABYTMDK-MRXNPFEDSA-N 424.509 1.309 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 540702306 RIMOOHFMBYWZKT-ZWNOBZJWSA-N 406.240 1.894 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n1 544880866 POXKWYUPIABPHI-UHFFFAOYSA-N 422.533 1.870 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1C[C@H]1CCCO1 545209754 OZPDLVAPBZJJBQ-OAHLLOKOSA-N 417.918 1.300 30 10 HDEE COC[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 557249394 BMXDRJJBSHUZJJ-UXHICEINSA-N 420.469 1.674 30 10 HDEE CC(C)(C)c1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cn1 562188754 UDUFMINKCPZWIB-UHFFFAOYSA-N 413.503 1.792 30 10 HDEE C=CCn1c(Cc2noc(C(F)(F)C3CCOCC3)n2)nnc1N1CCOCC1 562896240 AKWYDTZLRQXHJS-UHFFFAOYSA-N 410.425 1.793 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)NCCOCC2CCC2)n1 564659303 GLYURHWUIIGVSG-UHFFFAOYSA-N 401.854 2.269 30 10 HDEE N#CC1(CS(=O)(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CCC1 570823871 SMENJHZAOAZPJY-UHFFFAOYSA-N 411.549 1.974 30 10 HDEE C#CCn1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c2ccccc2c1=O 585170489 HICVFLFZGDQKGT-MRXNPFEDSA-N 400.438 1.699 30 10 HDEE N#Cc1cccc(Cn2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)cc2=O)c1 586561570 YPOIYUCXPQLVAV-UHFFFAOYSA-N 422.466 1.346 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c(F)c1 586859605 CNKKWNFIEFUNSL-RTBURBONSA-N 402.470 1.198 30 10 HDEE C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 598930234 JNQDCRPPUHXPQW-HKUYNNGSSA-N 421.501 1.762 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 619833642 FTLLPAGIXQRQET-OAHLLOKOSA-N 420.495 1.947 30 10 HDEE CCC[C@@H](C#N)N1CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 703998853 GJUMVTVWLSCCAG-INIZCTEOSA-N 418.519 1.312 30 10 HDEE CCN(CC)[C@@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccsc1 732447834 AEJPBLJHCMLFEE-DVEDPGPFSA-N 405.524 1.957 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N([C@H](C)CS(C)(=O)=O)C1=O 733201541 LNEZHAZAYNTBLM-RISCZKNCSA-N 408.505 1.059 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCCO4)c2=O)cn1 735068261 GVRQZKGGFHQBRU-UHFFFAOYSA-N 419.466 1.303 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)c1cnc(N2CCCCC2)s1 741340525 DREHDNZWOJCXHM-ZCXUNETKSA-N 418.475 1.776 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCn2ccnn2)cc1 752522107 TYNGLBMVCPTVMV-PGMHBOJBSA-N 405.484 1.303 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCc2nc(-c3ccncc3)no2)CCCCC1 760405412 GDCIHRSOHQEQAQ-UHFFFAOYSA-N 403.464 1.984 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 766483314 UVNLSYFQFXSQQM-OALUTQOASA-N 418.515 1.684 30 10 HDEE N#Cc1ccnc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 766958658 YOFXITJDWIEPDG-AWEZNQCLSA-N 412.427 1.529 30 10 HDEE C=CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(OC)nc1 779756177 PODXVGHWIYCXEX-HNNXBMFYSA-N 404.492 1.893 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cc(Br)c1 780712945 AVMMOZXWNKNQTL-ZDUSSCGKSA-N 406.323 1.569 30 10 HDEE CCOc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)cc1 807932903 NAFBAKJFBWOJNV-OAHLLOKOSA-N 402.480 1.482 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 810099113 FDNDMQJPNWCMFC-QGZVFWFLSA-N 412.920 1.912 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 810585691 DQUWNLBPEAXDKB-HNNXBMFYSA-N 411.455 1.877 30 10 HDEE CN1C(=O)N(CC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C(=O)C12CCCCC2 812646260 KGPKTLRHUJTZSW-QGZVFWFLSA-N 424.457 1.804 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NS(=O)(=O)c2cncc(Br)c2)c1 815924825 JNTYJDOVFZKRQQ-UHFFFAOYSA-N 409.265 1.900 30 10 HDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3ccc([N+](=O)[O-])cc3)n2)CC1 1084191117 MKYUDLAATTYHGT-UHFFFAOYSA-N 404.456 1.025 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3)CC2)nc1 1125381988 FJWDJXCZRUYPBM-UHFFFAOYSA-N 406.421 1.924 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CCC(C)(C)C)C(=O)OC(C)(C)C)C1=O 1129125253 ZAVUNYYGMMCVBH-CYBMUJFWSA-N 409.483 1.616 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)C2(OC)CCOCC2)ccc1F 1129837214 MUASWQSFGDHJBY-ZDUSSCGKSA-N 400.472 1.604 30 10 HDEE CC(C)(C)N1CC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1131096244 SWPHIGWMQFFIBJ-SFHVURJKSA-N 418.563 1.948 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1134645233 DMTIXSILJNFNQE-SCLBCKFNSA-N 415.431 1.006 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N(C)S(=O)(=O)CC)CC1 1136725891 FJIRNVCBHITWRN-INIZCTEOSA-N 415.556 1.566 30 10 HDEE N#C[C@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1cccc(Br)c1 1151049962 FKXDMOHJLNNYEC-YPMHNXCESA-N 401.286 1.045 30 10 HDEE Cn1nnnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1159012316 PEDZTMLBIUSPGW-SHYRYGCCSA-N 403.487 1.046 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CCO1 1174653754 XYHSRAQYWJGXEG-MRXNPFEDSA-N 407.902 1.525 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)[C@H]1CCCO1 1189432112 ULNDWPQYJLYGKI-NWDGAFQWSA-N 402.266 1.695 30 10 HDEE C#CCN(CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl)CC(=O)OC(C)(C)C 1195876350 IGKSCUDSSPKDKS-UHFFFAOYSA-N 414.911 1.959 30 10 HDEE CNC(=O)c1ccc(CS(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1211463965 DWERIRKTGBJROU-HZPDHXFCSA-N 422.507 1.225 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1c(C(F)(F)F)cnn1C 1253638594 ORRWLSFCIRBZQX-NSHDSACASA-N 408.388 1.521 30 10 HDEE Cc1c(NC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc(Br)c1C#N 1276706334 OKPSLMSNLAGBHP-VDERGJSUSA-N 418.247 1.730 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCCC1 1286278727 PZOASYLWYIDXMP-HZPDHXFCSA-N 412.556 1.817 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@](C)(O)C1CC1 1286363484 SMMDQACPRWSECH-FQEVSTJZSA-N 416.551 1.777 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286391749 FYVSAERJAJGHCN-BRWVUGGUSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@H]1CCS(=O)(=O)C1 1286395049 YSGKVUWVKVJZOZ-CMKODMSKSA-N 418.563 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCc1cnn(C)n1 1286405043 ZQYUAXRBFUZZLV-UHFFFAOYSA-N 419.489 1.796 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ncn(C)n1 1286418207 CEOMBQIHCZJYBG-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1CC 1286421970 HUZBJICALHAFAF-NRFANRHFSA-N 411.510 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](F)COC)CC1 1286490826 TVSGSEZBHFEMEB-QGZVFWFLSA-N 414.485 1.599 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286785588 OQFZXTOEMWZLMU-NRFANRHFSA-N 414.510 1.360 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)C1 1286808621 MFEIPNLOOLTHHV-ZACQAIPSSA-N 405.499 1.206 30 10 HDEE Cc1ccoc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1289260897 YCYLKKDTIYMAPO-JXFKEZNVSA-N 401.467 1.997 30 10 HDEE N#C[C@]12CN(C(=O)CCc3ncc(-c4ccccc4F)o3)C[C@H]1CS(=O)(=O)C2 1289436945 RPIDTFKJASWTJK-ORAYPTAESA-N 403.435 1.810 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C1CC1)[C@@H](C)C(=O)OC(C)(C)C)c1cc[nH]n1 1299470176 HEFIPJPTBIVUMG-LBPRGKRZSA-N 408.455 1.415 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1300485171 YACZHAAQAFDLNB-HNNXBMFYSA-N 406.508 1.634 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CC1 1300559278 NFONIOOELOXNRK-ONOMSOESSA-N 418.563 1.693 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCc2cccnc21 1300664984 GEBKXYIJPBHXFH-QZTJIDSGSA-N 408.506 1.830 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2nncn2C)CC1 1300707747 IIZSEPUFRKIXJW-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)COC)CC1 1300892984 XDDVYFOXPGFTNJ-DYESRHJHSA-N 417.554 1.943 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1301222654 BWHAUBQWBNCSKY-INIZCTEOSA-N 417.539 1.263 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1303566284 DIAPIYSJIIENSC-KRWDZBQOSA-N 412.494 1.855 30 10 HDEE Cc1cc(C(=O)NCCc2nnc3n2CCNC3=O)c(C)n1-c1ccc(C#N)cc1 1303611675 SFDWWEOJBHTIIC-UHFFFAOYSA-N 403.446 1.273 30 10 HDEE C=CCCC[C@@H](NC(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C)C(=O)OC 1303685436 CMLJXNZOENYQJO-MRXNPFEDSA-N 405.495 1.617 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1306436908 PXBRXRAADCJQKB-RBSFLKMASA-N 419.507 1.697 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)no1 1313189592 ARSDJIPVWJQECU-GOSISDBHSA-N 408.462 1.288 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1316536029 AMBXSEQPGPKRFP-ZZEZOPTASA-N 420.477 1.930 30 10 HDEE C=CCO[C@H]1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)C1 1326595264 GAYQBJIUQMSLIF-ZWKOTPCHSA-N 403.479 1.791 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@H]1c1cccc(C)c1 1349462671 HGXLILMHCIGRFP-VQIMIIECSA-N 422.489 1.975 30 10 HDEE C=CCn1cc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCC(C)CC2)nn1 1356426587 DKHFXSLZKCSIEQ-UHFFFAOYSA-N 417.535 1.956 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1358873923 PXYUNIHLFAZHHN-OXJNMPFZSA-N 424.567 1.601 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1358909880 VKKLQGBISBJXTN-KRWDZBQOSA-N 419.493 1.676 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1358967419 KDDSCKDRRLOATJ-DLBZAZTESA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1cccc(C(N)=O)c1 1358968644 TZOPTLHEZHKDFP-UHFFFAOYSA-N 406.490 1.417 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359035765 DCMSTGNWPBSTDA-HSALFYBXSA-N 416.570 1.037 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1359209847 BGSOHCFMFGYCDT-OAHLLOKOSA-N 417.535 1.982 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C 1359306134 XHLINESRYKRIKU-UHFFFAOYSA-N 402.543 1.859 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)NC)C1 1359316751 VOECWUFZIBEAKN-SFHVURJKSA-N 419.551 1.838 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)OC(C)(C)C)C1 1359320787 VPNWJUWDTHVETQ-GJZGRUSLSA-N 420.514 1.535 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](COC)C1 1359342622 BNYUTYAATOJPLG-HOTGVXAUSA-N 414.597 1.962 30 10 HDEE Cc1cc(C(=O)N2CCN(CC#N)CC2)c(C)n1Cc1ccc(S(N)(=O)=O)cc1 1444358909 SGSKNOWFVQWKOC-UHFFFAOYSA-N 415.519 1.082 30 10 HDEE C=CC[C@H](NC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1447547765 DECLVZPZZYBSJT-POXGOYDTSA-N 416.540 1.759 30 10 HDEE C=CCn1cc(CNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)nn1 1451882401 SPKLWGYESVTZMX-MRXNPFEDSA-N 408.503 1.136 30 10 HDEE C[C@@H](CC(=O)N1CCC(O)(C2CCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1456629326 VVKAECYDXZIWCT-AWEZNQCLSA-N 405.520 1.657 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCO[C@H](c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1460858022 JRAOQAJVQUEPSH-VDGAXYAQSA-N 419.547 1.746 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC2(C(=O)OC)CCS(=O)(=O)CC2)cc1 1463588913 SCUOANPIEXVACQ-UHFFFAOYSA-N 401.506 1.204 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OC 1463855726 VTOKIYZYXFIERW-SNVBAGLBSA-N 404.238 1.064 30 10 HDEE C=C(C)CCC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 1463866052 XITCKRWILTVVNQ-UHFFFAOYSA-N 408.524 1.107 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 1468479019 IFTPIRHIOPYTJC-INIZCTEOSA-N 402.472 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CC[C@](O)(CC#N)C3)nn2)CC1 1469406383 TZWRGDVSNFACQA-FOIQADDNSA-N 418.498 1.731 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CSc2ccccc2O1 1469425013 ZFTKBXJLSXBCSE-HIFRSBDPSA-N 417.512 1.895 30 10 HDEE C#CCN(C)CCCNC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O 1470354467 WIAZHNWVNGRVHP-DTQAZKPQSA-N 401.492 1.372 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)cc2F)CC1 1471451527 VPILPOCTWLQTSS-UHFFFAOYSA-N 411.352 1.209 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCOc2ccc(F)c(Cl)c2)c1 1472564988 DLJFTUMFWQAKQH-UHFFFAOYSA-N 411.842 1.824 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CO)CCF)nnc12 1472592756 UNHQWHVSROAZSV-GFCCVEGCSA-N 405.455 1.159 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)NCCOc3ccc4c(c3)OCO4)CC2)cc1 1473726074 QXRFUNTUKATOEU-UHFFFAOYSA-N 408.458 1.604 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)cc1OC(F)F 1478368349 LICWKBWMXMOTDM-SECBINFHSA-N 423.351 1.889 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1503507751 SLEARIZBIDOFAA-CWFNNOHCSA-N 412.450 1.885 30 10 HDEE CN(CCN1CCOCC1)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1503619747 UCJXUISUOIBAON-UHFFFAOYSA-N 407.478 1.545 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1507548211 SJTBXVISOMJGHW-SOUVJXGZSA-N 404.515 1.595 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1507621978 DNNPIFGMWIJJPS-KRWDZBQOSA-N 404.540 1.623 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1507623344 VRJPTUDCOKPTAL-OAHLLOKOSA-N 400.483 1.454 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC)cc2)CC1 1507715490 BTRLQHRPHFRBFW-UHFFFAOYSA-N 422.533 1.716 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC[S@](=O)CC)CC1 1507717905 IYXRSSBXYSAOAR-MUUNZHRXSA-N 401.536 1.478 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1507752987 BLAVLHLOLQWVEJ-DLBZAZTESA-N 407.540 1.227 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC)CC1 1507797364 CXPGHVYQCQVKNV-JZXOWHBKSA-N 416.526 1.173 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1507968658 WNWQCPMYKTWZLB-KRWDZBQOSA-N 418.542 1.759 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1508336129 OWHPGQKBHSVKNA-UHFFFAOYSA-N 412.494 1.321 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](C)N2CCOCC2)cs1 1511545851 LSALAVCBPWAYAJ-WMLDXEAASA-N 417.539 1.083 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O 1527288557 HJABLJCRTOMIOF-IBGZPJMESA-N 406.442 1.674 30 10 HDEE CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)c1cc(C#N)ccn1 1529300786 RURVZLZOWHCBJP-UHFFFAOYSA-N 401.444 1.941 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)CC2=O)cc1Cl 1530034634 HJAXEIPBMMMXTE-WFASDCNBSA-N 402.838 1.664 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1533250225 DEDAPXXGAFAJRB-IBGZPJMESA-N 403.479 1.459 30 10 HDEE Cn1ccn2c(CNC(=O)c3cccc(OCc4ccccc4C#N)c3)nnc2c1=O 1533943037 GUJUMJXUVQWTBZ-UHFFFAOYSA-N 414.425 1.809 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCS(=O)(=O)c1ccccc1 1539257376 RLRHKOFIWOWNRQ-UHFFFAOYSA-N 407.499 1.830 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCOCC1 1539284021 DXAZMQSULVNTQV-UHFFFAOYSA-N 412.538 1.088 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@H]1C 1539337120 DUYPHNUWTNRTRB-RYLXDESZSA-N 402.495 1.005 30 10 HDEE C=C(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539715995 NVKGKVAOIFZTQL-QGZVFWFLSA-N 407.478 1.861 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1539819733 HOSOJYKHKLTHMD-CQSZACIVSA-N 402.890 1.944 30 10 HDEE CN(c1cccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)c1)S(C)(=O)=O 1539819839 SZYWFXZKVCHPFB-LJQANCHMSA-N 409.508 1.960 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CNC(C)=O)C1 1539990423 JOLNQJKIYMWCMQ-QGZVFWFLSA-N 413.478 1.981 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](CNC(N)=O)C3)CC2=O)cc1Cl 1540834634 HORJNMGZLCMHFV-TZMCWYRMSA-N 403.870 1.471 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1540875889 ASBDIMYRYWHKAS-BFYDXBDKSA-N 418.542 1.166 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1540878175 QEURLBMQOZOGBS-MRXNPFEDSA-N 421.505 1.959 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H](C#N)c2cccc(Br)c2)c(=O)nc1O 1545824094 KZIXPENVLTUCIW-CYBMUJFWSA-N 402.208 1.354 30 10 HDEE CCCN(C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1547100459 IDPYVVQHLSPTBB-MAUKXSAKSA-N 411.510 1.910 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)CC1=O 1555585213 WWRGDTFYACPKFR-KRWDZBQOSA-N 416.457 1.096 30 10 HDEE CCCN1CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1557648852 HSVBRENEMCLAFQ-DOTOQJQBSA-N 406.552 1.740 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@]23CCCC[C@]2(COC3)C1 1557667891 ROSTZMPKSHKDOC-CWFSZBLJSA-N 403.504 1.644 30 10 HDEE N#C[C@@H](CCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1558671101 GPKHLZVUXHOTJB-YJBCQJRQSA-N 403.504 1.086 30 10 HDEE COC(=O)c1ccc([C@H]2CCCCN2C(=O)CCn2cc(C#N)c(O)nc2=O)n1C 1558813749 HMSCRISBRNFVIX-OAHLLOKOSA-N 413.434 1.090 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NCC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1559026786 YEAHBOLKUPPCJQ-OAHLLOKOSA-N 416.381 1.861 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](NS(C)(=O)=O)C1)c1ccc(Br)cc1 1564999877 PKFYYJDKEVFGFJ-HUUCEWRRSA-N 414.325 1.847 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 1565103082 GEXHCBSDQSPZCM-IBGZPJMESA-N 401.486 1.782 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1565331329 CZLMDDPCAZLDLS-UHFFFAOYSA-N 421.501 1.911 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]nc2C(=O)OC(C)(C)C)c1 1570734952 MHYJELRYHOLGHX-UHFFFAOYSA-N 404.448 1.529 30 10 HDEE CN1CCN(C)[C@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1585926523 MDOQZZPVPDVPFR-MRXNPFEDSA-N 406.328 1.119 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCOCC1 1587808542 APSPXMWDMWAZOF-SFHVURJKSA-N 408.495 1.771 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(=O)NCC)cc1 1587905234 YGAISZVJPSZADR-UHFFFAOYSA-N 417.473 1.793 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588011575 FXTHZSOUJYPHHU-JOCHJYFZSA-N 404.474 1.809 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059372 MYIHCXYJXJIHDZ-RBUKOAKNSA-N 421.611 1.835 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1588262308 MMHNUCLQOBBTSN-UHFFFAOYSA-N 404.224 1.107 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC2([S@@](C)=O)CCC2)CC1 1588884935 OXNZOYCULWDLCF-GDLZYMKVSA-N 419.595 1.843 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccccc2F)C1 1589708355 JKGIATXOKNLZMV-IFXJQAMLSA-N 423.514 1.701 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)CC2)c(F)c1 1594790014 IXPGYVXFOJLNJR-IRXDYDNUSA-N 405.495 1.807 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(C2CC2)C1)C1CC1 1595020203 AKWGUXKHFNSYGN-LSDHHAIUSA-N 408.572 1.527 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1595544772 LCPOFKCTWBPHQD-CVEARBPZSA-N 415.498 1.550 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1595837700 BPESCCONEXHQSW-HNAYVOBHSA-N 409.556 1.720 30 10 HDEE C[C@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC(=O)Nc3ccc(C#N)cc31)C2=O 1596428357 FARUJBNNXXACAM-XMHCIUCPSA-N 423.473 1.980 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1 1597198590 DQVOKDCKWUFHQZ-QGZVFWFLSA-N 407.488 1.670 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1=O 1597903621 ZUEUFAMSQMIHAD-UHFFFAOYSA-N 403.398 1.463 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C3OCCO3)C2)s1 1611224474 UEYSIXSYUDEFAR-CYBMUJFWSA-N 400.522 1.366 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNC(=O)C1CCC1 1612599839 PJICZKCYRFANED-HNNXBMFYSA-N 423.525 1.270 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(S(C)(=O)=O)cc1 1614040794 FGXGCGUWLARBQD-HNNXBMFYSA-N 405.480 1.052 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@]21C 1616048888 OSGFHEYZWQHGNR-MCHRFJOXSA-N 418.461 1.997 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCC(C#N)CC1 1618845519 HBGKKRVVABVZBG-UHFFFAOYSA-N 418.523 1.167 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1619484972 HOXDBKNLWWPLEH-YKTARERQSA-N 424.571 1.833 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1619818276 XVTSERBSAXBYFL-GOSISDBHSA-N 409.494 1.799 30 10 HDEE C=CCOCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1622855607 UZAXSFDYPUBQKR-UHFFFAOYSA-N 413.496 1.430 30 10 HDEE CC(C)Cn1[nH]c(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cc1=O 1625336351 AGZMJCDKBROPMY-UHFFFAOYSA-N 421.505 1.763 30 10 HDEE C#CCN(CC(=O)NC[C@@](C)(O)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 1625489547 UIXPOTNRULYXPU-QFIPXVFZSA-N 420.506 1.984 30 10 HDEE C#CCN(CC(=O)NCC1(N2CCOCC2)CC(OCC)C1)C(=O)OC(C)(C)C 1626560624 YDVLCHFIECGNDP-UHFFFAOYSA-N 409.527 1.243 30 10 HDEE N#C[C@]12CN(C(=O)C3CCC(NC(=O)CC4CCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1627137294 UTMNYSBEDZRMCB-RAVMWGBXSA-N 421.563 1.638 30 10 HDEE C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1629140557 GCEPWFWABUEJBA-CYBMUJFWSA-N 412.471 1.485 30 10 HDEE Cc1ccc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1S(=O)(=O)NCC#N 1629813675 YEVBMWLYZGSYJC-SFHVURJKSA-N 414.443 1.274 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@]1(C)COc2ccccc2O1)c1cc[nH]n1 1630344554 QPPFTOTZFPFCGJ-LJQANCHMSA-N 402.407 1.040 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3CN([C@@H]4CCOC4)C3)c(C#N)c2N)cc1 1630467590 SAEUCEMWWACUOM-GOSISDBHSA-N 408.506 1.404 30 10 HDEE C#CC1(O)CCN(C(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 1633559970 QXTPHGWIFRETSA-UHFFFAOYSA-N 404.532 1.357 30 10 HDEE C[C@H](O)C[C@@H]1COCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633711180 UVYPKDORGHWLFI-SQDOKRSFSA-N 407.511 1.772 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OCC)c1 1634288305 PJGGKDCKTPVNJF-WBVHZDCISA-N 410.492 1.382 30 10 HDEE Cn1nc2c(cc1=O)CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1634728246 AMGXRSNEAQEHEP-MRXNPFEDSA-N 403.483 1.642 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CC2(C1)OCCO2 1637656333 ICAOECURPNIOGQ-MRXNPFEDSA-N 421.519 1.553 30 10 HDEE CC(=O)C[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638421349 QTCBGVPTPGHTTK-INIZCTEOSA-N 406.280 1.963 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@H]1c1cccc(F)c1 1640542525 WPGIKDWJGGBRPA-INIZCTEOSA-N 403.435 1.464 30 10 HDEE N#Cc1c(NC(=O)CCN2CCO[C@]3(CCS(=O)(=O)C3)C2)sc2c1CCC2 1643574024 ZYNATYPWDGYAKL-GOSISDBHSA-N 409.533 1.327 30 10 HDEE N#CCCNC(=O)Cn1cnc2c(I)cc(F)cc2c1=O 1644022223 ROBHIXARRMYTEB-UHFFFAOYSA-N 400.151 1.170 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3C[C@@H]4COC[C@@H]4O3)C2)C1 1644321935 VOIDNUZYOGRYQH-JDVMUXKQSA-N 405.495 1.693 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc2c(c1)OCCO2 1648369771 QWJUWVUDEMQYOW-HNNXBMFYSA-N 417.462 1.819 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N(C)CC)C1 1649114066 DNADPISXQDBZFY-RDJZCZTQSA-N 406.552 1.837 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)C1 1651805462 KWGGMEMEGBWJLN-ZDUSSCGKSA-N 403.826 1.967 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)Cn2c(C#N)nc(C)c2C)CC1 1652129730 JPDXQOOOPDCKBC-UHFFFAOYSA-N 408.506 1.717 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CC[C@H](O)[C@H](O)CC3)C2)C1 1652215616 DEJJXTQCEJNJED-VUXURMMHSA-N 407.511 1.554 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CCO)[C@@H](CO)C2)n(-c2ccc(F)cc2)c1C 1655898434 JQYRYWMLONUZIX-IAGOWNOFSA-N 414.481 1.966 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)C1 1664135095 JAFDVGJWFRURJI-WOJBJXKFSA-N 419.547 1.805 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1670631487 HRFPXOKSHRGMTR-LJQANCHMSA-N 407.536 1.840 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC(C)C)C1 1672489816 PXVZLJGTGLQLJA-UHFFFAOYSA-N 409.508 1.716 30 10 HDEE COc1ccc(CNC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)cc1C#N 1675571956 SUIVQTKTFSQPHB-UHFFFAOYSA-N 404.467 1.738 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc(C(F)(F)F)cs1 1681852583 XJWFMANAXAIYIE-RVBZMBCESA-N 408.427 1.803 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1686083884 FFAQWAWZLJBCBC-MIALQEHNSA-N 413.522 1.851 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)c(OC)c1 1689827060 ZDRKYOMCMLGYJL-GJZGRUSLSA-N 405.524 1.712 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1nnn(C)n1 1690038508 RXQCHYCOMRLFLS-UHFFFAOYSA-N 410.869 1.642 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCCS1(=O)=O 1690106113 KOFUGLLYGZLHRZ-KRWDZBQOSA-N 422.576 1.984 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCCN2CCC[C@H]2CO)CC1 1690134800 GJRBXETYQVJBJI-VQTJNVASSA-N 416.570 1.122 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CCn1cncn1 1690211346 YXYPXFGXBQSQAK-LJQANCHMSA-N 410.507 1.553 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(OC)c1 1690512316 ULKVTVAWBPDVQK-UHFFFAOYSA-N 400.483 1.477 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690721146 YURQTLAYOUNPGP-LSDHHAIUSA-N 419.463 1.055 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1692696067 DOBTWCPDZMGODK-QFBILLFUSA-N 407.478 1.266 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)CCOC 1696990492 HYYJDAYSRPVXAK-FQEVSTJZSA-N 400.483 1.177 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705529263 CDKGIVAVUBMPAA-UHFFFAOYSA-N 404.540 1.463 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1705533277 WTKSIYAOIQIOPR-DLBZAZTESA-N 409.556 1.351 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1ccnc1C 1705550020 QUFBRVSTBSBCAX-UHFFFAOYSA-N 416.489 1.949 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1705602798 CPUVZTGFJAZPEE-HNNXBMFYSA-N 412.460 1.858 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1705662485 ZZMSNAIYEMOLKA-HZPDHXFCSA-N 407.540 1.863 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705948570 XOOPGJQVJPOHBV-HZPDHXFCSA-N 409.556 1.560 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@](C)=O)CC1 1706316262 QRBBZDBHVBSYMI-LJAQVGFWSA-N 413.551 1.906 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1706798346 BXKXUTDRRIOOCS-FUHWJXTLSA-N 410.526 1.325 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1707909708 DESHTJCAKQUECM-GOSISDBHSA-N 414.535 1.752 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccncc3)nnc2N2CCC(CC(N)=O)CC2)o1 1712880829 HXCSUKPOVJVZNN-UHFFFAOYSA-N 405.462 1.869 30 10 HDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722368666 ULEIBHKQWYSYNM-CRAIPNDOSA-N 416.503 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC(F)(F)CO1 1722403276 OFRNBUMDGWUWSG-BBWFWOEESA-N 408.449 1.889 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1722437374 SETAGLNWQMGANU-UHFFFAOYSA-N 407.584 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCNC(=O)C2CCC2)CC1 1722447213 GMMOTTXDLVCOFT-UHFFFAOYSA-N 412.538 1.428 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCC[C@H]2C)C1 1722709815 YZVXSGMVCVKDSP-CBGDNZLLSA-N 403.527 1.847 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](OCCOC)C2)nnc1C(C)(C)C 1722731480 LXTCFTCYGBBTNX-INIZCTEOSA-N 414.572 1.808 30 10 HDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1730371200 DTLRMUIEKJVFRX-SFHVURJKSA-N 408.466 1.636 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1cn[nH]c1 1730871116 TWYUJXTVPCAFSK-YJBOKZPZSA-N 414.514 1.144 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1740565297 QXJXFZJWZDYDFK-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cc(C)no1 1740602642 QHMFMPZOTPMGKA-UHFFFAOYSA-N 414.491 1.610 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740622472 YOGAQGVRJWYAHU-HNAYVOBHSA-N 405.524 1.451 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1740661651 HAPDMCCFSDFCJU-DOTOQJQBSA-N 416.551 1.863 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740864095 JNBNNYHOZZXMEP-OALUTQOASA-N 416.570 1.881 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(CN2CCOCC2)CC1 1740958940 XJFUVKPZRJHARP-UHFFFAOYSA-N 402.543 1.396 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1741804633 GSOVOYRVLXPVGT-MGPUTAFESA-N 402.474 1.801 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(CCCO)CC2)C1 1748050721 HPPRFPWGBMYIPT-HSZRJFAPSA-N 424.549 1.872 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCC1 1748666150 ZACJQENUXLBVPH-HNNXBMFYSA-N 406.490 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CC(=O)NCC(F)F 1748679734 IKYMIBRQWOOOBP-AWEZNQCLSA-N 405.449 1.911 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748739763 HQYWWGPPGHWLIW-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(S(C)(=O)=O)cc1 1748802738 SAMKTJYHFHNTOO-WMZOPIPTSA-N 418.519 1.523 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1748825051 OACVHOVCDJMQCT-RTBURBONSA-N 412.538 1.086 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1748906824 YQDKHUVGRXORRW-ZDUSSCGKSA-N 410.569 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCOC(F)F)CC1 1749001556 WKXOXUMUPSKBRM-HOTGVXAUSA-N 413.469 1.387 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CCO1 1749554272 CSZBAMKUPQYTLN-IBGZPJMESA-N 407.478 1.645 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](C)O[C@H](C)C1 1749666688 PWQJWWMVWLQYAR-ZIAGYGMSSA-N 423.477 1.510 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1751095245 BJXIKIBLBDNFBL-NVXWUHKLSA-N 402.524 1.970 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](CC(C)C)OC)CC1 1759988423 IDQZQMKIDIHQSM-BCRJPVCJSA-N 402.535 1.924 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1760157417 ONSDEFHRGNNGFB-QGZVFWFLSA-N 414.554 1.945 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CC[C@H](C(F)F)N1CCOCC1 1760173897 DSJBTPBHXBELPG-QGZVFWFLSA-N 404.465 1.689 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NCCC 1760201481 DHWYISKOQKJGNY-UHFFFAOYSA-N 417.473 1.583 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1760255240 WNAICOZPERCLGV-IERDGZPVSA-N 415.925 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1760268330 QALVRQJGYCCEGY-HXOBKFHXSA-N 422.533 1.857 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1761479706 QUWDEDGSRPYJOY-MJBXVCDLSA-N 406.512 1.884 30 10 HDEE CCCN1CCC(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CC1 1764424217 XVDDEVZGOOPPJC-OAQYLSRUSA-N 417.533 1.964 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN(CC)C(C)C)CCOC1 1767481104 AMVPCOCFNXYYGH-YLJYHZDGSA-N 406.531 1.389 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCCO2)C1 1770728255 RBSJDGZNWOJQJS-OXJNMPFZSA-N 420.489 1.542 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cnccn2)nnc1N1CCC(F)(F)C1 1770833173 OOZIXYUQHGEOKQ-JQIJEIRASA-N 416.392 1.107 30 10 HDEE C#CCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851600927 OOSVXXSALIXQRI-LJQANCHMSA-N 400.456 1.791 30 10 HDEE N#C[C@H]1CC(=O)N(C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 1853324063 WYJYOTCHEPWHRV-LLVKDONJSA-N 415.803 1.774 30 10 HDEE CN1CCN(C2CCN([C@@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)C1=O 1853727371 CBSJQPRSXFBUMM-LJQANCHMSA-N 409.490 1.521 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)C(=O)C12CCCC2 1854506181 WGWUKJCFRYIZKM-INIZCTEOSA-N 407.478 1.952 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1 1854626656 KFOWZXOGSBDPQA-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cncc(N(C)C)c2)CCN1CC(=O)c1ccc(C#N)cc1 1855141129 DODIWVOUNVJOJG-OAHLLOKOSA-N 405.458 1.575 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(Cl)ccn3)C2)CC1 1855889081 OFNUZOQYDPHROQ-OAHLLOKOSA-N 424.892 1.813 30 10 HDEE Cc1nnc(CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)n1C 1856032265 JCKBPPAATZNZTP-LJQANCHMSA-N 406.490 1.896 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(CCOc3ccc(C)nn3)CC2)CC1=O 1856073706 DVDJDIYAABJMJY-SFHVURJKSA-N 401.511 1.123 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC4(CC3)CCS(=O)(=O)C4)CC2=O)cc1 1856331591 XUJUDIOGFVAKFE-KRWDZBQOSA-N 415.515 1.448 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(Cc3nnc(C4CCOCC4)o3)CC2=O)cc1 1856629085 CPGMQELXLPFLLI-UHFFFAOYSA-N 409.446 1.249 30 10 HDEE N#Cc1ccc(OCCN2CC[C@@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)cc1 1856701048 VKSWAKDWBLPUEK-MRXNPFEDSA-N 424.423 1.635 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1=O 1856749217 YFESFZYSRUBAJQ-MOPGFXCFSA-N 409.490 1.273 30 10 HDEE CN(C)c1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857026308 JMEGLYVROBVWIX-KRWDZBQOSA-N 418.519 1.307 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)C1(C)C 1857086514 PWPCMXQTMXDGEB-INIZCTEOSA-N 401.511 1.022 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(C(C)=O)s2)C1)[C@@H]1CCN(C)C1=O 1857263819 JIYLKANNRLXCQW-HUUCEWRRSA-N 403.504 1.658 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@@H](C(=O)Nc3ccccc3C#N)C2)CC1 1858384745 LSZJPHBRICVMNF-MRXNPFEDSA-N 404.492 1.017 30 10 HDEE CC(C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869926882 IANDVAJMLQFVLO-LJQANCHMSA-N 415.515 1.771 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1908254980 YNUKKVZTUOLWHF-XFMPKHEZSA-N 423.319 1.306 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 1988011871 CKCJFPIOPGCFSS-APWZRJJASA-N 417.506 1.741 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1990026089 XYVOJLISTAPKRQ-IHRRRGAJSA-N 410.320 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNS(=O)(=O)c2ccc(C#N)s2)C1 2136616519 AIEAOAZAGHFKCC-INIZCTEOSA-N 401.510 1.660 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174779555 KOBHVKQHJYVFER-CABCVRRESA-N 400.545 1.949 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC12CC(CNC(=O)OC(C)(C)C)(C1)O[C@@H]2C 2174787595 VUAQAXLMMGRRPZ-LHVTWPBJSA-N 401.529 1.916 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2243383005 WAYGIHURQUDLIS-HUUCEWRRSA-N 406.288 1.468 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)[C@@H]21 2243697199 HHVCIXXTWCJJCT-SOUVJXGZSA-N 406.288 1.372 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@H]2COC[C@H]21 2247804224 IVIDURNDMKHLFN-HRCADAONSA-N 420.315 1.762 30 10 HDEE C[C@@H](CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247936265 XYDIIXPNCNVONA-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CCn1cc(C(=O)NC[C@H](C)CC2(C)OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282039197 RJLPOGNEJYSLJJ-CQSZACIVSA-N 407.320 1.721 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282205943 YGRBMEIOBBKCJK-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE C[C@H]1C[C@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342474 HXJINFRGCXWRKR-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@]1(C)CCN1 2282408227 GLACUSDQYLZTAS-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE COC[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1=O 2282503294 XWGYZLTWCRKXEJ-NSHDSACASA-N 401.315 1.231 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505472 DZORQWBSGQPSLA-RUZDIDTESA-N 423.387 1.621 30 10 HDEE CON1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282505680 HIMWMTNGQCUADW-UHFFFAOYSA-N 402.347 1.056 30 10 HDEE CC1(C)C[C@@H](O)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282511140 KEOPYOSPHXOMQA-LLVKDONJSA-N 402.347 1.117 30 10 HDEE Cc1sc(C(=O)N(C)CCS(C)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2282661256 KVTHKYDOPWWJTN-UHFFFAOYSA-N 401.359 1.781 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(CCO)CCCN)cc2Cl)OC1(C)C 2282829202 BEMCZWGKJJMIJL-UHFFFAOYSA-N 424.781 1.033 30 10 HDEE CCOC(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282835049 ZUSVWJVILGNIGY-UHFFFAOYSA-N 423.749 1.932 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CC1(F)F 2282839458 DPFMVQCLIWQICS-ZJUUUORDSA-N 408.301 1.905 30 10 HDEE COc1cc(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)sn1 2282858354 VVQRVYNUNWEJAS-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCCC(N)=O)c1B1OC(C)(C)C(C)(C)O1 2282872645 ZSKMFUPJAXUYQK-UHFFFAOYSA-N 402.347 1.208 30 10 HDEE CO[C@H]1CC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883130 WHAAKYOJEATPTI-KBPBESRZSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@](C)(C(=O)O)C(F)F)OC1(C)C 2284410188 SGWYNMLAEWZLNK-CQSZACIVSA-N 411.257 1.434 30 10 HDEE C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415563 YKWVUWJFQAUOPN-JQWIXIFHSA-N 401.315 1.674 30 10 HDEE CN=c1nc(NN=Cc2ccc(OC(C)=O)c(OC)c2)[nH]c(=Nc2ccccc2)[nH]1 2297604851 MQFCOGKHWSLCKC-UHFFFAOYSA-N 407.434 1.881 30 10 HDEE C#CCO[C@@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338817461 PWSRNFRGBAETBU-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365170049 GPIMJDJMDCNCLM-HBCWATKFSA-N 401.525 1.636 30 10 HDEE COCC[C@@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365206573 HOBJSLHFEXCNBN-KXBFYZLASA-N 402.557 1.804 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2365211017 KGRNTHTWOIOGMV-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CO[C@@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367785284 RFFXVZWWDITFGI-KXBFYZLASA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOC[C@H]1NC(=O)OC(C)(C)C 2367807020 PGBOYROYFZGRCZ-BZUAXINKSA-N 400.541 1.475 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](C(=O)O)C[C@@H](P(C)(C)=O)C1)C(=O)OC(C)(C)C 2370208265 UOYMXYJWFFPPMN-UONOGXRCSA-N 400.412 1.781 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2373187299 SWVUTCIEWSDLEI-KSSFIOAISA-N 402.513 1.516 30 10 HDEE Cc1ccccc1CNC(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 15445523 MVNBMQCBVPCCKU-UHFFFAOYSA-N 412.515 1.489 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)CC1 54709685 XBAZKWCUJXNAJW-UHFFFAOYSA-N 418.444 1.999 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)cc1Br 56125081 ZNXRHWFJXAJQKR-LBPRGKRZSA-N 406.323 1.569 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2[nH]c3ccccc3c2Br)CC1 57194379 CAIJZUKTKCPGFZ-UHFFFAOYSA-N 405.296 1.990 30 10 HDEE CCNC(=O)CCSc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820636 JGTJUHNBWVGADE-CAOOACKPSA-N 409.428 1.491 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254697050 JSHANEVQVKNTMY-KBPBESRZSA-N 410.473 1.355 30 10 HDEE C=CCN1C(=O)N(CCN2CCN(C(=O)C3CCC3)CC2)C(=O)[C@H]1Cc1ccccc1 431338693 UQEBFLCWIAGUPZ-OAQYLSRUSA-N 424.545 1.992 30 10 HDEE COc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2O)ccc1C#N 436569233 BNELLZVNKWPQJK-UHFFFAOYSA-N 415.471 1.987 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H]1CCN(c2sccc2C#N)C1=O 441215324 BRWHMBHHOOZOKK-ZSAUSMIDSA-N 403.460 1.150 30 10 HDEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461276522 LKWIJAXGNCICKX-SFHVURJKSA-N 417.408 1.996 30 10 HDEE CN1[C@H]2CCC[C@H]1CC(NC(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 463914426 GPVHWVBTCKXCKS-GBESFXJTSA-N 409.490 1.895 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H](O)Cc3ccccc3)CC2)cc1 485463731 IQJUSHCUBDDCRA-LJQANCHMSA-N 413.499 1.385 30 10 HDEE N#Cc1cccc([C@H]2CN(S(=O)(=O)C3CN(C(=O)c4ccccc4)C3)CCO2)c1 501477361 YLOUGPBQGCRGBV-HXUWFJFHSA-N 411.483 1.786 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCNS(=O)(=O)c3cccnc3)CC2)cc1 505123826 HPLPRHLSPXILNH-UHFFFAOYSA-N 414.487 1.692 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)C1 507836301 ZXXDNEVXICZKCB-QFIPXVFZSA-N 414.550 1.874 30 10 HDEE C=CCn1c(CCC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 508815859 DTSDIGNRBOQUQE-QGZVFWFLSA-N 411.572 1.684 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H]2CC[C@H](C1)O2 508865220 UAVCMSVLWHXJST-IYBDPMFKSA-N 403.508 1.749 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 509218122 NHGMHBPQAKMGRQ-INIZCTEOSA-N 401.510 1.020 30 10 HDEE COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 509277540 CIICNFJWLIWNNY-UHFFFAOYSA-N 400.460 1.246 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 510962107 NBPHGOZTVCAOJP-HNNXBMFYSA-N 417.487 1.255 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cn1 511358524 FYXOTZHAECULPJ-UHFFFAOYSA-N 408.462 1.859 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 515160181 OGPRSQLGBWEZNQ-OAHLLOKOSA-N 409.533 1.398 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 532828987 RHKQMPKUMYTNDH-ZDUSSCGKSA-N 403.501 1.400 30 10 HDEE CS(=O)(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 534335876 LJWHRELWBPEWKH-UHFFFAOYSA-N 419.528 1.468 30 10 HDEE CNC(=O)Cn1cc(NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cn1 540087620 WAJBVHLSXGBROW-UHFFFAOYSA-N 409.450 1.383 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c(F)c1 540931731 RCKHUQUROQKTKX-UHFFFAOYSA-N 421.475 1.463 30 10 HDEE CS(=O)(=O)Cc1ccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 545467110 LJULDIFJFCZKDN-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE COC(=O)c1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 566537990 NAGRNVJZKMXLKK-IBGZPJMESA-N 406.442 1.945 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)c(F)c1 585693607 URGWRUUKAXFOOT-FQEVSTJZSA-N 410.449 1.503 30 10 HDEE CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 619569790 TZUAIMSMVRAWKD-IBGZPJMESA-N 405.458 1.806 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2ccncc2Br)c1=O 702865549 IFXHFEHXPUQMBT-UHFFFAOYSA-N 402.046 1.911 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)CC1 728863147 DKECPGBOZHHYJX-IBGZPJMESA-N 416.497 1.638 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)[C@H]2CSCN2C(=O)C2CCCC2)c1 730314672 KGOISFQLVWCPFM-QGZVFWFLSA-N 401.488 1.809 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465208 DTGUVAGVAYCYOE-VXPUYCOJSA-N 410.478 1.158 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC)c2)c1=O 732563394 XAFLLCMDKAEDCQ-UHFFFAOYSA-N 400.504 1.035 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 734291568 UJCZFNLEDUGFOP-MRXNPFEDSA-N 417.512 1.967 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)OCC(=O)N=c1cc[nH]n1[C@H](C)C1CC1 744589255 BPPWQCLIASMKCF-CQSZACIVSA-N 411.462 1.980 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)NCc2ccc(OC)c(C#N)c2)CC1 746921035 GCIHIKMPWXETAL-UHFFFAOYSA-N 403.479 1.521 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)c1nc[nH]n1 756107481 BIROAZXPDBSSHU-GOSISDBHSA-N 424.486 1.529 30 10 HDEE Cc1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c(=O)[nH]c1C 758003153 LWWVPVHYIDCJQK-JCMHNJIXSA-N 403.464 1.452 30 10 HDEE CCCCS(=O)(=O)NCC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 760689128 AOTQRRVIFJXIFH-NSHDSACASA-N 413.521 1.698 30 10 HDEE COC(=O)Nc1ccc(CNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1 760910178 CDKCUSDAVSDDKO-UHFFFAOYSA-N 408.462 1.570 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 779358618 XGLQSHUODVPZGK-YQTDRKPDSA-N 406.483 1.665 30 10 HDEE COc1cc(Br)ccc1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 779569696 HLUGTXNUOSCHGC-FOCLMDBBSA-N 423.267 1.783 30 10 HDEE C#CCCCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 780841563 IPMGFTYUFYDWGY-GOSISDBHSA-N 400.527 1.355 30 10 HDEE C=CC[C@]1(C(=O)NCCS(=O)(=O)NC(C)C)CCCN1C(=O)OC(C)(C)C 790536128 ZDUYCWPCMUOWNA-GOSISDBHSA-N 403.545 1.776 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2cnn(C)n2)C1=O 807931560 UTRNBSIQGXKSLA-MRXNPFEDSA-N 415.523 1.015 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cccc(C(F)(F)F)n2)cc1 814419235 RMVBPXUWQLLQBT-UHFFFAOYSA-N 411.405 1.984 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](c1nccs1)C(F)(F)F 818320953 BQICAMMNEQUHFK-NSHDSACASA-N 404.395 1.601 30 10 HDEE Cc1oc(NC(=O)COC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c(C#N)c1C 823790201 XMXTYYQFFHBCQE-UHFFFAOYSA-N 416.434 1.847 30 10 HDEE C=C1[C@@H](C(=O)NCc2ccc3c(c2)OCO3)[C@H]1C(=O)NCc1ccc2c(c1)OCO2 864780395 SXTWLMSWQBKDBB-BGYRXZFFSA-N 408.410 1.879 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 915095705 RLXVMUIGWBKSNE-KRWDZBQOSA-N 403.460 1.351 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2)nc1 1129338686 KYTRMLLYXPBDJP-SFHVURJKSA-N 401.426 1.857 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)n[nH]2)c1C 1136382101 XFHSWNMLDXIXPB-CQSZACIVSA-N 406.512 1.230 30 10 HDEE C=CCCOCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1138032553 JQKUNXWNBVMJJU-OAGGEKHMSA-N 416.540 1.366 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(C3CCOCC3)CC2)c1 1146833507 ONXRTPPLMHKFKV-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1154274899 SMYKVPXMNKIDAO-CHWSQXEVSA-N 409.936 1.420 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)c1C#N 1160493817 NYIWBZDAZFBSRU-UHFFFAOYSA-N 415.397 1.979 30 10 HDEE Cn1c(=O)[nH]c(N2[C@H]3CC[C@H]2CC(O)(Cc2ccc(F)cc2F)C3)c(C#N)c1=O 1162966652 BNZHMHMFSYUZPD-KBPBESRZSA-N 402.401 1.328 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2Cc3ccc(C#N)cc3C2)C1 1163382487 IJXHNDGHFWGGAT-KRWDZBQOSA-N 419.503 1.825 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 1171919774 IWJXIWIQRDXGKE-NRFANRHFSA-N 410.430 1.043 30 10 HDEE Cn1nccc1CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 1176960447 YYPVTRLSVPXMKR-UHFFFAOYSA-N 404.478 1.234 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@@]2(O)CCS(=O)(=O)C2)n1 1216134380 FWFOVPGHRZRTMY-INIZCTEOSA-N 409.855 1.068 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 1221490522 GDJUQIIFUAKLOR-LJQANCHMSA-N 405.520 1.699 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1233926884 AANHNHIXTQONKL-LZLYRXPVSA-N 404.511 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)CN1CCOCC1 1286304379 HZKMFTDQDISPOG-YRXWBPOGSA-N 405.543 1.428 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2nccn2C(F)F)CC1 1286482615 UQXVKLGQNWNCGP-UHFFFAOYSA-N 412.448 1.659 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC(C)(C)O)CC1 1286483912 CWFNJGDIPGDYOB-UHFFFAOYSA-N 413.522 1.782 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@]2(CCOC2)C1 1286512028 QIEVCNJSPNZZHG-FQEVSTJZSA-N 416.551 1.502 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286705319 XMKFZGMJPOASIL-FUHWJXTLSA-N 402.543 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1286783464 RTBMILCVAOFRAW-ZDUSSCGKSA-N 404.902 1.719 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H]1CCCOC1 1286789048 ABLMVFDTHCOGQE-HNNXBMFYSA-N 404.540 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC(=O)N(C)C[C@H]1C 1286816231 JLCHWZJHCNGQPK-CYBMUJFWSA-N 407.496 1.114 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@H](CC(N)=O)C1 1286821960 DVZDAOKQYPNGEI-QGZVFWFLSA-N 423.583 1.703 30 10 HDEE CC[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1293393417 XVLOMKZVJOFVKK-LZICOFPGSA-N 422.493 1.888 30 10 HDEE Cn1cc([C@H]2CN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC23CCOCC3)cn1 1298163950 KTEXXINVHKIYFQ-DVSFIDLUSA-N 413.478 1.059 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1CCC(=O)NC 1300449763 XJVRHDUUJONUCS-UHFFFAOYSA-N 406.284 1.922 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1300502485 VPYXENRIRFCHON-WBVHZDCISA-N 421.567 1.162 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)C)nc1 1300579812 XCOJDYGDEKAUOM-SFHVURJKSA-N 406.490 1.923 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC(=O)NCCC)CC1 1300731715 HCJNLEQIYMZUEV-QGZVFWFLSA-N 416.526 1.012 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1300843246 FHSGWQUDSNXXDC-OLZOCXBDSA-N 414.304 1.032 30 10 HDEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)N1CCCCCC1 1302295075 HYFLYZCKROWOSN-UHFFFAOYSA-N 407.536 1.555 30 10 HDEE CO[C@@H]1CCCN(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1303798543 ULPDYZZKUDCAFH-OAHLLOKOSA-N 408.524 1.428 30 10 HDEE CC1(C)CCC[C@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1303956743 FVUMXISBNFYHTO-UXHICEINSA-N 404.490 1.897 30 10 HDEE N#Cc1cccc(NC(=O)CN2CCn3ncc(I)c3C2)c1 1308096818 JIJNPXXLZRSIML-UHFFFAOYSA-N 407.215 1.814 30 10 HDEE C#C[C@H](NC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)c1ccc(Cl)cc1F 1312945248 YBNUVHKIVOUNFM-HNNXBMFYSA-N 404.833 1.891 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCCC23OCCO3)nn(-c2ccccc2)c1N 1313190716 GNCVNQKXJRAOKW-GOSISDBHSA-N 410.478 1.854 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1314815456 KMPZAXXFFULCTB-RMYFCYLKSA-N 411.466 1.272 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)cc1 1321162559 OYBUYMRVMILFRI-JOCHJYFZSA-N 421.457 1.979 30 10 HDEE COCCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cn1 1355743236 DSEIFLXDWGKWQY-RELWKKBWSA-N 419.507 1.985 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccoc2C)CC1 1358928229 XAFKKCLIHHOTKK-SFHVURJKSA-N 424.505 1.943 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358967481 LFLOLSXPAZRTRS-KSZLIROESA-N 424.567 1.647 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@H](C)C(=O)NC 1359097590 QSFJOJCWFCTQMP-ZOBUZTSGSA-N 401.515 1.478 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C1CC1 1359233907 VHYTWWWKRRJMMQ-FQEVSTJZSA-N 419.551 1.979 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCOCC1 1359258184 JDVZDSMGHYOMKQ-GOSISDBHSA-N 411.506 1.963 30 10 HDEE C=CCSCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1359346571 OPHVDEMOUCCIQY-UXHICEINSA-N 423.583 1.940 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3)n2Cc2ccc(C#N)o2)CCO1 1359447620 ZCPDMQBIDNNYPA-LJQANCHMSA-N 406.446 1.799 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)C1 1360038667 GVJLXUANTQXDEX-IXDOHACOSA-N 403.531 1.324 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OCC 1438908157 MMPXZEBXEHVCOQ-HNNXBMFYSA-N 406.460 1.621 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CCO1 1439706484 FBOVTRHIPGRVJD-QGZVFWFLSA-N 406.236 1.576 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 1440378751 JDBPSDJYWVGEJQ-IBGZPJMESA-N 405.539 1.960 30 10 HDEE C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1454006212 BVHCQPFYSBORFY-UHFFFAOYSA-N 408.398 1.362 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn(C)nc2Br)s1 1455350906 PCCDYSHOTFGYPV-UHFFFAOYSA-N 419.326 1.890 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc(C#N)cn3)cc2)C[C@@H](C)O1 1459040269 KJVSDPUWHZDUNH-OKILXGFUSA-N 403.464 1.191 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1460943463 VKOZXVNXEYCSKW-IIBYNOLFSA-N 407.559 1.666 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)n[nH]2)c1C 1465531125 NEIWZTOWYREELG-XIKOKIGWSA-N 422.493 1.733 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cn1 1470213620 GXFSEVHDZVIFHI-OALUTQOASA-N 400.504 1.734 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OC 1471123646 GSOYJLTTYHXULH-DOTOQJQBSA-N 410.492 1.382 30 10 HDEE Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)cn1 1492703561 AXXHIPXCRZCZHL-OAHLLOKOSA-N 421.509 1.950 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CC1=O 1504909913 DDABGRSOGSLZBH-UHFFFAOYSA-N 406.446 1.753 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1507631963 WAYJEIMXFJNEFZ-MRXNPFEDSA-N 418.523 1.179 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(C)CN(C)C1=O 1507636744 JVGKJBSPVILILP-HSZRJFAPSA-N 418.501 1.698 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@@]1(C)COCCO1 1507714173 JHLIYMIACQESRJ-NRFANRHFSA-N 418.469 1.888 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC1 1507723534 LOSVDRDNFDXSQI-JKSUJKDBSA-N 406.481 1.810 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(CC)C2)CC1 1507736202 HMLKHRVQSBJLDG-KRWDZBQOSA-N 409.538 1.581 30 10 HDEE C#CCSCCn1c(CSc2ccccc2OC)nnc1N1CCNC(=O)C1 1507757809 CJOQBMOGZWNTBF-UHFFFAOYSA-N 417.560 1.882 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507842364 HJCYLSSOHJAXSO-UHFFFAOYSA-N 421.509 1.753 30 10 HDEE C=CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1507989268 AOKPDXJSHAYYEI-HNNXBMFYSA-N 402.524 1.776 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(Cc2ccccn2)n1Cc1nnn(C)n1 1508031951 BYKNWLYCHQBPRT-UHFFFAOYSA-N 405.466 1.664 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1508139957 FLXLUQGAOWGGSD-GOSISDBHSA-N 423.583 1.447 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1508422833 FHTMTNQVDQAFBG-VKJFTORMSA-N 417.535 1.878 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)nc1Cl 1516204480 PZLJTSYHCPMHIX-UHFFFAOYSA-N 415.862 1.514 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1516785767 UIHMUGAVMMDQKW-AWEZNQCLSA-N 403.508 1.601 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1517498175 FGXLBPBLWSIUMU-GCJKJVERSA-N 424.505 1.585 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1519313682 CFKQQVUKUQNSPR-ZIAGYGMSSA-N 402.455 1.182 30 10 HDEE C[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1520753638 AVCSZGILAFVXDD-HBDYZSFZSA-N 402.499 1.716 30 10 HDEE Cc1cc(COCC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)no1 1525781200 NJARNMPZZIFRJO-HEHNFIMWSA-N 406.464 1.951 30 10 HDEE C#CCN(CC#N)C(=O)c1nnn([C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1530063553 TVCVPDKFPLUSSQ-GFCCVEGCSA-N 408.409 1.997 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2=O)cc1Cl 1531180845 HEQOVLMUJYOBFA-UKRRQHHQSA-N 402.838 1.618 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCC1 1531614114 GKTICKUWHLSDRH-SGYMCOKNSA-N 403.523 1.426 30 10 HDEE CC(C)[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)S(=O)(=O)C1CCCCC1 1537005425 HLIAUDFWQYGGFR-QILLFSRXSA-N 416.565 1.155 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)CSc1ccc(C#N)cc1 1537470179 YOBKRGNAJBFURN-UHFFFAOYSA-N 410.499 1.541 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1538195699 QFZWQSZKOXCCJO-UHFFFAOYSA-N 417.531 1.147 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1539147858 DFXIBDJWUDOUAX-CQSZACIVSA-N 414.491 1.661 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539504749 NWTBBPWOGBIVFR-INIZCTEOSA-N 403.508 1.554 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2ccccc2)C1 1540861893 KJRVEBIWHDTOOX-SFHVURJKSA-N 408.506 1.810 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)[C@@H](C)CC(N)=O 1540863941 KFKZEDMIDHSELZ-JTQLQIEISA-N 424.303 1.038 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1540870512 PGHRXQNOCYWZCM-MRXNPFEDSA-N 403.527 1.870 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(C2CCCC2)CC1 1540876911 FXHZWVYQTOYKMS-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCCC1=O 1541103599 BXIAQNOZVGGDHQ-MRXNPFEDSA-N 424.509 1.924 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1543462459 MITGFCDQIGUQDL-YJBOKZPZSA-N 423.491 1.683 30 10 HDEE CCc1nnc(N2CCC(c3ccnn3C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1546466470 GMQHGUHAFHXHCW-FMQUCBEESA-N 424.509 1.484 30 10 HDEE CN1C(=O)C[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(C)(C)O)CC[C@H]21 1554326290 UBIFKWTURLQDJJ-FUHWJXTLSA-N 424.505 1.557 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1554478917 KRVOFTRAPBZJQN-CRAIPNDOSA-N 412.494 1.726 30 10 HDEE COCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555300764 FVQRSSRJWZMRTM-KRWDZBQOSA-N 412.494 1.821 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1C#N 1556842853 SXSFLBXPAKCENO-GFCCVEGCSA-N 415.441 1.773 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)ccc21 1557384638 UTSILKZHHWRDJH-OAQYLSRUSA-N 420.469 1.389 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1 1557770772 UURLMXMTUJHBHL-AWEZNQCLSA-N 417.325 1.662 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCN(CC(F)F)C3)C2=O)cc1 1558089280 QDGOLYKECJHIIP-ZBFHGGJFSA-N 419.432 1.466 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@H]2CCC3(CCOCC3)CO2)cc1 1558305198 YWJSMRYKTLMYRV-QGZVFWFLSA-N 421.519 1.319 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CN(C(=O)OCC)C[C@@H]3CO)n[nH]2)c1C 1558734108 JLNVWUBRNSAYTJ-RHSMWYFYSA-N 416.482 1.255 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@](O)(C3CC3)C2)CC1 1559987083 DBQNQFXLFPHRTN-UNMCSNQZSA-N 400.498 1.771 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3Cc4cnn(C)c4CC(C)(C)C3)CC2)o1 1560035595 ZYADSSWVTKJGBN-UHFFFAOYSA-N 411.510 1.321 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 1565054382 INDWYBARLVSMPO-GDBMZVCRSA-N 405.462 1.156 30 10 HDEE C#CCN(C(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1565244849 BLGQPXSUNUXFGH-BZSNNMDCSA-N 404.488 1.340 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)NCC#CCO)ccc1Br 1568142644 VTYKZEJXQFAION-UHFFFAOYSA-N 403.298 1.251 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1568995684 ZIJRRZSXHVEACA-HNNXBMFYSA-N 408.296 1.963 30 10 HDEE C#C[C@H]1COCCN1C(=O)C1CCN(C(=O)CSc2ncnc3ccccc23)CC1 1583612604 YOQBZYDUDFBTGU-KRWDZBQOSA-N 424.526 1.821 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1586665089 YWMKSPICKSCZCJ-UHFFFAOYSA-N 417.466 1.277 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 1587317502 NWIAZMXTFIINRO-SJORKVTESA-N 404.511 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1588078438 GZOXAHLHCWZBOR-UHFFFAOYSA-N 422.880 1.111 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(C)CN(C)C1=O 1588233425 IVQMRDICQLKLJE-CVDCTZTESA-N 419.485 1.732 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588387473 URMUHHOEAJFHIU-JKSUJKDBSA-N 415.460 1.895 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CC 1588646844 NQBVLLNAQUTXLN-QZTJIDSGSA-N 423.583 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCOC[C@@H]2C)CC1 1588923627 HAUABMJELXWRDL-FUHWJXTLSA-N 423.521 1.374 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1589109799 KEXTYMFJXHVYCI-DLBZAZTESA-N 402.568 1.440 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CNC(C)=O)CC1 1595523019 MRHXMOAYPKQKSJ-UHFFFAOYSA-N 414.485 1.739 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1596696260 WMXOWYSMJCGGQD-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1597191359 RNMWIYFQWDHBMY-SFHVURJKSA-N 417.531 1.963 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)nn1 1598182185 PCJYXRATUDSAFG-GXDHUFHOSA-N 415.519 1.793 30 10 HDEE COCC#CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 1608529506 OTIUHUACBICVSD-UHFFFAOYSA-N 402.428 1.847 30 10 HDEE N#CCSc1ccccc1NC(=O)CN1C(=O)N2CCCC[C@H]2CS1(=O)=O 1614861884 XHCXSLRAYRVMHZ-ZDUSSCGKSA-N 408.505 1.861 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1618096552 BCZYXKPBJRLFSI-SFHVURJKSA-N 422.493 1.911 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1618324251 XXUIZDKEPZZAOW-QZTJIDSGSA-N 421.475 1.293 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCN1CCOC1=O 1620094696 CJOQIIXWFBDBQR-IRXDYDNUSA-N 418.498 1.584 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1620162120 IGCSOQFSMFITMW-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC(F)F)CCO1 1620354873 DJIKHIYVZYSNSC-CQSZACIVSA-N 408.384 1.118 30 10 HDEE C#CCNC(=O)C1CCN(Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 1621281212 VFEPUORUUNILNK-UHFFFAOYSA-N 414.325 1.058 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(F)c(C=O)c3)CC2)cc1 1624061672 BJDWUHAPLJXBJI-UHFFFAOYSA-N 401.419 1.657 30 10 HDEE CN1CC[C@@]2(CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1624440378 FFDAEXBLZZYREN-FQEVSTJZSA-N 404.536 1.450 30 10 HDEE C#CCCOc1ccc(C(=O)N(C)CC(=O)N2CCC[C@H](C(=O)OCC)C2)cc1 1626314035 UCSVNRSMSLRIQD-SFHVURJKSA-N 400.475 1.962 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cc(C#N)ccc2F)CC3)CC1 1627177431 SVHLJFPJELTVRF-MRXNPFEDSA-N 424.480 1.274 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(C(=O)c3cc(OC)cc(OC)c3)CC2)CC1 1629537208 VXEQCGJVUJWSBH-UHFFFAOYSA-N 413.518 1.724 30 10 HDEE N#C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CC12CCCC2 1633349382 DKLZXMITZRCDKS-IBGZPJMESA-N 405.476 1.826 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636605249 OPRKWZGWYPWBDK-VHSXEESVSA-N 422.326 1.054 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1636913727 GPFBSSDUIOATKN-MRXNPFEDSA-N 422.279 1.547 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1637278044 DXMGQXQSVPNIKV-OLZOCXBDSA-N 410.496 1.254 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)OC 1638826559 LTJZIAQBLGZRCU-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)C2)nc1 1638906406 RUFRQVJJSKBTRH-OKZBNKHCSA-N 409.490 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639175314 MVUHSJNWCNRVIL-DOXZYTNZSA-N 411.524 1.420 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@H](CC(F)(F)F)O1 1641092387 PRDMFQTYCRUMDE-BZPMIXESSA-N 419.425 1.793 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)C1=O 1643062534 CTWBYKAKTXDNLF-UHFFFAOYSA-N 406.801 1.596 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1643513396 WGYUKJPBHZUDAE-QGZVFWFLSA-N 419.503 1.823 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1 1643889666 ZLUCQRDUGUBWOZ-UXHICEINSA-N 410.449 1.525 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2n1CCN(C)C2=O 1643920216 DERJUUBQQOAWCQ-ZDUSSCGKSA-N 406.487 1.230 30 10 HDEE C=CC[C@@]1(C(=O)N[C@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1644705924 DXKKZTFYVYXAPP-XCLFUZPHSA-N 416.482 1.941 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1646094728 ARPYFKKXLQSXDB-IBGZPJMESA-N 423.498 1.843 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@@H]3CCCC[C@H]3C)c2)C1 1646382063 RMXVPAHYUIPHOQ-GDBMZVCRSA-N 406.504 1.372 30 10 HDEE C#CCN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)CC(=O)OC(C)(C)C 1647115581 IIAGPRRLDSZAAL-UHFFFAOYSA-N 404.858 1.531 30 10 HDEE Cc1nn(C)c(N2CCN(c3cnc(I)nc3)CC2)c1C#N 1651753162 VJFVGBFPGLYYBJ-UHFFFAOYSA-N 409.235 1.321 30 10 HDEE C#CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(C)CC1 1652511916 JCBHVEYQSZDTLR-KRWDZBQOSA-N 406.527 1.058 30 10 HDEE O=C(Cn1cccc(C(F)(F)F)c1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811817 OFDJSOKPZVXDSC-UHFFFAOYSA-N 423.347 1.771 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC)C(=O)OC 1655602847 OKOXHCNLAVETQA-GFCCVEGCSA-N 418.265 1.008 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1655991240 AZRPGHFGZSSSNN-SNVBAGLBSA-N 419.301 1.712 30 10 HDEE CC(C)Oc1ccc(CCNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1656342891 CWFJECJSWGHBHG-FXAWDEMLSA-N 405.520 1.003 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C1CCOCC1 1664579837 JJEJRPBJOMZQEZ-ZDUSSCGKSA-N 419.272 1.394 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)c1 1665937240 CQVVKKHQIRNWAI-BGYRXZFFSA-N 408.520 1.138 30 10 HDEE Cc1c(S(=O)(=O)NCCN2CCC3(C2)OCCO3)sc2ccc(C#N)cc12 1671696085 AFNBZMFLBIUWBG-UHFFFAOYSA-N 407.517 1.809 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(c2ccc(CNC(=O)N3CC[C@@](O)(CC#N)C3)cc2)C1=O 1672648731 UKNZDYAIBBWWCM-RTWAWAEBSA-N 411.462 1.472 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CC1 1679241055 GTQFAXJBRJLZRC-PKOBYXMFSA-N 414.506 1.764 30 10 HDEE C=CCc1cc(CNC(=O)N2CCS(=O)(=O)C[C@H]2CCO)cc(OC)c1OC 1683367634 WHFWJSINSNYUMD-MRXNPFEDSA-N 412.508 1.123 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1)C1CCOCC1 1684037202 UXHLNWYCBNEBHK-NRFANRHFSA-N 413.518 1.964 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)c2nc(C(F)(F)F)no2)n1 1684830766 MTNZMMWXOHHDLI-LLVKDONJSA-N 400.361 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)N[C@@H]3CC[C@H](C#N)C3)C2)C(=O)C1 1686854848 GOIPLMWFDFPSTP-GVDBMIGSSA-N 419.526 1.932 30 10 HDEE C#CCN(C(=O)NCCNC(=O)c1ccc(Br)cn1)C1CCN(C)CC1 1687029492 PTEJKXMSYPWYKA-UHFFFAOYSA-N 422.327 1.313 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1689986112 IYPUEQQBLCKNBP-HUUCEWRRSA-N 405.549 1.796 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1C1CC1 1690059082 ITFMGEFQXCHWLH-NVXWUHKLSA-N 408.572 1.365 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1690170990 UADQLYQSRQEDAZ-SJORKVTESA-N 402.568 1.660 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690288259 PAFOAPVMIFFVQX-OAHLLOKOSA-N 407.540 1.251 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)=O)CC1 1690317208 VEXBJEJIAYAPOS-UHFFFAOYSA-N 423.521 1.778 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1690326654 AVWPQGLOHADRSB-AWEZNQCLSA-N 417.963 1.962 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1690345849 FFFAJNZLYDFTQL-UONOGXRCSA-N 413.931 1.134 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)COCCO1 1692873412 XNKSOWHODVBDSJ-NRFANRHFSA-N 410.478 1.324 30 10 HDEE Cc1cccnc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1693300290 DMTYUVYIKYDHMJ-HNNXBMFYSA-N 404.434 1.406 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1696413670 FCMRINPHJYOFHX-UHFFFAOYSA-N 408.466 1.443 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(C)c1 1698061948 ZBGGQONLJOXIPD-MRXNPFEDSA-N 423.564 1.965 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)CCO1 1698492558 DERBXCWVLVMOMK-CVEARBPZSA-N 409.512 1.073 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1705538935 DWZNBAPXRCWUQZ-WOJBJXKFSA-N 403.483 1.375 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCNC(=O)OC(C)(C)C 1705625888 APKCADAKGDBYIC-UHFFFAOYSA-N 400.483 1.951 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1705627510 IJMGYYHGGYKCBM-ROUUACIJSA-N 415.517 1.588 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1705639321 LWSNCOKGOONTQV-GJZGRUSLSA-N 401.433 1.505 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC[S@](=O)CC)CC1 1705641425 FHMUYCWIYPDJJB-GDLZYMKVSA-N 415.563 1.423 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC)C1 1705814001 ZYHRJBNBWLFQRW-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1705883902 ABSRJCMYIVZLBF-FIKGOQFSSA-N 419.526 1.596 30 10 HDEE CC(C)NC(=O)C(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 1706579263 RRPFFYSTQXZKSL-YJBOKZPZSA-N 421.505 1.571 30 10 HDEE Cc1nccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1707785415 LOOXWBWCOVWOFC-KRWDZBQOSA-N 412.498 1.115 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1710988802 LOULCWGRLFUIOV-QFIPXVFZSA-N 424.505 1.824 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCC(=O)NC 1722293734 NPWNWLHOXSXFKI-HNNXBMFYSA-N 421.505 1.830 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1722368299 PNGCNUBHNDPXJE-MRXNPFEDSA-N 407.540 1.087 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)OC(C)(C)C 1722424889 DAPFODCUSVVUGR-UHFFFAOYSA-N 401.471 1.346 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](COC)OC)CC1 1722434021 KBUHZEGDCAHHIL-GOSISDBHSA-N 414.466 1.270 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(NC(=O)N(C)C)cc2)CC1 1722445596 ZOKIPMBBYFHXQK-UHFFFAOYSA-N 423.521 1.694 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2CCOC2)CC1 1722446051 LFLJXIFTOMRPTE-INIZCTEOSA-N 411.510 1.071 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCn2cc(Cl)cn2)CC1 1722448818 YXWARNDPACBCFR-UHFFFAOYSA-N 401.902 1.671 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCC(=O)N1 1722680985 FEPFMOMLTLYARD-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722699329 UJMSIOFKBNRRSR-GCKMJXCFSA-N 405.543 1.942 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1723836524 CCAUUYNYMOKFOZ-PKOBYXMFSA-N 424.553 1.715 30 10 HDEE CCSCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729287544 QAXMKKZYPLWGBJ-HZPDHXFCSA-N 403.556 1.549 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)c1 1729297148 GJXWXFOLTPDMMX-SFHVURJKSA-N 420.477 1.157 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1740544885 LIUYYGJWRBQSBJ-RDJZCZTQSA-N 420.525 1.637 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740566474 HMPRNZHIPYGEAS-ULQDDVLXSA-N 409.556 1.555 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncc(F)cn2)CC1 1740571093 NAPKQSJQZZTMKA-UHFFFAOYSA-N 409.473 1.738 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CC1(OCCOC)CCOCC1 1740639925 YDNYTZSTWFZHRM-SFHVURJKSA-N 402.495 1.067 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCC(=O)N(C)C)CC1 1740697348 BFJDGHACGSNURD-UHFFFAOYSA-N 410.522 1.577 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740743968 JMSLVZGITQMKAB-CHWSQXEVSA-N 412.288 1.722 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1740749852 GGYHQBOQWDPSBK-CYBMUJFWSA-N 414.304 1.333 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740756436 HTNVBNUAIHOVRQ-KUDFPVQQSA-N 411.510 1.679 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1740961144 NDBBJIWRIZEEMO-HNNXBMFYSA-N 406.531 1.882 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740962708 MHYLBYSIBUFFLY-MOPGFXCFSA-N 422.533 1.470 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CC1 1741127502 CXJLSNFWPXJFHX-CYBMUJFWSA-N 417.491 1.847 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCOCC1 1743196500 CMSIRIZTKXUKSI-OAHLLOKOSA-N 410.478 1.025 30 10 HDEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1748272814 JNPIELIRPAPRIC-UHFFFAOYSA-N 417.477 1.069 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1748731839 MSJVCFSDDFRHHP-QGZVFWFLSA-N 409.556 1.446 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1Cc2ccccc2C1 1748772976 RERMVPIGGNWXST-HNNXBMFYSA-N 401.536 1.763 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(N2CCOCC2)n1 1748784152 CTYNUSSNYNYPKT-UHFFFAOYSA-N 403.490 1.998 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCCC1 1748887493 AOETYSRTEKYVIQ-GOSISDBHSA-N 410.522 1.485 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H]1OC 1748892123 JBOAGIRVJHMIHN-KZNAEPCWSA-N 404.536 1.458 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748918056 VMWSOCBTBGORQL-GOSISDBHSA-N 412.519 1.700 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1748929110 DDRDHBIOQPTQRN-KRWDZBQOSA-N 402.520 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(C)cc2C)CC1 1748989685 BASDMVJANVSNHU-FQEVSTJZSA-N 406.534 1.844 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC2(C)COC2)CC1 1749016733 MHLIVPWMKOZUTI-UHFFFAOYSA-N 408.506 1.266 30 10 HDEE C#CCSCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC#C)CC#C 1749039666 YMZNKXZSYKCEJY-UHFFFAOYSA-N 419.558 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)COCCO1 1749051914 QNUAQVDTOQHLRN-RTWAWAEBSA-N 403.527 1.994 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1nnn(C)n1 1749541988 XQBGKUKETDYOOB-UHFFFAOYSA-N 413.461 1.320 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1749754444 MUWPIOFSPYXOFR-HNNXBMFYSA-N 415.585 1.521 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1749756511 YHMCBIMUIUQNRJ-INIZCTEOSA-N 423.583 1.823 30 10 HDEE Cc1cccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)c1 1751645051 REYWEIUBALQGRI-OAHLLOKOSA-N 406.446 1.990 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1 1760176229 CJOZTQBMIACXMX-KRWDZBQOSA-N 402.520 1.794 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1760233828 PBVDUOPEBYSQDH-CVEARBPZSA-N 402.524 1.099 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN2CCCC2)CC1 1760262741 YOPYLYPJRSSPAF-FQEVSTJZSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@@H]1CC 1760280059 MFOJRHGOKYHDGG-AWEZNQCLSA-N 416.507 1.087 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1760440575 MSAGWYXUDNOUAM-KRWDZBQOSA-N 409.556 1.980 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 1760513639 SQGXQSPWZGQWSG-UHFFFAOYSA-N 423.521 1.347 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCS(=O)(=O)C1 1761361045 ZQFLQIVFRPGEHZ-CHWSQXEVSA-N 420.495 1.179 30 10 HDEE CC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1)OC 1762338077 VZXDBULEPFMAJP-KZNAEPCWSA-N 413.478 1.602 30 10 HDEE C[C@H]1COCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1763222210 HMXBWZNWNULKDC-CVTQAYBASA-N 423.477 1.015 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1767548979 COLOWVGINQZEMO-UHFFFAOYSA-N 413.482 1.518 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1768450796 AILVKSOKXUDYJC-GOSISDBHSA-N 412.494 1.822 30 10 HDEE CN(C)C1(Cn2c(-c3cnn(C)c3)nnc2N(CCC#N)CC2CC2)CCOCC1 1768487006 GZUIYMJXOFBFED-UHFFFAOYSA-N 412.542 1.919 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1 1768585145 IVBAJHUNERBMPH-LJQANCHMSA-N 412.494 1.327 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1770580063 GTPMBWSYJUZDCY-WBOJAVRRSA-N 414.507 1.145 30 10 HDEE C=CCN1C[C@@H](C(=O)NCCOc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1=O 1850254053 PESNBSLYXHJXPO-HNNXBMFYSA-N 424.436 1.460 30 10 HDEE Cc1nn2c(C)c(C(=O)NC[C@@H]3CN(Cc4ccccc4)CCO3)cnc2c1C#N 1851423965 LSPUTORLESJKQI-GOSISDBHSA-N 404.474 1.849 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852760171 NVSXYAVZDQWJFX-UHFFFAOYSA-N 416.385 1.751 30 10 HDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(=NOCCN1CCCC1)C1CC1 1853513303 SWUGPUMJQMJDHK-UHFFFAOYSA-N 409.508 1.896 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1ccc(F)nc1)C(=O)c1cnc(C#N)nc1)CC2 1853526074 SWOWPJJIFDBYCZ-INIZCTEOSA-N 419.420 1.176 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)[C@@H]1C 1854330177 DXZAQIASCMMCRA-FUHWJXTLSA-N 405.520 1.393 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)C3CC(F)(F)C3)C2=O)C1 1854913519 NHJGDNUGYOBNSO-MRXNPFEDSA-N 404.417 1.969 30 10 HDEE C=CCCN(C)[C@@H]1CCCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855252322 DUAARAXOUHOHBY-SJLPKXTDSA-N 411.568 1.606 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nn(C)c3c2CCC3)CCN1CCOc1ccc(C#N)cc1 1855879927 PUDUWYYYCSZFEV-HNNXBMFYSA-N 407.474 1.532 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(CCCC#N)C2(CCCC2)C1=O 1856517544 DKENAGNHSFHKEJ-MRXNPFEDSA-N 410.540 1.088 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCC(=O)N2c2ccccn2)C(=O)C12CCCCC2 1856627652 JEXQDXXQVXEEDG-KRWDZBQOSA-N 409.490 1.864 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)N3CCN(C=O)CC3)c3ccccn23)c1 1858241956 MLSMHYDUKIBZSN-UHFFFAOYSA-N 402.414 1.372 30 10 HDEE C=CCN=c1nc(Nc2ccc(Cl)c(C)c2)[nH]c(N2CCN(CCO)CC2)n1 1871662325 BTYXXQJIXFUJFX-UHFFFAOYSA-N 403.918 1.711 30 10 HDEE C#CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 1872724072 RWXCRJLRSRMUND-UHFFFAOYSA-N 414.483 1.934 30 10 HDEE Cc1cccc(C)c1OCC(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889396872 KXXABGWHECHRHW-UHFFFAOYSA-N 413.562 1.941 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)C2(CCOCC2)C1 1965826394 ZTNMPRYUICFIHM-CQSZACIVSA-N 401.529 1.872 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H]1Cn2cnnc2CN1C(=O)OC(C)(C)C 2010358945 ZYQWQSIYZPIRDL-NSHDSACASA-N 400.277 1.764 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025894934 FNYWLVOAPWIXSD-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@H](CC#N)C1 2046024209 YPKDKDWGNLFDGI-KUHUBIRLSA-N 407.467 1.966 30 10 HDEE C#CCOCCOCC[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074704363 GRUPDZSNLMEBMJ-HPGBDJQBSA-N 411.476 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)O)cs2)[C@H](C#N)C1 2106308764 DBAJLXIUXJFPFA-LLVKDONJSA-N 401.466 1.580 30 10 HDEE C=C(CN=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 2162864259 BJTWJQIRTDXQCG-MHZLTWQESA-N 404.533 1.518 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2174782357 POJDZIUDFPQRPS-KEYYUXOJSA-N 402.517 1.081 30 10 HDEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccs1)[C@H]1CCS(=O)(=O)C1 2180116033 UOJBLSLKUAODAQ-ZFWWWQNUSA-N 412.533 1.963 30 10 HDEE C=CC[C@](C)(CO)CNC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2201838057 YEORWVDYHCZCIG-KDOFPFPSSA-N 404.529 1.102 30 10 HDEE C[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247781030 HEMQNLGZJKNCRV-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE Cn1nc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2247822754 IVXXRCYXKSZBLR-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCONC(=O)OC(C)(C)C 2247918525 PMAWTBVBJSFZCB-UHFFFAOYSA-N 424.307 1.388 30 10 HDEE CC[C@H](CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248053325 CRUHYMMTARIFBW-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2258165150 CBRDKGLHVAPUMS-IAGOWNOFSA-N 408.476 1.176 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCCC1 2258172802 JSLLMTBDGOAOMW-MRXNPFEDSA-N 408.476 1.622 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3[C@H]4COC[C@H]3C4)cc2Cl)OC1(C)C 2267351737 CZSLRXNCVIIBIF-NXEZZACHSA-N 405.734 1.863 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCSCC(=O)O)OC1(C)C 2269042452 ZICOVGWRGDJIGL-UHFFFAOYSA-N 407.344 1.143 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)[C@@H](CO)C3)sc2Cl)OC1(C)C 2282058608 WOWLKBYOSJROGY-ZYHUDNBSSA-N 401.721 1.516 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3C[P@@](C)(=O)C[C@H]3O)c2)OC1(C)C 2282333990 VYFGBHRJHZUODL-DNLDONJPSA-N 421.286 1.062 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282345247 ZBJOQYOIONZJSS-WFASDCNBSA-N 401.359 1.377 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCN2CCSCC2)OC1(C)C 2282349287 WPSSMAKRLAGCMU-UHFFFAOYSA-N 418.415 1.374 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCCC[C@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282497250 NNXRWPYFTDRTMH-UONOGXRCSA-N 407.363 1.449 30 10 HDEE CC[C@@H](N)CN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498866 KOLLDPZEDHBOQX-CQSZACIVSA-N 402.391 1.936 30 10 HDEE Cn1ncc(C(=O)N2CCC3(C2)CC2(C3)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282563367 DOJFDHDXWJBLES-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE C[C@H](O)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2282612942 IFPBDAVBNZHZNW-JQWIXIFHSA-N 401.721 1.923 30 10 HDEE CC1(C)[C@@H](O)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849196 XRQZSMWBCDKASO-AAEUAGOBSA-N 401.359 1.733 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877410 QYFZDOVWNDZWGA-UHFFFAOYSA-N 400.331 1.598 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS[C@@H](C(=O)O)C3)s2)OC1(C)C 2284397342 LEYZVFQUQDEZJE-SNVBAGLBSA-N 419.355 1.238 30 10 HDEE C=C(CS(=O)(=O)N[C@](C)(CC(F)(F)F)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284405545 MEAOWEHSIFZNJH-CYBMUJFWSA-N 401.212 1.889 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NS(=O)(=O)C1CC1 2284417351 JRRKSKIDNNPLKU-UHFFFAOYSA-N 401.315 1.065 30 10 HDEE COCCc1nnc(S)n1N=Cc1c(C(=O)O)[nH]c2cc(OC)c(OC)cc12 2321888256 RIDMVRWUFWCZAO-UHFFFAOYSA-N 405.436 1.835 30 10 HDEE NC(=O)CSc1nnc(CCOc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2329175874 HOIWQJOOLHROBH-UHFFFAOYSA-N 413.459 1.770 30 10 HDEE N#Cc1ccc(=NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[nH]c1 2338910206 FBOKOUBZMHABDE-UHFFFAOYSA-N 412.471 1.973 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OCc2ccccc2)C1 2339668915 UPIYTVRYRIXANB-WBTXTPOCSA-N 422.547 1.611 30 10 HDEE CCc1csc(C#C[C@@H](O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363984363 BJFFJLUBEBVZDE-LSDHHAIUSA-N 414.549 1.842 30 10 HDEE CC(C)(C)OC(=O)N1CCC(COC[C@@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365192239 AVTMHZYXVBWTCN-INIZCTEOSA-N 403.541 1.838 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CCC(O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365201184 GEFHZGPIPHCXCO-UHFFFAOYSA-N 401.525 1.971 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@H]21 2365208430 CFTJLQFABHKHEN-GPINWOSQSA-N 400.541 1.161 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2365209067 FHZPTMMPBPROFG-HUUCEWRRSA-N 402.557 1.816 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2365209291 FQAYKJVXJCNLPY-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(C[C@@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367804788 WRYUYHPXNYRXNE-INIZCTEOSA-N 400.541 1.165 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2367809983 SIBBEYFQBGCNHE-HRCADAONSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367824885 NPBPRZKSBQOGTD-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NCCC23CC(I)(C2)C3)C1 2381621069 STAPNZRBNWQWAW-PNESKVBLSA-N 409.293 1.804 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccccc3)n2N)c1 20293112 FZRLXFQGCYGRBJ-WSDLNYQXSA-N 411.491 1.855 30 10 HDEE Cc1cc(C)n(CC(=O)Nc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c(=O)c1C#N 21354328 RWPPNXJADODVSS-SFHVURJKSA-N 408.458 1.884 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)[C@@H](C)n2c(N)nnc2SCC#N)nc1C 32535679 FUBXKLVDNZLWIT-SECBINFHSA-N 407.481 1.783 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(NCc3ccc4c(c3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccco1 72472429 ONWJWLBDQGVPSX-LRDDRELGSA-N 419.397 1.970 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)CC1 217437713 OKRZRUXJXPBFQE-NRFANRHFSA-N 420.517 1.858 30 10 HDEE CCOCCn1c(NN=Cc2ccc(OCC)cc2)nc2c1c(=O)n(C)c(=O)n2C 254496439 ZMBTYLUUWYIIJM-UHFFFAOYSA-N 414.466 1.315 30 10 HDEE Cc1cc(C)c(-n2nnn([C@H]3CC(=NNC(N)=S)[C@@H]4OC[C@H]3O4)c2=S)c(C)c1 254738591 CXYFULPYEICJMC-GZBFAFLISA-N 419.536 1.599 30 10 HDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409824854 QOZZBOKIODGRPA-DYVFJYSZSA-N 416.869 1.423 30 10 HDEE C[C@H](C(=O)Nc1nc2n(c1C#N)CCS2)c1ccc(S(=O)(=O)N(C)C)cc1 437548982 RABMSDOSHIZEJA-NSHDSACASA-N 405.505 1.853 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N 438951578 VQLIKJXVQZEGCU-UXOAXIEHSA-N 412.851 1.325 30 10 HDEE COc1cc(CNC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)ccc1C#N 460610598 ZMEYNADZUFBAER-UHFFFAOYSA-N 407.474 1.707 30 10 HDEE C[C@@H](OCC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)c1nccn1C 479839096 FBMPLFUPDFGEOQ-CQSZACIVSA-N 410.434 1.966 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN(Cc2ccc(F)cc2)C1=O 480758139 NEPMJAQYYLGUJV-MRXNPFEDSA-N 403.435 1.785 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1C 482552245 CUIVXOXNJFBETH-UHFFFAOYSA-N 407.476 1.775 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)CC2)cc1C#N 489063106 WMGPJWORGQTUBM-IYBDPMFKSA-N 419.551 1.073 30 10 HDEE CCNC(=O)C1CN(C(=O)COc2c(Br)cc(C#N)cc2OCC)C1 489634394 BRCVXWMHDUAHPE-UHFFFAOYSA-N 410.268 1.693 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc2C)n1 489901082 PTFOTSYWHSHOAM-INIZCTEOSA-N 417.477 1.600 30 10 HDEE COC(=O)C(C)(C)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 494452546 OJCIZWNRZQFTJE-KRWDZBQOSA-N 416.522 1.900 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cnccc3C)CC2)cc1 500691065 WQUURKXUCKJRFX-UHFFFAOYSA-N 400.504 1.817 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3c3noc(COC)n3)cc2C1=O 501962135 YGGLJRLTJBMVFM-OAHLLOKOSA-N 412.402 1.212 30 10 HDEE COCc1nc([C@H]2COCCN2S(=O)(=O)c2c(F)cc(C#N)cc2F)no1 501991155 VLIPYQUSHZMDQO-GFCCVEGCSA-N 400.363 1.128 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSCC(=O)c2ccc(Cl)cc2)CC1 503176104 IICSUDCKTRTUOO-UHFFFAOYSA-N 409.939 1.702 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)ccc1Cl 505018304 IONURAUROKJFTL-UHFFFAOYSA-N 412.899 1.681 30 10 HDEE C=CCN(CC(=O)NC(=O)NC1CCCCC1)CC(=O)NC(=O)NC1CCCCC1 507325849 KPFLVGHJTSNUDB-UHFFFAOYSA-N 421.542 1.791 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 507702690 QUCWTGCIFYJJAV-LJQANCHMSA-N 411.550 1.998 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCC2CCC(C#N)CC2)C1 508374049 FAQAVWBOQJMDEY-OFLPRAFFSA-N 407.540 1.873 30 10 HDEE COC(=O)[C@H](NCC(=O)Nc1c(C#N)cnn1-c1ccccc1)c1cccc(O)c1 546099867 VAXROQWEMZSHDZ-LJQANCHMSA-N 405.414 1.892 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2cc(OC)ncn2)CC1 554632469 UPSJLBPQMNPHJJ-UHFFFAOYSA-N 421.461 1.985 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c(F)c1 585683882 OQURLRLWLRSKGD-KRWDZBQOSA-N 416.478 1.565 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)cc1Cl 585760867 ZXABRKRKRXCZEW-UHFFFAOYSA-N 400.797 1.892 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N 609411888 BUQQNQWVWCLOPO-UHFFFAOYSA-N 420.535 1.518 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)NCCSCc2ccccc2C#N)C1=O 610591935 APNABBBYSOWFTI-OXQOHEQNSA-N 415.519 1.811 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1 727415353 MDHKRXAEFMOZJF-UHFFFAOYSA-N 409.467 1.148 30 10 HDEE Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 728041105 BUMSKRKGOCPWDZ-QFIPXVFZSA-N 404.474 1.808 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cc(Br)ccc1F 732445215 IFJTTWYRDQJNAF-PFONDFGASA-N 411.231 1.914 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(N3CCOC3=O)cc2)CC1 740890200 LZWMYMSQWXRVAB-UHFFFAOYSA-N 413.459 1.421 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(C(=O)N(C)C)ccc2OC)cc1C#N 747497678 IRLYGEJJPVBMQC-UHFFFAOYSA-N 410.430 1.532 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2CCNC2=O)cc1C#N 755296786 RDLVUBXJYZEIES-UHFFFAOYSA-N 407.430 1.347 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCCO3)c2=O)cn1 758093779 BEROJUDFLLBQRC-INIZCTEOSA-N 412.515 1.085 30 10 HDEE COc1cc(OC)cc(N2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)c1 758485599 ZYIWTDOVWZPPSK-UHFFFAOYSA-N 416.503 1.940 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@]2(C#N)CCSC2)C1=O 771404058 WJOCGDHRSJBQHG-OALUTQOASA-N 402.476 1.286 30 10 HDEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C3CC3)c2=O)s1 772911189 RDVXSAIIRLEQKD-UHFFFAOYSA-N 414.556 1.681 30 10 HDEE Cn1c(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)nc2cccc(Cl)c21 776137259 FIDNJCFIDWMNOD-ICFOKQHNSA-N 402.842 1.552 30 10 HDEE CCc1ccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)cc1 784128279 NWFWUTAKECQCQQ-INIZCTEOSA-N 400.508 1.998 30 10 HDEE COCCOc1cc(OC)ccc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 788350346 XCGJQJIBPUAYBI-UHFFFAOYSA-N 404.444 1.852 30 10 HDEE CNC(=O)CC(=O)OCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 789096089 POPDCGVTXJNDLY-ZDUSSCGKSA-N 402.451 1.035 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCc3cc(Br)cc(C#N)c3)cnc21 790859660 CMVXXNXQAOJWIG-UHFFFAOYSA-N 402.208 1.508 30 10 HDEE CCOC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 795775497 WQNIMSWFIWAQBX-UHFFFAOYSA-N 418.450 1.780 30 10 HDEE CCOC(=O)c1c(NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)sc(C)c1C 798744292 KBJQRNHKIZYKHG-JTQLQIEISA-N 405.436 1.748 30 10 HDEE N#Cc1cc(NC(=O)C(=O)NCCCN2CCOC2=O)ccc1OC(F)(F)F 799832871 GOEKMBOPPMOSGA-UHFFFAOYSA-N 400.313 1.354 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCO[C@H](C(F)F)C2)CC1 801565922 KBXKWTPLCVOHKP-HNNXBMFYSA-N 421.404 1.421 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@H]1CC(F)F)/N=C1/NS(=O)(=O)c2ccccc21 804723338 WSVIVOJGFHBKPW-VXGBXAGGSA-N 401.435 1.386 30 10 HDEE COc1cc(CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc1C#N 810867137 KKVKNWYFZSJLTO-INIZCTEOSA-N 416.478 1.699 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1 813798863 DTDCWZTWCIDQDQ-QGZVFWFLSA-N 418.538 1.947 30 10 HDEE COc1ccc(NC(=O)COC(=O)c2cscc2C#N)cc1S(=O)(=O)N(C)C 814613113 BYEWIETWNSAAOD-UHFFFAOYSA-N 423.472 1.674 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3sc4nccn4c3C)CC2)o1 815228815 XIDOVZSQTKDWLO-UHFFFAOYSA-N 414.447 1.378 30 10 HDEE C=CCC(F)(F)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 815314633 ANLOPRUJZUMJIJ-UHFFFAOYSA-N 421.400 1.598 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)=NO1 816837652 BPIBEMUPSIKCCU-GJZGRUSLSA-N 415.450 1.603 30 10 HDEE CCOC(=O)[C@H](C)Sc1nnc(NN=Cc2cc(OC)c(OC)c(OC)c2)n1N 1083863547 RPFGZKCNLNPZCB-JTQLQIEISA-N 424.483 1.507 30 10 HDEE Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccc(O)cc2O)n1N 1084176626 RVLJOFVJPOLJBD-UHFFFAOYSA-N 413.463 1.888 30 10 HDEE COc1cc(Cn2c(C#N)c(C#N)n(CC(C)(C)C)c(=O)c2=O)cc(OC)c1OC 1088717631 IDGSWWJHTIUGFZ-UHFFFAOYSA-N 412.446 1.874 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1 1130753516 LKQPDMWEBCNRHZ-QGZVFWFLSA-N 414.425 1.656 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC[C@@H]3CCCS3(=O)=O)CC2=O)cc1Cl 1133181085 WRMHLRRFDBBQBY-ZFWWWQNUSA-N 409.895 1.648 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](CS(C)(=O)=O)c1ccccc1 1137537014 FLLUXIUDVLFPKG-RDJZCZTQSA-N 413.503 1.214 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1C[C@H](C(F)(F)F)CN1C(=O)OC(C)(C)C 1137752517 XXCMYZDMKWMTTR-RYUDHWBXSA-N 414.446 1.891 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3C[C@@H](O)CN3c3ccncn3)CC2)c1 1143183733 IIZJCDJMQLESQV-RTBURBONSA-N 420.473 1.165 30 10 HDEE Cc1ccc(C(=O)NC[C@H](O)[C@@H](C)c2ccccc2)cc1S(=O)(=O)NCC#N 1148719867 IDSYYZDPMXQMCZ-YJBOKZPZSA-N 401.488 1.691 30 10 HDEE C#CCN(CC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)C(=O)OC(C)(C)C 1151437247 LFJGJSYLRWMENN-OAHLLOKOSA-N 413.482 1.032 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3C(=O)c3cccs3)C2)c(=O)nc1O 1159490472 QDLGUCFQVOWCCA-UHFFFAOYSA-N 406.423 1.810 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c1 1161894354 MQOWNGKKQALWMA-VQTJNVASSA-N 410.495 1.825 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1 1171532867 KZRFNSZUOGNASW-YLJYHZDGSA-N 405.520 1.520 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCc3ncc(Br)n3C2)cc1 1180637108 AIHGMDJGQNSQOI-CYBMUJFWSA-N 402.252 1.378 30 10 HDEE CCn1c(=O)c(C(=O)CN(C)[C@@H]2CCC[C@@H]2C#N)c(N)n(Cc2ccccc2)c1=O 1196833837 UPJRAEDIPGNIRE-IAGOWNOFSA-N 409.490 1.467 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1OC 1198791966 BWJWMFNADHYXIF-UHFFFAOYSA-N 424.479 1.767 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1 1213324306 HCZDNLOZYGUWDP-CQSZACIVSA-N 404.895 1.754 30 10 HDEE CCC(CC)[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)N1CCOCC1 1223073461 AEZQAGGLUWHOFA-NRFANRHFSA-N 414.554 1.922 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@@H](N3CCCC3=O)CC2)C1 1233850314 BSTXLZKWEWCLCM-BBWFWOEESA-N 419.526 1.932 30 10 HDEE CC(=O)N(C)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1279684465 GASMJMBSUHXFJV-UHFFFAOYSA-N 414.487 1.791 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCOCc1ccc(OC)cc1 1286407075 BQIWTBJSPNHKGO-LJQANCHMSA-N 407.474 1.527 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)C1CCC1 1286415391 KABBHFYVKSKNRI-UHFFFAOYSA-N 407.522 1.519 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286564975 ZVNNFGQVRYQVHD-INMHGKMJSA-N 418.523 1.340 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286583248 JDBPMKFOAKFFIH-INIZCTEOSA-N 424.571 1.084 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286594142 CATSVQKGNJBNKV-UHFFFAOYSA-N 411.510 1.013 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286703376 KWEYCUQKKUSLGW-UHFFFAOYSA-N 424.571 1.132 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286785262 CSVOQYBZIKPZJG-UHFFFAOYSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1286785275 IEHOKOZOCRMNRB-OAQYLSRUSA-N 422.493 1.128 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286787879 KZEOWYXGJUXRFG-ZDUSSCGKSA-N 417.432 1.716 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1286983076 VKOITIHWYCRWQP-KBPBESRZSA-N 403.508 1.599 30 10 HDEE C[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1291297781 CTDVWCAFPUDJIF-DJIMGWMZSA-N 407.540 1.593 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1292780639 GTXBPZQYTBKQAJ-MRXNPFEDSA-N 422.493 1.345 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(F)c(Br)ccc3[nH]2)CC1 1297518200 XZFMLMRUALAQEB-UHFFFAOYSA-N 421.270 1.577 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1298691152 WWBTYSRENWSMKH-UYAOXDASSA-N 416.474 1.442 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](c2ccccc2)c2nc[nH]n2)c1 1299113385 YTEFYYVLTWKQMQ-GOSISDBHSA-N 409.471 1.578 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(C)C[C@H]1Cc1ccccc1)c1cc[nH]n1 1300287545 DUOAFIQESLXVER-QGZVFWFLSA-N 413.478 1.079 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1300309327 SOGNYIHMVFJZHM-QAPCUYQASA-N 402.520 1.833 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300485116 UJUVMUVDFOUHCD-INIZCTEOSA-N 416.551 1.543 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1300511209 GSJPOKLRKNUCFX-KRWDZBQOSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC(=O)NCC(F)(F)F 1300544844 BHCDRDORVPKYFL-UHFFFAOYSA-N 419.407 1.651 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CSC1 1300610976 REPOTZDJVBXNOV-GOSISDBHSA-N 409.870 1.823 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1300681851 DAIBGKZXPAPBNQ-VGSWGCGISA-N 423.521 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(C)C)CC1 1300723325 RXROGAFRAIXGTC-KRWDZBQOSA-N 400.527 1.631 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301257691 CTCHPZBJQDQKQH-HOTGVXAUSA-N 404.471 1.644 30 10 HDEE CC(C)(C#N)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1302898269 UOKPGROQLJBCJU-KFWWJZLASA-N 406.483 1.967 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@H](O)CS(C)(=O)=O 1310863334 JBVYYNASAXRXJX-NSHDSACASA-N 407.286 1.541 30 10 HDEE N#Cc1ncn(CCNC(=O)NCc2c(F)c(F)c(Br)c(F)c2F)n1 1312663290 UZEXEVTTXAJETD-UHFFFAOYSA-N 421.152 1.968 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ncc(Br)cn1 1313380527 AVIYYICIJYUNKB-NSHDSACASA-N 417.271 1.321 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(C(=O)Nc2ccccc2O)CC1 1319629617 DNYRRYMZTOIFRJ-VZCXRCSSSA-N 412.446 1.486 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)C1 1325228986 VLNGQEIEVFCWFT-CQSZACIVSA-N 404.510 1.422 30 10 HDEE COC(=O)c1nc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)cs1 1355670035 ZQGGYKMWKHOYTR-ZHZULCJRSA-N 422.488 1.995 30 10 HDEE C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 1357483212 DIXMXEJKGUSWME-HEHNFIMWSA-N 402.480 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1358875005 HSDKKFJPCMBZMV-NSHDSACASA-N 403.288 1.681 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCC(=O)NC 1358911126 LLQJNPXSQBZADM-UHFFFAOYSA-N 400.483 1.772 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1358966983 ATLDMTVUOSNYSS-INIZCTEOSA-N 404.492 1.195 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1358978954 YYJDKIRDTQZJEV-GOSISDBHSA-N 402.462 1.269 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(CS(C)(=O)=O)CC1 1358982314 RKKJJMXINMRCNR-UHFFFAOYSA-N 414.535 1.037 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1359000104 LQUUNDYPYZHMRY-JKSUJKDBSA-N 405.524 1.815 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C1CCCCC1 1359000393 UKLBXDIDYAMRNX-OAHLLOKOSA-N 424.571 1.139 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359013668 HSSHPNBKLDXFBT-FQEVSTJZSA-N 418.519 1.175 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc([C@H](C)O)cc2)CC1 1359028432 RUNODZWSPAIEFY-KRWDZBQOSA-N 410.522 1.273 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc3[nH]ccc23)CC1 1359028662 ZSGALADPIJYNHF-UHFFFAOYSA-N 419.533 1.896 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1359053010 YCGJDTJCOUJHRE-LJQANCHMSA-N 423.481 1.729 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359147015 QMQIGZBZRHQMAJ-HZPDHXFCSA-N 401.854 1.929 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359230040 COFWNMVCLNVAQO-BMFAXAFESA-N 419.526 1.310 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCS1 1359240075 FNLZBYOXDURXRA-UONOGXRCSA-N 401.558 1.129 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1359299619 JUTAPWHNBMVCCY-ZWKOTPCHSA-N 402.543 1.539 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(C)CN(C)C2=O)C1 1359312370 TZNBAWVTMBFHGB-IIBYNOLFSA-N 418.542 1.456 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)NC)C1 1359316750 VOECWUFZIBEAKN-GOSISDBHSA-N 419.551 1.838 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)N2CCOCC2)C1 1359319961 JOXCOMIKBIAILP-IPMKNSEASA-N 405.543 1.674 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359469843 LRGZERJHPADRTJ-YVEFUNNKSA-N 424.914 1.139 30 10 HDEE CC(=O)N1CCC[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1436122907 DLQVZYYNAIUPKP-WMZOPIPTSA-N 411.462 1.138 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(c3ccc(C#N)cc3)C1)CCO2 1439220002 LJGRRGHZVSAKRD-IEEPAPPKSA-N 411.458 1.528 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1447479668 FXIQBCFKQJPVLB-WMZOPIPTSA-N 423.473 1.786 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1COc2cc(F)ccc2C1 1453635247 DWSLFPRDEXWBSD-WBMJQRKESA-N 403.435 1.484 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)c1=O 1458447478 LVHUTGZYYWNEBK-AWEZNQCLSA-N 404.220 1.778 30 10 HDEE CC(C)[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1nc(-c2nc[nH]n2)no1 1459907217 BQAAQBKKFCCHJT-HNNXBMFYSA-N 405.418 1.441 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](c3n[nH]cc3NC(C)=O)C2)c1 1459935632 RPBVVCZQMUHKNQ-INIZCTEOSA-N 408.462 1.877 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H](C)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1460865356 ZESFQZUNJVWJDC-LPHOPBHVSA-N 400.479 1.621 30 10 HDEE C#CC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)CCCC1 1462444030 SYDHGGQOLLYQSL-UHFFFAOYSA-N 422.503 1.919 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(c2cnccc2C#N)CC1 1468537833 JKRYDNHLDVDLBX-GOSISDBHSA-N 423.477 1.817 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H](O)COc1ccccc1C(F)(F)F 1469507152 GADAHNCLNXTYBI-ZDUSSCGKSA-N 424.441 1.687 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1470539755 QPOPQMDBVUWPPT-ZBFHGGJFSA-N 417.897 1.779 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1471409897 HKXHSROMONBKEZ-MRXNPFEDSA-N 403.458 1.070 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](Cc3nccs3)C2)c1 1472623208 WUWLUKSECSIDPU-HNNXBMFYSA-N 404.517 1.774 30 10 HDEE N#Cc1cc2cccnc2nc1N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1472637579 FYXMKYITMAFXTP-UHFFFAOYSA-N 424.442 1.921 30 10 HDEE CNC(=O)Cc1noc(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1473847870 GHWKDHBYGLOCRY-RNFRBKRXSA-N 422.276 1.961 30 10 HDEE CC[C@H]1CCCCN1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1499462192 AROWFBJLQYZGOG-DLBZAZTESA-N 403.531 1.410 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2OCC[C@H]2C)CCO1 1503771656 JHCFOSVNCXNAFT-OLMNPRSZSA-N 410.478 1.193 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)c(OC)c1 1504183510 BFKADJGJAKYJJD-ZUOKHONESA-N 414.441 1.683 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3F)n2CCC[C@@H]2NC(=O)NC2=O)C1 1505314570 GRGRQXZLWUEBAX-LIRRHRJNSA-N 415.404 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cccc(F)c1 1507643666 XUCDMNYTGANLKR-OAHLLOKOSA-N 419.482 1.179 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)n(C)c1=O 1507713554 OKHTZNCPCKAOTI-UHFFFAOYSA-N 423.521 1.281 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)C2CCCCC2)CC1 1507716701 TWWSIKWWWNQQDV-QFIPXVFZSA-N 416.570 1.503 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnnn1C 1507818852 YQXSGJIBBZJSFO-UHFFFAOYSA-N 419.493 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1508078989 MCBPFLYPJJFDAL-AZUAARDMSA-N 424.549 1.713 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccccc2F)C[C@H]1C 1508094987 RHPXBTPPTKHCMX-MRXNPFEDSA-N 416.501 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CC[C@H]1C2 1508132037 UJMDSOLBFCHAPK-GJZGRUSLSA-N 416.507 1.515 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(OCC(N)=O)c1 1509174006 BCBDHESNJYTYMA-HXUWFJFHSA-N 400.458 1.831 30 10 HDEE Cc1ncc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)s1 1511596898 GROCJMVYSFJNDO-DNVCBOLYSA-N 418.523 1.861 30 10 HDEE CC[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1513469524 OTONDUBOZGIANK-GOSISDBHSA-N 421.509 1.697 30 10 HDEE Cn1cc(CCCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)cn1 1517380839 FWSZHYPYIAAQJF-UHFFFAOYSA-N 410.526 1.897 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1517776269 BNGQILJUKQJOPK-VDZJLULYSA-N 424.505 1.821 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1518968302 UJMYSZPIVKPXAV-ORAYPTAESA-N 404.471 1.389 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCc3ccc(C#N)c(F)c3)C2=O)cc1 1525458538 MGJIIEGNYIORGW-NRFANRHFSA-N 410.405 1.789 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)Oc2cccc(OCC#N)c2)C1=O 1528284050 ULIKPGYGSWNIKF-OAQYLSRUSA-N 409.398 1.970 30 10 HDEE COCCN(C(=O)Cc1ccc(Br)cc1C#N)[C@H]1CCS(=O)(=O)C1 1531731754 GPWZVWRKYNJKOG-HNNXBMFYSA-N 415.309 1.525 30 10 HDEE CC(C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1ccccc1F 1538308336 ATVAMXDQUOXMHL-DJJJIMSYSA-N 417.466 1.540 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1539167844 NJELGPSBOMNCNF-MRXNPFEDSA-N 406.494 1.416 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539225492 OHSPYNAFPVPKNL-UTKZUKDTSA-N 420.579 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(Cl)cn1 1539318011 KTOMWJPSRFZDKG-INIZCTEOSA-N 412.881 1.820 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1539705026 MBQMROLFZOSGMS-IAGOWNOFSA-N 423.583 1.446 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](C(=O)NC)C1 1540867690 DSSZQGVOKALMNB-AWEZNQCLSA-N 416.913 1.863 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1541111754 BKUBAZNHSYRLKQ-ZDUSSCGKSA-N 413.482 1.647 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC(=O)OC)c1ccc(F)cc1)c1cc[nH]n1 1542273233 JDISVENLHFXNDX-OAHLLOKOSA-N 420.397 1.253 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCCO)c(OC)c1 1543231327 RPCGGZRZZPQVDW-MRXNPFEDSA-N 406.479 1.989 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CCSc3ncnc4[nH]cnc34)CC2)nc1 1546313549 HBAQPTWYGTVFLB-UHFFFAOYSA-N 408.491 1.887 30 10 HDEE COC[C@H](Cn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)OC 1555252743 CDBNJEKPGDIGMG-ZBFHGGJFSA-N 412.498 1.194 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C2CCC2)CCO1 1555994565 XUONUBYVQIZGBV-SJORKVTESA-N 402.499 1.207 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nnc(C3CC3)n2C2CC2)c1 1556102558 KIJGMYXWBDLZTE-UHFFFAOYSA-N 403.439 1.857 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)C1=O 1556383040 DODIWKWPAVZPQM-RHSMWYFYSA-N 417.510 1.881 30 10 HDEE C#CC[C@H](NC(=O)CCn1cnc2ccc(Br)cc2c1=O)C(=O)OC 1556971471 ZEIPLOOMJOWQBF-AWEZNQCLSA-N 406.236 1.230 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1557938959 WSHKFBVYQLEYLQ-KGLIPLIRSA-N 418.512 1.035 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCO)Cc2cc(OC)ccc2OC)c1 1559536489 WODXQXSKHXVMSP-UHFFFAOYSA-N 411.458 1.828 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)c(C#N)cn1CC 1562960232 HDOPELATDPCHRC-KBPBESRZSA-N 405.455 1.314 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 1564067458 IYIJBNIHYDBYIY-QZTJIDSGSA-N 405.520 1.891 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)nc1 1567216061 HNIUGBPRRWXANW-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE C#CCN1CCCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1586497571 XLFSOAFMXPIPEB-REWPJTCUSA-N 413.518 1.970 30 10 HDEE C#CCCN(CCOC)C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O 1586965479 GYMCSGBJJIONRC-GFCCVEGCSA-N 407.264 1.932 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1588138517 DYQVKSNZIRDGAU-ZWKOTPCHSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1588384822 BVZZTYRACHZECN-SFHVURJKSA-N 424.530 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNC(=O)c2ccc(C)cc2)CC1 1588891533 QMKOJIDALIJIEY-UHFFFAOYSA-N 408.506 1.291 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](COC)C1 1589070063 QHPPDPINSIVKQK-HZPDHXFCSA-N 412.581 1.409 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(CN2C(=O)c3ccccc3C2=O)c(C)o1 1595583883 IFDXULOPAMSCMW-UHFFFAOYSA-N 409.398 1.913 30 10 HDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)cnn1CCC#N 1596646178 CAQLKHCAKPJRRE-UHFFFAOYSA-N 409.493 1.774 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1 1597332574 OFSIVDJCKKETGM-UHFFFAOYSA-N 407.492 1.319 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(O)Cc1ccccc1Cl 1611650784 KJEDKSXICJOAQV-LLVKDONJSA-N 400.888 1.775 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CCCO1 1612657091 AMQACTGZVUBBJJ-AOMKIAJQSA-N 424.505 1.965 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(=O)NCC(F)(F)F 1619913649 JWJSCVKEOPASJO-GFCCVEGCSA-N 404.393 1.175 30 10 HDEE COCCOCCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1620081498 FNKXLASCNKYMME-RBUKOAKNSA-N 411.478 1.424 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1620356363 XQLQVBKDUUUUHQ-HOCLYGCPSA-N 421.452 1.358 30 10 HDEE COC(=O)CCN(CC(=O)OC(C)(C)C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 1620532376 IWWWHWGQFPYMGU-QGZVFWFLSA-N 401.463 1.870 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1)c1cc[nH]n1 1623629724 HMDOBWGIMVEUGR-WBMJQRKESA-N 406.414 1.461 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2=CS(=O)(=O)CCC2)c1 1625970127 RGWMOFXZZOXVBK-KNTRCKAVSA-N 411.505 1.530 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)OC 1626184124 PCIHHZROOUWKDM-GOSISDBHSA-N 400.456 1.460 30 10 HDEE CCOc1ccc(NC(=O)c2cc(C#N)[nH]c2C)cc1S(=O)(=O)N1CCOCC1 1628904448 FVBURDZLQVICGG-UHFFFAOYSA-N 418.475 1.867 30 10 HDEE C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)CN1CCOCC1 1629894795 GJLWGMXPZKZLNX-GOEBONIOSA-N 404.898 1.649 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)c1 1631436935 OJRLZOOUTXHQKZ-QGZVFWFLSA-N 410.467 1.420 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1632240615 QVFIXDJRQHBXNU-UHFFFAOYSA-N 406.490 1.363 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@@H]32)c1 1632268083 KGQGOHYULHJZOC-FHWLQOOXSA-N 418.515 1.792 30 10 HDEE C=CC[C@@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OCC 1632656731 WEDMSOJEVKSQFR-QGZVFWFLSA-N 418.490 1.993 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCC(=O)N(c2cccc(F)c2)C1 1632880017 CEBLOSJTSDRXNO-HGENEIFLSA-N 400.410 1.211 30 10 HDEE C=CCOC[C@H](NC(=O)c1c(F)ccc(S(=O)(=O)CC2CC2)c1F)C(=O)OC 1635158534 DCJCLCXXDYFYFJ-ZDUSSCGKSA-N 417.430 1.623 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(CC(C)(F)F)CC1 1636177441 LVLSXTICMQHIPJ-ZDUSSCGKSA-N 400.451 1.024 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC2(CC(=O)Nc3nccn32)C1 1636777730 PPMFOOBKCHUFRE-LBPRGKRZSA-N 409.874 1.799 30 10 HDEE C=CC[C@@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C(=O)OCC 1638326700 VVJYJPKFDAMUOR-MRXNPFEDSA-N 410.430 1.454 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3CCC(N4CCOCC4)CC3)CC2)c1C#N 1638688733 FNNQVHXAUCWUOH-UHFFFAOYSA-N 400.527 1.140 30 10 HDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1640561070 VGKYQNARSFPVNQ-QHCPKHFHSA-N 412.405 1.625 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(OC2CC2)c1F)c1cc[nH]n1 1641023591 CVBSDOWLBAJOQC-UHFFFAOYSA-N 404.398 1.690 30 10 HDEE N#Cc1ccc(CCNC(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn23)cc1 1641353941 MCJIBIGMMOJFLB-UHFFFAOYSA-N 400.398 1.932 30 10 HDEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@H](C)O)c1ccc(Cl)cc1 1642102758 ASZZNNXMYMDTMO-PJODQICGSA-N 412.920 1.920 30 10 HDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2n[nH]cc2C#N)C1=O 1643356729 NIHOWEJJZPXGFZ-INIZCTEOSA-N 417.223 1.450 30 10 HDEE C=CCC1(NCC(=O)NN2C(=O)N[C@](C)(c3ccc(OC)cc3)C2=O)CCCC1 1643837470 IZMUYYKBCHMCTB-HXUWFJFHSA-N 400.479 1.972 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)c2cccc(OC)c2)s1 1644295310 QIECNVNEHBWOMI-UHFFFAOYSA-N 408.501 1.763 30 10 HDEE Cc1cc(O)nc(N2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)n1 1644535749 GXBBKVATWFDMPT-LBKMDBTOSA-N 400.527 1.932 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1645711871 IBPMUUAFUYFQKE-CQSZACIVSA-N 417.491 1.288 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1(C)C 1648028744 MJXNSRSTHNAREU-KGLIPLIRSA-N 417.466 1.143 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 1648327140 BEHPALRQHCCDMO-QGZVFWFLSA-N 421.910 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](c2n[nH]cc2C(=O)NC2CCN(CC#N)CC2)C1 1648545006 VNHWWLPNWOYMKR-AWEZNQCLSA-N 402.499 1.852 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](CCO)[C@@H](CO)C2)nnc1-c1ccco1 1648861268 QQNPHERDWYGUPZ-HUUCEWRRSA-N 406.508 1.656 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)cc1 1651530181 OFQXEBOBMXQXHQ-OAHLLOKOSA-N 407.492 1.337 30 10 HDEE COc1cccn2c(=O)n(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)nc12 1652903347 MBYHRKAVUOUNQH-UHFFFAOYSA-N 404.348 1.691 30 10 HDEE COCCN(CC#N)CC(=O)Nc1cccc(S(=O)(=O)N(C)c2ccccc2)c1 1654643907 SYEFSJNQOZCDBD-UHFFFAOYSA-N 416.503 1.922 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H](NC2CC2)C(F)(F)F)c1 1654849529 WPYZKKWZMXAMHH-OAHLLOKOSA-N 405.442 1.954 30 10 HDEE COC[C@](C)(CC(=O)OC)NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1657643474 QFJIYGVDLCMDRU-SFHVURJKSA-N 400.397 1.731 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1)C(=O)OCC 1664951553 MYGQFAILXQTXRA-CQSZACIVSA-N 409.913 1.833 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1)C(=O)OCC 1664951743 PMVLYLJZNZVBRR-HUUCEWRRSA-N 409.932 1.956 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 1665329522 IYCBRHNNABTERH-JTQLQIEISA-N 421.269 1.991 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 1666627155 VWGBOTKCYGPTRB-GOSISDBHSA-N 408.524 1.187 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1)C2 1670596883 ASFZGFIUBLDAJX-SNVBAGLBSA-N 406.493 1.348 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(S(C)(=O)=O)c1 1671331800 GIIUQBJNLZFMEU-UHFFFAOYSA-N 416.507 1.666 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3C[C@H]3c3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1672174740 ABLQADLMGPBRIT-CQPIRRRNSA-N 424.320 1.885 30 10 HDEE CSc1ccc(CNC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1C#N 1676035514 PLKUNVUEQMFXCF-CQSZACIVSA-N 401.536 1.774 30 10 HDEE COC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1680655044 VGFKJADKNKTDKI-HNNXBMFYSA-N 403.826 1.428 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1)C(C)C 1681567954 LXKGJZUZHOWFRT-GOSISDBHSA-N 403.531 1.422 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)C1 1683593996 GPQURNSMIQXHSB-DLBZAZTESA-N 406.527 1.106 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 1684035669 KZWBYXXFGLCYES-IHPCNDPISA-N 404.555 1.437 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 1686020402 QJQUHBCWMLWZJJ-UHFFFAOYSA-N 421.519 1.713 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CC(F)(F)CO2)CC1 1690110331 HELXSYXMKDQMPC-MRXNPFEDSA-N 424.496 1.376 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 1690110446 MTKKJESICZMYGQ-IBGZPJMESA-N 401.603 1.357 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC(C)(C)C(=O)NCC)CC1 1690117764 UTBLRNTURYWPRD-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(C)(C)C2CC2)CC1 1690124713 RYBUTKXZEIERRC-KRWDZBQOSA-N 419.595 1.762 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H](COC)OC)CC1 1690131990 CMKJSFOKOWVLMF-FQEVSTJZSA-N 413.522 1.582 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](OC)C2CC2)CC1 1690148343 DFQAVXURSSNHQF-FQEVSTJZSA-N 422.533 1.655 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCCS1(=O)=O 1690609377 MHGIOFQMBHFDPP-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690633175 NQASSVWKLIJUPP-QGZVFWFLSA-N 405.462 1.769 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCN(C)C(=O)C1 1690720325 FUSKVYAGVSVDMU-UHFFFAOYSA-N 423.926 1.478 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NCC1CC1 1694325231 AWZUALOHKNOZIM-IBGZPJMESA-N 405.478 1.165 30 10 HDEE CCn1cccc(Cn2c([C@H]3CCCO3)nnc2N(CCC#N)CCOC)c1=O 1695800662 ZBJDMQFWRNTIDS-QGZVFWFLSA-N 400.483 1.726 30 10 HDEE COc1cccc(OCCCn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)c1 1697544611 NFXOJVLILCOHCP-SFHVURJKSA-N 421.461 1.942 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc2c1OCO2 1705477576 PVRABXATNYUXJM-OLZOCXBDSA-N 405.480 1.123 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1705492417 QFESNIYPKAMCJC-RCCFBDPRSA-N 407.584 1.759 30 10 HDEE C#CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1705527668 GSDCFAVLRKAOEA-GOSISDBHSA-N 406.490 1.068 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCC2CC2)C1 1705532091 FWVNOZBAEQCLJX-ROUUACIJSA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1705547297 BWRIGCGFLUARRL-UHFFFAOYSA-N 407.482 1.153 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705575990 BZKMQWOARLXAKJ-LJQANCHMSA-N 418.906 1.221 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705739113 VPJJKODZWOSQJT-UHFFFAOYSA-N 421.505 1.513 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccn(C)n2)CC1 1705781352 WQUADIVXATUQIJ-CQSZACIVSA-N 407.544 1.267 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](Cn3nc(C)cc3C)C2)nnc1C(C)(C)C 1705908878 IWMOFUGCTMFEII-KRWDZBQOSA-N 415.542 1.597 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(COC)CCOCC2)C1 1705922888 VEOCRNZTLHWVGI-SFHVURJKSA-N 416.526 1.903 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cnn(C)c2)C1 1705929345 OYOSKLFOALZJFB-GOSISDBHSA-N 413.526 1.548 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)[C@@H]1C 1708112736 QJTCKPMTJJNDOE-HUUCEWRRSA-N 402.524 1.991 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1711521885 XIKLPJGLDJIWLG-OAHLLOKOSA-N 410.478 1.575 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCNC(=O)C(C)(C)C 1712453171 DNIXZUISZYWMND-UHFFFAOYSA-N 401.515 1.812 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1722320785 KFWIYTKDYGOUPA-UHFFFAOYSA-N 400.508 1.352 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc2c(s1)CCCC2 1722351975 MMMNRQRGNFOLSO-CQSZACIVSA-N 419.576 1.828 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1722361543 ODNNSGXFIDTFBE-HNNXBMFYSA-N 414.516 1.472 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCc1nnc2n1CCCCC2 1722378011 OAUPKMPXMYZHDM-UHFFFAOYSA-N 400.490 1.974 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC=C 1722383684 WIJOCGQABXLQRB-UHFFFAOYSA-N 403.533 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1722396699 IYIHTUSMRBGRFF-QGZVFWFLSA-N 414.506 1.906 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1ccn(C)n1 1726775428 HJSMLBZFNOUQGZ-VBKZILBWSA-N 409.450 1.746 30 10 HDEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1728267353 WIQAQOGKPWPHJU-UHFFFAOYSA-N 408.510 1.302 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1728655392 CQXXTMKHUNMLAN-MGPUTAFESA-N 404.490 1.920 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1731182206 QYQSYOQVKLTZIE-MOPGFXCFSA-N 424.505 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1740549265 LGXPMMHGZUIRIS-SOUVJXGZSA-N 404.515 1.990 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1740623651 YKUZBUNQASWBGZ-HZPDHXFCSA-N 405.524 1.212 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1740663809 UNLLLQDRWQIJLB-KRWDZBQOSA-N 403.449 1.884 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2C[C@H]3CC[C@H]2C3)CC1 1740690998 RTXBOAKVXGBVRV-VSZNYVQBSA-N 420.583 1.080 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@](C)=O)CC1 1740736837 XYYPLALYUMOCOZ-PCOOWLHVSA-N 406.552 1.905 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1740795290 RLXOCUJQWWYSIE-KRWDZBQOSA-N 411.572 1.303 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740801755 FZZIGLFKQBRJSJ-UONOGXRCSA-N 417.963 1.772 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740884322 XGVGVPLONDHFKA-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)c1ccccc1 1740898977 BXSLDDLCRBBZDH-OAHLLOKOSA-N 424.548 1.276 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(CCS(C)(=O)=O)C1CC1 1740947980 OBYLHMQWUQSKNW-UHFFFAOYSA-N 400.508 1.716 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1741982708 AAYDYAQCJWNPKY-VLIAUNLRSA-N 401.515 1.664 30 10 HDEE COC1(C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748485379 VVQIBVYVLQALGG-HNENSFHCSA-N 423.477 1.015 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748746009 XKDUTWLTUYXAGQ-XLIONFOSSA-N 424.553 1.081 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1748847085 OSKHAYMRIPMGRX-AWEZNQCLSA-N 414.516 1.011 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCN1C1CC1 1748901420 XFKLKJRPYJAYMW-FQEVSTJZSA-N 408.550 1.880 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1749020531 WNSCXGRHAAXCLI-SJORKVTESA-N 403.552 1.886 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1749032118 WFEFTLGCIWMDGK-UHFFFAOYSA-N 402.524 1.121 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1749663690 NFNVXGUTNNUBAU-UHFFFAOYSA-N 413.526 1.659 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2nnn(C)n2)C1 1749718547 FIKLZRZJLLJVKV-INIZCTEOSA-N 414.445 1.349 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1752323206 GDVBOXPSEUMFFS-LZICOFPGSA-N 423.477 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC(C)C)nc1 1760192977 QFUUMERPESLHBX-UHFFFAOYSA-N 406.490 1.817 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1760194686 OFYPFRNCSRAXSF-HNNXBMFYSA-N 403.483 1.343 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCSC1 1760219807 ONQKJMWPVFUHIL-IRXDYDNUSA-N 406.577 1.786 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)OC)CC1 1760260459 SYGLCPDEKLGXHV-UHFFFAOYSA-N 421.505 1.774 30 10 HDEE C=CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1760424544 LLAZIMVGSFOSCU-UHFFFAOYSA-N 422.497 1.032 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 1760453309 RZGKPTXTWOKCEZ-WFXMLNOXSA-N 422.526 1.591 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@H]21 1760526137 FODBAQYOOYVVKE-ZIAGYGMSSA-N 400.508 1.561 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1760538510 ZKOIOVNURSJZIU-MRXNPFEDSA-N 416.432 1.979 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1760696493 QZMDKOBXKQMXKF-DOTOQJQBSA-N 412.494 1.904 30 10 HDEE CC[C@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1763362093 QFHWLAVPDKPBSJ-HFUDNHEJSA-N 415.498 1.322 30 10 HDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H](C)C#N)S(C)(=O)=O 1766869624 DIRNFSIFXAFBRD-HOTGVXAUSA-N 412.560 1.440 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCC=CO2)CCO1 1767712157 FWDYYFUXXIDSAB-ZWKOTPCHSA-N 408.462 1.461 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1768452299 DKIKUIACXZEXPF-CQSZACIVSA-N 408.384 1.672 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCOCC2)CCO1 1770751396 ICXUMWAVXVLBAV-KRWDZBQOSA-N 402.524 1.381 30 10 HDEE C=CCN(C(=O)COc1ccc(I)cc1)[C@@H]1CCN(C)C1=O 1850972979 YQOASMWOFVJETR-CQSZACIVSA-N 414.243 1.915 30 10 HDEE O=C(c1ccc(Cn2cnnn2)cc1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851539673 LVVVYRAWEINWJE-UHFFFAOYSA-N 416.385 1.596 30 10 HDEE Cc1ccc(-n2cc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)nn2)cc1 1852410049 CCGVTBNSGMCWJL-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3CCc4c(ncn4C)C3)c(C#N)cc2C#N)CC1 1852760949 CUALLZWCUWYJIR-CQSZACIVSA-N 404.478 1.054 30 10 HDEE CN(C)c1ccnc(N(C(=O)CN2CCCS2(=O)=O)c2ccccc2F)c1C#N 1853216693 MCZSEKBWYZOLRB-UHFFFAOYSA-N 417.466 1.859 30 10 HDEE COc1cc(CC(=O)NCC#CCN2CCOCC2)c(OC)cc1Br 1853324203 APLAFHJMXYTXPP-UHFFFAOYSA-N 411.296 1.461 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N(C)C)C2(C)CCN(C)CC2)CC1 1853414163 JMMPDOBBTXJIBK-UHFFFAOYSA-N 400.545 1.165 30 10 HDEE Cc1ccc(C2=NOC3(CCN(C(=O)CCON=C(N)c4cccn4C)CC3)N2)cc1 1853600316 NSKQAEQSCGGLID-UHFFFAOYSA-N 424.505 1.661 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC4(CC3)CC4(F)F)CCC2=O)CC1=O 1853710837 WBKZQKJOCUEBBZ-HZPDHXFCSA-N 409.477 1.907 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(C)n(C(C)C)n2)C1=O 1853789796 OIOOAFOBTQLOTG-QZTJIDSGSA-N 401.511 1.622 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC(F)(F)CC3)C(=O)C2)cc1 1854038721 XKKDZVWQCAVQEK-UHFFFAOYSA-N 411.430 1.743 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(CCC)on2)C1=O 1854101987 ZZOXVBKBAINEJR-QZTJIDSGSA-N 402.495 1.867 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)CCN1CCCC#N 1854282037 ZRFCPRXVBHUCPY-CABCVRRESA-N 408.499 1.721 30 10 HDEE COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@@H](C)C3=O)ccc2c1 1854783804 MOJQISKHPIPSKO-ZDUSSCGKSA-N 401.444 1.375 30 10 HDEE CN1CC2(CCN([C@H]3CCCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)CC1=O 1855068431 WKHLKMXMDHTNFS-IBGZPJMESA-N 408.502 1.563 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCCC2 1856309275 KJWBWNVNIHZSSZ-UHFFFAOYSA-N 419.503 1.980 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)Cc3ccccc3F)C2)C1 1856391854 XJDOFJPXAOMOHR-HNNXBMFYSA-N 408.433 1.773 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Cn3cnc4c3CCCC4)C(=O)C2)C1 1856827712 DMWKTIHIJNZFLX-RBUKOAKNSA-N 413.566 1.719 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4cccnc4)C3=O)CC2)n1 1856972683 XSQMBAWWBWOXRC-IBGZPJMESA-N 405.458 1.880 30 10 HDEE COc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857018679 KISIBOOBPNQDFK-MRXNPFEDSA-N 405.476 1.249 30 10 HDEE Cc1cnc(N(C)[C@H]2CCN([C@@H]3CCN(C(=O)c4ccc(C#N)cc4)C3=O)C2)nc1 1857146116 KUCDJJDPLQZWBA-RBUKOAKNSA-N 404.474 1.609 30 10 HDEE C[C@H](Oc1cccc(F)c1)C(=O)N1CCN([C@@H]2CCN(CCCC#N)C2)CC1=O 1857156082 LWGCHTYQFBDFMN-FUHWJXTLSA-N 402.470 1.642 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)C1 1857232253 RDPKJBVNPLCBOY-WBVHZDCISA-N 416.522 1.854 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1857235813 RYBRFKLOWQTHME-WMZOPIPTSA-N 401.511 1.591 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnc3ccccc3n2)C1)[C@H]1CCN(C)C1=O 1857276519 CJHMWBNFAKSATH-KXBFYZLASA-N 407.474 1.337 30 10 HDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccccc2F)C1=O 1863293592 LXKYKIHXRMCABP-UHFFFAOYSA-N 401.419 1.851 30 10 HDEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CCOC 1869929282 DYWJOCUBIYFQTO-YOEHRIQHSA-N 411.524 1.261 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1C[C@@H](C)O 1870671274 XGFLJMFUHBPAMF-QGZVFWFLSA-N 408.495 1.362 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(CCO)CC3)ncnc2n1Cc1ccccc1 1873583666 ZEXCPBFRRXXCCK-UHFFFAOYSA-N 420.517 1.510 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873594370 SNCOUKKXSAHDEB-GJZGRUSLSA-N 409.494 1.927 30 10 HDEE N#C[C@@H]1CN(C[C@H](O)CN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1883411900 WWNQCFVMXRIZLU-MOPGFXCFSA-N 404.470 1.353 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(C(=O)c4ccc(C)c(C#N)c4)C3)n2)n1 1889716919 WFTXKLZXPWIPNH-UHFFFAOYSA-N 402.458 1.998 30 10 HDEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC[C@@H](Oc3nccnc3C#N)C1)CS2 1891266377 RWNXBDWDNVCLTA-ZIAGYGMSSA-N 412.475 1.320 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1[C@@H](O)[C@@H](O)CN1C(=O)OC(C)(C)C 2022807085 NOKRKILNFKOHDI-AVGNSLFASA-N 405.289 1.251 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1)C(=O)OC(C)(C)C 2118166295 DEPMLKRTGPCKOL-VWLOTQADSA-N 408.546 1.431 30 10 HDEE C[C@H](NC(=O)N(C)Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2203126361 ODMHMTBIFHWFSW-LLVKDONJSA-N 402.347 1.579 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247836802 IPFOLVUXTPDYSZ-UHFFFAOYSA-N 420.319 1.763 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@@H]21 2247934009 WEUYYOPSMXPKIY-HRCADAONSA-N 420.315 1.904 30 10 HDEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCC1 2280550013 FLLKCADPYBRMGI-UHFFFAOYSA-N 402.561 1.788 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C2OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2281833445 BFLJMRXMRBGSDO-INIZCTEOSA-N 403.284 1.972 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](N)CC[C@@H]1C 2282306873 UBFVEYIKGLGIES-WCQYABFASA-N 400.375 1.856 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315345 MNNUPDIJLGZUQB-VXGBXAGGSA-N 421.415 1.746 30 10 HDEE C[C@@H]1CCSCCN1S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282334762 GFTOLKYSOKTVIR-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CCN([C@H]1CCC[C@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335304 NUFZDPBPWZIPJB-UONOGXRCSA-N 401.359 1.971 30 10 HDEE CCn1c(O)nnc1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337943 NYWUNLGFFBREGZ-UHFFFAOYSA-N 400.291 1.165 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@H](O)CC2)OC1(C)C 2282497044 KYLFTAHYWHSLIP-HDJSIYSDSA-N 401.359 1.770 30 10 HDEE CC(C)N(CCN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282501464 XKWRKTPZNPKNFR-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CS[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508207 SLZMBKYWEUYETR-CMPLNLGQSA-N 401.363 1.200 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511977 QCXNOZAARNVHEG-VWLOTQADSA-N 422.765 1.902 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCC[C@H]2N)OC1(C)C 2282831574 ARUQIELUWOUSMF-ZIAGYGMSSA-N 400.737 1.797 30 10 HDEE CN([C@]1(C)CCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840898 QJRQEDVTHXUPHM-MRXNPFEDSA-N 402.347 1.383 30 10 HDEE C[C@@H]1CNC[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282843459 NUEJECNKXWUZPB-QWRGUYRKSA-N 420.793 1.977 30 10 HDEE C[C@@H]1CN(C)CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849253 YQYLZVJLZXRELY-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CC[C@](O)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861348 MUEVISRYXKLHNM-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE C[C@@H](CCC(=O)O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284412799 FDENEGGCMYBWIL-NSHDSACASA-N 403.331 1.827 30 10 HDEE CN(CC(F)(F)C(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2295351988 VKVRPQJYLCLLKJ-UHFFFAOYSA-N 411.257 1.388 30 10 HDEE COc1cccc(C=CC(=O)[C@@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 2328107006 QTJYIVDLVCVHCH-CTNGQTDRSA-N 421.497 1.944 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2342052477 UVHMSLJBCFYTOW-HUUCEWRRSA-N 402.582 1.885 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1OCC[C@@H]1CNC(=O)OC(C)(C)C 2365215564 LLEKOEOAEIMRCM-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2367814474 BEEQKPWHTFMBTR-VKJFTORMSA-N 402.557 1.455 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367825374 ZGPXGTWXSNULHA-DOXZYTNZSA-N 400.541 1.292 30 10 HDEE C=CCC1(N[C@@](C)(C(=O)O)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377178427 OIHLHWPPFLCSFZ-CXAGYDPISA-N 402.513 1.420 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2F)CC1 27558730 NOALJHNTOOGJGP-UHFFFAOYSA-N 413.291 1.447 30 10 HDEE C[C@H]1C[C@H](C)CN(c2nccn3c(=O)n(CC(=O)Nc4ccc(C#N)cc4)nc23)C1 65151874 XYRMJOPAYVECQO-GJZGRUSLSA-N 405.462 1.884 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(O)cc(F)cc3F)CC2)cc1 66042440 TXIDFUCHIBPEBB-UHFFFAOYSA-N 407.398 1.689 30 10 HDEE COc1ccc(/C=C\C(=O)N[C@H](C)C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 97664409 OXJSBIKBKNTFOZ-OAPIPEPISA-N 401.463 1.811 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2cnc3ccccc3c2=O)cc1 109934490 MJBCZODOPRZUQO-SFHVURJKSA-N 419.466 1.808 30 10 HDEE Cc1cc(C)n(-c2cncc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)n1 301187555 QAMATABSQFJVGV-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE COc1cc(CN2CCN([C@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)ccc1C#N 442847256 CCMCIVTVYUSUTK-FQEVSTJZSA-N 422.533 1.922 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@](COC)(C(=O)OCC)C3)cc2C1=O 467793776 XEBIJDVRJNMQPL-QFIPXVFZSA-N 414.458 1.901 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473438754 DUHXAMFDMVCFSY-AWEZNQCLSA-N 417.491 1.029 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 479052603 DUQZTLWTPKUBFM-DLBZAZTESA-N 408.476 1.042 30 10 HDEE N#CC1(NC(=O)CN2CCN(c3ccccn3)CC2)CCN(Cc2ccccc2)CC1 482636483 TYAXKGSTVBWPRA-UHFFFAOYSA-N 418.545 1.878 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 497374817 QJIDRJNMGGCOPX-NVXWUHKLSA-N 404.492 1.009 30 10 HDEE COC(=O)[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1ccccc1 504964316 XJJFWHZJWPYUCA-IEBWSBKVSA-N 420.425 1.794 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2CCN(c3ccc(C#N)cc3F)CC2)C1 507211622 UMDAGTPZODWQOE-LJQANCHMSA-N 417.529 1.292 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1-c1ccccc1C 512743772 ZUWNEHVADMFOAJ-UHFFFAOYSA-N 419.510 1.229 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@@H]2CC(F)F)CC1 513382624 YBACCVDTBGAJDU-ZWKOTPCHSA-N 410.440 1.891 30 10 HDEE CCn1c(-c2ccccn2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 555020169 HCLQNSIAGBCWSJ-UHFFFAOYSA-N 423.502 1.743 30 10 HDEE N#CCNC(=O)CNC(=O)c1nnn(-c2ccc(Br)cc2)c1C1CC1 579575754 QKCOAHBIYSTOCI-UHFFFAOYSA-N 403.240 1.277 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC2(C#N)CCC2)s1 583962075 CVPLGHKAAKRVAJ-UHFFFAOYSA-N 419.594 1.934 30 10 HDEE N#Cc1nccnc1N1CCN(c2ccc3ncnc(O[C@@H]4CCOC4)c3c2)CC1 585566520 VETFPUWDFKHMRZ-MRXNPFEDSA-N 403.446 1.786 30 10 HDEE COc1cc(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)sn1 717661908 HFTDMHCMPJYIIC-UHFFFAOYSA-N 403.316 1.708 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1ccccc1Br 727448385 IWSSIBYFCIWJLS-JOHMGYAOSA-N 418.334 1.872 30 10 HDEE CCOc1ccccc1N1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1=O 731862444 FUYMDBIGIYAIAM-HFGXJBEUSA-N 412.446 1.081 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1nnc(Cc2ccccc2F)s1 732434570 BTMHIIOIDUKVNV-FOCLMDBBSA-N 416.438 1.916 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)cc1 732647642 JAJQVKAGVBPOSP-IEBWSBKVSA-N 416.547 1.595 30 10 HDEE CN(CCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)S(=O)(=O)c1ccc(F)cc1 732649124 BGWLUZIRBQDYRF-KRWDZBQOSA-N 408.499 1.425 30 10 HDEE C=CCn1c(Cc2ccccc2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 735073305 MLICIKAZOBHGPJ-MRXNPFEDSA-N 407.565 1.772 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC([C@H](C)O)CC1 736199850 XZMSWGVHGXRTIR-YOEHRIQHSA-N 407.536 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 749022048 HDZPKSRIHNTURR-SFHVURJKSA-N 411.455 1.853 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1cccc(C#N)c1 751636466 RQCBIUGTMZRZQZ-YVEFUNNKSA-N 420.418 1.822 30 10 HDEE CCNS(=O)(=O)c1ccc(CC(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 759684862 DCMLGYAPEXQFCS-IBGZPJMESA-N 416.455 1.856 30 10 HDEE CCCOc1cc(F)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 760106284 GJNMWWUXYJABKW-WUKNDPDISA-N 404.398 1.196 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccnc1-n1ccnc1 764759707 FROUSNVWWBOAJB-AWEZNQCLSA-N 410.459 1.122 30 10 HDEE O=C1N=C(NN=Cc2c(-c3ccc(Br)s3)nc3ccccn23)NC1=O 765593185 LXSXZQCVBVNABK-UHFFFAOYSA-N 417.248 1.761 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 767706823 ULSJQHLOSZRJJD-OAHLLOKOSA-N 412.483 1.804 30 10 HDEE CCOCCCNC(=O)[C@@H](C#N)C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 777300740 POTCSEZUEHBZLE-KRWDZBQOSA-N 404.486 1.833 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 781660141 HHXGYIYVXUSCKD-UHFFFAOYSA-N 402.479 1.453 30 10 HDEE COc1cc(C)c(C=c2sc(=C(C#N)C#N)n(CCc3cccnc3)c2=O)c(C)n1 781663903 NABJHYLIJHVJSW-UHFFFAOYSA-N 417.494 1.595 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccc(F)cc1 782884386 NPMFUOYUCWDSIX-LLVKDONJSA-N 420.388 1.572 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N3CCCC3)CCOCC2)n1 788973466 DRVYCLSIYRDMQV-UHFFFAOYSA-N 403.527 1.319 30 10 HDEE CCOC(=O)CC1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 790355359 JNYWDKIQADBJAA-AWEZNQCLSA-N 421.519 1.886 30 10 HDEE C[C@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccc(N2CCCC2=O)cc1 803594240 IZKNVCUBQIYSBQ-HNNXBMFYSA-N 420.473 1.486 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c(C)c1OC 806610247 MRGIWLAFHTWGKU-MRXNPFEDSA-N 411.483 1.441 30 10 HDEE C#C[C@@H](NC(=O)CN(C)S(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(F)cc1 812754132 JOZNSEQDUJMOTN-LJQANCHMSA-N 417.462 1.895 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)NCCNc3ccc(C#N)cn3)cn2)C[C@H](C)O1 916390728 WIVANUGGYPSZLE-HOTGVXAUSA-N 409.494 1.873 30 10 HDEE C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1127366873 JJUHECZURSOTOX-DZGCQCFKSA-N 402.451 1.994 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)Cn1c(=O)ccn(Cc3ccccc3)c1=O)C2 1132852847 FXZPDKNTSBBDFM-FQEVSTJZSA-N 400.438 1.214 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4nc[nH]n4)CC3)CCCC2)cc1 1138143310 HQYNMPKJIXFVAT-UHFFFAOYSA-N 414.491 1.021 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1S(=O)(=O)NCC#N 1141488466 WPZUQQYEBKEXBH-KRWDZBQOSA-N 405.451 1.269 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1143100927 BJZLHDTUEYHIJI-UHFFFAOYSA-N 419.416 1.708 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H](O)COCC2CC2)C1 1150176953 SWRJKWCWOJEHIC-INIZCTEOSA-N 408.296 1.661 30 10 HDEE N#Cc1cccc([C@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(F)(F)F)c1 1152829364 BQEQYAMNYODDRS-WMZOPIPTSA-N 424.423 1.459 30 10 HDEE C#CCN(C(=O)c1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C1CCN(C)CC1 1156646924 MIUHFLCWBPILEC-UHFFFAOYSA-N 402.499 1.240 30 10 HDEE C=CCOc1cccnc1C(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1158427932 WHMKNWXBHXFECW-CQSZACIVSA-N 416.478 1.596 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1161707301 YWYUYSQJNBHLKK-QUSNUVHPSA-N 408.495 1.718 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cccc(C)c3)cn2)CC1 1175515322 XFQXTISPPPNMTC-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OC 1177958667 LGDYVPKGRHEWSN-KGLIPLIRSA-N 400.522 1.915 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CC[C@H](C(N)=O)CC3)ccc2c1=O 1183720642 LWOCCECYISYZQN-JOCQHMNTSA-N 400.504 1.893 30 10 HDEE C[C@@H](CCc1ccc(I)cc1)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1186325488 KGUXQDKBAGTJQT-JTQLQIEISA-N 424.242 1.983 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)[C@@H]1CCCO1 1189428504 ARYWIOYXWYUKOG-CADBVGFASA-N 422.503 1.123 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@](C)(CO)c2cccc([N+](=O)[O-])c2)c1 1193575078 WCFNPZSLAUSNKB-LJQANCHMSA-N 419.459 1.697 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)N1CCS(=O)(=NS(C)(=O)=O)CC1 1194633583 WPEBUNHOWMXONM-AWEZNQCLSA-N 419.594 1.394 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)C1 1196787123 CABLWZZIANLORP-INIZCTEOSA-N 421.519 1.983 30 10 HDEE C=CCC[C@@H]1CCCN1S(=O)(=O)c1ccc(OC)c([C@@]2(C)NC(=O)NC2=O)c1 1213936753 BWJNFKBFWBIMLP-BFUOFWGJSA-N 407.492 1.869 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1230168662 XDRVBDBAWDPHOZ-WBVHZDCISA-N 406.527 1.851 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)N(C)C)c1 1286309500 LGSLVYOWZLQQBR-CRAIPNDOSA-N 423.521 1.236 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1286386872 IVJWBMLLCLJHFT-AWEZNQCLSA-N 416.532 1.415 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCN(CC)CC1 1286425731 VQJXPPMJOBPZQC-FQEVSTJZSA-N 407.566 1.773 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1286425784 XLPAFPPMNSVVKT-SFHVURJKSA-N 408.506 1.241 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1cccc(C(=O)NC)c1 1286466212 FCNQCFLTXSPOAO-LJQANCHMSA-N 411.506 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@](C)(O)c2ccco2)CC1 1286472322 RYEINYVWFZIPHQ-LAUBAEHRSA-N 417.510 1.258 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286628744 KAJLEHMJNALKGR-HNNXBMFYSA-N 424.933 1.445 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)c1occc1C 1286727766 ZESQYYABAZXORP-OAHLLOKOSA-N 421.523 1.524 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C 1286750383 ZOWGJZYPKZORPK-UHFFFAOYSA-N 402.524 1.743 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286790581 URQGIFRVIQWJDS-BBRMVZONSA-N 420.539 1.176 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286818435 IMVMTHURHXKGCZ-WMLDXEAASA-N 420.539 1.283 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCO[C@H]2C)c1 1290076646 CKRSCTKINKLKMT-YRISNDGFSA-N 413.478 1.434 30 10 HDEE CNC(=O)CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N(C)C)CC1 1299161872 BAXBGKDIKXEUME-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE CO[C@@]1(Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCOC1 1299796971 CBQGCAVIEQDJBI-HXUWFJFHSA-N 400.458 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCOCCCO 1300310456 XSLFYBRQIMIBKM-KRWDZBQOSA-N 413.526 1.309 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1300370989 KQIQLMBNFZCADB-KRWDZBQOSA-N 421.567 1.608 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNC(=O)c1cc[nH]n1 1300439465 DIBOQLCGJILCQR-UHFFFAOYSA-N 417.271 1.258 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1nncn1-c1ccccc1 1300471622 JBOKXNMXNGTEGK-UHFFFAOYSA-N 401.478 1.838 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCS(=O)(=O)C1 1300511211 GSJPOKLRKNUCFX-QGZVFWFLSA-N 412.515 1.851 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCOC(C)(C)C2)CC1 1300700685 ULTWCUOQASCHEW-IBGZPJMESA-N 416.570 1.038 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](N2CCCC2=O)C1 1301196758 JHUKMZIFVDHDFA-CVEARBPZSA-N 424.571 1.446 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1301424615 NBRQIIQZYCSUGQ-FQEVSTJZSA-N 424.549 1.926 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1301497749 CJYRBGLGUBCJFH-UHFFFAOYSA-N 415.567 1.935 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1301497974 HQDFQYKAEVMKBE-ZDUSSCGKSA-N 400.449 1.921 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301508726 RVCYQCUCRYUSBD-MRXNPFEDSA-N 409.556 1.326 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1301560928 PBKPKUDJVYEMNB-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1303011637 NZVQGGQJBMKHFJ-GOSISDBHSA-N 415.542 1.472 30 10 HDEE N#CC1(C(=O)N2CCn3ncc(I)c3C2)CCSCC1 1303996630 OHVIXUNKIIZQJF-UHFFFAOYSA-N 402.261 1.867 30 10 HDEE O=C(CCN1C(=O)c2ccccc2C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892317 CWZKKCRNKLPQNN-UHFFFAOYSA-N 421.409 1.577 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C[C@H]2CCCO2)C(=O)OCC)c1 1309845441 RETVUECNUZQZBE-WBVHZDCISA-N 410.492 1.382 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C1 1314502812 BFYDCNAOQDMOCL-IBGZPJMESA-N 422.493 1.740 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)C1 1316528764 ZIRRDVXQABOBKH-ZUZCIYMTSA-N 422.358 1.588 30 10 HDEE CC(C)n1ncc(C(=O)NC2CCN(CC#N)CC2)c1I 1352962425 ZBTMMYYCWKDEFG-UHFFFAOYSA-N 401.252 1.786 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 1354812829 NFQHQJSZEKEPKD-FPOVZHCZSA-N 401.507 1.945 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCNS(=O)(=O)c1ccccc1 1357122490 HKALYSHCUAWWQJ-UHFFFAOYSA-N 422.304 1.958 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1358918532 YIOMSDAIODTXKF-IAGOWNOFSA-N 409.556 1.699 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(C)CN(C2CC2)C1=O 1358983848 YFJDNUFFJBSMIJ-ZJBJCVSYSA-N 411.506 1.086 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1359005896 ZNHLOSIHXBNUGR-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1359049435 PLKCALVLSNUHDJ-KXBFYZLASA-N 407.540 1.085 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1359142347 FYQQFPYTZNFDGL-MCIONIFRSA-N 404.968 1.560 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1359238307 GNDTVKKWEPLTOB-HNNXBMFYSA-N 412.494 1.959 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1359301861 NOWNTCHZTIMOPL-HZPDHXFCSA-N 415.425 1.424 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)CN2CCOCC2)C1 1359320233 NTHXTCPJJDEEAO-XUVXKRRUSA-N 419.570 1.922 30 10 HDEE C=CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359339004 PIPSPSIUCHYTNE-UHFFFAOYSA-N 418.567 1.976 30 10 HDEE C#CC[C@]1(C(=O)Nc2ncn(CC(=O)N(C)C)n2)CCCN1C(=O)OC(C)(C)C 1435145126 NLXPCFRPYPSMBV-LJQANCHMSA-N 404.471 1.098 30 10 HDEE CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)N[C@H]1CCN(O)C1=O 1450155040 HOWXNGOCDALINQ-ZDUSSCGKSA-N 403.439 1.167 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 1452428083 AZJROSBBCALPRI-QGTPRVQTSA-N 421.519 1.051 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C(=O)OCC 1454711269 TVKOLOYJLPRQAG-CQSZACIVSA-N 407.854 1.942 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCC[C@H]12 1455493010 PYEVXKACPIXASA-HCZVTKCGSA-N 418.494 1.951 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CCO1 1463086202 CXQDCGPRQCTDCK-SFHVURJKSA-N 420.263 1.966 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)C[C@@H](O)CN2C)cc1 1464341758 OBKUTANEHGXWDA-QSGOBLRKSA-N 422.551 1.673 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1467824454 ZBVWHRQFOBGONT-KGLIPLIRSA-N 407.433 1.672 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@@H]2Cc2cnn(C)c2)c1 1470213388 DFXAFIPTILVRAU-APWZRJJASA-N 400.504 1.473 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1470618770 XVBVNRYOJUGBCD-UHFFFAOYSA-N 414.487 1.419 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1)[C@@H]1CCS(=O)(=O)C1 1471110094 KJONBJXWHBPENT-WOJBJXKFSA-N 419.547 1.028 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1 1471338390 YIHWDEIWJIGGCN-FCHUYYIVSA-N 424.593 1.723 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)cc1 1471803794 HGDHBIWCWJRZDH-HNAYVOBHSA-N 410.467 1.352 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCNC2=O 1471859973 VBJAJFHKHGSMOC-NSHDSACASA-N 412.878 1.016 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCC(=O)Nc1ccc(I)cc1 1478625922 LBVPKXXHFHSEOA-ZDUSSCGKSA-N 413.215 1.273 30 10 HDEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478710985 JGALIJADHRTEAU-SUNYJGFJSA-N 414.528 1.260 30 10 HDEE CC1(N2CCCC2)CCC(NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1479356311 WUWYFQLRDDIJLO-UHFFFAOYSA-N 400.483 1.184 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1503464694 VHUDQHAMEACEKX-GOSISDBHSA-N 410.478 1.496 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507582159 CUXDCTKWEYERIS-UHFFFAOYSA-N 404.478 1.649 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507596931 RKWLASVQTPJCHF-FYQPLNBISA-N 417.554 1.572 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCC1 1507672402 ZXUDQIAAJBYJCN-SFHVURJKSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1507722229 RQVKIWSFEHTWBW-UHFFFAOYSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](CC)OC)CC1 1507724271 MGUABARFQVWKFV-IBGZPJMESA-N 407.522 1.697 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1507747651 JOIHHCFTQDTOFN-KRWDZBQOSA-N 400.552 1.955 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CCn1cccn1 1507808994 RZQHQMJEEREAEQ-FXAWDEMLSA-N 413.526 1.715 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1507954411 NBFBYGUXIJPSEJ-KRWDZBQOSA-N 419.555 1.655 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1507965924 XGXQGWWIFIILQG-GOSISDBHSA-N 404.559 1.566 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCOCC2)C1 1510282844 BGRYMRAAVXLEFN-OAQYLSRUSA-N 415.542 1.366 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)SC)C[C@H]1O 1517689704 NWRCRAFDGTUZQW-IAOVAPTHSA-N 415.519 1.928 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2ccc(C(=O)OC)cc2)c1 1528412671 SJUNBRARBCFDLA-UHFFFAOYSA-N 420.465 1.889 30 10 HDEE C[C@@H](C(=O)Nc1nn(C)cc1C#N)N1C(=O)c2ccc(Br)cc2C1=O 1531730395 CPSGMAAICIZTFR-QMMMGPOBSA-N 402.208 1.677 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)C1=O 1534859763 LMYNUEZIFPASBH-TUKIKUTGSA-N 418.247 1.180 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)NCc2nnc3n2CCNC3=O)c1 1537046429 CKFFVCGIZJQTLW-UHFFFAOYSA-N 402.414 1.402 30 10 HDEE C=CCOc1cccnc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1537447236 GZUCBKNGFJUNJI-SHYRYGCCSA-N 408.476 1.275 30 10 HDEE COc1cccc2c1CCC[C@H](NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1537740401 YGMKVLOKIWVSQQ-HNNXBMFYSA-N 413.499 1.798 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1539031769 PCLKZRUVXKHXLP-GJZGRUSLSA-N 406.483 1.889 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1539224301 FCPATBIQXFTWBT-GOSISDBHSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1539259332 CMQUBVJIJQJHSB-MOPGFXCFSA-N 408.481 1.744 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539445829 HWAQLOIMWQRQDS-FQEVSTJZSA-N 421.549 1.662 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCSCC1 1539541612 KEJQZTINTXTCHV-NHCUHLMSSA-N 419.595 1.971 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@H]2CO)CC1 1539887821 IRIWIYLHNRYSID-OALUTQOASA-N 416.570 1.869 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540036886 WHHCQRREAXKAAI-GHTZIAJQSA-N 405.543 1.676 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1540047567 KFDVTDLEGBKKCR-CQSZACIVSA-N 403.512 1.401 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1540200622 FOOWTCCXEZXETH-KBPBESRZSA-N 420.482 1.243 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)C[C@H](C)C(=O)NC 1540866216 HFSDPMSQZVSCON-LBPRGKRZSA-N 422.892 1.858 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540870231 HVCGCMCVRYHDPZ-JKSUJKDBSA-N 404.515 1.317 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1540917092 NMQDVXXLPOYEAJ-OAHLLOKOSA-N 415.585 1.519 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1541803393 HMGTUTCUHKHUNJ-CABCVRRESA-N 420.514 1.850 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1541803806 MVOFEJDCNDROOQ-OAGGEKHMSA-N 410.544 1.192 30 10 HDEE Cc1cc(CN(C)c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1542195684 IVZHDKPZRXAELT-HNENSFHCSA-N 413.482 1.936 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nccc(C(F)F)n1 1543316122 XYCUTJUQTDVJPQ-UHFFFAOYSA-N 411.420 1.956 30 10 HDEE N#C[C@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1cccc(Br)c1 1545824240 PRPIYVMYWTZEIG-ZDUSSCGKSA-N 401.224 1.416 30 10 HDEE CCN(CC)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1547489613 HTLBZCQTBHOHPP-UHFFFAOYSA-N 416.551 1.783 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@@H](C)C2)CCOC1 1547917564 APCHKUMCQHDXHI-MIALQEHNSA-N 405.499 1.474 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)c1 1556415105 KNTXCPLNBFNDGS-SFHVURJKSA-N 414.531 1.924 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OCC 1556642575 PSMLVJCVXUKKCS-KSFYIVLOSA-N 413.474 2.000 30 10 HDEE Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2C)c1 1556750252 DUMJQOCQJNFVCH-INIZCTEOSA-N 403.460 1.824 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2cccc3ccc(OC)cc23)CC1 1558072871 GYRKZLRTNQIHCE-UHFFFAOYSA-N 401.488 1.003 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1558973736 FGPJRPOQWWDVJK-LNLFQRSKSA-N 403.479 1.644 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)[C@@H](C#N)C1 1561338856 HKBWMKLTASYLIH-LSDHHAIUSA-N 423.491 1.601 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1561575177 UMQVURPCKIBFMX-SJORKVTESA-N 414.549 1.791 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCc3c(O)nn(C)c3C2)cc1 1562197173 FPMUVUFMSGYMHP-UHFFFAOYSA-N 405.480 1.522 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)cc1 1562235944 XUOSVMJSEHPKIL-UHFFFAOYSA-N 416.503 1.875 30 10 HDEE CS(=O)(=O)CCc1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1562523894 BOIFWCCYLXZYPP-UHFFFAOYSA-N 413.503 1.894 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)nn1 1564765436 JPXBXHVUJKYOLZ-CYBMUJFWSA-N 400.430 1.908 30 10 HDEE COc1cc(NC(=O)C(C)(C)C)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1566317737 HMPFZWKVEHJGCG-UHFFFAOYSA-N 416.478 1.886 30 10 HDEE Cn1nc(C(=O)N2CCN(c3cnccc3C#N)CC2)cc1NC(=O)OC(C)(C)C 1569815980 RGSWLIYGRWOPNP-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C[C@@H](CC(=O)NCC(C)(C)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 1570375314 CPLVJIVQJDONDX-AWEZNQCLSA-N 400.504 1.993 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Cn2cnc(C#N)n2)C1 1583209335 ICUFIHKSAOZAEK-BZUAXINKSA-N 418.498 1.603 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)[C@](C)(O)c2ccccc2)cc1S(=O)(=O)NCC#N 1583462236 DYRZVEDREBIZRV-YWZLYKJASA-N 401.488 1.823 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 1585148599 DHUXCAHTQSITEC-HNNXBMFYSA-N 415.309 1.272 30 10 HDEE C[C@H](CC(=O)N1CCO[C@@](C)(C(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1585273752 OCCHUXPTIDNBPL-PIGZYNQJSA-N 401.435 1.386 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1585550371 BRRPZEMAUQHQFH-HOTGVXAUSA-N 410.492 1.037 30 10 HDEE CN(C)C1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)Cc2ccccc2C1 1586790360 BGOILFZMANFVLJ-UHFFFAOYSA-N 415.490 1.952 30 10 HDEE CC(=O)N1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1587594538 YCWBYWZDNYLMRV-UHFFFAOYSA-N 405.296 1.838 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1587798360 ICIVPUHLMVBNOI-QGZVFWFLSA-N 400.527 1.621 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1-c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1588035367 SPHMLPVWGIXKTD-LJQANCHMSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1588089282 HQMSGXFHORGFNE-JOCHJYFZSA-N 409.490 1.058 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C1CC1 1588228671 JPIPYSUPXOIFRB-SJORKVTESA-N 403.552 1.126 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588254196 RTXKAUFLDNMDDG-IBGZPJMESA-N 422.533 1.946 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588849117 ZNPMGLXECRIABD-VGOFRKELSA-N 413.497 1.303 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1589048166 WPQZITXWFCSEGY-FQEVSTJZSA-N 415.567 1.346 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1589216532 QTHRKIDTHOJIFC-FOIQADDNSA-N 419.551 1.231 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(=O)NC1CCCCC1 1589233922 MJQNGLAVGNUJDZ-JOCHJYFZSA-N 412.538 1.842 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(OCC(N)=O)CC1 1589516308 ZILGLKFBUCZHRS-BEFAXECRSA-N 414.510 1.725 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(C)nn(C)c1C 1593741085 JAIXARZJWMYXMY-KRWDZBQOSA-N 401.515 1.809 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1595116448 RQOGIPGDVGSWGE-TVTNDZMWSA-N 411.506 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1595506721 KMRJVLUSTDSEHG-GOSISDBHSA-N 410.522 1.930 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N[C@H](C)CC)C1 1595715123 SIDDKWBWPIWYRJ-WBVHZDCISA-N 401.515 1.765 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1596330999 CJBLPEJTVNWPGJ-GOSISDBHSA-N 407.478 1.976 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C3(C)OCCO3)C2)s1 1597232933 VAEDNWCDIVASPG-AWEZNQCLSA-N 414.549 1.757 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1611304165 WQSIPTFFIHUACG-ZDUSSCGKSA-N 415.454 1.586 30 10 HDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1612329441 RHDSIVNXSOCOAY-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@@H]1CCOC1 1614069956 JCQHTQFONYNNRY-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE CCCN1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)CC1 1614820978 HJWOBBJACYRDAP-UHFFFAOYSA-N 407.522 1.875 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](CC#N)C(F)(F)F 1616998129 MFSXNURKLAJPKM-AWEZNQCLSA-N 405.398 1.590 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1617204120 NHMROULEZOIAQE-SFHVURJKSA-N 424.505 1.966 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C)C(=O)OC 1617951161 SUHFUKZRCNLKRN-YWZLYKJASA-N 414.499 1.653 30 10 HDEE Cc1[nH]nc(C(=O)NCc2ccc(C(=O)NO)cc2)c1I 1618008037 RZTHBQSDJQHNQB-UHFFFAOYSA-N 400.176 1.372 30 10 HDEE CN1CCN(CCn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1618488031 HDWSKSBZIHOQDB-LJQANCHMSA-N 415.586 1.766 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635206 FVBVARWOZOZZAE-BFQNTYOBSA-N 412.309 1.646 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(F)cc2Br)CC1 1622372166 FNSAEAOQCBNCEQ-UHFFFAOYSA-N 420.256 1.524 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 1623848382 VMYWRELZCSTEAB-YOEHRIQHSA-N 400.479 1.680 30 10 HDEE C[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1625185223 LCNRNGXVWJLITH-GJZGRUSLSA-N 401.529 1.857 30 10 HDEE Cc1ccc(CN2CC[C@@H](CN(C)C(=O)CCn3cc(C#N)c(O)nc3=O)C2)s1 1627084095 HXFABNNQZDWEGV-HNNXBMFYSA-N 415.519 1.561 30 10 HDEE CCOP(=O)(CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)OCC 1627538181 ZAMQJPLJHJMHRK-UHFFFAOYSA-N 403.397 1.407 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)NC1(c2ccc(C#N)cc2)CCC1 1631228468 XLBGAHABXQUVRS-FQEVSTJZSA-N 410.474 1.669 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 1632707773 KTLRMYHFKVLCEE-IBGZPJMESA-N 406.571 1.779 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3CCC[C@]3(C(=O)OC)C2)s1 1633375061 AWJRCWMPAMSXGX-UGSOOPFHSA-N 412.533 1.557 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(c2nc(=N)n(C)[nH]2)CC1 1635050377 AQRXDJVIKPISAX-ZDUSSCGKSA-N 412.922 1.970 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1636109371 XOBKNUFEYZMFBK-UHFFFAOYSA-N 414.430 1.619 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)NCC#CCN(C)C)CC3)cc2NC1=O 1639131103 XWDHGLBRMUEGIA-HNNXBMFYSA-N 412.490 1.575 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1639134019 KSPDARSHAXGOKW-IRXDYDNUSA-N 403.527 1.442 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1639821354 DWPOFHQWIMRBFZ-OGHNNQOOSA-N 417.915 1.419 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1640569191 WDRNNCLZCNIFCT-UHFFFAOYSA-N 422.279 1.947 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)C(C)(C)c3cc(F)cc(C#N)c3)CC2)CCOC1 1640827550 ITKJGQIRCIDRNI-OAQYLSRUSA-N 403.454 1.451 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1640863714 LQMQUJOZUALZNH-KBPBESRZSA-N 400.522 1.915 30 10 HDEE CN(C)CCn1c(O)nc2ccc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc21 1640916666 UBLZDJIDIGNJAK-FQEVSTJZSA-N 407.474 1.981 30 10 HDEE COC[C@@]1(CO)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1643116670 AFCVQAQNIGLSFG-NRFANRHFSA-N 400.479 1.887 30 10 HDEE C[C@H](C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N(C)Cc1cc(C#N)cs1 1648456256 PLUCWQVFGHNQES-CYBMUJFWSA-N 406.533 1.446 30 10 HDEE CC(C)(CN1CCOCC1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1664436498 HCFMEFUZNSKVMS-UHFFFAOYSA-N 402.314 1.710 30 10 HDEE C#CCCN1CCN(S(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)CC1 1666721219 BKXCNMGXOASYLC-VWLOTQADSA-N 409.455 1.919 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)nn1 1667579024 UGUAMGKHWLOEOA-GFCCVEGCSA-N 418.429 1.606 30 10 HDEE C#CC1(O)CN(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C(=O)OCC)C3)C1 1670160544 YLRIOHIMLDSBBT-UHFFFAOYSA-N 421.475 1.651 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)CC1 1675417589 DSHKZXINBNDLMA-UHFFFAOYSA-N 420.897 1.540 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1675890685 IGIMXGFYZQGGLA-QGZVFWFLSA-N 405.520 1.403 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1 1684082930 LOQGWCSQEKEKPA-GOSISDBHSA-N 404.536 1.321 30 10 HDEE CO[C@@H]1CCOC[C@H]1NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1684353502 BAARDHFJPCQHOD-QZTJIDSGSA-N 416.457 1.501 30 10 HDEE N#CCC[C@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccccc1 1685801141 XJBXMJGKMSEBBN-IBGZPJMESA-N 407.474 1.763 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992643 NOYVVDAPIXSWRV-IAGOWNOFSA-N 421.592 1.832 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@@H]1OC 1690034954 XGQWDQAKTKJFMT-IPJJNNNSSA-N 416.522 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC1(OCCOC)CCOCC1 1690056315 NHNZVOUPWCRZCP-LJQANCHMSA-N 416.522 1.805 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OC(C)C)nc2)CC1 1690120160 JIDMHDVBDVZVKX-UHFFFAOYSA-N 420.521 1.664 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(OC)nc2)CC1 1690128539 FLDOWIPBKJIQFQ-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2cncn2)C1 1690153846 DFYNXFNTJRZLMQ-MRXNPFEDSA-N 414.539 1.314 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690248276 MDEGCUMTXNZBNF-AOIWGVFYSA-N 403.527 1.649 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1690328962 ROXNLRCPGVAVAI-JQFCIGGWSA-N 415.947 1.648 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2ccccc2C1 1690659029 HTRFAUQCSZHWSO-UHFFFAOYSA-N 417.473 1.790 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)C1 1690697599 YNQNLJHJZAQSQY-TZMCWYRMSA-N 419.436 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCCO1 1690714688 RQFQYMMNSVPNNQ-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1690739940 DJELQWNCYJJSKE-UHFFFAOYSA-N 401.540 1.704 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)c1 1693230552 LCYYOAMBROBOHO-RBUKOAKNSA-N 413.478 1.700 30 10 HDEE CCn1cc(CN(C)c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1695779285 LWAGNTSPKJRTIX-VXPUYCOJSA-N 424.509 1.610 30 10 HDEE CC[S@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1696518747 ZDWBJVGQZLTTCW-NDEPHWFRSA-N 404.496 1.514 30 10 HDEE CON(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1698271153 HLJFATUORUURLH-ISLYRVAYSA-N 416.413 1.520 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1705559419 AMOVXWDHSYHBLF-AEFFLSMTSA-N 405.568 1.513 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705563185 SEDCUWYRMWZJTD-KRWDZBQOSA-N 417.535 1.569 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1705667738 RIIWDKOBHPNCGG-HZPDHXFCSA-N 412.581 1.900 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCNC(=O)[C@@H]2CC)cc1 1705911624 MOKHDHXACOFNRX-MSOLQXFVSA-N 424.505 1.557 30 10 HDEE CCC(CC)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1708691172 BHYHPXPOLMPXPC-QZTJIDSGSA-N 400.531 1.774 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1709404495 UMSAEDFNRZIUDD-REMYHPOOSA-N 407.478 1.909 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)OC)C1 1710345961 HHYAKZHWBIEWCN-YOEHRIQHSA-N 418.523 1.370 30 10 HDEE COCCN1C[C@@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1=O 1712471348 DMHIGAPUIJZUHH-ZWKOTPCHSA-N 416.526 1.234 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)COC1 1712560997 FVUPWJNRAZBQIL-NVXWUHKLSA-N 404.515 1.215 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722320374 XSJMFYXQTNDAAS-MRXNPFEDSA-N 414.510 1.844 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1722362002 QQXDRIHPVOJIRE-TWOQFEAHSA-N 417.535 1.451 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722369012 XUADXGRYJMRCOG-QGZVFWFLSA-N 402.520 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1722399078 OUMLVGYUMNKREC-UHFFFAOYSA-N 411.531 1.675 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCCSC)CC1 1722429309 JYVIFNIIXCIKDI-UHFFFAOYSA-N 404.584 1.803 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(Cn3cccn3)c2)CC1 1722442057 RXGAVCKZDDFVGC-UHFFFAOYSA-N 419.533 1.863 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1722510058 RLSPBGNDLPDARW-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722603996 RQCCCESTPRFHJK-WMZOPIPTSA-N 418.567 1.713 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1722738316 GCOLWLRQIYPLEF-CQSZACIVSA-N 415.585 1.060 30 10 HDEE CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1727353987 AFKBTTQNQYMTJA-HZPDHXFCSA-N 423.539 1.116 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccc(C#N)o1 1727603873 WFCOXSGDFFVZSB-UHFFFAOYSA-N 405.466 1.594 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1728256905 DNDYOTVYUHGWOZ-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729833016 GUPIKDCNGOEOGR-HUUCEWRRSA-N 407.482 1.685 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCCC1 1730874221 HZYQNSJGQFUWAU-KSZLIROESA-N 406.531 1.463 30 10 HDEE CSC1(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1731061611 DGCWMWWYLJWJHX-OAHLLOKOSA-N 403.512 1.320 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2CCC(=O)N2CCCCCC2)CCO1 1731188328 DSYDCBWLTNBBHW-INIZCTEOSA-N 410.482 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1CCN(C(=O)OC)CC1 1740535038 MZSQPPASIRLVMG-CVEARBPZSA-N 407.515 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1snnc1C 1740547261 RERYABIFHPOKRI-LBPRGKRZSA-N 420.502 1.858 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1740628662 SFMLIRKXNPYEDG-JKSUJKDBSA-N 412.581 1.585 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=C)C)CC1 1740703245 KWHBSASUXXRNKH-JOCHJYFZSA-N 415.538 1.861 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1740959496 XQZFHDAFFRCUNR-AWEZNQCLSA-N 414.514 1.286 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCN2CCCC[C@H]2C1 1740962663 KTSTWGPNXJBBRY-IBGZPJMESA-N 424.549 1.876 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1741687669 PRTRWDPFMQLBFQ-QZTJIDSGSA-N 421.505 1.446 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1743893578 BDUPGVJECKHEQC-ZBFHGGJFSA-N 401.515 1.664 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CC(C)(C)O)c1 1748689963 LFCHDEXHWLJEKG-UHFFFAOYSA-N 424.505 1.341 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748721416 IIQYXSGDRAKGJK-UHFFFAOYSA-N 421.505 1.588 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1748906728 XUWAZCQRYTWNIJ-OCCSQVGLSA-N 408.528 1.756 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCSC1 1748961284 ZZKWJRSSSVJIKQ-CQSZACIVSA-N 403.508 1.845 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCC(=O)N(C)C)CC1 1748989983 SKCLGQQESGZWFO-LJQANCHMSA-N 424.505 1.024 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1749115794 WCKFKPWREJWDBS-IXDOHACOSA-N 416.526 1.197 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2ccnc21 1749590022 MKXZYQOVAKWCSZ-KRWDZBQOSA-N 413.526 1.927 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1749597610 IOBKIHYQJUOJNY-QGZVFWFLSA-N 423.525 1.776 30 10 HDEE C=CCN(CCOC)c1nnc(C2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1749598455 YPTNXAYNNCCBMF-QZTJIDSGSA-N 423.583 1.999 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)N1CCCC1 1757727101 CJKQOFLFMYLIJT-QSUVVDIXSA-N 404.511 1.021 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1760138059 QLTKUSJFTLJNPV-KZNAEPCWSA-N 406.552 1.847 30 10 HDEE C#CCCCCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760143369 DKQBIMYVYONYNV-DYESRHJHSA-N 419.526 1.073 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCN(C)C 1760178856 CPFYFKGGMFMQKH-CALCHBBNSA-N 420.558 1.696 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1760183765 DJARETPLCDIOGC-ROUUACIJSA-N 418.519 1.233 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1760197155 XGIQBWJMLFTYMU-KNQAVFIVSA-N 415.538 1.112 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](CC)C1 1760277172 CNDZVOJYGHAKGQ-GOSISDBHSA-N 424.534 1.902 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760378957 CZZSQDMBXBUBRL-DNVCBOLYSA-N 409.918 1.927 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760401397 IIIHYGFDTTUVAM-QFBILLFUSA-N 410.540 1.124 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1760468991 PWDHAFDVPYHDMO-QEEYODRMSA-N 407.515 1.822 30 10 HDEE C=CCN(c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC)C1CC1 1760476747 FRFQGIWRSUKDEY-UHFFFAOYSA-N 411.478 1.851 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1760503221 CRYSCYXZSWCYFN-KRWDZBQOSA-N 407.515 1.060 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1760692784 DMRFZBPRRIQEAM-WZYUCLQXSA-N 414.535 1.752 30 10 HDEE CC(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761112322 OKWUTCQFSBKATK-CYBMUJFWSA-N 416.507 1.371 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1771529427 NVDNILANUABULU-YVEFUNNKSA-N 424.889 1.870 30 10 HDEE CC1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1772845588 CAFXVKFNEBRLIC-HXUWFJFHSA-N 415.519 1.745 30 10 HDEE CCc1nc(N2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)c2c(n1)c(C)nn2C 1848503558 FLSKWMZAQMVHFM-UHFFFAOYSA-N 418.505 1.867 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N2CCC(N3CCC(C#N)CC3)CC2)cc1 1848885006 RHKRUNRVEQWOER-UHFFFAOYSA-N 420.535 1.200 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3COc4ccccc4C3)c(C#N)cc2C#N)CC1 1851475941 DRZDNISKBNCYSX-GOSISDBHSA-N 402.458 1.767 30 10 HDEE Cn1c(=O)ccn([C@H]2CCCN(C(=O)C3CCN(c4ccc(C#N)cc4)CC3)C2)c1=O 1851685105 YMJJQZJWWJANAS-FQEVSTJZSA-N 421.501 1.499 30 10 HDEE O=C1C[C@@H](C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)CN1Cc1ccccc1 1853006096 YBCUNMBHSDOATK-CYBMUJFWSA-N 417.409 1.906 30 10 HDEE N#Cc1ncc(C(=O)N(CCN2CCCC2)Cc2cn(Cc3ccccc3)nn2)cn1 1853451302 ZBGGQRINVQHCCC-UHFFFAOYSA-N 416.489 1.726 30 10 HDEE Cc1c(Cl)cccc1S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C1 1853831409 VYZFEZINFDGKQE-UHFFFAOYSA-N 418.862 1.588 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@@H]3CSc4ncc(C)c(=O)n43)C2)CC1 1853846787 MMAZFIBTGRYYFZ-DLBZAZTESA-N 416.547 1.862 30 10 HDEE Cc1ccccc1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854038798 VCXTVRRZGPCKSW-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cccn3ccnc23)C1=O 1854140550 QNTVLPZEHBIPNM-ROUUACIJSA-N 409.490 1.574 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1854195131 DPTLPDHMOXXHQD-VQIMIIECSA-N 419.472 1.991 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1855539833 YPVDGNNPQYQPEG-QGZVFWFLSA-N 407.474 1.521 30 10 HDEE CON(C)C(=O)C1CCN([C@@H]2CCCCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855773115 BOHWFFNFVFVEGL-GOSISDBHSA-N 413.478 1.206 30 10 HDEE N#CCCN1CC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c2ccccc21 1856132391 IDTVUUAZUVNJHQ-HNNXBMFYSA-N 416.503 1.484 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC([C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856305057 VIDWNKJXVKNBAL-VQTJNVASSA-N 408.502 1.880 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)C2CC3(CCOCC3)C2)CO1 1856508827 NEGNRHMXHJXOHM-MRXNPFEDSA-N 406.460 1.613 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1=O 1856820162 VIYZDLJIGHMGDO-MRXNPFEDSA-N 409.483 1.226 30 10 HDEE Cc1cnn(C)c1C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857471985 YKPWOZBJUNYQPQ-HNNXBMFYSA-N 408.462 1.137 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)cc1 1858394463 WSZAILCGYBEHSO-UKRRQHHQSA-N 408.380 1.899 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 1860994261 KEKZWMZEFXPLAX-UYAOXDASSA-N 409.486 1.391 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CN1CCc2ccccc2C1 1870354969 HRZKBIRISQKZCU-UHFFFAOYSA-N 411.502 1.470 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCc2ccccn2)sc2c1CCC2 1872707146 DURNFYDUBLAFKO-UHFFFAOYSA-N 424.442 1.834 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1/C=N/n1c(SC)nnc(C)c1=O 1873495154 NFKLNNDQONZYOV-UFWORHAWSA-N 417.447 1.836 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(O)c(O)c1 1874469725 UGHAJWHECUZQLG-YBFXNURJSA-N 407.496 1.721 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C 1885924610 VUDQBUXLCYLGJD-ZIAGYGMSSA-N 401.504 1.848 30 10 HDEE CCS(=O)(=O)CCNC(=O)[C@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1890710337 LFLPCMMASIERGY-ROUUACIJSA-N 423.560 1.503 30 10 HDEE C#CCn1ncc(NOCCCNC(=O)OC(C)(C)C)c(Br)c1=O 1998964440 SNDAEBCYTPACRC-UHFFFAOYSA-N 401.261 1.897 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2010385844 XLHYJGLFKNVGAN-SNVBAGLBSA-N 400.277 1.453 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](F)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010403619 GWFHQWMWJFPOEM-CYBMUJFWSA-N 424.282 1.967 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)CN(C(=O)OC(C)(C)C)C1 2174786420 JQRXDEDHIIXXDC-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CCC[C@H]2C(=O)N[C@H](CS)C(=O)O)CC1 2180244655 RMCCHOJJBNOCAA-KGLIPLIRSA-N 401.529 1.350 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(C(=O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)C1 2181004606 LQVRCWLICMEUHS-KFWWJZLASA-N 402.513 1.237 30 10 HDEE C=C(C)[C@@H]1CC[C@@](C)(O)[C@@H](S(=O)(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O)C1 2195273602 ZOGCMBMXZJSXSO-KHSSZTOVSA-N 405.513 1.875 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838261 FSUWAEAHMHBXPH-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2247910497 MCNCWKMPABLZBK-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE N#Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2258180842 GCAFUQRMOSLBDI-AWEZNQCLSA-N 404.404 1.075 30 10 HDEE C[S@@](=O)CC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2267380138 ZIXMFGSSKAJMQL-XMMPIXPASA-N 405.372 1.046 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)N4)cc2Cl)OC1(C)C 2267709902 KAAYLTNGLBROHA-AOOOYVTPSA-N 404.750 1.436 30 10 HDEE O=C(N[C@H](CS(=O)(=O)NCC#Cc1ccccc1)C(=O)O)OCc1ccccc1 2270517938 ZUCBMZIZIPKTHR-GOSISDBHSA-N 416.455 1.337 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](CO)[C@@H](N)C3)sc2Cl)OC1(C)C 2281969336 LHSVKRRMZZBSHC-PWSUYJOCSA-N 400.737 1.482 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@@](O)(CN)C3)sc2Cl)OC1(C)C 2281979849 GQJQHXRIQIJUKS-QGZVFWFLSA-N 400.737 1.627 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2282012028 QBALAKIZADWZSL-RYUDHWBXSA-N 400.331 1.138 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCN[C@@H]4CC[C@@H]43)cc2Cl)OC1(C)C 2282313651 NZFRQBZLSPGHSN-NEPJUHHUSA-N 418.777 1.826 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)N(C)C1CC1 2282329115 IDOPRRRMIGIANS-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)OC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)O1 2282332310 ZBYQVNJEHFPHRV-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CN1CCC(N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282332384 ZWUWUXLEXPOLJO-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(C)CSCCO2)OC1(C)C 2282334519 CRZJQHYUCQEXME-INIZCTEOSA-N 419.399 1.848 30 10 HDEE CCCNC(=O)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282338340 QRDGAKWCYGTHTN-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CN(C[C@H]1CCCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282347821 CVHXSVCKANDXTD-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282484484 DBAPPXWSDCJURE-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC[C@]1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282511375 LWIRREVOAWAXKT-INIZCTEOSA-N 402.347 1.431 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)c2sncc2B2OC(C)(C)C(C)(C)O2)CC1 2282614744 URQHVOVSLYFKCM-UHFFFAOYSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](CCO)C2)OC1(C)C 2282860010 UIFGAZZHJOPMLT-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CN(C)[C@H]1C[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282863015 LUMUGTCJSFQRLT-BETUJISGSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@H]2C(=O)O)OC1(C)C 2284395333 KFMQBBIYFLKZAE-LBPRGKRZSA-N 401.677 1.487 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284399534 LKDDEOCDKFPVDY-UHFFFAOYSA-N 423.749 1.656 30 10 HDEE CS[C@H](C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284409666 MCEHIQSFSLIDPS-BXKDBHETSA-N 421.371 1.530 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@]3(C)CC(=O)O)s2)OC1(C)C 2284416552 ZMSFQRUNGSAATP-INIZCTEOSA-N 401.315 1.675 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2300217134 LUWJUFBTIAAWFH-CHWSQXEVSA-N 420.319 1.362 30 10 HDEE COc1cc(C=CC(=O)C(=O)NCCN2C(=O)CSC2=O)cc(OC)c1OC 2318788793 RPNULWLDBSGQLV-UHFFFAOYSA-N 408.432 1.106 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1cc(Br)ccc1C#N 2320921394 GLAUHNKUVBUTQS-UHFFFAOYSA-N 414.256 1.507 30 10 HDEE CCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1OCC 2330747629 UKZJSOIASHLSAQ-UHFFFAOYSA-N 420.495 1.171 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1 2342043130 HHJPMSAHAHDBBH-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2342045397 RGIRXDGZJMBALM-NSHGMRRFSA-N 420.531 1.711 30 10 HDEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2362564776 VODLRBWBDLSGKH-NSHDSACASA-N 402.347 1.338 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(OC)CCCN(C(=O)OC(C)(C)C)C1 2365212754 RGXXPLAEWARPJE-DNVCBOLYSA-N 402.557 1.817 30 10 HDEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367797589 VZSFMRKDQOQOEN-ZDUSSCGKSA-N 403.497 1.682 30 10 HDEE C[C@@H](NC(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2369900309 FNXORXCXMFYTAV-VIFPVBQESA-N 422.765 1.891 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@@]1(C(=O)O)CCC[C@H](S(C)(=O)=O)C1 2377334727 LVPVHNYQHZUWJL-KSSFIOAISA-N 404.529 1.858 30 10 HDEE Nn1c(N/N=C/c2cccc3ccccc23)nnc1SCC(=O)Nc1nnc[nH]1 20912572 DOSPSRVWTRBWJL-DNTJNYDQSA-N 408.451 1.440 30 10 HDEE N#C[C@@H]1CCC[C@H]1NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130061145 XNZAIZWAFYSIRS-QPUJVOFHSA-N 420.228 1.960 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2ccc(F)cc2)C1 169681051 QTHOUQQKUFBSPX-WOJBJXKFSA-N 410.486 1.179 30 10 HDEE COc1nc(NN=Cc2ccc(OC(C)=O)c(OC)c2)nc(N2CCOCC2)n1 254856009 XDOYKBXXGFAODA-UHFFFAOYSA-N 402.411 1.097 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1OC 320838337 RNNQLPKDWKCACZ-LBPRGKRZSA-N 422.322 1.269 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 435887006 FBOBXBKXEUMKJD-LBTNJELSSA-N 408.476 1.384 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN[C@@H](c2ccccc2)c2nc[nH]n2)CC1 439457037 POKFIHGRGBUGTN-PXNSSMCTSA-N 421.530 1.954 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccoc2)n1C[C@H]1CCOC1 461557817 IAQXXNHDFUEISX-JKSUJKDBSA-N 420.477 1.951 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)CC1 462456332 NFNQECRATLDBNI-UHFFFAOYSA-N 412.450 1.789 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CSCN1C(=O)c1ccccc1 465492087 LUDDKFLYEJBYIQ-QAPCUYQASA-N 422.514 1.601 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)C2)cn1 466034098 AHEQDYNMPLAKOJ-PMACEKPBSA-N 407.522 1.808 30 10 HDEE N#Cc1ccnc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 473763025 JCUFCEGHTGOWFG-UHFFFAOYSA-N 406.489 1.929 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ccn3ccnc3c2)CC1 475380972 KWEPXJDVVCEABB-UHFFFAOYSA-N 424.486 1.422 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCC1 477471160 ASCHREQGVLJWTB-UHFFFAOYSA-N 411.549 1.725 30 10 HDEE N#Cc1ccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 497850479 KEKOBOSCZGGXRI-UHFFFAOYSA-N 405.501 1.500 30 10 HDEE CN(CCS(=O)(=O)N1CCC(C)(C#N)CC1)S(=O)(=O)c1ccc(F)cc1 503757906 AQBJNDMKCOYLLI-UHFFFAOYSA-N 403.501 1.402 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 508814662 VQAMFDNNWDXYFP-CQSZACIVSA-N 407.544 1.675 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CCN1Cc1ccccc1 512659071 CPJYJHCVTPBGJN-WOJBJXKFSA-N 405.506 1.865 30 10 HDEE C=CCN1CCC(NC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 517304914 RBLAELAFBYNINR-UHFFFAOYSA-N 409.552 1.863 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCCO3)c2=O)c1 522675767 RGWFMFDTTXCLDY-SFHVURJKSA-N 424.522 1.970 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc(O)c3ccccc23)CC1 526045861 NJHUUBGJAPCAJO-UHFFFAOYSA-N 422.466 1.959 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)NCCOc2ccc(C#N)cc2)cc1 540239835 FAXYCCMTMCGRHD-UHFFFAOYSA-N 418.475 1.687 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)cc1 543381273 PSANGSMASQAIJK-NRFANRHFSA-N 418.501 1.976 30 10 HDEE Cc1nccc(N2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(F)F)CC2)n1 545390896 KWMASYSMVFLZFJ-UHFFFAOYSA-N 416.388 1.545 30 10 HDEE COC1CCN(C(C)(C)CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 546881521 FQHQLGGLNUOTHB-UHFFFAOYSA-N 400.527 1.674 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc(-c4cccnc4)n3C[C@@H]3CCOC3)CC2)n1 549686410 AQLXIUMIYMCLLL-KRWDZBQOSA-N 416.489 1.970 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)c1 550046875 OYTGLBSDVMGIPM-VGSWGCGISA-N 406.490 1.960 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 558076465 JDTBLDZNXDLNSL-LJQANCHMSA-N 417.469 1.129 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)C[S@](=O)CC(=O)N(C)CCC#N)c2C(N)=O)C1 586297911 AHAVUQFRPGMMFL-CTUXIKGSSA-N 424.548 1.031 30 10 HDEE C[C@H]1C[C@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 589642163 BDJABDQVAWINEC-KXBFYZLASA-N 410.478 1.644 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C#N 604000752 ALGMKXRPAYMSMA-UHFFFAOYSA-N 415.478 1.195 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ncccc4C#N)CC3)cc21 609673095 ABJJBDBAFNVURF-UHFFFAOYSA-N 411.487 1.373 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1ccccc1Br 732457808 ALJZELSSZAIPQT-NXVVXOECSA-N 407.268 1.817 30 10 HDEE N#C[C@H]1CN(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CCN1C1CC1 732673583 AEEQCTKSVIMFPG-IBGZPJMESA-N 411.506 1.268 30 10 HDEE CCCS(=O)(=O)NC1CCN(Cn2c(C)nnc2-c2cccc(C#N)c2)CC1 739839164 WXIWTISHUANEOS-UHFFFAOYSA-N 402.524 1.877 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NC2CCC(C(N)=O)CC2)cc1 746815601 LNIKLAOKLPDIKY-HAVVHWLPSA-N 421.523 1.665 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](C)OC(=O)c1cc(-c2ccco2)nc2c(C(N)=O)ncn12 746922544 FNGRBDUDRSNMMX-CYBMUJFWSA-N 423.429 1.834 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CC2)cc1 749979994 FQSHIBXJYDOOBV-LJQANCHMSA-N 412.471 1.658 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(S(=O)(=O)N(C)C)oc1C 753406615 BELBVXKHOSUEKT-UHFFFAOYSA-N 411.461 1.137 30 10 HDEE CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N(C[C@H](C)C#N)C3CC3)n12 754175357 POPORCHMAIGHHB-LLVKDONJSA-N 403.516 1.048 30 10 HDEE CC(C)(C)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H]1O 758502504 HNDALFZZWFMODW-CVEARBPZSA-N 407.536 1.761 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1CC(C)C 772896605 CXVZEOOCXOEWNI-UHFFFAOYSA-N 418.522 1.919 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774040687 VKLMMPIRADAHQV-TXPKVOOTSA-N 405.520 1.954 30 10 HDEE C#CCN(C(=O)Nc1cccc(C[S@@](=O)CCOC)c1)[C@@H]1CCS(=O)(=O)C1 774047555 GZSLJLSVBHZLOU-QUGAMOGWSA-N 412.533 1.236 30 10 HDEE C[C@H](NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCCCC1 780178667 ZYIKKMOYIVLDMB-VBKZILBWSA-N 409.483 1.308 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(F)c3C#N)cc2C1=O 781596218 YENOXNVFTWFGKJ-UHFFFAOYSA-N 413.386 1.598 30 10 HDEE COc1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)nc1Br 782574819 SZKATOKSQCJBKQ-UHFFFAOYSA-N 410.249 1.984 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccccc2Cn2cccn2)cc1C#N 785641246 OSAJXGUFPMPUDW-UHFFFAOYSA-N 403.442 1.744 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)[C@H](O)Cc1cnn(C)c1 786859850 HTSSVWZIOIFWQM-WMLDXEAASA-N 400.435 1.211 30 10 HDEE C#CCCCCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC 808541977 XXUBMUGPROSPSZ-UHFFFAOYSA-N 407.536 1.555 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2COCCO2)n1CCOC 812088528 MQYZCQULGIAENS-GOSISDBHSA-N 401.467 1.537 30 10 HDEE C#CCNC(=O)c1ccc(N2CCN(Cc3ccc(OC)c(OC)c3OC)CC2)nc1 916637455 OKJCERULGACTPO-UHFFFAOYSA-N 424.501 1.793 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc3n2CCCCC3)s1 1141334315 HNISWBKFACFRIU-UHFFFAOYSA-N 409.537 1.389 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 1141570674 PIOFAPBSIIAEHD-KKSFZXQISA-N 416.478 1.695 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)[C@H](O)c2ccc(C#N)cc2)C1 1146569765 HGGZDARYHHUWBN-UZLBHIALSA-N 400.435 1.235 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 1151432211 SASIQGCVPLCPOX-BLRBJFNZSA-N 404.426 1.772 30 10 HDEE COC(=O)[C@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC1CC1 1165316704 ZMFYFMOEYBYJRO-AWEZNQCLSA-N 407.492 1.211 30 10 HDEE CCN(CC)C(=O)CN1CCC(NS(=O)(=O)c2ccc(C#N)cc2OC)CC1 1191951750 DIGMOLXPIHPULR-UHFFFAOYSA-N 408.524 1.178 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)NCC#C[C@@H]3CCCCO3)CC2=O)C1 1256125046 OTWGMVVVBQNJPR-WBVHZDCISA-N 420.510 1.078 30 10 HDEE CNC(=O)COc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2)cc1OC 1278717348 CVCBAUGHEPTYQA-UHFFFAOYSA-N 420.429 1.584 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@H](F)COC)CC1 1286477188 QXJAJSZHFBEPNO-IBGZPJMESA-N 423.496 1.871 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(CC)CCOCC2)CC1 1286483322 GTSNWQUMSCVDER-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(OC)CCOC2)CC1 1286490029 GGQPGVLQHCOZEM-OAQYLSRUSA-N 401.511 1.317 30 10 HDEE C=C(Br)Cn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)CC1 1286539110 UZDPJKRQCAMKGH-UHFFFAOYSA-N 423.271 1.241 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286593357 IOGHJNDWEQOEAW-IBGZPJMESA-N 415.586 1.800 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286715991 AMCAQQHISLPCCB-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1286721723 DUXYOCOTWWNXQF-UHFFFAOYSA-N 400.508 1.916 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC(=O)N(CCOC)C1 1286722611 NEFTVDYLJRJSOZ-CQSZACIVSA-N 416.482 1.123 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CCOCC2)C1 1286793272 BOJCKLWCPYLDEH-WMZOPIPTSA-N 419.526 1.311 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC(OCC)C2)C1 1286811911 JYDZGTWXWJEPKZ-ZGGTZUKQSA-N 419.526 1.112 30 10 HDEE C[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1289053376 VOGXCHIADZCDDD-QFBILLFUSA-N 414.422 1.388 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)CCC2=O)cn1 1290342008 ASVVJRUBKSTUJH-ICSRJNTNSA-N 406.490 1.572 30 10 HDEE Cc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1290803265 GURIBQACYMLFET-AMGRQBIBSA-N 409.450 1.166 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](CC(=O)OC)NC(=O)OC(C)(C)C)c1 1291814903 WRYWMYKFRSEPTI-HNNXBMFYSA-N 403.435 1.179 30 10 HDEE N#Cc1cn(CCC(=O)N2C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=O)nc1O 1291911622 IAPWUAUTULVNFL-NXEZZACHSA-N 412.290 1.800 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)CNS(=O)(=O)c3ccccc3N)CC2)c1 1293143378 VSCLEQWGNXBDPH-UHFFFAOYSA-N 414.487 1.489 30 10 HDEE C#CC[C@@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1298689539 IOCAOYGZGMHEHQ-INIZCTEOSA-N 412.303 1.206 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCOC2)C[C@H]1O 1299413021 IXCZUSCDGHGAGB-KBAYOESNSA-N 411.462 1.213 30 10 HDEE N#CC1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCC1 1299492044 DFAZMLHMIASVDC-CQSZACIVSA-N 403.460 1.434 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1CC(=O)OC(C)(C)C)c1cc[nH]n1 1300287416 BATNJSOPWWXQPH-AWEZNQCLSA-N 422.482 1.806 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1300470568 QVNVVZWQRIFANJ-UHFFFAOYSA-N 424.549 1.305 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300491978 KLRQRNBVXGTPRN-IRXDYDNUSA-N 417.535 1.356 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300521358 OWQJILFCPSYBAK-MRXNPFEDSA-N 401.492 1.201 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1300538110 MMXQPDGNMIIQEW-KRWDZBQOSA-N 408.437 1.069 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC[C@H]2CC)CC1 1300682996 USRVUOYUPKRWPC-LJQANCHMSA-N 415.586 1.436 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCn2ccnc2C1 1301390477 INCWSNUUXSSKOJ-DLBZAZTESA-N 416.551 1.818 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1301586450 SYCNLJKACBOQJT-UZLBHIALSA-N 424.567 1.921 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H](C)N1CCOCC1 1302241730 BOJQFHZJAUFLHI-MHORFTMASA-N 406.531 1.319 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1302265462 SGAVJBLSJJVVGZ-CQSZACIVSA-N 414.470 1.379 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1304236011 XKQXCRBGNBOJNU-HOCLYGCPSA-N 407.492 1.069 30 10 HDEE CN(CCCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)C(=O)c1ccncc1 1306892931 ODWRSRQYOJOYMN-UHFFFAOYSA-N 424.457 1.838 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1307646147 DOCYUHKYUFPTOI-IAGOWNOFSA-N 406.527 1.705 30 10 HDEE C=CCN1CC[C@H](N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)C1=O 1308027938 IUWSEXUJBIUQOS-NXOAAHMSSA-N 420.510 1.288 30 10 HDEE C#CCC1(O)CCN([C@H](C)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 1308034445 PVNBYDSXVFQUAV-OAHLLOKOSA-N 423.535 1.123 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1313096897 HEYPJOFUNJPSSY-INIZCTEOSA-N 409.508 1.140 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1316173602 GMTYIDDLGNTPGK-GUXCAODWSA-N 407.515 1.672 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCOCC1 1316291799 VALBCTUXODGEET-ZWOKBUDYSA-N 419.526 1.674 30 10 HDEE C[C@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)cc3Cl)c2)NC(=O)NC1=O 1323581814 FEASPTMQOXPMON-GOSISDBHSA-N 418.862 1.745 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)O[C@@H]1CCN(c2ccc(C#N)cc2)C1=O 1324631702 MAIASNSADYTSHS-CQSZACIVSA-N 405.457 1.538 30 10 HDEE Cc1c(C(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)cnn1CCC#N 1350403923 WUBLJRAVJKDQIH-UHFFFAOYSA-N 400.464 1.828 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)N(C)C 1359013066 JRXAUATXFIIDHM-UHFFFAOYSA-N 405.524 1.516 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1C[C@H]1CCC(=O)N1 1359023680 RRICLRHVARRNLQ-QGZVFWFLSA-N 420.473 1.965 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1359054425 VLQSJYLGGXGCQU-SFHVURJKSA-N 412.563 1.865 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1359131408 SNXSNIVVTGXLET-INIZCTEOSA-N 413.526 1.766 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359150524 AKQWZJBDYYPIOO-KPZWWZAWSA-N 408.890 1.349 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359207717 USNWRJYCLQUJNU-INIZCTEOSA-N 417.558 1.172 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@H]1C 1359301095 RMXXQVDVIBOSKQ-MRXNPFEDSA-N 410.526 1.743 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1359301177 ULVWWQSNSMBRCJ-KGLIPLIRSA-N 416.448 1.157 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCCO[C@@H](C)C1 1359305284 YJRFOTPGNHQAQI-HNNXBMFYSA-N 403.458 1.914 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)C2CC2)C1 1359322325 TVCLUVGMOCBYQD-IDHHARJASA-N 410.540 1.123 30 10 HDEE CC(C)Cc1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359869683 DIWNFFXUTAUNRH-VHEBQXMUSA-N 414.510 1.762 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cccc(OCC(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1439796764 ORFDMIMFFZFBJT-XJKSGUPXSA-N 402.394 1.567 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1 1450549173 UJLPRCLALLDLRR-KUHUBIRLSA-N 401.488 1.903 30 10 HDEE CC(=O)N1CCC[C@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 1463630976 HJTGPLPZLCUNHS-GFCCVEGCSA-N 400.298 1.858 30 10 HDEE COC(=O)CCN(C[C@@H]1CCCO1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1465205311 UCPNLZTUWXNUFH-ZDUSSCGKSA-N 412.439 1.307 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)n1 1466796301 NDNCDRMBDRWVQT-AWEZNQCLSA-N 412.356 1.147 30 10 HDEE CCO/C=C\[C@@](O)(CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(F)(F)F 1468480421 LBTJMPPTQLKWLX-ZPUOCTKUSA-N 409.368 1.900 30 10 HDEE CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1470033027 NYSZMQPDPXRLQK-RTBURBONSA-N 411.506 1.605 30 10 HDEE CN1CCC(CNC(=O)NC(C)(C)Cc2ccc(C#N)cc2)(N2CCOCC2)CC1 1470509235 ZYZYMNLEETZAIO-UHFFFAOYSA-N 413.566 1.975 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1473479960 WKLKEJWULQNWSY-MOPGFXCFSA-N 423.535 1.204 30 10 HDEE N#Cc1csc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)n1 1478822662 ASLSQXREPKDRHG-UHFFFAOYSA-N 412.519 1.711 30 10 HDEE Cc1cccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)n1 1492517837 HQAOWSLBBPAJOK-GOSISDBHSA-N 411.510 1.224 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)s1 1492767030 DDMSOYITVRCUAK-SFHVURJKSA-N 418.502 1.635 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1502282925 HKWFOFFQSGKFSE-VQIMIIECSA-N 407.522 1.968 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)C1CCC1 1503432276 RLVWWLZOFRNSGO-KRWDZBQOSA-N 423.477 1.706 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)C[C@H]1O 1503884013 UNVJEOIRNWQFFL-SJLPKXTDSA-N 411.462 1.499 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1505124759 WUWXCQINUKCSLD-MSOLQXFVSA-N 413.503 1.785 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@]1(OC)CCOC1 1507655519 JPWMDFYBCBCYOB-JOCHJYFZSA-N 410.474 1.744 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCCS(C)(=O)=O 1507709955 GUMFUPGGZYWYTB-UHFFFAOYSA-N 415.519 1.947 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1507756167 KRWVBQWPVAFRAS-OAHLLOKOSA-N 407.565 1.500 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508072305 HSXVJTWHKWXJIL-AEFFLSMTSA-N 410.522 1.789 30 10 HDEE CC(=O)NCCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1508389196 GFMHQRQYILQFQQ-QGZVFWFLSA-N 405.462 1.748 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(S(=O)(=O)C(F)F)c1 1517927906 FPTNNTXXYHALBM-LBPRGKRZSA-N 421.429 1.695 30 10 HDEE CSC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCN(C)CC1 1519973706 NCCUJSQJGQOSOC-IAGOWNOFSA-N 420.583 1.728 30 10 HDEE C[Si](C)(C)c1ccc(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1525036195 NYGQINMVFHBNSX-UHFFFAOYSA-N 401.564 1.587 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)c(C#N)c1)C(=O)NCCN1CCOCC1 1525348650 GWAMFLPEPHGYFZ-KSSFIOAISA-N 406.914 1.805 30 10 HDEE CN(C)CCN1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1=O 1530772203 SZJBURPITLNOPF-MRXNPFEDSA-N 409.531 1.196 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1533858838 CTMRQDWVCUIKMI-INIZCTEOSA-N 420.487 1.122 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2c(F)cc(C#N)cc2F)C1 1534017722 IQFBXLCEVSKSKE-UHFFFAOYSA-N 406.389 1.398 30 10 HDEE N#C[C@]12CN(C(=O)CCCNC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1538760932 KKHYVTLJEMFNQM-QFBILLFUSA-N 405.476 1.090 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1539213442 ZNHPJDGEMLDHOW-OXQOHEQNSA-N 420.535 1.880 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC[C@@H](C(F)F)N1CCOCC1 1539257961 YAXCZUVVGIRPNT-KRWDZBQOSA-N 416.476 1.712 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N(C)CC(=O)N1CCOCC1 1539626337 CZAVFUVJCHWRDP-PKOBYXMFSA-N 403.527 1.822 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(F)F)CC1 1539722093 KGDSULDDMXFQDY-UHFFFAOYSA-N 412.485 1.494 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCN(CC)CC2)CC1 1539830162 PFKFQYSSHOEFJX-UHFFFAOYSA-N 415.586 1.698 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(c2ccccc2)C1 1540871670 QLFUHPAVSVAMJL-HTAPYJJXSA-N 411.506 1.836 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](NC(=O)CC)C1 1540873408 WWGBPWQACYKVKR-KRWDZBQOSA-N 411.510 1.061 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(C(C)=O)CC2)C1 1540890283 CCZDSXQBJGLCCA-RTBURBONSA-N 403.527 1.822 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCOC2)CCO1 1541073864 FBUHXRQHICXLJS-ICSRJNTNSA-N 424.505 1.585 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1541296035 XTNOPUPOVQBUQL-OALUTQOASA-N 404.446 1.855 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1541397156 AWRHTJSSADBAIR-NCJSADBTSA-N 400.483 1.543 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1542969432 FRDPXNHXPKIMKB-HXUWFJFHSA-N 414.489 1.941 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1545929277 VRMJDDVGCHJRGQ-SJORKVTESA-N 420.514 1.121 30 10 HDEE COCCCN(c1nnc(C2CC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1555488872 CNPGSYRXFDUGCD-HNNXBMFYSA-N 419.507 1.698 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(OC)CCOC1 1555628851 LMMDVURLFUDWMF-OXQOHEQNSA-N 407.515 1.938 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C1 1555698558 BVAXOYXOHMLNPC-LJQANCHMSA-N 422.493 1.740 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OCC)[C@@H]2CCCOC2)c1 1556151684 RLVMZHXLLKGBRR-AEFFLSMTSA-N 407.488 1.572 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1(C#N)CCCC1)n2C 1557335558 VVTLYJIUYYLHLR-UHFFFAOYSA-N 417.535 1.956 30 10 HDEE Cn1cc(/C=C/C(=O)N2CCC(B3OC(C)(C)C(C)(C)O3)CC2)c(=O)n(C)c1=O 1558163936 NCMNGFWZSPCGNH-BQYQJAHWSA-N 403.288 1.182 30 10 HDEE C[C@H](O)c1cn(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558633782 JTWSPSNVRIOGHR-FXQIFTODSA-N 422.276 1.961 30 10 HDEE C=CC[C@@H]1CCN1C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1558703967 DXRLRMRCNHWGCY-OAHLLOKOSA-N 419.503 1.946 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@]3(CO)CC[C@H](C)c4ccccc43)CC2)o1 1560226662 WUBTUESZVLUAJF-QMHKHESXSA-N 423.517 1.878 30 10 HDEE C[C@@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H](C)C1 1561490322 HCCVDXRZGYLLMP-VXGBXAGGSA-N 402.314 1.396 30 10 HDEE C=CCCCS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1562039568 UADMUIIZIZNNGQ-INIZCTEOSA-N 415.556 1.826 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)[C@H](C)Cc2ccc(C#N)cc2)CC1 1565642639 MKTXFQKZSDQASN-QZTJIDSGSA-N 400.523 1.422 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[C@@H]1[C@@H](C#N)c1ccccc1 1565899906 UBDJVVVUBMHNNW-JKSUJKDBSA-N 400.460 1.154 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)n[nH]2)c1C 1566015997 YXHYYHHFHPFTGU-XCLFUZPHSA-N 411.466 1.184 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(C)cc(=O)n(CC(=O)NC(C)C)c1C 1583820740 KHVMKXWIINOILX-UHFFFAOYSA-N 417.506 1.407 30 10 HDEE COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1585131701 CSDFQYFBNIBUFH-LIRRHRJNSA-N 400.460 1.200 30 10 HDEE C=CC1(CC(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1587141699 PDPLXKSGIQMYOK-AWEZNQCLSA-N 424.523 1.994 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1ccco1 1587555774 JSLNXEAGKADDGV-AWEZNQCLSA-N 407.434 1.406 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1587620297 BYGSZJMNSFTFIK-CVEARBPZSA-N 414.510 1.432 30 10 HDEE C[C@@]1(C(F)(F)F)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1587649082 DPFIKSHANCBTAC-INIZCTEOSA-N 419.425 1.685 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588049747 LELQYGNSFNMVEU-IAGOWNOFSA-N 418.567 1.630 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCC[C@H]1C 1588088859 BFWBZAXAUXWDMO-COPCDDAFSA-N 400.523 1.943 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C)n(C)c1=O 1588089284 HQMSGXFHORGFNE-QFIPXVFZSA-N 409.490 1.058 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCSC2)CC1 1588780508 RGHCYSGOPFUJIQ-OAQYLSRUSA-N 413.547 1.577 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C)s1 1589151020 PTOXNGAELZDXRB-BDJLRTHQSA-N 409.541 1.089 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCOCC2)C1 1595714610 OPSRSUQQFYGUAB-KRWDZBQOSA-N 413.526 1.627 30 10 HDEE C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1611596991 GDRVNYBFNFSZRW-AZUAARDMSA-N 410.522 1.513 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccccc2)n1 1612502407 HGFOGOYZKASSIJ-UGKGYDQZSA-N 421.505 1.776 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)C(C)(C)C 1612575978 ODQBBBCEGACXSO-UHFFFAOYSA-N 404.496 1.335 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@H](C)C1 1612800608 GSPGJDRWVVLLGD-ZWKOTPCHSA-N 417.558 1.657 30 10 HDEE C=CCn1ncc2ccc(NC(=O)c3cnc4c(c3C)c(=O)n(C)c(=O)n4C)cc21 1615748286 IZOVRHKEKXIWHF-UHFFFAOYSA-N 404.430 1.729 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1615755245 YREXTGYQKHSOTE-VFAFWLKOSA-N 415.542 1.847 30 10 HDEE N#C[C@@]12CN(C(=O)c3c(F)cc(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1617486305 CZSFGCGFWXUUOZ-RTHLEPHNSA-N 405.220 1.738 30 10 HDEE C=CCN1CC[C@H](N(C)C[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)C1=O 1617562276 PSJOKSHNDDUDMX-UGKGYDQZSA-N 401.507 1.869 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1 1618199698 WYIVEXINRCPHQK-MRXNPFEDSA-N 409.508 1.981 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCO[C@@H](C#N)C1 1619615362 BIZOBYDZSUIHDZ-CABCVRRESA-N 403.414 1.430 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@H]2CCOC2)C1 1620345838 LKGICAVQCIAJJW-KXBFYZLASA-N 406.462 1.152 30 10 HDEE N#CCCn1cc(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)c(-c2ccc([N+](=O)[O-])cc2)n1 1624286190 MJGGMUHGVFYZFX-HDICACEKSA-N 424.461 1.965 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OCC 1624303460 IREXWKRQSVHYRD-INIZCTEOSA-N 411.524 1.827 30 10 HDEE O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)NCc1ccc(C(=O)NO)cc1 1626242884 RYEFVWVSDPETCD-CYBMUJFWSA-N 409.489 1.023 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cccc(F)c2)c1OC 1628486508 XDYMHMUSVSRVSJ-HNNXBMFYSA-N 407.423 1.502 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1628849723 MVDUOTKNLMRYRR-ZDUSSCGKSA-N 414.243 1.242 30 10 HDEE CN(C)CCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1628886930 CFMRLWMAOLDVRR-DKTYTTGXSA-N 419.570 1.479 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(O)C1 1629268551 LSYCGJPUFPWQPN-UHFFFAOYSA-N 415.494 1.268 30 10 HDEE C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)CCN1S(C)(=O)=O 1629367868 SOLFCHZLIJSNNO-LLVKDONJSA-N 416.297 1.192 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O 1630720983 QWCJLIHHRVXULL-ZNMIVQPWSA-N 411.499 1.390 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 1631898967 ABWPZLHNBAGJAH-CVEARBPZSA-N 401.492 1.329 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 1635378311 MROIZWRRJGWIER-UHFFFAOYSA-N 413.459 1.167 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnc(OCC4CC4)c(Cl)c3)C2)c(=O)nc1O 1637514416 TYGGHEUPAHBUNK-UHFFFAOYSA-N 401.810 1.355 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)CC1 1637909984 XZQIDRFYVUQAQN-UHFFFAOYSA-N 420.395 1.590 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCC(C#N)(c3ccccn3)CC2)c1N)OCC 1639503872 NUZUVAFWOCBGPE-UHFFFAOYSA-N 412.494 1.957 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1639840848 UHCUMJNNROBSBF-MOPGFXCFSA-N 403.523 1.902 30 10 HDEE CN(C[C@H](O)c1cccnc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1640261110 UIKXJQKPGWUTPY-INIZCTEOSA-N 402.476 1.092 30 10 HDEE C[C@H](CC(=O)NCc1cc2n(n1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1640383193 MNAWJJFLYHZXJR-CYBMUJFWSA-N 401.492 1.353 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCOCCOC)CC1 1640511564 LETKUOADTAWVLV-INIZCTEOSA-N 419.950 1.830 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2ccc(C(F)(F)F)n2)cc1 1644048632 SLUBYUTWIYMAHS-UHFFFAOYSA-N 400.382 1.243 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)C1 1644638496 SOKOMYJEDUQRJO-AQNXPRMDSA-N 406.486 1.792 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1646088074 WBEQUKIOKMKCNT-CABCVRRESA-N 420.491 1.120 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@@H]2COCC[C@@H]21 1647779153 AZEYMCNIAGKLDT-IXDOHACOSA-N 421.519 1.300 30 10 HDEE CC(C)c1ccc(OCCNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1648503637 PQJULLLJJOVAGW-FXAWDEMLSA-N 405.520 1.175 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1c2ccccc2OC[C@H]1F 1651796523 SMRRHCDVMCTZDC-XZOAIXRZSA-N 403.435 1.813 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NC[C@@H]1CCCN(CC#N)C1 1654363271 QPISJPDJMSXJTB-OALUTQOASA-N 402.495 1.670 30 10 HDEE CC(C)(C)OC(=O)CS(=O)(=O)CCNC1(c2ccc(C#N)cc2)CCOCC1 1654489982 YBVRSHYWOBBNBX-UHFFFAOYSA-N 408.520 1.910 30 10 HDEE C#C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1654868003 PETLYRYHBLTCMZ-MSOLQXFVSA-N 419.547 1.688 30 10 HDEE Cc1c(C#N)c(=O)n(CCCCCCCNC(=O)OC(C)(C)C)c(=O)n1CCO 1656827710 ASRHDTKUDAWEGV-UHFFFAOYSA-N 408.499 1.658 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 1657689569 HIXGVPJLDUUNOR-GXTWGEPZSA-N 414.915 1.836 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(CC(=O)OCC)CCOCC2)c1 1663339287 VOLITHQSQRNWGF-UHFFFAOYSA-N 410.492 1.383 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)C(=O)OC 1663796810 OTCBHGFINQIXTA-CYBMUJFWSA-N 420.281 1.318 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c(Cl)cc21 1664961928 XYLGNPLVWWPMTJ-HNNXBMFYSA-N 408.911 1.610 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1667315147 FJQUVJUBLFUJHA-HLLBOEOZSA-N 409.508 1.644 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H]3CCCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1679713856 QRMBSIFOWFSDPO-YZVOILCLSA-N 406.483 1.374 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)N1CCCC1 1680778949 PAAUMKJODKXBRL-GOSISDBHSA-N 411.506 1.607 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1682617169 WXWUDINJLZQTKE-HZMVEIRTSA-N 405.499 1.766 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1)C1CCOCC1 1684188600 SRNFSKZCLRZZRM-FQEVSTJZSA-N 412.534 1.998 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1685313180 ODARCGZIOHJAJQ-HOTGVXAUSA-N 423.510 1.393 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cc4ccccc4nc3O)CC2)c1C#N 1685737834 PDDLNGFGJSBVRR-UHFFFAOYSA-N 405.462 1.886 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CC1 1687124319 WTZDRDXHNMQCLC-UHFFFAOYSA-N 419.482 1.267 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@@](=O)CC 1689847394 YSIJSVZDGQVVAK-POXGOYDTSA-N 422.580 1.465 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1689847939 LTXTWNYQEBDBAL-OAHLLOKOSA-N 421.505 1.566 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1689854784 HTTJZDSPGXNKHJ-WMZOPIPTSA-N 413.497 1.961 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1689934379 SSDRYNNNVMLURE-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689936781 DIDBIYCGEJCKBV-HXUWFJFHSA-N 416.551 1.568 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCCN1CC)[C@@H]1CCS(=O)(=O)C1 1689980625 VKJSYPXVJONNLV-QZTJIDSGSA-N 407.584 1.903 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(N3CCOCC3)c(F)c2)CC1 1690126253 XGJPKZYLIRBSNE-UHFFFAOYSA-N 412.513 1.620 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690237210 WNVBPQJRQUGUNF-IKGGRYGDSA-N 416.526 1.855 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCSC2)C1 1690328918 QLIXKDHGOOCGHW-SWLSCSKDSA-N 405.977 1.974 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCOCC2)CC1 1690375998 ZRLKEOFZFQJMHP-MRXNPFEDSA-N 410.540 1.268 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1690530073 HVEUEWLCORGYEQ-UHFFFAOYSA-N 409.494 1.421 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](OC)C1 1690663097 LVDZKLLCFSNOME-MRXNPFEDSA-N 400.439 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CC[C@@H](OC)C1 1690665401 BVMOTKRSAZNCKB-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCOc1ccccc1Cn1c(CC2CC2)nnc1N1CCO[C@H](C(=O)NC)C1 1690683671 REKZPHLLMQOBJH-IBGZPJMESA-N 411.506 1.795 30 10 HDEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1693862224 CUEVNRHIYYSBRH-CQSZACIVSA-N 410.507 1.847 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCn2ccnc2C)cc1 1697493027 FHJPUNRBTBCBBY-IBGZPJMESA-N 423.477 1.800 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(OC)CCOC1 1698134498 DKDDRPKKOZMULR-UZLBHIALSA-N 407.515 1.938 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1705603957 BDOLKCKVFYSQGJ-MRXNPFEDSA-N 418.567 1.458 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCN2CCCC2)CC1 1705647748 JVEGIVINAFNYSK-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1 1705711033 XSPUZERRHZXLKA-GFCCVEGCSA-N 413.573 1.693 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C2CC2)N(C)C)CC1 1705780842 HZACYXQOIFHKLX-RHSMWYFYSA-N 410.588 1.631 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCSC2)C1 1705925783 UKEQYRQENISKSZ-ARFHVFGLSA-N 412.581 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC[C@@H]1C 1705931106 GBSXGGBJJDSANA-AWEZNQCLSA-N 421.479 1.679 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@H]2CCCO2)CC1 1705935728 BPFLWDOEQQXZJZ-ZWKOTPCHSA-N 424.567 1.778 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C(=O)OC(C)(C)C 1706625184 HEUGCUXVHNGZEL-AWEZNQCLSA-N 421.502 1.012 30 10 HDEE C[C@@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1(C)C 1708275027 XXRCUJOGWYVVTO-UONOGXRCSA-N 419.507 1.697 30 10 HDEE COC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1711463977 DGUBATOARSXFHR-AWEZNQCLSA-N 405.503 1.633 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1N1CCOCC1 1722274237 HLSTUPUGILGZBI-GOSISDBHSA-N 422.533 1.857 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722320042 RSGVILADGGOQDY-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)N(C)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1722365509 FCLFWLNTAHENEX-MJGOQNOKSA-N 415.563 1.992 30 10 HDEE C#CCN(c1nnc(C)n1CC1(c2ccccc2OC)CC1)[C@H]1CCS(=O)(=O)C1 1722366462 RVVWKTGSNJUMKB-KRWDZBQOSA-N 414.531 1.954 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2nsnc2c1 1722369970 DIOQZIJUISZMCD-UHFFFAOYSA-N 405.487 1.640 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1722378717 IBEWRTGPPHGXCU-OAQYLSRUSA-N 423.546 1.016 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1722383389 HKUMWVBXYXGTEI-KRWDZBQOSA-N 419.551 1.120 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1722581724 LCHUPHZOWPMVTL-RDJZCZTQSA-N 423.583 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1722696487 AEBNGPJCPYFYBB-CYBMUJFWSA-N 424.431 1.110 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCS(=O)(=O)C2)C1 1722711102 AFNVGKAVNBCUOJ-HOTGVXAUSA-N 405.524 1.500 30 10 HDEE CC1(C)SCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1724042113 SFYYQPIGLBKWJU-HUUCEWRRSA-N 404.540 1.775 30 10 HDEE Cc1nnc([C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCO2)o1 1726244183 GNTPLNNOAUQQNY-INIZCTEOSA-N 409.450 1.857 30 10 HDEE CC[C@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1727256023 DISBSFVXXOOXMQ-QGZVFWFLSA-N 419.493 1.753 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1730829363 DMPIAHWYEHHAGV-QRWLVFNGSA-N 404.515 1.610 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1740531095 FERGXZRYHCQOFG-ZDUSSCGKSA-N 420.315 1.631 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1740532240 YYBFXJDEPCDKKT-GDBMZVCRSA-N 424.571 1.078 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[S@](=O)C(C)(C)C 1740631318 AMDHAHPYGAQSQY-NGOKVRLYSA-N 406.552 1.550 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1740671654 LREKMGLKRUAWEL-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CCO[C@H]1C1CC1 1740689072 YVPJKAMMCUYJPB-RBBKRZOGSA-N 415.538 1.692 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(C(C)(C)C)no2)CC1 1740689107 OUTCOIXHBIGMNW-UHFFFAOYSA-N 413.526 1.505 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](CC(C)C)N(C)C)CC1 1740697636 AWBPISDIWXCAQN-OAQYLSRUSA-N 409.582 1.995 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740718031 GJFJWSKQNSFVAT-HNAYVOBHSA-N 405.524 1.917 30 10 HDEE C=CCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949821 UBBMWVSYFGTKBR-ZSDSOXJFSA-N 416.526 1.951 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)OCC)CC1 1740958026 HFAFRIVZBNQUPI-OAHLLOKOSA-N 406.487 1.100 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cnn(C)c1C 1740989453 NFUJGZUAGUXSDJ-UHFFFAOYSA-N 417.539 1.563 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC(F)(F)F)n1 1742714400 VFMZEYBUIDITKG-AWEZNQCLSA-N 413.404 1.795 30 10 HDEE CC[C@](C)(O)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1743461309 BRGUREHJBUSGOT-QFIPXVFZSA-N 419.489 1.960 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1cnn(C)n1 1747129795 IXXQXEMUXKYITE-UHFFFAOYSA-N 423.481 1.111 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)cc1F 1747572372 JZGWEDZRIZZRTJ-MGPUTAFESA-N 415.448 1.925 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1)[C@@H]1CCOC1 1747661022 QAPABFCKVCESGO-HYDGNGQDSA-N 415.519 1.865 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1748364700 ARTGSFZPVLRCBH-AWEZNQCLSA-N 400.483 1.854 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1cccs1 1748639385 GGBHYNCKDWETIR-DCGLDWPTSA-N 411.553 1.315 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOC1=O 1748681630 GZQWUBBRRHVSIY-INIZCTEOSA-N 407.478 1.817 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748783154 FPOPSZTUTHYNSJ-UHFFFAOYSA-N 404.474 1.925 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(OCC)CCCC1 1748825734 DKQBZHHGRZQBRU-INIZCTEOSA-N 407.540 1.310 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCOCC1 1748848332 BKDQPUQRXXJCLR-IBGZPJMESA-N 407.518 1.671 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCC(=O)N(CC)CC 1748875676 TYGFKQYKRLDHQC-UHFFFAOYSA-N 412.538 1.626 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1748972803 QZUYFDUKXZTKMP-KRWDZBQOSA-N 415.563 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1748972804 QZUYFDUKXZTKMP-QGZVFWFLSA-N 415.563 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749488088 IPIPLYVHFJYUPX-BBWFWOEESA-N 409.556 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749664191 HUJODZXRHZGLSI-ZDUSSCGKSA-N 407.471 1.010 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1749713955 BOPJUQICBMGLTB-ZTQAJYAQSA-N 419.551 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749722035 ZPWQHVKUZGOSNK-KBPBESRZSA-N 404.558 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1749732184 RQBBRAXUHGHCFD-INIZCTEOSA-N 404.540 1.874 30 10 HDEE C[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)COCCO1 1751306430 WWHOYCCHQRTYHC-VQIMIIECSA-N 423.539 1.116 30 10 HDEE O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CC#Cc1ccccc1)[C@@H]1OC[C@@H]2COCC[C@@H]21 1757819852 WOLLECFHJSEINU-LQQKAPEUSA-N 408.498 1.728 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)c1 1760224302 FDRDPUFIRZSXLC-UHFFFAOYSA-N 422.533 1.859 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC 1760241713 HNOCVJPKAIOXOB-KRWDZBQOSA-N 420.510 1.996 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1Cc1nnc2n1CCC2 1760246989 LCUBYTDBODFVJA-UHFFFAOYSA-N 412.885 1.666 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(O)CCN(C(C)C)CC1 1760250466 ZUVXRHMJMKCYQG-IBGZPJMESA-N 419.570 1.493 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(O)c2)CC1 1760269799 PDKJWPBGEATTLX-IBGZPJMESA-N 423.517 1.892 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1760357088 DHCHRKSJGALALP-SFHVURJKSA-N 423.583 1.305 30 10 HDEE C=CCn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1760513406 WXMNDOOMSYNYKO-HXUWFJFHSA-N 400.483 1.161 30 10 HDEE CCCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1764414906 ZEMCRLTVWFQLHV-OXQOHEQNSA-N 403.506 1.793 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(C)(OC)C1 1772886991 DFKHEPUMEBWDJQ-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)Cn2cnc3ccccc3c2=O)CC1 1850189345 AEPLWZMKFSBHAC-UHFFFAOYSA-N 402.458 1.696 30 10 HDEE N#CC1(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CCOCC1 1850461608 ITHYQCKBYAJCIT-UHFFFAOYSA-N 403.863 1.584 30 10 HDEE Cc1nn2c(C)c(C(=O)Nc3ccc(C(=O)N4CCN(C)CC4)cc3)cnc2c1C#N 1851629736 BSOTYYOOMYIVNA-UHFFFAOYSA-N 417.473 1.858 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CO2)nc1 1851682731 JJOYBSZMARSXMP-ROUUACIJSA-N 424.388 1.240 30 10 HDEE N#Cc1cnc(NC(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)c(Br)c1 1851683637 QCTJCQXVRNSVDB-NSHDSACASA-N 413.297 1.858 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(CCOC(=O)[C@H]2C[C@H]2C)CC1 1851792845 VDJYXFJHZKGDPV-PBHICJAKSA-N 400.479 1.760 30 10 HDEE CC(=O)NCCc1ccc(OCC(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)cc1 1851793289 IAOSMFOMKYOPMO-IBGZPJMESA-N 410.430 1.374 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)CO2)nc1 1852469053 VZZKXSWMISTPKS-AEFFLSMTSA-N 410.405 1.804 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F)CC2 1852735819 WPVNPSCNIBQZTN-JTQLQIEISA-N 420.413 1.146 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1=O 1853829371 VFAFISWKTDHRKO-RTBURBONSA-N 415.490 1.554 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)cc3F)C2)cc1 1854379954 INRJPKDJKAUHBT-OAHLLOKOSA-N 408.382 1.927 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCCN(C(=O)[C@@H]3CCCS3)C2=O)C1 1854881601 UEZZVSIQLZPTDC-AEFFLSMTSA-N 400.504 1.820 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCC[C@H](N3CC(Cn4cncn4)C3)C2=O)c1 1854955692 SFKGDWVEBPYKPV-SFHVURJKSA-N 412.881 1.761 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cn3cnc4ccccc43)C(=O)C2)C1 1854957311 WIDOWOLAPBECOD-QZTJIDSGSA-N 408.506 1.474 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3C(C)(C)CC(=O)CC3(C)C)CC2=O)CC1=O 1856062861 WBDSELIWJZHCNQ-HOTGVXAUSA-N 403.523 1.618 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCCC2 1856298762 MMFKYNGJVRDSCJ-KRWDZBQOSA-N 403.523 1.574 30 10 HDEE Cn1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)c(C(F)F)n1 1856340832 HVKLYHRPVPOLMV-UHFFFAOYSA-N 403.389 1.593 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(CC)cc3)C2)CC1=O 1856370543 KPZONFVRLQDBFA-SFHVURJKSA-N 419.547 1.649 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCN(C(=O)COc3cccnn3)C2=O)CC1 1856467889 AADVFTUGMZGZRP-QGZVFWFLSA-N 406.446 1.129 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C[C@H]1CCCO1 1856898125 NYCUVJXGTFLSQW-OAHLLOKOSA-N 405.476 1.596 30 10 HDEE C[C@@H]1CCN(C[C@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CCS1(=O)=O 1857335176 ZRCBWJIUXAXXAS-VQIMIIECSA-N 417.531 1.375 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)[C@@H](C)C1=O 1857471461 KXWJEFNXRXMNNO-HNNXBMFYSA-N 402.476 1.587 30 10 HDEE COc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1858021048 GLHNSGBQJHTYBO-LJQANCHMSA-N 415.471 1.711 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCN(C)C)=C(N)Oc2c1c(C)nn2C 1864316470 KKRGUCZKLGUKOW-GOSISDBHSA-N 411.506 1.666 30 10 HDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCC(CO)CC2)CC1 1868782228 FLVWAMBNNQFJKJ-KRWDZBQOSA-N 404.536 1.372 30 10 HDEE CN1CCN(c2ccc(-n3nnc(C#N)c3NC(=O)COc3ccccc3)cc2)CC1 1870147894 LWEIFUJJBZZFHK-UHFFFAOYSA-N 417.473 1.908 30 10 HDEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870445239 VVLNHGHTFILXPN-UHFFFAOYSA-N 405.495 1.419 30 10 HDEE C=CCn1c(C(=O)Nc2cc(NC(C)=O)ccc2C)cc2c(=O)n(C)c(=O)n(C)c21 1873597411 GERQFURBIAIWLE-UHFFFAOYSA-N 409.446 1.744 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3c(F)cc(F)cc3F)CC2)CC1 1889299028 SOIILUVPZMUIRZ-UHFFFAOYSA-N 409.452 1.976 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1890847059 GWVZITQZJGWYQT-PKOBYXMFSA-N 407.511 1.535 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985178135 GYWMDMWNPBODIW-IPMKNSEASA-N 414.506 1.763 30 10 HDEE CC1(C)OB(c2cnc(N3CC[C@H](NS(C)(=O)=O)C3)c(Cl)c2)OC1(C)C 2172709562 MEQISGDCIYAIET-LBPRGKRZSA-N 401.725 1.162 30 10 HDEE CC1(C)OB(c2cnc(N3CCN(C4COC4)CC3)c(Br)c2)OC1(C)C 2172777508 DIUMJECJJVHIQU-UHFFFAOYSA-N 424.148 1.664 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N(OCc2ccccc2)C2CNC2)OC1(C)C 2243372363 NSZHGLLKSLIRFY-UHFFFAOYSA-N 415.324 1.988 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243424917 ZXBAOXSBNNQRHW-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE C#CCN(Cc1ccccc1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2243425718 BFHFWHJXVJTCSM-UHFFFAOYSA-N 415.324 1.543 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCCO1 2243703317 WFBLZLAKFSLEEB-HUUCEWRRSA-N 408.304 1.810 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2247844333 ALVHNQABPLHVAJ-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE Cn1cc(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2255666795 ZGLUXEFBDQGDMW-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE Cn1cc(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)nc1B1OC(C)(C)C(C)(C)O1 2255666796 ZGLUXEFBDQGDMW-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE C=CCCC1(C(=O)N2CCC(S(N)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 2280942094 GPWGIGXIUBGXFG-UHFFFAOYSA-N 401.529 1.469 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@H](C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282307047 WIGCYFPLZASTPL-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@@](C)(N)C1 2282326563 UWGCOPJENPOEAG-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282333528 PXFDWBMZKXOLSY-ZJWNCGCPSA-N 401.359 1.421 30 10 HDEE CC[C@@H](CO)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282504527 QCDXFOYFMYITOO-GFCCVEGCSA-N 403.737 1.936 30 10 HDEE C[C@H]1CC[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282504620 RMDMQAKUEMAGAL-RYUDHWBXSA-N 402.347 1.429 30 10 HDEE C[S@](=O)CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282506880 YYKDPCBKRIWUQL-VWLOTQADSA-N 419.399 1.436 30 10 HDEE CO[C@H]1CNCC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282613855 NORPPRNWUSKMFS-NEPJUHHUSA-N 400.737 1.807 30 10 HDEE COC1(CCN)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282637385 XWLIBXBJJLYTJE-UHFFFAOYSA-N 400.737 1.891 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1=O 2282844825 JHJPIFZOTWUAOA-JTQLQIEISA-N 420.749 1.210 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@H]3C(N)=O)s2)OC1(C)C 2282847742 DFJRHSDZJGMAMO-NSHDSACASA-N 400.331 1.076 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCCCN3)c2)OC1(C)C 2282848392 MYMPOGQPAUHLTN-AWEZNQCLSA-N 400.375 1.858 30 10 HDEE CC1(C)CNCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848741 RDZPUZVICRGGDB-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C(C)(C)C1 2282857179 DPRCDZOGKCMPEL-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE CC(C)[C@H](C(=O)O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284405025 FKOJWVZDNCVOMC-CYBMUJFWSA-N 403.331 1.777 30 10 HDEE C[C@H](ONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284406076 TZEOYNMRUKVJSR-VIFPVBQESA-N 405.665 1.322 30 10 HDEE CON(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284412366 BSGOBGAUHBUTTC-UHFFFAOYSA-N 405.665 1.276 30 10 HDEE CC(C)SC[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284468192 NKRKOSKQOQZLDM-NSHDSACASA-N 400.331 1.767 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)O[C@@H]2C1 2289381876 GZLMHKVDDVUHED-RVMXOQNASA-N 402.513 1.679 30 10 HDEE C=CC[C@H](N)[C@@H]1CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2314268076 UUXVIDHEYYLBCM-BXWFABGCSA-N 409.483 1.318 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C)CN(S(=O)(=O)N2CCC(C#N)CC2)CC1(F)F 2361775207 YXNGXFXMNGUVHA-HNNXBMFYSA-N 408.471 1.701 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@@H](O)c1cc(I)nn1C 2363678440 UYVLXPNACFJEHC-NOZJJQNGSA-N 402.261 1.463 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)O1 2365195524 CBVQIZFSUYNCLQ-XHSDSOJGSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CS2 2365358622 JNNHHXGDYFQWAC-GOSISDBHSA-N 417.549 1.240 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)CCOCCNC(=O)OC(C)(C)C 2367789152 CLYWEFHKUSIEFF-INIZCTEOSA-N 402.557 1.867 30 10 HDEE CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)N(CCC#N)CCC#N)CC2)CC1=O 20368837 GXTWTROTRBFROR-KRWDZBQOSA-N 401.511 1.528 30 10 HDEE N#CC1=c2oc(=O)/c(=C\c3ccccc3F)n2-c2oc(N)nc2[C@H]1c1ccccc1F 20494549 HIBZOYPQPKNEGC-NDCSFFLDSA-N 418.359 1.927 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)c1O 21318752 GBOUBAGNOWQNOE-KEBDBYFISA-N 413.463 1.883 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)ccc1Cl 56054619 SQZBFCFEEZMQEA-INIZCTEOSA-N 401.941 1.698 30 10 HDEE CC[C@]1(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN(C(=O)NC)C1 65292115 KFQBCRGWKHVORI-IBGZPJMESA-N 405.524 1.058 30 10 HDEE O=C1C=C(O)c2c(O)cc(O)c(C3=C(O)c4c(O)cc(O)cc4C(=O)C3=O)c2C1=O 137671427 IHEKRRLEONOHHE-UHFFFAOYSA-N 410.290 1.365 30 10 HDEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 409715910 JHHTXZSVTLWKAB-HOTGVXAUSA-N 410.478 1.411 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 438953985 CFILDLQPENSBPT-TUVASFSCSA-N 412.851 1.325 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cn(C)nc2C(F)(F)F)c1 438958001 KUGCIFGLTVDWTP-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]2C 440150943 NZKHUVRBMPITTQ-CQSZACIVSA-N 416.507 1.810 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)[C@H]3CCO[C@H]3C)c(C#N)c2N)cc1 442766068 VZCHZNOPZLAHEO-KSSFIOAISA-N 403.508 1.664 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 460384706 FDIPUNWNXQWFOI-ZIAGYGMSSA-N 401.558 1.129 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 460773402 UUFLPZBRENCJII-QGZVFWFLSA-N 403.508 1.707 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473438758 DUHXAMFDMVCFSY-CQSZACIVSA-N 417.491 1.029 30 10 HDEE Cn1ncc(C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)c1C#N 476951574 QNKFFKLQZSJDJV-UHFFFAOYSA-N 422.272 1.962 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)N2CCCC2)C1 482155649 VUFQYOIMMWUZRW-RDJZCZTQSA-N 418.519 1.086 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)cc1 483526263 CRWNCNSLKJVZRS-SUMWQHHRSA-N 420.491 1.274 30 10 HDEE COC(=O)C1(CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)CCCCC1 489088060 LMGNRXPMJFUJNJ-UHFFFAOYSA-N 406.508 1.529 30 10 HDEE N#CC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 490392936 JIUFIUANXFPTEB-INIZCTEOSA-N 405.476 1.340 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(Br)cc1)S(=O)(=O)c1cccnc1 499409848 XJIAKADEOQILLA-OAHLLOKOSA-N 423.292 1.846 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C(=O)CC#N)CC3)C2)s1 503623366 BTRKHFUBWISBEH-OAHLLOKOSA-N 424.548 1.042 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cc(OC)ncn2)CC1 508705385 IWEOLQJDNCEPOM-HNNXBMFYSA-N 403.487 1.313 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508818536 SVXXDDFXUUADCG-MRXNPFEDSA-N 403.450 1.535 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 508863368 JQBWZPLMVANHOX-HUUCEWRRSA-N 405.524 1.995 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508908016 QPOUQLSQIUMNGZ-QAPCUYQASA-N 421.461 1.970 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C(=O)C12CCCCC2 510098521 HYOBLTONPSNCLX-IBGZPJMESA-N 423.517 1.820 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCOC2)c1=O 533086206 NEIYZUKOOUYLGT-OAHLLOKOSA-N 424.522 1.827 30 10 HDEE Cn1nccc1C1=CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 553747926 WPBAWYOKCDBDBZ-IBGZPJMESA-N 404.474 1.892 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 558962924 XNOAGFNBWBSDJJ-GOSISDBHSA-N 413.526 1.809 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 558995336 XQWUXXNSWKESJJ-DLBZAZTESA-N 411.510 1.658 30 10 HDEE C[C@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 586863878 COFLDLMUULJIGK-KKSFZXQISA-N 424.476 1.719 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589344536 ZWFXQFXROSPADH-UHFFFAOYSA-N 414.443 1.960 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1 609458583 GFAPIJWKICCEMT-RTBURBONSA-N 404.536 1.532 30 10 HDEE CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 610325485 YKOSFNYRQQAIAV-UHFFFAOYSA-N 400.464 1.215 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](n3ccnc3)C2)n1 611607577 CSHQDRQTKFYMHC-CQSZACIVSA-N 407.409 1.882 30 10 HDEE CC(C)(C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1C(=O)c2ccccc2C1=O 613672413 ANJBQXSPGSDMMS-UHFFFAOYSA-N 403.442 1.677 30 10 HDEE N#Cc1cccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 619597517 UVLOCCUJJLHVPQ-UHFFFAOYSA-N 419.528 1.864 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669817981 FLMLAVNUPDKIGU-XLIONFOSSA-N 409.538 1.439 30 10 HDEE NC(=NO)c1cc(Br)cn(Cc2ncc(Br)s2)c1=O 713669701 OZKRZNYMKDCEQP-UHFFFAOYSA-N 408.075 1.973 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(C)cc1C 727415659 XNPQTZCQQAYJAC-UHFFFAOYSA-N 405.479 1.914 30 10 HDEE C#CCN(C(=O)CSc1nncn1-c1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729331834 HVBCULOJAKMCAT-MRXNPFEDSA-N 404.517 1.317 30 10 HDEE COc1cccc([C@H]2C[C@@H]2C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 730342058 CRVVSSMJEODVSC-MSOLQXFVSA-N 424.457 1.859 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 731862728 KTIQXEWKFCUSFF-FYWRMAATSA-N 417.365 1.236 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(OC(F)(F)F)cc1 737305390 HPVMJLOKDSPOOI-YPKPFQOOSA-N 412.324 1.166 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 749524160 ULJRCCHDJJDFRP-CQSZACIVSA-N 421.519 1.696 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(OCC)nn2)c1C 751368375 BZILBJKYGWZHKT-UHFFFAOYSA-N 404.430 1.985 30 10 HDEE Cn1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(-c2ccccn2)n1 762554068 IHEWGKJYPHBODM-UHFFFAOYSA-N 424.486 1.940 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCOCC2CCC2)C1=O 764940336 OTVMQFHESIRWBW-OAHLLOKOSA-N 406.508 1.975 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC)sc(=Cc2cc(C)cc(Br)c2)c1=O 772275928 GOHIRCLXEJWODF-UHFFFAOYSA-N 420.332 1.640 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 774248299 QICDYWLBSWTZRT-CVEARBPZSA-N 409.895 1.277 30 10 HDEE C#C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1CCCO1 775343161 XYXIRXSLOUIYNJ-HUUCEWRRSA-N 405.248 1.732 30 10 HDEE CNS(=O)(=O)CCCOC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 777049244 MYRYEBDRSKGCAD-UHFFFAOYSA-N 413.399 1.252 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCCN1C(=O)c2ccccc2S1(=O)=O 780176918 QTBCVOZZGKYKPN-LJQANCHMSA-N 422.459 1.636 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC1CCC2(CC1)OCCO2 780178601 SJODVAMWWBAHSL-LJQANCHMSA-N 410.467 1.593 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780889018 ZYKULWWIJOTABD-LJQANCHMSA-N 420.535 1.245 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NS(=O)(=O)c2cnnn2C)cc1C 781738381 NHTXOVNSXWIYHT-UHFFFAOYSA-N 413.463 1.328 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 786374482 MYVMNDCMWSRRJR-LMSBXDPUSA-N 418.833 1.838 30 10 HDEE CC(C)(C)OC(=O)NC1(CO)CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 787912079 CERPACKGTASNSK-UHFFFAOYSA-N 413.471 1.738 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C2=NO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 788646601 IAQVHHQRELNELF-OAHLLOKOSA-N 400.435 1.392 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CC(=O)Nc1ccc(C#N)cc1)S2(=O)=O 790030005 OMKWCCFKZZAAHV-UHFFFAOYSA-N 401.400 1.359 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)N2CCOc3ccccc32)n1 790104480 CEKHLCRUDFCHTB-UHFFFAOYSA-N 410.474 1.697 30 10 HDEE CN(CCOC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 791252878 PDQSSNADBDZZDF-UHFFFAOYSA-N 411.480 1.525 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)c1 791299985 AUEPHNKHFBVUKX-UHFFFAOYSA-N 419.434 1.421 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)cc1Br 795074730 ZHQGTGNGMUPCOT-LLVKDONJSA-N 422.322 1.269 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)[C@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 797292647 SVPROTQWYYITRQ-SJKOYZFVSA-N 404.485 1.340 30 10 HDEE CN(CCNc1ccc(S(N)(=O)=O)cc1C#N)S(=O)(=O)c1ccc(F)cc1 797837606 XDZYDVLLITUXHQ-UHFFFAOYSA-N 412.468 1.077 30 10 HDEE Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NCCN/C(O)=C1/N=CC=CC1=O 800912181 HJZLKJVUUYNQJF-PFONDFGASA-N 403.382 1.819 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c(F)c1 804625852 HCORFWRUAABCHQ-QZQOTICOSA-N 412.421 1.984 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 809920417 YOYQPWOULHATMV-IBGZPJMESA-N 410.522 1.556 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(=NOCc3nc(N(C)C)no3)CC2)cc1 809992411 NCNXSHPDIJYCLA-UHFFFAOYSA-N 409.468 1.502 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)N3CCN(c4cccc(F)c4C#N)CC3)nc21 915072313 HSBIGVRUADLIMZ-UHFFFAOYSA-N 409.425 1.361 30 10 HDEE CC[C@H](C)c1ccc(NC(=O)[C@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916954533 ISTZXZQCCDRHIA-XJKSGUPXSA-N 406.446 1.991 30 10 HDEE CCOC(=O)CSc1nnc(NN=Cc2cc(OC)c(OC)c(OC)c2)n1N 1084250990 ZZXLDCGMARXYQG-UHFFFAOYSA-N 410.456 1.119 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)CC2)c1 1136041258 VBRIXKZCEGDZJL-MJGOQNOKSA-N 420.391 1.413 30 10 HDEE CN1CCN(C(=O)CCNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1136659446 FGOBJGIAYZOSJL-INIZCTEOSA-N 409.531 1.244 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)n1 1139833706 OEFJUNFPTYTJSQ-ICSRJNTNSA-N 412.465 1.208 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccc(O)nc2)CC1 1142926329 UEDYPHMOUVYCBM-MRXNPFEDSA-N 416.478 1.378 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccccc2OC(F)(F)F)CC1 1152974264 QVHKOPSUGINHAM-FPLPWBNLSA-N 417.409 1.210 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1162475447 WYLPJMIJQXHDER-JSGCOSHPSA-N 400.522 1.214 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)c1 1167621779 HEENFXIZEYNQCV-LJQANCHMSA-N 417.508 1.883 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN1CC[C@H](O)C1 1169911173 GOKNUHGKJNFDEU-ZDUSSCGKSA-N 412.284 1.281 30 10 HDEE Cc1cc(C)n(-c2ccc(Cl)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)n1 1178757032 JNEMPRKXYLTENB-UGSOOPFHSA-N 419.894 1.548 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C(=O)OC)cc1 1190446551 OBKFCPBDFKIOSW-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 1197069811 MWQADLSALSWAAO-UHFFFAOYSA-N 414.293 1.426 30 10 HDEE C=CCOCCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1219367354 YRVXUYRVONDVBF-UHFFFAOYSA-N 411.524 1.984 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)Cc1csc([C@@H]3CCS(=O)(=O)C3)n1)CC(=O)N2 1275006852 BCTVGANOSDSHAY-GFCCVEGCSA-N 416.484 1.445 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cn(CCCCC)nc1C)[C@@H]1CCS(=O)(=O)C1 1286385149 URZNCSSDDSGVHY-LJQANCHMSA-N 418.567 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(C)(=O)=O 1286419016 VNCARYBGDADCHY-UHFFFAOYSA-N 422.514 1.843 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC[C@H](C)C1 1286464647 DASUUVWABKBXCC-BZSNNMDCSA-N 402.543 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC1CCC(OC)CC1 1286464929 HDRVRJOJCOKEDX-ABHNRTSZSA-N 403.527 1.911 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C)c(C)s2)CC1 1286469147 ASPKTTSLPOLVLW-UHFFFAOYSA-N 401.540 1.293 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](OC)C(C)C)CC1 1286485445 MCASQEBURSFMCD-KRWDZBQOSA-N 418.542 1.053 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N(C)CCS(C)(=O)=O 1286532359 BXDZTLHSAPNHIT-UHFFFAOYSA-N 402.318 1.673 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C(C)C)C2)nnc1[C@]1(OC(C)C)CCOC1 1286794126 XLJLQISZEIFXNA-UTKZUKDTSA-N 421.542 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)O[C@H](COC)C1 1286816478 LSXFQBOMULERTP-HOTGVXAUSA-N 424.523 1.687 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)C1 1288976745 DFLWLLWRLWVTAF-JXXFODFXSA-N 402.499 1.555 30 10 HDEE CNC(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1299249538 BZWFTDAIWCUBRS-GOSISDBHSA-N 423.521 1.506 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(C3CCC3)nnc2N2CCO[C@H](C#N)C2)c1 1299291590 COLNLCJNYBAVIR-MRXNPFEDSA-N 416.507 1.231 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300295980 PRBRHICOISNDKA-MJGOQNOKSA-N 411.554 1.684 30 10 HDEE CN(C)C(=O)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1300337474 KVZPSWBHLSIXIH-UHFFFAOYSA-N 420.311 1.583 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300408922 OLJYZDMFLDGVAO-HZPDHXFCSA-N 412.498 1.465 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1300537658 IBBSUOGLHLORAE-OAHLLOKOSA-N 404.442 1.580 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1300559213 LVADCIFCJCCNDH-AUSIDOKSSA-N 422.533 1.852 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](OCC)c2ccccc2)CC1 1300698616 WGERUQMVZYWXNJ-UXHICEINSA-N 422.533 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N(C)C)CC1 1300726743 PAMLRFPPSQEZJQ-KRWDZBQOSA-N 409.538 1.180 30 10 HDEE COCCOCCN(CCO)C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1300827677 BQHIUDDJSMBMDH-HNNXBMFYSA-N 409.870 1.048 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1301041503 LWYNLQUCHDEJRV-IRXDYDNUSA-N 422.961 1.667 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1301305066 PFLRFJLKZAADRM-UHFFFAOYSA-N 403.508 1.475 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1301491311 PALNPYHBOYPECW-INIZCTEOSA-N 421.509 1.471 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC2(CC1)COC(=O)N2 1301509598 JMNSWQWCTMJNKE-UHFFFAOYSA-N 424.505 1.444 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1301584455 ANAYMRCLGCPILU-DLBZAZTESA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1301594612 HPDNGGGMPFHYGL-UHFFFAOYSA-N 410.544 1.614 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCCS2(=O)=O)CC1 1303011848 UFYPJARRBMWUNR-QGZVFWFLSA-N 422.555 1.338 30 10 HDEE C[C@@]1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1303991737 NWOHVCFJIDPRLY-FXAWDEMLSA-N 401.442 1.542 30 10 HDEE CN(C)S(=O)(=O)CCN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1308124302 KYECLWUGVKGYEK-HTQZYQBOSA-N 404.323 1.981 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1309733747 ULMWIYDZUHJHTD-HNNXBMFYSA-N 400.522 1.178 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1)C(C)C 1312807980 IZBDQZGXDHELOP-INIZCTEOSA-N 403.479 1.838 30 10 HDEE CCOCCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1314484967 RUOMVOIYNGIDKC-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(=O)C2CCC2)CC1=O 1314926544 MFSMWKPIOVNPBS-UHFFFAOYSA-N 421.505 1.402 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1315158117 GIBGPMXPJMGYLL-VQIMIIECSA-N 424.505 1.679 30 10 HDEE C=CCN(C(=O)c1cncc2nc(C(F)(F)F)n(C)c12)[C@H]1CCS(=O)(=O)C1 1352905550 RDICAZROPJBIRZ-JTQLQIEISA-N 402.398 1.802 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccn(CC)c1=O 1358886815 KZGOEFOSSBFSDM-CQSZACIVSA-N 408.462 1.694 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCCOC)C1 1359081409 AFKZLNHMVLZWCK-ZDUSSCGKSA-N 409.288 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@H](C)C#N 1359293657 WHXKXQFTMGTCFD-LLVKDONJSA-N 406.288 1.934 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1359332075 OKQIRNYOHHLRQI-FQEVSTJZSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](c2ccnn2C)C1 1359335415 LCOZBNVNCXOBLQ-INIZCTEOSA-N 422.555 1.533 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N(CC#N)CCC(=O)OC)ccc1Cl 1438601785 LWJQOOKEXDMLFF-UHFFFAOYSA-N 415.899 1.899 30 10 HDEE C#CCN1CCCN(C(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CC1 1444335637 BAKJGMMOYJZQOT-MDZDMXLPSA-N 410.518 1.068 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2Cc3cc(F)ccc3NC2=O)[C@H](C#N)C1 1445369394 JREBJZGBNGKYFL-CABCVRRESA-N 402.426 1.908 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C[C@@H]2COCCO2)C(F)(F)F)n1 1448864118 ZIOVMGLQUOLSNQ-CVEARBPZSA-N 403.401 1.475 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C/C=C/c2ccc(Br)cc2)CC1 1449088895 QGECGOWTCOABCB-ONEGZZNKSA-N 404.308 1.746 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1449204192 LMVHZQMDFLKWJR-UHFFFAOYSA-N 419.890 1.379 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1453303372 JGTGRONSJUBGEQ-HNNXBMFYSA-N 407.492 1.669 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nc(C(N)=O)cs3)C2)C1 1453582566 OJDXMWXZMLSUAX-WZEQGRABSA-N 419.507 1.645 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 1459305775 CSBVIIXEZZAJNX-OAHLLOKOSA-N 416.459 1.726 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1462987134 CBOOGMDVBGDHPC-HZMBPMFUSA-N 414.237 1.368 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br)C(=O)OC 1463854743 PLFKEAIZGWKSBL-SNVBAGLBSA-N 422.228 1.218 30 10 HDEE C#CCN(CC(=O)N1CCN(CCCOCC(F)(F)F)CC1)C(=O)OC(C)(C)C 1464504032 UGIQNLADLSNNOQ-UHFFFAOYSA-N 421.460 1.970 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCCO2)s1 1467914332 AICBVUMBPPFBBK-HUUCEWRRSA-N 400.522 1.161 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)Cc1ccc(Br)cc1C#N 1468178649 MHBHCISQQCVSHX-AWEZNQCLSA-N 412.284 1.865 30 10 HDEE COC(=O)[C@]1(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC[C@H](C)CC1 1469941939 AWLHKUNZFIBGSB-ARGWCVDVSA-N 421.519 1.742 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1471984097 OPZXQGSWIZIMTQ-CQSZACIVSA-N 419.532 1.982 30 10 HDEE C=CC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1472262450 YZKWSBXCUYPLAW-AWEZNQCLSA-N 410.492 1.515 30 10 HDEE C=CCN(C(=O)Nc1ccc(CS(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 1476749822 NLEWUSWQBLRUCV-INIZCTEOSA-N 400.522 1.828 30 10 HDEE CCOCc1nnc(N(C)Cc2ccco2)n1CCN/C(O)=C1/N=CC=CC1=O 1503018984 ZZDDRJMIDCEBQU-ZCXUNETKSA-N 400.439 1.570 30 10 HDEE CN(C)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1503389462 DBTKHFWMTULXQO-HXUWFJFHSA-N 413.501 1.817 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1COCCO1 1504884734 ATOVYMOITTYTCE-HNNXBMFYSA-N 406.874 1.775 30 10 HDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CCN(C)CC1 1505195336 DOXNLVVGJNNVGQ-MRXNPFEDSA-N 419.599 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCCS(C)(=O)=O 1507541991 OLGBZWOAYOYLHI-MRXNPFEDSA-N 404.536 1.965 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1507630552 BXKVDTCPPQKZGO-CYBMUJFWSA-N 417.520 1.108 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1ccc(-n2cncn2)nc1 1507671598 LTSFELHQNXSUIG-UHFFFAOYSA-N 423.484 1.751 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1507688917 FNRSSGXUFYIQHJ-HOTGVXAUSA-N 408.524 1.183 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1508088995 AAENIWPWAYJSMG-UHFFFAOYSA-N 422.489 1.814 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098872 SATZPSZUPFPSAT-UZLBHIALSA-N 423.583 1.953 30 10 HDEE C=CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1508152993 FOGQNXFYROSZAH-KRWDZBQOSA-N 417.535 1.824 30 10 HDEE CC(C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1508715434 NPPKNBRGLYKNIO-NEPJUHHUSA-N 421.445 1.497 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1510295958 UTYACTBZCWUNEC-KRWDZBQOSA-N 415.542 1.472 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1 1519806324 WXVVLFQSMQCCAQ-MRXNPFEDSA-N 418.453 2.000 30 10 HDEE N#CC1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCSCC1 1526033170 XMNYLVZZWNECDJ-QGZVFWFLSA-N 416.547 1.665 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)C(N)=O)CC2=O)cc1Cl 1526828676 DKOLUNMRQIQFJA-YJBOKZPZSA-N 410.861 1.777 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCS(=O)(=O)CC(F)(F)F)CC2=O)cc1 1538440098 OKGVWAAVCWALDE-LBPRGKRZSA-N 403.382 1.004 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1539149741 ZUBLNTDCGVEEGQ-INIZCTEOSA-N 403.405 1.067 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539202737 KPYUQXBDSQMSAU-INIZCTEOSA-N 404.540 1.407 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1539219456 COKVOWCPSSFGMB-ROUUACIJSA-N 424.567 1.616 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)Cc1ccccc1 1539272818 CLGZINBDJTZHAH-UHFFFAOYSA-N 418.501 1.132 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(OC)c1 1539340174 IJDYFGJSVGMOPI-UHFFFAOYSA-N 412.494 1.314 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@@H](C)C1 1539512521 DRUUZDRMCIHHAN-KRWDZBQOSA-N 402.568 1.807 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 1539918958 UVSOHCATCXEFPT-MRXNPFEDSA-N 411.510 1.488 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1539946740 CXIUAYUYGLBMAE-UHFFFAOYSA-N 403.531 1.767 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc(Cl)c2N2CCOCC2)c(=O)nc1O 1540640555 GYZFJWKOTNCZPM-UHFFFAOYSA-N 403.826 1.339 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1541112487 HWJWNLXNMYRHKM-SUMWQHHRSA-N 407.478 1.159 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 1545493673 HKPFOGPKZFFSQE-INIZCTEOSA-N 417.510 1.506 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(Cl)nc1 1555753000 JPBLUUFROWXOBY-ZOBUZTSGSA-N 418.885 1.828 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)cc1 1557316894 QBERGOBEOJFTME-MSOLQXFVSA-N 407.536 1.380 30 10 HDEE C#CCN(C[C@H](O)COc1cn(-c2ccccc2)nc1C(=O)OC)C1CSC1 1559985827 BSSVAUXFKAMUBM-KRWDZBQOSA-N 401.488 1.449 30 10 HDEE CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560168471 MJXINWVWEHSNLS-VQZRKKFQSA-N 415.471 1.833 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1564690126 OQCCPJYJGWTIFB-GVDBMIGSSA-N 410.434 1.180 30 10 HDEE CCn1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)nc1=O 1565492916 KLINMBQIYUFFLY-UHFFFAOYSA-N 415.425 1.733 30 10 HDEE COC[C@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(N)=O 1566478952 XBNJCROEKCLYHV-JKSUJKDBSA-N 402.451 1.009 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@H](C#N)Cc3ccc(C#N)cc3)C2=O)cc1 1568689914 NTYPDRFOZDXCJB-KSFYIVLOSA-N 417.425 1.748 30 10 HDEE CC[C@H](CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1570703214 LLWFUGOGAYKXEI-UKRRQHHQSA-N 409.508 1.455 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(F)cc2C)CC1 1585000287 VMMBLXNPJXXVMH-UHFFFAOYSA-N 410.287 1.794 30 10 HDEE Cc1cc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)ccc1F 1585660507 MZIUHPKMSGNRLR-IFXJQAMLSA-N 418.450 1.514 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](OC)C[C@]3(C)C(=O)OC)ccc2c1=O 1587053270 AKJVOCFDCBOXCT-RNODOKPDSA-N 417.487 1.664 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1587620506 GPTJMCGNZHNQBP-SPLOXXLWSA-N 408.462 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1 1587656890 MVOWTBZKWQKEPL-WBVHZDCISA-N 401.536 1.883 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC1(OCCOC)CCOCC1 1588012124 XMPMZLUYKZZQPZ-UHFFFAOYSA-N 416.526 1.421 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC[C@H](CO)O1 1588159593 ZMAUZGDBYPRSLP-VQTJNVASSA-N 403.486 1.894 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588262766 KZAMMKLPLHLMLV-LAUBAEHRSA-N 403.527 1.994 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(C)CN(C)C2=O)CC1 1588930119 NXOYPFHYPFCQPC-QFIPXVFZSA-N 412.538 1.380 30 10 HDEE C#CCSCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCNC(=O)C1 1588984121 GEHZUBZGDFHERA-AWEZNQCLSA-N 403.483 1.860 30 10 HDEE C#CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589125762 QIUPRULGNYXSNM-JXFKEZNVSA-N 421.567 1.352 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595838479 UOWNMSKADLXYPN-UONOGXRCSA-N 407.496 1.547 30 10 HDEE C=CCCC[C@@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OC 1596245255 WWVDIXBOJYMGNK-MRVPVSSYSA-N 424.093 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C#N)C1 1596359108 UOYWYXGAHCAFSS-QBPKDAKJSA-N 404.511 1.900 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1597332859 VLDBISTWKKUKPW-UHFFFAOYSA-N 407.492 1.699 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccccc2)n1 1612502405 HGFOGOYZKASSIJ-KNQAVFIVSA-N 421.505 1.776 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(N(C)[C@@H]3CCC[C@@H]3C#N)c([N+](=O)[O-])c2)CC1 1612730954 KIXKRAYMSBWQQI-GDBMZVCRSA-N 407.496 1.659 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1619511204 UZXBUIRYYZSKRS-NZKCYVOASA-N 402.499 1.789 30 10 HDEE COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1619846771 AVKZWTZYDMPMEW-MSOLQXFVSA-N 410.478 1.715 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1620560759 DDPKKAFTIGEUCE-OAHLLOKOSA-N 417.453 1.044 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=C)Cl)C(=O)OCC)c1 1622450414 QLQBATJZERLTLN-HNNXBMFYSA-N 400.884 1.955 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1623172132 ZNUWIKFSAVMQCY-HXUWFJFHSA-N 405.426 1.319 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2ccc(I)cc2N)nc1 1624216593 GEBZUWLXLYJILC-UHFFFAOYSA-N 407.215 1.982 30 10 HDEE C=CCC[C@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C(=O)OCC 1624304417 VTJBSPRQYGONCR-ZDUSSCGKSA-N 416.521 1.397 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C(C)C)N1CCC(C)CC1)c1cc[nH]n1 1624494257 IVLQIQBHIXZKNK-QGZVFWFLSA-N 407.515 1.566 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1628903715 MPRRDSNEBVWKTR-AUUYWEPGSA-N 401.488 1.903 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1629889153 MCDKJXKFXBEECE-ZWKOTPCHSA-N 417.531 1.684 30 10 HDEE Cc1nc2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)ccc2n1-c1ccccc1 1630030399 GHCNRYAUKIEZIR-UHFFFAOYSA-N 414.425 1.898 30 10 HDEE CN(C)C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2O1 1630550990 CRROSWIBVUXLEC-INIZCTEOSA-N 414.487 1.192 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CC(=O)N(c3cccc(S(N)(=O)=O)c3)C1)C2 1631130768 ZPLXFQGUKCYCQV-MRXNPFEDSA-N 410.455 1.101 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN[C@H](c4cnn(C)c4)C3)ccc2c1=O 1631437185 CJQPHZQTHNPPEO-KRWDZBQOSA-N 410.503 1.391 30 10 HDEE C#CCOc1ccccc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 1633212561 DWTXLPZIPNDWOQ-UHFFFAOYSA-N 422.484 1.019 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(N)=O)[C@H](C)c2ccccc2)s1 1635879693 IMOLHHZPNARAGP-CQSZACIVSA-N 421.544 1.830 30 10 HDEE NC(=O)CC[C@@H](NC(=O)CCC1CCCC1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636303944 DAZWCYXRMLLBFD-GOSISDBHSA-N 419.522 1.571 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1636699185 DOYYFTRYKMOGTC-GJZGRUSLSA-N 408.476 1.067 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H]2[C@@H](C(=O)OC)C2(F)F)ccc1F 1636956570 LCGAWGKWMNCNIS-GWCFXTLKSA-N 406.382 1.074 30 10 HDEE C[C@H](c1cccc(C#N)c1)N(C)C(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1638626239 GODJCUZKLIBJRM-CYBMUJFWSA-N 402.432 1.964 30 10 HDEE N#C[C@@]1(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CCc2ccccc2C1 1638848478 SOLVIHINNWXJRZ-PGRDOPGGSA-N 408.433 1.367 30 10 HDEE CNS(=O)(=O)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1639782444 IBIRMMXPSUOUTJ-WDSKDSINSA-N 404.279 1.165 30 10 HDEE CN(CCOCCN(C)C(=O)OC(C)(C)C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1641600754 MGGHIOBUKXPSGO-ZCXUNETKSA-N 424.498 1.245 30 10 HDEE CC(C)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1(O)CCCC1 1642838679 GPCOVEURODIRLN-UHFFFAOYSA-N 407.536 1.953 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NOc2cccc(C#N)c2)C1 1643517776 GOFBDZVDAXBFDV-OAHLLOKOSA-N 403.464 1.409 30 10 HDEE COC(=O)C[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1648384832 JIJVRCUJTJVGSL-QGZVFWFLSA-N 415.471 1.127 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCOC2(CCS(=O)(=O)CC2)C1 1648630877 BFTNCNDRNRRGFB-MRXNPFEDSA-N 412.577 1.931 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1648941595 GDIUXHRYKAUCLE-QUCCMNQESA-N 402.470 1.226 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3C[C@@H](COC)C3)nnc12 1651203976 PQBWENCOQSZJFP-OKILXGFUSA-N 413.503 1.864 30 10 HDEE COCCN(CCC(=O)OC)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1652476031 HAZZVXRXBQNKGU-IBGZPJMESA-N 420.485 1.046 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 1653396774 MHQNJQVMKRJTEM-SONOPUAISA-N 419.547 1.939 30 10 HDEE COc1ccc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(Br)c1OC 1654974672 GOLJAOCZNCRAOU-BLLLJJGKSA-N 415.309 1.836 30 10 HDEE CCOC(=O)[C@H]1c2ccoc2CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1659425654 WXFVISNTBJQABB-YLJYHZDGSA-N 402.495 1.434 30 10 HDEE C#C[C@@H]1CCCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1661617673 YONGYVFUTOIERW-JKSUJKDBSA-N 401.463 1.872 30 10 HDEE COCCN(CC(=O)OC)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1662128189 GYRJHGRMKQVLCZ-UHFFFAOYSA-N 409.233 1.270 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)nn1 1664907135 NTXORYAVLNQUCE-UHFFFAOYSA-N 404.901 1.390 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(CCNC(C)=O)cc1)C(=O)OCC 1664947500 ODHZVMCPTPMOFO-INIZCTEOSA-N 402.900 1.718 30 10 HDEE C=CCc1cc(CNC(=O)NC[C@]2(OC)CCS(=O)(=O)C2)cc(OC)c1OC 1667710910 BJPHLXOZTCOMPZ-LJQANCHMSA-N 412.508 1.435 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1668812682 LCHDTHGMCPZKKN-AWEZNQCLSA-N 406.426 1.350 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 1671556901 FBGILLSDUAYIJI-SJORKVTESA-N 400.541 1.985 30 10 HDEE C=C1CCN(C(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 1672505949 RJGUVEOHZKPBRF-OAHLLOKOSA-N 413.521 1.336 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](n3cccn3)C(F)(F)F)C2=O)cc1 1680779422 XMLQGXUUANXQKC-HOTGVXAUSA-N 420.395 1.958 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1684465055 RMUQGICLCISNBO-FQEVSTJZSA-N 421.505 1.081 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)CN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1684908638 JXNHUGHNRXKGSA-GOSISDBHSA-N 422.570 1.999 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1685717289 HWIBQXPWSFTTGM-IBGZPJMESA-N 416.503 1.513 30 10 HDEE CN(CCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1cccs1 1685787080 LSDADGPKWPGUGM-INIZCTEOSA-N 404.517 1.707 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(Cn3cnnc3)CC2)[C@H](C#N)C1 1686054505 AAMVXDNZUDCCAZ-HZPDHXFCSA-N 403.487 1.459 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCN(c2ncc(I)cn2)CC1 1686921052 AEIWLVXGAIZCHB-ZDUSSCGKSA-N 413.263 1.715 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1689826858 VVNCSOWDXVFZHJ-JKSUJKDBSA-N 417.535 1.959 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1689988482 PWUCHHPXTLKFMT-MRXNPFEDSA-N 400.508 1.718 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1689991832 DFPXRAJUOQGIEO-HNNXBMFYSA-N 407.565 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCNC(=O)c1cccc(OC)c1 1690011863 GXKANLAJFMQICL-UHFFFAOYSA-N 402.458 1.785 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCCn1cc(CO)nn1 1690049811 IPUXLJUATKGRLC-UHFFFAOYSA-N 417.517 1.814 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCc2nccn2C1 1690052828 QZAFVIRCCKTYDD-SFHVURJKSA-N 405.506 1.323 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](CC)OC)CC1 1690132868 ZHIINFLVAVCXTO-IBGZPJMESA-N 408.506 1.909 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1690148337 CYTIEIRFHRAIAV-IBGZPJMESA-N 416.570 1.163 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690509982 OYVQYPJYUBBDPU-OAQYLSRUSA-N 412.494 1.888 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1690524930 XYMNOQXDCFGWIZ-MRXNPFEDSA-N 403.508 1.444 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCn1cc([C@@H]2CCOC2)cn1 1692498980 BVFFRHMMCFSYDX-JKSUJKDBSA-N 414.514 1.555 30 10 HDEE C[C@@H]1CCCN(CCCCn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)C1 1693685217 HXQFDOWIUZSAAG-QZTJIDSGSA-N 410.526 1.976 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1696045665 GFLRNAZGTXDIHS-IERDGZPVSA-N 416.526 1.585 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1COc2ccccc2O1 1698060887 MCJDLXFHZZJGMX-QGZVFWFLSA-N 423.477 1.885 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1698443445 MEGYGXUIGZTWQF-BZUAXINKSA-N 407.540 1.735 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCS(C)(=O)=O 1705481443 GNOCBMUSNPTZCA-AWEZNQCLSA-N 424.548 1.241 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1705491279 AKZILDHZZUMANM-HOTGVXAUSA-N 418.542 1.987 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC(C)(C)C1 1705605316 HSRUKQAAXAIUMW-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCOCC(C)C)CC1 1705647791 KJCAKLUSEYFMTJ-LJQANCHMSA-N 417.554 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCCCC2)CC1 1705648275 VAYPPBAKLWWYCF-UHFFFAOYSA-N 422.537 1.187 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1705662424 YKRYGRHIGLBUNF-LTIDMASMSA-N 424.592 1.408 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1705875848 HVVYFGLILIPEKE-INIZCTEOSA-N 409.556 1.980 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OC)c(F)c1 1705901645 RUODCWPGRLWHBU-HNNXBMFYSA-N 416.457 1.316 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1705925015 JLVADMKJNVCIIT-HZPDHXFCSA-N 413.544 1.240 30 10 HDEE CC(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1706449468 CUFYDAIBHCFMLE-SFHVURJKSA-N 421.505 1.400 30 10 HDEE CCn1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)cn1 1710189254 FVHZIDLDEANKKE-YLJYHZDGSA-N 415.498 1.312 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722294391 GYGFZMVVXZQLAB-CABCVRRESA-N 417.539 1.004 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1722399927 VNKBOPGHWHEQCK-UHFFFAOYSA-N 420.561 1.962 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722506740 VZJBJWOKKWQLLR-PKOBYXMFSA-N 423.583 1.684 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722527703 RBFWSPXNGQPZDW-LAUBAEHRSA-N 419.526 1.491 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](NC(C)=O)C1 1722550057 FKPGGANFMLTMPU-CYBMUJFWSA-N 406.874 1.863 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1722626490 CZDUDULORXDPTC-OAHLLOKOSA-N 406.487 1.100 30 10 HDEE CNC(=O)CCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1729710343 JMJHSQTYVXUDPL-HTXNQAPBSA-N 415.498 1.034 30 10 HDEE COCC1=CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1730525462 IAWPFVGRHNOBKD-ISLYRVAYSA-N 414.510 1.885 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1730844690 SXIRBAXMSRKKLI-GQIGUUNPSA-N 417.489 1.903 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)cc1 1731183350 OWGHJLPVDDPUQT-QGZVFWFLSA-N 405.462 1.747 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1740600931 PYWKFGNFJTYNAB-AWEZNQCLSA-N 422.580 1.078 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](CC(C)C)N(C)C)CC1 1740697635 AWBPISDIWXCAQN-NRFANRHFSA-N 409.582 1.995 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740728882 QNMFQZOEOFCFTC-DNVCBOLYSA-N 402.524 1.547 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740753812 OMJKKSRCKDSPEM-AZUAARDMSA-N 404.559 1.558 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1740801757 FZZIGLFKQBRJSJ-ZIAGYGMSSA-N 417.963 1.772 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@H](C(=O)OC)C1 1740964246 MEANPQOVXWECAV-AWEZNQCLSA-N 417.441 1.298 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740992728 TUSXYLRJXWEIBP-CQSZACIVSA-N 418.585 1.091 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)NC(C)C)cs1 1742590751 BGJQUHXASBMBDC-HNNXBMFYSA-N 403.512 1.277 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1746507803 HMLQRDGDOGDYFQ-QZTJIDSGSA-N 410.478 1.656 30 10 HDEE C#CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCS(=O)(=O)CC1 1748757440 BZCJIUVWICNDOW-UHFFFAOYSA-N 402.520 1.720 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(C)=O)[C@H]1CCS(=O)(=O)C1 1748815679 SWJMGOXOTZWQCT-KRWDZBQOSA-N 407.540 1.089 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC2(OCCOC)CCOCC2)CC1 1748993885 PTDQNTDVJAZAKJ-UHFFFAOYSA-N 417.554 1.198 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1749223680 XEFCPPVYJQNHBR-KRWDZBQOSA-N 403.531 1.428 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1749235583 UXHRRNXGMGCXCU-IRXDYDNUSA-N 407.515 1.233 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1749291859 KCINYJNJQFJOGR-NRFANRHFSA-N 419.526 1.369 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C)C(=O)[C@H]3C)n2Cc2ccc(C#N)o2)cs1 1751780980 IXAATWAENKFXGP-GFCCVEGCSA-N 411.491 1.814 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(F)(F)CO1 1752269892 BCOWUXGVXVJDRL-XJKSGUPXSA-N 416.432 1.908 30 10 HDEE C#CCN(C)c1nnc(CCc2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760176923 WJEXTHNWIYOJBC-GOSISDBHSA-N 401.536 1.414 30 10 HDEE C#CCN(c1nnc(C)n1CCN1CCc2ccccc2C1)[C@@H]1CCS(=O)(=O)C1 1760180213 AJLFHZPPWYRWJE-HXUWFJFHSA-N 413.547 1.272 30 10 HDEE C#CCN(CC#CC)c1nnc(C2(c3ccccc3)CCC2)n1Cc1nnn(C)n1 1760212178 RGNDANJIBIXBRI-UHFFFAOYSA-N 400.490 1.783 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCCN2CCC(O)CC2)CC1 1760258281 JSXUNMNWDWUPJA-UHFFFAOYSA-N 422.577 1.856 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760279028 OTCAGWGZGNMVQA-LSDHHAIUSA-N 407.565 1.964 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760345927 ZKOASDXUIKFJBW-SFHVURJKSA-N 402.543 1.493 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1760459989 NGLPXGFLNMGKCJ-LJQANCHMSA-N 422.507 1.134 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760522427 SUFJZJJWYLAGBK-IIBYNOLFSA-N 405.543 1.943 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2C[C@@H]2C[C@H](F)CN2Cc2nccn2C)C1 1760542763 JYWNMYUJDHBZCR-BZSNNMDCSA-N 417.533 1.968 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCO[C@@H]2CCOC2)C1 1760544942 KIKAVYLIOWKFDU-ZWKOTPCHSA-N 402.499 1.656 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@@H](CCC)C1 1760553569 FLMUSUZTCYNQLO-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762452044 VLLDSSXDLHPIFJ-MVZUJROASA-N 424.509 1.655 30 10 HDEE CCc1nnc(N2CCC[C@@H](n3cc(C)cn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763042873 LVVSVTKDHPTJNS-ZBBYCGENSA-N 424.509 1.713 30 10 HDEE CCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)cn1 1765325349 FPYQPTRZKKEXST-UHFFFAOYSA-N 413.507 1.562 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1767187606 IWTLYJIESJYORG-IAGOWNOFSA-N 415.542 1.468 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OC)nc1 1771111991 CHRKSHAURUERKV-QGZVFWFLSA-N 400.483 1.990 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCO[C@H](C)C1 1771305277 YHQPANSHLDBDGT-SFFUCWETSA-N 405.499 1.546 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1771320387 LWODMLHMLBWKTB-UHFFFAOYSA-N 405.480 1.551 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccncc2)nnc1N1CC=CCC1 1771564904 YSXSSBRMIULIOX-FMQUCBEESA-N 405.462 1.557 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772787278 CLRHPHDJJKWEJA-AWEZNQCLSA-N 417.418 1.257 30 10 HDEE O=C(CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O)ON1C(=O)c2ccccc2C1=O 1772791676 WZQCALDUOPIUGN-JOCHJYFZSA-N 419.393 1.524 30 10 HDEE C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)/C(CO)=N\O 1848439047 BVBBLSHJIAJHSQ-ZAMZXHOASA-N 406.479 1.051 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)NCCS(=O)(=O)N1CCc2ccccc2C1 1853141005 AHPOKWXFGWQBAP-UHFFFAOYSA-N 410.499 1.949 30 10 HDEE COCC(=NOCc1ccccc1F)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853466677 JRGJDZDDWAAMDX-UHFFFAOYSA-N 407.423 1.775 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(OC)cc2)C1=O 1853827447 CLNLSCJTTOCYRE-RTBURBONSA-N 415.490 1.310 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1F 1854401371 MQJGVJMGAVJTRP-OAHLLOKOSA-N 420.418 1.796 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCc3ccccc32)C(=O)C12CCCC2 1854428659 FBVICXNQIVKLJV-SFHVURJKSA-N 415.515 1.943 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CCOCC2)CCN1S(=O)(=O)c1ccccc1C#N 1854458624 YZNVUACRKLZTBQ-UHFFFAOYSA-N 405.476 1.123 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)C(=O)[C@@H]1C 1854735880 RXAMDCURILQBAL-HOTGVXAUSA-N 413.474 1.446 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@@H]1C 1854736497 YQURUQAWASWOES-LSDHHAIUSA-N 416.547 1.794 30 10 HDEE N#Cc1ccc(CC(=O)N2CC[C@@H](N3CCN(Cc4ccccn4)CC3)C2=O)cc1 1855641657 RXYYKVMAZCOATL-OAQYLSRUSA-N 403.486 1.441 30 10 HDEE CCCC[C@@H](F)C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855838222 KQUCTEDEBKITHC-FUHWJXTLSA-N 401.486 1.979 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c(C)c1 1856652934 IZEVAZUNYKJDGV-QGZVFWFLSA-N 405.476 1.830 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CCn3nccn3)C3(CCCCC3)C2=O)cc1 1856700890 SUDUUBZQKCLIQC-UHFFFAOYSA-N 406.490 1.766 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)C(=O)C1(C)C 1856720677 XKLQLQCOOJWTST-HOTGVXAUSA-N 422.526 1.764 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112263 VBQSDKVINXZVAM-KXBFYZLASA-N 406.442 1.611 30 10 HDEE CC(C)=CC(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127241 KGKYITIUEZDOFU-GOSISDBHSA-N 400.523 1.802 30 10 HDEE CC(=O)[C@@H](C)N1CC[C@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1857138942 QXGORXURSGLIRR-PBHICJAKSA-N 416.909 1.742 30 10 HDEE Cn1nccc1C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CCC1=O 1857256099 YBKQJNANTRIMSJ-INIZCTEOSA-N 406.490 1.945 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)c(OC)c1 1857969748 PVUZCXYYWYDKLQ-UHFFFAOYSA-N 403.464 1.185 30 10 HDEE C=CCNC(=O)[C@H](CC(N)=O)NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206819 WIKMXQQXGORKGK-RDJZCZTQSA-N 406.914 1.214 30 10 HDEE COc1cccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)c1 1862556881 GXBRAMZKXKVXGU-LJQANCHMSA-N 409.442 1.992 30 10 HDEE C=CCNC1=C(c2ccc(OC)c(OC)c2)C(=O)N(CCCN2CCOCC2)C1=O 1863521614 OBTJJUDLUVFIFY-UHFFFAOYSA-N 415.490 1.282 30 10 HDEE Cc1nnc([C@@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccccc2C#N)c2ccccc2)o1 1867029812 AYQNWRPGVFIROO-HKUYNNGSSA-N 419.441 1.888 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN(CCO)CCCC 1870537857 SBKUEAIAQUSMDH-UHFFFAOYSA-N 417.506 1.917 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)CC1=O 1872917574 FHXFIZZKFCOZIS-GOSISDBHSA-N 401.482 1.758 30 10 HDEE N#Cc1cncc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882836931 VBPZLMOEFQXXHA-QGZVFWFLSA-N 417.443 1.638 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCC2(N3CCSCC3)CCOCC2)cs1 1889786402 RRCDEWZJWJKIET-UHFFFAOYSA-N 410.565 1.387 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2118163779 NRTFXIVEEBRNIG-RUZDIDTESA-N 406.530 1.184 30 10 HDEE CN(C[C@@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)s1 2118171352 QYCWQLIKKKTQCK-GFCCVEGCSA-N 401.510 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@H](F)CNS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174776905 BOSBGLKLXCHSMD-HIFRSBDPSA-N 404.508 1.651 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N(C1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCOC1 2174782352 PNPCBJWGQZHHKU-GJZGRUSLSA-N 401.529 1.822 30 10 HDEE C=CC1(NS(=O)(=O)N2CCC(CC(=O)O)CC2)CN(C(=O)OC(C)(C)C)C1 2196121589 DLBYIOUFRKEKLM-UHFFFAOYSA-N 403.501 1.183 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)CC2(C#N)CCCC2)s[nH]1 2238234071 YAZYQSXXPMQXMZ-UHFFFAOYSA-N 415.541 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]1CCO 2243430466 RMNMLRLRTAZNJS-HNNXBMFYSA-N 408.304 1.452 30 10 HDEE C[C@H](C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2245258718 KIMBAZILYAJZLC-ATWMFIQVSA-N 409.336 1.888 30 10 HDEE C=CC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247814065 NSFHLSQAKHSHTL-UHFFFAOYSA-N 418.303 1.614 30 10 HDEE Cc1nn(C)c(C(=O)NCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247826053 NEBWHVBSMNQZEW-UHFFFAOYSA-N 422.335 1.672 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2247840135 IFNXQHRMPKPBIK-KRWDZBQOSA-N 410.327 1.961 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247860738 AITDCJNYHXBPEC-KGLIPLIRSA-N 422.287 1.601 30 10 HDEE Cn1ncc(C(=O)N2CC=CCN2C(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915908 LYBDUENVXBWGHT-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE CC(C)(CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248056506 RJAKOSJIUKSUGO-UHFFFAOYSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CCS(=O)CC3)c2)OC1(C)C 2267416169 LQFDQPBDOPMJGY-UHFFFAOYSA-N 405.372 1.237 30 10 HDEE N#CCCN(CC1CCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270505738 KMQTWKYAEVTBKY-KRWDZBQOSA-N 423.491 1.712 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2(CCO)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282311086 CWYZYKRDZSNVKL-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312867 CLFWAKFFNWHUDH-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C[S@@](C)=O 2282322729 QDQFJMFFBRZWML-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE C[C@H](N)[C@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336571 FYDSLAUZXWOFTL-GXTWGEPZSA-N 400.375 1.938 30 10 HDEE CC1(C)C[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337624 INDPXDWWZPJAKZ-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@H](CO)C2)OC1(C)C 2282497418 PLTHQMJJAQBXQY-JSGCOSHPSA-N 401.359 1.628 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282502861 QPKWQMOQWKBCJQ-JSGCOSHPSA-N 401.359 1.580 30 10 HDEE COCC1(N)CC(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282646625 QMXHTLYHEKISCY-UHFFFAOYSA-N 400.737 1.937 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282654787 LYIPRCHPBDBLGE-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE CO[C@H]1C[C@H]1CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843312 LKLIGEADWGVGSG-AAEUAGOBSA-N 402.347 1.239 30 10 HDEE C=C(CS(=O)(=O)NC[C@@]1(C)CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282870466 SKCXFEHFTHVRBE-MRXNPFEDSA-N 407.363 1.308 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](F)C[C@@H]3C(=O)O)c2)OC1(C)C 2284399570 LXRCIGSWECXWBD-GHMZBOCLSA-N 405.278 1.233 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284400416 VYLITPQUZURLFR-CYBMUJFWSA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CC[C@@H]2C(=O)O)OC1(C)C 2284410262 AUMJJIWYKBPKDW-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE COC[C@H](CC(=O)O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2284430276 RKIPNBCAWRGCSF-VIFPVBQESA-N 403.693 1.920 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288914841 LROQDTDBKRYCRL-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC(C)(C)[C@@]1(NCCC#CBr)C(=O)O 2305979559 CIQDACBEBZLJCO-ZBEGNZNMSA-N 405.289 1.847 30 10 HDEE COC1(C#C[C@@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 2338302066 XDPAABRAPOTVMI-LJQANCHMSA-N 402.491 1.676 30 10 HDEE CC[C@]1(C)[C@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2361993830 YWKSTIMNUBEDSK-SJKOYZFVSA-N 401.359 1.971 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2367790724 WMXQUCIGVCDXGP-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCOC1 2367794542 IBKCYJWREYJHDM-QAPCUYQASA-N 401.525 1.640 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367814141 ANRKCRUWIJPTLH-OAGGEKHMSA-N 402.557 1.457 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)c1 20832635 XFBPLDSPMLZDGF-OMCISZLKSA-N 420.480 1.856 30 10 HDEE C[C@H](Oc1c(N)cc(C#N)cc1I)C(=O)N1CCOCC1 43415306 QFTNYVSPXRVRKE-VIFPVBQESA-N 401.204 1.371 30 10 HDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccc(OC)cc3)n[nH]2)cn1 59311890 SMGDNZWJOADELH-AWQFTUOYSA-N 414.495 1.884 30 10 HDEE Cc1cc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)ccc1-n1cnnn1 109887369 UGLTZKSEPWFXIY-GOSISDBHSA-N 419.470 1.996 30 10 HDEE COc1ccc(-c2nnc(N/N=C/c3cc([N+](=O)[O-])cc(OC)c3O)[nH]c2=O)cc1 169898887 GPSGEYVGCQPMGF-DJKKODMXSA-N 412.362 1.909 30 10 HDEE COc1ccc(C)cc1N1C(=NC(=O)CCC(=O)O)S[C@H]2CS(=O)(=O)C[C@@H]21 254866448 IRLJJDBCLKVADP-JSGCOSHPSA-N 412.489 1.470 30 10 HDEE C[C@@H](C(=O)Nc1ncn(Cc2ccc(Br)cc2)n1)n1cnc(C#N)n1 409603437 WDWLXDHHFPXNQW-JTQLQIEISA-N 401.228 1.752 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 437475179 BIQWDLUJLNBQLO-IKGGRYGDSA-N 411.524 1.790 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461306907 HUAMKEFOJLSKBX-UHFFFAOYSA-N 407.434 1.578 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 471767073 HFLWOXLMIMIXTE-UHFFFAOYSA-N 424.479 1.007 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N[C@@H]1CCN([C@H](C(=O)O)c2ccccc2)C1=O 473443715 MYKBDBHAQCGKIA-AEFFLSMTSA-N 413.455 1.572 30 10 HDEE COc1nc(N2CCN(C(=O)c3ccnc(C#N)c3)CC2)ncc1Br 476234836 JKEBIAYLPVZAQY-UHFFFAOYSA-N 403.240 1.477 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c(F)ccc(Br)c2F)CC1 492868232 DGOVQUXXSKZMGW-UHFFFAOYSA-N 402.239 1.787 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)[C@@H](C)C1 508798964 ZAFWLKPAZFMADP-HNNXBMFYSA-N 404.540 1.613 30 10 HDEE COC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 517204638 FQJWTYPWQLTQGL-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 544476668 GWVCOCPRQNDVKZ-GOSISDBHSA-N 401.529 1.426 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)N(C)CCOCc2ccc(C#N)cc2)c1=O 554754924 FRIWAWWEMZOLOQ-UHFFFAOYSA-N 412.446 1.964 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(O)c2)C1 564377972 KLJWPMORPBBLAI-CJNGLKHVSA-N 407.496 1.358 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(O)Cc4ccccc4C3)C2=O)cc1 572337984 FEFANODBZFNHRZ-FQEVSTJZSA-N 404.470 1.488 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(c3nnc4n3CCCC4)CC2)c(F)c1 586861920 DDGUJMNBDHVPFV-UHFFFAOYSA-N 410.453 1.648 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C(C)C)n(-c3cccc(F)c3)n2)CC1 605119905 BEEKWEHQROIZLP-UHFFFAOYSA-N 414.485 1.590 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 672076871 BSMUZNXHMMZSLZ-QGZVFWFLSA-N 418.519 1.933 30 10 HDEE N#C[C@H]1CNCCN1C(=O)c1ccc(I)c(Br)c1 721592965 IFPISBSTBVBWEU-VIFPVBQESA-N 420.048 1.991 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 728377492 NPENRVUWLKZCTP-UHFFFAOYSA-N 400.456 1.754 30 10 HDEE COC(=O)CSCc1cccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 732431731 DFYSSVSYPCDPKF-ISLYRVAYSA-N 418.475 1.741 30 10 HDEE C#CCN(C(=O)c1cn(-c2cccc(C(F)(F)F)c2)nn1)[C@H]1CCS(=O)(=O)C1 739700901 OIZDJKRWISFHTL-AWEZNQCLSA-N 412.393 1.549 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H]3CN3CCOCC3)ccc2c1=O 743727872 FSRGKVXJKZSRMM-MRXNPFEDSA-N 414.531 1.808 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 751728468 OXUXOFYWCZSDCI-UHFFFAOYSA-N 401.444 1.721 30 10 HDEE COC[C@](C)(CCO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 758226040 KJLQDQCQZOFRGR-SAGAUJLNSA-N 412.512 1.408 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3ccc(N4CCOCC4)cc3)CC2)n1 760913782 UKUIMQCVUCJINT-UHFFFAOYSA-N 406.490 1.551 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 763946520 XFVXJSBZFZACTA-UHFFFAOYSA-N 419.459 1.099 30 10 HDEE CCOc1cccc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 771300491 ZRXCXSMIMWESBY-UHFFFAOYSA-N 401.488 1.873 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OCc2ccnc(C#N)c2)C1=O 771620985 JVPNDADHSCNXFW-OAQYLSRUSA-N 408.414 1.781 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@H](c2cccc(OC)c2)C1)c1cc[nH]n1 772389020 QMDWKMNNCITNDN-KRWDZBQOSA-N 416.434 1.302 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 777294446 KUZRNFCCUICTJI-AWEZNQCLSA-N 419.484 1.880 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 779358616 XGLQSHUODVPZGK-RUIRWZRLSA-N 406.483 1.665 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1nnc(C2CCC2)n1C 783170128 IQHIMXYFUREETC-GFCCVEGCSA-N 403.464 1.364 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2ncn(-c3ccc(OC)nc3)c2=S)n1 788370832 ZUYBTZMVDVLCGC-UHFFFAOYSA-N 413.507 1.743 30 10 HDEE C=CC[C@]1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790253559 IKVDHIBGOHZEQW-HXUWFJFHSA-N 406.483 1.533 30 10 HDEE COC(=O)[C@H]1CCCC(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 794879185 HRYWFFHBOICNSC-AWEZNQCLSA-N 409.512 1.149 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CCF)C1=O 797808798 QNPGVTYBALFUEI-CQSZACIVSA-N 402.442 1.934 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCO[C@@H]1c1cnn(-c2ccccc2F)c1 803921317 INMJBXGZTBSJPR-KBXCAEBGSA-N 416.409 1.644 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 805792706 CKFCCNOHEFOGGV-QFIPXVFZSA-N 404.555 1.487 30 10 HDEE C#CCN(Cc1cc(OC)c(OCC(F)F)c(OC)c1)[C@H]1CCS(=O)(=O)C1 809551142 RFNVZBAQLRJKQI-AWEZNQCLSA-N 403.447 1.970 30 10 HDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C/c2nc(C#N)cs2)c1)S(C)(=O)=O 811689810 MJMKCDYUPQGURZ-VOTSOKGWSA-N 411.486 1.636 30 10 HDEE CCCCCNC(=O)[C@@H](C#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 916875052 QKFSCLNMHSCUTN-SFHVURJKSA-N 421.519 1.645 30 10 HDEE CC1=NNC(=O)[C@@H]1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1136653816 IUXZGWZPHRWFSV-LNWMTBOKSA-N 403.483 1.401 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NN3C(=O)c4ccccc4C3=O)CC2=O)cc1Cl 1138075770 UISZCMVVXLLLKH-GFCCVEGCSA-N 408.801 1.892 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H](CC(N)=O)c1ccccc1 1139919015 AXHNKARMDNFLPK-QGZVFWFLSA-N 403.435 1.812 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(F)n3)CC2)s1 1141260104 LPUPXQUVCZODGW-UHFFFAOYSA-N 424.523 1.638 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1ccccc1 1144130946 FTZGCMDXNCYUIO-CABCVRRESA-N 415.471 1.473 30 10 HDEE C=C[C@@H](C)ONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1144583575 SNLGLVRWWOCCFB-CQSZACIVSA-N 410.492 1.871 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4cnc(N)nc4C3)C2)C1 1147560068 VWIYCBPXLYTEAC-DBWCEAHUSA-N 412.494 1.730 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)s1 1155706900 LYEDBSRGPDQSEB-DEYYWGMASA-N 414.549 1.598 30 10 HDEE CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CC=CC1 1163848754 BGZSAPPFEQZTJL-QAPCUYQASA-N 405.520 1.695 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccnc(Br)c2)c1=O 1166615686 ZZJKRFUAYKTSOR-UHFFFAOYSA-N 421.251 1.429 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)[C@H]1CCN(CC(F)(F)F)C1)c1cc[nH]n1 1168457784 ZLOPIBWUULUDAK-LBPRGKRZSA-N 419.404 1.179 30 10 HDEE C[C@@H](CC(=O)NCc1nc(CN(C)C)cs1)/N=C1/NS(=O)(=O)c2ccccc21 1178083481 DRXHGYSQPARCHR-LBPRGKRZSA-N 421.548 1.338 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCOCC1 1195013636 JXOLLRPJELGUHF-UHFFFAOYSA-N 411.423 1.831 30 10 HDEE C=C[C@H](C)ONC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1197440748 OYFBUUPSFBBCBK-INIZCTEOSA-N 410.478 1.996 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCC)CCc2ccccc2)CC1 1228709565 KIABAAJGLPYZGO-LJQANCHMSA-N 406.552 1.583 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1)C(C)C 1229530476 CKEPYIDHFQNCKU-QGZVFWFLSA-N 406.508 1.352 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OC)cc1Br)[C@@H]1CCS(=O)(=O)C1 1264995578 LHNIDCNOEKULQO-LLVKDONJSA-N 416.293 1.729 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286493498 CPYASGLVWRWJBJ-OAHLLOKOSA-N 401.540 1.510 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C2CC2)N(C)C)CC1 1286493848 GWCJZILVCDPIHY-RTBURBONSA-N 414.554 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1286565512 PLLOKGGKYOVWSQ-FCEWJHQRSA-N 400.483 1.110 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C)C(=O)C1 1286783577 VUGNALOLUGPGHT-UHFFFAOYSA-N 423.304 1.833 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1286789968 ATFQOPVWWCWERF-CQSZACIVSA-N 416.913 1.491 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)N(C)C)C1 1286811102 ZRNTZCNATPVQJE-KZNAEPCWSA-N 423.583 1.302 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CCO1 1286943947 CPLNRUFXGIUBCL-QGZVFWFLSA-N 400.483 1.721 30 10 HDEE C#CCN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1289007535 KROZSQOZEMOBRF-UHFFFAOYSA-N 408.520 1.519 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)c3cnn(C[C@@H](O)CO)c3)c2)c1 1290505146 YSZMGSVIVOGOCP-OAQYLSRUSA-N 419.437 1.675 30 10 HDEE Cc1nnc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1290697480 AYNQNCKHEXYUKR-DYVFJYSZSA-N 421.552 1.519 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1Cc1ccc(C(N)=O)nc1 1290858298 HFZCYRQVKVZDQA-UHFFFAOYSA-N 420.452 1.466 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOc1ncccc1F 1293004218 NFZPGWOCCCNXMX-UHFFFAOYSA-N 409.425 1.989 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccn2)CC1 1298543361 PJDDPIJUQNZAOZ-HNNXBMFYSA-N 419.482 1.249 30 10 HDEE CN1CC[C@](O)(Cn2c(N3CCN(c4ccccc4C#N)CC3)nnc2C(C)(C)C)C1 1298884401 BHCLPUVUGWNRAM-HSZRJFAPSA-N 423.565 1.840 30 10 HDEE CN(C[C@H](O)c1cccc(Br)c1)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1299320504 AOGYZRJMZAAHLJ-DVEDPGPFSA-N 422.279 1.857 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC[C@H](C(F)F)N1CCOCC1 1300471528 FLABARHFVWIXKR-QGZVFWFLSA-N 421.496 1.565 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCSC1 1300673478 LTESZXBFXRLQLB-GOSISDBHSA-N 407.565 1.588 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC(=O)NCc2ccco2)CC1 1300722014 FVCHGEJMXHUYGY-UHFFFAOYSA-N 424.505 1.421 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300756641 RGDYXQIMUNSNAD-OAHLLOKOSA-N 418.567 1.290 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CC1 1300882257 HOKIFZSAWTWVJQ-QGZVFWFLSA-N 424.505 1.538 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1301036302 BTZFWNHWSMZKEL-HNNXBMFYSA-N 419.917 1.909 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1301052695 DBQIPAUOKWBXHC-LSDHHAIUSA-N 405.430 1.676 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1301475522 VAFMTHNZFWXHRK-PVAVHDDUSA-N 417.514 1.763 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1301491915 QVXHSGDFMPNFGT-AWEZNQCLSA-N 400.458 1.349 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOC[C@@H]1C 1302242200 JHMPUSYHRUIXNA-XSLAGTTESA-N 406.531 1.461 30 10 HDEE CS[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1302590447 GUEZZKULNLKUBG-HUUCEWRRSA-N 406.556 1.907 30 10 HDEE CC(C)SCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1303578506 IAKRHMVUCPRKAL-CJNGLKHVSA-N 401.533 1.764 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C 1309079510 MYDCQQYXRCJYPE-HOCLYGCPSA-N 424.544 1.358 30 10 HDEE CS(=O)(=O)[C@@H]1CCCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1309451617 AOGGCXUZDFRXOP-CYBMUJFWSA-N 421.338 1.909 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc([S@](C)(=N)=O)cc3)CC2)c1C#N 1310890335 GXJPOIPYILVPPI-MUUNZHRXSA-N 401.496 1.990 30 10 HDEE C#C[C@@H](NC(=O)NC[C@]1(OC)CCS(=O)(=O)C1)c1ccc(Br)cc1 1312937753 SHDBSHJRJNDFPH-GDBMZVCRSA-N 415.309 1.626 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3cccc(C#N)c3)n2CCn2cncn2)CCOC1 1314081088 HDBDLOUASRPMCG-OAQYLSRUSA-N 422.493 1.730 30 10 HDEE CN1CCN(CCn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1(C)C 1314930171 CEIVZGSDIZFVOP-UTKZUKDTSA-N 419.549 1.640 30 10 HDEE COC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1315944747 RADFUMAAVQRRHB-DAYGRLMNSA-N 401.467 1.925 30 10 HDEE COCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1316010614 QVQMRQLSNNLFPN-UHFFFAOYSA-N 413.482 1.378 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1cccc(F)c1 1316210840 RAMCKCRUVXLHQG-CRAIPNDOSA-N 419.457 1.949 30 10 HDEE Cc1cc(N2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)nn1CCC#N 1322798501 AKDWDLGLGZZALQ-GOSISDBHSA-N 401.448 1.480 30 10 HDEE COc1ccc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nc1Br 1353199081 YXLVMQINUWGYGR-UHFFFAOYSA-N 407.228 1.536 30 10 HDEE Cc1c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)NCCN(C)C)cnn1CCC#N 1354578149 VFIWQNHEFUVGLP-FQEVSTJZSA-N 408.506 1.350 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 1358179557 QYJRYNAJRUQUTF-IBGZPJMESA-N 421.472 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1358889846 HNKARLIFKOKNEG-BBWFWOEESA-N 407.584 1.759 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1358955370 KPTHYJPGJRUCEU-CYBMUJFWSA-N 408.553 1.490 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C)N1CCCCC1 1359018336 MGOLSPFDSAFVDN-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ncn(C)n1 1359019816 HNSPYCIAEDYJHO-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCOCC1 1359062835 VECIINWAXBCNCV-PGRDOPGGSA-N 414.554 1.475 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@@H]2C1 1359126543 SINAAYAAYIGAJU-GOSISDBHSA-N 402.543 1.781 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359137010 BKLRQTYYSURSNZ-HZPDHXFCSA-N 418.498 1.195 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccsc1 1359299269 ALUGBJDBJSMTOS-CABCVRRESA-N 400.508 1.934 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1359346265 GZTUCWYCGQEUCC-OXJNMPFZSA-N 423.583 1.812 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)N(C)C)CC1 1359375186 CYRZCOYVLDIWOR-UHFFFAOYSA-N 423.521 1.744 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCNC(=O)c1cccs1 1359465582 GLNVOXKNVDXIHJ-ZDUSSCGKSA-N 403.512 1.504 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)CC1 1453847428 RECIXXTWLDMRAY-YVLHZVERSA-N 402.516 1.686 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1cccc(CN2CCC[C@@H](C(N)=O)C2)c1 1456192556 FAOQZWHKLMMWMW-UXHICEINSA-N 400.523 1.471 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 1460133330 DMFIKFBANIOKCA-INIZCTEOSA-N 404.467 1.133 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 1460779385 SEZGXGYLWFLWAO-HXUWFJFHSA-N 423.535 1.684 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)ccc1Br 1463495957 DIELBCOJVRNCIC-CVEARBPZSA-N 414.325 1.540 30 10 HDEE CC(C)(C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1)C(N)=O 1468199937 XCMYXKRLBQTZKK-ZDUSSCGKSA-N 409.483 1.877 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl 1469877444 OKUACSLRTBHVAH-HNNXBMFYSA-N 421.881 1.117 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCc1c(I)cnn1C 1470008371 SWWNVELSXKNYFU-GWCFXTLKSA-N 404.252 1.805 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Cl)cc(F)c2Br)c(=O)nc1O 1470360952 MSQOLGFQICKNDB-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE C[C@]1(C(F)(F)F)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1471271958 YNXDDZFZGSRLAI-OAHLLOKOSA-N 405.398 1.672 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)C1 1471337154 NRIMKGLZGYRKNO-AWEZNQCLSA-N 403.426 1.877 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C(F)(F)F)CC1 1471450472 ALSAULIOWRNBKW-CYBMUJFWSA-N 419.425 1.085 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H]3CCNC(=O)[C@H]32)CC1 1473745535 SJFXJHNSINTWND-MDZRGWNJSA-N 401.536 1.057 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1C#N 1475350109 FDKRWZNIDJEFLG-UHFFFAOYSA-N 405.461 1.681 30 10 HDEE O=C(NCCOCC(F)(F)C(F)F)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1478577817 NVWRCOVHYDDMKM-ZJUUUORDSA-N 423.329 1.956 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccc(OC(F)F)cc3F)C[C@H]1CS(=O)(=O)C2 1479125536 QDHMQKGGUDERBQ-MEDUHNTESA-N 403.382 1.507 30 10 HDEE CCCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)[C@H]1CCN(CC(=O)N(CC)CCC#N)C1 1481402800 DZKZJVHFHOFIRE-SIFVSHMBSA-N 402.539 1.485 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)F 1503281568 XNDPCPFUKKDUIK-UHFFFAOYSA-N 412.466 1.847 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCOC1=O 1503476062 DLFZDSMPFLWFMU-KRWDZBQOSA-N 423.477 1.580 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1507750636 AVYHDKRSRJMUHA-QAPCUYQASA-N 412.581 1.552 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)[C@H](C)CC 1507773397 RLYCOTFGECTVND-FUHIMQAGSA-N 407.584 1.903 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507941980 OQILAQPUADJIMV-HXUWFJFHSA-N 404.515 1.985 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507959689 HGCBFZMPSYLXEE-UHFFFAOYSA-N 420.539 1.451 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1)C1CC1 1507987983 ODBOKHZKXBLLAI-AWEZNQCLSA-N 419.555 1.552 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(N)=O)cc1 1508405342 FVNIHKUBSJIUIE-CQSZACIVSA-N 410.482 1.649 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC)C1 1516021807 FISKBEQWPOUYTE-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1516733047 KZOOGSWKXFWSGR-LJQANCHMSA-N 424.505 1.681 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1517044131 UYRQKJVACYPXHJ-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1519520936 BGERIDXFFFIXNC-HOTGVXAUSA-N 411.528 1.116 30 10 HDEE N#C[C@@]1(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CCCOC1 1527534450 FQVNFYYSQYZUSY-IBGZPJMESA-N 409.483 1.805 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1534310005 JWQRADGCGBNTEJ-JJXSEGSLSA-N 404.467 1.601 30 10 HDEE Cc1ccc(OCc2cccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c2)cn1 1536179314 HAVSMARQQMOOFG-RXVVDRJESA-N 411.483 1.979 30 10 HDEE CNC(=O)N(C)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1536619110 DOEDPQPNKZMKLW-UHFFFAOYSA-N 401.448 1.139 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1539180053 VVQJIRVQCKRGNN-MUUNZHRXSA-N 401.540 1.290 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(F)cc1)N(C)C 1539259335 CMQUBVJIJQJHSB-RTBURBONSA-N 408.481 1.744 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(N2CCCC2)CCOCC1 1539312008 GWNMGYKNCGNHCQ-UHFFFAOYSA-N 421.549 1.787 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN(C(C)=O)C1 1539361984 LHQLMOFEZPIJLZ-INIZCTEOSA-N 412.494 1.724 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCCC)CC1 1539437514 CPUZURJLBCRBGX-UHFFFAOYSA-N 411.466 1.135 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CC(F)(F)CO2)CC1 1539459495 HSZJQSMAHPNSCW-KRWDZBQOSA-N 419.480 1.319 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539637333 PJBWWIZGKXCPIW-WWMYMODYSA-N 410.522 1.912 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539751703 SHIJIKWBBFTGIO-HOTGVXAUSA-N 400.545 1.634 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539804583 YOESXBXBMYFEJK-APIJFGDWSA-N 400.932 1.794 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1539917848 GUPUIKIVJCTJFC-HUUCEWRRSA-N 409.556 1.845 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1 1540523983 GNLZJHWLKORRKH-UHFFFAOYSA-N 402.476 1.725 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4c3C(=O)CC4)CC2)cc1 1540647829 KOBNPIDTIVRFFF-UHFFFAOYSA-N 409.467 1.834 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccsc1 1541921480 QHCLWIHGSBCFTP-ZDUSSCGKSA-N 408.553 1.932 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1544078096 AWYWTZLPXDKAHU-KSZLIROESA-N 405.564 1.451 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1 1544420145 BFOPIKQYJQYGJT-KUHUBIRLSA-N 406.508 1.902 30 10 HDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1555683073 SQSYJKHHAJQYPZ-MRXNPFEDSA-N 417.514 1.487 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccs2)C1 1555984877 DDUMZJCEVZFFTB-SUMWQHHRSA-N 409.512 1.926 30 10 HDEE N#Cc1ccc(Cn2c(-c3ccccc3F)nnc2N2CCS(=O)(=O)CC2)o1 1555989446 LGVHCPSHIBTRJU-UHFFFAOYSA-N 401.423 1.832 30 10 HDEE N#Cc1cccc(C2(NC(=O)CSCC(=O)N3CCOCC3)CCOCC2)c1 1557538532 DSHGGRVKEFTJTH-UHFFFAOYSA-N 403.504 1.272 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC2)cc1 1557723764 YIISVGNCZFOKOX-BJLQDIEVSA-N 413.547 1.933 30 10 HDEE C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)C[C@H]1CS(N)(=O)=O 1558607812 DJLXVGRXLHTKJT-MNOVXSKESA-N 416.297 1.083 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2ccccc2C(F)(F)F)nn1 1564958098 HEVODXHUZAXRGQ-HNNXBMFYSA-N 408.384 1.866 30 10 HDEE C=CCOC[C@@H](NC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)C(=O)OC 1568154685 OQAPBOOZXHSVMK-LSDHHAIUSA-N 400.472 1.263 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCS(=O)(=O)C[C@H]1C1CC1 1583038909 XOVAFVTZZQZYGH-HOTGVXAUSA-N 413.540 1.999 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@]1(CO)CCc2ccccc21 1583455887 CSFABWSEHMSFJI-NRFANRHFSA-N 413.499 1.108 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3c(C(F)F)nc4cnccn34)CC2)c1C#N 1585100838 JEFKIFGVTJMHGP-UHFFFAOYSA-N 400.393 1.543 30 10 HDEE Cc1cccc(N2C(=O)N[C@@H](CCC(=O)Nc3nc4n(c3C#N)CCOC4)C2=O)c1 1586254861 SDPBFIPMJRCCAJ-AWEZNQCLSA-N 408.418 1.437 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588059058 IMOUBOSVAJSHDC-INIZCTEOSA-N 409.556 1.018 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1588075167 ZNTSKTHLJMNURR-ULQDDVLXSA-N 408.524 1.205 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccccn1 1588574758 RHAABCIJXGGKIO-UHFFFAOYSA-N 405.462 1.649 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCOC1 1588574895 VPLMDNAQDCVGPY-KKSFZXQISA-N 418.469 1.795 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2Cl)CC1 1588865620 YGZPZSBBYNMZAG-UHFFFAOYSA-N 412.925 1.857 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1589110762 ZGUGEUAASZYMCW-OXQOHEQNSA-N 419.551 1.151 30 10 HDEE N#Cc1cc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)ccc1Br 1595885358 MEGSZMNAFYAQRR-XOUADPBQSA-N 418.247 1.812 30 10 HDEE CC(C)c1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CC(=O)N(C)C 1602821978 IBMJABNUNLEDLC-UHFFFAOYSA-N 412.498 1.553 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1614955964 GBKPHQIXFYTRIC-QGZVFWFLSA-N 423.477 1.374 30 10 HDEE C=CCNC(=O)N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N2CCC(Cc3ccccc3)CC2)[C@H]1O 1616153047 QEPSUPKAWZVVHR-XKRYSZRTSA-N 401.507 1.280 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CC=CCC1 1616826284 QIKFBGZUJCJVRU-UHFFFAOYSA-N 409.494 1.611 30 10 HDEE CN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CCC1 1617754669 OCMWWDDZYONKIP-HMWBCQRISA-N 400.483 1.687 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1619864872 CXXJPYRIJPHRLM-QGZVFWFLSA-N 418.523 1.323 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1620070333 GMCYEZKRWJLHKE-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC 1623598534 YINRGFAMBBZDQR-QAPCUYQASA-N 409.508 1.669 30 10 HDEE C=CCC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1623969473 LQGORHUQRJHOAD-INIZCTEOSA-N 424.519 1.302 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)/C=C/C(=O)c2ccc(C)cc2)c1 1624519053 DDMTUIMYDZCKBK-ZHACJKMWSA-N 416.455 1.824 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CCO1)C(=O)OC 1626208292 LERQNWIYCJFZJC-NJSLBKSFSA-N 400.472 1.309 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(NS(=O)(=O)c3cccs3)ccc2O)nn1 1626976813 CVOHLOKUONOGIF-UHFFFAOYSA-N 419.488 1.962 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1cc(F)c(C#N)c(F)c1 1628581785 BQCPQHWYBPOVMM-UHFFFAOYSA-N 408.430 1.692 30 10 HDEE CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1629743823 GISOZDIDAKSXDN-MRXNPFEDSA-N 412.446 1.280 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](NS(C)(=O)=O)C3)n[nH]2)c1C 1630814616 JCGRJHYTELZOJA-CQSZACIVSA-N 406.512 1.230 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 1634083010 AWJVIHLGKWDTCE-MRXNPFEDSA-N 404.536 1.421 30 10 HDEE CCc1nncn1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1634131287 HJQVCTNRCQCKHO-UHFFFAOYSA-N 403.284 1.727 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1634291613 GRKSMBGJANKYID-HNNXBMFYSA-N 415.295 1.542 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1 1635238687 VXHNIUAAAFAHPC-GWCFXTLKSA-N 408.373 1.756 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(N(C)C)cccc3s2)CC1 1636479768 GTDBMMZTRHEFDP-UHFFFAOYSA-N 406.533 1.193 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCSC)C(=O)N(C)OC 1636975035 SUKUGCKENKZLJL-KGLIPLIRSA-N 401.529 1.551 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CC(=O)NCc2ccc(C(=O)NO)cc2)CC1 1639591026 IZBVMQUCFMCBIR-UHFFFAOYSA-N 406.483 1.411 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)ccc(C)c3[nH]2)CC1 1640201576 KDOFYFCRXLYFQN-UHFFFAOYSA-N 417.307 1.746 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCCN(CCCO)C2)cc1B1OC(C)(C)C(C)(C)O1 1640965448 MLEJSOSDIWTUEN-GOSISDBHSA-N 402.344 1.871 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1644429328 UKYUZJGRESKAIN-SFHVURJKSA-N 414.502 1.472 30 10 HDEE C[C@H](CC(=O)N1CCC2(CC1)C[C@@H](O)CCO2)/N=C1/NS(=O)(=O)c2ccccc21 1645200911 CWPDUFCGVXCCEX-CABCVRRESA-N 421.519 1.036 30 10 HDEE C#CC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)C1 1646382044 QQZRIXNOWMBVNE-UHFFFAOYSA-N 415.427 1.524 30 10 HDEE CN(CC(=O)Nc1cc(-n2cnnn2)ccc1Cl)C[C@H](O)c1cccc(C#N)c1 1647116279 MDFYWOPHSWRGRU-SFHVURJKSA-N 411.853 1.791 30 10 HDEE COC(=O)[C@@H]1Cc2ccc(O)cc2CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1648091975 CAHIOQFIVJNMCQ-XLIONFOSSA-N 419.437 1.743 30 10 HDEE Cc1nn(C2CCOCC2)cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1650917267 XXNOUTYOASANDD-AWEZNQCLSA-N 417.491 1.720 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CCO1 1654266736 ARLIVBZGOJEKSO-HUUCEWRRSA-N 405.524 1.649 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 1654847527 AHLJHPIMUIQBOQ-MRXNPFEDSA-N 403.552 1.773 30 10 HDEE Cc1ccc(-c2noc(CCCN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1F 1654885831 STVHMUGULWXBAZ-KXBFYZLASA-N 404.467 1.987 30 10 HDEE CN(C)C(=O)[C@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1654912155 KKGXMFRIUVDBCU-IRXDYDNUSA-N 403.552 1.257 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(CC#N)cc1)C(=O)N1CC[C@@H](N(C)C)C1 1655962834 AGJOJJOAMUBIDK-MJGOQNOKSA-N 406.552 1.608 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)CCOCC1 1666311631 PWWKULYVNWCSQD-UHFFFAOYSA-N 403.479 1.582 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)C1 1671459418 QSGVNNYGAGYOFX-MRXNPFEDSA-N 411.593 1.829 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1678012697 RNXSJVHEVRXIOU-OAQYLSRUSA-N 414.462 1.228 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 1682345471 WGPVFERFGYVMEH-LJQANCHMSA-N 418.494 1.925 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](c3nccn3C)C(F)(F)F)CC2)c1C#N 1685754027 WIZLZLZTNUDTPY-ZDUSSCGKSA-N 410.404 1.469 30 10 HDEE Cn1ccn2c(CCNC(=O)N3CCC(c4ccc(C#N)cc4)CC3)nnc2c1=O 1687629816 HYKDMGIRHGWJQS-UHFFFAOYSA-N 405.462 1.431 30 10 HDEE C#CCC1(NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CCOCC1 1687782813 UTVQMNSTBWEGNF-OAHLLOKOSA-N 420.510 1.078 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689844757 IQPRRMSOJJDQCR-PKOBYXMFSA-N 409.538 1.741 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCO1 1689943550 VBOHLLOFDRTQLN-LJQANCHMSA-N 410.522 1.387 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1689988831 WVGPPUYCLIHPII-INIZCTEOSA-N 401.492 1.234 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1689991222 YOFIRZDIWSNVCQ-INIZCTEOSA-N 407.540 1.041 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1690484906 GZADBHUDPPNEGS-SJORKVTESA-N 423.583 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC=C(COC)CC1 1690726588 FNMLNPAMEFYVBB-UHFFFAOYSA-N 417.535 1.648 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1([S@](C)=O)CC1 1694325816 FHABYIIAIWBJJD-HPGBDJQBSA-N 410.519 1.550 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCOC 1696298101 AIAXOYDGHLLGSV-UHFFFAOYSA-N 402.455 1.013 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CC[C@](F)(C#N)C1 1696499163 CTEBKAQNVOWZJT-SFHVURJKSA-N 421.502 1.035 30 10 HDEE COCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1697969836 CIEDKBXKPCJPJH-QGZVFWFLSA-N 401.515 1.117 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@H]1COCCO1 1698247980 LCJNCFXCSCXWQZ-NTLWEQJWSA-N 419.526 1.938 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705540078 MLGFLMOBWVMVDM-ULQDDVLXSA-N 410.540 1.429 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1cccs1)N(C)C)[C@H]1CCS(=O)(=O)C1 1705570226 LTKGKXKZFHKIKO-JKSUJKDBSA-N 421.592 1.832 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCc1cnn(C)n1 1705575357 HYFVUDFGAGTSCM-UHFFFAOYSA-N 419.489 1.796 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@H](C)O[C@@H](C)C1 1705598554 LMLHWXNJJUPGJU-JENIJYKNSA-N 418.563 1.847 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCC1CCOCC1 1705626966 PGNQGAJVJWHVRQ-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2(COC)CCC2)CC1 1705638214 CFRHCLAEULOTRE-KRWDZBQOSA-N 400.527 1.191 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1705840221 GAEMFUYMPQMKPI-UHFFFAOYSA-N 401.496 1.191 30 10 HDEE CCn1cnnc1Cn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1710201348 JFCRUFNXSHABQZ-UHFFFAOYSA-N 420.525 1.829 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1710308425 FLIZMPIZMSSOAJ-UHFFFAOYSA-N 409.494 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(CCOC)c1 1722306633 UKNIUQZCNHKMNM-NJAFHUGGSA-N 402.499 1.351 30 10 HDEE C#CCCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1722322358 KPXQHIURSSURSH-KGVIQGDOSA-N 415.538 1.981 30 10 HDEE C#CCN(c1nnc(CC)n1CCNC(=O)[C@@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1722368247 QBDPKCDVAJHOTE-HOTGVXAUSA-N 409.556 1.020 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)N(C)C 1722407422 LAOJTOGTXVPCNM-IBGZPJMESA-N 405.510 1.721 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)COC)CC1 1722447073 CXZXAAGDAGHSOI-QGZVFWFLSA-N 403.527 1.420 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722459020 AOMUCXJSOFNBLR-CVEARBPZSA-N 418.523 1.808 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722459023 AOMUCXJSOFNBLR-JKSUJKDBSA-N 418.523 1.808 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC 1722671827 CVQVRXYSQXBHBN-UHFFFAOYSA-N 410.526 1.767 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCCN(C(C)C)CC1 1722692405 LBPPFYHTAGYXKH-UHFFFAOYSA-N 419.574 1.419 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC(C#N)CC1 1729226206 JGVWTWILYUZIOV-UHFFFAOYSA-N 408.553 1.610 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)C1 1731014389 HWSIMKRCEGAXIF-OAHLLOKOSA-N 400.508 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCS(=O)(=O)NC(C)C 1740657072 UENRYIYJAFTBDU-UHFFFAOYSA-N 405.568 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC2CC2)CC1 1740697188 VBXAQIBPMMDNST-UHFFFAOYSA-N 410.497 1.289 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2C)CC1 1740706680 ZKLXZCVNVUPGSS-IBGZPJMESA-N 420.517 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C)OC)CC1 1740706906 IBYJMAZPBPWGDD-CQSZACIVSA-N 416.551 1.635 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)N1CCN(CC)CC1 1740903630 FWJOCYAPONTSAR-IBGZPJMESA-N 400.575 1.788 30 10 HDEE C=CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)C1 1740946783 GWBPMRFKMCTWHI-UHFFFAOYSA-N 404.515 1.857 30 10 HDEE CCn1cnnc1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1746361409 DFQKYGXNOVGZDF-UHFFFAOYSA-N 419.493 1.682 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1nncn1-c1ccccc1 1748684944 RIRDXFKVYMNGEI-MRXNPFEDSA-N 404.478 1.487 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@@H](COC)C1 1748747900 NUNWGJKWFZCQAT-OAHLLOKOSA-N 408.462 1.859 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCNC(=O)c1cc[nH]n1 1748781097 XFJQXUQMJTWPCO-UHFFFAOYSA-N 400.446 1.716 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOCC2CCOCC2)CC1 1749014432 JRRDHQNMBRERAF-UHFFFAOYSA-N 417.554 1.640 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cccc(C(=O)NC)c2)CC1 1749014655 LPIKOIRINDORGM-UHFFFAOYSA-N 408.506 1.214 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1749727071 MINOZQRSTGEXQY-MRXNPFEDSA-N 417.491 1.187 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1749754015 DKBPYRLFRLANFQ-INIZCTEOSA-N 414.535 1.884 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760153468 RWIBGNQAWCQPAS-CVEARBPZSA-N 416.526 1.994 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCC(C)CC2)CC1 1760262623 TWTXVDVXKMAZHA-UHFFFAOYSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760287256 LQSCPKAUEUTUII-ZWKOTPCHSA-N 405.568 1.797 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1760530626 WMZXVHJVVRDKBX-QFIPXVFZSA-N 421.505 1.993 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2)C1 1760534200 SOKLXTZMJISCAX-KRWDZBQOSA-N 412.494 1.747 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H]1COCCO1 1760697900 YVPMYDDYIGBAPL-FUHWJXTLSA-N 409.494 1.918 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1763198637 HBMJMURUWOKCHF-ZHALLVOQSA-N 411.510 1.568 30 10 HDEE CNS(=O)(=O)CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N 1767844296 GSHIZELDWMAFSW-KBPBESRZSA-N 424.502 1.845 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1768932698 WEFOYDXFNVNDGD-ZPHPHTNESA-N 421.465 1.133 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCN2CCSCC2)CCO1 1770746518 AYRMLSSFSOLYJX-OAHLLOKOSA-N 419.942 1.771 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(CC(F)F)CC3)n2C[C@H]2CCC(=O)N2)cc1 1771532477 BNVJAHNMRZONJW-MRXNPFEDSA-N 415.448 1.482 30 10 HDEE Cc1cccc(S(=O)(=O)NCC(=O)NCC#CCN2CCc3ccccc3C2)c1 1850014759 XRZVYNUUXLPOCA-UHFFFAOYSA-N 411.527 1.451 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3C[C@H]4C[C@H]3CS4(=O)=O)cc2)c1C(F)(F)F 1851379244 WFTRFMVCHMZWGN-UONOGXRCSA-N 410.377 1.774 30 10 HDEE C[C@@H](C(=O)N=C1NN(c2ccc(Cl)cn2)C[C@H]1C)n1nnc2ccccc2c1=O 1851739031 GXCUJVKLEHMWIA-NEPJUHHUSA-N 411.853 1.987 30 10 HDEE N#Cc1cccnc1N1CCN(CCCS(=O)(=O)NCc2ccc(F)cc2)CC1 1851817388 CDEFYNRCBNNIIC-UHFFFAOYSA-N 417.510 1.724 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(F)c1C#N 1851929515 KPRWWSGNCFKTFZ-UHFFFAOYSA-N 403.435 1.995 30 10 HDEE N#Cc1cccnc1N1CCN(CCOCC(=O)c2ccc3c(c2)OCCO3)CC1 1852430549 VPXVLUDIGZHOER-UHFFFAOYSA-N 408.458 1.746 30 10 HDEE CN(C(=O)c1cn(C)nc1C(F)(F)F)c1snc(N2CCOCC2)c1C#N 1852452003 OLNHGGSDQOWRLM-UHFFFAOYSA-N 400.386 1.880 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(Cc3nnc4n3CCCC4)CC2)cc1 1853025791 YIFKYEJOQWIIBI-UHFFFAOYSA-N 408.510 1.425 30 10 HDEE CN(CCC#N)[C@H]1CCCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)C1=O 1854286909 LFTCSJAYIJVYCM-KBPBESRZSA-N 414.453 1.994 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)nn1C 1854321350 YHHSCCDKQFDXQV-LJQANCHMSA-N 406.490 1.159 30 10 HDEE COc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854394053 WWJHFZZTOVUSEY-INIZCTEOSA-N 402.428 1.657 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854402080 XNBMLBGZWSOWOP-MRXNPFEDSA-N 419.503 1.681 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)[C@@H]4CCOC4)C3=O)CC2)c1 1854420099 ZJNTYXIJGRPCOD-MOPGFXCFSA-N 412.490 1.598 30 10 HDEE CCCCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)C1 1855022946 MBRCLCOOEFPZTN-SFHVURJKSA-N 418.519 1.047 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)[C@@H](C2CCOCC2)C1 1855099653 XSANMDSXTKFARB-LEWJYISDSA-N 410.518 1.732 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855870056 MANGGOLKGPJMKL-MRXNPFEDSA-N 421.494 1.600 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1CCN1CCOCC1 1855996492 BGUUTTXAQXMASN-UHFFFAOYSA-N 418.925 1.801 30 10 HDEE CC(C)S(=O)(=O)N1CCN(C(=O)c2ccnc(C#N)c2)C(=O)C12CCCCC2 1856469718 ANSFDJJHCJDBMD-UHFFFAOYSA-N 404.492 1.679 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ccnc(F)c4)CC3)CC2=O)cc1 1856566871 UJIMVHGSSPBKFU-QGZVFWFLSA-N 407.449 1.903 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccccc3F)C(=O)O2)CC1 1856602546 HKTXBEVSGJXAHF-KRWDZBQOSA-N 423.466 1.671 30 10 HDEE CN(c1ncccn1)[C@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1856616842 DKEJKSHBAQTORE-HKUYNNGSSA-N 404.474 1.548 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncn3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857050283 HWEIBUAYYITXLG-SJLPKXTDSA-N 413.522 1.317 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncn1C 1857484175 HNVNDCGTPLGTML-UHFFFAOYSA-N 402.476 1.736 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(C)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002550 OMWMABZNFWIZRF-KRWDZBQOSA-N 415.519 1.799 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc(F)cc3F)cc2C1=O 1870158786 ONINCQXRWANXJE-UHFFFAOYSA-N 408.324 1.895 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871520934 AGKYQNRYLVOOGK-UHFFFAOYSA-N 412.454 1.094 30 10 HDEE COc1ccc(/C=N/n2c(S)nnc2CNC(C)=O)c(Br)c1O 1874560235 NIDHDDOMLWDVGO-FZSIALSZSA-N 400.258 1.562 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1888989748 YNXWBBSHHDBREC-LEWJYISDSA-N 412.559 1.835 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCC(COc4nccnc4C#N)CC3)CC2)nn1 1891244815 COXDDBSXBRGXNJ-UHFFFAOYSA-N 421.505 1.981 30 10 HDEE COc1ccc(N2C[C@H](CNS(=O)(=O)c3cccc(C#N)c3)OC2=O)cc1OC 1891436548 RPIWRUNARNJERX-HNNXBMFYSA-N 417.443 1.879 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cn2nc(-c3cccs3)ccc2=O)C1 1891836871 CRBNDDCHUHDCSN-CQSZACIVSA-N 422.470 1.703 30 10 HDEE C=C1COC[C@H]1NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 1918848315 YCQCQOGDYURUJE-LLVKDONJSA-N 409.201 1.223 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@H]1CCO 2174779939 OMCKFKKVQYLYRR-OAHLLOKOSA-N 401.529 1.704 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221681450 LWWAJGDLVMOCMX-DZGCQCFKSA-N 411.296 1.995 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247782195 RJQJQWIIIQWUFR-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247824138 UTQXVQHQBGXUEL-INIZCTEOSA-N 412.343 1.970 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247856972 PGFLBBRCWIKKJY-RYUDHWBXSA-N 423.323 1.146 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@@H]2C1 2247864130 ATHBVHBVKGUBJG-ZIAGYGMSSA-N 417.315 1.909 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1(C)CN(C(=O)OC(C)(C)C)C1 2247911021 RTMXOKQVLWCQHL-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247916183 RQHQSHXLERAGHT-BETUJISGSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2248401972 QEVHPKHGUDUCQN-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371811 FZGUJQJUEWZJPY-BUBHHJDNSA-N 407.388 1.435 30 10 HDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2267412752 QXYOWJMPBKUYBF-UHFFFAOYSA-N 413.276 1.262 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2267707544 SQDLKRURVKAHCX-MRVPVSSYSA-N 400.253 1.813 30 10 HDEE CNC[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2281974566 XVNALPDNRXDHJL-NSHDSACASA-N 400.737 1.761 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312855 CFZLFQWACRUGRJ-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCN[C@@H]4C[C@H]43)cc2Cl)OC1(C)C 2282317595 TXOYYPPCKGVCDT-MVWJERBFSA-N 418.777 1.729 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](CO)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282318332 ZUHXZGURMHAMSP-STQMWFEESA-N 401.359 1.605 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@H]1F 2282322109 GLAQSUJLLPRRKM-VXGBXAGGSA-N 405.322 1.713 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327952 QBKIINRXXUZNSB-CHWSQXEVSA-N 400.375 1.571 30 10 HDEE CCn1c(O)nnc1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344620 WIWNJPDMVJPVMZ-UHFFFAOYSA-N 400.291 1.165 30 10 HDEE C[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349091 UMKXXICGDHERNF-LLVKDONJSA-N 423.387 1.149 30 10 HDEE COCC1CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282504571 QYYXSQQVMDRGOO-UHFFFAOYSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(C(F)F)COC2)OC1(C)C 2282508455 WQJPEXXSLZSRFM-UHFFFAOYSA-N 409.285 1.501 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512175 RJCWKDJDTWNMKV-JPQMIFPKSA-N 421.777 1.685 30 10 HDEE CN(C[C@H]1CCCS1(=O)=O)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282617837 IZUAEORLSGIYRR-LLVKDONJSA-N 400.331 1.092 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOCCCN(C)C 2282830838 AKEKDAPSOOEFDV-UHFFFAOYSA-N 404.363 1.517 30 10 HDEE CNCC[C@@H](C)N(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282837984 YWRVRGSWHRQKAZ-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CCC(N)CC2)OC1(C)C 2282843386 MKSRROWRBOIDIA-UHFFFAOYSA-N 400.375 1.737 30 10 HDEE CN(CCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282856099 NSJAWRGFTPQYHX-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC(C)[C@H]1COC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876565 FQWYTZONVQIXOD-OCCSQVGLSA-N 401.359 1.997 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC(CCO)CC2)OC1(C)C 2282882310 JUTVWMCPCYUOJB-UHFFFAOYSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@H](CC(=O)O)C3)c2)OC1(C)C 2284405881 QQQLOFWRBWJTCL-LLVKDONJSA-N 401.315 1.533 30 10 HDEE C[C@H]1[C@H](C(=O)O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410334 STAWHOHAYNDYJW-WDEREUQCSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284415710 ZBMNUYCOECMQMP-LBPRGKRZSA-N 401.677 1.487 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OCc2ccccc2)C1 2317414042 WBKBCBFJPMICDW-OHTSDLOESA-N 408.520 1.221 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(OC)ccc1OC 2330772817 VUDYCPJCJDHPLD-UHFFFAOYSA-N 407.452 1.079 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](CS)C(=O)O)C[C@@H](P(C)(C)=O)C1 2344169599 QKAHUPXCUNAKQU-UTUOFQBUSA-N 408.457 1.734 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@@H]2OCCC[C@@H]21 2359725605 YTHUIPCPEKHDCC-JKCQUFRZSA-N 402.513 1.727 30 10 HDEE C#CC[C@H](NC(=O)NCc1c(Br)c(Br)nn1C)C(=O)O 2364444192 ULRPKJJOZCCNOM-LURJTMIESA-N 408.050 1.221 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@]([C@H](O)C#CC(C)(C)S(C)(=O)=O)(CO1)C2 2365196873 QUEQXGPDVOFZAL-CCKFTAQKSA-N 401.525 1.638 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365204848 OZIJOJXICWFJTH-OAGGEKHMSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365209812 GUVCGJFFIUUKQE-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CCOCC[C@H]1NC(=O)OC(C)(C)C 2367790066 TWQYCCQZCGRFEW-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE C[C@H]1C[C@@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367796551 QKCQGCKJMRHXOX-SUMWQHHRSA-N 401.481 1.436 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367823730 JAGILJUXIAFFPS-JYJNAYRXSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2367833177 HBSNALITBBTWEN-RLFYNMQTSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367842742 HIRCNGZUGOUMOH-AAEUAGOBSA-N 407.435 1.142 30 10 HDEE C#CCNC(=O)CCN[C@]1(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2379458684 GPVYEZSTQGCYMB-XMSQKQJNSA-N 415.490 1.606 30 10 HDEE CCCN[C@H](C#CC(C)(C)OC)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379884102 RJWBJCBFPJKKQR-OAHLLOKOSA-N 402.557 1.817 30 10 HDEE Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1cccc(C#N)c1)OCC(=O)N2 8607693 KAYBVKNJWRGPHG-UHFFFAOYSA-N 414.443 1.457 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 23266010 VNASHFKIVQHZET-QGZVFWFLSA-N 402.564 1.824 30 10 HDEE CN(C)S(=O)(=O)N1CCN(C/C(O)=N/c2nc(-c3ccccc3)cs2)CC1 27432595 BOWCZMCBYWPXJP-UHFFFAOYSA-N 409.537 1.822 30 10 HDEE CC(C)S(=O)(=O)[C@@H](C)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 108618680 LUJMOQGMOGIGNG-ZDUSSCGKSA-N 421.498 1.726 30 10 HDEE Cc1ccc(O)c[n+]1/C(C(=O)c1ccc2c(c1)OCO2)=C(/S)NCC(=O)N(C)C 139907778 YZPRWRQNQZBKIS-UHFFFAOYSA-O 416.479 1.333 30 10 HDEE CCCCCCCn1c(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)nc2ccccc21 256022176 LENMHLSEYMSDHU-LFDJNIOPSA-N 410.536 1.899 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1 410195372 YRYLLLOJCZBGPE-IAGOWNOFSA-N 405.524 1.108 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)C1 479873146 JVRMIEAJNWJNQY-CTNGQTDRSA-N 405.502 1.774 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCC(CNS(C)(=O)=O)CC1 480300374 MRFGWQYGSJHSOB-UHFFFAOYSA-N 410.496 1.377 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 480464078 HDYAUPMXPFPERG-OAHLLOKOSA-N 409.471 1.727 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc3c(Br)cccn23)C1=O 485492206 NDTCAHCUBSFUCH-UHFFFAOYSA-N 406.196 1.012 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)COC[C@@H](O)CO 503933180 YYYHDIQLLFHAGW-XUVXKRRUSA-N 422.559 1.559 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)nn1-c1cccc(C#N)c1 506572566 ORGNGWQXICMPNL-NVXWUHKLSA-N 401.492 1.500 30 10 HDEE CCc1c(C(=O)Nc2nn(C(C)(C)C)cc2C#N)cnc2c1c(=O)n(C)c(=O)n2C 513924485 UAJLUFLTSIDLBZ-UHFFFAOYSA-N 409.450 1.270 30 10 HDEE CC1(C)C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 514107723 PMSGRMRKOLSJLX-INIZCTEOSA-N 406.508 1.532 30 10 HDEE Cc1csc(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 533238992 LROPAHDQNJOKTQ-UHFFFAOYSA-N 405.505 1.268 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544881686 MNMZCTGOSJAZPK-UHFFFAOYSA-N 414.491 1.558 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1F 551458016 NSAUAAUGKDJBHS-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE CCOC(=O)C1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCOCC1 586092674 XMGQVMWUBYWNGH-UHFFFAOYSA-N 402.451 1.432 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(Cl)c2)c(=O)n1-c1ccc(F)cc1 603923014 CIHRPGVFAVRGOO-UHFFFAOYSA-N 413.861 1.941 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1OC 609006388 JWTDBVWPVYCOEN-QGZVFWFLSA-N 422.441 1.883 30 10 HDEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670201121 JDVWCGJNBLXMHK-XLIONFOSSA-N 409.538 1.905 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)CCN2C1=O 675086050 BMZSBOZHEMVNRJ-HNNXBMFYSA-N 408.380 1.735 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(CCCc2cnn(C)c2)C1=O 726738280 SXPXCQPKEKEABZ-KRWDZBQOSA-N 410.503 1.992 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)CNC(=O)c1cc2c(s1)CCCC2 726824305 YDPJYZVZWKROQM-UHFFFAOYSA-N 402.476 1.556 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)cn1 727417522 MSHMISZCKYALHU-UHFFFAOYSA-N 424.482 1.171 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1C)[C@H]1CCS(=O)(=O)C1 729333230 SEDBNVKQZWTCGZ-LBPRGKRZSA-N 410.546 1.285 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCSCC2)cc1 732447462 FSZKBLJASYPHDK-VHEBQXMUSA-N 415.519 1.565 30 10 HDEE COC(=O)[C@H](OC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(C#N)cc1 740204770 QECQDWLUIMGBOJ-QGZVFWFLSA-N 411.345 1.972 30 10 HDEE CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746156856 DODSPQSOZJTFSD-UCMDFWOYSA-N 412.490 1.931 30 10 HDEE CCOc1cc(Cl)ccc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 759511905 CLGSWPPZHFZSPZ-FOCLMDBBSA-N 406.826 1.320 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)Cn1c(C)cc(O)cc1=O 759905264 DOTOEWREUUQCSL-HNNXBMFYSA-N 413.430 1.750 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)OCC[C@H]3C2)c1 763416849 FHHBLTODDIVKEE-LBPRGKRZSA-N 400.254 1.536 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 774040686 VKLMMPIRADAHQV-JTDSTZFVSA-N 405.520 1.954 30 10 HDEE C#CCN(C(=O)c1cn(C(C)(C)C)nc1Br)[C@@H]1CCS(=O)(=O)C1 779926035 OELIYFIUTKKPDO-LLVKDONJSA-N 402.314 1.663 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC(C)(C)[C@H](C)O)nnc12 782033428 NLNKKYNVYGSFEM-LBPRGKRZSA-N 401.492 1.598 30 10 HDEE C=CC[C@@]1(C(=O)NCCn2cc(C(=O)OC)nn2)CCCN1C(=O)OC(C)(C)C 803644910 WKMVLRFBJYYILX-IBGZPJMESA-N 407.471 1.527 30 10 HDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2-c2ccnn2C)c1=O 814249655 VNSZSDFBLRXKMD-UHFFFAOYSA-N 419.510 1.764 30 10 HDEE O=C1Nc2cc3c(cc2C1=NOCC(=O)N1CCC(c2ccccc2)=N1)OCCO3 836977085 ITGVNAWHPVWNJP-UHFFFAOYSA-N 406.398 1.767 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2ccccc2O)n1N 1084257270 HUVPPSMSXVJQGU-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE C[C@@H](C(=O)N(CCC#N)Cc1cccnc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1126341314 UXFMKFNMHNABIZ-INIZCTEOSA-N 415.494 1.792 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1128731918 UADRGTHPKSDEFB-AOMKIAJQSA-N 406.442 1.901 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)cc3)C2=O)cc1 1129127014 PPMGUQZPFHZVFY-JOCHJYFZSA-N 409.417 1.921 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(OC(=O)Cn3cc(C#N)c(O)nc3=O)cc2)cc1 1136518397 HWPBBIJXWQYTDJ-UHFFFAOYSA-N 404.382 1.987 30 10 HDEE CS(=O)(=O)c1ccccc1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1142291605 CYQTVYLOKCXUJA-UHFFFAOYSA-N 406.485 1.193 30 10 HDEE COc1ccc(NC(=O)c2cccc(C#CCO)c2)c(N2CCN(C(C)=O)CC2)n1 1142795829 NVMUJAXPRUCLEF-UHFFFAOYSA-N 408.458 1.355 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1 1147468885 CJDITMCRONSYNQ-JVMRMLDLSA-N 418.881 1.578 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1147468887 CJDITMCRONSYNQ-ZBBYCGENSA-N 418.881 1.578 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1162475016 LHUMGBJDOAIJTG-KSZLIROESA-N 424.519 1.423 30 10 HDEE COC(=O)[C@H]1C[C@@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 1174863578 QYPICVLVIOWDBC-UHOSZYNNSA-N 402.470 1.418 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](N3CCN(C[C@H]4CCCS4(=O)=O)CC3)C2=O)cc1 1175389266 GXTAIIQWIOJVGF-WOJBJXKFSA-N 416.547 1.248 30 10 HDEE Cc1ccc(C(=O)N2CCC(c3nnnn3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1177017954 LAPLOOXEEYUULX-UHFFFAOYSA-N 411.315 1.838 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1180249076 VEEDUEARNJTWNO-NVXWUHKLSA-N 415.389 1.735 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3ccc(S(C)(=O)=O)cc3c2=O)c1 1189182953 MGTVOAFWUYMIBG-UHFFFAOYSA-N 424.438 1.130 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)c1 1193964881 UZZOYYDKDKGCPI-LDLUVENISA-N 413.503 1.338 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NCc1nnc2n1CCNC2=O 1206202523 FMKUNPQRCFOMKM-UHFFFAOYSA-N 421.255 1.671 30 10 HDEE C#CC[C@@H](CCOC)NC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1206992419 USBQXFGPBCEBJA-KRWDZBQOSA-N 407.536 1.816 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2c(Br)ccc(Cl)c2F)CC1 1207293162 FVDYAAPWYPMVEO-UHFFFAOYSA-N 424.723 1.827 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC3(CC2)COCCO3)cc1 1214686918 KJORLWRZAMXPRP-UHFFFAOYSA-N 409.508 1.906 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(Cc2ccc(OC)cc2)C1=O 1227707556 IXOWNIRJHDVEAS-SFHVURJKSA-N 415.490 1.783 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 1229292364 RRQSCMQJNHLIDU-LJQANCHMSA-N 400.523 1.571 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@H]1c1cccnc1 1265033070 WXLTZXUFYATMSQ-YADHBBJMSA-N 420.469 1.922 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(F)(F)C1 1286296487 PJYKGMYNFFRJJD-TZMCWYRMSA-N 417.482 1.114 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(C)nn(C)c1C 1286470505 XMYZKPGYALIYRB-HKUYNNGSSA-N 416.526 1.487 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286790170 OIHUFLMEYIYEKI-RHSMWYFYSA-N 415.567 1.609 30 10 HDEE CC(C)CC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)CC1 1287340361 FHDDVSOBDHTLOZ-GJZGRUSLSA-N 410.544 1.443 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1288234601 YPKBOWNUGHANAS-OAQYLSRUSA-N 423.477 1.372 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1288699097 DVGDMGPDLKEMGE-QZTJIDSGSA-N 415.542 1.251 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cnn(CCO)c2)c1 1291721463 KVCUIQKGZJEACQ-RELWKKBWSA-N 419.507 1.721 30 10 HDEE C=CCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2n1C 1297984634 CIPPDZAGXJQJNA-UHFFFAOYSA-N 406.508 1.914 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2OCCC2(C)C)CC1=O 1298892750 LLMMDWOGTNVZRK-GOSISDBHSA-N 424.505 1.822 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1300407798 DHKCFWYMTDGNBO-DLBZAZTESA-N 414.510 1.352 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300408920 OLJYZDMFLDGVAO-HOTGVXAUSA-N 412.498 1.465 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1300421803 RTYFQHWHPILZIF-GOSISDBHSA-N 418.567 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1300579169 SDAKZQDNZZBVCI-UTKZUKDTSA-N 418.563 1.584 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)C 1300635205 HDKQGAJOHVGYRP-UHFFFAOYSA-N 402.524 1.501 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCCC1 1300664328 QTZGZYVBIQJNBT-MSOLQXFVSA-N 402.543 1.436 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCOC2)CC1 1300685429 NQEUNEAXZDHTIT-GHTZIAJQSA-N 403.527 1.112 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccs2)CC1 1300719486 CRIPSKOCVYJOSF-UHFFFAOYSA-N 423.546 1.949 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2)C1 1300733331 VBHCCWVOZRAEMD-KRWDZBQOSA-N 404.584 1.847 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300845038 UCLVSDJGDFKNMM-DYVFJYSZSA-N 410.316 1.940 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1300902007 XUYCFZMIWRGQSY-NRFANRHFSA-N 414.510 1.875 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1301425399 HWZXRZDSWZKBKH-QFIPXVFZSA-N 423.521 1.634 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1301458898 IXQLEAJXNAOEOM-OALUTQOASA-N 416.570 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1301490597 BJEKOBWUTYTNOR-GOSISDBHSA-N 422.489 1.860 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCO[C@@H]2C)C1 1301536028 RHNPTGPABWNJCV-CEQIKUNHSA-N 421.542 1.518 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@H]1COCCO1 1303419484 MASYIDRUWQSCOX-QYZOEREBSA-N 424.505 1.575 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@@H]2C(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 1306652493 SVPOWJLISMXWFR-QFBILLFUSA-N 416.547 1.952 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@](C#N)(c4ccccn4)C3)CC2)o1 1307987430 FPVAEXARTDSMMK-JOCHJYFZSA-N 419.489 1.456 30 10 HDEE CCOC(=O)[C@]1(C)CN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CCO1 1308017860 WOXLXJGZMIABQE-KKSFZXQISA-N 403.479 1.984 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1308160935 FBSXFWSMXFNFDB-XOUADPBQSA-N 409.474 1.871 30 10 HDEE C[C@@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)[C@H](C)CCO1 1308166741 KZIYGOLWJIERMX-HZPDHXFCSA-N 413.478 1.954 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1314948944 FCQSNYPDJZGISP-YJBOKZPZSA-N 412.494 1.441 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1314966831 VIGGFPGELQBFRO-FCHUYYIVSA-N 424.505 1.585 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(O)CCN(C)C1 1315645500 BOFCAXRWLRDKFW-IERDGZPVSA-N 414.510 1.528 30 10 HDEE COc1ccc([C@H](CC(=O)NS(=O)(=O)c2ccccc2C#N)NC(C)=O)cc1 1317907719 ZINXFYLNCPUSHM-KRWDZBQOSA-N 401.444 1.639 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1323756689 LYTJQIQITZEXAW-INMHGKMJSA-N 414.911 1.267 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1352811411 PCXGFDHWLHUHPD-FQEVSTJZSA-N 412.534 1.581 30 10 HDEE C#CCN(C(=O)Cn1cnc(C(N)=O)n1)[C@@H]1CCOc2ccc(Br)cc21 1353635167 QPFSGZHFGDAADP-CYBMUJFWSA-N 418.251 1.125 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1358966167 JBYRQADEDILPCA-CQSZACIVSA-N 420.457 1.784 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCc1noc(CC)n1 1359013210 PGTGBHYOJXZSQG-UHFFFAOYSA-N 413.507 1.917 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1Cc2ccccc2O1 1359018338 MIKHOXGKJGPIAR-SFHVURJKSA-N 409.490 1.604 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1359137011 BKLRQTYYSURSNZ-JKSUJKDBSA-N 418.498 1.195 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1359287766 UONFBOOQVGCELC-CKEIUWERSA-N 400.435 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1359327500 CYDBVZZWMIDQDZ-UHFFFAOYSA-N 423.564 1.520 30 10 HDEE COc1cc(N2C[C@@H](C(=O)N(C)c3cc(C#N)ccn3)CC2=O)cc(OC)c1OC 1435929758 COLABDOEZRNMEX-AWEZNQCLSA-N 410.430 1.995 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1436660107 UCJYAPDRHSTQIP-JSGCOSHPSA-N 400.294 1.720 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1 1438601089 IYTOANNIXYTOBZ-QGZVFWFLSA-N 401.463 1.609 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCC[C@H]3O)cc1 1441667825 QVTKOAKDGTVUIV-RTAFMGCNSA-N 417.491 1.775 30 10 HDEE C=CCN(C(=O)C1=CN(C)S(=O)(=O)N=C1C)[C@H](Cc1ccccc1)C(=O)OCC 1447730016 MRQUONJABJWDAU-GOSISDBHSA-N 419.503 1.710 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CSc3ccccc3O2)cc1 1452274231 HITINDPAONMCSQ-HNNXBMFYSA-N 402.497 1.881 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CCS(=O)(=O)CC(C)C)c(=O)c1C#N 1457777123 AXUSCZZJRVHTRW-UHFFFAOYSA-N 418.313 1.630 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cccc(N=S(C)(C)=O)c3)CC2)c1C#N 1459034773 NMWCZWFIKSHZKV-UHFFFAOYSA-N 400.508 1.922 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c1 1460620445 LRFUADMUCNWICE-PMACEKPBSA-N 419.485 1.821 30 10 HDEE C#CCCN1CCC(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1465396773 PWPCVJUVLJYLPF-LJQANCHMSA-N 422.570 1.646 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccccc2C(F)(F)F)CC1 1469066621 OGPSFIADKFHUNL-ZDUSSCGKSA-N 418.441 1.561 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)C1 1470518990 ULLVZZFGNTYIOP-FQEVSTJZSA-N 400.523 1.870 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC12COC2 1471719979 QJYGMVCVPPKACC-KRWDZBQOSA-N 420.506 1.675 30 10 HDEE C[C@@H](Cc1ccc(Br)cc1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371260 PXVKFZGNTXIDEI-NSHDSACASA-N 417.263 1.845 30 10 HDEE C#CCSCCNS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1474991279 YCYAGEANWHEAFJ-QGZVFWFLSA-N 412.533 1.310 30 10 HDEE C#CCN(C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F)C1CCN(C)CC1 1477378233 UHJBYRNSDQUMQA-KRWDZBQOSA-N 401.433 1.299 30 10 HDEE CCCNC(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1501173135 PLNPRNYUIRQXQW-UHFFFAOYSA-N 409.494 1.682 30 10 HDEE C#CCCCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1507598208 CRURSYFSMIJTHX-APWZRJJASA-N 412.556 1.601 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@]1(OC)CCOC1 1507604124 XNIJDIGWMCMRTB-NRFANRHFSA-N 416.478 1.846 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC(C(N)=O)CC1 1507780223 XSHVHVVIRHUHJR-LBPRGKRZSA-N 416.320 1.612 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507831785 FFEZGRIGQOWUKX-GFCCVEGCSA-N 408.446 1.650 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1507849317 VZVNCUCEVCOJCW-UTKZUKDTSA-N 421.542 1.626 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507874024 OMMAMYXTNTXUTL-JKSUJKDBSA-N 408.934 1.625 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1508088025 RBAXIKSUBDVHNJ-VGSWGCGISA-N 424.505 1.283 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC(C)C)C1 1508112729 BXVIEEMCXQMNNE-JXFKEZNVSA-N 407.515 1.236 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512434460 LHAQULGUYYOYCL-LZICOFPGSA-N 423.477 1.482 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCN(C(C)=O)C1 1513873179 VJGOIJIVWSNOKS-OAHLLOKOSA-N 409.494 1.634 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1513977035 YZVRCENSHIITEY-QZTJIDSGSA-N 410.478 1.337 30 10 HDEE CCCCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1514448168 BLCLLSLPZGBEJJ-FQEVSTJZSA-N 417.535 1.993 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1516953139 ICHZELSCVSCJNS-QGZVFWFLSA-N 423.521 1.777 30 10 HDEE C#CCN(C(=O)[C@H]1CCOc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 1520934848 FVWPLMJTNDRXBQ-KGLIPLIRSA-N 412.305 1.964 30 10 HDEE Cc1nc2ccc(NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)cn2n1 1524001517 FYOVKAXHQQHNLR-INIZCTEOSA-N 403.402 1.753 30 10 HDEE N#CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccn1 1527051995 GRVHLIBLARJPKI-UHFFFAOYSA-N 409.471 1.799 30 10 HDEE Cc1nsc(N2CCN(C(=O)C(C)(C)NC(=O)COC(C)(C)C)CC2)c1C#N 1527234725 NTNNSTQLLRQMBL-UHFFFAOYSA-N 407.540 1.682 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C#N)c(OC)c2)cc1 1533611808 NEZSDVXLQQIADH-UHFFFAOYSA-N 416.455 1.585 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1534228290 RGWAALUHFITIGB-NSHDSACASA-N 416.297 1.097 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CC)C2=O)C(=O)OCC 1535092479 XYUAKXVKRYZQDC-CYBMUJFWSA-N 414.867 1.655 30 10 HDEE C#CCCCn1c(N2CCNC(=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1539141206 SWAZABVLHHAKAA-GASCZTMLSA-N 402.499 1.398 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCCNS(=O)(=O)CC 1539323705 JPLXCTRDSLZYRL-QGZVFWFLSA-N 407.540 1.312 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1CN(C(=O)OC(C)(C)C)C1 1539340227 IPGJMGNBFZPWJL-UHFFFAOYSA-N 404.515 1.743 30 10 HDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539998382 HFUVDLHCDHTGLJ-CVEARBPZSA-N 402.499 1.959 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1)C1CC1 1540109781 TXSIFJGQUAJINQ-IAGOWNOFSA-N 423.583 1.303 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(OC)CCOC1 1540164398 NTUZUEQHTJQTMV-FQEVSTJZSA-N 401.467 1.990 30 10 HDEE C=C[C@@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2Cl)CC1 1540267271 ZPPYSJKAQUWKAB-GFCCVEGCSA-N 423.716 1.482 30 10 HDEE COc1ccccc1[C@H](O)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728347 CWWNWOKYVBLWTH-IBGZPJMESA-N 415.471 1.133 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1540876138 IOFNHWMRJLLOBZ-HRAATJIYSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1540876486 SPEZHCULJPACFN-SFHVURJKSA-N 406.490 1.779 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCOC[C@@H]1C 1540899881 DDLZXBZGWFSEJY-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540905521 SSLUZRQUVJIRGY-ZDUSSCGKSA-N 409.478 1.514 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540908150 QJYJIUHLHYEWJN-KRWDZBQOSA-N 422.599 1.637 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1)N(C)C 1541840323 IBQQCVNVHRRPPG-AZUAARDMSA-N 423.565 1.925 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1541878533 CZNQVOOXFQVADN-XLIONFOSSA-N 421.505 1.514 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCNC(=O)C(C)C 1543317712 CRERZHJSAALFAQ-OAHLLOKOSA-N 411.514 1.126 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1544078095 AWYWTZLPXDKAHU-FGTMMUONSA-N 405.564 1.451 30 10 HDEE CCOCCOC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 1544372172 PRPTXICCWFAIFW-OAHLLOKOSA-N 409.508 1.269 30 10 HDEE C#CCCN1CCN(C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1544680509 NXKSFZJLURCAMU-JOCHJYFZSA-N 401.507 1.309 30 10 HDEE C[C@H]1N(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1545138820 FLGLTMRYRNJTQV-DOXHGZAWSA-N 400.483 1.686 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 1545985604 HLYIVJZNEFRVAW-MRXNPFEDSA-N 423.510 1.211 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCC(F)F)cc1 1555989397 JVMNHDNVLNKDHU-MRXNPFEDSA-N 416.432 1.909 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1557388571 YAYZKJKLLSQWEU-GFCCVEGCSA-N 410.345 1.737 30 10 HDEE Nc1nc(NCCS(=O)(=O)CC(F)(F)F)nc(C(F)(F)C(F)(F)F)n1 1559231058 XALJIDRMJBFKHW-UHFFFAOYSA-N 403.255 1.497 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(c3ccc(C#N)cc3)CC1)C2=O 1560077745 WNCBGOIDLKVBDT-UHFFFAOYSA-N 424.505 1.212 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2c2ccc(Br)cn2)CCO1 1561631475 FJIUQFAOMXVFIA-OCCSQVGLSA-N 401.286 1.450 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCN(C(=O)CC#N)CC3)=NO2)C1 1566317886 MFIPTOPPLRWPSD-HXUWFJFHSA-N 419.482 1.117 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)C1=O 1568439844 GOEUMPRUJMYOCF-JLTOFOAXSA-N 418.498 1.475 30 10 HDEE Cc1c(NC(=O)CCn2cc(C#N)c(O)nc2=O)c(=O)n(C2CCCCC2)n1C 1583387991 IBFZDKJWTUTEIZ-UHFFFAOYSA-N 400.439 1.163 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1587794034 ZIYFSYAIIWYRHL-HXUWFJFHSA-N 402.499 1.433 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCC#N)CCOC 1587848193 ZJTQFXFVMMOHQB-UHFFFAOYSA-N 419.489 1.972 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1587904222 BKQNHSFNRQDWBS-UHFFFAOYSA-N 404.434 1.397 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCS(=O)(=O)C1 1588200578 WLGTXBLYZHSJDH-HNNXBMFYSA-N 417.922 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1588741636 GHGQKSDSYPDYOS-QZTJIDSGSA-N 424.540 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ncc(CC)s2)CC1 1588752375 QZUSGPGPFIAJLR-MRXNPFEDSA-N 418.567 1.825 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1589048018 QTYPXYBTXDNMKZ-GOSISDBHSA-N 412.563 1.865 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1589117059 TZRUGLCJLCNBGP-CQSZACIVSA-N 403.483 1.674 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1594783514 CLHVZPGJLLDNHK-GOSISDBHSA-N 418.542 1.411 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1594802542 BZPVLVJEYCQYSJ-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCN(CC)CC1 1594949230 UPLDKBRIMDPCHJ-MRXNPFEDSA-N 415.542 1.654 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 1595584846 QTXBSPBSONMTTG-OAHLLOKOSA-N 407.492 1.779 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1596370507 VIAIUSYGZKQIAQ-UHFFFAOYSA-N 400.541 1.919 30 10 HDEE CCOCc1nnc(N2C3CCC2(C)CC3)n1CCN/C(O)=C1\N=CC=CC1=O 1616720957 NPNRPDUFKBJCDX-ISLYRVAYSA-N 400.483 1.862 30 10 HDEE N#Cc1ccc(OCCCN2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1619895917 REWJABDTLBCDPQ-UHFFFAOYSA-N 414.531 1.979 30 10 HDEE COC(=O)C1CC2(C1)CN(CCC(=O)N(C)CCC#N)C[C@H]2C(=O)OC(C)(C)C 1620571733 DTMIMZOXOONLAS-TZQQIIETSA-N 407.511 1.591 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635199 FSJJLIOAUSXSNA-YZVOILCLSA-N 418.544 1.747 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)cc1S(=O)(=O)NCC#N 1631432862 CBLXGECNAPZVGJ-SFHVURJKSA-N 421.519 1.094 30 10 HDEE Cc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1S(=O)(=O)NCC#N 1636069577 SQNDSQYIYTWSKK-GFCCVEGCSA-N 407.477 1.752 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)c1C#N 1636318402 XNTCGCGIUNPLRG-ZDUSSCGKSA-N 400.504 1.656 30 10 HDEE C#CCOCCNC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1637171001 RRDFCGLKICQNRO-UHFFFAOYSA-N 420.465 1.748 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1)c1cc[nH]n1 1637229639 HXQCASROBLMQIW-INIZCTEOSA-N 415.450 1.029 30 10 HDEE C=C(CC)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1638020312 LIZDZWWNQVNPMN-UHFFFAOYSA-N 407.536 1.691 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)CC1 1638134561 HXMDOWHETFYDFV-BZUAXINKSA-N 404.511 1.698 30 10 HDEE COC(=O)CC1CC(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1638314071 DREGFIQAAUAWLE-UHFFFAOYSA-N 419.503 1.417 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OC 1638401072 GEBVVMOFPKBSKN-GJZGRUSLSA-N 411.499 1.468 30 10 HDEE Cc1ccc(C(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1640005472 MQUGSQJWWAIAMG-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)cc1Br 1640110876 YJOYROLWALERKZ-GFCCVEGCSA-N 418.251 1.590 30 10 HDEE CN(C)C(=O)OC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1640314189 CBIATFYYAVMPNA-ZDUSSCGKSA-N 411.455 1.816 30 10 HDEE CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@@H]1CCN(CC(F)(F)F)C1 1643996352 VMMVLZZRINKTQZ-IAGOWNOFSA-N 403.493 1.637 30 10 HDEE Cc1nc(N2CCN(C(=O)c3ccc(C)c(B4OC(C)(C)C(C)(C)O4)c3)CC2)n[nH]1 1644241734 OTVKFSMKYDILDI-UHFFFAOYSA-N 411.315 1.683 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC[C@H]3C=NNC3=O)C2)C1 1647860125 VPODZJWOSQJBME-UAWGMYSWSA-N 403.483 1.401 30 10 HDEE COc1ccccc1[C@H](C)N(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1651996607 HAIZMDLELWCRDD-KRWDZBQOSA-N 424.501 1.780 30 10 HDEE COc1cc(C(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)ccc1C#N 1653299395 XGQJTMVJKZNGQD-OAHLLOKOSA-N 414.462 1.517 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC(N2CCCOC2=O)CC1 1655732921 JBXISRCDHHYCPI-UHFFFAOYSA-N 408.462 1.989 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)OC)ccc1COC 1662965070 MKGHMAXRDVVLNM-UHFFFAOYSA-N 411.476 1.585 30 10 HDEE CCOC(=O)CC1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)COC1 1666089120 GRMMRVKVSNYJBW-UHFFFAOYSA-N 421.244 1.460 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1682352603 PZMQQMZYAVICBM-KRWDZBQOSA-N 401.492 1.119 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1683204604 BZAGCHAQIZDYEP-UHFFFAOYSA-N 413.551 1.918 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1684556421 OMDVDGPGWYCTFX-GOSISDBHSA-N 409.494 1.406 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)C1 1685177386 SDNGNSMWCDEVFD-KRWDZBQOSA-N 414.506 1.269 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)Nc1cccc(C#C)c1 1689926049 HCRZVCYVRYQLLC-GOSISDBHSA-N 404.474 1.699 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1689946610 UEFLIERGRFJFEU-ZDUSSCGKSA-N 408.503 1.211 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@H]1CC[C@H](CO)O1 1689976683 UKTJTXHOANHPGJ-BBWFWOEESA-N 419.526 1.959 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689980095 LMJYOGVBNVJTAA-JKSUJKDBSA-N 423.583 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccnc1N1CCOCC1 1690029463 CIJPPQIHTCVVLT-LJQANCHMSA-N 406.490 1.482 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1nncn1C 1690040485 CWELUCUIFOWDBV-UHFFFAOYSA-N 403.446 1.356 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(C)COC1 1690106442 WNQDHNXKKCRZIP-UHFFFAOYSA-N 403.508 1.392 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1690181223 QRVSSQYAIUAOOX-HOTGVXAUSA-N 407.540 1.007 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1690312719 BCYDAPBQVANWTD-UHFFFAOYSA-N 417.514 1.490 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2cnn(C)c2)CC1 1690507275 IYQGLXYGXUJVBA-GOSISDBHSA-N 413.526 1.939 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nncn1-c1ccccc1 1690515053 DEFADNXJUXYSQI-AWEZNQCLSA-N 416.511 1.140 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690525579 KWNWVPNSPGGWHE-QZTJIDSGSA-N 404.559 1.737 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1691204208 DFMVULCEDWMGBM-QGZVFWFLSA-N 417.477 1.940 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cnnn1 1694262205 YWSSMLSMFLZVGD-ZWKOTPCHSA-N 407.482 1.626 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1705510686 VZFPOSOBHMYWLH-WBVHZDCISA-N 419.555 1.767 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1705522420 FCBPKCVABJHKNR-UHFFFAOYSA-N 409.494 1.187 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705522571 AHDDGWHKDMIIRY-UHFFFAOYSA-N 411.510 1.266 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1705560461 KUDRFKKYBBOIRF-ZDUSSCGKSA-N 408.553 1.411 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)[C@H](C)CC)CC1 1705635148 SAFBBOWZFVAATI-KNKQGSTJSA-N 419.570 1.747 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)CC1 1705903281 PDNGMEMKXCJWAO-UHFFFAOYSA-N 407.522 1.897 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1705944074 UPFDQZBHRQQBQN-DLBZAZTESA-N 420.583 1.449 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CN(C)C)c1 1706602969 FVXHXMBXFLRLDD-OAQYLSRUSA-N 413.501 1.968 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCO1 1706955468 BGJBQYNVUGQFBE-IAGOWNOFSA-N 404.515 1.012 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)c1cc[nH]n1 1722276923 JVLGOYIDVDPIHO-AWEZNQCLSA-N 423.477 1.573 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1722306500 KMSFXGNNGSSLAJ-IBGZPJMESA-N 414.554 1.619 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1722353438 VWZWITGJIAEULS-ZIAGYGMSSA-N 417.482 1.116 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCC(OC)CC1 1722415426 DHXCDBBMCVCZNJ-UHFFFAOYSA-N 416.570 1.749 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CC(C)(C)C2)CC1 1722432141 UAEJBEBFRJZGSU-HNNXBMFYSA-N 408.572 1.080 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC[S@](=O)C(C)(C)C)CC1 1722435436 MSTZPYPNVFMVOE-NDEPHWFRSA-N 400.552 1.643 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@@H]2CCOC2)CC1 1722449778 ZEOIUGXCFCUDOL-LJQANCHMSA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1722457795 NUIFFRKAHGNEIM-INIZCTEOSA-N 413.551 1.795 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCOCC1 1722471648 MEOZTOWONXLLAS-OAQYLSRUSA-N 408.506 1.923 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccsc3)nnc2N(C)C[C@H](C)C#N)CC1 1722796179 IVEOXJRYHHHDDQ-MRXNPFEDSA-N 415.567 1.690 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cccc(F)c1 1723619953 FJNOWZAYRGILCX-KRWDZBQOSA-N 400.458 1.917 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@@H]1CCCO1 1727568451 GQVHSRLLQSBLAA-KRWDZBQOSA-N 412.494 1.961 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1729717289 BIYARLBRUHPRIU-KRWDZBQOSA-N 418.505 1.755 30 10 HDEE C=CCOCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1736311333 CELAFFXMFHXGMO-UQZKUAJDSA-N 404.507 1.126 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1740622420 XZSHOOISGUPIRI-ROUUACIJSA-N 417.535 1.638 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(OC)CCOC1 1740631879 XYPDCQHXPUAUCP-JOCHJYFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1740643373 HJECBMBQVDUWPE-SFHVURJKSA-N 409.465 1.984 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2n[nH]c(C)n2)CC1 1740697980 LBGVOMWOVOYZBK-UHFFFAOYSA-N 411.539 1.058 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740719818 LUKUTOOKMCAWMJ-KRWDZBQOSA-N 413.547 1.933 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1740965702 LDKCLBOBPFLNRJ-QGZVFWFLSA-N 416.526 1.271 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2nncn2CC)C1 1740983463 JKNHPPSBXVMJRV-QGZVFWFLSA-N 411.514 1.581 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740995665 UBVHDYAZUMFCFJ-CABCVRRESA-N 406.556 1.298 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749221072 XXYIHDXAADIKPS-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1749286919 VGBVJXGLHMUTCS-KUHUBIRLSA-N 422.555 1.056 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(NC(C)=O)CC1 1749420209 ACEZBCSPRUPPOL-UHFFFAOYSA-N 421.509 1.992 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1C[C@]1(O)CCS(=O)(=O)C1 1749530947 ACPCDIXFJSEKOH-HXUWFJFHSA-N 415.519 1.454 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N(C)C)C1 1749703366 HEJONPYRBDISAK-MRXNPFEDSA-N 415.494 1.832 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC)C2)C1 1749712979 OEEOMDPYNRSFNG-RCCFBDPRSA-N 423.583 1.303 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1750060167 DPJIKVGMYZHGCP-MRXNPFEDSA-N 424.509 1.924 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCCc1ccccc1 1750925909 BGQHTLNAQBSHSH-UHFFFAOYSA-N 423.521 1.515 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1751094196 GCBFDWZIEZYNTP-KBPBESRZSA-N 405.503 1.834 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1CCc2nccn2C1 1751199200 JCBULUGMTFRMJR-QLFBSQMISA-N 420.543 1.086 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CCC1 1760110381 CVYNRRPDLKZVLM-CFJPQMKISA-N 403.508 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1760113566 ACPNFJGQLJDTNY-LPHOPBHVSA-N 403.490 1.980 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1760143217 ZFKHUROGQFROSR-DYESRHJHSA-N 403.527 1.696 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccs1 1760210978 ZXGKWWJKVZNPLS-CQSZACIVSA-N 406.537 1.050 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)COC 1760249271 YPMGEQDKAVBZMJ-HNNXBMFYSA-N 410.478 1.962 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@](C)(O)CCOC)CC1 1760263141 PGRZAUJJPVOZAA-FQEVSTJZSA-N 403.552 1.473 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1760278735 FNQAXLSZDSDVMT-SFHVURJKSA-N 415.567 1.346 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H]1CCOC1 1760280590 RSJHPDZCLNRGEH-OAHLLOKOSA-N 424.530 1.784 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760421696 XSBMGYPWEGPVKP-UHFFFAOYSA-N 424.571 1.342 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760441315 DFEGFNHHUSUJMW-UHFFFAOYSA-N 418.567 1.996 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1760469198 XZRBXKHPSVAYHW-HOTGVXAUSA-N 412.556 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccsc2)CC1 1760521163 LKBKKMVGPZSIEE-INIZCTEOSA-N 414.535 1.977 30 10 HDEE Cc1cc(Cn2c(CNC(=O)c3cccs3)nnc2N2CCO[C@H](C#N)C2)no1 1761691106 BMHSMUURNTYFND-CQSZACIVSA-N 413.463 1.343 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](COC)OC)C1 1767607382 IACYHGDYGLIKSI-UWJYYQICSA-N 412.494 1.441 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(C)C)C1 1767843040 AYEHIHHEKRJRAS-QGZVFWFLSA-N 402.524 1.848 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)cc1OC 1768531698 IYLPGLZXGGSJGB-GOSISDBHSA-N 424.505 1.953 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)C)CC1=O 1769899163 AERUZXWARWSQHZ-UHFFFAOYSA-N 412.494 1.537 30 10 HDEE COCCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1771254118 GCBWYOUXTKBBFG-RDJZCZTQSA-N 401.467 1.927 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1772564791 OYQNNXVXZTVXDM-HNNXBMFYSA-N 409.556 1.641 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)cn1 1850050441 UMGPRKLSDFOUES-KRWDZBQOSA-N 424.885 1.534 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)NCC#CCN1CCCCC1 1850264982 UUGQPVOTKOGDSA-UHFFFAOYSA-N 401.891 1.363 30 10 HDEE C[C@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1Cc2ccccc2C1=O 1851535722 CJBQOUHDEWPOJT-SNVBAGLBSA-N 403.382 1.901 30 10 HDEE Cc1nn2c(C)c(C(=O)Nc3cc(N4CCN(C(C)C)CC4)ncn3)cnc2c1C#N 1851773830 OQQUATHFJWDIJJ-UHFFFAOYSA-N 419.493 1.791 30 10 HDEE O=C(C1CN(c2ncc(F)cn2)C1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852066435 VIYRNFXYQHATMY-UHFFFAOYSA-N 409.365 1.313 30 10 HDEE Cn1cnnc1S(=O)(=O)C1CN(C(=O)c2ccc(-c3ccc(C#N)cc3)cc2)C1 1853113686 UDOJMQKLRIIWAZ-UHFFFAOYSA-N 407.455 1.652 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CCC3=O)n2)cc1 1853688658 ZSVWPHDAXYVLNT-QGZVFWFLSA-N 407.478 1.585 30 10 HDEE CC(C)N1CC[C@H](N2CC(=O)N(C(=O)c3ccnc(C#N)c3)c3ccccc32)C1=O 1854016865 JVNLRXGVOSGZNE-IBGZPJMESA-N 403.442 1.956 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3cccc(Br)c3)C2)CC1=O 1854202736 OHDISKCRFSBYOK-MRXNPFEDSA-N 405.296 1.608 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854421026 GEGUQOSLPDOYCS-QGZVFWFLSA-N 424.567 1.476 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)CCC(F)(F)F)CC2=O)cc1 1854499429 DUMIBTPDZROTBU-UHFFFAOYSA-N 417.409 1.444 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@@H]1C 1854726278 RRWXNFFLDDGQBD-RDJZCZTQSA-N 423.510 1.614 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1855069060 KFXZZHQEUPPIAJ-LAUBAEHRSA-N 400.454 1.121 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(C)cc3C)[C@@H](C)C2=O)CC1=O 1855217956 DUUQXAFFGLDSQA-ZWKOTPCHSA-N 411.502 1.580 30 10 HDEE Cc1ncn(CC(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)c(=O)c1C 1855472619 YKLJFJCTOUMJQU-ZWKOTPCHSA-N 411.506 1.394 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)[C@@H](C)C2=O)CC1=O 1855546375 GRYBKDOAAPKJCK-HOCLYGCPSA-N 417.893 1.617 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)c3nccnc3N3CCOCC3)C2=O)CC1 1856544664 QUIJBVQRGLGSCE-SFHVURJKSA-N 413.522 1.877 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1)[C@H]1CCS(=O)(=O)C1 1856664319 LPLGCIQRWCPDSC-YJBOKZPZSA-N 418.519 1.230 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4ncccn4)C3=O)CC2)n1 1856966947 JDSLKIUYPZFPEP-KRWDZBQOSA-N 406.446 1.275 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)COc3ccc(Cl)cc3)C(=O)C2)C1 1857144646 LINXQIIXPASVJQ-KRWDZBQOSA-N 404.898 1.768 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)C1 1857381914 WIMLWQXLDOYCGL-UHFFFAOYSA-N 412.490 1.986 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@H]2CCn3cnnc3C2)CCN1Cc1ccc(C#N)cc1F 1857423988 OBPMSTNIYNZXLS-HNNXBMFYSA-N 410.453 1.501 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)c3ccncc3F)C2)C1 1857468342 AWFVPKQZXSXDFZ-AWEZNQCLSA-N 409.421 1.629 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)CCCc1ccc2c(c1)OCCO2 1866789315 LCHZOGLIFLSNBS-GOSISDBHSA-N 409.442 1.768 30 10 HDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)cc1 1869931689 DYHRUPDLLSZEDU-QGZVFWFLSA-N 401.488 1.871 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccn1C 1874277442 SIQBPCBOJRSSLM-NPNVKNKFSA-N 418.523 1.878 30 10 HDEE C=CCN(CC=C)C(=O)c1cc2c(NCCNC(C)=O)ncnc2n1CCCOC 1875223259 NVZOGKOFUIZGLS-UHFFFAOYSA-N 414.510 1.830 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015325936 JBTUEJIISVSTBU-CQSZACIVSA-N 423.319 1.545 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)C[C@H]1CCCO1 2157047421 LHAJZMLXOBETHE-CYBMUJFWSA-N 401.359 1.988 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174781991 LIBWZMSRDOXMFV-CABCVRRESA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC[C@H](C#N)C1)CC(F)(F)F 2174787180 REYJTNQPHNPXKW-VXGBXAGGSA-N 414.450 1.902 30 10 HDEE Cn1nnc(Br)c1CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2199700868 TUKZQBVYKAAWTG-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2205592655 YAQRIYPKIXEPSU-KBPBESRZSA-N 419.569 1.577 30 10 HDEE C[C@@H](NC(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1)S(C)(=O)=O 2241168409 GHGWMKAAZZHIEC-VIFPVBQESA-N 403.697 1.546 30 10 HDEE C[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2243424041 KBVOMHHFWQXTES-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE C[C@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247815854 HCHCDUDDNSSLCN-OAHLLOKOSA-N 413.331 1.365 30 10 HDEE C[C@@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247823597 QCSBYQPIPNBCGB-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828450 NWZLYTKZNRYQOB-CRAIPNDOSA-N 410.327 1.959 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247922787 NJRHBDYSWQFSKM-UHFFFAOYSA-N 408.311 1.732 30 10 HDEE CN(CCCOCc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247930077 RBJPDBZIRPSFRT-UHFFFAOYSA-N 414.315 1.793 30 10 HDEE Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255824129 BVPFULCWVURDAX-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)O)N(C(=O)NCCC#CBr)C1 2258963394 SFYDQMHSMHMCRP-NWDGAFQWSA-N 418.288 1.884 30 10 HDEE CN(c1cccc(C#N)c1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270503837 KOSXHHSMSCZRLD-KRWDZBQOSA-N 417.443 1.704 30 10 HDEE CN(Cc1cccc(I)c1)S(=O)(=O)N1CC[C@H](C#N)C1 2280332067 YXPPFFYMAIQMTA-GFCCVEGCSA-N 405.261 1.813 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CCS(=O)(=O)C3)c2Cl)OC1(C)C 2281948603 YGIIGGAVVQKJIC-SNVBAGLBSA-N 419.761 1.865 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2282008517 KDKSPFCRJGXCNB-UHFFFAOYSA-N 402.347 1.385 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](CCN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314848 GFJPKBSAXWLROV-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC(C)CN(C1CNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331184 KJRXXMPGIXJMFT-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@]3(=O)CC[C@@H](CN)C3)c2)OC1(C)C 2282343707 HETJMWVKCXLCTJ-FTJNGKRUSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@H]2C(F)(F)F)OC1(C)C 2282414857 YNIKVJYHZNOXCW-RKDXNWHRSA-N 412.264 1.813 30 10 HDEE CN(C[C@@]1(F)CCOC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282420554 AXLVVUOUMLLDPR-INIZCTEOSA-N 405.322 1.796 30 10 HDEE CN(CCC(N)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282498439 DIKUGJRLVQIVTP-UHFFFAOYSA-N 402.709 1.135 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282507480 IEOTWNKKLPDQSK-CANCMXDXSA-N 401.359 1.172 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](O)C3)c(Cl)c2)OC1(C)C 2282830228 QTAFBKDCGRYGAF-CHWSQXEVSA-N 401.721 1.831 30 10 HDEE CO[C@@H]1CC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838736 UCNYQBZWSAIIEX-WCQYABFASA-N 402.347 1.287 30 10 HDEE CN([C@H](CN)C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870762 XIMIMEWOEBQOHR-CQSZACIVSA-N 400.375 1.546 30 10 HDEE CC1(C)OB(C=CCNC(=O)Cc2csc(NS(C)(=O)=O)n2)OC1(C)C 2284014950 HMEKSQIDGMQEBA-UHFFFAOYSA-N 401.319 1.361 30 10 HDEE CC[C@@H]1C[C@]1(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400902 CKSJKAFMVPYZJM-QLJPJBMISA-N 401.315 1.579 30 10 HDEE C[C@H](CC(=O)O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284402312 IJXDFUMDCFUUAG-LLVKDONJSA-N 403.331 1.672 30 10 HDEE C[C@H](C(=O)O)N(C1CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284417939 RRNJKYNFBFYXBR-SNVBAGLBSA-N 401.315 1.674 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(C)CCC[C@@H]3O)s2)OC1(C)C 2286913146 KTZOEKGNSVGSSS-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CO[C@H]1COCCN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2351660716 VUJZSHUJGHOSAF-CYBMUJFWSA-N 413.121 1.995 30 10 HDEE C=C[C@]12C[C@H](CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2351702101 DBNAWPHJKCJZOR-ABSDTBQOSA-N 422.503 1.825 30 10 HDEE CCCN[C@@H](C#CC1(OC)CCC1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2362704661 KQCCQHGSXVTVJF-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)(C#CC(C)(C)S(C)(=O)=O)C[C@]2(CCCO2)C1 2365192926 XTNULMSKKMATMU-RTBURBONSA-N 401.525 1.734 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367798416 ZMWWTAMOKDHTMX-OAGGEKHMSA-N 401.525 1.590 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(COC)NC(=O)OC(C)(C)C 2367806586 LPSDTYOPFINYJK-YJBOKZPZSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367816929 JMSDTMXXVSWHSU-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE CC[C@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367817111 RHBYROYUMWKBHE-BEFAXECRSA-N 400.541 1.163 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)c1 18008321 IHHJIYXNNJAVFH-UHFFFAOYSA-N 403.435 1.448 30 10 HDEE C#CCn1/c(=N\C(=O)Cc2ccc(F)cc2)sc2cc(S(N)(=O)=O)ccc21 101134079 HBHKDHGOEJGKSV-DYTRJAOYSA-N 403.460 1.793 30 10 HDEE N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 103651873 VIIUUTNNWOPTEG-QRYGKDNSSA-N 404.342 1.904 30 10 HDEE N#Cc1ccccc1[C@@H]1N[C@H](C(=O)O)[C@H]2C(=O)N(CCNCc3ccccc3)C(=O)[C@H]21 247639583 GIPXLFLWZFPTAX-FYQPLNBISA-N 418.453 1.047 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@@H](O)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 301054537 AAMGSJIEPUHTOK-NDERQFLOSA-N 418.486 1.099 30 10 HDEE COc1nc(N2CCN(C(=O)c3ccc(C#N)nc3)CC2)ncc1Br 430667070 PIHUQJDJUDREEY-UHFFFAOYSA-N 403.240 1.477 30 10 HDEE Cn1cc(C#N)cc1C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 433801855 MKQPETYJRRMAKQ-UHFFFAOYSA-N 408.867 1.823 30 10 HDEE CC(C)Oc1ccc(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)cc1C#N 435557054 PWBFZINUMSQSPK-UHFFFAOYSA-N 415.494 1.354 30 10 HDEE CO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 440234459 KGYSEJLHDMYCLW-IAGOWNOFSA-N 406.508 1.388 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2C1=O 446335490 YNDCGZLLHMKJAS-RPLLJCPNSA-N 419.437 1.006 30 10 HDEE Cc1nn(C)c(N2CCN(CC(=O)N3c4ccccc4NC(=O)C3(C)C)CC2)c1C#N 472165641 YRMFRTJJJCIXPO-UHFFFAOYSA-N 421.505 1.486 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)cc1 478309364 MIUVIXUXKXRPJF-HOTGVXAUSA-N 410.492 1.334 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](COc3ccccc3)C2)cc1 484465532 HRMKUVVQSWTLMK-HXUWFJFHSA-N 423.469 1.847 30 10 HDEE Cc1cnc(N)c(S(=O)(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)c1 500705089 NTVZXWKJFZJAFG-UHFFFAOYSA-N 408.487 1.903 30 10 HDEE C=CCN(C(=O)CN1C(=O)NC2(CCCC2)C1=O)c1nc(C(=O)OCC)cs1 501940218 RNALNOCYPYIDHE-UHFFFAOYSA-N 406.464 1.703 30 10 HDEE N#C[C@@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 505983322 ZQMJFMNIMALRRD-OAHLLOKOSA-N 418.475 1.187 30 10 HDEE Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(c2ncccc2C#N)CC1 508763325 LVTSSEWDDFIJGK-UHFFFAOYSA-N 423.502 1.479 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCNS(=O)(=O)c3ccccc3)cc2C1=O 520022439 KFLIOQLFSNEWQM-UHFFFAOYSA-N 413.455 1.177 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@H]3CN3CCOCC3)CC2)o1 530490576 VLCAWICGFRDFSY-SFHVURJKSA-N 401.511 1.784 30 10 HDEE Cn1cc(C(C)(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cn1 541408291 HDQMJIRFAKOKGA-UHFFFAOYSA-N 401.492 1.102 30 10 HDEE COCCOc1ccc(C#N)cc1NCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1 544081022 BBHMZQJGCUAQFI-QGZVFWFLSA-N 423.535 1.667 30 10 HDEE C=CCNS(=O)(=O)c1cccc(-c2nc(-c3ccnc(S(C)(=O)=O)c3)no2)c1 544676098 KRDCAQQTXAIEJV-UHFFFAOYSA-N 420.472 1.666 30 10 HDEE CCc1ccccc1NC(=O)CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 544881516 HTQMHKSQNSTZEK-UHFFFAOYSA-N 406.490 1.393 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@H]2CCOC2)cc1 549682227 VINIRVQUKYSOFX-MOPGFXCFSA-N 424.505 1.286 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(CN4CCOCC4)cn3)C2=O)cc1 576512367 YXFAEYYQEGVPNY-NRFANRHFSA-N 419.485 1.316 30 10 HDEE N#Cc1nccnc1OC1CCC(NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 585355665 NCOYCKMUWXWHAO-UHFFFAOYSA-N 405.414 1.451 30 10 HDEE Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)ncn2)n1 585477465 ZKLWWRARUFDWOE-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CC(=O)NCC(C)C)cc21 586311931 CLTLQAGLQRZTAI-GMYLUUGSSA-N 406.504 1.690 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586840944 BIUCKJHUMCMHMF-UHFFFAOYSA-N 403.435 1.175 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)cc1 589602718 YKLIJFDYRWJZQV-UHFFFAOYSA-N 402.476 1.615 30 10 HDEE CCN1C(=O)[C@@H]2CN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CCN2C1=O 610605566 CSZPBFBVRYMZFL-INIZCTEOSA-N 403.870 1.555 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 670221462 ITQXWGBDOGPVFF-SFHVURJKSA-N 424.505 1.948 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\[C@H](C)c1cccs1 730143766 DTZDCQHLIJKSIT-SMSQPADPSA-N 412.581 1.823 30 10 HDEE CC(C)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 730144954 UXBJOJNPHMFUSM-HLGQQVFSSA-N 405.568 1.648 30 10 HDEE N#C[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)CCN1C1CC1 732648783 ZUOMKYXRCYWNJU-HNNXBMFYSA-N 408.549 1.274 30 10 HDEE N#C[C@@H]1CN(CN2C(=O)N[C@@]3(CCCN(Cc4ccccc4)C3)C2=O)CCN1C1CC1 732672091 CSXBJCXNFYZFIL-NFBKMPQASA-N 422.533 1.203 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732675473 WFLRWEXDNPYIRV-HNNXBMFYSA-N 407.496 1.661 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O)c1ccc(C#N)cc1 740200221 GLIXXRILWQSVBU-SFHVURJKSA-N 414.439 1.951 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)OC)c2ccc(C#N)cc2)cc1 740211557 RUQGEIDVPWPBSP-SFHVURJKSA-N 412.423 1.541 30 10 HDEE CN(C)c1cc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2ccccc2n1 745812526 AIODFOSBKYYBTJ-VXPUYCOJSA-N 408.462 1.626 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnc(CC(C)C)s2)c1=O 758079223 HFLLYSYKTDXDPX-UHFFFAOYSA-N 414.556 1.226 30 10 HDEE C#CCN(C(=O)Cc1cccc(I)c1)[C@H]1CCS(=O)(=O)C1 760430277 YKVZFWLQXMVUPU-AWEZNQCLSA-N 417.268 1.483 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H](O)c1ccc(C#N)cc1 763502331 TZZBBZIOIFLYPS-GOSISDBHSA-N 402.495 1.603 30 10 HDEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCCOc1ccc(C)cc1 765595295 IGIKGHOEXSTLBF-UHFFFAOYSA-N 410.430 1.787 30 10 HDEE CCOC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 769849491 LOMRQXLMZBOAMQ-OAHLLOKOSA-N 417.281 1.929 30 10 HDEE CC(C)(C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)c2ccccc2C1=O 770914187 QUEMMVPHENWFAM-UHFFFAOYSA-N 417.487 1.981 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 781832316 AYTNJQMTFNWOAY-HEHNFIMWSA-N 419.511 1.682 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)n1 788814064 TVLMAEBINGJPQU-QGZVFWFLSA-N 410.474 1.696 30 10 HDEE C#CCN(c1nnc(-c2cc(Br)c[nH]2)n1CC)[C@@H]1CCS(=O)(=O)C1 812037051 JPPDZUYJFRNWOJ-GFCCVEGCSA-N 412.313 1.682 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 816691511 SRFVNUXTEFHOQC-RISCZKNCSA-N 400.262 1.952 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 849579795 SGWUVKKGMRXOQE-ROUUACIJSA-N 404.478 1.855 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1128907410 LDOLTHHVLUISAL-UHFFFAOYSA-N 405.524 1.887 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC[C@H]3CCOC3)CC2)cc1 1128942684 PPXGOAFRTIVBPG-KRWDZBQOSA-N 405.520 1.892 30 10 HDEE CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1136107739 PHQFROOSPQTVEJ-IBGZPJMESA-N 407.474 1.959 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)c1 1141836629 RGTXQCXAFPCNIY-UHFFFAOYSA-N 418.519 1.237 30 10 HDEE CSCC[C@H](C(=O)NCC#C[C@@H]1CCCCO1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1158986774 RHDFDFMHWDQQPY-BSDSXHPESA-N 406.548 1.972 30 10 HDEE CN(CCN(C)C(=O)C1(C#N)CCSCC1)CCN1C(=O)c2ccccc2C1=O 1160334708 XQBYOORUOBTGEU-UHFFFAOYSA-N 414.531 1.710 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)c1 1178597939 MSSMVYCSZJLTQA-RLLQIKCJSA-N 421.515 1.519 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757517 SOFQUKOJUCRAPD-DOXZYTNZSA-N 411.524 1.633 30 10 HDEE N#Cc1cncc(N2CCN(C(=O)c3ccccc3I)CC2)n1 1184964953 FDUPUZYBAVYNGO-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 1193949943 VAOXZEYKSYKULD-MRXNPFEDSA-N 419.425 1.434 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](c2ncc(C(=O)OC)s2)C1 1224764566 WNBUPQCCLFVXOP-LBPRGKRZSA-N 401.510 1.420 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286396345 PJWXVQKOXKTIRK-SCTDSRPQSA-N 424.567 1.502 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CC1(OCCOC)CCOCC1 1286408458 IEUSPBSJGPKEOP-UHFFFAOYSA-N 423.517 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)CC 1286415979 OHOWSTDEYCVNPW-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)N(C)C)CCCC1 1286433052 IZBCAEQOMAHAOG-UHFFFAOYSA-N 400.527 1.622 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ncc(CC)s1 1286465688 QTAADWVCAKSVMI-OAHLLOKOSA-N 402.524 1.577 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2oc(CC)nc2C)CC1 1286472855 WDRIDQGXPVAYFD-KRWDZBQOSA-N 416.526 1.664 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1286479238 GHEOBIXWEZNHRH-WOJBJXKFSA-N 400.571 1.658 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)NC(=O)OC(C)(C)C)CC1 1286485627 RTQPRRABNJYQHL-IAGOWNOFSA-N 418.542 1.798 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286497105 MXKWBJSLBFIJEH-DNVCBOLYSA-N 407.540 1.227 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC 1286581258 HGIOWAMPKRZHMM-HZPDHXFCSA-N 411.572 1.887 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1286716573 PNYDTOWOXDGGHN-RTBURBONSA-N 405.543 1.881 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1cc(Cl)cn1)C1CC1 1286732111 KDQAWKRBXLPHCY-LBPRGKRZSA-N 413.935 1.593 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCS(=O)CC1 1286817352 TUPKIVQHDWTWFK-UHFFFAOYSA-N 424.548 1.123 30 10 HDEE CC(=O)NCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1286952155 MICBEHSJNPFNOM-AWEZNQCLSA-N 404.421 1.402 30 10 HDEE CC(C)COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287841376 GWEHEABIKHLBLB-ZWKOTPCHSA-N 415.542 1.468 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2CCOC2)CCOC1 1288321236 GYZQRGQJEHTSJZ-SQGPQFPESA-N 405.499 1.474 30 10 HDEE CN(C)CCOc1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1289437119 UTCPEJYYWIVLAU-OWQUAZCHSA-N 403.504 1.037 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2noc(C(F)(F)F)n2)s1 1297166635 QQIIXSZHCALVRJ-UHFFFAOYSA-N 410.399 1.473 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC2(O)CCOCC2)CC1 1300724969 DVDRQWOTGDJSHW-UHFFFAOYSA-N 417.554 1.374 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(=O)NC(C)C)CC1 1301075980 WJHFKNHGDVSBAW-UHFFFAOYSA-N 421.509 1.992 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301216648 OQQPWZOFLBSVHB-MRXNPFEDSA-N 424.571 1.494 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCCCC)C1 1301491794 ZCMPHFAOZKIMSP-INIZCTEOSA-N 413.526 1.708 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1CC1CCS(=O)(=O)CC1 1301967106 AQUZXPNHEGEYRB-HUUCEWRRSA-N 413.544 1.565 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)C(=O)NCC2 1302171860 HZJODDRYPRZFBR-QGZVFWFLSA-N 408.506 1.930 30 10 HDEE C[C@H](C(=O)N1CCC[C@@](O)(c2ccc(Br)cc2)C1)n1cnc(C#N)n1 1304264267 MSZUIQCAOBZDST-PXAZEXFGSA-N 404.268 1.983 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCS(=O)(=O)C2)o1 1304317909 CMLKMHLETDINMH-RTBURBONSA-N 419.507 1.526 30 10 HDEE Cc1csc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)n1 1304615248 BKFFUOVVOQIWPH-OCCSQVGLSA-N 403.512 1.714 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)C1CCN(S(=O)(=O)c2ccccc2F)CC1 1305000397 JBBSWTXKHFZORE-KRWDZBQOSA-N 408.495 1.915 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1305083370 OIZJHLWNYUPABX-OFGXNVERSA-N 408.466 1.496 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(S(C)(=O)=O)CCCCC2)c1 1309688979 RCKWVJODCUEQNT-UHFFFAOYSA-N 414.549 1.628 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@H]2CCC[C@H]12 1314558734 LWIAJOHOGZNLOU-IRXDYDNUSA-N 414.535 1.991 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1316252826 ZENXGOPOULGUGG-MRXNPFEDSA-N 414.466 1.155 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CCN2CCC(C(N)=O)CC2)cc1 1357633711 AQBXYCWYQXRKFG-FQEVSTJZSA-N 400.523 1.836 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)N1CCOCC1 1358896323 BCBKGYFNYIMVQO-SFHVURJKSA-N 411.506 1.791 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCC(=O)NC 1358927942 OMFVKCBLFWRBDN-UHFFFAOYSA-N 407.478 1.970 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cccc(C)c12 1358938419 ANYFTLFKNZBYCB-HNNXBMFYSA-N 414.535 1.990 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1csc([C@H](C)OC)n1 1358968440 LVTCEKQYLXXLKH-AWEZNQCLSA-N 400.508 1.701 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(OC)CCOC1 1358989396 ARKMNNVKBAFZNO-QHCPKHFHSA-N 422.485 1.985 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1359057448 ZLGJSWIKYOZAGE-ZWKOTPCHSA-N 405.568 1.891 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCOC1 1359256846 RKCZINGCWYBUCI-UGKGYDQZSA-N 409.490 1.998 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCO[C@H]1C 1359282911 WUHPBVNPOOODHB-FXAWDEMLSA-N 404.515 1.318 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)C)CC1 1359303895 FBYZYRZUXFNLJR-UHFFFAOYSA-N 404.515 1.097 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCCN(S(C)(=O)=O)CC1 1359308979 DSVSOHNMMILIPG-UHFFFAOYSA-N 405.524 1.671 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1437881144 YNICXETVBWVNKO-HXUWFJFHSA-N 415.515 1.504 30 10 HDEE C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1441893520 QMNZDNRGEJDGKC-IPOWPFSDSA-N 408.480 1.715 30 10 HDEE C[C@@H](C#N)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1447730136 RIFRCHOJJRGDMQ-DJJJIMSYSA-N 406.442 1.797 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1455908935 BEVRLPDGMZDSCB-APWZRJJASA-N 420.473 1.903 30 10 HDEE C=CCN(C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCS(=O)(=O)C1 1459686754 MWJTULALQQNYEL-HZPDHXFCSA-N 400.541 1.830 30 10 HDEE CCN(CCS(C)(=O)=O)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1463354012 FXUHNHOBVZFZMN-UHFFFAOYSA-N 413.290 1.515 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 1464031665 RZHIYRPREPTQOU-UHFFFAOYSA-N 422.503 1.614 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[C@H](C)N1CCOCC1 1464974563 QZVKUBLXVJKLBP-JTJPCEKRSA-N 420.554 1.999 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(OC)cc(OC)c2)c1 1465897172 ZNMZQDMZFKBXFJ-HXUWFJFHSA-N 417.483 1.964 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCC2(CC1)NC(=O)NC2=O 1467877242 LTKMXQGDQCCYSW-BJCXPLBRSA-N 414.890 1.659 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1468476938 ATHBVGWPRKHDRP-JTSKRJEESA-N 413.474 1.989 30 10 HDEE Cn1cc(CNC(=O)NCCC2(CS(C)(=O)=O)CC2)c(-c2ccc(C#N)cc2)n1 1469756121 KCAILMYSSUWMHY-UHFFFAOYSA-N 415.519 1.973 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2cccc(C#N)c2)cc1 1470062742 NVVSTROMLHYUEU-AWEZNQCLSA-N 401.488 1.882 30 10 HDEE Cc1c(C(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)cnn1CCC#N 1470456027 KUZPNYLHAHOKTO-SFHVURJKSA-N 402.476 1.722 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1c2ccccc2C(=O)N1C 1471130574 QBGCQKHVATUAFY-UGSOOPFHSA-N 412.471 1.168 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1COc2cccc(Br)c2C1 1471441381 ZLEFYXULUCDTPK-FJTVPBJSSA-N 420.263 1.785 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CC1 1471936010 QLMGUKVOIDVELM-INIZCTEOSA-N 409.552 1.989 30 10 HDEE C#CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)CC1 1475426996 ORCHLITVYRAQNP-UHFFFAOYSA-N 406.323 1.887 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1Cc1ccc(O)cc1 1499164029 GMBCFTCWZISWGU-OAHLLOKOSA-N 404.478 1.971 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1502210558 RCDAQSASXMQIQH-UHFFFAOYSA-N 401.452 1.119 30 10 HDEE CN(Cc1ncnn1CC(F)F)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1503518730 DQPYTQHNHCPKOP-GFCCVEGCSA-N 418.408 1.788 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(-c3cnccn3)n2CCCCCO)CC1 1505320413 YTVILNQTNISQKY-UHFFFAOYSA-N 419.493 1.491 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1CC1(O)CCS(=O)(=O)CC1 1507525894 JNKYGIBOODPUKT-CQSZACIVSA-N 422.938 1.996 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C(C)=O)CC1 1507540470 GXXILUOVMGVQMV-HNNXBMFYSA-N 415.567 1.256 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1507544806 CLZVNPKMBFAZNM-KUHUBIRLSA-N 422.482 1.004 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507635522 WVDDVUAVMVTPGR-BZSNNMDCSA-N 408.568 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CC12CCOCC2 1507703525 WNCQAECMGHSHFW-QGZVFWFLSA-N 401.511 1.417 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CCCO2)CC1 1507716866 VGPPCMSLZWHVAO-NRFANRHFSA-N 402.543 1.521 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCC(=O)N(CC)CC)CC1 1507724180 JKOZZDSTOUUWNV-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1507791182 ISUWXANWQLIHRS-ZACQAIPSSA-N 400.483 1.224 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSCC1 1507797459 LQOGPEKMICYTAX-PMPSAXMXSA-N 412.581 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1508080091 KCUBXVPWHCLAPX-HNNXBMFYSA-N 420.539 1.210 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2nccs2)C1 1508080491 BUKBKBCKBAUFLM-OAHLLOKOSA-N 413.507 1.620 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@H](C)CC(N)=O)nnc1C1(c2ccccc2)CCC1 1508094117 NCHHMBKYOHZMPE-MRXNPFEDSA-N 410.522 1.750 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(C(N)=O)CCCC2)C1 1508131939 PFIZVRXSMDQSQI-INIZCTEOSA-N 416.526 1.228 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)CCCS1 1510187966 BFGPUSZHACNRRX-APHBMKBZSA-N 416.548 1.616 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccc(F)c1)N(C)C 1516606508 AFPYZRUQQJJOHZ-ROUUACIJSA-N 402.474 1.985 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)c1 1530808357 HMBDHAULHZLXHG-PMACEKPBSA-N 408.502 1.814 30 10 HDEE Cc1cc(F)ccc1N(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1534436416 FEUCIROTBGYKBP-UHFFFAOYSA-N 420.466 1.664 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1536467285 MGBYRPWQQBJFAQ-INIZCTEOSA-N 424.548 1.512 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CCO1 1538843823 BUOASSKNABSJFM-KRWDZBQOSA-N 408.252 1.706 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)n1 1538916595 HCEBBROPACYMDL-UHFFFAOYSA-N 423.535 1.402 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1539104060 BEVKUTVJCKBGCM-UHFFFAOYSA-N 421.509 1.685 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1539125594 ONNUTRACAAIPET-GOSISDBHSA-N 415.519 1.545 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539223163 ZIPOZJIMJIYBBF-SJLPKXTDSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(C)COCCO1 1539251765 PEICZDPCLSAZNU-JOCHJYFZSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C)CCOCC1 1539416431 OCRWPIZIJGQHPZ-MRXNPFEDSA-N 410.540 1.083 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC1 1539417074 XTBKTELUMKYVPW-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@@H]1CCOC1 1540898771 UJTPTFNVZHVFTM-MRXNPFEDSA-N 421.479 1.679 30 10 HDEE C=CCN(C(=O)c1cc(I)ccc1N)[C@H]1CCS(=O)(=O)C1 1542216697 AGIYOLLJPFNARL-NSHDSACASA-N 420.272 1.689 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)CC1 1542768563 HQWYIJTVGMUGRZ-SJORKVTESA-N 402.499 1.894 30 10 HDEE Cc1noc([C@H]2CCCN(c3nnc(-c4ccc(C#N)cc4)n3CC(=O)N(C)C)C2)n1 1543417411 CKOJJDCIMUWBHB-KRWDZBQOSA-N 420.477 1.980 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCc1n[nH]c(C)n1 1545460445 AQPPBCLDQFXKLR-GFCCVEGCSA-N 407.482 1.996 30 10 HDEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCO)CCN2C1=O 1554355002 NUJMJYDCUPLEKB-SFHVURJKSA-N 409.494 1.535 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1 1555670646 VSLLRPGAAXFUSL-MSOLQXFVSA-N 406.531 1.607 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1555682161 DEDBVPRRACSOOF-DLBZAZTESA-N 407.515 1.590 30 10 HDEE CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CCCC1 1557260428 GUOLEZFDXYOBGT-QAPCUYQASA-N 407.536 1.919 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1557621911 ITCTYQPVEUANFD-GDBMZVCRSA-N 416.503 1.386 30 10 HDEE COC(=O)CCC1(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 1558516337 RXTHRRPQFGPHOK-HNNXBMFYSA-N 421.519 1.997 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1565452710 JOEQHEQNSFLCDD-SFHVURJKSA-N 401.511 1.844 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)c1c[nH]c2cccc(C#N)c12 1569696832 VWLILDMKZIOCAG-UHFFFAOYSA-N 411.487 1.895 30 10 HDEE CCc1ccc(C#CC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1570275471 BUROQIKMUPJUCY-UHFFFAOYSA-N 404.463 1.924 30 10 HDEE Cc1nc(CC(F)(F)F)sc1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1585295291 CNADCVJLAULQRZ-CCEZHUSRSA-N 402.398 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCCNS(=O)(=O)CC 1587580716 ROWWTLRDLAVFOL-HNNXBMFYSA-N 405.524 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1587626077 GQWVIANJQGRJJZ-NWDGAFQWSA-N 422.415 1.608 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793039 FNICATBPWSRAHF-NJNPRVFISA-N 415.538 1.837 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)C(=O)C1 1587831335 MJGFXELGGWPTQI-UHFFFAOYSA-N 402.886 1.702 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1587865088 ICYOPVXSCCZRMH-UHFFFAOYSA-N 419.526 1.939 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1594949136 QZEWSROQTIFDIG-UHFFFAOYSA-N 402.499 1.739 30 10 HDEE C=CCn1c(-c2ccc(OCC)c(OC)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1595366474 AIMGXSMNRIFXGR-HZPDHXFCSA-N 416.478 1.899 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1595434676 LKGKCTALULDWBC-KRWDZBQOSA-N 412.498 1.092 30 10 HDEE C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596586255 USPKNXWMNDWYFR-YGRLFVJLSA-N 412.309 1.306 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC=CCO2)CCO1 1596642576 YMVNUYXVZPKUPV-UXHICEINSA-N 422.489 1.503 30 10 HDEE CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598568155 QOZFZLVWMJLPFV-IFXJQAMLSA-N 413.540 1.714 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnc(-c4c(F)cccc4F)s3)C2)c(=O)nc1O 1607497610 JWOXZAZXGNPMPP-UHFFFAOYSA-N 415.381 1.919 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3cc(Cl)cc(Cl)c3)no2)CC1 1612811140 TYUPNQZCEGUKIS-UHFFFAOYSA-N 416.290 1.633 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC(=O)N1C 1612912563 YFCUZVDMYZCHOD-PBHICJAKSA-N 421.505 1.398 30 10 HDEE Cc1nn(-c2cccnc2)nc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618731747 OYIDPBQWBKBISC-GOSISDBHSA-N 401.430 1.373 30 10 HDEE COC(=O)[C@](C)(NCCS(=O)(=O)c1cccc(C#N)c1)c1cccc([N+](=O)[O-])c1 1620477275 YZCIMXUTHDYKBJ-LJQANCHMSA-N 417.443 1.918 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)cn1 1622335439 FUYAYYRMCHCTNQ-UHFFFAOYSA-N 401.366 1.800 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cn1C 1622349590 GIPCHZFYIKFHJG-UHFFFAOYSA-N 408.505 1.646 30 10 HDEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)NCC2(C#N)CCOCC2)cn1 1623133078 DUMLIOHSFVRURL-UHFFFAOYSA-N 403.464 1.718 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 1623898674 MBCADSONUGXTLC-SFHVURJKSA-N 415.538 1.756 30 10 HDEE CO[C@@H]1CCn2cc(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)nc2C1 1624276946 FNHFUIDMNNQCDB-MRXNPFEDSA-N 419.489 1.846 30 10 HDEE Cc1ccc(C(=O)NCC2CCS(=O)(=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1624598540 KJIVHKOHZISVNO-UHFFFAOYSA-N 407.341 1.849 30 10 HDEE C[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCN(C)CC1 1627147120 IFFBXJXTUUBXJF-ZBFHGGJFSA-N 403.914 1.317 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(CCOCCOC)CC2)CCCN1C(=O)OC(C)(C)C 1628149541 YIMATCQJDGZAOS-JOCHJYFZSA-N 423.554 1.587 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1628439219 YTDGHZNLORMPCM-MRXNPFEDSA-N 405.407 1.032 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c2ccccc2N(C)C1=O 1629095197 AURFYGYDVALUEB-AWEZNQCLSA-N 412.471 1.482 30 10 HDEE C#CCN(CC(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)C(=O)OC(C)(C)C 1631780927 BKRXIRGLQJQBRP-UHFFFAOYSA-N 416.478 1.421 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(C(C)(C)C)nc2O)cc1 1632005037 SBGKAMDQLHVKFR-UHFFFAOYSA-N 401.488 1.926 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCc4c(O)ncnc4C3)C2)C1 1632900360 GJOUIRSYEVAYFY-GJGORFQUSA-N 413.478 1.854 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1638689233 CYOPCKXMEDMETJ-AWEZNQCLSA-N 413.503 1.766 30 10 HDEE COC[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccc(OC)c1 1640010752 BXCQOPRSLSCEMM-SFHVURJKSA-N 403.460 1.349 30 10 HDEE N#Cc1ccc(CCNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)cc1 1640400643 CATCIXRCSNHGGV-IBGZPJMESA-N 413.499 1.988 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]21)c1cc[nH]n1 1641994168 WKTGAQAYAXKPKF-RRQGHBQHSA-N 402.838 1.801 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3cncs3)CC2)cc1 1642931392 KZFYODHMWMEAMD-UHFFFAOYSA-N 406.533 1.565 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCSC[C@H]2c2cnn(C)c2)cc1 1645652685 PPOZCQGGYISRED-SFHVURJKSA-N 418.544 1.652 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)cc1S(=O)(=O)NCC#N 1645744161 YWSFXKTVOSDDTM-IRXDYDNUSA-N 407.492 1.207 30 10 HDEE Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790757 SZALRJDOVPPSLK-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE N#CCCN1CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 1648963072 KALJCOZSGYMWQE-UHFFFAOYSA-N 416.869 1.494 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1653170307 OYYIQQGZRCFNBE-CQSZACIVSA-N 404.515 1.896 30 10 HDEE N#Cc1cn(C2CN(C(=O)C[C@@H](O)c3cc(Cl)cc(Cl)c3)C2)c(=O)nc1O 1653759605 DGYSZXBXQWMAJI-CQSZACIVSA-N 409.229 1.634 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@@H](C2CCOCC2)C2(CO)CCC2)CC1 1653975959 NEZSKDZCDQKZHJ-CTNGQTDRSA-N 406.571 1.226 30 10 HDEE C#CCN(Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC)C(C)C 1655667272 DECYJSVVLVRACS-UHFFFAOYSA-N 404.536 1.921 30 10 HDEE COCC[C@H](CN1CCN(c2nccnc2C#N)C[C@H]1C)NC(=O)OC(C)(C)C 1659019142 FEVMMKVHHGLVRV-HZPDHXFCSA-N 404.515 1.789 30 10 HDEE CCOC(=O)c1c(C(F)(F)F)coc1CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1660314958 KGTUZGBJQNLQNZ-BONVTDFDSA-N 406.382 1.845 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Cl)c(OCC=C)c(OC)c2)CC1 1660574751 MKHASYQMRXKKOW-UHFFFAOYSA-N 413.927 1.499 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cc1 1660788561 BGGIXKIALCLAMZ-UHFFFAOYSA-N 420.535 1.665 30 10 HDEE C=CCN(C(=O)Nc1ccc(O[C@@H](C)C(=O)OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1663449467 RUHYWMIOYCFZEN-GXTWGEPZSA-N 414.455 1.973 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@@H](CO)Cc2cccnc2)c1 1664768295 HJPIUMIZAFARQH-AWEZNQCLSA-N 410.293 1.845 30 10 HDEE C#CCn1cc(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)cn1 1664952690 IGIUCSGAXACHBJ-LJQANCHMSA-N 416.503 1.737 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)cc(F)c2OC)nn1 1669875069 DJHYSNOOVQGCGK-UHFFFAOYSA-N 405.249 1.853 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1)[C@@H]1COCC12OCCO2 1673533247 FVGNXHJGOVWBPB-IBGZPJMESA-N 414.506 1.806 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCC(CN3CCNC3=O)CC2)[C@H](C#N)C1 1679943727 ASDMGLZJSMQDKT-HZPDHXFCSA-N 420.514 1.192 30 10 HDEE N#Cc1c(CCCNC(=O)NCc2cnn(CCF)c2)nn(-c2ccccc2)c1N 1684440242 LXVASSPLASWBMA-UHFFFAOYSA-N 410.457 1.924 30 10 HDEE C#C[C@H]1COCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1685153299 OFDOKPACQVVTCY-IRXDYDNUSA-N 407.511 1.836 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)C1 1685180076 GHEZFZOEUVVDPP-IJEWVQPXSA-N 407.458 1.235 30 10 HDEE C=CCONC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1686482672 CWUHAUXJECLYEG-HOTGVXAUSA-N 423.514 1.681 30 10 HDEE C=CCC(C)(C)CNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1686594999 XPGJRMZPMUYQOA-UHFFFAOYSA-N 409.508 1.732 30 10 HDEE CN(CCCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)S(C)(=O)=O 1686929370 JEWQKUXZOAPQDL-UHFFFAOYSA-N 407.540 1.103 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1689883850 AAZLTDYOFVNNIZ-QGZVFWFLSA-N 418.567 1.853 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689968761 FUYVFJARNBCVQY-LJQANCHMSA-N 409.538 1.276 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CCOC)c1 1690073695 DHARQBPBSZGGFW-UHFFFAOYSA-N 411.466 1.357 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1 1690102994 ZNKOJMHVIALPLQ-MRXNPFEDSA-N 413.478 1.381 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccnc(-n2cccn2)c1 1690104432 WMNATZIOTQYFII-SFHVURJKSA-N 407.478 1.497 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690354337 NKOGLLCGPIDKHS-PBHICJAKSA-N 410.950 1.556 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690670973 MROKXLHLCILDQG-IRXDYDNUSA-N 418.542 1.707 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1690678171 NJAQAGGPRDDUQI-CVYDXHPNSA-N 407.515 1.166 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1690992915 BNNXSFDFVIWCQQ-SPYBWZPUSA-N 420.539 1.392 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@@H](C#N)C2)n1CCS(=O)(=O)CC 1694257038 CHBGTZWTWXYMGU-ZWKOTPCHSA-N 417.535 1.983 30 10 HDEE Cn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1696873223 CRSKQXBXTJYPCV-UHFFFAOYSA-N 403.450 1.646 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1697011046 GVFKVHHGDDECBK-PKOBYXMFSA-N 423.521 1.829 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705519891 AOHGIUQMNCUUMK-GOSISDBHSA-N 414.554 1.945 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1705552718 OCRSKJBKEHJHML-INIZCTEOSA-N 417.464 1.946 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705553483 QSAZNBBQYBKOEK-AZUAARDMSA-N 421.549 1.509 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCCS1 1705629078 WSPDEPNTAXAEBS-CRAIPNDOSA-N 412.581 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ncn(-c3ccccc3)n2)CC1 1705649990 KPJVQIRKAVSKBN-UHFFFAOYSA-N 418.505 1.435 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCCCCC[C@@H]21 1705890833 LDKRYBLWTWNWTC-ULQDDVLXSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705899299 OHJHIVNMPDVTAX-CYBMUJFWSA-N 409.487 1.256 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)(=O)CC1 1705948373 RCRLFSMADYHGGL-UHFFFAOYSA-N 410.569 1.294 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1706058455 BUSWVSRXOFUTQJ-IBGZPJMESA-N 409.494 1.448 30 10 HDEE CC(C)NC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1706636826 DZRWHGJHYFZRRW-QGZVFWFLSA-N 412.494 1.869 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)c1cccc(C)c1 1722342758 XIWPDNSBXHTKOH-UHFFFAOYSA-N 417.473 1.733 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1722367967 YMAXAJUQRYOKBN-FUHWJXTLSA-N 402.520 1.989 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722409180 IFHUNXPJDWKOLD-HNNXBMFYSA-N 405.499 1.825 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1nnc2n1CCCCC2 1722424578 RPBSEKIXDHVNDI-UHFFFAOYSA-N 420.521 1.987 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCOC[C@H]2OC)CC1 1722438815 CXMIXNCDBQINPW-UYAOXDASSA-N 410.522 1.071 30 10 HDEE C=CCn1c(N2CCN(C(=O)c3ccco3)CC2)nnc1[C@]1(OCC)CCOC1 1722691582 VXEXQCFWKBPFIT-FQEVSTJZSA-N 401.467 1.672 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCSCC1 1722705933 JVJQRYIAEAWNKO-UHFFFAOYSA-N 403.508 1.721 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2CC[C@H](CO)O2)C1 1722720921 PDFIRCHCHZHPAF-FGTMMUONSA-N 419.551 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722730483 UDGLCOUOJLDWHH-DNVCBOLYSA-N 410.540 1.216 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@]1(OCC)CCOC1 1722731490 MDCORIRRFBJDLE-XLIONFOSSA-N 424.567 1.767 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)COCCO1 1724040040 KTTBRPYSRZUPIO-RTWAWAEBSA-N 410.478 1.324 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1726636979 DLCUCEVQPNXQSG-YOEHRIQHSA-N 421.505 1.398 30 10 HDEE CCOCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CC1 1729120391 TZDBYZXGUOKCQT-HNNXBMFYSA-N 424.571 1.835 30 10 HDEE COCCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1730642010 HOHKADWMCYCRIB-GUYCJALGSA-N 414.507 1.147 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC[C@H](C)C1 1730762242 BYEPOBMTFRWTFL-BZSNNMDCSA-N 417.558 1.716 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN1CCC)[C@@H]1CCS(=O)(=O)C1 1740616683 FKJWBBLVANDOGU-ZWKOTPCHSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1C[C@H](C)O[C@H](C)C1 1740644427 FWWDCTGRZWHMHA-KDURUIRLSA-N 414.554 1.379 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(C)COCCO1 1740686257 GSORNZSRHVIOIC-OAQYLSRUSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1740694482 KXRLLJMUUVQLST-UHFFFAOYSA-N 405.568 1.516 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1740785448 FURVFFAYLKCWKT-SFHVURJKSA-N 403.458 1.914 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCOC[C@H]2C)CC1 1740833569 SWWAJIYAUWFKPP-VYDXJSESSA-N 411.572 1.963 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740865177 KOQNXKFIPPAGMC-QGZVFWFLSA-N 415.542 1.797 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1740875434 CUOBRQAXRKLSDD-GJZGRUSLSA-N 405.528 1.616 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](COC)C1 1740953380 DNSULHNBWCZIBK-HNNXBMFYSA-N 415.494 1.737 30 10 HDEE CC(=O)NCCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1741123206 PSVLNEHRAIXXQB-INIZCTEOSA-N 407.478 1.692 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(C)=O 1744066460 TYTAUNRFTAPTAR-HXUWFJFHSA-N 403.531 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO 1748638344 NISXXFDWURVEOD-IRXDYDNUSA-N 411.510 1.230 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1748671415 JFBVPWCEWSCPDE-XLIONFOSSA-N 411.506 1.971 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1748826472 UHGFKFFVEVCVCH-QZTJIDSGSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1 1748864160 RUKVBUUJDDURMO-CVEARBPZSA-N 409.581 1.637 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC=CCO2)CC1 1749009501 JSMMBRPLWKAQRE-RTBURBONSA-N 413.522 1.483 30 10 HDEE COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1Cc1ccc(C#N)o1 1749096302 KLUYFRANRWNYTE-UHFFFAOYSA-N 408.418 1.315 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OC)CC1 1749103377 UTUCUHIXCKGFGP-ZDUSSCGKSA-N 414.304 1.969 30 10 HDEE COCc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1749434843 HYDAWRLTSACFSE-SFHVURJKSA-N 410.478 1.438 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC(NC(C)=O)CC1 1749729748 QOJZOHLXHMWECE-UHFFFAOYSA-N 418.523 1.046 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1749732100 PKWPDVMPNDLYIT-OAHLLOKOSA-N 420.539 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC1CC1 1760100192 RUIJKJXDEMGGNC-OXJNMPFZSA-N 424.567 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCc2nccn2C1 1760193334 FDFLGCLEWSZYSH-KRWDZBQOSA-N 407.522 1.728 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1760204884 GDLXPXDJUIZBQA-KRWDZBQOSA-N 409.456 1.957 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCNC(=O)c2cccc(OC)c2)CC1 1760253115 BHNFDLCWUPVAOK-UHFFFAOYSA-N 410.522 1.595 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCOCC1 1760293890 HLWZEDUPSAGYBS-XGHQBKJUSA-N 400.527 1.190 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1)C1CC1 1760473296 PQEAAHQWBSSXOQ-QZTJIDSGSA-N 402.543 1.741 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1760509733 DOBNHVLXRTWAIH-KRWDZBQOSA-N 400.527 1.890 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@]2(CCSC2)C1 1760510001 AENQWFZMCGYOSH-RHSMWYFYSA-N 413.569 1.130 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760520224 GOODOVTXDJQFIE-OAQYLSRUSA-N 410.478 1.115 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCCCCC[C@H]21 1760554127 SEELNKIHXQHYMB-YESZJQIVSA-N 421.567 1.989 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1760560043 XPVBBRISTPPSAP-LJQANCHMSA-N 404.540 1.150 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1760695119 AYUSFZKNZSBWPR-DOTOQJQBSA-N 420.583 1.650 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1761281755 WGMMAGOJOGEOQA-DYESRHJHSA-N 416.526 1.727 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1766245646 CYVBESDYBKMZQZ-UFRUDQCGSA-N 408.506 1.940 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C#N)o1 1766335734 JSSKZGQCXKUGLH-UHFFFAOYSA-N 405.418 1.863 30 10 HDEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1)C1CC1 1769679558 AZXRVEQJKGSQOD-GOSISDBHSA-N 410.478 1.480 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCC(=O)NC(C)(C)C 1770177286 KZZDVMXWZONQQA-VYDXJSESSA-N 406.531 1.903 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CCOC[C@H]1OC 1771281685 QFBASLFOXMCGAH-ICUGJSFKSA-N 407.515 1.649 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#Cc3cnn(C)c3)C2)cc1 1850090408 RFYXSOPXDARDDS-GOSISDBHSA-N 400.504 1.297 30 10 HDEE N#C[C@@H](COCS(=O)(=O)N1CCOCC1)Cc1ccc(Br)cc1 1850429271 DZNZOIXXMOHHJB-AWEZNQCLSA-N 403.298 1.767 30 10 HDEE Cc1cc(C)c2c(=NC(=O)CN3CCN(c4ncccc4C#N)CC3)[nH]n(C)c2n1 1851558021 UPFCLDYJVRGIKS-UHFFFAOYSA-N 404.478 1.034 30 10 HDEE N#Cc1ccc(N2C[C@H](OCC(=O)CCN3C(=O)c4ccccc4C3=O)CO2)nc1 1852866754 FYRUOYJJWSILAI-INIZCTEOSA-N 406.398 1.345 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4F)C3)CC2=O)no1 1854196954 XHTKIIKUFFSRJR-KRWDZBQOSA-N 411.437 1.553 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2snnc2CCC)C1=O 1854262074 GKKGYWSYALZOPX-HOTGVXAUSA-N 419.551 1.731 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)[C@H]1C 1854330622 OFEDOHAGJDVLOW-MRXNPFEDSA-N 405.520 1.720 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)C4CC=CC4)C3=O)CC2)CC1 1854370798 OEUMVTINERKQDF-HXUWFJFHSA-N 412.534 1.944 30 10 HDEE CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)cc1 1854414407 PSJIZAGLHYXNHL-UHFFFAOYSA-N 404.492 1.203 30 10 HDEE COc1cccc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1OC 1854955964 HQIHMLUPZPFTDL-DLBZAZTESA-N 414.506 1.755 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccc(F)cc1F 1855003064 LLHYFFDBSXFSDL-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC(Cn4ccnc4)CC3)CCC2=O)ccn1 1855518355 JNKUBGQJNGSQJN-SFHVURJKSA-N 406.490 1.941 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cncc(N(C)C)c2)CCN1CCOc1ccc(C#N)cc1 1855943601 FHJZIENNZIQXHR-INIZCTEOSA-N 407.474 1.771 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C1=O 1856041276 KSNVBYQTDJLBIG-QFBILLFUSA-N 409.490 1.934 30 10 HDEE Cn1nncc1C(=O)N1C[C@@H](C2CCN(Cc3ccc(C#N)cc3F)CC2)CC1=O 1856173622 BAFGXNJUJSWFPU-KRWDZBQOSA-N 410.453 1.727 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(Cc4ccncc4)CC3)CC2=O)cc1 1856607613 GYUCAEXGVKWFJE-FQEVSTJZSA-N 403.486 1.760 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(Cc4ccncc4)CC3)CC2=O)ccn1 1856643122 CWSIDJSYYFYVNB-GOSISDBHSA-N 404.474 1.155 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCN(C(=O)c4ccncc4)C3=O)CC2)n1 1856976841 ZIUSETOZDDFBRK-IBGZPJMESA-N 405.458 1.880 30 10 HDEE C=CCOc1cn(CCCN2CCOCC2)c(CN2CCC(N(C)C)CC2)cc1=O 1870385021 DCTVLJDLKYUWSR-UHFFFAOYSA-N 418.582 1.661 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1/N=C/c1ccc(O)cc1 1874435142 PIMPFHGUPQFKDJ-DNTJNYDQSA-N 405.480 1.793 30 10 HDEE C=C(CNC(=O)[C@H]1[C@H]2[C@@H]1OCCN2C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1991967307 YBWULSGKFWBWAB-SOUVJXGZSA-N 408.304 1.925 30 10 HDEE Cn1c(Br)nnc1CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 2060557200 INDINOVIFWCYDU-JTQLQIEISA-N 415.292 1.781 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)Nc1ccc(I)nn1 2173021103 HGXVBTLOFIYAIR-UHFFFAOYSA-N 404.164 1.893 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CC[C@H](C#N)C1 2174782581 RUEFFZPTCYNBIO-QLFBSQMISA-N 402.517 1.081 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2174789309 PDYBLKIXGUMSQB-YJBOKZPZSA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CCC(CNS(=O)(=O)N2CC(C#N)C2)CC1 2178642659 XHKPWEXPGDXPBG-UHFFFAOYSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)NCCCC1CN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2199524736 KOQIDLRDLJFBNG-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE CS[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1N 2205584272 IIFWVHZXGONHQD-UONOGXRCSA-N 412.537 1.770 30 10 HDEE CN(C[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2243395439 WTAXDSJUKNDJNL-OAHLLOKOSA-N 408.304 1.716 30 10 HDEE CON(CCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247814874 VEEKGSZCGBCUTA-UHFFFAOYSA-N 424.307 1.627 30 10 HDEE C#C[C@]12C[C@H](CCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c3ccccc3C1=O)C2 2260237002 BBBPEKRUUGNIDX-PNHOKKKMSA-N 404.463 1.828 30 10 HDEE C[C@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2267375898 NVGFKXMNWLHDNS-JNDILOIQSA-N 407.388 1.483 30 10 HDEE CC(C)[C@@H](CN)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267702979 OKFFPMNXMSKGFP-LLVKDONJSA-N 408.782 1.962 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044720 REEJZJMRJLOGTO-ZFWWWQNUSA-N 405.304 1.333 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@H]2CCO)OC1(C)C 2282338003 OKZLKXPTMXKWPV-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CC(C)[C@H]1NCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353231 UIXLDGOPVYTPOI-IUODEOHRSA-N 400.375 1.712 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NOCCC(F)(F)F)OC1(C)C 2282414439 SPGTYVLGTYYHPT-UHFFFAOYSA-N 416.252 1.746 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H]2CN)OC1(C)C 2282415508 IOUNJLRLODXZJY-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@](C)(CO)C2)OC1(C)C 2282499409 CQOMDIPPXJQJLW-KRWDZBQOSA-N 401.359 1.581 30 10 HDEE CNC(=O)CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282825604 KZOVMKZWYGJMKM-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@@](C)(=O)N2CCCC2)OC1(C)C 2282866345 HPEJLDKDOAKNNI-RUZDIDTESA-N 420.387 1.845 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@]2(C)CO)c1B1OC(C)(C)C(C)(C)O1 2282869986 KZGYHEDCDSMDLA-QGZVFWFLSA-N 401.359 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@@H](O)C3)ccc2Cl)OC1(C)C 2282874184 WTUWXPIANRWHPZ-VXGBXAGGSA-N 401.721 1.831 30 10 HDEE CCN(CCC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284395196 ISNMNDNVHLSRKH-UHFFFAOYSA-N 403.331 1.841 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2284397473 MKLWRLJFBRNNMB-UHFFFAOYSA-N 423.387 1.682 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CSC[C@H]1C(=O)O 2284408405 WEJXENBIKQCRHT-JTQLQIEISA-N 419.355 1.504 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2315538192 GBUQBIVJXOSEKZ-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE O=c1c(Cl)c(NN=Cc2ccc([N+](=O)[O-])cc2)cnn1[C@H]1CCS(=O)(=O)C1 2322614586 ZZSOAIJKOCKTHU-LBPRGKRZSA-N 411.827 1.611 30 10 HDEE CCOc1cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc([N+](=O)[O-])c1OC 2323026614 HHDASKASVHLPIC-UHFFFAOYSA-N 423.407 1.142 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1OC 2323400326 YZOVMAQCKAQJGO-UHFFFAOYSA-N 410.364 1.833 30 10 HDEE C#Cc1ncccc1NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2324114145 PXDBOFCLNCEDNZ-IBGZPJMESA-N 401.419 1.829 30 10 HDEE C#CC[C@@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338822046 WXSPSYHCSFNVGN-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE CC(C)SC[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2362567961 POSBRGHFZUHQJV-NSHDSACASA-N 400.331 1.767 30 10 HDEE CCc1csc(C#C[C@@H](O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363965310 SXPZBOMMECMXCV-CABCVRRESA-N 414.549 1.842 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)OCC1(C)C 2365204979 QPBZYKFVRVQVIJ-GJZGRUSLSA-N 402.557 1.945 30 10 HDEE CCCN[C@H](C#Cc1nccs1)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379794735 CTYJONJROHCNDT-CQSZACIVSA-N 413.565 1.897 30 10 HDEE COC(=O)c1ccc([C@H]2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCNCCO)cc1 136554270 POCNPRSCKYWLEO-HQMFNGAOSA-N 424.453 1.477 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)C1 219951000 UGEDVSRWBYHBSE-CQSZACIVSA-N 405.414 1.404 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)C1 219953665 ZUOOGRFZCUQPQC-HUUCEWRRSA-N 401.467 1.975 30 10 HDEE COC(=O)CCS(=O)(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 404809124 CYIYKRAZSAMPNM-UHFFFAOYSA-N 403.693 1.944 30 10 HDEE COc1cc(C)cc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1C 427385467 WJNJQDQUIQCBLK-UHFFFAOYSA-N 410.478 1.513 30 10 HDEE N#CCC1(CNC(=O)C(=O)N2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)CC1 430355316 GQOAXBYEQNSVMY-GOSISDBHSA-N 410.474 1.603 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 441203742 UGJCWJRRCXJMCH-CBHRRUNHSA-N 419.522 1.731 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H]1CCN(c2sccc2C#N)C1=O 441215323 BRWHMBHHOOZOKK-RYPNDVFKSA-N 403.460 1.150 30 10 HDEE CCO[C@@H]1C[C@@](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)(C(=O)OC)C1(C)C 444555424 SCLUWAQYEFMTGK-OXQOHEQNSA-N 422.503 1.336 30 10 HDEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)s1 445019897 MVDSAKBZLSZNQN-JTQLQIEISA-N 410.467 1.641 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H](NC(=O)c3ccccn3)C(C)C)CC2)c1C#N 471710183 YZZKOMBSNGXFKK-GOSISDBHSA-N 409.494 1.098 30 10 HDEE C=C[C@](C)(CCOC)C(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 474192009 JYNAACPJMJZGQR-PGRDOPGGSA-N 417.554 1.597 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 478164240 GALFBZJGYVIOQY-UHFFFAOYSA-N 411.480 1.404 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 479039612 GXLWMUFWFSCIRH-LJQANCHMSA-N 422.464 1.725 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)co1 479290058 SEBPQFZXVDCEON-UHFFFAOYSA-N 416.503 1.818 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)NCC3CCN(CC#N)CC3)CC(=O)N2C(C)(C)C)cn1 480116524 YZOLAUHGWWBBIQ-MJGOQNOKSA-N 400.527 1.460 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(S(=O)(=O)CC2(C#N)CCC2)CC1 514819035 YIPZKUJMQNKAQK-UHFFFAOYSA-N 416.525 1.012 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)ccc1OCC(N)=O 522024133 RRPOBSDLKSFANB-UHFFFAOYSA-N 409.851 1.563 30 10 HDEE CC(C)CN1C[C@H](C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1=O 522867200 JZUQDYZFLJLUNW-NVXWUHKLSA-N 400.504 1.903 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1=O 523312508 MITJYIQCUGJIFE-UHFFFAOYSA-N 402.407 1.788 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCOc3ccccc32)CC1 524454179 VKSBXIQUOYBKSV-GOSISDBHSA-N 411.483 1.957 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)COc3ccc(F)c(F)c3)cc2C1=O 524556104 BHVHVZSFELNAEE-ZDUSSCGKSA-N 416.380 1.917 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 533283968 QRVGGGDWICLPEQ-OAQYLSRUSA-N 421.549 1.784 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(Cc2coc(-c3ccc(S(C)(=O)=O)cc3)n2)c1 536447747 KHKZSTWDCPCINJ-UHFFFAOYSA-N 413.411 1.613 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccnc(O)c1Br 580152592 JSTCZHXKZBJRPS-SNVBAGLBSA-N 403.240 1.562 30 10 HDEE Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 581520236 NJKZYORWYLQOFH-CYBMUJFWSA-N 403.508 1.974 30 10 HDEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585779026 VCJKECNBOVITLG-GFCCVEGCSA-N 418.450 1.099 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1OC 589294247 QTYGLGNIOZDWSC-UHFFFAOYSA-N 420.443 1.849 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(c2cccc(F)c2C#N)CC1 603631161 IYBXLIXSTAHCQN-UHFFFAOYSA-N 423.491 1.612 30 10 HDEE Cc1nc([C@H]2COCCN2S(=O)(=O)c2cc(Br)cc(C#N)c2)no1 611533946 HWBNSHOCCKXIOH-CYBMUJFWSA-N 413.253 1.774 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NCC(=O)N2CCC[C@@H]2C(=O)NC)cc1OC 729250943 POTDMIVPRIPVQT-XAVKZTDYSA-N 401.463 1.126 30 10 HDEE CCC[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664615 RZZGJVBSNRKMKN-RTBURBONSA-N 401.486 1.992 30 10 HDEE C#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 733356737 NXGCOAKPMGORNK-UHFFFAOYSA-N 409.508 1.523 30 10 HDEE Cc1ccc(Br)cc1NC(=O)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 737305324 GUPKLJBEFSJPCN-CCEZHUSRSA-N 421.251 1.339 30 10 HDEE COc1c(F)cc(CC(=O)OCC(=O)c2ccc(C#N)cc2)cc1S(N)(=O)=O 748251372 JVEYHPJKUWLNHT-UHFFFAOYSA-N 406.391 1.322 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(Cc3ccc(C)nc3)C[C@@H]2[C@@H](C)CC)CC1 749550500 KGQPNPPRNYMDEG-NZQKXSOJSA-N 411.594 1.700 30 10 HDEE C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(OC)cn3)cc2)nc1 756695366 XTMUBAJCCXZWDJ-UHFFFAOYSA-N 409.427 1.915 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3sc4c(c3C(N)=O)CCC4)CC2)n1 760911191 NVPKJJMOBSZRRX-UHFFFAOYSA-N 410.503 1.363 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 763581393 QYCDZPNVCKNMQZ-MOPGFXCFSA-N 404.461 1.881 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC[C@@H](O)C(F)(F)F)c1 768971470 HLAWYJIYVXOVSA-JPHFOSBYSA-N 422.429 1.934 30 10 HDEE C#CCN(C(=O)NCc1ccc(CN2CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774177393 HGOXPGLWUNOKEM-SFHVURJKSA-N 403.504 1.141 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 774264039 SDCZNWLQKNQLLD-ZWKOTPCHSA-N 403.504 1.010 30 10 HDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@@H]1CCCCN1C(=O)c1ccc(C#N)nc1 775465648 OROUURAOXRMFKF-KRWDZBQOSA-N 415.494 1.979 30 10 HDEE Cc1cc(C(=O)OCc2ccc(C3(C#N)CC3)cc2)nc2c1c(=O)n(C)c(=O)n2C 777146636 YJZSIZQEZFYIFT-UHFFFAOYSA-N 404.426 1.853 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 777608269 QQABYEMMYKLSPC-UHFFFAOYSA-N 410.521 1.900 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 780045854 DYEAAUVLLCPYCL-CQSZACIVSA-N 401.444 1.506 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)c1 780847830 CUQNRMKMJGRWHG-FQEVSTJZSA-N 413.499 1.742 30 10 HDEE Cc1nc(CN(C)C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)no1 781439602 CSVXJRXJXMTZSW-LTGZKZEYSA-N 406.468 1.855 30 10 HDEE CCCN(CC(=O)Nc1ccccc1OC)C(=O)COC(=O)c1ccnc(C#N)c1 795969317 JAMMISUIDNDQQP-UHFFFAOYSA-N 410.430 1.996 30 10 HDEE CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798746504 VLBFISVOHJTXDH-OAHLLOKOSA-N 412.450 1.440 30 10 HDEE COCCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 802519220 HKSGEGXVJPZWLF-GOSISDBHSA-N 416.457 1.350 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)ccc1F 803564460 NDGBHTDAFMHLHV-CJNGLKHVSA-N 402.488 1.178 30 10 HDEE CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CN(C(=O)OC(C)(C)C)C1 810565351 QJNSPYBSCZCWJH-UHFFFAOYSA-N 422.507 1.304 30 10 HDEE CN1CC[C@@H]2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C[C@@H]2C1 812330854 CIVFXKMWWOAQQU-MOPGFXCFSA-N 416.547 1.369 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856691410 YYSHCTXUCJJOCG-UHFFFAOYSA-N 415.519 1.665 30 10 HDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccccn1 1084567131 SESBJIKHIZRFSR-UHFFFAOYSA-N 413.423 1.472 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC3(CCOCC3)CO2)cc1 1132607573 MBGLIDYDOLCNAK-MRXNPFEDSA-N 407.492 1.194 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C[C@@]2(O)CCCN(C)C2)n1 1136554024 BEBUIYCCKDFSLK-KRWDZBQOSA-N 408.553 1.585 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n[nH]1 1136947599 IEGFGEJJHVUKMM-HNNXBMFYSA-N 405.503 1.345 30 10 HDEE COC(=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1F 1150861017 LOFNPWJVRMRLJB-MRXNPFEDSA-N 408.382 1.906 30 10 HDEE C=CCC1(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CCCC1 1157767527 VNJWDWJURWAQKH-UHFFFAOYSA-N 413.927 1.970 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 1158157869 NXPVPIJWTVPCNL-CVEARBPZSA-N 402.476 1.871 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)NCC#C[C@@H]1CCCCO1 1180363270 RVJNNTSANCAJEK-IRXDYDNUSA-N 407.511 1.581 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1 1195032845 CLFOWWZFDCTEEO-UHFFFAOYSA-N 409.430 1.409 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C1 1196623691 SVAQLJJLQHQVQN-STQMWFEESA-N 410.565 1.697 30 10 HDEE C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198070245 AWUVCYKQHXEVRT-RBOXIYTFSA-N 401.410 1.903 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)nn1 1230271839 KUKBWVLHQNBSBG-TZMCWYRMSA-N 407.418 1.115 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1234449982 GVVFSMXFEQHHKQ-KZNAEPCWSA-N 403.483 1.360 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(O)(COCCO)CC2)CC1 1234607284 CBDOGXIQVHDPMS-UHFFFAOYSA-N 418.494 1.189 30 10 HDEE C#CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1286336391 XITAMDJHBXPXKC-VQIMIIECSA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1286361906 UXDJMDSZGXJRRS-SJORKVTESA-N 410.588 1.326 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1286399787 NZHHARMUKLBMJW-GFCCVEGCSA-N 423.486 1.257 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCCN2CCOCC2)CC1 1286475282 VUWSZTKMDUZUKC-UHFFFAOYSA-N 412.538 1.714 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCS(=O)(=O)CC1 1286562386 RKJYHRWHTWLVDS-DLBZAZTESA-N 403.508 1.556 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)c1ccccc1 1286727100 MNCSFZPZTJTAPY-SFHVURJKSA-N 417.535 1.947 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1)C1CC1 1286737150 KOJMYQGLYLOLTR-OAHLLOKOSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CC(=O)N(C)[C@H](C)C1 1286790304 CTKADNYFQAGBKD-CYBMUJFWSA-N 418.448 1.116 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1292766386 LKOLQPSZNYYSDE-CQSZACIVSA-N 405.418 1.267 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C[C@H](c3nccn3C)C(F)(F)F)CC2)c1C#N 1296471567 GUNKTZRFWUHWGW-CQSZACIVSA-N 409.416 1.719 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)C2=CN(C)S(=O)(=O)N=C2C)C1=O 1297274346 VDZFAIJCLPRCCQ-QGZVFWFLSA-N 413.500 1.224 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 1297372768 DCYUHQYKSYIENE-QGZVFWFLSA-N 410.559 1.859 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300416972 NGMINZNWJULKSZ-UHFFFAOYSA-N 423.565 1.668 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(CC)C(=O)C1 1300874755 NSUBFEDTXKEUDD-SJLPKXTDSA-N 418.542 1.456 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H]1CCOC1 1301245973 NVDHVHYJAGYQHM-SFHVURJKSA-N 410.482 1.739 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301258522 VCOMBCPYHKJMPU-MOPGFXCFSA-N 405.543 1.533 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@]4(CCC(=O)N4)C3)n2CCCCCO)cc1 1302993863 GZFYOSJNUXGLPG-JOCHJYFZSA-N 424.505 1.750 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](c2cc(C(C)C)[nH]n2)C1)c1cc[nH]n1 1303319086 AYOOWASAALAWSD-AWEZNQCLSA-N 416.482 1.946 30 10 HDEE CCN(C(=O)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 1303676115 KDLVEJMDDLBTLX-UHFFFAOYSA-N 414.487 1.580 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1)C1CCOCC1 1311838526 BZZSRWKNRCXTQL-FQEVSTJZSA-N 413.518 1.956 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C)c1 1350883595 IRTGRWDAHLXQFI-ZKCWRFQVSA-N 406.508 1.839 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)CCOCC1 1352575901 ZZSPQHRGRFFALC-UHFFFAOYSA-N 408.520 1.901 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2(n3cnnn3)CC2)c1 1357761619 QUJGONWZRRGJFJ-PGMHBOJBSA-N 417.495 1.394 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1358927089 MTXVZDAAASSGOY-UHFFFAOYSA-N 423.506 1.855 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ncccc1N(C)C)[C@@H]1CCS(=O)(=O)C1 1358955332 KBBMQDNKOCJJOO-MRXNPFEDSA-N 416.551 1.538 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cccc(F)c2)CC1 1359031259 VWAKSGSHGZZRIV-JOCHJYFZSA-N 413.497 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC[C@@H](F)C2)CC1 1359044811 PDNBNAYBLPRWKM-CGTJXYLNSA-N 403.502 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCC(=O)N(C)C 1359065552 UCWSTBJIWJEKET-RTWAWAEBSA-N 403.527 1.791 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)OCC)C1 1359321470 GSGSBEGQXJSRIR-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1360206618 BVEIQPWSYFUQKC-KSSFIOAISA-N 406.462 1.401 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O 1360236827 QFMVFQPPUXZUCT-RYUDHWBXSA-N 406.405 1.853 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCCOC1 1360677860 HPMHUPDCNYSZTE-HOCLYGCPSA-N 410.544 1.445 30 10 HDEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1438876502 LVQWZRMSHIRLTA-UHFFFAOYSA-N 409.508 1.409 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CC(Oc4ccc(C#N)cc4)C3)CC2=O)cn1 1447469754 BBCPJVLTOAKIKH-MRXNPFEDSA-N 409.446 1.044 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c(S(C)(=O)=O)c2)c1 1449569080 WZYKARUJTGGAJA-UHFFFAOYSA-N 412.464 1.946 30 10 HDEE C#CC[C@H](NC(=O)c1cnn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1)C(=O)OC 1451181325 OKUDHFFPHQSEGW-CVEARBPZSA-N 404.467 1.750 30 10 HDEE CC[C@H]1C(=O)NCCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1456134612 AHVAZMREEQUWGP-AQZMIJIOSA-N 404.511 1.900 30 10 HDEE CN1CCN(CCCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1463742646 KJDYVVBBEPDLBM-UHFFFAOYSA-N 420.355 1.511 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)cn2)c1 1464093706 GTUOVECSOGHUSS-CQSZACIVSA-N 401.448 1.600 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1464150537 UNRZGAOOGZIEKD-UHFFFAOYSA-N 410.496 1.155 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)CN2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1464947992 CEIRQQHOSKHTAG-QGZVFWFLSA-N 401.360 1.660 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCc3c2cnn3CCO)c1 1466632109 IAADGBZLBLEFLH-MRXNPFEDSA-N 406.439 1.119 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc([C@H]3CC[C@H](C)CC3)n2)CC1 1471451535 VRZCANMICYQYIN-WKILWMFISA-N 424.592 1.591 30 10 HDEE C#CCC1(O)CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 1471521543 JTVRDAROSPYORX-UHFFFAOYSA-N 418.291 1.926 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC(c3n[nH]c4c3COCC4)C2)c1 1472387562 YAKRQOMREJSRPZ-UHFFFAOYSA-N 404.423 1.158 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1473587312 IRZKCXNLMZWZEB-FGTMMUONSA-N 419.547 1.768 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)cc1 1476041861 QXOUEXBPGVSXBY-OAHLLOKOSA-N 406.508 1.643 30 10 HDEE C#CCC1(NC(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)CCOCC1 1477384386 JDOOYEACJDPPII-UHFFFAOYSA-N 422.526 1.375 30 10 HDEE CCOc1ccc2c(c1)[C@@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CCO2 1478490310 JNHBVWACWRYHEK-INIZCTEOSA-N 411.418 1.309 30 10 HDEE CCOCc1nnc(N(C)C2[C@@H]3CCC[C@@H]23)n1CCN/C(O)=C1/N=CC=CC1=O 1503007524 OCKKWFWZIHAHQW-ORQRPPJRSA-N 400.483 1.576 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1507622801 LZZJDYDBTBSJLR-OXJNMPFZSA-N 408.568 1.969 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cc(C)nn1C)[C@H]1CCS(=O)(=O)C1 1507622895 MSOCZACETNMJEE-HOCLYGCPSA-N 404.540 1.509 30 10 HDEE C#CCN(c1nnc(-c2cccc(Cl)c2)n1CC(C)(C)O)[C@@H]1CCS(=O)(=O)C1 1507625177 HTXKXHNQAITPBQ-MRXNPFEDSA-N 422.938 1.996 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1507634565 ZDRLISXVYFFMQF-QGZVFWFLSA-N 423.608 1.221 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCS(C)(=O)=O 1507646390 UEBFBVZPCNFHBD-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(C)CCOCC1 1507660400 SMIWWHIPBXYDFE-MRXNPFEDSA-N 407.540 1.168 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCN(CC)CC2)CC1 1507720437 DJTFATPIYPEPGM-UHFFFAOYSA-N 415.630 1.749 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@@H]1CCCO1 1507751171 LHGGXVFIOCWJKE-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(C)c1 1507835900 PRMKAIXDDCWCRT-UHFFFAOYSA-N 410.482 1.888 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1508039698 PJUOOFBFJWBNGC-INIZCTEOSA-N 421.523 1.271 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)=O)C1 1508041218 JLEPHYSCWPONIO-IRXDYDNUSA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508086434 YWGXKYUDCRDADV-JKSUJKDBSA-N 416.551 1.799 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)C1 1508356307 BXYHSFOOGNEDDU-SFHVURJKSA-N 423.521 1.694 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1510170940 XSOZUFWXTBRYIL-HIFRSBDPSA-N 422.511 1.407 30 10 HDEE C[C@@H]1CCCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)C1 1512177316 AVGLYACCLJAEDA-KZNAEPCWSA-N 415.542 1.250 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1512538225 CJBXQCGQHFMSPU-HOCLYGCPSA-N 401.492 1.477 30 10 HDEE CCN(CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1515730795 KDOMUCKMPSTHQG-HNNXBMFYSA-N 415.498 1.465 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1515965144 FPHJJWMBCQKVCL-MRXNPFEDSA-N 414.514 1.031 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1516804551 BKKQZDIBIFWTQQ-CQSZACIVSA-N 418.523 1.070 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1519636153 FCWNNBOTGJZNQH-WJXXOHKWSA-N 415.519 1.438 30 10 HDEE CSCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1520417153 FNJDGWMIAYOUPH-JKSUJKDBSA-N 403.556 1.549 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CC(F)(F)F)cc1 1521109850 GWQSQRZCSASRIJ-CYBMUJFWSA-N 421.383 1.505 30 10 HDEE C[C@H]1[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN1C(=O)OC(C)(C)C 1523979259 CUIURYULTOWAPV-QWHCGFSZSA-N 404.471 1.702 30 10 HDEE N#Cc1cccc(C(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1Br 1525187423 MFRDQDBXZQUYKM-LWWSYDQCSA-N 414.259 1.858 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1530253126 MWVQUGFIQPZBHX-LJQANCHMSA-N 408.476 1.142 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)[C@@H](C)C1 1535222023 GLOAPLHDSYGAKZ-JKSUJKDBSA-N 410.515 1.669 30 10 HDEE CCN1C(=O)c2ccc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2S1(=O)=O 1538583322 RQNDLZLVLGTUMD-UHFFFAOYSA-N 404.444 1.329 30 10 HDEE O=C1C=COC2(CCN(C(=O)Cc3csc([C@@H]4CCS(=O)(=O)C4)n3)CC2)C1 1538588198 AIEKMWUJLYSZKV-CYBMUJFWSA-N 410.517 1.452 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@@](C)(CC)O1 1539323160 DHBYLHLHCKFIBY-LVCYWYKZSA-N 418.563 1.991 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1CC1(O)CCS(=O)(=O)CC1 1539391411 COEORRYQJJCFKB-UHFFFAOYSA-N 420.510 1.559 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539743557 KLQAUWHVHIHMIF-UHFFFAOYSA-N 424.509 1.463 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CCC)C1 1539750543 ANQQNNOBQHKGIY-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCc1cccc(C(N)=O)c1 1540044179 NXRZOGGCSNEBKP-UHFFFAOYSA-N 405.462 1.889 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1540067353 FCXDSSRBAFHLJG-UHFFFAOYSA-N 405.476 1.390 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1540724840 WQMSSNDYTDMQLK-KRWDZBQOSA-N 423.535 1.696 30 10 HDEE CC(C)[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1542161987 ZJTTZEDJUJASCR-HEQHKCQXSA-N 423.539 1.911 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)CN(CC)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1543060312 JNZBIBVAUGNDCU-UHFFFAOYSA-N 422.570 1.812 30 10 HDEE Cc1nnc(N2CC[C@@H](OCc3ccccc3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1543241193 JEMKKEUBQSMYKC-HMDOMZECSA-N 422.489 1.908 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCNC(=O)C(C)C 1543317711 CRERZHJSAALFAQ-HNNXBMFYSA-N 411.514 1.126 30 10 HDEE CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1547812448 FDRRTQVCLDBJHG-AWEZNQCLSA-N 422.449 1.963 30 10 HDEE CCS(=O)(=O)NCCCn1c(C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1548334481 UWEFFZKODZTVAJ-UHFFFAOYSA-N 402.524 1.957 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCC(=O)N2CCOCC2)cc1 1554819396 CGAXEQDEFAHIJS-MRXNPFEDSA-N 412.494 1.941 30 10 HDEE COCCOCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555714993 MZHKFCQWIQZZMZ-OAHLLOKOSA-N 400.487 1.016 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CS(C)(=O)=O)C2)n(C2CCCC2)c1C 1560184942 POVFQWLNCRGYKD-KRWDZBQOSA-N 422.551 1.776 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)nn1 1564958045 DCRGVWGKADEIIU-CQSZACIVSA-N 404.446 1.016 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(OC)c(C(=O)c3ccccc3)c2)C1=O 1583211527 VHPXWCXOSITVOK-UHFFFAOYSA-N 421.409 1.842 30 10 HDEE C#Cc1ccccc1CC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182178 DXGKQDWUCKHBSO-SFHVURJKSA-N 420.531 1.751 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1 1585593434 FUMYABYGDGXODT-MRXNPFEDSA-N 402.426 1.049 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4cnn(C)c4)C(=O)C3)n[nH]2)c1C 1587294781 YTUKWFWFMQPCDZ-UHFFFAOYSA-N 408.466 1.299 30 10 HDEE C#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CCOCC1 1587814591 FTOCQNCWWSVTMH-HXUWFJFHSA-N 404.532 1.948 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc2[nH]ccc12 1587909464 LOHKLLLEJUJARB-CQSZACIVSA-N 400.508 1.682 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588035649 WMJLATSMSPDVGA-RTBURBONSA-N 402.520 1.471 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588045867 RWMPEEYKNBEKNK-SFHVURJKSA-N 414.531 1.877 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1588139035 CEXQVXYTKPZCHA-LSDHHAIUSA-N 420.514 1.833 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@@](C)=O)cc1 1588224011 MNUPYYJUVBQKME-HZAQMHFWSA-N 423.542 1.619 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1588445910 UMYXTAHWBGXZHT-UHFFFAOYSA-N 418.461 1.341 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCOCCCO)CC1 1588877159 XKRTXGGKRGWSDM-RTBURBONSA-N 419.570 1.351 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)(C)C)CC1 1588969216 XSPCOJLBPKKEJP-UHFFFAOYSA-N 404.584 1.801 30 10 HDEE C=C(C)COCCn1c(CC(C)(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1593747384 VMOZCUIXMUXTDL-UHFFFAOYSA-N 413.588 1.977 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595500948 GYUBDAODRUOBMA-SJORKVTESA-N 411.462 1.924 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@]2(CCOC2)C1 1595561885 FZJTZELJXOJUSZ-LJQANCHMSA-N 403.508 1.228 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](c2cccc(OC)c2)C1 1595766883 ZXAXJULBVNMVIH-GOSISDBHSA-N 406.508 1.774 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](C)[C@H](OC)C1 1595797438 GLUGFVBJFMKERS-YESZJQIVSA-N 412.556 1.982 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1596483615 CNGRUMPDJABHOZ-NYHFZMIOSA-N 424.505 1.462 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1598269085 DCLREZINTBDSMQ-SFHVURJKSA-N 405.502 1.987 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1ccc(O)nc1=O 1603548144 HQJKFQTTWXVSAB-LBPRGKRZSA-N 400.863 1.491 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3C[C@@H](C)OC)CCN2C1=O 1615674986 AUYFJIZTPPXJRK-RHSMWYFYSA-N 423.477 1.324 30 10 HDEE C#Cc1cccc(N(C)C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1615693809 ZRZBFQKNCVJCNV-UHFFFAOYSA-N 400.456 1.771 30 10 HDEE Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1616337488 ZERMIMUEJZBBLP-SCLBCKFNSA-N 404.879 1.751 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1617635401 CTORSIMYVBXZCM-HYVNUMGLSA-N 402.524 1.875 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccnc(OCCO)c3)CC2=O)cc1Cl 1618653672 IETKPJDJKDITQC-CYBMUJFWSA-N 400.822 1.969 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](OCc3ccccn3)C2)s1 1622419075 YUSNFDNTTCUWEU-MRXNPFEDSA-N 421.544 1.968 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(C(=O)OCC)CC2)s1 1623999047 KNGXVPVSPRZTEP-UHFFFAOYSA-N 415.537 1.492 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H](c1ccccc1)N(C)C)c1cc[nH]n1 1625652283 YCUVUVGFHCMBBE-KUHUBIRLSA-N 401.467 1.501 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc(CCC#N)cc2)c1 1626259526 FGXASLBNVWVMBI-UHFFFAOYSA-N 416.503 1.974 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(NC(=O)Cc4cccnc4)cc3)C[C@H]1CS(=O)(=O)C2 1627136212 BKXVPJWFZYPQQC-LAUBAEHRSA-N 424.482 1.273 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCCNC(=O)c2cccc(F)c2)c1 1629163268 ABFYCARSSMTZGO-UHFFFAOYSA-N 421.425 1.812 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@@]1(C#N)CC12CCCC2 1630189183 CAJFHZFGEARXJB-SFHVURJKSA-N 406.464 1.806 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(C(=O)NCCO)CC2)CCCN1C(=O)OC(C)(C)C 1630819420 KNWFRRIVCOLGQF-NRFANRHFSA-N 407.511 1.127 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1631262713 XPYVUXYLXXHBSK-CVEARBPZSA-N 408.499 1.470 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)c1 1633854566 XGIJAGPMHPKKPA-UHFFFAOYSA-N 424.475 1.200 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918796 NZBVVQBBEQBROX-SFTDATJTSA-N 417.469 1.906 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)[nH]n1 1637086362 HXPQJEQCYXYMLD-UHFFFAOYSA-N 416.478 1.773 30 10 HDEE CN1CCn2c(CCNC(=O)c3cnn(CCC#N)c3-c3ccccc3)nnc2C1=O 1637182509 GRBPEFDMPWXABV-UHFFFAOYSA-N 418.461 1.113 30 10 HDEE CC1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN(Cc2ccccc2)CC1 1637516068 YXJXQPTXQGBSTD-UHFFFAOYSA-N 407.474 1.506 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1638018988 PSCDDLGTHKTBDX-UHFFFAOYSA-N 404.532 1.725 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1=O 1639594962 WVFIDLLFGIOAKB-MSOLQXFVSA-N 417.531 1.846 30 10 HDEE CCOC(=O)C[C@H]1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)c2ccccc21 1640463219 SXZJXZZZULNSSC-CQSZACIVSA-N 410.430 1.684 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)cc1 1644341960 YWERMXRWRTUXRV-UZLBHIALSA-N 421.567 1.160 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1644428198 AVJJGIRDJJTFFG-GFCCVEGCSA-N 419.275 1.810 30 10 HDEE N#Cc1cncc(CNC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 1645029844 IZMLFANTZHZSJH-QGZVFWFLSA-N 400.460 1.341 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](O)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1648002944 XJOJEEHKOWSQBR-KRWDZBQOSA-N 404.492 1.578 30 10 HDEE CC[C@](C)(C#N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1650819693 QHBQEYJAXFITJA-LDNFRZNASA-N 406.483 1.967 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CO)(C(F)(F)F)CC1 1653090538 RPWCZLNUALYPQK-LBPRGKRZSA-N 419.425 1.388 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NCC(C)C)ccc2Br)C1 1653281282 FZTMOLUERYNGDV-UHFFFAOYSA-N 415.309 1.204 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3C(=O)NC(C)(C)C3=O)n[nH]2)c1C 1653790025 RABBNEVFVSZPCQ-UHFFFAOYSA-N 413.482 1.526 30 10 HDEE O=C(CN1CCN(Cc2nc[nH]n2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1654093975 IHTRKKCTLIWROC-UHFFFAOYSA-N 406.412 1.109 30 10 HDEE N#Cc1ccc(-c2nnc(CN3CCc4sc(S(N)(=O)=O)cc4C3)o2)cc1 1654294125 JDZYAJIWUASINN-UHFFFAOYSA-N 401.473 1.875 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@H]2C 1654717591 FZUGTUCLHVEBEU-CYBMUJFWSA-N 400.522 1.426 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCc3cc(Cl)nnc3C2)CC1 1654853043 VBNRXXIKTQQCJR-MRXNPFEDSA-N 416.938 1.959 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 1657443114 HTKONHFRGULRHG-STQMWFEESA-N 403.526 1.476 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NCc2ccc(OC)c(S(N)(=O)=O)c2)cc1 1663674994 AKNKXWXPGAGCSV-UHFFFAOYSA-N 410.517 1.940 30 10 HDEE COc1ccc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc1C#N 1664152686 HGPZWXODRDAUNV-UHFFFAOYSA-N 418.475 1.501 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)cc1 1665968860 IAMRBPGGUJSEFB-DOMZBBRYSA-N 401.510 1.048 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)cc1 1667956246 MEGXGLAFVGVPNG-CRAIPNDOSA-N 409.556 1.249 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1678987106 WQWLCZCNEDZKDX-MSOLQXFVSA-N 422.551 1.156 30 10 HDEE C#C[C@@H](NC(=O)N1CCCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1683681753 UOQJTXUWJQLSNJ-OAHLLOKOSA-N 414.325 1.800 30 10 HDEE O=C(NCc1ccccc1)[C@@H](c1ccccc1)N1CCN(C(=O)NCC#CCO)CC1 1684876622 GPBFZTFBSUWBPM-JOCHJYFZSA-N 420.513 1.367 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1686939593 LRRSOGOZJOKVMD-ZWNOBZJWSA-N 415.231 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689844913 LECWSRXEZXTIMH-OAHLLOKOSA-N 417.473 1.061 30 10 HDEE C#CCN(c1nnc(CC)n1CCCOC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1689991830 DFAGOCPKOATDLT-INIZCTEOSA-N 410.540 1.053 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1690021307 PAZNZSXEWXCOSQ-QGZVFWFLSA-N 414.506 1.906 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C(C)(C)O)cc2)CC1 1690109430 QWUUNMZBPOPIBY-UHFFFAOYSA-N 424.549 1.447 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690235629 BTKFPUGHCSYDIG-BDXSIMOUSA-N 421.542 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690663435 WQEZNLRWLRVHTP-CVEARBPZSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN2CCCC[C@H]2C1 1690673006 KXDHVMMWRYVWCG-IBGZPJMESA-N 424.549 1.854 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CC)C1 1690709769 LCOGHJSIEDBHRA-ZWKOTPCHSA-N 402.543 1.666 30 10 HDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1690976107 SHWOOCIUTJAYFB-CQSZACIVSA-N 422.493 1.457 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1696580345 UODFLOUJKMJUFG-QFIPXVFZSA-N 421.505 1.544 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1696590945 VMHRAGWKBBJMDA-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1696808031 WUUCHHUGTQVASK-FQEVSTJZSA-N 417.535 1.849 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1697041869 CIQXEGNFDAWNGV-PVEMMZBWSA-N 416.482 1.101 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCOC(C)(C)C1 1698060820 HPPFNXRZNVKADV-SFHVURJKSA-N 420.558 1.649 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705532176 HSEIOTPOGINRNH-RTBURBONSA-N 414.554 1.328 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCc2nccs2)CC1 1705634987 ODNLOGMZBLPWDF-INIZCTEOSA-N 404.540 1.457 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)C1 1705697062 JTLAGFNCGYJACT-NUJGCVRESA-N 407.515 1.262 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1705744860 QXZODSBMYPQUPK-SJORKVTESA-N 422.961 1.814 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC)C1 1705883233 ANMTWRNZFGJNTN-MRXNPFEDSA-N 416.526 1.986 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCS(=O)(=O)C2)o1 1707353781 DOGYEUJATFMDHD-SFHVURJKSA-N 405.480 1.136 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)CCOC1 1710415709 BODLNFPRBBTRCL-SQGPQFPESA-N 406.531 1.389 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1710894089 CIZFSRIDNQQJSU-GOSISDBHSA-N 421.502 1.420 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1711401204 KNMRZZZNWPCUEY-OALUTQOASA-N 424.505 1.758 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1722345317 OQWUHNQTZIKCGS-AWEZNQCLSA-N 405.524 1.233 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(Cl)cc2)CC1 1722428940 DDEZBSLTDZVOAC-UHFFFAOYSA-N 412.925 1.971 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCC(=O)NCCC)CC1 1722439154 RBTLHLPOKCIWIA-UHFFFAOYSA-N 408.550 1.849 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1722568752 YMMVYHHTEHSUEK-JKSUJKDBSA-N 417.535 1.966 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1)C1CC1 1722643805 BWGVDTDNBAWODK-UHFFFAOYSA-N 402.543 1.516 30 10 HDEE C=CCn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722691031 OURSMGKBHPJCDW-NHCUHLMSSA-N 416.526 1.990 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H](C)O1 1726666362 KJKCLRKRYMVWQL-CPUCHLNUSA-N 423.477 1.419 30 10 HDEE CC/C=C\Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1727870321 UMODNPHZTQTBAZ-XDXAGZTOSA-N 410.478 1.646 30 10 HDEE COC[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730553646 STSWTABUSYYEMV-DVEDPGPFSA-N 416.526 1.965 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1(SC)CCN(C)CC1 1730762379 FODBENYFKXWSBK-QGZVFWFLSA-N 422.599 1.976 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1730921936 BWMBQACFCDZWKK-OAQYLSRUSA-N 410.478 1.339 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1740742914 GHHPGNGKIGLPBK-ZJUUUORDSA-N 424.221 1.905 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1741400667 SCKNWHXBARPDIA-FWSRSQSESA-N 416.526 1.963 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N(C)C(C)=O)CC1 1748765590 MPKWOOJDPNGMRT-HKUYNNGSSA-N 403.527 1.863 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCCC)cc1 1748770298 AJBTULFUDMJNRF-OAHLLOKOSA-N 405.524 1.795 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CCC(O)CC1 1748783911 YMCPPPBHUKAQAR-UHFFFAOYSA-N 419.533 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1748834356 KKHVJKOJAPJREU-LJQANCHMSA-N 422.533 1.862 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1748906592 ALVTUZUIWSVABG-GHTZIAJQSA-N 405.543 1.499 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)c1ccccc1 1748929837 QJXDHOOTCBTXAI-KRWDZBQOSA-N 401.536 1.776 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)(C)C)n1CCNS(C)(=O)=O 1748940632 OXPGLZMPHVESDI-UHFFFAOYSA-N 407.515 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1748989172 HJAPECQHNVZXNL-VGOFRKELSA-N 413.497 1.584 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(NC(=O)COC)CC1 1749031892 MMTFXPDXOODSSB-UHFFFAOYSA-N 414.535 1.438 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1749627581 RWXZZCSVSXLCCL-QRQLOZEOSA-N 402.543 1.695 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749671204 ZQGDBDVYWADDRN-QZTJIDSGSA-N 413.526 1.739 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1752277331 CKJWHRLBIBNGQE-HNNXBMFYSA-N 412.494 1.557 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CC(=O)NCC=C)CC1 1760264374 KSVZQQIKMJNRRK-UHFFFAOYSA-N 422.533 1.477 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2CCN(C(=O)OC)CC2)CC1 1760266364 WWTPXCXKWWJQID-UHFFFAOYSA-N 402.499 1.031 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@H]2C)CC1 1760402561 NFDXQUQOCXRFCL-SJLPKXTDSA-N 423.583 1.303 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1760450724 QOWMIPDXWUWLPU-QGZVFWFLSA-N 403.527 1.966 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(C)CN(C)C1=O 1760461572 YUVPEIPXLPIWGL-IBGZPJMESA-N 417.539 1.339 30 10 HDEE C=CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1760472877 GFBDWOHWLJAOHI-MRXNPFEDSA-N 405.528 1.257 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1760695862 BELWPFAVIAJLJA-OAHLLOKOSA-N 402.524 1.827 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1760696663 SGUMIFQEFPGDKJ-DNTCVELPSA-N 420.477 1.386 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1761479702 QUWDEDGSRPYJOY-IHRRRGAJSA-N 406.512 1.884 30 10 HDEE Cc1nc(CCn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1762317907 RKDYBDKHXUARLK-KUHUBIRLSA-N 402.503 1.584 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1767439605 NGIZAVZYFOOCAE-RTBURBONSA-N 400.414 1.885 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCC(O)CC2)C1 1768193820 IAZLBNOWVKSYNX-UHFFFAOYSA-N 410.522 1.889 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCc2nn(C)c(=O)cc2C1 1769566552 FFGAELREJBCDOW-CQSZACIVSA-N 405.462 1.508 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCc2nccn2C1 1770049823 GKDKIBURNNGDQL-IKGGRYGDSA-N 415.498 1.190 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC(COc2cccc(C#N)n2)CC1 1849152479 DZMLSECFQJLKPJ-QGZVFWFLSA-N 406.508 1.385 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)NCCN3CCN(Cc4ccccc4)CC3)cnc21 1851243768 FIPURALUGVEMCH-UHFFFAOYSA-N 402.502 1.993 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CC3(C(F)(F)F)OCCO3)CC2)nc1 1851696893 HCANEGBHZKSJGS-UHFFFAOYSA-N 414.384 1.314 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(CCOC(=O)[C@@H]2C[C@@H]2C)CC1 1851792847 VDJYXFJHZKGDPV-WMLDXEAASA-N 400.479 1.760 30 10 HDEE N#Cc1c(NC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)nc2n1CCCC2 1852305795 KMGFIXQDGDJLTA-UHFFFAOYSA-N 413.503 1.574 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2cccc(C)c2)C(=O)C1=O 1852984651 PGXHCKOHXVISTF-UHFFFAOYSA-N 407.426 1.652 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](Oc2nc(OC)cc(OC)n2)c2ccccc2)CC1 1853239212 FKRAHBQWLYAICH-FQEVSTJZSA-N 410.474 1.781 30 10 HDEE Cn1nncc1C(=O)N1CCN(CCOc2ccc(C#N)cc2)C2(CCCC2)C1=O 1853664735 CECIILKEVMUXOI-UHFFFAOYSA-N 408.462 1.363 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)C(=O)C2)C1 1853741197 KESVRELKRCCLPO-UYAOXDASSA-N 410.518 1.279 30 10 HDEE Cn1cnnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1853984302 SMPIZIHCZBZCMZ-QGZVFWFLSA-N 406.490 1.945 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)c2ccccc2F)C1=O 1854263374 SUAZUKUPLPSDQY-SFHVURJKSA-N 408.437 1.439 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854340497 XZBHJSVQDKTAMF-IBGZPJMESA-N 416.522 1.347 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CCC(=O)N(C(=O)C4CC4)C3)CC2)CC1 1854366487 JEYUBVXZBLTAQE-QGZVFWFLSA-N 400.523 1.636 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)c2cccc(C)c2n1 1854783481 FOWGNGBSJVNPTR-AWEZNQCLSA-N 400.460 1.378 30 10 HDEE C[C@H]1C(=O)N(C(=O)COc2ccc(C(C)(C)C)cc2)CCN1S(=O)(=O)CC#N 1854872610 NLXXWAGUTBHXFZ-AWEZNQCLSA-N 407.492 1.276 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@@H]3Cc4ccccc4O3)CO2)cc1 1855187470 ZDCMJVFONCZZAJ-YJBOKZPZSA-N 400.412 1.410 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1nnc(C(F)(F)F)o1 1855220200 GQYFMRBVZXITGZ-LLVKDONJSA-N 407.352 1.762 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCCN([C@@H]4CCOC4)CC3)CCC2=O)cc1 1855278530 WXVVOKYKYYFASF-TZIWHRDSSA-N 410.518 1.734 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(Cc3nnco3)c3ccccc32)CC1=O 1855370270 PKPSSFXGEAEEAY-LSDHHAIUSA-N 409.446 1.620 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)Cn4cncn4)C3)CC2)c(F)c1 1856165313 NRYUPUJXHSLZBX-SFHVURJKSA-N 410.453 1.576 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)C1(C)C 1856391422 ABBIUYDRCXIWJF-ZDUSSCGKSA-N 402.520 1.404 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)C2CC3(CCOCC3)C2)c2ccccc21 1856888560 KAWJIWHAXABAJP-UHFFFAOYSA-N 417.487 1.816 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3noc4c3CCCC4)C2=O)C1 1857119914 KJYMDXAGRVNUDV-MRXNPFEDSA-N 407.430 1.324 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2)c1 1861259760 CGZUOKOYPWXMDQ-ZWKOTPCHSA-N 415.877 1.428 30 10 HDEE C=CCNC(=O)[C@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861507273 DNUNIOZKNMYXDR-INIZCTEOSA-N 403.504 1.845 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(C(=O)O)cc1 1862559063 GUEYINSCIWXKMC-SFHVURJKSA-N 423.425 1.681 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862675360 IUYPJXASOIVKMF-GOSISDBHSA-N 414.389 1.951 30 10 HDEE CSCC[C@@H](C(=O)N(CCC#N)[C@H](C)C(=O)O)N1C(=O)c2ccccc2C1=O 1866331286 HSHOQUIAWZFUCG-DOMZBBRYSA-N 403.460 1.620 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(Cc4cnnn4Cc4ccccc4)cnc32)cc1 1870102460 UJBXCSNFPRCSSQ-UHFFFAOYSA-N 423.440 1.596 30 10 HDEE C#CCOc1cn(CCCN(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006253 XCKUPTKSWUOAQK-UHFFFAOYSA-N 418.519 1.072 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]1 1871653185 ALUICDZKRDHDTL-UHFFFAOYSA-N 405.865 1.518 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)ON2C(=O)c3ccccc3C2=O)CC1 1882599108 NACDWBBDXJQTGD-UHFFFAOYSA-N 417.462 1.978 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccnc(OC)c3)CC2)CC1 1889303455 RPPWNZQXCRASAO-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(OC)n3)CC2)CC1 1889303465 SHWDDDIHPPZFIY-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(N[C@H](CO)CNC(=O)OC(C)(C)C)n1 1900334417 RSWDOIOZHTZZGM-HNNXBMFYSA-N 407.320 1.987 30 10 HDEE C=C(Br)CN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1992002958 ZQYSBOWUJODQSW-NSHDSACASA-N 411.318 1.388 30 10 HDEE C#CCO[C@@H]1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2028810500 MDGDYKADPVWUGM-OAHLLOKOSA-N 404.488 1.363 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H]1CNC(=O)OC(C)(C)C 2174784477 OEISEVKVMXYAFV-CABCVRRESA-N 401.529 1.729 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2201817430 VYXYIQKJKJFXJV-IIDMSEBBSA-N 401.529 1.870 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2234454789 ZCMORNDQVWXQKR-BZUAXINKSA-N 400.545 1.539 30 10 HDEE CC1(C)OB(c2nc(NC(=O)[C@@H]3CCCS3(=O)=O)ccc2Cl)OC1(C)C 2241113479 OZIFJWVCSHTQPQ-NSHDSACASA-N 400.693 1.550 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243757320 PSWQWUJGWVVTFR-CYBMUJFWSA-N 411.283 1.817 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2247907946 LDUONCDZMGUCFY-KGLIPLIRSA-N 420.319 1.505 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC/C=C/CNC(=O)OC(C)(C)C 2247910684 NTJPCMWEZMPRSE-MDZDMXLPSA-N 420.319 1.530 30 10 HDEE Cc1c(C(=O)NCC2CN(Cc3ccccc3)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2255657029 JJHUCRLUCDCVQZ-UHFFFAOYSA-N 424.354 1.890 30 10 HDEE C=CC(C)(C)CCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258159688 YIDLYJSYHCYADU-MRXNPFEDSA-N 412.508 1.976 30 10 HDEE N#Cc1cccnc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258170789 NUKCSZJOVJBJAC-AWEZNQCLSA-N 404.404 1.075 30 10 HDEE CCc1nc(C(=O)N2CC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267170843 BFXZKBDDLLBRQH-GFCCVEGCSA-N 408.329 1.840 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282025336 NINXWPVFPYJKDH-LLVKDONJSA-N 402.347 1.385 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327178 DPCDKCPHVDHHSC-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CCOCCOCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333375 NNNGHKQJFKSCIY-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3(O)CCOCC3)c2Cl)OC1(C)C 2282640429 MZGBFNCIRVHRCW-UHFFFAOYSA-N 401.721 1.972 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@@H](O)[C@H](F)C3)c(Cl)c2)OC1(C)C 2282831551 AOIDXXFOKROKTO-CHWSQXEVSA-N 405.684 1.343 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]1CN(C)C 2282833944 NAWYUDSDGXZYHQ-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@](C)(CO)C2CC2)OC1(C)C 2282836435 KBSCUMFDLZQBDH-INIZCTEOSA-N 402.347 1.023 30 10 HDEE CON([C@@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282838750 UIZWWDHAJMAGPI-GFCCVEGCSA-N 402.347 1.270 30 10 HDEE CC(C)(O)[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848249 LDFICWDTADSULD-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282853026 XPJQZDOMLOFZEW-LBPRGKRZSA-N 401.315 1.373 30 10 HDEE CC[C@H]1CC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1 2282855388 CXCFZHZEJBLADN-STQMWFEESA-N 400.375 1.856 30 10 HDEE C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876008 WZGRLPSZRDVRHV-NWDGAFQWSA-N 401.721 1.783 30 10 HDEE C[C@@H](C(=O)O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284401365 HUCYBDKGUQZJKY-SNVBAGLBSA-N 401.315 1.389 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284405959 RRKFCPCREVVIAY-SNVBAGLBSA-N 403.693 1.781 30 10 HDEE CN(C1CC(C(=O)O)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284411931 QDXDCLVUUWXQGG-UHFFFAOYSA-N 401.315 1.531 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284413135 HCKDIVJOZJRRFJ-MWLCHTKSSA-N 407.294 1.445 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2287377057 SVBNFNZAQJSCSL-CHWSQXEVSA-N 401.529 1.348 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(F)(F)C[C@H]2CN)OC1(C)C 2296503219 LWIHJGOYZUJRMM-JTQLQIEISA-N 408.301 1.404 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC=CCNC(=O)OC(C)(C)C 2300230691 NDNWVZUVPNFDBF-UHFFFAOYSA-N 420.319 1.530 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316811569 PMNIJOJKBCOCSK-MRXNPFEDSA-N 408.520 1.947 30 10 HDEE COc1cc([N+](=O)[O-])c(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc1O 2323437653 HDDGHDIKCLDNFC-UHFFFAOYSA-N 408.348 1.468 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc([N+](=O)[O-])cc2)CC1=O 2329056057 CCNGMAKXPKZZCC-AWEZNQCLSA-N 418.479 1.877 30 10 HDEE COc1cccc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1O 2329056517 WHFTXKHWGUETRJ-CQSZACIVSA-N 419.507 1.683 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C 2365205844 VZBHBTYLVYQHGU-HOTGVXAUSA-N 401.573 1.342 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2365206538 HLECKNRMWFXMMI-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@H]1C[C@@]2(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365207646 PVXYGZXRUFJWEX-IPCTWKPDSA-N 400.541 1.195 30 10 HDEE COCC[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367792477 OYVULXBSNHUYPF-CRAIPNDOSA-N 401.525 1.592 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2367809984 SIBBEYFQBGCNHE-JYJNAYRXSA-N 400.541 1.163 30 10 HDEE CO[C@H](C#C[C@H](N)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369567096 AQARXJHOHDJLEC-BBWFWOEESA-N 400.541 1.460 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@H]1C[C@H]1C 23636396 JMHJQXGDNRBOJH-NEPJUHHUSA-N 419.434 1.467 30 10 HDEE N#Cc1cc(I)c(OC[C@@H](O)CNC2CC2)c([N+](=O)[O-])c1 43414897 XYDINKDGBYEKMA-JTQLQIEISA-N 403.176 1.563 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(NCc3ccco3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472631 FZAZLRQJFFAXBT-CJNGLKHVSA-N 419.397 1.970 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)c(OC)c3)C2)c1=O 101455764 ONLZAZSGSWGCJX-CQSZACIVSA-N 414.418 1.143 30 10 HDEE COc1cccc(COC/C(N)=N/OCC(=O)Nc2cccc(C(=O)N(C)C)c2)c1 148981152 VZXVCXQHUDRMHH-UHFFFAOYSA-N 414.462 1.841 30 10 HDEE CC(C)N(C[C@@H]1CCCN(CCO)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208090313 CVPXGLYYEHGLRY-QGZVFWFLSA-N 404.364 1.695 30 10 HDEE CSCCCN/C(S)=C(/C(=O)c1cnn(C)n1)[n+]1cc(O)cc(Cl)c1 283948515 FSGXMWHRRHLFBS-UHFFFAOYSA-O 400.937 1.743 30 10 HDEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)nc2ccccn12 302062539 CAIAUQRMJIERSH-UHFFFAOYSA-N 403.414 1.995 30 10 HDEE CC(C)(C)OC(=O)N(c1cc(C#N)cc(B2OC(C)(C)C(C)(C)O2)n1)C1CNC1 382079615 VMUALYVRFSIZHJ-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3ccccc3OCCO)CC2)c1C#N 460530175 QKXQQMOGKUQIRE-UHFFFAOYSA-N 401.492 1.726 30 10 HDEE Cc1ncc(S(=O)(=O)NCCCN2CCN(Cc3ccccc3)CC2)cc1C#N 489127742 JWSJSOZRIQMVII-UHFFFAOYSA-N 413.547 1.748 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2)CC1 498357028 WORLCFIBIXTFIW-HNNXBMFYSA-N 423.920 1.687 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccccc2)C1 504433147 FKJJRLURTDABKT-MRXNPFEDSA-N 410.478 1.853 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 505363254 ZHLVDHMHCJPPLV-NRFANRHFSA-N 400.523 1.974 30 10 HDEE C=CCOCCCC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 505823058 BMWYNRZEPNKCPZ-GOSISDBHSA-N 403.527 1.351 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1 506085875 NODVDCGLLIVILY-MRXNPFEDSA-N 411.412 1.933 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3ccc4ccccc4c3)n2C)CC1 508561138 FSAOGPNNZCANEZ-UHFFFAOYSA-N 404.518 1.983 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508905773 AUTFESICNQDTKO-OAQYLSRUSA-N 405.462 1.094 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccc(F)cc3)c2=O)c1 515688046 YFTAHNBFFJQSEI-UHFFFAOYSA-N 423.469 1.686 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]3C(=O)OC(C)(C)C)CC2)o1 533929678 LNEJFGQUABUOPC-QGZVFWFLSA-N 417.510 1.700 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)[C@@H](C)n1cnc(C#N)n1 540606555 PRCNLGOXBRERIE-CQSZACIVSA-N 416.507 1.721 30 10 HDEE COc1c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cnc2c1cnn2C 541439747 YINSNUKYMCHVRD-KRWDZBQOSA-N 404.430 1.774 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2cccc(C#N)n2)CC1 544864720 GCHYXWGZQWPOGB-CYBMUJFWSA-N 405.505 1.030 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 545490016 UUEODZUCLDKILN-UHFFFAOYSA-N 409.446 1.049 30 10 HDEE Cc1cccc(CN2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)c1 546916332 ICFWVEMVHZZGOK-UHFFFAOYSA-N 418.545 1.728 30 10 HDEE CC(=O)N[C@@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)C1 548950403 LGFMJFAVOTXBLM-OAHLLOKOSA-N 400.866 1.962 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 554970399 IOPTUIZAYXPDPN-UHFFFAOYSA-N 423.476 1.751 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccn(Cc2ccccc2)n1 560241207 LQYVUDRDCLSHRW-INIZCTEOSA-N 423.498 1.786 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cccn2)CC1 567452465 ZAFPNSQHLRVODP-QGZVFWFLSA-N 404.540 1.869 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 569383600 OHJFLZZBPPFXMA-QGZVFWFLSA-N 421.523 1.745 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@]2(CCO[C@H](C)C2)O1 570865056 NHQYUSCXOORTAK-ZRGWGRIASA-N 407.492 1.022 30 10 HDEE CS(=O)(=O)NC1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CCCCC1 603806383 XBEMEWCQDDJXIR-UHFFFAOYSA-N 420.539 1.037 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 610426853 DOSHQRUTNHAVMX-ZDUSSCGKSA-N 421.500 1.117 30 10 HDEE Cc1cc(C#CCN)ccc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703979500 PHKOZDRNQQEXSJ-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE CC(C)(C)CC(=O)N1CCN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CC1 726584270 DQUWTVYUEOIWKU-UHFFFAOYSA-N 411.506 1.860 30 10 HDEE N#C[C@H]1CN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CC1 732647721 KTEZJDNWQDYQOZ-UONOGXRCSA-N 403.464 1.460 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733805821 OQBNEEHRJGWQFN-MSOLQXFVSA-N 422.441 1.622 30 10 HDEE CC(=NN=C1NS(=O)(=O)c2ccccc21)c1ccc(N2CCCS2(=O)=O)cc1 741163397 RFTHUEUXOQYIHG-UHFFFAOYSA-N 418.500 1.689 30 10 HDEE CC[C@@H]1Oc2cc([C@H](C)NC(=O)CCN/C(O)=C3/N=CC=CC3=O)ccc2NC1=O 746330892 ABRYCFWRNUPWQA-VXIXXHMJSA-N 412.446 1.890 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Nc2ccc3c(c2)OCC(=O)N3)[C@H](C#N)C1 756112663 DPAKDWCFEAWVSL-BXUZGUMPSA-N 401.423 1.898 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 756217171 KQVMEBXCYZENJO-CYBMUJFWSA-N 424.475 1.753 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2occc2C)c1=O 758061079 SPAHOQGOQKGTAD-UHFFFAOYSA-N 404.447 1.839 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 765051028 RSFLMCSXLAYTQH-CQSZACIVSA-N 404.515 1.942 30 10 HDEE CN1/C(=C\C(=O)COC(=O)c2ccc(S(N)(=O)=O)cn2)C(C)(C)c2ccccc21 769838482 JWZDWRLZEFYRHM-ZDLGFXPLSA-N 415.471 1.766 30 10 HDEE Cc1cnc(N)c(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 773230041 AIEOEPPYIJDVGB-LTGZKZEYSA-N 423.520 1.586 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)N1CC(=O)Nc2ccccc21 780178353 DGEFMFBRSSCXHY-HXUWFJFHSA-N 401.419 1.777 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 781001499 OAPDEHVLYFVNDT-PCCBWWKXSA-N 404.470 1.307 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 783066208 XZZLYQQQKPIIRJ-UHFFFAOYSA-N 423.491 1.530 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)CCc1nc(O)c2cnn(-c3ccccc3)c2n1 783546328 KIEJKKWZNMYCBJ-UHFFFAOYSA-N 415.475 1.171 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 784128607 PRNBOOLUCGKMAR-QGZVFWFLSA-N 420.510 1.475 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)[C@@H](O)Cc1cnn(C)c1 786859978 GOYDKTUIVPYHGG-CJNGLKHVSA-N 402.476 1.757 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 800707541 SJAGCLHWISFCDT-LZICOFPGSA-N 412.494 1.635 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)OCc2cc(Cl)ccc2OCC#N)CC1 803935826 CROJEKHRGDEHFU-UHFFFAOYSA-N 401.872 1.462 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccnc2C(F)(F)F)n1 805083150 MTTRGYRYLOTBAQ-UHFFFAOYSA-N 402.398 1.767 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCc2cnn(C)n2)c1 806225951 YRDJPGSJENPRFW-HAVVHWLPSA-N 419.511 1.730 30 10 HDEE C#CC[C@@]1(C(=O)OC[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 808596636 NJTMZBJOHVHLKW-BEFAXECRSA-N 414.524 1.604 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)CCc1ccccc1Br 812495046 IKXYUCLNHYUFKA-AWEZNQCLSA-N 420.350 1.444 30 10 HDEE Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCN(O)C2=O)c1 820178961 CFVQJKRRADCHEO-QGZVFWFLSA-N 403.460 1.824 30 10 HDEE CC(C)(C)c1nc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)cs1 920394428 OCMPWZGFQAYLSQ-AWEZNQCLSA-N 400.529 1.869 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)cc1 1115913763 WNJVVFFZESSKBX-SFHVURJKSA-N 400.442 1.527 30 10 HDEE C#CCCOc1ccc(C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1125426436 JEFOGBMVEVXUJF-UHFFFAOYSA-N 417.443 1.705 30 10 HDEE C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@H]1CCOc2ccc(Br)cc21 1126228145 FYMSTAALIVFIBO-CWRNSKLLSA-N 407.264 1.767 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C#N)c2cccc(Br)c2)C1=O 1127691191 MHJTYPGPOHHJAK-ZIAGYGMSSA-N 408.252 1.542 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1132306190 HCERMACRIGGAJY-AFBRZQFHSA-N 419.865 1.744 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCc4c(CC(N)=O)cccc4C3)CC2)o1 1132346608 IGEYTEAQGLWSHZ-UHFFFAOYSA-N 407.474 1.684 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1133977744 CBQNXGUQLIUQBS-CABCVRRESA-N 401.529 1.999 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1136807697 AUMUATYXLFEHDO-UHFFFAOYSA-N 403.435 1.591 30 10 HDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NCCOCCS(N)(=O)=O)cc1 1140236536 KBNAABSTOIRZJC-UHFFFAOYSA-N 407.423 1.525 30 10 HDEE Cn1ncc(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1141508567 DQRPPYPKJZJFDC-RDYUPDBUSA-N 402.499 1.651 30 10 HDEE COCCOCCN1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CC1 1144290786 BMCMGSIGKVFOSD-UHFFFAOYSA-N 411.506 1.885 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2 1153764048 MOZMXDYQSDPQRQ-UHFFFAOYSA-N 420.409 1.540 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)cc1C#N 1154581565 CYQCQXOUYSMWMR-HNNXBMFYSA-N 417.466 1.664 30 10 HDEE Cc1cccnc1CCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1157811774 RSEYOXIWIAQLQJ-HNNXBMFYSA-N 400.504 1.956 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)cc1 1179687908 CRVDMDJIZFZKEG-UHFFFAOYSA-N 412.393 1.469 30 10 HDEE CS(=O)(=O)Nc1cccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c1 1184272546 JGGYVKDOXSFDIU-UHFFFAOYSA-N 417.443 1.576 30 10 HDEE Cn1c(=O)[nH]c(N2CCCC[C@@]23CCCN(C(=O)OC(C)(C)C)C3)c(C#N)c1=O 1187896714 HOPHROHAAXLWMY-FQEVSTJZSA-N 403.483 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl 1190986387 UPWZOJDFZPPTPO-QWHCGFSZSA-N 401.872 1.782 30 10 HDEE O=C(NCC#CCO)N1CCN(c2nn3cc(-c4ccc(F)cc4)nc3s2)CC1 1235580050 DDGOJNHUPACTLR-UHFFFAOYSA-N 414.466 1.424 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)NCC(=O)NCC#N)C2 1271771683 VKQGSXLROOOUHX-AWEZNQCLSA-N 418.450 1.126 30 10 HDEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1279542352 XPWXYWVXUVMEIW-UHFFFAOYSA-N 401.916 1.845 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1286276817 TVAXJENUEHGHJY-ZDUSSCGKSA-N 417.539 1.141 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC1(O)CCC1 1286291724 XZZHOSKJJFPPQG-HNNXBMFYSA-N 406.490 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1286303254 PZHDQFYMQZBVSG-XGHQBKJUSA-N 401.511 1.587 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1286305979 PYWJUEBHYIDIMF-DZGCQCFKSA-N 423.564 1.936 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCCC3)n2Cc2nnn(C)n2)c1 1286310153 BTJFOTCISJGXTI-UHFFFAOYSA-N 419.493 1.564 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286397236 YJUWNVFHQRXOEY-IAGOWNOFSA-N 406.552 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1286415332 ABRUXFHJDOYRKY-ROUUACIJSA-N 413.501 1.234 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(O)CCOCC1 1286424173 SKIIZXAKVAPWOP-UHFFFAOYSA-N 408.458 1.678 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C1CC1)N(C)C 1286426409 UXIXJSZXSPHEFB-SFHVURJKSA-N 408.506 1.809 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1286463721 LFNRHPUCPISEDU-UHFFFAOYSA-N 418.461 1.056 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1286479088 JYWUJMOQIHSKRB-UYAOXDASSA-N 422.533 1.760 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@@](C)(CC)O2)CC1 1286483402 JQTZMUUUSAVZBT-PGRDOPGGSA-N 414.554 1.503 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286710963 GAJPPHSXRISCDG-ROUUACIJSA-N 407.515 1.454 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCOCC1 1286722721 QYJWJOQAEVASHI-UHFFFAOYSA-N 423.521 1.537 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(C)noc1C 1286779458 RPIMAITZIAOBFR-UHFFFAOYSA-N 401.471 1.058 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(F)(F)C1 1286785986 LXBCSFMOPLRVRR-UHFFFAOYSA-N 415.404 1.742 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CC2)C1 1286798949 PRNHVGIADFJJDM-OHZJNBGDSA-N 407.540 1.207 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC=C(C)CC1 1286825647 UONSOOQBGSFABM-IRXDYDNUSA-N 410.540 1.759 30 10 HDEE N#Cc1ccc(C2(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCOCC2)cc1 1287727667 CDFDENBSSJDWHL-IBGZPJMESA-N 418.453 1.821 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1288990679 OVHDUSLTYRDBNX-UTKZUKDTSA-N 410.478 1.324 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@H]2CC)n1Cc1ccc(C#N)o1 1292132821 CWKTXWCMTZAQOO-MRXNPFEDSA-N 413.482 1.424 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(F)cc(I)c2N)CC1 1294722428 KGDCFJALJAUAGK-UHFFFAOYSA-N 416.194 1.211 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1CCN(CC)C1 1297187512 BXYITPPYBCQBBQ-HNNXBMFYSA-N 411.510 1.691 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1300485019 SWIQAYFUADODJL-OAHLLOKOSA-N 410.931 1.578 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1CCC(OC)CC1)[C@H]1CCS(=O)(=O)C1 1300493868 WTLGEWHGDZCDDY-NXYGQSRBSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCn1cnnn1 1300519979 CXCWBHUNZYFDPO-UHFFFAOYSA-N 406.450 1.112 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC(C)(C)C)CC1 1300693358 XAMIHMAKHBJTCM-UHFFFAOYSA-N 419.533 1.877 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)COC)CC1 1300719917 VLQKREOKPXFWRU-UHFFFAOYSA-N 410.522 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2occc2C)CC1 1300723616 XUFBVOAITFZLQE-MRXNPFEDSA-N 410.478 1.145 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300767866 GWCGFZKIKXUUIO-IAGOWNOFSA-N 413.551 1.221 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1300848020 ACRPRKLJWPULIF-CHWSQXEVSA-N 419.345 1.704 30 10 HDEE C#CC[C@]1(C(=O)N2CCO[C@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1301738464 VLVLPIJDQUHZFR-XMSQKQJNSA-N 421.538 1.339 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCOC1 1302145557 MUGMYXFHWIXXES-OAQYLSRUSA-N 412.494 1.553 30 10 HDEE CCOCCN(C)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314469881 FVGRTDPFABHLAH-ZPHPHTNESA-N 402.499 1.935 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1314627741 HRWJTWBSOAFUEP-QGZVFWFLSA-N 409.494 1.717 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315733338 BKADMOARJYTIOD-VQTJNVASSA-N 424.505 1.537 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCSC(F)(F)F 1316297484 LAMJDVHYVCLAOV-XQQFMLRXSA-N 421.445 1.984 30 10 HDEE Cc1noc(CSc2ccccc2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1318695795 ZJZOLCSGZZGXJI-HTXNQAPBSA-N 413.459 1.927 30 10 HDEE COC(=O)[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1330305633 FTQZYCXGDAWYHR-CJNGLKHVSA-N 420.516 1.670 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CC(Oc3ccc(C#N)cc3)C2)=NO1 1343489527 HROVEYNPHBSVPA-OAHLLOKOSA-N 400.435 1.817 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)nc1Cl 1351661236 LGXNDEPXUZVIEP-KRWDZBQOSA-N 412.833 1.873 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)Cn3ccc(Br)cc3=O)CC2)nc1 1358456193 GHRDDBLHQPBUHH-UHFFFAOYSA-N 416.279 1.663 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cc(C)on2)CC1 1359044626 KKGKXGPTLIVDOW-GOSISDBHSA-N 412.494 1.830 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CCOC)[C@H](C)C1 1359105205 LFYHPTXNWCPWAS-HBFSDRIKSA-N 407.559 1.953 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@](C)(CC)C1 1359127282 MWEXHAHTEZSDFR-MAUKXSAKSA-N 415.560 1.486 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@H](C)C(=O)NC 1359328786 ODIBJVWEBOEZDF-ZDUSSCGKSA-N 409.512 1.266 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@](C)(C#N)C2)CCO1 1360784412 FFQMMDFNLXTPPA-HRAATJIYSA-N 415.542 1.470 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1360784551 HBDJVTRZHPFWAL-KXBFYZLASA-N 420.539 1.184 30 10 HDEE N#C[C@@H]1COCCN1C(=O)c1cnn(-c2ccccc2)c1I 1435169222 UYMPRGRCRLBHBY-GFCCVEGCSA-N 408.199 1.841 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@H](C(=O)OCC)C3(COC3)C2)CCCN1C(=O)OC(C)(C)C 1439089303 RORPLHYHIVZGRV-KSFYIVLOSA-N 420.506 1.818 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 1440325153 CZJKOGHVTDBMFI-INIZCTEOSA-N 414.462 1.984 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(S(C)(=O)=O)CCCC2)s1 1449109646 ZBBDBMMDVKMUAR-UHFFFAOYSA-N 420.578 1.229 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)Cc2cccc(F)c2)cc1 1450303090 WRJBDLLONYTOLB-KRWDZBQOSA-N 405.451 1.351 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O[C@H]3CCOC3)CC2)s1 1451177636 JUSPUCXHGHZZTA-HNNXBMFYSA-N 414.549 1.551 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cccc(C(=O)OC)c3C2)c1 1452190614 LTKQJOKEPPHZKX-UHFFFAOYSA-N 412.467 1.583 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)CC2=O)cn1 1454672714 ACNGGPGABTXUPM-VGSWGCGISA-N 422.489 1.361 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)nn1 1462045769 JLIMERKOJOSMQZ-UHFFFAOYSA-N 421.523 1.378 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]12CCCN(CC1)C2 1469624572 XTNLXSUJWQTSPX-DYESRHJHSA-N 418.563 1.742 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 1470863376 BROKFLINNLKSKD-NHCUHLMSSA-N 410.518 1.548 30 10 HDEE C#CCC[C@H](O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322243 RAZCXKHPBZVQDZ-SJORKVTESA-N 409.527 1.866 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC[C@H](n2nncc2I)C1 1471497810 PBNZXAXNOGMAAT-STQMWFEESA-N 413.263 1.144 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C2)C1 1471505835 YNTKFROOFCGQIN-ZTSYMILTSA-N 411.524 1.465 30 10 HDEE Cc1ccc(CC(=O)N2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1473138487 UZOTUQFBZCOEOC-UHFFFAOYSA-N 415.493 1.981 30 10 HDEE N#Cc1ccc([C@@H](C(N)=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1473748409 UDFYFJVKOHRIHG-GMAHTHKFSA-N 404.470 1.588 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1Cl 1473850199 ISIJMYYPENBZPH-HNAYVOBHSA-N 420.922 1.765 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCN(CCCO)C2)cc1 1475973149 FFHSEVTXMWODIM-KRWDZBQOSA-N 410.540 1.461 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3cc(Br)ccc3F)C[C@H]1CS(=O)(=O)C2 1478739945 DEUJKXOLWYLALI-NHYWBVRUSA-N 416.272 1.668 30 10 HDEE C#CC[C@@H](COC)NC(=O)N[C@@H](CO)c1ccccc1I 1479060913 QDZGMSHHLJAQHE-FZMZJTMJSA-N 402.232 1.662 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1504522102 DFWRGBCIKJHWNC-QZTJIDSGSA-N 415.519 1.437 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCCO)CCO1 1505321540 CBBPKAHQNOINEU-HNNXBMFYSA-N 423.477 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCOCCS(C)(=O)=O 1507520860 HIZQVQKEIUPVED-AWEZNQCLSA-N 421.479 1.372 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](OC)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1507627899 UKNIIDCADRBXDJ-QZTJIDSGSA-N 406.483 1.740 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C2CC2)N(C)C)CC1 1507733110 OQMLUSFKLAWBDH-UFYCRDLUSA-N 416.570 1.098 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(OC)CCCC2)CC1 1507741072 KNXGWYGNQFEHAL-UHFFFAOYSA-N 403.527 1.740 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC)C1 1507751895 OVDCCMDUPUTIOA-AWEZNQCLSA-N 419.507 1.224 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508135221 FVPIXEBVGCWUQO-OAHLLOKOSA-N 403.508 1.213 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(Cc2cscn2)CC1 1508144585 GGNNKBZWMMFTJS-UHFFFAOYSA-N 410.569 1.220 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)[C@@H](C)C1 1508242281 MYGSXZHKLUJWCM-KBXCAEBGSA-N 407.478 1.152 30 10 HDEE CC1=CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1511374114 IEEZWOALSHNGHG-OSCRUYLVSA-N 412.494 1.855 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1517347279 MLXTWZGXWJQAKK-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1520705720 GYKAADFJRRKIIT-FPOVZHCZSA-N 400.523 1.817 30 10 HDEE Cc1nc(SCC(=O)NCCCCn2cc(C(N)=O)nn2)c(C#N)c(C)c1C 1525248515 ACWQFEBWBZSFHV-UHFFFAOYSA-N 401.496 1.258 30 10 HDEE Cc1cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)ncc1C#N 1537723143 FSVVBSXXRXSKAN-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539218818 DSCIUTZGBAQYRG-SFHVURJKSA-N 421.611 1.979 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ncccc1N(C)C 1539237708 JARQJTWTPLXQOB-HSZRJFAPSA-N 422.533 1.901 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1539264104 WEMULCNOMHLFFA-GOSISDBHSA-N 407.522 1.806 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCCS(=O)(=O)c1ccccc1 1539265695 JLOFPYVOJSLIMK-SFHVURJKSA-N 412.515 1.719 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1539343102 DUUNGLXFOWXRCN-FOIQADDNSA-N 417.535 1.182 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1539519135 CFAMNVKXBBFIJQ-LJQANCHMSA-N 423.546 1.732 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539783466 WCJCDGRNOFBRJP-CQSZACIVSA-N 406.830 1.557 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCS1(=O)=O 1540068877 DTWPXFKDSOVYDN-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1540186932 IYTYDSUCMMFKCB-FQEVSTJZSA-N 420.535 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](N2CCCC2=O)C1 1540867874 KTFVEZYRERARMH-OAHLLOKOSA-N 412.469 1.588 30 10 HDEE CC(C)NC1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1541708771 JYQNAHDIEFAJEI-CZIZESTLSA-N 413.526 1.649 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)Cc1cccc(F)c1 1542756230 XTJOUTATUGZUGL-KRWDZBQOSA-N 405.470 1.907 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1542885730 GXEBHDVDCVQPCU-QGZVFWFLSA-N 423.558 1.632 30 10 HDEE CC(C)C[C@@H](CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)NC(=O)OC(C)(C)C 1542978813 YGJPJJNMLZYQBS-DNZUHHBVSA-N 408.499 1.959 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nnnn3CC2)cc1 1544462975 MXOCTFMRZYHHIW-ZCBJIMFGSA-N 417.495 1.077 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1545060734 ORLURBOQDMLFBQ-YQQAZPJKSA-N 410.478 1.621 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1 1556737744 MYCDNHSVUOBXQC-STQMWFEESA-N 409.936 1.515 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)cc1 1557328816 RDRVUWMBINDSMP-NUJGCVRESA-N 422.503 1.075 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ncc(C#N)cc2C)CC12CN(C(=O)OC(C)(C)C)C2 1558548236 UIPQELNCRGBHSX-HNNXBMFYSA-N 414.462 1.744 30 10 HDEE N#Cc1csc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 1558599265 MOGAMLFEIBQTGI-OAHLLOKOSA-N 410.459 1.181 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COCC3CC3)c2)CC1 1562265817 LSXBJAGUERABAQ-UHFFFAOYSA-N 406.508 1.230 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 1563923124 VYIPWFKAWQSUAR-OAHLLOKOSA-N 423.535 1.984 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)c1ccc(Cl)cc1F 1564999858 LVHYVRYGTKKSAF-KRWDZBQOSA-N 410.877 1.243 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)cc1 1570537535 DEFHSPINMISRHB-UHFFFAOYSA-N 424.526 1.169 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1584624843 DHTRAESEJPVPGY-LSDHHAIUSA-N 413.482 1.126 30 10 HDEE COC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc2n1CCC2 1587304316 YQOCBXZPVBSESY-UHFFFAOYSA-N 416.459 1.946 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCSCc1ccccc1C#N 1587320666 DSGHOWWTKMSBHA-UHFFFAOYSA-N 406.508 1.549 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1NC(=O)CC1(C)C 1588112819 BONPITMSCHGSRS-SFHVURJKSA-N 405.458 1.661 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC1(S(C)(=O)=O)CC1 1588144238 XZGNOKGXGORTDN-UHFFFAOYSA-N 418.469 1.797 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1588314786 QVQVRLOBHWAOSH-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1CC2(CCOCC2)C1 1588558889 AGWGZDPERYZWJL-UHFFFAOYSA-N 415.538 1.807 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H]2CCO[C@H](C)C2)CC1 1588968353 JEEQVNKLHADFKC-QZTJIDSGSA-N 417.554 1.986 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1595530218 XDMKHCXMXVWYLU-UHFFFAOYSA-N 407.478 1.397 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1595562159 PDZYRWZEAGAVMB-QGZVFWFLSA-N 402.543 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOC(C)(C)[C@H]1C 1595812490 VWFSJEAJXUAVGO-MRXNPFEDSA-N 419.551 1.868 30 10 HDEE CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1597765606 CVCKKTDZABBDFJ-IAGOWNOFSA-N 404.515 1.012 30 10 HDEE N#Cc1c(NC(=O)c2cn(-c3ccccc3Br)nn2)nc2n1CCOC2 1617125716 NAKJNDSYSOPULQ-UHFFFAOYSA-N 414.223 1.880 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2COc3cc(F)ccc3C2)cc1 1618177929 XRNAVWXYAMQPBJ-MRXNPFEDSA-N 403.435 1.751 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)C1 1618632723 DSBCIEMGKSDJKZ-YBOAYWMSSA-N 424.505 1.319 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)Nc2ccc(OC(C)(C)C)c(C#N)c2)CC1 1624973350 FBJJZOPLWSACQO-UHFFFAOYSA-N 415.494 1.938 30 10 HDEE COc1c[nH]c(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cc1=O 1626004186 MURKZOQGBPQUFL-HEHNFIMWSA-N 404.448 1.449 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(Cc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1627136393 GVLZPJQEYCXERI-SCLBCKFNSA-N 405.476 1.883 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 1628318072 ZNUYFEXGCHULDJ-HXUWFJFHSA-N 401.507 1.628 30 10 HDEE N#Cc1cccc(C2(NC(=O)c3ccc(F)c(S(N)(=O)=O)c3)CCOCC2)c1 1629648057 YRXUJPVIALXUHY-UHFFFAOYSA-N 403.435 1.780 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)NCc2ccnc(C#N)c2)c1 1635746188 WLJOLLIAOWTRSK-UHFFFAOYSA-N 402.476 1.922 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)C1 1638393059 VOLQQLYXAWCJLF-SFHVURJKSA-N 412.490 1.873 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@@H]2CC2CCCCC2)cc1 1639371228 AXFHWVJVRWTSPA-IBGZPJMESA-N 417.531 1.509 30 10 HDEE CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1639963574 ZOQOGAVAISRPHD-LJQANCHMSA-N 401.488 1.971 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](C#N)CCc1ccccc1)CCS2(=O)=O 1640208678 STZSBXKFBOBDML-LWLAFGSWSA-N 418.515 1.774 30 10 HDEE Cc1ccc(C(=O)NCCOc2cncc(Cl)c2)cc1S(=O)(=O)NCC#N 1640526866 ADTJRWDMAXCBRJ-UHFFFAOYSA-N 408.867 1.654 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(Oc2ccc(C(=O)N(C)C)cn2)CC1 1641263441 UPMUJLSJBXOAMG-UHFFFAOYSA-N 409.446 1.748 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1641288218 IYWBKALZCKOXIW-YOEHRIQHSA-N 410.923 1.745 30 10 HDEE Cc1cc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)n(-c2ccccc2F)n1 1641346966 GWIUQGCXVHPVQR-UHFFFAOYSA-N 422.420 1.797 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCCF)CC1 1643478896 KBKNLOPLXCTAGJ-KRWDZBQOSA-N 424.542 1.788 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1644461608 GLHKAYKVAJWHKI-CQSZACIVSA-N 401.916 1.579 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1645274656 SOHSNEPHXSLSBU-IRXDYDNUSA-N 406.527 1.106 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1648939858 BWPWZBUOFRYSJX-LJQANCHMSA-N 422.526 1.940 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1649674653 CGDZKANEJWAOSD-JOCHJYFZSA-N 421.505 1.257 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H]3CCC4(CCOCC4)O3)CC2)cc1 1653740392 CJMBFBMEMZDHDU-SFHVURJKSA-N 405.520 1.593 30 10 HDEE C#CCOCCN(C)C(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1654000103 CRSISJAPYRTJTL-UHFFFAOYSA-N 406.426 1.872 30 10 HDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1 1655431372 PLTZCIOJVGQNRA-QHCPKHFHSA-N 422.485 1.776 30 10 HDEE Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)ccc21 1656002215 BRNOKVJEPUZZPC-UHFFFAOYSA-N 404.473 1.576 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1656066958 DLODPGYIBCINFO-IBGZPJMESA-N 420.531 1.968 30 10 HDEE CN(C(=O)Cn1nnn(-c2ccc(Br)cc2)c1=O)C1(C#N)CCCCC1 1656886456 ZKZQXGVTYZXFAT-UHFFFAOYSA-N 419.283 1.876 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)CC1 1659367845 RNTWIUKEFPVTBA-HNNXBMFYSA-N 420.535 1.640 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1666153790 XTDIOFIQWVBVAA-CQSZACIVSA-N 413.471 1.397 30 10 HDEE CN(C[C@H](O)CN1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1667890708 COEWHYIGCQEKEF-SFHVURJKSA-N 411.462 1.902 30 10 HDEE C#CCC1(NC(=O)Nc2cc(C(=O)N3CCOCC3)ccc2OC)CCOCC1 1673957677 PYKHSYDNNZAZLM-UHFFFAOYSA-N 401.463 1.862 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 1676708244 CRIYJYRUCBLQNA-UHFFFAOYSA-N 412.519 1.883 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1676930891 XTQRUWCAPUKRHR-CQSZACIVSA-N 400.292 1.603 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1c2ccccc2C[C@@H]1CNC(=O)C(F)(F)F 1680684763 HESFCQYSTLCRJZ-CYBMUJFWSA-N 419.425 1.407 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CCOC1 1682635866 KDZMTJNFLLIPIA-QUCCMNQESA-N 424.505 1.831 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3ncn(-c4ccccc4)n3)CC2)c1C#N 1682884472 GOFIEHSCMCPYJO-UHFFFAOYSA-N 408.491 1.936 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1)C1CCOCC1 1684034233 AFCNPQDAWGUBMD-MOPGFXCFSA-N 406.504 1.601 30 10 HDEE C#CCN(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1nnc(CC)s1)C1CCN(C)CC1 1686399253 NZCUGCZAKBTCNA-KBPBESRZSA-N 406.556 1.803 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1689937281 UZNDRRWHOZNZOR-UHFFFAOYSA-N 408.510 1.239 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1690063996 WPAKNTRKKPVNRU-UHFFFAOYSA-N 405.524 1.426 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC1(S(C)(=O)=O)CC1 1690105105 SZACDBJUISPIRZ-UHFFFAOYSA-N 420.510 1.671 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(OC)CCC1 1690189837 DBQBLULPXGFMFN-MAUKXSAKSA-N 409.556 1.840 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690507790 WWQWAMJYDDFNCM-HRAATJIYSA-N 419.526 1.596 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1690524525 NFBDZLDPTBVLLG-ZIAGYGMSSA-N 416.448 1.505 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCOC1 1690615756 QMXMZBDEQMGBIC-NRFANRHFSA-N 416.478 1.507 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1690739977 FJLMYESXEVRGOS-KBPBESRZSA-N 410.569 1.912 30 10 HDEE Cc1n[nH]cc1CCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1692916724 FOKXVCOZLNBVRI-LJQANCHMSA-N 400.462 1.507 30 10 HDEE Cc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCCNS(C)(=O)=O 1693255769 QCSGFSZYZIDWKO-HNNXBMFYSA-N 404.540 1.713 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1698004839 DJKJHSJMENGZJM-KRWDZBQOSA-N 419.507 1.389 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@H]2CCCO2)cc1 1698488193 MCIPKFNYBUTTPR-GOSISDBHSA-N 410.478 1.339 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1705539820 DBILPOLXYFSVQP-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705564302 BOZXEBREMFBJGG-PMPSAXMXSA-N 414.503 1.131 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(C)CN(C)C1=O 1705602335 QSCNMDGNPFCTLB-HSZRJFAPSA-N 421.501 1.807 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1705604415 LUZYEPZJLQDKGT-ZDUSSCGKSA-N 408.528 1.682 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1705698980 AZBYYPOFGKAIHX-DAYGRLMNSA-N 418.542 1.561 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705818279 FKJNOYDLBQIBOY-INIZCTEOSA-N 424.509 1.016 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1711206219 WRAWTLNEGSDIAF-UHFFFAOYSA-N 419.507 1.125 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CCOCC2)cn1 1711251708 QVNRICSNPGCPQC-GOSISDBHSA-N 415.498 1.241 30 10 HDEE COC1(C(F)(F)Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1711586521 WOVIZWGVTDKWJN-CQSZACIVSA-N 422.436 1.833 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(C)cc1)N1CCOCC1 1722351640 AKMVEQLZKKWXKK-WOJBJXKFSA-N 422.533 1.681 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1722431939 QOLCNJKTNTYELK-ZWKOTPCHSA-N 423.521 1.496 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1722458033 BWOURYHPHUXPNO-HZPDHXFCSA-N 412.519 1.648 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(N2CCNC2=O)CC1 1722464494 IBQFWAXJDOYEOX-MRXNPFEDSA-N 404.540 1.490 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(N3CCOCC3)CC2)CC1 1722573272 RXFIJWXOHJICRU-UHFFFAOYSA-N 402.543 1.684 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@](C)(CC)C1 1722725558 NHOQJRMHQUTEPB-LJQANCHMSA-N 405.524 1.946 30 10 HDEE CC(C)(C)n1ncnc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1722969197 MNICSCGBKUIEST-GJZGRUSLSA-N 400.487 1.296 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cn[nH]c2)CC1 1729167888 MDDZFDXDSFMPIJ-UHFFFAOYSA-N 420.521 1.941 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1731140896 TXUHWUWBAMHCDM-PGVRVYGSSA-N 423.477 1.074 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCNC(=O)C2CCC2)C1 1731182936 PXKKHDCWARGPII-HXUWFJFHSA-N 417.489 1.149 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C(N)=O)nc1 1740540516 WDOKIDPJPIDNQG-ZDUSSCGKSA-N 405.418 1.853 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1740623847 BSDUHXHLIDFYFF-INIZCTEOSA-N 408.549 1.594 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1740627838 SRRRZMMAYAXTQH-QGZVFWFLSA-N 401.536 1.855 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1740662226 PUNYIKRBYXUBLB-ZWOKBUDYSA-N 424.615 1.858 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C(C)(C)C1 1740951831 OSTAYEGLEANGKK-KGLIPLIRSA-N 412.560 1.063 30 10 HDEE CC(C)(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741200597 YCJVEMDBYKHZHZ-MGPWXQLLSA-N 413.482 1.122 30 10 HDEE CC(C)Cc1nnc(N2CCC[C@@](C)(C#N)C2)n1CC1(O)CCS(=O)(=O)CC1 1741461311 DOIBFOJOKZAOJI-SFHVURJKSA-N 409.556 1.546 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1748642329 NGLPFVJLNALWSH-ZHRRBRCNSA-N 411.506 1.924 30 10 HDEE C#CCCCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1748723869 BRTZASVCTALNEI-IBGZPJMESA-N 411.506 1.920 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1748811082 BHRWKFKAIXDTJR-MRXNPFEDSA-N 417.535 1.859 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(CC)CC1 1748882763 FIRLCIIUBHIANC-IBGZPJMESA-N 408.554 1.168 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1748962260 DBDYFEINHPJBQK-ZZEZOPTASA-N 412.494 1.548 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC(C)(C)N2CCOCC2)CC1 1748990282 GNUXVQMYQQAZDA-IBGZPJMESA-N 416.570 1.386 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1749154107 MAOOFTYLDLYSCH-QZTJIDSGSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1749669000 BILIOALFEUJEEY-WMZOPIPTSA-N 424.505 1.534 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CC2([S@@](C)=O)CC2)C1 1749715493 SQEMAJOQKUNDIM-YMGMXPECSA-N 401.536 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1749721752 SPJLOFINIPGTTN-UHFFFAOYSA-N 411.572 1.745 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCO[C@@H]2CCOC2)cc1 1750384483 BMPDQFKPDQNQKF-LJQANCHMSA-N 413.478 1.761 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1760119578 AXZVNYVYZNNOQQ-HNNXBMFYSA-N 400.508 1.409 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1760153471 RWIBGNQAWCQPAS-JKSUJKDBSA-N 416.526 1.994 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1cccnc1 1760172864 BNCKMGAZZWYHAU-UHFFFAOYSA-N 424.530 1.903 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1760185714 BRTBRSKSQIFEJG-MSOLQXFVSA-N 421.611 1.978 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1760187790 GSOIBFTZKJSLGG-KRWDZBQOSA-N 403.508 1.129 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CC1([S@](C)=O)CC1 1760199021 NDCOZAVRQMCZMR-LJAQVGFWSA-N 412.515 1.946 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCSC2)CC1 1760252680 UFVMZWOVZOYJFB-MRXNPFEDSA-N 411.535 1.434 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@]2(O)CCSC2)n1 1760252854 SGDMKXAXKTWSSM-LJQANCHMSA-N 404.540 1.191 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760430080 YPPHNFKAWHPFPA-UHFFFAOYSA-N 406.531 1.344 30 10 HDEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)CC1 1760447401 MRCIWHTYWASHJP-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(CC)CC1CC1 1760553896 LFLXIVYSODTNBJ-UHFFFAOYSA-N 421.523 1.843 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1768458142 HFYBLIVVGXUOPM-BEFAXECRSA-N 400.414 1.321 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1768670349 AQGNWCAWUNZOQD-ROUUACIJSA-N 410.478 1.169 30 10 HDEE Cn1nncc1Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769086829 DEKHHSWDHJJPCB-UHFFFAOYSA-N 407.482 1.578 30 10 HDEE COCCN(C)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1769792674 ABNUHOANQANRMK-GOSISDBHSA-N 423.521 1.657 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCc2ccco2)c1 1770347150 NOLRTHNNVKFLKT-SFHVURJKSA-N 422.445 1.592 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1770746569 BSGDAUCUODPQKG-RRFJBIMHSA-N 414.432 1.395 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1772842490 SWPREXBIKMSSQN-ZDUSSCGKSA-N 401.471 1.374 30 10 HDEE C=CCN1C[C@H](C(=O)OCC2(NC(=O)OC(C)(C)C)COC(C)(C)OC2)CC1=O 1849327311 FSAXLAVPVZSQHK-CQSZACIVSA-N 412.483 1.611 30 10 HDEE C=CCN(C(=O)Cn1nc(-c2cccc(Cl)c2)ccc1=O)[C@H]1CCN(C)C1=O 1850971578 DKNDNBQQARXBMQ-KRWDZBQOSA-N 400.866 1.809 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852051201 GEOBDFFMEVMRDG-UHFFFAOYSA-N 401.370 1.966 30 10 HDEE O=C(COCc1nc2ccccc2[nH]1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852508266 MENHTCQSDJHGQB-UHFFFAOYSA-N 404.370 1.950 30 10 HDEE N#CC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C2=O)CC1 1853789754 NNNDTPRCCBDUCZ-IEBWSBKVSA-N 400.523 1.921 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)CCc2c(C)noc2C)C1=O)[C@@H]1CCN(C)C1=O 1854059405 JXUKRRVVYNHLBJ-RBUKOAKNSA-N 416.522 1.850 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2csc3c2CCOC3)C1=O 1854226944 SPYPGXCCJVDWON-JKSUJKDBSA-N 403.504 1.281 30 10 HDEE Cc1ccc(CN2CC[C@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)cc1 1854244966 CEUYCACDBMTVDP-NRFANRHFSA-N 403.486 1.821 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@@H]1C 1854788525 IPGWVPQOJLUSRV-HOCLYGCPSA-N 424.523 1.080 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)COc3ccc(OC)nc3OC)C2)CC1 1855015331 HMXOUHUBOWYXRM-INIZCTEOSA-N 403.479 1.751 30 10 HDEE Cc1nn([C@H](C)CC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c(C)c1Cl 1855019136 JHSKQHQXIIKXBO-RHSMWYFYSA-N 420.945 1.763 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1855163650 QGCQQULPLXPIMD-JKSUJKDBSA-N 402.520 1.525 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCC#N)[C@H](C)C2=O)cc1 1856192593 AMHQXEZYXHVNIV-OAHLLOKOSA-N 407.492 1.222 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C(=O)[C@@H]1C 1856289296 QUJMZSSPIKTMBK-HOTGVXAUSA-N 408.462 1.057 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3c(C)cc(C)cc3C)C2)CC1=O 1856904979 UZJDZJHKOKIUHM-IAGOWNOFSA-N 422.503 1.494 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncc(F)c1 1856906900 RIVWIMPMWWXYHP-UHFFFAOYSA-N 416.434 1.874 30 10 HDEE C=C(C)CN1C[C@@H](C)C(=O)N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1857039176 ZKJZTSGZXPSWMV-RDTXWAMCSA-N 419.503 1.181 30 10 HDEE Cc1ncc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c(C)c1C 1857111089 WMNHVDIHRKGBHZ-LJQANCHMSA-N 405.458 1.778 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@@H](CN4CCC5(CC4)C[C@H]5C#N)CC3=O)nc2n1 1857220372 QEKQJPAWNGOMJL-CVEARBPZSA-N 407.478 1.356 30 10 HDEE Cc1ccc2nc(CN3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)cc(=O)n2c1 1857421514 OQNNTMRROHXYNI-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 1861186415 IOROHAHLWSZWEY-AEFFLSMTSA-N 404.486 1.090 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4nccc(N5CCOCC5)n4)CC3)cc2)CC1 1890281803 DSOFTZQZCFIEKO-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE C#CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1891621808 ZARZJUMVYYYECK-KRWDZBQOSA-N 410.923 1.991 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1895876628 WPKFATSGCIPCHU-VQJWOFKYSA-N 410.320 1.811 30 10 HDEE C=C(CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)B1OC(C)(C)C(C)(C)O1 1991970522 CNJCAYXNTKAHGD-UHFFFAOYSA-N 409.336 1.843 30 10 HDEE C=CCn1ncc(NCc2c(Br)nnn2C)c(Br)c1=O 2145572858 NLKDVFWKUIJBSP-UHFFFAOYSA-N 404.066 1.695 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1 2174784216 LSJSCFXOPALOSD-MRXNPFEDSA-N 402.561 1.644 30 10 HDEE C#Cc1c(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)cnn1C 2217863572 SYVGNLHKZILKJH-SFHVURJKSA-N 404.423 1.168 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247821211 WVFZNUKWQIBHML-QWHCGFSZSA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829500 UAYDCPHIECXDBL-STQMWFEESA-N 420.319 1.885 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2247863235 OEJHRASKOKQLIA-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE CON(CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2248056478 QZWUXYAGVLLVFH-UHFFFAOYSA-N 422.291 1.304 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2248441345 LNCXNIOLLOUQJX-HOTGVXAUSA-N 422.331 1.915 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373079 YKKRDUMGHMHDRY-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE CC(C)N(CC(N)=O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499625 QVWBPNGEKJXATC-UHFFFAOYSA-N 402.347 1.073 30 10 HDEE CNC(=O)CN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282504935 WHGOCCJOBSALHR-UHFFFAOYSA-N 402.709 1.006 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](O)CC(F)(F)F)OC1(C)C 2282865974 BGBMZRQXAVTQKM-SECBINFHSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H](N)C(F)(F)F)s2)OC1(C)C 2282868063 IBRVIOOAFBVGPX-SECBINFHSA-N 414.280 1.605 30 10 HDEE CN([C@@H]1CCNC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282882854 RQRUHQCEKMXQQU-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](C(=O)O)C3CC3)cc2Cl)OC1(C)C 2284402304 IFBODAKEBXFUOM-LLVKDONJSA-N 421.733 1.842 30 10 HDEE C#CC1(NS(=O)(=O)c2ccc(I)c(C(=O)O)c2)CCC1 2288212557 HWBHVXFHAPUXMG-UHFFFAOYSA-N 405.213 1.824 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CSCCN(C(=O)OC(C)(C)C)C1 2342036456 DLBWDNKEYXPGQS-HUUCEWRRSA-N 402.582 1.755 30 10 HDEE CCc1nnsc1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2360883300 HRNGGIAQXLAVDM-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H](OC)CN(C(=O)OC(C)(C)C)C1 2365201623 AYMUAFNORVXZQF-ARFHVFGLSA-N 402.557 1.673 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783301 GJSTUAFFKMBKNY-HRCADAONSA-N 400.541 1.556 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CCOC[C@H]1NC(=O)OC(C)(C)C 2367791762 ZSFZDFAPAMTSHX-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CO[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367797264 UFBRTUNQMBIYCM-DNVCBOLYSA-N 401.525 1.734 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)c1cc(I)nn1C 2367798928 VTFLINYFZCNHOM-SNVBAGLBSA-N 407.277 1.256 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367809008 JAGILJUXIAFFPS-XHSDSOJGSA-N 400.541 1.306 30 10 HDEE COc1ccc(O)c(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1 58997902 NVBRTYUVYCJMRQ-PJQLUOCWSA-N 406.453 1.547 30 10 HDEE CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1OCC(=O)N(CC)CC 169899160 FXRYKIZNHONQGH-RGVLZGJSSA-N 402.455 1.565 30 10 HDEE C=CCn1cnc2oc(C)c(C(=O)NCCn3cc(Br)cn3)c2c1=O 222759027 UYCHBRJGPOLCIX-UHFFFAOYSA-N 406.240 1.873 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(OCC(=O)OCC)c2)CC1 437930077 INLOSODPJWRSFK-UHFFFAOYSA-N 404.467 1.080 30 10 HDEE COCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H]1C[C@H]2CC[C@H]1C2 447206539 AGROIGJDKHSFBA-XPYUAMARSA-N 405.520 1.889 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@]2(CC)OCCc3ccccc32)CC1 462163830 LHAJOWPXQFVNQQ-JOCHJYFZSA-N 400.523 1.494 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 464783749 PGUUNZPVQQMHJR-HNNXBMFYSA-N 416.478 1.851 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)C2)c1 465470116 TUAWQPCATQMVHN-QGZVFWFLSA-N 422.485 1.948 30 10 HDEE CCOC(=O)CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCC1 467189887 CINNYKPTGUGMPC-FQEVSTJZSA-N 416.497 1.952 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NCCN1CCN(C(=O)C2CCC2)CC1 477790405 BMZMQOAKABLSBZ-UHFFFAOYSA-N 413.522 1.269 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3cnn(-c4ncccn4)c3)C2=O)cc1 486931235 AYYAOZDUXCJPDK-QGZVFWFLSA-N 402.418 1.457 30 10 HDEE CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)c1cnc(C)c(C#N)c1 489113095 PYUXHZIRAIAIAL-KRWDZBQOSA-N 408.524 1.690 30 10 HDEE CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 505251238 LZPVOUOVOPVVSH-UHFFFAOYSA-N 411.506 1.094 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 509003215 WAADBSBXOAZUBZ-LJQANCHMSA-N 401.492 1.251 30 10 HDEE CC(C)(CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)N1CCS(=O)CC1 511091871 HIVRIMFCKRJPKC-UHFFFAOYSA-N 418.563 1.673 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 519188381 OZLKWRNEVLZSMW-CQSZACIVSA-N 407.544 1.582 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCS(=O)(=O)NCC3CCC3)CC2)cc1 527513987 AWISAXCMQNLATR-UHFFFAOYSA-N 420.535 1.831 30 10 HDEE CCn1c(=O)c(C(=O)CN(C[C@H](C)C#N)C2CC2)c(N)n(Cc2ccccc2)c1=O 532820627 VGCVWXXSBCWBHF-OAHLLOKOSA-N 409.490 1.467 30 10 HDEE CC1(Cn2cc(C(=O)N3CSC[C@@H]3C(=O)Nc3ccc(C#N)cc3)nn2)COC1 546069905 POAMQHNWLCYEAF-MRXNPFEDSA-N 412.475 1.340 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 546697314 IWGZLAKTSCXLDE-LBPRGKRZSA-N 424.413 1.097 30 10 HDEE CCOc1ccc(NC(=O)Cn2cc(C#N)cn2)cc1S(=O)(=O)N1CCCCC1 550012989 JADKLJUOELNMOH-UHFFFAOYSA-N 417.491 1.967 30 10 HDEE C#CCn1nc(CNC(=O)CCn2cnc3ccccc3c2=O)c2ccccc2c1=O 585171035 XNPLXBBXSUGOID-UHFFFAOYSA-N 413.437 1.446 30 10 HDEE C[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N(C)C1CC1 609213198 LBSXHCFNFFZWAH-OAHLLOKOSA-N 405.524 1.057 30 10 HDEE COc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1-n1nnnc1C 609255611 FJLIAUCGTDHTLW-UHFFFAOYSA-N 409.381 1.245 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)Nc1ccccc1C#CCCO 703984841 UDYNTMUWBVHGPW-UHFFFAOYSA-N 412.467 1.849 30 10 HDEE CNS(=O)(=O)c1ccc(I)c(B2OC(C)(C)C(C)(C)O2)c1 709924693 SHILZLIIDJCBND-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1)[C@H]1CCS(=O)(=O)C1 729334317 MDRCMIQQKKZQDB-ROUUACIJSA-N 402.516 1.614 30 10 HDEE N#C[C@H]1CN(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)CCN1C1CC1 732676565 KNPSCOOQWIODKY-FQEVSTJZSA-N 410.522 1.471 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(C#N)nc2)C1 734429726 WKNGNWYKWODXHF-OAHLLOKOSA-N 401.467 1.446 30 10 HDEE COc1cc(Cl)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Cl 735080467 HHMXPXORXYJWDO-PFONDFGASA-N 420.274 1.807 30 10 HDEE Cc1cc(C)nc(-n2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c(C(C)C)n2)n1 742666011 ZHMOQCRGYIJVAV-ZZEZOPTASA-N 423.477 1.659 30 10 HDEE C[C@@H](CC(=O)OCc1nc(-c2ccoc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 745496382 LWGXVCRARXSHNK-NSHDSACASA-N 416.415 1.890 30 10 HDEE CCCN1CCC(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 748775349 UCOIYBODDGDNCA-UHFFFAOYSA-N 406.552 1.744 30 10 HDEE C[C@@H](CCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)NC(=O)OC(C)(C)C 749878553 GFIZLHSBFYQJOP-AWEZNQCLSA-N 409.508 1.893 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 751273684 KHBVOYLMCMIDNV-JTQLQIEISA-N 418.374 1.467 30 10 HDEE C#CCN(C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1)[C@H]1CCS(=O)(=O)C1 751564112 VOEBHNIVUDUSKB-AWEZNQCLSA-N 405.444 1.087 30 10 HDEE C#C[C@H](CC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 754372409 YRGZPNVDBGSJOE-GFCCVEGCSA-N 415.309 1.612 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc(C(N)=O)cn2C)c1 755200809 ZOVYZWIKQJMMFX-LTGZKZEYSA-N 403.464 1.189 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C(=O)O)c1ccc2ccccc2c1 762205418 GJRHQUKVKVFSRQ-IBGZPJMESA-N 423.450 1.820 30 10 HDEE C#CCN(C(=O)NCCc1nnnn1C)[C@@H]1CCOc2ccc(Br)cc21 772076569 LSYXJKCEQWACJC-CQSZACIVSA-N 419.283 1.684 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)[C@H]1CCCO1 773057183 PGYWKIDQDOTMFG-UONOGXRCSA-N 418.309 1.933 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(CCc3ccccn3)c2=O)c1 776756584 QJVOOWLEONYHFM-UHFFFAOYSA-N 403.467 1.286 30 10 HDEE CCn1c(=O)n(CN2CCC(C)(C#N)CC2)c2cc(S(=O)(=O)N(C)C)ccc21 779878550 DDPSKZRDBYVNMB-UHFFFAOYSA-N 405.524 1.656 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCC(F)(F)F)SC1=Nc1cnn(CC)c1 783005507 CYFBWGUNBZJTCO-GFCCVEGCSA-N 401.414 1.926 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@](F)(C#N)C1 787376676 OFWFBPIASQWSCU-YJBOKZPZSA-N 411.455 1.180 30 10 HDEE COc1ccccc1C[C@@H]1CCCN1C(=O)C(=O)NCCNc1ncccc1C#N 787759866 PNSOVZKWDKJZOP-SFHVURJKSA-N 407.474 1.724 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2sccc2S(=O)(=O)N(C)C)n1 790104545 PONNSDIVJWWLPI-UHFFFAOYSA-N 410.521 1.117 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)n1 791016058 HZIAXFDBFMMABP-UHFFFAOYSA-N 420.447 1.117 30 10 HDEE C[C@@](O)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 791072540 NQTVKYXAJFSKLX-HXUWFJFHSA-N 407.536 1.953 30 10 HDEE C#C[C@H](CC)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 792745466 INDKBGSCAULUSC-CVEARBPZSA-N 417.535 1.501 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)CCNS(=O)(=O)c1ccccc1 796097421 NXKJZBHWUGZORL-GOSISDBHSA-N 406.529 1.519 30 10 HDEE C[C@H](C(=O)O[C@@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 798740003 HRPFJGIIVYIPAA-ZWNOBZJWSA-N 404.224 1.822 30 10 HDEE C[C@H](CC(=O)Nc1ccc(N2CCC2=O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 799039449 HADHDDSLLJEUDQ-CYBMUJFWSA-N 412.471 1.879 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 800928563 VFRXCBPUJWYXCA-KRWDZBQOSA-N 405.568 1.787 30 10 HDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C)[C@H]1CCS(=O)(=O)C1 809865355 LKJNDXPHWNYVMF-JTQLQIEISA-N 415.338 1.933 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N[C@@H]2CN(c3ccc(Br)cc3)C2=O)cc1 817028923 SGWKXKVRKXVYAM-HZPDHXFCSA-N 400.232 1.886 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c1=O)O[C@@H](C)C2 837865332 ZNQMYMJJZKHIOR-GUYCJALGSA-N 423.494 1.447 30 10 HDEE N#CC(C#N)=c1sc(=Cc2csc(Br)c2)c(=O)n1C[C@H]1CCCO1 914564761 AASZFYVJCXFHFV-GFCCVEGCSA-N 422.329 1.939 30 10 HDEE N#C[C@H](C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12)c1nnc2n1CCCCC2 917504738 CPWFPSQTCHFFFX-RPCCPQHDSA-N 402.524 1.907 30 10 HDEE Cc1nn(C)c(C)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]2CCCO2)c1=O 917769144 ZJIIAIWANHRMHB-HNNXBMFYSA-N 414.531 1.167 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2C(=O)/C(=N\O)c3ccccc32)c1 953035005 ZHUCTPJYMARPEL-XLNRJJMWSA-N 411.370 1.423 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)CC(C)C)CC2)s1 1136288543 YXWWJBGQIULXGF-UHFFFAOYSA-N 413.565 1.472 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1139810963 ASPPMZXZKFGLTH-SFHVURJKSA-N 407.474 1.717 30 10 HDEE CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1144763094 KTKOTNNVQUNOFN-AOIWGVFYSA-N 421.339 1.613 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(OCCO)CC2)C1 1151086905 MIDMDKCAYGXWDA-UHFFFAOYSA-N 408.296 1.757 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC(C)(C)CC#N)cc1 1161259483 GJEIRXYWPOBGQD-WMZOPIPTSA-N 407.536 1.990 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CC[C@@H](O)C[C@H]2C1 1166622363 DUQYFYMPAIITAB-HPFXQQBRSA-N 419.547 1.903 30 10 HDEE N#Cc1ccc(CC(=O)N[C@@H](CO)c2ccccc2I)cn1 1180277197 RMQDPDNSRXZVKJ-HNNXBMFYSA-N 407.211 1.950 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 1212416065 WSSCPMNQHTZFRT-UHFFFAOYSA-N 411.871 1.486 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1286338582 NMCHVNMISZJUHI-UHFFFAOYSA-N 419.555 1.368 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCCS1(=O)=O 1286375990 BRTOCRFRFVKXNX-YJBOKZPZSA-N 416.503 1.827 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccc(N2CCOCC2)n1 1286405597 FOTAJEJTYBVBHB-UHFFFAOYSA-N 415.501 1.636 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCc2ccccc21 1286407259 GRWSXIYVKOUNHC-LJQANCHMSA-N 402.502 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC1 1286424352 BJUUKJLNAAWLCA-UHFFFAOYSA-N 415.505 1.480 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1286430711 IUDKBASCYAMGRR-QGZVFWFLSA-N 404.536 1.460 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286506232 HAWOVQMXKCHFEU-CVEARBPZSA-N 404.540 1.442 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1287160705 FXDVHDVRKDSAMS-ZACQAIPSSA-N 401.515 1.078 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCC(C)(C)C1 1288169568 HEICQGISAXVCFA-INIZCTEOSA-N 403.531 1.267 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCCO1 1291217601 FCWINANAOFUJMH-MRXNPFEDSA-N 410.478 1.291 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@H](N(C)C)CC[C@H]32)c1 1295287274 YPVZDFVWJWHHCB-MISYRCLQSA-N 404.532 1.807 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300393524 GPEMGUJFALEXLZ-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1300493185 RZONGEWEGLJKMH-ZDUSSCGKSA-N 422.461 1.558 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1C[C@H]1CCCS(=O)(=O)C1 1300545087 IJEJLDZLFWTEGI-HXUWFJFHSA-N 410.543 1.961 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1300630484 VKIQKLSVBQQLEB-UHFFFAOYSA-N 417.473 1.886 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCS(=O)(=O)NC 1300635243 HXLGIKHKBODAES-UHFFFAOYSA-N 400.508 1.290 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2CC)CC1 1300699845 HWXRZMSFWVQTRH-IPMKNSEASA-N 419.595 1.762 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300855827 IFLZQESQUYLICZ-QYZOEREBSA-N 424.505 1.570 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1300890786 HUVRMXGUSVEVQB-IEBWSBKVSA-N 418.567 1.690 30 10 HDEE C=CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C)C1CC1 1301327112 MTYCZWAIZQCVSY-UHFFFAOYSA-N 410.526 1.695 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1301510179 UMLNINQSOWVHST-MRXNPFEDSA-N 412.494 1.088 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCO[C@@H]2C)C1 1301536032 RHNPTGPABWNJCV-QLVMHMETSA-N 421.542 1.518 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1301670024 IKFYPSMNKVASPP-KBPBESRZSA-N 402.517 1.114 30 10 HDEE CC(C)(C)C(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1302020483 CPPWBTJWQQKKAF-KRWDZBQOSA-N 414.485 1.899 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccncc2)CCO1 1302034490 MQNNJQUROPWMLD-MOPGFXCFSA-N 416.522 1.705 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CC1 1302478508 IHLOOAFHKTUGRB-UHFFFAOYSA-N 418.523 1.605 30 10 HDEE CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c1 1302585159 FUGLWMBIBKIJJN-UHFFFAOYSA-N 416.478 1.958 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)OC(C)(C)C)n1 1304484349 DTUWIQFOTYEDKW-OAHLLOKOSA-N 413.482 1.902 30 10 HDEE Cc1[nH]nc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c1-c1ccc2c(c1)OCO2 1306117904 NRWSWUCVFKBILX-CZIZESTLSA-N 409.402 1.969 30 10 HDEE C#CCCS(=O)(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1309917344 APVANGRXXVSYFK-CYBMUJFWSA-N 418.256 1.117 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)CC1 1312538950 NZNVAHKLOMVWMA-MRLCAUJQSA-N 418.519 1.719 30 10 HDEE CCNS(=O)(=O)c1cccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1312839319 ZCBWIJKIIZWIGW-UHFFFAOYSA-N 407.492 1.532 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](F)COC 1314389090 HLWCUQQQIVZUFE-MRXNPFEDSA-N 403.462 1.392 30 10 HDEE COC[C@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315893540 ZHVWGTOEEGBFCC-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1cccc(F)c1 1351294973 GTKDVPQYPMHKMG-GHTZIAJQSA-N 407.449 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1352183481 HPNHAJGQZZZGEX-OALUTQOASA-N 406.504 1.703 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358885851 SGGXOXICZCJYNY-GOEBONIOSA-N 423.443 1.846 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCCOC)C1 1358913710 WGXRKTPTXOVDTL-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCSCC1)[C@@H]1CCS(=O)(=O)C1 1358955893 VSGXLBSGFNLDGL-MRXNPFEDSA-N 411.597 1.077 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C1CC1 1358984340 QUDGQXDHCWLGKL-QGZVFWFLSA-N 405.506 1.871 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359048872 CUFJSBORPWQLEW-CVEARBPZSA-N 413.613 1.924 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NC)CC1 1359098870 HESSFKVVOYFXNT-SQNIBIBYSA-N 403.527 1.726 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnnn2C)CC1 1359174379 BDSTUEIQYUVBDP-FQEVSTJZSA-N 401.515 1.898 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)CC1 1359178035 HIZQIHPOBKZINK-GOSISDBHSA-N 402.543 1.744 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1359229775 UTKXQAQUKVNGBC-OXQOHEQNSA-N 407.515 1.190 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1359240176 ICFUPTKXMUKUTE-UHFFFAOYSA-N 412.542 1.943 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(F)c(OC)c2)CC1 1359299122 VZBOGKLBQPJTHQ-UHFFFAOYSA-N 414.485 1.932 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359300163 VNBPVEZHSZIKLG-JKSUJKDBSA-N 420.514 1.537 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359336426 PQFITBOEOOBWLZ-MRXNPFEDSA-N 419.555 1.437 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCS(C)(=O)=O 1359851510 ARVNNYGCQCTTRW-UHFFFAOYSA-N 417.539 1.114 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCO2 1439927767 UOQDXXDUDSYCQN-MOPGFXCFSA-N 407.492 1.684 30 10 HDEE CCN(Cc1ccccc1)C(=O)CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1442348261 WDWXOJGEGCEXFT-UHFFFAOYSA-N 417.462 1.901 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cc(I)ccc1-n1cnnn1 1449421382 GBOYMPJSZYCDLB-LLVKDONJSA-N 413.219 1.324 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCC3(CCOCC3)O2)s1 1456556983 HPPMQCQLCGWTSG-CQSZACIVSA-N 414.549 1.599 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1457008241 GQHADBLGGDVXDK-KRWDZBQOSA-N 423.535 1.690 30 10 HDEE C=CCN1CC[C@H](N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)C1=O 1460197580 OXOQVXLXDJQTQU-KRWDZBQOSA-N 411.549 1.254 30 10 HDEE N#Cc1cn(CC(=O)NC[C@@H](c2c(F)cccc2Cl)N2CCCC2)c(=O)nc1O 1464127193 CCSKMSNQPPGGLU-HNNXBMFYSA-N 419.844 1.566 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CC[C@](O)(CC#N)C3)nn2)CC1 1469406385 TZWRGDVSNFACQA-MGPUTAFESA-N 418.498 1.731 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 1470594232 SCSJKTRPIIOBMR-UHFFFAOYSA-N 415.515 1.790 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@](C)(CO)Cn3cnc4ccccc43)cc2C1=O 1472346499 MNGPPIIYDQBEFG-QHCPKHFHSA-N 418.453 1.999 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)Cn1cc(C#N)c(I)n1)C(=O)OC 1473050029 DXEGIOWAZWJDQO-KCJUWKMLSA-N 404.208 1.063 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1492589174 YPXKINXMUQUHJE-ROUUACIJSA-N 408.506 1.821 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(=O)OC)C1 1504659515 JWMCNOZBTIAWNH-INIZCTEOSA-N 422.445 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1507541895 NBDQOTNKKGMVFL-UZLBHIALSA-N 402.520 1.071 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC(O)CC1 1507549084 YJNMHMHOKDEMMO-AOIWGVFYSA-N 405.543 1.307 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507631280 NSDLWDAUWSCEMX-QWXGXRTQSA-N 410.565 1.083 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507635633 YAQHWCQEGBUIMQ-ZWKOTPCHSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC1(SC)CCOCC1 1507656005 BKBVSFAKPUANDO-UHFFFAOYSA-N 401.536 1.386 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1507657724 YRPBRUWTACBUSR-REWPJTCUSA-N 422.533 1.941 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCC(=O)N1CCOCC1 1507670975 XFRLGLKHKRRGHR-UHFFFAOYSA-N 419.529 1.889 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(C)CC2)CC1 1507733584 DRAWXTYNJIJSRK-UHFFFAOYSA-N 412.538 1.670 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncc(F)cn2)CC1 1507870176 FGSFJAOVGDPFPE-UHFFFAOYSA-N 420.880 1.409 30 10 HDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507945791 GBZULOGAFSBNGJ-OAHLLOKOSA-N 407.482 1.838 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507967036 GKCFJURDGLBTEZ-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1507970592 KUMZRBYCQZPOAI-KRWDZBQOSA-N 409.332 1.735 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(F)cc1 1508085983 JJICULVZDRCCFK-INIZCTEOSA-N 400.458 1.697 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CC1(O)CCS(=O)(=O)CC1 1508423901 LVLNNDXVGNCLCH-CQSZACIVSA-N 423.564 1.466 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(CC(C)C)n3Cc3ccc(C#N)o3)CCN2C1=O 1515755767 DLJUJRUREIINDD-MRXNPFEDSA-N 411.466 1.462 30 10 HDEE CN1CCN(C(=O)[C@H]2CCc3ccccc3N2C(=O)Cc2ccc(C#N)nc2)CC1 1516291251 DTSKSZZAXIVOFM-OAQYLSRUSA-N 403.486 1.618 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 1521310153 QZIJEPVRXFSLIT-LHSJRXKWSA-N 418.494 1.429 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn3c(n2)COCC3)cc1 1525818616 BJHGYJKCOSGEHM-PGMHBOJBSA-N 403.464 1.478 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)c(C#N)cn1CC 1528979202 GHEXINVVGTVSPZ-OKILXGFUSA-N 400.435 1.670 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2OC)CCCN1C(=O)OC(C)(C)C 1531664800 UIZCNJHUQIAQMI-HBUWYVDXSA-N 402.513 1.260 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3ccc(C[C@H]4CC(=O)NC4=O)cc3)CCO2)cc1 1536666049 QFTJJLFFDXETDY-PMACEKPBSA-N 403.438 1.977 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cncn1 1539015486 UMJMQUMRNNROCX-INIZCTEOSA-N 406.498 1.202 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC 1539239111 HPBJCVBMLUCOJM-OAHLLOKOSA-N 401.492 1.018 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1539259497 DBDQZGCBFSVVCI-IRXDYDNUSA-N 414.510 1.463 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2nc(C)c(C)s2)CC1 1539489775 NEIXMCUOTKNCSN-UHFFFAOYSA-N 416.551 1.902 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCCOc2ccc(C#N)cc2OC)C[C@H]1C(=O)OC 1540169125 RBVDPTSPNIAMSI-HUUCEWRRSA-N 404.419 1.146 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1540181979 DSMQEGFJGUDRCL-UHFFFAOYSA-N 400.483 1.430 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1540858199 LYDXPMJEZDATLY-OXQOHEQNSA-N 402.520 1.773 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)Cc1cccc(F)c1 1542756231 XTJOUTATUGZUGL-QGZVFWFLSA-N 405.470 1.907 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1)c1cc[nH]n1 1545853351 KLVGYPKERMSVHC-YJBOKZPZSA-N 414.462 1.978 30 10 HDEE COC[C@@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555335962 KPGIELUJEKAJEG-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1555492393 NENHXTVIRYNYSX-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)Cc1c(C)cc(C#N)cc1C 1556930480 QOBKSFNAEVQSCS-RHSMWYFYSA-N 403.504 1.687 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCOC(=O)CNC(=O)C(C)(C)C)C1 1557242901 FVTVMILNKGNZBE-SFHVURJKSA-N 414.506 1.691 30 10 HDEE COc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(OCCC(C)C)c1 1558806680 XZQYYLYADYMVML-UHFFFAOYSA-N 412.446 1.951 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)CC1 1569814768 DEYIDMYFDGJRIM-HSZRJFAPSA-N 405.502 1.629 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1nccn1C 1574469379 NEVWHUUIIVPYIR-SUFIHLRJSA-N 402.495 1.166 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1585081317 OZWBNTJYFSANOG-UHFFFAOYSA-N 421.416 1.705 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCC1 1585124179 WUVKDBUUQUBQIF-UHFFFAOYSA-N 412.533 1.709 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)C1=O 1586626921 JVIGEZIJNHNGNR-UHFFFAOYSA-N 421.251 1.242 30 10 HDEE Cn1cc(I)c(CNC(=O)Cc2ccc(OCC#N)cc2)n1 1587639108 GCZQTBQWBPEBMK-UHFFFAOYSA-N 410.215 1.786 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588029282 FNVSCBDPIWWKFT-HOTGVXAUSA-N 409.556 1.333 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054101 KRIVOESAEWFMSJ-HZPDHXFCSA-N 408.524 1.061 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588090233 ULKZLHOCUCXBCH-NYVOZVTQSA-N 414.506 1.341 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCNS(=O)(=O)CC 1588219204 OICFNEGKZNYJRK-UHFFFAOYSA-N 400.508 1.051 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1 1588765799 MOCBLSBPPJOCMJ-UHFFFAOYSA-N 402.472 1.749 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCc2nnc(C)s2)CC1 1588876757 HUTZLFWKBXZRIU-MRXNPFEDSA-N 401.540 1.678 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCC1(O)CCOCC1 1589164143 RJCUCFYYPIXUQA-IRLDBZIGSA-N 418.538 1.854 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccns1 1589195500 SLEMHRXDMPJROM-HNNXBMFYSA-N 406.533 1.955 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](NC3CCOCC3)C2)c1 1593680750 AZFURJWLMZYKRD-GOSISDBHSA-N 407.536 1.524 30 10 HDEE C=CCn1c(C2CC2)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1595393109 IGGQAADPEKFAIC-ILXRZTDVSA-N 423.539 1.468 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(F)cc1 1595570052 VHXLCWUQCZRFNP-UHFFFAOYSA-N 400.458 1.478 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)c1 1596932981 ANTYRYDHZUYNHV-ZDUSSCGKSA-N 401.419 1.979 30 10 HDEE N#Cc1cn(CC(=O)NCc2cccc(NC(=O)c3ccc(F)cc3)c2)c(=O)nc1O 1596937425 GWMINFQRCVUNNX-UHFFFAOYSA-N 421.388 1.528 30 10 HDEE CN(C)c1cc(C#N)cc(C(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)c1 1597522863 TVNADZFLXIQLEW-UHFFFAOYSA-N 400.504 1.946 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1607592702 FFXFMIJRLQRKEV-ROUUACIJSA-N 404.559 1.952 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@](C)(O)CCC(C)C)CCOC1 1616260997 GGYIKRORQMXMCW-JRGCBEDISA-N 421.542 1.846 30 10 HDEE CO[C@@]1(C(=O)Nc2ccc(C#N)cc2I)CCS(=O)(=O)C1 1616833386 GSJPBIKENRCNPT-ZDUSSCGKSA-N 420.228 1.305 30 10 HDEE COc1cccc(/C=C(\C(=O)N2CCC3(CC2)CC(=O)C=CO3)n2nnnc2C)c1 1617947164 LGIUVMDZCOJOCF-CPNJWEJPSA-N 409.446 1.853 30 10 HDEE COC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618911150 ACWYOYZEWYLGIW-UHFFFAOYSA-N 406.450 1.695 30 10 HDEE C=CCOc1ccccc1CNS(=O)(=O)CCCS(=O)(=O)C(F)(F)F 1621799651 ZPYLOHRSNCXHIH-UHFFFAOYSA-N 401.428 1.996 30 10 HDEE C#CCCOc1ccc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)OCC)C2)cc1 1626314034 UCSVNRSMSLRIQD-GOSISDBHSA-N 400.475 1.962 30 10 HDEE C=CCONC(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 1627703733 OGKGDWMGIRNHOI-OAHLLOKOSA-N 402.476 1.956 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)C1CC(NC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1627818285 NXJPEEYHCNJXEX-UHFFFAOYSA-N 423.470 1.208 30 10 HDEE Cc1c(Br)c(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nn1C 1632532724 GPVLYCOUCWBEBB-QWRGUYRKSA-N 412.288 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3C(=O)CCC3=O)C2)C1 1632597872 NVAAQMYHBIXTDB-DBWCEAHUSA-N 418.494 1.429 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NC(C)(C)c1cccc(C#N)c1 1632736342 SBMCWUMCXRAHLO-CYBMUJFWSA-N 403.508 1.627 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CC(CNC(=O)C(F)(F)F)C1 1632898158 QFRLHYKPJVJWOG-LBPRGKRZSA-N 406.405 1.710 30 10 HDEE Cn1c(S)nnc1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633105061 URXPYVZCVUKOGP-FWHMADFJSA-N 420.539 1.549 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)Cc2nc(C3CCOCC3)n[nH]2)[C@H](C#N)C1 1633661915 ATOGPDNEUKMGOH-ZIAGYGMSSA-N 404.471 1.116 30 10 HDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1634011359 DVFOSHYJJGUCLZ-UHFFFAOYSA-N 419.425 1.031 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C#Cc2cccs2)CC12CN(C(=O)OC(C)(C)C)C2 1635918818 AIHKXJMSWLDXNB-OAHLLOKOSA-N 404.488 1.968 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)CC1 1636488153 OPVUMDKLOPRCEY-ZDUSSCGKSA-N 409.936 1.516 30 10 HDEE CC(C)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1637019052 MDXFPMWKQYNXOI-UHFFFAOYSA-N 405.296 1.836 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2ccc(C(=O)OC)cc21)c1cc[nH]n1 1637349362 INQBTUWSOSUVGT-UHFFFAOYSA-N 400.391 1.069 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC(=O)C1CCC(F)(F)CC1 1643284392 CWYZIRHDCAZKMV-GFCCVEGCSA-N 413.446 1.736 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)C2)C1 1643878233 QKGAPWDXESRIBP-XOBRGWDASA-N 400.410 1.444 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)n[nH]2)c1C 1644152230 PNWJYGHPDXKDAK-GJZGRUSLSA-N 403.508 1.583 30 10 HDEE NC(=O)CSCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937365 LVVFVUXPQBFXNN-PHDIDXHHSA-N 400.291 1.834 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC(C)(c3nnc(-c4cccnc4)o3)C2)CC1 1647821894 LDDOZHVBGOSFLD-GOSISDBHSA-N 423.521 1.397 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](O)CCC)nnc12 1649093188 TUYICADCSDRDKD-CQSZACIVSA-N 415.519 1.990 30 10 HDEE N#Cc1ccc(N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1Br 1651487926 XEYOPTOMPLWNKD-ULKWEWGCSA-N 412.309 1.944 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CCNS(=O)(=O)c3cccnc3)CCO2)cc1 1652919291 ILOAIGRTVAOIFA-GOSISDBHSA-N 400.460 1.222 30 10 HDEE CO[C@H]1CC[C@@H](C)N(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1654499164 RFHWMUZCPYZPIL-CVEARBPZSA-N 413.478 1.954 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@@H]1CCC[C@@H]1C#N 1655297445 XOVKSRPSASJOSI-RHSMWYFYSA-N 403.508 1.720 30 10 HDEE CCOC(=O)COc1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 1660598269 GVLCMYXWYVRSTH-UHFFFAOYSA-N 404.467 1.708 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1)C(=O)OC 1664368418 WTQGOFDJWGZUBD-HNNXBMFYSA-N 402.494 1.072 30 10 HDEE C#CCCCS(=O)(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1664894370 RUQWTTMCWAHDLM-UHFFFAOYSA-N 404.439 1.773 30 10 HDEE C=C(C)CS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1665133538 GKUYINKGDGWASX-ZNMIVQPWSA-N 415.512 1.407 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCOc3ccc(F)c(Cl)c3)C2)c(=O)nc1O 1682504395 CHFSMSICMSGITR-UHFFFAOYSA-N 407.789 1.258 30 10 HDEE C#CCN(C(=O)NCCN1CCN(S(C)(=O)=O)CC1)[C@H]1CCCc2ccccc21 1683664714 CCTAWITZAHQVAA-FQEVSTJZSA-N 418.563 1.286 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1689910331 CYUWABOCMQGNBZ-HXUWFJFHSA-N 402.499 1.641 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC[C@@H]1C 1689930036 JRTIQYWTOXVZFG-IKGGRYGDSA-N 409.556 1.649 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1690010068 VFQHOKYPCQKGDM-QFIPXVFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1690021509 YIGMJCJHHUFGIJ-IBGZPJMESA-N 423.492 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1Cc1nnc2n1CCC2 1690095238 KBHWNODACMWMCT-UHFFFAOYSA-N 407.478 1.626 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C(=O)NCC)cc2)CC1 1690120233 MPFIAHSEKIIXJC-UHFFFAOYSA-N 417.517 1.826 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)c(F)c2)CC1 1690122389 POAPAMRSVBUTQT-QGZVFWFLSA-N 400.433 1.311 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCC2(O)CCC2)CC1 1690153792 ARWCCCNYWMBXHJ-QGZVFWFLSA-N 401.511 1.401 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1 1690210973 OXRFJHWEIHKIMD-LJQANCHMSA-N 419.551 1.217 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(Cn2ccnn2)CC1 1690508491 JXLHXDYDCRRQNW-SFHVURJKSA-N 401.515 1.883 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)[C@H](C)C1 1690840071 DLJWDSQWMZNKLW-QRQCRPRQSA-N 421.505 1.352 30 10 HDEE Cc1cccc(-c2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)n1 1693182581 NXGNSMKBMGBNCD-UHFFFAOYSA-N 400.464 1.642 30 10 HDEE CON(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1698269377 YEEQTWGKPJCRAW-ZCXUNETKSA-N 400.414 1.532 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOCC2CC2)c1 1698486401 XOXVABMHLYXWDU-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2cnccn2)CC1 1705522852 GLSPUUPMZMPQMR-UHFFFAOYSA-N 410.526 1.727 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705659074 KPYQTOVRGUESIJ-ZKNHNOBHSA-N 419.551 1.368 30 10 HDEE C=CCCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705831158 IFNUZIYLJMAYRW-SFHVURJKSA-N 414.485 1.815 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2nccs2)nnc1[C@@]1(OCC)CCOC1 1705907898 BGDHDHGWIZYIAW-GOSISDBHSA-N 406.512 1.325 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1nccs1 1705931822 BMKMIPYFLFDEEY-UHFFFAOYSA-N 405.509 1.429 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC(C)(C)OC[C@@H]1C 1705932068 KCMOBNTZUBQEGQ-AWEZNQCLSA-N 408.528 1.283 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1706658450 NXGUFJCASZZXEX-QAPCUYQASA-N 410.544 1.587 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1709899849 DNMIVFUOHUTBNR-HXUWFJFHSA-N 416.457 1.883 30 10 HDEE CN(CC1CCC1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711139922 SMKJDSZZMCFLSF-UHHPSXQGSA-N 400.483 1.545 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1712594612 RKNAUTFHCZLDFH-GOSISDBHSA-N 408.466 1.350 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722294394 GYGFZMVVXZQLAB-GJZGRUSLSA-N 417.539 1.004 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1722343703 OLKHNOMURJDHLB-QGZVFWFLSA-N 407.316 1.182 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1c(C)nn(C)c1C 1722345879 LELUBOGSZJYUTE-UHFFFAOYSA-N 412.519 1.817 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1722364005 IZXUZXVKNIIQDY-IRXDYDNUSA-N 423.583 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1722382937 DRJSEVINKSFWQZ-QZTJIDSGSA-N 417.535 1.040 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCC(=O)NC(C)C)CC1 1722447037 HNWLYCLCSRXMKL-UHFFFAOYSA-N 402.543 1.357 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)[C@@H]1CC 1722506068 DKJSNEDZMRZPFB-OWSLCNJRSA-N 403.527 1.868 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccccc2)CC1 1722700694 QUEYCXRGBSEHPQ-UHFFFAOYSA-N 417.517 1.893 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1722712355 QPWPHRRYPHIRPB-IRXDYDNUSA-N 414.510 1.549 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1722723724 CYQTXZXSZCPVKA-WBVHZDCISA-N 411.572 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722727257 NCQPNPUPUPBMKP-KRWDZBQOSA-N 423.583 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722728290 OZYRWZGAEYRUDO-MRXNPFEDSA-N 424.489 1.971 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1726708617 HTGNNOXDRAXWNT-BUNKOAGESA-N 421.505 1.883 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ccnc(O)c1 1740395027 BNTGQNMXXRGXEH-DZVNLGKHSA-N 401.463 1.143 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(COc3ccccc3)o2)n1Cc1nnn(C)n1 1740605648 XGBANCFGNUYJGF-UHFFFAOYSA-N 404.434 1.758 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCNc2ccccn2)CC1 1740695298 MEINVSQOUCVBLX-UHFFFAOYSA-N 405.510 1.331 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCN(CCC)C2)CC1 1740696019 JYRZYTDOWLKPCP-WOJBJXKFSA-N 400.571 1.659 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1741016220 FWLDVNQGNPEQPP-KRWDZBQOSA-N 419.493 1.298 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1748319425 MJZXFOFUIROFMC-OKZBNKHCSA-N 411.462 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748671194 GWHFZGCWOHYQSF-FJIDUMEYSA-N 423.583 1.137 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC)c1 1748691420 DNPXJNNEHFEXRE-CQSZACIVSA-N 418.523 1.355 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)cn1 1748792666 GZDXKWVTTRJJIU-UHFFFAOYSA-N 424.486 1.503 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1748793899 MFJXFSIAKXFCDX-HNNXBMFYSA-N 402.405 1.205 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cscc2C)CC1 1748972985 UJKDMIUPBUFQSO-HNNXBMFYSA-N 422.580 1.062 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1749021904 CBPUADMATSCQGJ-OAHLLOKOSA-N 411.528 1.257 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)C 1749066678 MQCWBEPDJQDXHI-HNAYVOBHSA-N 407.540 1.087 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C 1749140053 LFASADUHNMFEDX-FUHWJXTLSA-N 405.543 1.852 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749198707 SFYVBSUQULRLSM-HNNXBMFYSA-N 410.569 1.728 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749450952 YNZPKHZGNILAAF-CVEARBPZSA-N 404.515 1.256 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1749464897 HNZFMTKEPYMFHM-AWEZNQCLSA-N 417.539 1.869 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749671114 ZFACIBHMQYQGDU-SJORKVTESA-N 419.526 1.249 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CCC(=O)NC)nnc1C1(c2ccccc2)CCC1 1749682622 WWKXLIZKLRKNOS-UHFFFAOYSA-N 410.522 1.623 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCOCC2(CC2)C1 1749732248 UHRZDPCKWDNATQ-MRXNPFEDSA-N 410.540 1.737 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1/N=CC=CC1=O 1750443629 GCTRPJZORHGSPJ-QPRSIOOTSA-N 400.483 1.470 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC2CC2)cc1 1751572518 FQSYAGFLIJKBTM-GOSISDBHSA-N 410.478 1.421 30 10 HDEE Cc1nc(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1751793627 WNIKUNFXCXKHEN-RBUKOAKNSA-N 418.477 1.430 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760152828 AERISEOALGKONG-GOSISDBHSA-N 422.489 1.311 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@](C)(CC)O1 1760251299 WDVXJPYCKJYCOH-UWJYYQICSA-N 403.527 1.834 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCSC2)CC1 1760256224 GJXBDJWTDKHYTR-YLJYHZDGSA-N 405.568 1.439 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C)n(C)c2=O)CC1 1760259809 QGOWTBWUNXUQMP-LJQANCHMSA-N 410.522 1.330 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(C)COCCO2)CC1 1760263035 LLBRLEBTMBOYEG-HSZRJFAPSA-N 409.534 1.624 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(COC)CCC1 1760464237 CLXKKZPUOYPPSY-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)C 1760485296 YDERPPQGMLYYFH-MRXNPFEDSA-N 400.458 1.649 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)CC1CC(F)C1 1760548422 GNWGLFSZDGTDMH-UHFFFAOYSA-N 401.508 1.201 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@]2(CCOC2)C1 1760557007 WVZSHTHGXACZTD-FQEVSTJZSA-N 417.535 1.482 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1761360185 HPKGETLPFPSSTK-CZUORRHYSA-N 405.466 1.801 30 10 HDEE Cc1occc1CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1761615647 HVIZBARMPPZJGH-LBPRGKRZSA-N 418.479 1.939 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1766244834 CWJIQPSLAVMGPN-CQSZACIVSA-N 418.523 1.212 30 10 HDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1769775217 IKATUXBXAWFGOE-XLIONFOSSA-N 412.538 1.992 30 10 HDEE COC[C@@H](Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)OC 1770780381 CNAOVACBESYCGX-LSDHHAIUSA-N 405.430 1.386 30 10 HDEE O=C(N=C(NS(=O)(=O)c1ccccc1)c1ccccc1)[C@H]1CCn2cnnc2C1 1850001433 PXMVAVQQOCLULI-INIZCTEOSA-N 409.471 1.792 30 10 HDEE CN(C)C=Nc1cc(Cl)ccc1C(=O)N1CCN(c2ncc(F)cn2)C(=O)C1 1851286403 ITRSYZRQPYQYEN-UHFFFAOYSA-N 404.833 1.980 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)[C@H]1C 1854751730 QIGNBTUGBICMPS-QZTJIDSGSA-N 419.547 1.723 30 10 HDEE CN(C)C(=O)C1CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1855313591 AEIXODKEUQEWRD-FQEVSTJZSA-N 410.518 1.809 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(c3ncc(F)cn3)C2)CCN1Cc1ccc(C#N)cc1 1855601006 XDZZFHYYFFKKBY-AWEZNQCLSA-N 408.437 1.183 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)CCN1CCCC#N 1857094255 KCZQDOBXSVCYIJ-OAHLLOKOSA-N 400.454 1.932 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)CCn3c(C)cc(C)nc3=O)C2)CC1 1857234432 BHHYUHGNZVVCBU-LJQANCHMSA-N 400.523 1.913 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC)cc2OC)C1)[C@@H]1CCN(C)C1=O 1857264912 QAZLVYCHPZTHBX-CRAIPNDOSA-N 415.490 1.411 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1857489870 JVQKARJRMZBGPX-PKOBYXMFSA-N 419.547 1.723 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2cccc(Cl)c2)c1=O 1861315233 BTZYQJRDNHIBFT-WMZOPIPTSA-N 415.877 1.428 30 10 HDEE C=CCNC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O 1861506406 STYKPTBPCMPGQK-OAHLLOKOSA-N 405.454 1.946 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)[C@@H]1CCCN1Cc1ccccc1F 1866913905 RBJIALOVLYZZBS-UXHICEINSA-N 410.449 1.778 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874338568 WZIXXZOAULLOKN-UMXKZIAQSA-N 402.480 1.545 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1889539020 UNBFMEDDMGLFFM-AWEZNQCLSA-N 401.444 1.659 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC(Cn2nc(-n3cccn3)ccc2=O)CC1 1890075389 ILXVIVRIGJGGCU-UHFFFAOYSA-N 424.486 1.402 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)c2nccc(N3CCOCC3)n2)c1 1890370867 PJOMLZYFJNSLGU-UHFFFAOYSA-N 423.517 1.972 30 10 HDEE COc1ccccc1OCC#CCNC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 1891588431 IVXSLOPLBVOBQN-INIZCTEOSA-N 422.437 1.975 30 10 HDEE Cc1nc2n(c(=O)c1C)[C@H](CC(=O)N1CCN(c3ncccc3C#N)CC1)CS2 1892025884 NHEPOGWVHUXISF-MRXNPFEDSA-N 410.503 1.513 30 10 HDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@H](NS(=O)(=O)c2ccc(C#N)s2)C1 1965827727 PSOJQPKDCHRLPS-HZRBXJLLSA-N 415.493 1.497 30 10 HDEE C[C@H](C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 1985105155 OXHINYCEAYTWNT-GFCCVEGCSA-N 406.292 1.970 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)COC1(C)C 2174789170 NDKURESGMUFDHO-AWEZNQCLSA-N 402.517 1.428 30 10 HDEE C#CCN(CC(F)(F)F)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2180103345 CEUWRFUFSOKMEP-GFCCVEGCSA-N 412.430 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2181217018 SVLAPOSCKZRCRC-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCc2nc(NS(=O)(=O)N3CC[C@@H](C#N)C3)sc2C1 2198509202 DDGGAEOOMWISNM-NSHDSACASA-N 413.525 1.938 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CC(C#N)C2)CCC(F)(F)CC1 2201550768 VDFWQZIVFDTCNB-UHFFFAOYSA-N 408.471 1.749 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(C#N)c(Br)c1 2247164110 IKUOROOPHQAKTE-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247817265 LKUHKQYUMISVDU-GXTWGEPZSA-N 420.319 1.362 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C1 2247910291 KKLPCRSJWLYEHT-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(Cc3ccccc3)CC2)n1 2247914701 PEOMKRZCWKRJIC-UHFFFAOYSA-N 410.327 1.677 30 10 HDEE CN(CCN(C)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2248054122 HDCCTHCTZFOCGS-UHFFFAOYSA-N 420.319 1.715 30 10 HDEE N#Cc1nc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cs1 2249814305 NWINXVTUTPJHLF-CYBMUJFWSA-N 409.445 1.309 30 10 HDEE Cn1cc(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)c(B2OC(C)(C)C(C)(C)O2)n1 2255625730 WJLSUTLUFXDMPM-GAJHUEQPSA-N 422.338 1.724 30 10 HDEE C#CC1(CNS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258165954 NSNKYFPFXBRYSN-MRXNPFEDSA-N 408.476 1.177 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NOCC(F)(F)C(F)F)[C@@H](O)C(F)(F)F 2265329836 HTNMJTUPXXWVBQ-NTSWFWBYSA-N 402.263 1.751 30 10 HDEE C#CCOCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353192 JTPJGYJYVQJOSY-UHFFFAOYSA-N 405.734 1.629 30 10 HDEE C[C@@H](N)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267465656 YFDKHRVRUWAOFY-SECBINFHSA-N 409.144 1.918 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270521949 LNSBLKVQMZYRNV-SFHVURJKSA-N 416.455 1.467 30 10 HDEE CC(C)(C)OC(=O)NCCOC1CCN(S(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2281546948 OKAHVFNMRSQCHF-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE Cc1sc(C(=O)NC[C@H](C)S(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1C 2281939355 DOGHDJXJYWBBMO-VIFPVBQESA-N 402.347 1.071 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCC[C@H]1CN 2282316792 IBNYKQHGJAEUMD-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC23COC(CF)(C2)C3)OC1(C)C 2282334303 ZPLZDYBPFWVBIO-UHFFFAOYSA-N 403.306 1.597 30 10 HDEE CN(C)C1CC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282338717 POEGNMAFYLQZRE-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CCC[C@]1(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340037 ANTYWKAIBOSLAK-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CCN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)CS(C)(=O)=O 2282519120 JBIDHPJINPDZFV-NSHDSACASA-N 402.347 1.338 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNC[C@@H](C)C1 2282832588 QCXZRDFRSYUCDS-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCN 2282882158 HRQDAVNGFDNWBD-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@H]2CCC(=O)O)OC1(C)C 2284396983 ZYQJAEZGTVHIMS-LLVKDONJSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@](C)(C(=O)O)C2)OC1(C)C 2284407610 NEMUSULXCCNZGI-MRXNPFEDSA-N 401.315 1.533 30 10 HDEE Cc1ccc(S(=O)(=O)NCCSCCO)c(B2OC(C)(C)C(C)(C)O2)c1 2360779136 HMJXIBCSDJBPOX-UHFFFAOYSA-N 401.359 1.298 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365200785 BMVHYUULEQNMBB-DEXNDLTESA-N 400.541 1.161 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](Cc1cncs1)NC(=O)OC(C)(C)C 2367804892 XJYZPSUSLZKGQI-GJZGRUSLSA-N 413.565 1.748 30 10 HDEE CCOC(=O)c1cc(C#N)c(C)nc1N1CCN(S(=O)(=O)c2ccccc2)CC1 19834460 LHFAVXPJNWELNS-UHFFFAOYSA-N 414.487 1.949 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1 27559250 GCCOGRVNBUPFGA-ZDUSSCGKSA-N 409.874 1.495 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)NCc2cc(OC)ccc2OC)c2ccccc21 33268757 HYVLDXNNIDAONA-UHFFFAOYSA-N 409.442 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 57194337 LSZJROGABJJMHB-UHFFFAOYSA-N 403.508 1.365 30 10 HDEE CCn1nc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)CC2)c1C 96323306 GSBZRFWYOXSWRN-UHFFFAOYSA-N 401.492 1.538 30 10 HDEE C[C@H](/C(N)=N/O)N1CCN(C(=O)c2cccc(I)c2)CC1 109460151 DNHJHJATZYGIEJ-SNVBAGLBSA-N 402.236 1.184 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1 410148771 SHKNWEORSDKNKE-JTQLQIEISA-N 413.301 1.660 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2ccc(C)c(C#N)n2)CC1 468707218 QYBRYCGUUZJWJQ-UHFFFAOYSA-N 418.475 1.769 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)cc1 484911519 OXIVZCFGKHNJCA-IBGZPJMESA-N 415.471 1.798 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(C(=O)N4CCCC4)CC3)C2=O)cc1 488270984 YZVZHERGUZSSAB-HXUWFJFHSA-N 423.517 1.703 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)C2=O)cc1 488273863 RFTCCEQHEPAGQV-UXHICEINSA-N 423.517 1.703 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 499442343 IPGHPSIFMSBCQG-AWEZNQCLSA-N 400.298 1.802 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 504192877 BHJKFQDJOWETAG-LJQANCHMSA-N 406.442 1.608 30 10 HDEE C=CCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C(F)(F)Oc1ccccc1 508998681 NVGUQQVWBLKQIY-INIZCTEOSA-N 407.421 1.934 30 10 HDEE C=CCOc1ccc(CN2CCN(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)CC2)cc1 509369532 DIGSAXJLXIXZRV-HDICACEKSA-N 409.552 1.723 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 511756561 UPVWORGRKGHCAD-OAHLLOKOSA-N 404.517 1.554 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COCc3ccccc3)CC2)cc1 512220316 VGMLFFKTXPKVJL-HXUWFJFHSA-N 415.515 1.442 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(Oc2ccc(C#N)cc2)c1 518388478 RTVUSFVYCWYWQJ-IBGZPJMESA-N 406.442 1.817 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1C 519488372 HNIAUYYTERXXIB-UHFFFAOYSA-N 413.503 1.197 30 10 HDEE Cc1nccc(N2CCN(S(=O)(=O)c3cc(Br)cc(C#N)c3)CC2)n1 546075470 CEVMOAKNVGVMOB-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 555256302 HWPAEDGMJRUHOO-LSDHHAIUSA-N 412.560 1.205 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=C)C)CC1 558997113 HCJQDLJVSBZCKZ-UHFFFAOYSA-N 405.506 1.817 30 10 HDEE C=CCN(CC=C)C(=S)NCCNC(=O)CCN1C(=O)c2ccccc2C1=O 586412831 LXVONLBZRGFGAS-UHFFFAOYSA-N 400.504 1.337 30 10 HDEE COc1cc(C(=O)NCC(=O)NCc2ccc(C#N)cc2F)cc(OC)c1OC 609241130 VBZRKTCXPJVTRV-UHFFFAOYSA-N 401.394 1.769 30 10 HDEE Cc1nc(=NC(=O)CSc2nnnn2CC(F)(F)F)n(-c2ccc(C#N)cc2)[nH]1 610233128 VFTMRGJVPQTDAP-UHFFFAOYSA-N 423.384 1.149 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)N1CCCCC1 679528088 VNTMHXPRTQXHLO-UHFFFAOYSA-N 419.478 1.587 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCCCN2CCOC2=O)cc1 728390583 KOIMTFQKMSDPOG-PGMHBOJBSA-N 423.495 1.463 30 10 HDEE C#CCN(CC(=O)Nc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 729266865 QJLCBLIBZBNFRH-GFCCVEGCSA-N 403.273 1.649 30 10 HDEE CN1CCN(C(=O)CC2CCN(Cc3nc4ccccc4c(=O)n3CC#N)CC2)CC1 731847267 WBMOYAIHYFNNEJ-UHFFFAOYSA-N 422.533 1.296 30 10 HDEE CN(C)S(=O)(=O)c1ccc2oc(=S)n(CN3CCN(C4CC4)[C@H](C#N)C3)c2c1 732672431 IXHOESYYAANMOM-CQSZACIVSA-N 421.548 1.844 30 10 HDEE Cc1c(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1N(C)C 755552499 NKGYCJYKRPLCNW-GDBMZVCRSA-N 415.494 1.875 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)c1 766625842 GBAVSBWQKSZNGF-KRWDZBQOSA-N 415.471 1.334 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1OCC[C@H]2O 768474606 WMYZSUHNTBEIJU-MRXNPFEDSA-N 415.471 1.960 30 10 HDEE CCn1nc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c2ccccc21 769884948 DZSYWHOVANZSAZ-OAHLLOKOSA-N 405.483 1.485 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCc3ccc(OC)c(C#N)c3)CC2)n1 770767182 CCBOQQLEPNYPGN-UHFFFAOYSA-N 412.450 1.951 30 10 HDEE C#CCN(C(=O)NC[C@H](C)Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774261905 DFVLLHCSVIQPHM-NVXWUHKLSA-N 408.520 1.714 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cc(F)c(Br)c(F)c2)CCN1C1CC1 775143309 CAEDWJHOCZSGSZ-NSHDSACASA-N 413.222 1.865 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CCN1CCO 778940402 DLBNUEMBTLHKGM-UWJYYQICSA-N 406.486 1.806 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC[C@H]1Cc2ccccc2O1 780175998 LOWKDAABUJBABF-VFNWGFHPSA-N 402.447 1.911 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)CC2 780208613 CWMBAUQVMUTTSO-OAQYLSRUSA-N 410.426 1.737 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(Cc4ccc(OCC#N)cc4)CC3)C2=O)n(C)n1 780564869 FRKIPFSISLBBHS-NRFANRHFSA-N 422.533 1.944 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)OC)C[C@@H](OCC)C2(C)C)c1 781846486 VOOLDQZQFLCCFX-UZLBHIALSA-N 422.503 1.075 30 10 HDEE C#Cc1cccc(NC(=O)C(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)c1 784789288 ASZMOHXESLRWCE-LJQANCHMSA-N 401.426 1.262 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(-c2ccsc2)nn1C)c1cc[nH]n1 787663544 WHQUPRDTRMLNSY-UHFFFAOYSA-N 402.436 1.794 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc2c1OCC[C@H]2N(C)C)c1cc[nH]n1 790233008 AFLQKLXLGDYJKZ-MRXNPFEDSA-N 415.450 1.717 30 10 HDEE CC(C)CN(C(=O)COC(=O)CCc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 792749669 SELICVLDTWXWFT-GOSISDBHSA-N 406.504 1.706 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/Cc2ccc(S(N)(=O)=O)cc2)N([C@@H]2CC[C@@H]2C)C1=O 795181760 CGDDCROAJVEKLE-VEIWDNMCSA-N 424.548 1.069 30 10 HDEE COC(=O)[C@H](OC(=O)c1cnn2c1C[C@H](CNC(C)=O)CC2)c1ccc(C#N)cc1 797249123 HBZDKSHHSTZTJV-DNVCBOLYSA-N 410.430 1.524 30 10 HDEE Cc1nn(CCOC(=O)[C@H](C)n2cnc(C#N)n2)c2ncc(Br)cc12 798839711 DYGQYPDDXILVNE-JTQLQIEISA-N 404.228 1.770 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 805824431 QWSISHJSWFYEAG-LJQANCHMSA-N 403.487 1.582 30 10 HDEE C[C@H](OCC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)c1nccn1C 808274582 VPLGTKSHWHVZBH-AEWZPABSSA-N 419.507 1.949 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 810069843 JJYPFRKJPVPIKZ-CQSZACIVSA-N 403.426 1.722 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(-n3cncn3)cc2)cc1OC 916922721 DVLRGYMGOHXENI-GOSISDBHSA-N 419.441 1.966 30 10 HDEE Cn1c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnc1C1CCC1 1116623541 LNTGDMQBCJETHK-INIZCTEOSA-N 421.461 1.476 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)COc1cccc(Br)c1C#N 1128109573 NHXFZMQUCKVZIC-GOEBONIOSA-N 413.268 1.636 30 10 HDEE N#Cc1cc(F)c(OC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)c(Br)c1 1131399801 YGRRTIOAIQDQIY-MRVPVSSYSA-N 410.159 1.379 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cnn(C)c1I)C(=O)OCC 1132417796 FMUGUPSAPCOBET-SECBINFHSA-N 411.627 1.829 30 10 HDEE COc1ncc(NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1C#N 1134074044 CGDQGNUTUNBICD-OTIVFRFGSA-N 419.441 1.704 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)n[nH]2)c1C 1136382100 XFHSWNMLDXIXPB-AWEZNQCLSA-N 406.512 1.230 30 10 HDEE C=CCOC[C@@H](NC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1155778780 ABMBNGWROBTZRI-DZGCQCFKSA-N 422.482 1.608 30 10 HDEE N#Cc1cn(CCC(=O)N(CCc2ccccn2)Cc2ccncc2)c(=O)nc1O 1155997524 FEEHVAQSQSDCKD-UHFFFAOYSA-N 404.430 1.272 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCc2c(sc(N)c2C#N)C1 1158225648 YYONTORIVLMSPL-OAHLLOKOSA-N 400.508 1.583 30 10 HDEE O=C([C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N(O)Cc1cc(Cl)cc(Cl)c1 1161785262 SOPVFQDWOPKGJV-BXUZGUMPSA-N 421.302 1.747 30 10 HDEE COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc2c(c(C#N)c1=O)CCCC2 1166246118 AEPYKXCGYGEMBQ-HXUWFJFHSA-N 405.454 1.725 30 10 HDEE CN(CCOCCNC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1167269006 JRSIRERLWGFLME-UHFFFAOYSA-N 404.467 1.288 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C[C@H](O)CC#N)CC[C@@H]32)CC1 1171142621 GXTNOWFJQUJSAO-ZACQAIPSSA-N 407.515 1.129 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1ccc(S(N)(=O)=O)cc1 1179462081 XJJGIIZMVJFOBA-BBRMVZONSA-N 412.471 1.436 30 10 HDEE C#CC1(O)CN(C(=O)[C@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)C1 1179982420 LAJRSEYDEBDTQN-OAHLLOKOSA-N 402.447 1.577 30 10 HDEE C#CCN(CC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)[C@@H]1CCCc2ccccc21 1198105814 ZJPQUOKHSOPYCN-LJQANCHMSA-N 422.529 1.981 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1)C(=O)OC 1212123618 RQSHADSFSOFUGX-OAHLLOKOSA-N 417.443 1.186 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCOC[C@@H]3C[C@@H]3CCOC3)C2=O)cc1 1234023148 FGJKDDFLBINUNP-IHPCNDPISA-N 412.490 1.891 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCOCC1 1235547897 VGXBHEXOGGNRCQ-UHFFFAOYSA-N 417.890 1.629 30 10 HDEE N#C[C@]1(C(=O)NCC(=O)Nc2ccc(I)cc2)CCCOC1 1272367587 JZJZYSVFXXPYAE-OAHLLOKOSA-N 413.215 1.666 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1286364577 FFROMGBZXBSNAX-UHFFFAOYSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1286391769 GEPSKCRVJXBZEO-JKSUJKDBSA-N 404.492 1.440 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1286399429 GVQVGJUFFUGGPJ-QGZVFWFLSA-N 414.535 1.297 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(=O)(=O)CC 1286440308 UEZVWWKGATXKQE-UHFFFAOYSA-N 419.507 1.115 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1286451680 NBOWSNGCQHXNRQ-FGTMMUONSA-N 424.615 1.716 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCNC(=O)C(C)(C)C)CC1 1286473698 REIBQGJMACDWBU-UHFFFAOYSA-N 424.549 1.871 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(n2cc(Cl)cn2)CC1 1286788196 RVRJVWZKRXNXJX-AWEZNQCLSA-N 419.917 1.776 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1288234424 XHHPMGNCHQTFGD-IRXDYDNUSA-N 407.478 1.056 30 10 HDEE N#C[C@]12CN(C(=O)Cc3csc(Cc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1289436225 GBKAIYLKRPGHDV-HNAYVOBHSA-N 401.513 1.673 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CCOC(=O)N2)CC1 1293136118 CPTDGOUJJBKREL-GJZGRUSLSA-N 407.268 1.656 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C[C@@H]1C 1295982324 DMRQKFWBWIFZIV-HOTGVXAUSA-N 405.510 1.912 30 10 HDEE CCN1CC[C@H](Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1 1296035726 DRCOYHVMANIUOI-MAUKXSAKSA-N 411.466 1.924 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc(O)c2ncccc12 1297871600 CMLLCAMBSKCAPI-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1 1298075651 LAODXUPODVVEJE-OXQOHEQNSA-N 416.499 1.351 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1 1298756919 USGRLYILPJMXDM-UHFFFAOYSA-N 411.483 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1300311620 UPKUAYJUSAHIBT-WBVHZDCISA-N 407.540 1.569 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1300357071 INKSDCXPMFHVMU-UHFFFAOYSA-N 412.494 1.772 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCOC[C@@H]1C 1300440412 WWBRJLNWONRDJT-ZDUSSCGKSA-N 407.316 1.826 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1300457984 CRGYSCXZEGVUJO-HOTGVXAUSA-N 402.524 1.332 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1300805917 LFLZKRIKRXWVGW-KBXCAEBGSA-N 405.549 1.872 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1300994194 OKFFLPICPLUPPY-UHFFFAOYSA-N 419.551 1.870 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1301016868 CIARCZXQOZNJME-MCIONIFRSA-N 403.936 1.646 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)NCCc2ccccc2)CC1 1301059153 PWKQXNSWOCBCLG-UHFFFAOYSA-N 410.522 1.932 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CCN1CCCS1(=O)=O 1301309324 QGDFECNNVHEZGE-UHFFFAOYSA-N 421.523 1.523 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301588557 HGLMQOZRQAZHTD-SQNIBIBYSA-N 423.583 1.793 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)COCCO1 1301810251 YAITXPBVLMCNAO-IBGZPJMESA-N 420.539 1.806 30 10 HDEE C[C@@H](CC(=O)N1CCCCCCNC(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1302255026 DYPJXXPBCZNHJJ-HNNXBMFYSA-N 420.535 1.413 30 10 HDEE CC(C)CSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303251079 JGEIYIMYPSLNFJ-SJORKVTESA-N 417.583 1.795 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)NCCn2ccc(O)nc2=O)s1 1303574608 NSXBSUQGQXPNFR-UHFFFAOYSA-N 400.913 1.917 30 10 HDEE Cc1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)N(C)C)c2ccccc2n1 1304195779 GTBSHIBSOHPFTG-HNNXBMFYSA-N 405.462 1.619 30 10 HDEE COC(=O)C1=CC[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1313013454 TXZFMMWKTJPJEW-CQSZACIVSA-N 411.418 1.900 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CCO1 1316539602 DYSODTYOCXJJJA-QZTJIDSGSA-N 417.441 1.530 30 10 HDEE CC(=O)Nc1cncc(-c2nnc(CC/N=C3/NS(=O)(=O)c4ccccc43)o2)c1 1322699687 FZZUHDKJTPJQTA-UHFFFAOYSA-N 412.431 1.371 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)nn1 1354819298 WITKUAUTGSEFMP-HEHNFIMWSA-N 402.480 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](C)CN1CCN(CC)CC1 1358888047 GUCOJYYNJQIRPR-UFYCRDLUSA-N 402.587 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N(C)CC 1358997794 FOHKICVPRWVKNT-UHFFFAOYSA-N 404.474 1.670 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C 1359091347 MKORYEWWBMLVPM-JONQDZQNSA-N 413.544 1.095 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1359213048 HSANVSCANXFPSW-UHFFFAOYSA-N 411.554 1.994 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1359277485 NMKIMPKGROLQAE-JXFKEZNVSA-N 401.467 1.209 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(C(=O)NC)CC1 1359297310 MJDLIJWLPJVXJQ-UHFFFAOYSA-N 416.913 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1359297583 VHRXHYRVCBELAE-YCRPNKLZSA-N 415.469 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](COC)C1 1359331310 VHIMDFGQUXNFAO-INIZCTEOSA-N 421.523 1.101 30 10 HDEE CN1CCN(CCCCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1441170218 JCVWGAKMMAJHBL-UHFFFAOYSA-N 409.328 1.843 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1452856748 GNOBUDLPLJYVJU-CRAIPNDOSA-N 420.307 1.868 30 10 HDEE CCOC(=O)CON=C(C(=O)N(OC)[C@@H](C)c1ccccc1OC)c1cc[nH]n1 1453050430 LKAYCPORKVZFKM-ZDUSSCGKSA-N 404.423 1.853 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)n3ccccc3n2)cc1 1461278905 VCBUFASSCMLAOG-UHFFFAOYSA-N 410.455 1.702 30 10 HDEE Cn1cc(C[C@H]2CCC[C@H]2NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cn1 1461662010 NAJOALWTUVLJGL-IEBWSBKVSA-N 415.519 1.753 30 10 HDEE N#Cc1cccc(OCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)c1 1463448026 NTIJZMRWZPPRNN-XJKSGUPXSA-N 402.394 1.905 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)c1 1464314748 ZTOIPLMVAJBLCQ-UHFFFAOYSA-N 421.453 1.448 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1 1464586677 DZQBIUZXAWNBFO-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3ccc(C(N)=O)o3)C2)C1 1465636693 LMAOLHGNTUMSFV-DAIAYTDJSA-N 402.451 1.782 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)n1 1467714877 CQVYCWQCBVCZJU-MSOLQXFVSA-N 420.510 1.421 30 10 HDEE C#CCn1cc(CNC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1 1467724476 DKTCCRLYYAHLHA-CMDGGOBGSA-N 407.474 1.046 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCC(=O)N(C)Cc1ccccc1Br 1468764357 XZUUVOUPXZSQMI-HNNXBMFYSA-N 410.312 1.871 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1)C(=O)OCC 1471118399 NPQRICYGMPPJNQ-DGCLKSJQSA-N 403.863 1.847 30 10 HDEE C=CC[C@]1(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1471391009 WUXYZSIXMNPTBH-OPAMFIHVSA-N 421.538 1.822 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)C1 1471834484 IDTABUGIBRIDMO-AWEZNQCLSA-N 404.517 1.126 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)C1 1472246447 DCMZMENWFSABRC-UHFFFAOYSA-N 416.411 1.491 30 10 HDEE O=C(c1ncc(Br)cn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618889 NDGUVFNNPJHBOY-UHFFFAOYSA-N 405.208 1.757 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1478403926 OEZSCPBKVKPGFY-GVDBMIGSSA-N 410.563 1.317 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCn2ncc(I)c2C1 1478552198 AWHQYODNPQHMRD-RISCZKNCSA-N 416.263 1.994 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCOC1 1495773146 GZBBNSOALXRVKR-KKSFZXQISA-N 411.510 1.536 30 10 HDEE CN1C[C@](C)(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1503674943 NJBKLZLAKMUYSE-XMSQKQJNSA-N 408.506 1.660 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1COCCO1 1507713663 SDGQSXGSTQLYGT-IBGZPJMESA-N 409.490 1.783 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCCC1 1507765989 WXYAWRYDFGNNAO-SQGPQFPESA-N 422.599 1.755 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1507828838 MREIIMYTYBZUCT-UHFFFAOYSA-N 409.512 1.524 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1507965947 SKSWBBZYLXWTQI-ZWKOTPCHSA-N 404.559 1.912 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507967346 JNGAMUGYHRHKIH-ZWKOTPCHSA-N 402.499 1.477 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1NC(=O)CC1(C)C 1507973768 NDNHMRHGFZWXRF-MRXNPFEDSA-N 407.482 1.458 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1507986780 VLTLPZSTJRHSLV-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1508089572 YLFAVPQQVPOFQI-HXUWFJFHSA-N 411.466 1.438 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCSC1 1508139541 CMKWMVKKMKAKCS-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1508168869 UZFYPATTYLUEJX-INIZCTEOSA-N 409.556 1.561 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)C 1519446896 HWXDXMKTGHLCEY-UHOSZYNNSA-N 418.542 1.604 30 10 HDEE CS(=O)(=O)CCn1cccc(NC(=O)c2cccc(C#N)c2Br)c1=O 1521162569 PFGBVTGYPGBGED-UHFFFAOYSA-N 424.276 1.779 30 10 HDEE N#Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1Br 1525920668 JBOKRSTZYVTSHT-UXOAXIEHSA-N 418.247 1.812 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1cccc(Br)c1 1527510589 OBEMEWSOXQBJIR-NEPJUHHUSA-N 405.212 1.144 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1530618251 AFBZBYMGDUURGC-UHFFFAOYSA-N 410.517 1.063 30 10 HDEE C=CCn1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCN(CC)CC3)c2)nn1 1531103572 IZIHOWWJHXNOII-UHFFFAOYSA-N 404.496 1.043 30 10 HDEE Cc1cc(C(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)ncc1C#N 1534587258 FPGWRVXONMGWEW-HNNXBMFYSA-N 422.507 1.416 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cc1 1536633616 DWIMXEWNEBBRNI-UHFFFAOYSA-N 419.894 1.477 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C1CC1)N(C)C 1539002226 BFDDRGQBQFKFOD-KXBFYZLASA-N 419.533 1.990 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539087714 YFXKVVJRYLCRRY-YLJYHZDGSA-N 424.567 1.747 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(=O)OC)CC1 1539273088 JVSGJZGOXCLCBT-UHFFFAOYSA-N 423.521 1.691 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)C(=O)NCC 1539289492 NIEOVJMWXRXOLQ-UHFFFAOYSA-N 418.501 1.964 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@@H]2CCOC2)CC1 1539446498 DQNYOQZCLRUKBH-PMACEKPBSA-N 417.554 1.371 30 10 HDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C)C(=O)C1 1539524539 HSMLOWLTDGFMAE-UHFFFAOYSA-N 413.547 1.717 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1539629514 AFWJYKVFHCCQMO-PZTGFMGMSA-N 403.527 1.726 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H](OC)CN2C(=O)OC(C)(C)C)CC1 1539702373 CPXAOYZKQKEHJU-HRAATJIYSA-N 407.511 1.389 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC2(CC1)COC(=O)N2 1539743544 KDPZDELJMLKRGV-UHFFFAOYSA-N 400.483 1.955 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1540036845 VNBALNGOZXWKFZ-IAGOWNOFSA-N 404.515 1.668 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCS(C)(=O)=O 1540182153 KJBOZAOCRJYTHH-UHFFFAOYSA-N 421.523 1.387 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1cn(C2COC2)nn1 1540198909 SWTHWYMFKICAEY-OAHLLOKOSA-N 403.487 1.022 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)C1 1540891051 OFHNGEJVSPBTDY-QGZVFWFLSA-N 409.556 1.753 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H](C)N2CCOCC2)C1 1540893309 AAAWQNURVDTOSZ-ICSRJNTNSA-N 412.538 1.766 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1541106107 RARCLAOZFJILEY-INIZCTEOSA-N 416.551 1.893 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1 1545797618 SINCDHPKQGTTFI-HUUCEWRRSA-N 403.545 1.634 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)c1ccc(F)cc1 1557025767 WLCPNAOFCUIUDA-OAHLLOKOSA-N 419.478 1.537 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@H](O)c2cccc(C#N)c2)C1 1559509244 XZJJHHWHDNTTHQ-MOPGFXCFSA-N 416.522 1.945 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1567043803 IIVIEACXPAMNIJ-QGZVFWFLSA-N 405.520 1.715 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1snc(C)c1C#N 1585892747 QKCODPULZLHFLG-UHFFFAOYSA-N 406.489 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCC2CCN(CC#N)CC2)C1 1586040513 PBGVQWVXSPDVDB-UHFFFAOYSA-N 403.487 1.035 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1587620496 GHKCVFAPNVSDOW-HUUCEWRRSA-N 401.467 1.659 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1587915577 ODTRQECHJALMFZ-LIRRHRJNSA-N 422.482 1.176 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1588385494 IDGAHLZBARCRLI-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCN(CC)CC1 1588697122 PYPRGBOSJWARRZ-RTBURBONSA-N 404.559 1.242 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2(OC)CCC2)CC1 1588733109 NOYBDTRVDIEQGD-UHFFFAOYSA-N 423.521 1.640 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CCOC[C@H]2C)CC1 1588763104 RKTIEUVDZASVJZ-LJQANCHMSA-N 424.549 1.430 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCCC)CC1 1588806462 RKVAEXCHZKTFAK-SFHVURJKSA-N 423.521 1.217 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2Cc2ccn(C)n2)CC1 1588954129 ARTYLSPCKLSQTI-UHFFFAOYSA-N 418.505 1.012 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(=O)(=O)CC=C 1594949350 XYKJBLAQMZKDNV-UHFFFAOYSA-N 414.491 1.817 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1595789035 MSSUDTPXXHJYQY-OAHLLOKOSA-N 411.528 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(N)=O)C1 1595812720 ZVNBGLYUCWQDBO-OAHLLOKOSA-N 423.564 1.233 30 10 HDEE C=CC1(CC(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1596672399 BOYDGYOOXDRYRI-GOSISDBHSA-N 402.513 1.120 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C2)c(=O)nc1O 1607488418 HUKZNFLBYFJPSU-UHFFFAOYSA-N 422.445 1.148 30 10 HDEE COc1cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2cc1OC 1616337103 VVBYSMLTMAZVKJ-OXJNMPFZSA-N 400.456 1.867 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)[C@H]1C 1616747244 DTPGMCXVKRWDRG-MZRZTIOWSA-N 421.519 1.581 30 10 HDEE C=CCC1(O)CCN([C@H](C)C(=O)NCc2ccc(CN3CCOCC3)cc2)CC1 1620594246 LCQQGEZULCSBGP-LJQANCHMSA-N 401.551 1.927 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1622318533 VWOOBPOQIBGIBK-SECBINFHSA-N 408.245 1.427 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCN2CCN(c3cccc(Cl)c3)CC2)CC1 1622396163 UOTYHAICTWWEQQ-UHFFFAOYSA-N 403.914 1.437 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)OC(C)(C)C 1623724111 GEYSABPPSZOAPK-GJZGRUSLSA-N 401.529 1.081 30 10 HDEE CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1627734942 JYAJXDYTHRUUPY-KDOFPFPSSA-N 401.442 1.900 30 10 HDEE C#CCN1CCCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1628354908 QWGYWABMTWGMEQ-UHFFFAOYSA-N 416.526 1.631 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1630030324 CFAMFHDVFSRZAE-CQSZACIVSA-N 417.466 1.116 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1630401683 LDASTWTXYIYNPU-WMLDXEAASA-N 410.923 1.745 30 10 HDEE C[C@@H](Sc1nc(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)cs1)C(N)=O 1630766532 RIVBYCWTIMIPCC-LLVKDONJSA-N 401.517 1.846 30 10 HDEE O=C(Cn1cnc(NC(=O)C(=O)/C=C\c2ccc(F)cc2)n1)NCc1ccccc1 1631856380 LOKUAMLDKXDUJL-FLIBITNWSA-N 407.405 1.955 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](Cc1ccncc1)C(=O)OC 1632903872 MMFJIFFTAVTTBC-SJORKVTESA-N 403.479 1.836 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1)C(=O)OC 1634058472 DZALKIWWCFDOOQ-AWEZNQCLSA-N 407.448 1.700 30 10 HDEE CSc1nc(O)c(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1C#N 1634511512 XBIYJSRSRRHQRU-CQSZACIVSA-N 421.504 1.116 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)C1 1635063603 YYPIKXVIBTXCEO-MRXNPFEDSA-N 412.943 1.324 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3cc(F)ncn3)CC2)ccc1F 1636070345 VTURRPGVMKWRTC-UHFFFAOYSA-N 423.445 1.182 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCCC1 1636512641 NVEFGCHVNJAYLD-KBXCAEBGSA-N 411.524 1.611 30 10 HDEE COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CO 1636609201 IZJHZEMWAPIJBK-BTYIYWSLSA-N 423.469 1.931 30 10 HDEE COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C#N)CO 1636609204 IZJHZEMWAPIJBK-YCRPNKLZSA-N 423.469 1.931 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1636891676 JUEKTUYYLMGCLF-HUUCEWRRSA-N 417.514 1.597 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCOC[C@H]1Nc1ccnc(C)n1)C(=O)OC(C)(C)C 1637296768 QZZFTHSCFVMJIE-JKSUJKDBSA-N 403.483 1.341 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 1638357328 FPPHVSVORNQPLX-UHFFFAOYSA-N 401.398 1.803 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](Nc3ncccn3)C2)ccc1F 1638962304 SZKZNXJZGPFTBD-AWEZNQCLSA-N 405.455 1.407 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1641300676 OZEBZBGXYHNQIA-CQSZACIVSA-N 406.368 1.609 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)Cc1ccccc1CC#N 1641580594 ZADJNLDRRXNTSF-OAQYLSRUSA-N 403.479 1.410 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1641682571 MESURKSKGWZZDI-CYBMUJFWSA-N 402.480 1.116 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OCC 1644563765 QMJIODIKHUGQMZ-CYBMUJFWSA-N 402.444 1.038 30 10 HDEE C[C@@H](C(=O)NC1(C#N)CCC1)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1645634924 FQTBUQQWZDXBAZ-CFVMTHIKSA-N 416.444 1.485 30 10 HDEE CC(C)(C)OC(=O)NCc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1645997566 FAIIOZVCYRZXOF-MGPUTAFESA-N 419.503 1.722 30 10 HDEE Cc1ccc(C(=O)NCc2cnn(CC3CCC3)c2)cc1S(=O)(=O)NCC#N 1647975581 FDDZGLVGBRSXQA-UHFFFAOYSA-N 401.492 1.724 30 10 HDEE C#CC[C@@H](COC)NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1651176624 BTJTYFCTEAIWLO-AWEZNQCLSA-N 411.487 1.477 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](CN2CCOCC2)c2ccccc2)c1 1653986839 ITSIMPHLIWOWJF-OAQYLSRUSA-N 406.486 1.979 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)C1 1654412459 RDFSRZGPRRSLOW-ZBFHGGJFSA-N 413.503 1.485 30 10 HDEE N#CC1(C[C@@H](O)CN2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)CCOCC1 1655830540 YPICOPVGZPEOJO-IIAWOOMASA-N 410.458 1.499 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)nn1 1656352942 MXDQCATVHLCUKI-UHFFFAOYSA-N 424.426 1.626 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)ccc1Br 1663257594 HNEFJQYMRREJFC-CQSZACIVSA-N 412.240 1.965 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CC(=O)c3ccccc3O2)c1 1665554750 WDPAYPLGSPGOEX-OAHLLOKOSA-N 400.456 1.915 30 10 HDEE C#CCN(C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1666111582 YGLXFQVNYUHQFJ-MRXNPFEDSA-N 413.540 1.560 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(Br)c(C#N)cc1F)CN1CCOCC1 1667526192 CUKJGPLVSFRLSP-NSHDSACASA-N 420.304 1.706 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)C)c2ccccc2C)CC1 1668906770 XPVZGHUUQHOSCL-LJQANCHMSA-N 406.552 1.877 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1677278499 MXWTYOFZMZQJGU-LJQANCHMSA-N 424.501 1.985 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1678910434 UTNZQMQWRJMGDF-GOSISDBHSA-N 415.490 1.412 30 10 HDEE C=C[C@H](CO)NC(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1681794536 SZWXHMRTNPCHMJ-OLZOCXBDSA-N 410.437 1.316 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1681803987 DJLXHDFAQBLXMO-RDHHWEPZSA-N 402.451 1.521 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684077040 PZIXGEVAMBNXCJ-FUHWJXTLSA-N 412.471 1.786 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC3(CC(N)=O)CCCCC3)CC2)c1C#N 1684172531 SJABUEKLEKERNB-UHFFFAOYSA-N 401.515 1.258 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)n1 1687788625 JMXGKBQIPQTVBL-HXUWFJFHSA-N 400.483 1.114 30 10 HDEE N#CC1(CNC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CCOCC1 1687830444 ZJYXUVYUWUZTQO-JOCHJYFZSA-N 412.490 1.520 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1689851476 RHVACPQDQMRUAA-RTBURBONSA-N 422.533 1.589 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1snnc1C 1690094115 SNWWXPPNWJDPDO-LJQANCHMSA-N 420.539 1.613 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1csc([C@@H](C)OC)n1 1690102447 LDXJVZIENWGOFB-UKRRQHHQSA-N 418.523 1.527 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1c1cnn(C)c1 1690107740 ADLQJTSTYKUPLE-IEBWSBKVSA-N 413.526 1.618 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCCCC2)CC1 1690128569 GSAGFPCFVDSFII-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCOC[C@H]2C)CC1 1690146822 XYOCHRNHJDCNDI-BHIYHBOVSA-N 415.538 1.420 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccn(C)n2)C1 1690684865 QBAKLDQSKLRQEZ-INIZCTEOSA-N 408.466 1.489 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCC(C)CC2)C1 1690711766 HYNBHRLVIRAZTL-IBGZPJMESA-N 416.570 1.914 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1695867618 FUUOTUHTPGTTCN-QZTJIDSGSA-N 410.526 1.095 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)c1 1697498111 ABWZLAFOZRFFKQ-WBVHZDCISA-N 412.494 1.959 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705551632 PRSKZZSHDKZMRE-FGTMMUONSA-N 407.584 1.618 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(N2CCOCC2)n1 1705554362 VBRMRPMZPRQCIP-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1705567253 VCXLIYSFNVDEPI-DLBZAZTESA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1705586697 SMOSKIBYIWAZDJ-UHFFFAOYSA-N 411.550 1.573 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn[nH]c1 1705591400 PCZKCCPGNBBDBY-UHFFFAOYSA-N 422.514 1.777 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CC(=O)N(C)C)CC1 1705632718 AALJVIXRNGXTFN-IBGZPJMESA-N 424.549 1.878 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](OC)C(C)C)CC1 1705650629 WCMXATQQYHMLQY-HXUWFJFHSA-N 424.549 1.901 30 10 HDEE C=C(C)Cn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705728394 JCDQITZZOOIDCN-NRFANRHFSA-N 415.542 1.955 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705744540 GYLDRBXOGAJXIP-ZDUSSCGKSA-N 424.914 1.691 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1C(C)(C)C 1705907968 DFAPCRJWYDXODT-LBPRGKRZSA-N 416.448 1.383 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccccc2F)CC1 1705908957 YHDPBMUMRAKJAK-UHFFFAOYSA-N 402.474 1.583 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC=CCC2)C1 1705914296 KVRAQDKNVQCMOG-GOSISDBHSA-N 400.527 1.557 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(C)CN(C)C2=O)C1 1705927473 ZDLGQXBBBXKRQR-OXQOHEQNSA-N 416.551 1.893 30 10 HDEE C[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1706792085 GCPSTZICNSTZCZ-RBZFPXEDSA-N 410.457 1.986 30 10 HDEE CCOc1ncccc1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1710572939 NKTNTBCKRJLBSK-NVXWUHKLSA-N 416.482 1.573 30 10 HDEE COC(=O)N1CCC(Cn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)CC1 1711463978 DGUBATOARSXFHR-CQSZACIVSA-N 405.503 1.633 30 10 HDEE COc1ccncc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1712028385 YVBLCTHSKJYZLN-INIZCTEOSA-N 411.491 1.815 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CCO1 1712287138 CPHSBUYCRIZNGV-IBGZPJMESA-N 422.493 1.430 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@](C)(O)c1ccco1 1712529818 CUVHBZMRNVYAJL-ZMYBRWDISA-N 407.446 1.945 30 10 HDEE C=C[C@H](CC)CC(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1719523039 CYFBKGBEZZPIKL-WYCFBCSISA-N 400.479 1.440 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722332883 FDBIONPGQWOLQE-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1722369295 XFCRJFLYHRYAHR-IAGOWNOFSA-N 424.567 1.962 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722372425 WJDZZGCYMPGZMS-OAHLLOKOSA-N 420.564 1.260 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C1CC1)N(C)C 1722407423 LAOJTOGTXVPCNM-LJQANCHMSA-N 405.510 1.721 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1722437354 RTTXGBCDLYYYEH-MSOLQXFVSA-N 421.567 1.100 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCC2(O)CCC2)CC1 1722445066 KWDXTLNMKHENQV-UHFFFAOYSA-N 408.506 1.611 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC)C1 1722504593 GXPDBQLBQHLHGC-BQFCYCMXSA-N 411.510 1.679 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1722532101 BSXOVUSKFOSIGL-IRXDYDNUSA-N 418.542 1.563 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)C1 1722820155 PSJXSLBADBLPNR-QGZVFWFLSA-N 405.462 1.882 30 10 HDEE CCc1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727547809 VXSJORRDSUYUEO-JGWKNBOWSA-N 410.482 1.094 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@H](C)N(C)C 1740538284 LKWBKFFRCUUNQV-GJZGRUSLSA-N 417.583 1.955 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1740671532 JLIKXYGPZSCOFU-CLWJZODNSA-N 406.552 1.581 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740672365 DOXIRGCXUMOHBF-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1740722418 IQYYFJMREAIEDT-UHFFFAOYSA-N 424.523 1.597 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cccn2)CC1 1740793814 YDFYBDGKCDXBQM-SFHVURJKSA-N 413.526 1.935 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1740956093 LHRUGFUEJPLQKZ-AWEZNQCLSA-N 423.443 1.715 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1740957897 CYLNSRWLTYVFLU-QGZVFWFLSA-N 415.542 1.430 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1740964156 JKKHYKQXZUYRJZ-SFHVURJKSA-N 412.538 1.828 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1748710539 SQAIXFKTPALDPU-MSOLQXFVSA-N 411.510 1.443 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1748759847 QLOYWOIYZLYYOS-FQEVSTJZSA-N 422.537 1.963 30 10 HDEE C#CCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764381 MOJIYVNWDGXQMK-LEWJYISDSA-N 401.511 1.449 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748785282 QEEBBBKOYRFQJI-VQTJNVASSA-N 422.533 1.590 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H]1c1nncn1C 1750030430 LXENLFJALORIES-SFHVURJKSA-N 419.493 1.813 30 10 HDEE COCCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750033667 KUSNHBMIASQWKK-MJGOQNOKSA-N 413.478 1.584 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752160746 DRVIAQBOVUHGJD-YUMLTWSLSA-N 414.510 1.935 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1760130835 MVOYATSJGIFUJY-DLBZAZTESA-N 404.515 1.362 30 10 HDEE C#CCCCn1c(N2CCC(CC(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159997 VQMXTPSGQHBJDP-OAQYLSRUSA-N 403.527 1.824 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1760190019 XIAKPDUXGRVRAM-QGZVFWFLSA-N 419.551 1.089 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1760224937 CWACSXDHZZSPJZ-AWEZNQCLSA-N 421.523 1.413 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCc2ccn(C)n2)CC1 1760262167 IZRNXQWFNSJZQL-UHFFFAOYSA-N 403.534 1.909 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1760351701 KFFCJBMMLQZELU-QGZVFWFLSA-N 418.542 1.600 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OCC2CC2)CC1 1760515189 QPUBRVPPHMFXRO-UHFFFAOYSA-N 416.526 1.212 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnc(C(C)C)nc1 1760523087 LXPXLOBWKARZMU-UHFFFAOYSA-N 409.498 1.531 30 10 HDEE CC1(C)CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1761564166 ZUKKZTPMBGQGJS-CYBMUJFWSA-N 405.480 1.308 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C(=O)OC)CC2)n1Cc1ccc(C#N)o1 1771211837 JCJWEXUJJMQBST-AWEZNQCLSA-N 418.454 1.403 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3ccc4c(c3)NC(=O)[C@H]3CCCN43)CO2)nc1 1851451015 PRXYMVUXESVDLE-CRAIPNDOSA-N 405.414 1.851 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN3CCCC3)CC2)cc1 1851890385 GQHTYMLCSQZQCX-UHFFFAOYSA-N 419.547 1.311 30 10 HDEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4ccc(F)cc4)nn3)CC2)cn1 1852009138 QMGMXGSPIRYHBK-UHFFFAOYSA-N 419.420 1.708 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(COc2cccc(C#N)n2)CC1 1852982807 QXLMXJBNKROVBH-QGZVFWFLSA-N 406.508 1.385 30 10 HDEE CCOc1ccc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1 1853084268 YDLISACNWUZLQL-SFHVURJKSA-N 412.446 1.684 30 10 HDEE C=CCC(=O)N(CCN1CCOCC1)c1ncc2c(Br)nn(C)c2n1 1853087238 RWSFAJSTNAWBAK-UHFFFAOYSA-N 409.288 1.367 30 10 HDEE Cn1nncc1CN(CCN1CCCc2ccccc21)C(=O)c1cnc(C#N)nc1 1853499133 VTQALQSDTBBMLV-UHFFFAOYSA-N 402.462 1.572 30 10 HDEE COc1cc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)ccn1 1854197735 YOBFBPDXWLWUCM-QGZVFWFLSA-N 407.430 1.251 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854366268 DAANXMLGCUGKDK-LJQANCHMSA-N 400.523 1.944 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C(=O)C12CCCC2 1854396759 WQYDFAXFERZNDD-SJORKVTESA-N 401.488 1.627 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@H]2C)c1 1854706541 HPRXYDBZKXDLDO-MRXNPFEDSA-N 411.483 1.857 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CSc2ccncc2)CCN1CC(=O)c1ccc(C#N)cc1 1855147266 QCIVSZVQMAZPST-OAHLLOKOSA-N 408.483 1.988 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CC(=O)N(C)C1 1855156114 JARCISUPGJZPNN-HIFRSBDPSA-N 402.882 1.557 30 10 HDEE Cc1cccn2c(=O)cc(CN3CCC([C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)nc12 1855250043 MRHFIRRWFRCXFE-QGZVFWFLSA-N 407.474 1.504 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)CN3C(=O)COc4ccccc43)C2=O)CC1 1855604665 NNBPYJIYIHBABL-SFHVURJKSA-N 410.474 1.555 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)CCN1CCC#N 1855872167 BIPILRHSGSMTEP-AWEZNQCLSA-N 406.870 1.879 30 10 HDEE N#CCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1856538881 RVABJXOFLMTOIX-MSOLQXFVSA-N 409.490 1.720 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(CC(F)(F)F)c3cccnc3)CC2=O)CC1=O 1857480668 JMYJOMANQXQZDU-LSDHHAIUSA-N 424.423 1.860 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1858298788 ZEDMPZXCWJRPOH-MRXNPFEDSA-N 413.455 1.522 30 10 HDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1C 1865729441 OZVUHKLETVBJSO-MRXNPFEDSA-N 422.485 1.288 30 10 HDEE CCCCCCCCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(CCO)CC1 1870667800 LOUJLJJSCDOXMR-UHFFFAOYSA-N 422.570 1.183 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(CC)cc1 1874432505 JMZGHLRYUIUVLO-SSDVNMTOSA-N 402.524 1.977 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccc(OC)c1O 1874432822 ZDRJRNZLEIIFIV-ZVBGSRNCSA-N 420.495 1.129 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(C(=O)N3CCSCC3)CC2)cs1 1890704389 VMNLPVNBRARDLP-UHFFFAOYSA-N 408.549 1.487 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCNC(=O)CC2)[C@H]1c1ccc(C#N)cc1 1891995641 XYSSTMVIEYZJOI-MOPGFXCFSA-N 400.504 1.300 30 10 HDEE Cn1nc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2074367964 PDYATUYVTBQKEB-MNOVXSKESA-N 414.308 1.022 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074690147 JFINTNHSJJINFJ-HJWYETAXSA-N 410.492 1.539 30 10 HDEE CC[C@H](C(=O)NCCOc1ncc(Br)cc1[N+](=O)[O-])n1cnc(C#N)n1 2087921503 LLNRWKNWUNHLMR-SNVBAGLBSA-N 424.215 1.362 30 10 HDEE C#CCN(c1cc(F)c(I)cc1N)[C@@H]1CCS(=O)(=O)C1 2169177692 YOTYRNYVOZUHBW-SECBINFHSA-N 408.236 1.639 30 10 HDEE CN(CCC#N)C(=O)CN=[S@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2174593488 IZBBWNISRMHHOW-MHZLTWQESA-N 401.533 1.314 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1(F)F 2174787708 XCSPEYBFDXTFOC-STQMWFEESA-N 408.471 1.701 30 10 HDEE C#CCN(C(=O)C[C@@H](C(F)F)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180137201 IZATXBXULRBYMG-STQMWFEESA-N 408.467 1.526 30 10 HDEE CN(C(=O)C(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1)[C@@H](CC#N)C(F)(F)F 2181148021 PQXPILVXOPWTPE-VIFPVBQESA-N 401.332 1.906 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243419129 RWXHBQAVGURULQ-AAEUAGOBSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243479110 LIHQNLLVYPKARD-AWEZNQCLSA-N 407.320 1.866 30 10 HDEE Cc1cc(C(=O)NC[C@@H](CO)NC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2247817286 LRNFCAVYSQAMMG-ZDUSSCGKSA-N 424.303 1.503 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247820188 NCPRQFTXFRMKJY-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CC(C)[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247827814 DINHXQORYROPSZ-AWEZNQCLSA-N 422.335 1.988 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCc2csc(O)n2)OC1(C)C 2267372402 NYWXBMKANOKFEY-UHFFFAOYSA-N 402.328 1.688 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C2(CC2)C1 2272892255 KRAGRRGVZNSXQO-HOTGVXAUSA-N 421.475 1.464 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2282317782 ADTHBJZOCJJVML-RUZDIDTESA-N 405.322 1.124 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2282329325 LAKSVVRDCLNCES-VXGBXAGGSA-N 401.359 1.733 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2282331728 RDEBTTOCPFQYFC-WPRPVWTQSA-N 415.264 1.637 30 10 HDEE CC[C@@H](N)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282408288 HFADIIYQOFHGCR-CYBMUJFWSA-N 402.753 1.997 30 10 HDEE CNC[C@@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507337 GHIVXYTZNHNEOU-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE C[C@H]1C[C@@H]1N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509700 NVWZLGGDJXVRBF-JSGCOSHPSA-N 401.359 1.580 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282603579 IUSOCRZIUVSTGO-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE CC1(C)NCC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850678 RSPDABUUFRXQQS-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CCNC(=O)CN(CC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282851198 YSTIKEYXJWAMPD-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE C[C@H]1CC[C@H](CN)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856506 UCOMLFKPPHVZPJ-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE C[C@H]1CNC[C@@H]1CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282862827 IYXJAWWZCXNTSG-STQMWFEESA-N 400.375 1.571 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCC[C@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282866552 LNBWOWRRJQICGC-CHWSQXEVSA-N 400.375 1.822 30 10 HDEE C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876007 WZGRLPSZRDVRHV-NEPJUHHUSA-N 401.721 1.783 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)N2CCC[C@@H](C#N)C2)cs1 2286719608 DIVUAEUGNPXYTC-LBPRGKRZSA-N 415.541 1.738 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(O[C@@H](CNC(=O)OC(C)(C)C)C(N)=O)n1 2300131945 URJOZSKCRJOYFG-AWEZNQCLSA-N 421.303 1.447 30 10 HDEE COc1ccccc1C=Nn1c(SCCO)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329055956 DZBXXJXJSPKNJA-HNNXBMFYSA-N 403.508 1.978 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365208073 RGJAWMOCGZAXQV-AUUYWEPGSA-N 401.525 1.828 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367809062 JMSDTMXXVSWHSU-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@H]1S(C)(=O)=O 2368480456 MGDPOPGSEQEHKR-WDEREUQCSA-N 400.331 1.056 30 10 HDEE C=CCC1(N[C@@]2(C(=O)O)CCS(=O)(=O)C2)CCN(C(=O)OC(C)(C)C)CC1 2373546393 JZWIJSWDXRKOKK-SFHVURJKSA-N 402.513 1.564 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)c1 27364355 JDPCXHOFJIJVII-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)c2ccccc21 33268715 JNYVSPRXQSYOLZ-UHFFFAOYSA-N 422.460 1.837 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C1 219950139 GHCKHUJGIPXXSN-ZDUSSCGKSA-N 404.386 1.761 30 10 HDEE N#CC[C@@H](N)c1nc(I)cc(I)c1O 238599738 CNKSPFKGLYLMRY-RXMQYKEDSA-N 414.972 1.910 30 10 HDEE C[C@]12CCC(=O)N1[C@H](C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1)CS2 253485807 RIDDYYJEAIEZBM-DOXZYTNZSA-N 416.528 1.852 30 10 HDEE C=CCn1c(=C(C#N)S(=O)(=O)c2ccc(C)cc2)sc(=Cc2ccco2)c1=O 254870618 YTTBHKCSZVTJEZ-UHFFFAOYSA-N 412.492 1.932 30 10 HDEE CCN1CCN(c2ccc(CNC(=O)NCCOc3ccc(C#N)cc3)cn2)CC1 465536485 DVQRLNAWVSOIEY-UHFFFAOYSA-N 408.506 1.973 30 10 HDEE CCN(CC)C(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 476184769 VPQURYUYHQFPNW-UHFFFAOYSA-N 420.535 1.599 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 480037229 GWFOJUIKKFZVDG-MRXNPFEDSA-N 417.473 1.583 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)C1 481433044 HNLCDLICVMGFOR-AWEZNQCLSA-N 420.470 1.108 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1F 488920205 QEOXTKVPYWCLSC-UHFFFAOYSA-N 423.491 1.534 30 10 HDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCOC[C@@H]1C#N 501415273 JFBQVSRZAREYPA-ZDUSSCGKSA-N 419.297 1.777 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 519188380 OZLKWRNEVLZSMW-AWEZNQCLSA-N 407.544 1.582 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCCS(=O)(=O)c2ccccc2)CC1 520765654 KLQBZRAYPHILNU-UHFFFAOYSA-N 413.503 1.649 30 10 HDEE CCn1cc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)c([N+](=O)[O-])n1 530428123 MHLXWOUQJLRYMJ-UHFFFAOYSA-N 405.436 1.915 30 10 HDEE CC(C)C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)NCCN(C)C 535500676 JLHCLERFOSOWMK-SFHVURJKSA-N 411.510 1.148 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 547405492 LSRWHEUUALFRCT-CQSZACIVSA-N 406.460 1.868 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 549278490 BAZMLXWIUXSKBV-ROUUACIJSA-N 404.515 1.989 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)N3CCC(N4CCS(=O)(=O)CC4)CC3)CC2)c1 552426414 JLLPRWQORXTVLW-UHFFFAOYSA-N 405.495 1.450 30 10 HDEE C=C[C@](C)(O)CC(=O)NCc1ccccc1N1CCN(C(=O)C[C@@](C)(O)C=C)CC1 564473426 JZKSHRCBYSDPIU-GOTSBHOMSA-N 415.534 1.606 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1COc2ccc(F)cc2C1 565453725 PXGNANUQGSJORG-MLGOLLRUSA-N 403.435 1.484 30 10 HDEE COC(=O)[C@]1(NS(=O)(=O)c2cccc(Br)c2C#N)CCSC1 566337587 WKEPCUWGKRAOGW-ZDUSSCGKSA-N 405.295 1.648 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H](C[C@@H]2COCC(=O)N2)c2ccccc21 574597899 ORPJJMMWBJPJMU-DLBZAZTESA-N 421.453 1.981 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 581680002 WICMNYNRWUJJAI-CQSZACIVSA-N 404.496 1.372 30 10 HDEE C[C@H]1CC[C@H](C)N1CCN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862848 DJUUIEGRVTXEMX-IRXDYDNUSA-N 415.513 1.331 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619743072 IWAZBAAOAZJDAZ-UWJYYQICSA-N 419.533 1.992 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCCC)[C@@H]3CCS(=O)(=O)C3)cc2C1=O 620448961 CXFZPNYKQKUTPN-OAHLLOKOSA-N 404.488 1.898 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669817982 FLMLAVNUPDKIGU-YLJYHZDGSA-N 409.538 1.439 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)c2ccc(C#N)cc2Cl)[C@@H](O)C1 702785600 PZIFVGKHBRXEDF-OCCSQVGLSA-N 415.899 1.718 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNc2ccc(S(N)(=O)=O)cc2C#N)cc1 742175027 IYGYUPLKEWDJBC-UHFFFAOYSA-N 422.532 1.848 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC(C)C 743917307 GAVINRDRRIJSMA-ISLYRVAYSA-N 400.435 1.363 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746531124 FNPXREMSOVAIKA-UHFFFAOYSA-N 415.471 1.395 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 753391194 YDZAPRVZOGNCNH-ZDUSSCGKSA-N 406.485 1.711 30 10 HDEE C#CCN(CC)C(=O)C[C@]1(C(=O)N(CC)CC#C)CCN(C(=O)OC(C)(C)C)C1 764878706 KOWOTINYASSZGN-JOCHJYFZSA-N 403.523 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCc2ccc(C#N)cc21 767864024 GGQMBOQEHXDQMB-HNNXBMFYSA-N 407.492 1.775 30 10 HDEE C#CCN(C(=O)NCc1ccc(Cn2ccccc2=O)cc1)[C@H]1CCS(=O)(=O)C1 774196114 OWSXKYISTKBVEM-IBGZPJMESA-N 413.499 1.229 30 10 HDEE C=CCOCCN1C(=O)[C@@H](CC(=O)NC)SC1=Nc1cc(OC)ccc1OC 779753008 ATLDSYCPYHAWSV-MRXNPFEDSA-N 407.492 1.974 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 780863280 RIOUKAWYTQETEV-OALUTQOASA-N 412.877 1.616 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C(=O)OC)c2C)n1 788694278 NORBGEAGYIBUDP-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE Cn1ncc(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)c1Br 791890984 KVQKQQSVXVJQTL-LLVKDONJSA-N 406.196 1.730 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 798037367 YULZMOIYJPFEAJ-KKUMJFAQSA-N 404.529 1.412 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=C)C)CC1 802577193 VFOGZGRDHMAUJF-UHFFFAOYSA-N 415.929 1.994 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCO[C@@H](C(F)F)C3)ccc21 802585204 WGESSNCGUBAXOP-MRXNPFEDSA-N 420.416 1.701 30 10 HDEE CC(C)N(CCN1CCCCCC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 805279319 IRSTUXILZUYYOI-UHFFFAOYSA-N 406.552 1.838 30 10 HDEE Cc1cc(C)n(N=Cc2ccc(S(N)(=O)=O)c(Br)c2)c(=O)c1C#N 807958666 DJDQCWWWHYZQPR-UHFFFAOYSA-N 409.265 1.629 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H](OC2CCOCC2)c2ccccc2)c1 813981610 GIEREDHTMMCGBP-GOSISDBHSA-N 401.444 1.695 30 10 HDEE Cc1nc([C@](C)(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817623606 LUWAOYWQCQIGBJ-NSPYISDASA-N 417.491 1.637 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3cccnc3)n2)o1 1084494317 FIUIRHZXEQYEDD-UHFFFAOYSA-N 401.456 1.390 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C)nc3c2cnn3C)c1 1125489493 RZOLDUIJFGCJHO-UHFFFAOYSA-N 417.469 1.764 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cc(Br)ccc3F)C[C@H]1CS(=O)(=O)C2 1134056982 XRPHIKITXFVXNY-NHYWBVRUSA-N 401.257 1.527 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccccc1 1143126375 BFPQDBBVTUWFHL-SFHVURJKSA-N 400.456 1.632 30 10 HDEE C=C[C@@H](C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1)c1ccccc1 1152947252 JDNXJSSYPTXOGX-GOSISDBHSA-N 414.483 1.917 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)COC1 1153867189 ZIAVICJBRNLSBQ-ZIAGYGMSSA-N 424.498 1.545 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2c(F)cccc2F)s1 1155238217 DPSWRPGZJVKUAA-AWEZNQCLSA-N 416.471 1.883 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1157759498 AHVXFTFTZKMFFG-QGZVFWFLSA-N 410.536 1.929 30 10 HDEE COC(=O)[C@@H](CNC(=O)COc1cccc(Br)c1C#N)[C@@H]1CCOC1 1159772548 OSSQGUCNJZAEFN-YPMHNXCESA-N 411.252 1.641 30 10 HDEE C=CCCC[C@H](C(=O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1)c1ccccc1 1160656341 IQDQGTAOZNBOGR-ZCNNSNEGSA-N 406.548 1.429 30 10 HDEE CN(C)CC#CCNC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1170982922 CGMWZDYUNPPICA-UHFFFAOYSA-N 416.459 1.690 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CCC)C1 1177754679 MCQYYSAXXJSQDT-HNNXBMFYSA-N 409.490 1.612 30 10 HDEE CC[C@H](CN1CCOCC1)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1178209223 ZSDQBCWZGYIROA-QGZVFWFLSA-N 421.339 1.984 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cn1 1178460594 NDSDMDZJUCWVKX-INIZCTEOSA-N 414.491 1.315 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(F)c3)CCO2)cc1 1179405335 PKOSHAZKHNLZHX-GOSISDBHSA-N 403.435 1.576 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(C2CCCC2)c1 1188222181 GYBFIEBAGXWPLT-CQSZACIVSA-N 401.496 1.559 30 10 HDEE COc1ccc(N2CCN(C[C@H](O)CN3CCC4(CC3)CC(=O)C=CO4)CC2)cc1 1198242692 SBOJIXTZCVKVQR-OAQYLSRUSA-N 415.534 1.516 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(Cl)ccc2OCCS(C)(=O)=O)nn1 1215489227 JIMAOAVLCPCUGO-UHFFFAOYSA-N 413.887 1.863 30 10 HDEE C#C[C@H](NC(=O)N1CCn2ncc(I)c2C1)[C@@H]1CCCO1 1234637520 YYRIQTPXUDRDCX-AAEUAGOBSA-N 400.220 1.194 30 10 HDEE C#CCCCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)[C@@H]2CS(=O)(=O)C[C@@H]21 1282596922 GWFIWRNVMRAVML-MTHXSQLBSA-N 404.532 1.229 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1286446388 FIBYQQLMZISULH-MRXNPFEDSA-N 421.567 1.431 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCCO)CC1 1286475676 GEJKBCBVCFXKGJ-UHFFFAOYSA-N 420.517 1.648 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286508996 ZYSKWFRLQFSRPW-INIZCTEOSA-N 405.549 1.254 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286560878 JYJINUNILQWHAI-BQFCYCMXSA-N 419.551 1.888 30 10 HDEE C=C(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC)c1ccccc1 1286616684 AXPWVHGBTOFELH-QGZVFWFLSA-N 405.524 1.781 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286700383 GTRKWQKFHCWXHW-HNNXBMFYSA-N 410.544 1.104 30 10 HDEE C=CCN(C)c1nnc(CCCc2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286730483 USQWSBOROFIWLX-FQEVSTJZSA-N 404.536 1.625 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1286774099 YSNDEDSZFSCGOG-NWZZKEMCSA-N 403.527 1.809 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2c(ccnc2N(C)C)C1 1286788539 YEJWCLSCAFZCTA-INIZCTEOSA-N 411.510 1.108 30 10 HDEE CC(C)(C)C1CC(n2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)C1 1287015343 UEDXKKNLEXBQLT-LMPOIIKSSA-N 407.540 1.906 30 10 HDEE C#CCN(CC(=O)NCCN1CCN(Cc2ccccc2)CC1)C(=O)OC(C)(C)C 1290311252 UFUILBUKIBAWQP-UHFFFAOYSA-N 414.550 1.791 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)COc3cccc(Br)c3C#N)CC2)C1=O 1293825237 JIOKSYNAHLUHAF-UHFFFAOYSA-N 421.251 1.242 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1295930187 TUEDZGUGWFLBCB-IAGOWNOFSA-N 419.478 1.794 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(c3ccccc3)C2=O)s1 1296279970 JXADPAMEEFWKOQ-HNNXBMFYSA-N 405.501 1.287 30 10 HDEE C#C[C@@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)[C@@H]1CCCO1 1296699695 HFRAEJMTLWKFNV-SJORKVTESA-N 413.478 1.707 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCCO2)C1=O 1298878360 PZJJXWXSTBDKJM-XMSQKQJNSA-N 424.505 1.822 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1299178766 NLPPQRRWESYUOS-JTQLQIEISA-N 423.672 1.045 30 10 HDEE C#CC[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)OC 1299179041 MMLJHEAOLQIYNX-GOSISDBHSA-N 406.504 1.475 30 10 HDEE C#C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)c1ccccc1 1299870094 WVOFMRCJGBTPTQ-IRXDYDNUSA-N 406.504 1.901 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@](C)(O)CCOC)c1 1300332728 MDWNMPORTYBZCO-JOCHJYFZSA-N 411.506 1.999 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300498072 GKWNEHYSPHTDDJ-SFHVURJKSA-N 418.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300553252 AHNOPANPFLLVTI-FGZHOGPDSA-N 419.529 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCn2cccn2)CC1 1300719643 KBOLJJOHTFOJCT-UHFFFAOYSA-N 406.494 1.526 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1300949460 YUOMSIRVNIZCMA-OAHLLOKOSA-N 400.508 1.829 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2cnccn2)CC1 1300983824 QJBWAIIAQFUQCB-UHFFFAOYSA-N 407.482 1.444 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](Cn2cccn2)C1 1301223194 PARPMRKQZUWNBL-IRXDYDNUSA-N 420.539 1.248 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1301236678 HWJZEKPXMDKNBY-UHFFFAOYSA-N 421.542 1.942 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1301595527 VKIGWVXXCZGNQM-AWEZNQCLSA-N 415.523 1.546 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CC1 1301612339 LKCARHFTVITHOX-OAHLLOKOSA-N 415.585 1.519 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCO[C@H]1C 1302292941 DVALGNAQBWFDPJ-XPKAMFKHSA-N 419.526 1.672 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)c1 1303005365 ZLRUVTQHPUQDQA-IBGZPJMESA-N 415.467 1.318 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN1c1cnn(C)c1 1303323808 CFGLOVYRFDJDFH-JKSUJKDBSA-N 413.530 1.557 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC(=O)N1C 1305147730 FDSUHSYGOUECOG-JCGIZDLHSA-N 410.478 1.024 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1307876167 ZTFGFQAXEURMNP-JXFKEZNVSA-N 421.519 1.220 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1F 1309584169 CBWYXWJNTKLERD-UHFFFAOYSA-N 409.464 1.716 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)nn1 1309605839 PLKGMZHGJOMVES-UHFFFAOYSA-N 403.386 1.235 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCn2cc(C(=O)OC)nn2)cc1 1310196672 UFWOVZAEYCUNBB-UHFFFAOYSA-N 412.450 1.701 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CS1(=O)=O 1312469093 IYHCABBJUBYYBS-ZOBORPQBSA-N 400.501 1.010 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1Cl)[C@H]1CCS(=O)(=O)C1 1312759048 SCOKPELUKFAVIN-AWEZNQCLSA-N 414.911 1.732 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1Cc2ccccc2O1 1316097792 ICERKIMODGNYBO-GOSISDBHSA-N 424.505 1.884 30 10 HDEE CN(CC#Cc1cccc(Cl)c1)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1332649422 WLSLPUDRVQCAQT-YQPXSLGVSA-N 402.922 1.866 30 10 HDEE COc1cc(C#N)ccc1OC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1348114684 KSIZSTHQLDIQNZ-CYBMUJFWSA-N 403.435 1.940 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2ccccc2OC)CC1 1358948441 CLXFOFWXUSZGKB-MRXNPFEDSA-N 414.531 1.990 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1358961506 ADEKRXFUDHVGTE-UWVAXJGDSA-N 422.551 1.307 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1358966233 KFDJMSGSZGVNBL-MRXNPFEDSA-N 422.942 1.407 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCC[C@H]1C 1359027064 UQIXOFFOGFHHKO-IIBYNOLFSA-N 400.527 1.777 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1359032021 YJQINLSYZINOCG-VGOFRKELSA-N 406.490 1.112 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCC2(O)CCC2)CC1 1359044508 IBQBBEQESSYRHF-GOSISDBHSA-N 415.538 1.791 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1359054151 LBPADKVHNUZAND-UHFFFAOYSA-N 409.519 1.780 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(N)=O)c1 1359069998 CPAMCPDOBRTEBT-VGOFRKELSA-N 409.490 1.687 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCCCC2 1359278097 ICXVWYYDEOROQG-UHFFFAOYSA-N 416.530 1.421 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1cccc(C(N)=O)c1 1359299759 MXNZSPGKHKXEDH-QGZVFWFLSA-N 412.494 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 1359301259 VQTBPTVTYOCGJV-CVEARBPZSA-N 415.498 1.235 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)CCC2CCCC2)CC1 1359302030 VEZWYIDLFUOZKP-UHFFFAOYSA-N 402.543 1.762 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359327600 GEKOPIPNELYNDK-AWEZNQCLSA-N 410.500 1.272 30 10 HDEE CN1CCn2ncc(C(=O)Nc3cccc(Oc4ccc(C#N)cn4)c3)c2S1(=O)=O 1444612085 UXKSCBKKMYHXQU-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE CCn1cc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)c(O)nc1=O 1455127362 ZMDPKJZOFZXXFX-LBPRGKRZSA-N 415.837 1.163 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456055693 AHFGAVAWMNVQIK-JPYJTQIMSA-N 419.485 1.763 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@H](c3ccc(C#N)cc3)C2)CC1 1460865347 ZESFQZUNJVWJDC-APWZRJJASA-N 400.479 1.621 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1463412282 PZCVGKKDCIFJPB-UHFFFAOYSA-N 407.286 1.055 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)c1 1464192576 AQVGVBPDRSQZPF-USXIJHARSA-N 421.519 1.889 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1464290931 BLKRNTGSAQKASV-MRXNPFEDSA-N 412.581 1.067 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNc3cnccn3)C2)C1 1464506574 JVIJEEHSMGIGJI-CHWWFWEZSA-N 400.483 1.792 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CN3CCC(CO)CC3)c(C#N)c2N)cc1 1465600256 XISOYLXVFRSYFV-UHFFFAOYSA-N 410.522 1.388 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCc3nc(C4CCOCC4)n[nH]3)C2=O)cc1 1470032978 NFCHGURDYQVADD-KRWDZBQOSA-N 423.477 1.171 30 10 HDEE Cn1ccc([C@@H]2CCCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2)n1 1470034027 VPBZSEFEMYEQEA-UYAOXDASSA-N 406.490 1.982 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H]1COc2cccc(Br)c2C1 1471441382 ZLEFYXULUCDTPK-IEBXDZTQSA-N 420.263 1.785 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC[C@H](C#N)C1 1471765833 HKTIWNOPVYIFFJ-CJNGLKHVSA-N 411.911 1.635 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 1471832614 GVWFPXAKUCTAKR-ZIBIDDQLSA-N 415.559 1.913 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1472162945 SADPDXVCCNJHNF-XQZMSQOBSA-N 424.457 1.467 30 10 HDEE Cc1sc(NC(=O)CN2CCN(C[C@@H]3CCCS3(=O)=O)CC2)c(C#N)c1C 1473718034 CSNRPKLEYJJMLX-HNNXBMFYSA-N 410.565 1.370 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(C(=O)OCC)cc1Br 1475546447 OFXLSLHAKRUXFY-GFCCVEGCSA-N 404.282 1.942 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)[C@H]1C[C@H]1C 1476642069 UYWJADALLFKNLA-VQUGOPFGSA-N 416.503 1.850 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(C(=O)N2CCOCC2)c1 1478499165 IJKFWGUMLGHLHR-NRFANRHFSA-N 422.485 1.906 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(Cl)c(C(=O)OC)n2)n1 1478946983 OOPSTKILLUDKSG-UHFFFAOYSA-N 419.869 1.710 30 10 HDEE Cc1nnc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCO2)o1 1492764284 BONBOFJFEXZXHW-MRXNPFEDSA-N 409.450 1.857 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(C3CC3)nnc2N2CCC(C#N)CC2)c1 1503828046 DUEJIMUMXCNSDU-UHFFFAOYSA-N 400.508 1.852 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1CC 1507615764 BBVXRYBZUQMALF-IKGGRYGDSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1507635649 ULCVBXFBKKCBBU-HNNXBMFYSA-N 408.549 1.328 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1507638237 PTLPRBAMGWERPF-SFHVURJKSA-N 423.583 1.173 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1C[C@]1(O)CCN(C)C1 1507702570 KBDYAKISLYFMMG-NRFANRHFSA-N 401.486 1.660 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1507710759 KLCVNOKTBOIGSF-GJZGRUSLSA-N 423.564 1.526 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(N)=O)C1 1507914752 OHBOAPYLHKCKPC-ACJLOTCBSA-N 412.560 1.192 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(NC(C)=O)nc2)C1 1508122172 HUHNCDAEZVMKRA-ZWKOTPCHSA-N 412.494 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(Cn3cncn3)CC2)nnc1C(C)(C)C 1508147633 AVCGENLSEVYVSC-UHFFFAOYSA-N 421.571 1.685 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)[C@H](C)C1 1508242302 MYGSXZHKLUJWCM-RDTXWAMCSA-N 407.478 1.152 30 10 HDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1508391262 HOTCBQNPWQWQPX-UHFFFAOYSA-N 419.493 1.393 30 10 HDEE CCc1nc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)cs1 1513752297 ULSSSROXSCTRHR-DZGCQCFKSA-N 406.512 1.798 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1519428003 AZUUYGQGBPAVGH-TWOQFEAHSA-N 402.499 1.220 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1521628311 PFUWCMFAJVSDAL-LJQANCHMSA-N 406.504 1.355 30 10 HDEE Cc1c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)nnn1-c1cnn(C)c1 1527043626 CQDJJEVXYJGITE-UHFFFAOYSA-N 404.478 1.575 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)NC2(CCCC2)C1=O 1532371823 FXZUOEDALDASKB-ZDUSSCGKSA-N 401.492 1.521 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1538974130 RBANVUWCSGNIKL-VBQJREDUSA-N 423.514 1.873 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cccs2)CC1 1539125481 MSLJMUFJIQWXGY-INIZCTEOSA-N 419.576 1.982 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1539175474 YORHCTXOCFQLNU-SJORKVTESA-N 408.506 1.834 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)(F)F 1539196340 KGPSQXMIVOKTHI-TZMCWYRMSA-N 401.433 1.945 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)CN(C)C1=O 1539320462 UMIGXLFLYXCCLI-JOCHJYFZSA-N 405.458 1.615 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(F)ccc2OC)CC1 1539445556 AAGUFSVPSOJUHB-UHFFFAOYSA-N 407.453 1.686 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539627181 ICAUSKGOZDYDBY-UXLLHSPISA-N 420.539 1.586 30 10 HDEE C=CCC(C)(C)Cn1c(CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539920610 IHLHBCZZTTZWHD-UHFFFAOYSA-N 402.543 1.714 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1540039997 LZAGOXARGGJCLU-NVXWUHKLSA-N 416.551 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)OCC)CC2)s1 1540397608 GZLAHBHQZWYPFH-UHFFFAOYSA-N 400.522 1.557 30 10 HDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@@H](C)CC(N)=O 1540854298 XEYJTGURFGBSJR-LBPRGKRZSA-N 405.528 1.433 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(F)cc1F 1540862052 PPGWVGWIZXIJJD-UHFFFAOYSA-N 418.448 1.731 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCOC2(CCC2)C1 1540864801 LIHVLGSDYYECKR-UHFFFAOYSA-N 412.450 1.915 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1540907766 HVLUCDPSUGIKBO-CVEARBPZSA-N 418.567 1.396 30 10 HDEE CC(C)c1nnc(N2C[C@@H]3CCCN3C[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1541335921 FWZDREVHLWHHNA-VFAFWLKOSA-N 413.526 1.601 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNc1ccccn1 1541657795 VPZKNPGIKAOCID-IBGZPJMESA-N 400.462 1.755 30 10 HDEE Cc1nnc(N2CCN(c3cccc(O)c3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1543311096 MVTGQIBBXDLSPL-VXPUYCOJSA-N 423.477 1.145 30 10 HDEE C[C@@H]1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCO1 1543651621 HXZWWNJEKRTSKD-WBVHZDCISA-N 415.519 1.867 30 10 HDEE CCOCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1548233957 JGQACSLNSIQXIP-XJKSGUPXSA-N 402.496 1.147 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCc2ccc(C(=O)OC)cc21)c1cc[nH]n1 1558157713 HXSVIFVVVLTFQK-UHFFFAOYSA-N 414.418 1.460 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 1558264778 ZOPZEMILHCSWGO-ZFWWWQNUSA-N 404.410 1.828 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)c2)CC1 1583218602 JYWHHSRSZVKFIX-TWOQFEAHSA-N 402.520 1.891 30 10 HDEE N#C[C@H]1CSCCN1C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1583725630 IEUZVCYZJXCMGF-AWEZNQCLSA-N 421.320 1.988 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2=O)cc1Cl 1585375146 MQVHVIQYEQBWJN-YRVVQQKDSA-N 400.866 1.679 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CSc2ccccc2O1 1586017312 WRRBFHOPCGACKS-GFCCVEGCSA-N 403.485 1.395 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O 1586080025 BMTGNZNWWSVDKA-OAQYLSRUSA-N 407.430 1.713 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@H](NC(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)CC1 1586083501 NANXAALGRLXDAS-OLZOCXBDSA-N 413.362 1.932 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1588109562 HVRSWBFQVBIHJV-OAQYLSRUSA-N 402.462 1.155 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)COCCO1 1588205120 DEHJKLLKJZREQY-QFIPXVFZSA-N 408.458 1.942 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CC2)CC1 1588946942 IUYRGIKCCBQXAX-UHFFFAOYSA-N 411.481 1.499 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1589068690 CQSGEWLLAWVKDD-XHSDSOJGSA-N 412.581 1.550 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1589110753 YZDWVTUNPNOXNX-OAHLLOKOSA-N 405.524 1.156 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1606958618 POZBHMWTIGIAKA-FOIQADDNSA-N 401.515 1.474 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CO[C@@H](CCC(=O)OC(C)(C)C)C2)c1C#N 1609507432 MXGNPSKZGUCKHI-KGLIPLIRSA-N 405.499 1.899 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)CC1 1611772393 TYTABJJDPSMFGJ-HOTGVXAUSA-N 407.540 1.737 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1613009736 CJTBMNGIONWEQD-OPAMFIHVSA-N 423.521 1.239 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@@H](C)O1 1619736406 BHJXSFPWVWMGCQ-CRAIPNDOSA-N 408.466 1.349 30 10 HDEE COCCn1nnc2c1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1624886135 SIOCUVKQWFTZRN-CQSZACIVSA-N 406.487 1.396 30 10 HDEE CC(C)OCCCNC(=O)C1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 1626892116 BFBIAIWYKDTFEK-VZCXRCSSSA-N 420.510 1.073 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](CC#N)C2)cc1 1629174174 ATWCDHMQTGQMGU-KRWDZBQOSA-N 423.535 1.736 30 10 HDEE Cn1cc([C@@H](O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cn1 1630024749 SLYJFMQDBFOCKK-KRSSAMQESA-N 403.483 1.357 30 10 HDEE COc1cc(I)ccc1C(=O)N1CCN(C(=O)CC#N)CC1 1630033957 CBWGYSNCBMKWJF-UHFFFAOYSA-N 413.215 1.498 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)C#Cc3cccs3)ncnc1-2 1632970947 GYOKHGYMJPKIHQ-UHFFFAOYSA-N 405.281 1.141 30 10 HDEE COC(=O)C1(CNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCOCC1 1633765342 WSQXMIRBGKNJPZ-UHFFFAOYSA-N 417.311 1.994 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1636627439 NIPLWYHMJKMADA-MRXNPFEDSA-N 409.464 1.790 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@]1(CO)c1ccccc1)c1cc[nH]n1 1637629689 DJNUSBWLYHPNFW-FQEVSTJZSA-N 400.435 1.204 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2cccc(OC)c2)c1 1641489074 LRKYREGAVLJUJI-SFHVURJKSA-N 418.471 1.804 30 10 HDEE C=CCc1cc(C(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)cc(OC)c1OC 1645841874 NXXLKQHZFYHXAG-JOCHJYFZSA-N 418.490 1.522 30 10 HDEE CCOC(=O)C[C@H](O)C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1645937740 MWLAVAJHLQZEPV-FXQIFTODSA-N 413.261 1.930 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1646091074 PTQJTMRQPRTGEO-GOSISDBHSA-N 412.490 1.540 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)CCN/C(O)=C2/N=CC=CC2=O)C2(CC2)C1 1648022616 FQWNSZDQZWSMLY-HYEKCJMVSA-N 404.467 1.419 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Br)c(F)cc3N)C2)c(=O)nc1O 1648028593 GVTHYTIJZKFZSE-UHFFFAOYSA-N 408.187 1.001 30 10 HDEE C#CCN(C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCN(C)CC1 1652512267 OMLUFMIOJPNIFV-KTKRTIGZSA-N 424.545 1.456 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)c(C(=O)N(C)C)c1 1662964603 IDQYSCPSRVWNHJ-UHFFFAOYSA-N 410.492 1.363 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1663904444 MQDRJGCYVGSMBM-VIFPVBQESA-N 410.261 1.980 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](c2nc(C)c(C(=O)OCC)s2)C1 1670883481 YQQDQVXNCXSKKF-CYBMUJFWSA-N 415.537 1.728 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n(C)c1C 1671495380 QUQSZTFNVMVNOL-CJNGLKHVSA-N 419.482 1.678 30 10 HDEE CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C1CC1 1681672371 RJLSYUOVOYMWPQ-QKNQBKEWSA-N 416.547 1.477 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCn3ccc4cc(Cl)ccc43)C2)c(=O)nc1O 1682353966 MWQZIHSRXVVZPZ-UHFFFAOYSA-N 412.837 1.695 30 10 HDEE C#C[C@@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)C 1682897952 ZXKGCKPFYOBZMD-HUUCEWRRSA-N 401.529 1.368 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1cnn(C)c1 1689913639 RWQWSDSNUCPRAP-HOCLYGCPSA-N 405.528 1.377 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CC)CCOCC1 1690032843 KPCADFQVAWLVSZ-KRWDZBQOSA-N 421.567 1.558 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCC(=O)NC(C)(C)C)n1 1690108144 QPUROAYSYCGQRQ-UHFFFAOYSA-N 401.515 1.374 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(N)=O)CC1 1690432619 HUQMEUPHIMCFNR-MRXNPFEDSA-N 423.583 1.874 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1690592693 GIBBSXXXYRXCAU-JOCHJYFZSA-N 421.505 1.839 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690634750 ROBGCMBLBTXMLQ-HNNXBMFYSA-N 415.885 1.946 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC(F)(F)F)CC1 1690669706 MLYCWBPKQPWWOE-ZDUSSCGKSA-N 414.432 1.700 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CC1 1690858759 AYLKVPQUIXWTRC-QFIPXVFZSA-N 424.505 1.558 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1CCOC1 1690997521 LMVJBARSPHKNEY-JKSUJKDBSA-N 407.482 1.943 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1691002978 ABHJFQKPZLKRTN-ZBFHGGJFSA-N 422.555 1.397 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCOC2)CCOC1 1692633441 LRMAHDHUXRTMPO-NHCUHLMSSA-N 419.526 1.600 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1OCCC1(C)C 1692788073 SKUZYTBDTASUEX-GOEBONIOSA-N 424.571 1.833 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1698303034 BFUJUHIZVXHGIL-LJQANCHMSA-N 420.514 1.921 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1705474925 HNGMGWGEGQPACJ-QGZVFWFLSA-N 416.570 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1705495133 KYDAVBZSMMQCNG-MAUKXSAKSA-N 416.503 1.849 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1705523822 ZTWWPVLBFSFHPT-HRAATJIYSA-N 410.478 1.723 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1705542882 PYMYFXFHKVRRRY-DLBZAZTESA-N 401.515 1.474 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1705548195 YYXFTHABMQLUAS-OAQYLSRUSA-N 405.543 1.235 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1705612784 OZTYECBWLMCHLI-MRXNPFEDSA-N 415.519 1.669 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC1 1705639395 NCPQDYZXMREYQT-QGZVFWFLSA-N 405.568 1.516 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(C(N)=O)CCOCC2)CC1 1705776730 NZBJSPPUCJZYJT-MRXNPFEDSA-N 421.542 1.687 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1705883528 LIVOOMKKLVEDSS-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2c(cccc2OC)C1 1705894646 GTOPHEDBCPNLKJ-UHFFFAOYSA-N 412.494 1.290 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 1705897672 RBPXAQBQLLXNGO-MRXNPFEDSA-N 401.446 1.428 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(C)CN(C)C2=O)C1 1705927474 ZDLGQXBBBXKRQR-UZLBHIALSA-N 416.551 1.893 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC#N 1706655774 HLUVSGMOINAETI-HNNXBMFYSA-N 415.523 1.883 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c(OC)c1 1711845832 KUPFMZPZPURIDD-SJLPKXTDSA-N 413.478 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccccc1 1722292662 AHNCJGIJYPUUHD-IEBWSBKVSA-N 415.563 1.770 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1722321525 GWQBCNQEMDMGCM-IIBYNOLFSA-N 403.527 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)OC 1722399602 DEJGTHGKXUCMOO-SFHVURJKSA-N 407.522 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1nccn1C(F)F 1722400866 CDMMUVUYGNLTEZ-UHFFFAOYSA-N 401.421 1.503 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1722401355 UTVBREXTFNEHFN-SFHVURJKSA-N 411.506 1.407 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCC(F)F 1722405997 JMCDYNQZPSPGKG-UHFFFAOYSA-N 407.421 1.803 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCC(C)CC1 1722418730 AIGXSJCPLKXYPX-UHFFFAOYSA-N 402.543 1.332 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccncc2)CC1 1722433424 UYRNHXJLSOVKKN-QHCPKHFHSA-N 424.549 1.712 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722451534 KWOFIVLLAAPDFE-HNAYVOBHSA-N 423.539 1.399 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(CC(C)C)CCO1 1722466291 PCSXUGJIBYDJFA-PGRDOPGGSA-N 416.570 1.765 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1722521990 LWZONTYVHJAQLE-UHFFFAOYSA-N 405.462 1.979 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722600960 SSIKGJXPFQUENH-GJZGRUSLSA-N 401.471 1.855 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1722691347 SPSIJSMCWHXVAD-SJLPKXTDSA-N 404.559 1.593 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722695063 RIUCUPYNUPVNHL-KRWDZBQOSA-N 421.505 1.983 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1722701448 QCHBKTMIJVUPMN-CQSZACIVSA-N 409.494 1.353 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(OCC2CC2)CC1 1722702493 ORHPQUQXDRPUKR-UHFFFAOYSA-N 416.526 1.098 30 10 HDEE CC(C)(C)[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1723019037 HGMLRVVSIKQHLW-GUNSETOZSA-N 414.535 1.676 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1ccccn1 1723940452 CGQMOJCYSQDNJT-BEFAXECRSA-N 417.539 1.656 30 10 HDEE CCCOCc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1728240660 SUMHNCCIXPXVNL-RBUKOAKNSA-N 424.505 1.933 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1729190550 HPBOMAOKPNCOGM-HUUCEWRRSA-N 421.523 1.944 30 10 HDEE CO[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730372043 DCXPHRUDYGWIKI-MJWGMMHASA-N 402.499 1.618 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1740553893 NDJQXSRINMAZDU-GBESFXJTSA-N 416.570 1.920 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CC(OCC)C1 1740602371 KJUITVGYDKSHSV-UHFFFAOYSA-N 418.519 1.348 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C)n(C)c1=O 1740604126 RFUZVGJKIZFDHC-UHFFFAOYSA-N 405.458 1.841 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1740671297 CZOSAEOWBLUIDX-CQSZACIVSA-N 423.926 1.767 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OC(F)F)c1 1740683910 RCBDMEZCBNERCU-UHFFFAOYSA-N 417.420 1.809 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(N)=O)CCOCC2)CC1 1740834353 SVKIHPQHDPRBQJ-UHFFFAOYSA-N 404.515 1.101 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@H](C)C1 1740959268 PMXGFNQGGUXGKP-KBPBESRZSA-N 400.483 1.790 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1 1740960734 ZAHDLTPILHUJNF-INIZCTEOSA-N 403.508 1.119 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1740967001 ZOPIGKSVJDUXBJ-DYESRHJHSA-N 415.469 1.669 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)C1CCC1 1741664980 KIKVBTCUBQWJFT-OAQYLSRUSA-N 415.542 1.853 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1)OC 1744165754 KAUCSHCUAXHSLL-LMMKCTJWSA-N 424.505 1.869 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1748717904 LKARCCZNKKJFDZ-KRWDZBQOSA-N 422.551 1.370 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(COCCOC)cc1 1748765285 ARTJKMKZTMISLU-UHFFFAOYSA-N 411.506 1.795 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1748800327 VMOZTEOLPLAWDI-UHFFFAOYSA-N 409.450 1.146 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1748841957 CJFCNCRKQIFLTR-IVZQSRNASA-N 418.457 1.207 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1Cc1ccc(-n2cncn2)nc1 1748882707 CCTZDMIEWPZNFL-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1748971502 SIRWEBJRCGMENO-LJQANCHMSA-N 424.549 1.947 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749032571 LWXVWOIWKKQCRW-HNNXBMFYSA-N 420.564 1.505 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C 1749054083 OVJPRBYNRXVUCX-AUUYWEPGSA-N 420.539 1.728 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1749487616 FVKKYNXBEVSYMK-NRFANRHFSA-N 410.526 1.553 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1749665763 BUNWSSLGPMJMTM-UHFFFAOYSA-N 408.506 1.857 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC)(CC)C1 1749669553 LURJPRQZHKEJFJ-HNNXBMFYSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@H](C)S[C@H](C)C1 1749733760 BLIWFCCKQVOBGQ-ZNMIVQPWSA-N 400.570 1.713 30 10 HDEE COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@@H](C#N)C1 1749843970 QBQDLOJXTPCPGK-INIZCTEOSA-N 420.514 1.768 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cc(C)oc1C 1760176001 XDYLYBFDWWJULS-BEFAXECRSA-N 406.508 1.367 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1760234598 YWHYNACZZWBOCA-MRXNPFEDSA-N 409.556 1.507 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOC(C)C)CC1 1760269443 IMIJBNJZUBWRSK-GOSISDBHSA-N 403.527 1.563 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760428487 XPFMNPVEKMITPF-MSOLQXFVSA-N 423.583 1.889 30 10 HDEE C=CCCCn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760443449 UMJGEHAVMMGIBZ-IBGZPJMESA-N 413.522 1.989 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1C1CCC1 1760514430 FQRLGZUJJZJBAB-MRXNPFEDSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760520496 PMJHBHVIZTVYRG-JKSUJKDBSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760526614 QSNMQDJDQWTVBM-HDICACEKSA-N 413.478 1.338 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1764479237 FWPVWGKDWXOUMZ-SQNIBIBYSA-N 406.531 1.605 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1765437136 IAMPSSWIYAQCEY-FQEVSTJZSA-N 407.522 1.970 30 10 HDEE CCOCc1nnc(N2CCCC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1766373651 RRVATSOZHIFXII-INIZCTEOSA-N 407.496 1.731 30 10 HDEE CO[C@@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CC1 1767995360 FESLRXZBKTWSEO-AOMKIAJQSA-N 424.505 1.855 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C)(C#N)CC3)n2CC(=O)NCc2ccco2)cn1 1769002158 XJOZHORYJZKNIA-UHFFFAOYSA-N 408.466 1.718 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C[C@H]1C 1769937476 UVDYUYPZXYSLKS-QGZVFWFLSA-N 421.505 1.934 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1)OC 1770778653 BHUNVTBTZSMGLI-SJLPKXTDSA-N 401.467 1.615 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(=O)NCC)cc1 1772564696 WSPOVOVAEYBSLH-KRWDZBQOSA-N 417.535 1.600 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772790342 QJRQHDYQYALEGM-UHFFFAOYSA-N 417.399 1.385 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1)[C@H]1CCN(C)C1=O 1849206318 WAYJFZJVBRPHEV-DLBZAZTESA-N 409.483 1.224 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)c1cn([C@H]3CCCN(C(=O)C(F)(F)F)C3)nn1)CC2 1849291221 KHZDNVOJXZEKSL-OLZOCXBDSA-N 410.400 1.770 30 10 HDEE COc1cccc(CN2C[C@@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)c1 1850693806 VIBKWUKDWQLVLE-HNNXBMFYSA-N 401.426 1.919 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2ncc(Cl)cn2)cc1 1851236141 OZXCWDVDVZMUKI-KRWDZBQOSA-N 402.838 1.938 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)Nc2c(C#N)cnn2CC(F)(F)F)C1 1852174165 XWJGBFHICYAJLY-NSHDSACASA-N 403.361 1.891 30 10 HDEE O=C1CC[C@H](C(=O)N2CSC[C@H]2C(=O)OCC#Cc2ccc(Cl)cc2F)N1 1852892264 XGGYDNBQGFOQCW-CABCVRRESA-N 410.854 1.554 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(O[C@@H]3CCOC3)nc2)CC1 1853185945 XWELIBRKNOZFPJ-LJQANCHMSA-N 423.473 1.495 30 10 HDEE Cc1cccc(N2CCN(CCCN(Cc3cnnn3C)C(=O)CC#N)C[C@H]2C)c1 1853563166 SCNXVRDFGOGBEB-LJQANCHMSA-N 409.538 1.967 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C)c(C#N)c3)C(=O)C2)ccc1F 1853950249 PXUPCPPTLJPANL-UHFFFAOYSA-N 415.446 1.988 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(-n4cnnn4)cc3)C(=O)C2)c(F)c1 1854300815 BLUNSHSOMWDBSH-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE Cc1cc(N2CCN([C@@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)ncn1 1854321084 WMYAVQHNTVMSLZ-LJQANCHMSA-N 404.474 1.610 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCn3cc(C)cn3)C3(CCCC3)C2=O)CC1=O 1854502693 IYYXMDLUCHOWBV-GOSISDBHSA-N 413.522 1.210 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CCC(=O)N1C 1854615232 UTDGJUGEASIEDB-HIFRSBDPSA-N 402.882 1.700 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(CC(F)(F)F)c3cccnc3)C2=O)CC1=O 1854993911 CEDQLHKZJQJYOX-UKRRQHHQSA-N 410.396 1.612 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855312563 TYZGRFLVLUSUCT-GOSISDBHSA-N 409.552 1.382 30 10 HDEE Cc1ncn(CC(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c(=O)c1C 1855472616 YKLJFJCTOUMJQU-MSOLQXFVSA-N 411.506 1.394 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2)CC1=O 1855742174 HMQDPXGWNJYZCO-UONOGXRCSA-N 400.401 1.150 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cccc(OC)c3)C2)CC1=O 1856042314 HOKDLRFUGGAPCB-INIZCTEOSA-N 421.519 1.095 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)CN3C(=O)COc4ccccc43)C2)CC1 1856147670 SJENRXJDCGZOSV-QGZVFWFLSA-N 410.474 1.413 30 10 HDEE CC1(C)Cc2ccccc2C(CN2CC[C@@H](N3CCN(C(=O)CC#N)C(=O)C3)C2)=N1 1856374586 VHGQRNXKPQDEHQ-GOSISDBHSA-N 407.518 1.469 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1856975299 LFNFMIHJUBMOFW-CVEARBPZSA-N 409.895 1.543 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)Cc3ccccc3F)C2=O)CC1 1857073190 NNIHWSDVOAKBGV-IBGZPJMESA-N 407.449 1.585 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1857394436 VYZJXMKWJHNUJI-IERDGZPVSA-N 400.454 1.439 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4nc(C)sc4C3)CCC2=O)CC1=O 1857436185 USKKQGBOHYDGKM-HZPDHXFCSA-N 416.547 1.609 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC3(CC(=O)C3)C2)CCN1CC(=O)c1ccc(C#N)cc1 1857494977 CQJRKICNQFYYLW-UHFFFAOYSA-N 407.470 1.950 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1 1858298134 GKSRIXJUSMJFRL-GOSISDBHSA-N 412.471 1.710 30 10 HDEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)NCCCN1CCOCC1 1871288625 YQAUWEDSBKDDDX-UHFFFAOYSA-N 410.883 1.867 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)NCCCN1CCOCC1 1871322195 KWSZORJLZIEVEK-UHFFFAOYSA-N 418.279 1.434 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCCN(C)C)n2CCOC 1873592080 NNEUDEQCOBGRHI-UHFFFAOYSA-N 400.527 1.938 30 10 HDEE N#Cc1cccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 1882810558 KFXKIFCVHGSRLB-QGZVFWFLSA-N 417.443 1.638 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1891128668 PKKBRZIVUOXXQM-UHFFFAOYSA-N 406.446 1.843 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)s1 2054404454 VFBHCHYTADEKNV-OAHLLOKOSA-N 421.500 1.936 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CNS(=O)(=O)CC2(C#N)CCCC2)CC1 2166326951 ONAQDGHFGAPLBE-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174779558 KOBHVKQHJYVFER-LSDHHAIUSA-N 400.545 1.949 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1C[C@H](CNC(=O)OC(C)(C)C)CC12CCOCC2 2174781086 BQYDBLHALYMPEK-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE Cn1nnc(Br)c1C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2178297055 MOAZVUWPYKECRO-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2181108424 SGLUVBIJPHRUSD-SFHVURJKSA-N 401.529 1.857 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3ccc(C#N)cc3)C2)C1 2182736838 ZHXGBDRHZLJNGQ-UHFFFAOYSA-N 411.505 1.966 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@](C)(CN)[C@H](C)S(C)(=O)=O 2194761242 MIUPKAZSFJKINT-HNAYVOBHSA-N 401.573 1.472 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@](C)(CN)CS(=O)(=O)C(C)(C)C)[C@H](C#N)C1 2194937538 KTNODLMDKHBVET-KDOFPFPSSA-N 402.561 1.362 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197514875 WCCFHEMYWQGKQH-AWEZNQCLSA-N 401.529 1.855 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)NCc1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2202297792 BHNLHOMNAGAMRK-LLVKDONJSA-N 403.331 1.337 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@@H]2COC[C@H]21 2247804230 IVIDURNDMKHLFN-OWCLPIDISA-N 420.315 1.762 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825803 JMXYQIWEQXWAND-KGLIPLIRSA-N 420.319 1.885 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247914652 OIDYOIAAOCPDQI-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CNC[C@H](C)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354825 RTUPMDCODYPKBK-JTQLQIEISA-N 408.782 1.929 30 10 HDEE C#C[C@]12C[C@H](CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2273227388 FHBWEHIUBVCSCZ-ABSDTBQOSA-N 420.487 1.272 30 10 HDEE CN(C[C@@H]1CCCS1(=O)=O)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282017850 POAJDPCYKOKPJH-NSHDSACASA-N 400.331 1.092 30 10 HDEE C[C@H]1CNC(=O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282315644 QNBXDTWDZVGSEJ-VIFPVBQESA-N 420.749 1.210 30 10 HDEE C[C@@H](CN1CCCC1)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334780 GMERYXVIACIEKG-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE COCCOCCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502338 JVPXPFVMJIJXNN-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE COCC(C)(C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502702 OWSDWMYZICPAHS-UHFFFAOYSA-N 404.363 1.629 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H]3[C@H](C2=O)C3(F)F)OC1(C)C 2282502732 PCKDSJDZMVQPRR-GZMMTYOYSA-N 405.253 1.460 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O 2282581657 KTYAAKNXOHUKRV-ZYHUDNBSSA-N 401.359 1.907 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC(C)(C)CN 2282834109 PGMSECOLNLPPML-UHFFFAOYSA-N 402.391 1.961 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCC[C@H]2O)OC1(C)C 2282835491 VMNRBQPMCQUCNN-DGCLKSJQSA-N 402.347 1.023 30 10 HDEE C[C@H](CCN(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843399 MVBVAXYPZMBZCE-GFCCVEGCSA-N 403.379 1.202 30 10 HDEE C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848668 QIUBGLRXLPQUDA-TZMCWYRMSA-N 400.375 1.760 30 10 HDEE C=C(CS(=O)(=O)N1CCSC[C@@H]1C(=O)OCC)B1OC(C)(C)C(C)(C)O1 2282882814 RBYQSSYDVYFKCJ-CYBMUJFWSA-N 405.347 1.484 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(CC(=O)O)CC3)cc2Cl)OC1(C)C 2284393440 KUFUSFSKNUFFSM-UHFFFAOYSA-N 421.733 1.986 30 10 HDEE CC[C@@H](C(=O)O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284396935 ZPWAVPPUKWGATL-LBPRGKRZSA-N 403.331 1.672 30 10 HDEE CCN(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284413754 NGMBXNOGWIBSML-UHFFFAOYSA-N 403.693 1.734 30 10 HDEE C#CCN(C(=O)[C@](C)(CC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2285438790 IOSUVRAJQRDQOE-BEFAXECRSA-N 400.541 1.965 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc(OC)c1OC 2323437891 OBQRNHXQKAVRJK-UHFFFAOYSA-N 407.404 1.872 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336232365 PLCOXDRTJOEKLO-HUUCEWRRSA-N 402.582 1.801 30 10 HDEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(F)c1C#CCO 2352957023 DCPRVKRDQNRSTI-UHFFFAOYSA-N 416.430 1.516 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCCS(=O)(=O)CC2)OC1(C)C 2362578197 IIGMYKIJXLNXFB-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1 2365203988 LIDKAXIMGYSFED-OWCLPIDISA-N 402.557 1.578 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC12CN(C(=O)OC(C)(C)C)C2 2365208458 CKTWJLREPPGJFI-KUHUBIRLSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(CNC(=O)OC(C)(C)C)CCCO1 2367794461 ZZDRFFKHCABNIG-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(N(C)C(=O)OC(C)(C)C)COC1 2367795343 LVYGDJWNYQCBKS-HNNXBMFYSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC(F)(F)C[C@H]2CC#N)(S(C)(=O)=O)C1 2379885005 CDQGBSSHAXYPHA-LLVKDONJSA-N 407.439 1.170 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccco2)C1 256033851 SCJLZRNGFJCZQJ-BZPMIXESSA-N 411.418 1.778 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2Br)CC1 324821182 YAHQJGKODDKVRF-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H](C)n2cnc(C#N)n2)s1 409672100 YMKNGJPYECLSOX-GFCCVEGCSA-N 410.525 1.162 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)N(CC)C[C@H](C)C#N)C1 410161243 JAJZPZKNEZPQEN-KGLIPLIRSA-N 412.478 1.836 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2 447684419 ZHOPQUKWEIVTKX-UHFFFAOYSA-N 408.506 1.828 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CSCN2C(=O)CC)c(C#N)cn1CCOC 463417952 QEELQUJDVZGBAG-ZDUSSCGKSA-N 408.480 1.433 30 10 HDEE N#CCCN(C(=O)CCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O)c1ccccc1 474911451 JIWABXDHEUXCPX-LJQANCHMSA-N 412.490 1.610 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cc(C#N)ccc1Cl 476415860 DFZCHGJINVMCLW-QHSBEEBCSA-N 412.851 1.325 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)N(CCC#N)CCN3CCOCC3)CC2=O)cc1 478240792 XHXMRQIFMFFZMS-QGZVFWFLSA-N 416.547 1.836 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 481448960 NZIRKBYFWQTBLE-PBHICJAKSA-N 415.519 1.676 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N=c1nc(-c2ccsc2)[nH]s1 481797828 RSMUIDIWRFZABV-JTQLQIEISA-N 419.513 1.866 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2c2ncnc3sccc23)CC1 484877421 KPQCQWYQKCXTDB-INIZCTEOSA-N 414.535 1.107 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 508885160 MXUILMUGVRXLKO-IBGZPJMESA-N 400.508 1.562 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(c4ncccn4)C3)CC2)c(F)c1 510511387 VAGMNEINCAYIKJ-KRWDZBQOSA-N 409.469 1.988 30 10 HDEE CCN(Cc1cn(C)nn1)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 543794830 RGYCLOMSJBVJJU-UHFFFAOYSA-N 416.507 1.136 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)CNC(=O)c2cc3c(s2)CCCC3)CC1 553357633 QYYTTZXLGOKUQE-UHFFFAOYSA-N 409.515 1.972 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCC(c3nc(O)n[nH]3)CC2)ccc1C(F)(F)F 563899931 BPGWLJAVSJYPPP-UHFFFAOYSA-N 401.370 1.969 30 10 HDEE CN1CCN([C@@H](CNCCS(=O)(=O)c2cccc(C#N)c2)c2cccs2)CC1 565433215 TVWVZTAAUMTCRP-IBGZPJMESA-N 418.588 1.972 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H]2CCCO2)CC1 567630586 DPZNEABOKOEMJF-GOSISDBHSA-N 405.466 1.840 30 10 HDEE CC(C)n1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 580742571 DUHDTTORMIWSNW-UHFFFAOYSA-N 416.507 1.552 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nc(-c3cccc(Cl)c3)no2)CC1 604661417 VTUAQSLXILEIJG-UHFFFAOYSA-N 418.885 1.519 30 10 HDEE CCCc1c(NC(=O)C(=O)N[C@@H]2CCN(CC)C2=O)cnn1-c1cccc(C#N)c1 619843692 PFJLVHAJBWGQDT-MRXNPFEDSA-N 408.462 1.372 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H]4CN(C)C[C@H]43)nnc12 646911593 BXKHOSSIBCNZQA-RHSMWYFYSA-N 424.530 1.485 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669804702 SCIGAUGCCTVRHJ-XLIONFOSSA-N 409.538 1.905 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671261 FFFPURWWNBAEGV-UHFFFAOYSA-N 409.515 1.241 30 10 HDEE C#CCN(CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCS(=O)(=O)C1 731213612 HTDLZURSTVODKK-CYBMUJFWSA-N 419.366 1.591 30 10 HDEE N#C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)CCN1C1CC1 732664301 MVRROMNUHPNFSO-LJQANCHMSA-N 412.515 1.707 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CCN1C1CC1 732700366 RFQQYYJDZAABER-ROUUACIJSA-N 418.519 1.843 30 10 HDEE Cc1c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1S(=O)(=O)NC1CC1 741073190 WSAVMTNWVVGOMK-INIZCTEOSA-N 403.508 1.640 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCC(c3nc(C)no3)CC2)c1 753309009 JPJCAGXLVYMQHC-UHFFFAOYSA-N 402.476 1.746 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)COc4ccc(Cl)cc43)CC2)n1 760774637 CWWLPHGZRYFOLO-UHFFFAOYSA-N 411.849 1.681 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n(-c2cccc(Cl)c2)n1 761963085 SRHSDYSZCFORIB-KRWDZBQOSA-N 412.881 1.971 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCN1C1CC1 765186547 WDJYZROBMBMBOV-NSHDSACASA-N 415.269 1.718 30 10 HDEE C#CCC(C)(C)C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC)c1=O 767664664 JEDMSGAMPPGVTB-UHFFFAOYSA-N 411.458 1.436 30 10 HDEE C#CCN(C(=O)NCCc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 774206953 HPAKVIOTDAXNSJ-CQSZACIVSA-N 410.492 1.087 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NS(=O)(=O)c1cccc(F)c1F 774999733 KESGWGJGRVRXEG-UHFFFAOYSA-N 419.413 1.934 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1)[C@@H]1CCCO1 775338072 ARCCUGVWHSWCEH-HKUYNNGSSA-N 405.520 1.448 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780994233 SIDAYOMTQRNGIX-OAQYLSRUSA-N 408.458 1.383 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)O)cc1Br 788443559 YHNCDHRUXIADLA-CQSZACIVSA-N 417.281 1.869 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(Cc2ccn(C)n2)C1=O 790760438 WRVKHTHSPTVENS-OAHLLOKOSA-N 420.564 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 796729903 YBCTVOMUUWEMAO-MRXNPFEDSA-N 423.491 1.530 30 10 HDEE C#CCC[C@@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 799081999 SNYFHYGEWOQEMA-GXTWGEPZSA-N 402.310 1.749 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802409018 MXMKOWRBGNGRLL-GOSISDBHSA-N 407.478 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161809 CDVSYIRCAHEMHL-HNNXBMFYSA-N 404.442 1.829 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)O[C@@]3(CCCc4ccccc43)C2=O)nc1 809208680 CIUYQJXABMCBHS-HXUWFJFHSA-N 411.439 1.938 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)C1(Cc2ccc(F)cc2)CCOCC1 815555684 FSDQEGDREUFURZ-HNENSFHCSA-N 401.438 1.808 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)c3cc(C#N)ccc3Cl)C2)n1 856587152 LZQREFMYLQOVRC-KRWDZBQOSA-N 410.883 1.915 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1134645645 QUAWSTTXWRZPDQ-ABSDTBQOSA-N 417.487 1.184 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2nc3cc(OC)c(OC)cc3n(C)c2=O)c1 1136326509 GIXPTKQLCYRXEQ-UHFFFAOYSA-N 420.425 1.301 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C#CCO)c1 1137101507 NDJDPIOBFMPLHT-SFHVURJKSA-N 416.474 1.655 30 10 HDEE C#C[C@H]1COCCN1C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1142008203 SEJMYIMGAGNQFZ-AVRDEDQJSA-N 417.465 1.361 30 10 HDEE C[C@H](CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1nn[nH]n1 1153676087 KQCOOXBOQKTURM-QWHDWNGZSA-N 403.487 1.548 30 10 HDEE C[C@@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H](C(N)=O)C1 1154942337 LPEZEZFHKOUVJJ-JYPZYLNESA-N 404.511 1.886 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(C3(C)OCCO3)cc2)c1 1170799295 JXZYVEXYSQTFAG-UHFFFAOYSA-N 414.483 1.748 30 10 HDEE C=CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H](C)COC 1171917470 XIRFILDYXZTMIB-INIZCTEOSA-N 413.478 1.978 30 10 HDEE C[C@@H](CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)NS(=O)(=O)c1cccnc1Cl 1175022615 ZFVLSRYHNRXXEF-LRDDRELGSA-N 418.906 1.947 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)c1 1179355087 CTNPQQJKCGFGOS-UHFFFAOYSA-N 409.508 1.938 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@H](c3nccc(C(F)(F)F)n3)C2)CC1 1198251700 KLALRALPMUQDJM-JKSUJKDBSA-N 424.471 1.977 30 10 HDEE C#CCN(C(=O)Nc1nnc(-c2ccccc2OC)s1)[C@@H]1CCS(=O)(=O)C1 1205462422 KSWUPBVULWNLQR-GFCCVEGCSA-N 406.489 1.868 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3c(F)cc(C#N)cc3F)c2)NC(=O)NC1=O 1252867984 BCULMVBSJUJSIH-SFHVURJKSA-N 420.397 1.370 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)c2ccc3c(c2)C(=O)NCCO3)cc(OC)c1OC 1267478244 DGDGJRRYTMAIAE-OAHLLOKOSA-N 411.414 1.829 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1ccc(C(N)=O)nc1 1286364600 GBPFIXPBRZKREW-UHFFFAOYSA-N 412.457 1.947 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1286389699 OUPGWIRSHYRDMI-HOTGVXAUSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1Cc1nnc2n1CCC2 1286410697 HLPLSXPXQHPANJ-UHFFFAOYSA-N 401.474 1.536 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1286469778 ZFUOAXUPAIGYGM-MRXNPFEDSA-N 417.897 1.875 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1286606921 GWWDZJURXLKXPH-UHFFFAOYSA-N 422.555 1.632 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286614367 QHTYAKYVPRVILA-FQEVSTJZSA-N 407.515 1.238 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)[C@H](C)C1 1286784084 VXKXQAWKYGWRDR-HUUCEWRRSA-N 407.482 1.315 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286792607 CZAPNUKDESXGJL-TWOQFEAHSA-N 407.515 1.235 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN2CCC(CO)CC2)c1 1291627564 LYZJQCFCBPLIHP-DYTRJAOYSA-N 408.524 1.142 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)/C=C/C(=O)NCc2ccc(OC)cc2)c1 1291748595 JHQBGYZZBFCIOU-OUKQBFOZSA-N 405.454 1.946 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnc(OC2CCOCC2)c(Cl)c1 1292289624 CQZALQSNHJRSPD-UHFFFAOYSA-N 422.913 1.981 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3c[nH]nc3Br)C2=O)cc1 1299956057 MDFNWXAHYAJIPG-LLVKDONJSA-N 417.223 1.888 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1300492848 PCDDVLNYGIKRMR-UONOGXRCSA-N 400.451 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C2CC2)CC1 1300553789 SIBZLFTWOSOMAO-UHFFFAOYSA-N 408.550 1.851 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O)C1CSC1 1300610203 LPRHKAYVFGCKFA-HXUWFJFHSA-N 401.488 1.348 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1302836479 KTOKLUFYBLLTNV-UONOGXRCSA-N 415.918 1.512 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1=O 1311243898 NFPCFZJKMHBESS-GOSISDBHSA-N 416.482 1.597 30 10 HDEE C#CC[C@@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312117103 JLCKGQMZRVOVNS-PXNSSMCTSA-N 416.499 1.872 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 1313096542 BWOAGSGOTOEOTE-LJQANCHMSA-N 400.523 1.943 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@](C)=O)cc1 1314403063 FGWGDRRIYSBPAE-UULLZXFKSA-N 403.508 1.470 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c1 1357824209 XSHVHMSAZSWLME-UHFFFAOYSA-N 423.469 1.882 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358962020 IXLPMQXAUDNXJG-MSOLQXFVSA-N 424.567 1.963 30 10 HDEE C#CCN(c1nnc(COCC)n1CCN1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358967712 QOKWSXIBGHQXJV-QZTJIDSGSA-N 423.583 1.173 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@](C)(O)c2ccccc2)n1 1359027656 QMIGNTPZZVGWST-JOCHJYFZSA-N 408.506 1.977 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C)C1=O 1359063457 TWWBSGKUTRKCPY-LEWJYISDSA-N 400.527 1.667 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C(N)=O)nc1 1359111464 BWZYVXMJUXBUQH-UHFFFAOYSA-N 423.477 1.950 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359131212 LQKAUPBNPKOIFV-CABCVRRESA-N 410.544 1.529 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1359133618 WHBJLKJGMFWQFH-MRXNPFEDSA-N 413.544 1.192 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C)C1 1359324996 VZXWTTLPNYQNLO-AWEZNQCLSA-N 418.523 1.139 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C#N)CC1 1359334055 RPAIWSRORFVXCM-UHFFFAOYSA-N 400.508 1.605 30 10 HDEE C[C@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)S(=O)(=O)C1CCOCC1 1437241386 FWDGXWXLBDODJQ-MRXNPFEDSA-N 419.547 1.621 30 10 HDEE C#CC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)CCCC1 1438849476 OMFAHSVRMDUUDW-UHFFFAOYSA-N 422.503 1.401 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)COc1cccc(Br)c1C#N 1439205153 MJLVJKRLUOFVGK-SMDDNHRTSA-N 411.252 1.926 30 10 HDEE C=CCN(C)CCN(CC)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1448872668 CJJJMDUSPVAPAB-UHFFFAOYSA-N 415.581 1.278 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](c2ccccc2)[C@](F)(CO)C1)c1cc[nH]n1 1450437119 POHCRKNRXHMVIY-FOIQADDNSA-N 418.425 1.020 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3c(F)cccc3F)CC2)C1=O 1451345579 YCXNVSGTDPEAAX-UHFFFAOYSA-N 405.401 1.723 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)CC2=O)cn1 1454672709 ACNGGPGABTXUPM-JTSKRJEESA-N 422.489 1.361 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CCC[C@H]12 1455493008 PYEVXKACPIXASA-FOVKVLHESA-N 418.494 1.951 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H]1CCn1ccnn1 1457142006 VUQXAAOHZOFXIC-OAHLLOKOSA-N 416.507 1.178 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1463852350 PABPRFMUFVRBSZ-RDJZCZTQSA-N 417.510 1.466 30 10 HDEE C#CCSCCNC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1468940597 VTZCDCPENMGOTM-JKSUJKDBSA-N 407.540 1.789 30 10 HDEE C=C(C)COCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1469328527 CUUTXSOWRRXQSP-KRWDZBQOSA-N 424.542 1.832 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 1471335673 GTXZSOHLANWYEN-GOSISDBHSA-N 404.536 1.190 30 10 HDEE CCC(CC)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1496661540 DETFPYOBJKINJS-ULQDDVLXSA-N 403.531 1.324 30 10 HDEE CCc1nnc(N2CC[C@@H](Oc3ccccn3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1498993470 PLBNCRLFNLCQGO-FZFLATATSA-N 423.477 1.420 30 10 HDEE CCN(CC(C)C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1501709620 YVJXKSVYJDAHPQ-HTXNQAPBSA-N 410.482 1.744 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1502676183 FOYKIJSFIFWWQZ-SFTDATJTSA-N 418.542 1.127 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCN(CC)CC1 1507603914 FZKTUXNSQUASLU-JOCHJYFZSA-N 418.586 1.416 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507633811 IKHOUOFTXXBVQV-OALUTQOASA-N 415.563 1.770 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H]2COCCO2)CC1 1507717437 CUNHLFUEDPCXGT-GOSISDBHSA-N 401.898 1.769 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2cccc(C)c2)CC1 1507726752 LMVUFRTVOAEMJU-UHFFFAOYSA-N 422.533 1.543 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507727082 GRIGZNHEOXTCJK-OALUTQOASA-N 415.563 1.737 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1507960972 WJAROVJOVNPIOZ-KRWDZBQOSA-N 413.526 1.917 30 10 HDEE C=CCSCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCNC(=O)C1 1508157164 BVLVFHYHAJNKCF-UHFFFAOYSA-N 401.492 1.572 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1508698086 HGGAYORBALQOGD-JMGYQRAPSA-N 406.556 1.906 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCCCO 1510202215 XQAJFIYHDVTZSB-CRAIPNDOSA-N 412.560 1.571 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1513167060 DIKYZGKDZDTCOX-LIRRHRJNSA-N 405.478 1.261 30 10 HDEE CO[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1517759761 GERRGGKMHDVHBY-OAHLLOKOSA-N 405.466 1.363 30 10 HDEE N#Cc1ccc(C2(C(=O)NCCS(=O)(=O)N3CCSCC3)CCCC2)cc1 1521020035 VVLNRRXSWCBFKU-UHFFFAOYSA-N 407.561 1.865 30 10 HDEE CCOC(=O)N1CSC[C@@H]1C(=O)Nc1sc2c(c1C#N)CCN(C(C)=O)C2 1533469524 BZLWLYKLCUZRIG-CYBMUJFWSA-N 408.505 1.994 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)Nc3ccn(CCN4CCNC4=O)n3)C2)c(F)c1 1535818752 DCDBUQYBWJSXNZ-OAHLLOKOSA-N 411.441 1.384 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1536901111 RADXKEYCAKYFAF-DZKIICNBSA-N 404.463 1.773 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1539361921 JHFGBQZXOXFLSI-LJQANCHMSA-N 408.506 1.574 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2nncn2-c2ccccc2)CC1 1539452810 ZHIHDHZRAQEQOW-UHFFFAOYSA-N 404.522 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1539552177 JKQJROMHHJDQGM-VQIMIIECSA-N 402.524 1.638 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1n[nH]c(C)n1 1540071955 IUQZJDCPNPAJRW-UHFFFAOYSA-N 408.514 1.744 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1540169731 HZWXHFUBJSPLMN-HNNXBMFYSA-N 409.556 1.521 30 10 HDEE N#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1ccc(Br)cc1 1540672567 UUFKEWTWMNOGKM-GFCCVEGCSA-N 418.255 1.048 30 10 HDEE Cn1cnnc1[C@H]1CCCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1540836686 GBHIYUMKSHSJGY-RDJZCZTQSA-N 421.461 1.298 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](C)(C(=O)NC)C1 1540924125 PAGBOJFDWXXJJR-TWOQFEAHSA-N 423.583 1.884 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1541800647 DUNFAUMTJUVBHR-HUUCEWRRSA-N 403.512 1.502 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)cc(Br)c2N)CC1 1542894648 GQCLOANHJQRSHL-UHFFFAOYSA-N 407.312 1.237 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](OCCC)c2ccc(F)cc2C)CC1 1542894983 VMSUYXNLHSGZCT-OAQYLSRUSA-N 403.498 1.886 30 10 HDEE CNC(=O)[C@@H]1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1543358491 BJHWOFLHRBFWAZ-KHQOZGCUSA-N 404.511 1.758 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1547311615 BSGPKNWISHGWKW-OAQYLSRUSA-N 407.478 1.011 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@](C)(O)C1CC1 1555663320 KMMSSSQYQLZCFO-YWMUFLPLSA-N 418.542 1.340 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cc1 1557723767 YIISVGNCZFOKOX-WSTZPKSXSA-N 413.547 1.933 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C(=O)OC)C[C@H]2[C@H]2CCCO2)c1 1560165246 GGQIEDVHFAFZBZ-YTQUADARSA-N 413.474 1.749 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1564269698 PKWGBHNYHXASRR-OALUTQOASA-N 401.463 1.537 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC[C@@H]3CCN3C3CCOCC3)C2=O)cc1 1564547322 LEACPMFIDLAYJZ-PMACEKPBSA-N 411.506 1.606 30 10 HDEE CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1565004966 HCKWTEFIYAXLQI-UXHICEINSA-N 402.539 1.980 30 10 HDEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1587809138 ZQOAOYZLFCNIPF-ZWKOTPCHSA-N 423.583 1.836 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1587842710 UQWIGZLEIJMWOM-MRXNPFEDSA-N 416.493 1.469 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccc(F)cn1 1587969889 JTRFCYAHBNWNLL-UHFFFAOYSA-N 413.482 1.890 30 10 HDEE C#CCCN(CCOC)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1588074982 RFCPSXCQSWZWNA-LJQANCHMSA-N 409.845 1.744 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC)N1CCCC1 1588138515 DYQVKSNZIRDGAU-QZTJIDSGSA-N 403.552 1.127 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOC(C)C 1588629068 WDNXHXXFTYKKPP-UHFFFAOYSA-N 424.505 1.703 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCCN1CCC(O)CC1 1588638245 QJINGBVZFGFNAR-IBGZPJMESA-N 405.543 1.453 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1588813766 ZYMQNHCBOWKOIA-NJDAHSKKSA-N 414.598 1.905 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCC=CO2)CC1 1588884921 OQTHEMYYVLSYEF-KRWDZBQOSA-N 414.510 1.075 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1588969243 YYFQCBRLDBIKGG-GOSISDBHSA-N 416.595 1.945 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1588969261 ZDGAMXUAMQFIIT-QUCCMNQESA-N 417.554 1.842 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)cc1 1596331000 CJBLPEJTVNWPGJ-SFHVURJKSA-N 407.478 1.976 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCOC1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1624176454 BHVKTOCTASWLDV-GDBMZVCRSA-N 404.467 1.546 30 10 HDEE Cn1ccnc1[C@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1624587492 DYMVLYSTLWCIJX-DOTOQJQBSA-N 406.446 1.513 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1625386617 DENVQEFRSCCDBL-SJORKVTESA-N 404.463 1.514 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C)c1cc[nH]n1 1625652284 YCUVUVGFHCMBBE-LIRRHRJNSA-N 401.467 1.501 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1628800040 SDAGFXYPYWRSNY-HKUYNNGSSA-N 423.535 1.239 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCC(c3ccc(C#N)cn3)CC2)c1=O 1629976605 QAYPTJPRSHEMIC-UHFFFAOYSA-N 417.469 1.856 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NOc3cccc(C#N)c3)CC2)cc1 1631983451 VJZWBTXTMXVIDK-UHFFFAOYSA-N 410.455 1.941 30 10 HDEE CC(C)n1cc(CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)c(O)nc1=O 1632996613 BZBCTAPUGOTYMF-UHFFFAOYSA-N 418.494 1.797 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1633140470 CWZWRTAPFKEHJQ-GOSISDBHSA-N 402.516 1.977 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3nnc(N)o3)C2)ccc1F 1634172502 WMSXNGBLSBJQKQ-GFCCVEGCSA-N 409.443 1.275 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1CCNC(=O)OC(C)(C)C 1634814355 QGSQGDDMMBJPAG-RHDHSSKXSA-N 420.510 1.912 30 10 HDEE C[C@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCN(C2CC2)C1 1637865498 LFJNQXDANCGGIJ-OAHLLOKOSA-N 404.536 1.448 30 10 HDEE COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1638171175 CKEZDPLIVRTXQM-KKSFZXQISA-N 417.462 1.433 30 10 HDEE C#CCn1cc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)cn1 1640012757 KOOVRYBAGCEWDQ-FAAHXZRKSA-N 408.380 1.118 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1640636082 UCTXCAVWWIOAHH-QFIPXVFZSA-N 417.506 1.832 30 10 HDEE CCN(CC(C)C)c1nc(CC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cs1 1640637185 UPIBQTBWMNSYFL-UHFFFAOYSA-N 416.507 1.385 30 10 HDEE N#CCCN(C(=O)CCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1)c1ccccc1 1641848653 NXJCKWWFZHOLME-UHFFFAOYSA-N 422.489 1.858 30 10 HDEE COc1cc(OCCN(C)C)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1642801013 CHOIZRKLOZRLOD-FMQUCBEESA-N 402.451 1.491 30 10 HDEE CCOC[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1643301876 NOZPQKGWKTWHQK-DLBZAZTESA-N 400.435 1.027 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)c1 1645481122 JMSUYKQPVHAZRC-GOSISDBHSA-N 418.446 1.251 30 10 HDEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648029102 XSSXYRFWJPSEAV-GOSISDBHSA-N 423.473 1.357 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ncc(-c4ccccc4F)o3)C2)c(=O)nc1O 1648790622 OOFFTXCUFHHYDL-UHFFFAOYSA-N 409.377 1.631 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1650951403 CBARZYIMZZSLLH-VQFGERMISA-N 409.486 1.167 30 10 HDEE Cn1nccc1C[C@@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1655919777 YHRCCAMHNMMLTN-FCHUYYIVSA-N 424.524 1.975 30 10 HDEE C[C@@H](CCC#N)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1657400666 DMKYWXRXXJPEPI-HNNXBMFYSA-N 400.545 1.493 30 10 HDEE C=C(C)CS(=O)(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1657497508 DXDQJONHOQNQMZ-HNNXBMFYSA-N 401.529 1.436 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(-c3nccc(C)n3)c2)CC1 1659245354 DSNQWMMERZRWFQ-UHFFFAOYSA-N 414.491 1.069 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)C[C@@H]3COc4ccccc4O3)CC2)nc1 1660949832 FLCAARRXTYLBNR-INIZCTEOSA-N 400.460 1.245 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C(C)C)nc3ccccn23)CC1 1664839300 JCZRETQABHGZSO-UHFFFAOYSA-N 404.496 1.075 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1666339435 BOEHLIWACFAPAY-UHFFFAOYSA-N 405.520 1.062 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2CC2CCOCC2)c1 1672011034 SOEMRCPSFIYYGH-GOSISDBHSA-N 408.520 1.809 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)C1 1673912947 KYSAMAQQEIEIFB-DLBZAZTESA-N 404.486 1.136 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1 1676313213 CRMCCWPVSSFBIE-KRWDZBQOSA-N 412.943 1.832 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)s1 1679274920 XLKLUDGBQHJLFT-INIZCTEOSA-N 422.532 1.582 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1689976621 RCLRZNDSGQIGEQ-VWKPWSFCSA-N 419.526 1.959 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689980355 QDYBAMYKAFXTNB-GOEBONIOSA-N 406.483 1.820 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@H]1CCS(=O)(=O)C1 1689980890 ZAFOMRZFMNJJDF-QFBILLFUSA-N 406.508 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCn1cc(Br)cn1 1690022455 FVLXBNHZBNQEOQ-UHFFFAOYSA-N 424.306 1.996 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCC[C@@H](C(N)=O)C1 1690160152 ZDAXKHXRWRQMAC-OAHLLOKOSA-N 414.491 1.921 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1690312844 DPNXHTOIFHWCHB-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@H]1C 1690497394 OXOVPCAKUJYOEL-RRFJBIMHSA-N 417.601 1.811 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1690509739 GWIHRKRBHPTLBC-PKOBYXMFSA-N 410.522 1.914 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccco2)C1 1690699869 KHSVJJIVTGXHAP-JKSUJKDBSA-N 401.467 1.586 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)NC(C)C)C1 1690714618 PZEIUCAZVAJJQS-JKSUJKDBSA-N 413.544 1.239 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1690733764 MMYCIEKYODHHNO-CQSZACIVSA-N 415.523 1.559 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1695867599 HLQNMBBOIUBZTK-OAHLLOKOSA-N 410.526 1.148 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccsc2)CCOC1 1696084571 CAMFFRBUYRARQE-VQIMIIECSA-N 403.508 1.963 30 10 HDEE COc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1OC 1697535318 CCOFVYOFLRLJBR-MRXNPFEDSA-N 409.450 1.473 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CN(C2CC2)C1=O 1698138647 WJIAHSFDYVDGEU-BTYIYWSLSA-N 416.526 1.753 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1698284387 DJGNJOZBNHRSPV-ADKRDUOOSA-N 415.519 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1705490909 TVJVJBMEIDULHC-OAHLLOKOSA-N 421.505 1.565 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1705533296 KGCADIMLQJIPBL-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C(=O)NCCOC)CC1 1705533297 KGCADIMLQJIPBL-SFHVURJKSA-N 403.527 1.912 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705564949 FZCJNTYUBGATKS-KRWDZBQOSA-N 415.519 1.624 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCN(CC)C1 1705584468 LKWFUFKUPFWBSY-IBGZPJMESA-N 401.518 1.931 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@H](C)N1CCOCC1 1705629870 YHSHTBAGBLFPBD-SFHVURJKSA-N 415.513 1.815 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCC(=O)NC 1705695762 ZCTZQHRTGUBBBB-AEFFLSMTSA-N 418.542 1.458 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1705926719 JPBCSLKCCNZQQA-SJLPKXTDSA-N 417.535 1.480 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccnc1 1706877525 BNFAXODVDVHANI-DNVCBOLYSA-N 417.539 1.656 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC=CCC1 1710893671 PQQUSBJZXILCBU-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1711264042 DRFTZUYSTIKBLA-RDTXWAMCSA-N 421.502 1.007 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1712586337 USMGMGSKBVPZOV-IBGZPJMESA-N 422.493 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCC(OC)CC1 1712647600 DZSZMIWEMQXOOU-NQEVIQBJSA-N 419.526 1.936 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCO[C@H]1C(C)C 1722374416 YYDQETMMCUTNPP-KSZLIROESA-N 421.567 1.412 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1722382039 DKONXLGYPVDCQT-HXUWFJFHSA-N 420.517 1.525 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@@H](C)C1 1722416981 SVCHGDKIYZDZEN-SFHVURJKSA-N 402.543 1.361 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(O)cc1 1722420204 DZPUVBPDDPVXNN-OAQYLSRUSA-N 400.479 1.770 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCC[C@H]1C 1722428428 WEDAFCRLDCTBIH-OEMYIYORSA-N 406.527 1.639 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1722437971 XQFUVMQKSGNIPD-LLGFUMIMSA-N 400.527 1.332 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCN(C)CCOC)CC1 1722439125 PMOLPURGPMITPY-UHFFFAOYSA-N 414.529 1.341 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1722452413 FYVHANWJZYWZBC-UHFFFAOYSA-N 408.528 1.061 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@]2(CCOC2)C1 1722461524 CZQBUJRWJZRCHD-IBGZPJMESA-N 419.576 1.996 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1722532100 BSXOVUSKFOSIGL-IAGOWNOFSA-N 418.542 1.563 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCc2ccccc21 1722631767 WIFQGBYQTKQXLI-HOTGVXAUSA-N 418.567 1.962 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCS(=O)(=O)C1 1722641847 FVVQDLMZVSDUBF-OAHLLOKOSA-N 400.508 1.574 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCc2nc(C)no2)C1 1722709911 ZEJWFUKZOUUXOY-MRXNPFEDSA-N 415.498 1.620 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC(C)(C)OC[C@@H]1C 1722727335 KMHIYVYBIOSQRS-AWEZNQCLSA-N 406.512 1.340 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(CS(C)(=O)=O)CC1 1726404558 QVWNQBATXJXOQO-UHFFFAOYSA-N 415.523 1.005 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N(C)C)C1 1729749132 CILSTIYSULDFMG-QGZVFWFLSA-N 410.478 1.684 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730894666 FKKYVIYAERQBRJ-KIJUOZEOSA-N 418.498 1.170 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccc(C)cc2n1 1740553434 SBDDMACJXGYNPQ-HOTGVXAUSA-N 412.519 1.643 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](COC)C1 1740738080 CWCMJZDQSHBMMR-VXGBXAGGSA-N 422.349 1.270 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)C1 1740744877 HFWSTPFOSWQWFL-JTQLQIEISA-N 411.272 1.934 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C(N)=O)CCCC2)C1 1740970166 FXQSPJCLAUNJIL-OAHLLOKOSA-N 404.515 1.243 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](C(=O)NC)C1 1740994463 OJZLYEYWNMSCBV-QGZVFWFLSA-N 423.583 1.574 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1741725570 SWVIOZKZDVGBKY-ZLGUVYLKSA-N 419.526 1.599 30 10 HDEE CCCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1745794947 UVCRFKIADQXJEF-UHFFFAOYSA-N 418.461 1.401 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1748639357 FZHMZSQZLJWPQM-YJTLQXIOSA-N 411.572 1.942 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1748662400 WBLFBSHMZOWKNG-OAHLLOKOSA-N 413.507 1.138 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OCCO)c(OC)c1 1748671285 IGHJPMSTNCCKPL-DOTOQJQBSA-N 400.479 1.668 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1748751521 IHFCJZBOXVNQPW-QGZVFWFLSA-N 415.519 1.329 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1748816060 WLEKAZBHOAZZGE-SFHVURJKSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1748817346 JMOAALWZWZDPTC-CABCVRRESA-N 421.548 1.304 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCc1c[nH]nc1C 1748843056 ZCCDUHLTBJEJTR-UHFFFAOYSA-N 405.462 1.743 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCN1C1CC1 1748901421 XFKLKJRPYJAYMW-HXUWFJFHSA-N 408.550 1.880 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@](C)(O)c1ccccc1 1748929511 LGPHNTHOOLIAOE-UTKZUKDTSA-N 416.547 1.938 30 10 HDEE C=CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1749505866 BMTNSHFLCJOOOP-QGZVFWFLSA-N 403.575 1.597 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749663946 UNPICGKDJQNDHX-ZDUSSCGKSA-N 411.432 1.648 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CN(CC)CC)C1 1749669022 BROIZQDGQHKHRS-MSOLQXFVSA-N 404.559 1.642 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ncnc3ccsc23)CC1 1749672493 VYVBBIBVFOFDMS-UHFFFAOYSA-N 412.523 1.474 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCSCC1 1749952899 GGMSETGOSPLWEL-QAPCUYQASA-N 412.535 1.493 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CCO1 1750386022 FYPMBCKRZPUATO-GJZGRUSLSA-N 414.432 1.537 30 10 HDEE CC(C)NC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1750983321 FVTXIVQRHYJJCR-KRWDZBQOSA-N 422.493 1.160 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1-c1ccccc1 1760191802 AAGUDPHGXXEDJV-UHFFFAOYSA-N 414.473 1.216 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CN(CC(C)C)CCO1 1760240509 TVOXVFIUFKVKRU-UFYCRDLUSA-N 419.570 1.818 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1[C@@H]1C[C@H]1C 1760247905 VEAYQBGWYUPOQI-GDBMZVCRSA-N 402.524 1.905 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCc1cccc(C(N)=O)c1 1760248183 CXIUWTQHHLXHAQ-LJQANCHMSA-N 411.506 1.947 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@H]1C(C)C 1760248683 QBOVEBDIIWGUHR-LNLFQRSKSA-N 403.527 1.766 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCO2)CC1 1760269399 HHIKEBXXMBJJSI-ROUUACIJSA-N 401.511 1.665 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)CNC(=O)C2 1760521560 XGQZRBGXCOTAGV-UHFFFAOYSA-N 409.494 1.057 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C(N)=O)nc2)C1 1760540296 FUEWUNSUKHFSAE-MRXNPFEDSA-N 405.462 1.664 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1760696877 UYOSGMYBUIULMV-OWCLPIDISA-N 417.539 1.550 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1765440478 FYPPPZVWYNOQOM-IIDMSEBBSA-N 410.519 1.106 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1767656967 VPGCKEDLMLNUBC-VGSWGCGISA-N 421.505 1.257 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1769267792 UPTJTRUCXDXFOT-DZGCQCFKSA-N 409.487 1.929 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCn2cnnn2)CCO1 1770750927 AGBNUEQSCJDUPS-GOSISDBHSA-N 407.482 1.259 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCS(C)(=O)=O 1771201335 YKDZWHGCRBECFJ-CRAIPNDOSA-N 413.544 1.567 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 1849668936 WQBISJUTOKHUCR-CQSZACIVSA-N 417.466 1.108 30 10 HDEE Cn1cc(C#CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cn1 1849994985 WBCGNKMEIVRJRK-MRXNPFEDSA-N 404.467 1.128 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCN2CCOCC2)c1C 1850070007 MKRCLSCJRKKSKS-IBGZPJMESA-N 421.563 1.039 30 10 HDEE CCCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1nc(C)c(C(C)=O)cc1C#N 1852162996 DZVYOGIIHAQEGU-UHFFFAOYSA-N 406.508 1.879 30 10 HDEE CNC(=O)c1cc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)ccn1 1852173361 OJVMTTITITVGQB-IBGZPJMESA-N 424.457 1.249 30 10 HDEE CCCN(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1nc(C)c(C(C)=O)cc1C#N 1852595796 LNWBKHKVFBFSKG-OAHLLOKOSA-N 406.508 1.879 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ncoc2C2CCCC2)C1=O 1854161096 RHGCGIJRFLEHCQ-HOTGVXAUSA-N 400.479 1.792 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCOC4)C3=O)CC2)c1 1854420102 ZJNTYXIJGRPCOD-RTBURBONSA-N 412.490 1.598 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN2S(C)(=O)=O)C(=O)C12CCCCC2 1854448197 GOPMRTAQYGKVCE-SJORKVTESA-N 424.567 1.476 30 10 HDEE COCc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)n(C)c1 1855175965 CTESLCJGCJZIDC-HNNXBMFYSA-N 405.432 1.205 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(Br)c3)C2)C(=O)C1 1855378117 PDCGAHACTXSWHA-ZDUSSCGKSA-N 406.280 1.659 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)CCc2ccc(F)cc2)c2ccccc21 1855727957 VSZYCHXZISKRDR-UHFFFAOYSA-N 401.419 1.991 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1856263518 HTEBLGZXOHTWBD-SFHVURJKSA-N 406.486 1.959 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2=O)CC1 1856551229 IWLSTSQGKNNCQW-HKUYNNGSSA-N 400.523 1.921 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)c(=O)n1 1857196684 ZRTZFALZMPRXBM-LJQANCHMSA-N 413.522 1.784 30 10 HDEE CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(C)c(C#N)c3)C(=O)O2)CC1 1857480656 JGSUAMGKCNSXFJ-QGZVFWFLSA-N 405.476 1.889 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccccc1C(=O)O 1862558989 FDDPQEVCRNSKBW-SFHVURJKSA-N 423.425 1.681 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(F)c(F)c2)[nH]1 1871684994 RNOSRXBURWGRPS-UHFFFAOYSA-N 419.436 1.614 30 10 HDEE O=C(O)c1cc(Br)cc(S(=O)(=O)NCC#CBr)c1F 1895124090 PGPWKBBFXQBMAI-UHFFFAOYSA-N 415.034 1.921 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 1903644099 SOEGKYKESWXNKY-GFCCVEGCSA-N 411.283 1.239 30 10 HDEE CC1(C)OB(c2cnc(N3CC(S(C)(=O)=O)C3)c(Br)c2)OC1(C)C 2052609192 SLKACLMYDNPKEI-UHFFFAOYSA-N 417.134 1.377 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC2CCN(C(=O)OCc3ccccc3)CC2)C1 2054405911 QACLRRODAWAIGZ-KRWDZBQOSA-N 406.508 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@@H](CO)C1 2116329198 HHHZCNLMRGEWJA-YPMHNXCESA-N 401.510 1.516 30 10 HDEE N#Cc1cc(Br)cc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@H](C(N)=O)C2)c1 2118194540 MNHJNKXBGQFTPR-ONGXEEELSA-N 419.201 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CCCN([S@@](C)(=O)=NS(=O)(=O)CC2(C#N)CC2)CC1 2174773019 PUJYUUSDIHZJJP-SANMLTNESA-N 420.557 1.576 30 10 HDEE CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCOCC1 2174783254 AFCKXLORPMMLPZ-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1C[C@@H](CO)[C@@H](C(F)(F)F)C1)C(F)(F)F 2180829070 LOZZBBCWZYDFAO-WATHFIQWSA-N 404.229 1.615 30 10 HDEE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243419111 RQITWLXFHVLQOF-UHFFFAOYSA-N 404.276 1.873 30 10 HDEE Cn1ncc(C(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247915827 KHSJFZFNFYDDTI-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2CCN2Cc2ccccc2)n1 2247923091 SITNMIQTCPEJLJ-MRXNPFEDSA-N 411.315 1.119 30 10 HDEE C[S@](=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267465778 YWDASHWNJXROAT-DEOSSOPVSA-N 407.750 1.296 30 10 HDEE N#Cc1cccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270524772 OEERVNUTRVFKMF-KRWDZBQOSA-N 417.443 1.357 30 10 HDEE C#CCN(C(=O)[C@@]1(F)CCCN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2280423296 HZXAZPSUHDIMIW-KBXCAEBGSA-N 402.488 1.375 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)[C@@]1(CN)CCOC1 2281965468 CAXCHPZCIVZIPZ-QGZVFWFLSA-N 400.737 1.891 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1C 2282328925 FKNDEKLMWHOCEK-CQSZACIVSA-N 400.375 1.762 30 10 HDEE C[C@@H](CO)CC1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333986 VXHNOIDIMDUFOH-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE CN(C)CC(C)(C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334783 GOHIHQCFMSROTL-UHFFFAOYSA-N 402.391 1.913 30 10 HDEE CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337530 LPOCIMHHWIVEKV-LLVKDONJSA-N 402.347 1.239 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CCNCC1 2282354382 PQRGXAIZIADXSP-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@H]2CS(C)(=O)=O)OC1(C)C 2282624087 KAQGNUWJCDMGOB-NSHDSACASA-N 400.331 1.092 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)[C@@H](CO)C1 2282830916 BSRCTAJIKVMXTN-WCQYABFASA-N 401.359 1.605 30 10 HDEE CCCC[C@H](CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842573 AFUQBXLLJDHUNA-CQSZACIVSA-N 402.391 1.984 30 10 HDEE C[C@@H]1CC[C@](CO)(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851416 BKAHWXPLGWWEBI-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CC[C@@H]1CCNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851907 IYMKJLIXZDGUBS-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C(=O)O 2284395632 NPYHNXFOIMUKRN-GWCFXTLKSA-N 401.315 1.531 30 10 HDEE CC=CC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400650 BIBAYTHHKOSHRD-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE CC(C)(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406536 ZMLLIULCXFFSQM-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284407652 NSFCSZGRQRDDFQ-JTQLQIEISA-N 421.371 1.532 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1(C(=O)O)CC1 2284413575 LVCUJNGGSBSOFQ-UHFFFAOYSA-N 401.315 1.593 30 10 HDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@H]1c1ccncc1 2296945930 WMDCPZPPEKGZNW-LJQANCHMSA-N 409.442 1.836 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccccc2[N+](=O)[O-])CC1=O 2329056011 RHUKOBZABIGDDF-AWEZNQCLSA-N 418.479 1.877 30 10 HDEE O=[N+]([O-])c1cc2c(cc1C=Nn1c(SCCO)nnc1C(F)(F)F)OCCO2 2331159365 MDFDYKSOENSOOW-UHFFFAOYSA-N 419.341 1.943 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(F)CCC[C@@]2(NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2356036371 JNLAQSDDGLTALJ-XOKHGSTOSA-N 402.492 1.548 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)c2)OC1(C)C 2360621125 SRUNRCWOZRCOBO-NSHDSACASA-N 401.230 1.853 30 10 HDEE CN(Cc1c(Br)c(Br)nn1C)C(=O)[C@@H](N)CCCC#N 2364418318 PYWXSUFUAGQMFS-QMMMGPOBSA-N 407.110 1.925 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 2365202380 NSCOQPWSVRJGQP-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C12CC(NC(=O)OC(C)(C)C)(C1)[C@H](C)O2 2365207594 ADKKTPSPGQTFIX-IHWOHKJGSA-N 400.541 1.616 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H]2[C@H]1CCN2C(=O)OC(C)(C)C 2365208542 DBAHTHONQOSASG-GJRWTSMGSA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(CCCO2)C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)C1 2365255606 YAJOGYSSTODMIH-OALUTQOASA-N 400.541 1.701 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(CNC(=O)OC(C)(C)C)CCCO1 2367794464 ZZDRFFKHCABNIG-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)NC[C@](O)([C@@H](N)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367805525 CCSBTWZJNOKEPM-LIRRHRJNSA-N 402.557 1.586 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2367810054 SXASHKCORDSLFJ-OAHLLOKOSA-N 400.541 1.307 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367820601 RPLSKOHODWWVAG-GJZGRUSLSA-N 402.557 1.599 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367838738 HCJROSYOTLPNSR-ZBFHGGJFSA-N 401.525 1.828 30 10 HDEE Cc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)s1 20837043 IQZLYBAPTJSABK-PJQLUOCWSA-N 406.501 1.492 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)NCc3cnn(-c4ccccc4)c3)CC2)c1 29449136 DNUDBVCCBVMSGD-UHFFFAOYSA-N 401.474 1.577 30 10 HDEE CN(C)C(=O)N1CCC(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)CC1 109943315 KMFCRNVOEQDFMU-QGZVFWFLSA-N 415.519 1.792 30 10 HDEE O=[N+]([O-])c1ccc(O)c(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 254616628 AFQPESFQGCMCJN-UHFFFAOYSA-N 414.426 1.368 30 10 HDEE COCCN/C(=N/N)Nc1ccc(I)c(Br)c1 306055541 UTZPITXYNXNVOQ-UHFFFAOYSA-N 413.057 1.931 30 10 HDEE C[C@@H](C(=O)N(C)[C@H](C)c1cccc(N2CCCS2(=O)=O)c1)n1cnc(C#N)n1 409951326 LBVHENKRIDIYIX-KGLIPLIRSA-N 402.480 1.470 30 10 HDEE CC(=O)N1CCN(Cc2ccc(NS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)CC1 427750047 SLQFZSPBKKZCKN-UHFFFAOYSA-N 413.503 1.727 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2cc(-c3cccc(C#N)c3)no2)CC1 461298633 UQKHNUYXDUFYAQ-UHFFFAOYSA-N 403.464 1.168 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1cnn(-c2ncccc2C#N)c1 462092684 MOSDVOCPIZIAQF-FPCVCCKLSA-N 424.417 1.096 30 10 HDEE C[C@H](O)CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466054595 SEGBLFOFHJSXLY-HNNXBMFYSA-N 408.524 1.371 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)N[C@H]3CCC(=O)N(C)C3)c(C#N)c2N)cc1 478511582 CEXREHSJBMCXQI-HNNXBMFYSA-N 409.494 1.487 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 479034417 JKZPWIVRRHDEJX-DLBZAZTESA-N 422.503 1.947 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3cccc4c3OCCC4)C2=O)cc1 488649124 SJWKVQSJCHBDIG-LJQANCHMSA-N 418.453 1.739 30 10 HDEE COC(=O)[C@H](CNS(=O)(=O)c1cnc(C)c(C#N)c1)Cc1ccccc1OC 489695441 FHQICASOXRGAES-INIZCTEOSA-N 403.460 1.581 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 492781138 AZNUKKMTOKLTJF-HUUCEWRRSA-N 417.579 1.968 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503402125 GNTYJNZWOFARCT-VGSWGCGISA-N 415.538 1.970 30 10 HDEE Cn1cnc(C(=O)N2CC(F)(F)C[C@@]3(CCCN(c4cccc(C#N)c4)C3=O)C2)n1 503717759 BEJUKSLRSHQILB-IBGZPJMESA-N 414.416 1.981 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 504061993 SKMNLNCENBHNBM-UHFFFAOYSA-N 414.443 1.542 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 511416954 UYIDZLAYINBNBY-KLAILNCOSA-N 406.508 1.719 30 10 HDEE C=CCn1c(SCC(=O)N=c2nc(C)[nH]o2)nnc1[C@@H]1COc2ccccc2O1 513275634 IBGJMBLTQGCNHP-AWEZNQCLSA-N 414.447 1.821 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O 521616497 MKZDTOOACKTRPU-UHFFFAOYSA-N 413.455 1.719 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 523306388 HKMOFULYFNCHJP-AWEZNQCLSA-N 401.513 1.418 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 533875595 BTRNLEOCTLIUHA-QAPCUYQASA-N 408.458 1.045 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CC[C@@](O)(C(F)(F)F)C2)c1C 536447600 JMYUWJCSDKYNKI-SFHVURJKSA-N 421.379 1.825 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 540822249 GZZKKFZMYQUTBM-SFANZJOMSA-N 410.584 1.110 30 10 HDEE C[C@@H](O)C(=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543891597 GLKLYTVJUSFWMN-GFCCVEGCSA-N 402.842 1.454 30 10 HDEE NC(=O)[C@H]1Cc2ccccc2N(CC#CCN2C[C@H](C(N)=O)Cc3ccccc32)C1 551699537 GBKHAVSZIHFDOR-BGYRXZFFSA-N 402.498 1.318 30 10 HDEE C=C(C)CN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2cnn(C)c2)c1 552770668 DDNYQVFFQOFAOS-UHFFFAOYSA-N 412.537 1.832 30 10 HDEE COc1cc(CNC(=O)Cc2c(C)nn(-c3cncc4nnnn34)c2C)ccc1C#N 558556045 YMINUPNBSWAABU-UHFFFAOYSA-N 417.433 1.061 30 10 HDEE C[C@@]1(c2cc(F)cc(F)c2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 569042947 QOOUUQUESDYPFN-SFHVURJKSA-N 420.397 1.472 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 574305349 KHBCERVLFLVVEY-KBPBESRZSA-N 407.478 1.468 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 585355280 CLAJSGAOJPDDMU-UHFFFAOYSA-N 403.420 1.925 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCc3ccc(C#N)cc3F)no2)cn1 611562457 LFWOCFJVDHMLAE-MRXNPFEDSA-N 411.397 1.764 30 10 HDEE Cc1nc(-c2cnn(C)c2)sc1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 734704211 NSGBKYWBHFIJMZ-UHFFFAOYSA-N 401.473 1.984 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NCC#N 756750090 LQPCMNWAAQSXGJ-SNVBAGLBSA-N 403.254 1.042 30 10 HDEE C#CCN(C(=O)NCC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 774191610 ZQZHXOQCEPXSKQ-INIZCTEOSA-N 413.540 1.465 30 10 HDEE Cc1cc(C(=O)OCC(=O)NC2CCN(C3CC3)CC2)nn1-c1cccc(C#N)c1 780198549 OTLCGYCJFHZIEB-UHFFFAOYSA-N 407.474 1.952 30 10 HDEE Cn1ncc(-c2csc(=NCC(F)(F)F)n2N=Cc2ccc(O)c(O)c2O)n1 789991533 QPFHTLROGMCZKL-UHFFFAOYSA-N 414.369 1.807 30 10 HDEE CC(C)=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 790704893 GGIHTJRWFUVYCZ-GOTYSUTNSA-N 417.579 1.958 30 10 HDEE N#C[C@H](C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nccc2ccccc12 792094007 LIINTBOSDWPIAL-ZBFHGGJFSA-N 410.455 1.577 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)cc1 792699615 HBNBYOGAABAKIM-VQTJNVASSA-N 406.442 1.899 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798744918 WLWNQRRUVHCKOU-HIFRSBDPSA-N 413.434 1.635 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc3nc[nH]c23)CC1 800482483 HYUPYKXOUUUWTC-UHFFFAOYSA-N 418.295 1.223 30 10 HDEE CCOC(=O)C1(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 803832237 WZZRCYMSTHXACV-QGZVFWFLSA-N 400.431 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCO1 812302016 RXABRVLVMCYPRI-SFHVURJKSA-N 412.515 1.991 30 10 HDEE C#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12)c1ccc(Cl)cc1 812350811 BIODDPREJAJNFQ-AWEZNQCLSA-N 413.846 1.856 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1)c1ccc(F)cc1 812964785 UCIJMMAFKFHMTR-KRWDZBQOSA-N 418.450 1.738 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)OCc1cccnc1C#N 813166462 WGWOBVVOHQUMPG-INIZCTEOSA-N 402.451 1.902 30 10 HDEE CC(=O)N1CCN(c2ccc(OS(=O)(=O)c3cnc(C)c(C#N)c3)cc2)CC1 813643029 NXNIWEIRXOBCIO-UHFFFAOYSA-N 400.460 1.698 30 10 HDEE C=CCN(C(=O)Cc1ccc(NC(=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1125883788 LHVJQVSRZXRQAI-CQSZACIVSA-N 404.410 1.932 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)Nc3cc(F)c(F)cc32)cc1 1134039393 GFGWHFMKYFQDPQ-UHFFFAOYSA-N 420.397 1.756 30 10 HDEE COc1cc(OC)cc(N2C[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)c1 1135005929 MSUFKVATTJRSHY-GFCCVEGCSA-N 411.418 1.294 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1([C@H](C)NC(=O)OC(C)(C)C)CCOCC1 1137752277 PAHWXWIZOGXAHO-AWEZNQCLSA-N 404.529 1.413 30 10 HDEE O=C(CN1Cc2c(cnn2-c2ccccc2)C1=O)NCc1ccc(C(=O)NO)cc1 1139232780 UQODVFAEFZPEPO-UHFFFAOYSA-N 405.414 1.264 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cc3nncn3C)CC2)s1 1156129850 KNOWFXMDQLERBB-UHFFFAOYSA-N 423.564 1.365 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1159765329 YKFDIBWONHHXJX-NSHDSACASA-N 403.298 1.204 30 10 HDEE CC(C)[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1(CO)CC=CC1 1163849721 MQXUDQNYQHVODJ-YJBOKZPZSA-N 405.520 1.695 30 10 HDEE CCOC(=O)c1c(NC(=O)Cn2c(C#N)nc(C)c2C)sc(C(=O)NC)c1C 1189842293 HZTMJNZYNZLRFR-UHFFFAOYSA-N 403.464 1.917 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@@H]2CC[C@H](C(F)(F)F)O2)n1 1189895726 CCVYMNWAEINHJU-LSDHHAIUSA-N 409.430 1.404 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1196677267 XPUIUEQIDFLYMO-JJXSEGSLSA-N 411.428 1.373 30 10 HDEE COCCCOc1cccc(CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1224741006 CHVYKUFHBQASIM-UHFFFAOYSA-N 413.434 1.002 30 10 HDEE C#CCCCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1286335440 QHNXNVPNYGLKAH-RTWAWAEBSA-N 404.511 1.729 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286383601 DJYIQHIOFXZBOJ-QZTJIDSGSA-N 424.567 1.471 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](F)COC)CC1 1286484104 HUEAYQNOODQXGN-KRWDZBQOSA-N 417.485 1.605 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CC3CC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1288981353 ABVWNEQWPMDZEZ-SFHVURJKSA-N 407.540 1.300 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CCN(C)CC1 1289195518 NMHRCNVUIPDLKG-CQSZACIVSA-N 402.426 1.643 30 10 HDEE COc1cccc(O)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290635750 AOTKZDJRPNAOOO-UHFFFAOYSA-N 401.444 1.419 30 10 HDEE CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)Cc1ccon1 1295101594 BUSMIYBKGXYYIN-UHFFFAOYSA-N 415.479 1.380 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(C)(C)CO)CC2)cc1B1OC(C)(C)C(C)(C)O1 1295839503 NILSVTWOWDMWQO-UHFFFAOYSA-N 402.344 1.823 30 10 HDEE CCN(CC)CC[C@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1297141317 XXVKORUPFKKNLA-QGZVFWFLSA-N 423.355 1.966 30 10 HDEE CS(=O)(=O)C1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCC1 1297537221 IBGWZBNYQZQJHV-UHFFFAOYSA-N 402.469 1.210 30 10 HDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCOCCCO)CC[C@H]21 1298796067 GETRHGMRRJHUJG-RBUKOAKNSA-N 424.505 1.273 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)CC1 1301066500 QWAGQYRINBRTDH-OAQYLSRUSA-N 419.526 1.334 30 10 HDEE COCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCCC1 1301460324 BRSKPXGNMSGRRS-MRXNPFEDSA-N 404.515 1.742 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1301484700 KWPSCXYJDKVJRC-GOSISDBHSA-N 421.505 1.614 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@@H]1C 1301808243 AFJCXJZHVYPSQQ-KUHUBIRLSA-N 420.539 1.540 30 10 HDEE CCc1nnc(N2CCN(CC(=O)Nc3cc(C)on3)CC2)n1Cc1ccc(C#N)o1 1306205881 YXONXLXMWCTJRY-UHFFFAOYSA-N 424.465 1.411 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O 1312002533 BRFUBMGTWXQHCS-SJORKVTESA-N 403.479 1.868 30 10 HDEE N#Cc1cn(CCNC(=O)NCCc2cccc(Br)c2)c(=O)nc1O 1312834821 DIWXBEWUIMKIHO-UHFFFAOYSA-N 406.240 1.125 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1313191621 XJJLKIXACGTLMT-JBYIUTFZSA-N 423.561 1.857 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)CCOC1 1314138051 IAGRKRWVRFDVHY-OXFYSEKESA-N 404.515 1.142 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1nncn1CC 1314405579 DQQKSVICFLTZJM-GOSISDBHSA-N 422.493 1.924 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OC[C@@H]1CCS(=O)(=O)C1 1321117121 JKHRPKGNQXDGIY-QMMMGPOBSA-N 410.395 1.748 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1358871920 LYJCBRMVYLXFDV-HUUCEWRRSA-N 410.482 1.847 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358918512 XTGMYKVWZGMUJT-QZTJIDSGSA-N 421.567 1.937 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1358927580 CHKRZUGINKFUNQ-QGZVFWFLSA-N 411.510 1.570 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1358960603 ICWFXOZGKAGQTR-SJORKVTESA-N 416.551 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 1358994567 QGDBEDGBKAFCLI-RBUKOAKNSA-N 417.579 1.375 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1359007501 MBAKYGRYPJGFQR-HNNXBMFYSA-N 410.478 1.313 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1359010365 NGWPRHCDULFAMX-JKSUJKDBSA-N 402.524 1.099 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCNC(=O)c2ccco2)CC1 1359034975 IAZINOPADIXDFW-QGZVFWFLSA-N 412.494 1.298 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1359059331 JSNNMZJOXKQNIL-QGZVFWFLSA-N 423.608 1.601 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OC)C1 1359099993 VSDGPLWTWHJMNY-HZMVEIRTSA-N 410.540 1.387 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)[C@H]1CCOC1 1359294163 MIDFEQRWYJMVEH-HNNXBMFYSA-N 401.467 1.490 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1CC1 1360369347 HXKRFWQBZIUMBR-GXTWGEPZSA-N 423.922 1.989 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccsc1 1360728513 NHLZJJOKVLVKEL-ALKREAHSSA-N 403.508 1.870 30 10 HDEE C=CCc1cc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)cc(OC)c1OC 1437766435 HULBIBAJAYJQMK-GDBMZVCRSA-N 405.447 1.999 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1452250950 SEXBFFATMLKFAC-MRXNPFEDSA-N 415.309 1.880 30 10 HDEE N#C[C@@]12CN(C(=O)c3cn4ccc(Br)cc4n3)C[C@H]1CS(=O)(=O)C2 1456224504 SMJGKFOSPPYUDB-BONVTDFDSA-N 409.265 1.107 30 10 HDEE COC(=O)c1ccc2[nH]cc(C(=O)Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)c2c1 1459216445 AEIKVNYQVUODKO-UHFFFAOYSA-N 406.398 1.676 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 1462272893 QCWMSYACNMWRBA-YBEGLDIGSA-N 419.503 1.614 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)C1=O 1463342452 IISRWEKRWMEOPL-CEXWTWQISA-N 424.501 1.380 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1CN(CC)C(C)=O)c1cc[nH]n1 1464086700 TZGGABFKWJPJNP-UHFFFAOYSA-N 415.450 1.701 30 10 HDEE C#CCSCCNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1468938807 KZSVVTVABJUSPC-INIZCTEOSA-N 424.567 1.606 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ccnc(-n3cncn3)c2)[C@H](C#N)C1 1469728937 IZMCCEUPMPMSKS-HUUCEWRRSA-N 412.454 1.221 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1 1470254053 UZSMQZOBOMWGAU-OAQYLSRUSA-N 406.486 1.752 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1470815332 WLTBAKCERCZAQI-QGZVFWFLSA-N 404.478 1.895 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 1471451499 UYFYFPYTTBNOAE-UHFFFAOYSA-N 408.480 1.175 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C[C@@H]2CCCO2)CC1 1473840914 PVSIWGZIGUVIEE-GBESFXJTSA-N 418.563 1.727 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OCC)c(Br)cc1F 1475461460 WQIMCLRZLQWJHX-JTQLQIEISA-N 422.272 1.818 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC1CC1 1504972522 GXWDXZHMWYFYBW-MGPUTAFESA-N 404.515 1.658 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1507513510 AGJPWGXQKMFFFS-BOSXTWCSSA-N 424.615 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1507541889 NBDQOTNKKGMVFL-OXJNMPFZSA-N 402.520 1.071 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1507592533 SGRCYWZQLQPGTK-IRXDYDNUSA-N 406.494 1.572 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1507601499 RWFZSPJZFFAJTC-LSDHHAIUSA-N 405.528 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1507651087 BLTWSGAEHFHHCT-UHFFFAOYSA-N 415.494 1.116 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCC(=O)NC2CC2)CC1 1507731483 JSEWJPRALOQBQC-SFHVURJKSA-N 400.527 1.334 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCCO2)CC1 1507740198 PVBJDBIUHLCLLQ-LJQANCHMSA-N 408.506 1.409 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507752210 UICMHHZBNWZPBM-QGZVFWFLSA-N 413.551 1.260 30 10 HDEE C=C(C)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC(N)=O 1507830149 SXTRNWRZFYUNAL-CQSZACIVSA-N 409.494 1.951 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@](F)(C#N)C1 1508074307 PWLWQZYMMZMRFJ-FQEVSTJZSA-N 414.441 1.706 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1508074857 SBEPKEYJWVCIOC-AWEZNQCLSA-N 402.886 1.602 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC2(CCOCC2)C1 1508389762 LYSHIQAAVNBOKL-UHFFFAOYSA-N 424.505 1.729 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)cc1 1519161678 AHOZTGSVJCBCPL-UHFFFAOYSA-N 408.466 1.192 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCCN1C(=O)c1cccc(C#N)c1Br 1528515683 MAYGZZILPLYOKN-LBPRGKRZSA-N 400.298 1.865 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCSCC1 1532112542 CVNIKQJUQOGWJM-UHFFFAOYSA-N 421.523 1.912 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@@](C)(C#N)C2)o1 1533110923 YEBDSMWQVXJKAA-ACJLOTCBSA-N 409.464 1.372 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1539005085 PAIYYJHZYVNKCF-YSVLISHTSA-N 412.469 1.170 30 10 HDEE C#CCCCn1c(Cc2ccccc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1539124271 MHLGAFPLCZUASW-UHFFFAOYSA-N 408.550 1.801 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1csc(C)n1 1539161617 ITQFATZPQBHNAF-UHFFFAOYSA-N 405.491 1.998 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)CC1CC1 1539194495 AUDIJVKHFOTNTD-UHFFFAOYSA-N 406.483 1.890 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)CN1CCCC1)[C@H]1CCS(=O)(=O)C1 1539220555 SVKVTEQDVXVVOG-KRWDZBQOSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC)C1 1539290272 CYMOLZZOPYBGSC-SFHVURJKSA-N 405.506 1.730 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539430267 IEKDBCTUTQPYGM-PMACEKPBSA-N 401.603 1.573 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1539516860 FLOFLNZTKMHZSP-QRVBRYPASA-N 419.595 1.695 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCC)CC1 1539704667 GVQBJQZOIVKQSY-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1539831571 JXLMLRPAHROOFB-APWZRJJASA-N 410.540 1.521 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1540036903 WYOQOWCSXHGNTN-IRXDYDNUSA-N 412.556 1.634 30 10 HDEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540081293 XUVDTFDWFNJPOF-MRXNPFEDSA-N 407.515 1.912 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(C)CN(C)C2=O)C1 1540895429 RXHSJAFRJDRXEJ-UWJYYQICSA-N 413.526 1.399 30 10 HDEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1541752651 HRMVQUMSVCMYCD-SFHVURJKSA-N 409.494 1.846 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1cccc(CO)c1 1541907755 DLKBIILJBQBGLC-KBPBESRZSA-N 406.512 1.167 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1543267627 GHTWZGJXVHAGLZ-RQMAVPSVSA-N 413.540 1.665 30 10 HDEE CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1543691211 DTWDMEDXDAUBPX-GDBMZVCRSA-N 402.882 1.939 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(-n3cncn3)nc2)s1 1543864758 OPFSBUFRITTWOM-UHFFFAOYSA-N 418.504 1.047 30 10 HDEE CO[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1554604691 CHFIRQYSVREAGB-KRWDZBQOSA-N 418.505 1.892 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1555190901 DEKLWHTZWQMBKE-RLFYNMQTSA-N 401.442 1.864 30 10 HDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1555348641 ZGOIKCWKAJDEFF-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2cnnn2)C1 1555986683 QVXOMNFDRCLQML-SFHVURJKSA-N 415.408 1.515 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@H](C(F)(F)F)C3)n2CCn2cncn2)cc1 1555989326 HDEGKJMLEUAUKN-OAHLLOKOSA-N 418.383 1.876 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1COC(=O)NC(C)C)c1cc[nH]n1 1556510512 NANVDFJLVJOALP-CQSZACIVSA-N 423.470 1.209 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 1557363709 SPFRVGDVRHYIHO-GOSISDBHSA-N 402.491 1.981 30 10 HDEE COC(=O)c1oc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1C 1557860281 AZNPOARUVJSURR-UHFFFAOYSA-N 405.432 1.415 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cnn(Cc4ccc(C#N)cc4)c3)c2C1 1558014462 NCQJEYYOTZZCBH-SFHVURJKSA-N 417.473 1.950 30 10 HDEE CC(C)(CC#N)CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1563966547 CWUILRKECLUUQN-INIZCTEOSA-N 401.515 1.521 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Oc2cc([S@](C)=O)c(C)cc2OC)c1 1570509196 QQIRHSBWFSPYBD-MHZLTWQESA-N 421.496 1.872 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1CS(C)(=O)=O 1583238398 HTAYXLDHVXKIOA-INIZCTEOSA-N 403.508 1.576 30 10 HDEE C[C@H](C(=O)N[C@H](C#N)c1ccc(F)cc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1587889168 YBOZRLMAFZJUAC-CZUORRHYSA-N 404.442 1.974 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1c(CC)nn(C)c1OC 1587915638 PCBJWQYZSPOENN-NRFANRHFSA-N 416.526 1.741 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCn1c(C)nc2ccccc21 1588075072 WWDHZOYNFPSTGD-UHFFFAOYSA-N 415.501 1.945 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1Cc1ncn(C)n1 1588480789 DBOZPABLFIQXOV-UHFFFAOYSA-N 403.425 1.691 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H]1CCS(=O)(=O)C1 1589580226 NHSYDJWWTQXTMW-DZKIICNBSA-N 406.512 1.639 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1594226246 JCJVVXXVHRLFAJ-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC)CC 1595496739 FTEWCYYQCXXLTN-UHFFFAOYSA-N 420.539 1.344 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(C)C)C1 1595760002 JPKCBTQSUBGWOA-INIZCTEOSA-N 411.572 1.890 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 1595790453 MFAJUBQAEKPZOO-GOSISDBHSA-N 403.548 1.997 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595796683 BJTMHXTUODVFSN-KTGAGVNESA-N 424.567 1.718 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C)CCC3(CC2)OCCO3)s1 1606979861 BSOGJQLSSDBFBS-UHFFFAOYSA-N 414.549 1.947 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1617204119 NHMROULEZOIAQE-GOSISDBHSA-N 424.505 1.966 30 10 HDEE C#CCN(CC(=O)NCc1c(C)nc2c(c(O)nn2C)c1C)C(=O)OC(C)(C)C 1617804766 QCKGOBCJGZGALU-UHFFFAOYSA-N 401.467 1.777 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@H](C)O1 1619737863 VIMOXWANJKZRRJ-KFKAGJAMSA-N 413.478 1.472 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@](C)(O)CCC(C)C 1620111389 SYELMPNZWYWINL-NTLWEQJWSA-N 421.542 1.918 30 10 HDEE CN(C)CCNC(=O)C1CCN(C(=O)c2cccc(C#N)c2Br)CC1 1620567563 DCUBJSRLADLMSP-UHFFFAOYSA-N 407.312 1.851 30 10 HDEE Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)cn1 1622299857 HSZZXSKEWLTZJG-GFCCVEGCSA-N 402.398 1.440 30 10 HDEE CCOC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCC1 1624062448 RYQUNLBYZMVNHM-UHFFFAOYSA-N 419.503 1.515 30 10 HDEE CN1CCCC[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1=O 1624892160 CERADHKFUMKCPK-SEPJKUCUSA-N 406.508 1.696 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(CC#N)n1 1625015111 KXZJGVOMAZWGAM-UHFFFAOYSA-N 407.473 1.218 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1628632485 MUVNNJSHDUSMCO-HZPDHXFCSA-N 405.882 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NCCNc3ccc(C#N)cn3)=NO2)C1 1629662517 QHKWOQLKMCHMDK-FQEVSTJZSA-N 414.466 1.637 30 10 HDEE N#Cc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)cc2)cc1 1632774587 FSVNGEJQSYLUPX-UHFFFAOYSA-N 422.304 1.958 30 10 HDEE C[C@@H]1CCS(=O)(=O)CCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1632888373 UPWMBADIOWACNT-CABCVRRESA-N 401.529 1.999 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)n[nH]2)c1C 1633278851 OOOQMKSUZLEDHX-LBPRGKRZSA-N 410.400 1.969 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1634691120 RUBLEURPYLWNIS-LSDHHAIUSA-N 416.544 1.504 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918584 JXVSTBJPKFXFGV-IEBWSBKVSA-N 408.462 1.176 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 1635737148 HBRLMFFVABFNSU-UHFFFAOYSA-N 409.412 1.901 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1 1635881905 IAUPDXJPJAHJOA-KRWDZBQOSA-N 420.444 1.865 30 10 HDEE Cn1c(S)nnc1CCNC(=O)N1CCC(Oc2ccc(C#N)cc2F)CC1 1636543894 QXHUZFWIBVYCEW-UHFFFAOYSA-N 404.471 1.910 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1641159057 GWUJVTAZMQNRIV-SFHVURJKSA-N 412.566 1.923 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1642431245 ZBUCFSQNCQVUKU-JKSUJKDBSA-N 403.483 1.714 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCCN2C(=O)c3ccccc3C2=O)c1 1643527600 YWZZAOHYTWXYTL-UHFFFAOYSA-N 418.453 1.934 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1CNC(=O)NC 1644192575 JDEYHXORVCAQCW-QWHCGFSZSA-N 404.895 1.179 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cnccc2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1645413995 NOBXKTJAXZNCPF-OAHLLOKOSA-N 400.435 1.435 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1647997281 ACIFSCHXKSJMHT-GOSISDBHSA-N 418.475 1.025 30 10 HDEE Cn1cc(C(=O)CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1648108978 XHHLYBALXMIJHY-UHFFFAOYSA-N 402.252 1.490 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)CCCN1C(=O)OC(C)(C)C 1648163418 AWZQAJZZVGPSFL-MTNREXPMSA-N 423.554 1.674 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)c1cccc(COc2cccc(C#N)c2)c1 1650773270 FBEVFSINODRQED-IBGZPJMESA-N 408.458 1.907 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC[C@@H](CO)[C@H]2CO)CC1 1652340775 ZBPLIAHYFJQILF-DOTOQJQBSA-N 414.462 1.614 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCO[C@H](c2ccc(C#N)cc2)C1 1655734023 WEOOAAJTBMZEFM-LIRRHRJNSA-N 414.487 1.606 30 10 HDEE COc1ccc(CCC(=O)N2CCN(Cc3cc(O)n4ncc(C#N)c4n3)CC2)cc1 1657110979 DOZFBDZALUMORJ-UHFFFAOYSA-N 420.473 1.592 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(Br)cc1CC(=O)OC 1663388248 QYSVICVYOXVTMQ-OLZOCXBDSA-N 404.282 1.786 30 10 HDEE CC(C)(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1677657412 WZXZSLZZWQAPRL-JBCKWKTNSA-N 414.546 1.972 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCC3(O)CCC(F)(F)CC3)C2=O)cc1 1682022096 SRHIIFNKAFDKSE-INIZCTEOSA-N 406.433 1.899 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1684078255 UMAJVIFQYSHXBV-OXQOHEQNSA-N 414.506 1.548 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1684171491 ATVXUWQNUDBPIG-UHFFFAOYSA-N 423.495 1.438 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1684746899 QJJWWQLNDLVMTD-DYESRHJHSA-N 409.534 1.754 30 10 HDEE C#C[C@@H]1COCCN1C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543925 ZIEUZBSRYSTMPR-HUUCEWRRSA-N 401.467 1.318 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1689835948 VPGIGHRPENXMRO-YWZLYKJASA-N 419.551 1.814 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1689873802 XEUBPIOQYUDQCO-UHFFFAOYSA-N 421.567 1.721 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992639 NNTONRCGPGHSBZ-QZTJIDSGSA-N 407.584 1.444 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1690003084 CIFVLDSLMYSQCV-UHFFFAOYSA-N 403.284 1.207 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)COCCO1 1690009579 BMEHIPUJZYKGCM-QFIPXVFZSA-N 408.458 1.595 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncc(CC)s1 1690190267 PWYVDGUYFRUSFE-FZKQIMNGSA-N 422.580 1.948 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCOCC1 1690269650 CNCDSHGWSLMMIB-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1690319386 LECDKKVZXLDUTI-KRWDZBQOSA-N 410.478 1.633 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@]23CCC[C@]2(COC3)C1 1690328964 ROXNLRCPGVAVAI-XYPHTWIQSA-N 415.947 1.648 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690451843 RBFPSAWENCBEBN-WBVHZDCISA-N 421.571 1.421 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCS(=O)(=O)C1 1693506280 ARDZCMYDSWPKPE-LJQANCHMSA-N 414.535 1.215 30 10 HDEE CN(C)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1696607876 JRBCVNQDNBPHON-UWJYYQICSA-N 411.485 1.980 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2CCS(=O)(=O)C2)cn1 1696850507 DGFFGRNGTKBOLW-OAHLLOKOSA-N 403.512 1.243 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC[C@H]1C 1697678496 QOZHRYYNKPIOLP-PERKRYKHSA-N 410.522 1.745 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1697971473 FMDZHWAZKGYBON-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1 1705485226 GLPNRMVRCHQLLZ-YCRPNKLZSA-N 400.479 1.962 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1705551693 CNIFZRZIQPXBKC-UHFFFAOYSA-N 410.526 1.294 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 1705567776 ZKVHEZROMGHLES-RTBURBONSA-N 414.531 1.765 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCO1 1705626680 FIGBONFEQODPDW-HNNXBMFYSA-N 401.467 1.661 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(=O)N(C)C1CCCCC1 1705629035 VWBOSEAWVJLZRN-QGZVFWFLSA-N 403.527 1.659 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1705805776 OBDJQQPYNMTCSW-MBOZVWFJSA-N 424.567 1.921 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705896888 BBVAPNVMPTXHAV-MAUKXSAKSA-N 415.542 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cscn1 1705928763 UINGPMNONIYLGP-UHFFFAOYSA-N 424.552 1.208 30 10 HDEE CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1706064382 UBZZUJQEUZGFPV-OAHLLOKOSA-N 402.430 1.251 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCOC[C@H]1CCOC1 1709101620 CRVJCMXBQKHLHP-OAHLLOKOSA-N 412.494 1.819 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1711275059 AQUVZXFAGARFPF-WOJBJXKFSA-N 418.448 1.505 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1722296357 PCUDNDPAXHFPAV-GOEBONIOSA-N 403.508 1.480 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1722320040 RSGVILADGGOQDY-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1722359186 IYHBQBVLOVGDQH-GDBMZVCRSA-N 406.508 1.756 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1722366339 RAOHNWCDURJQPG-KBPBESRZSA-N 422.580 1.881 30 10 HDEE C#CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722368667 ULEIBHKQWYSYNM-MAUKXSAKSA-N 416.503 1.827 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCC1 1722407573 NHARZVSBPIWWTI-UHFFFAOYSA-N 405.510 1.866 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(C)O 1722422114 VRJLZJMWYJPNBO-UHFFFAOYSA-N 420.535 1.596 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1722456992 LRNPBEGJTVYLEL-OAHLLOKOSA-N 420.560 1.943 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1722694352 SYRLSZDUDIALRZ-SFHVURJKSA-N 407.478 1.224 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(Cc2ccccc2)CC1 1722724264 RQRQZZYCWRGOHD-UHFFFAOYSA-N 403.552 1.900 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCCN(C(=O)C2CC2)CC1 1722725889 SVKVMODJEXEOLV-MRXNPFEDSA-N 423.583 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1722730997 AHEGMCRZYPJNRL-SQGPQFPESA-N 424.567 1.910 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722750739 NYYDGCDBIFBNNX-HNNXBMFYSA-N 419.507 1.258 30 10 HDEE CO[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1729838396 VMAFSMPLPNZDSU-QGZVFWFLSA-N 418.505 1.892 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCOCCN(C)C 1730943806 XEQSPMVJKMDPMA-ROUUACIJSA-N 420.558 1.710 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1cn[nH]c1 1740632021 ZULOHTISVANWQZ-UHFFFAOYSA-N 408.487 1.387 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCCCC2)CC1 1740688375 FNTDKFHBOOOZDC-IBGZPJMESA-N 415.586 1.294 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C)cs2)CC1 1740689748 COAVHVLYSCCFPK-MRXNPFEDSA-N 404.540 1.571 30 10 HDEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCCOC)CC1 1740810084 QACOPMRBECMMGH-UHFFFAOYSA-N 410.950 1.573 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1740850259 DVNVIPZLZBEIEK-CVEARBPZSA-N 424.571 1.952 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCN(C)C1 1740893357 HLNYVTIHIDRFBN-IBGZPJMESA-N 405.524 1.037 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740947720 BQKZJNLBXFTLBE-MRXNPFEDSA-N 400.508 1.716 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740961039 JRUVGSFRJPWJLB-KRWDZBQOSA-N 404.559 1.468 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccc[nH]4)n3CCOC(C)C)CC2)c1C#N 1742668924 GVLAUEZHELYZBX-UHFFFAOYSA-N 423.525 1.938 30 10 HDEE Cc1cc(C)n(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n1 1742719076 AJQXVKLHSQVFRK-BBRMVZONSA-N 422.559 1.388 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1746695306 CLFIKTFPTCFDCQ-PMACEKPBSA-N 408.522 1.960 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1748716548 YDSNMDSZUMUMHT-MRXNPFEDSA-N 414.510 1.496 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)Cc1ccccc1 1748766779 XUYXBOSUGPAVRA-IRXDYDNUSA-N 418.567 1.478 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748823745 AXLPQALUFSFBCD-QBPKDAKJSA-N 410.515 1.895 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1748948831 XTVFFYKQVVOWFW-UHFFFAOYSA-N 405.418 1.524 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749402048 IGYQKIFNOWQGJV-KRWDZBQOSA-N 402.543 1.539 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCS1 1749489271 SUAYNHDSKQUXFW-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)Cc1cc(C)on1 1749676193 ICZHQVMYLKZFAE-UHFFFAOYSA-N 401.496 1.869 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C2CC2)C1 1749738137 GVKNVAUTNHHBBO-SFHVURJKSA-N 418.567 1.977 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CC2(C(N)=O)CCCC2)cs1 1751783106 RBTDYAGAZMHXTE-OAHLLOKOSA-N 415.523 1.408 30 10 HDEE Cc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)C)n[nH]1 1751788619 FTOIMKHRZUKEIY-UHFFFAOYSA-N 407.482 1.447 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCNc1nccc(C(F)(F)F)n1 1760160642 IKFHXVAYYRFQDS-UHFFFAOYSA-N 410.404 1.407 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OCCC)CC1 1760258941 FFYFJTAAATVWGA-LJQANCHMSA-N 410.522 1.769 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCOCC2(CC2)C1 1760272984 YUQKIKADEBRRGR-UHFFFAOYSA-N 412.519 1.909 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@H]1CC 1760280061 MFOJRHGOKYHDGG-CQSZACIVSA-N 416.507 1.087 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC(=O)NCC(F)(F)F)CC1 1760396591 QXWUMXDYAYEYOF-UHFFFAOYSA-N 414.432 1.595 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCOCC2)CC1 1760405466 ZMRFRPQBHZQETO-GOSISDBHSA-N 416.570 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C[C@H]1CC 1760518659 YOQXIVYXEDCFOF-NVXWUHKLSA-N 421.509 1.848 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1760692871 FDPHKKYUFSFTLP-ZDUSSCGKSA-N 420.477 1.716 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)CCCO1 1763198639 HCRLFDRVPDXCJL-KRWDZBQOSA-N 412.542 1.919 30 10 HDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)cs1 1764651245 QOQDSIYXGXGQOW-NWDGAFQWSA-N 411.557 1.551 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](F)COC 1768230235 WOJHHEZQAPBHMQ-INIZCTEOSA-N 409.487 1.672 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@@](C)=O)CC2)C1 1769418430 ATBWDZYDHUWJPT-HYDGNGQDSA-N 413.503 1.727 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCS1(=O)=O 1769847097 QUOZTJVHIBOJQP-HZPDHXFCSA-N 411.528 1.463 30 10 HDEE COCCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1770076053 LFOKQFVOOZRTBG-SFHVURJKSA-N 421.461 1.537 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCc1nc(C)no1 1771187599 GGDSKHPKPJPHPR-SCLBCKFNSA-N 407.450 1.768 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc(F)c(Cl)c1)[C@H]1CCN(C)C1=O 1848761331 QIPCDGSHOUOORS-HNNXBMFYSA-N 417.890 1.393 30 10 HDEE COCCn1nc([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2)n(C2CC2)c1=O 1849419277 IWDLNTNBVHCZAM-GOSISDBHSA-N 409.490 1.846 30 10 HDEE COc1cc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)ncc1Br 1849424887 ANOXKVWXKOOISL-UHFFFAOYSA-N 403.240 1.475 30 10 HDEE NC(=NOCCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 1853416727 GERRGUIKTSYCML-MRXNPFEDSA-N 408.886 1.217 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(COC)cn2C)C1=O)[C@@H]1CCN(C)C1=O 1854189380 HKUBSYDOIRYALA-ZWKOTPCHSA-N 416.522 1.412 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CCC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283876 PKNVXWOSXJQDHZ-RDJZCZTQSA-N 402.474 1.370 30 10 HDEE COc1ccccc1Cc1noc(C2CN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)C2)n1 1854492748 SYZSWAFTQPIMFR-CQSZACIVSA-N 409.446 1.357 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1COCCO1 1854751153 ZDIUFSITJOLAPP-SFHVURJKSA-N 420.487 1.271 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1854786353 XUPRISSEVPOAPT-LBPRGKRZSA-N 417.409 1.442 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)COc3ccnc4ccccc34)C(=O)C2)C1 1855019625 SWFIZNAAZOVEJW-QGZVFWFLSA-N 407.474 1.272 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1855587336 HPYGIRLWEBHSBH-MRXNPFEDSA-N 400.479 1.472 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1 1855703802 CYEXFKXVZTXFTE-LSDHHAIUSA-N 402.882 1.913 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@@H](N2CCN(c3ccc(OCC)nn3)CC2)C1=O 1855752730 FKRIQFPANJAASU-DLBZAZTESA-N 401.511 1.727 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)CC3CCC(=O)CC3)C2)C1 1856386581 PJGBHCOSQTXKPJ-MRXNPFEDSA-N 410.474 1.541 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1(C)C 1856396020 WVGNVDVFEACOHE-QGZVFWFLSA-N 419.547 1.723 30 10 HDEE Cc1ccccc1CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856604859 ZJZBEROLEAHQID-SFHVURJKSA-N 419.503 1.840 30 10 HDEE Cc1ccc(OCC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1856891796 XHOPODNYECSLIN-QGZVFWFLSA-N 402.428 1.793 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(-n4cnnn4)cc3)C2)CC1 1856957162 ZZNJBGQXSQXSOV-KRWDZBQOSA-N 407.478 1.667 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2cc(C)ccc2C)C1)[C@@H]1CCN(C)C1=O 1857316134 FVSOJRWSGUSXOF-RTBURBONSA-N 413.518 1.776 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C(=O)C2)cc1 1857381124 LIWAWRGWAQZCRZ-LJQANCHMSA-N 406.442 1.606 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1[C@H](C(=O)N(C)C)c1ccccc1 1857461630 WVVKKPHOBIUNNL-BEFAXECRSA-N 405.458 1.456 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccccc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868592523 UWUSQHXQDZKBEF-RTBURBONSA-N 404.532 1.739 30 10 HDEE N#Cc1nnn(-c2ccc3c(c2)OCO3)c1NC(=O)CNC(=O)c1ccc(Cl)cc1 1870140309 KEJQLRJDKAFVLW-UHFFFAOYSA-N 424.804 1.890 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2OCC)c(=O)cc1CN1CC(O)C1 1870337465 GZXHAEVCWDNXJX-UHFFFAOYSA-N 413.474 1.627 30 10 HDEE C=CCOc1cn(CCc2c[nH]c3ccccc23)c(CN(CCO)CCO)cc1=O 1870386604 WPQDWTZFLFADAP-UHFFFAOYSA-N 411.502 1.924 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C 1885923287 JVOBSSRRKYTFJD-KGLIPLIRSA-N 401.504 1.848 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#CCN(C)C 1891021988 YXMHTFDCMHSQGO-SJORKVTESA-N 408.524 1.001 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N[C@@H](CC#N)C(F)(F)F 1965048569 IXRPZOMHHJSCDM-MNOVXSKESA-N 413.418 1.371 30 10 HDEE N#CC1CN(S(=O)(=O)N[C@H]2CN(C(=O)OCc3ccccc3)CC23CCC3)C1 2054408697 UOTTULUCHKLRCB-KRWDZBQOSA-N 404.492 1.467 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2118162411 HGRPZSPJRGRZBW-YDBLSZJJSA-N 406.530 1.184 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2243407316 PLPGAWBYIVOBPU-UHFFFAOYSA-N 408.260 1.860 30 10 HDEE Cn1nc(C(=O)NCCNOCc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2243422931 OMWBCPNITQKZGH-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245269551 YRLRCZVNKLYYOT-MMQHEFTJSA-N 409.292 1.026 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2248401973 QEVHPKHGUDUCQN-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE C[C@@]1(C#N)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258177771 PLIHOEMRIHPDJZ-QAPCUYQASA-N 409.464 1.321 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707515 RZYINKNWQOXSES-UHFFFAOYSA-N 407.750 1.870 30 10 HDEE N#Cc1c(F)cccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270524308 JRPFNAZJOSJCQN-MRXNPFEDSA-N 421.406 1.819 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1 2279246990 ZNKGGMQNMQEQQG-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CCc1nc(C(=O)NCC[C@H](C)[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282030831 KZHFYCKXRWUCHP-LJZMDLFKSA-N 400.375 1.892 30 10 HDEE CCN(C)C1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282303911 CJBWADIUWFVSME-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](C2OCCO2)C1 2282313619 NQMGREJXZMZMRB-OAHLLOKOSA-N 423.340 1.678 30 10 HDEE CN(C[C@@H]1CCCCN1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282331448 NNJXEQLSOPFPMA-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(C)CSCCO3)s2)OC1(C)C 2282331921 TZJVWYJYEUOCTE-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CC1(C)OC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)O1 2282353157 FMYLQBCECBSORN-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@](C)(O)C3)c(Cl)c2)OC1(C)C 2282410134 VHGLIXZBQUYWBZ-KRWDZBQOSA-N 401.721 1.785 30 10 HDEE COC[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282503191 WEWSEVFZKMZDMJ-CYBMUJFWSA-N 401.359 1.845 30 10 HDEE C[C@@H](N)[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2282638010 HBOGDIGQQCYHJF-ZYHUDNBSSA-N 400.737 1.889 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CN(C)C[C@@H]1C 2282837351 UFMBAMBGZXFOIM-WCQYABFASA-N 400.375 1.584 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H](CN)CC3)s2)OC1(C)C 2282851728 GGBFHAVEGGFOCE-JOCQHMNTSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2CC[C@@H](N)C2)OC1(C)C 2282854789 VZDXLVSHIYUXAG-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CCN(CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282876276 ASOKLPRIVCJYMM-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC(C)[C@@H](C)[C@@H](N)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881822 CVTVHFQWJZORSU-OCCSQVGLSA-N 402.391 1.945 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H]2CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284395898 QQUNHLOGCGKXQO-LLVKDONJSA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@@H](CC(=O)O)C3)s2)OC1(C)C 2284404167 XALBVXTVSZYIDH-PHIMTYICSA-N 401.315 1.579 30 10 HDEE CC[C@@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284408361 VPNISVNKEKUXIP-NSHDSACASA-N 403.331 1.745 30 10 HDEE CCCSC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284465921 LWNIKGFTBYTFBC-LLVKDONJSA-N 400.331 1.769 30 10 HDEE C=CCNC(=O)CN[C@]1(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2348405897 LKBCZTDTZYIZFL-LAUBAEHRSA-N 403.479 1.769 30 10 HDEE CSCC1(NC(=O)OC(C)(C)C)CC(O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365201585 ALILRPUPIWGBAV-TZYSRNFLSA-N 420.597 1.292 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@]1(C)CCN1C(=O)OC(C)(C)C 2367823867 JKSFARKISYSAFX-FHLIZLRMSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2367824608 VQSXFIQKSPIMFS-MAUKXSAKSA-N 402.557 1.553 30 10 HDEE O=C(N[C@@H]1CCS[C@@H]2CCC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1 11616668 LVRLSYPNFFBYCZ-FXUDXRNXSA-N 408.545 1.941 30 10 HDEE CN(CC(=O)NC(C)(C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 15817724 PIZDWWPUXLVXBA-UHFFFAOYSA-N 420.535 1.332 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)CC23CC4CC(CC(C4)C2)C3)CC1 52304952 CIQAZHYPRKTLDC-UHFFFAOYSA-N 402.583 1.581 30 10 HDEE C=CCN1C(=O)CSc2cnn(CC(=O)NCc3ccccc3Cl)c(=O)c21 65132926 LKOHFFHZMVMMAX-UHFFFAOYSA-N 404.879 1.838 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 69244828 GXOCEWGHAWNLSU-UHFFFAOYSA-N 407.414 1.194 30 10 HDEE CO/N=[N+](\[O-])CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccccc1 103936535 SXHDIDPBQXVSOK-HBNHWDEFSA-N 404.448 1.742 30 10 HDEE C#CCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 111048393 WCEHAVZJXPVBNQ-SFHVURJKSA-N 400.504 1.550 30 10 HDEE C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[C@H]1C(=O)N[C@]1(C(=O)OCC)C[C@H]1C=C 114662678 NSTKOMXWIKNEJZ-MOIWOSJKSA-N 406.523 1.812 30 10 HDEE C=CCNC(=S)Nc1nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2s1 170551730 BKCULEARCUIJTH-UHFFFAOYSA-N 411.578 1.705 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(Cc3ccccn3)CC2)CC1 410334405 YCGWMVONVREEFK-UHFFFAOYSA-N 405.506 1.844 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)n1 427444986 WQTSLHRPOAIEFB-AWEZNQCLSA-N 400.420 1.837 30 10 HDEE C[C@H]1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS1(=O)=O 429619806 IEACQFJXMMBKQD-LBPRGKRZSA-N 407.883 2.438 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)c1 442295462 RISWMTQYPROLJK-IBGZPJMESA-N 422.441 1.389 30 10 HDEE N#Cc1cccnc1-n1cc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)cn1 460771076 SETAAFRFDSEBOL-UHFFFAOYSA-N 408.443 1.832 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 467697220 QSKQFJVMZBANSR-MRXNPFEDSA-N 418.906 1.917 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)C1 473388771 MCRMJZHLLAGKHN-HNNXBMFYSA-N 422.445 1.604 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1-c1ccccc1C 474333669 XFMCJFOLVRIPOC-UHFFFAOYSA-N 418.522 1.940 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C[C@@H]3CCCCN3C)CC2)c1 501102048 QAZZJZSLRRJXII-IBGZPJMESA-N 420.579 1.393 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 506037508 UEHFXSDFTAAASG-LJQANCHMSA-N 412.490 1.123 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)CC1 524517328 AKGMAFGFDCGZSH-UHFFFAOYSA-N 418.513 1.503 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@H]3CCN(c4ccc(C#N)cc4)C3=O)CC2)CC1 533514284 FJMLYAVYBFGJAT-NRFANRHFSA-N 409.534 1.540 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC(=O)N2C)cc1 544835004 SBTKBXBATYWSMV-DENIHFKCSA-N 419.485 1.830 30 10 HDEE COc1ccc(NC(=O)C2(NC(=O)[C@@H](C)n3cnc(C#N)n3)CCCC2)cc1OC 545272086 CRPFQNUVPPPERA-CYBMUJFWSA-N 412.450 1.796 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccccc4)CCO3)CC2)n1 545510457 JGKSWVREUSLVNX-NRFANRHFSA-N 420.517 1.686 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546172316 MCAIAAXUICAGMT-QGZVFWFLSA-N 405.524 1.196 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2cccc(C#N)n2)CC1 546917346 VHOFZVJANMHLKG-UGKGYDQZSA-N 418.545 1.854 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 549279714 LEIPPXFLXXLIPL-LJCCNALRSA-N 424.567 1.919 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC3CCN(C(=O)C(C)C)CC3)CC2)c1C#N 568457804 NSFBHULWKMJITG-UHFFFAOYSA-N 401.515 1.079 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3nnc(CO)c3C2)n(Cc2ccccc2)c1C 581288873 PPPXSSDVXHVDHN-UHFFFAOYSA-N 419.489 1.563 30 10 HDEE COc1cccc(/C=C/C(=O)[C@H]2C[C@H](NC(=O)CNC(=O)c3ccccc3)CCN2)c1 585828286 QTJYIVDLVCVHCH-XFOPUKRJSA-N 421.497 1.944 30 10 HDEE CCOc1ccc(CCNC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)cc1OCC 586302529 WPPVJJVFZDPHMM-GDLZYMKVSA-N 423.535 1.263 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)N(C)C1(C#N)CCCCC1 609451008 GZLDIIQNTKELKE-HXUWFJFHSA-N 408.506 1.801 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)nc1 609640413 HMJGHCXCVSZWFJ-UHFFFAOYSA-N 416.459 1.625 30 10 HDEE O=C(O)C#CCNC(=O)c1cc(I)ccc1Br 717648519 YTHJEGGELSBVFD-UHFFFAOYSA-N 407.989 1.872 30 10 HDEE COc1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OCC(=O)NC(C)C 732651903 JNECUCGCDZKLAD-QGZVFWFLSA-N 400.479 1.411 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)ccc2OCC(F)(F)F)CCN1C1CC1 732706637 LZXIRAYKHKSVCI-CYBMUJFWSA-N 414.359 1.904 30 10 HDEE C[C@@H](NC(=O)COC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(Cl)cc1 741340865 HIGUURHGKSXCAI-ROHOOWMXSA-N 405.838 1.977 30 10 HDEE CC[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1c(C)nn(C)c1C 742828589 OAIFNFUPCUIIDJ-OAHLLOKOSA-N 403.508 1.733 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 748738026 CCDYDRZYCMCBJU-JDAKFOBDSA-N 410.474 1.572 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2OCC[C@H]3O)cc1 768486245 JJAPMNVJVHGVMJ-QGZVFWFLSA-N 401.444 1.947 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 771788161 IGCJRJUGEORLOH-SFHVURJKSA-N 416.503 1.162 30 10 HDEE C#CCN(C(=O)NC1CCN(Cc2ccccc2C)CC1)[C@@H]1CCS(=O)(=O)C1 774165806 WBYYCZRMFWZYGL-HXUWFJFHSA-N 403.548 1.791 30 10 HDEE C#CCN(C(=O)NCc1ccccc1CN1CCCC1=O)[C@@H]1CCS(=O)(=O)C1 774168369 WERDSBRYPYWBAB-GOSISDBHSA-N 403.504 1.141 30 10 HDEE COc1cc(Br)ccc1C=NNC(=S)NCCN1CCOCC1 781577434 QDUBQMNBQQQKNY-UHFFFAOYSA-N 401.330 1.588 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2CCCn2ccnn2)cn1 784126691 ZNKNXFMUYSNEKW-OAHLLOKOSA-N 416.511 1.185 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCc2nnc3n2CCCCC3)n1 788965013 JZBXFVJSGMOLAT-UHFFFAOYSA-N 413.526 1.625 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)c(F)cc1C 790834539 DOFCCXLAMAUMEI-LLVKDONJSA-N 424.313 1.708 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 801516308 BKZXLSVHSHWTAV-MRXNPFEDSA-N 411.842 1.479 30 10 HDEE CSc1nc(O)c(C(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N 804634459 WCEDSPHZABZKIU-ZIAGYGMSSA-N 420.491 1.891 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(Cl)n1 806325109 CKGDRASNMNHWFA-UHFFFAOYSA-N 418.906 1.991 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2sc([C@@H]3CCCOC3)nc2C)CC1 815439194 GJIKDVDPWRGWQV-MRXNPFEDSA-N 404.536 1.243 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)C1 1116553348 VNSKCQVKKGQBSQ-MOPGFXCFSA-N 417.506 1.847 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1124299694 XEGXLKITENVNIZ-KRWDZBQOSA-N 413.927 1.644 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(c2cc(F)ncn2)CC1 1141254788 FZIDKYYTWYHTKN-AWEZNQCLSA-N 406.462 1.851 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)c1 1141501153 NNKIEKYUMWUITB-INIZCTEOSA-N 416.463 1.095 30 10 HDEE Cc1cc(C)c(CC(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)c1Br 1148392698 FPNKVMDQEVZWSL-UHFFFAOYSA-N 419.279 1.867 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1162121062 FPUWOGKZDJKREX-OALUTQOASA-N 408.433 1.865 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(Br)ccn1 1183598831 CQKCTLUVSASXPD-NSHDSACASA-N 423.292 1.699 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN(C)C[C@H](O)c1cccc(C#N)c1 1195876992 QMQRAFPMTMKZFP-SFHVURJKSA-N 402.476 1.118 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](CN2CCN(C)CC2)c2ccccc2)CC1 1226476627 DPYJSXZYUIDKLK-LJQANCHMSA-N 413.522 1.463 30 10 HDEE CONC(=O)C1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1234608552 QEMHAQRMGXXIPG-UHFFFAOYSA-N 401.467 1.742 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCc1ccc(C#N)c(F)c1 1251895042 ABSPPXKOTVSDBT-UHFFFAOYSA-N 411.437 1.271 30 10 HDEE C=CCOCCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1253543226 UFYXZJPNCGNKGV-OAHLLOKOSA-N 411.499 1.821 30 10 HDEE C=CCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1253543234 UNYSSIUJQXZFRP-INIZCTEOSA-N 412.531 1.784 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@]2(C#N)CC3CCC2CC3)CC1 1264743509 JJPHCQVDPHUXOF-CPAJTMIGSA-N 404.511 1.902 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC(C)C 1286404409 QEINVVXPMCTHQY-UHFFFAOYSA-N 415.519 1.354 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC=CCO1 1286412535 BQBDOZXIXILDLO-FQEVSTJZSA-N 417.517 1.870 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1286449819 ICVUCNRDBXRRIK-UHFFFAOYSA-N 414.535 1.775 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCC)CC2)CC1 1286478568 DMOCNOMYKAEWHK-IBGZPJMESA-N 413.570 1.106 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286500368 WLFBJNLIFRDKFB-MSOLQXFVSA-N 406.515 1.898 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)NCCOC)CC1 1286558861 RIDWSFSKDGGAEB-PKOBYXMFSA-N 405.543 1.801 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1286578373 HRWDDTGBHHKOSM-ZWKOTPCHSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCO[C@H](C#N)C1 1286783639 XQVWVAYYZXMXPQ-CYBMUJFWSA-N 404.833 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1286786501 FGKXUTQFJHZDFS-UHFFFAOYSA-N 422.449 1.452 30 10 HDEE CC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286953552 OWEFFSLBBDZCQO-UHFFFAOYSA-N 406.450 1.334 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCS(C)(=O)=O 1287216342 AGYDGVSFLSDMKD-UHFFFAOYSA-N 417.539 1.429 30 10 HDEE C[C@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288614016 YKBSNEDGKOISBT-ZBFHGGJFSA-N 417.901 1.443 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1cccs1 1292007192 AAWCLJGQADXIGO-OWYFMNJBSA-N 403.504 1.317 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)/C=C\C(=O)c2ccc(C)cc2)c1 1293760889 JKNZJEVILGBPLP-KHPPLWFESA-N 416.499 1.975 30 10 HDEE CCN(CC)CCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(C#N)CC1 1295543393 HETPJMOFEPKMBR-UHFFFAOYSA-N 400.531 1.777 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNC(=O)C(C)C 1295959137 CTBXGBNLCHTWCH-UHFFFAOYSA-N 421.509 1.685 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1297333073 AOPICWBJMZIUQM-ZJPYXAASSA-N 401.488 1.131 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1298690758 NSEAXLJWPYWVGV-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1299483676 GGJVMQCDYXVTTN-ACJLOTCBSA-N 415.519 1.769 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CSc2ccccc2O1 1299899902 JYBPCDDNXVNLAI-ZFWWWQNUSA-N 417.512 1.895 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1300296117 RXUCZLRZLNXCMY-HNNXBMFYSA-N 414.535 1.786 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1300310477 XVJSRLFLVCQNNK-NVXWUHKLSA-N 413.547 1.960 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1300880835 LBDONLRYIPXLEK-QFBILLFUSA-N 414.510 1.549 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1301492587 KORMGCIRJILCQC-STQMWFEESA-N 418.841 1.410 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCC2)CC1 1301505953 CUZDMUNDNJDGKC-UHFFFAOYSA-N 412.513 1.985 30 10 HDEE C=CCOc1ccccc1Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1301529930 ODZAHNDGLVRXES-KRWDZBQOSA-N 424.505 1.162 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301559255 AAGJUNOWQHHKLU-GOSISDBHSA-N 409.494 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@]2(CCOC2)C1 1301588520 GIIQZUMYTAVPIK-VQIMIIECSA-N 410.540 1.737 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1COCCO1 1302335252 RQGUIBOLPPCMBD-BSDSXHPESA-N 419.526 1.731 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC2(CC1)C[C@H](O)CNC2=O 1302838111 YIEISYOHYCXGTF-HNNXBMFYSA-N 406.280 1.353 30 10 HDEE C[C@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(C#N)c1 1305248076 ALJWQOMQHKIUFE-OPAMFIHVSA-N 424.505 1.448 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1308067745 JZZDMVCILRSLBE-GOSISDBHSA-N 417.531 1.067 30 10 HDEE COc1cnc([C@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1O 1308143313 YZQJMQJVMBEBND-CVEARBPZSA-N 402.499 1.020 30 10 HDEE N#CC1(CNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCOCC1 1312405493 WMZNEDRFURNZBJ-RBUKOAKNSA-N 411.506 1.205 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCOC)CCOC1 1314120155 JWVFVAAQXWTUPW-UXHICEINSA-N 407.515 1.723 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccnc(C(F)(F)F)c2)CCO1 1316537147 AVLGKRBMMBPGAT-CHWSQXEVSA-N 421.383 1.420 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 1318037816 RWBOCAYIOOXAKQ-UHFFFAOYSA-N 407.473 1.808 30 10 HDEE C#CCCNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1318472748 XAAPQSPCZXAIPK-AWEZNQCLSA-N 415.309 1.122 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)[C@@H](O)c1ccc(C#N)cc1 1319951844 FHNNHGVYEBWYDH-SJORKVTESA-N 417.462 1.603 30 10 HDEE CS(=O)(=O)N1CCc2cc(C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)ccc21 1354672904 AEAXLWDGAJDNTE-UHFFFAOYSA-N 422.470 1.772 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cnc(OCc2ccccc2)cn1 1357282473 IBBOTUSUVLLVTM-UHFFFAOYSA-N 405.418 1.739 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H]1CCOC1 1358927016 JVYMYJCXLMDQJL-OAHLLOKOSA-N 402.524 1.877 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1358981827 ZDLGFVOYXSOJJH-UHFFFAOYSA-N 411.531 1.602 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1359126264 KPIVJLATRCUZIF-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC(C)(C)OC[C@@H]1C 1359298640 HQLVFDSDMWMGQJ-ZDUSSCGKSA-N 416.482 1.312 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359301884 ORQJDUUSYALMFY-KRWDZBQOSA-N 404.559 1.767 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(=O)n(C)cc3Br)CC2)c1C#N 1435909192 XGKOQJVEAJGBTH-UHFFFAOYSA-N 419.283 1.024 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1439799084 WIZYSUNFSGVZRY-LKFCYVNXSA-N 414.237 1.368 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1445604255 FPIUUPAVYIVXFC-CMDGGOBGSA-N 416.503 1.309 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1452242825 LZAURQJNIYJDHX-UONOGXRCSA-N 422.482 1.520 30 10 HDEE Cc1nc([C@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)[nH]c1C 1455765597 QDIHNBQPNZPATF-OAHLLOKOSA-N 401.492 1.819 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C#N)c1=O 1458137506 FBSUOVDXVSXHPA-CQSZACIVSA-N 422.285 1.826 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2cccc(C)c2)c1 1465778716 JEAYCUOTQKLJTD-GOSISDBHSA-N 401.484 1.962 30 10 HDEE C=C[C@H](O)C(=O)NC[C@H]1CCCN1Cc1ccc(I)cc1 1467498183 UPWAOTDGKGURCT-CABCVRRESA-N 400.260 1.919 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)c(-c2ccc(C#N)cc2)n1 1469756087 JUQSSFCIGUNSSA-AEFFLSMTSA-N 413.503 1.535 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccccc2CC#N)C1 1471777819 BMAXLIHQJWWNSQ-MRXNPFEDSA-N 421.519 1.907 30 10 HDEE CC(C)O[C@]1(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCOC1 1471998391 QKIYVTWUKGBGHE-KUHUBIRLSA-N 409.508 1.204 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCCn1cc(Br)ccc1=O 1475339713 CNDIDTARMZNWTM-UHFFFAOYSA-N 412.265 1.470 30 10 HDEE CC(C)C#CC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@H]3CC[C@@H]1O3)[C@@H]1COC[C@@H]12 1489425749 RIAVRMNTXVEDJN-OBKDMQGPSA-N 400.519 1.679 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1C[C@H]1CCC(=O)N1 1503124610 RMWXPHBRCZJYOI-QZTJIDSGSA-N 410.478 1.543 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504899317 DKNPFIYQUMNXFW-GQIGUUNPSA-N 420.489 1.457 30 10 HDEE CS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1505135015 HHSXTQXZEVHKGV-CRAIPNDOSA-N 421.454 1.277 30 10 HDEE N#Cc1ccc(Cn2c(CCOc3ccccc3)nnc2N2CCS(=O)CC2)o1 1505315813 BWWPANHJXFFVOO-UHFFFAOYSA-N 411.487 1.981 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507592395 TXSZCFQKPPEGCV-MRXNPFEDSA-N 423.477 1.877 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507630615 DDWVTKPTGBXBRC-IKGGRYGDSA-N 417.535 1.451 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1507644378 GMOAETYLJKSENV-UHFFFAOYSA-N 400.442 1.569 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(C)S(=O)(=O)CC 1507649589 ZNLWUQUDDUATEX-UHFFFAOYSA-N 424.530 1.561 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ncn(-c2ccccc2)n1 1507651619 RZOOUCQWQCPBFG-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1507689462 KMVVJUUCHZZAMV-HNNXBMFYSA-N 402.476 1.417 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1cnnn1C 1507711410 BEWSHLVDIGKDAG-UHFFFAOYSA-N 401.421 1.410 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCC[C@H](C)C1 1507713181 AECBLDDOIYYOFB-SFHVURJKSA-N 402.543 1.218 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@]2(C)COCCO2)CC1 1507742774 PXFAIWFWIUKXFH-NRFANRHFSA-N 403.527 1.248 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507793535 AZYGWEZTFDDDHY-OTNPHJDUSA-N 416.570 1.557 30 10 HDEE C=CCN(c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507996467 HJFORYKMTYGHQB-UHFFFAOYSA-N 417.535 1.358 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@@H](SCC)C1 1508071356 IMEHQPBVTJFSBB-MRXNPFEDSA-N 420.583 1.928 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cccn2)C1 1508159748 PTHPTGBQSBEUHF-HOTGVXAUSA-N 417.539 1.250 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1519190506 CNUBLBRJZMKZMD-KKSFZXQISA-N 411.510 1.898 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@](C)(C#N)CN(C)C)c1 1520702504 YLUVYFSFHKXVEW-QGZVFWFLSA-N 400.932 1.943 30 10 HDEE C#CCN(C(=O)Cc1csc(COc2ccccc2)n1)[C@@H]1CCS(=O)(=O)C1 1528599700 CMOOSLPGRARKOI-MRXNPFEDSA-N 404.513 1.914 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OC)c1ccc(F)cc1 1538974132 RBANVUWCSGNIKL-ZQIUZPCESA-N 423.514 1.873 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1538991636 BMSIIBZSSONXDH-KVSKMBFKSA-N 422.493 1.430 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CCCN2CCCO)c1 1539040181 NWQXXNOHCOWHNU-HXUWFJFHSA-N 410.522 1.490 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCc1ccco1 1539179961 URTIYXLCUBLXPS-GOSISDBHSA-N 407.430 1.769 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1539202055 FOANGNXYMWOFEI-HNNXBMFYSA-N 405.524 1.935 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539219880 OBVDKUDZPRHGLC-KSZLIROESA-N 424.567 1.155 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539802407 XELFXQFVCSOONF-GJZGRUSLSA-N 418.947 1.565 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539918334 LEPHMURRLMNBOQ-HUUCEWRRSA-N 424.571 1.350 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1540040014 MCOQEPPZRSWLSM-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1)C1CC1 1540109180 WZSJAFUPQUTXQA-GOSISDBHSA-N 424.505 1.910 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540874248 ZIHPTVVPROWIRU-QGZVFWFLSA-N 410.522 1.423 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1540913754 RVNDUJAFTZWJIH-INIZCTEOSA-N 403.556 1.950 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)Nc2cc(C#N)ccc2O)C1=O 1546334223 BUAMPCQNYLFORA-CQSZACIVSA-N 402.451 1.966 30 10 HDEE CCCN(C)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1547100458 IDPYVVQHLSPTBB-CRAIPNDOSA-N 411.510 1.910 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1555560424 JDYHZKLQLJYBFJ-NRFANRHFSA-N 415.494 1.721 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H](C)OC 1555641336 XXHKDSVKCYFFAU-KGLIPLIRSA-N 416.482 1.572 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H](C)C1 1555753518 QJEXJAMSGZAFAR-VJANTYMQSA-N 418.542 1.463 30 10 HDEE C=C(C)CONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1557326764 XYDRMRXIWDJSTK-UHFFFAOYSA-N 423.535 1.540 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N[C@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 1566264060 PKFASUGHRGCMCQ-YAINUAMHSA-N 407.470 1.453 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c(F)c1 1585573850 KROZHXCZNRKFNP-LBPRGKRZSA-N 419.434 1.467 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2c(C#N)c(C)nn2C)C1=O 1585832678 LYDWLEKYOFVOKC-FQEVSTJZSA-N 410.434 1.323 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCOC[C@@H]2CNS(C)(=O)=O)cc1OC 1587457290 XGYYYTVQSNWZIB-BVBGJJFLSA-N 410.492 1.050 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCCNS(=O)(=O)CC 1587969947 KTBGFFSFPYBXDI-UHFFFAOYSA-N 414.535 1.836 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cn1c(=O)n(CC)c(=O)c2ccccc21)C(=O)OCC 1588121849 JGORVRPVGFOHCJ-CQSZACIVSA-N 407.854 1.374 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc21 1588638203 PLKPXCCIWWAPSO-PKOBYXMFSA-N 422.533 1.766 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(Cl)cc2)n1Cc1ncn(C)n1 1588696522 MBSZHMSJSSZTRK-UHFFFAOYSA-N 415.885 1.773 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1593636095 GBDKDFGBKLSPKV-DOTOQJQBSA-N 420.539 1.551 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1593704486 XRSGNFAUQXXVPO-UHFFFAOYSA-N 404.559 1.704 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C)C1CC1 1595058986 ZOKUOJOLWMXTLQ-QGZVFWFLSA-N 421.523 1.716 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1Cc1c(CC)nn(C)c1OC)C1CC1 1595065569 TYKRNWVXTRBXDF-UHFFFAOYSA-N 413.526 1.908 30 10 HDEE C=CCn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1[C@@]1(OCC)CCOC1 1595452816 CTPQBAMNGQNXJB-CBGDNZLLSA-N 421.542 1.484 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(NC(=O)C(C)C)CC1 1595545233 SHBOUHCJKGAARO-UHFFFAOYSA-N 402.543 1.979 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1595901285 RQCTVYKPYFMJJF-UHFFFAOYSA-N 424.571 1.308 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)N2 1597900838 TVXQGLORXHKOSF-IBGZPJMESA-N 407.426 1.988 30 10 HDEE CCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1615531995 HOCGNPIFGLJWRK-KIJUOZEOSA-N 400.483 1.545 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c1 1617038393 FGAOFUWILUTIRO-OAHLLOKOSA-N 416.421 1.719 30 10 HDEE CN(CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1618225376 DMZBSQSTYQRELI-RBUKOAKNSA-N 423.521 1.875 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1625177880 XFNMYQQOXSBMPI-IAGOWNOFSA-N 403.454 1.255 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nnc(N)s2)c1 1626103928 GHLRRFIWYQMPFE-HYARGMPZSA-N 422.536 1.895 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)CC2=O)cn1 1626963151 XIAWESFHHNKJMB-QUCCMNQESA-N 423.473 1.354 30 10 HDEE COC(=O)[C@@H](C)Sc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627136995 QBTFQANSOVTKDR-FHSNZYRGSA-N 408.501 1.351 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1628370692 ZIOWTJXIJFDTGG-SECBINFHSA-N 404.732 1.970 30 10 HDEE CN(C[C@H](O)CN1CCOCC1)C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1629523435 XZCHLHRCKCPRKL-IRXDYDNUSA-N 412.531 1.115 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[C@]1(C#N)CC12CCCC2 1630189182 CAJFHZFGEARXJB-GOSISDBHSA-N 406.464 1.806 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCC[C@@H]3NS(C)(=O)=O)n[nH]2)c1C 1630585544 PSBNGTXCDOXZGG-GJZGRUSLSA-N 420.539 1.524 30 10 HDEE C#CCN(C(=O)NCCc1coc(-c2ccc(OC)cc2)n1)[C@H]1CCS(=O)(=O)C1 1630719840 MOWJJETZZUOLQH-KRWDZBQOSA-N 417.487 1.725 30 10 HDEE COc1ccc(Cl)c(N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)c1 1632025450 XUJOJDWVMLGVJZ-FMQUCBEESA-N 418.881 1.914 30 10 HDEE N#Cc1ncn(CC(=O)NCc2cc(Cl)ccc2I)n1 1632776032 UTKOWFYKZKZTGY-UHFFFAOYSA-N 401.595 1.724 30 10 HDEE C[C@H]1COCCN1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633002048 JHAWFDLCFXGBTE-DILDSAGESA-N 406.527 1.610 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2cc(OC)ccc2Cl)CC1 1633522696 OGOWRDOAZUDIBX-UHFFFAOYSA-N 401.916 1.781 30 10 HDEE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CCN(O)C1=O 1636352964 PKJKNXXUQHBLFV-VWLVURMCSA-N 409.464 1.523 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCO2)cc1 1636740270 AAADHGAQOCHEGJ-AWEZNQCLSA-N 405.398 1.618 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1639988973 BMRJOAXCRVGJQM-WYRIXSBYSA-N 401.492 1.587 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2ccccc2Sc2ccccc2)c1=O 1641282992 XBCBQVHVYUTNGN-UHFFFAOYSA-N 422.466 1.664 30 10 HDEE N#Cc1cn(CCNC(=O)C/C=C\c2ccc(Br)cc2)c(=O)nc1O 1641970274 FHRJWKVTJPTQHD-UPHRSURJSA-N 403.236 1.803 30 10 HDEE C=CCC1(O)CN(C(=O)CNC(=O)c2ccccc2I)C1 1645229909 LOMYREDHJHGIMZ-UHFFFAOYSA-N 400.216 1.170 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2Cc3ncccc3N3CCC[C@H]3C2)cc1 1646918235 PQCKYVAAUDAVIC-SFHVURJKSA-N 410.499 1.879 30 10 HDEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 1647827671 FDRALFHEABXPLM-OAQYLSRUSA-N 416.547 1.244 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1648155467 HXLZBENRJKKOAZ-CNNODRBYSA-N 423.494 1.554 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCN(C)CC3)CC2)cc1 1648952191 VDDORXIZODHWLT-UHFFFAOYSA-N 406.552 1.003 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](O)C3CC3)nnc12 1649134624 GEFMCBSUZPTFRN-INIZCTEOSA-N 413.503 1.600 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CS[C@H]2CCCS(=O)(=O)C2)CC1 1656944443 QASWHNRWZJEPGC-LSDHHAIUSA-N 413.590 1.767 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1664869841 AMODQVSEELVXTF-INIZCTEOSA-N 414.549 1.304 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1 1669909115 XQCXBZRZBHGCCG-UHFFFAOYSA-N 408.886 1.662 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1670502783 XFIKRZRFFDXFND-UYAOXDASSA-N 420.531 1.993 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2cc(NS(C)(=O)=O)ccc2OC)c1 1672088717 USZIOVIBKVUMBN-UHFFFAOYSA-N 416.459 1.808 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1680687667 WLKCZIWEYMOHIH-GFCCVEGCSA-N 410.414 1.985 30 10 HDEE Cc1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(N2CCCC2)n1 1682340053 GATLHYCUEKOXNQ-QFBILLFUSA-N 403.508 1.070 30 10 HDEE CO[C@H]1COCC[C@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682725941 QOMKGTSURWIXOD-KXBFYZLASA-N 412.494 1.609 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)nn1 1683315266 MCTVDAWKYVFDSW-CYBMUJFWSA-N 408.384 1.784 30 10 HDEE C#C[C@@H](NC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1683680401 BPFUBDCUYFSPDE-LSDHHAIUSA-N 414.325 1.799 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CC1 1685575220 SHXRPLADNOLJIT-QGZVFWFLSA-N 407.478 1.554 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1689980330 PTJCBKAHPBPRAM-HNNXBMFYSA-N 421.567 1.248 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)CCCC)[C@H]1CCS(=O)(=O)C1 1689988121 JPSLXTNLZIONKR-KRWDZBQOSA-N 418.567 1.632 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1689998705 UHGQCUJNPOUYLT-TVKQPGBESA-N 422.551 1.307 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1690060750 HBLAWJOELYRBJI-IERDGZPVSA-N 403.527 1.693 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1690067777 KEBCSLOAMPMBEF-UHFFFAOYSA-N 404.474 1.812 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCc1n[nH]c(C)n1 1690107967 KBVJODOZCZVQCD-SJLPKXTDSA-N 415.542 1.952 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690168063 VHGZGIJMCWFPMR-MRXNPFEDSA-N 413.507 1.919 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690169954 UILXUTBBENMDBJ-UHFFFAOYSA-N 415.567 1.286 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC(=O)NCc1ccco1 1690187920 ADXJBQIQQQUREY-OAQYLSRUSA-N 410.478 1.416 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C1CCC2(CC1)OCCO2 1690667982 OPMOKMHSHYLOGV-UHFFFAOYSA-N 412.494 1.764 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](C)(C(N)=O)C2)cc1 1690680029 GXCWRRRLMSJIKJ-VGSWGCGISA-N 424.505 1.544 30 10 HDEE CC[C@]1(C)CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)O1 1694425839 DKWZSHYIDOUSJZ-OIPACUDHSA-N 412.560 1.974 30 10 HDEE CO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697654710 GTUDTZKKRQUZNY-OCCSQVGLSA-N 408.484 1.016 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1698079661 RUJKBBXBFXWBPI-CSODHUTKSA-N 416.526 1.755 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCC(OC)CC1 1698172072 UKXXLHXENKWRLN-AQEOSJORSA-N 407.515 1.936 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)nc1 1698172089 UPOSVQOHZIUWQZ-GOEBONIOSA-N 402.455 1.183 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1705509538 JWTLWPXZRAEYFD-UHFFFAOYSA-N 406.490 1.915 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1705581972 PQUTUGWZCIMABH-FQEVSTJZSA-N 420.517 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCOCC1 1705601458 JZNLPYQOGOCOMJ-UHFFFAOYSA-N 423.565 1.715 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)COCC)CC1 1705647522 GAHKMDAAJBJQHI-GOSISDBHSA-N 417.554 1.811 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1705662997 SHQMNVMUCHLOEM-FUHWJXTLSA-N 401.536 1.870 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO 1705667496 MZMRCLVFJFQCJA-PGRDOPGGSA-N 414.554 1.353 30 10 HDEE C=CCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1705811361 WPTORXVENJCFDI-QGZVFWFLSA-N 418.542 1.265 30 10 HDEE C=CCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1705817833 UEOULNHTAXKWFG-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705894353 WEZHUMYPZYQFKF-LSDHHAIUSA-N 420.514 1.487 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOC[C@@H]1C 1705938141 OBSFWAFGSLCMDP-KRWDZBQOSA-N 420.535 1.726 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1706590865 WJZMCJOCPZWOBQ-OAQYLSRUSA-N 413.526 1.557 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)CCOC1 1710456447 BBXYVUAJVACMKP-PWIZWCRZSA-N 423.489 1.568 30 10 HDEE CN(CCn1cccn1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1711215519 KZACMTXXPXJJOF-WUKNDPDISA-N 412.498 1.435 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C1 1711317265 ACXNOSVLKLAPLB-OXJNMPFZSA-N 400.458 1.764 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1711594777 PYXYWZCBAQQDAL-HXUWFJFHSA-N 407.482 1.899 30 10 HDEE COC[C@H](F)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712165018 SYYCOZAYCSEICV-OAHLLOKOSA-N 404.494 1.626 30 10 HDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1712397029 AHJSIDGDALICKY-UHFFFAOYSA-N 424.509 1.030 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1722280874 XJVUTVDGAXAQQO-CHWSQXEVSA-N 409.487 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1722291831 FGPZGJCURQXUFW-ROUUACIJSA-N 406.527 1.842 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722341404 FDXWZENLADGMNZ-UHFFFAOYSA-N 424.505 1.099 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722367944 NRBXGTJCDCJOTJ-DLBZAZTESA-N 417.535 1.678 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722368253 QCGPJXDXUZQFBE-YLJYHZDGSA-N 402.520 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCC1 1722389636 KZIYPSRCPUNFMM-MRXNPFEDSA-N 407.540 1.046 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COC)C1 1722495490 XHQIXGFRMQJVHH-BZSNNMDCSA-N 403.527 1.968 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1722565365 ZMPQXUFDWHGQOR-FQEVSTJZSA-N 424.567 1.911 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCNC(=O)[C@H]1CC 1722700909 YNOOLKRIIQSRIC-MRXNPFEDSA-N 400.458 1.025 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1722701011 CFOSKPVDOSWLET-DLBZAZTESA-N 417.535 1.617 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCCC2)C1 1722714950 QDNKYKKJGKJUNY-SJORKVTESA-N 402.543 1.885 30 10 HDEE CC(C)Cc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1Cc1ccc(C#N)o1 1723328578 CYHVNLRLFKPGQL-GOSISDBHSA-N 412.494 1.817 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1728801739 DXVJOMXEGQQQDP-OALUTQOASA-N 400.487 1.237 30 10 HDEE COCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1730510310 CYKUIWZQDSMFGJ-MAUKXSAKSA-N 424.571 1.835 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCCO[C@@H]2CCOC2)C1 1731181178 GTYNVQSGTQGXDS-YLJYHZDGSA-N 400.458 1.901 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1740556648 VBFAMVLNMRQFOE-OAHLLOKOSA-N 416.489 1.961 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(N)=O)c1 1740558301 RQBNBNQDIQKFLE-CQSZACIVSA-N 422.514 1.875 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1740626416 UQWQCMQQWGIVCJ-AWEZNQCLSA-N 413.425 1.453 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@H](C)OC)CC1 1740692176 FPVCJDIISNWIMR-ZDUSSCGKSA-N 407.316 1.826 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2Cc2ccn(C)n2)CC1 1740708303 KXSKECKWUMFOBU-UHFFFAOYSA-N 409.538 1.758 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1740864658 COZAUFOEDQTZEL-QGZVFWFLSA-N 400.527 1.958 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C(C)C)C1 1740981246 OMBLIODWLOXISU-IRXDYDNUSA-N 411.572 1.302 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C2CC2)C1 1740995010 XGUFJHPFKNOMPO-MRXNPFEDSA-N 407.540 1.238 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1741571806 HFJHGKMZFAQSSM-ZWOKBUDYSA-N 406.506 1.581 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1746283397 KZSVWJMJGNGRHZ-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC#N 1747432853 GHIRGOXXOFXVHV-HNNXBMFYSA-N 415.523 1.885 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1748672316 RTKJNOIBTBDAKW-LSDHHAIUSA-N 415.585 1.212 30 10 HDEE C#CCCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1748698679 IQTLKVNYRBDXKZ-MRXNPFEDSA-N 400.527 1.522 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1C[C@]1(O)CCN(C)C1 1748779963 ZMKKFPDDRSSOJY-SFHVURJKSA-N 422.302 1.983 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1748802807 KIDXBZVRMKBDRY-GASCZTMLSA-N 400.487 1.410 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1748805493 SMXBWNVZNFLGGT-XWTMOSNGSA-N 424.567 1.846 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748818268 YKZVOKSVAXMRTA-CABCVRRESA-N 414.478 1.454 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccnc1N1CCOCC1 1748839210 PULIZAGONULQJQ-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1749459765 REDVHWSJTWODTB-UHFFFAOYSA-N 400.483 1.745 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O 1749546633 CXLLLTBNYZKOPL-INIZCTEOSA-N 423.514 1.663 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1749578920 IUNTVWFHERZVIW-SFHVURJKSA-N 408.549 1.658 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H]1c1nncn1C 1749669010 BOAKNLJCDZXCRW-HUUCEWRRSA-N 400.487 1.292 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1749734295 IMBASEWMUADVMA-UHFFFAOYSA-N 423.583 1.813 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2CCC2(O)CCOCC2)CCO1 1750385863 CDLRLULENFQENX-HNNXBMFYSA-N 401.442 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCNS(C)(=O)=O 1760120935 RFXDOPWILJUHDW-HNNXBMFYSA-N 405.524 1.079 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2nnc(C(C)(C)C)s2)CC1 1760258629 ADSSJGJIYFCQIJ-HNNXBMFYSA-N 415.567 1.735 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CCOC)CC1 1760258860 TXBYXIJNTAJWJW-QFIPXVFZSA-N 408.506 1.359 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(NC(C)=O)nc2)CC1 1760259792 QDNKPDQOPPKEHO-IBGZPJMESA-N 423.521 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(O)c2)CC1 1760269800 PDKJWPBGEATTLX-LJQANCHMSA-N 423.517 1.892 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1760356143 GUZMTAYXIFRUGC-DLBZAZTESA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)C[C@H](C)C(=O)NC 1760529120 XNXIDRKTTAEYGG-ZMSDIMECSA-N 420.558 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1760554341 AKWDKJKMMSPOAN-LJQANCHMSA-N 412.556 1.463 30 10 HDEE CC(C)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1761124619 RTUBNEHULWTMHE-HOTGVXAUSA-N 412.494 1.988 30 10 HDEE Cc1nnsc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1761640542 CDPOMCRTDRPBGW-CYBMUJFWSA-N 415.454 1.933 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1762714717 HUUGZYPDMQXQEO-GASCZTMLSA-N 402.524 1.848 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@H](C)C1 1769324830 DDQBZKJXFMOXNL-MRXNPFEDSA-N 411.510 1.110 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](COC)OC 1772522865 SQSFXFXYFSOUGC-GHTZIAJQSA-N 422.493 1.574 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(-c4cccnc4)[nH]n3)CC2)nc1 1852012571 JJQDJFYKWSUPFG-UHFFFAOYSA-N 403.446 1.717 30 10 HDEE CN1CCN(c2cc(Cl)nc(NC(=O)c3cnc4c(c3)c(C#N)cn4C)n2)CC1 1852045176 QCUWIFPZXSOMSX-UHFFFAOYSA-N 410.869 1.892 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccccc2)CC1 1853535441 OUNFPKYUGSUWCC-UHFFFAOYSA-N 406.552 1.640 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1853676469 MBJHRUNTNGBDJZ-KRWDZBQOSA-N 423.579 1.750 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C[C@H]4CCCO4)C3=O)CC2)CC1 1853733335 VCSGBLQDBAHFIC-RTBURBONSA-N 416.522 1.157 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCn2ccnc2CC)C1=O 1853788967 XWKDGWVUTIBCPB-SJORKVTESA-N 401.511 1.072 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2OCCc3ccccc32)C(=O)C12CCCC2 1854424361 MFBSQBZIGMNHGP-QGZVFWFLSA-N 417.487 1.137 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)CC3CC(=O)C3)C2=O)CC1 1854865457 IPCJBBPOVQMPHS-LJQANCHMSA-N 410.474 1.541 30 10 HDEE CCc1nccn1CCC(=O)N1CCN([C@@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854997987 KSGMRPDDPGRFDB-ZWKOTPCHSA-N 400.527 1.273 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(Cc3nnco3)c3ccccc32)CC1=O 1855370269 PKPSSFXGEAEEAY-HUUCEWRRSA-N 409.446 1.620 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3cc(F)cc(F)c3)CC2)CC1=O 1855552272 BXSHCKINYLWOHF-ZDUSSCGKSA-N 411.430 1.654 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1855642999 WUFFZKDTMYUIMT-SFHVURJKSA-N 415.515 1.590 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855740094 NZYTXKZBKKBQTE-WBVHZDCISA-N 400.479 1.074 30 10 HDEE CC[C@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(C#N)cc3)C2)CC1=O 1855845711 ZFHGELLGISEHOG-RDJZCZTQSA-N 418.519 1.038 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)CCc3scnc3C)CC2=O)CC1=O 1856143816 ADOYNDJUPZUISC-HZPDHXFCSA-N 404.536 1.335 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCN([C@@H](C)CCC#N)[C@@H](C)C2=O)c1C 1856283362 ULNRFIYVYXTGJN-HOCLYGCPSA-N 410.478 1.950 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)cc1 1856537772 RMPYBRMAMFVKDK-HXUWFJFHSA-N 408.502 1.215 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCN(CC(F)(F)F)CC3)CCC2=O)ccn1 1856870137 UXJKICGDZMSOHE-CQSZACIVSA-N 409.412 1.512 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)COc3ccc(OCC)cc3)C(=O)C2)C1 1856918713 VYAPTMMNNJPHNN-GOSISDBHSA-N 401.507 1.785 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C1CC(=O)C1 1857020566 IHMLIHHVNOBYSP-OAHLLOKOSA-N 402.472 1.811 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N(CCO)[C@@H](C#N)c3ccc(F)cc3)ccc21 1857961186 YTGRQKCTGQEXSK-SFHVURJKSA-N 403.435 1.592 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)CCCc2ccc3c(c2)OCCO3)c1 1866789317 LCPTYMGSTPSMDZ-GOSISDBHSA-N 409.442 1.768 30 10 HDEE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)ccc21 1867204693 VKPFUDCRFZRNFE-KRWDZBQOSA-N 406.442 1.542 30 10 HDEE C=CCN(CC=C)c1nc(=NC(=O)c2ccc(F)cc2)n([C@H]2CCS(=O)(=O)C2)[nH]1 1870002907 ZOOYBVIOYBUOOG-INIZCTEOSA-N 419.482 1.629 30 10 HDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871711124 BEYPBHGEQGBFHK-UHFFFAOYSA-N 400.483 1.427 30 10 HDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)ON1C(=O)c2ccccc2C1=O 1878008385 JUCYEDKXKGPHPO-RBSFLKMASA-N 420.418 1.390 30 10 HDEE C#CCOC1CCN(C(=O)CN(C)c2nc3c(S(C)(=O)=O)cccc3s2)CC1 1891084259 PSZKXBHNWYNHSR-UHFFFAOYSA-N 421.544 1.777 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985177857 DEQGXVQWRFRNTI-MOPGFXCFSA-N 416.522 1.889 30 10 HDEE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(C#N)CC1 2054404947 XTLHSZYYOWXHLI-ZWKOTPCHSA-N 406.508 1.856 30 10 HDEE Cn1nc(Br)cc1[C@@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2074364473 MZKUXUUXWIPXHK-WCQYABFASA-N 413.320 1.627 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(O)CC1 2174917272 DUNJTLCUFPLXTP-UHFFFAOYSA-N 401.529 1.023 30 10 HDEE CN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@H](CC#N)C(F)(F)F 2197779612 VFWSMXCVOQLONM-WDEREUQCSA-N 413.418 1.323 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243370844 SYPOKYPXGRGNAD-HUUCEWRRSA-N 403.288 1.776 30 10 HDEE CO[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243393983 BLXQNVUMZGPSLZ-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE CC[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247838201 DXEZDSMXPZYJRC-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@@]34C[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2255843980 OQUDCEXRLUYJMT-GAJHUEQPSA-N 420.322 1.780 30 10 HDEE C=CCC1(CO)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2259487185 CVOIZMRYDPKNQK-UHFFFAOYSA-N 406.504 1.653 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(O)CCSC2)OC1(C)C 2267368143 FATGTCMXAVGQOB-OAHLLOKOSA-N 405.372 1.194 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3C[C@H]3CN)cc2Cl)OC1(C)C 2267705701 KPGQVMWNRPYLEW-UWVGGRQHSA-N 406.766 1.574 30 10 HDEE C[C@@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267726941 FWVKKJNGDNDUGP-VKTRGTBVSA-N 408.376 1.181 30 10 HDEE Cn1ncc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)c1Cl 2282331948 UDNVIAAUKFCABJ-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC[C@]1(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCCNC1 2282333332 NBZVQNLFBUHEAM-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CO[C@@H]1CCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282500771 NMNBVLOQFIBXNW-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505654 HEQMKBIKHVYDPF-TZMCWYRMSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCOC(=N)O)OC1(C)C 2282506968 ZVRPDQXDFINPOJ-UHFFFAOYSA-N 404.681 1.427 30 10 HDEE CCC1(O)CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282510139 VCKFMTKYKDHYER-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282663481 QFNCBDDROMZUQU-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CN[C@H](C)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282841314 UCQDKAPTIQCTEM-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE C[C@H]1C[C@H](O)[C@H](C)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282849543 COYFOFJQFYSYSA-DYEKYZERSA-N 401.359 1.827 30 10 HDEE CC1(C)C[C@H](N)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870355 QNZOERNUYGBBAQ-GFCCVEGCSA-N 400.375 1.938 30 10 HDEE C[C@H]1CO[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876941 KRYPXGZSSRREAE-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](Cc1cccs1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284398053 TUXCQNWJJITQGJ-ZDUSSCGKSA-N 401.315 1.851 30 10 HDEE C=CC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402423 JAFDQFKAMAUXQH-LBPRGKRZSA-N 401.315 1.496 30 10 HDEE C#Cc1ncccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2346033408 GGKGHEIDQSZASZ-KRWDZBQOSA-N 417.443 1.273 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365198977 KJJBGWKKLAXSEY-DJJJIMSYSA-N 401.525 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365199166 LVDOBHMSECPJNZ-ILXRZTDVSA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](OC[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367789758 SEWAHVFFPBBXOD-HZPDHXFCSA-N 400.541 1.701 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 2367818818 NUSDIIQDVAADNW-HOTGVXAUSA-N 400.541 1.163 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2373187298 SWVUTCIEWSDLEI-KDOFPFPSSA-N 402.513 1.516 30 10 HDEE C=CCSc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2N)s1 59044464 OOHLJCGPEYJPLK-UHFFFAOYSA-N 406.522 1.914 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2ccncc2)n1)NCc1ccc2c(c1)OCO2 59311046 CDJPZZTVFVFAKI-ZVBGSRNCSA-N 411.447 1.783 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 111224057 MLGZJRFYKRVNEN-FQEVSTJZSA-N 418.563 1.780 30 10 HDEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1CCN(C)CC1 253579314 ZMHWKVVNBVBUGO-UHFFFAOYSA-N 412.523 1.123 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc3c(cc2Br)NC(=O)CO3)C1=O 410113156 NPXVUZUNJREAQJ-CYBMUJFWSA-N 408.252 1.639 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 437477351 TXVITBHOGHPXIM-WKULXVSPSA-N 412.552 1.194 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1[C@H]2CC[C@H]1[C@@H](C(=O)OC)[C@@H]2C(=O)OC 440223826 DJEBWYDTEIDQJM-CWLKWCNXSA-N 402.447 1.886 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)[C@@H]4CCCC[C@@H]43)cc2C1=O 440700386 ZZROJRYLDPDYMB-DLBZAZTESA-N 402.472 1.650 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)n1 441802038 NQOBVNVUWOBZQK-LBPRGKRZSA-N 422.898 1.930 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1nc2ccccc2oc1=O 465121228 MHGYNNIMBHUYQT-CQSZACIVSA-N 404.430 1.520 30 10 HDEE CCn1c(=O)oc2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 466971800 WRVLFCIOCALTBR-UHFFFAOYSA-N 410.415 1.868 30 10 HDEE N#Cc1c(CCCNC(=O)C2CN(CC(F)F)C2)nn(-c2ccc(F)cc2)c1N 469510156 IMAIWJNYKYJSSR-UHFFFAOYSA-N 406.412 1.711 30 10 HDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC[C@H](NC(N)=O)C3)c2)c1 476662644 JHGSWOARYAYQIN-KRWDZBQOSA-N 407.430 1.345 30 10 HDEE CCN([C@H](C)c1ccc(C#N)cc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480466707 LRLAQAOYTZLFKZ-OAHLLOKOSA-N 413.565 1.943 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)CC1 486476189 ZLMRFGJCDBCKMF-MRXNPFEDSA-N 414.491 1.375 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)ccc1F 488756619 DTPHEXCUJZLMMO-CQSZACIVSA-N 412.240 1.965 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 508908592 UQBMBLGFAZVXMS-MRXNPFEDSA-N 408.466 1.522 30 10 HDEE COC(=O)[C@@H](C)CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1 512449187 CSRTUCUQRIWPNC-FPOVZHCZSA-N 414.550 1.990 30 10 HDEE N#Cc1cccnc1N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 517874309 WRHASGWVJYOJPZ-UHFFFAOYSA-N 422.445 1.660 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CN3CCc4ccccc43)CC2)C1=O 518957812 ZSTZYWXQMMEORO-UHFFFAOYSA-N 410.474 1.265 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2sccc2OC)c(=O)n1-c1ccc(F)cc1 531938499 YTZHYIPMBAYARS-UHFFFAOYSA-N 415.471 1.357 30 10 HDEE COc1ccc(CN2C(=O)N[C@@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1C#N 532619028 KWEBERRHNOYZTH-FQEVSTJZSA-N 403.402 1.510 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2CC)c1=O 532799890 FIILDNYDJRDLLF-UHFFFAOYSA-N 414.531 1.425 30 10 HDEE Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)[C@@H](C)n2cnc(C#N)n2)c1C 539505828 ONNRUGZXCRBBNX-SJORKVTESA-N 410.478 1.974 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCC(O)(Cc2ccc(OC(F)(F)F)cc2)CC1 540835647 UKERXGFPERNTQV-UHFFFAOYSA-N 415.412 1.966 30 10 HDEE COC(=O)c1cn(C2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)nn1 546075436 LJUVPEZGNSSCAE-UHFFFAOYSA-N 409.855 1.616 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546800812 CSCBYMDDSACRSG-HDICACEKSA-N 410.584 1.522 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 554257225 MXSZKXPOERWDMK-OAQYLSRUSA-N 411.550 1.461 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 554287536 CJTSZALWGOZSCO-RBUKOAKNSA-N 404.470 1.683 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 558122267 MSOUXVQVTUWXML-UHFFFAOYSA-N 410.474 1.416 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(F)ccc2C1 565626645 PZFYPXJZILFSQI-KRWDZBQOSA-N 421.498 1.499 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCc2ccccc2Br)n1 574026621 PHFNXDSRYHTCLZ-UHFFFAOYSA-N 404.268 2.396 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC1(C#N)CCC1 582324249 JUXFKJLXFAQICK-UHFFFAOYSA-N 406.508 1.197 30 10 HDEE COc1ccc([C@@H](NC(=O)N(C)CCCc2[nH]nc(N)c2C#N)c2nccn2C)cc1 584251016 CLTXNVJENNKQBY-GOSISDBHSA-N 422.493 1.969 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)NCc3ccco3)cc21 586314624 QHHJWPYQJZTGDE-LJAQVGFWSA-N 416.455 1.439 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586863728 YXHATDZQBVMGSJ-WMLDXEAASA-N 402.470 1.857 30 10 HDEE CN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCCN(c2ccccc2)C1=O 586864029 IDNGTDILTIDAFS-IBGZPJMESA-N 408.433 1.968 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)C(=O)Nc3scc(C(C)(C)C)c3C#N)CCN2C1=O 590235708 FHQHUFXIQSQTFP-CYBMUJFWSA-N 417.491 1.351 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(CC(=O)NCCN2CCc3ccccc32)CC1 603875918 JIIADTTUURFKDO-UHFFFAOYSA-N 420.517 1.725 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 604002774 YVDILBKAARZPTA-UHFFFAOYSA-N 418.503 1.614 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(C)c3ccc(C#N)cc3F)CC2)cn1C 609216241 GFQGZEPPCBVXOL-UHFFFAOYSA-N 419.482 1.803 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCCCN3CCCS3(=O)=O)cc2)nc1 609517130 NJMVAIBCTLFKHH-UHFFFAOYSA-N 400.460 1.901 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NCc1ccnc(C#N)c1 610956644 JFMMPGUCKWNRQZ-UHFFFAOYSA-N 402.476 1.985 30 10 HDEE COC(=O)c1ccc2c(=O)n(CCS(=O)(=O)c3cccc(C#N)c3)c(C)nc2c1 611080606 QNKONHOSWLXDRC-UHFFFAOYSA-N 411.439 1.837 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccc(OC)n4)CC3)cc2C1=O 617083233 KQXKSTGUCRFZHZ-UHFFFAOYSA-N 407.430 1.230 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@H]3CCCN3C)nnc12 620219641 BKKZWBDSYFYCLB-AWEZNQCLSA-N 412.519 1.533 30 10 HDEE C=CCNC(=O)CN1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 684622469 ZVAAMXYFKGXKBH-UHFFFAOYSA-N 401.898 1.369 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@H]1CCS(=O)(=O)C1 729331237 ABGYHWSPVLNHIO-HOTGVXAUSA-N 404.488 1.005 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 731619960 ZVNMTWBBLLTORT-YNEHKIRRSA-N 407.330 1.121 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CS(=O)(=O)NC(C)(C)C)C1=O 731643543 HJHKSLGUJXUXOH-QGZVFWFLSA-N 404.533 1.407 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Br)c1 731850992 BLGHUJKVKJHCMT-PFONDFGASA-N 414.281 1.562 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732462033 DKSCTXVCGRYWAO-HYEKCJMVSA-N 421.498 1.459 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C[C@H]1CCCO1 739829255 DYXDSKDHFVXSKZ-CQSZACIVSA-N 416.846 1.677 30 10 HDEE COC(=O)[C@H](NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(C#N)cc1 740001427 SRGHSOZUOQHYGY-LJQANCHMSA-N 421.519 1.335 30 10 HDEE N#Cc1ccc(C(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 748262937 YFRWKLYBUPAZMA-NRFANRHFSA-N 417.421 1.760 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2c(O)nc3ccccc3c2=O)[C@@H](C#N)C1 749521644 VNHWZGPNZKEGQE-ZDUSSCGKSA-N 413.434 1.074 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1=O 749533094 IOFUXIOPAMWURL-PZJWPPBQSA-N 423.561 1.976 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)Cc2csc(N3CCCC3=O)n2)CCCCC1 760408426 JVLOBVCBUZWAQR-UHFFFAOYSA-N 410.521 1.732 30 10 HDEE C#CCN(C(=O)NC1CCN(CCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774165887 XNGIUYWIQKMWGB-HXUWFJFHSA-N 403.548 1.525 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774261687 CKKCCFCEZMYCET-OLMNPRSZSA-N 411.474 1.542 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)cc1 778768944 ZIQAFNASNXKWCO-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1 780257431 YRLYMLNBPOYVMY-JLTOFOAXSA-N 419.434 1.015 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc1 780889175 XJGOWUJOUKSDTJ-UHFFFAOYSA-N 406.489 1.216 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)CCC(=O)Nc1nnc(C2CCCCC2)s1 786791945 DUUOIJLPFGMVSF-UHFFFAOYSA-N 423.495 1.860 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(-c3ccc(F)cc3)ccc2=O)n1 788813392 FUQPLZQWKKCPJF-UHFFFAOYSA-N 409.421 1.490 30 10 HDEE C=CCN=c1scc(-c2cnn(C)n2)n1N=Cc1c(Br)cnn1C 789969745 HNQAKPCKQHJNFG-UHFFFAOYSA-N 407.301 1.810 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OCC#Cc1ccccc1 791315956 RGXMINCVABBAJK-INIZCTEOSA-N 414.483 1.650 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NS(=O)(=O)CC1(C#N)CC1 793205490 WVDRKYFZGSWDSO-KRWDZBQOSA-N 403.504 1.736 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)c1ccc(F)cc1 794893947 SHNYFACYCRAMEC-SFHVURJKSA-N 417.462 1.414 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc(N3CCOCC3)ccc2C)cc1C#N 797537036 WFAQEYYDUIGYPG-UHFFFAOYSA-N 408.458 1.967 30 10 HDEE N#Cc1ccc(N2CCN(CC(=O)NCCc3cccc4cccnc34)CC2)cn1 801553888 IZBUOAHSLUEWMC-UHFFFAOYSA-N 400.486 1.982 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 805781819 DAMMAPFZZFEJMQ-NRFANRHFSA-N 424.545 1.767 30 10 HDEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 806780745 FQPHTSFMBGVICW-UVTIVQHFSA-N 407.471 1.213 30 10 HDEE CC(=O)N1CC[C@@H](CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 808268726 XQGQPZGWKNVDNI-INIZCTEOSA-N 420.535 1.270 30 10 HDEE COc1ccc(N2CCN(CCCNS(=O)(=O)CC3(C#N)CCC3)CC2)cc1 809806422 NDZGETLKVSUVGV-UHFFFAOYSA-N 406.552 1.821 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COc2ccc(F)cc2C1 811567278 SDYBEIUKBCTCJF-HNNXBMFYSA-N 417.462 1.764 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@]2(c3ccccc3)CNC(=O)C2)cc(OC)c1OC 1127752874 ANILTQGYIRRGAD-KSFYIVLOSA-N 409.442 1.851 30 10 HDEE COCCN(C)S(=O)(=O)c1ccc(N(C)C(=O)c2cnn(CCC#N)c2C)cc1 1128717110 YQEDCOBYPBNMCM-UHFFFAOYSA-N 419.507 1.649 30 10 HDEE N#Cc1cccc2c1CCCN2C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 1130768681 VBSFGBHXXCJDAX-AWEZNQCLSA-N 400.460 1.003 30 10 HDEE COc1ccc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1131950519 PASBXADATYBVKD-KRWDZBQOSA-N 415.471 1.334 30 10 HDEE CCOC(=O)C1([C@H](C)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1134595186 MGTCRKJCEBMLKB-RDJZCZTQSA-N 413.474 1.776 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCN3CSCCSC3)C2=O)cc1 1139811259 IPPKODQBWBSTDO-QGZVFWFLSA-N 404.561 1.862 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)CC1 1140132984 SCSMENSDNSZJCI-UHFFFAOYSA-N 420.513 1.343 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1 1151151619 PRAYZQRZFIQVSV-KBPBESRZSA-N 405.499 1.782 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC1OCCO1)C(=O)OC 1152692716 ASAOAKNQZHJGQX-ZIAGYGMSSA-N 400.472 1.657 30 10 HDEE C#CC[C@@H](NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21)C(=O)OC 1161365933 YWVHMTBWQDBBJW-CQSZACIVSA-N 420.263 1.201 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)Oc1ccccc1 1176371683 DBCMHHVVEPSITK-GOSISDBHSA-N 405.414 1.677 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2F)nn1 1213353327 AJTRWYNRMKODCC-UHFFFAOYSA-N 402.835 1.912 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1215125467 NYGNVTQLIYRDDO-QGZVFWFLSA-N 422.551 1.563 30 10 HDEE C[C@]1(C[C@@H]2CCCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)NC(=O)NC1=O 1253867726 PUDCOVZJNHBKSC-HTAPYJJXSA-N 424.505 1.689 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286325319 UNBCGNMFTDEVRG-XLIONFOSSA-N 406.552 1.991 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286337190 XYVUTOOMXGKNKA-GOSISDBHSA-N 411.510 1.515 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1SC 1286360941 KWGOTCMYHHJCEK-GFCCVEGCSA-N 411.528 1.867 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCO2 1286432397 IIRWUVIOLCEABX-UHFFFAOYSA-N 405.458 1.640 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1[C@@H]1C[C@H]1C 1286460367 MNFTVYKTVVZRLV-CRAIPNDOSA-N 417.535 1.862 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1286477185 QVDCLNPQMGARHZ-FQEVSTJZSA-N 422.581 1.121 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCN2CCc3ccccc3C2)CC1 1286488680 QVEIJYFFFHHHON-UHFFFAOYSA-N 406.534 1.611 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccc(O)c2)CC1 1286793917 PULADUOBACGIGC-GOSISDBHSA-N 412.494 1.464 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC2CCOCC2)CC1 1286819741 UMUOTIFKELSCFS-UHFFFAOYSA-N 423.583 1.305 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCOCC2)CCOC1 1288281763 NARLVCOWSWBDST-NQIIRXRSSA-N 420.558 1.779 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1289326756 QCMALOVUMVXRIV-UHFFFAOYSA-N 400.445 1.303 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1291596134 MRNGTDZELDDXFS-HKUYNNGSSA-N 423.535 1.231 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1nccn1C(F)F 1300528184 SEJHQVVGDNKMDQ-UHFFFAOYSA-N 413.388 1.719 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1301517724 BJAXNXGCJYHUEE-GOSISDBHSA-N 410.478 1.566 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2n[nH]c(C)n2)C1 1301566737 BRZWIOMOKMIGAA-JZXOWHBKSA-N 417.514 1.453 30 10 HDEE C[C@H](SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc2ccccc2[nH]1 1304002111 MLVWUWDOPNRFGO-LXIYXOSZSA-N 404.517 1.754 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCC(c2ccc(C#N)cn2)CC1)[C@H]1CCS(=O)(=O)C1 1307958457 URJIRTMONRBISH-LPHOPBHVSA-N 418.563 1.947 30 10 HDEE COC(=O)C1(C2(O)CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CCC1 1308133846 BRNNNBKDZRGWGS-OAHLLOKOSA-N 403.504 1.895 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nncn2C)cc1OC 1315401766 BUJBMNJFMBWJAI-IBGZPJMESA-N 412.429 1.581 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1316347479 GBQMWJAIKCLFFE-MSOLQXFVSA-N 415.519 1.867 30 10 HDEE N#CCN1CCC(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1323755926 GVUNMFNQIHNZGL-SFHVURJKSA-N 408.462 1.115 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1358876144 CVHSKRIFCFMLKV-HZPDHXFCSA-N 419.551 1.936 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H](C)C1 1358943365 GQJZUSIYYVGWOQ-KRWDZBQOSA-N 405.510 1.722 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1358961332 WNEHAWYQELRVQQ-HZPDHXFCSA-N 417.560 1.862 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1358978427 MIUVLBPFIBCLHI-GOSISDBHSA-N 406.490 1.135 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnnn1CC1CC1 1358983296 CCLLCCSGBJAEDE-IEBWSBKVSA-N 422.537 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCCn1cc(CO)nn1 1358996852 UZDBKOILTDNOPV-UHFFFAOYSA-N 409.519 1.567 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCO2 1359027219 ZWHDXNFXNCKEDY-UHFFFAOYSA-N 423.517 1.860 30 10 HDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1359242428 DRHXCBRVTMHTBG-KRWDZBQOSA-N 407.478 1.961 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1359286661 IUKDMMBQXIWMIW-MRXNPFEDSA-N 414.897 1.917 30 10 HDEE CCOC(=O)[C@@]1(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CCCOC1 1438112671 LHMUKJNWBWGQIL-HXUWFJFHSA-N 422.503 1.854 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cn2cc(CNC(=O)OC(C)(C)C)ccc2n1 1444542361 HVYGAIIICRIFMC-UHFFFAOYSA-N 401.423 1.498 30 10 HDEE Cc1cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c(C)n1-c1ccc(C#N)cc1 1452257804 INGIFXJYFANCRL-OAQYLSRUSA-N 413.499 1.996 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(O)nc(SC)n2)s1 1452478712 JNOVCWVUSPVBCT-UHFFFAOYSA-N 414.534 1.289 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ncc(-c3ccccc3)[nH]2)c1 1455618061 GVWPFNBWGBSMBB-UHFFFAOYSA-N 408.483 1.961 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CC2)cc1 1456475983 BCORXBRLDQYANQ-UHFFFAOYSA-N 409.471 1.873 30 10 HDEE CS(=O)(=O)C1(C(=O)N[C@H](C#N)c2cccc(Br)c2)CCOCC1 1458445012 AZXRQEBAOQEBJP-CYBMUJFWSA-N 401.282 1.724 30 10 HDEE C=CCN(C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)[C@@H]1CCS(=O)(=O)C1 1459686740 MWJTULALQQNYEL-CVEARBPZSA-N 400.541 1.830 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1460026011 GGGKBOMYQIMTLP-UHFFFAOYSA-N 407.492 1.636 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@H](C)c2cccc(Br)c2)CC1 1462534074 NLKSQMLMGSTOPW-AWEZNQCLSA-N 400.342 1.638 30 10 HDEE COC(=O)CCN1CCN(C(=O)Cc2ccc(Br)cc2C#N)C[C@@H]1C 1466481294 YZLIWZVLFPUVHA-ZDUSSCGKSA-N 408.296 1.959 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(C)n(C)c1C(=O)NCCO 1467795046 ZENQKPMOBBZLNY-AWEZNQCLSA-N 423.514 1.639 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)cc2C1=O 1471332593 UZTYGNDIIKSRMS-SFHVURJKSA-N 409.364 1.752 30 10 HDEE C=CCN([C@@H](C)COC)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1475487259 JNMKUZABRYZDNP-VIFPVBQESA-N 409.277 1.899 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1478581203 JACPQDHPGFZOSL-PKOBYXMFSA-N 407.486 1.470 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1507516341 KNCXIRJUMPMNQM-YRNRMSPPSA-N 419.551 1.644 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1N1CCOCC1 1507543166 UYHMGRQCQJMNJO-KRWDZBQOSA-N 423.521 1.138 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1507548210 SJTBXVISOMJGHW-KFWWJZLASA-N 404.515 1.595 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCOC1CCOCC1 1507605467 UQABBTMFXHEMEG-OAQYLSRUSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCS(=O)(=O)CC1CC1 1507618015 FYORQTXYPZELHW-UHFFFAOYSA-N 421.548 1.164 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1507634980 OVNNDWIDWRYTCR-ROUUACIJSA-N 417.535 1.316 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCOCC2)CC1 1507731517 KODXYVXJVGNYLU-FQEVSTJZSA-N 416.570 1.040 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CC[C@H]2CCOC2)CC1 1507739202 AVPLAKXWHPDJBN-SFHVURJKSA-N 422.533 1.656 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCCO[C@H](C)C1 1507805908 LMRCIFNLVZGJRW-HLIPFELVSA-N 403.527 1.997 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1507829633 GQSUJCQXUAYYHA-MRXNPFEDSA-N 408.462 1.538 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1507842583 CGOBSMOARBQFGU-LSDHHAIUSA-N 406.487 1.099 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1507942609 FCHJFGHGAUKZQR-ZDUSSCGKSA-N 423.543 1.930 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1cccc(C)c1 1507968592 WOBXYAZXOJQBPI-OAHLLOKOSA-N 420.539 1.249 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(O)cc2)CC1 1508080999 VGBZAYCZUNXHBS-UHFFFAOYSA-N 422.493 1.013 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C(C)C)C1 1508139725 DGNDBTPTEXTSNG-DLBZAZTESA-N 412.556 1.634 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1510215956 AJZGWNRNNVWUHG-URGYJCLVSA-N 410.544 1.614 30 10 HDEE CCN(CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)C(C)C 1515745321 CUWTVGCLHQGVPC-KSZLIROESA-N 406.531 1.461 30 10 HDEE CCn1nc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CC2)c2ccccc2c1=O 1515948696 RETHRGINKVVXMG-CQSZACIVSA-N 407.478 1.938 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517674786 YCFMTEIQHHVNCD-YWMAMYRUSA-N 416.482 1.002 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)C 1519435730 HSGSYUWQSKMJFG-QOKNQOGYSA-N 408.478 1.359 30 10 HDEE CC[C@@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1537622718 CTDOWSRTPJWFGZ-INIZCTEOSA-N 422.551 1.928 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1538977271 VFWFQAKCOBGJHP-MGPUTAFESA-N 401.467 1.411 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@H]1COCCO1 1539004668 MIXCIGVVSOQZPC-CABCVRRESA-N 408.462 1.857 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1539219022 BCQNCQVKZLMTJH-XDNAFOTISA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1539268175 HSXUCHAKERZZSP-KRWDZBQOSA-N 424.892 1.583 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCO[C@@H](C)C1 1539423140 SSPRGOURCPFJCE-RDGPPVDQSA-N 406.527 1.903 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCC=C)CC1 1539462536 WWPUCAPPIIMDDE-UHFFFAOYSA-N 412.469 1.054 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCCO2)CC1 1539462572 ISARYTOOEZRBEN-OTWHNJEPSA-N 403.527 1.326 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1539516858 FLOFLNZTKMHZSP-IPMKNSEASA-N 419.595 1.695 30 10 HDEE COC(=O)c1cc(S(C)(=O)=O)ccc1NC(=O)Cc1ccc(OCC#N)cc1 1539776308 BOUSCUTVCLYVSU-UHFFFAOYSA-N 402.428 1.960 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 1539902388 GHHGMIDRMLGULK-AWEZNQCLSA-N 412.560 1.159 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccs1 1540897773 RYBHSRRCGPJZCI-UHFFFAOYSA-N 423.564 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1540898724 SHQTZCXKDATSCH-QZTJIDSGSA-N 424.615 1.182 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541297476 SMKLRGXOGMJBIN-LHSJRXKWSA-N 412.494 1.724 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1541726177 VBMLMCRJUJKCII-UYAOXDASSA-N 423.489 1.302 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCN(C)C2)n1 1543030970 GPJQNQMMZZMFNA-OAQYLSRUSA-N 412.542 1.336 30 10 HDEE COC[C@@]1(C(=O)NCc2ccc(C#N)cc2F)CN(C(=O)OC(C)(C)C)CCO1 1543035103 RYNGOKOSVRLKLO-HXUWFJFHSA-N 407.442 1.966 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)n1 1543691369 FZJAATCZCXFMJR-UHFFFAOYSA-N 408.418 1.899 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CC1 1555316518 MMDUHITXDTWQGD-UHFFFAOYSA-N 416.432 1.981 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1=O 1556884634 GOZGJDVZDZVIAW-ZDUSSCGKSA-N 413.305 1.774 30 10 HDEE COC(=O)NC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1557657830 ZDCSPUFEUDWPJZ-MRXNPFEDSA-N 413.434 1.110 30 10 HDEE C[C@H](O)CN1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H](C)C1 1561490319 HCCVDXRZGYLLMP-NEPJUHHUSA-N 402.314 1.396 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)OCC 1561876527 UJXLSIYIUPIWCS-ZDUSSCGKSA-N 404.510 1.823 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@@H]1CCCO1 1562645992 HECYZUPPJKDZHV-RDJZCZTQSA-N 407.492 1.232 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)C1 1565346229 KIZOABCHVGWAHB-WOJBJXKFSA-N 412.534 1.714 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccn3cc(C(F)(F)F)nc3c2)CC1 1565589813 ACSKDEGLLPMTTA-UHFFFAOYSA-N 407.396 1.250 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 1570077485 OJHZWYNLFOARAE-HXUWFJFHSA-N 412.450 1.839 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1583811247 AFQPYYLTXWAKTP-KUHUBIRLSA-N 412.471 1.289 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1586761457 XSVBNNJIBHPELB-HOJAQTOUSA-N 404.482 1.941 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N1CCOCC1 1587592415 BNXJGVGZFKXOLS-CQSZACIVSA-N 417.897 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1 1588170744 MUWWLAGMBKRXIM-IBGZPJMESA-N 410.522 1.236 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCOC1 1588574893 VPLMDNAQDCVGPY-IERDGZPVSA-N 418.469 1.795 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1589068685 CQSGEWLLAWVKDD-BZUAXINKSA-N 412.581 1.550 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)cc1 1593752491 LVHKWNHIBOWILT-LCPUNJGISA-N 409.421 1.939 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[S@@](=O)CC)CC1 1594191994 BRHJWEGLYLTUSD-CANCMXDXSA-N 403.574 1.059 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1594963898 ZJHUVEKLWXCCEJ-IKGGRYGDSA-N 403.506 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1595507040 UREMRSMAZGWYBK-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)C1 1595790548 OISAOYROPLNQII-GFCCVEGCSA-N 404.319 1.486 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO 1603338164 YOZNYMVPQWLPFH-HZPDHXFCSA-N 408.296 1.757 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2ncc(OC)c(O)n2)c1 1603347053 XXGUJSYNRXYYDF-INIZCTEOSA-N 415.471 1.965 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O 1607925112 GRMLRASOCMMGNM-UHFFFAOYSA-N 404.540 1.638 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1611660438 PMYFCUAFQJWKNY-MRXNPFEDSA-N 418.372 1.389 30 10 HDEE COc1cccn2c(=O)n(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)nc12 1613872657 SITTTYZEXJSDLL-KRWDZBQOSA-N 424.436 1.053 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)CSCC#N)CC3)[C@@H]2C1 1618078056 NSMQWWCSSKKKDK-CABCVRRESA-N 424.523 1.674 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C)C[C@@H]2C(=O)OC)s1 1625753725 OEWRIWMXTHTFML-GXTWGEPZSA-N 400.522 1.555 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2C2OCCO2)s1 1626203156 NUNSPIPTGSWMEX-AWEZNQCLSA-N 400.522 1.509 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1cccc(SCC#N)c1)C1CCCC1 1626234354 BXJZRKDRICRPAT-QGZVFWFLSA-N 410.565 1.987 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2c(S)nnc2CC)s1 1628264845 NQPQVYPPEFIWQA-UHFFFAOYSA-N 415.566 1.014 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(C[C@@H]2CCCS2(=O)=O)CC1 1631269843 PAEUWLTYDHUGQD-KRWDZBQOSA-N 408.520 1.595 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1633213574 WTNPCCLZGLBICX-OAQYLSRUSA-N 411.483 1.735 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)c(Cl)c2)CC1 1633550460 KSDMRSHWDJVYQK-LBPRGKRZSA-N 419.334 1.849 30 10 HDEE C#CC[C@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1638831613 CEJZUTQWLATLGV-ZDUSSCGKSA-N 402.266 1.294 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccnc(C#N)c2)CC1 1640005540 NZJKRXCXKSPSAG-UHFFFAOYSA-N 402.480 1.010 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CCOCC2)[C@@H]1c1ccco1)c1cc[nH]n1 1640039540 MMQSMAFPMJHPCU-SFHVURJKSA-N 416.434 1.667 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1640062869 ZNGBECZCDVCNOP-BNLOLNQZSA-N 408.417 1.693 30 10 HDEE CCCCCCCC[C@H](CO)NC(=O)c1cnc2c(c1C)c(=O)n(C)c(=O)n2C 1647853485 HTCRXDMRGKWTGZ-OAHLLOKOSA-N 404.511 1.782 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1648904936 NUMDJEKQUUNFKP-SUMWQHHRSA-N 405.451 1.556 30 10 HDEE Cn1c(=O)c(C(=O)CN2CCc3c(C#N)cccc32)c(N)n(Cc2ccccc2)c1=O 1659080230 HHEADHXMCYSFKZ-UHFFFAOYSA-N 415.453 1.295 30 10 HDEE CN1C(=O)CN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)Cc2ccccc21 1659470995 MIIOWVNHFNOGKY-LJQANCHMSA-N 423.542 1.936 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCC)c3cccnc23)CC1 1660477013 DCDQOJAGPVRVKV-UHFFFAOYSA-N 417.491 1.251 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1664253493 BFUHBVIASAKFSV-CQSZACIVSA-N 403.460 1.395 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)C1 1676030424 DHEVWUMZIOKTEY-QGZVFWFLSA-N 416.522 1.642 30 10 HDEE C#CC1(O)CCN(C(=O)NCCOc2ccc(I)cc2)CC1 1681755292 UHBGVSXRVHHAES-UHFFFAOYSA-N 414.243 1.840 30 10 HDEE CON(C)C(=O)CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1682122711 RSEJNVNHBUKSMA-KNVOCYPGSA-N 413.265 1.819 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)C1 1685267460 ZNSRCYYMXYIKDA-PKTZIBPZSA-N 409.578 1.686 30 10 HDEE N#CCC[C@@H](NC(=O)NCC(=O)NCC(=O)NCc1ccccc1)c1ccccc1 1685801142 XJBXMJGKMSEBBN-LJQANCHMSA-N 407.474 1.763 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCC2(C#N)CCOCC2)C1=O 1687388938 NNIMDPNBHUNJFV-HNNXBMFYSA-N 408.499 1.329 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)C1 1687593198 LFFVDBRUUGXQHE-RBUKOAKNSA-N 404.536 1.700 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1690047544 SXXXIWVOQATUOW-GOSISDBHSA-N 412.515 1.591 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nncn1CC 1690072395 GXIRGYCWTANUSZ-UHFFFAOYSA-N 417.477 1.311 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CCOCC2)CC1 1690115459 GZFPPPQNSRJSSI-UHFFFAOYSA-N 409.534 1.804 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(=O)NCC)CCC2)CC1 1690124747 SQKQBRAPZUEPAC-GOSISDBHSA-N 414.554 1.234 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690254520 CEOMBYQLMHLHEQ-VQHPVUNQSA-N 410.540 1.734 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690284640 OJPZRDIWWMEIEQ-OAHLLOKOSA-N 407.482 1.709 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(O)CCN(C)C2)CC1 1690395035 VUIOAQFXGSEXSB-OAQYLSRUSA-N 411.510 1.394 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1690673879 IBLQVFABYYWAKS-UHFFFAOYSA-N 410.526 1.430 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N(C)C)C1 1690709254 FGGAASBRZIGHPC-QGZVFWFLSA-N 411.572 1.684 30 10 HDEE CN1CC[C@](O)(Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1696877763 CIHQHKPOWGIEKX-HSZRJFAPSA-N 417.517 1.839 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCCCO)CCN1C1CC1 1698493209 JNBYWHKIQLGZRD-MJGOQNOKSA-N 402.543 1.901 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CCO1 1698494360 VHINRHZYTDHQJM-RYUDHWBXSA-N 407.368 1.428 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)OC)C1 1705517158 POEDRLUFPNHWAM-JKSUJKDBSA-N 408.524 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC(C)C)N(C)C 1705598780 QPHBJJCJHIIXEO-MOPGFXCFSA-N 419.595 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCc1ccc(S(C)(=O)=O)cc1 1705602340 QWQGGGXQZZQENG-UHFFFAOYSA-N 414.531 1.924 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccccc2F)CC1 1705638988 CYNOCFQXGUDRPA-QGZVFWFLSA-N 417.510 1.123 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2c(C)nn(C)c2C)CC1 1705648621 ZZPWFFAXCGZHJF-UHFFFAOYSA-N 409.538 1.910 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCCNC(=O)C(C)C 1707913686 MRTNCNUWOWMIGK-UHFFFAOYSA-N 409.538 1.943 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1COCCO1 1712529877 ISRHNOZFTCXQBD-SJLPKXTDSA-N 407.515 1.938 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722329147 BKIHWUJMRDUQGF-UHFFFAOYSA-N 405.528 1.000 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1722340815 JDCUGRQMQONTRL-OXJNMPFZSA-N 405.499 1.621 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1722398601 DPTNRWHAACDFAR-HXUWFJFHSA-N 410.543 1.961 30 10 HDEE C=C(C)COCCn1c(N2CCC([C@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1722537052 UEJLEAIFNPFVJP-MRXNPFEDSA-N 418.542 1.935 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1 1722668711 XTKPZUKIFVXWJC-UHFFFAOYSA-N 413.507 1.704 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCOC2)C1 1722710264 GHFDWHNCFBMEBP-OWCLPIDISA-N 413.544 1.096 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCC[C@@H]2C)C1 1722720620 NBDUTOSHCVCURQ-CSODHUTKSA-N 403.527 1.733 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722739862 JKPAKNPYGBOJJD-DOXZYTNZSA-N 407.540 1.533 30 10 HDEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2CCn2cncn2)cc1 1730192774 CYEVCEUTSBJNBY-UHFFFAOYSA-N 408.466 1.897 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740634870 HDTZKYWUBFWEPZ-QGZVFWFLSA-N 418.423 1.676 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OCC)C(C)C 1740640486 OBXZQQYYDXEGJK-ZWKOTPCHSA-N 406.552 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(C)coc1C 1740671701 MQEDNURCVSNYBA-QGZVFWFLSA-N 421.523 1.329 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCNS(C)(=O)=O)C1 1740976971 BDWMELWGOSMBNM-AWEZNQCLSA-N 409.487 1.415 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC#N)NC(=O)OC(C)(C)C 1741804102 XCYOBTOEXMCMBT-MGPQQGTHSA-N 405.503 1.881 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC[C@@H]2CCCO2)cn1 1748009463 ILUMPOBUKPTTQE-LPHOPBHVSA-N 403.462 1.706 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1748710164 IRODWSRZMKIESV-QGZVFWFLSA-N 413.526 1.417 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1748784434 AFBRRAKQVXLLNQ-UHFFFAOYSA-N 417.477 1.426 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)OC(C)(C)C 1748922683 IHJLKUOROYLZMY-UHFFFAOYSA-N 416.482 1.990 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1748989849 QWXWULXFSIPXIW-HXUWFJFHSA-N 402.587 1.589 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCn1cc([C@H]2CCOC2)cn1 1749461832 JMMVUPZPOSXIBW-INIZCTEOSA-N 422.493 1.948 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](NC(=O)CC)C1 1749672099 QEQAZXPOHOJQKP-IBGZPJMESA-N 424.549 1.975 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)cs1 1751765346 BHPWWZKGDFNXJW-GFCCVEGCSA-N 410.507 1.914 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)noc1C 1760130271 GTXHWBPCHJCSJC-AWEZNQCLSA-N 408.528 1.933 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1760131158 OYJXCLYQFYSWFE-HZPDHXFCSA-N 420.543 1.125 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(CC)c1 1760216722 YIKVYAMLHHEVON-UHFFFAOYSA-N 405.462 1.733 30 10 HDEE C#CCN(CC)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)N(C)C 1760237247 BKVMNIDQECNTHG-UHFFFAOYSA-N 419.551 1.825 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](C)N(C)C)CC1 1760261117 LEFYSIOBMWUYEP-LJQANCHMSA-N 405.550 1.986 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCSCC=C)CC1 1760264794 FRBBWEPYUXRWPC-ROUUACIJSA-N 405.568 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ncc(CC)s2)CC1 1760273424 TZCUQSOUJOMLEP-UHFFFAOYSA-N 416.551 1.848 30 10 HDEE C=CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760437251 WMXLZSYZBRYREO-SFHVURJKSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)C[C@@H]1CC 1760518661 YOQXIVYXEDCFOF-WBVHZDCISA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)NC)CC1 1760525065 SCRBOZLUWOXRBG-UHFFFAOYSA-N 414.485 1.273 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N(C)CC1CC1 1760557063 ZCUUZFMMZKSKNZ-UHFFFAOYSA-N 414.535 1.964 30 10 HDEE CC(C)CCN(C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1761071322 COIDZGOACZZTMD-ZPHPHTNESA-N 410.482 1.744 30 10 HDEE CCc1nnc(N2CC[C@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764844038 IOOUGDJVAUXCGY-MBWHEXEYSA-N 402.524 1.700 30 10 HDEE CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C1 1765376808 HLJITSFUGWIOKD-SFHVURJKSA-N 423.521 1.790 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1766382983 HKKTZFQUCHBMCT-SFHVURJKSA-N 412.494 1.681 30 10 HDEE CO[C@](C)(Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)C1CC1 1767995365 FESLRXZBKTWSEO-KSFYIVLOSA-N 424.505 1.855 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C#N)CC2)C1 1769064407 HBBCCQJZGJOHHG-OAQYLSRUSA-N 414.485 1.803 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)C1 1770727187 CWJGUAJFDJCLMC-HNAYVOBHSA-N 402.405 1.889 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@H](C)O[C@H](COC)C2)n1Cc1ccc(C#N)o1 1771176856 WRLUZVUGIVVMBL-DAYGRLMNSA-N 419.482 1.755 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCOC2)CCO1 1771537704 UAZLVNHMLWOFJQ-RBUKOAKNSA-N 412.494 1.436 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CCCO[C@@H]2CCOC2)CCO1 1771539252 RPEGTRIZPSQRNM-WOJBJXKFSA-N 411.506 1.988 30 10 HDEE CC(=O)N1CCN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1849426113 UIHKCCKDCADDGB-PMACEKPBSA-N 414.531 1.642 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@H]1CC(=O)N(Cc2ccccc2F)C1 1850794882 PKSCNEIPTZWONK-ZDUSSCGKSA-N 401.419 1.440 30 10 HDEE Cc1cn2c(=O)cc(COCCN3CCN(c4ccc(C#N)cn4)CC3)nc2s1 1852458748 SROPQOLSZWUYQG-UHFFFAOYSA-N 410.503 1.670 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1853658794 CFOISYZHDLNYJX-QZTJIDSGSA-N 415.559 1.891 30 10 HDEE C=C(C)CN1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)C12CCCCC2 1853677808 VWBRQBQNBQCHJF-KRWDZBQOSA-N 401.511 1.878 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCCC[C@H](N2CCCN(CC(=O)N(C)C)CC2)C1=O 1853858173 MGUVROHPNQOQPO-MOPGFXCFSA-N 406.571 1.592 30 10 HDEE CCCc1cc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)no1 1854289330 BJUIZCFEZCZDEB-SFHVURJKSA-N 409.446 1.788 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1854312811 OQIPVDRPCYULDC-SJLPKXTDSA-N 405.520 1.475 30 10 HDEE C[C@H]1CN([C@H]2CCS(=O)(=O)C2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1854739871 GRAUDKAZBPMHGB-YOEHRIQHSA-N 424.482 1.770 30 10 HDEE Cc1cc(CC(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)no1 1854798537 HRJGOXCIMXNINJ-GOSISDBHSA-N 409.446 1.463 30 10 HDEE Cc1ccc(=O)n([C@@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)n1 1855012372 GBSCKSQDGOMFAS-GJZGRUSLSA-N 411.437 1.383 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3nccc4ncccc34)C(=O)C2)C1 1855045548 GIYYAWUKJFEWKC-IAGOWNOFSA-N 406.490 1.681 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccnc4ncccc34)C(=O)C2)C1 1855047833 YXBQUSSLOOCFPG-DLBZAZTESA-N 406.490 1.681 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@H](C)CCC#N)[C@H](C)C2=O)cc1 1856281976 FEDIBKDOCZIIDP-HZPDHXFCSA-N 421.519 1.611 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCc1ccccc1 1856331351 SIFHWBDMFCVKFE-MRXNPFEDSA-N 411.483 1.804 30 10 HDEE COc1ncccc1C(=O)N1CC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856459278 JNPSCZYQKCLEHX-GOSISDBHSA-N 405.458 1.978 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(Cc4ccccc4)C3)CCC2=O)CC1=O 1857068061 LRTAUWIILVXIFS-PZJWPPBQSA-N 409.530 1.961 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C1=O 1857485821 RTFPHNYTVDFLHC-QZTJIDSGSA-N 423.510 1.614 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858419859 RCWXQVNCJQCYQI-CYBMUJFWSA-N 411.443 1.789 30 10 HDEE COC(=O)N1CCN(c2ccc(NS(=O)(=O)c3ccccc3C#N)cn2)CC1 1858442422 LUJNJJVMCWJSIM-UHFFFAOYSA-N 401.448 1.642 30 10 HDEE Cc1cc2nc(C(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)cc(C3CC3)n2n1 1867166527 AMQRHCREUOTRGJ-QGZVFWFLSA-N 404.430 1.516 30 10 HDEE C#CCOc1cn(Cc2cccnc2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870559603 JAEZPTYIZIKHEV-UHFFFAOYSA-N 416.485 1.416 30 10 HDEE C=CCN=c1nc(Nc2ccc(C(=O)NCCN(CC)CC)cc2)[nH]c(N(C)C)n1 1871704664 BUGMTFARCROHGP-UHFFFAOYSA-N 412.542 1.773 30 10 HDEE Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN(C)C)c1C 1889724536 COIMSMMEJXHUBX-LJQANCHMSA-N 405.564 1.755 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)c1 1890684989 ARHVEMMRZFZYKM-OAHLLOKOSA-N 417.443 1.590 30 10 HDEE CN(Cc1sccc1B1OC(C)(C)C(C)(C)O1)S(=O)(=O)NCC(F)(F)F 2157047698 PSQGFLNUNABFEE-UHFFFAOYSA-N 414.280 1.876 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC2(C#N)CCN(C)CC2)C1 2181146691 HIFWAYXXHDVXCF-NQIIRXRSSA-N 414.506 1.907 30 10 HDEE CC(C)(C#CC(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1)NC(=O)OC(C)(C)C 2202922992 HBYLXVLUQPBALW-UHFFFAOYSA-N 416.887 1.201 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387462 UUMRXOSXYJOKQN-UHFFFAOYSA-N 410.280 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243673837 AYYUWEWKVATNKT-LLVKDONJSA-N 424.332 1.597 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2243685890 DFTNGSPBMGFZKG-AWEZNQCLSA-N 408.304 1.546 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2247828449 NWWIIMUCKHWKIJ-UHFFFAOYSA-N 420.319 1.792 30 10 HDEE CC1(CCNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)OCCO1 2247904692 POGIAVNGIVHHCQ-UHFFFAOYSA-N 403.331 1.479 30 10 HDEE C=CCN(CC(F)(F)F)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258170365 MIUISORRZCMDDF-ZDUSSCGKSA-N 424.397 1.746 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2263335777 CMVJEMGAUFSQAP-MRVPVSSYSA-N 409.244 1.344 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS[C@H](CO)C2)OC1(C)C 2267366929 MKUJPFZWEFKXAT-NSHDSACASA-N 405.372 1.146 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CSC 2267379297 QNKFFFIMRQLJEM-NSHDSACASA-N 407.388 1.704 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCc3csc(=N)[nH]3)c2)OC1(C)C 2267717188 YVQADDZNEPGSCB-UHFFFAOYSA-N 401.344 1.395 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2270524946 PJAAGTMLJKDRRR-KRWDZBQOSA-N 417.443 1.357 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2281783058 GFOFXXCAEQOEIU-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CN(C)[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C[C@@H]1O 2281961822 QZYDIXNGJRHQHF-NEPJUHHUSA-N 400.737 1.448 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)CCCS(C)(=O)=O 2281969810 NWJBDTZDULJCHJ-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NCC[C@H]2CCCS2(=O)=O)OC1(C)C 2282061985 RRJZACYUQXMVNR-LLVKDONJSA-N 400.331 1.139 30 10 HDEE C[C@H]1CNC[C@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308851 WYJHTNHRKPGFHG-QWRGUYRKSA-N 420.793 1.835 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](CN)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282312032 QBRYLTVMOBHNHU-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3ncon3)cc2Cl)OC1(C)C 2282824580 CINYSACSNGMAHV-UHFFFAOYSA-N 419.721 1.605 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2CC(CCO)C2)OC1(C)C 2282836073 FLGIROZVMULVSG-UHFFFAOYSA-N 402.347 1.023 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1 2282870464 SJRYVAOOZZYZMX-CHWSQXEVSA-N 401.359 1.986 30 10 HDEE C[C@H](CCCC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284396094 SKDCSKPHCJFMGB-LLVKDONJSA-N 403.331 1.969 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284398086 UDEMGXJTWIMMDP-JTQLQIEISA-N 403.693 1.638 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1ccc(C#N)nc1 2296375461 MKWIFWZQKYGMJF-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CS(C)(=O)=O)C(=O)Nc1nc(Cl)ccc1C#N 2335407264 WQLIPBJPSMBCRO-JTQLQIEISA-N 402.860 1.483 30 10 HDEE CCN[C@@H](C#Cc1nccs1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338222302 WDOXMLSTMQWIGX-UONOGXRCSA-N 401.554 1.801 30 10 HDEE CN[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1(C)C 2361409011 FAORVCPUJNNCDY-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(OC)CN(C(=O)OC(C)(C)C)C1 2365206686 IEWLCVOYDWBYEG-HNNXBMFYSA-N 402.557 1.817 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1CCCC1 2369617575 BOJQPXQGFRQKPD-GPMSIDNRSA-N 401.525 1.638 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)NCc1ccc(S(N)(=O)=O)cc1 45572529 LZRQRARYXKASSB-UHFFFAOYSA-N 404.517 1.938 30 10 HDEE COc1cc(/C=N/Nc2nc(SCCC(=O)N(C)C)n[nH]2)cc(OC)c1OC 59830918 XBDPPNJKPWBMQP-VCHYOVAHSA-N 408.484 1.847 30 10 HDEE C#CCN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)[C@@H]1CCS(=O)(=O)C1 111046329 HLIPYQJVXIIQFJ-GFCCVEGCSA-N 414.409 1.643 30 10 HDEE CNC(=O)[C@@H]1[C@@H](C(=O)NC)/C(=N/Nc2ccc(Cl)cc2)C(=O)N1C1CCCCC1 136113634 YXOXXOSSIXLEPJ-PDANPFCRSA-N 419.913 1.760 30 10 HDEE C[C@@H](C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1)n1cnc(C#N)n1 409621482 MERPLZQRKMQSPZ-AWEZNQCLSA-N 407.434 1.163 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC[C@H]1CCCN(C)[C@H]1c1cccs1 410133071 ZQUJWQZEHQQZLW-NVXWUHKLSA-N 400.570 1.827 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 434315904 KKKJMNUCMYUYEE-HOCLYGCPSA-N 404.410 1.635 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)[C@@H](Oc2ccccc2C#N)C(C)C)CC1 435397970 AUULLPZHADUGNW-FQEVSTJZSA-N 415.490 1.880 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)NC)c2ccccc2)cc1 435948482 DWPIYOIMPZZCBJ-GOSISDBHSA-N 401.488 1.758 30 10 HDEE COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)[C@@H]1C[C@H]2CC[C@H]1C2 447214513 WVBGFYDAMHFUEA-WXSAJPJJSA-N 405.520 1.889 30 10 HDEE N#CC1(CS(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)CCCC1 462681701 BKHZSSSOOXAHFU-GOSISDBHSA-N 405.520 1.460 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCC[C@]34NC(=O)NC4=O)cc2)nc1 465371039 LMUOVPHXDZHHNZ-BTYIYWSLSA-N 405.414 1.854 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(c3nccn(C)c3=O)CC2)CC1 467178148 ZXZXLWXMBNXQNX-BATSVXPKSA-N 400.527 1.222 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ncc(Cl)cc2Cl)CC1 475361751 PREUXSHJGMKBJA-UHFFFAOYSA-N 416.309 1.397 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(F)c1 481050848 BLKXIUWOQBYLHK-UHFFFAOYSA-N 413.425 1.937 30 10 HDEE CN1CCN(c2nc3ccccc3nc2N2CCN(c3ncccc3C#N)CC2)CC1 484830976 BBIDFQAWFAJFOR-UHFFFAOYSA-N 414.517 1.975 30 10 HDEE COc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)ccc1F 486626260 HOJNUQKTWIHYTC-KRWDZBQOSA-N 403.435 1.785 30 10 HDEE Cc1ccc([C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)cc1 489128907 YFFJLQDKVCOXLT-HXUWFJFHSA-N 400.504 1.922 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1C#N 489292224 YCARPQAKMGFUOH-UHFFFAOYSA-N 419.551 1.359 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3nc(-c4cccnc4)no3)CC2)o1 489908885 KJOAQUZQIIAYLX-UHFFFAOYSA-N 422.449 1.080 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C(C)C)n2)C1 508936937 ASDGDCISQKCCAG-KBPBESRZSA-N 423.543 1.965 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 513736019 VMLAUIHOIDOWNV-QGZVFWFLSA-N 418.538 1.838 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 519194064 NRJAPBRMLLAMQA-KZNAEPCWSA-N 402.495 1.116 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(c3ccccc3)CCOCC2)CC1 524515031 BGBPHBKUWXDCLG-UHFFFAOYSA-N 400.523 1.364 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N(C)CCCc1[nH]nc(N)c1C#N 536343201 GEVNCXKSQGKYCN-AEFFLSMTSA-N 409.538 1.507 30 10 HDEE C[C@@H](C(=O)Nc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)n1cnc(C#N)n1 540608784 TWNKPHOOKHEGOD-JTQLQIEISA-N 402.461 1.876 30 10 HDEE COC(=O)c1cc(OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 545471079 YOSHCTVCINZMEV-UHFFFAOYSA-N 422.488 1.321 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)c2nocc2C(=O)OC)cc1 561715405 CZEHEOFMQPYAQA-UHFFFAOYSA-N 407.448 1.591 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 572565179 JTIAQNZOQYQLQC-UHFFFAOYSA-N 409.542 1.772 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 588886258 LNTUXHANCRANEG-NRFANRHFSA-N 415.538 1.123 30 10 HDEE O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCC#Cc1ccccc1 597691048 ULUNIEYKEKVVLI-OTWHNJEPSA-N 402.516 1.264 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)NC(C)(C)C)c2)CC1 605411346 XXIMNJOPKOFPJO-UHFFFAOYSA-N 401.511 1.667 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc([C@@H](C)N3CCOCC3)c2)CC1 605416122 PFYDPHBHVAJEPN-GOSISDBHSA-N 415.538 1.532 30 10 HDEE CO[C@@H](C(=O)NCC#CCNC(=O)[C@H](OC)c1ccc(O)cc1)c1ccc(O)cc1 683869018 KBQUKEZOBGYIHO-WOJBJXKFSA-N 412.442 1.409 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 730272326 CSSRYACEBRCFLP-SFHVURJKSA-N 401.507 1.454 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(-c4ncon4)cc3)CC2)o1 730629123 MKSQQRRDFLBDBO-UHFFFAOYSA-N 422.401 1.410 30 10 HDEE C=CCn1c(-c2ccc(F)cc2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 735074053 WREZQFFNEFXPSZ-OAHLLOKOSA-N 411.528 1.987 30 10 HDEE COC(=O)[C@H](OC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(C#N)cc1 740186271 ZGJGJHHDGSIYHC-QGZVFWFLSA-N 402.428 1.880 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 756677200 YGKGOWYZWQITSI-CQSZACIVSA-N 415.943 1.333 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)C(F)F)cc3)CC2)n1 760777466 FFTXKQCQSCXPRE-UHFFFAOYSA-N 406.414 1.912 30 10 HDEE CN1CCO[C@H]([C@H](NCCN/C(O)=C2/N=CC=CC2=O)c2ccc(Cl)cc2)C1 768227171 FKJYYIYSXPWEJN-WMHBUWLTSA-N 404.898 1.828 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2CC2CC2)C1=O 769742910 QMDWQPDWUNFASR-AWEZNQCLSA-N 417.470 1.490 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1cc(OC)c(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774169660 DFQYAFQZRWYSNM-ZFWWWQNUSA-N 410.492 1.605 30 10 HDEE C#CCN(C(=O)NCc1cccc(COC2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C1 774210686 BIOQBXQIKVBALR-LJQANCHMSA-N 420.531 1.714 30 10 HDEE C[C@H](OC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)N(C)CCC#N 782419794 WQTLJOCRQXFEOM-LBPRGKRZSA-N 405.455 1.620 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O 783551332 GHNHCPZTJADCOM-INIZCTEOSA-N 406.446 1.905 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@H](O)C(F)(F)F)c1 789045607 QHHMEBRZTRZKGI-PFMQXPBUSA-N 408.402 1.544 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)[C@](C)(O)Cn1ccccc1=O 790684877 JJIUPPFMRCNBET-MGPUTAFESA-N 404.488 1.807 30 10 HDEE C[C@@H](OC(=O)[C@@H](C)n1cnc(C#N)n1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 798748050 RJPVSCKLTQCLGK-PHDIDXHHSA-N 403.267 1.977 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1S[C@@H](C)C(N)=O 802086052 QFOSBIGWHYOPRW-LBPRGKRZSA-N 403.485 1.951 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CO[C@H](C)c2nccn2C)c1 808319176 OFPXYYDRIGYMGZ-QGZVFWFLSA-N 410.474 1.371 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@H](C)Oc3ccccc3C#N)C2=O)c1 813547416 QAIXLZGKULVCGO-ZSEKCTLFSA-N 408.414 1.833 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cscc2C#N)C1=O 814613938 XEQWSZNZEYEGNQ-LJQANCHMSA-N 412.427 1.665 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccccn1 1084005494 SATDZCATCDITCU-UHFFFAOYSA-N 414.470 1.771 30 10 HDEE C=CCN1CC[C@@]23c4c5ccc(OCOCCOC)c4O[C@@H]2[C@H](O)CC[C@]3(O)[C@@H]1C5 1084662209 VFZHCEXZONFUBK-BCLDRZJSSA-N 417.502 1.387 30 10 HDEE CCCCN(C)C(=O)C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 1116044258 DQNAHZQLHXZIHW-ISLYRVAYSA-N 405.499 1.193 30 10 HDEE CCc1ccc(C(=O)N(C)c2ccc(C#N)nc2)cc1S(=O)(=O)N1CCOCC1 1130660487 FSLRUFHGINIDEZ-UHFFFAOYSA-N 414.487 1.813 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCN1C1CCCCC1 1147588137 KLZATPPWKZKQJH-YJBOKZPZSA-N 404.536 1.748 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1159763387 SFBIFNHJGCBCRS-AWEZNQCLSA-N 422.890 1.421 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1167654797 SDYGTMWZHPEOSH-IMJJTQAJSA-N 416.337 1.706 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 1177758518 BXRRLCYOSVBQNP-AEFFLSMTSA-N 408.543 1.256 30 10 HDEE C[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@@H]1CNC(=O)OC(C)(C)C 1179640190 DDCPCPLDEJTGJV-UONOGXRCSA-N 419.482 1.220 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)CCN/C(O)=C1/N=CC=CC1=O 1180072976 FQAXDXRVTPQUKZ-HDARGLBZSA-N 418.494 1.809 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1194336929 RURUIOWVTHOOHE-GJZGRUSLSA-N 422.407 1.659 30 10 HDEE C#CCOc1cccc(NC(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c1 1215273469 KWFNTDXFLVABHM-SHBDPFAUSA-N 405.476 1.031 30 10 HDEE CO[C@@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)COCc1ccccc1 1230817139 JTEROAJUALZOKE-IHPCNDPISA-N 421.519 1.188 30 10 HDEE C#CCOc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1251291077 JCNBMEJOJOWAEP-UHFFFAOYSA-N 417.487 1.566 30 10 HDEE N#CC1(CNC(=O)N2CCC(n3nncc3I)CC2)CCC1 1251997581 QTVRCRVOWSIXLK-UHFFFAOYSA-N 414.251 1.923 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@H](N(C)C)C(F)(F)F)CC2)c1C#N 1255169057 IXSLBHCVQWSLIM-AWEZNQCLSA-N 401.437 1.314 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1277135403 DFDNLHUQWCZKNJ-WBVHZDCISA-N 416.499 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@@H]1COCCO1 1286279402 LSXITEWCPGHJTD-GOEBONIOSA-N 416.478 1.844 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1286356282 NBECYYMXWMNVEE-QGZVFWFLSA-N 406.556 1.813 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](CNC(C)=O)C1 1286358079 HDXBCLWTJDCRMW-GUDVDZBRSA-N 417.554 1.951 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286385917 RDIFPXRPEKTNMR-IKGGRYGDSA-N 408.568 1.753 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1286397215 YFHUGQVDJGWTPU-GOSISDBHSA-N 419.595 1.755 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286671816 ZYNRUWBBLLQKTQ-INIZCTEOSA-N 417.558 1.042 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC=C)C1CC1 1286787971 NPQPPYZHQLXRPC-UHFFFAOYSA-N 422.537 1.909 30 10 HDEE COC[C@@]1(CN(C)C)COCCN1C(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1288226005 JZLLLRAMUHKCFN-UTKZUKDTSA-N 404.486 1.329 30 10 HDEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1(C#N)CCC1 1292236472 VPTXFXANBXVYPO-QLFBSQMISA-N 411.524 1.561 30 10 HDEE O=C(NCC#CCO)c1cn(-c2ccc(Br)cc2C(F)(F)F)nn1 1297017173 VCJJGARLBYONHV-UHFFFAOYSA-N 403.158 1.774 30 10 HDEE C#CCn1cc(CNC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)cn1 1297370162 SJCNPLHQURQZDG-MUUNZHRXSA-N 408.524 1.281 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1298784018 JPNAMGALMORKQF-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@](C)(O)c2ccccc2)cn1 1298818027 CNPAHSCOVSTQAP-WIYYLYMNSA-N 407.478 1.705 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN(C)S(=O)(=O)CC 1300314039 BLYDFNJKBBXHPT-MRXNPFEDSA-N 404.540 1.393 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](SC)C(C)(C)C 1300509442 LNJQULFUPMVGMS-HUUCEWRRSA-N 411.597 1.739 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CCn1cncn1 1300511608 AURPEKXEZLEZOZ-UHFFFAOYSA-N 413.283 1.411 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1cnc2c(Cl)cnn2c1 1300529270 IPBYGZPIPAFTMR-UHFFFAOYSA-N 417.864 1.747 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1NC(=O)CC1(C)C 1300655401 WJTOUZISIPZUEW-OAHLLOKOSA-N 416.913 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCc2cnn(C)n2)CC1 1300690551 DFUGRHCBASBGQW-UHFFFAOYSA-N 420.521 1.470 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCNC(=O)c2cccs2)CC1 1300717125 ZEEJUZGMGKRFKT-UHFFFAOYSA-N 400.508 1.044 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1301260359 XPCRJIZMZZJRLY-MRXNPFEDSA-N 409.494 1.421 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N(C)CCNS(=O)(=O)c1ccc(C)cc1 1301450081 NHJZEXSTHVCYIO-UHFFFAOYSA-N 413.507 1.644 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)C)C1 1301557544 PSGBAWDGPDWRDR-BRWVUGGUSA-N 412.556 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1301569302 VIAZRPDFVLXWMF-MRXNPFEDSA-N 411.572 1.743 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1303190057 URYNNSFXODVQSD-HNNXBMFYSA-N 422.493 1.885 30 10 HDEE C#Cc1ccccc1CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1304357810 ALQOURIHLOVBRD-MSOLQXFVSA-N 418.515 1.455 30 10 HDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1=O 1304489701 GAYNLCDYUAHYHZ-KGLIPLIRSA-N 401.536 1.419 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1304538878 IDLSRTQLCFTSOR-INIZCTEOSA-N 415.519 1.950 30 10 HDEE CCN1CC[C@H](Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)C1 1313897729 XCXPEOKTOSZWAH-DOTOQJQBSA-N 401.540 1.704 30 10 HDEE COCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1316041850 GMBHTYSLIDXJIA-OAHLLOKOSA-N 407.482 1.686 30 10 HDEE COCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1316266748 GETBOUMGTXMSCE-UHFFFAOYSA-N 409.494 1.920 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)COCCO1 1316291216 QCXJVQZDNKWYNI-ZCLUNYJNSA-N 419.526 1.938 30 10 HDEE N#Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCC(OCC(N)=O)CC2)o1 1316534356 YWSPNOYGDQNKGP-MRXNPFEDSA-N 400.439 1.113 30 10 HDEE CN(C(=O)C1(C#N)CCOCC1)c1ccc(CNC(=O)C2(C#N)CCOCC2)cc1 1320916045 OQOZUGHVMHSWBL-UHFFFAOYSA-N 410.474 1.906 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)cnn1CCC#N 1354120735 GSAMQWOADAQWND-UHFFFAOYSA-N 422.555 1.372 30 10 HDEE C=CCc1cc(CNC(=O)Cn2cccc(C(=O)OC)c2=O)cc(OC)c1OC 1358056406 UWAKLPAFLRIKQG-UHFFFAOYSA-N 400.431 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1C 1358985125 PXHHAPMFFCPHPY-IKGGRYGDSA-N 407.540 1.024 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1359030926 KMUMPDJKOHCWLX-DENIHFKCSA-N 416.570 1.027 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)OCC)CC1 1359055104 SRRGWBYNVPRPFV-UHFFFAOYSA-N 401.496 1.380 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359132063 MAOCDTUVNYJZCO-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1359135413 CKAXRDWJQCISDZ-UTKZUKDTSA-N 419.526 1.377 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccco2)CC1 1359148089 CVYSGYONZDVELX-UHFFFAOYSA-N 401.858 1.987 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1nncn1C 1359222087 XQVMDDGLHISYKW-MRXNPFEDSA-N 414.514 1.577 30 10 HDEE C=CCN(c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O)C1CC1 1359253255 YIVWTBDCOPYEFE-UHFFFAOYSA-N 419.555 1.330 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](CN(C)CCC)C1 1359298423 YZZCQOQRGQAJFZ-MRXNPFEDSA-N 400.531 1.149 30 10 HDEE CC(C)NC(=O)[C@@H](C)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1451462924 LHWFGOJDDHMELF-CQSZACIVSA-N 408.524 1.315 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)cc1S(=O)(=O)NCC#N 1455918895 PBLQPIBMJBRGOI-RNKNFESXSA-N 421.519 1.499 30 10 HDEE CN(CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H](O)c1cccc(C#N)c1 1460356360 PBNMHBAFIKGIQD-QGZVFWFLSA-N 422.894 1.463 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1463606343 CJABGOIZMQVCKI-LKFCYVNXSA-N 421.288 1.947 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)oc1Cl 1464606176 RWGXDIWYRANIQE-UHFFFAOYSA-N 410.883 1.656 30 10 HDEE CS(=O)(=O)N1CC[C@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 1465220608 HVMFERFIPRBJCY-HNNXBMFYSA-N 401.448 1.901 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1470032156 FEROXRPEMPYLQO-ZWKOTPCHSA-N 412.494 1.152 30 10 HDEE Cn1nc(O)c2c1CN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1470753509 MCQVCZPHPNJXCC-YZGUTLMUSA-N 415.494 1.797 30 10 HDEE CCOC(=O)CC1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)COC1 1472232881 QSABSSSPGHXJFO-UHFFFAOYSA-N 422.279 1.595 30 10 HDEE C#CCN(CC(=O)N1CCOC12CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1472397023 GDRGNYWWRSKHSD-UHFFFAOYSA-N 409.483 1.663 30 10 HDEE CCc1cc2oc(=O)cc(Cn3c(=O)c(C#N)cn(CCO)c3=O)c2cc1Cl 1473059664 UKFWCEHNVIRLNH-UHFFFAOYSA-N 401.806 1.244 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N2CCOCC2)cc1 1497971468 GPJVPHHYEQFKQA-YLJYHZDGSA-N 410.522 1.957 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1501401683 ZKWQXEQFFPOFJH-APWZRJJASA-N 407.522 1.968 30 10 HDEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1503528722 DPKAMDYOBDFAJG-KRWDZBQOSA-N 423.477 1.563 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2COCCO2)C1 1505316821 BHKREAVCCOVXJO-APWZRJJASA-N 405.405 1.854 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccc(C(=O)NC)c1 1507618215 JSVDUKKGFLIVJC-UHFFFAOYSA-N 422.514 1.747 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2C[C@H](C)OC)CC1 1507740353 RCVBAWSCCLZNTG-HNNXBMFYSA-N 401.536 1.931 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@@H](C)C1 1507764444 MIMACGHNXWJMDZ-IUVQAAGXSA-N 409.556 1.696 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507836086 WQTNEQCHVIHBBG-OAQYLSRUSA-N 420.558 1.310 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(O)CCOC2)C1 1508116299 ISMHAXFNHGOCIL-GHTZIAJQSA-N 400.479 1.886 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1509953471 MSXLTPOLZWCPJX-MNOVXSKESA-N 406.384 1.885 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCCCCO 1510202220 XQAJFIYHDVTZSB-MAUKXSAKSA-N 412.560 1.571 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H](C)O1 1512404051 AVSRCFXWKQDZQT-BFYDXBDKSA-N 415.519 1.865 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cscc2C#N)c1 1519090054 VGJSKINLXRGXHE-UHFFFAOYSA-N 420.516 1.959 30 10 HDEE C[C@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2nccn21 1526017096 HOXMPJMCWMLVFV-KBXCAEBGSA-N 413.503 1.978 30 10 HDEE Cn1ccc(N2CCC[C@H](NC(=O)c3cccc(C#N)c3Br)C2=O)n1 1530906773 DKLOZNJPTUYKJT-ZDUSSCGKSA-N 402.252 1.980 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)n1 1534878102 SWFASRRFMRKJBB-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE C#C[C@@H]1COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1535553126 RJGINYGWTQHGDT-QGZVFWFLSA-N 406.504 1.347 30 10 HDEE COC[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1535949850 FPWSVLLRPQDHDX-SFHVURJKSA-N 405.520 1.986 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1539052076 KWQPHNTVAPGKAL-UHFFFAOYSA-N 419.533 1.878 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(C(C)(C)C)no1)[C@@H]1CCS(=O)(=O)C1 1539220097 POIOLGRYMCGFRT-CQSZACIVSA-N 405.524 1.801 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2cccn2)cc1 1539317349 AOBGKTXXWKLZSE-HXUWFJFHSA-N 413.485 1.926 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@H]1C(=C)C 1539396857 SBZNOIGYSVICKB-MJGOQNOKSA-N 424.505 1.993 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1539417741 RVOMAUFIPGWOFS-DENIHFKCSA-N 411.506 1.688 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cncn2)C1 1539518324 XRSJLFLQBJMVDL-SJORKVTESA-N 401.540 1.972 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1539627324 IYEHARFRACKGOM-FPAYPSAMSA-N 416.526 1.900 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539801480 AZOPZDGYZWNUIS-KBPBESRZSA-N 403.936 1.742 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCCC3=O)C2)C1 1540496284 NDPVYFUGQRFFIV-ZGOJQLDESA-N 404.511 1.902 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@H](c2ccccc2)C1 1540868985 YRKHIZYPWORBGZ-LPHOPBHVSA-N 421.505 1.947 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(COC)CC1 1540873202 QUHXYGFKSCYLFD-UHFFFAOYSA-N 423.521 1.682 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540898692 RJQYSNUYOPHYMM-CALCHBBNSA-N 420.491 1.116 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1540903178 AATJCQPEMJTBRE-UHFFFAOYSA-N 413.588 1.818 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1544837697 KCYRDEORZCDJEM-HUUCEWRRSA-N 416.950 1.726 30 10 HDEE CC[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1545626798 ZEKXSOIMIUNHGU-HMWBCQRISA-N 412.498 1.687 30 10 HDEE CN(Cc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1554188029 WZIXPLXHWASDOD-RBUKOAKNSA-N 405.462 1.783 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccn3C)nnc2N2CCC(C#N)CC2)CC1=O 1555573343 AWLBAYRKKNHSNC-KRWDZBQOSA-N 411.510 1.518 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H]1O 1555942457 KKBXASSRCNLTCJ-KDOFPFPSSA-N 408.466 1.113 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1555990293 AXHUXVXBELMUHG-QGZVFWFLSA-N 413.503 1.930 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(Br)cc2c1OCCO2)C(=O)OC 1556375994 YMGLVMSVTURBQV-LBPRGKRZSA-N 400.225 1.694 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nnc3ccc(Cl)cn23)ccc1F 1557591937 BWIIFYMJHPEJGT-UHFFFAOYSA-N 423.857 1.916 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564585259 FBZJTDCDACKQAY-PKOBYXMFSA-N 406.458 1.349 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1565131997 OQEUSVHECHONAJ-UHFFFAOYSA-N 411.455 1.846 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC(OCC(N)=O)CC2)C1 1566113351 XWBHZNIZSJREMS-UHFFFAOYSA-N 421.295 1.250 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1 1583308392 QSIGVKYVXPJZBW-UHFFFAOYSA-N 403.454 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1587672782 GOEDRPBWMJIFPH-MRXNPFEDSA-N 405.524 1.515 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 1587744179 LGTBLKKFAHNMTP-BBWFWOEESA-N 419.503 1.615 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](CC(N)=O)C1 1587755327 YTJHQKUYEKJSIM-HNNXBMFYSA-N 412.494 1.901 30 10 HDEE C#CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1587898033 DOLGWDQHMMMRPF-LZJOCLMNSA-N 420.510 1.092 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CC(F)(F)C1(OC)CCOCC1 1588138765 IUVFTUBMEORLND-MRXNPFEDSA-N 408.449 1.686 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(F)cc(F)c1 1588638615 VHIAJONISKROEP-QGZVFWFLSA-N 403.433 1.836 30 10 HDEE C#CCSCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1589125765 QIUPRULGNYXSNM-UZLBHIALSA-N 421.567 1.352 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1594937289 WCKPVQYRTQNKJM-INIZCTEOSA-N 408.510 1.969 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)C1 1595545514 YBULXDBWGYJELJ-INIZCTEOSA-N 410.526 1.601 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC 1595551770 UUNCZUUIOMWRNZ-AWEZNQCLSA-N 408.503 1.345 30 10 HDEE CC(=O)N1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1596031606 QQTCYTKAQBAWOZ-FXAWDEMLSA-N 404.490 1.873 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CC(=O)Nc1ccc(F)cc1 1596782248 HBEULUWPTLSDOV-CYBMUJFWSA-N 401.446 1.790 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@]1(COC)CCCCN1C(=O)OC(C)(C)C 1597216401 CAVHMDQLODQSRO-SFHVURJKSA-N 404.529 1.510 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](CO)[C@H]3C)nnc12 1611231707 UIJSCIVIYODJOB-KGLIPLIRSA-N 413.503 1.552 30 10 HDEE Cc1nnc(N(C)C[C@H](C)c2nccs2)n1CCN/C(O)=C1\N=CC=CC1=O 1612534630 MIHPVRMCZORDBI-VVLLMFOMSA-N 401.496 1.809 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)c1 1613515238 RUYMMOQFWTWDTK-JOCHJYFZSA-N 415.409 1.655 30 10 HDEE CCOCc1nnc(N2CC[C@@H]3CCC[C@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1616836163 RDUVNBLFQAVJCK-VVWDJWGFSA-N 400.483 1.720 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)NCc3ccc(C(=O)NO)cc3)=NO2)C1 1618008332 VAHRGHACXWMESS-HXUWFJFHSA-N 418.450 1.578 30 10 HDEE COCC(=O)N(C)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132248 RALBUGRFHGMTCH-YUMQZZPRSA-N 412.277 1.721 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cnc(N3CCOCC3)s2)c1 1618283833 RBGBZLCSWDEZGT-UHFFFAOYSA-N 419.528 1.707 30 10 HDEE CC[C@@H](CO)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1623377045 JFFOHMUIDRYUGT-IOANDJKRSA-N 420.554 1.688 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 1625140199 RURRSVQUUAVUED-ZDUSSCGKSA-N 401.419 1.658 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 1628279128 YXHIHNSIFGOFTQ-JOCHJYFZSA-N 411.527 1.993 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C)CC2(C)OCCO2)s1 1628691644 ZIUWNPKRSGWBBI-ZDUSSCGKSA-N 402.538 1.660 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3cccc(F)c3)CC2)cc1S(=O)(=O)NCC#N 1631365186 LIYFLVWUNGVUGJ-UHFFFAOYSA-N 416.478 1.898 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCC(=O)NC3CC3)C2)C1 1632913397 KUKQYQFOLDBXHB-DBWCEAHUSA-N 404.511 1.948 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1636289193 PNUIIWZWRNZTNM-XUJQIHCRSA-N 405.520 1.956 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc2cccc(F)c2[nH]1 1636598877 BCCKYPIAPJZBSR-LLVKDONJSA-N 401.423 1.557 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1640460334 ZUMVNNYICMGKEQ-GOSISDBHSA-N 417.437 1.490 30 10 HDEE C[C@@]1(C[C@H]2CCCN2C(=O)Cc2ccc(Br)cc2C#N)NC(=O)NC1=O 1640484296 YIUFIDXGJVHAEU-KDOFPFPSSA-N 419.279 1.842 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1640817570 YXHKNKWXSAGISN-FQEVSTJZSA-N 404.515 1.795 30 10 HDEE C=CCC1(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])CCOCC1 1643561381 UGMCUGDZFCLLCN-UHFFFAOYSA-N 411.480 1.704 30 10 HDEE Cn1ncnc1C1(O)CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1644777397 NJFJPZILMASWHG-UHFFFAOYSA-N 420.267 1.338 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CCC1 1648399662 LCUKUPZTTPUFDK-CALCHBBNSA-N 419.547 1.959 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)N1CCN(CCC#N)CC1 1648963218 QCVXKJUGJBRAKN-CBBWQLFWSA-N 412.412 1.030 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OC 1652012786 GWKRDMWGMNVPBV-ZBFHGGJFSA-N 402.447 1.825 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1652332252 SFTMSFZYHGLETC-MRXNPFEDSA-N 414.510 1.166 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c(F)cc(Br)cc3F)C2)c(=O)nc1O 1653760665 ZFDJSBDMGAPYGM-UHFFFAOYSA-N 411.162 1.558 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ncccc1Br 1653766018 FNOZFIAIJQQWNK-UHFFFAOYSA-N 423.292 1.589 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CN2CCc3c(sc(N)c3C#N)C2)CC1 1656380550 ANEBGCGTOFMIGF-UHFFFAOYSA-N 405.524 1.639 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(F)(F)F)nn2C)n1 1661771010 VCWGFUAQGQWQSA-UHFFFAOYSA-N 405.402 1.106 30 10 HDEE CC[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)N1CCOCC1 1662562415 BUIRJQFBIKXCEY-OAHLLOKOSA-N 407.517 1.997 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(OC)c(OC)cc2Br)C1 1665457273 MFJTYFPFDPOBMZ-GFCCVEGCSA-N 417.325 1.842 30 10 HDEE Cn1cc(N2CC[C@@H](NS(=O)(=O)c3cc(Br)ccc3C#N)C2)cn1 1667423077 CRZNRJDCHQJFPF-CYBMUJFWSA-N 410.297 1.611 30 10 HDEE CC(C)NC(=O)OC1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1669522409 GIYHVKRJKROMIH-UHFFFAOYSA-N 402.270 1.828 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1ccccc1CN1C(=O)NC2(CCCCC2)C1=O 1677278498 MXWTYOFZMZQJGU-IBGZPJMESA-N 424.501 1.985 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F 1679366190 YPIQFZKYKBQUBF-GFCCVEGCSA-N 411.471 1.531 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1682155909 DOIXCFAHSFKQGP-IKGGRYGDSA-N 402.561 1.222 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)C1CCOCC1 1682516705 ADUKGWGBHQBSOR-UHFFFAOYSA-N 409.508 1.310 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1682794257 CYRBMUROMJEHSX-JQHMZKTJSA-N 421.538 1.494 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC[S@](=O)CC(F)(F)F)CC2)c(F)c1 1683793794 YFINDWBKCPPQOY-MHZLTWQESA-N 406.405 1.840 30 10 HDEE C#CCCCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1c1cnn(C)c1 1684601945 JWRKCGJDAMQQID-FIQGOXITSA-N 424.545 1.838 30 10 HDEE N#CC1(CNC(=O)N2CCN(Cc3ccc4c(c3)OCCO4)CC2)CCOCC1 1685656719 AZEZGOGLYKJTQN-UHFFFAOYSA-N 400.479 1.605 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689855899 FOCRWKDMNOWWJH-CVEARBPZSA-N 402.524 1.003 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1689987971 GRQPTVSLUXUWRO-HNNXBMFYSA-N 424.477 1.351 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1690077926 ZVGWICAEONONOT-OAHLLOKOSA-N 407.565 1.956 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1690104236 QLKPAJOREZZNEH-LJQANCHMSA-N 411.506 1.618 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N[C@H](C)CC)CC1 1690123954 ANLPXHXGJCGCSU-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OCCOC)CCOCC2)CC1 1690372141 BKXXWDOMDFBWIQ-QGZVFWFLSA-N 419.526 1.598 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1690596925 DVQXJXVRFNFWQF-HNNXBMFYSA-N 409.512 1.201 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CC)C[C@@H](O)c1ccc(C)cc1 1690667621 BKAPNEHFYIAJSZ-LJQANCHMSA-N 423.521 1.849 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOCC2)C1 1690700811 YFYXXKRCUSBDKF-OALUTQOASA-N 405.543 1.676 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)C1 1690700847 YQCHRUHOJRZYEV-RTBURBONSA-N 418.586 1.589 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1691483687 FULHETTWOJWXBX-LSDHHAIUSA-N 410.544 1.081 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1697986665 KEZVUZAMBZKEGD-NRFANRHFSA-N 414.510 1.268 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(C)(C)C(=O)NC 1705544234 JCJYGMOUEVNSMF-UHFFFAOYSA-N 415.494 1.813 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(=O)NC)c1 1705547433 SCUVUXQJPZJZGO-JOCHJYFZSA-N 411.506 1.602 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCS(=O)(=O)NC(C)C 1705675881 DUADUTINQXZMBV-HXUWFJFHSA-N 416.551 1.584 30 10 HDEE CC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1706060796 DDQIQRPFYOCNGW-PMACEKPBSA-N 424.505 1.758 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)C1 1706938570 NYVBVEBRSCNGOC-KXBFYZLASA-N 416.432 1.943 30 10 HDEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1712451841 HPHDRUDGEGLKMQ-MSUUIHNZSA-N 415.498 1.468 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ccccc2)CC1 1722440084 BJANJDHRUHVVKA-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(OC)CCOC2)CC1 1722446392 UWPJWWXIJUVBTE-QFIPXVFZSA-N 424.505 1.111 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1722506709 VRQCWBAWSQGVDJ-QINHECLXSA-N 416.526 1.049 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722629622 MTXQEKDHVJZAQH-SJLPKXTDSA-N 402.499 1.686 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1722635074 MGGLGWQJALSFNM-OAHLLOKOSA-N 414.466 1.970 30 10 HDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)C1 1729108449 GSDFPBGNVBPCSW-AVRDEDQJSA-N 410.522 1.746 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1730763466 FOLLFXDCARTAEF-JKSUJKDBSA-N 411.528 1.321 30 10 HDEE C#CCO[C@@H](C)C(=O)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1739185373 VRRCKYWIIBUAOD-ICQHIFQISA-N 400.450 1.520 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740575850 QQBFLECBLOHQQH-IRXDYDNUSA-N 409.556 1.446 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCS(C)(=O)=O 1740591594 PMQOHTCFHYQYJT-KRWDZBQOSA-N 404.492 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H](C)CN1CCOCC1 1740635083 ISGSSKXIJPDHRW-IBGZPJMESA-N 407.518 1.995 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740661750 IYYYTXJHNWKGFG-OAHLLOKOSA-N 405.524 1.599 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1740663453 JNSFVCZBHZTCME-LEWJYISDSA-N 401.511 1.401 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2F)n1Cc1nnn(C)n1 1740681929 YLWWPESBEMUHBA-UHFFFAOYSA-N 404.837 1.395 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(F)cc2)CC1 1740700620 DSTUVHOYICIXAQ-ICSRJNTNSA-N 413.497 1.945 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1740722212 BMCARAHVEALJAC-IAGOWNOFSA-N 419.551 1.324 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1740729430 GZNQFKVOMQWQLV-JOCHJYFZSA-N 404.474 1.668 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cncn1 1740935763 WHPAEFLPCBDOLO-GOSISDBHSA-N 406.494 1.756 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1740946776 GPIGWQCXXOUZES-OAHLLOKOSA-N 407.540 1.348 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740947438 ZDXGQVCCUQZVGJ-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1740955882 HRJKASSPLKUQDU-GOSISDBHSA-N 422.493 1.437 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCOC2(CCCCC2)C1 1740994698 VDHIKTHBVUIHKM-UHFFFAOYSA-N 412.556 1.955 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1741467226 DHLRNICXSTWVKQ-UHFFFAOYSA-N 404.496 1.056 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOCC3(CC3)C2)n1Cc1ccc(C#N)o1 1741946397 HLNAOXWSOCQREK-ZDUSSCGKSA-N 420.495 1.018 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1745200268 DEHRYRGPRNBRSX-ZBFHGGJFSA-N 401.515 1.522 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN1CCCO 1748638345 NISXXFDWURVEOD-SJORKVTESA-N 411.510 1.230 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CC1(NC(=O)OC(C)(C)C)COC1 1748780072 IOWXORGRQPYIKI-UHFFFAOYSA-N 400.483 1.647 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1748818194 XEHTWURSGRAPMN-DLBZAZTESA-N 418.494 1.596 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748818197 XEHTWURSGRAPMN-SJORKVTESA-N 418.494 1.596 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CCCN1C(=O)NC2(CCCC2)C1=O 1748860742 ZYEWCCWCCOHAHC-UHFFFAOYSA-N 410.522 1.804 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CC2)CC1 1749006477 OUOZAWWTOINJFM-UHFFFAOYSA-N 414.897 1.484 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1749115135 MEAMWDZZZHTLKQ-RYRKJORJSA-N 416.526 1.209 30 10 HDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1)c1ccccc1 1749242737 REGLZZAYYJGJFQ-NVXWUHKLSA-N 405.524 1.827 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCCN2CC)CC1 1749286729 QBFZPGQXQUGUBZ-DLBZAZTESA-N 410.588 1.919 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2CCCC[C@@H]2C1 1749650857 IHRIJOZQADURGR-HRCADAONSA-N 424.571 1.207 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2snnc2C)C1 1749712241 GYRGFTRHCXGNKL-ZIAGYGMSSA-N 424.552 1.170 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCC[C@@H]2C)C1 1749713092 OJFSFQSQEVJZFR-XLSPSMHOSA-N 424.567 1.513 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749741114 PWUJIWJRXKWHEC-HXUWFJFHSA-N 420.583 1.975 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760190184 TZZSDSCLQUVPMZ-BQFCYCMXSA-N 416.551 1.742 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1760195424 BJMNFKKKYDSASR-UGKGYDQZSA-N 415.538 1.112 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCNC(=O)c1cccc(O)c1 1760201346 QWFYIICKAOACIC-UHFFFAOYSA-N 416.485 1.882 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)NCCC 1760213191 SWWJRKLGOTWHLJ-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1760263303 VYPITITZSWVDMK-UHFFFAOYSA-N 421.611 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCCSC)CC1 1760268257 GMQUFIRCBKUZLB-UHFFFAOYSA-N 413.551 1.844 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(=O)C2CC2)CC1 1760346061 GIDJCOVHYMETEF-MRXNPFEDSA-N 407.540 1.205 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1760476313 NPLOBXPMMGCNGQ-UHFFFAOYSA-N 421.567 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(C)CN(C)C2=O)C1 1760536659 IPYHHGWXJVDCKX-MAODMQOUSA-N 419.526 1.190 30 10 HDEE CCC[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765642592 KWIVUBIJZNWNBC-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE CN(CC(C)(C)C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1767026682 JTUWUIHEAFFXEW-VLGSPTGOSA-N 410.482 1.744 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@H]1C 1769896013 FACODJNEIFEBMA-QZTJIDSGSA-N 411.554 1.924 30 10 HDEE CSC1(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1770472169 BTNUZHIRWBFUOO-KRWDZBQOSA-N 414.535 1.905 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1770730870 FSSYQCMQSANKHE-NRFANRHFSA-N 412.469 1.364 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1848837786 HMLVTPOHFDWWMM-CYBMUJFWSA-N 406.398 1.325 30 10 HDEE Cc1nn2c(c1C(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)OC[C@@H](C)C2 1851821081 VLSYUPYDVYQCLO-HNNXBMFYSA-N 410.478 1.466 30 10 HDEE CCOc1ccccc1-n1cnc(C#N)c1NC(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1852347031 JGCCIEKLKUOIBF-CQSZACIVSA-N 418.457 1.980 30 10 HDEE Cc1cc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)ccc1F 1852499349 HZDORHZILVTVCV-UHFFFAOYSA-N 406.425 1.647 30 10 HDEE C#CCN(C)C(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 1853216911 UAGMQIROFSWGDR-HXUWFJFHSA-N 421.501 1.802 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1853478596 RRDGHULTXSARDU-GOSISDBHSA-N 419.489 1.628 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C(=O)C12CCCC2 1853686129 OZHCBGMCXRHCKJ-UHFFFAOYSA-N 400.479 1.615 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2c(C)nn(C)c2C)C1=O 1854263489 VBJDATOVPQHADX-SJORKVTESA-N 401.511 1.277 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1=O 1854338961 SFAZCCYVOHWOLP-GDBMZVCRSA-N 412.446 1.131 30 10 HDEE CC1(C)C(=O)N(C(=O)CN2CCCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854514992 PZTQZXWTLQYDHZ-UHFFFAOYSA-N 418.519 1.182 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCO3)C(=O)C23CCCC3)cc1 1856299902 WMVHAMVFMQPGGJ-KRWDZBQOSA-N 417.487 1.410 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@H]1CCN(C)C1=O 1857053910 XVSHULIZOGYDGG-WMZOPIPTSA-N 414.506 1.496 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857097783 GCSLWIUTMADIGF-CYBMUJFWSA-N 416.434 1.295 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@@H]3CC(=O)N(C(=O)C4CC=CC4)C3)CC2)CC1 1857127077 DYYUWBGMTGZFKZ-SFHVURJKSA-N 412.534 1.802 30 10 HDEE CC[C@@H](NC(=O)c1cc(C)cc(S(N)(=O)=O)c1)C(=O)Nc1ccccc1C#N 1867236081 AFJWLOPVPGBKTA-MRXNPFEDSA-N 400.460 1.661 30 10 HDEE C=CCN=c1nc(Nc2ccc(O)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871717782 NKLQJRSVKZYRFF-UHFFFAOYSA-N 405.466 1.457 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2ccc(OC)cc2)C1 1890895011 AIUZMSDGSLVYQP-WOJBJXKFSA-N 400.500 1.703 30 10 HDEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C#N)cc3)CC2)cc1 1891327119 BKEQAFMMYYNGGP-UHFFFAOYSA-N 417.473 1.891 30 10 HDEE C=CCN(CC(=C)Br)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O 1962796472 JWZSFZKSSBCFNU-UHFFFAOYSA-N 416.316 1.989 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1n[nH]c(CCN(C)C(=O)OC(C)(C)C)n1 2012985553 KNCDQEKOPNLIBP-UHFFFAOYSA-N 424.321 1.864 30 10 HDEE C#CCn1ncc(N[C@@H]2COC[C@@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043991553 OVKDUNYTILLAMW-NEPJUHHUSA-N 413.272 1.343 30 10 HDEE CN(C[C@H]1COCCO1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116147488 DAMWWGSMNRNKCY-ZDUSSCGKSA-N 413.121 1.995 30 10 HDEE C#CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccs1)[C@@H]1CCS(=O)(=O)C1 2180116031 UOJBLSLKUAODAQ-HIFRSBDPSA-N 412.533 1.963 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)c(Cl)c1 2181082782 CLJRDYNVIFGVTB-CHWSQXEVSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C(=O)O)(C(=O)N[C@H](C(=O)O)C(C)(C)S)CC1 2195308266 VUONUCVURREHGY-SNVBAGLBSA-N 404.485 1.366 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CC(C(=O)N[C@H](C(=O)O)C(C)(C)S)=NO2)C1 2195311714 ZRJQARDQWPDAFP-PIGZYNQJSA-N 401.485 1.420 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2243685842 CNXZLSYWEWQIKD-GJZGRUSLSA-N 408.304 1.875 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NC2[C@@H]3CN(Cc4ccccc4)C[C@@H]23)OC1(C)C 2247828920 JOZCSLPPGLYXJF-IAGOWNOFSA-N 408.311 1.569 30 10 HDEE CN(C[C@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247830030 WWEGHRHFVDLZON-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247928386 BPLKLFIWFDYIGQ-UHFFFAOYSA-N 418.303 1.467 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247930411 RZOMWJHNNWBZIL-LBPRGKRZSA-N 423.323 1.005 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055054 KDCPYYYGZZMUBN-QWHCGFSZSA-N 418.303 1.561 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248058218 YFNNURPNZZBNAV-UHFFFAOYSA-N 420.319 1.809 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267714733 ZTRVAHHBZNDUFT-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 2281979550 DNDZCWPXNMHLQS-LLVKDONJSA-N 400.331 1.010 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](C2(C)OCCO2)C1 2282046690 ONEDUAZDMSIWHG-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)[C@@H](CN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282327953 QBKIINRXXUZNSB-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE CC(C)(C)NC(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341569 UPCHQZCWZSCIFZ-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CC1(C)[C@@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342076 BVTQXADCUPAUJY-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@]1(C)O 2282353340 GQONHHBUGWIADK-PXAZEXFGSA-N 401.359 1.829 30 10 HDEE C[C@@H]1[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282491717 OSALRZLTGXTMGZ-IAQYHMDHSA-N 400.737 1.749 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282829795 KJULFQFCNXBJPJ-MRXNPFEDSA-N 421.415 1.748 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1N 2282842136 TXQRHEKNOWQFNR-ZDUSSCGKSA-N 400.375 1.546 30 10 HDEE CO[C@@H]1C[C@H](CF)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282864376 FIHQDEFMLYBRDE-VXGBXAGGSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@H](O)C2)OC1(C)C 2282866972 RGYGMDNLKZDOCN-KBPBESRZSA-N 401.359 1.770 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284393992 SAUIEJICFYDEEZ-LLVKDONJSA-N 401.315 1.593 30 10 HDEE C[C@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284407079 GZUFVZYMUHNCBE-KOLCDFICSA-N 419.355 1.584 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284408251 UISNBZRJVPMSNL-NSHDSACASA-N 421.371 1.532 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H]2CC[C@@](C(=O)O)(C1)N2C(=O)OC(C)(C)C 2287345070 QEKSXJQIXDESDJ-PXAZEXFGSA-N 401.485 1.404 30 10 HDEE CCc1csc(C#C[C@H](O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2338630092 KXCBAQGFSQSPQI-GUYCJALGSA-N 400.522 1.500 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2365200896 CJBNGGVCTMTNTO-CLCXKQKWSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](O)C#CC1(S(C)(=O)=O)CCC1)C[C@H]1CCCO1 2367789800 FJYFVJCFXSHZLP-HZPDHXFCSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)NC[C@](C#CC1(S(C)(=O)=O)CC1)(OCC(=O)O)C1CC1 2367791638 YLTWYWOHQIEBNR-SFHVURJKSA-N 401.481 1.342 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc3c2=O)CC1 32819718 ZYPDMAQSBCEMEC-IBGZPJMESA-N 421.432 1.238 30 10 HDEE N#CCc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 49633522 MCNRMAPRBSQHDE-UHFFFAOYSA-N 405.501 1.765 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1CO)OC3=O 257500148 OCELUFZNLBUKGF-AQZPWELQSA-N 406.475 1.402 30 10 HDEE C[C@@H](C(=O)N1CCN([C@H]2CCCN(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409902218 FIBBWVMKZJUROI-HKUYNNGSSA-N 421.505 1.046 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c1 460687378 HRRORNALDNYFBI-UHFFFAOYSA-N 418.457 2.144 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 474619516 FDQMKCMVCWQFPP-UHFFFAOYSA-N 423.420 1.168 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 474777799 UTINIDRHVLTHOQ-QGZVFWFLSA-N 401.463 1.622 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1 475450844 GXBSVCITBQFGCM-UHFFFAOYSA-N 401.448 1.036 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN(CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1 478048222 QOCDQOAOLSMUBL-GOSISDBHSA-N 405.520 1.435 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nccn1CC(F)(F)F 481549300 WVRHFJYRPODXBI-LLVKDONJSA-N 415.397 1.300 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@H]1COc2ccccc2O1 482899746 MZYUECQRIFAYGD-CVEARBPZSA-N 408.462 1.798 30 10 HDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 487075413 HWSFYJCAIHTEHH-UHFFFAOYSA-N 419.425 1.883 30 10 HDEE C=CCN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)c1nc(C(=O)OCC)cs1 499587235 MKFZOKOPDBBSGT-UHFFFAOYSA-N 408.480 1.949 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 502616786 GBGBLYMLAIXFFU-IBGZPJMESA-N 409.508 1.815 30 10 HDEE CCn1c(=O)c(C(=O)CN2CCC(C)(C#N)CC2)c(N)n(Cc2ccccc2)c1=O 506041699 LENDXZZPWLIGNI-UHFFFAOYSA-N 409.490 1.469 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(C)(C#N)CC1 507826117 PKZRFMKZEKQGSQ-UHFFFAOYSA-N 407.492 1.482 30 10 HDEE CN(CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCCC1 517090208 IKVCAYYFEXUTGC-UHFFFAOYSA-N 419.551 1.449 30 10 HDEE Cc1nc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)cs1 532448757 AETQZPUCMJEXQH-UHFFFAOYSA-N 412.496 1.583 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 533300379 RVADTIJWLMWOCM-UHFFFAOYSA-N 423.535 1.189 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C2CC2)c1=O 542722432 GZAWGCDRVJEJNM-UHFFFAOYSA-N 424.482 1.587 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CCCC1 545357566 PYOLYKKGBODWGY-IBGZPJMESA-N 416.547 1.823 30 10 HDEE COc1cc(CNC(=O)NCCCN2CCN(c3ccncc3)CC2)ccc1C#N 555145080 PNNNXLITYMMHAE-UHFFFAOYSA-N 408.506 1.973 30 10 HDEE N#Cc1cccc(C(=O)[C@H]2CNCC[C@@H]2NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 585837352 DZBTUHKNDXVBJT-ROUUACIJSA-N 423.385 1.965 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCc3nc[nH]c3C2)c(C#N)cn1CCOC 589335558 OTNDBNGHZLPXFN-CYBMUJFWSA-N 400.439 1.585 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1C[C@H]1CCCO1 726180300 ZIYKEPFFHPMPCN-MRXNPFEDSA-N 414.531 1.331 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(CCCCC(=O)OC)C1=O 726887683 JDWZZTAQEKRUBE-ZDUSSCGKSA-N 408.480 1.501 30 10 HDEE C#CCN(C(=O)c1ccc(C)c(I)c1)[C@H]1CCS(=O)(=O)C1 729333148 PCANXDXVIPUEQX-ZDUSSCGKSA-N 417.268 1.862 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 731988906 JRCKZHYIGNKOAG-NCRRVARUSA-N 421.482 1.866 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCC[C@H](C(F)(F)F)C1 741339540 HDQUBAWUQXDXAD-YOJQOHNYSA-N 403.357 1.247 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H](O)[C@@H](O)c3nc4ccccc4s3)CC2)n1 761042470 LCPRRLIYKLZHPZ-MSOLQXFVSA-N 409.471 1.306 30 10 HDEE CC#CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 762746549 KXUJQAJHQUAKSC-UHFFFAOYSA-N 401.282 1.223 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N(C[C@H](O)c1ccc(F)cc1)C1CC1 763003488 YCXAKSURLKZXPO-KRWDZBQOSA-N 417.462 1.589 30 10 HDEE C=CCn1c(-c2ccccn2)nn(CN2CCN(c3nccn(C)c3=O)CC2)c1=S 765052469 FGNSHHRGGVPAPL-UHFFFAOYSA-N 424.534 1.535 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 771589191 IXUOLIBIUDUTJK-OAQYLSRUSA-N 408.543 1.613 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(C)nn1C1CCOCC1)c1cc[nH]n1 772434833 JMUUNKKOYCQREC-UHFFFAOYSA-N 404.427 1.189 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774194883 JOZDWPSIDFQQRQ-CRAIPNDOSA-N 403.504 1.706 30 10 HDEE C#CCN(C(=O)NCCCC(=O)N1Cc2ccccc2C1)[C@H]1CCS(=O)(=O)C1 774213058 MIRMDYZCFPKYTL-SFHVURJKSA-N 403.504 1.141 30 10 HDEE COc1cc(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)cc(OC)c1OC 780208024 YEWBYLZQNLWJII-SFHVURJKSA-N 400.387 1.799 30 10 HDEE CCN=c1nc(NCC)nc2[nH]nc(SCC(=O)N3CCC(C)(C#N)CC3)n12 780779430 DDMSDKWHJPBDFQ-UHFFFAOYSA-N 403.516 1.049 30 10 HDEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 781441665 JACCZCXHLWHRIJ-UHFFFAOYSA-N 423.450 1.332 30 10 HDEE O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1NN=CCC[C@@H]1CCOC1 786035318 ARZRLWWOPLJBFI-CQSZACIVSA-N 412.468 1.830 30 10 HDEE COC(=O)c1ccc(COC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 793398673 GPFALLKNVDVLKX-GFCCVEGCSA-N 403.416 1.150 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C1 796129304 NYLZKTJRYAMVQW-HZPDHXFCSA-N 413.503 1.579 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1c(F)cc(F)cc1Br)n1cnc(C#N)n1 798740451 SWNDZGHOWUKDIQ-SSDOTTSWSA-N 414.166 1.933 30 10 HDEE C[C@@H](C(=O)OCC(=O)Nc1ccnn1Cc1ccccc1Cl)n1cnc(C#N)n1 798745777 VMWWIXSMCFKBCA-LBPRGKRZSA-N 413.825 1.791 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)n1cnc(C#N)n1 800608898 QCZRIIMPDVWISW-GDBMZVCRSA-N 411.466 1.926 30 10 HDEE C[C@H](OCC(=O)NS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1)c1nccn1C 805843954 ZEJUEBSFMBEJAW-JTQLQIEISA-N 416.381 1.893 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)OC(C)(C)C)CC2)nc1=NC(=O)c1cc(C#N)ccn1 807449104 FXHJXSREEYEREJ-UHFFFAOYSA-N 411.466 1.870 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)cc1Br 809124998 WXDZUQUDNICWRI-CKLFPEKLSA-N 403.229 1.690 30 10 HDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCc2ccc(C#N)c(OC)c2)n1 810224132 DRQJIKWQJHHDJW-UHFFFAOYSA-N 405.480 1.828 30 10 HDEE C#C[C@H](NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 812354633 XSIYWKXUNZQKHK-INIZCTEOSA-N 410.861 1.952 30 10 HDEE Cc1ccccc1C(=O)NCC(=O)Nn1c(C)c(Br)c(C)c(C#N)c1=O 816410676 HLPOCKPFIULRNV-UHFFFAOYSA-N 417.263 1.908 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nnc2n1CCCCC2 817008093 DLQGNVJWWITKGT-CYBMUJFWSA-N 416.507 1.311 30 10 HDEE CCNC(=O)[C@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 914552007 RFZPUVGSEDQBGB-XHDPSFHLSA-N 406.483 1.951 30 10 HDEE N#Cc1ccc(N2CC[C@H](OC(=O)Cn3c(O)nc4ccccc4c3=O)C2=O)cc1 915403482 VMSGPBBNCKKFBF-KRWDZBQOSA-N 404.382 1.322 30 10 HDEE CCN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C[C@H](C)C#N 920087262 GQUPGXDBWAPGQC-GIIHOQTISA-N 404.536 1.613 30 10 HDEE CC(C)CNC(=O)CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1 1084584507 HIWJRWCHYYGMPB-UHFFFAOYSA-N 422.427 1.931 30 10 HDEE COCCCn1nc(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)ccc1=O 1127893768 YGIYMAQEDBBGOT-UHFFFAOYSA-N 406.446 1.482 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1131708242 CVVDGSMAQVULJP-GOSISDBHSA-N 408.520 1.185 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCN(S(C)(=O)=O)CC1 1136137643 GFLNJHKEVBEXRG-CQSZACIVSA-N 402.517 1.067 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)s1 1137062250 XSMSJYWFBWHTBA-JTQLQIEISA-N 400.913 1.601 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNC(=O)c3c[nH]c4ccccc4c3=O)CC2)nc1 1148315218 VDRGKWRBJZOCPG-UHFFFAOYSA-N 415.453 1.931 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[S@](=O)c1ccc(Cl)cc1 1150868798 BJDCCHIGMBUHIJ-QWVSSGJLSA-N 403.895 1.847 30 10 HDEE C=CCCC[C@@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OC 1155475235 NVXVHHNCDPCSAQ-GXTWGEPZSA-N 400.522 1.602 30 10 HDEE CCOP(=O)(CN(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)OCC 1163282146 ZHTHHDMSQNSLMS-ZDUSSCGKSA-N 417.424 1.907 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CC3(n4cnnn4)CCOCC3)CC2)OC1(C)C 1176612717 WGQONBFVLGSOLY-UHFFFAOYSA-N 405.308 1.654 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C)C3)ccc2c1=O 1184404120 JMMGDZARPVKKHG-ORAYPTAESA-N 419.528 1.378 30 10 HDEE CC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cc(C#N)c(I)n1 1189592221 OBTVXFXXBGQGGF-AWEZNQCLSA-N 422.226 1.676 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1)C(C)C 1211221349 DVFSFYMAQFDWPG-QGZVFWFLSA-N 410.559 1.966 30 10 HDEE C#CCN(C(=O)NCCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 1230543010 WEPDTUSYUBZICH-ZDUSSCGKSA-N 400.403 1.383 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1253779514 PRLXZVGTEVMXSQ-HOTGVXAUSA-N 423.510 1.657 30 10 HDEE N#CC1(CNC(=O)N2CCN(Cc3nc(-c4cccs4)no3)CC2)CCOCC1 1256339134 DFFANPUZUNMRTQ-UHFFFAOYSA-N 416.507 1.946 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)Nc2ncc3c(c2C#N)COCC3)CC1 1276480642 BZMNQWLAVCVOIH-UHFFFAOYSA-N 416.478 1.302 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1286277509 DKRMHUNQHBXYFY-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#CCCCn1c(N2CCN(c3cnccn3)CC2)nnc1[C@]1(OCC)CCOC1 1286359297 BJHHTHLVFQPXCD-NRFANRHFSA-N 411.510 1.460 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1286522900 PQWJLTWPGVBRKM-VQIMIIECSA-N 402.524 1.377 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1286727768 ZETLEDPOABPAQD-SFHVURJKSA-N 419.551 1.866 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1COCCO1 1286762560 JGJPGSCKOUSIOQ-RBUKOAKNSA-N 411.506 1.880 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1286783463 RTBMILCVAOFRAW-CYBMUJFWSA-N 404.902 1.719 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1286791672 YXLXJWOHGSZTEM-UHFFFAOYSA-N 400.483 1.334 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCSCC1 1286815877 BPQXXXUQGJTSBD-UHFFFAOYSA-N 422.532 1.828 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1286916625 OUQOXUSGFXJDMB-VQTJNVASSA-N 424.505 1.462 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1286960590 HRKBSVMBZCCAEJ-XFQAVAEZSA-N 418.542 1.829 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1287474671 DOYXOCGOKZQUHC-IBGZPJMESA-N 413.570 1.960 30 10 HDEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)s1 1290679448 XLCKQTPVNXCIKX-AWEZNQCLSA-N 416.511 1.036 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1292493939 DGMHOLPEJXOKDA-HZPDHXFCSA-N 409.531 1.277 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1 1292890023 SPBSTXCEXZQIDO-DLBZAZTESA-N 420.554 1.210 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CC[C@@](F)(C#N)C3)cnn2c1 1296446708 MJIIIKRLKKZLNL-LJQANCHMSA-N 402.430 1.874 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@H](C(=O)N[C@H]1CCN(O)C1=O)C2 1298424105 DQANYSPUAMMOCG-JSGCOSHPSA-N 421.450 1.476 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](OC)C2CCC2)CC1 1299464017 KDMXYPCGOZFPNA-BCRJPVCJSA-N 400.519 1.678 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(OCC2CC2)c1 1300532071 MALPDGHNOHGRFH-GOSISDBHSA-N 404.474 1.534 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)CC)CC1 1300696039 RMHJDYXQWQORQY-SSEXGKCCSA-N 424.574 1.961 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(C)C)N2CCOCC2)CC1 1300696234 VXZDSPWMOXEDNA-HXUWFJFHSA-N 411.554 1.385 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC(=O)NCc1ccco1 1300813095 ADOGFAVVVGWDPN-OAQYLSRUSA-N 410.478 1.302 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CC(=O)NCC)CC1 1300895730 BCMNVYHNWZATTN-PXNSSMCTSA-N 420.558 1.054 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCN(C)C1 1301417927 YEVMIZUEJWDHJU-HXUWFJFHSA-N 416.482 1.559 30 10 HDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1302464746 DWVANUJECIMZBF-KRWDZBQOSA-N 415.519 1.867 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@@H]3CCOC3)nnc2N(CCC#N)CC2CC2)C1 1302467476 ANFKBLQFPRHHLL-IAGOWNOFSA-N 422.555 1.194 30 10 HDEE CN1Cc2ccccc2[C@@H]1CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1302594055 QAZIWFJRNURCSW-SFHVURJKSA-N 412.515 1.808 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1302831516 CPNFFTSMBXTQCA-VBKZILBWSA-N 412.483 1.753 30 10 HDEE Cc1cccc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)n1 1304489339 FKAHBHZLWVALDP-ZFWWWQNUSA-N 405.528 1.430 30 10 HDEE O=C(Cn1ccc(=O)c2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1306892199 BEVYPXPMKYRCBJ-UHFFFAOYSA-N 405.410 1.906 30 10 HDEE C#CCOCCN(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1307692384 ZBTYCMPRJAJIBB-UHFFFAOYSA-N 404.326 1.954 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1 1312626539 OPYCYHOQNANRIF-JFOKYPEXSA-N 400.504 1.354 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1313043320 VRXFEZSJGHTADC-GFCCVEGCSA-N 401.345 1.068 30 10 HDEE CN1CC[C@](O)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)C1 1314929453 XDYYXKSAUQMYTO-LAUBAEHRSA-N 412.494 1.020 30 10 HDEE COCCOc1ncccc1Cn1c(CC(C)C)nnc1N1CCO[C@@H](C#N)C1 1316231338 TXFOBWSGBMNRAR-KRWDZBQOSA-N 400.483 1.674 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)NCc3ccco3)CC2=O)cc1Cl 1357518066 ANDMHVJAQLQUNY-ZDUSSCGKSA-N 400.822 1.590 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1358911831 DOVZBORUEIVIMG-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC[C@H](O)C1 1358941363 HGUFVGMNZPRHOF-RDJZCZTQSA-N 402.520 1.969 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCOCCN(C)C)CC1 1359045001 TYPHYRKTIOAZKO-UHFFFAOYSA-N 416.570 1.480 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359060316 RFOZYQJHPIBKRC-GVDBMIGSSA-N 403.552 1.486 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)C(=O)C1 1359136958 AATBRIUEPOQBSV-LPHOPBHVSA-N 419.526 1.406 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359149460 AMSJPCWNFHAENL-HUUCEWRRSA-N 423.949 1.018 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc2c(c1)OCO2 1359297982 IXPXCQYNIRERPP-UHFFFAOYSA-N 409.450 1.346 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(CC#N)CC1 1359326981 ORPNDIXCMAPZIJ-UHFFFAOYSA-N 408.528 1.147 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCN1CCCS1(=O)=O 1438220289 WBOMWUDXPJYSAS-AWEZNQCLSA-N 402.517 1.115 30 10 HDEE C#Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cn1 1447864696 BTGNOOOXBKQMSF-UHFFFAOYSA-N 405.439 1.857 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C[C@H]2COCCO2)C(F)(F)F)n1 1448864129 ZIOVMGLQUOLSNQ-JKSUJKDBSA-N 403.401 1.475 30 10 HDEE COc1cc(NC(=O)c2ccco2)c(C(=O)N[C@@H]2CCCN(O)C2=O)cc1OC 1450276569 ZZDIEJRPQRKAEG-GFCCVEGCSA-N 403.391 1.659 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cc(C)c(C#N)cn2)CC12CN(C(=O)OC(C)(C)C)C2 1456288932 HUEBCLHFPSXNJZ-HNNXBMFYSA-N 414.462 1.744 30 10 HDEE CCCO[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)cc1C 1457197238 FCXDFXCXWOOAIA-QGZVFWFLSA-N 400.410 1.819 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1462892436 PBBUVNFRCIUPKY-ZDUSSCGKSA-N 406.386 1.226 30 10 HDEE CN(CC(=O)NCc1ccco1)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1464856521 HYSFSYWFODVITJ-CQSZACIVSA-N 414.849 1.932 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)CC1 1465436319 NMYDPIOHOCEGSN-UHFFFAOYSA-N 413.522 1.302 30 10 HDEE N#Cc1cn(CCC(=O)N2CCN(CC(F)(F)F)c3ccccc32)c(=O)nc1O 1465634986 CNSHZEPVYVTUHC-UHFFFAOYSA-N 407.352 1.626 30 10 HDEE COCCn1nnc2c1CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1468365837 NAZFHKGFFQYAOA-UHFFFAOYSA-N 417.510 1.460 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CNC(=O)CNC(=O)OC(C)(C)C 1468607580 IKSJNZXRMXFREG-UHFFFAOYSA-N 404.467 1.174 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)CC1 1468933934 HYAHUCGTDCDJDA-IBGZPJMESA-N 414.506 1.418 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1NC(=O)C[C@]12CCCC[C@@H]2C 1470108966 VTRZHSYJAIFKFZ-NJSLBKSFSA-N 404.492 1.437 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1 1472863682 TZRCWMLHBNJBSR-UHFFFAOYSA-N 408.487 1.281 30 10 HDEE CCOc1ccnc(N2CCCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)n1 1473274782 IMZYULCIXDLSLI-UHFFFAOYSA-N 419.485 1.687 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)c1ccccc1 1477816425 SVFAHBGZVKQIKT-SFHVURJKSA-N 401.488 1.473 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)no1 1498328614 BYCIXFUFTDTPLG-CQSZACIVSA-N 420.477 1.672 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CC1 1503970351 GAVFTHWWSRZPMN-MSOLQXFVSA-N 415.519 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507606128 AQIXWKCUBHOEKR-INIZCTEOSA-N 412.450 1.020 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1507612973 WHUVZFRLQRUSMG-OAHLLOKOSA-N 408.462 1.160 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCN(CC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1507632649 ORQVXBHXMKZNPN-ZWKOTPCHSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCNC(=O)C1CC1 1507663103 SLLFPXCMGKCNHE-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1507820140 YLOOLKVBBSROFM-SFHVURJKSA-N 408.506 1.966 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507962573 UBQSLXKQUUCFHV-QGZVFWFLSA-N 423.477 1.357 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1508004624 JAVJFPFYEMOXCN-AWEZNQCLSA-N 423.514 1.745 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1508004703 JAVJFPFYEMOXCN-CQSZACIVSA-N 423.514 1.745 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)C2CC2)C1 1508127922 NLJVLQPGYAYQCC-QGZVFWFLSA-N 416.551 1.941 30 10 HDEE Cn1cc(I)c(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)n1 1517844277 ORQWZDYHPJDSGD-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE COc1cc([C@H](C#N)NC(=O)c2cn3c(n2)C[C@@H](OC)CC3)cc(OC)c1OC 1521185175 HFDMWBLIGWAPSZ-KBPBESRZSA-N 400.435 1.865 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@@]23COCCN2C(=O)OC3)cc1Br 1535462147 WPKKGLQKZDYYOM-INIZCTEOSA-N 410.224 1.037 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1535592744 DPLKBTMVUAFEFT-UHFFFAOYSA-N 417.487 1.923 30 10 HDEE CN(CC(=O)N1Cc2cccc(C#N)c2C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1537887038 HYJSWWUBWPYNTE-UHFFFAOYSA-N 400.416 1.629 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1539086148 YLEPSNGAXWHHQZ-UHFFFAOYSA-N 416.526 1.985 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@H](C)C1 1539171590 LLOSJPJADUHWDG-KRWDZBQOSA-N 419.533 1.993 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(=O)NC)c1 1539200576 LBOCWRZKLCXBQF-OALUTQOASA-N 411.506 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539257731 WFQJSDONWVKXNE-INIZCTEOSA-N 411.510 1.912 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC 1539265519 HHPVTWBJBYCXEI-INIZCTEOSA-N 407.540 1.120 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)CC 1539268369 NVEXEKHLMSEVFQ-UHFFFAOYSA-N 406.458 1.655 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(C)C)cs1 1539414240 SJQFIHLMHWKWHA-CQSZACIVSA-N 402.524 1.943 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCOC1 1539421553 UJPZWBRLXRCPRO-OAQYLSRUSA-N 400.479 1.403 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](OC)[C@@H](C)CC)CC1 1539459811 OPXRUBYEZIJGKK-PXNSSMCTSA-N 413.570 1.956 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccnc(-n3cccn3)c2)CC1 1539462520 WSTCLAVVQOGKQD-UHFFFAOYSA-N 406.494 1.199 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(CC)CCS(C)(=O)=O 1539798071 BMKDAMIFHHNQOZ-UHFFFAOYSA-N 415.903 1.629 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1540037985 VYMHZKXWYFZWTO-UHFFFAOYSA-N 418.586 1.958 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@]2(CCCOC2)C1 1540901056 RHEPLZNMTYJWFX-HXUWFJFHSA-N 417.535 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(C)CCc1cnccn1 1540901074 RTAXGVJYGJZZMR-UHFFFAOYSA-N 413.507 1.410 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1541678640 FXGXFXGKHIHSAB-HZPDHXFCSA-N 403.531 1.265 30 10 HDEE C=CCCn1cc(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nn1 1543173332 GQYILTPDRWRBIP-UHFFFAOYSA-N 400.458 1.462 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1554242447 FHDIRFYXTJVGBO-MRXNPFEDSA-N 408.466 1.378 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCC1 1555742008 GRDWERZNAMHLSR-BXWFABGCSA-N 406.506 1.928 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@@H](O)C1 1555753955 ZBQGMEMVOSSYQH-ILOCAZANSA-N 405.499 1.282 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)c1 1557031038 VIKNXVJHOYYSCU-QGZVFWFLSA-N 415.471 1.449 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 1558073704 XUPDZEHLKXBKRS-UHFFFAOYSA-N 407.495 1.312 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1559942345 UNVKLYYLBIVYHH-DNVCBOLYSA-N 409.483 1.350 30 10 HDEE CS(=O)(=O)[C@@H]1CN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C(F)(F)F 1559994659 JAKNJPKXNHUCQD-QLFBSQMISA-N 401.410 1.571 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)NC2CC2)cc1 1562388526 CDWGNJADBDQXQE-UHFFFAOYSA-N 407.492 1.936 30 10 HDEE COC(=O)[C@H]1CN(C)CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 1562537387 GACZDJVFBMDATL-AWEZNQCLSA-N 416.869 1.966 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)C1 1563413064 FKPASCSEQNYKGD-TZIWHRDSSA-N 400.523 1.465 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2CCCCCN(Cc3ccccc3)C2)c(=O)nc1O 1565200383 YVXLWVIIPOEFDK-IBGZPJMESA-N 424.505 1.565 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1565769464 DTDNVHNKHXOPAA-QGZVFWFLSA-N 422.890 1.308 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3F)no2)CC1 1568701458 RITUMVHBSGZZAL-UHFFFAOYSA-N 404.829 1.641 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H]3CCCN(CCCO)C3)C2)C1 1569250806 HGEABRQEISJTCN-YHHIVYBXSA-N 420.554 1.736 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)nnc1-c1ccco1 1583262190 AWXNXTKXLOZQPC-JOCQHMNTSA-N 410.521 1.898 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)c2ccc(F)cc2O1 1583364255 QTESAGYEKDNKRC-DVEDPGPFSA-N 403.366 1.009 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccc(F)cc2O1 1583364259 QTESAGYEKDNKRC-ZDBRSUKYSA-N 403.366 1.009 30 10 HDEE C=C[C@H](C)ONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583407900 IDTMCTXYJIVLAQ-GXFFZTMASA-N 423.413 1.240 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 1588199631 VNNIPPSPSMOOMQ-GJZGRUSLSA-N 416.330 1.709 30 10 HDEE Cc1cnc(C2(NC(=O)C[C@@H](C)/N=C3/NS(=O)(=O)c4ccccc43)CCC2)[nH]1 1588260737 KCDILIBIILHFIH-GFCCVEGCSA-N 401.492 1.731 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O 1589459645 AQCKPTFASABVQI-GFCCVEGCSA-N 407.334 1.909 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1593763274 FWPLAGMTZGOTTG-UHFFFAOYSA-N 410.478 1.600 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1595418210 DBNYZUUTXUENOC-UHFFFAOYSA-N 406.494 1.965 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(C(=O)OCC)c2ccccc2)c1 1596548061 RXGBWVZTKRNPSX-OAQYLSRUSA-N 414.483 1.806 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1[C@H]1CCCOC1 1603346011 LZVUTCPTXZKGOY-ZFWWWQNUSA-N 403.464 1.412 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1606958621 POZBHMWTIGIAKA-YWZLYKJASA-N 401.515 1.474 30 10 HDEE N#Cc1cccc(Br)c1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1612177373 BMQLEFANXLHUIH-AWEZNQCLSA-N 414.325 1.952 30 10 HDEE CN(C)Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1Br 1616553579 UBJSKTCVPRDNPK-UHFFFAOYSA-N 420.267 1.673 30 10 HDEE CCOCc1nnc(N2CCOC(C)(C)[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1616955023 DOIKTTLUEAJZTO-IAFNSTAXSA-N 418.498 1.345 30 10 HDEE COC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1619694533 IESDBLPAQAPYQY-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCSCC1 1620385261 SLAJWPSFHYILHB-VLGSPTGOSA-N 411.491 1.420 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(CC(=O)N1CCN([C@@H](C#N)c3cccs3)CC1)CC2 1620561994 RAOFDYKZWZBZDW-CDXJDZJCSA-N 416.547 1.875 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)C1 1622551766 ZQBMHPLEKFCBTC-ZDUSSCGKSA-N 400.884 1.511 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncnc(O)c2Br)[C@H](C#N)C1 1624819296 IEJVCWNUCNKPED-RKDXNWHRSA-N 412.244 1.434 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)CC1 1630039597 ZDAILEDCLIJXPH-WIYYLYMNSA-N 400.475 1.789 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)NCC2(C#N)CCC2)cc1 1630198185 IFOKLOQJVRFWPF-SJLPKXTDSA-N 405.520 1.744 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C2\SCC(=O)N2C)cc1 1630385899 HZFPGWODFAAVKU-BQVKTAIQSA-N 408.505 1.485 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4CCOC[C@@H]4C3)C2)C1 1632568531 PJXJQNREAXFBMO-GWWPLSDWSA-N 404.511 1.316 30 10 HDEE COCCn1cc(CNC(=O)c2cc(C3CC3)nc(SC)c2C#N)c(O)nc1=O 1632998319 SFZXRKKZOSYRMQ-UHFFFAOYSA-N 415.475 1.391 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1 1634554925 MALUUHZEBMELIA-AWEZNQCLSA-N 418.291 1.649 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)C1=O 1635209837 PBWGLCBCZNZYMM-VBKZILBWSA-N 411.474 1.207 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1c2ccccc2CN1C)/N=C1/NS(=O)(=O)c2ccccc21 1635901557 WOGNBCBTZPEXMT-RDTXWAMCSA-N 412.515 1.807 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@](C)(CNC(=O)OC(C)(C)C)CC(C)C)CC1 1635992866 CPRKKILUJPFJPL-QFIPXVFZSA-N 422.570 1.457 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)C2)nc1 1636786806 SKEAFAIFMITBCX-OFNKIYASSA-N 406.486 1.960 30 10 HDEE C[C@@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1637079006 RRVCGSCIFZAIPA-KFWWJZLASA-N 401.529 1.998 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCc3cnc(O)nc3)C2)C1 1638991449 HNGFJMXQRNWNOC-CHWWFWEZSA-N 401.467 1.628 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(-c3nccn3C)[nH]n2)s1 1640088006 LUGUERKFYKYFFS-UHFFFAOYSA-N 406.493 1.517 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1640972709 VCGFPZKZCURXJF-KRWDZBQOSA-N 408.543 1.565 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3OC)CCCCC2)CC1 1643372414 KKQMYMOWWGEFMA-UHFFFAOYSA-N 419.547 1.509 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 1645173252 FNJHLDIYRBIVQS-KRWDZBQOSA-N 406.531 1.736 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1645711078 BUUFVQVAVSALIF-CJNGLKHVSA-N 417.491 1.398 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CC[C@@H]2c2ccc(Br)cc2)C1=O 1646298508 KUXBRDIUTYSGDS-CYBMUJFWSA-N 406.236 1.699 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nnc(O)n2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1649385816 XKDSBGKUIDDYBJ-CQSZACIVSA-N 403.483 1.407 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCC#C[C@@H]2CCCCO2)cc1OCC 1653541048 VSJHLLWCBGIPNT-INIZCTEOSA-N 424.519 1.451 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 1654912156 KKGXMFRIUVDBCU-SJORKVTESA-N 403.552 1.257 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCC[C@@](C#N)(c2ccccn2)C1 1655280284 DXLZBCKFFAUZJN-YWFITGJYSA-N 400.504 1.919 30 10 HDEE C#CCNC(=O)C1CCN(Cc2cn(CC(=O)OCC)nc2-c2cccnc2)CC1 1659580516 KDMOKYXDSBLOHR-UHFFFAOYSA-N 409.490 1.470 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(C(=O)NCC(=O)N(C)C)c(Cl)c2)CCOCC1 1669387683 HMLRBZOVXVJROF-UHFFFAOYSA-N 420.897 1.852 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1671198495 BEBUVAWDHPQZPC-INIZCTEOSA-N 416.521 1.304 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1F 1674036591 QVMAJGNOIRJOCK-YLJYHZDGSA-N 423.872 1.813 30 10 HDEE N#Cc1ccc(CCNC(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 1678721745 HETSOVUORCTFON-UHFFFAOYSA-N 404.414 1.714 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689934228 NLTLXJDQQCQITE-KRWDZBQOSA-N 402.524 1.195 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(F)cc2Br)n1CCCn1cnnn1 1689953836 ATJQCQSBFPYQMH-UHFFFAOYSA-N 419.262 1.993 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(OC)C1CC1 1690103633 FFPJYAHRKZSIMW-KXBFYZLASA-N 410.540 1.081 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690464556 FGAMMYBYEQBMCO-HUUCEWRRSA-N 416.569 1.160 30 10 HDEE C=CCNC(=O)NC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 1692069944 NZUMCCJZEBZWDW-ZSXDVEMLSA-N 402.539 1.817 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCn2cncn2)CCOC1 1692577568 BFUKJDZEFINNDC-WOJBJXKFSA-N 414.514 1.740 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)C(=O)C1 1705508856 XCYJXJVNCKTECM-UHFFFAOYSA-N 407.478 1.540 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1705519984 DSCQVYZKPJUFOA-UHFFFAOYSA-N 420.521 1.600 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705522685 CVCNAHSRLNVLMV-JKSUJKDBSA-N 407.478 1.396 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccn2)CC1 1705533255 WNKOMKVYPGPOGK-QGZVFWFLSA-N 414.535 1.315 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CCCS(=O)(=O)Cc1ccccc1 1705550517 MBDWXIIKXHQDHK-UHFFFAOYSA-N 412.519 1.753 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1705561800 WMNRIDMVUFPAKT-QGZVFWFLSA-N 423.583 1.677 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1705565642 JBJABYLTZCTPIQ-DLBZAZTESA-N 410.540 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@](=O)CC 1705596043 PZZVYCUQASNNAR-SSEXGKCCSA-N 422.514 1.825 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1705611593 JNMFMDHEAYXVQD-QGZVFWFLSA-N 415.519 1.282 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC=C)CC1 1705648353 RRKGZXLKXBGGGT-QGZVFWFLSA-N 419.551 1.112 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(CCOCC)CC1 1705699437 GWPOIVZJHDXGIC-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C)C1CC1 1705855027 UOHDZPSSYTYTMB-HOCLYGCPSA-N 409.556 1.812 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)C1 1705924059 ACXYDRSJZQEVNH-KBPBESRZSA-N 424.552 1.170 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)NC)C1 1710847489 HDZSZPUNYSWGRF-SFHVURJKSA-N 412.494 1.585 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1712416299 HXLQZWSXLGJBRW-UHFFFAOYSA-N 401.467 1.353 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)[C@H](OC)C1 1722458536 MPDNSQBAIPTQDK-IYBDPMFKSA-N 419.507 1.222 30 10 HDEE CC(=O)Nc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1722807489 GABLGERYRZBFQP-LJQANCHMSA-N 409.429 1.522 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1726418651 APBQFOTYUVVKJH-OUCADQQQSA-N 423.543 1.893 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1729298085 WUFNXPSBBBZYQL-RTBURBONSA-N 424.505 1.651 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)CC#N)CC1=O 1730777667 HLLSDDICYOQWHS-ZACQAIPSSA-N 404.515 1.753 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ncc(C)o1 1736553385 CEZSFMXPKXQDCY-SUFIHLRJSA-N 403.479 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)C 1740552840 YGUIIGNASVRNID-CQSZACIVSA-N 407.478 1.967 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1740601500 WJRRYHDXKRAKHW-LBPRGKRZSA-N 413.450 1.315 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCCC2=O)c1 1740612888 LSXIUYUZMVXVMW-UHFFFAOYSA-N 406.490 1.645 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1n[nH]c(C)n1)[C@H]1CCS(=O)(=O)C1 1740627845 STYPMPATKIXUPI-HNNXBMFYSA-N 419.555 1.163 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@]1(O)CCN(C)C1 1740683087 UJMJTXAGWCNHJO-HSZRJFAPSA-N 420.517 1.646 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1740881117 XUXPHLYLXZGEJT-NRFANRHFSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC[C@H]1C 1740956013 FBPLHMSWLYNIRX-JKSUJKDBSA-N 421.509 1.848 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCN(CC)CC2)C1 1740980810 NAFKGRNNEKTRMU-UXHICEINSA-N 418.586 1.591 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1748757974 QMEVHNWEUAKSFU-UHFFFAOYSA-N 420.561 1.877 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccsc1)[C@H]1CCS(=O)(=O)C1 1748817184 GJDUHSCFRAOJPZ-IRXDYDNUSA-N 420.560 1.713 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1748916978 MHIYYHLRUAXKDW-UHFFFAOYSA-N 402.886 1.702 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C[C@@H](C)OC)CC1 1748986685 GUSOCBBAICCNNV-GOSISDBHSA-N 405.506 1.921 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CC(=O)NC(C)C 1749655296 GXYOFKUGKRDFSM-UHFFFAOYSA-N 415.454 1.116 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749677834 LXNNYMXVMGJHOX-FGTMMUONSA-N 413.526 1.303 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C1CC1 1750735470 GXLGDRPZRXYCAN-UHFFFAOYSA-N 409.494 1.538 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1=CCCOC1 1751211859 UPAWMFLGXUIPSM-AWEZNQCLSA-N 408.528 1.365 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC1CC1 1760101973 CXZKYEYWXZTXQE-CQSZACIVSA-N 415.519 1.333 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1760110194 BDDLKABUJZNKRC-CQSZACIVSA-N 402.462 1.432 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1760168160 PZGTULKCZCHOHS-DLBZAZTESA-N 400.479 1.962 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-n2ccnc2C)nc1 1760192396 IKYYEXANSGHBJM-UHFFFAOYSA-N 416.489 1.427 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1760201694 IPMOWXIMZSUABX-CVEARBPZSA-N 414.510 1.605 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)CCC(C)C 1760205652 GYDAEETUVMLSHI-XLIONFOSSA-N 406.552 1.440 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](CCC)OC)CC1 1760257146 PTRFMQFZDGWPEV-UGKGYDQZSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1760258393 VIDJRLWXXURZGE-PMERELPUSA-N 422.558 1.955 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(CC)nn(C)c2CC)CC1 1760263844 RASIHXHPZSPIAZ-HXUWFJFHSA-N 411.554 1.791 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCn1cccn1 1760313994 SFDKWLYZCXFBLB-DLBZAZTESA-N 401.515 1.730 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760438768 NFRBCQBHMANZBK-ROUUACIJSA-N 413.526 1.914 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](N2CCCC2)C1 1760523944 LKTMIBNNFGNVSH-ROUUACIJSA-N 402.543 1.539 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1760559013 HPRXLDFZBKMOJY-OXJNMPFZSA-N 421.567 1.818 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2)N(C)C 1761395415 BCKGPDUNFMYQPS-INIZCTEOSA-N 407.522 1.873 30 10 HDEE CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1767216199 RNFCMDMFJNIERB-UHFFFAOYSA-N 420.477 1.111 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)C(C)C)CC1 1767827404 FJZZZJVMJFMVIQ-OAQYLSRUSA-N 411.510 1.685 30 10 HDEE CO[C@@]1(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1769769184 CBQXIOFWDFKFRG-LAUBAEHRSA-N 410.478 1.543 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC(F)(F)C1 1769844735 CPXJMTHJGPFFOR-CQSZACIVSA-N 417.482 1.592 30 10 HDEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1770469082 GOZQGVXYXFVEKP-BBRMVZONSA-N 413.544 1.908 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)CCO1 1771536517 VXZWUZYXYTUXPI-INIZCTEOSA-N 417.901 1.445 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC[C@@H]2C(=O)NCC#CCN2CCCCC2)c1 1850265037 WCNCMLSEKCJKES-HXUWFJFHSA-N 403.548 1.754 30 10 HDEE CCS(=O)(=O)C1CN(C(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1850749951 UIFZRTBEDQNPMZ-UHFFFAOYSA-N 412.515 1.968 30 10 HDEE N#Cc1cc2c(cc1CC(=O)NCC1CCN(C(=O)c3ccncc3)CC1)OCO2 1852038040 NJKBLFRWZOIDAQ-UHFFFAOYSA-N 406.442 1.893 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3cc4n(n3)CCC[C@@H]4N3CCOCC3)CO2)nc1 1852607584 VBZVEGLAMBQMHU-WMZOPIPTSA-N 424.461 1.294 30 10 HDEE NC(=NOCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccncc1 1853559162 FYCICKAZEXWGRF-UHFFFAOYSA-N 422.411 1.871 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3nnc4n3CCC4)C2)CC1=O 1853856703 VXGAXCSNCRCWDW-DLBZAZTESA-N 400.527 1.072 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1854011679 GQDUHKAGSJBXPP-RTBURBONSA-N 417.531 1.375 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)CCN1CCCC#N 1854253698 YFSAQVBKRKCYEI-HNNXBMFYSA-N 409.483 1.743 30 10 HDEE CCc1cc(CN2CC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)on1 1854439306 KMSDLIRWDJTZIY-LJQANCHMSA-N 407.474 1.668 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4ncccc4n3)C(=O)C2)C1 1854940521 DWNJPFLAPMMINW-DLBZAZTESA-N 406.490 1.681 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C(=O)C12CCCC2 1856216727 NVKNORGWJHUQFP-HNNXBMFYSA-N 402.520 1.443 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@H]3C(F)(F)F)ccc21 1856259503 JFOSAPUGSGMXQX-ZDUSSCGKSA-N 401.366 1.731 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCOC2)C(=O)C12CCCC2 1856283242 YXLCYFBDDKDUDI-INIZCTEOSA-N 417.487 1.267 30 10 HDEE COc1c2ccc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)cc2nn1C 1856549452 YVOASTKZTWZJDJ-YJBOKZPZSA-N 407.474 1.949 30 10 HDEE CCc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857039945 APTPPXUKHZMUSM-SFHVURJKSA-N 403.504 1.803 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)CC1 1857043775 XNJLGZKQDHVKLO-NWDGAFQWSA-N 413.393 1.217 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C(=O)C1(C)C 1857084983 XYYCDPBCLOAWAN-HNNXBMFYSA-N 404.536 1.923 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CCCCO3)C2)CC1 1857384413 LYBOLQORZUPURQ-IEBWSBKVSA-N 411.506 1.410 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@H]1c1cc(OC)c(O)c(OC)c1 1864955531 OWMNJMPDCIISKP-OAHLLOKOSA-N 400.435 1.448 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1C[C@H](C)O 1870671273 XGFLJMFUHBPAMF-KRWDZBQOSA-N 408.495 1.362 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](Oc3cncc(OC)n3)C2)cs1 1889577663 HMHLIDFOUAYSKY-LBPRGKRZSA-N 403.464 1.541 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCc2nnnn2-c2ccc(OCC)cc2)cs1 1891551016 OTWJVYRRSNLEDO-UHFFFAOYSA-N 413.463 1.363 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2c(Br)nnn2C)C1 2020889444 WQZGQAJRFUIPCJ-UHFFFAOYSA-N 400.277 1.807 30 10 HDEE C#CCn1ncc(N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043991556 OVKDUNYTILLAMW-VXGBXAGGSA-N 413.272 1.343 30 10 HDEE C#CCN(C)C1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2071163511 ANFJVKYROVIFGJ-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2118162276 IFJRXNFKNSVLHC-YDBLSZJJSA-N 400.482 1.407 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197740436 RYLTUXLCURBRIY-ZIAGYGMSSA-N 404.529 1.242 30 10 HDEE C[C@H](CN(C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243394829 NMYZYZMUALBZHT-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548798 USJDOEIDTVFFOL-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2247296541 RCMKFQAXNQLECY-UHFFFAOYSA-N 423.294 1.914 30 10 HDEE C[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)OC(C)(C)C 2247838942 POWTUEBUGLQJSN-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE Cn1nc(C(=O)N2CC(C)(NC(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247922488 IIZTVSXUDZZTNF-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(O)CCSC2)OC1(C)C 2267368142 FATGTCMXAVGQOB-HNNXBMFYSA-N 405.372 1.194 30 10 HDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270537338 IXDKDOHFNFJANF-QZTJIDSGSA-N 422.503 1.677 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2277721425 MQMPDWKIRPHLNG-SECBINFHSA-N 423.271 1.734 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCO[C@@H](CCO)C3)c2Cl)OC1(C)C 2281948015 YEUQZFBJHNGEMW-NSHDSACASA-N 401.721 1.924 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)[S@@](C)=O 2282313582 MZXYVVAANWERLM-JPQMIFPKSA-N 405.322 1.170 30 10 HDEE C[C@H]1CNCC[C@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282333734 SAMMPZOWBWJMLX-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CC(C)C[C@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339882 YPFSWNLDZJICLF-ZDUSSCGKSA-N 403.375 1.980 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]23COC[C@H]2C3(F)F)OC1(C)C 2282347316 WKHZENNWAZRTIP-QMTHXVAHSA-N 407.269 1.360 30 10 HDEE CCCN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282415333 GORZTZMYCKTNKN-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC(OC(F)F)C2)OC1(C)C 2282497749 UORBZTWCHPLQET-UHFFFAOYSA-N 409.285 1.801 30 10 HDEE COC[C@@]1(C)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506847 YKZUTROUBVMKDD-MRXNPFEDSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@H]2CCO)OC1(C)C 2282506987 ACOKWUCDJCFWOQ-GFCCVEGCSA-N 402.347 1.119 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](C)[C@@H]1CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282509059 FOYJRXAWKBWSMH-UONOGXRCSA-N 407.363 1.307 30 10 HDEE C[C@H]1CNCCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282834479 VBVHYTOXJQRMRR-NSHDSACASA-N 420.793 1.931 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1N 2282853849 KCZBTWCCYWIMPH-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282864414 FTOUQUAOZWQNDR-RUZDIDTESA-N 403.331 1.419 30 10 HDEE C[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H](F)C(=O)O 2284408678 BAEIKSUHGBMPMH-KOLCDFICSA-N 407.294 1.384 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=Nn1c(SC)nnc(C)c1=O 2321647017 NFKLNNDQONZYOV-UHFFFAOYSA-N 417.447 1.836 30 10 HDEE C#CCN(C[C@@H](NC)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2328459085 HDPFHPCSQOMGTC-GFCCVEGCSA-N 416.320 1.818 30 10 HDEE CCOc1c(C=Nn2c(CNC(C)=O)nnc2SCCCO)cccc1OC 2330784205 QIYIHBDWACYOGP-UHFFFAOYSA-N 407.496 1.678 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCO[C@@H](P(C)(C)=O)C2)OC1(C)C 2362575987 BLGJSGRDBAVHIF-LBPRGKRZSA-N 400.246 1.864 30 10 HDEE CC1(C)OB(c2sncc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c1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1ccc(OCC(N)=O)cc1 46017815 IUPRLZJQOOKMRL-CYBMUJFWSA-N 400.460 1.397 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3ccc(O)cc3O)n2)s1 58994305 RJAGLHKTWJAHNQ-OMCISZLKSA-N 420.480 1.807 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@@H](C#N)[C@@H]3c2ccncc2)C1 256033855 SFHUHBYFXKFXFN-ILXRZTDVSA-N 422.445 1.580 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 409478494 MUXAGHKQXOGKSZ-OOVXXXAESA-N 402.879 1.677 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)CN2CCN(Cc3ccccc3)CC2)n1 426803315 LSNSEMPINFGSBB-UHFFFAOYSA-N 401.474 1.895 30 10 HDEE COc1cc(Br)ccc1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 427089295 NLQRQPOFJVFFTG-UHFFFAOYSA-N 406.240 1.823 30 10 HDEE CSc1nc(O)c(C(=O)NCCN(C)S(=O)(=O)c2cccs2)cc1C#N 435964449 KTSFIQLZFFBYOQ-UHFFFAOYSA-N 412.518 1.493 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)cc1 461622931 GPDFTTGAPRWVEI-UHFFFAOYSA-N 416.459 1.299 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)Cc1nnnn1C 466480420 CJOWNALDHZTVOJ-AWEZNQCLSA-N 412.498 1.012 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)NCC)C2)cc1 473767307 ZJVOMLPEVQTNCG-OAHLLOKOSA-N 409.512 1.418 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 474112404 HYMKMOVJNFMRKH-INIZCTEOSA-N 424.423 1.937 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ncon4)cc3)CC2)cc1 499762486 NMNNZUYMBRXLKU-UHFFFAOYSA-N 423.454 1.755 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-c3nnc(N(C)C)o3)cc2)CC1 502640686 FSPGZYNCVXDLKU-UHFFFAOYSA-N 413.482 1.254 30 10 HDEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C(=O)CC#N)CC1 503647115 ZNIFRAVJLXSTAO-JTQLQIEISA-N 413.297 1.213 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(C)n(CCC#N)n1 504130473 FLPISVZKUQHKLC-UHFFFAOYSA-N 417.491 1.687 30 10 HDEE Cc1cccc(NC(=O)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)c1C#N 504706455 GBUHZJYMETYBEG-UHFFFAOYSA-N 424.482 1.409 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508904785 VZJJDTCZEXYRBL-YJBOKZPZSA-N 417.535 1.906 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3cnccc3C#N)CC2)CC1 516615447 FAMUPIAGIPFVGC-FQEVSTJZSA-N 418.545 1.981 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 521111375 GXXUBODDJAQULJ-DOTOQJQBSA-N 421.475 1.145 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)Sc1nnc(C)n1CC(N)=O 524524967 ADBWHHKOTMMJLX-LBPRGKRZSA-N 402.480 1.508 30 10 HDEE Cc1nnc(NC(=O)C[S@@](=O)CC(=O)Nc2sc3c(c2C#N)CCCC3)s1 526887424 VMKVBLFUJCEXJP-MHZLTWQESA-N 423.545 1.984 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H](NC(N)=O)C2)n(Cc2ccc(F)cc2)c1C 536484916 JRDBDLYZWGUKJO-KRWDZBQOSA-N 412.469 1.845 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC2CCCC2)n(C)c1=O 543655991 HLIVKLNXNHSGTH-UHFFFAOYSA-N 412.471 1.225 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N(CCC(N)=O)c3ccc(F)cc3)CC2)n1 545502538 KDYZWKCFADVRHJ-UHFFFAOYSA-N 410.453 1.123 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 549250120 SHQGRDYWMSPOHP-QGZVFWFLSA-N 406.508 1.982 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CCC(C)C)n2C[C@H]2CCCCO2)CC1 555502125 NVUPTXDDOSLOIA-LJQANCHMSA-N 418.586 1.860 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)c2ccc(C#N)s2)CC3)CC1 555513762 FVVAJQKSPHIWCY-AWEZNQCLSA-N 412.519 1.196 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(C(=O)OC)cc2)c1=O 604523599 VTFRBUBHUIAYJC-UHFFFAOYSA-N 408.479 1.755 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)cc1 619674651 FVTSWMFICCGYTO-FCJNSDPXSA-N 421.519 1.265 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c(O)n1 619878613 DXYIUUAJUSGXHB-UHFFFAOYSA-N 424.461 1.106 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nc(O)c3ccc(C(F)(F)F)cc3n2)CC1 684609738 WZMTURAOUVRFRX-UHFFFAOYSA-N 409.412 1.774 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cc(F)cc(Br)c1 732451089 UEHNEEJOIMLGQP-CCEZHUSRSA-N 411.231 1.914 30 10 HDEE C[C@H]1CN(c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C[C@@H](C)O1 732707346 YFKIZWUSSFMDCN-JZXOWHBKSA-N 411.506 1.437 30 10 HDEE N#C[C@H](C(=O)COc1ccc(Cl)c(Cl)c1)C(=O)N1CCS(=O)(=O)CC1 732909909 IYUWUOBAFPOCCJ-LLVKDONJSA-N 405.259 1.338 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2cc(N3CCNC3=O)ccc2F)cc1 739139264 MMKLRTQZOLHFQJ-UHFFFAOYSA-N 402.407 1.487 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)c(F)c2)c(=O)n1CCN1CCOCC1 742531004 NSRRWWRXXKVECQ-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 743493471 UZSONNLIADMJLV-OAHLLOKOSA-N 422.507 1.643 30 10 HDEE Cc1cccc(S(=O)(=O)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 744007121 BOSTXHUMWJHNAQ-ZDUSSCGKSA-N 421.500 1.317 30 10 HDEE N#Cc1cccc(OCCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c1 746741513 HPPDMLFCBRGPEI-OAQYLSRUSA-N 419.437 1.956 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)CCN1C1CC1 748982191 UHSDATJHOBXFPM-INIZCTEOSA-N 413.869 1.117 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCO3)c1=O 758071909 QMCGBCJLXKVWEO-UHFFFAOYSA-N 406.463 1.186 30 10 HDEE N#Cc1ccc(O)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 759717357 HONOVZNLOCEKJP-SOUVJXGZSA-N 405.476 1.312 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 765960271 ZYYYBORDOTZUPL-KURKYZTESA-N 410.478 1.813 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(Cc2nnnn2CC2CC2)C1=O 769742912 QMDWQPDWUNFASR-CQSZACIVSA-N 417.470 1.490 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1)c1cc[nH]n1 772232717 ZAKKLSFUFPIQTL-KGLIPLIRSA-N 410.496 1.207 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCOC2(CCSCC2)C1)c1cc[nH]n1 772439792 XHVJEORVXGPWGJ-ZDUSSCGKSA-N 410.496 1.255 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1)[C@H]1CCCO1 773556296 IQDCGCWPCGLUBR-RBUKOAKNSA-N 405.520 1.592 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(C)[C@H]1c1cccs1)[C@H]1CCS(=O)(=O)C1 774231230 UNCHYXQZQHCRHB-XYJFISCASA-N 409.577 1.963 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OC[C@H]3CN(c4ncccn4)CCO3)cc2C1=O 774611023 QEOIHXOZDXNCDM-OAHLLOKOSA-N 408.414 1.321 30 10 HDEE CCOC(=O)C1=C(C(=O)CC)[C@H](c2c(Br)cnn2C)NC(=S)N1 783807922 UHPUAUNRALMOBH-SNVBAGLBSA-N 401.286 1.498 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)COc2ccc3c(C)cc(=O)oc3c2)n1 788819361 ZIEYCPMQEOAOOG-UHFFFAOYSA-N 409.442 1.985 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(S(=O)(=O)CC2(C#N)CCCC2)C1 790629164 KAHMHCFAUGDXKQ-QGZVFWFLSA-N 401.485 1.454 30 10 HDEE CN(c1nc(COC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cs1)C1CC1 795328762 YKMUDUDOKFWSPC-UHFFFAOYSA-N 406.489 1.635 30 10 HDEE CNC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1OC 795829038 ISUOOXCSJHYBNB-CYBMUJFWSA-N 412.899 1.069 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 800779242 UEUCWKSTPYVLLT-QGZVFWFLSA-N 410.478 1.702 30 10 HDEE CSc1nc(O)c(C(=O)NC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 801467588 HFDCLTKNHFKXFA-WCQYABFASA-N 408.480 1.338 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN(c2ccnc(C#N)c2)CC1 804357620 FZMFPXIXMFHTAM-UHFFFAOYSA-N 420.516 1.176 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 804707654 CSYWWBPCEFVTQZ-IKGGRYGDSA-N 409.527 1.847 30 10 HDEE C[C@@H](Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)C(=O)NC1CC1 1084008876 MDBACHIAIWPFCT-MRVPVSSYSA-N 420.411 1.826 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1=O 1124723123 HKBYWKTXCPOSCA-CYBMUJFWSA-N 410.434 1.118 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)N(CCC#N)CCN2CCOCC2)C1 1136457950 LIYPLRSRZMHWKT-SJORKVTESA-N 412.506 1.656 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](CS(C)(=O)=O)c1ccccc1 1137537013 FLLUXIUDVLFPKG-NVXWUHKLSA-N 413.503 1.214 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1138108221 KOAZQDPOPOYNKS-ZBFHGGJFSA-N 403.483 1.803 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C 1142078031 OOCQYKPIZKPWHT-HUUCEWRRSA-N 404.529 1.925 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(CC(=O)OCC)CC2)c1 1149034015 PSLJXSDLDBZIAE-UHFFFAOYSA-N 406.504 1.195 30 10 HDEE C=CCC[C@H](CO)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1157761141 RDNAFRFKOAZYLY-LVQVYYBASA-N 416.540 1.100 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(=O)(=O)NCC)c1 1161254364 KQXHQNMRTKYRRF-KRWDZBQOSA-N 423.535 1.908 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1171219951 SYLAMUNTZYKOLX-IIBYNOLFSA-N 423.498 1.704 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-n3cnnc3)c2)s1 1177900654 TWUJZWSJCMTJGY-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)Cc2cccc(Br)c2)C1 1179982361 KLOOREAECKARHW-AWEZNQCLSA-N 414.321 1.249 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@]3(CCOC3)C2)ccc1Br 1188688164 DURWZYSUYTZENX-SWLSCSKDSA-N 401.282 1.937 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(CCNC(C)=O)s1)C(=O)OCC 1193573869 OQOCDTJECFEZET-ZDUSSCGKSA-N 408.929 1.779 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)n1 1251515380 RRAXOUQTDIZRIO-PIIMJCKOSA-N 417.510 1.540 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC(C)(C)[C@@H]1COCC12OCCO2 1251792252 NBXBQOYZXMWKSD-ROUUACIJSA-N 403.479 1.649 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21)c1ccc(Br)cc1 1252457800 FOVONSICRMBRLL-YQVWRLOYSA-N 422.323 1.648 30 10 HDEE C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccnn1C 1254451054 GWZQOUMMEZZBLF-CQSZACIVSA-N 402.480 1.069 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1255003583 YMONCOVYFXFDPI-GOOCMWNKSA-N 408.549 1.807 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCc1nc(C)no1 1282731210 UJUQMLBNFSLNPH-SUFIHLRJSA-N 402.495 1.930 30 10 HDEE C=C1CCC(C(=O)N(C)CCN2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1284820884 DPCAUONOJCMDMH-TXVWBRJLSA-N 401.551 1.759 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)COC2)[C@H]1CCS(=O)(=O)C1 1286391768 DPPZDJRWRDREDJ-SFHVURJKSA-N 400.504 1.546 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1cn[nH]c1 1286424837 NABCCIABKZMWQF-UHFFFAOYSA-N 412.461 1.350 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)cc1OC 1286432394 IBBZYIICKUHBFP-UHFFFAOYSA-N 421.501 1.929 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1286450207 OGUBLOVQNIAYJE-UHFFFAOYSA-N 404.478 1.489 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(SC)CCOCC2)n1 1286469983 NYWBFASGHWYZMW-UHFFFAOYSA-N 418.567 1.981 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1286526355 RLBKIDZFAZDOBL-KFKAGJAMSA-N 408.524 1.061 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@@]1(OCC)CCOC1 1286565308 JFAJLFZRKBOEPH-ONFYXGJMSA-N 421.542 1.612 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC(C)C)C1 1286787997 OCQCNVRAXHPIOH-HOTGVXAUSA-N 409.556 1.355 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2noc(CC)n2)C1 1286807922 HOKFTZWJXCFHRT-KBPBESRZSA-N 401.471 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OC)C1 1286817393 SABYBGJFGGYAMP-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1290256670 LWLAHYOGZZCPHL-HXUWFJFHSA-N 413.503 1.523 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2ccc(C#N)cc2)C1 1293784389 VRVFZWNQYIFMQC-MRXNPFEDSA-N 407.492 1.599 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](CN4CCOCC4)C3)CC2=O)cc1Cl 1294090419 DUGFQUBDQYGGGO-WBVHZDCISA-N 416.909 1.745 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCC(F)(F)F)C[C@H](O)CO)c1 1295196146 STCUYYSKYLCWIW-AWEZNQCLSA-N 407.410 1.231 30 10 HDEE CCN1CCCC[C@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1296079404 FWWLPOOIPLKKSI-WMZOPIPTSA-N 409.542 1.838 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CCC3)[C@H](F)C2)s1 1297359492 OMHPAYFKRRXRDK-CABCVRRESA-N 401.529 1.400 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(O)c1Br)c1cc[nH]n1 1298220387 XWAMCCBETWFVRK-UHFFFAOYSA-N 411.212 1.800 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H](C(=O)Nc3cn[nH]c3)C2)CC1 1298229240 AUDUDXRDALPSEU-MRXNPFEDSA-N 415.494 1.847 30 10 HDEE CO[C@]1(Cn2c(C)nnc2N2CCN(c3cccc(F)c3C#N)CC2)CCOC1 1299796965 CBQGCAVIEQDJBI-FQEVSTJZSA-N 400.458 1.729 30 10 HDEE CO[C@@]1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1299816899 FTFYCSXTUGTMMM-RTBURBONSA-N 403.462 1.387 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300428521 GZEGACSMDARXEC-OEMYIYORSA-N 404.511 1.800 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(c2cccc(OC)c2)CC1 1300457922 CHGHRADQNWYZJJ-MRXNPFEDSA-N 414.531 1.990 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300625348 FLMBQHORGHFTQM-JKSUJKDBSA-N 415.460 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2cccc(C(=O)NC)c2)CC1 1300716834 SGOZRLZEWLYFKK-UHFFFAOYSA-N 408.506 1.155 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(O)cc2)CC1 1300727289 VTWBHIIATIGIHB-LJQANCHMSA-N 423.517 1.696 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1301216628 NYBPRRWVKMHYET-INIZCTEOSA-N 424.571 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCc2ccc(O)cc2C1 1301481760 PCSWVLPTRNRHAE-OAHLLOKOSA-N 415.494 1.573 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1303047703 XWQMUTVPZGIAFK-OAHLLOKOSA-N 422.551 1.682 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1OC 1303899262 NAHBHQMHXVUIFJ-QGZVFWFLSA-N 423.473 1.803 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1304105391 BGIRYYQLBOOFOX-NRFANRHFSA-N 418.494 1.696 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCCC23OCCO3)nn(-c2ccccc2)c1N 1313190717 GNCVNQKXJRAOKW-SFHVURJKSA-N 410.478 1.854 30 10 HDEE CCC[C@@H]1C[C@H]1n1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1313538643 DPZIFEDGGKVTDN-ZJIFWQFVSA-N 410.544 1.710 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1-c1cnn(C)c1 1314403360 GTKOTIQSBQYDNU-SFHVURJKSA-N 407.478 1.992 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1315057129 YVTWORRSMXGCDW-INIZCTEOSA-N 401.446 1.263 30 10 HDEE COCCCN(c1nnc(C(C)C)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1316036037 SJHCKSGZDXRRGU-HNNXBMFYSA-N 421.523 1.944 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1350875199 ISOBRAOFZDLNAK-INIZCTEOSA-N 415.462 1.269 30 10 HDEE C#CCCCn1c(N2CCC[C@H](C(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1358936290 JUXJTVFWWKINSS-HTAPYJJXSA-N 415.538 1.839 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN1CCCO 1359005535 MCAVSWWBCDJUMW-SFHVURJKSA-N 411.506 1.980 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(OC)cc1 1359009965 CLVWXQMNAJWYRQ-QGZVFWFLSA-N 402.520 1.891 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359054728 FEKCLFKWZTVIQJ-IRXDYDNUSA-N 400.508 1.486 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCN1c1cnn(C)c1 1359063198 KCEIDPDIGYMELG-VGOFRKELSA-N 424.553 1.811 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1359177996 GRRDIFQTQHJUOD-QGZVFWFLSA-N 401.515 1.749 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cnn(CC)c1 1359291663 ZPBQCJQZAJYTHQ-UHFFFAOYSA-N 423.481 1.080 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](COC)C1 1359294125 LCJGHLKTXKQGFI-QGZVFWFLSA-N 401.467 1.108 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccnc(C)n2)CC1 1359295199 TYXMEWGTHWTNEX-UHFFFAOYSA-N 422.493 1.574 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359297280 LGZQWZHEFDKEBJ-GOSISDBHSA-N 405.506 1.732 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1359299546 HUAOXZNDZLOHJX-QZTJIDSGSA-N 403.527 1.870 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1359342329 VELJNABQHJKECS-HNNXBMFYSA-N 416.555 1.997 30 10 HDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1359459736 UJRXTCXTNPCOPG-UHFFFAOYSA-N 424.553 1.986 30 10 HDEE NC(=O)[C@@H](C1CC1)N(CC1CC1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1454919190 GMNDZZAJLUGFHY-GOSISDBHSA-N 418.519 1.008 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H](n3cncn3)C(F)(F)F)ccc2c1=O 1457970402 PWHMKSVLKAJYRT-CYBMUJFWSA-N 424.408 1.996 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCNS(=O)(=O)Cc1ccon1 1458420420 DGKUOVVAGPZEOP-UHFFFAOYSA-N 413.253 1.158 30 10 HDEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@H]2c2cccc(Br)c2)CCOCC1 1459777847 WXTIVWLWGHPRNI-IAGOWNOFSA-N 422.323 1.993 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCCN(C=O)CC1)CCCC2 1460175378 ZZVSNOIEQDINIK-QGZVFWFLSA-N 413.522 1.520 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CCOC1 1460458913 CYYHXCFPEYCJPA-XMSQKQJNSA-N 414.506 1.271 30 10 HDEE Cn1nc(C(F)(F)F)cc1S(=O)(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1462729366 GRJZYYBXBVYNFC-UHFFFAOYSA-N 413.425 1.817 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCCN3C(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1462991109 VBFAGMYIBUIUFI-IYOUNJFTSA-N 407.517 1.140 30 10 HDEE COC(=O)CC[C@@H](NS(=O)(=O)c1sc2ccc(C#N)cc2c1C)C(=O)OC 1463647318 HHUVBFLUGOZZRN-CYBMUJFWSA-N 410.473 1.855 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)nn1 1469216301 RSLBPWJOBQMXNX-FMKGYKFTSA-N 411.384 1.066 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2C[C@@H]2CCOC2)C1 1469727888 CQCGSPFFXLHXEW-MWDXBVQZSA-N 408.499 1.582 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1 1469917074 KXHPFROLBOOVGQ-UONOGXRCSA-N 411.553 1.169 30 10 HDEE C[C@H](CC(=O)Nc1ccnn1[C@@H]1CCCOC1)/N=C1/NS(=O)(=O)c2ccccc21 1472262255 UYZMXKFIPHAFRP-ZIAGYGMSSA-N 417.491 1.690 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1477814269 PBNNFXUEMMHHQX-BZSNNMDCSA-N 416.526 1.172 30 10 HDEE Cc1nnc(N(C)CCOc2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1492787407 DBZFRDUSIMYKAK-VHEBQXMUSA-N 414.441 1.767 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC(=O)N2CCOCC2)C[C@@H](C)O1 1494236733 SPSDVVGRLHGLLS-IAGOWNOFSA-N 424.505 1.679 30 10 HDEE COCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1504796619 GRDSJIOVAZRYPL-MRXNPFEDSA-N 419.507 1.504 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCOC1CCOCC1 1507516234 AYLJTCZFEHDAOG-DYESRHJHSA-N 406.527 1.974 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1nnc(CC)s1)[C@H]1CCS(=O)(=O)C1 1507621435 AIXPZGJQCIUSFR-ZDUSSCGKSA-N 422.580 1.665 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccsc1)N(C)C 1507639216 WNGNLKFAQHHLFS-GOSISDBHSA-N 410.547 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1 1507668021 VSBRCOBTFZIITJ-IBGZPJMESA-N 419.533 1.982 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@]1(OC)CCOC1 1507705673 GAPLWOIUCIIRIM-OAQYLSRUSA-N 400.479 1.845 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)CCOC)CC1 1507728373 RVTVBGCETOLDDR-FQEVSTJZSA-N 418.567 1.177 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2c(C)noc2C)CC1 1507737531 BANNDEPQUXERIO-UHFFFAOYSA-N 420.477 1.354 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCOCC1 1507762000 SSHABZPFTUTWPE-IFMALSPDSA-N 418.538 1.852 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(OC)cc2)n1CCS(C)(=O)=O 1507773008 WYOJFISGXUXKHB-HXUWFJFHSA-N 418.519 1.902 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)OC)C1 1507790952 GBWOJUKVJKXEFF-OAGGEKHMSA-N 405.499 1.397 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(CC(=O)NC)CC1 1507959432 BVCQCENJHUJTFV-UHFFFAOYSA-N 401.515 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C1CC1 1508135852 NFAUTLYFJFKJOV-UHFFFAOYSA-N 404.492 1.916 30 10 HDEE CCc1nc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cs1 1513754681 JPSMVESTLKRDMD-AWEZNQCLSA-N 401.496 1.196 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1515096478 NISUZYIEARGFSY-GOSISDBHSA-N 419.493 1.776 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1517237203 XRAIUMKRBNXCLO-VUAZUDAXSA-N 402.499 1.575 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCN(C)C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1530108373 UXRKAIGZFUABDX-XNTOXWQXSA-N 401.551 1.782 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1537808226 AQFLXXQGLNZJEC-UHFFFAOYSA-N 414.506 1.886 30 10 HDEE CO[C@]1(CNC(=O)CCC(=O)N(CCC#N)c2ccccc2)CCS(=O)(=O)C1 1538275208 ZOJNSPWCKDLGKH-IBGZPJMESA-N 407.492 1.033 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1ccco1 1538977270 VFWFQAKCOBGJHP-FOIQADDNSA-N 401.467 1.411 30 10 HDEE COC(=O)CC[C@@H]1CC[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)O1 1540591140 OBICNYPJDRGKJY-GOEBONIOSA-N 402.451 1.573 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cc[nH]n2)C1 1540893627 HJDVRMHBQGLDBW-QGZVFWFLSA-N 422.493 1.198 30 10 HDEE C#CCN(C(=O)c1oc(CNC(=O)OC(C)(C)C)cc1C)[C@H]1CCS(=O)(=O)C1 1543462524 NRLWLFCIWAHAGU-AWEZNQCLSA-N 410.492 1.875 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C)c1 1544670980 QBJPQWVARRCWBF-GOSISDBHSA-N 416.522 1.910 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@H](COC)C3)n2Cc2ccc(C#N)o2)CCOC1 1547891770 DMLHYGBTORSNCP-MGPUTAFESA-N 401.467 1.916 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cccc(C#N)c1 1552393008 HTVLKOXSUOOHMO-UHFFFAOYSA-N 413.507 1.721 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1556797241 RYWSZLWDUUPLQZ-IBGZPJMESA-N 420.531 1.972 30 10 HDEE C#CCN(C)CCCNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 1556828539 VHIMFZVNNYKMSI-UGKGYDQZSA-N 401.507 1.874 30 10 HDEE C=CC[C@]1(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1557162679 YQQXYYDMWFJNCO-HRAATJIYSA-N 408.543 1.911 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)Nc3oc(C)c(C)c3C#N)CC2)CCOC1 1560012731 XCMCNSRDOFCPPD-VBKZILBWSA-N 404.467 1.045 30 10 HDEE Cn1ncc(I)c1CNS(=O)(=O)CC1(C#N)CCCC1 1561860432 CDPQWDKBNGHCMF-UHFFFAOYSA-N 408.265 1.528 30 10 HDEE Cn1ccnc1[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1565013826 LRJCCIVGHSARJJ-ZWOKBUDYSA-N 413.503 1.284 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(O)(CN3CCOCC3)CC2)c1Br 1566770172 ZDMAYHZKBMTMKA-UHFFFAOYSA-N 408.296 1.620 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CC2(C)COC2)c1 1587683474 KESFQKKTIYYWKP-UHFFFAOYSA-N 424.505 1.509 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2o1 1587909711 RGQYJLBWOXARRY-CQSZACIVSA-N 401.492 1.947 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1588046069 WSEZBUGDRMLFKP-MRXNPFEDSA-N 417.535 1.782 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2nccn2c1 1588157473 AFXMRMDEBOXWFS-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(OC)OC)c1 1588159030 OMXDDVGTMDKBMZ-UHFFFAOYSA-N 421.501 1.813 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1588385237 GQKPBLSCXRKUMS-INIZCTEOSA-N 423.564 1.375 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCN2CCC)CC1 1588848654 JWVXGPRVZFFJBV-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@H]1CC 1589109585 GQSFVXCRFXTCHT-GOSISDBHSA-N 424.530 1.810 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC=C 1589234495 UAWQYGPOJWKVEA-HXUWFJFHSA-N 416.551 1.733 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N(C)C[C@H](C)C(=O)NC 1589427316 HURUXNZEDNNANW-LBPRGKRZSA-N 407.316 1.991 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1594775507 UTLJICHQXPEWEB-LAUBAEHRSA-N 418.542 1.841 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(OCCOC)CCOCC1 1594830149 UFMXVXVVYUOIQO-UHFFFAOYSA-N 407.515 1.349 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2oncc2C1 1595777140 JHNFERNDDVQFIB-UHFFFAOYSA-N 424.486 1.968 30 10 HDEE CS(=O)(=O)c1nc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c2ccccn12 1596978473 OPWIMHVCFMVQER-OAHLLOKOSA-N 424.486 1.721 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1)C(C)C 1611026862 XBKSQIFCMUSWTL-QGZVFWFLSA-N 419.547 1.940 30 10 HDEE CCn1cnnc1Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@](C)(C#N)C1 1615743520 ZWJXLVLLTDHTHR-DNVCBOLYSA-N 402.503 1.792 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)CCC(C)C)CCOC1 1616260996 GGYIKRORQMXMCW-IOMROCGXSA-N 421.542 1.846 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1617386754 APWWLPGHPIXIFM-NSHDSACASA-N 409.414 1.426 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CC2CC2)n1CCCNS(C)(=O)=O 1617909048 YPWYROCEYBNJSD-UHFFFAOYSA-N 402.524 1.678 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@H]1C 1620111242 OBNPLHVICLKSKA-OWSLCNJRSA-N 404.515 1.215 30 10 HDEE N#CCc1cccc2c1CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C2 1620470325 ZGPZDRXBBBHGMP-UHFFFAOYSA-N 412.515 1.117 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1620643300 CHBCRXOANWKEII-HIFRSBDPSA-N 404.492 1.192 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1622450548 UFPHFNPVZAWYJL-CQSZACIVSA-N 424.947 1.949 30 10 HDEE C#CCN(CC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1O)C(=O)OC(C)(C)C 1623644299 NQOSGTDSPUEPNN-UONOGXRCSA-N 404.467 1.737 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1623969835 UTNVHYFPQCJKAX-GOSISDBHSA-N 408.520 1.733 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(-n4cccc4)c3)CC2)cc1 1625121331 OWNKEKSQPMTQGK-UHFFFAOYSA-N 421.482 1.891 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C#N)c1ccc(Br)cc1 1625197074 LSZLJFOKZVRAFF-KBPBESRZSA-N 409.284 1.536 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1627791193 YZRUPXVRCQWCDM-OAHLLOKOSA-N 404.517 1.927 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)F 1628177858 DDSXRHFRPBPFGQ-CQSZACIVSA-N 410.421 1.953 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(=O)n3ccccc3n2)c1 1628283006 LMGPEZOLJIZOCS-UHFFFAOYSA-N 400.391 1.061 30 10 HDEE N#CC1(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCOCC1 1629337330 SGNIKAJZSJZTCW-UHFFFAOYSA-N 407.370 1.052 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)Nc3n[nH]cc3I)cc2)c1N 1629944412 CQZYTYUZVPICBW-UHFFFAOYSA-N 419.186 1.906 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3CN([C@H]4CCOC4)C3)c(C#N)c2N)cc1 1630467591 SAEUCEMWWACUOM-SFHVURJKSA-N 408.506 1.404 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@H](Cc3ccccc3)C2)ccc1F 1631637912 ISKVYRRLBHKPGX-GOSISDBHSA-N 417.506 1.947 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)CC1 1632624113 OEDSAAVQDCAMEZ-HKUYNNGSSA-N 422.570 1.456 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)c1 1633170919 DBUYDXMZVFCTQO-UHFFFAOYSA-N 402.476 1.572 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1 1633213569 WTNPCCLZGLBICX-NRFANRHFSA-N 411.483 1.735 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)NCC3(C#N)CC3)CC2)CC1 1634805999 PJHPNHGOXJJXRP-UHFFFAOYSA-N 420.514 1.290 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Cc2csc(CNC(=O)OC(C)(C)C)n2)CC1 1634998732 MLWUVSKIYMPPAA-UHFFFAOYSA-N 420.535 1.698 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1635063483 VALIKODUWJRDCE-ZFWWWQNUSA-N 401.916 1.817 30 10 HDEE C=C(CO)C(=O)NC[C@@H]1CCCN1Cc1ccc(I)cc1 1635114148 MWRNZXCCLRJHMK-HNNXBMFYSA-N 400.260 1.920 30 10 HDEE CC(C)CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635421325 LZNRJMFXIAXFFQ-MJGOQNOKSA-N 423.521 1.853 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cnc3c(c2)NC(=O)CN3C)C1=O 1635568418 QSXLZWPJOYRNOY-FQEVSTJZSA-N 416.482 1.786 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)C(=O)OC 1637693995 QHFSZKITKIOQAZ-LJQANCHMSA-N 404.422 1.820 30 10 HDEE C=CCSCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1638410943 HDRAYTSMMSWAGI-QLFBSQMISA-N 418.581 1.692 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1638655741 AXSKBKSVJQDWAV-OAHLLOKOSA-N 418.490 1.995 30 10 HDEE Cn1c(Sc2ncc(C#N)cc2Br)nnc1[C@@H]1CCS(=O)(=O)C1 1639213353 HLIUWTXDORHHJO-SECBINFHSA-N 414.310 1.898 30 10 HDEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1639962054 KTWXACGEPWEZSG-UXHICEINSA-N 408.437 1.968 30 10 HDEE Cn1ncc([N+](=O)[O-])c1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1640947606 OSHMGTJDNXCWKR-UHFFFAOYSA-N 406.406 1.552 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)cc1 1641306845 VIGCRYQLODOMIS-HNNXBMFYSA-N 420.512 1.452 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)CCCc2ccccc2)c1=O 1641325709 NRYOGBLXRDUMCU-UHFFFAOYSA-N 411.458 1.815 30 10 HDEE Cc1cc(C(=O)N2CCN(CCc3cnccn3)CC2)nn1-c1cccc(C#N)c1 1643280401 HPVVOPBOKZHPBM-UHFFFAOYSA-N 401.474 1.843 30 10 HDEE CCN(CC(=O)N1CCN([C@H](C#N)C(C)C)CC1)[C@H]1CCN(CC(F)(F)F)C1 1643996351 VMMVLZZRINKTQZ-DLBZAZTESA-N 403.493 1.637 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)cn2C(C)C)CC1 1644282212 YFPWFPSKAIUXGJ-UHFFFAOYSA-N 417.329 1.057 30 10 HDEE N#Cc1ccnc(C(=O)N2CCC[C@H](n3nncc3I)C2)c1 1644374229 HOIVXFVEDMAURQ-NSHDSACASA-N 408.203 1.627 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2n[nH]c(C)c2C#N)cc1 1645595730 HYUFUVFTVGEQAN-QGZVFWFLSA-N 415.475 1.974 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC(C)(N2CCC2)CC1 1648246071 QJXAKZGVMYJRIQ-FVWXCPNNSA-N 404.536 1.748 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1648719367 LRXAWRXCFIBSHB-IIBYNOLFSA-N 416.478 1.922 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c1 1648915761 MOBBGYMQDCUESM-LBPRGKRZSA-N 402.403 1.887 30 10 HDEE Cn1c(N[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)c(C#N)c(=O)n(C)c1=O 1652097921 CYFOKODARDAPNJ-YUELXQCFSA-N 417.510 1.792 30 10 HDEE CNC(=O)c1cccc(N(C)C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1652244660 PZXGNXLETCQHQB-ZDUSSCGKSA-N 400.460 1.248 30 10 HDEE N#CCCn1cc(C(=O)N2CC(N3CCCC3=O)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1652695024 RIHVWBHUPGUMCG-UHFFFAOYSA-N 408.418 1.819 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1664908773 IUCZDPRYFGMMJW-UHFFFAOYSA-N 400.522 1.132 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC)C(C)C 1666519407 CYUNEJAJHVRZBV-INIZCTEOSA-N 409.508 1.886 30 10 HDEE C#CCCS(=O)(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1672234187 MASUROIWJXKCOJ-UHFFFAOYSA-N 402.266 1.783 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1cccc(OCCN(C)C2CCOCC2)c1 1678453149 GMFVXJRFYBFQNK-IBGZPJMESA-N 401.507 1.720 30 10 HDEE C=CCOCC(=O)NC[C@H]1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CO1 1679018451 GTGPCBDTKAGEBA-SGTQZHETSA-N 404.507 1.126 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1682155911 DOIXCFAHSFKQGP-ZACQAIPSSA-N 402.561 1.222 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 1684035671 KZWBYXXFGLCYES-RLLQIKCJSA-N 404.555 1.437 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)N[C@H]1CCO[C@@]3(CCS(=O)(=O)C3)C1)C2 1685883361 KOLRQYHQQMFXAV-PXNSSMCTSA-N 403.504 1.557 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCOCC1 1689824635 UPYVYWOMXDCKSW-IAGOWNOFSA-N 411.510 1.352 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1689847426 ZKPYEAWOJZMCAU-GDBMZVCRSA-N 407.469 1.493 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1689978431 VOJKXARCWLYTPY-OKILXGFUSA-N 400.487 1.295 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccsc1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689992645 NOYVVDAPIXSWRV-SJORKVTESA-N 421.592 1.832 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCc1ccc(OC)c(F)c1 1690025076 DCTHWBJOEQJECH-UHFFFAOYSA-N 409.465 1.864 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1CCN(CCC)CC1 1690053058 WQGHPUJJTTZJSN-UHFFFAOYSA-N 410.566 1.985 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)Oc2ccccc2C)CC1 1690109404 QCKIPBXDAHXZDV-LJQANCHMSA-N 424.549 1.947 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690309647 GHYZMEJMLCBBDL-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1690472372 MGTXWEIFABLJAT-HRCADAONSA-N 413.544 1.239 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690511347 YAJCNIOGLUOYIP-GOSISDBHSA-N 413.526 1.170 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1690514175 WMJNTHPCAUKMBA-KRWDZBQOSA-N 413.526 1.904 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1690516230 BXBPAAQIBBVGOV-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1C 1690622601 SYFAQXPYAKZMRP-KRWDZBQOSA-N 411.466 1.606 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](CCOC)C1 1690659085 JKIWQPVRKHALOV-OAHLLOKOSA-N 413.482 1.090 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1CCOC1 1692787347 YIBJIISUXXZPHK-DAYGRLMNSA-N 410.544 1.445 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1696021656 CHCXKGHGRXFHTG-BEFAXECRSA-N 406.487 1.368 30 10 HDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1697145753 FVSTZDSIQOMIEB-WOSRLPQWSA-N 402.496 1.001 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@@H](C)CC 1705485487 KDEKNBIYIBPNKX-JKSUJKDBSA-N 421.509 1.684 30 10 HDEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705512835 QRFAAMLVEFWDSQ-UHFFFAOYSA-N 420.517 1.676 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1705578788 GGJMJMAZQHTKPG-GOSISDBHSA-N 416.460 1.896 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@]2(C)CCCO2)CC1 1705648607 ZMHHQNQUOLRIEK-NRFANRHFSA-N 409.494 1.270 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@@H]1OC 1705667237 KUJDHEDJGPOJLB-LLGFUMIMSA-N 401.511 1.558 30 10 HDEE C=C(C)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1705729806 YYILEZRXNDUPGH-YJBOKZPZSA-N 400.545 1.764 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@@H]2CO)CC1 1705771288 NRNQKIUCKQMDIQ-LJQANCHMSA-N 416.570 1.794 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705810964 MVOZYUDZRBJGLV-KRWDZBQOSA-N 401.515 1.793 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccsc1 1705894550 CIBWEHXKIQFMFC-UHFFFAOYSA-N 411.491 1.926 30 10 HDEE C=CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1705949574 CIWKYGAUBVFKDH-UXHICEINSA-N 424.567 1.845 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1706116161 RSOPIRLRXPPJCG-UHFFFAOYSA-N 413.526 1.568 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1722337156 WWBAETSXPJUSHO-UHFFFAOYSA-N 400.527 1.194 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1722349767 ZWSXMVXRAPOKKY-HXUWFJFHSA-N 411.487 1.112 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722362277 SIRMSIFCYDZWGI-DLBZAZTESA-N 417.535 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722381395 PUMDYHWXVLJNIN-OALUTQOASA-N 415.563 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(N)=O)c1 1722386891 ABSZDDHSBDCJGV-UHFFFAOYSA-N 404.474 1.124 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC[C@@H]2CCCO2)CC1 1722437863 KQHIYJGQRCRWGY-FQEVSTJZSA-N 424.549 1.989 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1722447656 LDLVYKGKICMALU-KRWDZBQOSA-N 412.538 1.380 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722454751 HQAJLZBNXUWJDE-QGZVFWFLSA-N 411.535 1.747 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1722543257 NMWFSMIHGXFUET-IRXDYDNUSA-N 413.950 1.913 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N(C)[C@H](C)CC#N)n1CCNS(C)(=O)=O 1723976664 CZYQWLAQPSTRJJ-ZIAGYGMSSA-N 424.502 1.845 30 10 HDEE CCCOCc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1728240658 SUMHNCCIXPXVNL-OALUTQOASA-N 424.505 1.933 30 10 HDEE CCn1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CC2CC2)c1=O 1728540357 FNTKAKNTLLYIJD-KRWDZBQOSA-N 409.494 1.589 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1Cc1ccc2c(c1)OCCO2 1730762592 HJLKZMPSDKLTKX-QGZVFWFLSA-N 413.478 1.968 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CC1=O 1730779841 ACXRJVVZBHBLLX-QGZVFWFLSA-N 424.509 1.360 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(NC(C)=O)nc1 1740609771 SLZORJJRVXNTQJ-UHFFFAOYSA-N 407.434 1.477 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1740622980 MCGMXZVUBBSVOM-SFHVURJKSA-N 403.552 1.434 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1740624975 BZGWNLMELQENOY-IRXDYDNUSA-N 404.492 1.788 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2ccccc21 1740640314 KKYZQOYECAGKHE-OALUTQOASA-N 408.527 1.983 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)C(C)(C)C 1740652546 DQFMLVCRAFCEDN-UHFFFAOYSA-N 402.524 1.355 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740672586 MEPDPVPFPLBNLG-QGZVFWFLSA-N 402.524 1.005 30 10 HDEE C#CCSCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CC#C 1740715493 KBLRRYOTQIPZRP-UHFFFAOYSA-N 402.549 1.674 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740947059 PFNRYVPEIMSTIE-GFCCVEGCSA-N 406.430 1.714 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCOCC2)C1 1740972658 KWMFRCVWDRZTDS-UWJYYQICSA-N 422.526 1.253 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741132702 LKBCQKPLKHFLMK-YKHTYXQRSA-N 413.482 1.294 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1747368246 LDQGSSVGIPIXHN-NQIIRXRSSA-N 418.542 1.532 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1748856134 SMEWDGURKPTWIE-UHFFFAOYSA-N 422.464 1.042 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)OC(C)(C)C)CC1 1749014818 PHIBCFYHWZSQKL-UHFFFAOYSA-N 404.515 1.331 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1749027698 SCTBGBHRBXFAAO-HNNXBMFYSA-N 400.508 1.769 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1749226368 OYUWKJVOAVRMDS-QGZVFWFLSA-N 416.570 1.927 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1749234091 ACBAEKWXFZLFFP-ROUUACIJSA-N 403.527 1.999 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@](C)(C#N)C1 1749649960 DLBVNXOHDVROSX-HXUWFJFHSA-N 401.515 1.629 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749659192 XOFPYRLQYKEYMZ-UFRUDQCGSA-N 406.490 1.716 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2ccco2)C1 1749670122 ROGSCQRQWDHTCT-NVXWUHKLSA-N 401.467 1.645 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1749684138 RBJQSHXWAJAPNA-YJBOKZPZSA-N 424.505 1.509 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1749760955 SJRHYWYSBYXKNR-UHFFFAOYSA-N 403.556 1.727 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1C[C@H]1NC(=O)CC1(C)C 1749832438 HXGCTGDWOBBBEE-QGZVFWFLSA-N 411.510 1.545 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1750980236 HRPOZUZQUOKNNR-IRXDYDNUSA-N 424.461 1.846 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnn(C)c2C)c1 1751652158 CQOFKSNTDBZBMT-LJQANCHMSA-N 407.478 1.985 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1760120000 FUUIGDBWJVRZRT-SFHVURJKSA-N 407.522 1.697 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1760124036 NUXSLSSHMRNITH-ZDUSSCGKSA-N 411.915 1.518 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1760143219 ZFKHUROGQFROSR-UTKZUKDTSA-N 403.527 1.696 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)c1ccccn1 1760206187 SWROLLBYBCBQFL-KRWDZBQOSA-N 411.531 1.626 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc3c(c2)OCCO3)CC1 1760263941 VPUIBDKUFNASMM-UHFFFAOYSA-N 411.506 1.584 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1C 1760294824 HGKAAODSQLUXCS-MIALQEHNSA-N 406.552 1.845 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1OCCC1(C)C 1760294956 KCTWOTIGWWTJOS-JXXFODFXSA-N 406.552 1.987 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1760305388 CSRCXSDOKRPVIW-ZDUSSCGKSA-N 406.288 1.749 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1760390255 HKDZLUREKJUAFT-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)C[C@H]1C 1760406668 JGRGCYNXVRCOOZ-KGLIPLIRSA-N 412.560 1.158 30 10 HDEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)N(C)C 1761394278 VHGHLMFOFCSAQL-KXBFYZLASA-N 424.509 1.980 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1762690884 ICGMWHUUPRSVHJ-BBRMVZONSA-N 416.432 1.908 30 10 HDEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCNS(C)(=O)=O)cc1 1770056744 BMAGASYFEYDRLW-LJQANCHMSA-N 418.523 1.633 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@H]2CCOC2)CCO1 1771537705 UAZLVNHMLWOFJQ-RTBURBONSA-N 412.494 1.436 30 10 HDEE O=C(CS[C@@H]1CC(=O)N(c2ccccc2)C1=O)ON1C(=O)c2ccccc2C1=O 1772789491 IADCYYFCDFTASM-OAHLLOKOSA-N 410.407 1.806 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 1849618340 NYOMRQBFKIJSKA-UHFFFAOYSA-N 404.426 1.867 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1cccc(C)c1)C(=O)NCC#CCN1CCCC1 1850012546 HOEMEJJRJLYPCK-LJQANCHMSA-N 423.604 1.610 30 10 HDEE C#CCOc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)c1 1850102761 GBCNWFATHNUQHW-ZDUSSCGKSA-N 419.425 1.746 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1nnn2c1CO[C@H](c1ccc(Cl)cc1)C2 1850574331 ZQYKTXCAHLALHS-SFHVURJKSA-N 415.881 1.268 30 10 HDEE CCc1ccc(-c2ccc(=O)n(CCC(=O)NCC#CCN3CCOCC3)n2)cc1 1850690766 DTMBAAZHDWCEHH-UHFFFAOYSA-N 408.502 1.315 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 1850832312 GVZZTQDKFVKBPX-UHFFFAOYSA-N 420.413 1.134 30 10 HDEE N#Cc1cnc(NC(=O)[C@@H]2CN3CCN2CC3)nc1-c1ccc(Br)cc1 1851857630 YDBOJKYTDGWIDK-HNNXBMFYSA-N 413.279 1.716 30 10 HDEE CC(C)CO[C@@H](CC(=O)N(C)c1snc(N2CCOCC2)c1C#N)C[N+](C)(C)C 1852806752 JHISDLDSAMVAKF-INIZCTEOSA-N 424.591 1.952 30 10 HDEE Cc1nc(C(=O)NCCN2CCCS2(=O)=O)c(C#N)c(C)c1Br 1853347324 GRRRMFFUOWQQNU-UHFFFAOYSA-N 401.286 1.098 30 10 HDEE NC(=NOCCC(=O)N1CCN(c2cccc(C(F)(F)F)n2)CC1)c1ccncc1 1853562115 AAZDWCBBHTVCMW-UHFFFAOYSA-N 422.411 1.871 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2)CC1 1853688625 YXPBQURVRPQGIA-ROUUACIJSA-N 409.490 1.578 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](N3CCN(Cc4ccncc4)CC3)C2=O)cc1 1853970914 XJNQFBFTMAOTIU-NRFANRHFSA-N 403.486 1.902 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccccn3)C3(CCCCC3)C2=O)CC1=O 1853974023 YFSFFZDCOAZHKN-GOSISDBHSA-N 410.518 1.990 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(Cc3nnc(C)n3C)c3ccccc32)CC1=O 1854055130 XSLNCXGEXYHWOR-HNNXBMFYSA-N 408.462 1.038 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccccn4)CC3)C2=O)cc1 1854079301 BUVGQYGITOKQJS-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2c(OC)nc(C)c(C)c2C)C1=O 1854158090 JTUZIXLYIPPVKE-DLBZAZTESA-N 414.506 1.475 30 10 HDEE CCn1nccc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854258240 ASFSTZRZHSRFOR-LJQANCHMSA-N 406.490 1.334 30 10 HDEE CN(c1ccncn1)C1CCN([C@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1854480325 VBVBZUUYMFOQSC-SFHVURJKSA-N 405.462 1.085 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)C1 1854979195 KBAAOISRRINZAQ-CVEARBPZSA-N 416.547 1.872 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(-n3cnnn3)c2)CCN1Cc1ccc(C#N)cc1 1855636678 SDZPWPYTEXRHNC-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE CC(=O)N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1855794636 ISLAPMGKQADEIH-KRWDZBQOSA-N 416.909 1.949 30 10 HDEE Cn1cnc2cc(C(=O)N3CCN(CCOc4ccc(C#N)cc4)CC3=O)ccc21 1856362656 LWZWDLCFJYJXMQ-UHFFFAOYSA-N 403.442 1.808 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1856497261 ZLNAKGLJKZVZHO-QZTJIDSGSA-N 418.519 1.203 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](CN2CCN(c3ncc(F)cn3)C(=O)C2)CC1=O 1856784632 MUZVEFOKZOSLQB-GJZGRUSLSA-N 403.458 1.242 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnccn1 1856994565 LGZOZOAJXAHHTD-OAHLLOKOSA-N 412.471 1.935 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@@H]1CCN(C)C1=O 1857227802 GTHMZGYUTXOPJO-GDBMZVCRSA-N 404.898 1.371 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCCC[C@H](N4CCC(CC#N)CC4)C3=O)nc2n1 1857247694 ZJKLHCYEUIYFOR-KRWDZBQOSA-N 409.494 1.888 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(F)c(F)c3)C(C)(C)C2=O)CC1=O 1857416823 UOLDKFJLQMQSPO-HNNXBMFYSA-N 405.445 1.949 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3ccc(OC)cc3)c(=O)cc2O)c1C#N 1859647722 FRJGUUQXCUPPRF-UHFFFAOYSA-N 424.369 1.759 30 10 HDEE C#CCOc1cn(CCCCN(CC)CC)c(CSc2nnnn2C)cc1=O 1870300737 SBLZIXUYVHLWMH-UHFFFAOYSA-N 404.540 1.798 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccco1 1874433744 WCMDFEIUQGZTRP-AWQFTUOYSA-N 402.436 1.391 30 10 HDEE C#CC(CO)(CO)NC(=O)[C@@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1888787635 JDDUSWYLENWXLS-OAQYLSRUSA-N 422.481 1.777 30 10 HDEE CCCn1nnc(Br)c1CNC(=O)C#CCNC(=O)OC(C)(C)C 2010348920 DCSUSDBTINCPMI-UHFFFAOYSA-N 400.277 1.595 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(CNS(=O)(=O)N2CC[C@@H](C#N)C2)CC1 2174778974 DHWISPPUCVJPMV-GPANFISMSA-N 400.545 1.997 30 10 HDEE C=CCC1(C(=O)N2C[C@@H](C)[C@@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2181118460 ACUAJPIBYNLJCK-ZIAGYGMSSA-N 401.529 1.183 30 10 HDEE C[C@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)CS(C)(=O)=O 2186602054 LYFPLXDMQIYMDU-LLVKDONJSA-N 423.387 1.372 30 10 HDEE CC1(C)OB(C2=CCC[C@@H]2NS(=O)(=O)C2CCS(=O)(=O)CC2)OC1(C)C 2196836715 LTMHGTHPEYRQAJ-AWEZNQCLSA-N 405.347 1.203 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC(CO)C1 2249998563 KQLMQKNHOFKPHC-UHFFFAOYSA-N 422.331 1.793 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270538865 LBCDSCSYNDMOAF-ZWKOTPCHSA-N 422.503 1.868 30 10 HDEE C[C@@H](N)[C@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)CCO1 2281969923 BCVDZODOBMXYSB-ZYHUDNBSSA-N 400.737 1.889 30 10 HDEE CC(C)NC(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304621 MXFKYKMZYKREDQ-UHFFFAOYSA-N 422.765 1.504 30 10 HDEE C[C@@H]1CC[C@H](CO)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282353906 ZKAZNKSOWTURNK-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC[C@@H]1NCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282420021 UDTZZAAJZHEDTR-KBPBESRZSA-N 400.375 1.607 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](O)[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282494700 BDCQDYZYEHIBRG-GWCFXTLKSA-N 401.359 1.808 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2COC[C@@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282497423 PMIMJHLOOIUCIG-NWDGAFQWSA-N 405.322 1.679 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1CC(CO)C1 2282831176 GEXFTZFPOIYTLQ-UHFFFAOYSA-N 401.359 1.653 30 10 HDEE C[C@@H]1CC[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282832935 DFVDMGCYNKIVHS-NEPJUHHUSA-N 402.347 1.429 30 10 HDEE C[C@H]1CC[C@H](CN)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852764 TVSVGDQWCXOSON-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@H](CN)C2)OC1(C)C 2282856238 PJWOHOYBVAHULB-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@H](O)C3)ccc2Cl)OC1(C)C 2282874181 WTUWXPIANRWHPZ-NEPJUHHUSA-N 401.721 1.831 30 10 HDEE CCN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)C1 2282880357 IBRPTDVDTAZQLW-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE COCC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284459522 MJISRSFNBAZTKR-JTQLQIEISA-N 403.693 1.920 30 10 HDEE COC(=O)NC[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2286131706 PSZZPKRDKIGYLJ-SNVBAGLBSA-N 404.319 1.070 30 10 HDEE C=C[C@]12C[C@H](CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2326726863 RNWNVQGXMORPGP-TXPKVOOTSA-N 408.476 1.736 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(F)c2)CC1=O 2327841434 IHNCKTRLNXIPLJ-CYBMUJFWSA-N 418.498 1.991 30 10 HDEE COc1cc2[nH]c(C(=O)O)c(C=NN=c3[nH]c4ccccc4[nH]c3=O)c2cc1OC 2328794583 VJAQVEZYMFCNCZ-UHFFFAOYSA-N 407.386 1.988 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)C#CC(C)(C)S(C)(=O)=O 2339636189 GFLNUTGSAHVEBM-NSHDSACASA-N 401.510 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365203970 WHKNQOMCIYOKRM-IBGZPJMESA-N 401.525 1.923 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2365206576 ZNIQFMHBAZTYRV-BZUAXINKSA-N 404.573 1.559 30 10 HDEE COCC[C@@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 2365207806 QJTPPQNNRYRNKK-DNVCBOLYSA-N 402.557 1.947 30 10 HDEE CC1(C)OB(c2cc(F)c(F)cc2NS(=O)(=O)CS(C)(=O)=O)OC1(C)C 2379820154 CZXUNPJFQDPSDC-UHFFFAOYSA-N 411.257 1.008 30 10 HDEE CS[C@H]1CC[C@H]1N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2381820549 RXIIDBWAVVPZJY-OLZOCXBDSA-N 401.363 1.234 30 10 HDEE C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OCC(N)=O)c(OC)c1)CC(=O)N2 21785044 PKROOMLBTCLSCH-LLVKDONJSA-N 416.459 1.395 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3CNS(C)(=O)=O)cc2C1=O 24679733 IHDXUXNSURVVBT-AWEZNQCLSA-N 405.476 1.013 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccs1 101442793 VNVDDIWAOUOLSS-WCQYABFASA-N 413.459 1.398 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254488643 NUCJUNLGIPQTEI-OWCLPIDISA-N 408.501 1.670 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@@H]5[C@H]3[C@H]1[C@@H]5C[C@H]42 428008623 QGALDPDKHWFDCN-NSUWLQGQSA-N 417.513 1.776 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)N3CCC[C@H](NC(C)=O)C3)c2c1 428284114 JOIQWZDNXAKNIB-HNNXBMFYSA-N 412.446 1.630 30 10 HDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 432053975 ITXUUWGPYHTQGD-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H]3CCOC[C@H]3C)nnc12 432445316 UGESIUKSQXQRDJ-HIFRSBDPSA-N 413.503 1.864 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)c1 438603711 FKETTWPWXOJYCB-UHFFFAOYSA-N 414.487 1.981 30 10 HDEE Cc1ccc(C(=O)N2CCn3c(C(C)C)nnc3[C@@H]2C)cc1S(=O)(=O)NCC#N 439867604 BNGUULBXNXQRCO-AWEZNQCLSA-N 416.507 1.729 30 10 HDEE CCCc1c(NC(=O)C(=O)NCCN=c2cc[nH]cc2)cnn1-c1cccc(C#N)c1 443740849 AMCARHSAJRCTIV-UHFFFAOYSA-N 417.473 1.680 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCN(CC#N)CC1 446313158 QEMQLMULZKXGPQ-ZDUSSCGKSA-N 414.325 1.527 30 10 HDEE COc1cc(C(=O)NCCOc2ccc(C#N)cc2)cc(NS(C)(=O)=O)c1OC 463995946 VDXOGJRVQCBCLK-UHFFFAOYSA-N 419.459 1.756 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)C2)cn1 466038569 KPCGXVOPGZBGLP-MRXNPFEDSA-N 411.485 1.931 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 474835745 BKGXJKNTSKTNFS-HOTGVXAUSA-N 415.494 1.236 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnn(-c2ccccc2)c1 480464077 HDYAUPMXPFPERG-HNNXBMFYSA-N 409.471 1.727 30 10 HDEE CC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1c(C)nn(C)c1C 482396321 LUSCISRLXBPSGK-CXAGYDPISA-N 403.508 1.843 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486014062 BOJHVLFOOZFMLZ-IBGZPJMESA-N 406.442 1.214 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)cc21 486647239 VDNXURQKHJOXKV-IBGZPJMESA-N 410.499 1.630 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN(c4ncccn4)C3)C2=O)cc1 487059922 PDUYPOVGQRWWPB-MOPGFXCFSA-N 419.489 1.417 30 10 HDEE Cc1nc([C@](C)(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2CC2)no1 497589738 VVRFQFGGQFQUCQ-GOSISDBHSA-N 403.464 1.625 30 10 HDEE CCOC(=O)C1CCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 507529146 HUHPSTREEWHOPV-UHFFFAOYSA-N 421.519 1.921 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 508829712 ZZBQJXUXIYCOIU-SFHVURJKSA-N 415.469 1.962 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(N2CCNC2=O)CC1 508929470 HTOPWCDBLQQSDE-UHFFFAOYSA-N 420.477 1.774 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(F)c1 513122447 NWXYCKWQQWCVJQ-UGKGYDQZSA-N 418.513 1.886 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2cc(C#N)ccn2)CC1 513794491 QVUVQMQXCNKXSG-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1 522878695 WBEWUJMZPWYEOS-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE COC(=O)c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc(C(=O)OC)c1 544876637 BVTQXZBLTJRJKZ-UHFFFAOYSA-N 423.429 1.881 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc([C@@H]4CCOC4)n3C[C@@H]3CCCCO3)CC2)n1 549624761 FJEFVMZGKYMWSF-MJGOQNOKSA-N 423.521 1.944 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Oc2ccccn2)C1 558985833 DYNRREUSUORISU-LSDHHAIUSA-N 406.512 1.517 30 10 HDEE CC[C@@H]1CN(c2ccccc2)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 562189780 NJTBGVJVKLSRJP-GOSISDBHSA-N 412.515 1.964 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CCC)C1 573088535 NNDRVIUTJZPXQD-GJZGRUSLSA-N 412.560 1.350 30 10 HDEE COC[C@@H](NC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)c1ccccc1 575079727 LPKUTTFDMHQVSZ-WOJBJXKFSA-N 420.469 1.279 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 590913997 JJIMHFQPVYVUGP-OAHLLOKOSA-N 415.490 1.257 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 590914185 XIGGGZRRVXXCCI-CYBMUJFWSA-N 403.529 1.180 30 10 HDEE COC(=O)[C@]1(NCC(=O)NCc2ccc(C#N)cc2)CCCN(Cc2ccccc2)C1 611795233 GYWIOJFGCFTFCN-DEOSSOPVSA-N 420.513 1.972 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(Br)sc1Br 717775017 FFMMZDNWCCREQN-ZCFIWIBFSA-N 403.117 1.936 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)C(=O)N2CCSc3ccccc32)C1=O 726043715 QQSHINAMHACEJS-LBPRGKRZSA-N 417.443 1.034 30 10 HDEE N#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1 727850355 UIFVILCRXDHCRX-KRWDZBQOSA-N 421.425 1.980 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731213562 GYIAOVPCENKIIV-DOTOQJQBSA-N 408.520 1.393 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)S(=O)(=O)C1CCCCC1 732155716 DCAPNVGIQHPBGH-FXBHHXAOSA-N 411.524 1.401 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H]2CNC(=O)N2)n(Cc2ccc(F)cc2)c1C 732364572 XEPQMEXOHMPRTP-MRXNPFEDSA-N 413.409 1.327 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccc(N2CCOCC2)cc1 732455000 ABAMOJUKZMCRJQ-CVTQAYBASA-N 413.478 1.410 30 10 HDEE COc1ccc(COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1C#N 747081308 APDRNGMVDXHPKC-INIZCTEOSA-N 424.862 1.603 30 10 HDEE COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 747236903 FBWHHQYKNVYTPR-RMKNXTFCSA-N 412.471 1.650 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(C)c1 749312828 FTYYBCJMRKHGLJ-OAHLLOKOSA-N 423.491 1.915 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 752148683 QAFXIIISLVEGGS-UHFFFAOYSA-N 410.451 1.967 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)NC2(CCN(C(=O)OC(C)(C)C)CC2)C1=O)C1CC1 753984627 UKQKHAAPTLDDCQ-CQSZACIVSA-N 405.499 1.889 30 10 HDEE COC(=O)c1nn(CN2CCN(c3cccc(C#N)n3)CC2)c(C)c1Br 760553696 YHJMTAJWCNRLQU-UHFFFAOYSA-N 419.283 1.787 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H](C#N)c2ccc(F)cc2)C1=O 771242357 GJBGGWAZRLUZFJ-KKSFZXQISA-N 410.405 1.982 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 772945837 ZHHZDAQGXILSFC-GOEBONIOSA-N 407.492 1.195 30 10 HDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)C1 784740941 LRULXARUMWSFSS-GOSISDBHSA-N 420.535 1.818 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)n1 788618486 GUMRPDDOKSUKNJ-QGZVFWFLSA-N 423.473 1.402 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@](C)(O)CO)c1 797617624 IBOPMGRLTAYFGC-RWZYYMRUSA-N 412.512 1.144 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 798741419 PTGWSNXQWDYPJC-CHWSQXEVSA-N 401.423 1.019 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)c(C(F)(F)F)c1 800385694 AMBDSESTWVDUOX-VWNYFEQKSA-N 422.384 1.709 30 10 HDEE COCCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 802387282 KTMUOGYICMRRFJ-LJQANCHMSA-N 412.494 1.206 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccnn3C)CC2)ccc1F 803428964 JOTPUIVBWDUKEX-UHFFFAOYSA-N 404.467 1.953 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 807468547 XBFMMPQSTKJHJC-SFHVURJKSA-N 403.490 1.830 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)CC1 811870587 DZBIJXVSEVFPDA-IRXDYDNUSA-N 408.543 1.468 30 10 HDEE CCCCN1C(=O)CC[C@H](C(=O)N[C@@H]2CCN(O)C2=O)[C@@H]1c1ccccc1OC 816693935 VTYRAYYRDAEGDQ-FCEWJHQRSA-N 403.479 1.881 30 10 HDEE C#CCN(c1nnc(-c2ccco2)n1C[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1122992184 PIYOSXZYFNSDPU-JKSUJKDBSA-N 404.492 1.734 30 10 HDEE C#CCN(C(=O)c1cnc(OC2CCOCC2)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1125954125 PLWWBIXATKDSHW-AWEZNQCLSA-N 412.895 1.555 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCOCC1 1131256838 HRCWHFBSFDBVCQ-QGZVFWFLSA-N 409.508 1.237 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1134718865 WPNOKLPCHQXTSG-HZPDHXFCSA-N 402.472 1.638 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1ccc2c(Br)cnn2c1 1136457855 HHRWEJBNJVIPHQ-UHFFFAOYSA-N 406.284 1.785 30 10 HDEE CN(C)[C@]1(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)COc2ccccc2C1 1138108984 YOCIIGLMDMHTMW-HOIFWPIMSA-N 414.506 1.797 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCC(C)(C)C(=O)OC(C)(C)C)c1cc[nH]n1 1142698380 IJKGSCASFKLLQO-UHFFFAOYSA-N 410.471 1.568 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1150543903 NOSUBABNUIJUIM-OTJKEOIZSA-N 401.429 1.715 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 1177346641 OQKOKMDSVCDIJX-JSGCOSHPSA-N 405.398 1.453 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC)[C@@H]1CCCO1 1189428505 ARYWIOYXWYUKOG-INDMIFKZSA-N 422.503 1.123 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1192080660 NCFHOZKLABUYPB-UHFFFAOYSA-N 411.443 1.845 30 10 HDEE N#Cc1cccc2c1CN(CC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C2 1195704686 PEEGTPUJZGJRGK-UHFFFAOYSA-N 424.526 1.548 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@]3(CO)CCc4ccccc43)C2=O)cc1 1248376518 ZSOHBGGRKCYPLD-QPPBQGQZSA-N 418.497 1.835 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)c(F)c1 1256148209 FUKPNTBTKJWGCM-OAHLLOKOSA-N 411.441 1.303 30 10 HDEE N#Cc1ccc(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)nc1Cl 1266367120 LKVLFNQJNTZJRR-ZDUSSCGKSA-N 410.817 1.744 30 10 HDEE N#C[C@@]1(C(=O)NCC(=O)Nc2ccc(I)cc2)CCCOC1 1272367582 JZJZYSVFXXPYAE-HNNXBMFYSA-N 413.215 1.666 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1286278671 FWBHYPZRFSUNDK-HNNXBMFYSA-N 412.519 1.783 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286292372 HYNGPXDTWJLMHF-YJBOKZPZSA-N 417.535 1.868 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(S(=O)(=O)NC)c1 1286370583 OIFJSALKZCEMOQ-UHFFFAOYSA-N 410.503 1.674 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(C)C)cs1 1286410079 RVTMHPKYZACUNV-HNNXBMFYSA-N 417.560 1.881 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1286432953 DTQFNFZJBROLAJ-SFHVURJKSA-N 403.575 1.149 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1286444148 QNTDVZGHILRRAS-IXDOHACOSA-N 402.543 1.577 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1COCCO1 1286448593 YUKKIKLQWKZPJI-SFHVURJKSA-N 411.510 1.327 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1c(C)noc1C 1286461437 SOOJSMVEFPQZEL-UHFFFAOYSA-N 400.483 1.448 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(CN3CCC(O)CC3)cc2)CC1 1286478268 BEHPDFRYCXUIOE-UHFFFAOYSA-N 422.577 1.601 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286500157 OXUDVQUVPXAVRJ-INIZCTEOSA-N 413.503 1.961 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1286758525 PJTWARXQGGJKEJ-CYBMUJFWSA-N 412.466 1.999 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCO[C@@H]1C 1286760179 KNLUDGVDTOGULD-QRWLVFNGSA-N 417.535 1.988 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286775615 QFIQDXXHPBHAOB-QGZVFWFLSA-N 415.567 1.563 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CCC 1286782214 OHGLTRCOCJGXCU-UHFFFAOYSA-N 405.524 1.887 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1295404838 CCUWWWYPRSOMEY-QGZVFWFLSA-N 413.865 1.605 30 10 HDEE C[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1CC(C)(C)O 1296497217 RPBZGXCKCVEZNA-KRWDZBQOSA-N 407.555 1.941 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCO[C@@H]2C)CCOC1 1296567955 CQQFOXJEIARGJO-TYCQWZJGSA-N 419.526 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300292953 MMRROMMOVLHGGL-LSDHHAIUSA-N 405.499 1.824 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CNC(C)=O)CC1 1300339732 RLIRTPWNNNVPPV-OAHLLOKOSA-N 424.571 1.044 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccc(OCC(N)=O)c1 1300527381 YAMCAMLLFONENG-UHFFFAOYSA-N 402.458 1.269 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300547425 MCCWHWZYCHWOOM-HZPDHXFCSA-N 411.428 1.466 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCOC1 1300653854 PRHFGDXIUKWYSH-GHTZIAJQSA-N 406.527 1.831 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C(N)=O)CC1 1300750770 BNEXQENMJWDCAG-UHFFFAOYSA-N 413.503 1.742 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300957362 UDUGNGYBVNSLIY-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1300990795 IDHYQMVXASQSIY-IRXDYDNUSA-N 418.542 1.565 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301036125 BCBJCXDMWCZISG-LLVKDONJSA-N 413.887 1.382 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](NC(C)=O)C1 1301508702 RHCDQKKUWQOVMG-HNNXBMFYSA-N 417.539 1.041 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1301588802 JNPGKDGWFQCVLL-IXDOHACOSA-N 411.572 1.302 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(OC)(OC)c2ccccn2)ccc1F 1302761102 PZFOLHCFEDMZAA-UHFFFAOYSA-N 423.466 1.561 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)cc1 1302989113 HDVQJIKOUFRZPR-QGZVFWFLSA-N 421.358 1.937 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1303366547 RCDKUQSOYKJINV-HNNXBMFYSA-N 422.493 1.732 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)CCc3c(C)nc(O)c(C#N)c3C)C2)CCC1 1304136957 ASVUGFHFQWAIBF-JOCHJYFZSA-N 415.490 1.905 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1304722894 GBVFOWCGZCUGQF-ZDUSSCGKSA-N 406.498 1.362 30 10 HDEE COCCN(CCOC)C1CCN(S(=O)(=O)c2c(C)cc(F)cc2C#N)CC1 1309477512 HATDPCIVCDHTEW-UHFFFAOYSA-N 413.515 1.754 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1 1309653279 AHGBSCZXYUBXRK-QGZVFWFLSA-N 412.552 1.774 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N(CCN2CCOCC2)[C@H]2CCSC2)c(F)c1 1309667628 FAPQGTXAFICCEH-AWEZNQCLSA-N 417.503 1.665 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cc(C#N)ccc2F)CC1 1351215038 CYOJUEWJICKWIP-UHFFFAOYSA-N 406.439 1.839 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cnc([N+](=O)[O-])n2)cc1 1357704637 XEENQBZVBMIQIK-UHFFFAOYSA-N 404.386 1.850 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1358869886 ZHHPDZCOJSYTQB-QUCCMNQESA-N 424.549 1.948 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358910462 PYAWLWDDHAYYGC-KRWDZBQOSA-N 416.551 1.922 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1358925346 BKCSDWCGCOAXQK-KRWDZBQOSA-N 417.535 1.784 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358944610 ACTJCIHPZZYMKM-AEFFLSMTSA-N 414.535 1.614 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCCn2cccn2)CC1 1359044377 DOAMYUVJNFGTSN-GOSISDBHSA-N 411.510 1.035 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359056961 OTSFAIHPCOOJFP-SJLPKXTDSA-N 416.551 1.850 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1359116030 VLFHERRHAHHADS-CQSZACIVSA-N 402.524 1.951 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCCN2CCOCC2)CC1 1359172832 JUCHRPYXTFGUSR-UHFFFAOYSA-N 404.559 1.931 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccncc2)CC1 1359173298 BMHHRFZJBGKGNB-HNNXBMFYSA-N 404.540 1.928 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1359716399 GNKRDCMDVSJXID-JOCHJYFZSA-N 409.538 1.666 30 10 HDEE CN1CCN(CCCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1441166783 ANFAVVYRYBDLBI-KRWDZBQOSA-N 417.941 1.708 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 1456938737 LKFMPODCPJZLGT-RHSMWYFYSA-N 421.519 1.711 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)C2)nn1 1456995759 RXBJXPOIXSLXPJ-UHFFFAOYSA-N 401.448 1.255 30 10 HDEE N#CCOc1ccc(CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cc1 1460509876 CTVHOPIGHBGTQJ-UHFFFAOYSA-N 414.531 1.685 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@@H]2CC(=O)NC2=O)CC1 1464963888 PBYVWNMAIJHVDN-DZGCQCFKSA-N 419.279 1.211 30 10 HDEE CN(C)CCSc1nc(CC(=O)N2CCN(c3cnccc3C#N)CC2)cs1 1468538764 OPTLXTLWSCQNAA-UHFFFAOYSA-N 416.576 1.955 30 10 HDEE N#Cc1cn(CCC(=O)N[C@H]2CCC[C@H](c3nc4ccccc4[nH]3)C2)c(=O)nc1O 1469390583 XVJUNNJQZZUFHE-ZFWWWQNUSA-N 406.446 1.930 30 10 HDEE COc1ccccc1OC[C@@H](C)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1469440564 XTAUBMOSZRKOQM-YZVOILCLSA-N 407.492 1.290 30 10 HDEE C#CCN(CC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1)C(=O)OC(C)(C)C 1469973813 PDTOKTFVEFKTAZ-IBGZPJMESA-N 401.507 1.740 30 10 HDEE Cn1nccc1C1(O)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1471472965 NOUYLIPFSSEMOW-UHFFFAOYSA-N 416.279 1.220 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 1471832308 CAARQELAOFKYPB-UXHICEINSA-N 403.548 1.442 30 10 HDEE C[C@@H]1[C@@H](NC(=O)NCCn2cnc(C#N)n2)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1478603795 LILFKIVPHUFNRD-APIJFGDWSA-N 403.487 1.625 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1503403774 SWXPQOBMLJFQPH-OAQYLSRUSA-N 411.510 1.097 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)c(OC)c1 1504203765 UJSLVOWYVMTFLJ-SFHVURJKSA-N 424.505 1.953 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507631452 DNJZIPICTAWQGM-XLIONFOSSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N(C)C 1507662347 ILSCAAILXKNURA-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C 1507687156 LEAAQGQLXOVWPO-HNNXBMFYSA-N 403.556 1.648 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCn1cc(CO)nn1 1507806677 IUWSEHUEJOGJHI-UHFFFAOYSA-N 402.503 1.091 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1CCCS(C)(=O)=O 1508005405 WNCORMMODSEHBI-QGZVFWFLSA-N 417.535 1.857 30 10 HDEE CC(=O)N1CCN(CCn2c(CC3CCCC3)nnc2N(C)C[C@H](C)C#N)CC1 1508271170 BHZZTHTXUBISGO-QGZVFWFLSA-N 401.559 1.771 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCNC(=O)c1ccco1 1511887092 APYSXDMGYUOJLD-UHFFFAOYSA-N 405.462 1.808 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1515636063 BUKAOIGDYDBBDJ-QFIPXVFZSA-N 420.521 1.643 30 10 HDEE COC[C@H](Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1)OC 1518726581 DFLOBZZXPNAVLE-VHFSOBRXSA-N 417.441 1.894 30 10 HDEE COCC1=CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1518822276 RQAXOQXNDGEJLN-HNNXBMFYSA-N 417.491 1.476 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2ccc[nH]2)n1Cc1nncn1C 1519129730 BZARKGVQHLYLJT-UHFFFAOYSA-N 417.477 1.975 30 10 HDEE Cn1cc(-n2cc(C(=O)NC3(c4ccc(C#N)cc4)CCOCC3)ccc2=O)cn1 1531825671 HAMWHRXEOQMBJT-UHFFFAOYSA-N 403.442 1.878 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCNC4=O)cc3)cc2C1=O 1536780951 PNXVZGUMKFBHLI-UHFFFAOYSA-N 404.426 1.928 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC12COC2 1537145298 IMUFIDVVLOCJKH-KRWDZBQOSA-N 420.487 1.416 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2Cc3ccc(Br)cc3C(=O)O2)C1=O 1538451615 LUWXGDCEJHFEKB-HUUCEWRRSA-N 407.264 1.776 30 10 HDEE C[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1[N+](=O)[O-] 1538849982 OLGIWESEKJXERP-GFCCVEGCSA-N 402.432 1.553 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)cc1 1539026816 AVVKJUGNELRQHR-QGZVFWFLSA-N 405.476 1.725 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539044544 CYTLSIYLXYHORF-IAGOWNOFSA-N 412.494 1.969 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1539175233 SQMYINMESTUUBT-LJQANCHMSA-N 408.506 1.179 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1noc2c1CCCC2 1539343562 MGZGKQSJEOKWTD-CYBMUJFWSA-N 406.512 1.263 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2CC(F)(F)C2)CC1 1539428212 NXGXQUZIWYWLJV-UHFFFAOYSA-N 408.497 1.997 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C(=O)NC 1539627624 KGRNGLCCEHGYCF-AIANPOQGSA-N 404.515 1.029 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(N)=O)CC1 1539917887 YAZBMGUGWBSBID-OAHLLOKOSA-N 409.556 1.484 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCOCC1)C1CC1 1540109782 TXSIFJGQUAJINQ-IRXDYDNUSA-N 423.583 1.303 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1540859363 WPEWALQOMWLEIT-OAHLLOKOSA-N 417.583 1.857 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)c1 1543031980 ONUZTCAWJKGIJG-AWEZNQCLSA-N 407.467 1.501 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CCNC2=O)c1 1544607983 LMXPVFZTAPAWJD-ODENVGOISA-N 406.508 1.744 30 10 HDEE CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1CCOC 1546740224 XSGVXWZJTYGXNF-QGZVFWFLSA-N 424.509 1.739 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1555557480 UOEHXWGMPAUFIU-XLIONFOSSA-N 415.498 1.383 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCn2cc(Br)cn2)c1 1556531438 KCBWBAPGCYYHGE-UHFFFAOYSA-N 415.244 1.512 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CSc1ccc(S(N)(=O)=O)cc1 1556855503 FRXMLDGPFZXQEH-UHFFFAOYSA-N 419.528 1.973 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)C(=O)NCc2cccs2)cc1 1557191529 PTXNHRMYUAGBRQ-KRWDZBQOSA-N 419.528 1.484 30 10 HDEE CN1C[C@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1557385705 IMMDNXHTECDICD-IAGOWNOFSA-N 416.478 1.128 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)c1 1557727784 STTYWMMKKIBPNP-LJQANCHMSA-N 417.506 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1558035573 KDOCTYOVEFRCIG-ROUUACIJSA-N 412.490 1.657 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC[C@@H]1C1CC1 1558643261 QLCBMTBWNGDXHP-KSVNGYGVSA-N 423.535 1.561 30 10 HDEE CN(CCS(=O)(=O)c1cccc(C#N)c1)CC(=O)Nc1ccc2c(c1)OCCO2 1560046487 QLTLSEMWVZNVRA-UHFFFAOYSA-N 415.471 1.674 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@@H]1C(F)(F)F 1564720379 ABHGTCQHEDPEGJ-RYUDHWBXSA-N 421.420 1.361 30 10 HDEE C#CCC[C@H](O)CNC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1565316658 XQTSKZNGAULNDW-SFHVURJKSA-N 410.559 1.783 30 10 HDEE CS(=O)(=O)[C@@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1565809599 PTWKYFGBTLNQDN-NWDGAFQWSA-N 402.469 1.209 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C[C@@H]2CCCO2)C(F)(F)F)c1 1570858692 DHBGKAOSQSYLBC-DZGCQCFKSA-N 404.410 1.828 30 10 HDEE CN(C)CCSc1nc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cs1 1583087412 HELXZBLEFOWYOL-UHFFFAOYSA-N 416.576 1.955 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)Nc3nc(CC(N)=O)cs3)C2)C1 1583134381 WYBOCQOOUNKVOZ-DKXWOSEQSA-N 419.507 1.896 30 10 HDEE C#CCN(C(=O)CC[C@H]1CCOC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1585658506 QCEYXSLRWNFEBC-MZNRPPOFSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O 1587677388 GQNBPHHNASODJT-HNNXBMFYSA-N 407.565 1.886 30 10 HDEE C=CC1(CC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1587724318 WUYRSSVKRHXSHC-INIZCTEOSA-N 420.554 1.611 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1587921698 GKXBAIVLPSPGAH-NRFANRHFSA-N 405.543 1.499 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2c3ccccc3C(=O)N2C)ccc1F 1588132263 PAOFUTXHIODCQG-QGZVFWFLSA-N 417.462 1.847 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1589054174 ZYTVVMPSZLJTBQ-UHFFFAOYSA-N 411.535 1.342 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](COC)C1 1594733380 SDRZGNCNXIEBQU-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2CCCN2CCN(c3ccncc3)CC2)C1 1595681459 RKRQLPQXEFIENL-NRFANRHFSA-N 411.554 1.975 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1596830656 CYWHGLDYVNMBJR-HNNXBMFYSA-N 405.528 1.188 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1 1606803484 XZQPXWAWPTUPOE-VQIMIIECSA-N 410.474 1.225 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC(C)(C)O1 1612948934 RBAWSZRFIWTDID-KBPBESRZSA-N 419.507 1.697 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OCC)ccc21 1614154390 CGSIWNMWHRYZEP-ATQAJOFPSA-N 421.544 1.834 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)s1 1615895780 KIOFJIWEJWBKQK-CQSZACIVSA-N 419.528 1.677 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1617676007 LHXULKQKDVLYKI-CQSZACIVSA-N 422.507 1.963 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2sc(S(N)(=O)=O)c(C)c2Cl)n1 1618758077 BBGQKKOXCDHZEZ-UHFFFAOYSA-N 400.913 1.849 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CNS(=O)(=O)c1ccc(Br)s1 1618814193 PKCRGXFUHCTTPJ-UHFFFAOYSA-N 424.386 1.755 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN3CCOC[C@@H]3C2)n1Cc1ccc(C#N)o1 1620022958 XFFXWUQQJZEJIC-CVEARBPZSA-N 416.482 1.036 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)NC[C@H](CO)Cc1cc(Br)ccc1F 1622146001 HGKFOWZJNWZUAZ-VXGBXAGGSA-N 422.320 1.665 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3ccc(C(F)F)n3)CC2)cc1 1624062093 LJTMBESVLJIUMU-UHFFFAOYSA-N 409.418 1.225 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](c3cnn(C)c3)C(C)(C)C2)c1 1625016291 QPJKSYRCJSRXED-GOSISDBHSA-N 400.504 1.597 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1628508212 MKBRYXXBGOTRAA-AWEZNQCLSA-N 419.503 1.475 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)CC1 1628786962 LWRDFPHYAKFSCH-UHFFFAOYSA-N 419.272 1.734 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1632797664 UZCSAFNWWFDIPR-KXBFYZLASA-N 400.479 1.206 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1 1632960158 BQHKABWBVHDXKT-UHFFFAOYSA-N 415.302 1.700 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2O[C@@H](C)CC)CC1 1633106898 DOXNILOSRPGNMQ-KRWDZBQOSA-N 422.551 1.467 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3ccc(NC(C)=O)cc3C2)c1 1634080880 GODBQGVNQCNZHI-UHFFFAOYSA-N 411.483 1.755 30 10 HDEE C[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N1CCC(Cc2ccccc2)CC1 1635697072 GNESHPAVZXJBOI-AGHHOFFYSA-N 415.559 1.726 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cnc(Br)cn1 1636454763 WZRPEYCRXXLONN-JTQLQIEISA-N 424.280 1.094 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)C2)nc1 1636786804 SKEAFAIFMITBCX-NFBKMPQASA-N 406.486 1.960 30 10 HDEE CSCC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)N(C)C 1638188960 QVBOLQKKEPFCFW-AWEZNQCLSA-N 401.485 1.063 30 10 HDEE Cc1cnc(CCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)c1 1640371826 AAWFKXSVYFWPCF-HNNXBMFYSA-N 400.504 1.874 30 10 HDEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)C1O 1641125974 PJVHRLXGJFVCBX-HUUCEWRRSA-N 407.536 1.761 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1641858257 MXTOMQBESKHJDM-SJORKVTESA-N 407.511 1.294 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cc(C#N)cnn3)CC2)CC1 1642959488 YHJKUTDGDSGCKF-UHFFFAOYSA-N 401.471 1.143 30 10 HDEE COC(=O)c1ccc(N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)c(C#N)n1 1643306510 FELBLZILXBBFIK-UHFFFAOYSA-N 401.467 1.481 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)CC1 1643372432 LFBJNVOWZUANSW-KRWDZBQOSA-N 407.536 1.498 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCNC(=O)N1CCc2ccccc2C1 1643402906 BVAJEXZQRXXZGA-UHFFFAOYSA-N 423.477 1.214 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1)C(=O)OCC 1643588648 DVMOGBAQIRCGQH-GFCCVEGCSA-N 422.862 1.215 30 10 HDEE CNc1cc(I)ccc1C(=O)N(CC#N)CCC(=O)OC 1643855145 PLFDPWPBJAVUMB-UHFFFAOYSA-N 401.204 1.862 30 10 HDEE CNC(=O)N[C@H]1CCCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)C1 1644495837 DHBQCTSPUZRVFA-INIZCTEOSA-N 412.494 1.950 30 10 HDEE C=CCCn1cc(C(=O)N[C@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)nn1 1644546178 ZPZZDEHBVAWBHJ-OAHLLOKOSA-N 421.498 1.773 30 10 HDEE C#CC1(O)CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1646157102 BWXZZETUYDZISL-UHFFFAOYSA-N 403.483 1.450 30 10 HDEE COC(=O)[C@H](CNC(=O)C1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCOC1 1648881089 YOLWTZDZZJECPM-IAGOWNOFSA-N 403.454 1.856 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)CCOCC1 1654005002 UUIMUWXDHYPWLI-LJQANCHMSA-N 420.941 1.967 30 10 HDEE CO[C@@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)N(C(=O)OCc2ccccc2)C1 1654363287 RADBYVMPPPKVPJ-ZCNNSNEGSA-N 414.506 1.764 30 10 HDEE CNC(=O)CN(CC(=O)NC)Cc1ccc(OCc2cccc(C#N)c2)c(OC)c1 1654702321 UWUPGLHNWRINBD-UHFFFAOYSA-N 410.474 1.440 30 10 HDEE COc1ccc(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1OC 1654888774 GOLJAOCZNCRAOU-LRDDRELGSA-N 415.309 1.836 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)C1 1668657763 VXHQOUVFCBSAQV-LJQANCHMSA-N 410.522 1.359 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1 1672262713 PPBRLWUTFQKZAX-KRWDZBQOSA-N 405.520 1.858 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(=O)N(CCC(F)(F)F)C3)C2=O)cc1 1672352019 BRELELHPZZPSFC-OAHLLOKOSA-N 423.395 1.423 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1682794054 BNSMREOGPZQLPS-JJXSEGSLSA-N 400.445 1.382 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(C)(N3CCOCC3)CC2)C1 1686056322 VYYSLQKSBXPESX-IRXDYDNUSA-N 421.542 1.642 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCc2ccc(N3CCN(C)CC3)cc2)CC1 1687875132 CHBWQAWKQWMUMB-UHFFFAOYSA-N 413.522 1.469 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1690077142 JNASIQQHHHOFLU-OAHLLOKOSA-N 406.483 1.836 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1690175522 ZAFCYZMWSHGBBW-OIISXLGYSA-N 424.592 1.550 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1CCN(C(=O)OC)CC1 1690189190 WBSLQWOEXKHQOW-OAQYLSRUSA-N 416.526 1.887 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)OC 1690620324 XZLXBKAYPCKDJO-HNNXBMFYSA-N 412.494 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CC)C1 1690731678 PSIDYKVSTFSOTL-IKGGRYGDSA-N 412.556 1.839 30 10 HDEE C=CCSCCn1c(-c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1690738534 QEXWBXGQWDVXCY-UHFFFAOYSA-N 407.565 1.946 30 10 HDEE C[C@@](O)(Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)CC1)c1ccco1 1692804898 GQNUARTWNRLMIR-HXUWFJFHSA-N 411.487 1.886 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)C1 1692843174 HGSPQVPLEMUOHV-HXUWFJFHSA-N 413.482 1.454 30 10 HDEE COc1cccc(C(=O)NCCn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)c1 1697499690 BCBQITSQLWTVON-GOSISDBHSA-N 410.478 1.398 30 10 HDEE COCC1=CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697821281 FFDZLWANTQLLSI-ZPHPHTNESA-N 400.483 1.711 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697928522 AMLDCLDKZWPYCI-OAQYLSRUSA-N 423.477 1.596 30 10 HDEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1697961367 FUOWCNRMNHROKW-QZTJIDSGSA-N 424.505 1.870 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1705500062 FORSAEDCCQYMBO-CYBMUJFWSA-N 414.491 1.910 30 10 HDEE C#CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1705522286 ZOSVMVJPXRYTHQ-PXNSSMCTSA-N 424.567 1.746 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705532996 SYLVTHYQEFHYSD-QZTJIDSGSA-N 416.551 1.940 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccco1 1705620943 LQXBJGRDIJIUHZ-HXUWFJFHSA-N 401.467 1.101 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@]1(C)COCCO1 1705624820 QDVXHGQTHCCADN-NRFANRHFSA-N 400.479 1.845 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCOC1 1705664498 QKJKOZCAJCTXCH-AWEZNQCLSA-N 405.549 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1705674356 GUGKDJIQHXWMMM-PDOICOKGSA-N 421.567 1.964 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCS(C)(=O)=O)CC1 1705765036 WROWJGKRYJJFIJ-UHFFFAOYSA-N 424.548 1.550 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705819581 OUTJUUDHJOVPPW-MRXNPFEDSA-N 423.583 1.841 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCOC1 1705885228 LJFXSVCDKFGYBZ-NQIIRXRSSA-N 416.478 1.581 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)C[C@@H](C)C(=O)NC 1705896362 KBKKLISSATUMMI-CQSZACIVSA-N 400.483 1.074 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](c2ccco2)C1 1705931950 GIFLGIOATAVTMQ-HNNXBMFYSA-N 416.507 1.866 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1705946642 NEBUSZDNDRDWEV-CQSZACIVSA-N 403.574 1.376 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1706072478 CYYBLROFGDRVTP-ZIAGYGMSSA-N 402.455 1.407 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1710114069 RYQFRNHQXOCRCI-HIFRSBDPSA-N 422.511 1.407 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CC1 1710789072 IJJGMEIYNKYXRT-HOTGVXAUSA-N 423.539 1.116 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1711270297 HUTKLFAIKXBNOO-UGSOOPFHSA-N 401.858 1.201 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1712330718 MRZTYOIEIVPBMJ-LNMJFAINSA-N 411.478 1.232 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1722295279 VHHXXYAAEWADGG-AWEZNQCLSA-N 402.524 1.611 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722341192 AMLJUHPNBJANLU-MRXNPFEDSA-N 423.525 1.084 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCc1c(OC)cc(OC)cc1OC 1722341246 BKNHITASVDOBMC-UHFFFAOYSA-N 415.494 1.754 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1scnc1C)[C@@H]1CCS(=O)(=O)C1 1722371686 XOSUINOTPOTCHJ-OAHLLOKOSA-N 423.564 1.449 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1722430724 IMMMYVHSRRKIAK-OAHLLOKOSA-N 408.462 1.859 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1722433374 SYZQWCLESQREKU-GCJKJVERSA-N 416.570 1.168 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CC1(CS(C)(=O)=O)CC1 1722476071 YBGYLTYCSPTJMA-QFBILLFUSA-N 406.552 1.989 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1722481610 FDEUFBVGDFGNOU-VXGBXAGGSA-N 407.228 1.758 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@H](CC(N)=O)C1 1722701478 RATGLRJWGKFDFV-GOSISDBHSA-N 410.522 1.457 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1722720625 NCKIVUDDXYEACL-IRXDYDNUSA-N 409.556 1.293 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1726708619 HTGNNOXDRAXWNT-IWAYJWFOSA-N 421.505 1.883 30 10 HDEE CCOc1ccnc(N2CCN(c3nnc(CC)n3Cc3ccc(C#N)o3)CC2)n1 1728906569 HXMXGBGYKXUTOW-UHFFFAOYSA-N 408.466 1.869 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCN(C(C)=O)C1 1730818037 HTTTYINHGGEUJR-LZLYRXPVSA-N 406.531 1.999 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1731180688 CFGNJJUQDCXYKJ-LJQANCHMSA-N 418.498 1.531 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCOCC2)CCO1 1731190464 QVGKUCSWOIWYTN-ROUUACIJSA-N 404.515 1.013 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1740626628 XPTPKBJLGDCNDS-INIZCTEOSA-N 407.540 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1740644020 YESPYUBIUXZHNJ-UHFFFAOYSA-N 416.485 1.282 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@@](C)=O)CCC1 1740660061 DMEAMNHKAWWKIT-MUUNZHRXSA-N 400.508 1.686 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 1740890108 SYAGWWZQWWPDCV-UYAOXDASSA-N 418.586 1.996 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)CC)C1CC1 1740908825 MTNRNIFNYYECPX-UHFFFAOYSA-N 419.507 1.768 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1740946283 GOQBUKFXHSRVQY-BZSNNMDCSA-N 401.559 1.410 30 10 HDEE CC[C@@H](C)c1nnc(N(C)CC(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1743580252 GLBMVANGLSZIHT-UFOSLELVSA-N 417.514 1.279 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CC2)CCOC1 1746674420 FXDCZRPRQFATIF-HMILPKGGSA-N 407.540 1.581 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1748821425 QKOICSXMHUKVIZ-KRWDZBQOSA-N 422.576 1.720 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](OC)C2CC2)CC1 1749010715 VTAQFKUYMAFJNL-OALUTQOASA-N 415.538 1.911 30 10 HDEE COC[C@H](C)Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1749306375 IBMFZOVXYQNFBI-CYBMUJFWSA-N 406.450 1.553 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1749422214 ZNHNCSOJNLSHJX-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749705564 JIYCPLZQISRVPM-HOTGVXAUSA-N 418.523 1.484 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1760278028 JGIAFLBHHLQBQH-OAHLLOKOSA-N 407.565 1.966 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1760357690 LUYKNQMMQXIZRI-ZACQAIPSSA-N 412.556 1.777 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 1760511653 DMUUFOVQSQPZCI-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCOC2)C1 1760526819 UOBTZDLZLZUUMN-JOCHJYFZSA-N 422.489 1.648 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760566497 VMOPEFBFCWTGCQ-DLBZAZTESA-N 404.540 1.803 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@@H]2CCOC2)C1 1770732493 YYASVHLMIRXOFV-BEFAXECRSA-N 406.462 1.038 30 10 HDEE C[C@H]1NC(=O)[C@@H](CC(=O)OCc2cccc(COc3ccc(C#N)cc3)c2)NC1=O 1850522577 FBJOTYQAORNSFW-AUUYWEPGSA-N 407.426 1.574 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)n1 1851348972 QCIJVNFLFQKATR-IBGZPJMESA-N 406.442 1.695 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@H]1CCN(C)C1=O 1851732634 YSVVHYVIBJRMJR-IBGZPJMESA-N 419.547 1.641 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3c(C#N)cnn3CC(F)(F)F)C2)cc1=O 1851837190 DIWIKTSPTIMBDR-LLVKDONJSA-N 409.372 1.266 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)Nc2nc(N3CCN(C)CC3)n[nH]2)c2ccccc21 1852968607 MNDRHEMNKPAZGX-UHFFFAOYSA-N 424.509 1.582 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cncc(Br)c3C)C(=O)C2)C1 1853741989 SEBKAYMWSQSXIW-CQSZACIVSA-N 407.312 1.697 30 10 HDEE Cc1cc(CC(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)on1 1854168208 LMMLEWAGXONHBH-IBGZPJMESA-N 407.474 1.343 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)c2cnn3ccc(C(F)(F)F)nc23)C1 1855426333 GIGVNRPNAVAWIQ-GFCCVEGCSA-N 408.384 1.972 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CC(=O)N(C(=O)CN3CCOC3=O)C2)CC1 1855853713 YMMDOILFYDFPHR-KRWDZBQOSA-N 410.474 1.371 30 10 HDEE Cc1nc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)c2ccccn12 1856310515 USMBSSHJJUPHRD-UHFFFAOYSA-N 403.442 1.878 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1856430277 DMQWUCQWFVCOGG-QZTJIDSGSA-N 403.504 1.126 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@@H](C)N(S(=O)(=O)CC)c3ccccc32)CC1=O 1856492117 FHTMLINBFRLSRD-HUUCEWRRSA-N 419.503 1.529 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1856787161 DVVPWDKSUMWMSM-LAUBAEHRSA-N 400.454 1.121 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)c1 1856954697 XQUTXTWLTMBODE-MOPGFXCFSA-N 412.490 1.456 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1857489197 BLYSBJGMZCUTLO-JKSUJKDBSA-N 424.523 1.080 30 10 HDEE Cc1cccc(CS(=O)(=O)N[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858334446 HURJDPSOZUWYNX-GOSISDBHSA-N 419.528 1.749 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cc(F)ccc2F)cc1 1858964353 DETZQFXLSRXDOJ-UHFFFAOYSA-N 408.382 1.943 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OC)cc2)cc1 1858970440 JGILVQIYAZLLQW-UHFFFAOYSA-N 417.487 1.842 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861272306 RJCWLNOIZBBVHJ-AEFFLSMTSA-N 415.877 1.428 30 10 HDEE C=CCNC(=O)[C@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2ccccc2Cl)c1=O 1861315494 NLMJMQBWVGFTLI-MAUKXSAKSA-N 415.877 1.428 30 10 HDEE Cc1ccc([C@@H](C#N)NC(=O)CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 1867601507 WQOWBAOJEBPFJN-QGZVFWFLSA-N 400.460 1.477 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCC)cn1CCCn1ccnc1 1870533922 DRFZIEUKTPYKHO-UHFFFAOYSA-N 413.522 1.824 30 10 HDEE C=CCN=c1nc(N(CCO)Cc2ccccc2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535431 AIEWJWDSZAJQFW-UHFFFAOYSA-N 420.473 1.785 30 10 HDEE C=CCN(CC=C)c1nc(=NCCC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871630245 LODHJUPNYMJWQY-UHFFFAOYSA-N 407.478 1.685 30 10 HDEE C=CCN([C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)CCC 1872271661 RZYSMFDBMIHGNT-QGZVFWFLSA-N 408.568 1.993 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)ccc1C#N)C1(O)CN(C(=O)OC(C)(C)C)C1 1918785888 RISAGWQAJIASJZ-NSHDSACASA-N 415.899 1.860 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1ccc(I)nn1 1961805791 UJXGQWKDBUTNNC-UHFFFAOYSA-N 404.027 1.732 30 10 HDEE COC[C@@H](ONC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985150099 LSUXJHAVGZYBAA-QZTJIDSGSA-N 418.494 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CBr)S(=O)(=O)C(C)(C)C1 2021162276 FAWNKAZRJUDJNC-LLVKDONJSA-N 423.329 1.271 30 10 HDEE CN(c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br)C1CS(=O)(=O)C1 2052612052 WOGDINCSTGAFKN-UHFFFAOYSA-N 417.134 1.377 30 10 HDEE C[C@]1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCCN(C(=O)OCc2ccccc2)C1 2054405304 ZMDKKHWKCRWUCZ-MJGOQNOKSA-N 406.508 1.858 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)c1cncc(C#N)c1)NC(=O)OC(C)(C)C 2118166226 IDUITFMUGRSWOU-NDHGSNPTSA-N 402.498 1.653 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)c1cc(C#N)ccc1Cl)C(=O)O 2151775727 JXIIFZDQDMMITE-GFCCVEGCSA-N 417.871 1.858 30 10 HDEE CCOC(=O)CS(=O)(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631266 MFTHPSRSQHKBLC-LLVKDONJSA-N 403.331 1.591 30 10 HDEE Cc1nn(C)c(C(=O)NCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243424265 OEIRKWRUAOQLTE-UHFFFAOYSA-N 408.308 1.282 30 10 HDEE C[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247817755 QCSBYQPIPNBCGB-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249999871 ATERSIARZGDENF-HZPDHXFCSA-N 422.331 1.888 30 10 HDEE Cc1cc(C#N)cc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270506162 PXAKPRVFCXMOQK-QGZVFWFLSA-N 417.443 1.988 30 10 HDEE CN(C)CC1(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)COC1 2281931179 CKMCJROAEHPIJW-UHFFFAOYSA-N 400.737 1.761 30 10 HDEE CCN(C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](C)CS(C)(=O)=O 2282204439 JSLORHCTMJMURN-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CC(C)[C@H](CN(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336605 GFUCWLKMZDSYGO-AWEZNQCLSA-N 402.391 1.912 30 10 HDEE CC1CC(CO)(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282351790 GKOOQSBAJPJLPE-UHFFFAOYSA-N 401.359 1.734 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H]3CO)c(Cl)c2)OC1(C)C 2282507741 LWCWPJZVQXLOQZ-BXUZGUMPSA-N 401.721 1.688 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CS(N)(=O)=O)c1C 2282574196 LOLRPBMHLBRPTE-SECBINFHSA-N 402.347 1.071 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3nc(O)n[nH]3)cc2Cl)OC1(C)C 2282831891 GFLRLSGAMJCTLL-UHFFFAOYSA-N 420.709 1.003 30 10 HDEE C[C@H]1COCC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874894 HPKDFRFYIJIOPT-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE C[C@@H]1CNCC[C@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878021 ZYNGCEOIFHZCGV-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE CC[C@@H]1C[C@@]1(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400894 CKSJKAFMVPYZJM-HWPZZCPQSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@H](C(=O)O)C2)OC1(C)C 2284408581 ANGXFASCVYAQIO-NSHDSACASA-N 401.315 1.533 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284409452 JLBVRMYAVZJPAJ-GFCCVEGCSA-N 403.331 1.720 30 10 HDEE O=S(=O)(NCCC#CCO)c1cc(Br)sc1Br 2303695650 DTHWNKNRMDCKLJ-UHFFFAOYSA-N 403.117 1.937 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC(C)(C)[C@@]1(NCCC#CBr)C(=O)O 2305979557 CIQDACBEBZLJCO-BZNIZROVSA-N 405.289 1.847 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccncc1 2330748059 YTWBYVUDRKWXMW-UHFFFAOYSA-N 413.463 1.193 30 10 HDEE C[C@@H](O)CCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2361279248 SKQOVXSDUDUXGV-GFCCVEGCSA-N 404.363 1.365 30 10 HDEE Cn1cc([C@@H](C#Cc2nccs2)OCCCN)c(I)n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c2ccc(I)cc2)CC1 2367845647 CAFMMWYDXVMHAX-ZDUSSCGKSA-N 404.225 1.474 30 10 HDEE CS[C@@H]1CC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2381310133 PLRVIMGRFSKXKU-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE Cc1ccc(OC[C@H](O)CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 14078087 SSWAQVXEYAEZPU-LJQANCHMSA-N 415.515 1.613 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(C)cc1 16893833 BUWQQGNGZPKALJ-OAHLLOKOSA-N 403.464 1.371 30 10 HDEE COc1cc(Br)cc(/C=N/NC(=S)NCCN2CCOCC2)c1O 45922611 GMEQRBIJVJKKBR-VCHYOVAHSA-N 417.329 1.294 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)CC1 53310075 QKWCTYRSOFIXDG-UHFFFAOYSA-N 410.522 1.950 30 10 HDEE Cc1ccccc1CSc1nnc(N/N=C/c2c(C)nn(CCO)c2C)n1N 59914460 OPIWDKGBGCIKKK-KEBDBYFISA-N 400.512 1.844 30 10 HDEE C=CCOc1cccc(C(=O)N2CCC3(CC2)[C@H](C(=O)OC)CC(=O)N3OC)c1 72153696 BLWHNUYZBSPISD-KRWDZBQOSA-N 402.447 1.809 30 10 HDEE Cn1cc(C(=O)NCC2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)cn1 97549694 WVZSYKYAWXAUIU-UHFFFAOYSA-N 405.455 1.262 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)CN(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 138807332 VECNPZKGJISYQZ-HXUWFJFHSA-N 409.531 1.052 30 10 HDEE CCOC(=O)NC(=O)CSc1nnc(N/N=C/c2ccc(O)c(OCC)c2)[nH]1 253569707 MRMRSHPXRNAQMK-CAOOACKPSA-N 408.440 1.720 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC(=O)NCCO)cc3)cc2C1=O 426886904 QNQIAYPSSIGZQY-UHFFFAOYSA-N 407.426 1.372 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)Nc2ccc(F)cc2C#N)CC1 435163893 ALYLOKSMTRQWBP-UHFFFAOYSA-N 417.466 1.960 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 441220350 TXPMDBNHQZDKFV-RGVDIWCNSA-N 419.865 1.964 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CCSc2ccccn2)CC1 445643368 VLTULKMPMULDMA-UHFFFAOYSA-N 416.528 1.969 30 10 HDEE COc1cc(CNC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)ccc1C#N 460607282 OPMSUCZTNYZAIF-UHFFFAOYSA-N 408.462 1.102 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCC3CCS(=O)(=O)CC3)C2=O)cc1 486511166 HLESZWFMXMPDKF-SFHVURJKSA-N 418.519 1.173 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCCc2nnc3n2CCC3)CC1 489148888 QXLKBLWRVPBCDL-UHFFFAOYSA-N 421.461 1.919 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2cc3n(n2)CCCC3)CC1 492957982 YKUNTXOECCDHGV-UHFFFAOYSA-N 414.491 1.629 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cn1 505281928 UDEFTEAVLHUGKW-QGZVFWFLSA-N 406.446 1.270 30 10 HDEE Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(c2cccc(C#N)n2)CC1 508190658 QTIBDDJZVOIYAN-SFHVURJKSA-N 403.446 1.921 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4Cc5ccccc5O4)n3C)CC2)c1C#N 508778676 LWAXGCYLUYBSDJ-SFHVURJKSA-N 404.478 1.732 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508868124 SZPAKQWAWIDXRU-UHFFFAOYSA-N 424.505 1.013 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)CC1 520782060 JWGFDSCQUVXGRL-RYRKJORJSA-N 414.535 1.328 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@H]1CCCO1 522535892 LZVXLLDMHVVUOS-IUODEOHRSA-N 417.556 1.972 30 10 HDEE N#Cc1cccc(CC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 530668653 QUDIPHSXYMOZLU-LJQANCHMSA-N 413.499 1.874 30 10 HDEE CCOc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)n1cnc(C#N)n1 540603881 AXARHROKJIAOFH-ZDUSSCGKSA-N 420.495 1.779 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN(Cc2nc(C)no2)CC1 559028489 WDJKKKRMJHABJC-HNNXBMFYSA-N 405.503 1.592 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CNC2(CO)Cc3ccccc3C2)CC1 581505922 IXFSUBWECGWBQK-QFIPXVFZSA-N 422.504 1.654 30 10 HDEE CCOC(=O)c1cnn(C2CCN(C(=O)NC3CCN(CC#N)CC3)CC2)c1C 588132293 GLRBJRNJAFUSTO-UHFFFAOYSA-N 402.499 1.703 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 588292446 XLQFEJQBXXMWMQ-CKEIUWERSA-N 404.492 1.895 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 590061690 JPYFKQKLKMRLDC-QGZVFWFLSA-N 408.568 1.530 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 604170545 IHUKSWQSDAZWFJ-MRXNPFEDSA-N 404.511 1.703 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2coc(-c3ccc(C)cc3)n2)CC1 604189017 FXUBWMUIPJMPMH-UHFFFAOYSA-N 411.506 1.822 30 10 HDEE C[C@H]1C[C@@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C(=O)N1c1cnn(C)c1 613156746 YYJOZIIPQDQPBF-BLLLJJGKSA-N 405.422 1.188 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(Br)c(F)c(C(=O)OC)c1 617923182 RGRLSPWORQAUSH-UHFFFAOYSA-N 403.204 1.632 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)NS(=O)(=O)c2ccc(C#N)c(Cl)c2)c1 732503136 ADSXQOQKFBCJQQ-GORDUTHDSA-N 404.835 1.485 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O 735350079 UNXNNWXAJOIBKH-OAHLLOKOSA-N 417.393 1.150 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 742078157 YLZFMAIVQRNTLN-RBUKOAKNSA-N 414.506 1.859 30 10 HDEE COC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1cccc(F)c1 746230152 YZYWEVXFTJHGJS-HLAUDOPJSA-N 403.410 1.190 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CN3CCOC3=O)cc2)cc1C#N 747495260 KZEPVNHGGKTRHC-UHFFFAOYSA-N 408.414 1.774 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)cnc21 750049563 DLHPUUZKPNEWKK-UHFFFAOYSA-N 404.430 1.305 30 10 HDEE C[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 750050443 KJHJOUJJDDLUST-OJRASUONSA-N 422.485 1.194 30 10 HDEE COC(=O)c1c(C2CC2)csc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 753559899 RFTVYPACFLPURU-CYBMUJFWSA-N 402.476 1.549 30 10 HDEE Cc1nn(C)c(C)c1[C@@H](NC(=O)N(CCC#N)CCN1CCOCC1)C(F)(F)F 757887877 VPWURFKWVPSOGI-MRXNPFEDSA-N 416.448 1.898 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 764419807 WIYFJHJBSGULAF-HJPHCXOUSA-N 421.498 1.458 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(Cc2ccccc2Cl)CC1 766486717 GGMPZWKUINRAJJ-VXPUYCOJSA-N 402.882 1.901 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766770068 VDNZWJKOENAJLX-RDJZCZTQSA-N 417.462 1.979 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 771630824 ALTVSYZDLFCKKL-AVRDEDQJSA-N 422.489 1.707 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCCCO3)c2=O)cn1 772329920 LVQMHUDBFJHPCF-QGZVFWFLSA-N 424.526 1.648 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cnn(CC(=O)NC2CCCC2)c1 772550054 VUTVIFAVQCZURO-UHFFFAOYSA-N 415.475 1.073 30 10 HDEE FC(F)(F)c1cnc2c(c1)C(=NNC(=S)NCCN1CCOCC1)CCC2 777420918 NUHAAPUVAMZURV-UHFFFAOYSA-N 401.458 1.937 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)CC1 777753559 ANVLVDNHPTYHKV-NVXWUHKLSA-N 406.527 1.803 30 10 HDEE C[C@@H](CC(=O)N(C)Cc1cnc(N(C)C)nc1)/N=C1/NS(=O)(=O)c2ccccc21 780764556 NUEQPWJWTLWFES-ZDUSSCGKSA-N 416.507 1.018 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 780858541 KZKYJOPPWJLKFK-IBGZPJMESA-N 417.462 1.654 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)n1 788814254 BCNOEBJHCAQTBD-OAHLLOKOSA-N 416.428 1.823 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)n1 788894450 OXNIPDZIDUXZGT-UHFFFAOYSA-N 401.423 1.791 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CCN1C1CC1 793488330 MKGPFRDWOKGWMS-VAMGGRTRSA-N 419.485 1.777 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(C(C)(C)C#N)cc1)c(=O)n2C 796042640 JTRYEDAGLCLBSX-UHFFFAOYSA-N 409.446 1.482 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NC2(CO)Cc3ccccc3C2)C1 798110962 PPILWVKMASWAOF-SJORKVTESA-N 400.479 1.575 30 10 HDEE Cc1cc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)sc1Br 798840056 OVZSZIHHOKPXGZ-ZETCQYMHSA-N 404.271 1.348 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)OCc3ccccc3)n2CCOC)CC1 802424046 CQGUENSQQMJYQE-UHFFFAOYSA-N 412.494 1.106 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)CC1 807921862 AEOLNAGAXQLPNW-UHFFFAOYSA-N 424.910 1.323 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)OCc3cccnc3C#N)CC2)c1 813308653 HGBGIMHXXLTGGV-UHFFFAOYSA-N 414.487 1.457 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H](C)CN2CCCC2=O)C1=O 917700040 BXQSKHXTWLUKON-XJKSGUPXSA-N 413.503 1.637 30 10 HDEE N#Cc1ccc(C(=O)OCc2ccccc2S(=O)(=O)N2CCOCC2)nc1Cl 1128434361 WYPIEUHRDVNCBU-UHFFFAOYSA-N 421.862 1.985 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)co1 1135762700 PSMSUIYYEFGJRE-MRXNPFEDSA-N 406.439 1.381 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1ccnc(C#N)c1 1139857177 ZKJWBNZPEKMSLJ-KRWDZBQOSA-N 411.487 1.867 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(N3CC[C@@H](O)C3)C2)nnc1-c1ccco1 1144918636 INSBCURJPQHYSR-OAHLLOKOSA-N 403.508 1.484 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(Oc2ccccc2C#N)c(F)c1 1148223277 CGZQADWXZFHIJQ-LBPRGKRZSA-N 409.381 1.620 30 10 HDEE C#CCN1CCC(C(=O)N2CCC(C(=O)NCCN(C)Cc3ccccc3)CC2)CC1 1148286466 CLORLGKEUBQJFN-UHFFFAOYSA-N 424.589 1.818 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSCc2cccc(Cl)c2)CC1 1152967430 HGZFVINZTZUCTO-UHFFFAOYSA-N 401.941 1.185 30 10 HDEE COC(=O)c1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1155270978 DJSYCPFFLAHJJA-UHFFFAOYSA-N 416.459 1.003 30 10 HDEE C=CCOC[C@H](NC(=O)/C(=C/c1cccnc1)NC(=O)c1ccccc1)C(=O)OC 1155779419 LXYALPBEOQFLHX-LJLZWOEMSA-N 409.442 1.713 30 10 HDEE CN(CC(=O)NCCC1=CCCCC1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1156647454 RHSHLSXTHBHXEV-UHFFFAOYSA-N 418.519 1.302 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@@H]1CC1CCOCC1 1158447523 HJOBQAOMGBXARF-YJBOKZPZSA-N 421.519 1.269 30 10 HDEE C#CC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 1167534261 BVSOOSMLINQANW-UHFFFAOYSA-N 420.409 1.240 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)ccc1F 1178489961 JIYZXBGZEMGDRV-HNNXBMFYSA-N 411.499 1.809 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)c1 1178597061 AVTMXRZWUPNACJ-UHOSZYNNSA-N 424.519 1.186 30 10 HDEE C=CCCn1cc(CN2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 1180006392 CACWRWNLNZEZGC-INIZCTEOSA-N 406.531 1.707 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NC[C@H]2CCCN(CC#N)C2)n1 1182821825 BXIVKORTFZGRLQ-MRXNPFEDSA-N 404.515 1.763 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(NS(=O)(=O)CCC)c(F)c1 1191582560 FABUQKCTNCLBPS-LRDDRELGSA-N 406.501 1.847 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 1208270748 BCHVGRBICVIVMM-BZSNNMDCSA-N 423.560 1.631 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(CCNC(=O)OC)s1)C(=O)OCC 1213383675 XJINAHSEUNDZSD-GFCCVEGCSA-N 424.928 1.999 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1254315420 CYYROOIPYZYZEP-SOUVJXGZSA-N 400.483 1.689 30 10 HDEE COC(=O)c1cnc([C@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1276628436 SQWRFSNEOAGISI-NSHDSACASA-N 422.488 1.613 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOC1=O 1286281178 FRXPQNHKIAEWTD-OAHLLOKOSA-N 421.465 1.221 30 10 HDEE C=C(C)Cn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286599472 VRFMDPNFGILPLO-APWZRJJASA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccccc1OC)C1CC1 1286785817 JNZKQSDDTIZLNB-KRWDZBQOSA-N 424.505 1.709 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1286966523 ABJAKPAPSDBWGK-NVXWUHKLSA-N 421.567 1.983 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1290861340 RSDDBEHUZWOULS-LSDHHAIUSA-N 401.529 1.081 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@H]1C 1296144967 BQWSRJHGRIPWQN-QGZVFWFLSA-N 423.521 1.206 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)(C)C)CCOC1 1296605628 HZWYALNPRCVMMF-PMACEKPBSA-N 422.505 1.534 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CCC1 1298857480 BCPGEZNQEAKJEE-QGZVFWFLSA-N 406.487 1.693 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1300498316 IYOBTYPTHCBMTP-OAHLLOKOSA-N 402.476 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)NCC=C 1300528436 WJTGDLIYPIRIDM-UHFFFAOYSA-N 400.442 1.975 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1300802151 IRMFTMPBDUJVRY-VQIMIIECSA-N 422.551 1.452 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1300806387 UCMWGEUXEBLVCL-OXQOHEQNSA-N 415.519 1.624 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1300972110 GZNIDARHJHGIFR-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1301152233 WTGMVEUHSILKHT-HZPDHXFCSA-N 421.567 1.594 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCS(=O)(=O)C1)C1CC1 1301312462 CJJOXHYXQJMAAB-OAHLLOKOSA-N 407.540 1.494 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1301506186 HNCNDPQHADCMRP-LJQANCHMSA-N 409.538 1.631 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C(N)=O)nc2)C1 1301555341 VLUWTXAARMCVOL-KRWDZBQOSA-N 419.489 1.972 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1301802634 ABPOPKPCDLZMLK-GOSISDBHSA-N 423.521 1.904 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1302848409 GVDILCZNHAUFSM-HNENSFHCSA-N 410.482 1.429 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(F)(F)CC1 1303097033 ZXDXPIFUPFTLDG-XEVXXXDWSA-N 422.436 1.892 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2C[C@H]3[C@@H](C2)C3(C)C)n1Cc1ccc(C#N)o1 1303828298 UFRUQGIFUFEHCD-DFBGVHRSSA-N 404.496 1.493 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc1OC 1304847002 GFWAXOKVSYUGDJ-OLMWUWOUSA-N 404.463 1.839 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)cc1 1305680402 IMAQLXRTNIDCPW-YCPHGPKFSA-N 402.394 1.560 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CCO1 1309661200 AHWRWCNAZVKXFD-ZDUSSCGKSA-N 405.307 1.585 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1 1312497667 COZRHKNCEYZEDK-UHFFFAOYSA-N 424.519 1.593 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC([C@H](F)C(N)=O)CC2)CC1 1312539566 UETWFQXXPUTFPQ-JCYILVPMSA-N 403.458 1.888 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1313043321 VRXFEZSJGHTADC-LBPRGKRZSA-N 401.345 1.068 30 10 HDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 1313258835 VPXNWUSYOAJRKV-IRXDYDNUSA-N 414.572 1.414 30 10 HDEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C(=O)C4CCC4)n(C)c3=O)cc2)cn1 1326874275 RTCGOHWDJZMANI-UHFFFAOYSA-N 404.495 1.720 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)/C=C\c2ccc(S(C)(=O)=O)o2)[C@H](C#N)C1 1355540917 TWNYDTLZHHYPFA-SCXUMTSISA-N 409.464 1.668 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)CC)C1 1358904686 JOPGQMWOBDHZAB-CVEARBPZSA-N 424.571 1.187 30 10 HDEE C#CCN(c1nnc(C)n1CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358956509 GUZQHEYZFPIYMO-OAHLLOKOSA-N 411.528 1.128 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1358964013 RMJKATOZERVNQP-OAHLLOKOSA-N 406.483 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1358979020 AGWWXTUJHWLVEF-UGKGYDQZSA-N 408.458 1.669 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)CN1CCOCC1 1359021031 ZJBHRMPCUPMLFI-LJQANCHMSA-N 422.533 1.871 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359021929 HGAJEUREDOLIOS-QGZVFWFLSA-N 417.535 1.313 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)c2ccco2)CC1 1359034077 BSFLMZMYRYMLAT-UHFFFAOYSA-N 419.489 1.427 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359040540 ZMPWTFFHJCLNBH-GHDARCQNSA-N 417.554 1.308 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1359292810 YHLQZBBCJTWZTQ-HOTGVXAUSA-N 406.531 1.071 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)CN2CCOCC2)C1 1359318978 QAJOIJMCTSKLNO-MJGOQNOKSA-N 415.542 1.428 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc21 1435870106 NRICBVPQEITCSR-MRXNPFEDSA-N 404.430 1.267 30 10 HDEE C#CC[C@]1(C(=O)Nc2nc3nc(CC)cc(=O)n3[nH]2)CCCN1C(=O)OC(C)(C)C 1438068202 ACSLZHOWXZWSFK-HXUWFJFHSA-N 414.466 1.712 30 10 HDEE C#CCN(C(=O)CCc1ccc(N2CCCS2(=O)=O)cc1)C1CCN(C)CC1 1439604851 QSLDQMSUCVPCPC-UHFFFAOYSA-N 403.548 1.715 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H](CC#N)c1ccccc1)CCS2(=O)=O 1439953555 QMXNVNLBOPDRAP-ASPXRTSYSA-N 404.488 1.699 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC 1462163526 LKFFNDIWJFNCES-MRXNPFEDSA-N 419.503 1.472 30 10 HDEE CS(=O)(=O)C[C@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1463730657 CKFIFSXVUYALCJ-CYBMUJFWSA-N 421.338 1.909 30 10 HDEE Cc1nc(SCC(=O)NCCCn2c(=O)ccn(C)c2=O)c(C#N)c(C)c1C 1467728247 BNFWQWUJGHWGKN-UHFFFAOYSA-N 401.492 1.038 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1467992255 QUAOAPKUQAJNSS-ZIFCJYIRSA-N 410.536 1.377 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1)C(=O)OC 1468874214 WTCMPMLHOOGCJY-OAHLLOKOSA-N 414.430 1.047 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCn3ncc(I)c3C2)cc1 1472033095 WLHMKKDAUKRKEM-UHFFFAOYSA-N 408.199 1.781 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(-c4noc(C(F)F)n4)cc3)C2)c(=O)nc1O 1472371592 ULVIVFBVNSRROD-UHFFFAOYSA-N 414.328 1.505 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(I)cc2)nn1 1475414161 NHAGAFGBZSIVSP-UHFFFAOYSA-N 404.233 1.547 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1)C1CCOCC1 1475515199 PCIMHWZAOVGKLT-HNNXBMFYSA-N 416.293 1.942 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 1475678072 XLMCRPDMTZJHCR-MRXNPFEDSA-N 413.540 1.272 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC2CCN(C(=O)Cc3ccccc3OC)CC2)C1 1477750062 VNEQQRXOTCXVEP-FQEVSTJZSA-N 412.534 1.626 30 10 HDEE CC1CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1494038605 JMADZLSZEHUOMB-CWFNNOHCSA-N 400.483 1.892 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1cnn(C)c1 1504962787 AEOWVONHAXAVMS-BEFAXECRSA-N 405.478 1.810 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@@H]2COCCO2)c1 1505314029 PSABOZVTDLPKOS-ZWKOTPCHSA-N 410.478 1.324 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)C(=O)C3)n2CCOCC(F)F)cc1 1505316055 DTGNONZUSVYBMC-UHFFFAOYSA-N 416.432 1.909 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1507637752 MWZDJRAGIQLUFC-JKSUJKDBSA-N 412.556 1.502 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC2([S@@](C)=O)CC2)CC1 1507734152 SIDLEGAMDRDMBT-OHZJNBGDSA-N 405.568 1.669 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC2(CCOCC2)C1 1507755257 SPPBCNVVWDBLGH-INIZCTEOSA-N 403.552 1.993 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@@H]1C 1507773726 VQBUGBCCWJLERF-IUVQAAGXSA-N 407.540 1.259 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507868266 GXDQKRBMUQXYHC-INIZCTEOSA-N 408.934 1.279 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(OC)CCOC2)C1 1508109278 PWBVUJHMNRIZAO-OXQOHEQNSA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1508142541 DSGBVLLLVIXPQB-UHFFFAOYSA-N 423.583 1.703 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1508164193 ZPHNVJPSQVVEKM-QAPCUYQASA-N 412.581 1.716 30 10 HDEE Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)s1 1511735401 NCCDPVHMGJPBJR-UHFFFAOYSA-N 402.528 1.949 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 1519190365 GKPGRJDDEAICSC-INIZCTEOSA-N 420.473 1.172 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(N)=O)o2)cc1 1525819569 RHCIZHOKFGUFER-AFHPDWHOSA-N 416.459 1.843 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2nccn21 1526017108 HOXMPJMCWMLVFV-RDTXWAMCSA-N 413.503 1.978 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 1526042697 DOQNHLQEDMYRQD-HKUYNNGSSA-N 408.520 1.347 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC[S@](=O)CC(F)(F)F)CC2=O)cc1Cl 1528440977 PIGFYWYBXBQFLD-LUGWNYHVSA-N 421.828 1.992 30 10 HDEE Cn1cc(Br)c(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1=O 1531354751 ONUBSDJDEIOSHQ-UHFFFAOYSA-N 413.235 1.912 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)COc2ccccc2C#N)C1=O 1535800030 LZMLYTTXGFPYAV-INIZCTEOSA-N 401.463 1.776 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cn2nc(C(F)(F)F)c3c2CCOC3)c1 1535905714 QFEIKMUNCFHXRJ-UHFFFAOYSA-N 420.391 1.735 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1539139730 NWAVJXINPJIEDJ-INIZCTEOSA-N 411.462 1.920 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1539216437 RTNMYEZJYIVEKM-PXNSSMCTSA-N 415.519 1.536 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539230827 LHLVUNYYIRYURT-GVDBMIGSSA-N 406.508 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1sc(C)nc1C 1539295778 FYYIFIFLDZXQKQ-CQSZACIVSA-N 420.564 1.473 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCOCC(=C)C)CC1 1539430924 OTQSQSVUOTZGLW-OAQYLSRUSA-N 403.527 1.278 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1539520038 NGGOCVOKMBTRSE-GOSISDBHSA-N 418.611 1.586 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1539562619 BMPBFNFTVJKQQD-HXUWFJFHSA-N 412.519 1.553 30 10 HDEE C=C(C)COCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)C1 1539758727 LUVRDXRPGRMKTD-UHFFFAOYSA-N 401.467 1.395 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC 1540163114 VVJXDDULPPRZMF-UHFFFAOYSA-N 405.480 1.401 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCn1cccn1 1540871032 BUFCKTGWPDUIBZ-SFHVURJKSA-N 423.477 1.426 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccco2)C1 1540895885 BAVCKJDHDAXPAP-JKSUJKDBSA-N 401.467 1.934 30 10 HDEE CC(C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1541690537 GRXYUYKTXZMXCE-GOSISDBHSA-N 421.505 1.925 30 10 HDEE COCCOC1(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCOCC1 1543723013 MXAQUSXZZDRELF-UHFFFAOYSA-N 415.494 1.479 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@@]2(C#N)C[C@H]3CC[C@H]2C3)cc1 1545688529 BYUZAVRJDRVUBB-ABSDTBQOSA-N 404.488 1.721 30 10 HDEE CCOCc1nnc(N(C)C[C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1548090385 WDPYMAKRTWPHRQ-IJYGLTAASA-N 418.498 1.346 30 10 HDEE CN(CCC(F)F)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554255052 LQDSRODNVSARJH-UWENYHRYSA-N 410.425 1.400 30 10 HDEE N#Cc1cn(CCC(=O)N(CCc2ccccn2)Cc2cccnc2)c(=O)nc1O 1556432711 GMOWNSSVCBLPMN-UHFFFAOYSA-N 404.430 1.272 30 10 HDEE C#CC1(O)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1557604620 WDAMZEYVOUFNOG-UHFFFAOYSA-N 415.309 1.056 30 10 HDEE C/C(=C/C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1OC(F)F 1558806708 YRSAELPISLNMPL-WDZFZDKYSA-N 402.357 1.909 30 10 HDEE N#Cc1cnc(NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)c([N+](=O)[O-])c1 1559216991 UVCXGMYSWFCCKW-UHFFFAOYSA-N 401.448 1.704 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(I)cc2)C1 1561913558 YPXPLNLCBAFWBV-CYBMUJFWSA-N 404.273 1.667 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1565113800 VARUYKPIDIRWCH-GOSISDBHSA-N 411.487 1.455 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C(C)C)nn2Cc2ccccc2)C1=O 1585040025 QNFUYDKYLCRRPQ-UHFFFAOYSA-N 409.446 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCCN1CCCO 1587568346 PDRKDYIAKAZHKU-UEXGIBASSA-N 405.543 1.235 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCn2cncn2)c1 1587692255 AXHVBZFVGITDOY-QGZVFWFLSA-N 420.477 1.130 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCCC2)C1 1587705699 GXCPBDATBJRMNZ-MRXNPFEDSA-N 409.556 1.841 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1587842056 JRFMTKMHPQOIIB-KRWDZBQOSA-N 407.478 1.520 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1588035383 SXNDGFPXBWMGEJ-QGZVFWFLSA-N 406.483 1.547 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1588084257 OZEQSBRIIQVFOQ-MRXNPFEDSA-N 415.519 1.156 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1COCCO1 1588205165 FMRJQBRRCJBTDD-GOSISDBHSA-N 408.458 1.595 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(N2CCNC2=O)CC1 1589567157 AWEIFDNMEJUAHL-VQIMIIECSA-N 418.542 1.790 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)=O)CC1 1594497329 FQFGEKFJLPVFTC-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1594784031 OTKKHAVDHCNQPO-KFWWJZLASA-N 401.533 1.095 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1594830638 ZQBIOGABZUOZBK-CQSZACIVSA-N 416.448 1.399 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)NC 1595116074 OKAMFAFKCZAIBL-UHFFFAOYSA-N 415.523 1.420 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCC(C)CC1 1595297860 ZDGVCNMKXOCIAW-ROUUACIJSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1595537695 WJJSZXANOQADNC-AEFFLSMTSA-N 402.543 1.395 30 10 HDEE CN(CCC1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1)C(=O)OC(C)(C)C 1596342705 CDGNGPUQJGAALR-UHFFFAOYSA-N 419.482 1.316 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1597958683 FTDZNJTYBCPAGJ-KBPBESRZSA-N 402.517 1.114 30 10 HDEE CC(C)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1598558789 JQPKPGDNGMPZNY-ZJYNUGOYSA-N 424.509 1.655 30 10 HDEE C[C@@](CO)(NCCS(=O)(=O)c1ccc(C#N)cn1)c1cccc(Br)c1 1620650654 FUFZZNWDIXNGKW-KRWDZBQOSA-N 424.320 1.987 30 10 HDEE CN(C)c1ncc(Br)c(C(=O)N2CCN(c3ncccc3C#N)CC2)n1 1624728459 RFBHFHJIVUQSBS-UHFFFAOYSA-N 416.283 1.534 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1 1624827223 RUDYXBXHIKHVCB-KRWDZBQOSA-N 424.457 1.571 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOC3CCOCC3)CC2)cc1 1626595008 QAQBPSQOQCLORU-UHFFFAOYSA-N 421.519 1.271 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cnc3Cl)C[C@H]1CS(=O)(=O)C2 1627136198 AYDUWGYXWZPLDY-ISVAXAHUSA-N 404.673 1.508 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@H](F)C(F)(F)F)cc2)CC1 1627207002 ZTZNXPWEZUCNOX-CQSZACIVSA-N 422.404 1.877 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 1627485276 JMTXCCYUXQOKPP-LJQANCHMSA-N 417.531 1.038 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1627843404 RCWWBPYDQOLOBA-UHFFFAOYSA-N 405.505 1.369 30 10 HDEE C#CCN(CC(=O)NCCN1CCN(c2ccc(F)cc2)CC1)C(=O)OC(C)(C)C 1629778122 UOIOAOARSUQXMO-UHFFFAOYSA-N 418.513 1.934 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2nc[nH]c2[C@H]1c1ccnn1C 1631078761 JQDYWVKUXLUUHD-CRAIPNDOSA-N 412.494 1.924 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 1631784617 SZFPFGHLJCKGDX-CEXWTWQISA-N 406.571 1.778 30 10 HDEE N#Cc1cn(CC(=O)NCc2cccc(NC(=O)c3ccccc3)c2)c(=O)nc1O 1631853226 GMFSEFVETSDYOC-UHFFFAOYSA-N 403.398 1.389 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 1636471041 HOXSQBDISWWOAI-KDOFPFPSSA-N 415.519 1.611 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1 1637667811 LLLTVQNUFNHUIX-AWEZNQCLSA-N 414.443 1.437 30 10 HDEE Cc1nnc2n1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)[C@@H]2C 1637891953 PNUZCLGAZXAQKX-GFCCVEGCSA-N 402.480 1.009 30 10 HDEE N#Cc1c[nH]nc1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1638655991 BGGIRXRPEBPNSB-GFCCVEGCSA-N 409.855 1.644 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCOC[C@@H]1OCCOC 1638862991 HFPWGEODVUHQSC-ILXRZTDVSA-N 406.907 1.959 30 10 HDEE CCn1cc(CNC(=O)N2CCN(c3cccc(F)c3C#N)CC2)c(O)nc1=O 1639113423 GBINYYQPIHSADQ-UHFFFAOYSA-N 400.414 1.011 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCO[C@H]1CC1(F)F 1641000922 GFIGWHDMGVOYIA-ZFWWWQNUSA-N 415.462 1.824 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](Cn2cc(C#N)c(I)n2)C1 1641226180 PMWCRAPAEDUEJY-LLVKDONJSA-N 418.235 1.995 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)NCC)sc2C)cc1 1641712561 JTMJYKUVQYHUFW-UHFFFAOYSA-N 405.501 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@H](O)CC3(C#N)CC3)CC2)CC1 1643888753 IRMWGSAVJMBVJM-QGZVFWFLSA-N 421.542 1.331 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)c2cnccn2)cc1B1OC(C)(C)C(C)(C)O1 1644092304 SVLLPRDENQMNJM-UHFFFAOYSA-N 410.283 1.244 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)cc1 1644264749 HZZBOLLFHJSCSO-ZFWWWQNUSA-N 404.410 1.828 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1648010912 CWBFJEKRIXIKKL-ZRGWGRIASA-N 413.540 1.162 30 10 HDEE C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155640 LCJOJUIRVZJNRT-XTDOFWJNSA-N 411.524 1.419 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2cc(OC)cc(OC)c2)cc1 1648925989 SIGPDOKLZCDSGC-UHFFFAOYSA-N 402.472 1.588 30 10 HDEE C#CCC1(O)CCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1650951830 SOSUYJJJNKDWJM-NRFANRHFSA-N 405.495 1.909 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)s1 1651543729 WMLSLNKZMUITGR-SFHVURJKSA-N 418.500 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCN(c3ccc(C#N)cn3)CC2)C1 1653202214 BIJHGHMTBBZJSC-NRFANRHFSA-N 401.511 1.837 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1653844165 APLGAXWARKTCQP-CQSZACIVSA-N 406.501 1.003 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 1654025421 JBXCRIYPKGFMSD-UHFFFAOYSA-N 419.334 1.407 30 10 HDEE CS(=O)(=O)NC1CC(NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1658735871 FEXFZCXXVAEGBQ-UHFFFAOYSA-N 401.448 1.947 30 10 HDEE CCOC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)[C@@H](O)c1ccc(Cl)cc1 1663201647 BMTLWBMAYXMQIH-HOTGVXAUSA-N 409.851 1.550 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)ccc2C(=O)OC)C1 1664135606 PDFLQPCARYVPIP-CYBMUJFWSA-N 415.309 1.612 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 1664330233 MCWNCKMOQQEUPU-INIZCTEOSA-N 406.504 1.917 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCCC)cc2)CCOCC1 1664330472 RUFZQUIWTGFPOV-UHFFFAOYSA-N 402.538 1.779 30 10 HDEE C#CC1(F)CN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)C1 1665154076 KRAVOWKSPKVVAD-UHFFFAOYSA-N 411.455 1.295 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1 1666232354 AJANQHOCHDTWRO-UHFFFAOYSA-N 402.270 1.733 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CC1 1671283442 VPVDPHJKKIMHFA-HDJSIYSDSA-N 400.522 1.927 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1671634498 FDZSWQVDBSQXSC-UHFFFAOYSA-N 416.565 1.809 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)nn1 1673902112 MGSUHEIAQKIGEE-IBGZPJMESA-N 400.483 1.345 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1684424811 GJXWBFHGRBHRGC-QGZVFWFLSA-N 403.479 1.600 30 10 HDEE C#CCN(C(=O)NCC[C@H]1CC(=O)N(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1685240636 MAYUWZSAGOHAQU-INIZCTEOSA-N 406.527 1.899 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COc1cccc(OC)c1 1686264217 IMUHOFMOESTPKT-SBUWESJJSA-N 400.475 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1689856863 WWGXSFMXYSJXGG-INIZCTEOSA-N 424.530 1.612 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cccc(C(=O)NCC)c1 1689948260 UKRAWGDVWUTXHD-QFIPXVFZSA-N 411.506 1.798 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689996970 SIOPZFOITKMSFW-ZACQAIPSSA-N 410.540 1.256 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1690003729 VXDIYILVZLLHJW-JTSKRJEESA-N 413.522 1.306 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690496368 OVNJZIUJIFOPNU-OXQOHEQNSA-N 404.515 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690719041 GEMNWZFGDZSZGK-LJQANCHMSA-N 421.523 1.410 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1690731593 NCOCZUUZSOBDNR-IRXDYDNUSA-N 421.567 1.818 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1C 1690749512 GJVOMSUCPLHVIH-UHFFFAOYSA-N 403.556 1.998 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1690997049 BXXVFAOLXSCYKB-CQSZACIVSA-N 401.496 1.352 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1693744817 FNANDYUVPIADLT-CQSZACIVSA-N 401.430 1.997 30 10 HDEE CN1CCN(CCn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1(C)C 1696883953 MAFVIROBCOLIMC-GOSISDBHSA-N 401.559 1.896 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705514394 UYUOJHJCXPLIOV-UHFFFAOYSA-N 407.522 1.544 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCC[C@@H]1NC(=O)NC1=O 1705585486 TXPBBXXNZMHSFR-SFHVURJKSA-N 404.474 1.124 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)COC 1705611158 RUJXEDZLMWSHOU-OAHLLOKOSA-N 404.540 1.980 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1705612175 BHVOECIUGTWHIN-SFHVURJKSA-N 424.530 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCCC1 1705626495 YHHXTVPVWINRNH-UHFFFAOYSA-N 420.539 1.122 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCN2CCOC2=O)CC1 1705641492 HXYFDCNRFDZMER-UHFFFAOYSA-N 414.535 1.528 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](CC)C1 1705730171 GPDISCGFJQQBEO-CABCVRRESA-N 401.533 1.096 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CCN(C(C)C)CC2)CC1 1705762355 WBPSLGQNECCLHH-UHFFFAOYSA-N 416.570 1.906 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC)C1CC1 1705851098 USCIIWXEOWPBLR-UHFFFAOYSA-N 419.507 1.420 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1705890478 RRCZRDGVFXBOSI-QZTJIDSGSA-N 402.543 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1705934605 QWKONNNCGVBVTK-CYBMUJFWSA-N 404.558 1.016 30 10 HDEE CC(C)(C)Cc1nnc(N2CCSCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1706145355 AZAPKRKMIXKOLR-WUKNDPDISA-N 404.540 1.946 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1708075981 YETVBPWUTVRJSI-HYLQGWQCSA-N 414.510 1.935 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(CC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709015620 DRRJZDYHZMGGIH-UHFFFAOYSA-N 422.493 1.728 30 10 HDEE CCc1nnc(N2CC[C@H](OCC(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709096835 AOIPTVSQGFSCAL-IJYGLTAASA-N 402.499 1.618 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1722280613 WTMHLEMODCDADM-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722322576 UQQAGWXORDTPOF-MRXNPFEDSA-N 422.493 1.379 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC2(CCOCC2)C1 1722333886 ZTXZWNVOXSZFHQ-MRXNPFEDSA-N 424.592 1.696 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@H]1OC 1722380650 TYZUUXKDBUHKRK-MAUKXSAKSA-N 411.462 1.130 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(Cl)s2)CC1 1722437707 WATLOBKGOXPZNH-AWEZNQCLSA-N 404.927 1.748 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)[C@@H]1CC 1722492335 BAWRQZSEKOKBCK-ULQDDVLXSA-N 416.526 1.210 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1(N2CCOCC2)CC1 1722681626 ORBNVLXZNMFEGU-SFHVURJKSA-N 405.543 1.676 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722696837 SWVJBBOAAMPNDX-AWEZNQCLSA-N 423.514 1.646 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1740610333 XHFBHQVCRATURZ-KRWDZBQOSA-N 424.553 1.826 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNC(=O)c1cc[nH]n1 1740675935 ZANYPJFZKOPUJG-NVXWUHKLSA-N 413.526 1.809 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(F)cc2)CC1 1740689332 BAJDSNTZDSXNTB-UHFFFAOYSA-N 419.464 1.868 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(=O)NC)C1 1740719171 AOFIACSBXGIKBW-FQEVSTJZSA-N 415.567 1.469 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1740787330 GVUGKBYUDHXGNO-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1740826938 CPHAVLMEGZMHAG-QGZVFWFLSA-N 416.551 1.702 30 10 HDEE C=CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OC(C)C)CCOC1 1740882021 XNTRSTHNZGZYSW-LZJOCLMNSA-N 422.526 1.645 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740954009 ZBJCLMHTCCKDGR-QZTJIDSGSA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCCC2)CC1 1740964897 AMFVSOHSXXYZSM-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1C1CCC1 1740985332 FQDGUHBNPFINLT-QGZVFWFLSA-N 421.567 1.884 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1741114687 XZVGANRZEOFCOW-CQSZACIVSA-N 418.523 1.212 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)F 1741134594 DUTATEIVTMURQG-GFCCVEGCSA-N 410.400 1.973 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1c(C)nn(C)c1C 1744756012 HGGONZUFMWMBFS-IBGZPJMESA-N 418.505 1.930 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)COCC 1748892729 WCUBPAUXAZEZEG-KRWDZBQOSA-N 406.552 1.706 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1748994517 JIANHHLUDDXWPW-XMMPIXPASA-N 420.561 1.687 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OCC)CCOC1 1749284217 HTHXQZFMRAVQJY-QMTMVMCOSA-N 409.918 1.740 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@]1(O)CCN(C)C1 1749536801 YDHQFDCGSPZRQL-QFIPXVFZSA-N 410.522 1.945 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749650781 HEUDZLDEYFDWJA-SJORKVTESA-N 417.558 1.676 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1749725677 UJXRSDCXKFDVOK-UHFFFAOYSA-N 414.535 1.381 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1749738420 MMYFWKSUCMPWSB-IRXDYDNUSA-N 410.540 1.216 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1 1751300233 KOHCIHWYTVPVBL-OXJNMPFZSA-N 406.506 1.725 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CCC2)n1 1751623070 CMCIFNYCGFBHJR-HNNXBMFYSA-N 416.507 1.345 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1CCCS(C)(=O)=O 1760207496 LOPTUBYLXAFFHD-UHFFFAOYSA-N 414.531 1.981 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@](C)(O)C2CC2)CC1 1760257169 QHPIJUJMAWVRPW-YADHBBJMSA-N 417.554 1.235 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccn1 1760288570 GMVOJRIQEQASNO-HNAYVOBHSA-N 402.524 1.518 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(CO)c2)CC1 1760389401 KAPXLDUQBAUGIM-GOSISDBHSA-N 402.520 1.877 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1760527264 QKFTWRWYCPGBKJ-SJORKVTESA-N 411.462 1.480 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCCC[C@H]1C 1761238872 XTHODXHLIOBDDK-MSOLQXFVSA-N 417.558 1.800 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C2CC2)CCOC1 1761283093 HZTGTTYQFVGREK-PMACEKPBSA-N 420.489 1.287 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cc1 1761708999 DZESOWQBQOVBNH-OALUTQOASA-N 424.505 1.987 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1764765135 HXMIPYNODTYTLY-CRAIPNDOSA-N 416.551 1.780 30 10 HDEE CNC(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1767806674 WMQRRYCKKJOPGA-SJORKVTESA-N 402.462 1.615 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)C#N)CC1=O 1769878739 ALVZXWLWCSOPJL-NVXWUHKLSA-N 411.510 1.739 30 10 HDEE COC(=O)C1CCN(C(=O)c2oc3c(c2C)C(=NNC(=N)N)CC(C)(C)C3)CC1 1772729430 NWYCJYANVPPATL-UHFFFAOYSA-N 403.483 1.773 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)ON3C(=O)c4ccccc4C3=O)C2=O)cc1 1772791724 XVCNDFRVFAYRDM-OAQYLSRUSA-N 423.381 1.217 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)CC1 1848866026 HRELFWFLQPJCMS-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE C=CCN1C[C@H](C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)CC1=O 1850258052 UQRQNFDMHBVBMX-QGZVFWFLSA-N 423.517 1.143 30 10 HDEE Cc1ccc(-n2cc(C(=O)N3CCC(NC(=O)c4ccnc(C#N)c4)CC3)nn2)cc1 1850683879 NMCHDRSRCOJFIY-UHFFFAOYSA-N 415.457 1.877 30 10 HDEE N#Cc1cc(C(=O)N2CCN(C(=O)c3cncc(Br)c3)CC2)ccn1 1851167164 FDYCDYVOAXHRSL-UHFFFAOYSA-N 400.236 1.709 30 10 HDEE CN(C)C=NC(=S)N(C(=O)CCC(=O)N1CCN(C)CC1)c1ccccc1F 1851251971 XNVQUWZVOPQWNQ-UHFFFAOYSA-N 407.515 1.588 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@@H]3CCS(=O)(=O)C3)C(C)(C)C2=O)cc1C#N 1854390736 DDGRCFMSEMXDBH-HNNXBMFYSA-N 403.504 1.364 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854551720 LEIQQCCYTYZALE-ZBFHGGJFSA-N 417.487 1.021 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625976 DINXRZQISKYGFI-HOCLYGCPSA-N 405.476 1.265 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cccn1 1855447819 MMBLEBRRFJQBQF-OXJNMPFZSA-N 407.474 1.987 30 10 HDEE Cc1cnn(C)c1C(=O)N1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855457529 JNXPUMMHTBFGKS-LJQANCHMSA-N 407.474 1.885 30 10 HDEE C=CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)C1 1855545424 DUQLRWDGJLKTOO-UHFFFAOYSA-N 423.510 1.473 30 10 HDEE CON(C)C(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855867623 QKZXTRXVMNZPHI-OAHLLOKOSA-N 413.478 1.064 30 10 HDEE Cc1ccn2cc(C(=O)N3CCN(CCOc4ccc(C#N)cc4)CC3=O)nc2c1 1856292246 VEOYNRCWGANEOE-UHFFFAOYSA-N 403.442 1.878 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCCC3)cc1F 1856313240 KHRIBZXZMFKYAF-UHFFFAOYSA-N 423.466 1.810 30 10 HDEE CN(C)c1ccc(C(=O)N2C(=O)CCN(S(=O)(=O)CC#N)c3ccccc32)cc1 1856892089 KOXZTRMWTJWTPZ-UHFFFAOYSA-N 412.471 1.989 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(CCC)cc3)C2)CC1=O 1856901549 DMVNTFDVESOCRE-SJORKVTESA-N 422.503 1.521 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H](COC)[C@@H](C)C3)ccc21 1856935774 LOAZNYQFGOUNKQ-HOCLYGCPSA-N 406.504 1.972 30 10 HDEE COC(=O)N1CCC[C@H](C(=O)N2C[C@@H](CN3CCC(CC#N)CC3)CCC2=O)C1 1856959907 FKWPCMOXMJULSL-MSOLQXFVSA-N 404.511 1.856 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](n4cnc5c4CCCC5)C3)C2=O)ccn1 1857375275 VJQSJDWSYUXJKD-PXNSSMCTSA-N 404.474 1.717 30 10 HDEE CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2C#N)N2CCOCC2)cc1 1858075038 ZPDGJWKXFONNLX-HXUWFJFHSA-N 414.531 1.976 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(F)(F)F)C1 1858394045 PTOJYMSLNDBOMI-UKRRQHHQSA-N 408.380 1.899 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1861603672 HSZYORKPCAUNFI-CTNGQTDRSA-N 421.497 1.770 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862741331 PGJTUZNCLKHIFG-MRXNPFEDSA-N 400.343 1.577 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)cc1OC 1870152280 KFMDGHPKEHNIRB-UHFFFAOYSA-N 406.402 1.525 30 10 HDEE C=CCn1cc(OCC(=O)NCCCO)c(=O)cc1CNc1ccc2[nH]ncc2c1 1871260687 VNFYZJZFMSDWRK-UHFFFAOYSA-N 411.462 1.400 30 10 HDEE COc1ccc(OCCN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873527918 XVDLUGAWNOMYDD-UHFFFAOYSA-N 416.503 1.753 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1ccccn1 1874470662 LOTGJDFQNKYSOM-VXLYETTFSA-N 403.493 1.932 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1891621810 ZARZJUMVYYYECK-QGZVFWFLSA-N 410.923 1.991 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC(COc3cccnc3C#N)C2)cc1 1891845144 ZLSVEDXQRPDRQE-UHFFFAOYSA-N 400.460 1.355 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3C(B4OC(C)(C)C(C)(C)O4)[C@@H]3C2)CC(O)C1 2018047348 NLKRVGHXALQOJE-NKRRBHNESA-N 422.331 1.955 30 10 HDEE COC1(C#N)CCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108229365 DSJMBLGUGPZBTE-SFHVURJKSA-N 423.466 1.345 30 10 HDEE CN(CCn1cncn1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116141495 AHSJVLYSZWJLIC-UHFFFAOYSA-N 408.109 1.871 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)S(=O)(=O)c1ccc(C#N)cc1Cl 2118163833 TXLBHWZRALLXLV-UHFFFAOYSA-N 403.888 1.719 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2243388152 GZYZOLXGZAYPNQ-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C#CB1OC(C)(C)C(C)(C)O1 2243430969 ZSNZFKMTZBNHCW-OAHLLOKOSA-N 408.304 1.716 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)[C@@H]2C[C@H]21 2247827024 DDSDNLSDKHOGJK-ZIAGYGMSSA-N 418.303 1.543 30 10 HDEE CN(CCCNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247915400 AXRGGRAJMJJEIA-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE C#CCCN(CCC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258134526 NGJIFOMAIUPSRR-KRWDZBQOSA-N 410.492 1.520 30 10 HDEE C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703818 BYOQRSPVQMLASQ-ONGXEEELSA-N 407.750 1.845 30 10 HDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270538771 IXDKDOHFNFJANF-MSOLQXFVSA-N 422.503 1.677 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2281796755 XXXYHJIDYQXWFX-MNOVXSKESA-N 400.331 1.138 30 10 HDEE C[C@@H]1CNCC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282337251 FUKCGYHRWIMYBL-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCC[C@H]1O 2282337907 KHKIICCDYZRQPT-SGMGOOAPSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2CCCCN2)OC1(C)C 2282496697 GDWGGPNSEOWYGH-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282501730 AZIUDCLEZOFQHP-FRRDWIJNSA-N 400.375 1.807 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282503312 YGEYMXYYNHLXQB-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](F)C2CNC2)OC1(C)C 2282506313 QLABBFXRUNZZAU-ZDUSSCGKSA-N 404.338 1.024 30 10 HDEE Cn1nc(C(=O)NCCCC[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282551147 HNSVVXVTOGZPFP-SANMLTNESA-N 403.741 1.261 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCC[C@@H]2CS(C)(=O)=O)OC1(C)C 2282624086 KAQGNUWJCDMGOB-LLVKDONJSA-N 400.331 1.092 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282853431 CSTCXCAIFZOCLU-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CN(C[C@@H]1CCSC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856759 XQALNLWOXRHRAG-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@H]1N 2282866739 OHAVYRWIUYQZDM-IAQYHMDHSA-N 400.737 1.607 30 10 HDEE C/C=C/C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400683 BOCYMKNQWHWBIB-MLRMMBSGSA-N 401.315 1.745 30 10 HDEE CC[C@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288911636 LROQDTDBKRYCRL-STQMWFEESA-N 401.359 1.890 30 10 HDEE N#CC1([C@@H](O)c2sc(Cl)cc2I)CS(=O)(=O)C1 2302280830 VTTHNVCYQCHTJL-QMMMGPOBSA-N 403.650 1.978 30 10 HDEE COCC[C@@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365192438 CIDHWUPVJKAUOP-BEFAXECRSA-N 403.541 1.838 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 2365201293 HGSWEOCFZGXBNN-HOTGVXAUSA-N 402.557 1.409 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 2365207223 MHMJBUCHQOTKHN-HOTGVXAUSA-N 403.589 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367817286 RRYHHXYUJZUNQZ-RKVPGOIHSA-N 400.541 1.435 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCCC(=O)NCc1ccco1 20915479 KXCRVEGTJLSUTD-KEBDBYFISA-N 401.452 1.535 30 10 HDEE C#CCNC(=O)[C@H](C)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 26140471 WHECYRDSHVLRPZ-ZDUSSCGKSA-N 403.426 1.150 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1C 90744018 RJPPJVSBLLHQFW-UHFFFAOYSA-N 402.472 1.853 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cn2cncn2)c2ccccc2)c1 110922462 OBSAPMSOAOQRTN-IBGZPJMESA-N 411.487 1.914 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(=O)c3c([nH]2)NC(=O)[C@@H](C#N)[C@H]3c2ccncc2)C1 203567900 SFHUHBYFXKFXFN-QLFBSQMISA-N 422.445 1.168 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254391840 ZKZHDSBLWYBIHH-HUUCEWRRSA-N 424.500 1.746 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 434058568 UUGTYRDCVGMRED-NJZAAPMLSA-N 419.425 1.387 30 10 HDEE CN1C(=O)c2ccc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2C1=O 460768881 MBRAEMLMYRRLFV-UHFFFAOYSA-N 408.399 1.166 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCn2nc(O)c3ccccc3c2=O)cn1 461317755 JSABRBYRCOCJHD-UHFFFAOYSA-N 401.386 1.583 30 10 HDEE Cc1ccc(C(=O)NCc2nnc(C3CCC3)n2C)cc1S(=O)(=O)NCC#N 461490501 ZMKWLXRFLYOMMC-UHFFFAOYSA-N 402.480 1.123 30 10 HDEE C=CCCN(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 468182839 KZGXGHKAASNPOK-UHFFFAOYSA-N 403.298 1.837 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC[C@@H]3CC(N)=O)CC2)cc1 497314643 SECVDJHOIPISGM-QGZVFWFLSA-N 418.519 1.215 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 505190370 LUKJKDARQXUYKR-UHFFFAOYSA-N 414.462 1.015 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCC(C)(C#N)CC2)c1 507826238 BVYTZXMGTYXPSH-UHFFFAOYSA-N 420.535 1.539 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508475047 XRJNESDHFXTIHZ-JOCHJYFZSA-N 419.489 1.485 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(CC)c2)CC1 508814661 VQAMFDNNWDXYFP-AWEZNQCLSA-N 407.544 1.675 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 509001059 VMSQGAXGEJYROE-MSOLQXFVSA-N 418.542 1.075 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(Cc3ccccc3)[C@H](C#N)C1)C2=O 510117735 RISRDDLEXWGDGV-ZUZNIGHFSA-N 423.517 1.724 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 534494687 SMCYZDTVXNEOSY-CABCVRRESA-N 424.486 1.683 30 10 HDEE CCC(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 540549382 MEJCAPVARAICCO-VQTJNVASSA-N 415.513 1.525 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ncn(C2CCCCC2)n1 543301008 OQIQEXWIQMILFO-CYBMUJFWSA-N 402.480 1.960 30 10 HDEE N#Cc1cc(S(=O)(=O)N(CC(=O)O)Cc2ccc3c(c2)OCCO3)ccc1F 547908365 XNTQYZDGAOWQQC-UHFFFAOYSA-N 406.391 1.744 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)[C@H](OC)C1 549645730 YXBGNBFSFHLKLW-OAGGEKHMSA-N 413.544 1.048 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 549678965 OMUPJCAIRMHPPO-AWEZNQCLSA-N 415.585 1.519 30 10 HDEE C=CC[C@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 561289861 OOUPPZPIQCPFCP-GFCCVEGCSA-N 403.220 1.466 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NS(=O)(=O)c1ccc(F)c(C#N)c1 577532154 AFGPZGWKNNQTQG-ZDUSSCGKSA-N 411.480 1.733 30 10 HDEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 585227270 XDNYGCZZPSTKRW-UHFFFAOYSA-N 402.436 1.451 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC2(C1)Oc1ccccc1O2 589061626 DEKWSBGLJZUILQ-AWEZNQCLSA-N 413.455 1.625 30 10 HDEE CC(C)[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1CCCCC1 609160675 ZRAHTBRQLPFYKL-FQEVSTJZSA-N 418.563 1.902 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c(F)c1 609255766 KXPWMIYLKTXUFG-UHFFFAOYSA-N 416.434 1.393 30 10 HDEE COc1ccc(CN2CCN([C@@H](C(N)=O)c3ccc(C#N)cc3)CC2)c(OC)c1OC 609671806 QNRMURVWXKJYOO-HXUWFJFHSA-N 424.501 1.928 30 10 HDEE COc1ccc(F)c(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 610679043 KHUHVLFPMSIPDU-UHFFFAOYSA-N 413.409 1.859 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 611552143 QGPLAEYABZGADC-HNAYVOBHSA-N 401.486 1.133 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)c1 614902958 PEVCLCXXRATZAW-KRWDZBQOSA-N 412.511 1.826 30 10 HDEE CCOc1ccc(OCCNC(=O)CN2CCN(c3ncccc3C#N)CC2)cc1 619510242 LMWJVKRLJIVUHM-UHFFFAOYSA-N 409.490 1.669 30 10 HDEE C=C(C)[C@@H](CO)N1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 678049321 HPWILZLNXPRVCL-QGZVFWFLSA-N 417.369 1.777 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCNCC3)c(C(F)(F)F)c2)OC1(C)C 725410397 GJTWLUNTCDHVGF-UHFFFAOYSA-N 420.262 1.599 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cn2c(-c3cscn3)nc3ccccc32)CC1 728532708 HSPGSSNFLPMUSI-UHFFFAOYSA-N 422.514 1.053 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2Cc2cocn2)cn1 730724869 TXDNLQFCMWTUPN-HNNXBMFYSA-N 419.511 1.091 30 10 HDEE CCN(Cc1ccc(OC)cc1OC)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465161 DAEFTSNLJGYKQQ-HNENSFHCSA-N 402.451 1.762 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)CCN1C1CC1 732706746 NMMBRYLIVUWWBP-OAHLLOKOSA-N 403.433 1.702 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@H](C)O2 736329075 CWURVRCFPBLRCQ-WCQYABFASA-N 403.909 1.474 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(Br)c1 742278976 OWLPWFCJPUTOCE-LBPRGKRZSA-N 406.323 1.569 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1cccc(F)c1 746230153 YZYWEVXFTJHGJS-IWHJNQCMSA-N 403.410 1.190 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F 746402926 HVUMIPRQVJXUIU-GFCCVEGCSA-N 416.883 1.838 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1ccc(-n2cc(Br)cn2)nn1 749355711 UFWDLGUDSOAEOZ-UHFFFAOYSA-N 413.239 1.533 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(C#N)s3)ncnc1-2 749380023 GIUXAKUTIFNLRM-UHFFFAOYSA-N 406.269 1.274 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 751727917 BHNWYCXLSACGKP-OAQYLSRUSA-N 423.429 1.028 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)N(C)C)[C@@H]1CCOc2ccc(Br)cc21 752366799 ORCJZGVCUXBXEH-CQSZACIVSA-N 415.309 1.626 30 10 HDEE COC(=O)c1cc2c(cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)OCO2 753845250 YWGKOSBTKHJMRG-UHFFFAOYSA-N 411.370 1.337 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2c(F)cccc2F)C1 756021776 CKPKFKFBZQNVKJ-MHMQGTJDSA-N 405.405 1.369 30 10 HDEE C[C@H](CC(=O)NCCc1cnc(C2CC2)nc1)/N=C1/NS(=O)(=O)c2ccccc21 756086024 ZYNYBLAVWROZKN-CYBMUJFWSA-N 413.503 1.530 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2COc3ccccc3O2)C1 758311179 VAJQEOLYAWBDOH-SOUVJXGZSA-N 402.451 1.885 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2F)C1 760300895 KNTIHKDLXMOMOX-DOMZBBRYSA-N 421.498 1.697 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCOC[C@@H]1CCO 769049114 VQJXEPHINVVFST-ZDUSSCGKSA-N 413.268 1.708 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)OC2CCN(CC#N)CC2)C1 770781641 CDQFVARZVDEVBC-HNNXBMFYSA-N 410.496 1.223 30 10 HDEE C#CCN(C(=O)NC[C@H](Cc1ccccc1)N(CC)CC)[C@H]1CCS(=O)(=O)C1 774171521 PPDPQFYPEMYQNB-PMACEKPBSA-N 405.564 1.771 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 774187203 DUSLNUNGBDFVBF-IRXDYDNUSA-N 405.520 1.353 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccccc1)C(C)(C)C(=O)OC)[C@H]1CCS(=O)(=O)C1 774248883 BOKSXMDIAUZOJR-IRXDYDNUSA-N 406.504 1.759 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@H]1CCCCO1 783955564 HVAGBQSUUCMOKE-MRXNPFEDSA-N 423.523 1.753 30 10 HDEE Cc1cc(N(CCC#N)C(=O)COC(=O)[C@@H](O)Cc2cnn(C)c2)ccc1Cl 786859893 HEJVXZHQNOFKIP-KRWDZBQOSA-N 404.854 1.775 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)n1 788628723 YWZXPUMLMUEIEF-UHFFFAOYSA-N 413.478 1.907 30 10 HDEE Cc1ccccc1CN1CCC(NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)CC1 798743825 DVTXKZQZGZLHKX-MRXNPFEDSA-N 410.478 1.343 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 800777488 PIMNVUZLRYBJQK-KRWDZBQOSA-N 400.439 1.787 30 10 HDEE N#Cc1ccc(NCCNC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)nc1 800997335 KIKNCKJRFHDVDU-KRWDZBQOSA-N 408.462 1.344 30 10 HDEE Cn1nncc1C(=O)COC(=O)CSc1nc(O)cc(C(F)(F)F)c1C#N 803237901 PEOBZJOQTRJYND-UHFFFAOYSA-N 401.326 1.324 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCc2cnn(C)n2)cc1 806222326 JAYLTTBBJDCOKE-HAVVHWLPSA-N 419.511 1.730 30 10 HDEE C[C@@]1(c2ccc(F)cc2)CC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 811732077 XSTJOBRXQONRQE-QFIPXVFZSA-N 407.449 1.889 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCC(=O)c3cn(CCC#N)c4ccccc34)cnc21 826041657 MRXCQVTUURMVHU-UHFFFAOYSA-N 418.413 1.424 30 10 HDEE CN1C(C(=O)N=C2CC(=O)N(c3ccccc3)N2)=C(O)c2ccccc2S1(=O)=O 1088721901 VGKMBGVDVNOZJH-UHFFFAOYSA-N 412.427 1.414 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)Cc2ccc(C#N)nc2)CC1 1126236060 AAKKCTCTPAACIV-UHFFFAOYSA-N 404.414 1.311 30 10 HDEE C[C@@H](C#N)N(C)C(=O)c1ccc(Br)c(S(=O)(=O)N2CCOCC2)c1 1129308325 CMKCMBUASSIAQN-NSHDSACASA-N 416.297 1.454 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1c2c(nn1C)CCS(=O)(=O)C2 1129389465 HLJXPMLMKWSBGS-UHFFFAOYSA-N 402.476 1.051 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnc4cc(O)ccc4c3)CC2)cc1 1136149255 CVDNNIHLGPQNGX-UHFFFAOYSA-N 422.466 1.959 30 10 HDEE C=CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1136358651 ZCJUAVNOLNPFES-KRWDZBQOSA-N 410.536 1.839 30 10 HDEE N#CCCN(Cc1ccccn1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1136680716 RIHBNUQVLXMEGM-AWEZNQCLSA-N 404.517 1.925 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCC[C@]12NC(=O)NC2=O 1136977745 PSQOIJZLWFAOJK-QGHHPUGFSA-N 421.251 1.194 30 10 HDEE C=C[C@@H](COC)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1138582424 CPAGVTFFMMESTC-ZWKOTPCHSA-N 424.563 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2cc(=O)n3ccccc3n2)CC1 1144575774 SJYDSKNXJINABB-UHFFFAOYSA-N 410.474 1.961 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C(=O)OC)CCC3)c1 1149138913 VAIAIFSAXKDFRQ-UHFFFAOYSA-N 401.444 1.665 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(NS(C)(=O)=O)cc(C(F)(F)F)c2)nn1 1162480857 VDRCACNGRGGRRN-UHFFFAOYSA-N 403.386 1.784 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CC[C@H](C#N)C2)c1 1162679203 HCXOVBLOGACPIQ-GOEBONIOSA-N 406.508 1.255 30 10 HDEE COc1ccc(C(=O)N2CCN(CCC#N)CC2)cc1S(=O)(=O)NC(C)(C)C 1171874382 BVZJVFYNPWNSRI-UHFFFAOYSA-N 408.524 1.443 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(c2cc(C)c(C#N)cn2)CC1 1184846909 DPOZUQAKWGOABN-UHFFFAOYSA-N 418.475 1.769 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196691249 JAIPPRFIPQZVQU-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE C[C@@H](C(=O)Nc1ccc2c(c1)OC(F)(F)O2)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198085486 UTYJUEPZEVKYNT-MMPTUQATSA-N 413.402 1.205 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1234023391 HHDIWLIEODPFGO-ROUUACIJSA-N 418.519 1.662 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@@H]2CC(c3ccc(OC)c(C)c3)=NO2)CC1 1235494359 CMJLBNDEPNNCSM-INIZCTEOSA-N 414.462 1.985 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C2)C1 1255363521 KVMHNOWPIOINAU-ROUUACIJSA-N 408.543 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286277819 HVMUZTASUNJNFP-AAEUAGOBSA-N 410.569 1.662 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCN(CC)S(C)(=O)=O 1286303411 QXFVQGJUGQKTNC-INIZCTEOSA-N 421.571 1.269 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(N(C)C)CCC1 1286425972 FIEUPIJBBUDAEB-UHFFFAOYSA-N 408.506 1.953 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1286537620 HENPLRWFDDXQDT-OCCSQVGLSA-N 420.315 1.865 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286547199 JSQDRDLUSJKHMB-VXGBXAGGSA-N 403.277 1.083 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)CCNS(C)(=O)=O 1286588405 FHWSJJPIUYRXKO-UHFFFAOYSA-N 409.512 1.524 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286687205 HIGBTAAOTIEWEG-HZPDHXFCSA-N 409.556 1.499 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1286756255 JIHWREHQVPANKB-INIZCTEOSA-N 402.499 1.886 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1286824331 WUMAEGHMUUDUCB-AWEZNQCLSA-N 408.572 1.783 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1286918530 OSSWWYYLAGYRAQ-JOCHJYFZSA-N 421.505 1.400 30 10 HDEE CCCN(C(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)c1snc(C)c1C#N 1289083872 JYZKZPMRRLVINZ-RRCSTGOVSA-N 402.476 1.619 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1290416969 DOLYMAMKWHGJSX-DYVFJYSZSA-N 424.527 1.511 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CCNC3=O)CC2)CC1 1291843912 GUZAOYDVYDREOW-UHFFFAOYSA-N 404.511 1.653 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1300296041 QEMWZXYXVYAHIO-LZLYRXPVSA-N 416.551 1.935 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1300458725 LRCXKLNHCBOALQ-IBGZPJMESA-N 409.538 1.459 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OCC2CC2)c1 1300532072 MALPDGHNOHGRFH-SFHVURJKSA-N 404.474 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CCOCC1 1300559404 POFPDTLQCGGFAA-QFIPXVFZSA-N 416.522 1.323 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2CC(F)(F)F)CC1 1300716707 PCVYUPBWIOXFMW-CYBMUJFWSA-N 417.432 1.530 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1301187780 BVPKCVAURLOIRZ-HOTGVXAUSA-N 410.544 1.706 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301257710 DEHXJHAIOQZXJJ-WOJBJXKFSA-N 419.570 1.923 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301611371 BQILTBSVYPORFL-ROUUACIJSA-N 407.584 1.860 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301611945 IVZPYQYMDOBUSP-IAGOWNOFSA-N 421.567 1.529 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCOC1 1301959509 HWQUNLSZFAVLHG-HOTGVXAUSA-N 407.482 1.943 30 10 HDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1302211341 OCYYHFCPUUZGRE-UHFFFAOYSA-N 423.521 1.972 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1COC2(CCC2)C1 1303052229 JZVWISGDZIPHHV-ZBFHGGJFSA-N 405.520 1.968 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CCO1 1303535917 XOSUAJLMOAHUJY-KRWDZBQOSA-N 409.450 1.878 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)cc1 1304234265 GKRROAVJMNLNJR-AWEZNQCLSA-N 400.522 1.237 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 1309026765 GMWUXULLLBSAOB-UHFFFAOYSA-N 407.521 1.883 30 10 HDEE CN1CC[C@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 1323955199 RBLKIWIAOWDVCL-AZUAARDMSA-N 416.478 1.537 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)CC12CCCC2 1352575534 VYPLEMIXAREWHZ-LJQANCHMSA-N 418.475 1.902 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1358886570 GRSNSUQXDTYJOB-GUYCJALGSA-N 404.478 1.829 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358963247 FCYHBEXURLRPAL-JKSUJKDBSA-N 421.567 1.018 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@@H]1C 1358989402 ASXHLGWSEBQQMI-OPAMFIHVSA-N 408.458 1.677 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2C[C@]2(N3CCOCC3)CCSC2)CC1 1359028776 DKYSYQRDGAOKTK-OAQYLSRUSA-N 418.611 1.365 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1359273881 RUYJAFWLKOZLGC-LJQANCHMSA-N 403.508 1.599 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)C1 1359325803 NDIPDXSXUHGDMW-IAGOWNOFSA-N 403.487 1.085 30 10 HDEE CC[C@H]1[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1439796657 NRRFEQAROAFYRO-QCUYGVNKSA-N 411.524 1.419 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CC(O)(CC#N)C3)nn2)CC1 1447926627 WRZHXPXUHRFOKG-CQSZACIVSA-N 404.471 1.341 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1453966789 VHVRTWBIXSYVOC-SJLPKXTDSA-N 404.511 1.999 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1461243990 SVFPBZMZHVVPHJ-RDTXWAMCSA-N 413.865 1.898 30 10 HDEE COCCN(CCNS(=O)(=O)c1cc(F)cc(C#N)c1)C(=O)OC(C)(C)C 1463452480 SXJYKKCTQRLFHE-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1464932346 NQKPFRSQOFUMGU-LJQANCHMSA-N 416.474 1.753 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(F)c(N2C(=O)CCC2=O)c1 1467878622 FVDMKPNGGUXFAX-VHEBQXMUSA-N 400.366 1.334 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](CN3CCCC3=O)C2)s1 1470278753 AXBMIZMDQRRFKD-CQSZACIVSA-N 411.549 1.226 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@]2(C1)CN(C(=O)OC(C)(C)C)CCO2)C1CCOCC1 1470866630 URXHZSFJTGLQCK-UTKZUKDTSA-N 407.511 1.836 30 10 HDEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CC1 1471935764 GJPRCDSSSKNSTD-UHFFFAOYSA-N 411.524 1.622 30 10 HDEE C#CCN1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1471938288 IKBSGFMUFJLHMZ-OAHLLOKOSA-N 401.511 1.962 30 10 HDEE N#Cc1cc(Br)cnc1NCCS(=O)(=O)NC[C@@H]1CCCCO1 1472697499 ISTQNTHLPBEJSR-ZDUSSCGKSA-N 403.302 1.616 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(S(C)(=O)=O)[C@H](C)C2)n(C2CCCC2)c1C 1473642565 FBDRZOULJJCOAY-CQSZACIVSA-N 421.567 1.996 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@@H]1CN(C)CCN1C 1475706289 FUQFPCOIIZENJJ-RISCZKNCSA-N 401.330 1.233 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)C1 1476192051 RPNWSFYMINYGEL-OAHLLOKOSA-N 401.492 1.495 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O 1478284258 FRJIXOPZBGTMGI-CYBMUJFWSA-N 403.863 1.484 30 10 HDEE COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)cc1 1478957086 LHVVTWCRLSKGNY-IRXDYDNUSA-N 421.505 1.856 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2cnn(CCOC)c2)c1 1507549965 CUQDQEZLTLDBEE-UHFFFAOYSA-N 421.505 1.788 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCc2cn[nH]c2)c1 1507551354 WVNJQJPWYGSIIG-SFHVURJKSA-N 419.489 1.804 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1COC)[C@H]1CCS(=O)(=O)C1 1507635750 ZHEUSNMXHKEZDH-SFHVURJKSA-N 402.520 1.662 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507638864 TVDHDWHPYPNQMV-ZIAGYGMSSA-N 402.467 1.802 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(O)c1 1507660232 OVVBTRYWYMOSDI-HNNXBMFYSA-N 401.492 1.105 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1507701658 NUBFBEPXNIFITF-IBGZPJMESA-N 406.483 1.169 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1C 1507998612 QXNSGFQLUNUHKW-QGZVFWFLSA-N 422.493 1.607 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N(C)C)CCOC1 1509804184 FNKGKVKKSDWILS-HXUWFJFHSA-N 404.515 1.537 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1512331039 DPXRKLBUVNEYTH-SJORKVTESA-N 424.505 1.822 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)C2(C#N)CCSCC2)cc1 1520951385 HSRDYWBFYUVIOO-CQSZACIVSA-N 419.503 1.970 30 10 HDEE Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1525465411 DQADMWPYHOZTQD-UHFFFAOYSA-N 417.779 1.934 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1533479944 UZOHZQZLYMYDGD-IRXDYDNUSA-N 408.520 1.596 30 10 HDEE CCO[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)CN(C)C 1534456803 WJKFTQZLFOAPFO-GOSISDBHSA-N 422.551 1.042 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C1CCN(C)CC1 1538519593 HJXGUWJQQIVRQR-UHFFFAOYSA-N 419.547 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1538971057 FJLCEVNBBJOTPH-CVEARBPZSA-N 405.524 1.734 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539202850 LQBHXRWGJSDWQJ-AWEZNQCLSA-N 421.489 1.522 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1539231131 OWZNDFWXHJOELR-DLBZAZTESA-N 424.567 1.819 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1539264020 VHCIQRMRHHOHCE-DMEQXSTQSA-N 408.462 1.119 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCN1CCN(C)C(C)(C)C1 1539311139 AVQHYVKXSHUXAT-UHFFFAOYSA-N 407.566 1.773 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](COC)OC 1539363144 NCYKSPAMRPYPFV-HNNXBMFYSA-N 420.539 1.359 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)N(C)C)CC1 1539484117 CSFQJRSZHGXQQE-IBGZPJMESA-N 422.577 1.979 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC 1539540749 STOVBXODGFINNA-HXUWFJFHSA-N 415.519 1.477 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)Nc1nc2n(c1C#N)CCOC2 1540003171 JVEVCMLWBKLDQF-LBPRGKRZSA-N 407.496 1.966 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2COc3ccccc3O2)s1 1540603424 HSKPJIIKILEZBM-ZDUSSCGKSA-N 408.501 1.711 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1540868240 XNTOOZPZWKGKKW-GOSISDBHSA-N 409.538 1.955 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1540870257 IQPKTTCVENCOAW-OAHLLOKOSA-N 401.471 1.507 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 1544630665 QQBTXICVEBIIAV-AWEZNQCLSA-N 407.492 1.346 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1554353490 DVBAJTYWLXUPGO-OXJNMPFZSA-N 414.897 1.729 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)c1 1554500956 JGXDTOPTELRLHM-WMLDXEAASA-N 418.523 1.682 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2Cc2ccnc(OC(F)F)c2)CCO1 1555995717 SAUMXABWMLNHOC-ZIAGYGMSSA-N 406.393 1.903 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 1556102596 LIHZMYFEGJWFOA-SFHVURJKSA-N 414.466 1.981 30 10 HDEE Cc1c(Br)cc(I)cc1C(=O)N[C@H](C#N)CO 1556608080 ZAHCLEQMBGIJSD-MRVPVSSYSA-N 409.021 1.976 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1558517889 QZECJUPMKYZJNQ-GDBMZVCRSA-N 407.341 1.990 30 10 HDEE N#Cc1ccc(CC(=O)Cn2nnc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1 1559370476 BLLFBGQFCXUMLH-OAQYLSRUSA-N 402.458 1.930 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCc2ccnc(C#N)c2)c1 1568543073 CIYMDTZYHFGEGP-UHFFFAOYSA-N 408.867 1.461 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl 1569342231 NLEPVIMGAFYUNV-CVEARBPZSA-N 402.900 1.728 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc2c(cc1O)n(C)c(=O)n2C 1569982899 HNPJMKCRVLYUQO-GFCCVEGCSA-N 402.451 1.828 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1570226602 ACMAEWLBGPTERR-HUUCEWRRSA-N 412.895 1.272 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)ccc1NC(=O)CC(C)C 1585138542 JCHBMMZEZPWSJK-JXFKEZNVSA-N 403.504 1.990 30 10 HDEE COc1cc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cnc1OC 1586521840 LIOSVDMFZJRJMK-OAHLLOKOSA-N 409.402 1.814 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1587884042 PALQCEONMBTWCG-UHFFFAOYSA-N 404.474 1.953 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1588054757 PQJCNWYSTKQKPL-KURKYZTESA-N 420.535 1.144 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OC)cc2)s1 1588087943 IIHGPEVEQRUZST-UHFFFAOYSA-N 408.501 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 1588094312 ZCQKUFXFKFARGD-UHFFFAOYSA-N 424.936 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1 1588229276 SKRLNFVDFXLLRH-IBGZPJMESA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1588263664 ZPCVYKRFMRKGDP-UHFFFAOYSA-N 412.885 1.498 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1588271719 NUIAGJLLKISLAM-UGKGYDQZSA-N 419.570 1.891 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1588459138 MUHFBGGWLXWECU-RCCFBDPRSA-N 421.567 1.793 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CC 1588612511 HJNCNCFBRMIZQS-FQEVSTJZSA-N 410.482 1.168 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1588619661 AQFIISMNYSNFES-IERDGZPVSA-N 400.479 1.580 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1593684065 RLEBNAQFYFAVFC-HXUWFJFHSA-N 407.515 1.190 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1593758456 ZRIXWEWVOUIWQR-FQEVSTJZSA-N 423.521 1.959 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cncn2)C1 1594807487 QFLKQHVIQCFLEO-HZPDHXFCSA-N 400.487 1.255 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCN(CC)CC1 1594963033 OUECRJVVDPCOKW-SFHVURJKSA-N 424.615 1.220 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@]2(CCOC2)C1 1595593515 FOXDGYZUBGUYEB-NRFANRHFSA-N 415.469 1.915 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1596814699 ZIWWQSSHOLBFJA-LSDHHAIUSA-N 423.477 1.995 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCc3cncc(C#N)c3)CC2)cc1 1596856381 UGGGJOVFGRDZFQ-VOTSOKGWSA-N 405.458 1.483 30 10 HDEE N#CC1(c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C4(CC(C(N)=O)C4)C3)cc2)CC1 1602996749 QUCZKGSNFLHLDO-FXUPRZHBSA-N 401.488 1.183 30 10 HDEE Cc1csc(CNc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)n1 1607498869 ZWAFHPXWHVLSJF-UHFFFAOYSA-N 422.470 1.895 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCO1 1614262207 QEQNGHHQPDFGCT-SJORKVTESA-N 410.478 1.623 30 10 HDEE N#Cc1cn(CCC(=O)NCc2ccc(-n3cnc4ccccc43)cc2)c(=O)nc1O 1615925278 HHAGQBMSMRAZSO-UHFFFAOYSA-N 414.425 1.866 30 10 HDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC#N 1617173211 YTBYWNNEUFOGLI-OAHLLOKOSA-N 420.539 1.970 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccc(C#N)cc3)CC2)CC1 1620507529 OLWNXYYFBDEQQE-SWCONJRYSA-N 415.534 1.916 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)Cc1cccc(S(C)(=O)=O)c1 1621750743 ANIQZULRYKLRJM-UHFFFAOYSA-N 422.528 1.940 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1622318441 SLIDVPWFMQNSTP-VIFPVBQESA-N 424.700 1.942 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)c1 1624774808 MUHVTPJZZKPKDZ-UHFFFAOYSA-N 420.512 1.952 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC(CC(N)=O)CC3)C2)C1 1624807903 GTJOTCUYELCZMF-TZQQIIETSA-N 404.511 1.887 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCc1ccccc1 1625796003 IAKOUUSIHGGBNA-QGZVFWFLSA-N 423.535 1.529 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)CCn1cc(C#N)c(O)nc1=O 1627298755 BWXIEKUUSBFCNW-BFHYXJOUSA-N 419.482 1.455 30 10 HDEE N#Cc1c(F)cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1F 1628650101 BGCSJFJTQXVQBR-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE COc1ccc(C(=O)N(C)[C@H]2CCC[C@@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882301 DYOFHJGMALZDOW-CVEARBPZSA-N 407.492 1.480 30 10 HDEE COC[C@H](NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 1634188265 QPVNYEZMGKMEPQ-QRQLOZEOSA-N 400.479 1.794 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)cn2)cc1 1636093191 HKDHKSYCHLGSGE-CABCVRRESA-N 412.393 1.965 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CC(c2ncc(Br)cn2)C1 1636272938 HBAMBZJABVTSJJ-JQIJEIRASA-N 406.240 1.081 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)c1 1636795514 UDWKVTXDUIIZLN-QFBILLFUSA-N 401.488 1.867 30 10 HDEE N#CC1(CNC(=O)CS(=O)(=O)Nc2ccc(N3CCCCC3)cc2)CCOCC1 1637331853 IJPFTHLGISVKAY-UHFFFAOYSA-N 420.535 1.855 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)c1 1641376697 FFAOLLPRJIRPTJ-UHFFFAOYSA-N 423.535 1.973 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1642608229 VLJZSNFRJUXQIK-LJQANCHMSA-N 417.491 1.032 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1648293501 GUWKSVZUDYUFPW-AWEZNQCLSA-N 407.540 1.932 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CC(=O)Nc2ccc(C#N)c(Cl)c2)cn1 1648327131 BEHPALRQHCCDMO-KRWDZBQOSA-N 421.910 1.745 30 10 HDEE CCOC(=O)c1ncn(C2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1N 1654136775 NCXFJBBXEDTEEI-XOBRGWDASA-N 404.515 1.722 30 10 HDEE C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1654868004 PETLYRYHBLTCMZ-QZTJIDSGSA-N 419.547 1.688 30 10 HDEE COc1cc(OC)c(CNC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)c(OC)c1 1659322175 LXWICQJEBHUBKH-IBGZPJMESA-N 413.474 1.866 30 10 HDEE C#CC1(O)CCN([C@@H](C)C(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CC1 1659571013 FSNUUACZBFLVFW-ZDUSSCGKSA-N 413.927 1.377 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1660672782 WICBJBRCJYOFQE-BZSNNMDCSA-N 419.570 1.476 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 1661546209 ZWTLVRFTFWKEKR-NSHDSACASA-N 422.912 1.882 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 1662965841 SSWCJRVPPZYDLV-UHFFFAOYSA-N 416.540 1.993 30 10 HDEE C#CCN(C(=O)NCCC1(O)CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1672590379 HQSDRNBPLJIZHQ-UHFFFAOYSA-N 409.527 1.962 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1675683022 RNFWILVLBFVXGF-KRWDZBQOSA-N 408.543 1.751 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1689875520 UUFANVVCWYMSMR-DLBZAZTESA-N 423.583 1.823 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(C(N)=O)CCOCC1 1689955444 HWHXVSBBYXTCNE-UHFFFAOYSA-N 411.462 1.068 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ccc(C)n(C)c1=O 1689961111 LRDBSSIESKSKFE-UHFFFAOYSA-N 415.457 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cscc1C 1690032988 NYLACOGXNGUVQY-OAHLLOKOSA-N 405.549 1.769 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)C2CC2)CC1 1690131031 RUAXKHBGTJLVDT-DEOSSOPVSA-N 423.561 1.988 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1690156594 ZCOSFNAPKAEYEX-CABCVRRESA-N 423.564 1.842 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1690247535 BXHIQUGHNCXCRN-RYRKJORJSA-N 411.572 1.587 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690496361 OVNJZIUJIFOPNU-JXFKEZNVSA-N 404.515 1.499 30 10 HDEE C=CCCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](C(N)=O)C1 1690499875 CWEURVDWCWUUBW-LBPRGKRZSA-N 423.315 1.940 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nnn(C)n1 1690525698 OHDBFCCEQVVJMG-AWEZNQCLSA-N 417.518 1.587 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1ccc(C)o1 1690658920 DMPYCTBZTSECRC-OAHLLOKOSA-N 400.483 1.961 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@](C)(O)C(C)C 1696332964 VRBMNTFMISDNTO-NRFANRHFSA-N 413.526 1.815 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1696841814 FJAYBOUVPNLYCS-UHFFFAOYSA-N 400.464 1.258 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1705595059 DBLWNUHROWCZGF-HXUWFJFHSA-N 421.549 1.679 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OC)c1 1705600741 LAFFQKYDUJZQTJ-UHFFFAOYSA-N 421.501 1.929 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cccs1 1705902397 DDNAPSGAWKGWEJ-CQSZACIVSA-N 423.564 1.570 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1705904377 NMZIUFKIEYYRPX-UHFFFAOYSA-N 414.514 1.412 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCC(=O)NC)C1 1705919447 DWYBMANAAIGCII-INIZCTEOSA-N 400.439 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705931924 FXMMMTTVGXSCPI-HNNXBMFYSA-N 418.523 1.075 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(C(N)=O)CC1 1705933313 BTKXCSNIVDAQQL-UHFFFAOYSA-N 407.496 1.149 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@@H]1C 1710277955 KWIVXEUDBJQGSC-SFHVURJKSA-N 411.554 1.925 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)OC1CCCC1 1711417889 DVXXCMHURKJIGV-UHFFFAOYSA-N 404.496 1.676 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1711930021 FJBQPKKJPHDHLW-GJZGRUSLSA-N 412.450 1.023 30 10 HDEE CS(=O)(=O)Cc1cccc(Cn2c(C3CC3)nnc2N2CCO[C@@H](C#N)C2)c1 1712695737 DVFNMSNQIKGZHZ-KRWDZBQOSA-N 401.492 1.477 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](CO)O2)CC1 1712887132 UYBXGDUPDGTAHF-DLBZAZTESA-N 402.499 1.070 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722281381 YNHMEKZYHJKFNT-RKDXNWHRSA-N 414.276 1.334 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCOCC1 1722283250 HNPMGOTVXLRRFN-MRXNPFEDSA-N 404.559 1.765 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCc1nnc(C)s1 1722374340 USIHFGGTHSJUMK-HXUWFJFHSA-N 414.535 1.796 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cn2ccsc2n1 1722387044 DXOXIOOCBDDBNE-UHFFFAOYSA-N 407.503 1.735 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1722405317 ALZOVEPDYQKWTN-INIZCTEOSA-N 423.514 1.639 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCCCC2)CC1 1722428789 ARZFLVZGSURBBH-UHFFFAOYSA-N 413.570 1.145 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(C)(=O)=O)CC1 1722578664 WBHFFLTTYBZPJJ-UHFFFAOYSA-N 407.496 1.453 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1722614841 DVVIDVLALDCHCH-AEFFLSMTSA-N 402.543 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1722726350 CQRIFCYQEBMCPR-FGTMMUONSA-N 424.567 1.636 30 10 HDEE CC(=O)N1CCC(Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1722761299 CUOPMPLNCJEIOQ-IBGZPJMESA-N 400.527 1.998 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730553644 STSWTABUSYYEMV-BQASMSSTSA-N 416.526 1.965 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccc3F)n2CC(=O)NCC(F)F)C1 1731181126 FTQDSTNXXFUCBU-SFHVURJKSA-N 410.375 1.831 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740625223 DVTLSRZXIMDNKA-KSZLIROESA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCc2sccc2C1 1740638659 LMJKIBBBBGDMJV-QGZVFWFLSA-N 408.531 1.422 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1snnc1C 1740686554 KQJDPYQNERMSCM-UHFFFAOYSA-N 403.537 1.928 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ncccn2)CC1 1740715380 YEYBHJGWNSFECU-UHFFFAOYSA-N 406.519 1.823 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCNS(C)(=O)=O)CC1 1740819527 TXSPWCNWYFIAGK-GOSISDBHSA-N 413.544 1.026 30 10 HDEE C=CCOc1ccc(Cn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1 1740965690 KWEGOOWXQVPFNP-QGZVFWFLSA-N 424.505 1.162 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1741000655 URANASPHHYNVHC-GOSISDBHSA-N 420.564 1.669 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCC(C)(C)C1 1741657694 CBOZCVUCJXPZLA-FQEVSTJZSA-N 405.522 1.980 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1742021420 CKCQJOMWMHFULR-MRXNPFEDSA-N 424.465 1.129 30 10 HDEE Cc1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1742793544 NRJNHAUJLXHYHV-MSOLQXFVSA-N 406.556 1.921 30 10 HDEE C[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1743048755 NSLZEBJNLZNHEJ-UDJKBAMHSA-N 422.493 1.888 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1747884301 WHNUSMVQWFWMHX-UHFFFAOYSA-N 412.466 1.847 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1748794195 QDRFKGJESRCWQY-UHFFFAOYSA-N 405.524 1.275 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1748811386 FRQQAMHCRYARIH-HZPDHXFCSA-N 418.523 1.177 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1748978561 MQCGWMODGCSVIG-RXVVDRJESA-N 401.511 1.378 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1749039477 UYOOBOWPMPNMPF-RTBURBONSA-N 419.595 1.697 30 10 HDEE C=C(Br)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749084639 SRZUWKJXUARSSP-TXEJJXNPSA-N 421.255 1.396 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1749211151 UNAIFTGXQJRKNP-MRXNPFEDSA-N 404.515 1.164 30 10 HDEE C=CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749408471 JMGWCYOSWJNAEC-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749456598 ISDYPBMSPQZLSD-QZTJIDSGSA-N 403.527 1.966 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749722037 ZPWQHVKUZGOSNK-UONOGXRCSA-N 404.558 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@H]1CCCCO1 1749729806 SGBJUPKSKJVSFL-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1750388588 QFTBWXZEFLTKOI-HZPDHXFCSA-N 421.548 1.484 30 10 HDEE CC1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1751292400 XACWUOKCLZEEMM-UHFFFAOYSA-N 418.523 1.657 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1760125541 ZXVOLKWRAYITGW-MRXNPFEDSA-N 415.469 1.703 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCc2ccncc2)CC1 1760268428 RCMMAYJXDUDEAT-UHFFFAOYSA-N 415.501 1.944 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NC)CC1 1760411617 BOICDRDIDVJVIP-HNNXBMFYSA-N 424.571 1.244 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1760527364 UJIWQQBHSDGASJ-GOSISDBHSA-N 408.506 1.177 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@@H](OCc2cccc(OC)c2)C1 1760550772 IZUPQPBFVSRPGE-LJQANCHMSA-N 420.535 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)CC1 1760553998 OBYGYYYEDDFKKR-UHFFFAOYSA-N 407.462 1.441 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)cs1 1762297294 STHNBPCEKQYCKG-KBPBESRZSA-N 410.450 1.787 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1765446497 FARXFNXFYZHEMT-BZUAXINKSA-N 411.576 1.359 30 10 HDEE COC(OC)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1769690064 PDZVHMFPLIEJEI-QZTJIDSGSA-N 413.478 1.850 30 10 HDEE COCCOCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1770144805 DCXWNIAGSUNGCV-OAHLLOKOSA-N 406.874 1.775 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)C1CCCCC1 1771223628 XOYREHXYUFIOPL-PKOBYXMFSA-N 420.558 1.995 30 10 HDEE C[C@@H]1NC(=O)[C@H](CC(=O)OCc2cccc(COc3ccc(C#N)cc3)c2)NC1=O 1850522580 FBJOTYQAORNSFW-LIRRHRJNSA-N 407.426 1.574 30 10 HDEE CN1C(=O)CC[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@@H]1c1ccc(F)cc1 1851118364 YCLJOCNAYBUSPD-QUCCMNQESA-N 422.464 1.746 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N(C)c1ccc(C#N)cn1 1851316166 ZAKUNPIXNWBKTL-INIZCTEOSA-N 401.492 1.722 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H](C)Cn2nc(C)c(Br)c2C)NC1=O 1851578338 IOVRYDWEGIQVGP-MRVPVSSYSA-N 410.272 1.219 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)CC)CC3)n[nH]2)c1C 1851796334 UPPFYXOFNKGQOZ-UHFFFAOYSA-N 420.539 1.574 30 10 HDEE Cc1ccn2c(=O)cc(COCCN3CCN(c4ncccc4C#N)CC3)nc2c1 1852426217 QBWYBSXSSVEWHX-UHFFFAOYSA-N 404.474 1.608 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)C(=O)C2)C1 1853716483 VUIKSCBWQXAOQI-RTBURBONSA-N 410.518 1.279 30 10 HDEE C[C@H](Oc1ccccc1F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854438086 MHRQXCKVRTUIPS-AWEZNQCLSA-N 423.466 1.430 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1854557966 AUOHMQIUEYSDBC-HKUYNNGSSA-N 407.474 1.473 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855007432 PUNMJSPQYKLFHB-IAGOWNOFSA-N 419.526 1.045 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855224553 IPMHREYJEPBMIP-CVEARBPZSA-N 404.536 1.689 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1855411505 GRNLSUASQXDMHL-MSOLQXFVSA-N 402.539 1.099 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C2=O)CC1 1855597429 CTBZHKHSMWYVMW-QGZVFWFLSA-N 400.458 1.195 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)cc2n1C 1856531783 LGDAFHYNBBNIJM-WBVHZDCISA-N 407.474 1.244 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1857241764 RSADWFZPEXBMJM-MRXNPFEDSA-N 401.486 1.715 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CCC(S(C)(=O)=O)CC3)C2=O)cc1C#N 1857247266 PYRMABIUWQVTGT-IBGZPJMESA-N 417.531 1.897 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O 1857370968 IDITWHQMUIREKY-UHFFFAOYSA-N 400.442 1.838 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)c1C#N 1866109386 VGWNMFYJPUSKDO-UHFFFAOYSA-N 400.354 1.411 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N(CCO)CCO)n2CC(C)C 1873552587 WHBIJAHOZVQMIW-UHFFFAOYSA-N 401.511 1.693 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CS)C(=O)O)[C@@](C)(C(F)(F)F)C1 1882726151 HZSKPAWOWQCYLY-NUPCCRGMSA-N 400.419 1.921 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CS)C(=O)O)[C@](C)(C(F)(F)F)C1 1882726153 HZSKPAWOWQCYLY-RFXMVYNHSA-N 400.419 1.921 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)c1 1890899526 TXAAWZKRPRXTMU-QZTJIDSGSA-N 412.490 1.598 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCC[C@](O)(CNC(=O)OC(C)(C)C)C1 1982281177 HBSRXLXKSOXGAQ-AWEZNQCLSA-N 413.334 1.576 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1986062901 VQPGJHLRIQJFNQ-CYBMUJFWSA-N 404.276 1.794 30 10 HDEE Cn1c(Br)nnc1CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C 2023965726 HZXQVEPNCRDATA-UHFFFAOYSA-N 400.277 1.501 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2054406430 VQKXRGGGTUEYIT-KBPBESRZSA-N 420.413 1.524 30 10 HDEE N#Cc1c2c(nn1[C@@H]1CCS(=O)(=O)C1)CCN(C(=O)OCc1ccccc1)C2 2069967301 HUMCLFDXGDLYGP-OAHLLOKOSA-N 400.460 1.809 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2157047151 GUJOSSFSFYXDEQ-NSHDSACASA-N 403.331 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](NS(=O)(=O)N2CC[C@H](C#N)C2)(C(F)(F)F)C1 2174781511 GSJZEXJPJYUEEH-RISCZKNCSA-N 412.434 1.608 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N(CC#N)CCC(F)(F)F)C1 2181147982 PHAALTHAGDZUIK-UHFFFAOYSA-N 401.332 1.908 30 10 HDEE CC1(C)OB(c2csc(CN3CCSC[C@@H]3S(C)(=O)=O)c2)OC1(C)C 2227145216 BCPNSQSXUGNGGM-AWEZNQCLSA-N 403.400 1.967 30 10 HDEE Cc1c(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247777849 SKSTUMPNNCRXHP-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248056848 SLYVBKIOVPPAKN-UHFFFAOYSA-N 420.275 1.057 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C(C)(C)C 2258133496 IBBUZYWMQFHRIT-HOTGVXAUSA-N 410.492 1.422 30 10 HDEE CN([C@H]1CCNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267706361 WVWBDJORDKQJOM-JTQLQIEISA-N 406.766 1.683 30 10 HDEE C#CC[C@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270506555 BOXYQLLOYXJCKL-ZWKOTPCHSA-N 422.503 1.662 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270514950 NVXZTGNKARJUEJ-FUHWJXTLSA-N 422.503 1.520 30 10 HDEE CC(C)(CNC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2282053832 XXIGJSIEPWZALJ-UHFFFAOYSA-N 402.347 1.243 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@]2(C)CCN2)sc1B1OC(C)(C)C(C)(C)O1 2282304761 OVXRSMFNYRAPQQ-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@]1(C)CCC[C@@H]1O 2282306322 LPAQBWMZDCFNOX-SUMWQHHRSA-N 401.359 1.938 30 10 HDEE CC(C)C[C@@H](CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339881 YPFSWNLDZJICLF-CYBMUJFWSA-N 403.375 1.980 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCC[C@H]2CCCN2)OC1(C)C 2282344405 KVINRQKETNIWCG-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3CNOC3)c(Cl)c2)OC1(C)C 2282488658 AKNUOQGKVVBHBC-JTQLQIEISA-N 423.127 1.474 30 10 HDEE CC[S@](=O)CCNS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282510933 GTKKNLWGDKNLOG-VWLOTQADSA-N 405.322 1.172 30 10 HDEE C[C@@H](CC[S@@](C)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602672 WERFJPIVVWMRBR-KPHLJTLVSA-N 400.737 1.921 30 10 HDEE CO[C@H]1CN(C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282629085 RRGSTCWMUQAKRW-NEPJUHHUSA-N 400.737 1.760 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282836160 GQYGCPQTFIPOHR-GFCCVEGCSA-N 402.391 1.832 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2C[P@](C)(=O)C[C@H]2O)OC1(C)C 2282854588 UCCYKGOGVQUIGW-FLXNLOQFSA-N 421.286 1.062 30 10 HDEE C[C@H]1CC[C@@H](CN)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856212 OZCODUMIPKDRMM-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC(C)[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282865213 QUWNCPCQSJNPTE-QWHCGFSZSA-N 401.359 1.997 30 10 HDEE CC(C)(N)CCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881014 QDLHUXIQEHHNPZ-UHFFFAOYSA-N 402.391 1.984 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CC[C@H](C(=O)O)C3)c2)OC1(C)C 2284410776 WNLHSPBKJVHDJF-JQWIXIFHSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CC[C@@H]2N)OC1(C)C 2287585404 UOOZYZJTYPNBPA-FZMZJTMJSA-N 400.737 1.655 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2302857692 WZEXJCOYZAMKMK-ZDUSSCGKSA-N 414.271 1.230 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316813034 JTLVSVXJVLIHLD-INIZCTEOSA-N 406.504 1.537 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362567874 PBDHSAIYPZHAMN-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE C#CCOCCOCCNC(=O)c1c(Br)c(Br)nn1C 2364056232 OORWNIORDGBTEA-UHFFFAOYSA-N 409.078 1.341 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365192175 ATFUFSSJROMJNT-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C12CC2 2365213681 XUQLTFZOLQBDIK-IFXJQAMLSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1C[C@@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365213945 XEESAVFTMRXEOJ-QZNHQWIBSA-N 400.541 1.291 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245229 XZFGIRCIPQXWGG-UGSOOPFHSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)OC(C)(C)C1 2367789371 SMMJCRXJJSAKMY-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CNC(=O)OC(C)(C)C 2367810402 XIAJZNAWEHNECH-CRAIPNDOSA-N 402.557 1.601 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[C@@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367815635 FOACNFXAOLWPGI-CAOSSQGBSA-N 400.541 1.339 30 10 HDEE CC1(C)OB([C@]2(C)CCN(S(=O)(=O)C3CCS(=O)(=O)CC3)C2)OC1(C)C 2368345998 OGWSTVMKCZNUMZ-MRXNPFEDSA-N 407.363 1.452 30 10 HDEE Nn1c(N/N=C/c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)NCc1ccco1 20291909 CRNMYMBYHYRFBD-UFWORHAWSA-N 416.423 1.348 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 111215452 ZCWKAFJGYCBEFR-JOCSGSGBSA-N 416.547 1.833 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1C#N 170493345 XKIREIMPEWWUDL-UHFFFAOYSA-N 412.314 1.389 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2[C@H]3C=C[C@]4(CN(Cc5cccc(OC)c5)C(=O)[C@H]24)O3)CC1 247916809 WNOQJISRGGKWFC-MDAIXWLXSA-N 423.513 1.307 30 10 HDEE CSc1nc(O)c2[n+](n1)[C@@]1(Nc3ccccc3-2)C(=O)Nc2ccc([N+](=O)[O-])cc21 261363458 SGUIKJVBYXXCDJ-GOSISDBHSA-O 409.407 1.846 30 10 HDEE Cc1cccc(N/C(N)=N\Cc2ccccc2S(=O)(=O)N2CCN(C)CC2)c1 304760881 TUPLINQGEOHXIC-UHFFFAOYSA-N 401.536 1.858 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 435170444 GJHVTUDYLWYELF-UHFFFAOYSA-N 402.451 1.038 30 10 HDEE CN([C@@H]1CCN(c2ccccc2)C1=O)S(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443110162 ATGACAALGPCKPW-MRXNPFEDSA-N 400.416 1.892 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1CCC 447282067 WGXXVFUOSYNVGO-UHFFFAOYSA-N 416.453 1.499 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3cn4cc(Cl)ccc4n3)CC2)c1C#N 472107382 BWWNCGQRZDBASD-UHFFFAOYSA-N 412.885 1.933 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)n1 474173090 VEJHWCUTJRMPLN-OALUTQOASA-N 409.490 1.043 30 10 HDEE CC(C)(C)OC(=O)[C@H](c1ccccc1)N1CC[C@@H](NS(=O)(=O)CCCC#N)C1=O 474390570 HGMIQIGVSJTJGH-SJORKVTESA-N 421.519 1.893 30 10 HDEE CCN1CN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1=O 482982010 SNSLRXYZOICRMF-UHFFFAOYSA-N 412.406 1.642 30 10 HDEE C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 483308580 NXBCBIZCOFSXLF-VDGAXYAQSA-N 404.486 1.006 30 10 HDEE CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CCN(C(=O)CC#N)CC1 503624581 KEJIBOSGUDMKOC-INIZCTEOSA-N 422.938 1.776 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)s1 503690432 OQFBFFMOJIIQQC-QGZVFWFLSA-N 415.537 1.713 30 10 HDEE N#CC1CCC(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 508348945 UGNIVZIIVGKKJI-UHFFFAOYSA-N 411.549 1.758 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508910246 BDHDGVDJFZUTEI-IBGZPJMESA-N 411.506 1.752 30 10 HDEE N#CC1(CS(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CCCC1 511243987 XRMXFRNOORAHMC-UHFFFAOYSA-N 423.919 1.761 30 10 HDEE Cc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)no1 515507393 KBGGXGASEMHVHP-UHFFFAOYSA-N 423.882 1.453 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 516668275 USZVTJFOCMPXII-IXDOHACOSA-N 424.482 1.349 30 10 HDEE CC[C@@H](CC#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 546571630 LLDVDNDFYSRGMB-LBPRGKRZSA-N 416.297 1.611 30 10 HDEE Cc1c(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cnn1C 548726766 CYERROXCNJXQGI-UHFFFAOYSA-N 415.519 1.660 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 549290551 DGHKMPQQZARJAA-HOTGVXAUSA-N 424.571 1.303 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCN(c2cccnn2)CC1 553820035 WBEFAGLGQJEFPH-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)NCc2c(C)cc(Br)cc2C)C1=O 557251885 NNWFRTRXBCVLDX-MRXNPFEDSA-N 422.323 1.927 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@@H](C)n3cnc(C#N)n3)cc2)C[C@@H](C)O1 561483092 BSVOZSVIZZIPGG-MGPQQGTHSA-N 418.479 1.147 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC[C@](COC)(C(=O)OCC)C1 570809034 HBQPZSAIHSWIEE-UZLBHIALSA-N 408.499 1.738 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN(C)CCN1CCCS1(=O)=O 610614721 BBUGYTITKLHGPV-HNNXBMFYSA-N 410.565 1.987 30 10 HDEE CCOc1cccc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 610760453 KVXXDNGIIOJNNF-GOSISDBHSA-N 421.457 1.916 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCC(C#N)(c2ccccn2)CC1 619729420 LURPHOGLERBXKR-HNNXBMFYSA-N 416.478 1.971 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 684099276 SUWMAERDDUHFIU-UHFFFAOYSA-N 404.495 1.895 30 10 HDEE CCOc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn4ccccc34)c2=O)cc1 729670203 LRGGPXSBDSZIDS-UHFFFAOYSA-N 413.462 1.972 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N([C@H](C)CN2CCN(C)CC2)C1=O 730139696 ILAHKMYFMCUBFE-SJLPKXTDSA-N 417.579 1.699 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)C2(S(=O)(=O)c3ccccc3)CC2)cc1 731410090 JCMPTSDJASHHLZ-UHFFFAOYSA-N 404.469 1.511 30 10 HDEE COc1cc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC(C)C 732446004 GLXBSDKVMWSRPB-VHEBQXMUSA-N 402.451 1.808 30 10 HDEE COCCOc1c(Cl)cccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706480 KXKZGAXSWAPJSR-CQSZACIVSA-N 406.870 1.502 30 10 HDEE CCc1cc(O)nc(-c2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)n1 732707336 YAJHIQRILQMSRT-SFHVURJKSA-N 420.473 1.549 30 10 HDEE CCc1nc([C@H]2CCCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)no1 737881027 BVINIBOPIZIPAN-CQSZACIVSA-N 417.491 1.814 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(C(N)=O)n(-c2ccccc2)n1)c1ccc(C#N)cc1 740247466 DTDNUCVUACXBOM-SFHVURJKSA-N 404.382 1.914 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c1 741109242 SOBZPFOZENBAIH-UHFFFAOYSA-N 412.876 1.875 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C1 742028833 JIGDYICMEJGOHO-UFOSLELVSA-N 414.553 1.888 30 10 HDEE COC(=O)CCN(Cc1cccc(F)c1F)C(=O)CCN/C(O)=C1\N=CC=CC1=O 746330444 YAXWIQMKTMDTMB-FMQUCBEESA-N 421.400 1.773 30 10 HDEE COc1ccc([C@H](CC(=O)OCC(=O)NCc2cccc(C#N)c2)NC(C)=O)cc1 746547720 JGGVSAQZHSAZFU-FQEVSTJZSA-N 409.442 1.994 30 10 HDEE N#Cc1ccc(OCCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 746741717 CNVDVPLHIVUSEM-OAQYLSRUSA-N 419.437 1.956 30 10 HDEE C#CCN(CC(=O)N(CCC)CC(=O)Nc1ccccc1C)[C@@H]1CCS(=O)(=O)C1 749284629 UMUBEYBWZCKKMA-GOSISDBHSA-N 419.547 1.294 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCc2ccc(OC)c(C#N)c2)C1 753596560 DPDAFDSNVCSLDC-KRWDZBQOSA-N 424.523 1.149 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)c1 753747274 ZNYYZFBNVHITKX-SREVYHEPSA-N 407.492 1.409 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)OCCCO1 754462223 VOIPJUANTMVRDZ-OAHLLOKOSA-N 409.508 1.553 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(C)c2)C1 760301617 NHSFCAVOKANZNG-HZPDHXFCSA-N 417.535 1.866 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CSCC(=O)N2CCCCC2)CCCCC1 760405216 YJNATGJEUYYTRE-UHFFFAOYSA-N 401.554 1.652 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)cn1 764434765 YGIDCBMTDGDDNC-HOTGVXAUSA-N 406.427 1.782 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)c1 767161987 FQEWAEOANBZUTQ-CYBMUJFWSA-N 413.496 1.726 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774166030 DOBKUEUKXSWSOL-UYAOXDASSA-N 418.563 1.029 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774173217 VREPLCJYVXZGIS-KSSFIOAISA-N 418.519 1.863 30 10 HDEE C#C[C@H](NC(=O)CCN1C(=O)COc2cc(Br)ccc21)[C@@H]1CCCO1 775334490 ZTCOFYFYYYESGB-ZFWWWQNUSA-N 407.264 1.862 30 10 HDEE C#CCN(C(=O)[C@H](C)c1c(C)nn(CC(F)(F)F)c1C)[C@H]1CCS(=O)(=O)C1 777992092 NPCCDQSYYXXWNE-RISCZKNCSA-N 405.442 1.815 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)CCCC1 786294687 WFVIRVZDANIGIL-HXUWFJFHSA-N 417.510 1.677 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CC(=O)NC2CC2)C1=O 790737237 RVOJWKJBWBXUIZ-CQSZACIVSA-N 423.564 1.026 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccn(Cc2ccccc2)n1 791316926 BIBAJCXCUICUFR-UHFFFAOYSA-N 409.471 1.286 30 10 HDEE COCC1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 793489120 UWBLCNKPDLPFIK-QGZVFWFLSA-N 406.527 1.849 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 795821705 BKJRETJRPNFZKN-FQEVSTJZSA-N 402.454 1.963 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(Cc2ccccc2)[C@H]1C)[C@@H]1CCS(=O)(=O)C1 798531961 AAFUIGWKBPERQQ-CGTJXYLNSA-N 403.504 1.008 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 800783288 RVULSOBLEADUED-GOSISDBHSA-N 412.494 1.411 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cn1 801949133 JREYWJYZNOWING-DOMZBBRYSA-N 417.466 1.921 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1 806747741 FWLIQKYCKSGAJO-CQSZACIVSA-N 402.451 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC(=O)NCC#N)[C@@H](c2cccnc2)C1 807553574 STSCZLRFFMNYDE-OAHLLOKOSA-N 402.455 1.025 30 10 HDEE C[C@H](c1ccc(F)cc1)N1CC[C@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1=O 815210684 HQPFEYXSNRTXKK-DIUSINLSSA-N 415.421 1.947 30 10 HDEE C=CCn1nc(C)c(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1C 1083907601 WYZGRAMJFDXDPR-UHFFFAOYSA-N 418.512 1.832 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCc1ccc2c(c1)OCCCO2 1133648326 GNMYDUNXISDZRM-UHFFFAOYSA-N 415.471 1.245 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3Cc4cc(C(=O)OCC)nn4C[C@H]3C)cc2C1=O 1133704070 DTWVHNMSOZEADQ-CYBMUJFWSA-N 422.441 1.886 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc1OC 1135086488 WWOYNWTYZPHOLX-MLVTUZLNSA-N 403.431 1.694 30 10 HDEE C[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1139811620 QXKPQHFGTSEWPR-VGSWGCGISA-N 404.426 1.565 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCN(c3cccc(F)n3)CC2)cc1 1141260515 SKIXJQKUYBMZMI-UHFFFAOYSA-N 402.451 1.356 30 10 HDEE C#CCN(CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)C(=O)OC(C)(C)C 1141708522 JTXZUDAELOEVMZ-UHFFFAOYSA-N 401.511 1.320 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C(=O)OC 1141995843 ZWLOYZRGHBKMAO-CABCVRRESA-N 407.264 1.735 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1146220538 HTOKRXFDBUBJQE-LIRRHRJNSA-N 417.487 1.426 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1 1154958679 INQDAXHMNXPZFR-KGLIPLIRSA-N 408.480 1.253 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)cc1 1158574818 ROVGHDKBNXBYPC-HNNXBMFYSA-N 418.475 1.399 30 10 HDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1Cc1ccccc1 1159489535 FZRNTEITMQELFL-UHFFFAOYSA-N 418.457 1.715 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@](OC)(C(=O)OC)C3)ccc2c1=O 1161662625 YWVKGWTUWPSYNT-IBGZPJMESA-N 403.460 1.275 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1164413643 GLUBMACTZVNNKR-CABCVRRESA-N 409.508 1.692 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(S(=O)(=O)NCc3ccco3)ccc2C)CC1 1167536203 YEAZEPVTFBMUFS-UHFFFAOYSA-N 402.472 1.667 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1178260400 JOMPKQSZQMIXTN-HNNXBMFYSA-N 401.488 1.651 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H](CC(N)=O)NC(=O)c3ccccc3F)cc2n1 1178764921 AGMXANSGUJJMRV-GOSISDBHSA-N 409.421 1.974 30 10 HDEE CC(C)c1nc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nn1-c1ccccc1F 1180990692 ZHSDELPNXHAZJG-UHFFFAOYSA-N 423.408 1.361 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CC[C@H](CNS(C)(=O)=O)C1 1197572730 FWURFYYVRDTLHQ-LSDHHAIUSA-N 410.565 1.890 30 10 HDEE C=CCN(C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1206852161 YUXNJUQEBILALQ-DNVCBOLYSA-N 420.491 1.290 30 10 HDEE C=CCN(C(=O)Nc1ccn([C@@H](CCC)C(=O)OCC)n1)[C@H]1CCS(=O)(=O)C1 1207457945 TWESVXSEFLEWCD-GJZGRUSLSA-N 412.512 1.994 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1277180210 BPIFXDFKSITQAK-GOSISDBHSA-N 400.504 1.620 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C1CCOCC1 1280096049 JWUHPXQMJNMZKX-QFBILLFUSA-N 408.495 1.771 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1286277772 HCWIBRDUTJDJMA-HOTGVXAUSA-N 420.535 1.912 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1286311883 NLKPIUTZKACXGS-LAUBAEHRSA-N 401.511 1.702 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1286334640 JSSRZTXNUIEUKG-RXVVDRJESA-N 403.527 1.839 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1NC(=O)CC1(C)C 1286469017 CEVPAMOKYFEDIX-JZXOWHBKSA-N 419.526 1.003 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(CC)CC)CC1 1286645957 JWUYIELODHYOBM-QGZVFWFLSA-N 423.583 1.985 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)NC 1286749779 YVWKPKANRSIZHS-CQSZACIVSA-N 411.553 1.585 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1286759718 GBOWGWOZXAWICW-KRWDZBQOSA-N 404.540 1.753 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286773335 CNCFYLMMCQDNNG-IUODEOHRSA-N 410.434 1.140 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCO[C@H](COC)C1 1286780763 QEWLGHIFQHCPIP-RBUKOAKNSA-N 413.522 1.974 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286831060 SPTITYVZPSEMQJ-ILXRZTDVSA-N 404.540 1.111 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1ccsc1 1288167513 DARWGWVGIAGDJX-KSSFIOAISA-N 404.496 1.114 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(C)CCCO1 1288798842 CNDYOMHLUBISIE-RDTXWAMCSA-N 410.544 1.587 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C 1298310516 UGRPTPWHMWWNGX-RDBSUJKOSA-N 424.523 1.643 30 10 HDEE CN(CCC1CC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1298639443 GCNWZAQBPYXGBZ-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1299674805 DKLOQOIKNRVKHW-YVVXQTMVSA-N 414.911 1.171 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1300308890 QZGKYNIWEOZWLZ-UONOGXRCSA-N 406.483 1.834 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1300459198 ZDOFTEFSSTVPJS-HZPDHXFCSA-N 414.535 1.434 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1300502030 POJLRTQZHFGFLJ-BJLQDIEVSA-N 420.579 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@H](C)C1 1300506382 RRBOCWCEYQOCDP-LJQANCHMSA-N 412.538 1.088 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@@H]1C 1300578144 IBMBCVPORWGASH-DHJUGAMNSA-N 422.485 1.793 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1300631977 ZHJMIGAYEOHXCB-DLBZAZTESA-N 407.584 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H](COC)OC)CC1 1300722895 NGQBGBHTMUKEMU-SFHVURJKSA-N 403.527 1.563 30 10 HDEE C[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCN1S(C)(=O)=O 1300821115 QOPCUKOKWKNTOA-OAHLLOKOSA-N 401.492 1.570 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC 1300877138 UNWLRJZWDUXPDQ-IEBWSBKVSA-N 424.509 1.985 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1300994356 RDSBJVQJXGUQDW-HNNXBMFYSA-N 404.540 1.928 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1301001131 CQNGFJLEENYBKH-GOSISDBHSA-N 420.558 1.369 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)C(C)(C)C)C1 1301553291 JLYVCPVVRQZZKJ-INIZCTEOSA-N 422.555 1.673 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N(C)C 1301967764 GKMWOKCZJHWRBF-OAGGEKHMSA-N 420.539 1.672 30 10 HDEE CC(C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNS(=O)(=O)Cc1ccon1 1302651892 GSCMDYSBWTZEBP-GOSISDBHSA-N 421.527 1.639 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)C1 1302979523 RCVKUIASGLNDBS-ZRGWGRIASA-N 406.462 1.257 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(-c3cnccn3)n1CCCCCCO)C2 1302989258 JSHASKKWCMUNIT-UHFFFAOYSA-N 420.477 1.823 30 10 HDEE CCc1nccn1CCNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1303470680 VVSBKGYDHBJQKN-UHFFFAOYSA-N 417.535 1.861 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)C1 1303534297 DTEQIMUCMOEGGT-UHFFFAOYSA-N 400.447 1.515 30 10 HDEE CC(C)SCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1303578507 IAKRHMVUCPRKAL-CZUORRHYSA-N 401.533 1.764 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc1 1310556408 HMOQGWOESMSTGZ-UKRRQHHQSA-N 413.521 1.803 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccc2F)nnc1N1CCC(C#N)CC1 1314556622 ABIUVMRYYIFIMT-UHFFFAOYSA-N 406.487 1.763 30 10 HDEE COC[C@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1315820172 XPLVBINVRMHEJY-UONOGXRCSA-N 423.518 1.819 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N(C)C 1316102322 WCNMAXLFFQHCTI-AWEZNQCLSA-N 403.487 1.322 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)C 1358897173 UWJVRUOUTXNZSD-CQSZACIVSA-N 402.524 1.500 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCS(=O)(=O)CC1 1359015227 MIGGDUKXYACPLS-IRXDYDNUSA-N 410.540 1.286 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOc2ncccc2Cl)CC1 1359036207 QEUVTSUNSABGGE-INIZCTEOSA-N 416.913 1.665 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1359134293 RDZQLSBVSUQEIB-HXUWFJFHSA-N 420.602 1.664 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N(C)[C@H]1CCOC1 1359292954 BXWFKZAEMMJPBH-ZDUSSCGKSA-N 423.315 1.573 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1359294849 HCIJMWOYHJCSFI-UHFFFAOYSA-N 419.489 1.225 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1359319956 JIRKJIVRPWFZHS-UONOGXRCSA-N 417.432 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1359327552 FDDGIWHPRLSTQR-UHFFFAOYSA-N 420.495 1.422 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)NC[C@@]34COCCN3C(=O)COC4)cc2)cc1 1438554371 YALPACVRVAZGLE-QHCPKHFHSA-N 421.453 1.903 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1438772654 VRTZLAPTHWTZOG-UONOGXRCSA-N 410.540 1.700 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)CC2)C1 1439725541 CTQNCCQCRBACJY-UHFFFAOYSA-N 420.487 1.185 30 10 HDEE C[C@@H]1OC(=O)N[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1441893524 QMNZDNRGEJDGKC-VSPUHIHLSA-N 408.480 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1442881553 PVSNTUBYUFIBHF-QFIPXVFZSA-N 414.506 1.969 30 10 HDEE CN(C)[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1448058672 BFUZWOMCQCVHJK-OAHLLOKOSA-N 423.395 1.649 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)OC)s1 1450211777 JBFUDIPDACVQFJ-HNNXBMFYSA-N 423.516 1.050 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)c1 1451482665 JHFROJHRUSTJNA-CQSZACIVSA-N 419.434 1.973 30 10 HDEE C#CCN(C(=O)c1cccc(Cn2nc([N+](=O)[O-])cc2C)c1)[C@@H]1CCS(=O)(=O)C1 1456085403 LDAPYXFVJNVITN-QGZVFWFLSA-N 416.459 1.411 30 10 HDEE CC(C)c1ccc(N2CC[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2=O)cc1 1456222359 RASWICPZWVUMPB-CDXJDZJCSA-N 415.515 1.560 30 10 HDEE C=CCC[C@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1463732946 UQMYVBVYTVGSRE-KRWDZBQOSA-N 410.492 1.825 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OCC 1464387272 XFOAFEHIPQPAEK-GFCCVEGCSA-N 415.464 1.667 30 10 HDEE C#CC1CCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1469364218 CJOXGICGGGALKS-SFHVURJKSA-N 405.520 1.088 30 10 HDEE C=CCC1(NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CCOCC1 1469919638 AYPFUSVWPJXTOH-HNNXBMFYSA-N 402.900 1.221 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CCNC(=O)NCC(=O)NCC#N)c2ccccc21 1470093128 FOHDDDMGBKXTIM-CQSZACIVSA-N 401.467 1.854 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CC2)cc1 1470632398 KUPWINALKATZHM-UHFFFAOYSA-N 403.442 1.572 30 10 HDEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1471122975 BNQQUMGIKUHRDC-ZDUSSCGKSA-N 404.282 1.847 30 10 HDEE COc1ccc(CNC(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)cc1C#N 1471192026 PFBOOVKTRXVOCY-UHFFFAOYSA-N 402.476 1.962 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C=C[C@H]4C[C@@H]3CO4)CC2)cc1 1471293617 XXOIZVARRZNXLT-KSZLIROESA-N 416.503 1.165 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCC#C[C@@H]1CCCCO1)c1ccc(S(C)(=O)=O)cc1 1472312035 TZWMMZTVNIWWII-FXAWDEMLSA-N 406.504 1.130 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1477631275 RWJPDDJNEBNZNQ-LVCYWYKZSA-N 412.534 1.833 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493236010 UWBQIUKIEGAGJF-PLGXQAJASA-N 422.493 1.744 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1C(C)C 1503832992 AXRHFZJCWXSQCR-KRWDZBQOSA-N 402.524 1.991 30 10 HDEE COc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N(C)C[C@H](C)C#N)c1 1504319691 GDLWMWXOIMQGJY-OAHLLOKOSA-N 420.477 1.770 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504899318 DKNPFIYQUMNXFW-GUXCAODWSA-N 420.489 1.457 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1507532919 HMIDNGQCLVDRPP-RRFJBIMHSA-N 410.469 1.043 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCc2cn[nH]c2)c1 1507551353 WVNJQJPWYGSIIG-GOSISDBHSA-N 419.489 1.804 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCCC1 1507661208 PEFPKCXUCINJRM-QFIPXVFZSA-N 413.522 1.439 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CC=CCO1 1507703965 KRETYSSVTCJQRX-GHTZIAJQSA-N 404.511 1.750 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCOC[C@H]1OC 1507713751 WCECPLCINMSKQX-RTBURBONSA-N 416.526 1.277 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCC(=O)NC 1507809183 UJRDJSAIFBKVBY-JFRXWTBNSA-N 421.542 1.556 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1507926627 SZSHUEYIOBUVAL-KDOFPFPSSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2C)C1 1508087241 OFQZLSJSRQHOLE-ROUUACIJSA-N 424.505 1.418 30 10 HDEE Cc1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)ccc1F 1510638335 HSMFGDPNTGEMGN-HIFRSBDPSA-N 422.486 1.113 30 10 HDEE Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)n1 1511164749 GXHKRQPCFWDYHS-QGZVFWFLSA-N 414.535 1.866 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCC(=O)N1CCOCC1 1511888206 GPCZFGQRRCAIEP-UHFFFAOYSA-N 409.494 1.034 30 10 HDEE CCC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1512622984 MJTYGVNMVCRBBP-QGZVFWFLSA-N 421.505 1.400 30 10 HDEE CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1515336856 ZMMRVEUSAZTWHQ-HTXNQAPBSA-N 410.434 1.656 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)C1=O 1520809711 LQHQVMHRDOWWPU-INIZCTEOSA-N 417.437 1.479 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cn(C)nc2I)c1 1527625188 JQARBCLGZDOZRN-UHFFFAOYSA-N 408.199 1.375 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CC(=O)N2 1527645449 JGDXKABCGZLOIM-LBPRGKRZSA-N 423.360 1.944 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c1=O 1537417943 FCFXPYHQKICYQX-AWEZNQCLSA-N 409.320 1.915 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)COc1ccc(C#N)c(Br)c1 1537944183 IFJGQESKCAKUEZ-WDEREUQCSA-N 403.298 1.980 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(=O)(=O)CC 1539155531 VSHYWPAZWNXMSG-UHFFFAOYSA-N 413.507 1.344 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@H]1CCCO1 1539368666 ARYLSMTWZTVYTR-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2CCC(=O)NC)CC1 1539462529 IDXLBNRUCIZHRR-UHFFFAOYSA-N 412.563 1.770 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539586180 JCFRKRFGKPUJSN-KBPBESRZSA-N 403.284 1.964 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540036878 WDRDBJDZVDXYPN-LJQANCHMSA-N 423.521 1.968 30 10 HDEE C=CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1540081292 XUVDTFDWFNJPOF-INIZCTEOSA-N 407.515 1.912 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1545315897 YHQXUQRVPPSCJI-HNNXBMFYSA-N 412.439 1.306 30 10 HDEE C=CCNC(=O)CNC(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1546179497 NMAGAOGTSUVFPR-AWEZNQCLSA-N 406.487 1.272 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCC(F)F)CCOC1 1547891052 ADHRPSAZZVEMEH-SJORKVTESA-N 403.405 1.654 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OCCOC 1548185605 WSCLAWXEMFWAHP-QGZVFWFLSA-N 401.467 1.617 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1554138796 PJMLXMQXRZGVQA-SQFISAMPSA-N 424.387 1.204 30 10 HDEE CN(Cc1ncnn1CC(F)F)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1 1554203571 VQPVJXVPHVTTPS-UHFFFAOYSA-N 414.420 1.835 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1555719630 HKILQCQZPOYKDU-IRXDYDNUSA-N 413.434 1.594 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCOc2ccc(OC)cc21)c1cc[nH]n1 1556125838 DJBCIZQFPVNYKQ-CQSZACIVSA-N 402.407 1.342 30 10 HDEE COCC#CC(=O)N[C@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 1556483616 XSIOQVXDJWRDFG-AWEZNQCLSA-N 415.309 1.368 30 10 HDEE C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1557187907 PXIVTQSRHOHKII-VXKWHMMOSA-N 406.442 1.484 30 10 HDEE CC(C)(C)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1557404298 GGZVBXVSJOTDKR-UHFFFAOYSA-N 409.483 1.844 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2csc(S(N)(=O)=O)c2)cc1 1558006397 VISNIAYIYBLPLU-UHFFFAOYSA-N 401.491 1.112 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCc4nnnn4CC3)CC2)c(Cl)c1 1564948059 DXYBPVLGUXIRTI-CQSZACIVSA-N 400.874 1.435 30 10 HDEE Cc1c(C(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cnn1CCC#N 1565618360 UMLNHIRANZYGPH-UHFFFAOYSA-N 400.527 1.560 30 10 HDEE CC1(C)[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C[C@H]1N1CCOCC1 1583343344 UOEJSYKKPKNIOD-QZTJIDSGSA-N 405.520 1.089 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1 1583545483 BTGMZLZPOJLDOI-YJLNNSPDSA-N 414.487 1.657 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1587640733 UXOSFMFUZMSHIY-HOTGVXAUSA-N 407.540 1.041 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1593741597 SSVLEPJSVXSMBJ-KSZLIROESA-N 420.558 1.367 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1595475484 CUXUECUCHBBZRL-KRWDZBQOSA-N 401.515 1.422 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595550962 KHIFJMOJDXGMCQ-UHFFFAOYSA-N 404.559 1.862 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CC1CCOCC1 1595784606 JOMWBGZQVXUAIN-UHFFFAOYSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1595799058 WOKJKGSXQHYKFK-BBWFWOEESA-N 409.556 1.056 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1610466180 SUQJZSSSSRFWIR-TYCQWZJGSA-N 416.526 1.727 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCCC2(C)C)CCOC1 1616260582 DKRYVHDACIFTMK-ZLGUVYLKSA-N 419.526 1.600 30 10 HDEE COc1ccc(Oc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc2)cc1 1616336091 KVEHDNWKCVELKX-VBKZILBWSA-N 413.455 1.893 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)O2)[C@H]1C 1616747243 DTPGMCXVKRWDRG-JTWUUNPKSA-N 421.519 1.581 30 10 HDEE COC[C@@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1619610021 KXDBQRXCIXVXKO-JSGCOSHPSA-N 402.496 1.003 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)c2cc(-c3cccc(C#N)c3)no2)CC1=O 1625688719 ICVMHXBGWPNZRS-KRWDZBQOSA-N 411.462 1.122 30 10 HDEE C#CCCOc1ccc(C(=O)N2[C@@H](C(=O)NCCC(=O)OC)CS[C@@H]2C)cc1 1625964095 JDEUTUORZGKTFX-RHSMWYFYSA-N 404.488 1.672 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1 1627429136 REUZODQOCLUAJJ-KZULUSFZSA-N 414.443 1.089 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCOC)cc2)cc1 1627847978 DCJJSELWUPHWFL-UHFFFAOYSA-N 402.472 1.553 30 10 HDEE CCO[C@H](C)c1noc(CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)n1 1629921511 CROIHFCNUBGNSQ-LLVKDONJSA-N 410.427 1.876 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@@H]1NS(C)(=O)=O 1631744542 GXNBSPDSZIYOPB-RDBSUJKOSA-N 423.963 1.856 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@H]2Cc2ccccc2)CC1 1632091827 KJBHFOYITMUWNF-RBUKOAKNSA-N 404.536 1.193 30 10 HDEE CC(C)NS(=O)(=O)NCCNC(=O)c1cccc(CNc2ncccc2C#N)c1 1632860198 CIVPFFLWRGTEKN-UHFFFAOYSA-N 416.507 1.128 30 10 HDEE CCc1ccc(CN2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)s1 1633991525 UHSPIBLWQBEHIQ-UHFFFAOYSA-N 401.492 1.179 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1 1636031192 RGFZIDDVJSPERX-ZWKOTPCHSA-N 409.529 1.665 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@]3(C#N)CC3(C)C)CS(=O)(=O)[C@@H]2C1 1636871473 NDZRMBWMSQMAKX-FORMXFIPSA-N 411.524 1.465 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)C1 1638075505 QTUPCBPVSVJKIQ-YIDVYQOGSA-N 411.424 1.186 30 10 HDEE C[C@@H]1CN(CCO)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1639023068 DITUCQFZRAQVDC-BAQZJKQNSA-N 406.527 1.298 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CCOCC1 1640487305 PXHHOSDORDSJSE-MTIYJEKLSA-N 410.474 1.226 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(O)C1=O 1641379403 XKZDFCKRHHEALS-HZPDHXFCSA-N 402.451 1.710 30 10 HDEE C#CCN(C)CCCNC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1641723971 NUNYNPFJAWVHII-QFIPXVFZSA-N 407.555 1.990 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 1643437233 ROZNMFDPGZSLBT-WKILWMFISA-N 415.475 1.133 30 10 HDEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1645754721 XOPBWHYUKJWALU-OAHLLOKOSA-N 407.414 1.436 30 10 HDEE C=CC1(CC(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1648014630 SUASZSBDRGTCHL-KGLIPLIRSA-N 401.529 1.183 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(C[C@H](O)CC3(C#N)CC3)CC2)cc1 1653782459 SGVYOUHMBZIRGD-MRXNPFEDSA-N 411.549 1.522 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 1655188476 AHIYZLINIPXJLK-HNNXBMFYSA-N 401.485 1.194 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1657275234 VPNJRIOJHCCNKS-OAHLLOKOSA-N 419.503 1.166 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)c(C#N)cn1CCOC 1670537189 DGJJGWHWLSQZKU-GJZGRUSLSA-N 417.466 1.458 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(OC)cc2OC)C1 1671459082 MGYXSEOAYIRSEP-LBPRGKRZSA-N 417.325 1.842 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 1682938371 HVELYJQMTRPZBJ-GOSISDBHSA-N 424.480 1.486 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1)C1CCOCC1 1684029263 DIHGYJMQZPFZGX-UUKMXZOPSA-N 404.555 1.437 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 1684280514 LQGRLGBLYVYPII-UHFFFAOYSA-N 411.510 1.599 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@]3(C)OCCc4ccccc43)CC2)c1C#N 1684856919 SEXXHAYVGXZSLR-JOCHJYFZSA-N 408.506 1.920 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 1685578991 RNTAGBKTCYPHJE-OAHLLOKOSA-N 409.450 1.303 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](C)c2ccc(S(C)(=O)=O)c(OC)c2)CC1 1685711125 PAESNOMUUQJCGC-AWEZNQCLSA-N 421.519 1.331 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H]1c1ncc(Br)cn1 1685845761 KQNSFMUNTKDGSC-GFCCVEGCSA-N 403.302 1.686 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1689859286 XTDKUUVPXMPJOQ-INIZCTEOSA-N 421.505 1.683 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1689990198 MQQQOANCNSIIDG-RCCFBDPRSA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1690017497 FRLMETHJPVXKSG-OALUTQOASA-N 423.492 1.728 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCc1nc(C)no1 1690052355 HBTSBELEZZGXTG-UHFFFAOYSA-N 406.494 1.927 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1cn2ccccc2n1 1690099894 PHKSXGWLXFGXGA-UHFFFAOYSA-N 404.478 1.655 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(C)(F)F)CC1 1690135356 UOUBDEBAJDPWKY-UHFFFAOYSA-N 422.480 1.525 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(Br)n2)CC1 1690138037 QMEUKVKSQKWQRL-UHFFFAOYSA-N 417.311 1.758 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690175098 PWWZMVPSKARYSZ-ROUUACIJSA-N 405.568 1.307 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1690265965 WTIMQTLBBRUTEV-HAWMADMCSA-N 414.597 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1690661961 MLPVLHSBXUUQSX-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1692433413 CBGIARFGEUIJEY-YLJYHZDGSA-N 416.505 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(C)(C)O 1705595721 DEJSBGRZIVUYLD-UHFFFAOYSA-N 418.501 1.816 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1705611181 SOWLOJICZKQYOS-QFIPXVFZSA-N 424.505 1.439 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)COC)CC1 1705647171 ADUNANGZURJSMG-WMZOPIPTSA-N 403.527 1.420 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1705659071 KPYQTOVRGUESIJ-KSVNGYGVSA-N 419.551 1.368 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705752643 BWWLIHVQDOKJKI-INIZCTEOSA-N 414.897 1.944 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1705791670 BBZGABGSLCIUNM-QGZVFWFLSA-N 404.559 1.642 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N[C@H](C)CC)C1CC1 1705854214 IYADCELWDPXWTI-CABCVRRESA-N 409.556 1.640 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(Cl)nc2C1 1705903486 WYRAXFWZWIUNRK-CQSZACIVSA-N 402.886 1.695 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnnn2C)C1 1705917790 XTEJTJYNTHEXMK-PXNSSMCTSA-N 417.514 1.277 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cnnn2C)C1 1705917791 XTEJTJYNTHEXMK-XLIONFOSSA-N 417.514 1.277 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2CCOCC2)C1 1705928242 CDRUPCZPNJMUAS-SFHVURJKSA-N 403.527 1.999 30 10 HDEE CCOCCn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1710827885 CGKSXGLSLYJPCN-UHFFFAOYSA-N 405.466 1.365 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1712390170 IWNSCTPILIFQDH-UHFFFAOYSA-N 405.462 1.510 30 10 HDEE COCCN(C)CCn1c(Cc2ccccc2OC)nnc1N1CC[C@@](F)(C#N)C1 1712425192 BATWOJRKKKHQCQ-OAQYLSRUSA-N 416.501 1.898 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCCOCC2CCOCC2)CCO1 1712884595 OUJSKPPFPIWVQI-GOSISDBHSA-N 412.494 1.902 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722332233 GRMGJYLYYWHGNT-SJORKVTESA-N 415.519 1.646 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1 1722372669 CDHQCFRSONSHAX-OAHLLOKOSA-N 401.492 1.018 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCCNC(C)=O 1722417411 GRTFBYFOLXISQK-UHFFFAOYSA-N 414.485 1.721 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722459865 SNCMTPPXQDYBES-QGZVFWFLSA-N 413.551 1.573 30 10 HDEE C=CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1722622216 HSGLZQRWAJTVIK-VQIMIIECSA-N 412.556 1.910 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1722627597 LWSRWTOIGUZSTI-UHFFFAOYSA-N 411.510 1.569 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1722685014 JLPPXXIQSZKWBQ-OAHLLOKOSA-N 400.508 1.829 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCC2CC2)CCOC1 1723665394 VBJOYVZTBRSAJN-QRWLVFNGSA-N 404.515 1.583 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCC(=O)NC1CC1 1729408231 AJLPPFBGJZJKLG-GOSISDBHSA-N 421.505 1.796 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1=O 1730787581 ZDMTUJQJJPFYAF-QGZVFWFLSA-N 416.457 1.096 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1731142042 ZETDHBMBQQXSNR-ZTFGCOKTSA-N 415.519 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cn(C2COC2)nn1 1740541997 MIZMXRIACVXICA-CQSZACIVSA-N 423.477 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1740550416 PZTBMYFEAVZYCO-ZDUSSCGKSA-N 407.478 1.824 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(C)c1 1740556138 AWEHPGHDYUMFFT-KRWDZBQOSA-N 408.506 1.597 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(C)COCCO1 1740687192 VCGQVAQYCJYHIN-NRFANRHFSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C2CCCCC2)N(C)C)CC1 1740695153 GXCAIZAAAXIPHH-NRFANRHFSA-N 424.597 1.944 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@](C)(O)CCC)CC1 1740698288 QNRVTMWLCLRQRG-HSZRJFAPSA-N 421.549 1.823 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)SC)CC1 1740704172 JHTYLRPSNAOTRQ-UHFFFAOYSA-N 415.567 1.786 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740719543 OLVPRUPCRNWIBR-SFHVURJKSA-N 412.563 1.935 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)NC)CC1 1740720105 XOZLSSJKHIHQPP-UHFFFAOYSA-N 416.526 1.836 30 10 HDEE C=C1CCN(c2nnc(COCC)n2Cc2cccc(S(=O)(=O)NC)c2)CC1 1740829069 JDDBDEAYSXUOLL-UHFFFAOYSA-N 405.524 1.927 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740876425 RWISQKYCGQXXKC-RTBURBONSA-N 416.570 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740953942 WOHRHYDNAPOXJO-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1740960429 RHKRNWADOIXYMS-VFNWGFHPSA-N 415.469 1.321 30 10 HDEE CC(C)c1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCOCCCO 1741372933 IJBOTFKYCVDFCA-UHFFFAOYSA-N 412.538 1.994 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1748658853 YRZOURTYLDDRNH-GJZGRUSLSA-N 418.519 1.855 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CC(=O)NCCC)c1 1748692931 SOEOHCRTAAVIFL-KRWDZBQOSA-N 424.505 1.364 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(N(C)C)CCCC1)[C@H]1CCS(=O)(=O)C1 1748802899 SYVNYIXEGZTDCC-KRWDZBQOSA-N 407.584 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1748953702 RWEXKGGTHIUZHX-HSZRJFAPSA-N 418.501 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)c2cccs2)CC1 1748987250 QLWBZSXGDBEWKT-UHFFFAOYSA-N 409.519 1.520 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749038959 NDIRRMWONUGKEF-IAGOWNOFSA-N 402.524 1.250 30 10 HDEE C#CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1749049242 ZWZXDWQHZFUHOU-HNAYVOBHSA-N 408.524 1.296 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H](C)C(=O)NC 1749135887 JGYCQRXOVIUIKB-GJYPPUQNSA-N 418.542 1.200 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1749627776 YTHUCIGNLNYMIO-SFHVURJKSA-N 416.570 1.929 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1Nc1cnn(C)c1 1749677534 BYQNCJFBJRYSPD-UHFFFAOYSA-N 400.468 1.049 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCCO[C@H](C)C1 1749738115 GCXPCIWIZZXTDI-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)CCCO1 1749829284 VCHQPXSPEPOGFJ-FQEVSTJZSA-N 416.482 1.941 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCC[C@H]2CO)CCO1 1750386954 QIJGTXSPIAFWKU-GBESFXJTSA-N 418.542 1.138 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1751094135 FAKLNKCRBUYPBF-CQSZACIVSA-N 411.466 1.731 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1751095885 HSGLRNIMIFDCHO-NVXWUHKLSA-N 402.524 1.827 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1751276566 CJYASIYBAKFWKF-VQIMIIECSA-N 407.540 1.737 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1752445771 GSHGBVOJPBLWRU-VHKYSDTDSA-N 403.433 1.990 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1760125530 QVYKCDMDZJGBAL-AXHMDWHKSA-N 424.567 1.204 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1760185340 VUIFDGAWIWVZGI-INIZCTEOSA-N 403.508 1.393 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1760202276 YPMBMYJIQRDOCF-PMACEKPBSA-N 404.518 1.913 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1760233042 PKTGDVLYCHUAKB-INIZCTEOSA-N 419.489 1.968 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1760263220 SKZJRSHHILEKIR-GOSISDBHSA-N 405.568 1.201 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760449580 OFRCRMDCNJXCSP-DYESRHJHSA-N 418.542 1.123 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760449582 OFRCRMDCNJXCSP-UTKZUKDTSA-N 418.542 1.123 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1760495750 WFWOUFHWQNNVIX-INIZCTEOSA-N 423.564 1.899 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCS(=O)CC1 1760516005 UTNWWGMEAOSVOT-KRWDZBQOSA-N 401.536 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2F)CC1 1760523138 NDUCLAWQXMYKGQ-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ncccc2C)C1 1760534768 GBASZLWELXXZOM-JKSUJKDBSA-N 420.539 1.421 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2cn[nH]c2)C1 1760547634 OLBQCHJSLRSCFA-KSZLIROESA-N 402.499 1.749 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccoc1 1760557259 FUIPHDFGBXQIBO-UHFFFAOYSA-N 418.523 1.970 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1760695507 IMLWJRMEUVTBQE-OWCLPIDISA-N 412.485 1.734 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccs2)CCOC1 1761290539 BIQVYICVEQPUTG-KBXCAEBGSA-N 404.496 1.552 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1763198638 HBMJMURUWOKCHF-ZIFCJYIRSA-N 411.510 1.568 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1768797026 ZIACTQOOWMIBTM-ZDBRSUKYSA-N 416.526 1.965 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)CC1(C)C 1769089496 CJGBYABKMMXKFJ-AVRDEDQJSA-N 410.522 1.745 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CCO1 1769489864 ABMXSUDJHGMLBX-MOPGFXCFSA-N 413.478 1.474 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@H]2CCCCO2)c1 1771531558 SQVIZJRHOSXMPZ-LJQANCHMSA-N 424.505 1.857 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CCOCCCO)cc1 1771532092 PFBYQEBNPOBWCW-UHFFFAOYSA-N 412.494 1.308 30 10 HDEE C[C@@H](C(=O)N1CCC(COc2ncccc2C#N)CC1)n1nnc2ccccc2c1=O 1849721347 VTJITLZNGVWZJV-HNNXBMFYSA-N 418.457 1.937 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCC(=O)N(C)CC2)[C@H]1c1ccc(C#N)cc1 1849832726 UJWLVDGMKLCZLV-WOJBJXKFSA-N 414.531 1.642 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC1(C#N)CCOCC1 1850462766 ZUCWCYHWDHSEKF-LLVKDONJSA-N 403.863 1.582 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(Cc3ccc4c(c3)OCO4)CC1)OCO2 1852182711 BSADOENELOWEFF-UHFFFAOYSA-N 407.426 1.903 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2ccc(C#N)cc2)C1=O 1853745190 RUPVWPFGFVUBBB-QZTJIDSGSA-N 403.504 1.587 30 10 HDEE COc1ccc(OC)c(CN2CCN([C@H]3CCCN(C(=O)CC#N)C3=O)CC2)c1 1854006304 WJTMFZITZDNRQH-SFHVURJKSA-N 400.479 1.253 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(Cn4cccn4)CC3)CC2=O)CC1=O 1854562874 DEIIAJYQHJOBOK-RTBURBONSA-N 413.522 1.005 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)cc1 1854626655 KFOWZXOGSBDPQA-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855012342 ZSOMEESSPWMCKE-ROUUACIJSA-N 411.568 1.464 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C1=O)CC2 1855022490 BKVLMWDTMGSMLT-NVXWUHKLSA-N 412.469 1.195 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)cc1 1855644457 RHHPSAAEGRLLLX-APWZRJJASA-N 408.502 1.909 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn(C(F)F)c2)CCN1CCOc1ccc(C#N)cc1 1855879134 KMBHMZMZVFAMHX-ZDUSSCGKSA-N 403.389 1.902 30 10 HDEE N#CCC(=O)N1CC[C@H](N2CCN(c3ccc(-c4ccc(Cl)cc4)nn3)CC2)C1=O 1856432097 HIEXHNSYVLIZLW-SFHVURJKSA-N 424.892 1.960 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)c3nccc(N4CCOCC4)n3)C2=O)CC1 1856538449 ICGYJJSKHGUMQO-KRWDZBQOSA-N 412.494 1.070 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CC(Cc4ccccc4)C3)CCC2=O)CC1=O 1857068060 LRTAUWIILVXIFS-FPOVZHCZSA-N 409.530 1.961 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(CCn3cc(C)cn3)c3ccccc32)CC1=O 1857264364 GKQSVFSFLUAOPZ-QGZVFWFLSA-N 407.474 1.606 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C(F)(F)F)nn2C)[C@H]1c1ccc(O)c(O)c1 1864014928 GIITXDMOVDHMQO-LLVKDONJSA-N 410.352 1.847 30 10 HDEE C[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](c1ccc(O)cc1)N(C)C 1869927850 FVNXTCOQUWIBKR-DYVFJYSZSA-N 416.503 1.238 30 10 HDEE O=C(O)CCc1nnc(S)n(/N=C/c2ccc(OC(=O)c3ccco3)cc2)c1=O 1873497929 GIUQROKQJBVIDO-VXLYETTFSA-N 414.399 1.639 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cccn1C 1874434882 BVQQKJLQPQTHKS-CIAFOILYSA-N 419.555 1.876 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874448701 JWKOCTHZCQVUAK-BFNDQCEFSA-N 422.463 2.000 30 10 HDEE C=C(I)CS(=O)(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 1883742294 LKTTZJIBPQZNCV-QMMMGPOBSA-N 419.237 1.328 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc3c(=O)n(C)n(C)c3c2)CC1 1890068931 ODWKCYDNPKJMNQ-UHFFFAOYSA-N 404.474 1.885 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)c2ccc(N3CCOCC3)nn2)CC1 1891010992 YBBAUWMFOPVNHJ-UHFFFAOYSA-N 407.478 1.321 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCO[C@H]21 1982297842 IYYADLUAURUNNN-IRCOFANPSA-N 411.318 1.495 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985145113 PVPPMPPTYKGRFE-IPMKNSEASA-N 414.506 1.905 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C#N)ccc1Cl 2118171208 UPWZOJDFZPPTPO-OLZOCXBDSA-N 401.872 1.782 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180893688 FWYPZUXFEYWQGK-SNVBAGLBSA-N 418.903 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H](CN)c2sccc2S(C)(=O)=O)[C@H](C#N)C1 2194942254 UPYQLRXYJDGJCN-CHWSQXEVSA-N 414.553 1.596 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@@H]2C[C@H](C1)[C@@H](CO)[C@H]2NC(=O)OC(C)(C)C 2239321553 VBNWWVURQICJSE-BARDWOONSA-N 401.529 1.319 30 10 HDEE Cn1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2243389662 WKOQLZKMRZOVCZ-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674309 HRLJVWOFHJLWKW-VLIAUNLRSA-N 408.304 1.667 30 10 HDEE Cn1nc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2247817637 OQVAHEVOAFJSMN-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247822422 FFTMPSCLEVSELH-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247823304 NGIOZFMNWDRQFW-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055052 KDCPYYYGZZMUBN-CHWSQXEVSA-N 418.303 1.561 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1F 2248406477 YTNNTGALWSEOFJ-AWEZNQCLSA-N 424.278 1.949 30 10 HDEE Cn1ncc(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)c1B1OC(C)(C)C(C)(C)O1 2255829471 PMUGIEVMWROWNU-SBUREZEXSA-N 422.338 1.724 30 10 HDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CCC2(CC1)OCCO2 2281811865 KKCBVOQGLBQXBB-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2281826326 FYHFEIQKFFHCBN-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H]([C@@H](C)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314543 AWLGJSOMRXTNLM-OLZOCXBDSA-N 401.359 1.747 30 10 HDEE C[C@@H]1OCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282500406 KRPSSUYZFUWGLG-NEPJUHHUSA-N 402.347 1.381 30 10 HDEE CN(C[C@@H]1CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282503474 APBOSAFTPUKUDA-ZDUSSCGKSA-N 401.359 1.845 30 10 HDEE CCCCN(CCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503544 BRARKDWSYCQRJW-UHFFFAOYSA-N 404.363 1.367 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCNC[C@H]3CO)sc2Cl)OC1(C)C 2282618756 OFDUARHKGJVJEH-CMPLNLGQSA-N 400.737 1.401 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCOCCO 2282846525 LCPNJXMPHBHSKE-UHFFFAOYSA-N 405.347 1.033 30 10 HDEE C[C@@H](CC(=O)N(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849223 XYAIUKQWAXEMLT-NSHDSACASA-N 402.347 1.192 30 10 HDEE C[C@@H]1COC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881877 DIQSVGANONZFQK-OCCSQVGLSA-N 401.359 1.844 30 10 HDEE C[C@@H]1C[C@@]1(CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284411870 PIPIHBSUJGGVMG-HWPZZCPQSA-N 401.315 1.436 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286901082 HMAJNWXBRBREAE-TZMCWYRMSA-N 400.375 1.607 30 10 HDEE C#CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1OC 2297454167 ZKKZAPVVXMPPRP-UHFFFAOYSA-N 409.261 1.726 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H]1NC(=O)OCc1ccccc1 2317411345 UKIYVSQYWQRREZ-MBOZVWFJSA-N 408.520 1.221 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1OC 2330773109 WWVJSOWZRBYCJH-UHFFFAOYSA-N 407.452 1.079 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccn1C 2331273795 TXJKEOYZRUZOBN-UHFFFAOYSA-N 402.480 1.689 30 10 HDEE C=CC[C@@]1(CO)CCCCN1C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360589696 AJCGZCZXNGABGM-KDOFPFPSSA-N 404.529 1.244 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](F)C3=O)c(Cl)c2)OC1(C)C 2365706827 HMNKQFMVCUKAJC-GFCCVEGCSA-N 403.668 1.898 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367791953 ZFZHTXTXIYSRRB-GJZGRUSLSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792863 SCQRKICCRNLDKS-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCC[C@H]1NC(=O)OC(C)(C)C 2367813918 BGXHGKDJJLHKHL-CLCXKQKWSA-N 400.541 1.353 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(Br)c1)Cc1nnnn1C 2377292311 APPPXBUEQXDCEV-UHFFFAOYSA-N 422.136 1.904 30 10 HDEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)OCC(=O)N1CCC(c2ccccc2)=N1 7674103 LIQVJOSSNUXGTG-UHFFFAOYSA-N 406.442 1.976 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2O)n1)NCCO 59815644 XMNDYXAMHCBKNU-YAXRCOADSA-N 405.267 1.464 30 10 HDEE Cc1nn(C)c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccco1 102740989 IFSSZULOEMUMHL-VZCCSQPZSA-N 414.462 1.384 30 10 HDEE CC(C)(/C(N)=N/O)N1CCN(Cc2ccc(I)cc2)CC1 115901402 IYUYZXHDGXKTRM-UHFFFAOYSA-N 402.280 1.934 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1 437511056 AIKNJLCTBVNWLY-IAGOWNOFSA-N 410.540 1.525 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3c(F)cccc3F)C2)CC1 446873131 ODICEWQRYYIKCB-HNNXBMFYSA-N 407.465 1.173 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C1CC1 447270922 KPDCBHVWOCKXHT-UHFFFAOYSA-N 421.320 1.469 30 10 HDEE CSC[C@H](C(=O)NCCOc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 460283942 WACXYXSTHNBCEI-KZNAEPCWSA-N 415.515 1.960 30 10 HDEE CCOCc1nc([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)no1 462304062 UZZVNMJAQCQQIW-STQMWFEESA-N 400.443 1.249 30 10 HDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](C)n2cnc(C#N)n2)CC1 467068545 FNUNVIYNINQQAQ-SUMWQHHRSA-N 416.869 1.423 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc(C#N)ccn3)c(Br)cc21 473759580 VCMWOMDTGNTGAP-UHFFFAOYSA-N 422.264 1.707 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(C)c2=O)cc1C 478842815 GCZUFKOCTVBYLX-INIZCTEOSA-N 412.511 1.571 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H](O)Cc3ccccc3)CC2)cc1 485463716 IQJUSHCUBDDCRA-IBGZPJMESA-N 413.499 1.385 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)cc1C#N 489112685 CJMFVTMCBJKCQZ-UHFFFAOYSA-N 402.451 1.938 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3c3noc(COC)n3)cc2C1=O 501962134 YGGLJRLTJBMVFM-HNNXBMFYSA-N 412.402 1.212 30 10 HDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC(C)(C#N)CC1 503809043 FJTBHIASTNSDKF-UHFFFAOYSA-N 401.510 1.771 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 505674144 PWJHPGRJZHBJIW-UZLBHIALSA-N 406.504 1.596 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)CC1 507498887 RFAVKIHFWUGSJE-UHFFFAOYSA-N 405.442 1.455 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 508995336 BVDSHLPPJOHFPT-INIZCTEOSA-N 405.524 1.556 30 10 HDEE CN1CCC[C@@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 521232717 YOXOIFOXUPMCLK-CYBMUJFWSA-N 400.826 1.073 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)CN1CC[C@H](NC(N)=O)C1)CCCC2 536491293 LLCHRXHFZYOFOI-GJZGRUSLSA-N 414.510 1.099 30 10 HDEE CCOc1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1S(=O)(=O)N1CCCC1 537301692 JXSBGECETYFKGD-CYBMUJFWSA-N 418.479 1.533 30 10 HDEE CC#CC[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)O 541004299 VPLDOPVGTHNMAH-QMMMGPOBSA-N 402.226 1.176 30 10 HDEE CN1C(=O)C[C@H](NS(=O)(=O)c2cncc(C#N)c2)[C@@H]1c1ccc(Cl)c(F)c1 566884061 ARZVFTXZAXSSHC-RDJZCZTQSA-N 408.842 1.996 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)c(F)c1 587862114 IROIBDCSJDEDHZ-MAUKXSAKSA-N 400.454 1.420 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CC1 611244100 ALNOXQIAZQHMAD-PCIYFURRSA-N 403.571 1.720 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCN(c2ncccc2C#N)CC1 725796786 XTQMVKXHZWQIHA-ATVHPVEESA-N 401.492 1.055 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O 730145033 VGDYQSQKNWMCRG-GOTYSUTNSA-N 417.579 1.935 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 731475975 SWBCKSMKALXCNF-IBGZPJMESA-N 413.499 1.027 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CCN1C1CC1 732664799 OQFBPDICLLZRLA-HXUWFJFHSA-N 424.526 1.977 30 10 HDEE CN(CCCC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C1=NS(=O)(=O)c2ccccc21 741930019 YZYUUVXTHAGWFQ-INIZCTEOSA-N 415.519 1.046 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccc(C#N)cc2)cc1 746530938 ARNSWILMNDOBPS-UHFFFAOYSA-N 415.471 1.395 30 10 HDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(C)cc1)c1cccc(C#N)c1 751623250 PUGPXPZZJJROPG-IBGZPJMESA-N 416.455 1.993 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 752408682 NPFKWCZEQZNCMG-OAHLLOKOSA-N 405.520 1.028 30 10 HDEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)ccc1OC 752591659 DSEYWFTXHOLJDE-UHFFFAOYSA-N 402.432 1.107 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccccc2)C1 760302012 QLOUUTXEFXGGIG-CABCVRRESA-N 403.508 1.558 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1 760551324 LMKSHTOYXLGVQO-INIZCTEOSA-N 400.483 1.158 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 771270737 UCAGKHRSLZWLJV-QFIPXVFZSA-N 422.441 1.529 30 10 HDEE CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCc2nnnn2C)c1 771538914 KLJYTYLTVPUSDV-CQSZACIVSA-N 401.496 1.083 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 772923884 KMEMPYAEXGDJTP-DZKIICNBSA-N 422.507 1.208 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@@H]1CCCO1 783942099 HYKKNAZOCWJLEA-HNNXBMFYSA-N 409.496 1.363 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)c(C)c2)n1 788693392 ARILKTGTRBVCOY-UHFFFAOYSA-N 405.476 1.449 30 10 HDEE C#CCN(C(=O)Nc1cc(F)c(N2CCOCC2)cc1F)[C@H]1CCS(=O)(=O)C1 806743199 NPHQBVINMIOGGP-ZDUSSCGKSA-N 413.446 1.456 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CNC(=O)c3cccs3)n2C)n1 809868387 IOQWBDRLKXLKCS-UHFFFAOYSA-N 413.507 1.289 30 10 HDEE Cc1nsc(N2CCN(CN3C(=O)N[C@](C(C)C)(C4CC4)C3=O)CC2)c1C#N 811786050 OEXOHSBJCPZAHC-LJQANCHMSA-N 402.524 1.759 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC/C=C/CNC(=O)OC(C)(C)C 812471756 DPYJXOXNEDSFTP-LLYBFZRZSA-N 415.498 1.649 30 10 HDEE C#C[C@H](NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccc(F)cc1 813056299 SEGJRWPNJVNGGS-SFHVURJKSA-N 410.453 1.328 30 10 HDEE C#CCN(C)c1cnc(-c2noc(CCNS(=O)(=O)c3ccc(C)cc3)n2)cn1 813342956 RNYHHLDSQSUEKC-UHFFFAOYSA-N 412.475 1.425 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1cnn2c1OCCC2 816204177 VIWYSXSYZNOCSW-UHFFFAOYSA-N 401.404 1.348 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)Cc3ccc(C#N)cc3F)C2)n1 856587066 LCSOHONTHVPPSL-SFHVURJKSA-N 408.455 1.542 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)[C@H](C#N)C(=O)Nc3cc(Cl)cc(Cl)c3)cnc21 916944683 KWQXGZDJCRCEOM-LBPRGKRZSA-N 419.228 1.784 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)Cc2cccc(OCC#N)c2)C1=O 1132647144 FXZSMHRZJLYWOR-GOSISDBHSA-N 415.490 1.970 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CCO1 1134490105 KPHIOAQDYLYBCD-KRWDZBQOSA-N 405.252 1.690 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CC[C@@H](N3CCN(C)CC3)CC2)c1 1138625092 FKDXKLLYUZHOTK-BGYRXZFFSA-N 417.575 1.772 30 10 HDEE CN1C[C@H](O)C[C@@]1(C)C(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1144763095 KTKOTNNVQUNOFN-LMMKCTJWSA-N 421.339 1.613 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CS1(=O)=O 1146272492 ZUWYJHSQHOOTKG-ZYHUDNBSSA-N 401.282 1.781 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nncn3C)CC2)c1 1156121778 UGPMVNCGSQCBQT-UHFFFAOYSA-N 403.508 1.374 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@H]1CCCN(O)C1=O 1159641237 HRVQGKRUAIFWMV-ZWNOBZJWSA-N 419.297 1.355 30 10 HDEE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176710035 NDBNHRBNOBOFGC-SUMWQHHRSA-N 416.330 1.822 30 10 HDEE CN(C[C@@H](O)CN(C)S(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 1213408295 LBOCWUGRNAJKGV-CYBMUJFWSA-N 401.460 1.546 30 10 HDEE C#CCN1CCC(NC(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1220927775 RLYMIENKTAHQHJ-UHFFFAOYSA-N 418.563 1.545 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 1251708626 VFXNQJUYAVMBDI-QGZVFWFLSA-N 400.527 1.992 30 10 HDEE CS(=O)(=O)c1cccc([C@H](NC(=O)NCC#CCO)c2cc(F)ccc2F)c1 1254503272 QCHGRHXEANSNSK-SFHVURJKSA-N 408.426 1.753 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1286279021 IUUFPOUBBCYKMM-CVEARBPZSA-N 418.567 1.603 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1286284858 HUEHNBBNRGXZOY-CQSZACIVSA-N 417.539 1.174 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1286347253 JAJSZYOUHZWZPI-OWCLPIDISA-N 416.526 1.992 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286354796 WABTXCLXPJBKQP-QGZVFWFLSA-N 412.519 1.553 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCc1cnn(C)n1 1286374529 NSCYTCQXCDZHOP-UHFFFAOYSA-N 420.525 1.283 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)COC2)[C@@H]1CCS(=O)(=O)C1 1286391766 DPPZDJRWRDREDJ-GOSISDBHSA-N 400.504 1.546 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1CCCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286393062 JJFSODDSJLJBTL-QZTJIDSGSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(CC)CC 1286432072 WWHBCPXWYBPXLJ-ROUUACIJSA-N 405.568 1.373 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@@]1(O)CCOC1 1286455920 JWRLWGADQZXKLE-NRFANRHFSA-N 408.437 1.665 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC1 1286468719 HALBQRVIBPKKKA-HNNXBMFYSA-N 403.508 1.392 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2cn[nH]c2)CC1 1286492857 KAEUMVAPCDQVHC-SFHVURJKSA-N 411.510 1.451 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCn2nc(C)nc2C1 1286546283 IAXIKXLKPYMENH-WBVHZDCISA-N 414.514 1.318 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCn3ccnc3C2)CC1 1286637999 RMGBITZSUHSPKE-CVEARBPZSA-N 419.555 1.504 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1286803579 FAJRRSPXEBIRKC-MEUCICPISA-N 423.477 1.581 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CCC3)C2)nnc1[C@]1(OCC)CCOC1 1286824880 JUVJHRZONIIAIE-FQEVSTJZSA-N 424.567 1.911 30 10 HDEE COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1298666193 PZJNQUNHLXBJDJ-HZPDHXFCSA-N 404.467 1.863 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1299675185 LVWHTKBXCPKLAT-FZMZJTMJSA-N 408.398 1.571 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1 1299999818 UCYQRXBIZGANHC-OAQYLSRUSA-N 408.414 1.981 30 10 HDEE N#CC1(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCC1 1300225970 AWHOZICXDUOZAW-UHFFFAOYSA-N 407.492 1.716 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1cccc(C)n1 1300272975 OMXCCZGOLHRMNM-HOTGVXAUSA-N 404.540 1.682 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1300357173 JECZNVMYUOCAOG-QGZVFWFLSA-N 400.527 1.727 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1300363615 FDTNUXDWBNOBDW-KRWDZBQOSA-N 400.527 1.970 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(-n2cncn2)c1 1300596642 UTZPCKLBQMDZEN-UHFFFAOYSA-N 404.478 1.603 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCn2ccnc2C)CC1 1300705678 BUEHWBAZVUAGDU-UHFFFAOYSA-N 419.533 1.860 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1300756362 KNNOIQUGMXQQLA-GFCCVEGCSA-N 407.931 1.619 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCNC(=O)c1cc[nH]n1 1300807122 GYSLLHDUPUGKFW-HXUWFJFHSA-N 424.534 1.779 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300845042 UCLVSDJGDFKNMM-SUMWQHHRSA-N 410.316 1.940 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301435782 RCWCJEBUMROYLU-GFCCVEGCSA-N 406.288 1.778 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1301508725 RVCYQCUCRYUSBD-INIZCTEOSA-N 409.556 1.326 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(COC)CCOCC2)C1 1301554611 JPVJXDXJZPCGAN-DLBZAZTESA-N 419.526 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)CC1 1301579602 XTFHUCTUPUVJBH-UHFFFAOYSA-N 420.583 1.662 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CCN1CCOC(C)(C)C1 1301810266 YEJFSOCHOTXFTK-QGZVFWFLSA-N 406.531 1.607 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)[C@@H](C)C1=O 1303190095 VPGPEAJCKMIHSJ-HNNXBMFYSA-N 420.477 1.941 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H]1CC(=O)N(C)C1 1303730840 PVFIYCPZIHJFIR-HOCLYGCPSA-N 420.535 1.124 30 10 HDEE C#CCN1CCC(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1303792785 QEEACCVAEYDQGH-UHFFFAOYSA-N 403.548 1.618 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)C1CCOCC1 1303898529 DOWMNCVKYPYEDW-HOCLYGCPSA-N 406.508 1.338 30 10 HDEE Cn1cnnc1COCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252202 IMXHXFWTJXFKFC-YUMQZZPRSA-N 422.276 1.961 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCC[C@H]2CCCS2(=O)=O)CC1 1312539673 VBBFWAWUNUWYSS-OFLPRAFFSA-N 406.508 1.910 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCc3ccns3)CC2)cc1 1313212269 PWULOXRXXAWHPW-UHFFFAOYSA-N 405.505 1.273 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)c3cn(CCO)nc3C3CCOCC3)CC2)nc1 1331002391 KWSXHULJMZBDIQ-UHFFFAOYSA-N 424.505 1.435 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1358926252 IPKDNWQXKZFDNP-UHFFFAOYSA-N 403.494 1.927 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1358959097 BLFAWLUYFLHNOX-QGZVFWFLSA-N 402.520 1.917 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358960325 BTXVSFQERKQCEQ-BRWVUGGUSA-N 414.535 1.798 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1359009615 USXXGLHDHPERCN-WIYYLYMNSA-N 419.595 1.840 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359058979 WLJMWKNZEONDCT-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359221667 KBFLXJFKGNUBHS-ULQDDVLXSA-N 404.515 1.524 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1359222613 NAKGIWUFRRPAKK-CYBMUJFWSA-N 407.487 1.717 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1359298324 VWVXMKDYBOXWAX-GOSISDBHSA-N 418.461 1.162 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1360261371 HKRHIOFLZWKSQH-JOCHJYFZSA-N 421.505 1.448 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1360476413 LLERFMVZIANAPP-YKHTYXQRSA-N 413.482 1.437 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1 1450522328 FKLULCWMRMZUTR-AWEZNQCLSA-N 404.513 1.860 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1455702359 GVJMJYMZWZETOE-WVDZOPJMSA-N 411.568 1.348 30 10 HDEE COC[C@]1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460566872 HSPAHAHQSGKFHO-CTNGQTDRSA-N 404.486 1.272 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCO[C@@H](c2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1460858010 JRAOQAJVQUEPSH-FFZOFVMBSA-N 419.547 1.746 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1F 1463790928 GHZKCCQXZJAPLA-OAHLLOKOSA-N 419.434 1.650 30 10 HDEE COc1cc(C#N)ccc1Oc1ccc(NC(=O)CNS(=O)(=O)N(C)C)cc1 1464684649 HNFFOUPSSGALPU-UHFFFAOYSA-N 404.448 1.694 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 1466610059 ZDTLDAGQOLCBOA-KRWDZBQOSA-N 400.479 1.268 30 10 HDEE C=CCN1CCC(NC(=O)NCc2nn(C)cc2I)CC1 1468647964 VEKKPTCSEFMKOC-UHFFFAOYSA-N 403.268 1.474 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ccc(Cl)c(C#N)c1 1470186193 YNSQIKDVIQGLFR-LJQANCHMSA-N 409.870 1.940 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1470236923 MZOMWFLYPUXORV-MSOLQXFVSA-N 404.492 1.308 30 10 HDEE C[C@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1471083523 PKTCMGLHQPJCMA-GOTSBHOMSA-N 404.470 1.872 30 10 HDEE CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2cccc(C#N)c2)CC1 1471796683 HSUHKDODPXWDFX-OAQYLSRUSA-N 406.486 1.439 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)[nH]1)C2 1471875203 JWTLJSCTFNMLTG-TUXXCZFBSA-N 402.451 1.805 30 10 HDEE COC(=O)[C@@H]1CC[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1471932973 HHJVJLLCMWAUPY-YCPHGPKFSA-N 421.519 1.598 30 10 HDEE O=C([C@H]1CC(=O)N(c2ccccc2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618073 LOHHCDJBTBGIDX-HNNXBMFYSA-N 407.426 1.944 30 10 HDEE N#Cc1cccc(SCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)c1Cl 1473091178 JQJWMGXJYHSMKR-CQSZACIVSA-N 413.952 1.635 30 10 HDEE CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)CN2CC(O)(CC#N)C2)c1 1473413685 FJZPBSOMIKBEBR-UHFFFAOYSA-N 414.487 1.411 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2ccccc21 1478567935 MMMNUUFXAGQZRI-MOPGFXCFSA-N 417.469 1.546 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CCCC[C@H]1CN(C(=O)NCCn1cnc(C#N)n1)C2 1478603707 JROBJRPZHRDQDZ-MGPUTAFESA-N 417.514 1.876 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCc2ccc(S(=O)(=O)NC)cc2)cc1 1478686200 SCPHJHDZFFIJLG-UHFFFAOYSA-N 401.488 1.649 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1ccc2c(c1)OCCCO2 1479350782 XTEBJBKZGHWKDS-MRXNPFEDSA-N 422.489 1.972 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1502256160 VJSPHMHOKJRAJH-MMYRVIJDSA-N 413.526 1.601 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(OC)CCOC1 1503707885 GCGVAZVRVDRPKG-VFNWGFHPSA-N 412.494 1.441 30 10 HDEE COCCN1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC2)CC1=O 1504903620 BMSZFSVAOCJJLR-GOSISDBHSA-N 424.505 1.824 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1505013923 ACUKRDLMJPWCJZ-HOCLYGCPSA-N 413.482 1.436 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C1 1505109997 GZMFOQZULJTAII-WBVHZDCISA-N 401.492 1.477 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507560279 FRKYVQBLOUGUTQ-QZTJIDSGSA-N 402.543 1.580 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1507632920 QTXZAFGJEBKQMD-PMPSAXMXSA-N 410.565 1.304 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507633414 SGYALNHZSFELRG-JKSUJKDBSA-N 410.540 1.081 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507634562 ZBZCYONUBWVUNI-ULQDDVLXSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCc1n[nH]c(C)n1 1507642701 AJYXLVGZBCKLCR-UHFFFAOYSA-N 413.283 1.778 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507830197 XDWSAFDEJRFUJP-CZUORRHYSA-N 418.523 1.650 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1507842991 PJANTVMORZCTRR-KRWDZBQOSA-N 401.515 1.485 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507844905 RYHXZMAHGXYRIQ-HZPDHXFCSA-N 404.471 1.644 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)cc1C 1510932968 DNZBNPKFTHJISZ-HXUWFJFHSA-N 413.457 1.677 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)C1 1521055549 FYEBTRTTXKHNON-LJQANCHMSA-N 413.413 1.821 30 10 HDEE COC(=O)CN(CC#N)C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1523086299 BWWLDSSZSUHVEG-UHFFFAOYSA-N 417.281 1.528 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc(Cl)c2)c1CC)[C@H]1CCS(=O)(=O)C1 1528599732 DJUMIOYNEOJSEC-HNNXBMFYSA-N 406.895 1.746 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)N(CC#N)CCC(=O)OC)c1 1532447989 BQRMFBPKWCBBJP-UHFFFAOYSA-N 411.480 1.255 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cnnn1 1538965119 MUWWSYXONKEZPW-INIZCTEOSA-N 407.482 1.682 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1539176926 WBPCWBZEPXTWPT-QGZVFWFLSA-N 417.535 1.540 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539201904 CPDYTMPCDZISBC-VSZNYVQBSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@H]1CCCCO1 1539238774 BSYYEDBXSPSIEC-IAGOWNOFSA-N 407.540 1.310 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CCS(=O)(=O)C1 1539273602 YTFZPZWHNOLOCC-SFHVURJKSA-N 421.526 1.789 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)C1CCCCC1 1539291658 VHUBIOBUXDUELU-UHFFFAOYSA-N 412.538 1.670 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539514244 XGLBJTBUNDXWGW-KRWDZBQOSA-N 415.544 1.333 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1539632301 QNUOOIJBFNIACS-FAJBIJEISA-N 403.527 1.820 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)(C)C)CC1 1539774712 DJJSEZPBQHCOLB-ZDUSSCGKSA-N 404.968 1.561 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1539823660 HNHJVIRBTZKDAI-SFHVURJKSA-N 402.543 1.639 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@@](C)=O)CCC1)C1CC1 1540095539 RQXHPEKPRAZJQK-ZBSNKRKSSA-N 415.585 1.344 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(c2ccccc2)CC1 1540869867 ZAPHBWMYKMVOSR-QGZVFWFLSA-N 424.505 1.019 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2cnn(C)c2)CC1 1540870593 QVBFMTIMEJADRY-KRWDZBQOSA-N 413.526 1.592 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1541799897 OVPUWFKASVIZDM-SJKOYZFVSA-N 424.914 1.281 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1ncn(C)n1 1541801911 GXLFSYPFAFUVMM-GFCCVEGCSA-N 404.438 1.509 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)cs1 1542925772 GNMDHMINGSZROL-HUUCEWRRSA-N 415.523 1.277 30 10 HDEE Cc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543264705 OFLHALLIKGFEHR-AMGRQBIBSA-N 410.482 1.230 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N[C@](C)(C#N)C2CCCCC2)cc1OC 1543863644 KYFDETLJDPOEJZ-LJQANCHMSA-N 409.508 1.961 30 10 HDEE C[C@H]1CN(C(C)(C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1544546213 XCBOFFZZJHOQHF-XWTMOSNGSA-N 418.542 1.746 30 10 HDEE C=CC1(CC(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CN(C(=O)OC(C)(C)C)C1 1545034664 ARDVMXKPLSKHKI-GDBMZVCRSA-N 417.510 1.843 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1547742008 HWDHVLMYTCCBST-UHFFFAOYSA-N 423.521 1.681 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1555149111 XRYDNCPGKONFMH-IRXDYDNUSA-N 423.477 1.420 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCOCC(F)F)cc1 1555988588 IBDFEFYYKOZRMY-HNNXBMFYSA-N 404.421 1.800 30 10 HDEE Cn1cc([C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C2(CO)CCC2)cn1 1556736051 WJPNMBSQHABMDV-KRWDZBQOSA-N 420.466 1.490 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]4OCCNC(=O)[C@H]43)CC2=O)cc1Cl 1558059687 IWCSEIRSUSNAFF-QBIMZIAESA-N 416.865 1.071 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 1558104363 XNDBYYWWCVKGMX-UHFFFAOYSA-N 405.451 1.945 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)c1 1558453075 DXFCUDHHPWAWTK-GOSISDBHSA-N 414.487 1.187 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(C3CC3)n2CCC(N)=O)c1 1559357014 GTHSVBRXUMMAJY-UHFFFAOYSA-N 412.475 1.453 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(ncn3-c3ccccc3)c2=O)c1 1559419127 UKYZBPRZFIIIKD-UHFFFAOYSA-N 412.409 1.912 30 10 HDEE C#C[C@H](NC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@@H]1CCCO1 1564603007 JVTPSLMFRNIMOJ-BVXCDBHHSA-N 400.460 1.598 30 10 HDEE O=C(NCCN1CCN(C(=O)c2cccc(C#CCO)c2)CC1)c1ccccc1F 1565694066 YZJBMUYJESMYGJ-UHFFFAOYSA-N 409.461 1.357 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1cccs1)C1(CO)CCC1 1570788105 FMNSJABBKBXCJA-QGZVFWFLSA-N 419.528 1.807 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1583345438 SJGNOVYRNYTFSY-QHCPKHFHSA-N 405.454 1.967 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1588065005 RCGIIDYFYJCGOG-KRWDZBQOSA-N 405.568 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCOc1ccc2c(c1)OCO2 1588124359 JTSIPARUJIOEJT-UHFFFAOYSA-N 402.414 1.616 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1588214109 IORZLSKUJUBGAT-IBGZPJMESA-N 407.522 1.555 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCNC(=O)C(C)C)CC1 1588848883 POUUTMONLVWILS-UHFFFAOYSA-N 412.513 1.535 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CCNC(=O)[C@@H]1CC 1589560186 XSWNWUOYMHBCMF-HBFSDRIKSA-N 410.522 1.960 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(C)CN(C2CC2)C1=O)C1CC1 1595020505 HCSBYHFVCHSSIZ-ORAYPTAESA-N 422.555 1.054 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1596696258 WMXOWYSMJCGGQD-KSFYIVLOSA-N 424.505 1.727 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1608371252 JYSYTUKWUKZKKN-HXUWFJFHSA-N 402.451 1.819 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(N(C)C)CCC2)CCOC1 1610901264 COMNYFLQFQCFKJ-LAUBAEHRSA-N 418.542 1.532 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CCc1sc(C)nc1C 1619911742 DXKLQGYILWWKKU-HNNXBMFYSA-N 417.539 1.912 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1619989083 BCPRKDMEHHMMFO-GPMSIDNRSA-N 423.489 1.987 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C(N)=O)nc1 1620082488 CVLSYGSFAKVCLH-QRTARXTBSA-N 413.482 1.283 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)cc1 1621781865 XRHXLQXPGNEVBR-UHFFFAOYSA-N 403.548 1.671 30 10 HDEE COC(=O)[C@@H](COC1CCC1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1622945829 LTSUVALHPWJGMX-MRXNPFEDSA-N 412.439 1.306 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 1624687828 BIMLDLRWVTXEQV-UHFFFAOYSA-N 415.475 1.372 30 10 HDEE CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1627734944 JYAJXDYTHRUUPY-RDTXWAMCSA-N 401.442 1.900 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(=O)OCC)CC2)s1 1628415206 YWVWDSSJAIZCEQ-UHFFFAOYSA-N 401.510 1.056 30 10 HDEE C=CC1(CC(=O)N2CCN(c3nc(N)ns3)CC2)CN(C(=O)OC(C)(C)C)C1 1629615676 JFBOWYMXKLFTDY-UHFFFAOYSA-N 408.528 1.582 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1(c2cccc(OC)c2)CCC1)c1cc[nH]n1 1633760865 DZLQMNQYAUXSAS-UHFFFAOYSA-N 400.435 1.898 30 10 HDEE CN(C)S(=O)(=O)c1ccc(O)c(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1634260100 QWWOIUWAKFQNMS-UHFFFAOYSA-N 400.460 1.451 30 10 HDEE CN(C)C[C@]1(O)CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1634600926 FEFHHDWWVSOLMQ-MGPUTAFESA-N 404.898 1.480 30 10 HDEE C#CCn1cc(CNC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cn1 1635749661 PVVCXUKBHHKFPI-KRWDZBQOSA-N 405.499 1.188 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]12CCCN(CC1)C2 1636245364 PWUVYRQLTYFHFD-JXFKEZNVSA-N 404.536 1.494 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(CCc3cnccn3)CC2)CC1 1637449152 DQXDFIGXRBYBIU-UHFFFAOYSA-N 419.533 1.887 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CCCC(=O)Nc2ccccc2C#N)cn1 1638047279 UQENJXJCBNEALL-UHFFFAOYSA-N 400.460 1.782 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1638428745 IEUXAQGOFOLYAR-HNNXBMFYSA-N 418.500 1.501 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H](c4nnc(N)o4)C3)CC2=O)cc1Cl 1642473157 QGIRCXBFPSVGRQ-QWHCGFSZSA-N 414.853 1.936 30 10 HDEE CCOC[C@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1643301884 NOZPQKGWKTWHQK-SJORKVTESA-N 400.435 1.027 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@](C)(C(F)(F)F)C1 1643896578 LQINIPVFYTVUSS-ABAIWWIYSA-N 405.398 1.405 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C[C@@H](O)CC3(C#N)CCC3)C2)C(=O)C1 1645344798 PWNDIZDZKASOAK-MSOLQXFVSA-N 420.554 1.975 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1645726017 CUDGPPYNBQWITE-GOSISDBHSA-N 401.444 1.428 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(CC(=O)NC3(C#N)CCC3)C2)nn1 1646037809 NWESYNOLJZRCEC-INIZCTEOSA-N 417.514 1.502 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)c(F)c1 1647167677 BVPCPAOFIURTKR-MRXNPFEDSA-N 414.372 1.128 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1648397431 DRQWHVBQTMLBPJ-QINHECLXSA-N 402.520 1.484 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1649035795 MKUYWADGLKVZRG-UHFFFAOYSA-N 416.455 1.998 30 10 HDEE COc1ccc(CCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1O 1651332564 XVULUQKOITWDCB-QGZVFWFLSA-N 422.441 1.836 30 10 HDEE C#CCCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653200315 NGWBHLAOISCOKL-LFDOHDQPSA-N 404.488 1.030 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3csc(C)n3)CC2)cc1 1653497874 QSBJEOLFBUSGBQ-UHFFFAOYSA-N 418.544 1.768 30 10 HDEE CCOC(=O)[C@](C)(O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1663286320 GPBLAJVNXPADIU-CYBMUJFWSA-N 409.233 1.052 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1663316612 UWDLQLSHHDQPLN-SQNIBIBYSA-N 412.508 1.269 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCCN2Cc3ccccc3OCC2=O)c(F)c1 1666037048 ANWZJNWMMUTRPD-UHFFFAOYSA-N 407.398 1.536 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](NC3CCOCC3)C2)c1 1666224781 ARYBLBZPZWFZNB-GOSISDBHSA-N 407.536 1.524 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)n(C3CCCCC3)n2)CC1 1672546060 IKYUXFYIBCHZNK-UHFFFAOYSA-N 408.528 1.314 30 10 HDEE CN(C)CCC[C@H]1CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1682226653 OGTHFIJXWSIAIP-PMACEKPBSA-N 413.522 1.411 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCCONC(=O)OC(C)(C)C)CC2)c1C#N 1685513937 NFKRMCAQGHXVNZ-UHFFFAOYSA-N 421.502 1.278 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1689873775 WJHNWZIYPHZVPP-QGZVFWFLSA-N 402.543 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1Cc1nnn(C)n1 1690010137 XIYPUKFKJZWTLI-UHFFFAOYSA-N 420.477 1.387 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1CCN(C(C)=O)CC1 1690025446 QXCWUABTEBPCHU-UHFFFAOYSA-N 407.522 1.471 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)CC 1690072795 ULFCNTPTACRUNX-IBGZPJMESA-N 404.540 1.859 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1690075542 NMRCOJXKDCSTQE-QGZVFWFLSA-N 417.535 1.610 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(SC)c1 1690102308 HZHFFTQQEKKFFU-HNNXBMFYSA-N 400.508 1.480 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1690120455 VQNORYIMSIEZOP-RBUKOAKNSA-N 408.554 1.611 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2[C@H]2C[C@@H]2C)CC1 1690138117 SHMKGDLJNZGUGP-WJPUGNRLSA-N 401.511 1.477 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC(O)(CC)CC)CC1 1690142947 YQIQJFCFDMKCEE-UHFFFAOYSA-N 413.526 1.196 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1690340085 FBSBIRUONCFYAT-IBGZPJMESA-N 417.901 1.851 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1690432773 LJWMHMPISAPLIQ-JXFKEZNVSA-N 424.567 1.778 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690467372 UZDDSRKFGCBTBQ-INIZCTEOSA-N 409.556 1.770 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1snnc1C 1690609310 KMYUILPDGKXRGI-UHFFFAOYSA-N 414.495 1.772 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1690615480 GUCMSXIHTFBSJA-UHFFFAOYSA-N 420.477 1.667 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)COCCO1 1692873426 XNKSOWHODVBDSJ-OAQYLSRUSA-N 410.478 1.324 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NC(C)C 1705489525 QPEPDUUYCQHAEI-CQSZACIVSA-N 417.539 1.221 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)O[C@H](C)C1 1705617390 SNXAGKHSXNRSBH-HDICACEKSA-N 402.543 1.359 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCC[C@H]2C)CC1 1705635320 WCBPHCQCYLKQTP-RTBURBONSA-N 404.559 1.242 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ncc(CC)s2)CC1 1705638646 RLZPPTCECZXDEG-MRXNPFEDSA-N 413.551 1.246 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCN(C)C2CCCC2)CC1 1705639700 UODNLMJVUGXLQB-IBGZPJMESA-N 400.571 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](COC)OC 1705669850 YYNBGVYXWHXLKH-UIFIKXQLSA-N 406.527 1.972 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)C1 1705705060 CIKQMVYMDOJBPV-QFBILLFUSA-N 403.527 1.997 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705740292 HIVWNMRPSFICSX-OAQYLSRUSA-N 421.542 1.580 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705896163 DAZIGMZZNWHSQA-MRXNPFEDSA-N 413.478 1.645 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1705909524 ZQKAFYKODRBIIW-VXNCWWDNSA-N 419.526 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C(C)C)C1 1705931812 BDAOJKFWZSRBSE-MRXNPFEDSA-N 408.528 1.141 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705944109 VKLFYYTVLUKQFC-HZSPNIEDSA-N 406.512 1.083 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)[C@@H](C)C1 1705987236 DIICUNOEUPQSCE-OXJNMPFZSA-N 424.505 1.679 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@H](C)[C@@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706594008 RETHPUXTPQROAA-IAOFPLEJSA-N 415.498 1.035 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1710310142 KOXFHRPWKYAWIP-ZDUSSCGKSA-N 415.498 1.906 30 10 HDEE CN(C)[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1711001070 GLZGJUQUXZTNPY-GHTZIAJQSA-N 423.546 1.983 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C[C@@H]1C 1712476792 AULMPGXVOCEUIX-LPHOPBHVSA-N 416.501 1.958 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCCCCO)cc1 1712879947 RQAQOGZAFGVGOR-SFHVURJKSA-N 409.494 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N(C)C)CCOCC1 1722283240 HNPMGOTVXLRRFN-INIZCTEOSA-N 404.559 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccco1 1722284535 NBRKHDRBOXBBOO-AWEZNQCLSA-N 400.483 1.677 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCNC(=O)C(C)(C)C)CC1 1722449190 HVSSLNDNXOICQL-UHFFFAOYSA-N 414.554 1.359 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1722667307 MFJZZUWCEQAUGA-UHFFFAOYSA-N 423.521 1.969 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1722699999 SFGDFKIKAQZWGT-UHFFFAOYSA-N 424.549 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@@H]32)nnc1[C@]1(OCC)CCOC1 1722731724 PUSRJMAXGNWOBN-BXWFABGCSA-N 410.540 1.520 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1cccs1 1727569797 ZMGNEYBCKIENIB-UHFFFAOYSA-N 423.502 1.867 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1729712461 BNXXNMXFZKUOIM-UHFFFAOYSA-N 400.483 1.462 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1740567423 RBIDUJRBQWFDSA-CVEARBPZSA-N 407.478 1.444 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1CCN(C(=O)OC(C)(C)C)C1 1740609218 XKRNHTYJQYPKNA-HZPDHXFCSA-N 416.526 1.946 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1740756438 HTNVBNUAIHOVRQ-WJPUGNRLSA-N 411.510 1.679 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)N1CCOCC1 1740893783 WJTWSCVBSGMSCN-MRXNPFEDSA-N 419.551 1.692 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1740895161 SVZJNWNACUJLLM-HNNXBMFYSA-N 414.466 1.573 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1740950983 ORNQLLRWSRZVGX-IAGOWNOFSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1740956847 RWLMFOMUVRZQLL-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)CC1 1741085778 GWUZDCCZCZZCBO-UHFFFAOYSA-N 421.505 1.448 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1741128655 ZZMTVDHXYAEGRJ-ZDUSSCGKSA-N 417.901 1.871 30 10 HDEE CC(C)Cc1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741436290 JBFQMFRLPJDWGA-QBNCKDSPSA-N 416.526 1.866 30 10 HDEE CCn1cnnc1Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1746363918 FCCGJDRJTAHSBJ-ZDUSSCGKSA-N 418.465 1.849 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1746963402 OBIKIDKWOHWZCB-CCQWQLPESA-N 421.542 1.987 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 1748672568 VDBIWRCMQPGAJH-SJORKVTESA-N 407.584 1.903 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1cn(C2COC2)nn1 1748687998 WFXHDNJHTCNSNG-AWEZNQCLSA-N 411.441 1.665 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCOCCS(C)(=O)=O 1748831785 XRZKIPDDOCOURO-UHFFFAOYSA-N 420.922 1.733 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(NC(=O)N(C)C)cc1 1748840795 KHUNVXCGMFNWRZ-UHFFFAOYSA-N 414.473 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ncn(-c2ccccc2)n1 1748892286 MXWAJJLNBCHVPC-GOSISDBHSA-N 401.474 1.874 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1748906744 XXTRWKVXYZZOJB-ZDUSSCGKSA-N 405.480 1.125 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749044573 RQXZYDRYNFQSLL-HZPDHXFCSA-N 420.560 1.657 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2oncc2C1 1749084539 ZPFNZSNQQAKFCF-UHFFFAOYSA-N 407.272 1.973 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749268799 HJKXONKFURUXDD-CABCVRRESA-N 417.963 1.690 30 10 HDEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1749403880 NRWODHOQGAHCBY-UHFFFAOYSA-N 416.570 1.568 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749456272 AHPDKUMMLVUMAN-RDJZCZTQSA-N 404.515 1.415 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1750060678 IGJDZGLEMASUFN-SJKOYZFVSA-N 423.315 1.793 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCCO 1750068338 AVTSQALINJXPME-AWEZNQCLSA-N 411.466 1.589 30 10 HDEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CC1 1752262862 CBGIBDSYOWAHNM-IBGZPJMESA-N 407.522 1.860 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc2c1OCCCO2)[C@H]1CCS(=O)(=O)C1 1760181660 ZKUDRGSREMMOFI-KRWDZBQOSA-N 416.503 1.423 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(S(C)(=O)=O)CCC1 1760204785 CEDPOFKRXQVJNV-UHFFFAOYSA-N 417.560 1.674 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCCC1 1760216813 CHYDYTLKWUNNNT-UHFFFAOYSA-N 412.519 1.555 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(S(C)(=O)=O)CCCC1 1760246389 PSQGVBQDRZKJAV-UHFFFAOYSA-N 417.535 1.784 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(F)(F)F 1760249530 NJAKHVYPKXKBIC-CYBMUJFWSA-N 408.446 1.609 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCC=CO2)CC1 1760271639 FEINZDAHQJCZBX-FQEVSTJZSA-N 420.517 1.922 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CC)C[C@@H]1CCCO1 1760521293 OWJNPRTXVTXPLL-AWEZNQCLSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760524216 RWPORJFUTNDORS-IAGOWNOFSA-N 418.542 1.217 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3nccc(OC)n3)CC2)nnc1C(C)(C)C 1760528486 DTUFDEOYRJASKR-UHFFFAOYSA-N 414.514 1.003 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCNC(=O)C1CCC1 1761367210 DLOQBLIVXZNAAI-OAHLLOKOSA-N 423.521 1.823 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1761631240 ROJPDGGRQBUTHJ-GFCCVEGCSA-N 402.871 1.931 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765258422 YNSXZSPLBUGNJI-HMWBCQRISA-N 411.466 1.415 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCCN2CCC[C@@H]2CO)cn1 1767455330 JIWFNZIORLVCNZ-XLIONFOSSA-N 416.505 1.357 30 10 HDEE CCOc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NC)cc1OC 1767538288 GWUIYAJUXNSICQ-HXUWFJFHSA-N 416.457 1.930 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1768585311 MJHWROKFNUIEGY-PGRDOPGGSA-N 424.505 1.279 30 10 HDEE CO[C@@](C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CC1 1769540254 HXYPGDPSJRXIGK-BEFAXECRSA-N 407.540 1.735 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCCN(S(C)(=O)=O)CC1 1769722677 QFTNGBAIHSVRID-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1769783625 FRYCUEBYIICMJO-RBUKOAKNSA-N 423.521 1.110 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1772789261 CQCPTCGUOUTMRL-UHFFFAOYSA-N 415.427 1.237 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@@H]1CCOC1 1772792384 AKEJAFFVOPWYJE-IUODEOHRSA-N 404.419 1.918 30 10 HDEE Cn1nc(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)cc1-c1cccnc1 1852795904 QCGWUNFXAIMGSC-UHFFFAOYSA-N 401.370 1.966 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCCc4c3ccnc4N(C)C)C2=O)CC1=O 1853793563 RLBQHCOFBVGWQY-YJBOKZPZSA-N 411.506 1.062 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3COCCO3)C2)CC1 1853814928 JRSCOKQAJVEAER-ICSRJNTNSA-N 411.502 1.724 30 10 HDEE COc1cccc(OCC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)c1 1853845327 RTMWNTSCHPUUPG-UHFFFAOYSA-N 407.426 1.499 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CC(=O)N(C)Cc1ccccc1 1853877806 VISDFIHYMTUSJA-MRXNPFEDSA-N 405.458 1.285 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3ccc(OC(F)(F)F)cc3)C2)CC1=O 1854196336 PQYLSJOCODXTCD-HNNXBMFYSA-N 410.396 1.744 30 10 HDEE CCOCC(=O)N1CCC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1854368041 ZRKXAKFNXACORQ-SFHVURJKSA-N 404.511 1.015 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854403633 GYFMSZQSZBPWGQ-UHFFFAOYSA-N 405.476 1.536 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1855718680 YXOKVIXNVRCWIQ-ZBFHGGJFSA-N 405.476 1.265 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1-c1cccnc1 1856519088 VSPZJDCZOJIEOU-SJLPKXTDSA-N 404.474 1.849 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3COCCO3)C(=O)C23CCCC3)c(F)c1 1856599897 CSBDOVDXDVQWMC-GOSISDBHSA-N 401.438 1.596 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)C1 1856670528 DJDIIGWIFICUSV-IEBWSBKVSA-N 404.474 1.548 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C1(C)C 1856774761 JHKCTUXLISMWJH-CVEARBPZSA-N 404.511 1.156 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(N(C)C)ccn2)C1)[C@@H]1CCN(C)C1=O 1857046452 SFBWJWAWWKOFQO-VQIMIIECSA-N 413.522 1.245 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CCc3ccccc3F)C2=O)C1 1857107354 RVJKPKSIAOLKTC-LJQANCHMSA-N 408.433 1.916 30 10 HDEE COCC(=O)NCCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(C#N)c2)cc1 1858995700 YGSSILQJHCYRLO-UHFFFAOYSA-N 416.459 1.374 30 10 HDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 1869929253 DGZOTSZJKPZWSX-INIZCTEOSA-N 424.592 1.399 30 10 HDEE C#CCN(C(=O)OC(C)(C)C)[C@H](CN)c1cc(I)nn1C 1886815968 QTPBMLCDMCIUIS-LLVKDONJSA-N 404.252 1.895 30 10 HDEE C#CCN(CCO)C(=O)C1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1 1984760332 SPTPJQKOSNHTFC-UHFFFAOYSA-N 415.534 2.000 30 10 HDEE N#Cc1ccc(C[S@@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)nc1 2074703373 WWABYQWWXORNNP-UULLZXFKSA-N 401.444 1.972 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)CO1 2118163315 PMBMLJBASPXIHW-NEPJUHHUSA-N 401.510 1.828 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 2174789814 VTHGEHVIJWKPSE-UHFFFAOYSA-N 400.545 1.542 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 2180138432 XKSYVVGGSRRDRN-XHSDSOJGSA-N 400.541 1.965 30 10 HDEE C[C@@H](CO)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243380742 DTMSGTDEZYCIPV-AWEZNQCLSA-N 400.288 1.138 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CC#N)Cc1ccccc1 2243412257 JEKYUCXRAVIFLL-UHFFFAOYSA-N 416.312 1.434 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243717084 VFKZHWGBZHKMFK-MNOVXSKESA-N 424.332 1.501 30 10 HDEE C=C(CN(C)C(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248400956 CZRZVLZQHCKMLB-CQSZACIVSA-N 423.319 1.368 30 10 HDEE C=CC[C@]1(CO)CCCCN1S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2259484472 KFGYDIHSSLGHFC-HXUWFJFHSA-N 406.504 1.796 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267469265 SJIHQASMUWDMJH-SECBINFHSA-N 410.128 1.952 30 10 HDEE C#C[C@@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2270524037 GFAWHLSAQNQBNW-MSOLQXFVSA-N 422.503 1.518 30 10 HDEE CN(C[C@@H]1CNCCO1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281948224 ZOBWPJKIUUQFMW-NSHDSACASA-N 400.737 1.761 30 10 HDEE CN([C@H]1CCCNCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282345790 JKDFLWSAZXLBCX-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494845 DIKFMIZJSOGBJG-RISCZKNCSA-N 401.721 1.783 30 10 HDEE COC(OC)[C@H](C)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502750 PHYBIBZLAPCDLQ-NSHDSACASA-N 405.347 1.675 30 10 HDEE CC(C)CSCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830787 ZVQICBWAMFHOET-UHFFFAOYSA-N 403.379 1.387 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCO[C@H]3CCOC3)s2)OC1(C)C 2282848194 KJQBFLIBBZYTJP-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CC[C@@H](O)CN(C1CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848801 SABMYIUZJDBBON-CQSZACIVSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)NCCSCCCO)c2)OC1(C)C 2282858746 BUCDCEWIMDCELG-UHFFFAOYSA-N 401.359 1.380 30 10 HDEE CC[C@@]1(O)CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282878339 DTXVJJLPRUKGOW-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CCN(CCN(C)C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282889409 UORGBPJFHCIGJK-UHFFFAOYSA-N 402.391 1.761 30 10 HDEE C[C@@H](C#CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)NC(=O)OC(C)(C)C 2341224723 MONRKOTXBSZIAU-JTQLQIEISA-N 401.872 1.843 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363692807 BHUWAXPBAZZDHR-JKSUJKDBSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1 2365203124 HUNYOJUENJGVHY-BEFAXECRSA-N 402.557 1.723 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792073 LIOHAVYCIHZGDA-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1 2367803699 MUIFEWAWLDPABT-CRAIPNDOSA-N 400.541 1.571 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367830109 GEKXPESVSAEPRV-QMTMVMCOSA-N 400.541 1.292 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)[C@H]2CCCS2(=O)=O)OC1(C)C 2369900201 DOPVTPKLUSGSJL-GFCCVEGCSA-N 419.761 1.894 30 10 HDEE C#CCCN1CCC(=O)N(C2(C(=O)O)CC(NC(=O)OCc3ccccc3)C2)C1=O 2373051647 OWQTVJCSFIDZJT-UHFFFAOYSA-N 413.430 1.576 30 10 HDEE CC[C@H](C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@@H](C)O[C@H](C)C3)c(C#N)c21 53278242 WFIVIQGAUATJEL-QJPTWQEYSA-N 409.494 1.967 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 111224624 FYHKWKBZMHQHGY-TZIWHRDSSA-N 423.517 1.154 30 10 HDEE CCC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c(C)c1 219984214 BGUGJCCXIIUKAH-OAHLLOKOSA-N 415.475 1.847 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)n2)c1 409849797 REXHOJYOXVXZJQ-LJQANCHMSA-N 407.474 1.988 30 10 HDEE CCSc1nccnc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 430090612 OIMKKBNFZOAYDH-UHFFFAOYSA-N 417.516 1.607 30 10 HDEE N#CC1CCC(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)CC1 441054783 YCIMCIDPIMEHRY-UHFFFAOYSA-N 400.451 1.872 30 10 HDEE CN1CCN(C(=O)C2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)CC1 462094171 UKUJYAMQLHDYCB-UHFFFAOYSA-N 422.493 1.157 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CC(=O)N(CCOc3ccccc3)C2)ccc1F 462321834 OIOYQORHAVOIIN-OAHLLOKOSA-N 403.435 1.656 30 10 HDEE N#Cc1cc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nc2ccc([N+](=O)[O-])cc12 462383347 FIVXGBLPBUCTEE-UHFFFAOYSA-N 408.418 1.286 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 465469574 KWBVRNLAYPXSFG-QAPCUYQASA-N 424.530 1.681 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)CC1 470280133 NJVRBHDXRQGAAN-OAQYLSRUSA-N 415.582 1.772 30 10 HDEE COc1cc(C#N)cc(Br)c1O[C@H](C)C(=O)N1CCN(C(C)=O)CC1 479932230 PIFPELMQJZRRSG-LLVKDONJSA-N 410.268 1.787 30 10 HDEE CN1CCN(c2cccc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)n2)CC1 502031514 LLBFCBJBCSIHIO-UHFFFAOYSA-N 408.481 1.807 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)nn1CCC#N 504085802 GTLSAHODMKLHDD-UHFFFAOYSA-N 400.483 1.295 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)Cc1cnccn1 508935901 PICPGXROQDOPSV-UHFFFAOYSA-N 413.507 1.808 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)cc1 518431383 PYCARFQQKJYLFR-KRWDZBQOSA-N 418.519 1.353 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 519718021 BNRCBBHYSMHNOC-UHFFFAOYSA-N 420.495 1.805 30 10 HDEE C=CCNC(=O)CNC(=O)C(=O)Nc1ccc(C(F)(F)F)c(Br)c1 530348998 UHUDVPYELPEESC-UHFFFAOYSA-N 408.174 1.825 30 10 HDEE C[C@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 539278528 AMUDBOAYECEHFJ-HNNXBMFYSA-N 421.544 1.933 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)n1 541411365 HGMBXPHMSUBOMM-UHFFFAOYSA-N 411.466 1.745 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)C1=O 542690804 LDROHQQWSTVYGO-QGZVFWFLSA-N 403.504 1.319 30 10 HDEE CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCC1 546076235 SDDAKHMIXYLMFP-CQSZACIVSA-N 401.529 1.568 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccc(C[C@H]4CC(=O)NC4=O)cc3)CC2)n1 546220737 UUBDKGAXJIOPHM-INIZCTEOSA-N 418.457 1.513 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](c2ccnc(N)n2)C1 548719043 VQSLXCWNVHRWLM-OAHLLOKOSA-N 404.478 1.929 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(O)n1 550185747 XEXOSDBTDHGQQE-UHFFFAOYSA-N 421.501 1.626 30 10 HDEE CS(=O)(=O)N1CCN(CCNc2c(Br)cc(Cl)cc2C#N)CC1 587439247 OPBVTIAERBKRME-UHFFFAOYSA-N 421.748 1.963 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)cn1 588892701 QUPNDVVTMUKWEI-UHFFFAOYSA-N 418.478 1.570 30 10 HDEE O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)NCC#Cc1ccccc1 597691049 ULUNIEYKEKVVLI-QRVBRYPASA-N 402.516 1.264 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccncc2)c(=O)n1C[C@H]1CCCO1 679755400 RPSPSZQGDVFOAT-QGZVFWFLSA-N 409.511 1.746 30 10 HDEE C#CCN(C(=O)c1nc(NCc2ccco2)ncc1Cl)[C@@H]1CCS(=O)(=O)C1 729333999 FWYZOLLHNJKFQO-GFCCVEGCSA-N 408.867 1.598 30 10 HDEE N#CCN1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 742291779 MHVRTKQAQFRNEW-UHFFFAOYSA-N 403.258 1.624 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccccc3)c2=O)cn1 748064483 UAUTUWHFLGIIDW-UHFFFAOYSA-N 404.495 1.564 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c1 750420328 BSFVEHRLIUWQQL-VYDXJSESSA-N 422.532 1.230 30 10 HDEE NC(=O)C[C@H]1CCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 751395672 KYJSBHKZUYLPHD-OAHLLOKOSA-N 420.535 1.542 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc21 758644570 MQZNARZEGJTIKV-ZBFHGGJFSA-N 406.508 1.716 30 10 HDEE CCOc1cccc(CCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 760804994 HYBYVZQAGPRJDL-UHFFFAOYSA-N 402.476 1.268 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3c[nH]c4cccc(F)c34)CC2)o1 761554471 SGNHLNFKJAWNSG-UHFFFAOYSA-N 411.393 1.981 30 10 HDEE C#CCN(C(=O)NCC1=CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 779681170 MQNOQGYOMAHOQT-INIZCTEOSA-N 411.524 1.386 30 10 HDEE CCCN(C(=O)[C@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 781401319 NDQSPZHYSDNQEF-MAUKXSAKSA-N 418.515 1.947 30 10 HDEE N#CC1(NC(=O)COC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CCC1 784208583 FFHJMBUKHLFILI-ZDUSSCGKSA-N 411.505 1.397 30 10 HDEE COC(=O)CC1(NC(=O)Nc2ccc(F)cc2OCC#N)CCS(=O)(=O)CC1 784449676 FNAITHJDGZGKOJ-UHFFFAOYSA-N 413.427 1.360 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)N3CC[C@@H](c4ccccn4)C3)CC2)nc1 804401444 LZJQNIPDEIRKHU-QGZVFWFLSA-N 404.474 1.449 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Br)n1C)[C@@H]1CCS(=O)(=O)C1 809867872 UNDRUUCVRDEIEB-GFCCVEGCSA-N 409.309 1.871 30 10 HDEE COc1cc(CNC(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)ccc1C#N 810198690 DDPOZPBFAWQFER-UHFFFAOYSA-N 404.448 1.095 30 10 HDEE COc1cc(CNC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)ccc1C#N 810867138 KKVKNWYFZSJLTO-MRXNPFEDSA-N 416.478 1.699 30 10 HDEE Cn1c(=O)sc2cc(C=NNS(=O)(=O)Cc3ccc([N+](=O)[O-])cc3)ccc21 814822574 TUHYGDGRLPUPFD-UHFFFAOYSA-N 406.445 1.962 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c(OC)c1 917799500 ZWSKAAZCOXLYNZ-UHFFFAOYSA-N 414.446 1.815 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)n3)CC2)cc1 1129200787 XMRGWSUTDHLCLK-UHFFFAOYSA-N 417.466 1.375 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCN3C(=O)CSC3=O)C2)C1 1136328580 QUQJEERBXJGXPV-MLZJXEJWSA-N 422.507 1.585 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCC[C@]12NC(=O)NC2=O 1136977743 PSQOIJZLWFAOJK-BTDLBPIBSA-N 421.251 1.194 30 10 HDEE COCCOCCc1ncc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[nH]1 1137497778 SZQYIZPFMIVDOC-UHFFFAOYSA-N 413.478 1.700 30 10 HDEE CC(C)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CCC1 1141441695 BZUFDQSVHBTQIK-GOSISDBHSA-N 407.536 1.809 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1141496868 VRVLIICAEBJFSR-HIFRSBDPSA-N 402.310 1.153 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(N3CCCNC3=O)CC2)c1 1151694691 KQEYRDWXKSFMNR-UHFFFAOYSA-N 408.455 1.143 30 10 HDEE COCCOCCc1ncc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]1 1153859663 VSBGHWSAMATZRN-ZFWWWQNUSA-N 407.471 1.104 30 10 HDEE Cc1c(I)cccc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1153978171 SMPHKFJTPMWIGV-UHFFFAOYSA-N 424.198 1.762 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)Cc3ccc(C#N)nc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1162734560 ZFZODONVSYYQHY-ZWKOTPCHSA-N 410.478 1.749 30 10 HDEE COC(=O)CC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(=O)OC(C)(C)C 1164238686 ARJLWWONNHDLIM-HNNXBMFYSA-N 403.435 1.068 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)CCN(C)C2=O 1165588704 XFBFXEFASCQRCI-ZDUSSCGKSA-N 412.471 1.492 30 10 HDEE COc1ccc(C(=O)NCCC#C[Si](C)(C)C)cc1S(=O)(=O)N1CCOCC1 1166048788 XBFRORPVMWBJRT-UHFFFAOYSA-N 424.595 1.717 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@](C)(C(F)F)C2)cc1S(=O)(=O)NCC#N 1167337895 GDGFNJIBSTWEOZ-SJCJKPOMSA-N 401.435 1.682 30 10 HDEE COc1ccc(CNC(=O)CCN2CCN(c3nccnc3C#N)C[C@H]2C)c(OC)c1 1168165644 ZMXZDDBTCTTWDR-MRXNPFEDSA-N 424.505 1.582 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC(Nc3cccc(C#N)c3)C1)C2=O 1168642887 QNYZRGZWBFQKJN-GJZGRUSLSA-N 409.490 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2Cl)C[C@@H](O)C1 1259108174 MBTHFLDXQHQCLQ-ZDUSSCGKSA-N 415.899 1.814 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2cnn3c2CCCC3)c1 1264809733 SQZMDBCOJBMKEN-UHFFFAOYSA-N 406.486 1.635 30 10 HDEE C#CCN1CCC(C(=O)NC[C@@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1285261933 SBVOPCFCPSBRQC-YQPXSLGVSA-N 401.551 1.402 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCc2cnn(C)n2)CC1 1286475605 CKDGSIIWTOHIQV-UHFFFAOYSA-N 415.505 1.333 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2(C(=O)NCC)CCC2)CC1 1286490612 NOPFUCGEIMBBQA-UHFFFAOYSA-N 412.538 1.428 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1 1286787021 AOAIAFGYBGHGEW-GUNSETOZSA-N 417.535 1.458 30 10 HDEE N#C[C@@]12CN(C(=O)C3(OCc4ccccc4)CCOCC3)C[C@H]1CS(=O)(=O)C2 1289204275 JHFWVJLNBVRBMT-HKUYNNGSSA-N 404.488 1.149 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2OCCC2(C)C)CCOC1 1296662230 BJXYNNZRHIPMFB-JXXFODFXSA-N 405.499 1.474 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)c1 1297538206 WZYIAEUOVWNBLK-AWEZNQCLSA-N 423.388 1.116 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1300007611 LATFLDVZUQBKNX-HOCLYGCPSA-N 402.472 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1300288600 DGJZVRMXGUZITG-INIZCTEOSA-N 411.506 1.979 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1300432382 VIESGVMFTJULDI-GHTZIAJQSA-N 403.527 1.647 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1300577901 DZVJESHBXIJAMB-JLAWEPINSA-N 418.563 1.848 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@@H]2CCCO2)CC1 1300695805 KFNMRNNQAPSBNP-IBGZPJMESA-N 412.538 1.625 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1300696233 VXZDSPWMOXEDNA-FQEVSTJZSA-N 411.554 1.385 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC2=CCCOC2)CC1 1300703629 NGSAJZWVNBYWGB-UHFFFAOYSA-N 407.518 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@](C)(O)c2ccco2)CC1 1300719640 KAYPMAAUOXDHFW-JOCHJYFZSA-N 422.489 1.740 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1300761367 BUHCAZPNEVKFND-APWZRJJASA-N 424.592 1.554 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300767318 UWIBZDVAKVCEMZ-INIZCTEOSA-N 405.549 1.254 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCO1 1300951297 QFHMZKOVBLMCJI-MRXNPFEDSA-N 403.458 1.070 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](COC)C1 1301515649 WKWPTATYWCRKFN-KRWDZBQOSA-N 410.478 1.504 30 10 HDEE N#C[C@]12CN(Cc3nnc(C(=O)Nc4ccccc4)s3)C[C@H]1CS(=O)(=O)C2 1308128050 KGDGQJQZAFYBGA-YVEFUNNKSA-N 403.489 1.161 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 1312788718 MARYEVMTMUXKHW-UHFFFAOYSA-N 421.339 1.872 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1313096903 HHYPPZNWKBIAEM-HUUCEWRRSA-N 409.483 1.076 30 10 HDEE COc1ccc(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1OC 1313333748 ZCELRDCLZJYMDO-UHFFFAOYSA-N 412.494 1.958 30 10 HDEE COCCOC1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1316246039 OXXSNSYFTQJHCC-UHFFFAOYSA-N 409.450 1.880 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[C@H]2COCCO2)CCO1 1316539607 DYSODTYOCXJJJA-ZWKOTPCHSA-N 417.441 1.530 30 10 HDEE C=CC(C)(C)CC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2cnn(C)c2)C1 1344329161 HMRNMYSLPOBHBD-BHQCHZOVSA-N 412.534 1.856 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(NC(C)=O)nc1 1358874211 UQCNXPREWDEZGK-LSDHHAIUSA-N 400.483 1.862 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1358930303 SCPHUROJLRZXRN-QGZVFWFLSA-N 402.476 1.439 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1359082216 CCWCIFJEGVBSMN-REWJHTLYSA-N 410.316 1.857 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359226543 HQVHRHLVJTVSCC-IAGOWNOFSA-N 419.526 1.596 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1359271081 KQAROLKIYGKEON-MSOLQXFVSA-N 402.543 1.909 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1 1359299553 HXNALNWHZJMITO-KRWDZBQOSA-N 418.542 1.169 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1359341115 MAXGYTFWJVAPHQ-UHFFFAOYSA-N 403.556 1.902 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cnn(C)c1 1359470718 DKKZOVBOMHOQPP-HZPDHXFCSA-N 406.498 1.733 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2(=O)=O)C1 1360784180 AARLTOAAQIZXPJ-YZVOILCLSA-N 420.539 1.327 30 10 HDEE N#Cc1ccc(F)c(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 1444744524 GXZRIVTWUBSJGH-QGZVFWFLSA-N 400.385 1.056 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN3CCOc4cccc2c43)c1 1446879619 JZKVHDJNEBLIIH-UHFFFAOYSA-N 401.419 1.982 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1C#N 1447780199 ILQJSMWSUKTSOU-CYBMUJFWSA-N 412.416 1.050 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC(C)(C)C 1451033028 TZRKIPMEEAFJKE-OAHLLOKOSA-N 411.499 1.609 30 10 HDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)n1 1453157751 GTESSZDKWIFBMD-AAEUAGOBSA-N 400.414 1.696 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 1453847425 RECIXXTWLDMRAY-LICLKQGHSA-N 402.516 1.686 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccnc12 1454253689 AFBJGRXSLIWDRB-UHFFFAOYSA-N 404.430 1.740 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(O)nc2)ccc1F 1454652898 JBSWXJLBWSONRR-QAPCUYQASA-N 421.450 1.651 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cccc3c2NC(=O)CO3)c(=O)c1C#N 1457781174 QIDUBJNYKYOHFU-UHFFFAOYSA-N 417.219 1.814 30 10 HDEE COc1cc(C(=O)N(CC(F)F)C2CCN(S(C)(=O)=O)CC2)ccc1C#N 1459468349 ZBKQSISZUSVAQU-UHFFFAOYSA-N 401.435 1.698 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)C1=O 1460436609 RZYXWQMCEOOVKE-OAQYLSRUSA-N 411.550 1.329 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)C2CC2)cc1 1465259509 WHNOFEJVYRAMTG-UHFFFAOYSA-N 401.510 1.192 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnn(Cc3ccccc3)c2Br)CC1 1465872475 OJBTUVNAYUGTNF-UHFFFAOYSA-N 416.279 1.892 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@]1(O)CCOC1 1466146625 MXFSXJMYNCXYJX-DYESRHJHSA-N 401.463 1.660 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Cl)c(F)c([N+](=O)[O-])c3N)CC2)c1C#N 1466921324 HNXYQJBKLATLOR-UHFFFAOYSA-N 421.820 1.846 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1)C(C)C 1467660641 VZFFBIUMKVCIBY-AEFFLSMTSA-N 404.515 1.720 30 10 HDEE C=CCn1cc(C(=O)N2C[C@H](c3cnn(C)c3)C[C@@H](C(=O)OC(C)(C)C)C2)nn1 1471246270 ZLMFLYSLXZTTBE-HUUCEWRRSA-N 400.483 1.785 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CO1 1471486676 MUDNRFZARBHADK-CABCVRRESA-N 403.439 1.667 30 10 HDEE COC(=O)[C@@H]1CSCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1473801216 HBJSSHBURFEUSR-CABCVRRESA-N 408.549 1.047 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N[C@@H](C)C(=O)OCC)cc1)C1CCOCC1 1476218866 MIKLKLVRBYXXIW-KSSFIOAISA-N 401.463 1.918 30 10 HDEE CCOCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1503211007 XZWAESFOZYBBRG-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1504748607 GZZOYNPIJYFHQH-GHTZIAJQSA-N 415.494 1.456 30 10 HDEE COCCN(Cc1ccccc1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1504875802 AQNRUTLWVYVADK-FMQUCBEESA-N 410.478 1.766 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(=O)NC(C)C 1507743652 IBSRKVDMKDDHSD-UHFFFAOYSA-N 415.523 1.253 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(N)=O)C1 1507842494 BHRKITWEJWPSPP-CQSZACIVSA-N 416.482 1.300 30 10 HDEE C=C(Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)COC)CC1)c1ccccc1 1507852004 GHJWAOHIIDHUEA-UHFFFAOYSA-N 421.505 1.687 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCC(CO)CC1 1508080851 RSXHQFXPRPADHZ-UHFFFAOYSA-N 408.506 1.948 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508098822 RXXAXCKUQWINAD-IERDGZPVSA-N 421.542 1.625 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1508161439 DUVDWSBAIRPQHU-HNNXBMFYSA-N 413.555 1.913 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H]1CCOC[C@@H]1C 1513923102 FEUBFKZCZSAFTB-ULQDDVLXSA-N 410.526 1.890 30 10 HDEE COC(C)(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1517729544 BKMJERAMFHNKNT-UHFFFAOYSA-N 421.509 1.697 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c([C@H]3CCCO3)nnc2N(CCC#N)CC2CC2)C1 1519528149 AULVJGUOCFPOTG-IAGOWNOFSA-N 422.555 1.541 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)cc(OC)c1OC 1521584144 RGGLZCFZGBVCLE-IKGGRYGDSA-N 419.478 1.273 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)[C@@H](C)COC 1528490417 YFOQCQXSSLKLDZ-INIZCTEOSA-N 423.535 1.203 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)nn1 1529544168 PTPVXRYQWKHTEL-HUUCEWRRSA-N 419.507 1.192 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1529681239 ATHSEPMSGBTNII-QGZVFWFLSA-N 400.475 1.895 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COC4(CCC4)C3)CC2)cc1 1533512180 UIIPNXQBHWMCAC-KRWDZBQOSA-N 403.504 1.787 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(C)(N4CCOCC4)CC3)CC2)o1 1535067941 KPCYVPUQMGABCZ-UHFFFAOYSA-N 401.511 1.784 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCS(=O)(=O)C[C@H]1C1CCC1 1537178483 ZEKLYCCTEJZPGV-HOTGVXAUSA-N 413.540 1.999 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)(C)C 1539071888 GRWHWTIVRBDVOB-MRXNPFEDSA-N 411.572 1.897 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCNC(=O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539203936 WFSWRWPVBYJGFL-OAHLLOKOSA-N 419.507 1.051 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccccc1F 1539239679 ONDNYEPKZJSZNM-MRXNPFEDSA-N 417.510 1.733 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1540923606 JDFSFTNXZYVKBX-VYDXJSESSA-N 409.556 1.588 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1541804632 ZHNAHMYQWIPZQQ-PMPSAXMXSA-N 412.485 1.876 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 1543794038 KUFPPSARCMDOBS-HKUYNNGSSA-N 403.504 1.643 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@@H]3C(=O)NC3CC3)CC2=O)cc1Cl 1544388419 CUEFQYWJGBXERC-SUMWQHHRSA-N 400.866 1.834 30 10 HDEE CCCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1547255892 CKAVNRPNFURGMA-YOEHRIQHSA-N 412.450 1.046 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1547496667 ZESCGGHRYILTIP-QGZVFWFLSA-N 403.531 1.328 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOCC2)CC1 1555993581 AZUBWGHUWKQOAG-UHFFFAOYSA-N 415.542 1.253 30 10 HDEE C#CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C1CSC1 1557438839 HGWSCHIACYZUFS-UHFFFAOYSA-N 423.560 1.024 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 1558073450 SVTBRAKJEPXPRG-UHFFFAOYSA-N 408.480 1.175 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(Cl)cc1 1558511456 SNJAYUAOVVLSPQ-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)OCC)(S(C)(=O)=O)CC2)cc1 1564798523 MRYSUCYZTCMUDR-UHFFFAOYSA-N 422.503 1.351 30 10 HDEE C[C@@H]1O[C@H](C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1C 1565205548 AVBZXJDMOSNOMU-BASYENTBSA-N 406.508 1.386 30 10 HDEE C=CC[C@H]1CCCC[C@@H]1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1584398258 NQJJSXUVJCMGPZ-LRDDRELGSA-N 413.927 1.968 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2cccc(F)c2)cc1 1584633536 IDEHPLFOCWIOCE-LJQANCHMSA-N 402.447 1.951 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(Cc4ccc(O)cc4)CC3)CC2=O)cc1 1587333544 DXLBTOUUKUSQIS-IBGZPJMESA-N 404.470 1.961 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588030376 TUYWZAUSFNZKBP-OAHLLOKOSA-N 420.539 1.527 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588055470 WDQBAUZTBWOLMR-GOSISDBHSA-N 405.568 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1588210951 QDAPRGCKLXPZGQ-UHFFFAOYSA-N 417.473 1.570 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCOC1 1588452474 RTJDOGJDTWIWND-OAQYLSRUSA-N 400.479 1.867 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C 1595170652 GZHILFCKKFUZIQ-QGZVFWFLSA-N 411.510 1.825 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H]1CSC 1595570104 XQMGPBCNBMOKNQ-MRXNPFEDSA-N 403.556 1.774 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(O)(CN2CCOCC2)CC1 1597311337 ALMBYKZCTBULPD-UHFFFAOYSA-N 422.323 1.549 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCO[C@@H]2CCOC2)n1 1612493269 PPGNQXUDZRZMGV-XLIONFOSSA-N 417.489 1.777 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1614864840 SIEMVBKDPIVMEQ-QINHECLXSA-N 403.506 1.936 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3cc(F)ccc3Br)C[C@H]1CS(=O)(=O)C2 1617486583 GXGZOEGRFJRJJE-LRDDRELGSA-N 415.284 1.918 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)NO)cc1)C2=O 1618008544 WYPHYGFXLKESAJ-HXUWFJFHSA-N 402.451 1.313 30 10 HDEE CS(=O)(=O)C1(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1620149449 FJPVBAFBMZVXQT-HNNXBMFYSA-N 419.482 1.314 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1 1620624114 PASQPUXCSWGGPG-MRXNPFEDSA-N 412.412 1.411 30 10 HDEE C=CCCn1cc(CNC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1620925780 WDWODMLRUIXCQK-GOSISDBHSA-N 401.486 1.801 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(S(=O)(=O)c3cccc4c3OCCCO4)C2)nc1 1622192435 GZYDTJDBTZZVRM-HNNXBMFYSA-N 401.444 1.957 30 10 HDEE Cn1ccnc1[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(C)(C)CO 1627656941 UPQYRJVJTBUGGY-HNNXBMFYSA-N 408.455 1.346 30 10 HDEE CCc1ccccc1NC(=O)CN1CCN(C(=O)c2nc(O)c(C#N)cc2C)CC1 1628660767 YBCLIJZMAJLESR-UHFFFAOYSA-N 407.474 1.926 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)c3cc(N4CCOCC4)ncn3)CC2)nc1 1630884764 REQTZUBARSFHJU-UHFFFAOYSA-N 408.462 1.700 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC(CNC(=O)C(F)(F)F)C1 1632898153 QFRLHYKPJVJWOG-GFCCVEGCSA-N 406.405 1.710 30 10 HDEE Cc1[nH]nc(NC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1C#N 1633101376 AVIGEZNZOHILFK-FZMZJTMJSA-N 409.855 1.006 30 10 HDEE COc1ccc([C@H](OC)[C@H](C)NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1633667179 ZUSIZNZDPBTQOR-VGDUNAEUSA-N 407.492 1.351 30 10 HDEE C=CCOC[C@@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)C(=O)OC 1634058682 LDYZTGMMVLKQLI-QGZVFWFLSA-N 403.479 1.659 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 1634876299 KGCACXIGLGXWET-GOSISDBHSA-N 420.554 1.306 30 10 HDEE C#CCN(C)CCCNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1636806055 QZNKFBKWQAHFDX-UHFFFAOYSA-N 416.547 1.486 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1ccc(CN3C(=O)CNC3=O)cc1)C2 1637854597 JWGZLAAYFIZMFN-LJQANCHMSA-N 403.442 1.577 30 10 HDEE COCCCOc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1640468205 ZHNISJPDDGJEIF-UHFFFAOYSA-N 402.407 1.273 30 10 HDEE Cc1ccc(C(=O)NC(C)(C)c2cn(C(C)C)nn2)cc1S(=O)(=O)NCC#N 1643049967 UNMKDJUIITVKRM-UHFFFAOYSA-N 404.496 1.634 30 10 HDEE CN1C(=O)[C@@H]2CN(C(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)C[C@@H]2C1=O 1643752197 YJLWXCYMMLCTPI-IYBDPMFKSA-N 414.893 1.891 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc4c(c3)OCCO4)CC2)cc1 1645405876 QNKTWKKIXXYEAU-UHFFFAOYSA-N 413.455 1.413 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CCO2)cc1 1645728456 YCILGEBIFPSAEV-IBGZPJMESA-N 417.462 1.966 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)c2)cc1 1646010583 BBCMDAMLTNQAHM-LJQANCHMSA-N 414.483 1.759 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1nnc2n1CCN(C)C2=O 1648292601 BKTUMGPGTKUXHT-AWEZNQCLSA-N 413.457 1.270 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1650951401 CBARZYIMZZSLLH-KWEPMOPPSA-N 409.486 1.167 30 10 HDEE N#Cc1cnc(N[C@@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)c(Br)c1 1652297210 MIAVBALYNDKFSR-LOIXOFCESA-N 413.297 1.339 30 10 HDEE N#Cc1ccc([C@@H]2CN(CC(=O)N3CCC(C(=O)N4CCCC4)CC3)CCO2)cc1 1656289115 LBKQGHCFVYNCLQ-NRFANRHFSA-N 410.518 1.793 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1660104394 WZKUHCWNRCLULQ-IEEPAPPKSA-N 421.538 1.837 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1)C(=O)OC 1662441277 QMGJIBBJUFEDGR-OCCSQVGLSA-N 401.868 1.599 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1664254201 TUPYLNJRXAQBOE-QKVFXAPYSA-N 409.327 1.515 30 10 HDEE C=CCC1(NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CCOCC1 1664330631 XQLZSLQZZIIXSD-UHFFFAOYSA-N 420.528 1.491 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F 1665188881 DVTGVGOSWSUZHY-BDAKNGLRSA-N 409.352 1.940 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1665329187 DJJNFNZTMBYDIP-LLVKDONJSA-N 416.286 1.856 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1671198496 BEBUVAWDHPQZPC-MRXNPFEDSA-N 416.521 1.304 30 10 HDEE N#Cc1csc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)n1 1685525082 RRJUGSIAXILDQM-NOZJJQNGSA-N 408.427 1.666 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(C(=O)NCC(=O)NCC#N)CC2 1686402757 GRLUFAZUOZNELU-INIZCTEOSA-N 407.515 1.693 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1689913825 VZFGFNAVMIJOGV-SFHVURJKSA-N 405.543 1.717 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)N1CCOCC1 1689968748 FGFOSBUFPZOZRK-UHFFFAOYSA-N 407.522 1.697 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCOC)CC1 1690114905 KTYIXTADDLLGDL-UHFFFAOYSA-N 414.466 1.272 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)c2ccsc2)CC1 1690120117 HBUXSHUGPAEHDU-HXUWFJFHSA-N 409.519 1.460 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CCC)OC)CC1 1690144312 UMZOFTJSBVTBMQ-DLBZAZTESA-N 416.526 1.010 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCSCC=C)CC1 1690146621 SFJRFLRZVHKWSS-KRWDZBQOSA-N 403.552 1.667 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690449936 VFYRADBQXSUWOD-HXUWFJFHSA-N 402.499 1.901 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CCC1 1690674729 CMULHDKEKHAHBV-UHFFFAOYSA-N 402.524 1.808 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](N3CCOCC3)[C@H](CC)C2)nnc1C(C)(C)C 1690677185 QIMBYTNGJSUEMR-IAGOWNOFSA-N 404.559 1.425 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(C)(C)N1CCOCC1 1694740432 WYBDUXVYBJWVDK-UHFFFAOYSA-N 424.553 1.545 30 10 HDEE CCn1cc(C2CCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)CC2)cn1 1695781375 ODQCAUWIGPOFTR-FMQUCBEESA-N 424.509 1.713 30 10 HDEE CCS(=O)(=O)NCCn1c(C)nnc1N1CCC[C@H](Cc2ccc(C#N)cc2)C1 1696501389 PIJMISBIQGQLHU-LJQANCHMSA-N 416.551 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1705490265 GJPDPCMKUCHIEK-NYHFZMIOSA-N 422.489 1.455 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705532418 NLPDVCLBGRSGQE-INIZCTEOSA-N 418.519 1.944 30 10 HDEE C#CCN(c1nnc(CC)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1705571278 XSVRSVICSBNXST-KRWDZBQOSA-N 421.567 1.258 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1705572603 HYZLIKYEKKRKLD-UHFFFAOYSA-N 424.892 1.237 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccnc(SC)c1 1705630337 PLGNHNSEOYLRER-UHFFFAOYSA-N 414.535 1.652 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCC[C@H]2C)CC1 1705634943 NDDLJYNEHDZCBH-QIJUGHKUSA-N 417.554 1.237 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2CC2(C)COC2)CC1 1705643115 SQDXPQUYBWFRTN-UHFFFAOYSA-N 411.506 1.657 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705730037 AGTMMJMIUWDWQJ-UHFFFAOYSA-N 403.487 1.236 30 10 HDEE C=CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705809199 KGVMOFIAHNJCAH-QFBILLFUSA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705898691 ULLMLWKTMYNUQM-IBGZPJMESA-N 415.885 1.155 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(CC(C)C)C(=O)C2)nnc1C(C)(C)C 1705938824 KHWZVUHKKCMGAL-UHFFFAOYSA-N 411.572 1.481 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CC=CCC1 1711983064 ZTGMFACIBAFPNT-IBGZPJMESA-N 408.506 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722274388 LZCPDOHPFUQOEQ-KURKYZTESA-N 416.570 1.860 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1722313250 RXCFZBIDZFUQGN-MRXNPFEDSA-N 421.509 1.619 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccccc1)OC 1722341900 GGBIFYGZYHEINI-RDJZCZTQSA-N 405.524 1.215 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368233 PVVPTPPIODIWQV-ZWKOTPCHSA-N 423.583 1.139 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1722608641 IYBFAEBSIBNTAP-ZBFHGGJFSA-N 412.560 1.207 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2Br)n1CCS(=O)(=O)NC 1722637066 ORACMVDIEDIKEO-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722698670 JZMWAPWURAHIAS-CYBMUJFWSA-N 415.416 1.432 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722699030 QNOFOHNUFVHXOG-IRXDYDNUSA-N 413.526 1.592 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](CCOC)C1 1722700381 GWSQKMOXTWMBGN-OAHLLOKOSA-N 404.540 1.799 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722742664 BQBHBWDKNDONAZ-KGLIPLIRSA-N 407.496 1.434 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCSC2)CCOC1 1722863161 IDSQRNYTCKFUQM-ATZDWAIDSA-N 409.556 1.783 30 10 HDEE C[C@H](Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C)N(C)C 1723864028 GIFRVAXBVPQJBJ-HZPDHXFCSA-N 411.558 1.902 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)cc1C 1724438314 MCJVNJFDLFDWCJ-AVRDEDQJSA-N 424.505 1.681 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726612572 AHHRWQPYPXONIW-VAMXVVNJSA-N 400.483 1.543 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccc2)nnc1N1CCC(CO)CC1 1731216068 DMQDGJFBUFQFBH-VZCXRCSSSA-N 422.489 1.680 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1occc1C 1740637287 WXRMQKLSYQFPTN-UHFFFAOYSA-N 403.446 1.529 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1740646299 VJZFXJZVFRMHMG-OAHLLOKOSA-N 414.416 1.813 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1740663607 NLUDPPWTOGKLLN-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(COC)CC1 1740795276 RGDKNQDZFGZFEG-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1740864758 PVKMOOSCNVMHBY-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1740883414 SOCACRIUICCWLJ-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CCCO)C1 1741983989 GJEJEAPIHZNULI-LAUBAEHRSA-N 410.526 1.712 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)C(C)C)cs1 1742577938 OPCZWETXVODVAX-SFHVURJKSA-N 405.503 1.848 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CCCCN2CCOCC2)n1 1742679584 QPLXZFPHYQUZSY-QGZVFWFLSA-N 414.558 1.848 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC 1748104623 AYHLPAIBZWBJEK-BTYIYWSLSA-N 414.510 1.423 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1748639693 KSINLLLXQUIRGQ-LSDHHAIUSA-N 416.551 1.668 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748811844 MLJRNVKGMYDEOC-AWEZNQCLSA-N 422.461 1.407 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCc1ccn(C)n1 1748858236 NJNUELFXTCPFAG-FQEVSTJZSA-N 402.458 1.840 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H](OCC)C(C)C)CC1 1748991259 UWNUCOWBTHYBQT-ROUUACIJSA-N 402.543 1.436 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1749487430 DIMHHNOHZVZSLN-CYBMUJFWSA-N 409.537 1.294 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H]1CC 1749721350 HXIPOLLLTMVCPU-CVEARBPZSA-N 409.556 1.740 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@@H]1CCOC1 1750069978 PCMGWJHSQLXEKB-HUUCEWRRSA-N 416.482 1.797 30 10 HDEE CC(C)CN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1=O 1750832819 OFRQYCIYEQDXCT-UHFFFAOYSA-N 413.482 1.234 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1751094691 MYCIFNPEOPRXLD-YKTARERQSA-N 423.539 1.257 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760151533 FFUSMRYGHLJXME-MRXNPFEDSA-N 419.555 1.200 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCCC1(C)C 1760210842 XTOPCIXWVVUHBN-JXFKEZNVSA-N 421.567 1.292 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCSC1 1760242672 LFVNEEHRMGOWDJ-CABCVRRESA-N 415.585 1.118 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CC=CCC1 1760248232 FHUYNVOBAQETQB-UHFFFAOYSA-N 412.494 1.354 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cccn2)CC1 1760255097 BXESANQBSUYPJJ-UHFFFAOYSA-N 400.490 1.859 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760359853 MLXDGNCGHIGTAA-QZTJIDSGSA-N 406.527 1.964 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)N2CCOCC2)CC1 1760400966 VLZDUTNJZWFFBC-QGZVFWFLSA-N 402.543 1.742 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760508853 OOHILYNMXYWASL-UHFFFAOYSA-N 410.522 1.884 30 10 HDEE CC(C)C(=O)NCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1760846363 GDZJCANCVBSIJO-KRWDZBQOSA-N 414.485 1.899 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)o1 1761760358 HYDYCNUQCIRIKH-ROUUACIJSA-N 414.510 1.812 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCNC(C)=O)CCOC1 1767451070 MVIOINLKFVDRBF-PMACEKPBSA-N 404.515 1.586 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CCC1 1769818724 CYJVOZPVEKBMTF-GOSISDBHSA-N 424.505 1.669 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cccnc3O[C@@H]3CCOC3)CC2)nc1 1853281325 CTBMKNBQEBEGNG-GOSISDBHSA-N 423.473 1.495 30 10 HDEE C=CCN(C(=O)CN1CC(=O)N(CC)C1=O)c1nc(-c2ccccc2)ncc1OC 1853314510 OVZUTOAERJWARP-UHFFFAOYSA-N 409.446 1.955 30 10 HDEE C=CCC1(S(=O)(=O)N(Cc2cn(Cc3ccccc3)nn2)[C@H](C)C(N)=O)CC1 1853441270 CRZYRSCSJJFQKM-OAHLLOKOSA-N 403.508 1.441 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCCN2CCCC2)c2cnccn2)c(C)c1 1853524973 PNMWEZLMFALAGV-UHFFFAOYSA-N 403.508 1.846 30 10 HDEE CC(=O)N1CCN(C(=O)CCON=C(N)c2ccc(OCc3ccccc3)cc2)CC1 1853591645 SPFVLRZSHYJXBP-UHFFFAOYSA-N 424.501 1.983 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4cc(C)no4)CC3)CC2=O)CC1=O 1853961116 XJABLOXGGCYHLP-ZWKOTPCHSA-N 414.506 1.605 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(Cc4cocn4)C3)CC2=O)cc1 1854183987 HKVJQTDYZBAYQV-HXUWFJFHSA-N 407.474 1.424 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)CC(F)(F)F)C2=O)CC1 1854804314 SZADFADUORLDOG-OAHLLOKOSA-N 409.412 1.935 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)c2nccnc2N2CCOCC2)C1=O 1855824682 UATPHKRYWZTEPS-ZWKOTPCHSA-N 413.522 1.875 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCN(c4ccccn4)CC3)C2=O)ccn1 1856571743 MBKZJAVACNBRFW-IBGZPJMESA-N 404.474 1.692 30 10 HDEE CC(C)c1oncc1C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857070204 JRKZWUAXNXZGDA-KRWDZBQOSA-N 408.462 1.628 30 10 HDEE Cn1ccc(C(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CCC2=O)n1 1857211097 GWPMKPMGMNUJAT-INIZCTEOSA-N 406.490 1.945 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@H]1CCN(C)C1=O 1857252480 FZLAELIBEBEUSY-RDJZCZTQSA-N 400.479 1.106 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2=O)CC1=O 1857302804 PFLLATJXYFQXCM-OAHLLOKOSA-N 409.408 1.911 30 10 HDEE C=CCNC(=O)Nc1ncccc1OCC(=O)Nc1nc(CC(=O)OCC)cs1 1858791353 FPKMAGCYILNPKC-UHFFFAOYSA-N 419.463 1.969 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 1861175268 YRTAMGNQPOKICO-GOSISDBHSA-N 420.941 1.605 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)CCCc1ccc2c(c1)OCCO2 1866789316 LCHZOGLIFLSNBS-SFHVURJKSA-N 409.442 1.768 30 10 HDEE C=CCN(CC=C)c1nc(NC(=O)c2cnc(C)cn2)n([C@H]2CCS(=O)(=O)C2)n1 1870004936 QEVLVAQERWWVOU-AWEZNQCLSA-N 417.495 1.167 30 10 HDEE CC(=O)Nc1ccc(-n2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 1870148748 BLICQGHGJTVNEX-ZDUSSCGKSA-N 409.450 1.683 30 10 HDEE N#Cc1cccc(NC2=C(c3cccnc3)C(=O)N(CCCN3CCOCC3)C2=O)c1 1873271586 XYMKEADJJAGMDG-UHFFFAOYSA-N 417.469 1.868 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N[C@H]1CCOC[C@H]1NC(=O)OCc1ccccc1 2118165571 CLNRVFXWQQGHKA-DOTOQJQBSA-N 416.459 1.315 30 10 HDEE COC1CN(S(=O)(=O)N(C)Cc2csc(B3OC(C)(C)C(C)(C)O3)c2)C1 2161948308 RQZNREQBIXWPRN-UHFFFAOYSA-N 402.347 1.055 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(N)cc2C#N)CC1 2163009026 OHQKDKFPASPKSU-UHFFFAOYSA-N 414.509 1.548 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([S@@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174789570 RXBNGZZZAQUSRB-IYJVBRSBSA-N 414.509 1.749 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 2180103982 KCLQUFKUXQLOBY-RYUDHWBXSA-N 412.430 1.481 30 10 HDEE C#CCOCCOCCNC(=O)[C@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2193906568 HAUNNLCERFGVJF-OAHLLOKOSA-N 400.541 1.900 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243387596 XBBGGBVCDAKWOX-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE Cc1c(C(=O)NC[C@@H](C)NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247780137 FRPKRCBWWQKTJX-GFCCVEGCSA-N 422.335 1.671 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838543 JIRSNULYKKABSM-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE COCCCN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247922929 PSVYXWQBXXWKJG-UHFFFAOYSA-N 414.315 1.793 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250003068 SIMFWFUDUFRKEU-AWEZNQCLSA-N 423.319 1.286 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2267469603 YGSHABUMIFGIBP-XMMPIXPASA-N 407.388 1.321 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2270494112 JFTNWENVBSDMSX-KRWDZBQOSA-N 417.443 1.768 30 10 HDEE Cn1cc(C(=O)NCC2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)n1 2281957800 BIBRNAMXTJHQMB-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCNC[C@H]3F)cc2Cl)OC1(C)C 2282305421 YOPSBNQRBSIVHH-MNOVXSKESA-N 424.756 1.679 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@](C)(CN)C1CC1 2282325881 LBEZNZXJPKNNDX-KRWDZBQOSA-N 400.375 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1CC(O)C1 2282328253 UYPFHAAIUJFSNN-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE CCN[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282336693 AYCIBSWZNAQQJP-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCC[C@H]3O)ccc2Cl)OC1(C)C 2282495710 QEGYNXLONLTFMH-HUUCEWRRSA-N 401.721 1.831 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCCC23OCCO3)n1 2282589392 NGLPZAQGQMSQKP-HNNXBMFYSA-N 405.304 1.618 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)C[C@H]1C 2282835547 WLIFROQSYZOEFG-YPMHNXCESA-N 401.359 1.890 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCC2(O)CC2)c1B1OC(C)(C)C(C)(C)O1 2282840278 FWCZRSWNQDUZEU-UHFFFAOYSA-N 401.359 1.857 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCCCN3)c2)OC1(C)C 2282848393 MYMPOGQPAUHLTN-CQSZACIVSA-N 400.375 1.858 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284399860 OZWJBPNAOYKTHM-UHFFFAOYSA-N 403.331 1.143 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)O2)sc1B1OC(C)(C)C(C)(C)O1 2284414513 HZLYYBXFYHOLDU-SNVBAGLBSA-N 403.287 1.135 30 10 HDEE COc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)C)C1 2329013287 KXTNINUOLMMUDN-CQSZACIVSA-N 416.507 1.471 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 2345084893 FSAWDADVBYKNJP-YLJYHZDGSA-N 422.503 1.527 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H]4CS(=O)(=O)[C@H]4C3)c2Cl)OC1(C)C 2361658441 JKKHPIBLWDGPSS-KOLCDFICSA-N 417.745 1.570 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(N(C)C(=O)OC(C)(C)C)CC(OC)C1 2365199444 OEGDHINKEQQNBY-HVEKOLDVSA-N 402.557 1.816 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2365212293 QZESGEJSUIOIKU-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE C[C@H](C[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365248722 QESVTBXEUSHABE-KGLIPLIRSA-N 405.513 1.976 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367812828 XJLAUDJWSXNCGM-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(N4CCN(C)CC4)nc3)cc2C1=O 11532894 CYJDFVPAHMQWMP-UHFFFAOYSA-N 419.485 1.545 30 10 HDEE CC(C)(C)N1C[C@H](C(=O)N2CCC(C(=O)N(CCC#N)CCC#N)CC2)CC1=O 20368839 GXTWTROTRBFROR-QGZVFWFLSA-N 401.511 1.528 30 10 HDEE Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2 20527775 LWHYICDWARJXIC-DJKKODMXSA-N 415.435 1.533 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 27560217 ITUWFHGSHRTSGZ-HNNXBMFYSA-N 408.930 1.904 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 43610651 KARVVKRVOKVLTL-BZSISCHUSA-N 402.539 1.747 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CN3C(=O)[C@@H](CC)Oc4ccc(N)nc43)cc21 96497254 PPZRCBIRSSECIJ-MRXNPFEDSA-N 422.441 1.962 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](C[C@@H]1CCCN(S(C)(=O)=O)C1)NCC 407674123 VGXDPYAVIJIJNC-ULQDDVLXSA-N 401.573 1.943 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2Cl)CC1 430350197 GQJLKBJDGZRJRI-UHFFFAOYSA-N 410.883 1.628 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)COCc3ccccc3)CC2)cc1 434545297 VGMLFFKTXPKVJL-FQEVSTJZSA-N 415.515 1.442 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]2C 440163744 MNXHWLBBQJKIFD-ZIAGYGMSSA-N 416.507 1.543 30 10 HDEE Cc1ccn2c(NC(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)nnc2c1 446653545 MZBAGRLXACNCAA-UHFFFAOYSA-N 424.486 1.949 30 10 HDEE Cn1c(N2CCC[C@@H](NC(=O)c3ccc4ccccc4c3)C2)c(C#N)c(=O)n(C)c1=O 447198015 CTBWIXJAKVHPEC-GOSISDBHSA-N 417.469 1.508 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)N1c2ccccc2NC(=O)C1(C)C 464862090 GNQXMYDJLYDTFM-HNNXBMFYSA-N 419.489 1.623 30 10 HDEE CN1CCN(c2ncccc2CNS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481028802 YANJUABHYUTVJL-UHFFFAOYSA-N 403.483 1.464 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN([C@H](CC)CO)CC2)cc1 485015469 HNKFPHVNTBAJLG-QGZVFWFLSA-N 410.540 1.414 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CCC(c4ncc[nH]4)CC3)n2)cc1 490898437 HRTUXVXBNVOBBQ-UHFFFAOYSA-N 404.434 1.266 30 10 HDEE C[C@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1=O 499421612 NPKBSKBJHBSVDX-CXAGYDPISA-N 405.252 1.850 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 516325128 IWOYELZTMIZQKW-HRCADAONSA-N 418.519 1.648 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C[C@@H](C)C#N)C2CC2)c1 533142190 KCUUXGSFLITCMQ-HNNXBMFYSA-N 420.535 1.598 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 533989592 YJHFJZKRSKRRHZ-UHFFFAOYSA-N 415.416 1.109 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(F)cc2Br)CC1 548655578 YGUZNBWJFWHULW-UHFFFAOYSA-N 413.291 1.718 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2CCOC[C@H]2C1 549687811 ICKDPBPBBHHDKN-QGZVFWFLSA-N 417.535 1.446 30 10 HDEE CN1CCCC[C@H]1CCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558354343 OAGRSFQUFLLIJQ-SFHVURJKSA-N 404.536 1.656 30 10 HDEE N#CC1(CS(=O)(=O)N2CCNC(=O)[C@@H]2c2ccccc2Br)CCC1 576984416 JCEBAHDRMMVZKX-AWEZNQCLSA-N 412.309 1.946 30 10 HDEE CCN1C(=O)[C@H]2CN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CCN2C1=O 610591068 DDDDDFZUMVOVJU-GFCCVEGCSA-N 416.381 1.234 30 10 HDEE Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1C#CCO 703982053 GICYPJMAUFAISV-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 725768364 KGNGHNQSYRHBAA-QFIPXVFZSA-N 415.457 1.372 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 728986855 MTZAEBWSNNJTSU-UHFFFAOYSA-N 406.391 1.506 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1NC(=O)c1ccco1 732706667 MFPKHNLRIGJXHW-KRWDZBQOSA-N 421.457 1.978 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)C[C@H]3CCS(=O)(=O)C3)ccc2c1=O 740846255 GAAAMEONWMYLNZ-GFCCVEGCSA-N 407.517 1.378 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1N1CCCS1(=O)=O 741073943 SVLDPWCVYSVTHU-KRWDZBQOSA-N 403.508 1.739 30 10 HDEE CN(C(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1)C(C)(C)C#N 750421777 PUMYZGQZQIHVHA-UHFFFAOYSA-N 407.228 1.342 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)ccc1F 752584445 QMTRZEIOOQDEPK-MRXNPFEDSA-N 406.391 1.677 30 10 HDEE COc1cc(CN2CC[C@@H](NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc(OC)c1 756093280 DUSUAOYNSVEGFJ-MJGOQNOKSA-N 413.522 1.660 30 10 HDEE COc1cc(N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc(OC)c1OC 760086811 WEAWGHSIAJLGFB-HXUWFJFHSA-N 411.458 1.966 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nn(CN2CC[C@@H](NS(C)(=O)=O)C2)c1=S 764994902 UKAUNPIILODSGN-OAHLLOKOSA-N 423.564 1.857 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2cc(OC)c(F)cc2C1)c1cc[nH]n1 772527507 WZDFWWFHONUBCS-UHFFFAOYSA-N 404.398 1.426 30 10 HDEE C#CCN(C(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 774043131 KDDIZMLXIXTLHO-GFCCVEGCSA-N 419.912 1.366 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780286255 ASILMEUOSDZZNJ-IERDGZPVSA-N 406.527 1.080 30 10 HDEE Cc1ccnc(-n2cc(S(=O)(=O)NC(=O)C3(c4ccc(C#N)cc4)CC3)cn2)c1 781520910 IXIGDFCBMGNFJB-UHFFFAOYSA-N 407.455 1.984 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)c1 794984490 SCRMFDINENBTOY-GHTZIAJQSA-N 421.501 1.844 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)[C@H](O)c1ccc(C#N)cc1 804742444 ACGBWXRRLXEJCW-QGZVFWFLSA-N 407.879 1.648 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 809710935 DIQOGLZMCMQGQV-VFNWGFHPSA-N 418.494 1.274 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCc2noc(C)c2C(=O)OCC)cc1 811071814 RDRAPWXUYUEWPP-UHFFFAOYSA-N 406.416 1.428 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C\C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 918684679 UEDMGKCYXWNEJW-UITAMQMPSA-N 411.487 1.687 30 10 HDEE CCOc1cc(C=NNc2nc(SCC(=O)Nc3nc[nH]n3)n[nH]2)ccc1O 1084517646 DCNWAOLXBXJKQJ-UHFFFAOYSA-N 403.428 1.204 30 10 HDEE COCCCn1nc(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)ccc1=O 1128267354 CZZBMQMYEWTUBL-UHFFFAOYSA-N 411.462 1.666 30 10 HDEE Cc1cc(C#N)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)n1 1129268571 BVZRUKUXXYXCRW-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1132695125 OKPMAGZGCHPYFC-MRXNPFEDSA-N 410.517 1.868 30 10 HDEE Cn1c(=O)c2ccc(NC(=O)[C@@H]3CCCN3c3ccc(C#N)cc3)cc2n(C)c1=O 1134136541 HIIINNQIBWMNCS-SFHVURJKSA-N 403.442 1.716 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2cnc(N)n2)c1 1136304166 VAKMGQCSCYTXBK-PXLXIMEGSA-N 405.484 1.092 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CN(c3ccncn3)C2)C1 1152385460 VBJATLTWFDLNBW-UHFFFAOYSA-N 413.279 1.552 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1159761198 BSNYWENNEVMXQP-GHMZBOCLSA-N 421.338 1.022 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4nccnc4C#N)C3)[C@@H]2C1 1163978959 IFZHUKJAQQHEKQ-YUELXQCFSA-N 400.439 1.367 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc1OC 1175204677 QNUDNZFCUVSUTA-WVRJYTFGSA-N 400.475 1.763 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2O)cc1 1179882818 CDAIUQOROSXCFA-UHFFFAOYSA-N 420.443 1.904 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCC#C[C@@H]2CCCCO2)C1=O 1180363342 UDQZFKDVXZAOCK-IRXDYDNUSA-N 407.511 1.438 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1231276192 WKVTYHGXQRNRTL-GUDVDZBRSA-N 417.531 1.560 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCCCc2ccc(S(N)(=O)=O)cc2)n1 1256306007 WHZNSLGBKNFOED-UHFFFAOYSA-N 403.508 1.328 30 10 HDEE N#CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccc(Cl)cc1 1277361327 XDAZHPKINOFKGX-AWEZNQCLSA-N 408.867 1.362 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1286358049 RXEYWVYDLMQFGQ-MRXNPFEDSA-N 411.462 1.920 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccccc1OC)[C@H]1CCS(=O)(=O)C1 1286390244 ZCPLJZIEXWZQJN-KRWDZBQOSA-N 400.504 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)NC(C)C 1286408048 ZUSXIBYSYSCBHD-UHFFFAOYSA-N 417.473 1.581 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 1286496294 CHUYDTWJPQBRNN-HKUYNNGSSA-N 418.611 1.770 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@]1(O)CCS(=O)(=O)C1 1286526353 RLBKIDZFAZDOBL-ATZDWAIDSA-N 408.524 1.061 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C2COC2)nn1 1286566547 IJPHWCJTGRIXBU-UHFFFAOYSA-N 423.481 1.539 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1288080510 SSRGMRSLNMVQBB-LAUBAEHRSA-N 416.526 1.884 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1294889586 WQSKNQLIDHJCRL-SFHVURJKSA-N 419.493 1.776 30 10 HDEE N#CC1(CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CCOCC1 1295156127 ZRSLZGWPAIZTAD-UHFFFAOYSA-N 407.477 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](S(C)(=O)=O)C3)C2)C1 1296940191 SIBONMAVMHEDCK-QXGUJMOYSA-N 411.524 1.419 30 10 HDEE CN1C[C@](C)(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1298877054 LBKGDQHEOCOWRO-DYESRHJHSA-N 410.478 1.107 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCCCC1 1300663477 CXOOQOOTAYBATG-MSOLQXFVSA-N 402.543 1.437 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CCC)C1 1300780500 RNTBTLNDCGSOKF-MBOZVWFJSA-N 422.599 1.612 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1301371784 SMKIMVUYQMLJPW-UHFFFAOYSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC(=O)N(C)[C@H](C)C1 1301484106 ASCYVNQPRGFQQP-CQSZACIVSA-N 408.462 1.660 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301609131 DBGHHQCODUVBMO-UHFFFAOYSA-N 404.540 1.002 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1303641910 FPTKWROVYCZXDO-FOIQADDNSA-N 402.474 1.801 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CC1 1303790050 GZAGXIWPBRPWEI-IRXDYDNUSA-N 419.547 1.312 30 10 HDEE CCn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(=O)c2cc(Cl)ccc21 1306903303 XIJQCTMQNMWHFU-HXPMCKFVSA-N 419.890 1.685 30 10 HDEE N#C[C@]12CN(Cc3cc([N+](=O)[O-])ccc3Br)C[C@H]1CS(=O)(=O)C2 1308129064 YHHWQKGUFVXDHQ-SMDDNHRTSA-N 400.254 1.727 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)ccc1Br 1309503353 DBJRAKUPINKFSW-BETUJISGSA-N 400.298 1.462 30 10 HDEE C#CCC[C@@H](O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1310960538 LUORMJNUQGOLDQ-MRXNPFEDSA-N 409.508 1.166 30 10 HDEE N#Cc1nc(NC(=O)NCCS(=O)(=O)NCC2CCC2)ccc1Br 1311071459 CIRSWSRKEHPBPB-UHFFFAOYSA-N 416.301 1.557 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1ccoc1 1314873388 BVNWGLYLJKBNJA-UHFFFAOYSA-N 400.464 1.443 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCN2CCOC2=O)c1 1316528428 DMKLKTKTSBEFMO-UHFFFAOYSA-N 423.477 1.361 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3c(C)nn(CC(=O)OC)c3C)cc2C1=O 1324725558 RZKXETOFQPDSFR-UHFFFAOYSA-N 410.430 1.385 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1338211578 QAOCWEQZLPFKRN-NRFANRHFSA-N 408.414 1.317 30 10 HDEE CC(=O)N[C@@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C 1354285424 IWIYFWCPZPBORQ-YQPBSLOJSA-N 408.524 1.989 30 10 HDEE C=C(C)COCCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1359132529 ZUAQCAQNZINLBR-INIZCTEOSA-N 411.572 1.999 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(S(C)(=O)=O)CC2)CC1 1359160265 PYYIUKDUDSEBIC-LJQANCHMSA-N 410.540 1.664 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)C1 1359319930 JAYFPKDOMPNSSA-HZPDHXFCSA-N 410.540 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(CC)Cc1cnn(C)c1 1359331203 QLZBEMZJKFYGGN-UHFFFAOYSA-N 416.511 1.096 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC(C)(C)O 1360469541 DHDUHEHPZNWTSQ-CQSZACIVSA-N 420.539 1.705 30 10 HDEE CC(C)(C)OC(=O)[C@@H](Cc1ccncc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1452415549 CDZAFCDHEMLTTF-AMGRQBIBSA-N 414.462 1.367 30 10 HDEE CNS(=O)(=O)NCC(=O)Nc1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1457880481 PJUXXYKAOOSPKW-UHFFFAOYSA-N 411.299 1.968 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)NC2(c3ccccc3)CCC2)c1=O 1459083530 AXZHMJSWHWQAKD-UHFFFAOYSA-N 406.486 1.748 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S(=O)(=O)C(F)F)n1 1459759434 PXSQUTLPAOIDOZ-UHFFFAOYSA-N 411.430 1.801 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1461243984 SVFPBZMZHVVPHJ-KDOFPFPSSA-N 413.865 1.898 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1463611300 XKYUZYWSLARKBO-XPTSAGLGSA-N 421.288 1.947 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1464618318 NBMRAKQAWGBOOR-UHFFFAOYSA-N 424.466 1.698 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2OCC)CC1 1465897549 NHFLCPFVXCWXGW-UHFFFAOYSA-N 400.888 1.356 30 10 HDEE Cc1cc(C)nc(C2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)n1 1471080004 XGCSISYTUHIWMU-GOSISDBHSA-N 418.457 1.796 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NC[C@@]12COCCN1C(=O)COC2 1471098886 IVNVNAKGQOYXPL-FQEVSTJZSA-N 405.499 1.180 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc3c2OC(F)(F)O3)n1 1475262377 YWCWEDCVPJFTNM-UHFFFAOYSA-N 413.402 1.675 30 10 HDEE Cc1nnc(N(C)CCOc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1492787406 DBZFRDUSIMYKAK-HNENSFHCSA-N 414.441 1.767 30 10 HDEE Cc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1Cc1ccc(C#N)o1 1492805956 XGYKBYZCMKGUPC-UHFFFAOYSA-N 408.466 1.479 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1COC 1504998721 KHOSAVUEEAVLGS-VQIMIIECSA-N 415.494 1.926 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)cc1 1507514811 FAZIKQCTOZOANY-CVEARBPZSA-N 419.551 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1Cc1nnc2n1CCC2 1507670382 JTDDEUCDZFEZJO-UHFFFAOYSA-N 415.501 1.926 30 10 HDEE C#CCN(CC)c1nnc(CC2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507692130 NYVXOHVHORWFCB-MSOLQXFVSA-N 405.568 1.894 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(c2nccc(OC)n2)CC1 1507807470 VRWCJSBRXYKMPK-VQIMIIECSA-N 413.526 1.947 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1507967636 IUZCZZSAERLNFB-ACJLOTCBSA-N 411.503 1.557 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cnnn2)C1 1508115134 ICDAFMNCSFBVTK-OAHLLOKOSA-N 415.889 1.852 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1508130522 IMTMBKHOHFFKBQ-JONQDZQNSA-N 407.540 1.252 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC2CCOCC2)n1 1511140513 OFCLQIHBRFBORH-GOSISDBHSA-N 412.494 1.963 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc([N+](=O)[O-])c(N(C)C)cc3F)CC2)c1C#N 1516426590 XSYZENWTEFIVRN-UHFFFAOYSA-N 415.429 1.676 30 10 HDEE CN(C)C1(Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1516999261 UDFYAIBXJDVJRN-QGZVFWFLSA-N 416.551 1.770 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C)C1[C@@H]2CCC[C@@H]12 1517044163 VMNNZLYZCMPUCQ-IAGOWNOFSA-N 414.535 1.943 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@H]1C 1519205610 FGSLGAVYWCJOKX-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE COCCOC1(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1519344211 JIUZBGDLXRFSCB-IBGZPJMESA-N 418.473 1.927 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2ncc(C#N)cc2Cl)C1 1537344375 ZLCXULQYOZGZSC-UHFFFAOYSA-N 405.842 1.168 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1537837922 HSOMGQZJUUUMHK-UKRRQHHQSA-N 413.434 1.180 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1539155099 SOIJIPWLUJYTGR-YLJYHZDGSA-N 404.511 1.931 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1539343898 ROPPVSHGJGDKQK-OAHLLOKOSA-N 405.524 1.713 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1539387897 YCTSJTJKSKRXPA-LJQANCHMSA-N 407.426 1.593 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N1CCCCC1 1539392119 MGLQNZNHBPQGPU-UHFFFAOYSA-N 416.526 1.003 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1539519213 FLNJOTVBJJYHTG-IBGZPJMESA-N 415.538 1.895 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCN1CCN(C(C)=O)CC1 1539552210 KMDZFZLTPNYVHZ-JOCHJYFZSA-N 407.522 1.496 30 10 HDEE C=C(Cl)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1539821318 XSZCTKRASSTGQA-KRWDZBQOSA-N 420.963 1.942 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1)C1CC1 1540108742 LUDKIHKJOPMDSH-INIZCTEOSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540866814 BBPITGWIFWZSPV-UHFFFAOYSA-N 410.522 1.988 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](COC)C1 1540875113 BQNKUVXRAUXTPP-OAHLLOKOSA-N 419.457 1.150 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)COC)C1 1540883327 XXYOQAXWQMPFCN-HOTGVXAUSA-N 400.483 1.989 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC1CC1 1541159283 JKLYJIIQCFBBOE-UHFFFAOYSA-N 422.537 1.695 30 10 HDEE CC(C)C(=O)NCCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1541289073 XOXFGKKXVDAALW-UHFFFAOYSA-N 411.510 1.883 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)CCOC1 1541725670 MOWSYCKIAYANCP-MSOLQXFVSA-N 404.450 1.052 30 10 HDEE O=C(Cc1csc(COc2ccccc2)n1)NCCN/C(O)=C1/N=CC=CC1=O 1542978730 WMCJLFFHYOPKJP-VXPUYCOJSA-N 412.471 1.907 30 10 HDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)cn1 1554336588 GLUJKSHYHNPMPR-JOCHJYFZSA-N 418.505 1.885 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCSC1 1556092400 BZZIWLIMGUSWAU-BANHHRGYSA-N 423.535 1.938 30 10 HDEE C[C@H]1C[C@H]1c1noc(CC2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)CC2)n1 1557378844 QLPNRYRYPLYAAE-SWLSCSKDSA-N 412.450 1.198 30 10 HDEE C=CCCn1cc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nn1 1560751443 SHRJVSVMXGZXQE-LJQANCHMSA-N 412.542 1.209 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3cccc(CC#N)c3)CCO2)cc1 1561781021 GPQIWUXUALNJEH-LJQANCHMSA-N 420.512 1.918 30 10 HDEE COc1cc(C#N)ccc1C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 1567435830 CHXFYDMIAADYFP-UHFFFAOYSA-N 402.476 1.659 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2 1583445366 NJSVHNYRDOZAOP-FQEVSTJZSA-N 412.506 1.656 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCO[C@](C)(C#N)C2)C1 1585431265 AUKKALLJHZECIW-IOMROCGXSA-N 401.463 1.944 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nn1 1586306904 RLDJQQAGQYMXMN-UHFFFAOYSA-N 405.480 1.900 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(O)CCC2)c1 1587689673 OWYVGLXAHMILFA-UHFFFAOYSA-N 417.473 1.706 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1587856588 NNLAAMHWLHOLRG-OALUTQOASA-N 419.595 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCCC1 1588099380 LXPNDINDZFZKQP-UHFFFAOYSA-N 411.531 1.517 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CC[C@]2(CCOC2)O1 1588262764 KZAMMKLPLHLMLV-DYESRHJHSA-N 403.527 1.994 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCCCOC)CC1 1588733482 UYHRQUXIAQMUIN-UHFFFAOYSA-N 411.510 1.497 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCn2cccn2)CC1 1588762325 GQBJMBFCXYXQNX-UHFFFAOYSA-N 405.506 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)CC1 1588769276 QYGDNSNXGFNCPU-UHFFFAOYSA-N 405.506 1.344 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCSC2)CC1 1588955484 YOVMERZPKORJOB-SFHVURJKSA-N 424.574 1.983 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CCC[C@@H](C)C2)CC1 1594014585 SYTFWZFWIOGSQC-SJORKVTESA-N 410.588 1.777 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1595530223 XGUBARRFMDFQFZ-INIZCTEOSA-N 413.526 1.265 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1595544341 HFWJFLRWFULDOX-WMZOPIPTSA-N 413.526 1.624 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1596813253 GPHVQMLGXYNPFR-PKOBYXMFSA-N 424.553 1.879 30 10 HDEE C=CCN(C(=O)Cc1csc(SCCN(C)C)n1)[C@@H]1CCS(=O)(=O)C1 1597170945 QVXVIXFVHOVEBU-CQSZACIVSA-N 403.595 1.541 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)CC2)C1 1598208733 QVJFZNXRDWKQRS-HKUYNNGSSA-N 416.449 1.194 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNS(C)(=O)=O)n1 1612200583 IUGGKNLPLGYJSJ-QGZVFWFLSA-N 407.475 1.030 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCO[C@H]2CCOC2)n1 1612493267 PPGNQXUDZRZMGV-FXAWDEMLSA-N 417.489 1.777 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccc(OC)cc2)n1 1616134010 YPGPGKDEEJVWMQ-MKXGPGLRSA-N 411.462 1.584 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1617868725 HSRGZWHWRGLDQN-UHFFFAOYSA-N 405.466 1.199 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1618453308 PKVFPJTUERRKHE-IAGOWNOFSA-N 422.526 1.813 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1Cc1ccc(C#N)o1 1620022960 XFFXWUQQJZEJIC-HZPDHXFCSA-N 416.482 1.036 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1620164677 RBHGKCQDTXTZPG-HXUWFJFHSA-N 415.519 1.868 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCO)CC1 1620351765 HXKPRXWESMGVFF-GOSISDBHSA-N 423.521 1.590 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1622318440 SLIDVPWFMQNSTP-SECBINFHSA-N 424.700 1.942 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1 1627302551 CQOKGKNRJZLRSH-HOTGVXAUSA-N 405.499 1.705 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1627843053 MPZFUQWEUQRJIP-KRWDZBQOSA-N 417.510 1.968 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1628900582 IAFWKMNNNQWVCL-QZTJIDSGSA-N 420.485 1.810 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1628903466 HMFNUWCTLVBPIV-MOPGFXCFSA-N 410.449 1.672 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2ccc(S(N)(=O)=O)cc21 1628946668 KPPOKLYRZZDLKU-HNNXBMFYSA-N 407.492 1.530 30 10 HDEE C#CCSCC(=O)NC[C@H](O)COc1ccc(I)cc1 1631345447 VSULUGXJBGFPEV-LBPRGKRZSA-N 405.257 1.514 30 10 HDEE C#CCSCC(=O)N1CCN(c2ncc(I)cn2)CC1 1631573413 QYXSTSSMEFYPOV-UHFFFAOYSA-N 402.261 1.096 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CN4CCCCC(=O)C4=O)CC3)n[nH]2)cc1 1632252848 FUCWJJGVRNAJFO-UHFFFAOYSA-N 420.473 1.179 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C 1632920571 DWKSBNFSMYMGIK-CVEARBPZSA-N 410.515 1.669 30 10 HDEE CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1636274166 FOXZIHKHOZDQSJ-CUGJKRCDSA-N 419.503 1.558 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc(CC#N)cc1 1636451118 OYQVJBYVYJQCDT-UHFFFAOYSA-N 402.476 1.620 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)Nc2cccc(CC#N)n2)cc1OC 1636654271 FBBUPMFTFNZCGV-UHFFFAOYSA-N 404.448 1.472 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2nc(N)nc(C(=O)OCC)n2)CC1 1636891651 JUEKTUYYLMGCLF-CABCVRRESA-N 417.514 1.597 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1637793397 AAEZTNNWFAKEDU-HNNXBMFYSA-N 410.455 1.148 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)cc1 1638919356 CZDADDOIYYZANX-CQSZACIVSA-N 403.464 1.316 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CSc3ccccc3O2)cc1 1638998157 HHPVTYGARDWYNW-AWEZNQCLSA-N 403.485 1.506 30 10 HDEE COC1(OC)CC2(CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C(C)C)C1 1639356947 ZJIKEVZNFWCQGZ-QGZVFWFLSA-N 421.519 1.361 30 10 HDEE Cc1cn2c(CNC(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)c(C)nc2s1 1641347777 HTSSCVCTKPLUGQ-ZDUSSCGKSA-N 417.516 1.868 30 10 HDEE C=CCCONC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1641570201 ALYOGXAQOAIODO-HNNXBMFYSA-N 409.508 1.694 30 10 HDEE CCN(OC)C(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1643578387 IFFOJXNDGJSNAF-SFHVURJKSA-N 416.478 1.919 30 10 HDEE CCn1cc(C(=O)C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)cn1 1644615403 XAQNAMHMDVTVQX-UHFFFAOYSA-N 403.446 1.696 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1645085360 OHAMNDSPOWRHLY-UBDQQSCGSA-N 409.490 1.920 30 10 HDEE COc1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc(Cl)c1OCC(N)=O 1646250994 OYGAHKCTZNGUHV-UHFFFAOYSA-N 420.878 1.927 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCN(CC2CC2)C1 1647791544 CDLAXGXMZMIHNJ-YJBOKZPZSA-N 404.536 1.463 30 10 HDEE C#CCOCCN(C)C(=O)CNC(=O)c1ccccc1I 1648264245 HTZXKXALWUEASF-UHFFFAOYSA-N 400.216 1.129 30 10 HDEE COC(=O)[C@@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[C@H]1CCOC1 1648879884 OZBUPVUSBZTYGJ-JSGCOSHPSA-N 411.252 1.641 30 10 HDEE CCOC(=O)Cc1cnc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)s1 1654643127 DNAIXYDOBUCLGE-UHFFFAOYSA-N 408.461 1.037 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@H]2C(=O)NCC23CCOCC3)n(C2CCCC2)c1C 1655709106 NWSDIIKDMUMIPB-IBGZPJMESA-N 413.522 1.915 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1660229548 GLMXVRYFQINQPJ-UHFFFAOYSA-N 407.536 1.813 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccnn3C)ccc2C)CC1 1661228044 QYPYNAIFDOJETO-UHFFFAOYSA-N 416.507 1.013 30 10 HDEE C=CCc1cc(CNCCC(=O)N2CCN(c3ncccn3)CC2)cc(OC)c1O 1661256287 JLAWNHQKKNCFGQ-UHFFFAOYSA-N 411.506 1.748 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1scc(Br)c1Br 1664948978 HOBMNMNNPSPQMM-LURJTMIESA-N 403.117 1.936 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCn3nc(C(=O)OC)cc32)c1 1666589725 HUNLEVJMTFQCHJ-HNNXBMFYSA-N 418.475 1.399 30 10 HDEE C=CCN(C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1)[C@H]1CCS(=O)(=O)C1 1670448042 MIPWSSIGNRCUCD-JKSUJKDBSA-N 420.491 1.728 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N(C)C 1672485048 QCXRLNUDYXQNNK-OAHLLOKOSA-N 408.524 1.649 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCCN2C(=O)NCCn1cnc(C#N)n1 1672542654 PRUQTZXYINFAIQ-LIRRHRJNSA-N 403.487 1.629 30 10 HDEE C#CCC1(NC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)CCOCC1 1676254689 UXUJORHSMVSJHN-UHFFFAOYSA-N 400.523 1.689 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2F)C2CC2)CC1 1678231416 VFIZIOBKEUUNPX-QGZVFWFLSA-N 412.462 1.211 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)C2CCCC2)CC1 1683449762 JLMZOQAOETZBBY-IBGZPJMESA-N 404.536 1.713 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1685634397 QMRXSGBDKSHLPJ-WSVVRNJXSA-N 424.523 1.107 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1686634412 SJYSFPBESMMLJH-LJQANCHMSA-N 420.579 1.650 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3cc(-c4ccc(F)cc4F)on3)C[C@H]1CS(=O)(=O)C2 1687485142 XOPNKMUNDMQJBW-VOJFVSQTSA-N 422.413 1.700 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1689847577 CIHFRVIVVITTCK-CQSZACIVSA-N 417.477 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC(F)(F)CO1 1690046335 AZHWNIAQPXZPDF-HUUCEWRRSA-N 412.462 1.067 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)N(C)C2CCCCC2)CC1 1690120235 MRYBSMXTFKQLPA-UHFFFAOYSA-N 409.538 1.820 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2occc2C)CC1 1690142104 IKJWFJVRADVCOW-UHFFFAOYSA-N 405.462 1.651 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1690247104 ZXIABBVGSBOEHG-VYDXJSESSA-N 418.498 1.099 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC 1690313559 XIWTTXFAXQGOHJ-OAHLLOKOSA-N 401.533 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1690722427 IYIAWJKLRNQSFQ-YJBOKZPZSA-N 419.551 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](C)C1 1690730098 VLOHLAXQFIJFKG-MRXNPFEDSA-N 409.556 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCC[C@@H]21 1690731878 SFRZQVUTNKIERS-OWSLCNJRSA-N 424.567 1.982 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1690999031 APSABGZFJHHCSV-CQSZACIVSA-N 400.446 1.955 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)CCO1 1696972824 JPHIKWFOUKOWCC-SFHVURJKSA-N 424.505 1.870 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560879 OEAKDUMOENOWAC-PVPMGCCUSA-N 412.581 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCNC(=O)Cc1cccc(F)c1 1705579573 NHIOHMZQHCUIMN-UHFFFAOYSA-N 416.460 1.911 30 10 HDEE C=C(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2OCO[C@@H]2C1)c1ccccc1 1705741549 SNDASPWXBOJOML-BHYGNILZSA-N 419.507 1.163 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCOCC1 1705829798 CCASRGBIBXFCKX-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)cc2)CC1 1705901051 YTHOZRFNKCGYNP-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1c(F)cccc1Cl 1705901225 FREXFHXHFCKIMQ-HNNXBMFYSA-N 420.876 1.960 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1706585141 ABGWGDXJJPJRPK-ZWKOTPCHSA-N 412.494 1.464 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O)C1[C@H]2CCC[C@H]12 1711026039 CMWZDXFCUVMOEW-HOTGVXAUSA-N 400.508 1.601 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C[C@@H](C)O1 1712289231 YHLOKCIFKPYNKL-DNVCBOLYSA-N 412.494 1.583 30 10 HDEE COCCCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712368038 XFDMDOZSIRUMSF-UHFFFAOYSA-N 406.450 1.697 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(O)CCO[C@@H]2C)c1 1722304758 GCENKWVFLRTUED-ZHRRBRCNSA-N 411.506 1.998 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC(F)(F)C1 1722353436 VWZWITGJIAEULS-KGLIPLIRSA-N 417.482 1.116 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1722411153 ZLHGKMHHUBWSEW-HNNXBMFYSA-N 404.515 1.946 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCCN1CCCO[C@@H](C)C1 1722429298 PMOWRMCUNLZQKU-OALUTQOASA-N 405.543 1.369 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1c(CC)nn(C)c1OC 1722429820 WJXDMOACTCYRKK-GOSISDBHSA-N 416.526 1.959 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2)CC1 1722442099 XJMGLOMEVZKHKK-UHFFFAOYSA-N 406.534 1.789 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722459109 CKYQRUFTICAOJN-KRWDZBQOSA-N 417.579 1.987 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@](F)(C#N)C1 1722705845 ITEVIXVGIHKFNW-LJQANCHMSA-N 402.405 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC2)CC1 1722727049 FOPKSPWCJCNNNG-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@@](F)(C#N)C2)C1 1729596902 NPJFJCYGTXRVPK-RTBURBONSA-N 415.429 1.362 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730571909 DLUPGIGQHUJYST-UDJKBAMHSA-N 423.477 1.339 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCN(C(C)=O)C1 1730818036 HTTTYINHGGEUJR-JZXOWHBKSA-N 406.531 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC[S@](=O)C(C)(C)C 1740646455 ADWDUPIEALCHJE-PBBNMVCDSA-N 420.579 1.940 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1740672699 QVLHXASONGZUBX-FQEVSTJZSA-N 421.549 1.823 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2nccc(C(F)(F)F)n2)CC1 1740703462 UBWHOPJDGHLWKP-UHFFFAOYSA-N 421.427 1.604 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](F)COC)CC1 1740705487 IETNYQFRBWJTBZ-IAGOWNOFSA-N 407.490 1.470 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1 1740751145 YELZLKKCXXSLFD-ZWKOTPCHSA-N 413.526 1.865 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740848178 DJYBWHBPOXYTDC-HUUCEWRRSA-N 401.515 1.388 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740887589 KEZYDDTUMQHALG-PKOBYXMFSA-N 404.559 1.422 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cc(C)cs1 1740951005 PECNOOURLGDQEF-UHFFFAOYSA-N 402.524 1.823 30 10 HDEE CC(C)(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741152012 GLJHYMNQURGECR-IAGOWNOFSA-N 415.542 1.468 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCCC(C)(C)C1 1741657695 CBOZCVUCJXPZLA-HXUWFJFHSA-N 405.522 1.980 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCS1 1743319426 IVYCDKSIHKZZNZ-GOEBONIOSA-N 412.519 1.949 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747796390 WSYXEEGOUCGAQY-KIJUOZEOSA-N 412.450 1.538 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1748315275 AGBZECMHFCWMRQ-KRWDZBQOSA-N 422.489 1.862 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC)c1 1748656288 POMDYKPDUFSSDI-HNNXBMFYSA-N 402.466 1.643 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1748738551 HVJWUYGZQLDKFZ-HNNXBMFYSA-N 407.482 1.153 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCN(C)S(=O)(=O)CC 1748781148 ZLCACHFUESZJTE-UHFFFAOYSA-N 405.524 1.695 30 10 HDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)c1 1748909764 APGXDEGCPKQWAV-UHFFFAOYSA-N 420.477 1.847 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1748927965 ZELRFLZBDJXTFE-LBPRGKRZSA-N 407.400 1.740 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C)C1 1749026061 CBZHJONDEHJGET-OAHLLOKOSA-N 410.507 1.512 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749135746 IEKPUQOXMGFZJK-GGPKGHCWSA-N 417.554 1.943 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749456270 AHPDKUMMLVUMAN-DOTOQJQBSA-N 404.515 1.415 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCOCC1 1749475981 VYEDNDVXJXGMMU-UHFFFAOYSA-N 423.525 1.654 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749721912 WKTRDJWZVGNQHT-INIZCTEOSA-N 411.572 1.745 30 10 HDEE Cc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCOCCS(C)(=O)=O 1751658278 DKHYHAOTPLHJER-OAHLLOKOSA-N 405.524 1.911 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1760123982 DPBXOVIAPRFPGK-WNRNVDISSA-N 421.567 1.792 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1760183401 BERAAKSECQKWJR-GOSISDBHSA-N 402.520 1.998 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCC)c1 1760201299 OTCKIHQMLQPVSW-UHFFFAOYSA-N 401.474 1.549 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1760225429 PMKSSTPRDDBKPO-LBPRGKRZSA-N 419.536 1.401 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CCC1 1760482609 ZVFJCHSPTFLFMX-INIZCTEOSA-N 419.551 1.996 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](c3ccco3)C2)nnc1[C@@]1(OCC)CCOC1 1760528909 QPSSWDDSXHFJMX-HRAATJIYSA-N 415.494 1.819 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1761361114 AVDKURVVKXAZGK-NVXWUHKLSA-N 417.539 1.284 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1761361152 BRMQUUBTCQSNFE-MRXNPFEDSA-N 414.485 1.995 30 10 HDEE CCCN(C)C[C@@H]1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1765946094 ZHHWQDNYFLBQAN-NXDJFEHLSA-N 401.515 1.281 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1)[C@@H]1CCOC1 1768578866 VSRDLKNXGNUWHZ-GOSISDBHSA-N 422.493 1.715 30 10 HDEE CN(Cc1cnccn1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768710205 OPLFBFJBGVCKQX-CYBMUJFWSA-N 413.463 1.120 30 10 HDEE CO[C@H](CCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1)C(F)(F)F 1769601546 GBGCISOOPSLOEE-CQSZACIVSA-N 408.384 1.720 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1771535229 FJMJEQOINRZLML-SFHVURJKSA-N 414.535 1.971 30 10 HDEE CN(C)[C@H]1C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CN(C(=O)OC(C)(C)C)C1 1772791212 PHNQEFHEPPRXDA-KGLIPLIRSA-N 417.462 1.928 30 10 HDEE O=S(=O)(NCC#CCOc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 1849644029 UQBGORUCXCDIHP-UHFFFAOYSA-N 417.439 1.937 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)c1 1849757473 CLDLRYDLSZQSDN-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1851160800 OTBPYVQVLUJVHS-HXUWFJFHSA-N 412.515 1.367 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NC2CCN(c3nccn(C)c3=O)CC2)n1 1851243451 TVGPYRDBAZEISH-UHFFFAOYSA-N 420.395 1.773 30 10 HDEE CN1C(=O)CC[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@H]1c1ccccc1 1851339846 FUNRBQIPFAEYDP-UYAOXDASSA-N 404.474 1.607 30 10 HDEE Cc1ccccc1-n1cnnc1CN1CCN(C(=O)c2ccc(CC#N)cn2)CC1 1851577284 TZBNZZFZLHWKSR-UHFFFAOYSA-N 401.474 1.995 30 10 HDEE C=CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1CCOC)C1CCCCC1 1852047677 GMHDSNXPLITCAB-UHFFFAOYSA-N 402.495 1.646 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CC1 1853038349 RYODUYMOTLJSTH-QGZVFWFLSA-N 424.954 1.845 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1ccc(F)cc1)C(=O)c1cnc(C#N)nc1)CC2 1853426535 QTYOAEITNJRUAY-SFHVURJKSA-N 418.432 1.781 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1 1854987487 ZVEDCGPNDIFVHK-LEWJYISDSA-N 410.518 1.415 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855394735 YXAJNYWUHNXBHV-MSOLQXFVSA-N 416.522 1.998 30 10 HDEE C=C[C@H]1CCCCN1[C@H]1CCCN(C(=O)CCn2nnc3ccccc3c2=O)C1=O 1855411756 JNGKRHYMMMFWDH-LPHOPBHVSA-N 409.490 1.740 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)C1 1855421616 WUJRZNDRRWVOBS-MRXNPFEDSA-N 423.510 1.990 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)Cn2cccc2)CC1 1855846575 RYSPWNNDGVQHPA-UHFFFAOYSA-N 412.471 1.528 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2csc3c2CCOC3)C1=O 1856749590 GXNFYWFRTPFNRB-SJORKVTESA-N 417.531 1.671 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2CCCO2)CC1 1857296970 LMVFKWMTSBDPBO-GOSISDBHSA-N 417.487 1.596 30 10 HDEE CCCCS(=O)(=O)N1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1 1858630359 AMYJIXGTGWHXBG-UHFFFAOYSA-N 410.565 1.794 30 10 HDEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1nc(CC(=O)OCC)cs1 1858699242 NDLRFWDAPDJTRF-UHFFFAOYSA-N 418.431 1.843 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1cc(=O)c2cc(N3CCN(C)CC3)ccc2[nH]1 1866525196 CMBIQJQICJQCGE-CQSZACIVSA-N 411.462 1.109 30 10 HDEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1cccnc1 1874261437 HTQSQBMZZFOXPA-GZIVZEMBSA-N 404.402 1.990 30 10 HDEE CCCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCCO)cccc1OC 1874436363 XKFAQNFUZXPYNQ-RGVLZGJSSA-N 407.496 1.678 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CCC(Oc4ncccc4C#N)CC3)cc21 1891678111 ISOMMMDUDSCQKW-UHFFFAOYSA-N 414.443 1.630 30 10 HDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010402587 SLJUYYIHPPTYKO-QXSJWSMHSA-N 423.363 1.992 30 10 HDEE COC[C@@H](C)NC(=NC[C@H]1CCC2(COC2)O1)N1CCN(c2cccc(F)n2)CC1 2087918046 NSTJCIKZBMGVSD-IAGOWNOFSA-N 421.517 1.271 30 10 HDEE COC[C@@H]1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)CCO1 2116138856 RJIBVYQADCQSJC-ZDUSSCGKSA-N 413.121 1.995 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2118154946 PNCJLIKHLMFIJV-YMXBGEKHSA-N 408.546 1.574 30 10 HDEE CO[C@H]1COC[C@@H]1N(C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2120780859 UPQYQEDGCGVQNR-KBPBESRZSA-N 413.121 1.993 30 10 HDEE CCOC(C)(C)CS(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2144939427 XWZKQAYDUMDVRN-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)[C@H](O)C1 2172948295 NTMQBTVZRGQHJJ-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COCCN2C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243393218 OMWNTQNXDCBURS-UHFFFAOYSA-N 406.288 1.470 30 10 HDEE C[C@H]1COC[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N1C(=O)OC(C)(C)C 2243675131 SBDKEXYDDDWNFD-LSDHHAIUSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825804 JMXYQIWEQXWAND-UONOGXRCSA-N 420.319 1.885 30 10 HDEE CON(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2247828969 QIIHPZGFALDJFM-UHFFFAOYSA-N 422.291 1.332 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)COC1 2247933518 NDOIVUCGPKERFY-UHFFFAOYSA-N 421.303 1.337 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2256058868 JSWFUZQXYIHHEH-HXOBKFHXSA-N 420.322 1.780 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CSC 2267367821 ZGQGGUYZEXVIAQ-NSHDSACASA-N 407.388 1.704 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270535482 LBCDSCSYNDMOAF-MSOLQXFVSA-N 422.503 1.868 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COC(=O)C3)cc2Cl)OC1(C)C 2278753441 BJXSHOQDTHJADK-MRVPVSSYSA-N 407.706 1.295 30 10 HDEE C#CC1CC(NS(=O)(=O)c2ccc(I)cc2)(C(=O)O)C1 2281291451 IPVGIQVOWBNNJN-UHFFFAOYSA-N 405.213 1.436 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)[C@H](CO)C1 2282326324 QRXMMMOBGOPQAZ-NWDGAFQWSA-N 405.322 1.307 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H]3CCO)c2)OC1(C)C 2282332876 HNONIGVVJSRQAD-AWEZNQCLSA-N 401.359 1.973 30 10 HDEE COC(=O)[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282351185 XPJQZDOMLOFZEW-GFCCVEGCSA-N 401.315 1.373 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCNC1 2282508848 BWJIDEXOUZTCEP-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE Cn1ncc(C(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2282572609 NODPKDVYMFDARL-AWEZNQCLSA-N 405.304 1.335 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282829794 KJULFQFCNXBJPJ-INIZCTEOSA-N 421.415 1.748 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282850782 SXVDDINTAYWJAO-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE CN([C@@H]1CCOC[C@@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282863598 UICOPNWLHVGBRK-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3C[C@@H]3CO)c(Cl)c2)OC1(C)C 2282866687 NLGJUSQMHPAYNH-RNCFNFMXSA-N 422.139 1.952 30 10 HDEE CCOc1n[nH]c(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n1 2282867181 VEULGRRUFYAESJ-UHFFFAOYSA-N 400.291 1.365 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284401126 DYVOTXWUMVMLAF-NSHDSACASA-N 401.315 1.451 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCO[C@@H](P(C)(C)=O)C2)OC1(C)C 2289239534 OAQONVHMYWSRFS-LBPRGKRZSA-N 400.246 1.864 30 10 HDEE C#CC[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2338822188 YOJAUEQBUQLHGS-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@H](O)c1nn(C)cc1I 2361388674 QCDVECSPPBRKNM-AAEUAGOBSA-N 405.305 1.935 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2365203364 SHOQZBSRHITXHH-QMTMVMCOSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365244329 BVLTUWMGVKJRHM-GOSISDBHSA-N 403.497 1.540 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367801365 RETXDJHBIQVVKQ-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2367808688 FTDPGDWYHZPHJY-AUUYWEPGSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@H](C)N(C(=O)OC(C)(C)C)C1 2367824882 NPBPRZKSBQOGTD-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367832770 CMHJXWMPPKCRDO-YZVOILCLSA-N 400.541 1.306 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c1O 21318847 MQNQCUANUFRMAT-AWQFTUOYSA-N 414.451 1.278 30 10 HDEE Cc1nn(C(N)=S)c(O)c1[C@H](c1ccc(Br)cc1)[C@@H](C#N)C(N)=O 59461797 OBQAEDYPCPDDMO-ZYHUDNBSSA-N 408.281 1.508 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)[nH]c(=O)c2[C@@H]1/C=C/c1ccccc1 72443884 ONYIBFDOIKZNMM-ZWOPJXCPSA-N 418.457 1.360 30 10 HDEE NC(=O)c1ccc(C#CCNC(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)cc1 96347947 ACFNXTRIDCZOHL-OAHLLOKOSA-N 408.483 1.036 30 10 HDEE N#Cc1nc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)ccc1C(F)(F)F 409732214 MFUJZKBCUXCAJK-LBPRGKRZSA-N 404.414 1.603 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NCc3ccn(C4CCCC4)n3)n2)cc1 432301461 WJGKYEBBBNQBLQ-UHFFFAOYSA-N 418.461 1.765 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)OC 481784324 HYZHWSFFXGSEMI-AEFFLSMTSA-N 406.454 1.467 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1cc(O)nc2ccccc12 482412174 JCGXGHFLVGIAQY-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 485918126 WWAISVVAKMPHJW-SFHVURJKSA-N 405.520 1.754 30 10 HDEE CCNC(=O)COc1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1OC 488917598 LEHOSSOZIYCYRN-UHFFFAOYSA-N 421.450 1.699 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@H]3[C@H]64)CC1 504003372 RURGMWGNIITAQQ-VSGBKTDASA-N 416.437 1.782 30 10 HDEE COCc1nc([C@H]2COCCN2C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)no1 504374797 QFDHZZAWQCCHJI-QGZVFWFLSA-N 408.418 1.796 30 10 HDEE CC1(C#N)CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 507824164 IETYDSJDACDBIX-INIZCTEOSA-N 406.464 1.900 30 10 HDEE C=CCn1c(COCC)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508460077 AAMFYDFJPUUNRV-UHFFFAOYSA-N 416.507 1.383 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C2(c3cc(F)cc(C#N)c3)CC2)C1 509235353 MLMVRAMSTDFKML-MRXNPFEDSA-N 415.465 1.989 30 10 HDEE COC(=O)CCOc1ccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)cc1 516516687 YMMRAOQXBAANBJ-UHFFFAOYSA-N 404.444 1.987 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)ccc1F 516524328 RXSWWYLARPRVKL-MRXNPFEDSA-N 420.418 1.833 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2CC1 516559194 KIAQBMQJRLDJSC-GOSISDBHSA-N 417.535 1.402 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCCO1 534602876 CMCFEDINFPGNNM-KRWDZBQOSA-N 409.511 1.261 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 543110929 LQPMMIBIEVPOJC-KBXCAEBGSA-N 404.833 1.809 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 543380438 HCQDLNLQUUBVNE-GOSISDBHSA-N 405.462 1.375 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)c2ccccc2OC)c1 548201216 JFQZWGQACAYTPQ-QGZVFWFLSA-N 404.444 1.715 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 561683375 FKUBWFWLYNOHEF-GOSISDBHSA-N 402.407 1.333 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 569262058 DVDKXGMBCMTCHW-QWXGXRTQSA-N 414.597 1.884 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@]23CCC(=O)N2c2cc(Cl)ccc2S3)CC1 573478918 WWDRAPIHWJLJRW-GOSISDBHSA-N 404.879 1.853 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(F)cc1 603786838 QLVGAPWZUSCJRI-UHFFFAOYSA-N 406.442 1.215 30 10 HDEE CC(C)CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)Cc1ccc(C#N)cc1 604493121 OROMYFSSCCZRDY-UHFFFAOYSA-N 408.506 1.854 30 10 HDEE N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(F)c1 609241039 KCWNJTLPHHXYQC-UHFFFAOYSA-N 419.434 1.453 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)c(C#N)c1)CC2 610195110 SMZNQSZXDYMMNA-UHFFFAOYSA-N 411.892 1.871 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(NS(C)(=O)=O)CCCCC3)cc2C1=O 626557437 ALZYIELHSZYSNN-UHFFFAOYSA-N 419.503 1.451 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)[C@@H]1CCS(=O)(=O)C1 729331150 KAUMUMIOOGEOFS-MRXNPFEDSA-N 424.469 1.466 30 10 HDEE COc1cccc(N2CCC[C@H](NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)c1 735379353 CFFQHYUVGZSFCB-DNTCVELPSA-N 413.478 1.490 30 10 HDEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1C#N 746868971 OWRQNBJCTPSQTK-UHFFFAOYSA-N 420.516 1.562 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(Cn3cc(Br)cn3)on2)CCN1C1CC1 751954223 IRJPXIHPPRHVHT-CYBMUJFWSA-N 405.256 1.494 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 755367482 RNEKLQBHSJMPOD-JQHSSLGASA-N 419.570 1.411 30 10 HDEE C#CCN(C(=O)c1cc(OCCOC)c2ccccc2n1)[C@H]1CCS(=O)(=O)C1 758633790 PIQZLEDSKDMTEK-HNNXBMFYSA-N 402.472 1.523 30 10 HDEE C[C@@](O)(CN1CCN(c2cccc(C#N)n2)CC1)c1ccc(S(C)(=O)=O)cc1 760910140 AGTQCWMBUDICHX-HXUWFJFHSA-N 400.504 1.386 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)cc1 772926687 URMYICDCZPKBBO-GOEBONIOSA-N 407.492 1.195 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)cc1F 773354037 FWKIMXYQPBZYDP-NRFANRHFSA-N 410.380 1.846 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1)[C@H]1CCS(=O)(=O)C1 774220232 KIUPBBLNKNYGEK-ROUUACIJSA-N 407.511 1.935 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1CCN(Cc2ccc(C(=O)O)cc2)CC1 776677884 HXLMSIMYAZOWLR-UHFFFAOYSA-N 403.435 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](C(=O)O)C1 776689535 FFRGYIKDCSPGCW-CQSZACIVSA-N 413.427 1.392 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N(Cc1ccccc1)C[C@H](O)C(F)(F)F 781370810 HPHBANIUHXQVBP-HEWTWTGNSA-N 411.380 1.855 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)n1 788813920 LRYRLWSZGQHFJI-UHFFFAOYSA-N 408.455 1.316 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)cc1C(F)(F)F 793372949 FCVSTBOEBNNNEU-UHFFFAOYSA-N 413.333 1.877 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)[C@H]3CCCOC3)n(CC)c2=O)cn1 794596696 XIFKDCPOTVQJFR-HNNXBMFYSA-N 400.504 1.035 30 10 HDEE C[C@H](NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 798739960 GKFXWFKTSIWKNG-WDEREUQCSA-N 406.240 1.894 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCO[C@@H](C(F)F)C2)c1C 802582449 IUORFHLYJQOAFP-OAHLLOKOSA-N 403.389 1.792 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NC[C@@H](C)O)C(=O)[C@]12C 1075982080 MKWRJUDSHLVUAW-KFSODFCRSA-N 401.415 1.539 30 10 HDEE CN(C)CCN1CCC(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1136651917 AMFXOGAKVUDDDI-UHFFFAOYSA-N 410.515 1.126 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccn(CCn4cccn4)n3)C2=O)cc1 1139811114 DQKXFABNZDEONR-LJQANCHMSA-N 403.446 1.182 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(=C\c2ccccc2)C(F)(F)F)CC1 1152968126 ZWAPTQCGUMJNOI-FYWRMAATSA-N 401.410 1.244 30 10 HDEE C=CCC1(O)CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1 1154866209 HKZWCPVCGAEZDH-UHFFFAOYSA-N 408.398 1.403 30 10 HDEE N#C[C@]1(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)CCCOC1 1156141205 QRPJCDYQFJHFIH-QGZVFWFLSA-N 417.267 1.765 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(C(=O)OC)nn1 1157660025 JPCUZUBTGXZVGN-NSHDSACASA-N 401.851 1.217 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(c3nnc(C)n3C)CC2)CCCN1C(=O)OC(C)(C)C 1164187460 OHVZRXIODMZVPN-NRFANRHFSA-N 416.526 1.565 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1165497225 CAOUTSXCBHFYKN-OAHLLOKOSA-N 407.517 1.602 30 10 HDEE CN1CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)Cc2cccnc21 1175620908 HPLLZGISBSJPPJ-OAQYLSRUSA-N 422.508 1.882 30 10 HDEE N#C[C@]12CN(C(=O)c3nn(-c4ccc(Cl)cc4)cc3O)C[C@H]1CS(=O)(=O)C2 1179652613 RQKGFFNEMMGIHN-APPDUMDISA-N 406.851 1.242 30 10 HDEE C#CCN(CCCN1CCN(c2ccc(Cl)cc2)CC1)[C@H]1CCS(=O)(=O)C1 1191985342 AFONHWRCAKVZFJ-FQEVSTJZSA-N 409.983 1.974 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)CN2Cc3nnc(C)n3C[C@H]2C(=O)N(C)C)c1C 1198572247 BWTFEMOXYAJWFX-IBGZPJMESA-N 423.521 1.423 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cnc(N2C[C@@H]3CC[C@H](C2)O3)nc1 1208581625 FBXFDXZTTUEPMC-IYBDPMFKSA-N 401.467 1.653 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1228508136 QLCTWIQMDGUNBI-MOPGFXCFSA-N 407.536 1.999 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccco1 1286349389 IMNNHMGHFXKDOL-WBVHZDCISA-N 421.523 1.815 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cn(CCCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1286385148 URZNCSSDDSGVHY-IBGZPJMESA-N 418.567 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCN(C)C 1286427633 LAXILBIEZZJUOI-OAQYLSRUSA-N 423.517 1.832 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286490277 PKVCDRYUVWRAJV-FXAWDEMLSA-N 422.533 1.857 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1286606726 YZVJZKRUHBERDS-KRWDZBQOSA-N 413.526 1.939 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)OC)C1 1286615080 FOYXFPUEKVHYME-BZSNNMDCSA-N 422.526 1.984 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2cnnn2C)C1 1286812648 RKWRMOXQVDSSAJ-IBGZPJMESA-N 409.494 1.858 30 10 HDEE C=C(C)Cn1c(SCC(=O)NC2(C(=O)NC)CCOCC2)nnc1-c1ccco1 1288879940 WHDOYAXDCYGTKB-UHFFFAOYSA-N 419.507 1.618 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1ccc(C(N)=O)nc1 1290887752 HLRKFWGPIILRNK-LJQANCHMSA-N 403.446 1.578 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1296066335 BXONMTAURNIRHR-IRXDYDNUSA-N 406.556 1.404 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccc(OC)cc3C2)cc1 1298281290 VQXIVXZPOYGATN-UHFFFAOYSA-N 400.456 1.642 30 10 HDEE CN(CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1298670340 BFAPBJUJHJFIAV-HOTGVXAUSA-N 420.514 1.768 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2cc(F)c(F)cc21 1300209972 BFGFSUBPHFUWNU-UHFFFAOYSA-N 407.398 1.819 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCS(=O)(=O)CC1 1300393514 GGJQMXHGGHOQAZ-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@H](O)C1 1300512449 QARQRCDQEWGBAG-DXIQSLLYSA-N 400.523 1.943 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1300733222 IOEUYVQWVCBYLY-CHWSQXEVSA-N 403.599 1.196 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@@H](CNC(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1300950441 IGESOEYSQOWNCJ-YWZLYKJASA-N 410.515 1.489 30 10 HDEE COC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1)OC 1301011127 ASZLWSZVQHOQDA-XIKOKIGWSA-N 406.418 1.109 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301196507 CQVVXRGUOGFTAC-LSDHHAIUSA-N 424.571 1.350 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1301457950 BGFUZUMSRNKAST-RTBURBONSA-N 405.478 1.369 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H](C)CC(N)=O 1301490648 XGOJWIBTYLBVTJ-LLVKDONJSA-N 408.865 1.740 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@H]2CCOC2)c1 1302989094 HVCWDMIULVUKFI-RBUKOAKNSA-N 408.462 1.741 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 1312487186 WJLQUFSGOKGBKB-GVDBMIGSSA-N 410.434 1.575 30 10 HDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1313499016 FLJMTPAWKDNNII-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 1315814643 WVJKWYWEJHLSKF-MRXNPFEDSA-N 421.498 1.815 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 1351734704 AHWTYEGWUPSUJT-UHFFFAOYSA-N 403.826 1.724 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 1356276175 INGVIWCMMHBRBD-HSBHDXMMSA-N 401.448 1.095 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1358870651 QNJYCGUNVBFONP-OAHLLOKOSA-N 404.478 1.893 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1358935842 VDBQCTCFQTZZPX-LJQANCHMSA-N 416.570 1.751 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCC(=O)NC 1358984469 WUMLVTMHVRAHNR-UHFFFAOYSA-N 406.490 1.746 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1359265946 PKHDCTMYDCNCBH-UHFFFAOYSA-N 407.540 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359332617 BWRAAVOAAKTSFA-CQSZACIVSA-N 420.601 1.337 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1CN1CC[C@H](O)C1 1359515571 AAODTHFCXZEWNC-VQTJNVASSA-N 424.549 1.919 30 10 HDEE C#C[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCOCC1 1453747422 SNAPKTGGQRHEKS-IAGOWNOFSA-N 407.511 1.437 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1454216544 AFPQLXOMCGVZQY-LESCRADOSA-N 418.469 1.620 30 10 HDEE C[C@H](CC(=O)Nc1cccc2ncnc(O)c12)/N=C1/NS(=O)(=O)c2ccccc21 1455606754 HCXNUFJPQCYTHW-LLVKDONJSA-N 411.443 1.791 30 10 HDEE C#CCN(C(=O)c1cc2ccc(Br)cc2c(=O)o1)[C@@H]1CCS(=O)(=O)C1 1456088076 SYRWEERDVMSOKZ-CYBMUJFWSA-N 424.272 1.818 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N(C)Cc3ccccc3)c2)C1 1456811983 XAJOSPUNNJTXQW-UHFFFAOYSA-N 414.483 1.336 30 10 HDEE CC(C)N(C)C(=O)c1ccccc1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1461205192 CWONGRBHZKXTLH-UHFFFAOYSA-N 414.487 1.844 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCCc4nc(C#N)ccc43)C2=O)cc1 1461277313 LYJBRJOIECIQAX-JOCHJYFZSA-N 419.441 1.708 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(-c3ccccc3Cl)n2)CC1 1471450958 LZLYPHNYHRDKGS-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)Cc2ccc(F)cc2)s1 1471900745 RTHYFSSXLDRDSY-OAHLLOKOSA-N 412.508 1.614 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1471912294 WKYVYLROMAJWAG-HNNXBMFYSA-N 403.483 1.446 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1 1471929673 ONONIKHZNBQIET-NVALYEJGSA-N 406.504 1.301 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)C1 1493804329 DWOQEJGZHPUIPR-BRWVUGGUSA-N 408.572 1.650 30 10 HDEE Cn1cc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cn1 1503657181 DMJULWYDRBXVFH-KRWDZBQOSA-N 417.539 1.286 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1507628248 VZKBTDJJNHNAGO-VQIMIIECSA-N 410.540 1.357 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(=O)NCC)CCC2)CC1 1507731230 DFRMKYFBXZZLDH-SFHVURJKSA-N 414.554 1.581 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCC(=O)N[C@H](C)CC 1507769979 FFKYNDPCELPUDV-IIBYNOLFSA-N 400.527 1.697 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)COCCO1 1509186925 SOXUPMPVAUQEOL-OAQYLSRUSA-N 412.494 1.817 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510052481 NBVQGCWOHCUXFZ-GJZGRUSLSA-N 411.510 1.657 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1516734467 PMSCNOWRSNMQBU-LJQANCHMSA-N 407.478 1.955 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(O)cc1 1519329471 WAYMVZZGOFWYPV-YJBOKZPZSA-N 401.467 1.679 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C[C@H]1OC 1519501954 MQPNQYKPEQZJPM-KDURUIRLSA-N 414.510 1.245 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(-c2ccc([N+](=O)[O-])cc2)n1 1536179215 DMTIXSILJNFNQE-UGSOOPFHSA-N 415.431 1.006 30 10 HDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@@H]2c2ccc(Br)cc2)nn1 1538152811 LPSNUVNVCBRYKK-HNNXBMFYSA-N 404.268 1.930 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539045056 PEBVXYBUKDGYPN-MRXNPFEDSA-N 422.493 1.285 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1539519331 FBZXOKHORQKSFO-SFHVURJKSA-N 410.547 1.831 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1540857859 SWANVRNYDAXBLG-QZTJIDSGSA-N 420.558 1.369 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(=O)(=O)NC)C1 1540893744 JMLFVWHHKMAIAX-KRWDZBQOSA-N 423.514 1.339 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCO[C@H](COC)C1 1540904101 KQWMVWUVYYTAEM-HNNXBMFYSA-N 400.545 1.319 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cc2S1(=O)=O 1543288556 NJVTYLIQXGMASQ-ZDUSSCGKSA-N 424.280 1.274 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CCN2C1=O 1547606365 UFHQFYVNUNUJND-OAHLLOKOSA-N 411.466 1.561 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCOC[C@H]1OC 1555728214 IRPUUAKNBXIFEW-SFFUCWETSA-N 407.515 1.792 30 10 HDEE N#Cc1cn(CCC(=O)NC2(Cc3ccc(F)cc3)CCOCC2)c(=O)nc1O 1556751575 FLXSEFIADZLJOU-UHFFFAOYSA-N 400.410 1.258 30 10 HDEE C#CC1(O)CCN(C(=O)c2sccc2S(=O)(=O)NCc2cccs2)CC1 1557604684 YMRLSEYJBUPSSH-UHFFFAOYSA-N 410.542 1.888 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H](C(F)(F)F)O[C@@H](C)C2)c1 1558196552 KGPUDBQGOBQVPA-WFASDCNBSA-N 404.410 1.780 30 10 HDEE CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@@](C)(C#N)C1 1558602006 BSSCQWULMURSKW-YJBOKZPZSA-N 406.464 1.587 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CCO[C@](C)(C#N)C2)cc1 1558602126 GAEIZOHOHOHWRT-YVWKXTFCSA-N 421.519 1.075 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N1CC[C@H](Oc2cncc(Br)c2)C1 1561802939 BFDWLRMONWDNQK-YPMHNXCESA-N 403.302 1.776 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@H]3CCC[C@@]34NC(=O)NC4=O)n[nH]2)c1C 1566015998 YXHYYHHFHPFTGU-ZUOKHONESA-N 411.466 1.184 30 10 HDEE CN1CCC[C@@](O)(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1583854459 SPFRSFRUWWFMMT-JOCHJYFZSA-N 408.506 1.444 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)c3ccc(S(=O)(=O)CC(N)=O)cc3)CC2)nc1 1585237282 PWRCUVNOZBRMCO-UHFFFAOYSA-N 412.471 1.232 30 10 HDEE C#CC[C@H](COC)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 1586385674 HKXVVYNTXNYHON-GCJKJVERSA-N 419.481 1.654 30 10 HDEE C[C@@]1(c2ccc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)cc2)NC(=O)NC1=O 1587187465 WLDVSHKLXBFQMN-VXKWHMMOSA-N 403.442 1.834 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1587393003 YYCXCUYFJAMQLR-HNNXBMFYSA-N 405.499 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1587683377 IVAKLLGWWXDKII-ZOBUZTSGSA-N 401.515 1.855 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(C(=O)C2CC2)CC1 1587804015 RNOYJHJRYXAJGI-UHFFFAOYSA-N 421.505 1.788 30 10 HDEE Cc1nc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[nH]c1C 1587805210 OEJFVAJXFIMIIV-UHFFFAOYSA-N 403.508 1.942 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1CC 1587904795 OUCGHAYYBIRPHB-UHFFFAOYSA-N 406.494 1.901 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cccc(OC)c2)CC1 1588750787 FTWLFZYQKWYMJD-SFHVURJKSA-N 413.522 1.814 30 10 HDEE C#CCC1(O)CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1588765640 KTTSTODEYALULR-UHFFFAOYSA-N 420.531 1.667 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1588890927 IRSINXNAZYYUAC-IAGOWNOFSA-N 402.543 1.052 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nccs1 1588985969 XULVQIOFOGKIIU-GFCCVEGCSA-N 414.582 1.348 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1594943308 NZKMGGGQPPSVHY-INIZCTEOSA-N 423.521 1.535 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cc(F)cc(F)c2)CC1 1595405316 JKYQCTULZWJUJM-AWEZNQCLSA-N 423.489 1.971 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1597458822 URQZYRLZJSQAIU-UHFFFAOYSA-N 416.503 1.232 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3cccc(CC#N)n3)cc2S1(=O)=O 1598032370 LDPRFBWTYBACAR-UHFFFAOYSA-N 400.416 1.191 30 10 HDEE Cc1cc(C#N)ccc1Oc1ccc(C(=O)NCc2nnc3n2CCNC3=O)cc1 1598401622 NHPKELPLYDQZOU-UHFFFAOYSA-N 402.414 1.924 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C 1603493216 RDSVHUZBOCDJJI-XKQJLSEDSA-N 421.519 1.852 30 10 HDEE Cc1nn(-c2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)c(C)c1Cl 1607490270 VPCZOIVMRQWDTO-UHFFFAOYSA-N 424.848 1.974 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)NCCN/C(O)=C2/N=CC=CC2=O)o1 1616348042 VAMJEPZONJBJNI-DUTICMAYSA-N 401.419 1.891 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1618513812 BIAZPBGGICAORP-INIZCTEOSA-N 409.494 1.509 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1618814326 SXNSFMJFTUMWRT-KRWDZBQOSA-N 410.559 1.716 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1619554011 LWBJEEJRXOVWCR-UHFFFAOYSA-N 423.477 1.528 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1619833023 GVDIMYFXEGYHSP-NRFANRHFSA-N 412.494 1.680 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=CCC1 1620166605 BIWZSJHPMLFMTL-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)CCO1 1620355086 GSXZWIOVRRMBAJ-RBSFLKMASA-N 411.553 1.195 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC 1622450201 LUOTZJZETILFKC-MRXNPFEDSA-N 418.537 1.503 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1nnn(-c2ccccc2Br)c1C 1624565548 SBXNJLCWCNYBOW-UHFFFAOYSA-N 406.240 1.867 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 1624730028 LCHSQALQSDTYDO-KBPBESRZSA-N 409.508 1.630 30 10 HDEE CN1CCO[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)C1=O 1625039289 JKZPLESDEILQFB-RRMQHPPMSA-N 422.507 1.075 30 10 HDEE CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1625694103 YEHGZHGFJDSKMG-IAFNSTAXSA-N 406.483 1.665 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)c1 1628279129 YXHIHNSIFGOFTQ-QFIPXVFZSA-N 411.527 1.993 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2ccccc2O)CC1 1631151939 XZWHLULJHMOVOH-KRWDZBQOSA-N 415.490 1.983 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)NCC#CCN(C)C 1631852816 KVEROPJVEIEWNH-UHFFFAOYSA-N 401.204 1.803 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1633140587 FVAGSUHHIDMPJV-UHFFFAOYSA-N 405.499 1.573 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CCOCC1 1633762755 GONOLNKQRPYVMQ-ACRUOGEOSA-N 410.518 1.313 30 10 HDEE CN(C)[C@H](CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C(F)(F)F 1634108972 UAZNWAITTWJTKO-FRRDWIJNSA-N 407.437 1.927 30 10 HDEE Cc1cc(C(F)(F)F)ccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1634295576 KIPOXPCFVHGNQF-UHFFFAOYSA-N 407.352 1.914 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3c4ccccc4CC[C@H]3O)C2=O)cc1 1639313491 LZVPLHULEMVBDD-SBHAEUEKSA-N 418.453 1.928 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(c2ncco2)CC1 1639795652 GQSIRJWIVIPYPO-UHFFFAOYSA-N 402.476 1.900 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Cl)c(F)cc2Br)c(=O)nc1O 1641033633 FNWBZWGQOIEHBK-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE N#Cc1ccccc1OCc1cccc(C(=O)N2CCS(=O)(=O)C[C@H]2CCO)c1 1646012470 ZZCCSBCKPYOJCG-LJQANCHMSA-N 414.483 1.759 30 10 HDEE N#Cc1cn(C2CN(C(=O)C3(c4cccc(OC(F)(F)F)c4)CC3)C2)c(=O)nc1O 1648028649 IZNIJMMBCLFLQE-UHFFFAOYSA-N 420.347 1.834 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](CC)c3ccc(F)cc3)CC2)C1=O 1651379138 YKMSIDCJOYKJHI-KRWDZBQOSA-N 416.453 1.398 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1652736337 HEVCRNXLKHCOCY-NRFANRHFSA-N 419.526 1.834 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ncc(Br)cn2)c1 1653301199 SIDGKXVWFMXPRC-UHFFFAOYSA-N 408.277 1.966 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)CC1 1655061768 XNOZJQSGIUYHJW-NRFANRHFSA-N 411.550 1.597 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1657468248 HUKZPBXRJUTSLH-UHFFFAOYSA-N 416.286 1.810 30 10 HDEE CCOCCOC1CCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1672352555 ICPQPMRRDNCGBV-FQEVSTJZSA-N 414.506 1.886 30 10 HDEE COCCOC1(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCOCC1 1682524384 JTZOWTUVEJUAHQ-UHFFFAOYSA-N 420.485 1.741 30 10 HDEE COC(=O)[C@@H]1CC[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1685213828 KORRHSMTYGPQEU-CABCVRRESA-N 410.478 1.900 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCC(CS(C)(=O)=O)CC2)n1 1686588776 YEDXQFLGPTXUKN-UHFFFAOYSA-N 410.540 1.278 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1689920568 BRJUECFDRIPZOY-UHFFFAOYSA-N 403.508 1.449 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1689998868 ZJVMDVYPYWQSIH-FCEWJHQRSA-N 408.524 1.325 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@H](C(C)C)N1CCOCC1 1690043141 QGWPVGCNRVHSPD-HXUWFJFHSA-N 407.522 1.555 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2CCN(C(C)=O)CC2)CC1 1690124384 KGYMNKCXJZKPCO-FQEVSTJZSA-N 414.554 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](C)CN2CCCC2)CC1 1690152288 FVIWCZSSMISXGL-SFHVURJKSA-N 416.570 1.512 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690327289 MXGPEBMECFULQC-GOSISDBHSA-N 410.906 1.980 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690673703 AYQPPQZKMBXCHB-HRAATJIYSA-N 403.527 1.697 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)C(=O)C1 1690752713 OYYVGQIOIOHNDM-YJBOKZPZSA-N 421.567 1.732 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1692855148 VMCOMFQNNOTRDK-YJCBXQLOSA-N 420.477 1.930 30 10 HDEE CCN1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)CC1 1695867395 ANVPDQQBKVZCTM-DLBZAZTESA-N 404.563 1.181 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2nncn2CC)CCOC1 1696046458 HCMZNUWCFVWERL-HXUWFJFHSA-N 414.514 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1705500224 JEJMXVDLGOIRKB-DLBZAZTESA-N 402.520 1.792 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1705523082 JYLICCBQOVGTBD-IAGOWNOFSA-N 400.527 1.857 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1705565754 VXRXRHWLNZNIOC-KRWDZBQOSA-N 415.519 1.272 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccc(C)cc1 1705588549 BFORNRJXYJRVSO-UHFFFAOYSA-N 420.517 1.618 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@H](C)C[C@@H](C)C2)CC1 1705637655 GRVDQMJOXNATDO-WOJBJXKFSA-N 424.597 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nccs2)CC1 1705649067 JBAQMKWYZZIRKT-UHFFFAOYSA-N 407.503 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@H]2CCOC2)CC1 1705649219 PMAHYPLLOYPZGX-KRWDZBQOSA-N 408.506 1.733 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1705754808 GIPMRKKKDQYRLD-HUUCEWRRSA-N 414.901 1.911 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C(N)=O)nc2)CC1 1705761250 FWEJHTNNILVNGB-UHFFFAOYSA-N 411.510 1.895 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1705831433 RJINLQACYZXQIC-UHFFFAOYSA-N 404.559 1.568 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1705875849 HVVYFGLILIPEKE-MRXNPFEDSA-N 409.556 1.980 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1705891778 WDJLZFZGPKJOCI-UHFFFAOYSA-N 406.494 1.884 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2ccccc2OC)CC1 1705901224 FOAZIJMOGCAAMM-UHFFFAOYSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)OC(C)(C)C1 1705906188 WGRLZKMVADTWNR-ZDUSSCGKSA-N 404.540 1.940 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN2CCCC[C@H]2C1 1705906202 WVZPNTADOZFFBC-KRWDZBQOSA-N 415.567 1.611 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1705908007 FHXSWICOCDPSPL-UHFFFAOYSA-N 419.555 1.517 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1706075573 PQDBGXNVHKJMSS-OIISXLGYSA-N 414.485 1.861 30 10 HDEE COc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1711845833 KUPFMZPZPURIDD-WMZOPIPTSA-N 413.478 1.966 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](CC(C)C)N(C)C 1712647807 KTGDYSIGXUXYPP-MANSERQUSA-N 420.558 1.707 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1722332418 KRNQNGLQDMRCQL-JKSUJKDBSA-N 407.540 1.089 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC 1722355599 ZHHVSJKUKODUMW-HOTGVXAUSA-N 407.515 1.938 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cc(C)nn1C 1722384334 PSAHNVCGGUOOFC-FQEVSTJZSA-N 402.458 1.954 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)C(C)=O)CC1 1722462934 ULLKYMMMJGXDCQ-UHFFFAOYSA-N 418.567 1.214 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1C(C)(C)C 1722503108 VJZDLBJVMBFHSH-SQNIBIBYSA-N 405.543 1.898 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(F)(F)C1 1722618988 XXUIEXMYIKVQLX-CYBMUJFWSA-N 405.471 1.423 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(C)=O)CC1)C1CC1 1722643939 HPJCDMJLQZVWHU-UHFFFAOYSA-N 400.527 1.927 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722685723 KTWVNYPGLUTDRQ-NJSLBKSFSA-N 423.539 1.470 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1722701569 VCGPXKMSVXFLMZ-LJQANCHMSA-N 406.490 1.982 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCC2(O)CCC2)CCOC1 1723694821 WVKGAKMHTCVRPV-OXJNMPFZSA-N 405.499 1.353 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1 1729311439 DUDMWLSHNCIRSM-UHFFFAOYSA-N 408.466 1.187 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1730536509 BSSNZNLGYNGTLF-NRFANRHFSA-N 421.461 1.701 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1csc(C)n1 1730762139 AOWHLABEASLZLS-OAHLLOKOSA-N 403.512 1.603 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1740588717 DLHGTSFQNMOCEW-SFHVURJKSA-N 406.490 1.605 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1ccc2c(c1)C(=O)NCC2 1740642848 XFRAQHUNXUDPJC-UHFFFAOYSA-N 410.481 1.671 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)CC 1740653857 ZUWQLANZNGBDKJ-UHFFFAOYSA-N 417.473 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CC(=O)N(CCOC)C1 1740655793 JPUFIGCVOHUJOQ-MOPGFXCFSA-N 413.522 1.478 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1740666734 AUHORXAPFIAOJI-UHFFFAOYSA-N 412.519 1.722 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(C)(C)OC)CC1 1740699187 XEEWYMHPAINHIM-UHFFFAOYSA-N 416.551 1.450 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOCC)CC1 1740955492 WBOHRWHSUWVQPL-UHFFFAOYSA-N 423.521 1.277 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1740960597 VSKKBBUORDCANJ-RBUKOAKNSA-N 411.506 1.880 30 10 HDEE Cc1cccc(C(=O)NCCn2c(-c3cnccn3)nnc2N2CC[C@@](F)(C#N)C2)c1 1742303292 GJKYKXRULKFDBU-OAQYLSRUSA-N 420.452 1.916 30 10 HDEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1748043759 DCIQNVMGMBOACM-UHFFFAOYSA-N 405.466 1.085 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1748640443 VDOHCXJTUFNDET-HOTGVXAUSA-N 411.572 1.943 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1748717733 HHZVVVZWXQHJLE-GOSISDBHSA-N 405.568 1.516 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1-c1ccccc1 1748772254 RPSACGSAOZXXML-OAQYLSRUSA-N 407.478 1.629 30 10 HDEE C#CCN(c1nnc(C)n1CCc1cccc(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1748805499 SOILFXQJXCHTRZ-GOSISDBHSA-N 402.520 1.855 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1748821318 PBPVGJOIMYVUHB-GOSISDBHSA-N 403.552 1.119 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1748926564 FTRSWCXJQYHSML-UXHICEINSA-N 422.533 1.304 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCS(C)(=O)=O 1748945029 KVHDSZGARHGUQE-INIZCTEOSA-N 406.483 1.606 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)C(C)C)CC1 1748984512 UDMJDVIPBSXEOJ-UHFFFAOYSA-N 410.522 1.481 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749660422 OWSONXHNGKRMLI-OAHLLOKOSA-N 420.395 1.886 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749730484 FZMDWHBPDRWEFL-HUUCEWRRSA-N 409.512 1.114 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CCSCCCO)c1 1750382639 WZBWIRGXNPMJQO-UHFFFAOYSA-N 405.549 1.501 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1/N=CC=CC1=O 1750468835 RHUXVDNNPGZVSU-PSEQUABUSA-N 414.510 1.761 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760155429 XXMWWVRHIHEHLV-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1760179351 QRGXUOOSWXNJGE-YOEHRIQHSA-N 402.499 1.424 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760186323 MERUFJIRSNMHAH-CABCVRRESA-N 400.520 1.478 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1760188282 OHJKFXNOFNHMAS-QZTJIDSGSA-N 424.567 1.616 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760189190 SFNFMYMQFVKKIV-MRXNPFEDSA-N 419.551 1.218 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1nccs1 1760206105 QYPHPWUHVRCQRA-HUUCEWRRSA-N 403.533 1.513 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@@H](C)C1 1760217138 QFPYGYIWTCNPIV-IBGZPJMESA-N 409.538 1.642 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCNC(=O)[C@@H]1CC 1760326052 VHFJNBSTSWXVCW-BJLQDIEVSA-N 410.522 1.960 30 10 HDEE C=C(C)Cn1c(N(CCS(C)(=O)=O)C2CC2)nnc1[C@]1(OC(C)C)CCOC1 1760349160 BPJUQDWAEXFWJQ-IBGZPJMESA-N 412.556 1.908 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1760442043 DDXADGLHZMKOSG-GOSISDBHSA-N 402.543 1.525 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1761551847 QMBFYDAOEJBUEK-SJORKVTESA-N 405.462 1.460 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCCN1CCC[C@H]1CO 1762609414 RVTLZARCRCFOCM-FQEVSTJZSA-N 424.553 1.417 30 10 HDEE Cn1nncc1Cn1c(C(=O)Nc2ccccn2)nnc1N(CCC#N)CC1CC1 1767533925 ABQMKUPDRIUWFN-UHFFFAOYSA-N 406.454 1.232 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1769224093 DPAYGHMZUDUEMJ-NYHFZMIOSA-N 424.505 1.319 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1770349383 ZFQSZIJOKLECHK-DLBZAZTESA-N 410.478 1.597 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770752050 PGVZTNFRWBSOLM-OALUTQOASA-N 412.494 1.578 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1=O 1771136216 MMHJKCDPBCHYSW-SFHVURJKSA-N 424.505 1.538 30 10 HDEE CC(=O)N1CCN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(C#N)cc2)CC1 1849426115 UIHKCCKDCADDGB-VQTJNVASSA-N 414.531 1.642 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2)cc1 1851141115 BWBAJLJDFVSXDF-IBGZPJMESA-N 411.531 1.847 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cccc(I)c3)CC2)n1 1851376759 MEMRNCUOMYQAKZ-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)Nc1c(C#N)cnn1-c1cccc(Cl)n1)CC2 1852615973 QIIKRCBYJODVHB-NSHDSACASA-N 409.837 1.630 30 10 HDEE NC(=NOCCC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1)c1ccncc1 1853547394 IDJNAPDJDMLALZ-QGZVFWFLSA-N 411.510 1.833 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1noc(C2CCOCC2)n1 1853739613 RNZCGXOSEVXPDA-AWEZNQCLSA-N 409.446 1.708 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc(OC)c(F)c2)C1=O)[C@@H]1CCN(C)C1=O 1853829414 VULGSGVIGJDZLF-DLBZAZTESA-N 403.454 1.684 30 10 HDEE COCCn1cc(C(=O)N2C[C@H](C3CCN([C@@H](C)CCC#N)CC3)CC2=O)cn1 1853902173 YWDVXCLNVKMHGM-FUHWJXTLSA-N 401.511 1.922 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCN(c3nc4ccc(F)cc4s3)CC2)C1=O 1853958613 XBJRXMUCQFUBFF-HNNXBMFYSA-N 401.467 1.989 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cccnc2OCC)C1=O 1854131224 FQRGHODFEZIILC-MSOLQXFVSA-N 414.506 1.720 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1F 1854402035 WZOKMGJIIOCWPB-UHFFFAOYSA-N 423.466 1.675 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@@H]2C)c1 1854676530 RGZIBKNHMWYKNE-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CC(Cn4ccnc4C)C3)C2=O)CC1=O 1854827772 TXEAAOJXEVPHBM-OALUTQOASA-N 413.522 1.066 30 10 HDEE COc1ccccc1OCC(=O)N1CCN([C@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1855008449 WHIADQOHDIBWFX-ROUUACIJSA-N 414.506 1.511 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CCCS(=O)(=O)c3ccccc3)C2)CC1 1855868338 ZCKSTIOJDYFZCV-GOSISDBHSA-N 417.531 1.851 30 10 HDEE C=CCN1C[C@H](C)C(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc21 1856060909 KHURYFIEOORVGG-HNNXBMFYSA-N 405.520 1.860 30 10 HDEE COc1ccc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cn1 1856390993 NYJIYQYUSGBJFI-AWEZNQCLSA-N 407.430 1.109 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(Cc4ccncc4)CC3)CC2=O)cc1 1856607614 GYUCAEXGVKWFJE-HXUWFJFHSA-N 403.486 1.760 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(Cc3ncon3)c3ccccc32)CC1=O 1856652379 VVVKNWBMGQILBE-CABCVRRESA-N 409.446 1.620 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)C(=O)C2)C1 1856871802 DSSQXWHWSBYKMR-KRWDZBQOSA-N 412.490 1.224 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)c(C)c3)C2)CC1=O 1856901161 AJXGDRLDPJBADU-UONOGXRCSA-N 412.439 1.016 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)C(C)(C)C1=O 1857167124 JZOOJSOZVFQETJ-UHFFFAOYSA-N 408.458 1.529 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cncnc1 1857484948 YUWSXHRDOUKEIZ-UHFFFAOYSA-N 400.460 1.793 30 10 HDEE C=CCN=c1nc(N2CCC(O)CC2)[nH]c(=Nc2cc(OC)c(OC)c(OC)c2)[nH]1 1871564031 SIVNERDWTVTLHL-UHFFFAOYSA-N 416.482 1.044 30 10 HDEE CC(C)c1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CC(Oc2cccnc2C#N)C1 1891136706 QQPPVRSOQRZEOH-ZDUSSCGKSA-N 411.487 1.960 30 10 HDEE C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985096779 WPKFATSGCIPCHU-ABHRYQDASA-N 410.320 1.811 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1985214178 GWAMQKJJVHUIDL-LBPRGKRZSA-N 413.334 1.840 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987168832 KIZJQHZOWYSIAA-HUUCEWRRSA-N 423.510 1.486 30 10 HDEE C[C@H](NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)c1cc(C#CCO)cs1 2057537969 WWIFRZUAIAMLIX-ZDUSSCGKSA-N 418.496 1.369 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)c2cccnc2C#N)CC1 2118164178 WFLUMLDNLVQZCX-UHFFFAOYSA-N 400.482 1.361 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@](O)(C(F)(F)F)C1)C(F)(F)F 2180831911 ZZOGUKPLSYQQBW-BDAKNGLRSA-N 404.229 1.902 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)C1CC(=O)C1 2186602161 NCARMEDBHVNDRH-SNVBAGLBSA-N 400.331 1.496 30 10 HDEE C[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2243388338 KEXUPWCPKZVBEC-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C1CC1 2243664842 OEFBWPGYPAYWOD-UHFFFAOYSA-N 424.332 1.597 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247830352 YPLARGBPMAZIJS-HXUWFJFHSA-N 420.319 1.838 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247916697 CKCBQYIBBHGBCK-UHFFFAOYSA-N 412.299 1.108 30 10 HDEE Cc1c(C(=O)N(CC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2248575159 YGKPPEKPHVFDAN-UHFFFAOYSA-N 413.283 1.755 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258168127 BNQDKKGRYZVYEX-ZBFHGGJFSA-N 409.464 1.321 30 10 HDEE C[C@@H](N)C[S@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500953 PZNRDUADKVNVHJ-NDHGSNPTSA-N 422.403 1.322 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282615470 YWHZAOQWULBBKU-LLVKDONJSA-N 402.347 1.384 30 10 HDEE CCCNC(=O)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282847572 AUQUEGVYZRKGKL-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@@]1(Cl)CC1(F)F 2282853664 HAZSJMIJEOXWDU-ZDUSSCGKSA-N 411.667 1.014 30 10 HDEE COC(=O)C(C)(C)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855984 LXLHJPDJIIXISY-UHFFFAOYSA-N 403.331 1.525 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@@H](CN)C2)OC1(C)C 2282856237 PJWOHOYBVAHULB-OLZOCXBDSA-N 400.375 1.843 30 10 HDEE CC1(C)[C@H](O)CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282858976 GHWVHQICRUKVIF-VXGBXAGGSA-N 401.359 1.875 30 10 HDEE C[C@@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282862035 XWEVKZOAWQVMGV-CANCMXDXSA-N 401.359 1.373 30 10 HDEE CC(C)[C@@H](CO)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870184 OBDTTXDGLNGXSR-CQSZACIVSA-N 403.375 1.731 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CC(=O)O)CC3CC3)s2)OC1(C)C 2284400972 ZLHYQMBTTGZUKF-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(C(=O)O)C1 2284406780 CGOIILQQPJYMOQ-UHFFFAOYSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2cc(C(=O)N(CC(=O)O)CC(=O)O)sc2Cl)OC1(C)C 2284421234 MKCGZJCYXNPEHW-UHFFFAOYSA-N 403.649 1.312 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@]3(C(=O)O)CCOC3)sc2Cl)OC1(C)C 2284432372 YLTABTBBJAEFMD-MRXNPFEDSA-N 401.677 1.674 30 10 HDEE C[C@@H](O)CN(CCN)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2285399163 ZIJWDEFEQWIXKZ-SNVBAGLBSA-N 424.781 1.031 30 10 HDEE Cn1c2c(c(=O)n(C)c1=O)C(=O)C(=CNCc1ccccc1)C(=O)N2c1ccccc1 2297562925 FCFNXQMLOKIMBX-UHFFFAOYSA-N 416.437 1.619 30 10 HDEE C#CCN(CC(=O)O)S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316824291 KTGZJAXEDWEAQU-UHFFFAOYSA-N 406.460 1.193 30 10 HDEE CC1(C)COC[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2361152639 DEZYLXALOBFIOW-GFCCVEGCSA-N 401.359 1.998 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2365209410 VPESXWVGXSBYIL-HOTGVXAUSA-N 403.589 1.636 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367803419 KSVHBKAMKXRUPW-HOTGVXAUSA-N 400.541 1.556 30 10 HDEE CC(C)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2370840796 BEQFKEOJPFIPIH-TZMCWYRMSA-N 401.359 1.827 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc(Cl)c3)c2C)CC1 55078956 LXYUILUPYDCBGR-UHFFFAOYSA-N 402.886 1.289 30 10 HDEE Cc1nnnn1[C@@H](Cc1cccc(F)c1)C(=O)N1CCN(c2ncccc2C#N)CC1 97366122 LJVUJPGZESGXGP-IBGZPJMESA-N 420.452 1.520 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)CC(C)C)c2ccccc2)CC1 110586879 VDSOMOVJMSFBCI-OAQYLSRUSA-N 400.523 1.336 30 10 HDEE C=CCNC(=O)NC(=O)CSCC[C@H](NC(=O)OCc1ccccc1)C(=O)O 382412642 IQWVDZWDEZIPNL-AWEZNQCLSA-N 409.464 1.501 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(CC#N)CC3)CC2)cc1 431046712 DTNGFUZJVIFFKO-UHFFFAOYSA-N 404.492 1.599 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cn(C3CCOCC3)nn2)cc1 463945594 NJLJGRFTVNUSEP-KRWDZBQOSA-N 412.475 1.655 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(O)nnc3C2)n(Cc2ccc(F)cc2)c1C 475091550 IYVGWJQBFWPMDK-UHFFFAOYSA-N 423.452 1.915 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)CC(=O)Nc1cccc(F)c1 479822015 ICROYELCNQJOPB-ZDUSSCGKSA-N 418.450 1.461 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 484518671 OCINNYXDUKWYJZ-INIZCTEOSA-N 408.462 1.271 30 10 HDEE C=CCN(CC(=O)NC[C@@H]1CN(CC(C)C)CCO1)S(=O)(=O)c1cccs1 494464507 QYLCLAORZKEUIR-MRXNPFEDSA-N 415.581 1.398 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 500421079 FJWQLAJZBZVRID-QGZVFWFLSA-N 410.440 1.731 30 10 HDEE Cc1c(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1S(N)(=O)=O 508119835 MQMFOOHAULZIAL-KRWDZBQOSA-N 412.471 1.440 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2C)CC1 508216611 BOHBMEHXFUKEFP-UHFFFAOYSA-N 406.494 1.092 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN([C@@H]2C[C@H]3CC[C@H]2C3)CC1 508893314 GWMWLFRLYQSRMT-XLAORIBOSA-N 405.568 1.677 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c1 509218123 NHGMHBPQAKMGRQ-MRXNPFEDSA-N 401.510 1.020 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(CN4CCOCC4)cc3)CC2)nc1 517501217 GRDMQCNCTLUEQH-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1C 520896958 HVIJPZDRFLQHIP-GOSISDBHSA-N 423.538 1.487 30 10 HDEE COc1ccccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C[C@H]2CCCO2)c1=O 523305576 GLTPCJNOXQRWDX-QGZVFWFLSA-N 424.522 1.970 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 524350375 KTVCBIRMEOZVNZ-UHFFFAOYSA-N 412.515 1.748 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCSCC2)CC1 536375823 YUPRVAMECOBKSE-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE N#CCCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 543314022 UUSBRRVDBBQBNN-UHFFFAOYSA-N 402.270 1.222 30 10 HDEE N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCN2CCOC[C@H]2C1 544493596 KTUXQSYTEOMKIZ-MRXNPFEDSA-N 407.430 1.227 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CCCN2C(=O)Cc2cccs2)CC1 557746949 IUQJKHLCRDVFHT-GOSISDBHSA-N 409.515 1.897 30 10 HDEE CSC[C@](C)(C#N)NC(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 569504248 UKSOCUFMTFVAIL-BBRMVZONSA-N 400.526 1.454 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 572877167 OQGHFRHORBWLNY-LEWJYISDSA-N 424.526 1.577 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccnc(C)n2)CC1 576364632 OGXNZDSCAOJHMH-MRXNPFEDSA-N 417.539 1.181 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2)CC1 582144279 FPRWXUCVLMBTAB-INIZCTEOSA-N 404.536 1.453 30 10 HDEE N#Cc1ccnc(OC2CN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)C2)c1 585249487 ODUUUXRPPZAGJX-UHFFFAOYSA-N 412.471 1.641 30 10 HDEE Cc1nc(=NC(=O)CN2C(=O)CSc3ccccc32)n(-c2ccc(C#N)cc2)[nH]1 610112487 MOLHECNTFCEKOB-UHFFFAOYSA-N 404.455 1.947 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NC[C@H]1CCCCN1S(C)(=O)=O 672276253 RWMGZKRHRNKCKR-QGZVFWFLSA-N 418.519 1.981 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCCN/C(O)=C1\N=CC=CC1=O 732454637 HZUHJTFQPQBYTE-UVTIVQHFSA-N 421.498 1.602 30 10 HDEE C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCCC2=O)cc1 732455992 YRXSNFNHHBWVAU-BVGIJJTOSA-N 411.462 1.700 30 10 HDEE C=C(COC(=O)c1sccc1S(=O)(=O)N1CCSCC1)C(=O)OCC 734029224 RLFHZJYLAWOWCI-UHFFFAOYSA-N 405.519 1.762 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 734972897 QNUVQDHLBRYHAE-GFCCVEGCSA-N 408.457 1.234 30 10 HDEE Cc1cc(C)c(CCNC(=O)COC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(C)c1 741339336 FBVLNAFIFRSRNL-QURGRASLSA-N 413.474 1.730 30 10 HDEE COc1ccc([C@@H](CC(=O)OCC(=O)NCc2ccc(C#N)cc2)NC(C)=O)cc1 746547009 AWHIZRSPQXWDHO-HXUWFJFHSA-N 409.442 1.994 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cn1 747496507 MHKPSPOUZRNENC-UHFFFAOYSA-N 413.434 1.316 30 10 HDEE COc1cc(CC2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)C2)cc(OC)c1 752964419 GJVODZUYUZTNTM-FMQUCBEESA-N 414.462 1.414 30 10 HDEE COC(=O)[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)c1ccc(C#N)cc1 755998191 JCCFOMHSMRVWQT-CQSZACIVSA-N 405.398 1.676 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(N3CCCC3)nc2)c1=O 758054151 JRTDOXBUWZUGFY-UHFFFAOYSA-N 418.522 1.410 30 10 HDEE COC(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 763383051 SOTSNVOOKLTEEA-UHFFFAOYSA-N 401.379 1.865 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@H](O)c3ccccn3)CC2)cc1 764966529 UGHIHFVYXUJPKH-IBGZPJMESA-N 414.487 1.204 30 10 HDEE C#CCN(C(=O)NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCS(=O)(=O)C1 774198182 UFMHHSDMWPVGDL-QGZVFWFLSA-N 405.451 1.855 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnc(C)s2)C1=O 779755663 VEMNHGUBWTYOMN-CYBMUJFWSA-N 400.489 1.986 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(C)c3)C2)n1 788819218 VKQWGWZMBGYSOQ-QGZVFWFLSA-N 412.465 1.992 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1C/C(=C/c2cocn2)C(=O)/C(=C/c2cocn2)C1 790216294 QNVYLNMFQWLCQP-YJGGCFATSA-N 415.431 1.743 30 10 HDEE CCn1ncnc1CN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 794440549 FNGSPMKQYYSCIC-INIZCTEOSA-N 423.502 1.970 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CCN1C1CC1 797673777 KXCFOMNFCLPGSD-HNNXBMFYSA-N 404.496 1.070 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C 808317862 SDIBEXDYNXMARZ-INIZCTEOSA-N 408.480 1.659 30 10 HDEE COCC[C@H](COC)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 810164171 ATVGFSSQGYUIHM-OTUOZYHDSA-N 412.512 1.672 30 10 HDEE Cn1nc(CC(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c2ccccc2c1=O 812680880 KQGRHIRZQROPIP-LJQANCHMSA-N 402.410 1.696 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc3nc(Cl)c(C)cc3c2)CC1 814979937 VMHJDWISSLCDPO-UHFFFAOYSA-N 422.938 1.805 30 10 HDEE CN1CC[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](c2cnn(C)c2)C1 849571739 HYJAWUGSHIWPNU-DZJNRPSUSA-N 416.526 1.331 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 917493562 ZXQNSQJCIYHCAS-UHFFFAOYSA-N 410.459 1.389 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)s1 917767628 BKEUFUFKQDYNOM-ZDUSSCGKSA-N 403.529 1.582 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)Cn1cnc2c(cnn2C)c1=O 928713670 XFVLMFPUUUHODP-CYBMUJFWSA-N 415.475 1.338 30 10 HDEE C=CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OCC 1116568236 PBTQUVODDLLBQC-KGLIPLIRSA-N 400.522 1.915 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1128432512 LYGLXISKQKJNLO-IFXJQAMLSA-N 408.458 1.927 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)nn1 1130121857 CGYRYLJAPAPVJY-AWEZNQCLSA-N 409.537 1.551 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 1137891713 CXICKSWXRFTWMY-RDBSUJKOSA-N 403.907 1.774 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)nn1 1142655800 ZUFZRJCSUGANAR-UHFFFAOYSA-N 423.477 1.738 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CN(C)CCO1 1150039808 YCXFRMLTQAZGLP-SJKOYZFVSA-N 407.312 1.592 30 10 HDEE C#CCN(CC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)C(=O)OC(C)(C)C 1151437244 LFJGJSYLRWMENN-HNNXBMFYSA-N 413.482 1.032 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1 1151667037 CFJXAMXUOFWYEV-UHFFFAOYSA-N 420.441 1.464 30 10 HDEE CC(C)[C@@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1CCCS1(=O)=O 1152028899 DLMKOHRFCBNBAZ-SFHVURJKSA-N 408.499 1.406 30 10 HDEE C[C@H]1c2nncn2CCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1154275330 CJLRQLQWVJIGHH-NSHDSACASA-N 401.268 1.952 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cccc(Nc4nn[nH]n4)c3)C2=O)cc1 1156591234 CAIZDCHEUQJFOR-QGZVFWFLSA-N 402.418 1.346 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CCCN(c3ccc(Cl)cc3Cl)C2)c(=O)nc1O 1156906147 AAEZFUVQKIRJTO-CYBMUJFWSA-N 422.272 1.913 30 10 HDEE C=CC1(CC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1159208385 QBGONPBBSKXZPE-CQSZACIVSA-N 401.529 1.292 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC3(CC2)CNC(=O)N3C)CCCN1C(=O)OC(C)(C)C 1162718791 QQUAQWWYGPFHCT-NRFANRHFSA-N 404.511 1.796 30 10 HDEE C[C@@H](CC(=O)NC(C)(C)CCN1CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1167523679 OBTSXYNAFGVCIL-HNNXBMFYSA-N 422.551 1.121 30 10 HDEE Cn1c(=O)nc(O)c2nc(CCC(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)[nH]c21 1175354843 RQWUFJLYPNJGEW-CQSZACIVSA-N 420.351 1.586 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1178063086 KTNGXRDCANDMGZ-HZSPNIEDSA-N 407.492 1.161 30 10 HDEE N#Cc1cncc(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c1 1187662783 LUJNFDBYJVVJFI-UHFFFAOYSA-N 403.420 1.494 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](c2ccccc2)C2CCCC2)c(=O)n1CCO 1189977658 VNRXOEIPFSFTNB-FQEVSTJZSA-N 410.474 1.230 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C[C@H](O)CC3(C#N)CC3)CC2)c([N+](=O)[O-])c1 1191928317 JYLRXFOFTSSSOF-CQSZACIVSA-N 408.480 1.175 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1214032916 CSMQRHFVJJNTTR-UHFFFAOYSA-N 420.535 1.792 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1215125466 NYGNVTQLIYRDDO-KRWDZBQOSA-N 422.551 1.563 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1226867448 RXBCFFRUFWIJRJ-GDBMZVCRSA-N 408.503 1.850 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@H]1CCc2cc(C#N)ccc21 1248473224 LYYRSAJWNVUDLP-FQEVSTJZSA-N 419.485 1.620 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN([C@H]4CCOC4)CC3)CC2=O)cc1Cl 1278489525 IFUHPUCNPLPCHW-RDJZCZTQSA-N 402.882 1.498 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1286295573 JJWKEKOZZJTOHI-FUHWJXTLSA-N 417.535 1.426 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1286303252 PZHDQFYMQZBVSG-FVJLSDCUSA-N 401.511 1.587 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286393976 SLIVKMHOFNJIHY-OXJNMPFZSA-N 418.519 1.358 30 10 HDEE C#CCN(c1nnc(CC)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286394998 QDDXJVOLYFNNKT-QGZVFWFLSA-N 421.567 1.306 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1286396580 WFLLZPJFDJRFAW-IAGOWNOFSA-N 424.567 1.471 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286455632 GQILMIYHLBNUAO-FQEVSTJZSA-N 418.494 1.484 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)CC1 1286567344 UWMOZJOEXJSGEF-PKOBYXMFSA-N 401.536 1.814 30 10 HDEE C=CCCCn1c(C(C)C)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286693473 QTGRSBOWEUTKGH-KRWDZBQOSA-N 411.572 1.999 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@@]1(O)CCS(=O)(=O)C1 1286742419 KMHRKVTUANBXNU-IBGZPJMESA-N 401.492 1.200 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C(C)C 1287475280 QRCGSSRCWIQDOV-UHFFFAOYSA-N 424.553 1.842 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1289362910 XJMGTPITQNBITN-UHFFFAOYSA-N 410.467 1.990 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1298247542 BHESKEYFNIBFAN-JTQLQIEISA-N 403.386 1.692 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1nnnn1CC1CC1 1300324411 DTUUTAJKCUXFTO-AWEZNQCLSA-N 410.457 1.899 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(N)=O)CC1 1300372310 PFJLHEMNAVSCPH-UHFFFAOYSA-N 414.535 1.775 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1300430623 OYHYMMMOXHSKQB-OAHLLOKOSA-N 401.442 1.485 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300459643 FPRCJIDGXDRMBE-UHFFFAOYSA-N 417.521 1.390 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)cc(C)c2)n1CC(=O)NCC(F)F 1300545886 YCLAFGWXHGIGSJ-UHFFFAOYSA-N 415.444 1.928 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)C(C)(C)C 1300553790 SKUOUAJDVSAMJO-UHFFFAOYSA-N 414.554 1.822 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](COC)C1 1300778625 BNIJXMKJLGYQHE-ULQDDVLXSA-N 410.540 1.220 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)CC=C 1300788934 REIOPNDKLZQSEY-UXHICEINSA-N 422.551 1.523 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1300925746 CBMRIHVLUHNKIV-UHFFFAOYSA-N 415.498 1.688 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(N)=O)C1 1301141068 IHOOWEBAJMDUDQ-INIZCTEOSA-N 421.509 1.835 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1301273112 NMYMTEKLPJUQQY-AWEZNQCLSA-N 407.540 1.786 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1301350528 ZJVVSHBOBJHTSM-UHFFFAOYSA-N 412.473 1.925 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccc(F)cc1 1301422732 VHUBOXKIPKIUQN-UTKZUKDTSA-N 417.485 1.915 30 10 HDEE C=CCOc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCNC(=O)C2)cc1 1301527481 YDYKMNPGFAIGHP-UHFFFAOYSA-N 404.474 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301568191 DGWYQYUINVAOAU-UHFFFAOYSA-N 409.556 1.416 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1301586399 SCPOUESGTOEWEM-MRXNPFEDSA-N 424.567 1.921 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)CC1 1301610493 ZESIRYKIIWSLQB-MRXNPFEDSA-N 416.555 1.209 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1303635250 CKFLYKRCUQLBRU-HUUCEWRRSA-N 401.515 1.616 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cc1 1303764754 GXBBXHZQRXKNBR-BEFAXECRSA-N 407.492 1.502 30 10 HDEE O=C(CNS(=O)(=O)c1ccc(Br)cc1)NCC#C[C@H]1CCCCO1 1305002794 UHZQHRGSXNGPBP-CQSZACIVSA-N 415.309 1.416 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)C1 1311489665 DRDVCLUIYBXJEC-QGZVFWFLSA-N 402.495 1.059 30 10 HDEE CO[C@](C)(C1CC1)[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1312860820 HXRORTXSHIIINF-YWZLYKJASA-N 420.535 1.778 30 10 HDEE COC[C@@H](F)Cn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1315827274 SMUANZJVAHHXRM-HOCLYGCPSA-N 414.489 1.592 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2CCC(=O)NC2=O)c1 1319324743 OGRRKEFOKMJFQX-MRXNPFEDSA-N 422.466 1.824 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1358955684 QXMLMJMGDXZBJI-SJORKVTESA-N 422.551 1.571 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCC2)CC1 1359036496 XWBLCBPTJIMPQU-ROUUACIJSA-N 403.552 1.292 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359115446 ZEVUZJUNASNRDU-SFHVURJKSA-N 410.565 1.882 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(=O)N(CCOC)C1 1359230003 BRYUWAYZTXAGBD-OAHLLOKOSA-N 413.482 1.043 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359302798 UTCFVAIKHCRHDG-IBGZPJMESA-N 400.508 1.092 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(C)=O)C1 1359312114 NXOPUBVFFWDUOT-INIZCTEOSA-N 413.482 1.233 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1359572949 DHEXJWFGAQXGPM-LSDHHAIUSA-N 406.487 1.773 30 10 HDEE C=CCCC(=O)Nc1ccc(COC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)cc1 1435976125 LILCTXCOWZWDHJ-UHFFFAOYSA-N 418.475 1.779 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(Oc2cccnn2)cc1 1438016390 VMPVKGGUPHPAMU-UHFFFAOYSA-N 409.427 1.946 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1438772651 VRTZLAPTHWTZOG-KGLIPLIRSA-N 410.540 1.700 30 10 HDEE C#CCN(C(=O)Cn1cnc2ccc(Br)cc2c1=O)C1CCN(C)CC1 1439600529 DKQTUTTTXMOHBQ-UHFFFAOYSA-N 417.307 1.715 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCC(F)(F)F)CC(=O)OC)cc1 1445491696 GYAAUSJXTYRNBN-UHFFFAOYSA-N 408.398 1.719 30 10 HDEE CNS(=O)(=O)[C@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C1 1446521262 QXAONGLJSMKUEX-UONOGXRCSA-N 402.517 1.114 30 10 HDEE CCO/C=C/[C@@](O)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(F)(F)F 1450334811 CMNKNXJIBBVKEV-KEDPEKRHSA-N 424.372 1.696 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc(O[C@@H](C)CC)c2)CC1 1463169889 ZKOJOHNJBZPDSX-KRWDZBQOSA-N 407.536 1.310 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCOC)C[C@H](O)C(F)(F)F)c1 1463973498 IHTBFPYCIAQGIN-AWEZNQCLSA-N 410.414 1.163 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(CCCn2ccnc2)CC1)c1cc[nH]n1 1466345470 BLAYRLAEIRNODG-UHFFFAOYSA-N 416.482 1.609 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 1467820671 FWVUGUSWSPFNNC-GOSISDBHSA-N 418.902 1.963 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCn1c(C(F)(F)F)ccc(C#N)c1=O 1473077842 LCYIKGQSSDLJMF-NTUHNPAUSA-N 401.366 1.719 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1475487257 JKXLDQKLRHASRQ-OAHLLOKOSA-N 402.538 1.683 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N1Cc2cccc(C#N)c2C1 1479279339 ONLLSJZWNJHPTP-UHFFFAOYSA-N 405.458 1.358 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1503507754 SLEARIZBIDOFAA-GWOGKKTRSA-N 412.450 1.885 30 10 HDEE CS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@](F)(C#N)C1 1505135018 HHSXTQXZEVHKGV-QAPCUYQASA-N 421.454 1.277 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1507531866 ALQIKLRHIYQKRS-WMZOPIPTSA-N 410.522 1.676 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1507536133 ATNBSWNDJYOHEI-YOEHRIQHSA-N 404.492 1.683 30 10 HDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C(=O)NC)C1 1507593690 UHPQRTQERVKNQF-IBGZPJMESA-N 406.490 1.646 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1-n1cccn1 1507605981 YONDJTHTQUGMHR-UHFFFAOYSA-N 413.445 1.624 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1507634396 KFGFGAXZKGNCKU-WMZOPIPTSA-N 417.535 1.173 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1507651154 DVNVKZHZQXCWJC-GOSISDBHSA-N 423.492 1.576 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCN1CCN(C)C(C)(C)C1 1507665429 NUDVOGSKRWRLNE-UHFFFAOYSA-N 405.550 1.829 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(OC)CCC1 1507710184 CNOULMWUJMNTKR-INIZCTEOSA-N 410.540 1.225 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCOCC)CC1 1507737877 CJXABDFFHMKOTI-LJQANCHMSA-N 417.554 1.955 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1507773599 UVYRZAYFWDEKOO-CNNODRBYSA-N 400.571 1.800 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CCC)C2)CC1 1507883195 ZXDRLTZBJFMJTC-DLBZAZTESA-N 410.588 1.777 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1507958599 XJJRSZBACUJNGH-LSDHHAIUSA-N 401.533 1.096 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1510106203 GTPPUVHLXMWLEO-KRWDZBQOSA-N 423.521 1.063 30 10 HDEE CC1=CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1511374110 IEEZWOALSHNGHG-MXLIYFDZSA-N 412.494 1.855 30 10 HDEE Cc1csc([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)n1 1511438852 APNBICJEZVMSTC-UKRRQHHQSA-N 415.523 1.812 30 10 HDEE COc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNS(C)(=O)=O)c1 1518371412 OHWINTUZHUIGSO-SFHVURJKSA-N 422.486 1.335 30 10 HDEE Cc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)cc(C)c1C#N 1521102737 XZCHGQQFZCFZPU-UHFFFAOYSA-N 413.503 1.904 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1538976359 KRPVNYWGSOUFHQ-KKSFZXQISA-N 413.526 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1539013754 NPXOTGUASVNOPX-HKUYNNGSSA-N 410.522 1.910 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1CC 1539014242 LPIBPJOOMUECDL-GJZGRUSLSA-N 418.567 1.545 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccnc(SC)c1)[C@@H]1CCS(=O)(=O)C1 1539219641 LNBFQMIIZJONLI-OAHLLOKOSA-N 405.549 1.632 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCNC(=O)C(C)C)CC1 1539453711 PPOGOCSBDDMSFG-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](CC)OC)CC1 1539481320 LBAFSBVXVLJMET-MSOLQXFVSA-N 403.527 1.563 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1539613030 SPHLNKMIQUAAMJ-OAGGEKHMSA-N 404.515 1.064 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CC(=O)N1CCOCC1 1539626336 CZAVFUVJCHWRDP-MJGOQNOKSA-N 403.527 1.822 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1540867280 QFNWXSRAOZWKQY-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCS2)C1 1540893079 WNBNDFTZVIHZCZ-XHSDSOJGSA-N 412.581 1.857 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1541815638 NTVBZKLDYORRMA-YJBOKZPZSA-N 410.478 1.774 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1547900060 GGZBWNDJSZNIJG-CDHQVMDDSA-N 402.499 1.339 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1554528336 NLJXRLDKEFHCJG-IIBYNOLFSA-N 408.462 1.294 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555775105 ZITCUMJKMBJACR-UDJKBAMHSA-N 423.477 1.400 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCOCC2CCOCC2)CCO1 1555993744 RAIOFSSTTVZZEF-QGZVFWFLSA-N 413.482 1.297 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCCCc2ccc(OC)c(OC)c2)CC1 1556504422 XVJSBNKCCNDYKE-UHFFFAOYSA-N 401.507 1.310 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NOc3cccc(C#N)c3)cc2[N+](=O)[O-])CC1 1557921230 QUSXQHWCQHMXQX-UHFFFAOYSA-N 409.402 1.859 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NC[C@H](CO)Cc1cccnc1 1561702791 FFUKCDOEMMAUSA-CYBMUJFWSA-N 410.293 1.845 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@H]2CCN(Cc3ccccc3)C2)CC1 1568872408 VMKVOSRRFXMQJZ-FQEVSTJZSA-N 405.502 2.000 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)CCc2nn[nH]n2)CC1 1585535590 ZYBDVGGRBTYVQF-CQSZACIVSA-N 404.272 1.304 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1586803282 BROAZJJIFYBIQT-AEFFLSMTSA-N 406.464 1.900 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCNC(=O)C2CC2)c1 1587684317 VZGRAMLRNHILQJ-UHFFFAOYSA-N 408.506 1.984 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](Cc1ccccc1)OC)[C@@H]1CCS(=O)(=O)C1 1588035646 WMJLATSMSPDVGA-MOPGFXCFSA-N 402.520 1.471 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCn1cccn1 1588174648 YYPQSZBAMYDDQJ-UHFFFAOYSA-N 402.462 1.675 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCC(=O)N1 1588659813 OIILQUYHXOMCSR-QGZVFWFLSA-N 401.898 1.887 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1594914041 UGDZHZMGCRVEQA-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCOCC2)C1 1595714611 OPSRSUQQFYGUAB-QGZVFWFLSA-N 413.526 1.627 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1595760392 MLJBLNUOPZIEFI-GOEBONIOSA-N 424.571 1.433 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1595805337 NKNAIXUEOVYZST-INIZCTEOSA-N 409.556 1.279 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1611285921 BADRESRCBZYIML-NSHDSACASA-N 419.291 1.851 30 10 HDEE Cn1c(N2CCC[C@H]3CC[C@]32CNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1612988183 BOYNGSDCTPOURI-RBZFPXEDSA-N 403.483 1.229 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C=C(N[C@@H](C)C(N)=O)C[C@@H]1C)C2=O 1615244017 URQIGPIXVKCXMU-OCCIGCLGSA-N 408.838 1.627 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCN(C)C)CC1 1620567585 DUDSFBLBHKPELD-QGZVFWFLSA-N 408.543 1.210 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3ccn(CCC)c3c2)CC1 1623139553 MZLUZPYEABAPHB-UHFFFAOYSA-N 403.508 1.668 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cccn2ncc(Br)c12 1623197377 MMCLKDSKPOTUOR-UHFFFAOYSA-N 402.256 1.979 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)NCC3(CC#N)CC3)CS(=O)(=O)[C@H]2C1 1626551110 RKUFPBVWTFAPBH-KFWWJZLASA-N 411.524 1.467 30 10 HDEE C=CC1(CC(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)C1 1627882888 KQZRZMFIFBJXBN-CQSZACIVSA-N 413.515 1.801 30 10 HDEE Cc1[nH]nc(I)c1C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1629268265 CAKIWIRHPARXQP-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE COCc1cc(O)ccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1629689194 WJECWKDNQBTWRV-GFCCVEGCSA-N 403.460 1.994 30 10 HDEE C=CCCOCC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1630604021 VPHJRFLJRHRROX-UHFFFAOYSA-N 400.523 1.661 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCn2cc(C#N)c(O)nc2=O)CC[C@H]1C1CC1 1633550062 JYZDJCGOUYKRTP-GJZGRUSLSA-N 417.466 1.115 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCn2nc(C(=O)OC)cc21 1636929121 QAJDQGFAOXPCLU-KGLIPLIRSA-N 404.467 1.928 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)c1 1638067815 VXFDOUFFESXYGB-OAQYLSRUSA-N 413.499 1.420 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)n[nH]c2C)CC1)c1ccccc1 1638916789 LXTRDAKRJSPPGV-GOSISDBHSA-N 400.504 1.918 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C[C@@H](CC(F)(F)F)O1 1641092390 PRDMFQTYCRUMDE-YRGRVCCFSA-N 419.425 1.793 30 10 HDEE Cn1cnc2c(SCC(=O)N3CCN([C@H](C#N)c4ccccc4)CC3)ncnc21 1641402035 YSAUZQAEOSWPLH-MRXNPFEDSA-N 407.503 1.864 30 10 HDEE C#C[C@@H](NC(=O)c1cnn2c1S(=O)(=O)N(C)CC2)c1ccc(Br)cc1 1641518084 SJEBWUBYGWAWJR-CQSZACIVSA-N 423.292 1.384 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CO[C@@H](CN(CCC#N)CCN3CCOCC3)C2)C1 1641935389 WLKQUQVZYZTOHA-KNQAVFIVSA-N 422.570 1.950 30 10 HDEE C=CCN(C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1)[C@@H]1CCS(=O)(=O)C1 1642071929 LVQXTWPUXPLSIG-HUUCEWRRSA-N 414.524 1.214 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1)c1cc[nH]n1 1642608004 SNYZNELFNDJPBG-FQEVSTJZSA-N 410.434 1.172 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cn(C)c2ncccc12 1642928638 ALDHXQALXYNUQX-CQSZACIVSA-N 411.487 1.471 30 10 HDEE C#CCn1ccc(CN(CCOC)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)n1 1642952085 FVCWLCCTJIMPKC-NRFANRHFSA-N 406.527 1.727 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)C1=O 1643338581 UCBIFGBXEXSIOI-BTYIYWSLSA-N 412.446 1.268 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C)c(OC)c3)CCC2)CC1 1643372250 CNBYAUFFGBUJFF-UHFFFAOYSA-N 405.520 1.037 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)OCC 1643652216 LRXDIZATOXMUHA-WMZOPIPTSA-N 424.519 1.772 30 10 HDEE N#CC1(C[C@@H](O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C(=O)CO3)CCOCC1 1644297792 RFKUUJSWLUBQTB-OFNKIYASSA-N 413.518 1.561 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](NC3CCOCC3)C2)cc1 1644687167 VDDXCTMHTMBZSW-SFHVURJKSA-N 407.536 1.524 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@H](Cc4nn[nH]n4)C3)ccc2c1=O 1645346205 HPFGZYGRICUJIN-GFCCVEGCSA-N 411.491 1.479 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3cc(=O)c(O)co3)C2)C1 1648307516 LIVKSVQNPANNAM-BTTAGBNVSA-N 403.435 1.748 30 10 HDEE C#CCN1CCN(C(=O)CN[C@](C)(CO)Cc2ccc(Br)cc2)CC1 1648467020 UOWUQTHAFAMNNW-IBGZPJMESA-N 408.340 1.110 30 10 HDEE CN(C[C@@H](O)c1cccnc1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1648501298 CWBMJUHIVTWBBJ-ZWKOTPCHSA-N 407.430 1.350 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)C1 1651801643 DBMOSJAEMCFSEN-LJQANCHMSA-N 403.548 1.448 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(c2ccc(C#N)cn2)CC1 1655173111 VIUWZORWQARACU-AWEZNQCLSA-N 413.503 1.807 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2Cc2c(C#N)cccc2[N+](=O)[O-])C1 1655234769 RJACSBSYZADXKU-UHFFFAOYSA-N 415.450 1.778 30 10 HDEE COCC(COC)N1CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 1670163815 ADIKEFULDXSUSO-UHFFFAOYSA-N 416.457 1.694 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1670502781 XFIKRZRFFDXFND-ICSRJNTNSA-N 420.531 1.993 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)NCC#C[C@@H]3CCCCO3)C2=O)c(OC)c1 1672547699 GIYSUKKUWXKHHW-HKUYNNGSSA-N 415.490 1.676 30 10 HDEE C#CCC1(NC(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)CCOCC1 1673921322 CLQNBWGYOHIFEQ-UHFFFAOYSA-N 414.506 1.777 30 10 HDEE C#CC[C@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1674419157 QLXQVUOAHRCXPN-CYBMUJFWSA-N 401.510 1.653 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 1676035228 HRZWOBLYAHLGSX-UWJYYQICSA-N 406.527 1.505 30 10 HDEE C=CCCC[C@@H](NC(=O)NCCN1CCN(S(C)(=O)=O)CC1)c1ccccc1 1677973910 OWZMKJRWQWPQDA-LJQANCHMSA-N 408.568 1.960 30 10 HDEE C#CCOCCNC(=O)N1C[C@@H]2CC[C@H](C1)N2C1CCN(C(=O)OC(C)(C)C)CC1 1679422115 GMKPXMHWESNAFL-KDURUIRLSA-N 420.554 1.894 30 10 HDEE C#CCN1CCC(NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)CC1 1680668210 YJEDAYRMRWYWNE-UHFFFAOYSA-N 403.958 1.859 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N1CCC(Oc3ccnc(C(N)=O)c3)CC1)C2 1683589423 BZJMNBYWMTVNRP-KRWDZBQOSA-N 405.458 1.772 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CS1(=O)=O 1686978301 SUBWUDZUFNDPJL-VQIMIIECSA-N 404.536 1.741 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)NC(C)C 1690041975 PCNHWCMLTPFERD-UHFFFAOYSA-N 417.510 1.875 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1690042119 UPGVYFLDUGOXTC-UHFFFAOYSA-N 422.514 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](OC)C1CC1 1690100985 KGFMQNHQVPJPNE-KRWDZBQOSA-N 401.467 1.517 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2ccc(O)cc2)CC1 1690129399 WCZYBUPHWCEHGM-UHFFFAOYSA-N 402.502 1.967 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]2CSC)nnc1[C@]1(OC(C)C)CCOC1 1690677281 SYWSJSMTNHIONB-UZLBHIALSA-N 423.583 1.953 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1691001588 LAJJPFVBWOIZQO-UONOGXRCSA-N 405.503 1.740 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1692672228 FDIAEUBRFUSKRM-RDJZCZTQSA-N 412.494 1.855 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C1 1692849773 CSCLXXJFHFCYGC-OAQYLSRUSA-N 404.478 1.805 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C1 1696941598 FVABELRYOFLLFV-DLBZAZTESA-N 400.458 1.764 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C[C@@H]1O 1698440984 YBTNJYXMCLTSSQ-HFTRVMKXSA-N 415.519 1.459 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCOCC2)C1 1705517614 ZLZMKQFBCIVCBK-KRWDZBQOSA-N 406.552 1.991 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1705553575 SDYDPHWFMZQOLA-YLJYHZDGSA-N 405.568 1.797 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1705659768 FZLBCLHTXCMQQG-UHFFFAOYSA-N 418.611 1.949 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2snnc2C)C1 1705916401 KFYMXBXGIOAWFN-BEFAXECRSA-N 420.539 1.920 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](COC)OC 1708476831 ATHIKORBHZWHMW-XJKSGUPXSA-N 400.483 1.988 30 10 HDEE COCCN(C)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1712427770 XFOHXPKPUFTDST-NRFANRHFSA-N 420.558 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1722292096 HJJYXDPRANFIJB-IRXDYDNUSA-N 418.505 1.861 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCO1 1722423009 WJOFHBBTOSXAPG-RXVVDRJESA-N 406.527 1.974 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)C2CCCC2)CC1 1722429233 IZUDKURYQUAICD-UHFFFAOYSA-N 401.559 1.046 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722452910 XPTLRQBZMJAHHP-UHFFFAOYSA-N 418.611 1.902 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1722458460 JZERFJUAZAEGJY-MRXNPFEDSA-N 418.567 1.290 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)CCC)CC1 1722532698 UFOPOCDBFZJDAZ-QGZVFWFLSA-N 418.542 1.707 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@@H](C(N)=O)C1 1722694314 RVGSJJPFOFRAND-OAHLLOKOSA-N 408.462 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(COC)CC1 1722694602 BBPPTIVUAHTFNS-UHFFFAOYSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1722701479 RATGLRJWGKFDFV-SFHVURJKSA-N 410.522 1.457 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1722733047 WFEXNBJOCMBLEC-CHWSQXEVSA-N 405.615 1.749 30 10 HDEE C[C@@H]1CCCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)C1 1726575208 AJLPRIFRHACYRG-IEBWSBKVSA-N 412.542 1.919 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1conc1COC 1729623675 BUWQQOONQOQPSN-CQSZACIVSA-N 423.477 1.818 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cncn2)c1 1730016161 DXLFXNVXHDPITE-LJQANCHMSA-N 412.429 1.696 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCn2nc(C)nc2C1 1730629941 HQYPVXKPPRWQGX-NRFANRHFSA-N 422.493 1.524 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCSCC3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1731184983 NLDPYLDCAMZLRY-ZWKOTPCHSA-N 415.519 1.822 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1740610081 RRUAQBFSOPGDAW-AUUYWEPGSA-N 406.483 1.296 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1740649016 WUCKGAFDHRJPGI-UHFFFAOYSA-N 412.881 1.315 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCSC1 1740649250 PQNHEDVITXTVNC-LEWJYISDSA-N 418.563 1.650 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC[C@@H]2COCCO2)CC1 1740701751 CKBLJLQHDOHGOE-QGZVFWFLSA-N 403.527 1.347 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)CCCC 1740725074 LRMUQTWICBHRQZ-VQIMIIECSA-N 410.588 1.612 30 10 HDEE C=C(Br)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1740747369 GRVQXYIXPZIUFH-CQSZACIVSA-N 412.332 1.871 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H]21 1740750486 CHMREKQVHDMMGA-SIRPWMCASA-N 409.556 1.858 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740756435 HTNVBNUAIHOVRQ-HZUJVAHNSA-N 411.510 1.679 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1740792250 WFIXYWAEIOHNJN-OXQOHEQNSA-N 400.483 1.712 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1740946240 CLUKCWMMIOFCRK-IBGZPJMESA-N 405.506 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1740951967 QUPDCIIVYRPHSN-HOTGVXAUSA-N 423.525 1.471 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(Cc1ccco1)C(C)C 1740963875 ZTKGOGHRWQLEPX-UHFFFAOYSA-N 400.483 1.711 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCO[C@H]2C)C1 1740983482 JRROCVHJJYWIHJ-UEXGIBASSA-N 416.526 1.461 30 10 HDEE CCOCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)C[C@@H](C)C#N 1747354421 PKDMVVGXBLJCPJ-HNNXBMFYSA-N 420.539 1.828 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC(=O)NCC(F)F 1748859053 BJPONAZWIIMOSY-UHFFFAOYSA-N 401.417 1.620 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC2CCN(CCN(C)C)CC2)CC1 1748973070 WNFDNQJQSPKUEH-HXUWFJFHSA-N 415.630 1.820 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1749066360 JHVXNYOSTDYVNP-HNAYVOBHSA-N 418.523 1.497 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1749187869 SUEFFHRDIPGKMR-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749363329 AVIUUEQXIRHFIL-QZTJIDSGSA-N 416.570 1.990 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749426457 CALRIKQCGJZZKO-ZWKOTPCHSA-N 402.543 1.491 30 10 HDEE C=CCCOCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1749448388 ZESNKVHGAGOQRC-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1749592803 YPRUOJBBXKQJFT-UHFFFAOYSA-N 422.291 1.246 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@](C)(CC)C1 1749721309 GKTLASUXPXZZRR-SFHVURJKSA-N 413.544 1.022 30 10 HDEE CC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)CC1 1752216459 CVIHLTBNCFLOEV-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)OCCc2sccc21 1760201986 PSWQBGUBPGHUOO-HRAATJIYSA-N 409.515 1.852 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1760281203 LTFJGENRKBSCOD-LSDHHAIUSA-N 412.581 1.550 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1760440528 LUBIFESYZRSCNN-OXJNMPFZSA-N 424.567 1.921 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)C[C@H]2C)cc1 1760529292 BVEYMKPTKVSAFJ-CRAIPNDOSA-N 424.505 1.509 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760559880 MDWJXWJUSKXXSZ-LJQANCHMSA-N 408.616 1.737 30 10 HDEE CC(C)NC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1761259859 FXOIGRMGOFDMBB-UHFFFAOYSA-N 408.510 1.663 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1768633316 DZBXNRSUFXNGPB-ZWKOTPCHSA-N 415.519 1.725 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](COC)C1 1770748186 CJWIGTXSHBOUAL-QFBILLFUSA-N 415.494 1.863 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1770786984 QOIIUYRWDNMSGY-INIZCTEOSA-N 409.487 1.672 30 10 HDEE C=CCCN(C)C(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850369798 SSSGEUCYNKBMAZ-UHFFFAOYSA-N 411.418 1.826 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)O[C@@H]2CCOC2)cc1 1851464919 BOMIBMCNXAYJCW-MJGOQNOKSA-N 400.456 1.780 30 10 HDEE CN1CC[C@@H](c2ccc(F)cc2)[C@H](COC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1851849993 VISMTBWYXSVTRH-RDJZCZTQSA-N 400.410 1.238 30 10 HDEE CC(=O)N1CCN(C(=O)CCON=C(N)c2ccc(OC(F)(F)F)cc2)CC1 1853475483 FLBYYANPOPXTMM-UHFFFAOYSA-N 402.373 1.303 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)CC1=O 1854292254 UTXANNMCNAECOV-WBVHZDCISA-N 419.913 1.020 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)[C@@H]3CCC(F)(F)C3)C2=O)C1 1854336175 MFEQYMOMBKXUTO-CZUORRHYSA-N 404.417 1.969 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cccc4c3OCO4)C(C)(C)C2=O)CC1=O 1854378163 KIRIBFUJURVKKX-INIZCTEOSA-N 413.474 1.399 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC(Cn4nccn4)CC3)CCC2=O)cc1 1854618238 RUWIMPBKTOGDDP-IBGZPJMESA-N 406.490 1.941 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCC[C@H](N2CCN(c3ncc(F)cn3)C(=O)C2)C1=O 1854759564 XRDJJPGRBUGQLB-ZBFHGGJFSA-N 403.458 1.384 30 10 HDEE Cc1cc(CC(=O)N2CCCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)no1 1854798538 HRJGOXCIMXNINJ-SFHVURJKSA-N 409.446 1.463 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)CSc3ccncc3)C(=O)C2)C1 1854956415 MOGAXIJWXGSCRZ-SJORKVTESA-N 401.536 1.611 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC[C@@H](Cn4nccn4)C3)CC2=O)cc1C#N 1856168580 LJBSZXBKGXVQKJ-QZTJIDSGSA-N 406.490 1.859 30 10 HDEE Cc1ccc(Cn2nc(C(=O)N3CCN([C@@H](C)CCC#N)CC3=O)ccc2=O)cc1 1856386965 AKANLIFHYVXJLR-KRWDZBQOSA-N 407.474 1.577 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCC[C@H](N4CCC(CC#N)CC4)C3=O)cc2n1C 1856538662 MWWQKAHEZBPFPI-SFHVURJKSA-N 409.490 1.634 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](N2CCC(CC#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1856539001 VGBOBJFTLDSXSC-DNVCBOLYSA-N 411.506 1.825 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cccc(F)c1 1856978718 GITKLLUCSKBXTC-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1857135293 QXQMBKSCKLFNKC-RDJZCZTQSA-N 411.849 1.896 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3nccnc3c2)C1)[C@@H]1CCN(C)C1=O 1857298661 FFCCVGYJVVUZFD-DNVCBOLYSA-N 407.474 1.337 30 10 HDEE C/C(=N\O)c1ccc(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1 1860470947 DQCHJWUTVZBKSO-VXLYETTFSA-N 408.392 1.458 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2cccc(OC)c2OC)CC1=O 1872974333 JAIIQSBIXSOJDX-VBKZILBWSA-N 410.474 1.936 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NC[C@H]3CCCO3)ncnc21 1875228254 HKTCTOXPUANADG-MRXNPFEDSA-N 412.494 1.513 30 10 HDEE C#CCOC1CN(C(=O)[C@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(OC)cc2)C1 1890926455 HZSMLROQIDJLRI-PMACEKPBSA-N 402.516 1.949 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 1915241058 ZEECXPHMFWQILX-UHFFFAOYSA-N 406.529 1.833 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1984733665 INEQAIBIZRKIRI-CVDCTZTESA-N 415.534 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)CC2(C#N)CCCC2)[C@@H](CO)C1 2172900806 RQGLQHOWXCRWDX-CABCVRRESA-N 401.529 1.608 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](CS)C(=O)O)[C@@H]2CCCO[C@H]2C1(C)C 2180248512 RHELZUDYPRJCMV-DEDUFFMVSA-N 402.513 1.584 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)CC1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)C1 2199525614 RJTMHOFAOUXFME-AWEZNQCLSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCC1 2247814252 PHSWZNRQCISOEJ-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825496 FNKVFDUIKFJXON-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CO1 2247836146 XIRJOMPGVANOPW-CYBMUJFWSA-N 420.275 1.057 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247914653 OIDYOIAAOCPDQI-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCNC(=O)OC(C)(C)C)n1 2247917969 MYFHFDFYXUVHRS-UHFFFAOYSA-N 422.335 1.847 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2255665484 GWFNMMCZYOATSU-QFBILLFUSA-N 424.354 1.970 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](C)CO 2267352282 CRKVFYADZHFBJT-UWVGGRQHSA-N 409.766 1.996 30 10 HDEE CC1(CCNS(=O)(=O)c2ccc(F)cc2B2OC(C)(C)C(C)(C)O2)OCCO1 2267705052 DMDBRTWGHADDBS-UHFFFAOYSA-N 415.292 1.556 30 10 HDEE CNC(=O)C[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322577 OAOXUSYZQSTMPK-SNVBAGLBSA-N 402.347 1.159 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@H]2CCCSC2)n1 2282410985 ZMNQIQAIPKOTLZ-LBPRGKRZSA-N 401.363 1.141 30 10 HDEE C[C@H]1[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282496461 BDBSCVFHWSWPMT-JSGCOSHPSA-N 400.375 1.559 30 10 HDEE COC1(OC)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282847838 FSDITECRHXQCCI-UHFFFAOYSA-N 403.331 1.431 30 10 HDEE C[C@@H](N)[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855307 CAWXBLZTHZVPTP-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE CC(C)(CO)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882108 HGFRMGFWUVQHEA-UHFFFAOYSA-N 403.375 1.875 30 10 HDEE C[C@@H](C#CC(=O)Nc1ncnc2c1nc(Br)n2C)NC(=O)OC(C)(C)C 2341155674 SFJIAZRVPUVXLM-VIFPVBQESA-N 423.271 1.981 30 10 HDEE CN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CS(=O)(=O)C1(C)C 2362503258 OGXUSXMLUKNAQO-LLVKDONJSA-N 400.331 1.090 30 10 HDEE Cc1nc(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)c(Cl)n1C 2364161350 UCBPFLVXQGGAJH-UHFFFAOYSA-N 418.737 1.938 30 10 HDEE CCCN[C@H](C#C[C@H]1CC1(F)F)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2366732906 URWILMCWJCDHLP-RRFJBIMHSA-N 406.495 1.951 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COCC[C@H]1NC(=O)OC(C)(C)C 2367791671 YRDBXPBZTVZFAN-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367800117 GVNMOHUMSOPLKE-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)C[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367815098 DHDLGINSLLQFEX-QCUYGVNKSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 2367822633 WVBBHLZDDFGWRF-LPMFXHHGSA-N 400.541 1.209 30 10 HDEE CCCN[C@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2368322020 WIYCDDOWXNECKJ-ZHCJQAHYSA-N 400.541 1.188 30 10 HDEE CC1(C)OB(c2csc(CN3CC(S(=O)(=O)C(F)(F)F)C3)n2)OC1(C)C 2368840665 TXFCQQUVICBRBX-UHFFFAOYSA-N 412.264 1.561 30 10 HDEE C=C1[C@@H]2CC[C@@H]3[C@@H](OC(=O)CC)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1C[C@H](O)C2(C)C)C[C@@]3(C)O 4097875 VVXZWGWGAMWPOU-GTPZWBMOSA-N 408.535 1.934 30 10 HDEE biogenic,in-vitro CCC/C(C)=N/Nc1nc(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)n[nH]1 59890254 IOTPGEZYGIVZCL-XDHOZWIPSA-N 421.531 1.521 30 10 HDEE O=C1C(=O)N(CCCN2CCOCC2)[C@@H](c2cccnc2)/C1=C(/O)c1ccncc1 102755941 WKZWWRODKCKGHT-HQMFNGAOSA-N 408.458 1.621 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 108938625 MGCDEXGSILISKG-LBPRGKRZSA-N 411.423 1.795 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 238821964 CVZCUMDQZWIGQR-AWEZNQCLSA-N 403.420 1.797 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(Br)c(F)c1 389243230 LILPLOUKDSFCLD-JTQLQIEISA-N 410.286 1.399 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c1 446961433 YMKHSCJSJISOEX-CQSZACIVSA-N 402.398 1.918 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482363794 POJSVLVUJZWXSJ-GXTWGEPZSA-N 403.508 1.323 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCC[C@H]2COc3ccccc3O2)cc1 482522207 HTYQGDQQOOZXPP-KRWDZBQOSA-N 400.456 1.819 30 10 HDEE COCCc1nnc(-c2cccc(C(=O)N(CCC#N)CCN3CCOCC3)c2)o1 488465542 CCXLIATVYHALGA-UHFFFAOYSA-N 413.478 1.614 30 10 HDEE Cn1ncc2c(N3CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC3)ncnc21 505752931 LODVUNZQLXIHBY-HXUWFJFHSA-N 413.482 1.274 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@H](n2cc(C(=O)OC)nn2)C1 508908017 QPOUQLSQIUMNGZ-YJBOKZPZSA-N 421.461 1.970 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2CCS(C)(=O)=O)cc1 515390989 CVGUACJSYARFJX-INIZCTEOSA-N 414.549 1.580 30 10 HDEE COc1ccc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1CO 535707277 IPWVFPCWQIXIKD-KRWDZBQOSA-N 408.414 1.903 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3ccc(F)cc3)n(C)c2=O)c1 537393135 ATMNZDCSZRZYRQ-UHFFFAOYSA-N 409.442 1.684 30 10 HDEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 549248335 PVGTZBGVIQEJOA-UHFFFAOYSA-N 402.543 1.493 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCOC2)CC1 550059918 YNJBYMXQGRKINK-LJQANCHMSA-N 416.570 1.472 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 557746945 IQJPZFJSNLCRER-IBGZPJMESA-N 407.499 1.817 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC)CC1 576005275 IRBWFCPAIPHUFM-UHFFFAOYSA-N 414.510 1.406 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)c(F)c1 585686052 YXEWFCLFOYOMJE-LJQANCHMSA-N 410.449 1.331 30 10 HDEE Cn1c(NCc2nc(-c3ccc(Br)cc3)n[nH]2)c(C#N)c(=O)n(C)c1=O 608856142 SZSVNTQSYRBDQN-UHFFFAOYSA-N 416.239 1.115 30 10 HDEE C[C@@]1(C#N)CCCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)C1 612095309 LWVUZHNSGFGVDB-KRWDZBQOSA-N 412.537 1.604 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 672355980 SWIBIPXRZXMZMC-SFHVURJKSA-N 422.533 1.944 30 10 HDEE Cc1ccc(C#CCN)cc1NS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 703980727 ZAFLSDRABGZLMF-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(-c3cnn(CC)c3)c2=O)cn1 732562670 HFDRKKNJZWESCJ-UHFFFAOYSA-N 422.514 1.204 30 10 HDEE N#C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CCN1C1CC1 732649129 BIKCNXPUCUUAHJ-SFHVURJKSA-N 402.520 1.286 30 10 HDEE CCn1c(COC(=O)c2ccc(C#N)nc2)nc2cc(S(=O)(=O)N(C)C)ccc21 734600109 XAYCXVOVUCITNR-UHFFFAOYSA-N 413.459 1.930 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cnn(-c2ncccn2)c1 737979012 CYPGSYYDVHJZQY-UHFFFAOYSA-N 411.447 1.120 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O)c1ccc(C#N)cc1 740198357 FGSRQZCNTALYML-IFCGJNOESA-N 413.430 1.816 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnnn2C2CC2)C1=O 742213972 RZLHFOIRBRSBQU-AWEZNQCLSA-N 410.463 1.147 30 10 HDEE COC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCCC2 746036565 ALYISRJQOYCUFK-CYBMUJFWSA-N 416.503 1.551 30 10 HDEE COC(=O)[C@@H](OC(=O)Cc1nn(CCO)c(=O)c2ccccc12)c1ccc(C#N)cc1 750367826 UWCPXRVNOQQQMH-FQEVSTJZSA-N 421.409 1.260 30 10 HDEE Cc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)c1 751660562 YMBNGVVBAURCCW-IAGOWNOFSA-N 404.536 1.783 30 10 HDEE C[C@H](C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752612293 ABOYLCAJBUEZAT-SCLBCKFNSA-N 415.471 1.682 30 10 HDEE CCc1c(C(=O)OCc2cc(C#N)ccc2OC)cnc2c1c(=O)n(C)c(=O)n2C 754349845 DEZXZKQFMGEHFU-UHFFFAOYSA-N 408.414 1.432 30 10 HDEE CC(=NNc1ccc(C(=O)O)cn1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 763369966 ZJICQRWDEVWKIS-UHFFFAOYSA-N 404.448 1.637 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(CCOCC2CCC2)C1=O 764936534 BHOIIHIWTZBYLJ-DVCONVQISA-N 404.536 1.877 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 765987691 YSGCFVVDDMCXEG-KRWDZBQOSA-N 404.835 1.872 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 773571128 CZBQZZKSMIUVST-DOTOQJQBSA-N 400.483 1.652 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC[C@@H]1Cc2ccccc2O1 780175996 LOWKDAABUJBABF-BTYIYWSLSA-N 402.447 1.911 30 10 HDEE C[C@H](OC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C(=O)N(C)CCC#N 780256577 UHVCCTBIJKKKGQ-YWZLYKJASA-N 403.435 1.376 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)CC2)cn1 791187728 ADNGGWCNAUCNGB-ZIFCJYIRSA-N 414.535 1.328 30 10 HDEE CNC(=O)CNC(=S)NN=C1CCN(C(=O)OC(C)(C)C)C[C@H]1C1CCCC1 793014335 ZCQAFGRXIPUWAI-AWEZNQCLSA-N 411.572 2.000 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)C1 794731547 SCRRMPPRXBHHJK-MRXNPFEDSA-N 416.478 1.959 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)n1cnc(C#N)n1 798398907 CZMGYTNWSPLACN-VVDDJIQESA-N 401.452 1.162 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 804832576 PLQBPWQUNGTEDV-UHFFFAOYSA-N 401.444 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C(=O)N(C)CC)c2)n1 808311259 VUUOMSRLDJKDSH-UHFFFAOYSA-N 418.519 1.446 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COc4ccccc4O3)n2C)n1 809867624 PERMCGDBNDLIGF-IBGZPJMESA-N 408.462 1.810 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)c2cnn(CCC#N)c2-c2ccccc2)nn1 811091104 YZRQTLWBDZATNQ-RTBURBONSA-N 422.445 1.999 30 10 HDEE C[C@@H](C#N)CN(CN1C(=O)N[C@@]2(CCCN(C(=O)OC(C)(C)C)C2)C1=O)C1CC1 812285937 DHDOOZBZJXKTHO-VBKZILBWSA-N 405.499 1.889 30 10 HDEE Cc1ncc(S(=O)(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1C#N 813698523 VXJCMPCRPPATTG-LJQANCHMSA-N 413.459 1.398 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3[C@H]3CCCN3C)ccc2c1=O 816750507 NLKBSBHWDHKIFQ-MSOLQXFVSA-N 414.531 1.806 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CCN(C)C[C@H]3c3cnn(C)c3)CC2)c1C#N 849597301 RZJUSGUKLKIFTR-WMZOPIPTSA-N 413.551 1.441 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(Cl)c1 856532483 KUBPAEGKZHFOMF-LSDHHAIUSA-N 404.879 1.751 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)COc3ccc(C#N)cc3OC)C2)n1 856700901 WOHXXXRBBUQGCR-FQEVSTJZSA-N 400.435 1.487 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 919319247 YJYPCDVCCSWKMV-QZTJIDSGSA-N 420.487 1.186 30 10 HDEE N#C[C@]12CN(C(=O)c3cccnc3OCc3ccccc3F)C[C@H]1CS(=O)(=O)C2 1134649683 KDEZQSKHHJLHFQ-MGPUTAFESA-N 415.446 1.810 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1136794718 RZUKGVURPYZDJB-UHFFFAOYSA-N 411.455 1.862 30 10 HDEE Cc1nc2n(n1)C[C@@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1143591599 JXWRAMJDLIJWMM-WZHMAMEKSA-N 414.510 1.804 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 1144027633 PAQHCPZSZVKRFG-ZWKOTPCHSA-N 420.554 1.354 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1165497241 CHJOSHUXKQDDQT-DYESRHJHSA-N 403.479 1.812 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(OCc3ccccc3)cs2)CC1 1175515357 YMYDKBUQOQXWBC-UHFFFAOYSA-N 419.528 1.553 30 10 HDEE N#Cc1ccc(CC(=O)N[C@H](CO)c2ccccc2I)cn1 1180277198 RMQDPDNSRXZVKJ-OAHLLOKOSA-N 407.211 1.950 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2CC(F)(F)F)c1 1194583205 ICBKREGDGRSPPN-AWEZNQCLSA-N 405.442 1.907 30 10 HDEE C#C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1195567594 NHBRIDNNIKWHSV-IAGOWNOFSA-N 405.520 1.380 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC1CCN(c2ccc(S(=O)(=O)CC)cc2)CC1 1221515449 KOJDQOGXVXVCDL-QGZVFWFLSA-N 407.536 1.523 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCN(c3ccnc(F)c3)CC2)C1 1225935866 BJBLAWPYMITRNJ-GOEBONIOSA-N 418.473 1.811 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C3CN(C(=O)OC(C)(C)C)C3)CC2)C1 1248681308 FCYYRDCRGCDORL-QGZVFWFLSA-N 405.543 1.031 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCN(CC)CC1 1286376191 HGVQKZXOCYBEOA-WIYYLYMNSA-N 424.549 1.886 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286385730 OOUUQFRVROUECU-DOTOQJQBSA-N 418.519 1.689 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1286389703 OVHRVHTWXPQDLQ-SFHVURJKSA-N 422.514 1.719 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NCC 1286449770 GMUKVCOEKVZIAP-UHFFFAOYSA-N 416.551 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Oc2cccc(C)c2)CC1 1286479084 JYWUJMOQIHSKRB-ICSRJNTNSA-N 422.533 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCOC)CC1 1286492127 CMXANPOGANBOFW-SFHVURJKSA-N 403.527 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](C(F)(F)F)C1 1286786551 GRSHBRMMYRJLBE-AWEZNQCLSA-N 410.400 1.718 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291004184 CFUXLQIUUNDGHF-MYDZZUQKSA-N 424.509 1.687 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCN(CC#N)CC1 1293420269 KDHVZKUQSNYVHU-LJQANCHMSA-N 402.495 1.670 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@H](C(=O)C3CC3)C2)C1 1297345760 KAVDNQGIMQZYMY-KRWDZBQOSA-N 418.291 1.963 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCC(=O)NCc1ccccc1 1300574783 KKLHLYQDYXBEEV-UHFFFAOYSA-N 413.485 1.905 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(O)(C(F)(F)F)CC1 1300731094 BKOBDMUZDPZDGQ-UHFFFAOYSA-N 419.473 1.676 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1300754919 YKKZKAPIWUXKNI-IEBWSBKVSA-N 412.563 1.863 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1300949033 NKXLFYQWRRFOLT-GOSISDBHSA-N 412.542 1.478 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCOC2)CC1 1301092233 SPOPTLRYDLNQRA-IBGZPJMESA-N 403.508 1.577 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C(=O)NC)C1 1301163612 KSPXTZWRVMPKEX-ULQDDVLXSA-N 421.542 1.556 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CC[C@H](N2CCCCC2)C1 1301506184 HNCNDPQHADCMRP-IBGZPJMESA-N 409.538 1.631 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1301539528 SDSLPMVUDAOHOW-HIFRSBDPSA-N 420.495 1.183 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1301551047 NPVSOOZHQXYKGI-QFIPXVFZSA-N 400.523 1.396 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301596030 FRTTXDGSRUMBEU-LSDHHAIUSA-N 406.556 1.583 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC2(O)CCCC2)cc1 1302993186 ACRYHPNQIRCTEE-QGZVFWFLSA-N 424.505 1.736 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCCCCO)cc1 1302993864 GZFYOSJNUXGLPG-QFIPXVFZSA-N 424.505 1.750 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCC[C@H]1CO 1303367282 OGTSYIDZFIZZAQ-OXJNMPFZSA-N 421.521 1.095 30 10 HDEE Cc1nc(CCn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cs1 1304678672 FGEOUQBXXOIRDK-CYBMUJFWSA-N 409.523 1.971 30 10 HDEE CC(C)[C@H]1C[C@@H](N2CCCC2)CN1C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1305222587 HIIJTBYQASYUNP-ILZDJORESA-N 418.563 1.946 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1309773825 KAWJSLQEHJDWHG-UHFFFAOYSA-N 414.574 1.601 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312470923 QFICGBCREMUHNJ-FMKPAKJESA-N 404.471 1.262 30 10 HDEE CN(CCC(F)F)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1314827191 HUGPZZXJWHNQTM-UHFFFAOYSA-N 403.397 1.392 30 10 HDEE COC[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315780985 NWVOMDDPHDGQCB-MLGOLLRUSA-N 411.466 1.047 30 10 HDEE COC(=O)CC(C)(C)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1322882656 FSXLYNHOIAHGHC-OAHLLOKOSA-N 400.435 1.563 30 10 HDEE C=CCO[C@@H]1CCN(Cn2c(=O)n(CC)c3ccc(S(=O)(=O)N(C)C)cc32)C1 1325205698 DUTNNYJSLRTKPN-OAHLLOKOSA-N 408.524 1.308 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 1356278166 PHCXSVZIPIUCHX-PKXJPQMGSA-N 404.430 1.430 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C2OCCO2)c1 1358967630 OLUSJKRDKWBZBR-UHFFFAOYSA-N 419.485 1.681 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1358968457 MKEYKBVKZJGQLZ-OAHLLOKOSA-N 402.499 1.402 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1359010119 HBXKDVSGQLFJCJ-SFHVURJKSA-N 411.462 1.109 30 10 HDEE C#CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1359062045 URCDGHPHEGMTPU-WOJBJXKFSA-N 419.551 1.156 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1359134890 KRRPLQYAJQHORT-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1359241888 HHLQANGPBODILA-UHFFFAOYSA-N 408.499 1.570 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N(CC)CC)CC1 1359292556 SAQWWJAJPQHQIJ-INIZCTEOSA-N 405.547 1.678 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1359301262 VQTBPTVTYOCGJV-JKSUJKDBSA-N 415.498 1.235 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1359301551 BHJMSPSMTAJMKN-NRFANRHFSA-N 412.469 1.169 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@H](C)O[C@@H](C)C1 1359305101 STSSMARGECXYQK-GJZGRUSLSA-N 403.458 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359330296 NMRJWEJIJQDRKF-QAPCUYQASA-N 417.535 1.945 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)COc2cccc(C#N)c2)C1=O 1438740998 ODFTUYKFMNJXDA-KRWDZBQOSA-N 401.463 1.776 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OCC 1438911955 OZPZMUGLYHFQSV-LSDHHAIUSA-N 411.499 1.468 30 10 HDEE Cn1c(=O)c2c(ncn2CCC(=O)N2CCC(c3ccc(C#N)cc3)CC2)n(C)c1=O 1439704955 BHYIOWRMMPPFOF-UHFFFAOYSA-N 420.473 1.102 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cc3n(n2)CCC[C@H]3O)cc1 1441667832 QVTKOAKDGTVUIV-SFAXUQRRSA-N 417.491 1.775 30 10 HDEE N#C[C@H](NC(=O)c1nc(S(N)(=O)=O)c2ccccn12)c1cccc(C(F)(F)F)c1 1443536394 VGCKGCCRLVCRMB-LBPRGKRZSA-N 423.376 1.995 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1447927653 JVCPNTJTXCTSAF-GJZGRUSLSA-N 417.466 1.211 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)n1 1448853633 CKEPOHSYZIQFCC-UHFFFAOYSA-N 420.510 1.157 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(c4ccncn4)CC3)C2=O)cc1 1451388463 QNRWXQOBYBBHNF-LJQANCHMSA-N 418.457 1.959 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1452856844 HRSYCHPXGHBXRZ-KRWDZBQOSA-N 418.540 1.999 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OC 1455840080 QHJBKVQBJJWXRD-CYBMUJFWSA-N 419.297 1.724 30 10 HDEE Cc1ncc(I)c(N2CCN(c3nccnc3C#N)C[C@H]2C)n1 1458252754 KAUOOMZYTVREKR-SNVBAGLBSA-N 421.246 1.766 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C(C)(C)C1 1464923342 IDKUGVYPRQICSF-SXXBIRCQSA-N 406.483 1.522 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 1467451133 GJKGQSQOSBDRJK-IIBYNOLFSA-N 407.511 1.437 30 10 HDEE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@H]1CCCN(O)C1=O 1468454496 VZJITSDPKFOGSK-OLZOCXBDSA-N 400.522 1.847 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Nc3nc(C)cs3)cc2)CC1 1471451203 PULDVDJDDWPEPD-UHFFFAOYSA-N 419.532 1.421 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1cn(C)c(C)n1)[C@H]1CCCc2ccccc21 1472070426 AYAIGOSAWKHYGC-SFHVURJKSA-N 400.504 1.546 30 10 HDEE COC1(OC)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1O 1473751588 KLVXXCUEPDNZPK-INIZCTEOSA-N 400.397 1.229 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)C(C)C 1476309163 ODQAJFNTBGJIIE-MRXNPFEDSA-N 408.524 1.553 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)nn1 1478855624 SKGHIYWUWMYKBN-UHFFFAOYSA-N 423.521 1.271 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)CCOC1 1502689143 WCNMLLPQWCXWQQ-PMACEKPBSA-N 407.515 1.459 30 10 HDEE COCC[C@@](C)(O)Cn1c(C)nnc1N1CCN(c2oc(C3CC3)nc2C#N)CC1 1504750395 GAMKAPFPAPGODS-HXUWFJFHSA-N 415.498 1.438 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1504998607 JZNLASSUPFKPRH-LSDHHAIUSA-N 408.503 1.036 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1507626376 ACZHOEKUKFNQLF-QGZVFWFLSA-N 419.551 1.727 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507836606 RSHWLNIMZKTBSJ-YTQUADARSA-N 402.543 1.695 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1508158392 GEOJHRQPBBUMEP-UHFFFAOYSA-N 404.584 1.819 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)C1 1509430945 CKYJOKOMKASNIV-ROUUACIJSA-N 417.558 1.467 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1509963856 HHFBWJMXZKIFHF-FPTDNZKUSA-N 421.505 1.528 30 10 HDEE Cc1nnc(N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(C#N)o1 1511885959 LNWRIFOTQBMKCG-OAHLLOKOSA-N 411.510 1.669 30 10 HDEE CCOCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1516746258 RVYKFGZNSIXNSP-UHFFFAOYSA-N 400.531 1.753 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccncc2)CC1=O 1517417590 GGCHAPXOVGFIGD-UHFFFAOYSA-N 417.473 1.645 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1518444795 KXCOWRXMUYMLQX-SJORKVTESA-N 413.478 1.878 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1521090113 PUDJVNRKYVFWJP-IEBWSBKVSA-N 424.505 1.714 30 10 HDEE N#Cc1cccc(NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c1Br 1525920658 JBOKRSTZYVTSHT-GBOPCIDUSA-N 418.247 1.812 30 10 HDEE C#CC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1 1530079030 CMHSTAFISOPWAE-INIZCTEOSA-N 405.476 1.867 30 10 HDEE NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1536952438 DBVAPBGHFIWQKB-FKSUSPILSA-N 410.261 1.649 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1539001859 LEBSSCMDTGIHLR-OAHLLOKOSA-N 422.493 1.448 30 10 HDEE C#CCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539140477 OJSUCKUHVASRIT-PGRDOPGGSA-N 415.538 1.933 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1539288487 HHVPVAQURGKZCJ-SFHVURJKSA-N 400.866 1.999 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CCC(C)CC2)CC1 1539446207 USZLWDWVACIJLF-LJQANCHMSA-N 408.554 1.611 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(C)(C)O)CC1 1539452145 MBAGHKSGQAGZNQ-IBGZPJMESA-N 411.506 1.707 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C\CC 1539557299 PSTUGXYSVRQPMZ-ZUZVGCLLSA-N 407.540 1.569 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1)C1CC1 1540107626 BYBKCRPMLCCQNJ-JKSUJKDBSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC)Cc1ccc(OC)cc1 1540869435 MVCMPAUBVCZPQY-QGZVFWFLSA-N 412.494 1.567 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CC1 1541006105 BEYCAEOWZUPHOD-KRWDZBQOSA-N 410.526 1.166 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@H](C(=O)OC(C)(C)C)C1 1544786421 NPYQMHSCMJJUOO-KRWDZBQOSA-N 414.462 1.878 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2c(I)n[nH]c2C)c1 1544811397 CHDUHUDAMSWGKD-UHFFFAOYSA-N 408.199 1.673 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)C#N)c1 1554500954 JGXDTOPTELRLHM-RHSMWYFYSA-N 418.523 1.682 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCCN2CCOCC2)CCO1 1555993709 BCIKCNMGGCIRSU-LJQANCHMSA-N 411.510 1.105 30 10 HDEE C=C[C@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1557342180 PUCQAZAFNFGILQ-INIZCTEOSA-N 409.508 1.230 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](c1cccc(C#N)c1)C(F)(F)F 1558062141 JINWWSZKQUODCZ-OAHLLOKOSA-N 407.414 1.622 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCc4c(cccc4S(N)(=O)=O)C3)CC2=O)cc1 1558075774 GCDSTAGGXZRWNN-INIZCTEOSA-N 424.482 1.143 30 10 HDEE C=CC[C@H]1CCN1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1560206953 HAHSCJHUNGMPBA-HNNXBMFYSA-N 413.927 1.950 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cnc(O)nc2N)CC1 1567670667 ATTQVQPYUUAAEU-CQSZACIVSA-N 420.514 1.663 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)C1 1570694706 HJUPKQFUIFELFB-ZDUSSCGKSA-N 401.160 1.690 30 10 HDEE C[C@H]1NC(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)=NN(c2ccccc2)C1=O 1570830938 GYRPMHUKRGBNLS-UZLBHIALSA-N 416.485 1.934 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1cccc(S(=O)(=O)N3CCOCC3)c1)C2 1583062150 ZMDBBKFHSSMNMN-LJQANCHMSA-N 411.483 1.476 30 10 HDEE CN1CCC(CNC(=O)C(C)(C)c2cc(F)cc(C#N)c2)(N2CCOCC2)CC1 1583855790 BUZDFOPKQKYZMP-UHFFFAOYSA-N 402.514 1.888 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1587883862 NMZJKWHZLJKJRJ-SFHVURJKSA-N 408.462 1.093 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@H]1COCCO1 1588166245 BBXALVOEGDRMKZ-SFHVURJKSA-N 410.474 1.744 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1589027154 LIKNXCDHCBOBGK-IYBDPMFKSA-N 424.534 1.901 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1594761109 VAKSUKBDWOQNTJ-GJZGRUSLSA-N 414.535 1.951 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(C)(=O)=O 1595302893 GGJXNKZQZRZMLX-QGZVFWFLSA-N 422.507 1.474 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1595544418 HVDLOUJWDONOBR-SJORKVTESA-N 412.494 1.875 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)O)C1 1595701121 WHWUQDTXFGAAEL-QGZVFWFLSA-N 410.482 1.473 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)on2)C1 1595722524 KRFMCVZWLWREHU-HOCLYGCPSA-N 407.496 1.306 30 10 HDEE CC[C@@H]1C(=O)NCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1597217720 ZTENAJTXGVKCJF-OAHLLOKOSA-N 405.296 1.884 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)C1CCC1 1612599471 JBUPAZKBQCGQAH-UHFFFAOYSA-N 408.510 1.486 30 10 HDEE CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1613170771 OQZIDXCIDTVYQP-STGLLQLASA-N 412.498 1.688 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)OCCOC)n1Cc1ccc(C#N)o1 1614068188 YVQQPPQFBPXBRK-CZUORRHYSA-N 402.455 1.230 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)CC1 1615957187 GGXPVQLHISDBNR-QGZVFWFLSA-N 415.473 1.653 30 10 HDEE COC[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1619575642 BPIRXKIAKIUQJO-RHSMWYFYSA-N 403.508 1.723 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1)C1CCOCC1 1622379868 LKJCKZDJWSNCCV-KRWDZBQOSA-N 400.522 1.082 30 10 HDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H](CNC(=O)OC(C)(C)C)C1CC1 1625694104 YEHGZHGFJDSKMG-MGPWXQLLSA-N 406.483 1.665 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N[C@@]3(C#N)CCSC3)cnn2c1 1626566698 HHEXAEVXZAKLDW-LJQANCHMSA-N 416.507 1.926 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 1627485275 JMTXCCYUXQOKPP-IBGZPJMESA-N 417.531 1.038 30 10 HDEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OCC 1627752235 NFGDKGDFXNEATD-HNNXBMFYSA-N 416.521 1.731 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@](C)(O)Cn1cc(C(F)(F)F)ccc1=O 1632228978 XHOMPEHRRNNBMN-GOSISDBHSA-N 416.396 1.422 30 10 HDEE COC(=O)c1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1632925879 XRSLXKBTXMFOJF-UHFFFAOYSA-N 417.443 1.636 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1634303258 ZTLWADNCKLVHJH-ROUUACIJSA-N 424.563 1.570 30 10 HDEE C#C[C@@H](C)NC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1634747837 DYUOAAYNJVOHCZ-JLTOFOAXSA-N 405.454 1.907 30 10 HDEE C=CC[C@]1(C(=O)NCC2(S(N)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 1634941404 YDDKFAYSBMUUID-GOSISDBHSA-N 401.529 1.660 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1ccnc(C#N)c1 1635744961 JPZREVNUOUKANO-QGZVFWFLSA-N 404.517 1.670 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)n[nH]2)c1C 1636316544 HOBBJBUXBOEAAN-OAHLLOKOSA-N 412.494 1.179 30 10 HDEE COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)cc1 1636353572 DOTUQNHAXATHDL-HNNXBMFYSA-N 411.510 1.973 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(OC)c(F)c1 1636438322 YCUYPMHCDISDPH-WBVHZDCISA-N 417.485 1.121 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638339836 CXYOKFFQFGUKHU-CVEARBPZSA-N 413.540 1.608 30 10 HDEE COCc1ccc([C@H]2COCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)o1 1639082120 BRHZFEAVYSFFSA-QGZVFWFLSA-N 419.459 1.176 30 10 HDEE Cn1c(=O)[nH]c(NCCOc2ccc(I)cc2)c(C#N)c1=O 1639831343 TWMKRUSFKMUNJY-UHFFFAOYSA-N 412.187 1.041 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1640208848 XDDUTAYBUHWVTD-BWRBCVJASA-N 416.540 1.973 30 10 HDEE C#CCC1(O)CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 1643513108 SLMXZHUYCNOFOZ-UHFFFAOYSA-N 421.291 1.941 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)C1 1643878084 MZMQJKDOVKPOAV-XOBRGWDASA-N 422.482 1.884 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccnn1C1CCOCC1 1648483634 NAJLTYNJOSUYTH-CYBMUJFWSA-N 403.464 1.412 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@H](c2cnn(C)c2)C1 1648939841 BIDDLDLIBJOXFY-UXHICEINSA-N 410.497 1.815 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)(F)F 1650765820 KPHLMEIYJFVCNU-PHIZWAGYSA-N 423.413 1.246 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)cc1Br 1650788079 HZYCBCVMMWYTBF-ZBFHGGJFSA-N 408.252 1.206 30 10 HDEE C#CCN(Cc1cn(CC(N)=O)nn1)[C@H]1CCOc2ccc(Br)cc21 1658568956 LJNSYUGHMSVGLB-HNNXBMFYSA-N 404.268 1.485 30 10 HDEE C[C@H](O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CCO1 1658970000 IDOSGZHKFBHONA-TWOQFEAHSA-N 416.522 1.438 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](C(N)=O)c2ccc(F)cc2)ccc1Br 1663257593 HNEFJQYMRREJFC-AWEZNQCLSA-N 412.240 1.965 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1663696987 IWOKCSNYCZWPTC-UHFFFAOYSA-N 407.286 1.426 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1665499214 GBJLLILYNKTIDE-LBPRGKRZSA-N 410.439 1.561 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C1CCN(C)CC1 1668326303 ZWMNNVVVGWACIM-MRXNPFEDSA-N 406.552 1.737 30 10 HDEE C=CCSCCNC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1671572871 SMAFRHZRHHYPTP-KGLIPLIRSA-N 419.569 1.334 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)C1 1673912950 KYSAMAQQEIEIFB-SJORKVTESA-N 404.486 1.136 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1C#N 1674772766 HFIGDHJMGSNKHM-DOTOQJQBSA-N 414.510 1.806 30 10 HDEE C#CCN(C(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCN(C)CC1 1678423620 YCOSOGAKAIBQMA-UHFFFAOYSA-N 413.570 1.118 30 10 HDEE CO[C@H](c1ccc(F)cc1)[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1679501307 BIKVMVJFLLCKKF-ZBEGNZNMSA-N 401.398 1.302 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C1CCOCC1 1682887249 JLRANMCIFTWAPZ-SFHVURJKSA-N 417.506 1.972 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)C2)nc1 1687789515 CVSANQPPSIQYEV-HOTGVXAUSA-N 408.466 1.314 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCCN(C)C)c1 1690011861 GRELZFHFVPQFFD-UHFFFAOYSA-N 417.517 1.740 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1690019650 NYCJGTIXCQQECP-SQNIBIBYSA-N 419.551 1.120 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)CC1 1690119673 NYXQUBKNHJYBPB-UHFFFAOYSA-N 404.503 1.780 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1690152693 UYOANTJNBCEQEY-SJLPKXTDSA-N 403.527 1.332 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690309851 MBHBFGCAABINEV-HZPDHXFCSA-N 420.514 1.537 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC[C@@H]1C 1690659615 YGHLSNUZAMEVQI-ZDUSSCGKSA-N 401.496 1.169 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)C[C@H](C)C#N 1696496462 AXGUOCHHBFFQBT-CQSZACIVSA-N 405.528 1.574 30 10 HDEE CN(C)c1ccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)cn1 1696608998 CNXIUQAJSFHRTQ-GOSISDBHSA-N 404.478 1.502 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)COCCO1 1698239026 SMEKMNQGBGEVCD-ABSDTBQOSA-N 405.499 1.548 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1698299771 IDOQFLCWUVHLRG-WMLDXEAASA-N 411.503 1.581 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705532998 SYLVTHYQEFHYSD-ZWKOTPCHSA-N 416.551 1.940 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1705572885 RVERAQONCVGYKX-NRFANRHFSA-N 423.546 1.436 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1705640505 URIIHMSPMWYBCR-FQEVSTJZSA-N 416.614 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(OCCOC)cc2)CC1 1705645496 VSPOTUIYROWZPO-UHFFFAOYSA-N 411.506 1.626 30 10 HDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705817136 DFPKDBCSOPFXCY-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(NC(=O)OC(C)(C)C)CC1 1705908978 YWKZMYREHPDKNR-UHFFFAOYSA-N 422.530 1.610 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOC2(CCC2)C1 1705936989 FAWMFNODDFHQRG-UHFFFAOYSA-N 417.535 1.624 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccn2)CCOC1 1706679239 IXOPXUDSTWXVLW-NQIIRXRSSA-N 412.494 1.685 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1722360699 IVBMFIYWMGULHQ-INIZCTEOSA-N 417.560 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOCc1ccc(OC)cc1 1722370423 KKIPWXXALVWXCU-UHFFFAOYSA-N 421.501 1.812 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCS(=O)(=O)NC 1722406020 JSPTVWHKHDDYMU-UHFFFAOYSA-N 413.507 1.344 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 1722425439 YSWVFVBBGQHNLU-GOSISDBHSA-N 415.542 1.266 30 10 HDEE C=C(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2C[C@H]1CO2)c1ccccc1 1722538993 CMXJGEVGWDBVRU-NJAFHUGGSA-N 417.535 1.969 30 10 HDEE C=C1CCN(c2nnc(-c3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1722562051 JUPBMTUVJJUBHU-IBGZPJMESA-N 406.483 1.790 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1722672345 OIOKUYWZZSOSRU-MRXNPFEDSA-N 409.556 1.980 30 10 HDEE Cc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)sc1C 1724087752 DDZOBFJXDREYAN-SUMWQHHRSA-N 424.527 1.744 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(=O)C(C)C)n1 1726058849 PNRDCNZOGLBIQY-FQEVSTJZSA-N 416.505 1.744 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1730723279 AWZUXGGGUPPUMZ-UHFFFAOYSA-N 415.494 1.743 30 10 HDEE C#CCOCCC(=O)N1CCC(C(C)(C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1740151913 FIGNMJDWUNYMLO-IYWGDAJJSA-N 402.535 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1740547492 VZVWXISZBVEXEB-HNNXBMFYSA-N 416.489 1.915 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1740608449 BFLRCDUMCOKRNJ-SJLPKXTDSA-N 419.526 1.692 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740782150 FBYIEVLSZDOVCI-MOPGFXCFSA-N 416.570 1.881 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740947779 FCUJRDXOKFIOPR-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740954669 DMKPZPMKJJLPAZ-AEFFLSMTSA-N 419.489 1.081 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)O[C@@H](CC)C1 1740955400 TVZYCDBLGZBMFS-HOCLYGCPSA-N 413.478 1.980 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCS(=O)CC1 1740969439 OYLWCNUDEPXJDY-KRWDZBQOSA-N 402.520 1.964 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@](C)(O)CC)C1 1740975166 MQNBRLUGDLKCKL-WIYYLYMNSA-N 424.509 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCN(C(C)=O)CC1 1740989632 SZTBYLXGYHMBCM-UHFFFAOYSA-N 417.535 1.523 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1741003549 XBJQZWWAECXSFZ-HNNXBMFYSA-N 416.551 1.748 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1741004121 PKDVDNACVKANRL-UHFFFAOYSA-N 420.583 1.323 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1741123590 GVUCYMDUKZWHSM-MRXNPFEDSA-N 403.531 1.221 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1741129830 HYLVSWILXYPCBJ-MGPQQGTHSA-N 413.448 1.709 30 10 HDEE CC(C)COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1741591766 FAOHXBXVHPAAEX-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1742309018 GRWKHSSFXRKMPD-OAHLLOKOSA-N 418.523 1.327 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)[C@H]1C 1743142766 GCEAGPQZHDJABR-GJZGRUSLSA-N 402.524 1.991 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2Cc2ccc(C#N)o2)cc1 1744349053 PBHAMPYHHYXNRI-LJQANCHMSA-N 420.473 1.972 30 10 HDEE CCOC[C@@H]1CCCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747268495 RVRYXNOWSGBZES-AMGRQBIBSA-N 402.499 1.620 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747796389 WSYXEEGOUCGAQY-DXQAYGFFSA-N 412.450 1.538 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 1748818269 YKZVOKSVAXMRTA-GJZGRUSLSA-N 414.478 1.454 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccccn2)CC1 1748978805 OVTCMTHUTHCHQO-QHCPKHFHSA-N 424.549 1.712 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnccc1OC 1749053708 KLRHXYOCLMFILX-AUUYWEPGSA-N 418.523 1.332 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)CC(=O)N2CCOCC2)nnc1C(C)(C)C 1749140052 LFASADUHNMFEDX-AEFFLSMTSA-N 405.543 1.852 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1749210816 OZPCLGDKNZCTOI-UHFFFAOYSA-N 418.542 1.411 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1749658207 HXUIEQYZVNWGSJ-OALUTQOASA-N 406.490 1.982 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1750380207 MBAFMKPUZKJUCO-UFBFGSQYSA-N 407.194 1.659 30 10 HDEE N#CC1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750385624 UBCYYZSODWRJRJ-ZZEZOPTASA-N 418.461 1.606 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1750883066 DTSHZGRHOGJDIV-MRXNPFEDSA-N 408.514 1.999 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC(F)(F)CO2)C1 1751282739 PQMUZNSEMHMDDZ-HNAYVOBHSA-N 416.432 1.943 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1760141048 IBXZNOVWVMYFII-UHFFFAOYSA-N 412.538 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC[C@@H]1COCCO1 1760166294 YIMMLPLMRWOJNN-CQSZACIVSA-N 408.300 1.921 30 10 HDEE C#CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1760180982 NWGOTHLNDAWABM-XLIONFOSSA-N 424.567 1.601 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1760206104 QYPHPWUHVRCQRA-GJZGRUSLSA-N 403.533 1.513 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1([S@@](C)=O)CCC1 1760250778 PPGWMZDAMKNXJO-MUUNZHRXSA-N 401.536 1.651 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760284255 JPWGZPYJELRETG-INIZCTEOSA-N 405.549 1.254 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760284531 OHYVHAIMDPGVNC-LJQANCHMSA-N 423.546 1.942 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)CCS(C)(=O)=O 1760319502 OALLQFTUNCKZKE-NVXWUHKLSA-N 405.524 1.802 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1760522426 SUFJZJJWYLAGBK-IERDGZPVSA-N 405.543 1.943 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1760552956 HCZFZLNDZPLVBG-MRXNPFEDSA-N 419.551 1.673 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCN1CCC[C@H]1CO 1760934283 ZOCDUQMPXPAATD-PMACEKPBSA-N 415.586 1.815 30 10 HDEE CCC(CC)[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1)OC 1762154433 CEJBJACEEPTVBM-ZWKOTPCHSA-N 418.542 1.971 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1769984363 HZYKNNKEBUZDJA-KGLIPLIRSA-N 403.439 1.514 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CCC1 1770361250 FZDXILNVRWIRCV-GDLZYMKVSA-N 418.567 1.945 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCOCC(F)F)cc1 1770732704 IHWZPNIPWHCXFM-FQEVSTJZSA-N 416.432 1.815 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCCO2)CC1 1770741090 WBXPNKGKCCSAFL-GOSISDBHSA-N 416.526 1.840 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CCO1 1770751277 DYCRIHJJWQIIEH-LSDHHAIUSA-N 414.432 1.222 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1771223627 XOYREHXYUFIOPL-MJGOQNOKSA-N 420.558 1.995 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C[C@H]1OC 1771338465 AQHOACBHDAODKG-UEXGIBASSA-N 413.478 1.472 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@H]3CCCO3)n1CCOCCCO)C2 1771532323 WRBIECDOZJUPAV-QGZVFWFLSA-N 414.466 1.064 30 10 HDEE O=C(CC1(CC(=O)N2CCOCC2)CCCC1)ON1C(=O)c2ccccc2C1=O 1772790015 NOPVITRWEZSQNS-UHFFFAOYSA-N 400.431 1.940 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCc3cncc(I)c32)CC1=O 1849332247 DUFUVUVQLDHBJW-LBPRGKRZSA-N 411.243 2.000 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CN(S(C)(=O)=O)C3)ccc21 1850104351 XVTMVZMDXWCTCS-UHFFFAOYSA-N 407.492 1.454 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)OC[C@H]2CNC(=O)CO2)CC1 1851008406 ATMCLOAIZZINEL-MRXNPFEDSA-N 412.421 1.520 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC#CCN2CCc3ccccc3C2)c1 1851664401 ZCHLLBMEGMEISO-UHFFFAOYSA-N 411.527 1.728 30 10 HDEE CCCn1c(C(=O)N2C(=O)Cc3ccc(C#N)cc32)cc2c(=O)n(C)c(=O)n(C)c21 1852659560 ANNYMOVTYFTRTJ-UHFFFAOYSA-N 405.414 1.050 30 10 HDEE CN1C[C@H](CN2CCC([C@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)CC1=O 1853848954 KOZZKABMJLKNQI-XLIONFOSSA-N 408.502 1.737 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)c1 1853895711 SFHXLNJQLONOQJ-UHFFFAOYSA-N 419.409 1.651 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2noc3c2CCCC3)C1=O 1854101722 XVJXPZABZKOBBM-IRXDYDNUSA-N 414.506 1.793 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(C)c(F)c2)C1=O 1854179234 NWMFHLWZBINBOC-RTBURBONSA-N 401.482 1.913 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2nccc3ccccc23)C(=O)C12CCCC2 1854400712 BZHBAXJVOGPIDZ-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(F)cc2Cl)CCN1S(=O)(=O)CC#N 1854641377 DDUIJEYFALWBMQ-LLVKDONJSA-N 401.847 1.324 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1855069059 KFXZZHQEUPPIAJ-DYESRHJHSA-N 400.454 1.121 30 10 HDEE C=C1CCCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(N4CCOCC4)nn3)C2)CC1 1855204476 GEUMUZAVUXTHDL-GOSISDBHSA-N 413.522 1.734 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCCc4nccc(OC)c43)CC2=O)CC1=O 1855686543 SIQPNGVAQRDUQJ-JKSUJKDBSA-N 412.490 1.252 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855869910 JOFCQPKAAMEDLQ-HNNXBMFYSA-N 407.467 1.210 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)COc3cncc(Cl)n3)C(=O)C2)cc1 1856279861 UATXVGCHMZRGHO-UHFFFAOYSA-N 415.837 1.130 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)c3nccnc3N3CCCCC3)C1=O)CC2 1856530987 COBOHZMYFJOEKC-DLBZAZTESA-N 408.506 1.834 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(c4cncn4C)CC3)CC2=O)CC1=O 1856818677 BBDLMWYKEKNGTA-WMZOPIPTSA-N 413.522 1.009 30 10 HDEE N#Cc1cc(C(=O)N2CCN(CCN3CCCC3=O)C3(CCCCC3)C2=O)ccn1 1856856384 BZDKZJMHRRELJM-UHFFFAOYSA-N 409.490 1.563 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(Cc4ccccn4)CC3)C2=O)CC1=O 1856878168 FZXSJGOABYQLIZ-UYAOXDASSA-N 410.518 1.498 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccccc1F 1856986522 KFZJLBFBNYKPTG-CYBMUJFWSA-N 401.419 1.759 30 10 HDEE Cc1ccnc(C)c1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857037313 YTIQHTOYCMGDFS-MRXNPFEDSA-N 404.492 1.253 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857119813 IOCNBWRLDLHALC-INIZCTEOSA-N 409.446 1.644 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857276970 LSZNRQKGGVQEOK-MAUKXSAKSA-N 403.454 1.298 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1=O)n1nc(C2CC2)ccc1=O 1857374814 OCSUIYGVRLUACM-OAHLLOKOSA-N 405.458 1.424 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3cccc3)C2)CC1 1857380894 IYZGMKWLAPMHRS-GOSISDBHSA-N 406.490 1.342 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1866634540 ZBNQQBLMRSGXJO-CQSZACIVSA-N 414.487 1.874 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2cccc(Cl)c2)CC1 1870666596 TZTCNIHDLTXNES-UHFFFAOYSA-N 416.909 1.874 30 10 HDEE CC(C)c1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874512918 WWJLSEGSSFCZRQ-CNHKJKLMSA-N 406.424 1.541 30 10 HDEE CCB1O[C@@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC(=O)OC(C)(C)C)ncnc43)[C@@H]2O1 1887551684 NWWJIUDTFMNCBO-SDBHATRESA-N 405.220 1.355 30 10 HDEE C=CCN(CC(=O)N(C)Cc1c(Br)nnn1C)C(=O)OC(C)(C)C 2010385734 OXNIPIRLJAZCKA-UHFFFAOYSA-N 402.293 1.959 30 10 HDEE C=C(CNS(=O)(=O)c1cc(Br)nn1C)B1OC(C)(C)C(C)(C)O1 2020862732 XKHGMSQSKDETOB-UHFFFAOYSA-N 406.111 1.649 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(Br)cc1C#N 2124719939 QKPOYBLSXKHCKJ-CYBMUJFWSA-N 423.267 1.995 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1(C)C 2174779017 DRQNKOHZAIECAE-LSDHHAIUSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CCO1 2176034566 HWGHLXAMQAQCSD-CABCVRRESA-N 402.517 1.082 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)O 2195290793 GQJWGOPZEVNWHP-CEXHIMGSSA-N 402.513 1.411 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@]1(C)COCCN(C(=O)OC(C)(C)C)C1 2199844858 WFDOGVPTANBJMZ-MAUKXSAKSA-N 403.545 1.975 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NC2(CO)CN(C(=O)OC(C)(C)C)C2)C1 2243258416 OLNIYIXNXWAMLD-UHFFFAOYSA-N 423.510 1.391 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247830095 XTGOTKFUYYPKSI-STQMWFEESA-N 418.303 1.543 30 10 HDEE C[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2247836075 WFGRZSFHDVJUBV-CYBMUJFWSA-N 420.319 1.809 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247918056 IADMIPHYMRAOKA-ZDUSSCGKSA-N 420.319 1.666 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2279246188 XDYXTMODEHTXMG-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](OCCO)C3)sc2Cl)OC1(C)C 2281974865 YYBSBGVOAOQBCT-LLVKDONJSA-N 401.721 1.924 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H](C3OCCO3)C2)n1 2282040006 CUAVYBYFPUXAMY-OAHLLOKOSA-N 402.300 1.914 30 10 HDEE C#C[C@@]1(O)CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282305189 VHHTWQDFLSAUFE-MRXNPFEDSA-N 417.745 1.459 30 10 HDEE COC(OC)[C@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282353883 YXBXBVUPNGLBHZ-NSHDSACASA-N 405.347 1.675 30 10 HDEE C[C@@H](N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2282500103 IASHNDCQUHDOJW-LLVKDONJSA-N 404.363 1.363 30 10 HDEE C[C@H]1CO[C@H](C)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501034 REYXWUQJNUTZNC-QWHCGFSZSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@]2(C)CO)OC1(C)C 2282509568 MCOMCWBHKRVTMU-KRWDZBQOSA-N 401.359 1.724 30 10 HDEE C[C@@H]1COCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282833358 HGHBJVYDVQSTFH-LBPRGKRZSA-N 402.347 1.240 30 10 HDEE CO[C@H]1C[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282845053 MMPGTFNFHWPYRO-MQMHXKEQSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N(CCN)CC(F)(F)F)OC1(C)C 2282880607 LBXJLECEQIEACD-UHFFFAOYSA-N 414.280 1.559 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CC(F)F)C(=O)O)OC1(C)C 2284400566 WVUURUXJCSKVPE-SECBINFHSA-N 411.257 1.434 30 10 HDEE C[C@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284414805 KABXMQROSTYBCT-JQWIXIFHSA-N 401.315 1.531 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@H](B2OC(C)(C)C(C)(C)O2)C1 2303108700 JRGZVCUWCNTAJR-UONOGXRCSA-N 423.319 1.417 30 10 HDEE NC(=O)CSc1nnc([C@H]2CC(=O)N(Cc3ccccc3)C2)n1N=Cc1ccc[nH]1 2325918101 YCEJQHRYLXJSTG-HNNXBMFYSA-N 423.502 1.582 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365213533 VELJFBSTNBYUBO-DOXZYTNZSA-N 402.557 1.552 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367784614 BVNAJRPCNGTBFU-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)C1 2367793353 VLSKOKXXUXTZRQ-QGZVFWFLSA-N 401.481 1.438 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367798941 VXGSYSDCTRMDLK-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367816624 IHAATFFAZXDPQY-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H](CC)NC(=O)OC(C)(C)C 2367824755 MZKKTVZMPBJJDT-ARFHVFGLSA-N 402.557 1.599 30 10 HDEE C[C@@H](C(=O)N1CCCCCC1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 8531309 AHXPDQIKWFQJNT-KRWDZBQOSA-N 404.536 1.656 30 10 HDEE C[C@@H]1C[C@H]1C(=O)NCCC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 31118101 HFTMFINOUXEYNJ-CZUORRHYSA-N 412.469 1.676 30 10 HDEE CCc1nnc(NS(=O)(=O)c2ccc(NC3=CC(=O)C(=O)C=C3OC)cc2)s1 31424801 XFCWHKGIJSOFLE-UHFFFAOYSA-N 420.472 1.879 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cc2ccc(-n3cnnn3)cc2)cc1 109887325 ACVSCHCWDIYQOE-GOSISDBHSA-N 419.470 1.617 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cccc(CS(C)(=O)=O)c2)c1 116403127 HNOBVBOYLYADIT-UHFFFAOYSA-N 422.528 1.626 30 10 HDEE C[C@@H](/C(N)=N/O)N1CCN(C(=O)c2csc(I)c2)CC1 124458183 PHXPCQFWMUYTOM-QMMMGPOBSA-N 408.265 1.245 30 10 HDEE N#CCC(=O)NCc1ccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 219656692 QZFBAOAXBARQHP-UHFFFAOYSA-N 421.369 1.359 30 10 HDEE CN1C(=O)C[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@H]1c1ccc(Cl)c(F)c1 428416191 DSGBFKLUTZOGLU-CXAGYDPISA-N 408.842 1.996 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1 463901876 MEHIYDODJVSNPC-HOCLYGCPSA-N 421.519 1.805 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCN(c2ncccn2)C1 464952512 MCRXDMUTIVITGE-CVEARBPZSA-N 407.482 1.027 30 10 HDEE C=CCN(C(=O)CN1C(=O)NC(C)(C)C1=O)[C@@H](Cc1ccccc1)C(=O)OCC 474220892 PQMQZWIPHKQLOU-INIZCTEOSA-N 401.463 1.506 30 10 HDEE CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 477491519 WNSDMEHTWIDIHF-UHFFFAOYSA-N 420.535 1.665 30 10 HDEE C=CCNC(=O)c1ccc(NCc2ccc(S(=O)(=O)N3CCOCC3)s2)nc1 493005873 AVWBQQZRBRHJFB-UHFFFAOYSA-N 422.532 1.692 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(CCOc4cccc(C#N)c4)CC3)C2=O)n(C)n1 506617997 VPISGOHJQIOAGY-OAQYLSRUSA-N 422.533 1.792 30 10 HDEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 506881038 CAZLRMIVTWQUGP-UHFFFAOYSA-N 405.459 1.986 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cc(OC)ncn2)CC1 508939045 PTTMXECDQKXDKF-UHFFFAOYSA-N 409.498 1.451 30 10 HDEE CNc1ccc(C#N)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 516325127 IWOYELZTMIZQKW-BZUAXINKSA-N 418.519 1.648 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2cccs2)c1=O 523651685 MGRMENZDGZQNEE-UHFFFAOYSA-N 410.524 1.625 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N3CCCCC3)cc21 526841492 UCEJTQPTWYPGPA-PEGYKEAPSA-N 418.515 1.930 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1-c1ccccc1C 531131892 ODKBFXQQTRMJPJ-UHFFFAOYSA-N 406.492 1.390 30 10 HDEE CN(C)C(=O)c1cccc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546184873 IVPSVQXTTHHVEJ-UHFFFAOYSA-N 406.490 1.729 30 10 HDEE Cc1cc(C)c(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(O)n1 567570429 YZSKFPBAMYXDJC-SFHVURJKSA-N 407.474 1.257 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](Cc2cccc(Br)c2)C(=O)O)cc1C#N 569545305 VAWTWJUVHUQJEV-OAHLLOKOSA-N 424.276 1.998 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)c1ccc(F)c(C#N)c1)C2 578508279 ISWWDTPSLZQSEQ-UHFFFAOYSA-N 423.491 1.695 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cc1 584559639 ACUCJXNERAIDLB-UHFFFAOYSA-N 424.482 1.778 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)[C@H](C)C(=O)OCCOC)cc21 586311882 BIJJBGZUZDRTKF-LEHFNCSKSA-N 423.487 1.496 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H](C)Oc3ccccc3C#N)CC2)C1 603557654 MKLKMZUSRPYNKA-GUDVDZBRSA-N 412.534 1.974 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccccc3)c2=O)cc1 603791497 CZYGPZYYRQDIKB-UHFFFAOYSA-N 401.491 1.989 30 10 HDEE N#Cc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)c(F)c1 613251507 FGMKLCZTSLFDIK-FQEVSTJZSA-N 410.449 1.967 30 10 HDEE CSCC[C@H](NC(=O)c1ccco1)C(=O)N1CCN(c2ncccc2C#N)CC1 619107063 QQMVKAWODLCXIO-INIZCTEOSA-N 413.503 1.747 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670197627 DVFVLINFCSGAQW-MJGOQNOKSA-N 404.559 1.770 30 10 HDEE COc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OC(F)F 732446885 WWZXZHXUYXUYTP-FOCLMDBBSA-N 410.377 1.622 30 10 HDEE N#C[C@@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCCC1 732494688 KGXCACWZGOKCDT-ICSRJNTNSA-N 422.485 1.620 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NS(=O)(=O)c1cc(C#N)ccc1C)C2=O 734291120 GKKHGNNLXGLRRS-ZDUSSCGKSA-N 411.439 1.665 30 10 HDEE CCOC(=O)COc1ccc(CCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 745911766 MWWPYFYSRJCGQP-SFHVURJKSA-N 400.479 1.553 30 10 HDEE CO[C@@H](C)c1noc(CN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 747932085 CSVOMEYPFONBTG-LBPRGKRZSA-N 421.479 1.254 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(F)cccc2F)c1=O 748066995 WVTVBIXLALBVKQ-UHFFFAOYSA-N 404.438 1.707 30 10 HDEE C[C@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749213550 WSGUDTOMCLWINB-GHOZOMOVSA-N 405.484 1.301 30 10 HDEE CSc1cnn(-c2ccccc2)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 763140536 YEHVSSUQANFKJU-INIZCTEOSA-N 410.503 1.731 30 10 HDEE C#CCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774018981 WWIGYWPYZVVKNG-OAHLLOKOSA-N 411.911 1.831 30 10 HDEE C#CCN(C(=O)NCc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 774214043 RUBQLTWDEKHEAI-CYBMUJFWSA-N 403.273 1.920 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1ccccc1C 782807207 VUPGKPBZBLWYRY-LBPRGKRZSA-N 416.425 1.741 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCCN2C(=O)c3ccccc3C2=O)n1 788810964 MIBOKUWYCNVCRW-UHFFFAOYSA-N 408.458 1.568 30 10 HDEE C#CCOCCC(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789457024 QJYNDZVXBWABEP-HKUYNNGSSA-N 400.475 1.826 30 10 HDEE CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)[C@H](C)n1cnc(C#N)n1 798745025 DWRBQWHTZFNPOV-ZDUSSCGKSA-N 401.423 1.320 30 10 HDEE Cc1cc(C)n(-c2nncn2N=Cc2ccc(S(N)(=O)=O)c(Br)c2)n1 807958983 JWUNVPIXJIPMET-UHFFFAOYSA-N 424.284 1.373 30 10 HDEE C#CCCS(=O)(=O)NC(=O)c1ccc2cc(I)ccc2n1 810785419 GZDAUVIDSSZSSW-UHFFFAOYSA-N 414.224 1.922 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(F)cc1 812938277 LEZKQJZVRLCHTC-OAHLLOKOSA-N 420.422 1.686 30 10 HDEE CCn1c(=O)c(C(=O)COC(=O)CC2(C#N)CC2)c(N)n(Cc2ccccc2)c1=O 815416835 MGOLSHLUTLXHPD-UHFFFAOYSA-N 410.430 1.080 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CCOCC1 1124294888 FBEWTSIPVKLZCP-UHFFFAOYSA-N 411.911 1.883 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)Nc1c(C#N)nnn1Cc1ccccc1)C2=O 1130753649 QHEHBADGILFCPE-SPLOXXLWSA-N 421.461 1.637 30 10 HDEE C=C(C)[C@@H](CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)OCC 1133401141 XSHGKTVKDIBNNR-HZPDHXFCSA-N 418.556 1.898 30 10 HDEE COC(=O)c1ccc2c(n1)CN(C(=O)C1CCN(c3oc(C)nc3C#N)CC1)CC2 1134842278 ZJBJFQPGVOTVJZ-UHFFFAOYSA-N 409.446 1.838 30 10 HDEE C=CCCC[C@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 1136325796 JNKODJUHHCYLLO-IBGZPJMESA-N 411.502 1.946 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1CCC(C(=O)OC(C)(C)C)CC1)c1cc[nH]n1 1137589750 SPFNEKMDPGRPFC-UHFFFAOYSA-N 422.482 1.710 30 10 HDEE C#CC[C@H](NC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)C(=O)OC 1141998008 FKXNASBTUGWWPK-IRXDYDNUSA-N 404.463 1.812 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)CC1 1144029149 ZHPMLYBGEIJGMW-QZTJIDSGSA-N 422.570 1.600 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1ccc(C#N)[nH]1 1146464472 IKTUBZCLOKOWFI-AAEUAGOBSA-N 414.384 1.880 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1147910263 NCIHXRSXJBBSGQ-CYBMUJFWSA-N 402.923 1.430 30 10 HDEE Cn1cnnc1[C@H](CO)NC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 1148322127 ZQPZSAWCDIRJGK-HNNXBMFYSA-N 402.886 1.796 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1 1152128079 DMIIUSSXJLJION-UHFFFAOYSA-N 421.500 1.755 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1156669846 LCJOJUIRVZJNRT-GJRWTSMGSA-N 411.524 1.419 30 10 HDEE O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N[C@H]1CCCN(O)C1=O 1159641435 LRLHFMWOTAWCEH-LFGHMXSPSA-N 423.491 1.913 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 1160147800 YDVDDEDBABBNJE-INIZCTEOSA-N 416.455 1.008 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCc2ccc(OCC(N)=O)cc2)C1 1175211763 WONCMFFNZPBAHH-JOCHJYFZSA-N 407.474 1.119 30 10 HDEE C=CCC1(O)CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)C1 1177699292 UMWDRSCAJFSSDO-CQSZACIVSA-N 414.549 1.437 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(OC(C)C)CCOC2)ccc1F 1178523130 MJACGYBNMMRATH-SFHVURJKSA-N 400.472 1.604 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC(N[C@H]3CCOC3)C2)nnc1-c1ccco1 1179008667 PRCYYBBKJASYGH-AWEZNQCLSA-N 403.508 1.796 30 10 HDEE CC1(C#N)CN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1214454745 BSDKKVNBKCWYRX-UHFFFAOYSA-N 419.489 1.745 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCOc2ncccc2C(F)(F)F)CC1 1224421143 PNALVKNPARQRDO-UHFFFAOYSA-N 400.357 1.968 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC3(c4ccc(F)cc4Cl)CC3)C2)c(=O)nc1O 1225536743 HDISACVLXWWDOQ-UHFFFAOYSA-N 417.828 1.911 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(Cc2ccc(Br)c(F)c2)CC1 1256584603 HMFHQNSLZRXOCV-UHFFFAOYSA-N 411.319 1.980 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)cc1 1272894393 ZHFPIGBYXFSUNA-LJQANCHMSA-N 424.544 1.805 30 10 HDEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1274168309 AIVQIRLOYLZXPY-UHFFFAOYSA-N 420.454 1.730 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2nnc3n2CCC3)c1 1286310902 HLBXYDLIFUKNAS-UHFFFAOYSA-N 404.478 1.483 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1286335295 IXOUNELASUKKKH-QGZVFWFLSA-N 402.543 1.818 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1286383528 XKEOQUNSZLUJSV-ULQDDVLXSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1286387220 OWILUHTXXWLXCO-INIZCTEOSA-N 424.473 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)NC(C)C)CC1 1286485931 CPJGCFYVXFFDTG-INIZCTEOSA-N 402.543 1.672 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1286578367 HRWDDTGBHHKOSM-QZTJIDSGSA-N 404.559 1.988 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(S(=O)(=O)NC)c1 1286728100 LPCNEGOMZGELBR-UHFFFAOYSA-N 412.519 1.843 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286781011 MACYZTLKECEHFD-IAGOWNOFSA-N 404.559 1.783 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccccc2)CC1 1286787390 FJPJVBZNAHVCLJ-GOSISDBHSA-N 410.522 1.801 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(CCOC)C(=O)C1 1286828697 AHHAMKDZVWSMHL-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)nnc1-c1ccco1 1288987136 RUOGKUIBBSMFAG-OLZOCXBDSA-N 410.521 1.756 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(F)c(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1289435677 DNVWHKBEMWGYTI-RMLUDKJBSA-N 405.220 1.738 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCCNC(=O)c2occc2C)c1 1293899067 IWJYZXNGKJGHSL-UHFFFAOYSA-N 402.472 1.935 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)OC 1297029269 DWZVHBAWNWBACK-IRXDYDNUSA-N 406.479 1.983 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H](C)OC 1297287406 CWCIMHUBGRHTRK-HUUCEWRRSA-N 400.487 1.226 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCNC(C)=O 1300298665 GEVIYENRKZXBCX-AWEZNQCLSA-N 417.539 1.222 30 10 HDEE C#CCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300386990 XPWAJWSHAQPNBY-MRXNPFEDSA-N 412.881 1.159 30 10 HDEE C=CCCSCCNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1300453644 VTYSVACGXGIDDJ-CQSZACIVSA-N 406.570 1.836 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCOc1ncccc1Cl 1300506602 WCQQRYWGSIGSED-UHFFFAOYSA-N 400.870 1.617 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1nnc(C)s1 1300512746 MHKCTQCMIDNAFX-HXUWFJFHSA-N 414.535 1.794 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1300579348 UBDWWXSBERZUOT-QZTJIDSGSA-N 403.552 1.127 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1300600984 CHRXRNZSVQERAD-JKSUJKDBSA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1300603313 YYJXIBXFMWKWOB-LLVKDONJSA-N 413.454 1.124 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1300606569 OTMLJFMDLQOBLA-INIZCTEOSA-N 404.492 1.224 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1300672300 XYSSITJLKMXFKR-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1OCCC1(C)C 1300675588 DDJMPNFLHOGXOA-BZSNNMDCSA-N 406.527 1.903 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300950742 NKXQKIDUYMHCQD-SFHVURJKSA-N 404.559 1.739 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cnc(O)nc1 1306886077 ATMMWZFSXBIEQC-HNNXBMFYSA-N 417.491 1.138 30 10 HDEE COC(=O)c1c(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)n[nH]c1C 1309738734 ATHLCLZGLROCJA-UHFFFAOYSA-N 403.464 1.324 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(CC(=O)N3CCN(CC)CC3)cc2)C1 1310386991 XKOAXKSWCYMJGI-NRFANRHFSA-N 411.550 1.612 30 10 HDEE C#CCN(C(=O)Nc1ccc(N(C)S(=O)(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1311010698 YKRIPHGPFMZWQS-MRXNPFEDSA-N 413.521 1.127 30 10 HDEE CC(C)(C#N)CNC(=O)N1CCN(c2ncc(I)cn2)CC1 1312479336 JFPZLEABQLBKIK-UHFFFAOYSA-N 414.251 1.463 30 10 HDEE CO[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1315214806 MQYTULBJWGTTSD-KDOFPFPSSA-N 412.494 1.988 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C)c1ccccc1 1316208304 CCKQAUOIZDZGCI-PKOBYXMFSA-N 414.510 1.867 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)c2C1 1321094062 UPEJCENQTUWBMW-AWEZNQCLSA-N 404.434 1.286 30 10 HDEE C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1 1321743840 CNNYCJKADIKCDV-XAGMJWQQSA-N 413.434 1.530 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c(Cl)c1 1354283640 BWVUZNMSYNCCTC-UHFFFAOYSA-N 415.862 1.514 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358961923 HGFIRQUOIPOJPD-GJZGRUSLSA-N 405.524 1.046 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC[C@H](OC)C(F)(F)F 1358970867 ZIGFZTKMXPJXIA-YJBOKZPZSA-N 414.428 1.970 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1ncccc1N(C)C 1359026565 CSDBPWPDLKMLBO-UHFFFAOYSA-N 422.537 1.735 30 10 HDEE C#CCSCCn1c(N(C)Cc2cnn(C)c2C)nnc1[C@]1(OCC)CCOC1 1359061723 KTJLHFHPLFKNCP-FQEVSTJZSA-N 418.567 1.975 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359062736 QUBGWIKAZIACMC-QGZVFWFLSA-N 420.583 1.143 30 10 HDEE C=CCCCn1c(COc2cccc(C)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359219607 WVFFCLCUNWAWPB-KRWDZBQOSA-N 424.505 1.279 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CC(F)(F)CO2)C1 1359310823 IAMUOBPDDQDIJZ-HUUCEWRRSA-N 411.453 1.720 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCn2ccnn2)CCOC1 1360320504 YHZXBCIKVAYAMX-APWZRJJASA-N 402.503 1.739 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1360730880 AIHADWMXHHRCNL-HLIPFELVSA-N 401.442 1.905 30 10 HDEE Cc1c(C#N)c(NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)n2ccccc12 1436266189 NBTNOVJSELFQIN-ZDUSSCGKSA-N 413.459 1.223 30 10 HDEE COCC(C)(C)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1436929032 NAIOLJRFMAUQOO-UHFFFAOYSA-N 407.536 1.947 30 10 HDEE N#Cc1ccc(C2(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CCCC2)cc1 1439173524 KGNVMQCAVJSPBH-UHFFFAOYSA-N 418.497 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@H](C(=O)N(C)C)C2)s1 1444210337 OTPKQCBYDULMTE-UONOGXRCSA-N 413.565 1.518 30 10 HDEE C[C@H](CN1CCOCC1)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1448791620 FJKQOACOCJHINV-SFUYWUKASA-N 420.554 1.952 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2c(C)cc(C)cc2C)CC1 1452865993 UWOJHAYYAQEYSU-LJQANCHMSA-N 406.548 1.903 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Br)c(C)s2)CC1 1455115872 SZNOUDICWQZQJB-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CN(CCC#N)CCN3CCOCC3)O2)C1 1459607441 IXVPYVMBTRKSFT-SFHVURJKSA-N 408.543 1.703 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 1463659479 OMAXJKMPJWNCRZ-GOSISDBHSA-N 419.522 1.487 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc1 1465259320 SPKVUROHDVFVOP-WBVHZDCISA-N 406.508 1.768 30 10 HDEE N#CCc1ccnc(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1465813399 HLIZDEPFDZNEBD-UHFFFAOYSA-N 406.489 1.607 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC(=O)N[C@@H]4CCCC[C@@H]43)CC2=O)cc1Cl 1466028046 ICLCISCRQNPJBE-XYPHTWIQSA-N 400.866 1.834 30 10 HDEE COc1cc(N)c(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1S(C)(=O)=O 1468607869 LTXJHVHADWPBMS-UHFFFAOYSA-N 417.487 1.841 30 10 HDEE COc1ccc([C@@H](CO)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470032196 FQPOEJXWBBPNAZ-CTNGQTDRSA-N 422.485 1.743 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)C1 1471336009 HXDTZNKJMVZOSN-LJQANCHMSA-N 405.587 1.210 30 10 HDEE C#CC[C@]1(C(=O)NC[C@H]2[C@@H](C(=O)OC)C2(F)F)CCCN1C(=O)OC(C)(C)C 1471625161 UGCOGUSGRVHSGP-ZJNRKIDTSA-N 400.422 1.950 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3nncn3C)CC2)c1 1471970476 GHHOVDYWCRRJTO-UHFFFAOYSA-N 400.504 1.707 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1476011285 OZQKRQXAPUHVAC-KDCJFMNISA-N 406.508 1.785 30 10 HDEE C#CCN(C(=O)NCCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1478855056 ASPIRJNODFRAAM-UHFFFAOYSA-N 415.556 1.856 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1478960501 ARPQTNJOPMHRKL-INIZCTEOSA-N 405.524 1.754 30 10 HDEE CN(C)CCN1CCC(Cn2c(CC3CC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1503400563 AKUPPQGDXPFWIH-NRFANRHFSA-N 403.550 1.946 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC1CC1 1507700418 QJKKKWFCQGMPFY-UHFFFAOYSA-N 421.480 1.984 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507710616 INVBNPJVIGCZGA-GUDVDZBRSA-N 405.543 1.367 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCOCC1 1507713914 BNQYFXHXSLTINR-QZTJIDSGSA-N 420.554 1.824 30 10 HDEE C#CCSCCn1c(CCc2ccc(OC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1507755417 NYBILUVPWYCHPC-KDURUIRLSA-N 414.531 2.000 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1507832091 MBQMROLFZOSGMS-IRXDYDNUSA-N 423.583 1.446 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@H]1CC 1508074139 OLVIGIWFXCNDRN-OAHLLOKOSA-N 402.886 1.616 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1508080815 RGRIJKVYNLWODB-UHFFFAOYSA-N 420.477 1.421 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@@H](C)C1 1508131814 QKDCWLMVSSJLTQ-GJZGRUSLSA-N 411.572 1.890 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1517498185 FGXLBPBLWSIUMU-XMSQKQJNSA-N 424.505 1.585 30 10 HDEE CO[C@H](Cc1ccccc1)Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1 1517785668 DLTPAEOBLCLESR-MSOLQXFVSA-N 405.462 1.722 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)C1 1521063337 PHZHGKHYAKRFKG-IAQYHMDHSA-N 407.418 1.251 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[C@@H]2COCCO2)cc1 1521090115 PUDJVNRKYVFWJP-PKOBYXMFSA-N 424.505 1.714 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)n(C)c1 1536352597 MOMXOBNRINUKMZ-QGZVFWFLSA-N 400.504 1.824 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)COc1cccc(Br)c1C#N 1538878618 VJKZULKDAILOOM-UHFFFAOYSA-N 424.276 1.814 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1539025659 KJUNCRRRXWLWFM-HNNXBMFYSA-N 412.469 1.428 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCC(=O)N1 1539332646 YQZGCDSHBDMARL-QGZVFWFLSA-N 401.474 1.258 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1Cc1cnn(CC)c1 1539334210 WVGUUTZQEFOLSP-UHFFFAOYSA-N 421.530 1.997 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C#Cc3cccs3)CC2)cc1 1540686965 SZDHVRNXBIBSJU-UHFFFAOYSA-N 402.497 1.835 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 1540790565 VFGDAPGZXCQFRS-UHFFFAOYSA-N 413.455 1.942 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1540872196 GRUDMRIVCGZGGX-HOTGVXAUSA-N 415.425 1.424 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(C)(OC)C1 1540898757 TWVKNNRNJCZIPE-UHFFFAOYSA-N 421.479 1.679 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cnnn2C)cc1C 1542482912 GICKUIPXVGYFPI-GOSISDBHSA-N 408.466 1.380 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCCc2nc(O)c(C(N)=O)cc21)C(=O)OC(C)(C)C 1543368320 FLBOIZXFIOLXKF-CQSZACIVSA-N 402.451 1.250 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1547250182 AXPBKNKNYAOHKI-IRXDYDNUSA-N 407.478 1.058 30 10 HDEE Cc1ccc(C(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1S(=O)(=O)NCC#N 1556688200 LJARYAKSMRREAG-MRXNPFEDSA-N 401.492 1.754 30 10 HDEE C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1ccn(C)n1 1556972040 WNNYMKMISVNGLR-AWEZNQCLSA-N 403.508 1.896 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1557243862 YSCLCAFTNDPQPL-GOSISDBHSA-N 413.522 1.405 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCc3ccncc3)CC2)c1 1557799162 OQJSXWRAJRCAPQ-UHFFFAOYSA-N 411.527 1.879 30 10 HDEE NC(=O)c1nccnc1C(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633557 CZWYTIIMMPJVGB-WDSKDSINSA-N 418.244 1.819 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1558675469 GMCDESJNRIWBSU-UHFFFAOYSA-N 418.500 1.268 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H](C)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1563640731 VOEAWGVYONYNQY-MRXNPFEDSA-N 407.536 1.948 30 10 HDEE C[C@@H]1NC(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)=NN(c2ccccc2)C1=O 1570830936 GYRPMHUKRGBNLS-OXJNMPFZSA-N 416.485 1.934 30 10 HDEE Cc1ccc(C(=O)Nc2cnn(CC(=O)N(C)C)c2)cc1B1OC(C)(C)C(C)(C)O1 1584789025 HTSUINKTBWXSJT-UHFFFAOYSA-N 412.299 1.831 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@H]21 1585296918 NSVRSBOVSQBWQC-FMSZJNSPSA-N 416.275 1.977 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1587856405 KTSAINKPCVWUQX-JKSUJKDBSA-N 400.483 1.058 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1588054936 QFXHKPZXJRUFSI-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1588138256 BDOASQNBXCELHH-SJORKVTESA-N 402.520 1.070 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@](C)=O)CCC1 1588258805 JBAKNQSTMIKWKR-FOLRYPLNSA-N 418.563 1.766 30 10 HDEE C=C(Cl)Cn1c(N(CC)CCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1593932316 GYIWMVALXUOPAR-QGZVFWFLSA-N 420.963 1.942 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COC)C1 1594733377 SDRZGNCNXIEBQU-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)COC)C1CC1 1595054692 PBZMFSWRZWGFBW-HOCLYGCPSA-N 413.544 1.048 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)OC(C)C)[nH]n2)s1 1597791426 VXXCPIXJSRFEGH-UHFFFAOYSA-N 412.493 1.682 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)COc2cccc(Br)c2C#N)nn1 1597929514 KGPVILDQHGIHIJ-UHFFFAOYSA-N 411.237 1.532 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)NC[C@@H]2c2ccccc2)ccc1F 1611072288 DYRHKXZLZCPEEX-QGZVFWFLSA-N 417.462 1.603 30 10 HDEE CC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1613086353 JPJLOYVEYJIMJE-UTKZUKDTSA-N 411.510 1.536 30 10 HDEE CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1\N=CC=CC1=O 1615180337 NIKPSDANTRNTJQ-FMQUCBEESA-N 420.477 1.499 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1615972541 FPTLOKIMLAGGIG-MRXNPFEDSA-N 418.523 1.106 30 10 HDEE CC(C)(CC(=O)NCCN/C(O)=C1/N=CC=CC1=O)NC(=O)OCc1ccccc1 1616347960 UHIRMAMGGUKUCU-HNENSFHCSA-N 414.462 1.724 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3ccc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1617487752 RGMOISIYHHGXJH-NHYWBVRUSA-N 401.257 1.527 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1 1618252481 SHNFCDKCEJGLSB-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)C1 1622551042 BAZDNAGDUNTMSZ-GFCCVEGCSA-N 415.309 1.612 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)CC1 1623173966 JBUHIDSNOJWKKO-CYBMUJFWSA-N 405.426 1.499 30 10 HDEE C[C@H]1CCc2nc(NC(=O)c3ccc4c(=O)n(C)c(=O)n(C)c4n3)c(C#N)cc2C1 1627762289 HTLVWFATFQTSGV-NSHDSACASA-N 404.430 1.276 30 10 HDEE O=C(CCCS(=O)(=O)c1cccc(Br)c1)N[C@H]1CCN(O)C1=O 1628369780 BDAOJWYOCOZGIK-LBPRGKRZSA-N 405.270 1.109 30 10 HDEE COC(CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)(OC)c1ccccc1 1630854651 RBWZDWZZXKWXKA-UHFFFAOYSA-N 403.460 1.099 30 10 HDEE CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1632294370 MRIKLOFHEYLBED-HNAYVOBHSA-N 424.505 1.283 30 10 HDEE C=CC(=O)N1CCC(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)(c2ccccc2)CC1 1632874097 CYKIFTVMHNGFOG-MRCUWXFGSA-N 422.485 1.375 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1[C@H]2c3ccc(Br)cc3C[C@H]21 1632880734 YITUTOFWJOEYEF-XVTYAVOBSA-N 416.275 1.977 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 1633140905 NXUQWKGKPNVKOP-KDURUIRLSA-N 407.470 1.955 30 10 HDEE C=CCOC[C@H](NC(=O)c1nn(C)c(C(F)(F)F)c1Br)C(=O)OC 1635158481 BRCNMIIEPWMETP-ZETCQYMHSA-N 414.178 1.675 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1635660686 ARNSOFVITNOMTM-UHFFFAOYSA-N 418.519 1.095 30 10 HDEE CN(C)C(=O)NC1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1636056485 RJRASXHPGBTWKE-UHFFFAOYSA-N 406.527 1.899 30 10 HDEE C#CC[C@H](CO)NC(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1636839137 UHJJAXPZZZQYNZ-MRXNPFEDSA-N 420.465 1.483 30 10 HDEE CC1(C)NC(=O)N(CCCNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1=O 1639037171 RTIXDBZEDVNNJL-HNNXBMFYSA-N 413.482 1.260 30 10 HDEE CN(CCNC(=O)C(=O)/C=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1 1639800554 LLFYPFJKHCHCIO-NYYWCZLTSA-N 408.426 1.984 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC4(CC3)COCCO4)C2=O)cc1 1643503747 IDOADSSWVYLODB-QGZVFWFLSA-N 412.446 1.171 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](N3CC(=O)Nc4ccccc43)C2)c1 1645246901 KJPZDZFFOGFXNE-SFHVURJKSA-N 417.469 1.849 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1nc(C(F)(F)F)n[nH]1 1645528551 QDZHEDBRWRUCKY-QMMMGPOBSA-N 416.385 1.130 30 10 HDEE N#Cc1cn(CCNC(=O)C2=Cc3ccccc3O[C@@H]2C(F)(F)F)c(=O)nc1O 1646147347 GPCWDSBWIWITGM-AWEZNQCLSA-N 406.320 1.344 30 10 HDEE CN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H](O)c1cccc(C#N)c1 1647114159 BTRJYOBXDXGYRV-QGZVFWFLSA-N 410.430 1.643 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)s1 1647877726 HUAXQAMDPJBICR-MRVPVSSYSA-N 423.442 1.769 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(Br)c2)cc1 1648190730 AYCYKGRWDZZZPT-UHFFFAOYSA-N 423.292 1.966 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1650977885 MMJBRXSEPOUCMU-MOPGFXCFSA-N 422.570 1.206 30 10 HDEE CC(C)OCc1ccc(CNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1654889228 TXNIFIMASQXQQI-ICSRJNTNSA-N 405.520 1.098 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1655372231 JCFLKOGRKGMFCF-GOSISDBHSA-N 424.519 1.754 30 10 HDEE CNC(=O)[C@H](CCSC)NS(=O)(=O)c1cc(Br)ccc1C#N 1655521509 HPPJKDZFTFZOIX-NSHDSACASA-N 406.327 1.467 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](c3ncccn3)C2)CC1 1655712512 HBXXXQZDWRTZAQ-UYAOXDASSA-N 408.481 1.814 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)cc1 1662962784 HFIVIKGMHMVDIW-UHFFFAOYSA-N 400.428 1.203 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)c1 1665292615 UYINSJNSCYCKPR-HNNXBMFYSA-N 416.446 1.811 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)c2ccc(F)cc2F)CC1 1669278777 LFGLGLFEANHGHO-MRXNPFEDSA-N 400.451 1.211 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1671199800 VNQZXIRJGHQVKO-CQSZACIVSA-N 405.517 1.271 30 10 HDEE COc1ccccc1-c1cc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)on1 1683044741 XAJPQAULVJIMOR-ORAYPTAESA-N 416.459 1.430 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2cnnn2C)c1 1689870147 CYMHIOLJPQDIEE-UHFFFAOYSA-N 404.478 1.779 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1689994520 ZVLILPGDCXXJTF-WMZOPIPTSA-N 417.535 1.173 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1690060749 HBLAWJOELYRBJI-HRAATJIYSA-N 403.527 1.693 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC[C@H]1CCCCO1 1690092544 MISULUIZMQSGMO-GOSISDBHSA-N 403.527 1.949 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCO[C@@H]1C 1690106510 YXFNHCCKZPMDAP-GCJKJVERSA-N 414.506 1.791 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)c2ccco2)CC1 1690150253 AOEIBCFKJOCIOY-QFIPXVFZSA-N 411.506 1.697 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1690166099 UXYZAAUUAXKPQF-HDICACEKSA-N 416.503 1.890 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690359245 WKHCLPPBLVIEMV-KSSFIOAISA-N 410.906 1.285 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1690672620 XVZYXCBNCOCBML-MRXNPFEDSA-N 423.525 1.156 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1690674316 WSQWSZGXNXTTDQ-OAHLLOKOSA-N 400.508 1.044 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2(O)CCOCC2)C1 1690711915 KLVURPOLFHLURG-QGZVFWFLSA-N 419.526 1.113 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n(C)n1 1693405297 HLMXELMRUNTCHM-YLJYHZDGSA-N 415.498 1.138 30 10 HDEE CCNC(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCC1 1695920449 FSVIVSQXLAOGKZ-QGZVFWFLSA-N 409.494 1.299 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C[C@H](C)O1 1697894252 OCVYRAJEWNQCSM-QFBILLFUSA-N 415.494 1.456 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCOC[C@H]1OC 1698061230 NBNCOZDHBPVALU-KZNAEPCWSA-N 407.515 1.590 30 10 HDEE C[C@H]1CN(CCN(C)c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H](C)O1 1698459281 KUHGXEGRWRXCON-CALCHBBNSA-N 410.522 1.887 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C(F)(F)F)C2)o1 1698488513 PSIGIMWVUONBGT-AWEZNQCLSA-N 424.383 1.681 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)N1CCCC1 1702980917 SKAZKKPICPEZMU-BCDMZGRMSA-N 404.511 1.021 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705540207 QEFXVAOGGPBMAJ-LNLFQRSKSA-N 415.538 1.911 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN(C)C1CCCC1 1705580992 QXLMOJLHTWCBKS-UHFFFAOYSA-N 408.506 1.953 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705752530 YZBASYGFVCKCLY-GOSISDBHSA-N 418.889 1.246 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC)CC1 1705779041 SJGUAZVAJRXCKY-UHFFFAOYSA-N 419.507 1.625 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1705886973 IZHHOZBEPHEEAL-OAGGEKHMSA-N 417.514 1.692 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705903037 OWQWQNSHYVBASH-OAHLLOKOSA-N 401.471 1.507 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCOCC2)C1 1705922270 JNDLEEJHIVHADP-QGZVFWFLSA-N 413.526 1.627 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1705948492 VMKKGSIIUFRZOA-HOTGVXAUSA-N 418.567 1.567 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1706070347 LAACHPCFRPWYON-ILXRZTDVSA-N 420.543 1.258 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1709851322 PHLHKJSKKBZNCF-OAQYLSRUSA-N 418.542 1.975 30 10 HDEE COCCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1712456442 FNYKTBFDMSVRNR-OAQYLSRUSA-N 415.494 1.721 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)CCO1 1712884852 UKNKYHSROSCAPK-STQMWFEESA-N 405.409 1.677 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1722294407 HADFNIDBHNDDFX-USXIJHARSA-N 400.504 1.642 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722320169 SVUBRBGULSZGRT-MSOLQXFVSA-N 421.567 1.288 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1C 1722349921 GJCASNVNHHWJLG-HZPDHXFCSA-N 406.490 1.934 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)SC)CC1 1722435063 BCJDDCPVSBVBFJ-INIZCTEOSA-N 423.550 1.428 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1722459447 KHRZRYTVZLMMMP-YJBOKZPZSA-N 407.565 1.677 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1722699044 QSGYDNPMURJDPE-MRXNPFEDSA-N 414.466 1.671 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)C[C@@H](C)C(=O)NC 1722701309 MINQPQLKWNEETM-MRXNPFEDSA-N 423.521 1.402 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC(=O)N(C)C)CCOC1 1723680062 JEXBRDICHSNDSZ-VQTJNVASSA-N 404.515 1.537 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1723817362 CMGZGYMBTHQNTN-CABCVRRESA-N 404.540 1.636 30 10 HDEE CCO[C@@]1(c2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1728780275 OWHRGRFCOJTVRZ-VLIAUNLRSA-N 414.466 1.110 30 10 HDEE COc1cc(C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1729960123 HNMQNQFCZAKXHM-KRWDZBQOSA-N 410.478 1.608 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740622173 ADTWIKULYNOZLV-SFHVURJKSA-N 405.568 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740644428 FWWDCTGRZWHMHA-OALUTQOASA-N 414.554 1.379 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)C1CCC1 1740644527 KCBHNWOCUDMPIO-UHFFFAOYSA-N 410.522 1.283 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC(=O)NCC(F)(F)F 1740684789 BLPLIKBJSWOBCA-CYBMUJFWSA-N 403.405 1.284 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnn(C)n1 1740687795 GZKSJTPMWYBFQW-UHFFFAOYSA-N 410.482 1.132 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)OC)CC1 1740704764 XETOWXRFMKXVAC-INIZCTEOSA-N 411.506 1.954 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1740840333 WATRTUPACKKFRD-CQSZACIVSA-N 404.483 1.864 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740886749 RAXJMQNFLJEEMR-QGZVFWFLSA-N 423.521 1.776 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1740964547 QMRKGQOEMZKRFQ-MRXNPFEDSA-N 402.503 1.167 30 10 HDEE CC(C)Cc1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1741439555 PWCLZLSLQTVWLE-VHEBQXMUSA-N 412.498 1.336 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1747384049 UURCOHJRIZUOMO-DOTOQJQBSA-N 414.466 1.374 30 10 HDEE CO[C@H](C)Cn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1748393571 CEOGPTDBRUVLGG-MMOPVJDHSA-N 418.542 1.530 30 10 HDEE C#CCCCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1748727844 XFNHOFJNFCMBGY-OAQYLSRUSA-N 403.527 1.824 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1748839145 NTGDROLNBVHTDE-UHFFFAOYSA-N 420.498 1.303 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCC(=O)N1CCCCCC1 1748947950 AXUPZVYCZOCTEI-UHFFFAOYSA-N 418.542 1.295 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nncn2-c2ccccc2)CC1 1749015485 XIGDOIYCTFLCBT-UHFFFAOYSA-N 418.505 1.435 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H]1C(C)C 1749667211 UJCPUZYKOTVKGT-HNNXBMFYSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](COC)C1 1749677225 SAXGVVAFMBKPEN-GOSISDBHSA-N 424.505 1.435 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1750104390 GBELEXWURGJFAL-UHFFFAOYSA-N 402.455 1.409 30 10 HDEE C[C@H]1CN2CCC[C@@H]2CN1c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1752405120 POWSYQVBFWIBTC-QFBILLFUSA-N 407.522 1.968 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C[C@H]2CCCCO2)CC1 1759988240 ASRRAMAGGBOZNV-YENHRIDLSA-N 400.519 1.822 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nncn1-c1ccccc1 1760160998 SYRBQDMAMLCZLP-UHFFFAOYSA-N 413.445 1.624 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1760185208 SCEWVPXOOJHPTF-HNNXBMFYSA-N 416.503 1.105 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1760200056 ROSLONFAPQVVGU-UHFFFAOYSA-N 402.458 1.138 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1760214494 QYAUPPKQVTXNJI-UHFFFAOYSA-N 416.485 1.562 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1760219823 PFOJBUVEASFPIL-ROUUACIJSA-N 424.526 1.819 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1760249201 WVNWXWAACWGFHJ-SJORKVTESA-N 410.540 1.431 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)OCC)CC1 1760257091 OHKOZQZHNFJYED-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCNC(C)=O)CC1 1760260401 QQBWBYRKHFIEIL-UHFFFAOYSA-N 405.506 1.708 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCC(=O)NC 1760278117 YVUMITDTTMUVQT-UHFFFAOYSA-N 401.492 1.613 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@H](C(N)=O)C1 1760285734 PQARUQLOXGBWCN-HNNXBMFYSA-N 415.519 1.544 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760522122 MDGJADDBFWIVPB-DLBZAZTESA-N 414.514 1.134 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1760543683 RHULDUGDFWPPIU-ROUUACIJSA-N 417.535 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(F)cc1 1760548887 RLZPBKOVJAGYQN-UHFFFAOYSA-N 423.514 1.793 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCOC2)CCOC1 1761287439 PSEXQFFOLVWNGR-VQTJNVASSA-N 405.499 1.210 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1762051026 JTIMXDLQDFLRGF-CJNGLKHVSA-N 417.539 1.667 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1ccn(C)n1 1762689922 ADESAPNWDPWDBE-HNNXBMFYSA-N 404.478 1.460 30 10 HDEE CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1764016120 UJVVCTUAYASESU-NVXWUHKLSA-N 406.556 1.547 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCCCS(C)(=O)=O 1767492610 WCNQQTZWLITLLB-SFHVURJKSA-N 408.503 1.940 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1768635068 YZUODRBHJSFECJ-QZTJIDSGSA-N 410.478 1.543 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCC(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788567 WNLRYQPHVYJBHI-UHFFFAOYSA-N 402.428 1.808 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)ON2C(=O)c3ccccc3C2=O)CCCC1 1772790719 TYPVQYSROYLWBZ-UHFFFAOYSA-N 410.430 1.834 30 10 HDEE N#CC1CCN(C2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)CC1 1849380359 XSJIQUOCQJJCOG-KRWDZBQOSA-N 424.501 1.995 30 10 HDEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccn1 1850230515 JGPXDPQZTAFWRY-UHFFFAOYSA-N 402.451 1.809 30 10 HDEE C[C@H](COC(=O)C1CCN(c2ccccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852004027 VGDYQBZXBYFLJO-MRXNPFEDSA-N 405.520 1.437 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@@H]4CCCCO4)C3=O)CC2)CC1 1853730300 MCJPLZQMUGIVIC-OALUTQOASA-N 416.522 1.157 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2=O)ccn1 1853909412 BUUSJDBWSYHMGR-UHFFFAOYSA-N 418.862 1.421 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(-n3cccn3)cc2)CC1=O 1854026661 GZDILWUFBCMSEC-INIZCTEOSA-N 416.503 1.834 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3ccc4cccnc4n3)C(=O)C2)C1 1855046776 PDOGASSXIBWHOR-SJLPKXTDSA-N 406.490 1.681 30 10 HDEE CCSc1ccc(CC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855073716 GPYLLCJHDHAALO-SFHVURJKSA-N 400.548 2.000 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)C2=O)CC1 1855163647 QGCQQULPLXPIMD-CVEARBPZSA-N 402.520 1.525 30 10 HDEE C[C@@H]1CN(CCCC#N)c2ccccc2N(C(=O)[C@H]2CCCN2S(C)(=O)=O)C1=O 1856033796 DPHDMXLJZCYVMN-CRAIPNDOSA-N 418.519 1.730 30 10 HDEE CCC[C@H](F)C(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(C#N)cc3)C2)CC1=O 1856097703 PNKZJQMDYWWIFT-MOPGFXCFSA-N 414.481 1.624 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC[C@H](Cn4nccn4)C3)CC2=O)cc1 1856162297 XQKIVVKZXXQREY-PMACEKPBSA-N 406.490 1.480 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN([C@@H]4CCN(C)C4=O)CC3)CC2=O)cc1C#N 1856315210 AVISTNDLHVLISE-VQTJNVASSA-N 408.502 1.798 30 10 HDEE COCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC4(CC3)C[C@@H]4C#N)ccc21 1856528709 SHIYKYRREKNXKB-OAHLLOKOSA-N 417.487 1.453 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856531807 LVCWYZHXYDBCHX-FUHWJXTLSA-N 404.474 1.849 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc21 1856686726 GUVPLTPAPFBCFT-WMLDXEAASA-N 404.492 1.482 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)C(=O)C2)C1 1856862349 OWSGEOFGWMNNRR-GOSISDBHSA-N 401.507 1.568 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3cc4ccccn4c3)C2=O)C1 1857108384 RGLCSSGALCCHIQ-LJQANCHMSA-N 401.426 1.710 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(N4CCOCC4)nn3)C2)CC1 1857250384 LASFASQYSUMDSA-GOSISDBHSA-N 413.522 1.590 30 10 HDEE CCc1nccn1CC1CN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857324655 MQIYREZUCLNVEH-INIZCTEOSA-N 406.490 1.723 30 10 HDEE CCOCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(CC#N)CC3)ccc21 1857372979 QUYJUPKIHQXIHE-UHFFFAOYSA-N 405.476 1.453 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)[C@H]2CCCS2)C1)C1CN(c2nccnc2C#N)C1 1857417431 ACUFRMNJURNLMR-RHSMWYFYSA-N 414.535 1.129 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576445 SLFZJCGQZKXVIP-UHFFFAOYSA-N 419.873 1.993 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(OC)ccc2OC)CC1=O 1872981551 IHNOJVVSSNDBNN-SZNDQCEHSA-N 410.474 1.936 30 10 HDEE N#Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1 1873864790 XXLMJSVOGCCUMB-UHFFFAOYSA-N 412.471 1.992 30 10 HDEE COc1ccc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)c(OC)c1 1873920254 FLKMUDWPQGEVGH-UHFFFAOYSA-N 402.476 1.887 30 10 HDEE COCCc1nnc(SCCO)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874474393 AYZYFSQXRQCZOT-LICLKQGHSA-N 409.424 1.113 30 10 HDEE C=CCn1c(C(=O)N2CCC(O)CC2)cc2c(NCCN(CC)CC)ncnc21 1875228788 DWACUQUZLYWCBF-UHFFFAOYSA-N 400.527 1.968 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(C)c1 1889548384 DZCPCNORKNZQAD-UHFFFAOYSA-N 419.591 1.724 30 10 HDEE Cc1cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc(Cl)n1 1890937459 BXRAGFUTMIURRZ-UHFFFAOYSA-N 404.942 1.915 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1992861488 VVVKBUCRGYMIBN-GCJKJVERSA-N 420.506 1.872 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cn1 2118166397 IUULTFPWXVLLQJ-QGZVFWFLSA-N 416.459 1.269 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)OCC1(C)C 2174787058 PXOXPUSMTPPZIO-KGLIPLIRSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@H](O)C1 2217463875 JFCQIGKKTWCZGB-INIZCTEOSA-N 419.331 1.799 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(N)=O)CN(C(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2247829931 NUTATOGGTREAEF-STQMWFEESA-N 423.319 1.402 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2247844353 APKTZKDXAYBRKA-ZDUSSCGKSA-N 424.303 1.536 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857717 XLSGKUNOYNTZHB-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE C=CC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CN(C(=O)OC(C)(C)C)C1 2247917100 IDPSGRLBYIZDNL-UHFFFAOYSA-N 418.303 1.614 30 10 HDEE CC(=O)N1CC(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282313243 ISHZEUBWLKXITI-UHFFFAOYSA-N 420.749 1.210 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282320235 FTNWGSASTGIRBQ-BETUJISGSA-N 400.375 1.904 30 10 HDEE CC1(C)C[C@H](CO)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333767 SKRWBEMTVRWEJI-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE COC[C@H](CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282337976 OEZNAMKBTSREAG-ZDUSSCGKSA-N 405.347 1.329 30 10 HDEE CN1CCC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282347793 CLGWVKYKSASPAJ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CN1CCC[C@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420358 XUQJWLMCRYCMEJ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCNC3)c(Cl)c2)OC1(C)C 2282489633 HLGVEPSTOSYLMY-CYBMUJFWSA-N 400.737 1.670 30 10 HDEE C[C@H]1CN[C@H](C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496479 BMOIBTSNJZYZCA-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCS1(=O)=O 2282603580 IUSOCRZIUVSTGO-MNOVXSKESA-N 400.331 1.090 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282623073 BXBJCAMJBAUEKN-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1C[C@H](N)C1(C)C 2282833631 YNFLXYINNYFEDJ-QWHCGFSZSA-N 400.375 1.760 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282851497 CUPMOYHQMSEXOL-QGZVFWFLSA-N 401.359 1.900 30 10 HDEE C[C@@H]1CC[C@H](CN)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852757 TUVHFJAQEIHBGF-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CC(C)[C@H]1COC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854751 VONXLNZHFZDKGN-OCCSQVGLSA-N 401.359 1.997 30 10 HDEE CC(C)(C)OC(=O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284406971 FSVDHFKMELKALA-UHFFFAOYSA-N 403.331 1.667 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372243 PCJLLHVPHHMWAK-UONOGXRCSA-N 401.554 1.719 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(F)(F)C(F)(F)CO)[C@H](O)C(F)(F)F 2361665150 PTWDIHGDWPVBKU-RQJHMYQMSA-N 416.290 1.182 30 10 HDEE C=CCN(CC(=O)O)C(=O)NCc1c(Br)c(Br)nn1C 2364432779 NZFCXEIKKBJHLX-UHFFFAOYSA-N 410.066 1.727 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2365207981 QZESGEJSUIOIKU-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365252280 CHJAPCLGIKIEDG-UGSOOPFHSA-N 403.497 1.682 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(COC)CCCN1C(=O)OC(C)(C)C 2367796351 PUJIFWAETMJGEP-HNAYVOBHSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](COC)NC(=O)OC(C)(C)C 2367800118 GVNMOHUMSOPLKE-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CC1(C)C[C@H]([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)N(C(=O)OC(C)(C)C)C1 2367812224 QQQCYJXCHCXGPE-RBSFLKMASA-N 400.541 1.291 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2367825622 QVXQHGFEUZEEJL-HOTGVXAUSA-N 400.541 1.163 30 10 HDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@@H](OC(C)=O)[C@@H](O)[C@@H]1C(C)(C)CC[C@@H](O)[C@@]12C 622037 OHCQJHSOBUTRHG-AQRNKORQSA-N 410.507 1.520 30 10 HDEE in-vitro C[C@@](C#N)(NC(=O)COC(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3)C1CC1 11652899 ZKFVDURCOBTFKJ-FQEVSTJZSA-N 414.487 1.758 30 10 HDEE COc1cc(OC)c([N+](=O)[O-])cc1/C=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1 169905762 OBWZHGBOALJPLY-CXUHLZMHSA-N 410.364 1.833 30 10 HDEE C#CCN1C(=O)[C@@H]2[C@H](c3ccc(Oc4ccccc4)cc3)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248033256 YGYJBZQCXBLQAU-KGYLXKDPSA-N 420.421 1.173 30 10 HDEE CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254340846 MNDLUCWEZFUGBC-JYJNAYRXSA-N 409.533 1.533 30 10 HDEE COCCN(Cc1ccnn1C)S(=O)(=O)c1ccc(C#N)c(Br)c1 433366490 ZEAJTKMWSQPFSR-UHFFFAOYSA-N 413.297 1.892 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3ccc(-n4cnnn4)cc3Cl)CC2)c1C#N 461198791 SNOSZQKNOMYEFH-UHFFFAOYSA-N 414.882 1.915 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)cn1 462093875 SUGKLYPCGKQJDA-CYBMUJFWSA-N 407.356 1.814 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 471654372 DCRXLBYCJKQBHA-UHFFFAOYSA-N 417.447 1.171 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3noc(C4CC4)n3)CC2)cc1 481454531 OWYLMDOMNWLQDW-UHFFFAOYSA-N 416.463 1.035 30 10 HDEE Cc1cnc([C@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 488551352 UHJXDEYHKAJQBZ-AWEZNQCLSA-N 403.464 1.632 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)C(=O)Nc2nc(-c3cccc(C#N)c3)cs2)CC1=O 501329144 FZRQWAUAZNFKLL-DIOULYMOSA-N 409.471 1.746 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC(C)(C)C1 508910836 FKPSYORWFSYIQD-CQSZACIVSA-N 413.544 1.191 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 509000334 JSFHHQMMKSXLCY-HXUWFJFHSA-N 408.466 1.597 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2ccccc2OCC2CC2)c1=O 516829020 BOPFVJMDOWMUEP-UHFFFAOYSA-N 423.538 1.914 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)N2CCN(c3snc(C)c3C#N)CC2)C1 517110308 FSWNGADCWIENDE-HOTGVXAUSA-N 419.551 1.635 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)cc1 536296540 BSGYHVFAXPQCGM-CFLQYTFWSA-N 422.464 1.744 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCC(CCO)CC2)n1 541138540 KMKQZTWOCVQJES-UHFFFAOYSA-N 401.854 1.957 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 568772932 BVVXURKBQNMJBW-KGLIPLIRSA-N 413.544 1.632 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 574305350 KHBCERVLFLVVEY-KGLIPLIRSA-N 407.478 1.468 30 10 HDEE COc1ccc([C@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 585692528 MWWOTHJRMMOGFC-AWEZNQCLSA-N 411.437 1.627 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)/C=C/c2ccco2)C1 585824407 QOUZXDMZGBONBI-QBJLPMDFSA-N 407.426 1.395 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 610762327 VIFVXWWWWYDLJT-CQSZACIVSA-N 401.471 1.059 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)[C@@H]1CCS(=O)(=O)C1 729332684 USYHHXGSJDDWDF-ZWKOTPCHSA-N 410.495 1.842 30 10 HDEE N#C[C@H]1CN(C(=O)c2cn(-c3ccccc3Br)nn2)CCN1C1CC1 732652307 VJPZDPGTHPNHBU-ZDUSSCGKSA-N 401.268 1.842 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCNC(=O)c2cccc(Br)c2)CCN1C1CC1 732700517 IAZXSLDOYLPGQR-MRXNPFEDSA-N 420.311 1.561 30 10 HDEE C#CCCNC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 733287196 ISCRVTUEZIWUDN-AWEZNQCLSA-N 419.366 1.989 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(N2CCCS2(=O)=O)c1 734294383 MRZIHAYMRDIIDY-UHFFFAOYSA-N 419.484 1.525 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1CC(O)C2 736187667 ZKSVFKAYAJWXPJ-GJZGRUSLSA-N 405.520 1.800 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CC(=O)NC2CCCC2)C1=O 746694150 QMYGUKKFAOYCQN-MRXNPFEDSA-N 413.503 1.685 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1ccnc(C#N)c1 746953669 LCWCVQUPUWNBEB-ZBEGNZNMSA-N 409.851 1.378 30 10 HDEE N#Cc1cc(COC(=O)CNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccn1 746976389 PZXWYOLLDOHPCI-UHFFFAOYSA-N 414.443 1.102 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)cc1C#N 747498775 RZCMTHOXQFJQMZ-UHFFFAOYSA-N 419.434 1.505 30 10 HDEE Cc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCOC2)cc1 751665131 UPPOFVRCPPUQGZ-SJORKVTESA-N 404.536 1.783 30 10 HDEE COc1ccccc1N=C1S[C@H](CC(=O)NCCN(C)C)C(=O)N1[C@H]1CCOC1 751682031 URSNPECTMJCCDE-WMLDXEAASA-N 420.535 1.484 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/CCc2ccccn2)N(C2CC=CC2)C1=O 759698031 YVXGQXZIRVVPHX-QAYQYMSWSA-N 415.563 1.711 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cc1 760405166 LJKMCBZTBOZJNW-UHFFFAOYSA-N 412.533 1.943 30 10 HDEE COc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 765894186 UWFBSYNTSPWDMW-FQEVSTJZSA-N 422.485 1.836 30 10 HDEE CCc1ccc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(C)(=O)=O 765913518 LZRGDLYOBMFEHW-UHFFFAOYSA-N 406.485 1.784 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 772383658 LTQGXROBTKLEJZ-KRWDZBQOSA-N 413.478 1.426 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3cnc(CC(C)C)s3)c2=O)cn1 772905134 VRSBCPWRWBGQJX-UHFFFAOYSA-N 410.528 1.797 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCS(=O)(=O)C1 774187309 LXAPEHHTDLJOQY-VQIMIIECSA-N 404.488 1.741 30 10 HDEE C#CCN(C(=O)Nc1ccn(Cc2ccc(OC)cc2)n1)[C@@H]1CCS(=O)(=O)C1 779509300 JQJUWQFPYQWKAT-MRXNPFEDSA-N 402.476 1.594 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2cncs2)c(=O)n1C[C@H]1CCCO1 781647776 AEJREJFTLYEZLL-CQSZACIVSA-N 415.540 1.808 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1-c1ccc(C(N)=O)cc1 782924601 IEFVVZYIJXXUDT-UHFFFAOYSA-N 423.457 1.573 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)cc1C#N 784907807 OUEYJTIAGJACRW-GFCCVEGCSA-N 401.423 1.144 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(C3CCCCC3)C2=O)n1 788367707 WCTXYBYZJGFEFL-OAQYLSRUSA-N 401.511 1.813 30 10 HDEE C#Cc1ccc(C(=O)NC[C@](C)(NC(=O)c2ccc(C#C)cn2)C(F)(F)F)nc1 791078179 PZRYVDWBXAXREO-IBGZPJMESA-N 400.360 1.920 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br)C(=O)OC 795400017 CRDDKJCHZSWGHB-NSHDSACASA-N 423.241 1.380 30 10 HDEE C#CCN(C(=O)[C@H](NC(=O)c1ccc(Cl)s1)C(C)C)[C@H]1CCS(=O)(=O)C1 800886451 ZEOPERLJLMXJSE-SWLSCSKDSA-N 416.952 1.805 30 10 HDEE C[C@@H](OCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)c1nccn1C 805177910 RQMGJWNFCFVROP-CHOFAJOMSA-N 419.507 1.949 30 10 HDEE C#C[C@H](NC(=O)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)[C@H]1CCCO1 809305457 DHIBLCQKCQYBFH-BBWFWOEESA-N 408.401 1.485 30 10 HDEE C#CCCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 810781453 BYTNCSAGQFGIKN-SZMVWBNQSA-N 418.515 1.938 30 10 HDEE C#C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1 812749070 BHMHAMRDURZJIN-SFHVURJKSA-N 417.462 1.297 30 10 HDEE C=CC[C@]1(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 816814272 MOLOSDZDDCOYBJ-HNAYVOBHSA-N 415.556 1.825 30 10 HDEE C[C@@H](OC(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 823286880 ARRGHGUQDPRONK-CHWSQXEVSA-N 401.444 1.628 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(S(C)(=O)=O)CC1 1137252326 NJMQOAZABFGQAC-OAHLLOKOSA-N 401.529 1.999 30 10 HDEE O=C1[C@@H](NC(=O)C2(c3ccc(I)cc3)CC2)CCCN1O 1141462952 ACJVDBVKOHZQSJ-LBPRGKRZSA-N 400.216 1.819 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@H]2CCCS2(=O)=O)c1 1141803070 DYQCUPVZLUPHLS-DZTQIWHNSA-N 413.521 1.405 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN[C@H](C(C)C)C1 1148127357 BBXOOWCIRLXMHD-IRXDYDNUSA-N 406.552 1.740 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)CC1 1148406569 VAGZWZUHZILEPK-UHFFFAOYSA-N 406.504 1.516 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](c4nn[nH]n4)C3)C2)C1 1153002047 QDBMVCUBAIGPEG-TXCIGDHXSA-N 401.471 1.302 30 10 HDEE C[C@H](CC(=O)NC[C@H](O)Cc1cccc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1159737673 FYXBZOUEBJADLX-CZUORRHYSA-N 419.478 1.363 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1162686456 HINHMWWEVJYIIO-KBPBESRZSA-N 403.508 1.795 30 10 HDEE C#CCN(Cc1nc(O)c2cnn(C)c2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1176129732 JPOMDZGEULUHRO-UHFFFAOYSA-N 400.483 1.904 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)COc3ccccc3C#N)CC2=O)C1 1179999622 CARDLAFENCAWOO-HNNXBMFYSA-N 414.462 1.273 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 1220488841 JGYSJENKMOJEHA-IBGZPJMESA-N 401.507 1.874 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1230908207 VSBPLFSQHYSCRC-HUUCEWRRSA-N 424.523 1.529 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 1248676761 RJNATJOHFPTSCP-MJGOQNOKSA-N 405.520 1.271 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1C#N 1255194551 GNXDEOAOZGAOKY-UHFFFAOYSA-N 417.491 1.688 30 10 HDEE COc1cc(C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)ccc1C#N 1266367411 XUKHIDHQKJPLHR-INIZCTEOSA-N 405.410 1.704 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(C)(C)CN1CCOCC1 1275665827 JZRPLTAQMPTJSF-UHFFFAOYSA-N 407.536 1.947 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1N1CCOCC1 1286271194 QWUYSGXFKBIQIY-MRXNPFEDSA-N 411.510 1.154 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(F)c1F 1286464450 BAKXPKAGMNEXGB-MRXNPFEDSA-N 403.433 1.836 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2csc(COC)n2)CC1 1286476966 LSKBRHIDAPPRHV-UHFFFAOYSA-N 411.535 1.690 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCCS2(=O)=O)CC1 1286477402 ZRHORZNMSKKMGA-QGZVFWFLSA-N 416.551 1.006 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1286483348 HWSKNSHSGNZVEC-FQEVSTJZSA-N 420.561 1.733 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCCC2)C1 1286495433 VMLXDKAUPNEUOF-KRWDZBQOSA-N 404.584 1.847 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1286608624 SMXNNNRMCZUDRA-HWOWSKLDSA-N 400.520 1.957 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286706106 JVJCFPWTOJMJMM-FGTMMUONSA-N 403.527 1.968 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCc2ccccc21 1286779465 RUACROOEPKXQPQ-SFHVURJKSA-N 408.506 1.940 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2CCCN2CCCO)n1 1290588711 AAPWQVUIQGWVRY-HKUYNNGSSA-N 414.558 1.725 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)CC(=O)N1C 1291218746 YZPPFICEXVWYAN-CRAIPNDOSA-N 410.478 1.289 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cs1 1292746564 NYAQKLGNCOBFQX-CQSZACIVSA-N 420.564 1.987 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCCc2c1cnn2CCO 1295983666 XCTNUJRHSGFABF-CVEARBPZSA-N 405.499 1.956 30 10 HDEE CN(CCCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)c1ccncc1 1297333057 AODXTOZVWADODV-FQEVSTJZSA-N 419.485 1.723 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1297333064 AOPICWBJMZIUQM-FJIDUMEYSA-N 401.488 1.131 30 10 HDEE CC[S@](=O)CCn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297817385 NRBSENAHUNUEON-YBKRRLQSSA-N 416.507 1.086 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[C@]1(C#N)C[C@H]2CC[C@H]1C2 1299867583 CENTZDIDDJMZNV-DEYYWGMASA-N 406.464 1.661 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1300340343 XPBRTPMXEFIFHI-HNNXBMFYSA-N 409.450 1.370 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1300512634 LFAYNNBJYQTZGH-QFIPXVFZSA-N 413.522 1.309 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNc1ccccn1 1300531826 HWCDBGVTSVSIFD-UHFFFAOYSA-N 417.473 1.976 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@@H](C)C1O 1300565384 RYMQPPJTRVLSBI-HUUCEWRRSA-N 405.520 1.434 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CN1CCCCC1 1300663478 CXOOQOOTAYBATG-QZTJIDSGSA-N 402.543 1.437 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC=CCO1 1300673646 SXLBHGCVLIZQLD-IBGZPJMESA-N 406.490 1.948 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3ccsc3C#N)CC2)=NO1 1300768823 SCKUCWVUPBTPIR-CYBMUJFWSA-N 419.507 1.938 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1300988272 ALCUIMDJBPJUKM-SOABOVLPSA-N 424.567 1.370 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1301000325 RBJIBDBLSLFSTC-UHFFFAOYSA-N 403.458 1.915 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1301080994 YXPQLHNQZPWGHS-QZTJIDSGSA-N 402.543 1.623 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1301270060 BCYOEBAWRBEBIF-SFTDATJTSA-N 403.527 1.952 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1301475709 WUTUVLRFGJVRGP-KRWDZBQOSA-N 416.526 1.212 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC(C(N)=O)CC1 1301485371 VMIOJXMMXXSUAN-UHFFFAOYSA-N 408.462 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1301490611 BNGBQRJJONDRTI-OAHLLOKOSA-N 409.494 1.137 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)C1 1301557306 ODDHMUNDCJAHHA-DLBZAZTESA-N 403.527 1.870 30 10 HDEE CN(C)c1nc2c(s1)CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1303218642 WSPHKTGBOHSVIZ-UHFFFAOYSA-N 408.480 1.844 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCN1CCCCC1 1304855694 HMOCXDHIIDZDSC-KRWDZBQOSA-N 409.542 1.839 30 10 HDEE CCc1nc(CCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)cs1 1306010698 HLEQHTGJPOBINT-OAHLLOKOSA-N 415.523 1.504 30 10 HDEE CCc1noc(C)c1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1306231877 AQVLJEIQZUERML-GJZGRUSLSA-N 404.471 1.638 30 10 HDEE CCc1nc(C#N)cc(N2CCC(n3nncc3I)CC2)n1 1307169462 QWMHMAJYQCOVIJ-UHFFFAOYSA-N 409.235 1.948 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2oc(-c3ccccc3)nc2C(F)(F)F)CC1 1307193341 BJIOOWDLEKHVKF-UHFFFAOYSA-N 414.409 1.950 30 10 HDEE C#C[C@H]1CCCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1307877153 FHDQWZPPSAIRJR-NSHDSACASA-N 403.460 1.332 30 10 HDEE COc1cnc([C@@H]2CCCN2CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)nc1O 1308143329 YZQJMQJVMBEBND-JKSUJKDBSA-N 402.499 1.020 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)c1 1309613583 PHAMWHVKHVHGKP-MSOLQXFVSA-N 407.536 1.380 30 10 HDEE Cn1ncc(I)c1CNS(=O)(=O)c1ccccc1C#N 1309793972 STNPGBRHUWRNCS-UHFFFAOYSA-N 402.217 1.375 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1313498665 UHSJZGJGSZTFOZ-QAPCUYQASA-N 412.494 1.462 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCn2ccnc21 1316102555 YCOGWCMHZRJGNU-JKSUJKDBSA-N 412.498 1.370 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1358897449 ZIMYYCLWXGQTQK-QGZVFWFLSA-N 400.527 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1ccc(C(N)=O)nc1 1358941352 GPLNBQQAPQOVNQ-UHFFFAOYSA-N 406.446 1.574 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1CCN(C(C)=O)CC1 1359022544 DOHBIEYCXYQTKV-UHFFFAOYSA-N 410.522 1.993 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1359151551 WTNWVBXZUMVDNV-SJORKVTESA-N 424.977 1.961 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1359281643 GKSKGSMOSXQACG-CQSZACIVSA-N 409.487 1.401 30 10 HDEE COCCCn1nc(C(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)ccc1=O 1436181523 HNGXAWFPDCMIRP-UHFFFAOYSA-N 414.437 1.974 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCc4c(C#N)cccc43)C2=O)cc1 1436920638 YNISTSUVBAXOSY-JOCHJYFZSA-N 404.426 1.923 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CCCN1C(=O)OC(C)(C)C 1439089305 RORPLHYHIVZGRV-ZHRRBRCNSA-N 420.506 1.818 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1448193610 OAAMTLPKMQZBQX-ZNMIVQPWSA-N 401.529 1.127 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3cc(O)ncc3Br)C2=O)cc1 1448832719 AYWPPLIRNNZFOU-HNNXBMFYSA-N 415.247 1.952 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)C3(c4ccc(C#N)cc4)CCCC3)C2)cc1=O 1456432472 KQZIUTLJHYIZMX-KRWDZBQOSA-N 407.474 1.564 30 10 HDEE COC(=O)[C@H](CC(F)F)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 1463346609 BRXWJNZEBBJGAC-VIFPVBQESA-N 415.187 1.935 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1464543299 OUIXFXBWPYOSDL-MRXNPFEDSA-N 415.494 1.136 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCN(c3ccccc3C#N)CC2)C1 1464688007 OFMQFBBFUNXREC-UHFFFAOYSA-N 400.479 1.579 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)CSc1ccc(C#N)cc1 1468932880 CWZUZSUAIUZUKY-UHFFFAOYSA-N 423.491 1.974 30 10 HDEE C#CCN(C(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C1CCN(C)CC1 1472034308 ZTJQUEVVMSUDRY-UHFFFAOYSA-N 409.508 1.245 30 10 HDEE COc1cc(F)c(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1F 1475201301 FCSWXSVWJNRYTJ-UHFFFAOYSA-N 411.434 1.398 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H](C)CN1CCN(CC)CC1 1507537407 LGKYATWGNYNJNX-WOJBJXKFSA-N 409.582 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1507669622 OLOHBXXAONVCLN-HNNXBMFYSA-N 403.533 1.342 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CC(OCC)C1 1507688285 YZXMHFCHYPIZCZ-UHFFFAOYSA-N 401.467 1.395 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)OC 1507701245 ASYXJPXTOCHOBS-NVXWUHKLSA-N 420.510 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)cc1 1507711644 GMNQPWXJWGNYJK-UHFFFAOYSA-N 404.474 1.497 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC(=O)NCCC)CC1 1507736473 PVCLYRQRSLEFBT-INIZCTEOSA-N 402.543 1.674 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1507751389 NLTVURPYBZPOIL-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCc2nn(C)c(=O)cc2C1 1507752079 VEFQPRMVNPTFJH-UHFFFAOYSA-N 400.552 1.890 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507847287 JHPNYJOWWGRKOG-OAQYLSRUSA-N 413.526 1.449 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507915691 ZZTQBODHBKJQOP-QLFBSQMISA-N 402.499 1.766 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1508080020 HNEAVFWPEIIRIC-GOSISDBHSA-N 419.489 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cs2)CC1 1508080434 OJLRTABWQOIOHS-UHFFFAOYSA-N 412.523 1.667 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@@]2(CCOC2)C1 1508087502 SMDYZAZNLZCERI-NRFANRHFSA-N 415.469 1.306 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)(C)C)c1 1535418043 YJMFXKOMJSHQEO-UHFFFAOYSA-N 411.480 1.301 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CC(=O)N(CCOC)C1 1539182463 DGDAGCQDIXFAHO-HNNXBMFYSA-N 417.460 1.711 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(OC)CCOC1 1539405610 FRYIOBUSFXVVCL-NRFANRHFSA-N 414.462 1.565 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)cc2)C1=O 1539443253 RKLDGSRBIOSMNP-UHFFFAOYSA-N 416.434 1.973 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C(=O)NC 1539627626 KGRNGLCCEHGYCF-HWMZRRJGSA-N 404.515 1.029 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539758635 PYAIKWWRJLURIK-MSOLQXFVSA-N 419.526 1.377 30 10 HDEE C=CC(C)(C)NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 1539819815 SJPMIHBCNPXTAN-UHFFFAOYSA-N 407.492 1.850 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1539887745 GROSZUDQJCVZFN-SJORKVTESA-N 409.556 1.466 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)CCS(=O)(=O)CC 1540867459 XBCQHAFCBKCVKW-UHFFFAOYSA-N 405.524 1.427 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1540904553 NTSQRJDGBUMQKS-CALCHBBNSA-N 401.536 1.957 30 10 HDEE Cc1ccccc1OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1542779123 XQHWDZGBZVEHOE-IAGOWNOFSA-N 410.478 1.736 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 1543310702 FTRCPAMXDFBGPA-FQEVSTJZSA-N 424.553 1.537 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC(=O)Nc2cc(C)on2)s1 1543878669 FXUVQAGKCCSHDJ-UHFFFAOYSA-N 412.493 1.148 30 10 HDEE Cc1c(C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cnn1CCC#N 1544715472 GGYRJTWNDDKHQA-UHFFFAOYSA-N 415.519 1.961 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1conc1COC 1548175141 HCROVEBLEOZDJQ-MRXNPFEDSA-N 401.471 1.174 30 10 HDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555939731 YGEUGVPQJMNBNL-UHFFFAOYSA-N 400.508 1.808 30 10 HDEE C=C(C)C[C@@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1557938962 WSHKFBVYQLEYLQ-UONOGXRCSA-N 418.512 1.035 30 10 HDEE C#CCN(CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C1CSC1 1559986495 VPEGSMMKKAJYMO-UHFFFAOYSA-N 407.561 1.850 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1562081467 WNKSDCWMOIGPPJ-HNNXBMFYSA-N 413.496 1.165 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H](c1ccccc1C)N(C)C)c1cc[nH]n1 1567695696 DDNLMKXPIVNUQK-FOIQADDNSA-N 415.494 1.810 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc2nc(C(=O)N[C@H]3CCCN(O)C3=O)cn2c1 1569676571 VGZCZYDWXSPDFX-ZDUSSCGKSA-N 403.439 1.469 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)C(=O)NCCc2ccccc2)cc1 1570103422 SCXCJOZPHHTDSE-MRXNPFEDSA-N 413.499 1.075 30 10 HDEE Cn1cc(C(C)(C)NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn1 1570629353 JGNSLBWMGRYJMS-DMAKZNTKSA-N 402.499 1.953 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(c3nccnn3)CC2)CCCN1C(=O)OC(C)(C)C 1585519936 DVSSWEDGUPZFBH-HXUWFJFHSA-N 402.499 1.866 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@]4(CCSC4)C3)C2=O)cc1 1585722110 DKIYPEZYWPZZGP-JXFKEZNVSA-N 414.487 1.498 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1585972936 GWLMTRFZJZECQL-CABCVRRESA-N 400.541 1.917 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1587841744 FKVMLGWPHRRQIU-UHFFFAOYSA-N 404.478 1.449 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)N[C@H](C)CC)c1 1587979362 POUKJXQBTGFOKR-QAPCUYQASA-N 408.506 1.875 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1588791084 MGPXGFLVGVBXML-VQTJNVASSA-N 406.490 1.112 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN2CCCO)C1 1595753808 IORVUIDQCVHVJM-GUDVDZBRSA-N 405.543 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](OC)C(C)(C)C1 1595788574 DELGLRLLHHGUAD-HNNXBMFYSA-N 406.512 1.197 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2CCCC[C@H]2C1 1595798404 PAMFASVVUKSPJV-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(C)(=O)=O 1611761246 GWTFWCCJVBXGGO-UONOGXRCSA-N 423.470 1.331 30 10 HDEE N#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1615098768 USOPAXYPEJHQIE-IAGOWNOFSA-N 416.840 1.763 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1615892993 LZBNXYGMFYCYNQ-FQEVSTJZSA-N 415.586 1.940 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CCO1 1620356505 ZVRZFENXHASGRC-SJLPKXTDSA-N 410.478 1.930 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(n3ccc(C(F)(F)F)n3)CC2)c(=O)nc1O 1624000714 IADUGMIXKFRGJL-UHFFFAOYSA-N 410.356 1.290 30 10 HDEE C=CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OCC 1624931861 MJLRIXWXWGYOLA-KRWDZBQOSA-N 410.492 1.254 30 10 HDEE COC(CN(CCCO)C(=O)COc1ccc(C#N)c(Br)c1)OC 1625606999 XWVJWIDZUHALHE-UHFFFAOYSA-N 401.257 1.529 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1626032695 DNAUFNZIKCKPSY-NRFANRHFSA-N 407.511 1.127 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)NO)cc1 1626238686 FTXAIQZPLAYBJZ-SFHVURJKSA-N 415.446 1.753 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](CNC(=O)OC(C)(C)C)C1)c1cc[nH]n1 1627553554 JNWRRWCGBUYQOI-CYBMUJFWSA-N 423.470 1.067 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1 1627909296 ROPWIAIYNXXSTP-GOSISDBHSA-N 421.519 1.176 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CC(F)(F)CO)CC1 1627951205 NQWHBXAZERDGIM-UHFFFAOYSA-N 402.239 1.635 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1)C(=O)OC 1629617449 PQJGZZLCXXAJSS-IUODEOHRSA-N 407.264 1.792 30 10 HDEE N#Cc1ccc(OCC(=O)NCCCN2CCC[C@H]2C(N)=O)cc1Br 1629699222 OSEMWNMUURVOHW-HNNXBMFYSA-N 409.284 1.156 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(F)cc(I)c1N 1632393801 CVWSLMMBGHTMIW-UHFFFAOYSA-N 405.167 1.541 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C(=O)OC)nn2)C1 1633710603 MKKKKLTVURARGJ-LBPRGKRZSA-N 413.862 1.484 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634987176 YUOKQODBWOCAKX-UWJYYQICSA-N 402.470 1.788 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 1636311382 LXMJZHKIQMGLEI-HXUWFJFHSA-N 401.507 1.824 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)c1 1637984451 ADNKSWCOXIAUSF-KRWDZBQOSA-N 405.520 1.768 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1638177141 NXEQBXIGLASQQS-RUIRWZRLSA-N 406.483 1.713 30 10 HDEE C#CCC1(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCC1 1638340384 MVOAZEQTAFOJEX-HNNXBMFYSA-N 413.540 1.656 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1=N 1639261762 BVMAFCCJNBHUAB-DOMZBBRYSA-N 413.869 1.469 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CC(=C)C)nnc12 1641820606 WBCBVGJARRHJIG-AWEZNQCLSA-N 413.503 1.766 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1659844001 MMHRKHQNFYAXTB-UHFFFAOYSA-N 422.507 1.188 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Nc1ccc(Br)c(C#N)n1 1663862382 CIOMINGUNVOULB-ONGXEEELSA-N 416.301 1.555 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 1680756117 BULRMBJVSUZFMU-INIZCTEOSA-N 400.483 1.566 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1 1681516132 PNEJGHISSGTSKY-NXOLYCHUSA-N 400.504 1.749 30 10 HDEE C#C[C@H](C)NC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1682344942 PJWSMRZUBKJIGT-UAGQMJEPSA-N 419.526 1.585 30 10 HDEE C=C(C)CN(Cc1cnn(C(C)C)c1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1685273250 ZMZTYZOKMWKXAW-UHFFFAOYSA-N 419.573 1.609 30 10 HDEE N#CC1(CNC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)CCOCC1 1686224887 NCNJEMWMXJENBM-UHFFFAOYSA-N 418.878 1.377 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1689827676 ILYVIPRRJVRMHY-SJORKVTESA-N 410.588 1.468 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1689831317 IYOXYJBKCLQKLA-UGNRZPKXSA-N 406.527 1.828 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1689847752 HGUXUBMYXJVKLG-GDBMZVCRSA-N 412.494 1.722 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941408 PDFAXNFRSSEBMT-RZQQEMMASA-N 404.467 1.846 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C 1689976619 RCLRZNDSGQIGEQ-CKJXQJPGSA-N 419.526 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1c(CC)nn(C)c1CC 1690052221 CXXRRMFVQUAVSF-UHFFFAOYSA-N 421.549 1.770 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1690506468 ORUVNFNOWKTVMS-OXQOHEQNSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1690662775 CXDWTFPYVRIZBM-GOSISDBHSA-N 421.505 1.471 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1693489106 JECJICKUNLLTPZ-HNNXBMFYSA-N 402.480 1.089 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCc2ccco2)CCOC1 1696022572 DDGPQRXLIJKPRW-MGPUTAFESA-N 416.482 1.435 30 10 HDEE CN(c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1696640112 OBJKCIVHRLNVCQ-QJGXAYKQSA-N 418.523 1.250 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2Cc2ccc(C#N)o2)cn1 1696854333 JMUZEWWEPCXNMK-AWEZNQCLSA-N 407.356 1.959 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)(COC)CC1 1702067242 VWDMPRWZXDLFTQ-GCNBINEPSA-N 418.534 1.372 30 10 HDEE C#CCC1(C(=O)N2CC[C@H](N(CC)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1704617346 AZHXPVURMOTAJL-ROMHJBHXSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCCN(C)S(=O)(=O)CC 1705490682 OSIGAZODXRYYKQ-INIZCTEOSA-N 404.540 1.778 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C)CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705564450 BELCPUPPWJVRSZ-CQSZACIVSA-N 419.473 1.276 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCCN(C)CC(F)(F)F 1705616581 CKNFCEGSQGKKAC-UHFFFAOYSA-N 400.449 1.744 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705905065 IJZADFZNSXLWOI-KRWDZBQOSA-N 411.510 1.061 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)CC)n2CC2(O)CCS(=O)(=O)CC2)C1 1705915382 JYUHLBNKQIDTAS-HOTGVXAUSA-N 412.556 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cnn(CCOC)c2)C1 1705922506 NTUVDNANNFTSLL-QGZVFWFLSA-N 410.482 1.408 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)nc2)CCOC1 1710483695 OGMRBSWUFPHEEH-DNVCBOLYSA-N 418.885 1.756 30 10 HDEE COC[C@@H](F)Cn1c(C(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1712165017 SYYCOZAYCSEICV-HNNXBMFYSA-N 404.494 1.626 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C1 1712596611 VHTUBDYYESNHGI-SFHVURJKSA-N 408.466 1.235 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](F)(C#N)C1 1712617301 ZSTHHMQMUUKATE-IBGZPJMESA-N 403.414 1.779 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365248 DFAAPKDIMGUQPM-RBUKOAKNSA-N 421.611 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)C2CC2)CC1 1722445717 AWDIQAJOOPUKCU-GOSISDBHSA-N 411.510 1.069 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1722445797 DBYKBHKTDCCKKU-UHFFFAOYSA-N 416.445 1.214 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCS(C)(=O)=O 1722509531 XRKUJRYFLZDRBK-DLBZAZTESA-N 405.524 1.802 30 10 HDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722530190 BJLPOOGSSJYMQW-GOSISDBHSA-N 415.494 1.498 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)CC1 1722560163 RAEPSBQOZASBRI-INIZCTEOSA-N 424.571 1.447 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3C)n2CCNS(=O)(=O)CC)C1 1722715213 MPAIEYRSIHUSEA-QGZVFWFLSA-N 419.551 1.974 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1722814857 NAAYVLNHKZFKEO-WOJBJXKFSA-N 424.505 1.727 30 10 HDEE C[C@@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1726584782 GPAOGIWJINCAAN-AEFFLSMTSA-N 423.521 1.525 30 10 HDEE CCOCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1729164387 BEDLWSOKODZYGH-XHSDSOJGSA-N 420.514 1.814 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)cn1 1730775018 OCBDYHXMLHSFAI-UZLBHIALSA-N 421.505 1.915 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCCOC 1740556222 BVSHMSCVNOAMHU-MRXNPFEDSA-N 412.494 1.327 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1740579324 MSXQWCGEQCKCCW-GOSISDBHSA-N 413.526 1.921 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(CC)CC)nc1 1740609991 RCNLSMGPOBGQQQ-QGZVFWFLSA-N 416.551 1.539 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCOC 1740629356 KSYJGVBMWDSZCO-UHFFFAOYSA-N 421.501 1.660 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccccc1F 1740655434 BRTDTSPMVNCTAZ-KRWDZBQOSA-N 409.465 1.814 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@@](C)(CC)O1 1740678484 MYHAZCSMWBMURU-LAUBAEHRSA-N 403.527 1.948 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(C)CN(C)C1=O 1740682016 ZWVAXVFGKPAMKW-OAQYLSRUSA-N 411.462 1.238 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C3OCCO3)c2)CC1 1740700614 XDXMOAROKQBGCQ-UHFFFAOYSA-N 411.506 1.664 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1740756696 JUDZDZHZRWDILJ-OIISXLGYSA-N 420.539 1.283 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](OCCOC)C1 1740759940 FYHSOZZEJVKDSQ-MTNOOBJLSA-N 419.526 1.452 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cncn1 1740775886 IGTUVSDHJJTYOC-UHFFFAOYSA-N 400.512 1.964 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CCC)C(=O)C1 1740885713 MMRDENSYUWRMHA-MRXNPFEDSA-N 404.515 1.271 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C[C@H]1C 1740886945 YANXSFJEQLFBGG-MRXNPFEDSA-N 404.515 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC)(CC)C1 1740991326 UDGNDWBPSMUXIN-HNNXBMFYSA-N 409.556 1.847 30 10 HDEE CC(C)(C)c1csc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)n1 1741156627 DPIIMVXVNVJCNW-QWHCGFSZSA-N 415.523 1.760 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2nncn2C)CCOC1 1741726090 XEWWQQJUVARGLB-LJQANCHMSA-N 400.487 1.235 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCNC(=O)c1cc[nH]n1 1742834324 BAOWPEFOSWSKEP-UHFFFAOYSA-N 423.456 1.077 30 10 HDEE CCCNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1745788648 GINJULPCLLJBSQ-WMZOPIPTSA-N 404.515 1.658 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)C1 1748170174 HXBMCJLSJOZVGT-XMSQKQJNSA-N 424.505 1.585 30 10 HDEE C#CCCCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1748729905 FKDUACCDPUHLHV-FTRWYGJKSA-N 404.467 1.848 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H]1OC 1748892125 JBOAGIRVJHMIHN-RCCFBDPRSA-N 404.536 1.458 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)C2CC2)CC1 1749016342 BCDZQQKOOGPMKF-QHCPKHFHSA-N 422.533 1.391 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1749037552 DVQJNEHWQVRUGN-UHFFFAOYSA-N 402.524 1.902 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749229926 RAGFBSJTHUVZAA-ZACQAIPSSA-N 408.499 1.473 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1749671806 JTNUKHSXWVHGJF-CYBMUJFWSA-N 418.448 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1CSC 1749730820 RQRWPRQJXRWGBM-OAHLLOKOSA-N 410.569 1.611 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C2CC2)CC1 1749830263 HXUOKTJVQGSTAB-GOSISDBHSA-N 415.542 1.470 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1750378239 FOWBDCITHKALFF-BEFAXECRSA-N 419.482 1.698 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1ccccc1)N1CCOCC1 1760160363 ALQVKEIYRMLXCS-LJQANCHMSA-N 410.522 1.559 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1760192191 GBFAPWJAIVLKHV-JKSUJKDBSA-N 412.581 1.900 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)on1 1760215221 RYRZOZRLMHTZGN-UHFFFAOYSA-N 413.445 1.728 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1760242452 DBWWRYPLASNLEF-UHFFFAOYSA-N 419.551 1.640 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCCC1 1760243880 SZTLEUHASQBIRO-LJQANCHMSA-N 416.570 1.721 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1760380818 OOTYXVNEMVKPQZ-KGLIPLIRSA-N 408.890 1.649 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1)C1CC1 1760476268 LQHIFYKCEXYNDT-UHFFFAOYSA-N 415.586 1.581 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCNC(=O)[C@H]1CC 1760520424 MUAVUKGQFKFQDG-OAHLLOKOSA-N 402.886 1.616 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[S@@](=O)C(C)(C)C)C1 1760534779 GEAOPHQLBAAERS-OHZJNBGDSA-N 411.572 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1760554166 UBKLIOUEGGRDKD-ZDUSSCGKSA-N 420.495 1.345 30 10 HDEE CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1760686873 ANFIRNIOYPEVPI-ZWKOTPCHSA-N 417.558 1.467 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(C(=O)N3CCCC3)nnc2N(C)[C@@H](C)CC#N)C1 1761129223 BLPDYHHYSQWCLZ-ROUUACIJSA-N 417.558 1.609 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)CC1 1765561782 FEPWJFXTYSNGDI-HXUWFJFHSA-N 415.586 1.940 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1767794148 UMLIHJFBXHGMNC-UHFFFAOYSA-N 403.446 1.616 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2ccn(C)n2)C[C@@H]1O 1771490907 DRXDADFZSZQHFM-UZLBHIALSA-N 421.505 1.912 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCCO[C@H]2CCOC2)CCO1 1771536797 BZTNQWKVULBKBV-ZWKOTPCHSA-N 415.469 1.932 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)N2CCc3ccccc32)CC1 1851220920 CIWWCFVPIKDMRG-OALUTQOASA-N 401.470 1.827 30 10 HDEE CCOC(=O)N1CCCC[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852535154 RFPNUGKXTSLRHM-SFHVURJKSA-N 415.494 1.629 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CC(COc4ccccc4)C3)C2=O)CC1=O 1853650559 AXNJWWKPUSQOMF-AZUAARDMSA-N 411.502 1.549 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1CC(=O)N(C)Cc1ccccc1 1853937035 BWHPJSAFTDUQOP-KRWDZBQOSA-N 404.470 1.890 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2F)C(=O)C1 1853949046 WCMGAQPWJZIFID-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2=O)C1 1854290706 JCEDXRVWCLZADH-QGZVFWFLSA-N 411.849 1.896 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(C(F)(F)F)cc2)C(=O)C1 1854461226 OGOHNDCLXKIDPG-UHFFFAOYSA-N 403.382 1.162 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)COc3ccc(OCC)cc3)C(=O)C2)C1 1854841709 FGBXBCITRDXPJF-GOSISDBHSA-N 401.507 1.785 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)CSc3ccncc3)C(=O)C2)C1 1854956412 MOGAXIJWXGSCRZ-DLBZAZTESA-N 401.536 1.611 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2ccc(=O)n(Cc3ccc(F)cc3)c2)C1 1855707532 YSKFYOLABZNSCI-QGZVFWFLSA-N 410.449 1.870 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)CCn3cnc4ccccc4c3=O)C2)CC1 1855888548 QZLTWDKQDFCQKW-KRWDZBQOSA-N 407.474 1.397 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(CCn4cccn4)CC3)C2=O)cc1C#N 1856194227 DHMGMBFEKBQKFU-FQEVSTJZSA-N 406.490 1.122 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC(c4nnc(C5CC5)o4)CC3)C2=O)ccn1 1856229095 BYPASZVVOJINBO-KRWDZBQOSA-N 406.446 1.834 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCC(F)(F)C3)C2)C1 1856388085 AGJXQUOBPBUYBK-KGLIPLIRSA-N 404.417 1.827 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1856509610 CUSIFERQVKWVAV-MJGOQNOKSA-N 401.511 1.878 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cncnc1 1857001900 FSYPXWRGHPSAPN-MRXNPFEDSA-N 412.471 1.935 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCC(N4CCN(C)C4=O)CC3)C2=O)cc1C#N 1857112086 QEMQPRJKOBMBOP-IBGZPJMESA-N 409.490 1.440 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)(C)C)cn1CCNC(C)=O 1870446813 NQEJZCRIBOYUQD-UHFFFAOYSA-N 419.522 1.879 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccc[nH]1 1874434110 NWLWPGQLJTZNAJ-UFFVCSGVSA-N 403.512 1.666 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCNC(=O)CC2)[C@@H]1c1ccc(C#N)cc1 1891995643 XYSSTMVIEYZJOI-RBUKOAKNSA-N 400.504 1.300 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)NC3CCS(=O)(=O)CC3)s2)OC1(C)C 2197930408 HGUUSFFOEPIANZ-UHFFFAOYSA-N 401.319 1.141 30 10 HDEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243387140 ODQDLVBVUCFRKP-UHFFFAOYSA-N 406.292 1.494 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2247912632 JRWHOMZIPCAKIS-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(=O)NCc1ccccc1 2247918729 MTWDSGWVPSOVFV-UHFFFAOYSA-N 412.299 1.074 30 10 HDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247918857 RAUIUYKZYHLCAY-UHFFFAOYSA-N 420.319 1.790 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247922944 QAQWWRMHYGRXJW-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2250291313 YJCZQXFNMDDUPL-OCCSQVGLSA-N 420.319 1.742 30 10 HDEE CC1(C)OB(c2ccccc2C(=O)N2C[C@H]3C[C@H]2CN3C(=O)C(F)(F)F)OC1(C)C 2255867676 FLKLGPXOYKNHPU-QWHCGFSZSA-N 424.228 1.973 30 10 HDEE CC(C)(C)C#CCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258175174 KENLVWBEXBVEPZ-INIZCTEOSA-N 410.492 1.725 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267373583 FPHRVVLKEVIVDD-XMMPIXPASA-N 409.360 1.480 30 10 HDEE C#Cc1cccc(N(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270532189 VJGLQLMMUHDWCV-SFHVURJKSA-N 416.455 1.814 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@@H]1CCCS1(=O)=O 2281960406 ZFJKSCDFPOBCLN-NSHDSACASA-N 400.331 1.058 30 10 HDEE CCN[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282321587 ZATUTNVMLXLJDT-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC1(O)CCC1 2282325319 CVZMQIVQAHLHKZ-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CC[S@](=O)(=NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282414099 NXDZLCLPNQTFPD-RUZDIDTESA-N 405.351 1.304 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)OC1(C)C 2282489394 GCLANOMIKCPARR-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE CN(C)C1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282495620 OTEZSZJKSFJNHO-UHFFFAOYSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@]2(C)CO)OC1(C)C 2282500650 MCOMCWBHKRVTMU-QGZVFWFLSA-N 401.359 1.724 30 10 HDEE C=C(CS(=O)(=O)NCc1c(OC)nsc1OC)B1OC(C)(C)C(C)(C)O1 2282510158 VGTRHQLBTZLDHB-UHFFFAOYSA-N 404.319 1.767 30 10 HDEE C[C@H]1C[C@@H](C)C(=O)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510431 YIUWWCBIQQPZGD-MNOVXSKESA-N 400.331 1.529 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCO[C@H](CN)C3)sc2Cl)OC1(C)C 2282619344 YLMHDBPFOGSHPC-QWRGUYRKSA-N 400.737 1.937 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O 2282651891 HLJWXBVWDUFVPZ-NWDGAFQWSA-N 401.359 1.907 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282668234 DQJONPPQGINTLL-GFCCVEGCSA-N 401.359 1.989 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@]4(O)C[C@H]4C3)cc2Cl)OC1(C)C 2282827719 CFEGVOLOFXSCHX-QFYYESIMSA-N 419.761 1.846 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]3(CO)CCOC3)cc2Cl)OC1(C)C 2282830012 NXPJUEWRFOPAQP-OAHLLOKOSA-N 423.749 1.130 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCC2(F)F)OC1(C)C 2282834098 PAYCLPQCKBMSKD-JTQLQIEISA-N 408.301 1.907 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CNC(=O)C3)cc2Cl)OC1(C)C 2282835608 XGQXSRKYBICGRF-VIFPVBQESA-N 420.749 1.115 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@](C)(N)C2)OC1(C)C 2282843233 KHEYHUIUIWCMFK-KRWDZBQOSA-N 400.375 1.690 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@@H](CN)C3)c2)OC1(C)C 2282848932 UNOIZKYJKBHIAF-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE COC[C@](C)(CO)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850039 KITJKSXHVLWRMQ-INIZCTEOSA-N 405.347 1.065 30 10 HDEE COCCOCCN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853467 DENVSHDXOPQRES-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE CN([C@H]1CC[C@@H](O)CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282864203 CKCNSNBGVQPPDI-BETUJISGSA-N 401.359 1.971 30 10 HDEE C[C@H]1C[S@](=O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870717 WTGNAOIHZPNUJF-UOXLDJKESA-N 419.399 1.330 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCC2COC2)c1B1OC(C)(C)C(C)(C)O1 2282871167 CHOLCJGDRMSZOH-UHFFFAOYSA-N 401.359 1.979 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(F)c(Cl)c3)s[nH]2)OC1(C)C 2284059058 DIFLIQBJDGBDDO-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284395983 RRKFCPCREVVIAY-JTQLQIEISA-N 403.693 1.781 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CC(=O)O)C3CC3)s2)OC1(C)C 2284396890 ZLUSNQXOGCFEKY-LLVKDONJSA-N 401.315 1.579 30 10 HDEE CNCC(C)(C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288915772 RQOOVUBUMSXBKA-UHFFFAOYSA-N 403.379 1.202 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2289603200 ZHCUUBOLZPEYOL-ZIAGYGMSSA-N 405.517 1.850 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)C2(O)CC(NC(=O)OCc3ccccc3)C2)CCC1 2319402173 XLUUZQQMIPDZRG-GNZRSQJKSA-N 406.504 1.104 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365204456 YDJNLHCREMEPBY-AUUYWEPGSA-N 402.557 1.538 30 10 HDEE COC[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367788708 QDIMNNOZMXNSAE-HNAYVOBHSA-N 401.525 1.734 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCCOC)NC(=O)OC(C)(C)C 2367805177 ZDUIOCFIADUMHT-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367815697 FZLGGGTWUQJGPG-KXBFYZLASA-N 400.541 1.307 30 10 HDEE CCc1ccc(NC(=O)CS(=O)(=O)[C@@H](CC)C(=O)Nc2c(C#N)cnn2C)cc1 16893834 DDVJDQHJOWDLTI-INIZCTEOSA-N 417.491 1.625 30 10 HDEE Cc1cc(N2CCN(C(=O)CCc3c(C)nn(CCC#N)c3C)CC2)n2ncnc2n1 30866355 WKWHTAOTRUREPR-UHFFFAOYSA-N 421.509 1.441 30 10 HDEE C=CCN(C(=O)c1cnn(-c2ccc(OCC)nn2)c1C)[C@@H]1CCS(=O)(=O)C1 57238392 URPPSMYVPKNJJJ-CQSZACIVSA-N 405.480 1.185 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1 72444227 OQZIINZUCOVLRU-LSDHHAIUSA-N 407.430 1.337 30 10 HDEE N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2cccs2)c(=O)n1-c1ccccc1 102985765 FKDOGOFWHWDDOR-FEGWUIOZSA-N 423.519 1.322 30 10 HDEE C[C@@H](C(=O)NC[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)n1cnc(C#N)n1 409610473 FBTDWGWZMFMFDY-XJKSGUPXSA-N 422.411 1.919 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1cn(C)nc1C(F)(F)F 439216249 XSCVNSWWSHJEOZ-NSHDSACASA-N 408.388 1.521 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CSCc1ccc(C#N)cc1 439926670 WSWDDFRLXOTZPR-JOCBIADPSA-N 402.472 1.743 30 10 HDEE COc1cc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1C#N 442796674 GLYSEWIAMPMKBO-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCCN(S(C)(=O)=O)CC1 460556726 HPMZHHYTZKIBOX-UHFFFAOYSA-N 419.551 1.947 30 10 HDEE COC(=O)c1cc(C(C)(C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)no1 464670195 QAPWMRQQUUGWSC-UHFFFAOYSA-N 410.434 1.977 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CCC(=O)N(C)C)CC1 473211922 ZZDZAOFDLDYNRJ-AWEZNQCLSA-N 403.552 1.531 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)CCC1 477600442 KGGUEHFELPQUHB-UHFFFAOYSA-N 416.547 1.607 30 10 HDEE C[C@@]1(c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)NC(=O)NC1=O 488795737 VWGVCCSGBXQIMF-SFHVURJKSA-N 402.407 1.230 30 10 HDEE N#CC1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)CC1 490392943 JIUFIUANXFPTEB-MRXNPFEDSA-N 405.476 1.340 30 10 HDEE Cc1ncc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)cn1 504407193 DHGYEOPLGKALDH-UHFFFAOYSA-N 408.508 1.578 30 10 HDEE C=CCn1c(Cc2ccccc2C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 508828114 UCIJYLJYAICHFP-UHFFFAOYSA-N 408.506 1.291 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508843829 FPQCCCXGWMNVKK-AWEZNQCLSA-N 408.466 1.672 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(OC)cc1 509012160 PAMHOEFXRHNFHA-QGZVFWFLSA-N 421.523 1.442 30 10 HDEE COCCCN(C(=O)Cc1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 530675553 XIDGTIJCXZDHSG-UHFFFAOYSA-N 413.478 1.671 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 532980233 JTKMKKCTIQOOKS-UHFFFAOYSA-N 405.564 1.906 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)[C@@H]1CCCO1 535192535 OYJYJOOFXADKJV-IRXDYDNUSA-N 406.508 1.532 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCO)CCOCC(F)(F)F)cc2C1=O 535292175 GIQZZWFIMIWCPW-UHFFFAOYSA-N 400.353 1.482 30 10 HDEE Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1S(C)(=O)=O 536269511 RRUFSXIZYBCETJ-ZDUSSCGKSA-N 421.500 1.576 30 10 HDEE C[C@H](C(=O)N(C)CCCc1[nH]nc(N)c1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 538255897 UFLJDOAOGHDHLU-ZDUSSCGKSA-N 418.523 1.309 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C)N2CCN(c3cccc(C#N)n3)CC2)cc1OC 545504526 RMSVGIHKXHFWPG-QGZVFWFLSA-N 423.517 1.840 30 10 HDEE Cc1nccc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 546816608 YJNJUHWIQWELHP-UHFFFAOYSA-N 413.503 1.825 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)NC)C1 566691777 NXEPJDPOFIIAPN-QGZVFWFLSA-N 401.467 1.490 30 10 HDEE COc1ccc(CCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)c(Cl)c1 566886366 JQXTVHSCXBGBNJ-UHFFFAOYSA-N 407.879 1.857 30 10 HDEE N#C[C@@]1(F)CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 615630645 CLMOUZUIUQCHLK-KDOFPFPSSA-N 409.439 1.042 30 10 HDEE CCN(CC)C(=O)C1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725771606 NHLPCBCTPBGLLO-JOCHJYFZSA-N 411.506 1.863 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(OC)c1 732651038 RDBMTDXGXIDBPV-VQIMIIECSA-N 412.490 1.507 30 10 HDEE N#C[C@H]1CN([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCN1C1CC1 732668491 GVJSPQYRBZUBNT-HOTGVXAUSA-N 403.280 1.753 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732696478 GNSCFTHVZISQGB-HNNXBMFYSA-N 420.539 1.207 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CC(C)C 735069665 ZBSSLSMJXHWDPQ-UHFFFAOYSA-N 401.536 1.202 30 10 HDEE COc1ccc(COC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)cc1C#N 747023130 ZLXHCFAKPMSESW-UHFFFAOYSA-N 408.407 1.648 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C(=O)N(C)C)cc2OC)cc1C#N 747495518 SZLZZNODFJEICY-UHFFFAOYSA-N 410.430 1.532 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 750640366 HAOGHDWBBSTBKC-HYEKCJMVSA-N 417.853 1.271 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C)CC2)cn1 751924695 CWMNDGXZVLIIMT-OAHLLOKOSA-N 419.551 1.890 30 10 HDEE CCc1c(C(=O)OCC(=O)c2cccc(C#N)c2)cnc2c1c(=O)n(C)c(=O)n2C 754351560 SIFZJZKQYLYCJD-UHFFFAOYSA-N 406.398 1.106 30 10 HDEE COC[C@](C)(CCO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 758226843 QTCLQJKGTOCFLA-SAGAUJLNSA-N 412.512 1.408 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)ccc1-c1n[nH]c(C)n1)[C@@H]1CCS(=O)(=O)C1 767891447 DNMUXKMEKCXMKO-OAHLLOKOSA-N 401.492 1.149 30 10 HDEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 769854166 KOBDCZJQNXOIHK-ZDUSSCGKSA-N 423.310 1.156 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 774193837 ABYYRPBMRDIYQZ-MAUKXSAKSA-N 409.939 1.998 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)O[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 778742442 WPUUUOXKJHPHES-GOSISDBHSA-N 413.455 1.819 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1Cl 779877324 MIJUYXYCYNUOIW-LLVKDONJSA-N 408.885 1.920 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2 780280007 BVUPOBOHLOBDQR-OAHLLOKOSA-N 418.494 1.721 30 10 HDEE C#Cc1ccc(C(=O)N2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)nc1 780561292 LLRVZMXRZDDUSI-LJQANCHMSA-N 406.490 1.058 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3cc(O)n4ncc(C#N)c4n3)cc2C1=O 781867278 QLHOGBUTMCLYJS-UHFFFAOYSA-N 403.354 1.446 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCOC3=O)cc2)n1 789176052 ZRDRBCOEZOVRNT-UHFFFAOYSA-N 411.462 1.831 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)O[C@H]3CCCN(c4ccc(F)cc4C#N)C3)cnc21 789479709 PCNTXAJVVVLSDD-HNNXBMFYSA-N 410.409 1.353 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(Cc3ccccc3)C(=O)CC2)n1 790106104 RDTOQWKYTJJNJG-UHFFFAOYSA-N 407.474 1.670 30 10 HDEE Cn1nccc1C1=CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 807109100 AOBZFNDCKKVTLQ-HOTGVXAUSA-N 400.483 1.978 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC2(C1)Oc1ccccc1O2 808471373 GVEYCUHVAGHONJ-UHFFFAOYSA-N 413.455 1.515 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 812267373 DSIBOHRCEUOBAY-FUHWJXTLSA-N 418.519 1.462 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 812469645 MEJUOTPGIUNCTJ-PLNGDYQASA-N 400.483 1.866 30 10 HDEE C#CCONC(=O)c1ccc(NC(=O)C[C@@H]2SC(N3CCCC3)=NC2=O)cc1 812780853 AAENQCACLIUGAU-HNNXBMFYSA-N 400.460 1.404 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)c1 816808337 KOTBWAOLLAUYBL-MRXNPFEDSA-N 412.533 1.028 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)C2)n1 856587847 TWNSFGPNVMPWOY-QGZVFWFLSA-N 410.883 1.915 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)n1 1084617489 NTXVCDRXAQFLHP-UHFFFAOYSA-N 420.480 1.345 30 10 HDEE CCN1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1136660617 WVFHDKVBTSOBKZ-UHFFFAOYSA-N 420.355 1.511 30 10 HDEE Cc1c(C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cnn1CCC#N 1136817786 AJJRGRRCOFVTJZ-UHFFFAOYSA-N 408.506 1.964 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1149909162 SBTUOERNFRPBTL-QZTJIDSGSA-N 409.527 1.243 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)C(F)(F)F)c1 1152829362 BQEQYAMNYODDRS-FUHWJXTLSA-N 424.423 1.459 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(=N)n(C)[nH]2)cc1B1OC(C)(C)C(C)(C)O1 1155198627 YPMMXVWHFVKKFK-MRXNPFEDSA-N 411.315 1.813 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CN=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12 1163748092 ABAYUAWDENGROO-HXUWFJFHSA-N 406.408 1.973 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@H](O)CC1(C#N)CC1)C2 1176121261 GSRQXHBJEPBSTJ-DXEZIKHYSA-N 407.511 1.819 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1177762850 CKKBTZHKTDGTQE-DBWCEAHUSA-N 409.479 1.865 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1177762851 CKKBTZHKTDGTQE-FAGJFJLWSA-N 409.479 1.865 30 10 HDEE CN(C)C(=O)[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1191300996 DDZVQXWSRRZFHK-SECBINFHSA-N 404.261 1.559 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C(=O)NCC(C)C)CCCC2)c1 1210574767 GBCIIFRFPJUYQF-UHFFFAOYSA-N 407.536 1.966 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCS(=O)(=O)CC)cc1 1214687053 MCTCIXIQPFTVJG-UHFFFAOYSA-N 403.526 1.439 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1)[C@H]1CCCO1 1219299492 MAGFVAAFKIBFLT-XJKSGUPXSA-N 410.396 1.944 30 10 HDEE COc1ccc(Br)c([C@H](CO)N(C)C(=O)NCCn2cnc(C#N)n2)c1 1228007489 DZJGYBUEXXYNJS-AWEZNQCLSA-N 423.271 1.296 30 10 HDEE C=C[C@H](COC)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1235201403 BZRVWUOPBRJIPY-QXSJWSMHSA-N 424.498 1.411 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H](O)COc1ccccc1Br)C1CCOCC1 1253347768 IFEKCSUXEAPCPA-GOEBONIOSA-N 411.296 1.916 30 10 HDEE CC(C)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)N1CCOCC1 1264123956 HCAOADBHPSTEDD-OAHLLOKOSA-N 404.898 1.792 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C)CC1 1265140505 SNMFDXZTSAAPLM-IEBWSBKVSA-N 401.507 1.904 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1269736011 HVNIICGOTGRRHS-UQTLAFAOSA-N 400.523 1.096 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2SC)ccc1F 1277163567 SPVKFDTULVPZMH-FMKPAKJESA-N 402.513 1.929 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286327786 KFUOUNSIHCCKGP-GOSISDBHSA-N 421.505 1.271 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CC 1286420238 ASEVLZKQOMGGOW-OAQYLSRUSA-N 414.531 1.973 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@]1(C)CN(C2CC2)C1=O 1286466150 WRHTWOIKYKKPCP-UTKZUKDTSA-N 401.511 1.617 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCc2nccs2)CC1 1286492128 COTRXMWBURLFNW-INIZCTEOSA-N 414.535 1.447 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286635336 PSHQLAHBAWWFGN-WMLDXEAASA-N 418.947 1.695 30 10 HDEE C=CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1286686141 AWKCLDQXSFHLKO-HNNXBMFYSA-N 421.505 1.860 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1286706422 OCEADLDATHQVSD-GOSISDBHSA-N 418.542 1.459 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1OC)C1CC1 1286732275 OUWMFJWMPNUKEE-DZKIICNBSA-N 413.544 1.095 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1286782833 ASCCGCMPMHSXCI-HNNXBMFYSA-N 419.489 1.462 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1286950592 YNQZUCOKTNYEHZ-LJQANCHMSA-N 423.521 1.648 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1288195209 RSYDQCMXWBDRCR-ZWKOTPCHSA-N 421.505 1.446 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](C)N2CCOCC2)cs1 1290388770 XJVQQWCNIJOSKI-GJZGRUSLSA-N 403.556 1.950 30 10 HDEE C[C@H]1CN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1291259831 YUYUFSCXHWQPDT-YWMAMYRUSA-N 402.499 1.618 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300412845 IQYUYJCHIATYAM-QGZVFWFLSA-N 419.493 1.209 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCO[C@H](C)C1 1300519880 CNCZYNBMGZHBBK-QZTJIDSGSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@H]1OC 1300557413 SUAAYJQSEUYQGO-GVDBMIGSSA-N 407.540 1.166 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC2CCN(C(=O)OC)CC2)CC1 1300696349 ZBUNBEPZCVOCQQ-UHFFFAOYSA-N 423.521 1.574 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCOC(C)(C)C2)CC1 1300700686 ULTWCUOQASCHEW-LJQANCHMSA-N 416.570 1.038 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1300948947 JLDRUDYUFCNXSO-ZFWWWQNUSA-N 400.487 1.380 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1301425128 RNLIOOSRLGKDLP-QGZVFWFLSA-N 415.542 1.981 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)CC(=O)NC(C)C 1301502422 HUMCDFJVBKLKEX-UHFFFAOYSA-N 420.464 1.410 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)=O)CC1 1301618330 OZOUHTIIYLAPRI-UHFFFAOYSA-N 406.556 1.378 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H](O)C[C@H](O)c3ccccc3)CC2)cc1 1307571068 ABAUMLZMCGSOFY-CTNGQTDRSA-N 415.515 1.349 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 1312998648 IXJCRJMLKKVAJS-SFHVURJKSA-N 404.536 1.621 30 10 HDEE CCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1314493953 NBGDWRNDPIOYKL-JQHSSLGASA-N 404.515 1.215 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N(C)C 1315652831 AHMSMQJVIYFVBJ-OAHLLOKOSA-N 414.466 1.073 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1OC 1316285254 NVHJOFBBGLMJQI-TWOQFEAHSA-N 416.457 1.896 30 10 HDEE CC(=O)N1CCC(NC(=O)Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)CC1 1321292703 YRILPUMINKAVDI-UHFFFAOYSA-N 400.866 1.962 30 10 HDEE COC(=O)[C@@H](Sc1nnc([C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1329708322 CFTJDBQNJJKYDS-KGLIPLIRSA-N 406.489 1.595 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1358943304 DGGCRBXDRXKIJA-WMZOPIPTSA-N 408.466 1.042 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1CC(=O)N1CCN(c2ccccc2)CC1 1358945679 QBGCGBZEXDESCY-UHFFFAOYSA-N 403.490 1.691 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1358962023 IXLPMQXAUDNXJG-ZWKOTPCHSA-N 424.567 1.963 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1358966466 PLWJYEYRXKWAFX-INIZCTEOSA-N 421.567 1.463 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCCC 1359009502 RCIPZQKWGYMRDB-UHFFFAOYSA-N 410.526 1.438 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC1 1359011749 KLWWUVPYNBBVNR-UHFFFAOYSA-N 400.552 1.958 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(C)CCOCC2)CC1 1359031262 VXDBHNFBUGTVAG-QFIPXVFZSA-N 417.554 1.502 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2N(C)CCCC2(C)C)CC1 1359035822 FIACTQXYBXLDBR-RTBURBONSA-N 400.571 1.658 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1359300041 SBBVVVPTIGFFMV-NWZZKEMCSA-N 419.526 1.595 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cccc(C(=O)N(C)C)c1 1359465520 FDWWNZXQGIQYPF-HNNXBMFYSA-N 411.510 1.762 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC)cc2OC2CCCC2)CC1 1443355735 JSUOWGHEPKXCPN-UHFFFAOYSA-N 413.518 1.914 30 10 HDEE CN(C)c1cnn(C2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)c1 1450277106 LDMDLFVAKHXOFV-UHFFFAOYSA-N 419.482 1.863 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(C)C 1461213377 BNLVZQRUHGGWLX-KRWDZBQOSA-N 409.508 1.975 30 10 HDEE C#CC[C@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1461932192 NDEXRAWVSFRWKW-MRXNPFEDSA-N 414.474 1.910 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H](CNC(=O)OC(C)(C)C)OC)cc(OC)c1OC 1464573045 KMUJDMQNJNYIIT-BBRMVZONSA-N 423.466 1.933 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(C(=O)OCC)cc(S(C)(=O)=O)c1)C1CCOCC1 1465807516 CAWXMRXEKCSFEX-KRWDZBQOSA-N 408.476 1.817 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1nccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)n1 1467553440 VVYLEMZNHSACNT-ZDUSSCGKSA-N 404.471 1.625 30 10 HDEE C#C[C@@H](NC(=O)NCc1nnc2c(=O)[nH]ccn12)c1ccc(Br)cc1 1470664129 WFDPOODNLXMTJF-GFCCVEGCSA-N 401.224 1.354 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)nc21 1472603215 YZVCGVSYHUKDRL-UHFFFAOYSA-N 403.258 1.951 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478841063 OPWNSXLRWVXIPQ-RIFZZMRRSA-N 404.536 1.572 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1494107931 PXAHKJZOGQEELG-CZUORRHYSA-N 416.432 1.908 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)c(F)c2)CCOC1 1502727831 CYCQUPHTAMWLAM-MGPUTAFESA-N 419.432 1.985 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@@H](C)O1 1505282493 IBNJIVJQEUAZLO-GASCZTMLSA-N 420.477 1.583 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1507606598 RKVJVTSVCCIQRT-UHFFFAOYSA-N 403.508 1.190 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507633387 DHYVZDDAVJHYKQ-CRAIPNDOSA-N 405.568 1.340 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCC[C@H](O)C1)[C@H]1CCS(=O)(=O)C1 1507636184 ZXLLQVUZKDOXJI-SQNIBIBYSA-N 406.552 1.408 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1F 1507642792 MTAWWWUISXDDHV-CYBMUJFWSA-N 423.901 1.802 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)cc1 1507667574 OZVVCHQVJMQNJS-IBGZPJMESA-N 404.474 1.699 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@]2(C)COCCO2)n1 1507717812 ZDKDZFPSMBIDOO-OAQYLSRUSA-N 414.510 1.444 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCOC(C)C)CC1 1507718097 BFTCAGVFKRLQSH-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@@H](O)C1 1507773584 UEIAPDOYUSRJRK-WOCWXWTJSA-N 406.552 1.723 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C 1512408212 OPBGWGCUUAMIMX-CPUCHLNUSA-N 407.478 1.897 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 1517626278 KUMNAVNRLROFBG-MRXNPFEDSA-N 418.523 1.227 30 10 HDEE CO[C@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1517801443 PKYTXWXLLCZNEO-HUUCEWRRSA-N 410.400 1.960 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)NC1CC1 1519438653 XCQDDZWLSDBIRE-GZRFBZBPSA-N 420.489 1.503 30 10 HDEE COCC(C)(C)N1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1526043701 YBPCXCMGKQIQCQ-UHFFFAOYSA-N 408.524 1.061 30 10 HDEE Cc1ccn2ncnc2c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1526817255 FWYZPTRVUXGUEM-HNNXBMFYSA-N 403.402 1.753 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCOc1cccc(I)c1 1535417911 UUBSLWUVGSWUBC-UHFFFAOYSA-N 416.215 1.975 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3nc(-c4ccc(Cl)cc4)no3)C[C@H]1CS(=O)(=O)C2 1536181012 ZMXHMQLQPWCMNF-UGSOOPFHSA-N 420.878 1.719 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCN1CCCS1(=O)=O 1538993478 LVLSMDJJFQIDTD-INIZCTEOSA-N 424.530 1.987 30 10 HDEE C#CCN(c1nnc(C)n1CCN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539206798 WBAPULYHBDPUTD-HNNXBMFYSA-N 411.528 1.080 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1 1539323159 DHBYLHLHCKFIBY-LQWHRVPQSA-N 418.563 1.991 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)(F)F 1539330992 FWKNCFOKGDZEDN-UHFFFAOYSA-N 421.427 1.281 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCn2ccnc2C)CC1 1539427954 KJLMGKCPAXXXGX-UHFFFAOYSA-N 424.553 1.255 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 1539468705 HMJKRNGPWUSERV-FQEVSTJZSA-N 412.513 1.994 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCNC(=O)CC1 1540000099 YRCLNOHPMJNMBE-UHFFFAOYSA-N 417.539 1.531 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540012990 GTZVABYQXWPWKQ-ROUUACIJSA-N 402.543 1.524 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(C)n1 1540121232 ISOZMERUFBPQSQ-QGZVFWFLSA-N 417.477 1.470 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@](C)(C(=O)NC)C1 1540868001 ORFNOEFLTXTGEM-FQEVSTJZSA-N 400.458 1.349 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCc2oncc2C1 1540875563 PQSNHQAZPXSVIJ-UHFFFAOYSA-N 412.425 1.849 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nncn2CC)C1 1540884309 NDXYHGCTJXUMCH-UZLBHIALSA-N 417.514 1.371 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)(F)F 1541664301 CGHHVSVLNOAFKE-INIZCTEOSA-N 415.420 1.225 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@](C)=O)CC1 1546532175 BQHIKYDSSDWHBT-MMEWPQADSA-N 414.539 1.128 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C1 1554531425 FVBVBPPUZQVUBH-VQIMIIECSA-N 424.505 1.537 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1555361499 ADDMMVQSCOLDPX-INIZCTEOSA-N 403.508 1.724 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc(Cl)cn1 1555635712 DCOOUKSYRIAJED-DYVFJYSZSA-N 411.869 1.994 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1nccn1C)C(F)(F)F 1558866082 FWURSZIDACLSSV-GWCFXTLKSA-N 415.397 1.378 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(CC(=O)Nc3ccccc3)CC1)C2 1565246410 BGYUHKVEYIVHPV-OAQYLSRUSA-N 403.486 1.991 30 10 HDEE COc1ccc(CN2CC[C@@H]2C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1566409506 GIYJYZBEJLMMSG-OXQOHEQNSA-N 406.490 1.668 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2[C@@H](CNC(=O)OC(C)(C)C)C2(F)F)CC1 1568995338 PQSHGDPWBJIQKJ-VXGBXAGGSA-N 401.410 1.698 30 10 HDEE CO[C@@H]1COCC[C@@H]1N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1583481971 QFWCLQSNCMPNDV-YESZJQIVSA-N 400.435 1.026 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1586078627 GSQYTYUGPKDMKV-AWEZNQCLSA-N 414.487 1.154 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1587697148 KRQRLTOPOZLSMV-KRWDZBQOSA-N 413.526 1.358 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1587861022 FQIQIUSDFDOKMO-SJORKVTESA-N 421.567 1.336 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(SCC)c1 1588639064 YXNMXVSUYRNCRO-MRXNPFEDSA-N 414.535 1.871 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1589382860 OIIFGMLPAMZOEY-MRXNPFEDSA-N 404.272 1.503 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCc2nn(C)c(=O)cc2C1 1594820122 UPUQMQFWUNUEJT-UHFFFAOYSA-N 421.505 1.513 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCCc2cnn(C)n2)C1 1595737647 FPNMRGLLKILXGA-LJQANCHMSA-N 408.510 1.807 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(CC3CCCC3)n2Cc2ccc(C#N)o2)CCO1 1596666940 NIRJXBNPGAJVQB-LJQANCHMSA-N 412.494 1.865 30 10 HDEE CC(C)CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1607195208 QBVFOTHKLGTPHL-QGZVFWFLSA-N 404.515 1.696 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1611614740 FBSCRGSHQZSPTQ-BRWVUGGUSA-N 401.515 1.080 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1Cc1nncn1C)[C@@H]1CCSC1 1617779626 BZSJVXJDCPWYNY-OAHLLOKOSA-N 410.507 1.847 30 10 HDEE CO[C@@H](CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1)C(F)(F)F 1618957757 YPPZGCQDSVUZHZ-AWEZNQCLSA-N 408.384 1.720 30 10 HDEE O[C@H](CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(O)CCOCC1 1620633645 WZVNIBQTBTUXFK-OPRDCNLKSA-N 413.305 1.992 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NC[C@]2(CO)COCCN2C)cc1 1622964675 MPYUBVBZYZXJHA-NRFANRHFSA-N 402.495 1.315 30 10 HDEE CN1CCN(C(C)(C)CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1627123537 HTZQTNUHHGNBTC-INIZCTEOSA-N 417.941 1.707 30 10 HDEE N#C[C@@H](CO)NC(=O)c1nnn(-c2cccc(Br)c2)c1C(F)(F)F 1627544440 WKRFDKBLHCIBIM-QMMMGPOBSA-N 404.146 1.663 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCC[C@H](S(=O)(=O)N4CCOCC4)C3)ccc12 1631396865 BYDCTLSLXIPTHE-INIZCTEOSA-N 402.476 1.306 30 10 HDEE C=CCNC(=O)CNC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1631619124 GIVYIGCLBQGDQF-UHFFFAOYSA-N 414.503 1.167 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cnn(Cc2ccccc2)c1N 1631743996 AFRAVQIMFFBHKS-OAHLLOKOSA-N 402.462 1.526 30 10 HDEE CCOC(=O)Cn1nc(C)cc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1631780473 VPWMVEROGZLZMQ-UHFFFAOYSA-N 408.411 1.443 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCCN3C(=O)CCC3=O)CC2=O)cc1Cl 1632597732 HZKBOGWFPGJKAM-CYBMUJFWSA-N 402.838 1.220 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1 1632966790 YMNVBMRRGRQCJL-HOTGVXAUSA-N 416.330 1.709 30 10 HDEE CNC(=O)CC1(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 1633686454 DXUMJLIGVVZMQS-HNNXBMFYSA-N 420.535 1.428 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1 1636330572 IEKPDLLVSDEYEY-UHFFFAOYSA-N 422.486 1.256 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1 1637124204 HAOMHUAKVHEWFN-MISYRCLQSA-N 402.516 1.860 30 10 HDEE CC1(C)Oc2ccsc2[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1O 1637705929 CTDYHXHTZOBRLE-WBVHZDCISA-N 421.500 1.287 30 10 HDEE C#CCN(CC(=O)NCc1ccc(OCC(F)(F)F)nn1)C(=O)OC(C)(C)C 1640236739 OHAGLHXSGPSQIX-UHFFFAOYSA-N 402.373 1.904 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cc(F)ncn3)CC2)cc1 1641162014 VZBKWYBKJLITOV-UHFFFAOYSA-N 405.455 1.042 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2cnccc2C#N)CC1 1641698012 CSHFZGVNPPFEFY-UHFFFAOYSA-N 419.532 1.154 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1643705882 GMYWTCDBJDDNQL-UHFFFAOYSA-N 410.467 1.288 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCN(C)C)cc1C(=O)N[C@H](CC#N)C(F)(F)F 1645010501 XKGRIQDRFYDUFX-OAHLLOKOSA-N 420.457 1.799 30 10 HDEE CCc1ccc(C#CC(=O)Nc2cccc(S(=O)(=O)Nc3nnn(C)n3)c2)cc1 1647845997 JOUAOBPDXLTGSI-UHFFFAOYSA-N 410.459 1.564 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 1648076561 KIVARFFCPYUVQG-CQSZACIVSA-N 412.368 1.681 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1648619427 KHRGMYMUWGHKQB-AUUYWEPGSA-N 414.487 1.992 30 10 HDEE C#CCCN(CCOC)C(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1651164143 GDEUEDUKGZPQDN-LUKYLMHMSA-N 408.495 1.672 30 10 HDEE N#Cc1cncc(CNC(=O)C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)c1 1652271259 DTIGMNYQQBTCAV-UHFFFAOYSA-N 420.441 1.949 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2ncc(Br)cc2C#N)CC1 1655258347 OJXHZMYGBMCHHP-UHFFFAOYSA-N 403.302 1.204 30 10 HDEE Cc1cc(C#N)c(=O)n(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 1656640886 BWZPJCKIIRZPNC-UHFFFAOYSA-N 414.487 1.842 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCC2(CC1)C(F)(F)C2(F)F 1659292471 JLXICKRKAJLRSB-UHFFFAOYSA-N 407.330 1.832 30 10 HDEE CCOC(=O)[C@@](C)(O)CNS(=O)(=O)c1cc(Br)c(C#N)cc1F 1663286321 GPBLAJVNXPADIU-ZDUSSCGKSA-N 409.233 1.052 30 10 HDEE C=CCOc1c(Br)cc(CNC[C@]2(CO)COCCN2C)cc1OC 1663293009 XBRSAMOJHJZSTN-SFHVURJKSA-N 415.328 1.805 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)C1 1665457300 MSFONWRKENGRPM-FDMDGMSGSA-N 422.503 1.266 30 10 HDEE CCOc1ccc(Br)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1668192633 IFYNVAOLYCRLMA-UHFFFAOYSA-N 422.239 1.803 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H](CC(N)=O)c3ccccc3)C2=O)cc1 1671576015 AZTAOGSGRRSPFC-RTBURBONSA-N 405.458 1.970 30 10 HDEE C=C[C@@H](C)ONC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1674081188 OTNRPSLYECTLAN-CYBMUJFWSA-N 413.496 1.662 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1682373583 LCJODNMRNIOOFP-NVXWUHKLSA-N 423.514 1.120 30 10 HDEE COc1ccc(CNC(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1C#N 1687437840 MPVPEMHAUKGLLY-UHFFFAOYSA-N 411.340 1.391 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1689842536 CKRZUUVLFRNTNG-ZDUSSCGKSA-N 405.480 1.071 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC=C(Br)C1 1689913565 QLCFKRZTGDLQHY-LBPRGKRZSA-N 416.345 1.791 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1689986857 YHCIGSYMGIRJIJ-MRXNPFEDSA-N 414.491 1.255 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c(c1)CCO2 1690045340 JQXVGEONZHZABU-IBGZPJMESA-N 403.486 1.870 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2cnn(C)c2)CC1 1690122304 NAQUTRCVAXHWJQ-UHFFFAOYSA-N 404.522 1.770 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCS(=O)(=O)NC(C)C 1690208106 YITPKDCJRSOIFF-HXUWFJFHSA-N 416.551 1.584 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNC(=O)C(C)C 1690243052 GTFNSEYGCLHUFH-AEFFLSMTSA-N 415.542 1.868 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1CCC(=O)N1CCOCC1 1690615501 HVKGXSIUZCYSAC-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC(C)C)CC1 1690667706 DWBATIXACVKZGN-UHFFFAOYSA-N 401.515 1.122 30 10 HDEE C=CCN(CC=C)C(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1692123716 BXJHGFGTFLCGSB-YENHRIDLSA-N 401.551 1.971 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1692660985 FBTDRHVCZJGAFE-INIZCTEOSA-N 421.505 1.947 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)C1 1692849257 BGWXDBPITIZSGO-XMSQKQJNSA-N 424.505 1.714 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CCC(=O)N2CCOCC2)cn1 1696850806 ICYDFIMKURGPMO-UHFFFAOYSA-N 412.498 1.058 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1696891848 LHQDSKQVAXIGPO-JKSUJKDBSA-N 424.461 1.703 30 10 HDEE CS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1698306436 GOJCSSUZWFBFQT-UHFFFAOYSA-N 423.502 1.820 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCS(=O)(=O)CC1 1705486474 FYNFOZJOQNCIMR-HNNXBMFYSA-N 413.503 1.214 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1705551051 FOTWAQIUZYLGQN-KKSFZXQISA-N 419.526 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1705552011 UMUXCYDUCMHFFU-KRWDZBQOSA-N 421.498 1.176 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCc2ccccc21 1705601143 ZMLDTBFGJIXDME-DEOSSOPVSA-N 417.513 1.697 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCOCC2CCOCC2)CC1 1705637844 OCLVJTSENAJMCX-UHFFFAOYSA-N 424.549 1.929 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1705674882 TYAIQXZJYFAYQL-YLJYHZDGSA-N 421.567 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOCC2(CCC2)C1 1705936125 KKZDHGHKGSELLI-INIZCTEOSA-N 410.540 1.390 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705946045 XVAOEFUBUDWFKD-HOTGVXAUSA-N 406.556 1.995 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1706201407 LKEZYRFCYWUDTO-QGZVFWFLSA-N 411.510 1.884 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1710897555 FQOMAKNTBBKLMZ-UHFFFAOYSA-N 415.479 1.380 30 10 HDEE CO[C@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1711622137 AVMCVOCIWCUSOP-KSSFIOAISA-N 404.858 1.528 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1712693155 KXDMOSYFJYOFTG-UHFFFAOYSA-N 412.475 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1722294410 HADFNIDBHNDDFX-XIRDDKMYSA-N 400.504 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccsc1 1722296939 WEDDABWSAPTIFR-IYOUNJFTSA-N 408.549 1.607 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722344934 URGKFODOIJMHNB-QFIPXVFZSA-N 411.506 1.796 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1722365148 KWFOAZKZZOYFBW-DOTOQJQBSA-N 421.592 1.507 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2CCSCC#C)CC1 1722449678 XMGGFHCGKYLBQC-UHFFFAOYSA-N 422.558 1.596 30 10 HDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722578904 CIBLTANAONVGGX-HNNXBMFYSA-N 420.926 1.892 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1722683014 XXDIOLSKBXUKGX-CABCVRRESA-N 413.544 1.096 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCC(=O)N2CCOCC2)C1 1722714014 FNPZNWSBUXHGNM-IBGZPJMESA-N 411.506 1.975 30 10 HDEE C[C@@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N(C)[C@H](C)CC#N)CCCO1 1726732903 AHSJIKWOFXWBNB-IAGOWNOFSA-N 400.531 1.918 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN2CCCO)CC1 1731185959 NMBXHBLQWJZUKG-RBUKOAKNSA-N 402.543 1.759 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CCO1 1731189545 MHTURRZCNXDPNA-SJORKVTESA-N 402.499 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1(COC)CCCC1 1740532397 FNDXEJBKQQSONS-JKSUJKDBSA-N 411.572 1.943 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740547140 PGAFQPVEDHLHEO-HZPDHXFCSA-N 402.524 1.530 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1740617443 RDIDKORBIRUIRQ-SFHVURJKSA-N 402.520 1.855 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCCN2CCCC2)CC1 1740695156 GZQJEUFNFUTHFD-UHFFFAOYSA-N 408.554 1.756 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1740795222 QCVIWSRFKYIORN-GOSISDBHSA-N 403.527 1.823 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCN(C)C2)CC1 1740842963 SABBTWZYKPGCIL-BBTUJRGHSA-N 405.543 1.471 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1741007291 WIUZVMLXYKABHP-CQSZACIVSA-N 401.558 1.130 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@]1(C)COCCO1 1744696539 FHPANXLBWNNKAX-YWZLYKJASA-N 412.498 1.023 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)NC 1747245626 WDGFGMXSJWTQOA-SJORKVTESA-N 418.523 1.107 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1748751027 APBRGILAAWZILZ-MRXNPFEDSA-N 424.505 1.737 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1748815275 OBXNFSURTQJENK-FXUDXRNXSA-N 405.524 1.217 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@](C)=O)CC1 1748857988 IZXXNRYZMXTHPD-LBEKAKSKSA-N 410.499 1.775 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1749020306 OWELPYDBHCLBQB-MRXNPFEDSA-N 415.567 1.585 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749220685 NRXDFILSPIBXNE-MRXNPFEDSA-N 420.539 1.451 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749249493 HLQQIQZOZLTDTB-CYBMUJFWSA-N 416.873 1.234 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cc(C)no1 1750031521 WQIJEZPMXQWIDT-RDJZCZTQSA-N 415.498 1.523 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1750138791 CDKYWMHDSIILLP-AVYPCKFXSA-N 420.489 1.490 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCN2CC=CCC2)cc1 1750383297 SEKVKBRTTAMEHT-LJQANCHMSA-N 405.506 1.780 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)N1CCOCC1 1760168522 FQRUAMTYZFVXAP-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H]1COCCO1 1760174249 JEQIGIUMQJCJBB-CVEARBPZSA-N 421.498 1.071 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)CC)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1760194506 JZGFJFIBRNMSJI-INIZCTEOSA-N 406.490 1.128 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)CN2CCCC2)CC1 1760382698 WPCNJMMQWHZLNK-SJORKVTESA-N 410.588 1.777 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1760468750 GMVJTVMDNZVYSS-KRWDZBQOSA-N 400.527 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCOC[C@@H]1C 1760514648 CPWAXFVCIOQEPY-NSHDSACASA-N 409.288 1.563 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1760515679 FTTOWGDHHRLMGR-NVXWUHKLSA-N 401.515 1.888 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1760528549 GMWMWKHFRMKBGJ-OAQYLSRUSA-N 420.558 1.153 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760559160 JUBJXNJJOWKFFB-INIZCTEOSA-N 420.583 1.927 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC1(O)CCOCC1 1763098349 FDHKXOLWNNHWOK-UHFFFAOYSA-N 411.510 1.365 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(C)COCCO2)CCOC1 1765846801 AVDHFHFCWPBLQY-NHCUHLMSSA-N 419.526 1.866 30 10 HDEE CN1C[C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCC(C)(C)O)CCN2C1=O 1769053775 GLMXOBACZWGJMX-KRWDZBQOSA-N 409.494 1.534 30 10 HDEE CNC(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1769319299 CUVBRPHFNYDPTB-KGLIPLIRSA-N 402.430 1.422 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCN(C)C1 1770013983 DSOOHOMPOFHXNA-LSTHTHJFSA-N 406.531 1.199 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1770108021 SHZQHQDEEGDUEI-IBGZPJMESA-N 412.494 1.585 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)CC1 1848608975 KDBDWHPFJXZFLL-UHFFFAOYSA-N 402.451 1.605 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CC(=O)NC1(C)C 1849747753 KSMZIEFWHPJNMZ-RBUKOAKNSA-N 416.518 1.953 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)CS(=O)(=O)c2ccc(F)cc2)CC1 1850254068 POJYRBDKWFCBRG-UHFFFAOYSA-N 416.478 1.899 30 10 HDEE COc1ccc(-c2cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)no2)cc1OC 1851807408 PVOVUSNSRXWLJZ-UHFFFAOYSA-N 420.429 1.983 30 10 HDEE CN(C)C(=O)[C@@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1851834857 XYHHOCHXNPYICG-NRFANRHFSA-N 421.501 1.490 30 10 HDEE CC(C)N1CCN(c2cc(NC(=O)Cc3cc4c(cc3C#N)OCO4)ncn2)CC1 1852310516 ORCVEJVXRKCWLU-UHFFFAOYSA-N 408.462 1.789 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)NC1=O 1852400911 LRFHKLXGJMBQAO-CQSZACIVSA-N 404.426 1.527 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852442941 UYAFJDWEKFTEQR-UHFFFAOYSA-N 405.354 1.816 30 10 HDEE CC(C)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cnc3c(c2)c(C#N)cn3C)CC1 1852828764 ZVKSNVPUBPPGRQ-IBGZPJMESA-N 408.506 1.602 30 10 HDEE COCCn1c(C(=O)O[C@H]2CCc3cc(C#N)ccc32)cc2c(=O)n(C)c(=O)n(C)c21 1853041105 ZPZUZOSGJVLUDH-SFHVURJKSA-N 422.441 1.401 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCOC4)C(=O)C3)C2)c(F)c1 1854195239 CCRGNMIOJNBPHD-OALUTQOASA-N 414.481 1.369 30 10 HDEE CCOc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1 1854405075 ZDMROGNJBFQFGS-UHFFFAOYSA-N 419.503 1.926 30 10 HDEE COc1ccc2nc(N3CCN([C@H]4CCCN(C(=O)CC#N)C4=O)CC3)sc2c1 1854679777 FCZBKFQZOOBLHH-INIZCTEOSA-N 413.503 1.858 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855740093 NZYTXKZBKKBQTE-RDJZCZTQSA-N 400.479 1.074 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)c4cccs4)C(=O)C3)C2)cc1 1856093759 GVKASGBPZJANAK-SFHVURJKSA-N 422.510 1.861 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)CC2CC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1856232593 LCPZVXVKXNKDTL-AWEZNQCLSA-N 418.448 1.279 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCn2cnc3ccccc3c2=O)C(=O)C1(C)C 1856767983 SBFAGRUTTKQVQX-INIZCTEOSA-N 409.490 1.928 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)CC1=O 1856819529 NWQPEBIFDHRRHH-IBGZPJMESA-N 419.547 1.270 30 10 HDEE COc1ccccc1CC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857040794 GWWDZOGVMDJJDH-KRWDZBQOSA-N 419.503 1.178 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857151820 QWUOLFAAMXKTTH-RDJZCZTQSA-N 402.474 1.370 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1857208228 PYRKEDMNSFHJHA-OAHLLOKOSA-N 416.913 1.567 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC)cc2OC)C1)[C@H]1CCN(C)C1=O 1857264915 QAZLVYCHPZTHBX-QAPCUYQASA-N 415.490 1.411 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@@H]1CCN(C)C1=O 1857284372 NPGSJKMOTHJKLW-DOTOQJQBSA-N 400.479 1.188 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C2CC3(COC3)C2)c2ccccc2N1S(=O)(=O)CC#N 1857457078 DZQHVRWODZQCCJ-CYBMUJFWSA-N 403.460 1.425 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2ccccc2C(=O)O)c1 1862559330 MCDIYWBTFRXXQK-GOSISDBHSA-N 423.425 1.681 30 10 HDEE Cc1nc(C2=C(N)N(Cc3ccc4c(c3)OCO4)CC2=O)sc1C(=O)N(C)C 1872724852 VLNNPRDOSMVAAR-UHFFFAOYSA-N 400.460 1.594 30 10 HDEE C=CCn1c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc2c(=O)n(C)c(=O)n(C)c21 1873599233 MPSIEKTWQBFTIU-MRXNPFEDSA-N 416.865 1.342 30 10 HDEE COc1cc(/C=N/n2c(C)nnc2SCC(N)=O)cc(Br)c1O 1874531013 MTBWLPGEHPXZLO-FZSIALSZSA-N 400.258 1.523 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)ON3C(=O)c4ccccc4C3=O)[C@@H]2C1 1880978895 UUVVJIMEVLCZMZ-KKUMJFAQSA-N 402.403 1.623 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@H]1OCC(=O)N(C(C)C)[C@H]1c1ccc(OC)cc1 1890003622 IKZDEGZFONILSF-VXKWHMMOSA-N 415.534 1.834 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)CC1 1891929041 DEFNOJNDGBSSKS-INIZCTEOSA-N 411.487 1.549 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NCc2occc2B2OC(C)(C)C(C)(C)O2)[C@H](O)C1 1896046461 ZYQDTNBNTSBUNP-LSDHHAIUSA-N 408.304 1.649 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@@H]2COC[C@@H]21 1965825098 DKXZNCRDJMSRRH-DYEKYZERSA-N 413.521 1.922 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2CC3(CC(NC(=O)OCc4ccccc4)C3)C2)C1 2118167711 JSTTXBQCWKORPH-KRWDZBQOSA-N 418.519 1.858 30 10 HDEE CN(C)S(=O)(=O)c1c(N)nsc1N1CCN(Cc2ccccc2)[C@H](C#N)C1 2186566177 XZYZICQYMOCDIL-CQSZACIVSA-N 406.537 1.190 30 10 HDEE CCS(=O)(=O)N1CCN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2235499622 CIQJQGNMFLTSBY-UHFFFAOYSA-N 400.375 1.515 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2243388851 DPBCKIDNHWLGBO-UHFFFAOYSA-N 404.276 1.125 30 10 HDEE CC(C)(C)OC(=O)NCCONC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243406229 UZRXQDYBEKBGHK-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243677292 UMHRDYAVJYPVSO-OYOVHJISSA-N 408.304 1.403 30 10 HDEE Cn1[nH]c(=NC(=O)OC(C)(C)C)cc1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243678822 OLXYFWNLHZUPSG-UHFFFAOYSA-N 404.276 1.554 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247916581 AJONOVKWELMINN-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE C#CC[C@H](C)CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167421 COENUGKWHCDHON-DOTOQJQBSA-N 410.492 1.375 30 10 HDEE CNC[C@@H](C)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267702196 CCGOUGWXFXIJPL-SNVBAGLBSA-N 408.782 1.835 30 10 HDEE CN1CC(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267705245 WXLBYPRBWARRCN-UHFFFAOYSA-N 406.766 1.541 30 10 HDEE C#CC[C@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270534874 IXDKDOHFNFJANF-MSOLQXFVSA-N 422.503 1.677 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CO[C@H](CN)C3)sc2Cl)OC1(C)C 2281960177 VWQZZKGEVOIKHN-QWRGUYRKSA-N 400.737 1.794 30 10 HDEE Cc1csc(C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282010517 XBOPFLUZMJXMBD-RYUDHWBXSA-N 401.359 1.907 30 10 HDEE Cc1cc(S(=O)(=O)N2CC([C@H](F)CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304411 KGAVEQHPWJAPLQ-GFCCVEGCSA-N 405.322 1.307 30 10 HDEE CCCC1(O)CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282306451 NEWNIQJAQRRGBG-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4NCC[C@H]43)cc2Cl)OC1(C)C 2282314076 UJEWVDMFBFAXSG-YUSALJHKSA-N 418.777 1.729 30 10 HDEE CC[C@@]1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282323963 JBLIXRVQDVXNMU-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCC[C@@H]2N)OC1(C)C 2282346889 ZAFFWJPQWCDSPA-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CCC(CC)(CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282416209 SBXSRAWVSOLRSU-UHFFFAOYSA-N 404.363 1.413 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H](F)[C@H]2CCOC2)OC1(C)C 2282494001 YVYJARUJIOFMBF-AAEUAGOBSA-N 405.322 1.700 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2CCCNC2)OC1(C)C 2282497031 KUTDRKPRIQRAGW-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@](C)(O)C1 2282831065 DUQJAHPQBMDWTH-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE C[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282843958 VLDFDFHEOOAAQP-PWSUYJOCSA-N 420.793 1.977 30 10 HDEE CNC[C@@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282845338 QTSYXGFKAQRMEP-GFCCVEGCSA-N 402.753 1.773 30 10 HDEE CCOc1n[nH]c(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)n1 2282863086 MXRAUSCNHOGTOM-UHFFFAOYSA-N 400.291 1.365 30 10 HDEE COC(=O)C1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2283582839 OWADLJNZYQPPGJ-UHFFFAOYSA-N 421.733 1.685 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284394309 WXQQNSGONRUEIW-NSHDSACASA-N 403.331 1.825 30 10 HDEE CCN([C@H](C)C(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284409566 KZEMHFCZTJMBAQ-LLVKDONJSA-N 403.331 1.672 30 10 HDEE C#CCC[C@@H](O)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316816279 YOBHSBLEQJDXJO-MRXNPFEDSA-N 406.504 1.537 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(CNC(=O)OC(C)(C)C)CCOCC1 2367785202 DFQVOIKZNAUVGM-OAHLLOKOSA-N 400.541 1.477 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2367795661 MYKKDUIJCMWPHR-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1 2367803487 LMCSRUWJTRACLZ-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OC)ccc21 13791910 AZMPZGLIXLIERM-LTFJSZEESA-N 407.517 1.444 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(NS(=O)(=O)CCC)CC3)cc2C1=O 27053392 OWDOUYCCQWWKOC-UHFFFAOYSA-N 419.503 1.403 30 10 HDEE CC[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294932 CWVHIQLETFBXBL-GOSISDBHSA-N 404.536 1.656 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)Cn1c(=O)[nH]c2ccccc2c1=O 44566080 OYFQOYPNFVXEIC-UHFFFAOYSA-N 405.458 1.152 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)ccc1O 58995131 OHDHUVZPWCBFOU-PJQLUOCWSA-N 406.453 1.547 30 10 HDEE C=CCNC(=O)CN1CCN(Cn2nc(/C=C\c3ccc(C)o3)[nH]c2=S)CC1 96973173 YMFRRPPECYMHPB-SREVYHEPSA-N 402.524 1.890 30 10 HDEE C[C@H](NC(=O)c1cc(I)ccc1Br)/C(N)=N/O 235495624 ZRKGRECAHDFGJA-YFKPBYRVSA-N 412.025 1.918 30 10 HDEE COc1cc(C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c([N+](=O)[O-])cc1OC 238836139 GTCSFBNULZWUOG-GFCCVEGCSA-N 413.390 1.957 30 10 HDEE O=[N+]([O-])c1ccc(NN=Cc2ccc(S(=O)(=O)O)cc2S(=O)(=O)O)cc1 301054774 JUALIKZKOPFCOP-UHFFFAOYSA-N 401.378 1.534 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@H]2CCO)CC1 430304596 OGTXOLAWWPPILD-RDJZCZTQSA-N 406.508 1.125 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435408242 RWENQRAYULNIMQ-CJNGLKHVSA-N 412.471 1.467 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)C1=O 440260602 OJDUFTJEEJYDAP-MRXNPFEDSA-N 408.462 1.533 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(Cn4nc5ccccn5c4=O)no3)cc2C1=O 445651848 WBIZLYPXIYTMTN-UHFFFAOYSA-N 402.370 1.376 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N1CCN(c2snc(C)c2C#N)CC1 461193738 STIBPXZSEVWUMU-DOMZBBRYSA-N 407.565 1.919 30 10 HDEE CCNC(=O)COc1cccc(CNC(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 462091351 SOTQJTXLRHIGDE-UHFFFAOYSA-N 419.445 1.976 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)o1 471192474 ZKASDOOVMWDROD-MRXNPFEDSA-N 413.499 1.026 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2c(C)nc(C(C)(C)C)nc2SC)CC1 471475134 GYDIJNFMMCIEET-UHFFFAOYSA-N 405.568 1.864 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCCC2CCS(=O)(=O)CC2)cc1 508301264 STIFLYBPCCTQGK-UHFFFAOYSA-N 412.533 1.709 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COc2ccccc2)C1 508729856 KTBXEBVFQHQMFC-FUHWJXTLSA-N 418.519 1.650 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(C)c(F)c2)CC1 508829710 ZZBQJXUXIYCOIU-GOSISDBHSA-N 415.469 1.962 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCC(NC(=O)C3CCCC3)CC2)CC1 512999675 SYZSVFLWFWPGLZ-UHFFFAOYSA-N 404.555 1.298 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 522320937 SYAHJYGEQJMMGL-XLIONFOSSA-N 418.925 1.306 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N(CCC#N)Cc2ccco2)CC1 523347406 KQKSTTGMAQGWCP-UHFFFAOYSA-N 419.507 1.963 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C[C@H](C)C#N)C3CC3)cc2)CC1 533141645 BTJGFZRDLZPEFH-OAHLLOKOSA-N 418.519 1.304 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCO1 549911861 UOLQSAMIGZCHIC-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE COC(=O)[C@@H](O)C1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 564024240 PPGKQYNIJFYOTR-KRWDZBQOSA-N 417.853 2.175 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(C)(C)c1cc(F)cc(C#N)c1 579726275 QUAXRNKHLLDHFG-VQHPVUNQSA-N 402.422 1.927 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NC3(C#N)CCCC3)c2)CC1 585705353 VTPTVJGFIGTZOD-UHFFFAOYSA-N 404.492 1.106 30 10 HDEE CS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585764358 LZZBWVDOHDJOLI-UHFFFAOYSA-N 403.435 1.175 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2C#N)C1 702788664 ZOLODFCUQKNNRV-GXTWGEPZSA-N 415.899 1.718 30 10 HDEE CCNC(=O)[C@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730139667 CDGBYEQENUKHAE-HOCLYGCPSA-N 419.551 1.211 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)[C@@H]1CCS(=O)(=O)C1 731186807 UIGVRQUNNWFZJM-MRXNPFEDSA-N 409.471 1.386 30 10 HDEE C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664568 LMYDYLINOQXGNE-JQWIXIFHSA-N 411.325 1.828 30 10 HDEE CC(C)OCCOCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706393 IKDSDZIIPRJRRZ-FQEVSTJZSA-N 414.506 1.765 30 10 HDEE C[C@H](CC(=O)NCc1ccc(C#N)cc1F)/N=C1/NS(=O)(=O)c2ccccc21 742639996 JHEUPWOANLJONC-GFCCVEGCSA-N 400.435 1.831 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3ncccc3c2)c1=O 748066231 SNAIRNNCRQTADZ-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)CC(C)C)n(CCSC)c2=O)cn1 751837392 QVCNTXOKSWICNN-UHFFFAOYSA-N 418.588 1.998 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)c1cccc(C#N)c1 755183315 CIYGJOPGGMGJLU-MRXNPFEDSA-N 415.446 1.800 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)CC2)n1 761042474 LCPRRLIYKLZHPZ-ROUUACIJSA-N 409.471 1.306 30 10 HDEE C=CCCOCC(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 761169099 KQXDAAXXAMRIKD-UHFFFAOYSA-N 424.244 1.772 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 765190129 VAQJVZLPPSPWDE-DZGCQCFKSA-N 404.410 1.374 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(CCc3ccc(Cl)c(Cl)c3)CC2)CC1 766269883 MGWKVJTUBJNFGK-UHFFFAOYSA-N 423.388 1.931 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 766364814 AORIDAMTOHATSZ-OAHLLOKOSA-N 423.491 1.698 30 10 HDEE C#CCN(C(=O)Nc1cccc(C)c1C(=O)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774020282 ADBUIRATWQICBH-INIZCTEOSA-N 403.504 1.885 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCCC2=O)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774025431 LCYZZBDKEZYAQR-HNNXBMFYSA-N 405.476 1.476 30 10 HDEE C#CCN(C(=O)NCc1ccnc(OCC(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 774162860 ATSYCKTUFATKDV-ZDUSSCGKSA-N 405.398 1.355 30 10 HDEE C#CCN(C(=O)NCc1cc(OC)c(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 774189093 YCKSVPCBDFZRJK-HNNXBMFYSA-N 410.492 1.434 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1)[C@@H]1CCS(=O)(=O)C1 774241340 LLXSTYAZMZZJHL-ZIAGYGMSSA-N 418.475 1.638 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@H](C(=O)O)C1 776689525 FFRGYIKDCSPGCW-AWEZNQCLSA-N 413.427 1.392 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1 781598505 YKCBPTRMCSZQFL-OAHLLOKOSA-N 421.475 1.797 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)cc(C)c2)N(CCC2CS(=O)(=O)C2)C1=O 786689773 XVUUVQVCVDNFLP-INIZCTEOSA-N 423.560 1.806 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)C(C)(C)COCC(F)F)CC2)o1 787853067 VIUGRDKHUGQBFJ-UHFFFAOYSA-N 414.409 1.354 30 10 HDEE C=CCNC(=S)/C(=C(/O)c1cccc(S(C)(=O)=O)c1)n1ccc(=[N+](C)C)cc1 789392315 JTQSYEBOJNSLCM-UHFFFAOYSA-O 418.564 1.910 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 790203037 DAKHKELTNOSHLM-UHFFFAOYSA-N 413.503 1.129 30 10 HDEE CC(C)(C)OC(=O)N1CCC(SCC(=O)NS(=O)(=O)CC2(C#N)CC2)CC1 793196789 WXIBKDXARBUISY-UHFFFAOYSA-N 417.553 1.869 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccnc(OCc3ccccc3)c2)CCN1C1CC1 800605532 NUSYDYHNZYOEQP-IBGZPJMESA-N 405.458 1.798 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 802010083 AKVDUQLXQZXRGE-JOCHJYFZSA-N 404.555 1.487 30 10 HDEE CSc1nc(O)c(C(=O)N2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)cc1C#N 804634452 WCEDSPHZABZKIU-KBPBESRZSA-N 420.491 1.891 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C[S@@](C)=O)cc2)n1 805867964 VMYKTUAXFSHOSI-MUUNZHRXSA-N 402.520 1.753 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)OC)c(F)cc2C)c1 813654648 UCMCVOITOLNNIS-UHFFFAOYSA-N 404.419 1.819 30 10 HDEE CN1CC[C@H](C(=O)N2CCN([C@H](C#N)c3ccccc3)CC2)[C@H](c2cnn(C)c2)C1 849490757 PJTXOCBTZKNHKU-FDFHNCONSA-N 406.534 1.864 30 10 HDEE CNS(=O)(=O)c1cccc(C(C)=NNC(=S)NCc2ccc(OC)cc2)c1 915944165 CZGBKLPZBSTWNP-UHFFFAOYSA-N 406.533 1.992 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(NN=C(C)c3ccccn3)n2N)cc1 1084057155 HKCVWXPRMOJZQB-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1124979175 GISCIFFZCGLCKP-YJBOKZPZSA-N 423.491 1.628 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CCC2=O)cn1 1127995257 UUVPWTRSRDKLRX-QGZVFWFLSA-N 417.473 1.752 30 10 HDEE COCC(COC)N1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1129697984 CWJWSQMDQHMDNY-UHFFFAOYSA-N 423.535 1.183 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)n1 1139833704 OEFJUNFPTYTJSQ-AZUAARDMSA-N 412.465 1.208 30 10 HDEE CO[C@@](C)(CO)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1144183872 XANSNYKMZXGMKD-LAUBAEHRSA-N 403.479 1.906 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3ccc4cccnc4n3)CC2)C1=O 1144195607 WFMYWOYYEDZQQV-UHFFFAOYSA-N 407.430 1.313 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CS1(=O)=O 1146272476 ZUWYJHSQHOOTKG-CMPLNLGQSA-N 401.282 1.781 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(=O)N(C)OCC(F)(F)F 1148091124 PPLXXTOEGIUCGD-UHFFFAOYSA-N 412.372 1.219 30 10 HDEE COCCOCCc1ncc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]1 1149177544 XJIUKSHLWHUSDK-CQSZACIVSA-N 407.471 1.200 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1152468185 UJJCOCNXGJOTFS-PXAZEXFGSA-N 405.417 1.963 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C3CC3)nc3ccc(C)cc23)CC1 1152967886 UJBWNZDCHWDHEB-UHFFFAOYSA-N 412.515 1.646 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(OCCO)CCCCC1 1158200935 GTHOJQRZZVJDBS-UHFFFAOYSA-N 423.535 1.333 30 10 HDEE N#Cc1cccc([N+](=O)[O-])c1N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1162232115 JVBQUDKUQZTRTH-UHFFFAOYSA-N 412.431 1.854 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 1162947892 CEVAYKDZQBHWTQ-NSHDSACASA-N 423.397 1.863 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CCC2)cc1 1163513388 XDZOOUHQWVEDKL-IBGZPJMESA-N 422.460 1.796 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nnc(S)n2C2CC2)c1 1192365709 HBAWXHREOVOHNV-UHFFFAOYSA-N 407.521 1.339 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1196393519 PDRWUVWOMPRESL-BPAFIMBUSA-N 407.536 1.906 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)[C@H](O)C1 1196689979 DRNMSCGTBBZWMW-QWHCGFSZSA-N 401.872 1.470 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1225030569 GESCXPARXPLYOP-AEFFLSMTSA-N 405.520 1.699 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286296884 SUZYEBBKDCEOMW-MSOLQXFVSA-N 415.563 1.917 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286336314 WVKBGLXJIGJIJF-DYESRHJHSA-N 403.527 1.789 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@H](O)C1 1286469623 WJVVRQIJDNXHPU-OALUTQOASA-N 400.527 1.777 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(C(N)=O)c1 1286469730 XQFCDPWRFDHUHS-UHFFFAOYSA-N 421.505 1.373 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@](C)(OC)C2CC2)CC1 1286485450 MGYHNATZYAKYMA-JLMWRMLUSA-N 417.554 1.572 30 10 HDEE C=C(C)COCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286614154 MLGWZGSCKJGPRA-OAQYLSRUSA-N 421.542 1.628 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1CCN1CCN(C(C)=O)CC1 1286724889 VIFZCUFXEBXSJE-UHFFFAOYSA-N 412.538 1.664 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1286788363 VILWTEMGDOWCNP-DLBZAZTESA-N 419.526 1.596 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286820309 JCLWJWRMWSCESH-KRWDZBQOSA-N 420.583 1.644 30 10 HDEE CC(=O)Nc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cc1 1286894596 GPSLVWOJHRWYJU-HXUWFJFHSA-N 417.473 1.999 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc2c(c1)C(=O)NCC2 1286959372 GAPOOOQAAWXENZ-CQSZACIVSA-N 409.494 1.346 30 10 HDEE CN1C(=O)C(C)(C)N(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2ccccc21 1287587124 DJZDQESFQRIOST-UHFFFAOYSA-N 412.471 1.513 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N(C)CCc1cccc(C#N)c1 1288042337 IYBMNLQEBDNYBS-UHFFFAOYSA-N 404.474 1.950 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1CCOC1 1288551151 JCGIUUDEABFCEP-NVXWUHKLSA-N 412.494 1.855 30 10 HDEE C[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C)N(C)C 1288624678 GLEGRNSVMIWVIU-HZPDHXFCSA-N 420.525 1.600 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C2CC2)N(C)C)cs1 1290435313 NBWDMLXTUCEAIG-DLBZAZTESA-N 401.540 1.703 30 10 HDEE CCOC(=O)C[C@H](CO)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1298689279 KVYMBAWSNXWDOF-CQSZACIVSA-N 410.268 1.187 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1298690593 RXZFBBKLIRSUFK-AWEZNQCLSA-N 404.444 1.316 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(c3nncn3C)CC2)CCCN1C(=O)OC(C)(C)C 1300147733 LVJOCDBPIYPAQI-HXUWFJFHSA-N 402.499 1.257 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCNS(C)(=O)=O 1300429774 CCVHJAVZRKIFRZ-CYBMUJFWSA-N 411.915 1.690 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nnc(C)s1 1300512745 MHKCTQCMIDNAFX-FQEVSTJZSA-N 414.535 1.794 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](OC)C(C)(C)C 1300672380 ZUURAYVLAPYAQZ-HZPDHXFCSA-N 412.556 1.327 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1)C1CC1 1301326968 JWRCCXRNBQCPJV-INIZCTEOSA-N 424.567 1.921 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301458703 YWZHKUPHQVXOBC-UHFFFAOYSA-N 414.485 1.768 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNS(=O)(=O)CC)C1 1301553100 DOFSLSSGPDQJGA-OAHLLOKOSA-N 408.528 1.004 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1301596824 ZQENLXRHAYFABT-ZWKOTPCHSA-N 423.583 1.795 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1301958540 DFZOWJOYLMSGRF-HUUCEWRRSA-N 405.528 1.303 30 10 HDEE Cc1cc(O)nc(N2CC[C@@H](NC(=O)C3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1303599439 DKZRRTOWFPYUJI-OAHLLOKOSA-N 411.466 1.270 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1 1303642853 ZMTIDFQLHVMVPX-IAGOWNOFSA-N 424.571 1.031 30 10 HDEE NC(=O)c1cc(F)ccc1N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307956088 ZICMBDFLTLAMJU-UHFFFAOYSA-N 420.444 1.346 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)cn1C 1310750386 COPGTPGGIKQSOO-UHFFFAOYSA-N 402.480 1.333 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1312485976 PGXPXJUYUJMLIE-OAHLLOKOSA-N 413.507 1.496 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)n1 1313351100 WQPKPMDCHCPFHQ-UHFFFAOYSA-N 406.449 1.652 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CC1 1315120251 FALMZPFXDWYBHI-OAQYLSRUSA-N 410.478 1.866 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1318160899 RGWIVPMUKZZBBZ-INIZCTEOSA-N 411.439 1.619 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OC[C@H]1CCS(=O)(=O)C1 1321117120 JKHRPKGNQXDGIY-MRVPVSSYSA-N 410.395 1.748 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CCC2=O)cn1 1352474397 NTYZUOMPCHXMCQ-INIZCTEOSA-N 407.478 1.215 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1358890841 WFSQFXUUKUQRBO-YOEHRIQHSA-N 421.498 1.256 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C/C=C/CC)[C@H]1CCS(=O)(=O)C1 1358955434 LVZJRDHUHIFVLD-JFDDCEBESA-N 405.524 1.107 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1358961935 HIFCNPYCENPWDB-YLJYHZDGSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC[C@@H]2CCCCO2)CC1 1359028444 SAKGGLYCLSFXAQ-IBGZPJMESA-N 416.570 1.911 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCSC2)CC1 1359029683 DYAAUUJFNZVYIE-RXVVDRJESA-N 419.595 1.827 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1359233525 IQCSFDZXOJCDMU-AWEZNQCLSA-N 420.495 1.757 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cnn(C)c1 1359237853 PFRWSNCDNSOXKS-UHFFFAOYSA-N 400.512 1.642 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CN(C)C2=O)C1 1359312369 TZNBAWVTMBFHGB-IERDGZPVSA-N 418.542 1.456 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(N)=O)c2)C1 1359319126 SXYHZELRWNDKBJ-IBGZPJMESA-N 421.505 1.802 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCNC(=O)[C@@H]1CC 1359340987 IIOXZRDJTUGAKG-AWEZNQCLSA-N 418.523 1.640 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1359466285 XRWABLZDGVTTNL-HOTGVXAUSA-N 410.478 1.950 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1360476410 LLERFMVZIANAPP-MCYOWCNASA-N 413.482 1.437 30 10 HDEE C=CCn1cc2ccc(NC(=O)c3cc(C)c4c(=O)n(C)c(=O)n(C)c4n3)cc2n1 1439619024 ZEOHDAUSSDUIFT-UHFFFAOYSA-N 404.430 1.729 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H](NS(=O)(=O)C3CC3)C(C)C)CC2)c1C#N 1450536985 BMRIYEMKVBNVQK-OAHLLOKOSA-N 411.553 1.078 30 10 HDEE C#CC[C@@H](NC(=O)c1cnn(C(C)(C)C)c1I)C(=O)OC 1451177508 DVMZPIBGNRXHQN-SNVBAGLBSA-N 403.220 1.537 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CC[C@@H](N(C)c4cccc(C#N)c4)C3)cc2=O)n1 1452490408 SZPVQNJLEZKTQF-GOSISDBHSA-N 417.473 1.795 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C 1452755219 HOMFSSHPBIQCMV-GUYCJALGSA-N 414.487 1.118 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CSC1 1453160930 KWFDIHVZVGCZKY-UHFFFAOYSA-N 408.545 1.673 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2c(C(F)(F)F)cnn2C)c1 1454065516 MTZHDFLWWFBYRI-UHFFFAOYSA-N 402.398 1.833 30 10 HDEE C#C[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCOCC1 1458497604 UPWRBRBAPURMBU-INIZCTEOSA-N 409.464 1.456 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCCOc1ccc(F)c(Cl)c1 1460201179 AAIZICXPWIEUGC-UHFFFAOYSA-N 411.842 1.713 30 10 HDEE N#Cc1ccc(N2CCC[C@H](N3CCc4sc(S(N)(=O)=O)cc4C3)C2=O)cc1 1460468127 BWAGPAHAXIAXKV-INIZCTEOSA-N 416.528 1.821 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)N=[S@@](C)(=O)c1cccc(Br)c1 1463454058 PIMICCPDMMYDLO-FIKIJFGZSA-N 411.343 1.925 30 10 HDEE C=CCOC[C@@H](NC(=O)COc1ccc(Br)cc1C(C)=O)C(=O)OC 1467516643 UJTYNEPTFOVPMP-CQSZACIVSA-N 414.252 1.891 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)cc1S(=O)(=O)NCC#N 1468116425 MQMOQWXXXZGTMA-WBVHZDCISA-N 417.491 1.181 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1469762102 BNJZJRRLXJTNHS-RNQOJCNYSA-N 414.506 1.919 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1 1469917076 KXHPFROLBOOVGQ-ZIAGYGMSSA-N 411.553 1.169 30 10 HDEE COc1ccc([C@@H](CO)CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1470032199 FQPOEJXWBBPNAZ-TZIWHRDSSA-N 422.485 1.743 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccc(C)cc2)CCO1)[C@H]1CCS(=O)(=O)C1 1471110093 KJONBJXWHBPENT-VQTJNVASSA-N 419.547 1.028 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 1471832306 CAARQELAOFKYPB-PMACEKPBSA-N 403.548 1.442 30 10 HDEE C=CCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[C@H](C)COC 1477952572 HIUWLIXUAWKNLA-OAHLLOKOSA-N 403.545 1.192 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 1499202753 ADGPMSDUXDMBII-INIZCTEOSA-N 400.458 1.593 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1([S@@](C)=O)CCC1 1505059860 VURHCLOYMAIOLZ-GGBCOCPISA-N 409.556 1.899 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1507597273 XLBGNKKBJHCNGI-UFYCRDLUSA-N 417.554 1.717 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1ccnn1)[C@@H]1CCS(=O)(=O)C1 1507622825 MFKFEXPKDJBPSE-JKSUJKDBSA-N 405.528 1.100 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCN1CCCS1(=O)=O 1507687851 RDCMXFDFDNADGE-UHFFFAOYSA-N 403.508 1.449 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(OC)CCC2)CC1 1507718823 IAMCRRGKNKWDHR-JOCHJYFZSA-N 417.554 1.645 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)CC(=O)NC(C)(C)C 1508080885 FMPHGOGRJFHAJX-UHFFFAOYSA-N 414.510 1.607 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(Cc1ccnn1C)C1CC1 1508084972 DOEMOHKKVINEKS-UHFFFAOYSA-N 406.494 1.853 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SC)C2)nnc1[C@]1(OCC)CCOC1 1508096891 CSMGEYKVRPVYNN-UZLBHIALSA-N 423.583 1.954 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1508799757 SIWSCZGZTBNXDR-LJQANCHMSA-N 422.537 1.679 30 10 HDEE CC(C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1508813644 ICCGMCWDZNRTEH-UHFFFAOYSA-N 423.521 1.794 30 10 HDEE CC(C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@]1(C)CN(C)C1=O 1509001244 JRRYGLYKRCLLGH-VFNWGFHPSA-N 423.525 1.257 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCOC[C@H]2C)CCOC1 1509793449 XIGJTQAEZIJCCK-WAOWUJCRSA-N 420.558 1.778 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1=O 1517415572 MOCQBCDLLGBKPA-INIZCTEOSA-N 407.478 1.010 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCO[C@H]1CCOC1 1518444790 KXCOWRXMUYMLQX-IRXDYDNUSA-N 413.478 1.878 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nccc(C(F)F)n3)C2=O)cc1 1527539105 JSVACIUEXLWWDD-AWEZNQCLSA-N 414.372 1.807 30 10 HDEE N#Cc1cccc(C2(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)CCOCC2)c1 1532549645 RFILSBFOWFEXQA-FQEVSTJZSA-N 417.469 1.800 30 10 HDEE CNC(=O)COc1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1OC 1536664861 MVSFIACNRNYREJ-FQEVSTJZSA-N 409.442 1.905 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)N(C)C)c1 1539200228 CRDALPUKSDWRNF-OALUTQOASA-N 411.506 1.822 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1539215790 JGUNXPJVSYWLIG-HNNXBMFYSA-N 414.491 1.553 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1539224177 CXSNNGFYCQGHDL-INIZCTEOSA-N 422.576 1.982 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)(C)C)nc1 1539259822 HZVGDHDJFJTCMJ-KRWDZBQOSA-N 406.490 1.923 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1539395695 HFMAYSUJXMFNDN-OAQYLSRUSA-N 421.611 1.870 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1539429764 COQHWKAWUHCWJS-QGZVFWFLSA-N 424.540 1.687 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1 1539495992 AOMXLGRIJCYWAB-HDICACEKSA-N 418.611 1.579 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)NC)CC1 1539626256 BZZIIZIJRLPHAP-MSOLQXFVSA-N 411.510 1.783 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1539842134 GAOJDRZXXPQVSA-OAHLLOKOSA-N 403.512 1.316 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(=O)[C@H]4CCCO4)CC3)n[nH]2)c1C 1540347982 IHBGYPZRVLDBRA-GOSISDBHSA-N 412.494 1.539 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(S(=O)(=O)CC)CC1 1540857303 NVMMVNMUPYOPHW-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1540870836 XYQYETGVJJYMCN-UHFFFAOYSA-N 416.555 1.588 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNC(=O)C(C)C 1545877441 CGHKQMXCVZXGNL-HXUWFJFHSA-N 421.521 1.801 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1548275491 BYWHXUISBUMWSY-MRXNPFEDSA-N 412.450 1.406 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1555269771 PUTPGENYVFKFRQ-FXAWDEMLSA-N 401.442 1.797 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1CC1CCN(C(=O)OC)CC1 1555557796 CSJUMABZXQPMLH-KRWDZBQOSA-N 420.514 1.627 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 1557814100 BINKTMFBLDRRES-UHFFFAOYSA-N 418.544 1.939 30 10 HDEE C#CCC1(O)CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 1558104290 WVZGSUZQDKAUKR-UHFFFAOYSA-N 419.275 1.812 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c(C(F)(F)F)c1 1561638695 IFOROESNJVUQCF-OCCSQVGLSA-N 424.422 1.154 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 1566212594 FAJVVSLFHIQIFY-UHFFFAOYSA-N 405.451 1.629 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1=O 1570032065 FAXAFVREIANQOY-HXUWFJFHSA-N 412.534 1.665 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1583094052 HHKVBGMDAXKHRY-AKCHCHLHSA-N 419.503 1.417 30 10 HDEE C#Cc1ccccc1CC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182177 DXGKQDWUCKHBSO-GOSISDBHSA-N 420.531 1.751 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CC(=O)OC(C)(C)C)CC(C)C)C1=O 1585346199 WRKJBJMKXFIHPD-AWEZNQCLSA-N 409.483 1.474 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)c1 1586249604 YQXIKYSNHWUHSI-NRFANRHFSA-N 421.501 1.739 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1588074399 DXSJYSBAGYEWAN-UHFFFAOYSA-N 414.474 1.864 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1588647408 UYXJEBHFHPVOLU-HNNXBMFYSA-N 423.926 1.363 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C)o2)n1CC1(O)CCS(=O)(=O)CC1 1589177210 GRKHMKWOQADFPG-LJQANCHMSA-N 418.519 1.778 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593630748 MYSLBXSKBAIPIH-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)CCOC)CC1 1594182095 SHHPBTWPJOHCHB-KBXCAEBGSA-N 415.560 1.078 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1594962134 IVHNZVLQPOYUNM-OAHLLOKOSA-N 400.508 1.693 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1595496813 ICHYFQSVPISTAF-QGZVFWFLSA-N 422.493 1.689 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595530158 UYYIUFRERQELLK-QGZVFWFLSA-N 411.510 1.255 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595812554 XWPXQBFLJPRTKJ-QGZVFWFLSA-N 419.551 1.726 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595871178 IVWTWXLYGLFYIC-OLZOCXBDSA-N 401.558 1.018 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1596781616 BRQLEESTSQUOLH-KRWDZBQOSA-N 415.542 1.903 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCCN1C(=O)c2ccc(Br)cc2C1=O 1597053464 NSCSQIZJLPIISP-ZDUSSCGKSA-N 405.248 1.686 30 10 HDEE C[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1611596992 GDRVNYBFNFSZRW-ICSRJNTNSA-N 410.522 1.513 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(Cc2ccsc2)n1Cc1ccc(C#N)o1 1618354538 KOWRWGDDMXZNBR-UHFFFAOYSA-N 405.505 1.924 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cc(C)on2)C[C@H]1OC 1620148082 IFBYNJJAPGYJJY-KDURUIRLSA-N 424.461 1.924 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCCOc1ccc(C#N)cc1 1620428913 ZUXSULAAEYFFPF-OAQYLSRUSA-N 405.495 1.915 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCN2CCO[C@@H](C)C2)c(C#N)cn1CCOC 1623545057 BKMLDDRAOLRJDX-AWEZNQCLSA-N 407.471 1.025 30 10 HDEE CC(C)(c1nnc(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)o1)S(C)(=O)=O 1624793710 LKIWLWLELFMLTF-UHFFFAOYSA-N 421.454 1.322 30 10 HDEE C=CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1624936464 SVQMHQDODSGXQX-QGZVFWFLSA-N 410.492 1.070 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2 1625510678 OMJBMEZRVNTJGK-UHFFFAOYSA-N 413.499 1.983 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2COc3ccc(O)cc3O2)cc(OC)c1OC 1626077833 WRSLZCIEZUPKOW-UGSOOPFHSA-N 400.387 1.939 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccccc2CC#N)ccc1OC 1626631204 CKGCKUWTCZVPLZ-UHFFFAOYSA-N 403.460 1.938 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cncc(-c3ccc(OC)cc3C)c2)CC1 1626967001 YSZOYMAKIROPES-UHFFFAOYSA-N 406.486 1.573 30 10 HDEE COCCNC(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1628506290 FRPOOKDXDWMBDO-GOSISDBHSA-N 416.478 1.271 30 10 HDEE Cc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)nc2c1c(=O)n(C)c(=O)n2C 1629976789 WLDSTVKDORSNSN-UHFFFAOYSA-N 418.457 1.227 30 10 HDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(=O)OCc1ccccc1 1631674489 OHXQNEARQHMUPO-CYBMUJFWSA-N 404.419 1.985 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1632078976 UQDQKRBDFKHDGT-LJQANCHMSA-N 404.532 1.467 30 10 HDEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1632294373 MRIKLOFHEYLBED-KXBFYZLASA-N 424.505 1.283 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1635284601 NWNGIUWUOACATB-JKIFEVAISA-N 407.898 1.839 30 10 HDEE CN1CCN(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1636464084 RWWVVURRMCJTMY-RKDXNWHRSA-N 423.304 1.390 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(C(=O)NCCO)CC3)CC2)c1 1636586078 HIBBDIPBEJDRCU-UHFFFAOYSA-N 413.522 1.053 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)c2ccc(COc3ccc(C#N)cc3)o2)[C@H](CO)C1 1640285708 ZVCBCHDVEQBJJM-MAUKXSAKSA-N 413.430 1.909 30 10 HDEE O=C(CN1C(=O)c2ccc(Br)cc2C1=O)NCC#C[C@@H]1CCCCO1 1640373992 BRVFSURTXHJCMQ-ZDUSSCGKSA-N 405.248 1.734 30 10 HDEE CO[C@]1(C(F)(F)F)CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1643571987 JFGJDUSRDBFNCZ-XHDPSFHLSA-N 405.398 1.405 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc(C)c1C#N 1644579241 DUYOUBAMMFZNIJ-UHFFFAOYSA-N 412.515 1.968 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1645580888 BKHURUJVVVREAO-CQSZACIVSA-N 421.947 1.659 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Br 1646305141 XLNOWOBIDFRGAJ-LLVKDONJSA-N 405.314 1.756 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](Cn3ccnn3)C2)CC1 1647729267 WNMKUDGQCWFOSE-PXNSSMCTSA-N 411.485 1.148 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@](C)(CO)Cc3ccccc3F)CC2)o1 1648466427 HOXDJORXNIZBMS-OAQYLSRUSA-N 415.469 1.226 30 10 HDEE O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040313 BTHRIRJHTRUZGC-WMLDXEAASA-N 418.446 1.591 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)N1CCN(Cc3ccsc3)CC1)C2 1656380645 DVAPSABIMHQDFL-UHFFFAOYSA-N 401.561 1.966 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2ncc(-c3ccccc3Br)o2)c1=O 1656732239 IPYSXDCDVWHNJG-UHFFFAOYSA-N 417.219 1.340 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)cc1 1660070140 BMDMJXQCADKRAT-CEXWTWQISA-N 419.547 1.464 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1)C(=O)OCC 1663315201 JWVYORVIJKLZGA-LBPRGKRZSA-N 406.407 1.982 30 10 HDEE CC[C@@H](CNS(C)(=O)=O)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1664005045 DEDPCIUNFCOISY-LBPRGKRZSA-N 401.535 1.688 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)C1 1666053559 SLYILEZCFHCFQT-OAHLLOKOSA-N 417.528 1.353 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1672649154 QMPBFXGLMSNUDW-QGZVFWFLSA-N 404.511 1.808 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1674888258 SJMZENOKCQXARS-ZDUSSCGKSA-N 419.956 1.846 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140414 SWDWBMNHOSSOEJ-AWEZNQCLSA-N 423.311 1.887 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 1680910036 RTDBGIKVYRBSML-INIZCTEOSA-N 413.927 1.845 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)NCCn2cnc(C#N)n2)CC1 1680972650 CUQIAMUCMLRGQT-HNNXBMFYSA-N 405.503 1.876 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1681954869 NDXHTLVZVQNOST-FZMZJTMJSA-N 405.879 1.648 30 10 HDEE CC(C)n1c(S)nnc1CCNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1683494076 MSMMLCYYYFWJLQ-UHFFFAOYSA-N 400.512 1.489 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCc3nc(O)c4c(n3)CCOC4)CC2)c1 1683536286 GPBNCGCOWJJIQU-UHFFFAOYSA-N 422.489 1.590 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3cc(=O)n4ccccc4n3)C2)nc1 1683711163 GMYXKPRYZRIKNN-INIZCTEOSA-N 403.446 1.747 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1684863279 KBOQAUCBBXUPGM-KZNAEPCWSA-N 400.479 1.959 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)N2CC[C@](O)(CC#N)C2)C1 1687603649 QBBBQZCJYVEEHY-CXAGYDPISA-N 402.442 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1cccs1 1690045561 NDBMVFFWIGDUAK-HNNXBMFYSA-N 410.503 1.184 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1690059407 PLNCACGRJRCDOA-IRXDYDNUSA-N 410.588 1.612 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(N)=O)CCCC1 1690105895 CYAXGHHVNFLSLI-UHFFFAOYSA-N 413.526 1.271 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2C)CC1 1690109410 QIWPEELYAFFEIA-UHFFFAOYSA-N 406.534 1.820 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690155670 MLUUTSXRMNOOBK-DLBZAZTESA-N 418.611 1.947 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1690338723 HKTNQOVCBSBXRF-GFCCVEGCSA-N 421.288 1.498 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1690515536 OLHXNZLATAVFSL-LLVKDONJSA-N 407.525 1.564 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC1CC1 1694552621 GDLDEHRWKZRBFP-GOSISDBHSA-N 424.505 1.674 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1705490489 LGNPXOIIFPPFLY-CQSZACIVSA-N 412.494 1.913 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1705523135 SIJHPPGKFLDRFS-INIZCTEOSA-N 421.509 1.206 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705564438 OJFORELXKOKIQU-FUHWJXTLSA-N 415.519 1.392 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705569669 FPDCTSSKQHCMLN-SFHVURJKSA-N 401.536 1.741 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CCOCC1 1705586941 BWCUUFQMGXUGNL-UHFFFAOYSA-N 410.474 1.480 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(-n2cncn2)c1 1705628905 SEDYSYJTTQULRO-GOSISDBHSA-N 407.478 1.497 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H](C)N1CCOCC1 1705629869 YHSHTBAGBLFPBD-GOSISDBHSA-N 415.513 1.815 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@](C)(O)C2CC2)CC1 1705642886 KLMHYWYGCUQKHV-QFIPXVFZSA-N 413.497 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCCSC)CC1 1705650825 ZJJZBUXAVNXYLR-UHFFFAOYSA-N 412.563 1.983 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705724800 QKFBHCXBFIYMSS-OAHLLOKOSA-N 412.498 1.321 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1705734515 RMGOKAYBEFJXIV-UHFFFAOYSA-N 401.515 1.124 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2ccco2)C1 1705735979 YYLWJVZRAGTPPL-DOTOQJQBSA-N 401.467 1.993 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1705848277 PZZABIRIUZUJGP-UHFFFAOYSA-N 424.505 1.581 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(C)CCN1CCN(c2ccccc2)CC1 1705904059 DBCMEVZDWGEDPV-UHFFFAOYSA-N 411.554 1.401 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(OC)C2CC2)C1 1705928459 FIBHMCROOYKNRE-LAUBAEHRSA-N 403.527 1.997 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1706753653 HZUJHCYVELHGAL-AWEZNQCLSA-N 407.482 1.278 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1722332416 KRNQNGLQDMRCQL-HOTGVXAUSA-N 407.540 1.089 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722345315 OPQRRVSRNAWQCF-INIZCTEOSA-N 415.469 1.876 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cnn(Cc2ccccc2)c1 1722356434 GFAMDXJYCMZPRH-UHFFFAOYSA-N 403.490 1.763 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1722368539 RUTAZNDOYCQPFW-QGZVFWFLSA-N 400.504 1.926 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1722374327 UGHLVDCQFKYRBC-KRWDZBQOSA-N 411.510 1.441 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722378112 ARMCLXHTBPOYSQ-QZTJIDSGSA-N 407.522 1.696 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](OC)c2ccccc2)CC1 1722438708 YSHOCDRADAPKAQ-FQEVSTJZSA-N 403.490 1.878 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCC(C)(C)O)CC1 1722440944 HAAAZPKIFZXSBY-UHFFFAOYSA-N 401.486 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCn2ccnc2C)CC1 1722449866 RZUZXZPXWGAGJT-UHFFFAOYSA-N 409.538 1.792 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1722459248 GSXQLHPVUOODBS-HZPDHXFCSA-N 411.597 1.077 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722532222 GERRUIQVVWORKU-INIZCTEOSA-N 414.514 1.670 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722617426 JVDSWEJXAPCFID-HOTGVXAUSA-N 402.499 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1722729127 GANUPCFRBXMRGY-AWEZNQCLSA-N 411.553 1.784 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1Cc1cn(C2COC2)nn1 1723779354 IBMCENPVLHNWAY-AWEZNQCLSA-N 410.457 1.957 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C(C)C)n2Cc2ccc(C#N)o2)CC1 1727106106 YTWGJBYVLLALGN-MRXNPFEDSA-N 413.526 1.951 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CN3CCCC3=O)n2[C@H]2C[C@@H]2C)n1 1740689163 QHMGTZZPZKYKGP-WMZOPIPTSA-N 411.510 1.464 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2cc(C)cn2)CC1 1740690478 VWDJOCLQEZIJLQ-UHFFFAOYSA-N 412.542 1.157 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](F)COC)CC1 1740704149 LKOHYBXIRHSVBB-MRXNPFEDSA-N 400.458 1.290 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CCNC(=O)c2cc[nH]n2)CC1 1740825890 ZAQDEBJPDSQXIY-OAHLLOKOSA-N 403.487 1.312 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1740938095 YEKWCLHFGYFREK-OXJNMPFZSA-N 417.535 1.925 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(NC(C)=O)CC1 1740954582 BNOPNLVQAHHFTN-UHFFFAOYSA-N 412.494 1.361 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1740955170 XSWUBJHPDCFEQA-SFHVURJKSA-N 410.478 1.361 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1741127440 BVOGQHQEAROHTI-UONOGXRCSA-N 417.491 1.704 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H]1CO 1741803901 TYFNQNPLYFIMAW-ZACQAIPSSA-N 403.531 1.204 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1746521370 CGSVRCIMHYRXGM-UHFFFAOYSA-N 409.494 1.583 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1748655836 GWSSJWPHDABSFD-HNNXBMFYSA-N 419.493 1.424 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCSCC1 1748667640 XNVWGPVTDHBZIZ-AWEZNQCLSA-N 402.524 1.513 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1748730066 DBJNTFDEGVRWLE-BTYIYWSLSA-N 416.526 1.933 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1748892209 LFCUINSPVVIZLV-SFHVURJKSA-N 412.515 1.722 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CC2(N3CCOCC3)CCCCC2)CC1 1748993297 UJWPTFKRRIZNAU-UHFFFAOYSA-N 400.571 1.631 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1749019836 DKGFSJIMTFYJJO-UHFFFAOYSA-N 418.567 1.233 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749043574 JCFZQZVDNNUWRG-CYBMUJFWSA-N 417.457 1.534 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1749066709 MXLXFBYAHANAQI-HSHZPNLASA-N 422.551 1.102 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1749426777 HHOISWOMZKSKDU-OWCLPIDISA-N 409.556 1.669 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1749709830 SJLMWFPOXAHHDJ-JYJNAYRXSA-N 418.498 1.289 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCSCC1 1750419520 POKBMXKRLCZNFX-ROAZCBAYSA-N 418.523 1.599 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)cs1 1751773984 WYAAUDDIAARALY-UHFFFAOYSA-N 423.568 1.265 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)n1 1751844870 GCQXMFVHECKNRU-LJQANCHMSA-N 400.462 1.108 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(N)=O)C1 1760132278 GOIXJPATSVSFMC-INIZCTEOSA-N 415.519 1.464 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187743 FORLAYHMFUUAOL-CQSZACIVSA-N 405.549 1.796 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760388538 QISGYFKOJZOFKV-LJQANCHMSA-N 403.508 1.355 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760452797 RWAKNHSAFIMVFE-INIZCTEOSA-N 402.499 1.296 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)F)CCOC1 1761273488 CSOPWWNDQNLUFZ-SCLBCKFNSA-N 414.457 1.438 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(OC)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1767692202 HQOYELPHGYVDEV-WBTXTPOCSA-N 413.478 1.612 30 10 HDEE Cn1nnc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC(C)(C)C2)n1 1769086789 CDDNYOYRKRBIAW-UHFFFAOYSA-N 407.482 1.927 30 10 HDEE COCCOCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771274046 MDAXWPSKFMVBMH-GOSISDBHSA-N 411.510 1.488 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)NCc2ccc(C#N)cc2)CC1 1851782342 BSRZZICEIQQZNZ-ROUUACIJSA-N 412.490 1.890 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@H](C(C)C)N2CCS(=O)(=O)CC2)c1C#N 1851784068 IKTDVNATNSUXIU-ZDUSSCGKSA-N 421.445 1.319 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 1851996807 KEQKPRDQNUBJPM-KXBFYZLASA-N 403.414 1.464 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)n1 1853355162 MQVAFZQTZPZQLB-LJQANCHMSA-N 412.515 1.850 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)Cn3cnc(C4CC4)cc3=O)C2=O)CC1 1853651515 KAQRMSWPLPFESQ-LJQANCHMSA-N 411.506 1.654 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(Cl)ccc2OC)C1=O 1854186760 UUNVHHIYQRVWAU-HOTGVXAUSA-N 405.882 1.808 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCN([C@H](C)CCC#N)C3(CCCC3)C2=O)c(=O)n1 1854454688 RWSQMUKVAHQTOJ-QGZVFWFLSA-N 413.522 1.926 30 10 HDEE C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854473195 IJFMMECPWHCHQU-SNVBAGLBSA-N 420.274 1.285 30 10 HDEE C[C@@H](Cn1cnc2c1CCCC2)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855006337 KWDPCTVKUJLAQZ-ZWKOTPCHSA-N 412.538 1.057 30 10 HDEE Cn1ccc(CC(=O)N2CCC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)n1 1855009562 JSTDAWODYCKMOC-IBGZPJMESA-N 406.490 1.626 30 10 HDEE CN1C[C@@H](C(=O)N2C[C@H](CN3CCC(C#N)(c4ccccc4)CC3)CC2=O)CC1=O 1855860929 BHDNDLUITFYPHC-ROUUACIJSA-N 408.502 1.397 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C2)CC1 1855905773 GMEZTEOAVOYJOQ-ROUUACIJSA-N 400.523 1.778 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(CCn4ccnn4)CC3)CC2=O)cc1C#N 1856009151 UIIPRGVKUXCUIJ-HXUWFJFHSA-N 406.490 1.859 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(CC(=O)N3CCOCC3)C3(CCCC3)C2=O)cc1 1856266059 DRVKBALWYAACHZ-UHFFFAOYSA-N 410.474 1.014 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)COCc3ccccc3)C2=O)C1 1857137231 OJNJJAKZWNGNTR-IBGZPJMESA-N 406.442 1.361 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)c1C 1857224113 XWHYWMXCWYITIB-QZTJIDSGSA-N 411.506 1.703 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(O[C@H]4CCOC4)nc3)C(=O)C2)cc1 1857378411 HJAGXVYQWFRLFD-IBGZPJMESA-N 406.442 1.606 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](C3CCN(CCN4CCCC4=O)CC3)CC2=O)ccn1 1857503662 KRZCRENQHIVANL-GOSISDBHSA-N 409.490 1.276 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 1860994259 KEKZWMZEFXPLAX-ICSRJNTNSA-N 409.486 1.391 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1 1870099711 UHEMYBNVPBPMCY-UHFFFAOYSA-N 400.398 1.651 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccc[nH]2)cc1OC 1874238034 NXMQDYKEJJZRDD-UFFVCSGVSA-N 400.464 1.674 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1889553121 YAPCXJMCWFFCNF-UHFFFAOYSA-N 405.564 1.497 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc(O)nc(O)c1Br 2011206017 KGTKAJBKHUHFIL-SSDOTTSWSA-N 401.217 1.505 30 10 HDEE C#CC[C@H]1CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)CCO1 2074733574 AZPULMWLFXMBNU-LIRRHRJNSA-N 408.451 1.065 30 10 HDEE CC(C)(C)OC(=O)N1CCC([S@@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)CC1 2118163264 PAQZBQQLDFBDER-RUZDIDTESA-N 406.530 1.184 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2174780706 XKUOHCYTJOBTEQ-NWDGAFQWSA-N 414.450 1.902 30 10 HDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)N1CC[C@@H](C#N)C1 2174781488 GJFWGMXFTWMRSQ-LSDHHAIUSA-N 402.517 1.034 30 10 HDEE CN([C@H](CNC(=O)OC(C)(C)C)C1CC1)S(=O)(=O)CC1(C#N)CCOCC1 2174786023 FPNRSYXIPXCHSR-OAHLLOKOSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)Cc1cccc(C#N)c1F)C(=O)O 2195346114 OQTDCJDNAOVFAH-ZDUSSCGKSA-N 400.428 1.980 30 10 HDEE C#C[C@@]1(C)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2221415139 PZTPGHCWFOWKKW-OALUTQOASA-N 408.451 1.065 30 10 HDEE CCS(=O)(=O)CNC(=O)N[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2233878630 IGFCOMLNNHFTJS-LLVKDONJSA-N 402.347 1.800 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](N)[C@H](CO)C3)sc2Cl)OC1(C)C 2281971366 VOXRCAATSQURHY-CMPLNLGQSA-N 400.737 1.482 30 10 HDEE CN(CCC1CNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282303950 CYITWIMXXQAVPQ-UHFFFAOYSA-N 420.793 1.931 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H](O)C(C)C 2282414988 ABMAXWMURAYWPT-CYBMUJFWSA-N 403.375 1.993 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CN 2282418093 GKKUROMBYASBFY-SJKOYZFVSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC[C@@H]3CN)c2)OC1(C)C 2282422690 FCGSUVRAKDBQLX-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(F)C[C@@H](CN)C2)OC1(C)C 2282488400 CJLHWCAZGOXGCS-AITUWYQGSA-N 404.338 1.403 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC(CCO)C3)ccc2Cl)OC1(C)C 2282492627 PPELKKPDLJSDBW-UHFFFAOYSA-N 401.721 1.642 30 10 HDEE C[C@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282499054 MSJUMVJVVFXUEM-SMDDNHRTSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3COCCO3)cc2Cl)OC1(C)C 2282832777 CGMAZBRYNPYUJD-JTQLQIEISA-N 423.749 1.394 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCC[C@H]1C1OCCO1 2282836462 KKWRTEXYQDFJMN-INIZCTEOSA-N 423.340 1.820 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282870112 MZZOPSYQGLIAIU-CYBMUJFWSA-N 401.359 1.580 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CN[C@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282871328 FGJLASRYBODKPM-MFKMUULPSA-N 400.375 1.693 30 10 HDEE CN(C[C@H]1CCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282883355 ZISQSBWLFLVMCF-ZDUSSCGKSA-N 400.375 1.418 30 10 HDEE CC1(C)OB(c2cc(Cl)c(C(=O)N3CCS(=O)CC3)cc2F)OC1(C)C 2282990060 NDBPDXALQMWCPF-UHFFFAOYSA-N 401.696 1.983 30 10 HDEE CC[C@H](CCC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284403082 NFPVRZQBEQHVAC-LLVKDONJSA-N 403.331 1.969 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](C)F)sc1B1OC(C)(C)C(C)(C)O1 2284407086 HCKDIVJOZJRRFJ-GXSJLCMTSA-N 407.294 1.445 30 10 HDEE CCCSC[C@@H](NC(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284455644 VQCXJRZKCBJTKW-LLVKDONJSA-N 400.331 1.769 30 10 HDEE Cn1nc(Br)c(=NC(=O)c2cccc(B3OC(C)(C)C(C)(C)O3)c2)[nH]1 2343043175 NZBHIFYEVXUUAN-UHFFFAOYSA-N 407.077 1.551 30 10 HDEE COC1(C#C[C@H](O)[C@@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362588333 YJPAWAXUIVSSQF-GJZGRUSLSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)[C@H](O)C#CC(C)(C)S(C)(=O)=O)CC1 2365192936 FHKSYLCTRBBESE-OAHLLOKOSA-N 402.557 1.505 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](Cc1nccs1)NC(=O)OC(C)(C)C 2365210437 KEXODJWDSRTHFX-KBPBESRZSA-N 415.581 1.994 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1(NC(=O)OC(C)(C)C)CCCC1 2367813329 CLXSNHLXWGLDMW-CABCVRRESA-N 400.541 1.353 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367817013 JPMOJTQDVZTQRR-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CC[C@@H]1CC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CN1C(=O)OC(C)(C)C 2367823497 PTANUWDQRSVYEJ-ZRGWGRIASA-N 400.541 1.435 30 10 HDEE CCOC(=O)N1CCN(C(=O)COC(=O)c2c(C)oc(-n3cccc3)c2C#N)CC1 7672198 GQRLVRAUEBMSQU-UHFFFAOYSA-N 414.418 1.708 30 10 HDEE C=CCn1nc(C(=O)NCc2ccccc2)c2c1CCN(CCN1CCOCC1)C2 23353783 RQDYKZWTMJVJSP-UHFFFAOYSA-N 409.534 1.689 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2cccc(F)c2)C1 34691443 SASKVOJWUAQTHE-PMACEKPBSA-N 410.486 1.179 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccccc2C#N)CC1 410195368 YRYLLLOJCZBGPE-DLBZAZTESA-N 405.524 1.108 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCCN(c2ccccc2C#N)CC1 410207952 XRHYLPSNKFAQSP-ROUUACIJSA-N 419.551 1.498 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)CCCC(=O)Nc1ccccc1C#N 428027786 BVVIQLLHTUBLGN-UHFFFAOYSA-N 400.460 1.782 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C 431226409 SQOBRUXKRNJOOM-UHFFFAOYSA-N 419.572 1.462 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 436066068 KCJSACGSYBOSAG-UHFFFAOYSA-N 413.499 1.831 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 438903188 OELRRDMNQXATLA-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)cc1OC 439903615 PRIPFEFDFJMMRB-LBTBCDHLSA-N 403.431 1.825 30 10 HDEE C=CCc1ccc(OCC(=O)N2[C@H]3CC[C@H]2[C@H](C(=O)OC)[C@H]3C(=O)OC)c(OC)c1 439934953 LSXNGBHXHZANPR-SLUIBLPYSA-N 417.458 1.754 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CSC 460541832 BDKVQAKWZGFROF-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE COc1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1N1CCNC1=O 460687910 JBOWGMCAICLILC-UHFFFAOYSA-N 406.446 1.454 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)C(=O)N1c1ccccc1 466188327 JFMQGCAFQUXXKB-VQIMIIECSA-N 404.474 1.979 30 10 HDEE C[C@@H](C(=O)N1CCNC(=O)[C@H]1c1ccc(OC(F)(F)F)cc1)n1cnc(C#N)n1 466351063 ZXHGHZKSPHSMEP-IINYFYTJSA-N 408.340 1.309 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)cc1C#N 489137915 ZHXAWTPJDBHTSL-AWEZNQCLSA-N 414.487 1.959 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)N3CCN(c4ncccc4C#N)CC3)cn2)CCO1 499679295 UMLSNYDPQNTIQQ-KRWDZBQOSA-N 421.505 1.605 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCN(C[C@H]2CCCCN2C)CC1 501062064 ANWBGTNYHOIPQN-HXUWFJFHSA-N 400.571 1.975 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(CC(=O)NC3CCN(C4CC4)CC3)CC2)c1 502165397 IQFFWOWWFRRTCH-UHFFFAOYSA-N 409.534 1.952 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1 504368894 BTNVUQYLZMQWRO-QGZVFWFLSA-N 405.520 1.770 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C2CCCCC2)CC1 508499172 XUURDMVQTGZTAD-QGZVFWFLSA-N 421.567 1.595 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 508904783 VZJJDTCZEXYRBL-MAUKXSAKSA-N 417.535 1.906 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3nc(-c4ccccc4)ccc3=O)CC2)n1 544835135 YCQNYTAHJMRZAY-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546177655 WCDUOPJQJJSWDL-UHFFFAOYSA-N 416.459 1.016 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 546696615 FAIIUFNOPRWTHD-ZDUSSCGKSA-N 406.460 1.868 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN2CCOC[C@@H]2C1 558996071 YHQDCKLDZCAQFD-INIZCTEOSA-N 421.505 1.289 30 10 HDEE CCn1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1ccccc1C 583774518 VFJKMAHDZUTILQ-UHFFFAOYSA-N 412.519 1.950 30 10 HDEE Cc1cc(N2CCCCC2)nc(NCCNS(=O)(=O)c2ccc(C#N)cc2)n1 585427347 JNULSPALSGIMQV-UHFFFAOYSA-N 400.508 2.037 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611841052 IEOUFCHODOMJTM-UHFFFAOYSA-N 422.898 1.897 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cnccc23)c1=O 611917527 WKNMIMLDPUAZJR-UHFFFAOYSA-N 402.479 1.426 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 619502730 AJIKYESHUDFEHY-HBFSDRIKSA-N 414.554 1.801 30 10 HDEE Cc1cc(C)cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 623010656 RBMJBCJEVKJLCV-UHFFFAOYSA-N 423.538 1.487 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c1 732066656 VRXBVCYYTGNXPT-SQRWCISFSA-N 410.430 1.861 30 10 HDEE CC(=O)Nc1cc(F)c(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732669245 KFWHALCTSUEEPL-GFCCVEGCSA-N 400.863 1.798 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OC(C)C 733672859 FREWABQIYPKDDY-UHFFFAOYSA-N 409.508 1.582 30 10 HDEE C#CCN(C(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 742051798 DMPOVZSGMYZBKA-CVEARBPZSA-N 414.524 1.051 30 10 HDEE C#CCN(C(=O)c1nc(C(C)C)n(-c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1 742052251 LQNCKPIIHWLOJN-CQSZACIVSA-N 404.467 1.792 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1C#N 746713494 UZNKKIOHSHPWER-UHFFFAOYSA-N 421.457 1.138 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 753820829 VZTNANCUQRNPOY-WKJNRGSKSA-N 410.478 1.257 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 762585905 VGCMJUHXDYSYTD-WTIFFKHKSA-N 406.483 1.665 30 10 HDEE CCNC(=O)C1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1 764080481 WNPUSFYHLTVHFD-LTGZKZEYSA-N 407.496 1.099 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 768752039 BTJHEUPQRUNHLD-MJGOQNOKSA-N 416.909 1.783 30 10 HDEE C#CCN(CCc1nc(N)c2c3c(sc2n1)CCCC3)[C@H]1CCS(=O)(=O)C1 772197663 BLUBLTBVAIWDMB-ZDUSSCGKSA-N 404.561 1.817 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2cc(C)cc(C)c2)CC1 773328039 FMQKYIQJSQJZLN-NRFANRHFSA-N 424.545 1.192 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 775367770 CEUDOVOBXPCDLQ-HOCLYGCPSA-N 422.507 1.394 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC(=O)CCCCOc2cccc(C#N)c2)cc1 777341657 CQHZUKASLZNOIO-UHFFFAOYSA-N 415.471 1.972 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 778790393 FRVNRGVEMOPPDU-CQSZACIVSA-N 419.484 1.928 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCN1CCc2c(Cl)cccc2C1 785873603 UGHOIIPGCOVXNB-VHEBQXMUSA-N 417.897 1.524 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cc3c(cc2OC)C[C@@H](C)O3)cc1C#N 786627366 PPMBFXYYHBIEOR-CYBMUJFWSA-N 409.442 1.831 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1C#N 786664336 ZNSZJAHFFXFZLL-UHFFFAOYSA-N 412.421 1.177 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)n1 788695557 UAJRFZQPHGWWDT-UHFFFAOYSA-N 408.436 1.270 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NC)ccc2C)n1 788820227 UTLXHHRLRYDOLD-UHFFFAOYSA-N 404.492 1.022 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 792657611 DZFNVMMQQDRJCI-GHOSXJJBSA-N 403.442 1.243 30 10 HDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)NC(C)C)n(CCOC)c1=O 794582291 VMEJHFATPGCUGF-UHFFFAOYSA-N 417.506 1.285 30 10 HDEE CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)c2ccnc(C#N)c2)ccc1Cl 795977369 WCJFXTUYISWGDK-UHFFFAOYSA-N 422.850 1.652 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)c1 812528118 ZOSNYNOXKGHPML-QGZVFWFLSA-N 417.418 1.568 30 10 HDEE N#Cc1ccc(C2(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CCC2)cc1 1130223077 NDBYKRURBKXWOS-INIZCTEOSA-N 414.487 1.219 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 1130824501 MVFOCQSNBLTUJQ-ZDUSSCGKSA-N 419.409 1.890 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(CN4CCNC4=O)CC3)CC2)o1 1134267589 AAVHFSYOWDQBQN-UHFFFAOYSA-N 400.483 1.335 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)CCCOc1ccc(C#N)cc1OC 1134706675 RMWNGURYLXVTBN-HXUWFJFHSA-N 400.435 1.670 30 10 HDEE C=CCCn1cc(C(=O)NC[C@@H](Oc2ccc(Br)cc2)C(=O)OC)nn1 1140430406 QDVXWPJZHYGVIS-OAHLLOKOSA-N 423.267 1.967 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)C[C@@H]3C3CC3)n[nH]2)c1C 1141222269 QJLWEPMSZOODNG-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1141479663 SMUJQRNSYKWQPY-OUKQBFOZSA-N 415.515 1.976 30 10 HDEE COc1ccc(-c2nc(CCNC(=O)CCN/C(O)=C3\N=CC=CC3=O)co2)cc1 1142966206 RIQWAXJQZLJVAT-FMQUCBEESA-N 410.430 1.925 30 10 HDEE N#Cc1cnn(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c1N 1149417383 UUWAUPZVRKWTMN-UHFFFAOYSA-N 411.846 1.871 30 10 HDEE C#CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)CC1 1153262149 IDBCIQNVPRIXTC-UHFFFAOYSA-N 404.532 1.611 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](Cc2ccccc2Br)C(=O)OC)CC1 1158195813 WBYHLYMMKGXHFC-KRWDZBQOSA-N 407.308 1.995 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(c3nncn3C)CC2)CCCN1C(=O)OC(C)(C)C 1164123237 BNICFQNJUHVWLQ-HXUWFJFHSA-N 404.515 1.810 30 10 HDEE C#C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C1CCOCC1 1167413304 DAVYZNBABGOOOY-ZDUSSCGKSA-N 401.282 1.255 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC1 1168716010 AMKRLTQMJKAXHB-UHFFFAOYSA-N 413.522 1.760 30 10 HDEE COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CC(O)(CC#N)C1 1169627751 HZDBTQLHLDAGLL-UHFFFAOYSA-N 424.457 1.855 30 10 HDEE C[C@]1(C(F)(F)F)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1174601095 LMVPNJQIGSLVOJ-KBXCAEBGSA-N 424.379 1.943 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccnn3C)C2)cc1 1203390938 AFJJSEZSTIVPAE-DYVFJYSZSA-N 403.464 1.711 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1228691683 XACOHICSWXHRAX-WBVHZDCISA-N 408.524 1.160 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)NCc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1235708257 UCTCGDKDVQUOEP-IBGZPJMESA-N 406.870 1.371 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Br)cn1 1248375827 PRVBTAZGRYPSLI-SECBINFHSA-N 419.239 1.306 30 10 HDEE Cn1nc2c(c1C(=O)Nc1ccc(C#N)c(Br)c1)CS(=O)(=O)CC2 1272170852 DAXMWGWAZYVKJR-UHFFFAOYSA-N 409.265 1.777 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1ncn(C)n1 1286274959 OXGBYQSVNUSIOJ-NSHDSACASA-N 403.288 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1286275498 SQSJLXIGNVCCRC-QWHCGFSZSA-N 408.528 1.680 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1286390818 FKDGSUGKFMBXKE-QGZVFWFLSA-N 408.568 1.920 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCNC(=O)c2ccco2)CC1 1286483508 NXMHYAMNARWGHR-UHFFFAOYSA-N 410.522 1.789 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286497383 QUTOVJVZNQGSDG-UWVAXJGDSA-N 424.567 1.753 30 10 HDEE C=CCCCCn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1286687926 NTZZCFVOCNEWKJ-KRWDZBQOSA-N 411.572 1.828 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1COCCO1 1286752973 PCUNEJAEOFYJEE-KRWDZBQOSA-N 418.519 1.942 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1286785009 BNLUMMILYNIHAZ-KRWDZBQOSA-N 406.494 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286821536 OLPROJIHWQRMJS-UHFFFAOYSA-N 412.560 1.071 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1288529282 HCGDLRJXZHHLGE-OAHLLOKOSA-N 415.523 1.690 30 10 HDEE Cc1cscc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1290354453 BOGUMZWKIFIDMX-MLGOLLRUSA-N 412.516 1.749 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cc3c(cc2Br)OCCO3)c(=O)nc1O 1290357663 BYCCIWPXLDNTRX-UHFFFAOYSA-N 421.207 1.383 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1293866788 GMMQAKGMCVLXGV-MRXNPFEDSA-N 415.542 1.693 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1)c1cc[nH]n1 1296046562 ULFYEYRQGRZQNL-CQSZACIVSA-N 408.455 1.274 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H](C)C(=O)OC(C)(C)C 1299227310 GBGXNWLBWYQQBI-KGLIPLIRSA-N 409.508 1.661 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnc(O)n3C3CC3)C2)C1 1300071581 CKHYQMJSRFQQGE-DAIAYTDJSA-N 416.482 1.722 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCOCC1 1300286970 QWBQMKZROKZWBX-KRWDZBQOSA-N 421.509 1.101 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1300622370 WWLKLULEYJKFCI-UHFFFAOYSA-N 401.467 1.397 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCc2nnc(C)s2)CC1 1300697455 CNVMTNSYHWLDPA-INIZCTEOSA-N 401.540 1.678 30 10 HDEE CC(C)(C)N1CC[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1300725228 YXBRZEFHYVTIAE-FUHWJXTLSA-N 411.506 2.000 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300764569 XYMVEPAKBFCNDI-MSOLQXFVSA-N 416.551 1.559 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H]1CCCS(=O)(=O)C1 1300801399 PSLHIVYAQNUVRF-DNVCBOLYSA-N 400.508 1.552 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCO2)CC1 1303011194 DYYSIQZRFXXIQA-DLBZAZTESA-N 407.540 1.879 30 10 HDEE Cn1cnnc1[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1303208532 YASNRPGJXQQPRH-ANZKDXPISA-N 414.510 1.918 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@H]1c1ncc(Br)cn1 1303920885 VVRIFYXCWSXXLJ-JTFSYWPOSA-N 420.267 1.819 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1305310839 GBLHEFQPLSPCLW-XJIUQZFPSA-N 400.549 1.281 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1CCC(=O)N1 1305522330 HMLQANWTGAPPSN-NVXWUHKLSA-N 408.510 1.663 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C[C@](C)(OC)C1CC1 1306193950 IBXDLFXHQUBUIJ-NRFANRHFSA-N 412.542 1.896 30 10 HDEE O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1308062828 WLXTWMDHNAGLSI-CEXWTWQISA-N 423.513 1.418 30 10 HDEE C#CCN1CCC[C@@H](NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 1308521808 YRZNTYJCYYDUJI-LJQANCHMSA-N 401.507 1.120 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(F)cc1C 1312919132 QZRPDTOWNDUOKH-APWZRJJASA-N 401.486 1.421 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CCOCC1 1313042861 JNXHTYDVIBFMEX-DYESRHJHSA-N 407.511 1.836 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1313241123 GOXHDPVMVSYEBL-ZNXRZULTSA-N 402.520 1.746 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1316106541 GBYCTPPLLVBYEX-OAQYLSRUSA-N 423.477 1.278 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)C1 1320037257 DYDMXBHIQHBAOX-KRWDZBQOSA-N 407.536 1.493 30 10 HDEE C=CCn1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)OC)nn1 1349795194 YEPVTXGOMSGXQJ-INIZCTEOSA-N 400.435 1.784 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)C)N1Cc2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 1352905234 NTYANGXZXLOOQH-IEBWSBKVSA-N 402.516 1.706 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1358935318 FADBLMVLULBBJD-MRXNPFEDSA-N 407.515 1.958 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358961050 QUGXBGYKJVNTHO-DLBZAZTESA-N 403.508 1.392 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCn2ccnc2C1 1358985994 LONRCLYBNABGJK-MOPGFXCFSA-N 410.522 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)CC 1358987348 CUEODAFRROGVBO-UHFFFAOYSA-N 415.475 1.751 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC2CC2)n1CCS(=O)(=O)NC 1359017665 NMWQIDICKVKOOL-UHFFFAOYSA-N 405.499 1.559 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N(C)C 1359023044 WXZQPMLSNIVICI-UHFFFAOYSA-N 421.505 1.695 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1359151180 OMHOOJNXWCQXGX-MCIONIFRSA-N 415.947 1.598 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCSC2(CCOCC2)C1 1359300117 UJFPEWJIHJISME-MRXNPFEDSA-N 421.567 1.577 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCNC(=O)[C@@H]1CC 1359303766 ADWFEAMMANUWMP-KRWDZBQOSA-N 412.494 1.183 30 10 HDEE N#CCN1CCC(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1359912934 NKOJEDUNDNKTIH-ZDUSSCGKSA-N 416.956 1.659 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)N3CCc4sc(S(N)(=O)=O)cc4C3)n2)c1 1453722352 UTYFOUBBLVOCKL-UHFFFAOYSA-N 413.484 1.651 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cc1 1454682272 IOSSNLDBOMJBFV-UHFFFAOYSA-N 413.499 1.967 30 10 HDEE COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cnn(CCC#N)c1C 1458068858 MWKZABOAAJSKMN-NSHDSACASA-N 401.398 1.788 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CCCON2C(=O)c3ccccc3C2=O)C1=O 1458937721 YVVHZBIGEQYXGU-JOCHJYFZSA-N 418.409 1.943 30 10 HDEE C=CCN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)[C@@H](Cc1ccccc1)C(=O)OCC 1458996539 IZBPWSNHDRXRSN-FXAWDEMLSA-N 408.520 1.647 30 10 HDEE C[C@@H](C(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1CCC2(CC1)CC(=O)C=CO2 1460862362 VTZUGVTUWXDKDX-AWEZNQCLSA-N 415.446 1.832 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(Cc2nc(-c3ccccc3)no2)CC1 1464014745 LFFWECFKBNPFFZ-UHFFFAOYSA-N 404.430 1.975 30 10 HDEE COCCn1nnc2c1CCN(C(=O)Nc1ccc(Br)c(C#N)n1)C2 1467117555 CDSMKJMYKCDMNC-UHFFFAOYSA-N 406.244 1.544 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1468526176 LUBFROZKHKEXQY-CTNGQTDRSA-N 416.474 1.800 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1Cc2cccc(C#N)c2C1 1469689627 GUDJYFDRKWAAKJ-INIZCTEOSA-N 407.492 1.728 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 1470391427 FMGDGBZIKPVVST-WCQYABFASA-N 405.398 1.405 30 10 HDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471130323 HRVATRNFXKWTAJ-QGZVFWFLSA-N 401.419 1.680 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 1478737335 VQTRTWNBGOIQFA-FQEVSTJZSA-N 414.550 1.880 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C2CCC2)n1CCCNS(C)(=O)=O 1503476978 RDVRJFNPMHEIER-UHFFFAOYSA-N 402.524 1.993 30 10 HDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)CCCCC1 1504046508 DDZRYYUPNAADAU-HNNXBMFYSA-N 424.571 1.978 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@@H](C)C1 1504886187 ACEOZCYDXIDJDF-DLBZAZTESA-N 404.515 1.582 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@@H]1C 1504962865 SSRFVXYYWBWLMM-ZWKOTPCHSA-N 420.558 1.853 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1505323303 FGZYJCKMPXAGEK-GJZGRUSLSA-N 407.521 1.094 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1507552635 RMDVQDJGUUOYEQ-VQTJNVASSA-N 423.517 1.827 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1507592015 RAYVSHBDMDITFR-LSDHHAIUSA-N 402.499 1.746 30 10 HDEE C#CCN(c1nnc(C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507629178 ZXKIPVHHEFAGDG-SOLBZPMBSA-N 423.583 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H]1C 1507667528 NWCSCBFQGLOCJG-QGZVFWFLSA-N 408.506 1.953 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)COC)CC1 1507809731 XHFPLQISPZCHJI-YQVWRLOYSA-N 419.526 1.406 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)CC)n2CCN2CCN(C(C)=O)CC2)C1 1508109975 QCVYOKGPSAIDPQ-IEBWSBKVSA-N 404.559 1.737 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C(N)=O)nc2)C1 1508130312 UGAYKNIKXRWXGL-SFHVURJKSA-N 419.489 1.587 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)C(C)(C)C)cs1 1511547789 VTXZEPCBHDPKGU-OAHLLOKOSA-N 417.539 1.525 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CC[C@](C)(C#N)C2)o1 1533110924 YEBDSMWQVXJKAA-FZKQIMNGSA-N 409.464 1.372 30 10 HDEE C#CC[C@H](COC)NC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1534145996 NJKTZZWKRYKCHQ-CYBMUJFWSA-N 403.298 1.224 30 10 HDEE COC(=O)c1cnn(CC(=O)Nc2ccc(C#N)cc2I)c1 1535358117 TXFALBMNKKBQQW-UHFFFAOYSA-N 410.171 1.785 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1539193628 GTZCBOIFXGWMQY-CQSZACIVSA-N 421.548 1.164 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](F)COC 1539258206 UFIADGZAKYWKOB-OAHLLOKOSA-N 418.498 1.296 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1539260398 PSKBNJHKUDMCNJ-GOSISDBHSA-N 404.474 1.009 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@H]1COCCO1 1539400979 OOMALOWAJVPHJN-GOSISDBHSA-N 422.489 1.837 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCN(C)C(=O)OC(C)(C)C 1539409137 PHLJBITUITVERV-UHFFFAOYSA-N 415.498 1.688 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539513291 MFOPPYUATBPASB-UONOGXRCSA-N 408.553 1.359 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539812380 NSQCYIQAIJGMMV-QWHCGFSZSA-N 420.926 1.737 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nncn2CC)CC1 1539874478 GWIULIITAGGDCA-FQEVSTJZSA-N 401.515 1.992 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1540869390 LAGMKZZMEFSMBB-UHFFFAOYSA-N 417.535 1.888 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)C)C1 1540892133 GDECMYWZXLTNDZ-HOTGVXAUSA-N 413.544 1.048 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1541803395 HMGTUTCUHKHUNJ-HUUCEWRRSA-N 420.514 1.850 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCC(=O)[C@@H]3C)nnc12 1559039640 FVBQKKXYLFRAFR-ZDUSSCGKSA-N 411.487 1.902 30 10 HDEE CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)[C@@H]1CCC[C@H]1C#N 1560060521 PLTJRSGOTYEHBU-FUHWJXTLSA-N 404.536 1.840 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ncccc1F)[C@@H]1CCS(=O)(=O)C1 1588059445 OFSQUGOPSKWCGF-CQSZACIVSA-N 407.471 1.080 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(COC)cc1 1588139897 SDCQECKWPJVLGC-LJQANCHMSA-N 412.515 1.448 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOc2ccccc2)CC1 1588865251 QZTSSKDPWPKCPH-UHFFFAOYSA-N 419.533 1.974 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1589048073 TYWCMRWAPVSZEU-YRNRMSPPSA-N 416.551 1.818 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1593900578 OQMPSRRDPRKDAV-UHFFFAOYSA-N 423.974 1.644 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nnc3n2CCC3)CC1 1594193086 OCFGOTZOKSJFSM-HNNXBMFYSA-N 401.515 1.991 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1594615942 MHFCLUSENIEPCV-LSDHHAIUSA-N 410.544 1.104 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(C)c1C 1595501318 PTVOTBKCIDKLHK-UHFFFAOYSA-N 404.478 1.797 30 10 HDEE COC[C@@H](NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1597546078 CXOSYHWAPJKGQJ-IAGOWNOFSA-N 417.462 1.697 30 10 HDEE CSCc1n[nH]c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1598037029 GOSHKAQKYOHMBN-LLVKDONJSA-N 404.883 1.862 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(F)c(Br)c3)C2)c(=O)nc1O 1607489665 RNMTUNMFCXIZMB-UHFFFAOYSA-N 407.199 1.348 30 10 HDEE C=CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1611408174 HYHWZQGWSKJCMT-HIFRSBDPSA-N 420.462 1.689 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccccc3-n3nccn3)C2=O)cc1 1616266923 BKRYDUJGVPGGJH-QGZVFWFLSA-N 415.413 1.983 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)c2sccc2CC#N)c1 1616330714 KMJJGQLNSSWXSP-NSHDSACASA-N 406.489 1.479 30 10 HDEE Cc1ccc(C(=O)N[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(C)C)cc1 1617486562 FWQLHEKFQNWVFZ-ZWOKBUDYSA-N 403.504 1.146 30 10 HDEE COC[C@H](F)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1619610607 VFYQFBWBJGSIJX-WBVHZDCISA-N 416.457 1.861 30 10 HDEE COC[C@@]1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1624339579 VDKVYWOPAYENCB-QXKOCSRTSA-N 407.511 1.631 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(OCCOC)nn2)c1 1625395989 FQXYVZIEZHPFFH-UHFFFAOYSA-N 403.460 1.229 30 10 HDEE C=CCC[C@H](NC(=O)[C@H](CSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)OCC 1627753237 YVXPCWOOZJHPDN-VGWMRTNUSA-N 410.536 1.907 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCCC[C@H]1C(=O)NCC(F)F 1627777940 FEYVOUARUNTNFU-INIZCTEOSA-N 418.448 1.913 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCNc3ncccn3)C2)C1 1628298817 KFOMBHPXPJTXIV-CHWWFWEZSA-N 400.483 1.792 30 10 HDEE CN1C[C@@H](C(=O)NCc2cccc(OCC#N)c2)N(C(=O)OC(C)(C)C)CC1=O 1628995833 FCSAMZSOEGRYIQ-INIZCTEOSA-N 402.451 1.283 30 10 HDEE C#CC[C@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1631450434 QUDIFXPYHPIEFV-QGZVFWFLSA-N 403.479 1.052 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CCSC)C(=O)N(C)OC)c1 1632414793 OQNJXWXBIKZUHU-INIZCTEOSA-N 412.533 1.355 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1634691118 RUBLEURPYLWNIS-GJZGRUSLSA-N 416.544 1.504 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)c1 1637910154 DVUKZBYNVQWLCV-QGZVFWFLSA-N 403.391 1.600 30 10 HDEE C[C@@H](CC(=O)NCCCNC1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 1638377360 PHLVTTRMPRHVMO-HNNXBMFYSA-N 406.552 1.932 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 1638449031 QEKSMWXGFVZHHQ-UHFFFAOYSA-N 418.563 1.989 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H](NC(=O)c3ccccc3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1639174972 HXLZBENRJKKOAZ-JQVVWYNYSA-N 423.494 1.554 30 10 HDEE C#CCN(CC(=O)N1C[C@H](C(=O)OC)Oc2cc(F)ccc21)C(=O)OC(C)(C)C 1639648012 MKDDBAONAPZBKE-MRXNPFEDSA-N 406.410 1.963 30 10 HDEE CON=Cc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1639894751 KUCTXPYAFOJBJX-UHFFFAOYSA-N 420.447 1.626 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@@H](C)S(=O)(=O)C3)ccc2c1=O 1639977542 PVMOXYABULCOFE-DGCLKSJQSA-N 407.517 1.567 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1640619308 DDLNTOLPYKMQOP-HIFRSBDPSA-N 406.401 1.570 30 10 HDEE CN1C(=O)N[C@@](C)(c2ccc(NC(=O)CNC(=O)c3ccc(C#N)cc3)cc2)C1=O 1643844103 MMLRMDSSGDHZAI-NRFANRHFSA-N 405.414 1.324 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1644856552 JIXRNLAXQXOTSL-IIVZCXTMSA-N 410.923 1.772 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)cc1B1OC(C)(C)C(C)(C)O1 1646488701 MPCPABQZNZIDSQ-VQTJNVASSA-N 414.355 1.965 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)cc1 1648776558 VOXRORJKAZJNCQ-SHTZXODSSA-N 409.508 1.936 30 10 HDEE Cc1sc(NC(=O)CN2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)c(C#N)c1C 1660165313 FTPVXXALJLHAGW-MRXNPFEDSA-N 421.548 1.770 30 10 HDEE CC(C)O[C@]1(CS(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)CCOC1 1663720061 FDXOLHMRMUXCSF-LJQANCHMSA-N 411.499 1.733 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cnc(C(F)F)c(C(=O)OCC)c2)C1 1664135285 LDJNQACYDKYSEE-LBPRGKRZSA-N 401.435 1.572 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(c3ccc(C#N)cc3)CC2)cn1 1666433142 BZGXVMNHEXCSQQ-UHFFFAOYSA-N 405.501 1.925 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OCC)c1)C(=O)OC 1668852053 AWHYESAHBRVWHS-CQSZACIVSA-N 405.856 1.539 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCOc4cc(Cl)ccc43)C2)c(=O)nc1O 1670972762 MSXQCDLDCIGYHD-OAHLLOKOSA-N 415.837 1.954 30 10 HDEE COc1ccc(NC(=O)N2CCC[C@@H](C#N)C2)cc1S(=O)(=O)N1CCOCC1 1672601004 DXODKRVMKQEZPP-AWEZNQCLSA-N 408.480 1.484 30 10 HDEE CSc1ccc(CNC(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1C#N 1676035513 PLKUNVUEQMFXCF-AWEZNQCLSA-N 401.536 1.774 30 10 HDEE CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)Cc2cccnc21 1682021863 OGFAXFHZYBSXBH-LJQANCHMSA-N 404.474 1.716 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)nn1 1682296250 NYYICVVLYJMBKN-NRFANRHFSA-N 423.477 1.688 30 10 HDEE C=CCN(C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)[C@@H](C)COC 1684330595 OOPLDRQYIZYZNX-KRWDZBQOSA-N 424.567 1.355 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686036004 MONQSFHGVUPGQS-QEEHTWDDSA-N 402.520 1.087 30 10 HDEE C[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1687734986 FDPAHQPOKRVDLF-LLVKDONJSA-N 420.267 1.686 30 10 HDEE C#Cc1cccc(NC(=O)CN[C@@H]2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)c1 1688992054 FKDIQJJSIZFSNE-SDGSYIHLSA-N 407.514 1.904 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOc2ccccc2)CC1 1689928680 UKGXBRVNUMATFC-FQEVSTJZSA-N 422.533 1.844 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCCC1 1690077106 IRZWGRFAKQNOHN-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)cc2OC)CC1 1690122197 JZHDAPLOBUQGIC-GOSISDBHSA-N 424.505 1.050 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)C(C)(C)C)CC1 1690135181 QMGNPKJWMMXLEF-OTWHNJEPSA-N 419.570 1.818 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1690211354 YYPLOYNLAJDJKO-WOJBJXKFSA-N 415.519 1.413 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690309618 FOKCMNWHBOMWAW-KKSFZXQISA-N 419.526 1.596 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nnn(C)n1 1690603977 LWABIPCZTCATFY-MRXNPFEDSA-N 407.482 1.036 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)C1 1692433696 DKELLWSSQBHSQT-ROUUACIJSA-N 413.526 1.369 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1692851205 BZIUQMVPOPBLQP-BEFAXECRSA-N 417.539 1.685 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC(=O)N2)CC1 1698492582 IAKIIQPTJBEJFN-OAHLLOKOSA-N 408.466 1.334 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccco2)CC1 1705520022 FXPDGRBSYVAZEY-UHFFFAOYSA-N 424.505 1.759 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1705531918 ANTWLMLIRBHWNS-LJQANCHMSA-N 417.554 1.955 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCn1ccnn1 1705579707 QCFGQUOAGGEJBM-UHFFFAOYSA-N 411.473 1.885 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1705638960 CLJQSQMEENWKKV-AQNXPRMDSA-N 401.555 1.988 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)Cc1ccccc1 1705846383 CWWWPRPZJMXMIH-UHFFFAOYSA-N 417.535 1.638 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(C)(=O)=O 1705883210 ZXTUZHYBNDJIJS-UHFFFAOYSA-N 408.480 1.357 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)CC 1705898597 QVUWJCFDIRSQSI-OAHLLOKOSA-N 409.498 1.705 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)N2CCOCC2)C1 1705925807 UTFHFSLUMNDADY-IRXDYDNUSA-N 405.499 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCOC1 1705934915 ANSWADCOVYYROA-KRWDZBQOSA-N 419.551 1.728 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1)N(C)C 1706782982 GBHHZGKGNDVJBN-QGZVFWFLSA-N 417.521 1.883 30 10 HDEE CC1(C)CN(CCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCO1 1706955470 BGJBQYNVUGQFBE-SJORKVTESA-N 404.515 1.012 30 10 HDEE Cc1nnc(CCCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)s1 1707846542 RYHYUYRUBDZISQ-MRXNPFEDSA-N 410.507 1.785 30 10 HDEE CN(C)C1(Cn2c(-c3cnccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1711001036 FIKDPYXMHCJQTJ-SFHVURJKSA-N 400.462 1.288 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(SC)CC2)CCO1 1711362808 GFLGHDRTVFJYPH-INIZCTEOSA-N 412.519 1.664 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1=O 1712471055 YTSDPSGUXOKMPL-MSOLQXFVSA-N 416.526 1.407 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722321524 GWQBCNQEMDMGCM-IERDGZPVSA-N 403.527 1.994 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)C1(OC)CCOCC1 1722342402 YAAYRZYHAZKGGJ-UHFFFAOYSA-N 411.453 1.414 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccoc1)[C@H]1CCS(=O)(=O)C1 1722368987 XMNOLVIFJYNXIU-IRXDYDNUSA-N 404.492 1.440 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1722375526 OUWHBHOWTSEZEE-UHFFFAOYSA-N 420.351 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1ccn(C)n1 1722391843 WJSFMIZGXYBYMR-QFIPXVFZSA-N 410.522 1.758 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCCC2)CCOCC1 1722429029 MGIGNPHQERGDCJ-LJQANCHMSA-N 417.554 1.513 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(N)=O)C1 1722457979 AOYHRRVYGPQXQK-ZDUSSCGKSA-N 416.507 1.074 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722507359 FGBJEBQZENFUGY-FUHWJXTLSA-N 411.572 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1722511500 ZZLOYLLJGCEPIR-OPYAIIAOSA-N 418.586 1.858 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722703464 AGQLOELMSHUUKH-XGHQBKJUSA-N 421.542 1.482 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCc2nc(C)no2)C1 1722714667 OAHAUSHOUXHZGR-LSDHHAIUSA-N 401.471 1.335 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@@H](C)C1 1722865391 FNRRXNBQTOVWDT-SJORKVTESA-N 400.531 1.775 30 10 HDEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1726713754 DCOATVWARDHOBE-DNTCVELPSA-N 414.510 1.762 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1729221118 SPCZCBRCQIDOBM-LPHOPBHVSA-N 424.571 1.979 30 10 HDEE CCSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1729282616 QVFPTGWEDKJHBY-SWLSCSKDSA-N 404.537 1.473 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC=CCO1 1731188385 JDZKCJDMNROJQJ-IRXDYDNUSA-N 405.524 1.655 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1740602862 XWRZPHNRBAXRTH-ZZEZOPTASA-N 406.446 1.550 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1740762827 WBJSFKZNOJXMQS-SQNIBIBYSA-N 419.551 1.901 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1740775970 JPVYMZPAROYMNA-KRWDZBQOSA-N 406.556 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)[C@@H](C)C1 1740990231 MVQZNYUFXYTIML-KBPBESRZSA-N 421.523 1.699 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CC[C@@H]2COCCO2)C1 1741987430 CEYVIYULNCDLAG-OXQOHEQNSA-N 402.499 1.336 30 10 HDEE C[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CCCS1 1742011992 GUSZJYJXJZNRTJ-CKEIUWERSA-N 411.553 1.195 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1747368247 LDQGSSVGIPIXHN-RXVVDRJESA-N 418.542 1.532 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1748667371 SFYLZAUATOMJOO-MAUKXSAKSA-N 408.506 1.875 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1748715279 PAZYEHZEMXZBMA-INIZCTEOSA-N 402.524 1.453 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1748811879 NENKIJPQCNNOQJ-SFHVURJKSA-N 424.530 1.548 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCSCC1 1748857543 CMNNQHQDCMUNAT-HXUWFJFHSA-N 423.542 1.912 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCS(=O)(=O)C1 1748965180 OALSLOBIYNVGJW-SFHVURJKSA-N 417.535 1.175 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1749033944 RYKVEBIHBAZKLW-JCYILVPMSA-N 418.567 1.479 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749198615 OPAGUOHDWMTEKV-UHFFFAOYSA-N 410.522 1.915 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1749328393 OTXXZXIZYQPEMD-GHTZIAJQSA-N 413.478 1.474 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCN(C(=O)C(C)C)CC1 1749657665 AKAAMRRBAHITDI-UHFFFAOYSA-N 414.510 1.843 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOCC1 1749686961 HXJYDCUJHRALSH-HNNXBMFYSA-N 421.523 1.338 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749760101 BWAHHMCKCYSOCN-LSDHHAIUSA-N 404.540 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1760096473 MGTIUTQTZGVREG-HNNXBMFYSA-N 409.494 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(SC)CCOCC1 1760098497 SXPSBPYNYUNIBZ-KBPBESRZSA-N 415.585 1.258 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1ccnc1C 1760105300 NOBJOFCGBNRPBK-HNNXBMFYSA-N 402.466 1.584 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(-n2cccn2)cc1 1760194087 ZBNRCXZBWQPVOH-UHFFFAOYSA-N 415.501 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@@](C)(CC)O1 1760251296 WDVXJPYCKJYCOH-DYESRHJHSA-N 403.527 1.834 30 10 HDEE C#CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2Cc2ncn(C)n2)CC1 1760263426 ARESYPJXKKSLAC-UHFFFAOYSA-N 422.562 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2([S@](C)=O)CCC2)CC1 1760272114 ZGFOSXQWRFPEIO-LJAQVGFWSA-N 417.579 1.498 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760321621 IOUSYJMQKOBGEY-TVFCKZIOSA-N 424.567 1.777 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760436100 HUKZPWCSBUYFOC-UHFFFAOYSA-N 424.553 1.836 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)no1 1760495586 RTZUHBFOXWSVCI-INIZCTEOSA-N 422.511 1.134 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760534004 YHGOHVBQFFOEBE-QGZVFWFLSA-N 419.551 1.972 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2Cc2ncn(C)n2)C1 1760546106 ITWSDYVKUXWMKI-QGZVFWFLSA-N 409.494 1.836 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1760560290 RLMLYUTXNCTTGF-UONOGXRCSA-N 403.574 1.423 30 10 HDEE CCc1nnc(N(C)CCCc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1762890046 ZUXYOVPWLDGAHE-VXPUYCOJSA-N 409.494 1.831 30 10 HDEE CC[S@](=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766751141 NGXCHMAYULRVSS-DDARLKAASA-N 406.556 1.117 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1nccs1 1767942464 LZOWDUXJNCDDEU-UHFFFAOYSA-N 410.507 1.913 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1769559385 DVKKAHBJIGJRRQ-DYESRHJHSA-N 412.494 1.525 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1ccnn1 1770201698 BRDIKGGEOPLCPX-RLFYNMQTSA-N 404.450 1.126 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCN(CC(F)(F)F)C2)CCO1 1770746570 BSGDAUCUODPQKG-SOUVJXGZSA-N 414.432 1.395 30 10 HDEE Cc1ccc(S(=O)(=O)N(C(=O)CC#N)c2ccc(N3CCOCC3)nc2)cc1 1851327190 SMAXYNGCEBJMTE-UHFFFAOYSA-N 400.460 1.862 30 10 HDEE Cc1cccc(C)c1N(C(=O)[C@H]1CCCN1S(C)(=O)=O)C(=S)N=CN(C)C 1852490097 QGIVHXLFRGMMDI-OAHLLOKOSA-N 410.565 1.935 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nnc(C)o3)C3(CCCCC3)C2=O)CC1=O 1853661393 URGVBIHKILDZDX-INIZCTEOSA-N 415.494 1.286 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CCCc4cc(C)nc(OC)c43)C2=O)CC1=O 1853792917 AVIFRTWTSLXUSC-DLBZAZTESA-N 412.490 1.313 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(CC(F)(F)F)CC3)C2=O)ccn1 1854110930 WJSZAFGIAUHEQP-MRXNPFEDSA-N 409.412 1.654 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@@H]1C 1854735350 GXCXXVXHMVGOSK-UONOGXRCSA-N 402.520 1.404 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1854781205 CMLFJROCPIPFEM-WMZOPIPTSA-N 409.552 1.360 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1 1854987490 ZVEDCGPNDIFVHK-SFTDATJTSA-N 410.518 1.415 30 10 HDEE CCCCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1855620273 HHYGENXRRJVUEH-QGZVFWFLSA-N 418.519 1.784 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)CCOc3ccccc3)CC2)CC1=O 1856075239 IWEKDIQVVXYSKZ-QGZVFWFLSA-N 419.503 1.396 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CCc3ccccc3)C2)CC1 1857026392 LDILNHWLGYAAGP-GOSISDBHSA-N 403.504 1.560 30 10 HDEE Cc1cccc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858334329 FUGTXYNHSACJFB-INIZCTEOSA-N 405.501 1.608 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858336019 RIRITGXAUOTMNI-MRXNPFEDSA-N 423.491 1.747 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2cccnc2Cl)cc1 1858652220 ZRZLVRVTGJUYTH-UHFFFAOYSA-N 408.867 1.839 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1Cc1ccccc1F 1866913904 RBJIALOVLYZZBS-PMACEKPBSA-N 410.449 1.778 30 10 HDEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(=O)n(C)c(=O)n(C)c21 1873599481 YCUIBNZDNPLCQZ-UHFFFAOYSA-N 412.446 1.042 30 10 HDEE COCc1nnc(SCCO)n1/N=C/c1cc(Br)c(O)c(OC)c1 1874505122 BNCJRTUQWQMVCY-FRKPEAEDSA-N 417.285 1.868 30 10 HDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NCCCO)ncnc21 1875229322 VLEPPRCSLHCVNY-UHFFFAOYSA-N 401.467 1.391 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N[C@@H](CS)C(=O)O)[C@](C)(C(F)(F)F)C1 1882729032 HZSKPAWOWQCYLY-UINNMSKDSA-N 400.419 1.921 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(CC(=O)O)s2)CCN1Cc1ccccc1 1914765331 VWQIKZVVADONDD-OAHLLOKOSA-N 405.501 1.774 30 10 HDEE C#CCCN(C1CCOCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1964017671 OFSXIXWMZQFFRS-UHFFFAOYSA-N 418.515 1.897 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 1982297997 LWVHDZJOMMXRDQ-RYUDHWBXSA-N 413.334 1.839 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N[C@@H](CCS)C(=O)O)C1 2059761510 YTBPXTOSFGSXFA-YZVOILCLSA-N 410.492 1.692 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC[C@H](C#N)C2)C1(C)C 2184351892 HXFWPJXTVLSXIZ-ILXRZTDVSA-N 400.545 1.996 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)C[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674163 GCBMCDDQVGWDRY-LSDHHAIUSA-N 408.304 1.498 30 10 HDEE C[C@@H](CN(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247856522 AHNHSPJUNAZFKM-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373088 YMUVAICRKJXTJE-GHMZBOCLSA-N 407.388 1.438 30 10 HDEE C[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269039659 USTHYUAGLQNPNQ-MRVPVSSYSA-N 409.722 1.794 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@](C)(C#N)C1)NC(=O)OCc1ccccc1 2270519736 ZDIHIEBERYSEHC-VQIMIIECSA-N 423.491 1.410 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC(C)(C#N)CC1)NC(=O)OCc1ccccc1 2270522812 WEOPCKDTQGHPPK-MRXNPFEDSA-N 423.491 1.410 30 10 HDEE C[C@@H]1CN(C)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282330924 HGSHQPGRLTWRCQ-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC(C)[C@@H]1CNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342701 KYEQQGKRUFNYNV-AWEZNQCLSA-N 400.375 1.666 30 10 HDEE CCC[C@H](CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503333 YOCOYQAPYBMWCR-GFCCVEGCSA-N 404.363 1.413 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3(S(N)(=O)=O)CC3)c2Cl)OC1(C)C 2282642708 QYOXPAYDGQQGDZ-UHFFFAOYSA-N 420.749 1.252 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2CC(F)(F)C2)OC1(C)C 2282833995 NUQVZOBIUKWPLY-UHFFFAOYSA-N 408.301 1.907 30 10 HDEE C[C@@H]1OCC[C@@]1(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835073 PELKGZPTNYIUJA-MEDUHNTESA-N 402.347 1.429 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](N)CC1(C)C 2282836754 OPSUKJOHPPWSGK-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H](CCN)C2)OC1(C)C 2282843587 PWNJTGSLDXSEBW-ZDUSSCGKSA-N 400.375 1.548 30 10 HDEE C[C@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846873 QDPDTFDSWPIGNJ-VHRBIJSZSA-N 401.721 1.687 30 10 HDEE CC1(C)[C@H](CN)C[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854171 OGHVZXZBGVRXKC-WCQYABFASA-N 400.375 1.699 30 10 HDEE CCNC(=O)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282872053 PPGBCDWQQPTYDB-UHFFFAOYSA-N 402.347 1.079 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NOC(C)(C)C(=O)O 2284402392 IUYYVBPVNFAUTB-UHFFFAOYSA-N 405.303 1.429 30 10 HDEE CS[C@@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405921 RGMSQBOIZLRFAY-ONGXEEELSA-N 421.371 1.530 30 10 HDEE CC(F)(F)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415465 XUKCFHWVZUGFAP-SNVBAGLBSA-N 411.257 1.434 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2302856015 CCOIEEONYCXOCH-AWEZNQCLSA-N 411.267 1.891 30 10 HDEE CCCOc1c(OC)cc(C=NNC(=S)NCCN2CCOCC2)cc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c1ccccc1 6020060 SHFUZTLXAWLVAB-PXARDIRTSA-N 401.463 1.530 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCOS(=O)(=O)c1ccc2[nH]c(=O)oc2c1 169875677 FMTQEVNKUAYUQK-UHFFFAOYSA-N 402.384 1.513 30 10 HDEE C#CCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)[C@H]1CCS(=O)(=O)C1 251660871 KUGRXTLUWHTJPM-QKLQHJQFSA-N 419.547 1.361 30 10 HDEE CCN1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)CC1 301357146 KXVZCLPJWOYAHJ-UHFFFAOYSA-N 400.508 1.355 30 10 HDEE COc1cc(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)ccc1C#N 427152059 HJNFRVFBIMYJMD-UHFFFAOYSA-N 416.459 1.827 30 10 HDEE Cn1c(=O)nc(O)c2cc(S(=O)(=O)N[C@@H](CCCC#N)c3ccccc3)cnc21 431643546 BVGOZEGKZRRVDK-INIZCTEOSA-N 413.459 1.748 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cnn1-c1cccc(C#N)c1 443686243 DSTIACOOGQRLJP-GOSISDBHSA-N 422.489 1.178 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOC[C@@H]1C#N 464790012 ADLBICXZSOVFJM-YPMHNXCESA-N 401.282 1.610 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@H](NC(C)=O)c2ccccc2OCC)CC1 476788067 JHYCJRIRXVDHSR-IBGZPJMESA-N 416.522 1.099 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nccn1CC(F)(F)F 481549302 WVRHFJYRPODXBI-NSHDSACASA-N 415.397 1.300 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1cn(-c2ccccc2)nn1 483109413 WDSQWTJAYNNFAW-GJZGRUSLSA-N 424.486 1.683 30 10 HDEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nnc1-c1cnccn1 488905888 FUTRGXIZRFUEQP-LBPRGKRZSA-N 401.496 1.139 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)N=c3cc[nH]cc3)cc2)cc1C#N 489110137 WQIVJPPVDKTPFQ-UHFFFAOYSA-N 407.455 1.809 30 10 HDEE C=CCC[C@H](C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 489640774 BKIQPMUUIOKIMS-IBGZPJMESA-N 407.536 1.458 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NCc1cn(CCC#N)nc1-c1ccncc1 500538671 WJOWYGXHGTZPHP-AEFFLSMTSA-N 402.524 1.666 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O 502553873 JBSYACBXOKKLME-MRXNPFEDSA-N 406.433 1.392 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 506538291 CMXBKOKJSSDHBO-IBGZPJMESA-N 413.540 1.665 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC=C)CC1 508507618 INKIBTUQZXEQLQ-UHFFFAOYSA-N 411.466 1.464 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 508863743 JMLMLBOKXKHLIZ-AEFFLSMTSA-N 418.542 1.121 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 513615608 SKKAJAMEUKTIOF-RBUKOAKNSA-N 400.523 1.862 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(CCN(C)C)CC(=O)OC(C)(C)C)cc2C1=O 523094206 VTWVMKREXJVMNV-UHFFFAOYSA-N 415.490 1.814 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)c1 544844443 LKSZRJSLFBMFTG-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(c4ccccc4F)C3=O)CC2)n1 546223777 SAVBHFXSGZIECM-KRWDZBQOSA-N 408.437 1.729 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 568993101 QNGYUCYOSIRCBR-UHFFFAOYSA-N 400.483 1.095 30 10 HDEE C=CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCN(CCOC)C(=O)C1 570204931 VDUAIZQYANGBTN-UHFFFAOYSA-N 400.439 1.724 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)COC(=O)c3cccc(-n4cnnn4)c3)cc21 586268095 MJSPHNBEVGTYIZ-UHFFFAOYSA-N 419.397 1.613 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 619695681 IDUSICKRRKWKOU-VFNWGFHPSA-N 410.478 1.369 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)c1 642049524 AEYUCWBBJNYQPC-UHFFFAOYSA-N 407.536 1.872 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 670200085 MSMMLIUERRRUGJ-ZNMIVQPWSA-N 415.585 1.517 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669331 KYJKPBRUOKMNKR-UHFFFAOYSA-N 424.526 1.712 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2S(=O)(=O)C(F)F)c(F)c1 729885401 ZWQRAHHSJNHELP-UHFFFAOYSA-N 411.361 1.949 30 10 HDEE N#C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CCN1C1CC1 732649015 NUSDRVPWGGNWNX-SJORKVTESA-N 415.881 1.744 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCc1nc(COc2ccc(F)cc2)no1 741339731 AOZGZRSLGJYUGA-HNENSFHCSA-N 416.365 1.747 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2cc(S(N)(=O)=O)ccc2Br)cc1 742104330 XWZDYNZEFVBMIV-UHFFFAOYSA-N 424.276 1.777 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742707436 REWQDTUBTUYRTE-STQMWFEESA-N 417.535 1.601 30 10 HDEE C=CC[C@@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 756688142 YQPGEFWQUVJOML-SUMWQHHRSA-N 410.268 1.269 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 757897591 JKUFLCKCGUDUNP-HNNXBMFYSA-N 423.491 1.536 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]cc(Br)c2=O)c1 761027863 AZBDIGCHUXQRAJ-UHFFFAOYSA-N 410.249 1.301 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(S(=O)(=O)C(C)C)c2)n1 788819191 CXIQGVWCOIFQDR-UHFFFAOYSA-N 403.504 1.987 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(C3CCCCC3)C2)n1 789158640 NACGBFRWTDVHAI-GOSISDBHSA-N 401.511 1.608 30 10 HDEE Cc1nn(CCS(C)(=O)=O)c(C)c1COC(=O)[C@H](C)Oc1ccccc1C#N 797860168 CAYDMWDVLLPKNQ-HNNXBMFYSA-N 405.476 1.927 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NS(=O)(=O)CC(C)(C)C(=O)OC)cc1OC 811144835 YXOFQEKQWJNKPH-NTMALXAHSA-N 411.476 1.918 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC/C=C\CNC(=O)OC(C)(C)C 812471758 DPYJXOXNEDSFTP-YVACAVLKSA-N 415.498 1.649 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(C#N)cc1F)CCO2 814397692 LQFLYXGAZIZACH-UHFFFAOYSA-N 411.455 1.708 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858066171 ZCEUNRPSHQGCFL-OAHLLOKOSA-N 414.487 1.499 30 10 HDEE NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccco2)CC1 1084622783 VVFRDYANXBSBBS-UHFFFAOYSA-N 421.435 1.520 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1136223762 VUOIIDHDDXNJOF-JXMROGBWSA-N 420.418 1.498 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1137895698 IARRXKZCVCXUOG-AWEZNQCLSA-N 400.298 1.403 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)c1 1138194953 GZUYJGOSQKXKIH-CLYVBNDRSA-N 419.528 1.163 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cnn1CCC#N 1141785974 MYUFGJCWXMBNHC-UHFFFAOYSA-N 406.490 1.452 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C(=O)OC 1141995845 ZWLOYZRGHBKMAO-HUUCEWRRSA-N 407.264 1.735 30 10 HDEE CCN1CC[C@H](N(CC)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1146911854 WPGGMZGPYMFKIR-IBGZPJMESA-N 418.563 1.902 30 10 HDEE C#CCOCCN(C)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1160098037 UOXLWPYRXDWDJK-MRXNPFEDSA-N 405.499 1.962 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)CN(C)C(=O)OC(C)(C)C)cc1 1167808591 SONHRVSFGMXHNI-AWEZNQCLSA-N 409.508 1.583 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1171497990 DQCWCQIGUGCMIZ-NVXWUHKLSA-N 406.527 1.895 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(CC(=O)Nc3ccccc3S[C@@H](C)CC#N)C[C@@H]12 1174641217 FXXLRQWTITZYQN-KMCQBPLKSA-N 423.560 1.763 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCC(O)(COCCO)CC3)c2C#N)C1 1176272946 KXTSNJINRPOLRY-HNNXBMFYSA-N 421.563 1.909 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](COC)[C@H]2CCCOC2)s1 1178048907 YOSONPCNXZIAOV-ZFWWWQNUSA-N 402.538 1.313 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)C[C@H]2COc3ccccc3O2)C1 1189040103 GDSSYMAYIKVKDQ-RRFJBIMHSA-N 423.491 1.505 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@H](NC(=O)c3ccccc3)C2)CC1 1191192994 JFSCRSABWDMTDE-SFTDATJTSA-N 411.550 1.573 30 10 HDEE COC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 1197337437 FISSHALRXQFTEN-UHFFFAOYSA-N 402.270 1.830 30 10 HDEE COCCc1ccc(OC[C@H](O)CNS(=O)(=O)c2cccc(F)c2C#N)cc1 1212482481 DUIQWUUGEJSCJD-OAHLLOKOSA-N 408.451 1.604 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCO[C@H](C)C1 1286303367 QOXDWCNBEGKTLE-QZTJIDSGSA-N 402.543 1.359 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1286395053 YSGKVUWVKVJZOZ-NLWGTHIKSA-N 418.563 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@@H]1OC 1286415667 IYBOMONOERHYHU-CTNGQTDRSA-N 419.485 1.853 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1286437710 KQSPNPYWBXXDTO-KRWDZBQOSA-N 418.519 1.614 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286442480 AXVMTIOYNZUHIV-UHFFFAOYSA-N 419.489 1.710 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286549466 VRJJYIKAIQKJHY-VXGBXAGGSA-N 405.318 1.662 30 10 HDEE C=CC1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286662184 ZVFGOCISRHCKCF-QGZVFWFLSA-N 418.567 1.968 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1286687818 RNNSAIDYEZMSKF-FGTMMUONSA-N 402.543 1.742 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1286706556 PZPULQJOZUUHNG-MAUKXSAKSA-N 410.544 1.611 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccn2)CC1 1286712166 ZZQVDUDFLSFDSY-UHFFFAOYSA-N 407.482 1.444 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnnn1C 1286756689 SOOIBVWWKXXQEY-UHFFFAOYSA-N 403.450 1.949 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncc(Cl)n1C 1286786276 QFSXOUUWBIIGIJ-CYBMUJFWSA-N 407.906 1.845 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(O)CCCCCC1)[C@@H]1CCS(=O)(=O)C1 1300504376 MRRUDVBXIDOGLT-QGZVFWFLSA-N 424.567 1.527 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C 1300663796 IVINPKJVGWPZJD-LJQANCHMSA-N 422.533 1.746 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(c2nccc(OC)n2)CC1 1300761198 AEHLHBQJXZGNQL-UHFFFAOYSA-N 415.567 1.968 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1301175146 ZOUNPCFPEUDMSL-HOTGVXAUSA-N 421.571 1.972 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301611947 IVZPYQYMDOBUSP-SJORKVTESA-N 421.567 1.529 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCOCC1CCOCC1 1301952137 HIYQRLYYXTUVHV-KRWDZBQOSA-N 418.542 1.943 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(OC)c(OC)cc2Br)cn1 1309664751 QPHVCZRPMWBZJW-UHFFFAOYSA-N 414.281 1.775 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1 1311420361 KYMNTMYCEQQJMG-UHFFFAOYSA-N 404.414 1.000 30 10 HDEE Cc1ccc(CNC(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1C#N 1313268265 MSCUSGCHJGEMCO-UHFFFAOYSA-N 415.519 1.792 30 10 HDEE CCOCCN(CC)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314472392 NLVACFQBNYKXOF-MSUUIHNZSA-N 404.515 1.965 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)C[C@H]1O 1315108305 ILJXAWXXAJJEIT-RHSMWYFYSA-N 408.418 1.213 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1315272791 RYUQKAIPEWLHFV-QFBILLFUSA-N 414.422 1.388 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1318453575 DWSLPLDFGQSXRM-ZPHPHTNESA-N 415.450 1.018 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccccc2CC)CC1 1351106706 LOVDKVACZHVJCI-HXUWFJFHSA-N 400.523 1.803 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1358870362 LQJVDDXZVITRSG-CABCVRRESA-N 416.507 1.208 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1358887181 QWSKNNXDNHADND-CQSZACIVSA-N 412.494 1.770 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)CC=C 1358983491 KERPXBALJOUWCG-QZTJIDSGSA-N 418.563 1.870 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1358994195 HGDJLEHPZWRJNI-NFBKMPQASA-N 421.501 1.320 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359221212 USOFQNYUDJNYNN-OXQOHEQNSA-N 404.515 1.452 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C)C1CC1 1359248049 YJWIKUOKPURXJM-UHFFFAOYSA-N 413.507 1.680 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1359282662 LLDITJVYJFKZCN-SFHVURJKSA-N 418.542 1.298 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCOC2)C1 1359332286 UKZWEOQIGIHRAM-APWZRJJASA-N 410.540 1.390 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1359571995 AMJRZMVKAPPORL-OAHLLOKOSA-N 417.514 1.884 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1360784514 GKKPPSCUCXSTPI-HTAPYJJXSA-N 424.505 1.824 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCC(=O)N2CCOCC2)C1 1360788326 QDXBTPLMGFMMPE-UZLBHIALSA-N 402.499 1.509 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cccc2c1OCCN(C(=O)OC(C)(C)C)C2 1444542556 KACAOXWPEFMPIH-UHFFFAOYSA-N 403.435 1.955 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CN1CC[C@H](c2ccccc2)NC1=O 1446138574 KZIVKUBPRIYADF-FUHWJXTLSA-N 419.489 1.542 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CCCN(CC(F)(F)F)C3=O)CC2)c1C#N 1447780203 ILQJSMWSUKTSOU-ZDUSSCGKSA-N 412.416 1.050 30 10 HDEE Cc1noc([C@@H]2CCCN2C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1449219747 LGQLYHACNRLIRE-HOTGVXAUSA-N 408.418 1.818 30 10 HDEE C=CCC[C@H](CO)NC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 1449420947 DPMKPVVJRQLKDK-RDTXWAMCSA-N 424.295 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCN(O)C1=O 1450156728 LWSUQSZGOCCDOR-JKSUJKDBSA-N 400.435 1.499 30 10 HDEE C[C@H](CC(=O)N1[C@H](C)CC[C@H](C(N)=O)[C@H]1C)/N=C1/NS(=O)(=O)c2ccccc21 1452466553 WQABFOWFUCLOJV-SYQHCUMBSA-N 406.508 1.005 30 10 HDEE C=CCC1(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CCOCC1 1453000475 ZQJGTFDPIBIOIX-UHFFFAOYSA-N 410.540 1.669 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1456194287 SDBOUFRWDWUBSR-LJQANCHMSA-N 402.495 1.391 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)Cn2cc(C#N)c3ccsc3c2=O)cc1 1459215791 BLWOMYKBECKXLP-UHFFFAOYSA-N 401.469 1.655 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCS2(=O)=O)cc1Br 1463707685 IBKXVRLYKKFFJM-VIFPVBQESA-N 411.274 1.315 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](NC(=O)NCC3(C#N)CCOCC3)C2=O)c1 1469235265 DDBWRNYBHCEXBP-QGZVFWFLSA-N 402.451 1.429 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3ccccc3NC2=O)s1 1469665765 RKURFWSMPCFNLU-MRXNPFEDSA-N 419.528 1.825 30 10 HDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c(Cl)c1 1471628917 GIUXIJQWRLFDMT-KRWDZBQOSA-N 420.941 1.835 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2=O)cc1Cl 1472259708 SYDPPRLLOXHJQF-MNEFBYGVSA-N 416.909 1.622 30 10 HDEE CCOCN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1c(C)cccc1CC 1473849695 AUIBYUJIYMVORO-GHTZIAJQSA-N 419.547 1.755 30 10 HDEE C=CCN(C(=O)Nc1ccc(CS(=O)(=O)CC)cc1)[C@@H]1CCS(=O)(=O)C1 1476749824 NLEWUSWQBLRUCV-MRXNPFEDSA-N 400.522 1.828 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1489883757 LLRFFVSMAFWUTC-FXVDGXSLSA-N 418.538 1.075 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1507516339 KNCXIRJUMPMNQM-TWOQFEAHSA-N 419.551 1.644 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1507554356 QPIOJJAGUMCYRP-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1507572316 GILUQEBYHGNJNC-GOSISDBHSA-N 401.559 1.046 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1507629924 QUOGGVYBZIJERS-INIZCTEOSA-N 417.535 1.782 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1cccs1 1507701840 BTYRVPURYFWBLF-HXUWFJFHSA-N 417.535 1.569 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1507708047 BWVDXQHYQLUASN-UHFFFAOYSA-N 418.519 1.617 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@](C)(O)C(C)C)CC1 1507738823 ZTVOBSZFNWJIIS-NRFANRHFSA-N 411.510 1.108 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)C2CC2)CC1 1507739047 LKGIMVHWHDFSEG-HTAPYJJXSA-N 415.538 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)[C@@H](C)CC)CC1 1507740071 WUIQTKJJQPGVIN-QXAKKESOSA-N 417.554 1.809 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507874799 WRGWTYWORSXXOH-SUNYJGFJSA-N 411.890 1.786 30 10 HDEE C=C1CCN(c2nnc(COCC)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1507892092 KKBYOIGOKOCHJW-SFHVURJKSA-N 404.559 1.914 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(CC)C2CC2)CC1 1507895925 FDJFAYISEPEFDV-OAHLLOKOSA-N 410.588 1.775 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1508041733 SGBFUJCOHZYFEP-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2nccs2)C1 1508080042 IFDDMKIUKIIJIS-AWEZNQCLSA-N 412.479 1.072 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508125353 QTMLJTMVVIZIDU-SJLPKXTDSA-N 403.527 1.822 30 10 HDEE CC(C)Cc1nnc(N(C)[C@@H]2CCSC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509134740 KFTOUJSCCTWJGE-IAFNSTAXSA-N 404.540 1.945 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2csc(CC)n2)CCOC1 1516234498 YHNGUJMHXFCEEE-HNAYVOBHSA-N 418.523 1.726 30 10 HDEE Cn1cnnc1Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1517401750 MFMVTBXQUDHYRP-UHFFFAOYSA-N 407.482 1.578 30 10 HDEE Cn1cc(CNC(=O)CCCN2C(=O)NC(C)(C)C2=O)c(-c2ccc(C#N)cc2)n1 1522150848 OUUGXHGMUWQMGM-UHFFFAOYSA-N 408.462 1.686 30 10 HDEE Cn1nccc1[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1525883901 KKISAFJSTBDXOO-MAUKXSAKSA-N 417.491 1.262 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N(CC)CC)c1)C1CCN(C)CC1 1536123536 PLEIBWWUQXRDNC-UHFFFAOYSA-N 421.563 1.895 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C)c2ccc(Br)cc2)C1=O 1538854323 FVVLRVZVONYKQG-NSHDSACASA-N 408.252 1.646 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCn1cnc2ccccc21 1539231348 REWJVPWBFPXRRQ-UHFFFAOYSA-N 403.490 1.929 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccccc1 1539284047 FQAMKBOWVRUBBI-HSZRJFAPSA-N 405.502 1.885 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1ccnc1C 1539333869 NDWHKFAEISROOI-UHFFFAOYSA-N 421.530 1.938 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(OC)CCOC1 1539417345 DRXMDIMJPQPEGD-OAQYLSRUSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2noc(CC)n2)CC1 1539436463 SYMUPIVAEAULRM-UHFFFAOYSA-N 421.505 1.897 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539693743 YEABJIVRELRFEY-HNNXBMFYSA-N 423.481 1.774 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1=O 1539964756 RPVOSRZKHVSQPN-HZPDHXFCSA-N 408.296 1.872 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1540869006 ZBAKVTQHUKAOGN-IRXDYDNUSA-N 411.510 1.821 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnc(C)s2)C1 1540894982 INMKOPRKVBYLFX-HNNXBMFYSA-N 402.524 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1540901668 LSUVANDKIBMFRT-UHFFFAOYSA-N 424.571 1.340 30 10 HDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1541256336 UCRYQCHPJLXAGV-HOTGVXAUSA-N 410.544 1.563 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1541994207 OYZIDLXHGXUIKM-JKSUJKDBSA-N 422.555 1.541 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n1 1543664344 NZVFQCIKKSOUTF-ISTRZQFTSA-N 415.837 1.902 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1552812936 OPWODWRGXUHDRH-IRXDYDNUSA-N 404.515 1.012 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1=O 1554363256 GBQIKPHKRCPUAR-KRWDZBQOSA-N 410.478 1.434 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1556132790 UFTPWPPMUURNLH-JKSUJKDBSA-N 421.519 1.898 30 10 HDEE C=C(C)C[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OCC 1558131339 OEXOHVBITKAKAX-OAHLLOKOSA-N 407.492 1.595 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2nc(-c3cccc(OC)c3)cs2)CC1 1560983069 PBSQLHWODVWRRZ-UHFFFAOYSA-N 406.533 1.404 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)C2)nc1 1565120724 VGRYXOOHBIFMFA-QZTJIDSGSA-N 411.510 1.829 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1565248161 ZMZKPPYKERDSOJ-KRWDZBQOSA-N 414.487 1.393 30 10 HDEE C=C(CC(C)C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1565728329 MHKCCIUTUYDYAR-UHFFFAOYSA-N 407.492 1.453 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1569930196 JAPNVAVOQIQNHZ-UHFFFAOYSA-N 408.462 1.811 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCO[C@H]1C 1587904270 CMXANKZEMMACNX-XOBRGWDASA-N 417.897 1.471 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588055547 XMARWBSSJPAIOO-QZTJIDSGSA-N 422.551 1.368 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1nncn1C 1589059521 GTMGOWCXULBLFS-UONOGXRCSA-N 400.512 1.066 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1589381997 ISXIAAGSPOLYQE-INIZCTEOSA-N 420.271 1.675 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1595522828 KTJZEBWSUNALJN-QRWLVFNGSA-N 400.483 1.350 30 10 HDEE C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 1597163039 HDOKZKMAYYQTED-DOMZBBRYSA-N 407.434 1.178 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cncs1 1598432185 OXCJKCZGFNOJTC-UHFFFAOYSA-N 420.516 1.741 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N(C)C[C@@H](C)C#N)n2CCCn2cnnn2)cc1C 1612100268 WINWQNPEYPBTOX-AWEZNQCLSA-N 422.497 1.820 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCC[C@@H](C)C1 1612800605 GSPGJDRWVVLLGD-QZTJIDSGSA-N 417.558 1.657 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@](C)(O)C(C)C 1616823315 AXTBUXRMVNOZDN-HXUWFJFHSA-N 400.483 1.757 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1617397969 CTBBXDIYCYEIBC-GOSISDBHSA-N 424.477 1.389 30 10 HDEE CO[C@@H]1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1619490397 ALUWJQPTDSMJOJ-ZHALLVOQSA-N 424.505 1.855 30 10 HDEE COCCCCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1619814958 UVUUPPXDSGXQQV-XLIONFOSSA-N 407.515 1.864 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1620167278 CATIJEDSMVCFTO-DNVCBOLYSA-N 418.498 1.669 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1624464902 ITZITDRSUFAFIV-HNNXBMFYSA-N 415.556 1.587 30 10 HDEE N#C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@@H]2CCO)CCO1 1628104738 BVERWJWKFRXNNA-KGLIPLIRSA-N 413.521 1.038 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628154444 LJNLDKYMIAVALZ-BBRMVZONSA-N 409.508 1.804 30 10 HDEE CCCCS(=O)(=O)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1628456175 ANHDTFPZILKRAT-UHFFFAOYSA-N 406.464 1.670 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc(-c3cccnc3)nn2CCO)c1 1630523133 KSHMVAOAHQRKRF-UHFFFAOYSA-N 424.482 1.987 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1630546299 GMRQHTOZUVNOJL-CRAIPNDOSA-N 417.506 1.929 30 10 HDEE C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N1CCC(Nc2ccccc2C#N)CC1 1630737673 WBFOMYSBEVCDFU-CQSZACIVSA-N 416.507 1.062 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)c1C#N 1638198897 GCKADNOKASMRGC-UHFFFAOYSA-N 411.491 1.502 30 10 HDEE N#Cc1ncc(N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)nc1C#N 1639403953 RYOVZXSUAIDCRT-UHFFFAOYSA-N 408.896 1.836 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)C1=O 1639890550 QQSYELYCXYSDST-BRUMVKDWSA-N 407.467 1.409 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)n1 1639991710 CJXOJZLGQWLPBF-NRFANRHFSA-N 420.485 1.840 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)CCCN1C(=O)OC(C)(C)C 1641797822 QFHNZHGBBYXHKK-PGRDOPGGSA-N 405.539 1.837 30 10 HDEE COC(=O)c1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)ccc1N1CCCCC1 1643098048 YRGMQTVYFWLJKM-UHFFFAOYSA-N 411.418 1.236 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 1643888089 HXNGPFIMTBULEC-CTNGQTDRSA-N 416.485 1.716 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 1644080957 HAPVPVKYNUSSIF-QGZVFWFLSA-N 415.471 1.958 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@@](C#N)(c2ccccn2)C1 1644101583 FUZSTONCDKIBBO-YWZLYKJASA-N 413.503 1.613 30 10 HDEE CCN(C(=O)CN(C)[C@H]1CCC[C@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1644117271 VORGTUGKVHMMFH-IRXDYDNUSA-N 424.505 1.556 30 10 HDEE Cn1c(=O)c2ccccc2n2c(Cn3c(C(F)(F)F)ccc(C#N)c3=O)nnc12 1644184872 CWAMBBIQPQLHJQ-UHFFFAOYSA-N 400.320 1.682 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)OCC 1644563527 JFSYFYWUIWMKPA-JKSUJKDBSA-N 402.447 1.825 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)c2)C1 1645270651 LZRXALPJCSFQJZ-SCTDSRPQSA-N 419.547 1.312 30 10 HDEE Cc1ccc(C(=O)NCCc2c(F)cc(O)cc2F)cc1S(=O)(=O)NCC#N 1645286276 BFVRRLOXVHWSJE-UHFFFAOYSA-N 409.414 1.753 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1 1650846221 NYIGBPGFJFLKSI-UHFFFAOYSA-N 403.548 1.500 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccccc2C(F)(F)F)CC1 1650849158 WENJESLTUHEYHM-UHFFFAOYSA-N 403.426 1.250 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1 1653212537 KUQVBONNHIGSOL-UHFFFAOYSA-N 420.535 1.425 30 10 HDEE C#CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)c1 1654316107 LAAMPYGZLUHMBE-UHFFFAOYSA-N 407.430 1.641 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1654449256 IQFBLGMOGFGNCF-CABCVRRESA-N 419.403 1.629 30 10 HDEE CCOC1CC(O)(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1655140091 GJCVFCMSFGCRIN-UHFFFAOYSA-N 407.261 1.668 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1663414648 SREFXTABARYJHM-NSHDSACASA-N 424.338 1.559 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)cc1 1665969553 PDWCUKONWIUXLD-HZPDHXFCSA-N 410.540 1.412 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1)C1CCOCC1 1670502782 XFIKRZRFFDXFND-QUCCMNQESA-N 420.531 1.993 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2OC)C1 1673067918 CXSVNYLJRFXGRT-MRXNPFEDSA-N 422.551 1.945 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1678394548 RKPORIDPYFWLEX-LLVKDONJSA-N 406.288 1.109 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3nc(-c4ccncc4)n[nH]3)C2)nc1 1683245585 NTICJDXNDCDWRU-MRXNPFEDSA-N 403.450 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1689824326 MVCRIZMOBWKFBL-INIZCTEOSA-N 417.535 1.738 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCN(C)CCOC 1689948872 JAPGCSCEEVYEJE-UHFFFAOYSA-N 409.332 1.694 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCn1cc(C)cn1 1689959827 OFDIFZIGWAWORR-UHFFFAOYSA-N 412.523 1.513 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCCn2cc(C)nc21 1690100948 IYCMBSXSAWFEPI-QGZVFWFLSA-N 406.494 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(C)(C)C2CC2)CC1 1690124714 RYBUTKXZEIERRC-QGZVFWFLSA-N 419.595 1.762 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(SC)CCN(C)CC2)CC1 1690134905 KATSRDOLAAHGPA-GOSISDBHSA-N 418.611 1.712 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2ccco2)C1 1690156595 ZCOSFNAPKAEYEX-GJZGRUSLSA-N 423.564 1.842 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690337571 RZSSZUXIYVCJBK-WBMJQRKESA-N 400.874 1.880 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690358609 FVNPPAHXNAGPGE-KSSFIOAISA-N 413.906 1.022 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)NC(C)C)CC1 1690413588 ZBHMMAUCJNOHKB-UHFFFAOYSA-N 418.567 1.994 30 10 HDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1690503894 RGXOZYYLWVOUMD-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1Cc2ccccc2O1 1698060843 IFSKYJBAGUJMAD-IAGOWNOFSA-N 410.478 1.599 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C[C@@H]1C 1698087541 FYCFGPQCKLRDOT-LPHOPBHVSA-N 416.501 1.958 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN1CCCC1 1698171225 XLURGBLMGGFUEW-MJGOQNOKSA-N 417.558 1.274 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCNC(=O)c2cc[nH]n2)c1 1698485901 DTDCTKXFURQTFV-UHFFFAOYSA-N 415.461 1.710 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCCCC2)C1 1698485989 FYGNFRNBOKMUJD-FQEVSTJZSA-N 403.506 1.718 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccsc1 1705494655 CYMNFJKVNBUNJZ-GOEBONIOSA-N 423.564 1.373 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705538290 IOOXMGGGTNITBX-QGZVFWFLSA-N 404.540 1.567 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)c2ccsc2)CC1 1705640973 LUNHTQLMVAJJPQ-QFIPXVFZSA-N 422.558 1.988 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)=O)CC1 1705814641 VQCGPYJEMZSVMB-UHFFFAOYSA-N 417.535 1.983 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705830747 WUGZEZKYPQDJMM-WOJBJXKFSA-N 419.570 1.923 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)CCC)CC1 1705903321 SHQBVWNSISINQD-MRXNPFEDSA-N 418.542 1.359 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)cc1 1722342423 YKIKWPRNWVKSSK-UHFFFAOYSA-N 408.506 1.468 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1722384353 VEHCMBYEESLQLH-HNNXBMFYSA-N 403.533 1.261 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)F 1722385045 YOBAIGHWLGFLSB-MRXNPFEDSA-N 415.400 1.245 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722616636 ALJULZXAMBJYBD-QGZVFWFLSA-N 410.526 1.988 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1722692691 UYHFGSKWZNCVCB-ZCNNSNEGSA-N 418.586 1.793 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722703242 XUZGUIJZOZXGMJ-ZMMAXQRCSA-N 420.558 1.223 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCN1CC=CCC1 1723940006 ALCBMULMQWRSIE-QFBILLFUSA-N 421.571 1.280 30 10 HDEE COCC[C@@](C)(O)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1730639676 VMGOLFOQTXHESC-NHCUHLMSSA-N 421.542 1.846 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1740619965 BBHQHWBHKZIPHP-OAHLLOKOSA-N 406.483 1.747 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740629689 WLTTVXDKGBYNLX-HZPDHXFCSA-N 410.540 1.571 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCN2CCN(C)C(C)(C)C2)CC1 1740691058 TVDCSQZZYNNTIP-LJQANCHMSA-N 401.603 1.573 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2cc(C)no2)CC1 1740692647 NNTAPZSZPAEDBH-NRFANRHFSA-N 414.510 1.419 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)[C@@H](C)CCC)CC1 1740693929 RBPAJMHZDHYSQA-SFHVURJKSA-N 409.538 1.648 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCSCCCO)CC1 1740697644 BANHXORRWQWQBL-UHFFFAOYSA-N 400.552 1.135 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740848016 ACIRUWNNIVQULF-CVEARBPZSA-N 416.526 1.857 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCNC(=O)C1 1740953168 XRNAEDIRNSUOQH-CYBMUJFWSA-N 418.885 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)CC[C@H]1C 1740956012 FBPLHMSWLYNIRX-HZPDHXFCSA-N 421.509 1.848 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)(F)F)C1 1740980211 FVYANGSUWQEFIL-OAHLLOKOSA-N 424.427 1.724 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CCO1 1741106460 ABQYLZGWNQJORH-ROUUACIJSA-N 414.466 1.374 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1741801654 CCHUSVNOIQPGOT-SJLPKXTDSA-N 423.521 1.852 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741802144 KFJLRYKADXXVGY-GDBMZVCRSA-N 422.580 1.950 30 10 HDEE Cn1cccc1-c1nnc(N(CCS(C)(=O)=O)C2CC2)n1Cc1ccc(C#N)o1 1748029821 HVBZNVRYJXCJCL-UHFFFAOYSA-N 414.491 1.810 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1748131335 HKHOBWJMHRUPPG-OAQYLSRUSA-N 419.493 1.448 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748667490 VEANMHPVCYZPFE-JYJNAYRXSA-N 423.525 1.188 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Br)cn1 1748771416 LIMAUFGITQSNOH-KRWDZBQOSA-N 423.315 1.659 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1748855482 BCSKTEXZSHVWTP-HXUWFJFHSA-N 413.503 1.148 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCOC1 1748898624 MQMBTEDWAJXGJR-QHCPKHFHSA-N 403.486 1.965 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1748905483 FNVOICXGZVKFHU-CABCVRRESA-N 405.528 1.122 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1748906126 PBLAZFCKILOJLH-AEFFLSMTSA-N 424.615 1.858 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC 1749157953 BDGQCWMNFGDYFK-OAHLLOKOSA-N 401.533 1.050 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1749170782 TXWOQTYYABBBQI-AWEZNQCLSA-N 419.555 1.488 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1749409613 WSQCTGDYRSHJOT-UTKZUKDTSA-N 418.542 1.889 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1749520847 AWAVFELELMCHMM-MRCUWXFGSA-N 419.489 1.945 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749620846 YTBZKRGLTGTRRK-UHFFFAOYSA-N 407.478 1.577 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCc2ccccc21 1749676841 FWMYWMLFTZUSAT-GOSISDBHSA-N 408.506 1.826 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1750067455 WLYMYEMLVAAWRB-AWEZNQCLSA-N 403.450 1.624 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1750379569 GDQHGFNAJHQABP-NHYWBVRUSA-N 404.368 1.293 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1751170824 FCPHPXDNCIGSDV-VBKZILBWSA-N 417.535 1.847 30 10 HDEE C[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)COCCO1 1751306429 WWHOYCCHQRTYHC-QFBILLFUSA-N 423.539 1.116 30 10 HDEE C[C@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1752418652 BFSYTAZNBQYJRP-RDJZCZTQSA-N 401.515 1.080 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1760153789 CVKBFIOUMUCLLU-UHFFFAOYSA-N 401.536 1.906 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCOC)[C@H]1CCS(=O)(=O)C1 1760188284 OHJKFXNOFNHMAS-ROUUACIJSA-N 424.567 1.616 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCN(C(C)=O)CC1 1760228432 GJIIGCSTFILBJD-UHFFFAOYSA-N 405.506 1.440 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1760233889 QLDCJCFSJCIRQD-QGZVFWFLSA-N 416.547 1.915 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC(C)(C)c1ccccn1 1760250347 GJWILSILDUWAJM-UHFFFAOYSA-N 410.522 1.859 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2cccnc2)CC1 1760257341 UMAXHZDMDPKNAM-QHCPKHFHSA-N 424.549 1.712 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(CCC(N)=O)CC1 1760525269 ZSCRSRJWDDPEBX-UHFFFAOYSA-N 424.549 1.961 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N(C)C)C1 1760539360 MUTOOQWXVMOVQZ-MRXNPFEDSA-N 415.494 1.832 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnc3n2CCC3)CCOC1 1760689028 RNFKCEUNLOWUGS-YWZLYKJASA-N 414.514 1.501 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2CCCS(=O)(=O)C2)n1 1762413979 GSEBDUJBMVLRCT-YOEHRIQHSA-N 419.555 1.560 30 10 HDEE CC[C@@H]1CCCN1c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1763362094 QFHWLAVPDKPBSJ-OHTQGHCMSA-N 415.498 1.322 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1764083821 KBSNOYMYNBKTHQ-GOSISDBHSA-N 423.521 1.983 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1764539039 FMYHWEHYOFRUJG-IBGZPJMESA-N 423.521 1.838 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1767424040 FBTSVIYKQQJSGA-RYGJVYDSSA-N 405.499 1.210 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1nccs1 1768462711 DXYHUGIMFPYWLO-UHFFFAOYSA-N 411.491 1.910 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCOC[C@@H]1OC 1771281687 QFBASLFOXMCGAH-ZBRFXRBCSA-N 407.515 1.649 30 10 HDEE O=C(CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O)ON1C(=O)c2ccccc2C1=O 1772791679 WZQCALDUOPIUGN-QFIPXVFZSA-N 419.393 1.524 30 10 HDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@H]1CCN(C)C1=O 1848976512 OYQDEORDOLLAJK-YJBOKZPZSA-N 421.563 1.896 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)NCC3CCN(c4ncccc4C#N)CC3)C2)no1 1850094846 CFIYQMYRMZFJJB-UHFFFAOYSA-N 408.462 1.355 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1851347755 MRHSUNRGVCNLSQ-CQSZACIVSA-N 400.501 1.312 30 10 HDEE CO[C@H](C)[C@@H](OC)C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851809136 SWNLMMYQOQPXOU-DGCLKSJQSA-N 402.904 1.383 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])C1 1851996806 KEQKPRDQNUBJPM-HNAYVOBHSA-N 403.414 1.464 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)c1C#N 1852381166 KZXMIVTUHQNDLC-OAHLLOKOSA-N 409.368 1.922 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)c2ccccc21 1852775279 UDIZQQPARVHFBM-MRXNPFEDSA-N 420.535 1.614 30 10 HDEE CC(=O)N1CS(=O)(=O)C[C@@H]1C(=O)N(C1=CC(=O)CC(C)(C)C1)c1ccccc1 1853277864 PRFPGUKPUVHFSP-GOSISDBHSA-N 404.488 1.896 30 10 HDEE CS(=O)(=O)N1CCN(CCNC(=O)c2cccc(-c3ccc(C#N)cc3)c2)CC1 1853343386 IWXREOPVUUXEMR-UHFFFAOYSA-N 412.515 1.532 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN(C)[C@H]3CCS(=O)(=O)C3)CCC2=O)cc1C#N 1853996700 APCCGAHUVWENAG-YJBOKZPZSA-N 403.504 1.364 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cn(-c4ccncc4)nn3)C(=O)C2)c(F)c1 1854259563 FFCYBSHUHHIWSU-UHFFFAOYSA-N 405.393 1.158 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCCO4)C3=O)CC2)c1 1854419989 VVJPLKIHASPVGI-MOPGFXCFSA-N 412.490 1.741 30 10 HDEE C[C@@H]1CCN(C)c2c(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)cccc21 1855998773 DGAUWFGJWNVCQO-CQSZACIVSA-N 418.519 1.546 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cccc(Cl)c3)C(=O)O2)CC1 1856602683 JBDQUSPPHODHGP-OAHLLOKOSA-N 411.867 1.866 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)C4CC(=O)C4)C3)CC2)n1 1857124033 VWOOBQVNHGZPHB-MRXNPFEDSA-N 410.474 1.398 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CC[C@](F)(C(=O)N(C)C)C3)CC2=O)cc1C#N 1857354922 COGBMCYHQNXQME-YCRPNKLZSA-N 400.454 1.358 30 10 HDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2ccc(OC)c(Cl)c2)[nH]1 1871677524 QKMNOXGILYYLQQ-UHFFFAOYSA-N 403.918 1.861 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)N[C@@H](C(=O)O)C(C)(C)S 1882717363 RSMLCOYNNQTLOH-SCZZXKLOSA-N 404.514 1.252 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889577805 PLGMNOCNFSJZCI-UHFFFAOYSA-N 419.591 1.670 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1C(=O)NCC#CCOc1cccc(C(F)(F)F)c1 1889707536 YBPAVNJYDPCWHH-OAHLLOKOSA-N 404.410 1.628 30 10 HDEE CC(C)c1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC(Oc2cccnc2C#N)C1 1891136705 QQPPVRSOQRZEOH-CYBMUJFWSA-N 411.487 1.960 30 10 HDEE CC1(C)OB(CCCN2C[C@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)OC1(C)C 1977841169 UROQUTSOYNNDNP-VXGBXAGGSA-N 407.242 1.323 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1988014159 YNGSQGPNLVPGEJ-GOSISDBHSA-N 416.522 1.267 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1991831114 DBQXYTQRACSANC-VLIAUNLRSA-N 424.498 1.330 30 10 HDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046019316 NJVFQBYOSDNPSC-INIZCTEOSA-N 420.384 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NCCn1ncc(Br)n1 2060557530 MXFQAAPZFJQGTB-LLVKDONJSA-N 415.292 1.744 30 10 HDEE N#Cc1cncc(S(=O)(=O)N[C@@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c1 2118165730 FDVYGYIRFURMMK-QZTJIDSGSA-N 416.459 1.315 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 2174779336 HYSXZHHKSZMKEI-OAHLLOKOSA-N 401.529 1.873 30 10 HDEE C[C@H](NS(=O)(=O)N1CC[C@@H](O)C1)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177635061 LUBMQEZZXGKGPS-WCQYABFASA-N 402.347 1.009 30 10 HDEE C#CCN(C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC1(F)F)[C@H]1CCS(=O)(=O)C1 2180092793 NZEWZRTYVXHSGC-QWHCGFSZSA-N 406.451 1.138 30 10 HDEE C[C@H](C1CC1)N(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2181052179 CZNSRJYCHUEQQQ-HIFRSBDPSA-N 401.529 1.855 30 10 HDEE CC1(C)OB(C2=CCCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2189213160 VKKPVLMCLKERBU-CQSZACIVSA-N 401.359 1.697 30 10 HDEE COC1CN(S(=O)(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)C1 2241159956 SMBRCJFQXFICNB-UHFFFAOYSA-N 403.697 1.022 30 10 HDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247829334 KVXCDHLKZUHXEW-UHFFFAOYSA-N 412.299 1.440 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@]34C[C@@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2255843981 OQUDCEXRLUYJMT-HXOBKFHXSA-N 420.322 1.780 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(CCN)C3)cc2Cl)OC1(C)C 2267703090 QFZODIZOYDAQGB-UHFFFAOYSA-N 406.766 1.670 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2281999858 HIXRLAWMNSKDMI-MNOVXSKESA-N 400.331 1.138 30 10 HDEE CN(C)[C@H]1CCC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329860 SCYNSTQNFHLUKB-KGLIPLIRSA-N 400.375 1.808 30 10 HDEE CN([C@H]1COCC1(F)F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282351571 CHQLIVUXNFUAKE-JTQLQIEISA-N 409.285 1.702 30 10 HDEE CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420333 XOUDDFALOFLUBU-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@H](O)[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282494702 BDCQDYZYEHIBRG-MFKMUULPSA-N 401.359 1.808 30 10 HDEE Cc1cc(C(=O)NCCS(=O)(=O)C(C)C)c(B2OC(C)(C)C(C)(C)O2)s1 2282600261 WKTAPZWROAGEAR-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCCN=S(C)(C)=O)c(Cl)c2)OC1(C)C 2282604946 AFJFCNVJECLMMI-UHFFFAOYSA-N 401.725 1.492 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSC[C@H]3C(=O)O)c2)OC1(C)C 2284407512 LXHPNTWVYGVXLO-NSHDSACASA-N 419.355 1.238 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(C(=O)O)CCC3)s2)OC1(C)C 2284407882 QBDYDGLUKLCCTK-UHFFFAOYSA-N 401.315 1.581 30 10 HDEE CN(C)C[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284425799 CCWIXBVPIIFTIH-JTQLQIEISA-N 402.709 1.445 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCO[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284446103 SBKBNFSNHLDJRK-KOLCDFICSA-N 401.677 1.673 30 10 HDEE C=C[C@]1(O)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316808566 FQJOLCYYZVLMTA-FQEVSTJZSA-N 406.504 1.796 30 10 HDEE C#CCOCCONS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316809150 JWQRFAPKBDHEJM-UHFFFAOYSA-N 408.476 1.344 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2316868066 UGXQBDIRCLDAEI-OAHLLOKOSA-N 405.476 1.397 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCC#CBr)(C(=O)O)C[C@]12CCCOC2 2324773148 LWTVXCOREGPHOR-IRXDYDNUSA-N 417.300 1.945 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@H]1N(C)C(=O)OC(C)(C)C 2365195317 APOKGCNOGRJXGC-ARFHVFGLSA-N 402.557 1.673 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12COC[C@@H]1CN(C(=O)OC(C)(C)C)C2 2365210901 ZTEPLZKFBSKONZ-KHYOSLBOSA-N 400.541 1.285 30 10 HDEE CC(C)(C)OC(=O)NCC1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367790894 IBUKFEHOBRDXRD-HNNXBMFYSA-N 401.525 1.640 30 10 HDEE CO[C@H](C#C[C@H](N)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369569441 YEJVGKOUMHFWGD-BBWFWOEESA-N 400.541 1.556 30 10 HDEE CO[C@H](C#C[C@@H](N)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369569444 YEJVGKOUMHFWGD-ZACQAIPSSA-N 400.541 1.556 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](CC)(C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2375780649 KTBHFNKGWUMAMG-PMUMKWKESA-N 404.529 1.808 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(CC)c2nc3ccccc3s2)CC1 27559991 UYLWSMDTJRVNNJ-UHFFFAOYSA-N 401.536 1.569 30 10 HDEE NC(=O)C[C@@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1cccs1)C2=O)C(=O)O 33589892 MIOXQAJKXLSRJO-BKNIFWKGSA-N 416.411 1.188 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCN(c4ccc(F)c(F)c4)C3=O)CC2)nc1 54140146 BSNCBEONTMGCDZ-INIZCTEOSA-N 411.412 1.933 30 10 HDEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1c1c(C#N)c(=O)n(C)c(=O)n1C 301787697 MNHKGVTYFOVABH-KXBFYZLASA-N 410.522 1.396 30 10 HDEE COC(=O)[C@H](c1ccsc1)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 410317496 SLTMMQPLTAFMCE-KRWDZBQOSA-N 405.501 1.840 30 10 HDEE COC(=O)CNC(=O)Cc1ccc(NC(=O)NCCOc2ccc(C#N)cc2)cc1 466109783 WBPAJFYWZNRUEM-UHFFFAOYSA-N 410.430 1.590 30 10 HDEE Cn1ccnc(N2CCN(CC(=O)N(CCC#N)c3cccc(Cl)c3)CC2)c1=O 466732352 BFOOWOFFEZADME-UHFFFAOYSA-N 414.897 1.503 30 10 HDEE COc1nc(N2CCN(C(=O)c3cc(C#N)cn3C)CC2)ncc1Br 471607143 XMBGFWRNJHOYSV-UHFFFAOYSA-N 405.256 1.420 30 10 HDEE CCOC(=O)c1cnccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 479857154 BHPTWTDMSWOPHK-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(=O)OC 481755327 YPKVOZIRNQBHTH-SMDDNHRTSA-N 401.385 1.769 30 10 HDEE CC[C@@H](C)c1ncc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 484382039 GZQRTQITJIKZTD-CYBMUJFWSA-N 410.482 1.191 30 10 HDEE C=CCNC(=O)CN1CCN(c2nc3ccccc3nc2N2C[C@@H](C)O[C@H](C)C2)CC1 485916371 BYURSDUJQLEIKR-QZTJIDSGSA-N 424.549 1.668 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 508938383 JFQKVGYYWRPYJZ-GXTWGEPZSA-N 409.516 1.225 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 519194065 NRJAPBRMLLAMQA-OKZBNKHCSA-N 402.495 1.116 30 10 HDEE CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2 553548623 IACKEMQOTUWYAE-QYWGDWMGSA-N 406.527 1.448 30 10 HDEE N#Cc1ccc(N2CCC[C@H](N3CCCN(S(=O)(=O)C4CC4)CC3)C2=O)cc1 562753266 GSLYDMABJDPVTQ-IBGZPJMESA-N 402.520 1.554 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)NCCCC)cc21 586315683 YUGUNDCTLPIFRJ-HJFSHJIFSA-N 406.504 1.834 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](Cc2nccn2C)c2ccccc2)CC1 608726155 AVWBFEHFSUKVEJ-IBGZPJMESA-N 410.522 1.333 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 611553428 CPUDPKNKCPBNOE-IBGZPJMESA-N 409.508 1.614 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCc2cc(S(N)(=O)=O)ccc2F)c(F)c1 616417527 KQJZRWUSMHWROO-UHFFFAOYSA-N 401.416 1.103 30 10 HDEE COC(=O)[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725403050 SEMZUCSAWTZUQJ-MOPGFXCFSA-N 400.328 1.807 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1OCCC)[C@H]1CCS(=O)(=O)C1 729332967 FRUKOKOQLDMCDE-KRWDZBQOSA-N 401.488 1.924 30 10 HDEE COc1cccc([C@@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)N(C)C)c1 732439021 DCZLQEKABLNUKU-OZNQOIHVSA-N 401.467 1.124 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 746192806 AXYGIMYYZLPVQG-YWMAMYRUSA-N 406.483 1.666 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(OC(F)F)c2)c(=O)n1C[C@H]1CCCO1 747079490 CCXLJOJZTVUKQZ-OAHLLOKOSA-N 403.410 1.717 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)CC2=O)cc1 757061571 WOVNEQGBEJKHJU-SJORKVTESA-N 404.474 1.747 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CN2CCO[C@H](c3cccc(C#N)c3)C2)C1 761758834 BHEOXYVHYIZXKT-SFTDATJTSA-N 400.523 1.405 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)C1 766160552 JUOGTBRLVXAXGN-CYBMUJFWSA-N 407.492 1.305 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CCOC[C@H]2CCO)cc1 767593215 HYKKCSZFDRGDGX-GOSISDBHSA-N 412.490 1.996 30 10 HDEE Cc1nc(CN2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CC2)n[nH]1 775986314 CHMOYMRUPYNCQE-MRXNPFEDSA-N 402.462 1.468 30 10 HDEE COc1ccc(C(=O)NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cc1 780176770 JPRUNBBDQTWPRO-HXUWFJFHSA-N 404.419 1.756 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC 780276969 GQNANPMLVYHMAR-UHFFFAOYSA-N 410.370 1.246 30 10 HDEE C[C@H](CC(=O)NC[C@@]1(O)CCCC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 783768416 JLMUMJXVZUJZOO-JLTOFOAXSA-N 407.536 1.951 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)n1 788370293 QIYLHUPMUSGVOQ-JOCHJYFZSA-N 420.473 1.261 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)n1 788814510 PNMQWFKKDZTRLU-UHFFFAOYSA-N 404.492 1.069 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCCN(c2ccccc2)C1=O)c1cc[nH]n1 789978619 MGLXGFQGMOXETP-INIZCTEOSA-N 413.434 1.005 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)cn1 790017044 XPPKXKXWGMFHNW-BMFZPTHFSA-N 406.556 1.701 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)OCC(=O)N3CCOC[C@H]3C3CC3)CC2)o1 796279508 IWVRRTSXNNOFKI-KRWDZBQOSA-N 402.451 1.252 30 10 HDEE C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)N(C)CCC#N 796422443 FOSKRLFOKKXUKG-YSVLISHTSA-N 403.483 1.412 30 10 HDEE C[C@H](C(=O)OCc1nnc(C(=O)NCc2ccc(F)cc2)s1)n1cnc(C#N)n1 798743482 IHGIVOJBAYPDCF-SNVBAGLBSA-N 415.410 1.375 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)C1=NO[C@@H](CNC(=O)OC(C)(C)C)C1 798934391 FRDXPZUARJDLPB-CYBMUJFWSA-N 400.435 1.658 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 800781954 FJLBMNCVKDZXDJ-LJQANCHMSA-N 419.537 1.815 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCO2)n1 802680767 ZLRKIIJQXHQLRK-MOPGFXCFSA-N 410.526 1.495 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 804458623 GKDVXGKUFGVYIG-FXAWDEMLSA-N 417.465 1.668 30 10 HDEE C#CCCc1noc(-c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)n1 809397199 YRMTUTQZIPSOGV-UHFFFAOYSA-N 404.492 1.637 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812056719 SZZPOEYJKPZBJT-SFHVURJKSA-N 402.520 1.684 30 10 HDEE CC(=NNc1nc(Sc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)n[nH]1)c1cccs1 1084436276 ZMMRVEKPKSTQEO-UHFFFAOYSA-N 417.480 1.127 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3nccs3)n2N)cc1 1084598614 IZFFCQYRATYALV-UHFFFAOYSA-N 404.481 1.634 30 10 HDEE C=CCC(F)(F)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1124725876 GHWUTLDQJWMMDP-UHFFFAOYSA-N 402.419 1.502 30 10 HDEE COCCCn1nc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)ccc1=O 1135983173 RPBLUSUHJPKRMR-IBGZPJMESA-N 413.453 1.442 30 10 HDEE Cc1c(C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cnn1CCC#N 1136682385 UJDSHMFLFZCVPV-INIZCTEOSA-N 419.482 1.827 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 1137113948 APKREUVOPZNBLT-CABCVRRESA-N 403.483 1.257 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1140719728 OOJNGNLLFZDWTO-CQSZACIVSA-N 415.313 1.037 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Cl)cc([N+](=O)[O-])c3O)CC2)c1C#N 1154387011 ORRPEGFCLSWNMT-UHFFFAOYSA-N 404.814 1.830 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(S(=O)(=O)CC)CC3)n[nH]2)c1C 1179628335 ISBHNFJDNSJGAR-UHFFFAOYSA-N 406.512 1.184 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC[C@H]1[C@H](C#N)c1ccccc1 1251120189 BWOHGRMIGZRVTH-CVEARBPZSA-N 412.537 1.525 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCOC2)CC1 1286489706 DASNCPUYBZKZNI-MRXNPFEDSA-N 411.510 1.071 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1286509384 POIGKOBFPSMDCQ-HOTGVXAUSA-N 424.592 1.552 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[C@@]2(O)C[C@H]3CC[C@H]2C3)CC1 1286638217 WXKPHLXQTNEZKY-NHAYFPRASA-N 423.583 1.986 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@]2(O)CCN(C)C2)CC1 1286647221 AVEBWGZDWFQIHC-HXUWFJFHSA-N 416.551 1.493 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)N1CCOCC1 1286670646 ILDAQWWWTZPHDR-HNNXBMFYSA-N 404.515 1.127 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2O)C1 1286714776 WGZQHIUOQQZMGF-UHFFFAOYSA-N 412.494 1.657 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1286790583 URQGIFRVIQWJDS-CZUORRHYSA-N 420.539 1.176 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1286809518 TZYYSSRVNOAZFB-IRXDYDNUSA-N 417.535 1.865 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)n[nH]2)c1C 1290221701 QILPFUJCXWYTHO-UHFFFAOYSA-N 413.526 1.358 30 10 HDEE C=CCCC1(C(=O)N2CCN(CCCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1294668872 WBDPWPAMBDCXBB-RMMWZPCPSA-N 401.551 1.807 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1299476102 CGQCWMJKSDIODW-INIZCTEOSA-N 403.508 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncccc1N(C)C 1300441319 KNNSOOMXJRHJKR-UHFFFAOYSA-N 424.530 1.927 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1300493506 VTIMMYBSGVOKAF-HNNXBMFYSA-N 416.494 1.844 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1300579168 SDAKZQDNZZBVCI-LAUBAEHRSA-N 418.563 1.584 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCOC3)n2Cc2ccoc2)n1 1300680444 BPWZGEDCTMLEJE-SFHVURJKSA-N 410.478 1.906 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](C)C1 1300972303 LCNXGZBJBRSWDD-ZNMIVQPWSA-N 401.533 1.095 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1301054608 STUYEGJRTVTJCF-NXHRZFHOSA-N 412.469 1.764 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1OC 1301297579 QEZRRCPTZDMQDY-PMPSAXMXSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301519600 PVUJOJQYABORLG-RTWAWAEBSA-N 419.526 1.238 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N(C)C 1302312393 UDOCKAJQJYMGFX-JFRXWTBNSA-N 417.558 1.129 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCNc2ccccn2)CCO1 1303002239 UKRCXEJZTIDTCB-MRXNPFEDSA-N 410.482 1.140 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCOCC(F)F 1303826673 BOOODYFKOPLTOP-LBPRGKRZSA-N 420.486 1.300 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](C2CCOCC2)C1 1303970764 JUWMKKZVDUQIJO-INIZCTEOSA-N 405.520 1.780 30 10 HDEE CCn1c(C)cc2[nH]nc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c2c1=O 1306863952 BAUJUCRCLVELQO-UHFFFAOYSA-N 413.459 1.478 30 10 HDEE COC(=O)c1ccc(NCCNS(=O)(=O)c2ccc(Cl)s2)c(C#N)n1 1307076978 OBEATIFNZLSUPO-UHFFFAOYSA-N 400.869 1.845 30 10 HDEE CN(C)S(=O)(=O)CCN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1308124304 KYECLWUGVKGYEK-YUMQZZPRSA-N 404.323 1.981 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1309494717 VDVFFSZWIKJZFF-ROUUACIJSA-N 412.508 1.271 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@@H](C(=O)N(C)C)C2)c(C#N)cn1CCOC 1310522866 DHIMTLATSYQISS-CYBMUJFWSA-N 405.455 1.125 30 10 HDEE C=CCCOCCNC(=O)N1CCC(n2nncc2I)CC1 1312418572 QSCKQRXPKNAOIN-UHFFFAOYSA-N 419.267 1.822 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)N1CCc2ccccc2C1 1314402409 AAUVYFCHLRSHDM-YLJYHZDGSA-N 410.522 1.990 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1316039554 ULCFURUFNORRAZ-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CSCC(=O)N2)cc1 1351077694 XRXMQEWWTIEAHE-UFPHYQGISA-N 424.548 1.450 30 10 HDEE Cc1nc2cc(O)nn2c(C)c1CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 1354673410 CNNFHORIHTWAGG-UHFFFAOYSA-N 402.418 1.744 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1358925222 XXKVPMORQXDBKP-UHFFFAOYSA-N 410.478 1.591 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1358964077 SSTZTAAAJNWKMM-QGZVFWFLSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCCn1ccnc1C 1358968723 WGMHTABPFCGXEU-UHFFFAOYSA-N 416.489 1.984 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1359021748 ZVZMQVDKJNLGAG-UHFFFAOYSA-N 422.489 1.185 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 1359034916 GKPULBPDSRZJHH-YMGMXPECSA-N 405.568 1.576 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(C)=O)nc1 1359073138 DMEIDHCPZLDETK-JOCHJYFZSA-N 421.505 1.794 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1359127022 GCUPZVBHDJNKIQ-KRWDZBQOSA-N 404.559 1.749 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1359288542 KLQPRTWWSHMBOT-CQSZACIVSA-N 401.496 1.293 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359306595 LHUUFXCZZXLZHW-XZKMEQPCSA-N 419.526 1.308 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)CC)C1 1359324173 FBJOODSGUWCWTG-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2nn(C)cc2I)c1 1434929145 QKIPMCDNWDOVQU-UHFFFAOYSA-N 422.226 1.399 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCS(=O)(=O)C2)C1 1441046445 CKHPMLXWSBXROK-LLVKDONJSA-N 412.309 1.308 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 1456083752 ITCDEUVYKVMEJA-GOEBONIOSA-N 421.906 1.766 30 10 HDEE CCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1Cl 1463163806 PUIRSDSMDLUOEE-KPZWWZAWSA-N 419.894 1.493 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1 1463732705 BRNMJTZTAXOZAT-SJORKVTESA-N 402.538 1.528 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN(C)C)C[C@H]2CCCN2CC)c1 1464696411 PWEBDFSSYDLPHL-HXUWFJFHSA-N 419.591 1.972 30 10 HDEE N#Cc1cn(CCC(=O)NCCNc2cccc(Br)c2)c(=O)nc1O 1466414373 FMDYEWORIBATMH-UHFFFAOYSA-N 406.240 1.201 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1Cc2cncn2C1 1468260051 KSRYLYXTMVOGJM-CQSZACIVSA-N 401.492 1.223 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2C[C@H]2CCOC2)C1 1469727890 CQCGSPFFXLHXEW-YYIAUSFCSA-N 408.499 1.582 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCCc2ccc(C#N)cc2)C1=O 1470075065 RMSULJOIJDJVFN-GOSISDBHSA-N 414.506 1.980 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1ccc(F)cc1F 1470397970 VMRPTOBFTTXLOQ-MRXNPFEDSA-N 423.441 1.633 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN[C@H](c3ccc(O)cc3)C2)ccc1F 1470724782 HVYDZTUUETVEQC-SFHVURJKSA-N 419.478 1.782 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1475545500 YRLJFUASTBWGEP-MOPGFXCFSA-N 424.519 1.372 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc3c(c2)N(C(=O)COC)CCC3)CC1 1477181468 JDKXXGQIZNENGX-UHFFFAOYSA-N 412.490 1.606 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCc3ccc(O)cc3)CC2)c1C#N 1492727654 CABCNGLQXLENMU-UHFFFAOYSA-N 406.494 1.775 30 10 HDEE CN(C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1503402477 GXFIHMWAGHQKJJ-HXUWFJFHSA-N 424.553 1.019 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCC1 1505083694 ZZVSTUVBWBPNQI-BZSNNMDCSA-N 404.515 1.217 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1505322877 UNRSUFZQKXQEHE-ZNMIVQPWSA-N 403.870 1.867 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCO2)c1 1507550865 RAJKMUBZSZLEJN-QZTJIDSGSA-N 422.489 1.464 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1507574701 PCJRLLVZONUHES-AWEZNQCLSA-N 421.523 1.652 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1507617675 YFGOPNXJJAQQSN-FXAWDEMLSA-N 411.506 1.707 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CCC(=O)N1CCOCC1 1507618570 PRHNNVQRPVTHCD-UHFFFAOYSA-N 411.506 1.792 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1507626808 PHBZETIPTUREFI-GOSISDBHSA-N 400.504 1.587 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507636514 ADKVFBSDTYLLHT-BRSBDYLESA-N 422.551 1.571 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(OC)nc2OC)CC1 1507732187 JWENWFHFZJMHEG-UHFFFAOYSA-N 400.483 1.030 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1CCS(=O)(=O)N1CCSCC1 1507762030 RJYWPLQYLVKXDQ-GOSISDBHSA-N 411.597 1.772 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(OC)CCOC1 1507811989 HKHHXITWOOVBPL-YOEHRIQHSA-N 401.533 1.096 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN(CC)S(C)(=O)=O 1507983160 SJWFYONSQKKLLH-UHFFFAOYSA-N 424.527 1.300 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)CC1 1517610841 ZIPMLAIGNMCYBY-SFHVURJKSA-N 407.478 1.623 30 10 HDEE COCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1519080956 KNXHEMFQEGPPDO-JQHSSLGASA-N 404.515 1.215 30 10 HDEE C#CC[C@@]1(C(=O)Nc2ccn(CC(=O)N(C)C)n2)CCCN1C(=O)OC(C)(C)C 1519967082 XSCWIINJQHFNDA-FQEVSTJZSA-N 403.483 1.703 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C1(OC)CS(=O)(=O)C1 1520237002 RHOARFDKDLXOKZ-UHFFFAOYSA-N 406.273 1.916 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCS(=O)(=O)c2ccc(C)cc2)n1 1531362830 KDABHDHYPFYDDL-UHFFFAOYSA-N 403.504 1.664 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)C1(c2ccc(C#N)cc2)CC1 1534483090 WYUNXXYXPNALFW-UHFFFAOYSA-N 404.470 1.481 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3csc(Cc4ccc(F)cc4)n3)C[C@H]1CS(=O)(=O)C2 1538539777 LZLBTXUVKXNRFF-LIRRHRJNSA-N 419.503 1.812 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc(COC)n1 1539015743 RELJQGLBWSLOLK-CHWSQXEVSA-N 409.537 1.289 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1539179679 QYNCZUFXHMKFRX-CYBMUJFWSA-N 409.899 1.377 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(OC)c1OC)[C@H]1CCS(=O)(=O)C1 1539218771 CSFIMAUSYZJLTH-INIZCTEOSA-N 418.519 1.533 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1539224493 HLXRMERHEOGUAY-MRXNPFEDSA-N 417.535 1.764 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1539343211 HGOGDUWMDNDTBV-HOTGVXAUSA-N 417.535 1.914 30 10 HDEE C#CCN(CC)c1nnc(CCc2ccccc2)n1CCN1CCCS1(=O)=O 1539376973 INNRZSLPZBZRJT-UHFFFAOYSA-N 401.536 1.558 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1539513956 UEOJIUZRLBOFSX-UHFFFAOYSA-N 420.564 1.178 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 1539590482 GRCZSXBZAJOVDC-UHFFFAOYSA-N 406.489 1.851 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CC(OCC)C2)CC1 1539849292 WBZWOZHDXNRGFM-MDCZIUGASA-N 410.540 1.267 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nncn1-c1ccccc1 1540072811 NVZHMCBUAZGRPF-HNNXBMFYSA-N 413.507 1.431 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@@H](C(=O)OC)C1 1540872106 CUPGSESQKHMDOK-MRXNPFEDSA-N 415.469 1.700 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2nncn2CC)C1 1540884307 NDXYHGCTJXUMCH-OXJNMPFZSA-N 417.514 1.371 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1541800514 BDFRACURRRBTAL-HOTGVXAUSA-N 402.524 1.965 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1542805376 PFIVCEGEIOAYKS-IAGOWNOFSA-N 407.511 1.533 30 10 HDEE C=CCOc1ccc(CC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 1544469916 TWQRRZLXJPGVQP-UHFFFAOYSA-N 407.470 1.682 30 10 HDEE C[C@H]1[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CCN1C(=O)OC(C)(C)C 1556509466 HYSABLLXRXEFFU-WWGRRREGSA-N 419.482 1.361 30 10 HDEE C[C@@H](CN(C)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1556984702 ZWNRTIIDKJXPKW-AWEZNQCLSA-N 409.508 1.928 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)NCC3(C#N)CCCC3)c2)CC1 1557334081 GQWGUIZDCXFOCO-UHFFFAOYSA-N 418.519 1.353 30 10 HDEE Cc1c(C#N)cccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1557592400 CACTWKGPVUDDBI-UHFFFAOYSA-N 412.515 1.603 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](CO)[C@H](C(F)(F)F)C2)s1 1557853690 AAZOJARHQOQGDD-CMPLNLGQSA-N 412.455 1.384 30 10 HDEE C#CC1(O)CCN(CC2=C(C(=O)OCC)[C@H](c3ccc(Cl)cc3)NC(=O)N2)CC1 1560027167 UCGIZOXETFGHRP-SFHVURJKSA-N 417.893 1.971 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1560209688 VBEWIJMWIGTFSP-FQEVSTJZSA-N 415.559 1.496 30 10 HDEE C=CCN1CCC(NC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1 1563959166 ZESTWAAKHLECIM-UHFFFAOYSA-N 414.503 1.144 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1565769463 DTDNVHNKHXOPAA-KRWDZBQOSA-N 422.890 1.308 30 10 HDEE C[C@H](CC(=O)NCC(C)(C)c1cccnc1)/N=C1/NS(=O)(=O)c2ccccc21 1570375315 CPLVJIVQJDONDX-CQSZACIVSA-N 400.504 1.993 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CSCC#N 1585725422 IYEPSOZKPUNBGN-PWSUYJOCSA-N 409.430 1.623 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCOCCS(C)(=O)=O 1587608671 DLULSAHVGCLMLE-OAHLLOKOSA-N 406.508 1.473 30 10 HDEE C#CCN(c1nnc(C)n1Cc1c(Cl)cccc1OC)[C@H]1CCS(=O)(=O)C1 1588035660 WOCXZXBLWGBSIC-AWEZNQCLSA-N 408.911 1.924 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053374 DMSBJYNQUXBPDM-IAGOWNOFSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(C)(=O)=O 1588110198 ZMCUGFVDPKBPAG-UHFFFAOYSA-N 406.895 1.725 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588162474 UHEHTBQFLMMRJI-SFHVURJKSA-N 420.473 1.227 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCO[C@H]2CCOC2)CC1 1588811501 KVOKLZALZWLJJQ-OALUTQOASA-N 403.527 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1588929571 CYAAKNIBHGNJPT-CECAUBDESA-N 415.538 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccnc(OC(F)F)c2)CC1 1588947579 RHYMJRMXZZMYAG-UHFFFAOYSA-N 418.448 1.851 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589529231 MKMCTYBKOOYPPQ-MJGOQNOKSA-N 402.543 1.347 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1595715275 UPYUPDGOUQMPKO-ZWKOTPCHSA-N 418.542 1.123 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CC2([S@](C)=O)CC2)C1 1595737738 HFDMOKZNSAZWEA-UULLZXFKSA-N 401.536 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@H](COC)C1 1595824157 XLPBFVOLHBWZIA-KRWDZBQOSA-N 412.556 1.463 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1596891694 KHIDVVTZLCTXRW-MCIONIFRSA-N 407.496 1.553 30 10 HDEE CCn1cnnc1Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1615743286 UILAYIYCKWNHDL-OAHLLOKOSA-N 402.503 1.792 30 10 HDEE COc1ccc(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCC3)CC2)c(OC)c1OC 1615791461 DQYHJTLIIDCJFR-INIZCTEOSA-N 417.506 1.915 30 10 HDEE COC(=O)c1n[nH]cc1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1616723713 KNSIVBFXNFZQBL-DKXWOSEQSA-N 403.439 1.922 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCOCC(F)(F)C(F)F)CCO1 1620355920 PAWNQRZVUDLPLN-ZDUSSCGKSA-N 414.363 1.986 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCS1(=O)=O 1620358868 HTEBABUIIOMXES-JKSUJKDBSA-N 420.539 1.327 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cnc2sc(C(=O)OCC)c(C)c2c1)C(=O)OC 1622225968 DNLKQFWSPMUEHJ-CYBMUJFWSA-N 410.473 1.625 30 10 HDEE CC(C)(C)OC(=O)N1CCc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)nc2C1 1622395706 HOQBYXSCDIAFKN-UHFFFAOYSA-N 413.478 1.573 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1622689570 ZORGPBKLNBPGKF-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2nc3n(c2C#N)CCOC3)CC1=O 1623340341 OWSGWFFMYSBAFN-LLVKDONJSA-N 415.837 1.939 30 10 HDEE C=CCC[C@H](NC(=O)c1cn([C@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OCC 1624304412 VQVHAVWWMQXBDZ-HOCLYGCPSA-N 411.524 1.994 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)c1 1624423949 LXWYUSZCSOJZKZ-HNNXBMFYSA-N 410.492 1.099 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1625165672 SKEAALBOQRZEET-OAHLLOKOSA-N 404.875 1.815 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1628385798 FAXLEBCAURJYSE-WGPYCZSNSA-N 410.446 1.224 30 10 HDEE Cc1cnc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)s1 1628603462 ZCOIWQPAPAVOSD-UHFFFAOYSA-N 408.480 1.850 30 10 HDEE CC[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Oc1ccccc1C(F)(F)F 1630620977 GEJYKOOPXKETJD-GFCCVEGCSA-N 410.352 1.813 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(c2ccc(Br)cc2)CC1 1633522497 KATVNKRFOWNDOX-UHFFFAOYSA-N 416.341 1.882 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)CC2)c1C#N 1635508402 OIOHCUIBLPANOB-KBPBESRZSA-N 419.530 1.734 30 10 HDEE C=CCONC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Br 1635640898 RBDJIGODBGNTCD-ZDUSSCGKSA-N 419.297 1.216 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nn(-c2ccccc2F)cc1O 1636270448 GZNRTTUURFVNCO-CYBMUJFWSA-N 407.409 1.730 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(=O)OC)[C@@H](C(=O)OC)C3)n[nH]2)c1C 1637385504 LAMXHIZMATZLNG-KBPBESRZSA-N 415.450 1.110 30 10 HDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1=O 1640995897 VJOPNCBYAYKSEW-UXHICEINSA-N 409.534 1.992 30 10 HDEE C#CC1(O)CCN(C(=O)C(C)(C)S(=O)(=O)c2ccc(Br)cc2)CC1 1641976413 IDEWCYXEQIWGHJ-UHFFFAOYSA-N 414.321 1.988 30 10 HDEE CC1(c2nnc(C3CCOCC3)o2)CN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 1643901105 FTBCADYGDWTPPV-UHFFFAOYSA-N 416.503 1.882 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1644302625 QYTQCUZSNYYNIL-UHFFFAOYSA-N 400.382 1.542 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@@H]1CC[C@H](COC)O1 1645171793 YQZLSTXKKZVUQQ-XDNAFOTISA-N 410.511 1.715 30 10 HDEE COc1cc(N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)cc(OC)c1OC 1645222991 AOAMQSSWKBKYLO-SFHVURJKSA-N 419.522 1.906 30 10 HDEE C=CCN(CC(=O)NC1CCN(C(C)=O)CC1)[C@H](Cc1ccccc1)C(=O)OCC 1645290996 POISBFIIEDFJLQ-OAQYLSRUSA-N 415.534 1.776 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC(N4CC[C@H](O)C4)CC3)CC2)c(F)c1 1645897068 IGBDCKITLGGUHC-IBGZPJMESA-N 400.498 1.971 30 10 HDEE Cc1nc(N2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)n[nH]1 1648165648 XVTBKIQZZQIYKP-UHFFFAOYSA-N 406.412 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC[C@H](O)COc2ccccc2C#N)C1 1648332804 CIMCEIMVRVUTSB-UWJYYQICSA-N 405.495 1.650 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3c3ncc(OC)c(O)n3)cc2C1=O 1648402081 IDIHMVFAXSKDBS-HNNXBMFYSA-N 408.414 1.950 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCOc3ccc(Cl)cc3Cl)C2)c(=O)nc1O 1648787083 HIIVDZNVCOPRBH-UHFFFAOYSA-N 409.229 1.980 30 10 HDEE Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1651245264 IFWWABZQWDVZFH-GOSISDBHSA-N 405.462 1.728 30 10 HDEE C=CCC1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)c2)C1 1651764175 RSMWXRZOBWOPDB-UHFFFAOYSA-N 416.455 1.979 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)C1 1653281385 KZMCUJIJBWGDET-UHFFFAOYSA-N 405.303 1.748 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCC4(CCOCC4)O3)CC2)cc1 1653740391 CJMBFBMEMZDHDU-GOSISDBHSA-N 405.520 1.593 30 10 HDEE N#C[C@]12CN(Cc3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1654975406 RCLZMLVOSDNYTD-SMDDNHRTSA-N 400.254 1.727 30 10 HDEE CCOC(=O)[C@H]1[C@H](C)N(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)[C@@H](C)C[C@H]1C 1655873076 DGLBZXLHZIVZMU-QFCZJPRCSA-N 406.571 1.977 30 10 HDEE C#CCC1(NC(=O)Nc2cc(S(C)(=O)=O)ccc2OCCOC)CCOCC1 1671170517 LLEPEQYNSIQLQC-UHFFFAOYSA-N 410.492 1.809 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](O)Cc2ccc(F)cc2)C1 1671494839 GQQPBBQTUUYTDO-BHYGNILZSA-N 406.458 1.787 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCCS(=O)(=O)CCc3ccccc3)CC2)C1 1672092274 VGQULDOGWQYOCX-UHFFFAOYSA-N 406.504 1.691 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1F 1674036590 QVMAJGNOIRJOCK-XLIONFOSSA-N 423.872 1.813 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCCOCCN(C)C(=O)OC(C)(C)C)n1 1674545076 MGIGXDPZQHFQPH-UHFFFAOYSA-N 407.515 1.931 30 10 HDEE C#CC[C@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1677401504 FAHSLDAOYXUSGV-HOTGVXAUSA-N 401.463 1.872 30 10 HDEE CN(C(=O)NC1CCN(c2ccccc2C#N)CC1)C1CCN(S(C)(=O)=O)CC1 1683180760 BNGIFWUCAYVLGI-UHFFFAOYSA-N 419.551 1.592 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(-c3nncnn3)cc2)n1 1683739467 NOMZUNGTJKCKCS-UHFFFAOYSA-N 406.450 1.122 30 10 HDEE C#CCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689924274 AVTQNKZBYYXYBN-LJQANCHMSA-N 419.489 1.495 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1690073750 FQPAIWZTDQRIBG-UHFFFAOYSA-N 414.510 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H](OC)C1CC1 1690100986 KGFMQNHQVPJPNE-QGZVFWFLSA-N 401.467 1.517 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1690189139 UMBCOSUUMGMFAF-JOCHJYFZSA-N 414.554 1.353 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690998990 ABDDMCZFXQEOHO-GDBMZVCRSA-N 424.484 1.758 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCC(=O)NC1CC1 1694738918 GRJGRSORUVEHGG-UHFFFAOYSA-N 408.510 1.493 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1696589893 BTASQFZAUCOTAL-LJQANCHMSA-N 423.521 1.806 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCOC2)C1 1698203247 YKMJXFBAVVZMTG-GHTZIAJQSA-N 413.478 1.210 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCN2CC=CCC2)c1 1698485386 XVZSZPPOONKVHG-UHFFFAOYSA-N 405.506 1.780 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1705492411 QEKYBKJFYZLWJO-ICSRJNTNSA-N 402.587 1.904 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C(C)C)CC1 1705520165 KNWPWSBJCLBZSO-UHFFFAOYSA-N 414.554 1.899 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)(F)F 1705544509 SSPTUSRODWIJFM-UHFFFAOYSA-N 419.205 1.784 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SCC)c1 1705551098 GMFZRGCAKZNSGI-HNNXBMFYSA-N 405.549 1.805 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1705630021 CNXQHUNOUDBGDN-UZUQRXQVSA-N 423.517 1.976 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CCCN(CC)S(C)(=O)=O 1705674643 NJPLGXAQXMMSFE-QFBILLFUSA-N 409.556 1.446 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(CC)C(C)C 1705675173 YFTFCLSIDTUBAR-YLJYHZDGSA-N 407.584 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)[C@H]1CC 1705698854 ZIEUCRUGPKGJDX-MLHJIOFPSA-N 421.542 1.698 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1NC(=O)CC1(C)C 1705710954 VIDKZABYIFAKGH-ZIAGYGMSSA-N 412.560 1.205 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705829200 KHKJMIHXSYBYJM-CABCVRRESA-N 417.470 1.091 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1)C1CC1 1705852683 ARDQVXNRTYSHPC-FUHWJXTLSA-N 401.559 1.410 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1CCCn1cnnn1 1705860611 UGYWNXZJYYTXPG-IBGZPJMESA-N 419.493 1.923 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705899439 SKDCNUVXSNVYEW-HXUWFJFHSA-N 423.565 1.464 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CC1 1711444290 FZVIJOVEGUXOJP-UHFFFAOYSA-N 422.489 1.732 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1722356195 CGBOTRLYRRGINZ-UHFFFAOYSA-N 411.453 1.301 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1722365466 DRGPGYDQZQPCNC-ROUUACIJSA-N 404.536 1.909 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1COc2ccccc2O1 1722374009 PQUUOFRUXYQCMV-ROUUACIJSA-N 410.474 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)CN1CCCC1 1722380008 AMFFZWPZGYATMV-KRWDZBQOSA-N 408.506 1.811 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(C)cc2)CC1 1722437884 LEDWHAUWDSFECU-UHFFFAOYSA-N 405.506 1.821 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CCOC1 1722502881 KBXAHANRKRBWRR-ZWOKBUDYSA-N 403.527 1.854 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(OCC(N)=O)CC1 1722525153 PPWHYJZMDZROOU-UHFFFAOYSA-N 418.523 1.316 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1722671806 CFZJPKKXQUMOHP-QGZVFWFLSA-N 421.567 1.761 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCS[C@@H](CC)C1 1722691736 SKGLVKIKMSWMMC-AWEZNQCLSA-N 415.523 1.559 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1723646278 POBQKLUWRURECJ-NRFANRHFSA-N 423.477 1.372 30 10 HDEE CC1(C)[C@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@@H]21 1724017275 FSMQHALRMYGZBB-IRXDYDNUSA-N 415.519 1.866 30 10 HDEE CNC(=O)CCn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729722456 FLNRYUCQUQEWMR-AWEZNQCLSA-N 409.498 1.058 30 10 HDEE C[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1731138316 BKJWCBXQLFMDGY-FFCCVRBZSA-N 416.526 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1CCN1CCCS1(=O)=O 1740561010 UYLSPKXGSVEUEU-KRWDZBQOSA-N 401.536 1.557 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cccs2)CC1 1740689607 FEFZJNCZIZKCPC-UHFFFAOYSA-N 421.530 1.985 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740718578 RGCAYYRQZKWWBP-BZUAXINKSA-N 408.524 1.246 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740876727 WFOGKPXUQUJHML-IXDOHACOSA-N 409.556 1.956 30 10 HDEE C=CCn1c(N2CCC(CN3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1740950226 XOCFAILVOGMVRJ-OAQYLSRUSA-N 405.543 1.665 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740953713 OXAYEZIBCCUVKN-BEFAXECRSA-N 421.505 1.845 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1740958570 QQTMLDMNHRXQQU-VLIAUNLRSA-N 404.515 1.173 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccco1)Cc1ccco1 1740959084 ZLFJEFDEBHPYRI-KRWDZBQOSA-N 424.461 1.924 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccn1 1740962373 ZZZZNYLPPALCDR-UHFFFAOYSA-N 416.489 1.850 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1742905159 AJNZCFZCUBXCNE-LRAJWGHMSA-N 410.478 1.024 30 10 HDEE CCC1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1744301068 GACCAUPIWDUKGE-CVEARBPZSA-N 407.540 1.879 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCCNS(C)(=O)=O 1747707278 OUZBARFYYDENCP-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)C(=O)C1 1748697498 KONWRRTZPMPLBG-UHFFFAOYSA-N 400.527 1.622 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748811850 MOKJJDQTQOPSHJ-AEFFLSMTSA-N 415.519 1.393 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1748824348 OLLBEGBEIWRKMZ-KSZLIROESA-N 424.567 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ncnn2-c2ccccc2)CC1 1749015450 WKPKESGHUXAXAZ-UHFFFAOYSA-N 418.505 1.435 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@H]1C 1749213937 SDUUJRRFTPNECO-RRFJBIMHSA-N 417.601 1.811 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(CS(C)(=O)=O)CC2)CC1 1749291961 LZUYHUDOLKGGKT-MRXNPFEDSA-N 412.556 1.983 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(CC)C(=O)C1 1749421979 UNCURMCRGVTDQH-UHFFFAOYSA-N 421.509 1.946 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1749459909 VPVUNRTVHJATIH-QGZVFWFLSA-N 402.499 1.732 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CC[C@H](C(N)=O)C1 1749651445 VNCADAFFGYSUHZ-KBPBESRZSA-N 416.457 1.171 30 10 HDEE C[C@@H]1CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1752191249 VVSPSKVXOBRLTL-CJNGLKHVSA-N 420.495 1.113 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1760113991 DNLSCUIOHDVLRX-APWZRJJASA-N 403.490 1.980 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCC[C@@H]1CO 1760123155 ZLDYHWSKSHZHPL-AZUAARDMSA-N 413.570 1.835 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCNC(C)=O 1760173843 YNIHYNCITMZIQE-UHFFFAOYSA-N 401.467 1.567 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1760181580 XVXQIUJQXYGBKQ-CVEARBPZSA-N 422.507 1.270 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1760189733 VXYHDSIMZCCWCO-UONOGXRCSA-N 420.457 1.750 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN(CC)S(C)(=O)=O 1760215450 AVAMHEQSCSABTO-UHFFFAOYSA-N 414.535 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2oc(CCC)nc2C)CC1 1760258001 NXFQUZKBQLORKD-UHFFFAOYSA-N 408.510 1.731 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cc(C)on2)CC1 1760269965 QQFBDLLATOOZDZ-QGZVFWFLSA-N 412.494 1.483 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCc3nccn3C2)CC1 1760270377 PPPDSTGFFKEWNJ-SFHVURJKSA-N 423.565 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1760270455 PSDUWWVKRYOLAK-RBUKOAKNSA-N 417.554 1.494 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1760275199 RYHVOXSYNPIDHV-CABCVRRESA-N 404.540 1.631 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)CC1 1760410709 OJBIJTDOLNICSQ-UHFFFAOYSA-N 405.528 1.419 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)c2ccccc2)CC1 1760529571 BEJMVSLKUGEERZ-GOSISDBHSA-N 424.505 1.394 30 10 HDEE Cc1cnn(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1762194741 MQXQDTAYNVZNQQ-VQTJNVASSA-N 417.489 1.966 30 10 HDEE CCc1nnc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)s1 1764687182 HSRJVFINKIRBIJ-ZDUSSCGKSA-N 400.512 1.821 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](COC)OC 1767571309 GCFLUTBDMYZWLA-YOEHRIQHSA-N 400.483 1.296 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1769488322 CDQMLDQOMOAMHU-KRWDZBQOSA-N 408.466 1.338 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O 1771201338 YKDZWHGCRBECFJ-YJBOKZPZSA-N 413.544 1.567 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1771323104 DWXRPUPUJDVXKI-QGZVFWFLSA-N 410.478 1.324 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1848518760 RZNRVHLDTHJVFB-UHFFFAOYSA-N 421.501 1.640 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCc4[nH]nc(C#N)c4C3)cc2)CC1 1849522789 RPRJWJWGMUOHML-UHFFFAOYSA-N 413.503 1.900 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CNC(=O)c3cc(-c4cccc(OC)c4)nn32)CC1=O 1850570322 DDYWGHPWXWRVEB-KUHUBIRLSA-N 410.430 1.378 30 10 HDEE COc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1Cc1ccc(C)cc1 1850971442 CTZASMDQFCSISP-UHFFFAOYSA-N 417.473 1.873 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CO2)nc1 1851783178 SZHIDPMCTFRYQE-CXAGYDPISA-N 414.368 1.948 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc3c(c2)OCC(=O)N3)CC1 1851938849 ZUGLMLABIFCOKA-UHFFFAOYSA-N 407.430 1.263 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)n1 1852396877 IYDPCALAVLBOFX-IEBWSBKVSA-N 418.453 1.739 30 10 HDEE Cc1nc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)c(C#N)c(C)c1Br 1852537048 YUVUICKMUAHAOJ-VIFPVBQESA-N 415.313 1.439 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)C[C@H]2OC(=O)c3ccccc32)CC1 1852622746 HMAPZXFFDUWYMF-LJQANCHMSA-N 406.442 1.920 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(F)cc2)CC1 1852688582 JEEOHTDVCYJAKS-IBGZPJMESA-N 409.527 1.686 30 10 HDEE Cc1nc(N(C)C)cc(N2CCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)CC2)n1 1853061914 XZPFFCNXKLOOAI-UHFFFAOYSA-N 424.896 1.986 30 10 HDEE CS(=O)(=O)N1C[C@@H](C(=O)NCC#Cc2cccnc2)Oc2ccc(Cl)cc21 1853100233 QWKNEZWXRSATEU-KRWDZBQOSA-N 405.863 1.430 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCC[C@@H](n3ccc(=O)n(C)c3=O)C2)n1 1853285501 IBKVMYAGUPKRBA-GFCCVEGCSA-N 421.379 1.618 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 1853421887 DRCZFKMNRDCAHY-UHFFFAOYSA-N 422.485 1.462 30 10 HDEE C=CCN1CCN(Cc2c(Cl)n[nH]c2C(=O)N(C)Cc2c(C)nn(C)c2C)CC1 1853551657 WYJPCCWVXLYJMM-UHFFFAOYSA-N 419.961 1.989 30 10 HDEE CN(C)CCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1cccc(F)c1 1853601995 CDKLBMDJXLUOHF-UHFFFAOYSA-N 420.466 1.539 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cn2nc(C)cc2C)C1=O 1854100141 NKPYQYNOJJWQNE-ROUUACIJSA-N 401.511 1.126 30 10 HDEE C=CCN(CC=C)[C@H]1CCN(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854551719 LEIQQCCYTYZALE-HOCLYGCPSA-N 417.487 1.021 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855736156 ZBYURECQQBCHGX-MRXNPFEDSA-N 411.483 1.939 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1855869911 JOFCQPKAAMEDLQ-OAHLLOKOSA-N 407.467 1.210 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O)n1cccn1 1855961375 LQYCDDXIVJONPJ-WMZOPIPTSA-N 407.478 1.051 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C1(C)C 1856396068 YEIXZXPLLHKQFK-UHFFFAOYSA-N 405.520 1.720 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N3CCC(c4ncccc4C#N)CC3)C2=O)nn1 1856458475 JNJWYKNYCHMJRF-QGZVFWFLSA-N 406.446 1.373 30 10 HDEE N#Cc1ccc(CN2CCC([C@H]3CC(=O)N(C(=O)CN4CCCC4=O)C3)CC2)s1 1856903256 IRMWEOHOUNXDHV-INIZCTEOSA-N 414.531 1.829 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@@H]1CCN(C)C1=O 1857080761 PFYFQTSQCIIYCI-IEBWSBKVSA-N 415.538 1.870 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccc3c2OCCO3)C1)[C@@H]1CCN(C)C1=O 1857263191 QICBNWCMHKGHFY-NVXWUHKLSA-N 413.474 1.165 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ncoc2C2CCC2)C1)[C@H]1CCN(C)C1=O 1857270650 PSMZODWSEHKEBF-ZBFHGGJFSA-N 400.479 1.650 30 10 HDEE Cc1nnc(C(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CCC2=O)o1 1857273734 ZHWWQNUVQOTGMQ-OAHLLOKOSA-N 408.462 1.903 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc(Cl)c2C)C1)[C@@H]1CCN(C)C1=O 1857300149 YUFVKBZWPMNFIF-RHSMWYFYSA-N 404.898 1.751 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)Cn3c(=O)sc4ccccc43)C(=O)C2)cc1 1857387692 UULPEDPTBADKRP-UHFFFAOYSA-N 406.467 1.806 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)cc1 1857432520 HGZZCZNDXYHZNR-ROUUACIJSA-N 409.421 1.772 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1 1858375781 SXHXOIPSWBSNNU-OAHLLOKOSA-N 402.410 1.641 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c(O)c1 1862590917 BMOFNSCFUMJPIX-SFHVURJKSA-N 412.398 1.518 30 10 HDEE Cc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 1868135030 JQAMYBCMXROWLT-UHFFFAOYSA-N 400.460 1.486 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871699884 UPLHXYQCLSJFMM-UHFFFAOYSA-N 408.466 1.277 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 1873528694 FHNVZCWJDNVLQF-UJHWAJGWSA-N 424.866 1.489 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(F)cc1 1874429777 AXNYSIBHIPOIAN-UFFVCSGVSA-N 406.487 1.896 30 10 HDEE COc1cc(/C=N/n2c(CC(C)C)nnc2SCC(N)=O)cc(OC)c1OC 1874488398 VHQQIERMMRWQKC-AWQFTUOYSA-N 407.496 1.962 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1889620880 OWGAQJNNSNXUDE-UXHICEINSA-N 413.547 1.581 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)C2=NN(c3ccccc3)C(=O)CC2)C1 1891288652 SXOGMHGIKBVGOJ-INIZCTEOSA-N 404.430 1.901 30 10 HDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)NS(=O)(=O)CCC#N 1954224522 HZBCNPHMXUZHJM-UHFFFAOYSA-N 406.505 1.237 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985193472 DWFDYKAPPAAIOC-MOPGFXCFSA-N 415.538 1.678 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)N1CC[C@@H](C#N)C1)C(F)(F)F 2118171251 VCPXEKXWHXWAEH-QWRGUYRKSA-N 400.423 1.369 30 10 HDEE C#CCN(C(=O)c1cc(I)sn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c1n[nH]cc1C(=O)OCC 2196997192 KYRUTXRYFCEVPZ-UHFFFAOYSA-N 402.473 1.336 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CCO 2221672517 ABSPYAYHPBJTGI-HNNXBMFYSA-N 411.296 1.997 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221679842 LWWAJGDLVMOCMX-HIFRSBDPSA-N 411.296 1.995 30 10 HDEE CO[C@H]1C[C@](NC(=O)OC(C)(C)C)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243703967 YVEDPYMRWJYEQO-LDTOLXSISA-N 408.304 1.810 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H]1CNC(=O)OC(C)(C)C 2247839561 YUXQLPLNTOANOG-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C[C@H]2OCC[C@H]21 2247934007 WEUYYOPSMXPKIY-ARFHVFGLSA-N 420.315 1.904 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2255796162 MMUQMSXKMDWMDI-CYBMUJFWSA-N 415.342 1.573 30 10 HDEE CN1CC(CN(C)S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282307866 JKSXGTRPQYWHIP-UHFFFAOYSA-N 420.793 1.883 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C1CCNCC1 2282338225 QCCYETDZJJLEBU-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CN(C[C@@H]1CCCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494320 YJFCBVSWWHPBGK-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC1(C)NCCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497692 UATWYHDVXQUQQF-AWEZNQCLSA-N 400.375 1.856 30 10 HDEE CNCCCN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282498646 HHMYHCCJYLSXOZ-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCc2cnsn2)c1B1OC(C)(C)C(C)(C)O1 2282499788 FVGJXEDCVZMWCI-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CN(C[C@]1(O)CCOC1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616068 WLPXMTPROXJLGN-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE CN(C)CCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282831313 IIXFGFUJBSNLOU-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@@]2(Cl)CC2(C)C)n1 2282832898 CVZAKPMFNMCIQP-INIZCTEOSA-N 403.741 1.405 30 10 HDEE CNC(=O)[C@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834597 WRRLBUJMJWBBMH-JTQLQIEISA-N 402.347 1.111 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCOCC23CC3)OC1(C)C 2282841904 YTKBRPMYSBRGME-UHFFFAOYSA-N 400.331 1.137 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCC[C@H]3N)s2)OC1(C)C 2282848961 UXPVIGYLUOGQBG-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE CO[C@H](C)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284389699 OOKVRGOVLWGULC-LDYMZIIASA-N 403.693 1.919 30 10 HDEE CON(CC(=O)O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284394013 SLQVRZPFMDYPQJ-UHFFFAOYSA-N 405.665 1.276 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401473 AWRQQQGZRACYKY-GXFFZTMASA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@]3(C)C(=O)O)c2)OC1(C)C 2284409209 GIICZHXYENEROL-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCc2csc(CN)n2)OC1(C)C 2286720758 IFEGUYGZRWNIRH-UHFFFAOYSA-N 415.371 1.441 30 10 HDEE CN(CC(F)(F)C(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2295303786 NWHDZPUYOXQTFO-UHFFFAOYSA-N 411.257 1.388 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@@H](c2cccc([N+](=O)[O-])c2)C1=C(O)c1ccco1 2296940664 VZRPVMWHCJBGIM-INIZCTEOSA-N 402.359 1.618 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)N(C)Cc1ccccc1 2300225750 OOJAKVLSOAGXAT-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE COc1cc(C=NNC(=S)NCCCNC(C)=O)cc(Br)c1O 2318776533 MDLXYWWFZRCWHC-UHFFFAOYSA-N 403.302 1.488 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccc(O)c(O)c2)CC1=O 2327906572 HIDMGIQINIVQRN-CYBMUJFWSA-N 419.507 1.770 30 10 HDEE Cc1ccccc1C=Nn1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 2329013101 BJBOUHNRDZPTCY-HNNXBMFYSA-N 400.508 1.770 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2NCCNS(=O)(=O)C2CC2)OC1(C)C 2364862125 DOPMECSKHNNHKW-UHFFFAOYSA-N 401.725 1.528 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(N(C)C(=O)OC(C)(C)C)CC(OC)C1 2367800605 LATQYBHAANVBMX-HVEKOLDVSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCC1 2367812120 PQGXFYSOXMURGW-HUUCEWRRSA-N 400.541 1.483 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)CC1(C)C 2367825884 TTXONAAGIKOWBQ-KUHUBIRLSA-N 400.541 1.163 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)C[C@@H]2CS(=O)(=O)C[C@H]2C1 2377813214 SNDZZZGJROIZNK-ZIAGYGMSSA-N 402.513 1.325 30 10 HDEE CC[C@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccccc1OC 16893841 VQFAZCOQAQCWCE-OAHLLOKOSA-N 419.463 1.071 30 10 HDEE C=C/C=C/C[C@@H](C)[C@@H](O)[C@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96031161 RQANTYOZRJNRNJ-YPZILSBLSA-N 423.598 1.917 30 10 HDEE O=C(NCC#Cc1ccccc1F)c1ccc(S(=O)(=O)N2CCOCC2)cc1 96343304 ZOHZFEMMHVPLPG-UHFFFAOYSA-N 402.447 1.628 30 10 HDEE CCOc1cc(/C=N\n2c(S)nnc(CCC(=O)O)c2=O)cc(Cl)c1OC 169883597 DIDNGUAEGRNASN-LSCVHKIXSA-N 412.855 1.887 30 10 HDEE C#CCN(C(=O)c1cccc(C)c1I)[C@@H]1CCS(=O)(=O)C1 221947009 NMLZWVNOLNAZKX-GFCCVEGCSA-N 417.268 1.862 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2cccc([N+](=O)[O-])c2)C1=O 254873578 DSAGRJAZFZSSCV-UHFFFAOYSA-N 413.375 1.761 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)c3cc(C#N)cn3C)cc2)C[C@H](C)O1 433496466 KTIUGQJMPQQQGL-KBPBESRZSA-N 402.476 1.947 30 10 HDEE CNC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 435954885 RMOUMVWRDKUJED-KDOFPFPSSA-N 414.487 1.219 30 10 HDEE Cn1cc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C(F)(F)F)n1 439179940 UYGGLSDKHJJBTQ-UHFFFAOYSA-N 415.397 1.561 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nn(CCC#N)c1C 439941084 IXGMMJCOLXVYFZ-FPAYPSAMSA-N 416.478 1.298 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnccc1C(F)(F)F 442746037 YBUAHXKSRYYLSI-NSHDSACASA-N 412.397 1.661 30 10 HDEE COCCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC2)CC1=O 461662496 VGGATYZLVLKRBC-SFHVURJKSA-N 424.505 1.538 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 484920304 QWUGXCOUIJIUQD-IFXJQAMLSA-N 415.471 1.531 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 489179926 QBWYPYJSMMPURB-QGTPRVQTSA-N 414.531 1.723 30 10 HDEE C[C@H](C(=O)N1CCN(Cc2cc(Br)ccc2F)CC1)n1cnc(C#N)n1 500818016 VAKKMMWFCAAERK-GFCCVEGCSA-N 421.274 1.957 30 10 HDEE Cc1noc(CN2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1 504836781 JJXJRAYUOQXHTA-UHFFFAOYSA-N 417.491 1.414 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507761094 UXXPHZKKSYQZFK-UWJYYQICSA-N 409.534 1.728 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 508678977 QVOYOVBEGLPXMG-SFHVURJKSA-N 407.478 1.751 30 10 HDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 531386793 SKTNJFUPDUDVJE-UHFFFAOYSA-N 414.443 1.542 30 10 HDEE COC(=O)C[C@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc(Br)cc1 540702304 RIMOOHFMBYWZKT-MFKMUULPSA-N 406.240 1.894 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 542451435 BYBQIVPNAUJVGG-NHCUHLMSSA-N 418.501 1.997 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CCCN(c2cccnn2)CC1 543221370 HVINWKWMHQXEJR-UHFFFAOYSA-N 424.461 1.051 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCCO2)CC1 549672001 BNLWZZPJAMWBQD-SFHVURJKSA-N 418.586 1.860 30 10 HDEE C=CCn1c(O)nnc1S(=O)(=O)CCC(=O)Nc1ccc(OC)c(Cl)c1 556411299 BNRLGJHCBDEBMT-UHFFFAOYSA-N 400.844 1.634 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCNCc2ccc(CN3CCOCC3)cc2)nc1 558273744 VCTMOXIHGBZHHI-UHFFFAOYSA-N 400.504 1.349 30 10 HDEE Cc1ccc(-n2ncc3c(=O)n(CCS(=O)(=O)c4ccc(C#N)cn4)cnc32)cc1 561856131 NTRDOJFYBGCOGB-UHFFFAOYSA-N 420.454 1.631 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 568653777 OZRACLHDDCJKDC-DLBZAZTESA-N 421.567 1.595 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nn(-c3ccc(F)cc3)cc2Br)CC1 572317141 OOXHALOPOUJLDB-UHFFFAOYSA-N 420.242 1.972 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 573845685 NNOYYOYBVKVFHM-HOTGVXAUSA-N 417.539 1.261 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)CC2)c1C#N 578104042 GOBRZRSZGYYVDS-KRWDZBQOSA-N 412.519 1.821 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cccnc1C(F)(F)F 581749427 SESVKDKGSVYJQL-UHFFFAOYSA-N 402.358 1.333 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCC(C(N)=O)CC2)c(F)c1 609255756 KUBILRZZNGFFKX-UHFFFAOYSA-N 423.448 1.654 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c(F)c1 610426310 TVAUBBDUWGHVDY-LJQANCHMSA-N 421.432 1.863 30 10 HDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 726788406 LKZPFYRPCPNUPH-UHFFFAOYSA-N 405.520 1.812 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1[C@@H](C)c1ccccc1 727417428 FFCLJEYAEFNSLK-HNNXBMFYSA-N 423.494 1.378 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CNC(=O)c2ccsc2)c1 727867902 ITPLBTKFUHTIHX-PGMHBOJBSA-N 420.516 1.929 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[C@H]1CCS(=O)(=O)C1 729332158 KVRNDKWMCKUWEO-HKUYNNGSSA-N 400.500 1.177 30 10 HDEE C#CCN(CC(=O)N1CCCN(Cc2ccc(C)cc2)CC1)[C@H]1CCS(=O)(=O)C1 731213698 OJGILJFAXWVIQX-NRFANRHFSA-N 417.575 1.152 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1[N+](=O)[O-] 732647897 MISROZNHMVQZST-MJGOQNOKSA-N 411.462 1.707 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(CC3CCCCC3)CC2)CC1 734274541 YIGKNPMGDWUDDR-UHFFFAOYSA-N 405.587 1.661 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)CC1 735861127 UYOPIXFSZFENAY-UHFFFAOYSA-N 416.450 1.135 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1/N=CC=CC1=O)NCCc1cccc2cccnc12 741345421 ZSVNKVKMARNWMQ-DQRAZIAOSA-N 422.441 1.353 30 10 HDEE Cn1ccnc1[C@@](O)(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(F)(F)F 751169309 HOSIHLNCBONMEZ-AWEZNQCLSA-N 406.361 1.549 30 10 HDEE CS(=O)(=O)[C@@H]1CC[C@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 752199746 KALXCQDBPCGCBQ-DZGCQCFKSA-N 400.478 1.001 30 10 HDEE CCS(=O)(=O)c1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 752394968 UYMONKHDLUGDFO-CQSZACIVSA-N 424.910 1.271 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](N3CCCC3)[C@H](SC)C2)cc1 758789118 DJZHCTNMQOLFLT-ZWKOTPCHSA-N 407.561 1.250 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(C)(=O)=O)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 759388655 LZDFBQCVELFSRO-CYBMUJFWSA-N 418.924 1.075 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CCN(c2cccc(C#N)n2)CC1 760685173 IJPZLHYGKQOEBE-HNNXBMFYSA-N 402.499 1.946 30 10 HDEE C#CCOc1ccc(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1 767435093 KIVXGKHBVAMFGL-INIZCTEOSA-N 410.492 1.965 30 10 HDEE Cc1cc(C)cc(C(=O)N2CCCC[C@@H]2C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 773364924 RGUWFCZRZMCHDD-ZBKJMMEJSA-N 424.501 1.941 30 10 HDEE CC(C)CN(C(=O)COC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 781397785 NHKWTHIQTXNGHQ-SFHVURJKSA-N 418.515 1.805 30 10 HDEE Cc1ccc(S(=O)(=O)NN=Cc2c(Br)cnn2C)cc1[N+](=O)[O-] 782112983 IIKDGPDHQSZYEH-UHFFFAOYSA-N 402.230 1.712 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 783010735 GCXSTDPIQONLCE-ZDUSSCGKSA-N 407.414 1.864 30 10 HDEE CC1(C)CCC[C@](O)(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 783769313 MUMMCKFQDIXJSN-HXUWFJFHSA-N 407.536 1.953 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)OCC(=O)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1 785299046 JELDQBOXXBLXLU-ZHALLVOQSA-N 423.462 1.994 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)c(=O)n(C)c1=O 787352451 LTEBXYMVNOMFMX-WEVVVXLNSA-N 421.457 1.319 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)n1 789002601 SKWAMXYEULMQTD-GOSISDBHSA-N 413.453 1.619 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2ccc(NC(=O)OC(C)(C)C)cn2)CC1 792032841 CYMUBUPEUAQCPA-UHFFFAOYSA-N 417.510 1.418 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2c(F)cccc2CC)c1=O 794646832 JLLQZDMHRIFYQV-UHFFFAOYSA-N 423.513 1.806 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 802476524 CZVQBJBCAAPIHN-RTBURBONSA-N 417.531 1.052 30 10 HDEE C#CCN(c1nnc(CSc2ccccc2OC)n1C)[C@@H]1CCS(=O)(=O)C1 809870839 QTAJXJUNPJYRJO-CQSZACIVSA-N 406.533 1.743 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 810515827 VWEPUIMUKRURSU-CJNGLKHVSA-N 418.473 1.590 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOC 812172861 OYIYBKVMRJKLFN-INIZCTEOSA-N 403.483 1.306 30 10 HDEE Cc1nc([C@@](C)(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C2CC2)no1 817631483 NZDVHTKWRKKCCC-SFHVURJKSA-N 403.464 1.248 30 10 HDEE Nn1c(NN=Cc2ccc(O)cc2O)nnc1SCC(=O)Nc1nccs1 1083895579 JCCMDEUVIYBJLL-UHFFFAOYSA-N 406.453 1.036 30 10 HDEE O=[N+]([O-])NC(=Nc1ccccc1)NN=CC=NNC(=Nc1ccccc1)N[N+](=O)[O-] 1083998310 BXGOPTVQIZJBBS-UHFFFAOYSA-N 412.370 1.075 30 10 HDEE COc1ccc(OC)c(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 1084501888 AADGNPMITIMUKE-UHFFFAOYSA-N 413.482 1.772 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nn1 1124739818 XRIBOJNMBFAQDH-UHFFFAOYSA-N 403.508 1.618 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(C#N)nc1 1125117202 UYXRYMXLROTKPF-UHFFFAOYSA-N 407.474 1.820 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc([N+](=O)[O-])c3Br)C[C@H]1CS(=O)(=O)C2 1134429079 NICSXWDLHCXHML-LKFCYVNXSA-N 414.237 1.368 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1136977744 PSQOIJZLWFAOJK-DYZYQPBXSA-N 421.251 1.194 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@H]1C[C@@H](C(N)=O)C1 1151154127 SKIZLEZNMWBJMP-VNHYZAJKSA-N 406.508 1.006 30 10 HDEE COc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1C#N 1152347697 FSCMLFSULKPOCV-HNNXBMFYSA-N 400.822 1.833 30 10 HDEE COc1ccc(F)cc1CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1155280547 GQGSBRJAZWDHLS-UHFFFAOYSA-N 405.451 1.622 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1)C(=O)OC(C)(C)C 1156708114 NDMXVZGMSZDFHZ-UHFFFAOYSA-N 400.435 1.860 30 10 HDEE C[C@@H](SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc2ccccc2[nH]1 1157884877 MLVWUWDOPNRFGO-FHSNZYRGSA-N 404.517 1.754 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(N)=O)[C@H](C)c2ccccc2)s1 1160008065 BZDNOQVKYOVNAB-FZKQIMNGSA-N 421.544 1.529 30 10 HDEE C#CC[C@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OC 1161364487 DJNFOMPDIDPOFY-INIZCTEOSA-N 402.447 1.050 30 10 HDEE Cc1csc(CC2(O)CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1166307318 JUZBMRZLQCXUCW-ZCXUNETKSA-N 404.492 1.264 30 10 HDEE C=CCS(=O)(=O)CCNCc1cc(Br)ccc1O[C@@H](C)C(=O)NC 1178286394 YYAWWFLGURJJDK-LBPRGKRZSA-N 419.341 1.653 30 10 HDEE Cc1ccc(NCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nc1 1178603363 OEXMUFCJLOOLMI-QGZVFWFLSA-N 406.446 1.695 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@H](c3ccnn3C)C2)cc1 1203390943 AFJJSEZSTIVPAE-SUMWQHHRSA-N 403.464 1.711 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 1213626049 DISZOWOBBHJVEQ-KRWDZBQOSA-N 405.524 1.855 30 10 HDEE Cn1cc([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(F)cc2)cn1 1234599424 RNRNSAQEZHRMDT-VDZJLULYSA-N 417.466 1.228 30 10 HDEE C#CCN(C(=O)N[C@@H](C)Cc1c(OC)cc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 1251214169 CBMRURQQSNHGOB-LSDHHAIUSA-N 424.519 1.475 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCN2CCCOCC2)CC1 1251494890 BMSZCZUCJYSGIT-UHFFFAOYSA-N 414.466 1.360 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1286394824 WYRPMTZKSCPQNZ-INIZCTEOSA-N 423.564 1.297 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccnc1OC 1286415080 HPNIKUXHHXVWSK-UHFFFAOYSA-N 420.498 1.794 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCSC1 1286418606 DPGOOKORDRGJIG-HXUWFJFHSA-N 403.552 1.527 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCc2cnn(C)n2)CC1 1286636946 OQFRJXOVWAKVJC-UHFFFAOYSA-N 407.482 1.843 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286672118 GSZBHFZXJWZGHC-IFXJQAMLSA-N 409.556 1.484 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1286725572 WADRJRAHZZHCEZ-MPQSDHOMSA-N 405.543 1.674 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1286785111 FHCXDIUGPVFPPL-AUSJPIAWSA-N 400.483 1.348 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC(=O)N(C)C[C@H]1C 1286786181 ZJITWXKDRGBACR-OAHLLOKOSA-N 421.505 1.406 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1286786446 SBDRQBPHFIOOFS-AWEZNQCLSA-N 422.411 1.585 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccc(-n4cncn4)nc3)n[nH]2)c1C 1290883653 HMAICDWBEGWEKQ-UHFFFAOYSA-N 403.450 1.982 30 10 HDEE COC[C@]1(C(=O)NCCNc2ncccc2C#N)CN(C(=O)OC(C)(C)C)CCO1 1292157334 GYOMFQYSGJSGBY-FQEVSTJZSA-N 419.482 1.134 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(O)(C(F)(F)F)CC3)C2=O)cc1 1295146272 JVVFMVRXZFBKPX-CQSZACIVSA-N 424.379 1.679 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nnn(C)n2)cc1 1300118514 AIUAFEDITRYEME-IBGZPJMESA-N 411.445 1.086 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300983914 SIGBIZOEUIXPFM-UHFFFAOYSA-N 410.482 1.453 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1301043978 AOGKGPWENJDFGR-HNNXBMFYSA-N 424.958 1.782 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1301175082 YCMQPPSUDLITSY-KRWDZBQOSA-N 411.510 1.803 30 10 HDEE COc1cc(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)cc(OC)c1OCC(N)=O 1301182637 QOJLFGZTQFLEAC-UHFFFAOYSA-N 424.457 1.854 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1301569272 USGLANRJIMEICZ-AWEZNQCLSA-N 410.500 1.272 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1301951501 AGKHBRADABQYMO-KRWDZBQOSA-N 416.574 1.136 30 10 HDEE C=C(C)C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1)C(=O)OC 1302429703 TWWGIEHXXLZTIV-AWEZNQCLSA-N 418.309 1.988 30 10 HDEE CC(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1302792091 DZJFVFIMAQOLIV-QSFXBCCZSA-N 404.490 1.904 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 1303130168 HSAAQPGAOFUOBA-UHFFFAOYSA-N 400.460 1.134 30 10 HDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O)OC 1305817073 DNZHPHGGJKFTDA-MRXNPFEDSA-N 406.512 1.227 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1306245197 GLUMNWFFQBJTOR-MRXNPFEDSA-N 409.494 1.304 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)OC 1309762304 SKYGGRPTYNZSHL-CYBMUJFWSA-N 408.398 1.765 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1314814219 BWQLVSYMDKFQCV-KRWDZBQOSA-N 417.473 1.832 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CCC1(O)CCOCC1 1316273818 RFPHJUKIZGGDBS-IKGGRYGDSA-N 407.515 1.672 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2cccc([C@@]3(C)NC(=O)NC3=O)c2)n1 1322285594 DDYTZJJSJGSLKW-OAQYLSRUSA-N 408.462 1.303 30 10 HDEE Cc1nc(CN2CCC(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)oc1C 1323376382 GJHZACLZPMVQDH-MRCUWXFGSA-N 415.494 1.536 30 10 HDEE C[C@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1354825889 WJILIPTWYBOKKL-GFCCVEGCSA-N 400.298 1.832 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 1358896742 LEDSBPZRKPTYBD-GOSISDBHSA-N 411.506 1.872 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1C[C@]1(O)CCOC1 1358943729 SPDFXTYAKHPZND-GOSISDBHSA-N 421.295 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CC[C@H](CO)O1 1358982575 BSPGCEHHIQYHMI-ZWKOTPCHSA-N 410.474 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1359020106 RKNAHWDMSLJUNY-IERDGZPVSA-N 400.479 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(CC)c2)CC1 1359032882 HMKYLJQPPZSIOR-UHFFFAOYSA-N 400.490 1.837 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cnn(C)c2)CC1 1359046585 XVTHRHBOUISQQS-UHFFFAOYSA-N 423.546 1.678 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359151395 SMTBSDRWNNCRMF-ILXRZTDVSA-N 400.932 1.938 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCCS2(=O)=O)CC1 1359163464 FXISIBQTQBHLIF-UHFFFAOYSA-N 402.524 1.840 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@@H](C(N)=O)C1 1359223938 APGYITCYAMFGOT-MRXNPFEDSA-N 413.478 1.968 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2cnccn2)CC1 1359298982 QRTJRMWTNIHKCT-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1360487783 RQJZIDFDALLFLD-QAPCUYQASA-N 412.494 1.712 30 10 HDEE COC(=O)[C@]12CCC[C@H]1CN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1438936604 RRFONSBOUFOPLC-JIGPKXGUSA-N 424.457 1.565 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1439200482 QUULOGXMXVNMJP-PMPSAXMXSA-N 416.540 1.508 30 10 HDEE N#CC1(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCOCC1 1440613011 ORAJFXNHUXYNON-UHFFFAOYSA-N 407.492 1.034 30 10 HDEE COCCNc1nc(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cs1 1443085215 CKSZRALQSLCHQK-UHFFFAOYSA-N 400.508 1.796 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3cc(O)ncc3Br)C2=O)cc1 1448832722 AYWPPLIRNNZFOU-OAHLLOKOSA-N 415.247 1.952 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccccc3Cn3ccnn3)C2=O)cc1 1448853739 YOVBEZSESASRFL-HXUWFJFHSA-N 400.442 1.729 30 10 HDEE Cn1ccnc1[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(C)(C)CO 1452451827 XBFPFHBGUJJGPQ-INIZCTEOSA-N 419.507 1.102 30 10 HDEE CCOC(=O)[C@@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](O)c1cccnc1 1454673975 SJWXJYAMTOVTKK-PMACEKPBSA-N 413.478 1.523 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1457036077 ZZNRISCKRXIGDL-QZTJIDSGSA-N 406.504 1.446 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CCN(C)C)C(=O)C1 1460340796 UXFHDMFHJVMZLE-QGZVFWFLSA-N 401.511 1.036 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)cc1 1463092994 QTJLSASJAWESEI-FQEVSTJZSA-N 421.519 1.627 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCc3cc(C#N)ccc32)cc1 1468910433 HCRTURQBJRQESI-UHFFFAOYSA-N 412.471 1.774 30 10 HDEE C=C[C@@H](C)ONC(=O)NC[C@@H](O)COc1ccc(I)cc1 1470680520 WJQIEOSKXYEMLR-ZYHUDNBSSA-N 406.220 1.836 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(C(=O)OCC)c2ccccc2)cc1 1471933817 UXKYOYLCSZOOAM-NRFANRHFSA-N 414.483 1.806 30 10 HDEE COC(=O)c1ccc(N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)c(C#N)n1 1472862436 NDYFGWLCYTZEAC-JOCHJYFZSA-N 406.442 1.748 30 10 HDEE C#CC1(F)CN(C(=O)NCCCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1477845837 YDPBPLOZBWOXHB-UHFFFAOYSA-N 403.454 1.735 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@H]1C2 1478284545 JNPWIWWIUGHGDU-SOUVJXGZSA-N 401.529 1.674 30 10 HDEE C#CCN(C(=O)N[C@@H](C#C)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 1478896528 OSDJFFVMGDNOSB-HOTGVXAUSA-N 409.305 1.955 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCO[C@@H]1CCOC1 1492911317 FVEDFVZWLQJKNI-NVXWUHKLSA-N 412.498 1.159 30 10 HDEE CCc1nc(CN(C)c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1498376867 WAQUDJLGFGKIND-MSUUIHNZSA-N 401.496 1.768 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1([S@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1507631278 NSDLWDAUWSCEMX-HAWMADMCSA-N 410.565 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1Cc1nncn1CC 1507657189 OLJAVQGGUNQABS-UHFFFAOYSA-N 403.490 1.804 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC)n1 1507716056 GEXFURPUIKHGRR-INIZCTEOSA-N 420.539 1.073 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)NCCCOC)CC1 1507793872 CDRVENFHEFBEKA-RBUKOAKNSA-N 405.543 1.937 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1507839674 HAVZPAHOCRHAFY-UHFFFAOYSA-N 422.507 1.747 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NCCCC)CC1 1508059184 PPAQOUHKIWXVCZ-INIZCTEOSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](C)OC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098826 RXXAXCKUQWINAD-IIBYNOLFSA-N 421.542 1.625 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COC)C1 1508163646 WEAHAJPDPCUEPB-HUUCEWRRSA-N 400.570 1.572 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1508168872 UZFYPATTYLUEJX-MRXNPFEDSA-N 409.556 1.561 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1COCCO1 1508579926 DAIQZZZOCYAPRF-MRXNPFEDSA-N 412.494 1.817 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1517635897 CRCRPPCPMNGKTI-INIZCTEOSA-N 406.450 1.383 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1525981800 RFGXUAKNOUTMIB-GLJUWKHASA-N 422.279 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N(C3CCN(C(=O)[C@@H]4C[C@@H]4C#N)CC3)[C@@H]2C1 1532572927 DNRQXUHWCUGMCZ-MIGQKNRLSA-N 404.467 1.577 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CCOCC1 1535309839 LZFKLUYZQDWZGG-UHFFFAOYSA-N 409.508 1.381 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)N1CCOCC1 1539174775 LWYCMPIVHJGBDJ-UHFFFAOYSA-N 421.505 1.774 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1539237248 BMZFOTGSLKQCIF-NQIIRXRSSA-N 414.506 1.546 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1539264021 VHCIQRMRHHOHCE-KDDVOAFDSA-N 408.462 1.119 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cc(N3CCOCC3)ncn2)CC1 1539380068 XJJXOGIPWYHQQG-IBGZPJMESA-N 410.453 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCO[C@H]2C)CC1 1539441814 VWGJIDKJXBYTRZ-HRAATJIYSA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2CCN(C(C)=O)CC2)CC1 1539444175 ICVGQRPHINREHJ-UHFFFAOYSA-N 407.522 1.354 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)NC(C)C)CC1 1539480957 HOOZFDMFPOBUHM-UHFFFAOYSA-N 400.527 1.426 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1cc(S(N)(=O)=O)c(Cl)o1 1544588027 UGRYFEHFQVKEKZ-UHFFFAOYSA-N 410.883 1.656 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1545122766 AHZTWFYEUNYNFS-MRXNPFEDSA-N 423.521 1.239 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1547245834 DJALJSNHSQOBAW-OALUTQOASA-N 408.478 1.288 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2cncn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367942 XVSUJEDMIDWSMP-INIZCTEOSA-N 420.395 1.388 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCS(=O)(=O)C1)[C@H]1CCOC1 1552903136 YCVUHJLHWYBJAE-WMZOPIPTSA-N 415.519 1.867 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 1557985333 HQVHGAAZZJYGPH-AOIWGVFYSA-N 400.523 1.792 30 10 HDEE C=CCONC(=O)N1CCN(C(=O)c2ccccc2I)CC1 1564763793 PDYLCPVJRGAIEV-UHFFFAOYSA-N 415.231 1.876 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C[C@@H]3CCCS3(=O)=O)c(C#N)c2N)cc1 1566186915 UTYJIPKPFSEFNZ-INIZCTEOSA-N 415.519 1.651 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c[nH]c(C(=O)N3CCCC3)c2)c1 1567308706 XXYCLMFMJQKJFI-UHFFFAOYSA-N 400.460 1.415 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)c2[nH]n(-c3nc(C)cc(C)n3)c(=O)c2CCO)cc1 1569887957 LVWNYNFFMBPEDW-SFHVURJKSA-N 420.473 1.664 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(S(C)(=O)=O)c(Cl)cc2Cl)CC1 1585924994 NJFMWRDJEAYJDI-UHFFFAOYSA-N 417.314 1.999 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)CC1 1587299851 BOXOUFMCIDBBFQ-HNNXBMFYSA-N 413.430 1.325 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1588139033 CEXQVXYTKPZCHA-GJZGRUSLSA-N 420.514 1.833 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1588765024 DHQUQLIWEUUWQG-UHFFFAOYSA-N 417.510 1.841 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCO[C@@H]2C(C)C)CC1 1588969258 ZDGAMXUAMQFIIT-AZUAARDMSA-N 417.554 1.842 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1589088843 KNECPDUNMAJAFP-HZPDHXFCSA-N 421.592 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC(N2CCNC2=O)CC1 1589567155 AWEIFDNMEJUAHL-LPHOPBHVSA-N 418.542 1.790 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1594912935 AAFBAUSUNACFOE-MRXNPFEDSA-N 409.498 1.264 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1597825566 GNOPCOIRDGERII-SFHVURJKSA-N 407.478 1.690 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCc1cnn(C)n1 1602685193 ILBUPNSNXJIPED-UHFFFAOYSA-N 407.482 1.698 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1603409561 BKPHTAAVTRCLNY-LLVKDONJSA-N 402.208 1.418 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)Cc2ccc(Br)cc2C#N)CC1 1616508690 XUHUPYZDOMEXQJ-UHFFFAOYSA-N 400.298 1.403 30 10 HDEE C[C@]12CN(C(=O)COc3ccc(C#N)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1618375104 XUCJJWVLQKLSSH-BLLLJJGKSA-N 413.293 1.593 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1620134306 NQIQQKDUMNDQAV-CEXWTWQISA-N 413.478 1.494 30 10 HDEE C#CC[C@@H](COC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1623660008 XTCJEWLEVKRFGY-YOEHRIQHSA-N 409.464 1.293 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@H](C#N)c1ccc(Br)cc1 1624137067 BTLNJTINVGVHDT-GFCCVEGCSA-N 409.265 1.946 30 10 HDEE C=CCC1(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CCOCC1 1626313756 UGDDUTFBSDAKHX-UHFFFAOYSA-N 400.472 1.683 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1(O)CCN(Cc2ccccc2)CC1 1626618352 RPOKXPYTNNETHB-QZQOTICOSA-N 412.490 1.046 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(CNC(=O)C4CCCC4)cc3)C[C@H]1CS(=O)(=O)C2 1627136703 MYGNYMOLIMEZRZ-GHTZIAJQSA-N 415.515 1.503 30 10 HDEE C#CCOc1ccccc1CNC(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1628086897 VXRSZQJBWZUHCY-UHFFFAOYSA-N 421.457 1.049 30 10 HDEE Cc1ccnc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1632752451 UPXRXJQJLPYHCQ-UHFFFAOYSA-N 404.423 1.537 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1 1632961018 SCVGNVCZRWZKRN-UHFFFAOYSA-N 407.439 1.524 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC1(S(=O)(=O)N(C)C)CC1 1634914497 JRHSZCQRVCEBPB-UHFFFAOYSA-N 404.492 1.591 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1 1635810906 XIRMUGTXTZFVDU-SFHVURJKSA-N 413.861 1.642 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1CC2(CCOCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1635877580 GTUYHGZRLVLRDJ-CABCVRRESA-N 421.519 1.206 30 10 HDEE CCNS(=O)(=O)c1cccc(CNC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1636023745 PEROVQKMGSBCRF-IBGZPJMESA-N 416.503 1.731 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1 1636031189 RGFZIDDVJSPERX-MSOLQXFVSA-N 409.529 1.665 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCCc1c(F)cc(O)cc1F 1638644067 YROJIWNTZGEMNF-LBPRGKRZSA-N 402.405 1.795 30 10 HDEE Cc1cc(C(=O)NCc2cn(C(C)(C)C)c(=O)nc2O)nn1-c1cccc(C#N)c1 1644347968 PCMDPQZIHTWWQW-UHFFFAOYSA-N 406.446 2.000 30 10 HDEE CN(C)CCN1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1=O 1644373414 MESUPUMRYAWSHL-UHFFFAOYSA-N 406.490 1.411 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1645088370 VGGUBPNPFHMWOK-MAUKXSAKSA-N 405.524 1.463 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)c1 1645090761 CLLFIGZKMHAKRF-SFHVURJKSA-N 405.516 1.877 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1 1646135025 DOFGBMCQBLLLRE-KRWDZBQOSA-N 406.504 1.437 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1B1OC(C)(C)C(C)(C)O1 1646488702 MPCPABQZNZIDSQ-WOJBJXKFSA-N 414.355 1.965 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)c1 1647785235 DRWNIJWTTLPJSS-DNVCBOLYSA-N 400.456 1.070 30 10 HDEE C#CCN(C(=O)Cn1c(C)cc(C)nc1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1651973069 CCWUVIKLZZFPII-UHFFFAOYSA-N 402.495 1.721 30 10 HDEE C=CCS(=O)(=O)CCNCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 1656990627 VGRJTFCNIKQJLK-HNNXBMFYSA-N 413.544 1.541 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2F)n1 1663144256 BMEFSYWZSMOOCJ-UHFFFAOYSA-N 410.427 1.709 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1664345201 MHAMPSWILCEKEG-HRCADAONSA-N 414.549 1.016 30 10 HDEE COCCn1nnc2c1CCN(C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1)C2 1668816509 HSYRHFWDESWXKB-ZDUSSCGKSA-N 418.479 1.200 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3cc(OC)ccc3c2)CC1 1669836533 HAIOUIOOQRWCCF-UHFFFAOYSA-N 402.476 1.466 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CC1 1671140001 MHCFZGIEXBWUNT-UHFFFAOYSA-N 414.549 1.256 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)C2(CNC(=O)OC(C)(C)C)CCOCC2)C1 1676035689 VBDDSYKALYGZRU-KRWDZBQOSA-N 408.543 1.799 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 1677029153 CTWNBPQUCXOQRT-SFHVURJKSA-N 420.579 1.862 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccco3)nn2C(C)C)CC1 1677035426 KPUZUTQKPXOOAW-UHFFFAOYSA-N 420.495 1.341 30 10 HDEE CC1CCN(C2CCC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2)CC1 1679354099 CPHHCTUKZQCKSF-NNZWXOEDSA-N 408.568 1.609 30 10 HDEE CC(C)[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@H](O)C(F)(F)F 1681225937 AAQRIXKGIXTSLR-NDBYEHHHSA-N 408.421 1.992 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1cccc(C(=O)N3CCOCC3)c1)C2 1681696269 JBERDEKBFGUIGV-NRFANRHFSA-N 404.470 1.997 30 10 HDEE C[C@@H]1O[C@H](C)C[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1682087499 AIQURAXGCNELFB-VYDXJSESSA-N 406.508 1.388 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCC(C#N)(c2ccccn2)CC1)C(=O)N1CCOCC1 1682244162 SRCPZSCKEWGCQP-SFHVURJKSA-N 413.522 1.922 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)nn1 1683315384 PGOAUSMPYKPNGR-SFHVURJKSA-N 414.466 1.428 30 10 HDEE C=CCn1cc(CNC(=O)N(Cc2cc(C)c(C)c(S(N)(=O)=O)c2)C2CC2)nn1 1683315611 XIEGODJJFYRWFS-UHFFFAOYSA-N 418.523 1.603 30 10 HDEE O=C(NCc1ccccc1)[C@H](c1ccccc1)N1CCN(C(=O)NCC#CCO)CC1 1684876623 GPBFZTFBSUWBPM-QFIPXVFZSA-N 420.513 1.367 30 10 HDEE CN(CC(C)(C)C#N)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685226738 DOHLRGMXVBFJEA-AWEZNQCLSA-N 416.544 1.602 30 10 HDEE N#C[C@H]1CN(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CCN1Cc1ccccc1 1685470341 LVCWJDVVSUUNIZ-HRVKUGKESA-N 402.520 1.514 30 10 HDEE CC(C)(C)C#CC(=O)N1CC[C@@]2(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)CCC[C@@H]12 1685922165 DCLPTQINAFPWPV-SJWLEXSCSA-N 402.535 1.975 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc2c(=O)cc[nH]c2c1 1686716518 ZQWPBHRAUMUHJB-AWEZNQCLSA-N 403.446 1.610 30 10 HDEE N#CC1(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CCOCC1 1687829860 HXKKXMSGKKXESH-SWLSCSKDSA-N 409.430 1.458 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1689843649 ZOAAMGODUZVJTG-AWEZNQCLSA-N 416.503 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCc1ccc(S(N)(=O)=O)cc1 1689845246 TVNUVCNYBFPBFF-HNNXBMFYSA-N 412.519 1.632 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1689873499 LPRDDULJMHLEPU-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(CO)CC1 1689916246 DOPGQVCZPPNNFD-UHFFFAOYSA-N 402.520 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1CCCN1CCN(c2ccncc2)CC1 1690048096 BZTSDLWMWURYQF-UHFFFAOYSA-N 405.550 1.911 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2csc(COC)n2)CC1 1690128958 MRGWDAJACBGBQO-UHFFFAOYSA-N 423.546 1.670 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2)C1 1690170989 UADQLYQSRQEDAZ-IRXDYDNUSA-N 402.568 1.660 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690436438 RNTZWUKTLVPMMC-HNNXBMFYSA-N 409.556 1.626 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690481724 NOHFXRWGDLISEJ-ZDUSSCGKSA-N 409.512 1.841 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1696585166 VALNDPRJGJYPOG-UHFFFAOYSA-N 407.478 1.106 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCOC1=O 1698136222 VESAUVFKWMOLRN-KDOFPFPSSA-N 410.450 1.286 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCSC1 1705678842 QXTVKSUAIJNJNY-FEHORTKBSA-N 406.552 1.862 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)CN2CCOCC2)CC1 1705769541 VSUXDVCJYYJKIL-QZTJIDSGSA-N 423.583 1.305 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1705840962 JDHBYOWEJQRFCR-UHFFFAOYSA-N 421.505 1.823 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1706633289 ACDJLSDFXFIIEI-HNNXBMFYSA-N 409.494 1.398 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1711316955 UTHWDHMJUJDBIB-UZLBHIALSA-N 400.458 1.764 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1711520885 GGTRZOPKCDDAJI-WBVHZDCISA-N 410.478 1.575 30 10 HDEE COc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1OC 1711930022 FJBQPKKJPHDHLW-HUUCEWRRSA-N 412.450 1.023 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1712181940 BESILOPMVNTCNF-GOEBONIOSA-N 416.457 1.380 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1712459781 TXSSFMIXBOFZCE-QKLQHJQFSA-N 405.499 1.834 30 10 HDEE COCCN1C[C@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1712471201 BBMKZSFMCRQZOV-QRWLVFNGSA-N 406.506 1.804 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccccc1 1722276677 JIHIEUZIHVFSAO-HOTGVXAUSA-N 405.524 1.815 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(cccc2OC)C1 1722323916 JGAKNSPMXWAPSH-HNNXBMFYSA-N 417.535 1.873 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1722371751 XYBVIBAFFCBNNG-ULQDDVLXSA-N 410.540 1.285 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@]2(C)CN(C)C2=O)CC1 1722435808 UDLXJNOVQFQHFW-OAQYLSRUSA-N 412.925 1.832 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@H]2C)CC1 1722436096 WODRNVOZGJONEG-LJQANCHMSA-N 424.549 1.430 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722613612 KBHVVOLWMBVABG-UHFFFAOYSA-N 420.525 1.885 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1722673914 JHYOSZZFXZFEEN-HXUWFJFHSA-N 422.599 1.590 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1CCCCO1 1722727350 KUAGISSCLBDPJX-INIZCTEOSA-N 408.528 1.285 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCS(=O)(=O)CC2CC2)o1 1724321755 GFWPHLFEDOSSEC-HNNXBMFYSA-N 405.480 1.400 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCOC[C@H]2C)CC1=O 1730780354 CNCNLDKBBWVLJS-AEFFLSMTSA-N 424.505 1.537 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1730924243 UBBHXAOFPHMNRF-OAHLLOKOSA-N 401.423 1.066 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(C)(C)O 1740637003 LWEZOOQJPYAZBE-UHFFFAOYSA-N 400.508 1.082 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCOC1 1740689004 XWMXBGQWXCNVMO-FQEVSTJZSA-N 404.442 1.234 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)CC1 1740762571 UXUHGQJHOJPINU-HBFSDRIKSA-N 416.570 1.988 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N(C)CC(=O)N1CCOCC1 1740763739 PKEADGBTTIBWCV-YLJYHZDGSA-N 403.527 1.507 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1740781932 MBTYQRFOOUCOQJ-CHWSQXEVSA-N 409.512 1.840 30 10 HDEE C=CCN(CC=C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1C 1740932316 LOFYFLXIRJKRKL-UHFFFAOYSA-N 420.525 1.807 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H]1CSC 1740958548 DIZYWNUOESFHGF-CYBMUJFWSA-N 418.523 1.640 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1740959875 GJNILLQGUJBAQL-ROUUACIJSA-N 403.527 1.870 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1740963651 SEIHVPWVBYFRDO-OAQYLSRUSA-N 412.494 1.169 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC(=O)NC2CC2)C1 1740978847 DBSUZDZROCOPST-HOTGVXAUSA-N 402.499 1.069 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N(CC)C[C@@H]1CCCO1 1740989403 MDXGEDWAAFVGIH-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740995103 AAQIYVFXLJKUGR-HNNXBMFYSA-N 421.571 1.376 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1742223560 ICSIABVYFZBZKC-DOTOQJQBSA-N 418.523 1.282 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2C[C@@H]3OCO[C@@H]3C2)n1Cc1ccc(C#N)o1 1744107039 AUCSXBIGUKCOLS-IYBDPMFKSA-N 400.439 1.271 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1746353382 DUQUBCSULDYPEO-NRFANRHFSA-N 404.478 1.783 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1746487205 OVUIJEOHNWPKBQ-HNNXBMFYSA-N 402.524 1.821 30 10 HDEE Cn1cc(-c2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cn1 1748011198 QCHIAUNUGCQIJE-VLGSPTGOSA-N 410.482 1.584 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCN(CC)C1 1748785104 YHYDNFUHEVPQEX-MRXNPFEDSA-N 415.567 1.649 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(N(C)C)nc1 1748855590 DGOPCFCQGYFQNQ-UHFFFAOYSA-N 402.506 1.722 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1748858989 OKIGQJSOZVZVFN-MRXNPFEDSA-N 415.494 1.496 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)c1 1748932995 DPORMCHYJFWQCT-IBGZPJMESA-N 424.505 1.989 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)Nc1ccccc1 1748960372 JEBJPXVSAYEYIF-KRWDZBQOSA-N 410.478 1.344 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(COC)CCOCC2)CC1 1748991236 UEJXXIFLGJIIEJ-IBGZPJMESA-N 417.554 1.371 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)N(C)C)CC1 1749010709 VRWCLFHFHQTMNX-UHFFFAOYSA-N 400.527 1.380 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)C(C)C)CC1 1749016681 KQGOLEYHKBBMGX-HSZRJFAPSA-N 424.549 1.637 30 10 HDEE C=C(C)COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1749240328 WJJDHFXFUXNBQX-QGZVFWFLSA-N 424.505 1.988 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(C(C)=O)CC1 1749461445 AMFYPFYKPHPOCE-OALUTQOASA-N 421.542 1.653 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1OC 1749487974 HKFGWZNXCLILHW-OAHLLOKOSA-N 406.508 1.868 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1749595833 KPJPRTCVXSJSND-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ncn(C)n2)C1 1749701551 WHBZPGIYCHOPNE-CQSZACIVSA-N 400.874 1.952 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCCS2(=O)=O)C1 1749705563 JIYCPLZQISRVPM-CVEARBPZSA-N 418.523 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCCC 1749735415 RZLFTEFICQKBAI-AWEZNQCLSA-N 404.558 1.017 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCSC2)CC1 1749850622 BPAGIOUPQHEQTH-FQEVSTJZSA-N 412.519 1.353 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(C#N)o1 1749932036 NDVNKFQKHUDYGW-KBPBESRZSA-N 402.455 1.182 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCc2cnn(C)n2)CCOC1 1751006375 GMHDQJKLTNANEN-JXFKEZNVSA-N 416.530 1.818 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1751091410 HSWMYGIDSNACBA-CJNGLKHVSA-N 406.450 1.543 30 10 HDEE Cc1csc(CCCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)n1 1751746002 PXSKWHAGWMARFG-HUUCEWRRSA-N 415.523 1.746 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1760144297 KRXMLKOKCOZQER-UHFFFAOYSA-N 401.515 1.214 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1760187750 FTMLADGVWVFEBG-INIZCTEOSA-N 414.535 1.942 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760188319 OKMQFQCQCHUIIB-MRXNPFEDSA-N 403.508 1.907 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1760190185 TZZSDSCLQUVPMZ-RYRKJORJSA-N 416.551 1.742 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1cn(C2COC2)nn1 1760239057 UYLKHSPAWIAEMG-QZTJIDSGSA-N 413.526 1.867 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C(C)C)N1CCCC1 1760243879 SZTLEUHASQBIRO-IBGZPJMESA-N 416.570 1.721 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 1760525162 WQVSEJNRAUGROL-OAHLLOKOSA-N 406.531 1.978 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1 1760528202 VPSFPOIDDZOSQH-INIZCTEOSA-N 415.494 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1760556615 KDTVXBHTZWICLO-SJLPKXTDSA-N 419.551 1.726 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760564990 LKVHFQZJEZOUME-OXQOHEQNSA-N 420.583 1.449 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1769585566 BJBIDMUOLAKBLG-AWEZNQCLSA-N 408.466 1.684 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1769845067 GNPMWRVDYVLQIO-CVEARBPZSA-N 411.528 1.116 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCC[C@@H]1C 1770201654 BAKKLOBXTKRTQP-OGNFBWPZSA-N 406.506 1.928 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1771531825 FEQMPGNQTGTOFO-HUUCEWRRSA-N 402.405 1.553 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1 1849702901 CFGNOTGKHVRJAS-HNNXBMFYSA-N 420.473 1.447 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(c2ccc(-c3nc(C)no3)cn2)C1)[C@@H]1CCN(C)C1=O 1850971428 CKPRKIGUWBFBPU-QZTJIDSGSA-N 424.505 1.902 30 10 HDEE Cc1c(CN(C(=O)c2ccccc2OCC#N)[C@]2(C)CCS(=O)(=O)C2)cnn1C 1853587922 VXVWLPPREHOAMF-HXUWFJFHSA-N 416.503 1.851 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1 1853750070 FJEOEVALGHNGIA-HXUWFJFHSA-N 402.454 1.757 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)Cc3nc(C(C)C)no3)CC2=O)CC1=O 1854127497 GXDKLVAMKHGNDC-GJZGRUSLSA-N 403.483 1.034 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(C[C@H]2CN(C(C)=O)CCO2)C2(CCCC2)C1=O 1854211359 VCYBSOFFWZGKTA-IEBWSBKVSA-N 405.539 1.820 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1854828211 QSJYQHLKQORIKC-DOTOQJQBSA-N 416.547 1.752 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@@H]2COc3ccccc32)CO1 1855929477 YOFTVVSXNQUWPX-GOEBONIOSA-N 400.412 1.582 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2=O)CC1 1856509609 CUSIFERQVKWVAV-IEBWSBKVSA-N 401.511 1.878 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C[C@H]2CCCCO2)C1=O 1857038212 RXIQUQURESSMRV-HUUCEWRRSA-N 405.476 1.815 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn(C(C)C)c2)C1)[C@@H]1CCN(C)C1=O 1857053762 VJTKRLHSGCQMPZ-SJLPKXTDSA-N 401.511 1.562 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1[C@@H]1CCN(C2CC2)C1=O 1857078165 YLVSLCFRQPCUIM-LJQANCHMSA-N 408.502 1.704 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)C[C@H]2CCCC2(C)C)C1=O 1857144239 PADKEYNUJBAEAF-QAPCUYQASA-N 410.522 1.813 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CC(c4nnc5ccccn45)C3)C2=O)cc1C#N 1857150059 NWXHINRCXOUJTF-SFHVURJKSA-N 400.442 1.750 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(=O)o3)C2)CC1 1857248886 DCNSCGCZQPRIEY-OAHLLOKOSA-N 406.442 1.775 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CSc2ccncc2)C1)[C@@H]1CCN(C)C1=O 1857263595 HNGGLYLRCOXFFJ-DOTOQJQBSA-N 402.520 1.268 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@@H](NC(=O)c4cccc(C#N)c4)C3)ccc21 1858329817 NJTQOMIPIUZUAR-QGZVFWFLSA-N 424.482 1.270 30 10 HDEE COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C(O)C(=O)N2CCO)cc1O 1862754434 LTMRMFWLNAUPMC-QGZVFWFLSA-N 414.370 1.880 30 10 HDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(O)CC1 1870349983 LFQZVXFTAROCEV-UHFFFAOYSA-N 424.501 1.392 30 10 HDEE C=CCn1cc(OCC(=O)NCC)c(=O)cc1CN1CCN(c2ccccn2)CC1 1870528437 FBMYVYSBCGSZHK-UHFFFAOYSA-N 411.506 1.266 30 10 HDEE C=CCn1c(C(=O)NCCOCCO)cc2c(N3CCc4ccccc4C3)ncnc21 1873594932 IMSDEXUJPZQGBA-UHFFFAOYSA-N 421.501 1.919 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)CC1 1890120204 RYDJGLMAJNETBQ-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE CN(C1CN(c2ccc3nnc(C4CCC4)n3n2)C1)S(=O)(=O)c1ccc(C#N)cc1 1890245912 NTMUJNFDIWMYEM-UHFFFAOYSA-N 423.502 1.773 30 10 HDEE CCn1nc(C)c(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)c1C 1891637511 VFHXOSLUJFJWMS-UHFFFAOYSA-N 404.496 1.661 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010397631 SQUPOWSJRSQHNU-CYBMUJFWSA-N 418.303 1.971 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2060560064 YLYDUXGNJFAFSA-NSHDSACASA-N 414.304 1.843 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2188400495 ZTPBRZVSIBCZNE-LSDHHAIUSA-N 400.541 1.965 30 10 HDEE C=CC1(NS(=O)(=O)c2cc(N)c(OC)c(F)c2)CN(C(=O)OC(C)(C)C)C1 2196128988 DEEIFMPRFOLHSS-UHFFFAOYSA-N 401.460 1.870 30 10 HDEE C#C[C@H](CO)NC(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)OC(C)(C)C 2221672942 IIWPLIFIZMTQJC-CABCVRRESA-N 411.296 1.995 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2241810029 YCHPXPYWGWHUGB-ORAYPTAESA-N 401.504 1.848 30 10 HDEE Cn1cc(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2243423662 CSVCHZNOYZSLED-VXGBXAGGSA-N 406.292 1.115 30 10 HDEE C#CCN(Cc1ccccc1)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2243425914 CSAVVZFRRWNRBG-UHFFFAOYSA-N 415.324 1.543 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243702231 MGGHCGLXSAHUAX-LSDHHAIUSA-N 408.304 1.810 30 10 HDEE Cn1ncc(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247778686 GKFCAKJBGKZYFU-UONOGXRCSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N[C@@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247826852 APBCJXZRVPCXLU-FKIZINRSSA-N 418.303 1.448 30 10 HDEE Cc1nn(C)c(C(=O)N[C@@H](C)CNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247917840 LLSBIJUQBMKPDY-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C1(O)CCC1 2250000571 KNNWTTNDPLGBEX-HNNXBMFYSA-N 422.331 1.936 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3C[C@H]4C[C@H]3CN4Cc3ccccc3)nc2)OC1(C)C 2255812348 WMAKUQPDPARWNC-MOPGFXCFSA-N 420.322 1.875 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)c1csnn1 2267370048 GEEOWSVJBPBYOO-VIFPVBQESA-N 401.344 1.938 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281968924 GXSMIKCNEIZYGA-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CCn1cc(C(=O)N2CCC[C@@H](C3OCCO3)C2)nc1B1OC(C)(C)C(C)(C)O1 2282035467 VXISGASUIBWGJO-CQSZACIVSA-N 405.304 1.427 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](N)C(F)(F)F 2282314996 IDBBGPARMZXJFF-JTQLQIEISA-N 414.280 1.524 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282331120 JTEMUIVFPQKLIJ-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@]3(=O)CC[C@H](CN)C3)c2)OC1(C)C 2282343710 HETJMWVKCXLCTJ-SSINHNECSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H]2CCO)OC1(C)C 2282495259 KAIQIXISPFHCQW-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@]2(C)CCCO2)OC1(C)C 2282834809 NIGOPHNXNJUEQR-INIZCTEOSA-N 402.347 1.431 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)CC3CNC3)s2)OC1(C)C 2282858060 RGKDCPXFXDBACT-RUZDIDTESA-N 420.387 1.053 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2COCCO2)OC1(C)C 2282861922 WCPNRFVQRANHSD-LBPRGKRZSA-N 403.331 1.131 30 10 HDEE CN(C)[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869406 CHHWVIMHRNWWNS-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE CSC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404379 XNQYNRKZBMNVRQ-LLVKDONJSA-N 421.371 1.283 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3COC[C@H]3C(=O)O)c2Cl)OC1(C)C 2284455345 JKAQFZMJVICTOX-SCZZXKLOSA-N 401.677 1.530 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)N1CCC[C@@H](C2OCCO2)C1 2285201745 GJAUBBIRZMQLTN-OAHLLOKOSA-N 402.300 1.914 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H](C)OC2(CN(C(=O)OC(C)(C)C)C2)C1 2288590867 PQZOLRSODVMYIA-HUUCEWRRSA-N 401.529 1.822 30 10 HDEE NS(=O)(=O)c1ccc2[nH]c(=NC=C3C(=O)Oc4ccccc4C3=O)sc2c1 2296801413 GLSAAZCQGQLQTH-UHFFFAOYSA-N 401.425 1.463 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2316868065 UGXQBDIRCLDAEI-HNNXBMFYSA-N 405.476 1.397 30 10 HDEE COc1cc(OC)c([N+](=O)[O-])cc1C=NNS(=O)(=O)c1ccc2nc(O)oc2c1 2323437614 CGFCPKWBJBXESG-UHFFFAOYSA-N 422.375 1.771 30 10 HDEE COc1ccc(C=Nn2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1O 2329056304 DEPLJKSBVSZBPL-AWEZNQCLSA-N 419.507 1.683 30 10 HDEE CCCN[C@H](C#Cc1nccs1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363528344 ROOOLLKMGMPZNG-CABCVRRESA-N 413.565 1.897 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367787319 KPVVKMXJZYNOCX-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@@H](C)N1C(=O)OC(C)(C)C 2367794137 YQPGPUPTZMYOLH-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE COCC1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)CC1 2367799256 ZIAXASPOZKZMKI-HNNXBMFYSA-N 400.541 1.558 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOC[C@@H]1C[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367803286 JNMSRCWCROPIRA-ARFHVFGLSA-N 401.525 1.638 30 10 HDEE C=CC1(N[C@]2(C(=O)O)CCC[C@@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377250262 ZMKXLOZSQQENPB-FZKQIMNGSA-N 402.513 1.562 30 10 HDEE C=CCc1c(O)nc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)[nH]c1=O 17918597 QRWRNIMKDDUFQI-GFCCVEGCSA-N 402.388 1.536 30 10 HDEE Cn1nc(CC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c2ccccc2c1=O 47460679 IHMBVMGCKSBQAA-UHFFFAOYSA-N 418.457 1.562 30 10 HDEE COc1cc(/C=N/Nc2nc(SCC(=O)OC(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59040105 KQTFRNKFXUYDDW-OMCISZLKSA-N 410.412 1.917 30 10 HDEE CCOC(=O)/C(C#N)=N/Nc1ccc(S(=O)(=O)Nc2nnc(CC)s2)cc1 59449512 GAWYNVOVPJDNGG-LDADJPATSA-N 408.465 1.756 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cn3)CC1)C2=O 117700306 FWFGDLRCLPQCDJ-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 219973168 BUFGAMZSXONBOK-LBPRGKRZSA-N 409.265 1.953 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cc1 428002164 VRINTPMDZVBDGF-YOTHAXIUSA-N 412.511 1.098 30 10 HDEE C=CCOC[C@H](NC(=O)c1c[nH]c2ccc(Br)cc2c1=O)C(=O)OC 435932521 BXCWCAVPYYIMFM-AWEZNQCLSA-N 409.236 1.765 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463007168 GNTMNXLURLDXQL-NRFANRHFSA-N 400.479 1.819 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCC(=O)N4)C2=O)cc1 486267035 NZBXFWORGQFJBW-QGZVFWFLSA-N 405.414 1.812 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@@H]3C(=O)OC)cc2C1=O 504885121 IUHOPSHOCIDVKB-XJKSGUPXSA-N 414.414 1.035 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1C#N 508494028 ZRUXELALHRRGLG-ZDUSSCGKSA-N 417.535 1.586 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN([C@@H](C#N)c3ccccc3)CC1)C2=O 509127368 XLQDJQPUMMJHDT-YZOUICBYSA-N 423.517 1.896 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)CC1 517515461 QBYHQQRIOPGQMY-HXUWFJFHSA-N 423.517 1.066 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 520167887 MHGVLXDMCNKOCC-UHFFFAOYSA-N 412.455 1.888 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc4C3)c2)CCO1 521575726 ZAUBHJFTSNEFLU-LJQANCHMSA-N 411.483 1.798 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3cccc(Cl)c3C#N)CC2)n1 532774476 YIAOMIUEEKCABW-UHFFFAOYSA-N 406.899 1.579 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2cccc(F)c2)cc1 541128976 OVYSODILJYFTNO-KRWDZBQOSA-N 412.446 1.967 30 10 HDEE CN1CCC(CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)(N2CCCCC2)CC1 543758163 XDRIWIHUHWVZCD-UHFFFAOYSA-N 416.574 1.388 30 10 HDEE C=CCn1c(Cc2noc(-c3cccc(NC(C)=O)c3)n2)nnc1N1CCOCC1 546350734 IXHYJFUYVBDITD-UHFFFAOYSA-N 409.450 1.900 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)Nc2ccc(Br)c(C(=O)OC)c2)CC1 548412490 RFUZPXMBKBBXPU-UHFFFAOYSA-N 424.295 1.941 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCCOC1 549597900 IWNYRDHJFFQRIL-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE Cc1cccc([N+](=O)[O-])c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 557246617 VHDLFBVVMBMYGK-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N2CC[C@@](O)(C(N)=O)C2)c1 586810687 UHPZFNSWRDYEEI-NRFANRHFSA-N 424.482 1.351 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 611430130 FSCSAVPEXFGROD-NRFANRHFSA-N 418.513 1.398 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 619502731 AJIKYESHUDFEHY-WSTZPKSXSA-N 414.554 1.801 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670221415 RLXQDFCDUJSPQA-NQIIRXRSSA-N 423.565 1.829 30 10 HDEE COc1ncc(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)s1 714638799 STKXRDVXNURTIU-UHFFFAOYSA-N 417.343 1.386 30 10 HDEE Cc1nn(C)c2c1[C@@H](C(=O)NCc1ccco1)N(C)C(=O)c1cccn1CC#CCO2 725712367 COCWRKZHBZZHSJ-IBGZPJMESA-N 421.457 1.649 30 10 HDEE C#CCN(C(=O)/C=C/c1ccc(I)o1)[C@H]1CCS(=O)(=O)C1 729331553 QKEMKYUEKNODNT-MALLOTDXSA-N 419.240 1.546 30 10 HDEE C#CCN(C(=O)c1ccc(CNC(=O)C2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729332899 BSAADOFZSWMVGF-LJQANCHMSA-N 402.516 1.756 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCO[C@@H](c3nn[nH]n3)C2)cc1OC 732091208 VKAXFMWGGHCDIL-QGZVFWFLSA-N 418.454 1.338 30 10 HDEE COc1ccccc1N1CCC(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 732459616 VZIVSYUXECMUAK-VXPUYCOJSA-N 413.478 1.490 30 10 HDEE N#C[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CCN1C1CC1 732674455 HRHFWRXFXLYYKA-WOJBJXKFSA-N 401.486 1.581 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(C(N)=O)cc1 733202569 SRJCPLGQFWFWOP-OAHLLOKOSA-N 422.470 1.559 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 733202985 ZTVYLNQRWHIFSP-XGTYDZQNSA-N 408.487 1.766 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)ccc1OC 733276448 CYOWZPIXQGJQBF-DZFYGRHCSA-N 412.446 1.103 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])CC1 733895985 UDUGMBHRZUEYSW-SOFGYWHQSA-N 400.435 1.043 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCn1cnc2sccc2c1=O 734293346 RIAXBDQPIMLQDM-UHFFFAOYSA-N 402.457 1.533 30 10 HDEE C[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224396 QXWYYBWCADLZPE-SUYBPPKGSA-N 418.519 1.823 30 10 HDEE CN(Cc1cnccn1)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 735567229 FYCGOTYIVOOIQG-XLNRJJMWSA-N 402.480 1.953 30 10 HDEE CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)C2 744749476 TZGQBWCLQGSEGN-ZACQAIPSSA-N 418.563 1.977 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1 744839677 KHBBHALVRWXHRH-QILLFSRXSA-N 401.463 1.617 30 10 HDEE Cc1ccc(Cn2cccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2=O)cc1 754490186 GJBANSYLELCJBF-LJQANCHMSA-N 419.485 1.342 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)CCN/C(O)=C1/N=CC=CC1=O 762585906 VGCMJUHXDYSYTD-YQTDRKPDSA-N 406.483 1.665 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cc1 763789213 XONLNKIYKQZKCT-QZTJIDSGSA-N 418.471 1.417 30 10 HDEE COc1cccc([C@@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCO2)c1 766982491 IDJDYPLOGAGXQR-SISFKGJESA-N 400.435 1.305 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)cc1 773971066 MECROVKJKQOOHE-GDBMZVCRSA-N 409.508 1.748 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)S(C)(=O)=O 776006286 COKZWCZVJXTCJI-GOSISDBHSA-N 424.542 1.290 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1 782988120 WKEWCHJFMIKWDZ-UHFFFAOYSA-N 400.400 1.067 30 10 HDEE C#CCn1ccc(CN(CC)[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 789328964 GOBOJUACUIVMPM-HOTGVXAUSA-N 417.535 1.252 30 10 HDEE C[C@H](OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1)C(=O)N(C)CCC#N 796422436 FOSKRLFOKKXUKG-JLJPHGGASA-N 403.483 1.412 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@@H](C)OC(=O)[C@@H](C)n1cnc(C#N)n1 798745198 GGYGPLFUCHKDSW-GHMZBOCLSA-N 405.436 1.828 30 10 HDEE CCN(C(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)[C@H]1CCS(=O)(=O)C1 803922751 OUQWBZWFRADOLK-INIZCTEOSA-N 408.451 1.308 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 809920865 FRIRSAZIWZMWNI-LSDHHAIUSA-N 404.471 1.501 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 809927974 KOUNMDVQSCLXCR-CABCVRRESA-N 420.514 1.439 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@@H](CNC(=O)C(F)(F)F)C3)cc2C1=O 810905719 ZGNRSAJRONSAQD-LBPRGKRZSA-N 423.391 1.999 30 10 HDEE CC(=NNc1c(F)c(F)nc(F)c1F)c1ccc(S(=O)(=O)CC(N)=O)cc1 814744194 QVQYVGDBKWVQAF-UHFFFAOYSA-N 404.345 1.733 30 10 HDEE Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 818094030 XJTFGWVUFDUHBN-CPNJWEJPSA-N 418.436 1.734 30 10 HDEE C/N=C(/NCCN1CCOCC1)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 849097965 RCQSUGGHDFXMIR-MRXNPFEDSA-N 402.461 1.354 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H](c2cnn(C)c2)C1 849547546 IRDWJACAJWCWFB-FKBYEOEOSA-N 406.534 1.692 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](C(=O)OC)C1 918336589 ZRTXWDQRNXOYBB-ZFWWWQNUSA-N 407.492 1.305 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCn3cc([N+](=O)[O-])cn3)CC2=O)cc1Cl 1127068600 MYHWNECXVHOJKP-LBPRGKRZSA-N 402.798 1.486 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CCOCC1 1133710125 SOLGSQVSHIXCLC-IAGOWNOFSA-N 420.531 1.787 30 10 HDEE CC(=O)N[C@@](C)(C(=O)N[C@@H](CC#N)C(F)(F)F)c1ccc(S(C)(=O)=O)cc1 1134050342 GWPHJXMVXWRGRE-DZGCQCFKSA-N 405.398 1.402 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 1134861980 LTGIGGBAYLQECL-NRCOAKIOSA-N 402.472 1.777 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@H](C)[C@H]2CN(C)CCN2C)nnc1-c1ccco1 1136874852 UTOZBHXHWUXSTR-HZPDHXFCSA-N 418.567 1.957 30 10 HDEE C=C(CCN(C)C)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1141537992 FWYPTPBUTQSDAJ-UHFFFAOYSA-N 422.533 1.814 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccccc3)[C@@H](C)C2)cc1 1142176771 MZHDGZSPBOHRNZ-SFHVURJKSA-N 411.527 1.945 30 10 HDEE C#CC[C@]1(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1152710394 OFPRHCKGGBHXCQ-KSFYIVLOSA-N 419.522 1.269 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1156672025 CESCOBGWUZGKSP-KZNAEPCWSA-N 413.584 1.062 30 10 HDEE C#CC[C@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1160145953 KDDQSGQMCHKEHJ-SWLSCSKDSA-N 409.280 1.417 30 10 HDEE C=CCOc1ccc(C(=O)N2[C@@H](C)SC[C@H]2C(=O)NCCC(=O)OC)cc1OC 1161017243 SXXAGTUUHJNCTG-HIFRSBDPSA-N 422.503 1.843 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2Cc3cccc(C#N)c3C2)cc1 1164208812 CFKZMRRZGNEXGA-UHFFFAOYSA-N 412.471 1.727 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCC(=O)Nc1cccc(C#N)c1 1174630290 GJVNKPTYQBMYHY-OAQYLSRUSA-N 418.494 1.475 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1174716367 QHRRZOPHMLRESZ-UTKZUKDTSA-N 421.563 1.601 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCN(c2cccc3nc(O)[nH]c23)CC1 1178539115 CLCBRAYLMYSFQA-UHFFFAOYSA-N 407.430 1.876 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cn1 1188221879 FMZTXPVRTSPTDU-AWEZNQCLSA-N 402.480 1.430 30 10 HDEE COC(=O)c1cnn(C)c1NC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1218351906 IFJOKUVCCCJGBY-UHFFFAOYSA-N 419.445 1.981 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1255957053 JKCSOABAERSXLO-HNNXBMFYSA-N 415.494 1.444 30 10 HDEE C#Cc1ccc([C@H](OC(=O)CN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)C(F)(F)F)cc1 1272444878 WARQIGMCURIMLB-HSMRXVHUSA-N 407.344 1.977 30 10 HDEE O=C(NC1(CCO)CN(CC#Cc2ccc(Cl)cc2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1276069415 NDKDFUCCAHDXTR-RMMWZPCPSA-N 400.906 1.668 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3c(ccc(OC)c3OC)[C@@H]2CC)C1=O 1278295697 IMTWVKGIHGIXTE-HNNXBMFYSA-N 415.446 1.516 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1286275938 PTFYBOMFKZJAGN-UWJYYQICSA-N 406.527 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1286292759 JFVKLRAMLYNEKE-ZIAGYGMSSA-N 404.515 1.990 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286322269 AVOUHAPDBKZRGD-DLBZAZTESA-N 409.556 1.793 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1286363831 SDJAGXSUHFNKEQ-HXUWFJFHSA-N 418.519 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccc(O)cc2C1 1286820348 JZQOWQXZAJMLEB-MRXNPFEDSA-N 418.519 1.651 30 10 HDEE CC(C)(C)c1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)on1 1287013751 DHEOAJPTAGMTLL-OAHLLOKOSA-N 413.482 1.463 30 10 HDEE Cc1noc(C)c1CN(C)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1290929546 QFZDKJUTBUSXFQ-HTXNQAPBSA-N 411.466 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](CC(N)=O)C3)C2)C1 1294431137 DQINTFSKUIBVPD-XAHBDIOTSA-N 404.511 1.887 30 10 HDEE CCCN1CC[C@H](Cn2c(C(=O)NC(CC)CC)nnc2N2CCO[C@@H](C#N)C2)C1 1294632232 GISIVDUFVIHWJW-WMZOPIPTSA-N 417.558 1.657 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN([C@@H]2CCSC2)CC1 1295046157 BZEODFYCJVGHGE-DOTOQJQBSA-N 400.552 1.603 30 10 HDEE C#CCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1295257936 KUXFTJIMRQJSER-ROMHJBHXSA-N 400.519 1.585 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 1297727165 DANOWEYFKLCCBH-AWEZNQCLSA-N 422.482 1.533 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 1297785144 CBUMPIBFGKJMCC-UHFFFAOYSA-N 422.580 2.000 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCc2cccc(C(F)(F)F)n2)cc1 1298388924 QRNNZKZHZGUHQT-UHFFFAOYSA-N 412.393 1.609 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(CS(C)(=O)=O)CC1 1300330145 VVCFBSHXQSCSDA-PMPSAXMXSA-N 410.540 1.285 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300357258 KUFPBKLZAKANKD-ROUUACIJSA-N 411.510 1.827 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccccc1 1300512924 NUNRESMEEXYLOL-XZOQPEGZSA-N 408.502 1.911 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1300613807 PTAQMZNRAJXYBL-XUTLUUPISA-N 415.457 1.803 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)CN2CCCC2)CC1 1300706884 UBPOAXUMVAEEMM-LJQANCHMSA-N 424.597 1.627 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@@H](C)C1 1300766063 QQDDQSHQZMWQAP-HNNXBMFYSA-N 411.539 1.360 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccc2OC)nnc1N1CCNC(=O)C1 1300888003 HENRFZPYAOTNPO-UTKZUKDTSA-N 411.506 1.795 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(=O)NC 1300889648 DCOTYEOCPFSHCC-XLIONFOSSA-N 415.542 1.693 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C#N)C1 1301054737 VLDFADVISNYCLU-UKRRQHHQSA-N 405.430 1.676 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1301223023 LHRMOQWIHRHJEF-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@H]1CCOC1 1301493025 UAFSTIYVRATFNU-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1301502352 GCRVFKIVBVYWRN-HNNXBMFYSA-N 417.897 1.824 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1301519096 MLUONOPDBYERNC-OAHLLOKOSA-N 423.525 1.255 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1301595528 VKIGWVXXCZGNQM-CQSZACIVSA-N 415.523 1.546 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1301966587 WBENZBQPRQCUOW-MGPQQGTHSA-N 405.503 1.738 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C)n(C)c1=O 1301969705 OEXQJGGUGBCSFN-JKSUJKDBSA-N 402.499 1.796 30 10 HDEE C[C@H](CC(=O)NCCc1nc2c(s1)CCC2)/N=C1/NS(=O)(=O)c2ccccc21 1303407325 AUMUBFNNSPUVKC-GFCCVEGCSA-N 418.544 1.808 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1)C(=O)OC 1303688674 ZEGQNLJONLVDGA-SQNIBIBYSA-N 404.463 1.773 30 10 HDEE Cn1nc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(F)(F)F 1304876937 RGWHLXIFZPWILD-UHFFFAOYSA-N 415.397 1.184 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1307987559 ALXUZGKNQQPFCW-PGRDOPGGSA-N 422.570 1.359 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1309893445 ALUGOTIAUPCEEZ-SFHVURJKSA-N 413.471 1.656 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2cc(=O)n3ccccc3n2)[C@H](C#N)C1 1312467649 AIUDIHALMUMODG-UKRRQHHQSA-N 412.450 1.253 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc(CC)cc2)CC1 1312789463 QFVYVKBGVSTXBH-LJQANCHMSA-N 414.550 1.825 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)cc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1313266826 IZVLRVWQAPDYMZ-CQSZACIVSA-N 415.309 1.790 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1314343815 HWTSOHKAIMPNFA-FQEVSTJZSA-N 416.457 1.782 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1315036391 ZLJPIZJQAAJMNE-ZZEZOPTASA-N 423.477 1.044 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3COc4ccccc4O3)n2CCOCC(F)F)CCO1 1316538693 AERKLQAMWIFVGA-XJKSGUPXSA-N 421.404 1.801 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCOC)C1 1321457670 WBNXRIJYUOONOE-INIZCTEOSA-N 406.508 1.776 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)cc(C#N)cc1C)C(=O)NCCN1CCOCC1 1353685736 WXFFHKQTBZLEKT-OPAMFIHVSA-N 414.550 1.697 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@H]1CCCO1 1358904586 HHKSDIZBFJFWBP-YESZJQIVSA-N 409.556 1.840 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1358913273 JSQBIVRVUSFSLT-OAHLLOKOSA-N 415.510 1.371 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358945789 URKNLPPOWLNSPB-INIZCTEOSA-N 406.498 1.249 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2cccnc2OCC(F)F)CC1 1359034495 SNXFVSXCWGTBMO-UHFFFAOYSA-N 402.449 1.998 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCCNS(=O)(=O)CC 1359072034 MRFWMWAMJHMVMJ-HXUWFJFHSA-N 416.551 1.585 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1359133127 LZHVYTBADWEKSI-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359133280 OLHKEGVFOCRBEN-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CC1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1359177446 MRNYGQASUWUKPQ-UHFFFAOYSA-N 421.505 1.683 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)C1 1360038670 GVJLXUANTQXDEX-YESZJQIVSA-N 403.531 1.324 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCCn1cc(CO)nn1 1360478108 FZNGXFWJCLODMR-OAHLLOKOSA-N 412.473 1.920 30 10 HDEE C#CCN(C(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1)[C@@H]1CCS(=O)(=O)C1 1442015698 FUUJFHNRZYSTBO-MRXNPFEDSA-N 400.456 1.634 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1[C@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1(F)F 1443537452 PNWPXLHIHAYIOA-DTOOMTAISA-N 414.409 1.035 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(F)cc(I)c1N 1446631884 LKBYPPMQDACKSN-UHFFFAOYSA-N 412.224 1.343 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)nn1 1451876319 FIYFNKDKGSIIJN-UHFFFAOYSA-N 419.488 1.962 30 10 HDEE CC[C@H]1c2ccc(OC)c(OC)c2CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1452849331 WQDYDWGOPJESLN-INIZCTEOSA-N 412.446 1.764 30 10 HDEE COc1cc2nc(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)c(=O)n(C)c2cc1OC 1454330845 ZKTFUBUIIYPWGB-UHFFFAOYSA-N 404.386 1.951 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1460861478 RNKLYCDHILYBMS-FXAWDEMLSA-N 406.490 1.459 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 1463749830 VGEGXZYKBNKENJ-UHFFFAOYSA-N 418.538 1.060 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 1463922597 DAAPWVSNMCKSAJ-UHFFFAOYSA-N 401.510 1.660 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2nn(C)cc2I)CC1 1464746451 CLSWAHZYCSNFFQ-LBPRGKRZSA-N 401.252 1.331 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1 1467906723 ZKGMZBRYKFCQBI-SJLPKXTDSA-N 409.508 1.241 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)cc1 1471707028 KNDRMPNNOBJOGV-MRXNPFEDSA-N 416.459 1.334 30 10 HDEE N#C[C@]12CN(C(=O)CSc3nc(-c4ccccc4)no3)C[C@H]1CS(=O)(=O)C2 1472192232 VSRXAHLARLZWSV-SUMWQHHRSA-N 404.473 1.225 30 10 HDEE Cc1nn(C)c(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1Br 1476650311 FMQCREMXCOJYGR-UHFFFAOYSA-N 421.303 1.759 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 1478669159 LHOZJJWTYLPWQV-UHFFFAOYSA-N 412.515 1.608 30 10 HDEE COC[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC#N)CC1)OC 1504593599 DIPQZGRTWBVOHB-SFHVURJKSA-N 401.515 1.931 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CC1(NC(=O)OC(C)(C)C)COC1 1507608531 MWVWTYVDYFMVRZ-UHFFFAOYSA-N 401.471 1.042 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CC(=O)NCC=C 1507612739 UNCVRDFVDJIBMM-UHFFFAOYSA-N 419.489 1.608 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1507617110 QRZGFBKINQTXLC-CYBMUJFWSA-N 409.899 1.377 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCN1CCCO 1507617676 YFGOPNXJJAQQSN-PXNSSMCTSA-N 411.506 1.707 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1507633546 HDVSCQDKPRGJCB-MRXNPFEDSA-N 406.483 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1507652373 FXLLNWTUWVBXJE-PBHICJAKSA-N 415.519 1.662 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1C 1507671506 LTUSIUOEBSEOEZ-SFHVURJKSA-N 403.446 1.430 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1507688510 BZGJUPVOJRQFJX-IEBWSBKVSA-N 410.522 1.910 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)C 1507797516 DKWYMCCQNVKOQQ-VKJFTORMSA-N 404.515 1.171 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1507835995 SRSNAMVUPKVERS-UHFFFAOYSA-N 420.558 1.704 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)CC1 1507882587 VLAIPWBMPMQGLP-AWEZNQCLSA-N 406.512 1.497 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1508099491 ZGWDAIOWTXOTCY-OAQYLSRUSA-N 421.542 1.484 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)C(C)(C)C 1508426634 HKTLBUCNKITEER-AWEZNQCLSA-N 410.544 1.210 30 10 HDEE CC(C)OCCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1509877878 JCQAASSYFDMGPT-UHFFFAOYSA-N 424.509 1.739 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1517126395 ZWWPTCZISYVDQS-SJORKVTESA-N 423.477 1.278 30 10 HDEE COCCOCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1519393245 FUJCJHIOOVDQFL-FQEVSTJZSA-N 404.515 1.584 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1519532505 VJAPUDQTDYCSHC-MSOLQXFVSA-N 415.519 1.867 30 10 HDEE CS[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1519731256 HQSFEHSWCXTTOL-CQSZACIVSA-N 420.564 1.650 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn3c(c2Br)CCC3)n1 1525224351 JPKDVFPQFAUTTD-UHFFFAOYSA-N 406.284 1.710 30 10 HDEE NC(=O)[C@@H]1CC[C@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)O1 1536952439 DBVAPBGHFIWQKB-OOJXKGFFSA-N 410.261 1.649 30 10 HDEE C#CCCOc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CC(C(=O)OC)C3)C2)cc1 1537448423 UAZVHSLCMRFSRP-BQIYRTECSA-N 419.499 1.718 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539215563 FLOQEOMQYZAZRH-ZDUSSCGKSA-N 413.450 1.529 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(C)CCO[C@H]1C1CC1 1539392435 RNCQJZOSALPCGO-LAUBAEHRSA-N 403.527 1.708 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1539524713 NKWKPBXBEAZUDM-KRWDZBQOSA-N 416.551 1.364 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 1539646447 ROZCRUZOAQOBLQ-POIDYERZSA-N 402.472 1.779 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1540049066 GGLZGDHRDMHKHG-UWJYYQICSA-N 416.526 1.953 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1 1540201177 PJQYIFRNYGJTRA-INIZCTEOSA-N 405.524 1.337 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2ccccc2)C1 1540868372 CDBJDLWNAOLEOK-SFHVURJKSA-N 407.478 1.559 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2C[C@@H]2CCC[C@@H]2N2CCCS2(=O)=O)C1 1540883898 GQVXLVFQSWDJEZ-KSZLIROESA-N 409.556 1.572 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1541032001 FPYJQXMWBGEOAM-ZWKOTPCHSA-N 407.478 1.200 30 10 HDEE CCOCCn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cn1 1541081303 WELRYCVBLUBXPI-RELWKKBWSA-N 419.507 1.985 30 10 HDEE CC(C)OCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1541748967 ZLEUUIVTWCWHOQ-YOEHRIQHSA-N 416.523 1.535 30 10 HDEE C#CCN1CCCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 1544079798 WBFBJHUZBZZSSI-UHFFFAOYSA-N 413.337 1.531 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1545243063 FPXSNCFMESJNDV-CLROSIBMSA-N 416.523 1.127 30 10 HDEE CCOC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1547792994 CAMJFDNEESFUFS-UHFFFAOYSA-N 415.454 1.208 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CO)CC3)n2Cc2ccc(C#N)o2)CCOC1 1547894060 QAGVAGYTYOQJBC-HXUWFJFHSA-N 401.467 1.652 30 10 HDEE Cn1cc(-c2nnc(N3CCC(C#N)CC3)n2Cc2ccc(NC(N)=O)cc2)cn1 1554328693 HGGJHBFUJFSTPC-UHFFFAOYSA-N 405.466 1.957 30 10 HDEE COCCOCCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1555725082 YPWQISMYARUHGP-QGZVFWFLSA-N 410.478 1.742 30 10 HDEE CCN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1556216126 KZPKBQOCCQFITI-TZQQIIETSA-N 404.511 1.854 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](CO)c3ccc(F)cc3)C2=O)cc1 1557026467 LKHNMMGALDYCHP-LPHOPBHVSA-N 424.432 1.795 30 10 HDEE COc1ccccc1Nc1ncccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1558511489 SZJTZDNIKONZJJ-XOBRGWDASA-N 412.471 1.844 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CN1CCC(O)(CO)CC1)CCCC2 1559981932 DRNQNLJBRFFXTD-MRXNPFEDSA-N 416.522 1.175 30 10 HDEE C=CCN(C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1)[C@H](C)COC 1562600384 WWKFPQVXEMJWEI-CQSZACIVSA-N 417.466 1.622 30 10 HDEE C#CCN(CC(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC)C(=O)OC(C)(C)C 1567306186 DVUUDACGDMQXSQ-HNNXBMFYSA-N 420.462 1.559 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC)Cc2c(CO)cnc(C)c2O)c1 1570322268 YNPWJZWMOJAKSN-UHFFFAOYSA-N 419.503 1.715 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1587909315 IQXCCNUAISVNQT-ZDUSSCGKSA-N 407.496 1.023 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588053123 BFBJXECWOZTFDO-JKSUJKDBSA-N 410.540 1.571 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cc(C)on1 1588314702 NVENSAHRZDZOLV-UHFFFAOYSA-N 403.446 1.996 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCO2)CC1 1588954428 HITUQTDWFCWSFW-LJQANCHMSA-N 408.506 1.409 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(c2ccccc2)C1 1595529591 ACNAWYPZCFAVRV-QFIPXVFZSA-N 421.505 1.733 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2CCOC[C@@H]2C1 1595556165 PQVLKIHFXPZZGP-IBGZPJMESA-N 410.522 1.000 30 10 HDEE Cc1nc2ccccn2c1CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1603590818 ZKIMPUNDSKOUCE-CYBMUJFWSA-N 411.487 1.776 30 10 HDEE COc1ccc(-c2cnc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)o2)cc1 1611160144 PVOPCGBCOPEBME-YWZLYKJASA-N 415.471 1.680 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CC(c4cccc(Cl)c4F)=NO3)C[C@H]1CS(=O)(=O)C2 1611165928 VBVYMKJNGSQFMN-IXBGWNDUSA-N 411.842 1.369 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1611723357 AZGCPZGERDEMIW-KHYOSLBOSA-N 403.508 1.870 30 10 HDEE Cc1cn2c(n1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)CCC2 1612344955 GNAJDINGUFKOCC-JKSUJKDBSA-N 412.498 1.228 30 10 HDEE C[C@H]1CCCN(C(C)(C)Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)C1 1612775479 AGCUISUXNYJHGZ-WMZOPIPTSA-N 412.542 1.918 30 10 HDEE CC[C@H](C)[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)OC 1613147305 CKQVCONADCGROO-AVEIZBFRSA-N 407.515 1.792 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@H]1C 1613594234 DTCNJILGHGPQIK-KKVAFCGZSA-N 404.515 1.476 30 10 HDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1613635413 MCHRVDJTKHZWGU-GDBMZVCRSA-N 411.466 1.189 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCC1 1615923536 JSIYABYGIKJNPL-JKSUJKDBSA-N 402.499 1.207 30 10 HDEE N#Cc1cn(CC(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc2)c(=O)nc1O 1616564880 HRDPFQAFEZWUQU-UHFFFAOYSA-N 404.382 1.783 30 10 HDEE CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1618008640 ZRFIGDGMOJSPBN-OAHLLOKOSA-N 420.491 1.415 30 10 HDEE COCC[C@](C)(O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1619776878 NEXWAQNWVFXYCP-VLIAUNLRSA-N 421.448 1.663 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1623648845 DOGINUSTDKRJSJ-CQSZACIVSA-N 414.911 1.519 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc3n(n2)CCC[C@H]3O)c1 1624892868 QYVPEJMVUYLZPZ-RTAFMGCNSA-N 417.491 1.775 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCCN(c2ccccc2C#N)CC1 1626841006 HNOMQTLYFHZBGJ-LJQANCHMSA-N 404.536 1.703 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2Cc3cnn(-c4ccccc4)c3C2)cc1 1628868652 CZGCIVJKPSUHCI-UHFFFAOYSA-N 407.455 1.565 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](CCSC)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OC 1629613172 WKHJYOLYSRJJLR-LSDHHAIUSA-N 407.448 1.127 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)C2)c1 1630761894 FVTZQROADGSKBN-UHFFFAOYSA-N 415.453 1.253 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1633498118 CJJVWIUCUWEQEV-OAHLLOKOSA-N 423.498 1.898 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(c3ccc(F)cc3F)CCCC2)c(=O)nc1O 1634465723 HAYCCWBUDKRGBH-UHFFFAOYSA-N 417.416 1.910 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)C[C@@H]1CCN1C(=O)OC(C)(C)C)c1cc[nH]n1 1635786778 MERBMWNBNYAIPJ-ZDUSSCGKSA-N 423.470 1.161 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 1637124206 HAOMHUAKVHEWFN-YZGWKJHDSA-N 402.516 1.860 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1 1638575388 UUTPONVTPJAAGD-HNAYVOBHSA-N 407.492 1.502 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1 1638575389 UUTPONVTPJAAGD-KXBFYZLASA-N 407.492 1.502 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCC(F)(C(F)(F)F)C(F)(F)F)cn1 1638948292 QTCAMXFEKYGLBC-UHFFFAOYSA-N 411.299 1.895 30 10 HDEE COc1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 1639962080 LHCZUSIHVZXFMQ-QGZVFWFLSA-N 417.487 1.623 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 1645065586 RDRAGLSAFNDFMK-FZMZJTMJSA-N 419.425 1.731 30 10 HDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)NCc1nc(C#N)cs1 1645703339 XEICSWIJGMTTDD-HNNXBMFYSA-N 404.517 1.948 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1646157177 GKFZPPWDZZDHDO-AWEZNQCLSA-N 402.447 1.052 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@H]1C(=O)OC 1648605054 KNZZRRQSRVGFDA-BHIYHBOVSA-N 415.490 1.833 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(C(C)C)nc2c1c(O)nc(=O)n2CC(C)C 1649058089 XLWWLDFLYRWUQM-UHFFFAOYSA-N 400.479 1.998 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccc(N[C@@H](C)C(C)C)c2C)CC1 1650846323 RMCNVVCHWAUSFG-KRWDZBQOSA-N 406.552 1.677 30 10 HDEE N#C[C@]12CN([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]1CS(=O)(=O)C2 1660452676 KZQPPGINVZKGHM-YLQAJVPDSA-N 424.320 1.573 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1 1663990821 LRRPATVGMGBPPC-YOEHRIQHSA-N 402.538 1.490 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1670277965 DIXXBYKAKJKEBC-OAHLLOKOSA-N 420.514 1.982 30 10 HDEE CC(C)[C@H](NC(=O)Nc1cc(CC#N)ccn1)C(=O)N(C)Cc1nnc2n1CCC2 1673998688 CGMGVCFNLFLMSJ-SFHVURJKSA-N 410.482 1.490 30 10 HDEE O=C1NCCN1CCNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1676114498 ZOKZPUBEHDVKDA-HTQZYQBOSA-N 424.292 1.824 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1678990969 GJGPEXNOGOIGSG-SFHVURJKSA-N 404.536 1.320 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1686531765 PRTCDKGRMDEGMX-MOPGFXCFSA-N 403.479 1.905 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](CC)OC)CC1 1690132869 ZHIINFLVAVCXTO-LJQANCHMSA-N 408.506 1.909 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@@H](C)C1 1690238945 PNZHFRKPFUOGLC-FAJBIJEISA-N 421.542 1.650 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1690361561 YPHGQOSCJWQCMJ-QGZVFWFLSA-N 416.526 1.165 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1690622139 IQMMYFPPVFPHMJ-MRXNPFEDSA-N 421.523 1.271 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@@H](COc2ccccc2)C1 1690673680 AAUOGQSHBHSZEW-LJQANCHMSA-N 411.506 1.817 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NC(C)C 1694127568 JZIKFBARKZVQKI-MRXNPFEDSA-N 410.526 1.909 30 10 HDEE CC[C@H](C)N(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1694206029 UPMWZSAHHGWXOA-BBTUJRGHSA-N 420.558 1.778 30 10 HDEE CN(C[C@@H]1CCCCO1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cnnn1 1696749366 CRDVKAROERPLDM-SFHVURJKSA-N 407.482 1.899 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1697121504 GEJBFKPLRVQTHL-WMZOPIPTSA-N 411.510 1.800 30 10 HDEE COCC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697954668 YEMZZZOLWGJPPE-KBPBESRZSA-N 422.511 1.264 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1705488215 NUZOWQARNIYMPA-LSDHHAIUSA-N 405.499 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1705493491 JXNXXMALFYBUNE-VQIMIIECSA-N 420.517 1.858 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCN(C)C)cc1 1705494411 ZLRQJAYCNHHHCH-LPHOPBHVSA-N 410.522 1.676 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1705549784 IBJYTMOCHMLDQZ-HXUWFJFHSA-N 410.503 1.129 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cncn1 1705622484 JOEOEMKFBWHYNI-UHFFFAOYSA-N 419.287 1.413 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1nc(C)cs1 1705627465 HPPANCRLLXSBCM-HIFRSBDPSA-N 402.524 1.884 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@](C)(O)CCOC)CC1 1705644352 NSQWGWWETOJSQV-KKSFZXQISA-N 405.543 1.545 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CC1(C(N)=O)CCOCC1 1705707940 UZYAUJIACIHCAL-UHFFFAOYSA-N 404.515 1.199 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)NCC)CC1 1705708337 BBDFZHAGERASTQ-FUHWJXTLSA-N 406.531 1.647 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(CCN(C)C)CC2)CC1 1705767390 LIKPWWUCPVCBRC-IBGZPJMESA-N 415.586 1.659 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)c1cccc(C)c1 1705934326 ISIRNHTWTPPHOZ-MRXNPFEDSA-N 403.508 1.906 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1705948540 WSCSJJSLWRVDHY-INIZCTEOSA-N 424.596 1.682 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1710316716 GCGQVJRZOVZEDO-AUSJPIAWSA-N 422.505 1.606 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(CC)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1710481999 YVWVAVIULDPCLQ-KKSFZXQISA-N 414.510 1.974 30 10 HDEE C#CCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722340976 OIHYEQCEJKJGEN-KGVIQGDOSA-N 415.538 1.695 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1722381429 QNLXWTQOOKDETR-FGTMMUONSA-N 412.538 1.190 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(NC(C)=O)cc1 1722398202 RTWLODOBIHQAMU-HXUWFJFHSA-N 418.501 1.893 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(O)c1 1722428927 LPFDFFLYGQRJDX-MRXNPFEDSA-N 404.492 1.020 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC1COC(C)(C)OC1 1722544075 VNGGUOCXVALNIE-LBPRGKRZSA-N 421.951 1.476 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](OCc2ccccc2)C1 1722698006 SCEUKVHXNSEIDH-LJQANCHMSA-N 421.505 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N(C)[C@@H]1CCOC1 1722729581 PNQRGGQHLFKVAM-QGZVFWFLSA-N 420.535 1.703 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCOCCOC 1727608263 VWYMQQODSOYPGF-MRXNPFEDSA-N 414.514 1.270 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1729161180 CXMWBPLUSAMASP-SFHVURJKSA-N 401.467 1.617 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1731144495 DHOVFJVMGGTURQ-BFESSNOMSA-N 412.429 1.056 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2ccccc21 1740640316 KKYZQOYECAGKHE-RTBURBONSA-N 408.527 1.983 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740695137 GKCCXMOKCLTUGR-UHFFFAOYSA-N 404.540 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(S(C)(=O)=O)CC2)CC1 1740702798 XUZXAJNSYCSTNG-OAHLLOKOSA-N 421.567 1.335 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740717840 BHTREFGJRRZNOD-MRXNPFEDSA-N 416.551 1.775 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740811215 OAKAYSFMRSBVTD-KRWDZBQOSA-N 424.977 1.915 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(C)cn1 1740940934 WXOWQFXFQSPYSC-UHFFFAOYSA-N 413.482 1.850 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1740980956 NDEOFPRJVSZLSJ-QZTJIDSGSA-N 424.567 1.778 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1748642328 NGLPFVJLNALWSH-OPAMFIHVSA-N 411.506 1.924 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1748646653 BMXZQNNYBUWARQ-KZULUSFZSA-N 419.327 1.982 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748812547 WBLDMPRCUGXBRQ-JZXOWHBKSA-N 419.551 1.961 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1748815624 SEKMWEIDTRGRGJ-SFHVURJKSA-N 416.551 1.849 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCCN1CCN(CC)CC1 1748892243 LWCMTSPLHNJGQA-NRFANRHFSA-N 412.582 1.663 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@H]2CCOC2)CC1 1748984639 WXZWKXONHQRSDJ-LJQANCHMSA-N 412.538 1.482 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N(C)CCS(C)(=O)=O 1749040125 NRTXDOAFUCPLIM-UHFFFAOYSA-N 410.540 1.855 30 10 HDEE C=CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1749433170 ABGGBPZNBXVPNZ-UHFFFAOYSA-N 420.539 1.837 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749489409 VLXBYGAWBTWXFG-KSZLIROESA-N 423.583 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2sccc2C1 1749671133 YVHFAFRESSGSSW-CQSZACIVSA-N 421.548 1.107 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@H](OC)C1 1749678155 XTRHTQBKMGVKOY-WMLDXEAASA-N 401.515 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1749731361 CBXZOZOIZDWGTE-UHFFFAOYSA-N 421.567 1.595 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CC(C)C)C1 1749731682 ILNTVXCTFWAKIH-HZPDHXFCSA-N 409.556 1.702 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(C#N)o1 1749932042 NDVNKFQKHUDYGW-KGLIPLIRSA-N 402.455 1.182 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1750090947 XNHKBCMTTSDSTK-IBGZPJMESA-N 424.505 1.681 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750378248 FSVQISKUXVSIHH-MAUKXSAKSA-N 404.471 1.141 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCN1CCOCC1 1750957037 HUVRBCZPILMTPU-NRFANRHFSA-N 417.558 1.659 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1751165214 NRCWBCVTSPBWOS-UEXGIBASSA-N 424.549 1.992 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cnn(C)c3)nnc2N2CCC(C#N)CC2)C[C@H](C)O1 1752400944 FGOAXDHNGKSOSF-IRXDYDNUSA-N 412.542 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1760096926 WXFFCLHQPUHXRA-LSDHHAIUSA-N 416.507 1.351 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1760202779 MWHJIDVHQLZRSE-SFHVURJKSA-N 404.474 1.040 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCCC(C)(C)C2)CC1 1760259596 NXZBVBHXAHTEPS-LJQANCHMSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1760272453 KRDQFAMRIBWOKS-INIZCTEOSA-N 413.613 1.876 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760351056 AXOZCEWWCQPFHS-MRXNPFEDSA-N 418.542 1.504 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760354878 PZUFQFXSHVLBEN-INIZCTEOSA-N 407.540 1.890 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1760445260 FFOCIOBNXHJAKT-OXQOHEQNSA-N 407.515 1.393 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1760489501 WBCLPFWIHVXMPK-KBPBESRZSA-N 417.626 1.915 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1761358722 CYSQBWIXYXUZLY-OAHLLOKOSA-N 413.478 1.996 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CCNS(C)(=O)=O)CC1 1761546777 HTAHEHRLRYTDEJ-UHFFFAOYSA-N 408.553 1.610 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1769283669 POFGEVRQCNJZSN-DLBZAZTESA-N 421.498 1.673 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1769783470 DKKSGAGFEGWHJQ-IBGZPJMESA-N 423.521 1.206 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)C1 1770318304 BDFUGDYURTVADM-OAHLLOKOSA-N 400.464 1.800 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@H]2CCCO2)CCO1 1770751646 JAKVFJIIHXEFCU-RTBURBONSA-N 412.494 1.578 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1770778995 GETFFLTZLXUPNH-RBUKOAKNSA-N 415.494 1.864 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nncn2C)CC1 1772554944 XRBUCRFDLFNSCR-HXUWFJFHSA-N 401.515 1.898 30 10 HDEE CCOc1ccc(C(=O)NCC(=O)ON2C(=O)c3ccccc3C2=O)cc1OCC 1772790622 RMVIUIZTTGLEPE-UHFFFAOYSA-N 412.398 1.968 30 10 HDEE C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)/C(CO)=N\O 1848439046 BVBBLSHJIAJHSQ-LJIHZXKGSA-N 406.479 1.051 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1850854143 HWYWWUJNGIIIDY-QGZVFWFLSA-N 410.927 1.551 30 10 HDEE C=CCCC(=O)O[C@@H]1CON(C(=O)CN2CCN(c3cccc(Cl)n3)CC2)C1 1851236183 QJLGIXWBWNNWOZ-HNNXBMFYSA-N 408.886 1.509 30 10 HDEE CN(C)C=NC(=S)N(C(=O)c1cn(C[C@H]2CCOC2)nn1)c1ccc(F)cc1 1852103955 CJKRCIGKUHOXLY-CYBMUJFWSA-N 404.471 1.975 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3cc(-c4ccc(F)cc4)nn3C)C(=O)C2)C1 1853741438 NPAKDHHSILELFG-GOSISDBHSA-N 411.481 1.771 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(c3nc4c(OC)cccc4s3)C2)C(=O)C1 1855546777 SBPLSNWGWQRYHO-UHFFFAOYSA-N 400.504 1.988 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CN(C)C(=O)OC(C)(C)C)CCN1Cc1ccc(C#N)cc1 1855601051 XQSXNLUCUMKYQT-OAHLLOKOSA-N 400.479 1.984 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CC1=O 1855868133 WVQZIAGVGBWUME-IAGOWNOFSA-N 404.511 1.997 30 10 HDEE N#Cc1ccc(C(=O)N2CCCC[C@H](N3CCCN([C@@H]4CCOC4)CC3)C2=O)cc1 1856031745 FKVJRIAJWHPJGV-RTWAWAEBSA-N 410.518 1.876 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCO3)C2(CCCCC2)C1=O 1856330801 LBUHXPUMEBWCNL-UHFFFAOYSA-N 417.487 1.598 30 10 HDEE C[C@@H](CC(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1ccnc1 1856392948 SVGGBPHAEFPKQS-JKSUJKDBSA-N 408.462 1.239 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@H](S(=O)(=O)c4ccccc4)C3)C2=O)ccn1 1856470696 QYSIUSGNTQJJLW-OALUTQOASA-N 424.482 1.243 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccccc2OC)C1)[C@H]1CCN(C)C1=O 1857056833 QCHVRFGJQDZPDT-MJGOQNOKSA-N 413.518 1.722 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)CC1 1857069007 SWGISSLBFKWPQH-KBPBESRZSA-N 413.375 1.493 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)Cn3cnc(C4CC4)cc3=O)C1)CC2 1857231131 RFMLTNRITPMUHJ-DOTOQJQBSA-N 409.490 1.121 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CC1 1857327210 QWTRGLKATHLBRQ-KRWDZBQOSA-N 423.922 1.656 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2ccc3c(c2)C(=O)N(c2ccc(F)cc2)C3=O)c1C#N 1866009378 WZBJTXDNEGTVAD-UHFFFAOYSA-N 414.356 1.961 30 10 HDEE N#CCc1[nH]nc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1866022898 SXDUQXBKLLXJGD-UHFFFAOYSA-N 413.191 1.345 30 10 HDEE CS(=O)(=O)CCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1 1867020005 QURYZAICPOLRBV-GOSISDBHSA-N 415.471 1.365 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cccc(OC)c1OC 1874499220 LDVDHWKAMIGOBX-KEBDBYFISA-N 407.496 1.942 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(C#N)ccc3F)CC2)CC1 1890053321 JRZFVIZEFFHMMF-UHFFFAOYSA-N 412.509 1.959 30 10 HDEE C#CCOC1CN(C(=O)c2ccc(CNS(=O)(=O)c3ccccc3F)cc2)C1 1891997763 LECGAAGYEATTRR-UHFFFAOYSA-N 402.447 1.778 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1 2054406118 RRAVLWBTTLOOAS-XWTMOSNGSA-N 404.492 1.466 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2054409093 YNTQFCUHMLXOSK-KURKYZTESA-N 409.508 1.785 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2118165674 DLOQHZVWMSSTBD-NSHDSACASA-N 400.423 1.512 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(CCNS(=O)(=O)CC2(C#N)CCC2)CC1 2174786148 GVFJQIBRTVUKSF-UHFFFAOYSA-N 400.545 1.542 30 10 HDEE Cc1cnc(NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212753840 OBISCZCOORSHGA-AWEZNQCLSA-N 407.320 1.987 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)c1ncccc1B1OC(C)(C)C(C)(C)O1 2212758294 MDDYJIKRGDQOOH-CQSZACIVSA-N 407.320 1.703 30 10 HDEE C#C[C@@]1(C)COCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2221415136 PZTPGHCWFOWKKW-MOPGFXCFSA-N 408.451 1.065 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@@H](O)C(F)(F)F 2241351921 NPYCFKWJORIBFB-GHMZBOCLSA-N 418.324 1.557 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243385555 KQXCZVUYPKKTJG-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)(C(N)=O)C1 2243390649 YVJVQIZHRYTZDX-UHFFFAOYSA-N 409.292 1.204 30 10 HDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2247825814 JOYXTJVPNBGHFC-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CCON(CCNC(=O)OC(C)(C)C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247829783 VWFQYROEXFHSSQ-UHFFFAOYSA-N 424.307 1.627 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]2[C@@H]1CO 2247841851 XZNQPBQOVVDTFY-JYJNAYRXSA-N 420.315 1.307 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247929831 AEMAIPSYKYUHAF-CVEARBPZSA-N 422.331 1.745 30 10 HDEE Cc1cc(S(=O)(=O)NC2CC(C)(CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282319986 BSHFDRMEGXYRHR-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@](=O)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320315 GOSHQHXTSCWCPC-VDBVYFBLSA-N 419.399 1.497 30 10 HDEE C[C@H](N)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282333512 PSCOARRXERVXKH-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE C[C@@H](N)[C@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489534 DNIBYNAHSGPIEE-TZMCWYRMSA-N 400.375 1.938 30 10 HDEE CSCC[C@H](O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495934 TWGZCKWZDRDPHH-GFCCVEGCSA-N 421.415 1.830 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCS(=O)(=O)[C@@H]1C 2282585786 QBXCDHRWJLNVEP-MNOVXSKESA-N 400.331 1.056 30 10 HDEE CC1(O)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CC1 2282830942 CDLCDFVVDUKLQA-UHFFFAOYSA-N 402.347 1.119 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(F)CCOC2)OC1(C)C 2282842664 BBJBKPTVJZYGEE-INIZCTEOSA-N 405.322 1.595 30 10 HDEE C[C@H]1CC[C@@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282845734 YKWUGDXOYUJPJJ-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE CO[C@@H]1COC[C@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852375 OKFVMXIUYZDJAF-VXGBXAGGSA-N 403.331 1.082 30 10 HDEE CO[C@H]1COC[C@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866292 GXTXYLXORABBIA-OLZOCXBDSA-N 403.331 1.082 30 10 HDEE CC[C@@]1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCCNC1 2282869810 IQOQWHOLVVDCSN-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE CC1(C)OB(c2cc(Cl)c(C(=O)N=[S@](C)(=O)CCN)cc2F)OC1(C)C 2282978036 IFVCHYTZNLEJGF-AREMUKBSSA-N 404.700 1.975 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@H]3CO[C@H]2C3)OC1(C)C 2286252771 SHPDSEIXJOPNLK-MDZLAQPJSA-N 400.331 1.039 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(OC)c1OC 2330944431 XCZDSVWEFGDECY-LBPRGKRZSA-N 421.479 1.615 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2363987933 OUERMEQBNXRIGU-KDOFPFPSSA-N 413.565 1.727 30 10 HDEE CC(C)(C)OC(=O)NCC12CC([C@H](O)C#CC(C)(C)S(C)(=O)=O)(CCO1)C2 2365190257 CROWOKDLUKXLOE-FTXHTYHOSA-N 401.525 1.638 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2365198857 JHDCDRSBESQUAU-PMPSAXMXSA-N 402.557 1.816 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2365201499 JDFXEYNEXVYVEM-ARFHVFGLSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C2(CC2)C1 2365208479 CNQQRMFCRUZWCN-IFXJQAMLSA-N 400.541 1.292 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367789258 RETXDJHBIQVVKQ-PMPSAXMXSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367805340 ALVNBJPSNGBDAR-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)CCNC(=O)OC(C)(C)C 2367808517 CZHCBMJURNVCDP-HZPDHXFCSA-N 402.557 1.601 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1C[C@@H]2OCCN(C(=O)OC(C)(C)C)[C@H]2C1 2368866735 HYIVQRQIBQEXFI-UGUYLWEFSA-N 401.529 1.868 30 10 HDEE CCCn1nccc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 43722313 ZRGABKIKCFJSJT-UHFFFAOYSA-N 402.480 1.703 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C)Oc2ccccc2C#N)cc1 53874713 QJNXNZOHGKSQDR-HNNXBMFYSA-N 417.487 1.567 30 10 HDEE N#C[C@@H]1CC(F)(F)CN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1 64573975 XEYZLQVNZFQPGD-JYJNAYRXSA-N 402.401 1.183 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CSC[C@H]1C(=O)Nc1ccc(F)cc1 410144753 YHYZGISKAWNKDM-HNNXBMFYSA-N 416.500 1.246 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@]3(O)[C@@H]4[C@@H]5[C@H]6[C@H]7C[C@@H]5[C@H]3[C@@H]7C[C@H]64)cc2C1=O 428002723 ZHGUGLBSUJWIJP-RNCSOUPTSA-N 404.466 1.707 30 10 HDEE Cc1cn2ccnc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2n1 431202159 HVRCAEJLIIGPKL-UHFFFAOYSA-N 410.459 1.056 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc(-n2cncn2)cc1 479934823 XOADIQYMLUZQLV-CABCVRRESA-N 424.486 1.683 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 504437373 ZAJUBMSCKFOXIF-MSOLQXFVSA-N 420.531 1.938 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(CC#N)cc4)CC3)C2=O)n(C)n1 506878230 ZITBJNUPIQXGOG-FQEVSTJZSA-N 420.517 1.748 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 508827778 SGNWJNJNOGRIBM-LJQANCHMSA-N 404.559 1.547 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@@H]3CCCO3)cc2)c1N 524795149 SGWRDVGCZLKESD-IBGZPJMESA-N 422.489 1.570 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN3CCOC[C@@H]3C2)nnc1-c1ccco1 541755405 OSKDEANQORNHMC-HNNXBMFYSA-N 403.508 1.749 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)CCCC1 546063364 BJHKBZCKGRXPDG-CYBMUJFWSA-N 400.298 1.979 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC(C)(C)C)C1 549274339 MXZGPFHQLKUGBA-GJZGRUSLSA-N 410.540 1.924 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 549278491 BAZMLXWIUXSKBV-ZWKOTPCHSA-N 404.515 1.989 30 10 HDEE C=C(C)Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 549691317 CDRYUWFUAOQXQH-UHFFFAOYSA-N 424.571 1.211 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C2CCOCC2)CC1 554560969 RMZRNXNKDPTEKO-OAHLLOKOSA-N 405.520 1.890 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CC[C@@](F)(C#N)C1 588969835 NMDKBHSBLVRFEX-LJQANCHMSA-N 424.498 1.099 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(Nc3ccc(C#N)c([N+](=O)[O-])c3)cn2)CC1 589572606 DINDOXRYHSBUDX-UHFFFAOYSA-N 402.436 1.687 30 10 HDEE N#C[C@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 592539684 XUEDQFBGKZFNFM-INIZCTEOSA-N 419.434 1.646 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)s1 603797780 GTZWYWNPPOFVTM-CQSZACIVSA-N 415.540 1.240 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](CO)CC2CCCC2)cc1 677972130 GUIYLPDHGFBPHJ-KRWDZBQOSA-N 423.535 1.489 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)[C@@H]1CCS(=O)(=O)C1 731213729 PTXVHYPYKQZOKR-QUCCMNQESA-N 404.532 1.871 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 732440920 CQPJXVLCWVYEQC-JVMRMLDLSA-N 414.462 1.895 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(Br)cn1 732611750 NILVWJUPTYKWST-JTQLQIEISA-N 410.249 1.988 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732648373 TZQUWCLQXKCMRP-SFHVURJKSA-N 416.547 1.982 30 10 HDEE CC(=O)[C@@H]1CC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)=NN1c1ccccc1 734292968 LUJVTWYDWDERDK-SFHVURJKSA-N 410.455 1.896 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1)C(C)C 735194195 GMXNNNLTQZXGGN-FQEVSTJZSA-N 411.506 1.581 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)CCCCOc1cccc(C#N)c1 735768477 MDDNSBASMUBQJA-KRWDZBQOSA-N 423.491 1.496 30 10 HDEE CS(=O)(=O)[C@@H]1CCCC1=NNc1ccccc1S(=O)(=O)N1CCOCC1 745200465 DXOGYNRMEXIIBH-OAHLLOKOSA-N 401.510 1.073 30 10 HDEE CCn1nnnc1-c1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747499420 ZJOMBGNOFRXLGO-UHFFFAOYSA-N 405.418 1.495 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc3ncc(I)n3c2)CCN1C1CC1 749387380 FIHZVWOYRVDJRF-ZDUSSCGKSA-N 421.242 1.751 30 10 HDEE COc1ccc(CNC(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1C#N 752186598 AXECLSJDENSEOE-AWEZNQCLSA-N 409.489 1.262 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 755367486 RNEKLQBHSJMPOD-NXHRZFHOSA-N 419.570 1.411 30 10 HDEE C#CCN(C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CCCC1 757213106 ZKSSSKYLTBDVDZ-UHFFFAOYSA-N 418.563 1.710 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CCN(c4ncccc4C#N)CC3)C2=O)C(C)(C)O1 764863036 CRVLRUVMMXQMOY-NRFANRHFSA-N 412.494 1.301 30 10 HDEE C#CCC(C)(C)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 767648960 FPJNVKKQZYWSPI-MHWRWJLKSA-N 418.515 1.724 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1cnc2c(c1)NC(=O)CO2 771091171 FYCQPOKIXNAWDF-ZDUSSCGKSA-N 424.413 1.913 30 10 HDEE Cn1nnnc1CCN1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 771540673 GZQXDWAFNLFWTO-CQSZACIVSA-N 417.470 1.192 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC)c1 783459230 MQTKUAMKRNQFHA-UHFFFAOYSA-N 418.453 1.660 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)n1 789103729 BRZVZDBVIZILHD-UXHICEINSA-N 403.527 1.318 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C(=O)OC)c(OC)c2)n1 797674894 XHRKGVZFEDSWSU-UHFFFAOYSA-N 400.435 1.992 30 10 HDEE C#CCN(C(=O)N[C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 812561137 DSRSKAFFISTWLY-IEBWSBKVSA-N 402.516 1.913 30 10 HDEE CC(C)CN(C(=O)CON=CC(=O)Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 913034485 MXSHEPNUAXUALY-MRXNPFEDSA-N 413.471 1.438 30 10 HDEE C#CCN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)[C@@H]1CCS(=O)(=O)C1 918754939 LBFTYSDEMCZXKG-OAHLLOKOSA-N 421.496 1.516 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccccc3S(=O)(=O)N3CCOCC3)CC2)C1 1134522355 QTRJUPYCEQLXNS-UHFFFAOYSA-N 420.487 1.185 30 10 HDEE C#CCN(CC(=O)Nc1cccc(CN2C(=O)CNC2=O)c1)C(=O)OC(C)(C)C 1136174176 DNXVFAGAKGPHOA-UHFFFAOYSA-N 400.435 1.547 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)C1 1142763130 ZDOGLDYCYLJNSK-OAHLLOKOSA-N 417.263 1.163 30 10 HDEE CCOC(=O)C(=O)N1CCN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CC1 1147692801 HFFBCLWBQOSHFB-UHFFFAOYSA-N 421.457 1.413 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(-n2cnnc2)cc1 1154155516 UQJMRCBABWXPQR-UHFFFAOYSA-N 410.459 1.725 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N2Cc3ccc(C#N)cc3C2)C1 1163382488 IJXHNDGHFWGGAT-QGZVFWFLSA-N 419.503 1.825 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1164672450 KIKGKRIBJGAUFH-KRWDZBQOSA-N 402.495 1.643 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCO[C@](C)(C#N)C3)nn2)CC1 1179393890 MFBVBFXTEVLWRT-MGPUTAFESA-N 418.498 1.995 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)C1 1203600714 STUPWIKKJOCZNA-MRXNPFEDSA-N 420.535 1.149 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)Cc3cccc(F)c3)C2=O)cc1 1227630405 AZUOSGJEBPOJRK-VQTJNVASSA-N 410.449 1.701 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCCN1C(=O)c2ccccc2C1=O 1227996714 JQJZFHNONPFZFQ-IBGZPJMESA-N 406.442 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1286273871 KWFPLSWIQVCOOH-JKSUJKDBSA-N 419.551 1.931 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)N(C)C 1286275535 RLOKUZKGHOCJLH-GFCCVEGCSA-N 407.316 1.982 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C2CCOCC2)C1 1286343458 VGNLROIYWBXQSL-NVXWUHKLSA-N 409.556 1.555 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286392143 HWHOECVXPXDJMX-OXJNMPFZSA-N 408.568 1.654 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H]1CCS(=O)(=O)C1 1286406825 JHVXNTPFFXXAJG-KRWDZBQOSA-N 421.526 1.944 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)OC)CC1 1286505338 XUMQYVSNOCWSAT-UHFFFAOYSA-N 400.508 1.903 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286668450 ZGXXMDIURXWZSA-HNNXBMFYSA-N 424.509 1.742 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1286715458 IWANKNVFQQUFQD-UHFFFAOYSA-N 401.862 1.056 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286793836 NIJIKLAXXDSTNW-OXJNMPFZSA-N 407.515 1.236 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)OCO2 1286958604 AJWPWUSLJNOBEW-STQMWFEESA-N 420.495 1.261 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1290932505 XUCAVXQBJCHXMA-UHFFFAOYSA-N 415.515 1.790 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1295065289 LHMCVYJBYKFPHJ-UHFFFAOYSA-N 407.478 1.106 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N2CCc3cc(C#N)ccc32)cc1OC 1299227712 HFJCISPOWXGXAY-UHFFFAOYSA-N 415.471 1.833 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)C1 1299756280 HTNXAVLPXBXZAW-WCQYABFASA-N 400.298 1.926 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1300303546 JLUWMPGIEIOGGN-WMLDXEAASA-N 415.519 1.280 30 10 HDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C)C(=O)C1 1300387119 ZTVUTTNOWUNVRH-UHFFFAOYSA-N 405.300 1.738 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1C[C@H]1CCC)[C@H]1CCS(=O)(=O)C1 1300478893 FULBQMDEGUSLOC-IXDOHACOSA-N 419.551 1.502 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300532059 LSRQUDDTPKNECU-INIZCTEOSA-N 422.880 1.241 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC2CCOCC2)CC1 1300700279 NXNWZCWCERWSMC-GOSISDBHSA-N 403.527 1.123 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1300779259 SUDSGKPQTZAHMZ-XMSQKQJNSA-N 412.538 1.765 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1300801930 WVBTZSUSCOOYCZ-HRAATJIYSA-N 407.478 1.623 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1)C1CC1 1301314066 MEUQBNPFOFFEIP-SCLBCKFNSA-N 409.512 1.544 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1)C1CC1 1301327260 PBZIOOQGHITMEZ-IRXDYDNUSA-N 403.527 1.822 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H](N(C)C(=O)N(C)C)C2)CCCN1C(=O)OC(C)(C)C 1301511354 UTYLTGBNQANLNP-HRAATJIYSA-N 406.527 1.994 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1301567442 WQINDKPSBAURDS-LJQANCHMSA-N 420.477 1.687 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1303000138 AZUPVKPQIYWHJJ-OAHLLOKOSA-N 401.496 1.300 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 1303723375 ROVFTWPVJXWSKA-INIZCTEOSA-N 410.453 1.677 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@]2(c3cnn(C)c3)CCCO2)s1 1304632200 HVRLRDONEULTIX-SFHVURJKSA-N 424.548 1.311 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)cc1 1308031340 FBMYBLUQIYQKEB-XMMPIXPASA-N 418.497 1.678 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)CC1 1309870531 RMHVCIVGQHNFPF-UHFFFAOYSA-N 400.522 1.219 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1313042858 JEDHJOKUUNMRIZ-LJQANCHMSA-N 416.503 1.003 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N2CCOCC2)cc1 1314404831 OVBLQVGQOACTOW-LJQANCHMSA-N 412.494 1.428 30 10 HDEE COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1316107799 GXBUVTOJUFAOTJ-MRXNPFEDSA-N 413.457 1.213 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358950733 WSQGEBWJOORRPS-INIZCTEOSA-N 405.499 1.359 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOCCOC)CC1 1359032584 UEBPDBFNBSDALM-UHFFFAOYSA-N 418.929 1.802 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 1359039234 AILMGWXDTMXDRT-RXVVDRJESA-N 403.527 1.298 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359060937 MBCASXLFPARMJR-QGZVFWFLSA-N 424.530 1.797 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(C(C)=O)CC1 1359295837 PBXGIEMIDFXRQX-UHFFFAOYSA-N 417.901 1.354 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1359301450 YWEOXFOYXFOZOK-OXJNMPFZSA-N 412.425 1.535 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1360475969 GCGZPXSCLKOCBZ-HUUCEWRRSA-N 410.544 1.540 30 10 HDEE COCCn1ncc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1C 1441662157 CSYAUMXQKNPTNB-PYCFMQQDSA-N 419.507 1.903 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H](C(=O)N[C@@H]3CCN(O)C3=O)C2)c2ccccc12 1450162000 HFKZLYBZULQJCL-KBXCAEBGSA-N 411.458 1.807 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1452242819 LZAURQJNIYJDHX-KBPBESRZSA-N 422.482 1.520 30 10 HDEE C[C@]1(C#N)CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1453885542 CEVBTDFILFMPSA-OAHLLOKOSA-N 400.298 1.880 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(F)cc(I)c2N)C1 1455711838 JCBVTCUVTQRDFY-NSHDSACASA-N 401.223 1.840 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@@H](c3ccncc3)C2)c1 1457815685 AMMWBUSGRVYBSY-SJLPKXTDSA-N 400.460 1.268 30 10 HDEE C[C@@H](C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)n1nnnc1C(C)(C)C 1458001751 IAVCOARTKNMPPK-LBPRGKRZSA-N 400.439 1.436 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCOc2ccccc2Cl)c1=O 1459210573 LQLGPWFRAYPHLI-UHFFFAOYSA-N 405.838 1.956 30 10 HDEE CCN(CCC#N)S(=O)(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 1463893977 CBLJCBFQTMCUER-CYBMUJFWSA-N 422.320 1.809 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C1 1466123156 RGWRGLPFZZMQNN-OAHLLOKOSA-N 411.462 1.834 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)COc1cccc(Br)c1C#N 1469341799 HNZADHWCCYNVBS-LBPRGKRZSA-N 409.284 1.278 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCS(=O)(=O)C(F)(F)F)CC1 1470029794 BQJNVSXDFHZCBA-UHFFFAOYSA-N 412.430 1.688 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1470581573 BJBVXXQFXULRDQ-HOCLYGCPSA-N 403.508 1.174 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1470956382 JFAGDWASZGJCMN-MRXNPFEDSA-N 403.479 1.600 30 10 HDEE CN1CCN(CCn2c(-c3cnccn3)nnc2N2CCC[C@](C)(C#N)C2)CC1(C)C 1503684641 HRBRVNRMQYWZOT-JOCHJYFZSA-N 423.569 1.891 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1504711196 DXRKFKVHEDSRLH-NQIIRXRSSA-N 413.478 1.474 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1505322477 OQQKDHOLKKNPNK-OCCSQVGLSA-N 422.898 1.157 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1507558368 WQKRWZGVMDAKLU-HUUCEWRRSA-N 411.528 1.081 30 10 HDEE C#CCN(c1nnc(C)n1CC(=O)Nc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507625472 JQLSIYFSJUARBL-KRWDZBQOSA-N 415.519 1.469 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507631454 DNJZIPICTAWQGM-YLJYHZDGSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCc1ccc2c(c1)OCCO2 1507647714 GLUJCPRAAUNPDY-UHFFFAOYSA-N 400.442 1.822 30 10 HDEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCN2CCN(C(C)=O)CC2)CC1 1507899658 PERXVLWKTVYXON-UHFFFAOYSA-N 409.538 1.907 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC2CC2)CC1 1507906918 PCBJGKCXKHSOGK-UHFFFAOYSA-N 402.524 1.962 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)nc1)C1CC1 1507987986 ODBOKHZKXBLLAI-CQSZACIVSA-N 419.555 1.552 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1508037890 FJBVFTACHFONAC-QGZVFWFLSA-N 420.535 1.876 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1508060855 GQHHVNMJMSFSMF-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1509758820 IBDABKNOQDEGAA-UHFFFAOYSA-N 421.505 1.448 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1513977038 YZVRCENSHIITEY-ROUUACIJSA-N 410.478 1.337 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2cccc(C(N)=O)c2)cn1 1517367136 CLBODOFDWBRQII-HXUWFJFHSA-N 408.441 1.462 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc2ccc(Br)cc2c(=O)o1 1520272919 VMUJBUXNZVOMIE-UHFFFAOYSA-N 400.250 1.886 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)Cc1cccc(OCC(=O)NC)c1 1525283994 CBHCBSSGNOXZMR-UHFFFAOYSA-N 413.434 1.279 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCCCN1CCCS1(=O)=O 1531221854 JOKHENMBURAFIO-HNNXBMFYSA-N 416.544 1.505 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 1537838377 PHMXUJBIDRDCOW-KGLIPLIRSA-N 423.466 1.933 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1538761057 OUXZUABJXBNMFB-IINYFYTJSA-N 403.338 1.624 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1CCCO[C@H](C)C1 1539271786 KVNDGTXDYWEEHZ-HXUWFJFHSA-N 406.534 1.838 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1539344068 WUPDPGXHJCPWLY-AWEZNQCLSA-N 421.523 1.413 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1539517421 NKUNFXOTLAACOX-QGZVFWFLSA-N 413.503 1.435 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)COC)C1 1540883328 XXYOQAXWQMPFCN-HZPDHXFCSA-N 400.483 1.989 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N(C)C)C1 1540896799 UCCZOTRWVGVXRC-OAHLLOKOSA-N 403.458 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540900772 HJUSKCGTHRWMSH-OAHLLOKOSA-N 420.539 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540907039 JYGJKYYXLATLRB-QGZVFWFLSA-N 421.567 1.423 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1541105343 HHKQONYGXXXZMI-KFWWJZLASA-N 420.539 1.586 30 10 HDEE Cc1cc([C@](C)(O)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)c(C)o1 1542139648 DFASRKPYQNRFOP-CWFSZBLJSA-N 416.457 1.789 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCN(C)C2)n1 1543030969 GPJQNQMMZZMFNA-NRFANRHFSA-N 412.542 1.336 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3cccnc3)nnc2N2CCO[C@H](C#N)C2)CC1 1547727320 CCHIVNPWEUVZPG-UYAOXDASSA-N 424.553 1.342 30 10 HDEE CCOCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1548235344 WPHOGJYZTIACBD-YJBOKZPZSA-N 412.560 1.835 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1554242573 QXQGNWKILFHUNU-KBPBESRZSA-N 405.480 1.166 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1554596922 CCQKUAZGGRNODN-CQSZACIVSA-N 418.523 1.370 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3ccc(C#N)o3)CC2)CC1 1560014470 URRLSOPAIYXGPF-UHFFFAOYSA-N 403.483 1.942 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cccn2ncc(Br)c12 1565630376 YTTIDWYYKRITFO-SSZFMOIBSA-N 404.224 1.353 30 10 HDEE C=CCn1cc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 1585550547 YRCCBNBARQJTCP-UHFFFAOYSA-N 403.508 1.498 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1 1587625844 CPLPGXLJHHSALH-CZUORRHYSA-N 401.492 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCCO2 1588088962 DKDSSDLCRYSFHW-HSZRJFAPSA-N 422.485 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1ccn(C)n1 1588093123 BXJTZYJEPRJJKF-UHFFFAOYSA-N 420.473 1.826 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1C1CC1 1588138493 DTHVAYBFWKYAID-HKUYNNGSSA-N 415.563 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](COC)OC 1588200630 XXJILBFVSLTPED-LJQANCHMSA-N 420.477 1.045 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1588271794 PQOCVWZONWDBGH-MRXNPFEDSA-N 411.506 1.796 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@]2(O)CCCC2(C)C)CC1 1588749953 BAJWMDAWHNICJI-PGRDOPGGSA-N 419.570 1.699 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC[S@@](=O)CC)CC1 1588849121 ZPRKYQYJIZOTIT-LJAQVGFWSA-N 415.563 1.401 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2=CCCOC2)CC1 1588876935 OMZRPRCSACDSHH-OALUTQOASA-N 401.511 1.104 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)CC 1589163579 KVVZDDDVGBMREN-RTBURBONSA-N 410.540 1.357 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1594752234 BZWFJEHLTZEHCN-IBGZPJMESA-N 407.540 1.382 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 1595381840 ZHCZUMQEOOSHMF-ZWKOTPCHSA-N 424.553 1.738 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1595516492 DQEJZCGAPCFRIZ-WBVHZDCISA-N 410.478 1.490 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3CC[C@H](C(F)(F)F)O3)C2=O)cc1 1597562956 KTFADMXKHRUPAE-RRFJBIMHSA-N 424.379 1.989 30 10 HDEE CN(C)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C(C)(C)C1 1597777367 XGVYBLJJUZIXAL-UHFFFAOYSA-N 410.471 1.341 30 10 HDEE CO[C@]1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCS(=O)(=O)C1 1598273122 NQWQGPNUTRQLPY-IBGZPJMESA-N 404.444 1.664 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@H](C(=O)NCCOC)CC[C@@H]2C)c1 1615280364 RJJBIGXFVHJECE-DOTOQJQBSA-N 400.479 1.179 30 10 HDEE CCOc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1616456140 GLMYEUUSUUSPHZ-KRWDZBQOSA-N 410.478 1.576 30 10 HDEE C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2c[nH]nc2C#N)C1=O 1623333483 UCXRKFXPWJEMAQ-INIZCTEOSA-N 417.223 1.450 30 10 HDEE C[S@](=O)Cc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1627126095 CUUGNZKUGUAYOT-SANMLTNESA-N 408.476 1.931 30 10 HDEE Cc1cccc(CN2CCCC[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1627137214 UHYIBGIKXLNXPE-QKNQBKEWSA-N 401.532 1.746 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1C(=O)CCn1cc(C#N)c(O)nc1=O 1627298758 BWXIEKUUSBFCNW-MJBXVCDLSA-N 419.482 1.455 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1627367157 BEQKGIMXVPTETA-ZVZYQTTQSA-N 410.923 1.726 30 10 HDEE C#CCN(C(=O)Nc1cc(F)c(Cl)c(C(=O)OC)c1)[C@H]1CCS(=O)(=O)C1 1628105702 LZRZUCYRVPQPRS-NSHDSACASA-N 402.831 1.920 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3ccccc3)CCN(CC)CC2)CC1 1628146509 IMGZNUUOUKKFHS-UHFFFAOYSA-N 410.562 1.324 30 10 HDEE C#CCCN1CCC(NC(=O)C2=NO[C@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1628690590 GZUBFCVSOWTVOG-OAQYLSRUSA-N 404.511 1.746 30 10 HDEE COCCNC(=O)Cn1cc(NC(=O)c2cccc(C#N)c2Br)cn1 1629077625 SYNLEFANGCYARO-UHFFFAOYSA-N 406.240 1.532 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1629541569 YUOUWWACINEFCK-INIZCTEOSA-N 413.927 1.644 30 10 HDEE C#CC1(O)CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1630039595 ZDAILEDCLIJXPH-RXVVDRJESA-N 400.475 1.789 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@H](c3ccc(OC)cc3)C2)c1 1635175901 ZPQZIYWYUMSLRX-FQEVSTJZSA-N 413.499 1.393 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)CCn1cc(C#N)c(O)nc1=O 1638155519 SMNXDSJRNPFVJV-MAUKXSAKSA-N 424.457 1.379 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1=O 1638197489 REJNQEIYFKBKPY-SFHVURJKSA-N 413.474 1.728 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1)C(=O)OC(C)(C)C 1641119590 DMWSAKVNGPSQOK-OAHLLOKOSA-N 401.463 1.787 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](O)[C@H]1CCCO1 1641442031 KFUWZVHGTUHQAI-UONOGXRCSA-N 413.268 1.754 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@H](C#N)C3)CS(=O)(=O)[C@H]2C1 1645042592 GFAFFGRQFVNFMM-FPCVCCKLSA-N 411.524 1.419 30 10 HDEE C#CCONC(=O)[C@@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1645285455 KAFNFBRGPMQCPO-HIFRSBDPSA-N 400.294 1.724 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(C#N)cc2)cc1 1645356504 CLKLUYWWRWRQRU-UHFFFAOYSA-N 414.487 1.544 30 10 HDEE Cc1nc([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[nH]c1C 1645370139 ADTXZBHAUGFAKB-RHSMWYFYSA-N 401.492 1.929 30 10 HDEE CC(C)O[C@]1(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1646169914 KSJHNRUTHJUBKM-UTKZUKDTSA-N 414.462 1.464 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(C(=O)CNC(=O)c2ccc(C#N)cc2)C1 1648119583 PANJYWYNDAFOKU-NRFANRHFSA-N 416.478 1.166 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@H]2CN(c3ccccc3)C(=O)O2)CC1 1660016593 KWXJLPDZXPUYKS-VQTJNVASSA-N 413.522 1.636 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)cc1 1667955978 HDSBPDUDKUBIEW-DZGCQCFKSA-N 415.537 1.580 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 1674596688 GZOVCFQCXHWVLE-RBUKOAKNSA-N 420.554 1.751 30 10 HDEE C#CC[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1677791341 MKQGUGJOUDWMSJ-ZWKOTPCHSA-N 405.520 1.699 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3cn(C(F)F)c4ccccc34)C2)c(=O)nc1O 1683261143 YHRQRVCMHNVRHX-UHFFFAOYSA-N 414.372 1.937 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1689924481 JAVAELPQNOQKJT-UHFFFAOYSA-N 411.510 1.167 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCO[C@@H]1C 1690028454 WWIGQEKCBVXEDN-OZQHCQBDSA-N 400.523 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CC 1690044063 XURZDAJKLSNHGS-QGZVFWFLSA-N 408.506 1.953 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CCOC)CC1 1690410300 HGJJTXJIUWMMMP-UHFFFAOYSA-N 416.526 1.986 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1690527313 NBYDWIIETMEUKW-INIZCTEOSA-N 409.556 1.595 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)OCC)CC1 1690664505 VUMUTKNKZLMMEE-UHFFFAOYSA-N 402.455 1.427 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCCCCO)n1 1693429688 FVHJQHNEDUYFAH-IBGZPJMESA-N 412.542 1.479 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)CC#N 1695046572 CLUPIXLJSHTSED-JKSUJKDBSA-N 403.531 1.805 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C(C)C 1705534855 UDKLQHLVIOADEK-IAGOWNOFSA-N 409.556 1.649 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1705542332 DEVGULCLZDGDDI-OAHLLOKOSA-N 406.508 1.523 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1Cc1ccc(N2CCOCC2)nc1 1705581973 PQUTUGWZCIMABH-HXUWFJFHSA-N 420.517 1.872 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1N1CCOCC1 1705583180 RXOMBZFJTOCIFH-FQEVSTJZSA-N 405.502 1.740 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1705612165 AYTBAIVNPYHFNW-KZNAEPCWSA-N 407.584 1.760 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 1705892623 SQKZIHNLLLMBNM-UHFFFAOYSA-N 422.533 1.786 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)N(C)C)C1 1705919542 GNDBOYJPLLAWMV-OAHLLOKOSA-N 409.512 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CCOC1 1705933860 UDCKFWZJSUNUDU-MRXNPFEDSA-N 406.508 1.780 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1nccs1 1711234348 DDRHRCFBKVWRIL-UHFFFAOYSA-N 402.505 1.802 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1712098265 HKDZBHGZXPGWSL-GRDNDAEWSA-N 416.482 1.653 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722326857 LIFHFOBSFZLHDY-HNNXBMFYSA-N 405.466 1.001 30 10 HDEE C#CCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722339170 RBAFCIFORJFYGG-FIKGOQFSSA-N 401.511 1.447 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1COc2ccccc2O1 1722374008 PQUUOFRUXYQCMV-QZTJIDSGSA-N 410.474 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1cccc(-n2cncn2)c1 1722383147 ISDMFZIRPZQDPS-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)C2CCCCC2)CC1 1722438174 ZJQKHUBMIGNQON-AVRDEDQJSA-N 414.554 1.316 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2CCOC[C@@H]2C1 1722726016 WXLBVSHHJYMKNG-SFHVURJKSA-N 417.535 1.067 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOC[C@H]1C 1723167399 HNVQDKAUTMADRO-OAHLLOKOSA-N 411.510 1.657 30 10 HDEE C[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723826923 BLIQMNUWSYCAFH-CQSZACIVSA-N 404.478 1.825 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1C 1724438317 MCJVNJFDLFDWCJ-XMSQKQJNSA-N 424.505 1.681 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1(O)CC1 1729066785 KTKLRUZXMKUCGV-UHFFFAOYSA-N 400.458 1.677 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(F)cc1)N(C)C 1740608447 BFLRCDUMCOKRNJ-FUHWJXTLSA-N 419.526 1.692 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CCCCC1 1740637004 LWXJKVKXLHNKSW-UHFFFAOYSA-N 419.533 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](OC)C2CC2)CC1 1740704186 JSSFNHCLCFYKER-IBGZPJMESA-N 408.506 1.731 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1CCS(C)(=O)=O 1740776004 KDWKKTOUDNFRFT-UHFFFAOYSA-N 411.553 1.717 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740848019 ACIRUWNNIVQULF-JKSUJKDBSA-N 416.526 1.857 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCSC2(CCOCC2)C1 1740990947 KPUOUFORUIKRMJ-UHFFFAOYSA-N 412.581 1.859 30 10 HDEE CCN(CC)[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1746058686 FPONBULROLCTCY-CABCVRRESA-N 411.576 1.359 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H]1C 1746373153 GTDZIRIITPJECI-HOTGVXAUSA-N 405.510 1.912 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCSC2)CCOC1 1746668572 HSHFBSOBVWFPDG-UXHICEINSA-N 421.567 1.928 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1748076078 HICVCJXMQCBLMP-CQSZACIVSA-N 409.494 1.256 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(OCC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748823762 BHNUHPJZRLGVHM-QGZVFWFLSA-N 424.567 1.791 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1749550987 OBCLUKZSMAIYKY-OAHLLOKOSA-N 402.524 1.962 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(OC)cc2)C1 1749668998 BILIOALFEUJEEY-FUHWJXTLSA-N 424.505 1.534 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1749676895 HCSIXZKYVXDZNF-UHFFFAOYSA-N 423.496 1.870 30 10 HDEE C[S@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)CC1 1750219213 HMXVOWDGYIQXIY-NDEPHWFRSA-N 404.540 1.442 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O)N(C)C 1751129004 ZERQKDAUAPIPLJ-HNNXBMFYSA-N 404.540 1.638 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCCO1 1752355505 UHMQJXCQZWJFIQ-KGLIPLIRSA-N 405.480 1.308 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCO1 1752387408 FYJWJQIABVXHHK-BTYIYWSLSA-N 410.478 1.432 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)N(C)C)c1 1760095739 XRUDETHPJAYTEA-MRXNPFEDSA-N 410.522 1.819 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760117333 ZJOMENAEOMOUTD-RDJZCZTQSA-N 419.526 1.747 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1760144623 WPEOOZDWAYHIFX-UHFFFAOYSA-N 412.542 1.276 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1760162952 VZNBDEKPEMXQAP-VQTJNVASSA-N 400.571 1.800 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1760173543 ADSSIEOXLXJJJL-MRXNPFEDSA-N 402.520 1.772 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760193092 SUWCVXPDQWSOQC-BRWVUGGUSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(C)(C)C(=O)NC 1760196395 SPTKZCLWJKAAPT-UHFFFAOYSA-N 417.311 1.881 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CCCO1 1760198783 IYQUJVLSTAIPAC-NRFANRHFSA-N 402.462 1.563 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1760249198 WVNWXWAACWGFHJ-DLBZAZTESA-N 410.540 1.431 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1760364861 DUAGHUOJLHAPKE-OLZOCXBDSA-N 403.936 1.524 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(S(C)(=O)=O)cc1 1760453636 CKJUOOKXNXSUMP-UHFFFAOYSA-N 403.508 1.588 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCOCC1 1760554750 LTIJJTWFJIFKRS-UHFFFAOYSA-N 412.462 1.585 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760559012 HPRXLDFZBKMOJY-JXFKEZNVSA-N 421.567 1.818 30 10 HDEE CCc1nc(C)c(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)o1 1764606696 XRRDUFTZLQPZKZ-GJZGRUSLSA-N 404.471 1.638 30 10 HDEE CCOCc1nnc(N2C[C@H](C)CC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1766265373 SDMXFSSFUSXYEI-YPWSZFOLSA-N 402.499 1.966 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1767158238 DEXGQTRBOSAROG-RBUKOAKNSA-N 417.558 1.276 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1767958758 APYRXVFPVUQAHD-INIZCTEOSA-N 420.514 1.943 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOCC2CCOCC2)CCO1 1770746584 BTTOURNUZGNNRE-RTBURBONSA-N 419.526 1.734 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1848882159 AWHGGGNIBYIBML-HNNXBMFYSA-N 422.526 1.719 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)NCCC(=O)NCC#CCN2CCOCC2)cc1 1850069470 SQAHXFAIVSARRI-UHFFFAOYSA-N 421.563 1.104 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccc(Cl)c2)C(C)C)CC1 1851071685 NTQCAONDLDNBQC-SFHVURJKSA-N 411.955 1.810 30 10 HDEE CN(C(=O)[C@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1)c1ncccc1C#N 1851486869 CWYRELYLFZTMIX-OAHLLOKOSA-N 406.851 1.797 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@H](Cc2cccc3ccccc23)C(=O)OC)NC1=O 1851714444 YHFORSYGAVDZGA-INIZCTEOSA-N 421.453 1.883 30 10 HDEE Cc1nn2c(C)c(C(=O)N3CCCn4c3nc3c(c4=O)CCCC3)cnc2c1C#N 1852333955 MVCKECRIQIQMAK-UHFFFAOYSA-N 403.446 1.704 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3CCc4c(ncn4C)C3)c(C#N)cc2C#N)CC1 1852760948 CUALLZWCUWYJIR-AWEZNQCLSA-N 404.478 1.054 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)cc1 1853242067 XBNQJWWUSXEASK-AWEZNQCLSA-N 416.956 1.972 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)C2)cc1=O 1853245905 QVAICOSXPXAFSP-HNNXBMFYSA-N 403.446 1.115 30 10 HDEE COCCn1cc(C(=O)N2CCN(Cc3ccc(C#N)s3)C(C)(C)C2=O)cn1 1853685052 ZOOVUNNYPNOPBC-UHFFFAOYSA-N 401.492 1.726 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3cnn(C(F)F)c3)C2=O)C1 1854251055 LLMBDDCZUMGBFU-HNNXBMFYSA-N 416.388 1.439 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC[C@H](N(C)CCC#N)C1=O 1854301064 XIZLQFCKRDEBLI-SFHVURJKSA-N 408.458 1.823 30 10 HDEE CN(CCN1CCN(Cc2ccccc2)CC1)[C@@H]1CCCCN(C(=O)CC#N)C1=O 1854558718 UILDMNXLQNOOKQ-OAQYLSRUSA-N 411.550 1.557 30 10 HDEE C=CCCC(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1 1854570724 YORPIBJTTPUCRB-INIZCTEOSA-N 408.476 1.800 30 10 HDEE Cc1oncc1C(=O)N1CC[C@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854864755 ZLIPXODNWBABEY-SFHVURJKSA-N 409.446 1.782 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)Cc3ccc(F)cc3)C2)CC1=O 1855104433 OJOGQPQPLWMOFI-SFHVURJKSA-N 423.510 1.367 30 10 HDEE CC(C)N1CC[C@H](N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2(C)C)C1=O 1856051838 JITGSADYPPXHDS-IBGZPJMESA-N 410.518 1.950 30 10 HDEE Cn1ccc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2(C)C)cc1=O 1856076832 FAYTYRAWPHCQRD-UHFFFAOYSA-N 406.486 1.839 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)cc2n1C 1856531780 LGDAFHYNBBNIJM-DOTOQJQBSA-N 407.474 1.244 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4COCCO4)C3)CC2)cc1 1856635831 VAAIVJHUZVJJIZ-YLJYHZDGSA-N 413.474 1.192 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)[C@H]4CCCO4)C3)CC2)CC1 1857127123 GEBLZRHGVWSFTJ-IEBWSBKVSA-N 416.522 1.015 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@H](N3CCN(C(=O)C4CC4)CC3)C2=O)c1 1857170142 ONTJCIXQOSQRTF-SFHVURJKSA-N 414.893 1.701 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cncc(OC)c2C)C1)[C@H]1CCN(C)C1=O 1857252481 FZLAELIBEBEUSY-WBVHZDCISA-N 400.479 1.106 30 10 HDEE C=CCn1cc(OCC(=O)NCCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870681651 IOAIIWXBMIBMGM-UHFFFAOYSA-N 405.495 1.278 30 10 HDEE O=S(=O)(NCC#CCN1CCOCC1)c1cc(Br)c(F)cc1F 1890667708 IZLOKQOJSPQPAL-UHFFFAOYSA-N 409.252 1.341 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(n3ccnn3)C2)[C@@H]1c1ccc(C#N)cc1 1892102022 PWKZDWLFYUGPHD-OALUTQOASA-N 410.503 1.627 30 10 HDEE C#CCOCCOCCNC(=O)[C@@H](COCc1ccccc1)NC(=O)OC(C)(C)C 1988513754 VGPMWXLGJGUEKL-LJQANCHMSA-N 420.506 1.879 30 10 HDEE C=C(Cl)[C@H](O)CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1990706740 SXJIXTXKKKWZSB-UONOGXRCSA-N 405.856 1.284 30 10 HDEE Cc1c(C=C2SC(=S)N(C)C2=O)c(N2CCSCC2)n(C)c(=O)c1C#N 2053510646 MBJZKMOTIMTPEZ-UHFFFAOYSA-N 406.558 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174788138 BFYUBQJEBZDZON-OLZOCXBDSA-N 408.471 1.559 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(=O)(=O)Cc1cccc(C#N)c1F)C(=O)O 2195346113 OQTDCJDNAOVFAH-CYBMUJFWSA-N 400.428 1.980 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)Nc2nc(Cl)ccc2C#N)C1 2197803140 WAKWNFFBNHUUNK-LLVKDONJSA-N 414.871 1.579 30 10 HDEE CC(C)(C)OC(=O)NCCc1nnc(NS(=O)(=O)N2CCC[C@H](C#N)C2)o1 2203633284 YBWBKQIOMKUISL-LLVKDONJSA-N 400.461 1.029 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2241158301 IDSJRVRTEBEJCI-SECBINFHSA-N 404.681 1.337 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)ON2C(=O)c3ccccc3C2=O)C1 2241943677 IUNVJAJOOPRPRP-MRXNPFEDSA-N 415.446 1.825 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243384719 VGDNNEJZSYUKGD-LBPRGKRZSA-N 408.308 1.600 30 10 HDEE C[C@@H]1OC2(CNC(=O)OC(C)(C)C)CC1(NC(=O)C#CB1OC(C)(C)C(C)(C)O1)C2 2247803571 FKLCXMZVEVNQEP-YJPTXTSQSA-N 420.315 1.952 30 10 HDEE CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247822869 JGEDYYRBTCNNSC-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE C#CC(CO)(CO)NC(=O)c1cc(Br)ccc1I 2261453752 MLDMRJIKCYDADL-UHFFFAOYSA-N 424.032 1.140 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[S@](C)=O 2267371619 CSJZNWMNAPWSAN-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(O)CSC2)sc1B1OC(C)(C)C(C)(C)O1 2267761661 BDLWQEJRCNXJHK-UHFFFAOYSA-N 405.372 1.112 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)nc1)NC(=O)OCc1ccccc1 2270506494 BKBDXYYLLZTXFK-MRXNPFEDSA-N 418.431 1.163 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)S(C)(=O)=O 2281823439 YPGQJVKJAIIBJQ-NSHDSACASA-N 401.721 1.802 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3cnn[nH]3)cc2Cl)OC1(C)C 2282306751 RIUMWHNWNUSYRQ-UHFFFAOYSA-N 418.737 1.340 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](N)C1 2282320295 GJTCNJIKHYJPBJ-AAEUAGOBSA-N 400.375 1.714 30 10 HDEE CC1(C)CNCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282340672 IPPRVUOBQNKLMS-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CO[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415885 NTDGQBRUWIEARL-AAEUAGOBSA-N 402.347 1.429 30 10 HDEE CN(C)[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506570 UIMREPXOCVTLAD-UONOGXRCSA-N 400.375 1.559 30 10 HDEE Cc1nc(S(=O)(=O)N(C)CC2CSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282510321 XBKUKQATWKHELY-UHFFFAOYSA-N 401.363 1.011 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O 2282581389 HJHIDGJLILFQOY-GXSJLCMTSA-N 402.347 1.302 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(OCCCO)C3)c2Cl)OC1(C)C 2282660607 BBYWYIWRSBFDSX-UHFFFAOYSA-N 401.721 1.924 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CC[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839959 KMIDWLYXZCSSKX-STQMWFEESA-N 401.359 1.795 30 10 HDEE C#CCN(CCOC)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282842556 AAXQZVKTPHYPMS-UHFFFAOYSA-N 419.761 1.971 30 10 HDEE CC[C@H](COC)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843207 JXIAWELXTGSIIU-GFCCVEGCSA-N 404.363 1.629 30 10 HDEE COCC[C@H](COC)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850732 SINKSLBVADCLQH-CYBMUJFWSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC(C4OCCO4)CC3)c2)OC1(C)C 2282857833 NMQBZYQXAJGEFY-UHFFFAOYSA-N 423.340 1.759 30 10 HDEE CCCN(CCC)S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 2284118302 HNRXKZBKCIKUHH-UHFFFAOYSA-N 403.379 1.899 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(NC(=O)OC(C)(C)C)C1 2300274611 UPNJAUJQGLKHSR-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE O=C(O)CCc1nnc(S)n(N=Cc2cc(Cl)c(O)c(Cl)c2O)c1=O 2323028620 GSQCAQGRKVSBMU-UHFFFAOYSA-N 405.219 1.544 30 10 HDEE CCCOC(=O)CSc1nnc(COC)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2331613407 IVSVEUXBZVXBMU-UHFFFAOYSA-N 409.424 1.966 30 10 HDEE COC1(C#CC(=O)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2338343835 PSZXUILFGWADCJ-JOCHJYFZSA-N 401.459 1.918 30 10 HDEE COC1(C#C[C@@H](O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363515291 YMLHSMZQUKUONP-CVEARBPZSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2365199083 LFWVOAHYDIEQOE-OWCLPIDISA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C(C)(C)C 2365209284 FPVPOYKGRHMOBM-BIENJYKASA-N 402.557 1.537 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2372804668 PGZXWPOBWJMTLU-RDTXWAMCSA-N 404.529 1.810 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(C)=O)cc2)n1 22628989 QMQSPIMHMWJVSM-UHFFFAOYSA-N 400.460 1.548 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)cc1 24678557 AARKRUFOFSUGMU-UHFFFAOYSA-N 403.435 1.448 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)CC2=O)c1 219944673 MDXWPVOBOJDZNC-YOEHRIQHSA-N 407.430 1.390 30 10 HDEE COC[C@](C)(CCO)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 438508350 XRMJRXYAKPEUJR-ZHRRBRCNSA-N 418.538 1.733 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ncoc2-c2ccc3c(c2)OCCO3)CC1 460801573 YEAKORBLBLRHNZ-UHFFFAOYSA-N 412.446 1.173 30 10 HDEE CN1C(=O)C[C@H](NCC(=O)N(CCC#N)CCC#N)[C@H]1c1ccc(Cl)c(F)c1 493983118 CYYJAZAHIWVHQO-QFBILLFUSA-N 405.861 1.996 30 10 HDEE Cc1cccn2c(=O)c(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)cnc12 505668995 MIUYFONPSLWEJG-SFHVURJKSA-N 401.426 1.800 30 10 HDEE C=CCn1c(COCC)nnc1N1CCN(c2ncc(C(=O)OCC)s2)CC1 508798868 YCHCPKOEWSOQFW-UHFFFAOYSA-N 406.512 1.960 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nc(C)cc(OCC)n2)CC1 508803259 WAFACNZWESGCTO-UHFFFAOYSA-N 409.498 1.688 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](COCC)C1 508921656 MINIOEZZKMGJFF-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CNC(=O)c1cc2c(s1)CCCC2 537153453 GHJKFTFDPDSKDW-UHFFFAOYSA-N 400.508 1.625 30 10 HDEE CCC(=O)N[C@@H]1CCCN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 540548125 CIJRQWMPRZPDQG-SJORKVTESA-N 403.552 1.448 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 541653041 SNODWBIKRGTPMM-ZDUSSCGKSA-N 403.416 1.824 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1c1ncccn1 545895939 OHZVZHGRIMKKPW-JLSDUUJJSA-N 408.510 1.882 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)CC2)n1 546189692 CPOUCNGEGLKSGZ-OAQYLSRUSA-N 420.517 1.552 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 549291208 KPVAOARXZAMBOX-RLFYNMQTSA-N 413.544 1.239 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC3CC3)n2Cc2cccs2)CC1 549947907 FDTPTIMNLXLEMT-UHFFFAOYSA-N 400.552 1.765 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 552741880 JIIWQCAJENTWSE-UHFFFAOYSA-N 412.450 1.597 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 556536728 BSCBAQCIGODVIL-UHFFFAOYSA-N 421.432 1.529 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc(-c4ccccn4)n3C[C@@H]3CCOC3)CC2)n1 559233245 RIHQBNBAVGJVKK-KRWDZBQOSA-N 416.489 1.970 30 10 HDEE C[C@H](C(=O)NCc1cccc(N2C(=O)N[C@](C)(C3CC3)C2=O)c1)n1cnc(C#N)n1 569993273 HWIOEFWZJNZDCB-MPBGBICISA-N 407.434 1.252 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)ccc1C#N 573395460 QHXGYPNGBWKZBA-INIZCTEOSA-N 405.501 1.608 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1C[C@H]1CCOC1 583612985 LCXUESOIVVGFKQ-MRXNPFEDSA-N 416.507 1.006 30 10 HDEE N#Cc1nccnc1OC1CCC(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2)CC1 585356092 VRMPOTIEWRXRBB-UHFFFAOYSA-N 420.422 1.854 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 603800461 WDOYCIKVKOAEAU-QGZVFWFLSA-N 411.527 1.508 30 10 HDEE CN1CCN(C(=O)CC2CCN(C[C@@H](O)COc3ccc(CC#N)cc3)CC2)CC1 610987494 PIJBUNCZJBQKJN-OAQYLSRUSA-N 414.550 1.368 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NS(=O)(=O)c2ccc(C#N)s2)C1 711779432 NIKGOLKSQAZCKN-MRXNPFEDSA-N 401.510 1.660 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c(C)c1 727414993 GHGOPZALGVZNBN-UHFFFAOYSA-N 405.479 1.891 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2SCc2cscn2)CC1 728533923 VHYKHGCJXVYZMZ-UHFFFAOYSA-N 414.556 1.943 30 10 HDEE C#CCN(CC(=O)Nc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 729266866 QJLCBLIBZBNFRH-LBPRGKRZSA-N 403.273 1.649 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 732465471 FVHVBZWJTOIRNW-FMQUCBEESA-N 409.446 1.637 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccn1 732495827 HQXVELOIROQHDS-APWZRJJASA-N 417.425 1.205 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccccc2NS(=O)(=O)C(F)(F)F)CCN1C1CC1 732766057 MKUPJOCBOOHMER-GFCCVEGCSA-N 402.398 1.760 30 10 HDEE C=C(COC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C)C(=O)OCC 734023503 TWPYOZRIVLPEKN-UHFFFAOYSA-N 423.491 1.419 30 10 HDEE Cn1c(=O)c2ccc(C(=O)OCc3cc(Cl)ccc3OCC#N)nc2n(C)c1=O 735340433 GZPLGDDSSYSGNX-UHFFFAOYSA-N 414.805 1.545 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 742401604 ZAGBMKYGGODIMH-HNNXBMFYSA-N 403.439 1.745 30 10 HDEE Cc1cc(C)c(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(O)n1 742492550 JQIQJVNXFKCUSU-CYBMUJFWSA-N 402.476 1.538 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCn2ccnn2)c1 752518652 SXLGFXPIORBRDF-LTGZKZEYSA-N 405.484 1.303 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC)c(OC)c2)c1=O 758062623 UIHFSAMMPWMBBJ-UHFFFAOYSA-N 422.506 1.823 30 10 HDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 769649891 AGOOEEGRRVYIIS-MRXNPFEDSA-N 424.592 1.814 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 773570018 UIQOPKHVQKVKGG-CVEARBPZSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)Nc1cccc(I)c1)[C@@H]1CCS(=O)(=O)C1 774015099 HTPVOAIYYAVJSW-CYBMUJFWSA-N 418.256 1.945 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1-c1ccccc1Cl 777249060 PGWYBKRGZBGRDD-HNNXBMFYSA-N 412.881 1.971 30 10 HDEE CCCC[C@@H](ON=C(C)C)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 781076258 IAFSMXOPNZPCJE-QGZVFWFLSA-N 424.523 1.717 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2=NN(c3ccccc3)[C@H](C(C)=O)C2)n1 790106168 UUQAPTIFVJCJBZ-NRFANRHFSA-N 407.474 1.715 30 10 HDEE COCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802494304 AOOQTOMNHPMOOP-LJQANCHMSA-N 423.521 1.970 30 10 HDEE C#CCC(CC#C)C(=O)O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 803699673 MBCWSNXPFDPWDU-OAHLLOKOSA-N 404.488 1.906 30 10 HDEE COCc1nc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)co1 809124551 JGSKEKJSIJMERP-UHFFFAOYSA-N 418.200 1.713 30 10 HDEE C#Cc1ccccc1CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 809997360 VZFJAPHIWFVPQT-UHFFFAOYSA-N 404.513 1.609 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H](C)CN2CCCC2=O)C1=O 917700037 BXQSKHXTWLUKON-CZUORRHYSA-N 413.503 1.637 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCO[C@]4(CCOC4)C3)C2=O)cc1 1127534581 UGFJRGJNKKIOJI-LUQKVYGDSA-N 412.446 1.218 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@@H](CC(C)C)C(=O)N1CCOCC1 1130118562 AZUYSUGCNGSMLP-SFHVURJKSA-N 402.495 1.598 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCN(Cc2ccccc2)C1=O 1137537380 MZHDCKQLPCYWIV-AEFFLSMTSA-N 404.474 1.434 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)OCc2ccccc2)cc1 1139226884 FIQVRESISWBKED-MSOLQXFVSA-N 413.430 1.194 30 10 HDEE C[C@]1(C2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2)NC(=O)NC1=O 1147998484 LRHASISYEBLYFB-GOSISDBHSA-N 419.279 1.700 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1153325974 JQWVILGWIKUDFJ-GOSISDBHSA-N 411.506 1.777 30 10 HDEE N#CC1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)CCSCC1 1153448361 URQMCZSCXJPSIF-UHFFFAOYSA-N 411.505 1.389 30 10 HDEE C=CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)[C@@H](Cc1ccccc1)C(=O)OCC 1154301742 RGUQWPIXHXQECL-INIZCTEOSA-N 409.450 1.496 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1162107091 DODBQXHKCXLKSE-INIZCTEOSA-N 414.531 1.958 30 10 HDEE C[C@@H](CC(=O)NCc1cc(=O)c2ccccc2[nH]1)/N=C1/NS(=O)(=O)c2ccccc21 1175081002 KPDUGFFSYJGFTK-ZDUSSCGKSA-N 424.482 1.662 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)CC1 1215520857 LTDHDKQRBLAKDP-AWEZNQCLSA-N 419.453 1.889 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)OC)cc1OCC(F)F 1219517772 MAQMRFQDYZPXSG-UHFFFAOYSA-N 406.407 1.839 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1 1220655112 AJOKGTUCEJQBDN-UHFFFAOYSA-N 405.307 1.288 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)CCOCC1 1230109880 QMSFCQQORNEJDC-UHFFFAOYSA-N 412.534 1.756 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 1230271255 CNBPJRUVNGAJFY-UHFFFAOYSA-N 424.914 1.334 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)nc1 1273807259 VDESILVTCDJUOR-UHFFFAOYSA-N 407.473 1.815 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@](C)(O)CC)c1 1286309366 KSNHTYVDDHUANR-JOCHJYFZSA-N 419.489 1.952 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286359960 ADLMUOPXRYCLGP-FZKQIMNGSA-N 409.512 1.075 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCc1nnc(C)s1 1286377780 GHCHEUUAHUHBIS-UHFFFAOYSA-N 401.521 1.742 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1286390991 FXNASAZKLVMOAE-CQSZACIVSA-N 402.467 1.487 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286392484 HHXPOERBXOCMQB-IRXDYDNUSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(C)CN(C)C1=O 1286404431 SNYYMYKZDKXZFG-QHCPKHFHSA-N 421.501 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1286552942 BPGVELJLJYPWDX-AOIWGVFYSA-N 419.526 1.058 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1286612772 YCCJOBHNGFATME-SJORKVTESA-N 403.527 1.870 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)C1 1286809735 VHRHMQWOYNOULW-IAGOWNOFSA-N 416.526 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OC)C1 1286821491 NGSGGZAQHNQDPR-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286836611 OVPQXXJPNJKJHV-GJZGRUSLSA-N 416.569 1.156 30 10 HDEE CC(C)COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287836729 NYMHYAAKWFVIID-GOSISDBHSA-N 417.558 1.656 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1288976820 FQHXOZOPOKZNKQ-GUYCJALGSA-N 414.432 1.981 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1([S@@](C)=O)CC1 1290858045 FPNYNYNWGDJIDF-MUUNZHRXSA-N 402.499 1.835 30 10 HDEE CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1295161845 KYMHTHFMYZZZDF-DLBZAZTESA-N 421.498 1.815 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC1(OCCOC)CCOCC1 1297156584 DBLPIKQKVSBESM-SFHVURJKSA-N 411.478 1.469 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H](CO)CN2CCCC2)nnc1-c1ccco1 1298752200 SKDVPWUSPAZNEN-OAHLLOKOSA-N 405.524 1.779 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1299210838 QWSSSVHSVPOOTE-AVRDEDQJSA-N 424.505 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@H](C)CC 1300302711 CXXUXAALTLGTET-KGLIPLIRSA-N 400.483 1.769 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1cccs1)[C@@H]1CCS(=O)(=O)C1 1300493912 XDIAMQHEVQKAQE-DNVCBOLYSA-N 420.560 1.751 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@H](C(N)=O)C1 1300869647 NJLWJSDWTCVHAJ-NCOADZHNSA-N 407.515 1.295 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300990828 IDHYQMVXASQSIY-SJORKVTESA-N 418.542 1.565 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCOC[C@@H]2C)C1 1301555696 CYLGNXCBROQRFR-BSDSXHPESA-N 424.567 1.634 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1 1302924174 IZGRBFFIYICMPM-UHFFFAOYSA-N 414.531 1.662 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1302971011 PQIRYSWWZDQACL-SJLPKXTDSA-N 414.485 1.689 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCN=S(C)(C)=O 1303894547 TUFAXZGCZOHBIL-AWEZNQCLSA-N 414.553 1.128 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1307833227 COASXWXUTFZDTA-DLBZAZTESA-N 418.567 1.193 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCn1nc(C)oc1=O)c1ccc(Br)cc1 1309531201 HDROPQCXCWGMNK-CYBMUJFWSA-N 400.254 1.201 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1 1310426596 MJKAUQHDXFOQGS-UHFFFAOYSA-N 422.898 1.143 30 10 HDEE CC(C)C[C@H](NC(=O)N1CC(Oc2ccc(C#N)cc2)C1)C(=O)N1CCOCC1 1312913991 YCLAUJOSZXUURK-IBGZPJMESA-N 400.479 1.604 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1314343813 HTTPSAQJCITUCM-HNAYVOBHSA-N 403.462 1.657 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)CC1 1314496950 OSEHVDIBCCYXNK-SFHVURJKSA-N 411.554 1.925 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC[C@@](C)(C#N)C1 1314550170 VCIUWPUPWQBHJY-SFHVURJKSA-N 418.527 1.195 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)C1 1316343029 GQDUVDRSNWWTOC-HNNXBMFYSA-N 414.516 1.945 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(C(=O)NCC)CCC1 1358946645 CWKSOCSDSHOMHK-UHFFFAOYSA-N 419.489 1.970 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(CS(C)(=O)=O)cc1 1358947783 KTVPUYANWYKTAM-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1359015712 BTYHDUDPOLMIIO-QFIPXVFZSA-N 423.496 1.524 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359054274 PQMXBSDFHCJFBD-INIZCTEOSA-N 416.551 1.819 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359060699 FSRPIXONVYRUHB-INIZCTEOSA-N 424.530 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(CC)[C@@H](C)C1 1359104163 YTIQRYRMTKDOEO-UEXGIBASSA-N 416.570 1.912 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCOC)[C@@H]1CC[C@@H](C)C1 1359298828 MWLPHZMHMQPVEQ-OAGGEKHMSA-N 404.515 1.173 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2(F)CCC2)C1 1359313166 HUTSCLIHQRYGNT-HUUCEWRRSA-N 415.535 1.952 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCCN2CCC(O)CC2)C1 1359318183 YMHBKHDLMZFOCX-LJQANCHMSA-N 412.538 1.968 30 10 HDEE CC(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359934104 WFPSTIMFOLUOLQ-KRWDZBQOSA-N 407.478 1.010 30 10 HDEE C=CCN(C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)[C@@H]1CCS(=O)(=O)C1 1360055186 OLDVJTBBLTZRMA-LLVKDONJSA-N 402.398 1.802 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCC3)C2)n1Cc1ccc(C#N)o1 1360685904 PQTUJTZKSZPFFW-ZDUSSCGKSA-N 404.496 1.782 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1CC1 1443946504 PSPOYFBSNZXJLS-LLVKDONJSA-N 402.469 1.161 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC3(S(=O)(=O)N(C)C)CC3)ccc2c1=O 1455851727 WULKTBDKMLDUNU-UHFFFAOYSA-N 422.532 1.025 30 10 HDEE CC(C)C[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(=O)OC(C)(C)C 1457203242 UGEWMTIUVVMMPM-AWEZNQCLSA-N 419.482 1.533 30 10 HDEE CS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nn1 1462402098 FZHVSIGLOTUAPC-NSHDSACASA-N 419.850 1.397 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCN(c3ccccc3C#N)CC2)c1N)OCC 1464682568 COJXJAZTZFAUAJ-UHFFFAOYSA-N 412.494 1.698 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c3ccccc3c2)CC1 1467351406 FIWGPIWYMZMGOR-UHFFFAOYSA-N 402.476 1.466 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1469815833 WYJQSNDLTSPHRF-CQSZACIVSA-N 400.447 1.256 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1470519859 ZFXHYILVLKKTJH-UHFFFAOYSA-N 413.540 1.608 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1471069640 MKUSVNXUDMSIMW-CBGDNZLLSA-N 403.479 1.385 30 10 HDEE CNS(=O)(=O)NCC(=O)Nc1ccc2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1 1471651985 SKQSOOCPOOBPAH-UHFFFAOYSA-N 419.312 1.131 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCCC2)[C@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1472191750 KWFJFXXTFLGFBV-BXTJHSDWSA-N 423.535 1.563 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CSC3CCC4(CC3)OCCO4)CC2)o1 1473059359 GYJXRNOEOGBJSN-UHFFFAOYSA-N 406.508 1.922 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCCC2)n1 1492753649 DRVBAIIBPOALGT-LJQANCHMSA-N 412.542 1.745 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1494589992 GXIYCEXHQKEDSK-KKSFZXQISA-N 409.469 1.979 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCO)c(OC)c1 1495878109 HOUFHMKOTBPGJG-WBVHZDCISA-N 415.494 1.948 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)NC(C)(C)C)CCOC1 1502618212 HIPWKODSKMXKKS-YWZLYKJASA-N 406.531 1.973 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCN1CCN(CC)CC1 1503056920 GFNQLMJFKSOBGC-HXUWFJFHSA-N 407.538 1.674 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCC(C#N)CC1 1503407083 CXWGILFYSPGSAZ-UHFFFAOYSA-N 420.514 1.639 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1OC 1505123287 BFFGEJFQLATXQT-MUMXORNYSA-N 413.478 1.207 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507748907 TWKPKYQZAQBHRP-SJLPKXTDSA-N 414.531 1.980 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC)N1CCCC1 1507765987 WXYAWRYDFGNNAO-MBOZVWFJSA-N 422.599 1.755 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1507799334 WAJTZJSUNAFDKZ-QUCCMNQESA-N 410.522 1.993 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1507986002 SAVRENFKXAILJP-UHFFFAOYSA-N 416.507 1.386 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508090715 IKRAJFPRGJORAG-JOCHJYFZSA-N 424.505 1.184 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H](OC)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099467 YPOUTWXUENQXAR-IERDGZPVSA-N 421.542 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)OC(C)(C)C1 1508140219 KZRFASDYZFPTTR-CQSZACIVSA-N 406.512 1.340 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)CCCS1 1510187969 BFGPUSZHACNRRX-RCBQFDQVSA-N 416.548 1.616 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1517450108 CGXALJHSUDVBDI-VLIAUNLRSA-N 414.535 1.503 30 10 HDEE Cn1ncc(Br)c1CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1525126524 BWPBSPGJWUZKFZ-LLVKDONJSA-N 412.288 1.697 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1 1526520595 DREREOLNJVGSOL-RGCFKVTRSA-N 408.520 1.948 30 10 HDEE C=CCn1cc(C(=O)N(CC(C)C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)nn1 1529959179 IDBRKSSTYRJYRG-UHFFFAOYSA-N 423.477 1.660 30 10 HDEE Cn1nc(C2CCOCC2)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1534310070 KZFYDIYRACWJCE-HNNXBMFYSA-N 403.483 1.899 30 10 HDEE C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1537006401 TXQOQHGTJAUYLH-PVXIVEMSSA-N 402.394 1.869 30 10 HDEE C=CCn1ncc2ccc(NC(=O)c3cnc4c(c3CC)c(=O)n(C)c(=O)n4C)cc21 1538956615 VNVSHANFLGGSTN-UHFFFAOYSA-N 418.457 1.983 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NC(C)C 1539154362 DVZKPYPMPRJPNR-UHFFFAOYSA-N 401.467 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1539552300 NUKRNFYOBWCATD-HNAYVOBHSA-N 402.524 1.496 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2c3ccc(Br)cc3nn2C)CC1 1539702638 KWUJSEMXGBGZAE-UHFFFAOYSA-N 403.280 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2ccccc2)CC1 1540898567 NTIDRJTWXJRMFC-UHFFFAOYSA-N 417.535 1.586 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cnn3c2NCCC3)cc1 1541114074 BBSQGZQYSKKBKS-CJLVFECKSA-N 402.480 1.764 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CCCc1nc2ccccc2[nH]1)c1cc[nH]n1 1542495072 KLCADZLMKWDKQU-UHFFFAOYSA-N 412.450 1.661 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](C)N2C(=O)CCC2=O)n1 1546213274 OWIZJARJUFPBQJ-VIFPVBQESA-N 406.493 1.276 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC[C@](C)(C#N)C1 1552403701 UAUPSDZKNGABCZ-GOSISDBHSA-N 422.580 2.000 30 10 HDEE CSC1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1555864951 QQRSCEBZQDTQPV-HOTGVXAUSA-N 407.540 1.813 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOCCc2ccccc2)CCO1 1555994087 UJGZLWMEVRZGQS-RTBURBONSA-N 424.505 1.607 30 10 HDEE Cc1oc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 1556457487 HILNLFBIIMLRQN-HNNXBMFYSA-N 401.444 1.394 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1556911348 YWTHOBFJKISBSV-INIZCTEOSA-N 421.498 1.976 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)C2)C1 1557993648 GAUKNGMKOMTDOO-IBGZPJMESA-N 402.476 1.891 30 10 HDEE N#Cc1cn(CCC(=O)NCCN(Cc2ccccc2)c2ccccn2)c(=O)nc1O 1558242394 DEPNKJXORNYHDH-UHFFFAOYSA-N 418.457 1.429 30 10 HDEE CO[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@](C)(CO)C1 1560062913 JOPIKHFMEXQQDW-IRFCIJBXSA-N 404.486 1.006 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1565195628 DIPGPCKXELWZMT-MISYRCLQSA-N 403.548 1.586 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@H]2c2ncon2)C1 1566419140 LDMUGYXOOMJSRB-HNNXBMFYSA-N 418.251 1.740 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1569993476 CSEBIYUFVJNODJ-UHFFFAOYSA-N 408.501 1.588 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccns3)CC2)cc1 1583482428 ZNKTVITVIINNIV-UHFFFAOYSA-N 404.517 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)CC(=O)N4)C2)C1 1583971494 LSQYRVIDQQDZER-CHWWFWEZSA-N 402.495 1.654 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)c3cccc(C#CCO)c3)O2)C1 1584915245 LYMZYXRWQXJCFY-GOSISDBHSA-N 400.475 1.929 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CCCOC1 1587303050 OTKRFJZMECELGP-NRFANRHFSA-N 413.478 1.627 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1587569028 UPFLMYGVSKEYEB-QVKFZJNVSA-N 416.526 1.741 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)CCCC2)cc1 1587824980 MWGCNZSMNZZSTB-UHFFFAOYSA-N 410.518 1.373 30 10 HDEE C#CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587893772 HZXAXWGBRMGHGT-FXAWDEMLSA-N 424.567 1.746 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1588128601 PQKFWBDNHJHJGF-UHFFFAOYSA-N 415.457 1.193 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCC(=O)N2CCCCCC2)CC1 1588800539 JQDVDBYSMSBCPF-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)C1 1595664625 IATDGHDIDANJGU-CABCVRRESA-N 404.515 1.112 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1595812684 YTKABSITQWTTCT-HXUWFJFHSA-N 423.583 1.574 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(O)(C(F)(F)F)CC2)s1 1596375310 DXHYTIDLORWDIB-UHFFFAOYSA-N 412.455 1.671 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCCN(C(C)C)C1 1608399437 CDIDQWVXZBGIPX-JXFKEZNVSA-N 405.522 1.979 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(N)=O)c1 1611297513 GAYGSRNLMNNUSS-CQSZACIVSA-N 408.466 1.329 30 10 HDEE Cc1cn2c(n1)[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)CCC2 1612344952 GNAJDINGUFKOCC-CVEARBPZSA-N 412.498 1.228 30 10 HDEE CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1O 1616151228 CYHDANDCUQMWGN-IFLJBQAJSA-N 423.473 1.102 30 10 HDEE CCOCc1nnc(N2C[C@@H](N3CCOCC3)[C@H](CC)C2)n1Cc1ccc(C#N)o1 1616741371 OEDOWWOQFNGXER-VQIMIIECSA-N 414.510 1.875 30 10 HDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1617445079 XBQVXDCIZMHXDJ-ZYWUZIHQSA-N 417.491 1.059 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1617594478 BMXOUROTFZIOJQ-DLBZAZTESA-N 407.478 1.010 30 10 HDEE COCCN(C)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619879673 AXPXYYZGOVXDBT-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)NCc2cccc(OCC#N)c2)CC1 1621785609 FEMJOPXTGGXGOI-UHFFFAOYSA-N 410.496 1.476 30 10 HDEE O=C1CCc2cc(OC[C@H](O)CNC(=O)C(=O)/C=C/c3ccc(F)cc3)ccc2N1 1631326992 RYGWTJSOGIMPQX-SIHDSBSPSA-N 412.417 1.849 30 10 HDEE CC[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1631730126 KTIFBKNQSVKIBJ-CJNGLKHVSA-N 409.508 1.804 30 10 HDEE CCc1ccccc1-n1cc(O)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)n1 1631845796 HCNLYEAHGGJFHO-UHFFFAOYSA-N 407.434 1.824 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(Cc3cc(OC)cc(OC)c3)C2)C1 1632947861 PUQLSOMTHVXGBV-RTBURBONSA-N 400.523 1.675 30 10 HDEE C[C@](C#N)(NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)C1CCCCC1 1633855962 VGMNQQFCOQLWQQ-LAUBAEHRSA-N 402.470 1.707 30 10 HDEE O=C(CCC(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1)NCC#CCO 1634027206 RHVNTTGLTKHVGT-UHFFFAOYSA-N 417.509 1.793 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1634356119 UUTUEVLSNOYWJD-NFBKMPQASA-N 413.518 1.752 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNc2ccc(S(C)(=O)=O)cc2)n1 1634600993 HBTWWZBANBVEJF-UHFFFAOYSA-N 404.492 1.007 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccnc(Br)c2)c1 1634669832 HJPVJTKNARJIAJ-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(Nc2ccccn2)CC1)c1cc[nH]n1 1635042397 PLCCECKQTOBYEQ-UHFFFAOYSA-N 400.439 1.192 30 10 HDEE CC(C)CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1635421324 LZNRJMFXIAXFFQ-IEBWSBKVSA-N 423.521 1.853 30 10 HDEE CN1C(=O)C(C)(C)COc2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc21 1635597232 KDPQJBIOUVLXAC-HNENSFHCSA-N 412.446 1.923 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)NCC2(C#N)CCC2)C1 1636272239 WCZWFJHAGOHOLH-OAHLLOKOSA-N 407.515 1.743 30 10 HDEE COc1cccc(C(=O)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 1636496763 FJVRVHAJLSXIEY-ZDUSSCGKSA-N 401.444 1.233 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOC(F)(F)C(F)(F)F 1637401233 KAMXNARQMVNXAP-VIFPVBQESA-N 415.340 1.513 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCN(C)CC1 1638484056 GFODZKJVFSHIKR-UHFFFAOYSA-N 411.550 1.627 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C(=O)OCC)o2)C1 1640186394 IWMUKAVQEFKEAA-LSDHHAIUSA-N 408.476 1.481 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCCN1CCCCCC1 1641730212 DYVMLUZHZLONLC-QGZVFWFLSA-N 408.543 1.402 30 10 HDEE C[C@@H](c1ccccc1)[C@H](O)CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1642163179 HYYMXRXCEZRSKJ-HNAYVOBHSA-N 401.488 1.773 30 10 HDEE CC1(C)OB(C2CCN(C(=O)c3cn(C[C@H]4CNC(=O)O4)nn3)CC2)OC1(C)C 1643831682 ZBTQEFHSSGXICC-CYBMUJFWSA-N 405.264 1.085 30 10 HDEE Cc1nn(C)c(N2CCN(CCOCCN3C(=O)c4ccccc4C3=O)CC2)c1C#N 1645314201 ASFXJFOTPBKENQ-UHFFFAOYSA-N 422.489 1.035 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ncon1)C1CC1 1646080880 VPXJHHUIJJBGSN-KRWDZBQOSA-N 417.491 1.936 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC(C)(C)c2ncc(OC)c(O)n2)ccc1F 1646340347 QOYQCKJHHRDIQP-UHFFFAOYSA-N 424.454 1.459 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)CCC1 1648399664 LCUKUPZTTPUFDK-IRXDYDNUSA-N 419.547 1.959 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN(C)CC(F)(F)F 1649540451 WIEXRXQLRNYDSQ-YOEHRIQHSA-N 403.449 1.882 30 10 HDEE CC[C@@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccccc1OCC(=O)N1CCCC1 1650811209 ARVQIDYOWKLRNJ-MRXNPFEDSA-N 411.462 1.510 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1 1652162174 HXQQAEOJPCCKEZ-UHFFFAOYSA-N 408.487 1.281 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(F)F)CC2)CC1 1654471870 FGAZJLUMFLJDHK-ROUUACIJSA-N 410.440 1.891 30 10 HDEE C#CC1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CC1 1654837915 MERXIGGBYLUZQV-UHFFFAOYSA-N 417.531 1.067 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)c1 1654985166 ZHAQIWQRNAHMKK-IBGZPJMESA-N 409.425 1.585 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1655391523 GDJLIWRYWMCJJU-QRVBRYPASA-N 424.519 1.677 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C[C@@H](O)COc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F 1659409119 OIGWVOWCNWMXBV-FVQBIDKESA-N 406.426 1.400 30 10 HDEE CCS(=O)(=O)N(C)c1ccc(NC(=O)N(CCC#N)CCN2CCOCC2)cc1 1663459520 ACVWBTITNRULEX-UHFFFAOYSA-N 423.539 1.552 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 1668231536 PVWZCUCPCSSFEQ-QZTJIDSGSA-N 400.527 1.949 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)C1 1673070610 JCTUUHZFCZOOLU-CQSZACIVSA-N 401.510 1.912 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1681598206 QAELLEPKAKYIEL-LJQANCHMSA-N 418.563 1.508 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@H](CNC(=O)NCc3ccc(C#N)cn3)O2)C1 1682910792 VPPVWHLSXLBYNO-MRXNPFEDSA-N 401.467 1.921 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)NC(c1nccn1C)c1nccn1C 1684131763 WHQOIQLWDKCBHM-UHFFFAOYSA-N 407.478 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC(C)(C)C2(O)CCOCC2)C1 1686055023 GIGITSADNCVTOK-CABCVRRESA-N 410.515 1.612 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1 1687235422 CVBVVLDQKRQHEO-INIZCTEOSA-N 414.428 1.844 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1689849327 KJHGUIBTFPQNIR-FXAWDEMLSA-N 422.533 1.568 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1689941275 LJKDEWZOWGRORM-OXQOHEQNSA-N 403.483 1.373 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C(C)C)C(C)C)CC1 1690109080 GDZFFUWNGYWXJU-UHFFFAOYSA-N 415.586 1.388 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCSCC=C)CC1 1690146622 SFJRFLRZVHKWSS-QGZVFWFLSA-N 403.552 1.667 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCS(=O)(=O)C2)CC1 1690414880 OQDXKICROZESMO-GOSISDBHSA-N 418.567 1.977 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690512033 KHSSZGPWCRIACO-FQEVSTJZSA-N 424.549 1.751 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC2CC2)C1 1690694687 UAMJWNKZBTWITI-KRWDZBQOSA-N 417.535 1.946 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CC)C1 1690709767 LCOGHJSIEDBHRA-QZTJIDSGSA-N 402.543 1.666 30 10 HDEE CC(=O)N1CCCN([C@@H]2CN(c3nnc(C)n3Cc3ccc(C#N)o3)C[C@H]2C)CC1 1690828729 MRENIXMMGPXVGF-FOIQADDNSA-N 411.510 1.478 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n(C)n1 1693405296 HLMXELMRUNTCHM-XLIONFOSSA-N 415.498 1.138 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@]2(CCOC2)O1 1693772179 BQURJLPHGQKUGQ-YCRPNKLZSA-N 410.478 1.289 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694175875 LPZBTLQFNIVKQK-LTDXQCTPSA-N 402.499 1.791 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1OC 1705476878 GOUFHMWAKFDJQF-ZIAGYGMSSA-N 421.523 1.412 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705571521 AFAOCHAIDZCEEG-INIZCTEOSA-N 421.523 1.289 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1CCN(C(C)=O)CC1 1705602707 FDOPYQWQVWBQMA-UHFFFAOYSA-N 409.494 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCOC1 1705630500 VJFXFFNMTILRAI-JOCHJYFZSA-N 414.506 1.711 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CCS(=O)CC1 1705666807 XWLZXNYVGZEIBU-UHFFFAOYSA-N 408.524 1.931 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](F)COC)C1 1711317267 ACXNOSVLKLAPLB-UZLBHIALSA-N 400.458 1.764 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1722293842 TWCUJMYUDMDXMN-CJNGLKHVSA-N 419.489 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1722301929 OZCLFONSEITLPB-SFHVURJKSA-N 414.554 1.503 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)C(=O)C1 1722316150 CNXIUAKKINNMGJ-QGZVFWFLSA-N 421.567 1.288 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1722324356 PZMLDMFELBHOGR-CQSZACIVSA-N 418.523 1.037 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC(F)(F)C1 1722353437 VWZWITGJIAEULS-UONOGXRCSA-N 417.482 1.116 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1722365187 CJSDJVQENFJNBA-RKOGDMNLSA-N 424.592 1.474 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1 1722426374 AYXQQKZUJUIMNI-MRXNPFEDSA-N 401.442 1.361 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCS(=O)(=O)c2ccccc2)CC1 1722442165 UDAZWWAOBUVHLR-UHFFFAOYSA-N 417.535 1.044 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCCCS1(=O)=O 1722467790 CVCNLJORUCMLMC-ABSDTBQOSA-N 424.567 1.962 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722484183 PIDIUEWXUOFMLE-CHWSQXEVSA-N 405.300 1.907 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1722557724 ZRFYNWKCLVKWFB-KGLIPLIRSA-N 403.936 1.443 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOc2ncccc2F)CC1 1722566166 LIKCLSXJSDFSJV-HNNXBMFYSA-N 421.498 1.950 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CC=CCC1 1723939999 ALCBMULMQWRSIE-APWZRJJASA-N 421.571 1.280 30 10 HDEE Cc1c(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cnn1CC(C)C 1724137254 VIDURFHFMHQPBZ-DLBZAZTESA-N 412.498 1.167 30 10 HDEE CC1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1726590125 HJRQROJWFQGTAR-IRXDYDNUSA-N 403.531 1.265 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C1CC1 1730872360 YLEZCCCKEFBXFX-OAHLLOKOSA-N 414.514 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)CCOC 1740638721 NNMWVOCVHCFTJP-JOCHJYFZSA-N 420.473 1.454 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1740664045 YJKISQUAXKVLDT-NRFANRHFSA-N 419.526 1.060 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1740668079 BUEYQBQVOWHQNT-HUUCEWRRSA-N 404.515 1.944 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCC(=O)NCc2ccccc2)CC1 1740695386 PDPILWZHOUBVIH-UHFFFAOYSA-N 417.517 1.735 30 10 HDEE CC(C)Oc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1 1741737080 AKUSBUPYHAWGNK-LJQANCHMSA-N 424.505 1.965 30 10 HDEE CN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1747931414 FWSDEUGQWZZEAL-ZIAGYGMSSA-N 402.421 1.395 30 10 HDEE C#CCCCCn1c(N2C[C@H](C)O[C@@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1748727251 MVWYBEACZCOSBT-UEXGIBASSA-N 406.527 1.974 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC(C)C)CC1 1748730838 VPXQHLMXXVFVIB-UHFFFAOYSA-N 404.515 1.744 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1748732085 SFASIDSNYJAEAQ-FRRDWIJNSA-N 407.462 1.936 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1748759423 KHXBPZIVNBHNMN-OAHLLOKOSA-N 412.519 1.494 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749363499 FLKPSMRHUJYIOM-CABCVRRESA-N 409.556 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1749658205 HXUIEQYZVNWGSJ-MOPGFXCFSA-N 406.490 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CC[C@H](SCC)C1 1749666949 RROSVOURWGBQDC-KKUMJFAQSA-N 406.556 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)C[C@H]1CCCOC1 1749732314 VMFCBGRJOBAWBT-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCCCCO)CCO2)c1 1750382836 YDMNIJMOMYTNQX-MOPGFXCFSA-N 424.505 1.841 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1760095730 XLXVCIFDEAYEEU-OAHLLOKOSA-N 410.478 1.879 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](CN2CCOCC2)C1 1760144478 QMWHIWJNXRIMOK-GOSISDBHSA-N 416.570 1.768 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1=CCN(C(=O)OC(C)(C)C)CC1 1760171658 NUHTWKBDYPHCEN-INIZCTEOSA-N 414.510 1.866 30 10 HDEE C#CCN(c1nnc(C)n1CCC(=O)NC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1760180339 CJNOGJRXKYXRLU-QGZVFWFLSA-N 407.540 1.052 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760190077 XYASOKBKSJBMKX-SQNIBIBYSA-N 422.551 1.573 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1760278718 FDARJCPRCXOWCM-QGZVFWFLSA-N 412.523 1.356 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C 1760329364 AMOQCCZXLIMLBI-CQSZACIVSA-N 409.560 1.689 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760445261 FFOCIOBNXHJAKT-UZLBHIALSA-N 407.515 1.393 30 10 HDEE CC(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1760675636 PPHHQOPUHLZUDD-HXUWFJFHSA-N 410.482 1.582 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1760695107 AVFFZICOIRHUPG-GVDBMIGSSA-N 408.572 1.508 30 10 HDEE CN(C)C(=O)CCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1768438697 CAIDDEBBUICNFJ-CQSZACIVSA-N 418.448 1.744 30 10 HDEE COC1(C(F)(F)Cn2c(C)nnc2N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1769697760 JSTYGUWEJSHUQU-INIZCTEOSA-N 410.469 1.594 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1769845605 PIYCCWXDWKFFLH-LJQANCHMSA-N 424.505 1.717 30 10 HDEE COCCOCCCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1770148873 QXQHVEBWQUHQAJ-HNNXBMFYSA-N 421.448 1.929 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCC[C@H]1C 1770201657 BAKKLOBXTKRTQP-YLAKUSLOSA-N 406.506 1.928 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C)C1=O 1848942074 WBECSMXOYIAJDB-GOSISDBHSA-N 421.563 1.898 30 10 HDEE C=CCN(C(=O)CCc1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C)[C@H]1CCN(C)C1=O 1849691102 IZJDGDYQBIRNFI-AEFFLSMTSA-N 422.551 1.037 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1ccc(CN2Cc3ccccc3C2=O)cc1 1851352191 ZCZHVSJKBXZPEB-UHFFFAOYSA-N 403.482 1.908 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N(Cc3ccc(C#N)cc3)c3cnccn3)C2)no1 1852033244 HDLONURWTGVJTO-UHFFFAOYSA-N 402.414 1.950 30 10 HDEE COc1ccnc(NC(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)c1C#N 1852251052 ZQPCKINBJWFKJM-UHFFFAOYSA-N 407.430 1.518 30 10 HDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)CN1CCOC1=O 1852967505 FEAGNNYQNZKATM-UHFFFAOYSA-N 423.170 1.497 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ncccn1 1853094445 UMRZEXFVKIOFLB-UHFFFAOYSA-N 405.480 1.701 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccccc4)C3=O)CC2)CC1 1853675579 KWVOXKBUXFFZLH-FQEVSTJZSA-N 408.502 1.902 30 10 HDEE Cc1ocnc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854197009 XTICYWSWPHMCMA-KRWDZBQOSA-N 411.437 1.553 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cncc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854645725 KRBWMIIVVPNGMB-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C[C@@H](C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854798400 GQQITRFNFCKHQS-YJBOKZPZSA-N 408.462 1.382 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCc3c(ncn3C)C2)CCN1Cc1ccc(C#N)cc1F 1854995416 GMEFMGIJWJAQKY-GOEBONIOSA-N 409.465 1.795 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)[C@@H](C2CCOCC2)C1 1855104233 MJBGGPJNYNEFEA-WOJBJXKFSA-N 411.506 1.127 30 10 HDEE C=CCCN(C)[C@H]1CCCCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855252323 DUAARAXOUHOHBY-WMZOPIPTSA-N 411.568 1.606 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3ccc(OC)c(F)c3)C(C)(C)C2=O)CC1=O 1856153505 IACJDQMVEJEOCO-INIZCTEOSA-N 417.481 1.818 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN([C@@H](C)CCC#N)[C@@H](C)C2=O)cc1 1856281975 FEDIBKDOCZIIDP-HOTGVXAUSA-N 421.519 1.611 30 10 HDEE CN1C(=O)CC[C@H]1CN1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856318582 WTERFRZASZIIHM-HKUYNNGSSA-N 409.490 1.275 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(Br)cn3)C(=O)C2)C1 1856872706 YKRDRPMSUWWSJB-OAHLLOKOSA-N 407.312 1.779 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ncoc2C2CCC2)C1)[C@@H]1CCN(C)C1=O 1857270647 PSMZODWSEHKEBF-GDBMZVCRSA-N 400.479 1.650 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cnc3ccccc3c2)C1)[C@H]1CCN(C)C1=O 1857273799 AMBLFPNZMCPMFJ-JXFKEZNVSA-N 406.486 1.942 30 10 HDEE NC(=S)N/N=C\c1cn(-c2ccc(N3CCOCC3)cc2)nc1-c1cccnc1 1857807707 WXKJVOMZSKEABV-QRVIBDJDSA-N 407.503 1.938 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)N(C)CCC#N)CC1 1858634824 WTAMJAYJZYFDCV-UHFFFAOYSA-N 414.915 1.027 30 10 HDEE N#Cc1c2c(c[nH]c1=NCCc1ccc(S(=O)(=O)N3CCOCC3)cc1)CCC2 1859802101 LEUZOGBDVUSINX-UHFFFAOYSA-N 412.515 1.539 30 10 HDEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)NCCCN2CCOCC2)CC1 1860607663 BHBVLDGNVWUBDY-JOCHJYFZSA-N 417.550 1.574 30 10 HDEE C[C@@H](O)Cn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870349531 QYWQKDVUNXMDDP-MRXNPFEDSA-N 424.501 1.377 30 10 HDEE C=CCOc1cn(CCOCCO)c(CNc2cccc(NC(C)=O)c2)cc1=O 1870812268 AKANZYHRMNBWSD-UHFFFAOYSA-N 401.463 1.993 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3C(F)(F)F)CC2)CC1 1889238547 FYAQBBRMVZVXKS-UHFFFAOYSA-N 424.467 1.972 30 10 HDEE CN1CCN(C[C@@](C)(O)C(F)(F)C(F)(F)F)[C@@H](CNC(=O)C(F)(F)F)C1 2162904551 PADBJOHWUZCFOC-WCBMZHEXSA-N 401.298 1.230 30 10 HDEE C#CCN(C(=O)C[C@H](C(F)F)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180137200 IZATXBXULRBYMG-QWHCGFSZSA-N 408.467 1.526 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3cc(F)cc(F)c3)s[nH]2)OC1(C)C 2185663609 RTCZSBPCIMGDCA-UHFFFAOYSA-N 403.241 1.338 30 10 HDEE CC[C@@H](C#N)S(=O)(=O)NC[C@@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471502 BWQJSCYJTZRGAK-STQMWFEESA-N 410.487 1.394 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@](C)(CN)C[C@@H]2CCCS2(=O)=O)[C@H](C#N)C1 2194924776 JAXJRVMDTSZMGM-VKJFTORMSA-N 400.545 1.116 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)[C@H]3C[C@@H](C(C)(C)C)C3)s[nH]2)OC1(C)C 2240465230 VLTYPZGOLVWQLL-PHIMTYICSA-N 401.363 1.826 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@H]1C[C@H]1NC(=O)OC(C)(C)C 2243426299 WSCZMIGULRHRRY-UONOGXRCSA-N 405.304 1.720 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247677456 MLSGKAQGRYYMPV-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCS(=O)(=O)C(F)(F)F)cs2)OC1(C)C 2282194647 CDTWBBSKPMMFDT-UHFFFAOYSA-N 413.248 1.712 30 10 HDEE CC[C@@H]1CNCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331533 OVDWYBPDOODCSB-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@@H]1O 2282340762 JOBXHKOLTBROMS-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@]23COC[C@@H]2C3(F)F)OC1(C)C 2282347314 WKHZENNWAZRTIP-HZMBPMFUSA-N 407.269 1.360 30 10 HDEE CN(C)CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282410160 VMIHRUMZTMCCNF-UHFFFAOYSA-N 402.753 1.821 30 10 HDEE CC(C)[C@H](N)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282496317 YSPVXWZDNIEQRU-CQSZACIVSA-N 402.391 1.840 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSCCCO 2282830417 UETKHFMMUYDDMV-UHFFFAOYSA-N 421.415 1.750 30 10 HDEE Cc1cc(S(=O)(=O)NCC(C)(C)C(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282837472 VABAMDGBUSIJEC-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CC1(C)C[C@@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854259 PIIOYANKYNFZAL-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCNCC2)OC1(C)C 2282855359 COVRTALWUAVDQT-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)OC1(C)C 2282884271 MDBLQDFMTROUIG-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](C4OCCO4)C3)c(O)cc2O)OC1(C)C 2282969092 YUHCKNMZFODIPS-LBPRGKRZSA-N 405.256 1.232 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)CC(=O)O 2284398610 ZVUOKHGSTYKJFR-JTQLQIEISA-N 403.331 1.839 30 10 HDEE CC1(CC(=O)O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2284405757 PEBHDJDJVKCKEN-UHFFFAOYSA-N 401.315 1.533 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C(=O)O 2284408044 RTWWQFJPEPEMSR-NEPJUHHUSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3ncc(C(=O)O)o3)s2)OC1(C)C 2284408407 WEUQUWACIQVXIY-UHFFFAOYSA-N 400.243 1.534 30 10 HDEE C[C@H](CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H](F)C(=O)O 2284408680 BAEIKSUHGBMPMH-MWLCHTKSSA-N 407.294 1.384 30 10 HDEE CCSC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284412806 XVQUDNFBNIFGNM-JTQLQIEISA-N 421.371 1.532 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)C1 2309774653 RRAVLWBTTLOOAS-XLAORIBOSA-N 404.492 1.466 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535131 SLHLBEWJZDDFGO-SJLPKXTDSA-N 424.354 1.970 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365170626 UFUWGEQJFRWOPR-HIFRSBDPSA-N 401.525 1.779 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 2365210141 JLDIIDZOSRVHPM-OAGGEKHMSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CCC(NC(=O)OC(C)(C)C)CC1 2365213244 VWXNWLUPWGHLGU-XAUUPUKJSA-N 402.557 1.599 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367795122 KXMRXOUTVAKHEG-BZUAXINKSA-N 400.541 1.427 30 10 HDEE COc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)ccc1OCC(N)=O 20413327 SXASRVFTVZOMKW-KRWDZBQOSA-N 415.475 1.895 30 10 HDEE CCCOC(=O)CSc1nnc(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1N 20919953 DXOZJOXWOTVNJY-DJKKODMXSA-N 424.483 1.509 30 10 HDEE N#CCCNCCN(CCN(CCC#N)CCC#N)CCN(CCC#N)CCC#N 22594704 XMDDYKOYALNFJV-UHFFFAOYSA-N 411.558 1.050 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 22812988 YQSHUMOTLFLEQQ-CQSZACIVSA-N 414.428 1.832 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 24242732 OOPFAYVLPBBIQB-AWEZNQCLSA-N 402.322 1.653 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCN(c2ncccc2C(F)(F)F)C1 47299388 UXRYOWPRLASTEL-GFCCVEGCSA-N 414.384 1.872 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)Cn1ncc(Br)c(Br)c1=O 53742678 ADZNYKPLICZPIO-MRVPVSSYSA-N 406.078 1.776 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)n3nc(C)cc3C)n[nH]2)cn1 59886912 ZYAWVHPMFFLNDH-REZTVBANSA-N 403.472 1.339 30 10 HDEE COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(F)(F)F 254372541 OOKPZKSDHRRHNT-NEPJUHHUSA-N 408.423 1.953 30 10 HDEE N#Cc1cc(Br)ccc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 302156139 IVJMFPYHROZCLG-UHFFFAOYSA-N 415.313 1.020 30 10 HDEE N#Cc1ccc(C(F)(F)F)c(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 302248244 VAXWDOJGYVKOOH-UHFFFAOYSA-N 404.414 1.276 30 10 HDEE CCCNC(=O)[C@H]1CN(C(=O)C(=O)NCC2CCC(C#N)CC2)c2ccccc2O1 443349561 VDZGGPMDUADTSW-LADRWXRNSA-N 412.490 1.753 30 10 HDEE CCO[C@@H]1C[C@](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)(C(=O)OC)C1(C)C 444559961 COJPGRXOIXRADB-IERDGZPVSA-N 411.462 1.803 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446519463 AKAIUMQYHAJPIV-FZMZJTMJSA-N 408.388 1.605 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCO1 461138751 GGHGQBKETJSHRY-HZPDHXFCSA-N 419.493 1.829 30 10 HDEE CCOc1ccnc(N2CCCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)n1 489728398 ZDSUOZNGCMTJMW-UHFFFAOYSA-N 402.480 1.351 30 10 HDEE CN(C)[C@@H]1CCC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 489759337 IJXUQDVJCNEGCO-QZTJIDSGSA-N 419.551 1.447 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(C)cc2Br)CC1 492289262 DPNZSZDEPVYIEU-OAHLLOKOSA-N 424.339 1.971 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1 503626302 GTIUCBQIMRYSHH-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE CCCCN(C(=O)CN1CCC(C)(C#N)CC1)c1c(O)nc(=O)n(CCC)c1N 506018495 WLFNGLVLYWLJLF-UHFFFAOYSA-N 404.515 1.700 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 508470824 DPZXOUAHBZJNKA-MRXNPFEDSA-N 423.477 1.915 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NC(C)C)CC1 508471746 HIROIIJECRFRDF-IBGZPJMESA-N 410.522 1.787 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@H](C)C1 509000354 JWAPQDJXCGKBJP-MRXNPFEDSA-N 409.498 1.264 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CCS(=O)(=O)c3cccc(C#N)c3)C2=O)C(C)(C)O1 513787749 DZDOVGNUZKIABC-LJQANCHMSA-N 405.476 1.600 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ccc4nccn4c3)C2=O)cc1 520446272 FKKUWZXWFWVKHS-KRWDZBQOSA-N 402.414 1.456 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)NC2CCCC2)nc1C 526847521 YUWCSCCGGODROQ-MHZLTWQESA-N 413.521 1.540 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)n1 531064076 MZQLPEJJNBEWBF-UHFFFAOYSA-N 406.899 1.579 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1 531161546 RQYGCYWMZPDZMS-UHFFFAOYSA-N 411.443 1.714 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 540604397 TYNKDUQEQIPYLY-CQSZACIVSA-N 402.480 1.833 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)C(=O)c2ccc(F)cc2)CC1 541579797 CJDVYLHVFNNKKC-UHFFFAOYSA-N 401.419 1.413 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](NS(=O)(=O)CC3(C#N)CCCC3)C2=O)c1 546064019 XAYCATWVAHXXKY-KRWDZBQOSA-N 407.492 1.812 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCn3nc(O)c4ccccc4c3=O)CC2)n1 546876190 GNURDRSJPWSQLC-UHFFFAOYSA-N 404.430 1.108 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 549724916 RIYGRJJJAQLXQV-UHFFFAOYSA-N 404.398 1.958 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CN1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 569177356 HGFHQGXBOOXBSY-KRWDZBQOSA-N 422.942 1.573 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 569298636 NSYWZLVZYKZZIA-GOSISDBHSA-N 405.462 1.375 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@H]2CCCO2)CCO1 573333078 YALHXMRZSDUEHH-ZIAGYGMSSA-N 407.434 1.502 30 10 HDEE COc1ccc(Cl)cc1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 585765134 OFENIKFLIDFAHS-UHFFFAOYSA-N 413.865 1.580 30 10 HDEE CCOC(=O)c1sc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)nc1C 586860521 IINBZOUCLGQSHA-UHFFFAOYSA-N 404.423 1.572 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)CC1 594669419 MLAHBQKMEIJLAQ-SFHVURJKSA-N 407.499 1.817 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)CCC(=O)Nc3nnc(C4CC4)o3)CC2)nc1 610472769 ZZASOMWMMWRYHF-UHFFFAOYSA-N 409.450 1.718 30 10 HDEE COc1cccc(N2CC[C@@H](CNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)C2)c1 732458856 MLOYSGLMFGGLAW-DNTCVELPSA-N 413.478 1.347 30 10 HDEE CSCC[C@H](NC(=O)COc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665198 VMNQPJATKBZSBJ-MJGOQNOKSA-N 416.547 1.502 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)CCN1C1CC1 732669225 JIZVUKVTODNRJS-CYBMUJFWSA-N 402.398 1.548 30 10 HDEE Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732706415 JBBPXMJZOIUQEU-GOSISDBHSA-N 413.547 1.686 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 755474395 MJFFZIZKPPTXLU-USJZOSNVSA-N 404.426 1.787 30 10 HDEE CC(C)(C)OC(=O)N1CC(C=NNc2ccccc2S(=O)(=O)N2CCOCC2)C1 758878971 OLZQPLCWLLROAR-UHFFFAOYSA-N 424.523 1.972 30 10 HDEE Cc1ccc(N2CC[C@H](NC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760988479 PUBQMOIKHBCWNY-IBGZPJMESA-N 404.474 1.899 30 10 HDEE N#CCOc1cccc(CC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 767148586 IJAMQTDLBBXNSK-SFTDATJTSA-N 418.497 1.847 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)N[C@H](CO)c1cccc(Br)c1 771201486 CWNBYTRXKSFJIZ-PHODEOQFSA-N 408.252 1.515 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 771631001 CLEVJWANFROMFJ-IBGZPJMESA-N 422.489 1.704 30 10 HDEE C#CCNS(=O)(=O)c1cccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)c1 771644320 BIJCEZDTWNWJSQ-UHFFFAOYSA-N 424.482 1.849 30 10 HDEE CC(=O)N1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cc2)CC1 786069335 QPTMHZQUQBWNTR-UHFFFAOYSA-N 413.503 1.486 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2ncc3cn(-c4ccccc4)nc3c2=O)n1 788370735 XKKYEWHJEQGOKB-UHFFFAOYSA-N 417.473 1.518 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nnc3n(C)c(=O)c4ccccc4n23)n1 789326712 ZVCOZYYKZBUJJZ-UHFFFAOYSA-N 405.462 1.060 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(F)cc1 794894288 HULQDPWBCDJQHG-MKXGPGLRSA-N 420.506 1.726 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)C[C@H](CC#N)c1ccccc1)c(=O)n2C 795992238 REOSMEVEMNLNPV-INIZCTEOSA-N 409.446 1.455 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 797724214 FQVVTSJZFRHIOG-OSCRUYLVSA-N 412.446 1.430 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 800780507 XEZHBBVREPCRET-QGZVFWFLSA-N 414.466 1.094 30 10 HDEE CC[C@]1(C)NC(=O)N(N=Cc2ccc(S(N)(=O)=O)c(Br)c2)C1=O 807954629 XEUQUHJMGXDHFF-ZDUSSCGKSA-N 403.258 1.151 30 10 HDEE C#CC[C@@]1(C(=O)OCCn2nc3ccccn3c2=O)CCCN1C(=O)OC(C)(C)C 808596860 WJEAPUQVIUSVNQ-NRFANRHFSA-N 414.462 1.832 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(C)cc1F 813746397 BOPFPGZKJUHZCL-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(n3cc(N(C)C)cn3)CC2)cc1 816773093 WRSPJROVPJVPQX-UHFFFAOYSA-N 415.519 1.338 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)CC1 849127060 OMDDHNIGUKZBAC-YCAMKHIRSA-N 406.574 1.606 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)c2cn(CCO)nc2C2CCOCC2)CC1 856615052 ZNEKSOLNBDTDFR-UHFFFAOYSA-N 423.517 1.994 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)Cc3ccccc3C#N)CC2=O)cc1 916775604 WSCLDCQDBNJCQP-LJQANCHMSA-N 411.483 1.861 30 10 HDEE CC[C@H](C)c1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1 916954530 ISTZXZQCCDRHIA-BBRMVZONSA-N 406.446 1.991 30 10 HDEE C[C@H](Cn1cncn1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 917255812 FHPVWISVPABUDY-CQSZACIVSA-N 404.496 1.082 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCCN(c3ccc(C)cc3)CC2)c1=O 917484817 HKNYVGAHGNVSLY-UHFFFAOYSA-N 411.506 1.022 30 10 HDEE Cc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C(C)C)c3)n2)s1 1084627501 USQBEPDRQMSSBP-UHFFFAOYSA-N 406.501 1.919 30 10 HDEE C=C1C(=O)O[C@@H]2CC(C)=CCCC(COC(C)=O)=C[C@H](OC(=O)[C@@](C)(O)CO)[C@@H]12 1084659777 SQQDHMIYFXZFNM-WKRCXCSHSA-N 408.447 1.359 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1126400821 DFHPEYSILWENCC-HUUCEWRRSA-N 404.471 1.229 30 10 HDEE C=CCCn1cc(C(=O)N(C)c2ccc(S(=O)(=O)N(C)CCOC)cc2)nn1 1128621407 YDEXEXJJHQVMGI-UHFFFAOYSA-N 407.496 1.398 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)c(F)c2)C1=O 1129862185 BOHHWHLVMMLDNR-NRFANRHFSA-N 410.405 1.789 30 10 HDEE CN(C)[C@@H](CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1133562652 QTYZIFATLHAHFV-AWEZNQCLSA-N 406.430 1.491 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)n[nH]2)c1C 1137892393 NWHDKNNLMXANDR-YOEHRIQHSA-N 400.483 1.442 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)N2CCN(CC#N)CC2)CC1 1147283796 SDDFBUDQILKTNI-UHFFFAOYSA-N 403.487 1.131 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3nc(O)n(C)c3c2)s1 1155188921 AKKBJKQLIJWYQF-UHFFFAOYSA-N 406.489 1.986 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)s1 1157648067 ZPYWFJZODCPHCH-OCCSQVGLSA-N 404.554 1.029 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1159860159 RNMVELUMTOMDLK-YZVOILCLSA-N 417.934 1.364 30 10 HDEE N#Cc1cc(Br)cnc1N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1164288594 RTNZERZUWXJWMX-WBFHCKIUSA-N 413.297 1.339 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)OC1(C)C 1176611675 NXNRIVZXEWAFND-ISLYRVAYSA-N 403.288 1.988 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190932710 XXGBDVWBRXEHBZ-QWHCGFSZSA-N 415.899 1.860 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1194087720 INQVKLMBAVYFBN-LLVKDONJSA-N 416.443 1.133 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1 1196790404 UAFCYPBWYDUOFN-OAQYLSRUSA-N 413.428 1.972 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)cc1 1197603921 YBGAIPFMNRGXJG-IVAOSVALSA-N 415.534 1.624 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@@H]1CCCO1 1218076144 KAPBJLCHXMSYBF-HOCLYGCPSA-N 422.327 1.898 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCC([C@H]4COC(=O)N4)CC3)C2=O)cc1 1227633757 ZZZYKCMRYHHEGZ-ZWKOTPCHSA-N 411.462 1.189 30 10 HDEE C[C@H](C#N)CNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1233951535 FHYBXHLJLAMMLW-MFKMUULPSA-N 412.231 1.633 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1Br 1252916389 VBKDENRWUPZRNV-SNVBAGLBSA-N 410.286 1.399 30 10 HDEE C=CCO[C@@H]1CCN(Cc2nc(=O)c3c(C)c(C(=O)OCCOC)sc3[nH]2)C1 1254555243 CFTUDLMLUAQCQB-CYBMUJFWSA-N 407.492 1.873 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1286393973 SLIVKMHOFNJIHY-JXFKEZNVSA-N 418.519 1.358 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@]1(O)CCO[C@H]1C)[C@H]1CCS(=O)(=O)C1 1286396929 XGHJXFMLZRTIAU-TWOQFEAHSA-N 424.567 1.033 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@](C)(O)c2ccco2)CC1 1286472326 RYEINYVWFZIPHQ-UWJYYQICSA-N 417.510 1.258 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286672859 QZNICTRJEVFSLU-QRWLVFNGSA-N 421.567 1.641 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1286722901 BUVVNUXLQHGRIJ-AWEZNQCLSA-N 401.467 1.926 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O 1286759970 VXMRJFSYWLXLNS-UHFFFAOYSA-N 400.508 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1286823868 ZBRNXFASCGPEMT-HXUWFJFHSA-N 423.583 1.132 30 10 HDEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1288376860 QQLCWSOZAVLMRD-OAHLLOKOSA-N 412.560 1.833 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCN1CCC[C@@H](C(N)=O)C1 1292493936 DGMHOLPEJXOKDA-CVEARBPZSA-N 409.531 1.277 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1293465716 FDHUMRYSOPXDLG-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N1CCOCC1 1300304493 OVLZNYALDZKECZ-HZPDHXFCSA-N 421.505 1.773 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1300319749 CQUSKCRNLUASAE-AWEZNQCLSA-N 412.523 1.489 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@]2(C)CN(C)C2=O)c1 1300334219 IPXUVLLTPFUFAX-HSZRJFAPSA-N 420.517 1.765 30 10 HDEE COCC#CC(=O)N1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1300409947 SHIFMLICDUXMSX-ZFWWWQNUSA-N 416.371 1.847 30 10 HDEE C#CCN(C)c1nnc(-c2cc(F)ccc2Br)n1C[C@@]1(O)CCN(C)C1 1300440175 OXBWQSNGNGGKDC-GOSISDBHSA-N 422.302 1.983 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1300448661 BKOLDIUMGYFION-CQSZACIVSA-N 402.476 1.220 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc(C)s1 1300553899 VOSYGDNMTITFMC-RDJZCZTQSA-N 400.508 1.478 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1300731120 CEXJQGJFXYMLTD-JKSUJKDBSA-N 407.540 1.121 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1300734010 PLGGXSTXZUZXCF-UHFFFAOYSA-N 413.551 1.588 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1301298113 YVXDLPIJKBPZPX-KRWDZBQOSA-N 419.507 1.448 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@H](OC)C1 1301483747 WALDJYBNBOUEJM-LBPRGKRZSA-N 409.288 1.563 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@H]2CCCO2)CCO1 1303005329 YNFLWTFWOJUSKQ-RCCFBDPRSA-N 405.499 1.487 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)CCOC1 1303501979 LCLSRFWVBZFMBM-RTWAWAEBSA-N 421.542 1.848 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)C1 1303934316 QYXBIWRZIOGYNM-VQIMIIECSA-N 409.556 1.863 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1 1304399756 AILVEQCDHRJWCF-MRXNPFEDSA-N 420.539 1.653 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2[C@H](c3ccccc3)C2(C)C)CC1 1312839859 XXOWJXQRDVSGKK-ROUUACIJSA-N 404.536 1.221 30 10 HDEE CCCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1313495407 OEWONPBEKCZRCH-CYBMUJFWSA-N 404.421 1.402 30 10 HDEE C[S@@](=O)C1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1316365594 GWENPJMJQVHGCM-JYRCXFKTSA-N 408.503 1.144 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1323986825 XXBVJEITRORTCM-INIZCTEOSA-N 403.545 1.839 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C2CCC(NC(C)=O)CC2)c1 1355984539 UHUZZXDUSCHLBU-UHFFFAOYSA-N 411.502 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1358888804 SFMSSVJBSCAAAL-RDJZCZTQSA-N 417.535 1.520 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1358927434 YKHUTLVICUNOQV-MRXNPFEDSA-N 415.523 1.153 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1358937853 JKPBRJDCRRGQMC-TXPKVOOTSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1CCCCCC1=O)[C@H]1CCS(=O)(=O)C1 1358957266 RVXRZFSUXGIPMF-KRWDZBQOSA-N 407.540 1.006 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2COCCO2)CC1 1359044204 ZHNWKANKFXQFDY-SFHVURJKSA-N 424.505 1.030 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2C[C@H]1CO2 1359084395 GHMUJLBZLPYCRB-AGIUHOORSA-N 417.329 1.456 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1359123679 HDCANTMVTYFLAU-UHFFFAOYSA-N 422.533 1.868 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1359137108 FPUWRMFTIJZEPF-DYESRHJHSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1359301485 ZODBHANBCDRIGJ-VCBZYWHSSA-N 407.540 1.251 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1359331903 KEFVCLVQZHOZBO-UHFFFAOYSA-N 416.569 1.160 30 10 HDEE CC(=O)NCCCn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1359460389 MXBCEVRCROEGLU-OAQYLSRUSA-N 421.549 1.880 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1440683581 KXOIFNHGSZQHQU-QGZVFWFLSA-N 404.478 1.598 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1447485141 MXYVJNZQCKTFAO-GCSSGZNBSA-N 406.483 1.729 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1 1452947593 LRRCBYBFTQGCLH-SJORKVTESA-N 419.528 1.965 30 10 HDEE CC[C@@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1456004879 WMGHMMQJUCRHIY-ZDUSSCGKSA-N 409.508 1.599 30 10 HDEE C[C@@]1(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCCS1(=O)=O 1463634894 AIOYWBNJMVPSPL-SFHVURJKSA-N 404.448 1.422 30 10 HDEE CC(C)Cc1nnc(NC(=O)CCC(=O)NCCNc2ncccc2C#N)s1 1464506591 JYBKGJXTVDAQIT-UHFFFAOYSA-N 401.496 1.950 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(F)(F)F)C(=O)OC)s1 1466707744 UEBXXKVFKHAXQN-JTQLQIEISA-N 414.427 1.365 30 10 HDEE C#C[C@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCCO1 1467294456 ZYLDGSOVMDIGAV-RDJZCZTQSA-N 403.483 1.761 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)nn1 1475568604 LWUBBZPGAKBRJH-UHFFFAOYSA-N 418.928 1.531 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1494282803 FZYZYSWNELCRKO-STGLLQLASA-N 411.466 1.035 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1498519351 OOPJCGCIBVJQEJ-UHFFFAOYSA-N 408.466 1.474 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1503821999 FGFMUIAATJGYGW-UHFFFAOYSA-N 407.478 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CC1([S@](C)=O)CCC1 1505059957 VURHCLOYMAIOLZ-WNVXOZFDSA-N 409.556 1.899 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1505313936 MBNJMBVPHHJQNO-INIZCTEOSA-N 409.450 1.032 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCn1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 1507634488 NNPBXEPJVHCJBM-MRXNPFEDSA-N 424.958 1.653 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CC1(S(C)(=O)=O)CCCC1 1507651073 BCSJGKXEYVHPFD-UHFFFAOYSA-N 411.531 1.694 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCCC(C)(C)C1 1507712633 KRPREMGFLKGQHQ-KRWDZBQOSA-N 402.543 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccsc2)CC1 1507724248 ALZOTUNZLBSOAE-HXUWFJFHSA-N 411.535 1.403 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507743836 KWBMNKUVRHKAEL-KRWDZBQOSA-N 404.584 1.511 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1507844910 SGEKYHZMDPLDSK-CQSZACIVSA-N 411.553 1.866 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 1507953185 DLWQBPKGKUKQNF-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2nsnc2c1 1508041633 RNEMMUXAZWARSG-OAHLLOKOSA-N 413.507 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCc2cccs2)CC1 1508134806 HOOXQAYFSZHXNJ-UHFFFAOYSA-N 409.581 1.614 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C2CC2)C1=O 1509963865 HHFBWJMXZKIFHF-PEBXRYMYSA-N 421.505 1.528 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(COc3ccc(C#N)cc3)n1CCCCCO)C2 1511736369 ZUBBMEGFJWDNLI-UHFFFAOYSA-N 422.493 1.812 30 10 HDEE C=CCCn1cc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1525174522 YLLHDGSURJHRMM-QGZVFWFLSA-N 415.469 1.441 30 10 HDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCC#N 1525372042 BVEQKWQNPWZFTE-FQEVSTJZSA-N 402.451 1.117 30 10 HDEE N#CC1(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCSCC1 1525421912 ZOOVEYAPLAYJOM-KRWDZBQOSA-N 419.522 1.996 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)CCC2=O)cn1 1531354482 LOFFMEODWPSVAR-INIZCTEOSA-N 404.434 1.313 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1snnc1C 1539171181 ICOXFRBOMIZSQX-UHFFFAOYSA-N 406.475 1.470 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1539220846 MEOAIUVYVPAKIS-FGTMMUONSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(SC)CCC1)[C@@H]1CCS(=O)(=O)C1 1539221541 POOLYBQUGKUAQO-HZPDHXFCSA-N 424.592 1.694 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@@H]2OC)CC1 1539476878 GXEJMOXGNWGWCG-MJGOQNOKSA-N 423.521 1.516 30 10 HDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCNC(=O)CC1 1539525949 GXKWNYGPQUSWSS-UHFFFAOYSA-N 408.531 1.974 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2nc(CC)ns2)CC1 1539701969 VGUDXOZTIZUUPL-CQSZACIVSA-N 416.555 1.936 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1540898290 FZUPMCFNQJEOHW-UHFFFAOYSA-N 411.572 1.662 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1 1542632961 YDQMERNDMNSUEJ-OAHLLOKOSA-N 404.463 1.760 30 10 HDEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1543122825 XMNQZEPQZFITOS-HAVVHWLPSA-N 417.491 1.416 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1544342973 LXGCGDWFDJAVKZ-UHFFFAOYSA-N 423.397 1.904 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1547862041 WNCPNZOGHVWQLA-ONGXBYRLSA-N 416.526 1.537 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1552870522 GZEXVERKOURRDW-QFIPXVFZSA-N 423.521 1.254 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1555515172 LQDIDNBPHURDOA-HTXNQAPBSA-N 411.466 1.258 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1557218696 ALAUXQYJJCBPCG-MSOLQXFVSA-N 406.504 1.038 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1 1557552185 ZMIYXDCFGAESOY-VFNWGFHPSA-N 420.510 1.835 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1558231776 ZOEIXSHXHLMVSJ-DLBZAZTESA-N 419.352 1.801 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H](CO)NC(=O)OCc3ccccc3)C2)nc1 1558465936 RWJPASVIAHWCQM-RTBURBONSA-N 423.473 1.643 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nc(C(F)(F)F)n[nH]2)cc1 1558573222 LPUMPIFDZGXRSY-SECBINFHSA-N 403.386 1.779 30 10 HDEE CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1560193857 MJXINWVWEHSNLS-TVSHIAKJSA-N 415.471 1.833 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@]3(CO)CC[C@@H](C)c4ccccc43)CC2)o1 1560226663 WUBTUESZVLUAJF-WAIKUNEKSA-N 423.517 1.878 30 10 HDEE C=CC1(CC(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1566044757 WAEZAXNCIQEFHL-HXUWFJFHSA-N 420.510 1.636 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1566134657 HKXKBCGLYYDMJB-UHFFFAOYSA-N 415.534 1.983 30 10 HDEE CCOC(=O)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1 1570401414 HCXRWFHCMSZPAG-QGZVFWFLSA-N 416.459 1.042 30 10 HDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CCC2 1583434623 BNZCBRLOJZZVBC-INIZCTEOSA-N 403.435 1.629 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3C[C@H]4CCCCN4C3=O)C2=O)cc1 1584376975 ZIOBKUOODFDOSO-BRWVUGGUSA-N 409.446 1.033 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CCO2)cc1 1585446359 RXUQSAINQPUWKI-UXHICEINSA-N 421.432 1.717 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1585916471 GCKRJAAKPGBCMC-NJAFHUGGSA-N 402.495 1.497 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@]2(CC(C(=O)OC)=NO2)C1 1587623630 FDJFEGCHPSOYCP-KZULUSFZSA-N 415.874 1.943 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN1CCCO 1587921676 FPMSOUUJOIDKQF-WIYYLYMNSA-N 405.543 1.235 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(C)COCCO1)[C@@H]1CCS(=O)(=O)C1 1588029012 BYPHNARVIJDNBM-DNVCBOLYSA-N 410.540 1.008 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)Nc2cc(CC#N)ccn2)C1=O 1588042966 UISDXQYRVYZXNR-HNNXBMFYSA-N 401.467 1.849 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1588059255 KNPPIKRVUNQFMT-MRXNPFEDSA-N 405.524 1.756 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1588085105 ZJZJAAFJCSDGJH-ROUUACIJSA-N 420.583 1.082 30 10 HDEE CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCN(S(C)(=O)=O)C1 1588146261 ZUMNIFWEQAGACH-KBPBESRZSA-N 402.517 1.066 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(OC)c2)CC1 1588800920 RMKKZEAGMICETC-UHFFFAOYSA-N 405.506 1.685 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@](C)(O)c2ccccc2)CC1 1588812179 QOEMDHHSSKYLAN-CVDCTZTESA-N 409.534 1.835 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1589110052 OWVIMBFLLWXWTI-UHFFFAOYSA-N 410.503 1.374 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCC1 1589149921 AXXAVPWONIAOEZ-MBOZVWFJSA-N 422.599 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC(C)C 1589215495 AQFUYHNZYNWVLB-QFBILLFUSA-N 409.556 1.492 30 10 HDEE C=C(Cl)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1593899929 DYTNXJUZCIZXJX-KRWDZBQOSA-N 419.913 1.776 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1ccc3c(C#N)c[nH]c3c1)CCS2(=O)=O 1603509944 FLXDFRHKMDXHHD-KLSXAPCHSA-N 415.471 1.668 30 10 HDEE N#Cc1ccc(NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(I)c1 1616833982 STJVDSHFWYASFL-MFKMUULPSA-N 413.215 1.914 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1618582428 FRARSAQEOVYSAV-OAQYLSRUSA-N 412.494 1.178 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@@H](C)O1 1619733330 CUGUKQPUZPRMME-APWZRJJASA-N 422.493 1.739 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC(C)(C)CCS(C)(=O)=O)s1 1620755800 OLLNGEOGNRYDBO-UHFFFAOYSA-N 408.567 1.084 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(OC)cccc2OC(F)(F)F)C1=O 1624640230 CPROXINZNDLYEG-UHFFFAOYSA-N 401.297 1.509 30 10 HDEE C#CC[C@H](NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl)C(=O)OC 1626184516 SPIXCOIVRVLFPL-LBPRGKRZSA-N 407.275 1.343 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)S(=O)(=O)[C@H](CC)C2)s1 1627096393 IQUZCVIZTFAQDO-GXTWGEPZSA-N 420.578 1.179 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2)cc1S(=O)(=O)NCC#N 1628066176 QFWMTLOYFOVCEM-HNNXBMFYSA-N 415.471 1.659 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1629761691 VOECQNHVHXOMGJ-NWANDNLSSA-N 420.395 1.774 30 10 HDEE C[C@@H](CN1CCOCC1)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1630027355 UNDFLVBUYDYDIE-DILDSAGESA-N 406.527 1.610 30 10 HDEE C#CCOCCNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1631468775 DCBGMYQWGCGWSO-GOSISDBHSA-N 422.547 1.283 30 10 HDEE CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1633545363 BBNNAPPCBYKAND-UHFFFAOYSA-N 424.392 1.200 30 10 HDEE C[C@@H](CC(=O)NCCc1c(F)cc(O)cc1F)/N=C1/NS(=O)(=O)c2ccccc21 1635732078 FAYZREIFEDTKHI-NSHDSACASA-N 423.441 1.846 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)[C@H](O)c3ccc(C#N)cc3)c3nccn32)C1 1635803288 HOMZTAAEDPQIFX-IAGOWNOFSA-N 423.473 1.995 30 10 HDEE COC(=O)[C@@H](Cn1cncn1)NC(=O)c1ccc(OCc2ccccc2C#N)cc1 1636127009 CKADLDFVPLNJQX-LJQANCHMSA-N 405.414 1.700 30 10 HDEE C#C[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C1CCOCC1 1640925252 DFBGLNXCOKZTBD-VIFPVBQESA-N 406.078 1.348 30 10 HDEE N#CCCCn1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c2ccccc21 1642373427 NGFMYGZCAFWASS-OALUTQOASA-N 401.488 1.973 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@H](Cc3ccc(F)cc3)C2)cc1 1642576375 NJPRVXQXFLWZGU-LJQANCHMSA-N 415.490 1.394 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC)Cc2c(CO)cnc(C)c2O)c1 1642768103 ZXRMFWMWLNBYGB-UHFFFAOYSA-N 417.487 1.162 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](O)C[C@]2(C)CO)n(-c2ccc(F)cc2)c1C 1643891682 DZOLBXYEQBQMPC-DYESRHJHSA-N 400.454 1.861 30 10 HDEE C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1644034019 LEKLTZBORTUQMZ-HNNXBMFYSA-N 421.372 1.406 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)CC2)cn1 1644131182 FCSUYTRHDDEYHL-QGZVFWFLSA-N 412.471 1.227 30 10 HDEE Cc1nn(-c2ccccc2)c(Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)c1C#N 1644229949 MRGQDVUSBYHKOE-UHFFFAOYSA-N 420.454 1.458 30 10 HDEE N#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(F)(F)F 1645009840 HRRUYQFGIRZOOF-ZCFIWIBFSA-N 406.205 1.732 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3C(=O)c3cccs3)C[C@H]1CS(=O)(=O)C2 1646439495 HLXKUKUZHRVCKP-DJJJIMSYSA-N 400.481 1.989 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(NC2CCC2)CC1 1648426316 XAVRBNUSTMUMNH-UHFFFAOYSA-N 404.536 1.638 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(c3nc(C)cc(C)n3)C2)ccc1F 1648719571 QJKPBAFBJVHMRS-UHFFFAOYSA-N 404.467 1.936 30 10 HDEE CC(C)(C)OC(=O)NCc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1652521577 SOZSJDLRCVDFFJ-JXFKEZNVSA-N 419.503 1.722 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOc3ccccc3[C@@H]2CO)s1 1652533401 SYPKAZQUJBJYPK-INIZCTEOSA-N 422.528 1.710 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CCO2 1653354812 DWORTDKOCRXRJZ-KYNGSXCRSA-N 407.492 1.417 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1653604199 ZZTJYYRNABNZET-GJZGRUSLSA-N 415.437 1.675 30 10 HDEE Cc1c(Br)cccc1C[C@@H](CO)CNc1c(C#N)c(=O)n(C)c(=O)n1C 1655477609 HBILQRMRMWQPAF-GFCCVEGCSA-N 421.295 1.290 30 10 HDEE CNC(=O)CN1CCCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 1655645088 OJPFWXCZXUDBIY-OAHLLOKOSA-N 417.579 1.969 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@@H]1C(=O)OC 1656493387 NEQJCJBEBAQYIY-OAGGEKHMSA-N 417.462 1.224 30 10 HDEE N#Cc1cccc(C2(NCC(=O)Nc3ccc(S(N)(=O)=O)cc3)CCOCC2)c1 1659476311 VJNOCPIRABJLBH-UHFFFAOYSA-N 414.487 1.440 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)OCc2ccc(Br)cc2)CC1 1662385540 MZHACLYTISECMH-UHFFFAOYSA-N 408.296 1.843 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(N3C(=O)CNC3=O)c2C)n1 1662521943 SYYGRYYURYJQMR-UHFFFAOYSA-N 424.461 1.561 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)NCC)C(=O)OCC 1665496897 LJBITJCJCXSVPK-GFCCVEGCSA-N 424.928 1.337 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C1CCOCC1 1670502561 QPZGUNGQRSBKIU-CQSZACIVSA-N 401.282 1.255 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)OC)CC1 1671140221 OAXMNEQEZFHMAI-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1673799975 YOGHLZAOTDZYCD-HOCLYGCPSA-N 424.479 1.202 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2ccc(OC)cc2)no1)[C@H]1CCS(=O)(=O)C1 1674282180 NVGPYMWIXBJERD-HNNXBMFYSA-N 403.460 1.682 30 10 HDEE CC[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(OC)c(OC)c1 1682421666 NWINERQLDSXIPF-YZVOILCLSA-N 407.492 1.735 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)c2cc(F)ccc2OC)CC1 1684258411 WEYADUKGNCHVGF-MRXNPFEDSA-N 412.487 1.080 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2CC(F)(F)F)CC1 1687229347 XRDONAPWFOQPGF-UHFFFAOYSA-N 418.441 1.086 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1689853521 VBGCARDOHUUGLH-BBWFWOEESA-N 407.540 1.425 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CC(=O)NCCC)c1 1689873466 JZZIIOVYJOQENT-UHFFFAOYSA-N 408.506 1.813 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCN(C)C1 1689949700 OWQJKEAIXPQFTO-NRFANRHFSA-N 415.494 1.107 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC1CC1 1689955926 YUDIYXPXERBLFQ-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1689986528 RVCDPINETXYYMB-DLBZAZTESA-N 413.503 1.660 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1C[C@@H]1C 1690101074 NIMWMBXEXPRGMP-HOTGVXAUSA-N 416.551 1.980 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC[C@H]1C 1691871508 UQVFSSYLFQFQKJ-GOSISDBHSA-N 424.553 1.715 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1692554260 SNEDFJCJGQUOEB-WMZOPIPTSA-N 415.542 1.263 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC)C1 1695956208 IJXTUAXLBYQBMM-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1696842915 ZHFWSGALLIZLPS-GOSISDBHSA-N 410.478 1.291 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1696891845 LHQDSKQVAXIGPO-CVEARBPZSA-N 424.461 1.703 30 10 HDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1697145755 FVSTZDSIQOMIEB-ZENOOKHLSA-N 402.496 1.001 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1705530051 NBEKHXDRDQJJIS-MRXNPFEDSA-N 419.493 1.391 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705561424 TYXDFTQQAFRRCQ-FGTMMUONSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC)n1CCOCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1705569282 AWRHYLJXZOYYEU-SFHVURJKSA-N 402.520 1.684 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(OC)C1CC1 1705674582 MIVIUARPZWANPV-CWFSZBLJSA-N 406.552 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN(C)CCOC 1705676519 DWJKAOHWJQRCKZ-OAQYLSRUSA-N 402.543 1.361 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N1CCOCC1 1705718345 KAHHWKLBUQOXKO-UHFFFAOYSA-N 423.521 1.778 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1705724799 QKFBHCXBFIYMSS-HNNXBMFYSA-N 412.498 1.321 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCOCC1 1705843765 NJYRRHFEVMCSER-IAGOWNOFSA-N 411.572 1.159 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(N(C)C)CCSC1 1722283306 HZHDRNBUDYLIGF-YWZLYKJASA-N 413.551 1.821 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1722369228 WIXFSYXHMGTCTC-OKZBNKHCSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCCN1CC 1722380136 FLPRQPUUSLWWJE-KRWDZBQOSA-N 408.506 1.953 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722402128 HLGZXIRRJCOPTE-IERDGZPVSA-N 410.478 1.723 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC=C 1722427364 UHDMDBDBBOMFGR-MRXNPFEDSA-N 405.499 1.859 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cc(C)on2)CC1 1722445661 AATRZCHRGKQHEY-UHFFFAOYSA-N 419.489 1.959 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1 1722507862 QFVYBULAKIRSQW-RDJZCZTQSA-N 415.498 1.548 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722519233 RFIPSNPPANRVLK-HNNXBMFYSA-N 409.494 1.997 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722522965 PJVKWYKCRQFGCK-NWDGAFQWSA-N 400.405 1.310 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1722617284 IJFUNTNXHBYTSZ-MRXNPFEDSA-N 408.528 1.317 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722629485 SLDQJKGYJYIZPV-MRXNPFEDSA-N 417.539 1.440 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1722631507 OSIMPJLFKNFTBG-RYUDHWBXSA-N 414.557 1.723 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1722631771 WIVGQLWDXQAUEN-OAHLLOKOSA-N 415.523 1.745 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1722699250 STMXKHGTNIJEGC-IXDOHACOSA-N 421.567 1.499 30 10 HDEE CCc1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1727547796 VXSJORRDSUYUEO-HLAUDOPJSA-N 410.482 1.094 30 10 HDEE CCO[C@]1(c2nnc(N(C)C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1 1728754398 HPPRPPFZWGKWRX-KBZZJAQTSA-N 416.482 1.055 30 10 HDEE CCSCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1729287543 QAXMKKZYPLWGBJ-HOTGVXAUSA-N 403.556 1.549 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1740548315 AGXUUNGRMZXPEC-FUHWJXTLSA-N 413.526 1.571 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1740630723 KTDGXIAUOZIGQQ-CQSZACIVSA-N 421.473 1.482 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2ccn(C)n2)n1 1740688804 KAQJNYHAAYBQKO-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](CC)C1 1740717659 XZHGCHXTKCCPPO-GJZGRUSLSA-N 414.622 1.878 30 10 HDEE C=C(Br)Cn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1740749956 ITPARRLLYKKEQT-DVOMOZLQSA-N 415.288 1.400 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)N2CCOCC2)C1 1740980354 JELFEGPCOQYCFZ-XUVXKRRUSA-N 419.570 1.920 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)CC1 1741624520 CVUYOEZMUQPLII-UHFFFAOYSA-N 406.498 1.309 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cnnn1 1743679114 OJEXKCIIFWZLAC-ZDUSSCGKSA-N 408.470 1.403 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1746468367 PWEHRDMNMFYEGY-RBUKOAKNSA-N 403.575 1.938 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1748717486 AWHCXUXFDVVRRY-JKSUJKDBSA-N 417.539 1.454 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC(=O)N(C)[C@H](C)C1 1748745029 KVSDIPFRDRLHSG-OAHLLOKOSA-N 419.489 1.272 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(CS(C)(=O)=O)CC1 1748956444 SEOKIMUAWDHSPE-UHFFFAOYSA-N 405.524 1.194 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cnn(CCOC)c2)CC1 1748983642 WXPSVSQISNWPMN-UHFFFAOYSA-N 409.494 1.493 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCOCCOC)CC1 1748992676 DZWINIRZKQJGFQ-UHFFFAOYSA-N 417.941 1.941 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC(=O)NCC(F)(F)F 1749053317 GCJMLDPXBDRINO-SUMWQHHRSA-N 417.432 1.673 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H](C)C(=O)NC 1749082797 GWKJJKAJIZRJQU-NSHDSACASA-N 413.320 1.241 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1749158930 NDLGXUDVOIWHIQ-HNNXBMFYSA-N 409.556 1.628 30 10 HDEE C=C(C)Cn1c(N2CCNC(=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1749209093 MPPYHDVXHIEEQH-GASCZTMLSA-N 404.515 1.951 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749232871 WBZVKAIHCRYQHF-OAQYLSRUSA-N 412.494 1.888 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1749471526 PIKCAFLTURISJO-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCC1CCOCC1 1750155278 YMMDOJYOBPOROU-FHWLQOOXSA-N 419.526 1.938 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1750990392 HSPQPZUFFUSKHX-UHFFFAOYSA-N 421.505 1.448 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1751093031 HZWDBNMWCSONTD-JKSUJKDBSA-N 407.482 1.874 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1751982709 OBFAWIQXRBOVFA-CRAIPNDOSA-N 410.478 1.289 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1760163416 VEIBPMXWHITQRP-UONOGXRCSA-N 409.487 1.564 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CCOC[C@H]1OC 1760196838 MGZIPFZTGIISRU-PKOBYXMFSA-N 409.446 1.978 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760248311 IHKHBHRITPZKEO-CABCVRRESA-N 420.514 1.228 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(C)(C)O)CC1 1760263179 QMHRFZSJOOFBEC-UHFFFAOYSA-N 407.522 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCS2)CC1 1760269054 WMZKKWTZPAMAHX-JKSUJKDBSA-N 416.551 1.091 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1 1760352550 RIARASKHLPDSPX-OAHLLOKOSA-N 410.544 1.611 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2c(F)ccc(F)c2C1 1760522578 WXFAJABAPRZBTE-ZDUSSCGKSA-N 403.433 1.925 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1760522828 ZIPFEFSUJBMHHF-HNNXBMFYSA-N 420.514 1.141 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1760550472 ZBWAGXTXVCALDO-LJQANCHMSA-N 420.477 1.802 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760564628 DBENVZFGMIUXQI-ILXRZTDVSA-N 404.540 1.396 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1766563337 QVSFADHZPJATLU-IIBYNOLFSA-N 415.494 1.741 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1767105550 UVXMRSNCXQFXKL-QUCCMNQESA-N 415.586 1.938 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCSC)CCO1 1769241542 JIZNVNYKKAEKMG-MRXNPFEDSA-N 400.508 1.521 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccn2)n1CCN1CCOCC1(C)C 1771109732 CPWJKSKPXRULTK-UHFFFAOYSA-N 413.526 1.817 30 10 HDEE N#C[C@H]1CC12CCN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)CC2 1848672173 HUIAGKUILZLIKA-QWHCGFSZSA-N 408.446 1.247 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(Cc2ccc(F)cc2F)C1 1850794139 ITRJIXLEDHBMTK-GFCCVEGCSA-N 419.409 1.579 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(CCC#N)CC1 1850877154 GXVOKEFSSPQCOL-KRWDZBQOSA-N 410.515 1.577 30 10 HDEE O=C(C1CCN(C(=O)C(F)(F)F)CC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851233171 DELPSKRMKNJJPE-UHFFFAOYSA-N 423.335 1.658 30 10 HDEE CN1CCN(C(=O)C[C@H](c2ccc(C#N)cc2)N2Cc3ccccc3C2=O)CC1=O 1852145000 UHLOPOOBLDKQLK-HXUWFJFHSA-N 402.454 1.946 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)c1ccc(F)cc1 1852461505 FQTKISUCSAELQG-CYBMUJFWSA-N 416.482 1.820 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)CCON=C(N)c1ccc(C(F)(F)F)cc1 1853574365 DPNYIXIFRNRQQX-UHFFFAOYSA-N 416.400 1.050 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc3c(c2)ncn3C)C1=O 1853683381 WCPOKQAIXDUQKN-OALUTQOASA-N 409.490 1.423 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1=O 1853828185 IUDOJVNVBFGXQL-IRXDYDNUSA-N 413.474 1.308 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccccc2Cl)C1=O 1853829556 WIKDCBVCHGKZGF-IRXDYDNUSA-N 419.909 1.955 30 10 HDEE COc1ccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1F 1853895015 NQCDCJDRHKZHTP-CQSZACIVSA-N 406.391 1.867 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)[C@H]3CCCS3)C2=O)CC1 1854831675 QARMSZILJVBXIX-ZWKOTPCHSA-N 413.547 1.879 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCCN(C(=O)C3CC(=O)C3)C2=O)CC1 1855520557 CMGBQAGPZBWJSB-IBGZPJMESA-N 410.474 1.541 30 10 HDEE C=CCCN(C)C[C@H]1CC(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1856087625 FQUXPMZHDCFMDR-CQSZACIVSA-N 405.445 1.920 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nccc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857298386 APVGKXCDOUJDRX-MAUKXSAKSA-N 407.474 1.337 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C(=O)C2)cc1 1857381123 LIWAWRGWAQZCRZ-IBGZPJMESA-N 406.442 1.606 30 10 HDEE COc1ccnc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)c1 1857499830 FQQZFYGUKVPDPS-UHFFFAOYSA-N 406.442 1.908 30 10 HDEE N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(c3ncccn3)CC2)nc1 1858438027 SQNBRAAYZIRKQJ-UHFFFAOYSA-N 421.486 1.871 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@@H]1c1ccc(O)c(O)c1 1862557485 LKJXMYCGSJPEPV-SFHVURJKSA-N 411.414 1.394 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488128 NPHBXDLATYAOIL-UHFFFAOYSA-N 401.902 1.687 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(CCCCN3CCCC3)C2)CC1 1872939890 QNOPHSUAVFKQPJ-LJQANCHMSA-N 404.555 1.252 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N3CCOCC3)ncnc21 1873591375 HXMDJFXLLDAONG-UHFFFAOYSA-N 412.494 1.196 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@H](COc3cc(C(N)=O)ccn3)C2)cc1 1891509550 JGGDLTITXOZJLA-HNNXBMFYSA-N 400.460 1.532 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N[C@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2163586197 DEXSRSLZPQUWKQ-QGZVFWFLSA-N 403.501 1.349 30 10 HDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)N1CCC(C#N)CC1 2174784933 SVOXVHJSDBPSQX-HNNXBMFYSA-N 402.517 1.034 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC1CCN(CCNC(=O)OC(C)(C)C)CC1 2174786593 LFMLWJHNWGZRPC-HNNXBMFYSA-N 402.561 1.691 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@](C)(=O)C[C@@H](C)NC(=O)OC(C)(C)C)cc1C#N 2174787359 SPXBUSDQIVWESM-RPHGYIDUSA-N 416.525 1.961 30 10 HDEE C#CCN(C(=O)[C@H](C(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180093586 WQTYHLMFTFBKKX-HRCADAONSA-N 400.541 1.821 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2185706807 RJHLPJKEMLXSIV-GJZGRUSLSA-N 401.529 1.870 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)CC2(C#N)CCC2)C1 2188796637 GIRZGROKFKKZAV-STQMWFEESA-N 401.485 1.452 30 10 HDEE C=CC[C@](C)(CO)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2201829658 JXWFGDTVWWCZFL-KSSFIOAISA-N 404.529 1.102 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C[C@H](CO)C1 2243697415 IVBFETZTRSAFDM-LDTOLXSISA-N 410.320 1.956 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2247840136 IFNXQHRMPKPBIK-QGZVFWFLSA-N 410.327 1.961 30 10 HDEE C[C@@H](CCNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247844709 GZMZLYJYNOQQGP-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C#CC(CC)(CC)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258172644 ZOBKNCYALJCPNH-INIZCTEOSA-N 410.492 1.566 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282017615 MLKNLDWDZLAJIV-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1CCNCC1 2282327422 HUBOLLUNVHSTOD-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@@H]3CC[C@@H](N)C3)s2)OC1(C)C 2282329187 JHDVBSVGARRHSW-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CC1(C)CC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1 2282334549 CYBBENQWGFSDKR-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE CC1(C)[C@@H](CN)C[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339215 WZUZYYCRZFLHAS-DGCLKSJQSA-N 400.375 1.699 30 10 HDEE C[C@H]1CCNC[C@H]1N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282349089 ULTQKYAQXKZGJN-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CCN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C 2282422518 CENHMIZQSSVSDF-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](CCO)C2)OC1(C)C 2282493664 XIKJTSUURBEXAW-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@@H]2CN)OC1(C)C 2282496043 VGUGXKCIXGHYHW-VXGBXAGGSA-N 400.737 1.512 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)N1CCCC1 2282498824 JWZUAVORDVCZHV-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282829548 GOUBHTUDPBNXQP-CYBMUJFWSA-N 401.721 1.855 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1(C)C 2282851353 ALWBNNFUCSRJHT-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CN1CCC[C@]1(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282853978 LSMXJVXNSVWQJK-QGZVFWFLSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1N(C)C 2282856583 VHKJYUHUNROFCE-JSGCOSHPSA-N 400.375 1.618 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@](C)(=O)N2CCCC2)OC1(C)C 2282866346 HPEJLDKDOAKNNI-VWLOTQADSA-N 420.387 1.845 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(C)(C)C(=O)O 2284403591 RJZBVZNHIJKMIF-SNVBAGLBSA-N 403.331 1.825 30 10 HDEE CC[C@](C)(NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284408175 SWJMRIJRUXZQPZ-HNNXBMFYSA-N 404.319 1.115 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300231211 UQPBCTLBGYAJJJ-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)c2cccnc2C#N)C1 2361537383 LZLVDUCXIUNBKU-HNNXBMFYSA-N 402.423 1.876 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363703513 HVGPVRDZUTYBBQ-RDTXWAMCSA-N 413.565 1.863 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCO[C@@]2(C#N)C1 2364274181 ORMUIQKVHPDSMX-MADCSZMMSA-N 404.062 1.700 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2365205335 AGCYLCQPOCKCBJ-KHYOSLBOSA-N 402.557 1.457 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367800252 ICZBIIGZLJJGMS-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C1(N(C)C(=O)OC(C)(C)C)CC1 2367811311 HBOZPXOYTSQVEC-HUUCEWRRSA-N 400.541 1.306 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2cccc(NC(C)=O)c2)n1 22628992 OSYJUZNUBDFMRK-UHFFFAOYSA-N 415.475 1.304 30 10 HDEE C=CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 44361065 QNOLEQJDLYEKRZ-ROHOOWMXSA-N 423.516 1.511 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccccc3)n[nH]2)cn1 59886730 OXGHERCLXPLAAS-KEBDBYFISA-N 414.495 1.502 30 10 HDEE Cc1ccc(S(=O)(=O)/N=C2\C=C3N(CCO)CCO[C@]3(O)c3ccccc32)cc1 96297906 LFGXNWMCCCPHDV-OBVHCKHUSA-N 414.483 1.540 30 10 HDEE COc1cc([C@@H]2c3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)NC(=O)[C@@H]2C#N)ccc1O 101442057 PTNTVDJTSAUGQQ-GHJWDPDVSA-N 409.446 1.944 30 10 HDEE C/C=C1/C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 256016157 ZOIAVVNLMDKOIV-FRMPANBGSA-N 407.463 1.580 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 382613124 XFTZRCUJRNOEJB-UHFFFAOYSA-N 418.347 1.871 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)o1 428008143 ZCFWROVDBRZCPM-UHFFFAOYSA-N 403.445 1.303 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(OC)c1 442910984 DMMNWRLLGVRSFW-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CC23CCOCC3)CC1 444323158 BWSIEWRHDMIIAU-KRWDZBQOSA-N 418.519 1.391 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(Cn2ccnc2)cc1 480138425 MZMMZMVGPITUFX-INIZCTEOSA-N 423.498 1.786 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccc(N3CCOCC3)n2)CC1 483557812 HWKYUXJTWLIPGA-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 489190844 VUBWYVWWTFBNQB-ZDUSSCGKSA-N 408.505 1.552 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)c1 504362924 RIZBKYHNEYEJON-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508840879 NTAVZLAMKOGCMJ-INIZCTEOSA-N 422.493 1.883 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](O)(C(F)(F)F)C1 508932534 UISKDPZNGQLHEX-OAHLLOKOSA-N 401.414 1.959 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 516668274 USZVTJFOCMPXII-BBWFWOEESA-N 424.482 1.349 30 10 HDEE Cc1cccc(N2CCN(C(=O)CN3CCN(c4cccc(C#N)n4)CC3)CC2)c1 546919539 DGFSVACQHSLKPB-UHFFFAOYSA-N 404.518 1.733 30 10 HDEE Fc1cncc(N2CCN(CC#CCN3CCN(c4cncc(F)c4)CC3)CC2)c1 556502963 XAYRDMWHOVDINU-UHFFFAOYSA-N 412.488 1.702 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 558699649 ZQPMQSOYZLOPNL-OAHLLOKOSA-N 403.435 1.656 30 10 HDEE COc1cc(CNC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)ccc1C#N 565983108 HNXHKJMASHLPLU-UHFFFAOYSA-N 408.524 1.816 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)CCCCCC#N)CC3)C2=O)n(C)n1 588163620 GJAJSTBOGJNRNC-GOSISDBHSA-N 400.527 1.842 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CC1 609282542 UYDQBFJBMVXGHL-UHFFFAOYSA-N 408.510 1.183 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2ccn(CCC#N)n2)C1 609789741 GLBDZRRRNFXXMS-AWEZNQCLSA-N 406.468 1.441 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OC)c(OC)c1 610377436 XAAOSMHPCQRGFF-UHFFFAOYSA-N 415.377 1.756 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1 619209559 KTNWVXVTOPSWAB-UHFFFAOYSA-N 411.487 1.591 30 10 HDEE CCc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 733889854 CMDANMRJWBYPIX-QZQOTICOSA-N 410.474 1.450 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 734293836 PEJGCPKNIMIBAH-UHFFFAOYSA-N 408.439 1.642 30 10 HDEE CSc1ccc(Cl)cc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737305309 GRIHHYVUNVUSON-PFONDFGASA-N 408.867 1.643 30 10 HDEE C[C@@H](CC(=O)NCc1ccnc(-n2ccnc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742591385 ZGCVEVDIQRAYEO-AWEZNQCLSA-N 424.486 1.401 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)OCc3cc(Cl)ccc3OCC#N)cnc21 746914380 YUMHJFSAZDMTNQ-UHFFFAOYSA-N 400.778 1.947 30 10 HDEE COc1cccc(C[C@@H](C(=O)NCc2ccc(OC)c(C#N)c2)n2nnnc2C)c1 746922788 LCLFTHDBZRMGLE-IBGZPJMESA-N 406.446 1.971 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3cccnc23)c1=O 748066176 RSEFUUQYULRCPQ-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](Nc3ccc(S(N)(=O)=O)cc3C#N)C2)c1 748284263 XRUZWFAPVMEGMR-CQSZACIVSA-N 402.476 1.914 30 10 HDEE Cc1noc(CCNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 751388049 LINJPJALWGQTGH-CQSZACIVSA-N 405.480 1.190 30 10 HDEE C#CCN(CC#C)C(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 751903651 XXHIATLENKAVOO-UHFFFAOYSA-N 411.936 1.626 30 10 HDEE CCn1cnc(S(=O)(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)c1 753065246 CUYRIQLPBMEWKR-XDJHFCHBSA-N 411.509 1.517 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 756033250 XEIOHYQGAHXNNA-QMWCZEAPSA-N 421.523 1.048 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@@H]3C2)cc1 756072559 LSKXUIDODFJYRC-QMWCZEAPSA-N 421.523 1.048 30 10 HDEE CN1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)CC1=O 756166492 PGIVMVCRJHOXFR-SILNSSARSA-N 407.496 1.543 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 758701556 GHDHCLGYXWNHSS-AMDPRKRTSA-N 402.426 1.117 30 10 HDEE COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760618318 ASQFXZJVZURUQE-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 762521350 OROBOUMWGRWSQH-HNNXBMFYSA-N 403.508 1.113 30 10 HDEE C#CCN(C(=O)Nc1cccc(CN2CCCCC2=O)c1)[C@H]1CCS(=O)(=O)C1 774037549 INPFJMQMKJRJHH-SFHVURJKSA-N 403.504 1.853 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](OC(=O)[C@@H](O)c2ccc(C#N)cc2)C1=O 780208838 FETKOOROORFTGQ-CABCVRRESA-N 400.412 1.788 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2C[C@H](C)O[C@H](C)C2)nc1 780370146 MKXMCUCIGNHRLK-GASCZTMLSA-N 414.487 1.994 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780915991 ZJQYCALBRMUVJQ-JOCHJYFZSA-N 407.470 1.904 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCN1CCc2c(Cl)cccc2C1 785721121 JMRWPJKFQXTXBX-FMQUCBEESA-N 402.882 1.731 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)nc1-n1cc(Cl)cn1)[C@@H]1CCS(=O)(=O)C1 786827971 PNHCADHRRGNGPF-MRXNPFEDSA-N 421.910 1.561 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@H]1CCCCO1 790360448 IORVGFMEQWJQJF-LJQANCHMSA-N 417.494 1.691 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)OCc2ccc(C#N)c(F)c2)cc1 791400383 ISLKFRBVVKLBMN-UHFFFAOYSA-N 404.419 1.916 30 10 HDEE C#C[C@H](NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 794910122 DVIMWTXCEGXQLC-ZWKOTPCHSA-N 407.401 1.547 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)c1cn(C(C)C)nn1 796032315 DBWDQYSRSTVKDL-UHFFFAOYSA-N 402.455 1.981 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2cnc3c(Br)cccc3c2)C1=O 801029103 VNUZDQNVTMWRBL-UHFFFAOYSA-N 418.203 1.880 30 10 HDEE CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801846326 YLCMWTITVKXUIU-SFHVURJKSA-N 409.494 1.901 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802551760 XMKPRKUYQPIOKU-IBGZPJMESA-N 416.493 1.673 30 10 HDEE Cn1ncc(-c2csc(=Nc3ccc(C(N)=O)cc3)n2Cc2ccc(C#N)cn2)n1 803191405 CHEPKKXZXPWXBL-UHFFFAOYSA-N 416.470 1.991 30 10 HDEE CCn1c(COC(=O)c2cc(C#N)ccn2)nc2cc(S(=O)(=O)N(C)C)ccc21 803850456 KRGHBBHBZDRMDE-UHFFFAOYSA-N 413.459 1.930 30 10 HDEE C[C@H](OC(=O)C1(c2cc(F)cc(C#N)c2)CC1)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 803922866 WGQAHPDUWHIEQF-BLLLJJGKSA-N 408.451 1.306 30 10 HDEE N#Cc1c(N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cccc1S(N)(=O)=O 808111993 VOPVQVGNNQJDSO-ZDUSSCGKSA-N 406.489 1.081 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OCC)n1CC)[C@H]1CCS(=O)(=O)C1 812031550 ZJAFHPKKCOXOTB-INIZCTEOSA-N 418.519 1.902 30 10 HDEE N#CC(C#N)=c1sc(=Cc2csc3ccccc23)c(=O)n1CCN1CCOCC1 812944306 LGJJNJZIVAFYFV-UHFFFAOYSA-N 422.535 1.483 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)c2cnn(Cc3ccccc3)c2Cl)c1 813979891 IPKKQYTZTSAFAD-UHFFFAOYSA-N 401.835 1.970 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC(=O)N2C(C)(C)C)cn1 816402739 PDIDTQLONQHQAQ-FUHWJXTLSA-N 413.478 1.544 30 10 HDEE Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)c1 816692295 KXBNPOGLIMLGPN-QGZVFWFLSA-N 403.460 1.824 30 10 HDEE CC(C)NC(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 916947101 UWTJDIPFQZGCEC-INIZCTEOSA-N 411.911 1.974 30 10 HDEE Cc1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)s1 917767627 BKEUFUFKQDYNOM-CYBMUJFWSA-N 403.529 1.582 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)c1C 919041133 FTKZXOTYLCZDFP-KTKRTIGZSA-N 424.457 1.204 30 10 HDEE CCC1CC(=O)C(=CNc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C(=O)C1 920980437 OAVKTAJVAYEQII-UHFFFAOYSA-N 408.476 1.667 30 10 HDEE COc1ccc(CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1C#N 1119339224 UDDGSFDASAZYSC-INIZCTEOSA-N 416.478 1.699 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3Cc4cc(C(=O)OCC)nn4C[C@@H]3C)cc2C1=O 1133704071 DTWVHNMSOZEADQ-ZDUSSCGKSA-N 422.441 1.886 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(C(C)(C)C(N)=O)CC1 1136978071 XYTNODMMJGHHLD-OAHLLOKOSA-N 409.531 1.372 30 10 HDEE C=CCC[C@@H](NC(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1140929618 KZQQKTTYPQTEJK-TZMCWYRMSA-N 400.522 1.602 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)c1 1141501154 NNKIEKYUMWUITB-MRXNPFEDSA-N 416.463 1.095 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 1144130949 FTZGCMDXNCYUIO-GJZGRUSLSA-N 415.471 1.473 30 10 HDEE CN(CCNC(=O)C1CCN(C(=O)[C@@]2(C#N)CCCOC2)CC1)Cc1ccccc1 1148288612 SVNPZWCETRWAKN-HSZRJFAPSA-N 412.534 1.794 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 1155599876 QGDNJNPPQHCFIU-ZBEGNZNMSA-N 401.410 1.916 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1157884025 CWWMUOZHHWFFTG-QABNGEJJSA-N 409.508 1.030 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1CC(CCO)C2 1175312101 KKHHRKCJHXMBJV-HOTGVXAUSA-N 405.520 1.657 30 10 HDEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2N1 1179656051 NDIMXUOXYLFHMJ-KVQFHVITSA-N 417.413 1.201 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C)C(=O)OCC 1193572684 GZTQRQKSABVRNO-LBPRGKRZSA-N 401.872 1.230 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(c3nn[nH]n3)CC2)cc1 1198251331 NLFPQJGNXOKZPI-UHFFFAOYSA-N 405.484 1.418 30 10 HDEE C#CCN1CCC(NC(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 1227042100 BOYDSORWODCCAR-UHFFFAOYSA-N 416.906 1.154 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc(CC)cc2)CC1 1233927445 HBKDANUQXGTOCA-PKOBYXMFSA-N 401.507 1.908 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1251731286 CBJCOYBRNIHKFG-ZWKOTPCHSA-N 418.494 1.869 30 10 HDEE CC(C)(CNC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1)CS(C)(=O)=O 1255234051 UTIMLHVDBBOHQL-UHFFFAOYSA-N 406.552 1.846 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)n1 1256055505 QZIQXZXOIKFGSE-INIZCTEOSA-N 407.471 1.225 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1286299987 KTWOQDCMTSIWTD-ZDUSSCGKSA-N 401.421 1.356 30 10 HDEE C#CCCCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@]1(OCC)CCOC1 1286333727 AXPMYOFXIIPUNA-NRFANRHFSA-N 403.527 1.696 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N(C)CC(=O)N1CCOCC1 1286350422 CLVXBSLGSFSJGA-UHFFFAOYSA-N 411.506 1.586 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286389978 UPDYZOJYYPYUGW-INIZCTEOSA-N 414.535 1.798 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOCC2(C)C)CC1 1286480412 VUFVBGHACORFHE-UHFFFAOYSA-N 423.565 1.515 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)C(C)C)CC1 1286481541 FCOIFSHYEWFYNE-HSZRJFAPSA-N 421.549 1.679 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CSCCS2)CC1 1286483812 ZLMJTEGXNXXXKM-INIZCTEOSA-N 420.608 1.004 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1286711059 HTTSHKKDOAKXSI-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1286773280 MMWGRRYUCHCGDW-ZDUSSCGKSA-N 405.421 1.489 30 10 HDEE C=CCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1286777534 FENOJLRAQBUCBB-ZNMIVQPWSA-N 418.498 1.876 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H]1c1nncn1C 1286790125 NXSKIZUKRPBEIH-INIZCTEOSA-N 407.482 1.036 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1286790584 URQGIFRVIQWJDS-XJKSGUPXSA-N 420.539 1.176 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286966539 ABWLFWFKSQQIPS-QLFBSQMISA-N 416.448 1.641 30 10 HDEE N#Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1C1CC1 1288303128 IOEAAGOBVRLHHS-UHFFFAOYSA-N 424.482 1.808 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H](C2CC2)N(C)C)cs1 1290435315 NBWDMLXTUCEAIG-IRXDYDNUSA-N 401.540 1.703 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCC1 1298047031 GUOAAYMGIBKGRS-MRXNPFEDSA-N 406.556 1.404 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1300303450 IZLBNEZNMHTJLR-NYHFZMIOSA-N 424.505 1.437 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1300305498 WDTQAGLHNMKXDH-QKKBWIMNSA-N 408.462 1.857 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1300382332 QOBLAVUIAABLOD-GOSISDBHSA-N 411.510 1.722 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-c2nc[nH]n2)cc1 1300431752 KEOQSRYOUFGEPB-OAQYLSRUSA-N 407.478 1.833 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)cc1F 1300631026 KPYFQLDUYSKLCO-HNNXBMFYSA-N 406.483 1.836 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300843911 KZHRHORYYCPSIM-QWHCGFSZSA-N 419.345 1.704 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1300991852 WHOXWGRICDRLDY-RCCFBDPRSA-N 424.567 1.778 30 10 HDEE COC[C@@H](F)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1301060470 GITRCBQOYVKKNS-QWHCGFSZSA-N 413.413 1.307 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)CC#N 1301187777 BVPKCVAURLOIRZ-CVEARBPZSA-N 410.544 1.706 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1301259811 OTVKUYVRKBLMIP-MSOLQXFVSA-N 412.494 1.791 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1301445913 SRMKORWOFGPVIG-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(CC(F)(F)F)C1 1301582457 HCDRBRGEBCNASN-GFCCVEGCSA-N 418.441 1.210 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1302090396 ZEWUKBVLIKZTBS-UHFFFAOYSA-N 417.539 1.213 30 10 HDEE N#C[C@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@H]2COCCO2)CCO1 1303010378 UWZPIDXQYDZDBQ-OALUTQOASA-N 413.478 1.434 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC[C@@H](C#N)C2)o1 1303427971 DKBZRGNKBCIVGA-UONOGXRCSA-N 409.464 1.372 30 10 HDEE CC(C)OCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1303566285 DIAPIYSJIIENSC-QGZVFWFLSA-N 412.494 1.855 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1303635247 CJXGBWWJFWWKQW-ZBFHGGJFSA-N 405.466 1.597 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1303642672 LKSRYSOQTKGXRI-QLFBSQMISA-N 418.523 1.548 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1304903141 NFGCAAVSFPFDAD-FHLIZLRMSA-N 410.478 1.024 30 10 HDEE C=CCN(C[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1307537926 NSUSIPGXIYKKRE-PZJWPPBQSA-N 422.547 1.825 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 1309626245 CRNBVNKQQVRVOL-NSHDSACASA-N 412.269 1.769 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1311440810 MHKSIQVTVJCICX-UHFFFAOYSA-N 407.536 1.777 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1312472714 ZGNDQFVLWIVLIF-SJORKVTESA-N 421.542 1.499 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H]1CS(=O)(=O)NC)c1ccc(Br)cc1 1312936105 GAECRMZHXRTIRM-GJZGRUSLSA-N 414.325 1.847 30 10 HDEE CN(Cc1ccco1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1314758653 YSJLWQCKYCJKNW-UFOSLELVSA-N 412.450 1.538 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1 1316057561 GFAAOOTZOXXPFM-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC2)CCN1C1CC1 1332145226 PKALSRVKZXWKAS-DOTOQJQBSA-N 422.493 1.138 30 10 HDEE COc1cc(C#N)ccc1C(=O)N(C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1353562968 DGLPZLZXPMZRGK-UHFFFAOYSA-N 405.414 1.736 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1358918202 NLECLKIMNYBFDA-UTKZUKDTSA-N 417.510 1.763 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1358961821 FRNNHNHFFDYCNA-ZACQAIPSSA-N 410.540 1.081 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1358980349 SADIMPXYNQLORS-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCn2cc(Cl)cn2)n1 1359027445 JZQPGMPTCUCBTK-UHFFFAOYSA-N 402.890 1.619 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOC(C)(C)C)CC1 1359029055 NEIKEDNWCOYYDB-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccccn2)CC1 1359044175 YGNQQUTZUAUSCO-UHFFFAOYSA-N 418.505 1.282 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359151548 WTNWVBXZUMVDNV-DLBZAZTESA-N 424.977 1.961 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1 1359332093 PALNHGPLDASANV-MRXNPFEDSA-N 408.528 1.490 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC(=O)N(C)C[C@@H]1C 1359345874 TUXWGCSHJAUXEE-INIZCTEOSA-N 403.556 1.726 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCOCCN(C)C 1360474660 SPBBYBNNRQSFHJ-CQSZACIVSA-N 403.487 1.322 30 10 HDEE C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1360553884 DWJFGEWZIWAZHB-DOTOQJQBSA-N 401.515 1.080 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1360784516 GKKPPSCUCXSTPI-VGOFRKELSA-N 424.505 1.824 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1ccc(C#N)nc1 1437299192 DVRNOFKCIQZWMI-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)cc1 1446693786 DAFCFLSLIWPBGW-CNZFZVQHSA-N 406.504 1.387 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)CSCc2ccc(C#N)cc2)cn1 1455703257 OJSXTJKEZUSBEL-SFHVURJKSA-N 418.544 1.913 30 10 HDEE N#Cc1ncn(CC(=O)NCc2cc(Br)cc(Br)c2N)n1 1455991154 UAHNXQQHJYNBDD-UHFFFAOYSA-N 414.061 1.573 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 1456095089 JYPHYFQKUUQXKT-ZIAGYGMSSA-N 407.492 1.305 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2(c3ncccn3)CCOCC2)c1 1456133204 LCGYIMPALCFDGI-UHFFFAOYSA-N 404.423 1.349 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1457197424 FRRPKLGSSUXOSO-ALCCZGGFSA-N 408.414 1.491 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)C1=O 1459573895 IMSUZMJLWXPIRU-GOSISDBHSA-N 421.457 1.075 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@H]2CCCO2)ccc1F 1463116885 BXXPWUKCQHELQN-HZPDHXFCSA-N 412.483 1.700 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)OC 1463855714 VTOKIYZYXFIERW-JTQLQIEISA-N 404.238 1.064 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1464037504 SRHQVQRHHMEDSX-UHFFFAOYSA-N 402.476 1.102 30 10 HDEE N#Cc1c(CCCNC(=O)Cn2nnc3ccccc32)nn(-c2ccc(F)cc2)c1N 1464097677 BARXGDRMOJCGFX-UHFFFAOYSA-N 418.436 1.959 30 10 HDEE COCCC(=O)N1CCC(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1465997002 OLRPEHBXNDCWFL-UHFFFAOYSA-N 421.538 1.781 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CCN(S(=O)(=O)CC)CC1 1466756857 VAELZGMTPIHOHT-INIZCTEOSA-N 415.556 1.471 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cccc([S@](C)(=O)=NC)c2)c1 1468040545 AULVGRHUTWSGIK-SANMLTNESA-N 405.501 1.937 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1 1470815326 WLTBAKCERCZAQI-KRWDZBQOSA-N 404.478 1.895 30 10 HDEE COC(=O)[C@@H](F)CNC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1471333460 CHFYKWJRRNEFIT-AWEZNQCLSA-N 406.393 1.208 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 1471338421 YNZBTPMGDKAPEL-GOSISDBHSA-N 422.526 1.376 30 10 HDEE CCOC(=O)Cn1cccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)c1=O 1476359769 CWYWVTXJPVWYEU-UHFFFAOYSA-N 401.448 1.517 30 10 HDEE C#C[C@@H](NC(=O)Nc1[nH]nnc1C(=O)NC1CC1)c1ccc(Br)cc1 1477202882 PHXKYOUOASOVSG-GFCCVEGCSA-N 403.240 1.955 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1)[C@@H]1CCCO1 1478479026 CGKAHQNKSMVVQL-MLHJIOFPSA-N 417.510 1.603 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1478581200 JACPQDHPGFZOSL-HKUYNNGSSA-N 407.486 1.470 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1492720039 CSRDNVCPSKGSFY-CYBMUJFWSA-N 407.482 1.920 30 10 HDEE CCc1nc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)cs1 1498488210 PWVUULKOTAVZPT-LXZKKBNFSA-N 418.523 1.798 30 10 HDEE CCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1500649161 XULAMUSNJSEIBB-VLGSPTGOSA-N 424.465 1.298 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1504526031 DKSFPPORZCJMNL-GRDNDAEWSA-N 416.482 1.796 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCN(C)C1 1504886237 BCZFWXZZGIJQOK-OAQYLSRUSA-N 416.501 1.441 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@](C)(O)C(C)C 1504993114 DQVGHQPGTWVLMW-HGHGUNKESA-N 420.558 1.586 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1505046788 BCUGFMDKHJBXBW-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1514476081 FHSUXWAENCEWMI-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE C#CCN(C(=O)Cn1c(-c2ccccc2)c(C)sc1=O)[C@@H]1CCS(=O)(=O)C1 1520935734 XTCPEYKQIAJKGI-MRXNPFEDSA-N 404.513 1.534 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1cc[nH]n1 1521154981 MIGLMGSOVFWPRU-MRXNPFEDSA-N 412.498 1.455 30 10 HDEE N#Cc1ncn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)n1 1525620669 LSUIBGMMMWRHBI-VQTJNVASSA-N 401.474 1.577 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@]3(C(=O)OC(C)(C)C)CCOC3)CC2)o1 1527824302 BBGPLOXFCORWBB-FQEVSTJZSA-N 404.467 1.688 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1530092911 JLHJVYHVALLMSA-AWEZNQCLSA-N 405.879 1.345 30 10 HDEE C#C[C@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C1CCOCC1 1533501373 SVUPAEHOFYVMKU-KRWDZBQOSA-N 403.504 1.392 30 10 HDEE Cn1cc(N2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2=O)cn1 1533613841 OYBMWCMGDBZPML-MRXNPFEDSA-N 418.498 1.573 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 1534803053 JREQURCQODTGKL-AWEZNQCLSA-N 415.837 1.747 30 10 HDEE CN(c1ccccc1)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cs1 1536179970 OOVVNJFZNZDOCF-UGSOOPFHSA-N 402.501 1.921 30 10 HDEE N#C[C@]12CN(C(=O)c3csc(-c4ccc([N+](=O)[O-])cc4)n3)C[C@H]1CS(=O)(=O)C2 1537006502 UYBOMCXVIYYMEI-YVEFUNNKSA-N 418.456 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCN(C)C1 1539002050 OZHDHMHUAWCTOY-HTAPYJJXSA-N 405.506 1.655 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCNC(=O)c1cccc(O)c1 1539194431 ZCKBLEPOJUPCPB-UHFFFAOYSA-N 421.505 1.735 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(OC)CCOC1 1539378368 ZDMXOMOJEIONOQ-LJQANCHMSA-N 403.508 1.535 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1540139506 HGECNVLRERAYFI-UHFFFAOYSA-N 424.484 1.909 30 10 HDEE Cc1nn(C(C)C)cc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120570 BCXAFNITFAOCDP-UHFFFAOYSA-N 401.492 1.791 30 10 HDEE CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1546933038 ABHDJWGOVUOXNY-HZPDHXFCSA-N 424.571 1.787 30 10 HDEE CCOCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1548234562 JYCCDLHIVZYLLS-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CCSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1552591734 KUTQEVIUQOFVMZ-MRXNPFEDSA-N 405.572 1.736 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1555500262 UPXYLBMMKASSPA-QGZVFWFLSA-N 410.478 1.576 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@H]3C[C@H]2C[C@@H]3O)cc1[N+](=O)[O-] 1558546311 VLIMOJVUZSLGGO-KEYYUXOJSA-N 411.418 1.976 30 10 HDEE N#Cc1cc(CN2CCN(CCNS(=O)(=O)c3ccccc3)CC2)ccc1F 1560025147 GLPZFLNCNULMPV-UHFFFAOYSA-N 402.495 1.793 30 10 HDEE C=CC[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1561460765 WYRCUGCYQMSYOB-KBPBESRZSA-N 406.501 1.050 30 10 HDEE CCC[C@H](C)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1583571561 JQMFUMZEHIHDNY-KXBFYZLASA-N 407.536 1.872 30 10 HDEE CCCN1C[C@@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1584195936 VCCIWDFSVXGLBL-NVXWUHKLSA-N 411.462 1.138 30 10 HDEE NC(=O)c1ncn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1585625361 MVQBRZBSAQWFPW-OLQVQODUSA-N 421.248 1.006 30 10 HDEE C#CCN(CC(=O)NCCOCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1586837012 KAKVXTHSMFLCHZ-UHFFFAOYSA-N 413.515 1.904 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)[C@H](C)C#N 1587000676 MZWLYTQNKUVFGY-OAHLLOKOSA-N 408.524 1.396 30 10 HDEE C=CC1(CC(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 1587141700 PDPLXKSGIQMYOK-CQSZACIVSA-N 424.523 1.994 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)ccc21 1587347220 BYRYXQLQXOLYAP-UHFFFAOYSA-N 402.414 1.712 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1 1587742838 QSCQQWXMEBSAGJ-IBGZPJMESA-N 407.536 1.948 30 10 HDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC=C)[C@H]1CCS(=O)(=O)C1 1588058756 BWBOHOYPAJHWMM-AWEZNQCLSA-N 406.458 1.960 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n1C)C(=O)OCC 1588122895 WKCFABGYOLTKMF-ZDUSSCGKSA-N 402.838 1.990 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)cc1 1588270998 CJTSZKOYGCWYSL-QFIPXVFZSA-N 411.506 1.925 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1588314863 SPHWNQHQSCBQKH-INIZCTEOSA-N 422.489 1.457 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC1 1588806269 LHOVQTDMYZLNNH-ROUUACIJSA-N 400.571 1.799 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(O)CCSC2)CC1 1588884962 PPNRHYFNTFSVLG-YWZLYKJASA-N 405.568 1.625 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1593630749 MYSLBXSKBAIPIH-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)Nc2ccc(C)cn2)CC1 1595392957 DQMZGZKWGRWGFT-MRXNPFEDSA-N 409.494 1.974 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1Cc1ccccc1 1595569713 NLTUJKXAYGPDOB-LJQANCHMSA-N 422.533 1.914 30 10 HDEE C#CCN(C(=O)CCSCCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1597138586 NVTJXZODXFCERZ-OAHLLOKOSA-N 418.581 1.673 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1610466171 SUQJZSSSSRFWIR-CZAAIQMYSA-N 416.526 1.727 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCS(=O)(=O)CC2)o1 1612045153 HCPDZVPMJYRGJL-HNNXBMFYSA-N 405.480 1.400 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(N(CC)S(C)(=O)=O)CC2)c1 1616013727 NEYUICOSACSYOM-UHFFFAOYSA-N 406.508 1.062 30 10 HDEE CCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617487999 VHGKDGOLYXHYBH-LIRRHRJNSA-N 400.460 1.281 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccn(CCS(C)(=O)=O)n1 1618389732 PXHGRHJOQFBDIQ-GFCCVEGCSA-N 420.919 1.902 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1619723785 SWGRHTDBENWTLP-VGOFRKELSA-N 424.505 1.680 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)C1 1621608854 HXPFMMXBRXLOTR-QZTJIDSGSA-N 418.563 1.563 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cc(Br)ccc1C(=O)OC 1621708728 RKUCKGRNUCBACP-UHFFFAOYSA-N 420.281 1.976 30 10 HDEE COCCCn1nc(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1=O 1623602999 RQSWBAKVTYEINL-UHFFFAOYSA-N 409.490 1.500 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)ccc1F 1624674744 CKHQLXAISQCFBC-UHFFFAOYSA-N 418.454 1.355 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CN2Cc3ccccc3OC2=O)C1 1624819397 LMPDSGQDEUZDHC-GJZGRUSLSA-N 400.435 1.876 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCNC2=O)c1 1625037332 WTAXTEUEDGQHMW-ZESIPNTPSA-N 406.508 1.744 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1625501310 OHZLELFGGBCTSW-UHFFFAOYSA-N 411.462 1.870 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOCc1ccc(C#N)cc1 1625510921 VPFUHWJOODULEI-KRWDZBQOSA-N 419.478 1.990 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1628373131 LPSSJTQZOOLBRD-LSDHHAIUSA-N 407.341 1.942 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1nc2ccc(Br)cn2c1F 1628385771 DEDABRWBCORGOW-QINSGFPZSA-N 422.214 1.492 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)c2cc(C)c(C#N)c(C)c2)c1 1628643522 PSEMAAJMUPCRAG-UHFFFAOYSA-N 400.460 1.452 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CC#N)cc2)cc1 1630989248 XWXUHWUGLGLGSZ-UHFFFAOYSA-N 400.460 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCC(=O)NC1=O 1631007206 DWHYVVXEXLLQLP-DOTOQJQBSA-N 412.446 1.314 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)cc1 1631074766 WXPGBVFNKLRFRP-UHFFFAOYSA-N 414.487 1.025 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC)[C@H](O)C(F)(F)F)s1 1631958771 ZUEQQPXOXSIKJW-MFKMUULPSA-N 400.444 1.573 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1632307075 AELLNSFTHAMVML-ARFHVFGLSA-N 402.582 1.522 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 1632307076 AELLNSFTHAMVML-BZUAXINKSA-N 402.582 1.522 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)N1CCO[C@@](C)(C#N)C1 1635062017 IAJBINTWNZQZMZ-INIZCTEOSA-N 400.888 1.251 30 10 HDEE C=CCC[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1635343713 WFPHNJZBMWYDED-CQSZACIVSA-N 408.524 1.200 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cccc(C(F)(F)F)n1 1637027218 BXQLUQTYXWQWBY-NSHDSACASA-N 412.393 1.955 30 10 HDEE C#CCN(CC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)OC)C(=O)OC(C)(C)C 1637713639 QXGIDJKKMAQCAZ-INIZCTEOSA-N 408.426 1.733 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)cc1 1639371229 AXFHWVJVRWTSPA-LJQANCHMSA-N 417.531 1.509 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)CC1CCCC1 1640253244 BQQHRMBKJHSYLV-QGZVFWFLSA-N 421.519 1.896 30 10 HDEE CC[C@H]1[C@H](CO)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1641669125 ZTIDCIAFCZWSOT-HKUYNNGSSA-N 405.520 1.578 30 10 HDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1643089939 MPHPWHAFWHRXKL-IJEWVQPXSA-N 404.898 1.478 30 10 HDEE CN(CC(=O)NCc1ccccc1CN1CCCC1=O)C[C@@H](O)c1cccc(C#N)c1 1643722796 WUQMGRROLKKXSK-JOCHJYFZSA-N 420.513 1.962 30 10 HDEE CCOC(Cn1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)nn1)OCC 1643889269 USLWCZGVSLSDAI-GOSISDBHSA-N 412.494 1.900 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)Cn2cc(C#N)ccc2=O)c1 1643988059 HYCCBFZFRVDSFJ-UHFFFAOYSA-N 418.475 1.398 30 10 HDEE CN(C)Cc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)co1 1645496453 CAFBNXALJZGAIF-CYBMUJFWSA-N 401.854 1.931 30 10 HDEE C#CCC1(NCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 1648363712 FWUAKGGJYVPYAT-UHFFFAOYSA-N 405.520 1.572 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccccn2)cc1B1OC(C)(C)C(C)(C)O1 1648709397 PYVPVOPOFSCARK-RTBURBONSA-N 412.295 1.514 30 10 HDEE N#Cc1ccc(CN2C(=O)NC3(CCS(=O)(=O)CC3)C2=O)c(C(F)(F)F)c1 1651810438 PHWAULALBSBKTR-UHFFFAOYSA-N 401.366 1.576 30 10 HDEE CC(C)[C@@H](NCc1ccc(C#N)cc1[N+](=O)[O-])C(=O)N(C)Cc1nnc2n1CCC2 1658500883 VEQAPACSYVKAJG-LJQANCHMSA-N 411.466 1.777 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1662072514 DEASEIYVRZKRFF-SJORKVTESA-N 402.538 1.729 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cnn(C(C)(C)C(=O)OC)c2)n1 1671978203 VMSNRVWHDXAJMU-UHFFFAOYSA-N 402.455 1.301 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)CC1 1678552567 PLNQLRBJFKOZMZ-OAHLLOKOSA-N 404.492 1.037 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 1679365912 RIOSMEXWYMBYNF-AWEZNQCLSA-N 403.545 1.922 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H]1C1CC1 1681226411 HHRBJEFETUFPCT-JONQDZQNSA-N 406.483 1.586 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCN3C(=O)COc4ccccc43)C2)nc1 1681539947 MEZPIZMKSNWZGU-QGZVFWFLSA-N 420.473 1.965 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc3ncsc3c2)CC1 1681588807 YQWGMIJOXBEGDQ-ZDUSSCGKSA-N 407.521 1.152 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 1683289107 NFWCAOLYGMRCTN-SFHVURJKSA-N 412.490 1.177 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCCn4cncn4)CC3)n[nH]2)cc1 1684282515 LIGRFMBJZQEEEC-UHFFFAOYSA-N 405.466 1.462 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1689835518 NXGWLAHAKOLNLN-RLBWVDARSA-N 420.473 1.938 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1689839710 LBBAEUANBUSYDC-OAHLLOKOSA-N 407.482 1.247 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1689988684 UMASHIMEYMBCDQ-JKSUJKDBSA-N 419.551 1.292 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1689994054 PVTOFRHVAIJLBG-QGZVFWFLSA-N 402.524 1.122 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ncnn1-c1ccccc1 1690103416 CFYYGXBNWPYUCV-QGZVFWFLSA-N 407.478 1.497 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC(C)(C)N2CCOCC2)CC1 1690115308 ASBNMWXPGYDEHF-UHFFFAOYSA-N 412.538 1.713 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2OCC[C@H]2C)CC1 1690146083 FMDLCWUVDAAXTA-BHIYHBOVSA-N 415.538 1.911 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccncc1Cl 1690189759 BHXDWGCZLVPKFO-FZKQIMNGSA-N 422.942 1.977 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(C)(=O)=O 1690196239 CSCQOEAVWBHFLV-GOSISDBHSA-N 403.464 1.890 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN2CCCO)CC1 1690375867 VVUIRAKGUALHHW-ROUUACIJSA-N 423.583 1.183 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@]1(OC(C)C)CCOC1 1690677175 QFSJSUGOLYNDIA-UWJYYQICSA-N 421.542 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690723836 BXMLEOWLZMWITF-MSOLQXFVSA-N 424.567 1.636 30 10 HDEE Cc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1693063499 GOOVFTIKXHYKKE-VBKZILBWSA-N 411.466 1.965 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCCOC2)CCO1 1698492173 CCELGDHVZPFKQR-CABCVRRESA-N 416.507 1.425 30 10 HDEE C#CCCCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1705521889 ONGPSGWDXJEDKG-UWJYYQICSA-N 403.527 1.789 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(F)ccc1F 1705621123 SDWANUYMYUELPE-UHFFFAOYSA-N 403.433 1.927 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC2CCCC2)CC1 1705639223 JEEFAKCSGBDJDN-IBGZPJMESA-N 419.595 1.906 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705830536 RVRYUIJYTMELPZ-OALUTQOASA-N 416.526 1.785 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1705875778 FXRDUOCQXURRJO-DNVCBOLYSA-N 406.508 1.859 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1Cl 1705901109 ANMGFCGSBPOEJS-OAHLLOKOSA-N 402.886 1.821 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705902764 MXHXJOJTJUUHMI-NRFANRHFSA-N 414.510 1.450 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1705907573 QOWISWNCFNYYJQ-ROUUACIJSA-N 414.558 1.361 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2C[C@H]2CCC(=O)N2)c1 1712877189 DBAFALKSWJPXGU-GOSISDBHSA-N 421.505 1.577 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOc2ccccc2)CCO1 1712883084 KNJARGOCHRGMCU-SFHVURJKSA-N 410.478 1.712 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1722332974 FUWFNHSRLSQFOT-ZWKOTPCHSA-N 421.567 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1C 1722397492 QVPOFCGREYCRLN-KZNAEPCWSA-N 404.536 1.316 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCC2)C1 1722719931 CINZWGABPMZMLO-HNNXBMFYSA-N 417.535 1.966 30 10 HDEE CC(=O)N1CCCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1 1722772441 APMHWNDPIVFRHY-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1724461186 HGLSWOGEFLWTJC-CVEARBPZSA-N 412.519 1.886 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CCN(c3ccc(C#N)cn3)CC2)nnc1C(C)(C)C 1729616852 HPWFFQQZSPMKDD-UHFFFAOYSA-N 424.553 1.941 30 10 HDEE C#CCCCCn1c(CC)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1740573140 JRONYMHBUNFJTD-UHFFFAOYSA-N 406.512 1.284 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1Cc1ccoc1)[C@@H]1CCS(=O)(=O)C1 1740624973 BZGWNLMELQENOY-IAGOWNOFSA-N 404.492 1.788 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCOCC(F)(F)C(F)F)CC1 1740695895 HAQBAFCVXFTHTO-AWEZNQCLSA-N 419.423 1.454 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740712440 ILHCGMVXHDIZPA-KRWDZBQOSA-N 415.544 1.806 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)c1ccccc1 1740796753 DSVHXCBILSDBMP-GOSISDBHSA-N 423.521 1.686 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 1740946339 JGIYQKBLFFVQKU-QGZVFWFLSA-N 412.469 1.907 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1740963827 YFPSNIZHDZTFQA-FQEVSTJZSA-N 409.425 1.473 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1Cc1nccc(C(F)F)n1 1741134442 APEYJTCOLHFONM-GFCCVEGCSA-N 404.425 1.772 30 10 HDEE CO[C@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1748382463 MNBBQXBWQSPPEK-FOIQADDNSA-N 415.519 1.867 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1748730036 CJBOSTUJJFREJC-GOSISDBHSA-N 423.521 1.497 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C(=O)OC(C)(C)C 1748790875 NZJXWXJJLMLWKB-CQSZACIVSA-N 411.528 1.117 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCN(C(=O)OC(C)(C)C)C2CC2)CC1 1748992639 CJSWTABYNCYYBC-UHFFFAOYSA-N 402.543 1.995 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749010178 OSBSZFICMMJNGY-QXAKKESOSA-N 415.538 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2CCC(OC)CC2)CC1 1749019522 XROSPVBRZOAMJC-UHFFFAOYSA-N 417.554 1.986 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1749022562 KJUKYFURDHUYSW-QKLQHJQFSA-N 424.567 1.753 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1749033236 BMMOEDMJFVPXTQ-UHFFFAOYSA-N 402.568 1.313 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(CC(N)=O)CC1 1749043786 KNVMPYPKCMIVNG-UHFFFAOYSA-N 415.567 1.598 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1749102040 ITDCFIJTSDKYKK-CHWSQXEVSA-N 411.304 1.295 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](CCC)C1 1749199234 KNVAUQBIMVZKEA-GOSISDBHSA-N 404.559 1.914 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OCC)n1C[C@]1(O)CCN(C)C1 1749502191 RTPUPWYGGRNKSY-NRFANRHFSA-N 401.511 1.945 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](C(N)=O)C1 1749653045 VDNBMSORKGRKLF-ZIAGYGMSSA-N 416.457 1.171 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1749664640 VIKJUCDUBXJNEV-CKJXQJPGSA-N 412.494 1.415 30 10 HDEE COCCN(C)CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1749778557 HIJOMCROFHYATR-HNNXBMFYSA-N 424.509 1.768 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(C#N)o1 1749932046 NDVNKFQKHUDYGW-ZIAGYGMSSA-N 402.455 1.182 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1760114948 VYOIMDORTYKFGP-LSDHHAIUSA-N 404.515 1.944 30 10 HDEE C#CCCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1760159681 MNMIUOAIVMONMM-UWJYYQICSA-N 403.527 1.789 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1760187762 FYLXQOCHIXNPKK-HZPDHXFCSA-N 403.508 1.327 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1Cc1nnc2n1CCC2 1760207200 APNNSRUJAUVVJA-UHFFFAOYSA-N 401.474 1.824 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N(C)C 1760218147 YXBOHAMCMBDJDK-VQTJNVASSA-N 404.518 1.995 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1760364862 DUAGHUOJLHAPKE-QWHCGFSZSA-N 403.936 1.524 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CCCOC2)C1 1760366249 UQUYLAPMSFSYKG-CJNGLKHVSA-N 403.936 1.648 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(CC)S(C)(=O)=O)CC1 1760387660 SBVGIAHTZOSCIE-HNNXBMFYSA-N 410.544 1.057 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1760445691 SHSGMKDVLWEGHC-QGZVFWFLSA-N 418.542 1.602 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](OCC)C1 1760450665 PKYZQQYXVRCGGR-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760526563 CCHHOBSNJPFFSE-APWZRJJASA-N 408.506 1.790 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1760537834 QPPQEFVJCWAFBP-JYWFKMLOSA-N 422.526 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nccnc2C)C1 1760549851 NWPYGOYXKRQQMK-KRWDZBQOSA-N 411.510 1.523 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1Cc1ccc(C#N)o1 1761492863 BIUZIQICRAADNV-IOASZLSFSA-N 404.496 1.780 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCO[C@H]1C 1762225293 BSSUHHWZSXLARG-XOBRGWDASA-N 404.515 1.476 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)c2cc[nH]n2)C[C@@H](C)O1 1763081552 IBNJIVJQEUAZLO-HUUCEWRRSA-N 420.477 1.583 30 10 HDEE COC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769487428 ULGVKDKDNSTOIB-KBPBESRZSA-N 400.439 1.572 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1770054322 YNWCOKRWUAQHOX-KURKYZTESA-N 420.558 1.851 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1850428162 SMGPWYXRPLZOGY-GOSISDBHSA-N 422.507 1.468 30 10 HDEE N#Cc1cccc2c1CC[C@@H]2NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1852270850 IRHYKHQEJCFILW-FQEVSTJZSA-N 411.483 1.996 30 10 HDEE COc1ccc(OCC(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)c(OC)n1 1852784681 MRBCBKHBHSEKCW-UHFFFAOYSA-N 411.358 1.348 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)c2cnn3c2OCCC3)cc1 1852832290 PXXCUIZWKDOUGJ-SFHVURJKSA-N 412.446 1.474 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2=O)cc1 1853941402 RYHRQAOIIOIUPK-UHFFFAOYSA-N 401.419 1.512 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1 1854089503 LNLGWYZTLNVQDT-QGZVFWFLSA-N 401.488 1.200 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CC[C@H](Oc3ccncc3Br)C2)C1=O 1854194887 BZXGXJVVUQMVJT-JSGCOSHPSA-N 407.268 1.728 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2COc3ccccc3C2)C(=O)C12CCCC2 1854431729 GHTBGSRKRFVKHH-MRXNPFEDSA-N 417.487 1.075 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(OC(F)(F)F)c2)CCN1S(=O)(=O)CC#N 1854723631 YSYMXHXOVVNBOZ-JTQLQIEISA-N 405.354 1.111 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cn3cnc4ccccc43)C(=O)C2)C1 1854957313 WIDOWOLAPBECOD-ZWKOTPCHSA-N 408.506 1.474 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3cccc(F)c3)C2)CC1=O 1855104087 LDCZLIGWKWAAQC-GOSISDBHSA-N 423.510 1.367 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)CCN1CCC#N 1855869853 KSORLDMXCQMEGK-UHFFFAOYSA-N 404.417 1.400 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1C[C@H]1c1ccccn1 1855961974 YXOFTOPIYATHIU-SJORKVTESA-N 424.482 1.835 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)C(=O)C12CCCC2 1856250393 SWGYEDAQJHNAAE-QGZVFWFLSA-N 413.522 1.166 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccnc2OC)C1)[C@H]1CCN(C)C1=O 1857068174 LWETWGUTPNFNJU-WBVHZDCISA-N 400.479 1.188 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3cccnc3O[C@H]3CCOC3)C2)CC1 1857205489 JUJOVMGSJLREPS-MSOLQXFVSA-N 412.490 1.864 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1857351323 BXEMCUDSHBNGIT-KRWDZBQOSA-N 423.922 1.867 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc2c(c1)OCCO2 1862560754 IGTZWDFWBCZCDT-CWTRNNRKSA-N 410.426 1.999 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccc(O)c(O)c1 1862591319 GTTHZSIOINMRIO-SFHVURJKSA-N 412.398 1.518 30 10 HDEE Cc1nnc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)c2ccccc2)o1 1867037097 WLHMSQQEHHKTNL-MOPGFXCFSA-N 419.441 1.888 30 10 HDEE C#CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870560936 RCXOUBKTXMDLNE-IBGZPJMESA-N 409.490 1.152 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCN(C)C 1870633322 PPWLMHCUNMRVIN-UHFFFAOYSA-N 404.555 1.831 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccncc2)cc1OC 1874237866 KWEFWYBMZPIACA-SSDVNMTOSA-N 412.475 1.741 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccncc1 1874337477 LYIQDWFEFWXNEO-IEEVUCOHSA-N 402.480 1.545 30 10 HDEE CC1(C[S@](C)(=O)=NS(=O)(=O)N2CC(C#N)C2)CN(C(=O)OC(C)(C)C)C1 1877682029 MUPXPUOBUHGBRS-VWLOTQADSA-N 406.530 1.041 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](COc3ccc4nnc(C(F)(F)F)n4n3)C2)ccn1 1889736511 FXXDCXPQBLYOSB-NSHDSACASA-N 417.351 1.951 30 10 HDEE CN(C)c1nccnc1OCC1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1891576018 LAOGTWUOLDNFNN-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1CO 1981513058 CTYBXSRCDQMPIN-VXGBXAGGSA-N 413.334 1.432 30 10 HDEE CCO[C@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CCC1=NO 2090631661 OLSFXZWDUPVBLS-KRWDZBQOSA-N 423.491 1.334 30 10 HDEE CN(Cc1ccc(C#CCO)s1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161941355 VSZLNIVBPSEXCU-UHFFFAOYSA-N 406.529 1.670 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2168103443 RPUCICPEEZLGOP-QWHCGFSZSA-N 415.899 1.860 30 10 HDEE COC(=O)[C@H](CCNS(=O)(=O)CC1(C#N)CCCC1)NC(=O)OC(C)(C)C 2174784236 LXKGYMJMQMKWJR-ZDUSSCGKSA-N 403.501 1.446 30 10 HDEE CCOC(=O)NS(=O)(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186627378 LQMMJIGYLQXHFG-SECBINFHSA-N 405.307 1.084 30 10 HDEE CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)[C@@H](CC#N)C(F)(F)F 2197502165 FJCPZXNXUBTEAD-QWRGUYRKSA-N 413.418 1.227 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2211150932 HFOZLPZKLOWXIG-PMPSAXMXSA-N 423.510 1.201 30 10 HDEE C[C@@H](CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2247802683 VJEJMMYLUZGMES-YCRPNKLZSA-N 422.331 1.745 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)n1 2247914237 IBWMQPYDNWZDPT-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE CCN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247915752 IZRJDGJJZIVTST-UHFFFAOYSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2248402609 YYNSBDICBLBDKN-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCC2(C)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2255933265 MJYYMEQEJHOSRK-UHFFFAOYSA-N 417.358 1.705 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2267352372 DMNJJKPZJYJMIK-NXEZZACHSA-N 406.766 1.729 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCC1 2270495737 FTVPDVIGMMUJEO-ROUUACIJSA-N 422.503 1.566 30 10 HDEE CS(=O)(=O)c1ncc(Br)c(C(=O)NCCC#CBr)n1 2271458403 CVCGDDBDSYIMLN-UHFFFAOYSA-N 411.075 1.118 30 10 HDEE C[C@@H]1CC[C@](O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491919 MSGQDAIEYYITFS-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC(C)[C@H](CCO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504220 LSLGXZVWPQHZPY-AWEZNQCLSA-N 403.375 1.874 30 10 HDEE CC(C)(CO)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282504372 NTHOEORBOALMFG-UHFFFAOYSA-N 403.737 1.936 30 10 HDEE CC[C@@H](C)[C@@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506543 UDBRIBAKRINVKX-TZMCWYRMSA-N 403.375 1.874 30 10 HDEE CN(C)C1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282510125 UURVKCTUWQZVHQ-UHFFFAOYSA-N 400.737 1.574 30 10 HDEE C[C@@H]1OCC[C@@]1(O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639877 GJZUBUZDHJIVRU-DYZYQPBXSA-N 401.721 1.970 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282664487 DFCXZVNTGCDFII-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](N)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834966 ZGXLLDHQYPSXSC-OLZOCXBDSA-N 400.375 1.856 30 10 HDEE CC1(C)CC(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282839629 GWXXEQSZHRGQJI-UHFFFAOYSA-N 400.331 1.531 30 10 HDEE CC(C)[C@H](C)[C@H](N)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856661 WJHYJYISAOBMKK-GXTWGEPZSA-N 402.391 1.945 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2284396907 GQYYUKBJMFQDFR-UHFFFAOYSA-N 403.331 1.145 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)OC1(C)C 2284400200 SVAUNXZBXXQGLH-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CC1(C(=O)O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2284409421 JCEDKCXXBUIVKH-UHFFFAOYSA-N 421.733 1.796 30 10 HDEE O=C1C(=O)N(CCO)[C@@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccc([N+](=O)[O-])cc1 2296125990 YDNMMRXVQNNNHG-INIZCTEOSA-N 413.342 1.917 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)[C@H](O)C1 2304809551 MJDQAGPYMYFOAW-LSDHHAIUSA-N 423.294 1.912 30 10 HDEE CC#CCN(CC(=O)Nc1nnc(SCC(=O)O)s1)C(=O)OC(C)(C)C 2337854763 YUALZZWGWATJTR-UHFFFAOYSA-N 400.482 1.914 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3[C@H]4CN[C@@H]3C4)cc2Cl)OC1(C)C 2359281996 YNYJNIPPWDOMMG-JFGNBEQYSA-N 418.777 1.587 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2367788574 ONGZOBQZIWEFSN-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE Cn1nccc1C#C[C@H](OCC(=O)O)c1ncc(I)s1 2367798181 YLJAQXDKQAJDCL-VIFPVBQESA-N 403.201 1.675 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819819 YYTBMUABDJROTJ-UCLAIMLFSA-N 400.541 1.435 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)C1CCCC1 2369617577 BOJQPXQGFRQKPD-MDZRGWNJSA-N 401.525 1.638 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2370665111 HCRJSZCZSFRXNK-YGTYGHESSA-N 400.541 1.291 30 10 HDEE COc1ccc(CN2CCN(CC(=O)N[C@@](C)(C#N)C3CC3)CC2)c(OC)c1OC 22808099 NBYPBKYBTBTIQP-QFIPXVFZSA-N 416.522 1.638 30 10 HDEE N#Cc1ccc(CN2CCN(CC(=O)NCCN3CCc4ccccc43)CC2)cc1 51591769 IUSICAXSLHTLSG-UHFFFAOYSA-N 403.530 1.855 30 10 HDEE COc1ccccc1CNC(=O)CSc1n[nH]c(N/N=C/c2cnn(C)c2)n1 59310872 LIJOBMJOBGMLIY-FBCYGCLPSA-N 400.468 1.401 30 10 HDEE O=C1CCCC(=O)N1CCS(=O)(=O)NCC#CCOc1cccc2cccnc12 90743183 IPLJLNKDBKEDMN-UHFFFAOYSA-N 415.471 1.076 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 409474537 FGHDASPBHQWBEY-CQSZACIVSA-N 422.429 1.660 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@]2(C1)NC(=O)NC2=O 434798226 YJMNKJHVGOOEGW-MPBGBICISA-N 415.519 1.890 30 10 HDEE C=CCn1c(SCC(=O)N[C@H]2CCC(=O)NC2=O)nnc1-c1ccc(Cl)cc1 436018758 KRRXJQLEORCZKN-ZDUSSCGKSA-N 419.894 1.798 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4[nH]3)CC2)cc1 447673152 WWHZVKHPUBTGLO-UHFFFAOYSA-N 412.431 1.854 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccco1 460387871 MQVSASFCBRYDNN-HOCLYGCPSA-N 409.512 1.978 30 10 HDEE C[C@H]1[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC(=O)N1Cc1ccccc1 466850208 YVXFSPCMYFAUFG-PXNSSMCTSA-N 418.501 1.974 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)c(F)c1 476237097 LVWBMANWFOFNSV-GOSISDBHSA-N 415.469 1.309 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)CC1 476290542 USUVLTCIIFGCPM-QGZVFWFLSA-N 403.502 1.424 30 10 HDEE COC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1ccc(F)cc1 482493315 FTUCXINUJWUFLV-UGSOOPFHSA-N 405.451 1.868 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N 489640311 JHOBDOYAXJEWPE-INIZCTEOSA-N 412.537 1.277 30 10 HDEE C[C@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 503892311 LGSBODCZJBIBSO-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 507537348 ZFQOMQUSSROKDC-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(Cc2ccccc2)c1=O 525265779 KPYRFCXBZHNAGZ-UHFFFAOYSA-N 405.479 1.641 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN(CCC#N)CCN2CCOCC2)CC1 530905506 VNAJKJMUXPDBAG-NRFANRHFSA-N 413.566 1.440 30 10 HDEE CNC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 542027930 FJJSXSUPPLWCSE-UHFFFAOYSA-N 401.858 1.293 30 10 HDEE N#Cc1cccc(N2CCN(c3ncc(Br)cc3S(N)(=O)=O)CC2)n1 546177271 MKZVPIQRYHZTAV-UHFFFAOYSA-N 423.296 1.085 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)O)c(C(F)(F)F)c1 547890404 VLILCUJVLKMXCB-CYBMUJFWSA-N 405.398 1.794 30 10 HDEE CC(C)(C)n1cc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 549370032 JURFWSHLQVAEEU-RDJZCZTQSA-N 402.495 1.737 30 10 HDEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)nn1-c1cccc(C#N)c1 549518803 SKWVASGTQFPMJT-UHFFFAOYSA-N 413.503 1.693 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)n1C 578984204 GCYRTSVYGILACD-UHFFFAOYSA-N 400.458 1.636 30 10 HDEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 587415980 JEMAOPQLPRTDFJ-BXUZGUMPSA-N 405.398 1.670 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 589482321 VPPJDEWKNJBGLZ-UHFFFAOYSA-N 403.435 1.569 30 10 HDEE N#Cc1ccc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)c(F)c1 609231775 MQTHJWJHVAHAIY-HXUWFJFHSA-N 406.417 1.789 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@H]1C(=O)NCc1ccc(-c2ccccc2C#N)cc1 611351530 SKGZBJRSDPFTKR-NRFANRHFSA-N 404.470 1.969 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)c(F)c1 613475734 ZNOQORSMJFYTDF-UHFFFAOYSA-N 401.419 1.803 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(OC)nc2)N(CCCCC(=O)OC)C1=O 726887679 JDWZZTAQEKRUBE-CYBMUJFWSA-N 408.480 1.501 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 734273919 QFCPZZHOJDWQCP-MRXNPFEDSA-N 415.494 1.334 30 10 HDEE COC(=O)[C@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 740176694 ABNMZUZUNBHJFA-QZTJIDSGSA-N 424.388 1.575 30 10 HDEE COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 746680825 QLUIJCQKXUBFFM-UHFFFAOYSA-N 409.489 1.296 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 748415698 ICLDLDFFPRXTKN-SJORKVTESA-N 420.487 1.218 30 10 HDEE N#Cc1c(N2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)cccc1S(N)(=O)=O 755020539 SMABYBBGKHNRJS-HNNXBMFYSA-N 420.516 1.616 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3cccnn3)CC2)C1 758767906 JFOFRUQHKPLFCJ-GJZGRUSLSA-N 401.471 1.067 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ccccc2C)CC1 761928577 YZYBOFMTDRDMKB-UHFFFAOYSA-N 407.474 1.416 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC[C@H]1COc2ccccc2O1)c1cc[nH]n1 772387177 KQUHXEQVDQFQMK-ZDUSSCGKSA-N 402.407 1.040 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnc(CC(C)C)s2)c1=O 772897649 LECQXPAISLDNPP-UHFFFAOYSA-N 416.572 1.780 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cc1 780862081 HMDDLVZPMDSICZ-JOCHJYFZSA-N 422.485 1.904 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 788628011 VMHZMOJLYYHHBQ-UHFFFAOYSA-N 421.563 1.573 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)NC1CCN(c3ccc(C#N)cn3)CC1)C2 792969361 AYXRRSBNBXAPQK-HRAATJIYSA-N 413.478 1.143 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCc1ccc(Cl)cc1-n1cncn1 795516596 AWPRXUCXWFJJDM-ZCXUNETKSA-N 401.810 1.880 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OCC)c(C)cc1F 795805643 KNLJMAVEQAPRSK-ZDUSSCGKSA-N 417.480 1.122 30 10 HDEE COC(=O)[C@@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)c1cccc(Br)c1 798433054 UXMAIABFFWNWNZ-HWPZZCPQSA-N 406.240 1.678 30 10 HDEE Cc1ccncc1N1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 798455211 GCEWVSSUFIQHGZ-IRXDYDNUSA-N 414.510 1.981 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 809890176 VSVWDBROYJURHK-WMLDXEAASA-N 402.451 1.623 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 812180504 KLKVQCCQDCMPHG-HXUWFJFHSA-N 424.549 1.946 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 812360137 VCFPGBBXAVSMNI-ZFWWWQNUSA-N 409.537 1.179 30 10 HDEE CCOc1ccc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)cc1 1084337272 WIJPZHNRGCJFHX-UHFFFAOYSA-N 403.512 1.516 30 10 HDEE C[C@@H](C(=O)NCc1ccc(C#N)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1129735627 QWNRWFGNZWYLRS-ZDUSSCGKSA-N 404.442 1.781 30 10 HDEE COc1ncc(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)cc1C#N 1133850540 OPJPMFZNYFSRMT-UHFFFAOYSA-N 416.397 1.744 30 10 HDEE COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(O)C1=O 1141380032 DJVAFBHPZIJNCE-XOBRGWDASA-N 405.451 1.468 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCCN2CC(F)F)s1 1147459380 KDEJDRIYVSDRKA-LBPRGKRZSA-N 407.508 1.601 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1152566569 YBXMQLRAUIJMDL-HKUYNNGSSA-N 414.506 1.807 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Cl)cc2NCC(F)(F)F)CC1 1157008976 HFYJPNLBQUEHGZ-UHFFFAOYSA-N 416.831 1.821 30 10 HDEE N#Cc1c(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc([N+](=O)[O-])c1N 1161947621 KLGCBHJIGJROGN-UHFFFAOYSA-N 405.411 1.699 30 10 HDEE C[C@H](OCCCNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1176421699 HDXLSVRHEGZZIP-QRFRQXIXSA-N 405.520 1.141 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC2(CC1)C[C@H](O)CNC2=O 1198354419 FKOWHHIBFXUASE-CVEARBPZSA-N 416.547 1.840 30 10 HDEE Cn1cc(CNC(=O)N2CCC(n3cnnc3O)CC2)c(-c2ccc(C#N)cc2)n1 1233990323 FRJZAWAERAMHNS-UHFFFAOYSA-N 406.450 1.803 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253779308 NYKRKMJYEBJHQN-HOTGVXAUSA-N 407.511 1.389 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccccc3N=S(C)(C)=O)CC2)c1C#N 1269302886 FKILYIAMSDDCNC-UHFFFAOYSA-N 400.508 1.922 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)Cn1ncn2nccc2c1=O 1275390424 YVGWIUVNMZPVKK-UHFFFAOYSA-N 404.224 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(Cn3cccn3)cc2)CC1 1286488694 RDJAKBQPCBUBFE-UHFFFAOYSA-N 417.517 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286556443 PISHUWJUIUPNAF-ZMMAXQRCSA-N 403.527 1.855 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286688285 PTCGDVFOZGTPTP-HNAYVOBHSA-N 407.540 1.395 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)C1 1286810517 SEHAYXSPGSFDHN-ZIAGYGMSSA-N 417.432 1.632 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOC1=O 1288124041 ADIDJFCCTMATKX-LJQANCHMSA-N 403.487 1.389 30 10 HDEE N#Cc1cn(CCC(=O)N2C[C@@H](C(F)(F)F)C[C@@H](C(F)(F)F)C2)c(=O)nc1O 1291911619 IAPWUAUTULVNFL-AOOOYVTPSA-N 412.290 1.800 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(C#N)o1 1292013039 HGRIKPIUFFTLCH-ZDUSSCGKSA-N 413.482 1.376 30 10 HDEE C#CCCCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300375685 AGEWPVQXDVBNAG-WIYYLYMNSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1300448892 ILNMQQGBGKDEME-AWEZNQCLSA-N 412.450 1.020 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)cc1C 1300459155 PBTHJIDVZLJNLB-KRWDZBQOSA-N 401.536 1.672 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1300473352 SQPQWUCHADWWMK-SFHVURJKSA-N 422.489 1.293 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1ccnc1 1300663816 JIGGLTNHYJHZIC-SFHVURJKSA-N 419.489 1.549 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC[C@@H](C)C1 1300664301 QKFXXJHVFBLTAC-MSOLQXFVSA-N 416.570 1.826 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)CCOC 1300779321 UWOOUCNLOBKYNO-RTWAWAEBSA-N 412.494 1.705 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCNS(=O)(=O)CC 1300813933 WBYUEDHZDTWGJG-LJQANCHMSA-N 419.555 1.071 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1301259914 QPAZTIKANZEISR-UHFFFAOYSA-N 418.542 1.398 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1301268672 PRZJWFGZNZFJBR-UHFFFAOYSA-N 415.889 1.561 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1301273534 SDWBMMWUCOKAPY-AWEZNQCLSA-N 421.523 1.604 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1301557082 MJRPJSWPTSRPQP-KBPBESRZSA-N 409.537 1.466 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1301557860 RTGQRAPSKXGXRX-SJORKVTESA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(F)F)CC1 1301585127 HUCRHXZUJYSFQF-UHFFFAOYSA-N 403.499 1.534 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1303546582 PDFWWZCMGWSJTJ-HNNXBMFYSA-N 402.451 1.639 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(C(=O)N(C)C)CCCC1 1303635249 CKFLYKRCUQLBRU-GJZGRUSLSA-N 401.515 1.616 30 10 HDEE C[C@@]1(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1303991104 NGZISRCUTZNFKJ-GHTZIAJQSA-N 413.478 1.434 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC(F)(F)CO1 1306194645 ONEWMEOCKSKYAI-HNNXBMFYSA-N 403.437 1.858 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC 1309511948 ITRHIDZOWDLXMD-HIFRSBDPSA-N 404.510 1.469 30 10 HDEE C#CCN(C(=O)Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1CCS(=O)(=O)C1 1310990941 PJMYKYBMIFMVTF-HNNXBMFYSA-N 403.435 1.631 30 10 HDEE CCN(C)C(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1313553555 DETNYFZRCZYCNQ-UHFFFAOYSA-N 408.510 1.302 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@@](C)(C#N)C1 1314674904 HFWCBNISFFWVSC-SFHVURJKSA-N 405.528 1.305 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)C1 1320187115 NXBDHKADKLOMKO-INIZCTEOSA-N 407.536 1.954 30 10 HDEE CN(C)C1CCN(C(=O)Cc2noc([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)CC1 1320850952 FCIPTXWRIYPSHG-INIZCTEOSA-N 422.489 1.557 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(CN3CC[C@@H](c4ccccc4)C3=O)CC2)cc1 1323529436 LOQQCJCDRGMVSZ-NRFANRHFSA-N 424.526 1.838 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1337193852 VAIJSJVZJVFNQH-ROUUACIJSA-N 403.504 1.123 30 10 HDEE N#C[C@]1(NC(=O)[C@@H](CCC(N)=O)NC(=O)CCCc2ccccc2)CCSC1 1355868388 PQUZEZGGOFELHU-OXQOHEQNSA-N 402.520 1.275 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 1357704762 YZMJUOKISWNKNZ-UHFFFAOYSA-N 401.400 1.614 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1358892807 HFUFBYLDZWHAFC-OAHLLOKOSA-N 407.478 1.489 30 10 HDEE C#CCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOCC1 1358906947 YKYKWSBQBRXLFN-UHFFFAOYSA-N 417.535 1.836 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1358920392 YFBSRTGOJITHOW-CVEARBPZSA-N 418.523 1.354 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1359005326 DIUYPXCHDRALPK-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCOC2CCOCC2)CC1 1359034892 FXJRNCUKHJABPQ-FQEVSTJZSA-N 417.554 1.861 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCS(=O)(=O)C1 1359074715 ONOYJFBIWDQWKE-NHAYFPRASA-N 422.551 1.429 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(C[C@H](O)COc2ccccc2)CC1 1359286448 QUPNBACPBGFDJN-SFHVURJKSA-N 421.505 1.483 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359300161 VNBPVEZHSZIKLG-HOTGVXAUSA-N 420.514 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359330664 YPRCZZLXLYJOOW-RDJZCZTQSA-N 405.524 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(CC(=O)NC)CC1 1359334737 PFFMDHYSEJNIHH-UHFFFAOYSA-N 409.556 1.184 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3ccc(-n4cnnn4)cn3)CC2)c1 1360377479 KPTKHGJSZAESDP-UHFFFAOYSA-N 402.418 1.420 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2C(=O)N(C)Cc3ccccc32)ccc1F 1437814492 KDIPNYQROKIBSH-GOSISDBHSA-N 417.462 1.733 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1c(I)cnn1C 1438764326 NTPHHQNTYCPFQK-JTQLQIEISA-N 410.215 1.980 30 10 HDEE Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1 1440865884 IAHPTQMOKPUPRS-UHFFFAOYSA-N 417.425 1.698 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](C)C(=O)OC(C)(C)C)s1 1452476848 MTYRSVKRMHVHOA-LBPRGKRZSA-N 402.538 1.849 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1455081257 ZIPINEIZJYMFQS-LJQANCHMSA-N 408.458 1.907 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(Cl)c(S(N)(=O)=O)c3)C2)nc1 1456063420 NAJFLPLIVCFYPW-AWEZNQCLSA-N 419.894 1.971 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@H](C#N)Cc1ccc(C#N)cc1 1462698425 LGQRVGLLKRLCPO-FQEVSTJZSA-N 417.469 1.132 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)c(C)s1 1462932322 AMYXBQDWQSUDLM-UHFFFAOYSA-N 419.594 1.941 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cccc(C(=O)OC)c1Br 1464288503 BGKCAUHNCKPEKA-UHFFFAOYSA-N 404.307 1.975 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 1468539619 UGIRPRQEOLWDQA-IIBYNOLFSA-N 415.494 1.362 30 10 HDEE C=CCn1cc(CNC(=O)c2cc3n(n2)CCC[C@H]3NC(=O)OC(C)(C)C)nn1 1469216548 XCGNNOHXZYLKLV-CQSZACIVSA-N 401.471 1.950 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1475379944 VBGZZCVEJJHPEM-LLVKDONJSA-N 414.270 1.562 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COCc1ncc(C)o1 1490840586 IELFYKVGZBJZMK-SUFIHLRJSA-N 403.479 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1507544389 VNOJVTYZMSMZQK-WBVHZDCISA-N 410.478 1.612 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1507623873 YQTFRDCXNIRNOE-MRXNPFEDSA-N 404.540 1.489 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCc2nccn2C1 1507659703 CYHHIDJJPDYTJW-RTBURBONSA-N 410.522 1.924 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1507668147 UXOUSUAFJQTLJS-UHFFFAOYSA-N 411.462 1.010 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)OC)CC1 1507734867 ANNPJHONIUPNLR-MRXNPFEDSA-N 406.490 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ncnn2C(C)(C)C)CC1 1507738656 UIUUKBRFJGTKCP-UHFFFAOYSA-N 410.526 1.516 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1507848288 WBUUZYCGCQUONQ-GOSISDBHSA-N 423.583 1.828 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCOC[C@@H]2C)CC1 1507909218 WRZVOGXKFHIZED-KRWDZBQOSA-N 402.543 1.524 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1CCC(=O)N1 1508041684 KZNGDBNRYZRJSH-MRXNPFEDSA-N 409.494 1.434 30 10 HDEE C=CCn1c(N2CCCN(Cc3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1508066470 RTWAMSNXUGDGCI-OAQYLSRUSA-N 415.542 1.562 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1CC 1508092240 PBYJVLHHQYQXGC-CQSZACIVSA-N 402.524 1.951 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](CC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508098869 SATZPSZUPFPSAT-OXQOHEQNSA-N 423.583 1.953 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2CCOCC2)C1 1508127294 URGHZDXWRQMFIE-ROUUACIJSA-N 424.567 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CC 1508144843 HZUQFOILKPYIBO-LSDHHAIUSA-N 416.569 1.160 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1508390299 WSFBFDCWSOYVHQ-ZWKOTPCHSA-N 407.478 1.058 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1508422754 FCBRYYMSPRHDHM-GJZGRUSLSA-N 417.539 1.285 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1O 1510027711 AZQKDIPKZXYSEC-HLIPFELVSA-N 410.522 1.745 30 10 HDEE C[C@@H]1C[C@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1514699838 SMMUSNWBUKOLGX-KBMXLJTQSA-N 418.498 1.617 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1517128029 OTIQPZSFVVNIEW-RBUKOAKNSA-N 424.505 1.562 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1=O 1519205293 CGCJWAXUXGGUJY-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE Cc1cc(C(=O)N2CCC(N(CC(F)(F)F)S(C)(=O)=O)CC2)ncc1C#N 1531592936 LZPGMYMDJHNZNC-UHFFFAOYSA-N 404.414 1.690 30 10 HDEE CC(=O)NC1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1534678617 FQGNVQOEMLWJGD-LEOMRAHMSA-N 411.462 1.327 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2=O)cn1 1537428936 JEAPUZHHSGGSQM-INIZCTEOSA-N 420.473 1.995 30 10 HDEE N#C[C@]12CN(C(=O)CCCCNC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1539118278 KXUMNSRKWGYVOW-FXAWDEMLSA-N 419.503 1.480 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1539210764 GHVPTCHSNBSRIG-INIZCTEOSA-N 402.520 1.651 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OC)n1C1CC1)[C@H]1CCS(=O)(=O)C1 1539230131 KMIAFLRWVOWTJC-INIZCTEOSA-N 416.503 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1539333926 PTMNFDNZXJSGCA-QHCPKHFHSA-N 419.485 1.997 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC1(NC(=O)OC(C)(C)C)COC1 1539363895 XESFCXAFACHXMM-UHFFFAOYSA-N 413.482 1.488 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1539369670 NZBMUYNKMIFYMD-KRWDZBQOSA-N 421.567 1.651 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2cccc(CS(C)(=O)=O)c2)CC1 1539445984 MRPSKKRHWDDKQP-UHFFFAOYSA-N 413.547 1.504 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2snnc2C)CC1 1539467529 TZAIHMZPQVTWPT-UHFFFAOYSA-N 401.540 1.750 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(NC(C)=O)cc2)CC1 1539481464 AFVVDNZDWKUACN-UHFFFAOYSA-N 408.506 1.813 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1=O 1539923321 WWXPBEGBEYEATC-CQSZACIVSA-N 422.482 1.117 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540854994 SERPPTHKGQXVOF-LJQANCHMSA-N 401.492 1.394 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1540859785 HRPGGTRLVBDURH-HNNXBMFYSA-N 413.478 1.657 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540917405 VTWBAZCOPYAFHO-GJZGRUSLSA-N 415.585 1.171 30 10 HDEE CC(=O)N1CCN(CCn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1 1541006106 BEYCAEOWZUPHOD-QGZVFWFLSA-N 410.526 1.166 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1541296034 XTNOPUPOVQBUQL-MOPGFXCFSA-N 404.446 1.855 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)c2ccco2)n1 1542633152 CVXNPDPJVDOBQE-HNNXBMFYSA-N 407.434 1.400 30 10 HDEE Cc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1542765969 CJDJMSICQUCIRF-OAHLLOKOSA-N 402.524 1.985 30 10 HDEE CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C(C)(C)C1=O 1545471338 BKWJVHCZWSVZPW-FAGJFJLWSA-N 404.511 1.852 30 10 HDEE CN(C)C(=O)C1(Cn2c(Cc3cccnc3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1552656594 HHZHXUDAEYZAKZ-GOSISDBHSA-N 423.521 1.641 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NCc2ccnc(C#N)c2)ccc1Br 1556464376 RGEDEWCXTLUSBW-UHFFFAOYSA-N 423.292 1.896 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1557091548 PJGKGKCARBQKKX-KBRIMQKVSA-N 407.492 1.500 30 10 HDEE C#CCN(CC(=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1557731985 ORULITBLLINBJZ-HSZRJFAPSA-N 415.534 1.952 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCCC[C@@H]2CS(N)(=O)=O)cc1Br 1557804776 GIBQTNWFMRXOEA-GFCCVEGCSA-N 416.297 1.369 30 10 HDEE C[C@@]12CN(C(=O)c3cccc(CNc4ncccc4C#N)c3)C[C@@]1(C)C(=O)NC2=O 1557897271 PZRRXDVCIZIWNP-VXKWHMMOSA-N 403.442 1.690 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558543636 WMLBWAMTWJHHMI-SUMWQHHRSA-N 402.882 1.986 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3cccc(CC#N)c3)CCO2)cc1 1561781020 GPQIWUXUALNJEH-IBGZPJMESA-N 420.512 1.918 30 10 HDEE CN(CC(=O)NCc1cc(F)c(C#N)c(F)c1)C1=NS(=O)(=O)c2ccccc21 1567952029 SRLZDUQAVKHIFC-UHFFFAOYSA-N 404.398 1.534 30 10 HDEE C#CC[C@@H](NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1570221279 JRNBBSINWCKFTA-CQSZACIVSA-N 416.293 1.684 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(CCOC)CCCC1 1587561997 JSEOYSLKDVOZQP-CVEARBPZSA-N 411.572 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1CC1(O)CCN(C(C)C)CC1 1587562248 MZASLKRHHSXYFG-ZWKOTPCHSA-N 407.559 1.695 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1587626552 MAMBYKJZNIHGNJ-DOTOQJQBSA-N 415.519 1.302 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1587846987 AFSUPVNXOONSOA-UHFFFAOYSA-N 419.489 1.274 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1587989013 FDUMVKZIMSLLLG-OAHLLOKOSA-N 407.540 1.089 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC[C@H]1COCCO1 1588113109 HLHRZOQLSBUZPN-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1588265555 CZKLYSGBCNEOJP-STQMWFEESA-N 401.483 1.783 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1588266147 MFFLWPONNPUMHZ-INIZCTEOSA-N 405.524 1.735 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1595143054 YZHOVPMCBMLRKZ-CYBMUJFWSA-N 411.553 1.667 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1595930160 CGDZUOATTGAJNB-DLBZAZTESA-N 422.526 1.860 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 1611130075 ZXHRIUHQXOGQNK-QVKFZJNVSA-N 414.462 1.792 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1611792630 CVPWBJWFRRNEKX-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2sccc2CC#N)c1 1616330713 KMJJGQLNSSWXSP-LLVKDONJSA-N 406.489 1.479 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1618436825 GVLFNQYNRFELER-RDTXWAMCSA-N 406.464 1.758 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618514673 KTXSNEXPHMTBKL-UHFFFAOYSA-N 409.494 1.853 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc(N)c(C)c1 1622564579 HISJXLPLPYCOMS-UHFFFAOYSA-N 408.524 1.996 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 1624810397 CKNHGFFVEZSHFE-SZMVWBNQSA-N 418.490 1.902 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(C)n(-c4ccn(C)n4)c3C)CC2)c1C#N 1625300409 TZMJMJREDRSXKF-UHFFFAOYSA-N 406.494 1.704 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1626373759 MDUNLHBEXDJZEY-IAGOWNOFSA-N 407.511 1.343 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(N3CCOCC3)CC2)C1 1626677003 JUJFAFDVSLOIMU-UHFFFAOYSA-N 419.323 1.738 30 10 HDEE COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1628506919 BBVBVUWLOKNPNI-DOMZBBRYSA-N 422.279 1.139 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)CN(C(=O)OC(C)(C)C)C1 1628741842 PALKQJCJBKMFPF-ZUOKHONESA-N 406.483 1.294 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1630970089 IXBDAHMATAIGNM-FQEVSTJZSA-N 417.487 1.467 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1630986795 FVFBVIWTFOGYHU-ZIAGYGMSSA-N 424.910 1.105 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(C(N)=O)nc3)C2)C1 1631495662 VSYSLJKWXOOMRC-DBWCEAHUSA-N 413.478 1.584 30 10 HDEE C=CC[C@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C(=O)OCC 1632656730 WEDMSOJEVKSQFR-KRWDZBQOSA-N 418.490 1.993 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C#Cc3cccs3)CC2)cc1 1632823646 CNIWWRVFEJJBFO-UHFFFAOYSA-N 417.556 1.531 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417843 JORTZZMQDAZPPR-QZTJIDSGSA-N 410.561 1.631 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C3(CC(C(=O)OC)C3)C2)CC1 1634558980 DWSOOEIHZBVTBI-OTQYULQBSA-N 418.534 1.701 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1635701323 OGFZYJWYAGGKIN-HNNXBMFYSA-N 418.500 1.107 30 10 HDEE N#Cc1csc(CNC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)n1 1636259436 OABPTSGUAICZSW-UHFFFAOYSA-N 401.267 1.355 30 10 HDEE N#Cc1cn(CCNC(=O)NC[C@@H]2CCCCN2Cc2ccccc2)c(=O)nc1O 1637779275 BFQQHRQMSLVMOT-SFHVURJKSA-N 410.478 1.174 30 10 HDEE Cc1c(C(=O)N2CCN(c3[nH]c(=O)n(C)c(=O)c3C#N)CC2)sc2ccccc12 1639519299 BJXHWUBFDXVPLF-UHFFFAOYSA-N 409.471 1.431 30 10 HDEE CN1CC(=O)N(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1639782906 QFJZRPHCYSXPSB-RNFRBKRXSA-N 423.260 1.510 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cccnc2)C(C)(C)CO)cc1 1640097185 RKUJUYBXJAWLTA-GOSISDBHSA-N 401.488 1.483 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3(CCO)CCOCC3)C2)C1 1640139262 LEWIBHRROGZUHW-LFDOHDQPSA-N 407.511 1.821 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1641583281 STIBXNFCFUWKKX-CYBMUJFWSA-N 401.448 1.238 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(F)c(S(=O)(=O)NCC=C)c1 1644597287 VUEJVFXNSBECHZ-UHFFFAOYSA-N 410.467 1.707 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(c3nnnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1644875668 VJJKPPJZSGHBRW-FQEVSTJZSA-N 402.499 1.709 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Nc2ccccn2)CC1 1644888674 HKNRLVDEMFDWDU-UHFFFAOYSA-N 413.503 1.613 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CSC1 1645212615 URXGZNSEIQIQSQ-OAHLLOKOSA-N 420.512 1.201 30 10 HDEE C=CCCO[C@@H](C)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1646088051 VDYCWMKELUQVJT-ZNMIVQPWSA-N 402.513 1.213 30 10 HDEE Cc1c(C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cnn1CCC#N 1647852519 DSMRDALDMLFQEE-UHFFFAOYSA-N 409.494 1.752 30 10 HDEE O=C1C=COC2(CCN(C(=O)CC[S@@](=O)c3ccc4c(c3)OCCO4)CC2)C1 1648004699 BQVZVHFFPGUEBM-MUUNZHRXSA-N 405.472 1.820 30 10 HDEE CC[C@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028435 BATLHWPUVUFTDL-SWLSCSKDSA-N 419.482 1.533 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@](C)(CO)Cc3ccccc3F)CC2)o1 1648466426 HOXDJORXNIZBMS-NRFANRHFSA-N 415.469 1.226 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C(=O)OC 1648791264 MJPUTPNNAGYTSQ-ZDUSSCGKSA-N 419.297 1.595 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C[C@H](c2ccccc2)C(F)(F)F)CC1 1650846309 QYQPDTQNUBPZJB-OAHLLOKOSA-N 403.426 1.334 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCCOc1ccc(OC)cc1 1653725097 BXCMTOGXSPNOQY-OAHLLOKOSA-N 403.522 1.469 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C[C@H](O)c1cccc(C#N)c1 1654148607 FTMVWYKSSVYQJV-UXHICEINSA-N 423.542 1.994 30 10 HDEE C#CCn1ccc(CN(CCOC)C[C@H](O)C2CCN(C(=O)OC(C)(C)C)CC2)n1 1654342743 WUBDEBXBOWRPJP-FQEVSTJZSA-N 420.554 1.973 30 10 HDEE COC(=O)[C@H]1C[C@@H](OC)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1654752380 FKILMMRIIOEPOQ-SMDDNHRTSA-N 417.281 1.662 30 10 HDEE CCOC(=O)c1c(NC(=O)Cn2ccc(C#N)cc2=O)sc(C(=O)N(C)C)c1C 1656734883 BFTLMTVQCBYIHX-UHFFFAOYSA-N 416.459 1.607 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)CCC1 1657103655 MRMNWSMLBVEJRU-UHFFFAOYSA-N 410.439 1.752 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)c1 1659627931 XWWITGCBNWLTPG-UHFFFAOYSA-N 403.391 1.501 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1660648438 YDORTGNZHPANPO-DZGCQCFKSA-N 406.430 1.084 30 10 HDEE C#CCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1664329816 DAJVTAMXBKMTEI-RYUDHWBXSA-N 412.430 1.193 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc(C(=O)N(C)C)ccc2OC)n1 1668983846 PSNKUZWEXCQAGK-UHFFFAOYSA-N 404.492 1.438 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1671458966 JABPIXYBZMIBDH-INIZCTEOSA-N 413.565 1.093 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3COC4(CCC4)C3)CC2)cc1 1683674245 KSEYOPJXHUDYSX-INIZCTEOSA-N 404.492 1.286 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1C#N 1685180638 OQQIBVBKPQIOEG-UHFFFAOYSA-N 401.536 1.730 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689846265 IELMJHWXPAMKRT-WMZOPIPTSA-N 412.542 1.079 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1689846993 PVLPRMSNCYDTIQ-OAHLLOKOSA-N 404.540 1.859 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](F)COC 1689851393 PXCGPRFCMSDQTK-RDJZCZTQSA-N 401.490 1.895 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689998607 QSMIGGWKQIQEKN-DLBZAZTESA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1690015839 YYUYGSKFKCYACZ-CRAIPNDOSA-N 419.485 1.682 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1690072698 QDFFSBBKIBJHQQ-UHFFFAOYSA-N 412.523 1.664 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@@]1(O)CCN(C)C1 1690104596 AHPUABOSQKRKDM-JOCHJYFZSA-N 413.522 1.030 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H](C)CN1CCOCC1 1690192530 BCUUJIGDRUAVOA-WOIUINJBSA-N 419.570 1.963 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1690516950 VCWKLNWDSMESKA-OAQYLSRUSA-N 401.511 1.996 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1CC1CCS(=O)(=O)CC1 1690624116 GZJLQCWOKIVKOC-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690740201 MOCNLZPYJHAXGF-AWEZNQCLSA-N 423.568 1.124 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1696634145 XLXKMIWANYRLRE-MAUKXSAKSA-N 410.544 1.194 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1697983213 MORYLUTTYCZMDJ-INIZCTEOSA-N 411.466 1.278 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1705520025 GBQUTMWNHSUURE-JOCHJYFZSA-N 414.554 1.505 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1705532497 OLKJFLDHMNRIPP-IAGOWNOFSA-N 419.526 1.925 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705553503 QWOZXOUBCICWHH-PMACEKPBSA-N 422.533 1.304 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1705560797 NOAYWYVTHGTPDH-INIZCTEOSA-N 424.567 1.134 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Cl)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1705563950 IIFSTIXHSPOWGR-CQSZACIVSA-N 420.922 1.750 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1705612147 AKVRTMYGVHXGEX-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OC)nc2)CC1 1705648657 VRRPIOFXAQLQRG-GOSISDBHSA-N 424.505 1.200 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCCS(C)(=O)=O 1705667492 MVTYDAOFISDFGJ-LJQANCHMSA-N 409.556 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1CC1(OCCOC)CCOCC1 1705674746 PSGHFYIRPYQUHF-GHTZIAJQSA-N 418.538 1.986 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705695484 XLYSVTPHGRFJTG-HZUJVAHNSA-N 416.526 1.256 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705729156 NCGCRCQQNGJZBM-QGZVFWFLSA-N 406.531 1.314 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)C1CC1 1705849335 JUBDGXRYPGAMGW-OLPIVMHESA-N 423.583 1.984 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCC[C@@H](C)C1 1705934631 RMCFSMKOZGREDX-PMPSAXMXSA-N 409.556 1.845 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1706584097 LWZDEYADVKIDGO-KRWDZBQOSA-N 423.521 1.839 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1709755155 ASYGFXMQHKBISI-KRWDZBQOSA-N 418.523 1.657 30 10 HDEE CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1710820710 KITIVJCZGAYSPE-UHFFFAOYSA-N 411.466 1.086 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OCC2CC2)C1 1722323869 IDDVNVYIIRALRD-RDJZCZTQSA-N 409.556 1.697 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CCC1 1722373929 OILGUGXKCAFGLZ-WTYVLRPYSA-N 404.536 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCCCC1=O 1722387092 GBDFFPCIGWYCCF-UHFFFAOYSA-N 424.549 1.770 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722458034 BWOURYHPHUXPNO-JKSUJKDBSA-N 412.519 1.648 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@]2(CCOC2)C1 1722604063 SZSXSTGPSFRKAM-QFBILLFUSA-N 410.540 1.532 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1722643838 CTPSDTVESCRDTE-GOSISDBHSA-N 415.586 1.695 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C(C)C 1722680864 BVFIKYKVJYOZLN-CRAIPNDOSA-N 400.545 1.226 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)OC(C)(C)C1 1722725509 MSEUUPUCWZUWKO-OAHLLOKOSA-N 407.540 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722726783 FJULMXQXQYDSSO-HZPDHXFCSA-N 420.539 1.142 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1723770641 BVGHIXQIGDHYSH-NVXWUHKLSA-N 409.494 1.674 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)s1 1726326365 FTMSZLWQSHSGAK-FQEVSTJZSA-N 422.518 1.921 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1729722800 AMDFUAKSARAXCO-PKOBYXMFSA-N 424.505 1.870 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCOCCCO)CCN1C1CC1 1731190537 QXDSPZFHHCAOCV-MSOLQXFVSA-N 404.515 1.095 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1740547692 ACMSABJRWXUHMK-WMLDXEAASA-N 416.503 1.826 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1740628312 XCWKDZCHRSTKIZ-RCCFBDPRSA-N 422.551 1.225 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC[C@H](C2CCC2)C1 1740716095 LOKCENMFAMDGDQ-IAGOWNOFSA-N 403.552 1.849 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)C1 1740761767 AFXKODMTQPJNNJ-DNVCBOLYSA-N 416.551 1.893 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740850673 JDCUVJWPQUFQNO-RDJZCZTQSA-N 423.583 1.840 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740864094 JNBNNYHOZZXMEP-MOPGFXCFSA-N 416.570 1.881 30 10 HDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCc2nn(C)c(=O)cc2C1 1740867448 KDZSXSWMPCUZOW-UHFFFAOYSA-N 413.526 1.819 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740955282 OSRUCNLFLGPMOH-QZTJIDSGSA-N 424.505 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cs2)CC1 1740960252 OASVFGFGHNKTNG-OAHLLOKOSA-N 417.539 1.176 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1741098889 HDJMDAKYCLMSJZ-UHFFFAOYSA-N 419.493 1.461 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1741284983 OEWSZWWSGRJNFW-IBGZPJMESA-N 405.478 1.118 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC(C)CC1 1742835054 BOJVLUZLJMMSTP-QGZVFWFLSA-N 409.542 1.695 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1748802373 OPDUVLWCTUQCDG-NTLWEQJWSA-N 404.511 1.800 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC1CCCCC1 1748874754 DODOGMBZEKQFQB-PXNSSMCTSA-N 413.522 1.524 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(N2CCOCC2)nc1 1748901872 CDDMJFLKOUJOGK-UHFFFAOYSA-N 408.506 1.557 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCCn1cc(CO)nn1 1748935616 ZFKCVYFWZHGLEO-UHFFFAOYSA-N 418.505 1.915 30 10 HDEE COc1ccccc1-c1nnc(N2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1749007689 IGXIUINYXIMQJO-CZIZESTLSA-N 424.461 1.317 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(C)C)CC1 1749037034 AMONOQFROSUCNO-KRWDZBQOSA-N 405.568 1.843 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)CCCS(C)(=O)=O 1749199157 GFUMJFPCXUZCOO-UHFFFAOYSA-N 411.553 1.717 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C)C(=O)[C@@H]1C 1749368353 GWHYVIHJGASMRQ-LSDHHAIUSA-N 409.556 1.449 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1749426783 HMBVMJCWIKRLPX-HLIPFELVSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1749731468 DYESJFQBZKGTFS-KRWDZBQOSA-N 423.583 1.889 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2cnn(C)c2)CC1 1749740139 QUFXBEWZAQJVGH-UHFFFAOYSA-N 422.555 1.533 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCN1CCOC[C@H]1C 1749828428 BJVCACCJCMCRLM-QGZVFWFLSA-N 401.515 1.371 30 10 HDEE C[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1751148379 CCRRBXYEVRARLC-SCLBCKFNSA-N 405.503 1.662 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C/C=C\c1ccccc1 1751230979 FOFCLRAXIKHMEX-NUZZVJGCSA-N 416.507 1.330 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1760227880 OVDXZVNTGZVVDI-SIKLNZKXSA-N 419.570 1.747 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCSCC(C)C)CC1 1760260272 OCANYSOAHWWBKT-QGZVFWFLSA-N 404.584 1.764 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)CCOC)CC1 1760263845 RCJNNRYEMSYXLT-OALUTQOASA-N 419.570 1.820 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760272264 DTSVLICHKZWGQJ-CQSZACIVSA-N 419.511 1.052 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1snnc1C 1760289547 QDGACSMNPLDYHQ-BLLLJJGKSA-N 409.541 1.089 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760427985 MTEJUYJUTXGLIR-KRWDZBQOSA-N 411.572 1.904 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CC(OCC)C2)C1 1760542809 OIAKBYKPDBPEDU-NSSZEPTDSA-N 406.527 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@@H](C)[C@H]1C 1760553485 DMQGCYUCUCWUQH-KGLIPLIRSA-N 408.553 1.666 30 10 HDEE CCN1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1765511302 TWVJAPRWCWNOJJ-DVEDPGPFSA-N 415.542 1.632 30 10 HDEE CN(C)c1cccnc1Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1 1766914016 HTORGAPIHTUHGO-QGZVFWFLSA-N 404.478 1.502 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1772564706 UGFAAADWYFPZME-OAHLLOKOSA-N 413.544 1.192 30 10 HDEE C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C(O)O 1775963552 PWOHIJYGJUBWOL-FBFQMJTBSA-N 408.466 1.214 30 10 HDEE CC(C)N(CC#CCNC(=O)[C@H](C)N1C(=O)c2ccccc2S1(=O)=O)C(C)C 1850284120 UUPCTDAAIHQFJT-INIZCTEOSA-N 405.520 1.458 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1850777761 GHLIDKOMNQAMRD-CYBMUJFWSA-N 418.346 1.828 30 10 HDEE C=CCN1C[C@@H](C(=O)NCc2noc(C3CN(C(=O)OC(C)(C)C)C3)n2)CC1=O 1850791754 AXMPXRXBIPYETB-LBPRGKRZSA-N 405.455 1.055 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(c2cc(-n3ccnc3C)ncn2)CC1 1852892224 VGZXDGXPIGBRAZ-UHFFFAOYSA-N 402.458 1.945 30 10 HDEE C=CCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)CC1=O 1853301772 FDZPDVXNKXQYJD-CQSZACIVSA-N 400.460 1.855 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccnc(Cl)c2)C1=O 1854097768 DRDYNOJBUYCVHG-CVEARBPZSA-N 404.898 1.975 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@H]1C 1854259158 WEMBKUDKGRAMMD-GDBMZVCRSA-N 409.483 1.224 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cccc4c3OCCO4)C(=O)C2)C1 1854949983 MTGFVAPXTBKXCL-IRXDYDNUSA-N 412.490 1.509 30 10 HDEE COc1ccc2ccccc2c1CCC(=O)O[C@@H]1CON(S(=O)(=O)CC#N)C1 1855024848 CCLNQQISJCKBNF-HNNXBMFYSA-N 404.444 1.793 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)CCc2ccccc2Br)CO1 1855056928 GKFIYHLPSNALMM-LBPRGKRZSA-N 403.254 1.394 30 10 HDEE CCc1ocnc1C(=O)N1C[C@H](CN2CCN(c3ncccc3C#N)CC2)CC1=O 1855855152 ZIJDFHATAORWRH-HNNXBMFYSA-N 408.462 1.315 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@@H]2CCCO2)CC1 1855857582 NMPUZMGICBQLKE-KRWDZBQOSA-N 403.460 1.206 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)C3CC(F)(F)C3)C2)CC1 1855910279 BVKHEOVQWXCVGI-AWEZNQCLSA-N 403.433 1.496 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(Br)cc2)CCN1S(=O)(=O)CC#N 1856107467 BSXYMPDDLZCJEL-UHFFFAOYSA-N 414.281 1.365 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1 1856218407 NKVPHQYKKFDVGK-KRWDZBQOSA-N 405.476 1.911 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H](C)n2nc(-c3ccccc3)ccc2=O)C(=O)C1 1856387674 KIEWUIMQQDMGSN-IAGOWNOFSA-N 407.474 1.834 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)C1(C)C 1856402172 GZOLVFMEBJCNEN-HNNXBMFYSA-N 415.490 1.692 30 10 HDEE CS(=O)(=O)[C@H]1CCN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1856452779 UVKSPBOMUQTCIX-OALUTQOASA-N 417.531 1.375 30 10 HDEE C[C@H]1CN(CCn2ccnn2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856488258 DOCBPBNGWMEHTR-HNNXBMFYSA-N 401.430 1.874 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3c(ccn3C)c2)C1)[C@@H]1CCN(C)C1=O 1857263730 ISAHWWDWNUXVAU-OXQOHEQNSA-N 408.502 1.886 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(C)n(C(C)C)n2)C1)[C@H]1CCN(C)C1=O 1857284382 NTGFQDQROFBMIE-AEFFLSMTSA-N 401.511 1.480 30 10 HDEE COc1ccc(OCC(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)c(OC)n1 1857339469 OYYDEORFUCHUBQ-OAHLLOKOSA-N 402.451 1.231 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)[C@H]2CC=CCC2)C1)C1CN(c2nccnc2C#N)C1 1857417719 FJXWLVQEMHFFOR-SJORKVTESA-N 408.506 1.590 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nnc(C4CC4)s3)[C@H](C)C2=O)CC1=O 1857440894 TXJSLVSGDBBTBA-OCCSQVGLSA-N 403.508 1.009 30 10 HDEE C#CCOC(=O)Nc1ncccc1OCC(=O)Nc1nnc([C@@H]2CCCO2)s1 1858702170 NEITXWUEKZSLEI-LBPRGKRZSA-N 403.420 1.984 30 10 HDEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCN(C)CC1 1870558157 WPNCBAYCAQVACA-UHFFFAOYSA-N 401.463 1.740 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccnc2)CC1=O 1874274926 XAUZFUCJIXONJR-FCQRQVBFSA-N 401.496 1.247 30 10 HDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NC[C@H](C)O)ncnc21 1875230422 YSCVAMXNZCCYAQ-AWEZNQCLSA-N 401.467 1.389 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)NCC#CCN3CCCCC3)cc2)CC1 1889634977 WKNRSBNQJQXPRF-UHFFFAOYSA-N 410.518 1.210 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(C[C@H]3NC(=O)N(CC)C3=O)CC2)cs1 1890292435 KXCZTMHZSUUZPO-CYBMUJFWSA-N 419.507 1.242 30 10 HDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCC1 2174783352 BFXAGMWNFXMHTC-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE C#CCN(C(=O)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180138553 YVULSIOANSSUHA-SJKOYZFVSA-N 408.467 1.574 30 10 HDEE CC(C)(C)OC(=O)N=S1(=O)CC2(CN(S(=O)(=O)c3cccnc3C#N)C2)C1 2182734936 BBXHKJKFJFVSIO-UHFFFAOYSA-N 412.493 1.361 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1Cl 2187583117 JLMXAZHZIOHVCK-STQMWFEESA-N 415.899 1.860 30 10 HDEE CC1(C[S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2192674749 VBSLCASFAUNOBY-NRRJATNASA-N 420.557 1.431 30 10 HDEE C[C@H](NC(=O)Oc1c(N)cc(C#N)cc1I)S(C)(=O)=O 2203122894 KGGBGVYCLOFDLZ-ZCFIWIBFSA-N 409.205 1.224 30 10 HDEE N#C[C@@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2229474642 NYVDAZOISHAZLI-MGPUTAFESA-N 417.487 1.397 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)CC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243714656 NBEJAIPWRNWJOS-CABCVRRESA-N 408.304 1.498 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247922402 HILPAVFDYRPUHS-UHFFFAOYSA-N 418.303 1.373 30 10 HDEE Cn1cc(C(=O)NCc2ccn(Cc3ccccc3)n2)nc1B1OC(C)(C)C(C)(C)O1 2255819772 GOHNNYOLPGVAAR-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2267103456 JASRROHQDVLOFU-UHFFFAOYSA-N 407.750 1.865 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)O4)cc2Cl)OC1(C)C 2267358840 IINMCZLUNSBTBT-AOOOYVTPSA-N 405.734 1.863 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269014965 BSAYUANBMZOGEK-QMMMGPOBSA-N 409.722 1.700 30 10 HDEE C[C@H]1CC[C@@H](S(C)(=O)=O)CN1Cc1nscc1B1OC(C)(C)C(C)(C)O1 2279346101 ZIWFXJGNKIERFF-QWHCGFSZSA-N 400.375 1.840 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3C[C@H](CO)CO3)c2Cl)OC1(C)C 2281939206 VZPWSYVKXRNPQG-GHMZBOCLSA-N 401.721 1.828 30 10 HDEE CO[C@@H]1C[C@H](O)CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281948305 UEQLWRVMKPMFSY-WDEREUQCSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)C[C@@]3(C)CO)sc2Cl)OC1(C)C 2281971413 HVCUTCRWSPWXKA-QGHHPUGFSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCOC[C@@H]3N)cc2Cl)OC1(C)C 2282307089 XBPOCERVKMUUTC-WDEREUQCSA-N 422.765 1.095 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@](F)(CN)C1 2282323325 ZAFVVAVGJIBUAZ-AITUWYQGSA-N 404.338 1.463 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2282336452 DKJRFJUBBFYBFE-GZMMTYOYSA-N 415.264 1.637 30 10 HDEE C[C@H]1CC[C@H](CN)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342435 HNMJPTNXFSVVFR-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE C[C@H]1CC[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)S1 2282350408 MONAUMYHVXAHRN-NWDGAFQWSA-N 401.363 1.282 30 10 HDEE C[C@H](CCN)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494721 BKCTZHMQBCQHEY-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@@](C)(O)C2)OC1(C)C 2282502361 JZTFRVQAIKXDFK-MRXNPFEDSA-N 402.347 1.119 30 10 HDEE COC[C@@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282508385 VTIJAJLXMUFOGS-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE Cc1nc(C(=O)NCC(C)(C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282520874 VKPMJMHLQALAOL-UHFFFAOYSA-N 402.347 1.304 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](C2OCCO2)C1 2282575526 DMDOAEWVMYRWTB-CQSZACIVSA-N 403.284 1.829 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2282663913 WEBWTAQMWGONBE-NSHDSACASA-N 401.359 1.909 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)NC 2282829802 KLUGDNWWTXNYEG-SNVBAGLBSA-N 422.765 1.504 30 10 HDEE COC[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282833967 NIRANZROGUWOTD-LBPRGKRZSA-N 402.347 1.287 30 10 HDEE C[C@H]1CC[C@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850948 VHFNITNROWQBBT-STQMWFEESA-N 401.359 1.829 30 10 HDEE COCC[C@@](C)(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854361 QNIIPQUUOVLIJF-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE CO[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CSC 2282868966 VQBNNTFRISXRDB-AWEZNQCLSA-N 401.359 1.642 30 10 HDEE C[C@H]1CNCC[C@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878018 ZYNGCEOIFHZCGV-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)OC1(C)C 2284403029 QLJLDWUGRNWHAB-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE N#Cc1cc(Br)cn(Cc2ncc(I)cn2)c1=O 2327885450 CNGHZBMWYDSCQR-UHFFFAOYSA-N 417.004 1.925 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2335427666 JDOKKMYYEGTEDJ-LBPRGKRZSA-N 405.542 1.172 30 10 HDEE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2(O)C1(C#N)CS(=O)(=O)C1 2341128158 NGORGXKMPHTOSL-JPZVUWATSA-N 402.538 1.322 30 10 HDEE CO[C@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CCC1=NO 2364274965 YGLKROCUPKEHQO-ZETCQYMHSA-N 410.066 1.636 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365200666 ADWRRVXMCYMLQF-HZPDHXFCSA-N 402.557 1.802 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C 2365205845 VZBHBTYLVYQHGU-HZPDHXFCSA-N 401.573 1.342 30 10 HDEE C[C@@H]1C[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365245083 XPCZXBNYWCQMFH-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2367825621 QVXQHGFEUZEEJL-CVEARBPZSA-N 400.541 1.163 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H](C)CNC(=O)OC(C)(C)C 2367826432 YKEBYKCKHMULTB-OAGGEKHMSA-N 402.557 1.457 30 10 HDEE Cc1nc2ccc(I)cn2c1/C=N/N[C@@H]1CCS(=O)(=O)C1 5981447 DJXONDHGXBXIKZ-OGEWLBHXSA-N 418.260 1.358 30 10 HDEE C[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(Cl)cc1 16893299 VFPKNGPCMMZLLY-JTQLQIEISA-N 409.855 1.326 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)c1ccc2c(c1)OCO2 20914479 ZXDBNSDVABXWKB-DNTJNYDQSA-N 412.431 1.847 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)N3C(=O)COc4ccc(N)nc43)cc21 96495447 XZRALZSPCTZGEL-LBPRGKRZSA-N 408.414 1.572 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 306122451 UXZCDTDGPVVXFM-XCROICCJSA-N 420.502 1.323 30 10 HDEE COc1cc(OC)cc(-n2nnnc2CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)c1 434182737 XTMPOBHRYDEEIR-CQSZACIVSA-N 422.445 1.977 30 10 HDEE COc1cc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)ccc1C#N 460577655 VUWRNNDVJMVRHD-GOSISDBHSA-N 417.425 1.960 30 10 HDEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 460776864 DNIUTSDFXAFAMR-SFHVURJKSA-N 409.538 1.967 30 10 HDEE CN(CCc1ccccn1)C(=O)CNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462101400 JKGVQZKIPMMDGG-UHFFFAOYSA-N 404.434 1.357 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)c1 465489162 GEFVXCACQOUJSW-CQSZACIVSA-N 415.475 1.343 30 10 HDEE CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@]2(CCOC2)O1 478354047 KFPRIGURKASRIZ-QFBILLFUSA-N 407.492 1.289 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 481452704 TVQCRYWGUZQVQW-WMLDXEAASA-N 415.519 1.676 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CCN1Cc1ccccc1 501516291 SEKLBONVEGUQAH-HXUWFJFHSA-N 424.526 1.551 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@H](C)C1 508800402 FRGWHZPSUXOKRJ-MRXNPFEDSA-N 419.551 1.692 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCC(=O)NC)CC1 508811541 HPZTYZRXMNYHRL-UHFFFAOYSA-N 413.482 1.233 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1 511092530 AQKNFIHYJHRHRT-LJQANCHMSA-N 422.551 1.688 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccc2F)c1=O 523090226 NCYCIWZRWBCELH-UHFFFAOYSA-N 400.475 1.958 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCCC[C@@H]1CN1CCOCC1 533312206 BTZJWWNUFJPXJX-HXUWFJFHSA-N 408.506 1.869 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 541271754 DEMWXQMEFGCNCW-UHFFFAOYSA-N 404.448 1.927 30 10 HDEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)CC2)n1 544874882 JBZLXIYCFXDNOV-QGZVFWFLSA-N 405.414 1.106 30 10 HDEE CN(C)S(=O)(=O)c1ccc(OCCN2CCN(c3cccc(C#N)n3)CC2)cc1 545504725 DSDDEGHXRQNMKK-UHFFFAOYSA-N 415.519 1.405 30 10 HDEE CCN(CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1OC 546267943 QVXWEDYSGUYCBJ-CQSZACIVSA-N 413.482 1.430 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 549326193 KEHZBWDKJYLKJN-HZPDHXFCSA-N 423.583 1.887 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cnccc3CO)CC2)cc1 553995847 YWXPBTXQXGOYMU-UHFFFAOYSA-N 400.460 1.485 30 10 HDEE CC(C)CN(C(=O)CN1CCC(C#N)(c2ccccn2)CC1)[C@@H]1CCS(=O)(=O)C1 558627837 ACCVBHZUHIOPOD-GOSISDBHSA-N 418.563 1.610 30 10 HDEE CNC(=O)COc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 559467030 DXKLNUKIWJVFQR-UHFFFAOYSA-N 408.462 1.110 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H](CO)c2cccnc2)cc1 562879170 CRCUMJFRYJMBIP-INIZCTEOSA-N 404.492 1.786 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)C[C@H](C)C#N 567793263 IILPFEULBUFATR-MRXNPFEDSA-N 422.551 1.643 30 10 HDEE N#C[C@@H](NC(=O)CCc1nc(-c2nc[nH]n2)no1)c1ccc(Br)cc1 570750345 SJLHQWHXMPSVQI-LLVKDONJSA-N 402.212 1.931 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1F 574676501 KBHYXQSWSFBMSV-SFHVURJKSA-N 406.433 1.166 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 604496606 CMZCKICBVXJKPV-UHFFFAOYSA-N 421.504 1.403 30 10 HDEE N#CCCN(C(=O)Cn1c(O)nc2ccccc2c1=O)c1ccc2c(c1)OCCO2 609154324 RCRHVOBXMKWEPS-UHFFFAOYSA-N 406.398 1.820 30 10 HDEE CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 612802339 BULDTMVCVRYBNN-ZDUSSCGKSA-N 419.532 1.723 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)c1 726581379 RVSUJCOFLYVGLD-UHFFFAOYSA-N 414.490 1.486 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)c(C)c2)c1=O 729671072 CRSWMEOVQQQVBE-UHFFFAOYSA-N 400.475 1.876 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732664562 QXDSBHYHCQKTOQ-SJLPKXTDSA-N 422.576 1.285 30 10 HDEE CN1CCN([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2cccs2)CC1 732699900 DLQCMITUNVLFTH-ROUUACIJSA-N 402.568 1.418 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1Cl 743735882 HPMCZHIRLFDJQL-MRXNPFEDSA-N 422.938 1.981 30 10 HDEE COc1ccc(CNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)cc1C#N 746714888 NHLNMQTZRCKIHF-QGZVFWFLSA-N 411.384 1.940 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 749517929 AVSNWRACMKADLQ-QFBILLFUSA-N 403.479 1.342 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)c(F)c2)c(=O)n1C[C@H]1CCCO1 754762656 FIVPBWGURUMEBU-CYBMUJFWSA-N 421.400 1.856 30 10 HDEE CC(C)(C)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)n(-c2ccccn2)n1 755241308 KCFCARGRNURRBS-MRXNPFEDSA-N 421.505 1.702 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(N3CCCC3)nc2)c(=O)n1C[C@@H]1CCCO1 758553666 KSNZXEYTDRURBQ-KRWDZBQOSA-N 407.499 1.111 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ncccc2Cl)C1)c1cc[nH]n1 772358453 QXUSJMORYWZDKM-LBPRGKRZSA-N 420.857 1.137 30 10 HDEE C#CCN(C(=O)Nc1nnc(Cc2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 774037071 QJGQMBGEZIPNHB-AWEZNQCLSA-N 408.480 1.922 30 10 HDEE C#CCN(C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774044904 SZMLIADIAUSXOK-IBGZPJMESA-N 403.504 1.852 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)CCN/C(O)=C1\N=CC=CC1=O 781294233 VVQYHCQNJWCLAK-IAFNSTAXSA-N 406.483 1.809 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(C)(=O)=O)ccc2Cl)n1 790109207 QJAQKBVIDVLHGU-UHFFFAOYSA-N 409.895 1.862 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H]1C(=O)Nc1ccc(OC)cc1 800007169 GYSCYPFSKZVRTL-KRWDZBQOSA-N 410.496 1.205 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 800787857 PELFZSRTRIUKTO-XHSDSOJGSA-N 405.499 1.855 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(C#N)nc3)CC2)[C@H]1c1ccc(F)cc1 801290978 GWJILLCXGDJXPD-PZJWPPBQSA-N 407.449 1.961 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1)[C@H]1CCCO1 806746898 WJNUAMPZBLGLQO-JCGIZDLHSA-N 417.462 1.297 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1 814402167 DMVCFROINVACKS-HRCADAONSA-N 400.545 1.902 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 916475971 GVPVZQUYKZYEQK-OAHLLOKOSA-N 424.482 1.619 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)cnn1CCC#N 1124731659 PRYXKKIRUJTRBY-UHFFFAOYSA-N 421.910 1.905 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1 1135645709 KEADMKVGBQACFR-BBRMVZONSA-N 409.508 1.818 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1138834966 CQCVNSWYJGPZIO-CQSZACIVSA-N 401.529 1.327 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2nnc(-c3ccccc3OC)o2)n1 1139834153 XRGHYUHWRCJYNQ-UHFFFAOYSA-N 409.446 1.793 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)/C=C\C(=O)c2ccc(C)cc2)CC1 1144574086 OZAVFYHQOVDWBT-HJCTWCACSA-N 401.507 1.419 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1146247090 HSDHTDLQWHXENN-AWEZNQCLSA-N 419.503 1.307 30 10 HDEE CC(C)[C@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)CCN1 1148130442 MOAYGVGCRDPKIN-QGZVFWFLSA-N 406.552 1.742 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNS(=O)(=O)c1ccc(NC(C)=O)cc1 1153763831 HFWGNOZJDBWOMW-UHFFFAOYSA-N 405.398 1.338 30 10 HDEE COc1ccc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1O 1154076427 ZEVJSOAIEFFURS-UHFFFAOYSA-N 403.460 1.565 30 10 HDEE C=CCN(C(=O)c1nc(C)n(-c2nc[nH]n2)n1)[C@H](Cc1ccccc1)C(=O)OCC 1154301743 RGUQWPIXHXQECL-MRXNPFEDSA-N 409.450 1.496 30 10 HDEE Cc1ccc(C(=O)NCc2ncc(C(F)(F)F)cn2)cc1S(=O)(=O)NCC#N 1158693163 OZHLZHSXHGBUDA-UHFFFAOYSA-N 413.381 1.536 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)c1cc[nH]n1 1164395122 WFXPIPGILUZPHJ-OAQYLSRUSA-N 413.478 1.474 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CC1 1171765802 WEKJVCHYYGBDAV-GOSISDBHSA-N 404.555 1.676 30 10 HDEE C=CCN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@H](C)COC 1171917471 XIRFILDYXZTMIB-MRXNPFEDSA-N 413.478 1.978 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C(N)=O)c3ccccc3n2)cc1 1184049841 BORPHURPXNWADW-UHFFFAOYSA-N 408.439 1.498 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 1208271254 GULNXKRBXRKEPD-UHFFFAOYSA-N 410.542 1.861 30 10 HDEE N#C[C@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)C1 1221490410 CICXIOXMEBDFKK-IAGOWNOFSA-N 406.508 1.589 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCCO1 1252391951 DVSJDDKCJSIRFI-MOPGFXCFSA-N 420.535 1.922 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(CCc1ccccn1)Cc1ccncc1 1256478297 HXGGFZMCNPBPPS-QZQOTICOSA-N 420.473 1.757 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1286334014 GFYFTUSFONFITG-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC2(CCN(C)C2=O)CC1 1286335357 ASRBWISPKMEWQQ-UHFFFAOYSA-N 412.538 1.653 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1286348814 AEUNJRRZRNYKPD-QZTJIDSGSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCO[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1286384280 HEMRPMXMTXQEAF-SQNIBIBYSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCN(C)Cc1ccccc1 1286432481 MFQQGIZBZNDAKN-UHFFFAOYSA-N 418.545 1.995 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1286493457 BJDWZAHCBXYHII-HNNXBMFYSA-N 405.524 1.270 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286610178 ZEVUNDIXXZNHOS-LJQANCHMSA-N 414.510 1.198 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286671817 ZYNRUWBBLLQKTQ-MRXNPFEDSA-N 417.558 1.042 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286700740 MATLUYHMOSDZSZ-QGZVFWFLSA-N 416.526 1.271 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H]1c1nncn1C 1286790127 NXSKIZUKRPBEIH-MRXNPFEDSA-N 407.482 1.036 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)C1 1288977166 KHULQNLCQHOIND-JTDSTZFVSA-N 423.539 1.116 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CCCNS(C)(=O)=O)C1 1288977656 QTNXQBFGPCVXHX-CRAIPNDOSA-N 410.544 1.241 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1291306111 RWZOSGSPWUXPGN-IIBYNOLFSA-N 413.478 1.759 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(C3CCN(C)CC3)C2)c1 1293211168 MMGDNCPLKUYCDK-GOSISDBHSA-N 403.548 1.382 30 10 HDEE CCN(CC(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1295285228 LWBJYUYFPAKGAJ-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE Cc1ccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1298378518 JVBCTVDELMMTSO-INIZCTEOSA-N 422.356 1.400 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1299075352 SEPJXSRFIVVYRV-SFHVURJKSA-N 409.494 1.305 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300268628 UJDSVWKLBGRBNQ-YESZJQIVSA-N 404.559 1.762 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1300303533 JLUWMPGIEIOGGN-PBHICJAKSA-N 415.519 1.280 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)C[C@@H](C)C1 1300506567 VAUOFJZEYXNIKT-WOJBJXKFSA-N 410.566 1.955 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CCC1 1300675073 JVHPAXPWGRRGPI-UHFFFAOYSA-N 403.508 1.271 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCC[C@@H]2OC)CC1 1300681880 DPNOPGNBFWAIRU-MJGOQNOKSA-N 416.570 1.767 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1300727006 UBQKJGPDRIGNDC-QZTJIDSGSA-N 416.570 1.306 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cnnn1 1301362566 FZOLSNRREKEDBJ-HNNXBMFYSA-N 413.511 1.560 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1301498549 QJIFLQSNGRFZKE-HNNXBMFYSA-N 402.543 1.835 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301609571 LHGQMNSAIWTLBW-HZPDHXFCSA-N 401.540 1.325 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4C[C@H]3CO4)n2CC(=O)NCC(F)(F)F)c1 1302987453 OEVOTBBNQWRQTN-GJZGRUSLSA-N 420.395 1.863 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)c(C#N)cn1CCOC 1310523778 AEAMAKNFOPEEON-BFHYXJOUSA-N 419.482 1.654 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)n1 1353333018 XBTSTTYCBZYKRS-HNNXBMFYSA-N 418.906 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1358969840 YEMGZDXMCYKRIZ-KRWDZBQOSA-N 421.567 1.558 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1358983375 FTZWCIVUIIKASN-NQIIRXRSSA-N 415.563 1.410 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2Cc2cnnn2C)n1 1359027817 WZMYVELVTXZOQD-UHFFFAOYSA-N 411.514 1.235 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC=CCO2)CC1 1359040413 UCYDLSCQPNLRJA-FHWLQOOXSA-N 401.511 1.102 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccn(CC)c2=O)CC1 1359159388 VFNPEORXQAVNDZ-OAHLLOKOSA-N 420.539 1.275 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1COCCO1 1359260450 FIBBIEDTEUJQAX-SJLPKXTDSA-N 415.469 1.976 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@H](C)[C@@H](OC)C1 1359296904 YIRNXXMVGKUKTE-KSSFIOAISA-N 413.478 1.837 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CCC(F)F 1359327004 PCAYUJQYZXIIEX-UHFFFAOYSA-N 405.471 1.206 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@]2(O)CCO[C@H]2C)C1 1359327299 YCMOOPAXTVKKIW-CURYNPBISA-N 422.526 1.323 30 10 HDEE C=CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359336866 DJHJECUQGKRYKL-UHFFFAOYSA-N 422.599 1.302 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1360672429 RDRIUCBOHIFQQX-UONOGXRCSA-N 406.512 1.884 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1cccc(C(=O)N2CCC[C@@H](O)C2)c1 1447208768 SCBZHYBHZGMOFI-ZBBYCGENSA-N 412.446 1.139 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3CCN(CC(F)F)C3)C2=O)cc1 1451658061 VJQPEYDSJSZKQH-ZFWWWQNUSA-N 405.405 1.219 30 10 HDEE CN1CC2(CN(C(=O)c3cn(CCC#N)nc3-c3ccc([N+](=O)[O-])cc3)C2)OC1=O 1451684222 DQKJHRXLGNXNCU-UHFFFAOYSA-N 410.390 1.649 30 10 HDEE COC(=O)c1ccc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c(OCC(F)F)c1 1453661138 RSKCBRFTVIAHMU-ZCXUNETKSA-N 423.372 1.972 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC1(OCCO)CCC(C(F)F)CC1 1456517691 XMCZGCHGRLFGPH-VLGSPTGOSA-N 415.437 1.222 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN3CCOC[C@@]3(CO)C2)c1 1460851883 WLOTXTZFXVWZNY-KNQAVFIVSA-N 400.523 1.318 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1463164827 VLDAVLFBAHUPAW-MGPUTAFESA-N 419.503 1.973 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)C(=O)OC 1464259213 ZKFRBMWISRQACO-INIZCTEOSA-N 422.503 1.736 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)Nc2cccc(CC#N)c2)CC1 1466577315 HIYYMMDEFRKOQB-UHFFFAOYSA-N 401.467 1.953 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)C(=O)NCc2cccs2)c1 1469414567 QVGJTRUJLJZPAN-KRWDZBQOSA-N 419.528 1.484 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1470091069 NNPZOOFRGMIMQQ-CABCVRRESA-N 401.916 1.960 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@H](CO)Cc1ccc(F)c(Br)c1 1470352673 JYWFHCHBGSWHHC-OAHLLOKOSA-N 414.319 1.994 30 10 HDEE N#Cc1cn(CC(=O)NCCc2ccccc2OCc2ccccc2)c(=O)nc1O 1470926770 HUXYZYBDUIASBY-UHFFFAOYSA-N 404.426 1.758 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)Nc2cc(F)cc(C#N)c2)s1 1471131672 DFFXLBINZBMYST-UHFFFAOYSA-N 410.452 1.312 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C[C@H]2CCCO2)C(=O)OCC)cc1 1471781418 VMXVOQZLQIZRRW-NVXWUHKLSA-N 410.492 1.382 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)C1 1471832940 LWHMZDWSJXABHF-QGZVFWFLSA-N 401.488 1.586 30 10 HDEE CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCCC1 1501586084 ATCKRJFWTWQYTB-ZZEZOPTASA-N 424.509 1.974 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2snnc2C)C[C@H]1OC 1505114047 HISIXSVTHVYJKJ-IYBDPMFKSA-N 411.491 1.875 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1505320428 JNUADRNIJWXYTR-QGZVFWFLSA-N 402.499 1.161 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)CC1 1505323483 FMGJBIZVTXODKR-MOPGFXCFSA-N 402.543 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N(C)C)CCOCC1 1507515943 AAMAOWSCZDORTL-LAUBAEHRSA-N 405.543 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(CS(C)(=O)=O)CC1 1507543388 VXDUMJVPBHDIDB-HNNXBMFYSA-N 404.540 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCOC[C@@H]2CCCO2)CC1 1507738267 KTIHFRPZKUVUOB-IBGZPJMESA-N 415.538 1.707 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1507804591 GYLSFEFBINYQPL-SCTDSRPQSA-N 423.583 1.730 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1507962618 UZEUFORUZKPULN-KRWDZBQOSA-N 422.555 1.675 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1508086305 MZIRACOQURXGLQ-QGZVFWFLSA-N 417.558 1.361 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)C1 1508127300 URITWLQBEAYMOE-IAGOWNOFSA-N 420.539 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnc(C)s1 1508140235 LFQRXXZBFOQQBH-UHFFFAOYSA-N 421.552 1.681 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(C(=O)C2CCCCC2)CC1 1508146249 WAAMZAVTOIXEQJ-UHFFFAOYSA-N 423.583 1.670 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)C1 1508205742 BRXJCUJMGSKBKB-DYESRHJHSA-N 415.542 1.805 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1515940689 ZQTLQIOXAZHNSJ-MSOLQXFVSA-N 416.574 1.385 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517668547 DARFJXNJPXMCDK-OHTQGHCMSA-N 414.466 1.071 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CNC(=O)C[C@H]3C(F)(F)F)CC2)c1C#N 1524094544 DKWSIDBDDDJNIJ-NWDGAFQWSA-N 401.414 1.286 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c(OC)c1OC 1524715678 FVPIWGOVNBXUBC-UHFFFAOYSA-N 424.457 1.506 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)OCC)CC1 1539428563 SZDLUILQVSXCBE-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O 1539644238 GDEVJBUTNPBWFX-OAGGEKHMSA-N 413.544 1.096 30 10 HDEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1540093923 DIOMGFOCYWZCDL-AWEZNQCLSA-N 409.556 1.786 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540870859 YPNYIODGOAUKDG-QGZVFWFLSA-N 412.494 1.210 30 10 HDEE Cc1nc(CC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)n[nH]1 1542161964 YONWXDZUSLACJD-HAVVHWLPSA-N 404.496 1.887 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CCSCCCO 1543329186 QQXGIBGFDMAVPP-UHFFFAOYSA-N 400.552 1.896 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1554508587 ZTAYBPADKIXSMK-UHFFFAOYSA-N 424.477 1.436 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1556794978 QVLHCWHWNSZXMK-QGZVFWFLSA-N 414.483 1.561 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1556797242 RYWSZLWDUUPLQZ-LJQANCHMSA-N 420.531 1.972 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1 1558595659 WHHDAYVAKWYIAW-IBGZPJMESA-N 411.483 1.676 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1564067475 JSXLPYWOMRJHNI-FQEVSTJZSA-N 400.523 1.294 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(CS(C)(=O)=O)CC1 1587556365 NTDLPEWIIFZFEZ-AWEZNQCLSA-N 416.507 1.208 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1588053373 DMSBJYNQUXBPDM-DLBZAZTESA-N 422.551 1.104 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1588228350 DPAPHJVVRPTDDV-GOSISDBHSA-N 412.515 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ncnn1-c1ccccc1 1588228993 OOUWUIVKXIBJDJ-GOSISDBHSA-N 401.474 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@@H]1OC 1588258722 IAKJIINPTHJTFQ-FYQPLNBISA-N 416.522 1.517 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)NCc2ccco2)CC1 1588800770 OFVRNCPAGWQDRR-UHFFFAOYSA-N 405.462 1.005 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCO[C@H]2C)CC1 1588849115 ZNPMGLXECRIABD-HTAPYJJXSA-N 413.497 1.303 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1Cc1ncn(C)n1 1595094092 NARJOAIMQKAAEB-UHFFFAOYSA-N 414.477 1.920 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCS(C)(=O)=O 1595100097 MUJPXWGQWMLMLB-GOSISDBHSA-N 415.519 1.891 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2cc[nH]n2)C1 1595730017 SAAHRTXJLJBPSP-HNNXBMFYSA-N 401.515 1.801 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1595811900 GFRVMMCXYZHOBM-HZPDHXFCSA-N 405.524 1.478 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1610269810 GHLHGRDCAMOEIU-UHFFFAOYSA-N 424.477 1.990 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOC1=O 1614028881 SCXYOSQUSYWAMF-UHFFFAOYSA-N 410.482 1.276 30 10 HDEE CCOCc1nnc(N2CCOC(C)(C)[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1616955022 DOIKTTLUEAJZTO-DNZUHHBVSA-N 418.498 1.345 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCn1cc(Cl)cn1 1620025836 SRQKATLFMVJGEE-HIFRSBDPSA-N 409.878 1.281 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H]2CCCC[C@H]21 1620056600 DQUDKMFIXCZPIZ-ZGXWSNOMSA-N 404.555 1.732 30 10 HDEE COC(=O)[C@@]1(N2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)CCOC1 1620434909 JHHTXPTVRBOFAS-IVFBNWJGSA-N 420.554 1.255 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCn3ncnc32)c1 1624893055 RTTGERRBHXXKJG-OAZPQLMHSA-N 402.480 1.607 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1627189753 NIWLAVOOBRUVSK-RMKNXTFCSA-N 410.449 1.658 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1)C(=O)OC 1629617089 GNBHHNSPFMBZKW-INIZCTEOSA-N 411.439 1.542 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cn(-c3ccccc3Br)nn2)CC1 1630034367 OMWZAVBEDFWMOI-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE CC(C)(C)OC(=O)N(CCCNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1630843290 JYCHZBROSNCLAW-ISLYRVAYSA-N 406.483 1.809 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(=O)OCC)c1 1634288304 PJGGKDCKTPVNJF-RDJZCZTQSA-N 410.492 1.382 30 10 HDEE C=CCOC[C@H](NC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1)C(=O)OC 1635159189 UWTDVYZUUCOVSA-AWEZNQCLSA-N 410.471 1.826 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1635342146 CACNSXPPGFKVAR-LBPRGKRZSA-N 417.325 1.947 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)nc1 1636197766 AFQABCJGDSDCPP-SFHVURJKSA-N 408.437 1.729 30 10 HDEE CC#CCN(C)C(=O)CCC(=O)N(CC(C)C)c1c(O)nc(=O)n(CCCC)c1N 1636785792 HJNVEGCTFVWPQP-UHFFFAOYSA-N 419.526 1.582 30 10 HDEE C#CCCOc1ccc(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1638887405 LDNSPQDQACIPSW-IBGZPJMESA-N 407.536 1.773 30 10 HDEE Cc1c([N+](=O)[O-])cnc(N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1Br 1643223397 ONNZSARPRVYRNQ-ZANVPECISA-N 401.242 1.435 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOc3ccccc3[C@H]2C(=O)OC)c1 1648519927 IPQRHFSNMGXHIA-FQEVSTJZSA-N 407.426 1.925 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(O)(CN3CCCCC3)CC2)cc1 1653598398 NAXAKJCTGHPBPQ-UHFFFAOYSA-N 419.547 1.312 30 10 HDEE C[C@H](CCC#N)CN1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1657400667 DMKYWXRXXJPEPI-OAHLLOKOSA-N 400.545 1.493 30 10 HDEE CC1(C)CS(=O)(=O)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1658377753 CXBNRTIVKWDSRU-GOSISDBHSA-N 422.526 1.044 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 1659907160 WRHJBSAFKTWLRD-UHFFFAOYSA-N 424.570 1.835 30 10 HDEE CN(C)C1(CS(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1664911799 HGEOTFPXPCVWAD-UHFFFAOYSA-N 414.535 1.494 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3cccc(CC#N)c3)CC2)C[C@H](C)O1 1671459666 HVZIKZYBODVYBD-HOTGVXAUSA-N 421.523 1.256 30 10 HDEE CC1(C)[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C[C@H]1OCc1ccccc1 1680385753 QDEANLPAHLDTDJ-UGNRZPKXSA-N 417.531 1.950 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1 1681520077 HRDAOBGLJSGRSD-UHFFFAOYSA-N 416.478 1.433 30 10 HDEE CO[C@H](CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)[C@H]1CCOC1 1683932529 ZXPYUDYUJBNTHM-HNAYVOBHSA-N 412.494 1.609 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3ccnc(-n4cncn4)c3)CC2)cc1 1684645199 HPCUBXJWJDXWNZ-UHFFFAOYSA-N 416.489 1.951 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCN(CC)C1 1689848622 YPBHHMRPRJEPPD-IRXDYDNUSA-N 419.533 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC[C@H]1C 1690009717 HNJIYGYDEFSVSP-QGZVFWFLSA-N 407.474 1.467 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1690077042 HMUYIJOCFUEGNS-OAHLLOKOSA-N 420.514 1.182 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1690080432 UELMENPVUCMFFU-UHFFFAOYSA-N 401.536 1.672 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@@H]1C 1690105171 VYYRSNVVXCDEJI-KUHUBIRLSA-N 405.524 1.260 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690299078 DGJZJTKAOHJUGC-CQSZACIVSA-N 417.432 1.874 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1690481687 MMGRWDFYYOGVEJ-GOSISDBHSA-N 402.543 1.744 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690525578 KWNWVPNSPGGWHE-MSOLQXFVSA-N 404.559 1.737 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1690609278 JJSNYZJUJGTKSQ-LJQANCHMSA-N 418.523 1.432 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)C1 1692851823 GTIKWKJFDCGPFL-JXFKEZNVSA-N 402.499 1.161 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(S(C)(=O)=O)cc1 1693490791 UNICNQGFUNLPIU-UHFFFAOYSA-N 424.486 1.573 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1698486965 XIUCZRFDAVCFMN-RHSMWYFYSA-N 409.512 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2ncccc2c1 1705477366 NAINEZWOYCCCMZ-GJZGRUSLSA-N 412.519 1.943 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1 1705533793 ZXLWPFUQEYISPQ-IAGOWNOFSA-N 410.540 1.083 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1705612217 CAGCYLWGPFOCRU-HNNXBMFYSA-N 404.492 1.402 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1705726954 STCAAFUQBMRSLN-UHFFFAOYSA-N 424.596 1.976 30 10 HDEE C=C(Cl)Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1705760496 LAOPQSSCZPYFAC-LBTNJELSSA-N 414.890 1.043 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CC[C@H](CO)O1 1705837228 VARDIRBMORYIJY-JKSUJKDBSA-N 406.508 1.511 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)C1 1705926502 FLJNZEOBQWAXDV-NZQKXSOJSA-N 411.550 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705938493 AERCTZJFPSTYJC-LVYZTWJOSA-N 410.540 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1722296685 UEGWBRDZDKTOCT-TZMCWYRMSA-N 416.532 1.691 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCNC(=O)C(C)C)CC1 1722445902 DVHJPFNAYNAGFT-UHFFFAOYSA-N 411.510 1.011 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1722466557 ZNAFGNDTBFINJF-LJQANCHMSA-N 420.539 1.675 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722481887 MJHVATJMECTJBW-INIZCTEOSA-N 406.288 1.304 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C(=O)NC 1722592651 XJNMLZGVGWTELC-CABCVRRESA-N 411.572 1.601 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722642431 CDRIUZJSLPPJHD-HNNXBMFYSA-N 423.514 1.900 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1722671805 CFZJPKKXQUMOHP-KRWDZBQOSA-N 421.567 1.761 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1723773274 PWPGHCSIYKQICQ-ZIAGYGMSSA-N 402.455 1.550 30 10 HDEE COc1cc(C)ccc1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1729960124 HNMQNQFCZAKXHM-QGZVFWFLSA-N 410.478 1.608 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1740550725 RCXOEGKDSKYROC-DFQSSKMNSA-N 422.533 1.761 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740636505 SKKISWUXKGCWMU-NRFANRHFSA-N 412.515 1.130 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC23CCC(CC2)C3)CC1 1740690705 LNYJCHQVNVYJIR-VXESANQCSA-N 420.583 1.224 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCC[C@@H](C)C2)CC1 1740695581 XUNTZVNITCVKJL-AUSIDOKSSA-N 424.597 1.944 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSCC)CC1 1740695807 DRQQBMNVCQWRRY-INIZCTEOSA-N 411.597 1.079 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCS(=O)(=O)CC)CC1 1740706191 QSLZKLVBGAAOAM-UHFFFAOYSA-N 421.567 1.336 30 10 HDEE C=C(C)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740785504 JYVBDCNGOBOUMR-GDBMZVCRSA-N 404.442 1.933 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1740899552 NNIFHFVZJXDICB-MRXNPFEDSA-N 403.508 1.809 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1740959610 AXOOIVBKKIZMSH-FQEVSTJZSA-N 424.549 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](OCC)C1 1740992198 CLNBRYWTRIPUAC-GOSISDBHSA-N 419.551 1.870 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCN2CCCS2(=O)=O)n1 1742308579 BYJFOZMCDRXMIG-HNNXBMFYSA-N 403.512 1.422 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCC(F)(F)F)CCOC1 1746646294 FIJYMHBUOMYRPS-LRDDRELGSA-N 418.420 1.347 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1748800254 UTLQJWFONSTNJV-UHFFFAOYSA-N 416.507 1.126 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1748897279 ZXRZGJGRMPBZEF-MRXNPFEDSA-N 417.560 1.531 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(C(C)(C)C)no1 1748925224 FFCGHKNVMCVHBW-CQSZACIVSA-N 405.524 1.974 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nncn2CC)CC1 1748998894 DFIHOXUBHJYURL-UHFFFAOYSA-N 420.521 1.580 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1749668872 FVSWMTLBTQPONO-CQSZACIVSA-N 403.487 1.438 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)C1 1749709960 UUZPONQHJBGXRX-HZPDHXFCSA-N 415.498 1.107 30 10 HDEE CC(=O)NCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(C#N)cc1 1750029910 VFQGTHHOFNSIFL-UHFFFAOYSA-N 409.494 1.548 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1\N=CC=CC1=O 1750443628 GCTRPJZORHGSPJ-QLXQBBHQSA-N 400.483 1.470 30 10 HDEE CC(C)COCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1750862488 IEXQEKYISBIPEJ-INIZCTEOSA-N 413.482 1.717 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1752406273 VNHYLRSXTQRZNF-YJBOKZPZSA-N 414.535 1.534 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCC)c1 1760119914 FVPCKXVHZFDKHG-INIZCTEOSA-N 408.506 1.656 30 10 HDEE C#CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1760159756 OTHRHCHAIWLSJC-LJQANCHMSA-N 410.540 1.357 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCCS1(=O)=O 1760194178 CRMSZVVGGBFGJJ-SJORKVTESA-N 408.524 1.042 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCN2CCOCC2(C)C)CC1 1760259142 GXAKGEHSPNJBFN-UHFFFAOYSA-N 400.571 1.802 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N(C)CC(=O)N1CCOCC1 1760322495 TYNLPXZSVAAKGL-XLIONFOSSA-N 405.543 1.753 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1 1766917091 BMBAEQVJSXKLQH-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1)OC 1769237673 GVOKWGOHONMFHN-MNEFBYGVSA-N 415.494 1.718 30 10 HDEE COC1(C)CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769740668 BWPRBHDLGZITGL-FBMGVBCBSA-N 400.483 1.687 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770751780 NAUCVXQJVIIOTE-RBUKOAKNSA-N 412.494 1.578 30 10 HDEE COCCOCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771276452 APAOBUSLSWFETL-GOSISDBHSA-N 416.551 1.770 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1772564385 SPNDZGKCICEBNM-BRWVUGGUSA-N 411.572 1.302 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCC(F)(F)C(F)F 1772564389 SZVOXCOTULKREP-NSHDSACASA-N 414.425 1.719 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)ON1C(=O)c2ccccc2C1=O 1772787826 DGKSXWZDTYCODR-UHFFFAOYSA-N 402.428 1.390 30 10 HDEE CC1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1772845587 CAFXVKFNEBRLIC-FQEVSTJZSA-N 415.519 1.745 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CON=C(N)c2ccc(Br)cc2)C1 1848454842 RRKXIOQEINREJL-CYBMUJFWSA-N 412.284 1.888 30 10 HDEE C=CCN1C[C@H](C(=O)NCc2nnc3c(-c4nc(C(C)C)no4)cccn23)CC1=O 1850959004 FNHPPDNHZMCZCF-CYBMUJFWSA-N 409.450 1.553 30 10 HDEE N#Cc1ccc(NC(=O)NCCN2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 1851868459 BVCUEOUPIHWYEO-UHFFFAOYSA-N 417.473 1.785 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2nncn2C2CCCC2)CC1 1852056090 LZVAFBHZJYCAFO-UHFFFAOYSA-N 424.505 1.997 30 10 HDEE N#CC1CCN(CCNC(=O)[C@H]2CC(=O)N(CCc3c[nH]c4ccccc34)C2)CC1 1852177657 ZCLGCIULXVVGER-IBGZPJMESA-N 407.518 1.911 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1 1852494804 DJZHFLCEGIDQJQ-KGLIPLIRSA-N 418.929 1.564 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@@H]1CCC(=O)N(CCCC)[C@@H]1c1ccccc1 1853085224 LANHNQHTFHUOHW-UYAOXDASSA-N 404.532 1.931 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccccn2)CC1 1853538475 KTPBUBCXMVYSHG-UHFFFAOYSA-N 407.540 1.035 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2ccc3c(c2)OCO3)C1=O)[C@@H]1CCN(C)C1=O 1853829772 ZGIMSHCJDYINCT-DLBZAZTESA-N 413.474 1.194 30 10 HDEE CCOc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1854239767 WVEJGLNFHBUIOU-MRXNPFEDSA-N 419.503 1.775 30 10 HDEE Cc1ccccc1OCC(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854421474 QOVCMJFKSGCYNB-UHFFFAOYSA-N 419.503 1.601 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854643012 CZQVCPYLNKDWFR-AWEZNQCLSA-N 415.446 1.688 30 10 HDEE CCCCS(=O)(=O)N1CC[C@H](N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)C1 1855017469 MZQBLDVILKNTTE-SFHVURJKSA-N 418.519 1.047 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)c4cccc(=O)o4)C3=O)CC2)cc1 1855449428 ZKBYFMVYUQFXIL-GOSISDBHSA-N 407.426 1.796 30 10 HDEE C[C@H]1CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855950731 WOZQLBWXQFTMBR-LPHOPBHVSA-N 417.531 1.517 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H](C(=O)N(C)C)c3ccccc3)CC2=O)cc1C#N 1856032891 RUCNWLJIFNHYBG-OAQYLSRUSA-N 404.470 1.981 30 10 HDEE C[C@H](CC(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O)n1cccn1 1856410942 TYAXOTROSZSOGC-CVEARBPZSA-N 408.462 1.239 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1cc(Cl)c(OC)c(Cl)c1OC 1861364460 UVILKCXGWCRKNO-BXKDBHETSA-N 403.262 1.888 30 10 HDEE C=CCN1C(=O)C(NCc2ccc(S(N)(=O)=O)cc2)=C(c2cccs2)C1=O 1863808738 TXYOITMTSDFJRL-UHFFFAOYSA-N 403.485 1.451 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1cccc(OC)c1OC 1874471874 BIGHSVSMKNTJLQ-CIAFOILYSA-N 421.523 1.985 30 10 HDEE C=C(Br)CS(=O)(=O)NCC1(O)CCN(C(=O)OC(C)(C)C)CC1 1918780089 WXQLSANUNJCRTK-UHFFFAOYSA-N 413.334 1.576 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174779325 HWJUBYRIYDEEOG-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE C#CCN(C(=O)[C@H](F)CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180112071 CGJCEKBHUDWOLS-HUUCEWRRSA-N 402.488 1.230 30 10 HDEE C[C@@H](C#N)C1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2236699506 KCQBWTPSZWGDDK-ZFWWWQNUSA-N 401.529 1.713 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)(C(=O)O)C1 2247662771 XUWYENDNGIUYKM-UHFFFAOYSA-N 420.271 1.834 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827601 IJRTZLNAGOIEMY-STQMWFEESA-N 420.319 1.885 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN1Cc1ccccc1 2247911305 VBJYZGXXUNFIHM-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCSCC2)OC1(C)C 2267474543 WTNVYPMWQRZEQK-UHFFFAOYSA-N 404.388 1.711 30 10 HDEE COC[C@@]1(O)CCN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281947047 RSRLVFNJODAERR-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NC[C@H]2CCCCS2(=O)=O)OC1(C)C 2282004870 MFYJXQQEHNFQBZ-LLVKDONJSA-N 400.331 1.139 30 10 HDEE C[C@H]1CNC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308852 WYJHTNHRKPGFHG-WDEREUQCSA-N 420.793 1.835 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[S@](=O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282315623 QFWRHNRAJIRSKI-VWLOTQADSA-N 419.399 1.499 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNC[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282328338 WATYCCVYYXDYNF-YPMHNXCESA-N 400.375 1.632 30 10 HDEE CN(C)C(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343454 DUMLCZZWVYNJFI-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCSC1 2282502303 JGGYWZYHIPMYSO-NEPJUHHUSA-N 401.363 1.139 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633165 USGOQPGRYVTSLN-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2COCCO2)sc1B1OC(C)(C)C(C)(C)O1 2282842081 SEORSRQSBDVCHW-GFCCVEGCSA-N 403.331 1.049 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC(C(N)=O)C3)cc2Cl)OC1(C)C 2282843167 JEVSZTDFDCEKBK-UHFFFAOYSA-N 420.749 1.243 30 10 HDEE C[C@H]1C[C@H](CN)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850923 VEHRDKMMJWCHBV-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CN)C(F)(F)F)OC1(C)C 2282869927 KGRPEWFDFWAFAW-JTQLQIEISA-N 414.280 1.356 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H](C(=O)O)C3)s2)OC1(C)C 2284406871 DNTBZQDKXORLJZ-MNOVXSKESA-N 401.315 1.579 30 10 HDEE CN(C1(C(=O)O)CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284409123 FNPLSVXJBVIKOW-UHFFFAOYSA-N 401.315 1.426 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](NCCC#CBr)(C(=O)O)C[C@@H]21 2324760841 KKTYLWYRDCVVJZ-AHIWAGSCSA-N 417.300 1.944 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2339668024 PSXBHHIWFJGUFJ-GHTZIAJQSA-N 422.547 1.565 30 10 HDEE CCCN[C@H](C#CC1(OC)CCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2362704662 KQCCQHGSXVTVJF-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(OC)CCC1)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2362710987 OLEPPQDAGDEGJE-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 2365211320 NJSHOKUGSBLYBM-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@@H]1CNC(=O)OC(C)(C)C 2367807452 TUIWMARCZXHXRQ-CLCXKQKWSA-N 400.541 1.211 30 10 HDEE CCOc1c(Cl)cc(/C=N/NC(=S)NCCN2CCOCC2)cc1OC 45296003 BLCJELTYMHIBII-UDWIEESQSA-N 400.932 1.878 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 54156138 UJBDBPVGUWBXGC-ZCFIWIBFSA-N 415.107 1.872 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)cc1C 392744398 MNSROVFRJDSLOT-LLVKDONJSA-N 406.869 1.368 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cn(C)nn1 460554054 IXTXUVCLKNDVMO-UHFFFAOYSA-N 419.493 1.923 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 465183872 LZGIETPWQOWXTJ-NVXWUHKLSA-N 405.462 1.374 30 10 HDEE COc1ccccc1N1CC[C@@H](NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)C1 472059040 SQIWYWIDOLEUOP-QGZVFWFLSA-N 423.521 1.719 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)s1 477036496 NJQYFZBKWUXORT-UHFFFAOYSA-N 412.492 1.911 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nccn1CC(F)(F)F 481538021 NEWPSZVTYYSHFS-NSHDSACASA-N 415.397 1.300 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482185058 XHZQNSIPQKOVGD-WMLDXEAASA-N 406.508 1.084 30 10 HDEE Cc1ccc(C(=O)N2CCC(CN3CCCC3)CC2)cc1S(=O)(=O)NCC#N 498523172 PXVMRXAWJVEUFH-UHFFFAOYSA-N 404.536 1.745 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C(=O)NCC(=O)OCC)CC1 505588432 XFRBFIAGPACFHD-UHFFFAOYSA-N 415.490 1.662 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@H](C)Oc2ccccc2C#N)C1 523610113 ZNAXHOFNYAZSIN-NVXWUHKLSA-N 401.463 1.586 30 10 HDEE C=C(C)Cn1c([C@H](C)CC)nnc1N1CCN(S(=O)(=O)N2CCOCC2)CC1 563733262 NPEGCUJXAJZFPG-MRXNPFEDSA-N 412.560 1.067 30 10 HDEE C=CCN1CCC(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 568543106 JPMQKQPGODUVGJ-UHFFFAOYSA-N 420.579 1.917 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NC2CCN(CC#N)CC2)cc1 609332848 YMBNTCMFIZNZMF-IBGZPJMESA-N 406.552 1.792 30 10 HDEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NC2CCN(CC#N)CC2)CC1 619208403 RDDRUGKUPTVPME-UHFFFAOYSA-N 416.501 1.994 30 10 HDEE COc1ccc(C#CCN)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703978402 OHIYDGGVGLJVMS-UHFFFAOYSA-N 413.455 1.043 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCCCCN1C(=O)c2ccccc2C1=O 741340771 HEEAFAOPHSUNIC-HNENSFHCSA-N 411.414 1.523 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 757898188 NFNMHCZQBNMXTE-CQSZACIVSA-N 408.480 1.180 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cnc(C)s2)c1=O 758088940 HOTONAUEIUCJBJ-UHFFFAOYSA-N 421.503 1.703 30 10 HDEE N#Cc1ccc(NCCNC(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)nc1 780702262 QVXMQKCSXGXVDI-NRFANRHFSA-N 409.446 1.567 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1 787055697 BJQYAOBNTBJOPM-DGCLKSJQSA-N 412.324 1.331 30 10 HDEE CCCn1c(=C(C#N)C(=O)[C@H]2CCCOC2)sc(=Cc2cnn3ccccc23)c1=O 794579850 DSRGWYZGOAEXFI-HNNXBMFYSA-N 422.510 1.466 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(CN1C(=O)N[C@@](C)(c3cccc(C#N)c3)C1=O)C[C@@H](C)O2 797417472 NEMMOXLCBYZUTL-ZPGKAZOCSA-N 412.490 1.941 30 10 HDEE Cc1ccc(CS(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)c(Br)c1 798860863 FOKXUXHKIWNMEE-SNVBAGLBSA-N 412.269 1.428 30 10 HDEE C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)n1cnc(C#N)n1 801700496 ZFAWLVBHWGYSIR-ZETCQYMHSA-N 412.147 1.862 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C 804454131 MBEFAQFVDBBCMD-OAHLLOKOSA-N 401.444 1.915 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)[C@H](C)OC(=O)c2cc(C#N)cc(N(C)C)c2)C1 814572121 BBDGRQKLAHVVEH-HOCLYGCPSA-N 401.463 1.971 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)cn1 837842207 DXBSAEVLHHNMGT-KRWDZBQOSA-N 420.494 1.208 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858066000 VUGRBLLJBGNCIF-CQSZACIVSA-N 400.460 1.108 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3cccc(C#N)c3)n2N)cn1 1084291487 JLHAEFAOHFBSOP-UHFFFAOYSA-N 424.494 1.818 30 10 HDEE COC(=O)[C@H](OC(=O)Cc1ccccc1NS(C)(=O)=O)c1ccc(C#N)cc1 1118944542 JUNGBONVSYHXIL-GOSISDBHSA-N 402.428 1.930 30 10 HDEE CC(C)C[C@@]1(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CCNC1=O 1125136600 JEPQVDQYRSVEEE-UZXYXVAJSA-N 420.535 1.990 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1137118638 FXMQFHRIKJTZJY-DMTCDCDWSA-N 418.494 1.425 30 10 HDEE COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1137848811 SIQCMGPDAXSFQE-HNAYVOBHSA-N 407.492 1.649 30 10 HDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)NCC#CCO)C[C@H](C)O1 1139145750 OOSVDFFRYQJTJW-GJZGRUSLSA-N 400.504 1.447 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C2=O)cc1 1139811908 YKVVLHZGXXSHAO-QWHCGFSZSA-N 404.681 1.897 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1142655574 KCSALOWREGHLPP-WFASDCNBSA-N 422.425 1.961 30 10 HDEE C#CCN(C(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C1CCN(C)CC1 1156647147 QFRWCRRAPVNVSO-OAQYLSRUSA-N 409.502 1.518 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@]23COC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1C#N 1160493879 RIYWUVJJKCAUSK-ZUOKHONESA-N 418.498 1.255 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N(C)[C@@H](C)c1cccc(C#N)c1 1162686457 HINHMWWEVJYIIO-KGLIPLIRSA-N 403.508 1.795 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CC(=O)Nc2cc(OC)cc(OC)c2)c1 1167811220 JBJCJJACLPYCAD-UHFFFAOYSA-N 424.457 1.904 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1176294351 MBDAPMAFUDUNRB-UHFFFAOYSA-N 408.451 1.058 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(OCCO)CCCCC1 1179862896 DHFMJMJZTMPHGN-HNNXBMFYSA-N 409.508 1.053 30 10 HDEE C=CCn1cc(CNS(=O)(=O)Cc2c(Br)cccc2OC)nn1 1191583158 QYIVGXRCYMOGCM-UHFFFAOYSA-N 401.286 1.855 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C[C@@H](C#N)CCC#N)C3)[C@@H]2C1 1197219927 DOPVQWQDBASMFS-TWMKSMIVSA-N 403.483 1.944 30 10 HDEE C#CCOc1ccccc1NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 1216743855 NMJYVCGRQIELIK-QGZVFWFLSA-N 408.524 1.775 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1224765016 YTFJXOYFYPKJAT-MRXNPFEDSA-N 401.916 1.445 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl 1235546226 QAWKZATTZOQFRM-ZDUSSCGKSA-N 405.879 1.485 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1254482778 VJPUGGKGTADNQK-FQEVSTJZSA-N 419.485 1.099 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1255365405 XJTDQOUBPIYHQP-FQEVSTJZSA-N 417.517 1.878 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1277136597 ITWDVOQPWQYALC-INIZCTEOSA-N 406.504 1.592 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2Cc3cccc(C#N)c3C2)C1=O 1277893389 FOQCTJMIOKZRQF-QFIPXVFZSA-N 404.426 1.876 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(NC(N)=O)cc1 1286279546 WBBDABZWLNQXJJ-LSDHHAIUSA-N 400.483 1.999 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1286290324 RNVNCMYPMOMSSA-HZPDHXFCSA-N 422.489 1.548 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(OC)c1 1286360047 CIWUADYYYMIYOC-GJZGRUSLSA-N 421.523 1.434 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)Br 1286460447 YPMCCRYLPYSXJV-QGZVFWFLSA-N 413.316 1.925 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C2CC2)N(C)C)CC1 1286484502 LNDSLKMRMPLBHN-FQEVSTJZSA-N 410.570 1.235 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C1CCC1 1287474674 DOYXOCGOKZQUHC-LJQANCHMSA-N 413.570 1.960 30 10 HDEE C=CCn1cc2ccc(NC(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)cc2n1 1289216567 UXLMUNMEUUGIGB-HNNXBMFYSA-N 415.475 1.326 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1292113783 HWFXVKWSGHLWSK-KRWDZBQOSA-N 423.558 1.586 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1292936400 BSRJVOQDIMBHAR-INIZCTEOSA-N 401.488 1.496 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCCN3CCC(O)CC3)C2)C1 1293928320 OVOZUXOKUZXUHA-PSCUFVCCSA-N 420.554 1.736 30 10 HDEE CCN(C)c1nnc(CCOc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1295119899 XGXTYGTUYQYZPB-VXPUYCOJSA-N 410.478 1.882 30 10 HDEE CCN(CC)C[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1295515933 HUCGUJDZVCUFHV-CRAIPNDOSA-N 411.510 1.910 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)cc1 1299419631 DPYZDJAUUFTHMR-UHFFFAOYSA-N 423.535 1.927 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300430562 OBVGBAUPIYNGSJ-LIRRHRJNSA-N 422.482 1.176 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCCC 1300459224 PSPAHZOICVUORZ-INIZCTEOSA-N 403.508 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC[C@H](CO)O1 1300541388 SZCSGYQBOCYLKH-RBUKOAKNSA-N 404.474 1.129 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccs1 1300569260 ILHZMKPUVJFQRY-UHFFFAOYSA-N 415.486 1.889 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1300631097 LFUKVTIVLCFDMY-LAUBAEHRSA-N 414.531 1.474 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCOCC2)CC1 1300712164 NQWPPDCIJKEYMP-UHFFFAOYSA-N 402.543 1.090 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCCNS(=O)(=O)CC 1300800432 RGYAPMMUJMGDCP-LJQANCHMSA-N 404.540 1.605 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1300883909 GAUWEUVSMXZLGE-FCEWJHQRSA-N 416.526 1.269 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300948900 HPGGURZVNGKYIT-CVEARBPZSA-N 402.499 1.862 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1301241848 XPIXDFGDNYTZQD-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1301497764 CYRFQVACTFEEIE-RDBSUJKOSA-N 417.432 1.978 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1301515183 QMZZILPFCXDFFX-MRXNPFEDSA-N 412.494 1.135 30 10 HDEE COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1303710499 IPJNBEPSIYOSLM-DYVFJYSZSA-N 407.492 1.463 30 10 HDEE C[C@]1(Cn2c(CCOc3ccccc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1303991105 NGZISRCUTZNFKJ-NQIIRXRSSA-N 413.478 1.434 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1CCCS(=O)(=O)C1 1304852437 AVPYCHKHFJHXAN-KRWDZBQOSA-N 415.523 1.005 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1305113996 AYIZQLGOPYRPAG-MAUKXSAKSA-N 410.478 1.289 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(C)(=O)=O 1305534640 SACFPAPUCAMUBO-OAHLLOKOSA-N 417.539 1.429 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 1310000230 DCBHDASPAYYXOR-UHFFFAOYSA-N 408.480 1.684 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1313829378 ACAVVGITNVGAGS-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE COC(=O)c1nc([C@H]2CCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)sc1C 1324955961 FOFOXKPDQVWNBN-QIVXWBPLSA-N 418.475 1.818 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCN1CCN(c2ccc(OC)cc2)CC1 1350976341 LWOMGFYXDQTGSK-NRFANRHFSA-N 402.539 1.794 30 10 HDEE CCCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC1=O 1354740305 DIGGORBAJGNAHG-HGNXGAGXSA-N 406.508 1.696 30 10 HDEE CCn1ncc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1Br 1356275658 GTSUYQLLYHMLKD-LLVKDONJSA-N 404.272 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1358872102 OPAICDUKJVKVII-HUUCEWRRSA-N 409.556 1.553 30 10 HDEE C#CCN(c1nnc(C)n1CCCN1CCCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1358957267 RVXRZFSUXGIPMF-QGZVFWFLSA-N 407.540 1.006 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358964305 XFGFWIRJPQTCTG-GJZGRUSLSA-N 416.494 1.528 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(=O)(=O)CC)CC1 1359032623 VQKQRSHHMSTOKP-UHFFFAOYSA-N 415.563 1.697 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1359135412 CKAXRDWJQCISDZ-LAUBAEHRSA-N 419.526 1.377 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCOCC2(C)C)C1 1359318726 KSRRPNNWFYSRQC-GOSISDBHSA-N 415.542 1.571 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2c(C#N)nnn2Cc2ccccc2)C1 1437520466 FTKPPMAIPWJSTP-OAHLLOKOSA-N 402.480 1.198 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H](C)O1 1453420566 UOUKZIQEGFIYMZ-PBHICJAKSA-N 403.284 1.697 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@@H](O)[C@@H](O)C1 1456409838 IYAYZNMAPBKAHS-BNOWGMLFSA-N 413.268 1.489 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(C3(O)CC3)CC2)CC1 1460365149 UQCAFRJZZQURDQ-HXUWFJFHSA-N 400.498 1.771 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1460908680 RADGXRYVWJYWGD-GOSISDBHSA-N 405.520 1.373 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc3c(c2)CCN3C(=O)CNC(C)=O)CC1 1462382870 XOILVPUDXNMRNW-QGZVFWFLSA-N 400.504 1.572 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)c1 1463915949 RJKOCSFKKHMPQT-UHFFFAOYSA-N 417.267 1.405 30 10 HDEE CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)N[C@@H]1CCCN(O)C1=O 1468454494 VZJITSDPKFOGSK-CHWSQXEVSA-N 400.522 1.847 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 1469986315 MZKDPJJLMDHUFI-UHFFFAOYSA-N 400.598 1.770 30 10 HDEE CCCN1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1470460680 KSRQGNOPUCVBNQ-MRXNPFEDSA-N 406.552 1.886 30 10 HDEE C[C@@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C1CN(C(=O)OC(C)(C)C)C1 1471032486 GBVMOTGFNMSXHU-GFCCVEGCSA-N 404.471 1.559 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1471389802 FOCJLXCQWZTGFQ-OAGGEKHMSA-N 413.540 1.321 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CCn3nc(O)c4ccccc4c3=O)C2)nc1 1471983888 KMSNAFUCHWZQQD-INIZCTEOSA-N 418.457 1.862 30 10 HDEE N#Cc1csc(CN2CCN(c3ncc(I)cn3)CC2)n1 1473696509 JARIZHWEDSXOQX-UHFFFAOYSA-N 412.260 1.732 30 10 HDEE CO[C@@H](CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCCC1 1475099639 GTTIWYXAGRMPHD-QAPCUYQASA-N 407.540 1.784 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1475880329 QZNXZSFZNNUCMN-BFYDXBDKSA-N 411.524 1.933 30 10 HDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)n[nH]1 1492691371 HBGNSGZBWBYDQL-INIZCTEOSA-N 408.466 1.623 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)C1=O 1503671557 APNITLRKLHBNCA-NRFANRHFSA-N 422.493 1.534 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1507534273 SISZEYQOMUYTKF-HNNXBMFYSA-N 412.494 1.866 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1CCS(=O)(=O)N(C)C 1507540349 DPRABGCNMNSMKM-INIZCTEOSA-N 405.524 1.249 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1c(C)cccc1C)[C@@H]1CCS(=O)(=O)C1 1507624837 FFWAMGXWTSYDEL-GOSISDBHSA-N 402.520 1.909 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(N(C)C)cc1C)[C@@H]1CCS(=O)(=O)C1 1507626815 PORUKGNRLJSERI-LJQANCHMSA-N 401.536 1.636 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1 1507658197 GTDGXKYENLEKPI-UHFFFAOYSA-N 415.457 1.840 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)c1ccccc1 1507713060 XFDSPJDQZAHXPK-IEBWSBKVSA-N 410.522 1.840 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(C)C)CC1 1507741516 VXSAXCIAXXVUQY-UHFFFAOYSA-N 404.584 1.659 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507755606 VNFUKIWRIGYZGZ-SJORKVTESA-N 420.583 1.143 30 10 HDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1507840477 MZJJJPMNXUFVRA-HNNXBMFYSA-N 417.901 1.800 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccnc(C)n2)CC1 1508079671 CFCXKVZOUZLARZ-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCNC2=O)CC1 1508095928 ZXHPXIRHRCHSIA-UHFFFAOYSA-N 415.542 1.307 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508165268 RDHJZQKMZMOYBS-QGZVFWFLSA-N 418.567 1.916 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1513975065 QVXMTFRRAJMZBQ-IERDGZPVSA-N 407.478 1.010 30 10 HDEE Cc1nn(-c2cccnc2)nc1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1515390883 DDIRLDCFXPQCEG-SFHVURJKSA-N 401.430 1.768 30 10 HDEE CCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1516437995 DFYDDYGGQCVKPK-QZTJIDSGSA-N 410.478 1.543 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1516732109 HHLMZCSHWUUYPE-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@H](C)CC#N 1518540158 DARBQGWWLABQPO-CHWSQXEVSA-N 407.500 1.079 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)cc1C#N 1519549927 AGUYALDZHNHDLR-CQSZACIVSA-N 402.407 1.477 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccco2)cc1 1521089405 CKDXAZBZFYHEGA-UHFFFAOYSA-N 406.446 1.929 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1539003025 KIEVKPMFKUDJDN-OAHLLOKOSA-N 421.505 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(-c2ccccc2)c1 1539012024 DNJQVRGZPHFQPL-FUHWJXTLSA-N 424.530 1.872 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CCCOC)c1 1539039843 KAPPDZAXEKWGES-UHFFFAOYSA-N 405.462 1.828 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C)CC1 1539067446 GSDLCOIYSXKGLA-UHFFFAOYSA-N 403.494 1.964 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539078978 LGWVKLFRRCWKNH-OAHLLOKOSA-N 414.535 1.740 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1539155467 VXNUMKSKJDDFLN-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1539175232 SQMYINMESTUUBT-IBGZPJMESA-N 408.506 1.179 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1Cc1cn(C2COC2)nn1 1539196080 ADRHASYZAGRVCZ-UHFFFAOYSA-N 423.477 1.536 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1539257339 IFHLWCOVTNHGOR-UHFFFAOYSA-N 422.518 1.277 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539341087 YVLZRRVWPWKNED-CQSZACIVSA-N 400.449 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1539556200 MPAQRWQNBQGRFO-HTAPYJJXSA-N 422.489 1.134 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1539741484 MTGPPMJLVYQELQ-HNNXBMFYSA-N 404.467 1.899 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(N2CCOCC2)CCSC1 1540044216 OYBZAOYJUINQCR-FQEVSTJZSA-N 420.583 1.344 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1540544056 LFNYCMNPOKWLAP-UHFFFAOYSA-N 417.485 1.155 30 10 HDEE CC[C@H]1CN([C@@H](CC)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCO1 1540590948 HBLQUYXVZRFXID-WMZOPIPTSA-N 401.511 1.962 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CCc1cnccn1 1540901265 YEKQDMUTLGYKRP-UHFFFAOYSA-N 401.496 1.343 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1541619888 NQAFNHBCHQQISP-FXAWDEMLSA-N 420.533 1.849 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21)C(=O)OCC 1544338403 DSVKRJDCOYMACQ-GFCCVEGCSA-N 411.798 1.511 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1554353492 DVBAJTYWLXUPGO-UZLBHIALSA-N 414.897 1.729 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1554462642 LFSMXFZVRDCNNO-ZWKOTPCHSA-N 412.494 1.319 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC3CCN(C(=O)c4cn[nH]c4)CC3)n[nH]2)c1C 1556854283 LUVHCFMKADXKSW-UHFFFAOYSA-N 422.493 1.834 30 10 HDEE CN(C)CC#CCNC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 1557899581 SGXAXCKSASAVFO-UHFFFAOYSA-N 414.325 1.185 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558642801 DMIXQYDVUZIVQN-KPZWWZAWSA-N 422.869 1.984 30 10 HDEE Cc1c(C#N)c(=O)n(CCCC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n1CCO 1559456728 MWVCIJKFGSNYNS-UHFFFAOYSA-N 420.510 1.610 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(Cl)c1C(=O)OC 1561154600 GQQNTONBQFFJKC-LLVKDONJSA-N 407.897 1.490 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(F)F 1569441243 KUDFVAXDUFYTHT-QPQCVSCISA-N 416.425 1.568 30 10 HDEE N#Cc1c[nH]nc1NC(=O)c1c[nH]c2ccc(I)cc2c1=O 1570568756 JBCSZLNTSGLQMT-UHFFFAOYSA-N 405.155 1.980 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)[C@H](C(=O)OC)C1 1583241571 RVQKOMJGMQKSTJ-GWCFXTLKSA-N 409.236 1.888 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@@H](CO)Cc3cccc(F)c32)cc1 1583267319 FWAVNIOKQXRUDT-INIZCTEOSA-N 402.447 1.810 30 10 HDEE CN(C)[C@@]1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)COc2ccccc2C1 1584637513 JEYFZVKSFSVRKY-HSZRJFAPSA-N 405.502 1.974 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1 1585177236 BRRRQIITYUZBJI-UHFFFAOYSA-N 410.499 1.777 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)C2=CCS(=O)(=O)C2)CC1 1585535567 ZHAHOKRNMPYZSG-INIZCTEOSA-N 424.320 1.513 30 10 HDEE Cn1cnn(CCC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1585625291 MBWMZYJITIVROI-YUMQZZPRSA-N 422.276 1.601 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1586803284 BROAZJJIFYBIQT-SJLPKXTDSA-N 406.464 1.900 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc1 1587441483 PMMNPJFOKUJWBN-UHFFFAOYSA-N 401.488 1.983 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@H]1OC 1587931784 DVAFTPYLTMETIM-FUHWJXTLSA-N 418.519 1.470 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCn1cc(C)cn1 1588185122 BSORNVTWFSLWNN-QFIPXVFZSA-N 410.522 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C 1588253887 IEBPEPIGDDMUCZ-VGOFRKELSA-N 412.465 1.999 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1588271519 KUBYPPAORIMJAU-NRFANRHFSA-N 412.494 1.929 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[S@@](=O)CC)CC1 1588780339 MBGANBRQUSQIBK-MHZLTWQESA-N 406.943 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN2CC)CC1 1588923870 OMYNZZMRVMANOZ-SFHVURJKSA-N 422.537 1.185 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589495551 RZEUUNOAVLOFDF-AZUAARDMSA-N 404.559 1.558 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CS(C)(=O)=O)CC2)CC1 1594169141 UOROSLZUGMNCIF-UHFFFAOYSA-N 421.567 1.741 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1595466680 LKGHVBCANYOQRH-UHFFFAOYSA-N 402.459 1.650 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(CCOC)[C@H](C)C1 1595517153 QUZDDJMAAJMPAE-GOSISDBHSA-N 412.538 1.713 30 10 HDEE N#Cc1c(CCCNC(=O)C2=C[S@](=O)CCC2)nn(-c2ccc(F)cc2)c1N 1595532348 APGDTYMHHXBMOH-MUUNZHRXSA-N 401.467 1.940 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1596079658 TUIBNZULWLQUFP-QGZVFWFLSA-N 423.560 1.876 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H]3C(=O)NC(=O)[C@H]3C2)n(Cc2ccccc2)c1C 1618063352 QCIKCNCHWBSDIK-HDICACEKSA-N 405.458 1.168 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C1 1618578945 XTSNRKGVBAKUPK-OAQYLSRUSA-N 412.494 1.178 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)N(CCC#N)c2cccc(C)c2C)CC1 1620315528 QJUDLYYNAXVGCJ-UHFFFAOYSA-N 402.495 1.313 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1621714874 GVUSLYNDFGNQCE-CVEARBPZSA-N 408.499 1.233 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1622860970 HBWWLNPKMAIUAN-NSHDSACASA-N 414.325 1.696 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1 1624398850 FXHFELYMPDPZGW-IBGZPJMESA-N 411.433 1.057 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCn3ncnc32)c1 1624893054 RTTGERRBHXXKJG-JZRFMTABSA-N 402.480 1.607 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 1626081638 KPMKBEUHJFXTSE-UHFFFAOYSA-N 411.437 1.575 30 10 HDEE COCCNC(=O)CNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1628506291 FRPOOKDXDWMBDO-SFHVURJKSA-N 416.478 1.271 30 10 HDEE COCCN1[C@H]2CC[C@H]1CC(N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1628723232 RSDDDFQDOYTNPO-GJZGRUSLSA-N 423.510 1.837 30 10 HDEE NC(=O)c1cn(CCC(=O)Nc2cccc(C#Cc3ccccc3)c2)c(=O)nc1O 1629248294 DZHSTZIRMRJWKN-UHFFFAOYSA-N 402.410 1.476 30 10 HDEE CCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1ccccc1OC 1630030396 GFIPKGSMUGDUJW-UHFFFAOYSA-N 408.418 1.007 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)c2nccc3c(S(N)(=O)=O)cccc23)C1 1631964879 UZUTUKUVTNIGCD-NRFANRHFSA-N 421.482 1.975 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(NN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)c2)CC1 1633140907 NXUQWKGKPNVKOP-RTBURBONSA-N 407.470 1.955 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)C1CCOCC1 1633762758 GONOLNKQRPYVMQ-PWRODBHTSA-N 410.518 1.313 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(C(C)(C)C)cc1 1634303259 ZTLWADNCKLVHJH-ZWKOTPCHSA-N 424.563 1.570 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(CNC(=O)OC(C)(C)C)CCCOC2)CC1 1635345792 HPWPFAFSENRTHP-HXUWFJFHSA-N 409.483 1.613 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1636838468 AXXWFNHONIYLPH-KBPBESRZSA-N 411.271 1.941 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1 1636838740 JEHYLPXSKFAJMV-INIZCTEOSA-N 403.456 1.967 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@H](Oc1ccc(Br)cc1)C(=O)OC 1640427730 ACRRDQCQMSWKKG-AWEZNQCLSA-N 414.252 1.995 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)NC1=O 1640482855 DSIYZDZBOGFAJC-LAPQFRIASA-N 406.483 1.272 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 1641300314 YCZFRVBBACHGME-UWJYYQICSA-N 412.490 1.955 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c1C#N 1641801440 AMUWTRXQQPUXKA-NWDGAFQWSA-N 422.454 1.195 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@H]([C@H]2CCCO2)C1 1648399401 HEVOIKMVXXGHHR-NZSAHSFTSA-N 406.504 1.765 30 10 HDEE COC[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCCOC1 1652072735 CADUXEPRCWBMID-ZBFHGGJFSA-N 409.508 1.063 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)cc1 1652331864 JVODHAYMCMWADA-QGZVFWFLSA-N 413.503 1.872 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 1653634048 FRDJEEYBHXEMIV-UHFFFAOYSA-N 406.291 1.708 30 10 HDEE CCOc1ccc(N2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 1659532808 HNHYDHXTSRQHHD-UHFFFAOYSA-N 401.492 1.343 30 10 HDEE C#CC1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)CC1 1668776508 NOEBTOQLQIXAKB-UHFFFAOYSA-N 404.536 1.890 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(COC(C)(C)C)c2C)CC1 1669594940 SIHUGPXDRSSSMO-UHFFFAOYSA-N 422.551 1.927 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(S(C)(=O)=O)c2)n1 1681119130 OMTHGELPJWCWEV-UHFFFAOYSA-N 404.492 1.278 30 10 HDEE CC(C)(C#N)CNC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1681487218 PFZYNOASBTXRFE-HNNXBMFYSA-N 407.515 1.789 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3C[C@H]4CCC[C@@H]4O3)CC2)cc1 1683821422 ZZFBAPYHAOAPCS-AOIWGVFYSA-N 418.519 1.532 30 10 HDEE C=CCn1cc(CNC(=O)N2CCNC(=O)[C@@H]2c2cccc(Br)c2)nn1 1686847990 STWRCMPTORITLV-HNNXBMFYSA-N 419.283 1.609 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c(O)nc1=O 1687568374 YTWZLFLFCTYHSL-UHFFFAOYSA-N 416.507 1.669 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1689928505 POIVLBYBAJQAFG-WMZOPIPTSA-N 400.527 1.332 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)COC 1690013178 DWUZOSUWPQVIOM-INIZCTEOSA-N 404.474 1.547 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690507639 RNRNBBXRFFTCIC-QGZVFWFLSA-N 418.542 1.517 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCn1cncn1 1690527917 URDGTUSWLHHRDT-HNNXBMFYSA-N 418.502 1.500 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1690533285 DKTVIMVJDWQQFZ-UHFFFAOYSA-N 405.466 1.796 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cc(C)nn1C 1690609428 OEOIWGBIVSPVHP-UHFFFAOYSA-N 410.482 1.654 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 1690671880 BDACXLQQWNNLBN-MRXNPFEDSA-N 411.510 1.701 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1692847827 GSLDDISETYDMNE-ZPHPHTNESA-N 420.477 1.930 30 10 HDEE CCOCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696268387 CGSWZWDFKCHLQU-MGPWXQLLSA-N 418.498 1.345 30 10 HDEE CN(CCc1cnccn1)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C#N)o1 1696784731 DNXNPXJJCMCMOC-UHFFFAOYSA-N 406.450 1.496 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(Cn2cncn2)CC1 1696999178 ACLXNPWMTPYPJO-UHFFFAOYSA-N 419.493 1.461 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 1705559704 FCMPDLSTJWXPRQ-SFHVURJKSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1705560582 IESBLLZBOIYMOB-XLIONFOSSA-N 422.551 1.523 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCSC1 1705580069 CJAHNCDFKDBMNQ-OAQYLSRUSA-N 420.498 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2F)n1CCNS(=O)(=O)CC 1705599723 WDNIWZPBOMQVBJ-UHFFFAOYSA-N 417.510 1.410 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CCOCC2)CC1 1705638048 WHLUQKSHJQBNNQ-UHFFFAOYSA-N 413.551 1.403 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C)CCCC2)CC1 1705639394 NCPQDYZXMREYQT-KRWDZBQOSA-N 405.568 1.516 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CCN(CC)[C@H](C)C1 1705904945 DCLOVDFBUWNQAJ-QGZVFWFLSA-N 412.538 1.710 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NC(=O)COC)CC1 1710826364 XTJCKBJPRIFTGA-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1n[nH]c(C)n1 1712639789 KOAVPYGHOLTYPL-YEWWUXTCSA-N 404.450 1.113 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)N(C)C 1722293326 ZJZPHOGLLTXMSW-ZDUSSCGKSA-N 411.478 1.496 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1Cc2ccccc2O1 1722387905 QZZYTKTWJNTWGN-LJQANCHMSA-N 403.486 1.981 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CC2(O)CC2)CC1 1722433385 TZOPIENLBZWGRI-UHFFFAOYSA-N 419.327 1.326 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCN2CCOCC2(C)C)CC1 1722438294 VFRWOEFIWXWVPA-UHFFFAOYSA-N 402.587 1.733 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCO[C@@H]2CCOC2)CC1 1722439593 IFYVEQBVKGJCMD-HXUWFJFHSA-N 401.555 1.962 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](C(F)F)N2CCOCC2)CC1 1722564713 DIIFKGCXQCJMKW-HZPDHXFCSA-N 424.496 1.742 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1722661919 AODZGVGECYCJEV-FOIQADDNSA-N 414.535 1.962 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CC=CCC2)C1 1722709530 RWKFNHCHPFUPIE-SFHVURJKSA-N 423.521 1.969 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)C 1722738315 GCOLWLRQIYPLEF-AWEZNQCLSA-N 415.585 1.060 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nccs2)CCO1 1722841716 FGJKIYHCNTWSIL-KRWDZBQOSA-N 423.502 1.663 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)c1 1727607300 KWIGCLQCCGTKOP-UHFFFAOYSA-N 405.510 1.800 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCOC[C@@H]2CCOC2)cn1 1729569135 KCBQUEMZAHRELJ-HNAYVOBHSA-N 403.462 1.564 30 10 HDEE COCCN(C)c1nnc(-c2ccccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1730716006 CENXLJOTZSRVQE-HTXNQAPBSA-N 414.441 1.693 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NCC=C 1740538035 BYVDGLIFWUDICS-AWEZNQCLSA-N 401.492 1.109 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1740549764 FRXNPZLZDZXDSQ-DLBZAZTESA-N 413.497 1.961 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1740609522 KJYUASWARDWQIZ-HNNXBMFYSA-N 406.483 1.583 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCOCC1 1740610846 MRWQYCNBSDGDOK-QGZVFWFLSA-N 411.462 1.142 30 10 HDEE C#CCN(C)c1nnc(CC2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1740618356 CNMQWESDVXWBOO-UHFFFAOYSA-N 406.512 1.188 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1740622773 IJSUWWWAHOSMAD-KNBMTAEXSA-N 408.568 1.969 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1740671493 ILKLEWXWSUAFHF-KRWDZBQOSA-N 415.519 1.646 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)CN(C)C1=O 1740677059 PWWNAAWOUFGWEX-HTAPYJJXSA-N 424.480 1.486 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1740813270 AWSFOEGWMXJTJY-SFHVURJKSA-N 424.958 1.907 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740961284 SBDWAYWJJKFZJT-QFIPXVFZSA-N 408.506 1.338 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](CC)N2CCCC2)C1 1740979863 LRWWEHJZVCKOAX-RCCFBDPRSA-N 402.543 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCCN(c2nc(C)ns2)CC1 1740987715 XVIJONWPWVNTAF-UHFFFAOYSA-N 411.557 1.064 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H]2c2nncn2C)nnc1C(C)(C)C 1740994907 YIBKJKUFBRIGJR-AWEZNQCLSA-N 407.544 1.646 30 10 HDEE CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1745387338 JMHLSTCECOOXFK-SFHVURJKSA-N 412.494 1.870 30 10 HDEE CN(c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1747636663 AZWJGLIOABDLOK-KBPBESRZSA-N 405.480 1.308 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1747730476 IRLJDWFUMASCQL-RCCFBDPRSA-N 410.478 1.277 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1748729781 ALRLCEWABAUIQG-YADHBBJMSA-N 415.538 1.981 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1748745375 LLXVSQVQTNJILW-RXVVDRJESA-N 421.549 1.742 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(N2CCOCC2)CC1 1748779506 MSOMUSLDDSIQHX-UHFFFAOYSA-N 411.506 1.897 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1cccc(COC)c1)[C@@H]1CCS(=O)(=O)C1 1748814180 AISIAOOWPBMGTL-LJQANCHMSA-N 414.531 1.977 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCOc1ccccc1)[C@H]1CCS(=O)(=O)C1 1748814569 GQFXQMSDNJQPSI-KRWDZBQOSA-N 400.504 1.861 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748818196 XEHTWURSGRAPMN-IRXDYDNUSA-N 418.494 1.596 30 10 HDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1748820154 ZQJJYMAJWDTLNJ-SFHVURJKSA-N 424.530 1.719 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748825486 ZSGLLSPPAZDCRE-HUUCEWRRSA-N 414.478 1.802 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCCn1cc(CO)nn1 1748837535 HJEPZSQMUOLVDI-UHFFFAOYSA-N 409.881 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN(C)C1CCCC1 1748948563 RGOGJIZDYLUHQY-UHFFFAOYSA-N 402.543 1.475 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749033837 OBOIYPRSIANMRR-UHFFFAOYSA-N 411.597 1.772 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749139736 ISNKHFJYTUERIV-AYBZRNKSSA-N 418.542 1.836 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749399000 YIVQZKPSDUWGNZ-CVEARBPZSA-N 424.571 1.351 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCO[C@@H](C)C1 1749659554 GYQZAZHCIWMPKM-HNNXBMFYSA-N 415.494 1.880 30 10 HDEE COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749848247 HMQZBQNMPATKBR-UHFFFAOYSA-N 424.534 1.874 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1750071270 YKICDBSWHQVCQV-QWRGUYRKSA-N 406.384 1.742 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N(C)C[C@H](C)C#N 1750076940 BYFXGMVWQLTWSL-CQSZACIVSA-N 410.569 1.854 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C1CC1)N(C)C 1750154135 GZHKAHXOLQMXEG-MLHJIOFPSA-N 404.515 1.071 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1750644948 ALZPDCGGSUKIKN-KRWDZBQOSA-N 422.537 1.909 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1751105571 QNOLBNABVOXFLW-CQSZACIVSA-N 418.461 1.730 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1760143120 WXOKTQLKAPLGPG-FQEVSTJZSA-N 405.499 1.622 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(OC)nc1)[C@H]1CCS(=O)(=O)C1 1760183801 TWYCBAHFEMHGOP-RDJZCZTQSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1760185152 QPKWNRHEVQGZJE-GOSISDBHSA-N 402.520 1.997 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1nncn1-c1ccccc1 1760246225 MWBBYJLHLPBXLQ-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCNC(=O)CC2)nnc1[C@]1(OCC)CCOC1 1760328196 RXAUDGCFKDHTCK-MDKPJZGXSA-N 419.526 1.238 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760494750 ZMYVMPUHMTZZFK-IRXDYDNUSA-N 409.556 1.632 30 10 HDEE CCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCOCC1 1762513463 FQIMRRNODIEOTQ-HUUCEWRRSA-N 412.560 1.691 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCn1ccnn1 1771180471 MQZGNSJZGHKYPR-INIZCTEOSA-N 402.503 1.814 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)cc1 1771531943 JMMGRCPOBWNGSZ-MJGOQNOKSA-N 424.505 1.572 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC(=O)NCc2ccco2)CCO1 1771539474 ZBWHYIOSVZXEFN-LJQANCHMSA-N 420.473 1.701 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1cccc(S(=O)(=O)NCC2CC2)c1 1772788268 OAKBCDMBVONEFA-UHFFFAOYSA-N 400.412 1.743 30 10 HDEE Cc1cccc(S(=O)(=O)NCC(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1849013816 WTBIYBRIASVCIM-UHFFFAOYSA-N 404.536 1.500 30 10 HDEE CN1CCC(N2C[C@H](C(=O)Nc3snc(C(F)(F)F)c3C#N)CC2=O)CC1 1850111357 DBVJHVNHTRJPGV-SECBINFHSA-N 401.414 1.915 30 10 HDEE C[C@@H]1Oc2ccccc2O[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851193011 MKEREGUJFVNJTA-OXJNMPFZSA-N 408.458 1.847 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 1851929722 NTVWAZBZJRQXDN-HXUWFJFHSA-N 418.453 1.955 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(-n3cccn3)nc2)CC1 1852130033 UOKYDSNPOQJGJJ-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE COC(=O)c1c(C)cccc1S(=O)(=O)NC(C)=NOCCCN1CCOCC1 1853551570 UJCCYKVAZQEGEG-UHFFFAOYSA-N 413.496 1.132 30 10 HDEE C=C(C)CN1CCN(C(=O)CCn2nnc3ccccc3c2=O)C(=O)C12CCCC2 1853695152 KMHMDRZEOQMZSX-UHFFFAOYSA-N 409.490 1.741 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc(OCC)cc2)C1=O 1853789714 MWEOQSARAJKZEC-UXHICEINSA-N 413.518 1.864 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCCC[C@H](N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854072799 KLEFWRYYKHTGKR-WMZOPIPTSA-N 411.568 1.606 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1854157777 IWTGYGHGCXTAPL-MSOLQXFVSA-N 414.893 1.866 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1=O 1854331056 SRHQZZNMLSDAJE-ROUUACIJSA-N 405.445 1.744 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)COc2ccc(-n3cnnn3)cc2)C1=O 1856041285 KZSIEBIRVINWKC-LJQANCHMSA-N 410.478 1.623 30 10 HDEE CCS(=O)(=O)C1CN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1856145205 VFYCFQFWDFVDJM-SFHVURJKSA-N 403.504 1.127 30 10 HDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3)C3(CCCCC3)C2=O)CC1=O 1856598392 SOGAFTWWUFVIBB-IBGZPJMESA-N 408.502 1.910 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnn1C 1857020643 JLSCTICUGSTIAU-HNNXBMFYSA-N 414.487 1.879 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccc(F)cc1 1857070142 IDJMYZLKDZWTCJ-CQSZACIVSA-N 415.446 1.900 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)nn1 1857434258 SGCCDZGJWJVEAJ-UHFFFAOYSA-N 411.437 1.824 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)c1 1858298674 VQCVPUBCNMDZGV-INIZCTEOSA-N 415.471 1.768 30 10 HDEE C#CCOc1cn(CCN2CCOCC2)c(CNc2ccc3[nH]ncc3c2)cc1=O 1871004610 OSJZAOAHWFHPJK-UHFFFAOYSA-N 407.474 1.681 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3c(F)cc(F)cc3F)CC2)CC1 1889350581 URDADAYORHPAFT-UHFFFAOYSA-N 423.479 1.905 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1890102742 LFTCWSBBERSCKK-QGZVFWFLSA-N 406.490 1.903 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)OCC#CCN1C(=O)c2ccccc2C1=O 1923232148 DKQOVLFYJUFGJB-UHFFFAOYSA-N 402.362 1.125 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C 1962794221 PMMPIJUEGBUDMI-LBPRGKRZSA-N 402.289 1.645 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1982298520 WAEWQOMNNSDKDH-UHFFFAOYSA-N 413.334 1.576 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O)C(=O)O 2046018791 KPUCNXGGIWNBFH-KDOFPFPSSA-N 412.439 1.350 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)C#CBr)CC1 2054316030 MRLHKLNUWGJXCM-CYBMUJFWSA-N 414.300 1.413 30 10 HDEE O=C(CCOCCOc1c2occc2cc2ccc(=O)oc12)ON1C(=O)CCC1=O 2060423838 QOMBAMYMRZAYRD-UHFFFAOYSA-N 415.354 1.932 30 10 HDEE COC1(CCNS(=O)(=O)N2CC[C@@H](C#N)C2)CN(C(=O)OCc2ccccc2)C1 2118161978 GISYQJUDDDLYAW-KRWDZBQOSA-N 422.507 1.094 30 10 HDEE CC(C)(C)OC(=O)NCC1CC(F)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174778869 CDUFBDMVZBMSDL-UHFFFAOYSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1C(F)F 2174789510 RGWRLNXKVIEBHG-OLZOCXBDSA-N 402.423 1.732 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174789602 SJTJLXAZRCFSGM-HUUCEWRRSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2190124177 YTKUGGGJMQWFDX-KRWDZBQOSA-N 415.899 1.862 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243384330 NUHVHNZIXVOFRE-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE C[C@@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243418547 GFKNHHRUDFEDKN-CQSZACIVSA-N 400.288 1.138 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247863165 NCWXYGQDPWLVAO-UHFFFAOYSA-N 424.303 1.538 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2267468572 LLBBLRLHFXUHIN-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267714732 ZTRVAHHBZNDUFT-JNDILOIQSA-N 407.388 1.483 30 10 HDEE Cn1nc(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)c(Cl)c1Cl 2281984598 DIKMYXZVLBEORM-UHFFFAOYSA-N 400.075 1.679 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282017835 PICCTKATBULWKF-MNOVXSKESA-N 400.331 1.138 30 10 HDEE CC1(C2CCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)CC2)OCCO1 2282178076 LEHYJGFIILCIID-UHFFFAOYSA-N 402.300 1.996 30 10 HDEE COC1(CO)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282316236 ZLQVALHDMHONHI-UHFFFAOYSA-N 423.749 1.083 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(N3CC(F)C3)C2)OC1(C)C 2282331107 JOLULAONCMMLJI-UHFFFAOYSA-N 402.322 1.074 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CCN)CC(F)(F)F)c2)OC1(C)C 2282334184 YGTJHEMVKQRCLR-UHFFFAOYSA-N 414.280 1.559 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@]3(C)CCNC3)ccc2Cl)OC1(C)C 2282490735 IRNJFQWLOWHTIB-KRWDZBQOSA-N 400.737 1.670 30 10 HDEE CN(C[C@@H]1CCCO1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282498062 YJXPWPSIFDYNDY-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE COC(=O)CN(C)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282498937 LKKTUSDWULDCPS-UHFFFAOYSA-N 403.331 1.458 30 10 HDEE C[C@H](O)[C@@H]1CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282502103 GSSHKWGVHZPJTN-FZMZJTMJSA-N 401.721 1.783 30 10 HDEE CN(C)C(=O)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282504587 RBZVXJUQPODCLL-UHFFFAOYSA-N 402.709 1.006 30 10 HDEE CC[C@H](N)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506630 VKSRIELBHPJNDM-LBPRGKRZSA-N 403.379 1.331 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282512802 VUGGAIGCACZCNU-VWLOTQADSA-N 422.765 1.902 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCC[C@H]2C2(C)OCCO2)n1 2282553309 QOQCCCHUNZOQDV-HNNXBMFYSA-N 405.304 1.477 30 10 HDEE CO[C@@H]1CNCC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282613856 NORPPRNWUSKMFS-NWDGAFQWSA-N 400.737 1.807 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2282828500 PEEXTRYPTVKPNL-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCN)CC(C)C 2282842372 XIERQYOZMOVLRF-UHFFFAOYSA-N 402.391 1.961 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCCNC1 2282852635 RSMKZCAWJGRPMU-CHWSQXEVSA-N 400.375 1.714 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282864473 GKYMZUGREQKNSR-SHZVTRLKSA-N 401.359 1.373 30 10 HDEE CC1(C)[C@@H](O)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869367 BSEFKSHEPWFHAG-OLZOCXBDSA-N 401.359 1.626 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282872585 YTTDIDZFHJITQT-JOCQHMNTSA-N 400.375 1.680 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400523 AWRQQQGZRACYKY-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284409650 LWWQAGWVXLPZAU-LLVKDONJSA-N 401.315 1.582 30 10 HDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 2296623229 CZEAPCSDMKNVFX-HXUWFJFHSA-N 424.501 1.791 30 10 HDEE O=C1CSC(=O)N1CCNC(=S)NN=Cc1ccccc1Br 2330440969 WCNAFFGLALIKSP-UHFFFAOYSA-N 401.311 1.943 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccccc2)n1N=Cc1ccc[nH]1 2330794127 DUTISUVYRVMOAT-UHFFFAOYSA-N 411.491 1.533 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365203103 HPNNOOICOPGQND-NRTGNBEESA-N 402.557 1.585 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783060 DFEOAZQVGLFNPW-HRCADAONSA-N 400.541 1.556 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CO[C@@H](C)CN1C(=O)OC(C)(C)C 2367795312 DLMDOQUIENQMLK-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367800498 KCYWQUDJSNRFOH-CABCVRRESA-N 401.525 1.733 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H](C)CNC(=O)OC(C)(C)C 2367809599 OUULHAFULHMQIV-BZUAXINKSA-N 402.557 1.457 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367816956 QPNNJUJDLPZJLE-BZUAXINKSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2370792371 NHOLKZZPJTVZIE-SOUVJXGZSA-N 400.541 1.291 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccnc(N4CCOCC4)c3)cc2C1=O 25758673 RXUSONCKRPEWOW-UHFFFAOYSA-N 406.442 1.630 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCNC(=O)c2ccccc2)cc1 31030176 FAKHEVPMCZTJPG-UHFFFAOYSA-N 400.460 1.038 30 10 HDEE C=C/C=C/C[C@@H](C)[C@@H](O)[C@@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96031160 RQANTYOZRJNRNJ-HFCRUXOPSA-N 423.598 1.917 30 10 HDEE CCCCN(/C=N/c1nc2c(ncn2[C@H]2C[C@H](O)[C@@H](CN)O2)c(=O)[nH]1)CCCC 100315598 RWVHPSYSLWPVKA-GJNSJXAISA-N 405.503 1.289 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1 169680634 URFDEDURMYRKTK-TZIWHRDSSA-N 422.522 1.048 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])ccc2N(C)C)cc1 254511257 YKVHGXWFWUPWQZ-UHFFFAOYSA-N 405.436 1.932 30 10 HDEE CN1CC[C@]2(CCN(CC(=O)N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2)C1 429004716 RBBGPRYXAQLWSU-QFIPXVFZSA-N 424.505 1.482 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1OC 460956253 FARMGMDHMNUGBK-QGZVFWFLSA-N 420.535 1.764 30 10 HDEE COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 462091463 ZBFOMWIURAYKIG-ZBFHGGJFSA-N 411.466 1.534 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1F 462675942 IOQSYRYGLJQGKP-LJQANCHMSA-N 417.462 1.446 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4c(cc5ccccc54)C3)CC2)o1 463350001 FTJXTKODQTXKHG-UHFFFAOYSA-N 404.474 1.974 30 10 HDEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 471915976 VXSGDUMPUBOPJN-HNNXBMFYSA-N 414.281 1.637 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCNS(=O)(=O)c2cccs2)c(F)c1 480706827 OYUYCSDECCXTMD-UHFFFAOYSA-N 403.482 1.157 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c(OC)c1 483077850 QFWACJHYEAZWOQ-NPPFBWRTSA-N 405.491 1.675 30 10 HDEE CN(C[C@@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 494558924 SMMWFMYYIRUGAZ-FQEVSTJZSA-N 403.479 1.955 30 10 HDEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CC(=O)N1C 502909011 KUDUEHGFAXTTFT-JKSUJKDBSA-N 413.522 1.519 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 517998813 QABIQFAQXMTNQP-UHFFFAOYSA-N 413.565 1.400 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CC(=O)Nc2cccc(C#N)c2)CC1 532546643 IRXGYTFRPOSTRM-UHFFFAOYSA-N 413.503 1.227 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C[C@H](C)C#N)C3CC3)CC2)cc1 533141114 UVKDXEGGDIDNNY-QGZVFWFLSA-N 404.536 1.452 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCO2)CC1 549891292 DFDPRVUBIIOYGL-SFHVURJKSA-N 402.543 1.539 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cc1 553696811 LDBGQFSUZMAPGU-UGKGYDQZSA-N 419.485 1.830 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2C[C@H]2CCCCO2)c1 555478768 APIJAEVCQXEVHS-WOJBJXKFSA-N 408.506 1.907 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C[C@H]2CCOC2)cc1 555489031 PJIOBGIOCZIIIB-VGOFRKELSA-N 406.490 1.960 30 10 HDEE Cc1nc(N2CCN(C)CC2)cc(N2CCN(C(=O)c3ccc(C#N)cc3)CC2)n1 585478322 TUOXQTNWGJXJQL-UHFFFAOYSA-N 405.506 1.371 30 10 HDEE C=CCOc1ccc(NCC(=O)c2ccc3c(c2)NC(=O)CO3)cc1-n1cnnn1 586323085 VKXTVEGPAAIBMU-UHFFFAOYSA-N 406.402 1.853 30 10 HDEE C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 603444557 HATQGULNKNWERF-WFASDCNBSA-N 415.391 1.785 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1C(=O)NCCOc1ccc(C#N)cc1 610403407 UAVCQBPJYFUBDR-HXUWFJFHSA-N 418.457 1.776 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c(F)c1 610924134 LOSZHQWZTKFXLV-MRXNPFEDSA-N 422.416 1.904 30 10 HDEE CC(C)CN(C(=O)COC(=O)Cc1ccc(OCC#N)cc1)[C@H]1CCS(=O)(=O)C1 732366286 XFRUFBLPXJEYGO-KRWDZBQOSA-N 422.503 1.346 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCN1C1CC1 732700717 JHBDUOYECPTGNR-PXNSSMCTSA-N 410.522 1.270 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCN(c2ncnc3c2cnn3C)CC1 739836840 GGNWXDLRPZQXAA-UHFFFAOYSA-N 414.477 1.582 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 751724105 JQKVMYPJSZAJBU-UHFFFAOYSA-N 400.410 1.346 30 10 HDEE COc1ccccc1[C@@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 765901795 WXHNSCUSANGVBT-GUYCJALGSA-N 403.460 1.083 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 772739093 BHXXTMPWEPPOGH-RUIRWZRLSA-N 406.483 1.807 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnc(CC(C)C)s2)c(=O)n1C1CC1 772908213 CIZXCQCONRWPSJ-UHFFFAOYSA-N 416.572 1.929 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cccc(F)c3F)cc2C1=O 775018538 MPUVGZVNTZYDQP-UHFFFAOYSA-N 406.366 1.866 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 779712416 IPVFDGNFKJSMHD-IRXDYDNUSA-N 423.558 1.261 30 10 HDEE COc1cnccc1[C@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 783866559 ANVLOHOMYLGWSJ-ZDUSSCGKSA-N 402.476 1.786 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C3CCN(C)CC3)CC2)n1 788941920 SYCJEFFTYPANLO-UHFFFAOYSA-N 416.570 1.233 30 10 HDEE CS(=O)(=O)CC[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 789389063 PODLFRQCEYLVOX-SFHVURJKSA-N 420.512 1.723 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)NCC(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 791718317 XAGOVXJZLFRMDS-OAQYLSRUSA-N 423.510 1.614 30 10 HDEE N#CCOc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 802612811 OIFQDSBNQIVKAK-KRWDZBQOSA-N 422.441 1.324 30 10 HDEE C#CCCS(=O)(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 808308865 DOAXAQIRFABVQL-DLBZAZTESA-N 406.504 1.613 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1 809357811 JEPGLCSZHFZLLI-FQEVSTJZSA-N 423.448 1.793 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 811428813 AAOKJHJCYXWVHI-QGZVFWFLSA-N 405.426 1.923 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@H](C)C#N 812103320 LPDZWTFCUISIHX-CABCVRRESA-N 408.503 1.829 30 10 HDEE Cc1cc(C)c2c(c1)C(=NOCC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)C(=O)N2 813166681 FMONCVHNKCBDIS-OAHLLOKOSA-N 421.519 1.648 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(C#N)cn2)CC1 813708094 VKVLWHZSXNMVRO-UHFFFAOYSA-N 402.480 1.010 30 10 HDEE CSCC[C@H](NC(=O)c1ccco1)C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 916774938 GKVDMOKSBJXYPC-HNNXBMFYSA-N 421.500 1.649 30 10 HDEE C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 920731184 MZPANPVBDNCYBR-DHDCSXOGSA-N 422.503 1.267 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)cs1)C(N)=O 1129493092 GGFBCRVIGPRBNN-VIFPVBQESA-N 401.473 1.508 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1130018834 KADYFBVBSCZYFN-QZTJIDSGSA-N 411.483 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)N(CCC#N)CCN2CCOCC2)C1 1136457947 LIYPLRSRZMHWKT-DLBZAZTESA-N 412.506 1.656 30 10 HDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC#CCO 1139145855 RTHZVNMAXBSHHD-AWEZNQCLSA-N 402.310 1.154 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCCC[C@H]3CNS(N)(=O)=O)cc2)nc1 1140720324 XESOZNCQWCJJBU-INIZCTEOSA-N 415.475 1.533 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nc(N)ns2)CC1 1149349662 KZBAVIIOOYHFHW-LLVKDONJSA-N 416.935 1.805 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C(C)=C/c2ccc(Br)o2)CC1 1152973023 HFHUSAQLWMKPRT-VAWYXSNFSA-N 416.297 1.057 30 10 HDEE N#CCc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)n1 1153245706 LFWVDONIVSNJMX-UHFFFAOYSA-N 401.379 1.896 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)CC1 1153262318 KNHFZOCVJWJTDN-UHFFFAOYSA-N 408.520 1.716 30 10 HDEE C=CC1(CC(=O)N2CCN(S(=O)(=O)CC)C[C@H]2C)CN(C(=O)OC(C)(C)C)C1 1157300429 SNXWWVHMQQDSFD-OAHLLOKOSA-N 415.556 1.682 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1158560345 VWOGCJWSRWEWBE-AWEZNQCLSA-N 401.220 1.774 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cc2nnn(C(C)(C)C)n2)c(=O)c1C#N 1161250064 ABPRCESDFYOKTQ-UHFFFAOYSA-N 408.260 1.154 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1165382548 XDGHUWHTNOYQMP-JOCHJYFZSA-N 405.385 1.892 30 10 HDEE COC(=O)[C@H](Cc1ccccc1O)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1167464540 IDLUUKAVYLTOTA-KRWDZBQOSA-N 416.455 1.079 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CCO2 1180088313 KYNZZOIVNQTNDG-UXHICEINSA-N 421.519 1.697 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1=O 1189746184 XONCTLGEJKCIPQ-UHFFFAOYSA-N 417.636 1.473 30 10 HDEE C=CCN(C(=O)Nc1ccc([C@@]2(C)NC(=O)N(C)C2=O)cc1)[C@H]1CCS(=O)(=O)C1 1206852162 YUXNJUQEBILALQ-HNAYVOBHSA-N 420.491 1.290 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN(C(=O)Nc2ccc(Br)c(C#N)n2)CC1 1208089249 CXOFFQJGUBSNEJ-LBPRGKRZSA-N 423.315 1.780 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(N3CCN(CC)CC3)c(F)c2)C1 1221805570 ZZTHCPJCLHMVLV-IBGZPJMESA-N 401.530 1.864 30 10 HDEE COc1cc(CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)ccc1C#N 1227900920 FQWFIMDHWYYIER-QGZVFWFLSA-N 423.539 1.321 30 10 HDEE C[C@]1(C#N)CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)CCO1 1228071471 NBRBOKPVQIHZOD-HNNXBMFYSA-N 421.306 1.596 30 10 HDEE COCCOc1cn(-c2ccccc2)nc1C(=O)N1CCC(C#N)(C(=O)OC)CC1 1272409115 RGZPCAHJZURNHG-UHFFFAOYSA-N 412.446 1.816 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1OCC=C 1286377609 ZHMCDCQXEBGWTM-QGZVFWFLSA-N 400.504 1.863 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)(F)F 1286409889 VCZQQQLXIALNLY-UHFFFAOYSA-N 407.371 1.759 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1286410141 WWBYYNQUGQIHOK-KRWDZBQOSA-N 417.517 1.698 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCC(=O)N(C)C 1286456695 SSQMICPIBQRFGO-UHFFFAOYSA-N 407.453 1.992 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](CCC)OC)CC1 1286489716 DJGZAVBIKFHHOG-GOSISDBHSA-N 413.526 1.460 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286496165 OOSSVHVYFHOYPN-ZBFHGGJFSA-N 418.567 1.925 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286530224 JAOAGIAELXEMCT-QGZVFWFLSA-N 423.315 1.282 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1286612670 WTEPNZOLGAILTC-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCCOCC1 1286813702 ABZNWNCZLJYYND-UHFFFAOYSA-N 413.544 1.024 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1286967411 ZXXRJSXMUPCHHU-CQSZACIVSA-N 415.498 1.764 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H]3OCC(=O)N(CC)[C@@H]3c3nccn3C)cc21 1289394066 JKPNTTHBODKHEE-OALUTQOASA-N 408.462 1.883 30 10 HDEE Cc1nnc(CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)s1 1290681711 NTEJKJVCNVSWPU-TZMCWYRMSA-N 423.568 1.569 30 10 HDEE C[C@@H](CN1CCCC1=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1292474774 NCSKKJVBCMGXOO-LBPRGKRZSA-N 405.296 1.884 30 10 HDEE CC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1293393420 XVLOMKZVJOFVKK-UDJKBAMHSA-N 422.493 1.888 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1293523979 QYCCCIUPNVHFQL-IUODEOHRSA-N 424.552 1.733 30 10 HDEE COC(=O)c1ccccc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1296821132 GHLDBZOXAMFGHA-GOSISDBHSA-N 420.425 1.866 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H]3CO)cc2)cn1 1297663234 XVCQTYOLSZEDIV-KRWDZBQOSA-N 400.460 1.280 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1=O 1298873647 GBGMEPFXOIMBGU-PMACEKPBSA-N 400.433 1.928 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1299071406 DVVARDWJSQENRT-VGSWGCGISA-N 408.506 1.940 30 10 HDEE COC(=O)[C@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)c1ccnn1C 1299859963 GNHNCAHZNDBABO-QGZVFWFLSA-N 413.283 1.672 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CN(C)C(C)C)CC1 1300380774 ICMHBDACPPNDQH-KRWDZBQOSA-N 424.615 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1NC(=O)CC1(C)C 1300523043 UYBYHTPAXDPPPI-IBGZPJMESA-N 419.485 1.704 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2C)n1C[C@]1(O)CCS(=O)(=O)C1 1300629198 NSRUZZFBRNFCQR-HXUWFJFHSA-N 402.520 1.186 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(C)C)C(=O)C1 1300755392 RPFCCHORLLPYBJ-UHFFFAOYSA-N 401.540 1.350 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@H](OC)[C@H](OC)C1 1300892914 WJJJAVQBAVMROX-MIALQEHNSA-N 419.526 1.232 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](C(N)=O)C1 1301245343 APGYITCYAMFGOT-INIZCTEOSA-N 413.478 1.968 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1301270975 SVOSZRVJSNZMAF-UHFFFAOYSA-N 421.523 1.620 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N(C)CC(=O)NC(C)C 1301502068 BFJBYHWMMJVJAG-UHFFFAOYSA-N 418.929 1.785 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCOCC2)C1 1301554296 ZIRGFGQNJXSAIO-QZTJIDSGSA-N 400.527 1.786 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccccc2OC)cc1 1301764179 KKAWOWFUUWXOLS-NRFANRHFSA-N 418.515 1.883 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CC(F)(F)CO1 1302286424 ICQSYNDSBWSRRF-LOUJCGABSA-N 415.416 1.868 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@H]1CCC[C@@H]1C#N 1307994874 YLVWJXUKRLODTO-MOPGFXCFSA-N 404.536 1.285 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 1308149981 USQYHULBLPUZRP-GDJIYFAZSA-N 408.568 1.779 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(C)ccc1Br 1309080305 ZBXFGLOJSPQWSE-CQSZACIVSA-N 420.350 1.710 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc1C#N 1311195952 AYTWQKHBQGJPMP-UHFFFAOYSA-N 414.510 1.902 30 10 HDEE CNC(=O)CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C#N)o1 1315039707 RPOAWTWLOHAMDN-UHFFFAOYSA-N 418.461 1.602 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1323715963 RZNZNVQOKFUVBU-CVEARBPZSA-N 420.487 1.427 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cn1 1348740584 DUCKBMNZQDOGLZ-UHFFFAOYSA-N 420.878 1.809 30 10 HDEE Cc1ccc(C#N)cc1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1354261705 NLSDIIPANVJDPF-UHFFFAOYSA-N 405.414 1.999 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1358948366 BAMLORBGDIVRHY-IBGZPJMESA-N 405.458 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCC)nc1 1358992771 WNHYRQYWUYSCHI-GOSISDBHSA-N 406.490 1.924 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCn2ccnc2C1 1359026557 BWTHTVGQZKVKIY-LJQANCHMSA-N 422.537 1.685 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccco2)N(C)C)CC1 1359035445 UMLHKEJQUHZHBQ-OALUTQOASA-N 412.538 1.823 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359049765 VUUWCQDYZKVRRA-BBWFWOEESA-N 421.567 1.331 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(O)CC(OCC)C1 1359064347 QPAWIOWSUAVQBT-HDUNJHBGSA-N 406.527 1.924 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(C)C)CC1 1359333063 NENZGWSWAVDJPB-QGZVFWFLSA-N 411.572 1.303 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1359336047 CMSRZFMETSZKOA-AWEZNQCLSA-N 410.544 1.612 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1)N1CCOCC1 1360540862 GJRIPVBUOFPOJH-ZHRRBRCNSA-N 423.521 1.239 30 10 HDEE N#CCc1ccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)cc1 1452274738 PBOZUZSODFPUOV-UHFFFAOYSA-N 419.528 1.828 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1CCCN1CC(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1453477359 GIXDCVKJICNSPP-OLZOCXBDSA-N 414.478 1.349 30 10 HDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)c1ccccc1 1459211624 PVSFFYLNNRAVCJ-CQSZACIVSA-N 412.446 1.101 30 10 HDEE CN(CC(=O)Nc1ccc(Br)cn1)C[C@H](O)CC1(C#N)CCOCC1 1459464113 DSVIKHRDOHHDLP-CQSZACIVSA-N 411.300 1.786 30 10 HDEE C#CCN(CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CCS(=O)(=O)C1 1459741790 NDAQJYCXJPRPKJ-ZDUSSCGKSA-N 423.560 1.177 30 10 HDEE CC(C)[C@@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1nc(-c2nc[nH]n2)no1 1459907218 BQAAQBKKFCCHJT-OAHLLOKOSA-N 405.418 1.441 30 10 HDEE COC(=O)[C@H](CCC(=O)NCc1nc(C#N)cs1)NC(=O)OCc1ccccc1 1463084023 IDVJSXKQCAJDIO-HNNXBMFYSA-N 416.459 1.879 30 10 HDEE C[S@](=O)CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1463297835 CWLQMLZLPMAIBU-VWLOTQADSA-N 409.455 1.262 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1464968700 MKLLBNXUMWMTSM-XHWCBRGXSA-N 405.520 1.905 30 10 HDEE Cn1c(CO)nc2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccc21 1467705824 DKYSPCJQSCHGAJ-QGZVFWFLSA-N 403.442 1.468 30 10 HDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1470220382 DBOJVERVJONEOG-INIZCTEOSA-N 421.523 1.246 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1475153399 VFFUJBYIMNITAR-BZSNNMDCSA-N 412.508 1.126 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 1478284698 NIEHIOBIFKUKFC-KDOFPFPSSA-N 401.529 1.819 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCOc2cccc(C(F)(F)F)n2)CC1 1478349815 AVZXHDCEDARAJQ-UHFFFAOYSA-N 400.357 1.968 30 10 HDEE Cc1nc(C)c(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)s1 1492656591 DCSFYWREROHQLD-CQSZACIVSA-N 401.496 1.365 30 10 HDEE CCCN(CC)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1500778220 GPNJVWVGEONNDH-LJQANCHMSA-N 422.537 1.762 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCCCO 1503437810 JKHLQWILZQCNOY-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1COCCO1 1505083206 UZZBFCJVDDFKQL-BZSNNMDCSA-N 405.499 1.548 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1507543119 OCLHDDCOAGGYLX-LLVKDONJSA-N 401.521 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1507546451 KHAKYOAKKYHYCD-GJZGRUSLSA-N 414.514 1.985 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCC(=O)N(C)C)c1 1507551611 FZDKILNFHGIFKI-UHFFFAOYSA-N 408.506 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCc2nccn2C1 1507659702 CYHHIDJJPDYTJW-RBUKOAKNSA-N 410.522 1.924 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1507866050 XQQSBCZFMUGSSC-QGZVFWFLSA-N 423.945 2.000 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508159379 NDYOZDQDUQBNGI-FZKQIMNGSA-N 406.512 1.179 30 10 HDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510052479 NBVQGCWOHCUXFZ-CABCVRRESA-N 411.510 1.657 30 10 HDEE CCOC1CC(O)(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)C1 1516401972 MHUIHLJBIJWOPU-WUJZJPHMSA-N 418.523 1.293 30 10 HDEE CN1C[C@@](C)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)C1=O 1517406293 MKBZMEZUXPEHSJ-XCLFUZPHSA-N 416.432 1.354 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1519065656 JAUBMYLGIFADFO-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc(C(=O)N2CCOCC2)cc1 1519190385 GKPGRJDDEAICSC-MRXNPFEDSA-N 420.473 1.172 30 10 HDEE C#CCOCCNC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1534761414 CLLITOJSDIOVSP-FQEVSTJZSA-N 412.483 1.100 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCCS(=O)(=O)c1cccc(Br)c1 1535552435 DTVCSSKHRLHIJO-CQSZACIVSA-N 400.294 1.864 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@]12C)C(=O)OCC 1536578792 MCEDAWBGOHGLHN-KSFYIVLOSA-N 413.474 2.000 30 10 HDEE N#CC[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C(F)(F)F 1538301485 ADHFKZKHJYYPQX-AWEZNQCLSA-N 406.382 1.972 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)C(=O)c1ccc(Br)o1 1538379981 MHWFTEQOHMFBOL-UHFFFAOYSA-N 413.268 1.918 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1539029921 MHDHVIUWXDPGBV-QGZVFWFLSA-N 422.489 1.436 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)OC[C@H]2C1 1539132907 SEEQAHCEFKIKBL-CQSZACIVSA-N 414.491 1.324 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539336765 FPYKIXWFHXUSAC-GOSISDBHSA-N 422.537 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(N)=O)CCCC1 1539337394 IGTPUFGEYDNOOX-ROUUACIJSA-N 413.522 1.511 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539371423 BKBBETDLGKQXBO-GOSISDBHSA-N 413.497 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[S@](=O)C(C)(C)C)CC1 1539490456 VSZGVGISGUNGQX-LJAQVGFWSA-N 423.583 1.328 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539916346 KFHJXYMGSSHIKV-CABCVRRESA-N 409.556 1.449 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CC(F)C1 1540035439 CHYFZOYYXBFWRN-PCKAHOCUSA-N 400.520 1.957 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21)C1CC1 1540094491 GUPYAYJIJWPQAJ-LSDHHAIUSA-N 419.555 1.817 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(N(C)C)CCSC2)C1 1540891695 YGPJTXNYNMKZPK-GUXCAODWSA-N 420.583 1.448 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nnc4n3CCCC4)C2=O)cc1 1540997908 RTLAAXMFYOEMTO-HNNXBMFYSA-N 407.434 1.007 30 10 HDEE O=C(Cc1ccccc1OCc1ccncc1)NCCN/C(O)=C1/N=CC=CC1=O 1542978240 KSPLCZIZGZRXQV-DQRAZIAOSA-N 406.442 1.846 30 10 HDEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1543100289 MFTKPVOVCNNEEB-MRXNPFEDSA-N 422.518 1.921 30 10 HDEE C#CCN(C(=O)C[C@H]1CC(=O)NC1=O)[C@@H]1CCOc2ccc(Br)cc21 1543685734 MTKSFUSFPLQFNI-BXUZGUMPSA-N 405.248 1.787 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1543734078 CZRODLNNYGAXRA-VGWMRTNUSA-N 406.483 1.825 30 10 HDEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1544520213 AMPOCHMMJWADKI-VQIMIIECSA-N 424.546 1.354 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H](CO)CN(C)C)nnc1-c1ccc(Cl)cc1 1556504263 QFDGZAFYIMFMIE-OAHLLOKOSA-N 409.943 1.915 30 10 HDEE CC(C)OCCOC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 1556997679 TUVWQRHSKZDABR-UHFFFAOYSA-N 409.508 1.158 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OC(F)F 1561149004 DSYLGYKSJWFWLD-NSHDSACASA-N 413.851 1.752 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1564772246 YRUIKEYKUJVNBE-CVEARBPZSA-N 417.890 1.839 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3cccc(OC)c3)cn2)CC1 1568701061 CYWSVEJEVSNWIE-UHFFFAOYSA-N 408.458 1.390 30 10 HDEE C=CCN1CCC(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1585284214 IXMWBAIXDNLSHV-UHFFFAOYSA-N 407.474 1.597 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1587799153 ZOKFIWQQVPLIIA-BBWFWOEESA-N 403.483 1.446 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1588014056 IOJLCTUBRXCFGL-YJBOKZPZSA-N 413.478 1.625 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588029284 FNVSCBDPIWWKFT-JKSUJKDBSA-N 409.556 1.333 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2cccc(NS(N)(=O)=O)c2)CC1 1588155270 WRRBXKPAOOAWPW-UHFFFAOYSA-N 422.507 1.891 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCOCC1 1588170604 KFSSWDRUWYYDDM-QZTJIDSGSA-N 400.523 1.811 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCN(C)C 1588205394 KIUDNUIIFWTENC-UHFFFAOYSA-N 409.490 1.715 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ccc(NC(N)=O)cc1 1588659474 JOUTUSKIWRLVOR-UHFFFAOYSA-N 419.489 1.889 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1)C1CC1 1595021020 QJKOJOWYBFACRS-OCCSQVGLSA-N 417.626 1.892 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 1596609588 APWYVVIJEVLLPQ-UHFFFAOYSA-N 400.464 1.702 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCOC2)n1CC(=O)N1CCOCC1 1617868306 ACGLVAODJKJCCQ-LJQANCHMSA-N 424.505 1.539 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCCO[C@H]1CCOC1 1617907649 HBWBOQNMCSIFFE-RBUKOAKNSA-N 424.505 1.933 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1)OC 1619595888 CILDJDCENOPUAE-MOPGFXCFSA-N 412.494 1.583 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619620438 SPQMHNMZDOUZNM-BDXSIMOUSA-N 412.469 1.957 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCCOC(F)F)cc1 1620350401 IWVIPLNJHLIELC-QGZVFWFLSA-N 418.448 1.967 30 10 HDEE C=C(C)COCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1622717064 GNWDJOXIQQATHN-BZUAXINKSA-N 416.540 1.366 30 10 HDEE COC(=O)C[C@]1(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCOC1 1624795254 XXVCPQGLXZKYSR-OAQYLSRUSA-N 403.284 1.746 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)OC(C)(C)C 1626290596 FXRRHJUDKCSDRT-HNNXBMFYSA-N 423.535 1.984 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCCN(O)C1=O 1628547481 FCRSYOZAKCFSQB-GFCCVEGCSA-N 405.270 1.271 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2=O)cc1 1628663117 XGMBGLUKVDLKAB-AUSIDOKSSA-N 420.469 1.826 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2C(=O)CNC2=O)c1 1629801983 ZONOQUMLWBONPF-OAHLLOKOSA-N 400.435 1.988 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](O)CC(C)(C)C1 1632224739 IONLOPRRDUXLAH-ZBFHGGJFSA-N 407.536 1.903 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1633176011 YNSOQOKTPYNYLT-OAHLLOKOSA-N 402.463 1.809 30 10 HDEE CN1CCn2c(CNC(=O)c3occc3COc3cccc(C#N)c3)nnc2C1=O 1633646844 OGHKKCHZRXRRTB-UHFFFAOYSA-N 406.402 1.337 30 10 HDEE CN1Cc2ccccc2[C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1634919344 YTVIRNDHLKODPA-VQTJNVASSA-N 417.469 1.672 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)C1=O 1635210043 ROMSRUJQUFKUHV-FGSXEWAUSA-N 415.490 1.394 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2cnc(Cl)c(Cl)c2)n1 1635721298 IGVAXYCBVQJZLO-UHFFFAOYSA-N 424.288 1.623 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nn(-c2ccccc2F)cc1O 1636270449 GZNRTTUURFVNCO-ZDUSSCGKSA-N 407.409 1.730 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCC4(CC3)C[C@@H](O)CNC4=O)o2)cc1 1636317915 SXJKXJVPTMULSH-MRXNPFEDSA-N 409.442 1.833 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CNC(=O)c1c[nH]c3ccccc3c1=O)C2 1636719518 DGJMPHJIVRNGLV-UHFFFAOYSA-N 407.455 1.358 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1637389320 GABGLCIIIZFOQC-QOQLHOOGSA-N 422.522 1.967 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCc2cc(OC)ccc21)c1cc[nH]n1 1638150098 FQUJWQAQSIEAAX-HNNXBMFYSA-N 414.462 1.938 30 10 HDEE Cc1cnc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1638673765 PVELVKRCVJPSDR-UHFFFAOYSA-N 401.492 1.700 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)Cc3ccon3)CC2)c(Br)c1 1639554713 CQPSSMDJNSDXBB-UHFFFAOYSA-N 412.269 1.356 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)cc1 1640000988 PQCHLVKKIDBRCR-UHFFFAOYSA-N 402.461 1.102 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 1641568847 IJJCMWMKJZAEMC-LVIWNVNYSA-N 416.522 1.311 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1643984193 JOCBIBSWNGHYMZ-ZWKOTPCHSA-N 417.579 1.694 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1ccccc1F 1644831199 NUPVNSIPWHCVQD-OAHLLOKOSA-N 419.478 1.364 30 10 HDEE COC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1645438035 CQDONDPGNLJXKT-MRXNPFEDSA-N 404.467 1.261 30 10 HDEE CN(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)S(=O)(=O)c1ccccc1 1646095061 FMDHWDSHIHGAQG-KRWDZBQOSA-N 413.503 1.677 30 10 HDEE C[C@H]1Oc2c(cccc2C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)NC1=O 1649040875 JIGWGAZBZVLMFC-GFCCVEGCSA-N 409.398 1.924 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)C1=O 1652243648 BEZFAGVXFRXXSL-NEPJUHHUSA-N 406.405 1.710 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C[C@H](O)COc1ccccc1C#N)C2 1653594224 GIBAALUGQCKGGN-SFHVURJKSA-N 415.515 1.607 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1)C(=O)OC 1655131365 BIOGPJKZDXCFNY-CQSZACIVSA-N 405.831 1.876 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1665489251 NKBGVXGQVKWIFI-ZWKOTPCHSA-N 405.495 1.415 30 10 HDEE C=CC[C@H]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)C1 1668023291 CGOSTPARCCELMD-AWEZNQCLSA-N 413.478 2.000 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)NC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1678938311 APJPOYAUPCIEBT-UHFFFAOYSA-N 416.482 1.703 30 10 HDEE CN1C(=O)c2ccccc2[C@H]1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1680779142 SHDVOZQQOPRMRC-WOJBJXKFSA-N 417.469 1.785 30 10 HDEE C#C[C@@H](NC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1684037271 WHVWIUWEHXKUSL-WOJBJXKFSA-N 415.490 1.879 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cc3ccccc3s2)CC1 1686131545 YRRZDTWEGIQOOV-AWEZNQCLSA-N 406.533 1.757 30 10 HDEE C#C[C@H](NC(=O)NCC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 1686919660 JYEIUKCQNZQZPZ-AWEZNQCLSA-N 415.309 1.362 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ncccc1N(C)C 1689848347 SZRSKAHTBHEHJK-CQSZACIVSA-N 407.478 1.973 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOCC1(C)C 1689953831 ARDKLWHIFOEBIE-UHFFFAOYSA-N 421.509 1.101 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)CCOC)[C@@H]1CCS(=O)(=O)C1 1689986203 KQIAGZWWEWWCHC-MRXNPFEDSA-N 419.551 1.963 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@H](C)O)cc1 1690000161 UELXFWRTEWGQLN-CVEARBPZSA-N 415.519 1.063 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N1CCCC1 1690015487 OAGWFRSALUGKHI-MSOLQXFVSA-N 406.490 1.732 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1690075790 UXWHQTOWNRVZID-QGZVFWFLSA-N 417.535 1.522 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1CCOCC1 1690101216 SGKONWHZLWVQMB-UHFFFAOYSA-N 401.467 1.518 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC(F)(F)F)CC1 1690109471 SKZJLEGMSBXEJC-UHFFFAOYSA-N 414.432 1.196 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 1690236049 HUXCAKBIGUTTQI-DLBZAZTESA-N 418.542 1.360 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690506461 OOZDQDGMBYXPFQ-INIZCTEOSA-N 412.498 1.368 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690661629 BDJOMTAXTFANJZ-ZBFHGGJFSA-N 414.897 1.616 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC(C)(C)C1 1690665491 GFVILWWWVGOSKN-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncccc1N(C)C 1693551902 DLPLICPMSSCGMB-UHFFFAOYSA-N 403.494 1.689 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1705532708 DUHBFZOIBRBMKD-MSOLQXFVSA-N 411.510 1.361 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1705553727 WGAOSGIVWGYQQG-ROUUACIJSA-N 402.543 1.436 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(NC(=O)COC)CC1 1705724585 ZOFDWTGXAOCSRX-UHFFFAOYSA-N 416.482 1.313 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705818811 VTBSYKXQVJMVNF-QGZVFWFLSA-N 415.542 1.922 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705830506 RDMPAXVMIVTIJI-RTBURBONSA-N 416.526 1.867 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](OC)C(C)(C)C 1705844087 VOMSNULMNCSXKF-HUUCEWRRSA-N 415.560 1.294 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCC(=O)NC 1705900150 RMZOOGGZUHYOSY-UHFFFAOYSA-N 409.494 1.311 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705902739 MMBPKXHUODISEB-IBGZPJMESA-N 416.489 1.296 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC=C)C1 1705922117 GNGNIVWZCDTCKF-INIZCTEOSA-N 406.512 1.061 30 10 HDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1710793892 XBTKSAGCNGXJQR-GOSISDBHSA-N 409.494 1.847 30 10 HDEE CN1CCN(CCn2c([C@H]3CCCO3)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1711282148 XHGAFDPIIYNXRB-OXQOHEQNSA-N 405.522 1.598 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1722373920 OIDARFJUUOVTTB-RTWAWAEBSA-N 402.495 1.197 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1722426927 OPWYESVUZXPVMG-UHFFFAOYSA-N 400.874 1.180 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CCOCC2)CC1 1722437501 NUTZHCNBRTXKRI-IBGZPJMESA-N 402.587 1.590 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C(C)(C)O)cc2)CC1 1722437686 VWDNENZFRHQWGY-IBGZPJMESA-N 422.533 1.260 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1722458707 QVIWMHOVZXTQMA-MGPUTAFESA-N 419.551 1.370 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1722554614 FOASUXLODQVJIX-MGPQQGTHSA-N 404.920 1.173 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCCOC)CC1 1722566746 YEMOWAPXEJTWDK-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CCN1CCOCC1 1722700094 WLMMYTAVQVLTGQ-UHFFFAOYSA-N 416.501 1.079 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722702916 SZNNGZTUCBHASE-ZWKOTPCHSA-N 413.526 1.447 30 10 HDEE CC[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1727256887 GZFLKURUWKOJIN-KRWDZBQOSA-N 419.493 1.753 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1730956976 SZRXPCWJHTWHJS-DLRJPAPCSA-N 419.526 1.672 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCCO[C@@H]2CCOC2)cc1 1731184828 VTTVCXWZFKUPOQ-GOSISDBHSA-N 415.519 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](F)COC)CC1 1740704487 OWOPKVLGVOUPDC-KRWDZBQOSA-N 400.458 1.290 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740956092 GRHFBHDOIBUGLX-KRWDZBQOSA-N 417.535 1.433 30 10 HDEE CC[C@H](C)c1nnc(N(C)CC(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1743580251 GLBMVANGLSZIHT-STGLLQLASA-N 417.514 1.279 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nncn1C 1748883091 RAVGJWIZMGBPOR-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(C(=O)COC)CC1 1749135006 BAWYFGHKFJJMED-PXNSSMCTSA-N 403.527 1.507 30 10 HDEE COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1749853848 LDRQJQUFJABUTJ-MRXNPFEDSA-N 400.487 1.016 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccn1C(F)F 1750006959 JQUQTFXKDONHEA-QWHCGFSZSA-N 411.413 1.371 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CC[C@](F)(C#N)C1 1750043063 QZVFSITVIVOJBC-FQEVSTJZSA-N 424.440 1.646 30 10 HDEE O=C1CC[C@@H](c2nnc(N3CCCCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)N1 1750415759 DMJVEEJJZQIKQO-STGLLQLASA-N 413.482 1.136 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@]3(CCO[C@@H]3C)C2)n1Cc1ccc(C#N)o1 1750974154 GEVNSYGAGQKUEX-VLIAUNLRSA-N 414.466 1.313 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CCC1 1760110384 CVYNRRPDLKZVLM-QYSRSOONSA-N 403.508 1.765 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCCn1cc(CO)nn1 1760123832 LUBFTULKQBGTIE-OAHLLOKOSA-N 413.457 1.628 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1760148903 POCVRYDCVJJTFC-QGZVFWFLSA-N 419.493 1.297 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Cl)n1CCS(=O)(=O)NC(C)C 1760199574 ACIPUPARQFBIRH-UHFFFAOYSA-N 419.938 1.999 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2Cn2cccn2)CC1 1760263687 LFBCBLDQSFXGHX-UHFFFAOYSA-N 419.533 1.863 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CC=CCO2)CC1 1760268202 NNSFPBBTHVUBBM-SFHVURJKSA-N 406.490 1.651 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760306109 BXEUGGAFXJEPIG-MCIONIFRSA-N 410.316 1.938 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760356964 ALWJBAPTYAVMMX-MOPGFXCFSA-N 416.526 1.867 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)COC)CC1 1760426156 HPQAJIHJGXAZRG-UHFFFAOYSA-N 401.515 1.766 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC([C@H]2CCOC2)CC1 1760514293 ANYPQZXMYWNGCX-KRWDZBQOSA-N 416.526 1.069 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)C1 1760517155 FEMKMMUKCNHSQI-CQSZACIVSA-N 403.508 1.497 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1760550532 AMIRUTQWNUUMQY-MRXNPFEDSA-N 411.572 1.566 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1761551848 QMDNAXDQTLACDW-KRWDZBQOSA-N 410.478 1.480 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765182292 VZGGUAQONQDGOZ-UFOSLELVSA-N 408.466 1.498 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2Cc2ccc(C#N)o2)cn1 1767454289 YQDDAXRDBXUWHO-UHFFFAOYSA-N 408.466 1.673 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1)[C@H]1CCOC1 1768575654 AEEGSMWKZUYDKO-LAUBAEHRSA-N 413.478 1.759 30 10 HDEE CO[C@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769582590 KYZAAFUJZPMXLE-CXAGYDPISA-N 401.540 1.845 30 10 HDEE COCCN(C)CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1769780696 OWOXKWJTMIIODJ-RBUKOAKNSA-N 417.558 1.274 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCc2nccn2C1 1769995769 SPKVTTIQUCAIQU-GQIGUUNPSA-N 417.489 1.903 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@@H]2CCOC2)c1 1770346908 KVZJYVAJQWUZPE-MOPGFXCFSA-N 413.478 1.878 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1770786985 QOIIUYRWDNMSGY-MRXNPFEDSA-N 409.487 1.672 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1771349625 VZPUBFPTYUROSD-UHFFFAOYSA-N 412.475 1.866 30 10 HDEE N#C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1849709418 VJBUKMRHLIAEJK-FZMZJTMJSA-N 415.393 1.757 30 10 HDEE COc1ccc(C(=O)COCCN2CCN(c3ccc(C#N)cn3)CC2)cc1OC 1851856752 CAMXYVNUMCKZBG-UHFFFAOYSA-N 410.474 1.992 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CC1=O 1853677125 FBYZGXZMMUNCPX-MSOLQXFVSA-N 419.547 1.723 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(Cn4ccnc4C)cc3)C(=O)C2)C1 1853728882 CTCQJLAYNQLRKA-NRFANRHFSA-N 407.518 1.785 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)C1 1853734908 MAMFQCCIJOPYLP-IRXDYDNUSA-N 404.511 1.997 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1=O 1853896703 UMLGRBFICLWHPU-UHFFFAOYSA-N 406.382 1.911 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)CCn2ccnc2C)C1=O 1854301826 KRBUXRCJJZOSCK-ROUUACIJSA-N 401.511 1.208 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)C1 1854936097 XNQSCIZHSCQQAS-SJLPKXTDSA-N 413.526 1.129 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)c3cn(-c4ccncc4)nn3)C1=O)CC2 1855022970 MMQAMIAYERRFPP-YJBOKZPZSA-N 405.462 1.419 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)c2ccccc2S(=O)(=O)C(F)F)C1 1855427021 JDPZVRYCQZHILS-ZDUSSCGKSA-N 413.446 1.907 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@@H](Oc3ccncc3Br)C2)CC1=O 1856385474 XVAPDNIXHHJRTN-QWHCGFSZSA-N 407.268 1.586 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)CN3C(=O)COc4ccccc43)C2=O)CC1 1856537645 ORQXDFGHQRNVBU-SFHVURJKSA-N 410.474 1.555 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)CCC#N)C2=O)cc1 1856552581 ILRAUCQZXZPADZ-KRWDZBQOSA-N 406.508 1.304 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(c4cnco4)CC3)CC2=O)CC1=O 1856962132 AKXCARKHWKYXFA-NVXWUHKLSA-N 400.479 1.264 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3ccc(-n4cccn4)nn3)C2=O)CC1 1857256827 LSEMQWAYYDUOPN-GOSISDBHSA-N 407.478 1.809 30 10 HDEE CN(Cc1cnn(C)c1)[C@@H]1CCN([C@H]2CCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1857275610 JOYFJLMNVPOIPT-UXHICEINSA-N 406.490 1.239 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(Cc2ccccc2Cl)CC1 1861175269 YRTAMGNQPOKICO-SFHVURJKSA-N 420.941 1.605 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861204595 DZZPFHNGKWZFNE-SJLPKXTDSA-N 420.941 1.605 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC)cn1CCc1cnc[nH]1 1870693008 ZNRAADOPLCSAMP-UHFFFAOYSA-N 400.479 1.930 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889007154 AOKWUOPNVIGLJV-WOJBJXKFSA-N 400.548 1.691 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(N)=S)C1 1914882094 MRVIOFUKKIVSHP-AWEZNQCLSA-N 418.382 1.697 30 10 HDEE C#CCN(C1CCOCC1)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1965777081 HOYIEMSLKVMWJQ-UHFFFAOYSA-N 404.488 1.507 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985145112 PVPPMPPTYKGRFE-GUDVDZBRSA-N 414.506 1.905 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025895080 HBCBXNKHOZXEMX-CQSZACIVSA-N 421.303 1.859 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 2174789276 OQYYVXYBRWLJKO-OAHLLOKOSA-N 400.545 1.493 30 10 HDEE C=CC[C@](C)(CO)CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2201829657 JXWFGDTVWWCZFL-KDOFPFPSSA-N 404.529 1.102 30 10 HDEE CC(C)(C)OC(=O)N1CCOCC[C@@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243975992 XMZLXGNCULSQQY-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248053802 FODMKKCFOZJFFA-CHWSQXEVSA-N 420.319 1.807 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCCC#CBr)[C@H]1OC 2250008734 PJLQDWHQQMWMIO-UPJWGTAASA-N 405.289 1.498 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)O)N(C(=O)NCCC#CBr)C1 2258963396 SFYDQMHSMHMCRP-VXGBXAGGSA-N 418.288 1.884 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCNC[C@]3(C)CO)c2Cl)OC1(C)C 2281935138 WALNCPWCNXCKAG-QGZVFWFLSA-N 400.737 1.497 30 10 HDEE CC1(C)[C@@H](CN)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334218 YUDGQQXTDKHGIG-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CN(C)CCC1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282415530 ITUNMHULZAYLDK-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282490434 JSMMWHLZPDZXOJ-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CN([C@@H]1CCOC[C@H]1F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504874 VTEJOVYSZASPFT-CHWSQXEVSA-N 405.322 1.795 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CCCSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282507131 CCPBCJWQJITOKU-GFCCVEGCSA-N 401.363 1.202 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CN)C3CCCC3)c2)OC1(C)C 2282853051 XXSBBZNHZZPQCI-CQSZACIVSA-N 400.375 1.843 30 10 HDEE CCC1(N)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282865417 TXWRCVXZQWOXOL-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE C[C@@H]1CNC[C@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866713 NVSVGGZEVMVTGX-OCCSQVGLSA-N 400.375 1.322 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282869368 BSEFKSHEPWFHAG-QWHCGFSZSA-N 401.359 1.626 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NOCCC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284408206 TYLSLTFIHZWLHB-UHFFFAOYSA-N 405.303 1.349 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2(CC(=O)O)CC2)OC1(C)C 2284409474 JOHCXWCOIBOGMK-UHFFFAOYSA-N 401.315 1.474 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@]4(CN)C3)cc2Cl)OC1(C)C 2288265872 CEQSPOHXQMMFHC-HWPZZCPQSA-N 418.777 1.670 30 10 HDEE COc1cccc(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 2329012583 KYWNGQWCFJONRF-CQSZACIVSA-N 416.507 1.471 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1 2330421774 UDXMPCFUEFQLHD-UHFFFAOYSA-N 421.567 1.064 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365210220 HPNNOOICOPGQND-QCUYGVNKSA-N 402.557 1.585 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCN(C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367792526 PHWXKFHODWIJDF-HZPDHXFCSA-N 400.541 1.307 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367794842 BOWAJYKXPPWWNP-ARFHVFGLSA-N 401.525 1.590 30 10 HDEE COc1cccc([C@@H]2c3c(nc(N4CCC(C)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1O 72445464 ZOSJJWZVAMVIKR-ZFWWWQNUSA-N 409.446 1.944 30 10 HDEE COc1ccc(CN2C(=NC(=O)CC#N)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254592877 KSSVIMBTFJSSEH-DOMZBBRYSA-N 409.489 1.214 30 10 HDEE COc1ccc(CN2C(=NC(=O)CCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254867861 MOCAGCLXZQXHKP-KGLIPLIRSA-N 412.489 1.157 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](CO)OC[C@@H](CO)OC(CO)CO 263584324 PVPULAXNWFILAK-VQTJNVASSA-N 422.559 1.559 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C(CC)(CC)C3)cc2C1=O 428843795 WKKKHFZCTYESEF-UHFFFAOYSA-N 404.488 1.898 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cc(C#N)cn1C 433504533 XPRULLZEWNKYCC-UHFFFAOYSA-N 417.491 1.094 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@H]1C 460374020 JFDBNKPAPNFJBD-CQSZACIVSA-N 402.524 1.903 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 462091947 KRCSKBYIBWUDQG-INIZCTEOSA-N 419.449 1.185 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 486002053 KHHUHMKONXFZLN-IBGZPJMESA-N 406.442 1.214 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 508490644 CUYDREATXPXOQC-UHFFFAOYSA-N 400.531 1.275 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN2CCOC[C@H]2C1 508854458 CQSXVMNPCDFYAU-GOSISDBHSA-N 410.526 1.159 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(F)c1 508921292 LGQQAGUSGYZHJT-MRXNPFEDSA-N 409.487 1.573 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 510572310 TUHDFHBNSPZHCO-INIZCTEOSA-N 415.471 1.525 30 10 HDEE Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)cc1S(=O)(=O)NCC#N 519486592 QOJKLWPYHGLMGB-IBGZPJMESA-N 414.531 1.700 30 10 HDEE C[C@H](C(=O)Nc1cc(Br)ccc1N1CCOCC1)n1cnc(C#N)n1 540602128 GIQIDHAQCHCDHH-LLVKDONJSA-N 405.256 1.949 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)cc1 545463212 SSNRPFGKKQIWNR-IBGZPJMESA-N 403.486 1.959 30 10 HDEE CC(=O)N[C@H]1CCCN(C(=O)Cn2cc(C#N)c(=O)c3cc(C)cc(Cl)c32)C1 548950401 LGFMJFAVOTXBLM-HNNXBMFYSA-N 400.866 1.962 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[S@@](=O)C(CC)(CC)C1 549698587 IRVPCQRJRDZSLI-RMKBEBRYSA-N 417.601 1.592 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 565975684 AWLDTZIFZVKCHT-QGZVFWFLSA-N 405.458 1.752 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2nc(CC)ns2)CC1 567282764 KICHQWZUSZRWND-AWEZNQCLSA-N 405.528 1.683 30 10 HDEE C=CCn1c(CN(C)S(=O)(=O)c2ccc(C)cc2)nnc1N1CCN(CC)CC1 567795720 KJAKGUZEAXPVPY-UHFFFAOYSA-N 418.567 1.735 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H]2[C@H]3[C@H]2[C@H]2C=C[C@H]3[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]32)CCO1 574491272 LNRDKWOIUUXROB-QZBQPBHFSA-N 417.465 1.217 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 582741295 AIZNCDOGCFJPAJ-SJLPKXTDSA-N 422.526 1.748 30 10 HDEE CN(Cc1nc2c(s1)CCCC2)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 589440610 QPHANJZLMHZWOT-UHFFFAOYSA-N 404.517 1.830 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 604000398 WEDSAALYMWYBQU-UHFFFAOYSA-N 418.478 1.783 30 10 HDEE COc1ccc(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2cccnc12 731851074 GDLYYUGHLZUCTE-ZCXUNETKSA-N 402.432 1.048 30 10 HDEE COCCOc1cc([N+](=O)[O-])c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1OC 732649625 LXMZKHSOUZNZNF-AWEZNQCLSA-N 404.423 1.441 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 733201449 KPTWHCOZCPTAQC-INIZCTEOSA-N 408.474 1.988 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 734278229 QODIFKDZCMUANY-INIZCTEOSA-N 409.531 1.015 30 10 HDEE COCC[S@](=O)Cc1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 735194827 KWFWWBDTGWTZNC-LJAQVGFWSA-N 417.462 1.847 30 10 HDEE C[C@H](CC(=O)N1CC[C@](O)(C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 743495261 UDVNEKJAFYAFKW-MEBBXXQBSA-N 405.398 1.029 30 10 HDEE O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 752997529 CLDIMBGRIWJGSF-QBNCKDSPSA-N 418.494 1.953 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCn2cnc3ccccc3c2=O)CCCCC1 760409391 MZSAUKJDOLGXOW-UHFFFAOYSA-N 402.476 1.707 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1C 761963660 WSLOSUVPYILMHZ-IBGZPJMESA-N 417.473 1.498 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@@]2(CCO)CCOC2)c1 762214548 PNIYFRKTAOMENT-YQPBSLOJSA-N 424.523 1.410 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c1 764041431 WVVUTHSUEHERAG-AWEZNQCLSA-N 422.488 1.597 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 774856015 CUCCSVAZPYPCLX-HJPHCXOUSA-N 421.498 1.600 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cn(-c2cccc(Cl)c2F)nn1 776475293 FUDJRJJTFOETGE-BMRADRMJSA-N 404.789 1.316 30 10 HDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 779711067 AMGRUVQKGMNVGP-ARFHVFGLSA-N 413.540 1.464 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 780031090 JKXXWEXAGHFZLG-QBUQCISBSA-N 403.442 1.638 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)cc2OC)n1 788695386 KWTDLXMVOJHBSV-UHFFFAOYSA-N 421.475 1.149 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)n1 788815879 ZRTZWXUCPMUZTR-ROUUACIJSA-N 411.506 1.814 30 10 HDEE C=CC[C@]1(C(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790696228 MRLBOUFTIOYEJY-IFZYUDKTSA-N 420.510 1.827 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(=O)N2CC(C)(F)C2)c1 792380045 FNYKBKKSLLPUGL-CJLVFECKSA-N 424.498 1.789 30 10 HDEE C=CCN1CC[C@H](N(C)CN2C(=O)N[C@](c3ccccc3)(C(F)(F)F)C2=O)C1=O 799141800 BZCHQBYTXJKOAJ-KSSFIOAISA-N 410.396 1.672 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)NS(=O)(=O)c2cccc(F)c2C#N)cn1 802203760 ZGIDYRCPCWVTGN-UHFFFAOYSA-N 406.395 1.561 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 804453233 CLLCOWPNHRDHHD-INIZCTEOSA-N 407.455 1.462 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)cc1C#N 804842017 GEZFJARKIKUGED-MRXNPFEDSA-N 414.412 1.856 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](Cn2cccn2)c2ccccc2)cc1C#N 806164482 UVXXYFOMBXAHAI-IBGZPJMESA-N 403.442 1.937 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](COC)C1 809926747 RIEQKQFQXKONBB-HOTGVXAUSA-N 423.514 1.624 30 10 HDEE C#CCN(C(=O)Nc1nc(-c2ccc(OC)cc2)ns1)[C@H]1CCS(=O)(=O)C1 809927431 DSXUHRCXMABDBF-ZDUSSCGKSA-N 406.489 1.868 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812056226 GVKKXEPQNHLQOS-OALUTQOASA-N 414.531 1.651 30 10 HDEE Cc1[nH]c(-c2cccc(CN3C(=O)NC(C)(C)C3=O)c2)nc(=NCCC(=O)O)c1C#N 821182363 SUCJVQWNLXGDOD-UHFFFAOYSA-N 422.445 1.463 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc([C@H]3CCC(=O)N(CC4CCC4)C3)no2)C1=O 856557490 OKGVLJTUWQCQIT-ZDUSSCGKSA-N 401.423 1.053 30 10 HDEE Cc1ccc(-c2nnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)o2)cc1 914889477 NGTJMYWJARDDOE-UHFFFAOYSA-N 412.427 1.827 30 10 HDEE CN1CCN(C(=O)CSc2n[nH]c(NN=Cc3cc(Cl)ccc3O)n2)CC1 1084381189 NNXWRXDUIAYNHV-UHFFFAOYSA-N 409.903 1.476 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cnn(CCOC)c3)C2)cc1 1125316124 GJMRMMCRMXMPMG-MRXNPFEDSA-N 411.462 1.437 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1)C(=O)OC 1132422241 OYKCOAXBQROUBA-RVKKMQEKSA-N 424.519 1.722 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1137638640 OGKWQEFZRASZSM-CGQZWFTASA-N 422.412 1.932 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC([C@H](O)C(F)(F)F)CC2)c1 1137743494 OQJXQZAGBYVJCP-AWEZNQCLSA-N 408.373 1.898 30 10 HDEE CCn1cc(C(=O)N[C@H](C#N)CO)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1140740146 ZYNLMKWXWUBCOR-CYBMUJFWSA-N 417.897 1.041 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)cc1 1166931233 FMKGNXRUGBVDAD-UHFFFAOYSA-N 412.533 1.075 30 10 HDEE N#CC1(C[C@H](O)CN2CCC(n3nncc3I)CC2)CCC1 1174565706 RTFAOVQMLRWTMI-ZDUSSCGKSA-N 415.279 1.964 30 10 HDEE N#Cc1cncc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)c1 1178373010 ANPXBLJLINBLFO-UHFFFAOYSA-N 406.489 1.029 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1198666842 FESGTXCYBDGMHZ-SFHVURJKSA-N 408.543 1.295 30 10 HDEE CC(C)Oc1cc(C(N)=O)ccc1NC(=O)N(CCC#N)CCN1CCOCC1 1206644858 GHOICSFHYNSCMS-UHFFFAOYSA-N 403.483 1.652 30 10 HDEE C#C[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[C@H]1CCCO1 1211582331 GGRWHMQLHGUMPT-CHWSQXEVSA-N 402.266 1.778 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1C(N)=O 1213439790 AHRVWJIJSPHGFJ-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCCN2CCN(c3ncccn3)CC2)cc1 1223116890 UICHITNSHPVWAE-UHFFFAOYSA-N 408.506 1.500 30 10 HDEE COc1cc(C(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)ccc1C#N 1264393293 UIADNYQLLKILOP-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCCC)[C@@H]2CCc3ncsc3C2)C1=O 1278266510 CPDAQNJAEJINMK-CYBMUJFWSA-N 404.492 1.606 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1286310999 BTJJHGQNRTUGCW-UHFFFAOYSA-N 410.526 1.645 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1286359111 WOSVHPNGADXQCW-HZPDHXFCSA-N 411.572 1.596 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1286392579 IPUUBKDXCKRBET-HZPDHXFCSA-N 424.592 1.694 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286394951 PZSTXBCAWRTXKW-QZTJIDSGSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCn1cccn1 1286403040 HDSVNIQWQQGYJE-UHFFFAOYSA-N 412.461 1.280 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CC1(C(N)=O)CCOCC1 1286403085 FTRRSQGMUIESEA-UHFFFAOYSA-N 411.893 1.953 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286503761 KEQNASNJYVDHLM-WMZOPIPTSA-N 400.552 1.797 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1286565517 PLLOKGGKYOVWSQ-MDZRGWNJSA-N 400.483 1.110 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1286625125 HFBDZLGZRJIELB-AWEZNQCLSA-N 403.918 1.815 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1286651162 UYRPXDGIUHQCTI-GOSISDBHSA-N 424.505 1.549 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286710117 NESQJEJRNQXGNH-INIZCTEOSA-N 402.499 1.611 30 10 HDEE C=CCN(C)c1nnc(CCCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1286730484 USQWSBOROFIWLX-HXUWFJFHSA-N 404.536 1.625 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCO[C@H]1C 1286764451 PMTUNLAZCKLEEI-WJPUGNRLSA-N 415.494 1.597 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCS(=O)(=O)CC1 1286782250 PCMGNYBODPCCPU-UHFFFAOYSA-N 415.475 1.228 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@H](C)C1 1286822805 HRYVHWPTZQTAPW-CALCHBBNSA-N 422.555 1.354 30 10 HDEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1287424162 SUFPWQPBJUPTMO-PKOBYXMFSA-N 406.504 1.587 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)n1 1290632176 COWBGQOEMHZAKX-NHCUHLMSSA-N 410.526 1.748 30 10 HDEE Cc1nc(CN2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)no1 1292879708 BLDQTPXRLCWWEQ-UHFFFAOYSA-N 420.267 1.735 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1300407876 FFJNQUXALRJCCZ-QGZVFWFLSA-N 409.556 1.351 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300424674 KPJLKNXDFOOKCU-WIYYLYMNSA-N 403.527 1.837 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1300431304 WPTFAZQZWBWNLF-AWEZNQCLSA-N 403.508 1.331 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCCC(C)C)[C@H]1CCS(=O)(=O)C1 1300489016 ZCUWTCRDVXUMOE-KRWDZBQOSA-N 419.551 1.963 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300504028 INGUBCDZFGWMOW-CQSZACIVSA-N 409.537 1.255 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O)C1CSC1 1300610977 REPOTZDJVBXNOV-SFHVURJKSA-N 409.870 1.823 30 10 HDEE CC(C)(C)N1CC[C@@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1300725276 YXBRZEFHYVTIAE-WMZOPIPTSA-N 411.506 2.000 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1301050908 HUPGGPLGAQUTIR-GOSISDBHSA-N 420.926 1.739 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C(=O)OC)CC1 1301507108 WUNZSXFPAIOPAG-UHFFFAOYSA-N 416.457 1.199 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCCC1 1302311201 IYTYXRGMRSJOJR-FHWLQOOXSA-N 418.542 1.607 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 1302596616 LUKBPWQMZYWTNP-UHFFFAOYSA-N 409.231 1.610 30 10 HDEE N#Cc1cncc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 1303864386 UONBNWCLKDYKCI-WBVHZDCISA-N 420.878 1.047 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1NC(=O)CC1(C)C 1305720705 HLSLCENTDBZTAF-HIFRSBDPSA-N 403.531 1.850 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(S(=O)(=O)c2ccc(F)cc2)cc1 1307830870 GEXGZGGYKLYTNP-KRWDZBQOSA-N 402.447 1.931 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(Cc3cc4ccccc4[nH]3)CC2)CC1 1307978428 OZXOTIGGJUFHIN-HSZRJFAPSA-N 422.577 1.978 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](Cn3ccnc3)c3ccccc3)CC2)o1 1308032069 BSQKGDGMXGSWPO-HXUWFJFHSA-N 419.489 1.731 30 10 HDEE C=CCCn1cc(CNc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nn1 1308398322 XYOIHYNRWJBQDZ-UHFFFAOYSA-N 407.496 1.496 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1314656851 PFWLFUILIJFCCN-QFBILLFUSA-N 406.506 1.725 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)O)o3)CC2)C1 1326375333 ICTPKXHOWUOIIP-AWEZNQCLSA-N 412.464 1.182 30 10 HDEE C=CCC1(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCOCC1 1355791476 UAHZCTGTKITZAL-UHFFFAOYSA-N 418.519 1.769 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCC=CO2)CC1 1359029589 BKVKPZVCPXIMQG-DENIHFKCSA-N 415.538 1.767 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)NC(C)C)CC1 1359032388 MVTVTIOCFHZNEE-UHFFFAOYSA-N 400.914 1.878 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCOC[C@@H]2OC)CC1 1359181479 UGTIAHZMFSAUNR-MSOLQXFVSA-N 403.527 1.854 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CC1 1360789089 RIYMSADTMPTHES-UHFFFAOYSA-N 418.523 1.531 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)Cc2cccc(F)c2)c1 1443022512 RGGWJUQJWULZFD-UHFFFAOYSA-N 416.474 1.711 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnc(CCC(F)(F)F)s2)CC1 1443360015 SIRIWTLBGSBLHL-UHFFFAOYSA-N 402.442 1.535 30 10 HDEE COC[C@@](C)(C#N)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1445657327 PLCMXVZLTPODEB-CYBMUJFWSA-N 413.805 1.682 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@]2(COC)CN(C(=O)OC(C)(C)C)CCO2)n1 1448858621 NPPHRGXKFUVWNG-NRFANRHFSA-N 420.510 1.517 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(Cl)sc2S(N)(=O)=O)n1 1448860252 OWUJANZIQSKVIG-UHFFFAOYSA-N 416.912 1.167 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)ccc1F 1449581763 GJRVDLFUVSBHSI-CABCVRRESA-N 416.496 1.082 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OCc1ccccc1 1452669069 HOQJMYOXGNXWLX-OAHLLOKOSA-N 400.456 1.721 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1cccc(COc2ccc(C#N)cc2)c1 1455078924 OSIQDXGZYQJUQQ-LJQANCHMSA-N 408.458 1.907 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1456787382 UDYZFSQHSKKMJQ-KXBFYZLASA-N 409.324 1.839 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H](C)NC(=O)OC(C)(C)C 1457827369 XHPCJMVNDDZSQK-STQMWFEESA-N 410.496 1.254 30 10 HDEE C#C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1457950963 ONYJRNAUGGTOHO-LRDDRELGSA-N 418.437 1.917 30 10 HDEE N#CC1(C[C@H](O)CN2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCOCC1 1459881093 IWTUGXWFWIHMSQ-RBUKOAKNSA-N 420.941 1.555 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)C[C@@H]12 1460444153 BVDQPUXURSXBKJ-MDNKFWRPSA-N 419.547 1.682 30 10 HDEE CN(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1468920983 PUZYQTZNKKGUHH-MRXNPFEDSA-N 406.508 1.640 30 10 HDEE C#CCN1CCC(NC(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 1471938917 ZROVRWJZLBKHAX-XMMPIXPASA-N 418.497 1.821 30 10 HDEE N#C[C@]12CN(C(=O)CCC(=O)c3ccc4c(c3)CCCC4)C[C@H]1CS(=O)(=O)C2 1472191061 CBVGIXBEBAMFKA-GHTZIAJQSA-N 400.500 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)NCC3(C#N)CCOCC3)nn2)C1 1472339055 PKGRSUUAQCLJLJ-HNNXBMFYSA-N 418.498 1.900 30 10 HDEE C#CCN(C(=O)NCc1nc(N(C)C)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1478620663 HXMNWQDKGYDMTB-UHFFFAOYSA-N 406.487 1.680 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1498488709 DSKOOADJOCDUQJ-INIZCTEOSA-N 406.494 1.975 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CC(=O)N1CCOCC1 1503477646 ZHWSOAXVCZFZNT-IBGZPJMESA-N 424.505 1.539 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1504899480 HLMZBZHLMKDHMO-IBGZPJMESA-N 418.461 1.437 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2CCC(=O)N2)CCO1 1505322056 HQUXAAVZLQHQEW-OLZOCXBDSA-N 404.833 1.745 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1507632385 KQQNZDFTQSQKQA-AWEZNQCLSA-N 402.467 1.454 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CCCCn2cc(Br)cn2)CC1 1507718421 DIPAMLZEFFYRMA-UHFFFAOYSA-N 406.332 1.781 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2cccc(C)n2)CC1 1507726137 FUHYTKGXKSQPHF-UHFFFAOYSA-N 407.522 1.102 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507753009 HIWNXRQYVVWGPC-QGZVFWFLSA-N 418.611 1.632 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1507757347 YEINVSLBJFTFKJ-LJQANCHMSA-N 423.546 1.732 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507906878 OPVUJHAYURQCOE-CZIZESTLSA-N 420.477 1.664 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1507958597 XJJRSZBACUJNGH-HUUCEWRRSA-N 401.533 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C1CCCCC1 1508073280 ILYQULDCQDXOJA-UHFFFAOYSA-N 421.509 1.992 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC2(CCC2)C1 1508138077 VVUHVNPEYBCGOH-UHFFFAOYSA-N 405.524 1.644 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508144821 HVFIPPKNUVUDAT-IXDOHACOSA-N 410.540 1.531 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCNS(=O)(=O)c1ccccc1 1528913119 QKLHPIJPWFQHGW-INIZCTEOSA-N 424.523 1.668 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1530725072 PAEJINANVBZMLI-CABCVRRESA-N 404.463 1.610 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1c(C)c(C#N)nn1-c1ccccc1 1534335525 RBFZWNNKOBZLOK-UHFFFAOYSA-N 410.478 1.800 30 10 HDEE Cn1ccn2c(CNC(=O)c3cccc(COc4ccc(C#N)cc4)c3)nnc2c1=O 1536823452 SEALQDSQJAPQAR-UHFFFAOYSA-N 414.425 1.809 30 10 HDEE N#C[C@@]12CN(C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]1CS(=O)(=O)C2 1538539303 CQPFZQDFYTVKEC-UGSOOPFHSA-N 420.878 1.719 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1538976141 JESZTOVJRUWSCI-ZWOKBUDYSA-N 424.567 1.744 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539112099 IFNWFCMGZUCJMT-INIZCTEOSA-N 402.524 1.691 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 1539557089 LIRROAQLWOTQKZ-BBTUJRGHSA-N 419.595 1.904 30 10 HDEE C=C(Cl)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C(=O)NC)C1 1539802843 AAMBJPOWSJINIC-JKSUJKDBSA-N 419.869 1.494 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@H](C)C1 1539916348 KFHJXYMGSSHIKV-HUUCEWRRSA-N 409.556 1.449 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCNC(=O)OC(C)(C)C 1540047847 NJFQXOFQWCZUCC-CYBMUJFWSA-N 416.548 1.425 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1540867390 UXEIGCBVVRDDLP-GOSISDBHSA-N 421.505 1.432 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(CN2CCOCC2)CC1 1540868361 BMRNLJPHJNATNM-UHFFFAOYSA-N 413.526 1.124 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC)[C@H](C)C1 1540901641 KZMZZJFDQKNEMR-QGZVFWFLSA-N 418.567 1.780 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(C)(C)O 1541116497 PVUNECHFJAUTDL-LSDHHAIUSA-N 422.530 1.953 30 10 HDEE CCOC(=O)CCN(C[C@@H]1CCCN1CC)C(=O)CNC(=O)c1ccc(C#N)cc1 1542257000 BEEVXYATPOHCDW-IBGZPJMESA-N 414.506 1.554 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)NCCNc3ncccc3C#N)CC2=O)cc1 1544056496 WZTALFSRNRDNIN-MRXNPFEDSA-N 406.446 1.493 30 10 HDEE CCCOc1ccc([C@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OC 1544133830 GJTFNDHDYGTTHK-ZDUSSCGKSA-N 400.435 1.885 30 10 HDEE COC[C@](C)(CC(=O)OC)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1544893776 STJJQANGCBEFTJ-XTIIMXRNSA-N 423.510 1.858 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1554433855 MXHQIYFEMOOBIF-QGZVFWFLSA-N 400.458 1.764 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1555996131 PGDJAJJCLXIERZ-INIZCTEOSA-N 411.466 1.269 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1557497349 NJNYUUGUTPSCHP-DNVCBOLYSA-N 415.556 1.825 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)n1ncc(C#N)c1N 1557716316 RPKIKOVIRLAYRC-UHFFFAOYSA-N 403.464 1.599 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)c(C(F)(F)F)c1 1561638693 IFOROESNJVUQCF-GXTWGEPZSA-N 424.422 1.154 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2csnc2-c2ccccc2)CC1 1562953779 BCKJQCSEWVRMAI-UHFFFAOYSA-N 405.505 1.427 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)cc1 1569001655 WGGBWGYTUOJRJP-GOSISDBHSA-N 414.443 1.356 30 10 HDEE N#CCCN(C(=O)CNS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCO2 1584858181 FSNVTQUQLZZWNV-UHFFFAOYSA-N 419.434 1.822 30 10 HDEE C[C@H](CC(=O)Nc1cc(CO)cc(CO)c1)/N=C1/NS(=O)(=O)c2ccccc21 1586094172 GIGFIVXQWVNTJF-GFCCVEGCSA-N 403.460 1.127 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1587382362 HYZCJOPKEWEVBA-GOSISDBHSA-N 408.520 1.428 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1587562675 RVHXNRPVPABOEI-QWHCGFSZSA-N 407.496 1.109 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1587782732 AIITWFHJJNXVNI-MOPGFXCFSA-N 409.538 1.906 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nc(C)cs2)CC1 1588877278 YHDORASXVWQXAA-WMZOPIPTSA-N 416.551 1.571 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(O)CCC[C@H]2C)CC1 1588968917 RZXRODRDACYKHR-RADWXHQJSA-N 415.538 1.647 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2Cc2nncn2C)CC1 1594035462 JFWSOFOVQYVBKI-UHFFFAOYSA-N 413.507 1.682 30 10 HDEE C=CC1CCN(c2nnc(-c3cccnc3)n2CCOCCS(C)(=O)=O)CC1 1594226743 QPOZOQJTHXCTJT-UHFFFAOYSA-N 405.524 1.804 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(=O)N(C)C)CC1 1594236817 JOOLBDPYAZFUEL-INIZCTEOSA-N 409.556 1.451 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1594948663 JAMPVLFETLOAIX-MRXNPFEDSA-N 403.508 1.715 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(S(C)(=O)=O)CC1 1595421488 KPCKJLYPFQWXAT-UHFFFAOYSA-N 400.508 1.716 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1595500989 IHKSIGPMVSWYAB-KRWDZBQOSA-N 417.535 1.433 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@@](F)(C#N)C1 1595530014 POJCNIUYRQOLPJ-OAQYLSRUSA-N 420.452 1.875 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCS[C@H](C)C1 1595812574 YCNYMRMYGNYNIY-OAHLLOKOSA-N 407.565 1.806 30 10 HDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1598235057 CCEXWEAMRRDGQY-OAQYLSRUSA-N 412.494 1.462 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1F 1611648709 GKNZPVAOGZMDFF-UHFFFAOYSA-N 417.368 1.599 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)n1 1612493422 UXVCQXWOFFHPAM-FOIQADDNSA-N 414.489 1.496 30 10 HDEE Cc1ccc2c(n1)c(=O)c(C#N)cn2CC(=O)N(CC(=O)N(C)C)CC(F)(F)F 1613659304 TZPKZFQUOPDZIP-UHFFFAOYSA-N 409.368 1.056 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C1CCOCC1 1618324259 XXUIZDKEPZZAOW-ZWKOTPCHSA-N 421.475 1.293 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CCCS2)c1 1620349134 GJSYKXRCSCYIGD-INIZCTEOSA-N 403.533 1.947 30 10 HDEE C#CCN(CC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1O)C(=O)OC(C)(C)C 1623644300 NQOSGTDSPUEPNN-ZIAGYGMSSA-N 404.467 1.737 30 10 HDEE N#Cc1cn(CCC(=O)NC2(c3ccc(Br)cc3)CC2)c(=O)nc1O 1625149897 HJCUJZPREHVSBS-UHFFFAOYSA-N 403.236 1.779 30 10 HDEE C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O 1632873125 AOOGCOMWVUUVBQ-NGTFFEPXSA-N 402.476 1.133 30 10 HDEE C#CCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nnn(C)n3)cc2)CCCCC1 1633551295 LNBLRRDFJWHZED-UHFFFAOYSA-N 402.480 1.923 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC2(CCN(C(=O)Cn3cnc(C#N)n3)CC2)CO1 1636400311 YLAXNTPLMMJPLF-CQSZACIVSA-N 404.471 1.072 30 10 HDEE COCCN(CC#N)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1637300871 GUTOULFDIOMPTJ-UHFFFAOYSA-N 407.268 1.519 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](O)C[C@H]3c3n[nH]c(CC)n3)n[nH]2)c1C 1637604590 JBXLSAQMRHHTQR-CJNGLKHVSA-N 410.482 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)Cn3cnc(C#N)n3)CC2)C1 1638010558 GBHLOJFCYQUCGX-CVEARBPZSA-N 418.498 1.461 30 10 HDEE C#CC1(O)CN(C(=O)c2cccnc2SCC(=O)Nc2ccc3c(c2)OCO3)C1 1640070251 NCKWFAZLYHBCNN-UHFFFAOYSA-N 411.439 1.361 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CC(c4cccc(Cl)c4F)=NO3)C2)c(=O)nc1O 1640637444 ZLDTYCYFPHJWEG-AWEZNQCLSA-N 417.784 1.190 30 10 HDEE N#Cc1cc(C(F)(F)F)cc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1 1642492673 XQZSKJVLSQQOSR-AWEZNQCLSA-N 404.414 1.603 30 10 HDEE C#C[C@H](NCCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@H]1CCCO1 1642792100 YERRAZLFMRRXSF-RBUKOAKNSA-N 405.520 1.570 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@@]3=O)CC1 1644129573 SNCLEWKYFFZMEE-FUASWGTPSA-N 406.577 1.442 30 10 HDEE CCN(C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O)C1CCCCC1 1644134074 ZFEAGGRKGXOGLY-UHFFFAOYSA-N 418.494 1.405 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 1644947772 IYBGBIOHKILNNB-GOSISDBHSA-N 409.577 1.300 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(CN4CC[C@@H](O)C4)cc3)CC2=O)cc1 1645158171 IOPHFMUMTXYOLR-IFMALSPDSA-N 418.497 1.794 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[S@@](=O)CC(F)(F)F)c1 1645318230 PWVUOSXDUKPHGK-XMMPIXPASA-N 400.375 1.164 30 10 HDEE C=CCN1CC[C@@H](N(CC)[C@H](C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1647784818 VHZVXWQTTSLIJE-QZTJIDSGSA-N 422.570 1.953 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)c1 1648070841 CEPZPRBHJMCJFM-HNNXBMFYSA-N 424.519 1.629 30 10 HDEE C#Cc1cccc(NC(=O)CN=c2nc(C(=O)OCC)[nH]cc2Br)c1 1650655031 ZHXKLJJNEQIWPD-UHFFFAOYSA-N 403.236 1.870 30 10 HDEE O=C(Cn1nc(C(F)(F)F)c2c1CCOC2)NC[C@@H](O)C(F)(F)C(F)(F)F 1650957373 BXFZLSYGWLRUNB-MRVPVSSYSA-N 411.249 1.649 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(CSC)n[nH]2)s1 1652086911 FYTXKWIWNPBCIL-UHFFFAOYSA-N 401.539 1.052 30 10 HDEE CCc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1 1654877815 XNGCBZVYKUAXEC-UHFFFAOYSA-N 402.436 1.330 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCN1CCOCC1)CC1CC1 1655158939 HBZRYSHYNOWURM-UHFFFAOYSA-N 408.506 1.727 30 10 HDEE CN(CC(N)=O)C(=O)c1cccc(NC(=O)N2CCC(C#N)(c3ccccn3)CC2)c1 1661535190 BODPOFQPXWOJJH-UHFFFAOYSA-N 420.473 1.728 30 10 HDEE CC[C@@](COC)(NS(=O)(=O)c1cccc(Br)c1C#N)C(=O)OC 1662366825 CLDUSUPOUZBBQD-AWEZNQCLSA-N 405.270 1.567 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 1664029339 SAPBJUHCHKSVAQ-CVEARBPZSA-N 406.501 1.099 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCOCC1 1674276671 NOHGVSYKDADOGZ-IBGZPJMESA-N 405.520 1.149 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1674888255 SIKPVOMYHUPYIQ-IRXDYDNUSA-N 424.542 1.477 30 10 HDEE C#CCC1(NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)CCOCC1 1678887528 NUYHOLBVJMZCEC-UHFFFAOYSA-N 422.503 1.146 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CCO1 1679944203 IRYGEZBVEFPXOZ-ZACQAIPSSA-N 409.531 1.498 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)nn1 1683483182 QHXAGVATJHDMTL-OAHLLOKOSA-N 418.523 1.907 30 10 HDEE C=CCC(C)(C)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1684816238 VNHQTZGJZLMQBK-JSEZXORMSA-N 400.479 1.440 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1689888589 NBOXYONJRTVGQJ-KRWDZBQOSA-N 415.542 1.617 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1689994498 ZHLWMEDZERUCJX-PXNSSMCTSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1690029888 KIQMQSYFPRIEOX-UHFFFAOYSA-N 424.549 1.768 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1CCCN1CCN(CC)CC1 1690050005 OUFZVWGMAPDCOM-UHFFFAOYSA-N 419.577 1.754 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1690515717 RYDSQVNZMZEMEY-AWEZNQCLSA-N 421.523 1.604 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690673583 YGJBQJLFFZDVCO-IBGZPJMESA-N 424.549 1.832 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)C[C@@H](C)C#N 1691005796 FLTDFQQGAZZHTF-HNNXBMFYSA-N 422.530 1.932 30 10 HDEE CC(C)(C)c1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1691084677 DRTJQBUFPCNYMQ-AWEZNQCLSA-N 420.539 1.854 30 10 HDEE COCCOCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1698226206 JIXPWCDGFXLFSD-KRWDZBQOSA-N 401.467 1.269 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1705477619 QKIRATWNHGXNPK-HZPDHXFCSA-N 417.535 1.959 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](C)OC)c1 1705505777 SPXXXLCDUXYTQE-OAHLLOKOSA-N 407.478 1.770 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2CCCCO2)CC1 1705631348 BDDIMIPDBBSUIO-SFHVURJKSA-N 400.527 1.229 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCOC2CCOCC2)CC1 1705643687 OZCCMHAAMLIEHA-LJQANCHMSA-N 403.527 1.471 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1705734622 VTLRACNIZQHYNF-QGZVFWFLSA-N 401.515 1.766 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1705840148 CCKZSXVFCANGOQ-UHFFFAOYSA-N 413.526 1.627 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705944110 VKLFYYTVLUKQFC-RDBSUJKOSA-N 406.512 1.083 30 10 HDEE CCN(CCCn1c([C@H]2CCCCO2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1710142130 BXVGFTIXPWVNOM-QGZVFWFLSA-N 424.571 1.931 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 1712505778 VNPXLOWXDKCYJK-QFBILLFUSA-N 423.521 1.282 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCNC(=O)c1ccco1 1722284540 NBRKHDRBOXBBOO-CQSZACIVSA-N 400.483 1.677 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722429037 MLZXOXZRJUMUPO-MOPGFXCFSA-N 423.517 1.921 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC1(N2CCOCC2)CC1 1722467947 DRDDKYXQHHINIQ-GHTZIAJQSA-N 417.554 1.859 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1722699042 QSGYDNPMURJDPE-INIZCTEOSA-N 414.466 1.671 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1722702861 PSFBHEDXXXMJOQ-CYBMUJFWSA-N 415.416 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCSC[C@@H]1C 1722728879 BNYRRKWPDZRIKS-HNNXBMFYSA-N 407.565 1.806 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1722870565 QYFYODMJHZPHJA-YCRPNKLZSA-N 407.478 1.803 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCSC1 1729396310 CJWAZCQXUBTFKV-OXQOHEQNSA-N 412.519 1.605 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)cc2C)CC1 1740694601 OBTHOLKFXQSNRR-HXUWFJFHSA-N 421.549 1.407 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCCCC2)CC1 1740706048 QRFSSURVCUAEQP-IBGZPJMESA-N 414.554 1.234 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1740708866 DIFPNVIXNRAJJL-HZSPNIEDSA-N 417.626 1.585 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1740715952 IEHMJBXAFBJVNX-IAGOWNOFSA-N 413.551 1.942 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2C[C@@H]2C)CC1 1740840235 VCBGGAXQOVRRSS-UAGQMJEPSA-N 409.556 1.669 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740958799 VFDYMJFCWUPYQN-IRXDYDNUSA-N 404.515 1.127 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN(CC2CC2)CC1 1740989288 HUYCJEATXRGCDS-UHFFFAOYSA-N 418.567 1.416 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1741129128 JWDFHOZCPFDGCP-JKSUJKDBSA-N 409.498 1.675 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1748697790 NNXLUYVNDVJOSS-UHFFFAOYSA-N 412.494 1.775 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1748814653 IIPAFCPUFXPICE-MSOLQXFVSA-N 424.567 1.963 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccsc1 1748892986 ZLNNBCVSMQFVFE-QGZVFWFLSA-N 402.545 1.947 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NC2CCCCC2)CC1 1748990801 LLMIAUWGRWBAOO-LJQANCHMSA-N 414.554 1.724 30 10 HDEE C#CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1749048300 MLJXJKFJJHFWHG-VQTJNVASSA-N 421.567 1.259 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749664644 VKSNEOIBQYMUKV-IBGZPJMESA-N 424.549 1.714 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1750388907 OBNHXUHRATVZPB-CVEARBPZSA-N 415.498 1.290 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760173188 MOHUNOMITRAEDX-HNNXBMFYSA-N 403.508 1.305 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1760183941 FITJQEQDLQKGIL-INIZCTEOSA-N 418.519 1.617 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1760205921 NACLGAWPTFZLJO-SFTDATJTSA-N 413.566 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C(N)=O)nc1 1760208624 GTQUKQITIFZJLL-UHFFFAOYSA-N 421.505 1.202 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@H]2CCn3ccnc3C2)n1 1760252244 LNGMWGUYWMRQCM-SFHVURJKSA-N 408.510 1.528 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1760321162 CDNSUALSLFTIIY-WMZOPIPTSA-N 411.572 1.539 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(C(N)=O)CC1 1760324303 JLTNRAOKVDCSPL-QFBILLFUSA-N 416.526 1.083 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@H]2CCCOC2)nnc1[C@@]1(OCC)CCOC1 1760528309 YSWZMFVMGMEAGI-OXQOHEQNSA-N 407.515 1.095 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760540919 RDANVZAYGWILPE-XLIONFOSSA-N 418.519 1.276 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1766582708 AJKDYWBSIINGPC-HNNXBMFYSA-N 418.523 1.323 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 1766722965 LNBCANCCHXDCSZ-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@H]1OC 1769977397 HTYGEOCIFJKADK-KBAYOESNSA-N 407.515 1.794 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)C1 1770726815 AFEINXIPLKYWRB-BEFAXECRSA-N 402.430 1.871 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1771079846 BVGKODRAJLUDKR-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2COCCO2)CC1 1771539942 PANUHUSWGVUDNQ-IRXDYDNUSA-N 423.539 1.116 30 10 HDEE C[C@]1(CCc2ccccc2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772790682 SIUIQRAYUDMETO-JOCHJYFZSA-N 421.409 1.684 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CCC(=O)NC1 1848788754 UTEFVLAKJKBYMO-OALUTQOASA-N 402.491 1.564 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccc(C)cc1 1850311940 MPPOFCUEJAWIPD-OAQYLSRUSA-N 424.522 1.726 30 10 HDEE COCc1c(C(=O)NCCN2CCC(C#N)CC2)nnn1-c1ccc2c(c1)OCO2 1850669442 KODXTQIOMNFOCE-UHFFFAOYSA-N 412.450 1.108 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc(F)c(C)c2)c1COC)[C@@H]1CCN(C)C1=O 1850855964 HJOKPVBYMOZSCX-MRXNPFEDSA-N 401.442 1.720 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CO2)nc1 1852969642 UGUFXBBBQZHGOR-GDBMZVCRSA-N 422.397 1.398 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CCCN(S(=O)(=O)C2CC2)C1 1853332294 QSUCSKOIXNORKC-JTQLQIEISA-N 405.402 1.460 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2CCCN2c2ccccn2)CC1 1853335484 AVJWSTZRHPRRDJ-IBGZPJMESA-N 406.490 1.682 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N3CC=C(c4cccc(C)n4)CC3)C2=O)CC1=O 1854129151 AWDPGISJMGVHPS-AZUAARDMSA-N 408.502 1.641 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 1854401085 IMRCCXPSLWQEIS-GOSISDBHSA-N 404.419 1.929 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1854657484 FGAYYCYWGVHKSL-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE Cc1nnc(C(=O)N2CCC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)o1 1855166115 FWJOAJMPBSSFTK-SFHVURJKSA-N 409.446 1.924 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)[C@H](C)CN(Cc3nnco3)c3ccccc32)CC1=O 1855370267 PKPSSFXGEAEEAY-CABCVRRESA-N 409.446 1.620 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCCc4nccc(OC)c43)CC2=O)CC1=O 1855686541 SIQPNGVAQRDUQJ-HOTGVXAUSA-N 412.490 1.252 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@@H](C)CCC#N)C(C)(C)C2=O)c(OC)n1 1856720653 WWFQUQXPWYFBPX-AWEZNQCLSA-N 404.467 1.619 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)C2CC3(COC3)C2)C1=O 1857037460 AWZKWKWBJQQFGA-CYBMUJFWSA-N 403.460 1.282 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3ccc(F)cc3F)C2=O)CC1 1857065973 DBHWOCOGEYBNNB-SFHVURJKSA-N 411.412 1.795 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3nccnc3c2)C1)[C@@H]1CCN(C)C1=O 1857298662 FFCCVGYJVVUZFD-HNAYVOBHSA-N 407.474 1.337 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@H]4CCC[C@@H]43)ccc21 1857461309 PRYGGCRQWJINBQ-IRXDYDNUSA-N 403.460 1.348 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C(C)C)cc1 1865722680 XPNJOZUZOSKMAX-HNNXBMFYSA-N 410.474 1.204 30 10 HDEE C#CCOc1cn(CCCCN(CC)CC)c(CN2CCN(C(C)=O)CC2)cc1=O 1870563617 IWUKJTBUCFWPJI-UHFFFAOYSA-N 416.566 1.646 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cc(Cl)ccc2C)[nH]1 1871511432 CGUFKAADTRJYDU-UHFFFAOYSA-N 401.902 1.687 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCc3cccnc3)ncnc21 1875228544 SVXBAMMVQFKNPG-UHFFFAOYSA-N 419.489 1.929 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(=O)n3cc(C)ccc3nc21 1875237418 MGPPTFCWVNPAJU-UHFFFAOYSA-N 409.490 1.596 30 10 HDEE COc1ccc(-c2ccc(=O)n(CCCC(=O)NCC#CCN3CCOCC3)n2)cc1 1890104274 NKBMFMDJYWBRSZ-UHFFFAOYSA-N 424.501 1.151 30 10 HDEE C#CCOC1CN(C(=O)[C@@H]2SCC(=O)N(C(C)C)[C@H]2c2ccc(OC)cc2)C1 1890926457 HZSMLROQIDJLRI-VQTJNVASSA-N 402.516 1.949 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCCO1 2174789216 NYKOJAQFHXIONU-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)[C@H](CSCCC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180120770 ZDDHCIADBLEYFQ-GJZGRUSLSA-N 418.581 1.672 30 10 HDEE C[C@H](NC(=O)C1(C)CS(=O)(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186630313 DHFDUEFGCOWWEH-JTQLQIEISA-N 400.331 1.054 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828406 NFXYAKNOLCMZMB-OLZOCXBDSA-N 420.319 1.600 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC1CN(C(=O)OC(C)(C)C)C1 2247859177 SVRQNCPRXULJOS-UHFFFAOYSA-N 419.331 1.921 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282180650 VVOBWWGFLLJVOM-UKRRQHHQSA-N 403.288 1.389 30 10 HDEE C[C@H]1C[C@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282336332 BMAVIXOCXBRETI-STQMWFEESA-N 400.375 1.808 30 10 HDEE CS[C@@H]1CCC[C@@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282342035 BDQXIDPNZJOQMM-QWHCGFSZSA-N 401.363 1.282 30 10 HDEE CN1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCC1 2282488609 CXBZIKOCFRXERG-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@H](N)CC2)OC1(C)C 2282500468 KWVVCQANEAQGAQ-QWHCGFSZSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCC[C@H]2O)OC1(C)C 2282502264 IPTBPTSUKJLWOO-UONOGXRCSA-N 401.359 1.770 30 10 HDEE C[C@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCSC1 2282502305 JGGYWZYHIPMYSO-RYUDHWBXSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3COC[C@@H]3F)c(Cl)c2)OC1(C)C 2282829723 JBDOGJKSUHUEOW-STQMWFEESA-N 405.684 1.654 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](O)C1(C)C 2282834871 NVTCFMJRVGFXEM-ZDUSSCGKSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](CO)C3CCC3)s2)OC1(C)C 2282862472 CXFIRDASEQCCGS-ZDUSSCGKSA-N 401.359 1.734 30 10 HDEE CC(C)[C@H]1COC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876566 FQWYTZONVQIXOD-TZMCWYRMSA-N 401.359 1.997 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284394652 AVIVUNJALUXNQD-SNVBAGLBSA-N 403.693 1.781 30 10 HDEE O=S(=O)(N=C1C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccc(F)cc1 2293103968 XBSIFSAFRVJCRF-FQEVSTJZSA-N 418.446 1.371 30 10 HDEE COC(=O)[C@@](C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)C(F)(F)F 2339703623 RIRRDWFERWYBCU-CQSZACIVSA-N 401.403 1.812 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC(F)(F)[C@@](C)(N)C2)OC1(C)C 2362003092 ZDZSAUHYDYALCO-AWEZNQCLSA-N 408.301 1.404 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365206338 GMYJFPKQSBOSCY-JKSUJKDBSA-N 402.557 1.538 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(CNC(=O)OC(C)(C)C)CCCO1 2367799678 CFIDWOVDQLIOFK-DNVCBOLYSA-N 400.541 1.619 30 10 HDEE CCCN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2368322019 WIYCDDOWXNECKJ-QEOTZNIISA-N 400.541 1.188 30 10 HDEE COc1ccc(CN2CCN(CC(=O)N[C@](C)(C#N)C3CC3)CC2)c(OC)c1OC 22808091 NBYPBKYBTBTIQP-JOCHJYFZSA-N 416.522 1.638 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C(O)=C\C(=O)c2ccc(F)cc2)cc1 104497987 YKGHKFPLOGTCEH-LICLKQGHSA-N 406.391 1.914 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CCC[C@@H](Oc4nccnc4C#N)C3)CC2=O)c1 238814522 BDAZCFOHBBYGRB-CRAIPNDOSA-N 421.457 1.780 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1CCc1ccccc1 254555799 KQNZITBDPAUWAA-GJZGRUSLSA-N 410.517 1.581 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccc(Br)cn2)CC1 462453269 BWVGSVCGTLOKAN-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc(N2CCCC2)nc1 465416273 KAFTXJZEIXBVIK-HNNXBMFYSA-N 420.477 1.019 30 10 HDEE COc1ccc(C[C@H](CO)CNC(=O)c2cc(C#N)c(SC)nc2O)cc1O 475525353 WEAHZBFJDPKXCJ-LBPRGKRZSA-N 403.460 1.676 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 478742354 DDZITJRVIDIKRA-MRXNPFEDSA-N 411.527 1.992 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 486381025 ZACOYYPEEDPAHF-RTBURBONSA-N 407.536 1.933 30 10 HDEE C[C@H]1CCCC[C@@H]1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 497556810 QALJFPZYFHLWSA-WMZOPIPTSA-N 405.520 1.986 30 10 HDEE C[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)CC(=O)N1C 502909009 KUDUEHGFAXTTFT-HOTGVXAUSA-N 413.522 1.519 30 10 HDEE CN(CC(N)=O)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 516556240 FASJSEAUWMRQRU-UHFFFAOYSA-N 406.851 1.570 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)Nc2ccccn2)nc1C 526899436 WUWYDAABIBONIP-NDEPHWFRSA-N 422.488 1.515 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(S(=O)(=O)NC4CC4)cc3)CC2)n1 545462436 DQCPAUYUELHXMK-UHFFFAOYSA-N 411.487 1.356 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 549287661 MBJXVMLOKNTHQG-FQEVSTJZSA-N 415.519 1.641 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccccc2)CC1 549515266 GPDFAACBFQVJDN-SFHVURJKSA-N 417.535 1.816 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 555244948 VDOOMDYFMCXWIM-CABCVRRESA-N 417.526 1.922 30 10 HDEE N#CC1(CS(=O)(=O)NCCCNS(=O)(=O)c2ccccc2Cl)CCC1 564350087 RTTMTXUDBOXVAS-UHFFFAOYSA-N 405.929 1.622 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc3c(cc2OC)OCO3)c1=O 583901747 QOERAHSFIRFVNN-UHFFFAOYSA-N 424.478 1.705 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586863577 SUNUSSUWKKYMCN-LJQANCHMSA-N 419.416 1.103 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)c(F)c1 587862115 IROIBDCSJDEDHZ-QAPCUYQASA-N 400.454 1.420 30 10 HDEE Cc1ccn2ncc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c2n1 609033670 YOSOQALNIWCEBU-UHFFFAOYSA-N 410.459 1.056 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCS3(=O)=O)c2)c(F)c1 609257067 QVUIUUNNGVOZQW-UHFFFAOYSA-N 416.434 1.492 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2cccnc2)CC1 609322653 FHXNYTYJOYRJIZ-UHFFFAOYSA-N 422.470 1.490 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 670232747 KLZIJHPBWIIMFX-QGZVFWFLSA-N 419.551 1.994 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@@H](c1ccco1)N1CCCCC1 732439041 DMQYXSBNGDVXQK-MJWGMMHASA-N 401.467 1.632 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732706174 HTMBNTCUVJELFM-JXXFODFXSA-N 411.506 1.437 30 10 HDEE COc1ccc(C(=O)NCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cc1 743733006 BBCZSUMJPQTZLU-UHFFFAOYSA-N 408.458 1.896 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)ccc1F 743958863 LQPYAKJCHBTCEH-UHFFFAOYSA-N 415.450 1.801 30 10 HDEE COc1ccc([C@H](CC(=O)OCC(=O)NCc2ccc(C#N)cc2)NC(C)=O)cc1 746547001 AWHIZRSPQXWDHO-FQEVSTJZSA-N 409.442 1.994 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)Nc1ccc(F)cc1OCC#N 748622192 ALBOMVHQVBBLCI-VDERGJSUSA-N 405.382 1.685 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 749892355 AMAGVBYVEJXZJG-UKRRQHHQSA-N 421.276 1.860 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(-n2ccnn2)cc1 756126083 DYCXSZFCNZIFSJ-AWEZNQCLSA-N 424.486 1.573 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)Cn1c(C)cc(O)cc1=O 759905266 DOTOEWREUUQCSL-OAHLLOKOSA-N 413.430 1.750 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763437057 PVMZJGOKHWNSEG-UHFFFAOYSA-N 404.495 1.102 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C)c1cc[nH]n1 772560146 KKLQNJXFTNPXTJ-GFCCVEGCSA-N 404.471 1.831 30 10 HDEE C#CCCCCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 773636782 YUMGYOQWWHKBEI-SFQUDFHCSA-N 418.515 1.868 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccccc2OC)CC1)[C@H]1CCS(=O)(=O)C1 774185622 GZBAHFRLYPIFQO-KRWDZBQOSA-N 405.520 1.496 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](O)c1ccc(C#N)cc1 780936045 AIKLVMHAYZZQIE-GOSISDBHSA-N 402.476 1.547 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)COC(=O)[C@@H](O)Cc1cnn(C)c1 786860429 IMJLPACQYMUEMR-BBRMVZONSA-N 402.476 1.900 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N[C@](C)(C#N)C2CC2)[C@@H]1c1cncn1C 796088713 XTBLTEFCOVGVJS-QFIXIFRTSA-N 415.494 1.461 30 10 HDEE CCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802628970 WUQWCJLQHAMXST-KRWDZBQOSA-N 424.509 1.529 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO2)CCN1C1CC1 802692940 NENCFWVYGLXJIN-IAGOWNOFSA-N 422.493 1.281 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCc3cc(S(=O)(=O)N(C)C)ccc32)cc1C#N 813647653 UOHUAEUZRBCRDT-UHFFFAOYSA-N 406.489 1.263 30 10 HDEE CCCCCOC(=O)CSc1n[nH]c(NN=Cc2c(C)nn(CCO)c2C)n1 1084273460 RJOHEXZSBBPSLK-UHFFFAOYSA-N 409.516 1.882 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)Nc3snc(C)c3C#N)CC2)c1 1128319358 HERCMEJKTNOLKF-UHFFFAOYSA-N 419.532 1.722 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@H]2CCCc3cc(C#N)ccc32)[C@H]1c1nccn1C 1129977521 WFULLVKIEYLOEO-IHPCNDPISA-N 407.474 1.774 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CCCN1C(=O)OC(C)(C)C 1130707080 KHHOEEKBVXROFE-NRFANRHFSA-N 408.543 1.565 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1 1140915175 CJWGHTLPGQFBOE-IBGZPJMESA-N 402.447 1.951 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCc3nc[nH]c3[C@H]2c2cccnc2)cc1 1143289058 BRBGHVQYALXPHS-OAQYLSRUSA-N 421.482 1.765 30 10 HDEE COCCn1cc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1155203526 BBKUHJYEVBFYJH-BATSVXPKSA-N 417.510 1.933 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)cc1 1158504022 URGPUPXOERGFKC-HKUYNNGSSA-N 418.902 1.762 30 10 HDEE Cc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C#N 1162122416 ZFOWCKXYLRPZHO-UHFFFAOYSA-N 402.432 1.825 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CS(N)(=O)=O 1169750898 BCZQNSMOAWDLCG-QWHCGFSZSA-N 409.936 1.692 30 10 HDEE N#C[C@]12CN(C(=O)c3[nH]c4ccccc4c3Br)C[C@H]1CS(=O)(=O)C2 1179649815 AVNIQDIXNCANQK-MGPLVRAMSA-N 408.277 1.941 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCn2c(Cc3cccc(F)c3F)nnc2C1 1196573169 FVFNVIQZRUDRCC-AWEZNQCLSA-N 402.449 1.971 30 10 HDEE COC(=O)[C@@H](c1ccccc1C(F)(F)F)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198337463 SUCDJOBLGBFVGU-SGIREYDYSA-N 402.394 1.790 30 10 HDEE N#CCCN(Cc1ccccn1)S(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1209342013 AHYTURWHTKJGHE-UHFFFAOYSA-N 414.487 1.844 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2C[C@@H]2COCCO2)c1 1286312062 UDGHRCDVWWLKMM-LJQANCHMSA-N 411.506 1.948 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1cccc(OC)c1 1286360049 CIWUADYYYMIYOC-LSDHHAIUSA-N 421.523 1.434 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1286386728 GNKHIXIHVQWIJU-APWZRJJASA-N 403.508 1.128 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1286505233 YGKFCKLDGOGVDP-OAHLLOKOSA-N 405.549 1.720 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1286607577 IKGCEOLPKVLUQC-FGTMMUONSA-N 424.567 1.921 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCN(C)C1 1286971013 GJMIJHUDZCAGEX-WCLQXYBISA-N 404.559 1.859 30 10 HDEE N#Cc1csc(CNC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)n1 1289332873 CIHIKBJAZFQMIA-UHFFFAOYSA-N 405.233 1.690 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CCSC1 1290858373 HWROIYHVCRFEDN-IBGZPJMESA-N 402.499 1.792 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)OC(C)(C)C)CCSCC2)CC1 1292890068 UMLYNSBYUBERGT-UHFFFAOYSA-N 423.579 1.125 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)c3ccccn3)CC2)n1Cc1ccc(C#N)o1 1297259741 FQEKMVUCPGNUAH-UHFFFAOYSA-N 421.461 1.685 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](OC(=O)N(C)C)C2)s1 1298141908 LVGUKZLVKDUCEC-ZDUSSCGKSA-N 415.537 1.444 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1299423490 DTCNVTVDTIAXED-DZGCQCFKSA-N 403.487 1.446 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1nnc(C)s1 1300303387 IIQJIUXFIHPCOF-LBPRGKRZSA-N 420.502 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC=CO1 1300528564 ZIVLBNLFHLEHIU-KRWDZBQOSA-N 414.469 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1=CCCOC1 1300569451 LQNBEZUDFXUOSP-UHFFFAOYSA-N 414.473 1.730 30 10 HDEE N#CC[C@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1300689649 OGTOBJGNFWZTRW-RHSMWYFYSA-N 406.464 1.900 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300843913 KZHRHORYYCPSIM-STQMWFEESA-N 419.345 1.704 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)CC(C)C 1301567922 MYCBLAVGMWCVJM-UHFFFAOYSA-N 406.512 1.618 30 10 HDEE C=C(C)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc2c(c1)CCCC2)C(=O)OC 1302430008 XLFFTKOQRMODNR-SFHVURJKSA-N 408.520 1.858 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(c2ccccn2)CCC1 1303410937 BWLQRYXBZIEBAZ-MRXNPFEDSA-N 409.494 1.662 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)C(C)C)CCOC1 1303507816 ZCLNFCFVAKDIMG-PWIZWCRZSA-N 407.515 1.454 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC(O)(c3ccc(Br)cc3)C2)nc1 1307960875 MITOYGWPVVJHOI-UHFFFAOYSA-N 422.304 1.693 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2=O)cc1 1312484720 AANFUCMOPOUING-IBGZPJMESA-N 424.505 1.500 30 10 HDEE Cn1cnc(Cn2c(CC(C)(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)n1 1314919742 HBXAGJBMJWQAIX-UHFFFAOYSA-N 420.525 1.637 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CCO1 1315013725 PBWFMKLSABQPIC-GOSISDBHSA-N 417.429 1.281 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1316028769 ASRSDCCLTQZEED-MRXNPFEDSA-N 419.917 1.691 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1316538739 AJZZLWHSSOJTCW-RDJZCZTQSA-N 419.482 1.171 30 10 HDEE C#CCN(C(=O)c1cc(OC)cc(Br)c1OC)[C@H]1CCS(=O)(=O)C1 1319033524 BQKRNZXNALMEQI-NSHDSACASA-N 416.293 1.729 30 10 HDEE C[C@](O)(C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1)C(F)(F)F 1320568144 DFOOQTBZHYSVLT-FIPLFPIMSA-N 404.389 1.248 30 10 HDEE CCN(CCC#N)C(=O)CN1[C@H]2CCC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1323774992 UOMFNSSFAANQCG-MIKCSNIASA-N 400.523 1.237 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)c3cc(C#N)c(SC)nc3O)C2)n1 1328857113 AHVBJASNOHBIQI-GOSISDBHSA-N 403.464 1.536 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1ccc(COC2CCOCC2)cc1 1335427447 DHHRYCQFCPBDOZ-DQRAZIAOSA-N 413.474 1.915 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1355574599 ODQUGWPYISJMDY-OAHLLOKOSA-N 402.451 1.973 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1358869708 TYZAEGKKSWPYJY-MRXNPFEDSA-N 400.527 1.763 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)N(C)C)CC1 1358911006 IMJKWBWQACLAJA-QGZVFWFLSA-N 400.527 1.727 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1358930576 YATGCCKLQABGQJ-OAGGEKHMSA-N 407.540 1.117 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1358948176 WOMQMAVFOYDYLZ-HNNXBMFYSA-N 423.564 1.938 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@H]1C 1358974315 YSWPLUUMSMXVDI-VGOFRKELSA-N 416.489 1.545 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1359007502 MBAKYGRYPJGFQR-OAHLLOKOSA-N 410.478 1.313 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2cnn(C)c2)n1 1359027955 BMLPPCKWQIWLCO-GOSISDBHSA-N 424.509 1.047 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359151396 SMTBSDRWNNCRMF-KFWWJZLASA-N 400.932 1.938 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1359231743 DUGYYRLKIAIXHU-NRFANRHFSA-N 424.509 1.965 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)nn(C)c1C)C1CC1 1359251719 SUVBQZUQEXBVRB-HNNXBMFYSA-N 404.540 1.734 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359326505 BPQRUQLDAMTLET-WBVHZDCISA-N 411.572 1.697 30 10 HDEE CC[C@H]1[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN1C(=O)OC(C)(C)C 1439796659 NRRFEQAROAFYRO-XMDUPGNXSA-N 411.524 1.419 30 10 HDEE N#C[C@H](CO)NC(=O)c1csc(I)c1Br 1449516966 DLPAHJJMULPBGC-SCSAIBSYSA-N 401.023 1.729 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CC(=O)OC(C)C)C(C)C)cc1S(=O)(=O)NCC#N 1452531706 XRHLPNRVGAIUQC-INIZCTEOSA-N 409.508 1.893 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1456491628 XPYOOPGDXMRQRQ-UHFFFAOYSA-N 400.460 1.133 30 10 HDEE Cn1c(O)nc(N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)cc1=O 1458275790 GQSVJPXACOPKSN-AWEZNQCLSA-N 404.268 1.635 30 10 HDEE CN1CCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc2)CC1 1462468275 OHYNJPWLFCRHRQ-FQEVSTJZSA-N 417.513 1.979 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Br)cnc2Cl)CC1 1462533103 KPBJBHFUACEEPQ-UHFFFAOYSA-N 407.721 1.083 30 10 HDEE C#CCn1cc(CNC(=O)C2(NS(=O)(=O)c3c(C)noc3C)CCCC2)cn1 1467725094 NIAYCHIOQJCPDT-UHFFFAOYSA-N 405.480 1.029 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)C1 1469729427 MJQZEAFBENNIHI-IVZWLZJFSA-N 416.347 1.603 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N(CCOCCO)C3CCC3)C2=O)cc1 1470032468 IMFCKRYIGAKQDE-IBGZPJMESA-N 400.479 1.232 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1470672890 YGWSKGQHCYJFFA-SFHVURJKSA-N 419.551 1.103 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCO[C@H]([C@@H]2COC(C)(C)O2)C1 1471716025 PRQXRWOHWZBLAU-JYJNAYRXSA-N 411.499 1.952 30 10 HDEE C#CCN(C(=O)c1cn(C[C@H]2CCOC2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882011 UPPSVADCPNKPLT-MRXNPFEDSA-N 417.510 1.790 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCO[C@H]3c3ccc(O)nc3)CC2)nc1 1477759798 GDVHRQNXJUWBKH-XLIONFOSSA-N 408.462 1.852 30 10 HDEE C#CCN(C(=O)NCc1ccc(S(=O)(=O)CCOC)cc1)C1CCN(C)CC1 1478431017 JFKYTPXKJNRELN-UHFFFAOYSA-N 407.536 1.346 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(O)nc1=O 1479615492 PGWKAKYLWSPGQU-UHFFFAOYSA-N 414.441 1.572 30 10 HDEE Cc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(O)CCS(=O)(=O)C1 1492557326 GUYDAUMNXNOSEK-LIRRHRJNSA-N 403.508 1.399 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1496226140 GTFDPORXNNHHPQ-YJBOKZPZSA-N 412.494 1.987 30 10 HDEE CCO[C@@]1(c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1502695071 ISDPHXCVWAHPIK-DHQBXBPASA-N 416.482 1.057 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1507531865 ALQIKLRHIYQKRS-SJLPKXTDSA-N 410.522 1.676 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nnc2n1CCC2)[C@@H]1CCS(=O)(=O)C1 1507621538 BQLPPUWAFUIEDW-HUUCEWRRSA-N 417.539 1.004 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC1CC1 1507653804 RIHUAEOURJWSIW-LJQANCHMSA-N 405.458 1.390 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2c(C)noc2C)CC1 1507716743 UERYBRNGOFFJIV-UHFFFAOYSA-N 411.510 1.117 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2nnc(CC)s2)CC1 1507734061 QFFOSBBORZKKML-UHFFFAOYSA-N 401.540 1.830 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507844903 RYHXZMAHGXYRIQ-CVEARBPZSA-N 404.471 1.644 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(CO)c2)CC1 1507898309 WVGLZDOLBMMEKR-HNNXBMFYSA-N 419.551 1.831 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1 1508036483 PGWYZLLXLDABMW-GOSISDBHSA-N 418.542 1.411 30 10 HDEE C=CCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1[C@]1(OCC)CCOC1 1508068224 VJAXMJUMACAYSN-NRFANRHFSA-N 409.494 1.709 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1Cc1ccccc1 1508071616 KWCGSKMHTQBWRR-GOSISDBHSA-N 410.522 1.930 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H]3OC(=O)O[C@H]3C2)n1Cc1ccc(C#N)o1 1509659934 VEVLNZDIQOEQEY-KGLIPLIRSA-N 400.395 1.043 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(N(C)C)cc1 1509693947 JZFNCGFTFACKFD-GOSISDBHSA-N 411.510 1.454 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCn1cnnn1 1513358490 JYYFDPRACHPJDH-UHFFFAOYSA-N 414.518 1.403 30 10 HDEE CCCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1514538610 ALCWIXCONANNBN-DLBZAZTESA-N 401.515 1.222 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1516978800 ALKFPXDAXMHNLV-UHFFFAOYSA-N 413.526 1.590 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)C1=O 1520755510 RVWZNNVGTSJWLC-CYBMUJFWSA-N 410.471 1.019 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCCC2)CCO1 1521122010 RPFHIVNWZOSNCQ-KRWDZBQOSA-N 402.499 1.592 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1cccs1 1522341696 AAWCLJGQADXIGO-SUJAAXHWSA-N 403.504 1.317 30 10 HDEE Nc1c(O)nc(O)nc1C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1536952424 CZSQEBTVNJECJY-ZXZARUISSA-N 422.232 1.713 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N[C@@H](CC#N)C(F)(F)F)cc2S1(=O)=O 1538122955 NHVCRNSPIKPGDQ-LBPRGKRZSA-N 405.354 1.052 30 10 HDEE C#CCCCn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1539141665 XEFORXZJZZUWPV-VXKWHMMOSA-N 417.554 1.645 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1539215806 JJUYFRJRPNNFTR-INIZCTEOSA-N 422.580 1.447 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540036221 KZXMQQYBCFXSCN-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccnc1N1CCOCC1 1540744598 GHDSNRWBKLNKII-KRWDZBQOSA-N 402.495 1.841 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1540870137 FXXLHBFEGYZDIS-AEFFLSMTSA-N 402.543 1.395 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](NC(=O)OC(C)(C)C)C1 1540875719 WBJJOPPTUABVGD-HNNXBMFYSA-N 422.530 1.610 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@@H]1N1CCOCC1 1544713979 LTXIUDGMYLPGEK-OPYAIIAOSA-N 423.565 1.924 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1555556339 CMOBULNEECGZPP-LAUBAEHRSA-N 414.510 1.988 30 10 HDEE C=CC(C)(C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1556592914 IVRFLTXLKAZAOY-QLFBSQMISA-N 400.541 1.985 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3nc([C@H]4CCCO4)n[nH]3)CC2=O)cc1Cl 1557238970 HTQHPAJHEIYUKT-SWLSCSKDSA-N 414.853 1.851 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1557719231 UWNOCFUGHPMVNU-QFIPXVFZSA-N 421.432 1.787 30 10 HDEE C=CCCC[C@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OC 1558383351 LGHOWGRJHHLSLF-HNNXBMFYSA-N 416.521 1.731 30 10 HDEE N#Cc1cn(CCC(=O)NCCOCc2ccc(Cl)cc2Cl)c(=O)nc1O 1567047582 ZKZPCHXTLCYOON-UHFFFAOYSA-N 411.245 1.850 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1569044262 PYKMAWXLIWMWQJ-SJORKVTESA-N 417.510 1.448 30 10 HDEE COCCC1(NC(=O)[C@@H](C)n2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)CC1 1583112937 KDDNICQQABXOKV-CQSZACIVSA-N 406.487 1.633 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)CC1 1585004611 RGLJPLYSPRMENE-IBGZPJMESA-N 403.429 1.380 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)n1 1586565467 QKPALZHXTSRSGD-KRWDZBQOSA-N 402.495 1.445 30 10 HDEE CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1587067941 COCQFHCVKJHDSM-CQSZACIVSA-N 406.487 1.996 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC)C1 1587755290 XOYOXUSWCLZASZ-HNNXBMFYSA-N 401.467 1.661 30 10 HDEE C#CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1587894038 MYZSMAAESCDMLJ-LAUBAEHRSA-N 416.526 1.384 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1([S@@](C)=O)CCC1 1588258806 JBAKNQSTMIKWKR-ZQWKUMLXSA-N 418.563 1.766 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1588271252 GPCOFBDTVADNMU-MRXNPFEDSA-N 401.515 1.828 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)N2CCCC2)CC1 1588848973 SVOHBPXTBNUMAS-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C/C=C/CC)CC1 1588884999 QKZNNPQHGIRGMH-VMPITWQZSA-N 421.505 1.857 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1593695373 DZRDFRZYCMYZRD-NVXWUHKLSA-N 418.542 1.504 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1595776797 FUPQSKSAGILQEM-DLBZAZTESA-N 415.519 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccco1 1595824022 VFJYOMMQSPKHTE-UHFFFAOYSA-N 418.523 1.970 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1611285870 ATKYJQPLKCVQIW-ZDUSSCGKSA-N 417.901 1.688 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)N(C)C 1611511146 KQUPYMSPAXYHNC-QVKFZJNVSA-N 409.494 1.798 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1cnn(C)n1 1614028384 BMHNIZSRCOACSW-UHFFFAOYSA-N 406.498 1.195 30 10 HDEE CCCCN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1614492645 XWUWVKFFMQHCTN-QFPXGYFVSA-N 402.499 1.935 30 10 HDEE CCN(CCC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1615608381 FGXGCZLRRCJGNP-ZZEZOPTASA-N 424.509 1.831 30 10 HDEE CCO[C@]1(c2nnc(N(CC)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CCOC1 1616169359 JSGOXHUOTZFIMW-UAMJFUFUSA-N 418.498 1.303 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 1618221710 NWVYXNXYALDSFM-MRXNPFEDSA-N 402.451 1.424 30 10 HDEE COC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1619702543 GZRHHORJDWIDGR-SFHVURJKSA-N 422.493 1.883 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1620315073 SKOCKAYFSOAYSV-UGKMNXKKSA-N 423.477 1.480 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(c4cccc(F)c4C#N)CC3)CCC2=O)cn1 1623734381 SKOBQOAORXRKRM-HNNXBMFYSA-N 410.453 1.523 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CCCN(CC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1624251886 MGNDPOXAHVLGAI-KBPBESRZSA-N 416.902 1.757 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCc3nn[nH]c32)cc1 1626004282 OLCAJCQYMBMXAN-DJFNHCPNSA-N 402.480 1.676 30 10 HDEE CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 1628786217 AHHFANDNTYVZKX-UHFFFAOYSA-N 412.381 1.921 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1S(=O)(=O)N(C)C 1629122155 BOIJDBGCMWVFDP-INIZCTEOSA-N 423.535 1.860 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)c2ccc(F)cc2F)cc1S(=O)(=O)NCC#N 1630129461 CJOUIQBQJZZSFA-INIZCTEOSA-N 409.414 1.539 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(Cn3cc(N)c(C(F)(F)F)n3)cc2)CC1 1631231054 HDRXPGVHYXRFJJ-UHFFFAOYSA-N 420.395 1.730 30 10 HDEE CN1CCn2ncc(C(=O)N[C@@H](C#N)c3ccc(C(C)(C)C)cc3)c2S1(=O)=O 1632842057 HMNFNAWXOPMTNM-INIZCTEOSA-N 401.492 1.809 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OC3CCCC3)c(OC)c2)CC1 1632961219 UOSCEMYMUNJQOY-UHFFFAOYSA-N 421.519 1.242 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCC(c2ccc(C#N)cn2)CC1 1633498792 OMLIDQDMOULSBW-UHFFFAOYSA-N 400.479 1.755 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(CC(N)=O)cccc3C2)c1 1635501529 KEORUXGYXUXGNE-UHFFFAOYSA-N 415.446 1.349 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)C(=O)OCC 1636837786 JFIFVNAIWBMKAC-XIRDDKMYSA-N 412.508 1.037 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(C)(C)C 1637513832 QHWOEWJGUHISMM-AWEZNQCLSA-N 419.482 1.533 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 1638182991 HMXIWYGKIDIGOQ-DLBZAZTESA-N 400.410 1.728 30 10 HDEE N#Cc1cn(CC(=O)N2CCCC[C@@H]2c2ncc(-c3ccccc3)[nH]2)c(=O)nc1O 1638736475 IRJXSGSOXPTZBC-QGZVFWFLSA-N 404.430 1.964 30 10 HDEE CN(C)c1noc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1639173817 KQBRXMQVHGMGQG-FWHMADFJSA-N 404.471 1.539 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)CC1 1639644475 QRDGBSWAFHPXDM-HNNXBMFYSA-N 416.478 1.854 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](N2CCC2)[C@@H](F)C1 1640005215 FTEVVNMWSOEQTD-HOTGVXAUSA-N 408.499 1.150 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)C1CSC1 1641189222 XHRNHLIAXRFVLX-UHFFFAOYSA-N 409.352 1.366 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN(c3cnccc3C#N)CC2)c1I 1641699183 UJASRTCBKQHWOU-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1 1642726052 VFSSVKLILJOLFR-UHFFFAOYSA-N 419.453 1.839 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 1644582486 JQICTLKOEQOCPL-MRXNPFEDSA-N 403.552 1.631 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(S(N)(=O)=O)c(Cl)c3)C2)nc1 1645088545 XCJQWHYUQXQCAW-CQSZACIVSA-N 419.894 1.971 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)CC2=O)cc1 1645144233 ZOLPHXZOBYTHAL-CVEARBPZSA-N 401.488 1.527 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC3(CC2)C[C@H](O)CCO3)ccc1F 1645201298 OIQDBKSUGOZFHC-OAHLLOKOSA-N 412.483 1.436 30 10 HDEE C#C[C@@H](NS(=O)(=O)C1CCS(=O)(=O)CC1)c1ccc(Br)cc1 1655458696 FBQGKDIWFPQVFU-CQSZACIVSA-N 406.323 1.620 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1C[C@@H](C(=O)OC)[C@H](c2ccc(F)cc2F)C1 1655737826 BPEXSPBTJAMUMS-LSDHHAIUSA-N 401.435 1.634 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)C[C@H]1C(=O)OC 1655866938 UEEBOTDTZSJIKC-LERXQTSPSA-N 405.476 1.329 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc3nc(O)[nH]c3cc2Br)CC1 1657039992 YLRWRQVBRCPZGB-UHFFFAOYSA-N 413.297 1.407 30 10 HDEE Cn1nccc1[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CCO1 1657202457 BYISNYDDVAUECY-AWEZNQCLSA-N 411.281 1.816 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3snc(C)c3C#N)CC2)c1 1658834187 YVLPEENKSVCNDB-UHFFFAOYSA-N 408.487 1.775 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC3CC2(CNC(=O)OC(C)(C)C)C3)CC1 1659417151 GHCFZOBLCLBDGK-DKTYTTGXSA-N 419.570 1.668 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)cn1 1664349034 LNKQDDGOOHOMMS-UHFFFAOYSA-N 408.549 1.761 30 10 HDEE C#C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)c1ccc(Br)cc1 1683513144 XYXLYZSTJNKGEH-BBRMVZONSA-N 407.312 1.885 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCOCC2)CC1 1689824341 NENCQOOLJFYFIK-MRXNPFEDSA-N 409.494 1.248 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCCNS(=O)(=O)CC 1689845200 SDRILLUQPBMMAZ-HNNXBMFYSA-N 405.524 1.741 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941276 LJKDEWZOWGRORM-UZLBHIALSA-N 403.483 1.373 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCc2ccn(C)n2)CC1 1690130839 NXVOUSMZOXFFGD-UHFFFAOYSA-N 403.534 1.795 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690186873 WMPDZRDFFRAEQJ-HUUCEWRRSA-N 413.569 1.014 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CC)C1 1690190345 RUSUVVNTCMENNE-JTDSTZFVSA-N 408.572 1.222 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1690506563 RQSVWYUMTWTVSE-UHFFFAOYSA-N 411.514 1.779 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1690515930 XJVLLUDGJHDCKA-CQSZACIVSA-N 403.512 1.560 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690524611 OZVTVASKSRTHLI-OALUTQOASA-N 410.522 1.466 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1690659639 YXDXKLAJYOYGMH-UHFFFAOYSA-N 415.498 1.399 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[C@@H]2COCCO2)CCOC1 1690995496 JRXPJSSMEKCMTP-MBOZVWFJSA-N 407.515 1.720 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1691001586 LAJJPFVBWOIZQO-KBPBESRZSA-N 405.503 1.740 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1694264929 FUFMEMOXZIWZFB-GJZGRUSLSA-N 412.498 1.826 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCOC2)nnc1N1CCC(F)(F)CC1 1698521035 YNABFFBDGKSDBA-PERWBAPNSA-N 422.436 1.544 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1705550203 UQLJADXZUIZZIR-QAPCUYQASA-N 422.489 1.313 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1705567700 YMAPRHKIUXIGBB-HNNXBMFYSA-N 423.583 1.266 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1705636275 DLNKHVQDHKZEQW-VGSWGCGISA-N 411.506 1.249 30 10 HDEE C=C(C)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCNS(C)(=O)=O 1705722926 PEDFNFXZEQOIMF-UHFFFAOYSA-N 417.333 1.597 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1705830504 RDMPAXVMIVTIJI-OALUTQOASA-N 416.526 1.867 30 10 HDEE CCS(=O)(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1710853852 WHUYRAHXGGFAFJ-CQSZACIVSA-N 419.507 1.698 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)C1 1711426375 SLHHQIIEIZCMIW-CQSZACIVSA-N 412.450 1.416 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1722361544 ZOZGKUIGMQFXRL-MRXNPFEDSA-N 415.475 1.818 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CCOCCS(C)(=O)=O 1722376736 BOBAODFIBXISCD-UHFFFAOYSA-N 421.910 1.128 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1722396085 FRMVXTUCJJPJPD-HNNXBMFYSA-N 403.533 1.456 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1nnc(C)s1 1722403200 NESYUPLYYBQVGY-WMZOPIPTSA-N 414.535 1.868 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1722418002 AQYDUMWBLSNSBM-FMQUCBEESA-N 408.437 1.892 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1Cc1cccc(S(=O)(=O)NC)c1 1722419151 PRDRFZOJHNYRGL-UHFFFAOYSA-N 419.551 1.618 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1722459816 RUWCRGIRYGBYCD-QGZVFWFLSA-N 413.551 1.655 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)(C)C)C1 1722708985 HLPREYNBWVCSCW-INIZCTEOSA-N 418.542 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@@H]2C)C1 1722720621 NBDUTOSHCVCURQ-FVJLSDCUSA-N 403.527 1.733 30 10 HDEE CC(C)NC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1723652136 KPVSHGXMRHZVQU-LEWJYISDSA-N 418.542 1.973 30 10 HDEE Cc1ncsc1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1724097928 APTWGIQKVGJOHF-AAEUAGOBSA-N 411.557 1.492 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1725008103 IMIWCAPXPIGVSH-CYBMUJFWSA-N 406.512 1.886 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1728779872 DIXMOPYMKKPYFC-FVJLSDCUSA-N 419.526 1.600 30 10 HDEE CCOCc1nnc(N2CCN(Cc3cc(C)on3)CC2)n1Cc1ccc(C#N)o1 1729076990 CCNPNENOKFWFIS-UHFFFAOYSA-N 411.466 1.946 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N(CCC#N)CC2CC2)n1 1729606946 VDSSNTGDXTZRKX-UHFFFAOYSA-N 413.436 1.849 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCN2CC=CCC2)c1 1731178577 BJHZRQPRKWEHHK-IBGZPJMESA-N 405.506 1.780 30 10 HDEE C=CCCC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1735496547 KOSBPXTZWUOWCD-OQPDCJGNSA-N 403.523 1.380 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1740546145 GEIKGIUQAHLDEV-ZJYNUGOYSA-N 405.462 1.633 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1C[C@@H](C)CN1CCN(CC)CC1 1740658817 GEORBWZNKDFUEE-LEWJYISDSA-N 412.582 1.866 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)CCS(C)(=O)=O 1740720591 DWRXXEAPBQZQMV-UHFFFAOYSA-N 413.594 1.481 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CCCN2CCOCC2)CC1 1740946391 MSAJNKUJWYPSAR-GOSISDBHSA-N 402.543 1.744 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCOCC2)C1 1743175800 FDYYXACCFRYBHD-MRXNPFEDSA-N 424.505 1.857 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748802716 RNUBYTAAGWOJCJ-CQSZACIVSA-N 407.565 1.902 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1748820007 XAEWEUHAKJQVBG-GOEBONIOSA-N 408.549 1.592 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCN(C(C)=O)C1 1748959051 MAPUCHSCSGNWOM-LJQANCHMSA-N 410.522 1.993 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCCCC1 1748961278 ZWBYRCVJUBRWEN-KRWDZBQOSA-N 402.543 1.580 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C)C(=O)[C@H]1C 1749115730 VMKJPEYORZYJEC-ZACQAIPSSA-N 416.526 1.162 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749228722 CBYMZAKVQABZGW-INIZCTEOSA-N 414.510 1.421 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1749484980 MEMHDEQGNQNOSN-HXUWFJFHSA-N 424.549 1.856 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCSC(C)(C)C1 1749683010 GNXAUUSMYSPESH-HOCLYGCPSA-N 409.556 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)C(C)(C)C)C1 1749712802 LTTLYVBOVMQFOV-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(c2cnn(C)c2)CC1 1749731804 KTSHONTUIABNCB-UHFFFAOYSA-N 404.540 1.874 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)OC)CC1 1749760128 CNJBQHHGLADZEH-UHFFFAOYSA-N 407.540 1.709 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCOC2)CCO1 1750388215 LYOUWEKCPXNZKE-DJJJIMSYSA-N 405.405 1.027 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3oncc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1752734478 LBVDGNMFVDWEAC-HDRCJFCASA-N 411.466 1.869 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OCC)c1ccccc1 1760162725 FKNVBJPJEOFZPW-NVXWUHKLSA-N 405.524 1.736 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[C@H]2COCCO2)CC1 1760257640 CHMOEDSHDPDXGV-SFHVURJKSA-N 411.506 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760269036 WCVVZYMQEOWMSL-WMZOPIPTSA-N 423.521 1.252 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CCOCC 1760306091 BLNQGKBSQXYUBC-ZDUSSCGKSA-N 421.361 1.952 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1760527561 ALJGBGCKPQMOGC-UHFFFAOYSA-N 400.439 1.588 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC(F)(F)F)C1 1760543320 RPLLYMUEWIAEHF-QWHCGFSZSA-N 403.405 1.937 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCO[C@@H]1C 1761020875 TZAJIGLQTVRKMN-SZNDQCEHSA-N 412.494 1.551 30 10 HDEE CC(C)COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1761150421 XDMRLLNVHOIWAC-QGZVFWFLSA-N 409.556 1.983 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1769984364 HZYKNNKEBUZDJA-UONOGXRCSA-N 403.439 1.514 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1 1770341802 BIICDTDNGYGZMW-UHFFFAOYSA-N 406.512 1.464 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3cccnc3)nnc2N2CC[C@](F)(C#N)C2)C1 1770342579 DQVMXFFULLKCNV-KSSFIOAISA-N 419.486 1.064 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOCC2CCOCC2)CCO1 1770746581 BTTOURNUZGNNRE-MOPGFXCFSA-N 419.526 1.734 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)COCCO1 1772842595 UOVVAQJVILVCHT-DJJJIMSYSA-N 402.455 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3c[nH]c4cccc(C#N)c34)CC2=O)C1 1774180485 OKSCWZRXJGIIKE-AWEZNQCLSA-N 423.473 1.990 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#CCN1CCCCC1 1850306614 SDLCHHVLENFMCC-IBGZPJMESA-N 420.579 1.398 30 10 HDEE CCOc1ccc(CN2C[C@H](C(=O)N=c3nc(C)[nH]cc3C#N)CC2=O)cc1OCC 1851630115 RMHFXGOMFBRNBX-MRXNPFEDSA-N 423.473 1.863 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(O[C@@H]4CCOC4)nc3)CC2)nc1 1853281392 RQPHFRHRDBDXOH-LJQANCHMSA-N 423.473 1.495 30 10 HDEE CC(C)(C)C(=NOCCN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853489469 SXTZQNWBGNPRJB-UHFFFAOYSA-N 424.523 1.168 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3noc4ccc(C)cc34)[C@H](C)C2=O)CC1=O 1853618202 YOUPLOQFNISTGF-CVEARBPZSA-N 410.474 1.730 30 10 HDEE CN1C[C@H](CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)CC1=O 1853849874 YSAJOURBTDSVFP-YLJYHZDGSA-N 408.502 1.737 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C(=O)C1 1853947699 ZQNHAIMXDDVUOI-MSOLQXFVSA-N 409.467 1.721 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@@H]1C 1854283021 UPLGIDJTBIDPEL-KBPBESRZSA-N 402.520 1.404 30 10 HDEE COc1ncccc1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854292874 UUZDUGZDVRSPSS-QGZVFWFLSA-N 407.430 1.251 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1854741447 GWABZAJHHVHBPY-INIZCTEOSA-N 407.536 1.824 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855064755 NERZGOQBHKBGSG-RDJZCZTQSA-N 409.490 1.626 30 10 HDEE C[C@@H](C(=O)N1CCCC[C@H](N2CCC(C#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1855598200 ROZYRXBFCWBRMM-KXBFYZLASA-N 411.506 1.825 30 10 HDEE CON(C)C(=O)C1CCN([C@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CC1 1855721319 JJSPCOQVEYPWHN-IBGZPJMESA-N 412.490 1.811 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C(=O)CCN(CCCC#N)c3ccccc32)CC1 1856073966 KNQKDXZYALDPGT-UHFFFAOYSA-N 418.519 1.732 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccn(CC)n1 1856099390 WCEZPXZYIOWBKT-UHFFFAOYSA-N 402.476 1.829 30 10 HDEE Cc1cccn2c(=O)cc(CN3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)nc12 1856487070 AKPZVYKWIRFNNV-UHFFFAOYSA-N 401.426 1.359 30 10 HDEE CC(C)c1cc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)no1 1857146357 DRAAIPPLMHTWTB-MRXNPFEDSA-N 409.450 1.021 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4nc(C)sc4C3)CCC2=O)CC1=O 1857436184 USKKQGBOHYDGKM-HOTGVXAUSA-N 416.547 1.609 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(CC)nn2C 1864323955 UUHUTAVNHXYNLO-QGZVFWFLSA-N 412.490 1.741 30 10 HDEE O=C([C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21)N1CCC(O)CC1 1869927780 APWJGWGDIHMCOI-GOSISDBHSA-N 413.499 1.320 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1OC 1870149850 QYRBHBBWNOIQLJ-GFCCVEGCSA-N 412.450 1.742 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3C[C@H](C)O[C@H](C)C3)ncnc21 1873594369 SNCOUKKXSAHDEB-GASCZTMLSA-N 409.494 1.927 30 10 HDEE C=CCn1c(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2c(NCCOCCO)ncnc21 1875230935 TYTCVBZAZYTXIS-GJZGRUSLSA-N 403.483 1.288 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)CC[C@@H]3CCCO3)CC2)CC1 1890010677 WMLRHCIRYRBKDT-NRFANRHFSA-N 405.583 1.983 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H](COc2cc(C#N)ccn2)C1 1891702944 RCOUNENRYAUCQA-IRXDYDNUSA-N 406.508 1.385 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCC[C@@H](N(CC(F)F)C(=O)C(F)(F)F)C1 1964016898 HGAHVNBETVEEFG-SNVBAGLBSA-N 405.389 1.986 30 10 HDEE C=CCC1(C(=O)NCCn2ncc(Br)n2)CN(C(=O)OC(C)(C)C)C1 2060602427 CUICLLVYDCDZBF-UHFFFAOYSA-N 414.304 1.970 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(NS(=O)(=O)CC2(C#N)CCC2)CC1 2174786793 NJABGZFQLHEDLU-UHFFFAOYSA-N 400.545 1.589 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CCC[C@@H]2C(=O)N[C@H](CS)C(=O)O)CC1 2180244657 RMCCHOJJBNOCAA-ZIAGYGMSSA-N 401.529 1.350 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)[C@H]21 2243697198 HHVCIXXTWCJJCT-RRFJBIMHSA-N 406.288 1.372 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822898 JPRFZBRKOXAZKG-STQMWFEESA-N 420.319 1.837 30 10 HDEE CCN(CCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C(=O)OC(C)(C)C 2247910765 OZKGGTQLSTXYJM-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CS[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267374185 NXLBKWRIXMPQMS-GHMZBOCLSA-N 405.372 1.456 30 10 HDEE C[C@H]1CSCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703635 YUCDWNXTAFRWNG-NSHDSACASA-N 404.388 1.709 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC34CC(O)C4)cc2Cl)OC1(C)C 2282309995 NVSZJRYGUDZSJP-JRKQCGKRSA-N 419.761 1.892 30 10 HDEE Cc1cc(S(=O)(=O)NCCC[S@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282317045 LQMOZIBWTQHWKR-VWLOTQADSA-N 401.359 1.341 30 10 HDEE CCN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335305 NUFZDPBPWZIPJB-ZIAGYGMSSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H]2CCCCC23OCCO3)OC1(C)C 2282339108 SBAQDPCRPXEPLD-KRWDZBQOSA-N 423.340 1.950 30 10 HDEE CC1(C)C[C@@H](N)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353414 VDBQONNOROYUIQ-LBPRGKRZSA-N 400.375 1.938 30 10 HDEE C[C@H]1C[C@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493207 RYGKPDKORHPXFR-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282502767 PNKDWHXKJRDCKV-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@](C)(CO)C2CC2)OC1(C)C 2282505540 FVBOHIDSFQBUTO-KRWDZBQOSA-N 401.359 1.628 30 10 HDEE C[C@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)N(C)C 2282828348 MRMZPRSLDZPGIX-GFCCVEGCSA-N 402.753 1.868 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCOCCF)OC1(C)C 2282830528 VWSUPKGBOBGAQN-UHFFFAOYSA-N 407.700 1.904 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCC[C@H](C4OCCO4)C3)c(O)c2)OC1(C)C 2282873473 LVLXGKPXNQQPHU-AWEZNQCLSA-N 403.284 1.917 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1C 2284412676 WYCGSTIEFYRNDR-UHFFFAOYSA-N 403.331 1.312 30 10 HDEE CCCOC(=O)CSc1nncn1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321347152 LYTWMCVLIJZZSW-UHFFFAOYSA-N 407.408 1.885 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](NCC#CBr)(C(=O)O)CO2 2324779977 PWTJQERYHPSXBF-KRWDZBQOSA-N 417.300 1.945 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@@H]2CCN(S(C)(=O)=O)C2)OC1(C)C 2364907589 KSORKYZHKXELID-GFCCVEGCSA-N 401.725 1.480 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2365201704 KGRNTHTWOIOGMV-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2365210713 JFQNIJFHXOQDIC-JKSUJKDBSA-N 402.557 1.675 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC2)C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211364 NNBOFTZIZBYFPK-KUHUBIRLSA-N 400.541 1.292 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367834109 OXNLNANWAOEMMW-RLFYNMQTSA-N 402.557 1.585 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CC[C@@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377200141 ZKLMJYUEDXTEMK-FZKQIMNGSA-N 402.513 1.562 30 10 HDEE CC1(C)CC(=O)C(=CN2CCNC(=O)[C@H]2CC(=O)OCCc2ccccc2)C(=O)C1 10120774 OHFOMNOLFLBYDN-GOSISDBHSA-N 412.486 1.805 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 12806914 RVZZSHHUNZMDFG-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3ccccc3O)n2N)cc1 20527318 KHUVHVCRBFPTPF-SSDVNMTOSA-N 411.491 1.860 30 10 HDEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)cc1O 59814947 JMOPDIKCPAAIQY-REZTVBANSA-N 403.424 1.992 30 10 HDEE CCn1c(C2CCN(CC(=O)Nc3ccc(C#N)cc3)CC2)nn(CCOC)c1=O 77153301 CHUDUPJIFDRTHZ-UHFFFAOYSA-N 412.494 1.401 30 10 HDEE NS(=O)(=O)c1ccc(CN/C(=N\c2ccccc2)S[C@@H]2CC(=O)NC2=O)cc1 105612146 RWFGFDVKNVHVAW-OAHLLOKOSA-N 418.500 1.260 30 10 HDEE CN(CC(=O)N[C@H](C#N)c1ccc(F)cc1F)S(=O)(=O)c1ccc(C#N)cc1 111219283 ZXISRLSOLKKWQR-QGZVFWFLSA-N 404.398 1.838 30 10 HDEE CC(C)(C)OC(=O)N(c1nc(B2OC(C)(C)C(C)(C)O2)ccc1C#N)C1CNC1 309866205 MQOMXWBWQRHLNX-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccccc3)c(C#N)c2)CCN1CCO 427400107 SDSBPVPMKAGJFF-MRXNPFEDSA-N 408.458 1.814 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 438081664 ZYEOBDJZVZLPCC-MJGOQNOKSA-N 418.519 1.555 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2nc(CC(F)(F)F)no2)CC1 441164070 FSFOPWAVFXRKAO-UHFFFAOYSA-N 415.397 1.553 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2c(F)cc(C#N)cc2F)c(=O)n1C1CC1 447283208 QEOTWYIQIUGSJE-UHFFFAOYSA-N 412.421 1.176 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 460949008 KRFRNEFJEMZVSX-UONOGXRCSA-N 402.524 1.936 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)cn1 461744296 FTAJSZLKIBYRJP-UHFFFAOYSA-N 422.879 1.771 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461748182 TYWKLRWDJNMOTN-AWEZNQCLSA-N 410.459 1.753 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2nc(-c3cccc(F)c3)no2)CC1 466449404 RCMYEMCNYPHZNA-AWEZNQCLSA-N 416.457 1.566 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 469880266 KTUQLADMHPWVLR-OIISXLGYSA-N 405.476 1.292 30 10 HDEE CCOC(=O)C1(O)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 471174799 CUYYLDSOPSUAFA-MRXNPFEDSA-N 403.479 1.720 30 10 HDEE Cc1ccncc1N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 478190645 ORJXHDFBDKWBSJ-LJQANCHMSA-N 424.574 1.983 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 504552970 FGPBVDSQWRLTER-IAGOWNOFSA-N 420.425 1.719 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@]2(CNC(=O)C2)C1 508496245 CZVDZEQYZAMODH-HXUWFJFHSA-N 405.466 1.213 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 508913516 OXBPTNCUKHCNIU-NRFANRHFSA-N 422.493 1.881 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)CC1 508922158 OUJGUESGJXCVSQ-UHFFFAOYSA-N 401.540 1.709 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)c1 515934086 ZEKNDNLBOZNJDD-RBBKRZOGSA-N 413.543 1.805 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(CC)CC)cc21 526845632 RJLHKNHMYYLGNN-SUMNFNSASA-N 406.504 1.786 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 532901886 RJYNJMUIATZBSI-UHFFFAOYSA-N 415.501 1.620 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)ccc2C)c(=O)n1Cc1ccccc1 537566287 JHWKSOPVVFFIJO-UHFFFAOYSA-N 407.470 1.655 30 10 HDEE COc1cccc(-c2nc(=NC(=O)N(CCC#N)CCN3CCOCC3)s[nH]2)c1 541757359 WKXSUAZTIABASI-UHFFFAOYSA-N 416.507 1.715 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3n[nH]c(C4CCC4)n3)CC2)cc1 546150315 GYWZDPZKDFWHKU-UHFFFAOYSA-N 414.491 1.983 30 10 HDEE Cn1nc(O)c2c(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc(C3CC3)nc21 546902442 IVSDSQJFJADCJW-UHFFFAOYSA-N 403.446 1.780 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC1 547453166 XLJZNUBRPNSSQG-UHFFFAOYSA-N 404.470 1.510 30 10 HDEE CN(C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)[C@@H]1CCN(S(C)(=O)=O)C1 557437853 BDYUHOWLXTUALV-MRXNPFEDSA-N 400.460 1.851 30 10 HDEE CSc1nc(O)c(C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)cc1C#N 560910335 RGFNRCFNJRHGAZ-UHFFFAOYSA-N 407.473 1.593 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H](CC(=O)O)C2CCOCC2)cc1Br 562417624 WZLRNZABUQZALF-CQSZACIVSA-N 417.281 1.869 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CCOC)[C@@H]1CCOC1 583840589 GIYYEVBMMDDPJW-OAHLLOKOSA-N 410.478 1.620 30 10 HDEE COc1ccc(S(=O)(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1F 585227219 SDQGOPPSBYCMJY-UHFFFAOYSA-N 405.455 1.691 30 10 HDEE N#CCN1CCC(NC(=O)C(=O)NCc2ccc(OCc3ccccn3)cc2)CC1 585709781 HVILDMCUXBYQJG-UHFFFAOYSA-N 407.474 1.381 30 10 HDEE COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 619105680 GRBKRQXQRVBCNW-SFHVURJKSA-N 419.485 1.972 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc(OCC#N)cc2)CC1 728954035 HBDISVKVWSIYCZ-KRWDZBQOSA-N 413.522 1.863 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 729332392 WHKKJTQMZXTMNC-KRWDZBQOSA-N 424.544 1.124 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cccc(-n3cncn3)c2)cc1OC 734706560 MLDPUUPLRASJEW-SFHVURJKSA-N 419.441 1.966 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 747335465 BVMFOASETKSJEF-UHFFFAOYSA-N 411.487 1.141 30 10 HDEE C#CCN(CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 750825739 JHFNTUFXKGHQGS-CQSZACIVSA-N 420.350 1.345 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NC[C@@H](O)C(=O)O 757471184 ODFPZPDYYJCQOC-LJQANCHMSA-N 408.410 1.090 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc3c(cc2OC)OCO3)c1 759020205 FBHBLFROFGNHIZ-UHFFFAOYSA-N 422.437 1.911 30 10 HDEE C[C@H]1C(=O)Nc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2N1C 760389186 VNAYYVGYCQQDIU-ZDUSSCGKSA-N 404.492 1.997 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)Nc1cc(-n2nnnc2C2CC2)ccc1F 761190242 CSUOLUYTPKNZDM-UHFFFAOYSA-N 409.381 1.684 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774191268 GOPMVBIKEHXOPZ-FUHWJXTLSA-N 405.520 1.353 30 10 HDEE CCOC(=O)c1cc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc(S(C)(=O)=O)c1 780966111 XMAAJUYKBHMZRT-QGZVFWFLSA-N 402.428 1.811 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)C2CCN(c3cnccn3)CC2)c1 790215967 VOFXCQLVPNBXSR-UHFFFAOYSA-N 413.503 1.129 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1oc(C(=O)N[C@@H](CO)CC=C)cc1Br 792323186 IYYFVFNCYOHCIZ-MNOVXSKESA-N 401.257 1.376 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 796097716 UYYYWGYKFRVMOJ-KRWDZBQOSA-N 406.529 1.850 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796853019 ZLBHENZDBYEUKM-GDBMZVCRSA-N 421.523 1.248 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 798081694 SOKOYQNWDOPIOT-KGLIPLIRSA-N 407.492 1.353 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1 800064196 SWXZEHFYKZNZNE-HZPDHXFCSA-N 410.496 1.311 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)[C@H](O)c2ccc(C#N)cc2)CC1 801551479 PDKBINQDRPLOFB-MRXNPFEDSA-N 401.435 1.109 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NCc1ccc(S(=O)(=O)CCO)cc1 805783525 YVKCBPXCGFFMMT-LJQANCHMSA-N 400.500 1.886 30 10 HDEE Cn1ncc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 807931930 LSTKFUHNOSSVCE-HNNXBMFYSA-N 402.455 1.755 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 812180592 YKJUVOKKAJIALX-CABCVRRESA-N 420.514 1.474 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(F)cc1[N+](=O)[O-] 814996202 MLGZVEPDLPVMFJ-SECBINFHSA-N 410.832 1.198 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cn(CCO)nc2C2CCOCC2)c1 856616614 KESLPTCOZYTXBL-UHFFFAOYSA-N 410.474 1.461 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1116540385 PSWJXBZSDSTXEQ-ROUUACIJSA-N 423.535 1.630 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2csc(I)n2)CC1 1128862093 YZWYKMFGGZTWDN-UHFFFAOYSA-N 405.217 1.667 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCOC(=O)CNC(=O)C(C)(C)C 1129156168 CLEOUAHIAFXPAT-UHFFFAOYSA-N 412.450 1.482 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1135509602 XFMRGJQVPUNTDY-UHFFFAOYSA-N 416.478 1.611 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@H](O)CNC(=O)OC(C)(C)C 1136487986 BOZZGSXUHDRDCY-SFHVURJKSA-N 404.511 1.724 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCn1c(=O)ccn(C)c1=O 1139874034 LPIAZFNHVXQEAV-UHFFFAOYSA-N 409.446 1.118 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 1147255094 JHTXQCRYXFXGBK-UHFFFAOYSA-N 409.471 1.634 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]13)C2 1179869989 ZARQBCCXSCINJV-HEHGZKQESA-N 405.549 1.812 30 10 HDEE C=CCC1(O)CCN(CC(=O)NN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)CC1 1197920423 CNKPUQMZOJTCSF-NRFANRHFSA-N 400.479 1.278 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C 1208475256 XYGMDGLDJNWDTH-CYBMUJFWSA-N 420.940 1.372 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N2CCCC2)C1 1214498804 WXRHRXOZTRLZTD-UHFFFAOYSA-N 420.535 1.529 30 10 HDEE COCCOC1(CNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCOCC1 1228684053 RQSULRCCVUOQML-UHFFFAOYSA-N 420.485 1.741 30 10 HDEE Cc1ccc(-c2nc(CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)co2)cc1 1248586780 CHOBSOULFKYTCR-UHFFFAOYSA-N 406.402 1.551 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCC2(C#N)CCCC2)CC1 1252573081 NEOUEUYZBIGCDV-UHFFFAOYSA-N 405.524 1.510 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)CC2)cc1 1253451119 JIGPAPXWUPBVCB-FQEVSTJZSA-N 410.522 1.676 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nnc(-c3cccc(C)c3)n2C1)[C@@H]1CCS(=O)(=O)C1 1264995450 GZTGITHZTVJGOA-QZTJIDSGSA-N 412.515 1.465 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1276481869 SFXQVDUXZOKNTG-NRFANRHFSA-N 411.462 1.855 30 10 HDEE CNC(=O)[C@H](CNC(=O)c1cnn(CCC#N)c1C)Cc1ccc(OC)c(F)c1 1277212818 BMTAAGLHPADQBV-HNNXBMFYSA-N 401.442 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CC(=O)NCCc1ccccc1 1286405436 CNKSXDBOLWZSAH-UHFFFAOYSA-N 400.486 1.715 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(C)nc(N2CCCC2)c1 1286407760 QPLPJPFJZBHAMT-LJQANCHMSA-N 417.517 1.654 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CC1CCN(C(C)=O)CC1 1286466368 XYZVVVCAQMTQBO-IBGZPJMESA-N 403.527 1.517 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2c(CC)nn(C)c2OC)CC1 1286474763 LADUGEYCHHFZJZ-UHFFFAOYSA-N 423.521 1.955 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286507556 BMOWCKKXDBNPEA-UHFFFAOYSA-N 404.584 1.244 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286532636 IBGTUBRILPKJJN-AWEZNQCLSA-N 421.299 1.590 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286610903 DBKLGRLFICTUHF-FUHWJXTLSA-N 403.527 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1286782446 VIDYBELPHWNSRH-LJQANCHMSA-N 405.506 1.793 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1286789275 DEBSJIPQHGJPOD-KRWDZBQOSA-N 415.542 1.115 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2ccsc2)CC1 1286792906 LCGUTQJRSNNMLG-UHFFFAOYSA-N 404.540 1.501 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@]2(O)CCN(C)C2)C1 1286811861 IYQASHMLDIZMEH-PXNSSMCTSA-N 418.567 1.482 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1ccc(C#N)cn1)C2 1288829313 OKHTWULSHIGGLJ-LRAJWGHMSA-N 414.462 1.872 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)c1 1297538207 WZYIAEUOVWNBLK-CQSZACIVSA-N 423.388 1.116 30 10 HDEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1298461181 OVUNXEGNYSMUBM-AWEZNQCLSA-N 424.523 1.646 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCN1CCCO 1300315345 VSSINWCAZRYUGI-QUCCMNQESA-N 421.549 1.821 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@](C)(O)CCOC 1300432271 FIZUUMXKJJUUEG-HXUWFJFHSA-N 419.913 1.718 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](c1ccccc1)N1CCOCC1 1300460281 QTDURRHNMGTEIB-HXUWFJFHSA-N 405.506 1.822 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCC[C@H]1CC 1300509482 MOFJMUOFBWAAHF-QZTJIDSGSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](c1ccco1)N(C)C 1300554001 XEQVJXALNHWJQA-BJLQDIEVSA-N 411.506 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCCC1 1300664335 QTZGZYVBIQJNBT-ROUUACIJSA-N 402.543 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](OC)C(C)C)CC1 1300726887 SOFPHLIOODMWTF-RTBURBONSA-N 417.554 1.809 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1300735075 BCKZKEDKVSPHDE-QAPCUYQASA-N 405.520 1.672 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1301261573 JHAPMTPMIQBXMQ-CVEARBPZSA-N 424.571 1.243 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](C(C)(C)C)C1 1301593227 KKONFHLVIWFEJL-HNNXBMFYSA-N 400.545 1.667 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301606967 ZUURLCBTNUFJAD-OAHLLOKOSA-N 415.523 1.665 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1 1302921599 LTRHYPVLGAODMI-UHFFFAOYSA-N 422.507 1.483 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270769 IKYBYEJYUNSSCI-XTDOFWJNSA-N 411.524 1.467 30 10 HDEE CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1305094129 PIRPWLYQSDZQPE-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1305202696 MJEOGURVJFRKOM-BZSIDJSBSA-N 402.524 1.699 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCO1 1305879831 AWQYKZUAZZTXJV-FQEVSTJZSA-N 407.482 1.899 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1309733615 QAUGTLUPHGDTGE-MOPGFXCFSA-N 408.520 1.993 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OC 1309864766 WRXRQUWNKJTSMM-CQSZACIVSA-N 413.448 1.436 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 1310131572 PKYXQPUDHZUGEZ-NVXWUHKLSA-N 413.540 1.773 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)C1 1313191623 XJJLKIXACGTLMT-SVMVAKDDSA-N 423.561 1.857 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1313546714 AUMNIYCNXQAICF-UHFFFAOYSA-N 411.510 1.646 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CCO1 1315006044 BJLTVOREBCMBQG-SFHVURJKSA-N 421.461 1.421 30 10 HDEE C#CCN(C(=O)NCCc1nc(Cc2ccccc2)no1)[C@H]1CCS(=O)(=O)C1 1351549726 NZRZSZFRTWBXBF-INIZCTEOSA-N 402.476 1.035 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1353198091 NEGOMRZNDSLLJB-HXPMCKFVSA-N 402.455 1.313 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1358873380 IIZXPFXNSCBDAR-CVEARBPZSA-N 401.515 1.826 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC1(OCCOC)CCOCC1 1358884869 YKVFZHPCYQYKIF-MRXNPFEDSA-N 402.499 1.349 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](C#N)C1 1358908157 NLBACCGFZCFOEV-GOSISDBHSA-N 403.450 1.453 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCC=C)[C@@H]1CCS(=O)(=O)C1 1358966606 SFIBEDKQIMJQKL-GOSISDBHSA-N 416.551 1.733 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358967777 RUSWYKSDVGMUQO-MDZRGWNJSA-N 410.540 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1cccs1)N(C)C 1358981748 WBEZKFAMXIURKF-QGZVFWFLSA-N 410.547 1.838 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1359023637 QJINLOBDQVKBNA-GOSISDBHSA-N 424.505 1.054 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC2(O)CCOCC2)CC1 1359038477 XRDNTEAXNYIZBA-UHFFFAOYSA-N 423.561 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(=O)NC)CC1 1359295224 UVODWLOQWKDVTH-UHFFFAOYSA-N 407.478 1.081 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1359297729 AAPIVIFDBVCJDN-DGCLKSJQSA-N 411.388 1.193 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCOCCN(C)C 1359471975 CZROYFIPWSMYIH-CQSZACIVSA-N 403.487 1.180 30 10 HDEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1359473711 GQSZHONYNPRNEO-SJORKVTESA-N 408.572 1.508 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC(=O)NCCN/C(O)=C1\N=CC=CC1=O 1443538832 UGHZIENIIWXMBT-RUIRWZRLSA-N 406.483 1.522 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](O)(/C=C\OCC)C(F)(F)F)cc1 1450342443 NZLHIMSORKBWMD-SLWQEBJJSA-N 420.409 1.172 30 10 HDEE CC(C)(C)N1CCc2nc(NC(=O)CCn3cc(C#N)c(O)nc3=O)sc2C1 1451873390 AMEVHQLVAFBVSA-UHFFFAOYSA-N 402.480 1.462 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NC2CCN(CC#N)CC2)cc1OC 1456122010 YRYGDPHMJSSNGB-OAQYLSRUSA-N 402.495 1.245 30 10 HDEE C=CCCn1cc(CNCc2ccccc2CS(=O)(=O)N2CCOCC2)nn1 1461043949 XCDJVTITVVZADV-UHFFFAOYSA-N 405.524 1.306 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F 1463606347 CJABGOIZMQVCKI-XPTSAGLGSA-N 421.288 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 1463659483 OMAXJKMPJWNCRZ-SFHVURJKSA-N 419.522 1.487 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1464304237 QYASXIRWAARXAZ-UHFFFAOYSA-N 424.363 1.592 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@]3(C)CS(=O)(=O)C[C@@]3(C)C2)c1 1464448459 WEQGDWAWMOJUQX-HDICACEKSA-N 412.533 1.048 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)Nc3ccccc3C2)s1 1469460818 IXGWBIUVTQFVHF-UHFFFAOYSA-N 405.501 1.736 30 10 HDEE C#C[C@@H](NC(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1478901673 UYUOQOGFRVKDGA-XJKSGUPXSA-N 402.875 1.999 30 10 HDEE CCc1nc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cs1 1498452162 KBAJRZWLFKBYGH-SFHVURJKSA-N 403.487 1.910 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)C[C@H]1O 1503880757 HSHYSKGMHCAKCG-KZNAEPCWSA-N 411.462 1.356 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCS(C)(=O)=O 1507545869 MRELXNALTLMYCA-OAHLLOKOSA-N 406.508 1.758 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1507629746 PEFPELRNJHAYND-DLBZAZTESA-N 402.520 1.915 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCC(=O)N1 1507713973 DQDJDJDCVKGDQR-JFIYKMOQSA-N 403.527 1.561 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(COCC)cc2)CC1 1507723322 DECLWMXEGYOXMX-HXUWFJFHSA-N 422.533 1.569 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507847471 NOOZSYQITVDHSF-HXUWFJFHSA-N 418.498 1.024 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508071132 BJIDUXFLUOXUQR-CJNGLKHVSA-N 400.439 1.363 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCC2)CC1 1508071445 JHHMUYCPTADUBI-UHFFFAOYSA-N 417.558 1.173 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCOC(C)(C)C2)C1 1508120022 XOFRIMBQFVRTQO-KRWDZBQOSA-N 413.526 1.627 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@](C)(CC)C1 1508137754 QWAFYCFYEKTJJV-IBGZPJMESA-N 407.540 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508142320 SJSBQJQDHVQUCI-GVDBMIGSSA-N 410.540 1.246 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1([S@](C)=O)CCC1 1509632420 AUWPNABBTMFAGR-NDEPHWFRSA-N 406.556 1.848 30 10 HDEE Cc1nc(CCn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)n[nH]1 1511575118 ZKQVGFSFBPMLRV-UHFFFAOYSA-N 407.482 1.780 30 10 HDEE Cc1nnc(N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)n1Cc1ccc(C#N)o1 1511885955 LNWRIFOTQBMKCG-HNNXBMFYSA-N 411.510 1.669 30 10 HDEE CNC(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CC#N)CC1 1517598738 CKWXGNXVFCVTOC-UHFFFAOYSA-N 415.523 1.536 30 10 HDEE Cc1c(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cnn1CCC#N 1523317897 USFONNGMWGDDJU-UHFFFAOYSA-N 421.454 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1538970116 AAESSJXLFFTPEI-KSZLIROESA-N 424.615 1.714 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1539252770 FRJIVKCCJYHKNC-XDOYNYLZSA-N 414.469 1.853 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1snnc1C 1539259804 HJCOBBIIAURNRA-UHFFFAOYSA-N 416.470 1.875 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](OC)C(C)(C)C1 1539517492 OXOLYMKHIPNIOD-HUUCEWRRSA-N 412.581 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCCC 1539556480 DHOOQRNTAKGXHO-HNAYVOBHSA-N 407.540 1.089 30 10 HDEE CS(=O)(=O)c1ccc(NCCNC(=O)c2cccc(C#CCO)c2)c([N+](=O)[O-])c1 1540493868 PXCFRIRDSRKOKU-UHFFFAOYSA-N 417.443 1.184 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)CCc1ccccc1[N+](=O)[O-] 1540871775 TYFHERSTXJJTBA-MRXNPFEDSA-N 414.466 1.671 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(NS(C)(=O)=O)s1 1543504048 CCGBJTGOSZOKOA-SECBINFHSA-N 403.486 1.155 30 10 HDEE CN1CC[C@@](O)(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357522 GUVMJHKEFRVFAC-UGKGYDQZSA-N 410.522 1.747 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2CCC(=O)N2CCOCC2)cc1 1554819395 CGAXEQDEFAHIJS-INIZCTEOSA-N 412.494 1.941 30 10 HDEE COCCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1555493747 OOWRCXCQFPIBDA-MRXNPFEDSA-N 419.493 1.753 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCOC3)nnc2N(CCC#N)CC2CC2)CCC1 1555792192 HRWFPTBHABCDPT-INIZCTEOSA-N 407.540 1.879 30 10 HDEE CCCc1c(C(=O)NCCn2cc(C#N)c(O)nc2=O)cnn1-c1cccc(C)c1 1557599726 DAZMCOYLYRHUEX-UHFFFAOYSA-N 406.446 1.697 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)cc1 1558416750 PBGJVGRERUUOIE-MZRZTIOWSA-N 408.520 1.853 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1 1558490482 CNVVHBKSYNQWOB-FPDPHYFHSA-N 413.499 1.434 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2c3cc(F)ccc3OC[C@@H]2CCO)CC1 1559959598 HNMWFFJMHVESGV-PKOBYXMFSA-N 404.486 1.468 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3cnccn3)C2)CC1 1560177194 PDAGXQZPWAGDRD-RXVVDRJESA-N 408.481 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C[C@H]2COc3ccccc3O2)[C@H](C#N)C1 1561338854 HKBWMKLTASYLIH-HUUCEWRRSA-N 423.491 1.601 30 10 HDEE C#CCOc1ccc(CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1 1564798510 MODYOQGWSOFOET-UHFFFAOYSA-N 401.488 1.617 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)n1 1565238849 FDNYSZAFEWTUAW-UHFFFAOYSA-N 408.462 1.300 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2nc(O)c3c(n2)CCOC3)CC1 1565248517 WSJMTRNCJPFUSQ-UHFFFAOYSA-N 412.425 1.297 30 10 HDEE C[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1(Br)Br 1565630030 PRTTWTLNRNCLQQ-PRDAAYKISA-N 421.089 1.525 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)CC1 1565640564 PNKADAXDFQRBJE-KRWDZBQOSA-N 410.536 1.815 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)C1=O 1583893260 YMVYJLQPVFRUMJ-KGLIPLIRSA-N 413.352 1.678 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)s1 1584002700 OOGMANZRFDTXMZ-CYBMUJFWSA-N 411.549 1.272 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 1584578534 RRHSKJWAMGSDAP-HUUCEWRRSA-N 403.545 1.728 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ncc(C(F)(F)F)cc2Cl)CC1 1585000190 QTNSSOMMWMISED-UHFFFAOYSA-N 402.804 1.651 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1587889176 VYVMBKVKBCZHNQ-MRXNPFEDSA-N 410.478 1.493 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1nncn1CC)[C@@H]1CCS(=O)(=O)C1 1588029039 CNAZPXSPOMTXAH-HUUCEWRRSA-N 405.528 1.078 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1588055471 WDQBAUZTBWOLMR-SFHVURJKSA-N 405.568 1.658 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(C)(C)N1CCC(OC)CC1 1588120979 VFMMKLZDHVXXEU-UHFFFAOYSA-N 409.538 1.641 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H](C)C1 1589216196 LQWSINYGEHIDET-MIALQEHNSA-N 406.552 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCNC(=O)C(C)C 1589530911 ZFEUCHFIOHTFPJ-KSZLIROESA-N 405.543 1.972 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1589558849 MHTHKQMOFRKXCS-XWFZLUIHSA-N 410.522 1.947 30 10 HDEE C=CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(=O)COC)CC1 1594703512 KOHORPVZMDCHMA-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC(NC4CCOCC4)C3)ccc2c1=O 1596117975 XTTMRPJMXRTIFD-UHFFFAOYSA-N 400.504 1.464 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C1CCN(C)CC1 1597349057 IUCPPQMHCYNAPV-UHFFFAOYSA-N 417.453 1.540 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 1598120202 BHHPGVXZSGDWAO-IBGZPJMESA-N 400.523 1.952 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1610111051 HACXVLBUXVCIRM-FQEVSTJZSA-N 411.441 1.695 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)C 1611285869 ATKYJQPLKCVQIW-CYBMUJFWSA-N 417.901 1.688 30 10 HDEE C[C@]1(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)COCCO1 1611804236 NFQDXDOALAICGU-UZLBHIALSA-N 401.442 1.542 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 1618760246 ZXLFMBQCPGUCRT-QGZVFWFLSA-N 417.487 1.116 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC(=O)OC(C)(C)C)C1CCC1)c1cc[nH]n1 1628104079 LJMKCXYWMOSJGY-UHFFFAOYSA-N 408.455 1.416 30 10 HDEE COc1cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N2CCN(CC#N)CC2)c1 1628350879 QCLRHWITQQLDLP-SFHVURJKSA-N 402.495 1.799 30 10 HDEE Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1629623082 GHVBJTSOIJELFQ-RDJZCZTQSA-N 415.519 1.376 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1631429115 KRMGYOCGYTZWCD-UHFFFAOYSA-N 406.482 1.956 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1631533991 ARVBDSYZCHJMPH-GOSISDBHSA-N 418.563 1.568 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCC2=O)cn1 1632533320 UHMZOBPXKAXIGQ-YCPHGPKFSA-N 416.482 1.038 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2ccc(Cl)cc2Cl)CC1 1632960532 JDTDOLGUKYACKR-UHFFFAOYSA-N 420.318 1.374 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCC[C@H]2CNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1634791424 MOWQEVABQFQVBP-LSDHHAIUSA-N 415.556 1.634 30 10 HDEE CN1CCC[C@@H]2[C@@H]1CCN2C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1637264826 HCSCOUAFAACEMT-ZWKOTPCHSA-N 418.563 1.981 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1637390410 ULWLYEVKECHIQL-SJORKVTESA-N 411.499 1.706 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1637433715 XQQPUBMWWHJVBC-SFTDATJTSA-N 409.490 1.529 30 10 HDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 1639832750 NOEJZNBSWTVLCE-QGZVFWFLSA-N 411.462 1.947 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NN3CCc4ccccc4C3)C2=O)cc1 1640002290 KGOXFGUAXNLTIO-LJQANCHMSA-N 403.442 1.853 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1640913053 BLZFAVXMIXOZAF-CYBMUJFWSA-N 415.397 1.269 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(=O)[nH]ccc2c1 1641086569 ZHWYYOUVHLSSGQ-UHFFFAOYSA-N 410.455 1.986 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C(=O)NCCN(C)C)cc1)C(=O)OC(C)(C)C 1641618422 QLGVSJWOGXLGCC-UHFFFAOYSA-N 402.495 1.787 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1641767934 MEEHEYYCUYVAKA-HXUWFJFHSA-N 410.515 1.130 30 10 HDEE Cn1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(-c2ccc(Cl)s2)n1 1641970181 AUYIZENNJCJRAZ-UHFFFAOYSA-N 404.839 1.366 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2noc(C(F)F)n2)s1 1642311191 XHDVJVIMEKRJHS-MRVPVSSYSA-N 406.436 1.953 30 10 HDEE Cc1nc(C2CN(C(=O)C3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)C2)n[nH]1 1645131539 FEPNQUMBHGVPNT-UHFFFAOYSA-N 414.491 1.012 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCc3sc(S(N)(=O)=O)cc3C2)c1 1647819558 ZJKXREYVPAQMHU-UHFFFAOYSA-N 418.500 1.083 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@](C)(Cn2cccn2)C(=O)OC)c1 1648492171 MQUJDQNAWUALFJ-IBGZPJMESA-N 403.460 1.042 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(c2c(C#N)cccc2[N+](=O)[O-])CC1 1651327197 WTRPCDOQDATNBO-UHFFFAOYSA-N 405.436 1.972 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@]34CCCC[C@]3(CN(C)C4)C2)c1 1653924694 FXMFHFIRCFBHHE-SFTDATJTSA-N 401.532 1.546 30 10 HDEE Cc1nnc(N2CCN(c3cc(C(F)(F)F)cc(C#N)n3)CC2)c(C(N)=O)c1C 1655109555 PQESYOATKFTIBI-UHFFFAOYSA-N 405.384 1.804 30 10 HDEE CCS(=O)(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(C#N)cc2)c(OC)c1 1655995265 ACVVDMNVPXYOPJ-UHFFFAOYSA-N 423.516 1.849 30 10 HDEE CCOC(=O)[C@@H]1c2ccoc2CCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1659425653 WXFVISNTBJQABB-XLIONFOSSA-N 402.495 1.434 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1665457582 WVLZOMGUIZMTHM-INIZCTEOSA-N 413.565 1.093 30 10 HDEE C=CCOCCCNC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1666153510 NJYFAWQAHTYPLX-UHFFFAOYSA-N 401.460 1.561 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)N=S2(=O)CCCC2)ccc1OC 1667244843 CGLUIGVGEHVUFK-AWEZNQCLSA-N 401.510 1.972 30 10 HDEE C=CC(C)(C)CCNC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1668509673 JUZVESKFXOBHNB-UHFFFAOYSA-N 410.320 1.813 30 10 HDEE COc1ccc(CCNC(=O)NCCn2cc(C#N)c(O)nc2=O)c(Cl)c1OC 1673045624 HKHUOWCPOIBGNY-UHFFFAOYSA-N 421.841 1.033 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 1673710594 BWDPGZSGLMWKJP-OAGGEKHMSA-N 413.540 1.512 30 10 HDEE C#C[C@@H](NC(=O)NCC1(OCCO)CCOCC1)c1ccc(Br)cc1 1674025782 MORHMYBDHXXRHQ-MRXNPFEDSA-N 411.296 1.981 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])C1 1680756118 BULRMBJVSUZFMU-MRXNPFEDSA-N 400.483 1.566 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1689901510 LZSKKLUCCXAPMN-KRWDZBQOSA-N 404.540 1.567 30 10 HDEE C#CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1689921190 XOAXKTWOWJLRLH-UHFFFAOYSA-N 417.535 1.885 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1689945641 GUWPTLNBUMOZQX-CQSZACIVSA-N 400.508 1.682 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1689961259 QZEJPGAXGGSZOB-IBGZPJMESA-N 402.524 1.513 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689985815 CCZZENFOFNLONR-JKSUJKDBSA-N 417.560 1.720 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1689987969 GRNUQIVQFREQKQ-HNNXBMFYSA-N 405.549 1.872 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1689988122 JPSLXTNLZIONKR-QGZVFWFLSA-N 418.567 1.632 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1nccnc1C 1690003289 JYSXDXLSWWYWDX-QFIPXVFZSA-N 408.506 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(CC)(CC)OC 1690046755 GQFGKQGFUPDIIU-QGZVFWFLSA-N 406.552 1.848 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(=O)N(C)C)cc1 1690073649 BNAGGVCFTQIICG-KRWDZBQOSA-N 409.494 1.831 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOCC2CC2)CC1 1690153834 CRWZUNYDWCFVEB-LJQANCHMSA-N 415.538 1.912 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690230938 WBFYRHCYVTUQMF-LSDHHAIUSA-N 417.311 1.887 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CCCCC2)CC1 1690396557 FTIROCDNROWLEO-HNNXBMFYSA-N 411.572 1.986 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1690506164 FKDVABFQDQAJNH-MJGOQNOKSA-N 415.542 1.428 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@@H]2CCCC[C@@H]21 1690671058 OGXZQUPUGCCKEP-YVSFHVDLSA-N 421.567 1.497 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](COCC)C1 1690673726 BRKQVXSNARZIGY-QGZVFWFLSA-N 423.521 1.682 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)C1 1692843161 HGSPQVPLEMUOHV-FQEVSTJZSA-N 413.482 1.454 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)C1=O 1696886958 XFSWTZLNGSABIG-ZHRRBRCNSA-N 421.505 1.387 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1705510064 NFGAIKNGIUUSFT-VPSFDDGASA-N 409.556 1.289 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CCCN1CCCO 1705576498 LWDJACMTEYEQHC-FQEVSTJZSA-N 407.518 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCc1nnc2n1CCCCC2 1705598150 CHCCEZRVAOMJST-SFHVURJKSA-N 407.522 1.806 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(C)C 1705628361 DUDLYVLIEBEOMS-KSZLIROESA-N 424.567 1.327 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1705629874 YKEKZHFALHDPKO-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C(N)=O)nc2)CC1 1705771115 IBFWABXGTFBJPJ-UHFFFAOYSA-N 406.494 1.838 30 10 HDEE C=CCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1705821250 PYCCNECLTHKZNO-HNNXBMFYSA-N 400.508 1.044 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2OC)n1CCC(=O)N1CCOCC1 1705847161 HPAQUFQHQQZDCL-UHFFFAOYSA-N 415.494 1.737 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1)C1CC1 1705854297 JUUWGYOKULVIBP-HNNXBMFYSA-N 410.540 1.267 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1705870101 CDAJDHMFGOGGDN-UHFFFAOYSA-N 404.276 1.786 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(C(=O)c2cccc(Cl)c2)CC1 1705897549 ODUJXIULMPWNEB-UHFFFAOYSA-N 416.913 1.895 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](F)C1 1705938193 PUFSYDXQPCCNFB-CJNGLKHVSA-N 410.519 1.535 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1706747533 AEVGVMZFOCOSFB-CYBMUJFWSA-N 421.461 1.891 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1711332141 BAWRVBURVIFTLJ-ZWKOTPCHSA-N 410.478 1.656 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCCO2)n1CCN1CCOC(C)(C)C1 1712454009 GIFXUEDFVGJNFZ-GOSISDBHSA-N 420.558 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1722280263 VUAKWGBRWVCMLB-LSDHHAIUSA-N 420.539 1.578 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@]2(O)CCO[C@H]2C)c1 1722304755 GCENKWVFLRTUED-AOMKIAJQSA-N 411.506 1.998 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(F)c1 1722412998 GXKIJFMKYHDWJN-HNNXBMFYSA-N 406.483 1.836 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C/C=C\c2ccccc2)CC1 1722441343 PPJJTPGTRHAHEB-POHAHGRESA-N 404.518 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[C@@H]2C)CC1 1722449849 QZIIVVAMKDIGNE-HNAYVOBHSA-N 409.538 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1722506707 VRQCWBAWSQGVDJ-GUXCAODWSA-N 416.526 1.049 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3cnn(CC)c3)C2)nnc1[C@@]1(OCC)CCOC1 1722691060 PFEUAYUOWSGTSW-YLJYHZDGSA-N 402.499 1.911 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722703236 XUZGUIJZOZXGMJ-DFEOGRTESA-N 420.558 1.223 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)N2CCOCC2)C1 1722718532 LAXXRYHSMGRLPH-ZWKOTPCHSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1C(C)(C)C 1722736670 DYWWZJNFRMSFSB-AWEZNQCLSA-N 424.527 1.446 30 10 HDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1729209223 QGFZHVXSZRZWBM-PBHICJAKSA-N 421.498 1.958 30 10 HDEE CS(=O)(=O)CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1)C1CC1 1731006144 BXOBOSSHOQMDPJ-UHFFFAOYSA-N 412.475 1.866 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1740618718 BBNQFLUYGAUDKB-SFHVURJKSA-N 414.531 1.877 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C(C)C)CC1 1740707345 YWDZEGVFWBDFMB-HXUWFJFHSA-N 424.549 1.901 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1ccon1 1740715852 GUDJLHDLMKHCCK-UHFFFAOYSA-N 400.464 1.997 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1740796615 ZQBMTEQWSHFXKO-SFHVURJKSA-N 415.542 1.824 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCN(c2cccs2)CC1 1740961674 HMHNWBVVVATXMI-UHFFFAOYSA-N 423.546 1.954 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCNC(=O)CC2)cc1 1740966176 JMMFTBVFMMDLCO-UHFFFAOYSA-N 407.478 1.618 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1741255251 KZOQPLIAKBIUKJ-UHFFFAOYSA-N 424.505 1.701 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1741876163 CCYWQNQARDFZNI-LAUBAEHRSA-N 412.542 1.777 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CC1(OCCOC)CCOCC1 1747081068 XCTFKNVQSRXAQT-UHFFFAOYSA-N 407.515 1.767 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)cc1 1748630500 KIBUXHAAHAZSCC-SQGPQFPESA-N 401.442 1.936 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1748772474 WIIIIIPPSHFQPG-SIKLNZKXSA-N 418.586 1.414 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748803950 BIRNBAFYSKJLFL-HZPDHXFCSA-N 421.567 1.464 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749194268 ZMCBFOILYQNTJB-CABCVRRESA-N 416.569 1.160 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1749408795 MGPYCZINNIZEQX-OAHLLOKOSA-N 410.482 1.448 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)N(C)C 1751127060 UTTJVCPMVOMMPS-AYOQOUSVSA-N 407.522 1.824 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1760136591 AJWZBXFRIMVYAT-WMZOPIPTSA-N 416.551 1.160 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1760152863 AZQVHQZHVCUJNL-MRXNPFEDSA-N 402.499 1.557 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccn(-c2ccc(F)cc2)n1 1760171241 JFWFHYNUBUDDFS-GOSISDBHSA-N 407.453 1.866 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760189862 QNSMKWZXQJCHDT-DZGCQCFKSA-N 408.553 1.057 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCCn1cc(CO)nn1 1760198606 FOSVGYIQWLTYON-UHFFFAOYSA-N 405.462 1.201 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(OC)nc1 1760207447 JUMSRMYNVHYUPX-UHFFFAOYSA-N 420.498 1.794 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(N(C)C)CCSC1 1760208695 YARKEWCUULNDMI-BBTUJRGHSA-N 417.579 1.512 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC1 1760221243 OSDWHBPKHAACBK-UHFFFAOYSA-N 424.574 1.962 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(CC)noc1C 1760249607 PAQKBJYQWYZCCH-OAHLLOKOSA-N 421.523 1.173 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)CCOCC1 1760287607 YGNWUNHPPPPENE-HXUWFJFHSA-N 402.543 1.519 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1760357454 JKZFDEAOHOWXFS-MRXNPFEDSA-N 415.560 1.438 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CCOc2cccc(OC)c2)CC1 1760514984 INFHCMNUVAKYKA-UHFFFAOYSA-N 414.510 1.098 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](COC(C)C)C1 1760525674 NBMCEWMFXXUQNT-KRWDZBQOSA-N 419.551 1.863 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)c1 1769923034 YWQNRHKPABLUMD-GOSISDBHSA-N 401.467 1.854 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC(C)CC1 1770051958 RALDTMCBNHLVCA-ZWKOTPCHSA-N 406.531 1.463 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCO[C@H](C)C1 1771305275 YHQPANSHLDBDGT-ICUGJSFKSA-N 405.499 1.546 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CC(F)(F)CO2)cc1 1771531826 FEQMPGNQTGTOFO-LSDHHAIUSA-N 402.405 1.553 30 10 HDEE C[C@@H](C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1)N(C)C(=O)OC(C)(C)C 1851845505 JHHOIIGYVVANEZ-INIZCTEOSA-N 417.510 1.874 30 10 HDEE COc1ccc(CCC(=O)N2CCN(c3nccc(C#N)n3)CC2)c(OC)c1OC 1852836482 ZCRIMYYRAXAJSB-UHFFFAOYSA-N 411.462 1.655 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)[C@H]3Cc4ccccc43)C2=O)C1 1854270842 BZEKQMDZMDEDFD-ICSRJNTNSA-N 402.454 1.874 30 10 HDEE CC1(C)C(=O)N(C(=O)CC(F)(F)F)CCN1S(=O)(=O)c1ccccc1C#N 1854462030 KZUYNYFLKVFZNU-UHFFFAOYSA-N 403.382 1.649 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4cnoc4C)C3)CC2=O)cc1C#N 1856855882 JTOYRWJCKHBDCT-HXUWFJFHSA-N 407.474 1.722 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccc(C)c(C#N)c2)C1)[C@H]1CCN(C)C1=O 1857074942 UHTRWATUBLKYNJ-XLIONFOSSA-N 408.502 1.964 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1857263268 DYYRIDODUAKBOD-SJLPKXTDSA-N 403.910 1.976 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N(CCC#N)[C@H](C)C(=O)O)CC2=O)cc1OC 1866319732 FQRNJFXQZCNINP-GDBMZVCRSA-N 417.462 1.310 30 10 HDEE C=CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CC(O)C2)cc1=O 1870384012 ROZMYJLOAATZRL-UHFFFAOYSA-N 400.475 1.850 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC(O)CC2)cc1=O 1870388364 SYJYZXMSEYYMCR-UHFFFAOYSA-N 407.492 1.065 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689056 QAAGCVYXKZAGAK-KBPBESRZSA-N 400.483 1.688 30 10 HDEE Cn1cccc1/C=N/n1c(SCC(N)=O)nnc1[C@@H]1CC(=O)N(C(C)(C)C)C1 1874274639 UBFSEAMIHGEYCM-IDTCLIEOSA-N 403.512 1.191 30 10 HDEE Cc1cc(N2CCOCC2)nc(N2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)n1 1889422810 UXTBMUYVHCRUEB-UHFFFAOYSA-N 406.490 1.385 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@H](OC(C)=O)CC=C(C)C[C@@H](OC(=O)C(=CCO)CO)[C@@H]12 2053541005 XYPJAWWDSQFSQA-UAFMIMERSA-N 420.458 1.525 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@@H](C)N1C(=O)OCc1ccccc1 2054406799 YWTNJFQCHFVKQI-JFIYKMOQSA-N 406.508 1.808 30 10 HDEE C#CCn1ncc(Cl)c(N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)c1=O 2106029179 ZOPMGJGWOMMTOP-MRXNPFEDSA-N 416.865 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2174782108 MSMRRRAIBZEQLG-SANMLTNESA-N 414.509 1.607 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC(F)(F)C1 2184235722 XJUYJQSXGZEGLO-STQMWFEESA-N 408.471 1.701 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258177769 PLIHOEMRIHPDJZ-CRAIPNDOSA-N 409.464 1.321 30 10 HDEE C[C@H](CC[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267373080 YKKRDUMGHMHDRY-JNDILOIQSA-N 407.388 1.483 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281805944 FQJRVFFTZCEPGP-MNOVXSKESA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3ccc(O)nn3)cc2Cl)OC1(C)C 2282304841 PYVHYNNOYVZWCO-UHFFFAOYSA-N 417.705 1.997 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](N)C1CCC1 2282310251 RFTRCZIWSYTZEQ-ZDUSSCGKSA-N 400.375 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCNC[C@H]1C 2282316568 FCECZRMVQZPTBV-YPMHNXCESA-N 400.375 1.632 30 10 HDEE COC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341125 NZEPOQBWFJEQKK-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H]2CO)OC1(C)C 2282408314 HIOGWUXEONBYHB-LBPRGKRZSA-N 401.721 1.785 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282496870 IUAMFVHRQLNFBX-CHWSQXEVSA-N 401.359 1.856 30 10 HDEE C[C@@H](O)[C@H]1CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503336 YOYHLDPVJSJVEW-IAQYHMDHSA-N 401.721 1.783 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282512532 UDPVMDVYUGQNNP-SSINHNECSA-N 421.777 1.685 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282664827 HZLAPWUKVDGMAG-NWDGAFQWSA-N 401.359 1.941 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CO 2282861737 SEMMMJANDMZJHT-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC(C)SC[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284387299 NKRKOSKQOQZLDM-LLVKDONJSA-N 400.331 1.767 30 10 HDEE C[C@@H](C#CC(=O)NCCc1nnc(Br)n1C)NC(=O)OC(C)(C)C 2302419830 CHCXKKJVQPNROO-JTQLQIEISA-N 400.277 1.153 30 10 HDEE CCc1csc(C#C[C@@H](O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)n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c1cccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1O 59016853 MWXBQBGVNGONRF-PJQLUOCWSA-N 406.453 1.547 30 10 HDEE N#CCC(=O)Nc1ccc(CNC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1 219656785 QUGZADDDTJLAHR-UHFFFAOYSA-N 421.369 1.359 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nncn3C3CC3)C2)c1 303504202 RYNNRAZAQPDHPE-INIZCTEOSA-N 413.503 1.544 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C 316068123 JQWAWWQSUNMSQH-CYBMUJFWSA-N 406.323 1.569 30 10 HDEE COc1cccc([C@@H]2[C@@H](NS(=O)(=O)N3CCO[C@@H](C#N)C3)CCN2C2CC2)c1 409487889 WWMBGWPYUQQZJN-GBESFXJTSA-N 406.508 1.032 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)C1=O 410115338 KNUXENIZXHTRGF-JTDSTZFVSA-N 401.511 1.355 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)N[C@@](C)(C#N)C(C)C)c1ccc(S(C)(=O)=O)cc1 430258094 BKPVZDCJFVTUOS-PMACEKPBSA-N 423.535 1.512 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(C)C)c(OC)cc2C)CC1 432946611 YDQSTFJCYSOGJL-UHFFFAOYSA-N 409.552 1.736 30 10 HDEE CC(C)(C)[C@@H](CCO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 438806587 PTDFYKPYQORMFP-OAHLLOKOSA-N 403.870 2.249 30 10 HDEE N#CC1CCC(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 442982298 LDHZDJXRAYGTPF-UHFFFAOYSA-N 406.508 1.230 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503636641 WJZRMAHRNJYQCE-CLHQCHDXSA-N 408.451 1.200 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1 505598942 GRABPDBDRXGHSU-UHFFFAOYSA-N 405.520 1.817 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC2(CCCC2)C1 508919665 RQQPXMICNOUZDR-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 509014379 XDNUJRXFVOYVOI-KRWDZBQOSA-N 416.913 1.568 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)CC1 532741254 VOIZUFTXKGKLQY-QGZVFWFLSA-N 415.563 1.939 30 10 HDEE C[C@@H](C(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)n1cnc(C#N)n1 540606984 JRIMGKCHLDOWHA-AWEZNQCLSA-N 414.491 1.475 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546778527 HUXPEOGNIDLAFW-QZTJIDSGSA-N 410.584 1.713 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 549657594 FWHVMCMTTNHWEL-IRXDYDNUSA-N 405.499 1.017 30 10 HDEE C=CCN1C(=O)N(C[C@@H]2CCCCN2S(C)(=O)=O)C(=O)[C@@H]1Cc1ccccc1 553156404 FKNCZENYMMETCP-ROUUACIJSA-N 405.520 1.862 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 559773996 LKXQGGSISUUINP-JAXLGGSGSA-N 419.520 1.992 30 10 HDEE COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 573411373 HILMUYJRMNQQCS-LLVKDONJSA-N 416.388 1.311 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 578085665 NQCDDYVNFDRTAX-MRXNPFEDSA-N 423.543 1.040 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](C#N)C1CC1 582383268 UDFKVXCKBBGUOW-QGZVFWFLSA-N 406.508 1.053 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(NC(C)=O)ccc1OCC 583925266 LDNQZKGEAUGXAO-OAHLLOKOSA-N 416.521 1.408 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(OCC)OCC)nc1C 586305592 ZFPIGFWQSSNCLL-AREMUKBSSA-N 404.510 1.881 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(OCC(F)(F)C(F)F)nc2)CC1 591114217 IYAFYQCDJVEPOQ-UHFFFAOYSA-N 418.391 1.421 30 10 HDEE CCCNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2O1 609256272 ZTCYLYYLWMUALT-IBGZPJMESA-N 424.432 1.634 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 609984485 IMURPMYASUZQQD-QGZVFWFLSA-N 422.489 1.301 30 10 HDEE Cc1nc(=NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)n(-c2ccc(C#N)cc2)[nH]1 610233077 UFKFYVLYQLXMOE-UHFFFAOYSA-N 400.398 1.775 30 10 HDEE CN(C)CCn1cc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 610478073 NZBGUJCVHCYFKF-UHFFFAOYSA-N 424.465 1.918 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)CCN2CCCS2(=O)=O)c1 610615270 YGKXOBNRDJMCLR-GOSISDBHSA-N 406.552 1.906 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@@H](O)C[C@@H](O)C2)nnc1-c1ccc(Cl)cc1 674805828 GXULIMRMIGRSMM-GASCZTMLSA-N 408.911 1.831 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCNC(=O)C[C@H]2c2ccccc2)C1=O 725771142 QKYHWTXBDSEZOF-WMZHIEFXSA-N 417.469 1.846 30 10 HDEE C#CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@@H]1CCS(=O)(=O)C1 729334994 YAPRVMLRUCFVQY-MRXNPFEDSA-N 422.304 1.897 30 10 HDEE C#CCN(CC(=O)NCCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 731213833 VDXBAZJHJKCDRT-OAHLLOKOSA-N 418.437 1.366 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C(C)C)cc1 732664824 PATGKXMCOJSLPY-HKUYNNGSSA-N 404.536 1.497 30 10 HDEE C#CCCNC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 733355924 LUQLHLCNIHGJIW-UHFFFAOYSA-N 409.508 1.427 30 10 HDEE C=C(COC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C(=O)OCC 734030244 WFCDMIUGBKGWFU-CQSZACIVSA-N 423.443 1.286 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1 734292659 DNTAMTVROWVPLF-UHFFFAOYSA-N 422.484 1.406 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F 734292743 UBWDZXWGGHSJGD-GFCCVEGCSA-N 419.381 1.835 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@](O)(C(F)(F)F)C1 741286170 WEBCDVQGKXRJNX-HNNXBMFYSA-N 405.398 1.031 30 10 HDEE COC(=O)[C@H](c1ccc(C#N)cc1)n1c(=O)oc2cc(S(=O)(=O)N(C)C)ccc21 741735298 ZHRATYRUPTXAQH-KRWDZBQOSA-N 415.427 1.479 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)CC1 748701273 QPCVAMZLHGXRCC-UHFFFAOYSA-N 405.411 1.180 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S(C)(=O)=O)cc(Br)c1C 767829218 BOGYKHCDLMYJNX-SNVBAGLBSA-N 402.266 1.456 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1 767983010 XDPZWUHWXRMEDZ-FQEVSTJZSA-N 423.602 1.654 30 10 HDEE C#CCN(C(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774048295 LMHNJNVHSWMBGM-VQIMIIECSA-N 405.520 1.734 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)cc1 780863287 RIOUKAWYTQETEV-RTBURBONSA-N 412.877 1.616 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 781001097 YDBOXSSAKHVWKR-IBGZPJMESA-N 401.488 1.842 30 10 HDEE CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 786944647 GRNHUMYOCBYTJH-ZPHPHTNESA-N 414.462 1.968 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)cc21 787618232 PQARWCZMPCXOJY-UHFFFAOYSA-N 424.482 1.996 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3ccccc3)CC2)n1 789320762 FRIHYEAENJUGIK-UHFFFAOYSA-N 409.534 1.309 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 790972283 NEMDXGBTBDWTRH-UHFFFAOYSA-N 406.508 1.958 30 10 HDEE CN(C)C(=O)c1cccnc1S(=O)(=O)NC(=O)C1(c2cc(F)cc(C#N)c2)CC1 796737872 FFDBZQMTWIEERK-UHFFFAOYSA-N 416.434 1.331 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@](CO)(c2ccccc2)C1 801472512 JQMNNCODSZXKHV-OAQYLSRUSA-N 413.499 1.278 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1c(Cl)cccc1Br)n1cnc(C#N)n1 802267767 ZMNAOBIDUZNGML-SSDOTTSWSA-N 418.660 1.632 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@H]2COCCN2C(=O)OC(C)(C)C)n1 803231483 QLCHBWQZRBAZRR-SFHVURJKSA-N 420.510 1.517 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)[C@H]1CCN(c3ccc(C#N)cc3F)C1)C2 804643342 YWUCPNPNMUELFU-CKJXQJPGSA-N 401.438 1.562 30 10 HDEE N#Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1Br 806620782 GCKZPEIZHWDJJS-PFONDFGASA-N 404.224 1.969 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 812038624 QNWICBIQQQSYAW-CRQJOFGKSA-N 407.471 1.210 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)c1ccc(F)cc1 812936675 TZQNKGWXCLOQOK-LJQANCHMSA-N 424.480 1.658 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OCc2cccnc2C#N)C1=O 813168361 MPSTYNRKWNUNPP-NRFANRHFSA-N 408.414 1.781 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)c2c(C)cnn2C)CCCN1C(=O)OC(C)(C)C 813988687 NWYZSKSYYRRBTO-SFHVURJKSA-N 412.512 1.879 30 10 HDEE C#CCN(C)CCCNC(=O)CCN1C(=O)COc2cc(Br)ccc21 818584608 RBSMNLNZAUEYEZ-UHFFFAOYSA-N 408.296 1.636 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(OCC#N)c2)CC1 918596487 KZPLKZBVWDABQE-UHFFFAOYSA-N 417.491 1.968 30 10 HDEE C=CCc1cc(C(=O)NCCS(=O)(=O)N=S(C)(C)=O)cc(OC)c1OC 1133680798 SNAUVFAMEUACFW-UHFFFAOYSA-N 404.510 1.220 30 10 HDEE C=CCOCC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1134467446 MCPXNAGCNIKZLZ-CQSZACIVSA-N 400.216 1.493 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)c1nc(C(=O)N2CCN(C(=O)CC#N)CC2)cs1 1149999434 BNFUBBADKAAULU-GFCCVEGCSA-N 407.496 1.927 30 10 HDEE COCCOCCc1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]1 1153859662 VSBGHWSAMATZRN-UKRRQHHQSA-N 407.471 1.104 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc2n1 1156691031 WUDIERXGFKKWEM-HOCLYGCPSA-N 402.476 1.196 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC3(CCNC(=O)O3)C2)cc1OC 1157756930 FXPQZWUBBJQGRE-UHFFFAOYSA-N 405.451 1.936 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H](C)[C@@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 1162509566 BDLHIGLWDBRJMQ-CXAGYDPISA-N 422.482 1.662 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1164672523 LPIWUCCMFZYHPZ-HNNXBMFYSA-N 413.515 1.639 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCN1C1CCCCC1 1166988083 NULBQLCRFWOVOA-YJBOKZPZSA-N 404.536 1.748 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 1167231724 IUTGZJLGFQPGCL-UGSOOPFHSA-N 412.471 1.055 30 10 HDEE C#CCN(Cc1nc(CS(C)(=O)=O)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1176130925 ZJZJHQYQVLBOLJ-UHFFFAOYSA-N 412.512 1.449 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1176294741 SYDIZLJHPGMKOY-UHFFFAOYSA-N 408.451 1.042 30 10 HDEE Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1179651639 MOWUDDKWXAQSPG-LAUBAEHRSA-N 411.483 1.917 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1)S(C)(=O)=O 1196790622 WUFDFJNHLYYZKH-FQEVSTJZSA-N 421.567 1.115 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@@H]2CCC[C@H](C(F)(F)F)O2)n1 1211731932 XDYDFKCWFILZCQ-JKSUJKDBSA-N 423.457 1.795 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1211886982 IYKBYVYVXHZWFB-NEPJUHHUSA-N 408.245 1.997 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCc2ccc(C#N)cn2)C1=O 1229561288 QWSAKWODHUFZDR-INIZCTEOSA-N 401.467 1.475 30 10 HDEE Nc1n[nH]c(CNC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1254332814 QFQRLDWQWYXAGU-SYDPRGILSA-N 408.253 1.699 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 1254546278 QKRDOYZSJKRXJU-JFIYKMOQSA-N 408.520 1.902 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CC1 1254746743 KSZMRJPXSWCHJA-UHFFFAOYSA-N 412.425 1.326 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1CCO[C@H]1c1cncc(Br)c1 1266525885 NUVVFJYZHUQKAR-KGLIPLIRSA-N 403.298 1.639 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cnn(CC(C)C)c1C)[C@@H]1CCS(=O)(=O)C1 1286391868 FGOJWUPKOASJDZ-GOSISDBHSA-N 418.567 1.676 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1cccc(OC)c1)N(C)C 1286398726 NLCXLIQMTPBJIH-FQEVSTJZSA-N 422.533 1.801 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1286451393 JDOWLMDRKBOKFC-CQSZACIVSA-N 401.496 1.044 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1cnn(C)c1 1286463910 WGGYSDIWXPWCOA-UHFFFAOYSA-N 410.478 1.830 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(C)COCCO1 1286465951 ABJIGUWNHOPZDN-JOCHJYFZSA-N 414.506 1.769 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN(C(C)=O)C1 1286466290 FSQNOSSOMDXXDE-HXUWFJFHSA-N 410.522 1.608 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2CC)CC1 1286476304 SZRIVAACTUCVKI-UHFFFAOYSA-N 401.478 1.232 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCOCC)CC1 1286476781 FSULJBMXWQERET-UHFFFAOYSA-N 405.506 1.923 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(NC(C)=O)c2)CC1 1286480649 OOBHRCCHKDUIPZ-LJQANCHMSA-N 408.506 1.544 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCC(=O)N(C)C)CC1 1286484092 DSVADRNRPXRNSK-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C#CCSCCn1c(N(C)Cc2cnccn2)nnc1[C@@]1(OCC)CCOC1 1286510208 LOAQSVSNELUDLL-LJQANCHMSA-N 402.524 1.723 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)CC1 1286564103 SVZQGVXWYKSNEJ-QRVBRYPASA-N 405.543 1.879 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCOCC1 1286749689 XQUXHRKTVVWJAO-INIZCTEOSA-N 417.535 1.895 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC 1286761327 WUKSMSORXZFAGR-UHFFFAOYSA-N 410.522 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1286785115 FHCXDIUGPVFPPL-MDOVXXIYSA-N 400.483 1.348 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286794141 XYHSBKPJWFAKHW-FUHWJXTLSA-N 402.543 1.742 30 10 HDEE C=CCSCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1286834634 HJYMVLCLOJNCHJ-KHYOSLBOSA-N 424.523 1.964 30 10 HDEE CC(C)NC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1288241535 AKVXNHIARIHIDX-UHFFFAOYSA-N 408.510 1.348 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1292493938 DGMHOLPEJXOKDA-HOTGVXAUSA-N 409.531 1.277 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)C1 1297335258 NQRIJYYCEBXQHX-JEJOPICUSA-N 412.483 1.307 30 10 HDEE CN1CC[C@@H](CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1=O 1299744839 BWIWZSBAAHZDFP-GFCCVEGCSA-N 405.296 1.742 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1300443838 OPSSMYBEOZKZMU-UHFFFAOYSA-N 400.508 1.558 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1300482698 GZKRGRURRVDTBZ-PXNSSMCTSA-N 424.567 1.603 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(O)CCC[C@H]2C)CC1 1300681850 DAIBGKZXPAPBNQ-VGOFRKELSA-N 423.521 1.232 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC(=O)NCCC)CC1 1300701567 WLHSALKBWPAEMY-UHFFFAOYSA-N 416.476 1.429 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(F)c2)CC1 1300705952 FKXJJKJCARANHC-UHFFFAOYSA-N 424.524 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)COCC 1300780225 MWFNYKPNTXZRON-DNVCBOLYSA-N 411.572 1.943 30 10 HDEE C=C(Br)Cn1c(C)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1300830321 FIFFQEJDEHZPSO-ZDUSSCGKSA-N 406.350 1.603 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300881166 MROXMSIGWDIVEQ-UXLLHSPISA-N 418.523 1.340 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1301259574 NTMZGSYBEQFRTA-WMZOPIPTSA-N 403.527 1.997 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nnnn1CC1CC1 1301270730 KKLQJAFIQPXUGF-IBGZPJMESA-N 402.503 1.386 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1C1CC1 1301422416 KMWKTWYTRZUAKP-ZWKOTPCHSA-N 402.543 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1301491733 WPIDCFAGHDUNPJ-GCKMJXCFSA-N 412.494 1.415 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCCN(CC)C(=O)C1 1301492638 LWBXIPSXBCGPBV-UHFFFAOYSA-N 417.901 1.354 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)ccc1F 1301842159 PGOQTQFAOUVEHK-WMZOPIPTSA-N 414.499 1.322 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1302286426 ICQSYNDSBWSRRF-WSMBLCCSSA-N 415.416 1.868 30 10 HDEE CS(=O)(=O)C1(Cn2c(-c3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1302425081 AFTNFWKULMHSSS-ZDUSSCGKSA-N 405.455 1.390 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2C[C@H]2CCCOC2)cc1 1302993307 CCVOJAIJMUTWIK-SJORKVTESA-N 410.478 1.467 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCc3c(CC#N)cccc3C1)C2=O 1307976548 VMCOFQZZGKNLLV-UHFFFAOYSA-N 409.490 1.643 30 10 HDEE COc1ccc([C@H]2CN(CC(=O)N3CCN([C@@H](C#N)C(C)C)CC3)CCO2)cc1 1308006838 RRAIHYPZYBFSBN-LEWJYISDSA-N 400.523 1.761 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)C1 1309661949 PFOMDGCSZHWYDY-DJJJIMSYSA-N 407.492 1.727 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1310709820 RZRKIOQYBVCTOD-MAUKXSAKSA-N 419.478 1.803 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCC(=O)N1 1316101473 JIPAEDXXYFZRLB-GOSISDBHSA-N 421.505 1.926 30 10 HDEE CN(C)C1CCN(C(=O)Cc2noc([C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)n2)CC1 1320850969 FCIPTXWRIYPSHG-MRXNPFEDSA-N 422.489 1.557 30 10 HDEE CCN1C(=O)C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@@H]1c1cccc(C)c1 1349462669 HGXLILMHCIGRFP-LPHOPBHVSA-N 422.489 1.975 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1COCCO1 1358987900 WPQDPQATAPCAAE-HXUWFJFHSA-N 410.474 1.841 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1359018302 LJRORSNCYNSEHN-FIKGOQFSSA-N 403.527 1.444 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1CCS(=O)(=O)NC 1359020881 TUAAHSCJWWFIKE-UHFFFAOYSA-N 411.915 1.234 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C(C)C)C(C)C)CC1 1359034693 APDRVDYTXRPYQT-LJQANCHMSA-N 415.586 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1359331126 OEIIXIWFDCDABJ-IAGOWNOFSA-N 420.539 1.427 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359341074 KYCWLXIXSHUBIC-IAGOWNOFSA-N 404.540 1.982 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1359342433 XRCAJRBQMOTRNL-HOTGVXAUSA-N 409.556 1.779 30 10 HDEE CCOC(=O)c1cnn2c(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)ccnc12 1456472347 DEVMOVDQHQNVSF-SFHVURJKSA-N 405.414 1.991 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)/C=C\c3ccccc3)CC2)C1 1456508260 LCVCWSBLSAEQCH-NVNXTCNLSA-N 404.488 1.831 30 10 HDEE COc1ncc(NC(=O)c2cn([C@@H]3CCS(=O)(=O)C3)nc2C(C)C)cc1C#N 1462894575 CTRWNAAMMHHFAK-CQSZACIVSA-N 403.464 1.894 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1464355030 JTQLPKLOCWNHFB-UHFFFAOYSA-N 412.533 1.010 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C(=O)OCC 1464378852 DSWGUQMZXFWPJB-LBPRGKRZSA-N 402.856 1.847 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1464925586 OLDLABQDXZHZRG-HRZQKCLFSA-N 412.874 1.665 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)[C@H]1c1nccn1C 1466609924 WEVATTQQWKGBLB-IHPCNDPISA-N 423.473 1.180 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NN2Cc3ccc(Br)cc3C2=O)cc1 1470236824 MZCGIUNOICKJRR-UHFFFAOYSA-N 413.231 1.738 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1470958776 GFTSDXPBRWZVGO-WZHMAMEKSA-N 408.495 1.577 30 10 HDEE C=CC1(CC(=O)N2C[C@H](C(=O)OCC)C3(COC3)C2)CN(C(=O)OC(C)(C)C)C1 1471719240 DRFOGJSMOQFUOT-OAHLLOKOSA-N 408.495 1.838 30 10 HDEE N#Cc1cncc(CNC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c1 1471965896 HJSDTVLMVGRSKF-UHFFFAOYSA-N 423.292 1.701 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1472151165 UQQBSDVJDAMJGM-UHFFFAOYSA-N 420.487 1.422 30 10 HDEE N#C[C@]12CN(C(=O)C(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1472191728 JUHUAPVJIDLAAT-XHDPSFHLSA-N 401.366 1.041 30 10 HDEE Cc1nc(C#N)cc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)n1 1472650760 LHZJFHKIGSXUKE-UHFFFAOYSA-N 402.436 1.384 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC 1475689684 XMCHBEJZIWFFKI-VIFPVBQESA-N 415.942 1.981 30 10 HDEE CCOCCCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C#N)o2)CC1 1503184787 JKGHFMKVGHXVDP-UHFFFAOYSA-N 400.483 1.859 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1507562540 LDPVOMBQUDQCAG-QGZVFWFLSA-N 420.477 1.724 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOC1=O 1507604179 YHURJCDIECPHAX-UHFFFAOYSA-N 421.299 1.958 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)CC 1507604759 GYNNJMYTDCWQSA-UHFFFAOYSA-N 403.508 1.651 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1507678276 FXDWVKKQKCJZRH-VQIMIIECSA-N 410.540 1.213 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)C2CCCCC2)CC1 1507716699 TWWSIKWWWNQQDV-JOCHJYFZSA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCCOC)CC1 1507723170 YKTBBKCAANXKGI-UHFFFAOYSA-N 421.549 1.540 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCOC)CC1 1507901549 BGIAKDKCSQMNMN-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccoc2CC(C)(C)C1 1508086938 MQVOJRFGUMZCHU-HNNXBMFYSA-N 412.494 1.713 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CCCN1C(=O)OC(C)(C)C 1520811707 SAJRPLMIOJLFLJ-JTSKRJEESA-N 421.538 1.875 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 1522138524 LEYQZWILSCJXFW-UHFFFAOYSA-N 415.425 1.917 30 10 HDEE COC(=O)C1(N(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C2CC2)CCC1 1526293656 FEMUQRGOVOWSRG-UHFFFAOYSA-N 405.476 1.579 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cn(CCc2ccccc2)nn1 1533848643 DOGGEXRRSKSABJ-INIZCTEOSA-N 402.462 1.533 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1533918653 FVZVKHCCZMYHEF-FUHWJXTLSA-N 411.462 1.090 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1 1538342362 UQUBUCJNXFAFAI-UHFFFAOYSA-N 422.441 1.915 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CCN(C2CC2)CC1 1538973663 PLPBGGDJLDSYRB-GJZGRUSLSA-N 408.572 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1 1539021239 HMLLMXKEEKDUSZ-UXHICEINSA-N 409.582 1.995 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)C1 1539645565 RDTSWVCFUACJHT-LAUBAEHRSA-N 411.506 1.817 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1539955454 YDVKKAJEHACFMU-QGZVFWFLSA-N 421.509 1.979 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1540169483 DXHWSUHVJMTMIC-QGZVFWFLSA-N 417.535 1.917 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540900169 MVYBMELGUQVLIA-INIZCTEOSA-N 417.535 1.521 30 10 HDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1555345513 AXKLGWGAJLRUMU-AVRDEDQJSA-N 410.522 1.746 30 10 HDEE COCC[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1555453067 DTAZWCNWGXABEP-GJZGRUSLSA-N 419.507 1.556 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(C3CCOCC3)ns2)c1 1557944230 AVVBIEWBKJWDGR-UHFFFAOYSA-N 406.489 1.596 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1558422184 VMXBIVMHNUZSEE-QGZVFWFLSA-N 408.520 1.687 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@]3(CCSC3)C2)CC1 1559933862 HGJCQNURDMUWCU-FPOVZHCZSA-N 418.538 1.742 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)NCCOC)CC1)c1ccc(Cl)cc1F 1564999859 LVHYVRYGTKKSAF-QGZVFWFLSA-N 410.877 1.243 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1565409380 PODIYJOLBTUILD-MRXNPFEDSA-N 406.527 1.803 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1583661262 BLMUIMIFKHODCX-AEFFLSMTSA-N 415.490 1.969 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@](C)(C#N)C3CCCCC3)c(CCO)c2=O)n1 1586348433 GVXKOWMPCUEVLA-NRFANRHFSA-N 412.494 1.700 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(C)(=O)=O)CC1 1588078947 JUFSHBQOHBCGSG-ZDUSSCGKSA-N 409.936 1.516 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1588271416 IMTRWEIZDQIHSF-NRFANRHFSA-N 419.526 1.868 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCO[C@@H]2CCOC2)CC1 1588884988 QHTUWEGNJMLJQY-GOSISDBHSA-N 417.554 1.737 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1594922846 CSIUTBVCHKBMOG-HNNXBMFYSA-N 405.524 1.857 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1595562225 QSKQOGIASRDSDI-UONOGXRCSA-N 418.479 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595759895 HGQIKBJPYWFXHD-MRXNPFEDSA-N 411.572 1.695 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)cc(OC)c1OC 1598244885 GRXWWTVZJBXFTD-MJVIPROJSA-N 415.368 1.850 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1607485102 FPCUWUADYXGEJQ-UHFFFAOYSA-N 416.551 1.639 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CN(C)C1=O 1611292314 MPZOMADEPMGMGJ-XOBRGWDASA-N 420.481 1.137 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1615755244 YREXTGYQKHSOTE-HYLQGWQCSA-N 415.542 1.847 30 10 HDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1617600804 OCFZLODZZJOYBA-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE COCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1619820440 QXDYKTZTZDPDCL-OAHLLOKOSA-N 423.477 1.347 30 10 HDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccccc2C#N)CC1 1619852500 UKETYISLVJCRBK-UHFFFAOYSA-N 423.521 1.635 30 10 HDEE COCCN(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1619879896 HNCRCFKVQKMWKL-UHFFFAOYSA-N 415.498 1.324 30 10 HDEE O=C(NCCCN1CCCCC1)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1620701850 HVXXSPRAQQVKKY-UHFFFAOYSA-N 411.546 1.875 30 10 HDEE COC[C@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1622328006 IUWRGQDCRLNWRR-LBPRGKRZSA-N 410.677 1.408 30 10 HDEE N#C[C@@]12CN(C(=O)c3nc(NCc4ccco4)ncc3Cl)C[C@H]1CS(=O)(=O)C2 1626656016 QMEXNCYSTHMRQL-GTNSWQLSSA-N 421.866 1.345 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 1626995694 GIBIOVPVYBYUNM-UHFFFAOYSA-N 419.547 1.156 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 1628350716 JRBIDVMLDKAYHH-GOSISDBHSA-N 409.577 1.254 30 10 HDEE CS(=O)(=O)c1cccnc1C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1630447971 IJLVSZTZYWKVSY-UHFFFAOYSA-N 400.460 1.570 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1)C(=O)OC(C)(C)C 1632338076 ILNNXZKOCPXERV-CQSZACIVSA-N 405.455 1.099 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1634188740 ZBUKEUKWZCWOEJ-QGZVFWFLSA-N 418.519 1.568 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1c2ccccc2OC[C@H]1F 1634544969 CDZMXYCEBDIBCK-BJOOFOGMSA-N 403.435 1.813 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CO)CCc3ccccc3)C2=O)cc1 1634919245 WGJVFFPCIDYDDB-NHCUHLMSSA-N 406.486 1.952 30 10 HDEE CC[C@@]1(C)NC(=O)N(NC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1=O 1635573940 SPBCFHWXSLFMGG-HXUWFJFHSA-N 401.272 1.660 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2ccccc2F)cc1C(=O)N[C@@H]1CCN(O)C1=O 1636352977 PMCZMBDDGWBMCX-MRXNPFEDSA-N 407.423 1.655 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@]3(O)CCCN(Cc4ccccc4)C3)C2)nc1 1636786805 SKEAFAIFMITBCX-NZQKXSOJSA-N 406.486 1.960 30 10 HDEE C#CCC[C@H](O)CNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1638555316 KWAKQDRHNUSYDC-HOTGVXAUSA-N 423.510 1.393 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCC[C@@H](Nc3ccc(C#N)cn3)C1)C2=O 1638905869 FPQBBMUYWJSGKD-WIVVBHTDSA-N 424.505 1.857 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(c4ncncc4C#N)C3)[C@@H]2C1 1640315865 OLRQAQPEDPNIRP-ZNMIVQPWSA-N 400.439 1.367 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3cnc[nH]3)nnc12 1641741659 ZIBFMYYYUUBUCJ-UHFFFAOYSA-N 409.475 1.704 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nnc3ccc(Cl)cn23)cc1 1641933777 YNEXKPADMJKZOD-UHFFFAOYSA-N 403.851 1.486 30 10 HDEE CC(C)N(C[C@H]1CCC(=O)N1)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1642968892 MVINTYNAWGJJHY-ZIAGYGMSSA-N 406.508 1.019 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H](C)N(C)C[C@@H](O)CC2(C#N)CCOCC2)CC1 1643298842 BBRYLNYIMIKXBD-AEFFLSMTSA-N 401.573 1.440 30 10 HDEE CCOCN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1c(C)cccc1CC 1644636401 AUIBYUJIYMVORO-RXVVDRJESA-N 419.547 1.755 30 10 HDEE O=C1NC(=O)[C@H](CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1645938397 RVXHMVBMFMWFQR-ZLUOBGJFSA-N 409.233 1.214 30 10 HDEE Cn1cccc1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1646281998 CVSJTRJZAPTKSZ-UHFFFAOYSA-N 418.450 1.060 30 10 HDEE CC(C)(NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1cccc(C#N)c1 1647733538 LTKNAGICERCXMH-UHFFFAOYSA-N 400.504 1.389 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)COCCO3)CC1 1648144781 QCINTJCIMVDDSH-QGZVFWFLSA-N 404.536 1.338 30 10 HDEE CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)CC2 1652521531 SKYQKGQNEIVLFO-AGDHPHLSSA-N 409.508 1.315 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(NC(=O)OC(C)(C)C)cc2)CC1 1653017124 QUUJSPMNTYTEJH-UHFFFAOYSA-N 408.524 1.619 30 10 HDEE C#CC1(O)CN(C(=O)c2nnn(Cc3cccc(Br)c3)c2CCC)C1 1653284988 YSLCDGAVIVVYPA-UHFFFAOYSA-N 403.280 1.862 30 10 HDEE COC(OC)C(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1 1654188176 ZDGGUZPHXPSLHJ-HNNXBMFYSA-N 406.458 1.224 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[C@@H]1CCCO1 1655040583 KRSJNORHKVIFLY-RYUDHWBXSA-N 405.245 1.146 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN(S(C)(=O)=O)[C@H](C)C1 1659425252 QSFOIWWMMUUSPF-CABCVRRESA-N 410.565 1.985 30 10 HDEE N#Cc1cncc(S(=O)(=O)N2c3ccccc3C[C@@H]2CNC(=O)C(F)(F)F)c1 1663981958 CSHJQLVIJLBUNO-CYBMUJFWSA-N 410.377 1.752 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2OC2CCCC2)CC1 1667422919 KTEOMJSXQADHTD-UHFFFAOYSA-N 406.508 1.625 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1667731011 BQMCRIBIKABOKW-UHFFFAOYSA-N 401.511 1.875 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(NC(=O)CCC)c2C)CC1 1673746529 KYTCIAUHHZURTJ-UHFFFAOYSA-N 421.523 1.351 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)CC1 1678385863 ODPDIZIQJGBMPW-KSSFIOAISA-N 408.499 1.244 30 10 HDEE C[C@H](NC(=O)NC[C@@H](O)CS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1681283359 KBRXBJMWSCUJKN-IFXJQAMLSA-N 401.488 1.991 30 10 HDEE COc1ccc(-c2nc(CN3CCN(C(=O)NCC#CCO)CC3)cs2)cc1 1683603278 XOTRDQZKBMGSDO-UHFFFAOYSA-N 400.504 1.642 30 10 HDEE CC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCCOC1 1684819271 ZWEAXNQBQIRPRH-IEBWSBKVSA-N 420.535 1.779 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CCN(c3cnccc3C#N)CC2)n1 1686523152 ULYRBIKZHABELJ-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCN(C)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1689990196 MQQQOANCNSIIDG-KURKYZTESA-N 423.583 1.139 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc2cccnc12 1689999646 FOUBJMVCQFICIL-MRXNPFEDSA-N 422.514 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)N(C)C 1690043668 JJCZBMVJNLBQNE-UHFFFAOYSA-N 400.508 1.003 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccc(F)cc1 1690101998 AAOHDBMQWVULQZ-ZWKOTPCHSA-N 415.469 1.842 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1690351327 PDHGMEGXAVDJSQ-SJORKVTESA-N 422.961 1.700 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(C)(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1690678419 VTZRNUFWSDTGRA-OAQYLSRUSA-N 420.558 1.153 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC(C#N)CC1 1690723326 OBCPYXDZJIUUGE-UHFFFAOYSA-N 400.508 1.989 30 10 HDEE CCOC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1 1695962697 DITMTGJWPNLVTE-QGZVFWFLSA-N 423.477 1.374 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1696498771 XEPZFYCFYOZJRJ-VQIMIIECSA-N 424.571 1.632 30 10 HDEE CNC(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1696935415 BWDXCGNABRXDTQ-KRWDZBQOSA-N 405.462 1.420 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1)OC 1697767404 QSAFJHPZYOMRJO-MNEFBYGVSA-N 415.494 1.597 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCCCO1 1698171185 XFARPVSSROOELL-NZSAHSFTSA-N 418.542 1.748 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCC)CC1 1705519957 CLWHGFKGGUEOAV-UHFFFAOYSA-N 414.554 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@H]1C 1705596209 WZMGYVWXWXHFOA-YCRPNKLZSA-N 411.462 1.009 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCN(C)C1 1705600577 DYNSSHADJCCRME-HSZRJFAPSA-N 407.518 1.429 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705678763 OIABDHJRRPMSOC-GPMSIDNRSA-N 407.540 1.403 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705770238 WZVOKISYSARJMP-HXUWFJFHSA-N 420.510 1.714 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1705889879 JPVXMCHVPDBKHC-OAHLLOKOSA-N 403.487 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(c2cnn(C)c2)CC1 1705936982 DYQIKBMDODWVSS-UHFFFAOYSA-N 418.567 1.949 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1709464532 GLOGSXGFAOLHIE-WMZOPIPTSA-N 411.510 1.545 30 10 HDEE COCC1=CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712220630 XFPHFLCSYVDEHO-ZZEZOPTASA-N 412.494 1.855 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1712671317 UKEAPLXAGMHHBY-MSOLQXFVSA-N 424.505 1.869 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CC[C@H]2CCOC2)cc1 1712881236 YLOQZYLMUIXMHD-KRWDZBQOSA-N 410.478 1.482 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1722294525 HFXSSFRDEBRMFX-QWHCGFSZSA-N 404.521 1.396 30 10 HDEE C#CCN(c1nnc(CC)n1CCNC(=O)[C@@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1722368249 QBDPKCDVAJHOTE-JKSUJKDBSA-N 409.556 1.020 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC[C@H]1OC 1722386296 SOFYCWQZWTURDD-WIYYLYMNSA-N 424.501 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1722397777 UBRAKXGWACCLBH-QGZVFWFLSA-N 419.551 1.264 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1 1722450010 YCDFELGSBOAMIM-QGZVFWFLSA-N 402.543 1.580 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@]2(CCOC2)C1 1722461526 CZQBUJRWJZRCHD-LJQANCHMSA-N 419.576 1.996 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1722690031 CZIILSPEPMNTRN-SOUVJXGZSA-N 412.560 1.205 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC(c2nc(C)no2)CC1 1722727979 SCMPQGALSGRHQJ-UHFFFAOYSA-N 406.512 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@H]2C[C@H]1CO2 1722729566 OXTFSMOMGYWWEC-IRXDYDNUSA-N 403.508 1.232 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1722864658 UXYANCHAZCJVBL-QWHCGFSZSA-N 423.543 1.818 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1724018301 QSGAMQUUGXZYMF-SJORKVTESA-N 421.505 1.433 30 10 HDEE CC1(C)SCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1724042114 SFYYQPIGLBKWJU-LSDHHAIUSA-N 404.540 1.775 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)no1 1727458163 FLUMZFKEJNFNSC-UHFFFAOYSA-N 420.477 1.707 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1728204602 HSMJCPVZGDJFKF-FQEVSTJZSA-N 411.441 1.697 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(S(C)(=O)=O)cc1 1740612463 AFPMBEDJTSDMSC-UHFFFAOYSA-N 412.519 1.661 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740653086 ZICSPHYFTVLBKT-OALUTQOASA-N 409.538 1.641 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1740669688 HCYNEQMJVWQUJL-IBGZPJMESA-N 422.533 1.590 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN(C)CC(F)(F)F 1740676267 XWJRSPWVMBVHKJ-GJZGRUSLSA-N 403.449 1.956 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccnc1 1740726103 XZHYOKLAXYBLBY-DNVCBOLYSA-N 402.524 1.518 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1cccs1 1740960082 KTDJGPIKGMVQOF-KBPBESRZSA-N 423.564 1.741 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CC2(S(C)(=O)=O)CC2)C1 1740975324 ATVUALHZHXZVCQ-MRXNPFEDSA-N 403.508 1.699 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1741000487 BAWIXHGEDGGIHR-HOTGVXAUSA-N 417.539 1.460 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1741001334 ROMAQHPEZIHXPM-KBPBESRZSA-N 408.528 1.425 30 10 HDEE CCC[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)OC 1745276622 XWRHEEDSXOVNLC-ZIAGYGMSSA-N 402.455 1.550 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1748483012 CFLLDPVZWKMYNK-UHFFFAOYSA-N 406.446 1.951 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(n1)CCCC2 1748961250 ZCNAXNUVNLICPE-IBGZPJMESA-N 408.506 1.637 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCCN2CCOCC2)CC1 1748983563 TXRZFMJVVLWFBX-UHFFFAOYSA-N 422.577 1.985 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCCn1ccnn1 1749055466 KAAGPWFJQFXOSB-RTWAWAEBSA-N 413.526 1.993 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749352869 YSLPUUQAQRGRRJ-JKSUJKDBSA-N 400.527 1.831 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749373235 INNVYBHTPJVQDL-HZPDHXFCSA-N 419.526 1.363 30 10 HDEE C=CCCCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1749440312 XFCCJANGYWDDJD-UTKZUKDTSA-N 418.542 1.937 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CCO1 1749554273 CSZBAMKUPQYTLN-LJQANCHMSA-N 407.478 1.645 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](OCC=C)C1 1749666465 MDWCLQHMRNCPBT-CQSZACIVSA-N 414.466 1.089 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2cnn(CC)c2)C1 1749721208 CKPFEWDCXIJAAG-QGZVFWFLSA-N 422.555 1.797 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC(C)(C)C1 1749941720 KELHFJZTTVAAIO-QGZVFWFLSA-N 420.558 1.853 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)n1 1751845347 URPCQGICWRSQEO-APWZRJJASA-N 403.462 1.387 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1760096925 WXFFCLHQPUHXRA-HUUCEWRRSA-N 416.507 1.351 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCOCCS(C)(=O)=O 1760174835 PIXCXEJGHNVEQE-UHFFFAOYSA-N 410.927 1.653 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1760183531 QSEQFHFIOFXDCK-MRXNPFEDSA-N 407.584 1.687 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NC 1760212422 UQNRXPCWURVUHK-JOCHJYFZSA-N 415.538 1.554 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1760224994 DVRJJBJJSUXNIB-HNNXBMFYSA-N 405.524 1.713 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)(C)C 1760230257 XHPNBVYNVSUWHH-UHFFFAOYSA-N 421.509 1.543 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cc(C)nn1C 1760253857 XKUPHEJRHNVPAN-WMZOPIPTSA-N 402.499 1.178 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H]2CCCCO2)CC1 1760256165 FFPQWEXALABYJJ-GHTZIAJQSA-N 403.527 1.255 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](CCC)OC)CC1 1760269767 OIFBRMGGIRBRMO-ZWKOTPCHSA-N 403.527 1.563 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760347056 ZOZKEQMDKCUGAU-UHFFFAOYSA-N 406.494 1.965 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760442044 DDXADGLHZMKOSG-SFHVURJKSA-N 402.543 1.525 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1760465006 UZAZVLRJBBPSSR-CQSZACIVSA-N 415.585 1.519 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](F)(C#N)C1 1760528501 FDKMZEJAZCMIGS-AKCHCHLHSA-N 404.490 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC(NC(C)C)CC1 1760552607 USODFSGFWXFGMY-UHFFFAOYSA-N 418.567 1.908 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1760564111 PAALCFJGCLVWKU-UHFFFAOYSA-N 403.512 1.125 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1761360893 WCTUKXJEQQPOAV-HNNXBMFYSA-N 424.509 1.910 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CCN2CCOCC2(C)C)cn1 1767448869 CMPQFQHLTZRSRJ-UHFFFAOYSA-N 412.542 1.919 30 10 HDEE CO[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1768131006 BOUKCQQBRRLGPC-MSOLQXFVSA-N 410.478 1.517 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(C)=O 1770205121 WYHHNVTZPCLJKM-ABSDTBQOSA-N 404.515 1.658 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)SC 1770215681 PBMMCUWOEXTVMJ-LAQRGFTBSA-N 420.583 1.930 30 10 HDEE CS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1770335931 CPHLOKVHCUMPSM-HNNXBMFYSA-N 409.899 1.296 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCOCCCO)C[C@H]1c1ccccc1 1770757281 VITQSDCXQGCBQD-MOPGFXCFSA-N 419.489 1.878 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(C)C)CC1 1771112186 HXJKUPYVESQOIR-MRXNPFEDSA-N 409.556 1.983 30 10 HDEE CN(C(=O)c1ccccc1S(=O)(=O)C(F)F)C1CN(c2nccnc2C#N)C1 1848806870 VONZJEASYYMOEI-UHFFFAOYSA-N 407.402 1.305 30 10 HDEE CN(C(=O)c1ccccc1I)C1CN(c2nccnc2C#N)C1 1849315197 UVJHCVARCLQLNU-UHFFFAOYSA-N 419.226 1.914 30 10 HDEE COc1cc(C#N)ccc1NC(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1851109340 SURWYKZWWAEUKJ-IBGZPJMESA-N 413.499 1.847 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cc(-c4cccnc4)on3)CC2)nc1 1851930306 PHYWHJRLBVTXGE-UHFFFAOYSA-N 404.430 1.982 30 10 HDEE CCN1C(=O)C[C@H](SCCNC(=O)C2CCN(c3ccc(C#N)cc3)CC2)C1=O 1851988944 PGMUEVHKFGEJBM-SFHVURJKSA-N 414.531 1.771 30 10 HDEE C=CCC1(S(=O)(=O)N=C(NOCc2cn(C)nn2)c2ccc(OC)cc2)CC1 1853443159 GKCAPUAEUWNJDN-UHFFFAOYSA-N 405.480 1.730 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(C)c4)C3)C(=O)C2)C1 1853741196 KESVRELKRCCLPO-QUCCMNQESA-N 410.518 1.279 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)C2)cc1 1853904233 PBOCVHMLWNNAOH-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)Cc3nc(C4CC4)no3)C2=O)CC1=O 1854124309 XRCGHRCGCQJRAX-HZPDHXFCSA-N 415.494 1.321 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2cccc(-c3ccccc3)c2)C(=O)C1 1854485743 SJBQFBSAYUVWSJ-UHFFFAOYSA-N 411.483 1.810 30 10 HDEE C[C@H](C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O)n1cccn1 1854798397 GQQITRFNFCKHQS-CRAIPNDOSA-N 408.462 1.382 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)Cc3cncnc3)C2=O)CC1 1855102499 DDPPUDWWDZPMIZ-LJQANCHMSA-N 404.474 1.683 30 10 HDEE Cc1nc(C)n(CCC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@@H](C)C2=O)n1 1855142747 NTTMSTPVKBSJDY-AWEZNQCLSA-N 408.462 1.099 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc3O2)CCN1CC(=O)c1ccc(C#N)cc1 1855146524 KGYCOBSKIIHDLX-QVKFZJNVSA-N 403.438 1.804 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cnn3c2OCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855169296 LYWFGLSZLGXCIG-AWEZNQCLSA-N 407.430 1.093 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H](C)n2nc(-c3ccccc3)ccc2=O)C(=O)C1 1856387673 KIEWUIMQQDMGSN-DLBZAZTESA-N 407.474 1.834 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H](F)C3CCCC3)C(=O)O2)CC1 1856672286 SVPVMWFNRPYBKY-LSDHHAIUSA-N 401.460 1.427 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2nccnc2N2CCOCC2)C(=O)C1(C)C 1856767433 INKFSQBTQBPFKM-OAHLLOKOSA-N 400.483 1.068 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C1(C)C 1856767795 QAPWEBZWBLYLBW-CVEARBPZSA-N 424.567 1.332 30 10 HDEE Cn1cc(CN2CCC([C@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)nn1 1857226812 KVLGRBSIIHJXTR-IBGZPJMESA-N 406.490 1.517 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2F)cc1 1858968402 YDWGNJXRCPCOKQ-UHFFFAOYSA-N 405.451 1.972 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(F)ccc2F)cc1 1859013506 ZLOIWRRZPQRDSV-UHFFFAOYSA-N 422.409 1.985 30 10 HDEE C=CCOc1nonc1CC(=O)Nc1ccc(C(=O)NCCN(CC)CC)cc1 1872664854 ABTPKHLHUPECJN-UHFFFAOYSA-N 401.467 1.887 30 10 HDEE C=CCn1c(C(=O)NCCOC)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873591311 GRHDPHNWAURVNP-UHFFFAOYSA-N 409.490 1.992 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc4n(n3)CCCC4)CC2)CC1 1889262187 MFIYPUGNUNNXKK-UHFFFAOYSA-N 413.566 1.482 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3C2)cs1 1889605857 UHGMDBHBJRSXEP-KBPBESRZSA-N 410.455 1.321 30 10 HDEE CSc1ncc(Br)c(C(=O)N(C)C2CN(c3nccnc3C#N)C2)n1 1891143543 CNXLXDFUISDANV-UHFFFAOYSA-N 420.296 1.583 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)c(F)c1 1891234191 JGYQYKKQEODHGR-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE COc1cc(CCC(=O)N(C)C2CN(c3nccnc3C#N)C2)cc(OC)c1OC 1891336059 PXWXFMCHOJNCRD-UHFFFAOYSA-N 411.462 1.654 30 10 HDEE C#CCNC(=O)CNC(=O)c1cc(I)ccc1Br 1962764662 HRHPCTHSAIXUQE-UHFFFAOYSA-N 421.032 1.533 30 10 HDEE N#CC[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(F)(F)F 2000565072 TVEMFECXJBRSTC-ZDUSSCGKSA-N 403.382 1.827 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](CNC(=O)OCc3ccccc3)C2)C1 2054406250 SYEFIGYCDDQPLK-MSOLQXFVSA-N 406.508 1.715 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCOCC1 2054407343 FCRBWFIHZBNDLW-QGZVFWFLSA-N 407.492 1.637 30 10 HDEE C#CCCN1CCC[C@H](NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2083606991 AWRXQARSMOQULK-INIZCTEOSA-N 403.504 1.080 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC[C@@H](C#N)C1)CC(F)(F)F 2174787179 REYJTNQPHNPXKW-RYUDHWBXSA-N 414.450 1.902 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674367 IPIHVXWBSHETKD-HNNXBMFYSA-N 407.320 1.289 30 10 HDEE CC(C)(C)OC(=O)N[C@]12C[C@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247826855 APBCJXZRVPCXLU-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2249999869 ATERSIARZGDENF-CVEARBPZSA-N 422.331 1.888 30 10 HDEE C=C1COC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353479 LCHJVNNZQIPAQQ-NSHDSACASA-N 405.734 1.934 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3C=CS(=O)(=O)C3)sc2Cl)OC1(C)C 2267544364 SYCZYUDAEMQJIV-SECBINFHSA-N 403.718 1.741 30 10 HDEE C[C@H]1CN(C)C[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282310589 WJIJRVZHBKDHOV-CMPLNLGQSA-N 420.793 1.929 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@H](C#N)C3)cc2Cl)OC1(C)C 2282310749 YFERNNZRVGGKGJ-SNVBAGLBSA-N 418.733 1.614 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)[C@H](F)C1 2282325683 IHPZKYIOIXUZDU-VXGBXAGGSA-N 405.322 1.449 30 10 HDEE CC1(C)CCN[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339392 XWFQZSHITZPEHS-ZDUSSCGKSA-N 400.375 1.714 30 10 HDEE C[C@@H]1CNC[C@@H](C)C1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346453 VQRWSXIVHQMYOA-VXGBXAGGSA-N 400.375 1.570 30 10 HDEE C=C(CS(=O)(=O)Nc1cccc(S(N)(=O)=O)c1)B1OC(C)(C)C(C)(C)O1 2282492877 TZLYQEWRUHLLGO-UHFFFAOYSA-N 402.303 1.263 30 10 HDEE CC(=O)NCCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282496628 DVVOIXXFSSISFJ-UHFFFAOYSA-N 402.347 1.079 30 10 HDEE COCC(COC)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282500325 JYVKLGBFLMTTLK-UHFFFAOYSA-N 405.347 1.329 30 10 HDEE CCn1cc(C(=O)N[C@@H]2CCCCC23OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282534206 DNLVHVWTWMBZCJ-OAHLLOKOSA-N 405.304 1.618 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2282835597 XDIVHRQLMFRVFD-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE C[C@@H]1CNC[C@@H]1CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282862825 IYXJAWWZCXNTSG-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE C[C@@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284406837 DCBFPOGBCOJAGO-ONGXEEELSA-N 419.355 1.584 30 10 HDEE CN(C)CCN1C(=O)C(=O)C(=C(O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccncc1 2296945929 WMDCPZPPEKGZNW-IBGZPJMESA-N 409.442 1.836 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](NC)c1nc(Br)nn1CCOC 2328460161 UGMIJPZGDNGBKZ-NWDGAFQWSA-N 416.320 1.864 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2365203363 SHOQZBSRHITXHH-KHYOSLBOSA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)O1 2365205606 CBVQIZFSUYNCLQ-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367809011 JBTREPGDHKKQAD-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367810081 TWQIGPJQYNKQIC-AUUYWEPGSA-N 400.541 1.292 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CC)CNC(=O)OC(C)(C)C 2367832166 XYEUJNLEXGWYIX-BEFAXECRSA-N 402.557 1.601 30 10 HDEE Nn1c(N/N=C/c2cccc(O)c2)nnc1SCC(=O)NCCc1ccccc1 20914636 WUBXVFDKPKVVTL-WSDLNYQXSA-N 411.491 1.595 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)Nc2nc(C)cs2)n1N)c1ccccn1 21324957 KAAXQBGXYUVVGQ-KEBDBYFISA-N 403.497 1.719 30 10 HDEE C=CCSc1nc2nnc3c(CC(=O)OC)nn(-c4ccc(OC)cc4)c3n2n1 72463989 FBXFEOJESBTOMU-UHFFFAOYSA-N 411.447 1.860 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)s1 150120838 OJPDSBZHKOZBSV-JTQLQIEISA-N 412.352 1.630 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCO[C@H](c3ccccc3C(F)(F)F)C2)CCO1 409490443 GTKSLXISCNVCMO-WFASDCNBSA-N 405.398 1.548 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@@]4(CNC(=O)C4)C3)s2)cc1 433270710 FAGBUNHECOPMAE-GOSISDBHSA-N 414.516 2.446 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 435187980 VBIUSRGYFOFGQA-UHFFFAOYSA-N 416.507 1.954 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c(OCC(=O)N(C)C)c1 443314821 SCSCWSUCBNSITO-UHFFFAOYSA-N 400.479 1.847 30 10 HDEE COC(=O)[C@@H](NCCS(=O)(=O)c1cccc(C#N)c1)c1ccc(OC)c(O)c1 473130884 XCZYRYZSGFXAAR-SFHVURJKSA-N 404.444 1.550 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)c1ccccc1 481278031 MEWQWTZSDDGWJS-HNNXBMFYSA-N 414.487 1.161 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC[C@@H]1COc2ccccc2O1 482899749 MZYUECQRIFAYGD-JKSUJKDBSA-N 408.462 1.798 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCOc2c(Br)cccc21 499703789 GGTMORBCBHVRRC-CQSZACIVSA-N 418.313 1.969 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 504076742 PPYQYTOLZHXMBB-UHFFFAOYSA-N 419.489 1.769 30 10 HDEE Cc1cc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 514881679 YVWVAPKEHZFFOK-UHFFFAOYSA-N 402.476 1.614 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 518496305 UAJYSPZGKVUMPC-UHFFFAOYSA-N 421.563 1.786 30 10 HDEE N#CC1(CNC(=O)[C@H]2[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C(=O)N(Cc6ccccc6)C(=O)[C@@H]54)[C@H]23)CC1 520296889 AROWPXUHHLOKHM-VMJIZDNZSA-N 401.466 1.886 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 521066330 PFYYYEKXSNDUKO-KRWDZBQOSA-N 406.508 1.352 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C)c2=O)cc(OC)c1OC 522110131 WDZMPKRNMQNKHW-UHFFFAOYSA-N 414.483 1.345 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 541826762 GQMMMAVUAFFTQM-MRXNPFEDSA-N 424.544 1.276 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C2CC2)c1=O 544640173 QZDAJMLGIAZMCU-UHFFFAOYSA-N 412.471 1.489 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@@H]3CC(=O)N(Cc4ccccc4)C3)CC2)n1 546189524 LWJZRWBCKFKYTD-IBGZPJMESA-N 418.501 1.834 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCC[C@@H]2[C@H](C#N)c2ccccc2)C1 554339883 CIQBYVIOFOIASX-GUDVDZBRSA-N 419.551 1.739 30 10 HDEE C=C(C)Cn1c(CCC2CCCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 566022717 TXLHXPNGUAYIEP-QGZVFWFLSA-N 400.527 1.514 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccc(CN3CCCC3=O)cc2)c(F)c1 585714939 NLXSXHSYSAACLA-UHFFFAOYSA-N 408.433 1.752 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1C#N 589884768 SUXUVUHLCFVDND-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 589886426 NWHBVDNDYRETQE-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1Cc1ccccc1 610244878 MGUDQGJBZIFGIV-UHFFFAOYSA-N 419.506 1.354 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)N(C)CC(N)=O)c3)cc2C1=O 671240867 YRZVSRDRWNFCIU-UHFFFAOYSA-N 420.425 1.278 30 10 HDEE C#CCn1ncc(NCc2cn(C)nc2Br)c(Br)c1=O 720677504 JKQBVBSLSFUWBU-UHFFFAOYSA-N 401.062 1.747 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669852 CUIMEERYFOCLHZ-UHFFFAOYSA-N 407.499 1.019 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CCN1C1CC1 732697008 SZDSHCLTHPDVIW-OAHLLOKOSA-N 402.886 1.480 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)CCN1C1CC1 732703713 JHBVNRMBLURIJN-TZIWHRDSSA-N 424.549 1.266 30 10 HDEE CC(C)NC(=O)c1ccc(Cl)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732708012 KKDNPPXNSRGDHK-HNNXBMFYSA-N 417.897 1.615 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 743305400 AUWJGZCJDXGNAG-CZUORRHYSA-N 417.487 1.362 30 10 HDEE CC(=O)N(C)c1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 744776786 XJKFUUPIBXKRGY-UHFFFAOYSA-N 400.460 1.737 30 10 HDEE COc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1-n1nnnc1C1CC1 753905861 SEEZLFHUMKXVNA-MRXNPFEDSA-N 408.466 1.752 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C(=O)C2CCCCC2)C1 760743517 RSWXINIZHFFSMA-HNNXBMFYSA-N 418.519 1.023 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 767780762 KPRJWLXABOIYGD-UHFFFAOYSA-N 416.275 1.892 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCc2nc[nH]c2C1 772705578 PDDHEHMNCMRISF-CJNGLKHVSA-N 415.519 1.681 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 774187201 DUSLNUNGBDFVBF-DLBZAZTESA-N 405.520 1.353 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc([S@](=O)C(F)(F)F)cc2)CCN1C1CC1 774243207 SKVYCQGXDRKJLM-QYSRSOONSA-N 414.409 1.451 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2cnn(CC3CC3)c2)CC1 777881785 RHJLLKLANPAUKS-UHFFFAOYSA-N 402.480 1.541 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)CN1C(=O)CSc2ccccc21 781593647 ICMFMJROQZESII-UHFFFAOYSA-N 405.432 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)C1 788273993 ZNRDDHMMXMKHKQ-HNNXBMFYSA-N 404.442 1.829 30 10 HDEE Cc1nn(C)c(C)c1C=Nn1c(-c2cnn(C)n2)csc1=NC[C@H]1CCCO1 789967359 LACODQBCMYZYQI-CQSZACIVSA-N 400.512 1.657 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)n1 791044445 LSCJDPLQXDBLEF-GOSISDBHSA-N 401.488 1.453 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c1 791511763 SIGXVYLXJBMHHL-UHFFFAOYSA-N 400.412 1.982 30 10 HDEE Cc1cc(COCC(=O)NS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)on1 802051615 WWNBJFRJYYWEON-UHFFFAOYSA-N 403.338 1.895 30 10 HDEE COc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)c1 807931098 YWXRHFZOMLDSFU-INIZCTEOSA-N 414.491 1.624 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC(=O)/C=C/c2ccncn2)cc1Br 809124847 RDHNWZBSPFCCCX-OWOJBTEDSA-N 411.212 1.768 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(N)=O)C1 809926661 OQJUFEONGIEHKV-KBPBESRZSA-N 406.487 1.084 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nc(Br)ccc2Br)CC1 816290172 NPWKJLOJGXZQJQ-UHFFFAOYSA-N 416.073 1.805 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)s2)c(=O)n1C[C@@H]1CCCO1 837806434 OZXLTLMBKVSEOI-NSHDSACASA-N 422.329 1.939 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)C(=O)N2CCCC2)cc1 916869758 QLZZDQZANWRJQV-QGZVFWFLSA-N 407.492 1.427 30 10 HDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)cc1 916953880 WLRWUIMMIIAFSS-MRXNPFEDSA-N 412.446 1.939 30 10 HDEE CCOC(=O)c1ccc(N=C2S[C@@H](C(=O)NC)CC(=O)N2CC(=O)OC)cc1 1083888532 SGMCIZFITNXGDU-CYBMUJFWSA-N 407.448 1.104 30 10 HDEE COc1cccc(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)c1O 1083997360 MBZXHWGWUPHNMY-UHFFFAOYSA-N 402.436 1.966 30 10 HDEE Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cnn1CCC#N 1124148465 PTYYFKFZXMUFDB-UHFFFAOYSA-N 405.455 1.391 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CN3CCCC4(CC4)S3(=O)=O)C2=O)cc1 1127911649 JOGMPDILPTXFIO-QGZVFWFLSA-N 416.503 1.128 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1137093345 ZLLJCPWRBZEQCY-SREVYHEPSA-N 403.460 1.396 30 10 HDEE CN1CCCN(CCCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1144225909 FEJCQPBEYMTWMN-UHFFFAOYSA-N 406.571 1.781 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1148751637 UHOZIKGQSCZAIT-MRXNPFEDSA-N 401.444 1.585 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1 1154157955 JZDFANQQMJIYKA-LMGGTIKBSA-N 408.524 1.359 30 10 HDEE O=C([C@@H]1CCS(=O)(=O)N1)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157813831 MDZMJEHBTVUNTL-ACZMJKKPSA-N 416.290 1.308 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CN2C(=O)C(F)(F)Oc3ccccc32)c1C#N 1160493182 CMRIVTFURYGPKD-UHFFFAOYSA-N 404.377 1.390 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2C(=O)OC(C)(C)C)C1 1179982419 LAJRSEYDEBDTQN-HNNXBMFYSA-N 402.447 1.577 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)Cc1c[nH]nc1CN1C(=O)c2ccccc2C1=O 1206577401 KPTZZDODGZPEOS-UHFFFAOYSA-N 408.458 1.983 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCc2nc(O)c3c(n2)CCOC3)CC1 1234047752 KFHDGQLNXMIBKK-UHFFFAOYSA-N 408.462 1.595 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)OC(C)(C)C)C2 1251708133 LFAHUJORVCTVKI-KRWDZBQOSA-N 408.543 1.657 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1251870477 RTRVDHQQLWWTOQ-QFIPXVFZSA-N 406.442 1.753 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1286333847 CBZHZUWWQNWLTR-XMSQKQJNSA-N 415.538 1.933 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCN(C(C)C)CC1 1286376500 DRIVGQACIYCNLX-UHFFFAOYSA-N 421.549 1.821 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1286466578 ZSBMRBWLPYEABY-CDXJDZJCSA-N 401.511 1.520 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)C(C)C)CC1 1286490397 TUWPFIIXIIQIMU-GOSISDBHSA-N 413.526 1.315 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2nccc(C(F)F)n2)CC1 1286491012 ARRVUBGWCGFBRY-UHFFFAOYSA-N 403.437 1.582 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286568512 ZWYVIYONEWYZTP-ZWCUEREDSA-N 410.522 1.947 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](CCC)C1 1286789662 IULXBOQOMXHIJT-MRXNPFEDSA-N 404.540 1.941 30 10 HDEE C=CC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C[C@H]1c1cnn(C)c1 1290234672 LOSNETCVWOWCKR-GPFWEFOESA-N 400.523 1.858 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)[C@@H]1C 1291159549 QHVFRRDCELGIBM-MQINBFPNSA-N 410.482 1.440 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)c1 1294325779 YQJKHHVISPXJGL-KRWDZBQOSA-N 419.890 1.598 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@@H](c3ncon3)C2)C1 1296311996 HGUUQSOEAHJSKK-OAHLLOKOSA-N 418.251 1.740 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1296593085 MBBUQRGPUIZQCG-OALUTQOASA-N 419.327 1.845 30 10 HDEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1298516095 HWYICYRUZGXVNQ-UHFFFAOYSA-N 404.421 1.956 30 10 HDEE Cc1nc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c2cnn(C)c2)no1 1298587750 BOPQZXFZABHUKP-KBXCAEBGSA-N 405.418 1.242 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1300382702 ZWFYZRQTJGOJKN-UHFFFAOYSA-N 403.531 1.414 30 10 HDEE C#CCCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300391898 VGBJBSOUXJKVDH-SFHVURJKSA-N 418.519 1.999 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NC)CC1 1300394940 YYPAGAWLLJDYJX-UHFFFAOYSA-N 419.493 1.297 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1300404354 XTUQMUZIPNOCJU-AWEZNQCLSA-N 407.478 1.306 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300487717 LVEYZOLZTSPGMF-QGZVFWFLSA-N 417.535 1.784 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@]1(O)CCN(C)C1 1300510936 BDCPTXKVVCHXGR-NRFANRHFSA-N 415.444 1.686 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300545344 NPNQAMOGBZKWSQ-SFHVURJKSA-N 403.552 1.365 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCS(C)(=O)=O 1300604626 NJBAXKIFLUSNJU-UHFFFAOYSA-N 414.329 1.930 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCCO2)CC1 1300703472 KSPDTHKAEAOYGQ-NRFANRHFSA-N 424.549 1.605 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCNC(=O)CC1 1300830866 MNRMXQRHCDCAPC-LBPRGKRZSA-N 402.293 1.237 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1301198123 XAWUBJGKJPHYSP-UHFFFAOYSA-N 424.571 1.341 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1)C1CC1 1301327291 PRUNHZINCQWKPK-INIZCTEOSA-N 421.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1301519092 MLUONOPDBYERNC-HNNXBMFYSA-N 423.525 1.255 30 10 HDEE CC(C)CSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1303247761 MJTBUROYBIVTKI-KRWDZBQOSA-N 419.599 1.982 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CCN(C)C)c1cccnc1 1303873474 CYYQVRYTOGJSOY-BEFAXECRSA-N 415.519 1.429 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCN(c2cc(O)ncn2)C1 1304637829 DLFHBGGFUHYWCH-OAHLLOKOSA-N 406.450 1.041 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)cc1 1310131574 PKYXQPUDHZUGEZ-WBVHZDCISA-N 413.540 1.773 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2c3ccccc3CC[C@H]2C(C)C)CC1 1312458359 BQAIZMKXJRVWDA-ICSRJNTNSA-N 418.563 1.741 30 10 HDEE CS(=O)(=O)Nc1ccc(OCCNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1313190128 GCGFWXRFJOLUHZ-GOSISDBHSA-N 414.487 1.775 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315158112 GIBGPMXPJMGYLL-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H](C)N1CCOCC1 1316172712 UXBWALAQTCAMGH-ROUUACIJSA-N 420.558 1.853 30 10 HDEE COCCOCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1316263457 JYUBCYIMZCKPHX-KRWDZBQOSA-N 408.462 1.885 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1316538797 MBDWNALYSWCBLF-GVDBMIGSSA-N 403.870 1.867 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1320158821 AHSYDLKJJLDVCT-HNNXBMFYSA-N 400.522 1.437 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)CC2(n3cnnn3)CCOCC2)cc1 1355493557 ORIBBGMRWHQNES-UHFFFAOYSA-N 420.495 1.014 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 1355541051 WSNGNZXPMXTTQT-AWEZNQCLSA-N 405.455 1.421 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(C)(C)NC(=O)COC(C)(C)C 1356278237 PTXLSGILHSXQNT-CQSZACIVSA-N 402.499 1.095 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)CCC2=O)cn1 1358079481 CJEAMLCUSGEBHZ-INIZCTEOSA-N 410.453 1.523 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1358890078 KQKRYWOBNLCKFF-BBRMVZONSA-N 423.564 1.487 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1358903729 HTNSFQVECHWRRK-UHFFFAOYSA-N 422.537 1.743 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1358963936 QFNGLRAZUNEJOM-DLBZAZTESA-N 416.503 1.163 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2ncc(CC)s2)CC1 1359035991 KAIPWHYHMJTTMG-INIZCTEOSA-N 400.552 1.799 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(F)(F)CC1 1359126031 CGFPPBGEFZGXNV-CYBMUJFWSA-N 407.487 1.717 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)COC)CC1 1359131494 VXEUFSGRKUILBX-UHFFFAOYSA-N 415.498 1.059 30 10 HDEE C=CCC(C)(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1359190968 JJIJZDHGZWXGQM-KRWDZBQOSA-N 415.542 1.693 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1359227021 RBVCNQPJPGSXHQ-UHFFFAOYSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1359297594 VRSMXAAYBRGVQP-KRWDZBQOSA-N 413.526 1.189 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1359330055 FHTBUJVENQDGPY-DLBZAZTESA-N 418.567 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@@H](C)C1CCC1 1359332100 PFLYQCHFAMAFOX-HOCLYGCPSA-N 409.556 1.845 30 10 HDEE CCN(CC)C(=O)[C@@H]1CSCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1440742485 ADFCUQBAMFHLCD-HNNXBMFYSA-N 413.496 1.506 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(=O)cc[nH]1 1450976038 OLKYOKOXIBCXJK-UHFFFAOYSA-N 402.476 1.290 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@H]1CCCO1)C(F)(F)F 1452531717 XRTQMPSJRPWPHB-BXUZGUMPSA-N 419.425 1.731 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCN(CC3CC3)C2)cc1S(=O)(=O)NCC#N 1454129745 FYHPBTPSKMTPAI-QGZVFWFLSA-N 404.536 1.649 30 10 HDEE COc1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)ccc1OCC(N)=O 1456058965 FXWUFEGWOREPBO-MRXNPFEDSA-N 409.446 1.543 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1460762423 XGIUZVKVOOXZDM-INIZCTEOSA-N 403.527 1.665 30 10 HDEE CC1(C)CC[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1 1464031738 JBDGEFXROBLUHD-QGZVFWFLSA-N 405.520 1.986 30 10 HDEE CCC1(Cn2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)COC1 1465696356 DPMJRHHZOBLISQ-AWEZNQCLSA-N 404.471 1.290 30 10 HDEE C#C[C@H](NC(=O)c1cnnn1C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCCO1 1467294454 ZYLDGSOVMDIGAV-DOTOQJQBSA-N 403.483 1.761 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)nn1 1469216072 PBIYDHQGTNLUND-UHFFFAOYSA-N 402.499 1.607 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2nc(C(=O)OCC)n[nH]2)c1 1469995947 KLHDJSLNRPYNMK-GFCCVEGCSA-N 404.448 1.269 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)C2)C1 1471789879 TVXQTBBKXDVTDV-DYESRHJHSA-N 401.463 1.830 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)CCc2c(C)nn(CCC#N)c2C)O1 1472009794 IOSOGNFTXIEJHT-YSIASYRMSA-N 404.511 1.768 30 10 HDEE C#CCN(C(=O)N[C@@H](C#C)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1478896527 OSDJFFVMGDNOSB-CVEARBPZSA-N 409.305 1.955 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)NCc3nc(C#N)cs3)CC(=O)N2C(C)(C)C)cn1 1478970356 OHCBIYITQYXKDA-PXAZEXFGSA-N 415.523 1.936 30 10 HDEE CN(C)C(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1503367238 AYKJOFKAVMPLLS-MRXNPFEDSA-N 402.886 1.729 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1507613249 XFISNFOSHNREGL-UHFFFAOYSA-N 421.505 1.659 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cccc(O)c2)CC1 1507718723 HKZFGFINBUGHPR-QFIPXVFZSA-N 411.506 1.439 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507735257 PTTCOLLIMWDSGF-HSZRJFAPSA-N 420.517 1.389 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1507843130 IHQLNGHPSPWMDK-IAGOWNOFSA-N 412.494 1.875 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1507971706 BSAQRPLUWSTTQL-LJQANCHMSA-N 422.507 1.134 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1508015256 PCUNEJAEOFYJEE-QGZVFWFLSA-N 418.519 1.942 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)OCCO2 1508036493 PLLNJLNLTXIMMD-UHFFFAOYSA-N 415.494 1.875 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CCC(=O)N1CCOCC1 1508037261 INIQGXOFPZJKGX-UHFFFAOYSA-N 403.483 1.734 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(Cc2cccs2)CC1 1508095636 YUEJTISCXRDGPN-UHFFFAOYSA-N 404.540 1.501 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cnn(C)c2)CC1 1508131735 PWLALHCMFCEWHQ-MRXNPFEDSA-N 421.571 1.453 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C)C1 1508149038 NXHWUJADWFYAGE-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1509721866 HLSSYWREJJPKOL-MSUUIHNZSA-N 417.514 1.063 30 10 HDEE CO[C@H](Cc1ccccc1)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 1517786167 DAWJGEORTXTVSS-RTBURBONSA-N 424.505 1.501 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCc1cnn(C)n1 1519294391 KEBORNKARHJFKI-OXJNMPFZSA-N 416.530 1.893 30 10 HDEE C[C@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1524552023 MDTHPFYPHYSTMK-CYBMUJFWSA-N 418.498 1.916 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](NC(C)=O)C1 1525999386 DINCOGMLOLCDAI-CYBMUJFWSA-N 410.268 1.835 30 10 HDEE CC[C@@H](C)[C@H](NC(=O)c1ccc(C#N)c(Cl)n1)C(=O)NCCN1CCOCC1 1526760304 ADSPQYNEYFVILT-CJNGLKHVSA-N 407.902 1.200 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C1CC1)[C@H](C)C#N 1527917954 BVQUEWUKTQVVPQ-OAHLLOKOSA-N 420.535 1.538 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC[C@@H]4COC[C@@H]43)CC2)cc1 1528019664 BFAAXXMGSMPFOS-MJGOQNOKSA-N 403.504 1.596 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1534973859 VNQITHKIKIEBDI-QAPCUYQASA-N 422.503 1.852 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1539002702 GZVMOFTWWYXLQR-JLCFBVMHSA-N 406.490 1.811 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1539031307 YSHFTDNDTQVXGN-JKSUJKDBSA-N 416.551 1.448 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1539139470 IQBWSPRZIZHJAG-QFBILLFUSA-N 409.490 1.994 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)N(C)C 1539190952 XTVHACGZKSGQLH-UHFFFAOYSA-N 423.565 1.191 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@@H]1CCS(=O)(=O)C1 1539219882 OBVDKUDZPRHGLC-RCCFBDPRSA-N 424.567 1.155 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1539272870 FREMEGSSOINUIY-UGKGYDQZSA-N 408.506 1.551 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccnc2-n2cccn2)CC1 1539468124 ARJJUUFMTLUTSV-UHFFFAOYSA-N 404.478 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCC(=O)NC)CC1 1539476030 QZTRBWCHPJGGFG-UHFFFAOYSA-N 408.506 1.355 30 10 HDEE C#CCO[C@@H](C)C(=O)NC[C@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1539593655 BQQLRQKTOVEXQB-KBPBESRZSA-N 407.433 1.625 30 10 HDEE COCC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1540330713 SZEPGJWIHFOSNH-UHFFFAOYSA-N 405.407 1.960 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1540863060 OKNRRLYIQJXTCN-AEFFLSMTSA-N 410.522 1.789 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(F)cc2)CC1 1540875831 ZEOUGNRKCYTMDD-UHFFFAOYSA-N 402.474 1.583 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541804562 YHUNZBBIXXMESA-NVXWUHKLSA-N 422.555 1.850 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)CC1 1542893167 LMQZXSFNOLRCQR-INIZCTEOSA-N 406.527 1.058 30 10 HDEE N#CC1(NC(=O)Cn2nc(Br)c(Br)n2)CCSCC1 1545827266 GXCPRLHNYUXORH-UHFFFAOYSA-N 409.107 1.709 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)OC)C[C@H]1C(=O)OC 1546069336 KCKHJJHJPMMWEH-KKUMJFAQSA-N 410.467 1.246 30 10 HDEE N#Cc1ccc(F)c(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)c1 1546317095 CGGCYBGDVQXXMT-UHFFFAOYSA-N 417.418 1.271 30 10 HDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(C)(C)C 1554629963 BIBGKOQAKIRPAQ-PBFPGSCMSA-N 416.523 1.391 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H]1C[C@H](O)[C@H](O)C1 1558438497 VVIAUUCRLRWNIO-BZZMCLGOSA-N 401.463 1.393 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)cn1 1561734305 VKTDAJRRLSYMRG-UHFFFAOYSA-N 414.484 1.286 30 10 HDEE N#CC1(CNC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCOCC1 1565466383 UUBXFKYVMZSKPX-XNTDXEJSSA-N 415.475 1.737 30 10 HDEE COC(=O)C[C@H]1CSCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1565989036 VQOSDGPEJKXERN-NSHDSACASA-N 400.453 1.244 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1567287540 AJDYOIMDYOSJGJ-SFHVURJKSA-N 408.524 1.178 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)[C@@H](C(N)=O)C3)CCO2)cc1 1585446361 RXUQSAINQPUWKI-WOJBJXKFSA-N 421.432 1.717 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1587758509 AYAUEBMKOHZYLF-LLGFUMIMSA-N 401.511 1.807 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(CC)C1 1587861179 HTAIIPGLYGFRJE-APWZRJJASA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1587974857 CUIYKEMWRYTGMS-QFIPXVFZSA-N 422.489 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCn1ccnn1 1588162242 OVPCYGUHMHZXLQ-UHFFFAOYSA-N 400.446 1.483 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2C[C@](C)(O)CC)CC1 1588762402 HYPHXBBUZLVBSU-GOSISDBHSA-N 421.343 1.952 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1588923856 OIZLFDSJMNXODE-ZWKOTPCHSA-N 401.511 1.173 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(=O)NC)C1 1588975907 NABFCRJVPOJQAE-HNNXBMFYSA-N 420.583 1.525 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](N1CCOCC1)C(F)(F)F 1594949251 VAXZPYSUJUFZCU-STQMWFEESA-N 402.421 1.115 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1595476205 JAVFZKUUGMTHIQ-HNNXBMFYSA-N 412.542 1.827 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCc2ccco2)C1 1595754301 MUAUTLVYRLGFCR-IAGOWNOFSA-N 401.467 1.820 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1C[C@]23CCC[C@@]2(COC3)C1 1595831422 QCDNAWMBJXECDE-OALUTQOASA-N 410.540 1.422 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCO1 1598177547 CXGCJIDRLOOKPV-LJQANCHMSA-N 423.491 1.047 30 10 HDEE CCCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1614572922 ILBKPVNQWBMMNI-JKSUJKDBSA-N 411.528 1.116 30 10 HDEE COc1ccccc1-n1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1618171662 HBVVDXNEOHCZNG-IFXJQAMLSA-N 400.460 1.200 30 10 HDEE Cn1cccc1-c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCS(=O)(=O)C1 1618434696 GFPLZZNFVIQUAQ-INIZCTEOSA-N 402.524 1.848 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1620024369 HRBAFHSMKLJNNA-BEFAXECRSA-N 413.478 1.809 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@@H]2CCOC2)C1 1620347042 MIXXILGMVOCARS-HNAYVOBHSA-N 401.446 1.620 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ncsc1Br 1621678712 BILKYAPWVPWXAD-SECBINFHSA-N 415.356 1.411 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 1623494172 BSZCNWJBLHBKJN-XHSDSOJGSA-N 401.360 1.881 30 10 HDEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1)c1ccccc1 1624417267 MPGVUSGGAOIBDO-SCTDSRPQSA-N 407.536 1.454 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@@H](C)NC(=O)OC(C)(C)C 1627136733 NMTMUTNUDNXUTQ-MMMWYMCRSA-N 413.540 1.569 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)[C@H](CO)NC(=O)OCc2ccccc2)c1OC 1627357845 ZKXYKBXTPZTWHX-SJORKVTESA-N 413.430 1.672 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(F)c(Br)cc1F 1628386350 UMCXIVCAAQDLQI-SQFISAMPSA-N 400.179 1.984 30 10 HDEE C#C[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 1628628901 WCSJNMMTVRGGKN-JKSUJKDBSA-N 404.467 1.466 30 10 HDEE C[C@@H]1CN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)CO1 1629043454 VCOULKRQKOGKAZ-ZIAGYGMSSA-N 421.339 1.982 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OC)c1ccnn1C 1630881167 QBXNEFREWGHOQR-DGCLKSJQSA-N 400.863 1.786 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CNC(=O)c1cccc(Br)c1 1632227708 HQESGHXYVUDWCW-UHFFFAOYSA-N 409.280 1.982 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1632791791 HZBHQDXENGMWCV-ZIAGYGMSSA-N 413.471 1.384 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1633742780 BMKYZMMCKBSSTI-OAHLLOKOSA-N 422.356 1.435 30 10 HDEE Cc1ccc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1636396921 NNILGROWQRRBJO-INIZCTEOSA-N 400.284 1.961 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](c2cnn(C)c2)C(C)(C)C1 1636471045 HOXSQBDISWWOAI-RDTXWAMCSA-N 415.519 1.611 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1641041316 WMTCNJSNHCSATA-MRXNPFEDSA-N 405.476 1.433 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2CCCN(O)C2=O)c1 1641520515 AQLXXNUYMURZJN-ZDUSSCGKSA-N 403.888 1.527 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N2CCC2)CC1 1641905716 JSPZXNXBJXATAM-SFHVURJKSA-N 418.563 1.981 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(OC)c(OC)cc1I 1644466119 NPHZVBTVYAXIAG-JTQLQIEISA-N 403.216 1.813 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](c2ncon2)C1 1645203070 BUUZKJFLYFDUIG-ZFWWWQNUSA-N 417.491 1.539 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1645581868 RFGGYVSJRHZEJE-MRXNPFEDSA-N 415.556 1.872 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CCNC(=O)O3)CC2)s1 1648088915 YWMWHQOICAWEIJ-UHFFFAOYSA-N 413.521 1.246 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCO[C@](C)(C#N)C1 1652916065 FSNGXSRRDLZJNI-WMLDXEAASA-N 415.512 1.367 30 10 HDEE Cc1ccc(C(=O)NCc2cc(C(F)(F)F)n(C)n2)cc1S(=O)(=O)NCC#N 1653490970 YBKCJXLQWSILRB-UHFFFAOYSA-N 415.397 1.479 30 10 HDEE C#Cc1ccc(NC(=O)CCN(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 1654594959 CUBOSXJRJRWASB-UHFFFAOYSA-N 401.488 1.655 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CS[C@H]2CCCS(=O)(=O)C2)CC1 1656944441 QASWHNRWZJEPGC-GJZGRUSLSA-N 413.590 1.767 30 10 HDEE CC[C@H](CNS(C)(=O)=O)NS(=O)(=O)c1sc2ccc(C#N)cc2c1C 1664005044 DEDPCIUNFCOISY-GFCCVEGCSA-N 401.535 1.688 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OC 1666159186 BSCDEAHYQOLRTC-HNNXBMFYSA-N 404.510 1.113 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 1667075457 DIQMNFLJNLQYKK-UHFFFAOYSA-N 407.492 1.736 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)NCCc2ccccc2OCc2ccccc2)CCO1 1670778226 GTOLGKAGUMBEIM-IBGZPJMESA-N 401.488 1.867 30 10 HDEE Cc1cc(NC(=O)N2CCC(C(=O)NCCN(C)C)CC2)c(C#N)cc1N(C)C 1672050480 AARTVYHAMUBDTN-UHFFFAOYSA-N 400.527 1.854 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)n1 1673676108 BAWCCBJNZIEBRI-LJQANCHMSA-N 413.453 1.619 30 10 HDEE COc1cc(OC)cc([C@@H](NC(=O)N2CCN(CCC#N)CC2)c2nccn2C)c1 1676443322 HJCCCQSUPMTAIV-LJQANCHMSA-N 412.494 1.768 30 10 HDEE N#Cc1c(CCCNC(=O)NCCN2CCCC2=O)nn(-c2ccc(F)cc2)c1N 1686974578 UHOLXFILLPRAFI-UHFFFAOYSA-N 413.457 1.319 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCC#C[C@H]2CCCCO2)C1=O 1687387884 DHQFOFZJJOVTLS-SJORKVTESA-N 407.511 1.581 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1689932194 UALBVAFJFURABJ-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689934046 HSDHTKZBGCALOR-MRXNPFEDSA-N 412.519 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(CO)c1 1690034422 HUYIOYFYSLWOAK-HSZRJFAPSA-N 408.502 1.934 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C2CC2)n1CCNS(=O)(=O)CC 1690090219 ZWDXWVJCTBXYPE-UHFFFAOYSA-N 405.499 1.874 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(OC)CCOC2)CC1 1690131261 WSIOKYQHDAJAJQ-QHCPKHFHSA-N 409.534 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1690146436 NSGHSKGLCDSBHI-QFIPXVFZSA-N 419.570 1.620 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1690311706 RUZZAFDQKBZXAS-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1690503401 AIFXIYYOCFRLMD-HXUWFJFHSA-N 417.535 1.948 30 10 HDEE C=CCCOCCn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1690509569 ALCYCZGTJNTJBR-MRXNPFEDSA-N 401.515 1.831 30 10 HDEE CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@H]2C)CC1 1692491785 DFLGGAQTGSNJLE-HTAPYJJXSA-N 410.522 1.887 30 10 HDEE Cc1cc(Cn2c(N3CC[C@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n(C)n1 1693405328 IVOSGPFWELKKBT-VQTJNVASSA-N 417.489 1.851 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCC[C@@H]1NC(=O)NC1=O 1705543996 BMGPJNFNJIQHRO-AWEZNQCLSA-N 418.404 1.604 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1cccc(OC)c1 1705550964 CKUNQSYMZRWGSK-JKSUJKDBSA-N 418.519 1.726 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCN1CCCS1(=O)=O 1705610788 DHKWPXZYDDXBHX-UHFFFAOYSA-N 412.519 1.921 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)NC(=O)OC(C)(C)C 1705611530 HEIAYRIGPVUIHI-CQSZACIVSA-N 404.515 1.992 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705658493 RGGPFPOBPKILJQ-SFHVURJKSA-N 401.496 1.076 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCCO1 1705737327 OKVGVNCKOYVAAD-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)CC1 1705763649 ZWYYLBASLCRBSR-OAHLLOKOSA-N 405.528 1.386 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C2CC2)N(C)C)CC1 1705780844 HZACYXQOIFHKLX-YOEHRIQHSA-N 410.588 1.631 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](COC)C1 1705898343 IVBTVDNSQWCVKX-OAHLLOKOSA-N 415.494 1.737 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2cscn2)CC1 1705901826 XOUIIQIEJDALDN-UHFFFAOYSA-N 401.540 1.627 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC(C)(C)O1 1708182257 GRVOEKPDTWAZIN-AWEZNQCLSA-N 418.523 1.370 30 10 HDEE CCc1nnc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1709061887 OQPPQQQNOCZCNK-GYXYWSMKSA-N 400.483 1.371 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1709184332 ZOXZLCWHMVTEBR-LJQANCHMSA-N 405.506 1.793 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1711028190 NTTSTZNHGABPOG-INIZCTEOSA-N 422.470 1.953 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1)[C@@H]1CCOC1 1711028513 UYOZMFIPCHLPLY-QGZVFWFLSA-N 406.446 1.951 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712875870 ITHVGNURFTXHTB-LQATUXICSA-N 410.413 1.242 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1712885511 NKOUUMRVQHZNAO-CZIZESTLSA-N 420.477 1.930 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1722360783 WDZPSMWWIHXOGL-HNNXBMFYSA-N 415.475 1.818 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC(C)CC1 1722389921 NUXLVKGTIGMPKC-SFHVURJKSA-N 420.583 1.083 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCOC1 1722423553 HRHHZIJQTDPCFV-JOCHJYFZSA-N 407.474 1.731 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1NC(=O)CC1(C)C 1722468754 PIPAYUFDZGCAGP-VWKPWSFCSA-N 403.527 1.909 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722553335 OJBLOCCSBKJXPU-NQIIRXRSSA-N 405.543 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1722725323 JBGXVBXLOBPGAD-SJORKVTESA-N 418.567 1.860 30 10 HDEE CCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1728612723 QTSCQAMUDAQQCT-KIJUOZEOSA-N 401.515 1.458 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1729339968 YSDHLJLQTNTOHA-GOSISDBHSA-N 411.510 1.097 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCC=C)[C@H]1CCS(=O)(=O)C1 1740622097 UKPUIBOVJSCNGQ-KRWDZBQOSA-N 402.524 1.662 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@H]1OC 1740644296 AHLWWFKOFZHFOW-HCXYKTFWSA-N 402.495 1.126 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)(F)F 1740655007 VKRWVCUQQLBNDC-UHFFFAOYSA-N 404.396 1.405 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1 1740671392 GKIADVRXNGDRII-MRXNPFEDSA-N 410.540 1.083 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCOC(C)(C)C1 1740687065 QMYVAOAFWKBYIN-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(COC)CCC1 1740687088 ZPZKRWGGQKWXEK-MRXNPFEDSA-N 410.540 1.083 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)[C@@H](C)CC 1740724704 HSPJKGDNLREMQJ-SAKMYQHLSA-N 411.572 1.678 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740822440 QALQSVXSOVLNAA-HNNXBMFYSA-N 403.512 1.173 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC(NC(C)=O)CC1 1740953959 XLBQANXVIYEZQK-UHFFFAOYSA-N 412.494 1.361 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1740995755 WPJYGSOGCMRBHJ-INIZCTEOSA-N 416.555 1.866 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CCO1 1741400850 BBZVCIGLNRBEIC-IBGZPJMESA-N 424.505 1.537 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1743880596 AFMURDJJNODING-IIBYNOLFSA-N 415.542 1.949 30 10 HDEE CCOCc1nnc(N2CC[C@@]3(CCS(=O)(=O)C3)C2)n1Cc1ccc(C#N)o1 1747131644 YOOJEBCDIKFCQD-GOSISDBHSA-N 405.480 1.343 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCC1(C)C 1748670886 DGHRIEYDPGFRGX-GVDBMIGSSA-N 423.583 1.895 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1748824385 OVQIRXOJTIIYKD-AWEZNQCLSA-N 409.537 1.255 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1748948861 YTNNNJAOEQEYJB-XMSQKQJNSA-N 415.538 1.805 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2C[C@H]2C)CC1 1748979959 UVIQCHHONMWQQH-SJLPKXTDSA-N 413.547 1.760 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1749032542 LDDVDZHHSHXAOL-CALCHBBNSA-N 415.567 1.647 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749459912 VTBVOAQOEPDJEZ-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1749500028 SRVWAZLAVJABBJ-MRXNPFEDSA-N 407.544 1.043 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1749521079 GYGOIVWZZHACOZ-SFHVURJKSA-N 423.564 1.338 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCCNS(C)(=O)=O)C1 1749703836 PMOUVKBKBGZTAG-QGZVFWFLSA-N 405.524 1.666 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1749703870 QLDOXNGRWXFPTM-KKSFZXQISA-N 401.486 1.932 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1CCOC1 1749831151 WVPKXJGNAMGORO-HNNXBMFYSA-N 416.482 1.799 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1cc(C)on1 1757728105 YIFMCXATZOLEDQ-NSOKGPEJSA-N 403.479 1.729 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](CC)c2ccccc2)n1CC(=O)N1CCOCC1 1760194542 LFBJVIGXMJTGJM-FQEVSTJZSA-N 405.502 1.752 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CCNC(=O)Cc2cccc(F)c2)CC1 1760260177 NJAQABJBDTZAEX-UHFFFAOYSA-N 410.497 1.409 30 10 HDEE C=C(C)COCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760359785 KVHCTGQFVDUUSM-LJQANCHMSA-N 410.522 1.870 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1760359922 YLTOWZMWNHNULO-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1760522947 HQENMBLCYYOCJT-AWEZNQCLSA-N 407.478 1.396 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1761292011 RYAINBNGISLGBA-PXNSSMCTSA-N 406.531 1.388 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1762056987 ILRFPCNZTOJVGK-OVWQWFNUSA-N 420.514 1.036 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)OC 1763221453 DYHQVKVBRHOZIA-QGZVFWFLSA-N 412.494 1.869 30 10 HDEE CCCN(C)C[C@@H]1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1765946102 ZHHWQDNYFLBQAN-RUNIHZNKSA-N 401.515 1.281 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)OC)C1 1766975033 BHYZAEYAEPOETA-KRWDZBQOSA-N 420.477 1.866 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)C[C@@H](C)C#N 1768250926 CWQGCNQVRSJNPL-YOEHRIQHSA-N 419.507 1.821 30 10 HDEE C#CCO[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772788767 GIOHRUGOJGLRNB-DOMZBBRYSA-N 402.403 1.672 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2)cc1=O 1849115234 NGHWZXWTNQKZFQ-SFHVURJKSA-N 421.501 1.938 30 10 HDEE CC(C)[C@@H](C(=O)Nc1c(C#N)cnn1-c1ccccc1)N1CCS(=O)(=O)CC1 1851626942 DBHYOWOEXGHETO-KRWDZBQOSA-N 401.492 1.437 30 10 HDEE Cc1csc2nc(COCCN3CCN(c4ncccc4C#N)CC3)cc(=O)n12 1852129542 NALLHSGSWVHPRL-UHFFFAOYSA-N 410.503 1.670 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)N1CCN(c3ccc(C#N)cc3Cl)CC1)CC2 1852612053 AJRFQKWMYVBOKK-HNNXBMFYSA-N 411.893 1.759 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(Cc2nnc3n2CCCC3)CC1 1852903934 JXGMNWBJBTXMNV-UHFFFAOYSA-N 410.478 1.218 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccncc4)CC3)C2=O)ccn1 1854029684 FQSBSIWQNSYPCQ-HXUWFJFHSA-N 404.474 1.297 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2=O)CC1 1854638725 SSLZSDQULWALLV-IAGOWNOFSA-N 407.511 1.792 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1854891617 WBZDGFGREDOLIW-MRXNPFEDSA-N 419.503 1.693 30 10 HDEE Cc1ccc(C(=O)N2CCN(Cc3nc(-c4ccccn4)no3)CC2=O)cc1C#N 1856342609 GBRLLVAXLTYSML-UHFFFAOYSA-N 402.414 1.796 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1=O 1856749218 YFESFZYSRUBAJQ-OALUTQOASA-N 409.490 1.273 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)COc2ccc(OC)nc2OC)C1 1857002491 ONJWPCAQPCOQDV-CVEARBPZSA-N 403.479 1.893 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)c2cncc(F)c2)C1=O 1857051743 ICBNTQAFQOAWJB-LBPRGKRZSA-N 402.407 1.704 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(OC)ccn2)C1)[C@H]1CCN(C)C1=O 1857080019 JDYPBVYLOPSXLQ-QAPCUYQASA-N 400.479 1.188 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1cc(F)ccc1F 1857099100 RDFPRMQKBLMOSP-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE Cc1nc2ccccc2c(=O)n1CC1CCN([C@@H]2CCN(C(=O)CC#N)C2=O)CC1 1857146660 QPDAPSMTNSSVTB-LJQANCHMSA-N 407.474 1.458 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C1)CC2 1857213554 OWXOZPYMYPPRKD-HOCLYGCPSA-N 412.469 1.053 30 10 HDEE N#Cc1c(NC(=O)COc2cccnc2NC(=O)NCC(=O)O)sc2c1CCC2 1858789130 UGHRJGHMGBDVNE-UHFFFAOYSA-N 415.431 1.727 30 10 HDEE CCCCCCCCN1C[C@H](C(=O)N2CCNC(=O)[C@@H]2CC(=O)OCC)CC1=O 1872983377 NXJVPDRDIDROIJ-SJORKVTESA-N 409.527 1.476 30 10 HDEE CCCOc1c(/C=N/n2c(CCOC)nnc2SCC(N)=O)cccc1OC 1874470452 GPYVPDULLPIDKT-RGVLZGJSSA-N 407.496 1.724 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889570717 XGCJQWQICKVXKG-UHFFFAOYSA-N 419.591 1.557 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@H](Oc2cc(C#N)ccn2)C1 1891363016 SHUXWDMDZFKTSY-AWEZNQCLSA-N 404.404 1.712 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1 2044241539 FUXOAVHKZJHBNU-DLBZAZTESA-N 400.460 1.876 30 10 HDEE CN(CCS(C)(=O)=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2052553536 IUBAIIOYZMDXAK-UHFFFAOYSA-N 419.150 1.624 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)C(C(F)(F)F)C(F)(F)F)s[nH]2)OC1(C)C 2166419120 GYDFNVPOPIVDDK-UHFFFAOYSA-N 405.129 1.939 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2201718301 VWULKCJLMCYFSU-UHFFFAOYSA-N 415.899 1.719 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@H]2[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2247801889 IUXZCPZFOBLIFE-RKTXRCNFSA-N 420.315 1.808 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2247845279 OJMXADTUNBEBHS-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248394823 CVXZLYGOWJVRQY-BTYIYWSLSA-N 420.315 1.621 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2267727047 SFFZCOBXRRTZFS-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE Cn1cc(C(=O)N2CCC(C3(C)OCCO3)CC2)nc1B1OC(C)(C)C(C)(C)O1 2282038560 KBBFSEMYCIACRP-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1NCC[C@@H]1C 2282322805 QWTAHWZKXXNFGB-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE C[C@@H]1CN(C)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331124 JVFMLPPFERJWAY-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@@H]1C[C@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282342472 HXJINFRGCXWRKR-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC[C@@]1(N)CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282344715 MEIXREYWAZIVKD-QGZVFWFLSA-N 400.375 1.939 30 10 HDEE C[C@H]1CCC[C@H](CN)N1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282493793 VPPNVYFOMFFDLL-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2cnsc2)OC1(C)C 2282497752 UPCQTKXNVCGXFM-UHFFFAOYSA-N 415.371 1.561 30 10 HDEE CNC(=O)OCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282505030 XPIKRTDBBBQISD-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCC[C@@H]1N 2282826407 RCWOBAZENBFDCU-STQMWFEESA-N 400.375 1.904 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C(C)(C)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834729 XLFGEUQCZLXKSL-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE CN([C@@H]1CCC[C@H](N)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851430 BOGVJZTZIFTRKE-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(Cl)=C(Cl)C1 2282854822 WJTXZNKBBFZCHT-UHFFFAOYSA-N 422.143 1.803 30 10 HDEE C[C@H]1C[C@H](O)[C@H](C)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866151 FDCZNPMBMRTTJL-DYEKYZERSA-N 401.359 1.827 30 10 HDEE Cc1nc(S(=O)(=O)N2CCSC[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870186 ODMXPPZOYJCJFS-NSHDSACASA-N 401.363 1.154 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](O)C[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282870608 VFTRHHRCBPHBLM-MFKMUULPSA-N 401.359 1.808 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@H](C(=O)O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2284396767 FXOGHJHQHNIBGM-MNOVXSKESA-N 401.315 1.592 30 10 HDEE CC1([C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(=O)O)CC1 2284413427 KFYUHNTXZAYIGJ-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CCCSC[C@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284469778 OPVTWICMBFKHQH-JTQLQIEISA-N 400.331 1.769 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1CNC(=O)OC(C)(C)C 2300217135 LUWJUFBTIAAWFH-OLZOCXBDSA-N 420.319 1.362 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2339661814 IDXJIWVOARVNJF-ZIAGYGMSSA-N 408.501 1.917 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365198517 GLJASAJSRRDUDA-SPYBWZPUSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213881 YRWRFBPWDZYGLP-DNVCBOLYSA-N 402.557 1.683 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CC2(O)CC2)c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c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2370707775 USDJUOGQBMOPPM-OBJOEFQTSA-N 401.359 1.827 30 10 HDEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)Nc2nccs2)n1N 21319790 XVNCDPPGVBAQLZ-QGMBQPNBSA-N 404.481 1.634 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(N(CC)C(C)C)cc2)CC1 23265069 UKFRNNSFYDUURA-UHFFFAOYSA-N 401.555 1.780 30 10 HDEE CC(C)N(C[C@@H]1CCCN(CCN)C1)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208090212 GPISYBAGRJRQDA-QGZVFWFLSA-N 403.380 1.661 30 10 HDEE C#CCNC(=O)CN1CCCN(c2cc(C)nc(-c3cccc([N+](=O)[O-])c3)n2)CC1 301294168 RKVFLCIPYSTRLG-UHFFFAOYSA-N 408.462 1.622 30 10 HDEE CCc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)CS(C)(=O)=O 404840344 ZXOINXIGPOUHOU-UHFFFAOYSA-N 403.331 1.292 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 410203329 GLNKNQYYQXYUQN-LPHOPBHVSA-N 420.535 1.829 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc4c(cc3O)n(C)c(=O)n4C)cc2C1=O 461612415 WGPDFMXBVZIVMS-UHFFFAOYSA-N 406.398 1.617 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ccn(C)n1 468755952 AIOGDYNKWMWGRL-ZDUSSCGKSA-N 402.354 1.503 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C 472577207 AQRXSNOMZWQEOS-ZDUSSCGKSA-N 405.469 1.285 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3ccnc(C#N)c3)CC2)c(OC)c1OC 476241401 YZPQRXFKHJWOQQ-UHFFFAOYSA-N 410.430 1.577 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)[C@@H]1c1cncn1C 480112429 DWHUYZBMTCAYQF-MBOZVWFJSA-N 400.527 1.462 30 10 HDEE CC[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1CC(F)F 498832304 JFCQXNIOAXFPQS-HNNXBMFYSA-N 414.478 1.680 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503853550 HADJRMNRIDPBSA-SFHVURJKSA-N 412.471 1.392 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ncn(CC(=O)NCc2ccccc2)n1 506485842 MYPUYAVCYUCGDP-HNNXBMFYSA-N 404.430 1.872 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CSc3ccc(C)cc3)n2C)CC1 508609575 LXMIQBHWCKOBQE-UHFFFAOYSA-N 400.552 1.840 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 508938384 JFQKVGYYWRPYJZ-JSGCOSHPSA-N 409.516 1.225 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2nccs2)CC1 512456840 PBKFXLGOVVXYQC-CVEARBPZSA-N 404.540 1.238 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3cnn(C)c3)C(F)(F)F)CC2)o1 514651677 LCOJUHMPTDUOHX-OAHLLOKOSA-N 411.388 1.130 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccccc1S(C)(=O)=O 515524629 LQXBEZJWGNAETR-UHFFFAOYSA-N 421.544 1.714 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ccc(C(N)=O)cn2)CC1 533356682 FMCCKIKELUMADD-ZDUSSCGKSA-N 424.530 1.752 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCC3(N4CCOCC4)CCCCC3)CC2)n1 545510489 KQKKIYZZPNTADI-UHFFFAOYSA-N 412.538 1.820 30 10 HDEE CC(C)CCNS(=O)(=O)c1ccc(N2CCN(c3cccc(C#N)n3)CC2)nc1 546183414 GKDJEBBWJRNLMT-UHFFFAOYSA-N 414.535 1.999 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NC1CCC(Oc2nccnc2C#N)CC1 585356168 XRSFDPNJPCTRFR-UHFFFAOYSA-N 422.488 1.865 30 10 HDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 585760794 AJEGIGXAQIEPOM-MRXNPFEDSA-N 422.489 1.717 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)O[C@H](C)COC)cc21 586315916 ZNFBNGOIKJVQKI-JFTGJMIGSA-N 423.487 1.496 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N(C)CCOCc2ccc(C#N)cc2)C(=O)N1c1cnn(C)c1 589642161 BDJABDQVAWINEC-DNVCBOLYSA-N 410.478 1.644 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NCC(C)C)n(C[C@@H]3CCCO3)c2=O)o1 590914064 RVWSBYUBWYDDTN-INIZCTEOSA-N 415.515 1.266 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccncc2)c(=O)n1-c1ccc(F)cc1 603787106 SEBJRIQIHNPDRU-UHFFFAOYSA-N 406.442 1.215 30 10 HDEE N#Cc1cccc(NC(=O)CCN2CCN(c3ccccc3S(N)(=O)=O)CC2)c1 615455169 QYGJOBGRQODTFT-UHFFFAOYSA-N 413.503 1.356 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)c(F)c1 616416544 YRELEYQTCOUGSJ-OAHLLOKOSA-N 402.451 1.495 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCCO1 679755200 NIQFRKAKEAKYLP-KRWDZBQOSA-N 423.494 1.816 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1ccc(C)c(I)c1 728112115 BBBKNRSEAOLHCQ-UHFFFAOYSA-N 402.188 1.768 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(C)c1C 730139424 BGTXISRNDFEIBH-INIZCTEOSA-N 419.551 1.049 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)[C@H]1CCS(=O)(=O)C1 731186557 POZHLWDSKZMDKL-ZDUSSCGKSA-N 410.858 1.631 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN1c1ncnc2sccc12 732152396 ALCVCEBIIONALX-ZLMULJHYSA-N 412.475 1.303 30 10 HDEE CCC(C)(C)NC(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732707199 WXLVUASSECAQBK-SFHVURJKSA-N 411.506 1.742 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c2c(c1)C[C@@H](C)O2 736329077 CWURVRCFPBLRCQ-YPMHNXCESA-N 403.909 1.474 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)[C@H]2CCCN2C(=O)c2ccccc2O)c1 746572375 NKQHQPCITVWYGQ-GOSISDBHSA-N 407.426 1.728 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C)[C@H]1CCS(=O)(=O)C1 753135226 GTOSKSVCWFPALC-ZDUSSCGKSA-N 409.420 1.344 30 10 HDEE Cc1c(NC(=O)C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cccc1N(C)C 755552522 NKGYCJYKRPLCNW-ZBFHGGJFSA-N 415.494 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCCC(=O)N1CCN(C2CC2)[C@H](C#N)C1 760814649 VFTGPWTWWDYGNE-SJORKVTESA-N 419.526 1.091 30 10 HDEE CNC(=O)c1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1 767633380 ACQVFILAZHTPOR-ZDUSSCGKSA-N 401.444 1.328 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 771630826 ALTVSYZDLFCKKL-PGRDOPGGSA-N 422.489 1.707 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 773571131 CZBQZZKSMIUVST-WBVHZDCISA-N 400.483 1.652 30 10 HDEE COc1ccc(CNC(=O)NCCOc2ccc(NS(C)(=O)=O)cc2)cc1C#N 773642259 VDYXHVPXLWHPPB-UHFFFAOYSA-N 418.475 1.817 30 10 HDEE C#CCN(C(=O)NCC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 774184577 CQRVJXFVPBPNOY-MRXNPFEDSA-N 406.504 1.567 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 774229338 VVBGZDMFHBNJFO-HOTGVXAUSA-N 409.895 1.277 30 10 HDEE COCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@H]1CCOC1 785708498 BTVZCLSKWMTIGH-XMMQZVGTSA-N 424.523 1.769 30 10 HDEE Cc1cc(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cnn1 786406998 PUHJVTVUESBDQM-UHFFFAOYSA-N 422.401 1.410 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C(N)=O)c2ccc(Br)cc2)n1 789318217 ZDMKYVDNFVKULF-KRWDZBQOSA-N 405.296 1.954 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)n1 801073403 APHOWWBXXBXBGV-SFHVURJKSA-N 409.490 1.728 30 10 HDEE C#C[C@H](NC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1F 804420157 DHZFGRKPIZXZME-KXBFYZLASA-N 421.856 1.885 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 805783394 XDQBRVRDULYJLR-VQTJNVASSA-N 421.563 1.703 30 10 HDEE N#CC1(CC(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 815412083 PDANISIPVYWZMS-UHFFFAOYSA-N 404.448 1.333 30 10 HDEE COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@H]3CCN(O)C3=O)c2)cc1 816694958 RQHJLBISPBQDMJ-KRWDZBQOSA-N 419.459 1.524 30 10 HDEE COc1ccc(Cl)cc1C=c1sc(=C(C#N)C#N)n(C[C@H]2CCCO2)c1=O 917767955 HUYSNJUDXLOHNQ-OAHLLOKOSA-N 401.875 1.777 30 10 HDEE C#CCN(C(=O)CCn1c(=O)n(CCC)c2ccccc21)[C@@H]1CCS(=O)(=O)C1 918755512 AKYAGRIJDGVLPD-MRXNPFEDSA-N 403.504 1.252 30 10 HDEE C=CCn1c(C)nn(CN(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1=S 919955589 AGYNLLCFCMEKAT-UHFFFAOYSA-N 424.571 1.877 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CCS(C)(=O)=O)c(C(=O)OCC)c1C 1124819346 HVXWHTWOJFZATE-UHFFFAOYSA-N 403.478 1.949 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H](OC)C(F)(F)F)s1 1138254841 OPPVLIHVLIOMIG-LLVKDONJSA-N 400.444 1.839 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)cc1 1141479664 SMUJQRNSYKWQPY-SEYXRHQNSA-N 415.515 1.976 30 10 HDEE CNC(=O)CCN(C)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1143765286 FUWLUQLUQWUXAD-SFHVURJKSA-N 400.479 1.987 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)C2=C3CCCN=C3NN2)nc1C 1144387312 HEPYOENJVZAFIQ-UHFFFAOYSA-N 402.509 1.677 30 10 HDEE COc1ccc([C@]2(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C[C@H](O)C2)cc1 1153867178 ZFRDUTGYWBIGOZ-PCLSUMPVSA-N 415.490 1.963 30 10 HDEE Cc1c(C(=O)N2CC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cnn1CCC#N 1157274954 CBEHRLHMFASJPJ-KRWDZBQOSA-N 416.526 1.872 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCc3ncn(C)c3Br)cc2C1=O 1157332219 HNIRAWKTGKUQRV-UHFFFAOYSA-N 417.263 1.937 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)Cn1cc(Br)c(O)nc1=O 1178399517 AIZYPNFYSMADLH-UHFFFAOYSA-N 405.252 1.721 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2cn(CCCC#N)c3ccccc23)n1 1179021569 XSPLLPASOOGPOQ-UHFFFAOYSA-N 400.464 1.538 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c(C)o1 1184273423 RTZJQCSEFPQGBH-UHFFFAOYSA-N 421.431 1.014 30 10 HDEE C#CCOCCN1CCN(CCS(=O)(=O)c2ccc(Br)cc2)CC1 1191070257 JRVFRYKFCVXAEJ-UHFFFAOYSA-N 415.353 1.490 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1197042066 WWEUMYYVFFZRIG-SFHVURJKSA-N 402.470 1.762 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCNC(=O)c2cccc(Br)c2)CC1 1226163227 AKSSOWXLEZRVAM-UHFFFAOYSA-N 408.296 1.739 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1)c1ccc(Cl)cc1F 1230511756 ZWIBVCVUPAPHQV-WBVHZDCISA-N 400.859 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CC[C@](C)(C#N)C2)C1 1248620530 TXKRSALQQQRKOE-RDTXWAMCSA-N 414.528 1.356 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1286277474 DCLIAKVZUJZSKV-JKSUJKDBSA-N 418.567 1.655 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccc(F)cc1 1286464619 CNIAJYPGCBZQLJ-LAUBAEHRSA-N 415.469 1.362 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1286581505 KFYLPXKACIQCRW-MRXNPFEDSA-N 404.540 1.924 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286784223 BGMFUGYGPJUEKK-ZBFHGGJFSA-N 412.469 1.349 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1286821233 DZXWVAFTXNOTBN-KRWDZBQOSA-N 419.482 1.338 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1286987357 FALRUMWXQOUAIH-KRWDZBQOSA-N 423.521 1.681 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1288126146 NRCNNLLRCYZSHP-DQLDELGASA-N 416.526 1.884 30 10 HDEE CC1=CCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1290263228 AIBKKTWBDTULPL-QZQOTICOSA-N 419.489 1.947 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCNC(=O)[C@@H]2CC)n1Cc1ccc(C#N)o1 1292132817 CWKTXWCMTZAQOO-INIZCTEOSA-N 413.482 1.424 30 10 HDEE CCCN1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1=O 1294741160 WXMSHLUFJOGEBG-UHFFFAOYSA-N 424.505 1.702 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCc2cc(O)nc(O)n2)nnc1-c1ccco1 1299918611 UHYLTJPTLRTLRI-UHFFFAOYSA-N 402.436 1.724 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1300308891 QZGKYNIWEOZWLZ-ZIAGYGMSSA-N 406.483 1.834 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1300491732 IHZZLDZLCMJWOQ-YQQAZPJKSA-N 403.483 1.806 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300493806 WAROFBRKBDAUAT-QGZVFWFLSA-N 414.535 1.942 30 10 HDEE C#CCN(c1nnc(COCC)n1CCC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1300504349 MKXHWDIBDGIRBF-ROUUACIJSA-N 424.567 1.791 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cc(C)cn1 1300531614 DHDJUMZWWRSVIU-UHFFFAOYSA-N 412.457 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCn2ccnc2C1 1300559216 LVADCIFCJCCNDH-XXBNENTESA-N 422.533 1.852 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)NCCC)CC1 1300706958 UPWFCWOAHVJULR-UHFFFAOYSA-N 408.550 1.735 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN(CC)C2CC2)CC1 1300725767 JVUAUYKIXNDVBQ-SFHVURJKSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1300760796 GWEAHDUIVPSBPZ-ARFHVFGLSA-N 414.597 1.796 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300993557 CBPYYHYAHXCBKR-LJQANCHMSA-N 414.510 1.198 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@@H](C)C1 1301058574 BZEILIBPUIFXBF-ULQDDVLXSA-N 413.950 1.912 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](F)(C#N)C1 1301457944 BGFUZUMSRNKAST-MOPGFXCFSA-N 405.478 1.369 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cncn2)C1 1301507998 CNTZNNOICZOROV-INIZCTEOSA-N 412.523 1.666 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCN(S(C)(=O)=O)CC1 1301531745 WEUYCHXGXABJNO-UHFFFAOYSA-N 405.524 1.535 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCN(C)C(=O)[C@@H]1C 1301577139 FOMMVMSNTOYZIC-AWEZNQCLSA-N 421.498 1.352 30 10 HDEE C=CC1(CC(=O)N[C@@H](CCC2OCCO2)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1302818823 PBLCIEFYRQQJHB-AWEZNQCLSA-N 412.483 1.611 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCn2ccnc21 1303807996 QLSDMNIQYVHUGN-SOUVJXGZSA-N 420.543 1.401 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCCCC[C@H]2CO)CC1 1307887409 HXCURQAOINUAHR-INIZCTEOSA-N 413.478 1.692 30 10 HDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(CC#CCN1C(=O)c3ccccc3C1=O)C2 1308087757 DNFDOLRMVWXMFR-HNNXBMFYSA-N 406.442 1.564 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1313351915 ZINKBUHWIHZSHN-UHFFFAOYSA-N 406.512 1.461 30 10 HDEE C=CCO[C@H]1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1323728911 MZXUXOZVMPNMNQ-MOPGFXCFSA-N 421.563 1.493 30 10 HDEE CSc1nn(-c2ccccc2)c(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)c1C#N 1355838032 YCXMPWVSXMRRSB-QGZVFWFLSA-N 405.505 1.876 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCn1cc(Br)cn1 1358896272 AMHRPSJASRSBDG-CYBMUJFWSA-N 420.315 1.518 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCOC3)n2CCC(=O)NC)c1 1358902107 FHQOGOZMLDAGCL-QGZVFWFLSA-N 424.505 1.364 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1358910895 DRMOUBQOCBLZJY-CQSZACIVSA-N 400.483 1.628 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccncc1 1358976978 YXXNSWBVLHHKJD-UHFFFAOYSA-N 423.480 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)C(=O)NC 1358984200 MBIZXXIPKOWHSL-UHFFFAOYSA-N 400.527 1.432 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359034440 QTWIEVNMEKXLSQ-SFHVURJKSA-N 407.522 1.318 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359056849 MLJVGWYTIKTTDH-QLFBSQMISA-N 400.570 1.406 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C)[C@H](OC)C1 1359291652 ZEDXOIONLMOOPI-GDBMZVCRSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2cscn2)CC1 1359301853 NKLWRKSQAQXESZ-UHFFFAOYSA-N 403.556 1.558 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](COC(C)C)C1 1359332310 UULWDFFURSHICU-KRWDZBQOSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1359335366 JMHQDYMTRKCIAC-KRWDZBQOSA-N 422.555 1.762 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359341076 KYCWLXIXSHUBIC-SJORKVTESA-N 404.540 1.982 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C2(C)C)c1 1452713075 LPNBCPRZLBZJGB-QZTJIDSGSA-N 407.536 1.380 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1456475252 IAHSKPKOHFUBMK-OAHLLOKOSA-N 413.908 1.571 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCCN43)CC2)cc1 1464031816 JLUMALVBUFJMOQ-HKUYNNGSSA-N 402.520 1.408 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2[C@H](C(=O)OCc3ccccc3)C[C@@H]3CCC[C@@H]32)CCO1 1464473823 CMINVMPAPPEADM-RDGPPVDQSA-N 419.503 1.442 30 10 HDEE Cn1c(S)nnc1CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1464961805 HBRRMFHVKMTNDO-LLVKDONJSA-N 404.883 1.341 30 10 HDEE COCCOC1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOCC1 1468174115 VGSKSVLHFKPPRV-UHFFFAOYSA-N 414.455 1.065 30 10 HDEE C#CCN(CC(=O)N1Cc2cccnc2N2C[C@@H](OC)C[C@@H]2C1)C(=O)OC(C)(C)C 1471121388 FPYFKHBJAVPWEN-MSOLQXFVSA-N 414.506 1.888 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 1471125758 URRIVRZYUPAWGF-SSDOTTSWSA-N 411.299 1.396 30 10 HDEE CCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1Cc1ccccc1 1472369479 FAILSGBADHFSDI-UHFFFAOYSA-N 404.430 1.325 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1479062643 ZLOMDHYNKVSHHU-IBGZPJMESA-N 419.547 1.620 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@H](C)O1 1499781147 DJVCFXYDWZQVNV-YJBOKZPZSA-N 422.493 1.909 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)c1 1502416934 BATGSTXNXSOWLU-PBHICJAKSA-N 409.494 1.623 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC=C 1507538870 XOBZXTABSPMKER-MRXNPFEDSA-N 412.519 1.575 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1cccn1 1507602223 YXQPDHGZEFNZBD-OAHLLOKOSA-N 413.507 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1507739960 WFZNVUYMEDXCSM-OTWHNJEPSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1CSC 1507751084 JSSNDOCDKJGPNV-CABCVRRESA-N 414.622 1.878 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1508018084 LXIAIDHXYMVOKT-MRXNPFEDSA-N 414.510 1.905 30 10 HDEE CC(C)c1nnc(N2CCN(CC3CC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1509014500 OTMALFGZZZIVTP-CZIZESTLSA-N 413.526 1.460 30 10 HDEE CCCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1515116954 MIVLANDEGNISFH-QGZVFWFLSA-N 413.551 1.633 30 10 HDEE N#Cc1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCNC(=O)C2)o1 1521095271 JTUNBDYAMBHKCS-UHFFFAOYSA-N 412.837 1.960 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(OCC#N)c2)CCS(=O)(=O)CC1 1521506630 CUDYZDMGUHMJBY-UHFFFAOYSA-N 422.503 1.742 30 10 HDEE N#Cc1cccc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)c1Br 1525920665 JBOKRSTZYVTSHT-QHSBEEBCSA-N 418.247 1.812 30 10 HDEE C=CCCn1cc(C(=O)N(CC)c2ccnc(CN3CCN(C(C)=O)CC3)c2)nn1 1526475255 PVQPXYQSPJQNEY-UHFFFAOYSA-N 411.510 1.580 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@H](N4CCOC4=O)C3)CC2=O)cc1Cl 1531180846 HEQOVLMUJYOBFA-ZFWWWQNUSA-N 402.838 1.618 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CC(F)(F)F)C(=O)C1 1532024500 YYDAXGNOYDQNOF-GFCCVEGCSA-N 406.405 1.807 30 10 HDEE CCCc1noc2nc(CC)cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c12 1536179664 LBWPFBABSNYIQA-BUXKBTBVSA-N 402.476 1.748 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1539120536 XHZIGEIVKNUFOM-IBGZPJMESA-N 416.570 1.924 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1539178355 HDXJYOOFUOOBAY-MJGOQNOKSA-N 415.563 1.770 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1539224538 HZEZQDNCUSIUHE-MSOLQXFVSA-N 422.551 1.053 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnccc1OC 1539315348 JLJCMMXPFVINGM-UHFFFAOYSA-N 418.457 1.921 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cccnc2OC)CC1 1539454489 PZWJDDXRPGDJPY-UHFFFAOYSA-N 423.546 1.841 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(CCOC)C(=O)C1 1539646685 ZNYJBGAEPIPHSB-YQVWRLOYSA-N 419.526 1.406 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1539811974 JCQAMTZOUZLRMC-UHFFFAOYSA-N 413.869 1.688 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1539981171 DCQNUPVIBDUFBM-UKRRQHHQSA-N 423.543 1.930 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCC(N)=O)Cc2ccccc2)c1 1540711162 JQTVYKZVHHRUCG-UHFFFAOYSA-N 403.435 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1540866682 WTMILKLCLITAQH-GASCZTMLSA-N 415.494 1.878 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCOCC2)C1 1540881457 JSSGJQRIEKWBQS-QZTJIDSGSA-N 418.542 1.016 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCOCC1 1541815050 BJTFYLUHINKMNP-OAHLLOKOSA-N 412.494 1.855 30 10 HDEE CN(C)S(=O)(=O)C[C@H](OC(=O)CCOCC(F)(F)C(F)F)C(F)(F)F 1544944968 APOYJMJAFANRCV-ZETCQYMHSA-N 407.304 1.659 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)c(C#N)c2N)cc1 1545163901 SHFJPPYYHSTNRT-GJZGRUSLSA-N 417.535 1.753 30 10 HDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1546025901 WURAMFDYCPGLBA-IRXDYDNUSA-N 421.542 1.339 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2conc2COC)CCOC1 1547854243 LTYSWSGUCYLMSY-KUHUBIRLSA-N 404.471 1.851 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1548302819 RNPOLFLFBISRBB-WFASDCNBSA-N 420.495 1.002 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555454160 VRUUELRSMIFZJZ-LZICOFPGSA-N 414.510 1.935 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCO)Cc2ccccc2)o1 1555989187 BORULNGJHJKRSU-SFHVURJKSA-N 406.446 1.741 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](C(=O)Nc4cn[nH]c4)C3)ccc2c1=O 1556699567 VSJISGNDNVFQEI-CYBMUJFWSA-N 424.486 1.695 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1ccc2ncc(I)n2c1 1556782975 YTGCPDUXBCNZMX-SECBINFHSA-N 400.176 1.049 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](c2nc(=O)o[nH]2)C(C)(C)C)ccc1F 1557157031 GLVXDMCEZWHXDV-ZDUSSCGKSA-N 412.443 1.484 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 1557969922 MVNRNJRHLZLPRF-KOMQPUFPSA-N 421.519 1.631 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c1 1558937315 DFURYINIZCIMNG-UHFFFAOYSA-N 420.429 1.255 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@H]3CC[C@@H](O)C[C@H]3C2)CC1 1559995975 HKSSGRHAPLUTKZ-KOUHRCEDSA-N 400.498 1.627 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@@H](C)COC 1584372252 LNLSGPOJUGITBV-LBPRGKRZSA-N 405.314 1.777 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1587657905 XDFKFAQGMZTTOE-CGTJXYLNSA-N 405.568 1.893 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CC(C)(C)N1CCOCC1 1588074221 LCKKPFXHEYJVDL-UHFFFAOYSA-N 414.554 1.380 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@@H]2C[C@H]2C)n1 1588722951 INGRLMITTIWNQI-SJORKVTESA-N 408.510 1.817 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C)C1 1594784032 OTKKHAVDHCNQPO-KKUMJFAQSA-N 401.533 1.095 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCOC1 1595094104 NKCPRAXAUXRZIK-QFIPXVFZSA-N 419.489 1.894 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@H](C)C1 1595754322 NAOMYQBUDSZFIT-HZPDHXFCSA-N 409.556 1.597 30 10 HDEE C#CCN(C(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C1CCN(C)CC1 1597349090 KMUBFNBXZFSRRE-UHFFFAOYSA-N 402.520 1.137 30 10 HDEE CCC[C@@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1597580069 CYSPNPXHDQKTJA-LJQANCHMSA-N 409.490 1.724 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)COc2ccc(C#N)cc2)C1=O 1597712269 QVDBOCUZFUKIJK-QGZVFWFLSA-N 401.463 1.776 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCc2c1ccc1c2ncn1C)c1cc[nH]n1 1607680247 GXYWXSRIAUFVEF-UHFFFAOYSA-N 410.434 1.560 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)O)CCOC1 1610894014 GRSPWVKGUFLFCT-LAUBAEHRSA-N 418.542 1.266 30 10 HDEE C=CCC1(O)CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1 1612933943 BREULCZGOZHLDB-UHFFFAOYSA-N 424.523 1.438 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H](C)CN1CCOCC1 1613987457 OFUNRRHQIKWMOI-OAHLLOKOSA-N 411.510 1.344 30 10 HDEE COc1cc(C(C)=O)ccc1OCCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1617486234 BFHXONLHHBBHRX-JXFKEZNVSA-N 420.487 1.454 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCO1 1617894899 ILAOYWLOMWRBIM-CYBMUJFWSA-N 401.160 1.954 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1617969439 JVKKGQJKRDTOAD-LJQANCHMSA-N 407.478 1.992 30 10 HDEE COC(=O)N1CCC(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1618890317 WDXQTZMEBIOHLP-DLBZAZTESA-N 418.498 1.379 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1620081277 YUKUDTPTEXXKJV-HKUYNNGSSA-N 413.478 1.759 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)F)CC1 1620351895 KOFJWWHZRKNTBW-CQSZACIVSA-N 407.400 1.938 30 10 HDEE CCn1c(CN2CCC[C@@H](C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1620565749 AYPLRXWGNWNWJD-INIZCTEOSA-N 417.535 1.813 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)CCC2=O)cn1 1623494672 PDRSMFFFPGLJOQ-YLJYHZDGSA-N 424.480 1.711 30 10 HDEE C=C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1)c1ccccc1 1624590017 CKXZZWDPPRLFCJ-OAHLLOKOSA-N 403.460 1.181 30 10 HDEE COCCN(CCC#N)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1626868244 MUTVMKNWCUKGAQ-OAHLLOKOSA-N 406.487 1.852 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1628991116 BMJMQHFYOPRXBO-MRXNPFEDSA-N 422.356 1.448 30 10 HDEE CCOC(=O)[C@H]1c2ccoc2CCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1629379890 IJJYIKDAELQBAR-LJQANCHMSA-N 416.455 1.755 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)nc1 1629976360 HLVVDLUSYKRXNP-UHFFFAOYSA-N 423.498 1.788 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCN1C(=O)COc2ccccc21 1632426850 NIOHMVYPBHVGMR-UHFFFAOYSA-N 401.463 1.789 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCC[C@H]3CNS(C)(=O)=O)n[nH]2)c1C 1633670768 WUFILDVHAJIKCF-GJZGRUSLSA-N 420.539 1.524 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)n[nH]2)c1C 1635351722 BEVPWSRRZJRXFD-OLZOCXBDSA-N 416.482 1.262 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H](CO)NC(=O)OCc1ccccc1)C2 1636719543 FLOHGOFXCINVRR-HNNXBMFYSA-N 400.460 1.374 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(Br)c(F)c2)C1 1636818249 BZJHKSIPMWZLGD-HNNXBMFYSA-N 409.255 1.789 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(OCc4cccnc4)cc3)C2)c(=O)nc1O 1637506169 QJSYSBZWKBUKJA-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1638537050 FSOQUBMGRIEHGT-UHFFFAOYSA-N 412.393 1.313 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)Cn3nc(-c4ccccc4)oc3=O)C2)nc1 1638905668 AFPOPOOBODSNLO-KRWDZBQOSA-N 404.430 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1639618480 YQKHTPLKIQKQPP-FZJVYVCZSA-N 406.483 1.711 30 10 HDEE C#C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C1CCOCC1 1640925677 OGRNYJOKXNSHAF-INIZCTEOSA-N 410.474 1.943 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1644467131 XDEFHZCOPNSXQP-TZMCWYRMSA-N 402.310 1.749 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN(C)CCO 1644750970 FHGLMULKAJCYIV-UHFFFAOYSA-N 400.273 1.139 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)c1 1644803839 WPABUVSAJXTHKQ-SGNKCFNYSA-N 402.447 1.945 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1ncc(C#N)cc1Cl 1645565227 XWIBRUIWPDZAJS-SFHVURJKSA-N 410.858 1.335 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1 1649560558 GNEHERQISNVGNP-HOLBHBGLSA-N 415.519 1.865 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(C(=O)OCc4ccccc4)[nH]3)C[C@H]1CS(=O)(=O)C2 1653073335 XDMICBNNNBVZIL-MGPUTAFESA-N 413.455 1.382 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(NCCS(=O)(=O)c2cccc(C#N)c2)CC1 1654761120 VXYPCUQFLDAMPF-UHFFFAOYSA-N 423.535 1.684 30 10 HDEE COc1cc(CNC(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)cc(OC)c1OC 1659322664 VPCGGPNHMXQADA-SFHVURJKSA-N 413.474 1.866 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)cc1 1661564263 BNUXYIKJLANZLS-UHFFFAOYSA-N 405.564 1.773 30 10 HDEE COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)N3CC(C)(C#N)C3)cc2)C1 1665426211 CDRIIJOEJZBWAD-AWEZNQCLSA-N 420.491 1.638 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3CCN(c4ccc(Cl)cc4)C3)C[C@H]1CS(=O)(=O)C2 1671028205 XWJZAACMWMKXHE-JCKWVBRZSA-N 408.911 1.498 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1674514045 DUGPCYNCWPKAPU-HNNXBMFYSA-N 421.548 1.698 30 10 HDEE C=C(Br)CNC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1677680626 XNYNPZWMUMIVMY-CVZZAPKMSA-N 409.302 1.093 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)cn1 1684353085 QTIOAKUCLOWCQE-OAQYLSRUSA-N 421.505 1.081 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](c3nccn3C)C(F)(F)F)CC2)c1C#N 1685754026 WIZLZLZTNUDTPY-CYBMUJFWSA-N 410.404 1.469 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1689910735 OXCHNVDLLZNEFH-UHFFFAOYSA-N 419.938 1.844 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1689930105 KQGVUXKPPXORBH-MISYRCLQSA-N 414.554 1.184 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1nnnn1CC1CC1 1689973694 MDXCZQJNPNFTPK-UHFFFAOYSA-N 406.494 1.988 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689979939 JNOZYNXFXQCQIQ-KBAYOESNSA-N 407.584 1.759 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OC)CC1 1690247103 ZXIABBVGSBOEHG-UXLLHSPISA-N 418.498 1.099 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690469718 ZFMMKDKHPFSSKR-BZSNNMDCSA-N 418.542 1.914 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690629978 OCPWZCITJGVGLQ-AAEUAGOBSA-N 405.300 1.947 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@H]4C3)n2CCCOC(F)F)cc1 1698489144 WNVIZHXWACCOQA-HNNXBMFYSA-N 417.420 1.660 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1705481785 MTJFLRFWFWOIMN-DOTOQJQBSA-N 417.535 1.836 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1C[C@@H](C)C[C@@H](C)C1 1705551633 PRSKZZSHDKZMRE-KSZLIROESA-N 407.584 1.618 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705560110 IKKMYMKNPHJPLJ-RDJZCZTQSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1705563786 FNJNHDBDPJODPM-HOTGVXAUSA-N 405.524 1.335 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)Cc1ccccc1 1705587636 CUUOKBBGXFWSKR-LJQANCHMSA-N 412.515 1.817 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCCN1CCCCCC1=O 1705626985 PYTZVPDYEQHARB-UHFFFAOYSA-N 411.510 1.614 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCCN2CC)CC1 1705642535 WZDXTVZWKYEGLW-FQEVSTJZSA-N 410.570 1.379 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCOC2)CC1 1705643918 VCWISESKOSGBHE-FHWLQOOXSA-N 403.527 1.184 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(OC)nc2)CC1 1705648658 VRRPIOFXAQLQRG-SFHVURJKSA-N 424.505 1.200 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705734621 VTLRACNIZQHYNF-KRWDZBQOSA-N 401.515 1.766 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705767695 FFDCPMYZGLUGCO-SFHVURJKSA-N 424.505 1.202 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(F)F)C1 1705901154 BZUYSMJUUQOZTK-LBPRGKRZSA-N 422.436 1.790 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1706075571 PQDBGXNVHKJMSS-DJIMGWMZSA-N 414.485 1.861 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706935017 KKKAGOGNRSUGCZ-AUSJPIAWSA-N 415.498 1.638 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1708722045 ZINMJMRZVKHEJD-OAQYLSRUSA-N 415.542 1.805 30 10 HDEE CCCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1709710706 WROWETVKPRTJAO-INIZCTEOSA-N 422.511 1.360 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1709829052 CFOACPBFFBLWKB-MSOLQXFVSA-N 421.505 1.448 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@@](C)=O)CC1 1710698439 XPLLUWULJNEKAS-GDLZYMKVSA-N 416.507 1.261 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCOC1 1712453570 SLYUOUVLAYURDR-GOSISDBHSA-N 406.874 1.511 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1722382183 FSRQBJQZWQZESQ-OAHLLOKOSA-N 416.478 1.449 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1CCC(=O)N1 1722406121 KSVFDVMXNDNMEV-OAHLLOKOSA-N 413.478 1.709 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722406366 XNAZUOYCTNTDEA-XUTLUUPISA-N 415.457 1.803 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCCO[C@H]1C(C)C 1722418845 FQYRBUJISLHVLM-MSOLQXFVSA-N 405.543 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C2CC2)CC1 1722431345 OAHODJSDMXPIBJ-KNQAVFIVSA-N 417.554 1.499 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCn2cccn2)CC1 1722435395 IAFPRETUHRMVLV-UHFFFAOYSA-N 405.506 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)c(OC)c2)CC1 1722438390 QHAPYIJCTHKJIX-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCCN2CC)CC1 1722439706 MOBXZSAHKBRRDG-NRFANRHFSA-N 407.566 1.894 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCc2ccn(C)n2)CC1 1722440170 FGYBACMLOIUDAW-UHFFFAOYSA-N 419.533 1.631 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1722640834 RZVXNKMTBSRQAM-BBRMVZONSA-N 412.450 1.401 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 1722686486 BGIXKVJOTWGKBM-MRXNPFEDSA-N 417.539 1.752 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1723088294 GCGNGYGRTTVVKP-HXUWFJFHSA-N 414.441 1.888 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCOC1 1723771555 VCVAHJYGODVZPA-YVEFUNNKSA-N 423.315 1.936 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1723773084 DEQAEJZMSSLKJF-OAHLLOKOSA-N 416.507 1.616 30 10 HDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1C[C@@H](F)COC 1727603913 XIFGIYCDPQDDNW-CQSZACIVSA-N 403.462 1.889 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1728801741 DXVJOMXEGQQQDP-RTBURBONSA-N 400.487 1.237 30 10 HDEE CCOCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1729164601 FYWQMQKCLUXDNY-FXAWDEMLSA-N 404.515 1.143 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1740557557 LZKGIFLWYDBBDY-HNNXBMFYSA-N 404.540 1.422 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740565005 GFJNTERFYJEAMN-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C#CCN(CC#C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)OC 1740632562 LWAXIARGXAKTTP-OAHLLOKOSA-N 414.535 1.654 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)coc1C 1740680383 ZSRBLCPOXRYJET-AWEZNQCLSA-N 409.512 1.232 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2Cc2cnnn2C)CC1 1740689860 DTWUPNJRVRMZPD-FQEVSTJZSA-N 404.522 1.752 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(C)nc4ccccc34)n2CCC(=O)NC)CC1 1740691912 CHLXMUKCIRXGKD-UHFFFAOYSA-N 417.517 1.693 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCC(F)F 1740724729 HXNPJYVNRDPSFV-MLGOLLRUSA-N 405.471 1.162 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740850741 KBWRAVZWPOBKII-ILXRZTDVSA-N 424.523 1.897 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCCCO 1747193541 AVQIQVALNUKKRL-INIZCTEOSA-N 414.514 1.354 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1748000174 JEDPRKXWJIXECB-NZKCYVOASA-N 416.482 1.271 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCn1ccnn1 1748671842 NGTBSEWYLAUBRE-QGZVFWFLSA-N 420.525 1.592 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCCCC1 1748948736 UNECPAULDAATIL-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(F)cc(OC)c1 1748961158 WFGHSBGUMDVWIR-KRWDZBQOSA-N 401.442 1.511 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1749043816 KWNDTGGXGYDUCS-IAGOWNOFSA-N 406.552 1.737 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749229716 ORIZCPWWKOTFLF-FUHWJXTLSA-N 418.542 1.805 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749452077 NIMPDEOKRCAMMM-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCN(C)C1 1750066242 HQDCMKJKCDHPRM-QVKFZJNVSA-N 412.494 1.379 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)C1 1750208445 CWZUBZVJRFMPIV-KDOFPFPSSA-N 419.486 1.064 30 10 HDEE C[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1752248865 SRQFVOPYCDAIGZ-DNTCVELPSA-N 407.478 1.637 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1([S@](C)=O)CCC1 1760250780 PPGWMZDAMKNXJO-NDEPHWFRSA-N 401.536 1.651 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCc2nnc(C)s2)CC1 1760262658 VFJPQFIUXPFXEE-UHFFFAOYSA-N 422.562 1.812 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1Cc1ncn(C)n1 1760479108 DFFZXZOJXLRMAW-UHFFFAOYSA-N 412.461 1.976 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](CC)C1 1760557377 JLVOAZFTQRDXDZ-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760678217 VJYUJWLZKXXOCH-ROUUACIJSA-N 407.478 1.058 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1767798847 UASXEESWULWGPW-UHFFFAOYSA-N 412.494 1.585 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1768199898 HKCTTWWLDVQKGV-UHFFFAOYSA-N 424.505 2.000 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC[C@@H]1C 1769092337 YZBYMDIIAXRJJA-WMLDXEAASA-N 403.508 1.723 30 10 HDEE Cc1nc(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)c(C#N)c(C)c1Br 1851381476 ULEZVHWWGXYLJK-CQSZACIVSA-N 421.295 1.796 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)C2CCN(S(C)(=O)=O)CC2)c1C 1851945891 SFIFALKBKZHZFI-UHFFFAOYSA-N 401.492 1.971 30 10 HDEE N#Cc1cc2cc(I)cnc2nc1NC(=O)[C@H]1COCCO1 1852038754 MZUIEODMQOOXJF-LLVKDONJSA-N 410.171 1.460 30 10 HDEE COc1cccc(C#CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1853311715 KWGMPYJDGLIWDA-UHFFFAOYSA-N 414.483 1.498 30 10 HDEE COCC(=NOCC[C@@H]1CCCCN1C)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853549326 SQIRQKRRGSXBDN-HNNXBMFYSA-N 424.523 1.310 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](N(Cc1c[nH]nc1-c1ccccc1)C(=O)CC#N)CC2 1853591194 OMWKLHMHPTZDRG-SFHVURJKSA-N 402.458 1.970 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1853756034 MLTFOEOEJRRXBB-RTBURBONSA-N 417.531 1.516 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C(=O)[C@H]1C 1854312063 JVPUZXAPRPHZEQ-CQSZACIVSA-N 411.549 1.394 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(Cn4cccn4)CC3)CC2=O)CC1=O 1854562873 DEIIAJYQHJOBOK-RBUKOAKNSA-N 413.522 1.005 30 10 HDEE C=CCCC(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)CC3)C1 1854568290 AKQJYGQSCOWVHV-KRWDZBQOSA-N 408.476 1.405 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1855042478 ZGWLICJQQRLPSL-HOTGVXAUSA-N 402.520 1.553 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(N(C)C)nc2)CCN1CC(=O)c1ccc(C#N)cc1 1855122537 RVZWWBVMJXQGNH-OAHLLOKOSA-N 405.458 1.575 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cn(C)nn2)CC1 1855593298 MCYVWCPTFWWEMA-UHFFFAOYSA-N 415.475 1.275 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855740092 NZYTXKZBKKBQTE-NVXWUHKLSA-N 400.479 1.074 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](C3CCN(C4C(=O)CCCC4=O)CC3)CC2=O)ccn1 1855817758 ABMPNGCRXARZPP-MRXNPFEDSA-N 408.458 1.345 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC(S(=O)(=O)C4CCCCC4)C3)C2=O)ccn1 1856469991 JYZNPXUKIAIZJA-GOSISDBHSA-N 416.503 1.126 30 10 HDEE N#CCCN1CCN(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCC2 1856630913 AWUFMGIHYDCCGX-UHFFFAOYSA-N 421.494 1.887 30 10 HDEE N#Cc1ccc(OCCN2CC[C@@H](N3CCN(C(=O)C4CC=CC4)C(=O)C3)C2)cc1 1856728484 JKXPNUOZULZZJN-HXUWFJFHSA-N 408.502 1.648 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2nc3ccccc3o2)C1=O)[C@@H]1CCN(C)C1=O 1856741736 UVYNBBVKCMMZOX-DLBZAZTESA-N 410.474 1.607 30 10 HDEE CC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)CC1 1857286527 BVSOHRNJNMSYRO-PKOBYXMFSA-N 400.523 1.636 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)C[C@@H]2CCCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857457054 DJOOKJQPWXDGBF-CABCVRRESA-N 405.476 1.957 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858311987 GSFNOWZEERNREL-HUUCEWRRSA-N 408.380 1.442 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862740497 FEOQXKMBVQIRDQ-QGZVFWFLSA-N 414.370 1.967 30 10 HDEE C=CCN=c1nc(Nc2ccc(S(N)(=O)=O)cc2)[nH]c(N(CC=C)CC=C)n1 1871507223 JVOOVFYJCXUVAN-UHFFFAOYSA-N 401.496 1.461 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@@H](C)O)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871576409 REFOUDQHICEIJY-GFCCVEGCSA-N 419.873 1.992 30 10 HDEE COc1ccc(CCN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1 1873527782 QJOCUCLHHAJRDO-UHFFFAOYSA-N 400.504 1.917 30 10 HDEE Cn1cc(-c2cncc(N3CCN(S(=O)(=O)c4cccc(C#N)c4)CC3)n2)cn1 1891613650 MDHPKRYERBOGHP-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)CC1 1892314770 PFPRGRJMJFXJJQ-UHFFFAOYSA-N 400.442 1.521 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1895647866 UQFRFSZKSLZYQC-TUAOUCFPSA-N 411.318 1.449 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](F)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174790189 ZTLPZYGEIAXVCL-PBHICJAKSA-N 404.508 1.796 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N[C@H](C1CC1)C(F)(F)C(=O)O)C(F)(F)F 2180581282 NGOUJFSUPQUCJP-MLUIRONXSA-N 400.222 1.601 30 10 HDEE C[C@@H](c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H](C)S(C)(=O)=O 2186591499 PFBJRULIJRMRIJ-NWDGAFQWSA-N 401.359 2.000 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(=O)(=O)Cc1ccc(C#N)c(F)c1)C(=O)O 2195346327 ZAHZCBWISNGLMM-AWEZNQCLSA-N 400.428 1.980 30 10 HDEE COC(=O)NS(=O)(=O)NCc1sc(C)c(C)c1B1OC(C)(C)C(C)(C)O1 2237715966 JZMBKKKCSVZQSH-UHFFFAOYSA-N 404.319 1.355 30 10 HDEE CC1(C)CCC(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)CC1 2240157463 RRBWLHXLFTVXHI-UHFFFAOYSA-N 401.363 1.970 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COCC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243678106 FDAYCSBINMPHBD-CABCVRRESA-N 408.304 1.667 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247919393 QSEKIMDPFBWHKE-LBPRGKRZSA-N 423.323 1.147 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258163156 ZPRQBNDSUFLUTI-ZBFHGGJFSA-N 411.480 1.266 30 10 HDEE C[C@@H]1OCC[C@]1(O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281965248 AODDBRVIJBOSQG-BTDLBPIBSA-N 401.721 1.970 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@@H](O)C3)cc2Cl)OC1(C)C 2282311488 JDDLWTBHTMOGTQ-JTQLQIEISA-N 423.749 1.083 30 10 HDEE COCC[C@@H](CO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282314829 FZPATLDGSYQQCV-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE CC(=O)NCCN(C)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325172 AQBIERLJMCHTJK-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE C[C@H]1CC[C@@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332915 IDGDPNODHZMXEL-STQMWFEESA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCC[C@@H]3CO)s2)OC1(C)C 2282340343 DSEVSXGTMFVIQC-QWHCGFSZSA-N 401.359 1.734 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@]2(C)CCN2)OC1(C)C 2282500185 IRPNCKFILYMWTH-KRWDZBQOSA-N 400.375 1.609 30 10 HDEE Cc1nc(S(=O)(=O)N[C@@H]2CS[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282508208 SLZMBKYWEUYETR-JQWIXIFHSA-N 401.363 1.200 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@@H](F)C[C@H](F)C2)OC1(C)C 2282836050 FCNOBBUQOYDBSN-QWRGUYRKSA-N 408.301 1.654 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCS[C@@H](CCO)C2)OC1(C)C 2282870147 NPJICELMPYJVRG-LBPRGKRZSA-N 419.399 1.536 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284400115 RTNZEPVLQMCCLF-SNVBAGLBSA-N 403.331 1.745 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CC[C@H]2C(=O)O)OC1(C)C 2284412892 YLODXRQQJZBFGT-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC/C=C/C(=O)O)ccc2Cl)OC1(C)C 2284414378 HAVJKNCKOCFJGG-AATRIKPKSA-N 401.677 1.558 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@]3(C)CCC[C@H]3O)c2)OC1(C)C 2286911591 ZGOGWCDSIKNJRV-CXAGYDPISA-N 401.359 1.877 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=NNC(=S)NCCCNC(C)=O)cc1 2330421952 UELKDKJHQOASRA-UHFFFAOYSA-N 407.540 1.258 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1 2351014548 ZTVSDUFCXBNOLC-MBOZVWFJSA-N 420.487 1.021 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@H]2CC[C@H](S(C)(=O)=O)C2)OC1(C)C 2362569912 RGPQAVHSFZXBTR-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2365206574 ZNIQFMHBAZTYRV-ARFHVFGLSA-N 404.573 1.559 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCN(C)C)NC(=O)OC(C)(C)C 2367788021 NNMNEGYJCRIWFD-HZPDHXFCSA-N 401.573 1.390 30 10 HDEE CCN1CC(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2368587499 XGBWOBLLZORURG-UHFFFAOYSA-N 420.793 1.931 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CO2 2368927277 BYIULKJMIAWYHH-LPRCSBTHSA-N 401.525 1.494 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC1(C(=O)O)C[C@H]2CS(=O)(=O)C[C@@H]2C1 2377813212 SNDZZZGJROIZNK-KBPBESRZSA-N 402.513 1.325 30 10 HDEE Cc1cc(O)cc(O)c1C(=O)O[C@]1(C)C(=O)C=C2C=C(/C=C/C(=O)O)OC=C2C1=O 5941519 ZJIWQCFXEQSFGR-YEFOHOTDSA-N 412.350 1.839 30 10 HDEE C=CCN1C(=O)CSc2cnn(CC(=O)NCc3ccc(Cl)cc3)c(=O)c21 65132970 AHWQRBVQHHNAHK-UHFFFAOYSA-N 404.879 1.838 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)c1 108300715 QCPVIFMOEYXTLT-VPMFXMNOSA-N 418.519 1.839 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c(OC)c1 238879846 OZCPZVAEXOGQLQ-AWEZNQCLSA-N 404.448 1.598 30 10 HDEE COCCN(Cc1sccc1Br)S(=O)(=O)N1CCO[C@H](C#N)C1 410403037 VTFSHXNSYKXOIJ-LLVKDONJSA-N 424.342 1.428 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(F)(F)F)nc2OCC)CC1 429729998 KGNCNLJPKKFVJG-UHFFFAOYSA-N 400.401 1.559 30 10 HDEE CCO[C@H]1C[C@@](NC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)(C(=O)OC)C1(C)C 444559960 COJPGRXOIXRADB-HRAATJIYSA-N 411.462 1.803 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2F)CC1 445642047 KKRJBANKQHVJAO-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE COc1ccc2c(=O)c(C(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)c[nH]c2c1 473093024 DRJPNDUFLUERNS-UHFFFAOYSA-N 406.446 1.413 30 10 HDEE Cc1cccc(F)c1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 475550294 HPYWVAJTINJMIL-UHFFFAOYSA-N 423.491 1.701 30 10 HDEE N#Cc1ncccc1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 477091663 UJMOQZSZUDQRCA-UHFFFAOYSA-N 404.423 1.004 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O 477203444 GWUIBFQFMXNFPO-OAQYLSRUSA-N 412.490 1.912 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)O)c1 485813398 KWKMXQXYKVNPRZ-INIZCTEOSA-N 420.462 1.963 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)N[C@H]3CCC(=O)NC3=O)c2)c1 512496037 GGFTTYOHEYLTFT-SFHVURJKSA-N 405.410 1.800 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2cccc(F)c2C1 513080837 OPZTXEJQIDYXBY-ZDUSSCGKSA-N 403.435 1.785 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)N2CCC(Cc3ccccc3)CC2)CC1 517663472 GLQDSVVULXTXFL-HXUWFJFHSA-N 412.578 1.776 30 10 HDEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CC(N)=O)c1=O 547328987 DVRTUAHMAILJHV-UHFFFAOYSA-N 415.902 1.229 30 10 HDEE CN(C)Cc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)ccc1F 572084393 PJVHLVPLTCHPAH-UHFFFAOYSA-N 404.467 1.354 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 575411808 CPNLEQJRRLSJMD-UHFFFAOYSA-N 406.552 1.773 30 10 HDEE COc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1 577103779 AENOHOIHPVNWSI-UHFFFAOYSA-N 405.520 1.796 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 580057982 ZOZRYGAMNXMXLH-ZMSDIMECSA-N 408.499 1.358 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 582741294 AIZNCDOGCFJPAJ-FUHWJXTLSA-N 422.526 1.748 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(Nc4ccccn4)ncn3)CC2)cc1 585484960 AJQXTEFDZAIOEU-UHFFFAOYSA-N 421.486 1.998 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)C1(S(C)(=O)=O)CC1 588212121 CQEUTUSALHJPAA-GFCCVEGCSA-N 407.496 1.221 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(N3CCCCC3)c2)CC1 604165877 LKZVVRRLUCHGOH-UHFFFAOYSA-N 400.527 1.201 30 10 HDEE C[C@@H]1C[C@@H](N(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN1C 610177694 AJKDENWWZNVKIN-APWZRJJASA-N 418.563 1.900 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCC(C#N)(c3ccccn3)CC2)C1=O 619695682 IDUSICKRRKWKOU-YCRPNKLZSA-N 410.478 1.369 30 10 HDEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)C1=O 619843531 JIFAUUZKUCNWQL-SFHVURJKSA-N 424.432 1.952 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C(=O)N[C@@](c2ccccc2)(C(F)(F)F)C1=O 726364875 HGCDJCSRUOWTHI-QGZVFWFLSA-N 407.352 1.652 30 10 HDEE CCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 727990135 NGXAMGRMQFTSKK-VHAMKEJYSA-N 424.548 1.749 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1Br 732893352 CWSPDLQLXUJNIZ-ZDUSSCGKSA-N 407.268 1.595 30 10 HDEE COc1cccc([C@@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)N2CCCC2)c1 733886066 GHAIHMAHCSAYAF-KHOFPDMRSA-N 412.490 1.865 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 734293433 VLMPEZDRTHTGJI-UHFFFAOYSA-N 423.472 1.167 30 10 HDEE C#CCN(C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 772122676 YGGNWIHOXGFGEP-CABCVRRESA-N 416.565 1.378 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)Nc2nc3c(cc2C#N)CCCC3)c1=O 776350892 RJVWDUNPRPMSOY-UHFFFAOYSA-N 403.442 1.967 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2 782402638 PETPKAFSSFESGM-QGZVFWFLSA-N 424.251 1.991 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(C)(=O)=O)ccc2CC)n1 788819576 KJQKRIPYAZUPTF-UHFFFAOYSA-N 403.504 1.771 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790290490 NVVVXTQWYOVAKD-BEFAXECRSA-N 415.556 1.872 30 10 HDEE C[C@H](OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1)C(=O)NC1(C#N)CCC1 796424079 KCQQVNZQXRIQEO-LXZKKBNFSA-N 415.494 1.602 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)cc1C(F)(F)F 800383375 RRSVUEISMNKMQB-FJOVAFFXSA-N 422.384 1.709 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 803521937 SIVXIQGEINOAMP-LJQANCHMSA-N 400.500 1.664 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCc2ccn(-c3ccccc3)n2)cc1C#N 804107715 UQVIPJIXRPVEAR-UHFFFAOYSA-N 403.442 1.728 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(S(=O)(=O)CC)cc1)[C@H]1CCS(=O)(=O)C1 807270734 XKSIMGBGDCJXKR-ZBFHGGJFSA-N 412.533 1.373 30 10 HDEE CN(C(=O)NCCn1cnc(C#N)n1)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 807510775 PSUMPTWPYOTTPA-YIONKMFJSA-N 403.487 1.722 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816674055 PBSTUOKDYHSNCK-DZGCQCFKSA-N 415.309 1.103 30 10 HDEE Cc1ccc(-c2nnc(CNC(=O)c3cccs3)o2)cc1S(=O)(=O)NCC#N 1117227690 BWVGTIFWOKYIJU-UHFFFAOYSA-N 417.472 1.838 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1124368529 YXADKQWROZHOIA-ZDUSSCGKSA-N 415.309 1.320 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H]1c1cccnc1 1126036134 APOCVICPTKYREA-NNWRFLSQSA-N 419.485 1.216 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1129008957 HXDBQQOLRDPWPI-SJORKVTESA-N 422.503 1.334 30 10 HDEE N#C[C@@]12CN(C(=O)/C=C\c3ccccc3OC(F)(F)F)C[C@H]1CS(=O)(=O)C2 1134055991 JELXWNGGDCZYII-KOSBQPCFSA-N 400.378 1.995 30 10 HDEE N#C[C@H](NC(=O)c1cnn(C[C@H](O)CO)c1)c1ccc(OCc2ccccc2)cc1 1136591963 JYBNEGOTSLLVTL-FPOVZHCZSA-N 406.442 1.810 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)c1 1137113928 ADJCGDRKJWQSNW-KRWDZBQOSA-N 414.487 1.061 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@]4(CNC(=O)C4)C3)C2)C1 1139541955 YINSABRKOMDWGD-XTIIMXRNSA-N 402.495 1.512 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1 1144335116 RMSNXUMKNBNZRM-CQSZACIVSA-N 403.435 1.173 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1149431518 BVXHOODOSMIWBB-UHFFFAOYSA-N 404.430 1.855 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1 1149461697 AFSIKGLPMZSNNY-UHFFFAOYSA-N 412.471 1.362 30 10 HDEE Cc1nn(C)c(N2CCC2)c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1168906945 HNWZQDYZDCVUCM-MRXNPFEDSA-N 421.461 1.654 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccnc(-c3ccc(Cl)cc3)n2)CC1 1175514988 MXEOBGJXRMKZAE-UHFFFAOYSA-N 419.894 1.022 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccccc3Br)C2)c(=O)nc1O 1180999571 BSVDEDKDADWOAC-UHFFFAOYSA-N 405.208 1.045 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1196164943 XRKUFRSQJNIXCP-UHFFFAOYSA-N 403.460 1.613 30 10 HDEE C#CCN(C(=O)NCCC(=O)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1223056020 QAUACOWDAZWOIP-UHFFFAOYSA-N 422.526 1.280 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@H](NC(=O)NCc2nc(C#N)cs2)C1=O 1235545431 OLBLXYGZCYUFAL-ZDUSSCGKSA-N 407.496 1.537 30 10 HDEE COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCC(=O)NCC#N)cc1OC 1258172656 JLLYDSLHQZLISE-UHFFFAOYSA-N 419.441 1.926 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1286338386 MATZIMIYWLDCCO-UHFFFAOYSA-N 419.493 1.847 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H](C(F)F)N1CCOCC1 1286433133 LYMVGGKKTNAVQK-INIZCTEOSA-N 424.496 1.330 30 10 HDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1286501542 XWJMSWQMXPGOJC-GOSISDBHSA-N 413.547 1.825 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 1286634459 WLOLDOCNXXQTPW-GOSISDBHSA-N 402.543 1.517 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1286749681 XQMQNMRDOJWULS-BEFAXECRSA-N 403.508 1.635 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 1287988951 NRIXEOFEIFJDEP-UHFFFAOYSA-N 413.883 1.653 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1288524747 GNDSSXKEDXMJSD-BZUAXINKSA-N 423.539 1.462 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)Cc1cccc(OCC#N)c1 1288694091 LJSNZHXHOQTWKT-UHFFFAOYSA-N 408.458 1.022 30 10 HDEE Cc1nc(O[C@H](C)C(F)(F)F)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1289437586 ZPSQJRHFQPUINB-BFQNTYOBSA-N 417.409 1.730 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1290053449 DYSWSKREMOHBGS-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCN2CCOCC2)cs1 1290417121 FZNXULIGGQMYIH-LJQANCHMSA-N 419.530 1.798 30 10 HDEE C[C@H]1CCC[C@@]1(O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCS(C)(=O)=O 1291077401 ASNKHPGYTCIDQC-MGPUTAFESA-N 417.535 1.849 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)(F)F)CCO1 1291217729 HMRFRCXQAMUXIO-GFCCVEGCSA-N 408.384 1.720 30 10 HDEE CCc1nc(C)c(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)o1 1292697028 VSNHGPDXXZSYAG-DAYGRLMNSA-N 416.482 1.638 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC 1296884680 GEBSCQKCAFDRSI-OAHLLOKOSA-N 414.466 1.121 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C2 1297335378 JGCUQWFTAGJYEN-HTAPYJJXSA-N 420.506 1.675 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1300309801 VKTDFTPUSQJMKA-HIFRSBDPSA-N 416.507 1.177 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ncccc1Cl 1300430519 NMUGUDBCNAXDBP-GFCCVEGCSA-N 412.903 1.085 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccn(C)n2)n1 1300681013 JMXNVBMUKAYKPV-QGZVFWFLSA-N 424.509 1.047 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCCN2CC)CC1 1300682353 GQUOIQKJDIGOLB-OALUTQOASA-N 404.559 1.242 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSC(F)(F)F)CC1 1300698354 RJHCXXXOMHVTHY-LBPRGKRZSA-N 402.446 1.237 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC(C)C)C1 1301017273 IDDFHWOCRNHNJB-ZIAGYGMSSA-N 421.951 1.271 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1301450055 MWMKMZMIGQQVSY-APWZRJJASA-N 410.526 1.300 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301514287 IQHAGGSXQGFXOF-AEFFLSMTSA-N 413.522 1.929 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1301568431 GSSPVEDYQLJKOM-UHFFFAOYSA-N 421.498 1.289 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1301960678 ZNAGJUSDLCOWRW-ZBFHGGJFSA-N 422.484 1.630 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN(C)C(=O)OC(C)(C)C 1301970021 BFUAHKNVSZSFMP-HNNXBMFYSA-N 419.530 1.863 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCc2cccnc21 1303411205 JBOZLCOPCXXHBT-IRXDYDNUSA-N 409.494 1.660 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1303644432 JQZFJXAQEWKLMY-YJBOKZPZSA-N 412.494 1.712 30 10 HDEE C#C[C@H](NC(=O)NCCNC(=O)c1cccc(Br)c1)C1CCOCC1 1311827902 DXLZVIRPXCAWOB-INIZCTEOSA-N 408.296 1.907 30 10 HDEE CN(C)C(=O)C1(Cn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1314627740 HRWJTWBSOAFUEP-KRWDZBQOSA-N 409.494 1.717 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1315565541 AFNOPPMUJNRHIJ-CQSZACIVSA-N 424.383 1.361 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1(C)C 1315721152 YSXITXCWLRIVSQ-INIZCTEOSA-N 418.523 1.227 30 10 HDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1315751261 CPLYZTAHUNUDEH-UHFFFAOYSA-N 410.478 1.434 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCN(C(C)=O)C1 1316101727 OHSZRKCCNIXKDR-RTBURBONSA-N 418.542 1.797 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC(C)(CN3CCN(C)CC3)CC2)cc1C#N 1323843630 CJYDZWGWSYQFCH-UHFFFAOYSA-N 403.552 1.870 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1338211579 QAOCWEQZLPFKRN-OAQYLSRUSA-N 408.414 1.317 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1358937580 AQMAJDWXZPKLOY-AWEZNQCLSA-N 405.499 1.829 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CC[C@]2(CCOC2)O1 1358970641 UHWXFKGDZSLNDP-WAOWUJCRSA-N 402.495 1.413 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1COCCO1 1358976177 UEZJTGKDNLFGSX-FQEVSTJZSA-N 402.458 1.619 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@H](C)CN1CCN(CC)CC1 1358977355 KSNLOQIUGFFBPP-NHCUHLMSSA-N 412.582 1.866 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1359126456 PUHKFBACWMLSTD-MSOLQXFVSA-N 419.526 1.491 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1CCS(C)(=O)=O 1359259526 YSUDRGCAGMZPOJ-UHFFFAOYSA-N 417.535 1.638 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCN(c2ncccn2)CC1 1359303364 LMFGBBMKNFBPKT-UHFFFAOYSA-N 424.534 1.349 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCn2ccnc2C)C1 1359312058 MUTHEHZOTOKCFQ-GOSISDBHSA-N 413.526 1.891 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1359455984 JRNLCDXGMFVXMK-FQEVSTJZSA-N 418.505 1.520 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359721778 FFAGKJYUHNPEJV-RDJZCZTQSA-N 400.458 1.614 30 10 HDEE CN(CC(=O)N1CCc2cc(C#N)ccc21)S(=O)(=O)c1cccc([N+](=O)[O-])c1 1436667879 LEZPYAURDBKULR-UHFFFAOYSA-N 400.416 1.676 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C1(c3cccc(C#N)c3)CC1)CCS2(=O)=O 1439956188 ZQWSSMJDISDDCF-RYZJOYRSSA-N 416.499 1.605 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc(O)n2C)cc1 1441890813 JJAJXBCOFHLDMT-PGMHBOJBSA-N 405.480 1.971 30 10 HDEE CN1CCN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2Cl)CC1 1442974344 QUOMDBGKZOOMGL-UHFFFAOYSA-N 416.869 1.255 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)CC1=O 1453387134 CRISJLMVJQQZGB-IAGOWNOFSA-N 415.563 1.601 30 10 HDEE C=CCN(C(=O)c1cccc(-c2nnc(CCOC)o2)c1)[C@H]1CCS(=O)(=O)C1 1456084652 JMUKZXIZPYWBRU-INIZCTEOSA-N 405.476 1.741 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cncs1 1456572832 GWWBZDLLZGSNBF-CYBMUJFWSA-N 420.516 1.740 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3NCc3cccnc3)C2)c(=O)nc1O 1457196093 CBQLPILQBXCOBJ-UHFFFAOYSA-N 402.414 1.525 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)ccc1F 1463116881 BXXPWUKCQHELQN-CVEARBPZSA-N 412.483 1.700 30 10 HDEE CO[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1Br 1463162575 CDSPYYAUHRTDFV-SGIREYDYSA-N 413.293 1.533 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)C1 1469628958 LZTLWURMRNOVJP-SFHVURJKSA-N 406.552 1.518 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(C)OCCc2ccccc21 1471553045 MDCMJWKATJHXMJ-QVKFZJNVSA-N 413.499 1.829 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1478403922 OEZSCPBKVKPGFY-BBWFWOEESA-N 410.563 1.317 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCC[C@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1 1479620966 QGNZRMBRRUMGER-HOTGVXAUSA-N 402.461 1.916 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1504965643 PCGSTXRNYCNGQB-MDYRTPRTSA-N 422.505 1.703 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CC1CCN(CCN(C)C)CC1 1507537737 NSTLIBZJQQLMNQ-LJQANCHMSA-N 409.582 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1507541822 IQNGIEORIXPVGI-HNNXBMFYSA-N 401.492 1.621 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1507592110 PWQYPAUHFXTZQG-KRWDZBQOSA-N 416.551 1.711 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507596673 MNRLRECXXSXKMQ-YSIASYRMSA-N 414.554 1.532 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1507632408 KTWMXVBOCIYATG-CVEARBPZSA-N 420.560 1.713 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1cccc(F)c1F)[C@@H]1CCS(=O)(=O)C1 1507634402 NEOLWLWEZOPCAR-OAHLLOKOSA-N 408.474 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CC2(O)CCN(C(C)C)CC2)CC1 1507722273 SIRUCFQEUVWIHG-IBGZPJMESA-N 402.587 1.782 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N2CCC[C@@H](C)C2)CC1 1507724759 JEWQGDYUVPKAQF-RTBURBONSA-N 410.570 1.554 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@H]1COCCO1 1507997748 XKPKJJSSJRFJFV-IBGZPJMESA-N 424.505 1.896 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1cccc(OC)c1 1508085933 IPGYZJKMYSVBSI-ROUUACIJSA-N 424.505 1.882 30 10 HDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1512470860 CBOOASHJJAFPPY-DNTCVELPSA-N 423.477 1.015 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1516810460 QQOGBGCWBOQZLJ-UHFFFAOYSA-N 412.475 1.802 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@H]2C)n1CCN/C(O)=C1/N=CC=CC1=O 1519295964 FPFFKBWRHXBUFG-LTDXQCTPSA-N 418.498 1.517 30 10 HDEE CCN(CCCNC(=O)Cc1ccc(Br)cc1C#N)S(C)(=O)=O 1527804954 IUXMFSHHIHPGAT-UHFFFAOYSA-N 402.314 1.651 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)c(C#N)n1)N1C(=O)NC2(CCCC2)C1=O 1529893272 OVSWQUKCFQHDRI-VIFPVBQESA-N 406.240 1.907 30 10 HDEE C#CCN(C(=O)c1ccc(OCC(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 1530297851 OEIBETTWFAXVJF-INIZCTEOSA-N 407.488 1.670 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2coc(C#N)c2)CC1 1533048787 KCNTVQJYGYBMHX-UHFFFAOYSA-N 409.851 1.960 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CCOCC1 1538243865 JWAHSJWJUQYGBR-CALCHBBNSA-N 420.531 1.787 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2CC(=O)NCC=C)c1 1539042523 HISZLUZKRVPBEO-UHFFFAOYSA-N 406.490 1.904 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCCS1(=O)=O 1539194527 CEFXDKKTAXCSAA-UHFFFAOYSA-N 417.535 1.579 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1C/C=C\CC)[C@@H]1CCS(=O)(=O)C1 1539204111 YWKZXFQATUJITI-DOOKAGJSSA-N 421.567 1.789 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539215438 CAYPMXMKYYUMJY-JXFKEZNVSA-N 406.552 1.723 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[C@H]2CCCCO2)CC1 1539459582 KXEFBIHEXDLRGI-HXUWFJFHSA-N 411.554 1.854 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@]2(C)COCCO2)CC1 1539476317 VMGUERNIJXUOOI-QFIPXVFZSA-N 424.505 1.111 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)C2CC2)CC1 1539517169 JJZPVUCEBZJNNK-MRXNPFEDSA-N 403.552 1.643 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1540057848 KFLWBVBRERNVCT-UHFFFAOYSA-N 409.498 1.705 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCO2 1540199346 ZBWLRKPOFSXJTB-INIZCTEOSA-N 413.478 1.688 30 10 HDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1540854297 XEYJTGURFGBSJR-GFCCVEGCSA-N 405.528 1.433 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCC[C@@H]1C 1540869124 CCWJTXXGNWGCHK-HNNXBMFYSA-N 421.505 1.966 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncccc2N(C)C)C1 1540889737 SSJIHCYESJYJLQ-QGZVFWFLSA-N 408.510 1.969 30 10 HDEE CC(C)(Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1541242959 ZZNDIIGRWNVAHY-KRWDZBQOSA-N 416.551 1.770 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](Cc3nccn3C)C2)s1 1545485597 PUJWNYNXJHLSEX-HNNXBMFYSA-N 422.576 1.970 30 10 HDEE CCCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1547249337 WVZBZBATSFTVFJ-INIZCTEOSA-N 410.526 1.911 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1547250183 AXPBKNKNYAOHKI-SJORKVTESA-N 407.478 1.058 30 10 HDEE N#Cc1cnc(N2CCN(CC(=O)N3CCCc4ccccc43)CC2)c([N+](=O)[O-])c1 1559104527 NKZGMPIWUWCEKR-UHFFFAOYSA-N 406.446 1.963 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2c(F)cccc2F)c1=O 1559448751 OMMDYGQIFSBXCM-UHFFFAOYSA-N 420.372 1.140 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@H]1CCCO1 1562645991 HECYZUPPJKDZHV-NVXWUHKLSA-N 407.492 1.232 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 1570279930 YAVJJATZRPELAK-MAUKXSAKSA-N 415.515 1.756 30 10 HDEE C=C(C)CONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1583435084 OFGXMEGPCNRXAP-UHFFFAOYSA-N 424.260 1.779 30 10 HDEE Cn1cc(C2=CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)cn1 1584180249 IROXVBKIKADZLP-UHFFFAOYSA-N 413.503 1.555 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1587562316 NXAZZGURLOHTIR-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1587641213 YTJGCQLGEWRJDJ-IHRRRGAJSA-N 400.595 1.487 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1587706951 VARDBMXETJSOSO-CVEARBPZSA-N 419.555 1.419 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1587904791 OQEAVHIFURGIEL-UHFFFAOYSA-N 400.870 1.233 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCOC[C@@H]1OC 1587931786 DVAFTPYLTMETIM-WMZOPIPTSA-N 418.519 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)c1ccccc1 1588124879 UYVBGJHXEJAJRP-UHFFFAOYSA-N 406.471 1.282 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCC[C@@H](C)C1 1588559499 IXZCPXZTUOZDTA-QZTJIDSGSA-N 404.559 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1588659207 FRUHGATUNYYXBS-NRFANRHFSA-N 401.486 1.161 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCOC[C@H]2C)CC1 1588751218 JOOQFMIKGSNOMI-DXIQSLLYSA-N 417.554 1.358 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCO[C@@H]2CCOC2)CC1 1588806644 YCZMVMXBVWOWNM-LJQANCHMSA-N 410.522 1.599 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1589059518 GTMGOWCXULBLFS-KBPBESRZSA-N 400.512 1.066 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCS(C)(=O)=O 1589259745 PXBDYMZHUQSUQL-TXPKVOOTSA-N 410.540 1.429 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1589514454 GLXSZSQTBLCAFI-NUJGCVRESA-N 419.551 1.888 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1589569356 OTUMBRYOVGBYLU-FCEWJHQRSA-N 416.526 1.049 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)c1 1593726217 DWCVAHJFFRXBGJ-HXUWFJFHSA-N 415.471 1.111 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN(c2cnccn2)CC1 1593730108 RNVGLIPFRDMHFZ-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1594713689 JYICKIZDXWBERS-UHFFFAOYSA-N 411.510 1.777 30 10 HDEE C=CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1594992699 PEZRRRYGTOXILY-HXUWFJFHSA-N 420.535 1.646 30 10 HDEE C=CCN(c1nnc(Cc2cn3ccccc3n2)n1CCS(C)(=O)=O)C1CC1 1595062623 USRJRKRJHNRQOM-UHFFFAOYSA-N 400.508 1.716 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCc2sccc2C1 1595537619 UHGCBJPTACSKKP-CQSZACIVSA-N 400.508 1.546 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1595556302 QULVYHGWFZOMQC-APWZRJJASA-N 412.513 1.983 30 10 HDEE COc1cnc([C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)nc1O 1603345405 FOTBPUXVNWGXID-ZBFHGGJFSA-N 407.430 1.779 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1C#N 1609507092 FMNTXWDQXRJLAQ-NSHDSACASA-N 402.405 1.703 30 10 HDEE COc1cc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc(Cl)c1OCC(N)=O 1611534319 UDKUKOIKSKQIPR-UHFFFAOYSA-N 408.838 1.691 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)no1 1611956044 HWUQOUVSOPMZDX-VQIMIIECSA-N 402.455 1.392 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1614864836 SIEMVBKDPIVMEQ-GUXCAODWSA-N 403.506 1.936 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H]1C 1615760884 GNXRRHOBOXFPJO-DLBZAZTESA-N 420.525 1.812 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CCO1 1617894900 ILAOYWLOMWRBIM-ZDUSSCGKSA-N 401.160 1.954 30 10 HDEE COc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)cc1F 1619271271 AQYPPRSIZUICRA-CHWSQXEVSA-N 424.502 1.823 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCS2)CCO1 1620355088 GSXZWIOVRRMBAJ-ZNMIVQPWSA-N 411.553 1.195 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cnc(C(F)(F)F)nc2)c1 1622347014 URDBUTVCQLZEPP-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE C#C[C@H](NC(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 1625078450 YYMYBZMCPKGPHV-VSGCLNPGSA-N 402.248 1.350 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)c1 1625108779 VCGOZIGPTAQMGT-IEBWSBKVSA-N 401.488 1.867 30 10 HDEE CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H](CO)c1ccccc1 1628297196 IQAZWGMNDOWFPC-RTBURBONSA-N 406.442 1.955 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cnn(-c2ccccc2)c1I 1628510408 BEDURWUUFMTICQ-LBPRGKRZSA-N 409.227 1.981 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NN3C(=O)NC4(CCCCC4)C3=O)n[nH]2)c1C 1629012192 PPBMSQFBJZGBDK-UHFFFAOYSA-N 411.466 1.976 30 10 HDEE N#Cc1cc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)c(Cl)c1 1632900345 FSFPFCUFMQZIOC-UHFFFAOYSA-N 414.274 1.735 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@](C)(CO)Cc2ccccc2OC)cc1 1634476750 SXKMIMNPOLOIGC-NRFANRHFSA-N 416.499 1.330 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1634594032 SLFWVMQONCYFMZ-WMZOPIPTSA-N 419.551 1.544 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc([C@@H]2CCCC(=O)N2)c1 1634988652 BZDCUNRODGTGRF-INIZCTEOSA-N 412.471 1.705 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](NC(=O)OC(C)(C)C)C[C@@H]2C)cc1 1635204181 GQALWUKHRQSAKS-GOEBONIOSA-N 421.519 1.726 30 10 HDEE C=CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1635334461 LNCJBTSTBHCIJU-UHFFFAOYSA-N 409.537 1.919 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCn2ccnc21 1636154930 KOZQQLMATFNEIM-CABCVRRESA-N 401.492 1.742 30 10 HDEE C=C(C)C[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OCC 1636837577 FSKSLJOLQQTJJE-HOCLYGCPSA-N 413.515 1.666 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCCc3ccc(Br)cc3)C2)c(=O)nc1O 1637514283 RUXWVCOQYIECOE-UHFFFAOYSA-N 417.263 1.989 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccc(C#N)cn3)CC1)CCO2 1638368487 VZZIPIPLCGDALX-BQIYRTECSA-N 413.478 1.286 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)NCc3ccc(SC)c(C#N)c3)CC2)CCOC1 1638397475 IUONOBPPJKXODT-HXUWFJFHSA-N 418.519 1.439 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(O)c1 1639175734 ZZPYEAVIYGOAEC-BUXKBTBVSA-N 421.475 1.750 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)C(C)(C)C3)ccc2c1=O 1639736997 BWRSKBJHAFXPEP-CYBMUJFWSA-N 421.544 1.957 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c1 1640145317 MTQOHLOYKYEADU-IBGZPJMESA-N 422.547 1.839 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(S(C)(=O)=O)c2)c1 1640739885 MSJZDMZTSXOPND-UHFFFAOYSA-N 405.497 1.817 30 10 HDEE C=CCONC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1640821212 KQFFNJUHKXZCTP-UHFFFAOYSA-N 410.233 1.389 30 10 HDEE C#CC1(F)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 1643706637 RTDMUTIBWGEIOC-UHFFFAOYSA-N 406.483 1.423 30 10 HDEE Cc1noc(C[C@H]2CCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1645711080 BUUFVQVAVSALIF-CZUORRHYSA-N 417.491 1.398 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1cccc2c1CCN2C(=O)C(F)(F)F 1645905963 NCUAREOFXUHAQK-MSUUIHNZSA-N 422.363 1.993 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc21 1648046242 QMNLZGSBBPYAEJ-GOEBONIOSA-N 402.476 1.196 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(OC)cc1 1652520632 ANMSYVNBMYMYFT-XOBRGWDASA-N 414.487 1.454 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(Cc2ccco2)c1C 1654478375 QJNNOIRKVCGKPX-FGZHOGPDSA-N 423.473 1.541 30 10 HDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccc(C)c(C)c1 1654668100 AEMOQVFTMUUBFL-CTNGQTDRSA-N 400.523 1.800 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(C(=O)NCCC(C)C)CC1 1654984698 RFOYOPCHDGAHLI-UHFFFAOYSA-N 407.555 1.664 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 1657819919 OWVYSYFORHWSAD-MRXNPFEDSA-N 409.508 1.766 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCC3(CCOCC3)CO2)c1 1665248250 FGMDLUASLFYPNV-QGZVFWFLSA-N 408.520 1.857 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)NCCc2ccccc2OCc2ccccc2)CCO1 1670778227 GTOLGKAGUMBEIM-LJQANCHMSA-N 401.488 1.867 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1673485071 KFHSOHOYZCDPNW-UHFFFAOYSA-N 403.487 1.672 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)nn1 1680990623 UMVXMHNHKRCKCM-MSOLQXFVSA-N 404.902 1.989 30 10 HDEE C=CC[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1683814993 RJHYSHTWOUIHPK-SJORKVTESA-N 409.556 1.879 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1684303679 CWLFDFGSYXYFLC-GFCCVEGCSA-N 419.425 1.158 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1689919414 NLFGIDVHPJEWKC-UHFFFAOYSA-N 422.942 1.925 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1690021306 PAZNZSXEWXCOSQ-KRWDZBQOSA-N 414.506 1.906 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1690074293 XJYLDHOXTHZVJQ-OAQYLSRUSA-N 405.462 1.532 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccn(C)n1 1690094290 YHTYTUMCFRTTOU-HXUWFJFHSA-N 402.499 1.187 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@@H](C)C2)CC1 1690122297 MVPWFGSPBQMLTO-BZSNNMDCSA-N 400.527 1.190 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690236386 MBSYHGSETBZLMJ-ZACQAIPSSA-N 411.572 1.901 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1690646326 PWAMSCDPUXBUKC-UHFFFAOYSA-N 404.478 1.270 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](SC)C1 1690674919 KETHGDWDPLOESF-OAHLLOKOSA-N 406.556 1.425 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1690751169 WOVUVKRJGFRCKA-KXBFYZLASA-N 409.556 1.516 30 10 HDEE CCc1nnc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(CCC#N)CCOC)s1 1694618029 BYVJVCYPCIUNMO-LBPRGKRZSA-N 404.500 1.058 30 10 HDEE CCN(CCCn1c(CC(C)C)nnc1N1CC[C@@](F)(C#N)C1)S(C)(=O)=O 1695740941 DWEXWBTZTFUPDP-QGZVFWFLSA-N 400.524 1.590 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1705493575 KYASFQANNWKNFJ-FUHWJXTLSA-N 408.506 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1705498588 BHUJTCSHRRJGDJ-QXAHSBQVSA-N 401.555 1.958 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705663016 SUQQUQNBAYAMCJ-LJQANCHMSA-N 407.547 1.807 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705890392 NTSBPNQZWONBKZ-CVEARBPZSA-N 410.540 1.388 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1705902746 MMBPKXHUODISEB-LJQANCHMSA-N 416.489 1.296 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)nnc1C(C)(C)C 1705908338 NXIJQPNZLMWKNV-HZPDHXFCSA-N 420.558 1.245 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCOC2)C1 1705925264 NCTHKIABADSMGX-YESZJQIVSA-N 410.540 1.388 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1705939861 OMLDSXICDXGKGS-INIZCTEOSA-N 408.572 1.688 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1722278666 RUHBUQUMKULLEK-SJORKVTESA-N 418.567 1.873 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722315250 KBXDJROYNYUJBX-QZTJIDSGSA-N 422.537 1.928 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C(=O)OC(C)(C)C)C1CC1 1722352169 FNVXPBRERSUPEX-HNNXBMFYSA-N 402.499 1.698 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1OC 1722380652 TYZUUXKDBUHKRK-YJBOKZPZSA-N 411.462 1.130 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccc(C)cc1 1722383329 NRTXLCUKMSOMOK-HXUWFJFHSA-N 405.502 1.983 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1722522966 PJVKWYKCRQFGCK-RYUDHWBXSA-N 400.405 1.310 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1722529459 TZJKNYCWXNQMAO-CRAIPNDOSA-N 415.560 1.486 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C 1722704129 OKMJHVACMDYVPI-UHFFFAOYSA-N 403.556 1.657 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722741854 YRSYQFAPJJSPEJ-INIZCTEOSA-N 407.565 1.806 30 10 HDEE C[C@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1723959731 AUCXDZYMEJVQAF-LIRRHRJNSA-N 416.507 1.212 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCC([C@H](C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1725766037 HWMNZXJBPJGTAW-MZNRPPOFSA-N 401.551 1.827 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1729617126 JSQAEBSYHNPQMB-QRWLVFNGSA-N 406.531 1.829 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C2CCC1(C)CC2 1729740919 DBBCNDXQJJANTQ-UHFFFAOYSA-N 400.508 1.887 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1740576219 SOQSYEMNVVQZNG-ROUUACIJSA-N 423.583 1.741 30 10 HDEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740581131 QERMGEDVEBWFFB-KRWDZBQOSA-N 400.527 1.476 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740590978 PKVPCIJQBRZLAB-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1740600254 JXUUGEKXEDCDHI-OAHLLOKOSA-N 405.524 1.543 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CCC(O)CC1 1740610184 UEDQQOKHJOPCIJ-HXUWFJFHSA-N 409.534 1.856 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740616338 ZAAZVAYNFBIOKI-ZWKOTPCHSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CC(=O)N(CCOC)C1 1740655795 JPUFIGCVOHUJOQ-RBUKOAKNSA-N 413.522 1.478 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@](C)(O)c2cccs2)CC1 1740688470 GBPWSDZUSZELSJ-FQEVSTJZSA-N 416.551 1.141 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1740795304 RTQREEMLJPUDJW-QGZVFWFLSA-N 422.555 1.626 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCNS(C)(=O)=O 1740892488 HYTYHDVHCKBYPH-UHFFFAOYSA-N 417.333 1.218 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1740961095 LRQJXTLPFSBQPL-UHFFFAOYSA-N 420.455 1.801 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)[C@@H](C)C1 1741044684 NIMLYUCDLLZSEL-KSFYIVLOSA-N 424.505 1.679 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)CCO1 1741103688 DHFAINIDUIOJNG-KNQAVFIVSA-N 424.505 1.319 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCCCCO)CC2)c1C#N 1742668795 DUUSDRMOBBIHOF-UHFFFAOYSA-N 400.531 1.804 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1747603215 GSXZRGXIGKPVAU-SFHVURJKSA-N 417.470 1.150 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2Br)n1C[C@]1(O)CCN(C)C1 1748780375 VIRMUHCDUHBEPZ-SFHVURJKSA-N 404.312 1.844 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1748818869 HJFFIUVQPJKPCP-GOSISDBHSA-N 417.535 1.053 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1748905480 FLEAHZBWPPGZQG-FQEVSTJZSA-N 417.897 1.472 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)CCCO2)CC1 1749001555 WJDDUXZRODAILL-WFXMLNOXSA-N 403.527 1.326 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCO[C@H]2CCOC2)CC1 1749005410 WAEODPUQJARVMI-SFHVURJKSA-N 403.527 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)[C@@H](C)CC)CC1 1749014742 MUTXWDYRVGVVGW-PKOBYXMFSA-N 416.570 1.478 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(C#N)C1 1749235342 COZPSDAQUGEBAM-CSODHUTKSA-N 416.526 1.582 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C[C@@H](C)O1 1749554233 CCFABDUKRAEWFA-DNVCBOLYSA-N 424.505 1.583 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2C1 1749669482 LJUULWRMBKINPQ-MRXNPFEDSA-N 401.492 1.003 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749680323 IZVKTEXDQYBVNL-HXUWFJFHSA-N 416.457 1.000 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](COC)C1 1749680826 SERLGMVFQUTNIF-OAHLLOKOSA-N 403.458 1.771 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@H](C)C2)cc1 1749684135 RBJQSHXWAJAPNA-CRAIPNDOSA-N 424.505 1.509 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1760143588 LDFOMXJCWDOXKB-UTKZUKDTSA-N 416.526 1.336 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1occc1C 1760224730 XFMOICYDLVHBOH-UHFFFAOYSA-N 400.483 1.597 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCCc2ccccc2)CC1 1760252958 ZBJPPBXALOEPSN-UHFFFAOYSA-N 408.550 1.690 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](OC)C2CC2)CC1 1760263972 WSORAXDUCGWWRV-OTWHNJEPSA-N 403.527 1.182 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760323417 CYGPTQKTSYYYSG-NHAYFPRASA-N 403.527 1.589 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CC(=O)N(CCOC)C1 1760460063 PPHQHJWTUDKHDD-OAHLLOKOSA-N 413.478 1.791 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@H]1COCCO1 1760461548 YJFDIDXNIARVNH-HNNXBMFYSA-N 410.478 1.620 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(F)cc1 1760521845 FRESZXAVMQIHNT-HNNXBMFYSA-N 421.498 1.258 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCOC)C1 1760537511 OYTTXHNSRYBYTJ-SFHVURJKSA-N 410.482 1.739 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1763522563 XTQTWLOXWDBCMZ-RJCBAWPRSA-N 423.477 1.482 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1766870751 GQGUKJRHPXKXPL-QGZVFWFLSA-N 407.478 1.106 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC(=O)NC(C)C)cc1 1768744305 BFQBZOKTKOHINV-QGZVFWFLSA-N 414.466 1.119 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CC#N 1770085842 FEDGOFHDBNEEBG-WBVHZDCISA-N 400.483 1.989 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1770662492 IMQHEHNUBYNUPG-ZDUSSCGKSA-N 415.479 1.256 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1F)[C@@H]1CCN(C)C1=O 1849198130 QLPILZRPMQOSBR-CVEARBPZSA-N 409.483 1.224 30 10 HDEE O=C(C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)NCC#CCN1CCCCC1 1849996651 MFLBRBIXFCZFOF-MRXNPFEDSA-N 400.548 1.765 30 10 HDEE CC(C)(C)[C@@H](C(=O)Nc1c(C#N)cnn1CC(F)(F)F)N1CCS(=O)(=O)CC1 1851772235 KLBPYAWGEFPNDO-GFCCVEGCSA-N 421.445 1.401 30 10 HDEE C=CCC(=O)O[C@H]1C[C@H](C(=O)OC)N(S(=O)(=O)c2ccc(OC)c(OC)c2)C1 1852332174 FOXUCOBPCZQOKW-GXTWGEPZSA-N 413.448 1.128 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2nccc3ncccc23)C1=O)[C@@H]1CCN(C)C1=O 1853804314 GZVQUFDQTKRCHU-ZWKOTPCHSA-N 407.474 1.480 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(F)c(OC)c2)C1=O 1854160978 PKHRBFQNBNHQKI-ZWKOTPCHSA-N 417.481 1.613 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C(=O)C1 1854599914 VTMHDZTXFPRHPL-QGZVFWFLSA-N 405.520 1.334 30 10 HDEE COc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1C 1855111109 CDXGSEYQWXJHJR-KRWDZBQOSA-N 416.455 1.966 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1C#N 1855408023 JHXKJRJBMHVUSQ-IBGZPJMESA-N 407.449 1.964 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nc(-c2cccnc2)no1 1855910417 GGHDKBNAXRJXJG-CQSZACIVSA-N 402.414 1.876 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(CCC#N)C(C)(C)C1=O 1855927958 BWRCJKWGYUXSPW-UHFFFAOYSA-N 409.446 1.218 30 10 HDEE COc1ccc(S(=O)(=O)CCCC(=O)N2CCN(CCC#N)[C@@H](C)C2=O)cc1 1856192592 AMHQXEZYXHVNIV-HNNXBMFYSA-N 407.492 1.222 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(Cc4ccccn4)CC3)CC2=O)c1 1856739055 TYHWGMWQJLVGMO-IBGZPJMESA-N 403.486 1.760 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CC(c4nc(C5CC5)no4)C3)C2=O)cc1 1856786378 ZKXGKVFCEIKYCM-SFHVURJKSA-N 405.458 1.978 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3ncoc3C3CCC3)C2=O)C1 1857120637 ZUKONYLXYVASFG-MRXNPFEDSA-N 407.430 1.713 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nccc3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857263456 GRJBWZCPVDFXMT-QFBILLFUSA-N 406.486 1.942 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cccnc2OCC)C1)[C@@H]1CCN(C)C1=O 1857264489 NWBOGRVOMYRYOF-NVXWUHKLSA-N 400.479 1.188 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2=O)CC1 1857295685 UIIJFDNSHUDDRR-WMZOPIPTSA-N 415.515 1.106 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1CC(=O)N(C)C1 1857486633 IVMTXZKEMPDKQL-HNNXBMFYSA-N 419.503 1.167 30 10 HDEE N#Cc1ccccc1NC(=O)CC[C@@]1(c2ccc3c(c2)CC(=O)N3)NC(=O)NC1=O 1858172533 CXBVVHYPTWPXNU-NRFANRHFSA-N 403.398 1.506 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1OC 1858322479 SQXWPVLZTMQOFB-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCCN(c2nc(O)c3c(n2)CCCC3)CC1 1858578045 OMDJJVUFPANBPZ-UHFFFAOYSA-N 413.503 1.834 30 10 HDEE C[C@H](O)CN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 1862595995 KOXIAZBEIQZTQN-DYZYQPBXSA-N 414.370 1.965 30 10 HDEE C=CCOc1cn(Cc2ccccc2F)c(CN2CCN(CCO)CC2)cc1=O 1870387520 HPDQQLGEKWYBEB-UHFFFAOYSA-N 401.482 1.710 30 10 HDEE C#CCOc1cn(CCO)c(CN2CCN(c3ccccc3Cl)CC2)cc1=O 1870561312 IEUCLYGANVBNBQ-UHFFFAOYSA-N 401.894 1.828 30 10 HDEE CC(C)(C)OC(=O)N1CC(NCc2occc2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 1995961355 VUZDGPNRDAHUAG-UHFFFAOYSA-N 422.287 1.743 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 2054408996 XSUZLHNZIXYFMR-QZTJIDSGSA-N 409.508 1.739 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)c3ncc(Br)cn3)nc2)OC1(C)C 2102365717 GHNMIPAESHYEBH-UHFFFAOYSA-N 406.049 1.581 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C#N)nc2)CC1 2118161977 GFZOUCXAAIBWKZ-UHFFFAOYSA-N 400.482 1.361 30 10 HDEE CN(CCN(CC(F)(F)F)S(=O)(=O)N1CC(C#N)C1)C(=O)OC(C)(C)C 2118169474 XGHVISPYHHOWDC-UHFFFAOYSA-N 400.423 1.418 30 10 HDEE CC1(C)OB(c2ccccc2Cn2c(O)nnc(Br)c2=O)OC1(C)C 2118564447 HHUUQAZVOOMFEN-UHFFFAOYSA-N 408.061 1.454 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)OC(C)(C)C1 2174787766 XVIINTYOPNFJKE-KGLIPLIRSA-N 402.517 1.081 30 10 HDEE Ic1cn(CCN=C2N[C@@H](C[C@H]3CCOC3)CS2)cn1 2237131478 ZAZGQMBFSAOHNA-MNOVXSKESA-N 406.293 1.975 30 10 HDEE Cn1ncc(C(=O)NCCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2243369450 CPUYNRJFEVYJBF-UHFFFAOYSA-N 408.308 1.364 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674501 KGCFLPTWPDPVSK-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243685030 LZAFMONQFXFPSZ-LSDHHAIUSA-N 408.304 1.355 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815411 ZYMGSKGRZGUNIC-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247918149 NDHUSJCALZDWDV-OLZOCXBDSA-N 420.319 1.837 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1csnn1 2267374114 MROWQUNTBAUSBD-SECBINFHSA-N 401.344 1.938 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C2OCCO2)cc1B1OC(C)(C)C(C)(C)O1 2281833446 BFLJMRXMRBGSDO-MRXNPFEDSA-N 403.284 1.972 30 10 HDEE Cn1nc(C(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cc1B1OC(C)(C)C(C)(C)O1 2281973786 UVNKSRLYSFKIQY-CQSZACIVSA-N 405.304 1.335 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282123915 BHXUAVDTROVMFA-UHFFFAOYSA-N 401.359 1.910 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@H]3CO)cc2Cl)OC1(C)C 2282310261 RHEKSKIAAOPYGF-SNVBAGLBSA-N 423.749 1.083 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCCNC[C@@H]1C 2282313374 KKWJTTDSKYQKLU-LBPRGKRZSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282318892 MFJIOKHOGPFSRX-LLVKDONJSA-N 423.387 1.067 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H](N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282320860 OFWJCLIFAMEUEH-ZDUSSCGKSA-N 400.375 1.858 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282321479 XOMDFDBTQOILQB-CYBMUJFWSA-N 400.375 1.586 30 10 HDEE C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282334283 ZKQHBKZGYOHQGW-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CCC[C@]1(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282335399 OZQHUIHYUYBRFY-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338283 QEBWIBZIUARFDN-LLVKDONJSA-N 402.347 1.192 30 10 HDEE CN([C@@H]1COCC1(F)F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491990 NALZFIRWVRGLAG-GFCCVEGCSA-N 409.285 1.702 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282664488 DFCXZVNTGCDFII-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCc3cn[nH]c3)cc2Cl)OC1(C)C 2282830463 UUZJLMFTVXLJGG-UHFFFAOYSA-N 417.749 1.945 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850009 JXVFMCIRXOZJPP-NSHDSACASA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(CN)CCCC2)OC1(C)C 2282850046 KKQFNPJPYDZIBU-UHFFFAOYSA-N 400.375 1.845 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCSC[C@H]3CCO)c2)OC1(C)C 2282851032 WMJIZZAQDQJFDT-CYBMUJFWSA-N 419.399 1.536 30 10 HDEE C[C@H]1OCC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866289 GWXNNZFAXIBUMJ-OCCSQVGLSA-N 401.359 1.986 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282866387 IKCBDSPANAZZJI-UHFFFAOYSA-N 400.737 1.823 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCCC3(O)CC3)ccc2Cl)OC1(C)C 2282876459 DKJCJUZIYAZTBH-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCC[C@H](O)C2)OC1(C)C 2282876713 HTILBWWKJNTMOK-STQMWFEESA-N 401.359 1.877 30 10 HDEE C[C@H]1COC[C@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880589 KXDXPFHSSNMLCP-STQMWFEESA-N 401.359 1.986 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282881693 AWTDRSURSTWAQZ-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s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c3ccccc3)C2)C1=O 2371194078 RIYPNXIJKUKAOP-NRFANRHFSA-N 413.430 1.530 30 10 HDEE CN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(C#N)cc1 25393265 RAAXPADYIWWLCB-UHFFFAOYSA-N 409.471 1.681 30 10 HDEE N#CCc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 42219096 VNDRTHGIFFQWNR-UHFFFAOYSA-N 414.443 1.808 30 10 HDEE C/C(CC(C)C)=N\Nc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1 59892127 QMQWCOLDCAIKLZ-DJKKODMXSA-N 405.488 1.074 30 10 HDEE O=C(O)CCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1CCc1ccc(F)cc1 254443152 SXFLGAJDTFDFCV-ZIAGYGMSSA-N 414.480 1.330 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 301406528 MDUKQECYDSFBCW-UHFFFAOYSA-N 422.869 1.961 30 10 HDEE Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 304115242 ZKWPWTHCDCNPSX-CYBMUJFWSA-N 403.508 1.590 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)cc1 427770477 ZMSZJEPQTHYVBT-UHFFFAOYSA-N 424.504 1.701 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1S(=O)(=O)NCC#N 435996703 QORQGMQYPNLAMX-GUXCAODWSA-N 421.519 1.596 30 10 HDEE COc1cc(CNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)ccc1C#N 460569497 AVIHSQLSWDZZSN-NRFANRHFSA-N 418.453 1.659 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)C2)cn1 466034110 AHEQDYNMPLAKOJ-WOJBJXKFSA-N 407.522 1.808 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474839712 LJSLATTXDYGQCQ-HUUCEWRRSA-N 416.478 1.567 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCc2c(C)nn(C)c2C)c(C#N)cn1CCOC 481365347 DAXFYFYVIDECBP-UHFFFAOYSA-N 416.482 1.897 30 10 HDEE CS[C@@H]1CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1N1CCCC1 484611456 BIRZGKQRXIJMPD-QZTJIDSGSA-N 418.567 1.015 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cscn2)c1=O 497561212 BLPYNFBELDWRFF-UHFFFAOYSA-N 422.535 1.789 30 10 HDEE Cc1c(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)nnn1-c1ccn(C)n1 498220349 AUAXLNKUHUHUGI-UHFFFAOYSA-N 404.478 1.597 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cn(-c3ccccc3)nc2C(=O)OCC)CC1 506310587 SGNSXEQBCSDMLU-UHFFFAOYSA-N 411.506 1.469 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 508922396 QETFJIMUAHBFOS-SFHVURJKSA-N 415.469 1.582 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 509002165 QIFYDELCBPXDED-CHWSQXEVSA-N 412.541 1.417 30 10 HDEE COC[C@H](C)NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccccc1 514492473 CVMDNEODZWKXAU-INIZCTEOSA-N 419.506 1.553 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCCO1 514835288 DJQIGPBTGRQYML-MRXNPFEDSA-N 413.474 1.033 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)CC1 517515460 QBYHQQRIOPGQMY-FQEVSTJZSA-N 423.517 1.066 30 10 HDEE COC[C@@](C)(CNC(=O)Cc1cccc(C#N)c1)NC(=O)Cc1cccc(C#N)c1 531385473 CGJSPERCQQHRPO-HSZRJFAPSA-N 404.470 1.853 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 541873560 VPMVHXYCAPFYDC-VQTJNVASSA-N 400.435 1.941 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)c2c(F)cccc2F)c1 547933735 XGRCDTOYRBLDFQ-INIZCTEOSA-N 410.398 1.985 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 549281908 AVUIZWGVEMTVRJ-JKSUJKDBSA-N 409.556 1.641 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561181536 ASDNHIGFQPIEPH-MRXNPFEDSA-N 402.470 1.667 30 10 HDEE COc1cc(C[C@@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)C(=O)O)cc(OC)c1 579545770 RNOYWWYQTDXRFC-QGZVFWFLSA-N 405.432 1.253 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2nnnn2-c2ccccc2)CC1 609345685 HXBWXPXNBGSIJB-QGZVFWFLSA-N 417.473 1.646 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCOC[C@H]1c1noc(C)n1 611533440 AVEVUMCQZODTEM-KRWDZBQOSA-N 416.482 1.717 30 10 HDEE CN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 725713716 UJZTYAGYYFYYGG-UHFFFAOYSA-N 402.270 1.066 30 10 HDEE C#CCN(C(=O)Cc1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCS(=O)(=O)C1 729334730 BTEHYRYZADROQM-HNNXBMFYSA-N 418.496 1.730 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1 746403004 KVGXTKYIGUNWEL-AWEZNQCLSA-N 406.323 1.401 30 10 HDEE N#C[C@H]1CN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CCN1C1CC1 752688467 HYZUQIGSYMCXIG-LBPRGKRZSA-N 417.944 1.062 30 10 HDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765146187 TWTPXODMXBXXRV-UHFFFAOYSA-N 418.434 1.681 30 10 HDEE COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CC(=O)N(CC#N)c2ccccc2)C1=O 771156477 BEQISOYMVCZDHD-QFIPXVFZSA-N 404.426 1.945 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1cc(F)ccc1Br 771945982 FZJAFUVDMVSNOO-BUHFOSPRSA-N 418.244 1.393 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cnc(Br)cn2)cc1 773502916 DSBOTWAZRHQBNI-UHFFFAOYSA-N 409.265 1.342 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cnc(Br)cn2)cc1 773505313 WLQFZTZOQBXMQW-UHFFFAOYSA-N 424.280 1.361 30 10 HDEE C#CCN(C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1)[C@H]1CCS(=O)(=O)C1 774053829 ROLVJAVLTHZVQS-INIZCTEOSA-N 402.476 1.042 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774167420 YFXSMWAOCQGELG-CQSZACIVSA-N 404.410 1.960 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)c2ccc(F)c(Br)c2)CC1 774592252 PLLFHTRKSWOZDJ-MRXNPFEDSA-N 400.292 1.541 30 10 HDEE N#C[C@H]1CN(Cn2c(=O)oc3cc(I)ccc32)CCN1C1CC1 777955542 OGUBNKCICAJOCL-ZDUSSCGKSA-N 424.242 1.829 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 780907018 IJDIJZBOKCRHKQ-SFHVURJKSA-N 424.480 1.570 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2Cl)c(=O)n1C[C@H]1CCCO1 783943197 QPIGQOQGKZOFST-CQSZACIVSA-N 416.846 1.677 30 10 HDEE CCCc1c(NC(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)cnn1-c1cccc(C#N)c1 784714245 MJDTXBKVEZXPMM-MDZDMXLPSA-N 418.457 1.746 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)n1 788555732 FFDRWGVCWASCII-UHFFFAOYSA-N 419.507 1.413 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S(=O)(=O)C(C)C)n1 790105818 CIGVRWVLXZLUHC-UHFFFAOYSA-N 403.504 1.987 30 10 HDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C#N)n(-c2ccc(C(N)=O)cc2)c1=O 794615797 CQMHYEKUCVFOHR-UHFFFAOYSA-N 418.453 1.726 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CCOC)C(=O)OCC)ccc2c1=O 799071538 MMMGSDKMHQLPKR-AWEZNQCLSA-N 405.476 1.569 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@@H]2COCCN2C(=O)OC(C)(C)C)n1 803231482 QLCHBWQZRBAZRR-GOSISDBHSA-N 420.510 1.517 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)c1 803846562 XKRUOXVRXRCJDB-UHFFFAOYSA-N 407.365 1.741 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)NC[C@@H]2CCCCN2S(C)(=O)=O)c1 805114095 QCLTUOCTNCLANJ-DLBZAZTESA-N 408.524 1.981 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nccc(C(F)F)n2)ccc1F 805320461 AZEMVRPGHBVPBK-UHFFFAOYSA-N 400.382 1.948 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(F)F)cc2)N(Cc2cnn(C)n2)C1=O 807931391 DPQISQBYFDOEPR-ZDUSSCGKSA-N 424.433 1.684 30 10 HDEE C#CCN(c1nnc(-c2cnn(-c3ccccc3)c2)n1CC)[C@@H]1CCS(=O)(=O)C1 812031145 OCPDNNNPPPGLOF-GOSISDBHSA-N 410.503 1.777 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)CC1 915143127 REMVOBDAZQFXHA-UHFFFAOYSA-N 418.501 1.789 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]21 916178192 OKBKJYMTTCGJQV-HLLBOEOZSA-N 422.532 1.230 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2=O)cc1 1132075549 RFEFCBJLZTVMAB-TZIWHRDSSA-N 419.485 1.323 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1134505344 LPQUWKMSESVTRL-CABCVRRESA-N 417.491 1.890 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1136678437 XQOZSISDCBCZHW-KXKDPZRNSA-N 401.482 2.000 30 10 HDEE CCCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@H]1CC(=O)N(C)C1=O 1138874470 FIOGAOLUJQRQRU-KRWDZBQOSA-N 414.311 1.904 30 10 HDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(O)C1=O 1141380029 DJVAFBHPZIJNCE-JLTOFOAXSA-N 405.451 1.468 30 10 HDEE C#C[C@@H](NC(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C1CCOCC1 1148193478 BHZFINLXDGRKLE-WZONZLPQSA-N 409.486 1.920 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)OC)C2)c1 1150496834 NZNDMGSACYRLGZ-IBGZPJMESA-N 412.467 1.511 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN(C)CCS(C)(=O)=O 1153926877 LRIFFVZEIBRVDL-CYBMUJFWSA-N 411.952 1.115 30 10 HDEE COc1ccc(CN(CC2CCC2)C(=O)Cn2cc(C#N)c(O)nc2=O)c(OC)c1 1155301595 HKFXJDYNTSIHKN-UHFFFAOYSA-N 412.446 1.667 30 10 HDEE C[C@H](CC(=O)NC[C@@H](O)Cc1cccc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1159737672 FYXBZOUEBJADLX-CJNGLKHVSA-N 419.478 1.363 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)cc1 1162475472 XRADCYJCNNWOTR-NSHDSACASA-N 407.473 1.332 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)NC3(c4cccc(C#N)c4)CCOCC3)cc2=O)n1 1167196998 NXYRFIYKYLUAFS-UHFFFAOYSA-N 418.457 1.880 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CSC1 1171876028 QKPCWVJGSSKFCZ-UHFFFAOYSA-N 421.588 1.187 30 10 HDEE Cc1c(C(=O)NCc2cncc(C#N)c2)cc(Br)cc1S(N)(=O)=O 1178373017 AXDNYZZWJAFIFL-UHFFFAOYSA-N 409.265 1.602 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccnn1[C@@H]1CCOC1 1179342730 YPIZHLODUZXCLA-CYBMUJFWSA-N 403.464 1.302 30 10 HDEE C#CCNC(=O)CN1CCN(CCCCOc2ccc(Br)cc2)CC1 1194648286 IOMQOMXJYOMBMQ-UHFFFAOYSA-N 408.340 1.975 30 10 HDEE C=CCOc1c(Cl)cc(CN2CCOC[C@H]2CNS(C)(=O)=O)cc1OC 1207049069 HJPOCKNACAISMN-CQSZACIVSA-N 404.916 1.663 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN1Cc1ccccc1 1251671259 DTICRAXAFJYUGH-KDOFPFPSSA-N 408.462 1.050 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)C1 1254630372 MVFFVFRWEKUEGY-PMACEKPBSA-N 400.523 1.870 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 1255459198 CMCNBRVBZQZFCV-WIHSUSGWSA-N 406.508 1.719 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1286321016 KGZGFNNLCDFXOH-LJQANCHMSA-N 408.554 1.755 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCCC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286389738 PQELIAAKAVQLLT-GOSISDBHSA-N 419.595 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[S@](=O)C(C)(C)C)CC1 1286491395 QAYGBXZINIOTOE-LJAQVGFWSA-N 421.611 1.990 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(F)cn2)CC1 1286651493 GCAPOMWOCHADAX-ZDUSSCGKSA-N 408.503 1.873 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286710118 NESQJEJRNQXGNH-MRXNPFEDSA-N 402.499 1.611 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1286779321 ILBSNZGAKFTLHP-HUUCEWRRSA-N 414.441 1.588 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1286789895 IPBWVWSZXHSZGG-KRWDZBQOSA-N 405.462 1.312 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1286818000 AOUQZUHOEOGROY-FKEKPDDDSA-N 405.524 1.471 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1288517765 FXZANOLETBASKZ-HLLBOEOZSA-N 412.498 1.368 30 10 HDEE Cc1cc(C)c(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c(C)c1 1289436023 CVBPZODDBXAHEO-LLGFUMIMSA-N 415.515 1.362 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1290826271 NMVBZQHSSDCYHV-UHFFFAOYSA-N 418.450 1.690 30 10 HDEE C#CCN(CC(=O)NCCS(=O)(=O)NCc1ccccc1)C(=O)OC(C)(C)C 1290994415 GCVHAZQKHRBWAY-UHFFFAOYSA-N 409.508 1.093 30 10 HDEE C=C(CN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCC(C)C 1295370710 DWYBVUGBTXDVJN-UHFFFAOYSA-N 424.567 1.832 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2cccc(F)n2)CC1 1298256026 NNJPBTNWMYRZNP-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(O)C1=O 1298541907 OFRLECSJYLUCFD-DLBZAZTESA-N 420.510 1.508 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](Cc1ccccc1)OC 1300270815 FKWZTFFCJXZKPO-JZXOWHBKSA-N 419.551 1.604 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCO[C@H]1C 1300650111 YOWRLISLIUKUAE-AOMKIAJQSA-N 424.480 1.997 30 10 HDEE C[C@@]1(c2cccc(C(=O)N3CCN(c4ccsc4C#N)CC3)c2)NC(=O)NC1=O 1300769029 VRTBXQAZTXPZAB-FQEVSTJZSA-N 409.471 1.637 30 10 HDEE C=CCCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1301186043 QLVHWCHTFGZHQB-CQSZACIVSA-N 421.523 1.985 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2CN(Cc3ccccc3)CC23CCC3)c(=O)nc1O 1301213273 MFJWOZYHSGLHJV-SFHVURJKSA-N 407.474 1.239 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)[C@H]1C[C@@H](OCC)C1(C)C 1301491342 QBCYSAYQORSHHI-JKSUJKDBSA-N 401.515 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C)(C)CC1 1301568904 YXUDQXRWLLSMLH-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCNc2ccccn2)CCO1 1303003927 LGRLDSZPOHIMIM-GOSISDBHSA-N 404.478 1.890 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(CNC(=O)C(F)(F)F)o3)CC2)cn1 1303334442 FWYGPQOVJWSBSB-UHFFFAOYSA-N 407.352 1.687 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1303556810 MLXJSYAZJTXPLG-LJQANCHMSA-N 414.531 1.173 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1cncc(C#N)c1 1303862614 ZTRSTOSCPREDIQ-YOEHRIQHSA-N 401.511 1.795 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](N3CCOCC3)C2(C)C)c1 1309613587 PHAMWHVKHVHGKP-ROUUACIJSA-N 407.536 1.380 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCCC)cc1 1309774040 NRVOFBWBAYHMGS-UHFFFAOYSA-N 402.563 1.968 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)cc1 1310132048 YPEPARJGYHSGFP-OALUTQOASA-N 422.551 1.556 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CC[S@](=O)C[C@H]2c2cnn(CC)c2)cc1 1312736740 RMNATFZMMRZUQI-VKGTZQKMSA-N 400.504 1.930 30 10 HDEE CCCNC(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1313482971 CIIJLUNZLIIZBV-KRWDZBQOSA-N 400.458 1.653 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1313968398 ZVERKZJOFPVCNC-CQSZACIVSA-N 417.901 1.885 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3C)n2Cc2ccc(C#N)o2)CCO1 1315008921 QBCBNYMILPHTLH-GOSISDBHSA-N 406.446 1.718 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1320593427 LDTCENHCBNDJPA-HUUCEWRRSA-N 401.529 1.321 30 10 HDEE C[C@H]1CCCN(C(=O)C2CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1321741805 AHVYVEGSTJPCSY-IJYGLTAASA-N 417.510 1.193 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3cccc(N4CCOCC4)n3)CC2=O)cc1 1324151498 ZLTBJGCTYKBBQE-KRWDZBQOSA-N 405.458 1.459 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)cc1 1351252271 RXIDNYQBFWMDJT-UHFFFAOYSA-N 417.491 1.261 30 10 HDEE CCN1CCOC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1355382085 FAYMXXRRUWKASH-LOFJQREMSA-N 422.551 1.939 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1358903542 AUNQSJVMXSKTTM-XGHQBKJUSA-N 403.527 1.993 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1358923679 WWQXTIMZRFQEBT-LJQANCHMSA-N 407.499 1.857 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1Cl 1358938983 NKKNSSZNRPHXEW-CYBMUJFWSA-N 411.915 1.690 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](c1ccco1)N(C)C 1358968225 CQSPBMDQBIYKTM-QGZVFWFLSA-N 417.473 1.894 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1C 1358971650 DFRRWYRJPSTYQC-UHFFFAOYSA-N 422.514 1.512 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2([S@@](C)=O)CCC2)CC1 1359034914 GKPULBPDSRZJHH-JYRCXFKTSA-N 405.568 1.576 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1359055651 KYCLDAIKZIIIRG-INIZCTEOSA-N 413.551 1.713 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(S(C)(=O)=O)CCCC1 1359240230 JJZXTDBVJBLFRQ-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1359297178 ICAKUCPSAQEZIV-JTSKRJEESA-N 411.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1359301640 FLZZZKPBMOXEEY-RBUKOAKNSA-N 422.533 1.727 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1359304945 ONHWZJJPNQTAPQ-AWEZNQCLSA-N 406.512 1.460 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)N1CCOCC1 1360482513 FQVJPXYJRFVSNY-LZLYRXPVSA-N 418.542 1.794 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)cc1 1436120846 SPPVYAZCMGXTQF-LJQANCHMSA-N 410.536 1.693 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)NCc2ccc(OCC#N)cc2)C1 1443099908 OQSWOIVUWUMDCD-UHFFFAOYSA-N 412.450 1.902 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@]3(CCS(=O)(=O)C3)C2)c1 1449693157 IWNCNNOOOZDMNJ-KRWDZBQOSA-N 414.480 1.164 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](Cn2cc(CN3CCOCC3)cc(C#N)c2=O)C1 1459087078 MAVXDKMDBRGMQW-GOSISDBHSA-N 418.494 1.188 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1461944049 HNPWQKATWOOLED-INIZCTEOSA-N 424.519 1.259 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3Cc4ccc(C#N)cc4C3)C2=O)cc1 1462357655 RFKWHCYNHVQACR-CVDCTZTESA-N 402.454 1.917 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)c2nc(O)c(C#N)cc2C)C1=O 1465726368 RGWKCUUZFZLDKQ-LBPRGKRZSA-N 400.416 1.351 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 1466064511 NTDDUKPSDJOMLG-BRWVUGGUSA-N 406.494 1.846 30 10 HDEE C=CC[C@@H](NC(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1466783737 WOEQXKOYYASPHZ-HUUCEWRRSA-N 411.499 1.516 30 10 HDEE C[C@H]1CS(=O)(=O)CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1466907567 DJNXJUXUIZLDGP-RQMAVPSVSA-N 411.524 1.419 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cnc(I)c(O)c2)CC1 1467993198 ZNFDZSYFYXJWAE-UHFFFAOYSA-N 415.187 1.311 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccc2cc[nH]c2c1)C(=O)N[C@H]1CCN(O)C1=O 1468372412 GIYVCYFWDFUCBE-GOEBONIOSA-N 402.451 1.710 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1)C(=O)OC 1468873215 OEZVQAHNFBVFES-RKVPGOIHSA-N 406.504 1.648 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 1470733830 AYSOBBHGNFBFEO-OAHLLOKOSA-N 402.310 1.909 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 1470863374 BROKFLINNLKSKD-LEWJYISDSA-N 410.518 1.548 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1471821804 BTLYLLCSLIBSTP-UHFFFAOYSA-N 406.504 1.439 30 10 HDEE N#Cc1cnccc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 1473056770 DXZRXNOANFUSDH-UHFFFAOYSA-N 418.500 1.705 30 10 HDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1504789793 QKGYVSHNLQKVOG-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1507569884 KJBZHQXTYYDNOO-SPEDKVCISA-N 415.538 1.977 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)CC)C1 1507570821 VXXMBSMBWZLXLI-QGZVFWFLSA-N 400.527 1.699 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1507605289 SAUCKLHMKPFNCT-GHTZIAJQSA-N 405.543 1.501 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC[C@H](C(F)F)N1CCOCC1 1507650896 WSOSSGRUAHZEJL-MSOLQXFVSA-N 421.492 1.949 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1Cc1nnc2n1CCC2 1507659356 RZDMMQOBOHHZBG-VQIMIIECSA-N 407.522 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CCn1cncn1 1507710525 QCTIQJFEXXRVEI-UHFFFAOYSA-N 418.461 1.978 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1csc(CC)n1 1507713168 ZPDKCHBHNZENGK-HNNXBMFYSA-N 402.524 1.577 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CCOCCCO)CC1 1507734437 NDFJOCNWXIJKII-UHFFFAOYSA-N 415.494 1.211 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507832155 PPROUKQSKJYPKM-JLTOFOAXSA-N 402.499 1.563 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CC[C@H](C(N)=O)C1 1508080456 OXEHZXWYLPTPBL-AWEZNQCLSA-N 407.478 1.051 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](OCC)C1 1508087187 OEDPOIRQPXTZMX-CQSZACIVSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H]1[C@H]1CCCO1 1508092006 ONJSXHFXKXVLII-ZWKOTPCHSA-N 413.526 1.590 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1ccco1 1508130994 XWJAKKWTGBCABX-OAHLLOKOSA-N 421.523 1.905 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1508167521 MSVPVYKATFWQLB-DLBZAZTESA-N 404.584 1.993 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1508235318 DJFQUQNCFLAZKU-UHFFFAOYSA-N 407.478 1.011 30 10 HDEE C=CCNC(=O)[C@H](C)NCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)c(F)c1 1508241650 SOSCNOKEHZWIIQ-ICQHIFQISA-N 401.482 1.646 30 10 HDEE CC(=O)NCCCn1c(N2CCN(c3cc(C#N)ccn3)CC2)nnc1C(C)(C)C 1508405482 AYOZKKKZJUWTMC-UHFFFAOYSA-N 410.526 1.695 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(C)CN(C2CC2)C1=O 1509660948 QDOGJTGKSLVSGE-RTWAWAEBSA-N 413.526 1.557 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1511976843 KZXAMMLSTJSFNJ-VQIMIIECSA-N 422.489 1.741 30 10 HDEE CCOC(=O)c1cc(NC(=O)c2cnn(CCC#N)c2C)cc(S(C)(=O)=O)c1 1515783201 IFQKVXXWXLJUNL-UHFFFAOYSA-N 404.448 1.938 30 10 HDEE CS(=O)(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCOC2)C1 1519521775 GFUAMRGLYBZEEH-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N[C@H](C#N)c2ccc(Cl)cc2)[C@H]1c1nccn1C 1521589824 GSNAIDGCOMGZSV-PVAVHDDUSA-N 401.854 1.743 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)C2(C#N)CCSCC2)ccc1OC 1524880464 XZFOACGPDPUZTH-UHFFFAOYSA-N 413.521 1.595 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCN1C1CCCCCC1 1535612889 UPXXVVPAYGLILS-MRXNPFEDSA-N 404.536 1.638 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1538976357 KRPVNYWGSOUFHQ-IERDGZPVSA-N 413.526 1.754 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1539221707 RFALCPXXJSLRJG-ZWKOTPCHSA-N 405.568 1.657 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)c1ccccc1 1539343136 FVOKRKLRLHWBMI-DLBZAZTESA-N 418.567 1.873 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(N(C)C)CCSC1 1539383705 IOCMFYUCONJABM-ZWOKBUDYSA-N 407.584 1.899 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@H]2CCOC2)CC1 1539432203 ZNERRHCBRHCIRI-SIKLNZKXSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)CC2CC2)CC1 1539441520 RRMCQFOGUYCGPA-UHFFFAOYSA-N 413.547 1.525 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)OC1CCCC1 1539496879 IVGQOQOZGMKCDH-ZDUSSCGKSA-N 401.558 1.565 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1539774585 CTTSKQBOKMSTQV-ZFWWWQNUSA-N 417.963 1.894 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(F)(F)F 1540074315 XPWZBXIXELNLCO-GFCCVEGCSA-N 411.450 1.576 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1540550513 SMRQXGYEUKZRKQ-KRWDZBQOSA-N 424.486 1.004 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)N3CCCC3)CC2)cc1 1540876839 CQMOKJNISWETJZ-UHFFFAOYSA-N 424.549 1.944 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C#N)C1 1541878534 CZNQVOOXFQVADN-YLJYHZDGSA-N 421.505 1.514 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)c(F)cc2N)CC1 1542894844 PBNIFFGXZGHEOJ-UHFFFAOYSA-N 411.275 1.068 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1546576953 DLRJVHVMSSRLPE-RCCFBDPRSA-N 410.478 1.071 30 10 HDEE CCOCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@@H]1C(=O)NC1CC1 1548369447 DXMHITZUNZEZGO-QGZVFWFLSA-N 424.423 1.909 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1554370114 DKXBIPXZSQIRKL-MRXNPFEDSA-N 423.521 1.681 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCOCC(F)(F)C(F)F)CCO1 1555993365 NDWHETAYJWNTCA-LBPRGKRZSA-N 414.363 1.986 30 10 HDEE C[C@@H](NC(=O)CNC(=O)CN1CCC2(CC1)CC(=O)C=CO2)c1ccc(F)cc1 1560184377 LOZVOXQDIQDBGM-OAHLLOKOSA-N 403.454 1.457 30 10 HDEE CO[C@@]1(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)C1 1568492118 CBPNWSXARVABED-AEFFLSMTSA-N 411.911 1.253 30 10 HDEE CN(C)S(=O)(=O)NCC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 1583031490 NOTUPFITAQDAIN-UHFFFAOYSA-N 412.522 1.037 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 1583481489 SIOVOLCJAKUFLH-MRXNPFEDSA-N 417.409 1.000 30 10 HDEE CN(C)C(=O)CN1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1585056669 ZTSUSZQECVAMHM-INIZCTEOSA-N 409.531 1.242 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCCCc1c[nH]nc1C 1586072642 IZVKYJLOFOSUCX-KRWDZBQOSA-N 419.526 1.580 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](C(=O)OC)c2ccccc2)s1 1586403696 YNROZNYRRBMGGZ-MRXNPFEDSA-N 422.528 1.828 30 10 HDEE C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1586803283 BROAZJJIFYBIQT-FUHWJXTLSA-N 406.464 1.900 30 10 HDEE C#CCN(CC#CC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1586950759 IFVGUDDQMZOBCY-BRWVUGGUSA-N 408.520 1.142 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)N1CCN(CC)CC1 1587661545 FAJJZQJNEWOOJE-AZUAARDMSA-N 412.586 1.624 30 10 HDEE C#CCCCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893774 HZXAXWGBRMGHGT-PXNSSMCTSA-N 424.567 1.746 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)cc1C 1588083233 CQCHHYSOUTXCDB-GOSISDBHSA-N 413.547 1.821 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCc2nccnc2C)CC1 1588806169 IMTVEPCVVUJSKH-UHFFFAOYSA-N 402.506 1.745 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN(C)CCCOC)CC1 1588806362 OGXSUUAZNBCUBF-UHFFFAOYSA-N 411.554 1.372 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(CS(C)(=O)=O)CC1 1589206886 CEZGBRSZHWJXLX-KBXCAEBGSA-N 405.524 1.046 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1594247815 PUVLYEZMKYMJRH-UHFFFAOYSA-N 423.565 1.830 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C)C1 1594624962 CVHUIXPECOSPMK-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1594708968 DHKUJEKNSZANTL-UHFFFAOYSA-N 411.510 1.480 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@](C)(CC)C1 1595561748 ANVYDVBEWPSFCZ-LJQANCHMSA-N 404.540 1.941 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(COC)CCC2)C1 1595723257 UDDNYOUCJQZNOY-IAGOWNOFSA-N 424.567 1.778 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cnn(C(C)C)c2I)C1 1595791026 VVDBRYLJMLSOSH-GFCCVEGCSA-N 400.264 1.896 30 10 HDEE C=CC[C@@]1(C(=O)NCCc2nnc3n2CCNC3=O)CCCN1C(=O)OC(C)(C)C 1596014027 HZWIKQPWBMNTRF-FQEVSTJZSA-N 418.498 1.026 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(CSc4nc[nH]n4)cc3)C[C@H]1CS(=O)(=O)C2 1598568556 VHLNLZSVWBWSOH-WMLDXEAASA-N 403.489 1.107 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCOCCN(C)C)n1 1612493273 PRPAYMKPAALBPG-LJQANCHMSA-N 404.494 1.160 30 10 HDEE CC[C@H](C)c1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1613170766 OQZIDXCIDTVYQP-HMWBCQRISA-N 412.498 1.688 30 10 HDEE CNC(=O)[C@H](C)NC1=CC(=O)[C@]2(Oc3c(Cl)c(OC)cc(OC)c3C2=O)[C@H](C)C1 1615245708 ARTHRGRJHFKZCT-ZJNREGCTSA-N 422.865 1.888 30 10 HDEE CO[C@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1)C1CC1 1618918972 AJABHHCEJUEFJB-GDIGMMSISA-N 424.571 1.833 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)CCO1 1619733200 AQRLNGWYWVDMOH-HNNXBMFYSA-N 420.420 1.050 30 10 HDEE N#CCC1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCCS2(=O)=O)CC1 1620357390 GLYRKDCJYWQEIW-UHFFFAOYSA-N 403.512 1.439 30 10 HDEE N#Cc1ccc(F)c(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1 1624023987 YPZNUNQUWYSHFO-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)NCC3CC3)C2)c1 1625872368 HBCAGXRIILTKNB-GOSISDBHSA-N 402.516 1.862 30 10 HDEE CC(C)OCCCNC(=O)C1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 1626892117 BFBIAIWYKDTFEK-XUTLUUPISA-N 420.510 1.073 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 1628009447 KMFDFPFRZDRMMB-UHFFFAOYSA-N 419.323 1.630 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C)cc(O)n1 1628266375 GYLHCEBUPPKYQA-AWEZNQCLSA-N 417.491 1.404 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 1628385838 GIUMWQMIUNXPDU-OBAOGOGRSA-N 406.446 1.150 30 10 HDEE COCCCS(=O)(=O)NCC(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 1629794758 NATAJPWEMIETFX-UHFFFAOYSA-N 404.448 1.640 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccnc(C#N)c3)c2)C[C@@H](C)O1 1635744305 CBLBOBNJLNQZRE-GASCZTMLSA-N 414.487 1.681 30 10 HDEE C#CCn1cc(CNC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)cn1 1635749490 NDXYPNMFQOGSMZ-UHFFFAOYSA-N 413.482 1.610 30 10 HDEE Cc1ccc(C(=O)N(C)CCNC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1637483575 AGBWGNVZJHBDJE-UHFFFAOYSA-N 410.496 1.394 30 10 HDEE C[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@H]1CS(N)(=O)=O 1639658656 FOEHABRFUZJCNA-ZBFHGGJFSA-N 401.492 1.460 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCOC3=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1639968769 NRLRXAVFJFAPQL-MRXNPFEDSA-N 400.284 1.961 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1640677935 LZGXUDSLUUAEJG-SUMWQHHRSA-N 415.389 1.735 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)cc1 1642217839 RNXKOUPCGVMRCL-UHFFFAOYSA-N 407.536 1.478 30 10 HDEE CC(C)N(C[C@@H]1CCC(=O)N1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1642969243 TYXMSGUINNEXJD-RDJZCZTQSA-N 411.462 1.279 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H]3CCc4nnnn4CC3)C2)C1 1643034898 UAIQATKNIRQAHV-FEDUSRTKSA-N 415.498 1.281 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC(O)(c3nccn3C)CC2)ccc1F 1644770206 LFUTZRBRASWPKD-UHFFFAOYSA-N 422.482 1.147 30 10 HDEE Cc1csc(C[C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644879198 CPULQUKLDLKAEK-AWEZNQCLSA-N 418.544 1.971 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)c2cc3ccccc3n2CC#N)cn1 1645239673 NOOYVPGPGGKSEE-LJQANCHMSA-N 411.487 1.900 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccn2c(I)cnc12 1649011770 PSVKATSLVBHHOG-UHFFFAOYSA-N 412.187 1.468 30 10 HDEE CC1(c2ncc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)s2)OCCO1 1651223424 DGAOICGLZUCDNU-UHFFFAOYSA-N 417.443 1.880 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)ccc21 1652918789 BFLGLOPPKNPVQS-LJQANCHMSA-N 404.426 1.795 30 10 HDEE N#CC1(C[C@H](O)CN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CCOCC1 1652936616 BWKKFKZWUXHUAF-IRXDYDNUSA-N 413.474 1.055 30 10 HDEE C#CCN1CCN(C(=O)CN(C[C@H](O)COc2ccccc2SC)C(C)C)CC1 1653888506 SKRXDKTWFGGYKR-IBGZPJMESA-N 419.591 1.636 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@]34CCCC[C@@]3(CN(C)C4)C2)c1 1653924686 FXMFHFIRCFBHHE-NHCUHLMSSA-N 401.532 1.546 30 10 HDEE C[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1C(=O)OC(C)(C)C 1654657663 AGUNUYOFDBKETE-YOEHRIQHSA-N 421.519 1.663 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(Cl)cc(C(=O)NC)c2OC)CC1 1665734258 RZSYTQXILQRPOV-UHFFFAOYSA-N 400.884 1.247 30 10 HDEE Cn1nc2c(cc1=O)CN(S(=O)(=O)c1cc(Br)ccc1C#N)CC2 1667852043 AWCCEUKQSJKMAC-UHFFFAOYSA-N 409.265 1.161 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2OC(F)F)CC1 1667880962 DHARPPHEUYHNAV-UHFFFAOYSA-N 406.386 1.044 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 1671073837 UVLDVZSJBLIBJN-CQSZACIVSA-N 422.404 1.224 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@@H](NC(=O)c3ccc(Cl)cc3)C2)n1 1672542983 YIHWSPJWOMNIKA-OAHLLOKOSA-N 401.858 1.407 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1675524138 XNZRUPHPHSEDSF-SJLPKXTDSA-N 407.536 1.681 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1)C(C)C 1681724790 RWGLKCAAFHEYPD-KRWDZBQOSA-N 421.542 1.644 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccnc(Oc4ccccc4)c3)C[C@H]1CS(=O)(=O)C2 1682489029 NCSCVEUOHYOMOC-OXJNMPFZSA-N 412.471 1.954 30 10 HDEE C#CC[C@H](COC)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1682547361 DPENSURFPJJWQM-VQIMIIECSA-N 421.563 1.953 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F)c1ccccc1 1683676548 PDKICTPQQABRPM-QGZVFWFLSA-N 405.451 1.868 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)CC1 1685427830 FSHLCXJNVKURQT-UHFFFAOYSA-N 400.483 1.842 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(C)(N3CCOCC3)CC2)C1 1686056320 VYYSLQKSBXPESX-DLBZAZTESA-N 421.542 1.642 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1687426606 MXKWXQPWBJZCQX-IBGZPJMESA-N 420.554 1.656 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1689852895 MDENDSVTSCFWAZ-RDJZCZTQSA-N 423.583 1.895 30 10 HDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1689916653 QPZXKRVIVBOZKI-CQSZACIVSA-N 413.478 1.696 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1689930304 OZQIZUQMLDEMGU-MRXNPFEDSA-N 409.556 1.446 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1690047705 XJEDZRVNSVJWDQ-MSOLQXFVSA-N 404.536 1.460 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC 1690067954 RFAKKRMJXFXRLG-NRFANRHFSA-N 400.479 1.963 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)N(C)C2CC2)CC1 1690141762 BTPGFPKQCDKIFR-MRXNPFEDSA-N 424.553 1.127 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1690163343 BKTCYRFHTJCZOD-OAHLLOKOSA-N 415.519 1.640 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCN1CCOCC1 1690228028 LTCRTBVDLZOFJH-HNNXBMFYSA-N 414.348 1.849 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2Cl)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690338724 HKTNQOVCBSBXRF-LBPRGKRZSA-N 421.288 1.498 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(N(C)C)nc2)cs1 1693360454 ITVUDIROXKMWGI-KRWDZBQOSA-N 424.534 1.872 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1693873831 CKDHAJYCFPMUND-VHFSOBRXSA-N 401.442 1.277 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)OC 1697756310 CFXQJQQNCFPADV-NEWSRXKRSA-N 424.505 1.441 30 10 HDEE CC(C)(C)C#CC(=O)NCCCOC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701259030 GTTUCLDVMDCNBQ-IYWGDAJJSA-N 402.535 1.973 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(C)CN(C)C1=O 1705587470 WOUZUYWYBGHPOD-QFIPXVFZSA-N 407.474 1.417 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCOCC1 1705590078 AYBHFUZBGYTKPI-SIKLNZKXSA-N 415.538 1.114 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(N(C)C)CCC2)CC1 1705634962 NRVXEKMAOZEGOZ-JOCHJYFZSA-N 416.570 1.170 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1705848559 XKVHYKLZBXOUOV-WPTSPKKTSA-N 416.482 1.151 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1705890480 RRCZRDGVFXBOSI-ZWKOTPCHSA-N 402.543 1.491 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C(N)=O)C2)nnc1C1(c2ccccc2)CCC1 1705908740 VINOISZLADDWBJ-INIZCTEOSA-N 408.506 1.362 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)C1 1706516501 CIVVUIZLTNHFGO-FUHWJXTLSA-N 400.531 1.631 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@H]2COCCO2)CCOC1 1706669821 VFFMMNNBQAIZMC-FXAWDEMLSA-N 405.499 1.474 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1709054192 OYNTUYWWRMEKKG-UOVPBQLFSA-N 412.494 1.014 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1F 1722276534 JBNRWFBAHWOEGK-SOUVJXGZSA-N 423.514 1.953 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1722350282 SLKYBBGZQGKONP-UHFFFAOYSA-N 405.462 1.320 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(CC)CC1)[C@H]1CCS(=O)(=O)C1 1722362348 SUTPENAKYYWJPC-INIZCTEOSA-N 402.524 1.496 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1722365965 GORPWHZRGQOIIW-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN(C)CCOC 1722380360 KNRCJONRZAWGOC-UHFFFAOYSA-N 419.489 1.245 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCC=C 1722403216 WTYJMSFJSCLFDS-UHFFFAOYSA-N 414.897 1.623 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)[C@@H](C)CCC)CC1 1722438524 UOXCIKIMBWTWQZ-KRWDZBQOSA-N 410.526 1.043 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC(F)(F)CO1 1722466683 CFGLPALKJUHNMJ-WOSRLPQWSA-N 417.482 1.305 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@]1(O)CCSC1 1722476445 VVFHXEFCCFXNJZ-WOJBJXKFSA-N 400.552 2.000 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722523475 VIKYYABZCYLNIK-UONOGXRCSA-N 408.484 1.026 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2nc(C)no2)CC1 1722532329 IXUGTBLQHLCBQQ-INIZCTEOSA-N 415.498 1.897 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722532828 XORXNSQPQRNNGA-HNNXBMFYSA-N 400.487 1.280 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@H](C(N)=O)C1 1722693309 JVIUZFHZPHOPEH-CYBMUJFWSA-N 420.420 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C[C@@H]1CCCOC1 1722726507 CEJJJWFSXQFCLO-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1724011406 QBZMMBANIVJDBM-AUUYWEPGSA-N 414.491 1.823 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1726764794 HXSNFCYNAXIMND-YEWDVWPNSA-N 404.858 1.262 30 10 HDEE CCNC(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1728655394 CQXXTMKHUNMLAN-YWZLYKJASA-N 404.490 1.920 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC2CC2)CC1 1729793441 GQAWWXYLGFEZFQ-UHFFFAOYSA-N 423.477 1.231 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)c1 1731180297 GXRYGFVMMJZDDS-QUCCMNQESA-N 422.489 1.989 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCS(=O)(=O)Cc1ccccc1 1740547523 WTDROQXOUGAHJW-MRXNPFEDSA-N 410.503 1.808 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1740555998 PYRSPIJGVJODRL-CQSZACIVSA-N 400.508 1.357 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1740566472 HMPRNZHIPYGEAS-BBWFWOEESA-N 409.556 1.555 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC[C@H]1COCCO1 1740630215 GUYNVVMWVNSYEE-SFHVURJKSA-N 410.474 1.841 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740717726 ZNESOKKPNUISRE-UHFFFAOYSA-N 404.584 1.341 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)CC(=O)N1CCOCC1 1740866263 YBURCMGLFLETLT-UHFFFAOYSA-N 415.542 1.791 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)CCO1 1741106462 ABQYLZGWNQJORH-ZWKOTPCHSA-N 414.466 1.374 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1742834488 HLUCNZWISHZINF-QZTJIDSGSA-N 424.553 1.679 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1746732993 CYPFNCZQRUIFJB-XLIONFOSSA-N 404.515 1.145 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]2CC[C@@H]21 1748293261 FLBCYGISKBIUCP-WBVHZDCISA-N 400.508 1.745 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1CCS(=O)(=O)C1 1748658855 YRZOURTYLDDRNH-LSDHHAIUSA-N 418.519 1.855 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nccc(C(F)F)n2)CC1 1748986913 MBELTQHPZLTLQO-UHFFFAOYSA-N 413.436 1.210 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(F)CCC2)CC1 1748989819 PURSEYRTQZNNOC-MRXNPFEDSA-N 409.531 1.218 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@H]1COCCO1 1749051988 UIZQLGNKUBUSBI-LAUBAEHRSA-N 403.527 1.994 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749260653 UYSGHYVRSKCHTA-HNNXBMFYSA-N 417.901 1.803 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(N)=O)C1 1749459487 LBEWPGWZDOFBIJ-HXUWFJFHSA-N 401.515 1.434 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCNC(=O)C1)C(C)C 1749558495 WMYHYEWMCZYBFV-ROUUACIJSA-N 402.543 1.417 30 10 HDEE COCCOCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1750105498 RARDXFJWSXCCMI-HNNXBMFYSA-N 412.498 1.195 30 10 HDEE CC(C)C(=O)NCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1750570838 WTRXYACXEXBRTC-ZDUSSCGKSA-N 401.471 1.516 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@@H]2CC[C@H](CO)O2)c1 1760126503 AKVDKVPXSGSDOJ-RBUKOAKNSA-N 411.506 1.998 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760237020 SAXQOCHCWHXZMR-HNENSFHCSA-N 410.503 1.916 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CCC(=O)N1CCOCC1 1760289233 MYJKOEIOYMHNNO-LAUBAEHRSA-N 419.526 1.243 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOCC(F)F 1760289282 NNXTVLQFTCQDIY-SUMWQHHRSA-N 419.498 1.552 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2c[nH]nc2C)CC1 1760382328 ODWYKULTBPFAIK-OAHLLOKOSA-N 407.544 1.709 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1760449828 WLYKXKPTDZPZTN-ROUUACIJSA-N 400.483 1.712 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CSCCS1 1760489503 WBCLPFWIHVXMPK-KGLIPLIRSA-N 417.626 1.915 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1760597205 HKFXMQNAUCKBBD-UHFFFAOYSA-N 418.505 1.966 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@H](C(C)C)N1CCOCC1 1761194907 HVKRSOWHHINCGP-SJORKVTESA-N 405.547 1.511 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1Cc1ccc(C#N)o1 1761492864 BIUZIQICRAADNV-ZENOOKHLSA-N 404.496 1.780 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC2(C1)OCCO2 1769836956 HEGOSGDHCPMKAM-MRXNPFEDSA-N 420.514 1.326 30 10 HDEE COCCN(C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@@H](C#N)C1 1771078078 DSOKDWVTFQVXDZ-KRWDZBQOSA-N 404.902 1.905 30 10 HDEE CC[C@H](Sc1nc(CC(=O)ON2C(=O)c3ccccc3C2=O)cs1)C(N)=O 1772787082 VSLOLFPWQWMHFI-LBPRGKRZSA-N 405.457 1.796 30 10 HDEE C=CCN(C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccccc1)[C@@H]1CCN(C)C1=O 1849165881 HVBKRSVFDJRGHO-QZTJIDSGSA-N 405.520 1.475 30 10 HDEE CN1C=N[C@@H](C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)C1 1851215466 MZADZABBADTLQJ-OAQYLSRUSA-N 416.485 1.801 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)c3ccc4c(c3)NC(=O)[C@H]3CCCN43)CO2)nc1 1851451016 PRXYMVUXESVDLE-MAUKXSAKSA-N 405.414 1.851 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)[C@@H]2CCC(=O)N2Cc2ccccc2Cl)NC1=O 1851582346 FGAQGDZTGFRWCS-AWEZNQCLSA-N 402.838 1.152 30 10 HDEE CN1CCN(c2n[nH]c(NC(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)n2)CC1 1852164722 VKJOPBQZPOODLF-INIZCTEOSA-N 402.462 1.859 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCc2nncn2C)c2ccccc2OC)CC1 1853517264 WSUMXWWRGZLUGA-UHFFFAOYSA-N 405.480 1.730 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](CN2CCC(C#N)CC2)CCC1=O 1853759390 VTYVQMAZKJBVMU-MRXNPFEDSA-N 403.504 1.704 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCC(Cn4ccnc4)CC3)C2=O)CC1=O 1854057649 VBRDNZLZIYXTDA-OALUTQOASA-N 413.522 1.147 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@H]1C 1854259161 WEMBKUDKGRAMMD-ZBFHGGJFSA-N 409.483 1.224 30 10 HDEE C=C(C)CN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)C1 1854622830 XNZIHCDNBDRHTO-UHFFFAOYSA-N 405.520 1.722 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cnn3cccnc23)CCN1CC(=O)c1ccc(C#N)cc1 1855166890 VLFCHMIVXKMIDE-CQSZACIVSA-N 402.414 1.157 30 10 HDEE CN(C)c1ccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3C#N)C2)cc1 1855400908 DFTWHOIWHWORFI-QGZVFWFLSA-N 401.444 1.786 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC[C@H](Oc4ncccn4)C3)CC2=O)cc1 1855717427 XNRILIGJYSEEOL-HKUYNNGSSA-N 405.458 1.880 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)CCC(F)(F)F)C2=O)CC1 1856126492 MICCTFLMLDVZGO-OAHLLOKOSA-N 409.412 1.935 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1nnc([C@H]2CCOC2)o1 1856233701 HYNHMUBTYOQIQG-PBHICJAKSA-N 409.446 1.247 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1856430279 DMQWUCQWFVCOGG-ZWKOTPCHSA-N 403.504 1.126 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4cnccn4)C3)C2=O)c1 1856456639 QGGURKMNSHVCTB-MJGOQNOKSA-N 405.458 1.880 30 10 HDEE Cn1nc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1C1CC1 1857107566 AIAMEQZADTUXLZ-QGZVFWFLSA-N 406.446 1.068 30 10 HDEE C[C@@H](Oc1cccc(F)c1)C(=O)N1CCN([C@H]2CCN(CCCC#N)C2)CC1=O 1857156081 LWGCHTYQFBDFMN-AEFFLSMTSA-N 402.470 1.642 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(COc3ncccc3C#N)CC2)CC1=O 1857184189 YDHJMBICXWZECG-QGZVFWFLSA-N 400.479 1.456 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)CC2=O)cc1 1857323798 FYTUCHNPOQQEME-APWZRJJASA-N 410.474 1.411 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1CC(=O)N(C)C1 1857486634 IVMTXZKEMPDKQL-OAHLLOKOSA-N 419.503 1.167 30 10 HDEE CCS(=O)(=O)Nc1ccc2c(c1)N(S(=O)(=O)c1ccccc1C#N)CCO2 1858468413 ROWMTLHKMDTNPA-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE C=CCNC(=O)CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccc(OC)cc1)C2=O 1861508399 OFUWWTODUFQEHG-UHFFFAOYSA-N 407.426 1.523 30 10 HDEE COC(=O)c1sc(C2=C(N)N(c3cc(OC)c(OC)c(OC)c3)CC2=O)nc1C 1872795921 DVCYHJDYWXRALF-UHFFFAOYSA-N 419.459 1.981 30 10 HDEE N#CC12COC(CS(=O)(=O)CC[C@H](NC(=O)OCc3ccccc3)C(=O)O)(C1)C2 1882805979 UXNCGCPYGYDILP-MNNVXMFVSA-N 422.459 1.244 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)CC1 1890194217 JBKDVBIMNKWIIN-UHFFFAOYSA-N 414.506 1.679 30 10 HDEE COC(=O)c1ccc(OC)c(S(=O)(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)c1 1890684988 ARHVEMMRZFZYKM-HNNXBMFYSA-N 417.443 1.590 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)[C@@H]3CCCN3S(C)(=O)=O)cc21 1890798926 GYUNSHNEIVFCDG-HNNXBMFYSA-N 421.519 1.987 30 10 HDEE CO[C@H]1[C@@H](C(=O)NCB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C[C@H]1OC 1897962321 ICEBIVQSYFLILQ-HZSPNIEDSA-N 414.308 1.383 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C[C@@H](C)C1=NO 2029311329 KBCUOUWDKHZRQC-ZIAGYGMSSA-N 407.492 1.811 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@@H](NS(=O)(=O)c1ccc(C#N)s1)C(=O)O 2103250545 GNNDXPCVIYTTCQ-LLVKDONJSA-N 403.482 1.656 30 10 HDEE Cc1csc(CNS(=O)(=O)C[C@H]2CCCO2)c1B1OC(C)(C)C(C)(C)O1 2157020576 UCTWRZQVJKYQGQ-CYBMUJFWSA-N 401.359 1.954 30 10 HDEE C=C(CN=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 2162864258 BJTWJQIRTDXQCG-HHHXNRCGSA-N 404.533 1.518 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2174779345 IAKFDQYHZIVJTE-HUUCEWRRSA-N 401.529 1.870 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCCC2)[C@@H](CO)C1 2174780386 UCWORZOZFBCIMC-OAHLLOKOSA-N 401.529 1.704 30 10 HDEE CC(C)(C)OC(=O)NCCOCCCNS(=O)(=O)c1cc(F)cc(C#N)c1 2174781212 CYADTNYPFIJOBU-UHFFFAOYSA-N 401.460 1.907 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C1CC1 2186340154 IJCLKJNADOEEGY-GFCCVEGCSA-N 405.213 1.680 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2243421221 GZYZOLXGZAYPNQ-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)n1 2247845157 NBZBDWKYHPWYLH-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248439599 ARTVYLPUUYLRNJ-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(CO)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250003271 WBTAXAGBXQHBRK-NRFANRHFSA-N 422.331 1.890 30 10 HDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2256067748 SKQIVKYCTWYVTJ-UHFFFAOYSA-N 424.310 1.506 30 10 HDEE CN[C@@H](C)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707108 LCOMIYJSWCWEOW-JTQLQIEISA-N 408.782 1.977 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N=S3(=O)CCCCC3)c2)OC1(C)C 2282303408 WMGVVZGDRAXQMD-UHFFFAOYSA-N 400.331 1.721 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282319840 ZYACKKXSSLCISO-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331160 KGMJPENNLRSQFT-LLVKDONJSA-N 423.387 1.101 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CCC(CN)CC3)c2)OC1(C)C 2282332664 FDSSETDMKFHDJP-UHFFFAOYSA-N 400.375 1.843 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](O)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282492952 RBGLCMGJUAFVKZ-CYBMUJFWSA-N 401.359 1.713 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@]2(C)C(F)F)OC1(C)C 2282494117 WVEHVDFSAJOXNK-MEBBXXQBSA-N 408.301 1.905 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@H](O)C2)OC1(C)C 2282496235 XOHJFRWLHQJFKZ-RYUDHWBXSA-N 401.721 1.831 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282500302 JUWGJAIFAMGGAH-UHFFFAOYSA-N 401.721 1.808 30 10 HDEE CC[C@H]1CNCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506994 AFMYOTLHKKRUIA-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282524322 BMLPXKQIRAOECT-NSHDSACASA-N 402.347 1.338 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1CN 2282853374 BYFPLHFNJDFRNI-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282870155 NSCJDAYBVGQLEF-CHWSQXEVSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@]2(C)CCC[C@H]2O)OC1(C)C 2282871903 NLEPBDKJKDVJCL-CXAGYDPISA-N 401.359 1.770 30 10 HDEE CCc1nc(C(=O)N[C@H](CSC)C(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284368863 UEMBMCMIXUULLT-SECBINFHSA-N 400.331 1.551 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@](C)(C(=O)O)C(F)F)OC1(C)C 2284411196 ZIYNTAUUXCTGON-CQSZACIVSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(/C=C/CNC(=O)CCNS(=O)(=O)c2cccs2)OC1(C)C 2289418667 FJGDPWQXDQXSDJ-RMKNXTFCSA-N 400.331 1.720 30 10 HDEE C=CCN1C(=O)C(=Cc2c(NCCO)nc3c(C)cccn3c2=O)SC1=S 2296537388 ILPXZKUFWOEVDL-UHFFFAOYSA-N 402.501 1.794 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccco2)c(C)n1 2296624964 POFLKRURLQXJGH-SFHVURJKSA-N 412.446 1.440 30 10 HDEE COc1ccc(CCc2nnc(SCC(N)=O)n2N=Cc2ccc[nH]2)cc1OC 2326183253 GCOKEWXPKDTYNN-UHFFFAOYSA-N 414.491 1.868 30 10 HDEE CCCN[C@H](C#CC(C)(C)OC)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363542026 OVIZUCYTZASYHA-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)C[C@H](NC(=O)OC(C)(C)C)C1(C)C 2365206865 JUNFQRGANHXPBT-BIENJYKASA-N 402.557 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367788792 BDVQUPOWHBCMHE-HOTGVXAUSA-N 401.525 1.734 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(CCCNC(=O)OC(C)(C)C)C(=O)O 2375226948 MKXRXZWNVQSBAD-RDTXWAMCSA-N 402.513 1.257 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 64053286 UXHIVLQBWOKGGW-GOSISDBHSA-N 416.478 1.290 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@@H]2ON(CCC(N)=O)[C@H](c3ccc(C#N)cc3)[C@H]2C1=O 102439384 LTIMDAPSSLFGPI-AVQSHMDHSA-N 418.453 1.837 30 10 HDEE C#CCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@H]1CCS(=O)(=O)C1 111048021 FBVIMVJWPMXTLI-SFHVURJKSA-N 412.515 1.811 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(CC#Cc3ccccc3Cl)CC2)C[C@@H](C)O1 441162714 CBKBKOJMHKGPJY-IAGOWNOFSA-N 411.955 1.663 30 10 HDEE COC(=O)c1sccc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 447290334 LVKVEYIFHFWITG-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCc1ccc2ccccc2n1 460620852 UUDFKUCXAUAIMJ-UHFFFAOYSA-N 411.425 2.251 30 10 HDEE COc1cc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)ccc1C#N 462472325 HTDQMXRTFBYGHX-QGZVFWFLSA-N 424.457 1.691 30 10 HDEE C[C@@H]1[C@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC(=O)N1Cc1ccccc1 466836865 VQRIEGARBXRRIO-YLJYHZDGSA-N 418.501 1.974 30 10 HDEE CCOC[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)C 473961976 FNGYHYFQWRZPGL-QGZVFWFLSA-N 408.524 1.635 30 10 HDEE CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 482497852 GMCPZBPAHCSEGU-JQHSSLGASA-N 404.536 1.699 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)Cn3cnc4ccccc4c3=O)C2=O)cc1 485994643 SCQSVVVZOCZYEZ-LJQANCHMSA-N 401.426 1.185 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 489215051 HPGNLHBDQSCNPX-HXUWFJFHSA-N 420.517 1.421 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)cc2C1=O 497475087 PMLQGVZNMZWRPT-JXFKEZNVSA-N 410.518 1.567 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 505747933 PVKQCUOBKSAYJT-HTAPYJJXSA-N 420.554 1.793 30 10 HDEE COCCn1c(-c2ccncc2)nnc1S(=O)(=O)Cc1ccc(C#N)c(F)c1 506930446 OJCJAXGQOKTWRN-UHFFFAOYSA-N 401.423 1.971 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 508999538 HGHIEHFXNKWFAO-INIZCTEOSA-N 403.450 1.535 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccn(CC(=O)OCC)c3=O)cc2C1=O 513912118 YWAXHFMPPFIUOX-UHFFFAOYSA-N 409.398 1.446 30 10 HDEE Cn1ccnc1CN1CCC[C@H](NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1=O 542153009 BKAWOTIFLHGEML-XOBRGWDASA-N 403.483 1.289 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)CCOCc1ccc(C#N)cc1 558176289 QOGOODTVQJDYMK-HNNXBMFYSA-N 416.503 1.681 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)C[C@@H](C)C#N 567793262 IILPFEULBUFATR-INIZCTEOSA-N 422.551 1.643 30 10 HDEE N#Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1 611644434 FUSAXPCSPVGEMI-GOSISDBHSA-N 412.471 1.930 30 10 HDEE C=CCOCCNC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 679566796 MRUASSXNBBIJFS-UHFFFAOYSA-N 412.512 1.098 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 730393312 HDPFPQNCQAJXQF-OAHLLOKOSA-N 401.419 1.696 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 730405900 NFVRRIIKLBPLBC-MRXNPFEDSA-N 420.878 1.866 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc1 732647644 JAJQVKAGVBPOSP-MJGOQNOKSA-N 416.547 1.595 30 10 HDEE CN1CCN(CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)[C@H](c2ccccc2)C1 732673639 BFXRIVNRPLZPHP-VXKWHMMOSA-N 410.566 1.747 30 10 HDEE CCOc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 737944937 VWNPKHVMFSYJOT-UHFFFAOYSA-N 416.459 1.252 30 10 HDEE COCCNS(=O)(=O)c1cccc(CN[C@H](C(=O)OC)c2ccc(C#N)cc2)c1 739997791 HKFSGRXGDYMABR-IBGZPJMESA-N 417.487 1.487 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(CCNS(C)(=O)=O)cc1)c1ccc(C#N)cc1 740205190 SUKPOFSYRROJQY-GOSISDBHSA-N 416.455 1.721 30 10 HDEE CC[C@@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cccc([N+](=O)[O-])c1 749481328 MSABLZRSUXNAJK-OAHLLOKOSA-N 402.432 1.901 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)c1 751623266 KOQLGIRCOCSJTP-AWEZNQCLSA-N 405.457 1.490 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C[C@@]4(CCc5ccccc54)C3=O)CC2)n1 760549615 CELLEKGGOABIHD-HSZRJFAPSA-N 401.470 1.676 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OC[C@@H](O)COC(C)C 762855419 XTPUJHNCESGGSH-BTYIYWSLSA-N 402.447 1.481 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)nc1 762958249 XJQDMNCZVXQUGU-UHFFFAOYSA-N 418.326 1.940 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 764539934 QQZPKUKMNKMQAL-BZUAXINKSA-N 413.540 1.464 30 10 HDEE Cc1cccc(C2(O)CCN(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c1C 768336797 IWXZNNQODZDMTQ-VXPUYCOJSA-N 412.490 1.823 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 777814384 ZCELINABVDTRMH-IBGZPJMESA-N 411.550 1.387 30 10 HDEE C[C@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCCN1C(=O)COc2ccccc21 780058671 GZMDIEHACGQGKO-OAHLLOKOSA-N 422.441 1.848 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C#N)sc(=Cc2ccnn2-c2ccccc2)c1=O 790359289 ACYGOPWLAHXSFS-UHFFFAOYSA-N 419.466 1.075 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 795055804 CHQTVTOEDCLHIW-IEBWSBKVSA-N 413.522 1.096 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 796699795 OEIOZBHZXSHUPE-UHFFFAOYSA-N 421.381 1.523 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1 804739945 ZVZSNWGLJZGTGS-UHFFFAOYSA-N 423.288 1.996 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)n1 812932361 SPCQZAVCVPKUBN-QGZVFWFLSA-N 413.453 1.619 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCCc2cnn(C)n2)C1=O 814701504 BBKBTTABZRUPLB-INIZCTEOSA-N 400.508 1.824 30 10 HDEE CC(C)(C(=O)N[C@@H]1CCN(O)C1=O)S(=O)(=O)c1ccc(Br)cc1 820179906 RMNSVZMSLRPPAD-LLVKDONJSA-N 405.270 1.108 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)c1 821928062 PHZZIOWUZGQSQT-UHFFFAOYSA-N 409.395 1.611 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1128434213 UBWWDSMKSLZZIA-UHFFFAOYSA-N 420.372 1.021 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1cc(F)c(C#N)c(F)c1 1142070191 DLKJJPPPBHTIHT-UHFFFAOYSA-N 413.377 1.774 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1142078979 AWMIUWRCFDYRKB-UHFFFAOYSA-N 400.485 1.509 30 10 HDEE CN(Cc1nc(=O)o[nH]1)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1143361208 SUSGNJIKAZQTRB-MRXNPFEDSA-N 413.434 1.727 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C)n1-c1ccc(C#N)cc1 1157885085 OTPCVLVNBLYILV-LAUBAEHRSA-N 408.483 1.976 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(Cc2cccc(F)c2)C(C)(C)C)c(=O)n1CCO 1166714752 YMVJZNKLYCWDQA-UHFFFAOYSA-N 416.453 1.149 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CC2)cc1 1184117879 OTGCBVVKXPVIFF-RTWAWAEBSA-N 408.502 1.648 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)N2CCC(C(=O)OC(C)(C)C)CC2)C1=O 1189700997 AKXCYIGOUFLSRL-HNNXBMFYSA-N 401.529 1.004 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@H](O)C1 1254480775 GEDXSBSMFQDMCC-OKZBNKHCSA-N 400.479 1.695 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)C1 1254566027 SBFSHPRVDQSCBN-CYBMUJFWSA-N 406.501 1.943 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NC2CCN(CC#N)CC2)C1 1265010713 NMBQNUJVBYTLCY-UGKGYDQZSA-N 414.506 1.907 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(=O)C[C@@H]3C3CC3)CC2)cc1 1276903535 UBMOJITZZLTVMU-HXUWFJFHSA-N 415.515 1.929 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CC1(S(C)(=O)=O)CCCC1 1286278725 PZOASYLWYIDXMP-CVEARBPZSA-N 412.556 1.817 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1286390671 BAWAMWPTTAPJHM-SJORKVTESA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1286392576 IPUUBKDXCKRBET-HOTGVXAUSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C(=O)OC)CC1 1286430428 NIZSYJGJGWQOQB-QGZVFWFLSA-N 412.494 1.171 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C)CN1CCOCC1 1286432692 UIFLDBFYYOTRFQ-LJQANCHMSA-N 423.565 1.571 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1286509387 POIGKOBFPSMDCQ-JKSUJKDBSA-N 424.592 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCOC2(CCOCC2)C1 1286784274 BWJLVTZRPQDGNX-UHFFFAOYSA-N 411.506 1.942 30 10 HDEE CN(c1ccccc1)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1289436589 OOVVNJFZNZDOCF-SCLBCKFNSA-N 402.501 1.921 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)Nc1nc2n(c1C#N)CCOC2)C[C@@H]1CCCO1 1289682676 DPPCTBOUXUKEJN-ZDUSSCGKSA-N 405.455 1.640 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cnn(CC(F)(F)F)c2)s1 1294663580 LOUWVZQKXFMHHA-UHFFFAOYSA-N 422.454 1.830 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1298689557 JEQQDQDUNLCNGN-OAHLLOKOSA-N 402.472 1.918 30 10 HDEE C#CCN(c1nnc(C)n1CCCSc1nccs1)[C@@H]1CCS(=O)(=O)C1 1300483728 LLBBUCLDZXVAHT-CQSZACIVSA-N 411.578 1.852 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)SC)CC1 1300685171 IKHIEGZUZJSECX-FXAWDEMLSA-N 407.584 1.825 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[S@](=O)CC)CC1 1300723462 UHRPEJUJJMWAJD-MUUNZHRXSA-N 405.568 1.670 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(C)noc2C)CC1 1300725680 JCAQQPFBLPZAIJ-QGZVFWFLSA-N 412.494 1.401 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1300885672 RSPNUGALZXJSOC-KSZLIROESA-N 403.527 1.868 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1301273175 PHMFQJPKPFXGRO-OAHLLOKOSA-N 415.523 1.745 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1301609264 GLJGDFNAIXLTJH-ZDUSSCGKSA-N 402.480 1.654 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccccn2)n1C[C@]1(O)CCSC1 1301808891 HMZIZUJIBQDKJI-LJQANCHMSA-N 402.524 1.498 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cc(CO)nn2)C[C@@H]1O 1302839645 UBHHXJLJLHMLMV-BEFAXECRSA-N 422.493 1.198 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1nccs1 1303847688 FHNNMTPZEBYYMU-GUYCJALGSA-N 423.568 1.718 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1C 1305986150 ABGHTZWXUYGIHB-MRXNPFEDSA-N 408.466 1.325 30 10 HDEE C#Cc1ccc(CNCCS(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 1308458612 HSXUAKOKESMVOM-UHFFFAOYSA-N 413.543 1.918 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1314706976 KAKGLTXSHXUJBJ-KRWDZBQOSA-N 412.494 1.583 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 1356278160 PHCXSVZIPIUCHX-LYKUJDHUSA-N 404.430 1.430 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1358926259 IVLBFNQGZDIAKF-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1359008773 ZVUMZJBQSIYSES-HUUCEWRRSA-N 404.515 1.850 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CC2)CC1 1359041848 KLJXPKZQENIWEI-UHFFFAOYSA-N 424.461 1.344 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2ncccc2N(C)C)CC1 1359045443 HSMPTVKIMCMXEV-UHFFFAOYSA-N 423.565 1.952 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359207424 KIJVVPJFYBQUHB-GOSISDBHSA-N 402.543 1.639 30 10 HDEE C=CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1359210483 UWFVPXKINNBQMR-INIZCTEOSA-N 410.478 1.067 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC1CC1)C1CCC1 1359332065 OAHQIYBRMHTHST-INIZCTEOSA-N 407.540 1.599 30 10 HDEE CC1=C(C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1360883459 SOEVTSNLILZGCU-CQSZACIVSA-N 404.496 1.948 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CCN2C(=O)C(C)=C(C)C2=O)cc(OC)c1OC 1442585908 YBGLBKFDZMZCQW-CQSZACIVSA-N 401.419 1.489 30 10 HDEE C#CCN(CC(=O)Nc1ccc([C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)OC(C)(C)C 1453978218 OBQRNWHSFLZJAF-HNNXBMFYSA-N 400.435 1.766 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)c1 1460858156 GESJKHHFTHSSQG-SQNIBIBYSA-N 406.552 1.795 30 10 HDEE C=CCN(CC(=O)OCC)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1462953104 ZSZCTDXFUVKFMD-UHFFFAOYSA-N 406.407 1.936 30 10 HDEE CC(C)(CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@]1(O)CCOC1 1469351583 QZJQXKVDSSNQDV-XOBRGWDASA-N 405.882 1.858 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)Cc3cc(C)no3)c2)CC1 1470366454 PCXQRWXJMHDVGP-UHFFFAOYSA-N 418.471 1.566 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCC)[C@H](O)c1cccnc1 1471082191 JEYZYDKFHKAMMZ-YESZJQIVSA-N 419.478 1.470 30 10 HDEE Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N1C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C1)O2 1472192041 RGWVSWDLJBHZSG-IWMITWMQSA-N 418.515 1.798 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1 1472368598 OIFLEQCWBJPDBI-GASCZTMLSA-N 407.492 1.384 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H](C)CCO)nnc12 1472592199 RMWGKUUGOWWYKN-ZDUSSCGKSA-N 401.492 1.552 30 10 HDEE C=CCN(CC(=O)NCC(=O)Nc1ccccc1Br)CC(=O)OCC 1473131289 VBRZLYLEMQJHGK-UHFFFAOYSA-N 412.284 1.555 30 10 HDEE C#CC1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1475426084 DDDKPKWQRGNXAR-UHFFFAOYSA-N 412.533 1.050 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1492874861 AFANCWYESLLGHG-UHFFFAOYSA-N 421.427 1.853 30 10 HDEE C[C@H]1CC[C@@H](C)CN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1493417927 DILKLTDTCUMULE-DGPHOGNSSA-N 414.510 1.933 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)CCO1 1505323307 FGZYJCKMPXAGEK-LSDHHAIUSA-N 407.521 1.094 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CC[C@@H]2COCCO2)CCO1 1505326182 WJWPGFSVSATRSU-WOJBJXKFSA-N 411.506 1.988 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1507609078 WJTYYHARZOCPLD-LJQANCHMSA-N 403.490 1.419 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1507617920 CXXCPTQILUDDDJ-UHFFFAOYSA-N 418.519 1.760 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507622803 LZZJDYDBTBSJLR-OXQOHEQNSA-N 408.568 1.969 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1507631739 SREQGQYYJAIUPS-MRXNPFEDSA-N 416.503 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1ccco1 1507660910 HMNBLMHBOHOEJT-FCHUYYIVSA-N 412.490 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCc2ccccc21 1507713210 ZWQRNNCIQAGMFW-AVRDEDQJSA-N 409.490 1.149 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1507968196 PWISCMIFTQCQGO-SNVBAGLBSA-N 401.443 1.286 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1507984218 ZQQHJPWLWWPHAP-HRCADAONSA-N 422.555 1.056 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(N)=O)c1 1508036984 SHWCJTMEARUSKX-UHFFFAOYSA-N 412.494 1.300 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccc(C)c2)CC1 1508093993 XBLFJKYKJRYTSO-GOSISDBHSA-N 410.522 1.719 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cccc(S(C)(=O)=O)c1 1508097996 MQXJGIDTTZFOPO-UHFFFAOYSA-N 415.479 1.128 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)c1ccco1 1508132368 XDJMEKJPHFOKNY-AWEZNQCLSA-N 409.512 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1508144823 HVFIPPKNUVUDAT-ZACQAIPSSA-N 410.540 1.531 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1508415016 BISWMGDBAVWNSQ-LHSJRXKWSA-N 410.478 1.790 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1516858611 LAVYJEIGPHXJOL-AFJIDDCJSA-N 412.519 1.302 30 10 HDEE CO[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1517801440 PKYTXWXLLCZNEO-GJZGRUSLSA-N 410.400 1.960 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@H]1C 1519169868 CDNLEAJTGOBXQH-KKSFZXQISA-N 415.494 1.456 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)cn1 1520335352 BZCILMHLUWUFOA-UHFFFAOYSA-N 421.482 1.867 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3COC[C@H]3C3CC3)CC2)cc1 1537608629 AFAIJTCQNYMGTG-RBUKOAKNSA-N 403.504 1.500 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)CC 1539178887 LRESHFQGFXROCZ-HNNXBMFYSA-N 420.514 1.134 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)C(=O)C1 1539507469 XHPACIXDWTWJQX-UHFFFAOYSA-N 424.530 1.478 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1540901274 YKRBDTAZEUOCRY-BYICEURKSA-N 419.551 1.482 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1541087380 UCWWWBLGIOQHGX-IBGZPJMESA-N 423.521 1.695 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1543462457 MITGFCDQIGUQDL-QAPCUYQASA-N 423.491 1.683 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)ccc1F 1543526231 KNTKABBTJAIBMZ-WMLDXEAASA-N 422.482 1.674 30 10 HDEE CN(C)C(=O)NCCN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1545820977 ORWOEVRWNXGXBM-RDYUPDBUSA-N 407.515 1.503 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCn1ccnc1C 1548138589 VCXPSOJVAQQBCJ-UHFFFAOYSA-N 408.466 1.555 30 10 HDEE COCCN(CCC#N)c1nnc(CC2CCCC2)n1CC(=O)N1CCOCC1 1555558675 ADGJTNDSRUBODG-UHFFFAOYSA-N 404.515 1.236 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1555636927 MXAKGKHNNIFREL-KUHUBIRLSA-N 408.478 1.490 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1556132787 UFTPWPPMUURNLH-CVEARBPZSA-N 421.519 1.898 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1 1557362136 HCYKXDNWVTWOBI-CQSZACIVSA-N 406.426 1.654 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C(=O)OCC 1557935294 XOUWAWWCTLVDHY-OAHLLOKOSA-N 405.838 1.448 30 10 HDEE C#C[C@@H](NC(=O)N1CCn2ncc(I)c2C1)C1CCOCC1 1565105711 LDAZTEJDTYCZPR-CYBMUJFWSA-N 414.247 1.441 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nc(O)c2[C@H]1/C=C\c1ccccc1 1565531610 ONYIBFDOIKZNMM-KQLNYGGHSA-N 418.457 1.773 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(Br)cc(C)c2N)CC1 1565590360 YIUFCALVXYGKOI-UHFFFAOYSA-N 407.312 1.237 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)N1C[C@@H](C)C[C@@H](C)C1)c1cc[nH]n1 1583394675 XCADKEOSRKFTIU-GASCZTMLSA-N 407.515 1.566 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCCN(c4ccccc4C#N)CC3)sc2n(C)c1=O 1584792078 DRJASYFDYQZAAG-UHFFFAOYSA-N 423.498 1.523 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1ccc(F)cc1Cl 1586205649 QXDWHIKVXMQOKL-UHFFFAOYSA-N 423.853 1.907 30 10 HDEE CO[C@@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 1587103587 JEHVHPNQNZJVGW-MJGOQNOKSA-N 421.519 1.127 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1587568995 ULVMMYICDYMRKJ-BXWFABGCSA-N 410.540 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1587640173 PMHFUFURPYSRPB-ZBFHGGJFSA-N 416.503 1.458 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1588280551 MPXKZBUHPRAGDZ-MRXNPFEDSA-N 418.567 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCO[C@H]2C(C)C)CC1 1588969259 ZDGAMXUAMQFIIT-ICSRJNTNSA-N 417.554 1.842 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)NC 1589243006 SHDYBCDZSWXDSW-HXUWFJFHSA-N 417.535 1.707 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(OCC(N)=O)CC1 1589381907 HYWXQNMKULGCLJ-UHFFFAOYSA-N 422.287 1.114 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1593625120 LAYVFIPDVGCFPI-OALUTQOASA-N 410.522 1.661 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C)C2(CCC2)C1 1595476103 HVHUHSVIGOXZBM-LSDHHAIUSA-N 424.571 1.207 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1603401954 OBMBSHJNUCWWRH-CYBMUJFWSA-N 414.215 1.604 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CO[C@H](CCC(=O)OC(C)(C)C)C2)c1C#N 1609507434 MXGNPSKZGUCKHI-ZIAGYGMSSA-N 405.499 1.899 30 10 HDEE C#CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCN(C)CC1 1611145564 RGEPIAFWIOQSPX-LJQANCHMSA-N 407.474 1.319 30 10 HDEE C=CCn1c(SC[C@]2(C)NC(=O)NC2=O)nnc1[C@H]1COc2ccccc2O1 1613299581 XDXYREPDIYVTDE-ACJLOTCBSA-N 401.448 1.667 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CN(Cc3cccc(C#N)n3)C2)CC1 1621165370 CTLSJYUVCWXECE-UHFFFAOYSA-N 421.523 1.020 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)OC 1622450450 RMDSOFRSBIFHBU-MRXNPFEDSA-N 408.476 1.490 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1626301178 MVXUOXMKSBYHFP-DLBZAZTESA-N 408.437 1.757 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N(CCC#N)c1ccc2c(c1)OCCO2 1626888416 DESKGKPUMUXSLN-HNNXBMFYSA-N 405.451 1.980 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(F)c(Br)c3)C[C@H]1CS(=O)(=O)C2 1627136723 NIHVYTQBKUUCGT-XHDPSFHLSA-N 401.257 1.527 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(N)=O 1630917888 FZOZNNJZFBRZGZ-FQEVSTJZSA-N 406.486 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCC(=O)NC1=O 1631007212 DWHYVVXEXLLQLP-WBVHZDCISA-N 412.446 1.314 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)N(C)CC)s1 1632168371 PVLQCEYKZDHGRV-ZDUSSCGKSA-N 417.578 1.135 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1632218424 ANAVGABTTLUSGK-LJQANCHMSA-N 415.471 1.231 30 10 HDEE C#C[C@H](NC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)[C@H]1CCCO1 1634470432 TUDYFLKWRMDVET-ZWKOTPCHSA-N 407.511 1.977 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C=O)s3)cc2)CC1 1636480850 XOCFHXMOLPSGQP-UHFFFAOYSA-N 417.512 1.453 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CC1 1638655146 GXTIKHNYVJCPJR-IBGZPJMESA-N 401.486 1.782 30 10 HDEE C[C@](O)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(F)c1 1638727222 NIBHEIQLERTMMC-AVRDEDQJSA-N 424.432 1.926 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)NCc1ccnc(C#N)c1)N2C(=O)OC(C)(C)C 1640009700 MURRAHSUAAGZDD-LUKYLMHMSA-N 414.462 1.757 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1 1640830183 CUIXUQOKGMABNN-IIBYNOLFSA-N 417.462 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](N4CCOC4=O)C3)C2)C1 1640924506 OROOGGMCIMOTPO-FMPZLKCCSA-N 418.494 1.826 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(n3)CCCN4)CC2)cc1 1641139592 VWLPTOHZNBGOQS-UHFFFAOYSA-N 411.487 1.458 30 10 HDEE NS(=O)(=O)c1ccccc1N1CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1641519823 OHTCUXNGYMKGIH-JXMROGBWSA-N 417.462 1.404 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2CC2CCCCC2)c1 1643029859 YZTJJZXDRMXDTG-LJQANCHMSA-N 417.531 1.509 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC[C@]2(CC(C(=O)OC)=NO2)C1 1643873982 JYJZMZUJUAQIAT-NRFANRHFSA-N 410.430 1.971 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)C1 1645230110 UFCSYPJTLAKYSB-CQSZACIVSA-N 414.911 1.560 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(CC(=O)NC3(C#N)CCC3)C2)nn1 1646037810 NWESYNOLJZRCEC-MRXNPFEDSA-N 417.514 1.502 30 10 HDEE COC(=O)[C@]1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)C1 1648149062 VAXUVALWQJNZGX-NRFANRHFSA-N 414.437 1.653 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 1650846339 SFTCGWIFEWPTLU-UHFFFAOYSA-N 411.483 1.143 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3ccc(CN4CCOCC4)cn3)CC2)o1 1650926797 SDSVJKJFMYYPAV-UHFFFAOYSA-N 410.478 1.937 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC1CC1 1655912458 CKBSJXKVCWFAGP-GOSISDBHSA-N 411.483 1.961 30 10 HDEE NC(=O)C1(c2ccccc2)CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1657332248 MAXACONVVACSDB-UHFFFAOYSA-N 401.466 1.805 30 10 HDEE COC[C@@]1(CNC(=O)N2CCC(C#N)(C(=O)OC)CC2)OCCc2ccccc21 1683024159 DQFPXFATIYSHOL-OAQYLSRUSA-N 401.463 1.589 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 1686854241 VYFDNGRBBFMECN-LSDHHAIUSA-N 421.479 1.611 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccnc1OCCOC 1689824160 JIEYGFHLEKPFQP-OAHLLOKOSA-N 400.483 1.343 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1689972375 MRKBQQPXYZVXNG-CALCHBBNSA-N 402.543 1.358 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689991936 DTBBDBJXNCIPDG-YLJYHZDGSA-N 417.535 1.052 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(F)(F)Br 1690092553 MUIDAGVUWJNPRV-UHFFFAOYSA-N 420.258 1.588 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@H]2C(C)C)CC1 1690109297 MWLWXCTWYPNYKQ-MOPGFXCFSA-N 414.554 1.330 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC(=O)N1 1690449324 DFTZHWMYRFLZQC-JKSUJKDBSA-N 409.556 1.641 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1690525875 RWNQBKQGRAKWFW-OAHLLOKOSA-N 415.585 1.173 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H](C(=O)NCCCC)CC[C@H]1C 1690669890 RLXCCQDMCAZVET-WBVHZDCISA-N 402.543 1.979 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)[C@H](CC)C1 1690671371 UREFHANYSURMQA-QZTJIDSGSA-N 420.558 1.369 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1694820355 RZEOJSPZERPJAO-SFXXBHMCSA-N 424.509 1.830 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(c2nc(C)ns2)CC1 1705530918 ZEWCFKYVVKZHTB-UHFFFAOYSA-N 411.539 1.969 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)c(OC)c1 1705541492 KQGMEFOKSLUSEH-LBPRGKRZSA-N 411.915 1.668 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1C[C@@H](C)O[C@H](C)C1 1705598556 LMLHWXNJJUPGJU-ZHALLVOQSA-N 418.563 1.847 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCNC(=O)C(C)(C)C)CC1 1705641069 OYLKCWCRCUMHFD-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1705644289 LEKJZCYCLNSYGX-XFQAVAEZSA-N 403.527 1.297 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705781599 DCYXLIZORLQOBZ-YESZJQIVSA-N 410.540 1.123 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](NC(C)=O)C1 1705825676 ZXBFAONHOBRFRA-QGZVFWFLSA-N 404.515 1.212 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 1705892574 PRFIBGIAAQAMNF-HUUCEWRRSA-N 404.515 1.936 30 10 HDEE CC(C)CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1706466265 ANWNUCMZCLYHFD-HNNXBMFYSA-N 407.478 1.967 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@](C)(O)c2ccco2)cs1 1707761491 RLTYPHVDJLOOEZ-BEFAXECRSA-N 414.491 1.863 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1=CCCOC1 1710731364 PKNVRQUZKCGNBI-UHFFFAOYSA-N 409.494 1.755 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722318345 NXNANVTUNJZJKT-AVRDEDQJSA-N 415.538 1.978 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722333438 KOGUSTDYZGVDOI-MOPGFXCFSA-N 414.554 1.676 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC=C 1722383114 GSEPEEDROWSBDH-KRWDZBQOSA-N 405.524 1.040 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)CCCN2C 1722385173 CEMSUPYKJMLDJM-UHFFFAOYSA-N 416.529 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCS(C)(=O)=O 1722387017 PXZWVNOJRDNMAU-UHFFFAOYSA-N 411.487 1.236 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2CCCCCC2=O)CC1 1722441013 HUGKGAFOUMMFCQ-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722525977 NCHJPEOYFOXPTK-YJBOKZPZSA-N 415.498 1.165 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1722641929 JJLAIOHDJMJVEV-HNNXBMFYSA-N 408.466 1.127 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1722680634 UBZHGUZVFNZRHQ-UWJYYQICSA-N 419.526 1.377 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCC(=O)NC 1722707558 SDLZKBGDLVNEGI-MRXNPFEDSA-N 412.494 1.415 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)C1 1722714422 MXNWRIIZGUDUON-QZTJIDSGSA-N 416.526 1.269 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1722725588 OHSAAJQDGCNLKG-UHFFFAOYSA-N 415.519 1.357 30 10 HDEE CN(Cc1cnccn1)c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729432932 HKNPQROMIBCYCM-ZZEZOPTASA-N 422.493 1.889 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)C1 1731181682 IVQNYJGVMVNGQP-SFHVURJKSA-N 404.471 1.231 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCS(C)(=O)=O 1740549600 MHFLEEZRDGQLKR-ZDUSSCGKSA-N 414.491 1.487 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(C)C)CC1 1740567670 UQPUMPVLRRLNCG-MRXNPFEDSA-N 410.588 1.659 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740590860 KIZQQCSXIONFKZ-DLBZAZTESA-N 421.567 1.335 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1740611080 SZXMMLGEGHOIFK-QGZVFWFLSA-N 403.508 1.037 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC1(S(C)(=O)=O)CCC1 1740684648 XSGNZELOEKNLPT-UHFFFAOYSA-N 417.535 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](CCC)OC)CC1 1740692221 GQBFXQJLRVIDIU-WIYYLYMNSA-N 405.543 1.501 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](OC)C(F)(F)F)CC1 1740695322 NGGIACWALHTTJW-HNNXBMFYSA-N 411.432 1.401 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@@H]2C[C@H]2C)CC1 1740701132 VUZWJADPUPYVOL-GDBMZVCRSA-N 407.478 1.472 30 10 HDEE C#CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(C)C 1740717598 WUXXUBQFSLVEGH-OAHLLOKOSA-N 415.585 1.070 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740786378 BGEMSFIROWAPCA-OAQYLSRUSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(CC)s1 1740950938 NGXBTIPAIBFCCT-UHFFFAOYSA-N 417.539 1.472 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740956791 QDWWMYRZZWVRMO-HOCLYGCPSA-N 414.897 1.616 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(c2ccnn2C)CC1 1740958174 JUYJCCIFBPYZSP-SFHVURJKSA-N 413.526 1.939 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1741801438 AQBSKZFDWOKYRW-HUUCEWRRSA-N 410.544 1.540 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1745953394 HXMIIAVAIGVMSZ-QGZVFWFLSA-N 415.519 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(C)(C)O 1748665886 WOSORVBLZXPCNK-CQSZACIVSA-N 404.540 1.857 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1748725218 WHCPDCUFKWOOBN-CVEARBPZSA-N 400.483 1.139 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1748750447 GYNDBMGCPACSMY-HOTGVXAUSA-N 412.498 1.117 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC1CCOCC1 1748968750 KBTHPDOGPKYGJY-UHFFFAOYSA-N 417.535 1.782 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc2cnccc2c1 1749650424 WOAVRIAFCOWNKT-UHFFFAOYSA-N 421.505 1.903 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)cc1 1749686484 UZKHMVBIKIUXHN-QGZVFWFLSA-N 418.519 1.630 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1751017354 FGCXQYXGCZKWTO-MOPGFXCFSA-N 408.478 1.239 30 10 HDEE C[C@H]1COCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1752411714 GCATUAQZKFMXLZ-WMZOPIPTSA-N 424.505 1.728 30 10 HDEE C#CCCCn1c(N2CCN(C(=O)COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760159238 ABLWFSPHYPHBJK-OAQYLSRUSA-N 419.526 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)c1ccco1 1760167745 BHYVOQDNUFEGAU-UHFFFAOYSA-N 417.433 1.013 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1760185273 UHLWGLDRVGBXKG-OAHLLOKOSA-N 418.494 1.626 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1760190074 XYASOKBKSJBMKX-KSZLIROESA-N 422.551 1.573 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CCC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1760192420 UMRVNMONROWZOR-INIZCTEOSA-N 419.551 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1CCNS(=O)(=O)c1ccc(C)s1 1760201999 PWWQHWVRPOROLW-UHFFFAOYSA-N 403.533 1.577 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(CC)s1 1760205858 LMRTVVOROVPXPM-HNNXBMFYSA-N 402.545 1.925 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccn(C)n1 1760250397 YYTTUMCFAIZQQT-IBGZPJMESA-N 408.462 1.658 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760269033 WCVVZYMQEOWMSL-AEFFLSMTSA-N 423.521 1.252 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O 1760326967 ALEUYWGSVRHGCF-BRWVUGGUSA-N 412.556 1.982 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)OC)CC1 1760333344 DKOPTOXQJXYKND-DOTOQJQBSA-N 413.482 1.605 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1760351641 IUYUMJYAOMMRDN-HNNXBMFYSA-N 419.486 1.278 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1760358465 WDBCKLXXEFGFQM-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CCN(C(C)C)CC2)CC1 1760391889 VMHWOVROJYSQAX-UHFFFAOYSA-N 416.570 1.792 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760435935 BAUNDJZLVQVCJX-UHFFFAOYSA-N 419.555 1.952 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760436571 VEQZZPCSCLZKMG-GOSISDBHSA-N 412.542 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760551005 QFTTVORXKMJIBA-UHFFFAOYSA-N 418.498 1.525 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1COc2ccccc2O1 1761217751 ZIWNEUFNLNQGDO-XOBRGWDASA-N 414.441 1.698 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nccs2)CCOC1 1761290541 BIQVYICVEQPUTG-KSSFIOAISA-N 404.496 1.552 30 10 HDEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1762664746 DSYANEWQEWOYHK-UHFFFAOYSA-N 407.434 1.318 30 10 HDEE CC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1763489770 DGNMKVDDYTZSGL-APWZRJJASA-N 424.505 1.679 30 10 HDEE CCCNC(=O)Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1764584667 SVACGMVWZKSYFT-RTBURBONSA-N 408.478 1.287 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1767575497 MEBVWUFFKAQANB-BTYIYWSLSA-N 412.494 1.441 30 10 HDEE CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1768148571 YEVQIMJQPGDUBU-MRXNPFEDSA-N 421.509 1.697 30 10 HDEE COCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1769737213 CIQOHGOVSUPYCK-DOTOQJQBSA-N 412.498 1.543 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCOCC2)CC1 1772555205 XUKYTHFJSVETJI-NRFANRHFSA-N 406.527 1.874 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C2OCCO2)c1 1772564753 FUMONQHQBDDTMK-KRWDZBQOSA-N 418.519 1.896 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCN(C)C1=O 1849168271 YCGOYPKDTURXNI-LSDHHAIUSA-N 411.549 1.394 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1C 1849522010 UNRLAPRZWCKLAI-INIZCTEOSA-N 404.474 1.665 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N1CCC(COc3cc(C#N)ccn3)CC1)CC2 1850734840 MDQVCVQJCTWWDZ-QGZVFWFLSA-N 407.474 1.469 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)CC2)c(Cl)c1 1852099250 YAULJZVFXZBASR-MRXNPFEDSA-N 416.909 1.888 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(F)cc1 1852983465 IYABYYOJLJXNGV-ZDUSSCGKSA-N 414.528 1.705 30 10 HDEE CC(C)N1CCN(C(=O)c2ccccc2C(=O)N(C)C(=S)N=CN(C)C)CC1 1853145764 JGTKHEKOROWKKA-UHFFFAOYSA-N 403.552 1.800 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)NCc3ccccc3C(F)(F)F)CC2)n1 1853206480 VZTRCUYOOPULPQ-UHFFFAOYSA-N 404.396 1.805 30 10 HDEE Cc1nc(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)c(C#N)c(C)c1Br 1853340454 YCNUZKAHAPKXCO-JTQLQIEISA-N 401.286 1.096 30 10 HDEE CN(C)CCCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1cccn1C 1853505024 HFEBTZGGQDXTPO-UHFFFAOYSA-N 419.507 1.128 30 10 HDEE C=CCN[C@@H](C)[C@H]1CCN(C(=O)Cn2c(=O)c3oc4ccccc4c3n(C)c2=O)C1 1853539865 NRQOLDDXUCMUGS-GJZGRUSLSA-N 410.474 1.459 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854283434 FPVKLOVFJFKEKK-SJLPKXTDSA-N 416.501 1.761 30 10 HDEE CCCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)[C@@H](C)C2=O)cc1 1854722548 MZOQBPNHLMLITO-HNNXBMFYSA-N 407.492 1.321 30 10 HDEE C[C@H](Oc1ccccc1)C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855321954 PJSVWRHSMBUBPD-WMLDXEAASA-N 402.428 1.873 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1855411506 GRNLSUASQXDMHL-QZTJIDSGSA-N 402.539 1.099 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)Cc3ccccc3)C2)CC1=O 1855662332 VKOWIBPLJFFFSQ-GOSISDBHSA-N 405.520 1.228 30 10 HDEE C=CCN1CCN(C(=O)CCn2cnc3c(cnn3C(C)(C)C)c2=O)C(=O)C1(C)C 1856377180 MCEZFDCTNFONTK-UHFFFAOYSA-N 414.510 1.374 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)O[C@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856791995 MDZHLOMZMPRPKH-AEFFLSMTSA-N 407.492 1.669 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)COc2ccc(-n3cnnn3)cc2)C1 1857024582 ULMLMOXYEVCHQO-IAGOWNOFSA-N 410.478 1.457 30 10 HDEE CC(=O)CCC(=O)N1C[C@H](CN2CCC(COc3cccc(C#N)n3)CC2)CC1=O 1857110294 KWWLOVSGJWKYBX-SFHVURJKSA-N 412.490 1.788 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3ccc(-n4cccn4)nn3)C1)CC2 1857229779 DIJRSFZBXIYTIN-JKSUJKDBSA-N 405.462 1.277 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@@H]2CCCO2)CC1 1857296971 LMVFKWMTSBDPBO-SFHVURJKSA-N 417.487 1.596 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NC(=O)C3CCN(C(=O)C(F)(F)F)CC3)C2)c1 1858298240 ITTIMOMMZYVXAO-INIZCTEOSA-N 422.407 1.690 30 10 HDEE CSc1ccc(Cl)cc1CC(=O)N1CS[C@H](NCCCNC=O)[C@@H]1C=O 1860887069 NAISDAAIBDRECT-YOEHRIQHSA-N 415.968 1.757 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1cccn(Cc2ccccc2Cl)c1=O 1861315496 NLMJMQBWVGFTLI-YJBOKZPZSA-N 415.877 1.428 30 10 HDEE C=CCN=c1nc(Nc2ccc(OC)cc2)[nH]c(N2CCN(c3ncccn3)CC2)n1 1871561088 VNMLJBDMFAMXDV-UHFFFAOYSA-N 419.493 1.760 30 10 HDEE C=CCN=c1nc(N2CC(O)C2)[nH]c(=Nc2cccc(OCc3ccccc3)c2)[nH]1 1871634519 ZKIXXQSPGODXRF-UHFFFAOYSA-N 404.474 1.817 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccc2nc(O)oc2c1 1872596239 KOGAUDQVYIZTAO-MRXNPFEDSA-N 419.434 1.864 30 10 HDEE CCOc1c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cccc1OC 1874444771 KPYXPEYBWAXFIV-ANKPHQHTSA-N 405.480 1.997 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(NN)ncc2Br)CCN1Cc1ccccc1 1914892985 URXICPYSRUHROQ-CQSZACIVSA-N 415.295 1.980 30 10 HDEE C#CC[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 1984818752 CCOGWOIOZBSJPD-HOTGVXAUSA-N 418.446 1.606 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1ccc(C#N)c(Br)c1 2060791833 HKWVPAFBTHJTPW-UHFFFAOYSA-N 411.256 1.900 30 10 HDEE O=C(OCc1ccccc1)N1Cc2nn([C@@H]3CCS(=O)(=O)C3)c(C=NO)c2C1 2069899882 MCCGFZKHKAEVLA-CQSZACIVSA-N 404.448 1.703 30 10 HDEE N#Cc1ccc(C[S@@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2074698611 ITTPOTOEHBVDFR-UULLZXFKSA-N 401.444 1.972 30 10 HDEE N#Cc1cccc(C[S@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074703100 UHSBYASDQRMKRE-YMGMXPECSA-N 401.444 1.972 30 10 HDEE C#C[C@H]1CCCN1S(=O)(=O)c1ccc(I)c(C(=O)O)c1 2145050541 QNURBKOQPFCZNR-VIFPVBQESA-N 405.213 1.776 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2174788531 GFGRPFCUUPFGQP-BZUAXINKSA-N 403.545 1.710 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1CO 2174788532 GFGRPFCUUPFGQP-OAGGEKHMSA-N 403.545 1.710 30 10 HDEE C#CCN(C(=O)[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180105244 ZLXUVKHUZQFSBT-QWHCGFSZSA-N 406.451 1.280 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243430254 ONFCYLFPZMCTTQ-LCGIIJARSA-N 406.288 1.418 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247287894 RUPASPGJXMUHQG-HZPDHXFCSA-N 419.331 1.845 30 10 HDEE C#CC[C@@H]1CCCCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181451 NWOQZWHLDFDGGS-IAGOWNOFSA-N 408.476 1.574 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2267368084 DEQBBAIVEKBNNX-JNDILOIQSA-N 405.372 1.189 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469736 AOGAGVSGCIVARO-DEOSSOPVSA-N 409.360 1.480 30 10 HDEE C[C@H](C[S@@](C)=O)N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267728543 WTXINFODFPDLKU-YDGUKXNOSA-N 407.388 1.435 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282033382 SSDKYQSTAAAVMU-MNOVXSKESA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@@]3(C)CO)c2Cl)OC1(C)C 2282056645 VOWNOZGJRHSCBM-BTDLBPIBSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3[C@H]4CNC[C@H]43)cc2Cl)OC1(C)C 2282308265 PCAFJJBAIWDIHH-URLYPYJESA-N 418.777 1.444 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@](C)(=O)CCCCN)c2)OC1(C)C 2282334263 ZICLTCZJCVNLOE-VWLOTQADSA-N 422.403 1.573 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCCC[C@H]2CO)OC1(C)C 2282416141 RESPXVCFGTWXPH-AWEZNQCLSA-N 401.359 1.724 30 10 HDEE CC(C)(O)[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282503326 YLBXZZLIFGSTNC-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1SCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282508612 YQJHXKDYPUUWLS-RYUDHWBXSA-N 401.363 1.234 30 10 HDEE C[C@H](CCNC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282541870 AIMZBOBURFKDRQ-SKVICXGVSA-N 403.741 1.260 30 10 HDEE Cc1c(C(=O)NC[C@H](C)CC2(C)OCCO2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2282591096 LMLUBSGZBDMELB-CYBMUJFWSA-N 407.320 1.547 30 10 HDEE CN(C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2282613532 LXIGOUWMQLHHPQ-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC[S@](C)=O 2282824339 AKUQTYRVGUPZAE-VWLOTQADSA-N 421.415 1.793 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCCC(N)=O)c(Cl)c2)OC1(C)C 2282830580 WRQAVKRFWOYLFT-UHFFFAOYSA-N 402.709 1.183 30 10 HDEE C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848667 QIUBGLRXLPQUDA-OCCSQVGLSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCOCCOCC2)OC1(C)C 2282856419 RVTFUYUWTOVAOC-UHFFFAOYSA-N 403.331 1.085 30 10 HDEE CCCN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282863829 XDFOMHLRMPPMKI-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC(=O)O)C2CC2)OC1(C)C 2284414555 IMGFFIGJBBSCSP-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2298371044 WTHSQGTWFCSYKA-FPMFFAJLSA-N 418.303 1.447 30 10 HDEE CC#CC[C@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2338833237 JWHZWBOKXMEZOX-KRWDZBQOSA-N 420.487 1.629 30 10 HDEE CC(C)(C#C[C@H](N)C1(O)CCC(NC(=O)OCc2ccccc2)CC1)S(C)(=O)=O 2339661256 GRCUFQJVIVLCBW-WBTXTPOCSA-N 422.547 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339662776 MKLMYVVWIMSCNA-RYUDHWBXSA-N 402.542 1.128 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)CC1(C)C 2365170625 UFUWGEQJFRWOPR-DZGCQCFKSA-N 401.525 1.779 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2365205689 VPESXWVGXSBYIL-CVEARBPZSA-N 403.589 1.636 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@]([C@H](N)C#CC(C)(C)S(C)(=O)=O)(CO1)C2 2365208867 DMMXREWDZRVJKY-CCKFTAQKSA-N 400.541 1.604 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367788861 BRVMJHXRCFMEIN-ACJLOTCBSA-N 401.481 1.342 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367804692 VWJUAZGHUZMIPS-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE Cc1c(C#N)c(SCCCn2c(=O)c3c(ncn3C)n(C)c2=O)nc2c1CCC2 24851666 YMQJXFKMTWYKLW-UHFFFAOYSA-N 410.503 1.680 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)cc1 29898799 VPDMAWXSWWDSSY-CQSZACIVSA-N 403.508 1.960 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c(C)c1 219984008 KECIYJAZZMPICZ-OAHLLOKOSA-N 401.448 1.457 30 10 HDEE C=CCn1nc(C)c(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)c1C 253569742 MSNNLKPNOBNWLY-YBFXNURJSA-N 417.543 1.116 30 10 HDEE CC(C)N1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(F)c(F)c1 302024566 JTSBVXJPLGUJLW-IAGOWNOFSA-N 403.433 1.870 30 10 HDEE CCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 409480468 WACSFGQMLPGCJW-HOCLYGCPSA-N 402.879 1.821 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccc(F)c4)no3)C2)CCO1 409583843 WMEPRTZBXAIGAO-HOCLYGCPSA-N 421.454 1.524 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCSC[C@H]2CCO)cc1 442104107 CFTDJGSGHSVNBH-GOSISDBHSA-N 417.531 1.766 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)cc1 444563977 WLSMMWBWCRTQCP-OXJNMPFZSA-N 424.519 1.628 30 10 HDEE C=CCCCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 448373166 FTLYNEXLSJSHSO-UHFFFAOYSA-N 405.520 1.833 30 10 HDEE CCS(=O)(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 466433263 GGVQTGJBTPSERQ-UHFFFAOYSA-N 419.528 1.863 30 10 HDEE C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466768481 VTLWPBHYJXTPTN-QAPCUYQASA-N 417.535 1.057 30 10 HDEE CCNc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(C#N)cn1C 477781913 GTFIUAIMFZRENY-UHFFFAOYSA-N 417.491 1.602 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)c2ccccc2)cc1 480950119 CWAAYRLXJPKTEE-AWEZNQCLSA-N 421.500 1.968 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(F)c(CN(C)C)c1 482178018 GYLASUVIDCEGKV-AWEZNQCLSA-N 418.494 1.742 30 10 HDEE Cn1c(=O)c(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc2ccccc21 494398924 RKBOOGRIGOASIC-UHFFFAOYSA-N 402.458 1.837 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C 502053602 WNJMDQIIALYJGT-UHFFFAOYSA-N 421.526 1.360 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1 503646463 ZKUBZKQTINXZIH-UHFFFAOYSA-N 422.445 1.607 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H](C#N)C2CC2)c1 505972159 VBMQNQBQQKBDOL-SFHVURJKSA-N 420.535 1.586 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3Br)n2C)CC1 507855905 KFVUDIKKENTXPT-UHFFFAOYSA-N 419.327 1.669 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)(C)C)C1 508798990 ZEEIZYRCODGIOL-GJZGRUSLSA-N 413.544 1.048 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@@]2(CCOC2)C1 508856610 LHBFIZPRELQLRP-NRFANRHFSA-N 411.510 1.634 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@H]2CS(N)(=O)=O)n(C2CCCC2)c1C 512276756 DXBKWMUYXGWZRG-INIZCTEOSA-N 407.540 1.783 30 10 HDEE COc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 523814919 PVJAMZGVTVEGIU-TZIWHRDSSA-N 419.485 1.830 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 541101256 LPJLSXSVXJUKGE-CQSZACIVSA-N 422.898 1.943 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2ccc(Cl)cc2[N+](=O)[O-])CC1 544208936 UYBFTOFNVZKKHH-UHFFFAOYSA-N 412.899 1.787 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cnc4c(c3)c(O)nc(=O)n4C3CC3)CC2)n1 546197204 IASPKKOWJPKCKR-UHFFFAOYSA-N 417.429 1.061 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Br)ccc2F)CC1 579028306 DEELLYJUNIEWBO-UHFFFAOYSA-N 413.291 1.718 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CC1 584753423 RDFYDOFQZRVYEV-ZDUSSCGKSA-N 407.434 1.918 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCC(C)C)nc1C 586300992 DIDKMOWVGMGJND-AREMUKBSSA-N 402.494 1.681 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 588901167 NYCRHNZWKNGSRN-QZTJIDSGSA-N 411.483 1.897 30 10 HDEE COc1ccc(C(=O)NCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 604127647 DFDGCYPXOVXDAN-UHFFFAOYSA-N 408.462 1.223 30 10 HDEE N#Cc1ccc(CNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)c(F)c1 609229984 ZYOCRVFCWYYWRN-UHFFFAOYSA-N 404.419 1.949 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 669817760 CRRRRNGOWWUKGS-HOTGVXAUSA-N 407.544 1.729 30 10 HDEE O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@@H]1CCCN(CCO)C1=O 682339158 FNOMVHWQCYBWRK-GOSISDBHSA-N 411.483 1.186 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cn1 728801604 BEFOJVXXAHQRNK-UHFFFAOYSA-N 400.416 1.118 30 10 HDEE CCCn1c(=O)n(CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c2ccccc21 731862388 FKJIJYVLNYXRQH-FMQUCBEESA-N 411.462 1.246 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]3CCCO3)c2=O)cn1 732560911 CAADZARKEVOHAP-OAHLLOKOSA-N 414.531 1.423 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(=O)n(-c4ccccc4)c(O)nc3c2)CCN1C1CC1 732651985 LVPKEMYHOAZZPU-GOSISDBHSA-N 415.453 1.904 30 10 HDEE C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(C3CC3)[C@@H](C#N)C2)C1=O 732665942 BCLZONGCNSOBOY-IFXJQAMLSA-N 405.861 1.876 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccnc2OCc2ccccc2)CCN1C1CC1 732706478 KVMOONDCENJCDI-SFHVURJKSA-N 405.458 1.798 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1 750046242 VFKAHCZMCQWSBG-LJQANCHMSA-N 411.487 1.373 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc4c(c3O)CCCC4)CC2)o1 755095112 DINKDABNCBDEGK-UHFFFAOYSA-N 424.457 1.945 30 10 HDEE N#C[C@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 755425062 YPRVYTKQZGZTGO-LEWJYISDSA-N 404.470 1.824 30 10 HDEE COC(=O)c1ncsc1S(=O)(=O)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 768013846 SDMNOWICRHHZAP-ZDUSSCGKSA-N 420.472 1.275 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2Cl)N(CCc2nnnn2C)C1=O 771545976 VWYAZDUCCOMGFM-GFCCVEGCSA-N 407.887 1.174 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)c2nccn2C)C1=O 771636005 HQGNBBPTALDFAT-LRTDBIEQSA-N 423.429 1.096 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](OC(=O)[C@H](O)c2ccc(C#N)cc2)C1=O 780208846 FETKOOROORFTGQ-HUUCEWRRSA-N 400.412 1.788 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2OC)N(CCCn2ccnn2)C1=O 784123814 FVCPENJXSQIJDB-OAHLLOKOSA-N 402.480 1.445 30 10 HDEE N#CC1(NC(=O)COC(=O)c2ccc(-n3cc(Br)cn3)nn2)CCC1 784229701 GFXZDGKOGPXMRF-UHFFFAOYSA-N 405.212 1.144 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1-n1nnnc1C(C)C 784702428 KKYSJUMDZQYUFP-QGZVFWFLSA-N 422.493 1.231 30 10 HDEE COc1ccc(COC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1C#N 787000186 VDEVONMOGXBHIJ-IBGZPJMESA-N 401.463 1.323 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3[nH]nc(C(=O)OC)c3c2)n1 788605839 QSNUIZVHLCHYFD-UHFFFAOYSA-N 410.434 1.860 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790639951 PCMYRSHYSJKIQA-KXBFYZLASA-N 415.556 1.872 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)CCC1(F)F 796375266 GHNAZQQSBCQOAW-MXLIYFDZSA-N 418.444 1.786 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 808283426 ZOIAULKOSRPKQA-OAHLLOKOSA-N 413.517 1.371 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2[C@H]3CC[C@H]2[C@H](CO)C3)cc1 810166501 UCKBJOUYTCGTPP-VLNQKBQUSA-N 406.508 1.877 30 10 HDEE O=C(CCSCc1nc(O)c2c3c(sc2n1)CCC3)N[C@@H]1CCN(O)C1=O 820185010 HCRXPTRQHRPZDL-SNVBAGLBSA-N 408.505 1.615 30 10 HDEE CC(C)N(C)Cc1cc(O[C@H]2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2)ccn1 856550637 FNBCUHNALLDLAT-APWZRJJASA-N 409.556 1.711 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nc(C(F)(F)F)n2c1CCCC2 1124723741 AMELTDTVHSUZLT-UHFFFAOYSA-N 409.372 1.922 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c1 1124958906 SEJHENQEKOPLSU-UHFFFAOYSA-N 411.462 1.721 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1128218886 JIBSEKAUUFCFIB-FHLIZLRMSA-N 421.881 1.501 30 10 HDEE CN1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C(C)(C)C 1144026136 XNRYCNKVIXEBHS-ROUUACIJSA-N 411.506 1.952 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1153509733 JCJFPOZMWRPMJI-OAHLLOKOSA-N 407.492 1.519 30 10 HDEE C#CCN(C(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C1CCN(C)CC1 1156647144 QFRWCRRAPVNVSO-NRFANRHFSA-N 409.502 1.518 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1 1158060342 QSKYZPFFXNBMID-AWEZNQCLSA-N 411.480 1.432 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)nc1 1161661798 DPBUHEJIEPGYIZ-UHFFFAOYSA-N 409.471 1.509 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3CCN(c4ccccn4)CC3)C2)nc1 1178460213 FAXRTXUGOVJUCU-HXUWFJFHSA-N 419.533 1.963 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCSc3nc4ccccc4s3)C2)c(=O)nc1O 1180990469 SQPBGIGRDPEQDB-UHFFFAOYSA-N 413.484 1.996 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC2(CC1)C[C@H](O)CNC2=O 1198354420 FKOWHHIBFXUASE-HOTGVXAUSA-N 416.547 1.840 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](CO)Cc2ccc(O)cc2)c(C#N)cn1CC 1206508330 FBCZGOWLMLDTRT-HNNXBMFYSA-N 400.435 1.987 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1253779483 PECJZHMGAHATED-DOTOQJQBSA-N 420.514 1.688 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1nc([C@H](C)OCC)no1 1286348674 NHWRZCUECQSEDI-KBPBESRZSA-N 401.471 1.760 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(O)CCO[C@@H]1C 1286374677 OSZSNCWMBKGCKM-IIBYNOLFSA-N 411.510 1.061 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1286429542 UVLPRDMVLNABSY-SFHVURJKSA-N 414.506 1.906 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1 1286443392 FYNSJARODRQOGU-QGZVFWFLSA-N 410.478 1.214 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286450616 FENYDJGOUKZVCP-IFXJQAMLSA-N 423.539 1.465 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CC(=O)N(C)C)CC1 1286476381 VQHJPBZEPZKMEX-UHFFFAOYSA-N 403.490 1.337 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)cc2)CC1 1286483815 ZNCUNSGLBZBLBP-UHFFFAOYSA-N 412.925 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1286487309 MQJXMUCXKINREM-UHFFFAOYSA-N 404.474 1.307 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCOC[C@H]2CCCO2)CC1 1286491516 VKRWMLIJJHGBBE-GOSISDBHSA-N 403.527 1.392 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286503871 KJHRHKRQURLNAZ-HKUYNNGSSA-N 412.563 1.863 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1286701679 BREOHZVHQIVJTA-GOSISDBHSA-N 418.567 1.996 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1286711334 NCBWAVVWDIQFKK-UZLBHIALSA-N 400.483 1.712 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C(N)=O)CCCC1 1286722557 MCLWRTLBVCMLHC-UHFFFAOYSA-N 421.505 1.860 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1286783533 UTFXMPXZVHSTKV-FQEVSTJZSA-N 416.913 1.863 30 10 HDEE C#CC[C@@]1(C(=O)NCCS(=O)(=O)N2CCCC2)CCCN1C(=O)OC(C)(C)C 1289287408 ASMQRJPTAKJEOC-IBGZPJMESA-N 413.540 1.321 30 10 HDEE C=CCN(C(=O)c1cc(Br)c(OC)cc1N)[C@@H]1CCS(=O)(=O)C1 1291937412 YCBJUZLFCMMUMO-SNVBAGLBSA-N 403.298 1.855 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1296167094 KQMRLJJBTLFUQY-YJNKXOJESA-N 424.498 1.544 30 10 HDEE CN(CC(F)(F)F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298253999 DENNTVQJJSQHIY-GMXMXKFQSA-N 414.388 1.655 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc2n(n1)CCCC2 1299319231 RQSMSHQRZAYRSX-UHFFFAOYSA-N 416.507 1.852 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1300466681 ZYHCLESKXGKYPD-KRWDZBQOSA-N 420.558 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCCC 1300579734 WGPGEZRGKPGZNT-GOSISDBHSA-N 406.490 1.924 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ccc(C(N)=O)cc2)CC1 1300712879 XDEKGDVXVGKUOC-UHFFFAOYSA-N 408.506 1.515 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3ccsc3C#N)CC2)=NO1 1300768824 SCKUCWVUPBTPIR-ZDUSSCGKSA-N 419.507 1.938 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC)C1 1301236793 JWILSRCUVCDCDJ-INIZCTEOSA-N 404.515 1.069 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CC)C1 1301485671 ZXPCZUDNYZOFTJ-INIZCTEOSA-N 400.439 1.771 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C)c1 1301584799 DSMLJCRUVLDGMP-QGZVFWFLSA-N 417.535 1.775 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1301955827 ACUQLXQXROVZCD-AXVVYFOYSA-N 407.515 1.454 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCN(C)C1 1302907028 FDXFIUXHJMZNPC-OAQYLSRUSA-N 411.510 1.078 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)cn4ncnc34)CC2)cn1 1303334440 FURRZHNGWNLQFS-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1 1306014200 GQYCWVLSSYPFAP-UHFFFAOYSA-N 406.460 1.687 30 10 HDEE COCCN(Cc1ccncc1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1307572408 ZXRSOMBUUYMWSG-UHFFFAOYSA-N 406.446 1.499 30 10 HDEE COCCn1cc(Cn2c(C)nnc2N2CCN(c3cc(C#N)ccn3)CC2)cn1 1316110148 CGMMGXYXKOLNIJ-UHFFFAOYSA-N 407.482 1.071 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCCN2CCOCC2)c1 1316530900 LBTWPJKXJIIQOV-UHFFFAOYSA-N 423.521 1.255 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 1329441257 HBTVRSUNYCGXAH-RBUKOAKNSA-N 408.506 1.723 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2nn(C)cc2I)c1 1351038937 OINNVVDHTXTRKR-UHFFFAOYSA-N 408.199 1.375 30 10 HDEE CC(C)COC(=O)N1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1351735036 DXEIBDYMKJOAGQ-UHFFFAOYSA-N 404.471 1.561 30 10 HDEE N#C[C@@]1(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)CCCOC1 1355829420 GWOBMJFOKBORCF-QFIPXVFZSA-N 424.480 1.879 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1359306732 OYPYFRNHVWVBFP-WMZOPIPTSA-N 402.499 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC2(CCOCC2)C1 1359330047 FEAQGDYHHDSNKU-UHFFFAOYSA-N 417.535 1.948 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1359474191 OMKMXEIJKPIRBC-TZMCWYRMSA-N 408.915 1.873 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)c1ccc(F)cc1 1360730882 AIHADWMXHHRCNL-QKLQHJQFSA-N 401.442 1.905 30 10 HDEE CC(=O)N[C@@](C)(C(=O)N1Cc2cccc(C#N)c2C1)c1ccc(S(C)(=O)=O)cc1 1437270213 KSYLUXUZIWYFSP-OAQYLSRUSA-N 411.483 1.855 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2occc2COc2cccc(C#N)c2)C[C@H]1C(=O)OC 1440075117 HOKIQYPLFRATMB-IAGOWNOFSA-N 412.398 1.764 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3cnccc3C#N)CC2)CC(O)C1 1450471629 LQUIFAULJGBHOK-UHFFFAOYSA-N 415.494 1.268 30 10 HDEE Cc1cccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1I 1453840961 HDAYOCMQICPILZ-UHFFFAOYSA-N 424.198 1.164 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1455901660 BWXALTCGHSBKRH-CZUORRHYSA-N 422.507 1.208 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1456613837 OATRIVNMKHBQOT-HNAYVOBHSA-N 400.460 1.064 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1468882891 UPFNWCLCNGXYHA-QGZVFWFLSA-N 400.479 1.613 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@H](CO)c1nncn1C 1470343808 QZMFWRJNUJWTPA-GFCCVEGCSA-N 424.255 1.077 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 1471937199 GOBLOMKBJHHXPO-QGZVFWFLSA-N 403.548 1.935 30 10 HDEE CC(C)C[C@@H]1CN(C)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1472035367 HUBFZKPZUUEGGU-MRXNPFEDSA-N 406.552 1.694 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F 1474862767 CZLIZGMHCBKYLD-JTQLQIEISA-N 415.411 1.655 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)nn1 1475414665 XASIIHUNAZNSMF-UHFFFAOYSA-N 411.553 1.709 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OC 1475689683 XMCHBEJZIWFFKI-SECBINFHSA-N 415.942 1.981 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Nc3ccn(CCN4CCNC4=O)n3)CC2)cc1 1477112526 DRSBWWGNPJNYBW-UHFFFAOYSA-N 408.466 1.134 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2OC)CC1 1478908151 FNEHGAUIYQQLCN-GFCCVEGCSA-N 403.888 1.871 30 10 HDEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)s1 1492764993 UDMYVTPFOUXWSE-GOSISDBHSA-N 418.502 1.749 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCC(C)(C#N)CC1 1503277491 NRZZKWRZPMEUQW-OAHLLOKOSA-N 410.544 1.589 30 10 HDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1505028930 JGRJNXFUFZYJFH-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)C1 1505314682 IMSQKKJVXYGFIZ-YGRLFVJLSA-N 406.409 1.967 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507623769 XADGIFXNMILIIC-OAHLLOKOSA-N 409.556 1.119 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1OCCN(C)C 1507652139 DROQSCMAATXHIB-FQEVSTJZSA-N 407.518 1.844 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1507688944 DDJJEDLGGRSALX-LBPRGKRZSA-N 422.415 1.610 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(C)[C@@H](C)CC)CC1 1507721296 ZWDCGVMDLKJMAD-SIKLNZKXSA-N 418.586 1.416 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2(O)CCOCC2)CC1 1507734353 WBBAUGCEBJWUBV-MRXNPFEDSA-N 403.527 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)SC)CC1 1507737685 BXTIHLMKFFWOAV-RDJZCZTQSA-N 405.568 1.889 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1507872290 CPZASRDEJLLAGL-IBGZPJMESA-N 409.918 1.882 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1507915689 ZZTQBODHBKJQOP-ILXRZTDVSA-N 402.499 1.766 30 10 HDEE C=CCCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1507936799 GYNJMZOOAVQJIR-DYESRHJHSA-N 418.542 1.843 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1507967711 JMXYUKZHJJZJKO-SNVBAGLBSA-N 401.480 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Cl)c(F)c1 1508085909 IMIUDNXNGVBFJD-HNNXBMFYSA-N 420.876 1.960 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1508093156 UJOCTTRWYZUAGC-UHFFFAOYSA-N 416.486 1.725 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccsc3)n2CCNS(C)(=O)=O)C1 1508127297 MAKBSKKDVJLXDD-OAHLLOKOSA-N 411.553 1.261 30 10 HDEE Cc1ccc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cn1 1510927862 QFBMSKSVUIKYPF-RXVVDRJESA-N 412.494 1.799 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1516007297 JATLAQPAVCASLR-UHFFFAOYSA-N 411.510 1.831 30 10 HDEE COCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1519035682 URNZZSNCQWUGRR-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(O)CCC[C@@H]1C 1519431529 WCNRLSICGHYWSG-IEYYFSCXSA-N 407.490 1.995 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1F 1520716574 PKXDIUNOCSCIRK-CJNGLKHVSA-N 407.471 1.568 30 10 HDEE N#CCC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCCO)CC1 1521136822 IZLQXAUOCWRDFK-UHFFFAOYSA-N 413.482 1.454 30 10 HDEE N#CC1(CC(=O)NCCN2C(=O)S/C(=C/c3cccnc3)C2=O)CCOCC1 1532461516 DUKPDYHRFQRWCP-XNTDXEJSSA-N 400.460 1.945 30 10 HDEE CCOC(=O)c1nc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)sc1C 1534484937 FDUNLPXHSVPNNN-UHFFFAOYSA-N 408.461 1.305 30 10 HDEE Cn1cnn(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1536955200 XEVJLOMQDKXWPI-KNVOCYPGSA-N 408.249 1.211 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CN(C(=O)C(C)(C)C)CCO2)cc(OC)c1OC 1537837824 FGYSAFSWUAFUBL-RHSMWYFYSA-N 419.478 1.667 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1538972101 JERWZTGUDHSHAI-LSDHHAIUSA-N 415.523 1.396 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1COCCO1 1539331477 QCCGRPRYXYEIQM-NRFANRHFSA-N 408.502 1.950 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC1CC1 1539423054 QQMRAGXMPYCRSJ-IEBWSBKVSA-N 417.554 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@](C)(O)[C@H](C)CC)CC1 1539490728 ZXJZHLHRENGTSR-RADWXHQJSA-N 417.554 1.893 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](OCCOC)C1 1539578217 YCYWASJAKWUYKT-ZDUSSCGKSA-N 416.320 1.567 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)C[C@H](C)C(=O)NC 1539596872 QIXOCRUMWNRQHV-AAEUAGOBSA-N 400.321 1.899 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C(=O)NC 1539627625 KGRNGLCCEHGYCF-ANQUJSFKSA-N 404.515 1.029 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN(C)CC(F)(F)F)CC1 1539829071 TUJPWUIWYXUUTB-CYBMUJFWSA-N 424.493 1.539 30 10 HDEE N#Cc1cn(CCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)nc1O 1540360158 FLUGMAHTAIWKFA-UHFFFAOYSA-N 421.379 1.578 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2conc2COC)C1 1540882052 APQOLKKWFZTVIU-HNNXBMFYSA-N 404.471 1.380 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CC[C@H](OC)C1 1540901133 UETSZALAGCQTBZ-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCCc1ccc(OCCN2CCN(C(C)=O)CC2)cc1 1542770123 IKRFQSXVTPJBAY-YADHBBJMSA-N 415.534 1.479 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1544240822 RGBIDQVFWJTWGX-UHFFFAOYSA-N 400.460 1.496 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCO 1554164956 CVMUARNRTFQGGB-GOSISDBHSA-N 417.535 1.851 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)cc1 1556381878 LGSBTJZMQDQHKQ-REWPJTCUSA-N 409.486 1.961 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCC(=O)c1cncc(Br)c1 1557913851 QKBIASWNXJMPDU-NXVVXOECSA-N 407.224 1.060 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)CSCC#N)C3)[C@@H]2C1 1558066620 VXOSOTRUWBXEBF-MCIONIFRSA-N 410.496 1.284 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1558329018 JAIFUZRTQWBJOE-RDJZCZTQSA-N 402.882 1.759 30 10 HDEE C#CCN1CCC(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1558422709 HYTWJFCNDHLLTG-UHFFFAOYSA-N 405.458 1.044 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1558505323 FWTPBAJIFXGIRW-UHFFFAOYSA-N 404.488 1.574 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 1562356312 GQSXRLIYVTVYQF-UHFFFAOYSA-N 423.539 1.098 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1584198617 JDTZYZAYLMPCDH-UHFFFAOYSA-N 402.344 1.823 30 10 HDEE COc1ncc(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)cc1C#N 1584826576 PNAQAAYRHIKDRS-UHFFFAOYSA-N 409.464 1.437 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3cc(F)c(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1585139688 ZXRGMSUORWUBMM-BONVTDFDSA-N 401.803 1.327 30 10 HDEE Cn1nc2c(c1C(=O)N1CCC(Nc3ccccc3C#N)CC1)CS(=O)(=O)CC2 1586056058 QBCKITLPQZCMPC-UHFFFAOYSA-N 413.503 1.479 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1587661324 ACUILDPXDJYRGD-MRXNPFEDSA-N 410.526 1.419 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@](C)(O)c2ccccc2)CC1 1588812181 QOEMDHHSSKYLAN-WMZHIEFXSA-N 409.534 1.835 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1594497389 GKSWTPXQSSYETI-JKSUJKDBSA-N 423.583 1.874 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cnc(C(N)=O)s2)C1 1595382691 OVJXJRNXMNHQEH-UHFFFAOYSA-N 406.265 1.951 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(Cn2cncn2)CC1 1595501121 MQQPRVMCOYPBTM-UHFFFAOYSA-N 410.482 1.657 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)/C=C/c2ccc(F)cc2)c1 1618167137 WGHWGAAMBZYBJU-JXMROGBWSA-N 420.462 1.649 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccn3C)nnc2N(C)Cc2ccc(C#N)cc2)C1 1618466517 AHYOEEBDMGEBGC-QFIPXVFZSA-N 405.506 1.858 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)N(C)C1CC1 1620099739 MGGFISFHWRSSRI-MZRZTIOWSA-N 406.506 1.927 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1620346981 LEQBBCGVZAOALW-RVKKMQEKSA-N 411.503 1.439 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC1(C(N)=O)CCCC1 1620358814 FXODIYNRLKOBBD-UHFFFAOYSA-N 413.526 1.576 30 10 HDEE C[C@@]1(CCCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)NC(=O)NC1=O 1624572324 AJMHNVCGQKHGNI-UZLBHIALSA-N 401.442 1.303 30 10 HDEE Cn1cc([C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C2(CO)CCC2)cn1 1624824360 VVUPNIYPULWWLA-UZLBHIALSA-N 407.474 1.665 30 10 HDEE Nc1c(Br)cc(Br)cc1C(=O)N[C@H]1CCCN(O)C1=O 1625082197 BCVZDQGBTSKJBU-VIFPVBQESA-N 407.062 1.904 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1625924906 YPTHUJJERZNVOY-OLZOCXBDSA-N 409.936 1.549 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(CNC(=O)OC(C)(C)C)COC1 1629935764 STISKUKSYFPRFI-AWEZNQCLSA-N 411.499 1.703 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccnc3c2CCN3C(=O)OC(C)(C)C)CC1 1634998475 HGQRCJJGCLKDEP-UHFFFAOYSA-N 412.490 1.981 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2ccc(I)cc2O)CC1 1634999273 ZCQDPKVAEFSNEN-UHFFFAOYSA-N 412.227 1.598 30 10 HDEE CS(=O)(=O)NCCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1636463340 GHMKHSDNYREHQS-BQBZGAKWSA-N 418.306 1.555 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1639319825 ZJMDLUMOMFBDCN-WBVHZDCISA-N 411.462 1.184 30 10 HDEE C#CCn1cc(CNC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)cn1 1640012759 KOOVRYBAGCEWDQ-NMFUWQPSSA-N 408.380 1.118 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccc(F)cc1)c1ncc[nH]1)c1cc[nH]n1 1640583331 SXRBEOVIAFQLMF-MRXNPFEDSA-N 414.397 1.462 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCCN1CCC2(C1)OCCO2)c1ccccc1 1641916694 ADBBTVZZXGBWSX-UHFFFAOYSA-N 400.479 1.278 30 10 HDEE N#Cc1cccc(-c2n[nH]c(NC(=O)c3n[nH]cc3I)n2)c1 1641930590 ZEFPOYQLFPVQCJ-UHFFFAOYSA-N 405.159 1.923 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc2cc(F)ccc12 1643335637 PUJXYMDZCOABGP-NSHDSACASA-N 402.407 1.822 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C)CC1 1643372709 XZVZDDRPBOKDSX-UHFFFAOYSA-N 421.910 1.060 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCN(c3ccc(F)cc3C#N)CC1)C2=O 1643807490 ZTTSJXGGAXODCG-UHFFFAOYSA-N 406.417 1.951 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@](C)(C#N)C1 1647827771 HALVETLKXRGVOR-DNVCBOLYSA-N 406.508 1.270 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](n2ccnn2)CC1 1647874932 SJFNVKVJEGNHTH-HNNXBMFYSA-N 416.507 1.351 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCn2ccc3cc(Cl)ccc32)CC1 1650846501 ZSVOBDFOUWHAID-UHFFFAOYSA-N 408.911 1.297 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@@H](C#N)CCc2ccccc2)cn1 1651776304 YRRDHKULOHEJIE-IEBWSBKVSA-N 400.504 1.881 30 10 HDEE COc1cn(C)nc1[C@@H](C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1652635106 QNMBIIKKVLBONV-GFCCVEGCSA-N 405.480 1.125 30 10 HDEE Cc1onc(CC(=O)N[C@H](CO)c2ccccc2I)c1C#N 1653487736 BVKBTTKCLQGVBL-CQSZACIVSA-N 411.199 1.852 30 10 HDEE Cn1nc(O)c2c1CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)CC2 1659793302 WBQUHPCWHBXBAV-GOSISDBHSA-N 412.469 1.032 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)NCC)CC1)c1ccc(Br)cc1 1674026154 TZDQPDHJEOIBJB-INIZCTEOSA-N 407.312 1.587 30 10 HDEE CN(C)CC#CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1675992879 FYOYIDXWSABETR-KRWDZBQOSA-N 408.543 1.657 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)C1 1676035227 HRZWOBLYAHLGSX-UTKZUKDTSA-N 406.527 1.505 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCOc2c(Cl)cc(Br)cc2C1 1682374727 ZOQVNXLNRJPOQB-UHFFFAOYSA-N 401.648 1.646 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2Cc3ccccc3N(C(=O)C(F)(F)F)C2)nn1 1683315267 MCTVDAWKYVFDSW-ZDUSSCGKSA-N 408.384 1.784 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1684220157 JJSXGCOYWHQZTA-UHFFFAOYSA-N 409.368 1.767 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1C[C@H](C(=O)OC)C2(C1)CN(C(=O)OC(C)(C)C)C2 1684304895 UIBVSNQVSBHZBH-JKSUJKDBSA-N 423.510 1.466 30 10 HDEE N#Cc1ccc(CCNC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1685940517 COUCDICZSRXTGN-VXKWHMMOSA-N 417.513 1.999 30 10 HDEE N#C[C@@]12CN(C(=O)NCCn3ccc4cc(Cl)ccc43)C[C@H]1CS(=O)(=O)C2 1686395757 TVNCRTQEHRTLBD-KSSFIOAISA-N 406.895 1.874 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1689924411 GJMMLQURCNZLMD-UHFFFAOYSA-N 401.478 1.685 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1689969578 YQMGYWJYYWRJCT-SFHVURJKSA-N 417.521 1.834 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)NC(C)C 1689973906 UXBLXIDGKXYIFM-UHFFFAOYSA-N 405.524 1.563 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689986257 LVRJSPMXBYAWRY-NVXWUHKLSA-N 403.508 1.249 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1689990092 LMGPQFNMRGZDGA-ROUUACIJSA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC)C1 1690066247 DDLNYYRJYYLNJP-KRWDZBQOSA-N 405.510 1.722 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1690078994 QACIKXIRXGDOGB-UHFFFAOYSA-N 417.460 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1CC[C@@H]1COCCO1 1690098765 UQGIEQILVSSWGZ-QGZVFWFLSA-N 400.479 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2CCCO[C@H](C)C2)CC1 1690137478 ABXWUPXRWFDYLO-QGZVFWFLSA-N 402.543 1.053 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)OC)CC1 1690437374 ATZWIKNZELVEAS-UHFFFAOYSA-N 404.515 1.891 30 10 HDEE C=CCCOCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCNC(=O)C1 1690500332 RJVLDDYRTPPKGY-UHFFFAOYSA-N 407.478 1.864 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(N)=O)cc1 1690622362 NMWMYFSEWOAZAR-INIZCTEOSA-N 413.482 1.407 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cnn(CCOC)c2)C1 1690693487 BNYMSYKKQQIQMI-SFHVURJKSA-N 412.498 1.351 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1691512439 DWFSPIVARKXZNI-JOCHJYFZSA-N 424.505 1.585 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1692661594 FCXVQVFYJCALHM-HOCLYGCPSA-N 418.523 1.410 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@H]2CCCO2)C1 1698484867 WMPMWEVKFHRYGE-DNVCBOLYSA-N 401.446 1.763 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCOC[C@@H]2CCCO2)C1 1698484868 WMPMWEVKFHRYGE-HNAYVOBHSA-N 401.446 1.763 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1N1CCOCC1 1705475205 KAVYXUJXUADHFF-QGZVFWFLSA-N 410.522 1.759 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1705523198 SXVBPPAZHQOVAD-UHFFFAOYSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705563984 IVWZWYDLDLCKGP-WIYYLYMNSA-N 414.531 1.733 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1705612342 FFHDRUJPESCNMC-AWEZNQCLSA-N 421.548 1.131 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1705613346 YQKXLRSSKDHETG-MRXNPFEDSA-N 409.556 1.507 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCN(C)C1 1705622641 OATDCUBWDOVUMA-FQEVSTJZSA-N 403.914 1.751 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1705754864 HETVPCZSDFHGEH-HZPDHXFCSA-N 410.950 1.571 30 10 HDEE CCC(CC)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1708691171 BHYHPXPOLMPXPC-MSOLQXFVSA-N 400.531 1.774 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1709464525 GLOGSXGFAOLHIE-AEFFLSMTSA-N 411.510 1.545 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1710198770 LQTXKXCXUOETLO-MRXNPFEDSA-N 408.466 1.614 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1710467457 NGMRNDSPMTWGGI-KJNZLNQQSA-N 419.526 1.600 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1722365964 GORPWHZRGQOIIW-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722371406 ISJQBPSDJJSDFR-KRWDZBQOSA-N 416.551 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cccc(C)c2)n1C[C@H](C)N1CCOCC1 1722387443 VZKMENBGUYRUTO-FQEVSTJZSA-N 407.518 1.959 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(CS(C)(=O)=O)CC1 1722416963 SKMVWFNRXUWXCV-UHFFFAOYSA-N 404.540 1.424 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC2(O)CC(OCC)C2)CC1 1722435331 KTORGRDMBQPULK-UHFFFAOYSA-N 409.534 1.939 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@](C)(O)CC)CC1 1722442004 QSDCYUWNFBCWMA-QFIPXVFZSA-N 413.522 1.782 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(C)CCOC)CC1 1722564729 DUZRIUXBOXCOJB-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(N2CCN(C(C)C)CC2)CC1 1722696851 FSDGDTQFJYCLBU-UHFFFAOYSA-N 415.586 1.453 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(O)c2)C1 1722711641 WCKXAZRCUVMRGY-PBHICJAKSA-N 421.523 1.424 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1 1722999175 KJCZFFCFQVLRNO-GJZGRUSLSA-N 406.487 1.426 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730486968 FDUXQHGXMGJWMM-XJKSGUPXSA-N 416.457 1.692 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCCNC(C)=O)c1 1740562624 MCDFYYWRQBLMTA-UHFFFAOYSA-N 419.489 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@](C)(O)c1ccc(F)cc1 1740683912 RDFDSHOBFMXDLC-NRFANRHFSA-N 410.453 1.868 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NC(C)C)CC1 1740701976 GPZAKMJNZQIJIC-UHFFFAOYSA-N 402.543 1.456 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCC(=O)N2CCCCCC2)CC1 1740703417 RQZBBMFASYOJLD-UHFFFAOYSA-N 400.527 1.345 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1741005154 SYIGKDZCURILAT-OXJNMPFZSA-N 421.567 1.660 30 10 HDEE CCN1CCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1746407885 CYFDMPNPIYMLBZ-RBUKOAKNSA-N 423.521 1.252 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1748054842 BXORRCVXWMZZSG-PMPSAXMXSA-N 401.515 1.078 30 10 HDEE CO[C@](C)(Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C1CC1 1748374396 TWKQAQULSVSBCH-WMQCIHAUSA-N 419.526 1.863 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748750989 SKNHVCJMASFLHV-SFHVURJKSA-N 402.543 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1748834355 KKHVJKOJAPJREU-IBGZPJMESA-N 422.533 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCNC(=O)c1cc[nH]n1 1748836143 QVBQORHOLGAAEA-UHFFFAOYSA-N 403.446 1.180 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1748882317 OGZMSZKBBBIWAT-RBUKOAKNSA-N 424.501 1.965 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748950319 LVIJQKKAVREZOU-QZWWFDLISA-N 409.556 1.411 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC2=CCCCC2)CC1 1748979026 VOZHPQIRIFYPOW-QGZVFWFLSA-N 420.583 1.534 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)CC)CC1 1748984321 JNWIJRHRDHABTF-MUUNZHRXSA-N 401.536 1.478 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2cccc(C)c2)CC1 1748986926 MKEYMZQNPXELJX-UHFFFAOYSA-N 405.506 1.821 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749026799 QHAAKSNHHPUUDW-MRXNPFEDSA-N 420.560 1.943 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(C)CN(C)C1=O 1749598241 UHQZCWSAKFWUBH-HXUWFJFHSA-N 416.482 1.123 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1749766709 ORJSAFOAQAWDCC-JYJNAYRXSA-N 409.556 1.588 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cs1 1751765674 FEPTZUOGFFTSFX-LBPRGKRZSA-N 411.557 1.264 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CCCc1cnn(C)n1 1760204110 CVQVXBNEDWISDP-UHFFFAOYSA-N 403.490 1.712 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1760205945 NPNSYCQHXGOESQ-APWZRJJASA-N 412.515 1.355 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CC1(C(N)=O)CCOCC1 1760237892 ZLHBSGJIJVYHOJ-UHFFFAOYSA-N 411.506 1.907 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1760243105 CAGSGXCPLPIZOO-UHFFFAOYSA-N 422.468 1.356 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(Cc2cc(C)no2)CC1 1760514970 PXDMXBYCAKYUIO-WMZOPIPTSA-N 402.499 1.807 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1761258299 OQRGXPNOYHXBDU-CVEARBPZSA-N 410.434 1.455 30 10 HDEE CO[C@@](C)(Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C1CC1 1767986979 HYRPVGXMTBJTKF-KUHUBIRLSA-N 424.571 1.833 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1769735971 MZMGAXNWDWMDEE-MJGOQNOKSA-N 424.505 1.728 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCO[C@@H]1C 1770189201 DWCWQMVLFSTVIC-NKMKZGIRSA-N 419.526 1.672 30 10 HDEE NC(=O)C[C@H](NC(=O)c1ccccc1Cl)C(=O)ON1C(=O)c2ccccc2C1=O 1772790944 YUGCXYITHXAYDT-AWEZNQCLSA-N 415.789 1.068 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1 1850014949 VYWBZQZVKYWFSZ-SFHVURJKSA-N 411.955 1.955 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)CC1 1850086430 SRHRYIKRWSGYJV-KRWDZBQOSA-N 408.499 1.331 30 10 HDEE O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCC#CCN1CCc2ccccc2C1 1850303725 BXOBAERLTUHOFA-UHFFFAOYSA-N 423.494 1.009 30 10 HDEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2ccnc(C#N)c2)CC1 1850674110 ZKXKTJVPYMYAAW-UHFFFAOYSA-N 403.446 1.501 30 10 HDEE CC1(C)CC(=O)C2(C(=O)C1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1ON2CC1(C#N)CC1 1851452749 QFTRRBPQTYOQSO-ZWKOTPCHSA-N 421.453 1.793 30 10 HDEE C[C@H]1Oc2ccccc2O[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851725373 ODHSZNBQXQAQDI-IERDGZPVSA-N 408.458 1.847 30 10 HDEE CCN1CCN(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])CC1 1851830423 NDZQENZMGWPGCZ-SFHVURJKSA-N 400.483 1.189 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(C2CCN(C)CC2)C1 1852494806 DJZHFLCEGIDQJQ-UONOGXRCSA-N 418.929 1.564 30 10 HDEE N#C[C@H]1CN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)CCO1 1852748798 MAXMYYBURNOUGU-HNNXBMFYSA-N 420.878 1.681 30 10 HDEE C=CCC1(S(=O)(=O)N(CCCn2ncccc2=O)Cc2cnn(C)c2C)CC1 1853553694 LVWAZNJGDCVMBY-UHFFFAOYSA-N 405.524 1.616 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cnn3c2CCCC3)C1=O 1854098257 GVKLNVSHORUKNG-OALUTQOASA-N 413.522 1.459 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2cccnc2)C1=O 1854262804 MVHMWFUYVRHCFY-QZTJIDSGSA-N 400.479 1.087 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCCC2)C1=O 1854418580 HZTAUYBMTFGMQL-HNNXBMFYSA-N 401.504 1.988 30 10 HDEE CC(C)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1=O 1854455582 VRZYETWMIKWWPH-QGZVFWFLSA-N 402.882 1.700 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1C(F)(F)F 1854472114 RBIWTDOSOXVWMJ-UHFFFAOYSA-N 403.382 1.757 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(Cl)c(Cl)c2)CCN1S(=O)(=O)CC#N 1854783771 MBMNZAZOAIQCAN-LLVKDONJSA-N 418.302 1.839 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)[C@H]3CCCOC3)C2=O)CC1 1854862944 YXFWFFXZXDKYAP-OALUTQOASA-N 412.490 1.598 30 10 HDEE COCCOc1cncc(C(=O)N2CCN(Cc3ccc(C#N)cc3)[C@@H](C)C2=O)c1 1855638619 CNORXBKQHBDHJD-INIZCTEOSA-N 408.458 1.852 30 10 HDEE CCN(CC)c1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1 1856152448 FSQKJTOLVRAAQH-UHFFFAOYSA-N 406.508 1.449 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CC[C@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856518799 OZTFPAGZADKIPN-YOEHRIQHSA-N 405.462 1.244 30 10 HDEE Cc1ccc(C)c(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c1 1856679717 LIDQPZUFLBVMQW-GOSISDBHSA-N 419.503 1.759 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccncc4)nn3C)C(=O)C2)C1 1856843525 GOSXYMRDHDHCGL-SFHVURJKSA-N 408.506 1.417 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCCN([C@H]4CCOC4)CC3)CC2=O)cc1C#N 1856940018 CMOINLWVSINMIQ-NQIIRXRSSA-N 410.518 1.652 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@@H]4CCOC4)C3)CC2)c1 1856954699 XQUTXTWLTMBODE-RBUKOAKNSA-N 412.490 1.456 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)c2cccc(OCc3ccccc3)c2)CO1 1857024322 FGLKRKWOEUHSQH-GOSISDBHSA-N 402.428 1.892 30 10 HDEE C=C(C)CN1c2ccccc2N(C(=O)CN(CCOC)S(C)(=O)=O)C(=O)C[C@H]1C 1857475013 PWMBVYITCFWXBM-MRXNPFEDSA-N 423.535 1.629 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)c1 1858319780 GFHISJBJFUURNX-MRXNPFEDSA-N 415.471 1.768 30 10 HDEE N#Cc1ccc(Cn2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1870097583 NPIPGCJVMOYSJW-UHFFFAOYSA-N 409.387 1.779 30 10 HDEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870143769 AYZMIJZZOQNRMR-UHFFFAOYSA-N 412.369 1.250 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCCC3)cc2)[nH]c(N2CCC(C(N)=O)CC2)n1 1871676194 NGEUJKDYYJPQLY-UHFFFAOYSA-N 422.537 1.937 30 10 HDEE COc1ccc(-c2nc([C@H](C#N)C(=O)CN(CCO)CCO)sc2C)c(OC)c1 1872799949 NREHSBUSQBYCPY-MRXNPFEDSA-N 419.503 1.599 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2cc(OC)cc(OC)c2)CC1=O 1872972359 SYNBBTOTDZFSAN-YCRPNKLZSA-N 410.474 1.936 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N[C@H]2CC(=O)N(C)C2)[C@@H]1c1ccc(C#N)cc1 1889218409 BZHXMESZCAPBHE-SNRMKQJTSA-N 400.504 1.299 30 10 HDEE COc1ccccc1OCC#CCNC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1891262564 SURFATDTNKTGEP-UHFFFAOYSA-N 422.437 1.695 30 10 HDEE C=C(CNC(=O)[C@H]1C[C@H](O)CN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1897267345 ZSNPOUTVLSBWMM-GJZGRUSLSA-N 410.320 1.908 30 10 HDEE C#CCN(C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 2169176304 JDVNVYLVTSNXEM-IRXDYDNUSA-N 400.541 1.117 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC(F)(F)C1 2174780929 ZXLFNCXUZHSNOZ-CYBMUJFWSA-N 408.471 1.655 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243395156 RQJFRUIUNXXGLZ-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243406021 QTGMBONQLIMORF-GXTWGEPZSA-N 405.304 1.957 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2247844791 HXTYZTMNHCKXHU-UONOGXRCSA-N 421.278 1.915 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](C(=O)NCCC#CBr)O[C@H]2C1 2250002282 JDWQVVRPXIJQSR-RWMBFGLXSA-N 403.273 1.252 30 10 HDEE C=CC1CC(N(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258165601 JKUHHMCPIMWDDX-BDVYOWHSSA-N 410.492 1.681 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267366371 FMUNJNQYCFULOM-CCGUKBGLSA-N 408.376 1.181 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CS1 2267411081 SYMFAOTVWAXPNV-WDEREUQCSA-N 404.388 1.756 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2282029505 SVBIQEZRCRYGFS-NWDGAFQWSA-N 400.331 1.138 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2282304501 LECISGIGDIWRLD-HNNXBMFYSA-N 423.340 1.678 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282330423 ZMMYKKJIDCIBOQ-UHFFFAOYSA-N 405.347 1.331 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(F)C[C@@H]3CO)s2)OC1(C)C 2282335261 NDUUSXADUADJIA-SNVBAGLBSA-N 409.285 1.438 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](N)C2CC2)c1B1OC(C)(C)C(C)(C)O1 2282502835 QLKCKJQYJAEYCC-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CO)C2CCC2)OC1(C)C 2282503911 HMUBHUSAYUWNOK-AWEZNQCLSA-N 401.359 1.628 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@H]2CN)OC1(C)C 2282505573 GDTRUHIEHNBQRA-JSGCOSHPSA-N 400.375 1.594 30 10 HDEE C[C@H](C[S@@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282511210 KTSQMIBYBHPKBL-SSINHNECSA-N 421.777 1.685 30 10 HDEE CC1([C@H]2CCCN(C(=O)c3cncc(B4OC(C)(C)C(C)(C)O4)c3)C2)OCCO1 2282669711 APHRPLLCYNQSJW-INIZCTEOSA-N 402.300 1.996 30 10 HDEE Cc1cc(C(=O)N(C)CCCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282682832 UWOUGOCQWGBWOY-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE COC(=O)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282835391 UFPBVPYZSFKCKY-UHFFFAOYSA-N 403.693 1.433 30 10 HDEE CCN[C@@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282845491 UMQDLVVJNMOELB-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE C[C@@H]1CCC[C@@H](CN)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851636 FAWKEZFSAXPKPA-OLZOCXBDSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)OC1(C)C 2284392709 ANGXFASCVYAQIO-LLVKDONJSA-N 401.315 1.533 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(C(=O)O)C[C@H]1C 2284413679 AUEKRGUSMSAQSW-ABKXIKBNSA-N 401.315 1.497 30 10 HDEE C[C@@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284414806 KABXMQROSTYBCT-PWSUYJOCSA-N 401.315 1.531 30 10 HDEE C[C@H](O)CN(C1CCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2288010361 LRTGPFCAAVWCQK-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1 2300231209 UPNJAUJQGLKHSR-JOCQHMNTSA-N 420.319 1.505 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@@](NCCC#CBr)(C(=O)O)CO2 2324756345 YNMMPCUNBOBQQJ-SJORKVTESA-N 417.300 1.945 30 10 HDEE CN[C@@H](C#CC1(OC)CCOCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2338485011 CMVSPRIEEDFNHI-LVIWNVNYSA-N 402.491 1.593 30 10 HDEE CCc1csc(C#C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2338637884 MFXPVHPWDIXKDG-HIFRSBDPSA-N 400.522 1.356 30 10 HDEE C=C[C@@]1(CO)COCCN1[C@@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2346455296 AQQYXWDDVGOLFB-RTWAWAEBSA-N 404.463 1.492 30 10 HDEE CC#CCN1CCN(C(=O)c2c(Br)c(Br)nn2C)CC1 2364017320 JJUZYZDPQZXDQF-UHFFFAOYSA-N 404.106 1.726 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365176599 RFAPDIGHSWOEAC-QKPAOTATSA-N 401.525 1.588 30 10 HDEE CC(C)(C#C[C@H](N)[C@H](O)c1ccc(I)cc1)S(C)(=O)=O 2365211380 NQLKVEQZHWZSED-QWHCGFSZSA-N 407.273 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365213882 YRWRFBPWDZYGLP-HNAYVOBHSA-N 402.557 1.683 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2365214274 YXKMQPUTKHDJCY-ZRGWGRIASA-N 402.557 1.721 30 10 HDEE C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367786248 VAFWHZOWCYGPPM-KFWWJZLASA-N 402.557 1.991 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 2367812326 RUKVOOGIYHOFOP-HOTGVXAUSA-N 402.557 1.553 30 10 HDEE CCn1ncc(I)c1NS(=O)(=O)c1ccc(C#N)nc1 2382019238 BOMGSFRRNFSZQE-UHFFFAOYSA-N 403.205 1.575 30 10 HDEE O=C(C[C@H]1S/C(=N\c2ncccn2)NC1=O)Nc1ccc(N2CCOCC2)cc1 72435402 RQYCEYVFNUFNBL-OAHLLOKOSA-N 412.475 1.561 30 10 HDEE O=C1C(=NNS(=O)(=O)c2ccc(Br)cc2)c2ccccc2N1CO 254711776 SYXIYIGUJPZMAG-UHFFFAOYSA-N 410.249 1.428 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1 434382735 HFXMAKUCECYWPA-ZFWWWQNUSA-N 406.426 1.926 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1C#N 438958972 WHYPJQABLWWMGO-QHSBEEBCSA-N 412.851 1.325 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)NCCOc2ccc(C#N)cc2)C1 440030448 SWCGRMSDQHGVSD-KRWDZBQOSA-N 416.478 1.380 30 10 HDEE COc1ccc(C(=O)NCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1OC 461757784 STQGNWCXSJZFIY-UHFFFAOYSA-N 406.402 1.525 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2C)CC1 463706423 RYMWKWXSEDLNPD-UHFFFAOYSA-N 413.499 1.951 30 10 HDEE COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCC3CCC(C#N)CC3)c2)nn1 463771960 YFQPJKAYKMRDKX-UHFFFAOYSA-N 410.434 1.439 30 10 HDEE CO[C@@]1(C)C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 466678193 SAWDADBELZGVRI-PXNSSMCTSA-N 420.535 1.778 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCN(Cc3nccn3C(F)F)CC2)c(F)c1 467138945 YFZYHSDJNDUMRQ-UHFFFAOYSA-N 417.388 1.935 30 10 HDEE Cc1c(Br)cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c(=O)n1C 469787824 RPFVNXZPWMDTRQ-UHFFFAOYSA-N 416.279 1.685 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C)c2=O)nc1 474329642 NOWANNQHKHPVEX-UHFFFAOYSA-N 416.506 1.693 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CCN(C2CCOCC2)C1=O 474761996 GHZTWPIRKFTAIP-SFHVURJKSA-N 410.478 1.047 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CC(N4CCCCC4)C3)C2=O)cc1 477942546 FPANPIQVBPICCM-NKELODKYSA-N 409.490 1.896 30 10 HDEE CN1CCN(C(=O)CC2CCN(CCS(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 478040629 NBNYRVNIYXLSBH-UHFFFAOYSA-N 418.563 1.208 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 482836992 OQPXXUMANGBITR-ZFWWWQNUSA-N 407.492 1.415 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)ccc1Cl 488640476 BBXYDRPVGNPLDL-UHFFFAOYSA-N 424.954 1.967 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 508497601 MIWVCKFRTOVVGF-ZIAGYGMSSA-N 401.558 1.129 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N(CC(=O)N3CCCC3)C[C@H]3CCCO3)cc2)c1N 524795150 SGWRDVGCZLKESD-LJQANCHMSA-N 422.489 1.570 30 10 HDEE N#Cc1cccc(CC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)c1 530911421 YIPBFMGCXYHULA-UHFFFAOYSA-N 409.471 1.510 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 537497030 IFKPRKWIMFFUCJ-CYBMUJFWSA-N 417.462 1.958 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)NCc1ccc(-c2ccccc2C#N)cc1 537996119 UFBMJAFEOXNFAH-UHFFFAOYSA-N 401.488 1.797 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 548970655 HXEJFKIOWKLVEB-UHFFFAOYSA-N 406.508 1.634 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3C[C@@H]4CC[C@H](C3)N4CC(=O)N(C)C)cc2C1=O 557134445 ATVFWXKBFQFJMZ-ALOPSCKCSA-N 424.501 1.282 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 573168847 IWBDXYZPKKKPNB-LSDHHAIUSA-N 421.505 1.951 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 577630285 RRXLLVCODINJKU-UHFFFAOYSA-N 403.913 1.400 30 10 HDEE COCCN(Cc1nc(C#N)cs1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 580864627 BWYZAIPUFRYSBY-UHFFFAOYSA-N 412.475 1.561 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4ccc(C#N)cn4)CC3)n2)n1 585587076 KSHZHNZQJCZPHV-UHFFFAOYSA-N 404.478 1.135 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)NCC(C)(C)C)cc2)CC1 607621448 AXMDICGDKVPOER-UHFFFAOYSA-N 400.523 1.523 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)CC1 610059559 OQVXGJRQRRFXFH-UHFFFAOYSA-N 411.256 1.417 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 619834879 HYZBRUVTVCNHCD-MAUKXSAKSA-N 408.528 1.317 30 10 HDEE C=CCOCCNS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 679478118 XKMKJPSNMUTYMN-UHFFFAOYSA-N 402.538 1.651 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C#N)sc(=Cc3cnn(-c4ccccc4)n3)c2=O)c1 726580344 NGABRXPACXSNJP-UHFFFAOYSA-N 420.457 1.488 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 731760936 IYNPIUQQISLULA-UHFFFAOYSA-N 424.523 1.801 30 10 HDEE CCCNC(=O)CSc1nn(CN2CCN(C3CC3)[C@@H](C#N)C2)c(=S)s1 732673012 RZLYPRVSNHZELV-ZDUSSCGKSA-N 412.610 1.922 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)CCN1C1CC1 732708453 PBUUIEHFUCTTCA-FQEVSTJZSA-N 423.517 1.840 30 10 HDEE CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)ccc21 737198251 MHBMUUQALHJMOU-SFHVURJKSA-N 423.473 1.342 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(CN2C(=O)CNC2=O)cc1)c1ccc(C#N)cc1 740201529 WJPCJIFBFYTTAJ-GOSISDBHSA-N 407.382 1.681 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCCCN(C)C)SC1=Nc1ccc(OC)nc1 741448472 AICAHXPFFJOIFG-INIZCTEOSA-N 417.535 1.503 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 755212779 GLFAUFLZNRPBMH-DLBZAZTESA-N 421.542 1.194 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C)cn2)c1=O 758083203 KFNUDIIFDJRMNH-UHFFFAOYSA-N 415.474 1.641 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C[C@H]3CCCO3)c2=O)c(C)o1 767953658 USFVRAKXZQJYJF-MRXNPFEDSA-N 415.515 1.326 30 10 HDEE Cn1ncc(NC(=O)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1C1CC1 770772889 BVJXPFWCEAKCPM-TZMCWYRMSA-N 402.455 1.111 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)[C@@H]1CCCO1 773057518 OXVZQLYFTCVUBX-YPMHNXCESA-N 424.447 1.119 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H](O)c1ccc(C#N)cc1 780904202 OCMJTTCIDADCBQ-GOSISDBHSA-N 416.478 1.129 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4N3c3ncccn3)nc12 784727498 GUTASOKUGJRETF-XKQJLSEDSA-N 419.445 1.977 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC(C)(C)N2C[C@H](C)O[C@H](C)C2)cc1C#N 785866385 RDZFACDCDSACQH-GASCZTMLSA-N 402.495 1.187 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(N3CCOCC3)cc2)n1 789322426 ILRVUZOISJPIOY-UHFFFAOYSA-N 411.506 1.440 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccsc3)c2=O)cc2c1OCCO2 790428641 ZIBBPCDKTYHVOY-UHFFFAOYSA-N 423.475 1.767 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 791029635 JCICFAJLHCJUSH-UHFFFAOYSA-N 417.466 1.305 30 10 HDEE C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)n1cnc(C#N)n1 798398362 UVCNTNPYUDJZER-GFCCVEGCSA-N 408.384 1.883 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnc(S(C)(=O)=O)s3)cc2C1=O 803215724 CABGAKIGLWOPKT-UHFFFAOYSA-N 407.429 1.081 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ncc(Br)cn2)cc1 814349268 DHLAKKHAYQEGQQ-NSHDSACASA-N 423.292 1.642 30 10 HDEE Cn1ncc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)c1I 816119367 ZQZACDPOLWBJLL-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCN(O)C2=O)cc(S(=O)(=O)N2CCC(C)CC2)c1C 816693079 BOKMGRHTAOCUBY-MRXNPFEDSA-N 409.508 1.444 30 10 HDEE COc1ccc(CNC(=O)[C@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 917036238 JDFBFUHTIXIBCJ-GOSISDBHSA-N 404.426 1.510 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)NCc3ccco3)n2N)cn1 1083983450 YQHGNYHLYYNDDL-UHFFFAOYSA-N 417.499 1.607 30 10 HDEE CC(C)(C)OC(=O)CC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCOCC1 1124650194 GWHFUIMPUDFTLB-UHFFFAOYSA-N 419.482 1.585 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1128015404 GUDLEZJKBDBSLP-OWLYRPNTSA-N 401.488 1.526 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1133585469 DLNRCDMTHDMBTN-VQTJNVASSA-N 404.470 1.553 30 10 HDEE O=C(Cc1ccc(Br)c([N+](=O)[O-])c1)NCCN/C(O)=C1\N=CC=CC1=O 1136671628 NOWCLEJISXNPNZ-FOCLMDBBSA-N 423.223 1.542 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)c1 1137649033 MTCPUHFLFQOSAE-ZDUSSCGKSA-N 421.372 1.406 30 10 HDEE COCCn1cc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1138753841 DWSDODYNVXZKGT-UHFFFAOYSA-N 418.295 1.916 30 10 HDEE CN(C)[C@]1(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COc2ccccc2C1 1139811096 DDMBEPAAWSVZRB-YKSBVNFPSA-N 418.497 1.711 30 10 HDEE Cc1onc(CC(=O)N(C)CCN(C)CCN2C(=O)c3ccccc3C2=O)c1C#N 1141657211 GNLRQKCKKOWLKY-UHFFFAOYSA-N 409.446 1.084 30 10 HDEE CN(C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1155677685 QHDKQGYSEIFIJU-AWEZNQCLSA-N 405.455 1.069 30 10 HDEE C#CC1(O)CN(CC(=O)NCCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)C1 1176793046 NATSBRJVNHGUDB-OQLLNIDSSA-N 419.890 1.172 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(C)(C)C 1196766720 NOLJAKIKLMGIJF-QGZVFWFLSA-N 409.508 1.886 30 10 HDEE C=CCN(C(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1206852160 YUXNJUQEBILALQ-BEFAXECRSA-N 420.491 1.290 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)c(=O)nc1O 1219267014 FIRAFJYBHPXRJS-UHFFFAOYSA-N 405.724 1.054 30 10 HDEE N#Cc1cc(NC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c(F)cc1F 1219883071 DDSYXIXKXOBOMM-UHFFFAOYSA-N 421.429 1.838 30 10 HDEE CC[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(OC)c(OC)c1 1228082567 SUVHNCDSXZDCPV-HNNXBMFYSA-N 413.434 1.555 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1229032112 QCISHAYRYWUPNC-GJZGRUSLSA-N 401.529 1.512 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC4(C3)CC4(F)F)CC2)cc1 1252795378 MHAJQMVRCQJVRW-UHFFFAOYSA-N 410.446 1.762 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1286396347 PJWXVQKOXKTIRK-YQVWRLOYSA-N 424.567 1.502 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H](C1CC1)N(C)C 1286462680 QWSIAVKJLVQQLH-QGZVFWFLSA-N 414.510 1.432 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nnc(C)s2)CC1 1286481913 KGOZCNTXDWNIGV-UHFFFAOYSA-N 423.546 1.841 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1286483349 HWSKNSHSGNZVEC-HXUWFJFHSA-N 420.561 1.733 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](N2CCCC2=O)C1 1286568827 YNJZTDVZEQROQT-ZWOKBUDYSA-N 403.527 1.997 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCSC1 1286727536 SRKNAGKJIIIUPT-LSDHHAIUSA-N 415.585 1.376 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1286754176 RKWPGJCZVKTQBK-ZZEZOPTASA-N 407.478 1.988 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286769211 XPQDJCRZSJMRLX-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccnc1S[C@H](C)C(=O)N1CCCC1 1287988802 LWWFFNDYHVLYCW-CQSZACIVSA-N 404.492 1.713 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCSCCCO 1290977535 BCPTYVPJSOJWSJ-OAHLLOKOSA-N 414.535 1.599 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)CCS(=O)(=O)N(C)C)n1 1292624870 IPMLKRFRIFQCIB-UHFFFAOYSA-N 416.554 1.020 30 10 HDEE Cn1cc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)cn1 1298828188 MOZJWJUQCPIUSL-UHFFFAOYSA-N 405.510 1.951 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCN(C(N)=O)C3)C2)C1 1298837878 PGDBPLGLMLANAN-ANZKDXPISA-N 419.526 1.680 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1300448660 BKOLDIUMGYFION-AWEZNQCLSA-N 402.476 1.220 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCn1c(O)nc2ccccc21 1300479324 LNJYKBGYLJXYDU-YJBOKZPZSA-N 410.478 1.827 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300505587 DEQZZAZFESYFLZ-OKZBNKHCSA-N 421.567 1.097 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1300630300 AJLKHJUCTWZQGF-SFHVURJKSA-N 421.567 1.961 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1300732444 NEVHWUIUEJJBRN-KXBFYZLASA-N 407.540 1.167 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300762466 QCGNIALZOAXZCX-SFHVURJKSA-N 417.579 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CC(=O)NCC(F)(F)F 1300809365 ZAVBIFGZHCHPHC-GOSISDBHSA-N 406.412 1.935 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1301054693 VCFJLLYHYICLAS-HZPDHXFCSA-N 407.471 1.425 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301478049 GZLVJJNVJCIVIP-ROUUACIJSA-N 404.559 1.642 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1310041393 GORIAZLVKPJIEU-CALCHBBNSA-N 423.535 1.988 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)n1 1313050788 FFQMYGIYTBNTID-LJQANCHMSA-N 416.503 1.344 30 10 HDEE COC(=O)c1cn([C@H]2CCCN(C(=O)c3cc(C#N)c(SC)nc3O)C2)nn1 1323929314 HDLSSZGDTCFGNK-NSHDSACASA-N 402.436 1.236 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@H]1CS(=O)(=O)CC(=O)N1)c1ccc(C(F)(F)F)cc1 1357299106 ZASDRVKFDQNWQV-KGLIPLIRSA-N 404.410 1.742 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2cncn2)nc1 1358874296 VORVYMDDBIHEKI-HRAATJIYSA-N 422.493 1.412 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1c(F)cccc1F)N(C)C 1358947056 QEWPVZVKVJVCBV-CVEARBPZSA-N 402.449 1.880 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC=C)cc1)[C@@H]1CCS(=O)(=O)C1 1358957268 RXKYOOWUPCURCS-GOSISDBHSA-N 400.504 1.826 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1358982888 NSGLTXYCTMWYKJ-FQEVSTJZSA-N 400.866 1.735 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)CCC1CC1 1359150774 GKMMYSDPHGGXPL-HNNXBMFYSA-N 417.963 1.990 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359151308 QYDREVSMXQNZQG-ZDUSSCGKSA-N 408.890 1.445 30 10 HDEE C=CCn1c(N2CCC(NC(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290401 ZNUQDCMVSBHDCQ-OAQYLSRUSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCCC)CC1 1359297880 GBCZCPWYZJXCBR-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359297886 GEERPHYVMYNUFC-NRFANRHFSA-N 422.493 1.128 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCn3ccnc3C2)C1 1359312569 XDNDENLVMKFOKX-SJORKVTESA-N 413.526 1.657 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1Cc1nnn(C)n1 1359868002 GXRNVJDHOXIAOK-QGZVFWFLSA-N 407.482 1.498 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)o1 1361208982 ITHVLKIATWAMCX-OAHLLOKOSA-N 401.448 1.983 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 1440735944 CUFHXNKVKKPWMG-IBGZPJMESA-N 416.522 1.868 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1441453697 WXWRCAGLXKPHFQ-QWHCGFSZSA-N 424.951 1.054 30 10 HDEE C=C(Br)CNC(=O)[C@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1442589882 FJWLJOZQLIBCOK-GFCCVEGCSA-N 404.305 1.775 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CC1 1445682914 BSSHVPIWWMQHOF-AWEZNQCLSA-N 406.236 1.115 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCCN1S(C)(=O)=O 1446330730 JKHQWEGIHAIBMH-OLZOCXBDSA-N 409.936 1.563 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1454242754 BNLVBGWDUXLSND-LJQANCHMSA-N 402.462 1.469 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1454683574 ZQQGBZAIQRJGBE-JOCHJYFZSA-N 408.458 1.913 30 10 HDEE COC(=O)CC[C@H]1CCCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1455397030 ALQGDXNBYMJIPA-CQSZACIVSA-N 407.492 1.307 30 10 HDEE CC1(C(=O)N2CC[C@@H](CS(N)(=O)=O)C2)CCN(c2ccc(Cl)cc2C#N)CC1 1456613763 FAZXHZYEYHTKOY-CQSZACIVSA-N 424.954 1.955 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 1466126019 GWWQKVFGNFOVQV-MRUHUIDDSA-N 409.527 1.678 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 1468970563 CQYAGVGIQDDPCY-SFHVURJKSA-N 401.492 1.247 30 10 HDEE COC(=O)c1coc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1470684969 HLOCAUCDQUYXTF-NSHDSACASA-N 405.432 1.200 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(N)c1 1471226947 OSXLHCOMMJKHOF-UHFFFAOYSA-N 402.451 1.645 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1473116041 DVIWRANHPIYJQJ-DLBZAZTESA-N 409.527 1.895 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1493804334 DWOQEJGZHPUIPR-IXDOHACOSA-N 408.572 1.650 30 10 HDEE C=CCC1(C(=O)N(C)CCN2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCC1 1497857308 JDRQIYMLTCOHBN-RMMWZPCPSA-N 401.551 1.759 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC2CCOCC2)C1 1505312804 UCCQTUNFYJAHMQ-FQEVSTJZSA-N 420.489 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCNS(C)(=O)=O 1507527593 KBQQORNBGKMDNM-GFCCVEGCSA-N 411.915 1.614 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1507536131 ATNBSWNDJYOHEI-WMLDXEAASA-N 404.492 1.683 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507554481 SAUFRIVWNNGKKW-HNNXBMFYSA-N 416.507 1.352 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CN2CCCCC2)C1 1507573212 FKIRPKBAZLOYTM-ZWKOTPCHSA-N 422.599 1.614 30 10 HDEE C#CCN(c1nnc(C)n1CC1(c2cccc(OC)c2)CC1)[C@H]1CCS(=O)(=O)C1 1507624493 AOSAXVGVOKHCDB-SFHVURJKSA-N 414.531 1.954 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1507688915 FNRSSGXUFYIQHJ-CVEARBPZSA-N 408.524 1.183 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CC(=O)N(C)CC)CC1 1507726898 MJLMOBPMSZXXRL-UHFFFAOYSA-N 419.533 1.515 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(CC)CC2)CC1 1507885016 PRWCHIATKIJWJA-INIZCTEOSA-N 409.556 1.958 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1507964579 DNJCMSLLCYAPKJ-UHFFFAOYSA-N 400.483 1.745 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508095046 KXVWRZQCVRPPPD-KRWDZBQOSA-N 410.522 1.423 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1516217439 ACFXBZIXDKOOSK-NQIIRXRSSA-N 413.478 1.607 30 10 HDEE CO[C@@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1517801426 PKYTXWXLLCZNEO-CABCVRRESA-N 410.400 1.960 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCN(C)C 1518478105 CFRUAQCNLZOGBY-SFHVURJKSA-N 414.510 1.184 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1518636594 CWJSOSKDNXTXDN-KZNAEPCWSA-N 410.478 1.180 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)CCC2=O)cn1 1521684257 GKXOVQXMTLQPQR-CYBMUJFWSA-N 407.409 1.998 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC(C)(C)CC#N 1528381146 NLNXWTNNIGFRCG-UHFFFAOYSA-N 422.551 1.691 30 10 HDEE CC1CCN(C(=S)SCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1532112555 DAQKCWPRAWXOAH-UHFFFAOYSA-N 408.553 1.806 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN3CCSC[C@@H]23)ccc1F 1537950505 XJDMGQPUQRHLJZ-CVEARBPZSA-N 413.540 1.600 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)COc2cccc(Br)c2C#N)CC1 1538077489 JRSJGGPCNBBHEO-UHFFFAOYSA-N 416.297 1.240 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539205349 GZDYDUWRFLMRFA-RBUKOAKNSA-N 407.584 1.724 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(C)cc1 1539266608 QZOOBILYNTXAKT-SFHVURJKSA-N 412.515 1.640 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1539516853 FLGFWPOWFPANIH-AEFFLSMTSA-N 400.552 1.715 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCNC(=O)C(C)C 1539612097 ILYRSNZOXWHWKU-IAGOWNOFSA-N 420.558 1.606 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1540049030 GGLZGDHRDMHKHG-UTKZUKDTSA-N 416.526 1.953 30 10 HDEE C=CCn1c(COc2ccccc2CC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1540860443 NWEXSBYOQQJGPC-IAGOWNOFSA-N 400.479 1.966 30 10 HDEE Cc1nnc(S)n1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1544145527 CYIPQQGRKYYPEX-UHFFFAOYSA-N 421.324 1.762 30 10 HDEE Cn1cnc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@@H]2C(N)=O)c1 1548368122 UXPRUIMGOKXLFQ-OAHLLOKOSA-N 406.368 1.127 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCSCCCO 1555079298 WROAIESOOKRUPE-QGZVFWFLSA-N 417.535 1.722 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OCC 1556642574 PSMLVJCVXUKKCS-AOMKIAJQSA-N 413.474 2.000 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@](O)(C(F)F)C2)C1 1556680838 MDJCZUDJBMVDSO-MRXNPFEDSA-N 400.223 1.985 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)COc1ccccc1C#N 1557521393 KFQAHRWZLZWQEQ-HXUWFJFHSA-N 405.451 1.052 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)C2)c1 1557720771 DGACMSGWOXWHST-IEBWSBKVSA-N 405.376 1.992 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)NCc3cncc(C#N)c3)cc2[N+](=O)[O-])CC1 1558450174 QMQHROIMXRBPEB-UHFFFAOYSA-N 408.418 1.460 30 10 HDEE C=C[C@H](C)ONC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1559007778 OUQWECZGCHFSNJ-LBPRGKRZSA-N 407.448 1.197 30 10 HDEE C#CC1(O)CN(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 1563517039 DJYIWQXFLXAWPV-UHFFFAOYSA-N 424.467 1.997 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2COCCN2C(=O)OC(C)(C)C)n1 1565188793 JVGIABXZALYKAE-QGZVFWFLSA-N 405.499 1.684 30 10 HDEE N#C[C@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1569055086 KCTRYEUFWMZEFN-CFVMTHIKSA-N 415.309 1.043 30 10 HDEE CS(=O)(=O)c1ccc(Sc2ccccc2C(=O)N[C@H]2CCN(O)C2=O)cc1 1569560150 FZMANJZQTNMMMD-HNNXBMFYSA-N 406.485 1.961 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2noc(C(F)(F)F)n2)cc1S(=O)(=O)NCC#N 1570579182 NUMOQYXCCHVVFM-VIFPVBQESA-N 417.369 1.690 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)C1 1570831672 SPUKYCSMZPSCDJ-LJQANCHMSA-N 412.515 1.964 30 10 HDEE COC(=O)CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCCC1 1584018322 OIVBVURDJJKFRU-CQSZACIVSA-N 407.492 1.559 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1noc(CC)n1 1587568225 OTEVHCHAQDJZSC-YWZLYKJASA-N 402.499 1.965 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(C)COC1 1587578988 AZJXPVFPWKQFRW-OAHLLOKOSA-N 417.535 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCNS(=O)(=O)CC 1587667591 KIEQHIXWAILGHO-KRWDZBQOSA-N 419.551 1.871 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1587808563 UCEZLAGYIOYJLG-VQIMIIECSA-N 410.540 1.431 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCc1nc(C)no1 1588162666 WVKQLCHQHAWKPM-UHFFFAOYSA-N 423.502 1.667 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCc2ccco2)CC1 1588791020 KPYNVCGGKYUIRH-UHFFFAOYSA-N 418.501 1.918 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCC=CO2)CC1 1588930453 WNCKMVRZSPIKJW-OALUTQOASA-N 413.522 1.831 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCN1CCSCC1 1589233848 LPFZMPXAPODGEB-HXUWFJFHSA-N 402.568 1.441 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(O)CC1 1595143055 YZHOVPMCBMLRKZ-ZDUSSCGKSA-N 411.553 1.667 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1595777412 MOIWDZJDSUPXPT-FQEVSTJZSA-N 415.519 1.262 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(N(C)S(C)(=O)=O)CC3)n[nH]2)c1C 1597888564 WBLZXOMHLFGPJF-UHFFFAOYSA-N 420.539 1.572 30 10 HDEE CCN(c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1615265043 MOQXMAJZIDXJLX-VXPUYCOJSA-N 424.509 1.655 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@]2(c3cnn(C)c3)CCCO2)ccc1F 1616658821 RJAMUTNSGSWQID-LJQANCHMSA-N 422.482 1.459 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1618173001 IAKKNDXAIFXYOM-LPHOPBHVSA-N 408.520 1.543 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCCN(C(C)=O)CC2)CCOC1 1619052314 IBDPHKVFKHHFJO-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccco1 1619911762 FWJWVKIUOPLZBA-KUHUBIRLSA-N 402.455 1.096 30 10 HDEE COCCn1nnc2c1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1624886134 SIOCUVKQWFTZRN-AWEZNQCLSA-N 406.487 1.396 30 10 HDEE Cc1c(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cnn1CCC#N 1626081785 MGJUPGPDULABSD-UHFFFAOYSA-N 412.469 1.713 30 10 HDEE CN(C)Cc1nc(C(C)(C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)no1 1626382785 NQAWRBKFARNDBL-UHFFFAOYSA-N 409.443 1.233 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1628324742 PYQQTHPKCIVGOG-UHFFFAOYSA-N 400.460 1.255 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCOC(=O)N(C)C 1628725964 XGUGUDVLXQWVTL-UHFFFAOYSA-N 414.256 1.913 30 10 HDEE Cc1c(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cnn1CCC#N 1629750904 ATGDIKVCVSAZJL-UHFFFAOYSA-N 409.443 1.043 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 1630038461 CJOFBKGDVNHTQZ-KRWDZBQOSA-N 421.475 1.125 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C)c(C)[nH]1 1630877547 GFQFZJCPCNZXRO-HNNXBMFYSA-N 403.508 1.940 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OC)c1ccnn1C 1630881166 QBXNEFREWGHOQR-AAEUAGOBSA-N 400.863 1.786 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CC(F)(F)CNC(=O)OC(C)(C)C 1631744561 HBKGJQKRXORNBF-CYBMUJFWSA-N 424.452 1.935 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F)c1cc[nH]n1 1632876893 NNVXAKCNMHKYND-INIZCTEOSA-N 423.351 1.985 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC1CCCCC1)C(=O)OC)c1cc[nH]n1 1634093499 GXJIQPIKPIAPKD-HNNXBMFYSA-N 408.455 1.322 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)C1 1634108658 NRWMXIXRXOIIDS-ARFHVFGLSA-N 419.526 1.692 30 10 HDEE COC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 1634188264 QPVNYEZMGKMEPQ-NEWSRXKRSA-N 400.479 1.794 30 10 HDEE CCOC(=O)c1c(NC(=O)Cn2cc(C#N)c(O)nc2=O)sc2c1CCCC2 1634266374 HUCRWJKZRDFJSL-UHFFFAOYSA-N 402.432 1.576 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCn2c(nnc2-c2cncc(Br)c2)C1 1634292080 NQYYMSXZHIXDBN-UHFFFAOYSA-N 420.267 1.954 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 1635875329 YQJPWJYKOMZWKX-UHFFFAOYSA-N 420.318 1.989 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CCO1 1639633407 DUYYRTDLDXWNCP-OAHLLOKOSA-N 406.291 1.803 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1642581785 MRBUUOKWOQYYOQ-OLZOCXBDSA-N 409.936 1.563 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](C)NC(=O)c1ccc(Br)s1 1642950450 FASGCMZLEYVTRL-VIFPVBQESA-N 402.270 1.544 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)[C@H](C)c1cccc(C#N)c1 1643330127 IFMBZSZENDAVNZ-ZIAGYGMSSA-N 414.487 1.544 30 10 HDEE Cc1c(C#N)c(=O)n(C[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)c(=O)n1C1CC1 1644154469 ITAYWGDMRAFVMR-OAHLLOKOSA-N 416.478 1.694 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)N(c1ccc(C)c(C)c1)[C@@H]1C=CS(=O)(=O)C1 1644209405 CTNSTEGQDBTZDE-GOSISDBHSA-N 419.503 1.336 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)C2CC2)CC1 1645581867 RFGGYVSJRHZEJE-INIZCTEOSA-N 415.556 1.872 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2C[C@@H](CO)[C@@H](CCO)C2)nnc1-c1ccco1 1648861267 QQNPHERDWYGUPZ-GJZGRUSLSA-N 406.508 1.656 30 10 HDEE CC[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccccc1OCC(=O)N1CCCC1 1650811208 ARVQIDYOWKLRNJ-INIZCTEOSA-N 411.462 1.510 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1652520700 DCQHRNQJDFFKGG-SGTLLEGYSA-N 409.464 1.315 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 1655643180 PIMOAYOHNGCNPO-UHFFFAOYSA-N 404.513 1.931 30 10 HDEE COC(=O)[C@](C)(NCCS(=O)(=O)c1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 1659688067 SLDRIUPCBOOMBI-LJQANCHMSA-N 417.443 1.918 30 10 HDEE C#CCN1CCC(NS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1666232981 LPLULPLRXZYMPK-IBGZPJMESA-N 419.547 1.662 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnn3c2OCC(C)(C)C3)c1 1666541802 DBLJMHLOBPUJMV-UHFFFAOYSA-N 402.476 1.542 30 10 HDEE Cc1nnc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3C(F)(F)F)CC2)n1C 1670082404 DHNNMJZGGCJDFM-UHFFFAOYSA-N 414.413 1.525 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCc2ccc(C#N)s2)C1 1683457293 SEWQSDHGDZYDGU-OAHLLOKOSA-N 400.526 1.202 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CCN(Cc2ccccc2)C1 1685901531 SWPULRIWZAWYLP-RDJZCZTQSA-N 422.489 1.297 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccnc(-c4ccccn4)n3)CC2)nc1 1687443596 MHSPNPZGEGBLOG-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(n1)CCCC2 1690092592 NMVAITINEGBKLB-UHFFFAOYSA-N 410.522 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CC(F)(F)CO2)n1 1690109638 YQGFIVBHRPYZGC-INIZCTEOSA-N 408.453 1.747 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1690188591 LIKVEXHCNZIHOY-DOXZYTNZSA-N 407.540 1.070 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690340532 VLZBLQXWWVUIGG-CQSZACIVSA-N 403.874 1.509 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@H]1OC 1690520083 IXDFYWMEFYNQLC-SJLPKXTDSA-N 410.482 1.595 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1=CCCOC1 1690615307 ABLDNSVFFFAKRG-UHFFFAOYSA-N 422.493 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1690664084 JWVWOFNTCDEVBO-UHFFFAOYSA-N 414.510 1.843 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)C(=O)NCC)C1 1690693564 CWUFROZKZZISGC-MRXNPFEDSA-N 401.515 1.622 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCC[C@@H]1NC(=O)NC1=O 1690997755 PHEBGYVPQMPMHH-YPMHNXCESA-N 416.873 1.578 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCC(=O)N(C)C)cs1 1693362243 UPRULVAPTQYBBA-HNNXBMFYSA-N 403.512 1.231 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccsc2)CCOC1 1696084568 CAMFFRBUYRARQE-APWZRJJASA-N 403.508 1.963 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1696588497 HOAVCXMTYLTCNC-MRXNPFEDSA-N 405.466 1.375 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCO 1698256027 WJJYNEXTRFPREE-WDSOQIARSA-N 418.542 1.341 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCCCO)cc1 1698487902 FBVBMCVEEJSFCH-SFHVURJKSA-N 410.478 1.027 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CC2)CCO1 1698490648 FGICWCHDZFDFRU-INIZCTEOSA-N 411.466 1.471 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1cccc(OCC(N)=O)c1 1705500509 OPYVBLFFGRAFSR-MRXNPFEDSA-N 421.505 1.510 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCNS(C)(=O)=O 1705503132 PSQXKXRBDFOXHT-INIZCTEOSA-N 405.524 1.481 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1705563981 IVWZWYDLDLCKGP-GHTZIAJQSA-N 414.531 1.733 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1705566908 RPHDCRYWLHHVRU-HZPDHXFCSA-N 401.492 1.593 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1CC(=O)N1CCN(c2ccccc2)CC1 1705572465 CDFGFBKLOIUVDX-UHFFFAOYSA-N 404.518 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCC(C)C 1705599197 WHVRROSEZLYEPL-GHTZIAJQSA-N 420.579 1.830 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCNC(=O)c2occc2C)CC1 1705641947 ZTDIFKHPSLHMFK-UHFFFAOYSA-N 410.522 1.707 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NC)CC1 1705679222 FXPRTWYYGOSDPW-UHFFFAOYSA-N 413.320 1.287 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705819878 WJVDNPDTGLLUEM-CABCVRRESA-N 422.511 1.416 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NC(C)C 1705883123 WLJFAZURTPJFCS-UHFFFAOYSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCCCC[C@H]21 1705896990 DCZQAFVRUSMHBV-HRCADAONSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1705905253 PAOFMEDCHGQIPL-CYBMUJFWSA-N 418.448 1.116 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(CC)nn(C)c2OC)C1 1705924731 GBQXPUWRBKZGFO-CVEARBPZSA-N 416.526 1.916 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2nccs2)C1 1705925559 QRCCJQTZDIQJPA-CABCVRRESA-N 423.564 1.661 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1705934567 PQUBYNZFROQENW-FQEVSTJZSA-N 420.510 1.993 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705948374 RDWADBVNSFAQFH-FQEVSTJZSA-N 415.567 1.918 30 10 HDEE CC(C)c1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1706300690 NPQBNCNDHISEPK-ZPHPHTNESA-N 414.510 1.935 30 10 HDEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1706646473 NSCFOOUACJZUKO-UHFFFAOYSA-N 413.482 1.660 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1706936277 PRSOHZFZXOBFOR-OAHLLOKOSA-N 413.526 1.559 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1709902803 AGUFSBKUZXRKQB-UHFFFAOYSA-N 418.461 1.353 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1710467461 NGMRNDSPMTWGGI-XWDORNJCSA-N 419.526 1.600 30 10 HDEE CCOCc1nnc(N2CCC[C@@H]2CSC)n1CCN/C(O)=C1\N=CC=CC1=O 1710718661 VCUVMBQNGANVFY-IAFNSTAXSA-N 420.539 1.673 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722365150 KWFOAZKZZOYFBW-RDJZCZTQSA-N 421.592 1.507 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC1 1722419508 AIQKHSAXFAINEW-MRXNPFEDSA-N 418.519 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN(C)c2ccccc2)CC1 1722437591 HHFOHLRYVROZPQ-UHFFFAOYSA-N 418.549 1.960 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1722495309 RFFFOHUQNJGERM-CTNGQTDRSA-N 418.586 1.948 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCn2nc(C)nc2C1 1722535773 NNIIIRIFGDASIP-UHFFFAOYSA-N 411.514 1.653 30 10 HDEE C=C(Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1)c1ccccc1 1722540768 HNEGQFKNSVJFQT-LJQANCHMSA-N 411.506 1.790 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722603993 RQCCCESTPRFHJK-AEFFLSMTSA-N 418.567 1.713 30 10 HDEE C=CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722610910 FFCPZKQLJDVOIW-CQSZACIVSA-N 415.885 1.107 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1722686769 LIGFGFXPILQVPI-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC(=O)NCC2CC2)CCOC1 1722865032 XRIIIEYBFNKGEI-YWZLYKJASA-N 404.515 1.441 30 10 HDEE CCN1CCC[C@@H]1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1728586941 VGGFKRWXQNAXPM-LVCYWYKZSA-N 418.542 1.532 30 10 HDEE CCOCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1729157013 KOWJALHGYXUODS-AWEZNQCLSA-N 405.528 1.871 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1729592559 KNHLKQWKYMRVDD-OAQYLSRUSA-N 402.462 1.721 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS2)CCO1 1729679116 GSBWHZIZIGRNPD-IAGOWNOFSA-N 412.519 1.664 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1CCS(=O)(=O)C(C)(C)C 1730760846 CHWHJJWLLBTURV-UHFFFAOYSA-N 421.527 1.315 30 10 HDEE COCCn1cc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cn1 1730771525 AJEOPBNQZDGOMS-DLBZAZTESA-N 401.471 1.140 30 10 HDEE CS(=O)(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CC=CCC1 1731005993 LZADBERJOQKKHP-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1740531898 AGPJLNLMDWIWOP-CABCVRRESA-N 405.524 1.712 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCS2)CC1 1740705143 BRXUDFMCUQPSLX-SJORKVTESA-N 403.552 1.643 30 10 HDEE C=C(Br)Cn1c(-c2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740741573 NPGAENZNEGRWQK-GXTWGEPZSA-N 403.284 1.964 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740750753 FMRVEUPFLMAJEL-WKULXVSPSA-N 408.499 1.545 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1740793102 POYTVMNPKHUNLN-HKUYNNGSSA-N 404.559 1.422 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(S(C)(=O)=O)CC2)CC1 1740842936 QWRUTCDVLDSDLM-IRXDYDNUSA-N 424.567 1.982 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(C)c2C1 1740958822 VREHMDYNBOLDBO-QGZVFWFLSA-N 412.469 1.542 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCn2nc(C)cc2C)C1 1740980328 OVTUDUUQKGROOV-MSOLQXFVSA-N 413.526 1.914 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccn2)CC1 1741001725 CBJXRDMIKMQXMT-INIZCTEOSA-N 401.540 1.818 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1741126546 TWOWRBAZLQBYRY-DZGCQCFKSA-N 416.507 1.223 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C 1744770710 HXBYYVYBJSQFFB-MAUKXSAKSA-N 411.510 1.394 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)CC1 1747371406 NODAJSJHOBXEMW-LJQANCHMSA-N 416.501 1.960 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1748802352 OHMXDRCVTSUJPJ-HNNXBMFYSA-N 409.556 1.071 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1 1748864163 RUKVBUUJDDURMO-JKSUJKDBSA-N 409.581 1.637 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(N(C)C)CCSC1 1748888587 YVZRQDUXDDDPCA-OXQOHEQNSA-N 400.552 1.129 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1748907869 PAPOBXTUUUUASS-FQEVSTJZSA-N 424.567 1.746 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1OCCC1(C)C 1748948849 YOIJITREVNIKLD-MRXNPFEDSA-N 412.494 1.827 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccc[nH]3)n2Cc2ccn(C)n2)n1 1748970730 PKLBVWTZVOHFSC-UHFFFAOYSA-N 419.493 1.538 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(OC)CCCC2)CC1 1748994648 LSXSTUKATRCFFO-UHFFFAOYSA-N 400.527 1.115 30 10 HDEE C=C(C)Cn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OCC)CCOC1 1749207374 JRFNEPWDLGXCJN-MAUKXSAKSA-N 400.545 1.766 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749412554 NWARJVHVKXAQPQ-LSDHHAIUSA-N 410.544 1.056 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(=O)NC)CC1 1749456356 COHRQOKWBRDBNY-MRXNPFEDSA-N 404.515 1.174 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1749530333 ZBZSQIDNKIDRPW-JOCHJYFZSA-N 424.505 1.632 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@@H]1C 1749677178 QPZIGDKULUNCGQ-HNNXBMFYSA-N 421.505 1.319 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCc2ccco2)C1 1749714030 DPZFYFAYNKACRN-IBGZPJMESA-N 422.489 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749722038 ZPWQHVKUZGOSNK-ZIAGYGMSSA-N 404.558 1.016 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1749741198 SQNLVLDQINILJS-OXJNMPFZSA-N 421.567 1.818 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1749822584 WEWWNHJYBVUMRC-UZLBHIALSA-N 420.514 1.121 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C1 1749946745 FJOBOFHTPXTKHN-HNNXBMFYSA-N 411.466 1.018 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750377929 CGSQZEZXRQORFA-RDTXWAMCSA-N 404.471 1.141 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1760096923 WXFFCLHQPUHXRA-CABCVRRESA-N 416.507 1.351 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(C)(C)C(=O)NC 1760197114 QJIMKZRKANRGIC-UHFFFAOYSA-N 409.490 1.807 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1 1760242966 TVXUCCBKOCREEM-HUUCEWRRSA-N 415.585 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)N2CCOCC2)CC1 1760266210 SFFWOEKDQHDSNJ-ZWKOTPCHSA-N 416.570 1.478 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@]2(O)CCOC2)CC1 1760268782 YIQWQMRBMJYFMP-HSZRJFAPSA-N 423.517 1.371 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C)C1CC1 1760476883 JJKWXCCPKUWJAR-OAHLLOKOSA-N 416.551 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C)C(=O)C1 1760519395 BZMYZBSMAABRLS-UHFFFAOYSA-N 405.462 1.074 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760543129 PYYHGBBIHRPRJQ-IXDOHACOSA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1C1CCC1 1760556232 XFBZLSYUYIIAIL-CVEARBPZSA-N 407.540 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C)CC1 1760557844 XMCNMKHVJPUBRU-UHFFFAOYSA-N 406.556 1.977 30 10 HDEE CCOCc1nnc(N2CCC(C(=O)NCCOC)CC2)n1Cc1ccc(C#N)o1 1766285055 UGAMWWHRUYWOTB-UHFFFAOYSA-N 416.482 1.307 30 10 HDEE CCOCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1766594542 WIPLPDLKSBXXJR-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE CO[C@@H](C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1768008169 PFUAASZMLWJCHL-WCQYABFASA-N 409.288 1.810 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1770874631 UYVPVYCCGCOTED-QGZVFWFLSA-N 410.434 1.865 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C[C@H]21 1771310512 ZCTZAQQZMKMIBM-IPMKNSEASA-N 424.505 1.536 30 10 HDEE CN(C)CC#CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 1850054415 VVTSQZWMUWKPNR-LJQANCHMSA-N 405.564 1.818 30 10 HDEE Cc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)c1 1851537336 ISAOFYPPWDANOU-GOSISDBHSA-N 415.519 1.746 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cnn(-c4ccccc4)n3)CC2)nc1 1851646163 XOAVVJLDVLQDHR-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)CN3C(=O)c3ccc(F)cc3)CO2)nc1 1851682732 JJOYBSZMARSXMP-ZWKOTPCHSA-N 424.388 1.240 30 10 HDEE CC(C)[C@H](C(=O)Nc1c(C#N)cnn1CC(F)(F)F)N1CCS(=O)(=O)CC1 1851784569 OJWUILOTKSOXGJ-GFCCVEGCSA-N 407.418 1.011 30 10 HDEE N#Cc1ccc(N2CCN(CCOCC(=O)c3ccc4c(c3)OCCO4)CC2)nc1 1852266623 PJBJNNXXLSQWIU-UHFFFAOYSA-N 408.458 1.746 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2cnc(N(C)C)c(Br)c2C)NC1=O 1852354983 XYHYEHMLTJBHPM-UHFFFAOYSA-N 408.256 1.153 30 10 HDEE C=CCN(C(=O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)[C@@H]1CCN(C)C1=O 1852959850 KHZPDKRIXMSTOP-IAGOWNOFSA-N 411.499 1.374 30 10 HDEE Cc1nc2ccccc2n1CC(=O)OCCN1CCN(c2ncccc2C#N)CC1 1853040546 SSLHMOQMFPBWBW-UHFFFAOYSA-N 404.474 1.977 30 10 HDEE N#Cc1ccc(C2CC2)nc1C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1 1853298963 HQAWNRHLNNMZIE-UHFFFAOYSA-N 401.434 1.164 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(CCN3CCOCC3)C3(CCCCC3)C2=O)c1 1853796099 QPAUDAYMISWLDQ-UHFFFAOYSA-N 410.518 1.878 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 1853799936 NDUMUBNCBZYQFA-LJQANCHMSA-N 404.474 1.231 30 10 HDEE N#Cc1cc(C(=O)N2CCN(CCN3CCOCC3)C3(CCCCC3)C2=O)ccn1 1853833173 OBJNIUBGSQESSC-UHFFFAOYSA-N 411.506 1.273 30 10 HDEE CS(=O)(=O)[C@H]1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)C1 1854030077 PIOMUYGQZOUPBV-GJZGRUSLSA-N 423.922 1.514 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cc(C)no3)C3(CCCCC3)C2=O)CC1=O 1854091382 JDNNFUPSBHBWRV-KRWDZBQOSA-N 414.506 1.891 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cccc(OC)c2OC)C1=O 1854167994 XHLCRTWIHVLFEW-DLBZAZTESA-N 415.490 1.093 30 10 HDEE C=CCN1CCN(C(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)C(=O)[C@@H]1C 1854282934 RVCKFWPKMROMKO-ZDUSSCGKSA-N 400.504 1.986 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1854725985 MUFHNRHYDWUNDM-SWLSCSKDSA-N 408.380 1.394 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3ccc4c(c3)OCO4)C(=O)C2)C1 1854956428 MUQNHOMQGHRGGF-AEFFLSMTSA-N 412.490 1.395 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CCN([C@@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854967156 KJPJEHHMYAYBBZ-DLBZAZTESA-N 401.511 1.924 30 10 HDEE Cc1cc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)n(C(C)C)n1 1854985096 JOYUHKINJDYACN-ZWKOTPCHSA-N 400.527 1.823 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCc1ccccc1 1856331350 SIFHWBDMFCVKFE-INIZCTEOSA-N 411.483 1.804 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1856867070 TUMHWTNOBSTVFR-QZTJIDSGSA-N 401.507 1.784 30 10 HDEE C=CCCC(=O)N1CC[C@@H](N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)C1=O 1857112192 SUVUCQFPJOJWAG-CQSZACIVSA-N 410.396 1.843 30 10 HDEE CCc1ccc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1 1857151277 UGHCVMHPWVQAMT-IBGZPJMESA-N 404.474 1.472 30 10 HDEE COCCc1nnc(S)n1/N=C/c1c(C(=O)OC)[nH]c2cc(OC)cc(OC)c12 1873502754 TTXMVRZBOLYGCZ-DJKKODMXSA-N 419.463 1.923 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874498708 DNCZDLGPFFLSFZ-GIJQJNRQSA-N 422.467 1.881 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(=O)n3cccc(C)c3nc21 1875238235 QDEWVMKBXOSGFK-UHFFFAOYSA-N 409.490 1.596 30 10 HDEE C=CCNC(=O)NC(=O)CSC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882748684 DRNYHJJZHGDJKD-OAHLLOKOSA-N 423.491 1.890 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985095428 DLRRWKOONSLCLC-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE C#CCO[C@H]1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2029231674 XXULKMFXODIENQ-INIZCTEOSA-N 404.488 1.507 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)c1cncc(C#N)c1)C(=O)OC(C)(C)C 2118168499 LXUNVSXRTXJWLS-VWLOTQADSA-N 402.498 1.607 30 10 HDEE C#CCOCCNS(=O)(=O)c1c(N)cc(Br)cc1Br 2133346657 LGEVNSVLWWMMCD-UHFFFAOYSA-N 412.103 1.722 30 10 HDEE C#CCN(C(=O)[C@@H](F)C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2199085458 HNMUDGDPOSEQNF-WUCCLRPBSA-N 402.488 1.277 30 10 HDEE CN(CCn1cc(C(=O)N[C@@H](C(=O)O)C(C)(C)S)cn1)C(=O)OC(C)(C)C 2233478740 NCMOAYYOTLVYMV-LBPRGKRZSA-N 400.501 1.641 30 10 HDEE CCS(=O)(=O)CNC(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2233878341 FQBMSPPCUUIUJJ-JTQLQIEISA-N 403.335 1.195 30 10 HDEE C[C@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243389898 YQUYTGLVQZSBMI-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2243424454 RDWLHFQUEVRBLM-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2nccc(B3OC(C)(C)C(C)(C)O3)c2F)C1 2247278564 JTRFMKKNNOXTJF-KGLIPLIRSA-N 423.294 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247815013 WGZMTHQHOTYBHF-HXUWFJFHSA-N 420.319 1.838 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826491 VBZMOMOEJAIOPK-QAPCUYQASA-N 410.327 1.959 30 10 HDEE Cc1c(C(=O)N(CC(N)=O)Cc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247840499 OAUYOVQBELXVKV-UHFFFAOYSA-N 412.299 1.155 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)nnn2C)C1 2247857683 WXAPGPJQACDTPW-UHFFFAOYSA-N 411.315 1.071 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247918736 MWZIVONFVBZTFD-GXTWGEPZSA-N 420.319 1.742 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247919539 WTCYYTPPEKNOQI-OCCSQVGLSA-N 420.319 1.694 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCC3CN(Cc4ccccc4)C3)nc2)OC1(C)C 2247920982 HIUMEIOUSGPXQT-UHFFFAOYSA-N 408.311 1.638 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248056386 QBBKUBUZVNQFTK-OLZOCXBDSA-N 418.303 1.419 30 10 HDEE CC1(C)OB(c2cc(F)ccc2NS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2277955639 LKNIHGPTPMCUDQ-UHFFFAOYSA-N 413.276 1.772 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2281993462 BFWNTXJJXXDLQP-NSHDSACASA-N 402.347 1.338 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@](C)(CN)C1CC1 2282325882 LBEZNZXJPKNNDX-QGZVFWFLSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2(C(F)(F)F)COC2)OC1(C)C 2282333687 RKRPBOUWKXWVLI-UHFFFAOYSA-N 413.248 1.657 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N3CCC[C@H](C4OCCO4)C3)c2)OC1(C)C 2282353389 HIMFBOWUDOBBQM-AWEZNQCLSA-N 424.328 1.154 30 10 HDEE CCN1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C 2282415756 LVSZNBPZUNPLOX-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@H](CCO)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282504915 WBVBATQCRAONEG-GFCCVEGCSA-N 403.737 1.936 30 10 HDEE C[C@H]1C[C@@H](C)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1=O 2282510433 YIUWWCBIQQPZGD-WDEREUQCSA-N 400.331 1.529 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(CCCN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282824481 BORJDBWVGPHOEX-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]4[C@@H]3C[C@H]4O)cc2Cl)OC1(C)C 2282830259 QZQRCHIVPFOPQH-ZMLRMANQSA-N 419.761 1.845 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830740 ZIXXSZLLIGAGDL-MRXNPFEDSA-N 421.415 1.748 30 10 HDEE COC[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282835360 SRLZDLQIKMQXBJ-RISCZKNCSA-N 401.721 1.952 30 10 HDEE CC1(C)C[C@H](O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282858663 AGGYSFNHPTUPDX-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H](CO)C(F)(F)F)s2)OC1(C)C 2282868296 LKFCTLKEOJLZLR-VIFPVBQESA-N 415.264 1.496 30 10 HDEE CCC[C@@H](CC(=O)O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284403637 RUVSGCDVVZVYMN-NSHDSACASA-N 403.331 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@](NCCC#CBr)(C(=O)O)C[C@H]21 2324760844 KKTYLWYRDCVVJZ-XNJGSVPQSA-N 417.300 1.944 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H](CC)NC(=O)OC(C)(C)C 2365207816 QKITXTHABPJBLI-XHSDSOJGSA-N 404.573 1.845 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367796804 KBKKMDJLCIJURO-FZKQIMNGSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]([C@H](O)C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOC1 2367807122 QBKRXIRXLPNGND-OWCLPIDISA-N 401.525 1.495 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]1C 2367812831 XJLAUDJWSXNCGM-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE CCC1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCN(Cc2ccccc2)CC1 409479153 PGAGEWBFDOIQSP-LJQANCHMSA-N 406.552 1.738 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2C)cc1C#N 427275798 MWUUSAXFPHYFMS-UHFFFAOYSA-N 406.489 1.812 30 10 HDEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)c2)cc1 442275391 OSEAPLBPSDSRRM-IBGZPJMESA-N 422.441 1.389 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c(OC)c1 461301562 MDENAYIWTFVPPP-UHFFFAOYSA-N 411.524 1.143 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)cn1 461307502 RYFOCLPCHRHAFT-UHFFFAOYSA-N 401.386 1.443 30 10 HDEE C=CCn1c(O)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 470835662 HOHXIBMNEOZEDH-WDEREUQCSA-N 411.509 1.175 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3nccn3CC(F)(F)F)CC2)c1C#N 472101113 AOTUVTIWNJQJGC-UHFFFAOYSA-N 410.404 1.391 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2[C@H](C(=O)OC(C)(C)C)C[C@H]3CCCC[C@@H]32)C1=O 476794033 ZOOJVIBIFJEBMM-ILXRZTDVSA-N 419.478 1.465 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(S(=O)(=O)NC)c3C)cc2C1=O 481885108 ZAMWDQNWSJBPPM-UHFFFAOYSA-N 413.455 1.937 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 488620505 XQPNDGLMVZPSNZ-HNNXBMFYSA-N 407.492 1.682 30 10 HDEE C[C@@H](Cn1cncn1)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 502118674 GLDNBMUDPSIOGH-ZDUSSCGKSA-N 411.445 1.377 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)nn1CCC#N 504247957 ZKHRUYCVYLTQOL-ARFHVFGLSA-N 421.523 1.153 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)CC(C)C)n(C[C@H]2CCCO2)c1=O 505700587 QELMCWRYYXDNPB-OAHLLOKOSA-N 414.531 1.249 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC(=O)N(CCC#N)c2ccccc2)CC1 507702689 QUCWTGCIFYJJAV-IBGZPJMESA-N 411.550 1.998 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(C(=O)COC)CC1 508800007 CQKHJXYRVSACHE-UHFFFAOYSA-N 410.522 1.712 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 508934059 IAAKSKXMMAVHIE-QGZVFWFLSA-N 401.515 1.793 30 10 HDEE CS(=O)(=O)N[C@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 511312235 AZQUTUKKZVUDKO-NHYWBVRUSA-N 405.929 1.598 30 10 HDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 512974977 IGWAUICDKSFFQX-ZDUSSCGKSA-N 412.425 1.339 30 10 HDEE CCN1CC[C@H](N(C)C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)[C@H](C)C1 525029442 SLQRBIHTKMQMFG-LZQZEXGQSA-N 411.506 1.952 30 10 HDEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 533606569 DUTMBAPOBCXZPA-RTBURBONSA-N 404.580 1.822 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@H]2C1 535875333 HSJRPVRLBJNHAR-WCZJQEMASA-N 407.492 1.020 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 541760843 UZAGWUHNKVXVDM-SNVBAGLBSA-N 404.275 1.755 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCN(c2cccc(C#N)n2)CC1 546197018 DOUOOMYLPMQPBN-UHFFFAOYSA-N 415.457 1.298 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)n1 546875822 MOMPVVBNMQZOEI-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](CC(=O)O)C2CCOCC2)c1 548592159 IEKWFJIDHRGXNG-AWEZNQCLSA-N 417.281 1.869 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@H](c2ccnc(N)n2)C1 548719042 VQSLXCWNVHRWLM-HNNXBMFYSA-N 404.478 1.929 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1F 556803190 QHHLNXIJROMXGZ-HXUWFJFHSA-N 424.407 1.928 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 670200084 MSMMLIUERRRUGJ-QLFBSQMISA-N 415.585 1.517 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1)[C@@H]1CCS(=O)(=O)C1 729332216 KVRNDKWMCKUWEO-PKOBYXMFSA-N 400.500 1.177 30 10 HDEE C#CCN(C(=O)c1ccn(-c2cccc(Br)c2)n1)[C@@H]1CCS(=O)(=O)C1 730214273 YSALNUPQYMQIHC-OAHLLOKOSA-N 422.304 1.897 30 10 HDEE NC(=O)N=C1C=CC(=C(O)/C(=C(/S)NC[C@@H]2CCCO2)[n+]2cccc(O)c2)C=C1 732178135 YIZPLZURZQYMKC-INIZCTEOSA-O 415.495 1.962 30 10 HDEE N#C[C@@H]1CN(C(=O)Cc2cc3c(cc2Br)OCCO3)CCN1C1CC1 732652403 ZRFSSAVLUTZMRD-CQSZACIVSA-N 406.280 1.962 30 10 HDEE C=CCn1c(-c2ccccc2OC)nn(CN2CC[C@H](NS(C)(=O)=O)C2)c1=S 735072697 DQFKNQWGCIBKLC-AWEZNQCLSA-N 423.564 1.857 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCCC2)cc1 741339644 HRCAAAQHHZCQLH-QZQOTICOSA-N 412.446 1.685 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCOc1ccc(Br)cc1 746177527 FMRBAANHXCADNO-WUKNDPDISA-N 408.252 1.861 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cccn3c(I)cnc23)CCN1C1CC1 750611427 KTYWKXMXUSRPSP-GFCCVEGCSA-N 421.242 1.751 30 10 HDEE CCc1ncc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)s1 752194935 SFTMONBVXASYNY-UHFFFAOYSA-N 403.529 1.447 30 10 HDEE CS(=O)(=O)NCc1ccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)o1 753623952 KKHAUHJTHDPFAV-UHFFFAOYSA-N 402.476 1.599 30 10 HDEE COC(=O)[C@@H](Nc1cnn(CC(=O)N2C[C@H](C)O[C@H](C)C2)c1)c1ccc(C#N)cc1 762542939 CPLUMIYFEGIEOM-MDOVXXIYSA-N 411.462 1.717 30 10 HDEE C#CCN(C(=O)NCCc1ccc(Br)cc1F)[C@@H]1CCS(=O)(=O)C1 774212282 ZXNFUYLFVPDMCZ-CQSZACIVSA-N 417.300 1.963 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCCC#N)cn1 784125196 NIGYXZLGKCGMSF-HNNXBMFYSA-N 405.528 1.206 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc(CCNC(=O)OC)s2)c1 788037142 RIYBOXYJPIPWKO-UHFFFAOYSA-N 421.500 1.545 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1 793110329 TXLQNXFAWQVYAV-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CC2)c(F)c1 796376051 HNTLYELUWGNCLJ-XUTLUUPISA-N 411.437 1.556 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(Cl)sc1S(N)(=O)=O)c1ccc(C#N)cc1 798696766 UDLXALIRLQWPRM-LBPRGKRZSA-N 414.848 1.992 30 10 HDEE C=C(C)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802558356 NPXWFPORWRHNKW-TWOQFEAHSA-N 408.499 1.594 30 10 HDEE CCCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780446 AKFXOSJNENTVEI-DVEDPGPFSA-N 421.498 1.603 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1)c1ccc(Cl)cc1 810473023 BIDXGRNZBOUTAR-SFHVURJKSA-N 410.861 1.705 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)c1ccc(F)cc1 812754910 HBAKZQOFWPVERS-KRWDZBQOSA-N 405.451 1.289 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCN(O)C2=O)cc(S(=O)(=O)N2CCC(C)CC2)c1C 816693078 BOKMGRHTAOCUBY-INIZCTEOSA-N 409.508 1.444 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)CCc3c(C)nn(CCC#N)c3C)C2)n1 856699350 FUMIKMRHZGILBC-NRFANRHFSA-N 414.510 1.888 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2ccc([N+](=O)[O-])cc2)n1)Nc1nncs1 1084128452 KDDDNSNYGQFBHW-UHFFFAOYSA-N 405.425 1.741 30 10 HDEE CCC(C)=NNc1nc(SCC(=O)Nc2nnc(SCC(N)=O)s2)n[nH]1 1084501257 CFZMFSJKQVRNES-UHFFFAOYSA-N 415.530 1.162 30 10 HDEE CCOC(=O)C1=C(c2ccc(OC)cc2)[C@H](C#N)C(=N)N[C@@H]1[C@H](C#N)C(=O)OCC 1088645987 PYNCGHKUHCCZMK-RLFYNMQTSA-N 410.430 1.804 30 10 HDEE CC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1126778691 PVMSRNBVZBWLSZ-HOTGVXAUSA-N 410.515 1.717 30 10 HDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)COc1cccc(Br)c1C#N 1129021026 FTQDFZMRVLNAOQ-JTQLQIEISA-N 404.286 1.144 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)nn1 1130122812 WEFSQWLNBJPEBO-HNNXBMFYSA-N 403.508 1.815 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1 1130627046 QYQFOIQGMLNHIA-QGZVFWFLSA-N 406.504 1.643 30 10 HDEE CC(=O)c1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1136149530 OFJOQDMNSCWEBO-UHFFFAOYSA-N 404.473 1.364 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OC 1141994971 DSVPQACBKLJJOQ-KRWDZBQOSA-N 416.455 1.791 30 10 HDEE Cc1nc2c3cccnc3nn2c(C)c1CCC(=O)N1CCN(C(=O)CC#N)CC1 1150000711 NMGJTLXRNRCPPH-UHFFFAOYSA-N 405.462 1.411 30 10 HDEE COc1cc(NC(C)=O)ccc1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1151381746 BWLLBDYHQFPDPL-UHFFFAOYSA-N 416.459 1.721 30 10 HDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1167410295 VMJIUMMXMZIRDZ-IRXDYDNUSA-N 424.457 1.064 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(Cc3ccc(C#N)cc3[N+](=O)[O-])CC2)cs1 1169943915 WXSILIQTGFLLNB-UHFFFAOYSA-N 407.477 1.738 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(CO)(CO)CC2)CC1 1177258125 BWIRFGLIYODSEK-UHFFFAOYSA-N 414.462 1.616 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NN1C[C@@H]2CCC[C@H]2C1 1181803111 SQHCCWHGVJCRBQ-ZOBUZTSGSA-N 404.536 1.903 30 10 HDEE Cn1c(Oc2cc(Cl)cnc2I)c(C#N)c(=O)n(C)c1=O 1187207695 OAMOUJILTIXMAR-UHFFFAOYSA-N 418.578 1.401 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(OC)c(OC)cc2Cl)CC1 1211839773 GVKFKPDMHOGJRG-UHFFFAOYSA-N 402.856 1.825 30 10 HDEE Cc1ccn2cnnc2c1NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1274314436 RCNKGCXVCSSARX-HNNXBMFYSA-N 403.402 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCNC(=O)c1cc[nH]n1 1286302075 QREPNAXMPAPNMW-INIZCTEOSA-N 407.478 1.777 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(OCC)n2)CC1 1286348454 XBBTXIXSATZONS-KRWDZBQOSA-N 423.521 1.763 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](COC)OC)[C@@H]1CCS(=O)(=O)C1 1286389120 YMABEJDIHVGOIH-CVEARBPZSA-N 422.507 1.135 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCC[C@H]1OC 1286462796 WGJGNNIXTGQBGH-DOTOQJQBSA-N 415.494 1.907 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1286527643 GDQMEDQFEZHEPO-OAQYLSRUSA-N 416.526 1.917 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1286542691 WXWMWQDPKVUDDZ-USWWRNFRSA-N 407.309 1.883 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286612771 YCCJOBHNGFATME-IRXDYDNUSA-N 403.527 1.870 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1286711546 MMPMFNYZFCUVMJ-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C 1286758550 QAKNEUUJPVBKDH-OAHLLOKOSA-N 409.556 1.663 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1286787419 FPFAPORNJYANNF-IRXDYDNUSA-N 402.543 1.395 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(O)CCN(C(C)C)CC1 1286959061 DKWRNCGWDWYGGS-INIZCTEOSA-N 405.547 1.247 30 10 HDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C1 1287121505 YVTXXXHOAPMFRL-INIZCTEOSA-N 422.493 1.933 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288302437 OSWRMSHASIHHKE-UEXGIBASSA-N 419.526 1.599 30 10 HDEE C[C@@H](Cc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1288701498 ZIVXGWYGDWONAD-KRWDZBQOSA-N 406.486 1.628 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)sc2n(C)c1=O 1289350306 TZSJIAUBFPVUMX-OAHLLOKOSA-N 410.455 1.384 30 10 HDEE CS(=O)(=O)Nc1ccccc1NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1290621527 AFBQFRIPFMZVEK-UHFFFAOYSA-N 411.436 1.747 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CCN4C(=O)CCC4=O)CC3)n[nH]2)cc1 1300414750 SRBRZKWAAABRIS-UHFFFAOYSA-N 406.446 1.136 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)C1CCCCC1 1300464344 BPGZLMDWCQDBPB-KRWDZBQOSA-N 407.584 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CC2([S@](C)=O)CC2)CC1 1300688518 HDFWJGWAJMCQES-LJAQVGFWSA-N 413.547 1.620 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@@H](C)C2)CC1 1300707449 ZTQKDDLFEURNKD-PMACEKPBSA-N 411.554 1.710 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1300997692 YCENEYNHAOOCGT-GJZGRUSLSA-N 405.455 1.107 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NCC)CC1 1301050866 FZBQCNPSRKTYRJ-UHFFFAOYSA-N 406.922 1.744 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)C1CCOCC1 1301132835 MHFZKXOEUNFXEA-KRWDZBQOSA-N 414.911 1.423 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@H](OC)C1 1301497385 VEBIMSNPPKRLEF-XJKSGUPXSA-N 416.482 1.169 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](N2CCCC2)C1 1301507318 ZJWMIQFLXAKELK-LJQANCHMSA-N 409.538 1.631 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 1303026256 LSZGZQHBVIJKTR-SFHVURJKSA-N 404.532 1.773 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C(=O)CC#N)CC2)n(Cc2ccco2)c1C 1307776656 AQJMREAHHUMSTQ-UHFFFAOYSA-N 408.462 1.614 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 1312628212 ZPHAJNQBQJLJQC-KRWDZBQOSA-N 418.519 1.173 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC(C)C)CCO1 1315015168 GMAMJRYFHKWYQS-SFHVURJKSA-N 412.494 1.726 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCOC1=O 1316269680 LPXNANJBDRJKAE-JYJNAYRXSA-N 406.487 1.440 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCNC(=O)c1ccco1 1347849890 MESKTEDDRVFCDD-MTSZKFMLSA-N 401.463 1.239 30 10 HDEE C#CCCOc1ccc(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1357408077 IHHXFRXBDUSSAT-UHFFFAOYSA-N 417.443 1.705 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(=O)NC)C1 1358903660 FTQYNAAOWKRBDV-NRFANRHFSA-N 409.494 1.691 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1359032022 YJQINLSYZINOCG-VGSWGCGISA-N 406.490 1.112 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC2(CCOC)CC2)CC1 1359044239 AHYCSKCQSDNQDZ-SFHVURJKSA-N 415.538 1.565 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CC(C)(C)C 1359298833 NAFWVXLWDMYLQV-UHFFFAOYSA-N 423.521 1.977 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1360206616 BVEIQPWSYFUQKC-KBXCAEBGSA-N 406.462 1.401 30 10 HDEE C[C@@]1(CC(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)CCS(=O)(=O)N1 1435913226 KDQUGYLAKSLTSO-IBGZPJMESA-N 404.492 1.680 30 10 HDEE CC(=O)N1CCC[C@H](CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1436122906 DLQVZYYNAIUPKP-SJLPKXTDSA-N 411.462 1.138 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(F)cc(I)c2N)C1=O 1448524397 YSWVOSIOPIIZRB-LBPRGKRZSA-N 417.222 1.871 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C1 1454631002 DFIQHAHSVKYLOU-ZDUSSCGKSA-N 402.455 1.313 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCn2cc(CO)nn2)C1 1468719966 ATAQTQNWULXWIZ-UHFFFAOYSA-N 419.283 1.047 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C(=O)OC)CCCC(C)(C)C2)cc1 1470234865 ZYAMWWILLNAWCT-HXUWFJFHSA-N 406.504 1.840 30 10 HDEE C=CCn1cc(C(=O)N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)nn1 1470572904 VSBDKELWMRMUNU-UHFFFAOYSA-N 423.521 1.160 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)N(C)CCc2cccc(C#N)c2)cc1OC 1470841436 JFILIBGHOYCDKH-UHFFFAOYSA-N 417.487 1.555 30 10 HDEE CC[C@](O)(CCC(F)(F)F)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 1472626467 TYAJEFDHDFACPF-HNNXBMFYSA-N 407.414 1.436 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1478674080 LKOBTMMNTZGFBC-MSOLQXFVSA-N 409.508 1.445 30 10 HDEE CCc1nnc(N2CCS[C@H](C(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499240095 CRDBPADREAGJPS-DVEDPGPFSA-N 404.540 1.945 30 10 HDEE CC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCO1 1499660823 PYDPWCKTOURBDT-STQMWFEESA-N 408.484 1.016 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCC1 1502915092 HZPRICKEVZSYPG-MRXNPFEDSA-N 413.478 1.900 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1503603212 IYLRKARYFCLJKA-INIZCTEOSA-N 407.496 1.904 30 10 HDEE COc1ccncc1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1504455560 CRITVTKMQYHKDI-NRFANRHFSA-N 409.494 1.982 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1504602030 ZQWDYEVLXHDCHF-KSSFIOAISA-N 400.458 1.858 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1505075096 WXCQPXWZWAVPIA-SNHGZMDHSA-N 416.526 1.610 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507558364 WQKRWZGVMDAKLU-CABCVRRESA-N 411.528 1.081 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCSCC2)CCCC1 1507613682 PCRUZFMVTCCNJR-INIZCTEOSA-N 402.568 1.660 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1507666499 ATXCHDKEERAVJB-HOTGVXAUSA-N 422.455 1.576 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1507732395 VDSNOFZPWQZATD-PMACEKPBSA-N 417.554 1.513 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCOC[C@H]2CCCO2)CC1 1507738268 KTIHFRPZKUVUOB-LJQANCHMSA-N 415.538 1.707 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)C1 1507753718 QOGBTDQRQDEKRX-UHFFFAOYSA-N 418.567 1.072 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)(C)C)CC1 1507867726 BLFINWCJQDLSSN-AWEZNQCLSA-N 401.964 1.853 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1)C1CC1 1507993963 WGBGZDXKHIHJGT-INIZCTEOSA-N 423.583 1.446 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1508017339 PDUKELVCQLBKMC-SFHVURJKSA-N 423.521 1.688 30 10 HDEE C=CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1508167434 IZPYWMHCMJPLSV-WOJBJXKFSA-N 423.583 1.812 30 10 HDEE C=CCSCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1508169297 ZVJGKAPBCNNQGT-WOJBJXKFSA-N 421.567 1.566 30 10 HDEE CN(CCC(F)F)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1517257599 DBIACBZXWLOCOA-LTRYHMRKSA-N 424.452 1.790 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ncn(C)n2)cc1 1518328933 BVJQIRPQRDONSZ-IBGZPJMESA-N 412.429 1.484 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)cc1 1518640729 GSZSINMJFMYQQT-MRXNPFEDSA-N 410.434 1.453 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CCNC2=O)c1 1525957136 WUKVNSIOJLWOIT-AEWZPABSSA-N 406.508 1.744 30 10 HDEE N#C[C@]12CN(C(=O)CCc3nnc(-c4ccc(Cl)cc4)o3)C[C@H]1CS(=O)(=O)C2 1538760583 CQPFZQDFYTVKEC-SCLBCKFNSA-N 420.878 1.719 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539202412 IAZZNFVQHSTCIA-WBVHZDCISA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1C[C@H]2CC[C@H]1C2)[C@H]1CCS(=O)(=O)C1 1539230409 HGIUJNZVAAIUHT-FJIDUMEYSA-N 406.552 1.878 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC[C@@H]1CCCCO1 1539238776 BSYYEDBXSPSIEC-SJORKVTESA-N 407.540 1.310 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(=O)NC)c1 1539263785 PDWVUAUHEQRWOJ-FQEVSTJZSA-N 405.502 1.847 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1539322974 BPPQMEDUWSTHQP-FQEVSTJZSA-N 405.502 1.995 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](OC)C(C)C)CC1 1539445775 FSLCHVYHGYYYPK-SFHVURJKSA-N 414.510 1.432 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC[S@](=O)CC)CC1 1539454548 RWDQNVFZVLNSRH-SSEXGKCCSA-N 424.574 1.874 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539517546 PISXVBIVACCBMX-QFBILLFUSA-N 424.592 1.554 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC)c1 1539556266 AEMNKQRTECZDBI-VQIMIIECSA-N 402.524 1.437 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(NC(C)=O)CC1 1539612310 KNMBCYALHOVXNU-FUHWJXTLSA-N 418.542 1.502 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC1CC1 1540125826 AHTANDCZBWNJCH-SFHVURJKSA-N 408.506 1.948 30 10 HDEE C#CC[C@]1(C(=O)N2CCC(NS(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1540646209 AQMXURIHFJCOLL-LJQANCHMSA-N 413.540 1.320 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1540870138 FXXLHBFEGYZDIS-FUHWJXTLSA-N 402.543 1.395 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540917406 VTWBAZCOPYAFHO-LSDHHAIUSA-N 415.585 1.171 30 10 HDEE C=CCSCCn1c(N2CCS(=O)(=O)CC2)nnc1[C@]1(OCC)CCOC1 1540922653 VBIFKSHMFFCZBM-KRWDZBQOSA-N 416.569 1.084 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2cccc(OCC#N)c2)C1 1540997655 NWBKJTGZJUBYLA-INIZCTEOSA-N 423.491 1.952 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1 1541088219 BMCLNARCCVCFDP-UHFFFAOYSA-N 404.478 1.812 30 10 HDEE CC(C)CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1541507564 KHHLOMDPSRXTRB-HMWBCQRISA-N 415.498 1.238 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc([C@H](C)O)c(C)n2)s1 1545891044 QMCCYIQHFSEOBI-ZDUSSCGKSA-N 409.533 1.828 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1[C@@H]1C[C@H]1CF 1548170260 SOSJKZTYFANGNB-GOEBONIOSA-N 402.478 1.585 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1555557481 UOEHXWGMPAUFIU-YLJYHZDGSA-N 415.498 1.383 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)C(=O)OC 1556375838 UFIUKMFAWFPPNO-OAHLLOKOSA-N 403.435 1.578 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](N3CCOCC3)C2)CC1 1556667526 CVIYCBUAHHADCO-LJQANCHMSA-N 405.539 1.960 30 10 HDEE Cn1cc(O)c(=O)cc1CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1557252980 AXIRGEANVTYYIH-UHFFFAOYSA-N 417.263 1.478 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1557540316 XXWYLCNDTVDGDC-IIBYNOLFSA-N 409.527 1.025 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 1558389746 SVMVIWWWHHMRQW-UHFFFAOYSA-N 412.533 1.193 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC4(CC3)COCCO4)ccc2c1=O 1559027555 DSJJIPJCCOJKPC-UHFFFAOYSA-N 401.488 1.893 30 10 HDEE O=C1C(=O)N(CCC2=CCCCC2)C(=O)N1CC#CCN1C(=O)c2ccccc2C1=O 1559341368 NPUQLYAKATZLIM-UHFFFAOYSA-N 419.437 1.967 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c(=O)n1C 1559448499 CRCCPLSKPKOGFU-FQEVSTJZSA-N 402.454 1.827 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOC[C@@H]2[C@@H]2CCCCC2=O)c1 1566709905 FFMDNKVELQJWQY-WMLDXEAASA-N 408.451 1.723 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)cc1 1569001656 WGGBWGYTUOJRJP-SFHVURJKSA-N 414.443 1.356 30 10 HDEE N#Cc1cccc2c1CCCN2C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1586685711 WFBTZUPYLIJAEI-UHFFFAOYSA-N 424.482 1.272 30 10 HDEE C=CCNc1ncc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)s1 1586690688 XSZCEEBKLOWKBV-UHFFFAOYSA-N 421.567 1.432 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1588065211 VZXDNOPLDWUNMQ-SFHVURJKSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)cc1 1588214174 KQKJYXTWAZHFFR-UHFFFAOYSA-N 415.501 1.880 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1588993827 NXUWJLZPANIDSP-INIZCTEOSA-N 412.519 1.534 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1 1589599811 MUSYFPVPJFNYDE-OAQYLSRUSA-N 421.542 1.580 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCNC(=O)C(C)C 1594943303 NNFQKXVNXFOOPA-UHFFFAOYSA-N 419.555 1.633 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1595501110 MLJKPVBOVJEVHZ-UHFFFAOYSA-N 421.505 1.471 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)NC(C)C 1595603059 WPCHKYNYEVLIEN-GFCCVEGCSA-N 408.413 1.239 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)OC)C1 1595806061 ZXNRRMWDFMYIBY-HNNXBMFYSA-N 412.556 1.857 30 10 HDEE CCNC(=O)CN(C)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1596611238 IMSUPOHMTIYEJS-GOSISDBHSA-N 400.479 1.987 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1612462539 BHMOQHRRJROUSO-FQEVSTJZSA-N 423.456 1.766 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613238229 ODFKBBFZWOFYNA-DDFOHIBDSA-N 401.446 1.760 30 10 HDEE CC[C@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1613419934 FQUHCHSZOSNCMG-XSLAGTTESA-N 406.531 1.461 30 10 HDEE COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1616332734 HOMKPZQLRUVFQM-HOTGVXAUSA-N 422.279 1.282 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)NC 1617267886 GWXAUGWVPBYDLZ-CQSZACIVSA-N 418.523 1.212 30 10 HDEE CN(C)C1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCOCC1 1617651735 GMGKOTCIFWQYIX-SFHVURJKSA-N 423.521 1.239 30 10 HDEE COCCOCCn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620081354 AWWZRYDNQDGRMC-QGZVFWFLSA-N 414.466 1.328 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849465 AENNLRLQLZTMSK-IIBYNOLFSA-N 415.494 1.362 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H](CO)Cc1cnn(C)c1 1623890679 RWRCGZVDPDYIKM-LSDHHAIUSA-N 400.907 1.723 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1627389464 BHXMPMYVIYGPNF-APWZRJJASA-N 406.360 1.799 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1627747397 WESBKZQVYPTWKG-FUHWJXTLSA-N 406.504 1.588 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1630018061 LXNYCNKKVJYETA-YCRPNKLZSA-N 414.462 1.986 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(NCCN2CCOCC2)c(Cl)c1 1631311651 BQFDAUYAHHQOIQ-UHFFFAOYSA-N 415.943 1.415 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2cccc([C@@]3(C)NC(=O)NC3=O)c2)C1 1631331018 PROFYJIMGGWODN-AUSIDOKSSA-N 417.469 1.964 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 1633595944 CCVWDCXFJFWYDJ-HJWRWDBZSA-N 402.414 1.959 30 10 HDEE CN(CC1(O)CCOCC1)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1634111578 RRCAFQWNPZBAPA-UHFFFAOYSA-N 408.296 1.757 30 10 HDEE Cc1ccc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)cc1S(=O)(=O)NCC#N 1635204715 BVUNTSQWNOKGAN-UHFFFAOYSA-N 420.535 1.612 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)NCC2(C#N)CC2)(C(=O)OC(C)(C)C)C1 1635263091 UXMLJJYSFPDMHV-HXUWFJFHSA-N 409.483 1.754 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1635495317 YNWYVKAYFQABQC-LJQANCHMSA-N 422.551 1.453 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCOC(F)(F)C(F)(F)F 1637401232 KAMXNARQMVNXAP-SECBINFHSA-N 415.340 1.513 30 10 HDEE CON=Cc1ccc(C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1637842014 SAPQTNXFQLYQQB-UHFFFAOYSA-N 409.439 1.604 30 10 HDEE C#CCC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCC1 1638993371 PHFIYRYAHNEKBN-UHFFFAOYSA-N 406.504 1.969 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1 1639305524 LBWYBMHNPNGTOP-QGZVFWFLSA-N 412.533 1.190 30 10 HDEE CC(C)C[C@H](NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C(=O)N1CCOCC1 1639906623 XZWWMPUHUMZGIM-SFHVURJKSA-N 410.478 1.329 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)cc1OC 1640564216 OXKYHLDHVHDYRA-UHFFFAOYSA-N 404.463 1.886 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](N2CCC2)C1 1640992853 UZGJEYLBERGYCN-RDJZCZTQSA-N 404.536 1.446 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC(CO)(CO)C1 1641417198 STPKBTPZNAANAT-UHFFFAOYSA-N 413.268 1.302 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)Cn1cc(S(N)(=O)=O)cn1 1642399945 BHJJDCROYCKRRO-UHFFFAOYSA-N 415.269 1.497 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(CC(=O)OCC)cc(Cl)c2=O)c1 1652843292 MIVNBYIWCALCSJ-UHFFFAOYSA-N 415.833 1.937 30 10 HDEE C=CC[S@@](=O)(=NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 1653396772 MHQNJQVMKRJTEM-SLQAJWMNSA-N 419.547 1.939 30 10 HDEE N#Cc1ccccc1NC1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 1655208864 ULWQVJQXWZGAFN-UHFFFAOYSA-N 419.533 1.963 30 10 HDEE Cc1ccc(C[C@H](CO)CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1Br 1655483552 AFWIIKCKEWAKIQ-LBPRGKRZSA-N 407.268 1.279 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1663528081 TXHPWTFXOOJEJL-SFHVURJKSA-N 407.492 1.755 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 1664295772 SKJXCJXRRHDTRK-UHFFFAOYSA-N 402.400 1.708 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1668896656 FMZAMZYOXSJGLX-QAPCUYQASA-N 422.503 1.200 30 10 HDEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2cnn([C@@H]3CCOC3)c2)CC1 1670759207 FVPMGGJWSODKBH-QGZVFWFLSA-N 401.492 1.663 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 1670883486 YYGWVAUFYTVPMU-AWEZNQCLSA-N 424.441 1.687 30 10 HDEE C#CCOCCNC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)CC1 1670940464 NKFVMUMWKVFDSB-UHFFFAOYSA-N 421.563 1.894 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1676155168 CDXLQRHYZGLGML-UHFFFAOYSA-N 403.526 1.450 30 10 HDEE COCC(=O)N1CCc2cc(NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 1676625047 BTIJMDUXAFEJJP-UHFFFAOYSA-N 420.473 1.843 30 10 HDEE COc1cc(CN2CC[C@@H](NC(=O)NCC3(C#N)CCOCC3)C2)cc(OC)c1 1678748742 GYBBYCKXVAWIDY-QGZVFWFLSA-N 402.495 1.898 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3CC)CC2)C1 1685264661 MTKQCTOSMVMQOK-HXUWFJFHSA-N 411.550 1.612 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543404 KNZVTODDFHQFTM-GJZGRUSLSA-N 405.499 1.900 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)nn1 1686847974 RLQGFAZRFHQGQF-UHFFFAOYSA-N 418.885 1.550 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1689873638 QNYIWHBQMBOMNO-LAUBAEHRSA-N 403.527 1.994 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1690003510 PJYVTWZLTSFQHZ-JOCHJYFZSA-N 423.521 1.369 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc2c1OCCCO2 1690025223 JDTMTXSKODJHKX-UHFFFAOYSA-N 419.485 1.683 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1Cc1nnnn1CC1CC1 1690049790 HNRZCAAAGOUTSZ-UHFFFAOYSA-N 401.478 1.172 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccnc(OC(F)F)c2)CC1 1690124815 VBTAEISTSSLPSB-INIZCTEOSA-N 418.448 1.582 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCNC(=O)C(C)C)CC1 1690131066 TUOQOKWOXWSIIR-UHFFFAOYSA-N 414.579 1.848 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1690433004 QTNDTOBUYASYMD-GJZGRUSLSA-N 410.540 1.782 30 10 HDEE C=CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCS(C)(=O)=O)C1CC1 1690544972 GSHNTGHBCRJXMP-KRWDZBQOSA-N 404.492 1.990 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1690592664 FOOOOFGRBGMTTA-UHFFFAOYSA-N 414.510 1.907 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690649771 SNLBASRNUGVGDY-CYBMUJFWSA-N 401.496 1.012 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC[C@H](OC)C1 1690727280 ZEKXVLLEVDEELO-SFHVURJKSA-N 404.536 1.889 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1698487205 DGUNHVIEMLMTDF-FQEVSTJZSA-N 415.519 1.747 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCNS(C)(=O)=O 1705481240 BULFZBUNHUAZHU-LBPRGKRZSA-N 413.450 1.554 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1Cn1cccn1 1705540116 NRNIISSUAOYHSN-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1705565072 SEFVLHIWRJSJGZ-IBGZPJMESA-N 415.563 1.912 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCC(=O)N1CCCCCC1 1705595291 NDHBNDJOTKMQGW-UHFFFAOYSA-N 407.522 1.934 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC[C@](C)(CC)O1 1705629046 WAMHYISTEJIPHZ-UWVAXJGDSA-N 424.567 1.614 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCn1cc([C@H]2CCOC2)cn1 1705630852 JBOFMMJVZJLPSB-PKOBYXMFSA-N 414.510 1.616 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCn2cncn2)CC1 1705633956 DEEPEMYURURFER-UHFFFAOYSA-N 422.493 1.009 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1705768875 CEQMVUAMSHLION-IAGOWNOFSA-N 410.540 1.532 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2C)CC1 1705781046 OCKHUGPQULMIAG-ZDUSSCGKSA-N 407.544 1.381 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1705799281 RNBJPMMRIXSOOH-CVEARBPZSA-N 409.556 1.847 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1cnnn1C 1705833620 NKCQDBDNCULVCE-UHFFFAOYSA-N 400.874 1.661 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCOC2)C1 1705895274 ZZGQBGXLTSTQHN-HXUWFJFHSA-N 404.515 1.116 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(C(N)=O)c2)C1 1705922541 OGLPFRNPQSOVDS-IRXDYDNUSA-N 410.478 1.158 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CC(C)C)CC2)c1C#N 1707807535 CXSNMSMGLSTYSZ-INIZCTEOSA-N 411.514 1.125 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1710905282 DVVYOSKEBVTWRJ-OLILMLBXSA-N 415.519 1.581 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOCC2(CC2)C1 1712700272 DZFANZBAWJNPLO-UHFFFAOYSA-N 401.492 1.478 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2cc(Cl)no2)CC1 1722166984 KZHGAYIRIIZWGK-JSEZXORMSA-N 403.866 1.818 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1722277425 NITSHNZHICRQEK-UONOGXRCSA-N 422.530 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1722290970 HNXQMFVZYFQLQM-AWEZNQCLSA-N 420.473 1.805 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC 1722387102 GIYBIWNBXLKYRY-UHFFFAOYSA-N 406.490 1.819 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[S@](=O)CC 1722406341 XKXLDUYPTNRSJC-AREMUKBSSA-N 408.549 1.577 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC[C@H]2COCCO2)CC1 1722446941 BWDHLORYHYJBAJ-IBGZPJMESA-N 415.538 1.707 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2C[C@H]2C)CC1 1722449848 QZIIVVAMKDIGNE-DNVCBOLYSA-N 409.538 1.762 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCOCCOC 1722473977 KAXVUXUDIZQLNI-FXAWDEMLSA-N 424.567 1.616 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722498679 CLMYANGSZGUDHV-FUHIMQAGSA-N 424.567 1.480 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1722614446 NSGVSKVKBAHVAW-UHFFFAOYSA-N 418.509 1.942 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1722625046 NLABHCXVKWKPGW-GOSISDBHSA-N 414.510 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2Cl)nnc1N1CCNC(=O)CC1 1722726010 WWGZONKHAPZAGV-UHFFFAOYSA-N 423.926 1.526 30 10 HDEE COC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1)OC 1730476059 ATQYSXIFDWDUFN-IRXDYDNUSA-N 421.885 1.901 30 10 HDEE COCCCn1c(CC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730703633 OHZFCBYDFMDNAB-UHFFFAOYSA-N 400.531 1.753 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)CN1CCCC1 1730874224 HZYQNSJGQFUWAU-RCCFBDPRSA-N 406.531 1.463 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1740578778 GHNMYPZQKDWKNP-UHFFFAOYSA-N 413.526 1.757 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 1740606381 AXDVKPNXKRQMNX-LJQANCHMSA-N 418.549 1.959 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncccc1N(C)C 1740629237 GMRXGESMXRXMQF-UHFFFAOYSA-N 414.473 1.508 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740761496 XDZSGXWVAFMZPD-XLIONFOSSA-N 404.559 1.468 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1740792688 LBDNSGJTDWRFSM-QGZVFWFLSA-N 416.526 1.317 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740800565 GBYXFLNIVFLTKM-ZDUSSCGKSA-N 403.936 1.572 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740884323 XGVGVPLONDHFKA-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1740889946 NRVCLIRIKKWBRZ-NXOAAHMSSA-N 422.482 1.709 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740960806 BSNMJUPJOASKQO-RBUKOAKNSA-N 422.533 1.537 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2cscn2)CC1 1740965321 HHTZRDZPIKUZCE-MRXNPFEDSA-N 417.539 1.211 30 10 HDEE CCc1nn(C)c(CC)c1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1 1744515420 CMSGATGICOWCDP-HNNXBMFYSA-N 408.510 1.919 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H](C)CN1CCN(CC)CC1 1747110856 BBXHDALLDNOYBT-FXAWDEMLSA-N 407.538 1.530 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747862886 LCFLXEFBAAWUDT-UDJKBAMHSA-N 423.477 1.339 30 10 HDEE COC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)CCCC1 1748493378 HEUXYWAWBFRNLT-MAUKXSAKSA-N 424.571 1.978 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCOCC2)C1 1748717905 LKARCCZNKKJFDZ-QGZVFWFLSA-N 422.551 1.370 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCNC2=O)CC1 1748724811 IVPMAKVZVLVSRX-UHFFFAOYSA-N 424.553 1.937 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1748819427 OMCBIKMXIMRBTG-ZWKOTPCHSA-N 413.547 1.937 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1748824107 JBFSWFCBQOJFDN-KRWDZBQOSA-N 418.519 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccsc1)N(C)C 1748851848 PSSRSSLYDMEJQO-GOSISDBHSA-N 410.547 1.838 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCC(O)CC1 1748941054 VRWDCRLWMACPMX-HKUYNNGSSA-N 405.543 1.308 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@H]2CCOC[C@H]2C)n1 1748971137 DVVZYMNQWBDZGN-QZTJIDSGSA-N 400.527 1.996 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC2CCN(CCN(C)C)CC2)CC1 1748972230 CZWCKWSRGPJVNF-UHFFFAOYSA-N 401.603 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC(C)(C)CN(C)C)CC1 1749009041 LBUIQZPSELOLCP-UHFFFAOYSA-N 411.554 1.827 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C(C)=O)CC1 1749119049 MQIIGAIRPHJEEM-UHOSZYNNSA-N 421.542 1.652 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C 1749159056 NXRNCRUFQOBWJI-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](c2ccco2)C1 1749721830 UWFVKLUHIJLTOH-OAHLLOKOSA-N 421.523 1.604 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC2(CCC2)C[C@H]1CC 1749731949 OCAMEEPBIMDXEK-HZPDHXFCSA-N 421.567 1.989 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCOC1 1750060671 IGJDZGLEMASUFN-PXAZEXFGSA-N 423.315 1.793 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(O)CCSC2)cs1 1751777634 SWGVGJUKOQKHGT-SJORKVTESA-N 408.528 1.944 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1760117358 OBUGDLUOURYWIK-UONOGXRCSA-N 423.926 1.766 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1760138060 QLTKUSJFTLJNPV-OKZBNKHCSA-N 406.552 1.847 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1760153530 UHRKTMWIVOVFEJ-ROUUACIJSA-N 410.526 1.768 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1F)[C@@H]1CCS(=O)(=O)C1 1760191836 ADXBZTNOPOTTNE-MRXNPFEDSA-N 424.473 1.768 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(CS(C)(=O)=O)c1 1760201510 UGLUJCJEBHFZED-UHFFFAOYSA-N 422.514 1.344 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CC(=O)NCC=C)CC1 1760257324 UEIBLMYBFIFAST-FQEVSTJZSA-N 406.534 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(COC)c2)CC1 1760259716 GGQQIQCDQQYUTO-LJQANCHMSA-N 408.506 1.179 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)OC(C)(C)C 1760456076 GSSKXAXCNXSWCW-LBPRGKRZSA-N 402.521 1.035 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCOC[C@H]1OC 1760461584 ZQTICYPTIZGPDD-CRAIPNDOSA-N 424.505 1.866 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@H](COC)C1 1760518021 GCLMDJNQWGVQBB-INIZCTEOSA-N 405.886 1.752 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@@H]1CC 1760518660 YOQXIVYXEDCFOF-RDJZCZTQSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](COc2ccccc2)C1 1760520952 FNHABMIAQSFVAR-SJLPKXTDSA-N 424.505 1.437 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760548697 NGNAGAJREUOPDE-KBXCAEBGSA-N 411.528 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCCC2)C1 1760550234 VECNKFBIKRBUGU-SFHVURJKSA-N 402.543 1.668 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)OCC)CC1 1760552577 SUOSIHTYCPLGTB-UHFFFAOYSA-N 422.511 1.153 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1760689893 GWJXHLIDIRPWCP-INIZCTEOSA-N 407.478 1.662 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)cs1 1762297297 STHNBPCEKQYCKG-ZIAGYGMSSA-N 410.450 1.787 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1763111942 AMNKQSQSCKOGBD-UHFFFAOYSA-N 418.505 1.489 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1767706273 XCEIAEACOKYDSG-SFHVURJKSA-N 407.482 1.899 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C 1772522824 AWHYYIANVMTZGL-HRAATJIYSA-N 405.510 1.863 30 10 HDEE CN1C=N[C@H](C(=O)Nc2ccc(C(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc2)C1 1851215464 MZADZABBADTLQJ-NRFANRHFSA-N 416.485 1.801 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(C)c4)n3[nH]2)CC1=O 1852237258 LNVZRTYASVYVIZ-CVEARBPZSA-N 420.473 1.968 30 10 HDEE Cc1c(C#N)c(Cl)nc(NC(=O)[C@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1852238090 XPKLPQLUBUZORI-LBPRGKRZSA-N 400.870 1.668 30 10 HDEE COc1ccccc1N1CCN(C(=O)CO[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1 1852630435 VFRHSGXYEIIVGP-SFHVURJKSA-N 423.473 1.447 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)N1CCN(CCC#N)CC1 1852649692 KVCZRBJIIIDUCU-GOSISDBHSA-N 410.515 1.577 30 10 HDEE Cc1nc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1 1852671659 PNLPJXHIYSTSQL-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1Cc1nc(-c2ccccc2)no1 1853653498 VVFYSYCPDBLSTF-CQSZACIVSA-N 402.414 1.876 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1853746438 KAARLSJGFGPUNM-MSOLQXFVSA-N 400.523 1.778 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)c2ccccc2N1CCC#N 1853969125 LGVSJVQRYUFMEQ-HNNXBMFYSA-N 418.519 1.730 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1F 1854024054 OVTSRLNASMIXOB-UHFFFAOYSA-N 417.418 1.379 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCC[C@@H]3Cn3ccnn3)CCC2=O)cc1 1854191200 VLYIYQQIXRYUAK-WOJBJXKFSA-N 406.490 1.622 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCCN(C(=O)[C@@H]4CCCO4)C3=O)CC2)CC1 1854371056 SCLTYRNUROTXGI-MOPGFXCFSA-N 416.522 1.157 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CC(c2ccccc2)c2ccccc2)C(=O)C1 1854472558 AREUESQTNGXKLE-UHFFFAOYSA-N 411.483 1.733 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](N2CCC(CC#N)CC2)C1=O 1856546619 GJNMOODOXASIAE-KRWDZBQOSA-N 403.504 1.847 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3COCCO3)C(=O)C23CCCCC3)c(F)c1 1856600228 KGNIUTXHPFZNAD-IBGZPJMESA-N 415.465 1.986 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1857489867 JVQKARJRMZBGPX-HKUYNNGSSA-N 419.547 1.723 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1858419816 PMSKNJOMDDYOMS-CYBMUJFWSA-N 411.443 1.789 30 10 HDEE CSCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 1869929254 DGZOTSZJKPZWSX-MRXNPFEDSA-N 424.592 1.399 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1870098161 PVQZACWNVUGFIJ-UHFFFAOYSA-N 400.376 1.857 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccnc1 1874338567 WZIXXZOAULLOKN-IEEVUCOHSA-N 402.480 1.545 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1/N=C/c1ccc(Cl)cc1Cl 1874432533 KNDMMKHXSMDOSK-PTXOJBNSSA-N 401.279 1.681 30 10 HDEE CCOc1cc(/C=N/n2c(CNC(C)=O)nnc2SCC(=O)OC)ccc1O 1874434152 QFGJBPXNFZOTMY-UFWORHAWSA-N 407.452 1.166 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(OC)c1 1874436249 SGMKIOCNGDIMFN-AWQFTUOYSA-N 421.479 1.556 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c([N+](=O)[O-])c1 1892100749 DWRUDUDTSMWSCN-CYBMUJFWSA-N 419.419 1.497 30 10 HDEE CO[C@@H]1[C@H](OC)CN(C(=O)OC(C)(C)C)[C@H]1C(=O)NCB1OC(C)(C)C(C)(C)O1 1897962322 ICEBIVQSYFLILQ-MGPQQGTHSA-N 414.308 1.383 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 1900474449 GLWWCBWSKOUWEZ-UHFFFAOYSA-N 419.234 1.193 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1960402324 DNJJFKVVYRPRHJ-CAOSSQGBSA-N 410.515 1.848 30 10 HDEE CC(C)(C)OC(=O)NCC=CC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985102121 BYPPGOBJMORGRS-UHFFFAOYSA-N 404.276 1.795 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)[C@H](C)CC1=NO 2032025589 SNHIWKDVNRGKPP-ZIAGYGMSSA-N 407.492 1.953 30 10 HDEE C=C[C@]1(CO)COCCN1S(=O)(=O)c1ccc(I)cc1 2199876094 DKVLWFVBWJIKAV-ZDUSSCGKSA-N 409.245 1.229 30 10 HDEE C=CC[C@@H](CO)CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2201843897 JKLIXHFIGZYMFI-ZIAGYGMSSA-N 404.529 1.100 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(C)(NC(=O)OC(C)(C)C)C1 2247838103 CQQVPFMONBKXQB-UHFFFAOYSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)nn1 2248404934 QBWQDSWPWPLMNL-UHFFFAOYSA-N 421.307 1.720 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248411723 BGWHMLOYOLVMDV-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)NCC(C)(C)CC#N)NC(=O)OCc1ccccc1 2258165294 FCAQAZYLAFNODE-HNNXBMFYSA-N 411.480 1.314 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3C[C@H]2CS3)OC1(C)C 2267411554 ANCHBYAODHYRHC-WDEREUQCSA-N 402.372 1.462 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@H]1CCCC[C@H]1C#N)NC(=O)OCc1ccccc1 2270504012 NALHZRNBRXLDLH-YESZJQIVSA-N 423.491 1.456 30 10 HDEE Cc1sc(C(=O)NC[C@H](C)S(C)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281938369 NAIHZKXOLXZCTA-JTQLQIEISA-N 401.359 1.827 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](C3OCCO3)C2)ccc1B1OC(C)(C)C(C)(C)O1 2281989979 HFRRSVDOWTXEIG-OAHLLOKOSA-N 403.284 1.829 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCNC[C@H]3F)cc2Cl)OC1(C)C 2282305420 YOPSBNQRBSIVHH-GHMZBOCLSA-N 424.756 1.679 30 10 HDEE CC(C)(O)[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332261 YIHQYIBSOWLYIO-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CN(c1nnnn1C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282409769 RQABGBPZRDHOKQ-UHFFFAOYSA-N 419.725 1.049 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CC[C@H](O)C2)OC1(C)C 2282502146 HEPMWADDNVCOAD-JSGCOSHPSA-N 401.359 1.628 30 10 HDEE CN(C)[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282614679 TUSMQMIIAHNKMU-NWDGAFQWSA-N 400.737 1.760 30 10 HDEE CO[C@@H]1CN[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282617078 DCIQFSNDANCNAO-QWRGUYRKSA-N 400.737 1.807 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282669535 VJHIGPXVEARKBN-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@](C)(CO)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282829799 KKYYRWGJFVUZTG-HNNXBMFYSA-N 411.301 1.650 30 10 HDEE CC(C)[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848095 IZAXUYRVRDNVQC-SWLSCSKDSA-N 401.359 1.827 30 10 HDEE CS[C@H]1C[C@@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282851138 YFXZWGUHGUKGTH-TXEJJXNPSA-N 401.363 1.139 30 10 HDEE C[C@@H]1CC[C@@](CO)(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851418 BKAHWXPLGWWEBI-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1OC 2282862065 YCZTVPXQNORQGT-STQMWFEESA-N 403.331 1.082 30 10 HDEE CN(C1CCOCC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866297 GZBJEIZPBTZVGH-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](C)[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282872310 UXARCQKSDXPNQF-UXMMLNGASA-N 421.415 1.709 30 10 HDEE C[C@@H]1OC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282883398 ZYFOMZVCECEALN-DYEKYZERSA-N 401.359 1.890 30 10 HDEE C[C@@H](C#CC(=O)Nc1nc(O)nc(O)c1Br)NC(=O)OC(C)(C)C 2302380120 ITLJRPVCBXAEBH-ZETCQYMHSA-N 401.217 1.505 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2302859965 ROEXSBOVDXQUNU-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@@]2(O)CC[C@H]2NC(=O)OCc2ccccc2)CCC1 2319397985 MCWZRAFYRPDHGF-QKLQHJQFSA-N 406.504 1.104 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccn1C 2329035149 KVWBVQZNVWBYTI-ZDUSSCGKSA-N 404.496 1.488 30 10 HDEE CC(=O)N[C@@H](CS)C(=O)Nc1cc(F)c(I)c(F)c1 2341213844 HUDQAMRDUXXKGN-VIFPVBQESA-N 400.188 1.942 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]3[C@@H]4CO)cc2Cl)OC1(C)C 2359272654 IIKCFUGHZRBMSD-UMNHJUIQSA-N 419.761 1.702 30 10 HDEE C[C@H]1CN(C(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)S1(=O)=O 2362565405 DTJLFRFZWNMZCS-PHIMTYICSA-N 400.331 1.090 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365212781 RIXADPTXRWRWFV-SPYBWZPUSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)COCC1(C)C 2367792219 MNOFTDVLNHHPAA-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367793035 AQXXKFNDWBNSRS-BZUAXINKSA-N 401.525 1.590 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367796803 KBKKMDJLCIJURO-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1OC 2367801536 TWUHCYIMGWPUAN-XHSDSOJGSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2367822098 ZVGMKWSZSWFDKU-QMTMVMCOSA-N 400.541 1.163 30 10 HDEE Cn1c(N2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)c(C#N)c(=O)n(C)c1=O 301124640 NTGOPJYFEHFBNH-ZDUSSCGKSA-N 410.409 1.529 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 438826952 HDQHPOIJCUPEGO-SFHVURJKSA-N 406.490 1.892 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@H](C)Cc1ccc(O)cc1 440312596 INOXAXVERANCRI-OAHLLOKOSA-N 418.457 2.181 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)n(C)n1 444530886 FRBSZXAAVFCXOV-KRWDZBQOSA-N 404.478 1.767 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461324885 SJRFQLKDTOIDAC-KBPBESRZSA-N 421.461 1.824 30 10 HDEE CC1CCC(NS(=O)(=O)CC(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 461748155 TYDUYQRICKQMTK-UHFFFAOYSA-N 402.480 1.576 30 10 HDEE COc1cc(OC)c(Cn2nccc2NC(=O)[C@H](C)n2cnc(C#N)n2)c(OC)c1 464097150 SXINZISGBRVTRP-LBPRGKRZSA-N 411.422 1.620 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)c1c(F)cc(C#N)cc1F 466323901 FNFAPGBOESGCDI-VIFPVBQESA-N 413.427 1.624 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)CC1 471880867 BORYLIOCQUDSLJ-UHFFFAOYSA-N 414.915 1.195 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(C#N)cn1CCOC 481357636 HXARYJJBANCKQI-LBPRGKRZSA-N 402.455 1.967 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@H](c2ccsc2)C1 482804409 ZTVSEZNGGLMFFP-GUYCJALGSA-N 405.501 1.887 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1F 486446320 LRDJCYQPHFFLPG-UHFFFAOYSA-N 418.454 1.355 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 490042233 IGKKAZDQLWDGJQ-CQSZACIVSA-N 407.473 1.199 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1 502036261 MTLKNEQOOXKMCE-OALUTQOASA-N 410.499 1.435 30 10 HDEE Cc1oc(C2CC2)nc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 505249916 XDIIYQYUCHQQQO-UHFFFAOYSA-N 400.460 1.879 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)Cc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506841357 RDJJIWGDQIACRR-HXUWFJFHSA-N 420.517 1.483 30 10 HDEE C=CCn1c(-c2ccco2)nnc1S(=O)(=O)CC(=O)N1CCO[C@@H]2CCCC[C@@H]21 506946429 SSPCINSIDSXWDO-LSDHHAIUSA-N 420.491 1.668 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 509002063 YSZUOHIJGQDMAI-OCCSQVGLSA-N 421.527 1.719 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(CC)c(S(N)(=O)=O)c3)cc2C1=O 519290699 FVIUPROPAPCNSW-UHFFFAOYSA-N 413.455 1.931 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2cccc(Cl)c2)CC1 522320938 SYAHJYGEQJMMGL-YLJYHZDGSA-N 418.925 1.306 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 541522807 YAVOKMRQUDWLKH-SFHVURJKSA-N 405.462 1.375 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(c2cccnc2)C1=O 542276473 SOHXZVSUOYFVKB-LJQANCHMSA-N 417.473 1.857 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2ccccc2)c1=O 556785762 HUDSRFLVBLOQMP-UHFFFAOYSA-N 418.522 1.872 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 577667512 TZGCSVSLRGIPSC-UHFFFAOYSA-N 424.505 1.006 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCC(c2nc(O)n[nH]2)CC1 583522879 BHWXTKSQJOMVLC-UHFFFAOYSA-N 415.498 1.655 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)O[C@@H](C)COC)cc21 586312419 GMPWFRADPXPIGW-CFJPQMKISA-N 409.460 1.108 30 10 HDEE COc1ccccc1OCC(=O)N1CCN(CCOC(=O)c2cccc(C#N)c2)CC1 586394200 KQOWSSWVEMQADV-UHFFFAOYSA-N 423.469 1.947 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=S)NCCNC(=O)c2cccc(C#N)c2)CC1 586414248 FUCDTSLOIARDQW-UHFFFAOYSA-N 417.535 1.715 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(C(=O)N3CCCC3)c2C)CC1 605414197 HPKHAZOXWLNRKZ-UHFFFAOYSA-N 413.522 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CS(=O)(=O)C(C)C)c2)CC1 605417878 BAKSKMLTMGGCFO-UHFFFAOYSA-N 422.551 1.462 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccc(Oc2cccc(F)c2C#N)cc1 609517908 FBVLTHUMYWTODZ-GOSISDBHSA-N 424.432 1.956 30 10 HDEE N#Cc1ccc(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)cn1 609641491 ZMPJMEQQUISIPZ-UHFFFAOYSA-N 400.460 1.045 30 10 HDEE N#Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)nc2n1CCS2 609814415 JOUDPVIYCZBYRJ-UHFFFAOYSA-N 417.516 1.900 30 10 HDEE Cc1cccn2c(=O)c(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cnc12 611338165 JCZFIXXIPRIMHJ-UHFFFAOYSA-N 404.430 1.702 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(C#CCO)c(F)c1 703969175 HIGDZIDPGAROIU-UHFFFAOYSA-N 402.403 1.207 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)[C@@H]1CCS(=O)(=O)C1 729331049 IYQJQOXJDIXBDQ-HZPDHXFCSA-N 408.907 1.337 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 729334809 VYTYWZWYIBQRQC-HKUYNNGSSA-N 420.506 1.256 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 731619953 ZVNMTWBBLLTORT-JHJVBQTASA-N 407.330 1.121 30 10 HDEE CN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(C2CC2)C1 732166761 SEZVVXBNLAVHOF-QGZVFWFLSA-N 418.563 1.981 30 10 HDEE CN(C)CCN(Cc1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465193 DLNZZAQKBIUERT-VHEBQXMUSA-N 403.458 1.425 30 10 HDEE C#CCCNC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(Br)cc1 733287197 ISCRVTUEZIWUDN-CQSZACIVSA-N 419.366 1.989 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 734272097 AUUJGFWKVFEHLS-MRXNPFEDSA-N 415.494 1.334 30 10 HDEE COc1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C#N 742367468 WCLXHFSZZWWAPS-UHFFFAOYSA-N 407.517 1.939 30 10 HDEE COc1ccc(CNC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)cc1C#N 747446968 OOTRSIGNZVZRQC-UHFFFAOYSA-N 410.474 1.800 30 10 HDEE C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 749213552 WSGUDTOMCLWINB-UAHGDZPKSA-N 405.484 1.301 30 10 HDEE C[C@H](C(=O)NCCNc1ccc(C#N)cn1)c1ccc(S(=O)(=O)N(C)C)cc1 752412633 GTMDXFIABMEXON-AWEZNQCLSA-N 401.492 1.535 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614336 LAJXZOUKJCQNMP-IFXJQAMLSA-N 409.508 1.638 30 10 HDEE CCc1c(C(=O)OC[C@H](C#N)Cc2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 754548508 XFHZRHDMJABEPA-HNNXBMFYSA-N 406.442 1.734 30 10 HDEE Cn1nnc2ccc(C(=O)NS(=O)(=O)c3cc(Br)cc(C#N)c3)cc21 755715287 BOWLZBVIUIOFEH-UHFFFAOYSA-N 420.248 1.721 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 759274453 ZWFGRBHDZOARRP-OAHLLOKOSA-N 402.451 1.396 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CC=CC2)C1=O 759698030 YVXGQXZIRVVPHX-JQBIEYAESA-N 415.563 1.711 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767880545 KMZSTDJSBJDTKG-UHFFFAOYSA-N 408.508 1.196 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 770205381 KQOWMUNSKMXABD-UHFFFAOYSA-N 400.483 1.748 30 10 HDEE C#CCN(C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1)[C@@H]1CCS(=O)(=O)C1 774195702 KSFCKVLUZGGBLS-YLJYHZDGSA-N 419.547 1.239 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)cc1 780936263 ZNGKCUQRQWUCGJ-HSZRJFAPSA-N 418.497 1.715 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)[C@H]2C 784696841 IPSCXOYLKJRUMK-ZDUSSCGKSA-N 416.507 1.434 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCC(O)(c3cccnc3)CC2)n1 789203625 RBJYRXSYVFSYAB-UHFFFAOYSA-N 411.506 1.900 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cc(OC)cc(C)n1 789968897 SIFIBNZQQVIMEM-CYBMUJFWSA-N 401.496 1.875 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)c2ccccc2)n1 790108786 GLQIISFPSGOATI-IBGZPJMESA-N 412.515 1.707 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccc(C#N)cc1F 790824222 KAXWCKYPQGBOJR-UHFFFAOYSA-N 423.491 1.840 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@]4(C[C@H]5C[C@H]4[C@H]4CCC[C@@H]45)C3=O)CC2)n1 799138446 BKNULKNFPZVLLC-OYQWSTANSA-N 420.517 1.779 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 799281401 DMMKNXBQELDXKU-MRXNPFEDSA-N 401.430 1.797 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCc2ccccc2)CCN1C1CC1 802289956 PPSRJMQOWISSDK-HXUWFJFHSA-N 419.533 1.933 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCCO2)CC1 802691224 CLVRCEHUWGTYQV-INIZCTEOSA-N 419.489 1.528 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)cc1C#N 805735359 FYJMYDFOWOTIFF-CYBMUJFWSA-N 404.467 1.460 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(F)F 808316272 GTTXOCYUPTYOJU-CHWSQXEVSA-N 410.487 1.899 30 10 HDEE COc1cccc(C(=O)COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 811125461 YMHVCCHQRBBXTA-INIZCTEOSA-N 422.397 1.593 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCC(=O)N2 918357781 OFWJPGNQEJDXON-UHFFFAOYSA-N 400.416 1.085 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)n1 1116726727 UOCHBEIEPNROCK-CQSZACIVSA-N 412.471 1.903 30 10 HDEE Cc1nc(=NC(=O)c2nc(S(C)(=O)=O)ccc2Cl)n(-c2ccc(C#N)cc2)[nH]1 1126420465 UPZBMFXFQBARHG-UHFFFAOYSA-N 416.850 1.574 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(C(C)(C)COC)CC2)ccc1F 1129926356 SJJBJPOLNGJOMW-UHFFFAOYSA-N 413.515 1.473 30 10 HDEE CCS(=O)(=O)N(C)CC(=O)Nc1ccc(C#N)cc1I 1133967287 MITZYFPYBISVKM-UHFFFAOYSA-N 407.233 1.383 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@](F)(C#N)C3)CS(=O)(=O)[C@@H]2C1 1138251946 PALBLYQDYHVGDG-MMQJMDILSA-N 415.487 1.121 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C(=O)/C=C/c3ccc(F)cc3)C2=O)c1 1139683888 LBODBMHNGMFLOQ-OGECGYFKSA-N 411.389 1.915 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)s1 1139785171 OTHPESZLWHQPJU-UHFFFAOYSA-N 420.516 1.835 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1COC(=O)N(C)CC)c1cc[nH]n1 1140164992 GSUMINHLJLPIPO-AWEZNQCLSA-N 423.470 1.163 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@@H]3CCN(C(N)=O)C3)C2)C1 1157169906 WHEYBVIBHXBNID-UTFQJDELSA-N 405.499 1.290 30 10 HDEE O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N[C@H]1CCCN(O)C1=O 1159641436 LRLHFMWOTAWCEH-ODUNQGDFSA-N 423.491 1.913 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3cc(S(N)(=O)=O)ccc3O)CC2)c1 1164154983 HLJCBIVWYIZLFI-UHFFFAOYSA-N 414.487 1.306 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCN2C[C@@H]3CCCCN3C2=O)c1 1192884718 NHZJASBPNAGKES-INIZCTEOSA-N 406.508 1.171 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196643553 JMLGDZATWFUJSJ-UONOGXRCSA-N 415.899 1.860 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)C1 1248674986 BXLPLTJGYKZMJD-LJQANCHMSA-N 407.522 1.864 30 10 HDEE N#Cc1ccc(CCNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1 1252977091 FTABRSICHABXRO-UHFFFAOYSA-N 413.503 1.280 30 10 HDEE C[C@@]1(C[C@H]2CCCN2C(=O)NC2CCN(c3ccccc3C#N)CC2)NC(=O)NC1=O 1253867731 PUDCOVZJNHBKSC-VGSWGCGISA-N 424.505 1.689 30 10 HDEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)NCC#CCN(C)C)CC1 1256580625 VAGHHPKSLJPUIM-GOSISDBHSA-N 400.523 1.435 30 10 HDEE COC(=O)N1CCC(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1270332622 BMYXIQRSOVUYEJ-ZDUSSCGKSA-N 404.854 1.912 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCOCC1 1286291748 YDQFFWDXQRWEMS-HNNXBMFYSA-N 422.489 1.983 30 10 HDEE C#CCCCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OCC)CCOC1 1286357609 LPTWDEJMPMHBLD-MDZRGWNJSA-N 412.556 1.601 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC1CC1 1286379813 CIWMJOJSAIMOPS-IYBDPMFKSA-N 416.526 1.644 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1Cc2ccccc2O1 1286453521 VBDFSFGCXZWOFD-HOCLYGCPSA-N 403.508 1.352 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286474780 LLVQIYDCVDJIQB-QGZVFWFLSA-N 417.535 1.427 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286479231 GHEOBIXWEZNHRH-UXHICEINSA-N 400.571 1.658 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC[S@@](=O)C(C)(C)C)CC1 1286479933 QSDRQSAFEFKBRL-GDLZYMKVSA-N 414.579 1.951 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286559276 VSZPCRNHQICMDV-JXFKEZNVSA-N 402.543 1.222 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@@](C)=O)CC2)CC1 1286664588 YUQSTJOHEDOCLJ-QWXGXRTQSA-N 412.581 1.494 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286697408 MMXPKSZWJYEMDL-LJQANCHMSA-N 411.554 1.993 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1)C1CC1 1286738555 WVHDWOZTHOAJEF-PTFIGZPYSA-N 412.581 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2noc(CC)n2)C1 1286807923 HOKFTZWJXCFHRT-KGLIPLIRSA-N 401.471 1.199 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1288526267 UGTDRQHXOCLJRN-AWEZNQCLSA-N 410.457 1.957 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(Cn3cnc4ccccc43)cc2)c(=O)nc1O 1292337729 APNAHRQRHRUKBX-UHFFFAOYSA-N 400.398 1.857 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(N)=O)c1cccc(Br)c1)C(=O)OC(C)(C)C 1292384873 ZLOXENSVKGPDJY-OAHLLOKOSA-N 424.295 1.962 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@@H]1C 1296149855 LEWFIIFVKITGFP-INIZCTEOSA-N 406.498 1.424 30 10 HDEE CN(C)C(=O)CCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1297994802 GJCVDZAXSGIWHZ-UHFFFAOYSA-N 410.526 1.647 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1300308244 NUXHAAOZDPAKSU-WBVHZDCISA-N 405.568 1.513 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300382671 YWWULTKIIIDABO-NXOAAHMSSA-N 404.467 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1300572663 ZJZZMBVJELNDRV-HXUWFJFHSA-N 416.478 1.097 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc3cccnc23)n1CCS(=O)(=O)N(C)C 1300613528 JITQJLDIWCIDEF-UHFFFAOYSA-N 412.519 1.844 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC(F)(F)F 1300618854 NLLOOTRTNOPFBL-UHFFFAOYSA-N 412.372 1.144 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(OC)c(OC)c2)CC1 1300710535 FILHTTNGRHJYMV-LJQANCHMSA-N 411.506 1.950 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CC(=O)N1CCOCC1 1300894447 BZKPXUNPGKVTJC-ZHALLVOQSA-N 419.526 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1301585669 DFYGSGKRECIBSD-OAHLLOKOSA-N 422.511 1.101 30 10 HDEE COCCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)cn1 1301849784 FAZPGPKZGCSFPR-SFHVURJKSA-N 420.477 1.020 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCOc1ccccc1 1301952148 HORMXQSWRWXEKE-GJZGRUSLSA-N 406.512 1.563 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1301968397 LTMWQNIHWLXPGA-MSOLQXFVSA-N 403.575 1.794 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CCC(=O)N2)CCO1 1303005415 ZEVNGMWJUJHZHL-OLZOCXBDSA-N 402.405 1.154 30 10 HDEE CC[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N)N1CCCC1 1305803755 DDGPBHMYEPXCBI-HRCADAONSA-N 411.576 1.501 30 10 HDEE COc1ccc([C@H](C)NS(=O)(=O)N2CCO[C@H](C#N)C2)c(Br)c1 1309361286 DWGFXAYYQLKNNG-CMPLNLGQSA-N 404.286 1.577 30 10 HDEE N#Cc1ncn(CCNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)n1 1312663351 VHOUIIJRDMKZNN-HUUCEWRRSA-N 407.400 1.512 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1313493384 YARZTUOHXFTHNV-IAGOWNOFSA-N 407.478 1.058 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C1 1315087248 CVCWFRDTCORODZ-QGZVFWFLSA-N 408.462 1.342 30 10 HDEE Cn1nc2c(c1C(=O)NCCSCc1ccccc1C#N)CS(=O)(=O)CC2 1349256225 KDXXLSIOEKZTSZ-UHFFFAOYSA-N 404.517 1.426 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1358886690 JBFOBUPJSQESKB-AWEZNQCLSA-N 412.494 1.722 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)(C)C)n2CCn2cncn2)c1 1358901836 XYEAYNREXAMTTQ-UHFFFAOYSA-N 406.494 1.924 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1358999476 SGTRLCONQPGQNP-UHFFFAOYSA-N 404.478 1.894 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCOC2CCOCC2)CC1 1359034639 YONWYKSGTOIVTP-UHFFFAOYSA-N 411.510 1.076 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1359054424 VLQSJYLGGXGCQU-GOSISDBHSA-N 412.563 1.865 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C1 1359317069 BCXILLWBFPNGCK-LJQANCHMSA-N 422.489 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)CC(=O)NC(C)(C)C 1359330440 ROZGQRHWAALMOC-UHFFFAOYSA-N 420.539 1.292 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1cccc(F)c1 1450306124 APNXXYLUCNQAQL-DYVFJYSZSA-N 405.451 1.084 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Oc2cc([S@](C)=O)c(C)cc2OC)cc1 1451877935 GKBGCGDGSUYFJW-MHZLTWQESA-N 421.496 1.872 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3ccc(OC)cc3)C2)cc1 1454589199 VWXQFZPZMCHFHX-HXUWFJFHSA-N 413.499 1.393 30 10 HDEE N#Cc1ccnc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 1458731923 KSIRWJXABOZDLN-UHFFFAOYSA-N 404.404 1.461 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 1460178255 DAXMHILDPJOXQN-KRWDZBQOSA-N 410.430 1.664 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 1464292186 DTAXTSRUAWAEBE-UHFFFAOYSA-N 403.442 1.976 30 10 HDEE CS(=O)(=O)C[C@H](C(=O)NC1CCN(c2ccc(C#N)cn2)CC1)c1ccccc1 1464757070 ARIZILYULIULLW-IBGZPJMESA-N 412.515 1.867 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2 1467702213 VNRIKFKMHLEORS-BXTJHSDWSA-N 409.483 1.612 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 1468503281 CCAYDIWWHXVDSK-GOSISDBHSA-N 417.941 1.385 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1470200818 DHZWLEZWQMKAFO-SJORKVTESA-N 422.507 1.038 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CCOc3ccc(S(N)(=O)=O)cc3)C2)c1 1470618406 MLKDIISKGSAUBH-UHFFFAOYSA-N 400.460 1.297 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322280 CQTNOVXKQDFDFC-DLBZAZTESA-N 409.527 1.866 30 10 HDEE N#Cc1ccc(Cn2cnc3ccc(S(N)(=O)=O)cc3c2=O)c(Br)c1 1473088001 OKQAGAIDSXEDGQ-UHFFFAOYSA-N 419.260 1.726 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494341528 DBVAYTNTQJTSSX-MCIONIFRSA-N 405.480 1.307 30 10 HDEE CCc1nnc(N2CCC[C@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499067121 CHOUTZVGWPMCRA-JVMRMLDLSA-N 414.510 1.762 30 10 HDEE CCOCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1503170678 QKHKLCPYTTVWNX-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE CN(CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1503594172 BWPGMNNIHGJQCK-QZTJIDSGSA-N 415.542 1.613 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@H]2CCCO2)CC1=O 1503682606 LPSFOEGSXJGEOP-LJQANCHMSA-N 424.505 1.681 30 10 HDEE COCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1504646131 AAVMYBXGOQGIHR-CRAIPNDOSA-N 417.535 1.971 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1507516583 LKYZZLJEWDHFHI-VXGBXAGGSA-N 411.557 1.139 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1507517116 OREKWYCIJHJKPX-ZIAGYGMSSA-N 421.523 1.412 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507634273 YGFIMRRMVSCDPU-IAGOWNOFSA-N 424.567 1.698 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CC1(C(N)=O)CCCC1 1507667569 ONUWPMZGIWKQEC-UHFFFAOYSA-N 422.489 1.514 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1507684634 FWSYPKPPLKGDIF-QGZVFWFLSA-N 411.506 1.897 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(N2CCCC2=O)c1 1507687588 RAJDNTBWBUJNEJ-SFHVURJKSA-N 406.490 1.864 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1507721273 RGTQGPAGIHADFF-NRFANRHFSA-N 403.534 1.912 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)OC)C1 1507753358 MHVCTYYVDVJDJX-KRWDZBQOSA-N 416.551 1.896 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)CC1 1507808756 VDZPEOBTFBMGRF-RYRKJORJSA-N 407.515 1.310 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1507973546 IOFSHTLMDNVDFP-OAHLLOKOSA-N 409.498 1.848 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@](C)=O)cc1 1507980253 FVDPNQWJAXARQD-CRYYWNKWSA-N 422.576 1.729 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1508081207 HVRAGSICPHAQQL-QFIPXVFZSA-N 422.464 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1508142865 BSMTYCCLIUAUIL-WBVHZDCISA-N 405.524 1.072 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@@]1(O)CCS(=O)(=O)C1 1509943033 ARVIFCKPCGHHKM-UGSOOPFHSA-N 423.926 1.886 30 10 HDEE CCCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 1515122536 BVFGZJQBTFBOPP-ZMSDIMECSA-N 404.515 1.452 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(=O)C(C)C)CCOC1 1516179097 ATYXOLUZTSMNSI-WOJBJXKFSA-N 422.505 1.534 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)C1 1517483945 ZJNFUQFLUVALEP-IIBYNOLFSA-N 407.478 1.058 30 10 HDEE CCCNC(=O)CN1CCC(NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1525202030 DPJOKZXSURNFEL-KRWDZBQOSA-N 423.558 1.680 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)Cc1ccc(Br)cc1C#N 1530741117 TZAAJNMENJNGFP-MNOVXSKESA-N 410.268 1.436 30 10 HDEE CCc1ccc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1532112950 ICMQOCQMIQJRPM-OAHLLOKOSA-N 408.462 1.672 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC2OCCCO2)CC1 1536641267 GPHUAKHQDTWZSC-ATOXUGOLSA-N 402.491 1.016 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1539369996 RBAHUROCWNFPFR-OAHLLOKOSA-N 407.540 1.089 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1ncc(C)s1 1539414026 RFJZFSLZQRKNCR-DZGCQCFKSA-N 402.524 1.884 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1539446588 GUDRHWOORSOEKT-PMACEKPBSA-N 416.570 1.038 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539776278 XYVLBFONLCRQMS-RFQIPJPRSA-N 403.936 1.502 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1540370740 CJWAEFGZLPMNQI-SFHVURJKSA-N 402.495 1.478 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1540903667 GSTJFZGVMQNZHM-HNNXBMFYSA-N 408.528 1.592 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 1543396514 BPQCTSCZIUAZBL-LLVKDONJSA-N 416.297 1.240 30 10 HDEE CCc1nnc(S)n1CCNC(=O)COc1cccc(Br)c1C#N 1543981946 MCBRIBMKOQZDSV-UHFFFAOYSA-N 410.297 1.959 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCO[C@H]1C 1555559464 XCDACCMAWKRRGZ-KXBFYZLASA-N 405.524 1.837 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCOCC2)C1 1555984961 FHLLSYTVDVPKDK-LJQANCHMSA-N 403.433 1.991 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](CC(F)(F)F)O1 1557616666 YIMMUUHJRRJLGT-YRGRVCCFSA-N 419.425 1.793 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1558397968 VJSHRLGJTFCAFL-MRXNPFEDSA-N 406.446 1.064 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)C1 1565262121 QLVUUEOZBVUJNK-YOEHRIQHSA-N 407.268 1.762 30 10 HDEE C#CCN(C(=O)NCCc1nnc2c(=O)n(C)ccn12)[C@@H]1CCCc2ccccc21 1565363780 YDYZVRSXLDDJIV-GOSISDBHSA-N 404.474 1.693 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)/C=C/c1ccccc1C#N 1570276007 SMJDDPHUGPVHTH-RMKNXTFCSA-N 403.435 1.895 30 10 HDEE CO[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)Cc1ccccc1 1583209430 JGLYFQDEVPAPRI-SFHVURJKSA-N 401.488 1.866 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1585380892 GXYRRPNHHMNDIK-QGZVFWFLSA-N 423.558 1.586 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c[nH]c2ccccc12 1588138435 CNNRDHNIRZVNMA-GOSISDBHSA-N 421.526 1.977 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)CN(C)C 1588289149 ZKMZLBLQGDYIPF-UHFFFAOYSA-N 407.526 1.968 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1CC 1588637748 KEMJEFIOAFFFGN-KRWDZBQOSA-N 413.526 1.222 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589060158 NMYWECFCQMRAPY-UHFFFAOYSA-N 404.584 1.512 30 10 HDEE C=C(Br)Cn1c(C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1589304316 FCQHLVCNROFKMS-CYBMUJFWSA-N 407.334 1.525 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C(N)=O)CC2)nnc1C1(c2ccccc2)CCC1 1595602295 JAHGNBYXOKYXSE-UHFFFAOYSA-N 422.533 1.752 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCS(=O)(=O)CC=C)C1 1595705574 BDICFUUVORNQTQ-MRXNPFEDSA-N 403.508 1.722 30 10 HDEE N#Cc1cc(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)ccc1N1CCC(O)CC1 1595913157 GSAIHVTTXGVMNK-UHFFFAOYSA-N 410.478 1.713 30 10 HDEE CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1596549495 MBUDVUSIBYZNGM-PBHICJAKSA-N 411.466 1.095 30 10 HDEE C[C@H](C(=O)N(CCC#N)Cc1ccco1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1598060195 RXIWNXCEFVSYBP-OAHLLOKOSA-N 404.467 1.990 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(C(=O)N4CCCCC4)c3)C[C@H]1CS(=O)(=O)C2 1611165727 SZRSPHWXNGWYQL-PXNSSMCTSA-N 401.488 1.323 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1611302062 DQJYREYMFWJYKR-CYBMUJFWSA-N 420.477 1.858 30 10 HDEE Cc1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1612576132 SXXSERMEGGBMMF-ZZEZOPTASA-N 422.493 1.137 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1613342293 HAYFXHYVBSLBLK-AEFFLSMTSA-N 411.510 1.800 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1615448553 ZCXMDJSIQWFBGQ-HNNXBMFYSA-N 416.950 1.691 30 10 HDEE C=CCNC(=O)N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](N2CCC(Cc3ccccc3)CC2)[C@@H]1O 1616153042 QEPSUPKAWZVVHR-ADAARDCZSA-N 401.507 1.280 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C)[C@@H](O)C2)C1 1616570845 CBPXTMJZJMQLTE-XPKSXUOMSA-N 411.506 1.954 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3Br)C[C@H]1CS(=O)(=O)C2 1617487309 NGUSLVXTMHEBRQ-XPTSAGLGSA-N 414.237 1.368 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC2CCOCC2)CCO1 1620354728 CBTZBBCDWQIRTP-IBGZPJMESA-N 412.494 1.578 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)cc1 1626470751 DSBKVJZLEPNYFI-PXNSSMCTSA-N 405.520 1.832 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2cccs2)s1 1628775022 BEKFOLUWQMSXLH-MRXNPFEDSA-N 400.547 1.840 30 10 HDEE COc1ccc(-c2cncc(C(=O)NCCn3cc(C#N)c(O)nc3=O)c2)c(C)c1 1630030357 DOMGFAOLTYJJLN-UHFFFAOYSA-N 405.414 1.630 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)C1 1634555286 UTMKSKIVHWBVDG-QGZVFWFLSA-N 407.536 1.553 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CC4(CCOCC4)CO3)C2=O)cc1 1634918559 JLOSZFFLOGNOBO-RBUKOAKNSA-N 412.490 1.544 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccnc(-n3cncn3)c2)CCN1Cc1ccccc1 1637632393 UNYJBJRTHFEINC-LJQANCHMSA-N 402.462 1.582 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)C[C@H]2C)cc1 1638673156 WYSYRFBLFPNBDH-MRXNPFEDSA-N 400.504 1.897 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1639962741 QGTWJMAWXKXHNA-QZTJIDSGSA-N 404.511 1.895 30 10 HDEE COC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1640374417 OQKGNGPRVZJQAB-CJNGLKHVSA-N 409.508 1.062 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)CCCN1C(=O)OC(C)(C)C 1642969785 JIALEIMNQKCHKS-LEWJYISDSA-N 419.478 1.700 30 10 HDEE CCN(CCC#N)C(=O)CN1CCN(Cc2ccc(Br)cc2)C(=O)C1 1644113450 WQNRNBHYWSOHKB-UHFFFAOYSA-N 407.312 1.855 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)C1 1644638428 RAOCSJVZXJFZBC-HXUWFJFHSA-N 411.527 1.993 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NC[C@H](O)c1ccnn1C 1646474228 DXJAQOADXWONEF-AWEZNQCLSA-N 423.267 1.682 30 10 HDEE CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1652521418 PRYHGQOIYQLLFH-ZOCIIQOWSA-N 411.524 1.563 30 10 HDEE CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cn1cc([N+](=O)[O-])c(C#N)n1 1652976054 DQFPURWGXGBYDB-UHFFFAOYSA-N 410.312 1.779 30 10 HDEE O=C(c1cccc(O)c1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1657639989 YPMRLWAZIDRXSF-UHFFFAOYSA-N 403.438 1.450 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1658631174 HBZPPHVXTYVDOD-UHFFFAOYSA-N 423.494 1.252 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)[C@@H](C)C(=O)N(C)C 1664194649 UJTXBWPGKXYEET-AWEZNQCLSA-N 401.529 1.128 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OC 1665501213 PMQANKKZXDTUBR-LLVKDONJSA-N 417.285 1.586 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)c(Cl)cc2F)CC1 1669425993 SLHLSCBCIPCDMN-UHFFFAOYSA-N 409.270 1.750 30 10 HDEE C=CCCS(=O)(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1671939041 JGCCLWCJRXMMBO-ZDUSSCGKSA-N 420.272 1.670 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1 1684301051 ZOXDKZCVTZBFCF-MRXNPFEDSA-N 411.499 1.706 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCNC(=O)C1CCC1 1686171403 ZSESKHVPUVOXQG-GJNTUIEKSA-N 403.523 1.522 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689937412 ZAZIDOUJTUPQHP-CQSZACIVSA-N 421.548 1.306 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1Cc1cccc(OCC(N)=O)c1 1690022853 VAIXGSAKBVVOIP-UHFFFAOYSA-N 414.469 1.249 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1690046978 JHGJESCZDKAMBY-QZTJIDSGSA-N 404.536 1.602 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CC(=O)N(CCOC)C1 1690069748 WGYXRYMGCAWSLW-KRWDZBQOSA-N 411.506 1.908 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1690306934 KERYXIQMGZRGHE-UHFFFAOYSA-N 411.510 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1690664420 RNXZPRONNKJGRG-UHFFFAOYSA-N 414.897 1.712 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1690678556 ZWEXNBHFXIDJDS-JKSUJKDBSA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H]2CCC[C@H]21 1690714563 OWIDNYWEHARBPK-HUUCEWRRSA-N 416.507 1.515 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1697011044 GVFKVHHGDDECBK-MJGOQNOKSA-N 423.521 1.829 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1noc2c1CCCC2 1698172540 WVNAPOASEMIBIK-LSDHHAIUSA-N 416.482 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1705494358 YVLBFVOAPUCJCI-AWEZNQCLSA-N 406.512 1.501 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)NCCc1ccccc1 1705500325 KZIKNZYYDIDYHY-QGZVFWFLSA-N 408.506 1.217 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1705701617 HHWPVYSAZVXIGP-ICSRJNTNSA-N 417.554 1.897 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1705741779 ZKZIPTWGBKLILY-QGZVFWFLSA-N 407.515 1.454 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1706076548 FTIUYXKINWTYJH-KDOFPFPSSA-N 410.478 1.913 30 10 HDEE CCN(CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1710062506 AZZGMRNZVRRNOX-QGZVFWFLSA-N 408.572 1.652 30 10 HDEE CN(c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1711038725 TWBQZBCXZQIENW-IAFNSTAXSA-N 402.499 1.618 30 10 HDEE CN1C[C@@](C)(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1=O 1711272318 OXIHMLOTBGRZOT-NRFANRHFSA-N 409.494 1.589 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cnnn1 1722277469 MYQMYZKEBOTNJU-HNNXBMFYSA-N 402.466 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1722297082 XDZDBQHWFDPGML-BZSNNMDCSA-N 407.584 1.759 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OCC)n1Cc1ccc(C(N)=O)nc1 1722361922 KNDTVZYIXQWTPV-UHFFFAOYSA-N 420.473 1.867 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NC1CCCCC1 1722371050 RWEKZCDBDHQUQY-UHFFFAOYSA-N 419.489 1.447 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@](C)(C(N)=O)C1 1722491860 OLMBCHCPOBEIMN-VWXURSGXSA-N 421.542 1.685 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722535010 WIDPTEQKJUKXLQ-UHFFFAOYSA-N 423.477 1.883 30 10 HDEE C=CCCOCCn1c(C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722622901 VMNMFFLHNDSECM-PXNSSMCTSA-N 404.559 1.558 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1728190416 FLZVDSZSCXZYML-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC(F)(F)C1(OC)CCOCC1 1740545990 UZNBFTRCTMLUHV-CQSZACIVSA-N 408.453 1.967 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1740610238 VAXALAPBNGBAKQ-JKSUJKDBSA-N 415.460 1.895 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCO[C@@H]1C 1740636764 BZOMLCPBJMXQDL-JPYJTQIMSA-N 416.485 1.744 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1740661789 JRWUHTJLKYKCOW-LBPRGKRZSA-N 408.553 1.730 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)CN(C)C1=O 1740663410 IKWKIVVTSGXFDB-SFHVURJKSA-N 419.327 1.984 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC 1740669451 ALNFXOPMQZCZJS-QGZVFWFLSA-N 401.490 1.896 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1n[nH]c(C)n1 1740676495 DUXKWVFJOAWJBZ-KRWDZBQOSA-N 422.468 1.677 30 10 HDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1CCS(C)(=O)=O 1740679598 DMKSFVJKGANHAT-UHFFFAOYSA-N 416.547 1.879 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(F)(F)F 1740685663 JORRTKCIRAUJDP-ZDUSSCGKSA-N 422.473 1.855 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1740689868 DTWZCGFRJBIAIX-SLFFLAALSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCCC2)CC1 1740697736 FELJNFILDARKSZ-UHFFFAOYSA-N 407.566 1.894 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1740716537 ZPTGLMCUIKVBFR-CQSZACIVSA-N 410.569 1.304 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)CC[C@H]2C1 1740864016 ITTBYGYHNGVJIE-CVEARBPZSA-N 407.540 1.348 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCCNS(C)(=O)=O 1741803413 VAGFLMDOVUMXBZ-CQSZACIVSA-N 408.503 1.686 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1747356362 PIORFDNHESTQCB-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748765778 UELDIZQVKMTDGU-KRWDZBQOSA-N 423.521 1.252 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCn1cc([C@@H]2CCOC2)cn1 1748934578 AWNPXCLMPBGGMF-QGZVFWFLSA-N 411.510 1.261 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCc2c[nH]nc2C)CC1 1748993827 NVDBGFKYXUXSPS-UHFFFAOYSA-N 404.522 1.683 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)CS(=O)(=O)CC)nnc1[C@@]1(OCC)CCOC1 1749207373 JRFNEPWDLGXCJN-CRAIPNDOSA-N 400.545 1.766 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749266819 LVEBUTHUPWOFJJ-ZIAGYGMSSA-N 408.890 1.745 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1749754758 RBYICGVRBZSSAY-HNNXBMFYSA-N 419.555 1.142 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2CCSCCCO)CC1 1751281556 MXEPCBZJAWFWKB-UHFFFAOYSA-N 406.556 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CC1(OCCOC)CCOCC1 1760109747 DJSVSLNGIYYGJG-INIZCTEOSA-N 400.483 1.405 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C(C)(C)C1 1760155435 XYUSKALBEALIEC-IRXDYDNUSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCOCC1(C)C 1760178497 PPOCNQJCEMSNBR-UHFFFAOYSA-N 408.506 1.909 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760185897 GRWRBSQNXRUEOD-PXNSSMCTSA-N 420.510 1.514 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnnn1C 1760248529 BDRPXIOZYDZMFJ-GOSISDBHSA-N 409.450 1.053 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3nsnc3c2)CC1 1760252432 QJWVSJSUNJSIBV-UHFFFAOYSA-N 424.534 1.225 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(c2nccnc2C)CC1 1760355390 IJIPDNHVGDXXSV-UHFFFAOYSA-N 421.509 1.753 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760436193 LTORKWYDAJCUET-INIZCTEOSA-N 410.526 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C(C)C)C1 1760525425 FTOIPJAWHHIJST-MRXNPFEDSA-N 404.540 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)CCOC 1760554631 ISSMWYKHUVPITH-QGZVFWFLSA-N 422.507 1.474 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)C1 1760594321 CRROXCYGHNZKSJ-DYESRHJHSA-N 411.485 1.964 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)(F)F 1760692198 AHUVFOJBFFISGS-NSHDSACASA-N 424.383 1.948 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1760852613 WVQTXKJRBXQGHO-UHFFFAOYSA-N 407.478 1.985 30 10 HDEE C[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1761393060 FBMRFXFURODIKL-YPMHNXCESA-N 408.304 1.715 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCOC[C@H]1C 1764187156 FQJQKGMJIYJVHG-HLLBOEOZSA-N 404.515 1.598 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CCC2)CC1=O 1769070210 CJDFFIYSIQVXML-GDLZYMKVSA-N 412.519 1.396 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1771272706 QYAPERHKEIFFCB-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(F)F)C1 1771368155 FPVMTAUJPSZMHU-HNNXBMFYSA-N 424.477 1.847 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCN(C(C)C)C(C)C 1850076123 NKDQMHDSRMIQHX-SFHVURJKSA-N 424.567 1.683 30 10 HDEE CCOc1cc(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nn1-c1ccccc1 1851125896 XXCIPODDUCSRCT-UHFFFAOYSA-N 403.446 1.895 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCN(c3ccccc3)CC2)c1C#N 1851351562 WHQSJXMEBMZSGS-RTBURBONSA-N 418.501 1.881 30 10 HDEE CN(C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1)[C@H]1CCOC1 1853032484 OMYRRUJYRFLWRN-ICSRJNTNSA-N 413.499 1.695 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CC(c4nc(C5CC5)no4)C3)C2=O)cc1 1853756853 XTIQLRXETXXUJW-SFHVURJKSA-N 405.458 1.978 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCc4cc(OC)ccc4C3)C2=O)CC1=O 1853874517 QJXDVXLDWHPWJY-QUCCMNQESA-N 411.502 1.605 30 10 HDEE COCCn1cc(C(=O)N2C[C@@H](C3CCN([C@@H](C)CCC#N)CC3)CC2=O)cn1 1853902177 YWDVXCLNVKMHGM-WMZOPIPTSA-N 401.511 1.922 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)C1=O 1854590189 MPRVKZAJNWHREL-MRXNPFEDSA-N 417.487 1.023 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)C2=O)CC1 1854815132 QMUWDEWTBCEWGI-LJQANCHMSA-N 407.474 1.475 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)COc3ccc4ccccc4c3)C(=O)C2)C1 1855121185 QCLQDAGAZJKKMM-FQEVSTJZSA-N 406.486 1.877 30 10 HDEE CN(CCC#N)C[C@@H]1CCC(=O)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1855428447 QOFYNNHGEMNXEU-JKSUJKDBSA-N 408.499 1.233 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cncn1 1855447831 MQXILIXPCIEKFT-DNVCBOLYSA-N 408.462 1.382 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)CC1=O 1855553077 SPXMAUCMQRINPE-CYBMUJFWSA-N 411.430 1.654 30 10 HDEE CC(C)S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1855873322 SXBXGKNOOSTINK-GOSISDBHSA-N 403.504 1.997 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)CC1CCCC1 1856103538 LDQCQERCCRQGAG-UHFFFAOYSA-N 404.492 1.536 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCN([C@H](C)CCC#N)[C@H](C)C3=O)nn2)cc1 1856262300 IJMRJJOBTVFAOO-HZPDHXFCSA-N 410.478 1.700 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857069167 RJFNFRPYQKJEPT-SFHVURJKSA-N 404.474 1.528 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H](C)CN(S(=O)(=O)CC)c3ccccc32)CC1=O 1857101640 RZQXFJPIITWYDA-LSDHHAIUSA-N 419.503 1.387 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857317328 XJLLVVWOAFOCNK-DNVCBOLYSA-N 419.472 1.991 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c(=O)cc1C(=O)O 1857890477 YMXIFAWYDOKUDO-LBPRGKRZSA-N 406.420 1.453 30 10 HDEE Cc1ccccc1CS(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1 1858325162 ZXYFANOJIRBFQJ-SFHVURJKSA-N 419.528 1.749 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)c3ccc4c(c3)OCO4)cc2C1=O 1870150999 YFYUAYIAUMEYII-UHFFFAOYSA-N 416.353 1.346 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)nc(Nc2ccc3n[nH]cc3c2)[nH]1 1871632248 BQTVDLVBYDBPAJ-UHFFFAOYSA-N 407.482 1.640 30 10 HDEE C=CCNC(=O)Cc1nonc1OCC(=O)Nc1cc(OC)c(Cl)cc1OC 1872651778 WJXMSNUOFOSNEQ-UHFFFAOYSA-N 410.814 1.602 30 10 HDEE CCc1nnsc1C(=O)N1CCC(OCC#CCN2CCN(CC)CC2)CC1 1889323107 MJBGJLNEWNYGGW-UHFFFAOYSA-N 405.568 1.363 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(S(=O)(=O)c4ccc(C#N)cc4)C3)n2)n1 1890075370 HCLOFHWXMBYWOA-UHFFFAOYSA-N 424.486 1.238 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(Cl)nc3)CC2)CC1 1891035950 WOYLDWUNALOSBW-UHFFFAOYSA-N 418.969 1.926 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCCOC)C1 1891781212 PUMVMQXSWKINLK-MRXNPFEDSA-N 408.458 1.550 30 10 HDEE C=C(Cl)[C@@H](O)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1990706739 SXJIXTXKKKWZSB-KGLIPLIRSA-N 405.856 1.284 30 10 HDEE N#Cc1c(Cl)nsc1N1CCNC(=O)CCN(C(=O)C2=CCOCC2)CC1 2060423346 PXQDLDGSDSUKSN-UHFFFAOYSA-N 409.899 1.170 30 10 HDEE C=C(Cl)[C@H](O)Cn1nnc(C(=O)OCC)c1CN1C(=O)c2ccccc2C1=O 2073748689 IRMLBLCSAQCPMA-CQSZACIVSA-N 404.810 1.364 30 10 HDEE C=C1C(=O)O[C@H]2C=C(C)[C@H](OC(C)=O)CC=C(CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@H]12 2085667579 INXZZSZBRLXKNT-GZGYCKQOSA-N 420.458 1.525 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCCC(C)(C)[C@@H]1C#N 2184352763 DMVZLFAILNQHKB-KGLIPLIRSA-N 401.529 1.855 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1(C)C 2196367222 INRWODZBCFWLHS-QLFBSQMISA-N 400.545 1.996 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)NCS(C)(=O)=O 2203125838 XXYIXFOPLOFAQD-JTQLQIEISA-N 403.335 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C1 2243110401 QNNYMSSFUMGDRM-UHFFFAOYSA-N 405.304 1.775 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2243702774 SLHYKIUZMNZLPC-LSDHHAIUSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)Nc1[nH]nnc1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244545716 BFRPKFUBCAULPU-UHFFFAOYSA-N 405.264 1.906 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ncccc1B1OC(C)(C)C(C)(C)O1 2247107985 UTSVOWGJWSRMMF-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CC[C@@H](CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)NC(=O)OC(C)(C)C 2247836574 DXEZDSMXPZYJRC-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cn1c(Br)nnc1CCNc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266061371 OCCOLXYCUNEQAZ-UHFFFAOYSA-N 408.109 1.926 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCCC1 2270495736 FTVPDVIGMMUJEO-MSOLQXFVSA-N 422.503 1.566 30 10 HDEE CC1(C2CCN(C(=O)c3ccncc3B3OC(C)(C)C(C)(C)O3)CC2)OCCO1 2281801300 CRVYNIBMHORUEM-UHFFFAOYSA-N 402.300 1.996 30 10 HDEE C[C@H]1OCC[C@@]1(O)CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281965247 AODDBRVIJBOSQG-BMLIUANNSA-N 401.721 1.970 30 10 HDEE C[C@H]1OCCO[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282334051 WPZUHCRYMOQONS-NEPJUHHUSA-N 403.331 1.130 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](O)C(F)(F)F 2282351788 GISOBAXVLRRLDU-KWQFWETISA-N 415.264 1.637 30 10 HDEE CC[C@@H](O)CN(C1CC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282416724 AAGBZIZKHBCXGW-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE CN([C@H]1CCCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282493730 VWIMUTLMABRIHT-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC(O)CC2)OC1(C)C 2282499897 GKNJVLLXCYXGPT-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CO[C@@H]1COCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282861226 LMNHHYHSZDBODV-CHWSQXEVSA-N 403.331 1.130 30 10 HDEE C[C@@H](CO)CN(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871459 HKFFVXCYALAQEL-GFCCVEGCSA-N 403.737 1.888 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@@H]3CCCC34OCCO4)c2)OC1(C)C 2282877209 OCAMLJFJVGNXMC-QGZVFWFLSA-N 423.340 1.701 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H](C(=O)O)C3COC3)c2Cl)OC1(C)C 2284392294 VKPCDEMSTCFSPT-LLVKDONJSA-N 401.677 1.530 30 10 HDEE CCN(CC(=O)O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284415844 QNFWEOZHLVTQBU-UHFFFAOYSA-N 403.693 1.734 30 10 HDEE COc1ccc(OC)c(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 2325714467 AKWMIULNFHLSDG-UHFFFAOYSA-N 404.444 1.250 30 10 HDEE C=CCOC[C@H](O)Cn1c(NN=Cc2ccc(C)cc2)nc2c1c(O)nc(=O)n2C 2328607755 SBKDUXLFHDRJHP-OAHLLOKOSA-N 412.450 1.154 30 10 HDEE COc1cc(C=Nn2c(CNC(C)=O)nnc2SCCCO)cc(Cl)c1O 2330797010 WFCOTNWWNJNXGQ-UHFFFAOYSA-N 413.887 1.639 30 10 HDEE Cn1nc(Br)c(Br)c1[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2341990458 KHPIYYCJASAOTC-ZETCQYMHSA-N 411.119 1.526 30 10 HDEE COC(=O)NS(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2343819509 BPXCVLRNYGFTLK-UHFFFAOYSA-N 410.710 1.391 30 10 HDEE C#CCNC(=O)CCNC1(C(=O)O)CCC(NC(=O)OCc2ccccc2)CC1 2346156048 ZXAYAEDKRSHYFZ-UHFFFAOYSA-N 401.463 1.408 30 10 HDEE CC1(C)OB(c2cc(O)c(C(=O)N[C@H]3CCCC34OCCO4)cc2F)OC1(C)C 2364893864 AQKZZQZLFXTXQI-INIZCTEOSA-N 407.247 1.856 30 10 HDEE COCC[C@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365192441 CIDHWUPVJKAUOP-DNVCBOLYSA-N 403.541 1.838 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2365203115 HRPXNZHVRXCQKA-HZPDHXFCSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367798353 QHDASJZWDGLSAB-PMPSAXMXSA-N 401.525 1.780 30 10 HDEE Nn1c(N/N=C/c2cccnc2)nnc1SCC(=O)Nc1c(F)cccc1F 20292677 YGSMSORJDKEXJC-ODCIPOBUSA-N 404.406 1.842 30 10 HDEE Cn1cc(/C=N/Nc2nnc(SCC(=O)NC3CC(C)(C)NC(C)(C)C3)[nH]2)cn1 20837504 YPPOKOSQRCNZBS-UFWORHAWSA-N 419.559 1.502 30 10 HDEE N#Cc1ccc(-c2csc(C3=C(N)N(CCCN4CCOCC4)CC3=O)n2)cc1 34769725 RHTZZJKKCPSOEH-UHFFFAOYSA-N 409.515 1.916 30 10 HDEE C#CCN(C(=O)c1ccc(I)cc1)[C@@H]1CCS(=O)(=O)C1 48567823 CZMYQWBDQVXHBN-CYBMUJFWSA-N 403.241 1.554 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nccn2-c2ccccc2C)CC1 55199504 ZZAPKIGRUUEXAI-UHFFFAOYSA-N 413.547 1.719 30 10 HDEE CC(=O)c1cccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 254391841 ZKZHDSBLWYBIHH-LSDHHAIUSA-N 424.500 1.746 30 10 HDEE C=C1C(=O)O[C@@H]2C=C(C)[C@@H](OC(C)=O)CC=C(C)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H](O)[C@@H]12 299806808 UZTYOOVAPGOQDZ-ILWHZFCNSA-N 420.458 1.762 30 10 HDEE in-vitro CCOc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427254532 AGSITDNOFMBQDT-UHFFFAOYSA-N 424.504 1.712 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N(C)C2CCN(c3cnccn3)CC2)cc1 435251950 LSEJRIKJTIPXKJ-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE Cc1nc(=NS(=O)(=O)c2ccccc2S(C)(=O)=O)n(-c2ccc(C#N)cc2)[nH]1 443412065 YVOOKBDFJDJOTR-UHFFFAOYSA-N 417.472 1.074 30 10 HDEE CC(C)OCCOC[C@@H](O)CN(C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 462089740 ICSMOOGDVOGJDU-KRWDZBQOSA-N 402.455 1.405 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC(=O)N1Cc1ccccc1 466850209 YVXFSPCMYFAUFG-XLIONFOSSA-N 418.501 1.974 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cc2C1=O 479619719 XKYJUXRQEZJDRO-UHFFFAOYSA-N 424.501 1.095 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)cc1 482322220 HVBFBSCTYBVNMN-QGZVFWFLSA-N 422.453 1.719 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(Cc3ccc(F)cc3)c2CC)CC1 492872037 KEMQOMKTWZYULC-UHFFFAOYSA-N 414.485 1.088 30 10 HDEE C[C@@H](NC(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1)C1(S(C)(=O)=O)CC1 500887651 IMIPDDZUBRFVCX-IUDNXUCKSA-N 406.508 1.908 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507554341 UWALKSVQWBZRRL-OXJNMPFZSA-N 423.517 1.255 30 10 HDEE C=CCn1c(-c2ccccn2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508730241 NRDYAVFGKFCUES-IBGZPJMESA-N 411.554 1.757 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](O)(C(F)(F)F)C1 508800054 DFLQRQZYMBTJLO-INIZCTEOSA-N 406.372 1.610 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1 508885919 VDHQCSIUJNJMNF-KRWDZBQOSA-N 405.524 1.476 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 509207147 AVUAGKLQMPPIRG-HNNXBMFYSA-N 414.553 1.181 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccco2)c(=O)n1-c1ccccc1C#N 515663380 YDMGGSHPFCJPHG-UHFFFAOYSA-N 404.451 1.393 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(OCCO)c(OC)c3)cc2C1=O 516535295 CQEPFFWVLIGELB-UHFFFAOYSA-N 410.426 1.778 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCCC3)nc2)CC1 522518875 HXQWECYFKDWIGK-UHFFFAOYSA-N 404.474 1.841 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@@H]1CCCO1 523860856 JUWSULPZMRYDGN-INIZCTEOSA-N 414.531 1.331 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2ncccc2C#N)CC1 533223101 HYVSAVSIXFUUGB-UHFFFAOYSA-N 422.489 1.147 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1C 537566461 KVEWXACKIDFPBT-UHFFFAOYSA-N 415.475 1.344 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 540338381 QVALPCBVMKXHFF-ICSRJNTNSA-N 405.587 1.551 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)ccc1OCCO 543953240 BXQIOBOJGOOOBG-CQSZACIVSA-N 403.460 1.543 30 10 HDEE COCCOc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546178292 JDXJAPKMJVGDSV-UHFFFAOYSA-N 402.476 1.489 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)s1 553549217 DSEGWKGRAGQMRE-OLZOCXBDSA-N 403.485 1.817 30 10 HDEE CCN(CC)C(=O)CN1CCCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 563718948 YSVKPEXQDYHNQL-UHFFFAOYSA-N 401.511 1.653 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)c(OC)c1 567629848 DDSSULJLUBHESF-UHFFFAOYSA-N 408.520 1.829 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)ccc1C#N 580985187 RGHNZZNMTRYILT-CQSZACIVSA-N 406.450 1.425 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)CNc3ccc(-n4cnnn4)c(OC)c3)cc21 586317705 FUDYTBSGTSVXJL-UHFFFAOYSA-N 420.429 1.877 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)Cc3cnccn3)nnc12 605143321 ZUGDQNJGFPLPPP-UHFFFAOYSA-N 421.486 1.771 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC(C(=O)N4CCCC4)CC3)CC2)nc1 609001354 ZLNOMZARTWAAKA-UHFFFAOYSA-N 410.522 1.966 30 10 HDEE C=CCOCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 679649665 YRSBGBOKDQLXGF-UHFFFAOYSA-N 424.413 1.362 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(C)cc2)C1)[C@@H]1CCS(=O)(=O)C1 729334370 NGUPSYFZZPFMSE-RTBURBONSA-N 402.516 1.496 30 10 HDEE C#CCN(C(=O)c1ccc(-n2cc(Br)cn2)cc1)[C@H]1CCS(=O)(=O)C1 729334990 YAPRVMLRUCFVQY-INIZCTEOSA-N 422.304 1.897 30 10 HDEE Cc1ccc(C(=O)NCc2cccnc2-n2ccnc2)cc1S(=O)(=O)NCC#N 731182679 VDTNHPDBRUAXGZ-UHFFFAOYSA-N 410.459 1.308 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665076 WWAIENHDRFEEHC-SJLPKXTDSA-N 416.547 1.745 30 10 HDEE C#CCCNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 733614450 DGZKTPFREBQSHO-UHFFFAOYSA-N 420.535 1.843 30 10 HDEE CC(=O)N(Cc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)C(C)C 735194206 GMXNNNLTQZXGGN-HXUWFJFHSA-N 411.506 1.581 30 10 HDEE C#CCN(C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 742051838 DMPOVZSGMYZBKA-JKSUJKDBSA-N 414.524 1.051 30 10 HDEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)c2cc(C#N)cn2C)ccc1OC 752594420 OSNPTDARFDDLJY-UHFFFAOYSA-N 404.448 1.050 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc21 757898743 RALARRXHANKSII-HNNXBMFYSA-N 406.508 1.812 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)c1 765186092 HLCOGEILXNFUAJ-UKRRQHHQSA-N 404.410 1.374 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)O[C@H]3CCCNC3=O)nnc12 767238467 WTLAIKANZFSODM-AWEZNQCLSA-N 413.459 1.144 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 774145802 JJWYVAPKVRBECI-HKUYNNGSSA-N 419.547 1.664 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C(=O)O)[C@H](O)c2ccccc2)c1 776600558 JUWVQDQFDFJPSP-IAGOWNOFSA-N 404.444 1.068 30 10 HDEE C[C@H](OC(=O)[C@H]1COCCN1CC(F)F)C(=O)Nc1sc2c(c1C#N)CCC2 786943669 BRUJKEVURLZEOX-GXFFZTMASA-N 413.446 1.945 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)c1cncc(N2CCOCC2)c1 787059855 IBBPCRIQKZJIQL-GOSISDBHSA-N 409.402 1.465 30 10 HDEE CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC#Cc2ccccc2)c1 791276125 ZUFWYVGWJHLNLP-UHFFFAOYSA-N 402.472 1.550 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(C(=O)N2CCN(c3ccccc3C#N)CC2)=NO1 798945565 VVWGAXYFXHIPFE-INIZCTEOSA-N 413.478 1.876 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161932 QMEQFGBIWFSNTK-HNNXBMFYSA-N 404.442 1.781 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCN(c2ccccc2F)CC1 806781019 JMKGLTVRBOSXHD-VHEBQXMUSA-N 401.442 1.574 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)c(C)cc1F 813663209 MWDWRTJUNAKVPS-UHFFFAOYSA-N 413.471 1.157 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@H]1CCCO1 916196818 IPBVQZAUWSIJJA-OAHLLOKOSA-N 416.300 1.878 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)c3cc(OC)ccc3OC)cc2C1=O 917104953 IENWXKOBWQYFLY-SFHVURJKSA-N 410.426 1.949 30 10 HDEE CCCNC(=O)CN1C(=O)C(=NNS(=O)(=O)c2ccc(F)cc2)c2ccccc21 1084560047 WKBMTNBUWVCKAS-UHFFFAOYSA-N 418.450 1.381 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(C#N)nc1 1124237812 MXCXLMOZPNIXPB-UHFFFAOYSA-N 400.460 1.464 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 1136563740 JFWPYAODNGTXIQ-DHZHZOJOSA-N 409.461 1.869 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1137497765 SMGHCJFUNYGHTO-SFHVURJKSA-N 414.462 1.944 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2[nH]c3ccccc3c2C#N)C1 1139811089 DBDPSXRPMROVNY-CQSZACIVSA-N 404.492 1.552 30 10 HDEE CN(C)[C@@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COc2ccccc2C1 1139811093 DDMBEPAAWSVZRB-GBXCKJPGSA-N 418.497 1.711 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1C[C@@H]2CC[C@H](C1)N2C 1140951311 GLUWQTHNSUUTML-YCXXCVGLSA-N 418.563 1.881 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 1142958630 OURUTNPFRFTESL-MOPGFXCFSA-N 405.539 1.695 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1)c1cc[nH]n1 1143038735 PEUBLUKLWFZJSX-ZDUSSCGKSA-N 415.450 1.861 30 10 HDEE CCN1CCN(CC(=O)Nc2cnc(Oc3ccccc3C#N)cc2C)C(=O)C1=O 1144728860 ZSOUCGPLFQOEEJ-UHFFFAOYSA-N 407.430 1.683 30 10 HDEE O=C(NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)c1cccc(C#CCO)c1 1147336644 AMHXZBYMCYZYHZ-UHFFFAOYSA-N 412.511 1.755 30 10 HDEE COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1F 1150861016 LOFNPWJVRMRLJB-INIZCTEOSA-N 408.382 1.906 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 1150870014 HFBRDBTVPHNJSP-AWEZNQCLSA-N 408.418 1.957 30 10 HDEE N#C[C@@H](CO)NC(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 1157964214 UHYMDYCNGBHLJQ-GJZGRUSLSA-N 405.455 1.356 30 10 HDEE C=C(C)[C@@H](CC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21)OCC 1158009073 DKVXKHGMYJMMEP-OWCLPIDISA-N 416.540 1.603 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1175916492 ABAYCOKVUHEDQT-HNNXBMFYSA-N 403.483 1.853 30 10 HDEE N#Cc1csc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1179370551 ABCZAXBLZSXZLB-UHFFFAOYSA-N 417.516 1.930 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)c3ccc(CN4C(=O)CNC4=O)cc3)CCO2)cc1 1179404360 CUWMBSCXGPFBGN-LJQANCHMSA-N 404.426 1.824 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCCCNC(=O)CC2)CC1 1198667436 LZTSRKVIMOPSAF-FQEVSTJZSA-N 415.513 1.527 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)nn1 1202756647 DRVNIXWXAMBOGM-UHFFFAOYSA-N 416.463 1.857 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](c3ccnn3C)C2)cc1 1203390940 AFJJSEZSTIVPAE-GUYCJALGSA-N 403.464 1.711 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CC1 1235529762 LAHFHUITTWSYBL-LJQANCHMSA-N 420.535 1.107 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CC(=O)N(CC3CC3)C2)nn(-c2ccccc2)c1N 1245997441 WZBWLYHTBRAOGM-INIZCTEOSA-N 421.505 1.569 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1253779350 ORHCFAMRHXIDIM-SFHVURJKSA-N 407.536 1.748 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1267417882 QGMKLJGVOQPGOI-WYNHTCPKSA-N 401.551 1.898 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)C1 1280467549 KFXYZWMDXBYMBO-MRXNPFEDSA-N 420.531 1.976 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1286376721 IZLCYGZSAXIFNM-INIZCTEOSA-N 408.428 1.596 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1286493468 BSEOEOYVNLTGLJ-ZIAGYGMSSA-N 415.585 1.041 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)[C@H](C)C1 1286514998 SUXTZCFUCWHMGW-VYDXJSESSA-N 407.540 1.035 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1 1286527591 FCNWTAMFSHSVPA-FOIQADDNSA-N 415.519 1.677 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1286710962 GAJPPHSXRISCDG-QZTJIDSGSA-N 407.515 1.454 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)n1 1286726435 FEOJOTASHZVNGW-QGZVFWFLSA-N 420.539 1.179 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NS(C)(=O)=O)CC1 1286837150 UGCHQGRCWHTFGM-OAHLLOKOSA-N 415.585 1.567 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCOCC2)CCOC1 1288281764 NARLVCOWSWBDST-RXVVDRJESA-N 420.558 1.779 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1291303273 PRIGFIXEMDNKOS-HMWBCQRISA-N 409.450 1.092 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1297622375 RXZGTIOPKRYGAU-SFHVURJKSA-N 406.891 1.641 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1299960858 IWDACTAJSDRISD-ROUUACIJSA-N 408.520 1.591 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCC(F)(F)F 1300309008 ROAJSFHLHHLMRU-NWDGAFQWSA-N 410.487 1.934 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1300420007 YMZUKZZOGLIFFU-LJQANCHMSA-N 420.517 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300545771 VRYDTRUMSZVNPH-UHFFFAOYSA-N 408.506 1.558 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1COCCO1 1300579239 NYADVGKWFBBVOC-MRXNPFEDSA-N 418.457 1.472 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1300602452 FKDZGKXCDSZHFB-KNQAVFIVSA-N 419.570 1.747 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1300734586 YFQDSKGQRWNCIT-OAHLLOKOSA-N 418.567 1.085 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1300989846 RKGOJSNJUSQKGO-WOJBJXKFSA-N 419.570 1.923 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1301478048 GZLVJJNVJCIVIP-MSOLQXFVSA-N 404.559 1.642 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1301499129 YKCSFXIVHIAPOZ-BBWFWOEESA-N 416.526 1.174 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnn(C)c1 1301502704 OFWYKCJQLCBJQH-UHFFFAOYSA-N 415.448 1.819 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CC[C@H](C(=O)OC)C1 1301578789 IYFVIHCSDAPKHG-HNNXBMFYSA-N 419.507 1.249 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1301587755 SGEORJAVQIEFCV-UHFFFAOYSA-N 423.926 1.059 30 10 HDEE COCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@@H](C#N)C1 1302230406 PWYYXZUCNWLBPO-SFHVURJKSA-N 401.467 1.557 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCN(C)C1 1302268071 WWWWJIUQBIFPHQ-WFXMLNOXSA-N 418.542 1.199 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)C1 1303897933 AFVILHVCQRFNKJ-INIZCTEOSA-N 415.494 1.728 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1305205285 HJSKAKFATAEDMV-GPMSIDNRSA-N 413.478 1.758 30 10 HDEE C[C@H](CC(=O)N[C@H](CO)c1cc(F)ccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1305532374 DRPUJAHXKRXBOO-BDJLRTHQSA-N 423.441 1.632 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CC#N 1314541302 AQRJMBCEYLVQML-HZPDHXFCSA-N 412.560 1.582 30 10 HDEE COCCOCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316262255 RDLUOZSBZGQJPF-AEFFLSMTSA-N 404.515 1.012 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1319019913 DPPLXQUZQJSISA-AYGAQVIVSA-N 406.483 1.713 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1 1354427176 FJVSUAPBVIZMHZ-NSHDSACASA-N 416.388 1.388 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1355617246 YLEWDWKAOVQTSY-UHFFFAOYSA-N 401.492 1.687 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOCC1(C)C 1358870028 CTUHXZGXNYSWMD-INIZCTEOSA-N 411.510 1.494 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358959173 CYWLPAAGTXSRQC-YWZLYKJASA-N 420.510 1.872 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1 1358972520 IEDAITSQIGKUJW-UHFFFAOYSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1358975702 BECQOMBCWNKCOX-QGZVFWFLSA-N 419.464 1.235 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1Cc1ccc(N2CCOCC2)c(F)c1 1359025146 DYGJXGNOFBVHIL-UHFFFAOYSA-N 401.486 1.951 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1359054601 APTVLLDKYITJTC-MRXNPFEDSA-N 422.580 1.449 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCS(=O)(=O)C1 1359065088 IKJGDSIGMWAMJY-AHRSYUTCSA-N 422.551 1.357 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359131942 JMPSEDOWOIOIJY-INIZCTEOSA-N 418.542 1.517 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNc1nccc(C(F)(F)F)n1 1359239515 QBMBBGGZDPQBMM-NSHDSACASA-N 410.404 1.772 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N(C)C 1359281573 DMSCMGQXIYJRMU-KRWDZBQOSA-N 401.467 1.518 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1359281678 GXNJVHRDJCOEFK-IRXDYDNUSA-N 423.583 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1359332664 CXEJEGWRXAUMJL-LJQANCHMSA-N 411.572 1.430 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1359337644 XLNPSFNKJAMUIB-DOMZBBRYSA-N 402.521 1.249 30 10 HDEE Cc1noc(CSc2ccccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1439607733 GWPOUPPBKYJLTL-UGSOOPFHSA-N 418.500 1.681 30 10 HDEE N#Cc1c(NC(=O)c2cccc(S(=O)(=O)C(F)(F)F)c2)nc2n1CCOC2 1440047028 SPZHXGNHRYMYSZ-UHFFFAOYSA-N 400.338 1.831 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 1446092423 BXZBUZGSWYTYGP-SFTDATJTSA-N 418.559 1.981 30 10 HDEE Cc1ccc(NCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1456127918 KAXNPAPJEHDYHW-CQSZACIVSA-N 401.492 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@H](O)c2ccc(C#N)cc2)C1 1460559681 KLMHIXJNFBTJLP-KRWDZBQOSA-N 400.479 1.403 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1461931414 JYPDTIXWWMTZLF-YJYMSZOUSA-N 409.845 1.791 30 10 HDEE COCCNC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1468810351 NOPJQFIAJWQAFW-RDYUPDBUSA-N 420.510 1.185 30 10 HDEE O=C(c1cccc(N2CCNC2=O)c1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472617988 JGLKZGCREZQEAA-UHFFFAOYSA-N 408.414 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCN(Cc2ccc(C#N)c(F)c2)[C@@H]2CS(=O)(=O)C[C@@H]21 1473853582 CZUIABDNZXYNBJ-SJORKVTESA-N 409.483 1.916 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2ccc(Br)c(F)c2)c(=O)nc1O 1477796791 BBKNOEUBWWYTLE-UHFFFAOYSA-N 410.203 1.222 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)c2)CCOC1 1502727548 AZHXLECYUUNEIW-PXNSSMCTSA-N 415.498 1.025 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1)OC 1504578582 DEFMHMCBMHBWHB-ROUUACIJSA-N 401.467 1.330 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507520162 XNODNOFZXUWYNV-FRQCXROJSA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC(C)(C)C(=O)NCC)[C@@H]1CCS(=O)(=O)C1 1507622876 MOWPMISFFYOGEE-HZPDHXFCSA-N 423.583 1.581 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H](C)C1 1507636377 FEQATTCOZSAUHI-GOSISDBHSA-N 405.506 1.730 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1507679720 PRNRYVLUXOGWJC-MRXNPFEDSA-N 410.588 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N1CCN(CC)CC1 1507705486 SPGFLLHCBCLSIU-GOSISDBHSA-N 414.554 1.959 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCOCC2)CC1 1507712871 RPDWMVBDDAUYBS-SFHVURJKSA-N 403.527 1.471 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCS(=O)(=O)C1 1507930165 ZUPDSNRYMQPUHC-VQIMIIECSA-N 412.556 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCN(C(C)=O)CC1 1508073287 IUWWFKYDQCGIEE-UHFFFAOYSA-N 416.913 1.959 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 1508093381 IBZZWPUMCHYTFL-CQSZACIVSA-N 408.503 1.220 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2nncn2C)C1 1508126247 HDHISKVEOQIXCH-OAHLLOKOSA-N 413.457 1.954 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1508159143 LBPBEGSWBGMUSD-HOTGVXAUSA-N 420.583 1.842 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1509412941 YZNIKUYDZMEPCR-LJQANCHMSA-N 407.522 1.873 30 10 HDEE Cc1cccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)n1 1511164747 GXHKRQPCFWDYHS-KRWDZBQOSA-N 414.535 1.866 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(CC2CC2)n1CCCCCO 1512365633 IMKRJVMCHMTDKB-MRXNPFEDSA-N 410.526 1.770 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1512465126 NKXZFUDYNVCSRV-KRGDBVFUSA-N 418.523 1.250 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCc1nccnc1C 1517575647 CESWODZYHVJGPI-UHFFFAOYSA-N 404.478 1.730 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)(F)F 1519260896 QYARWUYYKDVCQR-LBPRGKRZSA-N 418.420 1.421 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 1528411210 ABCBGVXRPIYVAF-BJKOFHAPSA-N 424.497 1.982 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1538975938 FTOOAGOZVKLTCD-VDGAXYAQSA-N 407.584 1.825 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1539112467 RLVDZYVAORDCFW-OAQYLSRUSA-N 419.533 1.948 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1539179850 SJIYXEHJQCDAOD-QGZVFWFLSA-N 400.504 1.371 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCNS(C)(=O)=O 1539338305 XWIABWCIJSHZIV-UHFFFAOYSA-N 419.482 1.008 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1539444881 XAZUGURICGWAOA-BGYRXZFFSA-N 423.565 1.595 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCOC[C@H]2CCOC2)CC1 1539446499 DQNYOQZCLRUKBH-UXHICEINSA-N 417.554 1.371 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539451998 IBTAGBGVTFTVLQ-UHFFFAOYSA-N 400.571 1.880 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1539512217 AQHCOYGOIDRRFP-SJORKVTESA-N 402.524 1.429 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(COc3ccccc3C#N)o2)C[C@@H]1C(=O)OC 1539726743 PKYAKAFOIOUPCH-IYBDPMFKSA-N 412.398 1.764 30 10 HDEE C=CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539955433 XJKKWRJWKVBGCT-INIZCTEOSA-N 421.509 1.944 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCCS(C)(=O)=O)C1 1541990170 ASTLSGHSYNMUHQ-LJQANCHMSA-N 402.524 1.829 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2COc3c(cccc3OC)C2)s1 1542875725 RJVBHVCXECQCAX-CQSZACIVSA-N 422.528 1.883 30 10 HDEE N#Cc1c(CCCNC(=O)C[C@@H]2CCCS2(=O)=O)nn(-c2ccccc2)c1N 1543520920 KJXJKAIQJPIFCC-HNNXBMFYSA-N 401.492 1.342 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCCO1 1545097300 ZLTUTARVKIEMAA-GUDVDZBRSA-N 418.542 1.402 30 10 HDEE COc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(CC#N)cc2)cc1OC 1557191026 KOFOLIGINWBPKA-UHFFFAOYSA-N 403.460 1.365 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 1558328601 BSTJDOUTDRUBJE-MRXNPFEDSA-N 416.526 1.678 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccc2c(c1)COC2 1559010792 MPHQWKSJHWJIJD-LJQANCHMSA-N 415.471 1.059 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)Nc1sc(C(=O)NC)c(C)c1C(=O)OCC 1559850922 UDSGWOOSSKMFJN-OLZOCXBDSA-N 409.508 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C[C@H]1[C@H]1CCCO1 1569675786 JKXWQSBOTLIAPX-XUWVNRHRSA-N 411.499 1.678 30 10 HDEE CN(C)C(=O)[C@@H]1CCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1570318675 WIZOUQPUANKRJR-OAHLLOKOSA-N 410.434 1.922 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(OCC(F)(F)C(F)F)nc3)C[C@H]1CS(=O)(=O)C2 1585660875 YUZMYLQARQTMGB-XHDPSFHLSA-N 421.372 1.371 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587677102 CESMRWIMSBCSLY-ULQDDVLXSA-N 403.506 1.619 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1587981183 LTMBHDJTTIJSGQ-HOCLYGCPSA-N 405.426 1.335 30 10 HDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCNS(C)(=O)=O 1588020501 PJHIJGRFIAUCKU-UHFFFAOYSA-N 409.537 1.198 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC(=O)NC1CC1 1588138218 AHQSNHANJASDRJ-HXUWFJFHSA-N 419.485 1.922 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](c2ccncc2)C2CCCCC2)CC1 1588199596 VBDLBMONGSFDTR-LJQANCHMSA-N 404.536 1.357 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1588812881 UXXVFVFMIOLVFW-FQEVSTJZSA-N 413.614 1.717 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1588975225 FQFSSLWTXYIJIO-LJQANCHMSA-N 404.540 1.582 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1589053023 DANLGEYIRFSUOM-SFHVURJKSA-N 402.455 1.814 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)N(C)C2CC2)CC1 1594192750 KYPQTEFCHGIWKM-CABCVRRESA-N 410.588 1.773 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1595291821 RMTDCRULGXIGPP-INIZCTEOSA-N 405.524 1.946 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1595418221 DKVJZQFQQNQBEX-FXAWDEMLSA-N 409.538 1.439 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)N[C@H](C)CCC)C1 1595536642 DBQGYWRUVTYLAQ-NVXWUHKLSA-N 402.543 1.979 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1595555820 IAPZWNWJHKTZOC-IBGZPJMESA-N 422.533 1.681 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC(F)(F)F)nnc1[C@]1(OC(C)C)CCOC1 1595595443 VBFQACNURZHSEU-INIZCTEOSA-N 405.421 1.619 30 10 HDEE CNC(=O)[C@H]1CCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1596012164 DADDAQDNAUFTLC-MRXNPFEDSA-N 405.296 1.884 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)CC1 1597582700 PALBDVRDWIAMAN-UHFFFAOYSA-N 401.492 1.803 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2[C@@H]3c4cc(Br)ccc4C[C@H]32)C1=O 1597805095 ZNDGFCMLZQNEGT-BPLDGKMQSA-N 418.247 1.180 30 10 HDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1598219440 BLCOXPKBAFFNEA-LPHOPBHVSA-N 409.556 1.717 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC1CCOCC1 1611286035 CBYCGEZPPPBSQN-INIZCTEOSA-N 404.515 1.838 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCn2c(S)nnc2-c2cccs2)CC1 1611316121 TURYEHOWDYVNNU-UHFFFAOYSA-N 405.505 1.991 30 10 HDEE Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)cs1 1612397656 QEPMDBXPCGBVAO-GFCCVEGCSA-N 411.491 1.814 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2COC(=O)N2CCC(C)CC2)CC1 1617785241 ZVMKDBMCPIAFGQ-FQEVSTJZSA-N 404.555 1.487 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1619833421 NUFNQXNNXSMJBD-GOSISDBHSA-N 401.467 1.617 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@H]2CO)CCO1 1620354770 CLWKSQMKHCRPQR-RBUKOAKNSA-N 411.510 1.306 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1620625744 AGDBXCUSEZZNFJ-OAGGEKHMSA-N 408.524 1.187 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1623658722 BQBJYYJNXRYVQP-CQSZACIVSA-N 400.447 1.520 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1623973296 FHRUAKCVROULTF-KUHUBIRLSA-N 409.483 1.706 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3n(n2)CCC[C@H]3O)c1 1624892869 QYVPEJMVUYLZPZ-SFAXUQRRSA-N 417.491 1.775 30 10 HDEE NC(=O)Cn1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1627107363 BWDROOUOCQJUGV-PHDIDXHHSA-N 421.248 1.006 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C#N)C1 1627125260 KEMZMXZEMVCMSB-BBWFWOEESA-N 407.492 1.525 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)[C@@H](CO)NC(=O)OCc2ccccc2)c1OC 1627357837 ZKXYKBXTPZTWHX-DLBZAZTESA-N 413.430 1.672 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(-c3ccncc3)n2)s1 1629357277 VAZPJUWVUJWDDG-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)CNC(=O)c3ccc(Br)o3)C2)c1 1630762464 SPOJUPUBYILGHY-UHFFFAOYSA-N 403.236 1.966 30 10 HDEE COCCN1CCN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1631905627 VKIUSQQICVGEKV-OAHLLOKOSA-N 422.551 1.073 30 10 HDEE C=C[C@@H](C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 1633348969 ZRWGYWURUCCUJX-OAHLLOKOSA-N 405.442 1.934 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C[C@H]3CCOC3)nn2)CC1 1635680184 OSXCOVVSNSLREX-DNVCBOLYSA-N 414.897 1.991 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 1635996854 PBRUUBZYMGFHHW-UHFFFAOYSA-N 420.460 1.472 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2CC[C@H]2c2ccc(Cl)cc2F)CC1 1636480042 JSXFJRGLUJTVHJ-GOEBONIOSA-N 413.902 1.585 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N[C@@H](C#N)CO)CCN(Cc2ccccc2)CC1 1636605024 JOBUZHRMDKGPDQ-SFHVURJKSA-N 416.522 1.937 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](Cc2nccs2)C1 1637205139 GMXAZGFOEALUIR-HIFRSBDPSA-N 404.517 1.773 30 10 HDEE CCOC(=O)CON=C(C(=O)N1[C@H](C)C[C@H](C)[C@H](C(=O)OCC)[C@H]1C)c1cc[nH]n1 1637764411 AAFXTWGLHMEOAN-CFAJVAMVSA-N 422.482 1.518 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCNS(=O)(=O)c1ccc(C(C)=O)cc1 1644597224 TWTNEHWXBNTMSX-UHFFFAOYSA-N 422.503 1.361 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@@H](C(F)(F)F)O[C@H](C)C1 1644822090 XUKRWPZHSQADSO-XUJVJEKNSA-N 419.425 1.793 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C(C)(C)C2)s1 1648090950 SUPKHZSXCWHZFG-LBPRGKRZSA-N 420.578 1.227 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1648633062 FWXNNRMSYBKSKE-NJDAHSKKSA-N 403.479 1.291 30 10 HDEE COC(=O)c1cc(Br)c2c(c1)CN(CC(=O)NC1(C#N)CCC1)CCO2 1648654500 PTCAZIWNNWVHBI-UHFFFAOYSA-N 422.279 1.993 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1648719388 MADLAILWRNSLJB-HRAATJIYSA-N 423.498 1.704 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCOCC1 1649537780 DYFVTKPLORPULO-WAOWUJCRSA-N 405.543 1.497 30 10 HDEE C#CCC1(O)CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 1650951827 SOIKCXYVNYHUNL-UHFFFAOYSA-N 403.504 1.224 30 10 HDEE C#CCN1CCN(C(=O)CN[C@]2(c3ccc(Br)cc3)C[C@H](O)C2)CC1 1654721531 HHIREPLJEJBMDA-IZAXUBKRSA-N 406.324 1.166 30 10 HDEE CN1C[C@@]2(C)CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@@]2(C)C1 1655234860 VFXVCESUAYKQEH-MZYLBHOOSA-N 413.541 1.808 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c(C)c1 1660940008 JUVOUBLKCICPII-CYBMUJFWSA-N 402.494 1.537 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1665796762 BTRYTNZWUYHHCN-OAHLLOKOSA-N 404.529 1.772 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)F)C1=O 1680321660 VKXPGOKMUSPBIT-OLZOCXBDSA-N 404.458 1.963 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCC[C@H](n3cc(CO)nn3)C2)CC1 1683180738 AZCFZCMQAPZVQB-IBGZPJMESA-N 409.494 1.658 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)NCC3(C#N)CCC3)CC2)c([N+](=O)[O-])c1 1683259421 UNMXOSRXMVEJJW-UHFFFAOYSA-N 421.479 1.524 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1684024779 GTBUQTMCLZSSJV-HUUCEWRRSA-N 419.544 1.037 30 10 HDEE Cc1ccc(CNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)cc1C#N 1685193822 XTFRRJNEBBORCO-SFHVURJKSA-N 406.508 1.203 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1689830862 CZGQICONSVVXOP-MGPUTAFESA-N 417.535 1.880 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(C)=O)CC1 1690003789 YGSMKBYNHWXPFF-QFIPXVFZSA-N 413.522 1.262 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1CC(=O)N(C)C 1690097786 OQCHULVRMGGNSU-UHFFFAOYSA-N 405.886 1.781 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CC(=O)NCC(F)F)CC1 1690136237 CDIRXSGZYXWYDM-ZDUSSCGKSA-N 410.469 1.139 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690354340 NKOGLLCGPIDKHS-YOEHRIQHSA-N 410.950 1.556 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690669720 MXUGTWXUZZSDQW-INIZCTEOSA-N 402.543 1.981 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC2(O)CCOCC2)C1 1690711914 KLVURPOLFHLURG-KRWDZBQOSA-N 419.526 1.113 30 10 HDEE CC(C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1691364742 SYEAJDMTYMJRDS-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE CC(C)NC(=O)Cn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1692565454 LGAOFPBLMOPBHV-UHFFFAOYSA-N 409.494 1.995 30 10 HDEE CCOC1CC(O)(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@H](C)C#N)C1 1696199859 HSYOPLBLGJJDMY-WCGZIJFHSA-N 416.482 1.532 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2ccc(C#N)o2)CCO1 1696968886 YQFLNOXKUBWVMZ-GOSISDBHSA-N 422.445 1.418 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCN1CCCC1 1698171226 XLURGBLMGGFUEW-PKOBYXMFSA-N 417.558 1.274 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC(=O)NC1CCCC1 1703035485 FBAYFEMHLBMBGL-QQXKLLMISA-N 403.523 1.665 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705516500 CQBVSOUFBOYPFF-QZTJIDSGSA-N 401.511 1.413 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705594936 XWGCXUMXCFMYMM-QGZVFWFLSA-N 412.519 1.085 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CC2([S@@](C)=O)CCC2)CC1 1705635658 FYVJUIKIEAELMT-MUUNZHRXSA-N 401.536 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](F)COC)CC1 1705649019 HHESQMNFHSJJQO-INIZCTEOSA-N 402.474 1.234 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705661445 BTCSBJLZWQYBOW-QZTJIDSGSA-N 419.595 1.838 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1705669118 DCEQZESJZRYQDZ-CIQXWFTPSA-N 418.538 1.851 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1705873738 UGGRAIVEYHQMHA-QGZVFWFLSA-N 401.559 1.434 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C(F)(F)[C@H](C)C1 1705890771 HXAUJMNYRJGRDY-HZSPNIEDSA-N 419.498 1.525 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1705899663 BQLOQXGZFKYNFX-UHFFFAOYSA-N 411.510 1.337 30 10 HDEE CCOCc1nnc(N2CCC[C@@H]2CSC)n1CCN/C(O)=C1/N=CC=CC1=O 1710718662 VCUVMBQNGANVFY-MGPWXQLLSA-N 420.539 1.673 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC[C@H]1C 1712090661 YUQCFPYKGVNDLT-APWZRJJASA-N 422.493 1.882 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC1CCN(C(C)=O)CC1 1712454351 MVQQZXVMWANWBV-IBGZPJMESA-N 418.542 1.797 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1722344433 JMBIQTPWCJLWHO-AWEZNQCLSA-N 405.524 1.233 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC)CCCC1 1722353238 UMEGWEVELYIHEH-MRXNPFEDSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCC(F)(F)F 1722376405 ZWEUVZGMGUSIHR-UHFFFAOYSA-N 410.787 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOC)CCC1 1722396039 FNONUYYMYQDIQJ-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1722412348 YIELIVSCGMTICB-MRXNPFEDSA-N 403.508 1.132 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCO[C@@H]1C(C)C 1722419101 NNDOROUOAZBMMX-ZWKOTPCHSA-N 403.527 1.661 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN2CCC[C@H]2C)CC1 1722446130 OALAVKQZOKXANO-QGZVFWFLSA-N 422.537 1.185 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1722458563 NFLNUBKTDJPOKV-CYBMUJFWSA-N 400.464 1.101 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722603995 RQCCCESTPRFHJK-SJLPKXTDSA-N 418.567 1.713 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(F)c1 1722698798 MKIPFHWQZGDMDE-OAHLLOKOSA-N 403.458 1.868 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722741938 BGEYZKSQCZZKOH-SFHVURJKSA-N 416.551 1.524 30 10 HDEE CCc1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1727537562 VWZQDPFDAOKTDI-SJORKVTESA-N 406.556 1.785 30 10 HDEE CN(CC1CCC1)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729460784 JYSUSYSZVWYIBA-MXLIYFDZSA-N 414.510 1.935 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(CC(N)=O)CC2)C1=O 1729593348 VALHVWWOJQIEEF-JOCHJYFZSA-N 421.505 1.387 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1730844230 SDCYYBFIYGRHRJ-KUHUBIRLSA-N 410.494 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1740553065 QQYBVRZCGJQJON-RCCFBDPRSA-N 407.584 1.903 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCCn1cc(CO)nn1 1740602894 YWBCOVQTTYDSSS-UHFFFAOYSA-N 417.477 1.579 30 10 HDEE C#CCN(c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1740625074 MCHOBUCORQUSKI-KRWDZBQOSA-N 420.510 1.406 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740627832 SQSQLDCDRGVCOG-ROUUACIJSA-N 421.611 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)CC)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1740631369 QXDCIRCMURNYLR-BCYZHJNNSA-N 405.502 1.672 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1740738151 DSEDSNSLTAVJEJ-MIMYLULJSA-N 410.313 1.591 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCN1CCOCC1 1740764841 KIQLERZRMUWROL-IPMKNSEASA-N 405.543 1.879 30 10 HDEE C=C1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N2CCSCC2)CC1 1740821890 BIACJQSRUCDTOE-UHFFFAOYSA-N 422.580 1.808 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1740937599 KAAYPCUZNYJCRY-MRXNPFEDSA-N 400.483 1.582 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1740955884 HRJKASSPLKUQDU-SFHVURJKSA-N 422.493 1.437 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1741292377 GSXUFPLMCFRLPA-UHFFFAOYSA-N 413.482 1.122 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1741394409 CWLZCIQMHDGVBF-LZICOFPGSA-N 424.509 1.687 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCSCC1 1747442296 ASLOEINLESBTIU-UHFFFAOYSA-N 406.537 1.309 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1748686030 JMYRHYFJUIADLD-GCKMJXCFSA-N 400.479 1.864 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1748892733 WGDBOFKBHLKBNA-GOSISDBHSA-N 403.552 1.129 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(CNC(C)=O)CC1 1749020634 ZEUGOJKQDSJDJY-UHFFFAOYSA-N 406.556 1.135 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1749066976 OFCDBFVRKKCCRF-KGVIQGDOSA-N 415.538 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1749119170 OLFIATQKONXQQZ-WMZOPIPTSA-N 411.572 1.818 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1749439779 JJBOCPSSEJFSFF-UXHICEINSA-N 405.499 1.927 30 10 HDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1749495861 DRUAVVVFCXXECV-UHFFFAOYSA-N 402.524 1.864 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1749634716 IDSUJKGPMPBTOY-OAHLLOKOSA-N 424.596 1.928 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CC2(C(N)=O)CCOCC2)C1 1749710590 YWTKQENALXGKFH-KRWDZBQOSA-N 403.527 1.999 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2snnc2C)C1 1749712238 GYRGFTRHCXGNKL-KBPBESRZSA-N 424.552 1.170 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C)s2)C1 1749717997 SPJRAXPJXCSVRY-AWEZNQCLSA-N 403.512 1.390 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H]1CCOC1 1749725445 UTUXDMFAOGDWGJ-MRXNPFEDSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCCCC2)C1 1749734535 KFYIHFSAKAQZKH-MSOLQXFVSA-N 423.583 1.447 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCCOC(F)(F)F)cc1 1750384528 DACTUXUVZSNUEM-UHFFFAOYSA-N 424.383 1.591 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Br)n1 1760160850 QEYZHLVTLYORQP-UHFFFAOYSA-N 403.284 1.789 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1Cc1cccc(OCC(N)=O)c1 1760167019 ZAIVWVQENHFUGS-UHFFFAOYSA-N 410.865 1.975 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1CCNC(=O)Cc1cccc(F)c1 1760208702 YGPDHGSRMWYFMD-LJQANCHMSA-N 409.465 1.700 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cncn1 1760249872 UPEOZMSDBOKBNY-GOSISDBHSA-N 409.450 1.168 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](CCC)OC)CC1 1760272898 DIGIOGDDMACNJY-QZTJIDSGSA-N 403.527 1.911 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H](C)C(=O)NC 1760310317 BAWOGPHWYGOMJH-NSHDSACASA-N 413.320 1.127 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1760325200 PJESGGNQQSLAOV-YLJYHZDGSA-N 403.527 1.590 30 10 HDEE C=CCCCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1760424798 VAJIBCANDXAAFQ-QGZVFWFLSA-N 408.506 1.757 30 10 HDEE C=CCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1760513166 NEXPBSAUDLXXBT-OAQYLSRUSA-N 419.526 1.191 30 10 HDEE CC(=O)N1CCN(CCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1 1760623343 UGURWOVYQHQCFK-SJLPKXTDSA-N 403.531 1.075 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1760698841 QIWJPABITQPGSK-HNNXBMFYSA-N 401.515 1.303 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CCNC(=O)C(C)C 1770196828 LRMCRVJHGFFJKM-ROUUACIJSA-N 418.542 1.904 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1=CCCOC1 1771544259 OSJPVKALHHEIPN-QGZVFWFLSA-N 405.524 1.657 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2cccc(C#N)c2)CC1 1849840355 GCIXVPJWYVJYKJ-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE Cc1nn2c(C)c(C(=O)Nc3ccc(C(=O)N4CCOCC4)cc3)cnc2c1C#N 1851257433 QVFJZVXMFRPIEI-UHFFFAOYSA-N 404.430 1.943 30 10 HDEE Cn1c(=O)ccn(C2CCN(C(=O)C3CCN(c4ccccc4C#N)CC3)CC2)c1=O 1853054462 VZVVUKJAWQRWMJ-UHFFFAOYSA-N 421.501 1.499 30 10 HDEE C=CCC1(S(=O)(=O)N(Cc2cnnn2C)[C@@H](C(N)=O)c2ccccc2F)CC1 1853512398 WLDIBWWMFDFMKO-MRXNPFEDSA-N 407.471 1.421 30 10 HDEE Cc1c(CN(C(=O)c2cccc(C#N)c2)[C@@H]2CCc3nn(C)c(=O)cc3C2)cnn1C 1853539904 OUIJBNMKONOGSX-HXUWFJFHSA-N 416.485 1.894 30 10 HDEE C[C@H]1CCCN(C(=O)CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1853830687 ITWYPWNAIITVNW-HNNXBMFYSA-N 416.909 1.949 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCCN(C(=O)CCn3cncn3)C2=O)CC1 1853852880 BEILUFPITHHXMP-LJQANCHMSA-N 406.490 1.743 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2noc3ccc(C)cc23)C1=O 1854193232 HULYPEAXHPPUNT-ZWKOTPCHSA-N 410.474 1.525 30 10 HDEE CN1CCN([C@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)[C@H](C2CCOCC2)C1 1854215400 YIJVJDHFYJNXRK-SFTDATJTSA-N 410.518 1.271 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)[C@@H](C)C2=O)cc1C#N 1854750224 NWVGHNIVGXLWRR-XJKSGUPXSA-N 422.407 1.703 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@H](N3CC(Oc4cccnc4)C3)C2=O)CC1=O 1854884233 VGSAKFPMBRDSOH-LPHOPBHVSA-N 412.490 1.087 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3noc4ccccc34)C(=O)C2)C1 1854966696 GFJFNQDJCFHTPU-SJORKVTESA-N 409.490 1.808 30 10 HDEE Cn1nnc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c1C(F)F 1855571215 SVEUNUMMKXXBOO-CHWSQXEVSA-N 406.437 1.900 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855593888 PQYPEKDHUMIGPT-GOSISDBHSA-N 403.504 1.826 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(C(=O)CN3CCCC3=O)C2)CC1 1855870613 UJACZGDVGOTAKZ-GOSISDBHSA-N 408.502 1.541 30 10 HDEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CCN(CCC#N)[C@H](C)C2=O)CC1=O 1856198224 GUHCLBKCWCBVSG-HUUCEWRRSA-N 402.882 1.974 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccncc3)C(=O)C23CCCC3)cc1 1856280188 IVNSBMWBZGRVEL-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCN(CC(=O)c4cccs4)CC3)C2=O)cc1 1856523586 AGEOCONYXPAMIK-GOSISDBHSA-N 422.510 1.861 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3CC[C@H](N(C)CCC#N)C3=O)nc12 1856542730 MQXCDTXDEJGRFE-ZDUSSCGKSA-N 401.492 1.714 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)C1(C)C 1856774813 JWLYIAJXVWALOW-HNNXBMFYSA-N 420.535 1.692 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@@H]3CCc4ccccc4O3)CO2)cc1 1856792188 PTAKCDRFUWDBKL-LPHOPBHVSA-N 414.439 1.800 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC[C@@H]1CCCO1 1856897371 XMJSBWHYTVVIBG-INIZCTEOSA-N 419.503 1.986 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3c(=O)oc4ccccc43)C2)CC1 1856983687 OODUSWRWFPKWOF-KRWDZBQOSA-N 410.474 1.985 30 10 HDEE C=C(C)CN1C[C@H](C)C(=O)N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1857039173 ZKJZTSGZXPSWMV-KBXCAEBGSA-N 419.503 1.181 30 10 HDEE COc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1F 1857041347 IUHMVECKJMCRGJ-HNNXBMFYSA-N 423.466 1.388 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)CC1 1857069009 SWGISSLBFKWPQH-UONOGXRCSA-N 413.375 1.493 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@@H]1CCN(C)C1=O 1857079046 AGDRSGNYNUTIPE-FUHWJXTLSA-N 414.506 1.578 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1857221387 MHCLZWHQJOBYIU-MRXNPFEDSA-N 421.494 1.600 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](NS(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1858298743 XZMYDXKLRCALDJ-HNNXBMFYSA-N 400.416 1.659 30 10 HDEE CCS(=O)(=O)Nc1ccc2c(c1)OCCN2S(=O)(=O)c1ccccc1C#N 1858486874 ZQUIAHYPWICSLQ-UHFFFAOYSA-N 407.473 1.908 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)C(C)(C)[C@H]3CCCO3)CC2)CC1 1889305639 ABMYDESTFROTDV-OAQYLSRUSA-N 405.583 1.840 30 10 HDEE O=C(OCc1ccccc1)N1CCc2nn([C@H]3CCS(=O)(=O)C3)c(C=NO)c2C1 2069970511 QIWAAXMRVBIEFH-HNNXBMFYSA-N 418.475 1.746 30 10 HDEE C#CCCN1CC[C@@H](NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2139349334 UTMCTVQIMHWQRT-QRWLVFNGSA-N 421.494 1.028 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(F)c(F)c3)s[nH]2)OC1(C)C 2166426188 VGJQTEDNFRMDRF-UHFFFAOYSA-N 403.241 1.338 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H](CNS(=O)(=O)N2CC(C#N)C2)C1 2174771781 RIGWHKMOXVMUIH-NWDGAFQWSA-N 412.434 1.322 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC1(C)C 2174779014 DRQNKOHZAIECAE-CABCVRRESA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1CCO 2174779938 OMCKFKKVQYLYRR-HNNXBMFYSA-N 401.529 1.704 30 10 HDEE CO[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)[C@](C)(CNC(=O)OC(C)(C)C)C1 2174782358 POJDZIUDFPQRPS-ZQIUZPCESA-N 402.517 1.081 30 10 HDEE C[C@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cc(C#CCO)cs1 2177660122 JOEUVGIKBVPYJF-HNNXBMFYSA-N 406.529 1.888 30 10 HDEE Cc1cc(CN(C)S(=O)(=O)CS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2202314200 UVYGWJLLMJIQAV-UHFFFAOYSA-N 423.387 1.119 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCN(CCCNC(=O)OC(C)(C)C)CC1 2234454672 YVUDRGXNSPBPDU-MRXNPFEDSA-N 402.561 1.644 30 10 HDEE CN(CCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243387569 WQSWVMLFNNWASR-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243419130 RWXHBQAVGURULQ-DGCLKSJQSA-N 406.292 1.352 30 10 HDEE CC(C)(C)OC(=O)NCCCN1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247936503 BGDFBWREZGKNEQ-UHFFFAOYSA-N 421.347 1.680 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258164493 SKGGKNFRWDJMPF-NVXWUHKLSA-N 408.476 1.129 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2258165149 CBRDKGLHVAPUMS-DLBZAZTESA-N 408.476 1.176 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258183887 ZTFCGIWJXVOVQU-OAHLLOKOSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC3=O)cc2Cl)OC1(C)C 2267352146 BLFWVBWFGZHHDO-VIFPVBQESA-N 407.706 1.295 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267412523 OBLIUWCUTIYMGE-CMPLNLGQSA-N 407.388 1.438 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H](C)C1N 2282336515 FGZWMRPMMNFKME-RYUDHWBXSA-N 400.375 1.651 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282631978 FAJMZQITAAUNJN-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@]3(C)CNCCO3)c2Cl)OC1(C)C 2282640627 QALMBSIWADJNGM-QGZVFWFLSA-N 400.737 1.809 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)CC[C@H]1C 2282825959 NYZZQBCBMRDGHY-YPMHNXCESA-N 401.359 1.890 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282834615 WUTDIKLXBYLEDF-RUZDIDTESA-N 421.777 1.638 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CC[C@H](N)C2)OC1(C)C 2282842766 CRGCNOBZPOLPKO-JSGCOSHPSA-N 400.375 1.594 30 10 HDEE CO[C@@H]1CCOC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849637 FAYQTPLRNFNDOM-VXGBXAGGSA-N 403.331 1.130 30 10 HDEE Cc1cc(S(=O)(=O)N2CSC[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284407725 OJCDKGVWCDFTEL-JTQLQIEISA-N 419.355 1.504 30 10 HDEE CN(OCC(=O)O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284409998 PXJBABMCEWWTFK-UHFFFAOYSA-N 405.665 1.276 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(CC(=O)O)C1 2284411364 JHPBPBGYKVUAKM-UHFFFAOYSA-N 401.315 1.451 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CC(=O)O)C(F)F)OC1(C)C 2284412270 TYEBQQKQCYVMDM-VIFPVBQESA-N 411.257 1.434 30 10 HDEE CNCC(C)(C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2288916027 YXENWVPPGUVFPX-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OCCNS(=O)(=O)N2CC[C@H](C#N)C2)C1 2290018160 BHQWDVWWOIUYSX-CABCVRRESA-N 402.517 1.082 30 10 HDEE CCCNC(=O)CSc1nnc(C)n1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321122143 TYOMGLMXSJUSDA-UHFFFAOYSA-N 420.451 1.766 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)c1nc(Br)nn1CCOC 2328462546 QZLSTWLKQHEFLM-NEPJUHHUSA-N 416.320 1.994 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)[C@@H](O)[C@H]3CF)sc2Cl)OC1(C)C 2359279587 QTRGTPXJQKRYLZ-FOGDFJRCSA-N 405.684 1.216 30 10 HDEE COC1(C#C[C@@H](N)[C@H](O)c2ncc(I)s2)CCOCC1 2363667369 XYUBFCFCTMFOJD-KOLCDFICSA-N 408.261 1.307 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2365203373 SIBAGJQYLXUPDE-PMPSAXMXSA-N 402.557 1.816 30 10 HDEE CC(C)[C@H]1C[C@H](O)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2370840793 BEQFKEOJPFIPIH-GXTWGEPZSA-N 401.359 1.827 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2375202349 XTYNZNXJPJCEGD-KSSFIOAISA-N 402.513 1.257 30 10 HDEE CC(=O)Nc1cccc(NC(=O)C(=O)NCC2CCN(c3ncccc3C#N)CC2)c1 70896935 OTGLOIVVCPDGKV-UHFFFAOYSA-N 420.473 1.883 30 10 HDEE CCOc1cc(/C=C2/NC(=O)NC2=O)cc(I)c1OCC#N 96569721 OLWNMFNFTDYHFI-UXBLZVDNSA-N 413.171 1.773 30 10 HDEE CN1C(=O)/C(=C/Nc2ccc(Cl)c(Cl)c2)C(=O)c2c1n(C)c(=O)n(C)c2=O 106350356 DQCPALVOTPRTDX-VQHVLOKHSA-N 409.229 1.546 30 10 HDEE C=CCN1C(=O)C(c2ccccc2OC)=C(N2CCN(c3ncccn3)CC2)C1=O 170059729 AFIWWVLPBGJXBC-UHFFFAOYSA-N 405.458 1.573 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1 409477067 VXFJVVUBUNYAJE-HNNXBMFYSA-N 416.507 1.196 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@H]1c1ccc(F)c(F)c1 409493732 XEFXYGJGEVCZIV-FHLIZLRMSA-N 414.478 1.547 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 410071321 RVUOUYOBXWKWBK-INIZCTEOSA-N 418.471 1.925 30 10 HDEE CC1(c2cc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)no2)CCCC1 435119272 MHFGJONIFLICMI-UHFFFAOYSA-N 408.462 2.060 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(Br)c2)CC1 439245114 HWFNCIZLYVAPHU-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE COC(=O)[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(F)cc1 463439117 ZKOOXIVHSYDLSP-RXVVDRJESA-N 404.486 1.496 30 10 HDEE N#C[C@H](NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12)C1CC1 464398679 WVLVHNFYXROKSN-YISTTZDESA-N 401.466 1.884 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N[C@H]2CCCN(CCO)C2=O)n1 473782782 IXBNMVHBVKTCIX-AWEZNQCLSA-N 402.842 1.502 30 10 HDEE COc1cnccc1N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 483231184 QPCSURCLVNUDHV-UHFFFAOYSA-N 417.473 1.908 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)cc1 486611240 JXPDTXMXSHCNHD-IBGZPJMESA-N 412.446 1.790 30 10 HDEE CN(C[C@]1(O)CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(F)c(C#N)c1 494558925 SMMWFMYYIRUGAZ-HXUWFJFHSA-N 403.479 1.955 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C#N)C2CC2)CC1 505947738 KGHQYQZPJBQORE-MRXNPFEDSA-N 406.464 1.722 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C 519874927 YHDWQGAFDWSAID-UHFFFAOYSA-N 409.402 1.369 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(CCC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 522661167 KAMAJZCCKJPKFF-CYBMUJFWSA-N 410.565 1.841 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)[C@@H]2C1 537244110 XHOUUIHBTFVZPA-MKXGPGLRSA-N 418.563 1.725 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)c1 539598864 WKWKESOASUFDHP-UHFFFAOYSA-N 410.499 1.082 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 543309883 RLYUXTVFQHCRMU-MRXNPFEDSA-N 410.434 1.786 30 10 HDEE N#CCCn1cc(CNc2ccc(C(=O)NCC(N)=O)cc2)c(-c2ccncc2)n1 549686967 DHODXLRISMWQFH-UHFFFAOYSA-N 403.446 1.686 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)cc1 557721945 LOOOAXCJIGZSIH-OIISXLGYSA-N 402.882 1.869 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 560810692 CFWOYZYYMFXELJ-INIZCTEOSA-N 406.508 1.318 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 564384797 YUIGHFRWCHQNEO-RDJZCZTQSA-N 410.526 1.728 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COc3ccccc3CC)n2CC)CC1 569829507 YQTHMDLIEYXWSX-UHFFFAOYSA-N 412.538 1.864 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)[nH]c2c1 587659769 YLCNLSPNVCUUBG-UHFFFAOYSA-N 417.473 1.539 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)c2c(Cl)cc(C#N)cc2Cl)CC1 589979054 DRMXFBPBBFOHLQ-UHFFFAOYSA-N 405.307 1.819 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCCCN3CCCS3(=O)=O)CC2)cc1 608793940 SKGUZIYJTNICAU-UHFFFAOYSA-N 419.551 1.201 30 10 HDEE CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(c3ncccc3C#N)CC2)c1 619558630 ARMLQGDIAILISY-LJQANCHMSA-N 410.474 1.692 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(=O)OC)C1 619834265 IXLWANPIBNRGHH-MRXNPFEDSA-N 408.466 1.886 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CCC(C(N)=O)CC1 729280070 JGNRXSIHQBQCAY-XUJLQICISA-N 420.535 1.444 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC2)cc1F 730143723 DDTPISUPJOPDIC-INIZCTEOSA-N 408.499 1.996 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O 730144119 XRSRDLDTMLJHEA-SJORKVTESA-N 404.536 1.865 30 10 HDEE O=C(CSCC(=O)Nc1ccc(F)cc1)NCCN/C(O)=C1/N=CC=CC1=O 735116266 FRUYJCNQNZSTGQ-ZCXUNETKSA-N 406.439 1.140 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c2ccccc2O1 747496509 MJTDMFSHCWIUGT-GOSISDBHSA-N 409.398 1.150 30 10 HDEE N#Cc1ccc(O)c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 751215414 NAMRNQQDVNPVPT-UHFFFAOYSA-N 407.473 1.849 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)N(CCC4=CCCCC4)C3=O)CC2)n1 760551560 NZTPWWZUKOFXPD-UHFFFAOYSA-N 422.489 1.714 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2CCOCC2)c(F)c1 770133099 MEMNEBSQINTFEI-UHFFFAOYSA-N 403.435 1.961 30 10 HDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1)[C@H]1CCS(=O)(=O)C1 774049863 WRJXYPHLDDCKTG-INIZCTEOSA-N 413.521 1.493 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 774154511 IIRXJWFJKZHCOG-IBGZPJMESA-N 417.531 1.645 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 777284232 CMAOYVUKMXUELC-UHFFFAOYSA-N 409.464 1.140 30 10 HDEE C#CCn1ccc(CN(CCOC)c2ccc(S(=O)(=O)N3CCCC3)cn2)n1 788559733 MSWLVFICEWBFJY-UHFFFAOYSA-N 403.508 1.349 30 10 HDEE COc1ccccc1-c1ncc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C)c2=O)cn1 793468847 NBIJNVHLBSUOGZ-UHFFFAOYSA-N 420.494 1.641 30 10 HDEE C[C@@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)n1cnc(C#N)n1 798361188 XUUHVKYOIBENCV-QMMMGPOBSA-N 400.311 1.755 30 10 HDEE C#CCN(C(=O)Nc1cccc(C(=O)OC)c1OC(C)C)[C@@H]1CCS(=O)(=O)C1 799247519 SZWLRABHUBWCCC-CQSZACIVSA-N 408.476 1.915 30 10 HDEE Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N 799548054 DWIBJYXPBOMVEU-UONOGXRCSA-N 415.471 1.937 30 10 HDEE CC[C@@]1(C)NC(=O)N(N=Cc2ccc(S(N)(=O)=O)c(Br)c2)C1=O 807954627 XEUQUHJMGXDHFF-CYBMUJFWSA-N 403.258 1.151 30 10 HDEE Cn1cc(/C=C/C(=O)OCC(=O)c2cn(CCC#N)c3ccccc23)c(=O)n(C)c1=O 809248116 OXBZPJGSYLYTLE-CMDGGOBGSA-N 420.425 1.392 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 810091116 GRIKXMLVRYXBKQ-AWEZNQCLSA-N 421.548 1.287 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 812051507 REQFUTANIIRUNI-NVXWUHKLSA-N 403.508 1.117 30 10 HDEE C#CCN(C(=O)c1cnc(OC2CCOCC2)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1125954128 PLWWBIXATKDSHW-CQSZACIVSA-N 412.895 1.555 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CCN(C4CCC4)C3=O)CC2=O)cc1Cl 1132028045 ODYLWSDEONTMIT-SUMWQHHRSA-N 400.866 1.834 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(I)nn1C)C(=O)OCC 1132192447 HLBZLYADUYEILF-QMMMGPOBSA-N 411.627 1.829 30 10 HDEE N#C[C@]12CN(C(=O)CCc3ncc(-c4ccc(F)cc4F)o3)C[C@H]1CS(=O)(=O)C2 1134645372 IGHIJSPVYHONJT-HXPMCKFVSA-N 421.425 1.949 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H]3CS(=O)(=O)NC)n[nH]2)c1C 1137061432 HXCBOBGECUXEEA-AWEZNQCLSA-N 406.512 1.230 30 10 HDEE N#Cc1cc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)ccn1 1139855761 LDROHMYJLUQBCF-MEQKGCOVSA-N 403.442 1.373 30 10 HDEE O=C(CCN1CCOCC1)Nc1cccc(CNC(=O)c2cccc(C#CCO)c2)c1 1141935397 WXQFRDAYJGJVQR-UHFFFAOYSA-N 421.497 1.621 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(C(N)=O)CCCC3)C2)C1 1146446676 DVIURUQFLVWKLU-FAGJFJLWSA-N 404.511 1.935 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C[C@H](C)OC[C@H]3C)ccc2c1=O 1146890656 LVYKTPXHKPYIQS-KGLIPLIRSA-N 402.520 1.710 30 10 HDEE N#C[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1cccc(Br)c1 1151050706 ZPZFYBLLTBMXDV-OAHLLOKOSA-N 424.276 1.856 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc3c(s2)COCC3)cc1 1179286360 LWPPVGVKYJYRMF-UHFFFAOYSA-N 407.517 1.653 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@@H](C)C(=O)OC(C)C)c(C#N)cn1CCOC 1203096808 BDFJLDHPLAHOPC-CYBMUJFWSA-N 408.455 1.892 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1224160953 WYOJFIFOXAQRLD-GOSISDBHSA-N 419.478 1.488 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCCS(=O)(=O)N2CCCC2)CC1 1234047291 DYLJZMYXQAUWTF-UHFFFAOYSA-N 405.524 1.252 30 10 HDEE COCCN(CCOC)C1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1235531649 RBKKOHIWHRZEPB-FQEVSTJZSA-N 400.523 1.794 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccccc2Br)C1 1248675982 JMMMXHVHHVIDSH-WMLDXEAASA-N 419.323 1.729 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)NCCCS(N)(=O)=O 1252418789 SDVMACAXOGWBSQ-UHFFFAOYSA-N 408.293 1.964 30 10 HDEE C#C[C@@H](NC(=O)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O)C1CCOCC1 1253349238 ZVDHYBFEBIVVAQ-QRYYFKOISA-N 414.487 1.846 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253780150 WIUVQJGUFHBNMP-IRXDYDNUSA-N 421.538 1.779 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1255364807 RTHDOSWYPJXHRW-KRWDZBQOSA-N 405.506 1.656 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286336390 RDQMILWLSVHVDP-HNNXBMFYSA-N 404.515 1.933 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1286358163 BWTOQFBBAQAGET-UHFFFAOYSA-N 405.466 1.361 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1286380022 FZPSUIFDMHRVGN-YESZJQIVSA-N 419.551 1.358 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2C[C@@H](C)O[C@H](C)C2)CC1 1286469442 FKYWEWGDUZYWBV-IAGOWNOFSA-N 402.543 1.375 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)CC2CC2)CC1 1286479817 XZMSQHJCJVONKA-UHFFFAOYSA-N 407.584 1.447 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286635334 PSHQLAHBAWWFGN-PBHICJAKSA-N 418.947 1.695 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 1286711508 OYPLOINCLPJAFE-UHFFFAOYSA-N 413.526 1.629 30 10 HDEE CC1(C)CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1289003413 GUXFLPNFDNMWFJ-BZUAXINKSA-N 407.540 1.735 30 10 HDEE C[C@@H]1N(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1291319897 IIRBCDFSSUGTTF-HLAUDOPJSA-N 414.510 1.761 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)c2cc(F)c(C#N)c(F)c2)c1 1293032550 DSKQVFUMAOVZTM-SNVBAGLBSA-N 422.413 1.502 30 10 HDEE COc1ccc(CN2CC[C@@H]2C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1 1296471872 JSEBHGGBVAQHQT-HXUWFJFHSA-N 408.506 1.532 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1OCC 1300274893 ZUTCGOONEJVPDF-HOTGVXAUSA-N 419.551 1.988 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300403293 HGIGORROVNKKOJ-UHFFFAOYSA-N 416.551 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CCC 1300664087 OHCDACBEQIOJGR-FQEVSTJZSA-N 403.483 1.643 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1300733610 LHBRLGNBWWORDU-MJGOQNOKSA-N 418.611 1.757 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN(C)C(C)C)CC1 1301499078 WZMBUZSBYNPCOG-KRWDZBQOSA-N 417.558 1.088 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1301586542 HEOAFPCTXOVTFA-UHFFFAOYSA-N 424.596 1.841 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1301982172 PDRXYQJDODZUAN-QKLQHJQFSA-N 420.583 1.933 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1303935817 XQLALKNDLNLVAT-LAUBAEHRSA-N 416.526 1.945 30 10 HDEE C[C@]1(Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1303991739 NWOHVCFJIDPRLY-PXNSSMCTSA-N 401.442 1.542 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC1(S(C)(=O)=O)CCC1 1304853212 ICHISQXOFCAFPE-UHFFFAOYSA-N 415.523 1.147 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305325293 CZWBZMCVHUPNEJ-URLQWDBASA-N 409.556 1.717 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1 1306884966 QBTCLHYMNIYCLU-UHFFFAOYSA-N 416.459 1.332 30 10 HDEE COC(=O)c1cnc([C@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1308600024 GSCMDOSZATUSDO-ZDUSSCGKSA-N 420.516 1.869 30 10 HDEE CC(C)(C)OC(=O)[C@H]1c2ccccc2CCN1S(=O)(=O)N1CCO[C@@H](C#N)C1 1309700935 GGMUZSAZWBSRHC-DOTOQJQBSA-N 407.492 1.397 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccccc2OCC(=O)N2CCOCC2)C1 1310380653 VSLXVAAJVLQOGS-KRWDZBQOSA-N 400.479 1.143 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)c(C#N)cn1CCOC 1310523088 HYVCYCQMNZNQHF-BGYRXZFFSA-N 422.482 1.028 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1316173604 GMTYIDDLGNTPGK-JXXFODFXSA-N 407.515 1.672 30 10 HDEE COCCOCCCn1c([C@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1316262258 RDLUOZSBZGQJPF-WMZOPIPTSA-N 404.515 1.012 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nncn2C2CC2)C1 1327511960 CVXKLRDXQHJCFO-HUUCEWRRSA-N 417.539 1.677 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1 1357272495 HROXWCYBIFVOIZ-MRXNPFEDSA-N 408.462 1.414 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(Cn2ccnn2)CC1 1358937158 KOESXEDYLVLVPR-OALUTQOASA-N 413.526 1.924 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1358954162 XLCJGAUMWTXLLZ-UHFFFAOYSA-N 401.442 1.315 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1358961331 WNEHAWYQELRVQQ-HOTGVXAUSA-N 417.560 1.862 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCS(=O)(=O)C1 1359021432 OLFLVISSTVTKGF-CQSZACIVSA-N 423.926 1.514 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(C)c(OC)c1 1359026707 IEZJNSHITHBYHZ-UHFFFAOYSA-N 411.506 1.852 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359129135 RXPPIJXOENMMRJ-LJQANCHMSA-N 421.505 1.965 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1359277556 PEKVGNLECBGRHB-IAGOWNOFSA-N 421.567 1.958 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359287759 UKFIMFQQDBNGRD-ZDUSSCGKSA-N 421.483 1.312 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1359298272 TYNWANZFXFDTOT-INIZCTEOSA-N 411.510 1.318 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1C[C@@H](C)O[C@H](C)C1 1359305102 STSSMARGECXYQK-HUUCEWRRSA-N 403.458 1.912 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC(C)C)N(C)C)C1 1359319713 DUWBYDXXXQUOSA-KURKYZTESA-N 404.559 1.987 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1440759367 DLFUZYBTTPJFAW-HNNXBMFYSA-N 417.466 1.058 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCCC(=O)OC 1442562039 OCIQUGXOMAIYNW-HNNXBMFYSA-N 409.508 1.743 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)c1 1445526969 NGSZTFMGGXXSND-QZTJIDSGSA-N 409.483 1.496 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccccc1Sc1ccc(S(=O)(=O)NC)cc1 1450522334 FKLULCWMRMZUTR-CQSZACIVSA-N 404.513 1.860 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N=[S@](C)(=O)c2ccc(N(C)C)cc2)c1 1454635455 ZBXVGPXYYWQZDW-HHHXNRCGSA-N 419.528 1.961 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 1456938732 LKFMPODCPJZLGT-PBHICJAKSA-N 421.519 1.711 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(NCC3CC3)CC2)cc1 1457907147 MKCSLWWPCPSCFL-UHFFFAOYSA-N 407.536 1.118 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1462926771 ODAJPZZAHAUTFA-GFCCVEGCSA-N 412.899 1.009 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(F)(F)F)C(=O)OC)s1 1466707745 UEBXXKVFKHAXQN-SNVBAGLBSA-N 414.427 1.365 30 10 HDEE Cc1onc(CC(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)c1C#N 1469286048 CDRDSEHLQNDQQL-DOTOQJQBSA-N 414.466 1.650 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1 1470253043 FNKFYVQHDHRGSH-UHFFFAOYSA-N 411.462 1.461 30 10 HDEE C#CC1(O)CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1470794634 RVQPOVNBFQVBQD-QAPCUYQASA-N 401.511 1.278 30 10 HDEE C#C[C@H](NC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)(C)C 1471320577 QXZFBKIQAQMGBF-CABCVRRESA-N 415.556 1.758 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@H]2[C@@H](C(=O)OC)C2(F)F)CCCN1C(=O)OC(C)(C)C 1471625157 UGCOGUSGRVHSGP-LXIYXOSZSA-N 400.422 1.950 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)C1 1471832836 KGNULAYLMHYHEL-ODEHLZOCSA-N 408.502 1.004 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1472293940 ZWSKBZUWEYFMTB-IRXDYDNUSA-N 423.510 1.202 30 10 HDEE C#C[C@H](NC(=O)N(CCOC)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)cc1F 1478901668 UYUOQOGFRVKDGA-CJNGLKHVSA-N 402.875 1.999 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1)[C@@H]1CCS(=O)(=O)C1 1479134403 WHHSOJHOVTUOSQ-WOJBJXKFSA-N 419.547 1.028 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)cs1 1492675118 NIOFJYYATTXWTA-KRWDZBQOSA-N 401.475 1.758 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCOCC1 1507663143 UOSHRZPOBHJAHX-UHFFFAOYSA-N 421.501 1.666 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(O)CCC[C@@H]2C)CC1 1507741530 WKLGYQUFVSRIFJ-HRAATJIYSA-N 403.527 1.332 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1507755541 VEUMUOROPDCEGG-WIYYLYMNSA-N 419.595 1.840 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1507836910 DHYPLWYLTXPZRA-QAPCUYQASA-N 413.544 1.098 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1507844422 JQPMGQBEDNYFIP-VAMGGRTRSA-N 419.570 1.922 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507954830 QGFBIQTWVBPGBJ-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1508075154 OTSWPTJWVQXGIV-KDURUIRLSA-N 417.602 1.699 30 10 HDEE CC(C)C(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOCC1 1508803655 AGJAVMAUBGWOAC-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN(C)CC(F)(F)F)n1 1511136879 CJMXMQSKKZXFHO-CQSZACIVSA-N 409.416 1.871 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCSC)CC1 1518650226 BXHGZZYCSQRQIK-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cc[nH]n2)CC1 1521120816 ASAVDAAVQPBBKB-UHFFFAOYSA-N 410.507 1.823 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](C)(C#N)C3)CC2)cc1OC 1533644567 HLQLVHBDWCRVTQ-FQEVSTJZSA-N 421.519 1.867 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](C#N)C3CCCC3)c2)CC1 1536414563 BEMGJDVSSBZFFY-LJQANCHMSA-N 418.519 1.352 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C(=O)N[C@@H](C#N)C2CC2)(C(=O)OC(C)(C)C)C1 1537848828 JQDRQENLJYURGG-VBKZILBWSA-N 409.483 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(OC)CCOC1 1539299879 OKNFVMUISQYYNC-VXKWHMMOSA-N 416.522 1.587 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCC(=O)N(C)C)CC1 1539453900 UAZNUYDICOOVPZ-UHFFFAOYSA-N 408.550 1.801 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=C)Cl)CC1 1539460103 WJFLIHVHNDOPMR-UHFFFAOYSA-N 404.927 1.777 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539621784 SRLOLORWAIBYBF-AYBZRNKSSA-N 402.543 1.357 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C[C@@H]2C(=O)Nc3c(Br)cccc32)CC1 1539702433 DXJWBVGRYSLHTQ-AWEZNQCLSA-N 418.291 1.863 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1540179888 CTEVRYNYZSMTGJ-AUSIDOKSSA-N 424.549 1.531 30 10 HDEE COC(=O)c1ncoc1COCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1540472397 MHPYRXINLUNDJU-MRXNPFEDSA-N 416.409 1.526 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1540866625 UWGBNUQBUZRROE-ZDUSSCGKSA-N 417.901 1.388 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)CC[C@@H]2C1 1540920570 ZCIAPINPSWSDDA-QGZVFWFLSA-N 415.567 1.870 30 10 HDEE N#C[C@@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)c1cccc(Br)c1 1545824186 OGKQRYOWYURBPO-GFCCVEGCSA-N 418.255 1.048 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O 1545893465 AMAGIPXFFUAHLQ-IBGZPJMESA-N 424.571 1.761 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554234398 UPVKZQGLJFTOEY-HMWBCQRISA-N 400.483 1.545 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCCCCC1 1555753903 XXFSIRIPSMUFBW-BZSNNMDCSA-N 419.526 1.816 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CS(C)(=O)=O)CC3)n[nH]2)c1C 1556743690 QUJNJLQDRAHADJ-UHFFFAOYSA-N 405.524 1.973 30 10 HDEE CS(=O)(=O)c1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc([N+](=O)[O-])c1 1557719150 QLZVXUYLRMIQDB-UHFFFAOYSA-N 400.416 1.806 30 10 HDEE Cn1c(N2CCCC[C@@H]2c2ncc(Br)cn2)c(C#N)c(=O)n(C)c1=O 1559283161 AQHLGNDUZHARLH-GFCCVEGCSA-N 405.256 1.240 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC2(CC(=O)NC)CCCCC2)c1 1561776392 VYTUFSKAMRNRIK-UHFFFAOYSA-N 407.536 1.967 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1561798544 MJGGIKQGOXAORP-SECBINFHSA-N 402.270 1.738 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1565156030 ACPMZGQKMLYYOA-ROUUACIJSA-N 408.543 1.751 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)c1C#N 1565419115 NVOUBIOYDLOWFQ-AGUYFDCRSA-N 409.537 1.263 30 10 HDEE N#CCN(C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccccn1 1585099876 PMGZNMRRBQNTCL-UHFFFAOYSA-N 420.878 1.926 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](COC)C1 1587755291 XOYOXUSWCLZASZ-OAHLLOKOSA-N 401.467 1.661 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588030561 XKWMEACJYMFNDA-ULQDDVLXSA-N 424.567 1.254 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1588075104 XSDGAUNYMMBIAD-SFHVURJKSA-N 402.520 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCc1ccco1 1588245965 XFWWBTOAZGLMSU-UHFFFAOYSA-N 419.489 1.512 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[S@](=O)C(C)(C)C)CC1 1588806502 SZZCVOJYLMHACJ-NDEPHWFRSA-N 401.540 1.038 30 10 HDEE C=CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(S(=O)(=O)NC)c1)C1CC1 1595054076 AGEXOJOAJPRKLL-MRXNPFEDSA-N 417.535 1.893 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1596849187 FRBJAJZFKOXDAM-DBDZUICISA-N 420.564 1.777 30 10 HDEE CN(C)C(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2C)cc1 1596924515 CJTVCRCXTJSDMB-BXNMVYGRSA-N 406.508 1.863 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O 1597331936 DZMWXUONODVXQD-UHFFFAOYSA-N 406.398 1.407 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(C)n(-c4cnccn4)c3C)CC2)c1C#N 1616430401 HYLOBXMBOURNEO-UHFFFAOYSA-N 404.478 1.760 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 1619452450 WYKHAJIKHRIEAK-SUMDDJOVSA-N 401.463 1.652 30 10 HDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1619504267 UXZLISSYPKQZCS-PGRDOPGGSA-N 424.505 1.822 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1622689384 QJGGZMWSRKFLHR-UHFFFAOYSA-N 400.522 1.132 30 10 HDEE C#CC1(F)CN(C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)C1 1622810574 PRWKNNUJXRDIDU-UHFFFAOYSA-N 422.464 1.557 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1625386615 DENVQEFRSCCDBL-IRXDYDNUSA-N 404.463 1.514 30 10 HDEE CN(C)C(=O)[C@@H]1CSCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1626241497 SGOOPWUINODPOF-HNNXBMFYSA-N 423.336 1.747 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]([C@H]1CCCO1)C1(CO)CCC1 1627650430 DIHXRHKBOBGYJV-QUCCMNQESA-N 411.506 1.977 30 10 HDEE C#CCN(C)CCCNC(=O)[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1628820221 NAMNKNFBPVBDNB-UYAOXDASSA-N 421.563 1.005 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1628859626 DISYSXRRVCBGDP-IBGZPJMESA-N 413.522 1.190 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1628900584 IAFWKMNNNQWVCL-ROUUACIJSA-N 420.485 1.810 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1629349302 CURVXEOWQHSULX-QGZVFWFLSA-N 407.511 1.391 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1 1629727690 UMUAZFURJCAJPG-FUHWJXTLSA-N 401.488 1.867 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1629787850 ZPQNGNNVJYFVIB-MRXNPFEDSA-N 417.466 1.945 30 10 HDEE CC(C)(C)OC(=O)N(CCCNC(=O)CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1630843291 JYCHZBROSNCLAW-ZCXUNETKSA-N 406.483 1.809 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2Cc3ccc(C#N)cc3C2)C1 1631129744 JDWXIXIJHIKGOF-KRWDZBQOSA-N 413.503 1.841 30 10 HDEE C[C@H](CC(=O)N[C@H](c1ccccc1F)[C@@H](C)O)/N=C1/NS(=O)(=O)c2ccccc21 1631989485 MVNHWLZHCQLPAD-VPZZIHKRSA-N 419.478 1.881 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](CO)c2ccc(OC)cc2)s1 1632895159 RYNPCFPPOLGYAA-KRWDZBQOSA-N 424.544 1.956 30 10 HDEE CN(C)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1633449578 BHLLRGBZHXBNOC-CQSZACIVSA-N 409.368 1.258 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3C[C@@H]3c3ccccc3OC(F)F)C2)c(=O)nc1O 1634809333 QNVKBBPUAFFYIW-KGLIPLIRSA-N 417.372 1.544 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]c3cc(OC)cc(OC)c3c2=O)n1 1635721698 PDFRRSZCLHHEKT-UHFFFAOYSA-N 424.457 1.664 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cccc(CNc2ncccc2C#N)c1 1638803806 MZFKLZDQWKWAFT-MRXNPFEDSA-N 406.490 1.757 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1639031980 FIMXVKPJAAIHMS-XFBWCDHKSA-N 423.466 1.861 30 10 HDEE Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c(C)c1 1639130537 SWGAYEBTBXEXRS-IBGZPJMESA-N 400.523 1.490 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H](Cn2cncn2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1639509781 GXEXYBKMVPYLLH-LIRRHRJNSA-N 407.471 1.282 30 10 HDEE CCOC(=O)C1=CC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1641431300 PODSHISFCNIYGO-JSGCOSHPSA-N 405.476 1.272 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)C(=O)OC 1642410943 QXDBESFKQNPOOJ-MRXNPFEDSA-N 412.895 1.809 30 10 HDEE C#CC(C)(C)N(C)CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1642708389 PGONBHRDPHXYRU-UHFFFAOYSA-N 405.520 1.066 30 10 HDEE CN1CCn2nc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)cc2S1(=O)=O 1647924981 SIQZOPVXTBIXMR-UHFFFAOYSA-N 414.491 1.106 30 10 HDEE C=CCNc1ncc(C(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)s1 1648614939 ISZYWQUDEONHQJ-UHFFFAOYSA-N 404.448 1.905 30 10 HDEE N#Cc1ccccc1N1CCN(CCOCCN2C(=O)c3ccccc3C2=O)CC1 1652416569 LZNCMHRZTQGZJA-UHFFFAOYSA-N 404.470 1.993 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(c3ncccn3)CCOCC2)cc1 1652442433 MSBDAVDNGNLERO-UHFFFAOYSA-N 402.476 1.377 30 10 HDEE C[C@]1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1654307320 LGNZJWFBUGJFRA-GOSISDBHSA-N 410.927 1.408 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(O)CCCCc1ccccc1 1654817606 PYIALLBLSHMSIM-UHFFFAOYSA-N 421.519 1.900 30 10 HDEE N#C[C@@]12CN(CC(=O)Nc3ccccc3C(=O)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1654886308 YQPCSKOZWJBIOF-JTSKRJEESA-N 423.494 1.726 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1ccccc1SC[C@H](C)C#N 1659903918 ONRIPFRXTJIVOR-CABCVRRESA-N 405.524 1.507 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F)c1 1661489444 FFDLBDXWNYFCKA-AWEZNQCLSA-N 420.409 1.752 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)c2ccco2)c1)[C@@H]1CCS(=O)(=O)C1 1676285669 MUQVGHDRYHXZKH-QGZVFWFLSA-N 415.471 1.864 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@@H]2CCC3(CC(C(=O)OC(C)(C)C)C3)O2)nn1 1683482784 ALSMBWXQFPSTGH-FXUPRZHBSA-N 405.499 1.933 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)C1 1687593630 VMELUHXXGAPNDO-RDJZCZTQSA-N 424.423 1.865 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1689954079 KOKBSURBANKZGX-GOSISDBHSA-N 408.466 1.186 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1689982930 XGYUKLJMDDKCFP-MRXNPFEDSA-N 402.476 1.033 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(O)CCOC1 1690043867 QSEPOGWSFONGEK-JOCHJYFZSA-N 418.457 1.208 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1690077186 KNDQXYOCROYSNG-SFTDATJTSA-N 409.534 1.856 30 10 HDEE C=CCCCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1690481457 GGQRRRCEAFQQKA-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1690554036 QRDZYPFDHGJFEV-ZOBUZTSGSA-N 410.540 1.592 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2cc(C)ccc21 1690670701 HHZRNLXNGQORGE-MRXNPFEDSA-N 415.519 1.485 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1690675061 OPZSMBYAFKAFJF-QZTJIDSGSA-N 408.506 1.080 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1692659802 AHEDRYVYQBINPB-KUHUBIRLSA-N 417.539 1.075 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1705538758 ZLQDPTWVZCILOZ-SFHVURJKSA-N 411.510 1.608 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cc(C)on1 1705580039 BWOBZQDZZUCQOP-UHFFFAOYSA-N 423.502 1.656 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC(F)(F)C1 1705628315 CSVWIXDPWQFHHU-AWEZNQCLSA-N 402.467 1.312 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)CN2CCOCC2)CC1 1705639403 NJEVYMXHHPIOFZ-UXHICEINSA-N 416.570 1.243 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccnc1 1706877526 BNFAXODVDVHANI-HNAYVOBHSA-N 417.539 1.656 30 10 HDEE Cc1nnsc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1707031980 BETNVHIHGCQCOT-ROUUACIJSA-N 421.502 1.969 30 10 HDEE Cc1ccccc1-c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOCCCO 1707650356 NZASLXVXHLCKLI-IBGZPJMESA-N 410.522 1.829 30 10 HDEE COc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1OC 1711930023 FJBQPKKJPHDHLW-LSDHHAIUSA-N 412.450 1.023 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCCS2(=O)=O)CCO1 1712884175 HZCVBGLNIHQFIY-CABCVRRESA-N 402.480 1.036 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC1(O)CCC1 1722347062 YMYDJOGGLKPEBA-UHFFFAOYSA-N 417.535 1.570 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1722381948 CDQSXVOIGUPMLB-GOSISDBHSA-N 407.474 1.157 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C)n(C)c1=O 1722400844 BDCBYJVDXMNJEB-UHFFFAOYSA-N 417.517 1.658 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCc1ccc2c(c1)OCCO2 1722427946 AAQQJCIOVBWUFU-GOSISDBHSA-N 412.490 1.882 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C2CCCCC2)CC1 1722686474 ALJCGXGOAYXTEH-UHFFFAOYSA-N 424.553 1.834 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1727648869 FAEKOYZGSUFLHQ-LJQANCHMSA-N 418.505 1.898 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1729179592 MVFMCQDKGMJBKF-SFHVURJKSA-N 412.494 1.537 30 10 HDEE COC[C@@H](F)Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730486112 GQWWNVSMEDBCBQ-INIZCTEOSA-N 416.505 1.770 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1730705222 LTIVRLRKYIVBKO-SJLPKXTDSA-N 410.478 1.480 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740592927 MVUGBJZINWEPRM-GOSISDBHSA-N 408.506 1.847 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1nncn1C 1740614804 GAFSZFHYYLSJRP-AWEZNQCLSA-N 400.487 1.596 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1NC(=O)CC1(C)C 1740643372 HJECBMBQVDUWPE-GOSISDBHSA-N 409.465 1.984 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCc2ccn(C)n2)CC1 1740700291 NBZUQGCYTKEQJM-UHFFFAOYSA-N 423.496 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740764149 AQUGYEAVSQPUBG-HZMVEIRTSA-N 412.556 1.980 30 10 HDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1740888175 QEEOVZIHCMPDHN-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1740954494 ANMRSXNEBRDVFU-MAUKXSAKSA-N 410.478 1.359 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(Cc2ccccc2)CC1 1740959611 AXOOIVBKKIZMSH-HXUWFJFHSA-N 424.549 1.797 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740962881 RECMUNLAKCIACQ-CVEARBPZSA-N 414.535 1.195 30 10 HDEE CCCNC(=O)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1745777278 FMRYBERSSIVXIZ-UHFFFAOYSA-N 410.526 1.911 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@](C)(C#N)C1 1747411362 OMJZUCGNQBPHIQ-QAPCUYQASA-N 413.544 1.567 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCO[C@H](C#N)C2)C1 1748049929 FZTYOBALXBBUOS-AUUYWEPGSA-N 420.876 1.533 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748666399 ABMUKFHSPSXKTC-MAUKXSAKSA-N 424.505 1.202 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1748802595 GEZZDMKSXVUNRJ-GASCZTMLSA-N 404.515 1.644 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1748812585 XFXUODZEYZUJQS-IXDOHACOSA-N 417.535 1.573 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@](C)(O)CCOC)CC1 1748993271 SUWUUUUHHNUJOT-HSZRJFAPSA-N 411.550 1.720 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@](C)(O)CC)CC1 1748999406 UGXLMNLUTGWGHJ-QFIPXVFZSA-N 413.522 1.782 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1749118919 LFWNOVZMTFSLCZ-OIISXLGYSA-N 422.555 1.609 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749368637 OWPGTJZKVIKUFI-HRCADAONSA-N 412.556 1.633 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1 1749391876 UQJGCIJDHGTRTK-CVEARBPZSA-N 424.571 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749732463 WXDHIRMBIISVMF-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE CC(=O)Nc1cccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)c1 1749907494 GDKQSILEANHPTH-GOSISDBHSA-N 406.450 1.414 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCCC1 1750027347 KCUBEOQTARBBME-SJLPKXTDSA-N 418.542 1.484 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccc(C#N)o1 1750103109 ZVDMRMGFBGKADN-HEHGZKQESA-N 407.496 1.900 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCSC1 1750646427 WOVBITDQETWKNC-HXUWFJFHSA-N 413.551 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CC[C@H](CO)O1 1760104988 KLRQWQMLSAJSGW-HYVNUMGLSA-N 400.479 1.960 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760120151 ISASKRXTOVIYDP-FUHWJXTLSA-N 416.547 1.965 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCNC(=O)c2ccco2)c1 1760127681 IJVRSEZAASRZAO-UHFFFAOYSA-N 420.473 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(C)c1C 1760209186 YEIRVBFZZMRLDB-UHFFFAOYSA-N 402.462 1.479 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cnn(CCOC)c1 1760297302 NWZCYLWUPWRHBV-OAQYLSRUSA-N 411.510 1.284 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)OC)CC1 1760402096 GWTSHUAJPCCPIZ-ZBFHGGJFSA-N 413.544 1.048 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)C(=O)NCC2 1760496922 LBFBLIWBGCXSEI-UHFFFAOYSA-N 420.517 1.913 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1760506366 LASWNMZICZCGAE-CHWSQXEVSA-N 405.421 1.693 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(C(=O)NCCC)CC1 1760519549 IEGDZGAQTUNAFI-UHFFFAOYSA-N 410.522 1.990 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1760525452 GVBIGMIWCHCKKN-DZGCQCFKSA-N 424.427 1.722 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC(C)(C)C1 1760548061 XSOOXXUMOFFUIF-INIZCTEOSA-N 423.583 1.987 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760565466 XSRNJSOPTXJABZ-UHFFFAOYSA-N 404.584 1.865 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1764677366 DWLORLILXRWXQV-LJQANCHMSA-N 411.445 1.530 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C#N)o1 1767020620 PEKKOGFMUQEDQW-UHFFFAOYSA-N 413.482 1.264 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(F)cn2)CCOC1 1767481786 DRRJAYRVGMIROH-QFBILLFUSA-N 402.430 1.241 30 10 HDEE COCC(C)(C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1769190519 CSUIMOCJSFTSGD-JXFKEZNVSA-N 407.515 1.720 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)CC1 1770743855 BXUAYUNNYBYJRY-IAGOWNOFSA-N 402.499 1.555 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)CC1 1770755255 TVGHTIFVCRPNJW-QGZVFWFLSA-N 400.487 1.434 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCCS1(=O)=O 1771166751 RZBPOFAUZATCOS-BZUAXINKSA-N 413.544 1.708 30 10 HDEE CCN1C(=O)c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2S1(=O)=O 1772788418 SKWIUAKAJJLAJO-UHFFFAOYSA-N 400.368 1.219 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)CCn2nnc3ccccc3c2=O)CC1 1850191410 AXSNFMFTSDBEHR-UHFFFAOYSA-N 417.473 1.481 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 1851225051 FQDBCPLCANBHBU-PKOBYXMFSA-N 410.474 1.709 30 10 HDEE CN1C(=O)CC[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@H]1c1ccccc1 1851339843 FUNRBQIPFAEYDP-AZUAARDMSA-N 404.474 1.607 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccnc3[nH]cnc23)cc1 1852881506 ZDDNTKZHYQTFIA-QGZVFWFLSA-N 407.430 1.766 30 10 HDEE N#CCC(=O)N(CCS(=O)(=O)N1CCCCC1)Cc1ccc(-n2ccnc2)cc1 1853402138 QAWQAWLTQGKMGL-UHFFFAOYSA-N 415.519 1.930 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O)[C@@H]1CCOC1 1854515711 CQIKMBCYTYSESL-GDBMZVCRSA-N 419.503 1.369 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3C(C)(C)CC(=O)CC3(C)C)CC2=O)CC1=O 1856062864 WBDSELIWJZHCNQ-HZPDHXFCSA-N 403.523 1.618 30 10 HDEE C[C@@H](C(=O)O[C@H]1CON(S(=O)(=O)CC#N)C1)c1ccc(Br)cc1 1856254707 FKKIPGQWUBQFCL-ZWNOBZJWSA-N 403.254 1.565 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCN(c4ccnnc4)CC3)CC2=O)cc1 1856327847 JUHXZVBLKZMOPK-IBGZPJMESA-N 404.474 1.088 30 10 HDEE N#CCCN1CCN(C(=O)c2cc(OCC(F)(F)F)ncn2)C(=O)C12CCCC2 1856627277 FATYCSWJGCYXEP-UHFFFAOYSA-N 411.384 1.929 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)c(C)c1 1856652933 IZEVAZUNYKJDGV-KRWDZBQOSA-N 405.476 1.830 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nccc(Cl)c2F)C1=O 1856729029 VNXHXFVURCHYAT-KGLIPLIRSA-N 408.861 1.724 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)CSc2ccncc2)C1=O 1856749301 ZDVOHPPVZKHABG-IRXDYDNUSA-N 402.520 1.410 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(Cl)ccn2)C1)[C@@H]1CCN(C)C1=O 1857069069 UUTHUIYLHJAESK-WMLDXEAASA-N 404.898 1.833 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C3CC3)n(C)n2)C1)[C@@H]1CCN(C)C1=O 1857075011 VXXONLCOSUWDFZ-CRAIPNDOSA-N 413.522 1.395 30 10 HDEE COc1cc(C(=O)N2CC[C@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)ncn1 1857291212 WJYWTVCMLFGHMS-SFHVURJKSA-N 405.458 1.784 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CC=CCC2)C1)C1CN(c2nccnc2C#N)C1 1857417713 FJXWLVQEMHFFOR-DLBZAZTESA-N 408.506 1.590 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CC[C@@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858325346 FVPVZRRPVZWIKA-GOSISDBHSA-N 419.528 1.749 30 10 HDEE C=CCNC(=O)C(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861611872 LQUPOLBNKGZYGC-OAHLLOKOSA-N 401.463 1.413 30 10 HDEE O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccc(O)c(O)c1)c1cccc([N+](=O)[O-])c1 1862740496 FEOQXKMBVQIRDQ-KRWDZBQOSA-N 414.370 1.967 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cc(C)ccc2C)[nH]1 1871669526 IRIHEPHUQGCBKB-UHFFFAOYSA-N 411.510 1.952 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)C2CN(S(=O)(=O)C3CC3)C2)c1 1890825666 CXXQSOWGVHGNCL-UHFFFAOYSA-N 419.547 1.455 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)s1 2054405949 QHSNBVDNXZADBJ-HOTGVXAUSA-N 421.500 1.982 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@@H](C)N1C(=O)OCc1ccccc1 2054406802 YWTNJFQCHFVKQI-SOLBZPMBSA-N 406.508 1.808 30 10 HDEE CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)c1ccc(C#N)s1 2118170419 MRCWSDRILJELMA-INIZCTEOSA-N 401.510 1.924 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)OCC1(C)C 2174787059 PXOXPUSMTPPZIO-UONOGXRCSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)CC1 2174788324 DHWISPPUCVJPMV-BZUAXINKSA-N 400.545 1.997 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)CC2(C#N)CCCC2)CC[C@H]1CO 2178918128 CSHVPAQRRHQLLC-LSDHHAIUSA-N 401.529 1.608 30 10 HDEE C#CCN(C(=O)C1=C(F)CN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 2180104898 VJWPTHRHZCWNEA-ZDUSSCGKSA-N 400.472 1.500 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(F)CCC[C@@]2(NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2182450137 JNLAQSDDGLTALJ-KBRIMQKVSA-N 402.492 1.548 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@H](NC(=O)OC(C)(C)C)C(=O)O 2195284787 VKDBWKRBHFSDQC-ASHKIFAZSA-N 402.513 1.692 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](C(=O)N2CC(F)(F)C[C@@H]2CC#N)C1 2234013401 CTYVIKBEUQTKJH-RYUDHWBXSA-N 407.439 1.170 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN([C@@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2234453413 PNNJOQHDEKCOJY-BZUAXINKSA-N 400.545 1.682 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243373148 UICGUWYUYQMSEE-UHFFFAOYSA-N 419.234 1.193 30 10 HDEE CO[C@H]1C[C@H](CNC(=O)OC(C)(C)C)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243393982 BLXQNVUMZGPSLZ-CABCVRRESA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)NCC=CCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247857109 QSKRLHZJTXJEDP-UHFFFAOYSA-N 418.303 1.587 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247943397 FQSOEAUBXUIWTO-ZFWWWQNUSA-N 419.331 1.967 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)co2)OC1(C)C 2248555465 KQIKYOGDGRXVIY-INIZCTEOSA-N 415.251 1.979 30 10 HDEE CC1(C)OB(c2occc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249484693 RITRCZWGWPLGOY-UHFFFAOYSA-N 416.205 1.862 30 10 HDEE C=C[C@H](C1CC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258173528 ZZZXGPZXDWYPNO-DLBZAZTESA-N 410.492 1.681 30 10 HDEE C=CC[C@@]1(CO)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2259501865 WNEQWSRYKUSOBX-HXUWFJFHSA-N 406.504 1.653 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(F)CC(N)C3)cc2Cl)OC1(C)C 2282304417 KHKCVMUOYQDLLQ-UHFFFAOYSA-N 424.756 1.808 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCn3cccn3)cc2Cl)OC1(C)C 2282305211 VPCLDCRMOSWWAN-UHFFFAOYSA-N 417.749 1.876 30 10 HDEE CN([C@@H]1COC[C@H]1O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282317535 SMEYBKADIXEWFJ-GHMZBOCLSA-N 423.749 1.081 30 10 HDEE Cc1cc(S(=O)(=O)NC(C)(C)CN(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282325181 ASUBISKZDKUKJR-UHFFFAOYSA-N 402.391 1.974 30 10 HDEE C[C@H]1CNCC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282337248 FUKCGYHRWIMYBL-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE CC(C)[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282351865 HAKBNDXBGHIEPK-UONOGXRCSA-N 401.359 1.997 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC([C@H](C)O)C2)c1B1OC(C)(C)C(C)(C)O1 2282497019 KRVMIXMVYJNYKP-JTQLQIEISA-N 401.359 1.665 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@H]2CN)OC1(C)C 2282499914 TZMXGHRJIMAEKD-LBPRGKRZSA-N 401.363 1.085 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCO1 2282500759 NGYSZSQCMKIIID-WCQYABFASA-N 402.347 1.429 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=c3nc(CCN)[nH]s3)sc2Cl)OC1(C)C 2282618303 QAEUJGBTFOHHKZ-UHFFFAOYSA-N 414.749 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C[C@@H](C)O)C1CC1 2282826738 SZZRZIWAUGJWMI-LLVKDONJSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=[S@]2(=O)CC[C@H](CN)C2)OC1(C)C 2282869766 IBMRLYWGUHVAKX-NDHGSNPTSA-N 420.387 1.183 30 10 HDEE C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877174 NWFSVLMQPHBKQS-OCCSQVGLSA-N 400.375 1.760 30 10 HDEE CS[C@@H](C)[C@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369358 WTMFJRGODLOGBI-ONGXEEELSA-N 400.331 1.685 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284408046 RTWWQFJPEPEMSR-RYUDHWBXSA-N 401.315 1.435 30 10 HDEE CC[C@H](C)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(N)=O 2296342012 SNVUFTKRSHOBDN-GXFFZTMASA-N 402.347 1.226 30 10 HDEE COCCn1nc(Br)nc1N1CCN(Cc2ccccc2)[C@H](C#N)C1 2328419536 IYNXMYQLSFLIMV-OAHLLOKOSA-N 405.300 1.901 30 10 HDEE CCc1csc(C#CC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338646915 COJPRCPMUJFXBQ-CYBMUJFWSA-N 400.522 1.954 30 10 HDEE CCS(=O)(=O)N(C)CCNc1ncc(Cl)cc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c1nccs1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367785119 CPAXIRZQWIMJAO-KBPBESRZSA-N 413.565 1.877 30 10 HDEE CN(C[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O)C(=O)OC(C)(C)C 2367791545 YBNWCNAXUFWKEB-CQSZACIVSA-N 403.497 1.684 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2367801366 RETXDJHBIQVVKQ-OWCLPIDISA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H]1CCCO1)C[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805198 ZGQRXUDOLZCRIZ-CVEARBPZSA-N 400.541 1.701 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)O)C[C@H](P(C)(C)=O)C1 2370207902 QEBZRNZQOISHSJ-IHRRRGAJSA-N 400.412 1.827 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 24242728 OOPFAYVLPBBIQB-CQSZACIVSA-N 402.322 1.653 30 10 HDEE C=C(C)COc1ccccc1NC(=O)CN1CCNC(=O)[C@H]1CC(=O)OCCC 66224999 HDWFQIXWMFOKFO-QGZVFWFLSA-N 403.479 1.724 30 10 HDEE O=C(NCC#Cc1ccc(N2CCCCC2=O)cc1)c1cccc(-n2cnnn2)c1 96349152 LBALAFFGTFWSTP-UHFFFAOYSA-N 400.442 1.961 30 10 HDEE C#CCN(CC(=O)Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 111048018 FBVIMVJWPMXTLI-GOSISDBHSA-N 412.515 1.811 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCc2ccccc2)CC1 409548038 HNMVVZQGPMMWBR-UHFFFAOYSA-N 408.524 1.122 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(Cc3cccc(F)c3)CCOCC2)CC1 432052784 BLWGMBRLIPGFMY-UHFFFAOYSA-N 403.498 1.611 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 437986476 MRMXSKFAZHMREF-APWZRJJASA-N 422.551 1.408 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462069013 ACGJCNUDJFFRBN-UHFFFAOYSA-N 417.495 1.417 30 10 HDEE CCc1c(C(=O)N[C@@]2(C#N)CCc3ccccc3C2)cnc2c1c(=O)n(C)c(=O)n2C 472267574 AJKWFABKXOOVJT-QHCPKHFHSA-N 417.469 1.376 30 10 HDEE C=CCN(CC(=O)NC1CCN(C2CC2)CC1)S(=O)(=O)c1ccc(OC)cc1 475889542 SRMSLDONUNSLMW-UHFFFAOYSA-N 407.536 1.615 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@H]3CCCN(CC#N)C3)CC(=O)N2C(C)(C)C)cn1 480119759 SLZXYMORGNEJHO-VDZJLULYSA-N 400.527 1.460 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2)c(=O)n1Cc1cccs1 480214852 HIOXSZZMDASOQX-UHFFFAOYSA-N 407.520 1.801 30 10 HDEE CC[C@H](C)c1ncc(NC(=O)C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cn1 484382546 GZQRTQITJIKZTD-ZDUSSCGKSA-N 410.482 1.191 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)o1 502411036 SHNAEJBHDXTJAE-ZDUSSCGKSA-N 420.472 1.213 30 10 HDEE COCc1ccc(OC)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 509947730 WWTDDAZFUWYRGG-UHFFFAOYSA-N 402.476 1.619 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1C[C@@H]1CCCO1 512720308 KFSDDFWWFFHMTO-ZBFHGGJFSA-N 414.531 1.423 30 10 HDEE CCc1c(C(=O)N[C@](C)(C#N)CCc2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 513778248 KIVIJURQCCKXIX-QHCPKHFHSA-N 419.485 1.839 30 10 HDEE C=CCn1c(O)nnc1S(=O)(=O)Cc1coc(-c2ccc(C(=O)OC)cc2)n1 516306264 GMHZAUCCDYDZQX-UHFFFAOYSA-N 404.404 1.585 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CS(=O)(=O)C2CCCC2)cc1 522209140 MUVLIGQRUUSOPZ-MRXNPFEDSA-N 407.517 1.756 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 522898815 LPCRVGQNZRSVHW-HNNXBMFYSA-N 400.420 1.593 30 10 HDEE CN1CCN(c2ncccc2CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 544836045 SRBPJESNHXSULN-UHFFFAOYSA-N 420.521 1.132 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc1 546610557 ZMJAXUIEUFWHCX-ZDUSSCGKSA-N 401.510 1.144 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccs2)CC1 549963910 QAROAVTZDYGIOA-UHFFFAOYSA-N 411.535 1.807 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1 555184023 KERZSRIBGMGSBW-SFHVURJKSA-N 417.535 1.838 30 10 HDEE COc1ccccc1Nc1nc2sc(C(=O)NCC(=O)NCC#N)cc2s1 557721926 VXPGOIDKYABCJY-UHFFFAOYSA-N 401.473 2.480 30 10 HDEE COC(=O)CC1(NCc2ccc(Br)cc2C#N)CCS(=O)(=O)CC1 561895234 ZUFBQWHRSBBQEX-UHFFFAOYSA-N 415.309 1.921 30 10 HDEE COC[C@@]1(CNC(=O)N2CCN(c3ncccc3C#N)CC2)OCCc2ccccc21 582214215 YQCCXFNVBJEOHI-HSZRJFAPSA-N 421.501 1.899 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)ccc1C 609256678 CGKCPDVVASDANO-UHFFFAOYSA-N 404.423 1.169 30 10 HDEE N#Cc1ccc(CNC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(F)c1 609904519 ACXVAMBURDYBAS-UHFFFAOYSA-N 424.498 1.470 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 610151260 HAFFSYSDRVUTGG-GOSISDBHSA-N 403.442 1.121 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCOC[C@H]2C(F)(F)F)CC1 611432669 KECJVZUYBRPCLO-IRXDYDNUSA-N 414.403 1.798 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](NS(C)(=O)=O)C1 669809912 IIHJZBLELNHMRE-INIZCTEOSA-N 405.524 1.604 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(c4nnc(S)n4C)CC3)cc2C1=O 731636115 ZFDGJJYNSZNLFL-UHFFFAOYSA-N 411.487 1.906 30 10 HDEE Cc1cc([C@H](C#N)C(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 732495519 XSHQUMXMLGPXDY-FXAWDEMLSA-N 403.442 1.745 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CCN1C1CC1 732647718 KTEZJDNWQDYQOZ-KBPBESRZSA-N 403.464 1.460 30 10 HDEE CC(C)Oc1ccc(NS(=O)(=O)CC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732663827 HKVLNHIKUYWBPO-KRWDZBQOSA-N 406.508 1.414 30 10 HDEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)n1 733888605 ATZYCYSLSHRRTI-AYAKEVCGSA-N 411.462 1.484 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(OCC)c1 743733926 UPEWSIBGLNGTHL-UHFFFAOYSA-N 423.494 1.920 30 10 HDEE COC(=O)c1ccsc1N1CC[C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1=O 746781275 RRLBXMZOZFWSPS-DZGCQCFKSA-N 417.491 1.022 30 10 HDEE C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 750433776 HOPFWKWGFNRJPK-ZIAGYGMSSA-N 415.471 1.557 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 752961831 CKMNICSXAPPOHK-PNBGARPFSA-N 412.490 1.946 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(CC)CC)sc(=Cc2cnn3ccccc23)c1=O 758072538 WEMVGPJKRNCTCZ-UHFFFAOYSA-N 404.495 1.699 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F 761070707 JQNWNRSIIZJFPO-GFCCVEGCSA-N 410.365 1.622 30 10 HDEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(C)s1 772626333 RABDQJHICIHVJT-OAHLLOKOSA-N 411.553 1.025 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772911017 PCGYGOIUOYKIJD-UHFFFAOYSA-N 402.479 1.575 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(O[C@@H](C#N)CC)c1)[C@H]1CCS(=O)(=O)C1 774216870 KIKTZAPWHPRMNB-DLBZAZTESA-N 419.503 1.708 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCC(C)(C)O)cn1 774288349 MNOKJKHPCMMLNH-OAHLLOKOSA-N 424.571 1.063 30 10 HDEE COc1ccc([C@@H](CC(=O)OCc2cc(O)n3ncc(C#N)c3n2)NC(C)=O)cc1 782100272 WSGKCRPKDUVDMP-QGZVFWFLSA-N 409.402 1.626 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(Cl)c1 782109034 AXLPFZAJLRHLOE-MSUUIHNZSA-N 420.853 1.708 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H]1CCCN(C2CCCCC2)C1=O 785871800 HFPJXMCXNYUNIF-ZDBRSUKYSA-N 403.483 1.136 30 10 HDEE N#C[C@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 787062366 ZYDJCIGNWBHYFV-MJGOQNOKSA-N 420.425 1.969 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](O)c1ccc2c(c1)OCO2 787750028 VYWRZFPJHWWHEB-RBZFPXEDSA-N 416.455 1.440 30 10 HDEE COC[C@@H](C)Oc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 787884163 QMCOYKUOAKOGFU-CZUORRHYSA-N 420.897 1.891 30 10 HDEE CC[S@@](=O)CCNC(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 792985960 NBWHXKRICZEPCG-GDLZYMKVSA-N 415.519 1.865 30 10 HDEE COCC[C@H](COC)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 793981433 IGZNTXNCUZURPP-ZBFHGGJFSA-N 411.524 1.308 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)C(F)(F)Oc4ccccc43)CC2)n1 794415113 LYWDVFFIUDKAGS-UHFFFAOYSA-N 413.384 1.620 30 10 HDEE COc1ccc(C2=NO[C@H](CNC(=O)N3CCN(c4cccc(C#N)n4)CC3)C2)cc1 802363031 WEJCEEHCGJCLBU-IBGZPJMESA-N 420.473 1.987 30 10 HDEE C=C(C)CN1CCC(N2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 804161157 BPZYHMQDTCDQOA-HXUWFJFHSA-N 405.520 1.898 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1nccs1)C(F)(F)F 818320935 BQICAMMNEQUHFK-LLVKDONJSA-N 404.395 1.601 30 10 HDEE C#CCN(C(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12)[C@@H]1CCS(=O)(=O)C1 1125953398 FKMAFOZDQRUGGP-GFCCVEGCSA-N 408.430 1.807 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(c4ccccc4)CCC(=O)NC3)CC2)c1C#N 1128030014 GUOGTWBSZDAHFS-QFIPXVFZSA-N 406.490 1.097 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](CC#N)C(F)(F)F 1134050940 QSSWBDKGGQPIPK-AWEZNQCLSA-N 421.397 1.290 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)s1 1138880643 LKPCHSLUNVBZEX-SUMWQHHRSA-N 400.522 1.161 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3CCN(C(=O)c4ccccc4)C3)C2=O)cc1 1139810939 AKBFSHXSCPLWMT-RTWAWAEBSA-N 416.481 1.938 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CCCC(C)(C)[C@H]2C#N)C1 1140097953 YYDWYMLYOLLUIF-LSDHHAIUSA-N 413.540 1.951 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCN1S(C)(=O)=O 1147371189 VJLIAUWIGWEEBB-TZMCWYRMSA-N 424.910 1.057 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CCC4)C3)CC2)cc1 1148308246 SDJCCSDVRGCQEN-GOSISDBHSA-N 402.520 1.266 30 10 HDEE Cn1c(NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)c(C#N)c(=O)n(C)c1=O 1163779838 NFMGYXRWPKQFIN-UHFFFAOYSA-N 419.441 1.099 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 1165497244 CHJOSHUXKQDDQT-UWJYYQICSA-N 403.479 1.812 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3cc(F)ccc3S2(=O)=O)c1 1166162425 HFLZXZHWTJWUGE-UHFFFAOYSA-N 401.375 1.300 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCCN(C3CCN(CC)CC3)CC2)c1 1171277433 OACAGVVPYJOVSD-UHFFFAOYSA-N 411.550 1.808 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCNC2(C(=O)N3CCOCC3)CCCCC2)cc1 1176901773 CWXCWDXSYBCWIP-UHFFFAOYSA-N 405.520 1.483 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1181747601 NOONGWWTXLPDTF-OAHLLOKOSA-N 414.911 1.519 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1194424277 HLMWGNBNKXZIKP-KRWDZBQOSA-N 421.523 1.126 30 10 HDEE N#Cc1ccc(C2CCN(CC(=O)Nc3cc(-n4cnnn4)ccc3F)CC2)nc1 1196419147 LESDAAVYYNWZHF-UHFFFAOYSA-N 406.425 1.886 30 10 HDEE C#CCN(C[C@](O)(C(N)=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1197767212 ADDJAAJMJUEJIU-JOCHJYFZSA-N 401.507 1.694 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)c(O)nc1=O 1198219148 LZLQICJPLWNCBN-QGZVFWFLSA-N 411.462 1.315 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCC2(CC1)C[C@@H](O)CNC2=O 1198354421 FKOWHHIBFXUASE-HZPDHXFCSA-N 416.547 1.840 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CCC2)CC1 1227059358 RZBHBEAFFKGVQX-GOSISDBHSA-N 424.954 1.976 30 10 HDEE C#CCN(C(=O)NCCN(C)S(=O)(=O)c1ccc(F)cc1)C1CCN(C)CC1 1227271561 BJNQMZHCXZHQOA-UHFFFAOYSA-N 410.515 1.185 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)NC2CC2)CC1)c1ccc(Br)cc1 1230499095 QLRGNEZCFSTMAA-QGZVFWFLSA-N 419.323 1.729 30 10 HDEE C#CCN(C(=O)NC[C@@H](Cc1ccc(OC)c(F)c1)C(=O)NC)C1CCN(C)CC1 1252289938 UVVWOANQPHGZJL-QGZVFWFLSA-N 418.513 1.478 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1252508255 RDKGAQGCFYGUMT-MRXNPFEDSA-N 404.536 1.741 30 10 HDEE C=CC[C@]1(C(=O)Nc2ccc(=O)n(CC(N)=O)c2)CCCN1C(=O)OC(C)(C)C 1278454958 KFXYOWQKIKZHDO-HXUWFJFHSA-N 404.467 1.618 30 10 HDEE C=CCOCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 1282754439 BDGNNPNYLJLUMD-BBPUYGCGSA-N 400.475 1.594 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@H]1CCC(=O)N1 1286381136 OBOIQJMEQQBBMJ-CABCVRRESA-N 402.499 1.698 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN1CCCC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286389739 PQELIAAKAVQLLT-SFHVURJKSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCO[C@H]1C 1286423058 QIOPTHYKIHZHAU-BWAGFHJFSA-N 416.522 1.322 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CCCSC)CC1 1286480229 SPQXQXRJGNTFEM-UHFFFAOYSA-N 402.524 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC2(OC)CCC2)CC1 1286493447 BAIMYGHOGPIGAM-UHFFFAOYSA-N 403.527 1.740 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286497110 MXKWBJSLBFIJEH-KXBFYZLASA-N 407.540 1.227 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286693512 RQNKBOXTMZLWFI-CVEARBPZSA-N 411.572 1.986 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1286731205 DAAURDIQSNSIHX-ROUUACIJSA-N 407.559 1.860 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1286819425 JYWDTBIDHQNOPJ-UHFFFAOYSA-N 424.571 1.386 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)c1ccccc1F 1290816836 REWKTMFITIDWQH-UHFFFAOYSA-N 421.436 1.691 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1291302826 HCHTXNVIEQOJEB-OAHLLOKOSA-N 408.466 1.216 30 10 HDEE C[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1CCN(C)CC1 1292969009 ZPMUAIRPRFNMOU-KYMGHPBBSA-N 419.570 1.525 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c(Br)nc2n1CCCC2 1293032476 MHBNKRJXHJQPEQ-NTCAYCPXSA-N 408.256 1.238 30 10 HDEE CC1=NS(=O)(=O)N(C)C=C1C(=O)N[C@H](C#N)c1ccc(OC(F)(F)F)cc1 1294249984 QSPNISZKJBEALM-CYBMUJFWSA-N 402.354 1.801 30 10 HDEE CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1295102124 XIPGHGIDCXNWGZ-BMRADRMJSA-N 401.858 1.976 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1295556398 DTAVYDJKNRRTSS-NLWGTHIKSA-N 422.547 1.737 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(C)(C)N2CCC[C@H](C)C2)CC1 1300695850 MQBBUWQUSYBNKA-IBGZPJMESA-N 424.597 1.944 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300767319 UWIBZDVAKVCEMZ-MRXNPFEDSA-N 405.549 1.254 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300869586 MUDYPHPLVFSUOE-MOPGFXCFSA-N 403.527 1.643 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1300971580 CUUNNOUIFQIAQT-KGLIPLIRSA-N 403.574 1.423 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1301001339 HKXASMFAGQVWSD-OAQYLSRUSA-N 422.526 1.912 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1301052694 DBQIPAUOKWBXHC-HUUCEWRRSA-N 405.430 1.676 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2cnccn2)CC1 1301222655 BWHAUBQWBNCSKY-MRXNPFEDSA-N 417.539 1.263 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1301289395 DTDRCPSJFXOZGD-GDLZYMKVSA-N 412.519 1.725 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)Cc1ncnn1CC(F)F 1301490988 BNCCRTKPKQPLFW-UHFFFAOYSA-N 416.436 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCOCC2(CCC2)C1 1301588646 IHBMXUIUXKHLKA-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1303026145 KKHGEJZZQQXNDM-IBGZPJMESA-N 421.856 1.623 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CS[C@@H](CC(=O)OCC)C(=O)OCC)c1 1307339962 TXQPACXOWXEFQE-HNNXBMFYSA-N 406.460 1.934 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1312994845 NWNORXJUPXEKJT-KRWDZBQOSA-N 404.534 1.801 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)cc1 1313387495 DWGSJKIFLJFQMX-INIZCTEOSA-N 408.462 1.886 30 10 HDEE CCOCc1nnc(N(C)Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1314308233 CKYZIVQARZURCF-VHEBQXMUSA-N 411.466 1.372 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CC1=O 1316119237 VKJZNFKGAOBHIK-HKUYNNGSSA-N 424.505 1.537 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCc2cccc(F)c2)CCO1 1316540800 OHNSAPAPFOSUCX-SFHVURJKSA-N 412.469 1.901 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cnc2c(cnn2C)c1 1320443528 GQQSMVKAZOQANM-KRWDZBQOSA-N 413.459 1.748 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C3(C#N)CCSCC3)c2)CC1 1348785597 WEVASSHFQNQESQ-UHFFFAOYSA-N 422.576 1.988 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1358942202 MORBGDNXELBOQQ-ZZEZOPTASA-N 401.430 1.413 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CC[C@H](F)C2)CC1 1359044814 PDNBNAYBLPRWKM-NXHRZFHOSA-N 403.502 1.886 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(C)cn1 1359281747 IPBYUDUVLFFZPF-INIZCTEOSA-N 408.528 1.024 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(OC)CCOC2)C1 1359313888 SSKYEHQCNKMOKD-QMMLZNLJSA-N 422.526 1.517 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1359322570 YMPQQIDZCAKAIJ-DLBZAZTESA-N 424.567 1.921 30 10 HDEE CC(C)(C)Cc1nnc(N2CCCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359537839 RGYDRWIWRSVWAA-ISLYRVAYSA-N 402.499 1.620 30 10 HDEE CC(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1359642797 DKNFHFBKIKTWOX-CQSZACIVSA-N 417.539 1.780 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCCOC1 1360677858 HPMHUPDCNYSZTE-GDBMZVCRSA-N 410.544 1.445 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 1360970022 CPEUXDWLKLTLSX-UHFFFAOYSA-N 401.492 1.492 30 10 HDEE Cc1nsc(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1C#N 1436032721 JTMMNLOZJYJECZ-UHFFFAOYSA-N 413.502 1.394 30 10 HDEE CCC(C#N)(CC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1439196106 HQWAOCCYSGZBNX-AWEZNQCLSA-N 401.529 1.857 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)cc2C1=O 1439763977 JAPPBNZETABPLQ-KRWDZBQOSA-N 402.472 1.508 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)Cc1ccc(C#N)cc1 1443154769 DMOAZEPLLZHSBQ-QGZVFWFLSA-N 419.478 1.990 30 10 HDEE Cc1c(C(=O)N2NC(=O)CC23CCN(C(=O)OC(C)(C)C)CC3)cnn1CCC#N 1450398926 OYSIEHHKSGMKPE-UHFFFAOYSA-N 416.482 1.752 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1452856846 HRSYCHPXGHBXRZ-QGZVFWFLSA-N 418.540 1.999 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)CC2 1455514573 RXZLIOMBGGIRSK-CRFBAAHOSA-N 405.476 1.169 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)c2cccc(C(=O)NC)c2)s1 1455984032 MKXMERMQFJOSNO-UHFFFAOYSA-N 407.517 1.778 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CCO1 1460544910 RQCFDBDTWKQCFX-GCJKJVERSA-N 415.490 1.723 30 10 HDEE C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1460883276 QEGWNZJLOMZLNC-BIENJYKASA-N 418.544 1.513 30 10 HDEE N#C[C@@]12CN(C(=O)CCCCNC(=O)OCc3ccccc3)C[C@H]1CS(=O)(=O)C2 1462997833 KXUMNSRKWGYVOW-PXNSSMCTSA-N 419.503 1.480 30 10 HDEE C[C@@]1(C(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)CCC(=O)N1 1464963778 OFKYPBJRAYJGJS-YJBOKZPZSA-N 405.296 1.827 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@]1(O)CCOC1 1466146635 MXFSXJMYNCXYJX-LAUBAEHRSA-N 401.463 1.660 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2ccc(Cl)c(C(F)(F)F)c2)c(=O)nc1O 1470948700 FJCWQCSMDBGANN-UHFFFAOYSA-N 415.759 1.992 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3ccccc3F)C2)nc1 1471984142 PSKIVDJCHMCLPT-HNNXBMFYSA-N 417.466 1.474 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(I)c3)C2)c(=O)nc1O 1472370432 HRUXBJLXCGKSMW-UHFFFAOYSA-N 422.182 1.122 30 10 HDEE CCOC(=O)C1(C(F)(F)F)CCN(CCS(=O)(=O)c2ccc(C#N)cn2)CC1 1473844563 HRGZCJOBFSYDEH-UHFFFAOYSA-N 419.425 1.935 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NCc2nc(-c3ccncc3)n[nH]2)c1 1475400197 AMJOQDUOTANINS-UHFFFAOYSA-N 419.264 1.979 30 10 HDEE CCCNC(=O)CN1CCC(NC(=O)Nc2ccc(Br)c(C#N)n2)CC1 1476945812 GOXJIPFIGVPZGM-UHFFFAOYSA-N 423.315 1.828 30 10 HDEE C=CC[C@@H](CC)NC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1478537898 GLXFXLOXHDBSME-KFWWJZLASA-N 401.529 1.769 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1 1479128288 GQRGPWBHZXQTDU-MAEOIBBWSA-N 419.526 1.978 30 10 HDEE CCOCc1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1503124478 BRGQUTPBNVUNPE-ISLYRVAYSA-N 416.482 1.100 30 10 HDEE COCC1(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1504630858 HKVVPQCUNJBEII-INIZCTEOSA-N 400.483 1.456 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCc1cnn(C)n1 1507524771 DBWZCUVIMKZOOW-HNNXBMFYSA-N 407.478 1.936 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NC)C1 1507571673 JTBWOXQLAAJTDE-SQNIBIBYSA-N 403.527 1.768 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H]1NC(=O)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1507631009 AYQHGJWWOUYIFQ-HZPDHXFCSA-N 419.551 1.087 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1507632539 MYAAAYWAGOHDEJ-SFHVURJKSA-N 405.568 1.657 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3CC)n2CCC(=O)NC)CC1 1507731893 DRZHRPZOVSRLLV-UHFFFAOYSA-N 410.522 1.311 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC2(CCOCC2)C1 1507754156 LSWLJNKTEKKHSA-HNNXBMFYSA-N 421.592 1.698 30 10 HDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1507838730 HCQHVXFHQGVFJD-UHFFFAOYSA-N 400.439 1.772 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1508218656 BNRMMTPGYHJKOE-QFIPXVFZSA-N 421.505 1.354 30 10 HDEE C[C@H]1CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1512520704 XKTCUNNTYLKQST-FCGDIQPGSA-N 418.542 1.400 30 10 HDEE COCCCN(C(=O)c1cscc1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 1523056878 AGTSGJABRVHLIZ-UHFFFAOYSA-N 405.480 1.804 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)nn1 1524608538 UGDSUAJEUFKJPA-UHFFFAOYSA-N 401.492 1.100 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)o1 1526641965 YBQNGGVTECVGGF-HXUWFJFHSA-N 416.455 1.760 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1 1529533225 ACGBGYUZRVTNBS-HKUYNNGSSA-N 407.536 1.154 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)c1C#N 1537403250 QGRZQNXRWSRGOA-UHFFFAOYSA-N 417.473 1.173 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(OCCOC)CCOCC1 1538963768 TWURSNWHRPHTAN-KRWDZBQOSA-N 419.526 1.184 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1539046634 XDWBRLBEVGXGFK-LJQANCHMSA-N 414.554 1.476 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1539148705 NNVSBNVMVACPNX-INIZCTEOSA-N 415.469 1.876 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)CCOC 1539154027 DWIYKUKJZWPGDV-LJQANCHMSA-N 406.508 1.206 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1539304784 GJOMYOVNOKALGZ-UHFFFAOYSA-N 412.515 1.994 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCO[C@H](C)C2)CC1 1539446591 GUDRHWOORSOEKT-WOJBJXKFSA-N 416.570 1.038 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1540007001 IYDZLDISJINJRI-KRWDZBQOSA-N 421.509 1.762 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1540013190 LUNORAKMPNZVJK-SFHVURJKSA-N 402.543 1.668 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1540072818 NYUGTSRUPXICLU-OAHLLOKOSA-N 400.508 1.852 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3CC[C@H](C4CC4)O3)CC2)cc1 1540728645 OTMICKZZKLYNEB-PKOBYXMFSA-N 403.504 1.739 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1540900032 JBGSEMCRDUKEPM-MRXNPFEDSA-N 424.548 1.169 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN([C@@H]3CCOC3)C2)c1 1541080202 DCNATHRNDKSCHS-AXNLMSORSA-N 406.508 1.159 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)CN(C)C1=O 1541363165 OCXBSXWUHXRZBL-NRFANRHFSA-N 408.510 1.473 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)Cc2ccccc2OCc2ccncc2)CC1 1542894555 BUEKABVKOVQFPI-UHFFFAOYSA-N 420.513 1.487 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CC1([S@@](C)=O)CC1 1546532174 BQHIKYDSSDWHBT-MLNJSSBLSA-N 414.539 1.128 30 10 HDEE Cc1ccc(C(=O)NCc2ccc(O)c3ncccc23)cc1S(=O)(=O)NCC#N 1556605405 IBLFLLOPPUNOJD-UHFFFAOYSA-N 410.455 1.981 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 1557328787 QQUQIFRPVGTTFQ-HFTRVMKXSA-N 424.519 1.628 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(S(C)(=O)=O)CCCCC2)c1 1557516099 ZBQOIHDPUNVAGB-UHFFFAOYSA-N 411.545 1.961 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCO[C@H](Cn2ccnn2)C1 1560012932 DOYVDVWPPWPPKB-CVEARBPZSA-N 400.508 1.869 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 1560082080 UDYVRGWELVLVKV-LJQANCHMSA-N 402.476 1.831 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@H](c3nc(C)c(C(=O)OCC)s3)C2)CC1 1560110978 DVTOWCFTSMSEQZ-MRXNPFEDSA-N 404.536 1.195 30 10 HDEE C=CCN1CCC(NC(=O)N2CCn3ncc(I)c3C2)CC1 1563958945 RKCFLQDLVYKAQL-UHFFFAOYSA-N 415.279 1.663 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1564028678 AVGYZQNEJSMIAC-AWEZNQCLSA-N 401.529 1.464 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1 1564997294 HLAXJUDJOSQOPS-YLJYHZDGSA-N 405.882 1.674 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCCc1ccc(C#N)cc1)CCS2(=O)=O 1565064368 FOSDTELWHWMKSJ-GNZRSQJKSA-N 419.503 1.299 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(C)(C)C 1565630417 ZUKFNGDAUDRXFJ-VUAZUDAXSA-N 408.499 1.959 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1568995239 NNJWLJBZVQFWEF-QGZVFWFLSA-N 405.520 1.858 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1sccc1S(=O)(=O)NCc1cccs1 1569675676 FQLOYNDZPQNLBY-LLVKDONJSA-N 415.518 1.398 30 10 HDEE C#C[C@@H](NC(=O)[C@H]1CCCN1C(=O)CNC(C)=O)c1ccc(Br)cc1 1584708780 UPTBULHUZREOKH-HZPDHXFCSA-N 406.280 1.367 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1O)C(=O)OCC 1587286128 UQQWAEUXTRXDIC-CYBMUJFWSA-N 404.872 1.447 30 10 HDEE C=C(C)C[C@@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(=O)OC 1587305567 RNPLAZVTQFEUSW-ZBTAVZRMSA-N 415.490 1.524 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1588459462 XNEOZJRTZPHLLQ-IAGOWNOFSA-N 423.583 1.692 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=C)Br)CC1 1588752877 XFOGVORUORJUHE-GOSISDBHSA-N 424.343 1.594 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCCS2)CC1 1588877018 RNZKARNZQZXUHW-BZSNNMDCSA-N 405.568 1.653 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1589042691 KVPRIKPTRUOQNT-INIZCTEOSA-N 403.483 1.402 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1593636708 QLOFOOGIIPUZRR-HZSPNIEDSA-N 404.558 1.014 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1593757402 CSVFFRSXPFNQIG-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1595219877 ZFZAQSWUYHDZHC-INIZCTEOSA-N 422.511 1.134 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCS[C@H](C)[C@@H]1C 1595537162 MSHNEFBIGYSZEA-QWHCGFSZSA-N 418.523 1.638 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2ccc3c(c2)OCO3)cc1 1596285095 HTCMUABTAIUIOS-UHFFFAOYSA-N 400.456 1.642 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CC1 1596593031 FKRLVACLQOXFML-UHFFFAOYSA-N 412.483 1.390 30 10 HDEE C=C(CN(C)C)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1603131208 PEHSCZUTBHCMQJ-IBGZPJMESA-N 410.356 1.919 30 10 HDEE CSc1nc(C(C)(C)C)nc(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607489209 NZAJTTYNOGVOIB-UHFFFAOYSA-N 414.491 1.636 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1611766970 FINRHCSASNHYNL-IBGZPJMESA-N 413.507 1.496 30 10 HDEE Cc1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)cc1 1612055461 DQEKKWSVXFMROZ-ZWKOTPCHSA-N 415.519 1.460 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1CCS(=O)(=O)C1 1618435799 CVNKLICHPAGWDB-MRXNPFEDSA-N 402.524 1.848 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3cnc4c(c3)NC(=O)CN4C)c2C#N)C1 1618705399 DOKHGFHRQMYOQT-UHFFFAOYSA-N 410.459 1.560 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2CCO[C@](C)(C#N)C2)sc(C(=O)NC)c1C 1620622844 DCBWYQYKKXZPFF-GOSISDBHSA-N 408.480 1.146 30 10 HDEE CC(C)NC(=O)OC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1625526047 GSAMCYUZYKOFOC-CYBMUJFWSA-N 404.854 1.910 30 10 HDEE CNS(=O)(=O)c1ccc(NCCOC)c(NC(=O)c2ccc(C#N)cc2OC)c1 1630575860 NWURBIWUECQRTO-UHFFFAOYSA-N 418.475 1.786 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)cs1)C(N)=O 1630766534 RIVBYCWTIMIPCC-NSHDSACASA-N 401.517 1.846 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(C#CCO)c1 1630851677 XKOCIUFNMICBAK-UHFFFAOYSA-N 407.470 1.578 30 10 HDEE C#CCN(C)CCCNC(=O)NCCCNC(=O)c1ccc(Br)cc1 1630958208 KNBFNZUYEOEEQA-UHFFFAOYSA-N 409.328 1.823 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCc3ccncc3)CC2)cc1 1631228933 DIYKMKLAHDQFOH-UHFFFAOYSA-N 414.531 1.546 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C1CC1)[C@H]1CCCCO1 1631670441 RCZOWIQBIIJDGY-VQIMIIECSA-N 405.520 1.969 30 10 HDEE C[C@H](C(=O)NCc1cc(F)c(C#N)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1633679300 FSISCRQWIFLNCQ-GFCCVEGCSA-N 422.432 1.920 30 10 HDEE C=C(C)[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(F)c(F)c1 1634436117 UOZQFSWUTKFARI-INIZCTEOSA-N 401.373 1.982 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)c1 1636336378 LPMQFKJQWGOSFS-FOIQADDNSA-N 417.487 1.076 30 10 HDEE CC1(C)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@@]1=O 1636701804 RRYBFWDSKXSYBN-BCOMRZATSA-N 416.503 1.523 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OC 1638401071 GEBVVMOFPKBSKN-CABCVRRESA-N 411.499 1.468 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1F 1639271301 GUWVQEVYTGDRJV-MRXNPFEDSA-N 420.803 1.780 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)NC(C)(C)C)c2)C1 1640070647 XINBTPWSHXGGJY-UHFFFAOYSA-N 415.309 1.346 30 10 HDEE N#Cc1cn(CC(=O)NCC2(c3cccc(OC(F)(F)F)c3)CCC2)c(=O)nc1O 1640455968 SOGOADZKXFQIMM-UHFFFAOYSA-N 422.363 1.957 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)c1 1640535141 YUCLRQUOKLMQTG-QGZVFWFLSA-N 401.492 1.275 30 10 HDEE N#CC1(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)CCCC1 1640671398 LEIXELDFZNDZAF-UHFFFAOYSA-N 406.327 1.989 30 10 HDEE C=C(C)[C@H](CO)Sc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N 1643460976 LQQDVKNVLHRBFG-HNNXBMFYSA-N 411.553 1.719 30 10 HDEE COc1ncc(NC(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)cc1C#N 1645095353 OEFIQWFYTDIESW-JTQLQIEISA-N 409.855 1.706 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1645772047 NCVKZSSOUFDCQD-UHFFFAOYSA-N 406.426 1.913 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)ccc1F 1646236077 RQBSMYMEDLMKAD-UHFFFAOYSA-N 421.498 1.835 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)C3(CO)CC3)nnc12 1648909765 GWGYJDWPOGYIRV-CYBMUJFWSA-N 413.503 1.600 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@H]2CCC3(CCOCC3)CO2)c1 1653698309 WRGSWYXCFFYFFQ-GOSISDBHSA-N 406.504 1.502 30 10 HDEE CCN(CCCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CCCCC1 1654703291 GVVOURYZQBOGSS-UHFFFAOYSA-N 406.552 1.997 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCC(NS(N)(=O)=O)CC1 1655284148 ODFYMJOESOGJGP-ZDUSSCGKSA-N 411.553 1.277 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)c1N 1655602522 AUYFGLXHCUDYIF-UHFFFAOYSA-N 421.454 1.679 30 10 HDEE COCc1nnc2n1CCN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 1659314535 OKDSCBNGFJJFQY-UHFFFAOYSA-N 407.396 1.427 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1663904365 KFAOGLPJLLSOMU-SNVBAGLBSA-N 405.274 1.106 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1664763851 BOGXYXYFVALKRX-NSHDSACASA-N 401.282 1.650 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C)C1CCOCC1 1672511131 IRQBDACTNBAGRH-INIZCTEOSA-N 413.927 1.654 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H](Cc2ccc(OC)c(F)c2)C(=O)NC)C1 1673912948 KYSAMAQQEIEIFB-IAGOWNOFSA-N 404.486 1.136 30 10 HDEE Cn1c(=O)c2ccc(NC(=O)N3CCO[C@@H](c4cccc(C#N)c4)C3)cc2n(C)c1=O 1674905022 BXMLBWZETHLYRW-LJQANCHMSA-N 419.441 1.714 30 10 HDEE C#C[C@H](NC(=O)N(C)[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O)C1CCOCC1 1684037270 WHVWIUWEHXKUSL-VQTJNVASSA-N 415.490 1.879 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1684300623 PYTIDHSONCVJHY-OAHLLOKOSA-N 424.479 1.039 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689987817 CRDDZXQYXKFPHC-LZLYRXPVSA-N 406.552 1.987 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccsc2)n1C[C@H]1CC(=O)N(CCOC)C1 1690081347 GTLDTKCCUFBRCW-KRWDZBQOSA-N 401.536 1.885 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCC(=O)NC(C)C)CC1 1690129464 YBIVEYDQSCWYJZ-UHFFFAOYSA-N 412.513 1.678 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCN(C)C(=O)C1 1690159815 NGDUFPHMDVJWPQ-UHFFFAOYSA-N 415.519 1.607 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1690167379 HNAMNUSRCUQXQW-INIZCTEOSA-N 415.544 1.333 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCCN(C)C)CC1 1690396737 LBVOKOOCRVDAMT-UHFFFAOYSA-N 413.526 1.906 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690481969 VCABEXHDNXWMPG-MRXNPFEDSA-N 403.531 1.779 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1690838364 HIKRCHKLUNJRRM-BTYIYWSLSA-N 410.478 1.025 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1692696053 DOBTWCPDZMGODK-APWZRJJASA-N 407.478 1.266 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1=O 1696886954 XFSWTZLNGSABIG-KSFYIVLOSA-N 421.505 1.387 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC[C@@H]1COCCO1 1698247981 LCJNCFXCSCXWQZ-NYUBLWNDSA-N 419.526 1.938 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CC2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1705499045 KDZWFPUQUYVTEK-OAHLLOKOSA-N 420.539 1.576 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705552274 XEQPVEGBACTXPW-INIZCTEOSA-N 411.491 1.083 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cnn(-c2ccccc2)c1 1705626069 HWPAUWXZKDTZLL-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOCC)CC1 1705658587 UGXRGEHMJYJICG-UHFFFAOYSA-N 403.556 1.204 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1705659072 KPYQTOVRGUESIJ-QOIOWGMHSA-N 419.551 1.368 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1705660180 OXWCIUPDVIVJPI-IRXDYDNUSA-N 422.576 1.165 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1705667739 RIIWDKOBHPNCGG-JKSUJKDBSA-N 412.581 1.900 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728318 GEXQFWJAIPWBAF-YLJYHZDGSA-N 407.515 1.236 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1705843696 LSWDWQQPSBWRMP-MDZRGWNJSA-N 410.540 1.531 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC 1705879874 NTEGNFPHZFBOFF-HNNXBMFYSA-N 421.523 1.144 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(F)F)C1 1705907548 PUSRDEPFWSNBDZ-OAHLLOKOSA-N 407.469 1.923 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2ccnn2)CC1 1706029286 GSYCKKHUTKOMMR-UHFFFAOYSA-N 419.493 1.603 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)no1 1707295801 CVHGVWMXPMQBBO-KSSFIOAISA-N 404.496 1.655 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCO[C@@H]2CCOC2)CCOC1 1710447859 JJESYOIYFDXRIS-WIYYLYMNSA-N 419.526 1.866 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C1CC1 1711582285 FMOCCHMONPQWGR-QKLQHJQFSA-N 405.499 1.472 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1712454292 LBWDUUVZVYNPDT-KKSFZXQISA-N 416.526 1.549 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C(N)=O)cc1 1722324355 PZMLDMFELBHOGR-AWEZNQCLSA-N 418.523 1.037 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1722330104 OWZDVGAZYVZIOO-LJQANCHMSA-N 408.510 1.811 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@@H]1OC 1722380651 TYZUUXKDBUHKRK-QAPCUYQASA-N 411.462 1.130 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1722381106 HTPCQHSAALOVQH-FQEVSTJZSA-N 420.517 1.291 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC(=O)N(C)Cc1ccccc1 1722382851 PCCOWYBTCJWCNF-UHFFFAOYSA-N 412.497 1.995 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@@](C)=O)CC1 1722405700 PSGXHCRQQADMKH-HHHXNRCGSA-N 420.560 1.719 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)CC)CC1 1722431979 UOJSLJYSOZKHLI-NHCUHLMSSA-N 405.543 1.235 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1722437701 PDONTGFNSIFIFH-HXUWFJFHSA-N 401.603 1.258 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(OC)CCOC2)CC1 1722439357 ZANGFNHWWAURDL-JOCHJYFZSA-N 413.497 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCCCC2)CC1 1722445123 MIUFFYJJLAEAGY-UHFFFAOYSA-N 424.549 1.945 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCOC(C)(C)C2)CC1 1722577992 VZUQTKSNDPJTNU-KRWDZBQOSA-N 402.543 1.742 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](C)(C(N)=O)C1 1722624479 DJCXWEMMMQTLOK-FQEVSTJZSA-N 416.482 1.300 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722699617 KYGGQEMAQZAIAG-HXUWFJFHSA-N 419.533 1.656 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1Cc1ccc(C#N)o1 1730848326 YIXYNIATGJARFH-JLTOFOAXSA-N 414.466 1.231 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1740531094 FERGXZRYHCQOFG-CYBMUJFWSA-N 420.315 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCC(O)CC1 1740540413 ZJWIDLPLRFABKF-AVRDEDQJSA-N 419.570 1.623 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1740555488 JQNVQWYIIPWCNI-FZFLATATSA-N 405.462 1.248 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1740591440 PGSBOXUIMZHKOF-DLBZAZTESA-N 410.540 1.224 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1740599503 BYFGUAIEGXABDO-HNNXBMFYSA-N 404.540 1.266 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740623239 QHDXYVCLTSYAMN-HUUCEWRRSA-N 418.548 1.115 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](c1ccco1)N(C)C 1740630406 CBVVYSHOXXZTKP-GCJKJVERSA-N 411.506 1.899 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCSC1 1740640267 JGVHFLPPRWTAGN-GHTZIAJQSA-N 410.499 1.731 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1cccc(C(=O)NC)c1 1740642435 PZDFJMDRHDQASR-UHFFFAOYSA-N 412.497 1.939 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1740783311 DKYZZEHEXSBFAK-UHFFFAOYSA-N 406.494 1.570 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1740835685 JNCNUMXNNOCBEA-YLJYHZDGSA-N 424.567 1.767 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(c2cccnn2)CC1 1740986679 DOWIKGQQYUMNGA-MRXNPFEDSA-N 419.555 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(C)C 1740992793 UBNAWRZFAIXODI-HNNXBMFYSA-N 418.585 1.263 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1740995412 KXXKKFNJPIUVHI-MRXNPFEDSA-N 403.556 1.512 30 10 HDEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)s1 1742551007 BSPIBYVYSIVRBE-PWSUYJOCSA-N 411.557 1.606 30 10 HDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCOC2)cs1 1742572017 WYCFYNVCFDWRSE-LJQANCHMSA-N 402.524 1.915 30 10 HDEE C[C@@H]1CC[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1742984290 ONDJZWCCEVPROM-MYDZZUQKSA-N 424.509 1.830 30 10 HDEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1746565680 DTTUYSOICZRWKE-OAGGEKHMSA-N 419.530 1.986 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1747860391 OFIJAQMCCDNUHX-RDJZCZTQSA-N 423.477 1.278 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1CCCO[C@H](C)C1 1748765323 CJANQVOBZWVXEL-QGZVFWFLSA-N 404.559 1.767 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@](=O)CC 1748842153 DTTREPZDZNRBBY-GDLZYMKVSA-N 408.487 1.435 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nc(C3CC3)cs2)CC1 1748971144 FBQRZUWIRCMQKN-UHFFFAOYSA-N 413.551 1.554 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)C(C)C)CC1 1749016682 KQGOLEYHKBBMGX-QHCPKHFHSA-N 424.549 1.637 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749732537 YKPTZMQHGDILGQ-WMZOPIPTSA-N 423.583 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2ccc(F)cc2)CC1 1749736087 ZFQMQPGJEXEKMG-UHFFFAOYSA-N 407.515 1.907 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(F)ccc12 1760163683 ZIGDPZRMGHLQPR-ZDUSSCGKSA-N 418.498 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC(F)F 1760199435 WJAHITKUULZYEO-UHFFFAOYSA-N 415.400 1.170 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NCC)CC1 1760322877 YPJMIBAFIDTIRK-KURKYZTESA-N 418.542 1.615 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760349898 HBSOHCQRKOMFSF-UHFFFAOYSA-N 410.569 1.728 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OC)CC1 1760358902 BIRQQHCKBLHRGW-UHFFFAOYSA-N 400.483 1.745 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1760404727 KLMMDTRAXQIPJD-KRWDZBQOSA-N 421.567 1.770 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(Cc2csc(C)n2)CC1 1760523664 DYNVARLDBBSAOO-UHFFFAOYSA-N 415.567 1.935 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1760529011 TZZKTXCEJPYJPL-MRXNPFEDSA-N 405.499 1.554 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC=CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762429569 JIDZKCFTOAPHFX-VXPUYCOJSA-N 422.493 1.432 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(C)nn2C)CCOC1 1765879345 GXIAHVGSBBFCSN-RBUKOAKNSA-N 403.462 1.462 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1767656965 VPGCKEDLMLNUBC-JTSKRJEESA-N 421.505 1.257 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1768518995 XEFOWKBGFHIJAJ-RBUKOAKNSA-N 423.521 1.110 30 10 HDEE COC[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1)OC 1770778628 AXLXUOPQXYMNBO-ZWKOTPCHSA-N 401.467 1.615 30 10 HDEE CS(=O)(=O)NCC1CCN(c2nnc(C3CCC3)n2Cc2ccc(C#N)o2)CC1 1771366126 XPCWYMDVEGLZSM-UHFFFAOYSA-N 418.523 1.824 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCCc2ccccc2F)CCO1 1771538745 HKIVGAQWGSCQBY-KRWDZBQOSA-N 412.469 1.901 30 10 HDEE N#CC1CCN(C(=O)C2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)CC1 1848682278 GGBNQPHLAFOKRO-UHFFFAOYSA-N 412.490 1.870 30 10 HDEE N#Cc1cn(CC(=O)OC[C@@H]2Cc3cc(F)cc(Br)c3O2)c(=O)nc1O 1849069135 JVGNMPYQMDVREP-NSHDSACASA-N 424.182 1.269 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1 1849490180 DRJCJYBOMLTOBJ-UHFFFAOYSA-N 404.414 1.032 30 10 HDEE COc1ccc(OC)c(CC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1851503844 ZHQHOUKWBQRQRS-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE Cn1ccnc(N2CCC[C@H](NC(=O)c3cn4cc(C#N)cc(Cl)c4n3)C2)c1=O 1851603974 SMUFQCPCLIZUMM-ZDUSSCGKSA-N 411.853 1.352 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cccnc2Cl)C1=O 1854081925 GPYRJBHNUQQIHJ-SJORKVTESA-N 418.925 1.904 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1854393248 FCJRAHYQYWBCNP-MSOLQXFVSA-N 401.507 1.784 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCN(c3nc4c(F)cccc4s3)CC2)CC1=O 1854716131 COMKEFHXFIVUPZ-CYBMUJFWSA-N 401.467 1.846 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCC[C@@H](Cn4nccn4)C3)CCC2=O)ccn1 1854732257 SBXJTEIBBTVDJH-SJORKVTESA-N 407.478 1.336 30 10 HDEE CCn1nc2c(c1C(=O)N1CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC1=O)CCC2 1854948838 AXNKYCKEBJIHCK-IRXDYDNUSA-N 412.538 1.443 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CC(=O)N(C)C1 1855156116 JARCISUPGJZPNN-ZFWWWQNUSA-N 402.882 1.557 30 10 HDEE N#Cc1ccc(C(=O)O[C@@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)cc1 1855421452 SKDOEAIMXZWCJI-SFHVURJKSA-N 402.428 1.740 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1855423921 IKKUSMJVKJPEIY-FUHWJXTLSA-N 411.568 1.464 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCN([C@@H](C)CCC#N)[C@H](C)C3=O)nn2)cc1 1856262301 IJMRJJOBTVFAOO-JKSUJKDBSA-N 410.478 1.700 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cc(-c4ccc(F)cc4)on3)C2)CC1=O 1856328910 KXMKYVHOHICOBP-SFHVURJKSA-N 411.437 1.639 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCN(C(=O)Cn3c(=O)sc4ccccc43)C1=O)CC2 1856554337 ZPGHTYZJGZAUFM-ZBFHGGJFSA-N 410.499 1.816 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](c3ccccc3F)S(=O)(=O)CC2)CC1=O 1856816942 VCVWBSFBVURCLF-PBHICJAKSA-N 407.467 1.276 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@@H]3CCCC(F)(F)C3)C2=O)C1 1857103079 BNAAGRILBLQKQA-CJNGLKHVSA-N 404.417 1.969 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)c3ccc4ocnc4c3)C2=O)C1 1857111739 JBQOKAAXXRTJPW-QGZVFWFLSA-N 403.398 1.599 30 10 HDEE CC(=O)c1c(C)nn(CC(=O)N2C[C@H](CN3CCC4(CC3)C[C@@H]4C#N)CC2=O)c1C 1857224115 XWHYWMXCWYITIB-ZWKOTPCHSA-N 411.506 1.703 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nccc3ccccc23)C1)[C@H]1CCN(C)C1=O 1857263455 GRJBWZCPVDFXMT-LPHOPBHVSA-N 406.486 1.942 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CN3C(=O)COc4ccccc43)C(=O)C2)cc1 1857375135 KWCLJWPMLXRHMK-UHFFFAOYSA-N 404.426 1.155 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@@](F)(C(=O)N(C)C)C3)CCC2=O)cc1C#N 1857418710 RNSKSCDCQIRVLJ-ZHRRBRCNSA-N 414.481 1.748 30 10 HDEE COc1cc(C)c(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1C 1857968918 CKFRXZTVIWKKRR-UHFFFAOYSA-N 401.492 1.793 30 10 HDEE CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(CC(C)C)c1 1861244766 NTRUVGALANHDLD-SFHVURJKSA-N 420.554 1.955 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC(C)C)cn1CCc1cnc[nH]1 1870512070 QCELEKXAYNZVLI-UHFFFAOYSA-N 413.522 1.892 30 10 HDEE Cc1nc(C2=C(N)N(C[C@H]3COc4ccccc4O3)CC2=O)sc1C(=O)N(C)C 1872724445 GMQGXMJQPKAPLQ-LBPRGKRZSA-N 414.487 1.505 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)O 1899949549 UINOWWLGLZZHME-KBPBESRZSA-N 401.504 1.848 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010402585 SLJUYYIHPPTYKO-KKUMJFAQSA-N 423.363 1.992 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 2118166617 KJOLPKGUIRABNL-QZTJIDSGSA-N 422.507 1.094 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)C1 2142142053 BMTHGAFJKDKPPW-SARBKMAYSA-N 418.519 1.904 30 10 HDEE CC1(C)OB(c2ncc(CNC(=O)C3(S(C)(=O)=O)CCC3)s2)OC1(C)C 2166697483 VDVFSCSPAKPAJW-UHFFFAOYSA-N 400.331 1.026 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N(CC#N)CC(F)(F)F)C1 2181048996 KCYVPHHJPSCHOF-NSHDSACASA-N 413.418 1.325 30 10 HDEE N#C[C@@]12CN(S(=O)(=O)CCCCCN3C(=O)c4ccccc4C3=O)C[C@H]1CCO2 2229474639 NYVDAZOISHAZLI-FOIQADDNSA-N 417.487 1.397 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@@H](S(N)(=O)=O)CC1(C)C 2239522066 BJLCHSCOINAHEF-QWHCGFSZSA-N 402.517 1.242 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243702879 TULXJJQHHONNKR-CABCVRRESA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244555317 MAAVZZAFIJGCGI-HUUCEWRRSA-N 408.304 1.498 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)OC1(C)C 2247919091 PHYPJYWPOKATOW-KRWDZBQOSA-N 410.327 1.961 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247931088 WMKMMXDORVWFJU-UHFFFAOYSA-N 420.275 1.057 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC34COC4)cc2Cl)OC1(C)C 2267704210 JZEVLHYZOLOKLN-UHFFFAOYSA-N 405.734 1.864 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)nc1)NC(=O)OCc1ccccc1 2270525256 BKBDXYYLLZTXFK-INIZCTEOSA-N 418.431 1.163 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N2CCSC[C@H]2S(C)(=O)=O)OC1(C)C 2281998118 KQZOKUFNBJLQFE-LLVKDONJSA-N 418.371 1.002 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282335687 STLVSZDNUWRHPI-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](CO)CC3)s2)OC1(C)C 2282336302 BCQBYVGPEYSUDJ-ZDUSSCGKSA-N 401.359 1.830 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](CN)C(F)(F)F)OC1(C)C 2282490908 JOUHUHWWWPATKD-SECBINFHSA-N 414.280 1.463 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@]2(Cl)CC2(F)F)n1 2282499425 CUJCXMPOLCMELH-CYBMUJFWSA-N 411.667 1.014 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(C)CCNC2)OC1(C)C 2282507375 GSAQWUXDAUWEQK-KRWDZBQOSA-N 400.375 1.466 30 10 HDEE Cc1nc(C(=O)NC2CCS(=O)(=O)CC2)c(B2OC(C)(C)C(C)(C)O2)s1 2282520295 QMOXKGGSBMITQZ-UHFFFAOYSA-N 400.331 1.058 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](F)C1CNC1 2282835293 RXOJFYNMLOPREC-GFCCVEGCSA-N 404.338 1.192 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCC2CCSCC2)n1 2282837977 YURLOYWXIWECSM-UHFFFAOYSA-N 401.363 1.141 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282837986 IOTGCDHBAPZYPO-HNNXBMFYSA-N 423.340 1.678 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)c1 2282837989 IOTGCDHBAPZYPO-OAHLLOKOSA-N 423.340 1.678 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839957 KMIDWLYXZCSSKX-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE C[C@@H](CC(N)=O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843499 OLIRQZGNIDDHAN-NSHDSACASA-N 402.347 1.073 30 10 HDEE C[S@](=O)CC1(C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855379 CVBDWTJQCFKSOJ-VWLOTQADSA-N 419.399 1.436 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@](C)(=O)N3CCCC3)c2)OC1(C)C 2282859026 HDOTXTJYIGXPTP-RUZDIDTESA-N 420.387 1.845 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](CC(=O)O)C(=O)O)sc2Cl)OC1(C)C 2284375554 GECTVWGZUWMMAZ-QMMMGPOBSA-N 403.649 1.358 30 10 HDEE CO[C@H](C)[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284387390 OOKVRGOVLWGULC-KCJUWKMLSA-N 403.693 1.919 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1C[C@@H]1C(=O)O 2284406045 SVIGXFWUDRIXEN-AXFHLTTASA-N 401.315 1.435 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284409453 JLBVRMYAVZJPAJ-LBPRGKRZSA-N 403.331 1.720 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@H]2[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2359277106 MAIIGBQDZBBDDM-XDTLVQLUSA-N 401.359 1.712 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1[C@@H](O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365198832 JDASXSKYQGHBST-AGIUHOORSA-N 410.483 1.146 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(CO1)C2 2365211019 KGZGZCYCFWYHFX-JVPBZIDWSA-N 400.541 1.617 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365211720 OZMQUJKHPRTIOY-HRCADAONSA-N 402.557 1.802 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367784641 BXBDYHZOJQCXCT-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE CO[C@]1([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367797266 UFBRTUNQMBIYCM-HNAYVOBHSA-N 401.525 1.734 30 10 HDEE CO[C@@H]1C[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367801966 XDDGCSYMDPAQQP-OAGGEKHMSA-N 401.525 1.590 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2367806992 OXIUYTVDTXGJNA-LIRRHRJNSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCC1(C)C 2367814137 BXSHNYPTVKBBLT-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2367818260 MIKGLCOLRPHDBK-HNAYVOBHSA-N 400.541 1.307 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367822911 XRHHKUAPHUGMBA-VCBZYWHSSA-N 400.541 1.340 30 10 HDEE Cc1cc(C)n(CC(=O)Nc2cccc(C(=O)NC[C@H]3CCCO3)c2)c(=O)c1C#N 21354335 RWPPNXJADODVSS-GOSISDBHSA-N 408.458 1.884 30 10 HDEE O=[N+]([O-])c1ccccc1-c1ccc(C=NNC(=S)N[C@H]2CCS(=O)(=O)C2)o1 254800515 UGZHKPIKIOGNAE-NSHDSACASA-N 408.461 1.840 30 10 HDEE C[C@H](C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)n1cnc(C#N)n1 409951871 WNYYEYAMYYPTNN-YPMHNXCESA-N 406.368 1.647 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 431669572 IFLAUPCYVJEEBE-CTNGQTDRSA-N 413.566 1.669 30 10 HDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 432054034 JDEVSFRAYNZXOT-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE N#Cc1ccc(C2(C(=O)NC3CCN(S(=O)(=O)C4CCOCC4)CC3)CC2)cc1 444028915 IDBYACOJCJCLHG-UHFFFAOYSA-N 417.531 1.679 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ncn(Cc4cccc(F)c4)n3)CC2)c1 444106146 FRRNVVYCPNUQDA-UHFFFAOYSA-N 420.452 1.764 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(CN2CCCC2)CC1 482182159 PNHGKGPTEAPHQY-INIZCTEOSA-N 404.536 1.559 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN([C@@H](C#N)c4ccccc4)CC3)ccn2)CC1 487390027 OODYFBQRTDHPFJ-NRFANRHFSA-N 404.518 1.856 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(F)c(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 488819705 FCRWUWCDPIYSNG-GFCCVEGCSA-N 411.480 1.987 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)NCc2ccco2)cc1 502410097 LKFRLDCFCTVCNP-MRXNPFEDSA-N 413.459 1.491 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 508464481 MMZQOENZXBKSAF-XSWJXKHESA-N 413.544 1.237 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(CC)no2)CC1 508490542 BXVVMTSGCHZDPX-CQSZACIVSA-N 402.503 1.431 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(S(C)(=O)=O)CC1 508744257 CHNUJCALQLYJCI-UHFFFAOYSA-N 416.551 1.499 30 10 HDEE CN(C)C(=O)[C@H]1CC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)O1 526975595 XVQGLJLQLLSNSL-RBUKOAKNSA-N 400.479 1.747 30 10 HDEE Cc1ccccc1-n1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C)c1=O 530318138 YZBKDWBQEPKCCD-UHFFFAOYSA-N 404.495 1.813 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 544724334 GEXZHQOCEJTEHS-UHFFFAOYSA-N 406.464 1.766 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 545464201 YPANRYLTDCBTEW-HZPDHXFCSA-N 424.505 1.349 30 10 HDEE CS(=O)(=O)C[C@@H](NC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 546925552 LQMSPGXCCSPDIW-GOSISDBHSA-N 413.503 1.571 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 561726015 AXZCVCWREQJWIR-UHFFFAOYSA-N 408.501 1.799 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCCO2)CCO1 573333075 YALHXMRZSDUEHH-KBPBESRZSA-N 407.434 1.502 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)OCCO2 588682187 OUOLIPVXQXREDH-LLVKDONJSA-N 407.897 1.475 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@@H]3CCCO3)c2=O)c1 603797822 HKCMPJQZMROYHG-SFHVURJKSA-N 423.538 1.523 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4ccc(C(N)=O)cc4)CC3)cc2C1=O 605143119 HLAGQQXFLKXOLL-UHFFFAOYSA-N 418.453 1.530 30 10 HDEE COCCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 609603427 YSCMPIDRNHJJSF-UHFFFAOYSA-N 419.434 1.372 30 10 HDEE C=C(C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670201119 JDVWCGJNBLXMHK-FXAWDEMLSA-N 409.538 1.905 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCC(NS(C)(=O)=O)CC1 670204239 TXDPPNVGHCPMQJ-UHFFFAOYSA-N 419.551 1.994 30 10 HDEE C=CCOCCNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 679517608 HNHQYERGHZRKAO-UHFFFAOYSA-N 419.297 1.121 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccnc1 727814754 YPHXHTKRRSQVQK-UHFFFAOYSA-N 422.510 1.416 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3)C2=O)cc1 731885298 MPQBFNVDZXLACT-IBGZPJMESA-N 411.483 1.476 30 10 HDEE C[C@@H]1CN(Cc2csc(NC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)C[C@@H](C)O1 732674780 LTHUOQGBBXZMOB-CPUCHLNUSA-N 404.540 1.956 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(=O)n(C)c1=O 749374629 XWNJKKNITLAQCE-UZYOAWRESA-N 403.236 1.241 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(C(=O)N=c2cc[nH]cc2)c1 754275502 DOKQSRLAEFXSTO-XDOYNYLZSA-N 419.441 1.289 30 10 HDEE CNC(=O)Cc1nc(COC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)cs1 754813608 XQYJSZGQIOXNNO-UHFFFAOYSA-N 421.500 1.866 30 10 HDEE COC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC#CC(=O)O 757470985 NUMQVMNKWJIHMI-HXUWFJFHSA-N 422.437 1.744 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1C 758750629 GNOKHRZGJVIMDJ-IAGOWNOFSA-N 400.479 1.909 30 10 HDEE CC#CCCOC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 760284213 XZJJKENYDWPNDS-UHFFFAOYSA-N 402.266 1.759 30 10 HDEE O=C1N=C(NN=Cc2cc(Br)ccc2OCc2ccccn2)NC1=O 765582901 BTJNQIOBBKCYFU-UHFFFAOYSA-N 402.208 1.359 30 10 HDEE COc1ccccc1NC(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 767672878 ADVBQMVNJUFYLZ-CYBMUJFWSA-N 417.443 1.416 30 10 HDEE COC(=O)c1cncc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 768997268 DDJJJSPRLQLXEM-LLVKDONJSA-N 402.432 1.324 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1CCc1nnnn1C 771536304 FQXYVFWNTGQDKD-OAHLLOKOSA-N 413.507 1.361 30 10 HDEE C#CCN1CCC(C(=O)OCC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 772111326 YPVZPRDIJPPJAD-UHFFFAOYSA-N 408.502 1.994 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2ncc(CC)s2)CC1)c1cc[nH]n1 772300372 DUAIZCSPKIIBKE-UHFFFAOYSA-N 420.495 1.061 30 10 HDEE CC(C)Cc1ncc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)s1 772896153 BMPIBHOFBNIABG-CQSZACIVSA-N 400.529 1.770 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1)[C@@H]1CCS(=O)(=O)C1 774234434 HYOQJVCJEQUWEU-JKSUJKDBSA-N 421.519 1.114 30 10 HDEE COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCC(=O)NCC#N)C(=O)OC2 780119883 XEVJECKPSNAHOR-UUILKARUSA-N 416.430 1.832 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C)OC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1OC 780206076 PXZNTVFKPNZYRG-VLIAUNLRSA-N 412.442 1.899 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc3ccn(CC(=O)NC)c3c2)n1 788618165 UMKMIDVDZHLYTC-UHFFFAOYSA-N 422.489 1.898 30 10 HDEE C=CC[C@]1(C(=O)N(C)CCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 790701810 KKEYHBHCWNFLIZ-LJQANCHMSA-N 415.556 1.826 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C(=O)OC)c3ccn(C)n3)ccc2c1=O 797758943 SEESMEYWCGQZFG-OAHLLOKOSA-N 413.459 1.249 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)NC3CCN(C4CC4)CC3)C2)c(F)c1 805585741 PUAVKOIUINMDLL-INIZCTEOSA-N 414.481 1.810 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 810515828 VWEPUIMUKRURSU-CZUORRHYSA-N 418.473 1.590 30 10 HDEE COc1cccc(C(=O)COC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 811031855 ZEWICEDELOICQB-UHFFFAOYSA-N 417.443 1.335 30 10 HDEE CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(O)C2=O)c1 816690526 UUSQUJBJSJSTRH-MRXNPFEDSA-N 423.878 1.885 30 10 HDEE CCOC(=O)c1cc(COC)cc(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)c1 817012662 DTPHVIGUMAPRRQ-HNENSFHCSA-N 401.419 1.865 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 918479906 RSKOWNLQOZERSF-INIZCTEOSA-N 401.444 1.792 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)CCCN2C(=O)CN(C)C2=O)CC1 926055026 CLKXUOYEZVRTBR-CHWWFWEZSA-N 406.483 1.523 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)[C@]2(C#N)CCCOC2)CC1 1124730461 BUCGXFFLYMBCOT-SFHVURJKSA-N 422.463 1.057 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2ccc(OCC)cc2)CC1 1127006119 CZYMOITWLRDGLH-FQEVSTJZSA-N 416.522 1.639 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(C)c1ccc(C#N)nc1 1130448015 GLFJVABJSXUCNQ-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE CC(C)NS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1F 1135005913 MIIQJIRWINSIBK-UHFFFAOYSA-N 407.427 1.363 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cnnn1-c1cccc(Cl)c1Cl 1136672260 HOCMBGCDCFEODI-ICFOKQHNSA-N 421.244 1.830 30 10 HDEE COC(=O)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Cc1cccc2ccccc12 1136746694 FMSBBQUHROHWES-INIZCTEOSA-N 420.425 1.122 30 10 HDEE CO[C@H](C)c1noc(CN2CCCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)n1 1137161953 CHTMWPVTRPIRMH-CYBMUJFWSA-N 400.439 1.406 30 10 HDEE O=C(Cc1ccc(I)c(Br)c1)NCC#CCO 1139145367 AUIYWPLKKFCHBY-UHFFFAOYSA-N 408.033 1.708 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(C)ccc(Br)c2OC)CC1 1140132620 KTTRDGGLBRKFEC-UHFFFAOYSA-N 408.296 1.273 30 10 HDEE N#Cc1cn(CC(=O)NC2C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C2)c(=O)nc1O 1141552235 HUASDBBZPBIFBG-IUCAKERBSA-N 412.290 1.846 30 10 HDEE C=CC1(CC(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)CN(C(=O)OC(C)(C)C)C1 1141971853 UFIBELCNPBUFBE-CABCVRRESA-N 414.524 1.214 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1142418232 BTIPMLJHGSQJLP-HNNXBMFYSA-N 414.531 1.847 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)c1 1159838609 XCWLDAKATMYFNK-UHFFFAOYSA-N 421.519 1.844 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)Nc2ccccc2-n2cnc(C#N)n2)cc1 1160794112 IRDRRXIJCSWADI-ZHACJKMWSA-N 402.414 1.959 30 10 HDEE N#CC1(CNC(=O)c2ccc3ncc(I)n3c2)CCOCC1 1180616822 KHVHDGBXWIEMHG-UHFFFAOYSA-N 410.215 1.989 30 10 HDEE COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1Cc1ccc(C)c(C#N)c1 1188761573 XYXIHZCHOVMJES-UHFFFAOYSA-N 409.427 1.734 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccn(C(C)(C)C(=O)OC(C)(C)C)n2)CC1 1207894888 AFOQBZQUMYPBPD-UHFFFAOYSA-N 417.510 1.953 30 10 HDEE C=CCOCCNC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1253534097 YGAJLSCPBRFLPG-MRXNPFEDSA-N 408.503 1.852 30 10 HDEE Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1264450813 HINGUYFQCRVOGK-KRWDZBQOSA-N 415.446 1.452 30 10 HDEE O=C(CN[C@@H]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1)NCC#Cc1ccccc1 1264471393 RXBPEQWVWOTAHP-YKQBVJPBSA-N 421.541 1.452 30 10 HDEE COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1276628434 SQWRFSNEOAGISI-LLVKDONJSA-N 422.488 1.613 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCC)nc1C 1286299127 SJBBYQAPNXKKRZ-RDJZCZTQSA-N 418.567 1.991 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1286396751 HRNPRKPTXZNDKW-UHFFFAOYSA-N 413.441 1.145 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1nccs1 1286403130 HXCTXNJQBHGSON-UHFFFAOYSA-N 415.486 1.693 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1286412909 PBRXTUCUPIGJAF-MRCUWXFGSA-N 406.490 1.610 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCS(=O)(=O)C(C)(C)C)n1 1286469276 GYFVXXIEKHBEOT-UHFFFAOYSA-N 422.555 1.283 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2CCCO[C@@H](C)C2)CC1 1286483672 TWLVFXRUFSZFJX-IBGZPJMESA-N 400.571 1.487 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(Cc1ccnn1C)C1CC1 1286494055 JDCGAUJWHHFNBL-UHFFFAOYSA-N 401.540 1.685 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286497103 MXKWBJSLBFIJEH-BEFAXECRSA-N 407.540 1.227 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1286537904 JKZXGFQOVPZDSE-DYVFJYSZSA-N 410.316 1.797 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286606266 LCHDQULEZSSNID-IRXDYDNUSA-N 416.526 1.413 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS(=O)(=O)CC1 1286678190 RUPKTWHWUICBGM-HOTGVXAUSA-N 412.556 1.839 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286688853 ZNDMIDVPJCVRIG-HUUCEWRRSA-N 415.498 1.058 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1286782964 JDPUHODIUSSHSW-CQSZACIVSA-N 416.913 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(CC)CC1CC1 1286783288 JHYAWQBVXICKOG-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(F)(F)C1 1288868672 CPURLPLLHITZEB-RWMBFGLXSA-N 418.470 1.052 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C)nn2C)c1 1290076877 COOCKOUOIBZXSO-LJQANCHMSA-N 407.478 1.985 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H](c1cccs1)N1CCOCC1 1300428460 GHHCGOJMUJPBLU-MRXNPFEDSA-N 416.551 1.621 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1300707213 XFILWYBKBNXEFP-AUSIDOKSSA-N 409.534 1.358 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300888116 HYCQPQPFUNKOKN-YJBOKZPZSA-N 411.572 1.682 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(CC)s2)C1 1301535790 OSZLZKGLDHWBEV-CQSZACIVSA-N 417.539 1.758 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1301960676 ZNAGJUSDLCOWRW-GOEBONIOSA-N 422.484 1.630 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1302223716 JDHLIKRRAJWJJL-OAQYLSRUSA-N 413.478 1.475 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCCn1ccnn1 1302278329 PPRJAROJVZGSLS-IRXDYDNUSA-N 414.514 1.814 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1305244755 KACJOGHVHWXTDU-CRFBAAHOSA-N 414.422 1.122 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)s1 1307757509 RBKNIFZSOZQXQH-CYBMUJFWSA-N 414.553 1.943 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1310185955 ADMGTTQODAIIOW-GOSISDBHSA-N 401.511 1.875 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 1312736033 HLIXBERQHGTVGK-UHFFFAOYSA-N 420.513 1.842 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1314345066 SPGDDRQAOOZGDK-KBXCAEBGSA-N 416.448 1.613 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@@](C)=O)CCC1 1316208246 BKESWDMVARVEGL-SLBZEPJWSA-N 411.528 1.032 30 10 HDEE COCc1cncc(C(=O)[C@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1356060535 VEBPBUVDWGVZCY-SFHVURJKSA-N 419.441 1.987 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1358913407 NLVCOQVTHFTZSG-QGZVFWFLSA-N 407.540 1.571 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)(C)C 1358946743 HDBMGMNDFPZZNI-UHFFFAOYSA-N 407.478 1.826 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@@H]1C 1359018645 XUKXALQYGQMKCN-KRWDZBQOSA-N 411.510 1.496 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(O)CCC[C@H]1C 1359027063 UQIXOFFOGFHHKO-IERDGZPVSA-N 400.527 1.777 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1359216366 VIIVOSYUJQFKSB-INIZCTEOSA-N 409.556 1.595 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1359278782 GQYBDESTYOQXLX-UHFFFAOYSA-N 417.473 1.998 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(C)=O)CC1 1359295292 WYWXYUSDRBZSRB-UHFFFAOYSA-N 408.462 1.662 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cnc(C)s2)nnc1[C@@]1(OCC)CCOC1 1359305660 JPBBYCFZNJLOBY-LJQANCHMSA-N 420.539 1.634 30 10 HDEE C#CCN(C(=O)c1cc2ccc(N(CC)CC)cc2oc1=O)[C@@H]1CCS(=O)(=O)C1 1359871913 TWICHDFGQBICIH-QGZVFWFLSA-N 416.499 1.902 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1438908988 PSZLLUPFTUITLN-KRWDZBQOSA-N 424.519 1.644 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@@]4(CCOC4)C3)C2)C1 1448097836 QFUVYOOBHLSJPI-CMZAIVPFSA-N 405.495 1.791 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cn(C)cn1 1451048769 BCDVNUADYGPYOP-MRXNPFEDSA-N 403.508 1.232 30 10 HDEE C[C@@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCS(=O)(=O)C1 1463930295 PUGCSLIIIMJKHG-MRXNPFEDSA-N 412.309 1.450 30 10 HDEE C#CCC[C@@H](O)CNC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1467524351 SEMGKIWTUWAXJA-OAHLLOKOSA-N 420.514 1.247 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)CC1 1470840520 NEFDFLXUTUSJQU-DLBZAZTESA-N 406.527 1.945 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCC[C@H]4CNC(=O)C4)CC3)n[nH]2)cc1 1471264930 FNOQLKPNKMMVHS-MRXNPFEDSA-N 407.478 1.306 30 10 HDEE C#CCN1CCC(NC(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1471938824 WWLWRRCHELUPKS-KRWDZBQOSA-N 406.527 1.106 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(OCc4ccccc4)nc3)C2)c(=O)nc1O 1472369591 GIPQMCAPTGSYRC-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCn1c(C(F)(F)F)ccc(C#N)c1=O 1473077843 LCYIKGQSSDLJMF-QPEQYQDCSA-N 401.366 1.719 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccccc1)N1CCOC2(CCS(=O)(=O)CC2)C1 1473889095 PYMMFNAEHXGCPX-QGZVFWFLSA-N 405.520 1.601 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2C)CC1 1475836629 BQROGNGAUIYTCO-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1503807873 AAPOSYVELHXYIR-QGZVFWFLSA-N 404.478 1.680 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1504598236 MOLOHBSIJUPBNP-QGZVFWFLSA-N 416.457 1.096 30 10 HDEE COCC[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504787429 VBHOTBIKJNGYHC-DVSFIDLUSA-N 414.510 1.620 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1507558365 WQKRWZGVMDAKLU-GJZGRUSLSA-N 411.528 1.081 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)NC(=O)OC(C)(C)C 1507596904 QRMYHSDTMJCRGB-HNNXBMFYSA-N 404.515 1.887 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCSC1 1507606203 DJEQKIVZBTYBLY-GOSISDBHSA-N 406.533 1.286 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)COCCO1 1507651591 RGARDCQXBQGRIG-JOCHJYFZSA-N 404.474 1.395 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCN1CCOC[C@@H]1C 1507655901 PPTUEWSABDVYKG-SFHVURJKSA-N 411.481 1.790 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(OC)c1 1507658221 HOPHFUPGPSXANJ-UHFFFAOYSA-N 409.490 1.945 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCS(C)(=O)=O 1507661417 VBHRWESIXZFWME-FQEVSTJZSA-N 422.551 1.216 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN(C)CC(F)(F)F)CC1 1507732661 JCRIGXQREZZBKF-UHFFFAOYSA-N 402.465 1.454 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1507910590 WGYAJDDMPRMZBX-HUUCEWRRSA-N 407.515 1.379 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1508071085 AUAIXSWEIAZPKK-SJLPKXTDSA-N 410.522 1.929 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cn[nH]c2)C1 1508114120 JUPPARTXWSYEPV-XLIONFOSSA-N 402.499 1.677 30 10 HDEE CN(C)C(=O)CCCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1516957955 UWPDEFRAOKCPTR-UHFFFAOYSA-N 409.494 1.634 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)c1 1525998011 NBCIDGOBQOQVJJ-UHFFFAOYSA-N 408.370 1.581 30 10 HDEE C=CCn1cc(C(=O)N2Cc3cccc(Br)c3C[C@H]2C(=O)OC)nn1 1527231075 JIYYYUCORRMCTJ-HNNXBMFYSA-N 405.252 1.967 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nn1 1529265312 WAYARTVKGRGRKS-QGZVFWFLSA-N 403.508 1.322 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccnc(F)c3)CC2)cc1 1533351081 ZRZVCWPCZJTCBL-UHFFFAOYSA-N 417.466 1.375 30 10 HDEE CCOC(=O)N1CC[C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1537711417 DWDHYZINOBVHFH-KBPBESRZSA-N 404.854 1.912 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539112523 SZVOADHDAOEHSV-GOSISDBHSA-N 417.535 1.784 30 10 HDEE C#CCCCn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1539140145 MWLXEWVWJDIHEW-JXFKEZNVSA-N 416.482 1.613 30 10 HDEE C#CCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140473 OJSUCKUHVASRIT-AVRDEDQJSA-N 415.538 1.933 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCSC1 1539238415 WKXUORKAKRXLKK-VQTJNVASSA-N 404.536 1.260 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](CC(C)C)NC(=O)OCC 1539259495 DBDQZGCBFSVVCI-DLBZAZTESA-N 414.510 1.463 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1539362197 SBCJMGSVYHSTHT-OAHLLOKOSA-N 412.885 1.628 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(C)=O 1539370486 WORXGXSXIWBPKQ-UHFFFAOYSA-N 410.526 1.438 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCN3CCCC3=O)C2)C1 1540496283 NDPVYFUGQRFFIV-TZQQIIETSA-N 404.511 1.902 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)CCc1cccs1 1540862106 RCPIFXKTYFZQKP-UHFFFAOYSA-N 416.551 1.947 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](OCC)C1 1540872797 AQOLLMDVTWDKIP-INIZCTEOSA-N 404.540 1.941 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCc2oncc2C1 1540902611 MWQWOOUXXQTBQZ-INIZCTEOSA-N 407.496 1.671 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1542027292 OTRJIQFBKXZUNO-HXUWFJFHSA-N 424.440 1.899 30 10 HDEE CNC(=O)N1C[C@@H](C(N)=O)C2(CCN(c3ccc(C#N)c(C(F)(F)F)c3)CC2)C1 1548375765 VIGPMVBJYWUVIT-HNNXBMFYSA-N 409.412 1.920 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c1 1552665354 XZOIWYZFOCTHBD-ZWKOTPCHSA-N 410.478 1.608 30 10 HDEE COCc1nocc1Cn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1555328862 DLZUOPLRIONDCC-OAHLLOKOSA-N 410.434 1.865 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCSC1 1556092402 BZZIWLIMGUSWAU-IAEFTCJHSA-N 423.535 1.938 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cn1 1557106682 MKBXSZGPQJODHM-QGZVFWFLSA-N 420.429 1.780 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCN(CC(F)(F)CO)CC3)CC2)c(F)c1 1557266257 JWRSCZXUEPRXJD-UHFFFAOYSA-N 410.440 1.686 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OCC 1557933864 BSFPFFZCJZMVJQ-OAHLLOKOSA-N 400.884 1.931 30 10 HDEE CS(=O)(=O)c1cc(C(=O)NCC2(C#N)CCOCC2)ccc1Br 1558775780 FSRFVMWPWOZHAX-UHFFFAOYSA-N 401.282 1.903 30 10 HDEE COc1ccc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1Cl 1559448961 XFUNMNCFNZEOFV-UHFFFAOYSA-N 405.838 1.934 30 10 HDEE C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1561778430 CQCWPCWHAXYXMV-MRXNPFEDSA-N 414.549 1.603 30 10 HDEE COc1cc(CNC(=O)N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)ccc1C#N 1564714622 YVZXYZYGSKQJQW-QRVBRYPASA-N 414.506 1.908 30 10 HDEE N#CCOc1ccc(CC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2O)cc1 1566788962 BPZOWYSPGBXDKM-UHFFFAOYSA-N 401.444 1.916 30 10 HDEE C=CCOCC(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1570326968 YMXOYYAEJJAIRY-SJORKVTESA-N 422.526 1.583 30 10 HDEE C[C@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1570694673 GJMJONDAXWUSDI-MSOLQXFVSA-N 408.817 1.123 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1583214043 PXGDJMDFJOCECA-CABCVRRESA-N 403.545 1.776 30 10 HDEE CS(=O)(=O)N1CCC[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1583214719 XPKRBSSWSLKLJU-AWEZNQCLSA-N 400.298 1.403 30 10 HDEE C[C@]1(c2ccc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)cc2)NC(=O)NC1=O 1587187466 WLDVSHKLXBFQMN-YADHBBJMSA-N 403.442 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1588084681 UIIQDUFOBQEMFY-KBPBESRZSA-N 411.478 1.397 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1588159377 UWECPFFTRBSWAO-UHFFFAOYSA-N 410.522 1.266 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1 1589484911 VYVADERKGTXEDE-GUXCAODWSA-N 402.474 1.937 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CC(=O)N(C)C[C@@H]1C 1589495383 QMHBPQWDGRMOBQ-BMFAXAFESA-N 421.542 1.650 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1593932002 BYELQIMMZBNDQB-DNVCBOLYSA-N 424.933 1.627 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc(C)s1 1595308022 SOIZDLHJILOUIS-UHFFFAOYSA-N 402.528 1.987 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(N(C)C(C)=O)CC1 1595529789 IBUHSCLHBFTNDY-UHFFFAOYSA-N 411.510 1.398 30 10 HDEE C=CCC1(O)CCN(C(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 1596593117 HFEWBUOLYMBFHI-UHFFFAOYSA-N 409.508 1.195 30 10 HDEE CC(C)C(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1598136982 ICUAKKQPVCGSAM-HNNXBMFYSA-N 407.478 1.927 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1598567452 KKTKCEAFWIPAIQ-WYGUVQOISA-N 409.508 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2=O)C1 1603255888 ZSFRRIROSVACOM-HFZMZTSTSA-N 402.495 1.653 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)cc1Br 1607489640 RGCIIHHYAMRNKP-UHFFFAOYSA-N 403.236 1.897 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccc(Br)cc3-n3cnnn3)CC2)C1 1611534377 VCJJWNCCYWLHSH-UHFFFAOYSA-N 418.251 1.903 30 10 HDEE Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)o1 1612031282 ICYLXLZXKODQKL-KSSFIOAISA-N 422.486 1.570 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCC[C@@H](C)C1 1612800604 GSPGJDRWVVLLGD-MSOLQXFVSA-N 417.558 1.657 30 10 HDEE CC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)CCO1 1614260024 DBPWFXHDPIPTGY-KRWDZBQOSA-N 412.494 1.822 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NC(C)C)CCOC1 1616202382 HCDADOZHJVJZNA-FQEVSTJZSA-N 404.515 1.585 30 10 HDEE Cc1cn2nnc(C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)c2c(O)n1 1616458188 PCGBDWWMUDBCPG-UHFFFAOYSA-N 405.418 1.974 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1620025593 QWSAUCIUDPTMRZ-DOTOQJQBSA-N 415.498 1.240 30 10 HDEE CC[C@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)[C@@H](CC)CN1C(C)=O 1621195889 KPLDBUSQTSSHFF-GJZGRUSLSA-N 409.483 1.984 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)Nc2ccccc2O[C@@H](C)C#N)cc1 1623713941 GBMHHGDHHMZJLA-ZDUSSCGKSA-N 416.459 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1625192459 CQCJQGSJVJYMFL-HXUWFJFHSA-N 417.466 1.213 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H](CN3CCOCC3)C2)c1 1625944379 HRXCAASDAJBKPE-HNNXBMFYSA-N 409.483 1.307 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(-c2cnc[nH]2)cc1 1627549536 OUAZYYYKSVTYFN-AWEZNQCLSA-N 409.471 1.932 30 10 HDEE N#Cc1cn(CCC(=O)NCCc2cnc(SC3CCCC3)nc2)c(=O)nc1O 1628655067 DMZXYWQGIAXGIQ-UHFFFAOYSA-N 414.491 1.394 30 10 HDEE C#CCN(CC(=O)NCC(=O)Nc1ccc2c(c1)OCCO2)C(=O)OC(C)(C)C 1631422171 PUGXBIFQZVRIBF-UHFFFAOYSA-N 403.435 1.383 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 1632960543 JOEPVDBVUIOFKR-UHFFFAOYSA-N 424.935 1.689 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccccc2C#N)CC1)[C@@H]1CCS(=O)(=O)C1 1637450022 UNQNAKFTHDTIRX-GOSISDBHSA-N 400.504 1.359 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc(Br)c(S(=O)(=O)NC(C)(C)C)c1 1637990634 VOGWENOODVOLGB-GFCCVEGCSA-N 417.325 1.640 30 10 HDEE COC(=O)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1639214473 OMHXTJFGJPKVJX-HNNXBMFYSA-N 407.473 1.207 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC3CCN(S(C)(=O)=O)CC3)nnc12 1640591004 KFPYDIZPLGLTMN-UHFFFAOYSA-N 419.532 1.746 30 10 HDEE COc1cccc([C@@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)OC)c1 1641146320 CQNDTMNQRNDDJV-LJQANCHMSA-N 402.472 1.986 30 10 HDEE C#CCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1642208199 HRNMRLAANZKFNI-QGZVFWFLSA-N 416.526 1.631 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@@H](c4nc[nH]n4)C3)C2)C1 1643293002 QCTMEENIBCKIKN-MGVZARIASA-N 400.483 1.907 30 10 HDEE CCN(C(=O)CN(C)[C@@H]1CCC[C@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1644117268 VORGTUGKVHMMFH-DLBZAZTESA-N 424.505 1.556 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1644465988 NIGQAVJKLQWZBC-JKSUJKDBSA-N 405.499 1.744 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1647403032 FOIJZOXYBCPKDC-KRWDZBQOSA-N 407.536 1.934 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@H](c4ncccn4)C3)C2=O)cc1 1652591583 XQKGLUMQWNQQPL-RDJZCZTQSA-N 404.430 1.569 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1653917215 BYEZFZRWJZEILB-KHYOSLBOSA-N 415.556 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(CS(N)(=O)=O)CC2)CC1 1654292122 OFGRECNTSFYNIK-UHFFFAOYSA-N 413.540 1.164 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)cn1 1664348718 FTVJWFVJDYDYOA-VOTSOKGWSA-N 419.459 1.198 30 10 HDEE C#CCSCCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1667412260 DSJAFAGJXMTSKH-DLBZAZTESA-N 412.533 1.308 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCS(=O)(=O)[C@@H](C)C2)cc1 1667955984 HDSBPDUDKUBIEW-ZFWWWQNUSA-N 415.537 1.580 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)nn1 1668184711 QNSBCAAYFFUFQZ-OQKWZONESA-N 417.495 1.599 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCN(c3nccnn3)CC2)CC1 1671874236 CRVSRMQUDMQIEC-UHFFFAOYSA-N 408.466 1.360 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CC[C@@H](Oc3ccc(C#N)cn3)C1)CCO2 1676004790 LPRNDMJUEZANQD-JWRWLIQVSA-N 414.462 1.617 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N(CCC(F)(F)F)C[C@H](O)CO)C1 1686055678 MTJROUKIZSFNEX-AGIUHOORSA-N 424.420 1.063 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)C1CC1 1689961061 JXRYEFPVDJSSCE-QFIPXVFZSA-N 406.490 1.905 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC2(C1)OCCO2 1689973272 ANQFIHWLFLQLMG-HNNXBMFYSA-N 415.519 1.882 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC2(O)CCOCC2)CC1 1690115665 OPHIGVSGDXKMGN-UHFFFAOYSA-N 420.517 1.504 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690122698 ZVBAXHSNBBLVQA-RTBURBONSA-N 415.586 1.351 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC)C1 1690190343 RUSUVVNTCMENNE-FRQCXROJSA-N 408.572 1.222 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(C(=O)NC)C1 1690236208 JQVMLABIAOOAGJ-QYWGDWMGSA-N 418.542 1.360 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NC)CC1 1690244573 ZEZYXBYNOMSNDC-WMZOPIPTSA-N 413.526 1.622 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1690311816 VAGHNDLKYISYGT-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1690515291 JSBNALQWVVKXTQ-AWEZNQCLSA-N 408.528 1.741 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1690516774 SKTIHJCCLAYQSO-GOSISDBHSA-N 400.545 1.766 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1oc(CC)nc1C 1690527004 IAOIBVWFFJOFMG-OAHLLOKOSA-N 424.527 1.140 30 10 HDEE C=CCN(C)c1nnc(Cc2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1690530614 RYXNTLHAQKGVKT-UHFFFAOYSA-N 412.519 1.776 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1690726744 KFODWRURIQALKK-HNNXBMFYSA-N 409.556 1.279 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCC1CC1 1694552631 GDLDEHRWKZRBFP-SFHVURJKSA-N 424.505 1.674 30 10 HDEE CN(C)C(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@](F)(C#N)C1 1696588224 AWUUPPNSKPXODI-HNNXBMFYSA-N 410.251 1.566 30 10 HDEE CSCCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1698428851 KUAXOCJHBJBTFO-FWWJWKNHSA-N 420.539 1.845 30 10 HDEE CC(C)C#CC(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC2(CCOCC2)C1 1702748850 NEVHXQRVVNMNDP-SIFVSHMBSA-N 400.519 1.583 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCNC(=O)OC(C)(C)C 1705493274 FVIIJGPLUQPYDJ-HUUCEWRRSA-N 404.515 1.992 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705516430 BERXUDDSKFLFMO-ZWKOTPCHSA-N 414.554 1.375 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1705582543 CVOUDSSZNNYLNO-QGZVFWFLSA-N 422.514 1.303 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)C(=O)NCC 1705600822 NISYNYAZBVLDIZ-UHFFFAOYSA-N 409.538 1.765 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1705612903 SADPFYKCTFNASI-SXBQZSJRSA-N 400.570 1.187 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)C(C)(C)C 1705666676 GSGGNKHFORWBIM-QMTMVMCOSA-N 411.572 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCc1cnn(C)n1 1705669790 WXMDIDMQOKQKIW-RTWAWAEBSA-N 413.526 1.684 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cccnn2)CC1 1705708718 GIBGSUHIZMBJEV-XLIONFOSSA-N 413.526 1.912 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)CN2CCOCC2)CC1 1705776044 VWJMQSSSIOVEPQ-KRWDZBQOSA-N 404.559 1.787 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@H](C)C1 1705819594 PKQKZUBNMBWPEG-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1705875777 FXRDUOCQXURRJO-BEFAXECRSA-N 406.508 1.859 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H](C(=O)OC)C1 1705898805 YETOOJJBYWPVES-CYBMUJFWSA-N 404.858 1.295 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705903285 SAVYFYATKBILCK-PMPSAXMXSA-N 402.499 1.069 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1705906050 QOXPIJBSDHLFTE-MRXNPFEDSA-N 402.543 1.222 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cn3ccc4ccccc43)n2CCOCCCO)CCO1 1712886344 QIIDDCLFRKCLRN-GOSISDBHSA-N 410.478 1.409 30 10 HDEE C#CCOCCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C[C@@H]1C 1719476556 FPNSSGKTKGSPBH-SIFVSHMBSA-N 400.519 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCO1 1722285290 VDQLVFLSEDXQLF-ICSRJNTNSA-N 424.549 1.775 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CC1 1722373606 KTKRXPFALFDQOU-PIIWDFAUSA-N 404.536 1.303 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@](C)(O)c1ccccc1 1722398184 RQAHMFOZPHSVFH-XXBNENTESA-N 405.502 1.990 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1722402401 AAYUCYUTXDHZIQ-UHFFFAOYSA-N 409.494 1.819 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@]2(O)CCO[C@H]2C)n1 1722430175 ZTCRXTIRNDFVEE-HRAATJIYSA-N 414.510 1.178 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1722459445 KHRZRYTVZLMMMP-MAUKXSAKSA-N 407.565 1.677 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@H](C)C1 1729741045 GPKBKPUPAHXDEE-OKILXGFUSA-N 420.564 1.696 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1740623649 YKUZBUNQASWBGZ-CVEARBPZSA-N 405.524 1.212 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC1(O)CCOCC1 1740634680 OIBPGGUEXLTZCU-UHFFFAOYSA-N 408.458 1.678 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1740665760 OVVRPTOZXAEAJY-YCRPNKLZSA-N 400.479 1.962 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1740795992 KFATXRWAKBQASK-LJQANCHMSA-N 415.542 1.253 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)c2ccco2)CC1 1740825375 NLXDJNZRAYUKNO-BEFAXECRSA-N 406.508 1.837 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1740991381 VPNLQDKNBMXASI-INIZCTEOSA-N 411.572 1.303 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCS(C)(=O)=O 1741797947 DCLFVIAXKRYZSE-ZDUSSCGKSA-N 405.480 1.847 30 10 HDEE C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)N(C)C 1741847415 NOJJJCPHDQIZLT-NQYYFHDYSA-N 407.522 1.923 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1742905991 FRTPMODLAVQOQC-HNNXBMFYSA-N 405.466 1.165 30 10 HDEE CCOCCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1747375975 UBOXJOUAKGTBLV-MRXNPFEDSA-N 400.483 1.453 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1748266366 CAWHIXJWICSWLC-KRWDZBQOSA-N 412.494 1.728 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCCNS(C)(=O)=O 1748658972 ZLNFLFPXYPIWPE-HNNXBMFYSA-N 412.519 1.891 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(=O)N(C)C)c1 1748666398 ABMUKFHSPSXKTC-CRAIPNDOSA-N 424.505 1.202 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2CCS(C)(=O)=O)c1 1748695184 ZMZQMRIZXIQHDS-UHFFFAOYSA-N 417.535 1.577 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1748745361 PSKPUJGKQHRJEF-UHFFFAOYSA-N 402.524 1.580 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@@H](C)C1 1748847297 RADOBFBVBBZBMC-OKZBNKHCSA-N 404.536 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1748851715 KSFDBHSTZVJWBC-UHFFFAOYSA-N 414.473 1.102 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCC[C@H]1C 1748951124 SVRAFNNLLWWHQO-QMMLZNLJSA-N 406.527 1.567 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1748989291 KKXSSMQIAKCNIX-MJGOQNOKSA-N 414.579 1.902 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749032629 NVEIDPJMJFDZHX-UHFFFAOYSA-N 407.503 1.837 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749269319 PUSCJMXKKMEPPT-QWHCGFSZSA-N 417.919 1.210 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1749341756 NYTORWYKAVUBCC-JKSUJKDBSA-N 407.540 1.599 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2CCN2CCN(C(C)=O)CC2)C1 1749718463 VZMFSEIJIWLTNN-IBGZPJMESA-N 402.543 1.176 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)C1 1749932561 DUFFEZXSGFQVAE-LYLBAIIYSA-N 424.505 1.462 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)c2ccccc2)CC1 1760257645 CLKUJLKJEJXYKH-HXUWFJFHSA-N 405.506 1.822 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1760352088 ODPVXXLNVFIPSO-QUCCMNQESA-N 418.586 1.983 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 1760527487 YMBYMTTUJFSMTL-UHFFFAOYSA-N 410.522 1.424 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1760695914 BTOZZPFRKOKATD-ZWKOTPCHSA-N 422.537 1.833 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3cccnc3)n2CCCNS(C)(=O)=O)CC1 1761547280 ZBOXJUWOWSPAPZ-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CC1(C)CCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1761553278 HWSKSWUZURGOEY-UXHICEINSA-N 404.490 1.784 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1763272475 AAHBWOMLBKZUQG-RYGJVYDSSA-N 402.499 1.070 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](F)(C#N)C1 1769365854 GUTIINSZNNBJAE-MRXNPFEDSA-N 412.878 1.590 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1769516227 HNONLTGPSZNJOI-UHFFFAOYSA-N 406.512 1.227 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H]1F 1771496612 FHRUAEPZGYZCSQ-PBHICJAKSA-N 411.445 1.600 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCc1ccc(Cl)cc1 1772566350 BPGAKAJZHWNDEV-MRXNPFEDSA-N 416.913 1.864 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(Cn3ccn4nc5c(c4c3=O)CCCC5)cc2)CCO1 1848548165 QBNHKJOPULGMHV-GOSISDBHSA-N 417.469 1.788 30 10 HDEE N#Cc1c[nH]c(=NC(=O)[C@@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c2ncccc12 1850125290 PVBAOWAZWSBDDQ-CYBMUJFWSA-N 415.409 1.686 30 10 HDEE Cc1cnc2n(c1=O)[C@@H](CC(=O)NCC#CCN1CCc3ccccc3C1)CS2 1850166689 NSHCOFHDPAHBFK-IBGZPJMESA-N 408.527 1.767 30 10 HDEE CC(C)[C@H](C(=O)Nc1ncc(Br)cc1C#N)N1CCS(=O)(=O)CC1 1851268631 NONFFXXMSXFBCJ-CYBMUJFWSA-N 415.313 1.409 30 10 HDEE C[C@@H](C(=O)N1CCN(CCC#N)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1851700313 VZKLXOVENSZAKS-LBPRGKRZSA-N 404.414 1.320 30 10 HDEE CCOC(=O)N1CCC[C@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851772125 GFDVTZSBMISPNH-KRWDZBQOSA-N 401.467 1.239 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)CC2)cc1 1852682872 SCPPFQYFWOGNKJ-UHFFFAOYSA-N 402.520 1.411 30 10 HDEE O=C(c1ccnc(O[C@H]2CCOC2)c1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853020838 ZQOLQMFPIMBPAA-NSHDSACASA-N 407.370 1.733 30 10 HDEE N#C[C@@H]1CC(=O)N(C(=O)CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 1853324064 WYJYOTCHEPWHRV-NSHDSACASA-N 415.803 1.774 30 10 HDEE CCOCCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1cccn1C 1853595086 UDPJYFAMWWLQSG-UHFFFAOYSA-N 406.464 1.213 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C(=O)C1 1853947495 RBFJDIVHANETIB-ZDUSSCGKSA-N 411.430 1.743 30 10 HDEE N#Cc1ccc(CN2CC(=O)N(C(=O)CN3CCCS3(=O)=O)c3ccccc32)cc1 1854045229 YLZKFVDGKPANIH-UHFFFAOYSA-N 424.482 1.474 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCN([C@@H](C)CCC#N)C2(CCCC2)C1=O 1854450981 UHHBSQKTTXVNSA-HNNXBMFYSA-N 400.479 1.683 30 10 HDEE C[C@H]1CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855421621 WVBASJKQHIODEA-QFBILLFUSA-N 417.531 1.517 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CCN1Cc1ccc(C#N)cc1 1855592524 HCGWKWHFZICJCF-YJBOKZPZSA-N 408.462 1.059 30 10 HDEE COCc1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)n(C)c1 1855897100 FWUQBQUZDKXEOH-MRXNPFEDSA-N 410.474 1.795 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2nccc(N3CCOCC3)n2)C(=O)C1(C)C 1856745483 DPALWDJCIOHVJS-OAHLLOKOSA-N 400.483 1.068 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC(CC#N)CC3)C2=O)CC1 1857241090 DNRVYPFFWGRMIB-GOSISDBHSA-N 404.511 1.998 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)c1 1857307776 UJKZYPGTBNYJJX-GOSISDBHSA-N 402.445 1.962 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CC(F)(F)OC(F)(F)C3)CCC2=O)CC1=O 1857349764 LOCQOYAYPWFCGY-QWHCGFSZSA-N 421.391 1.304 30 10 HDEE COc1cc(OC)cc(-n2nnc(C#N)c2NC(=O)CNC(=O)c2ccccc2)c1 1870152350 NPSFFHAAISYVIZ-UHFFFAOYSA-N 406.402 1.525 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC(C)C)cn1CCNC(C)=O 1870482725 VLQWSFGYNNLELQ-UHFFFAOYSA-N 405.495 1.489 30 10 HDEE NC(=O)CSc1nnc(COCc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1874353375 GTICIQJBWFAOIT-ZVBGSRNCSA-N 413.459 1.866 30 10 HDEE CC1(C)OB(c2cnc(N3CCO[C@H]4COC[C@@H]43)c(Br)c2)OC1(C)C 1877611481 HTPVODMNZAOWTF-KBPBESRZSA-N 411.105 1.747 30 10 HDEE CC1(C#N)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2046022900 NRIMLMQUFBTUCS-LJQANCHMSA-N 407.467 1.966 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1COCCN(C(=O)OCc2ccccc2)C1 2054405129 YRDGFKJPXXIZNG-QZTJIDSGSA-N 409.508 1.739 30 10 HDEE C=CCNC(=O)[C@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074692818 UIYOIXPKOFVGCX-SNARRRGMSA-N 410.492 1.584 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)C1 2118165524 BSTKQSJPRFWPGS-KSZLIROESA-N 422.507 1.140 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2118166081 BYEGEZAZXXSGKT-VWLOTQADSA-N 400.482 1.359 30 10 HDEE C=C(CN(C)S(=O)(=O)c1nnc(NC(C)=O)s1)B1OC(C)(C)C(C)(C)O1 2148859541 LTWWZGBZVHDJQB-UHFFFAOYSA-N 402.307 1.305 30 10 HDEE CC1(C)OB(c2cnc(N3CCSC[C@H]3S(C)(=O)=O)c(Cl)c2)OC1(C)C 2172716383 XODJLICMEPDDBU-CYBMUJFWSA-N 418.777 1.958 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CCNS(=O)(=O)N1CCC(C#N)CC1 2174787774 XWABRPFXKZCZPD-HOCLYGCPSA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)[C@H]1CSCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2180137586 NGPYCDLLGKGQAP-HUUCEWRRSA-N 416.565 1.235 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 2197772017 BKVLMXWAUYZIRZ-ZDUSSCGKSA-N 417.553 1.268 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(c2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247680052 QMYYQIDOVMJCEP-LSDHHAIUSA-N 419.331 1.845 30 10 HDEE C#CC[C@H]1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258143603 SKGGKNFRWDJMPF-RDJZCZTQSA-N 408.476 1.129 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCS1 2267473370 DVSQFQXAAGEANJ-NSHDSACASA-N 404.388 1.709 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)C[C@@H]3CO)c2Cl)OC1(C)C 2281936268 LCAHAKPZZVFOEM-MNOVXSKESA-N 401.721 1.659 30 10 HDEE Cc1cc(S(=O)(=O)N2CCNCC2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282311319 GZDDAUASOQWXLE-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)(C)CC(N)=O 2282315798 SOTKBWSCEWAJDE-UHFFFAOYSA-N 402.347 1.288 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCN(C)CC1 2282320563 KHCSVYHQHSKQLP-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CCCN(C)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325268 BYHAIGKLSHPUGU-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](F)C[C@@H]1CN 2282325477 FSCVCFNBBAPNID-VXGBXAGGSA-N 404.338 1.416 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282349303 WTWKZLUXPREUHZ-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CN([C@@H]1CCC[C@H]1CN)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420835 FSCGBKDNKVIYPT-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282501459 XJMWUXXCJQATEW-CYBMUJFWSA-N 400.375 1.513 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282624697 NNUMYUOAQRTOFI-MNOVXSKESA-N 400.331 1.138 30 10 HDEE C[C@H](O)CN(C[C@@H](C)O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282662940 INQZEOZZZWHEIG-PHIMTYICSA-N 403.737 1.905 30 10 HDEE CC[C@H]1C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282841842 QGNNFEMMVLHURH-NEPJUHHUSA-N 402.347 1.429 30 10 HDEE C[C@@H](F)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284415617 YPJZJTOSHRMCEE-MWLCHTKSSA-N 407.294 1.278 30 10 HDEE CN(CCc1ccccn1)S(=O)(=O)CCNC=C1C(=O)Oc2ccccc2C1=O 2297633384 RXDHYDVQEHXWHK-UHFFFAOYSA-N 415.471 1.161 30 10 HDEE C[C@@H]1C[C@@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365245084 XPCZXBNYWCQMFH-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CCCN(CCC)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2366914200 NMUOMYBVPQYZIB-UHFFFAOYSA-N 403.379 1.899 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367794562 IFNRCGLKPJNMJL-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](C[C@@H]1CCCO1)NC(=O)OC(C)(C)C 2367795405 DSTPVUAIHUVCIP-XHSDSOJGSA-N 400.541 1.617 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367811723 LEVFWWGDBNYUQI-HRCADAONSA-N 402.557 1.599 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C(C)(C)CNC(=O)OC(C)(C)C 2367830786 LVDAIKVRCHZVBS-GJZGRUSLSA-N 402.557 1.457 30 10 HDEE CO[C@H](C#C[C@H](O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1CCCC1 2369532703 HKSUJTSXMOVMPN-YESZJQIVSA-N 403.541 1.884 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)[C@H](CC)n2c(N)nnc2SCC#N)n1 40173469 NRGPSBOEABHBCK-JTQLQIEISA-N 409.497 1.628 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)c(=O)[nH]2)cc1 71528403 XDVSGPVTRVUJRB-UHFFFAOYSA-N 401.404 1.478 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCC4)C1 219935878 XDIFOIUIFZTMQH-QWHCGFSZSA-N 424.486 1.110 30 10 HDEE Cc1cc(Br)cc2c1CN(S(=O)(=O)N1CCO[C@H](C#N)C1)CC2 409492098 TWTMRBCCCGWXHO-CQSZACIVSA-N 400.298 1.585 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(CCO)[C@H](C)C2)nnc1-c1ccco1 428523770 HAVSXLPDSJDBPS-OAHLLOKOSA-N 405.524 1.731 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCC(C)(C)[C@H]2C#N)CC1 434433521 SFWFFHGNHDKUJG-MRXNPFEDSA-N 407.540 1.968 30 10 HDEE COc1cc(N2CCN(C(=O)CCCOc3ccc(C#N)cc3OC)CC2)ncn1 461202981 LLXWWJVYZKFESF-UHFFFAOYSA-N 411.462 1.873 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 463313268 VWDKGOOCRPJPFD-OAQYLSRUSA-N 422.485 1.706 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 465469575 KWBVRNLAYPXSFG-YJBOKZPZSA-N 424.530 1.681 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CCN(c3ccccc3C(F)(F)F)C2=O)CC1 473208650 NHVZZPDZRMFKGR-QGZVFWFLSA-N 410.440 1.731 30 10 HDEE Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)C(=O)N1CC[C@H](NC(N)=O)C1 476631496 HRXARZPGFPJXNG-HNNXBMFYSA-N 407.430 1.867 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cnc(N(C)C)nc2)cc1 483596565 XXOANOOTYGIHJD-ZDUSSCGKSA-N 402.480 1.892 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 503618631 MCZJDJMRZIROMT-CJNGLKHVSA-N 408.418 1.709 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1 504038735 OWSLMOSZOPSIRR-UHFFFAOYSA-N 412.534 1.756 30 10 HDEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CN 504543742 XEXJOPLDBYLHLY-ZVOJYPBASA-N 419.518 1.291 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)C3CC3)CC2)o1 505971461 PKBVIGKVQOHECI-CQSZACIVSA-N 409.464 1.275 30 10 HDEE C=CCN(CC=C)C(=O)CN1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 506581113 XFBNPAXVYWNKFB-LJQANCHMSA-N 414.554 1.042 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)cc1 508033940 XADMXGGMZXOKKR-SFHVURJKSA-N 418.432 1.817 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 509009536 CVEMRBFVNWFHIJ-UHFFFAOYSA-N 409.469 1.614 30 10 HDEE CN(C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)C1)S(C)(=O)=O 509170905 SWUXZWPFLUCNLU-LBPRGKRZSA-N 405.929 1.504 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 512365998 GNZKJLXNHCHJHM-GOSISDBHSA-N 416.497 1.124 30 10 HDEE Cc1cc(C(=O)O)ccc1N1C(=O)C[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 516382474 YSVBSKGMHNMWER-GOSISDBHSA-N 419.441 1.414 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 525388980 WJDJSPHXXUPKTC-UHFFFAOYSA-N 404.536 1.432 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2c2c(C)nn(C)c2C)c1 537919954 ZSXDPNHRDJDEEQ-GOSISDBHSA-N 418.519 1.715 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCCN(Cc2cnn(C)c2)CC1 569857437 JGPRZLAZBPEQMH-QGZVFWFLSA-N 403.531 1.634 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](OCC)[C@H]2n2cccn2)cc1 573132106 IRTMBBAEWQUIDU-KURKYZTESA-N 404.492 1.496 30 10 HDEE C[C@@H]1CO[C@@H](C(F)(F)F)CN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 587425477 MBMLHWGNPXXPHV-KCPJHIHWSA-N 424.379 1.941 30 10 HDEE N#CCN1CCC(Nc2nc(NC3CCN(CC#N)CC3)c([N+](=O)[O-])s2)CC1 609802163 BDNWUINRIRFOED-UHFFFAOYSA-N 404.500 1.851 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@H]3C(F)(F)F)C2=O)cc1 610047415 FBZXUKCNDIIJEW-KGLIPLIRSA-N 410.352 1.553 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 619105796 MDEAGIBXIKAIEK-VFNWGFHPSA-N 410.478 1.103 30 10 HDEE Cc1cccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1C#N 619839108 NOKWQCLKWSAAAV-INIZCTEOSA-N 406.442 1.601 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 670199395 ZNERIDSHUSEYSG-KRWDZBQOSA-N 407.482 1.602 30 10 HDEE C#CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 728570458 CRSXYAAUZXXWCI-LJQANCHMSA-N 422.533 1.183 30 10 HDEE C#CCN(C(=O)CCCCCNC(=O)NC1CCCCC1)[C@H]1CCS(=O)(=O)C1 734426588 PUSBFQSHCRVIRR-SFHVURJKSA-N 411.568 1.828 30 10 HDEE Cn1c(=O)c2cc(C(=O)OCc3cc(Cl)ccc3OCC#N)n(C)c2n(C)c1=O 735345743 RMAIAEXUEMDCLV-UHFFFAOYSA-N 416.821 1.488 30 10 HDEE CCc1c(Cl)nc(CS(C)(=O)=O)nc1N1CCN(c2ncccc2C#N)CC1 746429492 KISVCYQDVKRENZ-UHFFFAOYSA-N 420.926 1.830 30 10 HDEE CCS(=O)(=O)c1ccc(CCC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 757387062 MJAMOSFTUFQKCZ-UHFFFAOYSA-N 420.512 1.931 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 758664804 XNKUWDOLHVZMIV-QGZVFWFLSA-N 418.925 1.135 30 10 HDEE C#CCNC(=O)c1cccc(-c2noc(Cn3c(O)nc4ccccc4c3=O)n2)c1 761799527 KKHPIBFCOBKMHC-UHFFFAOYSA-N 401.382 1.563 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1Cc1ccon1 765145835 OPEUFVHRJASVAL-UHFFFAOYSA-N 404.451 1.762 30 10 HDEE COc1cccc(COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1OC 766283856 XYECZGPWYLTBGG-CYBMUJFWSA-N 404.444 1.986 30 10 HDEE C#CCN(C(=O)Nc1ccc(CCN2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774028493 KDWRLYJMFDHONU-IBGZPJMESA-N 405.520 1.216 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)[C@H]1CCS(=O)(=O)C1 776068792 IVQSQYDVYPFBDL-KRWDZBQOSA-N 406.504 1.974 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)OCC(=O)NC2(C#N)CCC2)CCCC1 786292751 FPGVVESCIUOOAO-UHFFFAOYSA-N 401.467 1.185 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCN2CCN(c3ccccc3)CC2)cc1C#N 788009724 FAMWBFYMZKSFNS-UHFFFAOYSA-N 421.501 1.121 30 10 HDEE COc1cc(Cl)c(S(=O)(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 790365274 BSAVNKGABKSPQJ-NXVVXOECSA-N 415.855 1.162 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)cc1F 795518719 LJFTYXLRIUCHLB-UHFFFAOYSA-N 416.430 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)CC2(C(=O)OC)CCCCC2)n1 813698753 AHXKODRCGOKPNB-UHFFFAOYSA-N 411.524 1.418 30 10 HDEE Cc1ccn2ncc(C(=O)NS(=O)(=O)c3ccc(Br)c(C#N)c3)c2n1 821618474 IKBRCHWWKQKQAG-UHFFFAOYSA-N 420.248 1.791 30 10 HDEE N#Cc1ccc(CNc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)c(F)c1 863993088 KYIDZUJHUNUPFF-MRXNPFEDSA-N 423.491 1.775 30 10 HDEE C#CCN(C(=O)c1cc(=O)c(OCc2ccc(F)cc2)co1)[C@@H]1CCS(=O)(=O)C1 1125884784 ZHPNAMSQYWTDBX-MRXNPFEDSA-N 419.430 1.620 30 10 HDEE C[C@H](C(=O)NCc1ccc(C#N)c(F)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1129735626 QWNRWFGNZWYLRS-CYBMUJFWSA-N 404.442 1.781 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(=O)NCc3ccco3)C2)C1 1136284882 GOUWZNOSQHDYMR-FAGJFJLWSA-N 416.478 1.799 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)cc1B1OC(C)(C)C(C)(C)O1 1137883555 MRTUKGJNUKSHMI-QGZVFWFLSA-N 417.311 1.946 30 10 HDEE N#Cc1cccc(C2(NC(=O)CNS(=O)(=O)c3cccs3)CCOCC2)c1 1147811564 UXUHHEDQNKDKGO-UHFFFAOYSA-N 405.501 1.720 30 10 HDEE N#Cc1cn(CCNC(=O)C(F)(F)c2cccc(Br)c2)c(=O)nc1O 1148392771 HXGWYWBXPIPJKF-UHFFFAOYSA-N 413.178 1.491 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC(=C)Cl)C(=O)OCC)c1 1151573411 FKVZIBIMRJXRSD-OAHLLOKOSA-N 400.884 1.955 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C)c3ncccc3C2)s1 1152851717 SOCFMFDGBBHPSX-UHFFFAOYSA-N 406.533 1.629 30 10 HDEE N#C[C@@]12CN(C(=O)c3nn(-c4ccc(Cl)cc4)cc3O)C[C@H]1CS(=O)(=O)C2 1156670369 RQKGFFNEMMGIHN-GTNSWQLSSA-N 406.851 1.242 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 1162947891 CEVAYKDZQBHWTQ-LLVKDONJSA-N 423.397 1.863 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 1175514727 GDDLPNORDYGCHN-UHFFFAOYSA-N 406.533 1.381 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)c1 1178597060 AVTMXRZWUPNACJ-QXAKKESOSA-N 424.519 1.186 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccccc2C#N)CC1 1181037333 HKSHBLRMHKEDEM-KRWDZBQOSA-N 416.478 1.663 30 10 HDEE C[C@H](C#N)S(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C 1193129180 VMOBVOQBZRQSHF-CYBMUJFWSA-N 420.532 1.580 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)c(C#N)cn1CC 1219176075 BHEIWYRABVDSDY-AWEZNQCLSA-N 410.496 1.987 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(=O)(=O)NC)cc1 1221305234 LXRTUSDCXWYAFH-AWEZNQCLSA-N 409.508 1.642 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1225334027 NLDLHLCNAJLVLE-GOSISDBHSA-N 407.536 1.815 30 10 HDEE COCc1ncc2c(n1)CCN(C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1225938746 SGELHNHTACIRAJ-BBRMVZONSA-N 416.482 1.450 30 10 HDEE CON(C)C(=O)[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1233943788 GHZQMLZRYBRCIZ-GFCCVEGCSA-N 417.445 1.105 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1286302444 MVLZHEGKCSZFPP-INIZCTEOSA-N 408.506 1.609 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1286315299 WEOIAWVVAHWMKD-KRWDZBQOSA-N 409.494 1.834 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286364003 WNSBTAPRNZVQLI-HSZRJFAPSA-N 423.517 1.722 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1c(C)nn(C)c1C)[C@H]1CCS(=O)(=O)C1 1286396156 VPZAKURVYZXXBV-KRWDZBQOSA-N 418.567 1.502 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1286399676 LSGFOBHFGVCEEB-AWEZNQCLSA-N 420.564 1.223 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cc(C)nn1C 1286460152 UZEKPFIOISPNGY-HXUWFJFHSA-N 402.499 1.106 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](CC(C)C)N(C)C 1286517988 XRPZZQWVXIFSTB-MBOZVWFJSA-N 424.615 1.857 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1286607387 OWOZXCQLXRLVCG-OXQOHEQNSA-N 402.499 1.656 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC2(CCC2)C1 1286710586 AQDQEJDXXKFPTG-MRXNPFEDSA-N 410.540 1.532 30 10 HDEE C=CCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1286778073 XPGJUORNEMUTFW-RKVPGOIHSA-N 400.545 1.763 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1289511794 UYJARVMJCKSPBG-HNAYVOBHSA-N 401.492 1.044 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1299752536 VGJSJFKDIKAZBB-HXUWFJFHSA-N 407.482 1.899 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 1300441969 TZEHROUZVQVXRK-IIAWOOMASA-N 405.520 1.967 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1300703701 PVWHSTKAMOHLOL-FQEVSTJZSA-N 413.614 1.259 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCOCCC=C)CC1 1300719967 XTMCYWSQQDRMJY-UHFFFAOYSA-N 409.494 1.294 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1300760856 IJEHQFMQKBZFRD-OAGGEKHMSA-N 405.524 1.473 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301588554 HGLMQOZRQAZHTD-BZSNNMDCSA-N 423.583 1.793 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1301967962 ICPYTJKMECYFCW-OWCLPIDISA-N 415.519 1.952 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)COc2ccc(C#N)c(Br)c2)C[C@H]1CN(C)C 1302407271 LARAFEUZOQACGN-HZPDHXFCSA-N 423.355 1.897 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)[C@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1303432693 SIENBJISGBVPDW-UZLBHIALSA-N 406.531 1.972 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)C1 1303933609 MFMWJGFZELOTKP-YWZLYKJASA-N 411.466 1.269 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1(C)C 1304270780 IOGRXOWXCIDKMZ-SSHHRWTQSA-N 411.524 1.323 30 10 HDEE C#CCN(CC(=O)N(C)Cc1cnn(C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1308075763 PWXYKDMFJRQDFH-UHFFFAOYSA-N 403.527 1.713 30 10 HDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(CCS(=O)(=O)c1cccc(C#N)c1)C2 1308087791 FRYYLLSZCNXAEK-CQSZACIVSA-N 402.476 1.609 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1309870165 KMYYNNICXGIRHB-UHFFFAOYSA-N 406.504 1.796 30 10 HDEE C#CC[C@H](CO)NC(=O)N[C@@H](c1ccc(OC)cc1)c1cccc(S(C)(=O)=O)c1 1312117106 JLCKGQMZRVOVNS-XLIONFOSSA-N 416.499 1.872 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC(O)CC1)[C@@H]1CCOC1 1314683491 MMKLQMSHKSNGED-LJQANCHMSA-N 410.522 1.889 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1CCCCO1 1316296728 CHUYSRDWFLYEIA-MHORFTMASA-N 405.499 1.690 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CCO1 1316538272 JDAOUJXYAPWCQJ-OCCSQVGLSA-N 420.395 1.618 30 10 HDEE CCOC(=O)c1ccn(-c2cccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)c2)n1 1323389890 GXOMXSXQDSYGLT-VXPUYCOJSA-N 423.429 1.904 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@@]4(CCCOC4)C3)C2=O)cc1 1326990875 AYRKSTLWUWODCM-UTKZUKDTSA-N 412.446 1.171 30 10 HDEE COCCOc1cc(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nc2ccccc12 1354428282 LFFDIQHVUDKOPA-UHFFFAOYSA-N 422.445 1.944 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)C)C1 1358913603 RYOCFAFFSVUVMA-ROUUACIJSA-N 423.583 1.897 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1358930616 ZCAXKYMBYDXMGT-IRXDYDNUSA-N 419.551 1.185 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NC(C)C 1358948121 UQENCYSQHNKLQC-INIZCTEOSA-N 418.542 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1Cc1ccccc1S(=O)(=O)N(C)C 1358979565 QMYQACDQSFHMFJ-UHFFFAOYSA-N 413.547 1.848 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2COCCO2)CC1 1359039416 IIOXQOIBQSRTNY-IPMKNSEASA-N 417.554 1.367 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359048873 CUFJSBORPWQLEW-HOTGVXAUSA-N 413.613 1.924 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359121670 BHJBYSGQNJOMTM-MRXNPFEDSA-N 409.556 1.451 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC=C(Br)C1 1359291145 GPFRWPDXFZXHIE-UHFFFAOYSA-N 411.304 1.207 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1359343367 RNTJRVCTVGEJJI-INIZCTEOSA-N 409.556 1.386 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(S(C)(=O)=O)cc1 1359721602 ADGSJTIBYRHORB-INIZCTEOSA-N 403.508 1.776 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O)C(=O)OCC 1438907116 GRLPQVQUSKFMRI-QRWLVFNGSA-N 405.426 1.607 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1Cl 1440515933 HQIFIFXRQTUVDE-GFCCVEGCSA-N 418.862 1.851 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)C2)nc1 1456060950 KERWDDGXDCRZOF-QAPCUYQASA-N 418.457 1.497 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1457008242 GQHADBLGGDVXDK-QGZVFWFLSA-N 423.535 1.690 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@]2(C)CC2(Br)Br)CC1 1459467306 PDJJSQUUJLSZLK-ZDUSSCGKSA-N 406.118 1.871 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nn1 1461059893 VWGCAERABSAWCC-UHFFFAOYSA-N 403.508 1.959 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@H]2CC(=O)NC2=O)c1 1464290987 RHNLQVCINCFMSZ-UAHGDZPKSA-N 420.491 1.271 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2nnc(C)n2C)CC1 1469681413 IYRLHCTWQHPJKS-UHFFFAOYSA-N 407.478 1.836 30 10 HDEE C[C@H](C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)C1CN(C(=O)OC(C)(C)C)C1 1471032487 GBVMOTGFNMSXHU-LBPRGKRZSA-N 404.471 1.559 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)CC1 1471530038 ZMRSDGRRQQHNET-QHCPKHFHSA-N 409.486 1.752 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1471535116 CJLONAFXWNCFKI-KRWDZBQOSA-N 405.520 1.858 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CCOCCN1C(=O)c2ccccc2C1=O 1473279016 PWNFBUCEYSRVDV-INIZCTEOSA-N 420.473 1.172 30 10 HDEE Cc1csc(CC2(O)CCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)n1 1473632848 IVZPUXGJGBMGKA-UHFFFAOYSA-N 406.533 1.562 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1475486883 BKTDOYCNEQFZRQ-OAHLLOKOSA-N 402.538 1.683 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1C(F)(F)F 1475504034 HNLWOBZQSDFADE-UHFFFAOYSA-N 423.438 1.376 30 10 HDEE Cc1nc(CCn2c(N3CCC(C#N)CC3)nnc2[C@@]2(OC(C)C)CCOC2)n[nH]1 1492691503 CXZJPKXUTOELKA-HXUWFJFHSA-N 414.514 1.728 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC(=O)N1C 1494236966 VUDHYVFTJFYSKX-APWZRJJASA-N 424.505 1.679 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504697784 RAMLDFICMKJUTP-UFOSLELVSA-N 411.466 1.272 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1507621981 DNRCCJYXKMBEMB-SJORKVTESA-N 409.600 1.933 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@@H]1C 1507675839 GGUDNIZYJLJTPA-UFYCRDLUSA-N 415.538 1.186 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc2c1OCO2 1507689464 KMVVJUUCHZZAMV-OAHLLOKOSA-N 402.476 1.417 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(N)=O)c1 1507699196 CZQJVJZQWYXTSJ-OALUTQOASA-N 411.506 1.803 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1507830025 SPKQGUOAGUBTIW-KRWDZBQOSA-N 412.469 1.793 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCCC[C@H](SCC)C1 1508071351 IMEHQPBVTJFSBB-INIZCTEOSA-N 420.583 1.928 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1508164186 ZPHNVJPSQVVEKM-CRAIPNDOSA-N 412.581 1.716 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1508211551 CLOBYNAQHMWACW-HYVNUMGLSA-N 422.555 1.035 30 10 HDEE CC(C)Cc1nnc(N(C)[C@H]2CCSC2)n1CCN/C(O)=C1/N=CC=CC1=O 1509134737 KFTOUJSCCTWJGE-DNZUHHBVSA-N 404.540 1.945 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOC(C)(C)C1 1513923158 GJROCTQIHANZGW-UHFFFAOYSA-N 424.553 1.545 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CC1 1517608981 CXGYQJVNNVLXKK-UHFFFAOYSA-N 406.450 1.623 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1519278085 OQBZXQUKQFEUFZ-MGPUTAFESA-N 418.473 1.500 30 10 HDEE C[C@@H]1[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCN1C(=O)OC(C)(C)C 1523979073 CUIURYULTOWAPV-CHWSQXEVSA-N 404.471 1.702 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCCNC(=O)OCc1ccccc1 1525459043 ANYFEISXTAYIPV-UHFFFAOYSA-N 412.450 1.763 30 10 HDEE COC(=O)C[C@@H]1COCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1527791803 BSKHJXUHFBGRIZ-DZGCQCFKSA-N 405.838 1.355 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1536584236 FAVGDIWMZCDSQB-UHFFFAOYSA-N 404.414 1.952 30 10 HDEE Cc1ccc(C(=O)NCc2nc(C#N)cs2)cc1S(=O)(=O)N1CCOCC1 1536598073 FXKQPOFCGJAZOX-UHFFFAOYSA-N 406.489 1.274 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)cc1C 1538308528 JNLJPXFUJUZSMF-GUXCAODWSA-N 401.488 1.053 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)Nc3cnc(Cl)cc3C#N)cc2S1(=O)=O 1538752454 MBMZJQASUNPPQF-UHFFFAOYSA-N 420.834 1.650 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2ccccc2Cl)n1 1539118495 OIVAULSXWHCJOG-KPZWWZAWSA-N 404.879 1.751 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C)CN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1539218571 AOXNIEDUVLLDQQ-ROUUACIJSA-N 407.584 1.589 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1C[C@H]1C 1539408766 CCHKECKFANQFKU-CVEARBPZSA-N 406.490 1.934 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H](NC(C)=O)c2cccc(Br)c2)C1=O 1539964757 RPVOSRZKHVSQPN-JKSUJKDBSA-N 408.296 1.872 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1540069757 XBZKIGQESUJWTM-NVXWUHKLSA-N 411.510 1.520 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cnc2ccccc21 1540072816 NYUGTSRUPXICLU-HNNXBMFYSA-N 400.508 1.852 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@](C)(CC)C1 1540862215 VONJKOZSZKDMHM-FQEVSTJZSA-N 406.531 1.504 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540864578 FEPSRDJDFLKVGY-SFHVURJKSA-N 421.505 1.432 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC[C@@H]2OC)C1 1540890842 KWVWBQLJXBFADK-NCOADZHNSA-N 405.499 1.062 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cc(C)nn2C)C1 1540896647 QJUVOGKSIIUNMO-WDSOQIARSA-N 416.526 1.874 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC)CC1 1540897171 CHOFTCCJLKVKMG-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE COC(=O)C1(O)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1545841609 PHYHRPGKLANUKG-UHFFFAOYSA-N 422.279 1.283 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(OC)CCOC1 1555628849 LMMDVURLFUDWMF-JXFKEZNVSA-N 407.515 1.938 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2cccc(F)c2)[C@@H]1C)c1cc[nH]n1 1557159145 DROXTLKSSPYJQO-ORAYPTAESA-N 418.425 1.821 30 10 HDEE C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1557600059 HYZHYURPYJNRQE-FLIBITNWSA-N 408.336 1.939 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 1558073417 RSAHFAVREBMWPK-QGZVFWFLSA-N 407.536 1.498 30 10 HDEE CCc1noc([C@H]2CC[C@H](NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 1559039391 VNRXDMJXMSEHSV-KBPBESRZSA-N 403.464 1.234 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2c(C)cc(C)c(NS(C)(=O)=O)c2C)cn1 1561733623 SJXAFSNWTDYGTF-UHFFFAOYSA-N 410.521 1.292 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@@](O)(c3ccc(Br)cc3)C2)n1 1564723809 HWXSRRLTCXPHOE-KRWDZBQOSA-N 419.283 1.605 30 10 HDEE C#CCN(C(=O)NCCc1nnc2c(=O)n(C)ccn12)[C@H]1CCCc2ccccc21 1565363781 YDYZVRSXLDDJIV-SFHVURJKSA-N 404.474 1.693 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@@H]1c1nn[nH]n1 1567808733 BVLQQMOXTHWRFQ-GHMZBOCLSA-N 402.908 1.852 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(F)F 1569441244 KUDFVAXDUFYTHT-QSJBWMMGSA-N 416.425 1.568 30 10 HDEE C[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C(=O)OC(C)(C)C 1570510203 FPDPXDVOHXAGRA-KSSFIOAISA-N 421.519 1.805 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1584877065 ZLLSVPXYIANLHM-KRWDZBQOSA-N 400.479 1.086 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 1585200406 PAQDYALLRMZXHL-KRWDZBQOSA-N 416.526 1.022 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1585444376 AXARWIKQAKGXKY-IBGZPJMESA-N 415.471 1.954 30 10 HDEE N#C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1587501047 OYAPONMFIUDLCX-SFHVURJKSA-N 402.520 1.354 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCOC(C3CC3)(C3CC3)C2)cc1 1588153468 ZOSQSRPFHMHEIA-UHFFFAOYSA-N 403.504 1.910 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1589088842 KNECPDUNMAJAFP-HOTGVXAUSA-N 421.592 1.888 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnn(C)n1 1595127264 KYJNLIQNWKDULO-HNNXBMFYSA-N 411.445 1.133 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(S(=O)(=O)CC)CC1 1595523082 PBQFLDLSTWUOFG-UHFFFAOYSA-N 418.523 1.046 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCCN(CC)C(=O)C1 1595823795 SMWXAAYEKDOLPH-UHFFFAOYSA-N 423.583 1.670 30 10 HDEE CC[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](c1ccc(C)cc1)n1cncn1 1596452080 DUHHPIOBBMJZPS-IEBWSBKVSA-N 421.461 1.295 30 10 HDEE C=CCC1(O)CCN(C(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1596593548 VMGGCCMJHVTFJA-UHFFFAOYSA-N 417.531 1.777 30 10 HDEE C#CCN1CCC(NC(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1596617085 HECBSNQJVUVMTH-OAHLLOKOSA-N 401.511 1.850 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CN(C(=O)OC(C)(C)C)C1 1597057920 KSZUBQDQWFQSEH-QGZVFWFLSA-N 420.554 1.565 30 10 HDEE C#CCN(CC(=O)NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)OC(C)(C)C 1603549637 RGUAKAJSHWXAKV-UHFFFAOYSA-N 415.490 1.646 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(Cc3nnc4n3CCCCC4)cc2)c(=O)nc1O 1611150625 GQOFLFAHTDCKEV-UHFFFAOYSA-N 419.445 1.368 30 10 HDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H](C)CC(N)=O)s1 1613904124 HNCFDPNWRVNPPP-GFCCVEGCSA-N 410.507 1.979 30 10 HDEE CCN(CC1CCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1615545014 QYKQKROAQPTIDY-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE CCn1cnnc1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(C#N)cc1 1615741251 GAIWCQBZSCXJBL-UHFFFAOYSA-N 402.466 1.846 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)[C@@H]1CCCO1 1616964790 VJWKVHYVTWNPMO-GTAWCEEGSA-N 420.531 1.231 30 10 HDEE C=CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1617421608 ZRTOTWZAVSYZHD-CQSZACIVSA-N 400.472 1.510 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1618794262 DDUHXONQHCHYTB-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE COCC[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619801467 CYJHRVKRBJOOLY-UFOSLELVSA-N 400.483 1.545 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[C@@H]2CCOC2)cc1 1620350124 DDOINYGDOWEXDS-QGZVFWFLSA-N 424.505 1.714 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CN(C3CCOCC3)C2)c1 1624893293 UZOGFKHGOKNLIT-ZBJSNUHESA-N 420.535 1.549 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)COc1ccc(C#N)c(Br)c1)C2 1626684616 DHXWKNXIDFZNPF-SCLBCKFNSA-N 423.263 1.738 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3[nH]nc(-c4ccccc4)c3C2)cc1 1628477596 DZYNJHSNSQAHGG-UHFFFAOYSA-N 421.482 1.812 30 10 HDEE CN1CCN(C2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 1632344240 OGCRCRJJNLDBFU-UHFFFAOYSA-N 418.582 1.875 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCO[C@@H](C#N)C3)ccc2NC1=O 1632583955 ZCACGCSUDGNEHE-DOTOQJQBSA-N 414.462 1.829 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCCC)c(OCC)c2)CC1 1632960637 LFHLWHXRCIKQJG-UHFFFAOYSA-N 423.535 1.490 30 10 HDEE C=CCCONC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1634246930 DIOCSCLUSHYOOP-UHFFFAOYSA-N 410.492 1.873 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC 1634251346 NDSDSJCVZQMHBL-LSDHHAIUSA-N 414.462 1.623 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C(C)C)n[nH]1 1637445253 AHFBQOCRONWNSA-AWEZNQCLSA-N 418.523 1.842 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637512646 AHKAPJPLQWXRBC-SECBINFHSA-N 424.383 1.383 30 10 HDEE C#CC[C@H](NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1637696469 FLRFEUNIZIGJAZ-FZMZJTMJSA-N 416.293 1.540 30 10 HDEE C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1638848529 UNLQGXLAKXYKTH-YCRPNKLZSA-N 413.499 1.527 30 10 HDEE C[C@@H](CC(=O)Nc1ccc2c(c1)OCCN2C)/N=C1/NS(=O)(=O)c2ccccc21 1639255914 PQEXINKMOMAEII-ZDUSSCGKSA-N 414.487 1.971 30 10 HDEE C=CC1(CC(=O)N2C[C@H](CO)C[C@@H](OCCOC)C2)CN(C(=O)OC(C)(C)C)C1 1639874207 SCCQKKUTSGJQMM-IAGOWNOFSA-N 412.527 1.672 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccccc1 1641378946 KRRTXMDXSYZHAR-HNNXBMFYSA-N 409.851 1.861 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2csc(COC)n2)s1 1641779016 NITPMABADVXUJZ-UHFFFAOYSA-N 401.535 1.674 30 10 HDEE O=C(NCC(=O)N(O)CCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2[nH]1 1641854538 HDCBXFSFOUFYCV-UHFFFAOYSA-N 420.425 1.802 30 10 HDEE CC(C)C(=O)Nc1ccc(Cl)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1 1641967679 GBXVYUMSWMFWKB-UHFFFAOYSA-N 403.826 1.498 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1CNC(=O)NC 1644192576 JDEYHXORVCAQCW-STQMWFEESA-N 404.895 1.179 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccncc3)[C@@H](C)C2)cc1 1644559020 GRJOUEXCMPMFNN-INIZCTEOSA-N 400.504 1.897 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1645717243 GBIXNGFTNRGWAQ-INIZCTEOSA-N 401.872 1.019 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(F)cc1F 1648467449 GKUVPUVAZJIBCB-INIZCTEOSA-N 414.372 1.128 30 10 HDEE C=CCC[C@H]1CCCN1CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 1648526399 VGXZEYNVCQNBRV-IBGZPJMESA-N 421.563 1.754 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2ccc(Br)cc2)CCO1 1652916272 JRPYEDADIRPZCV-OAHLLOKOSA-N 416.297 1.259 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c2ccccc12 1653703385 HSYYXSJSNPKWFZ-AWEZNQCLSA-N 421.496 1.437 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cc(O)ccc3C[C@H]2C(=O)OC)c1 1660622212 ZLFSXSUCQNOVCR-IBGZPJMESA-N 407.426 1.622 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1F 1667577707 IFELWLJLQVBCCH-ZDUSSCGKSA-N 420.441 1.949 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2cccc(S(=O)(=O)C3CCOCC3)c2)C1=O 1670356369 KTSMANKQZSSCIF-GOSISDBHSA-N 421.519 1.890 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@]1(O)CCOC1 1680024191 BYDVPJXOZGAUAD-UTKZUKDTSA-N 400.479 1.530 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1nn(C)cc1Br 1681261089 QAWFHTWWQGSJOV-LLVKDONJSA-N 419.287 1.265 30 10 HDEE C=C(C)CCNC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1682690210 CQZXSTPFGFHOFO-UHFFFAOYSA-N 409.531 1.953 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 1682964826 YJCKVJCSWIOMDC-UHFFFAOYSA-N 400.479 1.731 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)C1 1687097426 GUFXRHASTHBWHZ-SJORKVTESA-N 406.527 1.552 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C2 1687386565 MGTNPHAJQJMKLH-CVEARBPZSA-N 405.501 1.221 30 10 HDEE C#CCCCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1689941965 YTLUXNUFSJWDOX-KNQAVFIVSA-N 417.554 1.502 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCc1nc(C)no1 1689961299 RZIMRGRJMOQMIA-UHFFFAOYSA-N 418.461 1.586 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@@]1(N2CCOCC2)CCSC1 1689968838 HSWALCRKRGKJCL-NRFANRHFSA-N 412.563 1.541 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689986712 VQLWNFXJPDHOCE-HNAYVOBHSA-N 403.508 1.128 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCN(C(C)C)CC1 1690045071 FUHSHHQSXBEFSE-HXUWFJFHSA-N 413.566 1.870 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2cncn2)nc1 1690047646 WCXDZTATIQQYNY-GOSISDBHSA-N 402.462 1.269 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1690077479 PNQZYQWCYSSIAV-CABCVRRESA-N 401.433 1.505 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1690169721 MJACXYQHNPUJBL-OAHLLOKOSA-N 415.523 1.816 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(OC)c2)n1CCNS(C)(=O)=O 1690196300 GJPSXFIPEWBKQF-LJQANCHMSA-N 403.508 1.495 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690667350 ZYLJQGQMHTUWCE-JKSUJKDBSA-N 419.551 1.814 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCn2cncn2)CCOC1 1692577560 BFUKJDZEFINNDC-PMACEKPBSA-N 414.514 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1705501435 IVGHKUABUQJCAL-OAHLLOKOSA-N 423.477 1.535 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCSCCCO 1705583524 ZZJKBMNTNACIAA-IBGZPJMESA-N 412.515 1.979 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705595371 PSICYHVRTZUMIH-UHFFFAOYSA-N 420.498 1.650 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)Nc1ccc(F)cc1 1705604471 MUSZVGJWRPNSOB-ZDUSSCGKSA-N 422.486 1.126 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(C)C2CC2)CC1 1705633219 MBJCXKBFJZKACJ-INIZCTEOSA-N 422.599 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[C@H](OC)C(F)(F)F)CC1 1705639611 SDCFYBUNYNKIBK-HOTGVXAUSA-N 415.460 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NC(C)C)CC1 1705647995 OSGKOIIGFFNLGA-UHFFFAOYSA-N 400.527 1.426 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC)C1CC1 1705855243 YUXBSFPNWMYQBL-AWEZNQCLSA-N 409.556 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1705903878 XNQKPOMVMQBAFC-KRWDZBQOSA-N 407.478 1.081 30 10 HDEE C=CCSCCn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1705940650 LFKXJGFHYIOKMC-APWZRJJASA-N 406.600 1.885 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1-c1cccc(C#N)c1 1706658062 FYNOYKVQIDHPPV-UHFFFAOYSA-N 414.495 1.622 30 10 HDEE CN(c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCOC1 1711038727 TWBQZBCXZQIENW-YWMAMYRUSA-N 402.499 1.618 30 10 HDEE CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@H](C)CC#N)c1 1711328923 ALWKHOCEYRETCX-OAHLLOKOSA-N 411.510 1.757 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1711386326 GTMFMIIQLDQINN-UHFFFAOYSA-N 409.450 1.572 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2COCCO2)C1 1711614094 UZBJXKNXOYTMEO-GOSISDBHSA-N 413.478 1.759 30 10 HDEE COCCOC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2C(C)(C)C)CCOCC1 1712577655 CCRROFGAMCWHRI-MRXNPFEDSA-N 407.515 1.517 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1712701982 BWOQWHMSRPUMHF-HOTGVXAUSA-N 401.492 1.762 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1OC 1722282102 WNOUSDTVTFJVII-BTYIYWSLSA-N 415.494 1.849 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722319906 TZTZWVDCCGETQG-QGZVFWFLSA-N 413.551 1.993 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1722384068 PLRHPGQZOROWAA-UHFFFAOYSA-N 402.433 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(S(C)(=O)=O)CCC1 1722424573 RIKYIZZCPARERZ-UHFFFAOYSA-N 405.524 1.337 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccccc2OC)CC1 1722450733 PDGQRZYDLYGSEX-UHFFFAOYSA-N 411.506 1.837 30 10 HDEE C#CCSCCn1c(N2CCN(CC(=O)N(CC)CC)CC2)nnc1C(C)(C)C 1722464306 BDLDHHLCMWBEIZ-UHFFFAOYSA-N 420.627 1.932 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1722528766 LCNXGZBJBRSWDD-KFWWJZLASA-N 401.533 1.095 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOC2=O)cs1 1725407998 AXVPKAQHEPGBIS-HNNXBMFYSA-N 417.495 1.205 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N(C)[C@@H](C)CC#N)C1 1728941183 UWFBYASBBLHDCL-FIAFPZFSSA-N 407.515 1.670 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1729160634 BSRYXWSSICJKCB-SJORKVTESA-N 413.434 1.879 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1([S@@](C)=O)CC1 1730723758 HUMQBUBVBFJRGE-MUUNZHRXSA-N 403.508 1.722 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2cnn(C)c2)CC1 1740581340 VORHBRFJJRRNQK-OAHLLOKOSA-N 419.555 1.419 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1740606380 AXDVKPNXKRQMNX-IBGZPJMESA-N 418.549 1.959 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)C(C)C 1740640381 MBAIYPQDBGBMQN-LJQANCHMSA-N 407.474 1.636 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CCC(=O)N1CCOCC1 1740643189 HWXLLNFLFFDVEB-UHFFFAOYSA-N 421.501 1.221 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740644213 XAFAMSDKYHEMPW-GOSISDBHSA-N 412.515 1.673 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1740671201 AZDYWAIYSATOHI-KRWDZBQOSA-N 415.519 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccccc1C 1740678519 NMMLZGSIAYFGHA-UHFFFAOYSA-N 411.506 1.988 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(N(C)C)nc2)CC1 1740693768 LTKLAYBFWJRYQU-UHFFFAOYSA-N 404.522 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@](C)(O)C2CC2)CC1 1740706356 WHURWQVGCIRFCM-QFIPXVFZSA-N 401.555 1.994 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1740875680 HWLUWINYDSARNZ-DLBZAZTESA-N 409.556 1.753 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@@H]1C 1740904110 YGAXFUWCXOJNRC-HNNXBMFYSA-N 404.540 1.613 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740959636 BHJSZBNMKMYZPU-OAHLLOKOSA-N 403.531 1.209 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)C[C@H]1CCCO1 1740989522 PMPAESGRYVKHHS-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740999725 DQKMPTMBHBFEDR-INIZCTEOSA-N 416.555 1.638 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1)N(C)C 1741839300 FBASCRBAJAYMFQ-KRWDZBQOSA-N 417.521 1.883 30 10 HDEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1746409448 DSTMSRKJEGBVPY-UYAOXDASSA-N 421.505 1.942 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)N(C)CC 1748637473 AJCNRYKPBQNGDN-CQSZACIVSA-N 416.913 1.798 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1occc1C 1748638481 QBUWFOYWYOEVAT-OAHLLOKOSA-N 400.483 1.596 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1748709956 BWSQHEZHTAYLAG-DYESRHJHSA-N 400.527 1.334 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1748724335 AGUMCCFCBAVTBA-SFHVURJKSA-N 400.527 1.557 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1748790632 KCDINIMLRUQVFO-INIZCTEOSA-N 404.540 1.459 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(NC(C)=O)cc1 1748874684 CDLHNCRQCBACJN-UHFFFAOYSA-N 418.501 1.984 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC(OCC(N)=O)CC1 1749039887 DUZLIJCOSOPZPY-UHFFFAOYSA-N 414.535 1.101 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1749040435 WYVVIYJGDUDUHR-MRXNPFEDSA-N 405.549 1.254 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1749210322 HLDCBCDLJZNDSV-CVEARBPZSA-N 404.515 1.256 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1749426786 HMBVMJCWIKRLPX-SQGPQFPESA-N 424.567 1.921 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1 1749579472 RGFICFJMWGGNJA-UHFFFAOYSA-N 402.524 1.671 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(Cn2cccn2)CC1 1749670442 RJZTVBBMQZQCCA-SFHVURJKSA-N 413.526 1.935 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CCC(C)(C)O 1752277332 CKJWHRLBIBNGQE-OAHLLOKOSA-N 412.494 1.557 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)Cc1ccccc1 1760154435 FANQTYPSNFPCAA-GOSISDBHSA-N 402.520 1.593 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)Oc2ccccc2C)CC1 1760259780 GZCRVLXLEGFCJI-RBUKOAKNSA-N 422.533 1.760 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c(CC)noc1C 1760465043 VJGHZBNVBKONOF-INIZCTEOSA-N 424.527 1.140 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 1760509911 SRLBTNIMKUOBCT-HXUWFJFHSA-N 423.565 1.669 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760527052 LYTZKKIXQYRWCP-ZWKOTPCHSA-N 412.542 1.115 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCOC2)n1CCC(=O)N1CCOCC1 1768633196 DGVGBQAJLMHXGN-IBGZPJMESA-N 424.505 1.539 30 10 HDEE CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789895 GZKLANJELXCMQM-KRWDZBQOSA-N 407.382 1.939 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCC(c4ncccc4C#N)CC3)C2)cc1=O 1849611844 XIICGTBTWRKTRV-GOSISDBHSA-N 406.490 1.670 30 10 HDEE COCCN1C[C@@H](C(=O)N(C(=S)N=CN(C)C)c2ccc(OC)cc2)CC1=O 1852483791 BXRKRGQBIQHAMZ-AWEZNQCLSA-N 406.508 1.398 30 10 HDEE O=C(NCC#Cc1cccnc1)[C@@H](CC1CCCCC1)N1CCS(=O)(=O)CC1 1852937732 OVZVSSGJMFYCNK-HXUWFJFHSA-N 403.548 1.619 30 10 HDEE COc1ccccc1-n1nnc(C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)c1C 1852972986 BKIZACWRUODVSU-OAHLLOKOSA-N 406.402 1.828 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2nc(C)cc(S(=O)(=O)c3ccc(C)cc3)n2)CC1=O 1853223699 BWFJMBARBNTJFT-HNNXBMFYSA-N 414.487 1.899 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](F)C2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638195 IUNPDTOCQNJIBV-SUMWQHHRSA-N 407.467 1.835 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1C(=O)CN(CCCC#N)c2ccccc21 1854824067 XNIMPEZAWLESAE-QGZVFWFLSA-N 404.492 1.484 30 10 HDEE COc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1C 1855016787 GPOBJPUEEGXSOE-QGZVFWFLSA-N 416.455 1.966 30 10 HDEE N#Cc1cccc(C(=O)O[C@@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)c1 1855228947 IREAQGIHYMUZNE-SFHVURJKSA-N 402.428 1.740 30 10 HDEE COc1cc2c(cc1OC)CN([C@@H]1CCN(C(=O)c3ccnc(C#N)c3)C1=O)CC2 1855440326 RSGIMQOYQQEXJK-GOSISDBHSA-N 406.442 1.770 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2ccc(N3CCOCC3)nn2)C1 1855463003 CIXVXYBNENDYLJ-MSOLQXFVSA-N 413.522 1.733 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1855555403 NPHBLDSJQLVKHD-LJQANCHMSA-N 412.490 1.931 30 10 HDEE C=C1CCCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccnn2C)CC1 1855607775 SIRRYOYEKNSBLO-UHFFFAOYSA-N 414.487 1.880 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)cc1 1855860640 UTTHRULYFADWFV-GOSISDBHSA-N 417.531 1.633 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1=O 1856035032 GFAWMUXRXWULTI-INIZCTEOSA-N 421.519 1.095 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C2CCN(CCC#N)CC2)CC1=O 1856160984 UXHVIPTXNLGJNZ-INIZCTEOSA-N 403.504 1.704 30 10 HDEE CN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4ccc(C#N)s4)CC3)CC2=O)CC1=O 1856901724 HBDYMDXFGMRDLT-HOTGVXAUSA-N 414.531 1.685 30 10 HDEE COc1cccc(CC(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1857120588 YQRXCDWUHUOXTO-IBGZPJMESA-N 406.442 1.395 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)C2=O)CC1 1857253278 UMKODOBQVJDRJL-FQEVSTJZSA-N 404.470 1.873 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CN(CCn3cc(C)cn3)c3ccccc32)CC1=O 1857264363 GKQSVFSFLUAOPZ-KRWDZBQOSA-N 407.474 1.606 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1857309745 KYEDJAFRGAJVKS-DLBZAZTESA-N 404.511 1.997 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccc(F)cc2)C1 1858334835 JVPRRXMLTLGQJN-HNNXBMFYSA-N 409.464 1.439 30 10 HDEE COc1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1870098311 YAWSNXRKFPTQTQ-UHFFFAOYSA-N 400.376 1.857 30 10 HDEE C#CCOc1cn(CCCCN(CC)CC)c(CN2CCN(CCO)CC2)cc1=O 1870563988 WVZJHQHNLHAFGH-UHFFFAOYSA-N 418.582 1.092 30 10 HDEE C=CCOc1cn(CCN(C)C)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1870812864 MFMJGBRCVNJDPC-UHFFFAOYSA-N 406.508 1.234 30 10 HDEE CC(C)CNC(=O)Cc1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872649523 CFQNQSMHONKVQC-UHFFFAOYSA-N 403.464 1.824 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)CC1=O 1872918113 SRVPCJHDWKVCIE-OAHLLOKOSA-N 400.435 1.806 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2cccc([N+](=O)[O-])c2)CC1=O 1874341762 ROGQFXRUKYHPJL-FVOVHSBVSA-N 418.479 1.877 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1925825526 UZJYTLCNYQJNGH-CABCVRRESA-N 403.545 1.852 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 1982305543 WLRUKBPGAZDAOQ-LBPRGKRZSA-N 412.350 1.366 30 10 HDEE N#C[C@H]1CN(c2ncnc(I)c2N)CCN1Cc1ccccc1 1983728226 GGOQRYVIXAQGKD-ZDUSSCGKSA-N 420.258 1.878 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 1984869691 PAIIVKFSKGLSAZ-QZTJIDSGSA-N 417.506 1.995 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 2162444629 KEDVYKCDSJCLNF-CYBMUJFWSA-N 403.501 1.183 30 10 HDEE Cn1nc(CNC(=O)C2(C#N)CCOCC2)c(I)c1Cl 2174388468 OZOQEUBNOYLOFZ-UHFFFAOYSA-N 408.627 1.615 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2174779032 DVTGVGOSWSUZHY-DTWKUNHWSA-N 409.352 1.940 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174784046 JSEFYFACRHGYOK-LSDHHAIUSA-N 401.529 1.729 30 10 HDEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCOCC1 2174788954 KZPJSZUWGSXXFX-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)[C@@H](C)C#N 2174789254 OMWGVJFDUNCMPQ-BFHYXJOUSA-N 403.501 1.397 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(=O)N2CCC[C@@H](C=O)C2)S(=O)(=O)C(C)(C)C1 2197734121 IJRGUAATSLDDJV-KGLIPLIRSA-N 402.513 1.237 30 10 HDEE Cc1cnc(NC[C@@H](CO)NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212758650 OBISCZCOORSHGA-AWEZNQCLSA-N 407.320 1.987 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N(OCc3ccccc3)C3CNC3)nc2)OC1(C)C 2247858287 MOWKYNBDVKODKO-UHFFFAOYSA-N 409.295 1.927 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@]34C[C@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2247915788 JNWRCOLNXFGULG-KSFYIVLOSA-N 408.311 1.713 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H]2CCCC23OCCO3)OC1(C)C 2267380145 ZJZLZXWRXGHSPL-MRXNPFEDSA-N 409.313 1.560 30 10 HDEE CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281972517 NNNDTCMYKYIMSI-WDEREUQCSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N2CC3(CCC4(CC3)OCCO4)C2)OC1(C)C 2281989423 ZIUBRVDGFGDDLN-UHFFFAOYSA-N 403.288 1.468 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316071 XJISQJUZNDKASU-CYBMUJFWSA-N 401.359 1.961 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CNC[C@@H]1C 2282316512 DKYNMAAAIOKQGS-AAEUAGOBSA-N 400.375 1.490 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCCC[C@H](N)C2)OC1(C)C 2282342261 FFVBBUIOWVTXJI-ZDUSSCGKSA-N 400.375 1.939 30 10 HDEE Cc1nc(S(=O)(=O)N2CCS[C@@H](C)C2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282499391 CMXBDTJIUODNJN-NSHDSACASA-N 401.363 1.154 30 10 HDEE C[C@H](O)[C@@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502150 HFIACSYVUVWRQO-AAEUAGOBSA-N 402.347 1.117 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCCCC(N)=O)OC1(C)C 2282504941 WKXMEVMYKGWOPY-UHFFFAOYSA-N 402.709 1.183 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282525127 IVBNCAKEGFFTEH-GHMZBOCLSA-N 402.347 1.336 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1nncs1 2282831963 HHXOPRZDVRWUBL-VIFPVBQESA-N 416.359 1.474 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282836615 MHOXATYTYPIZRT-BXUZGUMPSA-N 400.737 1.607 30 10 HDEE C[C@H]1CCS[C@H]1CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282854906 XHOAGBDZHXCLRT-AAEUAGOBSA-N 401.363 1.139 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@](C)(=O)CCCCN)OC1(C)C 2282865841 ZJIFJEIVUMMDHB-VWLOTQADSA-N 422.403 1.573 30 10 HDEE CCCN(C1CNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870570 URYFFXAEOIXGLL-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE CN(C)[C@]1(C)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282876739 IARUAQQTPBWUGB-QGZVFWFLSA-N 400.375 1.762 30 10 HDEE CC(C)SC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(=O)O 2284378325 MLHUMVJXMCXYCP-NSHDSACASA-N 400.331 1.767 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)N2CC(F)(F)C[C@H]2C#N)C1 2286065360 NFLFMOJATFYMLK-RYUDHWBXSA-N 407.439 1.170 30 10 HDEE CC[C@H](C#N)S(=O)(=O)NCc1c(Br)c(Br)nn1C 2316991787 YXMVNGWBZLEXGQ-ZCFIWIBFSA-N 400.096 1.667 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H]4[C@H](C3)CS4(=O)=O)sc2Cl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n1c(N/N=C/c2ccc(O)cc2)nnc1SCC(=O)NCc1ccc(F)cc1 21315663 VNUYQPSXDZUZSZ-LSHDLFTRSA-N 415.454 1.691 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 25302352 XVVOXJDBNTZSPE-HNNXBMFYSA-N 402.322 1.653 30 10 HDEE CC(C)NC[C@H](O)COc1c(I)cc(C#N)cc1[N+](=O)[O-] 43414891 ARVBAHIIPSXVME-JTQLQIEISA-N 405.192 1.809 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 43610653 KARVVKRVOKVLTL-NOCBQHASSA-N 402.539 1.747 30 10 HDEE Cn1ncc2c(N3CCN(S(=O)(=O)c4ccc(Cl)c(C#N)c4)CC3)ncnc21 56019982 QBFOCCMMPBBBOR-UHFFFAOYSA-N 417.882 1.399 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)N3CCCC[C@@H]3C)n[nH]2)cn1 59887488 YIAYCBVHJUUNCN-VVSAQIQQSA-N 406.516 1.587 30 10 HDEE Cn1cnc2c1c(=O)n(CCCSc1nc3c(cc1C#N)CCCC3)c(=O)n2C 96995023 NJYQDEXYZHSECT-UHFFFAOYSA-N 410.503 1.762 30 10 HDEE CNC(=O)[C@H]1CC(=O)N(CC(=O)OC)/C(=N\c2cccc(C(F)(F)F)c2)S1 100272243 NCMKNGVUXLELQT-GINCOOJBSA-N 403.382 1.946 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)Cn2c(=O)cnc3ccccc32)cc1 109934462 DSTTVCJNGANEKQ-SFHVURJKSA-N 419.466 1.808 30 10 HDEE C=CCOC(=O)NC1CCN(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)CC1 169898153 CCVOXJNXEHVTJI-UHFFFAOYSA-N 416.390 1.094 30 10 HDEE CN1CCN(c2ccc3[nH]c(C4=C(N)N(Cc5ccncc5)CC4=O)nc3c2)CC1 170178764 YPMPNVMOQZRJPA-UHFFFAOYSA-N 403.490 1.422 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1 437002429 MUKSSVOTSDIYLR-LJQANCHMSA-N 420.469 1.734 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 444954989 SVOYUHDMSQQNHS-UHFFFAOYSA-N 416.869 2.476 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)CCCCOc2cccc(C#N)c2)CC1 461324220 QSKOPQKVOYZZEZ-UHFFFAOYSA-N 408.524 1.448 30 10 HDEE CNC(=O)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 484681804 RKVXGFJIRHGEQW-SFHVURJKSA-N 414.487 1.486 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 488260449 GEVWVZSPGZIDTM-LJQANCHMSA-N 419.489 1.289 30 10 HDEE CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491861545 BTNCHJNFGDEGPS-UHFFFAOYSA-N 410.524 1.630 30 10 HDEE COC(=O)C1CCN(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 507530472 JUZBVSCXDIMCBC-UHFFFAOYSA-N 407.492 1.531 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](Cn2cccn2)C1 508507659 ISNHFIJBPWNIPF-OAHLLOKOSA-N 413.507 1.558 30 10 HDEE CCn1cc(C#N)c(=O)n(CC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c1=O 515288430 WBXNGXUFIRFPTK-UHFFFAOYSA-N 411.443 1.672 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4ncccc4C#N)CC3)CC(=O)N2C)cc1 523814916 PVJAMZGVTVEGIU-CTNGQTDRSA-N 419.485 1.830 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(COC)c2)c(=O)n1Cc1ccccc1 524717064 ROTNAEVODWUOPG-UHFFFAOYSA-N 419.506 1.354 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1 533923723 MZSINJMFGUQMQP-UHFFFAOYSA-N 406.486 1.999 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)ccc1F 539861174 ZZIWYOAXLUCJTQ-FXAWDEMLSA-N 403.479 1.859 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3cccc(C(=O)NC4CC4)c3)CC2)n1 545470615 MGCMIQNXPJKRFM-UHFFFAOYSA-N 411.487 1.356 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(c3ccccc3)C2=O)c1 568923957 KDDAKCFXWCJRJF-SFHVURJKSA-N 412.471 1.148 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)c3ccc(C#N)c([N+](=O)[O-])c3)CC2)CC1 576080946 WZABJFWHKITQDY-UHFFFAOYSA-N 400.483 1.141 30 10 HDEE Cc1cc(N2CCN(C)CC2)nc(N2CCN(C(=O)c3cccc(C#N)c3)CC2)n1 585470362 LDFDIUZFMNLMCF-UHFFFAOYSA-N 405.506 1.371 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)C2)c(F)c1 587862109 IROIBDCSJDEDHZ-CRAIPNDOSA-N 400.454 1.420 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCCO1 603798932 PUSNOZNVRZCGFJ-AWEZNQCLSA-N 415.540 1.264 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)CC1 604182016 UQRKNBLBWCOLOC-QGZVFWFLSA-N 403.502 1.281 30 10 HDEE CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 608950612 JQYHKGIABALYKA-FQEVSTJZSA-N 406.490 1.888 30 10 HDEE Cn1cc(C#N)c(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)n1 611111942 KZCMSMVTOAXDOM-UHFFFAOYSA-N 402.480 1.539 30 10 HDEE COCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ccccc1 619817305 GRCIZGGIXDOBGE-UHFFFAOYSA-N 406.494 1.713 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 731213745 QIFARWIRTWFGRN-ROUUACIJSA-N 418.515 1.244 30 10 HDEE C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 731629526 DPRRTACSOUJODE-QXAKKESOSA-N 402.516 1.740 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC1CCN(CC(=O)Nc2ccccc2)CC1 731901993 RMRITQHHVAEMTD-UHFFFAOYSA-N 413.503 1.721 30 10 HDEE Cc1ccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OCC(=O)N(C)C)c1 732425010 AYXPNTQAERACHG-HNENSFHCSA-N 415.450 1.110 30 10 HDEE C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706962 SHJOZFXLNWOMMJ-UZLBHIALSA-N 423.517 1.838 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 732960230 CEQYULVKYUGUDY-CFDXPTNASA-N 420.425 1.693 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(OC)nc1 733200613 IBUOJUHNDXZWGY-CQSZACIVSA-N 410.459 1.864 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(OC)cc1 734919420 LYWNGEICEQJUFH-YLQAJVPDSA-N 403.435 1.158 30 10 HDEE CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747497522 GBDIJCAKBQWMIH-UHFFFAOYSA-N 416.459 1.038 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1Cc1ccon1 765146285 UUPIJRPTTJCSIU-UHFFFAOYSA-N 413.802 1.534 30 10 HDEE Cc1nn(C)c(C)c1[C@@H]1COCCN1CC(=O)[C@H](C#N)c1nc(O)c2ccccc2n1 772378840 QEBYXZJBROBKJX-WMZOPIPTSA-N 420.473 1.936 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)C1 773574290 MZBMHINRSDLPNT-RDJZCZTQSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)NCCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 774165287 UQYGNQPNBCGGFF-AWEZNQCLSA-N 412.895 1.486 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 780936969 FGMOLHNUWXJCRM-OAQYLSRUSA-N 406.486 1.734 30 10 HDEE C[C@H](O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC#Cc1ccccc1 791240180 VIZHWYNQTFCGIP-KSSFIOAISA-N 407.875 1.963 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)CC2)cc1 792699612 HBNBYOGAABAKIM-PMACEKPBSA-N 406.442 1.899 30 10 HDEE C[C@H](C(=O)OCC(=O)N(C)CC(=O)Nc1ccccc1Cl)n1cnc(C#N)n1 798742069 GVKSICULBXNXKU-LLVKDONJSA-N 404.814 1.004 30 10 HDEE CC(C)[C@H](NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCO2 798747357 HJFSZDIGATXVQU-YJYMSZOUSA-N 413.434 1.539 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@H]23)c(C(F)(F)F)c1 800385687 AMBDSESTWVDUOX-ACYZISMHSA-N 422.384 1.709 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2cc(C#N)ccn2)cc1 803847279 BGCDURKPGAZLCO-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE C#C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1ccc(F)cc1 812747554 DIIPXWNHAKVNPK-OAHLLOKOSA-N 409.421 1.621 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)c(C)cc2F)n1 815040470 AYGSUEHLEJKGEH-UHFFFAOYSA-N 423.466 1.588 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cnc(Br)c(Br)c1 1127371007 ISDJWQVNDMTCOL-UHFFFAOYSA-N 412.103 1.937 30 10 HDEE C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@]2(CCOC2)O1 1128314386 BFHHTKBCJKKXQS-IAMHBRQHSA-N 403.866 1.971 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(NC(N)=O)CC3)C2)C1 1137026589 NNZNTNRDKMDTPT-LQZXRHCMSA-N 405.499 1.433 30 10 HDEE Cn1ccnc1C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1137338151 ZSBIECDAEZQVCM-AWEZNQCLSA-N 404.467 1.951 30 10 HDEE CCC(=O)N1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1137513920 OVHWXYKBEJVQQU-KXSVDRQTSA-N 404.511 1.900 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCNc2ncccc2C#N)C1 1142386724 RNEHHXVRSFYSSH-MGPUTAFESA-N 401.467 1.507 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1153262837 SEOIAMXHCXEIAG-UHFFFAOYSA-N 417.510 1.841 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCCCN3CCO)ccc2c1=O 1161345805 OCIFLVQCBHFIDA-OAHLLOKOSA-N 402.520 1.448 30 10 HDEE CON=Cc1ccc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1 1167025048 VATBIUDJNGWAEC-HXUWFJFHSA-N 407.467 1.395 30 10 HDEE N#Cc1cccc(C2(NC(=O)CCCn3cnc4c(N)ncnc43)CCOCC2)c1 1167195960 BHDUZGXMTCGNIA-UHFFFAOYSA-N 405.462 1.882 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CCO[C@@](C)(C#N)C3)nn2)CC1 1179393892 MFBVBFXTEVLWRT-YWZLYKJASA-N 418.498 1.995 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2noc(C)c2C#N)CC1 1180924872 FYALFGGFDGUJAQ-FQEVSTJZSA-N 409.490 1.289 30 10 HDEE COC(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)co2)cc1 1198071319 HDRFQXABSYYXEQ-KXBFYZLASA-N 401.444 1.498 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c(C#N)cn1CC 1206508437 IBTNJBZQSJFOJT-LBPRGKRZSA-N 401.423 1.976 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1227696399 PRWJHLFWCLZYLH-GLJUWKHASA-N 414.528 1.212 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1230195704 PSPZXQKWJNRAAX-AWEZNQCLSA-N 410.478 1.393 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1 1233928847 UACDPKHAIORESK-KRWDZBQOSA-N 411.499 1.660 30 10 HDEE C=CC(C)(C)C(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1284338636 HDCWRCNAWMAUTG-ZXXIGWHRSA-N 403.523 1.093 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)COCCO1 1286283277 QXGRRHGVOCESOI-FOIQADDNSA-N 408.466 1.184 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1286394117 NHKGBSARRZXOES-IBGZPJMESA-N 417.579 1.824 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1286431898 SIQRXIHDQYGPSP-OALUTQOASA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286439912 IIPIOFYEIRWZNT-KRWDZBQOSA-N 412.519 1.558 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@H]1CC[C@H](CO)O1 1286460251 LZDVYXQAUIKPMM-ZWKOTPCHSA-N 415.450 1.479 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286506328 SUJFSPNHAKOEOI-UHFFFAOYSA-N 401.540 1.641 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1286645110 UXCLWQXTUWWGEJ-KURKYZTESA-N 402.543 1.885 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@H](F)C1 1286726836 JDUGMKQBQSGKIZ-ILXRZTDVSA-N 401.508 1.371 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CC[C@@H](C(N)=O)C2)cc1 1286794226 ACAHVBKHZTVXTD-MRXNPFEDSA-N 405.462 1.660 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1CCS(=O)(=O)N1CCSCC1 1286969459 GLZAEPKIHVTLFE-AWEZNQCLSA-N 412.585 1.205 30 10 HDEE N#Cc1ccc(F)c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1290215520 CKFUYQFFEZOCMJ-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1293701613 CTBZYPLWSCQVNJ-FUTAKVPZSA-N 410.526 1.988 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](S(C)(=O)=O)C3)C2)C1 1296940192 SIBONMAVMHEDCK-UARSRXHTSA-N 411.524 1.419 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCSC1 1300655013 NGTZHNWXRGUUJR-GOSISDBHSA-N 407.927 1.948 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CCCOC2)CC1 1300685431 NQEUNEAXZDHTIT-RXVVDRJESA-N 403.527 1.112 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300755519 VFPXMJSAUMQHMU-KRWDZBQOSA-N 414.535 1.467 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)OCC)CC1 1300761338 KSWPUXSRVUDVLG-INIZCTEOSA-N 407.540 1.817 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1300767862 GWCGFZKIKXUUIO-DLBZAZTESA-N 413.551 1.221 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301435783 RCWCJEBUMROYLU-LBPRGKRZSA-N 406.288 1.778 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1301609648 MPIMXAHSOJBKMZ-ARFHVFGLSA-N 407.540 1.533 30 10 HDEE CO[C@@H]1CCN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1302377167 PADBGMQWMRMVBR-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1304722465 BLZBUXZJADWPCI-UHFFFAOYSA-N 418.505 1.917 30 10 HDEE CC/C=C\Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1306464366 IQQIFIQEXAQCFH-PLNGDYQASA-N 400.508 1.865 30 10 HDEE CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1307027582 CREJPOGXDCJJRX-UHFFFAOYSA-N 423.521 1.539 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCn2cc(C#N)c(O)nc2=O)cc1C(C)C 1309696095 GHTHLTLKNAUYNF-UHFFFAOYSA-N 406.464 1.321 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2N2CCCCC2)CC1 1310075761 QHFLKILGSHBKQA-UHFFFAOYSA-N 405.524 1.294 30 10 HDEE CC[S@](=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1314578820 ZKUWRTLVLULTLN-VUFWKLLHSA-N 409.556 1.901 30 10 HDEE COCCOc1ncccc1Cn1c(CC(C)C)nnc1N1CCO[C@H](C#N)C1 1316231339 TXFOBWSGBMNRAR-QGZVFWFLSA-N 400.483 1.674 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1 1316310073 OXFWIGINFQLKNO-UHFFFAOYSA-N 405.480 1.551 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@@](C)(c3cccc(N4CCOC4=O)c3)C2=O)C1 1323715364 MCDLCULXJOCVNR-UTKZUKDTSA-N 414.462 1.645 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2cccc(F)c2)CC1 1358937581 AQMAJDWXZPKLOY-CQSZACIVSA-N 405.499 1.829 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1358961339 WTXUWJWLFKHWBI-SFHVURJKSA-N 424.530 1.548 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(CC)CC)nc1 1358968162 ANSQLUHPVOKOIV-UHFFFAOYSA-N 407.522 1.779 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1359002998 UWQYKRUGSHETBR-VZCXRCSSSA-N 420.473 1.940 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359013669 HSSHPNBKLDXFBT-HXUWFJFHSA-N 418.519 1.175 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCN2CCSCC2)CC1 1359044326 CCOBTZYLOHUOBC-UHFFFAOYSA-N 402.568 1.170 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359053885 CMUREYMKIVYJSN-INIZCTEOSA-N 405.549 1.720 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1359054588 AIWRTPKZMWSEGS-OXQOHEQNSA-N 414.535 1.876 30 10 HDEE C=CCn1c(N2CCC(S(=O)(=O)CC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359290351 WXRFAVGUSFGIGL-LJQANCHMSA-N 412.556 1.908 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(Cn2ccnn2)CC1 1359326581 DJNLPAQSIAILQN-INIZCTEOSA-N 421.571 1.901 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2ccn(C)n2)CCOC1 1360338832 KZVQTDXOBGCZAJ-WOJBJXKFSA-N 417.489 1.737 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)N3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1440621052 WEZQVCOZVNWOBP-UHFFFAOYSA-N 420.554 1.566 30 10 HDEE C/C=C/C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1447523729 PBKKSQRTXVQUPD-UJAVWCLSSA-N 407.492 1.519 30 10 HDEE C=CCn1cc(CNC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)nn1 1451885281 XYRJCMFHIFDDJX-UHFFFAOYSA-N 403.386 1.078 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(CN=S3(=O)CCCC3)c2)C1=O 1455044314 FRUNSHDATSXXNX-UHFFFAOYSA-N 418.475 1.364 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cc(C#N)[nH]c2C)CC12CN(C(=O)OC(C)(C)C)C2 1456295531 VKIICQXVFZXELZ-OAHLLOKOSA-N 402.451 1.677 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(Nc3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cn1 1458195768 DOGBSMDWIKKIGX-UHFFFAOYSA-N 408.415 1.604 30 10 HDEE N#Cc1cccc2c1CCCN2C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 1461361862 HIHGGCBFRXBCIO-UHFFFAOYSA-N 401.444 1.765 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCSC[C@H]2C(=O)OCC)s1 1463522767 CWVJTUMESAXPAX-ZDUSSCGKSA-N 418.562 1.262 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)Cc2ccccc2)c1 1464408885 JXPUJRGCDUBWIP-UHFFFAOYSA-N 424.475 1.468 30 10 HDEE N#C[C@]1(NC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCSC1 1464724647 WWWGEKIPZXQDBC-CYBMUJFWSA-N 409.411 1.379 30 10 HDEE C[C@H]1CN(c2ccccc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@@H](C)O1 1465310187 BFHNDUBWGXIUMU-OKILXGFUSA-N 412.450 1.256 30 10 HDEE O=C(NC[C@@H](n1cncn1)C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1471058059 IXKYESJROQRYCG-SECBINFHSA-N 406.306 1.609 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1ccccc1F 1471897454 GIDLLWFMUQXUHS-BBRMVZONSA-N 405.451 1.084 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H]3CCNC(=O)[C@H]32)CC1 1473745532 SJFXJHNSINTWND-FCEWJHQRSA-N 401.536 1.057 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)Cc1nnc2c(=O)n(C)ccn12 1473788016 AQGFWIOVRIHPMQ-AWEZNQCLSA-N 411.441 1.334 30 10 HDEE CN(C)CC#CCNC(=O)N1CC[C@H](c2ccccc2)[C@H](NC(=O)C(F)(F)F)C1 1479620803 NZVQFCHXQOSFDB-IAGOWNOFSA-N 410.440 1.798 30 10 HDEE COCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504893783 KTUQLZQKIYETSH-HNNXBMFYSA-N 402.449 1.970 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2cc[nH]n2)C1 1505319029 ULIALQSGYDEMOF-GOSISDBHSA-N 414.470 1.525 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1507536027 AACLLFUDIKHZBX-PBHICJAKSA-N 419.507 1.140 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1507646561 WOSGPEYQZAHTQN-IBGZPJMESA-N 416.485 1.384 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1507714774 VUXMDXGBVPXGTJ-GUDVDZBRSA-N 405.543 1.715 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1507755793 HYPKNOIGEVCGQM-WMZOPIPTSA-N 401.536 1.870 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1507846441 LSTDLLDRXYCWHB-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn(C2COC2)nn1 1508012458 FHNFMSMOFPXXOL-UHFFFAOYSA-N 421.465 1.315 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1508079523 YEOJJGDGJREKBU-GOSISDBHSA-N 410.522 1.990 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508086425 LGUZPPLKDZLHCP-UONOGXRCSA-N 408.453 1.403 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)OC 1518731271 UIPDSQBCDBRRNW-LAUBAEHRSA-N 410.478 1.195 30 10 HDEE COC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C[C@@H](C)O1 1518947534 XCEYPZHCTKBZHY-CRAIPNDOSA-N 413.478 1.494 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc2nccc(C(F)(F)F)n2n1 1519190079 CEBHMLNJADFKKL-NSHDSACASA-N 416.367 1.761 30 10 HDEE CS(=O)(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1519528535 MJZRQQORBFANAT-QGZVFWFLSA-N 415.519 1.521 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 1519627969 IFEYZGKHFGOQEL-BEFAXECRSA-N 407.536 1.902 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)C1=O 1531152379 VSRQRVYKVIDINO-YESZJQIVSA-N 412.490 1.473 30 10 HDEE C=C(C)C[C@H](NC(=O)Cn1cnc2ccc(Br)cc2c1=O)C(=O)OC 1535097375 DCLYDJOZEIKMAT-AWEZNQCLSA-N 408.252 1.783 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)cc1 1537946289 HXPHAGGEDJBMFF-SFHVURJKSA-N 403.504 1.333 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CCO1 1538843827 BUOASSKNABSJFM-QGZVFWFLSA-N 408.252 1.706 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cccnc1 1539167754 LFPZLDUKGCUUDA-UHFFFAOYSA-N 409.519 1.945 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1539272886 GCYHMEUNDDTSTM-UHFFFAOYSA-N 418.545 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CCSC2)CC1 1539477484 OGSWCBQPWDCJKP-HXUWFJFHSA-N 403.552 1.379 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[S@@](=O)C(C)(C)C)CC1 1539490455 VSZGVGISGUNGQX-GDLZYMKVSA-N 423.583 1.328 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)C(C)(C)C1 1539517490 OXOLYMKHIPNIOD-CABCVRRESA-N 412.581 1.408 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539742852 MBDQCENYXLOFPX-IBGZPJMESA-N 418.523 1.343 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539759830 LOCKAFGLPKHFIA-GHTZIAJQSA-N 421.542 1.628 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1539774580 CTTSKQBOKMSTQV-HIFRSBDPSA-N 417.963 1.894 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(F)(F)C1(OC)CCOCC1 1540084271 QGXHTATYJFKQBN-UHFFFAOYSA-N 413.469 1.854 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1540859873 QRIQJNSFHVFBNR-UHFFFAOYSA-N 412.494 1.759 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540872907 FLDRWXSUACVLEQ-INIZCTEOSA-N 422.493 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1540902255 FADMTMHBZWPGJL-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1 1559835968 BMVKBVNNTVGSQZ-YESZJQIVSA-N 411.424 1.835 30 10 HDEE COCCN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C(C)(C)C1 1585241178 XYGQHACGHRGVCE-UHFFFAOYSA-N 407.536 1.947 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1587579004 BPPAPTIHEKFOFF-CQSZACIVSA-N 417.535 1.579 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 1587851283 GXAZYCMFVCLFKR-SFHVURJKSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1587974802 BATMUBPZXMHQDL-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1589207772 QGVRRWHHMVGIHA-SQGPQFPESA-N 406.552 1.989 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC(F)(F)F)nnc1[C@@]1(OC(C)C)CCOC1 1595595444 VBFQACNURZHSEU-MRXNPFEDSA-N 405.421 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(N(C)C(C)=O)CC1 1595798020 LFFPFWSXXFJVIN-UHFFFAOYSA-N 409.556 1.594 30 10 HDEE C=CCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1596244879 RKYOPMWJEOCALF-GJZGRUSLSA-N 411.499 1.516 30 10 HDEE CC(=O)c1cc(F)c(O)c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 1596936323 KXDWLQIZSXAAHL-UHFFFAOYSA-N 405.407 1.801 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1 1606886935 WEZQGVQGMNHALX-INIZCTEOSA-N 400.460 1.492 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCCN4CCCC[C@H]34)C2=O)cc1 1611386345 XTRQDOKOHLOCQH-IPMKNSEASA-N 409.490 1.896 30 10 HDEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1614587100 RMASZPJERSNLFC-UHFFFAOYSA-N 412.494 1.872 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CC(O)(CC#N)C3)ccc2NC1=O 1616733371 OKCOKVKSYOAIAO-MRXNPFEDSA-N 414.462 1.565 30 10 HDEE N#CCN1CCC(CNC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)CC1 1617359083 FJMZTQLIXGHTCR-UHFFFAOYSA-N 407.377 1.385 30 10 HDEE C#CCCN(CCOC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1620448824 WBNUWXCTDNJTID-UHFFFAOYSA-N 421.563 1.108 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)[C@H]3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2)cc1 1623603278 VTFKWRYTFYNXCB-OWZKRDHZSA-N 401.532 1.948 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)N3CCOCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1623965509 XKEMWXYGRALZJB-UHFFFAOYSA-N 422.526 1.396 30 10 HDEE COc1ccc(NC(=O)CNc2ccc(C#N)cn2)c(N2CCN(C(C)=O)CC2)n1 1626202381 GHAOXCOCYSYMQP-UHFFFAOYSA-N 409.450 1.076 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]32)n1 1626713275 FJNYMNUOWKYLFY-IPMKNSEASA-N 416.522 1.994 30 10 HDEE C#Cc1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1 1627883529 WBBZWAJVSYFVBK-GOSISDBHSA-N 400.504 1.725 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2c1NC(=O)CO2 1632924942 PSCPFYOACWATTP-UHFFFAOYSA-N 414.443 1.475 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCN2C=O)CC1 1633103714 DSUQHBPSLBIEPE-IAGOWNOFSA-N 405.296 1.779 30 10 HDEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]1(C)CO 1633312927 WTGKNQWXUIVPCH-QRWLVFNGSA-N 407.536 1.762 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCN([S@](C)(=N)=O)CC1 1633981674 NPBDHPXUEWJULQ-PWFNWSNSSA-N 401.533 1.699 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)C(=O)OC 1635158979 PUXCFSPKIYYZJK-LBPRGKRZSA-N 409.489 1.860 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCNC(=O)CCCc3ccccc3)CC2)cn1 1636334996 PPBADXADHISJPS-UHFFFAOYSA-N 420.517 1.924 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H](Cc2ccc(F)cc2C)C(=O)NC)CC1 1636435667 DYLDCNZKBXIDDS-SFHVURJKSA-N 416.497 1.210 30 10 HDEE CC(C)[C@H](CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)N1CCN(C)CC1 1638404433 FMNNSESLWGSCPH-MSOLQXFVSA-N 409.575 1.962 30 10 HDEE C=C[C@H](C)ONC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 1639673057 DZYXSBHXYIQLRS-LBPRGKRZSA-N 400.453 1.479 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)ccc1F 1639737552 IRVJFCDNIOAGHB-CYBMUJFWSA-N 418.512 1.376 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CCOCCOC)CC3)n[nH]2)c1C 1644171305 YYRJJRJBNYLRKQ-UHFFFAOYSA-N 416.526 1.497 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)C#Cc2ccccc2)C1 1645081827 SZFZYIJEKMAARH-KRWDZBQOSA-N 406.504 1.579 30 10 HDEE CN(C)c1ccc2nnc(CNC(=O)Cc3ccc(Br)cc3C#N)n2n1 1645337213 DFPDDGIMRBDZLE-UHFFFAOYSA-N 414.267 1.683 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)cc1OC 1648912491 XAPHBEFHEJEIKS-SXVOPIBFSA-N 402.491 1.615 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@H](O)CC23CCC3)CC1 1654785959 RIAQPQNVFPHRIS-UXHICEINSA-N 400.498 1.914 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnn2c1OCCC2 1656936205 LQAICWFGYDQSEI-UHFFFAOYSA-N 424.523 1.689 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1663081073 RENOQYVQEVUSRA-SNVBAGLBSA-N 419.297 1.992 30 10 HDEE COC(=O)c1coc(CNS(=O)(=O)c2cc(Br)cc(C#N)c2)n1 1664818329 AFNUAIQNVCUROF-UHFFFAOYSA-N 400.210 1.574 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CC(c3ccc(OC)c(F)c3)=NO2)CC1 1672041850 AOQYYFJOWYTHBV-CQSZACIVSA-N 418.425 1.816 30 10 HDEE C#CC1(F)CN(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1672932019 OJLRFNBDEMZSHE-OAHLLOKOSA-N 407.511 1.982 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1673922350 ICDANMGNFNHFSL-ZWKOTPCHSA-N 405.495 1.151 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1677752930 ZLHHVLUWUJESEO-UHFFFAOYSA-N 419.547 1.921 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1682963372 FMHJFEABUJIHCS-UHFFFAOYSA-N 422.551 1.056 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H](C)N3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 1686904483 CASVXNGZKVAPPG-KFWWJZLASA-N 406.556 1.653 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCN(CC)CC1 1690073901 KUIGEYJFTOPSGV-SFHVURJKSA-N 401.559 1.106 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCN(C2CC2)CC1 1690106400 UPEYRWBPKGOKIX-UHFFFAOYSA-N 414.554 1.361 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1690178996 JZACOTWVPPLRJH-UHFFFAOYSA-N 404.565 1.702 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC)[C@H](C)C1 1690236783 RDESEBJHACKBDL-KURKYZTESA-N 404.559 1.928 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](COC(C)C)C1 1690299517 VIHNDFIEJFZXAV-SFHVURJKSA-N 421.542 1.737 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690312015 ZATFFYJVPWBCFK-SFHVURJKSA-N 407.559 1.922 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1690524523 NFBDZLDPTBVLLG-KGLIPLIRSA-N 416.448 1.505 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)N1CCSCC1 1690525874 RWNQBKQGRAKWFW-HNNXBMFYSA-N 415.585 1.173 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](OC)C1 1690674356 XYICKYGBIQPDQE-KRWDZBQOSA-N 409.494 1.434 30 10 HDEE COCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)CCC1 1697949968 YINFBMBIVOOGLW-BZSNNMDCSA-N 419.526 1.938 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCN1CCOC(C)(C)C1 1698060819 HPPFNXRZNVKADV-GOSISDBHSA-N 420.558 1.649 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705530134 JKICWCYFAKHWKF-UHFFFAOYSA-N 408.510 1.875 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H](C)N1CCOCC1 1705543998 BMHPKTOXAMGKRD-ZDUSSCGKSA-N 407.316 1.826 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705570295 ODRAZIPAWWLBPF-INIZCTEOSA-N 421.567 1.020 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC(=O)NCC2CC2)CC1 1705634088 JCOSQKRTIFCIFC-UHFFFAOYSA-N 423.477 1.135 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2c(CC)noc2C)CC1 1705641142 SZXMBXULRCTFCO-UHFFFAOYSA-N 405.506 1.926 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](OC)C2CC2)CC1 1705647405 DDJJPEBTXGCWOO-RBUKOAKNSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1705659281 QFTYTBAAXWOLPI-HOCLYGCPSA-N 416.551 1.091 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705693194 CTGYCGMMSROSNO-OWCLPIDISA-N 404.515 1.099 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCO[C@H](CNC(C)=O)C1 1705709929 UAFWKCWIMFIMCB-SCTDSRPQSA-N 407.515 1.137 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1705883901 ABOVQDHLEAAQPZ-SJORKVTESA-N 412.556 1.983 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705945288 HCIXCTLEXKGSOK-GJZGRUSLSA-N 406.512 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCc1ccn(C)n1 1722391842 WJSFMIZGXYBYMR-JOCHJYFZSA-N 410.522 1.758 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1722458206 FWQNZIHFHULGHF-HZPDHXFCSA-N 418.567 1.481 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722527691 QXYBRHZLQFHKEX-OXJNMPFZSA-N 407.515 1.393 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722664983 DYNOMPMILNVXIW-PXNSSMCTSA-N 424.567 1.933 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1722702440 NWAJMXNXWOETHC-HZPDHXFCSA-N 418.542 1.343 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1722823379 BCSYVZWETMTHSD-IBGZPJMESA-N 410.478 1.337 30 10 HDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)n1 1726437874 CTMCUTCPXZRTGI-UHFFFAOYSA-N 406.450 1.419 30 10 HDEE CCN1CCN(CCCCn2c(C)nnc2N2CCN(C3CC3)[C@H](C#N)C2)CC1 1728633492 JUDKTPSHHGETNC-HXUWFJFHSA-N 400.575 1.181 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1CCCCN1CCCC)[C@H]1CCS(=O)(=O)C1 1740617375 QFVPMAACLUKKFV-OALUTQOASA-N 407.584 1.868 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@H](O)C1 1740646481 ASNALPMCIBWAEI-IPJJNNNSSA-N 400.523 1.944 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OCC2CC2)c1 1740653328 IXNGQBWPQBPMDG-IBGZPJMESA-N 418.501 1.924 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740671534 JLIKXYGPZSCOFU-PFRQMTDMSA-N 406.552 1.581 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cn[nH]c1 1740677045 PIGRCYIVJMEBFY-SFHVURJKSA-N 407.453 1.974 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@](C)(O)C(C)C)CC1 1740707168 RITDJECBBNLYSH-QHCPKHFHSA-N 424.549 1.637 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1740886734 QPNVDSMCOFEZNC-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccn1C(F)F)C1CC1 1740906905 SMXKUDKNMINAOY-NSHDSACASA-N 415.470 1.683 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC=C(COC)CC1 1740953712 OVFLFDUFMXGVRU-UHFFFAOYSA-N 412.450 1.938 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)C1 1740986763 GSMSNHYJWRQUBB-QGZVFWFLSA-N 417.535 1.357 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1741798159 GEKJAPLRVVJEKD-OAHLLOKOSA-N 405.466 1.729 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)o1 1742204295 DTVMSPILSGXYCM-QZTJIDSGSA-N 414.510 1.932 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1743821235 HATWYKLUFJVGCT-FOIQADDNSA-N 417.535 1.849 30 10 HDEE CC[C@H]1[C@H](C)CCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1744801738 BDMZMCQSCHATFD-PBHICJAKSA-N 407.482 1.925 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)Br)cn1 1748012912 FPZXUAIBXFNRTN-JTQLQIEISA-N 402.203 1.395 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748756002 FYKZRGYRAMRUKF-UHFFFAOYSA-N 402.524 1.149 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC(C)C)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1748779497 MJJRYNUKODDUSN-JOCHJYFZSA-N 413.522 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)CC1 1748989497 MMFQDBRENWYFMS-CQSZACIVSA-N 419.473 1.278 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCc2n[nH]c(C)n2)CC1 1748998845 BUNKDRVUPRLNMT-UHFFFAOYSA-N 420.521 1.590 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC(O)(c2ccccc2)CC1 1749669803 NZMAYICRFUBCHS-KRWDZBQOSA-N 411.506 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1760097712 JARXDCUQUQJWIG-NWDGAFQWSA-N 408.553 1.728 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760135955 OPKCZMCLSSZJKV-JOCHJYFZSA-N 421.505 1.958 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCC(=O)NC(C)(C)C)CC1 1760273019 GEKKKCBFBCKXPY-UHFFFAOYSA-N 418.542 1.085 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760278756 GINBIPLLPJTDQN-KRWDZBQOSA-N 400.552 1.798 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(C)CCCS(C)(=O)=O 1760281866 YUQCHLVFZMBBIZ-OAHLLOKOSA-N 400.570 1.757 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1760295417 SKWAXFAZBMWYDH-KMAZBDISSA-N 424.505 1.691 30 10 HDEE C=CCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760513139 LXLOZPUSNLILSI-JXFKEZNVSA-N 404.515 1.545 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC(=O)N(C)C[C@@H]1C 1760525388 DHKLXPWAGXCTKT-HNNXBMFYSA-N 421.505 1.319 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(CC(=O)NC3CC3)CC2)cc1 1760529534 ARZVADPFGRLZLJ-UHFFFAOYSA-N 410.522 1.600 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)nc2)C1 1760534201 SOKLXTZMJISCAX-QGZVFWFLSA-N 412.494 1.747 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1762051028 JTIMXDLQDFLRGF-CZUORRHYSA-N 417.539 1.667 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1766382982 HKKTZFQUCHBMCT-GOSISDBHSA-N 412.494 1.681 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1767796459 FXEWDWPXIFMOLX-INIZCTEOSA-N 422.449 1.222 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767885152 LQJROINVWJPAFX-RAJOGRCSSA-N 402.499 1.967 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)CN1CCOCC1 1769996253 WEAMDKUBUFSYIC-QKLQHJQFSA-N 424.521 1.412 30 10 HDEE CSC1(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1771416092 AEAPZPDWGGXEFR-HNNXBMFYSA-N 420.539 1.041 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCC(F)(F)C(F)F)CC1 1771535493 OWZRJNBMFCCKSH-GFCCVEGCSA-N 418.395 1.886 30 10 HDEE COc1cccc(-c2ccc(S(=O)(=O)NCC#CCN3CCOCC3)cc2)c1 1849750763 SBGGZAPQUXXCHC-UHFFFAOYSA-N 400.500 1.976 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)OC[C@@H]2CCNC(=O)CO2)CC1 1850409754 QGCYCZWXYUPDGK-KRWDZBQOSA-N 408.458 1.771 30 10 HDEE COc1cc(Cl)c(C)cc1-n1nnc(C(=O)NCC#CCN2CCOCC2)c1C 1850691321 MFSJBTXHUNFKAV-UHFFFAOYSA-N 417.897 1.612 30 10 HDEE C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)N1CCO[C@H](C(N)=O)C1 1852620624 JHNFBFATLDQHCN-LIRRHRJNSA-N 403.442 1.504 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)CN(C)c3nc4ccccc4s3)C(=O)C2)C1 1853638208 BMIFZWNLYRYJET-INIZCTEOSA-N 413.547 1.664 30 10 HDEE Cn1cnnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1854010800 NFJLZVDJZXBJAG-KRWDZBQOSA-N 406.490 1.945 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccc(OCC)cc2)C1=O 1854330693 PRKYRHQYRHBVDR-RTBURBONSA-N 415.490 1.310 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2cccnc2)CCN1S(=O)(=O)c1ccccc1C#N 1854460252 WTLIETLALQYNGQ-UHFFFAOYSA-N 412.471 1.334 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCCc4nccc(OC)c43)C2=O)CC1=O 1854483059 CNTZANSSYQZJMR-DOTOQJQBSA-N 412.490 1.395 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](C2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1855032837 HSZBRRAQSJNZAB-PKOBYXMFSA-N 405.539 1.535 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc3c(c2)OCO3)CCN1CC(=O)c1ccc(C#N)cc1 1855147905 VSPCVLXBJULSHU-CQSZACIVSA-N 405.410 1.843 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](CN(C)CCC#N)CC1=O)n1nc(-c2ccccc2)ccc1=O 1855713483 QLGZXZFSFZCFBD-DLBZAZTESA-N 407.474 1.692 30 10 HDEE Cc1ccccc1N1C[C@H](C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)CC1=O 1855854812 XDESKFVBMPMNKB-RBUKOAKNSA-N 408.502 1.959 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)Cn3nnc4ccccc4c3=O)C2=O)CC1 1856535833 CFGGXLLGKHUFNH-IBGZPJMESA-N 409.490 1.741 30 10 HDEE Cc1ncccc1C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1856559961 HXWLXYKXKKKGBM-LJQANCHMSA-N 404.474 1.610 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3cccc(Cl)c3)C(=O)O2)CC1 1856602681 JBDQUSPPHODHGP-HNNXBMFYSA-N 411.867 1.866 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@@H](CN4CCC5(CC4)C[C@@H]5C#N)CC3=O)cc2n1 1857213243 GVXOSGSSMQDPSW-IAGOWNOFSA-N 406.490 1.961 30 10 HDEE N#Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)NC(=O)N3CCCC3)cc2)c1 1858661384 DZNZOCKPJNMUNO-UHFFFAOYSA-N 412.471 1.982 30 10 HDEE C=CCOC(=O)c1cccc(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)n1 1858762851 IOFRTNZELJCFGS-UHFFFAOYSA-N 424.461 1.282 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccccc2)c(=O)cc1CN1CCN(CC)CC1 1870395481 JOGFJLHNQBBDHK-UHFFFAOYSA-N 424.545 1.867 30 10 HDEE C=CCN=c1nc(N2CCN(C)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575955 YFXURKFTFZTGJC-UHFFFAOYSA-N 404.862 1.370 30 10 HDEE C=CCn1c(C(=O)Nc2ccc3c[nH]nc3c2)cc2c(N(CCO)CCO)ncnc21 1873645886 CSMAMLMBMQMIFI-UHFFFAOYSA-N 421.461 1.537 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3ccncc3)ncnc21 1875229688 BGYGDVWJKZEDSZ-UHFFFAOYSA-N 421.505 1.375 30 10 HDEE C=C(Br)CS(=O)(=O)NC1CC(COC)(NC(=O)OC(C)(C)C)C1 1982285729 AENSXLLBYRLFEA-UHFFFAOYSA-N 413.334 1.887 30 10 HDEE COC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010402036 LGOQYFGYGQBIBV-CYBMUJFWSA-N 422.291 1.254 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2118163050 NNQPTNCDODDCGS-FTJNGKRUSA-N 400.482 1.407 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CC(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174784799 RTLVPLHJPITKQJ-TUBUQKNSSA-N 404.508 1.699 30 10 HDEE C=C(C)CN(CC)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195281820 FJQPWHSFLJTPNF-PWFNWSNSSA-N 404.529 1.916 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@H]2C=O)S(=O)(=O)C(C)(C)C1 2197733487 BAGOJLYQSOQSHP-UONOGXRCSA-N 402.513 1.379 30 10 HDEE Cc1cc(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)sc1C#CCO 2202303194 AKLAZNCUAXWNHH-UHFFFAOYSA-N 406.529 1.636 30 10 HDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247826272 RDHKPWPNIODRND-UHFFFAOYSA-N 412.299 1.440 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N2CCN(Cc3ccccc3)CC2)OC1(C)C 2247860713 ADNRQQCRBHKLND-UHFFFAOYSA-N 408.311 1.734 30 10 HDEE CC1(C)OB(c2cnc(N(Cc3ccccc3)CC3(O)CNC3)c(F)c2)OC1(C)C 2248568852 QBYYTXGSCKWPBV-UHFFFAOYSA-N 413.302 1.861 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=[S@](C)(=O)C3CNC3)c2Cl)OC1(C)C 2267108055 FEDUSHHESLFIQO-RUZDIDTESA-N 404.750 1.911 30 10 HDEE C[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C1CS(=O)(=O)C1 2281933205 WGVIWEBMCJOEEA-SECBINFHSA-N 419.761 1.864 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)CC1CNC1 2282323071 VQZXBDCXLMJDIV-LLVKDONJSA-N 400.375 1.632 30 10 HDEE CCN(CC(=O)N(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335667 SNZIJWUKWMBBJB-UHFFFAOYSA-N 402.347 1.146 30 10 HDEE CSCC[C@@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282347541 ZGTMSUDGSBZBRZ-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC[C@H]3CN)c2)OC1(C)C 2282422689 FCGSUVRAKDBQLX-JSGCOSHPSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H](CO)CC2)OC1(C)C 2282490507 JYMHRQPWASBCCW-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1O 2282502216 HXQMXBURDTWGPB-OCCSQVGLSA-N 401.359 1.580 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C)sc1B1OC(C)(C)C(C)(C)O1 2282602442 RVOXBEBJGOJVML-NSHDSACASA-N 401.359 1.909 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNCCSC1 2282831379 JNLGWTQACVWVDP-GFCCVEGCSA-N 418.415 1.339 30 10 HDEE CON(C1CCNCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848896 UEABEYMFLMUEQO-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE CN(C1(CN)CCCC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849463 BPZQMLGZQXWCMQ-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE CCN1CCC[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877831 XQUUBVDNHAQMFO-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C(=O)O)C1CC1 2284401521 BCRBKUIAXDVIJE-CYBMUJFWSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC3CC3)C(=O)O)c2)OC1(C)C 2284413462 KVPFLQUKDYQJJZ-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CC1(NC(=O)OC(C)(C)C)CCOCC1 2365206272 XZNDYJHRUSYVPI-HNNXBMFYSA-N 402.557 1.865 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C1CN(C(=O)OC(C)(C)C)C1 2367830313 HYQSGZJWBYLJGL-HOTGVXAUSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367856162 OMYDHDZJTKXKBU-SFHVURJKSA-N 401.525 1.972 30 10 HDEE C=CCC1(N[C@@]2(C(=O)O)CCC[C@@H]2S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2374104093 BYKICFDGLJFOAF-UGSOOPFHSA-N 402.513 1.562 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC#Cc2ccccc2)C1 25148869 OYWNGJKHHJTOIM-SFHVURJKSA-N 401.488 1.860 30 10 HDEE C[C@H]1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 47144972 PRJFWLAGTWRNLQ-KRWDZBQOSA-N 418.563 1.950 30 10 HDEE COc1ccc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)cc1OC 103101721 XGERFTWHEJUYTQ-VZCCSQPZSA-N 417.414 1.727 30 10 HDEE Cn1c(NN=Cc2ccc(O)cc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C 254841620 RSJMMVQXSLKXJP-UHFFFAOYSA-N 404.430 1.634 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)n1cnc(C#N)n1 409623419 RNRWECSCLHSRCO-ROUUACIJSA-N 408.510 1.167 30 10 HDEE Cc1c(Br)cc(C(=O)N2CCN(c3ncccc3C#N)CC2)c(=O)n1C 434061204 FGYCHDMXYAEECC-UHFFFAOYSA-N 416.279 1.685 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)cc1 435997660 CMAIOYFOAOBJGA-GUXCAODWSA-N 408.520 1.950 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CC 447787813 RTDCPOKJLULAGP-UHFFFAOYSA-N 407.499 1.145 30 10 HDEE COCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCO2)CC1=O 461137703 CHQJQJVEEXCOFE-IBGZPJMESA-N 424.505 1.681 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCOC1 461617266 VMUOVKSMCPJCFG-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc([C@]2(C)NC(=O)NC2=O)c1 504086387 CHUMGCPEXSXUSO-UXHICEINSA-N 400.435 1.941 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCC(C)(C#N)CC2)o1 507821442 BHZRKOWSACMFPO-CQSZACIVSA-N 423.491 1.762 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 511277807 UADQONKLGXECKO-UHFFFAOYSA-N 420.553 1.151 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@@H]1CCCO1 514492411 WRILLCPIXDHPJH-KRWDZBQOSA-N 411.527 1.427 30 10 HDEE CN1C(=O)C[C@@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 514814767 XDOQIBJCWJMAMI-APWZRJJASA-N 418.906 1.942 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CC1 520782062 JWGFDSCQUVXGRL-XYJFISCASA-N 414.535 1.328 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 522318159 SWGGDJOGJHTILZ-PZJWPPBQSA-N 400.523 1.784 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(Cc3ccccc3)c2=O)o1 532108806 NSHDVOZTWHYFKN-UHFFFAOYSA-N 419.506 1.895 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CCCN(c3cccnc3)C2=O)cc1 541501328 NCYRZZKBFWKSLA-SFHVURJKSA-N 412.471 1.180 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 542092843 ISWPGYJHPSKVJK-UHFFFAOYSA-N 404.839 1.636 30 10 HDEE COC(=O)c1ccccc1CS(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 545471568 KPSXGYIFYILQLH-UHFFFAOYSA-N 400.460 1.392 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2C[C@@H]2CCCO2)cc1 549889346 CVQFCJKWTNFXCX-MJGOQNOKSA-N 422.489 1.719 30 10 HDEE CCn1c(C2CCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558880920 NOPHKPKKWVUCOH-UHFFFAOYSA-N 400.508 1.948 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)OCCCC)nc1C 586305195 TZGUBIDIARYMQW-AREMUKBSSA-N 402.494 1.825 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccc(F)cc1 603787612 XTVSSKIKOAVWSE-UHFFFAOYSA-N 423.444 1.959 30 10 HDEE C=CCOCCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)OCC)o2)CC1 611545273 YRAAHZFIYPHTDS-UHFFFAOYSA-N 414.480 1.176 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OC)CC1 669810687 AMWGLUZFHYBJEY-SFHVURJKSA-N 413.478 1.523 30 10 HDEE C=C(C)Cn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N(C)C)CC1 670208755 MBTRKNMAIRMTDU-IBGZPJMESA-N 410.522 1.741 30 10 HDEE CC(=O)NCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730140900 IEXNMFIGXVKXFY-QGZVFWFLSA-N 419.551 1.212 30 10 HDEE CC(=O)NCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 730141780 PCLLDMAESAHYDP-KRWDZBQOSA-N 419.551 1.131 30 10 HDEE COc1ccc(CN(C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC(F)F 732465060 DFVRGZDYNQXNTP-MSUUIHNZSA-N 424.404 1.964 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n(C)c2)C1 732650035 YAAWBNLNICZAMW-NVXWUHKLSA-N 419.551 1.258 30 10 HDEE C[C@H](c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1)N1CCOCC1 737199923 XRSDYOFEUOJTOD-OXQOHEQNSA-N 411.506 1.217 30 10 HDEE CC1(C)CN(C2(CNC(=O)CCN/C(O)=C3/N=CC=CC3=O)CCCCC2)CCO1 746239215 HKGZYWKSINBLKM-VXPUYCOJSA-N 418.538 1.833 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC[C@]2(CCO)CCOC2)c1 762214545 PNIYFRKTAOMENT-WDUNQMNWSA-N 424.523 1.410 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)cc1 762549544 SVVIYBBWVJHERM-FQEVSTJZSA-N 411.527 1.945 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCS(=O)(=O)Cc2ccccc2)cn1 764747479 PWGRJJRZSCHREE-UHFFFAOYSA-N 410.459 1.875 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)NS(=O)(=O)c1scnc1C(=O)OC 768023537 YFAWMLHBBBAYIY-UHFFFAOYSA-N 412.445 1.622 30 10 HDEE C#CCN(C(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 769143384 MHSJGACJEZWXNS-HZPDHXFCSA-N 414.524 1.051 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)c2ccc(F)c(Br)c2)CC1 774592251 PLLFHTRKSWOZDJ-INIZCTEOSA-N 400.292 1.541 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)O 776597787 RCDWPSXGFWKLDJ-MRVPVSSYSA-N 404.242 1.729 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)COC(=O)c1ccc(C3(C#N)CC3)cc1)C2=O 777176430 ASXMTSAFTCNXSW-UHFFFAOYSA-N 424.457 1.930 30 10 HDEE C=CCOCCNC(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O 780030028 SYZDYYRUFJUYOS-QGZVFWFLSA-N 410.268 1.535 30 10 HDEE CNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 787750577 GUPGOWOBEVIKIN-ZBFHGGJFSA-N 408.524 1.027 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790139714 VGVJPNRJYNYQAM-OAQYLSRUSA-N 408.543 1.565 30 10 HDEE Cn1c(CC#N)nn(CN2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)c1=S 794638972 IOUSPWHZEGTWAU-OAHLLOKOSA-N 406.537 1.881 30 10 HDEE CCN(CC)C(=O)c1cccc(NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c1 798745710 LDQCWQNQQQGLHW-KBPBESRZSA-N 412.450 1.763 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@@H]1CCN(C(=O)COc2ccccc2)C1 800886503 QMGROTSIWDRSTI-OAHLLOKOSA-N 400.460 1.297 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C[C@@](O)(c2ccc(C)o2)C(F)(F)F)CC1 818651357 OMXFYCTYCCFCNV-QGZVFWFLSA-N 403.401 1.174 30 10 HDEE N#C[C@H](C(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1)c1nc(O)c2ccccc2n1 919804410 QJHKQSBNLDXSBF-DOTOQJQBSA-N 423.473 1.082 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1 1124190014 READZDIJOQUONO-HUUCEWRRSA-N 419.507 1.904 30 10 HDEE CNC(=O)[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1130468990 DDWGZNFDGKBBSF-ACJLOTCBSA-N 408.380 1.438 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1133811504 XQQOIUHCYYTTSC-CYBMUJFWSA-N 424.910 1.105 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCCS2(=O)=O)nn(-c2ccc(F)cc2)c1N 1136199738 ICRBWLMKMOPARX-INIZCTEOSA-N 405.455 1.091 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NOCCN3CCCC3=O)C2)C1 1149452709 XYUPDBIMZZNMLW-RDYUPDBUSA-N 406.483 1.443 30 10 HDEE N#Cc1cccc([C@H](NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C(F)(F)F)c1 1152829361 BQEQYAMNYODDRS-AEFFLSMTSA-N 424.423 1.459 30 10 HDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNc1ccc(C#N)cn1 1158851705 WLYYCZNEDQKIJU-INIZCTEOSA-N 403.483 1.850 30 10 HDEE CC(=O)NC1CCC(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)CC1 1161250276 FYBWSLQFXTXTJY-UHFFFAOYSA-N 409.284 1.864 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCC(c2ccc(C#N)cn2)CC1)S(C)(=O)=O 1174874211 QXNFNJXZZYEVIK-UHFFFAOYSA-N 421.567 1.309 30 10 HDEE C[C@H](CC(=O)NC[C@@H](CO)c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1183694872 RPOQZRAVFRVIDN-HIFRSBDPSA-N 419.478 1.535 30 10 HDEE COC(=O)c1ccc(NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)c(C#N)n1 1185346003 GTWAJXWKYJZXAY-UHFFFAOYSA-N 406.386 1.713 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCN1S(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1 1189039417 BXCQXBLPZWDAEJ-KRWDZBQOSA-N 407.492 1.672 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1COCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1196083174 HWRAZFSVNODNJL-KRWDZBQOSA-N 411.462 1.725 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 1220901634 FZLMOMBTNZUZEF-MRXNPFEDSA-N 402.495 1.793 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)C1 1248676760 RJNATJOHFPTSCP-IEBWSBKVSA-N 405.520 1.271 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286296886 SUZYEBBKDCEOMW-QZTJIDSGSA-N 415.563 1.917 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC[S@](=O)C(C)(C)C)CC1 1286480318 KWJXXOJGQKRESW-HPGBDJQBSA-N 407.584 1.822 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CCNC(=O)CC1 1286510233 MVZXOGDPSWBXSQ-UHFFFAOYSA-N 415.519 1.558 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286610836 BYMQFPDLGSKXPA-IBGZPJMESA-N 416.570 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286819901 ZBYOGERNAZZONU-HUUCEWRRSA-N 409.556 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC[C@@H](CC(N)=O)C1 1286821959 DVZDAOKQYPNGEI-KRWDZBQOSA-N 423.583 1.703 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NCC)CC1 1286828117 HFFMWDSBPALSOO-UHFFFAOYSA-N 403.556 1.451 30 10 HDEE C=CCSCCn1c(N2CCS(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1286835953 DDZLWKSTGCMMCN-SFHVURJKSA-N 414.597 1.807 30 10 HDEE CC(C)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(C)(=O)=O 1287229732 ZIWKTFYSYZBVFM-SJORKVTESA-N 402.524 1.694 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCn1cncn1 1288186651 KWTJFVATGRALKB-MSOLQXFVSA-N 419.493 1.452 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 1300019346 VFVHUZBQBMIFTP-WMZHIEFXSA-N 417.469 1.964 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1300337290 YDNCCVPVGILUGU-UHFFFAOYSA-N 401.511 1.703 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1300367587 GCRKJFGDOHSEAO-UHFFFAOYSA-N 423.565 1.714 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(N2CCCC2)CCOCC1 1300430853 AZJHMXBAQIPUDL-JOCHJYFZSA-N 417.554 1.645 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300430974 RCKHHEGTWZRQFQ-ACJLOTCBSA-N 409.487 1.005 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(Br)c2)n1Cc1ncn(C)n1 1300448638 ASDWWKFCGXRLEZ-UHFFFAOYSA-N 416.283 1.962 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](C(=O)OC)C1 1300767600 AKWYDRDUMKVQRT-MRXNPFEDSA-N 402.524 1.505 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1301097333 UZVJPDZPKLUWLK-JYJNAYRXSA-N 418.498 1.147 30 10 HDEE C=CCCOCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1301259567 NTMNSZCNZAOHMY-UHFFFAOYSA-N 411.572 1.685 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC[C@@H](OC)C1 1301482960 GJILHNQQCHJLBJ-CYBMUJFWSA-N 423.315 1.573 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC2(O)CC(OCC)C2)C1 1301553254 IDBGHEFWLCYVSC-SHPPYHEDSA-N 400.483 1.446 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnc(C)s2)C1 1301558762 YFVTUTRWCDXGGB-GJZGRUSLSA-N 423.564 1.775 30 10 HDEE C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1305589423 HYSZXWIHIRMOFE-VIFPVBQESA-N 409.229 1.978 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1C[C@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1308160934 FBSXFWSMXFNFDB-RRCSTGOVSA-N 409.474 1.871 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 1309487052 BXOFILKEVFABIH-LLVKDONJSA-N 417.406 1.106 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C1CCOCC1 1309703772 XJEZZHYVQAQCPQ-AWEZNQCLSA-N 400.884 1.415 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)cn1 1312302142 BWBKSGPVVXLPOS-OAQYLSRUSA-N 418.501 1.976 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CCOc3cccc(OC)c3)CC2)C1 1313293369 ZDEFDJFRAQJTGH-LJQANCHMSA-N 400.523 1.499 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@H]2CCCCS2(=O)=O)cc1 1316530192 HCLQDGWNXXHWCN-QGZVFWFLSA-N 401.492 1.621 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2OC)C1 1325228750 QWKDTTLUIVXYGL-OAHLLOKOSA-N 418.537 1.813 30 10 HDEE C=C(C)Cn1c(-c2ccco2)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 1342598024 QTCZFKPLMMBXTF-UHFFFAOYSA-N 400.483 1.095 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@@H]1C(C)(C)C 1358938651 HEOZOIOCXJYVEN-JYJNAYRXSA-N 411.572 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(C)COCCO1 1358981242 BOVBGFABOJLBGK-QHCPKHFHSA-N 408.502 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCOC[C@@H]1C 1358985128 PXHHAPMFFCPHPY-YESZJQIVSA-N 407.540 1.024 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1359133519 UENCBSZJERNREX-OALUTQOASA-N 407.559 1.922 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(N)=O)C1 1359183230 GMMVBHKNOGFKGX-UONOGXRCSA-N 412.560 1.192 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1359261713 SSZZAOHIXHQGNH-UHFFFAOYSA-N 424.484 1.909 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2ccc([N+](=O)[O-])cc2C1 1359301461 ZAFXABCBZBHLSM-OAHLLOKOSA-N 412.450 1.555 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1359318627 IZFIJTUEDXCMJQ-WMZOPIPTSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCOCC1 1359335866 XGOCUAQPIZEIJG-UHFFFAOYSA-N 410.471 1.434 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCc2ccccc2C1 1360247568 BTHQQLPWKSPEST-IBGZPJMESA-N 423.521 1.203 30 10 HDEE CC[C@@H](NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)C(=O)N1CCOCC1 1445242610 OVEQIHWGEDIWKW-GOSISDBHSA-N 416.327 1.661 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1451177899 HKDQLPHWKKISHK-MSOLQXFVSA-N 420.487 1.114 30 10 HDEE CCN1CCN(CC(=O)N(Cc2cccc(C(F)(F)F)c2)[C@H](C)C#N)C(=O)C1=O 1451969070 FDKKEYRAEDKMOU-CYBMUJFWSA-N 410.396 1.637 30 10 HDEE N#Cc1ccncc1C(=O)N1CCC(n2nncc2I)CC1 1453429402 JMPZCGYZLDOTMW-UHFFFAOYSA-N 408.203 1.627 30 10 HDEE C[C@H](CC(=O)N1CCO[C@@](C)(C(F)(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1454976506 QIMHRVSLBCLICK-BDJLRTHQSA-N 419.425 1.684 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)nn1 1464228132 KDHIPELLPHMMIV-GOSISDBHSA-N 403.508 1.578 30 10 HDEE C#CCN(C(=O)c1cc(Nc2nc(C)cc(C)n2)ccc1O)[C@@H]1CCS(=O)(=O)C1 1464388380 SPCYHKXHLAZSOW-MRXNPFEDSA-N 414.487 1.805 30 10 HDEE CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H](C)C1 1465797903 AYTZTMBGJSKPJU-XXGLHCKMSA-N 404.511 1.852 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1471391011 WUXYZSIXMNPTBH-ZHRRBRCNSA-N 421.538 1.822 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1 1471528843 ZFYABUXBJGMDJO-FQEVSTJZSA-N 408.483 1.966 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@]3(CO)C2)n(-c2ccccc2)c1C 1473833037 RDFDOZPBEDWYBZ-HSZRJFAPSA-N 423.517 1.283 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3sccc3Br)C[C@H]1CS(=O)(=O)C2 1479185862 VLPVKHXGOGKVCW-IINYFYTJSA-N 418.338 1.633 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCO[C@@H](C#N)C2)CC2(CCOCC2)C1 1479296624 GWCDZBLVASKDAE-CVEARBPZSA-N 408.499 1.727 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CC(C)C)n1Cc1nnn(C)n1 1504873158 BYOMUVBRGFDPAN-UHFFFAOYSA-N 409.498 1.573 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC[C@H]1C 1504962860 SSRFVXYYWBWLMM-QZTJIDSGSA-N 420.558 1.853 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(CC)ns2)CC1 1507593309 YWOKIDRLUNDJQL-HNNXBMFYSA-N 401.540 1.936 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1nc(C)cs1)[C@H]1CCS(=O)(=O)C1 1507631895 GYJJZIIKHDNRDL-CABCVRRESA-N 421.548 1.222 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1507686516 AQBRJEALOLRBAC-UHFFFAOYSA-N 401.272 1.854 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1507842980 GCQQKZZCMQCFCI-UHFFFAOYSA-N 411.572 1.999 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1507966974 DZUHOVAGSDJXDH-MOPGFXCFSA-N 405.543 1.533 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1507980260 FVDPNQWJAXARQD-XGCWNURASA-N 422.576 1.729 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508086423 YWGXKYUDCRDADV-CVEARBPZSA-N 416.551 1.799 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1508107286 ZHELSTYOXBFLOO-KRWDZBQOSA-N 405.524 1.718 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1508422183 HVRYNVDVMJRKEV-ZBFHGGJFSA-N 422.468 1.814 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCS(=O)(=O)N1CCSCC1 1521019053 GOPXWZHERJUTJJ-UHFFFAOYSA-N 418.338 1.429 30 10 HDEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 1528521341 RXKHLUXUQFOVTH-UHFFFAOYSA-N 402.447 1.758 30 10 HDEE Cc1oc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 1528682752 KJXMVCFDGULYHU-OAHLLOKOSA-N 401.444 1.789 30 10 HDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)COc1cccc(Br)c1C#N 1534943706 DTCUMJCIUASYAD-RISCZKNCSA-N 411.252 1.879 30 10 HDEE CC(C)(C)OC(=O)COc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1537005736 LQAUKZIDFKWJLQ-MGPUTAFESA-N 420.487 1.417 30 10 HDEE CSc1nc(O)c(C(=O)NCC2(S(=O)(=O)NC(C)(C)C)CCC2)cc1C#N 1537950567 YPJZPFOIFPSDPA-UHFFFAOYSA-N 412.537 1.751 30 10 HDEE C#CCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1539141664 XEFORXZJZZUWPV-FGZHOGPDSA-N 417.554 1.645 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1539155174 PMCBTNFMYPOVFH-CQSZACIVSA-N 407.927 1.949 30 10 HDEE C[C@]12COC[C@@H]1CN(C(=O)C1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1539183636 GZDACYHJVOWQHH-PXNSSMCTSA-N 403.504 1.454 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1539977028 IINCRQUDDPLJJK-MSOLQXFVSA-N 402.543 1.637 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1540074532 ZJMVZKQDNSMRSO-OAHLLOKOSA-N 406.508 1.868 30 10 HDEE C=CCN(Cc1ccccc1)C(=O)c1[nH]n(-c2nc(C)cc(C)n2)c(=O)c1CCO 1540553664 CIXDYVXBZOOPPL-UHFFFAOYSA-N 407.474 1.936 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C(=O)c3ccco3)CC2)c1 1540624328 WRBBYFKIXMQWIB-UHFFFAOYSA-N 419.434 1.751 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1540676666 IZTQWAALHMNYRJ-OALUTQOASA-N 419.522 1.664 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1540867208 OHFIXYOOGDBZDV-KRWDZBQOSA-N 417.477 1.589 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCN(CC)CC3)nc2)C1 1540884089 JYCXHXQWWMYLST-HXUWFJFHSA-N 411.554 1.953 30 10 HDEE Cc1nccnc1CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1542983684 APDXGEAYGWJIMW-JOCHJYFZSA-N 416.489 1.860 30 10 HDEE CCO[C@H]1COCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543120713 CYUOCXTXHMRRKE-HKUYNNGSSA-N 421.519 1.223 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 1544636684 PROBQAGQMXXYEA-RDJZCZTQSA-N 415.494 1.414 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCSC1 1546579048 DSODQWKMHGGGEI-OXQOHEQNSA-N 412.519 1.400 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1547312981 GURODACQURENJT-HOTGVXAUSA-N 410.434 1.409 30 10 HDEE Cn1cc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cn1 1554336589 GLUJKSHYHNPMPR-QFIPXVFZSA-N 418.505 1.885 30 10 HDEE COCC[C@@](C)(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1555428122 BRDBOHJFXBJWKX-VQTJNVASSA-N 404.515 1.318 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)C1 1555773290 BAOYDLXURNSTOJ-GOSISDBHSA-N 410.478 1.291 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CCO1 1555993501 PHFUEVIFMALBCQ-QZTJIDSGSA-N 416.526 1.694 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CCN(c3cccnn3)CC2)s1 1556200585 YGJJFGSGLLFYGS-UHFFFAOYSA-N 421.548 1.330 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](O)CN2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 1557125698 PCNYCIUAXFTSAW-GOSISDBHSA-N 402.344 1.871 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC2CC2)cc1)C(=O)OCC 1557933863 BSFPFFZCJZMVJQ-HNNXBMFYSA-N 400.884 1.931 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc2c(s1)CCC2 1558259979 GZNNVGBOOBDLEL-LBPRGKRZSA-N 404.517 1.529 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC[C@@H](Cc3nn[nH]n3)C2)CCCN1C(=O)OC(C)(C)C 1558345969 KHJWKVHRHPMCLR-YWZLYKJASA-N 402.499 1.774 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)cc1 1558416752 PBGJVGRERUUOIE-NVALYEJGSA-N 408.520 1.853 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1564958173 XUALSDDLGONTJS-YOEHRIQHSA-N 413.927 1.947 30 10 HDEE C#C[C@H](NC(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)C1CCOCC1 1565105560 IJUJQYJPSVIJLK-KRWDZBQOSA-N 418.498 1.298 30 10 HDEE COC(=O)[C@H](CC(C)(C)C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1570674153 RVQXDVKOKHTMJV-AWEZNQCLSA-N 409.508 1.599 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H](C(=O)OC)CC[C@@H]2C(=O)OC)c1 1584747263 CCGZECRGBZNUFK-NVXWUHKLSA-N 421.471 1.050 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1587593023 HKRVISQFHUOUKX-UONOGXRCSA-N 422.942 1.733 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1C#N 1587744180 LGTBLKKFAHNMTP-BRWVUGGUSA-N 419.503 1.615 30 10 HDEE C=CC[C@@]1(C(=O)NCCC(=O)NCCC(=O)OC)CCCN1C(=O)OC(C)(C)C 1587838943 MSAZBJKKRMNPPY-FQEVSTJZSA-N 411.499 1.518 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C(=O)OC)c1ccccc1)c1cc[nH]n1 1587839924 RHUOLGNJGIJKKN-QGZVFWFLSA-N 402.407 1.066 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587974909 FNZLIJXCRCQLBC-LJQANCHMSA-N 409.538 1.661 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588090231 ULKZLHOCUCXBCH-BWAGFHJFSA-N 414.506 1.341 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCOCCS(C)(=O)=O 1588117253 DBIRKVXLHBPUDA-UHFFFAOYSA-N 400.504 1.388 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(O)CC(OCC)C2)CC1 1588884968 PZMHJKNDSJQKNW-UHFFFAOYSA-N 403.527 1.297 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccn1 1589068895 FXKYSVRPEQHCNU-HNNXBMFYSA-N 405.549 1.578 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1593873546 ZPMMSQPNTIUZDM-CQSZACIVSA-N 420.861 1.928 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)OC(C)(C)C1 1595466753 MPRFHFUXALNZDN-AWEZNQCLSA-N 406.531 1.502 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)N[C@H](C)CCC)C1 1595536644 DBQGYWRUVTYLAQ-WBVHZDCISA-N 402.543 1.979 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1608213800 UWVDUAPTLDYICH-BMRADRMJSA-N 417.514 1.425 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C3OCCO3)C2)s1 1611224475 UEYSIXSYUDEFAR-ZDUSSCGKSA-N 400.522 1.366 30 10 HDEE Cc1ccc(C(=O)NCCn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cc1 1611977881 GRNGJYLHNUSUKW-NRFANRHFSA-N 422.468 1.859 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCSC1 1612877580 CPCXPWOTNXPEQU-VLIAUNLRSA-N 412.519 1.352 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2nc3c(s2)C[C@@H](C)CC3)C1=O 1617559204 TYGWTVSASYIDQN-LBPRGKRZSA-N 404.492 1.593 30 10 HDEE CN(CC1CC1)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1618059284 QHSZDZWSLRTCPG-FMQUCBEESA-N 407.478 1.637 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1623669256 LTKNOPZXTAAOGS-APWZRJJASA-N 420.391 1.413 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccc(Br)cc1 1624137321 HACZIXVGWJZQTQ-RYUDHWBXSA-N 405.212 1.144 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 1625188100 JZPALKUXEGTGEV-KRWDZBQOSA-N 401.529 1.615 30 10 HDEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2cnccc2C#N)CC1 1625327064 LNCLIGCLHMAFFW-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)N(CCC#N)CCC#N 1625385353 SUKHZBQYROUZCY-ARFHVFGLSA-N 424.523 1.313 30 10 HDEE N#CCNC(=O)CNC(=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1627009915 BPSIJQQXLDXWSD-UHFFFAOYSA-N 419.235 1.585 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1)S(=O)(=O)C1CCOCC1 1627790957 VGPDDJHRGPNETQ-CRAIPNDOSA-N 405.520 1.578 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c(Br)cc2F)CC1 1628146769 POTVPMVFKUOBON-UHFFFAOYSA-N 414.250 1.625 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC3(CC2)CNC(=O)C3)C1 1629137482 FBEAUDPGRRTMRS-UHFFFAOYSA-N 417.307 1.886 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1629213405 XSGYPLLMEVOMAH-OAHLLOKOSA-N 403.236 1.295 30 10 HDEE COC(=O)C[C@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1630200308 LLTSWFTYBWOACU-WZHMAMEKSA-N 421.494 1.564 30 10 HDEE C#CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1632035267 QWJXYJATDCVHLI-GOSISDBHSA-N 420.512 1.249 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnc(-c3cccc(Cl)c3)s2)CC1 1636480059 KFWXEHHRGSDZCA-UHFFFAOYSA-N 424.935 1.689 30 10 HDEE Cc1ccc(CNC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 1638298617 AZCFBKFZZDSTJA-QGZVFWFLSA-N 407.434 1.933 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1=O 1640995898 VJOPNCBYAYKSEW-VQTJNVASSA-N 409.534 1.992 30 10 HDEE C#CC[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC)C(=O)OC 1642410364 BMQYUUWBXMJFCB-GOEBONIOSA-N 416.503 1.926 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cccc3ccccc23)CC1 1642589423 KDEWLEFHWNNSAJ-UHFFFAOYSA-N 400.504 1.254 30 10 HDEE C#CCONC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1645285438 JLALBWCMHRTDCC-LJQANCHMSA-N 407.426 1.450 30 10 HDEE COC(=O)[C@H]1CN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C[C@@H]1C(=O)OC 1648605540 XWZVHDDSIRKMOU-ROUUACIJSA-N 401.463 1.444 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@H]3C[C@H]3c3ccccc3OC(F)(F)F)C2)c(=O)nc1O 1648790490 KQVLMYPMYHIXMO-KBPBESRZSA-N 420.347 1.906 30 10 HDEE O=C(Cc1ccc(S(=O)(=O)C(F)F)cc1)NC[C@H](O)C(F)(F)C(F)(F)F 1650957538 DLFTXXCCJWXYHE-VIFPVBQESA-N 411.295 1.900 30 10 HDEE C#CCC1(NC(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CCOCC1 1652144162 IRTCGAHCUDTWRL-UHFFFAOYSA-N 413.503 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@H]2C[C@H]21 1653120512 KOGNGBFGWQKMKO-JKSUJKDBSA-N 420.491 1.057 30 10 HDEE CCCOc1c(Cl)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1653759719 HSSLYNCQTVFYGD-UHFFFAOYSA-N 418.837 1.968 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 1655052610 WTDWPVOCLTZTJE-QGZVFWFLSA-N 423.535 1.900 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)OC3CN(C(=O)OC(C)(C)C)C3)CC2)c1C#N 1663408343 DJFHKSAMSAZENT-UHFFFAOYSA-N 404.471 1.478 30 10 HDEE C#CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)n1cccn1)[C@H]1CCS(=O)(=O)C1 1678516532 XMUDQYUMWMHKGX-ZWKOTPCHSA-N 420.922 1.958 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCn3c(CC4CC4)nnc3C2)C1 1681226631 JHNFGFVFRCVPRS-GJZGRUSLSA-N 415.498 1.515 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1 1681516137 PNEJGHISSGTSKY-JFOKYPEXSA-N 400.504 1.749 30 10 HDEE C#CCN(C(=O)N[C@H](C)C(=O)N1c2ccccc2C[C@H]1C)[C@H]1CCS(=O)(=O)C1 1682594169 VJXRKQIOFWKDGS-INMHGKMJSA-N 403.504 1.185 30 10 HDEE C#CCC1(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCOCC1 1685940769 DWROQUBNNNQWEB-PMACEKPBSA-N 410.518 1.457 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCCC1 1689954466 ZUSPHMYZPQJRDW-UHFFFAOYSA-N 405.510 1.866 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1690022666 OAHIVCXYHAZMTO-WOJBJXKFSA-N 406.534 1.836 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC(=O)Nc2ccc(F)cc2)CC1 1690120352 RVDSTYVTMANLQS-UHFFFAOYSA-N 421.480 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCN2CCCCC2)CC1 1690142185 JRQWIUITWDPVQW-UHFFFAOYSA-N 423.565 1.735 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(N)=O)C1 1690218327 CGVIVWLZFHQASV-LBPRGKRZSA-N 411.304 1.124 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1690532510 PJZBXGQRUWYQCJ-IRXDYDNUSA-N 404.559 1.911 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1692664914 UJQIKIWGZZBHDS-INIZCTEOSA-N 404.515 1.725 30 10 HDEE COCCCN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1\N=CC=CC1=O 1697984050 XBRFHVWYSOIOEP-HTXNQAPBSA-N 413.482 1.283 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccn(Cc2ccccc2)n1 1705551182 IHZRIJZFGLQNGX-GOSISDBHSA-N 424.530 1.543 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1705553080 KXRJKJMNPLSWBI-KRWDZBQOSA-N 410.478 1.300 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2CCN(CC)CC2)CC1 1705637814 MVUIVVHFTACVJP-UHFFFAOYSA-N 422.581 1.123 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1705724777 OTYINYWTWBMJSJ-GJZGRUSLSA-N 413.478 1.876 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1705794707 QZSNQUPKXISXEW-QGZVFWFLSA-N 418.542 1.344 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1705825074 IUYFRQPITAPHGR-UHFFFAOYSA-N 413.482 1.220 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1705825083 JBZDRKAWWAJQAX-QGZVFWFLSA-N 413.526 1.834 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1705852251 XWWOYPKAAFQHJP-OXQOHEQNSA-N 424.567 1.908 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nnc(C)s2)C1 1705928657 GZSXEZMFPJHVRL-OAHLLOKOSA-N 417.539 1.584 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2ccccn2)CCOC1 1706679238 IXOPXUDSTWXVLW-GHTZIAJQSA-N 412.494 1.685 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1706938406 KIJSAISCDOGTEA-FVJLSDCUSA-N 410.478 1.058 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1706951145 UCXSKSRRICBXRZ-KRWDZBQOSA-N 415.519 1.867 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[S@@](=O)CC 1710697732 INXFMQUIEWJJST-NDEPHWFRSA-N 404.496 1.118 30 10 HDEE CN(C)[C@@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1711003886 GRGCHLGVAXIHQF-RBUKOAKNSA-N 421.546 1.280 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCOC[C@@H]2C)CCO1 1711360350 GTBGIQWNMCADLA-IPELMVKDSA-N 424.505 1.441 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)(F)F 1712565302 CMCGXZQWHGTNQK-STQMWFEESA-N 407.393 1.657 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccoc1C 1719939459 HZEIZWCFXOSXST-XABWRGDLSA-N 401.463 1.157 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1722279684 UGTFRNNDHJTVHY-HUUCEWRRSA-N 421.571 1.555 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1722324714 WVBXLAOXMQSQKD-ZIAGYGMSSA-N 424.552 1.336 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1722357955 BJVHAMFEKSUWJJ-IRXDYDNUSA-N 407.584 1.544 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CC[C@@H]1COCCO1 1722385488 JGMFHRMLRDTOIW-OAQYLSRUSA-N 408.502 1.950 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 1722397054 MFKRXWUGRARNTO-OALUTQOASA-N 417.579 1.375 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC)c1 1722466991 JYHNXTUSXKMJNG-KBXCAEBGSA-N 405.528 1.145 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1722498432 ADMZAIJEXJBNIP-SZVBFZGTSA-N 419.526 1.582 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1722537983 SDTBXCVICVGZKQ-APWZRJJASA-N 412.556 1.778 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722620857 VLVUTENLQCWCFT-KRWDZBQOSA-N 416.526 1.194 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1722696825 FKHRWKKYMDGAIF-UHFFFAOYSA-N 408.506 1.729 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2n[nH]c(C)n2)C1 1722710660 MRSJEYBGJKSVBX-OXJNMPFZSA-N 417.514 1.381 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCCN1CCCCCC1=O 1722861171 DWASKTLCXYOYAY-INIZCTEOSA-N 403.531 1.805 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2conc2COC)CCOC1 1728795476 QGWKJQOFSYVGRO-MOPGFXCFSA-N 420.445 1.555 30 10 HDEE Cn1cnc(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)n1 1729590924 HOININFNIVHRFD-SFHVURJKSA-N 400.393 1.615 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCNS(C)(=O)=O)c1 1740561487 GDWFKRFCOBUWGP-UHFFFAOYSA-N 418.523 1.007 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(OC)cc1 1740599972 HFLQVSRYEICNJA-LSDHHAIUSA-N 421.523 1.434 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)nc2ccccc12 1740639030 PJZFSNSYWUQGHY-LJQANCHMSA-N 414.469 1.907 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740793621 UVMSCENWGTXKLC-YESZJQIVSA-N 405.499 1.206 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(CC)s2)CC1 1740818768 UGMGLOCGRBKKGU-LBPRGKRZSA-N 411.557 1.507 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)NC2CCCCC2)CC1 1740825336 MRJZCTLZWGYTNE-INIZCTEOSA-N 421.567 1.786 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1740867608 PZSUFMKUJULDEG-UHFFFAOYSA-N 404.559 1.931 30 10 HDEE C=CCCCn1c(CC)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1740877342 WVMIIOHHPJEIMB-UHFFFAOYSA-N 402.543 1.747 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1740951249 DNFUWKPPPFUCNB-SJORKVTESA-N 401.515 1.504 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N(C)Cc1cccc(C(N)=O)c1 1740985594 JLLFKYLDQBZVOW-UHFFFAOYSA-N 405.524 1.738 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1744096605 GLINUEQSZSYBKI-OAHLLOKOSA-N 419.530 1.230 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(C(N)=O)CCCC2)C1 1748315276 AGBZECMHFCWMRQ-QGZVFWFLSA-N 422.489 1.862 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1748730372 KFGAQWOKXKZPOI-UHFFFAOYSA-N 424.571 1.128 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1748745377 LLXVSQVQTNJILW-WIYYLYMNSA-N 421.549 1.742 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)OC)c1 1748844058 NIQNDBYRHNMGEE-QGZVFWFLSA-N 406.446 1.529 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOc2ccccc21 1748846885 LTQLGRIVVDRVLI-ZWKOTPCHSA-N 424.526 1.819 30 10 HDEE COc1ccccc1-c1nnc(N(C)[C@H](C)CC#N)n1CCC[C@@H]1NC(=O)NC1=O 1748974756 VFIFQZRBNITHGY-HIFRSBDPSA-N 411.466 1.680 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N[C@H](C)CC)CC1 1748993518 APJJIHJXBVIYMX-GOSISDBHSA-N 409.538 1.324 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@H]2CCOC2)CC1 1748993621 FTLTVGDUDDOEPU-KRWDZBQOSA-N 400.552 1.816 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H]1CCOC1 1749019971 HHODUHTXCRDLOV-HNNXBMFYSA-N 400.508 1.765 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)n(C)c1=O 1749590523 YXYLOYUUMVVVDH-UHFFFAOYSA-N 414.510 1.208 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(CC)Cc1ccc(F)cc1 1749650449 XOIOJWGBNCENQZ-UHFFFAOYSA-N 414.485 1.982 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCCN2CCOCC2)cc1 1750382411 FLGYOGJJKIUGDA-IBGZPJMESA-N 423.521 1.241 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@](C)(O)c1ccccc1 1751930115 GIIMVLKUWZILHG-ZHRRBRCNSA-N 418.505 1.871 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1760114513 NYMIOBGBOFKQLR-LZLYRXPVSA-N 406.490 1.740 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1760185393 WOJDIRZHNVIGHL-MRXNPFEDSA-N 415.519 1.272 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)C(C)C 1760214144 CYXXPARFADPHHX-UHFFFAOYSA-N 407.474 1.909 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCOC2(CCOCC2)C1 1760281633 PEDMAXREGFVGMK-KRWDZBQOSA-N 406.552 1.924 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1760322630 VMWGPDJPFCIJLE-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCc1cccc(C(N)=O)c1)C1CC1 1760476599 ZRJUBZDLZGMYDW-UHFFFAOYSA-N 408.506 1.897 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760524908 NEWNVGYXFDWEHB-MSOLQXFVSA-N 424.505 1.414 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760527778 INIQTACFTBBMMP-PBHICJAKSA-N 403.458 1.962 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)[C@@H]1CC 1760532928 JMRONPQSQAFDJJ-SJORKVTESA-N 424.505 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1760554599 HYNFLYOFGHFVJK-HNNXBMFYSA-N 409.556 1.279 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCc3c(ccnc3O)C2)nnc1C(C)(C)C 1760558094 GFUYKAWMJZEJLH-UHFFFAOYSA-N 405.524 1.840 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCO[C@H]1C 1761020872 TZAJIGLQTVRKMN-LHSJRXKWSA-N 412.494 1.551 30 10 HDEE CCc1nnc(N2CC[C@@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762970902 BAAGJBBZSDUAJT-DNTCVELPSA-N 424.509 1.169 30 10 HDEE CCOCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1768129114 UNSFOAUJCVYWFD-AWEZNQCLSA-N 407.496 1.556 30 10 HDEE COCCOCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1770152081 CGXZVXGVZRHHRC-QAPCUYQASA-N 419.457 1.949 30 10 HDEE COCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771044668 IFQJERHHONXMIM-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)[C@H]1CCN(C)C1=O 1849168263 YALVIPLRYWSCTN-HKUYNNGSSA-N 419.547 1.641 30 10 HDEE CCN(CC)CC#CCNC(=O)CCc1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C 1850098364 DBSVGJMQSJVBGB-SFHVURJKSA-N 408.568 1.254 30 10 HDEE C=CCN(C(=O)c1ccc(CN2CCN(CCOC)CC2)cc1)[C@H]1CCN(C)C1=O 1850379554 KNTIUWWINVLLJL-NRFANRHFSA-N 414.550 1.310 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1852623114 VLEVPVQBUHMWKD-UHFFFAOYSA-N 414.487 1.336 30 10 HDEE N#Cc1cnn2cc(CCCOC(=O)[C@@H]3CN4CCN3CC4)c(C(F)(F)F)nc12 1852659423 WVBRGDSOPKOLRX-AWEZNQCLSA-N 408.384 1.095 30 10 HDEE N#CCC(=O)NCCOC(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)cc1 1852699115 GCYJJRWISRRFCQ-UHFFFAOYSA-N 407.474 1.590 30 10 HDEE CC[N+]1(C)CCC(N(CCCn2ncccc2=O)C(=O)c2cnc(C#N)nc2)CC1 1853486263 ALXBKLNXORWULL-UHFFFAOYSA-N 410.502 1.066 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cn3cncn3)C(=O)C23CCCC3)cc1 1853616414 ZRXOKQYENQBAKH-UHFFFAOYSA-N 408.462 1.212 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)nc2ncnn12 1853681277 XLTLRAZOABRCTE-MRXNPFEDSA-N 409.494 1.789 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1 1854118491 OQLRERWLXWZOJC-UHFFFAOYSA-N 405.476 1.671 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cn2c(C)nc3ccccc32)C1=O)[C@@H]1CCN(C)C1=O 1854282588 LQADYNBOKKLUIJ-MOPGFXCFSA-N 409.490 1.191 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(CC(F)(F)F)c3cccnc3)C2=O)CC1=O 1854993910 CEDQLHKZJQJYOX-HIFRSBDPSA-N 410.396 1.612 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CN(C(=O)OC(C)(C)C)CCO3)C2)CC1 1855016354 WYPIOIGDDXSSMY-QZTJIDSGSA-N 421.538 1.895 30 10 HDEE C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855039452 SLAMDGMOTNVXLH-ROUUACIJSA-N 408.506 1.331 30 10 HDEE CN1CCN(c2ccc(C(=O)N3C[C@@H](CN4CCC(C#N)CC4)CC3=O)cc2)C1=O 1855861331 CJFSNEGOAZVZOV-QGZVFWFLSA-N 409.490 1.783 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)Cc3cccnc3)C2=O)CC1 1855985739 ZSKAESQUSYLFRZ-LJQANCHMSA-N 404.474 1.231 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](Oc3ccncc3Br)C2)CC1=O 1856385473 XVAPDNIXHHJRTN-OLZOCXBDSA-N 407.268 1.586 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)CCc3ccc(F)cc3)C(=O)O2)CC1 1856603216 MBUFQCZAVVJUAD-QGZVFWFLSA-N 423.466 1.671 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@H]3COCCO3)C(=O)C23CCCC3)cc1 1856608420 HWYYHOCRZSETKW-LJQANCHMSA-N 411.458 1.140 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)Cc3cccc(OC)c3OC)C(=O)C2)C1 1856832689 SEFKOEMVUGBLPK-GOSISDBHSA-N 401.507 1.568 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)CC1 1857211973 DXZXSDWYSVDHKZ-IEBWSBKVSA-N 412.490 1.864 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4C[C@H]5C[C@H]4CO5)ccc32)cc1 1857349104 GDMVXDYNMLNSQJ-DLBZAZTESA-N 423.450 1.450 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCC(N(C3CC3)S(C)(=O)=O)CC2)CCC1=O 1857488454 PRGFRSZZEHSKOA-INIZCTEOSA-N 411.568 1.606 30 10 HDEE COC(=O)C[C@@H](N)C(=O)Nc1c(Br)cc(C#N)cc1Br 1865967805 HHGZMTLNWPKGQK-SECBINFHSA-N 405.046 1.912 30 10 HDEE CCc1nc(C2=C(N)N(Cc3ccc4c(c3)OCO4)CC2=O)sc1C(=O)OC 1872725447 JOWRVCNFMQESTA-UHFFFAOYSA-N 401.444 1.933 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1874472849 AAPOCJCRYUJMTA-VXLYETTFSA-N 424.479 1.640 30 10 HDEE CCOc1cc(/C=N/n2cnnc2SCC(N)=O)cc(Br)c1O 1874537623 MWZRWVPTVNWWRP-YAXRCOADSA-N 400.258 1.605 30 10 HDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(OC)c1 1889433758 GHCATADWEQICKG-UHFFFAOYSA-N 415.534 1.576 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)Nc3cccc(C#N)c3)CC2)n1 1889491734 BOKYZKJIXDUBMP-UHFFFAOYSA-N 407.478 1.847 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985770928 AANDDIOWELGZCO-QGZVFWFLSA-N 406.332 1.961 30 10 HDEE C=CCn1ncc(N[C@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043988994 CCRIMLCLUKWUOX-NWDGAFQWSA-N 415.288 1.896 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2082044551 RRVZRAGCNLOHJK-FQEVSTJZSA-N 408.520 1.947 30 10 HDEE CC[C@@H](C(=O)NCCOc1ncc(Br)cc1[N+](=O)[O-])n1cnc(C#N)n1 2087921501 LLNRWKNWUNHLMR-JTQLQIEISA-N 424.215 1.362 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2157039230 PUOHHMMXQIOLDK-LLVKDONJSA-N 403.331 1.370 30 10 HDEE COCCN(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2174780787 YGRKGMLCTPUJIJ-AWEZNQCLSA-N 402.517 1.034 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)c1ccc(C#N)nc1)C(F)(F)F 2174787748 XLFFVSPTWGBNPY-SNVBAGLBSA-N 408.402 1.935 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174788140 BFYUBQJEBZDZON-STQMWFEESA-N 408.471 1.559 30 10 HDEE C#CCN(C(=O)CC[C@H](C)CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180116309 XWPCGZDCSCOCTB-HOTGVXAUSA-N 400.541 1.966 30 10 HDEE C#CCN(C(=O)[C@@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180116853 FPBRLYHNOBWOSV-HUUCEWRRSA-N 418.581 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)[C@H](CC(F)F)C1 2183436982 JXXMGPGLOCYDMQ-CHWSQXEVSA-N 408.471 1.653 30 10 HDEE CC(C)(C)OC(=O)NCCc1n[nH]cc1C(=O)ON1C(=O)c2ccccc2C1=O 2209040011 JBXHSKBOVQYOOJ-UHFFFAOYSA-N 400.391 1.845 30 10 HDEE C[C@H](NC(=O)Nc1nc(B2OC(C)(C)C(C)(C)O2)ccc1Cl)S(C)(=O)=O 2241114175 RBJOYTCBQVYVKF-SECBINFHSA-N 403.697 1.546 30 10 HDEE Cc1nnsc1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267713245 MXNNSXHAHICILG-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1cccc(C#N)n1)NC(=O)OCc1ccccc1 2270502876 ZLSZMCZFVPQEFM-HNNXBMFYSA-N 418.431 1.163 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316072 XJISQJUZNDKASU-ZDUSSCGKSA-N 401.359 1.961 30 10 HDEE CC1(C)C[C@@H](CO)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333866 UHTLZTFMEJEFGZ-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2CCC[C@@H]2O)OC1(C)C 2282334446 BHWAJXADGONVSN-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C=C(CS(=O)(=O)N1CCS(=O)(=O)C2(CCC2)C1)B1OC(C)(C)C(C)(C)O1 2282492584 RQUDGBWZGNQSDH-UHFFFAOYSA-N 405.347 1.157 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@H]32)OC1(C)C 2282500569 ZABGRCUNDXLFOR-CYZMBNFOSA-N 400.331 1.039 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]4[C@H]3CN)cc2Cl)OC1(C)C 2282829966 NNJHRJWSAJWPQF-HOSYDEDBSA-N 418.777 1.668 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(O)(C(C)C)C1 2282832265 MJPHITHRKLYLAV-UHFFFAOYSA-N 401.359 1.747 30 10 HDEE CC[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851908 IYMKJLIXZDGUBS-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N1CC(SC(F)F)C1 2282854557 TVPNOEZJYGRAAL-UHFFFAOYSA-N 409.289 1.048 30 10 HDEE C[C@@H]1CC[C@@](CO)(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883933 HWJXWYMNBCVHBF-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2N=Cc2ccccc2C(=O)O)CC1=O 2329056300 CQTDQZUYOKHFFN-CQSZACIVSA-N 417.491 1.667 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338382014 MSQHPGDVMLJGKR-UONOGXRCSA-N 401.554 1.719 30 10 HDEE CCN[C@H](C#Cc1nccs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c1ccc(S(=O)(=O)N(CC)CC)cn1 26558602 YUFJJFJDFYAJKH-GFCCVEGCSA-N 400.526 1.605 30 10 HDEE NC(=O)C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1cccs1)C2=O)C(=O)O 33589894 MIOXQAJKXLSRJO-XKBFBRDOSA-N 416.411 1.188 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)/N=C(\O)c1cccc(N2CCNC2=O)c1 66002737 WWDFELHWUUGUPM-UHFFFAOYSA-N 409.445 1.758 30 10 HDEE CCCNC(=O)[C@H](O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 95554187 QCSKXRDWWIHQMW-YGIBYLRGSA-N 417.546 1.883 30 10 HDEE Cc1ccc(-n2[nH]c(C)c(/C=c3\cc/c(=C4\C=C([N+](=O)[O-])C=CC4=O)o3)c2=O)cc1 135978572 VOIAKHZXWLEEPN-CUNGHOPLSA-N 403.394 1.654 30 10 HDEE CC1=NN(c2ccccc2)C(=O)[C@@H]1N/N=C1\C(=O)C=C(S(=O)(=O)O)c2ccccc21 137856708 SMWFPWCQIMMAHI-HSDQKXRGSA-N 424.438 1.583 30 10 HDEE N/C(CN1CCN(C(=O)c2cc(Br)ccc2Br)CC1)=N/O 161133170 COEXDWJHADQNGC-UHFFFAOYSA-N 420.105 1.716 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@]2(COCc3cnc(NC4CC4)nc32)C1 247660249 RWUKAUSYUCPYSL-FQEVSTJZSA-N 411.487 1.785 30 10 HDEE CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@](CO)(C(=O)O)N[C@H]3c2ccc(C#N)cc2)cc1 251991534 JHOHWYVOFBZDTJ-QPXQOZNCSA-N 419.437 1.386 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(N3CCCCC3)ncn2)CC1 301266635 UKDCJLYWWOASAX-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2ccc(C#N)c(OC)c2)cc1 427223831 PLEYKDKTNWGFGT-UHFFFAOYSA-N 409.442 1.971 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@@]3(CNC(=O)C3)C2)nnc1-c1ccco1 433959482 UPRYUTCNYOVIFU-LJQANCHMSA-N 401.492 1.945 30 10 HDEE C[C@H]1CCc2nc(NC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)sc2C1 435120587 SIAOUJGOBVLUKT-ZDUSSCGKSA-N 410.503 1.822 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)C1=O 439515486 DHCCLXURLSBFSM-OAHLLOKOSA-N 410.471 1.616 30 10 HDEE COc1cc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)ccc1C#N 460594933 GOKAAVGBILKQIC-UHFFFAOYSA-N 421.500 1.579 30 10 HDEE CNS(=O)(=O)c1ccc([C@H](C)NC(=O)NCCOc2ccc(C#N)cc2)cc1 465753655 LYFPROVWTABRFE-AWEZNQCLSA-N 402.476 1.906 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2cc(C#N)ccc2OCC)n1 471004316 BYYUXGVUBCIKNC-UHFFFAOYSA-N 416.459 1.888 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cccc(OCC(F)(F)F)n3)CC2)c1C#N 472237534 DZIRNCYBAFEBIJ-UHFFFAOYSA-N 408.384 1.899 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)cc1 478309361 MIUVIXUXKXRPJF-CVEARBPZSA-N 410.492 1.334 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 478463825 WLJHBDNCDHDCMH-UHFFFAOYSA-N 422.503 1.291 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](Cc1ccccc1)CN(C)C 480594199 UXZFXWUHPLPUBD-VQIMIIECSA-N 414.531 1.514 30 10 HDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)o1 480936052 QSVZNJRUWNKURR-OAHLLOKOSA-N 416.499 1.556 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(C(C)=O)C[C@@H]2C)c(C#N)cn1CCOC 481418755 ZCDXPGNTAADDLV-ZDUSSCGKSA-N 405.455 1.267 30 10 HDEE C[C@@H]1OCC[C@@H]1N(CCO)CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 483308578 NXBCBIZCOFSXLF-FFZOFVMBSA-N 404.486 1.006 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)N[C@H](C#N)C3CC3)CC2=O)cc1 505966590 SNSVCFZMQBAXIU-MAUKXSAKSA-N 418.519 1.488 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 506355610 MKSFCSLHALEMFC-JOCHJYFZSA-N 420.554 1.651 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(n2cc(C(=O)OC)nn2)CC1 508897424 XLCMQEISXYWQLD-UHFFFAOYSA-N 408.466 1.670 30 10 HDEE Cc1nc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)no1 512505039 WFJPMLPQMCHXLC-UHFFFAOYSA-N 403.464 1.309 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1S(=O)(=O)NCC#N 514444943 QUYCHTAJPNDYAI-SJLPKXTDSA-N 421.519 1.094 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 518918253 ZEEFHCYFSSBLII-UHFFFAOYSA-N 405.458 1.806 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccccn3)c2=O)cn1 523580145 SKZNPWKKURIGIC-UHFFFAOYSA-N 405.483 1.383 30 10 HDEE N#CCN1CCC(CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1 543885967 JMMRDWLNOCWJEG-UHFFFAOYSA-N 407.268 1.745 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCNC(=O)c3n[nH]c4ccccc34)CC2)n1 544864423 DLIMQJACVFDYJP-UHFFFAOYSA-N 403.446 1.298 30 10 HDEE Cc1ccn(-c2ccccc2CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 577311631 HUFNOKFHXOSBIZ-UHFFFAOYSA-N 409.471 1.647 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2cc(F)ccc2N2CCOCC2)c(F)c1 586861921 DFKSNSSSVHRLER-UHFFFAOYSA-N 414.412 1.606 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1sccc1C#N 590248196 BAMLYOPOBSEAOR-HNNXBMFYSA-N 408.443 1.214 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NCc3cnc4ccc(C#N)cn34)cn2)CC1 610947204 IRINDMRUUMFSPG-UHFFFAOYSA-N 411.491 1.295 30 10 HDEE C=CCOCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12 685792539 LNNICPLKEWFAJJ-CYMYHSCOSA-N 406.482 1.785 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccc(F)cc1 730717441 MQJJCRBOFSRLQJ-ZDUSSCGKSA-N 416.438 1.322 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NC[C@H](c1cccs1)N1CCCC1 732440999 BIBLHQJFLFDNDA-IAFNSTAXSA-N 403.508 1.711 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1C1CC1 732652262 SYGNELMVRSPTMT-MAUKXSAKSA-N 420.510 1.425 30 10 HDEE COc1ccc(OC)c(-n2nnn(CN3CCN(C4CC4)[C@@H](C#N)C3)c2=S)c1 732666391 RLRKXLZWOCCUTQ-AWEZNQCLSA-N 401.496 1.445 30 10 HDEE N#C[C@H]1CN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CCN1C1CC1 741187966 DEFQJRYJHJJEDK-INIZCTEOSA-N 419.503 1.210 30 10 HDEE C[C@H](OC(=O)c1ccc(CC#N)cc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 758688512 GDTQLKIEPLXHSY-KBPBESRZSA-N 415.471 1.823 30 10 HDEE Cc1cc([C@H]2CN(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)CCO2)ccc1F 764410019 YMGQTWLXQPYASK-WQYLVOBCSA-N 402.426 1.743 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768486652 NQGBGTPEZYUSNV-CQSZACIVSA-N 420.426 1.698 30 10 HDEE C#CCN(C(=O)NCCc1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 774164082 OJXNHLHICVDKDY-NSHDSACASA-N 405.339 1.885 30 10 HDEE Cc1nc([C@H](C)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)sc1C(=O)O 779441345 WBLLOYIWWSHFMM-VIFPVBQESA-N 408.461 1.066 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)[C@]1(NC(=O)OCc2ccccc2)CCOC1)C1CC1 780255427 KNTWPJNSCDIILS-SFTDATJTSA-N 415.446 1.424 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2cccc(N3CCOCC3)c2)c1 783465484 ZGGDFVRVSPQUSD-UHFFFAOYSA-N 406.442 1.198 30 10 HDEE C[C@H](NC(=O)CNC(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 784615217 UPNUVLLYZHACIQ-RNODOKPDSA-N 413.405 1.268 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 788819905 OFZCOUTUBOYXTC-UHFFFAOYSA-N 415.494 1.088 30 10 HDEE CCC(=O)NCc1cc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)ccc1OC 796780590 NIYKISSOIIBPKW-UHFFFAOYSA-N 402.432 1.107 30 10 HDEE Cc1cc(C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c(C)n1NC(=O)c1ccccc1 798742298 KWUSHYYHIDKKAC-OAHLLOKOSA-N 420.429 1.939 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 803524068 VWGWNRRUAQSPGL-QGZVFWFLSA-N 402.472 1.665 30 10 HDEE CNC(=O)[C@H](NC(=O)COC(=O)C1(c2cc(F)cc(C#N)c2)CC1)c1ccccc1 803922608 BTNUVBWWOZAFQE-LJQANCHMSA-N 409.417 1.876 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(OC)ccc2Cl)N(Cc2cnn(C)n2)C1=O 807939329 NTDDRWBCGBEBKA-AWEZNQCLSA-N 422.898 1.745 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccc(F)cc1 812526408 JKLOVVSBLFTMHD-IBGZPJMESA-N 402.447 1.951 30 10 HDEE C#C[C@H](NC(=O)NCCC(=O)N1CCN(c2ccccn2)CC1)c1ccc(F)cc1 813051359 LSQOSTCLTLQCIS-IBGZPJMESA-N 409.465 1.933 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C2)n1 856710966 XORRVKWVKHXUCZ-WOJBJXKFSA-N 406.483 1.790 30 10 HDEE C#CCN(C(=O)NCc1ccc(-n2cnc3ccccc32)nc1)[C@@H]1CCS(=O)(=O)C1 1116473481 KCPXNOCYKXJYAC-QGZVFWFLSA-N 423.498 1.752 30 10 HDEE C=CCCn1cc(C(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)nn1 1124412164 QPNYYRGHMOLDOY-UHFFFAOYSA-N 403.487 1.802 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)CC3CC3)cc2)n1 1128570493 NGKOFNBCYXXNIJ-UHFFFAOYSA-N 415.515 1.989 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccc(F)cc1 1134056365 OTTCHIGXNOPDJI-DJJJIMSYSA-N 402.451 1.584 30 10 HDEE Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)NC1(C#N)CCN(C)CC1 1136630592 UJGCYSXICBZWIF-UHFFFAOYSA-N 407.430 1.711 30 10 HDEE Cn1ccc(N2CCC[C@H](NC(=O)CCCC(=O)Nc3ccccc3C#N)C2=O)n1 1136998016 AIKSMWKRKPJNFK-KRWDZBQOSA-N 408.462 1.712 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 1137891711 CXICKSWXRFTWMY-IHRRRGAJSA-N 403.907 1.774 30 10 HDEE O=C(NCc1cccc(Br)c1)NC1(C(=O)NCC#CCO)CCCC1 1139145947 UMDUPBDCIDXFMG-UHFFFAOYSA-N 408.296 1.673 30 10 HDEE C=CCCn1cc(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)OC)nn1 1140430405 QDVXWPJZHYGVIS-HNNXBMFYSA-N 423.267 1.967 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H]4CCNC(=O)[C@H]43)C2)C1 1153207155 CAGOPHHGDZHTRG-AEBKOIAPSA-N 416.522 1.900 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC1 1158516105 JYGUFNJBSSEOIU-MOPGFXCFSA-N 405.539 1.695 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 1190504288 OWKBVAFIOGHSKJ-PQAPVRDISA-N 411.476 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CCCC[C@H]2NC(=O)NCC(=O)NCC#N)CC1 1227977123 WGFBSZMGDMCJBP-OAHLLOKOSA-N 407.515 1.885 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H](Cc2ccccc2)c2ccccn2)c(=O)nc1O 1256099596 TXOHYWULUGJCGJ-SFHVURJKSA-N 404.430 1.499 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCn2cncn2)c1 1286312370 UZPYRKJTGRFVAL-GOSISDBHSA-N 420.477 1.478 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1286349276 GZMUPHSWNAQAST-KRWDZBQOSA-N 421.567 1.288 30 10 HDEE C#CCCCn1c(N2CCC(CC(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1286359858 LJBZLHUFLBATCO-OAQYLSRUSA-N 403.527 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1COCCO1 1286467108 RAQJTQQWZRATFN-SFHVURJKSA-N 410.478 1.018 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)CCN1CCOCC1 1286508305 QFJLNQBZZWQEJZ-UHFFFAOYSA-N 420.608 1.769 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCCN(CC)C(=O)C1 1286510965 DSKXVSPXZZCIGE-UHFFFAOYSA-N 415.567 1.565 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC)C1 1286687199 HIGBTAAOTIEWEG-CVEARBPZSA-N 409.556 1.499 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286713009 RIVHYUIWFOUEEB-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1286753531 DNFJRZMWJVMLOT-OAHLLOKOSA-N 415.523 1.763 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1286829831 LOJJCRMEXQMFQQ-UHFFFAOYSA-N 402.524 1.554 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnccc1OC 1297188410 KZQGKYPIWXHMCI-UHFFFAOYSA-N 421.461 1.801 30 10 HDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1297592873 VGDBXMKUYUUOHG-IBGZPJMESA-N 424.505 1.887 30 10 HDEE CN(Cc1cnccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1298411099 VWKFJVSBIIDZLP-ZPHPHTNESA-N 419.449 1.226 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1300637566 FVDIFHOCVOMJSO-UHFFFAOYSA-N 417.477 1.633 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1300952352 SLMJDKDDLYASLQ-UONOGXRCSA-N 409.537 1.791 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C[C@@H]1CCOC1)C1CC1 1300989543 PKQFSFJSPSGDGJ-DLBZAZTESA-N 424.567 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301489920 GTUAXPKLXRRLLV-HNNXBMFYSA-N 416.869 1.542 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(F)cc(F)c1 1301497903 HCQXDZVYEQSRRN-HNNXBMFYSA-N 404.421 1.446 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@]1(OCC)CCOC1 1301520811 PVRMSUBXFWQABK-JXFKEZNVSA-N 407.515 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1scnc1C 1301588235 DQMLSQGJVYYUDC-AWEZNQCLSA-N 411.553 1.784 30 10 HDEE CC(C)c1cc([C@@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n[nH]1 1303322414 XOEFKSCCFPGJAA-CQSZACIVSA-N 415.519 1.978 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1303335325 TUNHCTHMKUNYHW-GOSISDBHSA-N 423.477 1.817 30 10 HDEE C=CCN(C(=O)Nc1cc(NS(C)(=O)=O)ccc1OC)[C@H]1CCS(=O)(=O)C1 1310768059 VPUMCWFOBGVRLA-ZDUSSCGKSA-N 417.509 1.274 30 10 HDEE C#C[C@H](NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1)[C@H]1CCCO1 1312541641 LLJXWNLOIINWSI-BPQIPLTHSA-N 419.522 1.531 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1316536294 GJAWJGKLUZHGRL-HOTGVXAUSA-N 420.539 1.184 30 10 HDEE Cn1cc(-c2ccc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)cc2)cn1 1322446585 SDFVIPNGMGVZJI-IBGZPJMESA-N 417.494 1.516 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CC[C@H](OC)C2)C1=O 1326177796 QXLFVBPFZOBYRF-KKUMJFAQSA-N 404.492 1.421 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cn1 1349806664 NYKXJHQSNZFTEN-UHFFFAOYSA-N 410.908 1.744 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1357282190 FESGZCCSNXCGPF-UHFFFAOYSA-N 417.491 1.481 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1358876492 KXIBHYPXPNZWMS-HUUCEWRRSA-N 418.519 1.855 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1358955681 QXMLMJMGDXZBJI-DLBZAZTESA-N 422.551 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1358974487 GYPNQZGZUIBVOT-LJQANCHMSA-N 422.514 1.314 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccccc1Cl 1358977454 MTSSFNKKGDBODL-LAUBAEHRSA-N 411.893 1.863 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1COCCO1 1358995694 BSISPIZOOUPUTR-IBGZPJMESA-N 404.474 1.395 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1359023413 JWMGXVCEKNEQLS-ZDUSSCGKSA-N 405.409 1.091 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@H]2C[C@@H]2C)CC1 1359047302 AEBDOKRHSXNDJR-DKIMLUQUSA-N 401.511 1.549 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359134869 JZSHBJXCSGJBRU-GOSISDBHSA-N 419.551 1.864 30 10 HDEE C=CCN(C(=O)c1cc2c(cc1Br)OCO2)[C@H]1CCS(=O)(=O)C1 1435067938 CTEUGKZPDQUKMS-JTQLQIEISA-N 402.266 1.993 30 10 HDEE CN1C[C@@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)N(C(=O)OC(C)(C)C)CC1=O 1448184195 BPSMECLJWIOFTJ-HNNXBMFYSA-N 408.405 1.530 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)CC1 1453844320 XJYVXNOULFPMEP-GANRHZMWSA-N 422.572 1.685 30 10 HDEE CC(C)c1ccc(N2CC[C@@H](C(=O)NCCn3cc(C#N)c(O)nc3=O)C2=O)cc1 1453845033 RYIWIROCQUBGJK-KRWDZBQOSA-N 409.446 1.113 30 10 HDEE N#Cc1ccc2nc(NC(=O)[C@@H]3C[C@H](O)CN3C(=O)Cc3ccccc3F)[nH]c2c1 1454326422 HXWJFWMSPUMBDG-KSSFIOAISA-N 407.405 1.717 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCCS1(=O)=O 1454527542 FRFGZVBJKIXWNH-HNNXBMFYSA-N 403.545 1.778 30 10 HDEE COC[C@]1(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CN(C(=O)OC(C)(C)C)CCO1 1455037249 GCYKYMZHVKUVFV-AVRDEDQJSA-N 415.490 1.794 30 10 HDEE C[C@H](CC(=O)NCC(C)(C)C1=CCOCC1)/N=C1/NS(=O)(=O)c2ccccc21 1457206235 HETOTTNPRUDBHU-CQSZACIVSA-N 405.520 1.993 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CC[C@](C)(C#N)C3)cc2)C[C@@H](C)O1 1460486330 DYDOAGPADJLSTL-GQIGUUNPSA-N 420.535 1.659 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCc2ccc(CC#N)cc2)c1 1461156982 VTVBWOUUQVLCEC-UHFFFAOYSA-N 416.503 1.261 30 10 HDEE C=CCC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OCC 1463730246 PAPHNDIUXVSOLB-SJORKVTESA-N 400.541 1.985 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]2C(N)=O)c1 1464293780 XIEFPYQRTUAGET-ULDLJNOVSA-N 406.508 1.730 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)[nH]n1 1466737707 RTAKMSMGLNFPRC-BXUZGUMPSA-N 405.455 1.854 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1471251757 JBTNTQWCSNDHTL-MRXNPFEDSA-N 403.435 1.974 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CC[C@]2(C1)CC(F)(F)C2(F)F 1473789210 CIJQVQCRUSLRSM-GFCCVEGCSA-N 407.330 1.832 30 10 HDEE Cc1nnc(Nc2cnn([C@H]3CC3(F)F)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1492974569 FXFWPFDCEUFLMW-YCPJBFQXSA-N 404.381 1.633 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1503288683 AONAIEAMWJOCSR-LBEKAKSKSA-N 417.535 1.827 30 10 HDEE CO[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C1CC1 1503970269 FRDJWCJWQXTYTQ-UXHICEINSA-N 424.505 1.583 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CCCS(=O)(=O)C1 1507646913 ZWBGNLLZRCXNQS-KRWDZBQOSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CC[S@](=O)CC 1507673521 WPVQLSDUVMRQLV-GDLZYMKVSA-N 409.515 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(SC)CCN(C)CC2)CC1 1507743081 YRGFUNRFKCIQDW-UHFFFAOYSA-N 418.611 1.634 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(F)cc(F)c2C1 1508073394 XCWTWQBNPGQOEB-UHFFFAOYSA-N 418.448 1.559 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@@H](C)O)cc1 1508422824 FHTMTNQVDQAFBG-RKVPGOIHSA-N 417.535 1.878 30 10 HDEE Cc1cc([C@](C)(O)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)c(C)o1 1510550203 CLWQNBDWURXWPF-XAUMDUMWSA-N 401.467 1.976 30 10 HDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1517287208 DLZSWLFHZOBYSE-UHFFFAOYSA-N 422.493 1.627 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)Cc1ccc(C#N)nc1)c1ccc(S(C)(=O)=O)cc1 1524783975 HHARZKDVOVBRIQ-HXUWFJFHSA-N 415.471 1.494 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 1525055193 YLWVLKXNHDZWDT-ZQQZQOJVSA-N 417.259 1.402 30 10 HDEE C=CCN(C(=O)Cc1ccccc1S(=O)(=O)C(F)F)[C@@H]1CCS(=O)(=O)C1 1530303219 KPZJOVFESFRRRZ-CYBMUJFWSA-N 407.460 1.427 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 1532448406 INQOZNQLQXYWED-NSHDSACASA-N 419.912 1.470 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(CC(=O)Nc2ccc(Br)cc2)CC1 1532775529 QUNWTOJVOTYLPA-AWEZNQCLSA-N 408.296 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C(=O)C3(C#N)CCCC3)CC2)CC1 1533373860 MVUURRTWRMWMGC-UHFFFAOYSA-N 419.526 1.887 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1538982238 BYUHOOCCEXYQJH-HNNXBMFYSA-N 400.479 1.962 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1539176987 XJHASCPRSBYRMJ-MRXNPFEDSA-N 418.542 1.940 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1539222223 USKOKQRVCXDKKR-DLBZAZTESA-N 424.567 1.350 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1539284315 MQXLWNZFRNQHQQ-UHFFFAOYSA-N 412.538 1.088 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](F)COC)CC1 1539482084 RBZKOUBJFWPHHI-DLBZAZTESA-N 407.490 1.122 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1539525342 YAUVMUHOEAFDDB-KRWDZBQOSA-N 413.547 1.968 30 10 HDEE C#CCSCCn1c(N2CCN(c3cnn(C)c3)C(=O)C2)nnc1C(C)(C)C 1539530544 IKALSTJBSIEPID-UHFFFAOYSA-N 401.540 1.529 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1539626742 GEZNTNVWAMIBMP-FCEWJHQRSA-N 411.510 1.808 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1539627325 IYEHARFRACKGOM-ISARSNTHSA-N 416.526 1.900 30 10 HDEE C=CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539990924 UMSDUNAJAXXVQD-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N2CCOCC2)CCSC1 1540044217 OYBZAOYJUINQCR-HXUWFJFHSA-N 420.583 1.344 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(OC)c(O)c2)C1 1540882342 GYGCPBSEUOAKJM-INIZCTEOSA-N 415.494 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C)C1 1540899916 FDNMVULUDLRYAS-AWEZNQCLSA-N 420.491 1.500 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CC=C(COC)CC1 1540905780 ZMFWQFAQEXCOFG-UHFFFAOYSA-N 417.535 1.648 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OC)c2ccccc2Br)CC1 1542894936 SMDLWORRXOWTMZ-SFHVURJKSA-N 422.323 1.420 30 10 HDEE C=C(C)CCNC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 1543935083 KTOINNMUYWYWQA-UHFFFAOYSA-N 405.476 1.657 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CS(=O)(=O)C2)cc1 1544855637 VULLNTCSZHGGIL-MNDPQUGUSA-N 413.521 1.263 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@H]3c3ncon3)C2)C1 1545795540 JKGPJGMMIAXSDH-FEDUSRTKSA-N 417.466 1.756 30 10 HDEE CCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1547147581 ZUYMFWUTMDPWQM-UHFFFAOYSA-N 417.477 1.929 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1554482594 DHHOOIZCKFQDMW-QGZVFWFLSA-N 407.478 1.154 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1555563627 KDSLYJFPXLPKCS-IBGZPJMESA-N 401.492 1.478 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1557134589 NHLLUJUAGNARHX-KSZLIROESA-N 401.511 1.337 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[C@H]2N2CCC(O)CC2)c1 1558050126 NVFSGWDFCUHFJM-RTBURBONSA-N 407.536 1.259 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(Cl)c2)CC1 1558073784 ZLGQIESZISYDGV-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558104214 WGWVDVNMQXHJBH-QGZVFWFLSA-N 417.531 1.661 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)c1 1558676620 IPURDQCKZJZZAE-UHFFFAOYSA-N 402.461 1.102 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)c1 1558747223 AWJBDBAQZILXQB-KZULUSFZSA-N 404.419 1.595 30 10 HDEE CCCC[C@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NC[C@@H]1CCCN(CC#N)C1 1558940476 XGKPMNATOCRVJE-BZSNNMDCSA-N 421.586 1.564 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCSc3c(F)cccc32)CC1 1563652464 PONYSOITYMHPJS-HNNXBMFYSA-N 412.512 1.157 30 10 HDEE COc1ccc2c(c1)CCC[C@@H]2CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1564510104 ZCCOWVIRZJRLDV-GUXCAODWSA-N 403.504 1.695 30 10 HDEE C#C[C@H](NC(=O)N1CCC(n2cnc(C(=O)OCC)c2N)CC1)C1CCOCC1 1565105275 FVSGIBCUSIYURN-INIZCTEOSA-N 403.483 1.417 30 10 HDEE CC(C)(C)OC(=O)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[nH]n1 1568508456 OBBNMTUQZRYUOK-HNNXBMFYSA-N 409.446 1.768 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1 1568701793 XORVXXXPAVQSKI-UHFFFAOYSA-N 416.432 1.052 30 10 HDEE CCN(CCC#N)C(=O)CN1CC[C@H]2[C@@H]1CCCN2C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1569909679 HMQQYEVLQZYINT-NGHCGDHJSA-N 400.523 1.237 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1584883410 VGZLHTJSFRACGK-VGSWGCGISA-N 416.497 1.256 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2c3ccccc3CC[C@H]2N2CCCC2)C1=O 1585762328 GZWRAVHMUDEAMC-MJGOQNOKSA-N 410.474 1.231 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1587767154 JEMLGCNIMSZKSG-UHFFFAOYSA-N 408.441 1.548 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1588050233 PRSXUASKQPJDGQ-CQSZACIVSA-N 406.537 1.185 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(C)c1 1588139577 PJRIWMUPDQRMFB-QGZVFWFLSA-N 400.479 1.749 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCCS(C)(=O)=O 1588292757 ASVAVLWHISPDGJ-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCC2(C)C)CC1 1588811686 MILVZBHVYYYIAW-ZWKOTPCHSA-N 419.595 1.762 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588812006 OUHAFBNIAVCBPI-HXUWFJFHSA-N 422.533 1.287 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1594774216 JAFDHWDUTRRJEM-FXAWDEMLSA-N 407.515 1.238 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NC 1594957208 YSPZQHFTAYCRIB-UHFFFAOYSA-N 412.542 1.847 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccnc1C)C1CC1 1595021380 YKNDOIIQDWYZTE-CQSZACIVSA-N 405.528 1.384 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1595822705 JEUNTUJXCBUYNB-CVEARBPZSA-N 424.523 1.726 30 10 HDEE C[C@H](Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1611596994 GDRVNYBFNFSZRW-UYAOXDASSA-N 410.522 1.513 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2coc(-c3ccc(Br)cc3)n2)c1=O 1614709050 SQQCXJWIHOVNCX-UHFFFAOYSA-N 417.219 1.340 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1616185950 LYVGTSLVHOEZAQ-PXNSSMCTSA-N 405.499 1.476 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3occc3COc3cccc(C#N)c3)C[C@@H]12 1618015094 ISECDRFGMDYALQ-KSZLIROESA-N 416.455 1.614 30 10 HDEE COC[C@]1(C(=O)NCc2cc(C#N)ccc2F)CN(C(=O)OC(C)(C)C)CCO1 1618673998 SKNBURKIQZETMQ-FQEVSTJZSA-N 407.442 1.966 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1620358752 DFZZANHRMAUXJR-IAGOWNOFSA-N 407.540 1.737 30 10 HDEE N#C[C@@H](CCc1ccccc1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1623788313 BALCTEQBXJYUHL-MOPGFXCFSA-N 405.520 1.412 30 10 HDEE COC[C@]1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1624339578 VDKVYWOPAYENCB-QVURBQDSSA-N 407.511 1.631 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)CC1 1628703212 YAUFEIQJEMMECP-QGZVFWFLSA-N 412.552 1.920 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1628903717 MPRRDSNEBVWKTR-KUHUBIRLSA-N 401.488 1.903 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H]1CC[C@H](C#N)C1 1630595207 IBWWSVYOPWALJQ-WOSRLPQWSA-N 411.911 1.682 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc3ncc(I)n3c2)CC1 1635737569 RAXBQOUCPTWSJZ-UHFFFAOYSA-N 423.214 1.137 30 10 HDEE C[C@H](CC(=O)NC[C@H]1c2ccccc2CN1C)/N=C1/NS(=O)(=O)c2ccccc21 1635901556 WOGNBCBTZPEXMT-KDOFPFPSSA-N 412.515 1.807 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1)C1CCOCC1 1637128940 SYKKAMKVFVQSKP-ROUUACIJSA-N 409.527 1.818 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCC2(C#N)CCCC2)C1 1640671446 MGQOGUDPCNUEMR-AUUYWEPGSA-N 411.524 1.468 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1643335734 SNBGOKSWHJBOSG-ZOZBEKFXSA-N 409.483 1.355 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1643675874 NCDHKZQSEGZJFV-QHCPKHFHSA-N 412.405 1.625 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@]12CCCN(CC1)C2 1644097886 DJJMMKKGAQAWIZ-FQEVSTJZSA-N 404.536 1.640 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)ccc1F 1644260531 AUEFALYFUJEJGZ-LBPRGKRZSA-N 422.438 1.121 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cc(Br)cc([N+](=O)[O-])c2=O)c1 1651876888 XOFYWNPLXDWAME-UHFFFAOYSA-N 419.191 1.849 30 10 HDEE Cc1cc(C#N)nc(N2CC[C@H](N3C(=O)O[C@H]4CN(C(=O)OC(C)(C)C)C[C@H]43)C2)n1 1652157680 RNTYUCKIVBXPQH-XHSDSOJGSA-N 414.466 1.676 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCO[C@@H](Cn3ccnn3)C2)ccc1Cl 1654291516 VOCYYGSQDVHUAP-QGZVFWFLSA-N 402.886 1.888 30 10 HDEE O=C(c1cn(Cc2cccs2)nn1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811576 IXKGAJCMLIMEEO-UHFFFAOYSA-N 411.443 1.906 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2 1655924176 CRKSNSGEISDGAP-KRWDZBQOSA-N 423.487 1.519 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@H]2CCCCN2C(=O)OCc2ccccc2)CC1 1656066961 DLODPGYIBCINFO-LJQANCHMSA-N 420.531 1.968 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CCOCCO)C2CCC2)CC1 1659395514 VVAXQMGPQCSJPQ-GOSISDBHSA-N 406.552 1.320 30 10 HDEE C[C@@H]1C[C@H]1c1cc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)n(-c2ccccc2)n1 1673821427 HVDOIONEVMLAOK-CZUORRHYSA-N 419.445 1.951 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1676709494 FLYQFPJOJUFFJS-UHFFFAOYSA-N 409.508 1.253 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@H]1Oc1ccccc1 1681555365 AXIOROYPBRYRQM-KNRPQUBCSA-N 419.503 1.191 30 10 HDEE CO[C@@]1(CNC(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCS(=O)(=O)C1 1681805600 TYWCOKUWLOFAAN-LADRWXRNSA-N 422.507 1.146 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683735391 HTZARPRWJPYYJH-CVEARBPZSA-N 410.515 1.993 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1689835225 ISAQOJIZIRCNRX-HNNXBMFYSA-N 413.478 1.279 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1689850902 JCOKSOKTROHMMR-IAGOWNOFSA-N 417.535 1.609 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@](O)(c1ccccc1)C(F)(F)F 1689943677 ZIRXSZCIUDPPDW-GOSISDBHSA-N 409.412 1.936 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(CC)s1 1689973569 ICTSLKJKWYPQPA-UHFFFAOYSA-N 401.521 1.801 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@H](COC)OC)CC1 1690131991 CMKJSFOKOWVLMF-HXUWFJFHSA-N 413.522 1.582 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCC)CC1 1690143951 HNUVBQZOWKLWTL-KRWDZBQOSA-N 416.526 1.012 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OC 1690190169 NAEIOSYNESWSFC-IFXJQAMLSA-N 418.523 1.332 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690506221 GYFGBQOGZKLZGE-GOSISDBHSA-N 411.510 1.973 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCN(C)C1 1690603819 IUQXSHUSHDVIHQ-NRFANRHFSA-N 416.526 1.311 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CCS(=O)(=O)N(C)C)C1 1690709253 FGGAASBRZIGHPC-KRWDZBQOSA-N 411.572 1.684 30 10 HDEE CC(C)N1CCC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)C1 1692486045 GOSLERJWDBUYBP-GOSISDBHSA-N 407.522 1.873 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cccn2)C1 1692849768 CSCLXXJFHFCYGC-NRFANRHFSA-N 404.478 1.805 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCCS2(=O)=O)n1 1693174208 AGWJCINERZFTRG-CQSZACIVSA-N 403.512 1.280 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCC(CC#N)CC1 1697031483 FMLODDYDFIOOTI-UHFFFAOYSA-N 423.568 1.313 30 10 HDEE COc1cc(Cn2c(C3CCC3)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1697272342 BGZATNFYYQSGEN-KRWDZBQOSA-N 413.478 1.702 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1697361124 DWLIXCFLPQHCMO-HXUWFJFHSA-N 424.440 1.549 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@H]1C 1705590850 YBNFSASVKGXZHE-KNQAVFIVSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)N(C)C 1705594962 ZCFFCOMPKLJVSZ-UHFFFAOYSA-N 403.483 1.439 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1705603343 NOCUZRFSYRJANB-UHFFFAOYSA-N 407.478 1.729 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1ccccc1 1705628430 GOOLIQKBHRIZEX-LJQANCHMSA-N 416.547 1.899 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCCOCC)CC1 1705648315 QSTFTUYXPVQDGE-SFHVURJKSA-N 403.527 1.565 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1705762102 MHQGGWSTDSDYBV-XGUBFFRZSA-N 411.890 1.689 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1705843695 LSWDWQQPSBWRMP-JTDSTZFVSA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705939119 AAZAPFGSIAOGSX-HZPDHXFCSA-N 409.556 1.720 30 10 HDEE CC(C)(C)C(=O)NCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1706095360 FNYZWSSAMZUUQV-OAHLLOKOSA-N 402.524 1.821 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1706172272 YLSGLWAQRDOQAY-CQSZACIVSA-N 401.471 1.917 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](F)COC 1710734463 DHVVBSJWJADWAT-CABCVRRESA-N 418.477 1.176 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2Cc2cccc(C(N)=O)c2)CCO1 1712885027 XTROCHUOBLJXNV-KRWDZBQOSA-N 408.487 1.806 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCOCCCO)CCO1 1712885861 ASESCAUHEIUHRN-KRWDZBQOSA-N 405.430 1.124 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1722350765 DDZFIWOALAARNB-MRXNPFEDSA-N 407.540 1.042 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1CC 1722357715 OFJXPXOOIIPYSF-KXBFYZLASA-N 400.527 1.978 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(CC)CCOCC1 1722418756 BAQCUDRCCGTPRE-UHFFFAOYSA-N 403.527 1.807 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@]2(O)CCCC2(C)C)CC1 1722450585 NEEAUSPJQHCDNG-JOCHJYFZSA-N 417.554 1.722 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722481888 MJHVATJMECTJBW-MRXNPFEDSA-N 406.288 1.304 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)NC)CC1 1722481903 CFTJGEPPDDJMGQ-CYBMUJFWSA-N 413.320 1.890 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1722522541 VMJLCROCOPSCCB-KRWDZBQOSA-N 412.469 1.907 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1722630368 YUPBSFVVSIQQGU-HNNXBMFYSA-N 409.512 1.706 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1722631054 BBQLHJCKSRZRHA-OAHLLOKOSA-N 406.556 1.819 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CCN1CCOC(C)(C)C1 1722697459 JYWKDKACMYEARF-UHFFFAOYSA-N 401.515 1.122 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)[C@H](C)CC)C1 1722722305 ZQRUWRRNYPSTHL-CBGDNZLLSA-N 405.543 1.979 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1722728555 XCJJHEMKSPTNJZ-DOTOQJQBSA-N 420.539 1.285 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1722857076 GWKASOQDWFJLKG-UHFFFAOYSA-N 421.505 1.449 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)N(C)C2CC2)CCOC1 1723689627 IEVONGFGJSMETI-HGHGUNKESA-N 418.542 1.530 30 10 HDEE CCc1nc(CCn2c([C@@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)no1 1727459440 SYYSDOVXQGXQCD-ACJLOTCBSA-N 407.450 1.632 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)N(C)C 1728903066 ADFMEUUPVYEYCJ-DLBZAZTESA-N 414.510 1.935 30 10 HDEE CCOCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1729134276 SXWKOIDVLMGUOU-GOSISDBHSA-N 415.542 1.394 30 10 HDEE COCCCN(C)CCn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1730690632 FERIVQNARQBUAY-MRXNPFEDSA-N 402.474 1.781 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CC1 1730751272 XMTDPIIBIZUPKQ-UHFFFAOYSA-N 407.478 1.728 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1c(C)nn(C)c1C 1730838485 CSNGENIRKRMWHB-BEFAXECRSA-N 405.478 1.843 30 10 HDEE C=CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1740359800 MVFZEJPNQKPQIS-DFBDCSAJSA-N 403.523 1.794 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)COC)CC1 1740593702 NBHWZKVMELNMCD-UHFFFAOYSA-N 402.524 1.342 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1740601000 QFVDKJMEKDEABN-ZDUSSCGKSA-N 420.495 1.184 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCN1CCN(C(C)=O)CC1 1740635239 MJXVLVAFCMJLJF-UHFFFAOYSA-N 420.517 1.191 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NC(C)C 1740658353 LJZQELNCWNPNDU-UHFFFAOYSA-N 412.519 1.257 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1ccco1 1740682093 KFQUZFFAFPMIGP-UHFFFAOYSA-N 418.457 1.926 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC2(N(C)C)CCCC2)CC1 1740697978 KYUUGNYAOMVHGO-UHFFFAOYSA-N 407.566 1.894 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1740718510 PUXSZPAKMDZBBM-TVKQPGBESA-N 406.552 1.921 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740873683 DVVIDVLALDCHCH-WMZOPIPTSA-N 402.543 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1740955933 ISALQSQCTPRUDS-OCCSQVGLSA-N 410.400 1.798 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1740974002 AQAATSYXKXTKLI-KXBFYZLASA-N 422.507 1.177 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCc2ccc(OC)cc2C1 1740993893 JQANTGVBKBGRIA-UHFFFAOYSA-N 420.535 1.987 30 10 HDEE CC(C)C(=O)NCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1741123467 CTINZNNYRXSDTN-OAHLLOKOSA-N 412.498 1.684 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748808965 OSBSOKXRZYOCCB-WMZOPIPTSA-N 418.519 1.898 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)c1ccccc1 1748841020 PRQMUHDTZSFXJK-UHFFFAOYSA-N 408.487 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCC)c1 1748888262 QYVGHIJIFNFKNF-IBGZPJMESA-N 418.501 1.490 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CC(C)C)CC2)CC1 1748972056 AVFSYWJLSCMYHB-QGZVFWFLSA-N 422.599 1.470 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(CN3CCOCC3)c2)CC1 1748992860 IPTYQEUMNJCNMK-UHFFFAOYSA-N 408.550 1.476 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(C)=O)nc1 1749051767 MVMOQGRFGUTZKX-OAQYLSRUSA-N 409.494 1.810 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1749118715 ITILXMSFGBJWAZ-WOYTXXSLSA-N 409.556 1.858 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749459930 WDVSILQXNOYNRF-HUUCEWRRSA-N 405.455 1.107 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CC1 1749488827 NICMVLPGEKSWLO-ZDUSSCGKSA-N 401.558 1.129 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCOCC1 1750632640 GDRFDRGIPAWJBX-UHFFFAOYSA-N 411.510 1.659 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(O)cc1 1751211366 FUIYATYVQLQWQP-CQSZACIVSA-N 418.523 1.772 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)C2)CCOCC1 1757621533 KVVAMHGQSUOVDU-UJMXGEILSA-N 402.535 1.832 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1760181525 WVYYAUSPFYCJHU-PKOBYXMFSA-N 407.584 1.868 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1760201820 JWEKVNNNPOFTRY-INIZCTEOSA-N 400.552 1.129 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1760234553 XYFWXFUGRDRZIB-UHFFFAOYSA-N 424.553 1.780 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(F)(F)CC1 1760280241 DYNGAAMETBUBEV-CYBMUJFWSA-N 404.508 1.782 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760354542 FNSUQTAEFQABMR-HXUWFJFHSA-N 400.483 1.907 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCC2)CC1 1760396625 GVPUUMSZUSFUBI-MRXNPFEDSA-N 410.588 1.777 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 1760403505 VQKOMSSBIJBOPV-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760436572 VEQZZPCSCLZKMG-SFHVURJKSA-N 412.542 1.388 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760677118 ATKYMDGXZAYOSQ-OAQYLSRUSA-N 423.477 1.374 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(C)=O 1764110258 IMGHEHLWDGKZPV-UHFFFAOYSA-N 403.531 1.853 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1769385908 ZUWAYXGYEMMDAB-UHFFFAOYSA-N 412.475 1.568 30 10 HDEE COC1(C)CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769740669 BWPRBHDLGZITGL-VLGSPTGOSA-N 400.483 1.687 30 10 HDEE COCCN(C)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1771085190 WBULTSZLSJCUII-UXHICEINSA-N 424.521 1.339 30 10 HDEE C=CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)[nH]n1)[C@@H]1CCN(C)C1=O 1849063752 REDHOZBKYJMQMA-MRXNPFEDSA-N 414.462 1.961 30 10 HDEE Cc1nc(-c2ccnc(N3CCN(C(=O)c4c(F)ccc(C#N)c4F)CC3)n2)no1 1851504324 UTUGGTUEVCFPQA-UHFFFAOYSA-N 411.372 1.947 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)CC1=O 1853010416 KUBSRYMIJZGONF-CQSZACIVSA-N 411.911 1.207 30 10 HDEE CCOCCON=C(NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccccc1 1853535519 RTIVOZFWSOSFDN-UHFFFAOYSA-N 403.460 1.874 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2=O)cc1 1854034846 FTCDJUPLUYENOC-UHFFFAOYSA-N 415.446 1.690 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N(C)CCc3ccc(F)cc3F)C2=O)CC1=O 1854195127 DPTLPDHMOXXHQD-QFBILLFUSA-N 419.472 1.991 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(-c3ccccc3)on2)C1=O 1854219569 NKIFTXVOEISYKW-ROUUACIJSA-N 408.458 1.801 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1CCCc1cnc2ncnn2c1 1854234319 KTOMVVCSSGRNSR-HNNXBMFYSA-N 403.446 1.302 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2cccnc2Cl)C(=O)C12CCCC2 1854394665 CIYQBARDJRGVBQ-UHFFFAOYSA-N 410.883 1.114 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)OC1=O 1854650102 FCHQAUGDOSOCQE-MRXNPFEDSA-N 409.439 1.629 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1855375234 JWJBBVKGKQHHSV-SJLPKXTDSA-N 414.506 1.861 30 10 HDEE C[C@@H]1CCN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855421619 WVBASJKQHIODEA-APWZRJJASA-N 417.531 1.517 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1855688938 VYTIEJJPUAPCEP-SFHVURJKSA-N 415.515 1.590 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)CCC1=O 1856037067 UPQHPNMIGDCKQT-QGZVFWFLSA-N 411.506 1.512 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)C1(C)C 1856097400 JGDIXGNHXRBFGX-UHFFFAOYSA-N 417.481 1.688 30 10 HDEE CCOCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCCC2)C1=O 1856276704 WXGRIGDNSUUJJX-UHFFFAOYSA-N 419.503 1.657 30 10 HDEE CCOc1ccccc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCC2 1856392718 OUAIUGXIWHODNG-UHFFFAOYSA-N 405.476 1.671 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)CS(=O)(=O)c3ccc(F)cc3)C1=O)CC2 1856540058 HIBPJTSGZXDWSY-WMLDXEAASA-N 419.478 1.353 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C1=O 1856542283 HBGLYWUWPFNGKO-INIZCTEOSA-N 411.911 1.867 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c3c(nn2CC)CCC3)C1=O 1856742143 XHCOUJXODHNYBW-QZTJIDSGSA-N 413.522 1.242 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)cc3C)C2)CC1=O 1856788434 ZQPZSMYOWJXAGB-DZGCQCFKSA-N 412.439 1.016 30 10 HDEE CCc1noc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)n1 1856838566 NAOZPMQYAFNMMF-QGZVFWFLSA-N 408.462 1.063 30 10 HDEE Cn1cncc1C(=O)N1CC[C@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1856972602 VVQRLYMBXJEQBT-KRWDZBQOSA-N 408.462 1.219 30 10 HDEE C=CCSC[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1CC 1857789433 YPHJBURJTROKRY-ZDUSSCGKSA-N 411.958 1.669 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2C 1858033206 IDXZILHIDZFFMH-UHFFFAOYSA-N 403.460 1.292 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)NCCCN1CCCC1=O 1871321906 TWBNFLNVHWCVFI-UHFFFAOYSA-N 416.263 1.724 30 10 HDEE C=CCN=c1nc(Nc2ccc(N3CCCCC3)cc2)[nH]c(N(CCO)CCO)n1 1871608466 XTJSTKYKWBKHCI-UHFFFAOYSA-N 413.526 1.416 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 1890927072 HUORERZDLOYMQJ-GOSISDBHSA-N 408.458 1.974 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CC(n3nccn3)C2)[C@H]1c1ccc(C#N)cc1 1892101894 KIVVREZTPBRXPX-MOPGFXCFSA-N 410.503 1.627 30 10 HDEE CC[C@H](C#N)S(=O)(=O)NCc1nn(C)c(Cl)c1I 2054059570 ICLHUCGBAUIXSQ-ZCFIWIBFSA-N 402.645 1.400 30 10 HDEE C=C1CC(NS(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2077092240 MIROEDVKMRCJBL-QGZVFWFLSA-N 410.423 1.104 30 10 HDEE CN([C@@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC[C@H](C#N)C1 2174783407 BWQDTXWCMKNGNU-RHSMWYFYSA-N 402.517 1.082 30 10 HDEE CC1(C)OB(c2cccc(C(=O)NCCn3cc(Br)nn3)c2)OC1(C)C 2199708782 ZPHXTAURJZYYKK-UHFFFAOYSA-N 421.104 1.770 30 10 HDEE C=CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243678895 PMMXHXPAMNAVAO-LLVKDONJSA-N 424.332 1.667 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245265155 CVGDKAUYHHXPGB-YKWSONSWSA-N 411.308 1.449 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247917107 IETZRJICKGBZFY-OLZOCXBDSA-N 420.319 1.423 30 10 HDEE Cn1cc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247918909 RQHQSHXLERAGHT-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE Cn1cc(C(=O)N2CCC3(C2)CC2(C3)OCCO2)c(B2OC(C)(C)C(C)(C)O2)n1 2281965206 IKIUSILRMIEOFF-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCCC[C@H](N)C3)s2)OC1(C)C 2282330702 CXILHICTXWUNQW-ZDUSSCGKSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(C)CCCNC3)c2)OC1(C)C 2282342999 NPNBPNNFPSOUTB-QGZVFWFLSA-N 400.375 1.715 30 10 HDEE CC[C@@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343347 DPQJADAITUJELA-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)S1 2282343960 SCFXFTBYOHDSOK-VXGBXAGGSA-N 401.363 1.282 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282494016 WMQJKWUAFTZVDM-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE C[C@H]1OCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282495462 MUSURPLPSVYMJB-CHWSQXEVSA-N 401.359 1.986 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C[C@@H](C)CO)c1B1OC(C)(C)C(C)(C)O1 2282499850 GDFQBFSARMPLCS-LLVKDONJSA-N 403.375 1.913 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)co2)OC1(C)C 2282538244 CSORZOQQNDAFMD-CYBMUJFWSA-N 401.315 1.139 30 10 HDEE CC1(C)[C@@H](O)[C@H](O)CN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282616295 ZKFUJIVCQYYSDL-PWSUYJOCSA-N 401.721 1.657 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)[C@@](C)(O)C3)sc2Cl)OC1(C)C 2282617891 NAEDOIQHMCTRDN-SJCJKPOMSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@@H]3N)c(Cl)c2)OC1(C)C 2282844286 BABWVXXQJWQVEG-KBPBESRZSA-N 400.737 1.797 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282846655 MOTDZKHKETURMD-NWDGAFQWSA-N 419.399 1.764 30 10 HDEE CC1(C)C[C@@H](N)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846942 RBIBVSQUFLCHKC-LLVKDONJSA-N 401.363 1.084 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCSCC1 2282851873 IJINXVIKNGYJGF-LBPRGKRZSA-N 401.363 1.283 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)CCC(=O)O 2284402758 PCMMQRSWVGZCPN-JTQLQIEISA-N 403.331 1.887 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)N1CCC(C#N)CC1 2296374815 GMZRPXAIIYBLFK-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2342064063 OUNLNDFINMRTLJ-WBTXTPOCSA-N 420.531 1.365 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2365210167 JOYNUYTZAJEYBA-FPCVCCKLSA-N 402.557 1.407 30 10 HDEE CN(CC[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)C(=O)OC(C)(C)C 2367787918 MKEFUHFDIGKCHY-CQSZACIVSA-N 403.497 1.684 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCCC(=O)O 2367797400 MTINCXFFRQEDPE-CQSZACIVSA-N 403.497 1.732 30 10 HDEE COC1([C@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367799710 CMDFCJBVPIFGCT-HUUCEWRRSA-N 401.525 1.780 30 10 HDEE COC(=O)c1ccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1 20905806 KIGOUBIWEIELNG-OMCISZLKSA-N 418.464 1.620 30 10 HDEE C#CCOC[C@@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36156840 VKMDMQUHNVTFIT-AWEZNQCLSA-N 405.520 1.323 30 10 HDEE C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34C=O)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1 253530211 ODJLBQGVINUMMR-IXFYEEPCSA-N 404.503 1.898 30 10 HDEE biogenic Cn1ncc(Cl)c1S(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 404913050 CYOIKGMVVXRFLU-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@@H](c1nc(-c2cccs2)no1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409698178 CLWIVELMYYOJSH-QWHCGFSZSA-N 412.479 1.728 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H](O)Cc2ccccc2C(F)(F)F)c1=O 443456860 REVIUVBVEFBYDQ-AWEZNQCLSA-N 411.380 1.166 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@]1(C#N)CCOC1 463384155 GSEHKCMDGNREOG-HNNXBMFYSA-N 419.297 1.777 30 10 HDEE CCN1CCN(c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2)CC1 465256015 CWVNAECJWWBXKV-GOSISDBHSA-N 419.533 1.841 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCCNC(=O)c3ccccc3)CC2)c1C#N 472054804 WIGOKTDLSPLARX-UHFFFAOYSA-N 409.494 1.252 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2ccccc2SC[C@@H](C)C#N)C1 473322928 FVSGPIPWPZKGTP-UONOGXRCSA-N 403.508 1.797 30 10 HDEE CCN(CC)C(=O)C1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 480020918 ONTFSUCGMKMSQL-UHFFFAOYSA-N 416.526 1.084 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)NC1(C#N)CCN(Cc2ccccc2)CC1 482557809 RVYBDXRYSMLMLD-UHFFFAOYSA-N 422.551 1.005 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 483597486 ZJVQXFYUIANHMX-CWRNSKLLSA-N 423.491 1.947 30 10 HDEE C[C@@H]1CCCCN1C(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488967064 HUHDBAQDVARODP-OAHLLOKOSA-N 408.499 1.405 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)cc1C#N 489719709 SFTZANSXKOVMEK-UHFFFAOYSA-N 400.504 1.697 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H]3C(=O)NCc3ccco3)cc2C1=O 490885831 RPALZCRQRHAXOF-SFHVURJKSA-N 407.426 1.983 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(C#N)c4)CC3)C2=O)n(C)n1 505861129 BMRQOFGGPZTNGV-LJQANCHMSA-N 406.490 1.554 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(CCC)CC1 508475341 YRYZCKNIDLJHCR-UHFFFAOYSA-N 403.556 1.956 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC(C)(C)N1CCS(=O)CC1 509940008 VWMTUIFJLKJWLA-UHFFFAOYSA-N 416.551 1.110 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)c(C)c2)c(=O)n1C[C@@H]1CCCO1 541864151 JZIXETBOLVGHMO-AWEZNQCLSA-N 417.918 1.300 30 10 HDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cc(C#N)ccc2OCCOC)C1 543262331 OKOWMSYMRSESED-HNNXBMFYSA-N 402.451 1.039 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)N2CCC(C#N)(c3ccccn3)CC2)cn1C 548774192 DUWZMZQFPQDDBF-UHFFFAOYSA-N 401.492 1.368 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 558486793 DXCFOYBZSODUED-UHFFFAOYSA-N 405.520 1.932 30 10 HDEE Cc1oc(C#N)cc1C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 559240468 OUBIQETYZMABDH-OAHLLOKOSA-N 410.478 1.036 30 10 HDEE COc1cc(CNC(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)ccc1C#N 576995998 QISAXNDOZONAGB-UHFFFAOYSA-N 424.429 1.623 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 582741293 AIZNCDOGCFJPAJ-AEFFLSMTSA-N 422.526 1.748 30 10 HDEE Cc1ccc(=O)n(CCN2CCCC[C@@H]2C/N=C2/NS(=O)(=O)c3ccccc32)n1 585623391 FVSZPLIGJJQEMR-MRXNPFEDSA-N 415.519 1.145 30 10 HDEE CCOC(=O)C1(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCOCC1 585864221 HJDVKGFZVQAMOG-SFHVURJKSA-N 403.454 1.894 30 10 HDEE CN(CCC#N)C(=O)C[S@@](=O)Cc1cc(=O)c(OCc2ccccc2)cn1C 586361154 ZDPFTZLGXRXANV-NDEPHWFRSA-N 401.488 1.585 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H](O)C2CCOCC2)nn(-c2ccc(F)cc2)c1N 609847367 GHBURUGDAPGPHC-GOSISDBHSA-N 401.442 1.302 30 10 HDEE COC(=O)[C@H]1CCCCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 611579713 FKAQNGDUAIDGFY-DLBZAZTESA-N 412.446 1.707 30 10 HDEE C[C@@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619712974 DXZJAOVCMUJFMD-GOEBONIOSA-N 400.526 1.229 30 10 HDEE C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 671193774 MXNRWCYFTDWWJB-CQSZACIVSA-N 404.492 1.771 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727561643 NUDULMZVTBVDHI-UHFFFAOYSA-N 416.478 1.505 30 10 HDEE C#CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)[C@H]1CCS(=O)(=O)C1 729332480 OUDYBUIPHULJMQ-SWLSCSKDSA-N 412.920 1.792 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732676287 HWFHODZGIXOMMA-GOSISDBHSA-N 419.551 1.599 30 10 HDEE C#CCN(C(=O)CCCN1CCN(c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 735039674 CIYARXYACIBTSA-FQEVSTJZSA-N 403.548 1.238 30 10 HDEE CCNC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747495162 OXBNDLSEBGAFAB-UHFFFAOYSA-N 410.430 1.337 30 10 HDEE CNC(=O)c1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747498748 QRSOTQBOZKVCBE-UHFFFAOYSA-N 400.822 1.835 30 10 HDEE CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750801530 MNDDNZYIINESSF-JILDMTJUSA-N 407.517 1.762 30 10 HDEE CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)c2)n1 751016667 PJNDXBZOALMMJW-MRXNPFEDSA-N 408.462 1.745 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 751580465 LNJXQVLTLKLXKH-OAQYLSRUSA-N 408.543 1.470 30 10 HDEE COC(=O)c1cc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(S(C)(=O)=O)c1 758649904 OLFWYPKRQCZNQJ-HNNXBMFYSA-N 406.464 1.081 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)c1ccc(C#N)cc1 763502333 TZZBBZIOIFLYPS-SFHVURJKSA-N 402.495 1.603 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 773661583 AHVXAZURLHZZFC-QGZVFWFLSA-N 401.463 1.853 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 775234143 SYDZTMQBQHHPRI-OAGGEKHMSA-N 413.540 1.606 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 780370149 MKXMCUCIGNHRLK-GJZGRUSLSA-N 414.487 1.994 30 10 HDEE COc1ccc(C(=O)CCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(Cl)c1 780501767 NKGOPQVFOSUJND-VHEBQXMUSA-N 405.838 1.954 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)n1 790107889 OIALZRZTUSRYRG-UNMCSNQZSA-N 424.501 1.720 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(C(=O)NCCO)CC2)CCCN1C(=O)OC(C)(C)C 790793585 JGTPNPIJGVSCHD-OAQYLSRUSA-N 409.527 1.679 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C3CC3)CC(=O)N2C(C)(C)C)cn1 796412401 GGOOMQWVTKHVBZ-KLHJMIIUSA-N 415.494 1.460 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798741421 PTGWSNXQWDYPJC-QWHCGFSZSA-N 401.423 1.019 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)OCC(=O)N3CCOC[C@H]3C3CC3)C2)c(F)c1 805590745 YSSJRNKRHPRALX-APWZRJJASA-N 401.438 1.704 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 806456514 OXOCAOIMDOODOW-LBPRGKRZSA-N 401.510 1.659 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)OCC3(C#N)COC3)CC2)c1 811050425 YRUPOHFQLIUCIW-UHFFFAOYSA-N 406.460 1.373 30 10 HDEE C#Cc1ccccc1CC(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 811257098 BJKOZIQMWDLGFV-LSDHHAIUSA-N 414.483 1.667 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cnn(CC(F)F)c2)c(=O)n1C1CC1 814250126 IZJTWNCOSFUCNL-UHFFFAOYSA-N 404.442 1.579 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@H]2CCN(O)C2=O)c1 820180041 UDNSUQGOQBULSN-INIZCTEOSA-N 403.460 1.824 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnc(-c3ccccc3)nc2)c(=O)n1C[C@H]1CCCO1 917767935 GXTKIOYNHMVRTL-GOSISDBHSA-N 415.478 1.572 30 10 HDEE CCCCN(C)C(=O)C1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1116044259 DQNAHZQLHXZIHW-ZCXUNETKSA-N 405.499 1.193 30 10 HDEE Cn1cc(N2CC[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1126400822 DFHPEYSILWENCC-LSDHHAIUSA-N 404.471 1.229 30 10 HDEE CC[C@H](CNS(C)(=O)=O)NC(=O)COc1cccc(Br)c1C#N 1129021028 FTQDFZMRVLNAOQ-SNVBAGLBSA-N 404.286 1.144 30 10 HDEE CC[C@]1(C)NC(=O)N(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1139682877 HKNRBYZPNFTFSJ-XKBYWUBCSA-N 419.482 1.525 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nc(C)cc(O)n4)CC3)cc2C1=O 1155604422 VSHWYNPWCFUFLR-UHFFFAOYSA-N 407.430 1.235 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]2c2ncc(-c3cccc(OC)c3)[nH]2)CC1 1167819958 PGGVAYWVXNLMGK-NRFANRHFSA-N 407.518 2.000 30 10 HDEE C=CCCC[C@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)C(=O)OC 1177958668 LGDYVPKGRHEWSN-UONOGXRCSA-N 400.522 1.915 30 10 HDEE N#C[C@]12CN(C(=O)c3cccc(NC(=O)c4cccnc4)c3)C[C@H]1CS(=O)(=O)C2 1179652124 OVPAHZMVOXSHQZ-OXJNMPFZSA-N 410.455 1.344 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OCC)C[C@@H]1CO 1180244854 RFUOUMVDQXNSIE-PMPSAXMXSA-N 413.515 1.801 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OC 1194897286 URZMTIATDJHPDW-CABCVRRESA-N 420.528 1.440 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)nn1 1206365926 CEGGBWFOMSVFFT-UHFFFAOYSA-N 422.287 1.780 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(C(=O)OC)ccc1Br 1213276506 XMRDIVXITATICO-LBPRGKRZSA-N 404.282 1.942 30 10 HDEE CS(=O)(=O)CC1(CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CCC1 1251910748 SZHOGNVMBHZYJX-INIZCTEOSA-N 405.524 1.754 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)CC1 1255299370 FEJWEQJBSQVMGX-KRWDZBQOSA-N 421.538 1.962 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1255957054 JKCSOABAERSXLO-OAHLLOKOSA-N 415.494 1.444 30 10 HDEE COC(=O)c1cccn(CC(=O)N[C@H](C#N)c2ccccc2Br)c1=O 1280362498 YVXBAOQROZCHBU-CQSZACIVSA-N 404.220 1.778 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1286284678 GFCNLAKGAQESIL-VLIAUNLRSA-N 416.551 1.857 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(C(C)(C)C)s1 1286360223 DSVUUGSZENEGRD-LLVKDONJSA-N 411.557 1.155 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1286394694 WIVKJGRYESGZQP-KRWDZBQOSA-N 417.535 1.316 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1286447075 IWHFBOIICSAEDE-BBWFWOEESA-N 409.556 1.507 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1286467419 PKPYWQDEBSALKT-MRXNPFEDSA-N 421.523 1.114 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCCC2)CC1 1286472106 DQUOJVBWHVRUNE-QFIPXVFZSA-N 416.570 1.171 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1286612694 WZJRNFSASVUNOL-GOSISDBHSA-N 420.558 1.371 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCC(O)CC2)CC1 1286632978 BMACJWONPIFOSZ-UHFFFAOYSA-N 402.543 1.517 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286688281 PTCGDVFOZGTPTP-BEFAXECRSA-N 407.540 1.395 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1286844580 HKSPPLFGLJTGAJ-KRWDZBQOSA-N 419.493 1.298 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(Br)ccc2C(C)=O)C1=O 1289041930 VDGJCMDTJNYUHJ-UHFFFAOYSA-N 408.208 1.567 30 10 HDEE N#Cc1csc(CNC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)n1 1289334215 YIOZDSCDDNFRRD-SBSDFTTDSA-N 409.471 1.434 30 10 HDEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1(C#N)CCC1 1292236468 VPTXFXANBXVYPO-ILXRZTDVSA-N 411.524 1.561 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)CNS(=O)(=O)c2ccccc2N)c1 1293546071 JALZOLNCJORKEY-HNNXBMFYSA-N 402.476 1.544 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OC[C@H]4C3)C2)C1 1294596342 ONLSILVZAROCJS-YCTJDYOESA-N 404.467 1.436 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1295229383 NSPVORMSEKCWBH-GOSISDBHSA-N 404.422 1.168 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1297312533 XXOOHBLQSNTUFC-KRWDZBQOSA-N 414.466 1.069 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](N3CCC3)[C@H](F)C2)s1 1297359579 OMHPAYFKRRXRDK-HUUCEWRRSA-N 401.529 1.400 30 10 HDEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1298468569 GLOWEWAJJOQELH-UHFFFAOYSA-N 415.479 1.380 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H](c1ccccc1)c1nc[nH]n1 1299106537 UUOMRHRROLWGNT-GOSISDBHSA-N 424.486 1.858 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300412486 APEMTZSVPMDTRI-QFIPXVFZSA-N 421.505 1.492 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1300520369 IQNDMLXIHAGEOM-UHFFFAOYSA-N 407.474 1.275 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC(C)C 1300520901 KKTPPPQJVRMXDP-UHFFFAOYSA-N 410.503 1.217 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1C[C@@H]1CC(=O)N(CCOC)C1 1300526950 QVPWRZVFLOYASU-LJQANCHMSA-N 405.502 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCN1CCOC[C@H]1C 1300547633 OYIZSERQHKZLCR-GOSISDBHSA-N 411.481 1.790 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@]2(O)CCOC2)CC1 1300690081 APKVHBGGMXSCBP-HXUWFJFHSA-N 419.888 1.644 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCCCS(C)(=O)=O)CC1 1300690570 NGJQQHUVTXVBER-UHFFFAOYSA-N 419.551 1.817 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)CC[C@H]2C1 1300733414 VNVPVMGKIRNCQK-INIZCTEOSA-N 418.567 1.374 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccn(C2CCOCC2)n1 1300948604 GKKGTRHIEGWMMG-UHFFFAOYSA-N 417.491 1.692 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1301021752 ZJEHWWKTESMFHC-SAYDWMHPSA-N 421.494 1.564 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(C)c2)C1 1301543680 OOEFPQWICBYORZ-FXAWDEMLSA-N 402.499 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)OCC)CC1 1301586065 HSGSWYAKIQQXPM-UHFFFAOYSA-N 411.528 1.110 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCCCO)c1 1302989444 KZISIQKJHUJZLZ-MSOLQXFVSA-N 410.478 1.914 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCO)CCO1 1303003192 DELWAFQGNBETGL-CQSZACIVSA-N 409.450 1.485 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC(C)(C)O1 1305204833 CEAKZSQGVWGBBM-OAHLLOKOSA-N 422.493 1.909 30 10 HDEE COc1cnc([C@@H]2CCCN2CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1O 1308143324 YZQJMQJVMBEBND-HOTGVXAUSA-N 402.499 1.020 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2cnc(Br)cn2)c1 1309735793 ASKBXXXHMAWWDG-UHFFFAOYSA-N 411.281 1.633 30 10 HDEE CCn1cnnc1Cn1c(N(C)C[C@@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1313854909 FQQFZONKKRTHLP-KXBFYZLASA-N 402.503 1.574 30 10 HDEE CO[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1315169069 XQZUYRQDDRPTHJ-MRXNPFEDSA-N 424.509 1.029 30 10 HDEE COCc1nocc1Cn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1315876045 SWSVHMAARNHEKO-UHFFFAOYSA-N 413.482 1.713 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1316538747 AJZZLWHSSOJTCW-WBVHZDCISA-N 419.482 1.171 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)C1 1321631408 RBDMEQBDHDGMGL-AWEZNQCLSA-N 401.916 1.995 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(C)=O 1358878081 PSZTUZOVKDWEBE-CQSZACIVSA-N 403.508 1.333 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N(C)C(C)=O)CC1 1358904251 ALMASSWSTVLUKG-OAHLLOKOSA-N 424.571 1.139 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1358933463 UTZNHRNFXZMSLN-KRWDZBQOSA-N 400.527 1.507 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1358964298 XCRJOMZTYZSHFM-FXAWDEMLSA-N 408.568 1.799 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(OC)C2CC2)CC1 1359043914 NRDMBJKVKJGMQR-JOCHJYFZSA-N 423.521 1.516 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CCOC)CC2)CC1 1359044238 AHYCSKCQSDNQDZ-GOSISDBHSA-N 415.538 1.565 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC(N2CCNC2=O)CC1 1359131054 GWRSRHXMUWCUHK-UHFFFAOYSA-N 412.498 1.322 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCOC1 1359256095 UTIQCBOAUBCYOQ-GCJKJVERSA-N 422.489 1.445 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)N(C)C)C1 1359324997 VZXWTTLPNYQNLO-CQSZACIVSA-N 418.523 1.139 30 10 HDEE CN(C)[C@@H]1C[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1(C)C 1452115644 IZBJRXYDSCOURI-RTBURBONSA-N 418.563 1.804 30 10 HDEE Cc1ccc(C(=O)N2CCn3c(nnc3C(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1453874704 AAFUNFSFDDRESY-UHFFFAOYSA-N 416.507 1.342 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1455445048 JRVIPXQIMSVPKS-LNLFQRSKSA-N 419.547 1.524 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)c3c(Cl)cccc3S2(=O)=O)c1 1459218316 ZYQQFFNNNFZOED-UHFFFAOYSA-N 410.860 1.830 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1462133422 ZQMFYCDTBZSEJO-JZXOWHBKSA-N 403.454 1.998 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)c1 1462871805 OOURSEAJRUCXOP-UHFFFAOYSA-N 406.485 1.130 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1466159503 KNDWIACLBLSRCU-UHFFFAOYSA-N 410.492 1.023 30 10 HDEE COC(=O)c1ccsc1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1468644394 RDUGSYSZXPWFBX-UHFFFAOYSA-N 407.473 1.992 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C1 1471832497 FECBFWRRFSRFFS-IEBWSBKVSA-N 423.604 1.609 30 10 HDEE C[C@@](C#N)(NC(=O)Cn1cc(Cl)cc(I)c1=O)C1CC1 1473032783 BKLZTSCELQGATB-ZDUSSCGKSA-N 405.623 1.915 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 1474938615 CGMOJIMYKLYNRP-UHFFFAOYSA-N 417.918 1.948 30 10 HDEE Cn1cc(N2CCN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)CC2=O)cn1 1478900605 CIFABVOEZZQPRR-UHFFFAOYSA-N 421.505 1.315 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1494658271 DXKHMXAYCZYLLV-KSFYIVLOSA-N 424.505 1.448 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1504886992 PUKSCIJDEZSPSP-OXJNMPFZSA-N 400.483 1.978 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC1(CS(C)(=O)=O)CC1 1507617664 YAWVEVWAMLHPNQ-QGZVFWFLSA-N 416.503 1.685 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1c(C)cccc1C)[C@H]1CCS(=O)(=O)C1 1507624842 FFWAMGXWTSYDEL-SFHVURJKSA-N 402.520 1.909 30 10 HDEE C#CCN(c1nnc(-c2noc3c2COCC3)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1507631263 NCPTYHPZACPCPR-CQSZACIVSA-N 417.491 1.209 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1Cc1nncn1C 1507649334 VPXHFRNDWSMMKU-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnc(C)s1 1507710837 LAKZRYAGZOTPLO-CQSZACIVSA-N 409.537 1.079 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1C[C@@H](C)CN1CCN(CC)CC1 1507765396 NQROMRPAKXFKET-WMZHIEFXSA-N 424.597 1.944 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1507814817 OOTKZCWXKDQMMC-HXUWFJFHSA-N 420.535 1.902 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1507844063 BKXBIECIOZBYFK-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2)CC1 1507878629 CCMRHZUTUGIFNK-KRWDZBQOSA-N 410.588 1.921 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1507946182 PEGRIMJVUIDMSM-OAHLLOKOSA-N 421.505 1.825 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1cnnn1C 1509712979 XCJLTWQWKKXYSP-AEFFLSMTSA-N 419.493 1.337 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1516704368 JMJSBVARVDWIQG-UHFFFAOYSA-N 406.512 1.181 30 10 HDEE CO[C@@]1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CCOC1 1517934137 VHKMGKLRHKQPCQ-JLTOFOAXSA-N 419.432 1.681 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CC1=O 1519205635 FPUILVDQXNGMLQ-IBGZPJMESA-N 424.505 1.537 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CNC(=O)COc2cccc(Br)c2C#N)C1 1519411481 DNXHSFMWDORZFX-NSHDSACASA-N 416.297 1.097 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1519595433 ZTBKECQOHFXHDN-UHFFFAOYSA-N 413.507 1.496 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)C2(C#N)CCSCC2)cc1 1535037074 FSZZDHPQDDMNII-UHFFFAOYSA-N 410.517 1.428 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)NCc2ccc(SC)c(C#N)c2)[C@H]1c1nccn1C 1537963965 FYNYSYYYQKESMP-ROUUACIJSA-N 413.503 1.618 30 10 HDEE CCCCN1C(=O)c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2C1=O 1538539488 HQRMAFAKRBRXKY-XOBRGWDASA-N 415.471 1.093 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539085863 SHMAKUAGKGUBIF-DWRORGKVSA-N 401.511 1.520 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1539119047 GCRQRXCSVMVEND-QGZVFWFLSA-N 411.510 1.629 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1539219011 BAWLXVPHNGYBAZ-HOTGVXAUSA-N 412.581 1.900 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CCc2ccc(OCC(F)(F)F)nc2)CC1 1539431968 XVPSOKZETZKJBP-UHFFFAOYSA-N 408.428 1.921 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2n[nH]c(C)n2)CC1 1539474028 HRSQVISUJMSIBY-UHFFFAOYSA-N 418.505 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@](C)(O)CCOC)CC1 1539477217 KHBBOSKLWFQHAS-NRFANRHFSA-N 403.527 1.299 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[S@](=O)C(C)(C)C 1540189114 JABSZEYXZNYZJP-NDEPHWFRSA-N 411.572 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C)C1 1540863998 MFUAUXDCPSNOGG-GFCCVEGCSA-N 423.315 1.573 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1540903453 DYZYWNIEPLULIV-DLBZAZTESA-N 412.556 1.462 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1540919432 AMFAHZDTBNCGDK-JXFKEZNVSA-N 421.567 1.704 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)N2CCOCC2)CCOC1 1541104854 BKQDSUUQDGSBFV-DBXWQHBBSA-N 420.558 1.635 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 1541117335 DMBCUOXRIDYSGV-SFHVURJKSA-N 410.570 1.886 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1541117465 HDIXWOSRYBCFCS-MRXNPFEDSA-N 419.489 1.772 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1541363549 CLCNGHFEFOPVIA-KRWDZBQOSA-N 422.537 1.909 30 10 HDEE CC1(C#N)CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)CC1 1541991721 JANMOHKCGMBTRX-QGZVFWFLSA-N 416.526 1.840 30 10 HDEE C#CCN(C(=O)c1cc(Cl)cc(Br)c1N)[C@@H]1CCS(=O)(=O)C1 1542211377 VVBDHFICBWHGTP-SNVBAGLBSA-N 405.701 1.947 30 10 HDEE Cc1ccccc1OCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1542779122 XQHWDZGBZVEHOE-DLBZAZTESA-N 410.478 1.736 30 10 HDEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1543122826 XMNQZEPQZFITOS-QJOMJCCJSA-N 417.491 1.416 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cc(C#N)ccn4)CC3)n2CCCCCO)cn1 1554333971 XAZMTEIQJYGHTP-UHFFFAOYSA-N 421.509 1.434 30 10 HDEE COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)c1 1555023408 BUFBSILMMNKSCE-ACJLOTCBSA-N 422.486 1.387 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1555720757 ZOOAJDQXTGLKEY-IBGZPJMESA-N 412.494 1.585 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2coc3c(C)c(Cl)ccc23)CC1 1558074801 IXUJWNKEKRFGLO-UHFFFAOYSA-N 409.895 1.549 30 10 HDEE C[C@H]1CN(c2nc3ccccc3nc2SCC(=O)N[C@H](C#N)CO)C[C@@H](C)O1 1569055236 NWZGFFQAEYQIIZ-HZSPNIEDSA-N 401.492 1.336 30 10 HDEE CC(C)(C)n1cc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)n1 1585138203 FGNSTVDXKSEAHP-BONVTDFDSA-N 415.313 1.411 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccc(Cl)cc2NCC(F)(F)F)c(=O)nc1O 1585295231 DKUODONBUDJRSR-UHFFFAOYSA-N 415.759 1.878 30 10 HDEE C=C(CN(C)C)C(=O)NC1CCN(C(=O)CCCN(C)C(=O)OC(C)(C)C)CC1 1585805637 XHDBIMKLPUVAPG-UHFFFAOYSA-N 410.559 1.859 30 10 HDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC)[C@H]1CCS(=O)(=O)C1 1588044979 DSCKMIWHFBHYLW-INIZCTEOSA-N 416.503 1.753 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCCN1CCC(O)CC1 1588638246 QJINGBVZFGFNAR-LJQANCHMSA-N 405.543 1.453 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(N(C)C)CCC2)CC1 1588967994 DMIYVIDSEDAVKH-GOSISDBHSA-N 414.554 1.580 30 10 HDEE C=CCn1c(CC)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1595411506 UWOUCGUSQFIRSG-MGPQQGTHSA-N 411.528 1.153 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1595517068 OLDOMSVKBZDDMS-GOSISDBHSA-N 421.505 1.424 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)Cc1cccc(C(N)=O)c1 1595561890 GDEUDSJUODNOJH-UHFFFAOYSA-N 419.489 1.301 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCS(=O)(=O)c1cccc(Br)c1 1595584264 KDFYXEILABTULG-UHFFFAOYSA-N 417.281 1.528 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C=C)CC1 1595823686 QLDGKRMHVVBENI-UHFFFAOYSA-N 407.540 1.404 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(c4nc(C)cc(O)n4)C3)cc2C1=O 1595960228 UHMAZDIUTCCNPR-HNNXBMFYSA-N 421.457 1.671 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCC2(O)CCC3(CC2)OCCO3)CC1 1596759394 PVKURNRZOACTFT-UHFFFAOYSA-N 422.522 1.801 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)C(=O)OC(C)(C)C 1597493176 PVWHVLKQDGOPCF-QGZVFWFLSA-N 400.479 1.559 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1608213801 UWVDUAPTLDYICH-ICFOKQHNSA-N 417.514 1.425 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)c1C#N 1609507091 FMNTXWDQXRJLAQ-LLVKDONJSA-N 402.405 1.703 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N[C@@H](CC#N)C(F)(F)F)C1=O 1616998166 MTFSDXPEJLWLDC-GUYCJALGSA-N 412.368 1.731 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO)[C@@H]1CCOC1 1617734115 BUPOBAINFFKDJU-VQTJNVASSA-N 410.522 1.889 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnnn1C 1618180760 GTTBFGVYHYDCNZ-UHFFFAOYSA-N 400.450 1.462 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1618453522 RRIKAGWVACRHGI-LSDHHAIUSA-N 415.918 1.872 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1620357918 UUXCPZSVSDKCPN-HNNXBMFYSA-N 414.491 1.823 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CC(=O)Nc1cccc(C#N)c1 1620428231 DFMZRQHTZPYTBQ-FQEVSTJZSA-N 404.467 1.085 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2cc(C(=O)N[C@H]3CCCN(O)C3=O)ccc2C1 1625082930 XJKIHTVKYHEACL-HNNXBMFYSA-N 405.451 1.926 30 10 HDEE Cn1nc(NC(=O)OC(C)(C)C)cc1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1626503215 PMENLRMNMMBZIW-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)CCN2C(=O)CCNC2=S)ccc1OC 1627826440 BITTWWNOLMEVKG-AWEZNQCLSA-N 404.492 1.489 30 10 HDEE COc1ccc(CNC(=O)c2ccc(Br)cc2C#N)cc1S(N)(=O)=O 1629111866 BPPNONZFKKDTHY-UHFFFAOYSA-N 424.276 1.907 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCS(=O)(=O)C(C)(C)C)s1 1629235012 ZJYRAXMCIRQUHI-UHFFFAOYSA-N 408.567 1.084 30 10 HDEE C#CCN(C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C1CSC1 1632571505 COWWPJSUAAQBNN-UHFFFAOYSA-N 424.452 1.937 30 10 HDEE C[C@@H](CC(=O)NC[C@@H]1Cc2ccccc2CO1)/N=C1/NS(=O)(=O)c2ccccc21 1633926180 ZRGVYIIOPWMPEU-YOEHRIQHSA-N 413.499 1.761 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)C1=O 1634109756 MDOVDEZUVPPXKN-OAHLLOKOSA-N 407.511 1.384 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2coc(/C=C/C(=O)OC(C)(C)C)c2)CC1 1634876199 HFSCCKSFMDRVGM-VOTSOKGWSA-N 401.463 1.142 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)C(=O)OC 1635158921 OEXDTDOQYFKNPI-LBPRGKRZSA-N 410.275 1.871 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC3(CCOCC3)C2)s1 1636108348 GQQGSSWQLGCDKQ-UHFFFAOYSA-N 400.522 1.163 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@]12CCOC2)C(=O)OC 1639559386 ZJISJHSREVMZHL-IPJJNNNSSA-N 402.491 1.386 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCc1nc(C#N)cs1 1639619033 JMQVHSYTDHURKV-AWEZNQCLSA-N 410.546 1.731 30 10 HDEE C#CC1(O)CCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1641976326 DEBJLZANRFVAJQ-UHFFFAOYSA-N 405.303 1.649 30 10 HDEE CC[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1645006213 SPSOZJJRUZXVLU-CQSZACIVSA-N 409.508 1.976 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(OCC(F)(F)F)nn3)CC2=O)cc1 1645212205 IUMBCKMYRATVIB-ZDUSSCGKSA-N 419.363 1.959 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](Cc4nn[nH]n4)C3)ccc2c1=O 1645346206 HPFGZYGRICUJIN-LBPRGKRZSA-N 411.491 1.479 30 10 HDEE C#CC[C@@]1(C(=O)N2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CCCN1C(=O)OC(C)(C)C 1648633061 FWXNNRMSYBKSKE-HBMCJLEFSA-N 403.479 1.291 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1660987752 CILJGCOIWHPILN-MRXNPFEDSA-N 410.451 1.354 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)c(=O)nc1O 1667542656 FMEIITDOORPLFK-MUUNZHRXSA-N 415.353 1.270 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(OC3CCCC3)cc2)CC1 1672614281 MHBVQYHYINQFFY-UHFFFAOYSA-N 420.535 1.303 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc3c(c2Br)S(=O)(=O)CC3)CC1 1673947957 SYCIYZHUFXSJHJ-UHFFFAOYSA-N 413.293 1.771 30 10 HDEE CCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1C 1678622847 GXNDOXIVDSWBOZ-UHFFFAOYSA-N 402.480 1.393 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1 1683425884 RHUAMBVFNRTSHG-UHFFFAOYSA-N 405.502 1.896 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC[C@@H]3CCCS3)CC2)cc1 1684240962 GULNBRBQDJJVES-INIZCTEOSA-N 408.549 1.860 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3cccc(C)c3C)CC2)C1 1685265004 YMNPFEKAEVCKFA-FQEVSTJZSA-N 411.550 1.667 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CC1(CS(C)(=O)=O)CC1 1689855687 AQQSLBVTVFIOTG-CYBMUJFWSA-N 407.565 1.917 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CN(CC(C)C)CCO2)c1 1689868320 CIHRHWSRURNDSD-OAQYLSRUSA-N 424.549 2.000 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCc1cn[nH]c1)[C@H]1CCS(=O)(=O)C1 1689994216 UFCPBINCYONKBD-SFHVURJKSA-N 416.551 1.603 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCC(F)F 1690028436 WEPDAKSOKSWLBS-RHSMWYFYSA-N 407.465 1.651 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(C)n(C)c2=O)n1 1690108312 UKFVZYOUUADRCA-UHFFFAOYSA-N 409.494 1.125 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1690294712 XIRVKNCVTWQQLO-KGLIPLIRSA-N 400.508 1.561 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1690345722 BPXSSBNHHVKBDX-KGLIPLIRSA-N 404.920 1.174 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCc2ccccc21 1690515487 NQSALPNXBLWYMU-MRXNPFEDSA-N 418.567 1.963 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1698492853 GISVTSRYFVAFCK-SJLPKXTDSA-N 412.469 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1n[nH]c(C)n1 1705485969 TZEFKFDLDGBYNI-ZDUSSCGKSA-N 403.454 1.048 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1705491278 AKZILDHZZUMANM-CVEARBPZSA-N 418.542 1.987 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564341 BSTLABUWLOPHRI-STQMWFEESA-N 406.430 1.361 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1CCc1ccc(S(C)(=O)=O)cc1 1705587311 QBKPNCAFJZIARQ-UHFFFAOYSA-N 400.504 1.534 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(CO)c1 1705589488 REPKGICOELZCJA-UHFFFAOYSA-N 414.469 1.929 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(C)C)CC1 1705633165 LBMNXPFTQWNESI-MRXNPFEDSA-N 410.588 1.326 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2Cc2cnn(C)c2C)CC1 1705642817 IKOLOFQGZSKFST-UHFFFAOYSA-N 423.496 1.842 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1705734081 CFJIPCOEUGUATP-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1705740884 ZNODIDZZTQNHSZ-FVJLSDCUSA-N 419.526 1.238 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H](OC)[C@H](OC)C1 1705899209 LBWJDJUVGFXGFV-IYBDPMFKSA-N 405.886 1.751 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705909452 XNVSVVHBDYNCJL-NHCUHLMSSA-N 421.542 1.626 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)C1 1705924703 FUKWIZDNQXNSPG-IRXDYDNUSA-N 419.526 1.583 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1705940266 ZLMUBYIEHUYGRG-UHFFFAOYSA-N 420.583 1.882 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC1(F)CCC1 1706622255 ODSQUDCSOCFLPS-INIZCTEOSA-N 403.506 1.875 30 10 HDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1708817973 FGAICUQCDLGSDC-KRWDZBQOSA-N 417.535 1.991 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709301121 XVCYXSFBGSKUEH-NHWLHPCLSA-N 400.483 1.545 30 10 HDEE CN(C)CCOCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1711017610 TWJYBNBQZABIBM-HXUWFJFHSA-N 424.553 1.019 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O)C1[C@@H]2CCC[C@@H]12 1711028292 QMLJIIHPRVWIPD-IAGOWNOFSA-N 414.535 1.991 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1711274018 MGKZJMLJOYCABN-MSOLQXFVSA-N 405.865 1.502 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1722368672 UOAVMVDOWFPWLY-INIZCTEOSA-N 408.568 1.799 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1722424327 JPRAAIMKYXMZIO-XUTLUUPISA-N 420.473 1.558 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC=C 1722427362 UHDMDBDBBOMFGR-INIZCTEOSA-N 405.499 1.859 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCCS1(=O)=O 1722514636 DYXQENNCEDCDTL-UHFFFAOYSA-N 421.571 1.578 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CC(OCC)C1 1722638993 VLJPIHHSQIIOJU-BATSVXPKSA-N 418.542 1.121 30 10 HDEE C=CCn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722690248 CJMWZXGMRJBWEO-QLFBSQMISA-N 420.514 1.186 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1722692466 NCGVHSWZFKDLAD-KPHUOKFYSA-N 418.498 1.003 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCO[C@H]2CCOC2)n1 1725931555 VWSCBRGWOCBJFV-YJBOKZPZSA-N 401.515 1.931 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1730479684 GQUXRIIGUNXBRL-CJNGLKHVSA-N 409.487 1.671 30 10 HDEE CS(=O)(=O)[C@@H]1CCCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1731000423 QURGWUHGSFITEZ-RHSMWYFYSA-N 419.507 1.698 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCS(=O)(=O)NC(C)C 1740556661 FBZLPFRFPTTYIC-KRWDZBQOSA-N 419.551 1.951 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740574773 LDTKOGDDIFAOHG-NVXWUHKLSA-N 417.535 1.798 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1740575928 WUZDVXONIJRTAB-OAHLLOKOSA-N 409.556 1.335 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1740580752 HMKIXBNYEPKNHX-MRXNPFEDSA-N 419.555 1.415 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1740589664 DTCRRQLAMJQCHV-RTBURBONSA-N 416.570 1.622 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2conc2COC)CC1 1740693801 NFPNLPFSRWKTOS-UHFFFAOYSA-N 422.489 1.892 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1740836421 PCDQZZQDYREMLH-DQLDELGASA-N 406.527 1.873 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2cccc(OC)c2)CC1 1740946316 HZOSRGMONRYUPS-GOSISDBHSA-N 424.505 1.315 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1741303273 SAVVHASIAUYOIE-NJNPRVFISA-N 408.506 1.939 30 10 HDEE CCOC[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1747288546 JDHFBDFIXNMUKB-QBNCKDSPSA-N 416.526 1.866 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1748074121 JOCPPAFGFQRLIV-HNNXBMFYSA-N 413.438 1.354 30 10 HDEE C#CCCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1748721227 FCINYRBHXWIQCN-UHFFFAOYSA-N 409.538 1.278 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820008 XAEWEUHAKJQVBG-HOCLYGCPSA-N 408.549 1.592 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCOC1 1748883265 ZBNKBIDGACXVMI-QHCPKHFHSA-N 416.485 1.745 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1748888343 UCDNSJQHVITTLE-SFHVURJKSA-N 410.522 1.483 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(F)c(F)c1 1748948316 LZHMLJFSHIWPPD-UHFFFAOYSA-N 403.433 1.927 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC(=O)N(C)C1CCCCC1 1748959436 SZUNWTKPAAHXEO-UHFFFAOYSA-N 411.510 1.612 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749268800 HJKXONKFURUXDD-GJZGRUSLSA-N 417.963 1.690 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(OC)CCCC2)C1 1749711757 CAGAOEZMJIDVAB-SJORKVTESA-N 424.567 1.921 30 10 HDEE CC(C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1750070097 PZKILLGVZWXYMZ-CYBMUJFWSA-N 401.471 1.516 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1750079352 PRZCHLDBEWDWBO-WWMYMODYSA-N 416.526 1.725 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C)C1 1760138425 YIFZAHQIYJQCJA-ZACQAIPSSA-N 409.556 1.507 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1=CCCOC1 1760164898 DGDYZVXWSRJQMM-UHFFFAOYSA-N 414.535 1.963 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1NC(=O)CC1(C)C 1760171203 HRCOVZQCPPUKQV-OAHLLOKOSA-N 405.462 1.578 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCOC1 1760223496 ULLWCSIYODFGQY-JOCHJYFZSA-N 410.474 1.480 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@](C)(O)CC)CC1 1760255051 TZCGAQPFTZBOQE-QFIPXVFZSA-N 413.522 1.879 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCC(=O)NC(C)C)CC1 1760262571 QYXVEEWXVCTKSS-UHFFFAOYSA-N 424.549 1.547 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 1760372322 FQFRWASXROSBEU-UHFFFAOYSA-N 405.934 1.980 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)CNC(=O)C2 1760452297 KPSZWPRMLRUVBI-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1Cc2ccccc2[C@H]1C 1760522358 RQNUXCFXLOBUKS-GDBMZVCRSA-N 415.519 1.564 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCN2CCCC[C@@H]2C1 1760552160 DZDJFEFFVAVKJO-QGZVFWFLSA-N 418.567 1.559 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@@H](C)[C@@H]2C)n1Cc1ccc(C#N)o1 1761506183 WUWKWRAYWHAPDP-AVGNSLFASA-N 424.552 1.731 30 10 HDEE CCNC(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)CCC1 1765605902 AZGHJHLSHOABSI-OAHLLOKOSA-N 401.515 1.416 30 10 HDEE CCOCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1768089145 SXYGPQUTECLLGR-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1769982943 CAYOJWGSEIULBT-AUUYWEPGSA-N 419.507 1.099 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCN(C)C 1770446437 PXWNYHPPJUTTOI-NRFANRHFSA-N 416.501 1.898 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1770788146 FNTNLZYOIJFCAS-KSSFIOAISA-N 415.408 1.347 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C)C1 1772887307 RAJKKFISOQQHPA-OAHLLOKOSA-N 418.523 1.371 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3nc(-c4ccncc4)ccc3=O)CC2)cc1 1849757403 AIJCTYMFOLEYQQ-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE N#Cc1cn(CCN2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)c(=O)nc1O 1852625169 MFMMMTFGORVCLO-UHFFFAOYSA-N 421.436 1.239 30 10 HDEE N#CCC(=O)NCCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nc1 1852688745 MGJBTZIPAHMCHB-UHFFFAOYSA-N 407.474 1.590 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)nc2)CC1 1852729248 ANIWJCBLOWTMAS-FQEVSTJZSA-N 419.485 1.915 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)c3cnn(CC)c3C(F)(F)F)C(=O)C2)C1 1854212973 IYNFNZCPGKZRGM-AWEZNQCLSA-N 413.444 1.857 30 10 HDEE Cc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O 1854485610 WLKBCDJZZMCOAO-UHFFFAOYSA-N 412.471 1.714 30 10 HDEE CCOc1ccc2ccccc2c1C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854694880 SXEKLEMYYJANMP-CQSZACIVSA-N 415.471 1.765 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@@H]1C 1854788524 IPGWVPQOJLUSRV-GOEBONIOSA-N 424.523 1.080 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)c2ccccc2)C1=O 1854798058 IXCKTAWZYLZIEX-IBGZPJMESA-N 404.474 1.690 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CC(C(=O)N4CCCC4)C3)CCC2=O)cc1 1854837068 HOPALGLTOJABHW-LJQANCHMSA-N 408.502 1.420 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3cccnc3)C2=O)CC1 1854864836 ODTAVRKXTFGRJP-LJQANCHMSA-N 405.458 1.880 30 10 HDEE Cn1nncc1C(=O)N1CCCC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O 1855711958 LLSVYKVZLPPNBH-SFHVURJKSA-N 406.490 1.894 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(C3CC3)n(C)n2)CCN1CCOc1ccc(C#N)cc1 1855943303 ADJJOYYFIGOCEH-HNNXBMFYSA-N 407.474 1.921 30 10 HDEE CC(=O)CCC(=O)N1C[C@H](CN2CCC(COc3cc(C#N)ccn3)CC2)CC1=O 1856928816 LAHSHEKTPPTCBM-IBGZPJMESA-N 412.490 1.788 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCn2ccnc2C)C1)[C@@H]1CCN(C)C1=O 1857080014 JCEHZWJIAVIBLQ-ZWKOTPCHSA-N 401.511 1.066 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3nccnc3N3CCOCC3)C2)CC1 1857242372 FJUQVCSUQIVWPR-SFHVURJKSA-N 413.522 1.590 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1 1858317592 XAXKHEWWNJJBGO-INIZCTEOSA-N 423.491 1.747 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2c(F)cccc2F)cc1 1858966193 FKDYORGVEZCCFB-UHFFFAOYSA-N 422.409 1.872 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2CC 1864319202 PBVALXDVEPCBPJ-SCLBCKFNSA-N 412.490 1.968 30 10 HDEE N#CCc1[nH][nH]c(=NC(=O)c2c[nH]c3ccc(N4CCCCC4)cc3c2=O)c1C#N 1866464392 NEPGUCHWGXCGLB-UHFFFAOYSA-N 401.430 1.853 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N(CCN)C(C)=O 1868794764 GDCGXKKNXANVSW-IRXDYDNUSA-N 419.551 1.253 30 10 HDEE CCCCCCCCC(=O)Nc1nc(N(C)CCO)nn1[C@H]1CCS(=O)(=O)C1 1870029827 SOSFLCMQVAYAHW-HNNXBMFYSA-N 415.560 1.755 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCCCCCO)sc2c1CCC2 1872707209 HZBRSTBEUSQYNA-UHFFFAOYSA-N 419.463 1.401 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccc(C#N)cc1 1889054808 AAIRYWHBQCPFPP-UXHICEINSA-N 416.547 1.400 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)CC1 1890788237 CKHPAFDFRCRODN-UHFFFAOYSA-N 423.513 1.665 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)CC1 1890916019 WFXRGYCROGOHDU-KRWDZBQOSA-N 405.524 1.195 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)S(=O)(=O)CCC#CBr 1990658285 UPHPHFTXOBBKMN-JTQLQIEISA-N 412.302 1.904 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc(Br)n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c2ccc(C#N)c(Cl)c2)C1 2183272425 SWYCJPZUOXSTKX-GJZGRUSLSA-N 415.899 1.860 30 10 HDEE C#CC[C@@H](C)CN(C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197743035 CFZDLDKRFRRKNC-HUUCEWRRSA-N 400.541 1.917 30 10 HDEE CCCN(Cc1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2235505369 MCMPHYNSKZZAFA-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE CN(CCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2243402219 FDABEHGEQAHXLQ-UHFFFAOYSA-N 408.308 1.696 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)nc2)OC1(C)C 2247836331 AJEKPXIRMZRHAW-SFHVURJKSA-N 408.311 1.780 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(OCc1ccccc1)C1CNC1 2247911634 XKFPVXDZQPZXKJ-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@@]23C[C@@H]2CN(Cc2ccccc2)C3)OC1(C)C 2255699870 UBPGIRYBKBTONK-UZUQRXQVSA-N 420.322 1.780 30 10 HDEE CCCN(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258160012 IHLWNBGAWLHDNK-MRXNPFEDSA-N 411.480 1.410 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2269039641 HSEFSEIFGTUIDD-SNVBAGLBSA-N 407.344 1.142 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)[C@]1(CN)CCOC1 2281965466 CAXCHPZCIVZIPZ-KRWDZBQOSA-N 400.737 1.891 30 10 HDEE CO[C@H]1C[C@@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281972516 NNNDTCMYKYIMSI-QWRGUYRKSA-N 401.721 1.923 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282029010 MNSBKLKKYKRUIY-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE CNC(=O)C1(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282309344 DDIYGZBRXBGONS-UHFFFAOYSA-N 420.749 1.258 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(C)COCCO2)OC1(C)C 2282331023 IPAURPDQGJRYRD-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1N 2282343639 RAOHZVFUDKVSNC-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282345039 NLYRWTDJPQNIDE-PSASIEDQSA-N 415.264 1.637 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2282502214 HXQMXBURDTWGPB-GXTWGEPZSA-N 401.359 1.580 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282633592 ALQGEVSMRVDULA-NWDGAFQWSA-N 401.359 1.941 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)[C@@H](CN)C1 2282834172 QECGFAONYRNVER-YPMHNXCESA-N 400.375 1.571 30 10 HDEE C[C@H]1CCC[C@]1(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282860416 ZTRSZNLVAVSHDY-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@]2(C)CCNC2)c1B1OC(C)(C)C(C)(C)O1 2282866472 KCYNXLUZCUXOBJ-KRWDZBQOSA-N 400.375 1.694 30 10 HDEE C[C@H]1[C@@H](CO)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869834 IZVJLINXVBQSOX-QWHCGFSZSA-N 401.359 1.580 30 10 HDEE C=C(CS(=O)(=O)NC[C@]1(C)CCCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282870465 SKCXFEHFTHVRBE-INIZCTEOSA-N 407.363 1.308 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284404999 FCARHTUZKFDBNC-GFCCVEGCSA-N 401.315 1.531 30 10 HDEE CS(=O)(=O)C1(C#C[C@]2(OCC(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)CC1 2342038792 AIISJNKISOFWOR-OXQOHEQNSA-N 421.471 1.496 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2C[C@H]2CC(=O)O)OC1(C)C 2360944399 RNTNKBQXMKBNSC-WDEREUQCSA-N 401.315 1.436 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCCCCCCS(N)(=O)=O)C1 2364252085 IDRGNMFEEHYQQD-UHFFFAOYSA-N 401.529 1.258 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)O[C@H]2C1 2365175589 IPXCKNSUSUOEMV-FZKCQIBNSA-N 401.525 1.588 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365207511 OZIJOJXICWFJTH-ARFHVFGLSA-N 402.557 1.409 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2365211005 KGRNTHTWOIOGMV-DOXZYTNZSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)C1 2365240906 JXIMIHKNMFRUHX-GOSISDBHSA-N 403.497 1.684 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367784992 DAGCGTJRMOGKDB-CXAGYDPISA-N 403.497 1.730 30 10 HDEE COC[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CC2)CCCCN1C(=O)OC(C)(C)C 2367799304 ZOYZEFRHZJMZGT-DNVCBOLYSA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2367807348 SIBBEYFQBGCNHE-BZUAXINKSA-N 400.541 1.163 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2375785805 TWWPHWQLSRUJEB-QWQRMKEZSA-N 402.513 1.514 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2ccc3c(c2)OCO3)c1 6433707 UGUDCYUUVOZRBT-UHFFFAOYSA-N 403.412 1.919 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(O)cc2)n1N 20528348 IUAQHXRDKVTGMF-KEBDBYFISA-N 413.463 1.883 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)CC2=O)c1 238821026 CQSGGCCLUIUZFI-QFBILLFUSA-N 406.442 1.995 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)CCO1 409496082 RZXIKFLIDACUOH-JKSUJKDBSA-N 402.480 1.120 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)C1=O 410178987 PLJRJUSBAYVSPW-XYJFISCASA-N 401.511 1.354 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)cc2)cc1 432182606 OZRUQAFDOIFGIG-UHFFFAOYSA-N 407.517 1.971 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 435887003 FBOBXBKXEUMKJD-DEYYWGMASA-N 408.476 1.384 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(CCO)C2=O)cc1 442276665 QMALFTGYZDPNFT-GOSISDBHSA-N 422.441 1.389 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 460548447 GUPZAISMXDTBDG-IBGZPJMESA-N 423.521 1.912 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 464398928 MZGKCYGSPWDSPS-LAQRGFTBSA-N 403.431 1.825 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3c(O)nc4ccccc4c3=O)CC2)c(Cl)c1 470214944 HVKACYFUGAKSJB-UHFFFAOYSA-N 423.860 1.976 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c(F)c1 480717546 UBIGWRLUBFPSRC-WIYYLYMNSA-N 417.506 2.000 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)CC2)s1 489509885 BILYZQSZELATLS-UHFFFAOYSA-N 424.479 1.841 30 10 HDEE CC[C@H](C)NC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 492781139 AZNUKKMTOKLTJF-LSDHHAIUSA-N 417.579 1.968 30 10 HDEE Cn1ncc(Br)c1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 495061440 CFOUDCRLYNKVRG-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 502102171 YPYRKCNDQCDXPW-MAUKXSAKSA-N 422.528 1.974 30 10 HDEE C[C@@H]1CN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CCN1c1nccn2cnnc12 503607544 IOKKRYQOTJYVPT-VLIAUNLRSA-N 413.482 1.423 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3nnc(CC(=O)OCC)s3)cc2C1=O 505071897 PXBCOJVQOUNZSO-UHFFFAOYSA-N 400.416 1.678 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(OC)cc(OC)c1 508936696 SVODUSLGTNVLGR-CYBMUJFWSA-N 409.512 1.728 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CC1 514033662 XECZQILGUQAUIU-UHFFFAOYSA-N 420.535 1.783 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 515665177 MRBDCDUEDGWEEU-UHFFFAOYSA-N 418.503 1.637 30 10 HDEE N#CCCCS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1 522063343 UNOLFBRWXWAKEG-UHFFFAOYSA-N 418.441 1.895 30 10 HDEE CN(C)c1nc(O)cc(C(=O)N2CCN([C@@H](C#N)c3cccc(Cl)c3)CC2)n1 525947469 ZRDNGPCARVVVHT-INIZCTEOSA-N 400.870 1.924 30 10 HDEE CC(C)C(=O)N1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 537258815 JXUUIMASLYLZIN-QGZVFWFLSA-N 403.552 1.257 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 549326191 KEHZBWDKJYLKJN-CVEARBPZSA-N 423.583 1.887 30 10 HDEE CN(CCC#N)C(=O)CCN1CCN(CCC(=O)N(C)CCC#N)[C@@H]2CCCC[C@H]21 550091103 BQUQZZZIDRBWIX-WOJBJXKFSA-N 416.570 1.440 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 553569952 PNJOHYPSNFRYAI-HNNXBMFYSA-N 409.464 1.439 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 569791617 PRNIMFYFYNGYGI-MRXNPFEDSA-N 424.513 1.248 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@@H](Cc2cc(F)c(F)c(F)c2)C(=O)O)cc1C#N 583120109 YILQSOOOIAWPNE-GFCCVEGCSA-N 413.377 1.901 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CC1 611244098 ALNOXQIAZQHMAD-GYPPFNJCSA-N 403.571 1.720 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 729333884 BABSCNTVKGPTKB-RTBURBONSA-N 402.516 1.117 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)cc(C)c1 730140849 HWMWWGVPQBTEDH-KRWDZBQOSA-N 406.552 1.949 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2ccc(-n3cc(Br)cn3)nn2)nc1 749341844 BUCCGXTXCUMHJZ-UHFFFAOYSA-N 413.239 1.533 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)cc2C)n1 764646987 IOTJBOMELBBBGT-UHFFFAOYSA-N 410.459 1.886 30 10 HDEE C=C(C)CN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 777467178 IOQCXFRCNPGNLY-OLRQPGBRSA-N 403.552 1.568 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1 780848095 JIKWSMDCWIUIMI-GOSISDBHSA-N 419.890 1.778 30 10 HDEE Cc1cc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCO 782845916 OJCVJIUYFJTAMQ-AWEZNQCLSA-N 417.487 1.822 30 10 HDEE C#CCOCCNC(=O)N[C@@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788829169 XGLZPKVOHFNHIP-MSOLQXFVSA-N 415.490 1.619 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)CC(C)C)CC2)n1 788939462 RMJLAVWKKNYTML-UHFFFAOYSA-N 403.527 1.711 30 10 HDEE CN(CC(=O)[C@@H](C#N)c1nc(O)c2ccccc2n1)C1CCN(c2cnccn2)CC1 789372682 XHBSQUIHPXASAF-QGZVFWFLSA-N 417.473 1.902 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)OCc3ccc(C#N)c(F)c3)cnc21 791371315 UBGLEUBVORIXFQ-UHFFFAOYSA-N 420.198 1.647 30 10 HDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 795182758 GJAWTASNYFVHAZ-ZPACOGKWSA-N 417.579 1.791 30 10 HDEE CSC[C@H](C)C(=O)N1CCC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)CC1 799611656 WZFLIFYZPDQFFE-AWEZNQCLSA-N 423.560 1.909 30 10 HDEE CCN=c1nc(NCC)n2c(SCC(=O)NCC3CCC(C#N)CC3)n[nH]c2n1 799735010 JMRQGHGHZUWVIA-UHFFFAOYSA-N 417.543 1.343 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1 802659384 RVPVCYOXJFPKKH-UHFFFAOYSA-N 423.397 1.952 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 804457380 ULFXZKZNAQNDSD-MAUKXSAKSA-N 413.499 1.203 30 10 HDEE C#CCN(C(=O)c1cn2c(Br)cnc2s1)[C@H]1CCS(=O)(=O)C1 815089966 GZGUPCJPCMHFFP-VIFPVBQESA-N 402.295 1.421 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nc1 858059315 LZOBZHLUXAFFCZ-RDJZCZTQSA-N 414.487 1.608 30 10 HDEE COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)c1 917767663 CTLWLBLMFGRDPF-GOSISDBHSA-N 411.483 1.141 30 10 HDEE N#CC1=c2oc(=O)c(=Cc3cccc(F)c3)n2-c2oc(N)nc2[C@@H]1c1cccc(F)c1 1084265627 MXRGFFPKWMEUQO-QGZVFWFLSA-N 418.359 1.927 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)C2)nc1 1129338671 KYTRMLLYXPBDJP-GOSISDBHSA-N 401.426 1.857 30 10 HDEE C[C@@H]1C[C@H]2CC[C@@H](C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CN2C1 1136149675 UPTUZJYMGJTNLX-BHIYHBOVSA-N 416.547 1.512 30 10 HDEE CC(=O)OC[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1154151179 BIKZIGFQGWFIPN-SJLPKXTDSA-N 417.462 1.433 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1159247645 IXSZWPSVUZPNPA-NVXWUHKLSA-N 423.535 1.453 30 10 HDEE COC[C@H](C)n1c(SCC(=O)N[C@H]2CCCN(O)C2=O)nnc1-c1ccccc1 1159642207 VOMUBHINRXYCLQ-ZFWWWQNUSA-N 419.507 1.741 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2ncc(C#N)cc2Br)C1 1163204755 ANFCBGKUUORRIE-CYBMUJFWSA-N 417.329 1.593 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CCN3[C@H](C)CC[C@H]3C)CC2)c1 1167298698 YADSNJCOSTWEJI-RTBURBONSA-N 411.550 1.806 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN[C@@]2(C(N)=O)CCOC2)cc1 1171571773 BLGACVDOGQBXFA-NRFANRHFSA-N 411.462 1.147 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN(CC2CC2)[C@H](C(N)=O)C2CC2)CC1 1175503584 PEGJAUOWNYGMKC-XLIONFOSSA-N 415.563 1.433 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC[C@H](C(F)(F)F)O1 1177429715 DZLAALPIUZKBFT-GXFFZTMASA-N 405.398 1.341 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(C#N)c1=O 1187783809 VIRJWYXXSPOWBW-RNFRBKRXSA-N 418.244 1.552 30 10 HDEE CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cn2cc(C#N)nn2)cc1 1189449550 FYJOXAFOIVWCOR-UHFFFAOYSA-N 410.459 1.609 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(CNS(=O)(=O)CCC)cc1)C1CCOCC1 1213181738 PGKZJNHYCMLBAZ-GOSISDBHSA-N 414.549 1.223 30 10 HDEE C=CCn1cc(CNC(=O)NCCNC(=O)c2ccc(Br)cc2)nn1 1221318595 YQUKZGQSHWKSKI-UHFFFAOYSA-N 407.272 1.456 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1254887323 ZJGWTCHNPOYAFI-KRWDZBQOSA-N 408.543 1.657 30 10 HDEE C#CCN(C(=O)[C@H](OC)c1ccc(Br)s1)[C@H]1CCS(=O)(=O)C1 1264995915 XFIILBPOOPUXNP-GXFFZTMASA-N 406.323 1.847 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)CC2=O)cn1 1270685201 ALDHWAYSMNLWHN-OAHLLOKOSA-N 412.881 1.647 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1286287993 FFEXSIBEWHDAMP-HRCADAONSA-N 422.489 1.190 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1286358047 RXEYWVYDLMQFGQ-INIZCTEOSA-N 411.462 1.920 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](C)N2CCOCC2)CC1 1286478995 NQUREDYXWIDFQY-OAQYLSRUSA-N 422.577 1.653 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286509134 MXEIJFSJDVQSLL-HXUWFJFHSA-N 418.567 1.658 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)C 1286744501 KRNXCPPZQCEEFF-UHFFFAOYSA-N 402.474 1.836 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(C(C)(C)C)CC1 1286787480 GPAUYKFOKYFGCY-OAHLLOKOSA-N 421.567 1.665 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286793582 ZANIJMXIWQEQEZ-UHFFFAOYSA-N 418.542 1.346 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCN2CCCC[C@@H]2C1 1286820525 MVCNLTYOMBQRQI-MSOLQXFVSA-N 423.583 1.795 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1286971362 VRINNMYYSQDETF-IFXJQAMLSA-N 418.523 1.671 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2csc(C#N)c2)C1 1288730930 PINIDYJSRNBOPP-CQSZACIVSA-N 413.521 1.774 30 10 HDEE O=C1CSC[C@@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1289423865 AOBNAFNBAGEGEO-QYNIQEEDSA-N 412.302 1.847 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccc(O)cc3)CC2)s1 1290083456 HLQKMMGPIDNAHJ-UHFFFAOYSA-N 421.544 1.809 30 10 HDEE CC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1293621184 BJXLHGTVROXPSQ-SIKSDLMGSA-N 414.510 1.761 30 10 HDEE CC[C@H](CO)N1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1295241511 WXNUVBQPBLKNFN-QGZVFWFLSA-N 421.339 1.672 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCS(=O)(=O)CC 1297353526 CUDABIGARWYOHN-MSOLQXFVSA-N 417.535 1.993 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2C)C[C@H]1O 1299421038 PCOXLNXXGMXARO-MOIQIXESSA-N 411.462 1.670 30 10 HDEE CO[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1299678147 MQQVZYDAWXQJLF-CZUORRHYSA-N 416.482 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCc1cnn(C)n1 1300319752 CQUSKCRNLUASAE-CQSZACIVSA-N 412.523 1.489 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1ccc(C(N)=O)nc1 1300323277 YKRJMYWBKOYKNY-CQSZACIVSA-N 408.437 1.996 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NCC=C)c1 1300334321 LPNLTZIKNVBYIM-QGZVFWFLSA-N 422.489 1.140 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1300357256 KUFPBKLZAKANKD-MSOLQXFVSA-N 411.510 1.827 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(CC)C(=O)C1 1300883914 GAUWEUVSMXZLGE-MDZRGWNJSA-N 416.526 1.269 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@](C)(C(F)F)O1 1301084951 QEEVGXBSQDMBLR-PSTGCABASA-N 401.435 1.496 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C)[C@H]1C 1301497168 QMRLDNLGWJYYGJ-HUUCEWRRSA-N 421.505 1.729 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(Cc3cncs3)CC2)ccc1F 1301923313 DWPUQGDAZVLLGC-UHFFFAOYSA-N 424.523 1.705 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1302286973 OXMPVAVXLVDXNF-AUSJPIAWSA-N 422.505 1.606 30 10 HDEE CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1nc(C#N)cs1 1304187631 SDDRCGYJJHPYFZ-TZMCWYRMSA-N 407.540 1.857 30 10 HDEE CCOc1ccc(CCN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1304843497 WSDXMROUUFSVLD-UHFFFAOYSA-N 401.488 1.936 30 10 HDEE C#CCN1CCN(C(=O)CN2[C@H](CNC(=O)OC(C)(C)C)CC[C@@H](C)[C@H]2C)CC1 1307880107 AAWOKDLOVXSCDS-QRVBRYPASA-N 406.571 1.778 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1307969763 SYBLOYTYSFANOZ-IAGOWNOFSA-N 418.567 1.145 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCCO1 1314641552 BACYBWTUALDRAH-GOSISDBHSA-N 412.494 1.822 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)C(C)C 1316101539 MHFRDJCHDUNBJW-FQEVSTJZSA-N 418.498 1.779 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)CC3(C#N)CCCCC3)c2)NC(=O)NC1=O 1320501428 VCGPNLDLOHLELB-SFHVURJKSA-N 404.492 1.635 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2n[nH]cc2I)cn1 1338164535 VEUXHTPZOZUFOW-UHFFFAOYSA-N 405.159 1.719 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)NC(C)C 1358953434 XKRIPXLZIOGQHM-UHFFFAOYSA-N 419.551 1.871 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1358975690 AQXNWVSGEQAWQB-IBGZPJMESA-N 407.522 1.289 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1359330294 NMRJWEJIJQDRKF-CRAIPNDOSA-N 417.535 1.945 30 10 HDEE C=CCN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 1435069503 PFXQQLNOWRHCAF-LBPRGKRZSA-N 411.423 1.795 30 10 HDEE O=C(CCN1C(=O)CCc2cc(F)ccc21)NCCN/C(O)=C1\N=CC=CC1=O 1443533244 BJWHWWJPQICHMP-FMQUCBEESA-N 400.410 1.138 30 10 HDEE CN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 1447937635 DSKQGSZHHNEASG-UKRRQHHQSA-N 409.229 1.244 30 10 HDEE CCn1nc(C)c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1452027928 IQRKCKBTPXULAX-UHFFFAOYSA-N 418.523 1.522 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1nccc2c(S(N)(=O)=O)cccc12 1452948399 UAYUGEFDCUWYTO-KRWDZBQOSA-N 410.455 1.559 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3c(C)c(C)cc(C)c3C)CC2)C1 1456809659 NQJWBRJRFGDZQP-UHFFFAOYSA-N 404.532 1.527 30 10 HDEE COc1ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc1S(=O)(=O)Cc1cc(C)no1 1459877746 AAYVKXIZJXWASF-LJQANCHMSA-N 420.491 1.539 30 10 HDEE C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H](C)COC 1460407944 KYPAIAVBFCFYLX-MRXNPFEDSA-N 411.524 1.169 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1 1461385150 GINYVYGYEDUAGY-HNNXBMFYSA-N 414.458 1.614 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)c1 1464261747 OXJPQMACAQQSKX-HSLLHTKSSA-N 408.524 1.283 30 10 HDEE CN(C)C1CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1465660426 BCNMJJCAJGYYBW-UHFFFAOYSA-N 409.328 1.842 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC2CCOCC2)C(=O)OC)c1 1471581760 ZWCPWKGTLWBSQA-SFHVURJKSA-N 407.488 1.572 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2nc(C)cc(O)n2)C1 1471857756 ZEBWWHXBCNDHCV-CVEARBPZSA-N 417.510 1.882 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)/C=C\c3ccccc3C#N)CC2=O)C1 1472248383 JPKTZJOAYYJOHM-XZVRFQMRSA-N 410.474 1.908 30 10 HDEE O=C(CNS(=O)(=O)c1cccc(Br)c1)NCC#C[C@@H]1CCCCO1 1472317437 GTPQSNAHSHZPLA-AWEZNQCLSA-N 415.309 1.416 30 10 HDEE C=C(C)CONC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1478908032 BJQIXCFDXDRPLG-INIZCTEOSA-N 410.515 1.995 30 10 HDEE CC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1499550686 HWSZGPFYNDKNQB-OHTQGHCMSA-N 415.498 1.179 30 10 HDEE CCOCCn1c(COCC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1503214442 DOEMIDVTGTXNTO-UHFFFAOYSA-N 402.503 1.091 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1507631515 QFTYWGPGFFDCRU-KRWDZBQOSA-N 419.551 1.089 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@]2(O)CCOC2)CC1 1507718695 GRUIJJRLVLOAAQ-NZQKXSOJSA-N 409.534 1.727 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(C(=O)NCC)CCC2)CC1 1507724470 QOJQKVJHXGBXDW-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCN2CCCCC2)CC1 1507725898 CBHGQUMPDNXQGM-UHFFFAOYSA-N 424.597 1.771 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507849320 XGVHCYVIDRSUOA-FQEVSTJZSA-N 404.515 1.893 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507935695 UAPNCGMUEJNSGT-IXDOHACOSA-N 421.567 1.784 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1cnn(C)c1 1508084929 QSCIFCQDXOTCHS-UHFFFAOYSA-N 419.493 1.189 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1508161023 KHRXHZZCCBSEQD-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O 1509945896 FQOQCHMLMRBNBD-CVTQAYBASA-N 420.477 1.529 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCOC3(CCC3)C2)n1Cc1ccc(C#N)o1 1510232825 NIHAOLTZDXTLOI-ZDUSSCGKSA-N 420.495 1.161 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1)OC 1518732500 USSYNIKZZZIAOR-YESZJQIVSA-N 413.434 1.592 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H](C)N(C)C 1519319224 LPCXVFXGBQYJIX-NUJGCVRESA-N 405.547 1.129 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2COCCO2)CCO1 1521121132 HPZFYIYWGQKCMQ-CVEARBPZSA-N 421.404 1.691 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCC(=O)N2)c1 1527430314 ADUHKSJIHDZRGQ-ODENVGOISA-N 406.508 1.887 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c(C#N)cn1CC 1529323156 UKHLEDPLHIXLQT-LBPRGKRZSA-N 415.450 1.748 30 10 HDEE C#CC1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 1529676212 UNBVEUCSPKDNMP-INIZCTEOSA-N 402.472 1.496 30 10 HDEE N#CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)C(F)(F)F 1535464511 JFAQLBDSCHUGED-ZDUSSCGKSA-N 409.361 1.421 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cn4)cc3)cc2S1(=O)=O 1535589653 YKFHYJRJJWKKGQ-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3nnc(C4CC4)s3)C2=O)cc1 1536298791 PEFGMTCAIJEGLO-AWEZNQCLSA-N 410.459 1.809 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539079640 YBSVHTGZPHBOSG-INIZCTEOSA-N 413.482 1.473 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539216452 SFRVMROMDHCLIV-KRWDZBQOSA-N 410.503 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1539247278 XFWVYUYDHVZGJX-IBGZPJMESA-N 416.485 1.384 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCc1nnc2n1CCCCC2 1539264106 WEMULCNOMHLFFA-SFHVURJKSA-N 407.522 1.806 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@]1(C)CN(C2CC2)C1=O 1539272254 WGTFMNRFDPIWNL-XMMPIXPASA-N 417.513 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cnn(CC(C)C)c1C 1539273110 KXPMNQJKVJOTRR-UHFFFAOYSA-N 407.522 1.683 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(O)CCO[C@@H]1C 1539337122 DUYPHNUWTNRTRB-WKRCXCSHSA-N 402.495 1.005 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1539519379 FKGQLRWQLBQZCH-ROUUACIJSA-N 410.547 1.878 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539819788 IWOYQVVDAMFVAE-RBUKOAKNSA-N 409.918 1.930 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1540004720 DYIMSYHMSIISAG-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1543462454 MITGFCDQIGUQDL-CRAIPNDOSA-N 423.491 1.683 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1544308573 NOJANGHLXAYSLR-AWEZNQCLSA-N 423.491 1.930 30 10 HDEE Cc1c(C(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)cnn1CCC#N 1546033786 GVAVVMBDNOTXNQ-SFHVURJKSA-N 414.897 1.743 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1552662339 CFAMSODPPJPGPI-ZWKOTPCHSA-N 410.478 1.261 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1554891155 AHANJABRBBHNOQ-IIBYNOLFSA-N 412.469 1.792 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CC1 1555736764 BFFGPCSCPIGGLP-KPOHSRMJSA-N 407.540 1.653 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1557159241 NPECMQBATMOGNT-NVXWUHKLSA-N 414.487 1.547 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 1558719194 ZOMQGLHEWQFGOP-UULLZXFKSA-N 405.520 1.407 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)ccc1OCC1CC1 1561149281 PDKCXWFTOQESON-HNNXBMFYSA-N 417.936 1.940 30 10 HDEE C=CCN1CCC(NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 1565628650 YUOVUNVFCSMMNR-HNNXBMFYSA-N 403.545 1.081 30 10 HDEE C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)c2N1 1565629534 BROKMOPWZXKKSJ-CEYARYBBSA-N 412.372 1.447 30 10 HDEE CCCN1C[C@H](CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1=O 1584195937 VCCIWDFSVXGLBL-RDJZCZTQSA-N 411.462 1.138 30 10 HDEE C#CCN1CCN(C(=O)[C@@H](Cc2cccc(OC)c2)NC(=O)OC(C)(C)C)CC1 1586733472 UBVJNLNRNZGCEI-LJQANCHMSA-N 401.507 1.908 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)C)c1 1586778430 WRHRLMXCZXAUNP-UHFFFAOYSA-N 408.520 1.971 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NOc1cccc(C#N)c1 1587209044 YSTWXUIBQJCONI-AQNFWKISSA-N 407.348 1.954 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1587932168 MHCKJZUGKLRPIJ-UHFFFAOYSA-N 411.466 1.087 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1588139128 MFSGPJYVZKXOHY-OXQOHEQNSA-N 404.536 1.194 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@]1(C)CN(C)C1=O 1588166775 PFLAVPYSJNKGPA-QHCPKHFHSA-N 405.502 1.971 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2c(CC)nn(C)c2CC)CC1 1588800219 BDVHPNCJJBPMOX-UHFFFAOYSA-N 406.538 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCCOC)C1 1589528466 GMKOPBRGYIAZAZ-WDSOQIARSA-N 416.526 1.902 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1593741783 XJYFFGMPJTWFSK-DLRJPAPCSA-N 419.526 1.595 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1594615246 FXVKJQRBTQZNAF-MRXNPFEDSA-N 424.571 1.446 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1594720517 ODWUINOWOKDTSW-GOSISDBHSA-N 424.505 1.863 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCC2CC2)C1 1595467415 TVNOQKREILYATC-KRWDZBQOSA-N 416.526 1.212 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(N2CCCC2=O)CC1 1595516750 IFGVNLOEWFWYCS-UHFFFAOYSA-N 408.506 1.839 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](COCC)C1 1595789412 SEEZRGFCSXTQDJ-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C1[C@H]2CCC[C@H]12 1595838665 XHERLDMQLNZVGV-OVWQWFNUSA-N 424.567 1.838 30 10 HDEE Cn1nc(C2CCOCC2)cc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1596163809 YRMIJNVJQQVPOG-UHFFFAOYSA-N 417.491 1.758 30 10 HDEE C[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1612799262 CQHGLCNBBBPHKF-OAHLLOKOSA-N 418.523 1.514 30 10 HDEE Cc1noc(CSc2ccccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1616335721 GWPOUPPBKYJLTL-SCLBCKFNSA-N 418.500 1.681 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](O)CC(F)(F)C2)C1 1616827731 JUTDKCMEELPWCY-ZDUSSCGKSA-N 400.223 1.985 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1617298843 ITNKSPMXRXPSHG-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE COC[C@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619618305 FWNYMYRNPGMCRO-OAHLLOKOSA-N 412.429 1.198 30 10 HDEE COCCN(Cc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1619906530 GZHHKZIEMNOLOZ-KRWDZBQOSA-N 410.434 1.988 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCCS2)CCO1 1620355087 GSXZWIOVRRMBAJ-RRFJBIMHSA-N 411.553 1.195 30 10 HDEE O=C(CN1CC[C@H]2CS(=O)(=O)C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 1620560065 JVWPWCDYHPCUMU-JKSUJKDBSA-N 414.449 1.540 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1622318185 KPHXXJKJKYNUJF-CYBMUJFWSA-N 415.309 1.411 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCOC2=O)CC1 1623682943 XWWWHKMTXFZLQC-CABCVRRESA-N 415.918 1.918 30 10 HDEE C[C@@]1(Br)C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062509 VKUOKIOYDBOXHP-GOEBONIOSA-N 412.309 1.565 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1 1624465706 SQLDFYRTOUKFAR-LSDHHAIUSA-N 416.544 1.361 30 10 HDEE CC(C)(C)c1cc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)n(-c2ccc(C#N)cc2)n1 1624687395 FFIARXRDFKNZPX-HUUCEWRRSA-N 417.491 1.321 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccn4ncc(Br)c34)C[C@H]1CS(=O)(=O)C2 1626656411 XXQDLTOVXYWYKH-BONVTDFDSA-N 409.265 1.107 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)O)n1 1626713706 LLHIPYJWSGYQKC-MRXNPFEDSA-N 408.499 1.156 30 10 HDEE C=CCC[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1627752209 MPOBEBLPCHJWJM-HIFRSBDPSA-N 407.492 1.518 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCOc1ccc2c(c1)CCC2)c1cc[nH]n1 1630750180 FZFPTFWESMQESZ-UHFFFAOYSA-N 400.435 1.377 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@]23COCCN2C(=O)OC3)CC1 1634460855 PXNGDJBCQFESMH-PMTKGXAQSA-N 415.450 1.164 30 10 HDEE COCCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1637300378 AGGSRKRUODEGHQ-CQSZACIVSA-N 415.899 1.409 30 10 HDEE COc1cccc([C@H](CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)OC)c1 1641146319 CQNDTMNQRNDDJV-IBGZPJMESA-N 402.472 1.986 30 10 HDEE C#CC[C@H](NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1)C(=O)OC 1642414911 HKABUXOLPFNTFE-INIZCTEOSA-N 416.478 1.433 30 10 HDEE N#Cc1ccc(NCC(=O)N2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)nc1 1644446676 HQBNOEYWSSPTFE-JOCHJYFZSA-N 405.458 1.395 30 10 HDEE C[C@@H]1CCC[C@@H](NC(=O)CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1644815291 JAVVTAMFZVUIAE-AQNXPRMDSA-N 406.571 1.370 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCNC(=O)CC34CCC4)CC2=O)cc1Cl 1644933889 XMPRQGMCAIOAMX-AWEZNQCLSA-N 400.866 1.836 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nn1nnc2c1CCCC2 1646509257 SURZVLNCPUBBFM-OAHLLOKOSA-N 416.507 1.525 30 10 HDEE O=C1C[C@@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)NC(=O)N1 1648125828 ROHKWUSFLPIUBP-JKUQZMGJSA-N 409.233 1.214 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1652016937 GWILKXYXCXRPOC-XOBRGWDASA-N 414.474 1.976 30 10 HDEE C#CCC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CCC1 1652398864 WWSNZCYMMKSFJO-OAGGEKHMSA-N 410.536 1.719 30 10 HDEE COc1ccc2c(c1)C[C@H](CN1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)O2 1652862369 XCJZCZJYKOOYSQ-LJQANCHMSA-N 413.499 1.877 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(C[C@H](O)COc3ccccc3C#N)CCO2)cc1 1659555072 GJVOTOGORIVGHE-RXVVDRJESA-N 416.499 1.775 30 10 HDEE CCOC(=O)C1=C(CN2CCC3(CC2)CC(=O)C=CO3)NC(=O)N[C@@H]1c1ccco1 1660397561 CHUSRJIPJOOHLS-GOSISDBHSA-N 415.446 1.788 30 10 HDEE C=CCN(CCOC)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1663183116 NBLZEOWPTLMKRN-UHFFFAOYSA-N 411.524 1.936 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@@H](C)N(CCO)C[C@@H]2C)cc1 1665969551 PDWCUKONWIUXLD-CVEARBPZSA-N 410.540 1.412 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@H](C)O1 1668654303 HKYSRVQFTYVYJN-GXSJLCMTSA-N 407.261 1.884 30 10 HDEE C=CCC1(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@@H]54)C[C@H]32)CCOCC1 1683853122 JSTDPIAPBSRPMC-JLPZLSSXSA-N 400.519 1.842 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)n1 1685441543 QIIRXWTZKMLZPA-KRWDZBQOSA-N 410.503 1.647 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543403 KNZVTODDFHQFTM-CABCVRRESA-N 405.499 1.900 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1686939590 LRRSOGOZJOKVMD-GXFFZTMASA-N 415.231 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1689843650 ZOAAMGODUZVJTG-CQSZACIVSA-N 416.503 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1689847758 HLNOYIKRYRXDQD-AWEZNQCLSA-N 414.491 1.607 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1689927714 ABPQGZQLXJDQIC-IBGZPJMESA-N 424.553 1.315 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1689993501 FQBBICQNNPWWKN-APWZRJJASA-N 422.576 1.718 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC 1690068164 ZWTIXUWSSZWPPY-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C2CC(C(C)(C)C)C2)CC1 1690124064 DSMXITKPGUTADX-AOCRQIFASA-N 419.595 1.933 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cc(C)oc2C)CC1 1690285541 CCAWHNMBDSNTTB-KRWDZBQOSA-N 412.494 1.978 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@@H](C)C1 1690299208 JMVVKNUOYCLOCG-SFHVURJKSA-N 420.558 1.264 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1690671548 YOXBYEVVYNBUTN-LLGFUMIMSA-N 419.526 1.596 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1695430550 HAXNOFOZIWDZCU-SFHVURJKSA-N 423.521 1.695 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(=O)NC(C)(C)C)c1 1697522587 CKNPISBUPDQGMT-QGZVFWFLSA-N 412.494 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(=O)N(C)C)cc1 1705579801 TZJARPSDMKIGLG-UHFFFAOYSA-N 416.489 1.893 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CC2(N(C)C)CCOCC2)CC1 1705636986 FOHQJSRQRDOJSG-UHFFFAOYSA-N 408.550 1.811 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCc2ccn(C)n2)CC1 1705642087 GLYJKUZNICTHLD-UHFFFAOYSA-N 419.533 1.897 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705660031 LKOPFJJRTXSWJJ-DLBZAZTESA-N 418.567 1.926 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCC2)CC1 1705728994 HKFQHUZLGVLZOD-UHFFFAOYSA-N 402.543 1.781 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1705806178 YIJXVVNYQSYTHN-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)OC(C)(C)C1 1705830241 LMTDCVZXGJPYIZ-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705943788 KOEAZVRPCGAWIC-HUUCEWRRSA-N 419.555 1.189 30 10 HDEE COC[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712127292 ADWLWEJEJFJGHR-CYBMUJFWSA-N 413.482 1.234 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1722306101 GVAURPUYOORJNL-WBVHZDCISA-N 400.527 1.715 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1722322194 OYBKSWSESZFKBM-QGZVFWFLSA-N 415.542 1.412 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1722389214 FLDLUSZFQIHWSY-ZDUSSCGKSA-N 421.445 1.278 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)c2ccccc2)CC1 1722438698 YJZQPHUPFKKXHV-UHFFFAOYSA-N 424.530 1.502 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722463088 UGYRPGMTTVFNOF-MRXNPFEDSA-N 416.595 1.386 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(O)cc1 1722467910 XOWRGYBYTLDXOF-IFXJQAMLSA-N 403.508 1.634 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722669223 BEIAISGWTWNCAH-MRXNPFEDSA-N 404.540 1.744 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCCO 1729375624 DSKOLENGCSISRT-UHFFFAOYSA-N 414.510 1.567 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(N2CCNC2=O)CC1 1730697368 MJLIZMFYOVJKES-UHFFFAOYSA-N 409.494 1.847 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740794317 WVZSLBYXEREAEC-QGZVFWFLSA-N 423.521 1.776 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1740925940 SXTDVGMKHVGTHN-LPHOPBHVSA-N 410.540 1.543 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nc(C)cs2)CC1 1740966816 XTOQIMGKXOCPSK-OAHLLOKOSA-N 417.539 1.523 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(CO)c2)C1 1740970386 KGEBOCCUJYWTAY-IBGZPJMESA-N 411.506 1.836 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CC2)N(C)C)C1 1740984258 YTZQGANXBZCIQW-MSOLQXFVSA-N 402.543 1.522 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740994048 HWHFLQNHZPDAJB-MRXNPFEDSA-N 423.539 1.252 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1741982706 AAYDYAQCJWNPKY-JLTOFOAXSA-N 401.515 1.664 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1741982707 AAYDYAQCJWNPKY-VBKZILBWSA-N 401.515 1.664 30 10 HDEE CC[C@@H](C)c1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1743587440 JNZZDZBTFFFSOG-QFPXGYFVSA-N 412.498 1.651 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(C)CN(C)C1=O 1748803563 WXWBVQIRKYAPCD-BTYIYWSLSA-N 416.526 1.898 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1748811742 KNPPUZAEISAVOJ-HNNXBMFYSA-N 407.565 1.663 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748817647 NOEGEFNWMSZFTK-OALUTQOASA-N 421.611 1.978 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748825006 VKGFJRMBBUNRFC-QZTJIDSGSA-N 424.567 1.819 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2CC[C@H](CO)O2)CC1 1748992856 IGVRKLRJBLQQHL-LEWJYISDSA-N 409.534 1.472 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NC2CCCCC2)CC1 1748993744 KGHWTTSPLWURMA-UHFFFAOYSA-N 421.549 1.468 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCC2(O)CCOCC2)CC1 1749004484 JWPRCGUJAZTPHQ-KRWDZBQOSA-N 417.554 1.689 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCc1cnccn1 1749116046 ZBCYCUUMWBFISO-WMZOPIPTSA-N 413.526 1.866 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1749229687 OAKUXUPEUZZGNQ-JQHSSLGASA-N 424.567 1.777 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1749459932 WFLWHWUBFXQTHF-UHFFFAOYSA-N 413.526 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)C[C@@H]1CCOC1 1749653133 WOZYCESMWDHFJR-LBPRGKRZSA-N 423.315 1.811 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749659799 JQQPHCQWFOLRFF-ICSRJNTNSA-N 424.549 1.794 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCCN(c2ccccc2)CC1 1749663591 KBSKVJGSXDROEO-UHFFFAOYSA-N 418.505 1.754 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cccs2)nnc1[C@]1(OCC)CCOC1 1749682597 WGVGCLPNGVJNJW-IBGZPJMESA-N 405.524 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749729139 BTXDXRZDSCLPIY-HNNXBMFYSA-N 418.523 1.033 30 10 HDEE Cc1cc(CN(C)c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)no1 1751414650 GBXLIOHMUZQFJV-ZPHPHTNESA-N 422.449 1.732 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760141268 OSZSOCFKGXGIAG-HXUWFJFHSA-N 419.551 1.219 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCC(=C)C)[C@H]1CCS(=O)(=O)C1 1760187139 ICLDMKBISOVPCI-SJORKVTESA-N 408.524 1.001 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](COC)C1 1760306081 AUMHXBYTJIGXJI-KGLIPLIRSA-N 401.305 1.932 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](C(=O)NC)C1 1760335212 MJRIINNQYAHVKY-UAGQMJEPSA-N 400.483 1.206 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1760365547 BIOIWBUDLNOHLF-NSHDSACASA-N 412.903 1.304 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1760517266 HZGJOMQADMCFFF-QGZVFWFLSA-N 424.505 1.457 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1760541366 AVJMGZUIHGSFLS-RCCFBDPRSA-N 416.526 1.269 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C2CC2)C1 1760541710 GPXINBMLJRHYGC-XYJFISCASA-N 423.583 1.444 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1766371668 GREQHJHMYCKAMS-HNNXBMFYSA-N 414.466 1.169 30 10 HDEE COCC(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1769190527 CSUIMOCJSFTSGD-OXQOHEQNSA-N 407.515 1.720 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1769273179 SIGVKGHEPYMORS-MRXNPFEDSA-N 402.430 1.690 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CCC1 1770361251 FZDXILNVRWIRCV-LJAQVGFWSA-N 418.567 1.945 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CCS(=O)(=O)C1 1848757111 OXUXGAIRFQOKEY-MOPGFXCFSA-N 423.531 1.473 30 10 HDEE C=CCc1ccccc1OC[C@@H](CN1CCOCC1)OC(=O)[C@@H]1CC(=O)N(C)C1 1849004251 VPOGKWOPKYJOAW-RTBURBONSA-N 402.491 1.516 30 10 HDEE C=CCN(C(=O)C1CN(c2nc3c(OC)cccc3s2)C1)[C@@H]1CCN(C)C1=O 1849904105 PALOERNDAWOXMI-CQSZACIVSA-N 400.504 1.986 30 10 HDEE CN1CC[C@@H](N2CCN(CCCCCC(=O)NCc3ccc(C#N)cc3)CC2)C1=O 1852047904 CNYXWZOLTJSITC-OAQYLSRUSA-N 411.550 1.583 30 10 HDEE COCCN1CCN(Cc2ccc(C(=O)Nc3nc(OC)nc(C)c3C#N)cc2)CC1 1852795224 UEVXQRMLPGUXQG-UHFFFAOYSA-N 424.505 1.682 30 10 HDEE CN(C(=O)[C@@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ncccc1C#N 1852957536 WFGPSSWHVNKQAS-GFCCVEGCSA-N 405.402 1.025 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cccc(C#N)c2)C1=O 1853839587 RSCLOIPLHXNHFG-QZTJIDSGSA-N 403.504 1.587 30 10 HDEE C=CCC[C@H](C)C(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN4CC[C@H]3C4)ccc21 1853870726 PPQCRLXMGWHWID-RDJZCZTQSA-N 417.531 1.783 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2cccc(OC)c2OC)C1=O 1854167995 XHLCRTWIHVLFEW-IAGOWNOFSA-N 415.490 1.093 30 10 HDEE C=CCN1CCN(C(=O)C2CN(c3nc4cc(OC)ccc4s3)C2)C(=O)[C@H]1C 1854282098 AUAXEZAHAYKIGZ-CYBMUJFWSA-N 400.504 1.986 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCCC#N 1854308986 HVOVUILYBGIMPP-KGLIPLIRSA-N 414.453 1.994 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1855593889 PQYPEKDHUMIGPT-SFHVURJKSA-N 403.504 1.826 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)Cc3cccc(OC)n3)C2=O)CC1=O 1855667252 RTZDYKVQPRBESE-AEFFLSMTSA-N 414.506 1.464 30 10 HDEE N#CCCN1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C12CCCC2 1856630954 BVVXNGWLIKAMFM-UHFFFAOYSA-N 407.467 1.497 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@@H](CN2CCC(CC#N)CC2)CCC1=O 1856941052 JGZKAAJVZCOBFC-MRXNPFEDSA-N 400.479 1.398 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccnc(Cl)c2)C1)[C@H]1CCN(C)C1=O 1857066969 BOALFETZNWGQIJ-ZBFHGGJFSA-N 404.898 1.833 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)C1 1857412463 LSYRNONRMVRQQV-IIBYNOLFSA-N 400.454 1.439 30 10 HDEE C[C@H]1CC(=O)N(C(=O)CC[C@@H]2CCCO2)c2ccccc2N1S(=O)(=O)CC#N 1857461426 SQEHRLYNHORRQA-GJZGRUSLSA-N 405.476 1.957 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1OC 1857969809 RCWQSMBPUWGVSG-UHFFFAOYSA-N 403.464 1.185 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 1861215231 ORKGVGQAMUGFTD-AEFFLSMTSA-N 404.486 1.090 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)Cc2ccc(N3CCOCC3)cc2)cc1 1866906710 WPPRCTVDTHNBMN-HXUWFJFHSA-N 408.458 1.053 30 10 HDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871536088 CWMNGWGBQGGECU-UHFFFAOYSA-N 420.477 1.744 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)cc1 1874431185 MOQDXPMDVKVUHT-SRZZPIQSSA-N 418.523 1.766 30 10 HDEE Cc1cc(N2CCN(C(=O)c3ccc(C)c(C#N)c3)CC2)nc(N2CCOCC2)n1 1889393386 HOUSIMMJIJGQAW-UHFFFAOYSA-N 406.490 1.764 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)c1 1890523010 GBUCHXNBVAYYRL-DOTOQJQBSA-N 420.425 1.715 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)C1 1892208235 DFOHKYDCQHYUIV-CQSZACIVSA-N 412.427 1.687 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2ccc(C#N)cc2Cl)COC1 1962852940 SUXYJGHSZQWSEZ-UHFFFAOYSA-N 401.872 1.784 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)C1 1984836111 QRRAKUUTMARFIW-QFIPXVFZSA-N 415.490 1.702 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985096091 NAOTVJBQJUCHLE-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010402029 LEOHRWKVNCKUHU-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE N#Cc1cncc(C[S@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074701912 JZPIRSFAEIMTMT-JYRCXFKTSA-N 401.444 1.972 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N[C@@H]1CCC[C@H]1N1CCN(C(=O)OC(C)(C)C)CC1 2174783175 YVOUSLLLFMFUOE-BZUAXINKSA-N 400.545 1.539 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2184353890 QGHGMIYIZTUCLX-CABCVRRESA-N 400.545 1.996 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)Nc1nc(Cl)ccc1C#N 2192698681 WYSPPGMVQHSQBN-LLVKDONJSA-N 416.887 1.873 30 10 HDEE Cn1c(Br)nnc1CCNc1ncccc1B1OC(C)(C)C(C)(C)O1 2232267482 CFTFVCANPIBEIM-UHFFFAOYSA-N 408.109 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](OCCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243381962 OLFUPZVHSQTBDG-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE C[C@H](COCc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243382878 VUCKNPCFJHWCIQ-CQSZACIVSA-N 400.288 1.449 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@](C)(NC(=O)C(F)(F)F)C3)co2)OC1(C)C 2247778894 JVEBPLWWFLPVTG-QGZVFWFLSA-N 416.205 1.862 30 10 HDEE CC[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247841406 WKAPNZMAVCHQGF-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC1(C)OCCO1 2255747191 GTOZTIBZOHZZDZ-UHFFFAOYSA-N 417.358 1.787 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258139919 ZQCXARHEOBHBGV-WBVHZDCISA-N 408.476 1.431 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281807739 RYLACGNDAKMEMH-GFCCVEGCSA-N 401.359 1.990 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 2282179418 MQAACZBHLBJULR-OAHLLOKOSA-N 404.316 1.940 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)c1cnn[nH]1 2282312508 XMENEGMSNPDPDN-QMMMGPOBSA-N 418.737 1.858 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282313628 NTGPWUDQZKQHBY-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE CON(C)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282317468 RNRLIXSOGJNKHD-UHFFFAOYSA-N 422.765 1.567 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@](=O)C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320457 IUJKSHGBZPQCBK-YDBLSZJJSA-N 419.399 1.497 30 10 HDEE CN([C@@H]1CCCNCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282331641 QBOPNVPBKHWUDE-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CCSCC[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282416885 CCNFPPREYILWNG-LBPRGKRZSA-N 403.379 1.529 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](O)C(F)(F)F 2282488819 CCOQOHMOXZUMBP-KCJUWKMLSA-N 415.264 1.637 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2CCCCN2)OC1(C)C 2282496696 GDWGGPNSEOWYGH-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE CN(C)C(C)(C)CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500388 XPCDQLOZRHYXES-UHFFFAOYSA-N 402.391 1.807 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CCCC[C@H]2O)OC1(C)C 2282502265 IPTBPTSUKJLWOO-ZIAGYGMSSA-N 401.359 1.770 30 10 HDEE C[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282646756 SGCHZGHJVIAFKV-ONGXEEELSA-N 419.761 1.864 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@](F)(CN)C3)cc2Cl)OC1(C)C 2282842178 UOASLFMBNPACGT-DXPFQBAHSA-N 424.756 1.808 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CC[C@H](F)C2)OC1(C)C 2282846953 RDFMXRAKLPHHRI-RYUDHWBXSA-N 404.338 2.000 30 10 HDEE CC(C)N1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282855713 IQNXQJGPYPCHCJ-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869582 FDZDKVLJCBDUNZ-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE C[C@@H]1C[C@@H](CN)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882002 GBMVEHGLYKSDAD-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC(C(=O)O)C3)cc2Cl)OC1(C)C 2284413910 CEWFTNMGIOUJIB-UHFFFAOYSA-N 421.733 1.842 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@@H](C(=O)O)C3)sc2Cl)OC1(C)C 2284436999 KYFXWOAPUVJLLM-SNVBAGLBSA-N 401.677 1.626 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c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c2ccc(I)cc2)CC1 2367820591 WBFORRSVQFVAJV-OLZOCXBDSA-N 405.257 1.233 30 10 HDEE C[C@H](N)C(=O)N1CC[C@@H](C(=O)OC(C)(C)C)[C@@]1(C#N)C(=O)OCc1ccccc1 6020061 SHFUZTLXAWLVAB-HTZUNMPGSA-N 401.463 1.530 30 10 HDEE CC(=O)N[C@@H](CO)/C(=N/NC(=S)Nc1ccccc1)c1ccc([N+](=O)[O-])cc1 19893718 SPFNKTXDCNWMQO-HGSNWSKYSA-N 401.448 1.783 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)CCOc2ccc(Cl)cc2)CC1 23265470 LYABJTYLRNHIPA-UHFFFAOYSA-N 408.930 1.097 30 10 HDEE NC1=C(c2nc3ccccc3s2)C(=O)CN1CCc1ccc(S(N)(=O)=O)cc1 35479240 DRYZSXQSEJECJQ-UHFFFAOYSA-N 414.512 1.698 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)CN2CCN(c3ccccc3F)C2=O)C1 238815151 BGTQBUKKUCMFEZ-OAHLLOKOSA-N 424.436 1.799 30 10 HDEE CC(C)N1CC[C@H](NS(=O)(=O)N2CCO[C@H](C#N)C2)[C@@H]1c1ccc(F)c(F)c1 409493734 XEFXYGJGEVCZIV-JLSDUUJJSA-N 414.478 1.547 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 410066716 DIKUMMRPZVJAQI-SJLPKXTDSA-N 406.479 1.769 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(CC(N)=O)CC3)cc1Cl 432947517 FUKLJEVNIGNXTR-UHFFFAOYSA-N 404.879 1.856 30 10 HDEE CCOC(=O)CNC(=O)C1CCN(C(=O)[C@H](Oc2ccccc2C#N)C(C)C)CC1 435397972 AUULLPZHADUGNW-HXUWFJFHSA-N 415.490 1.880 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1cccc(Cl)c1C#N 438951571 VQLIKJXVQZEGCU-GBOPCIDUSA-N 412.851 1.325 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)n(C)n1 446941484 KWVIBALNCSEOEK-SJORKVTESA-N 423.525 1.279 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H](CO)c2ccsc2)CC1 473173351 UJWSUUDUEFQKME-RTBURBONSA-N 402.495 1.919 30 10 HDEE COCc1noc(CN2CCN(C(=O)[C@H](Oc3ccccc3C#N)C(C)C)CC2)n1 474281933 XLNLZDWMYUVITJ-HXUWFJFHSA-N 413.478 1.835 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1Oc1ccccc1C#N 480594630 JHUGPTSRXGJYTL-QGZVFWFLSA-N 406.442 1.817 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c(F)c1 481065623 ZUBIQSAOMXDTEH-FQEVSTJZSA-N 403.479 1.754 30 10 HDEE C=CCN1CC[C@H](N2CCN([C@@H]3CCN(CC=C)C3=O)C3(CCCCC3)C2)C1=O 499551634 GPORRLYPOJEHQQ-VQTJNVASSA-N 400.567 1.881 30 10 HDEE CNC(=O)c1cccc(OCC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 504192876 BHJKFQDJOWETAG-IBGZPJMESA-N 406.442 1.608 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1-c1ccccc1C 505661399 KXYUORSSTHHBDQ-UHFFFAOYSA-N 419.510 1.055 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 507475180 AGSHSLZWUPFISA-CQSZACIVSA-N 408.499 1.451 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CN1CCN(c3ncccc3C#N)CC1)CC2 514749017 GCWXZCTUGMXOOT-UHFFFAOYSA-N 421.501 1.677 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCC[C@H]3CCS(C)(=O)=O)CC2)o1 514879834 BLDUYMNQBSLGGY-INIZCTEOSA-N 408.524 1.887 30 10 HDEE Cc1nsc(N2CCN(CC(=O)NCCN3CCc4ccccc43)CC2)c1C#N 516998841 CYKUKIYKBSPOMH-UHFFFAOYSA-N 410.547 1.624 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)O1 526975594 XVQGLJLQLLSNSL-OALUTQOASA-N 400.479 1.747 30 10 HDEE Cc1nn2cc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)cnc2c1Cl 544843001 SOLIRLJTYNLICC-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(C#N)CCCCC2)CC3)CC1 550095389 XTPKAHZXWAGXKR-KRWDZBQOSA-N 412.538 1.423 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2cccs2)cc1 558162843 FSAMPIUMDPTNBO-AWEZNQCLSA-N 400.485 1.890 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1CSC 571007407 KHDYBDWNEVAEIB-KGLIPLIRSA-N 401.558 1.129 30 10 HDEE C#CCN(C1CCN(C(=O)OCC)CC1)S(=O)(=O)c1cc(OC)ccc1OC 586140825 GELRWJWKHGAKCU-UHFFFAOYSA-N 410.492 1.949 30 10 HDEE Cn1cc(S(=O)(=O)NCc2ccc(C#N)cc2F)cc1C(=O)NCC(F)(F)F 611415479 KWUXEYKXINNDRH-UHFFFAOYSA-N 418.372 1.806 30 10 HDEE C#CCN(C(=O)c1ccc2c(c1)C(=O)N(CCCC)C2=O)[C@H]1CCS(=O)(=O)C1 729330946 ISDAVIFTKXTCAG-HNNXBMFYSA-N 402.472 1.345 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)c1 731732620 XJXUCQUZDJVGAQ-UHFFFAOYSA-N 409.508 1.811 30 10 HDEE COCCOc1ccc(-n2nc(C)c(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)n2)cc1 735012751 GQFILGXSPQCNEO-GOSISDBHSA-N 410.478 1.413 30 10 HDEE COC(=O)[C@@H](OC(=O)CNS(=O)(=O)/C=C\c1ccccc1)c1ccc(C#N)cc1 740202635 CBXFDGKBTSVGJE-JZHDPFOFSA-N 414.439 1.906 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1csc(N2CCCC2)n1 745813255 KDHLOBTVQKASCM-NXVVXOECSA-N 404.496 1.111 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)cc1C#N 747494651 BYLCQCOYNXLLDA-UHFFFAOYSA-N 404.430 1.656 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@]34CCO[C@@H](C)C4)CC2)o1 759673431 SNOIQUQEENTTRQ-ZQGRQUNCSA-N 402.451 1.252 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@@]4(CCc5ccccc5C4)C3=O)CC2)n1 760549712 DMIBGSNVQOBTST-HSZRJFAPSA-N 416.485 1.512 30 10 HDEE N#C[C@H](C(=O)CN1CCOC[C@H]1C[C@H](O)c1ccco1)c1nc(O)c2ccccc2n1 763668257 YLLLXPSGXQDDDN-KYJSFNMBSA-N 422.441 1.929 30 10 HDEE C[C@H](CC(=O)Nc1cc(-c2nccn2C)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 772483864 MBDAGKYNABVIJP-LLVKDONJSA-N 413.463 1.266 30 10 HDEE C#C[C@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCCO1 775343160 XYXIRXSLOUIYNJ-GJZGRUSLSA-N 405.248 1.732 30 10 HDEE C[C@@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 780203253 BBPPSICQXSYHSB-KDOFPFPSSA-N 411.414 1.101 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(Br)c(C(=O)OC)c1 783088749 ZMKXCIWVWRVBPG-UHFFFAOYSA-N 405.270 1.958 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(C3CCCCC3)C2=O)n1 789223868 VOCVUTFBSGXFOK-HXUWFJFHSA-N 415.538 1.998 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3n[nH]c(CC)n3)CC2)cc1 791213684 SCQMJFPDQHHZSU-UHFFFAOYSA-N 401.492 1.298 30 10 HDEE C#CCN(C(=O)Cc1ccc(NC(=O)OC(C)(C)C)cn1)[C@@H]1CCS(=O)(=O)C1 791580141 WFCHDCTXOCQJSB-MRXNPFEDSA-N 407.492 1.620 30 10 HDEE COc1nccnc1C=NNc1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cn1 792928255 NKCWHNABVQNPOH-ZIAGYGMSSA-N 404.496 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1CC(=O)NS(=O)(=O)Cc1ccccc1C#N 796722682 IHIIKSKIMPVJFQ-INIZCTEOSA-N 423.491 1.530 30 10 HDEE Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N 799548053 DWIBJYXPBOMVEU-KGLIPLIRSA-N 415.471 1.937 30 10 HDEE Cn1ncc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccc(F)cc2)n1 807931932 LSTKFUHNOSSVCE-OAHLLOKOSA-N 402.455 1.755 30 10 HDEE C[C@H](C#N)OCCOC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 811362793 GOSDVHZETDQZDG-GBOOOXQASA-N 420.465 1.938 30 10 HDEE Cc1cc(C#N)cnc1C(=O)OCC(=O)N1CCC(NC(=O)c2ccccc2)CC1 815338821 PFIWNQVBLFNALE-UHFFFAOYSA-N 406.442 1.840 30 10 HDEE Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)ccc1F 820175378 XTFSHDDLNMLZGR-MRXNPFEDSA-N 407.423 1.655 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 918754799 HEGAGBCBFHBGSI-GWQNQTGSSA-N 414.527 1.587 30 10 HDEE C=CCN(C(=O)[C@@H]1[C@H]2CC[C@]3(COC(=O)[C@H]13)O2)[C@@H](Cc1ccccc1)C(=O)OCC 1128112434 TWIPABQEPZEAJC-FWXJUILDSA-N 413.470 1.896 30 10 HDEE C#Cc1ccccc1CC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1128638466 NAGRVUBYWMDLHR-UHFFFAOYSA-N 402.472 1.782 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)CC2=O)cc1Cl 1129497889 DDMWWTNMYSXCPQ-JKIFEVAISA-N 400.866 1.834 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)[C@@H]3COCC34OCCO4)cc2C1=O 1129750852 AJEFKDINHPROHH-KRWDZBQOSA-N 414.458 1.614 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(-c3ccc(F)cc3F)c2C)C1=O 1130338536 DSURZFGRBWYYCL-UHFFFAOYSA-N 403.345 1.374 30 10 HDEE CN1C(=O)[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)Cc2ccccc21 1131032537 FIPAVQYOZJNVMO-KRWDZBQOSA-N 412.471 1.196 30 10 HDEE CC(C)C[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)N1Cc2ccccc2C1=O 1136672792 ZCKBIAKAAHSFMF-RWNPKEDZSA-N 410.474 1.700 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)CCCn3cnc4c(N)ncnc43)cc2C1=O 1142509866 NGLRQVUZPIHBAI-UHFFFAOYSA-N 419.445 1.353 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCCc1ncnn1C 1143390260 NEAGZYXVNZHITI-UHFFFAOYSA-N 422.283 1.976 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCCS(=O)(=O)CC2)C1 1144730844 ZMRGSSGKFNNMNW-UHFFFAOYSA-N 412.309 1.404 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)c(=O)nc1O 1148392757 HIBIWMXPSJPQQC-AEGPPILISA-N 415.247 1.285 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@H](C#N)C(C)(C)C)CS(=O)(=O)[C@H]2C1 1157017713 UGKZVFHJHPZARA-KBXIAJHMSA-N 413.540 1.711 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)cc1Br 1158515967 HMBMLVKDIIDIJI-SJORKVTESA-N 408.296 1.757 30 10 HDEE C#C[C@H]1COCCN1C(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1161392766 FQWHUBHJCIKQAT-INIZCTEOSA-N 422.503 1.157 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(Nc3nnccc3C#N)CC2)cc1OC 1162575490 AHCKLZAJQHGBJK-UHFFFAOYSA-N 403.464 1.631 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1163176735 CDYAQAJYIYCCHT-ZFWWWQNUSA-N 409.508 1.599 30 10 HDEE CN1C[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)N(C(=O)OC(C)(C)C)CC1=O 1168653903 VUMZKAWNVQNUKP-KRWDZBQOSA-N 413.478 1.259 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCC12COCCN1CCOC2 1168939922 VNJCMFHMVYXYQC-MRXNPFEDSA-N 410.515 1.181 30 10 HDEE CCOC(=O)c1c(NC(=O)NCCC(=O)NC(C)(C)C)c(C#N)cn1CCOC 1203097024 FFGRLVQUTCAURY-UHFFFAOYSA-N 407.471 1.609 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)C1 1248676708 QACXWARTGAMKDO-KRWDZBQOSA-N 408.506 1.260 30 10 HDEE N#C[C@]1(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)CCCOC1 1264707943 HUZQKRKBQUOWOD-OAQYLSRUSA-N 400.479 1.284 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC(F)F 1286369684 AIMVXAQKEOLSEN-UHFFFAOYSA-N 412.466 1.937 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCSCC(F)(F)F 1286465222 KCUXNSHOEDLWKT-LBPRGKRZSA-N 405.446 1.611 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1C[C@@H](C)O[C@H](C)C1 1286469353 SOXONIXEKYQSET-IAGOWNOFSA-N 403.527 1.690 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2ccnc(C)n2)CC1 1286509824 DHNDJWCQGOWBCR-UHFFFAOYSA-N 401.540 1.606 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC(C)C)N(C)C 1286517989 XRPZZQWVXIFSTB-SQGPQFPESA-N 424.615 1.857 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1286634682 ALNJAJCCWWORNG-KSSFIOAISA-N 424.889 1.952 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1286790047 BJUILQQSKZWSJJ-AWEZNQCLSA-N 403.487 1.438 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1286808045 UFPIKHUPZLRPIH-SJORKVTESA-N 411.572 1.682 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCCS(=O)(=O)C[C@H]3C3CC3)C2)c(F)c1 1289397794 LEUHHKSLBLUOQI-APWZRJJASA-N 405.495 1.949 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC(=O)N1C 1291223940 PBTKKLVSJQAIJH-BTYIYWSLSA-N 410.478 1.289 30 10 HDEE CCN(CC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1295687375 LSDUWVHUISOXRY-ZPHPHTNESA-N 408.466 1.498 30 10 HDEE CN(C)C(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1297988296 ABGUXZLDNLYVGV-KRWDZBQOSA-N 413.551 1.585 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCO[C@H](C)C1 1300308262 OBZCCFCEDOPIQE-KSZLIROESA-N 423.583 1.139 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1300430729 PSDPKAAPIFXKOY-HOTGVXAUSA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCCC1=O 1300430939 BQLPRDFSMZYSER-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1300458890 NKNDQTFEZRTZPW-BBWFWOEESA-N 423.583 1.137 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCC(=O)N1CCOCC1 1300466089 UGEKBMBJKZLSOK-GOSISDBHSA-N 411.462 1.109 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[C@@H]1COCCO1 1300532570 XRELXVIJKHCEBU-MRXNPFEDSA-N 418.457 1.472 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N1CCC[C@@H](C)C1 1300537367 FXASPVOJQQMHPK-GUDVDZBRSA-N 417.579 1.373 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2CCC(=O)N2)CC1 1300682819 KBRQIVXBHAFOFD-WOJBJXKFSA-N 406.534 1.854 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2cccs2)N(C)C)CC1 1300699529 DXTXXPONVPMSDB-ZWKOTPCHSA-N 414.579 1.902 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1301041498 LWYNLQUCHDEJRV-DLBZAZTESA-N 422.961 1.667 30 10 HDEE C=CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCOCC1)C1CC1 1301334548 PBTCXSBIXRBNCH-LPHOPBHVSA-N 419.526 1.406 30 10 HDEE N#Cc1cc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)cnc1C(F)(F)F 1301392541 IYMCYSKRNULPHK-UHFFFAOYSA-N 402.329 1.689 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC(=O)N(C)C)C1 1301543615 NOAKPBATLXGVTP-CYBMUJFWSA-N 423.315 1.905 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCN(C)C1 1302268070 WWWWJIUQBIFPHQ-BBTUJRGHSA-N 418.542 1.199 30 10 HDEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1303248453 YBQUCZSALCNGGM-BBRMVZONSA-N 418.564 1.719 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H](NC(C)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1308074448 BZIREYFRSOHUKA-GOSISDBHSA-N 420.554 1.448 30 10 HDEE C=CC[C@H]1CCN1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1310454909 AAVILMZZMUAVAA-HNNXBMFYSA-N 408.524 1.956 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Nc3ccc([S@@](C)(=N)=O)cc3)CC2)c1C#N 1310890336 GXJPOIPYILVPPI-NDEPHWFRSA-N 401.496 1.990 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3[C@H]4CC[C@H]3CC(O)C4)CC2)cc1 1328831353 ZFNJGLXOSWRSMM-IRXDYDNUSA-N 403.504 1.473 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 1358965038 MTEYCEWDNTVMJX-ROUUACIJSA-N 415.519 1.070 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1358968812 AAMHWSVTKRSAGE-SJLPKXTDSA-N 415.519 1.349 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](OC)C1CC1 1358972177 WUGXSEJNSDFGIR-IBGZPJMESA-N 412.515 1.846 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@]1(N(C)C)CCSC1 1359023051 XBSURVYEQGKNGN-LJQANCHMSA-N 401.540 1.258 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C)nc2)CC1 1359040296 OLVQIIDDJBIJQX-UHFFFAOYSA-N 423.521 1.134 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCO[C@H]1C 1359106691 NOGLWXNWMGIPEQ-YWZLYKJASA-N 400.483 1.868 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359125973 ASAWIZFPUWQSQU-QGZVFWFLSA-N 404.559 1.783 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOCC1 1359189436 KZMMFUGMANSCCY-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359207831 YSPLGCWPFYKRLX-CVEARBPZSA-N 409.494 1.854 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOCC2(C)C)C1 1359321867 MWISNQQFWUSQQX-ZWKOTPCHSA-N 405.543 1.674 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1359337081 JHIIVFDHZOCPSJ-GFCCVEGCSA-N 412.541 1.358 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359342228 SATQUSQMPCBJRY-UHFFFAOYSA-N 404.540 1.985 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3cc(C#N)ccc3F)cn2)CC1 1435086841 GMEISILVGLHRDK-UHFFFAOYSA-N 403.439 1.426 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccn(CC(=O)OCC)n2)ccc1F 1437180223 WBVFTLZHMRNROD-UHFFFAOYSA-N 410.427 1.302 30 10 HDEE C#Cc1ccc(NC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1 1439971304 MKEZUVSQLVTMTP-UHFFFAOYSA-N 414.483 1.879 30 10 HDEE Cc1ccc(N(CCC(=O)N[C@H]2CCN(O)C2=O)S(=O)(=O)c2ccccc2)cc1 1450167213 PISCSLASYWHQKV-SFHVURJKSA-N 417.487 1.687 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(N)(=O)=O)CC1 1454229142 USMHVMFCRHGYMA-AWEZNQCLSA-N 404.533 1.020 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1454932670 BLBCTVRDHKFOFH-CHWWFWEZSA-N 404.467 1.689 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1456055685 AHFGAVAWMNVQIK-FDDCHVKYSA-N 419.485 1.763 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC[C@H](c3nc(CC)no3)C2)cc1 1456719417 FKTLWOLFWUVKKV-LSDHHAIUSA-N 402.476 1.610 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)c1Br 1458291485 OKRVMHXHSCRBPQ-BLLLJJGKSA-N 413.293 1.787 30 10 HDEE CN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)c1cccc(C#N)c1 1460356387 PJCIIFWTBHCRRW-IBGZPJMESA-N 416.522 1.993 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CCOC)c2cc(Cl)cc(Cl)c2)C1=O 1462005816 TYSXRQRDKSWDNB-UHFFFAOYSA-N 414.245 1.950 30 10 HDEE C=C(C)C[C@@H](NC(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C(=O)OC 1462160238 AWBISKNHYODFRW-GOSISDBHSA-N 423.535 1.071 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1463728928 TUWPGMVYNVKPOS-YPMHNXCESA-N 401.282 1.956 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnc3scc(-c4ccccc4)n3c2=O)CC1 1465872747 WXKGXMXWRDMSDL-UHFFFAOYSA-N 407.455 1.621 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)cc1F 1467381961 AAJFGQXWZPDQBN-QGZVFWFLSA-N 418.375 1.195 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCC#CCO 1467503797 LRVKWGCQCGSPSU-UHFFFAOYSA-N 403.416 1.430 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1 1468665333 ALZLGWCNTWCJRP-UHFFFAOYSA-N 401.511 1.396 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC)[C@@H]2CCN(CC(F)(F)F)C2)cc1 1470590307 YKWUYXJVDWYOEQ-OAHLLOKOSA-N 417.453 1.697 30 10 HDEE COc1ccc(CNC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1C#N 1471191473 KPMNPDDADAMSAO-UHFFFAOYSA-N 423.473 1.141 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CCCN(CCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1472191942 NPWCFJVOBVILKL-IRFCIJBXSA-N 401.532 1.338 30 10 HDEE COc1cccc(CC(=O)N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)c1 1473128988 SNWVAAHZUOAXSA-LJQANCHMSA-N 401.507 1.453 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1475528236 MOMUGGUOOFFJDZ-UHFFFAOYSA-N 414.549 1.522 30 10 HDEE C#CCN(C)CCCNC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1477409032 IFSJOBDLNPMUBJ-UHFFFAOYSA-N 406.552 1.402 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CCN1CCCS1(=O)=O 1492947429 FDMUBPRBXLPSQI-GOSISDBHSA-N 416.507 1.072 30 10 HDEE Cc1nnc(Nc2cnn([C@@H]3CC3(F)F)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1492974566 FXFWPFDCEUFLMW-LTOKCNDWSA-N 404.381 1.633 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC(C)(C)C1 1503256769 CSHZDQAOVKWZJV-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CON(C)c1nnc(COc2ccc(C)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1505099614 ZWMNFVVCUNLQII-HNENSFHCSA-N 412.450 1.690 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)CCO1 1505323953 ZKRLVINILABWAW-CYBMUJFWSA-N 400.393 1.168 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1507585482 KFQWLVVGTPBLBO-KRWDZBQOSA-N 407.522 1.543 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1507689630 KNDSUCDEVIWHPI-HNNXBMFYSA-N 404.515 1.946 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2nncn2CC)CC1 1507724658 UOIYNFZRXUVOFS-UHFFFAOYSA-N 408.485 1.423 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC=C 1507773721 LJHXLKNTGOHXLF-JOCHJYFZSA-N 403.490 1.811 30 10 HDEE C=C(C)COCCn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1507837116 IWFHDTFHVCAHQV-OAHLLOKOSA-N 404.515 1.905 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1507864446 BGONVGNIELFAGU-MRXNPFEDSA-N 424.933 1.499 30 10 HDEE C=C(Cl)Cn1c(N2CCN(c3cccnn3)CC2)nnc1[C@@]1(OCC)CCOC1 1507875116 NMJOTRREWONKJH-LJQANCHMSA-N 419.917 1.799 30 10 HDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1)c1ccccc1 1507924580 PKCFNHXLDSKFCT-QZTJIDSGSA-N 408.506 1.868 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1507967643 IUZCZZSAERLNFB-UGSOOPFHSA-N 411.503 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](c2ccccc2C)C1 1508087776 PXHVKWGSDLQJQE-AEFFLSMTSA-N 408.506 1.834 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1508093792 KDGZMSLCPDEXCE-AWEZNQCLSA-N 416.457 1.000 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)NC(C)C)C1 1508118804 SLBQTZIYMBWLKC-HNNXBMFYSA-N 408.528 1.382 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1513975060 QVXMTFRRAJMZBQ-HRAATJIYSA-N 407.478 1.010 30 10 HDEE N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1528669638 HLGOJUXNPLLTBH-INIZCTEOSA-N 417.874 1.658 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOC1CCOCC1 1539013200 IERXORADAYHUIG-CVEARBPZSA-N 410.540 1.224 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1539128263 XNHBWKUTNZXWJU-UHFFFAOYSA-N 422.533 1.753 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1539132370 JRQMUEKOAKMHTJ-UHFFFAOYSA-N 400.527 1.115 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1539221475 OOPRDWXMUXWMOP-MSOLQXFVSA-N 420.535 1.146 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1539232044 YUHQBJIPRMDQTO-KRWDZBQOSA-N 420.510 1.823 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1539264023 VHCIQRMRHHOHCE-VGVBMJIYSA-N 408.462 1.119 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1539343326 JODXEKPUEYETJE-VIFPVBQESA-N 414.276 1.336 30 10 HDEE C=C(Br)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1539600770 VGMGYLJPMJSZKS-LBPRGKRZSA-N 407.334 1.562 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539619479 GETZNDCXYXLVKG-QFBILLFUSA-N 417.514 1.419 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@](C)(C(=O)NC)C1 1539629515 AFWJYKVFHCCQMO-VWXURSGXSA-N 403.527 1.726 30 10 HDEE C=C(C)Cn1c(N(C)CCS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1539733938 VAGGYGULWCPPDF-SFHVURJKSA-N 400.545 1.766 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(C3CC3)C2)CC1 1539874724 OSSPTEOBTMUBDO-WBVHZDCISA-N 422.599 1.775 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)C1 1540020147 HAWMJUXWTBUXAB-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(O)(c2ccccc2)CC1 1540868835 TURAWVKSBLDFME-UHFFFAOYSA-N 419.489 1.525 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1540904555 NTSQRJDGBUMQKS-IRXDYDNUSA-N 401.536 1.957 30 10 HDEE Cc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1543239258 UJKBJOGWSVOXGO-SFHVURJKSA-N 423.477 1.494 30 10 HDEE Cc1nccn1-c1ncccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1543487115 GWYXCYGMOQAITC-UHFFFAOYSA-N 413.434 1.942 30 10 HDEE N#Cc1ccc(C2(NC(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)CCOCC2)cc1 1544235909 QFZOWLCEFJLGGJ-HXUWFJFHSA-N 417.469 1.800 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CC(F)(F)F 1555556734 HDOXRIHJWOAPQG-UHFFFAOYSA-N 400.361 1.935 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H](CO)CN3CCCC3)C2)C1 1556855392 ZXOSYNLZTMAVPH-NHUHVJRWSA-N 406.527 1.346 30 10 HDEE COC(=O)Cc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1F 1557073500 QVJRBNZNPBASEH-UHFFFAOYSA-N 419.434 1.985 30 10 HDEE COc1cc(C)c([S@@](C)=O)cc1OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1557110189 KBTVGACRWJYTLJ-HHHXNRCGSA-N 422.484 1.497 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCC[C@](C#N)(c4ccccn4)C3)c2C1 1557913855 BNLYUEOFWCLFEA-HTAPYJJXSA-N 406.490 1.674 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(-c2nc(C)co2)ccc1C 1561149054 GPHPQDFRMZSUEC-MRXNPFEDSA-N 408.501 1.769 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@H]2CCC3(CCOCC3)CO2)n1 1565286290 UHWFBFUPDIVXRL-LJQANCHMSA-N 404.511 1.650 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(C)C)CC1 1565595955 HIEUSEXBDBOQRN-KRWDZBQOSA-N 410.559 1.905 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCN2C(=O)c3ccccc3C2=O)c1 1567193857 DFJJVFFJXOVXHR-UHFFFAOYSA-N 424.478 1.852 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC2CCOCC2)CC1 1587758606 DGOOOKMIGKOSII-LJQANCHMSA-N 414.554 1.581 30 10 HDEE C#CCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCS(=O)(=O)CC1 1587818085 QHMMJQDEUNJEOZ-UHFFFAOYSA-N 412.313 1.684 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588045028 FQJSJVBRSFJAJO-QGZVFWFLSA-N 417.535 1.782 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1588045979 VDEUZFHBZQFHRJ-GOEBONIOSA-N 405.549 1.718 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1588049321 FBXOPTDRVMKBEM-AEFFLSMTSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)s1 1588084278 PBYIQWVPVAWCQO-GFCCVEGCSA-N 411.940 1.724 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)C(=O)OC(C)(C)C 1588128947 VRQOXMYXLXUROJ-MRXNPFEDSA-N 414.510 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCC[C@@H]1NC(=O)NC1=O 1588210221 DWFIVSXRHPRIME-SFHVURJKSA-N 404.474 1.705 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCOc1ccc2c(c1)OCO2 1588628286 GLDSXRSRIXIBOE-UHFFFAOYSA-N 422.445 1.629 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCNC(C)=O 1588647568 XFYGWQNSVOOBKW-LJQANCHMSA-N 413.478 1.403 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588891514 PMNAAYSMTPZMNI-QRQLOZEOSA-N 417.554 1.809 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCN(C(=O)OC)CC2)CC1 1594091291 XJUMBUYSKUUYOU-MRXNPFEDSA-N 402.499 1.864 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1595523539 XTAFOTYYYHUCEB-QFIPXVFZSA-N 422.464 1.879 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@H](COC)C2)nnc1[C@]1(OCC)CCOC1 1595602612 OMSZSBUNPUHBEB-UWJYYQICSA-N 421.542 1.485 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCC[C@@H](n3cnc(C(N)=O)n3)C2)cc1 1595608133 PKAXXOLMVJOFRI-QGZVFWFLSA-N 422.493 1.732 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H](O)c2nccn2C)CC1 1596940857 BLFUYKOOERKJIE-DLBZAZTESA-N 404.511 1.999 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@]2(C#N)CC23CCCC3)c1 1616329898 AWYLKXHJBDVILE-ORAYPTAESA-N 404.492 1.512 30 10 HDEE C[S@](=O)C1(C(=O)Nc2ccn(CCC#N)n2)CCN(C(=O)OC(C)(C)C)CC1 1618199139 HCWUPGVTDVFPSO-NDEPHWFRSA-N 409.512 1.883 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1618360581 ZBOWYJIKXQOINN-LJQANCHMSA-N 422.493 1.606 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c1=O 1624912680 LUAFRNKHQBYVTN-UHFFFAOYSA-N 423.473 1.419 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H](C)O1 1629341719 HEYBYNJPYIFDBM-KFNAQCHYSA-N 405.838 1.353 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)cc1B1OC(C)(C)C(C)(C)O1 1629655816 ZXTBHQYCSLSFHQ-GOSISDBHSA-N 424.310 1.563 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)C1 1630246376 CQMFPGACIWRPJH-CABCVRRESA-N 405.296 1.917 30 10 HDEE COC(=O)[C@@H](O)C1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1632297768 JGCCTQYHBRCHCD-SFHVURJKSA-N 417.311 1.680 30 10 HDEE CN(C)C(=O)NCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1632580402 NCEDPMGWGUWSDB-KRWDZBQOSA-N 415.494 1.780 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[C@H]1F 1633364424 LXVVEZLXVRJWNP-HZPDHXFCSA-N 404.442 1.752 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1([C@H]2CCCCO2)CCC1 1634325105 UAIUXOWXFCJRKI-QGZVFWFLSA-N 405.520 1.971 30 10 HDEE C=CCC[C@H](NC(=O)[C@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC 1635699279 SPUCPCHDXAZSCJ-FXAWDEMLSA-N 424.519 1.456 30 10 HDEE C#CCN(CC(=O)N1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1)C(=O)OC(C)(C)C 1636105146 ZCLBKMODTSFYAS-IAGOWNOFSA-N 423.510 1.753 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(C)CCC2(CC1)OCCO2)c1cc[nH]n1 1636622209 PECMYFGCUOUNPL-UHFFFAOYSA-N 408.455 1.133 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC3(CC2)COCCO3)s1 1636649871 IWWZLBVELBZLPF-UHFFFAOYSA-N 400.522 1.163 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@H](C(=O)OC)c3ccccc32)c1 1636938977 SVQRJMOULRHXFW-MOPGFXCFSA-N 412.467 1.730 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)CCC2)cc1 1639189696 LQHVXRNFQCMRDY-NVXWUHKLSA-N 401.488 1.089 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NCC(=O)NC(C)(C)C 1640787910 YLWYYVYPUMBYCP-UHFFFAOYSA-N 422.599 1.616 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NCCN1CCC2(C1)OCCO2 1640987352 CZOAPYBMTSGZEB-MRXNPFEDSA-N 410.515 1.529 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C(=O)NCCn3cc(C#N)c(O)nc3=O)CCC[C@H]12 1641970532 MKLYDMMZOHIJKU-VBKZILBWSA-N 417.466 1.116 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)c1 1642022781 GRRAAGZUSCEXML-OCCSQVGLSA-N 404.410 1.780 30 10 HDEE C#CC[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1642849481 ZWPQENJZWAKVPK-INIZCTEOSA-N 406.508 1.771 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OCC)c2ccncc2)c1 1642952141 LGZQFKIOOMNNOL-SFHVURJKSA-N 415.471 1.417 30 10 HDEE C[C@H](C(=O)Nc1ccccc1S(C)(=O)=O)N(C)C[C@H](O)c1cccc(C#N)c1 1643725449 BEJZUMYDRDOXEO-KDOFPFPSSA-N 401.488 1.954 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@H]3Nc4ccccc4S(=O)(=O)N3)CC2)OC1(C)C 1643827443 LQTZGUQABITHFM-INIZCTEOSA-N 421.328 1.801 30 10 HDEE N#CC1(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1644335285 NCGIVZBMBIETQY-ZBFHGGJFSA-N 411.911 1.664 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)Cc1ccc(Br)cc1C#N 1645906159 DRLSYVCUONJHBV-UHFFFAOYSA-N 408.174 1.932 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccccc1Cl 1650972436 QERFJZJCMODQHS-CJNGLKHVSA-N 416.927 1.316 30 10 HDEE Cn1c(N2CCN(C(=O)OC(C)(C)C)CCC23CCC3)c(C#N)c(=O)n(C)c1=O 1652174554 WLDXJZKWRFQJOR-UHFFFAOYSA-N 403.483 1.326 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1655527731 PZAUUNVOKATTBN-CYBMUJFWSA-N 410.565 1.698 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCn4nc(C(F)(F)F)cc4C3)CC2)o1 1656351159 JMFVLXYMJKHGFP-UHFFFAOYSA-N 423.399 1.234 30 10 HDEE C[C@@H](NC(=O)CNC(=O)CN1CCc2c(sc(N)c2C#N)C1)c1ccc(F)cc1 1660489632 QPCXCXOSVKFBBA-GFCCVEGCSA-N 415.494 1.693 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)[C@H]1CCCO1 1681593887 VDYWPXVKZSTCQW-DLBZAZTESA-N 420.307 1.984 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 1684187836 DIGPZADVWRRNLA-FUHWJXTLSA-N 401.463 1.039 30 10 HDEE N#CC1(CNC(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CCOCC1 1685656736 BMXJILGXIKBQHG-UHFFFAOYSA-N 401.423 1.383 30 10 HDEE CN(C)CC#CCNC(=O)N1CCN(Cc2cc(Br)ccc2F)CC1 1685832086 MHTIYWSNNUKVCZ-UHFFFAOYSA-N 411.319 1.980 30 10 HDEE COc1ccc(C[C@@H](CO)CNC(=O)NCC#CCN(C)C)cc1Br 1687888923 GNIWPYFNCFDBLG-OAHLLOKOSA-N 412.328 1.473 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCOCC1 1689849330 KJHGUIBTFPQNIR-YLJYHZDGSA-N 422.533 1.568 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1689980891 ZAFOMRZFMNJJDF-VQIMIIECSA-N 406.508 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1690026791 LNGIGQYWYFCDNS-UHFFFAOYSA-N 421.501 1.520 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1690248252 LWTMMNPLGURUDJ-HLIPFELVSA-N 416.570 1.611 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1690343941 HVFITEYXPPXFDP-CABCVRRESA-N 422.917 1.691 30 10 HDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1690470765 KSHAPYNPFCTVEG-INIZCTEOSA-N 403.531 1.719 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1690483955 ZRRCWLJTCAGJIR-HZPDHXFCSA-N 402.499 1.611 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCOCC2)C1 1690511415 ZTMYVNJLUNPOHP-UHFFFAOYSA-N 419.526 1.379 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCCCC1 1690671397 VICNJXVAVJUWRS-MRXNPFEDSA-N 409.556 1.499 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)N(C)C)C1 1690694803 VXJBGWYBAAJUKW-HNNXBMFYSA-N 423.514 1.757 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1690742280 LMFRTSPZLYPQEZ-HZPDHXFCSA-N 420.583 1.891 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1697669584 JIMGRTMYECNJQW-ZMMDAZFZSA-N 402.499 1.789 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(OC)CCOC1 1705486039 VRPBRVFVKADIER-MGPUTAFESA-N 408.466 1.184 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CCC1(O)CCOCC1 1705547309 COACLJJWVHAVBG-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1705568972 BJKBLSMZPCSKFT-RBUKOAKNSA-N 419.595 1.589 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1705589560 SEXPYSNEADEECC-AWEZNQCLSA-N 406.537 1.164 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](CC(C)C)N(C)C 1705598783 QPHBJJCJHIIXEO-RTBURBONSA-N 419.595 1.619 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1nnc2n1CCC2 1705623418 QUJSLHHWAJBWPA-UHFFFAOYSA-N 402.462 1.489 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCCC2)CC1 1705632044 GJUWILDXOPDSTM-UHFFFAOYSA-N 401.559 1.048 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(N)=O)CC1 1705694230 POWKJGFFQZXQTR-CVEARBPZSA-N 404.515 1.099 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)N(CC)C(=O)[C@@H]3C2)nnc1C(C)(C)C 1705740890 ZROVHFRDHXFZEU-HNNXBMFYSA-N 404.515 1.641 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705755160 NCOULIZNJVWHRV-UONOGXRCSA-N 410.931 1.660 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc(OC)c(F)c1 1705900803 PUKHPGFRJCOYEI-UHFFFAOYSA-N 411.441 1.821 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705947958 DNWPWYSEMRHURI-CVEARBPZSA-N 418.567 1.282 30 10 HDEE CCOCc1nnc(N2CCO[C@](C)(CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710747675 WZKSYKCJODSUBX-ZGAGMJPPSA-N 418.498 1.346 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1712184049 VOINVCZRFGMPNO-HOTGVXAUSA-N 416.457 1.415 30 10 HDEE COCCN(CCC#N)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1712451842 HPHDRUDGEGLKMQ-WUKNDPDISA-N 415.498 1.468 30 10 HDEE COCCOCCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1712613392 PDCFEFGINUKNMW-INIZCTEOSA-N 406.512 1.416 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1722335520 FGJSZJSNKXPVGW-UHFFFAOYSA-N 412.475 1.242 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1CC(=O)N1CCOCC1 1722346772 SDEZRYLEJNCHSQ-UHFFFAOYSA-N 418.295 1.636 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(C)[C@@H](C)CC 1722376892 HCPXAIPZHMBBAQ-SFHVURJKSA-N 417.521 1.724 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)Cc2ccccc2)CC1 1722437046 OXHLEFPLKQWOBS-FQEVSTJZSA-N 421.549 1.116 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCN2CCC[C@@H](C)C2)CC1 1722439856 RUSYPRUHFYUOBI-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCS(=O)CC1 1722463614 HMNWWLQCAZHVCI-UHFFFAOYSA-N 408.524 1.931 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CCN(C)CCOC 1722468588 NOOJFWLGTOZDRP-NHCUHLMSSA-N 405.543 1.501 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CCNC(=O)C2CC2)CC1 1722568612 SSBHMHPKXXGJGF-UHFFFAOYSA-N 414.535 1.952 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1722701237 KGLLPJVGEFLVOS-HNNXBMFYSA-N 415.498 1.617 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC(N)=O 1722706930 BHLUFOYUVILKGR-HOCLYGCPSA-N 412.494 1.542 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 1722724004 KNYJMVMXWPDERM-FQEVSTJZSA-N 402.520 1.866 30 10 HDEE CC(C)C(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1723089357 BAYLULFYZNGOQT-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1723779575 JYBPSIUNVQIFBC-HNNXBMFYSA-N 402.524 1.918 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCOC[C@H]2C)cs1 1725415230 SRZLPTJTTSLJMR-RHSMWYFYSA-N 417.539 1.083 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCCc1ccccc1 1726389991 VZCMECZFHAJWQE-UHFFFAOYSA-N 417.473 1.480 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1726539939 FZHSKMUXRBZYDB-LPWQTFTOSA-N 421.567 1.861 30 10 HDEE CCS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCOC1 1729209167 OIVRYPJCZZZPEP-MRXNPFEDSA-N 419.507 1.389 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1729304204 AQYFKHUUBNZGKM-NRFANRHFSA-N 423.477 1.326 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCNC2=O)CC1 1740564899 BKBNFENEYYXESS-UHFFFAOYSA-N 415.542 1.604 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CC)C1 1740730520 AXQXZWSZJZJZAI-ABSDTBQOSA-N 405.568 1.514 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C(C)=O)CC1 1740764919 LOVKUIWARICGMH-UHFFFAOYSA-N 417.558 1.081 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(O)c1 1740941808 SYFCCOALOUAYOE-INIZCTEOSA-N 406.508 1.573 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H](F)COC 1746335432 BGDHSHPRDMMISE-MRXNPFEDSA-N 409.487 1.672 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2Cc2cc(C)nn2C)CC1 1748993231 RKCANGAUNAQQIZ-UHFFFAOYSA-N 407.497 1.853 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCC(=O)NC(C)C)CC1 1748998807 ALRLTCHXVJXRLY-UHFFFAOYSA-N 424.549 1.835 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1749539265 XMXLGHHNOQOLGQ-JTSKRJEESA-N 408.506 1.900 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749677388 XREQCVNCEYMTQI-CVEARBPZSA-N 402.499 1.248 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cnn(CC)c2)C1 1749697146 HVIUOYVJSNEZAM-WIYYLYMNSA-N 416.526 1.976 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1Cc1nncn1C 1749832513 LADLZCYKESBQDG-UHFFFAOYSA-N 416.436 1.690 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccnc(SC)c1 1750005654 CNYMYTQUNYKQSF-ZBFHGGJFSA-N 418.523 1.896 30 10 HDEE COCCOCCn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1750105029 CIPARJABFKDJNH-UHFFFAOYSA-N 423.477 1.482 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1760143220 ZFKHUROGQFROSR-UWJYYQICSA-N 403.527 1.696 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1760151839 QDDXEUCLPUGSLF-INIZCTEOSA-N 402.524 1.519 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760160647 INKTXXBSWIDHDY-UHFFFAOYSA-N 414.457 1.646 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760193243 XCENUMMPVDXSCY-ZWKOTPCHSA-N 418.494 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1760206883 PWMIFBIHRMNZDD-NHCUHLMSSA-N 423.565 1.712 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCc2ccccc21 1760217400 ABQLWBYGQSGWDJ-XXBNENTESA-N 403.486 1.526 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1760528268 XIRLANACIIRZGL-HOTGVXAUSA-N 415.494 1.782 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1760548184 ZXMGPNVNOSQSSM-GVDBMIGSSA-N 410.540 1.736 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1763221047 BWQFBFZCKJEXSI-OALUTQOASA-N 422.489 1.789 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1763272476 AAHBWOMLBKZUQG-YSSFQJQWSA-N 402.499 1.070 30 10 HDEE CCc1nc(CCn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)no1 1764615221 HPYMMHQKSWFLDJ-IBGZPJMESA-N 400.487 1.734 30 10 HDEE CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1765605615 DEFOPJYZOFUJQV-HZPDHXFCSA-N 424.571 1.930 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1Cc1nncn1C 1767012517 AJDBAYUZVQTCSQ-UHFFFAOYSA-N 407.482 1.344 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1768217564 HFYRDALUNOMGRP-CYBMUJFWSA-N 417.495 1.451 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)C[C@@H](C)O1 1770940464 IOOIKEWPCJVBNL-APWZRJJASA-N 415.494 1.456 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CC(F)(F)CO2)C1 1771528259 MJNACTJHGHTHDX-SJKOYZFVSA-N 421.383 1.792 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)C)CC1 1772567109 MTAFAVJUTGKHIR-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE COc1ccc(C(=O)N2CCC(C(=O)N=c3nc(OC)[nH]c(C)c3C#N)CC2)cc1 1851168246 UYPBFMHOEXLIAX-UHFFFAOYSA-N 409.446 1.587 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)NCc2ccnc(C#N)c2)CC1 1851871987 JRNRUBUEIZKHBR-DLBZAZTESA-N 413.478 1.285 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1snc(N2CCOCC2)c1C#N 1852517151 TZCRVXIRLHGSAQ-AWEZNQCLSA-N 417.535 1.995 30 10 HDEE Cn1c(=O)ccn(C2CCN(C(=O)c3nc(-c4ccccc4)ccc3C#N)CC2)c1=O 1852983397 GTKQWKAGRJVRGG-UHFFFAOYSA-N 415.453 1.958 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCC2 1853683181 CKGHXVYRXWSNFN-QGZVFWFLSA-N 403.523 1.574 30 10 HDEE Cc1oncc1C(=O)N1CC[C@@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853743395 MCOBLUVUONETCX-GOSISDBHSA-N 413.478 1.198 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 1854642698 VJRHZCWVZMELHQ-HZPDHXFCSA-N 404.536 1.547 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@H]4C#N)C2=O)CC1 1855516502 VECPXKCIEZYGGQ-RBUKOAKNSA-N 400.523 1.778 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1855602291 HKXSNMUOCROUPM-QGZVFWFLSA-N 419.547 1.968 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccccc3F)C2)CC1 1855873572 WOCRKEUUBNMWKQ-INIZCTEOSA-N 407.449 1.903 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)CC2=O)cc1 1856069409 PCUOPLRLMQQBBW-UHFFFAOYSA-N 406.508 1.305 30 10 HDEE Cc1ccc(C(C)(C)CC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1 1856091938 GSYKVANWURRYMK-UHFFFAOYSA-N 405.520 1.966 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN([C@@H](C)CCC#N)CC2=O)cc1 1856408556 SJDHHVFUQJAFJG-INIZCTEOSA-N 405.520 1.774 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CC2CCC(=O)CC2)C1)[C@H]1CCN(C)C1=O 1857060481 FXAQRHZWADRKPR-HKUYNNGSSA-N 403.523 1.620 30 10 HDEE Cc1cccc(CC(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)c1 1857073568 RXOTURLCSWHBDR-FQEVSTJZSA-N 403.486 1.754 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3ncccc3n2)C1)[C@H]1CCN(C)C1=O 1857236525 HRWKBNRMJRJXIT-KXBFYZLASA-N 407.474 1.337 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857339470 PFNYEGIMHANBKQ-DLBZAZTESA-N 420.510 1.375 30 10 HDEE CN(c1ncc(Cl)cn1)C1CCN(C[C@@H]2CCC(=O)N(C(=O)CC#N)C2)CC1 1857386247 HJTXXRUMVOYORB-AWEZNQCLSA-N 404.902 1.709 30 10 HDEE C[C@H](CS(=O)(=O)Nc1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1 1858111800 XFKCBYSTPKPTDI-OAHLLOKOSA-N 414.491 1.075 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)CCc2ccccc2)C1 1858335491 NWSBZYKXXZCPEC-GOSISDBHSA-N 419.528 1.483 30 10 HDEE Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)c2ccccc2C#N)C1 1858338312 XNYUAHSSEDISPD-INIZCTEOSA-N 405.501 1.608 30 10 HDEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340082 IKEVICLTWMLMQJ-LBPRGKRZSA-N 407.386 1.857 30 10 HDEE C#CCOc1cn(C[C@H]2CCCO2)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871006788 WWHMECMIOSEKKS-QGZVFWFLSA-N 417.487 1.299 30 10 HDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622387 NJSQEXSTAOPMAY-UHFFFAOYSA-N 424.553 1.854 30 10 HDEE CC(C)(C)OC(=O)NC1CC(CCNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174786045 FZWYKRRLMALYFF-UHFFFAOYSA-N 401.529 1.920 30 10 HDEE Cn1cc(I)c([C@@H](CN)N2CC[C@@H]3SC(=O)C=C3C2)n1 2177652904 WHJPYSVNEHNAQH-MNOVXSKESA-N 404.277 1.299 30 10 HDEE C=CCN(CC=C)S(=O)(=O)NC[C@H](C)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446164 FWAMRSUZELYNTF-MAUKXSAKSA-N 403.545 1.503 30 10 HDEE Cn1nc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2255833661 AABLPGCLSGFLPI-GOSISDBHSA-N 424.354 1.971 30 10 HDEE Cc1cc(S(=O)(=O)N2CCS(=O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2267363852 PGZDHJFNNUBSKF-UHFFFAOYSA-N 405.372 1.109 30 10 HDEE Cn1nc(C(=O)N2CCC[C@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267503608 GLQAHYJNWHLNBO-NSHDSACASA-N 411.695 1.350 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCOC(=N)O)cc2Cl)OC1(C)C 2267707375 PPTOTIUBJYUOBT-UHFFFAOYSA-N 410.710 1.488 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](S(N)(=O)=O)C3)c2Cl)OC1(C)C 2281938175 KMBNOBDEZYRSOL-SECBINFHSA-N 420.749 1.204 30 10 HDEE Cc1cc(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282189996 NKXSUSASBUKVAG-NEPJUHHUSA-N 401.359 1.907 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](N)CC1 2282317065 LXMPFMAROCWAOO-JOCQHMNTSA-N 400.375 1.904 30 10 HDEE CCN1CCC[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331278 LSCFDJSMSPRGDL-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H](O)[C@H]1CCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332334 ZHNCGPLAJHKPJI-TZMCWYRMSA-N 401.359 1.971 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282344633 WMVGVACHZHEHCL-ZJWNCGCPSA-N 401.359 1.421 30 10 HDEE C[C@H]1C[C@@H](C)NCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282345894 RWGRESJFQLVVQA-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C 2282352531 PJJIGEAPMZCHTN-CHWSQXEVSA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@H](CO)C2)OC1(C)C 2282506859 YOGMXBWRZHMNEP-ZDUSSCGKSA-N 401.359 1.581 30 10 HDEE CO[C@@H]1CN[C@H](CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282640249 KZUSRTANBHEQOP-QWRGUYRKSA-N 400.737 1.807 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4CNC[C@H]43)cc2Cl)OC1(C)C 2282827726 CGQYYDDRQLURRU-ZYHUDNBSSA-N 418.777 1.683 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282840551 HSCSCSRKLQUJLW-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE C[C@H]1CNCC[C@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848977 VDFIKBJUUFVLTP-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC[C@]1(O)CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282878338 DTXVJJLPRUKGOW-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]3(C(=O)O)CC3(C)C)c2)OC1(C)C 2284393946 RNDAVCXXOMLZKQ-INIZCTEOSA-N 401.315 1.579 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(C(=O)O)C2)c1B1OC(C)(C)C(C)(C)O1 2284394998 GHOLTAPEFQKFHZ-UHFFFAOYSA-N 401.315 1.369 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H](C(=O)O)C2CC2)OC1(C)C 2284398821 CEKQDHBTBKAEQG-LBPRGKRZSA-N 401.315 1.330 30 10 HDEE COc1cc(Br)cc(C=Nn2c(S)nnc2CNC(C)=O)c1OC 2321940470 FWNYOKHMRKFIFW-UHFFFAOYSA-N 414.285 1.865 30 10 HDEE COc1ccc(C=CC(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)cc1 2325512928 UEDQANIGZBRTBL-UHFFFAOYSA-N 402.428 1.741 30 10 HDEE COCCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1cccnc1 2331273383 CSDCZUFYRXCSLZ-UHFFFAOYSA-N 400.464 1.746 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCCn2cc(Br)nn2)[nH]1 2337021981 KQCCMNOQNHMHGG-UHFFFAOYSA-N 408.109 1.577 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C 2342044246 MAXSJPOEDUQBFD-UONOGXRCSA-N 406.485 1.671 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365247931 HRVAAPDRYLLXAU-KGLIPLIRSA-N 403.497 1.682 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2367790346 GXBWTBBMTAVSPP-HOTGVXAUSA-N 400.541 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790802 VZUJBSZNBVBQSM-GJZGRUSLSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)NCC(C)(C)[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792277 NBMHCFQTKGERHR-CYBMUJFWSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367816621 IHAATFFAZXDPQY-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367819176 ONQIGEUMMBFEHU-CABCVRRESA-N 402.557 1.599 30 10 HDEE C=CCNC(=O)Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(OCC)cc2)n1 22628977 UBGBJTAGWYESSG-UHFFFAOYSA-N 402.476 1.744 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(c2ncnc3c2cnn3C)CC1 23462854 DVJKOQNQWVXTQZ-UHFFFAOYSA-N 416.445 1.890 30 10 HDEE COc1cc(/C=N/Nc2nc(S[C@H](C)C(=O)N(C)C)n[nH]2)c([N+](=O)[O-])cc1O 59820608 UNJIABZVSWRWRT-XUNMKLQISA-N 409.428 1.442 30 10 HDEE COCCN/C(S)=C(/C(=O)c1[nH]c(C)c(C(=O)OC)c1C)[n+]1cc(O)ccc1C 139873966 WASGAVKJUBUVHK-UHFFFAOYSA-O 420.511 1.894 30 10 HDEE CCC[C@@H](/C(N)=N/O)N1CCN(c2ncc(I)cn2)CC1 159146290 RDBMJBZQQHQEGA-NSHDSACASA-N 404.256 1.118 30 10 HDEE CC(C)Oc1cc(N2CCN(C)[C@H](CCOS(C)(=O)=O)C2)ccc1[N+](=O)[O-] 215976247 NWTHTBKNOCRGDF-OAHLLOKOSA-N 401.485 1.869 30 10 HDEE COc1cc(Br)ccc1[C@@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 410388820 SHXHLMGQDSDVNP-PWSUYJOCSA-N 404.286 1.577 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)c(SC)nc2O)cc1 430107454 UAVIUEJSLAXUOX-UHFFFAOYSA-N 421.500 1.731 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 434382734 HFXMAKUCECYWPA-UKRRQHHQSA-N 406.426 1.926 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)OC 435941868 LLTJXRSXUQZOGB-KBPBESRZSA-N 416.521 1.152 30 10 HDEE COc1ccc(Cl)cc1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C 460604645 ZGLSURWEQOUNRG-UHFFFAOYSA-N 424.848 2.364 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)[C@@H]1C 460928046 AGULDICBHXIGKY-ZNMIVQPWSA-N 415.585 1.517 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCOC1 461617267 VMUOVKSMCPJCFG-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE CC(C)CN(C(=O)CS(=O)(=O)c1ccc(C#N)cc1F)[C@@H]1CCS(=O)(=O)C1 463063177 BKAVDTRRUFJPKU-CQSZACIVSA-N 416.496 1.143 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 465193791 JWBGAFQHVURGCT-HNAYVOBHSA-N 420.473 1.817 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCN(CCC(=O)N(C)C)CC2)c1C#N 473426617 HKTSJYIRIGCJCF-UHFFFAOYSA-N 401.536 1.789 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 473869915 AHEVMPHQKVDTPK-UHFFFAOYSA-N 410.440 1.862 30 10 HDEE COc1cc(CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 480122017 SVYMDBHKBBBSSA-AWEZNQCLSA-N 417.487 1.901 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 502519990 OGFPKCZUDWBTSA-JOCHJYFZSA-N 420.554 1.795 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCc2ccccc21 515921989 MQRFHKBTTWVGMD-QZTJIDSGSA-N 417.535 1.921 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)[C@H]1CCS(=O)(=O)C1 517764509 YKBZYSVKGMLYRK-MJGOQNOKSA-N 422.522 1.809 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)c1ncc(C(=O)N2CCOCC2)cc1Cl 531386594 IJHZJGAIFFHVJS-UHFFFAOYSA-N 403.874 1.453 30 10 HDEE N#CCN1CCC(CNS(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CC1 542745661 RWPZEWXOSKLJPN-UHFFFAOYSA-N 402.520 1.426 30 10 HDEE N#Cc1cccc(N2CCN([C@H]3CC(=O)N(c4ccc(C(=O)O)cc4)C3=O)CC2)n1 544874881 JBZLXIYCFXDNOV-KRWDZBQOSA-N 405.414 1.106 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3c[nH]c(C(=O)N4CCCC4)c3)CC2)n1 546182393 CYHMBFFDBFAGHL-UHFFFAOYSA-N 414.491 1.028 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 553079538 VCKBPVKWFVSDGZ-QWQRMKEZSA-N 401.529 1.472 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 555271509 AQEOLKXBFQUVKZ-HNNXBMFYSA-N 420.514 1.617 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NCc2cnc3ccc(C#N)cn23)c1 560244502 ZWCGUYCWSRKHFY-CYBMUJFWSA-N 412.475 1.231 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)C[C@@H](C)O1 561483094 BSVOZSVIZZIPGG-MJBXVCDLSA-N 418.479 1.147 30 10 HDEE C=CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 576194218 ZNMRINOHJYLDPC-CQSZACIVSA-N 413.496 1.165 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)CC1 579191648 LMUARKNMJOMAIB-UHFFFAOYSA-N 404.492 1.512 30 10 HDEE COC(=O)c1ccccc1NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 611598139 AHVLQTMPCOICBP-UHFFFAOYSA-N 423.429 1.498 30 10 HDEE CN(C(=O)CN1CCN(c2ccccc2S(N)(=O)=O)CC1)C1(C#N)CCCCC1 615457296 ZGVHZKVNBNYFQM-UHFFFAOYSA-N 419.551 1.141 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)c(F)c1 616416543 YRELEYQTCOUGSJ-HNNXBMFYSA-N 402.451 1.495 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ncccc3C#N)CC2)CC1 619510249 NUDVLNNABNGSBL-HXUWFJFHSA-N 418.545 1.981 30 10 HDEE CCN1CC[C@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1=O 619843096 DGZJOKOEFJJUJU-IBGZPJMESA-N 406.442 1.813 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](CC1CCN(S(C)(=O)=O)CC1)NCC 691246889 VIDKBOLZDPSHLP-IRXDYDNUSA-N 401.573 1.943 30 10 HDEE CN[C@H](C#N)Cn1c(C)nc(I)c1I 725538103 RCNNIBDRKLBBEY-ZCFIWIBFSA-N 416.004 1.512 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC(C)C)sc(=Cc3ccoc3)c2=O)c1 727416935 AAVULVCLYAZTLV-UHFFFAOYSA-N 417.490 1.749 30 10 HDEE C[C@@H]1Oc2ccc(C(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)cc2NC1=O 728099923 KARVFSOVIWOGEA-LBPRGKRZSA-N 407.382 1.434 30 10 HDEE C#CCN(C(=O)COc1ccc(C(=O)c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 729331004 LWEUDLVTRKJFTH-IBGZPJMESA-N 411.479 1.945 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(OC)cc2)no1)[C@H]1CCS(=O)(=O)C1 729332335 NCSYXWDKOQJTOP-HNNXBMFYSA-N 403.460 1.327 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@@H](C#N)c2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 731197501 UVFUHORVKDPSOH-PODYEWJSSA-N 408.336 1.377 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1nnc(Cc2cccc(F)c2)s1 732433394 HOYYFTPIZDJWCQ-NXVVXOECSA-N 416.438 1.916 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)c1 733877381 QRMJJBHAYAAQJU-UHFFFAOYSA-N 411.443 1.315 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2csc(N3CCCC3)n2)c1 734236344 WLBMUCYKHCKKFX-UHFFFAOYSA-N 418.544 1.627 30 10 HDEE CNC(=O)c1cccc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 745494988 DTGRJTKNSRJZJG-CYBMUJFWSA-N 415.471 1.607 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CCN1C1CC1 749240033 KUTUFATVMHMQLL-CVEARBPZSA-N 418.523 1.324 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](C)c1ccc(S(C)(=O)=O)cc1 753407702 HMQPJNYNHSXJPO-ZDUSSCGKSA-N 406.485 1.879 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 755474392 MJFFZIZKPPTXLU-LBTBCDHLSA-N 404.426 1.787 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCCC1 756910893 MMSGSVLBKZDDIZ-UHFFFAOYSA-N 419.547 1.406 30 10 HDEE NC(=NOCCCN1C(=O)CNC1=O)c1ccc(COc2ccccc2F)cc1 758418671 KFHUYPJLXOLZQZ-UHFFFAOYSA-N 400.410 1.984 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760552858 RZTMEKTVVVPOOQ-QFIPXVFZSA-N 404.474 1.890 30 10 HDEE O=C1CCc2cc(-c3noc(C/N=C4/NS(=O)(=O)c5ccccc54)n3)ccc2N1 762228307 KRXLHVWCEWMVKI-UHFFFAOYSA-N 409.427 1.860 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C(=O)OC[C@@H]3C2)cc1OC 764144306 YROMGNUMXSXVKC-INIZCTEOSA-N 405.451 1.888 30 10 HDEE COc1ccc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2=O)cc1 767221637 TVGLFLRCYLVICL-UHFFFAOYSA-N 414.487 1.453 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)CCN1CCCS1(=O)=O 769721651 AZFDIKPTPBYYSB-UHFFFAOYSA-N 403.254 1.660 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)Nc1cccc(S(C)(=O)=O)c1 780175587 JHCALMCZUPSRAK-IBGZPJMESA-N 424.475 1.833 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCN(C2CC2)[C@H]1c1cccc(OC)c1 783016597 IXYZHPXVDDYJRW-MOPGFXCFSA-N 407.536 1.873 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)c(F)c2)N(CCCn2ccnn2)C1=O 784129033 RTQDQEQKAKRPHE-OAHLLOKOSA-N 404.471 1.884 30 10 HDEE Cn1cc(C#N)cc1C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 786665095 JGRGIPRAFJZHEW-UHFFFAOYSA-N 411.466 1.996 30 10 HDEE C=CC[C@]1(C(=O)N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)CCCN1C(=O)OC(C)(C)C 790738707 KISPDWJZKPQPRH-QVKFZJNVSA-N 420.510 1.827 30 10 HDEE COCCn1c(COc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802494371 CHDIDPZECYEUHI-INIZCTEOSA-N 400.458 1.819 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 810019013 WHUNFOOTVMYDRN-QGZVFWFLSA-N 403.458 1.807 30 10 HDEE C#C[C@H](NS(=O)(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 810099112 FDNDMQJPNWCMFC-KRWDZBQOSA-N 412.920 1.912 30 10 HDEE N#Cc1ncccc1COC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 813164795 KRZWJZZZNRDALV-UHFFFAOYSA-N 417.443 1.526 30 10 HDEE Cc1cc(C#N)cc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1 1129377113 DOJQGXRFDMOKJH-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCN(C)CC1 1134262911 WCTHXLDKZBRBRQ-UHFFFAOYSA-N 417.575 1.952 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)NCc2ccccc2)s1 1136211222 KIAOJBFDQHVCKL-UHFFFAOYSA-N 407.517 1.188 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC)[C@H](O)c2ccccc2F)c1 1137410628 FREWUFCAOOIGSQ-RBUKOAKNSA-N 404.463 1.979 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cccc(-n4[nH]nnc4=N)c3)CC2)c(Cl)c1 1139401456 HGJIWZMHPFKPAP-UHFFFAOYSA-N 408.853 1.562 30 10 HDEE CN(Cc1nc(=O)o[nH]1)C(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1143361205 SUSGNJIKAZQTRB-INIZCTEOSA-N 413.434 1.727 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 1144027567 NXBLSIPQSNAMSC-QZTJIDSGSA-N 420.554 1.163 30 10 HDEE CCN(CC(C)C)c1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1157893747 QLIVKEXOMUGDNI-KBXCAEBGSA-N 410.565 1.565 30 10 HDEE C#CC[C@@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1161365478 UCCHQNFYNSTNJE-CQSZACIVSA-N 405.455 1.145 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1165833467 QFDXQUFXSKYRKL-KYQLEGECSA-N 407.467 1.220 30 10 HDEE CC[C@@H](CC#N)NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1170947932 CFZYPFGAUKNEDT-KRWDZBQOSA-N 406.508 1.004 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](COC)[C@@H]2CCCOC2)s1 1178048905 YOSONPCNXZIAOV-HIFRSBDPSA-N 402.538 1.313 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)CC1 1178207021 FUXPAFKOBSUKTH-UHFFFAOYSA-N 414.531 1.549 30 10 HDEE C=CC[C@H]1CCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1180063975 SWLZRGPNWFRZRV-INIZCTEOSA-N 409.483 1.469 30 10 HDEE C#CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)CC(=O)OC(C)(C)C 1195876445 JSRMYTGOCAYQCB-UHFFFAOYSA-N 423.535 1.461 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@@H](C)C(=O)N(CC)CC)CC1 1270325309 BKOBICPCMLOGTE-MLYQTUFZSA-N 401.551 1.593 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1286297752 YHVXODNMNJJMMW-WMLDXEAASA-N 419.507 1.188 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1286339534 NGZCLTXJGXFGEY-FQEVSTJZSA-N 415.519 1.464 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1286385848 PVFJBXFFEKHLDV-GOSISDBHSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccc(OCCOC)cc1 1286406868 KLLZNSICJADPLT-UHFFFAOYSA-N 402.458 1.881 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1nnc(C)s1 1286466979 PBUMOEANGMKKKT-UHFFFAOYSA-N 422.518 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCNC(=O)C(C)(C)C)CC1 1286489954 DTDQFBPDHDTJIU-UHFFFAOYSA-N 400.527 1.284 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(CC(N)=O)CC1 1286564641 YHWUADXZDKDZEH-APWZRJJASA-N 411.510 1.808 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)NC(C)C 1286716872 NHJKYXKTHZXBGL-UHFFFAOYSA-N 419.555 1.693 30 10 HDEE C#CCC1(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)CCOCC1 1288220912 ICNLMSDGLNILND-SGYMCOKNSA-N 402.535 1.877 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nc(-c3ccncc3)no2)c1 1293551412 YQAMKWRZVZPBIS-UHFFFAOYSA-N 401.379 1.498 30 10 HDEE CN(C)CCOCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1298094858 ZITSJCOMIDCGHH-UHFFFAOYSA-N 424.553 1.402 30 10 HDEE COC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1299455870 COQRECPLFKILBX-HNNXBMFYSA-N 414.466 1.652 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1300371350 CMQNXGYBXNLEEL-UHFFFAOYSA-N 414.554 1.899 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1300422164 YCTGBCFRWYQQGR-UHFFFAOYSA-N 413.526 1.285 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(=O)(=O)CC 1300441528 QWHFCMNZEKCASA-UHFFFAOYSA-N 406.468 1.252 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1300488739 VKKWYAPHLZZCNL-CQSZACIVSA-N 416.532 1.713 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1300499121 PKMIQZNGKFKVBX-SFHVURJKSA-N 401.536 1.937 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(S(C)(=O)=O)CCC1 1300597779 TYFNRWAQAVZNMV-UHFFFAOYSA-N 416.507 1.352 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nccnc2C)CC1 1300777302 TXPCZMDQKDNTKO-UHFFFAOYSA-N 401.540 1.606 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1300813097 ADZATEDUUWWCBY-OXQOHEQNSA-N 419.551 1.217 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1300855276 DQLMRNPZCXSXNL-JBYIUTFZSA-N 424.505 1.570 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCOC2)C1 1300972782 PURSVTXEXGEZRN-NRFANRHFSA-N 421.542 1.785 30 10 HDEE C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@](C)(C(F)F)O1 1301081095 NXGKVQOTYSXICT-SJKOYZFVSA-N 401.435 1.763 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](C)O[C@](C)(C(F)F)C1 1301084948 QEEVGXBSQDMBLR-PEBVRCNWSA-N 401.435 1.496 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1)C(C)C 1301367498 PCBLOYBSJHRPFS-HKUYNNGSSA-N 424.615 1.755 30 10 HDEE CC[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1305827857 GNGAJNAHYCRBMC-ROUUACIJSA-N 423.521 1.852 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1307646148 DOCYUHKYUFPTOI-IRXDYDNUSA-N 406.527 1.705 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)cc(OC)c1)[C@H]1CCS(=O)(=O)C1 1313266825 IZVLRVWQAPDYMZ-AWEZNQCLSA-N 415.309 1.790 30 10 HDEE CN(CCC(F)F)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1314826797 DGSSSSBXRFVGCN-WKSPDDFDSA-N 410.425 1.747 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C 1316101174 DPKKHDGRKAAYLE-GOSISDBHSA-N 417.535 1.903 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)C1 1325229267 WSMRVEUTAKUFPK-LAUBAEHRSA-N 400.479 1.238 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2cn(C)nn2)c1 1354586396 IDGAZLZMIHDJSZ-PYCFMQQDSA-N 418.523 1.979 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(CC)CCS(C)(=O)=O 1358925135 VBRAWVYVPGLKME-UHFFFAOYSA-N 404.492 1.958 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C2CC2)C1=O 1358983847 YFJDNUFFJBSMIJ-SGXKBVARSA-N 411.506 1.086 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2cccn2)cc1 1359022494 BMIDKZHSFKKRCY-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCS(=O)(=O)C1 1359063134 HWCZDZVRPLHRJY-FOIQADDNSA-N 421.567 1.623 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 1359132370 VUFPPFHGXLSOFJ-LSDHHAIUSA-N 418.523 1.856 30 10 HDEE C=CCCCn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1359221232 VIBTXGXELIFQMH-IBGZPJMESA-N 412.556 1.910 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]34CCCC[C@H]3OCC4)CC2)cc1 1441015448 XPISHNJGMZDZJP-QUCCMNQESA-N 403.504 1.740 30 10 HDEE CN(C)C[C@@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446586344 MIYZJJYKVHIOQW-GCJKJVERSA-N 416.522 1.821 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1449167985 DKFBLOCZQKLTMH-CQSZACIVSA-N 405.455 1.116 30 10 HDEE C[C@@H]1CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@](C)(C(F)F)O1 1453697031 SRYZLZPSNQVVSC-KZULUSFZSA-N 415.462 1.776 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3cccc(OCC)n3)CC2)c1 1459458712 QRXGRZQTOXPODJ-UHFFFAOYSA-N 407.474 1.932 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1460602293 HEKDGYBPGQPLNL-SFHVURJKSA-N 411.543 1.752 30 10 HDEE C#CC[C@]1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCCN1C(=O)OC(C)(C)C 1460840474 DOGNDSSGAPGTAE-HXUWFJFHSA-N 418.498 1.066 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2ccc(OCCOC)c(Br)c2)CC1 1463538718 GYPGDVPFFSWOEU-UHFFFAOYSA-N 417.325 1.414 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)N2C[C@@](C)(CO)[C@@](C)(CO)C2)ccc1OC 1468772365 BLSIQGIQLRCOTQ-ORYQWCPZSA-N 405.495 1.899 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)n1 1470228293 NDFCCKUWNFQPQM-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)CC1 1471451831 ZLAGOEYCRDRNHP-UHFFFAOYSA-N 415.471 1.375 30 10 HDEE Cc1ccc(C(=O)NCCCN(C)c2ccccn2)cc1S(=O)(=O)NCC#N 1471490366 HUIUNSRPFFBAIM-UHFFFAOYSA-N 401.492 1.448 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1471536478 XHYUZXVCKPQHSX-AWEZNQCLSA-N 402.538 1.198 30 10 HDEE CC(C)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(C(F)(F)F)ccn1 1472371626 VGRUSNSCCCEYTL-UHFFFAOYSA-N 407.352 1.595 30 10 HDEE CNS(=O)(=O)N1CCN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 1473515392 BIOOEVLWWHJCKP-KRWDZBQOSA-N 407.540 1.020 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC1(c2ncc(Br)cn2)CCC1 1478285026 TVBARYKWDGVCBA-UHFFFAOYSA-N 403.302 1.518 30 10 HDEE C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1nc(-c2ccccc2)no1 1478347188 XKCCYYVZMAGJRZ-WTANOLMUSA-N 415.475 1.420 30 10 HDEE C#C[C@H](NC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1)C1CCOCC1 1479007478 KDKRYVLCDIKUDB-IBGZPJMESA-N 414.506 1.908 30 10 HDEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@](F)(C#N)C2)s1 1492764994 UDMYVTPFOUXWSE-SFHVURJKSA-N 418.502 1.749 30 10 HDEE CC[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1)OC 1497170844 BQBJKYRCLZOUSQ-YOEHRIQHSA-N 420.539 1.821 30 10 HDEE CCc1nnc(N2CCC[C@@H]2[C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1499085401 HERGNSNKPOBKLB-DGKZKERLSA-N 400.483 1.515 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCOCCCO)C1 1505315376 PZRDIYAJMIPEAM-LJQANCHMSA-N 409.412 1.988 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1505322776 UAVCBNDHYTZANO-IGGDJGDASA-N 419.445 1.200 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1507571828 OKUWEZLHCQDPNP-LJQANCHMSA-N 416.570 1.924 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507631304 CQEXJKVJHCAXMB-YVSFHVDLSA-N 419.551 1.292 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(NC(C)=O)cc2)CC1 1507715573 DKVXLQXWAZBTKN-UHFFFAOYSA-N 423.521 1.178 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507868267 GXDQKRBMUQXYHC-MRXNPFEDSA-N 408.934 1.279 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)CCN1CCOCC1 1507919862 PXUFPOKUOCIRAG-UHFFFAOYSA-N 404.559 1.771 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1507954920 RZAAHHRDIJZNMG-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1)C1CC1 1507992601 BJLTWGBISOCDRP-KRWDZBQOSA-N 410.478 1.296 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OC 1508018203 AULCCGBSCHJOGW-MRXNPFEDSA-N 403.508 1.811 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(C)C)C1 1508140873 KCAUKHVHPBYSIO-HZPDHXFCSA-N 409.556 1.702 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](C(=O)OC)C1 1508141858 PIKFSUYJFARURP-LSDHHAIUSA-N 412.512 1.120 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1513977041 YZVRCENSHIITEY-ZWKOTPCHSA-N 410.478 1.337 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H](C)N(C)C 1519319215 LPCXVFXGBQYJIX-JFIYKMOQSA-N 405.547 1.129 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1525975361 YLCAMNBELXVTPI-ZACQAIPSSA-N 409.464 1.598 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccc(N2CCOCC2)c(F)c1 1532112656 FJRCOVZTTZFZBY-UHFFFAOYSA-N 400.414 1.346 30 10 HDEE COC(=O)[C@@H](c1ccc(Br)s1)N(C)C(=O)[C@H](C)n1cnc(C#N)n1 1532536951 OLLCCAFJDCKHDO-QPUJVOFHSA-N 412.269 1.907 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1 1535780891 KDEKNXXQDKXOKA-MRXNPFEDSA-N 402.407 1.423 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(F)c(Br)cc3F)C[C@H]1CS(=O)(=O)C2 1536179098 CAPSWKPTGDAKJY-RTHLEPHNSA-N 405.220 1.738 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCc3cc(Br)c(F)cc3C2)C1=O 1536946230 LZFUJHNSPSTGOF-UHFFFAOYSA-N 424.226 1.450 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N(C)Cc2cc(C#N)cs2)cc1 1538814017 LDPBOGKSEMUEOG-UHFFFAOYSA-N 405.501 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1539036122 YKNPWQOQPIZVHN-HRCADAONSA-N 416.526 1.809 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1539093578 ADNPILUIEPCJKU-HZPDHXFCSA-N 419.555 1.419 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)N(C)CC 1539176872 UAZCBWNSDKVJIG-UHFFFAOYSA-N 418.542 1.940 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539216531 UOQFXMHZFHKLGT-MRXNPFEDSA-N 413.507 1.105 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nncn2C)CC1 1539460080 VJUNBNJUOVRLJF-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540036466 NMBZJPDDPNZJJU-INIZCTEOSA-N 411.572 1.999 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@H]2COCCO2)CCOC1 1541721469 XSVHENLFERXCJS-GHTZIAJQSA-N 419.526 1.864 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H]1C 1547636669 AMHQIUUQKQMCKT-HOTGVXAUSA-N 416.551 1.780 30 10 HDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1)C1CC1 1552794705 HJLYIESNSGZRRK-MJGOQNOKSA-N 423.521 1.381 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1554301443 NNCKUJKTHJCRCQ-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CSCCS2)cc1 1555989189 BQJXORZUYHHBFM-MRXNPFEDSA-N 414.560 1.992 30 10 HDEE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@H]1CCCN(O)C1=O 1556782791 SNUQXKFQAJBQFI-ZDUSSCGKSA-N 419.297 1.499 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1ccccc1F)[C@H](C)O 1557344405 KZXQQFIZYVDSJW-LXIYXOSZSA-N 405.451 1.602 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1557362369 ISARJYIMHUWHET-HNNXBMFYSA-N 405.499 1.663 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)cc1 1558654297 FUYBQCUKZXDWSV-IAGOWNOFSA-N 419.503 1.432 30 10 HDEE CNS(=O)(=O)N1CCN(C(=O)Nc2ccc([C@@H](C#N)c3ccccc3)cc2)CC1 1562174906 DNTOLOPUNFSVAF-IBGZPJMESA-N 413.503 1.956 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C)cc2OC(C)C)CC1 1564297771 IRHYPQOHKGAWRY-UHFFFAOYSA-N 408.524 1.077 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1565238788 CFGVVDMPKXIIIJ-IBGZPJMESA-N 421.457 1.485 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1 1568994788 DTPMYNRHKJXWAK-INIZCTEOSA-N 400.414 1.210 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CCCCCNS(=O)(=O)c1ccc2c(c1)OCCO2 1569205077 GFRKWKPXBSBHEA-SJORKVTESA-N 424.519 1.756 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1583197647 IWVDBCGMUCDGRD-AWEZNQCLSA-N 412.446 1.424 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNC(=O)c1cccc(OC)c1 1584045111 JMWYAYKBHCYLCE-KRWDZBQOSA-N 403.479 1.848 30 10 HDEE Cn1c(C#N)ccc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182078 BQYOPVXTOVXKMX-CQSZACIVSA-N 410.496 1.051 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc4cncc(Br)c4n3)C[C@H]1CS(=O)(=O)C2 1585138787 MGUIBFRPDUDAKZ-ZBEGNZNMSA-N 421.276 1.403 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)CC(O)C1 1586110838 DTAFVIKOVACBBM-UHFFFAOYSA-N 414.506 1.873 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587856806 RYUNALOFWHNAGZ-OALUTQOASA-N 414.554 1.328 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588055814 ZVLBFROOUIUEFK-FUHWJXTLSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN(CC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588059829 VWTVSEXWWMCHAV-SFHVURJKSA-N 409.600 1.834 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(NC(=O)C(C)C)CC1 1588975754 LKAOVYDCTKYKHY-UHFFFAOYSA-N 420.583 1.524 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594497243 DESJBFMTWZOGDJ-CVEARBPZSA-N 416.526 1.269 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1594857866 SBTOWYGEEQZCLV-AUUYWEPGSA-N 424.498 1.729 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCC(=O)N1 1594943144 LIVLKPZPDPQXLS-CYBMUJFWSA-N 403.512 1.139 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)CC(C)(C)C1 1595551099 LVZAYOHOYMSUJE-CABCVRRESA-N 409.556 1.355 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)C2)cc1 1595614192 PKUPEZGVHQIYCQ-QGZVFWFLSA-N 410.478 1.121 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)[C@H](C)C1 1596172592 URBLPPWRJNFODU-RDTXWAMCSA-N 407.478 1.152 30 10 HDEE C=CCn1cc2ccc(NC(=O)CCN3CCN(C(=O)[C@@H]4CCCO4)CC3)cc2n1 1597381482 YDNKHFAORAGLDC-FQEVSTJZSA-N 411.506 1.874 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2nc(C(N)=O)cs2)C1 1610925511 ZKCWTUGVFWLGML-UHFFFAOYSA-N 406.265 1.951 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCN(c2ccc(NS(C)(=O)=O)cc2)CC1 1611007619 QCQFMJYPAMGPQS-UHFFFAOYSA-N 414.487 1.901 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ncnc(O)c3Br)C2=O)cc1 1611526987 APQPUPRBKYCLAH-LBPRGKRZSA-N 416.235 1.742 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1617608546 GLCYZNNVVZSZDO-UHFFFAOYSA-N 421.505 1.354 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCO[C@@H]2CCOC2)c1 1620348319 RURJQLHXNSGGTK-LJQANCHMSA-N 424.505 1.714 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 1620573501 NKCNAPQVXNYMDM-SFHVURJKSA-N 417.531 1.067 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CC1 1621762337 KCLAMTKJAXDVAD-UHFFFAOYSA-N 420.304 1.616 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OC 1622450109 JKXBYJCFADDBHD-JTQLQIEISA-N 403.258 1.278 30 10 HDEE C=C(C)CONC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 1622789164 FRFDHEIPZXAPBV-CQSZACIVSA-N 411.480 1.890 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@@H](C)NC(=O)OC(C)(C)C 1624732227 XNDJNECUPQOJQM-QWHCGFSZSA-N 424.523 1.533 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 1624926649 DXSBFZZNNIZGQI-QWEZLZDISA-N 401.492 1.966 30 10 HDEE CCOC(=O)c1cn(C)cc1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626809785 BZCZJHJAELQGTM-MRXNPFEDSA-N 423.429 1.917 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1627136256 DHUQLJSXTGVZHK-SMDDNHRTSA-N 416.240 1.302 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[C@](O)(c1nccn1C)C(F)(F)F 1629008977 IXPPSHHLWLGLKU-KRWDZBQOSA-N 418.416 1.547 30 10 HDEE C#CC1(O)CCN(C(=O)CCn2cnc3ccc(Br)cc3c2=O)CC1 1630038355 BAEQBRAVBFUWJL-UHFFFAOYSA-N 404.264 1.536 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(C)(=O)=O)ccc1N 1630377274 KKDQHZGXIMXLBW-UHFFFAOYSA-N 400.504 1.748 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CC1 1631261296 BERBBAXSUNEHOU-GOSISDBHSA-N 419.522 1.533 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCCN(c3ccccc3C#N)CC2)[C@H]1c1cccnc1 1632425618 VRLAGQPXUWEPNI-YADHBBJMSA-N 419.485 1.590 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CCC(C)(C)C)C(N)=O)s1 1635255550 ROGANICIEUAXIP-CYBMUJFWSA-N 401.554 1.551 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2nc[nH]c2[C@H]1c1ccccc1)c1cc[nH]n1 1635382216 LHHMJBZVRIIGOI-HXUWFJFHSA-N 422.445 1.591 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2nnc(S)n2C2CC2)n1 1636543212 FIQXIECDRUCPPR-UHFFFAOYSA-N 403.512 1.132 30 10 HDEE CON1CCC(N(C)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1637472852 BCFIXAHJRZWJRS-QGZVFWFLSA-N 422.551 1.624 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1ccc(I)cc1-n1cnnn1 1637571224 PHTKAKCOWMGLLC-SNVBAGLBSA-N 413.219 1.181 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1638491092 HWOKTJSSRIAGCC-NXNVCVFFSA-N 424.494 1.751 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(O[C@@H]3CC(=O)N3)c2)cc1 1639033811 NOIWAKTWZBHXTP-GOSISDBHSA-N 401.444 1.628 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1=O 1639962701 PNXKEJOAMTUINI-LJQANCHMSA-N 406.442 1.247 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CCCN(CC(F)(F)F)C3=O)C2=O)cc1 1639973911 PRBMRHAAFHRYKD-CVEARBPZSA-N 422.407 1.576 30 10 HDEE CC(C)c1ncc2c(n1)CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1642050792 LRGVEBPBKFCQPD-AWEZNQCLSA-N 413.503 1.723 30 10 HDEE C#CCN(CC(=O)N[C@@](C)(C(=O)OC)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C 1642252272 FXMBWGDQPAVXDS-HXUWFJFHSA-N 419.434 1.970 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)c1 1642277597 YWCJTQRVODUXCL-HNNXBMFYSA-N 403.446 1.188 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3ccccc3C[C@H]2C(N)=O)s1 1644161332 QWJFXRDGBGXBID-INIZCTEOSA-N 419.528 1.194 30 10 HDEE C=CCC1(O)CCN(C(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)CC1 1645772054 NKULFZLYBXGQKR-ZDUSSCGKSA-N 401.916 1.722 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)C(C)(C)O 1647955577 FVFUCEIFRZRWRE-QGZVFWFLSA-N 402.495 1.871 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@H](Cc4nccs4)C3)CC2)o1 1648366241 HTFXCEMFPRJDEG-MRXNPFEDSA-N 414.535 1.915 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1651134918 XRUISKWHNMCKIL-GOSISDBHSA-N 407.474 1.875 30 10 HDEE C#C[C@H]1COCCN1CC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2)NC(=O)N1 1654691086 DONXQTQMXSOQGF-YJBOKZPZSA-N 403.866 1.845 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H](c3ncc(Br)cn3)C2)CC1 1654777580 DVHSMSBDZAJIGM-OAHLLOKOSA-N 406.328 1.196 30 10 HDEE CC(=O)c1cn(C2CN(S(=O)(=O)c3ccc(C#N)c(Br)c3)C2)nn1 1664732828 LFWBRMGQYUEVQI-UHFFFAOYSA-N 410.253 1.360 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)nn1 1682167163 VETQDSISUYPANC-UHFFFAOYSA-N 414.466 1.149 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682293824 XBNVWMMAIZXJTR-UHOSZYNNSA-N 405.470 1.486 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC(C)(C)C(=O)N3CCCC3)CC2)c1C#N 1684462879 JMBGPAUPOBVALR-UHFFFAOYSA-N 404.540 1.803 30 10 HDEE Cn1cc(CNC(=O)N2CCC(Oc3ccc(C#N)cc3F)CC2)c(O)nc1=O 1684856255 PXNAUPZXOLZULQ-UHFFFAOYSA-N 401.398 1.250 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Br)cc2)n1C[C@@]1(O)CCOC1 1689973905 UWWXVOMEKQGONB-SFHVURJKSA-N 421.295 1.840 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(COC)cc2)CC1 1690120044 DHSWMXLJIYRDKG-UHFFFAOYSA-N 405.506 1.629 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CC)CCOCC2)CC1 1690122269 MGZVWWVNFAXUMF-KRWDZBQOSA-N 400.527 1.191 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@H](N2CCCC2=O)C1 1690666593 AEJCSNWELOMMMK-INIZCTEOSA-N 424.505 1.457 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1690672275 NHQVLJVNPLVVIL-QGZVFWFLSA-N 401.515 1.189 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1695438685 NQPMXLMTIADRLX-OAQYLSRUSA-N 407.478 1.059 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705519988 DXONXRXPKQUDCL-INIZCTEOSA-N 413.482 1.473 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1705550737 VIMJHYZWNWPUOZ-UHFFFAOYSA-N 405.462 1.059 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705560889 OETZGGKVMCUGOK-KRWDZBQOSA-N 407.584 1.688 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H](C)N1CCOCC1 1705578096 GDTQRQHPBJWGGS-QGZVFWFLSA-N 407.474 1.467 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705578656 AYBACMOOGZQNKE-QGZVFWFLSA-N 418.423 1.676 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)c1nc(C)cs1 1705627464 HPPANCRLLXSBCM-DZGCQCFKSA-N 402.524 1.884 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)CC)CC1 1705651440 WUVLTYHRXCNVTJ-UHFFFAOYSA-N 414.554 1.803 30 10 HDEE C=CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705809197 KGVMOFIAHNJCAH-APWZRJJASA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1705900228 VGUICOIUEGUDHU-UHFFFAOYSA-N 415.498 1.633 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)N2CCOCC2)C1 1705922514 NXOPPJLOMWXWRN-QGZVFWFLSA-N 412.494 1.289 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1706077178 GLFYTPWGLNIXBN-MRXNPFEDSA-N 403.531 1.107 30 10 HDEE CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1706646836 SYDUWAKKNFKTMK-SQNIBIBYSA-N 421.505 1.497 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1706751769 UEYRVNLHJUYPSK-LZJOCLMNSA-N 416.526 1.867 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCSCC2)cs1 1707761280 LXGKSGTZWPSPAV-INIZCTEOSA-N 419.580 1.411 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1OC 1711750903 JYVTWVGZCODRRJ-CQSZACIVSA-N 422.445 1.787 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1722290468 FZBRIBUURSFJNW-KKUMJFAQSA-N 404.515 1.848 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1722317390 FLYKDQUATMLZTP-QZTJIDSGSA-N 414.510 1.303 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1nc(C)no1 1722347138 ZXDUKPMPZHFMDF-UHFFFAOYSA-N 414.491 1.742 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722365247 DFAAPKDIMGUQPM-OALUTQOASA-N 421.611 1.978 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1722403274 XWDSFMZJINTHHQ-CQSZACIVSA-N 408.528 1.645 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)OC 1722423613 JWYAUWZQOJCEHK-UHFFFAOYSA-N 410.482 1.432 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cccn3C)n2CC2(C)COC2)n1 1722428547 XGWZXSGOJBIHRD-UHFFFAOYSA-N 423.521 1.803 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCOc2ncccc2F)CC1 1722442089 XYWGBGONVOHADP-QGZVFWFLSA-N 400.458 1.498 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(C)(C)O)cc1 1722446692 ITDDPHRDQVMZLQ-SFHVURJKSA-N 411.506 1.591 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1722459580 NMLOXCALTJVZJK-INIZCTEOSA-N 406.556 1.390 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)(C)C)CC1 1722536183 SGKNJLPJYCKXAN-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1COC(C)(C)OC1 1722618371 QAYKJKHMOOEHQR-INIZCTEOSA-N 412.556 1.982 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1722627826 OJQXQICKBUQZLT-KRWDZBQOSA-N 414.514 1.330 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1722999180 KJCZFFCFQVLRNO-LSDHHAIUSA-N 406.487 1.426 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCOCC1 1723186908 MFWIMKRJYSEVGD-LJQANCHMSA-N 401.559 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1740550764 JQNVGJUEQSOYQA-XPIZARPCSA-N 414.531 1.472 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1740550923 RYYUOGGHGLZDBI-RHSMWYFYSA-N 404.492 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740641980 IOASTGICWRHNDO-QGZVFWFLSA-N 417.560 1.285 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1740653087 ZICSPHYFTVLBKT-RTBURBONSA-N 409.538 1.641 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1[C@@H]1C[C@H]1CF 1740680541 FXDSAONRMIWDTP-DOTOQJQBSA-N 406.483 1.965 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc4cccnc34)n2CCOCCOC)CC1 1740693582 DDQHIBVGUNNZRG-UHFFFAOYSA-N 420.517 1.912 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H]2COCCO2)CC1 1740697714 DKAWNSXEGGPOKE-GOSISDBHSA-N 416.551 1.195 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)CN2CCOCC2)CC1 1740701808 CVZCDLLKGIYRKG-SFHVURJKSA-N 416.570 1.336 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(Cn2ccnn2)CC1 1740716193 UNVQSLFAZVCRJC-UHFFFAOYSA-N 409.523 1.610 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740954635 QAPQSSBIZVVJSW-SFHVURJKSA-N 416.489 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](CCC)C1 1740992456 QLXPYGDNZMFQOD-SJORKVTESA-N 412.556 1.778 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C1CCCCC1)N(C)C 1741678466 FJKXVUNKEWYETK-MSOLQXFVSA-N 417.558 1.656 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1742679173 VLJIUBQHEZVGPR-VXPUYCOJSA-N 424.509 1.655 30 10 HDEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1745686393 HEBYYGMBUINYEA-ZWKOTPCHSA-N 420.583 1.652 30 10 HDEE CCN(CC)[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1746058693 FPONBULROLCTCY-GJZGRUSLSA-N 411.576 1.359 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCN(CC(F)(F)F)C1 1748638715 UVZQTVXANCNFJN-KGLIPLIRSA-N 400.449 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1748665195 OQPQVSVAQAJMMA-LHSJRXKWSA-N 424.530 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1748690548 USLUKARFDFGBAZ-JYJNAYRXSA-N 412.556 1.673 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@H]1COCCO1 1748784377 LVQKZNLRYVMKFY-HNNXBMFYSA-N 418.523 1.113 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748824707 RSFZQLLRIQSUGO-GJYPPUQNSA-N 412.556 1.238 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1748963161 ZJBJPYHTSHAJER-XSLAGTTESA-N 406.552 1.702 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ncc(CC)s2)CC1 1748971724 ZSIRMYCCCRIXIX-UHFFFAOYSA-N 415.567 1.433 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CCOCC2)CC1 1749001638 YHWHVIIVBAFKOX-OALUTQOASA-N 403.527 1.184 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)NC)CC1 1749131456 SIRFSCNMDRSDCM-ZACQAIPSSA-N 404.515 1.225 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)CC(F)(F)F)CC1 1749303257 GQCQJQMAUITDMT-CQSZACIVSA-N 421.489 1.831 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1749309769 MFLLWSLQMJYKCK-IBGZPJMESA-N 416.570 1.914 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(CCS(C)(=O)=O)C1CC1 1749364608 UWYBJIXHWWQKTL-OAHLLOKOSA-N 409.556 1.845 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1749424205 DLYDENDKLBMPBM-UHFFFAOYSA-N 421.505 1.827 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749489411 VLXBYGAWBTWXFG-KURKYZTESA-N 423.583 1.999 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1749745234 WZSSNLBYRXRJDN-UHFFFAOYSA-N 403.556 1.886 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1750029600 DEVQSYDMUWIKTI-UHFFFAOYSA-N 411.510 1.694 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCCC(=O)NC2CC2)c1 1750380922 CDWOIOISFCAGNF-UHFFFAOYSA-N 421.505 1.577 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cc(F)ccc2F)CCO1 1750386130 HQGBCFWJSLGOMX-IUODEOHRSA-N 423.445 1.235 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1cccs1 1751241517 GUFAEJAMGSYVGJ-KUHUBIRLSA-N 400.508 1.938 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1760188231 NWAYKCZUFHKPQY-QGZVFWFLSA-N 402.524 1.263 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NCC 1760197075 WIGWQMGKDNQQRE-NRFANRHFSA-N 401.511 1.165 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NCC 1760197076 WIGWQMGKDNQQRE-OAQYLSRUSA-N 401.511 1.165 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCN(C)C1 1760246377 PQYFKJOCGHHVMW-FQEVSTJZSA-N 403.914 1.751 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnnn1C 1760248530 BDRPXIOZYDZMFJ-SFHVURJKSA-N 409.450 1.053 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@]2(OC)CCOC2)CC1 1760264873 HFIBIDWXVKDGSD-OAQYLSRUSA-N 403.527 1.347 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)OC)C1 1760336091 UUAFXZDLODNFOE-DLTWYDFYSA-N 403.483 1.210 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1760381561 QWXKHSCHJBAAOX-UHFFFAOYSA-N 403.575 1.599 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760467809 WFLSLVNJNQMEJL-INIZCTEOSA-N 414.485 1.506 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCCCC[C@@H]21 1760527427 WSBHFSIMXVTWOW-SJORKVTESA-N 400.527 1.862 30 10 HDEE C[C@H]1CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1762924268 ACXOOZJGDINIBC-HNNXBMFYSA-N 403.508 1.867 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C(C)C 1766409123 QGQCSTZPDBVJDT-KRWDZBQOSA-N 403.531 1.153 30 10 HDEE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1766683837 HTJXXGVRGJRPFU-MAUKXSAKSA-N 412.535 1.354 30 10 HDEE CCOCc1nnc(N2CC[C@@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1767829859 VSYOPXMAAPXXOY-RAJOGRCSSA-N 400.483 1.577 30 10 HDEE CN(C)C(=O)CCCn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1768440503 NKHSTYNKMHKVIN-UHFFFAOYSA-N 422.537 1.692 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NC(C)C 1769842758 ZFIAGGMDUYKARH-UHFFFAOYSA-N 405.890 1.885 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1Cc1nc(C)cs1 1769846608 AEYNQJDOBLIUAD-UHFFFAOYSA-N 403.512 1.580 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(Cc3ccc(Cl)cc3)C2)NC1=O 1851227677 JYWUDQRMVRTAFR-LBPRGKRZSA-N 402.838 1.009 30 10 HDEE CC(C)N(CC#CCNC(=O)[C@H]1CC(=O)CN1C(=O)c1ccc(F)cc1)C(C)C 1851411099 ATTDIYHNGUYMDS-HXUWFJFHSA-N 401.482 1.848 30 10 HDEE N#Cc1ccc(C(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cn1 1851621015 PTZKRCNCTZTRDE-UHFFFAOYSA-N 400.460 1.117 30 10 HDEE O=C(C1CN(c2ncc(Cl)cn2)C1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852061098 OZGDHVFRFNOKDZ-UHFFFAOYSA-N 411.793 1.437 30 10 HDEE Cc1nc(C(=O)N2CC[C@@]3(C2)C(=O)N(C)C(=O)N3C)c(C#N)c(C)c1Br 1852421894 OGTWWMODDSUZOL-QGZVFWFLSA-N 420.267 1.441 30 10 HDEE COCCN1C[C@H](C(=O)N(C(=S)N=CN(C)C)c2ccc(OC)cc2)CC1=O 1852483792 BXRKRGQBIQHAMZ-CQSZACIVSA-N 406.508 1.398 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)cc1F 1852617427 JAUCBOGHSLSPGV-FQEVSTJZSA-N 415.490 1.655 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2=O)CC1 1853739215 OKFZHPYGYSXOTC-GOSISDBHSA-N 411.568 1.608 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccc(OCC)cc3)C(=O)C2)C1 1853915719 BLTLOVKDHOBKBA-ZWKOTPCHSA-N 401.507 1.784 30 10 HDEE Cc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3)CC2=O)cc1C#N 1853977104 JIPWUAKONZQNKD-UHFFFAOYSA-N 404.470 1.810 30 10 HDEE CC(C)N1CC[C@@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C23CCCC3)C1=O 1854038374 PMBGLPITUXQKDP-GOSISDBHSA-N 409.490 1.560 30 10 HDEE Cc1cc(C(=O)N2CCCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)nn1C 1854903390 DPCQHZLBZGFCCA-GOSISDBHSA-N 408.462 1.280 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1855034031 QGNMVWOEIFGLLX-HNNXBMFYSA-N 403.914 1.839 30 10 HDEE C[C@H](C(=O)N1C[C@H](C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O)n1cncn1 1855747633 VJAGMYFDHKOBHX-OXQOHEQNSA-N 406.490 1.998 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)CCN1CCC#N 1856189335 MAGLJCRSJSOAEY-LBPRGKRZSA-N 401.467 1.845 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(C)c(C)c3)C2)CC1=O 1856791937 LNNHLNDQXRWQER-CVEARBPZSA-N 408.476 1.186 30 10 HDEE Cc1cc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)nn1C(C)C 1857113370 QXDKKVIRXFNXFB-GOSISDBHSA-N 408.462 1.543 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858311988 GSFNOWZEERNREL-LSDHHAIUSA-N 408.380 1.442 30 10 HDEE N#Cc1ccc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 1882514209 AMGLAQJUXGUWEY-QGZVFWFLSA-N 420.418 1.992 30 10 HDEE Cc1cc(C(=O)Nc2nc(C(=O)N3CCN(c4ncccc4C#N)CC3)co2)no1 1891212380 MJZBVSGJSXWIBT-UHFFFAOYSA-N 407.390 1.452 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 1963329240 DUYOVTOHXWBJMZ-QGZVFWFLSA-N 400.460 1.985 30 10 HDEE C[S@](=O)C1CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)C1 2005016791 VFCUFLYYLLBXMV-QHCPKHFHSA-N 401.135 1.710 30 10 HDEE N#Cc1cccc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074667748 VBKBREGNRWWJIY-INIZCTEOSA-N 403.416 1.248 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)C1 2118172839 YRWAELMOGHEPEN-QGZVFWFLSA-N 424.498 1.807 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)CC1(F)F 2174786341 IXQPTPKWYUTSMZ-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N2CC(CNC(=O)C(F)(F)F)C2)OC1(C)C 2243416026 ATYGNVRNCJNYDB-UHFFFAOYSA-N 418.246 1.798 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243674535 KPWFJINAZDATJK-GHMZBOCLSA-N 424.332 1.359 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)C[C@@H](O)C1 2247286414 JXLINSONVJXZKM-MRXNPFEDSA-N 419.331 1.799 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248404327 LUGURZQBGGREMV-ZDUSSCGKSA-N 421.303 1.859 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(C#N)c1)NC(=O)OCc1ccccc1 2270503446 FBISQRAINBEIDL-QGZVFWFLSA-N 417.443 1.768 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282019882 ROMGYMDQTXGMNH-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@]2(C)CO)sc1B1OC(C)(C)C(C)(C)O1 2282320560 KDLVOFNRQZMOMZ-QGZVFWFLSA-N 401.359 1.891 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@]2(C)C(F)F)OC1(C)C 2282494111 WVEHVDFSAJOXNK-BMIGLBTASA-N 408.301 1.905 30 10 HDEE C[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282495289 KJDPBPNMNAAWDP-RISCZKNCSA-N 401.721 1.783 30 10 HDEE CC(C)[C@@H](O)[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282497905 WOUBLMYVNASUKL-GXTWGEPZSA-N 403.375 1.872 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@](C)(O)CO3)c(Cl)c2)OC1(C)C 2282501838 CHGWVTTWWLXRBD-INIZCTEOSA-N 403.693 1.326 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282610377 VXMFLHAUTGHIGH-LLVKDONJSA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@]3(CO)CCCO3)sc2Cl)OC1(C)C 2282617168 ICAJNMNLHPQWRZ-KRWDZBQOSA-N 401.721 1.972 30 10 HDEE CCS(=O)(=O)N(C)CCNC(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633962 GBBGFSRRTALIPV-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE COC1CC(CO)(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2282661525 OKAZLOGDMWLLML-UHFFFAOYSA-N 401.721 1.970 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2282663129 KWNGNWVPARIDHL-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@](C)(CN)C1 2282824379 BFCKFNUUCAJEDV-QGZVFWFLSA-N 400.375 1.715 30 10 HDEE CCN([C@@H](C)COC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835786 BJLQBOVZEPAZIF-LBPRGKRZSA-N 404.363 1.629 30 10 HDEE C[C@H](O)[C@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282846872 QDPDTFDSWPIGNJ-SUHUHFCYSA-N 401.721 1.687 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282869859 JIOWUMVQYQSCOJ-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE C[C@@H]1C[C@@H](N)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876013 WZQDIEIWJFZKKX-OCCSQVGLSA-N 400.375 1.689 30 10 HDEE C=C(CS(=O)(=O)N1CCC(CS(C)(=O)=O)CC1)B1OC(C)(C)C(C)(C)O1 2282882810 RAMVPWYYPDTJMB-UHFFFAOYSA-N 407.363 1.260 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCO[C@@H](CF)C2)OC1(C)C 2282887564 FMJFYRXXWBJRDT-ZDUSSCGKSA-N 405.322 1.547 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](C(=O)O)C(F)(F)F)c2)OC1(C)C 2284404881 CHIXFDRONCQRKN-SECBINFHSA-N 415.220 1.341 30 10 HDEE CN(C)S(=O)(=O)C1CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2364868056 MBLVMWRDGMVPJU-UHFFFAOYSA-N 401.725 1.114 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(C1)CC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365172482 ZUQSXFDASGJIHH-FTXHTYHOSA-N 400.541 1.292 30 10 HDEE COC1([C@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC(C)(C)S(C)(=O)=O)CCCC1 2365200482 YTFYOFNTHLUEEL-HUUCEWRRSA-N 402.557 1.993 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2365214187 YEJMWYDQAQJMNX-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](C[C@H]1CCCO1)NC(=O)OC(C)(C)C 2367795403 DSTPVUAIHUVCIP-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2367817502 NANYWFLSEDCLNH-SPYBWZPUSA-N 400.541 1.163 30 10 HDEE CO[C@H](C#C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369630338 AZFNFFZGLFCRGT-BRWVUGGUSA-N 401.525 1.494 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CCC[C@@H](O)[C@@H]1C(F)(F)F)C(F)(F)F 2370262989 AGHYUADPDLHSLH-HCVRKRLWSA-N 404.229 1.900 30 10 HDEE Cc1ccc(NS(=O)(=O)CS(C)(=O)=O)c(F)c1B1OC(C)(C)C(C)(C)O1 2381221780 AFGLTBMYDCCRPG-UHFFFAOYSA-N 407.294 1.177 30 10 HDEE CCOC(=O)Cc1ccc(N2CC(=O)C(c3nc4ccccc4c(=O)[nH]3)=C2N)cc1 6907884 GDLDXXKCLMVSPG-UHFFFAOYSA-N 404.426 1.745 30 10 HDEE C=CCNC(=O)N1CCc2nc(N3CCC(C)CC3)nc(N3CCOCC3)c2C1 37580554 IUGGCHNVDYULKP-UHFFFAOYSA-N 400.527 1.803 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)CC(C)C)C(=O)OC 435951810 XURHOGAHUZNKKO-RBUKOAKNSA-N 402.491 1.846 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc3ccccc3c2O)CC1 437002419 MUKSSVOTSDIYLR-IBGZPJMESA-N 420.469 1.734 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(-n3cc(C)cn3)c(F)c2)CC1 438331667 OVONDZCJRKXRRT-UHFFFAOYSA-N 400.458 1.772 30 10 HDEE N#Cc1cccc(-c2csc(NC(=O)C(=O)N3CCSC[C@@H]3CCO)n2)c1 442113358 RKBNCTYLLWPHIO-AWEZNQCLSA-N 402.501 1.947 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCc1ncn(Cc2cccc(F)c2)n1 444278188 BVWROSWJKMEJIM-UHFFFAOYSA-N 401.423 1.824 30 10 HDEE Cn1cc([C@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 446475000 JKEQCVFOSMDTAD-HOTGVXAUSA-N 420.395 1.995 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 463373875 YNVVBXARMGIHMN-UHFFFAOYSA-N 411.487 1.909 30 10 HDEE CCOC(=O)CC1(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCC1 468829285 FJZFDVBPYOTKJM-AWEZNQCLSA-N 407.492 1.607 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 472854394 SDZLEWWUUCSUNB-JKSUJKDBSA-N 417.477 1.910 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccc(OC)cc3)c2CC)CC1 473642975 NMMYJDXQZASCLQ-UHFFFAOYSA-N 411.506 1.503 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)c2sccc2S(=O)(=O)NCc2ccco2)C1 479903515 QAKKBCYYVYJWPJ-AWEZNQCLSA-N 422.532 1.785 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@H](c2ccsc2)C1 482804403 ZTVSEZNGGLMFFP-CXAGYDPISA-N 405.501 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc(-c3ccc4c(c3)OCO4)s2)CC1 484879792 NUUAAQAPLRRHBT-UHFFFAOYSA-N 414.487 1.599 30 10 HDEE Cc1nc(Cn2nnc(C(=O)NC3(C#N)CCN(Cc4ccccc4)CC3)c2C)no1 486114727 IHPRPWYWKGNJPK-UHFFFAOYSA-N 420.477 1.614 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 487341131 WOTKQZVJXBYIMM-ZJUUUORDSA-N 421.397 1.312 30 10 HDEE C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503616900 WSBZMOYBVHEKRH-MRXNPFEDSA-N 418.519 1.448 30 10 HDEE CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 508670118 KWZPPBCIABPLKQ-CZUORRHYSA-N 412.450 1.986 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 508748261 QMVOKZFEWCJLIT-HOTGVXAUSA-N 417.514 1.586 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2c(C)n[nH]c2n1 511117106 VLZDZRJCBVRNIB-UHFFFAOYSA-N 424.486 1.593 30 10 HDEE COc1cc(C)cc(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 511375150 BQGSUMSLIYEUPP-UHFFFAOYSA-N 406.486 1.836 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3F)CC2)cc1 522193382 PJBKLYZOTAJQML-UHFFFAOYSA-N 417.462 1.924 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)CC2)nc1 541522806 YAVOKMRQUDWLKH-GOSISDBHSA-N 405.462 1.375 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCO[C@H](c3ccc(F)cc3)C2)CC1 546047560 RPYIGYLRXYEVFV-MOPGFXCFSA-N 404.486 1.675 30 10 HDEE N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 549394841 WUJPOLRESZYPEZ-CZUORRHYSA-N 423.416 1.782 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4cnccc4C#N)CC3)c2C)nn1 561428915 HCSQHIAKOBWAPR-UHFFFAOYSA-N 418.461 1.599 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCn2cccn2)CC1 577664105 CTVDANOPTYTFON-UHFFFAOYSA-N 400.531 1.400 30 10 HDEE C[C@@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(O)nc(=O)n2C 585158439 LGGQTEKJJQFWSF-NKXMEUTISA-N 421.255 1.425 30 10 HDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C(=O)NCc1ccc(C#N)cc1F 586864195 NNWXYHWSLUHWJS-QGZVFWFLSA-N 423.492 1.640 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CC1 589296759 KDAMZJMRWPVPGH-UHFFFAOYSA-N 402.524 1.273 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cc(OC)c(OC)cc2F)CC1 604204042 HOBVXLILZGQIPX-AWEZNQCLSA-N 408.474 1.533 30 10 HDEE CCc1c(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)cnc2c1c(=O)n(C)c(=O)n2C 618730836 HZOBTJTVQOYGBC-QGZVFWFLSA-N 403.442 1.484 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 727416437 PHMXEHYWKDIEIS-UHFFFAOYSA-N 407.495 1.970 30 10 HDEE COCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)CCC2 730140215 UZHLSWRUOMWDCZ-GOSISDBHSA-N 418.563 1.821 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)C[C@@H]3CCS(=O)(=O)C3)ccc2c1=O 740846257 GAAAMEONWMYLNZ-LBPRGKRZSA-N 407.517 1.378 30 10 HDEE C[C@H](OC(=O)[C@@H](NC(=O)C1CC1)[C@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745744388 GRVRKVJFTJHLGY-YHAQOWFVSA-N 405.476 1.254 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCn1ccnn1 753146811 DNRAEEWJKFFAAC-UHFFFAOYSA-N 404.496 1.084 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)CCN1C1CC1 758456997 XYLDPBPLAARFOJ-QGZVFWFLSA-N 400.504 1.273 30 10 HDEE Cc1ccc(CNC(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(O[C@@H]2CCOC2)c1 758753185 DJFVSBGLVNPZNQ-ZBBYCGENSA-N 414.462 1.488 30 10 HDEE C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H](O)c1ccc(Cl)cc1 769557806 ODLFTPONDLRCJI-NHYWBVRUSA-N 407.879 1.617 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 770654992 JIMGAJAAMIPLKW-QZTJIDSGSA-N 404.488 1.294 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](CN2CCCCCC2)C1)c1cc[nH]n1 772208370 YLYUMRNYQHTYDI-QGZVFWFLSA-N 419.526 1.808 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1Oc1ccccc1 776137390 FVJJZEWSADAEKM-UCCVJGSHSA-N 414.462 1.437 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 781351147 BLMIVJASYJLWJH-YWMAMYRUSA-N 406.483 1.809 30 10 HDEE C=CCN(C(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 783571500 FIVOVRZGMJJRMU-CYBMUJFWSA-N 424.523 1.518 30 10 HDEE C[C@@H](C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1)n1cnc(C#N)n1 791121349 TWUCEJYRPIMXEI-FKIZINRSSA-N 407.434 1.252 30 10 HDEE O=C1N=C(NN=C2CCCc3c(Br)cc(Br)cc32)NC1=O 794526048 LXOCMXAUUYAGOF-UHFFFAOYSA-N 414.057 1.854 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCN(CC(F)(F)F)C(=O)C2)c1=S 795732401 WCKUCGPETBTNKU-UHFFFAOYSA-N 413.429 1.721 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCC(CNS(C)(=O)=O)CC2)cc1 796253311 GZUORTFYAMCREQ-QGZVFWFLSA-N 406.552 1.891 30 10 HDEE C[C@@H]1OCC[C@@H]1N(CCO)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 797615760 DHUGEURZPHUBTI-WOLBXUKWSA-N 424.523 1.503 30 10 HDEE C#CCN(C(=O)NCC(C)(C)Oc1cc(F)cc(F)c1)[C@H]1CCS(=O)(=O)C1 807420738 NZEDGUWOXNLOMS-HNNXBMFYSA-N 400.447 1.954 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)oc(C)c2C(=O)OC)n1 809838908 DTSJPDJLNWAVKJ-UHFFFAOYSA-N 409.464 1.350 30 10 HDEE C#CCN(c1nnc(COc2ccc(OC)cc2)n1CC)[C@H]1CCS(=O)(=O)C1 812043524 VPWYWBBOAGYIKZ-HNNXBMFYSA-N 404.492 1.512 30 10 HDEE COc1ccc(NC(=O)[C@H](C#N)C(=O)Cc2nn(C)c(=O)c3ccccc23)cc1OC 916934300 FJSHJFMJMTVGPM-MRXNPFEDSA-N 420.425 1.841 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc(NC(C)=O)cc2)ccc1OCC(=O)O 1084220017 QDZOULQFOQYTAR-UHFFFAOYSA-N 421.431 1.429 30 10 HDEE CN(C)c1ccc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1 1084496914 KIFHACPXBRNVEI-UHFFFAOYSA-N 403.497 1.899 30 10 HDEE CN(C)C(=O)O[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1129095276 FSZUUMJIIOFQJK-ZFWWWQNUSA-N 404.854 1.864 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1cccc(Cl)c1 1134429040 MBKKEYDZZDTJCZ-YVEFUNNKSA-N 405.867 1.240 30 10 HDEE CCC(=O)N1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1137513921 OVHWXYKBEJVQQU-WZHMAMEKSA-N 404.511 1.900 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1c1cccn1C 1138134908 CVTUBQUYGVLKBG-RDTXWAMCSA-N 402.476 1.164 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H]3CCN(S(C)(=O)=O)C3)n[nH]2)c1C 1150969318 XSOLSFUCWHOIFH-AWEZNQCLSA-N 406.512 1.087 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC 1151573842 LZLINPXOMZXWER-DOMZBBRYSA-N 413.883 1.416 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C1 1154866264 IPAANPCMJCMNBV-UHFFFAOYSA-N 403.298 1.462 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCc1nc2c(s1)COCC2 1157374325 CXEOTPVDTKECFU-LBPRGKRZSA-N 420.516 1.113 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](O)C(F)(F)C2)C1 1165777591 CZHLGASYGHDGML-CQSZACIVSA-N 400.223 1.985 30 10 HDEE CC(C)CCNC(=O)C1CCN(C(=O)CN2CCc3c(sc(N)c3C#N)C2)CC1 1198414551 WRBPEVUQAVQEGV-UHFFFAOYSA-N 417.579 1.961 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)OC 1212415335 BBBGAHKUKVLHBT-UHFFFAOYSA-N 412.420 1.347 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2C(=O)N[C@@H](CC)C2=O)c1)[C@@H]1CCS(=O)(=O)C1 1218747139 KCWJHYPUIGUXJV-CVEARBPZSA-N 418.475 1.176 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1235201399 BZRVWUOPBRJIPY-JONQDZQNSA-N 424.498 1.411 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286354794 WABTXCLXPJBKQP-KRWDZBQOSA-N 412.519 1.553 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389700 OUPGWIRSHYRDMI-HZPDHXFCSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(C)(=O)=O 1286427866 ODVFDDMBWOQJCQ-GOSISDBHSA-N 414.487 1.298 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2nc(C)cc2C)CC1 1286478559 BLKYIABJTKNLOX-HXUWFJFHSA-N 411.554 1.831 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCn2ccnn2)CC1 1286484670 UTKJGPYIPXYYFP-UHFFFAOYSA-N 424.484 1.433 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@@](=O)CC)CC1 1286485454 MIZCOERPCXCCLT-WJXXOHKWSA-N 421.611 1.721 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286490098 HBFYXEQBPWNBDZ-RBUKOAKNSA-N 415.538 1.563 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1286593193 DZHQLYABPXWKNG-GJZGRUSLSA-N 420.514 1.535 30 10 HDEE C=C(C)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286598472 LPJGBCXDCBVYIA-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2(=O)=O)CC1 1286649324 VIYYSJKRSQQTSX-MRXNPFEDSA-N 407.540 1.524 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@H](C)C1 1286711543 MMPMFNYZFCUVMJ-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1NC(=O)CC1(C)C 1286758429 NFNNSCJBWQIBIF-LSDHHAIUSA-N 407.540 1.273 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1286784401 GNTQWYWCSRZYAN-CJNGLKHVSA-N 414.897 1.616 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OC 1287782421 UREYVAJLFQMUTL-MSOLQXFVSA-N 408.520 1.852 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1288201018 BAITWKYDGXHIET-KXBFYZLASA-N 422.555 1.225 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CCCN(CC(F)(F)F)C1=O 1295048902 XUMGSZVUOIBGNW-OLZOCXBDSA-N 410.400 1.186 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1298920360 BCXAIEAGDVOPSQ-CYBMUJFWSA-N 403.874 1.494 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)[C@H](c1ccccc1)c1nc[nH]n1 1299112389 AOJXNZPVGKLLFX-RDTXWAMCSA-N 424.486 1.591 30 10 HDEE C#Cc1cccc(CNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1299356807 XCMGRXAQIRRBHI-UHFFFAOYSA-N 400.456 1.424 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1300274708 YQFWUQKKZXYLPG-JYJNAYRXSA-N 417.535 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1300282432 OTQNVYFLFMHNCL-FUHWJXTLSA-N 406.490 1.770 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)c1 1300345635 NNGJDEFBSZXCID-CQSZACIVSA-N 408.466 1.761 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300400551 YNVTXEUKAPDXBR-AWEZNQCLSA-N 404.492 1.957 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(CO)c1)[C@@H]1CCS(=O)(=O)C1 1300485085 UDZREWHJZMMWQS-GOSISDBHSA-N 402.520 1.569 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1300538324 PBAILQLLFFGEDD-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1300635296 INBIKCLHTNLDEJ-LJQANCHMSA-N 403.508 1.535 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCCC1(C)C 1300654229 VONBBHBVLPGWPT-FGZHOGPDSA-N 420.554 1.957 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)[C@@H]1CC 1300766440 CQFIEWUVZYRBHY-HNNXBMFYSA-N 404.565 1.715 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C1CC1 1300786184 FDYPBIOJHWQESX-YADHBBJMSA-N 415.538 1.837 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)CC1 1300881333 NSNVNLARRUPWOH-MJGOQNOKSA-N 415.542 1.428 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1301225394 DPVPYFCOTTVILX-LJQANCHMSA-N 423.521 1.997 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCn2cnnn2)C1 1302979642 SGGZTMDSGLXWKB-MRXNPFEDSA-N 402.825 1.512 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC(=O)NCC(F)F 1304857785 CUVVNMFXVPNSIN-UHFFFAOYSA-N 403.437 1.162 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(=O)N2CCOCC2)CCO1 1305153953 HOTYZNICHWSPNU-INIZCTEOSA-N 410.478 1.291 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1305448649 IQDLEDQBKBSKKG-UFOSLELVSA-N 402.499 1.527 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H](O)CC3(C#N)CCOCC3)C2=O)c1 1307563921 FPYMTCJWGDWZNE-XLIONFOSSA-N 417.506 1.812 30 10 HDEE N#Cc1c(NC(=O)CCN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc2c1CCC2 1308101081 VSYIGGKTRZCCIJ-SGTLLEGYSA-N 404.517 1.307 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1Cc2ccccc2N(C(=O)C(F)(F)F)C1 1312354291 WHIAFBUIQRILCS-CYBMUJFWSA-N 419.425 1.407 30 10 HDEE COc1ccc(CNC(=O)NCCCc2ccc(S(N)(=O)=O)cc2)cc1C#N 1313213287 MWZXKHBRGLXLNE-UHFFFAOYSA-N 402.476 1.646 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1358977377 LARYEDLTXSDFAK-UHFFFAOYSA-N 411.531 1.917 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(C(=O)NCC)CCC1 1358997631 ZJZNIIBWEHAZFO-UHFFFAOYSA-N 421.549 1.909 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1359005222 ZRGUOJAUXZAAMN-UHFFFAOYSA-N 418.519 1.353 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCSCC2)CC1 1359033363 ZLFXWYUUBGTAQG-UHFFFAOYSA-N 421.574 1.621 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1359055738 NYQAJTCSNFKLGJ-INIZCTEOSA-N 413.551 1.920 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](CCOC)C1 1359122098 XRUJHIMXKIMZDR-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1359149709 GROXYCJRNKHHAA-TZMCWYRMSA-N 420.905 1.556 30 10 HDEE Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cn1 1361263603 GIUMOPCYPZEJSC-MRXNPFEDSA-N 404.434 1.406 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)nn1 1436933304 YGDQYPWRTVIUPY-UHFFFAOYSA-N 417.535 1.798 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1ccnn1C 1437063344 BUAKKIDGDNSZRM-INIZCTEOSA-N 404.448 1.142 30 10 HDEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1438033039 QHFQEQNYORCSMG-HXUWFJFHSA-N 422.503 1.948 30 10 HDEE C[C@@H](CC(=O)NCc1c(C2CCC2)cnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1453164951 QAJFCGXHDKSPSL-ZDUSSCGKSA-N 415.519 1.821 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1455679695 AJBQEJUTRBTVQH-OAHLLOKOSA-N 414.911 1.023 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H](O)Cc3cccc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1456203661 CASQVMAPMDEEAV-LZWOXQAQSA-N 402.394 1.006 30 10 HDEE CN(CC(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)S(=O)(=O)c1ccccc1 1457027004 ALIUGENXMATFIZ-UHFFFAOYSA-N 410.459 1.457 30 10 HDEE COC(=O)[C@@]1(OC)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1461661281 HQKBRBPIEBLIHU-BFUOFWGJSA-N 405.838 1.355 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)c1 1462860996 NUEQFXYDJYYIKV-KRWDZBQOSA-N 421.519 1.589 30 10 HDEE CC(C)C[C@H](C#N)NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1464664555 AJPODVGSLIGAQS-KLHDSHLOSA-N 413.540 1.711 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](Cc1ccccn1)NC(=O)OC(C)(C)C)C(=O)OC 1467515131 FOXDPKQYUSVUCM-HZPDHXFCSA-N 407.467 1.378 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H](NC(=O)C#Cc3ccc4c(c3)OCO4)CO2)C1 1470030016 ITQTWMNQYDOSBM-OAHLLOKOSA-N 400.431 1.661 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ncc(Br)s1)c1cc[nH]n1 1471394112 MFDBRPMNBBVSNV-UHFFFAOYSA-N 416.257 1.229 30 10 HDEE O[C@H](CN1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C[C@]1(O)CCOC1 1473849265 ZXXVCROOJSOAOP-UKKRHICBSA-N 413.305 1.992 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCO[C@@H](c3ccnn3C)C2)n1 1478651197 KNWDTNVAYAPABF-QFBILLFUSA-N 400.483 1.328 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1493740410 NGZJUSFOZZLCFX-HNNXBMFYSA-N 402.524 1.992 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@](F)(C#N)C1 1502368100 AVTSCTSVTWAGGX-HXUWFJFHSA-N 421.521 1.801 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCC(CO)CC2)C1=O 1503673953 HVJCLWGKCQPJBU-JOCHJYFZSA-N 424.505 1.416 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nncn1C 1507662770 XANNVZJSCYYNMI-UHFFFAOYSA-N 411.473 1.975 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC(C)(C)C1 1507672503 DRIBVYKISRVKNU-UHFFFAOYSA-N 423.565 1.713 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1nc(C)cs1 1507679842 RRXHUHMBTYWNFC-TZMCWYRMSA-N 410.569 1.916 30 10 HDEE C=CC1CCN(c2nnc(-c3cccc(OC)c3)n2CCS(=O)(=O)NC)CC1 1507897761 LNIXJUNWWRXILE-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1507904558 YYADUJUNOOGIIS-HZPDHXFCSA-N 421.567 1.497 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1508003225 VBYNLPUMVXWQRB-UHFFFAOYSA-N 406.494 1.770 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1508078267 XOPWOWRDBFOVEQ-GOSISDBHSA-N 408.506 1.621 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1CC 1508092231 PBYJVLHHQYQXGC-AWEZNQCLSA-N 402.524 1.951 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(C)C)CC1 1508161897 NZSFMSSNLSCLSA-INIZCTEOSA-N 413.613 1.630 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccc(C(F)F)n1 1519326404 MVMWGGORGLHOAK-STQMWFEESA-N 423.424 1.507 30 10 HDEE C[C@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1532962727 AQBTUBCGOJUGGT-RDTXWAMCSA-N 412.490 1.609 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(F)c1 1533858963 INXQBDQSCSQVMY-UHFFFAOYSA-N 419.434 1.734 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1539167838 NJELGPSBOMNCNF-INIZCTEOSA-N 406.494 1.416 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1539201709 CDYIZRLHGQWNSG-DLBZAZTESA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCN(CC)S(C)(=O)=O 1539256633 CGRILGRGWGXITH-UHFFFAOYSA-N 400.508 1.085 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1539272230 VUJGHJQQBKGXNA-UHFFFAOYSA-N 422.508 1.245 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1539290363 GETUFMZKWMNKNA-GOSISDBHSA-N 421.505 1.109 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CC1(C(N)=O)CCOCC1 1539314966 ANJNNVLUMIDSME-UHFFFAOYSA-N 406.490 1.394 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1csc(CC)n1 1539392902 YNRWBLRXFYWYDN-UHFFFAOYSA-N 416.551 1.862 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1539445830 HWAQLOIMWQRQDS-HXUWFJFHSA-N 421.549 1.662 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2ncn(C)n2)CC1 1539461571 HTSBJPIIHNDVJA-UHFFFAOYSA-N 406.494 1.098 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCSC2)CC1 1539463191 WYMPFSDKNGQFMM-BZSNNMDCSA-N 405.568 1.510 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccc(C)c1 1540074438 YUPMIWSHCODHIF-KRWDZBQOSA-N 417.535 1.541 30 10 HDEE Cc1ccc(COCC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1540647908 NPPRNEXBMOZBML-UHFFFAOYSA-N 413.499 1.916 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C 1540862256 WQYIDRBYQPVYRU-CVEARBPZSA-N 419.574 1.418 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540873683 GIQYIFMRQCYZCI-MOPGFXCFSA-N 424.549 1.875 30 10 HDEE C[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1544232368 DPEXQYODHWSUPJ-HNNXBMFYSA-N 418.523 1.657 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1546274760 UOFMQICEWSRTOW-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1555362935 FBOZHYTVNLYXGV-MRXNPFEDSA-N 418.523 1.181 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CCO1 1555388551 HRRDDRLXBNAPHJ-IBGZPJMESA-N 424.505 1.727 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1555524944 LKFFTPZAUPPSMI-RBUKOAKNSA-N 423.521 1.110 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnn(C(C)(C)C)n3)C2)C1 1557285682 XKELCNKVPPBRQH-LQZXRHCMSA-N 417.514 1.831 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1557664596 HWUYSOOSADKHTO-NLWCEYPFSA-N 418.494 1.809 30 10 HDEE C#CCN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]([C@H]3CCCO3)C2)CC1 1557840679 PYQUSPAAGIGAMF-CEXWTWQISA-N 405.539 1.959 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1558110076 JBWCKYQUGJMMQT-MRXNPFEDSA-N 420.535 1.512 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC([C@H](C)C(=O)OCC)C2)s1 1558238107 CKQAZHBIPQYPOU-LBPRGKRZSA-N 400.522 1.413 30 10 HDEE C[C@@H](Oc1cccc(Br)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805656 SJDMGIVMVXWZNK-SNVBAGLBSA-N 419.235 1.434 30 10 HDEE C#CCn1ccc(CN(CC)CC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)n1 1559804243 FHMMBNJKTPOKOE-UHFFFAOYSA-N 412.446 1.550 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1565081599 VYFXHBHHNOVTHW-UHFFFAOYSA-N 407.536 1.784 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1569857767 UWKZEFMDUBLBNH-CQSZACIVSA-N 408.863 1.960 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C2CC2)C2(CO)CCOCC2)cc1 1570873218 FBARWFOIAUWZCP-GOSISDBHSA-N 408.520 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](/C=C\C(=O)NCCn2cc(C#N)c(O)nc2=O)C1 1585295796 MOCWQEDTRYOFMP-LMVHVUTASA-N 417.466 1.140 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1587702088 NQSYKRCLTYBJHP-SFHVURJKSA-N 402.543 1.378 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN([C@H](C)CC(=O)OC)CC2)c1 1587762840 DGKHCZOTGAMRCE-MRXNPFEDSA-N 406.504 1.193 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)CCC)CC1 1587855803 BLSSLNSMPLVROT-MRXNPFEDSA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1588059276 LCIIAXVMOPUGPD-MIALQEHNSA-N 406.552 1.408 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1588064440 IFFOEIOWDPLSMT-SFHVURJKSA-N 420.579 1.943 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)Cc2cccs2)CC1 1588805709 AKTHVZOYZYXPDS-AEFFLSMTSA-N 412.563 1.925 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2nccs2)CC1 1588923929 QPXPHQSNHAHDHD-UHFFFAOYSA-N 408.491 1.206 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(C)COCCO2)CC1 1594192796 MCAHXLFUBJEPRN-RDTXWAMCSA-N 413.544 1.096 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1594830636 ZQBIOGABZUOZBK-AWEZNQCLSA-N 416.448 1.399 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@]1(O)CCS(=O)(=O)C1 1594924092 ZKCICMLHCSCQIW-HXUWFJFHSA-N 413.503 1.665 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595522718 IWFBHYPNSYHGAG-IRXDYDNUSA-N 424.505 1.503 30 10 HDEE COC(=O)c1cnc(CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)s1 1596296442 PZMDIZONXLYEBM-UHFFFAOYSA-N 407.473 1.937 30 10 HDEE CC(C)[C@@H]1C[C@H]1n1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1596830886 GAQMEQUHGYNKMA-QXSJWSMHSA-N 410.544 1.424 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)C[C@H](O)C(Cl)(Cl)Cl)C1 1611243847 CJEBRUCSJYIVBS-GUBZILKMSA-N 400.690 1.983 30 10 HDEE Cc1csc2ncc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c(=O)n12 1611648727 HACYDYZLZLBKNB-UHFFFAOYSA-N 412.427 1.582 30 10 HDEE O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)[C@H]1CCCO1 1614175091 AGQLBYKLDDMWLY-JOGPMVINSA-N 424.500 1.191 30 10 HDEE CN1CCC(C#N)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1615088804 VAVISKTWKLOIGV-LFDOHDQPSA-N 401.511 1.877 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C[C@H](O)c3cccc(C#N)c3)CC2)cc1 1615934874 DXBXCMYDMMBFDP-QFIPXVFZSA-N 408.502 1.648 30 10 HDEE COCCSc1ccc([C@@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1616878146 LBKAISQUBITOBN-CYBMUJFWSA-N 402.476 1.827 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc3ccc(OC)cc3[nH]2)cc1 1617162944 OMOOEEVXJCNTIM-ZDUSSCGKSA-N 412.471 1.974 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](CC(=C)Cl)C(=O)OCC)c1 1622450415 QLQBATJZERLTLN-OAHLLOKOSA-N 400.884 1.955 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(N4CCCC4=O)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1627136486 JQPFNCPHYYHFSH-KPZWWZAWSA-N 407.879 1.477 30 10 HDEE Cn1cnc(CCCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1627479805 SMRGWCAJCLLHAO-UHFFFAOYSA-N 418.523 1.163 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)NC(C)C)cc1)C1CCOCC1 1628948834 GXSBEBXHIIFXRU-IBGZPJMESA-N 407.536 1.742 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1629541570 YUOUWWACINEFCK-MRXNPFEDSA-N 413.927 1.644 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)Nc1ccn(CCC#N)n1 1629645046 RXXWMJMTENJKGG-WVWOOGAGSA-N 409.368 1.721 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCS[C@@H]3COCC[C@H]32)s1 1630567150 KUHHCIYFJQSITI-ZIAGYGMSSA-N 402.563 1.488 30 10 HDEE C#CCN(C(=O)Cc1ccc(Br)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 1630829364 DOEGZTIPQDCUPO-GFCCVEGCSA-N 415.265 1.549 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2ccn(CC(N)=O)n2)C1 1630878313 DBLKLSCLMBVZEV-UHFFFAOYSA-N 403.240 1.077 30 10 HDEE C=CC1(CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 1634252890 ZHUDULXDDBBYIL-KBPBESRZSA-N 411.499 1.372 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)NCc3ccnc(C#N)c3)cnn2c1 1634631939 UWTNYPLGOMIEDG-UHFFFAOYSA-N 421.461 1.993 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@]3(c4ccccc4)CCC(=O)NC3)C2=O)cc1 1635700577 BBIWINHGMSNMIX-HYBUGGRVSA-N 416.481 1.623 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1636327955 RQKBTJNLORYVOL-HIRMHNASSA-N 403.527 1.999 30 10 HDEE C#CCCOc1ccc(C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1 1638887406 LDNSPQDQACIPSW-LJQANCHMSA-N 407.536 1.773 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](CN(C)C)c2ccc(Cl)cc2)C1=O 1640275648 WVXQJTKXGPZBHL-AWEZNQCLSA-N 406.870 1.078 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)C(C)(C)c2cc(F)cc(C#N)c2)CC1=O 1642000364 HJILHRUQUXPLEX-GOSISDBHSA-N 404.486 1.270 30 10 HDEE C#CC1(F)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3nc(O)[nH]c3c2)C1 1643706485 OASKDYUFOMKZAM-UHFFFAOYSA-N 414.418 1.867 30 10 HDEE C=CCNC(=O)NC(=O)Cn1cnc2c(I)cccc2c1=O 1644002167 RPJVOWOXFDLYPB-UHFFFAOYSA-N 412.187 1.013 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCN2CCc3ccccc32)s1 1644309088 FLURWTTZNCYRLI-UHFFFAOYSA-N 405.545 1.934 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(C)CCC3(CC2)OCCO3)cc1 1646123204 ZQXLKCVIKVMBBX-UHFFFAOYSA-N 406.504 1.651 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC([C@H](O)c3ccnn3C)CC2)c1 1646321683 JUMVEKBDDBHFPN-IBGZPJMESA-N 418.519 1.470 30 10 HDEE COC(=O)[C@@H](NCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(C)C 1648791932 ILTIKUJVPILHHJ-LPHOPBHVSA-N 400.479 1.205 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)c1 1651172997 NAMGAGDIZYRTLW-NRFANRHFSA-N 412.467 1.443 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN[C@H]2CCOC23CCOCC3)CC1 1656427434 YSKJYEWLNDLWDI-PMACEKPBSA-N 416.497 1.462 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3CC#N)CC2)c1 1659818105 FVYJYQVRIIBEAF-UHFFFAOYSA-N 413.499 1.837 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C 1660233619 MGQBKTCGFWHBBK-UHFFFAOYSA-N 422.507 1.161 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)C1 1663711997 GTUWXXOZOBLGHI-JYRCXFKTSA-N 405.524 1.620 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)OC)c1)[C@H]1CCCO1 1668796667 MJAWNOXBVNSDEK-ZIAGYGMSSA-N 401.872 1.824 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 1681597865 HZJMIEQKAJFOTB-UHFFFAOYSA-N 401.511 1.435 30 10 HDEE C#CC[C@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1681603935 BPJNAXZWWBGVFQ-GFCCVEGCSA-N 412.284 1.261 30 10 HDEE C#C[C@H](NC(=O)NCCNC(=O)c1ccc(Br)cc1)C1CCOCC1 1682943369 WRTYPAWYUSQLHD-INIZCTEOSA-N 408.296 1.907 30 10 HDEE C=CCn1cc(CNC(=O)NC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)nn1 1683314870 ASRBCFNEAOEBPK-OAHLLOKOSA-N 406.487 1.432 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(C)COCCO1 1690050879 FDQFVKFWKFCDLG-QHCPKHFHSA-N 418.501 1.785 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(OC)CCOC1 1690067386 YMCCHHDJMCJYJX-HXUWFJFHSA-N 408.466 1.186 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1690099867 OHGVRAJBDSPYIO-YLJYHZDGSA-N 400.483 1.103 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCN(CCC)C2)CC1 1690132190 KKQPHSGFUVZYMZ-NRFANRHFSA-N 424.597 1.627 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H](C)OC)CC1 1690136212 BIYGQGMRGKUXIE-HNNXBMFYSA-N 418.542 1.197 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690167419 HZTRHJIPLJCNOJ-OAHLLOKOSA-N 405.549 1.720 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(O)c2sccc2n1 1690668038 QJJNBLLNRSFQJP-UHFFFAOYSA-N 424.490 1.922 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCCCCO)CCN1C1CC1 1698493207 JNBYWHKIQLGZRD-HKUYNNGSSA-N 402.543 1.901 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705532626 PNDRDUNPEICJLT-QZTJIDSGSA-N 423.583 1.693 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCOCCCO 1705606393 QJMVRYAQPCGCOI-UHFFFAOYSA-N 410.316 1.905 30 10 HDEE C=CCC(C)(C)Cn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705790745 FLRCIDDLBMZKAK-UHFFFAOYSA-N 402.543 1.931 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1705872999 SOUVLMSVPPZAIT-UHFFFAOYSA-N 403.508 1.458 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cnc(C)s2)CC1 1705892536 NLFFHGKCHYNPSI-UHFFFAOYSA-N 401.540 1.674 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1706075572 PQDBGXNVHKJMSS-HYVNUMGLSA-N 414.485 1.861 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1708955153 OPORDVFUBGNSGM-HTAPYJJXSA-N 424.505 1.627 30 10 HDEE COCCN(CCC#N)c1nnc(C2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1712453845 BJOUXPXQZQJGBX-QGZVFWFLSA-N 424.571 1.726 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccco1 1712529817 CUVHBZMRNVYAJL-NIKGAXFTSA-N 407.446 1.945 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1712876692 SQMHRONUJVSPMJ-QAPCUYQASA-N 411.503 1.439 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722369686 DQMGOPDFJLSJQO-QZTJIDSGSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@@H]1OC 1722385015 XNIIJWZTQJIDMT-QMMLZNLJSA-N 422.485 1.915 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1COCCO1 1722426518 JYXVQDOTZISPFO-VQIMIIECSA-N 414.462 1.292 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC[C@H]1C)C1CC1 1722644115 NMALKGLZKJRHLP-MRXNPFEDSA-N 411.510 1.801 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@]1(N(C)C)CCSC1 1722677400 DBNXYNZYBKCQBA-LJQANCHMSA-N 405.572 1.755 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC2(CCCC2)C1 1722691017 NWQGHLVASBOKIY-OAHLLOKOSA-N 424.571 1.351 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1722709253 LQWHIKKEWCWMIW-HEWTWTGNSA-N 414.510 1.883 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1722740707 RLGLCKYESGSZRS-INIZCTEOSA-N 409.556 1.734 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCC1(O)CCC1 1723925952 BAFOJQUFRYVQOI-CQSZACIVSA-N 410.544 1.323 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1CCn1cncn1 1729375667 FOSGFXJXAHNIBQ-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE CO[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1729834856 CMZWPRWYSALUNZ-AWEZNQCLSA-N 405.462 1.834 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C(N)=O)nc1 1730931769 BMKPIXBHXUSTQL-KMFMINBZSA-N 413.482 1.140 30 10 HDEE CS(=O)(=O)CCn1c(Cc2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1731007876 BFFFBNBSIAUJMN-OAHLLOKOSA-N 414.491 1.124 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccccc3F)nnc2N2CCS(=O)(=O)CC2)o1 1731184617 QKMLIBLICMLDLH-UHFFFAOYSA-N 415.450 1.756 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccccc1)N1CCOCC1 1740550731 RCXOEGKDSKYROC-YSIASYRMSA-N 422.533 1.761 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1740639608 DJYIWINCHOTEFM-MRXNPFEDSA-N 416.478 1.449 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1740640934 ZUOAKFTYYABAFX-MRXNPFEDSA-N 417.560 1.569 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(OC)nc1 1740646684 IEZINHDXIXQQEU-JOCHJYFZSA-N 409.490 1.845 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1740729346 DNVNUHXWMIHVQP-YSGRDPCXSA-N 402.568 1.659 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1740900655 VUQNUJLGVHBVEK-QAETUUGQSA-N 409.556 1.669 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H]1CC 1740959345 SJGKRTNZGVCYGH-HIFRSBDPSA-N 400.483 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](CC)N2CCCC2)C1 1740979857 LRWWEHJZVCKOAX-KURKYZTESA-N 402.543 1.885 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CC2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1741132394 HSSQYKZLPUFDNY-AWEZNQCLSA-N 402.524 1.717 30 10 HDEE CC(C)(C)OCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1741238857 XMYWPMHTIGKFQQ-KRWDZBQOSA-N 415.542 1.506 30 10 HDEE CC[C@H](C)[C@@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1)OC 1743535116 GZIDRQCPLGDLIK-BMGDILEWSA-N 401.515 1.930 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)C1 1745696633 UHRZTOZUTMUDIK-VJANTYMQSA-N 418.542 1.463 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCSC1 1748665197 OQPQVSVAQAJMMA-SPLOXXLWSA-N 424.530 1.518 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCCC2=O)C1 1748765514 JZLYAAILUKRJTP-SCTDSRPQSA-N 401.511 1.617 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748814361 DSQWLJIPYKKYNI-APWZRJJASA-N 420.560 1.751 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1749032952 VVMWGRWXXZXRRX-UHFFFAOYSA-N 411.535 1.597 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CCCC 1749067359 RFHCIULWOIBLKV-YLJYHZDGSA-N 407.584 1.904 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1749627117 DLTSTOLUVZQVBU-WOJBJXKFSA-N 418.586 1.589 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CC[C@H](CO)O1 1749828128 UMTUTOUKMNTBQE-JKSUJKDBSA-N 420.901 1.900 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1750070704 UULWIPDPKGTLPY-QLFBSQMISA-N 423.477 1.730 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCCCO)C2CC2)o1 1750383441 ULINLCSDJRWLAE-CQSZACIVSA-N 419.507 1.434 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CC2(CCOCC2)C1 1750970525 UBSSGYBJMHFZDP-MRXNPFEDSA-N 402.499 1.352 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)CN2CCOCC2)n1 1751837776 FXEULHVVKMYGPH-IRXDYDNUSA-N 414.558 1.704 30 10 HDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1752249785 LAOLELSTRACGNB-YOEHRIQHSA-N 423.477 1.563 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1760095559 RUXAZNOTNOYWPM-HOCLYGCPSA-N 414.485 1.358 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(OC)CCOC1 1760166091 PWTURJYIQHFQAF-QGZVFWFLSA-N 408.300 1.921 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760184217 HABYQNHPARSTIH-RCCFBDPRSA-N 413.478 1.974 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cnn(C)c1 1760204498 RRIXMOGKNFBJRU-HXUWFJFHSA-N 414.517 1.739 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC#C)CC1 1760279430 DCPJKDDIAWVSJH-UHFFFAOYSA-N 412.519 1.127 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(S(C)(=O)=O)CC1 1760345088 GNZJKQIJNSUVMX-UHFFFAOYSA-N 407.496 1.595 30 10 HDEE C=CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760427795 IPFLQJFCMFVOOZ-GOSISDBHSA-N 416.570 1.929 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1760511845 KXGYTVAZICGRJU-OAQYLSRUSA-N 417.517 1.799 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1C 1760521196 MDWOVDFBNLGOPD-MRXNPFEDSA-N 412.494 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCO[C@@H]2CCOC2)C1 1760544940 KIKAVYLIOWKFDU-QZTJIDSGSA-N 402.499 1.656 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCS[C@H](C)[C@@H]1C 1760553486 DMQGCYUCUCWUQH-UONOGXRCSA-N 408.553 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](CCC)C1 1760553571 FLMUSUZTCYNQLO-OAHLLOKOSA-N 406.512 1.341 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1760678091 ZWDOPZDOAHZEIZ-IBGZPJMESA-N 421.505 1.544 30 10 HDEE CCOCCC1(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CCC1 1766502319 YMEMMYDLZVJAHF-MRXNPFEDSA-N 404.515 1.742 30 10 HDEE CCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1766584605 CSNULVYEACZFHI-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C)(C#N)CC1 1766717072 LLWLFOUDCYAGQK-INIZCTEOSA-N 424.571 1.979 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)C(C)(C)C1 1767815388 KAMITKCCUZQCSK-KRWDZBQOSA-N 412.494 1.726 30 10 HDEE CN(C)C(=O)CC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1768435040 VOTJYHJIWQCDEB-UHFFFAOYSA-N 422.493 1.886 30 10 HDEE CN(C)CCN1CCC(Cn2c(-c3ccccc3)nnc2N2CCO[C@H](C#N)C2)CC1 1768513856 CQEAWAFMWPAXTA-OAQYLSRUSA-N 423.565 1.947 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)F)cc1 1770043073 GSUPOYSTVCGGHX-SFHVURJKSA-N 408.384 1.777 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(C)=O)cc1OC 1770043075 GSZZUVZWSMPZPB-HXUWFJFHSA-N 416.457 1.930 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H](C)SC 1770215682 PBMMCUWOEXTVMJ-ONIAQPFYSA-N 420.583 1.930 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)c2cc(I)ccn2)C1 1849833569 NYHIJWTVVJHQIS-UHFFFAOYSA-N 406.183 1.856 30 10 HDEE COC(=O)C1CCN(C(=O)CCC(=O)Nc2ncc(C#N)cc2Br)CC1 1851713291 GCEPWFSKTJHRSD-UHFFFAOYSA-N 423.267 1.846 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1=O 1853681939 FNDHILIBISORHJ-OALUTQOASA-N 407.474 1.480 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854033155 SZTKYRLZIPRBCR-GOSISDBHSA-N 418.519 1.181 30 10 HDEE Cc1ccc(CS(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)cc1 1854652017 ZVEOLCWUQISTJS-KRWDZBQOSA-N 405.476 1.798 30 10 HDEE COc1nc(C)c(Cl)c(C)c1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855005494 CTALORLINNCMCE-HNNXBMFYSA-N 419.913 1.633 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(CCc3ccnn3C)c3ccccc32)CC1=O 1855451267 IGYQIQPCRKAROY-MRXNPFEDSA-N 407.474 1.377 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)cc1 1856171888 NLGOVELDLRTQQU-GOSISDBHSA-N 417.531 1.770 30 10 HDEE COCC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)CC1 1856518969 SGNRTTMSHPXXAY-UHFFFAOYSA-N 405.476 1.453 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)C1=O 1856543615 YLZHHZGFYBFGPA-AWEZNQCLSA-N 401.467 1.845 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2nc3ccccc3o2)C1)[C@@H]1CCN(C)C1=O 1857063141 XFSMGHPQHULJFL-NVXWUHKLSA-N 410.474 1.925 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)C2CC3(CC(=O)C3)C2)C1)[C@H]1CCN(C)C1=O 1857074516 KQECUUMNNPFINY-QAPCUYQASA-N 401.507 1.230 30 10 HDEE C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@H]1CCN(C)C1=O 1857248163 KYASCBKTGRWAQY-LIRRHRJNSA-N 403.442 1.956 30 10 HDEE N#Cc1c(NC(=O)COc2cn(CCO)c(C(=O)O)cc2=O)sc2c1CCCC2 1857882608 CZWMZBKOEDIXLK-UHFFFAOYSA-N 417.443 1.368 30 10 HDEE COc1ccc(N([C@H]2CCS(=O)(=O)C2)S(=O)(=O)c2ccccc2C#N)cc1 1858195786 VDUCCWBMYZBYAG-INIZCTEOSA-N 406.485 1.949 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858335913 PHTDZBZBCJYYEO-KRWDZBQOSA-N 419.528 1.917 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccc(NS(C)(=O)=O)cc1 1861536128 IPVGNUXVIJADQB-GOSISDBHSA-N 417.487 1.407 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1C(=O)O 1862558988 FDDPQEVCRNSKBW-GOSISDBHSA-N 423.425 1.681 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)[C@@H]2C1 1880978896 UUVVJIMEVLCZMZ-ZNMIVQPWSA-N 402.403 1.623 30 10 HDEE C[C@H](C(=O)N(C)C1CN(c2nccnc2C#N)C1)n1nc(-c2cccs2)ccc1=O 1891743172 VTVPNVFRLVGXGB-CYBMUJFWSA-N 421.486 1.542 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCc2ccc(S(N)(=O)=O)s2)C1 1892685171 WRIYCAPSQDOZPB-UHFFFAOYSA-N 401.510 1.625 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3[C@H](C2)[C@@H]3B2OC(C)(C)C(C)(C)O2)CC(O)C1 2018047349 NLKRVGHXALQOJE-OOTHTRLJSA-N 422.331 1.955 30 10 HDEE CN(Cc1ncn(C)n1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2121854439 LNEFKMBXEYUTRA-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782046 LZDQKUYFXTTYFV-LSDHHAIUSA-N 401.529 1.920 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)S(=O)(=O)N1CCCC1 2186597219 KTQPFUHTNGIREY-LBPRGKRZSA-N 401.363 1.776 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC[C@H](O)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186631449 ROZCJABMGTZDJS-NEPJUHHUSA-N 402.347 1.009 30 10 HDEE C#CC[C@@H](C)CNS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2196815049 WTCKKBJXLBHWQR-SECBINFHSA-N 407.229 1.927 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2199855652 LVSHQPKHCKGSQA-LIRRHRJNSA-N 400.541 1.893 30 10 HDEE C#CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 2203913660 XQSYWSKBUIEEGT-IFXJQAMLSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@@H](C(=O)NCB3OC(C)(C)C(C)(C)O3)O[C@@H]2C1 2242812945 NXBARCJWOANGLA-MJBXVCDLSA-N 412.292 1.137 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2243370850 TUOCMKRDOUJEAH-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247817266 LKUHKQYUMISVDU-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838375 HCJUUCKGIQZVJT-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NCc2nccn2Cc2ccccc2)OC1(C)C 2247917408 JLMOHYYFEILMNV-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)C1 2248572416 PJTSGFPYGHAHNE-UHFFFAOYSA-N 423.294 1.914 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2250000352 HZUNGLWSPBOOPR-HOTGVXAUSA-N 420.315 1.712 30 10 HDEE CO[C@H]1CN(C)C[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939796 HPCXUUPUWJDISO-NEPJUHHUSA-N 400.737 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H]2CCCCN2)OC1(C)C 2282333092 KLTCCGNAJMPYDZ-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE CN([C@@H]1CCCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282492790 QNFUXBIVXDOAOU-CQSZACIVSA-N 401.359 1.988 30 10 HDEE C[C@@H](O)[C@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282502878 QVDXPHLHDAZDTA-TZMCWYRMSA-N 401.359 1.722 30 10 HDEE COC[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282503192 WEWSEVFZKMZDMJ-ZDUSSCGKSA-N 401.359 1.845 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](OCCN)C3)sc2Cl)OC1(C)C 2282618831 OYEYGZQMGIQVOH-NSHDSACASA-N 400.737 1.891 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282624701 NNUMYUOAQRTOFI-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CS[C@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834101 PEWUAIZRYQGLHY-NEPJUHHUSA-N 419.399 1.764 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC(F)(F)CN)OC1(C)C 2282836454 KIQHJDZXTXBENL-UHFFFAOYSA-N 410.679 1.512 30 10 HDEE CC[C@@H](CSC)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282853797 JGDMBZISTMFXNC-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1C(=O)O 2284408015 RLDSJTJSJWGZJD-JQWIXIFHSA-N 401.315 1.389 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC23COCC(C2)C3)OC1(C)C 2288828515 IHWRJMPJEUXNNX-UHFFFAOYSA-N 400.331 1.041 30 10 HDEE CN([C@H]1CNCC1(C)C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2289913629 MCIULRCZNMHLAM-ZDUSSCGKSA-N 400.375 1.666 30 10 HDEE C#CCn1ncc(NC[C@@H](CNC(=O)OC(C)(C)C)OC)c(Br)c1=O 2317674156 GFHYJUXCROUDSF-NSHDSACASA-N 415.288 1.591 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CSCCN1C(=O)OC(C)(C)C 2342051053 JNULBSSCNZXXAB-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)[C@H]1C(C)(C)C 2365171715 NKKMMKKUDKCMKL-AUUYWEPGSA-N 401.525 1.779 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC[C@@H]1N(C)C(=O)OC(C)(C)C 2365195319 APOKGCNOGRJXGC-OAGGEKHMSA-N 402.557 1.673 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2365195853 GFEBIZDCWXREBQ-HZPDHXFCSA-N 402.557 1.673 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367795897 GQMSCWRUVMSRLW-ACJLOTCBSA-N 401.481 1.436 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796571 QMWRARCLMOTAEZ-KBPBESRZSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367796986 KQRLGXTZTZTAEC-KBPBESRZSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CC1(C)C 2367809676 PISFUAYAPFKSKT-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE Cc1csc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)n1 20806467 HZUJJLBSJXYRIO-UBKPWBPPSA-N 404.481 1.639 30 10 HDEE O=C(CN1CCN(C/C(O)=N/c2nc(-c3ccco3)cs2)CC1)N1CCOCC1 51825193 MSSYKEKDKQRKJX-UHFFFAOYSA-N 419.507 1.468 30 10 HDEE CCNC(=O)CCSc1n[nH]c(N/N=C/c2cc(OC)c(OC)c(OC)c2)n1 59830920 VCJMJXSONYSBPR-VXLYETTFSA-N 408.484 1.895 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c([N+](=O)[O-])c1 105550108 UUGXYIJVTWHHBJ-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE COc1ccc(OC)c(/C=N/Nc2nnc(SCC(=O)N3CCN(C)CC3)[nH]2)c1 253563460 FLLPFKCYBZOKRK-YBFXNURJSA-N 419.511 1.134 30 10 HDEE Cn1c(N2CCN(Cc3ccc(Br)cc3)CC2)c(C#N)c(=O)n(C)c1=O 301727592 VXVXLJVQXRGRNP-UHFFFAOYSA-N 418.295 1.040 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 426243675 LEDLMMGIAVQLCI-IBGZPJMESA-N 410.478 1.645 30 10 HDEE COc1cc(N2CCN(Cc3cn(CCC#N)nc3-c3ccncc3)CC2)ncn1 434985991 LSLYCZLBIIYEFU-UHFFFAOYSA-N 404.478 1.980 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)c(Cl)c1 438953982 CFILDLQPENSBPT-KBXIAJHMSA-N 412.851 1.325 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCSC[C@@H]2CCO)n1 442094497 RWYPBKMJNMCXBL-AWEZNQCLSA-N 419.894 1.662 30 10 HDEE N#Cc1cccnc1OC1CCC(NS(=O)(=O)c2cccc(C(N)=O)c2)CC1 445725018 PBURCXUTXULZAF-UHFFFAOYSA-N 400.460 1.721 30 10 HDEE COCCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 447206536 AGROIGJDKHSFBA-PCODUJHASA-N 405.520 1.889 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)CC1 480417124 IVAHOHMZHISPSU-CYBMUJFWSA-N 415.460 1.612 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(c3n[nH]c(CC)n3)CC2)c1 480776518 RVHMNIWJIPFTQQ-UHFFFAOYSA-N 403.508 1.851 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C#N)cc1F)CC2 481033704 FBAWVIXQEWOHCF-UHFFFAOYSA-N 423.491 1.840 30 10 HDEE C=CCCC[C@H](C)NC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 487815950 IOKRKQVGXTXKIN-HNNXBMFYSA-N 405.520 1.451 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCC[C@@H](C(=O)N3CCOCC3)C2)c(OC)c1 505581788 MKRBQQNPFAKWNN-WOJBJXKFSA-N 418.534 1.734 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2C)CC1 508429444 UMUPGQIHBVYDGA-SFHVURJKSA-N 412.538 1.996 30 10 HDEE CCN1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1cc(F)c(F)c(F)c1 543893552 ZFFPDDFVXDBXON-GOEBONIOSA-N 407.396 1.620 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c1 548369926 FVSCYHXCTSZFAN-UHFFFAOYSA-N 423.426 1.153 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccc3c(c2)OCO3)C(=O)O)ccc1Cl 548536483 FDQDYMWWYFKGPE-CQSZACIVSA-N 408.819 1.915 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 549214335 QSXFBSUXEDKIIQ-UHFFFAOYSA-N 400.527 1.929 30 10 HDEE C#CCn1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c2ccccc2c1=O 585171086 ZMLXOSMYXIESAH-HNNXBMFYSA-N 418.428 1.838 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)cc1 603592367 OFBNBOSJBCEIEN-UHFFFAOYSA-N 415.475 1.294 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](N4CCNC4=O)C3)n2C[C@@H]2CCCO2)cc1 619853264 VRXZVDDAEXWKCC-OALUTQOASA-N 421.505 1.990 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C#N 726577824 PXAQVMAEXIRVPB-CQSZACIVSA-N 417.494 1.622 30 10 HDEE N#Cc1cccnc1N1CCN(CN2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1 726584797 HVFTXTSRRSAKKZ-UHFFFAOYSA-N 421.417 1.410 30 10 HDEE C#CCN(C(=O)C[C@@H](C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 729333638 ZZOCFTVGKDLVGX-UKRRQHHQSA-N 401.481 1.027 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729671364 HTQKLIGHVKVFDP-UHFFFAOYSA-N 423.542 1.633 30 10 HDEE C#CCN(C(=O)c1nnn(-c2cccc3cnccc23)c1C)[C@H]1CCS(=O)(=O)C1 731186806 UIGVRQUNNWFZJM-INIZCTEOSA-N 409.471 1.386 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)Nc2cnccn2)S/C1=N\CCc1ccccn1 733202983 ZTVYLNQRWHIFSP-GFDWPABASA-N 408.487 1.766 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)ccc1OC 733276460 CYOWZPIXQGJQBF-GQSKFBFOSA-N 412.446 1.103 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1ccccc1F)[C@@H]1CCS(=O)(=O)C1 741784373 JQFDNEAGCKIYJP-OAHLLOKOSA-N 404.467 1.381 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C(C)(C)C)c2)c1=O 748064634 WMLKKFVQZNJOOF-UHFFFAOYSA-N 414.531 1.380 30 10 HDEE C#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(OC)cn3)cc2)cn1 756689679 MNUNRMYWFVXKSS-UHFFFAOYSA-N 409.427 1.915 30 10 HDEE C[C@](O)(CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472230 VXRHJKBJXBLPNX-QHCPKHFHSA-N 422.437 1.480 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccccc2F)C1 760300902 KNTIHKDLXMOMOX-SWLSCSKDSA-N 421.498 1.697 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)C(=O)c4cc5c(cc43)OCCO5)CC2)n1 760551515 MUZWJAIVZITIIN-UHFFFAOYSA-N 405.414 1.033 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)cc1 765965080 CKDDLHFTQLXPEU-NXHRZFHOSA-N 411.487 1.991 30 10 HDEE C#CC[C@H](OC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccn1 771595258 LINNJZBNKKUCRG-KRWDZBQOSA-N 403.416 1.966 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)c2nccn2C)C1=O 771636009 HQGNBBPTALDFAT-ZSEKCTLFSA-N 423.429 1.096 30 10 HDEE C#CCN(C(=O)Nc1cccc(CN2CCCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774037545 INPFJMQMKJRJHH-GOSISDBHSA-N 403.504 1.853 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN3C(=O)OCC[C@@H]3C2)CC1 776012427 ZFJKELBJUBOBJF-MOPGFXCFSA-N 415.469 1.061 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)n1 788813551 MTAGGMFTIBWZIY-UHFFFAOYSA-N 416.503 1.246 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(=O)(=O)NCC)ccc2F)n1 790109345 XHNXNDQVWWROAD-UHFFFAOYSA-N 422.482 1.242 30 10 HDEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 806737483 SVVYCRTXLQNJBK-OAHLLOKOSA-N 422.507 1.319 30 10 HDEE C#CCN(C(=O)Cn1c(S)nnc1-c1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 918756329 RCHHAPJQZSCGOW-HNNXBMFYSA-N 404.517 1.191 30 10 HDEE COc1ccc(CNC(=O)CSc2nnc(NN=Cc3ccccc3)n2N)cc1 1083930895 BMDTXHHNKQDJEM-UHFFFAOYSA-N 411.491 1.855 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C 1124239468 NGHNKJHFRNPCHG-SFHVURJKSA-N 409.508 1.425 30 10 HDEE C#C[C@H](NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C)c1ccc(Cl)cc1F 1129615592 CACSLEQXFQTHRO-SZMVWBNQSA-N 418.856 1.992 30 10 HDEE C#CCN(CC(=O)NCc1cccc(OCC(=O)N(C)C)c1)C(=O)OC(C)(C)C 1136297115 IXCZMXFTJFWDOF-UHFFFAOYSA-N 403.479 1.640 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)cc1 1142298175 BAGCGNXAWUXSEO-OALUTQOASA-N 407.474 1.869 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC)nc1)c1ccc(Br)cc1 1159634256 KUOWRZFEWUPVHA-CQSZACIVSA-N 408.277 1.857 30 10 HDEE O=C(CCc1nc(-c2ccccn2)no1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161796950 HFGHVKWIQMXVBP-UHFFFAOYSA-N 421.413 1.968 30 10 HDEE Cn1cc(C[C@H](CO)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1162342198 FWYZEGOIRCJTIL-HUUCEWRRSA-N 401.854 1.018 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[S@@](=O)C[C@H]2c2cnn(CC)c2)c1 1193964882 UZZOYYDKDKGCPI-RBSBEOHCSA-N 413.503 1.338 30 10 HDEE N#Cc1cn(CCNC(=O)NCC2(c3ccc(Cl)cc3)CCC2)c(=O)nc1O 1221713008 DSPSEDIOKGFCLP-UHFFFAOYSA-N 401.854 1.895 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1225936888 GPLXGUWPTWPJBJ-GCSSGZNBSA-N 421.498 1.664 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3ccccc3C#N)CC1)CCO2 1255313169 MKYAZFNNVFGVHL-WUZYXKQASA-N 412.490 1.891 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1COCCO1 1286280209 UWYVRYCUUNYNRD-GDBMZVCRSA-N 404.492 1.222 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286294390 WGNWMVJMXZIRFV-YOEHRIQHSA-N 415.519 1.280 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C[S@@](C)=O)cc1 1286358961 OVRGSYINFCQINP-SSEXGKCCSA-N 422.514 1.922 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1ccn(C)n1 1286459691 GDUVNRNAYOEEDX-UHFFFAOYSA-N 409.450 1.916 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2F)CC1 1286480227 SPFAPVGDZWBGJL-KRWDZBQOSA-N 400.433 1.311 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286500920 HJIXXHFIQKUKFF-QGZVFWFLSA-N 420.560 1.943 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286560879 JYJINUNILQWHAI-JZXOWHBKSA-N 419.551 1.888 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1286614324 ORKWRMFUCAXJSW-LAUBAEHRSA-N 421.542 1.580 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286645699 GGCXNDUWTCENME-QZTJIDSGSA-N 403.527 1.823 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286790051 BJUILQQSKZWSJJ-CQSZACIVSA-N 403.487 1.438 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)cc1 1286796012 HINHSYDVSHGTDJ-FUHWJXTLSA-N 424.505 1.544 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1cc(Br)cnc1C1CC1 1293032239 KQILMAITFKYANL-ICFOKQHNSA-N 405.252 1.978 30 10 HDEE COC[C@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CN(C(=O)OC(C)(C)C)CCO1 1297057419 LXRWYQWJXKWUHQ-FQEVSTJZSA-N 423.466 1.074 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCCOCC3)CC2)cc1 1299032905 NECBWAFTWOSTBK-UHFFFAOYSA-N 420.535 1.205 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1300282373 HPNDKAZODDHYPK-AWEZNQCLSA-N 424.548 1.241 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1CC(=O)NCc1ccco1 1300475384 IEVQGIRXDBKWRY-UHFFFAOYSA-N 409.446 1.845 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1300537331 DWFFGPJVGHYLCG-MRXNPFEDSA-N 414.487 1.016 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCSC(C)C)CC1 1300686236 YQQJSYVRMPKOFM-HXUWFJFHSA-N 407.584 1.827 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@H](S(C)(=O)=O)C1 1300765776 KSPURDNBUAVCTJ-INIZCTEOSA-N 422.551 1.998 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)n1 1304749674 IGEVFPCQSAHLQG-UHFFFAOYSA-N 401.515 1.669 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3[S@](=O)C(F)(F)F)C2)c(=O)nc1O 1305589209 DQYFJAOQYJLSKY-NDEPHWFRSA-N 412.349 1.145 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@H](Cc3ccccc3)c3ncco3)C[C@H]1CS(=O)(=O)C2 1312922763 IVZQGGCHDCCSOM-FCEWJHQRSA-N 400.460 1.538 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1316258410 XXGRNSMIJBIREE-RBUKOAKNSA-N 424.505 1.585 30 10 HDEE COC(=O)[C@@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)o1)c1ccc(C#N)cc1 1329334455 ZIJYPVMOWVAOHL-DOMZBBRYSA-N 407.473 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCS(C)(=O)=O 1358881937 PPSYBGZPRFIMIP-CQSZACIVSA-N 420.491 1.193 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1358912457 RKQHVGMTDGVKJB-KRWDZBQOSA-N 423.583 1.836 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)OCCCO2 1358977255 IHJBCWBEILIUHV-QGZVFWFLSA-N 405.458 1.512 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@]2(O)CCSC2)CC1 1359040274 NYWFQYFRIBVYQN-FQEVSTJZSA-N 405.568 1.409 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(=O)OCC)C1 1359048189 IGSADPQLCULCSM-HNNXBMFYSA-N 422.555 1.498 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359057406 YUGNOILSQUXLJE-NVXWUHKLSA-N 402.524 1.460 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnn(C)n1 1359067516 QPHAKFUCKUEGRH-OAQYLSRUSA-N 422.493 1.916 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1359135550 HLXFNFFKTIDUEE-UHFFFAOYSA-N 413.526 1.949 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN(CC(F)F)CC1 1359294037 INNMZQZLOLUPTM-UHFFFAOYSA-N 420.464 1.643 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(F)F)CC1 1359296577 NNWKERGQFHURAJ-UHFFFAOYSA-N 420.464 1.643 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)C1CC1 1359472113 FUNYMUOCHMBLDP-JLCFBVMHSA-N 421.505 1.949 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)n2)c1 1438195410 AQOORCDJEWXALX-FQEVSTJZSA-N 402.458 1.770 30 10 HDEE C#CCN(C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1)[C@H]1CCOc2ccc(Br)cc21 1444118265 HCIFJDSGPUIOBS-BVIKNXMNSA-N 422.275 1.147 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1457197428 FRRPKLGSSUXOSO-FNORWQNLSA-N 408.414 1.491 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)[C@@H]1CCCO1 1463554901 CBGMTIQMNCMLCZ-STQMWFEESA-N 402.266 1.695 30 10 HDEE CCOC(=O)c1n[nH]c([C@@H](C)NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1469993951 PCNARXVAWQBKFQ-CYBMUJFWSA-N 419.482 1.809 30 10 HDEE C=CCn1cc(CNC(=O)N(CCO)Cc2ccc(Br)s2)nn1 1470584130 KEYYVMBUTNVNKL-UHFFFAOYSA-N 400.302 1.992 30 10 HDEE C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1470704700 QPDZEFHVQSQZQH-FQEVSTJZSA-N 404.463 1.722 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(=O)OC 1471123653 GSOYJLTTYHXULH-RDJZCZTQSA-N 410.492 1.382 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)OCCN2C(=O)CNC(=O)c1ccc(C#N)cc1 1472397031 GMSLSVUIRMOOBJ-UHFFFAOYSA-N 400.435 1.094 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618358 QTYWMAQPKWVSJF-UHFFFAOYSA-N 410.386 1.353 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)n1 1479467762 QZIQXZXOIKFGSE-MRXNPFEDSA-N 407.471 1.225 30 10 HDEE COC[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1504572236 LKYOEJDYUBGQAT-KSFYIVLOSA-N 424.505 1.728 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@]1(O)CCO[C@@H]1C 1507714711 STKYGOCLBVGWBI-XMSQKQJNSA-N 414.506 1.791 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNS(=O)(=O)CC)CC1 1507886918 IYUREDOHNBSBHK-UHFFFAOYSA-N 407.544 1.235 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507951941 KCJVQYJGXRNVOQ-IBGZPJMESA-N 416.570 1.915 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NC(C)C)C1 1508112731 BXVIEEMCXQMNNE-OXJNMPFZSA-N 407.515 1.236 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@@H](C)CC#N 1515288273 BCOUZAQNDNONCD-AWEZNQCLSA-N 408.470 1.137 30 10 HDEE CCN(CC)C(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1515491939 NBMRXDVQHCFLKN-UHFFFAOYSA-N 423.521 1.925 30 10 HDEE CN1CCN(CCn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1(C)C 1517420539 FSKWTIIQLSJOMO-LJQANCHMSA-N 424.553 1.019 30 10 HDEE COc1cc(C#N)ccc1C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 1530944120 FROQOVWZRZCZLS-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3(S(C)(=O)=O)CCCCC3)cc2C1=O 1532807197 IHMTXFUMAWNRID-UHFFFAOYSA-N 404.488 1.946 30 10 HDEE COC1(C(=O)N[C@H](C#N)c2ccc(OCc3ccccc3)cc2)CS(=O)(=O)C1 1535748083 AWNKEBFXJGXKDF-GOSISDBHSA-N 400.456 1.760 30 10 HDEE C[C@@]1(CC(=O)Oc2ccc(C#N)cc2I)CCS(=O)(=O)N1 1538616261 PIXMXCFMYBYRBE-ZDUSSCGKSA-N 420.228 1.540 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC(C)C)n2Cc2nncn2C)c1 1539041990 ANUXKZOPTFEERI-UHFFFAOYSA-N 406.494 1.710 30 10 HDEE C#CCCCn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1539141666 XEFORXZJZZUWPV-YADHBBJMSA-N 417.554 1.645 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1539230020 BAIGKLXYNZIVMV-IAGOWNOFSA-N 418.523 1.021 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1539317985 KPKNAOQFBUHURU-KRWDZBQOSA-N 405.462 1.094 30 10 HDEE C#CCN(CCOC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC=C 1539401253 YIOQFIIPBJHLBE-UHFFFAOYSA-N 402.524 1.819 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1541699811 HUJWKCSUTQIRFM-UHFFFAOYSA-N 419.493 1.391 30 10 HDEE C#CCOc1ccc(CNC(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)cc1 1543708539 JWXKDBBRWAKTEN-UHFFFAOYSA-N 403.438 1.387 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C/CN2CCOCC2)c1 1544409342 NPFOXPBDFWXVFI-MMXLTOCUSA-N 406.508 1.326 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1546580657 ZELUKSIWVKXHPZ-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE CC/C=C\Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1546794215 UFLOYJZSZLEBSK-MIGHCRNESA-N 422.555 1.707 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CO)CC3)n2Cc2ccc(C#N)o2)CCOC1 1547894059 QAGVAGYTYOQJBC-FQEVSTJZSA-N 401.467 1.652 30 10 HDEE CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCO[C@](C)(C#N)C1 1558602003 BSSCQWULMURSKW-CRAIPNDOSA-N 406.464 1.587 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnn(Cc4ccccc4Cl)c3)C2)c(=O)nc1O 1558805076 DHEJAFXBAYKEHM-UHFFFAOYSA-N 410.821 1.416 30 10 HDEE C=CC[C@@H]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1559983035 DXFKWKAPENIZPP-QGZVFWFLSA-N 407.536 1.934 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN([C@H](C)c2ccccc2F)C1=O 1564417039 KPQPDNYSBGBPRU-RHSMWYFYSA-N 411.499 1.778 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CC(=O)N2CCN(C(=O)CC#N)CC2)cs1 1566318015 PNVVMQSITFZXLC-UHFFFAOYSA-N 407.496 1.295 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)s1 1567190805 NOSSFWGQPOGVBN-KRWDZBQOSA-N 417.516 1.779 30 10 HDEE CCc1ccc(C(=O)NCc2nc(C#N)cs2)cc1S(=O)(=O)N1CCOCC1 1585407123 DSHWIKVSVKKQKE-UHFFFAOYSA-N 420.516 1.528 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1586384485 CFEHJXCFBXHPDX-QFIPXVFZSA-N 419.441 1.708 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C(F)(F)F)cs1 1587989721 NPVGHEULKJQPPD-JTQLQIEISA-N 419.454 1.773 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588034886 NCVVIVBFJZJYLO-HQRMLTQVSA-N 407.584 1.724 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCN2CCCCCC2)CC1 1588848932 RCXOPXWHJRMPJP-UHFFFAOYSA-N 407.566 1.895 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589515099 LBGFOZUEXWCKBP-OTWHNJEPSA-N 411.506 1.878 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1595239177 GECRPXUVCPHDLE-LJQANCHMSA-N 422.533 1.914 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(N)=O)C1 1595639769 JUMDIKOFIVWFHB-MRXNPFEDSA-N 412.494 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(C)C)C1 1595760003 JPKCBTQSUBGWOA-MRXNPFEDSA-N 411.572 1.890 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1596609941 KUSFKHQONRBWMI-XLAORIBOSA-N 419.522 1.387 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)Cc1ccc(OCC#N)cc1)C(=O)N2 1597900839 TVXQGLORXHKOSF-LJQANCHMSA-N 407.426 1.988 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3Cc4cc(O)ccc4C[C@H]3C(=O)OC)cc2C1=O 1607657839 HKSHPQVNVDYMMF-IBGZPJMESA-N 420.421 1.914 30 10 HDEE C=C[C@H](C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)c1ccccc1 1616462769 KFFLUGNSJKSRON-ZDUSSCGKSA-N 415.295 1.997 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1617347967 BXVOOZIAJDVESX-VQIMIIECSA-N 424.571 1.584 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@H](C)O1 1619736407 BHJXSFPWVWMGCQ-MAUKXSAKSA-N 408.466 1.349 30 10 HDEE COCCCn1c(-c2cccnc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619845562 HZBHAMXCXYCPRN-MRXNPFEDSA-N 419.493 1.753 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(CCS(=O)(=O)c3cccc(C#N)c3)C2)CCC1 1620614777 BYBRSNBHBCOZRY-FQEVSTJZSA-N 406.504 1.502 30 10 HDEE CCOC(=O)[C@H]1CCCN(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1621714877 GVUSLYNDFGNQCE-JKSUJKDBSA-N 408.499 1.233 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(S(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1 1622469478 FCVJQGCJCRJNBL-UHFFFAOYSA-N 420.397 1.782 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCOCc1ccc(C#N)cc1 1625510922 VPFUHWJOODULEI-QGZVFWFLSA-N 419.478 1.990 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1628340776 UFXQCXREVYNLAT-UHFFFAOYSA-N 420.472 1.869 30 10 HDEE C[C@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(N2CCCCC2=O)cc1 1628880598 IFYBQVWJIKRUOD-AWEZNQCLSA-N 409.446 1.605 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H](OC(C)(C)C)C12CCC2)c1cc[nH]n1 1632933179 PSIQXNHSGPLBAO-CABCVRRESA-N 406.483 1.936 30 10 HDEE N#Cc1cn(CC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1633311261 FKCJJLRKKPYWFJ-AWEZNQCLSA-N 406.345 1.022 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)C(=O)C1 1634471296 XMGMZRCRNXQVTE-KKSFZXQISA-N 420.510 1.377 30 10 HDEE COc1ccccc1[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)OC(C)C 1634497644 CCDCTKPPIFBOMH-QSFXBCCZSA-N 421.519 1.741 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)c2n[nH]cc2I)c1N 1635047257 GHWOQGUFKQPTEE-UHFFFAOYSA-N 419.186 1.906 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1 1636586796 ZSBLPYUNCBWSNC-FQEVSTJZSA-N 412.538 1.920 30 10 HDEE NC(=O)C1CCN(Cc2ccc(CNC(=O)C#Cc3ccc4c(c3)OCO4)cc2)CC1 1639197454 MUKZLCVAVLSPAP-UHFFFAOYSA-N 419.481 1.781 30 10 HDEE CS(=O)(=O)NCC[C@H]1CCCCN1CC#CCN1C(=O)c2ccccc2C1=O 1641536699 OQCCNRWSBPTKDC-MRXNPFEDSA-N 403.504 1.080 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN(CC)CCC)cc2)CC1 1643372384 IWKOVBSACXBNHF-UHFFFAOYSA-N 406.552 1.144 30 10 HDEE C[C@@H](C(=O)Nc1ccccc1S(C)(=O)=O)N(C)C[C@H](O)c1cccc(C#N)c1 1643725450 BEJZUMYDRDOXEO-KSSFIOAISA-N 401.488 1.954 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)n(C)c1 1645084743 DQIVKHNXMITFJB-HNNXBMFYSA-N 416.507 1.259 30 10 HDEE COC(=O)C[C@H](Cc1ccccc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1646459029 KCGRLCYXKUSQDR-IBGZPJMESA-N 414.483 1.764 30 10 HDEE Cc1ccc(C(=O)N2C[C@@]34CCCC[C@@]3(CN(C)C4)C2)cc1S(=O)(=O)NCC#N 1648193235 SVNTYJXRZXLIHA-OYRHEFFESA-N 416.547 1.745 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)c1 1648533456 UJSSJPRYEIMBQL-ZBFHGGJFSA-N 421.519 1.726 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1cc(C(=O)NC[C@H]2CCCN(CC#N)C2)nn1 1650834132 WEPLRWCOBFUDHH-MRXNPFEDSA-N 419.530 1.548 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)c1 1651082284 GRRFJSZIRBIQNY-IEBWSBKVSA-N 419.890 1.824 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)CC1 1651134737 OVNXIDNCONJEIK-LYBXBRPPSA-N 417.506 1.388 30 10 HDEE CCOC(=O)c1ccccc1NC(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1652848769 ICTGEOQOPUBUCK-UHFFFAOYSA-N 424.457 1.368 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc(CNC(C)=O)ccc1OC)C(=O)OCC 1656400680 VYIARVVAKXNCHM-AWEZNQCLSA-N 418.899 1.684 30 10 HDEE CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)NCc1ccnc(C#N)c1 1657426839 APHUYXRBEMCCJJ-UHFFFAOYSA-N 409.512 1.619 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Br)cc2)CC1 1658123281 JUDPDSACIYCXRA-UHFFFAOYSA-N 401.286 1.066 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1658952676 DXDRRVSGOIQXST-SFHVURJKSA-N 405.520 1.442 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2[C@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2(C)C)CC1 1660694292 OSSFEEMJDPQRPU-RLLQIKCJSA-N 418.582 1.778 30 10 HDEE C=CCCn1cc(CNc2ccc(OCC)c(S(=O)(=O)N3CCOCC3)c2)nn1 1662414222 NTWJFBBHZLFHFG-UHFFFAOYSA-N 421.523 1.886 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNS(=O)(=O)c3ccccc3C#N)CC(=O)N2C(C)(C)C)cn1 1665020122 BQHVKQOLJVTMJE-BEFAXECRSA-N 415.519 1.958 30 10 HDEE O=C(NC[C@]1(O)CCN(CC#Cc2ccccc2Cl)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1672008297 FYANUYWPRFUKCW-RTIIGACLSA-N 400.906 1.668 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1CCN(S(N)(=O)=O)CC1 1672214295 JRDWSLIZXFGMCO-UHFFFAOYSA-N 419.301 1.367 30 10 HDEE C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1681002433 XMNSUUQIIMXGPF-UHFFFAOYSA-N 422.334 1.953 30 10 HDEE C#CCN(C(=O)NCc1nc2ncccn2n1)C1CCN(C(=O)OC(C)(C)C)CC1 1683421850 ZPHTZJGUOYZJCV-UHFFFAOYSA-N 413.482 1.669 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@]3(c4cnn(C)c4)CCCO3)CC2)c1C#N 1685570864 VYAXJTIMDMPVSJ-IBGZPJMESA-N 415.523 1.594 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@H](C)N3C[C@H](C)O[C@H](C)C3)CC2)c1C#N 1686904484 CASVXNGZKVAPPG-SOUVJXGZSA-N 406.556 1.653 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCOCC1 1690019882 TWHGDVDINURRRS-QFIPXVFZSA-N 419.529 1.735 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1690020022 XCVZLFHOJIAJSX-MRXNPFEDSA-N 415.494 1.184 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCCC1 1690031712 UQASZYPSPRJSIJ-UHFFFAOYSA-N 405.506 1.874 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1690120472 WBSPPIGMPLZLDZ-GOSISDBHSA-N 414.535 1.063 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1690188959 QYWLAKMUAYEKOE-JONQDZQNSA-N 422.507 1.483 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCN1CCCS1(=O)=O 1690201664 TWMVVNAPXYJHRC-LJQANCHMSA-N 400.508 1.368 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC(=O)N(C)[C@H](C)C1 1690238946 PNZHFRKPFUOGLC-MTNOOBJLSA-N 421.542 1.650 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC(OCC(N)=O)CC1 1690245465 IRONZOTVOQLHDF-FCEWJHQRSA-N 419.526 1.234 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690428021 ASLXJVZKWAVINV-INIZCTEOSA-N 424.509 1.810 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC=C)CC=C 1690668651 DBTUCJNVUFFUHL-UHFFFAOYSA-N 419.489 1.673 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690670070 YCIVSTGCFFRZPI-UHFFFAOYSA-N 414.432 1.353 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCO[C@H](C)C1 1690676356 XNOKPYGVPHAWSE-OAHLLOKOSA-N 403.458 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1690724426 OLYWBASPBXVOBN-KZNAEPCWSA-N 424.567 1.778 30 10 HDEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1692695254 HCJPBKGZYNHZGD-AUUYWEPGSA-N 420.514 1.741 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1697777650 FFDIEVFEKVXMRD-SFHVURJKSA-N 422.468 1.918 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N1CCC(C#N)CC1 1698188436 AMXOKGUCYPSLQP-UHFFFAOYSA-N 420.477 1.944 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C(N)=O)cc1 1698227949 PSMZPZVRHKWVNR-JLSDUUJJSA-N 412.494 1.888 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1705501220 GQEPJILIECOBEW-CVEARBPZSA-N 418.519 1.758 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)cc1 1705542062 XUQKLUQNJKWWGP-HNNXBMFYSA-N 405.524 1.793 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(CCOCC)CCC1 1705582951 NLDPDCCGSVTDGL-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(F)c2)CC1 1705648170 PKQUWHSALDUHQV-SFHVURJKSA-N 411.481 1.935 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](OC)C1 1705659404 VDWRMXVAFGXVFF-AWEZNQCLSA-N 403.508 1.987 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1705692913 XKLMUXYGVQZDBI-GFCCVEGCSA-N 420.333 1.120 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1705693566 IBHFJLZWLVRWSH-IEBWSBKVSA-N 404.559 1.593 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705698125 PUTXYFPYAHBUFB-ICSRJNTNSA-N 402.543 1.312 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCCNS(C)(=O)=O)C1 1705918287 GLIQCICMMPDKAP-KRWDZBQOSA-N 419.551 1.974 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)S[C@H](C)C1 1705932102 LHGCJCMEODLPDX-ZIAGYGMSSA-N 408.553 1.666 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1 1708146620 DYNHPOKHPQTPAU-AWEZNQCLSA-N 401.430 1.997 30 10 HDEE CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc(C#N)o2)C[C@H]1C 1710217049 WGELQVQXBMKJQV-HZPDHXFCSA-N 411.510 1.832 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1712886704 BUBYVHMOSQHACB-MRXNPFEDSA-N 423.539 1.199 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722277664 OGBYDULWAICVAK-JKSUJKDBSA-N 405.524 1.734 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOC1=O 1722280512 VYXQMPBBLMMGIA-OXJNMPFZSA-N 405.499 1.619 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722368230 PVVPTPPIODIWQV-QZTJIDSGSA-N 423.583 1.139 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1722407788 RSWHIDXMEXSFFB-UHFFFAOYSA-N 421.509 1.685 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC)CC1 1722442938 JGLQUFARBQATHQ-UHFFFAOYSA-N 419.493 1.297 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1722456180 TVLIAQKEIGBIKE-UHFFFAOYSA-N 400.508 1.002 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCCS(C)(=O)=O 1722471661 MUELCROSDKTODB-HNAYVOBHSA-N 407.540 1.436 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2nc(C)cc2C)CC1 1722559878 KWLUIPIPCHDAQZ-QGZVFWFLSA-N 421.571 1.948 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCOCC2)C1 1722721820 VZFWNQIYVUTTRB-SFHVURJKSA-N 416.526 1.463 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1722815829 QYMRUVPWXBGLJK-PGRDOPGGSA-N 421.505 1.400 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)C1 1724003055 LCHWTNMYKKILLQ-CBGDNZLLSA-N 416.526 1.802 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1729828247 CKINJJKZNUMDHG-INIZCTEOSA-N 406.494 1.912 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 1730700847 ZCBAAYROXNHYFL-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1740553123 UGCWAPJJBSWBDH-ANNUQZOISA-N 422.464 1.992 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740565571 XFKQUNUFARLMGJ-MOPGFXCFSA-N 414.554 1.475 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1C(=O)OC(C)(C)C 1740598390 OOFIDUKDOLYJHL-INIZCTEOSA-N 416.526 1.983 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1740600214 IZVVXSNEBPGQDC-WBVHZDCISA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cnc2ccccc21 1740610267 VLHLSDKZXWNRSY-INIZCTEOSA-N 412.519 1.690 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740617410 QQPKWCCYGQSERF-UONOGXRCSA-N 404.483 1.700 30 10 HDEE C#CCN(c1nnc(CC)n1CCC(=O)N1CCCCCC1)[C@H]1CCS(=O)(=O)C1 1740624479 HHXGAISODZGWFS-KRWDZBQOSA-N 421.567 1.260 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1740946540 YDNWSRLIVOWVHL-OAHLLOKOSA-N 412.498 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1748672623 VSOUZKNAHBAHFR-UONOGXRCSA-N 423.926 1.766 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1748686029 JMYRHYFJUIADLD-CKJXQJPGSA-N 400.479 1.864 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1748713834 UIDABMGDDJCNNR-KRWDZBQOSA-N 422.493 1.305 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)c1nccs1 1748731936 OTWFDWSROPNYRL-UONOGXRCSA-N 410.569 1.998 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1748811650 JSVYNOIKSMPOJL-SJORKVTESA-N 417.535 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCn2ccnc2C1 1748855624 FHFSEMIQRIOUAQ-LJQANCHMSA-N 402.506 1.672 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCc2cn3ccccc3n2)n1 1748970597 KZUQZFREDGDGNL-UHFFFAOYSA-N 418.505 1.960 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](C)N(C)C)CC1 1748994842 UBWJGEFPYJAUAW-LJQANCHMSA-N 410.566 1.777 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C)C1 1749026060 CBZHJONDEHJGET-HNNXBMFYSA-N 410.507 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCO[C@H]1C 1749055327 HPBQPSOYQKVATR-CZGNIMDHSA-N 404.511 1.462 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1749098285 VIFWGAXSMIFNLT-WORDMNGFSA-N 410.316 1.735 30 10 HDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1749181010 ITYMLUKMSQCLBA-AEFFLSMTSA-N 410.478 1.623 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1749199186 HWGWEEUZECWXJX-HXUWFJFHSA-N 424.549 1.832 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749450624 NPCHYRROZXLGPX-DYESRHJHSA-N 421.542 1.783 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NC 1749573644 RSNSBNJTKHWHLW-UHFFFAOYSA-N 400.483 1.956 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)CCC1 1750217657 CWXTXOBKUFMJLK-XBBWARJSSA-N 418.567 1.945 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCOCCCO)cc1 1750383043 NTUWZCNXLDWAQV-HXUWFJFHSA-N 421.505 1.392 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)c1 1750528360 CHDPKRYYMILEAD-IERDGZPVSA-N 412.469 1.947 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1750579845 FCYUHNAEUJNXMR-BFUOFWGJSA-N 402.455 1.142 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1760124053 OBPFGDDELNGRBU-OAHLLOKOSA-N 421.498 1.490 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1760185813 DWGVRMLARDZOKF-OAHLLOKOSA-N 407.565 1.783 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1C[C@H](C)O[C@H](C)C1 1760204377 NQOGCLREJGCRHW-BGYRXZFFSA-N 406.534 1.836 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1760218549 JCGGPGVAJWPINN-ROUUACIJSA-N 404.536 1.807 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCOc2ccc(S(C)(=O)=O)cc2)CC1 1760261898 SBIFMHIILQBZFB-UHFFFAOYSA-N 417.535 1.078 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1760305426 FWIHGWKXFBWOBV-OLZOCXBDSA-N 409.288 1.884 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCN(CC)CC1 1760340976 VAIQMAVSACPIJM-IBGZPJMESA-N 417.602 1.829 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)s1 1760464881 QZFLSNYUBKWTBL-HNNXBMFYSA-N 411.553 1.651 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H]1c1nncn1C 1760527511 ZIGQXJNXIWYCRW-GOSISDBHSA-N 420.521 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1C(C)(C)C 1760558447 PCWONWNQEMUDIJ-ZIAGYGMSSA-N 420.601 1.434 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1762913181 OONJHBMBWZLEOF-SJORKVTESA-N 424.571 1.411 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1767439602 NGIZAVZYFOOCAE-MOPGFXCFSA-N 400.414 1.885 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2C[C@H]2CCC(=O)N2)c1 1770746753 MWXGUEPWMPUXQI-NVXWUHKLSA-N 407.478 1.187 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)C2CCN(c3ccc(C#N)cc3)CC2)CC1 1851797956 NERMBNLLWIFKJN-UHFFFAOYSA-N 404.536 1.562 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1853682585 NCSIREIDSJMQOS-ZWKOTPCHSA-N 403.454 1.441 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCCC[C@H](N2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854072791 KLEFWRYYKHTGKR-AEFFLSMTSA-N 411.568 1.606 30 10 HDEE CCOCC(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CCC1=O 1854367580 VZUSPFCYYBQLGP-GOSISDBHSA-N 418.538 1.262 30 10 HDEE Cc1nn(C)c(C)c1CCN(C)C[C@@H]1CCC(=O)N(C(=O)c2ccnc(C#N)c2)C1 1854867983 NWKRRCLEYPPJJL-KRWDZBQOSA-N 408.506 1.857 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](C2CCN(CC(=O)N3CCOCC3)CC2)CC1=O 1855032831 HSZBRRAQSJNZAB-HKUYNNGSSA-N 405.539 1.535 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cncc(Cl)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855807011 MOBIYMGUCUHFHA-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(C3CC3)n(C)n2)CCN1CCOc1ccc(C#N)cc1 1855943304 ADJJOYYFIGOCEH-OAHLLOKOSA-N 407.474 1.921 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)COc3ccc(F)cc3)C2=O)C1 1857114190 ICMAZUYLVBIXGF-GOSISDBHSA-N 410.405 1.362 30 10 HDEE COc1ccc(OCC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)c(OC)n1 1857339468 OYYDEORFUCHUBQ-HNNXBMFYSA-N 402.451 1.231 30 10 HDEE COc1cccc([C@@H](CNS(=O)(=O)c2ccccc2C#N)N2CCOCC2)c1 1858072968 ZIKYGBXADJXMDQ-LJQANCHMSA-N 401.488 1.919 30 10 HDEE C#CCOc1cn(CCCCN2CCCC2)c(CN2CCC(C(N)=O)CC2)cc1=O 1870564057 YXBJXNPOPDMLOG-UHFFFAOYSA-N 414.550 1.434 30 10 HDEE O=C(O)c1ccccc1/C=N/Nc1cnn([C@@H]2CCS(=O)(=O)C2)c(=O)c1Cl 1873528520 AYTKVCUREBNQMF-MBCCIFHSSA-N 410.839 1.401 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)C[C@H]2OCC[C@H]21 1880980028 LLZAIXDXRLDGQX-QLFBSQMISA-N 402.403 1.908 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N=c1[nH]cc(Br)nc1Br 1926477126 XFSUBUFCZSBOFT-ZETCQYMHSA-N 412.107 1.961 30 10 HDEE N#CC1CCN(S(=O)(=O)N2C[C@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)CC1 2054406476 WEHMFRRMBWNCSJ-FGTMMUONSA-N 404.492 1.466 30 10 HDEE N#Cc1ncccc1C[S@@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074696426 RELRVTNOHYWKBT-HJWYETAXSA-N 401.444 1.972 30 10 HDEE C=C1CC(CNS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2126538994 JJSQBOAUZXLZQQ-SFHVURJKSA-N 424.450 1.351 30 10 HDEE Cn1nc(CNC(=O)[C@H](N)CCCCC#N)c(I)c1Cl 2174383622 IMGPLEYVYIHJTC-MRVPVSSYSA-N 409.659 1.706 30 10 HDEE COC[C@@]1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCCN(C(=O)OC(C)(C)C)C1 2174781743 IVGQMOZHWSWEAK-RHSMWYFYSA-N 402.517 1.082 30 10 HDEE C#CCN(C(=O)[C@@](C)(NC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 2180113128 NGVBYCPBSGYFAN-IAQYHMDHSA-N 412.430 1.481 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(C#N)ccc1Cl 2181083422 MZHGTWHEDAHYQQ-QWHCGFSZSA-N 415.899 1.860 30 10 HDEE O=C1NC(=O)N(CC#CBr)C(=O)[C@@H]1c1ccccc1Br 2198126873 DGXZVXDGIOANIL-SNVBAGLBSA-N 400.026 1.967 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2243426543 ZASGHCHRCSBOLK-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2243429076 WLWRVNNVDXFZBN-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCO[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674779 NNDIVCQBDMRHHD-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCC#CBr)[C@H](O)C(F)(F)F 2244542765 BURMITIBYUCVKB-IUCAKERBSA-N 403.195 1.665 30 10 HDEE C[C@@H]1CN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247821085 VIHSJTBVJNUSMC-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248442348 RZEWYSJAFJOKGN-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE Cc1nc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n[nH]1 2267355841 VXCZLHDBXVLYKX-UHFFFAOYSA-N 404.710 1.928 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[S@](C)=O 2267371620 CSJZNWMNAPWSAN-JNDILOIQSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCOC(F)(F)F)OC1(C)C 2267372833 UVPAVKHMIDJWQD-UHFFFAOYSA-N 401.237 1.862 30 10 HDEE CS[C@H](CO)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267375639 JYUXMTBMLVBXTP-CMPLNLGQSA-N 407.388 1.438 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCCS(=O)(=O)CC3)c2Cl)OC1(C)C 2281944306 CQGXOIRACZDJOX-UHFFFAOYSA-N 419.761 1.961 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282200693 OAVSBIPJCGCMNJ-VXGBXAGGSA-N 401.359 1.941 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3[C@@H]4CNC[C@@H]34)cc2Cl)OC1(C)C 2282308264 PCAFJJBAIWDIHH-NXEZZACHSA-N 418.777 1.444 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCN)CC1CC1 2282319923 AXMVMXDBJLXXKP-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CN1CCCC[C@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282330780 FAXPONXGLWSHDD-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282525129 IVBNCAKEGFFTEH-MNOVXSKESA-N 402.347 1.336 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCO[C@H]3C(N)=O)sc2Cl)OC1(C)C 2282612219 DCYMZOCFUNGXLX-GXSJLCMTSA-N 400.693 1.073 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC(=O)NCC(F)F)c2Cl)OC1(C)C 2282640497 OEOOXCYAERBHTO-UHFFFAOYSA-N 408.663 1.812 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(CN)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282835937 CIJXBGGRXDJGGK-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CCN1CCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282840505 NSWVYNDNTQMNEF-UHFFFAOYSA-N 400.375 1.682 30 10 HDEE CO[C@H]1C[C@H]1CN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842566 ACVBCKUPGUWUOG-KBPBESRZSA-N 401.359 1.844 30 10 HDEE CN([C@@H]1CCC[C@@H]1O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845388 ROOOSAOQPSESIT-OLZOCXBDSA-N 402.347 1.117 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H](CN)C1 2282847776 DVRLEJFFEZUSFD-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CCN1CC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855988 LZKHOJFPMCRKPL-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CCCCN(CC(N)=O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857737 MACZYBYHSUROHM-UHFFFAOYSA-N 402.347 1.323 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCC[C@@H]2O)OC1(C)C 2282866646 MVWAUXKKLWXPGL-OCCSQVGLSA-N 401.359 1.628 30 10 HDEE C[C@H]1CNC[C@@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869818 ISUUEHFAXLFHSS-BETUJISGSA-N 400.375 1.559 30 10 HDEE CN1CCC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282883375 ZSLOQWUVIDLEJF-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC[C@@H]1C[C@@]1(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400377 ABXGVAKFIAWWAE-HWPZZCPQSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2C[C@H]2C(=O)O)OC1(C)C 2284403571 RCOIEUHKVUEPEC-BXKDBHETSA-N 401.677 1.391 30 10 HDEE C=C(CS(=O)(=O)N1[C@@H](C(=O)O)CS[C@@H]1C(C)C)B1OC(C)(C)C(C)(C)O1 2284414565 IQTPGUAVJKXPFR-CHWSQXEVSA-N 405.347 1.988 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CSC[C@H]1C(=O)O 2284415156 WEJXENBIKQCRHT-JTQLQIEISA-N 419.355 1.504 30 10 HDEE CCN(CC)CCNC(=O)C(=O)C=Cc1ccc(OCC(=O)N(CC)CC)cc1 2325709581 GZQJZVGDYQDMNA-UHFFFAOYSA-N 403.523 1.974 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)OCC(C)C)n1N=Cc1ccc(O)c(O)c1 2330785542 DLWNLYJFXBOFGE-UHFFFAOYSA-N 421.479 1.499 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(C)CC2)nnc1-c1cccc([N+](=O)[O-])c1 9048490 MHQFWEAFAHNQGC-UHFFFAOYSA-N 402.480 1.905 30 10 HDEE C=CCNC(=O)[C@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 16836070 XKLYWOQXASVRBO-AWEZNQCLSA-N 409.508 1.385 30 10 HDEE CCN1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(F)c1 301997446 UGVXUIBKCVSWLM-CVEARBPZSA-N 405.861 1.996 30 10 HDEE CN(C)C(=O)CCN1CCC(NC(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 434579475 AHXINPZSWCBEPF-UHFFFAOYSA-N 416.526 1.112 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1sc(C)c(C)c1C#N 441199447 PPRPHKRAAQVPBC-RRCSTGOVSA-N 405.476 1.600 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 448376410 PLZLGMMZTRDLGI-UHFFFAOYSA-N 406.458 1.507 30 10 HDEE Cc1nn(C)c2[nH]c(=O)c(CCC(=O)Nc3cnn(-c4ncccc4C#N)c3)c(C)c12 461306299 GDTLOQKHYAHDEA-UHFFFAOYSA-N 416.445 1.902 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3cnccc3C)CC2)c1 461796381 HVOBETJVDMRPDJ-UHFFFAOYSA-N 400.504 1.817 30 10 HDEE COc1ccnc(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)c1 462090735 GOHCISIHBKHATB-UHFFFAOYSA-N 404.434 1.897 30 10 HDEE CCOCc1nc([C@@H](C)NC(=O)N2CCN(c3snc(C)c3C#N)CC2)no1 462316213 XYBOUYQKGPCLDA-GFCCVEGCSA-N 405.484 1.836 30 10 HDEE N#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 464801701 IAQPZKJDXXQXQV-IBGZPJMESA-N 411.483 1.798 30 10 HDEE Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)N[C@@H](C#N)C1CC1 467516424 KIDABRPENMKCHT-SFHVURJKSA-N 401.492 1.488 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)Cc1cccc(C#N)c1)c1ccc(OC)cc1OC 472618484 XMIBBAVMKXASNR-SFHVURJKSA-N 404.444 1.909 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)CC1 478053065 JGVBSQWNBPNTQZ-KRWDZBQOSA-N 418.563 1.397 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Br)c2)CC1 492292223 VTTYBPJCQNERGW-SJORKVTESA-N 406.324 1.999 30 10 HDEE CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(C(=O)CC#N)CC1 503642220 JZHGWBXUVWNOKN-IBGZPJMESA-N 409.490 1.436 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cccc(OCC)n2)CC1 508462951 BPBSXYVXZRPDBZ-INIZCTEOSA-N 400.483 1.672 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1scnc1C 508937078 BJGXZTDWGDXGQQ-CYBMUJFWSA-N 412.541 1.198 30 10 HDEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508961713 ODTHGHINYBEPQS-UHFFFAOYSA-N 409.469 1.999 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2CSc2nc[nH]n2)CC1 517643590 BDOBUFNSRGIOOR-UHFFFAOYSA-N 400.508 1.157 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C2CCN(c3oc(C)nc3C#N)CC2)CC1 526036611 CZUYLXNYZOYOJJ-UHFFFAOYSA-N 418.494 1.889 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCOCC1 549270726 LHCGKNOMUVPLIG-INIZCTEOSA-N 413.544 1.050 30 10 HDEE CCNC(=O)C[C@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 551424103 AEMHYGQMLJBBOP-MSOLQXFVSA-N 417.579 1.838 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2nncs2)c1 552771304 PCZQCCFCPHDQPV-UHFFFAOYSA-N 414.534 1.726 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@H](C)C2CCN(CC(F)(F)F)CC2)CC1 557335859 LSKOIHSADRDDBI-SJLPKXTDSA-N 417.520 1.931 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 559023086 BGZPLNKLTJBCIO-UHFFFAOYSA-N 405.524 1.557 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(N)=O)c2=O)cc1Cl 569658186 YGYMEVBZBLYHON-UHFFFAOYSA-N 415.902 1.229 30 10 HDEE COC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 578582048 TVPCCWJWMUFWPO-UHFFFAOYSA-N 400.460 1.180 30 10 HDEE N#CCCSc1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 609406523 UUYOKZMLVOUVFN-UHFFFAOYSA-N 410.521 1.173 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 609421536 KFVDLDKNISANJK-UHFFFAOYSA-N 408.506 1.791 30 10 HDEE CC(C)CC(=O)NCCc1ccc(S(=O)(=O)NC2CCN(CC#N)CC2)s1 611277635 QWHXVRFCOUUCKZ-UHFFFAOYSA-N 412.581 1.719 30 10 HDEE C=CCOC[C@H](NC(=O)c1nnn(-c2cccc3c2CCN(C)C3)c1C)C(=O)OC 619511500 GPOBLSQEMJBDFD-KRWDZBQOSA-N 413.478 1.038 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1C 732652163 PKEATJUDFKRZJX-GOSISDBHSA-N 404.536 1.838 30 10 HDEE COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706774 ONTMISJWWHLUCQ-MRXNPFEDSA-N 414.462 1.398 30 10 HDEE C#CCN(C(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)[C@H]1CCS(=O)(=O)C1 732953835 DQQJLBWWTKRXMP-LBPRGKRZSA-N 423.288 1.553 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CN2CC(=O)N(Cc3ccccc3C#N)C2=O)CC1 738172018 VAJQNJRVELEWIO-OAQYLSRUSA-N 424.549 1.382 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@](O)(C(F)(F)F)C1 741286171 WEBCDVQGKXRJNX-OAHLLOKOSA-N 405.398 1.031 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)O[C@H]1CCN(c2ccccc2Cl)C1=O 741342186 FZPHMHWJPKMNIZ-DVEDPGPFSA-N 403.822 1.905 30 10 HDEE C#CCCN1CCN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)CC1 744366301 LYBZJDKBCSDVIK-UHFFFAOYSA-N 420.307 1.732 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)O[C@H]2CCN(c3cc(C)nn3C)C2=O)cc1 744560378 ABBMURKPPQGLDB-INIZCTEOSA-N 418.475 1.155 30 10 HDEE CN1CCC[C@H](CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)[C@@H]1c1cccs1 745813185 JIXDXSKUPJWNRR-DTLHYBNHSA-N 417.535 1.957 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 750961473 JSCXKMHVILRUKN-QFIPXVFZSA-N 401.426 1.962 30 10 HDEE Cc1cnc(CCN(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)s1 755210088 LFJUKRDEOUWVDZ-UHFFFAOYSA-N 406.533 1.971 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1nc2c(s1)CCCC2)c1cc[nH]n1 772348645 RDTDNKMUMGXOKS-UHFFFAOYSA-N 405.480 1.687 30 10 HDEE Cc1cc(S(=O)(=O)NCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C)s1 772626332 RABDQJHICIHVJT-HNNXBMFYSA-N 411.553 1.025 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OCCOCC)[C@H]1CCS(=O)(=O)C1 774250419 LZLYMAOIEPLEGB-SFHVURJKSA-N 408.520 1.742 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H](O)c1ccc(C#N)cc1 780930535 PNEOUTSGARTMIR-GOSISDBHSA-N 402.495 1.603 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)n1 787907593 GCMVUERJPCMLOF-LBPRGKRZSA-N 416.459 1.908 30 10 HDEE COC(=O)c1cccc(CN2C(=O)c3cc(OC)cc(OC)c3S2(=O)=O)c1C#N 790031295 HBMHEVAYWHCVHW-UHFFFAOYSA-N 416.411 1.707 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NCC2(C)OCCCO2)cc1 792738350 CRYZTLUUFOVDEU-PGMHBOJBSA-N 410.496 1.774 30 10 HDEE COc1ccc(CNC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1C#N 805223765 MSDBIBJWIXLAGH-ZDUSSCGKSA-N 408.402 1.188 30 10 HDEE C#CCN(c1nnc(-c2ccccc2Br)n1C)[C@H]1CCS(=O)(=O)C1 809867873 UNDRUUCVRDEIEB-LBPRGKRZSA-N 409.309 1.871 30 10 HDEE C#C[C@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(F)cc1 812753241 CKBAAVSHEGACSB-LBPRGKRZSA-N 418.226 1.522 30 10 HDEE CN(C)c1ccc(N2C(=O)C[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 917637451 ZQAPQZDMPKRUJO-IBGZPJMESA-N 404.474 1.473 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cn3ncc(Br)c3C)CC2)c1C#N 1128031692 YVRNJQIMRJHOKG-UHFFFAOYSA-N 406.288 1.216 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCOCC1 1133710031 QEMZIJSPEOPAHV-UHFFFAOYSA-N 415.515 1.648 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2ccc(I)cc2-n2cnnn2)CCO1 1134270158 AYUYEEQWQCRYLS-AWEZNQCLSA-N 424.202 1.022 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@]23COCC[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 1136574925 HBVQBGYRTNJLCI-NPPFBWRTSA-N 420.554 1.952 30 10 HDEE C=CC1(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CN(C(=O)OC(C)(C)C)C1 1136609896 FIPYUVWHDSULMO-UHFFFAOYSA-N 420.554 1.566 30 10 HDEE N#CC1(C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc2)CCSCC1 1140390820 NDALEGMYWCLSNB-OAHLLOKOSA-N 409.533 1.807 30 10 HDEE C[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccsc2C#N)CC1 1147253914 BGUXOMCUHOWDMC-LBPRGKRZSA-N 410.546 1.697 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CC2(n3cnnn3)CCOCC2)C1=O 1156414383 MRYHPTRLVCRKBO-GOSISDBHSA-N 421.502 1.271 30 10 HDEE Cn1cc(C[C@@H](CO)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1162342196 FWYZEGOIRCJTIL-CABCVRRESA-N 401.854 1.018 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)NN2C(=O)COc2ccccc2C#N)C1 1165820564 IENCOVIBFNQDOR-FQEVSTJZSA-N 400.435 1.580 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2cccc3ccccc23)CC1 1175515311 WSGUOJWDGLAHHX-UHFFFAOYSA-N 415.515 1.611 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccc(C#N)nc2)CC1 1177114358 VDYHLVMKEPEBPA-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)C1 1177759417 OZPIEDMZFUWFMI-MRXNPFEDSA-N 423.517 1.858 30 10 HDEE Cn1c(=O)[nH]c(N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(C#N)c1=O 1187783805 VIRJWYXXSPOWBW-KNVOCYPGSA-N 418.244 1.552 30 10 HDEE CCOC(=O)C[C@@H](O)CN1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1193032621 FSFAEFGMULEXPW-IAGOWNOFSA-N 410.312 1.945 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1cc(Cl)cc(S(=O)(=O)CC)c1 1224762044 KDOKFPTWDDXRPL-UHFFFAOYSA-N 408.929 1.534 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)NCC#CCN(C)C)C[C@H]1c1ccc(Br)cc1 1256584429 DMPYFROMMQZADH-DLBZAZTESA-N 422.323 1.912 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@H]12 1284058325 QCVINODCRAXVKY-ACRZCYAISA-N 401.551 1.948 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C(C)(C)C 1286449763 GEKMVBVMXHTBFW-UHFFFAOYSA-N 416.551 1.891 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1286493467 BSEOEOYVNLTGLJ-UONOGXRCSA-N 415.585 1.041 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1286600545 BMEAGLJLPDFGCP-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE C=C(Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1)c1ccccc1 1286616740 CCRAPKKZAKXVDC-MOPGFXCFSA-N 411.506 1.837 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(CC)C1 1286817984 AFNAYQQVJDDFFI-GOSISDBHSA-N 408.528 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](C)C1 1286821162 CBWLENOCKYBQOL-IYBDPMFKSA-N 405.524 1.478 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1288524525 DPSJDYAFVGGUIY-CYBMUJFWSA-N 410.931 1.810 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1288524750 GNDSSXKEDXMJSD-PMPSAXMXSA-N 423.539 1.462 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 1297517192 NIKMEQPKYJGSMN-AEFFLSMTSA-N 408.543 1.065 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCCC1 1300307117 BORJDIIVXAMNJR-SJORKVTESA-N 407.584 1.903 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1300468617 FVKUCYMKUINOEP-UHFFFAOYSA-N 403.433 1.499 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@H](OC)C(C)C)[C@@H]1CCS(=O)(=O)C1 1300490693 BRKVKPKMGVIONM-WBVHZDCISA-N 418.523 1.033 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1conc1COC 1300544977 JOAHMXMEQJSPDI-UHFFFAOYSA-N 424.486 1.525 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](C)CN2CCOCC2)CC1 1300690373 JLEQDWDWSKIWDZ-SFHVURJKSA-N 412.538 1.570 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 1300735073 BCKZKEDKVSPHDE-MAUKXSAKSA-N 405.520 1.672 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300897126 OGSXKWRCBIAAEM-ZVDOUQERSA-N 419.570 1.954 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1301297590 QLZNDJXHLYQROS-OAHLLOKOSA-N 418.502 1.386 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2nc(CC)ns2)CC1 1301479248 XPOYMBAFKWHSRY-CQSZACIVSA-N 418.571 1.834 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1301555119 SRYYSBOEMZJQTM-MSOLQXFVSA-N 419.526 1.596 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)[C@@H](C)C1 1301567548 ITKHLCBZBGNILG-GJZGRUSLSA-N 418.523 1.618 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1301735863 CCWRVLBAIJHRJV-JKSUJKDBSA-N 417.934 1.582 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)C1 1301818072 JDTLRRWSZDNSPS-IBGZPJMESA-N 412.494 1.321 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)C2CC2)C1 1302174694 RFRQLAFZRVEOHU-IBGZPJMESA-N 424.505 1.585 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1302782458 IHDPCRJAQCETJV-NRTINQSCSA-N 414.510 1.618 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCNc2ccccn2)cc1 1302989542 OELKUMYVLLZGDT-UHFFFAOYSA-N 402.462 1.650 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC(C)(C)[C@@]3(O)CCOC3)ccc2c1=O 1306864332 DCZPMPZQNRVHFV-HXUWFJFHSA-N 403.504 1.779 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C)O[C@H](C(=O)OC)C3)ccc2c1=O 1306870248 ABLJMZBRELEZBS-NHYWBVRUSA-N 403.460 1.274 30 10 HDEE C=C[C@@H]1OCCC[C@H]1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 1307122465 MGCWYHPOEHKMCE-AEFFLSMTSA-N 410.496 1.676 30 10 HDEE CC1(C)CCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC[S@]1=O 1307769241 ARTGGGGTTOVEHW-SONOPUAISA-N 420.554 1.768 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1309763298 YQVLYTOOKNHUQE-SXBQZSJRSA-N 423.944 1.899 30 10 HDEE C#CCN(C(=O)c1cc2c(C(F)(F)F)cc(O)nc2o1)[C@@H]1CCS(=O)(=O)C1 1318302008 KFGDKNBCZRDYGJ-SECBINFHSA-N 402.350 1.815 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3cccc(Cl)c3C#N)c2)NC(=O)NC1=O 1335332885 PIQMDOUZANTTIF-SFHVURJKSA-N 418.862 1.745 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2cnn(C)n2)c1 1355959192 BFVHYCVVYGSIMF-NKFKGCMQSA-N 418.523 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCCC1 1358869697 SRWFUWYKUPTHHV-HNNXBMFYSA-N 407.540 1.329 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCS(=O)(=O)C1 1358894934 ZQLUVBCANFCVEE-DZGCQCFKSA-N 407.565 1.917 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC1(SC)CC1)[C@@H]1CCS(=O)(=O)C1 1358960259 AKDKXUROCSOZSC-OAHLLOKOSA-N 419.576 1.806 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnn(C)c1 1358983317 CNRWXHQXAKSIFU-HDICACEKSA-N 423.521 1.903 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1359024989 ZTTBEOIUWIWDNX-QZTJIDSGSA-N 404.511 1.801 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@]2(C)COCCO2)n1 1359028375 PWKDFOQKEDTQAP-HXUWFJFHSA-N 402.499 1.129 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCSC1 1359113875 SIMCWADFKMEBSE-PBHICJAKSA-N 400.570 1.451 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@@H]2CCOC2)cn1 1359472698 OYHSCRHKWBIXPT-BFYDXBDKSA-N 412.498 1.226 30 10 HDEE Cc1ccc(C#N)cc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1449269390 LGUJNIIIYHSLPO-SFHVURJKSA-N 420.517 1.443 30 10 HDEE O=C(CCOc1ccccc1I)N[C@H]1CCCN(O)C1=O 1450265315 ATMSRPYBGMQEBI-NSHDSACASA-N 404.204 1.557 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1 1452946178 NCHJIQLAXGBUGE-KRWDZBQOSA-N 414.466 1.480 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@]3(COC)C(=O)OC)n[nH]2)c1C 1453371947 AXYMHGVMCHBZCM-HXUWFJFHSA-N 401.467 1.870 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 1460025442 FGTQMFKTEVUGLK-UHFFFAOYSA-N 422.489 1.483 30 10 HDEE N#CCCN(C(=O)CCC(=O)NC[C@@]12COCCN1C(=O)OC2)c1ccccc1 1462299837 UGEWINNJXCAOPL-FQEVSTJZSA-N 400.435 1.051 30 10 HDEE CCNC(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1464215086 UEYKWWLJOKYFFD-UHFFFAOYSA-N 403.435 1.803 30 10 HDEE C=C[C@](C)(O)CC(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1464759582 MYQYCGUEMPMTJO-FQEVSTJZSA-N 402.451 1.473 30 10 HDEE C#CC[C@H](NC(=O)CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1468874660 BOZUIOVTRLWGTC-AWEZNQCLSA-N 420.409 1.445 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)N1CCN(c2ccsc2C#N)CC1 1469917072 KXHPFROLBOOVGQ-KGLIPLIRSA-N 411.553 1.169 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cnn(C)c3)ns2)c1 1472227618 UFRNWDQTTCEBSI-UHFFFAOYSA-N 404.477 1.655 30 10 HDEE CC(C)CN(CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1472371735 XBDPRRMXZDXGKH-UHFFFAOYSA-N 405.455 1.097 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CC1)C[C@H](O)CNC2=O 1473851309 CTCUUXTWFWZZDO-QAPCUYQASA-N 402.470 1.424 30 10 HDEE N#Cc1ccc(N2CCC(NS(=O)(=O)c3ccc4[nH]c(=O)cnc4c3)CC2)nc1 1474925010 FOVOZUYEHHEQDG-UHFFFAOYSA-N 410.459 1.137 30 10 HDEE C#C[C@@H](NS(=O)(=O)N1CCC(C(=O)OC)CC1)c1ccc(Br)cc1 1475334601 UCSCZWJBVJAKGR-OAHLLOKOSA-N 415.309 1.843 30 10 HDEE Cn1cc(I)c(CNC(=O)NCC#C[C@@H]2CCCCO2)n1 1478629042 VMGOHZBRRBOTOK-NSHDSACASA-N 402.236 1.396 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1493741377 WRGJHDAPFZMOIC-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@](C)(C#N)C1 1503279544 IHHNSPPILPDESY-CRAIPNDOSA-N 410.544 1.241 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(C)CN(C)C1=O 1507521154 VUINKOKHSOFNLN-GTNSWQLSSA-N 405.300 1.972 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccsc2)CC1 1507724247 ALZOTUNZLBSOAE-FQEVSTJZSA-N 411.535 1.403 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2C[C@H]2CCOC[C@H]2OC)CC1 1507727087 GRIGZNHEOXTCJK-RTBURBONSA-N 415.563 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCN2CCSCC2)CC1 1507737199 ZYGQKCDBZMJBLK-QGZVFWFLSA-N 418.611 1.806 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC=CCC2)CC1 1507739933 GZTGQXZFHPLLRG-GOSISDBHSA-N 424.549 1.723 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CC2)CC1 1507791018 GTOMNFBGLHCBGQ-MOPGFXCFSA-N 416.570 1.930 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)CC1 1507902577 KRYDJBXFLQEVKA-MRXNPFEDSA-N 419.555 1.344 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1507906533 LGGBTDLVMUBQNK-CZIZESTLSA-N 422.493 1.607 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2nc(C)cs2)CC1 1508082997 YIIHKBMHDUGBJV-UHFFFAOYSA-N 424.534 1.734 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(CCC)C(=O)C1 1508084066 GTCDGPCYKCYQAB-UHFFFAOYSA-N 416.551 1.681 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1508132565 ZSVLEXMCULDHHF-UHFFFAOYSA-N 409.556 1.594 30 10 HDEE CCC(CC)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1513281330 HQTOUFCTRPKVNX-ZWKOTPCHSA-N 417.558 1.609 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1515095031 DTSVAUVWNNHGOE-GOSISDBHSA-N 409.494 1.448 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1516194790 HJPJOCADUHSGOA-AHRSYUTCSA-N 405.499 1.476 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1O 1518281449 HKDRUXIYBCTWOE-UKRRQHHQSA-N 419.507 1.681 30 10 HDEE N#CC1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCSCC1 1525421913 ZOOVEYAPLAYJOM-QGZVFWFLSA-N 419.522 1.996 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)c2nnn(C)c2C(F)(F)F)cc1 1525594459 REEMYFDUVFNHIM-UHFFFAOYSA-N 403.386 1.893 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2OC)CCCN1C(=O)OC(C)(C)C 1531664804 UIZCNJHUQIAQMI-QWQRMKEZSA-N 402.513 1.260 30 10 HDEE Cn1cc(S(=O)(=O)N2CCCCC2)cc1C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1532954436 LZPPHTHRCPCBLT-GOSISDBHSA-N 412.515 1.969 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOC[C@@H]3CC3CC3)CC2)cc1 1538456992 NMFZSQXYTGLUKY-IBGZPJMESA-N 417.531 1.986 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1538971615 HQQJCNRYHGLMIB-HUUCEWRRSA-N 405.524 1.541 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cnn(Cc2ccccc2)c1 1539361727 CLNYICMQNVBSTK-IBGZPJMESA-N 403.490 1.982 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCCC2)CCOCC1 1539361938 JWLJENHROFBCHH-KRWDZBQOSA-N 400.527 1.334 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(CC)c2)CC1 1539438240 STCDNXOHVPGKEZ-UHFFFAOYSA-N 400.490 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1539538515 JQHLWPNLRDAKDS-JTDSTZFVSA-N 421.567 1.697 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539793457 FJXNVXPACGXHLL-GOSISDBHSA-N 416.873 1.302 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C(N)=O)cc2)C1 1540891333 SLBDQCKMEVKHJX-IAGOWNOFSA-N 410.478 1.158 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nncn2C)C1 1540895573 VKKMUEAINCUCRX-SFHVURJKSA-N 409.494 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC(OCC2CC2)CC1 1540902381 ICFQPGIUTBMFOT-KRWDZBQOSA-N 424.567 1.778 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1541292613 HHOWJJOBRJTVTK-YLJYHZDGSA-N 417.535 1.847 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)[C@H]1CCS(=O)(=O)C1 1542211165 NIMPXVQOWMSMRI-ZDUSSCGKSA-N 403.460 1.356 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N3CCN(CC#N)CC3)nn2)CC1 1544073215 VWKDSBJZYKTWFT-MRXNPFEDSA-N 417.514 1.522 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnc(O)n2C)c1 1544608617 SJZNZGZWLIDWQR-PGMHBOJBSA-N 405.480 1.971 30 10 HDEE N#CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCC(F)F)CC1 1555989516 AJXQNVHCJJALRG-UHFFFAOYSA-N 421.408 1.127 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nn(-c3ccc(F)cc3F)cc2O)n1 1556460722 AKNPLEQZTKJXRR-UHFFFAOYSA-N 415.400 1.975 30 10 HDEE O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N[C@H]1CCN(O)C1=O 1556749495 INNLSWPZSRCTCM-AWPPVZKDSA-N 411.530 1.836 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nc(C(C)C)nn2C)s1 1558317716 MWJVQRBZHMYHET-UHFFFAOYSA-N 411.553 1.366 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1)C(=O)OCC 1561573763 HLGIDVCKTRQAQG-CQSZACIVSA-N 404.510 1.079 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2Br)CC1 1561765243 ZFYVZNDWVBWCMY-UHFFFAOYSA-N 402.266 1.385 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2=O)cc1 1564547946 YYMZCHPITWJCRS-NXCDMZCRSA-N 416.503 1.461 30 10 HDEE COCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1565606230 TVDSHFSODBJBJE-BATSVXPKSA-N 406.527 1.564 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)C1 1567388040 NRERPLHBXKIMFS-BZSNNMDCSA-N 412.490 1.910 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cn1 1570498172 FHXFWSZVISLYFM-GFCCVEGCSA-N 401.448 1.241 30 10 HDEE CC[C@H](CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1570703213 LLWFUGOGAYKXEI-HIFRSBDPSA-N 409.508 1.455 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)CNC(=O)c4ccncc4)CC3)n[nH]2)cc1 1583847816 FSIRKUJXCVEXED-UHFFFAOYSA-N 415.457 1.422 30 10 HDEE C=CCCSCCNC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1585683399 ACLXRUFAGIJSPD-UHFFFAOYSA-N 400.570 1.555 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(Cn2cccn2)cc1)c1cc[nH]n1 1586809701 SEXUQKKAVVHATN-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE CCN(CC)CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1587757400 OEMAOVBJUDBSNQ-HNNXBMFYSA-N 411.499 1.696 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CCC(N)=O)CC1 1587766166 PUMODHNXRJNHPT-KRWDZBQOSA-N 421.567 1.466 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1588162726 ZBFFWXPRUKKWTF-UHFFFAOYSA-N 414.473 1.563 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCn1cc(Cl)cn1 1588186143 SYPPTRRXFGBDMT-FQEVSTJZSA-N 416.913 1.943 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCCCC2=O)CC1 1588800459 HNSODOMFBOMLRF-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589557385 HQBMUCYPFJLEGC-WIYYLYMNSA-N 416.570 1.422 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn3ccccc23)C1 1595665073 OBVYFQORYDJTQY-QGZVFWFLSA-N 409.494 1.894 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCN2CCCC2)C1 1595723015 PXAOBSUTRBGVCW-ZWKOTPCHSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595797765 IILUHFKWZJDUCC-STQMWFEESA-N 424.445 1.150 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cc(OC)ccc1OC(F)F)c1cc[nH]n1 1596142220 FNGFGCNJEZEOPQ-UHFFFAOYSA-N 412.349 1.942 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1596978000 KZNUGNJEZIVDDE-MRXNPFEDSA-N 403.483 1.897 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCOC1CCOCC1 1597211398 NZZFKIGPXYYNDC-UHFFFAOYSA-N 423.535 1.597 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1610087527 TVWVGTNWKKDFAD-CQSZACIVSA-N 410.496 1.360 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613238231 ODFKBBFZWOFYNA-PTKITFPTSA-N 401.446 1.760 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1619536845 BYDYEWBGNAJBLP-YXJHDRRASA-N 412.498 1.015 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2OC)CC1 1622131420 IFSGDGDUDYYLFF-UHFFFAOYSA-N 402.856 1.825 30 10 HDEE C=C(C)C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OC 1624257088 QKGGAAKSUZYGDA-OAHLLOKOSA-N 413.496 1.316 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)OC)s1 1625753728 OEWRIWMXTHTFML-TZMCWYRMSA-N 400.522 1.555 30 10 HDEE CN1C(=O)CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1=O 1627041067 IOLHRYSZTIPEQH-SWYHEXNPSA-N 404.467 1.037 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H]2CSCC(=O)N2)CC1 1628596326 AJXAVODXXADEBY-GJZGRUSLSA-N 423.336 1.390 30 10 HDEE C=CCNc1ncc(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)s1 1630377083 AIKCFSXJSRBTEX-UHFFFAOYSA-N 423.516 1.759 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2c3c(nn2C)CCS(=O)(=O)C3)C1 1631336283 TVSSJJMXGJUCEN-INIZCTEOSA-N 413.503 1.114 30 10 HDEE C[C@H]1NC(C(=O)N2CCC(c3ccc(C#N)cn3)CC2)=NN(c2ccccc2)C1=O 1633493261 KGSFDWSFRMYWNJ-OAHLLOKOSA-N 402.458 1.998 30 10 HDEE C[C@@H](O)c1cn(C2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)nn1 1633580586 FNAHGMGAAMXFTJ-UKRRQHHQSA-N 406.487 1.692 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1B1OC(C)(C)C(C)(C)O1 1635629353 JZXGMJIOJXMDED-OAQYLSRUSA-N 413.283 1.108 30 10 HDEE C=C(C)CONC(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1636607466 WWLBLCBFRKUJMK-UHFFFAOYSA-N 413.496 1.664 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 1636839005 QDXGPCZGEGKBDR-SFHVURJKSA-N 400.456 1.804 30 10 HDEE CN(CCNC(=O)c1cccc(CNc2ncccc2C#N)c1)CCS(C)(=O)=O 1637167207 KKGPFNFLXVPZBR-UHFFFAOYSA-N 415.519 1.272 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC#C[C@H]2CCCCO2)c1 1637186329 RAIBDVOORNGFPV-CQSZACIVSA-N 414.911 1.567 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637512647 AHKAPJPLQWXRBC-VIFPVBQESA-N 424.383 1.383 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN([C@H](C(N)=O)c3ccc(C#N)cc3)C2)C1 1644492070 JCSZFMYYZHYPGO-UWJYYQICSA-N 400.479 1.796 30 10 HDEE CCOc1cccnc1N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1644511846 ROXPAAWZELUSEV-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NC(=O)c2ccccc2OC)C1 1644638670 WZYOVABDOJVITR-WMZOPIPTSA-N 403.548 1.761 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1645671405 BWSAVBKBOPVDPD-OAQYLSRUSA-N 403.527 1.078 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@H](c4cnccn4)C3)C2=O)cc1 1646562505 LQZYAZBBDXSDJS-WBVHZDCISA-N 404.430 1.569 30 10 HDEE C[C@@](O)(C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cccc(C(F)(F)F)c1 1648028735 MBHNQDAXCKSUOE-KRWDZBQOSA-N 408.336 1.130 30 10 HDEE Cn1c(=O)[nH]c(N2CCCC[C@@H]2C2(CNC(=O)OC(C)(C)C)CCC2)c(C#N)c1=O 1651463283 KWHZQWCLWIGLTF-OAHLLOKOSA-N 417.510 1.999 30 10 HDEE COc1ccccc1[C@@H](C)N(C)C(=O)Cn1cc(CN2CCOCC2)cc(C#N)c1=O 1651996608 HAIZMDLELWCRDD-QGZVFWFLSA-N 424.501 1.780 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1652290133 SPIWTDAMFXULJS-LJQANCHMSA-N 424.476 1.738 30 10 HDEE N#CCCN(CCC#N)C(=O)Cn1cc(Cl)cc(I)c1=O 1656570000 ZDDNQWAMNILNCH-UHFFFAOYSA-N 418.622 1.762 30 10 HDEE CS(=O)(=O)[C@@H]1CN(C[C@H](O)COc2ccc(CC#N)cc2)C[C@H]1C(F)(F)F 1659409124 OIGWVOWCNWMXBV-NUEKZKHPSA-N 406.426 1.400 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c(Cl)nccc23)CC1 1661799533 KFCVKYHYKJLKEG-UHFFFAOYSA-N 407.883 1.505 30 10 HDEE CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1665900179 YGGLTMXDOFFHNZ-SWLSCSKDSA-N 402.881 1.101 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1667315148 FJQUVJUBLFUJHA-UXLLHSPISA-N 409.508 1.644 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O 1668896655 FMZAMZYOXSJGLX-MAUKXSAKSA-N 422.503 1.200 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)CCO1 1672489505 IPFGWVXWEUBHNJ-OAHLLOKOSA-N 405.398 1.933 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Nc2ccc(C(=O)OC)cc2OCCOC)C1=O 1673798142 ZVWDFWNQCUCKEM-MRXNPFEDSA-N 405.451 1.749 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1681287480 KKFDMNIZUPPFDS-AWEZNQCLSA-N 401.492 1.677 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC3(CCOCc4ccccc4)CC3)C2)c(=O)nc1O 1681837795 LJJRDHNQHBPOID-UHFFFAOYSA-N 423.473 1.774 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)C1 1685176797 CXSVEMPFCDMDMZ-AQNXPRMDSA-N 403.571 1.106 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(N2CCOCC2)CC1 1689824118 IJCYSDWTMMAWPJ-MRXNPFEDSA-N 402.543 1.519 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689984301 NEDOFAOSUGDRMS-HNNXBMFYSA-N 404.492 1.388 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCC(=O)N(C)C 1690095599 WUJDXNLMAIEOKA-UHFFFAOYSA-N 423.315 1.600 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690167995 SMAXNPRZOAPGFF-INIZCTEOSA-N 411.491 1.976 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690169916 SAYZOPOUCGTEQK-KRWDZBQOSA-N 413.551 1.636 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(C)n1 1690210977 OYNYNELRISPANL-LJQANCHMSA-N 410.507 1.439 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(=O)(=O)CC 1690521451 ZDAUSINBAJDSMW-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@@H]3[C@@H](C2)C3(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1690677220 RIBVOGFXPYOEBO-WHSLLNHNSA-N 403.527 1.713 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cncn2)C1 1690688582 XTQHHROLPOGPGL-VQIMIIECSA-N 403.487 1.003 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690722424 IYIAWJKLRNQSFQ-CRAIPNDOSA-N 419.551 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@H]3CC[C@H]2C3)nnc1[C@]1(OC(C)C)CCOC1 1690731204 CNEQXFOSPBAAHX-ZWOKBUDYSA-N 424.567 1.908 30 10 HDEE CC(=O)N1CC[C@H](CN(C)c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1690794292 MTBCKWUFDKFKIX-GOSISDBHSA-N 424.505 1.558 30 10 HDEE CC(C)c1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1691682793 JKMMXWFSQBFRCW-HTXNQAPBSA-N 402.499 1.791 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCc2ccccc21 1705574648 JHSSSSVDTDCNGG-ZEQRLZLVSA-N 420.513 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1705598420 JJHDVMVJFJAAPQ-LJQANCHMSA-N 412.515 1.184 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)C1CC1 1705601531 MHRLWNZPZFQSJY-OAQYLSRUSA-N 411.531 1.894 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](Cc2ccccc2)OC)CC1 1705639430 NWSSXFXWSFDLNL-LEWJYISDSA-N 409.534 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2[C@@H]2C[C@H]2C(C)C)CC1 1705644438 QPSRQQZYUWOACP-DLBZAZTESA-N 400.527 1.599 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N2CCOCC2)C1 1705923235 BQLJXHFSCRWPTL-KRWDZBQOSA-N 405.543 1.897 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccccc3CC)n2Cc2nnn(C)n2)C1 1705929754 WZWPDDWJWCRLNQ-QGZVFWFLSA-N 424.509 1.773 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C 1705935336 NVRICJJFIWVSII-INIZCTEOSA-N 419.551 1.868 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1706070349 LAACHPCFRPWYON-QLFBSQMISA-N 420.543 1.258 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)C1CC1 1706076549 FTIUYXKINWTYJH-KSSFIOAISA-N 410.478 1.913 30 10 HDEE COC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1)OC 1712156132 AFUMQUMDNXFNLN-IAGOWNOFSA-N 401.467 1.268 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722285820 YHHTVBSDRLZWOR-FOIQADDNSA-N 402.520 1.515 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1722320043 RSGVILADGGOQDY-WOJBJXKFSA-N 400.571 1.802 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722336677 OKFMAIMVAHACKX-QGZVFWFLSA-N 408.510 1.376 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCN(CC)CC2)nc1 1722342022 QNVZTXAVKJVFTA-UHFFFAOYSA-N 424.553 1.071 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1722352014 TWWFXUZBWREOQB-UHFFFAOYSA-N 402.520 1.772 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCS(C)(=O)=O 1722423992 XJKVMEXTKFNDPX-UHFFFAOYSA-N 413.503 1.624 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722458894 WMMAHKURCUBXOT-HNNXBMFYSA-N 411.597 1.630 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1722460773 ZBNUKNDBDLEGGP-MSOLQXFVSA-N 405.568 1.843 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CN(CC(C)C)CCO2)C1 1722717561 BYVCSILQPPKPGA-AQNXPRMDSA-N 419.570 1.920 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1729304428 GYMVZQJGIOQLIM-UHFFFAOYSA-N 423.477 1.374 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(Cc2nc(COC)no2)CC1 1733368795 BATHWJXKRIEMCA-SUFIHLRJSA-N 400.479 1.066 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740623510 VQJJXPISNSCPNR-QGZVFWFLSA-N 417.535 1.702 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1740639973 HLYMAGXKZYGKCZ-OAHLLOKOSA-N 401.492 1.160 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)[C@@H](C)CC 1740645884 MYXRYAREEDPPGS-TXPKVOOTSA-N 409.556 1.148 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCC1 1740676222 VVGFDKYSTHYGJG-HOTGVXAUSA-N 410.540 1.429 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](COC)OC)CC1 1740696833 HVPRARAGWYNAGJ-LJQANCHMSA-N 401.486 1.425 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740745769 FAYYAYFWIKQDMN-ZDUSSCGKSA-N 405.300 1.839 30 10 HDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)C1 1740746504 LJPQNSSUWKUOKU-UHFFFAOYSA-N 411.329 1.821 30 10 HDEE C=C1CCN(c2nnc(CCc3ccccc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740828536 ODSOVDGBKWTVEU-OAQYLSRUSA-N 416.547 1.769 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(Cn2cccn2)CC1 1740960553 UUEJETANWISGNN-GOSISDBHSA-N 413.526 1.587 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCO[C@@H]1CCOC1 1744692359 MZDCPKNBVFKRKR-GOSISDBHSA-N 411.510 1.629 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1748803951 BIRNBAFYSKJLFL-JKSUJKDBSA-N 421.567 1.464 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1748816928 BAYJVERBCCKJCJ-ROUUACIJSA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OCCOC 1748847346 SPCQHRMVDGVYKM-IBGZPJMESA-N 409.490 1.713 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1749455444 WBCXLCFIMDNAKA-SFHVURJKSA-N 402.543 1.491 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@H](Nc2cc(OC)cc(OC)c2)C1 1749652375 MOHUZBGYNDMIFF-INIZCTEOSA-N 414.510 1.987 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](OC)C(C)(C)C1 1749667082 SKXYCLXGZHBQSE-HNNXBMFYSA-N 416.482 1.169 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1cnccn1 1749680546 MJNHJVMGFHHZNA-UHFFFAOYSA-N 411.441 1.725 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CCCC3)n2CC(=O)N2CCOCC2)C1 1749717483 LPWFOQCLHBYGAG-SFHVURJKSA-N 403.527 1.651 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1750060039 JHCJJRDHDQCKFG-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)cc1 1750222730 HLBABMAPEOTROE-ADKRDUOOSA-N 410.503 1.929 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CC=CCO1 1751206957 KDAORALJSPRPSG-HOCLYGCPSA-N 408.528 1.363 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCc2cnn(C)n2)cc1 1751572604 HBZLGEKATUNHCD-IBGZPJMESA-N 422.493 1.656 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)c1 1751653127 UDJCHJHIDAXJKM-QZTJIDSGSA-N 424.505 1.809 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@](C)(O)c1ccccc1 1751930114 GIIMVLKUWZILHG-OPAMFIHVSA-N 418.505 1.871 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=C)C)[C@H]1CCS(=O)(=O)C1 1760180390 DECWWJBAXQESCW-QFBILLFUSA-N 408.524 1.133 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2nsnc2c1 1760217454 BNAKEOVPOGHGTG-MRXNPFEDSA-N 405.487 1.745 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCOC[C@@H]2C)CC1 1760265016 LBHGRFWXDFQUNG-MUGJNUQGSA-N 417.554 1.430 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)C(C)C)CC1 1760268090 CCZXUGXINQFBGH-UHFFFAOYSA-N 410.526 1.041 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1760381083 YFCHFJVIEIKGLP-CQSZACIVSA-N 403.936 1.648 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1760400772 NDOLWNOJWPLCJA-HOTGVXAUSA-N 407.540 1.456 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C1 1766497684 HXQARRFZFSMSCG-QGZVFWFLSA-N 412.494 1.728 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CCC2)nnc1N1CCO[C@H](C#N)C1 1768426886 ATXIWJKOVTWGOJ-QZTJIDSGSA-N 415.542 1.217 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1)OC 1769237513 GTXSINYXLRTJRQ-RTBURBONSA-N 422.493 1.911 30 10 HDEE COCC[C@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1769570161 BODOLHBCGRKQMZ-FIKGOQFSSA-N 421.542 1.920 30 10 HDEE COC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772788918 JORSTOQHGMOASL-IYVRIMFBSA-N 418.402 1.587 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CCNS(=O)(=O)c3ccccc3F)CC2)CC1 1848837918 QDRJKQWKZIKRNR-UHFFFAOYSA-N 422.526 1.721 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3nnn4c3CO[C@@H](c3ccccc3)C4)CO2)nc1 1851290851 IXXJUPSCQJYYBB-SJLPKXTDSA-N 418.413 1.793 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3cnoc3-c3ccccn3)CC2)nc1 1851952493 PRLPUPKGWOFXLY-UHFFFAOYSA-N 404.430 1.982 30 10 HDEE COc1c(Cl)ccnc1CN(C)CC(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1852164624 VBUQNQJCAHPBGO-AWEZNQCLSA-N 417.853 1.806 30 10 HDEE C#CCN(C(=O)Cn1nc(C)c(S(=O)(=O)N(C)C)c1C)[C@@H]1CCc2ccccc21 1853121655 VNZZRTOHCRMNSA-LJQANCHMSA-N 414.531 1.900 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCn2cnc3ccccc32)C1=O)[C@@H]1CCN(C)C1=O 1854282440 IRWXSNKWABDORS-MOPGFXCFSA-N 409.490 1.273 30 10 HDEE Cc1noc(C)c1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854353537 NXIZXGRSRQZNMG-LJQANCHMSA-N 407.474 1.722 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCC[C@@H](Cn4nccn4)C3)C2=O)cc1 1854633329 OXTIVLXNSXWPSM-UXHICEINSA-N 406.490 1.622 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)CCC(F)(F)F 1854789248 NWWMUCYBXFVMCK-LLVKDONJSA-N 403.382 1.513 30 10 HDEE Cc1cnn(CCN2CCC([C@@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)c1 1855074656 YMOQESKAFUFXQD-LJQANCHMSA-N 406.490 1.859 30 10 HDEE Cc1cc(N2CCN(C[C@@H]3CC(=O)N(C(=O)c4cccc(C#N)c4)C3)CC2)ncn1 1855889020 MHOUFCHIWZSSLW-SFHVURJKSA-N 404.474 1.468 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(CC)CCn3ccnn3)ccc21 1856168677 CEJNOTMDYRCSAW-UHFFFAOYSA-N 417.491 1.371 30 10 HDEE C=CCCC(=O)N1CCN([C@H]2CCN(S(=O)(=O)c3cc(C)ccc3C)C2)CC1=O 1856370601 LOKWHHYRQQWDJH-SFHVURJKSA-N 419.547 1.703 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3c(F)cccc3F)C2)C1 1856381241 NIGZMCRTHPOPRN-ZDUSSCGKSA-N 412.396 1.983 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cnc4ccccn4c3=O)C1)CC2 1857207709 RTEIYTAGNDCABM-CVEARBPZSA-N 405.458 1.309 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cncn3)C2)CC1 1857212288 KJJVKEWERBVKAZ-INIZCTEOSA-N 407.478 1.190 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@H]1CCN(C)C1=O 1857225329 BPEQFRFWMXEKTG-WBVHZDCISA-N 404.536 1.478 30 10 HDEE CCCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)cc1 1857232649 ZZFWRRHSVLDXEB-UHFFFAOYSA-N 412.471 1.579 30 10 HDEE Oc1c(Br)cc(Cl)cc1/C=N/NC(=S)NCCN1CCOCC1 1860500248 MIIKQJCPSBHMDN-GIJQJNRQSA-N 421.748 1.938 30 10 HDEE C=CCOc1ccccc1OCc1nnc2sc(CCNC(=O)COC)nn12 1874787628 RRGNCSKLZGYGKB-UHFFFAOYSA-N 403.464 1.635 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccc(C#N)c(F)c3)CC2)cc1 1891212333 BTRXKVUVDQZQMX-UHFFFAOYSA-N 405.437 1.940 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2C[C@@H]3CN(C)C[C@@H]3C2)[C@@H]1c1ccc(C#N)cc1 1891940974 JNSMZGITGJLIIM-YHELAOLJSA-N 412.559 1.972 30 10 HDEE CC(C)(C)OC(=O)NC1(CNCc2occc2B2OC(C)(C)C(C)(C)O2)COC1 1975551241 VLPFBWHCEGAWLX-UHFFFAOYSA-N 408.304 1.962 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010395995 LPGYGIVQGRAAHU-UHFFFAOYSA-N 422.291 1.256 30 10 HDEE CC1(C)OB(c2cnc(N3CCn4nncc4C3)c(Br)c2)OC1(C)C 2130050959 YBMVSGSUROXRQD-UHFFFAOYSA-N 406.093 1.755 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)C1 2142142052 BMTHGAFJKDKPPW-FFEBTUMSSA-N 418.519 1.904 30 10 HDEE N#CC1CN(S(=O)(=O)Nc2cc(I)cc(C(=O)O)c2)C1 2164588766 FUAJPZSBTYUIDC-UHFFFAOYSA-N 407.189 1.101 30 10 HDEE COC(=O)[C@H](C1CC1)S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2167095078 MTDSYVOPEWVKSF-NSHDSACASA-N 402.303 1.136 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C#N)cc1Cl 2181083191 JLMXAZHZIOHVCK-CHWSQXEVSA-N 415.899 1.860 30 10 HDEE Cc1c(C(=O)NCCNC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2243421883 SPSGXBGQBBMVDY-UHFFFAOYSA-N 408.308 1.282 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243684514 AXPDVGGNXXSNRG-FQEVSTJZSA-N 408.304 1.357 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247815865 HKGIAQIYJJGZFC-LBPRGKRZSA-N 423.323 1.005 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCC1 2247826465 UWBSFRGNTBQKDK-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE Cn1nc(C(=O)N(OCc2ccccc2)C2CNC2)cc1B1OC(C)(C)C(C)(C)O1 2247920792 DCCKTHVOCZAOFK-UHFFFAOYSA-N 412.299 1.265 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NOCCNC(=O)OC(C)(C)C 2247929306 LIHPNTDSGPVNOI-UHFFFAOYSA-N 423.319 1.993 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2267368085 DEQBBAIVEKBNNX-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CNCCSC3)s2)OC1(C)C 2267720726 MDGSLCCPYVAORX-LLVKDONJSA-N 404.388 1.031 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](CO)[C@@H](CO)C3)sc2Cl)OC1(C)C 2281975664 QDIBYFSEJRVSPS-GHMZBOCLSA-N 401.721 1.374 30 10 HDEE CC(C)S(=O)(=O)CCN(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282056505 SXOHEMNMELVMDM-UHFFFAOYSA-N 402.347 1.338 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282302673 YBBFEFSOHXGQNV-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE CO[C@](C)(CO)CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282325826 JZWSYAZLGAIIRC-INIZCTEOSA-N 405.347 1.031 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@@H](CCN)C3)s2)OC1(C)C 2282332383 ZWQCVVZSXZKGIH-STQMWFEESA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@]34COC[C@@H]3C4(F)F)s2)OC1(C)C 2282332729 FZSGLFIJSFGLHP-LKFCYVNXSA-N 407.269 1.360 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@H](CN)C3)c2)OC1(C)C 2282337245 KCYQHEAFIDKVMC-CYBMUJFWSA-N 400.375 1.797 30 10 HDEE C[C@@H](CC[S@](C)=O)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282341473 SOEUCWANZALFHZ-CANCMXDXSA-N 401.359 1.421 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC3CN(CC(F)F)C3)c2)OC1(C)C 2282348523 MLBGTUDUNGQEKW-UHFFFAOYSA-N 408.301 1.275 30 10 HDEE COC[C@H](C)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282410753 YDEYXWUUVPFUMY-GFCCVEGCSA-N 404.363 1.534 30 10 HDEE COC[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282492484 OXCPXIBFEAQUOX-STQMWFEESA-N 401.359 1.950 30 10 HDEE C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494058 XAVJUOSLMPNOLP-IAQYHMDHSA-N 400.737 1.525 30 10 HDEE CC(C)[C@H](CCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282497730 ULSRAGUJTBKYER-LBPRGKRZSA-N 404.363 1.269 30 10 HDEE CO[C@H]1CCCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282502224 ICRYUGQJUBMBTB-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE CC(C)[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282505286 BAGAGKGFJBHOSS-CQSZACIVSA-N 403.737 1.934 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2C[C@@H]2C(F)F)OC1(C)C 2282832276 MMYWJUGBHKARJD-UWVGGRQHSA-N 408.301 1.763 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CO[C@H]3C[C@@H]2C3)OC1(C)C 2282846067 CWDHSRPFQXVDKH-GRYCIOLGSA-N 400.331 1.039 30 10 HDEE C[C@@H]1CN[C@H](C)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282853078 YEXJUXMWUIPZSP-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CC1(C)[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869921 KETKPJQUCJDZEX-CYBMUJFWSA-N 401.359 1.722 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(S)n2N=Cc2cc([N+](=O)[O-])c(O)cc2O)CC1=O 2322122953 NRHACDANPUUOML-JTQLQIEISA-N 420.451 1.883 30 10 HDEE NC(=O)CSc1nnc(COCc2ccccc2)n1N=Cc1ccc(O)c(O)c1 2329322926 GTICIQJBWFAOIT-UHFFFAOYSA-N 413.459 1.866 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cccc([N+](=O)[O-])c1 2331260647 VEBWUTIEDHOTER-UHFFFAOYSA-N 406.468 1.876 30 10 HDEE C#C[C@H](C)N1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2336958920 HPNCCYJITXFQRC-KRWDZBQOSA-N 417.531 1.422 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365211765 NIOOWNMXOPDOSH-NRTGNBEESA-N 402.557 1.537 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2367090109 BLLKIUSTAXEZBI-QMTMVMCOSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](C#CC2(S(C)(=O)=O)CCC2)OCC(=O)O)CC1 2367788076 MTPCQPHOAOHGLY-ZDUSSCGKSA-N 401.481 1.484 30 10 HDEE C[C@H](C[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O)NC(=O)OC(C)(C)C 2367790742 WOMULRROROVSGB-KGLIPLIRSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367790939 IFNRCGLKPJNMJL-XHSDSOJGSA-N 400.541 1.475 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367829985 FGCKCNJDCFUQON-PMPSAXMXSA-N 402.557 1.586 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@H]1CNC[C@H]1F 2369653521 AYWQFCHVZYNYIH-NEPJUHHUSA-N 404.338 1.286 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)N2CC(C#N)C2)[C@H]1C(F)(F)F 2370221212 JZBGKQAKHOTJFO-RYUDHWBXSA-N 412.434 1.607 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC)c1 16557384 ITWQXGZUUFDJIF-UHFFFAOYSA-N 402.428 1.402 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 238870607 MURFKFAUBVTCCV-RHSMWYFYSA-N 409.421 1.910 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(C(=O)c2ccc(F)cc2)CC1 301365570 SFGLDQNXCLAIKQ-UHFFFAOYSA-N 402.451 1.697 30 10 HDEE CSC1(C(N)=NO)CCN(S(=O)(=O)CCCOCc2ccccc2)CC1 311525786 FXCUJBRTUBWEJH-UHFFFAOYSA-N 401.554 1.867 30 10 HDEE Cc1cc(N2CC[C@@H](N3CCN(c4oc(-c5ccco5)nc4C#N)CC3)C2=O)n(C)n1 438690483 JGOLBQMCWXMCOP-MRXNPFEDSA-N 421.461 1.776 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@@H]2C 440150148 XJTRJEGVJQXTFK-CQSZACIVSA-N 401.492 1.791 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(-c3noc(C(F)F)n3)cc2)C1=O 440239653 GUHMVVZQPJAKLU-CYBMUJFWSA-N 419.388 1.858 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C(=O)OC(C)(C)C)C1=O 440246748 TXRRRLXVALMUAM-MRXNPFEDSA-N 401.463 1.826 30 10 HDEE Cc1noc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3C#N)CC2)n1 443024184 UNEZRLXWOWMZMR-UHFFFAOYSA-N 415.397 1.775 30 10 HDEE COc1cc(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3OC)CC2)ncn1 461352071 KARJDDFEINWIAG-QGZVFWFLSA-N 424.505 1.951 30 10 HDEE Cc1nn(C)c(C)c1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466585645 BDRWWIDRJIIRMB-UHFFFAOYSA-N 416.507 1.125 30 10 HDEE Cn1ccnc(N2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)c1=O 467173473 CRDUTYZBCPEKRC-UHFFFAOYSA-N 400.870 1.456 30 10 HDEE Cc1nc(SCC(=O)N2CCN(CCC(=O)N(C)C)CC2)c(C#N)c(C)c1C 473424825 ALDMKORRSNSNGT-UHFFFAOYSA-N 403.552 1.593 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3noc(C(C)(C)C)n3)CC2)cc1C#N 489570066 LHNBQSHTDDVCGO-UHFFFAOYSA-N 404.496 1.449 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-n3cncn3)nc2)cc1 503703679 LLMNQTRHAHPBCR-INIZCTEOSA-N 405.443 1.688 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccc(Br)cc3O)CC2)c1C#N 505659586 HWUPJQWQNKKNLV-UHFFFAOYSA-N 418.295 1.960 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 508815521 BLXNACGUURCQOE-IAGOWNOFSA-N 411.510 1.658 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508828952 XALFWCOFDXYLNY-IBGZPJMESA-N 408.506 1.541 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508920800 JYYKWLKJOBPOMO-LLVKDONJSA-N 418.445 1.755 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CC(=O)Nc2ccccc2)CC1 508999536 HEHGMFLKIKMODD-SFHVURJKSA-N 412.494 1.313 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)NCC(C)(C)C#N)CC3)C2=O)n(C)n1 512902787 RSMRRVOBXSGWHL-INIZCTEOSA-N 401.515 1.101 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NCC(C)C)cc2)CC1 522844570 AIYLSSBKPOKIJY-UHFFFAOYSA-N 401.511 1.524 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCNC(=O)c3cccc(F)c3)CC2)n1 546223027 TUIYXISVBUWOAX-UHFFFAOYSA-N 410.453 1.744 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 549688564 QTCNHWFKOKDGJM-HZPDHXFCSA-N 407.544 1.811 30 10 HDEE CSc1nn(C)c(NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c1C(N)=O 566077129 KVNLSDORWSQTFK-UHFFFAOYSA-N 414.491 1.906 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N[C@H](C)CC)nc1C 586304278 NUJWBNNGUMAIQO-AFNXNYLOSA-N 401.510 1.396 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 587866633 HBMUIAZOBGTTCL-ZSDSOXJFSA-N 413.453 1.360 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC2(c3noc(C(F)F)n3)CCC2)cc1 590434820 SYTMPEFVBZUISU-UHFFFAOYSA-N 410.402 1.989 30 10 HDEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615455039 KXPRNRKZTYYUJL-LJQANCHMSA-N 414.487 1.242 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@@H](O)CC(F)(F)C2)c(C#N)cn1CCOC 615847969 ALSSWMSROOFVQZ-LBPRGKRZSA-N 400.382 1.417 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670196914 DNCVZDFAKJUOLP-QFBILLFUSA-N 412.542 1.244 30 10 HDEE C#CCN(C(=O)CSc1nccn1-c1ccccc1C)[C@H]1CCS(=O)(=O)C1 729331015 ISTRPEYQPVSDMK-INIZCTEOSA-N 403.529 1.922 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 729332047 SORLLKCGNRSXMR-AWEZNQCLSA-N 402.394 1.084 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 731988904 JRCKZHYIGNKOAG-GINYUPMKSA-N 421.482 1.866 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649870 BCCQFJJJQBUGGB-LJQANCHMSA-N 418.563 1.848 30 10 HDEE CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732663700 CNJPWAQEOZHCJT-KGLIPLIRSA-N 421.479 1.238 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746173341 CPRYAALWQGPEFK-MGPWXQLLSA-N 406.483 1.809 30 10 HDEE CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)CCN/C(O)=C1/N=CC=CC1=O 746296412 DDIHOQFPDSIKOS-ZCXUNETKSA-N 423.372 1.892 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)CON=CC(=O)Nc2ccccc2Cl)C1 749787664 VGQMYIKCBYFNEG-HNNXBMFYSA-N 410.902 1.754 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)c1 757015640 QTCNSFKOBJJZCF-QGZVFWFLSA-N 413.499 1.615 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCCN(C)C)SC1=Nc1ccccc1C#N 762508149 ABMMHLZNTJRGLM-GOSISDBHSA-N 411.531 1.971 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 763789215 XONLNKIYKQZKCT-ROUUACIJSA-N 418.471 1.417 30 10 HDEE Cn1cc([C@@H](O)C[C@@H]2CCCN2C(=O)Nc2cnn(-c3ncccc3C#N)c2)cn1 764741903 YQUWOSDJLXZIGS-ROUUACIJSA-N 406.450 1.992 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)O)c1 767162069 MTKVWPCBAKUKQF-MRXNPFEDSA-N 418.446 1.411 30 10 HDEE O=C(COC(=O)C1(N2CCOCC2)CCC1)NCC#Cc1cccc(C(F)(F)F)c1 769812957 COWCMDOEEDXSIO-UHFFFAOYSA-N 424.419 1.971 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)OC(=O)c1ccc(S(N)(=O)=O)cn1 769837221 PATNCJMZKPZJTI-GFCCVEGCSA-N 409.489 1.551 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cnc(CC(C)C)s2)c1=O 772898585 NGEORVMTKNOIJK-UHFFFAOYSA-N 414.556 1.532 30 10 HDEE C#CCN(C(=O)NCCN(CCC)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774260561 CYOARPWTAAYTPL-HNNXBMFYSA-N 401.529 1.465 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)CCCC1 779319040 ZHHMTVMULSRZJG-INIZCTEOSA-N 405.476 1.948 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(NC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780863682 XZIMVIJSGBZBMK-HXUWFJFHSA-N 413.499 1.870 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)cc1 780930689 DCGMLRFWZZMZHF-PKOBYXMFSA-N 417.462 1.700 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@H]2CCCN2c2ncnc3ccccc23)c1 783067493 XMHPRUFSGQAOTP-GOSISDBHSA-N 407.455 1.975 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc2c(=O)n3ccccc3nc2n1C 784514511 VHLWULTXLFONKE-UHFFFAOYSA-N 421.438 1.485 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 786374476 MYVMNDCMWSRRJR-JOCBIADPSA-N 418.833 1.838 30 10 HDEE CC(C)C(=O)N1CCC(C(=O)[C@@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787060584 OOMFGFIZLWQFQS-QGZVFWFLSA-N 400.435 1.814 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CN(C)S(=O)(=O)c2ccc(C)c(C)c2)n1 788820596 HUTOWOAPCATGMR-UHFFFAOYSA-N 402.520 1.802 30 10 HDEE O=[N+]([O-])c1cnc2c(c1)CN(CC#CCN1CCc3ncc([N+](=O)[O-])cc3C1)CC2 792876115 LNBWIWUEARDNGF-UHFFFAOYSA-N 408.418 1.713 30 10 HDEE CC(=NNC1=N[C@H]2CCCC[C@@H]2N1)c1ccc(Br)c(S(N)(=O)=O)c1 797402342 ZBNIOLHXAHGNLJ-STQMWFEESA-N 414.329 1.681 30 10 HDEE CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCc1ccc(C#N)cc1F 804162118 SSRMDUQTBFYJSW-UHFFFAOYSA-N 410.449 1.809 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)n1 806547144 WQPSICGWWZYTJT-UHFFFAOYSA-N 423.470 1.244 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 809893828 UAHUSORYBGWCRJ-CABCVRRESA-N 420.514 1.439 30 10 HDEE C#CCN(c1nnc(CCc2ccco2)n1C[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 812386071 LCHJZGKYAYSASX-IRXDYDNUSA-N 418.519 1.320 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3cnccc3C#N)CC2)CC1 813639494 AOYFEKJMAUCPGY-UHFFFAOYSA-N 400.483 1.794 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C3CC3)ncc2Br)CC1 813798833 GGAUZDDINOKAJY-UHFFFAOYSA-N 408.300 1.177 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)cc(C)c(CC(=O)O)c1C 871825777 BGIVPQJKDPPQLP-OAHLLOKOSA-N 413.517 1.050 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N([C@H](C)CN2CCCC2=O)C1=O 917680208 GTPZAXJDZIJEDX-IUODEOHRSA-N 406.483 1.904 30 10 HDEE CCOC(=O)CCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1130517940 AWRXSFAAAOKTBP-KRWDZBQOSA-N 414.462 1.953 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H](C)O1 1134429280 WGBGINTWZUCVFE-NVALYEJGSA-N 403.504 1.311 30 10 HDEE C[C@@H]1CCc2nc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c(C#N)cc2C1 1134928343 QBKIOAWTCWNNOL-LLVKDONJSA-N 400.464 1.161 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC(=O)N(C2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)C1 1145082585 OWLWTXKXCMBJRR-MRXNPFEDSA-N 412.490 1.677 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC3(C[C@H](O)CNC3=O)C2)cc1C 1154867758 WDVKUBSLIVLAND-KRWDZBQOSA-N 407.474 1.404 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CC2(n3cnnn3)CCOCC2)C1=O 1156414385 MRYHPTRLVCRKBO-SFHVURJKSA-N 421.502 1.271 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1[C@@H](c2cnn(C)c2)N(C)C(=O)[C@@H]1O)c1ccc(Cl)cc1F 1157507315 FKAYISFLRLLWBQ-YLFCFFPRSA-N 404.829 1.194 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)C(C)(C)c1ccc(C#N)cc1 1160986252 JUHIKAWGSHSPJX-UHFFFAOYSA-N 415.515 1.765 30 10 HDEE COC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1161372302 DIAHMEWHEMYXGX-QIJZBDPFSA-N 405.476 1.025 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(C(COC)COC)CC3)n[nH]2)c1C 1161734197 RQFCHPWGIFDTAW-UHFFFAOYSA-N 416.526 1.495 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC(Cn2cnnc2)CC1 1165427162 RBIHMWCZUJAKHL-UHFFFAOYSA-N 416.507 1.036 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(Cc2cccc(C(=O)OC)c2C#N)CCO1 1196554507 VCTSSYBOTXBYFG-OAQYLSRUSA-N 404.463 1.904 30 10 HDEE C#CCC1(NC(=O)N[C@H]2CCN(Cc3ccc(OC)cc3OC)C2=O)CCOCC1 1248552118 GNAMNHMYCBFMED-SFHVURJKSA-N 415.490 1.676 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CS(=O)(=O)Cc3ccccc32)CC1 1253402678 ZNUSCJLDRHMIKM-GOSISDBHSA-N 411.487 1.455 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1c(C(F)(F)F)cnn1C 1253638587 ORRWLSFCIRBZQX-LLVKDONJSA-N 408.388 1.521 30 10 HDEE COC(=O)[C@@H](CC(F)F)NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1253799076 BGBSPOHXOJDZRH-RXMQYKEDSA-N 409.258 1.758 30 10 HDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@]1(F)CCOC1 1258363580 FKDKIEKWIOXGDD-LPHOPBHVSA-N 423.466 1.637 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H]1CC[C@H](CO)O1 1286279426 MFXUOQOZAORAPN-HYVNUMGLSA-N 400.479 1.960 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2C[C@H]2CCC(=O)N2)c1 1286311426 HZTNRFIMKSXUMY-QZTJIDSGSA-N 422.489 1.464 30 10 HDEE C#CCCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286359605 FMGTZWFINAKLFD-NHCUHLMSSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CCC 1286365774 JBGOPTQDLPLUFD-FQEVSTJZSA-N 419.551 1.816 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccccc1F 1286464515 CBCNEXXQOCYCDM-WBVHZDCISA-N 415.469 1.922 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC1 1286466521 ZMHFDBYSLZIZST-GOSISDBHSA-N 403.527 1.123 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1286473489 MYNADHRVOOPUKE-NRFANRHFSA-N 412.925 1.832 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2COCCO2)CC1 1286476379 VNQLXOJWUCZPDA-MRXNPFEDSA-N 401.898 1.769 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCn2ccnc2C)CC1 1286478940 DYBJDFRFHVRGDJ-FQEVSTJZSA-N 411.554 1.913 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC2(O)CCC2)CC1 1286483332 HBVDHHCUOSRJDO-UHFFFAOYSA-N 409.534 1.742 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1286618558 CLZGTLYIKLCIMM-HNNXBMFYSA-N 419.917 1.835 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)c1ccco1 1286716988 PJFXEXPJXQGVGM-HXUWFJFHSA-N 403.483 1.964 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1C[C@]1(O)CCS(=O)(=O)C1 1286742421 KMHRKVTUANBXNU-LJQANCHMSA-N 401.492 1.200 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCO[C@@H]1C 1286764450 PMTUNLAZCKLEEI-LDBYXDLTSA-N 415.494 1.597 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1286816265 DSDVHMKMODRQTE-UHFFFAOYSA-N 411.572 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@H](C(=O)OC)C1 1286817470 SXQLLIMNCZJINC-CQSZACIVSA-N 422.482 1.684 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1286818479 XFWFHGPHMJQTIN-WBVHZDCISA-N 411.572 1.745 30 10 HDEE CC(C)(C)C1CC(n2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1287015345 UEDXKKNLEXBQLT-SLTXQBBLSA-N 407.540 1.906 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(O)CCN(C)C2)CCOC1 1288277428 QUNDEQHWPFCSBX-LSTHTHJFSA-N 406.531 1.124 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCCCS(C)(=O)=O)cn1 1298810538 DOYRIPPIJCGBQL-QGZVFWFLSA-N 409.491 1.335 30 10 HDEE COC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@@H](C)CC#N)CC1 1299423494 DTCNVTVDTIAXED-ZFWWWQNUSA-N 403.487 1.446 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CC(=O)N1CCOCC1 1300292467 JVTLZZHJQKMQLG-MRXNPFEDSA-N 404.474 1.810 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCCn1cc(CO)nn1 1300320198 GMRAXXPRGUOUMM-QGZVFWFLSA-N 409.494 1.798 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@H]1CCS(=O)(=O)C1 1300473433 WOQZQEYDDNESNF-QGZVFWFLSA-N 402.520 1.978 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)CC)CC1 1300695760 ITEZXFABMMIOFZ-UHFFFAOYSA-N 419.533 1.670 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](Cc2ccccc2)OC)CC1 1300698543 UVODANKFOVPLCB-PMACEKPBSA-N 422.533 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](F)COC)CC1 1300726840 SBWPAJRHGFSLKX-SFHVURJKSA-N 414.485 1.214 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncc(Cl)n1C 1300733645 ZKRLPXFBWPPUOX-UHFFFAOYSA-N 421.958 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300887405 BZCVNHZFCYPEQD-XXHMAFKTSA-N 416.526 1.636 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)CC 1301044166 GCUXHQCAHSBUJG-JSGCOSHPSA-N 405.952 1.846 30 10 HDEE COCCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301541233 WXCQLXPVAXNOKF-DLBZAZTESA-N 401.515 1.222 30 10 HDEE COC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1301701917 QIUVPUJXUUIZDX-TZQQIIETSA-N 420.510 1.090 30 10 HDEE C[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1303700312 DASJTFCZFFDWFQ-HOTGVXAUSA-N 400.458 1.534 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N1CCC(OC)CC1 1309853670 FMQJUOGTYWJVGL-UHFFFAOYSA-N 415.556 1.677 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(N4CCNC4=O)CC3)CC2)c1 1312944137 ALFPXZVIULNHLZ-UHFFFAOYSA-N 410.522 1.722 30 10 HDEE CCOCc1nnc(N2CCCN(Cc3cnn(C)c3)CC2)n1Cc1ccc(C#N)o1 1314379637 ZWGKYDRWUYMTEU-UHFFFAOYSA-N 424.509 1.773 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1316526923 DZIQEUXEBLWBTP-FOIQADDNSA-N 417.489 1.464 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCCc3ccccc3)n2CCCn2ccnn2)CCO1 1316539642 FICCFCYZYHQFIV-LJQANCHMSA-N 406.494 1.864 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc(-c2cccnc2)nc1O)[C@@H]1CCS(=O)(=O)C1 1321575551 FVGZWQIAILXMJK-MRXNPFEDSA-N 414.487 1.134 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1358994273 JAJLKIQISSFVFB-KRWDZBQOSA-N 419.551 1.264 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCN1CCCO[C@@H](C)C1 1359024100 FHISSMPTTIPCQG-PMACEKPBSA-N 419.570 1.759 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CCCCO2)CC1 1359044594 JVDYRRYMPKGXPH-RTBURBONSA-N 415.538 1.707 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS(=O)CC1 1359086595 BYOVIYLTQLOZPH-UHFFFAOYSA-N 413.345 1.617 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359123285 WCGSODQXEOFLKP-QGZVFWFLSA-N 409.538 1.629 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCOC1 1359256844 RKCZINGCWYBUCI-KNQAVFIVSA-N 409.490 1.998 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1359272629 YCNGKMVNJDGCQP-ZDUSSCGKSA-N 408.553 1.821 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1359337645 XLNPSFNKJAMUIB-IUODEOHRSA-N 402.521 1.249 30 10 HDEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1434919645 IBVOYNPEERBMNO-UHFFFAOYSA-N 410.459 1.266 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)cc1 1440890910 BCZQOOLEAGLXGZ-UHFFFAOYSA-N 403.464 1.451 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(Cc4nn[nH]n4)CC3)ccc2c1=O 1455355489 NIXDRYGVLKOVIM-UHFFFAOYSA-N 411.491 1.479 30 10 HDEE COc1ncc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)cc1C#N 1462896438 VXNIATTZBFXBIU-UHFFFAOYSA-N 415.203 1.959 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cnc(Br)s1)c1cc[nH]n1 1467986921 OCKUZKQGMXAOKN-UHFFFAOYSA-N 416.257 1.229 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1)C1CCOCC1 1469629787 VWOQMQBRNJUOMX-IBGZPJMESA-N 407.536 1.849 30 10 HDEE Cn1c(O)nnc1CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1471155385 BPOAQYRXEVKHHJ-PHDIDXHHSA-N 423.264 1.833 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1 1471834728 JDUGMGVWVUYLSB-IRXDYDNUSA-N 416.526 1.678 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccccc3OC)CC2)c1 1473662636 HCLRFJLGJWDQHM-UHFFFAOYSA-N 420.469 1.783 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@]3(C)COC(=O)N3)CC2)c1 1475689974 ITQJAKQJRZYLNL-IBGZPJMESA-N 407.492 1.502 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ncc(Br)cn3)CC2)c1 1479500094 SWEVGQDKCZBINZ-UHFFFAOYSA-N 402.256 1.538 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOc1ncccc1F 1492908125 IRGXVLHAKUEZEX-UHFFFAOYSA-N 408.441 1.793 30 10 HDEE COC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1504689697 PCPVQNABMHACAS-VUAZUDAXSA-N 402.499 1.575 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)N1CCOCC1 1505272218 VUPPNGOLYXCLNV-VQIMIIECSA-N 424.505 1.537 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2ccco2)CC1 1505322940 AWPCKRUGTISEPD-OAHLLOKOSA-N 411.466 1.382 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1507596925 RIBOVKCESDXCJT-FQEVSTJZSA-N 422.533 1.657 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@H]2CCC[C@H](O)C2)n1 1507717213 RFVLXKAUMCAKMW-MJGOQNOKSA-N 400.527 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2C[C@@H]2C)CC1 1507735922 JMGLEWQJXZXYGU-BQFCYCMXSA-N 403.527 1.624 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(CCC)C(=O)C1 1507835467 BJNUXRZHYAYNHK-UHFFFAOYSA-N 418.542 1.556 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(OC)cc3)n2CCNS(C)(=O)=O)CC1 1507892109 LDSBLTJARJFGDD-UHFFFAOYSA-N 421.523 1.571 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1507893632 KHECKDQULUDAFS-ZWKOTPCHSA-N 403.527 1.968 30 10 HDEE C=CCCOCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1507965979 KBRSOYLTRFRNBP-INIZCTEOSA-N 418.542 1.935 30 10 HDEE C=CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCN(C)C1)C1CC1 1507989043 XGLQEOZHEJLSSE-RTWAWAEBSA-N 405.543 1.540 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1508057727 LSXHFBKXFLXTNE-MRXNPFEDSA-N 410.526 1.964 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1508080982 VCJOXRSELUEXBW-UHFFFAOYSA-N 423.525 1.021 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@@H](C)C1 1508084847 PYSBODSZNHWGNA-HOTGVXAUSA-N 409.494 1.432 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1C(C)(C)C 1508096966 DMHZDFLWSNEPBL-UHFFFAOYSA-N 404.559 1.426 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)C1 1508110068 XMLYKBYDDMJYIU-JXFKEZNVSA-N 422.599 1.635 30 10 HDEE CC(C)(C)[S@](=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1508698088 HGGAYORBALQOGD-WQIZZMQYSA-N 406.556 1.906 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1512484989 BWFJKFUMBYXJGV-IWAYJWFOSA-N 421.505 1.883 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1OCC[C@H]1C 1519161026 FABPTGVXJHEKFV-HZPDHXFCSA-N 413.482 1.717 30 10 HDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1526476632 OHKUREPHFYRKGW-KRWDZBQOSA-N 417.510 1.920 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2nc(C3CC3)nn2C)c1 1528412373 ORFKXQOQESGSHS-UHFFFAOYSA-N 407.474 1.108 30 10 HDEE CN(C(=O)Cc1ccc(Br)cc1C#N)C1CCN(S(C)(=O)=O)CC1 1533638377 OZAXPQZIHJUDSO-UHFFFAOYSA-N 414.325 1.746 30 10 HDEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OCCOC(C)C)c1 1536179942 OIRMALWWVKPIFL-YWZLYKJASA-N 422.503 1.509 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1539071794 DVMMNDCUERTNKI-MRXNPFEDSA-N 409.556 1.192 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1539146135 ZBTIDXUMCBQGKV-GOSISDBHSA-N 424.553 1.268 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@](C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1539202596 JSZSELBHEDAKKE-HMPCPRATSA-N 412.581 1.329 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cn(CCCC)nc1C)[C@H]1CCS(=O)(=O)C1 1539219289 HZVVBPGKYMESPR-SFHVURJKSA-N 418.567 1.821 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCCCS1)[C@H]1CCS(=O)(=O)C1 1539231623 UPQMQDHVESDYIY-HOTGVXAUSA-N 412.581 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1CCN1CCN(C(C)=O)CC1 1539319606 DBZBAOJQPRTCTR-UHFFFAOYSA-N 404.518 1.572 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC(C)(C)N1CCOCC1 1539331573 UHTKUWNPUYIWNM-UHFFFAOYSA-N 423.565 1.713 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCCC1 1539416984 WQTZKBGDAPERPZ-FQEVSTJZSA-N 411.506 1.972 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539437925 KACSWNSPTPYYSD-WZONZLPQSA-N 409.534 1.803 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1539447299 QERUSPYNVSHIJS-LAUBAEHRSA-N 415.563 1.897 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1540862067 QBOMCMDICROKFR-CHWSQXEVSA-N 414.432 1.451 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1540870858 YPNYIODGOAUKDG-KRWDZBQOSA-N 412.494 1.210 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1540889819 UQCGNMFVVGVOKY-IEBWSBKVSA-N 413.526 1.718 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1542098483 ONJNHOLYEKAVNX-UHFFFAOYSA-N 408.520 1.981 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C[C@H](C)O1 1544746502 ACCNNDNAOMZFSP-GJZGRUSLSA-N 417.473 1.973 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1OCCC1(C)C 1545928595 FBPKLLGMOPTJRZ-HOTGVXAUSA-N 404.515 1.740 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)cn1 1556465607 OJPWIUZTIPBCHH-HNNXBMFYSA-N 403.508 1.205 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC12COC2 1558226358 MNQNSVQXYDTXKQ-LSDHHAIUSA-N 409.483 1.612 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OCC)C[C@@H]1CO 1558734753 UNHROUKXAXWFPC-HZSPNIEDSA-N 419.906 1.588 30 10 HDEE Cn1nc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)c2ccccc2c1=O 1559032735 GQGCTIQCQXIKLN-UHFFFAOYSA-N 406.398 1.451 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCOCC1 1565078984 BCQZFHQFLURTQM-INIZCTEOSA-N 407.515 1.442 30 10 HDEE CS(=O)(=O)CCCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1570506634 QVOCIWIMDUPMEV-UHFFFAOYSA-N 414.325 1.698 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)CC1 1585278777 HYBSISJLFBWRSI-QUCCMNQESA-N 403.498 1.487 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cs1 1586931578 AJUFBJXIFRCWBT-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N2CCCNC2=O)CC1 1587856683 PKQCKTMOVQYYAV-QGZVFWFLSA-N 400.527 1.970 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CCC(=O)N1CCOCC1 1588006563 NPULMWCHKHDOOT-UHFFFAOYSA-N 411.506 1.390 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1588064587 LBLBEMOLBZTQBD-KRWDZBQOSA-N 402.524 1.062 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1588065131 VAFQBINMZHFCOX-JQHSSLGASA-N 408.568 1.918 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](C(=O)OC)C1 1588976348 VDHSDPGZJVNWOY-CQSZACIVSA-N 407.540 1.562 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccco1 1589150511 GQMSQMFWHDVTKB-NIKGAXFTSA-N 421.523 1.381 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1589234648 WTNYTJVPNADHEG-JOCHJYFZSA-N 412.538 1.699 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1C[C@H](OC)[C@H](OC)C1 1589529635 ORSDSSVQTASWNU-BGTYHANMSA-N 400.483 1.566 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2O[C@@H](C)C1 1595466966 NVGRNORLSYQUDM-HNNXBMFYSA-N 412.494 1.506 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCN(CC)C2)C1 1595665476 WRWDOPLJOSTJDQ-MSOLQXFVSA-N 402.543 1.637 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCNS(=O)(=O)CC)C1 1595722671 MSYGIAISXPRBDS-HOTGVXAUSA-N 413.544 1.240 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1595777420 MOIWDZJDSUPXPT-HXUWFJFHSA-N 415.519 1.262 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2noc(-c3ccco3)n2)ccc1F 1595875386 DEXSRIIKLPSHRS-UHFFFAOYSA-N 406.395 1.863 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCn1cccn1 1613009892 FSTNLMKPIXDGNN-GOSISDBHSA-N 420.521 1.870 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCN(CC)CC 1613987211 FOMZEEMATHHQGM-UHFFFAOYSA-N 413.526 1.734 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)NCc2ccc(C(=O)NO)cc2)cc1 1618007651 NEHGQBHLCGKXQF-UHFFFAOYSA-N 413.430 1.210 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cnn(C)c1I 1622080756 IFBILNXFPLUXCH-KOLCDFICSA-N 411.265 1.284 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](C)Cc2ccc(OC(F)(F)F)cc2)CC1 1623499132 RACTZHXYEWIFMT-HNNXBMFYSA-N 411.424 1.657 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1624726238 GNXSDHPTEYNVNC-UHFFFAOYSA-N 418.437 1.860 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1625019361 AXDXWLRZXZTRLS-KRWDZBQOSA-N 424.542 1.832 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(COCCO)cc2)cc1S(=O)(=O)NCC#N 1627041267 NGMPEQKBWJLXFC-UHFFFAOYSA-N 403.460 1.558 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(CN(C)C)cc2OC)cc1 1629504288 JZJWUUJQNINTDA-UHFFFAOYSA-N 401.488 1.921 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(CCN2CCOCC2)CC2CC2)c1 1630279462 YLUPVCRXTPXTIB-UHFFFAOYSA-N 404.532 1.668 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1632298895 UQUICJOVJHSQRT-UONOGXRCSA-N 404.891 1.795 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](c2ncon2)C1 1634458675 VZXJWTCMHDSJTN-CQSZACIVSA-N 417.491 1.685 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3c(C)cccc3F)c3c2CCC3)CC1 1634876481 QZDVTPWBTABOKE-UHFFFAOYSA-N 423.492 1.316 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)C1=O 1635209838 PBWGLCBCZNZYMM-VLIAUNLRSA-N 411.474 1.207 30 10 HDEE C#CC1(F)CN(C(=O)CN2CCN(Cc3ccc(Br)cc3F)CC2)C1 1636907120 QUUZMIZCFZQUCQ-UHFFFAOYSA-N 412.278 1.890 30 10 HDEE C#CC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C(=O)OC 1637693558 KHHZIYIGEKTJSI-IBGZPJMESA-N 420.531 1.865 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(N(CC)C(C)=O)nc1)c1cc[nH]n1 1641288866 LBJUTMRRZVHYCN-UHFFFAOYSA-N 402.411 1.100 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cn([C@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1642431227 ZBUCFSQNCQVUKU-CVEARBPZSA-N 403.483 1.714 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1645772253 WBTDSTABGDEKBG-UHFFFAOYSA-N 422.547 1.813 30 10 HDEE CN1C(=O)Cc2cc(CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)ccc21 1648740618 QCEPECOTNIWOTO-UHFFFAOYSA-N 401.419 1.572 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1nc2cc(OC)c(OC)cc2n(C)c1=O)C(=O)OCC 1651052538 QRDLCTMHHOEILN-CYBMUJFWSA-N 403.435 1.578 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)Cc2cc(C(=O)OCC)no2)c1 1653686470 LCVPRKZFSUGCGA-UHFFFAOYSA-N 405.432 1.233 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]2C)CC1 1659077925 SQVKEXPFSUDXEN-FHWLQOOXSA-N 406.571 1.635 30 10 HDEE C#C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)C1CCOCC1 1660826441 AEVKXRIEZRBFGB-QGZVFWFLSA-N 415.475 1.827 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1665797293 TYAAWXKUDIXYBM-GJZGRUSLSA-N 420.528 1.440 30 10 HDEE CS(=O)(=O)c1cc(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)ccc1F 1671429366 HJVXGCITOOXLCX-UHFFFAOYSA-N 403.439 1.850 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)CC1 1671634795 JVTLFHQVIYRYMP-VOTSOKGWSA-N 422.503 1.266 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C1 1673399981 BZEOHUSXQQTSPR-SFHVURJKSA-N 423.517 1.952 30 10 HDEE C=C1CCC(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 1673447879 BJXQGFWTAHCJOI-UHFFFAOYSA-N 421.519 1.876 30 10 HDEE C[C@H]1CC2(CO1)CC(NC(=O)N1CCN(S(=O)(=O)c3ccc(C#N)cc3)CC1)C2 1676348573 JXHMSLDXMAOEFD-FVWXCPNNSA-N 418.519 1.532 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCN([C@]4(C(=O)OC)CCOC4)CC3)cc2n1 1680704456 VRQHWKGNKIVYQI-OAQYLSRUSA-N 413.478 1.704 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN4CCSC[C@H]34)C2=O)cc1 1682021217 BVTCAJFSJRNJNV-CEXWTWQISA-N 413.547 1.538 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3(CF)CCOCC3)CC2)cc1 1682443504 FLGMSCTXIOYTEC-UHFFFAOYSA-N 424.498 1.340 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccncc2OC[C@H]2CCOC2)CC1 1682914273 GBEFLTSWVKDNTO-HNNXBMFYSA-N 402.451 1.485 30 10 HDEE C#C[C@@H](NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1)C1CCOCC1 1684188661 UTVMSACVROIATR-GOSISDBHSA-N 414.466 1.249 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 1687206510 UHIFFAFDNVCEHU-OAHLLOKOSA-N 403.508 1.012 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1 1689845965 DJHNUTPMMUZFEU-OAHLLOKOSA-N 403.508 1.046 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689936780 DIDBIYCGEJCKBV-FQEVSTJZSA-N 416.551 1.568 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1nccc(C(F)F)n1 1689953926 DUKNTQMTRFJZKL-UHFFFAOYSA-N 422.403 1.766 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1689988375 NWGJBESDJYIREX-AWEZNQCLSA-N 420.564 1.503 30 10 HDEE C#CCN(c1nnc(COc2ccccc2F)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1689996990 SXNHVWPFQRDHGU-OAHLLOKOSA-N 404.467 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCOC[C@H]1OC 1690034955 XGQWDQAKTKJFMT-JQVVWYNYSA-N 416.522 1.445 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ccc(-n2cncn2)nc1 1690047647 WCXDZTATIQQYNY-SFHVURJKSA-N 402.462 1.269 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3ccccn3)n2CC2(O)CC2)n1 1690108970 BFIQCVQWPOQROJ-UHFFFAOYSA-N 407.478 1.348 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2csc(CC)n2)CC1 1690110450 MZVQIELDPICXJK-UHFFFAOYSA-N 415.567 1.433 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CC(=O)NCCC)CC1 1690133940 ZIRNXSDCOIRVAQ-UHFFFAOYSA-N 414.485 1.278 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1690511339 XWWQYOJCSLKERN-LJQANCHMSA-N 416.570 1.566 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690663667 CZAZTVRWXLTSHA-INIZCTEOSA-N 400.483 1.501 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1690667306 YWBROVDTSBYSDO-MRXNPFEDSA-N 409.494 1.112 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)s1 1690670451 BTZIBXATYXRWEA-CQSZACIVSA-N 423.564 1.489 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1693555413 RBDWUOFAUKQVHS-HNNXBMFYSA-N 414.535 1.599 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(C)CC1 1696502692 UJADIADLYHXEEJ-UHFFFAOYSA-N 400.508 1.912 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCOc2ncccc2F)CC1 1698490431 BKUXNBIAGRMNGJ-UHFFFAOYSA-N 413.457 1.754 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1705490121 CKDBGOOJIVIZQL-MRXNPFEDSA-N 405.506 1.746 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705518908 UITVMJCFDCFOQG-KRWDZBQOSA-N 416.551 1.538 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCCOC 1705582724 IITXBARVIMIUIX-KRWDZBQOSA-N 417.510 1.696 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705724363 JEHGABQWWOWICA-UHFFFAOYSA-N 421.509 1.691 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@@]1(OCC)CCOC1 1705728528 NQEVQTKZQFTENI-FXAWDEMLSA-N 402.499 1.608 30 10 HDEE COCCOC1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1712590451 QENGGJTUZKLFGH-UHFFFAOYSA-N 416.482 1.561 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1712853294 WSGOGGNRFIHALG-HNNXBMFYSA-N 407.482 1.897 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)o1 1712880891 IVTKVAOGDDRPNX-LJQANCHMSA-N 406.381 1.880 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1722294226 QCDGCDOXYVLFLF-HUUCEWRRSA-N 419.489 1.411 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@](C)(O)CCOC 1722343706 OOSGWJKHZSMKJY-KRWDZBQOSA-N 410.316 1.903 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364002 IZXUZXVKNIIQDY-IAGOWNOFSA-N 423.583 1.581 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O 1722397396 ROCCCTWPISKYTO-UHFFFAOYSA-N 421.473 1.159 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722455848 XMCJGMZRQIVKNY-CQSZACIVSA-N 420.926 1.311 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCS(=O)(=O)NC(C)C)CC1 1722580311 PTUPGSKZGWXECX-UHFFFAOYSA-N 418.567 1.994 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1722604295 XMLQBYUPDUOISS-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c(N(C)OC2CCCC2)nnc1[C@@]1(OC(C)C)CCOC1 1722704646 WERSYNXIWXZMPM-HXUWFJFHSA-N 407.515 1.931 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2C(=O)NC[C@H]2C1 1722707890 BZDNEHBBGMSKQU-KRWDZBQOSA-N 412.494 1.642 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1723690214 IXMXFCMVGLWLMJ-DYESRHJHSA-N 420.558 1.635 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1730289643 JDAJGFNPQUUXQT-OAHLLOKOSA-N 406.446 1.702 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCN2CCCC2)CCO1 1731186810 GYUPUSWCGXWQHF-HNNXBMFYSA-N 415.523 1.094 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1740558897 VSADRCFDLWOROH-SOUVJXGZSA-N 403.508 1.267 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740565262 PLMPALBATOECSJ-OAHLLOKOSA-N 401.471 1.489 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCN1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740617914 YWYDVFBXCVSRIL-KZNAEPCWSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740624894 MNMAITFGNNJIJC-QRTARXTBSA-N 419.576 1.917 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)c1ccccc1 1740669868 JBISJWZYVHATIP-GOSISDBHSA-N 417.535 1.958 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740717839 BHTREFGJRRZNOD-INIZCTEOSA-N 416.551 1.775 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC(F)(F)C1 1740724643 FTPMQQCVUPAILA-MLGOLLRUSA-N 401.483 1.926 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CCOC)c1)C1CC1 1740911125 WONDXOASQPLFGC-MRXNPFEDSA-N 420.539 1.226 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@H](C)C1 1740959494 XQALRKUDZGAFBS-AWEZNQCLSA-N 417.539 1.387 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)C1 1740973236 STUJQNHLSQBBBX-KBPBESRZSA-N 401.533 1.095 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1741876162 CCYWQNQARDFZNI-DYESRHJHSA-N 412.542 1.777 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)C1 1741985484 YOZDRLDVVOJSNS-CBGDNZLLSA-N 416.526 1.945 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1748752454 XOAOZSIBJNLAOV-KZNAEPCWSA-N 403.527 1.563 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1748782956 AYRQHGJPCVTWOT-UHFFFAOYSA-N 401.478 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CCNS(=O)(=O)c1ccc(C)s1 1748858623 QVUXRSDNJZSSQJ-UHFFFAOYSA-N 419.576 1.898 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@H]1CC[C@H](CO)O1 1748969232 RCHBPRJNAQKNIJ-VQTJNVASSA-N 423.517 1.907 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N(C)C)CC1 1748971587 WDLQBNWIBMBHNV-LJQANCHMSA-N 423.565 1.853 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCN2CCOCC2)CC1 1749285323 FRLVYHYLZMJENE-UHFFFAOYSA-N 402.543 1.783 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1749286920 VGBVJXGLHMUTCS-LIRRHRJNSA-N 422.555 1.056 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2occc2C)CC1 1749304287 YXNYGVJUTLKTEL-KRWDZBQOSA-N 421.523 1.717 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1749426459 CBDFRFBLNWUSJI-QGZVFWFLSA-N 411.510 1.569 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCCC2)C1 1749718509 WWCZFEFZZVXVPW-GOSISDBHSA-N 402.543 1.668 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1750117526 CIFZROWRWCYHFX-PWAOUJBFSA-N 416.526 1.609 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCCO)CCO1 1750388060 IWZRIXSXKFQYRJ-OAHLLOKOSA-N 418.523 1.551 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCOC2)cs1 1751775409 WCWBLROQKBLJPB-IBGZPJMESA-N 402.524 1.915 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1760153470 RWIBGNQAWCQPAS-HZPDHXFCSA-N 416.526 1.994 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cc(OC)ccc1OC 1760192886 PEVSNHBWGPXUCR-UHFFFAOYSA-N 407.474 1.652 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC(O)CC1 1760249587 OROGXGZFDYYKLW-GOSISDBHSA-N 405.543 1.105 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760355723 TZYQVEWUJWIQDD-SFHVURJKSA-N 424.509 1.738 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1760522428 SUFJZJJWYLAGBK-KKSFZXQISA-N 405.543 1.943 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(SC)CCOCC2)C1 1760541724 GQTRQIMDHHKSOF-HOTGVXAUSA-N 421.567 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOC(C)(C)[C@@H]1C 1760553857 KFUSJNDXBACIRD-AWEZNQCLSA-N 406.512 1.340 30 10 HDEE CC(=O)NCCCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1760683215 WPRWTGBWHZSXOF-UHFFFAOYSA-N 408.510 1.350 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1765914656 ZTBXWZKIBDUITD-VBKZILBWSA-N 414.466 1.110 30 10 HDEE COCC(=O)N1CC(OC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)C1 1850815264 JKVHKJOUJJOSQW-UHFFFAOYSA-N 408.458 1.723 30 10 HDEE N#Cc1ccc(N2CCC(COC(=O)CCCN3CNC(=S)NC3)CC2)cc1 1851489970 UOYPNMWCPFIELV-UHFFFAOYSA-N 401.536 1.793 30 10 HDEE N#CCC(=O)NCCOC(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1 1852972328 RHEQYYARVWGCMG-UHFFFAOYSA-N 412.490 1.574 30 10 HDEE COc1ccc(CN2CCn3nc(C(=O)NCC4(C#N)CCOCC4)cc3C2=O)cc1 1852986686 WGASWLYOLDHHFM-UHFFFAOYSA-N 423.473 1.598 30 10 HDEE Cc1nc(=NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c(C#N)c[nH]1 1853097790 PRJBJNSHOCTMPG-HNNXBMFYSA-N 416.489 1.855 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCCC2 1853684033 NRGLBJPJCYKHCU-SFHVURJKSA-N 417.550 1.964 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)COc3ccccc3F)CO2)cc1 1853849561 QRGPYHBESLHRER-CQSZACIVSA-N 406.391 1.624 30 10 HDEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1853947936 AQOSQHBCEMFYGI-RHSMWYFYSA-N 423.922 1.656 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CCc4ccon4)C(=O)C3)C2)cc1 1854102018 ZUYXIWJUXIMBTJ-HXUWFJFHSA-N 407.474 1.424 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1=O 1854186365 NWAHJEPSTUZUQR-IAGOWNOFSA-N 407.873 1.868 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@@H]3CCN(CCc4ccccc4)C3)CC2=O)ccn1 1854237770 DWHAWWQBDSEAMT-OAQYLSRUSA-N 403.486 1.555 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(Cn4ccnc4)CC3)CC2=O)CC1=O 1854562464 JVJRHDRJOZDLCA-RTBURBONSA-N 413.522 1.005 30 10 HDEE COc1cccc(OC)c1C(=O)N1CCN([C@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854956658 QMRVKDQGIQHGPH-IRXDYDNUSA-N 414.506 1.755 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)CCn3cncn3)C2=O)CC1 1855116610 VFZLIVRBMBZJNE-GOSISDBHSA-N 407.478 1.332 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1 1855682582 MTLBSAWKRHAVQM-UKRRQHHQSA-N 406.870 1.737 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1ccc(Cl)cc1 1855941908 OKOZQHHEKZNIEH-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C(=O)C1 1856404173 KEBACYYSRUMKRG-MRXNPFEDSA-N 408.462 1.058 30 10 HDEE Cc1ncccc1C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1856559960 HXWLXYKXKKKGBM-IBGZPJMESA-N 404.474 1.610 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCN([C@@H](C)CCC#N)C(C)(C)C3=O)C2)no1 1856746847 SWAALQMCIGOVSZ-ZDUSSCGKSA-N 401.467 1.197 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1856791996 MDZHLOMZMPRPKH-FUHWJXTLSA-N 407.492 1.669 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C(C)C)on2)C1)[C@@H]1CCN(C)C1=O 1857046684 UHDPKXXGLFLRDZ-NVXWUHKLSA-N 402.495 1.896 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1=O 1857144197 OEKZLDOOICUCCL-BBRMVZONSA-N 418.448 1.422 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cn(C)nn1 1857486791 MAQSIRLNNGFYCD-UHFFFAOYSA-N 403.464 1.131 30 10 HDEE C=CCN1C(=O)C(Nc2ccc(S(N)(=O)=O)cc2)=C(c2ccc(F)cc2F)C1=O 1863311839 RVMWVOSLHGUHDU-UHFFFAOYSA-N 419.409 1.990 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 1870098532 JFBFADVPKWMZEI-UHFFFAOYSA-N 415.431 1.966 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)cs1 1890152685 PEFRCFXPDIXUEL-AWEZNQCLSA-N 416.478 1.977 30 10 HDEE N#C[C@H]1CN(C(=O)c2nc(NN)ncc2Br)CCN1Cc1ccccc1 1914892366 PCUAHGBNZNPHFB-ZDUSSCGKSA-N 416.283 1.375 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1990261274 NFWBHKPITAGWNF-YRVVQQKDSA-N 410.320 1.957 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(Cl)s3)s[nH]2)OC1(C)C 2047625989 WPVBTJJGRAATLX-UHFFFAOYSA-N 407.735 1.775 30 10 HDEE N#Cc1ccc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c(Br)c1 2118195217 SYXHHILEEXKUAV-ZJUUUORDSA-N 419.201 1.679 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(I)nn2)cc1C#N 2173020928 GIYVNFYSRYXZTM-UHFFFAOYSA-N 401.189 1.457 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174779324 HWJUBYRIYDEEOG-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C#N)CCOCC1 2174779435 JIPUSVCQNISPCG-UHFFFAOYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2243405278 CNLIILZWGMNYHV-GFCCVEGCSA-N 410.276 1.194 30 10 HDEE CN(CCCNC(=O)OC(C)(C)C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778913 KGZLPYXJRUZARL-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC(C)(C)OC(=O)NCC1(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCC1 2247826589 WVHAVIPYZLYZBA-UHFFFAOYSA-N 420.319 1.886 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCC2OCCO2)OC1(C)C 2247905519 UWWPQKDCWLZLQR-UHFFFAOYSA-N 403.693 1.290 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](Nc2ncc(B3OC(C)(C)C(C)(C)O3)cc2F)[C@H](O)C1 2248572797 VRMXPYWVVGQTJV-LSDHHAIUSA-N 423.294 1.912 30 10 HDEE C#C[C@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161117 YDJDDOOVUCBDNW-IRXDYDNUSA-N 408.476 1.272 30 10 HDEE C=CC1CC(N(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258179219 JKUHHMCPIMWDDX-BDVYOWHSSA-N 410.492 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC[C@H](CN=c3[nH]c(Cl)c(C#N)s3)O2)C1 2264786131 OUSQIOSKVDOCAH-JTQLQIEISA-N 400.888 1.907 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC([S@@](C)=O)C1 2267366027 ZLBZOOGQLWHCIY-XMMPIXPASA-N 405.372 1.107 30 10 HDEE Cn1nc(C(=O)NCC2([S@](C)=O)CC2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282041841 BZKVQZOALDEDQS-SANMLTNESA-N 401.725 1.014 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCNC[C@@H]3F)cc2Cl)OC1(C)C 2282305423 YOPSBNQRBSIVHH-WDEREUQCSA-N 424.756 1.679 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](N)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282311758 MXINTEASWAWJMP-VIFPVBQESA-N 414.280 1.524 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCCC[C@@H]2C2OCCO2)OC1(C)C 2282347582 ZXFGJVQIBQCLJD-MRXNPFEDSA-N 423.340 1.902 30 10 HDEE COC[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1=O 2282503293 XWGYZLTWCRKXEJ-LLVKDONJSA-N 401.315 1.231 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N[C@@H]2CCCSCC2)n1 2282510397 XXCIEWUYPDHWSB-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCCC12OCCO2 2282601372 CQIQRZXJUKHPCF-HNNXBMFYSA-N 405.304 1.618 30 10 HDEE CSC(C)(C)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856570 UZSSZPMZRUAGGZ-UHFFFAOYSA-N 403.379 1.481 30 10 HDEE C[C@@H](C[S@@](C)=O)N(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282864475 GKYMZUGREQKNSR-ZJWNCGCPSA-N 401.359 1.373 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H]2CC(=O)O)OC1(C)C 2284392809 BOVMIOJXHJRISP-LLVKDONJSA-N 401.315 1.675 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H](C)CC(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284396947 ZSABJBUJHUUPDW-VIFPVBQESA-N 403.331 1.806 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284410154 RWWJNYRHSQSPOR-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284417305 JCHGRHRPNLFBKZ-PWSUYJOCSA-N 403.331 1.825 30 10 HDEE C#CC[C@H]1CN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CCO1 2338822187 YOJAUEQBUQLHGS-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@H]1C1(C)OCCO1 2362336443 QXICAPYBBCHQIU-AWEZNQCLSA-N 405.304 1.477 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2362770011 DPIBCKQLVJREFZ-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2365201609 AVLBCHUHDICABJ-DNVCBOLYSA-N 402.557 1.817 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCNC(=O)OC(C)(C)C 2365202557 OGFONSOFEZRUAC-BEFAXECRSA-N 404.573 1.847 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2367791864 KPFUMZYIZJJBGV-HRCADAONSA-N 400.541 1.475 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367804693 VWJUAZGHUZMIPS-HRCADAONSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367830432 IWDPETLRRFELNL-HUUCEWRRSA-N 402.557 1.599 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc(Br)cc3)CC2)CC1 41908500 QNBFZPITBBBEDT-UHFFFAOYSA-N 406.324 1.927 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n[nH]2)cn1 59310891 LBRJBSBTNKVIPR-OMCISZLKSA-N 401.412 1.623 30 10 HDEE N#CC1(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCCC1 65640301 CNTNSQXBLVHQGG-AWEZNQCLSA-N 406.464 1.948 30 10 HDEE CN(C)CCN1C(=O)C(=O)/C(=C(\O)c2ccc3c(c2)OCCO3)[C@H]1c1cccnc1 102730835 WQCURNUVUUFQQP-LAFOYAEKSA-N 409.442 1.836 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4nccnc4C#N)C3)CC2=O)c1 219944730 MDXWPVOBOJDZNC-WMLDXEAASA-N 407.430 1.390 30 10 HDEE C[C@H](C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1)n1cnc(C#N)n1 409862555 QMVSJSQDZFGACN-CYBMUJFWSA-N 401.858 1.147 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cccc(C#N)c2)cc1 432173718 AZGIADLSUCKQPC-UHFFFAOYSA-N 407.517 1.971 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(O)nnc3C2)n(-c2ccc(F)cc2)c1C 460381692 ABEPWBJMBLPGRQ-UHFFFAOYSA-N 409.425 1.856 30 10 HDEE CCn1c(O)nc2cc(C(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc2c1=O 461277615 LBNXEMSYIOAHBV-UHFFFAOYSA-N 401.386 1.827 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1cc(Br)cc(C#N)c1 480946905 BZHBLIQZJCLQIH-UHFFFAOYSA-N 413.297 1.720 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)cc1C#N 489270064 ZBQLXIDQNAAKIS-LJQANCHMSA-N 400.504 1.484 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1[N+](=O)[O-] 493606951 SDAWWADUCVUAFH-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(Cc2ccc(C#N)cc2OC)CC1 501189331 YPGXWUUYJZQWLE-UHFFFAOYSA-N 400.504 1.797 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)NC2CC2)CC1 508828955 XALFWCOFDXYLNY-LJQANCHMSA-N 408.506 1.541 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c1 513062101 BVCPHIBJDGELQX-IBGZPJMESA-N 420.469 1.957 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(F)c1 513122444 NWXYCKWQQWCVJQ-KNQAVFIVSA-N 418.513 1.886 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 523181875 JYZYEIXJGOWNLT-QGZVFWFLSA-N 411.527 1.992 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)n1cnc(C#N)n1 537508088 WKMWVAUXQYNJMX-GFCCVEGCSA-N 406.368 1.714 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccnc1C#N 538896782 WHSODDFHBLKNRS-UHFFFAOYSA-N 417.491 1.967 30 10 HDEE CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1C 546881497 DEBPFAWXEBNWMI-UHFFFAOYSA-N 417.491 1.586 30 10 HDEE CC[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)F 589470187 ULZZMWOFSKOCNA-AWEZNQCLSA-N 400.451 1.024 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@@H]1CCCO1 603800619 XGUUSUVQRRXUCJ-INIZCTEOSA-N 415.515 1.410 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2ccc(OCC(C)C)cc2)CC1 604194552 PPNGPHYSLLYSAQ-UHFFFAOYSA-N 402.539 1.893 30 10 HDEE CCOC(=O)Cc1ccccc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 610807818 UENHKFBMZAPOIX-AWEZNQCLSA-N 415.471 1.969 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1sccc1C#CCCO 703968305 DOUXOPTWEDLZJR-UHFFFAOYSA-N 418.496 1.198 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccc(OC)cc3)o2)CC1 728530414 DIDRXXSOVIOBMX-UHFFFAOYSA-N 410.474 1.176 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCN(C(=O)NC2CCCCC2)CC1 733888176 OLZUMSYQUNZLNU-HNENSFHCSA-N 403.483 1.089 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cccc(CN2C(=O)CNC2=O)c1)c1ccc(C#N)cc1 740211888 DPDOQKNTGASWIQ-SFHVURJKSA-N 407.382 1.681 30 10 HDEE CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 747499235 XXSVGEHHPPSPHI-UHFFFAOYSA-N 424.457 1.922 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 763241583 OVFMCCRBSCPVPZ-LJQANCHMSA-N 400.504 1.322 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCC2CCS(=O)(=O)CC2)C1=O 768421602 MZRUJZSYDOBCIL-INIZCTEOSA-N 423.560 1.969 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)[C@@H]1CCS(=O)(=O)C1 774025440 LKLMXWDMOYOOTD-SJORKVTESA-N 405.476 1.458 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774193864 AIXONHGRTHJNMJ-HZPDHXFCSA-N 413.540 1.608 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCS(=O)(=O)C1 779374754 DXIUNITUVAFISF-UKRRQHHQSA-N 413.902 1.890 30 10 HDEE C=CC[C@@]1(C(=O)NC2CCN(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 790256794 OINGAZCSSSFUDK-IBGZPJMESA-N 415.556 1.872 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2ccccc2C(=O)NC2CC2)CC1 796251645 XFFXKNSNHCESQN-UHFFFAOYSA-N 404.474 1.606 30 10 HDEE C#CCC[C@H](O)CNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 799077505 IQQSTDQNHPXQSD-INIZCTEOSA-N 411.487 1.964 30 10 HDEE CCOc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2Cc2cnn(C)n2)c1 807940311 VXYOYTBGQXOCRI-HNNXBMFYSA-N 402.480 1.482 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OC)n1CC)[C@H]1CCS(=O)(=O)C1 812035826 ZZKSKHNGKGYVRA-HNNXBMFYSA-N 404.492 1.512 30 10 HDEE CN1CC[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)[C@@H](c2cnn(C)c2)C1 849560212 YOZLFHZAEYIROQ-LEWJYISDSA-N 422.533 1.927 30 10 HDEE C#CCN(C(=O)CSc1nnc(C)n1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 918755139 STQJSPFGTWSRIP-KRWDZBQOSA-N 418.544 1.376 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1 919867626 DYNCPSUGOMZNKG-XFXZXTDPSA-N 408.458 1.550 30 10 HDEE CC(=NNc1nc(SCC(=O)N2CCN(C)CC2)n[nH]1)c1ccc([N+](=O)[O-])cc1 1084476499 OCZNDVSVUJWJQS-UHFFFAOYSA-N 418.483 1.415 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H]2CCC[C@H](C1)C2O 1116100513 ODCFJFKTRWYVOF-JNUZOFDASA-N 419.547 1.903 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC[C@H]3CCCS3(=O)=O)CC2=O)cc1Cl 1133181084 WRMHLRRFDBBQBY-UKRRQHHQSA-N 409.895 1.648 30 10 HDEE C[C@@]1(C#N)CN(C(=O)Cc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)CCO1 1134271154 RUFWBNKLGKXMTF-GOSISDBHSA-N 405.501 1.897 30 10 HDEE COc1cccc(C(=O)NCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1136501538 UXCSWQZBUINVLQ-UHFFFAOYSA-N 419.434 1.291 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1142206466 ZEDQKUDSJBQRDW-KHPPLWFESA-N 417.443 1.737 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1143499740 NFGREHOVMKRXLL-QZTJIDSGSA-N 406.504 1.038 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1 1147001094 PYKCQBQKXDPGEJ-UHFFFAOYSA-N 413.499 1.203 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1CS(N)(=O)=O 1157558984 BIASMZUJGVASPW-CJNGLKHVSA-N 408.499 1.297 30 10 HDEE Cc1noc(Cc2ccc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)cc2)n1 1157678916 DTKQLFTYEDWKJH-UHFFFAOYSA-N 411.443 1.758 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@@H](C)N(CCO)C[C@H]3C)ccc2c1=O 1162248503 KCLVMVLRKASJRK-ZIAGYGMSSA-N 402.520 1.398 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)nc1Cl)C(=O)OC 1189691177 AGUQYQKYJGAKSF-MRVPVSSYSA-N 402.778 1.776 30 10 HDEE CCN([C@H](C)C#N)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1192972168 HBOFWHQEAXERCX-SECBINFHSA-N 401.286 1.562 30 10 HDEE C=CCC1(NC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CCOCC1 1198922522 CMBXKSPPSCRCLS-UHFFFAOYSA-N 422.551 1.870 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259114511 YPQQPDYXQSIAQS-STQMWFEESA-N 401.872 1.470 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1286394960 QHZZEHDKRSPQMM-SJORKVTESA-N 422.551 1.368 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC1(SC)CCN(C)CC1 1286461757 WTQHEEQROVNUBS-UHFFFAOYSA-N 422.599 1.330 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1286702789 WKANNQTXJGHLMR-KRWDZBQOSA-N 409.494 1.434 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1286715302 GSIQWHJWPSQYLA-UHFFFAOYSA-N 406.450 1.949 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(C)C)C1 1286778677 CTKQIODWPUHUMH-LSDHHAIUSA-N 412.560 1.063 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1288195948 XMVVDZMMKHJYSB-JOCHJYFZSA-N 421.505 1.590 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)COCCO2)cs1 1290435603 VPDXNZCXOJENQX-QAPCUYQASA-N 404.496 1.168 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1 1295877157 GPJSYQOTALZGBB-UHFFFAOYSA-N 400.464 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)c1ccc(C#N)c(O)c1 1298635088 GTUODNYZSJYGGP-UHFFFAOYSA-N 400.435 1.911 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@H]4COCC[C@H]43)n[nH]2)c1C 1299144995 VMCBWCVPBFOMPN-SJORKVTESA-N 419.507 1.104 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1Cc1nnnn1CC1CC1 1300324392 DLPRMKLKYPHPJW-OAHLLOKOSA-N 422.493 1.768 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc(C(N)=O)c1)[C@@H]1CCS(=O)(=O)C1 1300483210 ITVXPIWVBXEYBR-QGZVFWFLSA-N 415.519 1.175 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1300654039 RLHALSJPSNJDSL-HXUWFJFHSA-N 407.584 1.695 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300688107 APEROGAHIWRYQL-LJQANCHMSA-N 422.533 1.624 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](COC)OC)CC1 1300703684 PNXSOOMCMNSDHO-KRWDZBQOSA-N 404.540 1.050 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@H]2C1 1301000233 NRFQZQWVLNIOIY-QGZVFWFLSA-N 415.498 1.373 30 10 HDEE C=C(Cl)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)(=O)CC1 1301044180 GHYHVGFZIAFKFW-HNNXBMFYSA-N 410.883 1.778 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1301197120 DURZGURIYHHYSC-LJQANCHMSA-N 417.602 1.987 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cscn2)CC1 1301216794 RWZQXSOGBRMSEL-INIZCTEOSA-N 401.540 1.974 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nnc2n1CCC2 1301425064 BZPSQIXYPNXXRP-UHFFFAOYSA-N 414.539 1.859 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(CCCO)CC1 1301579802 YBQWBZBOFNGXTF-UHFFFAOYSA-N 422.555 1.268 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1305531695 KOKBPUHERRUABV-RDJZCZTQSA-N 411.510 1.878 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3C[C@H]4C(=O)N(C)C(=O)[C@H]4C3)c2C#N)C1 1308006692 UHBRNVZLVNLMBE-TUKIKUTGSA-N 400.504 1.620 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1325858113 PSDDNIXLWLDDNK-KBPBESRZSA-N 420.543 1.385 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)COCc2ccnc(O)c2)cc1 1350774847 VWYHWWAFNVGSCQ-OQKWZONESA-N 418.475 1.755 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1358922547 JGHXFIWANRAAJA-UHFFFAOYSA-N 403.508 1.449 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CCN1CCOC[C@H]1C 1359019869 JXFDXNOTXNIOKK-GOSISDBHSA-N 413.522 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCC(=O)Nc1ccccc1 1359022477 AYIGNCDRNDHZQQ-UHFFFAOYSA-N 407.478 1.793 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)CC1 1359179447 VQFWPPVYIKCJAJ-INIZCTEOSA-N 410.540 1.124 30 10 HDEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1359244138 RMACMRHSQYVGJJ-IBGZPJMESA-N 406.508 1.337 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(Cl)cccc2C1 1359298807 MMUYNGIOKZCQEO-MRXNPFEDSA-N 414.897 1.748 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1359299448 FSNJEGNLHWNTKN-FVJLSDCUSA-N 419.526 1.249 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)N2CCOCC2)C1 1359319960 JOXCOMIKBIAILP-GUDVDZBRSA-N 405.543 1.674 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)c1cccnc1 1359661134 DLRMKLHAGGXHAD-BZSNNMDCSA-N 409.494 1.793 30 10 HDEE COC(=O)CN(CCN1CCOCC1)C(=O)Cc1ccc(Br)cc1C#N 1435235061 SKPOXRDZKQCKGC-UHFFFAOYSA-N 424.295 1.197 30 10 HDEE C[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 1448498647 BJFRFINYDTZDSA-ZDUSSCGKSA-N 405.476 1.476 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NC(C)(C)Cc2ccc(C#N)cc2)cc1 1456024970 MPFKNDBGBFVNHX-OAHLLOKOSA-N 415.515 1.968 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ncccc3N3CCC[C@H]3C2)cc1 1456923337 GXLDHGMGHKSIBZ-KRWDZBQOSA-N 410.499 1.618 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)CC2(Br)Br)CC1 1459467300 PDJJSQUUJLSZLK-CYBMUJFWSA-N 406.118 1.871 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2cc(C#N)c3ccccc3n2)[C@H]1c1nccn1C 1459914591 QYJFWVOSQQHXEN-OALUTQOASA-N 404.430 1.767 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1468558786 XHYYXCIXCXOXPO-ZDUSSCGKSA-N 404.444 1.316 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H](C)C(O)[C@H](C)C1 1469969326 VIEKQIAWNQKFOJ-SDUBRBAJSA-N 407.536 1.759 30 10 HDEE N#CCc1ccc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1470628557 KIKZFNDNBYALDU-GOSISDBHSA-N 418.453 1.959 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 1470663202 PSPXWCWQKMEXAN-LJQANCHMSA-N 400.504 1.786 30 10 HDEE CO[C@@]1(CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)CCS(=O)(=O)C1 1471401065 WGGXCUPLYHHINN-LJQANCHMSA-N 407.492 1.315 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3ccc(OC(F)(F)F)cc3)C2)c(=O)nc1O 1472369974 KRQXVKFASPIGOI-UHFFFAOYSA-N 408.336 1.735 30 10 HDEE C[C@H]1CN(c2cccc(CN(C)[C@H](C)C(=O)NC3(C#N)CCC3)c2)S(=O)(=O)C1 1473430158 VTSSFKHNCUISQZ-JKSUJKDBSA-N 404.536 1.855 30 10 HDEE N#Cc1cnn2c(O)cc(CN3CCC(S(=O)(=O)N4CCCCC4)CC3)nc12 1473821463 NLHZYDYBBJFNDI-UHFFFAOYSA-N 404.496 1.087 30 10 HDEE C=CCN(C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C)[C@@H]1CCS(=O)(=O)C1 1476718549 SUZLHUYPHUQPAJ-CYBMUJFWSA-N 406.464 1.258 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)[C@@H]1CN(C)CCO1 1478171154 FNHNPTXNZIGSKD-UZLBHIALSA-N 423.521 1.499 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1479061595 UJMOZRVDPHDITM-ZNMIVQPWSA-N 405.417 1.282 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(c3ccc(C(=O)OCC)cn3)CC2)C1 1479313462 NYBBWJZTNFCWCN-IBGZPJMESA-N 413.522 1.578 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC[C@@H]2CCCO2)CC1=O 1503682604 LPSFOEGSXJGEOP-IBGZPJMESA-N 424.505 1.681 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1507564955 ZVLQBWLOBIMOCO-SFHVURJKSA-N 407.584 1.762 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507592114 PYTPZNROUWXJFM-MSOLQXFVSA-N 401.511 1.413 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(OC)c(O)c1 1507641438 FTYPENMWBGVBNP-QFIPXVFZSA-N 410.474 1.766 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1507652659 IIVGGONJUYCTOV-MSOLQXFVSA-N 417.579 1.373 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2sc(C)nc2C)CC1 1507732123 SWYVBHVLWULFHE-KRWDZBQOSA-N 400.552 1.853 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507743857 LNRNCDJUJYOGMM-SFHVURJKSA-N 418.611 1.902 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1507850555 NUGKNIPSKNOAKR-HOCLYGCPSA-N 408.934 1.424 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507984221 ZQQHJPWLWWPHAP-PMPSAXMXSA-N 422.555 1.056 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1508112717 RCNDDUUBTSNLDQ-DLBZAZTESA-N 417.535 1.946 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCC2(O)CCOCC2)C1 1508120105 YXAOGVRGRXSVHC-INIZCTEOSA-N 400.483 1.448 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1511991247 YBUMQICBUKGTNV-HZSPNIEDSA-N 406.512 1.884 30 10 HDEE COC[C@@H](F)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1518728720 HJXMZOBLYIVVTH-CJNGLKHVSA-N 424.502 1.381 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)C2(C#N)CCSCC2)CC1 1526730566 LCDUOASURKKLOC-UHFFFAOYSA-N 410.540 1.657 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1539174663 KGGKYHZRXFYZIK-AWEZNQCLSA-N 420.315 1.738 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(F)cc(F)c(F)c1F 1539259861 JEVMWRLFZKVUEK-AWEZNQCLSA-N 405.355 1.907 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1539368669 ARYLSMTWZTVYTR-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1539447297 QERUSPYNVSHIJS-DYESRHJHSA-N 415.563 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(F)cn2)CC1 1539477691 VWJUZPXMQLBKBM-UHFFFAOYSA-N 420.452 1.283 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H]1CCCc2c1cnn2C 1539513292 IEZJJWAWVLEWKF-CVEARBPZSA-N 413.551 1.843 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1539642060 OVHGGKJGGPOVCP-PXCRPINLSA-N 419.570 1.953 30 10 HDEE C=C(Cl)Cn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1539791586 XVQDTWRMFGZLER-CQSZACIVSA-N 400.870 1.153 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539983097 VIXAZYQCTBFNJF-KBPBESRZSA-N 414.532 1.131 30 10 HDEE CCNC(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1540706492 SUSWXAYBQMLSEQ-UHFFFAOYSA-N 419.434 1.890 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1540873802 KIYHYDONVZSLNH-FQEVSTJZSA-N 424.549 1.388 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(OC[C@H]3CCOC3)CC2)nnc1C(C)(C)C 1540876303 NFHJGJAHUZENBM-INIZCTEOSA-N 405.543 1.900 30 10 HDEE CC(C)(C)OC(=O)NCCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1541216810 SISGKSBNSOYFGU-JKSUJKDBSA-N 420.514 1.816 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCO[C@@H]1C 1555559460 XCDACCMAWKRRGZ-DNVCBOLYSA-N 405.524 1.837 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1557384471 PBSUVVUODRTXDO-IBGZPJMESA-N 415.515 1.699 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(-c3cccc(Cl)c3F)no2)c(=O)nc1O 1557602902 SNOFKDNXMSLNFQ-UHFFFAOYSA-N 403.757 1.698 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)Nc2cc(-n3cnnn3)ccc2F)C1 1560056470 JSNDYFSYTUPIFX-FQEVSTJZSA-N 406.425 1.692 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCc3c(sc(N)c3C#N)C2)c1 1560200833 NZJGHYGWUFHFOR-UHFFFAOYSA-N 408.480 1.741 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1563028251 QJMGXRJKTPBYHU-MRXNPFEDSA-N 409.508 1.430 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 1568181290 ORRBBRQLXTWCPW-HNNXBMFYSA-N 423.516 1.727 30 10 HDEE CC[C@H](COCC(F)(F)F)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1569529535 OHHBTOVHQSNXDW-CYBMUJFWSA-N 407.414 1.966 30 10 HDEE CCS(=O)(=O)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1570339980 RJCPIZCEEQCAFK-HVEKOLDVSA-N 413.540 1.714 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1585972939 GWLMTRFZJZECQL-GJZGRUSLSA-N 400.541 1.917 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)N1CCOCC1 1587777331 AYQHQJBUQYMHFT-UHFFFAOYSA-N 416.551 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1(N2CCOCC2)CC1 1588154577 FLMFGJLTNZPAKT-UHFFFAOYSA-N 410.547 1.571 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC(C)CC1 1588266543 RSXBRXHNYYKURM-IAGOWNOFSA-N 410.588 1.468 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CCS(=O)(=O)NC(C)C 1588297751 GICIXFQYORCFCJ-UHFFFAOYSA-N 405.524 1.741 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(Cc2cc(C)no2)CC1 1595476741 NBRWAFUVNKZSJU-HNNXBMFYSA-N 401.515 1.712 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ncccc2C)C1 1595723026 QBZKQGKNPUQTJR-DLBZAZTESA-N 417.535 1.713 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)COc1cccc(Br)c1C#N 1596580090 GMABBVHTZANQAQ-GTNSWQLSSA-N 411.252 1.879 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)COc1c(C)cccc1C)c1cc[nH]n1 1597384400 UYVNOHGZKLEAPS-HNNXBMFYSA-N 402.451 1.894 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C1CC1 1597504808 PUBXXVJYWRXSBW-CABCVRRESA-N 404.471 1.650 30 10 HDEE N#C[C@@]1(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCOC1 1611035754 KXKUQLVFXYXRIC-INIZCTEOSA-N 417.940 1.945 30 10 HDEE COCCOCCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1620071324 KYQVKROZFDLACM-SFHVURJKSA-N 411.510 1.570 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCNC(=O)c2cccs2)CCO1 1620355143 GZNPIFUCHJKXJS-INIZCTEOSA-N 423.502 1.484 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3nc(O)c(C#N)cc3C)CC2)cc1 1624022899 HRBGKWVCBYXPKB-UHFFFAOYSA-N 416.459 1.123 30 10 HDEE C#CC[C@]1(C(=O)N2CC[C@H](c3cc(O)nc(O)n3)C2)CCCN1C(=O)OC(C)(C)C 1628251513 KNGJIXSRIOHFLS-LHSJRXKWSA-N 416.478 1.997 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(N3CCc4sccc4C3)nc2)c(=O)nc1O 1629484589 BLCQIABAUWXKLK-UHFFFAOYSA-N 422.470 1.869 30 10 HDEE CN1CCC[C@@H](N2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1633591335 FUFANQVVNSESMM-MSOLQXFVSA-N 407.559 1.812 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)[C@H]1c1cccnc1 1635421570 SJSOIHJSMFKDRA-LVCYWYKZSA-N 404.474 1.971 30 10 HDEE CC#CC[C@H](CO)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1635471822 PLEPBIUJZNNYFN-QFBILLFUSA-N 421.563 1.689 30 10 HDEE CO[C@](C)(C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1635702027 YOJXIDVTJCPBTP-HRAATJIYSA-N 401.463 1.522 30 10 HDEE C=CCOC[C@H](NC(=O)C[C@@H]1C(=O)Nc2c(Br)cccc21)C(=O)OC 1639559216 VENWWQKYNHRRHV-AAEUAGOBSA-N 411.252 1.735 30 10 HDEE COc1ccc(N(C)CCN(C)C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1640771901 TZSYPIFSDIJMRX-UHFFFAOYSA-N 416.503 1.440 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(C2CCCCC2)C1 1641721156 AXZAIOJMQNMDFJ-HNNXBMFYSA-N 404.536 1.638 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1641809957 BALITVXEBNQMJF-NRFANRHFSA-N 414.462 1.616 30 10 HDEE C#C[C@H]1COCCN1C(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1642431267 ZMGKEUJJFZQHIV-KRWDZBQOSA-N 424.314 1.566 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OC 1642698492 WXWDRLHXSGFQSU-LBPRGKRZSA-N 405.270 1.334 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3CS[C@@H](Cc4ccccc4F)C(=O)N3)CC2)C1 1645738028 UDDRJDFFLQNTMS-ROUUACIJSA-N 418.490 1.833 30 10 HDEE CN(C[C@@H](O)CN(C)[C@@H]1CCN(c2sccc2C#N)C1=O)C(=O)OC(C)(C)C 1648041036 IEYYYAGUKZPACJ-LSDHHAIUSA-N 408.524 1.885 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1648293486 GDTOAARRLWEPMT-HXUWFJFHSA-N 415.519 1.977 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@H]2CCC[C@@H](C(F)(F)F)O2)c1=O 1652998301 NPBGDBSKUSQHLU-OLZOCXBDSA-N 417.384 1.723 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CCO1 1654266737 ARLIVBZGOJEKSO-LSDHHAIUSA-N 405.524 1.649 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)Cc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 1654984485 NZMFBZIYPOKFLJ-UHFFFAOYSA-N 405.476 1.857 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(c2cc(F)c(C#N)cc2[N+](=O)[O-])CC1 1655208100 GDSOQHLCUUSPMV-UHFFFAOYSA-N 400.432 1.482 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2)C(=O)OCC 1655358516 GYTRQIFVFALTSX-AWEZNQCLSA-N 400.522 1.829 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C[C@@H](C)S1(=O)=O 1655529894 GCVFLDYHCDVLKX-AOOOYVTPSA-N 407.311 1.517 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N[C@@H]1CC[C@H](C#N)C1 1657715320 FHDCNMHVYNRALQ-LSDHHAIUSA-N 422.507 1.920 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1663183413 QBTCJGJEFDSMJD-MRXNPFEDSA-N 411.524 1.719 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CC)CC2 1664294943 COGGVWPZNITKNX-UHFFFAOYSA-N 406.504 1.951 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1665325936 OJMVRKPVYRMMSC-HNNXBMFYSA-N 406.508 1.798 30 10 HDEE Cc1cc(NC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)ncc1C#N 1673976439 GKINLKPQWHUDRB-UHFFFAOYSA-N 409.475 1.681 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2cccc(Cl)c2)C(F)F)CC1 1680207010 FHMSRMUBBOOPLG-CQSZACIVSA-N 420.869 1.441 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@H]2CCC3(CCOCC3)O2)C1 1681435156 SQPDWHRCZVHRBH-XHSDSOJGSA-N 408.499 1.773 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2ccsc2C#N)CC1)C(=O)N1CCOCC1 1683386415 PVEXASPWENXPCW-INIZCTEOSA-N 419.551 1.725 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CN(C(=O)OCC)C[C@H]1CO)c1ccc(Br)cc1 1686921823 TXLMJZNIVDIDOV-CWRNSKLLSA-N 424.295 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](CNC(=O)N2CC[C@@](O)(CC#N)C2)C1 1687603650 QBBBQZCJYVEEHY-DYVFJYSZSA-N 402.442 1.939 30 10 HDEE C#CCCCn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1689915068 OVROJKUCFKWLJA-LJQANCHMSA-N 419.489 1.700 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689975214 OLRUAVNPGGJCQQ-QGZVFWFLSA-N 417.535 1.516 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C2CC2)O[C@H](C)C1 1690175521 ZAFCYZMWSHGBBW-DJIMGWMZSA-N 424.592 1.550 30 10 HDEE C=C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCN(C(C)=O)CC2)CC1 1690361162 IVUWVJQBNFVZSE-UHFFFAOYSA-N 400.527 1.929 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1690512077 LVLYUTVTFXGMFG-ULQDDVLXSA-N 421.498 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](OC)C1 1690723352 OYLWUWIISDHIOU-INIZCTEOSA-N 405.524 1.865 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)C1 1696496350 XJQHYIWQNHDLNU-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1Cc1nnc2n1CCC2 1698134142 BVNLOOHSCNZUFJ-OAHLLOKOSA-N 414.514 1.718 30 10 HDEE CS(=O)(=O)CC1(Cn2c(Cc3ccccn3)nnc2N2CCC(C#N)CC2)CC1 1698301548 GHDFPHMRZXVQBM-UHFFFAOYSA-N 414.535 1.829 30 10 HDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CCS(=O)CC1 1705526493 LEXKELWKCQXTLF-UHFFFAOYSA-N 418.519 1.953 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC[S@@](=O)CC)CC1 1705637128 KMCISGJOIHCDMV-LJAQVGFWSA-N 415.519 1.198 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1705659733 FBMYYMHQNONFMV-KRWDZBQOSA-N 405.568 1.843 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN1CCOC(C)(C)C1 1705667795 UEIXXNUJQLZSAE-OAQYLSRUSA-N 402.543 1.519 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705728007 PHVYYUGUTYDGOC-KRWDZBQOSA-N 402.543 1.666 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1705728530 NQEVQTKZQFTENI-XLIONFOSSA-N 402.499 1.608 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705746175 RCUSZGIZXSJNHQ-KGLIPLIRSA-N 406.936 1.768 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1705830327 MUUSDJHJWSNYGR-APWZRJJASA-N 410.540 1.390 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CC(N)=O)CC1 1705898321 HWRSAXMNBFGLCA-UHFFFAOYSA-N 417.901 1.388 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(O)CCCC2)CCOC1 1706678147 CQRXUVFGTOXDLS-OXJNMPFZSA-N 405.499 1.353 30 10 HDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1712172316 YBTSIUAXUPNLEJ-KGLIPLIRSA-N 413.457 1.915 30 10 HDEE COCCN(CC1CC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1712448743 DNQOYSXMOQBWKH-ZCXUNETKSA-N 416.526 1.965 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC(C)(C)COC)CC1 1722166761 BJCUSWOCNYUNLM-IYWGDAJJSA-N 402.535 1.925 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CC3)n2C[C@]2(O)CCO[C@@H]2C)c1 1722308564 CLGRIXJVEJDWOJ-IVZQSRNASA-N 409.490 1.752 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(N(C)C)CCSC1 1722430263 CHVWFGILLFRUKR-FQEVSTJZSA-N 416.551 1.903 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnn(-c2ccccc2)c1 1722447342 KJNOBOSQPZHNGT-LJQANCHMSA-N 419.489 1.549 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722459859 SLORZAWCXDXHRZ-MBOZVWFJSA-N 406.552 1.923 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1722460069 BRKGAAFPCYDSOE-LJQANCHMSA-N 423.546 1.942 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1722474152 HWEAEFVJCPJQHM-LJQANCHMSA-N 419.576 1.958 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1722526079 NPYWKNXFIWYAAG-BXWFABGCSA-N 410.540 1.593 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(CCCOCC(F)(F)F)CC1 1722682034 JWVGCFKLGZMEAC-UHFFFAOYSA-N 418.464 1.693 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H](c1cccs1)N1CCOCC1 1722685067 MSIBSTQGBVNGDK-CVEARBPZSA-N 416.551 1.986 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1722687966 YDMURSACFPARKU-UHFFFAOYSA-N 408.506 1.478 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722693015 BFNVGBUMPLZHSJ-CQSZACIVSA-N 403.870 1.900 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(Cn2cncn2)CC1 1722698891 OLOSWFIOJWACHC-UHFFFAOYSA-N 400.531 1.677 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NCc1ccccc1 1723770645 BVGHIXQIGDHYSH-WBVHZDCISA-N 409.494 1.674 30 10 HDEE C[C@H]1CCCN1CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1726584785 GPAOGIWJINCAAN-WMZOPIPTSA-N 423.521 1.525 30 10 HDEE CC/C=C\Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1727861790 MMMWMISUCBCUNN-YIEVGGLXSA-N 408.528 1.317 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1728753969 FMJCPGPBSKLAOY-IWMITWMQSA-N 416.526 1.679 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCSC1)[C@@H]1CCOC1 1729369830 PSKIXZGJTVMMGS-OXQOHEQNSA-N 415.519 1.822 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1729832281 AMCSIDFYQHMXHX-INIZCTEOSA-N 406.494 1.912 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)CC#N)CC1=O 1730777665 HLLSDDICYOQWHS-BRWVUGGUSA-N 404.515 1.753 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(CC(N)=O)CC3)n2CC2(O)CC2)cc1 1731182440 IRMDGHBBCUQXDS-UHFFFAOYSA-N 410.478 1.345 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1740531367 KQCYBXWQWULPNX-MRXNPFEDSA-N 411.510 1.494 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(N(C)C)CCC1)[C@@H]1CCS(=O)(=O)C1 1740617967 ZOPURKPUHYHCER-IAGOWNOFSA-N 407.584 1.903 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1740620216 CGSDWQWRDLMULC-ZWKOTPCHSA-N 413.503 1.312 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCn1cc(Br)cn1 1740640197 ZRJYOQOWEUVQEG-CQSZACIVSA-N 403.284 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@]2(O)CCC[C@@H]2C)CC1 1740703779 ADAMZVOYJZXWAE-GAJHUEQPSA-N 424.549 1.801 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1740810668 DZHNPWMOYIANGR-UTUOFQBUSA-N 402.860 1.047 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1741123951 CIUMLCIZSFFPBU-MZZPOWALSA-N 424.571 1.425 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1=O 1748046731 CUPSOCROBUKXHU-PMACEKPBSA-N 416.432 1.916 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1748698070 QBPOLSONLHZEED-HXUWFJFHSA-N 419.551 1.333 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1748824354 OMPBGKLETUFLOJ-MRXNPFEDSA-N 410.540 1.258 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748931174 OOODGHZOARXTIU-HNNXBMFYSA-N 422.580 1.375 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@]1(O)CCOC1 1748945532 SYVHSPINJUMVSC-UTKZUKDTSA-N 400.454 1.712 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749427866 VOCMNDPYBKGWEY-WMZOPIPTSA-N 418.567 1.949 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC 1749573706 IGDSLQLUVOYCFN-UHFFFAOYSA-N 407.496 1.619 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749668592 ARFWQOUALOOWSJ-MRXNPFEDSA-N 415.494 1.738 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(NS(C)(=O)=O)CC1 1749751292 PJEVYVQYIFZDPZ-UHFFFAOYSA-N 424.596 1.721 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H](O)C1 1760208893 MLDBCCHHQMOWFQ-ZWKOTPCHSA-N 406.490 1.939 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1760226875 MKENAFRJYQCXCP-UHFFFAOYSA-N 406.468 1.204 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSc2ccccc2)CC1 1760259669 FVIUENXVBRIRMO-GOSISDBHSA-N 410.547 1.777 30 10 HDEE C=C1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCNS(=O)(=O)CC)CC1 1760385195 MHVAANZOUHGMLQ-UHFFFAOYSA-N 420.495 1.949 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCOCC1)C1CC1 1760471443 WAXNKJMECIALIS-OAQYLSRUSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](CC(C)C)C1 1760516787 VJZOMLTVPSQBAY-HUUCEWRRSA-N 412.560 1.063 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C1CC1 1762239470 GOMCIVJXMDVGJP-IBGZPJMESA-N 405.478 1.165 30 10 HDEE CCc1nnc(N(C)C2Cc3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762848283 RHBLKWZSGFEFKU-MRCUWXFGSA-N 406.490 1.971 30 10 HDEE CC/C=C/Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765342774 OIFBWGIJCSSPKC-IDOMTICXSA-N 406.494 1.789 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1766689831 GWRSVCGTRPICFX-DYESRHJHSA-N 417.558 1.718 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(C)COCCO1 1768932529 SJOSKWYRORDQTE-NRFANRHFSA-N 407.478 1.955 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCCOCC(F)F)CCN1C1CC1 1771537389 NKRALIRNJDSCOS-OAHLLOKOSA-N 418.452 1.583 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)c1 1848905396 NBHISXQLZDKBAL-SFHVURJKSA-N 412.490 1.598 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(-c2ccccc2Br)[nH]n1 1850017228 YZJVNXLCEBCNAN-UHFFFAOYSA-N 403.280 1.905 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)O[C@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)n1 1852396882 IYDPCALAVLBOFX-PKOBYXMFSA-N 418.453 1.739 30 10 HDEE Cc1cc(C(F)(F)F)nc2nc(=NC(=O)Cc3cc4c(cc3C#N)OCO4)[nH]n12 1853183345 JCAIIMSWSPPAST-UHFFFAOYSA-N 404.308 1.655 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCC(C(F)(F)F)CC3)C2=O)CC1=O 1853812633 RZQGBXNRDWZEOB-DZGCQCFKSA-N 401.429 1.813 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@H]1CCS(=O)(=O)C1 1854011677 GQDUHKAGSJBXPP-OALUTQOASA-N 417.531 1.375 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2ccc(OCC)nn2)C1=O 1854303315 XCGZXRLYMHHWDT-IRXDYDNUSA-N 415.494 1.115 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)[C@@H]1C 1854311024 BCDOVXVHFJPWFP-ZWKOTPCHSA-N 419.547 1.641 30 10 HDEE N#Cc1cccc(OCC2CCN([C@H]3CCCN(C(=O)C4CC(=O)C4)C3=O)CC2)n1 1854422431 PEUMYAAUHPUASG-IBGZPJMESA-N 410.474 1.541 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCC(F)(F)C2)C(=O)C12CCCCC2 1854426873 DAEOQDDMGJVFOX-CYBMUJFWSA-N 403.451 1.649 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cc(Br)ccn3)C(=O)C2)C1 1855072263 DWFNQIKZZIJTJV-CQSZACIVSA-N 406.284 1.116 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(c3ccc(OCC)nn3)CC2)CCC1=O 1855133387 RAMBHRPXENIQOJ-KRWDZBQOSA-N 401.511 1.729 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1855312752 XJCYBRPTCLKCFD-WMZOPIPTSA-N 409.552 1.382 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(N(C)C)nc2)CCN1CCOc1ccc(C#N)cc1 1855880193 UOEFRMCUPCSXGF-INIZCTEOSA-N 407.474 1.771 30 10 HDEE C[C@H](C(=O)N1C[C@H](C2CCN(CCC#N)CC2)CC1=O)n1nc(C2CC2)ccc1=O 1856150217 JAZFMKWNLFVGKZ-CRAIPNDOSA-N 411.506 1.682 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(C)Cc3nc(C4CCCC4)no3)C2=O)CC1=O 1856293624 QIVWXVLBKAUWBK-JKSUJKDBSA-N 415.494 1.321 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)C2CC3(CCOCC3)C2)C1=O)[C@@H]1CCN(C)C1=O 1856725250 KEVMRJBODSBMMO-ZWKOTPCHSA-N 403.523 1.430 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2c3ccccc3nn2C)C1=O)[C@@H]1CCN(C)C1=O 1856748216 HTSJBTKUNJHIPE-ZWKOTPCHSA-N 409.490 1.423 30 10 HDEE COC[C@@H](C)N1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1856828300 BDIDFKBDUXWZSE-NVXWUHKLSA-N 418.925 1.800 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2c3ccccc3nn2C)C1)[C@H]1CCN(C)C1=O 1857263496 HIHWPVKJKICYJK-QAPCUYQASA-N 409.490 1.281 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2snnc2CCC)C1)[C@H]1CCN(C)C1=O 1857276485 BVNZJAOHUQETAO-HIFRSBDPSA-N 405.524 1.198 30 10 HDEE COc1ccc(C(=O)NCC(=O)Nc2cccc(C#N)c2)cc1N1CCN(C)CC1 1868161115 AZEYAZGZVFGEOV-UHFFFAOYSA-N 407.474 1.687 30 10 HDEE C#CCOc1cn(CCCOC(C)C)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870561868 GYEWPHLGXUWCNZ-UHFFFAOYSA-N 419.522 1.950 30 10 HDEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN2CCN(C)CC2)cc1=O 1870563657 KLMFISMWVMFBAB-NRFANRHFSA-N 415.921 1.995 30 10 HDEE Cc1ccc(/C=N/Nc2cnn([C@@H]3CCS(=O)(=O)C3)c(=O)c2Br)o1 1873527287 SLNVKCZJBGBZRR-WTSVEOLSSA-N 415.269 1.713 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)C3CC4(CCOCC4)C3)CC2)CC1 1889293277 HCWZXJCYLZKYBA-UHFFFAOYSA-N 417.594 1.842 30 10 HDEE Cc1ccc(-n2nnnc2CN2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)cc1 1891234142 HOJKOHSNMQMBHY-UHFFFAOYSA-N 401.474 1.729 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@@H](O)CNC(=O)OC(C)(C)C)[nH]1 1900334236 PGHUZJLOFSIFEB-OAHLLOKOSA-N 407.320 1.409 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 1903633960 KLPQQUGPZSAWKQ-GFCCVEGCSA-N 411.283 1.239 30 10 HDEE C=C(CNC(=O)c1c(CNC(=O)OC(C)(C)C)nnn1C)B1OC(C)(C)C(C)(C)O1 2020853113 KDUKJOODOVCAES-UHFFFAOYSA-N 421.307 1.757 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)cc1C#N 2054402929 JRMGSYFWKMKKRL-ROUUACIJSA-N 400.460 1.997 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@H]4OCCO[C@@H]4C3)c(Br)c2)OC1(C)C 2116147996 JSWFGVIWNSFFJD-ZIAGYGMSSA-N 411.105 1.747 30 10 HDEE CO[C@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)N(C(=O)OC(C)(C)C)C1 2118172033 YLSWMEJQKMSMGK-NEPJUHHUSA-N 401.510 1.922 30 10 HDEE COC(=O)C1(NS(=O)(=O)CC2(C#N)CCCC2)CN(C(=O)OC(C)(C)C)C1 2174789902 WPYVWRDECYMWAP-UHFFFAOYSA-N 401.485 1.152 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N1C[C@@H](NC(=O)OC(C)(C)C)CC[C@@H]1C(=O)O 2188791141 OQCKONSRAWECQI-UONOGXRCSA-N 403.501 1.348 30 10 HDEE C=CCN(CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)C(=O)OC(C)(C)C 2243684644 DMNQGNKQCASWCX-UHFFFAOYSA-N 424.332 1.621 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2247803097 AZUPKUAJZGKTNY-YCRPNKLZSA-N 420.315 1.906 30 10 HDEE C[C@@H](CCOCc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247824806 VPPZCZMEOWLVSG-HNNXBMFYSA-N 414.315 1.840 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@H](C3OCCO3)C2)OC1(C)C 2255947607 BNQANPVTABPLOM-GFCCVEGCSA-N 415.342 1.431 30 10 HDEE C=CC[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258176455 DMSDNESAYLUPKN-RDJZCZTQSA-N 410.492 1.984 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34COC[C@@H]3C4)cc2Cl)OC1(C)C 2267356483 YPWMKXNRLMIATA-BJOHPYRUSA-N 405.734 1.768 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@H]3C[C@@H]3N)c(Cl)c2)OC1(C)C 2267725107 TUTQBCSKZMFBEX-RYUDHWBXSA-N 407.128 1.671 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282329835 RXZFCCLVLMQHCT-UHFFFAOYSA-N 400.331 1.598 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCC[C@@H](CO)C2)OC1(C)C 2282340952 LRXWTBWYCXMNGT-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282489086 FMMFZOCRQONLEE-QWHCGFSZSA-N 400.375 1.680 30 10 HDEE C=CCOCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503865 GZIGDFOFYSVLQC-UHFFFAOYSA-N 402.347 1.454 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3C[C@@H](O)CCO3)sc2Cl)OC1(C)C 2282626752 DMENJYCTAUZLKS-WDEREUQCSA-N 401.721 1.970 30 10 HDEE CN(CC(C)(CO)CO)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282647303 ZXCXDRYMBSLXSC-UHFFFAOYSA-N 403.737 1.764 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@H]2C[C@@H]21 2282839777 AGMLOBRLRJCSJM-RYUDHWBXSA-N 418.777 1.778 30 10 HDEE CC[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854567 TZXRVXGCQMLQNB-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2342052475 UVHMSLJBCFYTOW-CABCVRRESA-N 402.582 1.885 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(CC[C@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365213208 TUNSDMHWOBYHMX-KWUTWHQWSA-N 400.541 1.339 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367784759 PXHQWPHSUQWSPX-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CS[C@@H]1CC[C@H]1N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2381815455 BGXFDAZNXLIWSP-CHWSQXEVSA-N 401.363 1.234 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)Cc1ccc(C#N)cc1 2382017577 MZXXVSUXZKGLKH-UHFFFAOYSA-N 402.217 1.838 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccc(C)cc2)n1N)c1ccncc1 21324463 OBRBAVHPPBQVCP-OEAKJJBVSA-N 410.507 1.940 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CCCCC1 57381964 ZZRUHKRVXVZKQK-UHFFFAOYSA-N 406.464 1.902 30 10 HDEE COC(=O)c1cc(N=Nc2c(C)c(C#N)c(=O)n(CCO)c2O)cc(C(=O)OC)c1 252613259 JAGSMXGMRNGBCL-UHFFFAOYSA-N 414.374 1.715 30 10 HDEE C[C@@H](C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1)n1cnc(C#N)n1 409632531 RQFQFWMWLVFHNY-LBPRGKRZSA-N 417.267 1.458 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2c(C)oc3nc(O)n(-c4ccccc4)c(=O)c23)C1=O 410177755 HEAXKSGOVZYZEQ-OAHLLOKOSA-N 422.441 1.852 30 10 HDEE Cn1nccc1[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 410288796 OAWLSMIGWCJYTA-GOSISDBHSA-N 401.492 1.979 30 10 HDEE CCO[C@@H]1C[C@]2(NC(=O)N([C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C2=O)C1(C)C 431598034 ALBQUZNBUPQLNR-GSHUGGBRSA-N 410.474 1.785 30 10 HDEE CCNc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 432900551 GPNVUXVDSHRUQQ-UHFFFAOYSA-N 405.505 1.593 30 10 HDEE CCOC1CC(CNC(=O)NCCOc2ccc(C#N)cc2)(N2CCOCC2)C1 444152365 MYDYMYATGQAWRI-UHFFFAOYSA-N 402.495 1.506 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(c3cc(OC)ncn3)CC2)c(OC)c1 461353840 WXVWSDPPHRMZEI-SFHVURJKSA-N 414.506 1.784 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)ccc1F 462692551 XYUCGRHULGMKGX-UHFFFAOYSA-N 409.464 1.716 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 463526734 YUMXSHFOHIXEPT-UHFFFAOYSA-N 403.464 1.623 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCn3c(O)nnc3C1)CCCC2 475127521 ILNXTYHCAQQQKM-UHFFFAOYSA-N 417.473 1.979 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C(=O)Nc3ccc4c(c3)CCCO4)C2=O)cc1 488645667 GBMRECHYSHFRGI-LJQANCHMSA-N 418.453 1.739 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C(=O)N4CCCC4)n(C)c3=O)cc2s1 491580752 FGURZTAMXNLOLB-UHFFFAOYSA-N 410.524 1.490 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCN1CCN(c2ncccn2)CC1 505728971 HJVIAEPNFVRZPZ-OAQYLSRUSA-N 416.526 1.367 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C)cc2C1=O 534051138 OKDMRQMEFNVGIC-SFHVURJKSA-N 414.506 1.291 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3ccnc3C#N)cc2)C[C@@H](C)O1 537795004 HRARGRSFSZAQAF-OKILXGFUSA-N 403.464 1.191 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CC[C@@H](Oc4ccc(C#N)cn4)C3)c2C)nn1 561103495 YTUVSHOYAKOEQL-MRXNPFEDSA-N 419.445 1.930 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@]2(CNC(=O)C2)C1 566809640 SGGPWELMEFIUDJ-OAQYLSRUSA-N 405.462 1.886 30 10 HDEE N#Cc1cccc(C(=O)[C@@H]2C[C@H](NC(=O)CN3C(=O)c4ccccc4C3=O)CCN2)c1 585824009 DUSTYFQLYDQDFF-APWZRJJASA-N 416.437 1.274 30 10 HDEE CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 610589853 XBJFDNDVATVAMV-UHFFFAOYSA-N 411.427 1.233 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)s1 623010601 FWNQBODBPDTPQW-UHFFFAOYSA-N 415.540 1.240 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 670223288 VWJUUPBPXOWMIS-UHFFFAOYSA-N 412.538 1.686 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCCC2)n(C[C@@H]2CCCO2)c1=O 679755112 KCNDXIIYFWZHFI-INIZCTEOSA-N 412.515 1.085 30 10 HDEE CC(C)[C@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C 729699184 FLBZAGBDSGKAGJ-SFHVURJKSA-N 423.535 1.942 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732465435 FFSDBFGYZDOBMN-UVTIVQHFSA-N 421.498 1.554 30 10 HDEE CCCCCNC(=O)[C@@H](C#N)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 732495113 QPLSPTSKIUVIEF-PKOBYXMFSA-N 410.474 1.477 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C4CC4)[C@H](C#N)C3)C2)s1 732647366 GZOLXWAKLXXXHX-DOTOQJQBSA-N 422.576 1.656 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)N2CCSCC2)sc(=Cc2ccoc2)c1=O 732663765 FOQFJDWQKLKRKH-UHFFFAOYSA-N 403.529 1.237 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 745100084 MCBOPPSONIYHLD-UPTRSRDDSA-N 407.423 1.025 30 10 HDEE COCCOc1cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)ccc1OC 747495705 SKZVSVKVPOAGGC-UHFFFAOYSA-N 413.430 1.856 30 10 HDEE C#CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)[C@H]1CCS(=O)(=O)C1 751273481 HWKMFTXOUGUFGU-KRWDZBQOSA-N 422.462 1.750 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1)C1CC1 754374006 SSXRGQVDCRHICX-GIIHOQTISA-N 416.547 1.755 30 10 HDEE CCc1c(C(=O)OCC#Cc2cccc(OC)c2)cnc2c1c(=O)n(C)c(=O)n2C 754533750 APDYZONBCUXOKU-UHFFFAOYSA-N 407.426 1.412 30 10 HDEE C=CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(CC)nn(C)c2CC)c1=O 755621161 QBEVAHCOGHGBHB-UHFFFAOYSA-N 410.543 1.826 30 10 HDEE N#Cc1ncccc1S(=O)(=O)NCc1ccc(N2CCN(CC3CC3)CC2)cc1 758137646 UONCYLNDLKITJM-UHFFFAOYSA-N 411.531 1.964 30 10 HDEE Cc1nccc(N2CCN(CN3CC(=O)N(Cc4ccc(C#N)cc4)C3=O)CC2)n1 758979419 CDWRXUUEXKQDHF-UHFFFAOYSA-N 405.462 1.201 30 10 HDEE C#CCN(C(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 774156743 PGWAQJRPSPNHBT-VQTJNVASSA-N 419.547 1.200 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)NCc2ccc(C#N)cn2)ccc1Br 782129185 GKVNNENTDAQPEE-UHFFFAOYSA-N 417.219 1.757 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C(=O)c3c(Cl)ccc(F)c32)n1 788370648 VZXNIPYOQLFDHW-UHFFFAOYSA-N 404.829 1.944 30 10 HDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 790018387 IGJCYSGNXJUXML-KRWDZBQOSA-N 420.535 1.645 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(CO)CC2(CCC2)C1 790085830 XJBKEXCNJOCZBT-UHFFFAOYSA-N 405.520 1.564 30 10 HDEE CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801972734 BAINVAGCMBYIDW-OAHLLOKOSA-N 404.478 1.388 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H](OC(F)F)C1 802308408 BLGAELLYROICLG-GXTWGEPZSA-N 415.462 1.980 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)N2CC[C@@](F)(C#N)C2)cc1 806745651 KBRXXCISJYFSGW-ORAYPTAESA-N 406.414 1.464 30 10 HDEE COc1ccc(-n2nnc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)c2C)cc1 916775860 IPHNPEKLOJXYCZ-UHFFFAOYSA-N 411.443 1.716 30 10 HDEE CC(=NNc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1)c1cccnc1 1084478572 VKZJPRSWAWCBPQ-UHFFFAOYSA-N 415.483 1.951 30 10 HDEE C=CCN1C(=O)COc2cc(Cl)c(-n3c(O)nc(C(F)(F)F)cc3=O)nc21 1088716948 REBFIXCJUHGZBZ-UHFFFAOYSA-N 402.716 1.917 30 10 HDEE CC(=O)N[C@H](C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)C(C)(C)C 1125135875 OBJCSTKGNQYJPP-VULIGXMUSA-N 408.524 1.989 30 10 HDEE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@]3(C#N)CCCOC3)cc2)n1 1129416878 SMUMSXMWCZTXSC-SFHVURJKSA-N 401.448 1.845 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1133320239 BXJWAJYRGCBETF-UHFFFAOYSA-N 415.397 1.561 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3noc4c3COCC4)CC2=O)cc1Cl 1134245499 CRLLLLZQQZZKQO-GFCCVEGCSA-N 400.822 1.942 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cnn(CC3CCC3)c2)cc1 1134249687 BMXCUGIJCPJNJJ-UHFFFAOYSA-N 401.492 1.805 30 10 HDEE N#C[C@]12CN(C(=O)CCCc3nnc(-c4ccccc4)o3)C[C@H]1CS(=O)(=O)C2 1134428772 ASDDSGYWQGWLSP-HNAYVOBHSA-N 400.460 1.456 30 10 HDEE CS(=O)(=O)Nc1nnc(NC(=O)c2cccc(C#N)c2Br)s1 1136359354 DLUURHDWMPVLQX-UHFFFAOYSA-N 402.255 1.796 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1138117538 JTUNTNZEUKVERD-KMKOMSMNSA-N 406.391 1.906 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)c12 1142700821 RUIZREDYCATUAW-UHFFFAOYSA-N 402.458 1.903 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 1143458534 PBZCTOIPJMNDQJ-QGZVFWFLSA-N 402.495 1.496 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CC2CCN(S(C)(=O)=O)CC2)C1 1143720493 UUGOVTMDYWHMMH-LJQANCHMSA-N 404.536 1.657 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1F 1158345307 JNWHBTDAJGQACL-ILXRZTDVSA-N 402.513 1.685 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1159763388 SFBIFNHJGCBCRS-CQSZACIVSA-N 422.890 1.421 30 10 HDEE C#Cc1cccc(CNC(=O)CSCCOc2ccc(S(N)(=O)=O)cc2)c1 1161803236 GZQPJFSMJMKXMC-UHFFFAOYSA-N 404.513 1.744 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@H](F)C(N)=O)CC3)ccc2c1=O 1169537882 CHSCDLLHHFXFSA-HNNXBMFYSA-N 404.467 1.547 30 10 HDEE N#Cc1ccc([C@H](O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1171785191 BGFLKKYWNSUTES-HXUWFJFHSA-N 400.504 1.244 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 1177758545 CHIILMRFIVFTCW-HOTGVXAUSA-N 401.511 1.962 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCN(S(=O)(=O)c4cc[nH]n4)CC3)cc2n1 1220157403 IWBLNXVQJRVXIX-UHFFFAOYSA-N 415.479 1.484 30 10 HDEE C=CCONC(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1228429262 OLENHUWFUZIVEZ-UHFFFAOYSA-N 404.286 1.583 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1)c1ccc(Cl)cc1F 1230511614 XHGOLWWFPSQXEZ-XZDPQHSOSA-N 400.859 1.607 30 10 HDEE Cn1cc([C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccc(F)cc2)cn1 1234599422 RNRNSAQEZHRMDT-KVSKMBFKSA-N 417.466 1.228 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C1CCOCC1 1253347692 HOEXVAGHIKKPDR-HXUWFJFHSA-N 419.547 1.748 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1286276713 YMESHCBZLOFVJP-QWRGUYRKSA-N 413.454 1.122 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)N(C)C 1286297821 ZKVPFLAZRTWFHF-HNNXBMFYSA-N 405.524 1.227 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1286297988 DWEBWTWLOVZCOU-NVXWUHKLSA-N 408.510 1.189 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1286323897 JWBXALZQEBLYPD-GOSISDBHSA-N 402.543 1.533 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286324324 MDJINOYTGGDDTK-IBGZPJMESA-N 416.570 1.622 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O 1286354753 UZXFFNLMFOFBDK-UHFFFAOYSA-N 414.535 1.801 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CCC 1286409020 HSUNYLLDYFSKSJ-OALUTQOASA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCCO1 1286462534 LKRWVAZLDHZSHB-INIZCTEOSA-N 422.489 1.457 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2[C@@H]2C[C@H]2CF)n1 1286471388 MGUODMQSPRZWPY-USXIJHARSA-N 415.473 1.242 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1286483873 BQPQJPSIBJJCJF-UHFFFAOYSA-N 406.494 1.403 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCCOC)CC1 1286485144 WBZQXLUILUPPKV-UHFFFAOYSA-N 416.551 1.451 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1286716967 PCBRUWLZFYHUOI-KNQAVFIVSA-N 420.602 1.967 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1286751573 IQGWEGKJJLENNC-UHFFFAOYSA-N 423.399 1.782 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccnn2Cc2ccc(Cl)s2)C1=O 1289451836 HOBOUAPVRPGILW-UHFFFAOYSA-N 407.839 1.562 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)N2CCOCC2)on1 1290964271 BPANJYZXLKJMOC-UHFFFAOYSA-N 421.461 1.457 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@H]1COCCO1 1291605102 GNDNBFAMJLBIRD-SJLPKXTDSA-N 411.510 1.800 30 10 HDEE C#CCN(CC(=O)Nc1cc(C(=O)NCCC(N)=O)ccc1F)C(=O)OC(C)(C)C 1292830585 KLNJSVSIPNDUIH-UHFFFAOYSA-N 420.441 1.240 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CCN(CC#N)CC1 1293420268 KDHVZKUQSNYVHU-IBGZPJMESA-N 402.495 1.670 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1299674722 CAZVSGHWFJKLGE-RDJZCZTQSA-N 405.520 1.993 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)nn1 1299674888 LVQUNCFMZRDFTL-UHFFFAOYSA-N 417.516 1.934 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@H](O)C[C@H]1COC 1300245845 CSDZZPXSTHGWER-QWHCGFSZSA-N 413.268 1.706 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1C[C@@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1300498092 GOWGOZJCLMUYBS-IEBWSBKVSA-N 416.547 1.839 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2(C)CCCO2)CC1 1300682325 KIUILOJRHAZEIM-NRFANRHFSA-N 409.494 1.250 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1300766503 DRULFQPIGUISFT-OAHLLOKOSA-N 409.519 1.195 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@H]1CCCCS1(=O)=O 1300813316 FUKJBAHZXJEPTI-OXQOHEQNSA-N 419.551 1.360 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1300918015 RRVOZGSNVUVQLR-FQEVSTJZSA-N 422.526 1.960 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC2(F)F)CCO1 1303008891 BSXDDYXTUOQXDQ-GJZGRUSLSA-N 408.453 1.955 30 10 HDEE Cn1nnnc1C1CCN(C(=O)COc2cccc(Br)c2C#N)CC1 1303308548 OMHLBEMFPKUVEP-UHFFFAOYSA-N 405.256 1.629 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCC(F)F 1305790440 IGHFFRLXDIQTOH-ZDUSSCGKSA-N 400.430 1.207 30 10 HDEE CC(=O)NCC(=O)N1CCCN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)CC1 1307987018 AUDKPAISUGXCHD-GOSISDBHSA-N 413.522 1.301 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(CCCOC(C)(C)C)CC2)CC1 1308032492 FNPAORHJSSTZNV-FQEVSTJZSA-N 407.603 1.502 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@H](C)CC(N)=O 1358922948 XMMZYBBRYHZACY-CQSZACIVSA-N 403.508 1.462 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1358924262 QSCUDGMOCKKEJC-SFHVURJKSA-N 419.493 1.439 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358959656 NIZHCMJBWOFHHP-AWEZNQCLSA-N 406.483 1.482 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1CC1(CC)CC1)[C@@H]1CCS(=O)(=O)C1 1358966589 RUQDFZCNXNSXFV-MRXNPFEDSA-N 419.551 1.217 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(N2CCOCC2)nc1 1358978381 LAPCYOQPPLPTQG-HXUWFJFHSA-N 420.517 1.525 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1359000299 REDYISKSMVRWDL-NVXWUHKLSA-N 405.524 1.736 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1)C1CC1 1359246958 PQLPDELLVSOJAE-FOIQADDNSA-N 419.551 1.951 30 10 HDEE C=CCn1c(N2CCC(N3CCCNC3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359290268 RVTJZYMKFGIHAV-HXUWFJFHSA-N 404.515 1.500 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1c(C)noc1C 1359291620 XUBOGYKJWOLEOK-UHFFFAOYSA-N 424.465 1.469 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1 1359332092 PALNHGPLDASANV-INIZCTEOSA-N 408.528 1.490 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1359333984 PWHJEGFEWRZXDK-MRXNPFEDSA-N 419.482 1.338 30 10 HDEE C=CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1442037100 WUGKGFSFBFANPG-ZIAGYGMSSA-N 418.512 1.035 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1 1451647745 QWEZMTHZEKDNEF-UHFFFAOYSA-N 419.526 1.834 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)c1 1455018305 WIMWNAOXWOPAPX-MRXNPFEDSA-N 419.425 1.434 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1456737482 ZDUPIVZLCIVYBW-VXGBXAGGSA-N 415.519 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C2(NC(=O)Cn3cc(C#N)c(O)nc3=O)CC2)CC1 1457033057 KYTNHDLNOHJSBF-UHFFFAOYSA-N 417.466 1.116 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@@](C)(C#N)C1 1458020690 BRWCRTKJLVNRJW-NHYWBVRUSA-N 405.398 1.513 30 10 HDEE C#C[C@@](C)(CC)N[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1460133519 ULYDLXOSDCTIGH-UZLBHIALSA-N 407.536 1.734 30 10 HDEE N#C[C@@]12CN(CCC(=O)Nc3ccc(N4CCCC4=O)cc3)C[C@H]1CS(=O)(=O)C2 1460833238 NEARRLKMUFAOKO-YWZLYKJASA-N 416.503 1.012 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(CC(N)=O)CCCCC2)ccc1F 1461805460 SHOPKESWLGUXJS-UHFFFAOYSA-N 411.499 1.846 30 10 HDEE CN(C)S(=O)(=O)CCS(=O)(=O)NCc1cccc(-c2ccc(C#N)s2)c1 1463132126 FRKWRMFCBPATMA-UHFFFAOYSA-N 413.546 1.598 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](C)NC(=O)OC(C)(C)C 1464927574 UMVGGPMRSDLHQT-BHAMAIJVSA-N 408.499 1.814 30 10 HDEE Cn1cccc1[C@@H]1COCCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1466771060 UXRCWUSKCIJLCB-MJGOQNOKSA-N 421.457 1.702 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C 1469560189 HAGXZRRJINHTBS-RHSMWYFYSA-N 409.508 1.708 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1469678940 MTRNIURECCXUCG-CQSZACIVSA-N 409.508 1.694 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@H](Cn4ccnn4)C3)CC2=O)cc1Cl 1470304195 SKKHBADOUYPCSL-ZBFHGGJFSA-N 414.853 1.084 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1471391005 WUXYZSIXMNPTBH-AOMKIAJQSA-N 421.538 1.822 30 10 HDEE Cc1cccc(-c2nc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)c1 1472370020 AMVUGOADKWIBFP-UHFFFAOYSA-N 407.455 1.879 30 10 HDEE CC(C)n1cc(Br)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472370057 BGXSOBSJLKNYEX-UHFFFAOYSA-N 406.240 1.663 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)c1 1472396150 OMMAGKVXBBGMCY-UHFFFAOYSA-N 419.503 1.434 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1473706679 BIHATODVOPIRTB-SMHULIPUSA-N 400.504 1.861 30 10 HDEE Cn1ccnc1C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccccc1 1479030107 DEQXYJOUBNVXHU-QKLQHJQFSA-N 413.503 1.284 30 10 HDEE CCc1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1479623992 VHQMKBMVUQJNSF-SFHVURJKSA-N 400.523 1.435 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H]1C 1502320672 MMTQWRAKWHYNLT-KSFYIVLOSA-N 407.522 1.825 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1503374151 NELKNCYGAZGDNU-LJQANCHMSA-N 423.521 1.412 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(O)CCN(C)C1 1504963576 YCHOGMPBEQZABK-OXQOHEQNSA-N 406.531 1.199 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)C(=O)NCC 1507531779 DCSNKODBRWGJBV-ZDUSSCGKSA-N 400.483 1.626 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1507613635 OIHNNLDXTMXCBT-HZPDHXFCSA-N 416.526 1.946 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(C)cc(C)cc1C 1507642096 GSQPFDKOOWCZTK-GOSISDBHSA-N 413.547 1.935 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(CC)s1 1507643844 ZSNIRRLZEWGFHI-AWEZNQCLSA-N 405.549 1.633 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)c1c(C)noc1C 1507652376 FXLLNWTUWVBXJE-RHSMWYFYSA-N 415.519 1.662 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCc2ccn(C)n2)CC1 1507732141 ISRFPDVKUFBORM-UHFFFAOYSA-N 423.496 1.728 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 1507732882 YQCMHEUFHVCTAA-UHFFFAOYSA-N 422.533 1.827 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C)on2)CC1 1507738690 VQSBZCKESOCMBQ-UHFFFAOYSA-N 406.450 1.046 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CF 1507771529 BFDUNHYWNOPGDN-JTOWHCCKSA-N 411.503 1.134 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507832262 WWECKDNWLVENGW-HUUCEWRRSA-N 407.540 1.251 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1COCCO1 1508995369 FLIXOLQXOPFNEN-GOSISDBHSA-N 411.510 1.800 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1OCC[C@H]1C 1509967736 BZPLUBOFMLWRKD-RVKKMQEKSA-N 412.494 1.854 30 10 HDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2CCS(C)(=O)=O)cs1 1511519036 SFTBMGMKJLAJDX-UHFFFAOYSA-N 408.553 1.809 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCCO1 1512431963 SVZNMDFECSPELD-UFOSLELVSA-N 411.466 1.415 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1516803337 OORVPAVYZGSTCJ-OAHLLOKOSA-N 413.544 1.567 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1 1517304493 CXKMPOVYOPHGRI-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CC3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1521136430 FLFZZDNMXCAHAN-AEFFLSMTSA-N 412.469 1.443 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 1521309380 IMVFKQOKEBSSSE-UHFFFAOYSA-N 408.252 1.865 30 10 HDEE C[C@H](C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1523938109 WSDRDBVBOFVFKU-KBRIMQKVSA-N 406.446 1.700 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1 1528154183 XWUQYMQINWQWIC-QGZVFWFLSA-N 414.483 1.995 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)OCC 1531937191 ULFIODNWKIHWJY-GFCCVEGCSA-N 420.871 1.105 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)c1 1534421927 LJLLVPRENNXMAA-GOSISDBHSA-N 407.445 1.953 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2(CCOC)CC2)CC1 1536641136 DRVJQLDNNQQRPJ-RMMWZPCPSA-N 400.519 1.679 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539079293 RSKBDVJSKFDIBS-HZPDHXFCSA-N 409.556 1.462 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H](OC3CCOCC3)c3ccccc3)C[C@H]1CS(=O)(=O)C2 1539117610 ARQFZPPMNRBKGA-XKGZKEIXSA-N 404.488 1.320 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1539133869 NUXHLKGMTCEOSK-JOCHJYFZSA-N 404.474 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1539403132 OMWXNAGPVQZKSJ-FQEVSTJZSA-N 403.914 1.751 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1539515098 XMUJCCGSBFGJNH-AVGNSLFASA-N 417.457 1.752 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1539966803 MVYXIBVWHXJEDD-SFHVURJKSA-N 418.542 1.713 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)NC 1540126842 OWATXWYCLYHNFD-KRWDZBQOSA-N 405.524 1.524 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(C(=O)N2CCOCC2)CC1 1540607450 NSCUHBOXNLJUNS-QGZVFWFLSA-N 422.526 1.671 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@@H]1CCCOC1 1540904701 OXPRQLSMUOFGEM-SFHVURJKSA-N 419.551 1.728 30 10 HDEE Cc1ccc(OCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1 1542489902 YERUDUIFXUFELU-GOSISDBHSA-N 412.494 1.923 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)C3(n4cnnn4)CCOCC3)CC2)c(F)c1 1544200573 POKQBYCJSRWZHZ-UHFFFAOYSA-N 400.414 1.260 30 10 HDEE COC(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cn1 1545170223 SQIAJXWPLQHMPZ-LBPRGKRZSA-N 416.459 1.002 30 10 HDEE CCN1CCN(c2ccc(Cn3c(C(C)C)nnc3N3CCO[C@H](C#N)C3)cn2)CC1 1547707733 YVDDPXZSGDTDPA-LJQANCHMSA-N 424.553 1.715 30 10 HDEE CS(=O)(=O)CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1555802616 MSRWEEKKOUJWOY-QAPCUYQASA-N 413.519 1.829 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@H]2CCC=CO2)cc1 1555989955 BJDRPVRVKRREAU-GOSISDBHSA-N 408.462 1.748 30 10 HDEE C[C@H]1[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)[C@H](C)CCN1C(=O)OC(C)(C)C 1556509464 HYSABLLXRXEFFU-DVOMOZLQSA-N 419.482 1.361 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cnn(CCC#N)c1C 1556512696 MLWVUXQBMSPKQV-INIZCTEOSA-N 419.482 1.730 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C(F)(F)c1ccccc1C#N 1556788139 IKDLWHJJAOARHL-UHFFFAOYSA-N 422.457 1.892 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)c1 1558050124 NVFSGWDFCUHFJM-RBUKOAKNSA-N 407.536 1.259 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nnnn2CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1558370413 NMTUEEYKXXGVOL-OAHLLOKOSA-N 402.499 1.487 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1562002335 WFAOXBCAQRQXAO-QYZOEREBSA-N 406.504 1.840 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2csc(CNC(=O)c3ccccc3)n2)C1 1564258955 XCMYFMNUOBPJRU-QGZVFWFLSA-N 411.531 1.970 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)CC1 1565237143 ZZMDRMYOULOBGO-IBGZPJMESA-N 414.506 1.684 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(C(=O)NCCc3cccs3)CC2)C1 1565345381 LNPVDSZVILEGME-SFHVURJKSA-N 402.564 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCC(CC#N)CC3)CC2=O)C1 1565440558 UPTGRAUVOWHBHS-OAHLLOKOSA-N 405.499 1.542 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)c1 1565595261 GUPBJQJOYVAJMN-QGZVFWFLSA-N 401.419 1.658 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 1566264058 PKFASUGHRGCMCQ-JZHDPFOFSA-N 407.470 1.453 30 10 HDEE COc1cc(C#N)ccc1C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1566495095 XGDLIIIGZLRLFZ-RBUKOAKNSA-N 404.470 1.896 30 10 HDEE CNS(=O)(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1567742127 UFINNEXIFIBSFU-INIZCTEOSA-N 422.507 1.058 30 10 HDEE C#CC[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)C(=O)OC 1570221792 WHMLDAZPWUZRTB-CYBMUJFWSA-N 424.194 1.427 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1587562314 NXAZZGURLOHTIR-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587632793 OVRVSQHDKVJJIB-IOMROCGXSA-N 409.534 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@@H]1CC 1587641283 YWCGDEBGCVFCAH-KSZLIROESA-N 407.584 1.903 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2Cc2ncn(C)n2)c1 1587693020 OOQWETVWDRFKDO-UHFFFAOYSA-N 404.478 1.779 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1cn(C2COC2)nn1 1587939963 KRXYTYIKYSDZJE-UHFFFAOYSA-N 413.869 1.888 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OC 1588126817 BRNPBBTWUDOYLK-QGZVFWFLSA-N 410.492 1.254 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCn2nc(C(=O)N3CCN(C(=O)CC#N)CC3)cc21 1588262799 PWQCHQMPONUCCZ-AWEZNQCLSA-N 416.482 1.441 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1593741426 OTNXFXLAFHLSTH-ZDUSSCGKSA-N 417.432 1.716 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1594913740 NHXSGBCCSBJDDO-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC)[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1595603095 XSYOTCLWBBCVAH-DYESRHJHSA-N 420.558 1.151 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1596789061 FIQGUEWRYJEXEO-CABCVRRESA-N 411.576 1.359 30 10 HDEE CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1607464230 AOXAQTKQRKGOOI-UHFFFAOYSA-N 411.510 1.805 30 10 HDEE CC(C)N1C[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1610900816 SWPKYGNXMPXTOJ-FMPZLKCCSA-N 404.511 1.899 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1611304190 XJIAVPMFGQWRIT-QFBILLFUSA-N 423.521 1.852 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)OC 1622450611 VXGCTYVXZIGVNR-ZDUSSCGKSA-N 408.398 1.765 30 10 HDEE COc1c[nH]c(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)cc1=O 1624892862 QQVSWEMHBXNOBD-HEHNFIMWSA-N 404.448 1.449 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(C[S@](=O)c3ccccc3)c2)c(=O)nc1O 1628037814 ACGJUBOQWDQYOT-LJAQVGFWSA-N 408.439 1.767 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)c1 1628355552 XFTGDYIDZOVYQO-KRWDZBQOSA-N 416.421 1.624 30 10 HDEE CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1630804181 WJXOYWWCCWVBRV-KEDZRVRNSA-N 404.511 1.804 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 1631838243 ICLXYQMOUQTGCE-FQEVSTJZSA-N 420.517 1.883 30 10 HDEE Cn1cc(C[C@H](CO)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)cn1 1635264905 FXPXAEWCKCLYON-SFHVURJKSA-N 404.511 1.338 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 1636312563 BPUABNOMYYJNQU-WXHSDQCUSA-N 409.936 1.405 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Cl)cc1NS(=O)(=O)c1ccccc1 1636352549 JFYOUMJUFMVAOW-AWEZNQCLSA-N 409.851 1.861 30 10 HDEE COC(=O)NCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1636631897 VYUCASGIGLILMR-INIZCTEOSA-N 402.451 1.865 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)CC2)CC1 1637886085 OSKVLPKDZARHQR-NRFANRHFSA-N 409.534 1.611 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1c[nH]c(C#N)c1)C2 1638288173 HULOGLOBRNCECT-LAPQFRIASA-N 402.451 1.805 30 10 HDEE C#CC[C@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C(=O)OC 1638827942 ZELRJHHPEVYFPJ-KRWDZBQOSA-N 406.504 1.051 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(F)c2)C1 1639265782 ZIOPXOKJZYOMGE-SFHVURJKSA-N 416.478 1.713 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(c4ncc[nH]4)CC3)C2)C1 1639827447 UVTRRJSXFCSHPH-ZGOJQLDESA-N 414.510 1.845 30 10 HDEE CCON(CC)C(=O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1641520997 KXJZOAGFTINVCM-UHFFFAOYSA-N 409.284 1.673 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C#N)c(F)c2)C1 1642815599 DJNNYXZPFHVQDZ-MRXNPFEDSA-N 419.482 1.754 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C)c(C(=O)OC)o2)s1 1643235627 YFNVOXCYTYYURW-UHFFFAOYSA-N 412.489 1.759 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C[C@H]1CCCO1)C(F)(F)F 1643939504 XKUHMCRHCZGYLC-LNSITVRQSA-N 419.425 1.841 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C1CS(=O)(=O)C1 1644168596 VJQJARBCLVGKJG-OAHLLOKOSA-N 420.535 1.085 30 10 HDEE COc1cccc(C[C@@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)n2nnnc2C)c1 1644587310 IOMVICHMJHQSQE-LEWJYISDSA-N 420.473 1.838 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C[C@@H](O)CC1(C#N)CCOCC1)C2 1645625875 KAJMJSWPOGUVTE-KRWDZBQOSA-N 407.536 1.366 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CC(NCC(F)(F)F)C2)s1 1646059809 BEHLVMDTTBDOQW-UHFFFAOYSA-N 411.471 1.554 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCO1 1647790536 OFDJAJFNKOANOE-SFHVURJKSA-N 424.505 1.534 30 10 HDEE C#CC1(O)CCN(CC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2C)CC1 1647863763 PUYNLODEMFMGMZ-UHFFFAOYSA-N 419.547 1.568 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCO[C@](C)(C#N)C1 1647990586 DFSATMGSJDCRON-SJLPKXTDSA-N 411.549 1.536 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cl)nc(N4CCCC4)c3)C2)c(=O)nc1O 1648790696 QZFUTYBBZSQOIR-UHFFFAOYSA-N 400.826 1.166 30 10 HDEE CC1(C)OB(C2CCN(C(=O)Cc3ccc(S(N)(=O)=O)cc3)CC2)OC1(C)C 1651185121 PJLXHFBCNYMVFY-UHFFFAOYSA-N 408.329 1.961 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c(=O)n1C 1652133720 DLEJUPLPJHITSA-UHFFFAOYSA-N 402.410 1.862 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(Cc3nnnn3-c3ccccc3)CC2)cc1 1652792080 RWCMKWKJKVVIRQ-UHFFFAOYSA-N 415.501 1.790 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4c(CC#N)cccc4C3)CC2)o1 1655230884 YYLHBNCUCUYNIB-UHFFFAOYSA-N 404.474 1.628 30 10 HDEE CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@@H]1C 1655873078 DGLBZXLHZIVZMU-TWHPPBISSA-N 406.571 1.977 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CCCn2c(=O)c(C#N)cn(CCO)c2=O)CC1 1656732227 IPALBFMWIHOSFO-UHFFFAOYSA-N 406.483 1.301 30 10 HDEE CCOC(=O)C1=C(CN2CC(O)(CC#N)C2)NC(=O)N[C@H]1c1ccc(Cl)cc1 1658381696 DIMFKZCCLHGPGA-INIZCTEOSA-N 404.854 1.471 30 10 HDEE CN(Cc1cnn(C)c1)C(=O)CN1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1659328585 BDIBCXGTSMZTFM-UHFFFAOYSA-N 418.505 1.462 30 10 HDEE C=CC[C@H](CO)CNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1663135626 HUAKQSOAXTVGIW-ROUUACIJSA-N 412.508 1.128 30 10 HDEE C=CCCS(=O)(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1663221487 RHYYTAUYZAWPCN-UHFFFAOYSA-N 416.544 1.183 30 10 HDEE CN(CCOCCNS(=O)(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C 1664539762 AYODXGLASTYUDF-UHFFFAOYSA-N 401.460 1.859 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1c(C)cc(C)c(NS(C)(=O)=O)c1C 1664763935 CSIMEVJEDXEAGP-HNNXBMFYSA-N 402.538 1.690 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@@H]2C(=O)NCC23CCOCC3)cc1 1667791143 WRUUGHSQGUPLDJ-GOSISDBHSA-N 412.490 1.918 30 10 HDEE CC(C)(C)c1csc(NC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)c1C#N 1671681123 DTNBNRKSZOKHFZ-UHFFFAOYSA-N 419.551 1.926 30 10 HDEE C=CCN(C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H](C)COC 1672014679 BNDMVNTZQIKPOQ-LBPRGKRZSA-N 407.895 1.990 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)Cc2ccccc21 1674321405 PWLKXSUCVFVVRP-FQEVSTJZSA-N 403.486 1.973 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1684480862 SFLGFKBGHATTMT-MRXNPFEDSA-N 419.551 1.498 30 10 HDEE C#CCC1(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4OC[C@@H]5COCC[C@@H]54)C[C@@H]3C2)CCC1 1685094987 VPFFAHLSRSCXGI-JAZQRGJZSA-N 400.519 1.538 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCN(C)S(=O)(=O)CC 1689956948 LGAFVTZJINECFT-UHFFFAOYSA-N 400.508 1.558 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1689994519 ZVLILPGDCXXJTF-SJLPKXTDSA-N 417.535 1.173 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1690086046 OSGPNRZPWGNTNQ-UHFFFAOYSA-N 408.437 1.998 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690169405 AEQULGXTWXUOGQ-MRXNPFEDSA-N 401.540 1.350 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690285545 CGXCRKPCAFBDLF-ROUUACIJSA-N 401.559 1.410 30 10 HDEE C=C(Cn1c(-c2cnccn2)nnc1N1CCO[C@H](CNC(C)=O)C1)c1ccccc1 1690322531 ICBVRPKFEJPNPG-LJQANCHMSA-N 419.489 1.790 30 10 HDEE C=CCCCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@]1(OCC)CCOC1 1690493413 HLVSVYNDAIXAAA-NRFANRHFSA-N 418.542 1.890 30 10 HDEE C=CCN(C)c1nnc(-c2cccnc2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1690521678 FQQBBTWLVHLCSW-UHFFFAOYSA-N 405.462 1.226 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC(C(=O)NCC(F)(F)F)CC1 1690659663 ZLPPGPZLDVBZSZ-UHFFFAOYSA-N 416.448 1.599 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1690669934 SRAZKTROQILIBV-HNNXBMFYSA-N 413.478 1.529 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N(C)[C@@H]1CCOC1 1690725295 LOBGTCCHEPXBRA-MRXNPFEDSA-N 408.499 1.834 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CCC)[C@@H]1CCS(=O)(=O)C1 1705562640 HBVIUQMPLDPOJR-OAHLLOKOSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1705563375 WGGUHOHSLRHVAS-OKZBNKHCSA-N 413.478 1.974 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nccc(C(F)F)n1 1705572742 MMHGNFMTSGFDOU-UHFFFAOYSA-N 422.399 1.774 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CC1(S(C)(=O)=O)CCC1 1705586330 FENPDIOTIMZMCJ-UHFFFAOYSA-N 402.545 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1ccsc1 1705627908 RWRDOJJJSSFFEQ-KXBFYZLASA-N 403.508 1.284 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(N(C)C)CCOCC1 1705629594 NPTZFUMGCNWTRL-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 1705639995 AWVSXPPMRBFMRP-KNQAVFIVSA-N 401.555 1.960 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2C1 1705652020 NSWDMLZLOXZIAZ-AWEZNQCLSA-N 405.549 1.775 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705830025 IDOQIRLSGMPVOW-PXNSSMCTSA-N 424.567 1.780 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC=CO1)C1CC1 1705854306 JYQHRQLADRFJCF-SJORKVTESA-N 423.539 1.459 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)SC 1705876036 NFZLMJIXZPFOFO-LSDHHAIUSA-N 415.585 1.541 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1705907543 PSYBGXYBTRWRCR-KRWDZBQOSA-N 410.522 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)N2CCOCC2)C1 1705925805 UTFHFSLUMNDADY-DLBZAZTESA-N 405.499 1.160 30 10 HDEE CC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1706060799 DDQIQRPFYOCNGW-WOJBJXKFSA-N 424.505 1.758 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(C)(=O)=O 1706315226 CZJVHRLYLLPDBJ-UHFFFAOYSA-N 402.524 1.644 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1711510009 AVZUWZNNCJKRHP-HOTGVXAUSA-N 419.493 1.752 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1712685549 KTZNPFBIROTPFV-INIZCTEOSA-N 407.540 1.879 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCO[C@@H]2CCOC2)CC1 1712882486 HWHCSAUPJCYUOB-DLBZAZTESA-N 423.539 1.116 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722304019 TYKSEDQACISQDO-LIRRHRJNSA-N 422.482 1.004 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC(C)(C)C1 1722333723 YSHIJBBHEJADKU-DLBZAZTESA-N 423.583 1.897 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(C)(=O)=O 1722373177 FNKKYAWVOJELIK-HNNXBMFYSA-N 404.467 1.675 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccnc2OCC)CC1 1722439257 VCUHGLSBGIBHKK-UHFFFAOYSA-N 417.517 1.861 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCSC2)CC1 1722448058 QSSVBPWWVAXKMA-OAQYLSRUSA-N 417.579 1.770 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@](C)(C(N)=O)C1 1722507767 GNMKOMFUKILHHC-JLMWRMLUSA-N 410.522 1.947 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCOCC1)C(C)C 1722665511 MWLONYKUCWCGFQ-MSOLQXFVSA-N 402.543 1.764 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCC[C@H](C)C1 1722690029 CZIILSPEPMNTRN-KKUMJFAQSA-N 412.560 1.205 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(C)C)C1 1722730554 WEHJSROBCBHZOP-INIZCTEOSA-N 409.556 1.484 30 10 HDEE CN(C)CCOCCn1c(-c2cn(C)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1729340364 JEVLOZBVCSONGZ-QGZVFWFLSA-N 423.521 1.744 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCCC2)CCO1 1729678011 AVQVSNWNOWVGLM-GOSISDBHSA-N 424.505 1.463 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1740550919 RYYUOGGHGLZDBI-PBHICJAKSA-N 404.492 1.683 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc([C@@H](C)O)cc1)[C@@H]1CCS(=O)(=O)C1 1740623184 PRSKWLJRPFWGON-DNVCBOLYSA-N 414.531 1.884 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1740651314 FXBYXXXJIGBJJK-QGZVFWFLSA-N 412.515 1.851 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(C)CN(C)C1=O 1740682015 ZWVAXVFGKPAMKW-NRFANRHFSA-N 411.462 1.238 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2cc(C)on2)CC1 1740693456 YPMPVAFTHIRECV-OAQYLSRUSA-N 414.510 1.419 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740696592 YLAGERGIPFPUBG-QGZVFWFLSA-N 423.583 1.141 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cnn(C)c1 1740751137 YELZLKKCXXSLFD-QZTJIDSGSA-N 413.526 1.865 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740845677 XZJKWKFSGNNJCU-HNNXBMFYSA-N 412.494 1.596 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1740889218 XKQVOOCPUVHVPR-UHFFFAOYSA-N 410.478 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C)C(=O)C1 1740956338 KGRRKBWPINSOMH-UHFFFAOYSA-N 418.885 1.188 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncnn1-c1ccccc1 1748685085 UXBRZGWYUHKOGG-MRXNPFEDSA-N 404.478 1.487 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@]2(C)COCCO2)CC1 1749005035 QZSBUVBDTNCBIY-KKSFZXQISA-N 403.527 1.563 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCS(=O)(=O)C1 1749168978 DSTVHYLEVUSGOJ-ULQDDVLXSA-N 412.556 1.839 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749444426 AJHRFFMWJQWHAA-UHFFFAOYSA-N 413.526 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](OC)C1 1749736455 JIWHNNCURKPFSE-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C[C@@H]1F 1750341645 FVZFQNGATWADRS-CJNGLKHVSA-N 406.487 1.550 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC 1760102365 IWGMIERBTGJPAI-AWEZNQCLSA-N 406.508 1.855 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(OC)CCOC1 1760212465 VQDCHZDOUYIPFI-RTWAWAEBSA-N 402.495 1.199 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1760225624 UQMFJMUKNFTOJX-HNNXBMFYSA-N 420.539 1.578 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1Cc1ncnn1-c1ccccc1 1760246372 PLCJYUMPQXEVFK-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1760260767 BDONTOBWSJEXME-FQEVSTJZSA-N 402.587 1.589 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)CN(C)C)CC1 1760270396 WKPAUEGQZJVONT-SFHVURJKSA-N 416.570 1.336 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760346267 QCZMMTQHWBJYOL-LPHOPBHVSA-N 409.556 1.057 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760452016 BDMNSNMVBMDNIZ-KRWDZBQOSA-N 424.505 1.988 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1760467253 FGHYMZRAFLIDKV-UHFFFAOYSA-N 406.494 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC1CC1 1760518683 ZDQALXQLRZRNDU-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760554902 QJEQJHGJWZTIPM-INIZCTEOSA-N 408.528 1.236 30 10 HDEE CC1=CCCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1762163113 SEIGVQPHGSGVMG-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCn1ccnn1 1763201074 GAIOIXSRCRXCKY-QGZVFWFLSA-N 405.466 1.213 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1764479235 FWPVWGKDWXOUMZ-OKZBNKHCSA-N 406.531 1.605 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1767236415 FMWWHQHXERVRLQ-UHFFFAOYSA-N 406.450 1.705 30 10 HDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1769202672 AJOLWSGAGZZJES-KXBFYZLASA-N 412.494 1.441 30 10 HDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1770165107 XXPCESFWAFLXJQ-AWEZNQCLSA-N 411.466 1.853 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)C1 1770727188 CWJGUAJFDJCLMC-KXBFYZLASA-N 402.405 1.889 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1nc(C)cc1C 1771222459 IJUSNJHGCQROKT-ROUUACIJSA-N 417.514 1.635 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H]21 1771365576 BPDKMBZVXZFYGO-DLBZAZTESA-N 400.508 1.745 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2C[C@@H]2CCCCO2)c1 1771531557 SQVIZJRHOSXMPZ-IBGZPJMESA-N 424.505 1.857 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2ccccc2F)nnc1N1CCOCC1 1771564943 ZSPQBGOVMNELJX-HTXNQAPBSA-N 412.425 1.447 30 10 HDEE COc1cc2nc(N(C)CC(=O)NCC#CCN3CCOCC3)sc2cc1OC 1850342349 WHTGTFOTZKKMIK-UHFFFAOYSA-N 418.519 1.202 30 10 HDEE N#Cc1cc(COC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)ccc1F 1852692227 WGSZWONMBHRCHQ-UHFFFAOYSA-N 423.388 1.849 30 10 HDEE CN1CCN(C(=O)c2ccccc2C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)CC1 1853361515 WVCXBENNYKKACF-KRWDZBQOSA-N 421.457 1.318 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2cccnc2Cl)C(=O)C1 1853947144 JDPXPXSGTAQXPA-UHFFFAOYSA-N 418.862 1.209 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@@H]1CCN(C2CC2)C1=O 1854254979 FUDMMWWHUJWANW-SCLBCKFNSA-N 414.893 1.842 30 10 HDEE COCC(=O)N1CCCC[C@@H](N2CCC(COc3cccc(C#N)n3)CC2)C1=O 1854487788 ORNURVCTGKACGF-GOSISDBHSA-N 400.479 1.598 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)c3ccncn3)C2=O)CC1 1854801800 AZZBTZVAXAODTO-SFHVURJKSA-N 405.462 1.087 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN(C)Cc3nc(C(C)C)no3)CCC2=O)CC1=O 1856652593 AODXGCWXNSCKMZ-JKSUJKDBSA-N 417.510 1.425 30 10 HDEE CC(C)Cn1cc(CN(C)[C@H]2CCN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)C2)cn1 1856895093 GBBXKZDYOAWSGG-HKUYNNGSSA-N 400.527 1.334 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@H]2CCC(F)(F)C2)C1=O 1857150826 QMAUYFPWKQRQDI-WFASDCNBSA-N 404.421 1.032 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN(CCn3ccnn3)C3(CCCC3)C2=O)cc1 1857497037 WTCFRUYEEFUHIC-UHFFFAOYSA-N 406.490 1.766 30 10 HDEE C=CCNC1=C(c2cccs2)C(=O)N(CCc2ccc(S(N)(=O)=O)cc2)C1=O 1863804352 SWQSMSPQASNBIH-UHFFFAOYSA-N 417.512 1.494 30 10 HDEE COc1ccc(Cn2nnc(C#N)c2NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1F 1870108839 AMVTULOJDZVDBN-ZDUSSCGKSA-N 400.414 1.541 30 10 HDEE CCOc1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870141705 GUGRPGNBHNQATD-UHFFFAOYSA-N 416.397 1.772 30 10 HDEE C=CCn1cc(OCc2n[nH]c(=N)s2)c(=O)cc1CN1CCC(N(C)C)CC1 1870575887 DMTGZIAMPSPUGO-UHFFFAOYSA-N 404.540 1.403 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](COc2cc(C(N)=O)ccn2)C1 1891509810 PQHFEVYYEPVLML-AWEZNQCLSA-N 400.460 1.532 30 10 HDEE N#CC1CCN(S(=O)(=O)N2C[C@H]3C[C@H]2[C@H]3NC(=O)OCc2ccccc2)CC1 2054406477 WEHMFRRMBWNCSJ-SQNIBIBYSA-N 404.492 1.466 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](C#N)C2)C[C@@H](C)N1C(=O)OCc1ccccc1 2054406801 YWTNJFQCHFVKQI-NUJGCVRESA-N 406.508 1.808 30 10 HDEE Cn1cc(Br)c([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2074370672 JJEITERUTJSCMR-AAEUAGOBSA-N 413.320 1.627 30 10 HDEE N#Cc1cncc(CS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2074668240 BLMBHYFESJMYOF-MRXNPFEDSA-N 403.416 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CC(NS(=O)(=O)CC2(C#N)CCCCC2)(C(=O)O)C1 2174785768 CFCBSJUSNNHELY-UHFFFAOYSA-N 401.485 1.454 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@@H]1C(F)F 2174789114 MQTSIFCDLILRIP-FRRDWIJNSA-N 408.471 1.557 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@@](C)(CC(=O)O)C(F)F)C(F)(F)F 2180573161 BQSHWQMWRKIJNW-ZJUUUORDSA-N 402.238 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 2183268800 AJHZXYQOMRLORV-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE CN(Cc1ccccc1)S(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2241562099 IBDDYZCREAKMAI-UHFFFAOYSA-N 410.330 1.048 30 10 HDEE COC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2244547150 WDIBRYKZLONCRE-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247838592 KIRFVYFSKRYJJW-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE C[C@@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247914651 OHPYKEXAWKCMEJ-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE Cc1nn(C)c(C(=O)NOCCNC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915494 CYAIGVUBYJKEEO-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)CCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281949420 JKFVKKVDXSURRT-NSHDSACASA-N 401.359 1.909 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2281998969 AOIQALWPZHILGD-QDXKXIGTSA-N 400.375 1.965 30 10 HDEE C[C@H]1CCS[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282329408 LSRUVZZITKJRGN-RYUDHWBXSA-N 401.363 1.139 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CN 2282339214 WZUZYYCRZFLHAS-AAEUAGOBSA-N 400.375 1.699 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@](C)(=O)N2CCCC2)OC1(C)C 2282340868 KSPOCUUUUWBTKI-VWLOTQADSA-N 420.387 1.845 30 10 HDEE COC[C@@](C)(CCO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282346360 NJSSXASTFDXGAK-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE CCSCC[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282416884 CCNFPPREYILWNG-GFCCVEGCSA-N 403.379 1.529 30 10 HDEE CCSCC[C@@H](C)NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282425800 ULAFIGCLTZTKIY-GFCCVEGCSA-N 403.379 1.529 30 10 HDEE COC[C@@](C)(CO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282842303 WBCGJHXIYTXMMB-MRXNPFEDSA-N 405.347 1.031 30 10 HDEE CO[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282844476 DKMSNTVBKHCDGL-CQSZACIVSA-N 401.359 1.892 30 10 HDEE CCN1CC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869583 FDZDKVLJCBDUNZ-CQSZACIVSA-N 400.375 1.561 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCNC1 2282890411 ZZZVTQPAXJJUGG-QWHCGFSZSA-N 400.375 1.465 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284401165 FHAMOVSPIKXOND-QWRGUYRKSA-N 401.315 1.497 30 10 HDEE CC(C)(F)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284407927 QNDPKCYYKZIHJN-NSHDSACASA-N 407.294 1.527 30 10 HDEE COC[C@@]1(C)C[C@H]1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284685531 SBUAHVNPEUPGNZ-YVEFUNNKSA-N 401.359 1.998 30 10 HDEE COC(=O)c1cccc2c1c(C=Nn1c(S)nnc(CCC(=O)O)c1=O)cn2C 2321663867 FIZBXVJHKNIACC-UHFFFAOYSA-N 415.431 1.105 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]([C@H](O)C#CC(C)(C)S(C)(=O)=O)O[C@@H]2C1 2365175593 IPXCKNSUSUOEMV-ZJIFWQFVSA-N 401.525 1.588 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@](O)(C#CC(C)(C)S(C)(=O)=O)CO2 2365189315 TWPGZFXLKIWFFQ-SFHVURJKSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 2367790029 FTIBNROSPBPHKO-OWCLPIDISA-N 400.541 1.617 30 10 HDEE CC(C)(C)OC(=O)NC1(C[C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367803090 HWNWRBAMETYMTE-OAHLLOKOSA-N 401.525 1.782 30 10 HDEE CC[C@](O)([C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367808176 AMUOMUXELOWWBU-CLCXKQKWSA-N 402.557 1.599 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367808336 BWHKAMDPXLSNMH-YZVOILCLSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2367814472 BEEQKPWHTFMBTR-RVKKMQEKSA-N 402.557 1.455 30 10 HDEE CC[C@@H](C(=O)Nc1c(C#N)cnn1C)S(=O)(=O)CC(=O)Nc1ccc(F)cc1 16893824 NTEINEDNDRKLRN-AWEZNQCLSA-N 407.427 1.201 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](S)C[C@@H]1CN(C(=O)OC(C)(C)C)S(N)(=O)=O 39011153 JQXFEQZHDMPMJE-MNOVXSKESA-N 411.546 1.735 30 10 HDEE O=C1CS/C(=N/N=C2\NC(=O)[C@H](CC(=O)c3ccc4c(c3)CCCC4)S2)N1 39886361 YSAUVUZJQZSASG-AWEZNQCLSA-N 402.501 1.860 30 10 HDEE C#CCN(CC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 111191910 KUGRXTLUWHTJPM-FUHIMQAGSA-N 419.547 1.361 30 10 HDEE CN(C)c1ncccc1N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 430460041 LMVMZQBMDOTZJY-MRXNPFEDSA-N 406.446 1.887 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(-c2ccc(F)cc2)c1=O 440387597 VKPQBSWKLKAXPJ-UHFFFAOYSA-N 411.458 1.967 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccc(C#N)c(Cl)c1 441216926 GIWLTJKYMJMDLQ-MUIFIZLQSA-N 405.838 1.575 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 463530624 CRWYNQVTXVGFGX-FPAYPSAMSA-N 413.430 1.662 30 10 HDEE COC(=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1F 464864762 SMDJRXZTARQXJO-UHFFFAOYSA-N 417.462 1.990 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NS(=O)(=O)Cc1ccc(C#N)cc1F 481016688 AXSJEWQZWHDYFC-INIZCTEOSA-N 417.510 1.722 30 10 HDEE CC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)c1c(C)nn(C)c1C 482396324 LUSCISRLXBPSGK-DYVFJYSZSA-N 403.508 1.843 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 503628349 YJCVCXRYTBDRDZ-KRWDZBQOSA-N 400.454 1.191 30 10 HDEE Cc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)CC#N)CC1 503640869 DENDMSBLRMKZNM-UWJYYQICSA-N 407.474 1.843 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)[C@H](C)Oc2ccccc2C#N)CC1 505965550 JGLBPUJJTXAOSK-IRXDYDNUSA-N 402.495 1.011 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 551424105 AEMHYGQMLJBBOP-ROUUACIJSA-N 417.579 1.838 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(OC(C)C)CC1 558676292 QGUFPQQCPGBHSS-INIZCTEOSA-N 413.544 1.191 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)OCCOC)cc21 586315604 WHJHUFNKTOGBDC-CFJPQMKISA-N 409.460 1.108 30 10 HDEE Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586861110 WNWUVMSNBZLPBP-IBGZPJMESA-N 408.433 1.539 30 10 HDEE CCCNC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609200083 HYJREWPIVGATCJ-UHFFFAOYSA-N 406.508 1.088 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)NC2CCN(CC#N)CC2)C1 610403228 YZZRIRYYTNTXIM-CQSZACIVSA-N 403.449 1.807 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCc3nc(-c4ccccc4)ncc3C2)C1=O 623224398 SPVCWOOVULHWNO-MRXNPFEDSA-N 419.441 1.094 30 10 HDEE CC(=O)Nc1cccc(C(=O)NCC#CCNC(=O)c2cccc(NC(C)=O)c2)c1 681340884 RAHUAVYABJRJLN-UHFFFAOYSA-N 406.442 1.767 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1CCc1cccs1 727815138 YJZPMRSCYSBNCZ-UHFFFAOYSA-N 411.508 1.589 30 10 HDEE Cc1nc2c(c(C)nn2C)c(C)c1CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732155837 HAAWFAYJXJQQLB-VZCXRCSSSA-N 410.478 1.469 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)c1 732174070 SRFFCOJIXNYNLM-KRWDZBQOSA-N 403.504 1.073 30 10 HDEE Cn1ccnc(N2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@@H]3C#N)CC2)c1=O 745990005 AOAJLWOQSMYYJR-MRXNPFEDSA-N 415.457 1.140 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)Cc3ccc(Cl)nc3)cc2C1=O 746459337 AUYWJAUPJDBGEE-UHFFFAOYSA-N 419.846 1.777 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 748415699 IDQAXOPQLLMPNW-UHFFFAOYSA-N 401.444 1.913 30 10 HDEE CC(=O)[C@H]1CC(C(=O)N2CCN(c3ncccc3C#N)CC2)=NN1c1ccccc1 751304749 RJRAPQMXTZNYCI-HXUWFJFHSA-N 402.458 1.826 30 10 HDEE CCn1c(=O)c(C(=O)COC(=O)C2(C#N)CC(C)C2)c(N)n(Cc2ccccc2)c1=O 767426587 BSAXXDFKBJVXNT-UHFFFAOYSA-N 424.457 1.326 30 10 HDEE COc1ccc2c(c1)[C@]1(CC2)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2)C1=O 771158118 IKPMNNPZRLGOMY-QFIPXVFZSA-N 404.426 1.577 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152561 HEPSBVPNPAMRSP-DLBZAZTESA-N 404.467 1.481 30 10 HDEE C#CCN(C(=O)NCc1cccnc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 774166529 PSQBWAYOCWKMHN-ZDUSSCGKSA-N 405.398 1.355 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1noc(C)n1 777789626 WUXGVRADULFZEN-AWEZNQCLSA-N 405.480 1.634 30 10 HDEE CC1(C#N)CCN(CN2C(=O)N[C@](C)(c3cccc(N4CCOC4=O)c3)C2=O)CC1 779878440 AEAGOKXGQRTDSD-OAQYLSRUSA-N 411.462 1.993 30 10 HDEE CO[C@@H](CCNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 787463756 LKCYSHIAFGWPOW-ZDUSSCGKSA-N 407.414 1.589 30 10 HDEE CNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(Cc2cccnc2F)C1=O 794442926 WVUFASYZFRKJJQ-ZLVLUESYSA-N 401.467 1.795 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)[C@@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 797292646 SVPROTQWYYITRQ-SJCJKPOMSA-N 404.485 1.340 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N)[C@H]1CCS(=O)(=O)C1 914595293 YBQLDVUAGWURNX-WBVHZDCISA-N 422.503 1.540 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCN(c2cnccn2)CC1 925925691 FGUOXQIXSCVWGW-UHFFFAOYSA-N 420.429 1.546 30 10 HDEE N#C[C@@]12CN(C(=O)c3cccc(-n4nccc4C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1134052617 JYHDXLSTRCZGQA-GUYCJALGSA-N 424.404 1.901 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCNC(=O)CC34CCC4)C2=O)cc1 1154259937 QFSLTPISVPGXCR-INIZCTEOSA-N 409.446 1.034 30 10 HDEE CN(C)[C@@H](CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1154429918 VUXROPNUKQGKQC-ZDUSSCGKSA-N 406.430 1.114 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(F)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1158397307 DQFWSSMLPOOUBE-UHFFFAOYSA-N 404.419 1.455 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cc(C4CC4)nc(SC)c3C#N)C[C@@H]12 1167104697 GOKUOEMMJHOJTK-IMJJTQAJSA-N 407.517 1.437 30 10 HDEE C#C[C@H](NC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1167413236 AQLWNKZQQVKCCY-GEPASTNRSA-N 411.502 1.445 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C1CCOCC1 1167414369 ZZAZOBZXSPYWNV-AWEZNQCLSA-N 404.410 1.528 30 10 HDEE C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)N1CC(Nc3cccc(C#N)c3)C1)C2=O 1168642888 QNYZRGZWBFQKJN-HUUCEWRRSA-N 409.490 1.928 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1196383974 MLMLETJLYRQAJX-UHFFFAOYSA-N 416.478 1.392 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](O)C[C@H](C(=O)OC)C2)cc1 1199059404 SLBOEFUXRRNVKR-WMZOPIPTSA-N 401.463 1.889 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@H]3CCCS3(=O)=O)C2=O)cc1 1226112848 SJMQRQBNPBUKQZ-IAGOWNOFSA-N 404.492 1.320 30 10 HDEE N#CC1(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CCCCC1 1231133434 RUYCDWVPBCACPS-UHFFFAOYSA-N 413.526 1.619 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC(c3ccc(C#N)cc3)CC2)n1 1251268075 ZEUSPSXJZSGCJK-UHFFFAOYSA-N 402.480 1.310 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 1264119615 KXLPLORHEXPRED-GDBMZVCRSA-N 404.492 1.406 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1286269171 CSXXAXSXPHOSOF-HOCLYGCPSA-N 409.556 1.622 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286366861 FTYFUEVPSYJNEF-INIZCTEOSA-N 424.530 1.844 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286670126 AURIKAYQWPJQFL-YWZLYKJASA-N 421.567 1.847 30 10 HDEE C=CCN(C)c1nnc([C@@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286715070 VUAHINADMKWFNZ-PXNSSMCTSA-N 404.536 1.992 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1286913669 SHDJFDBSXVOIBC-QGZVFWFLSA-N 422.493 1.758 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Cl)cc2)cc1 1292881691 TXJZJLNPWOYKEL-YVEFUNNKSA-N 407.879 1.994 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(O)CCCN(Cc3ccccc3)C2)n1 1297349449 CAFDYJWCDAUBGA-QHCPKHFHSA-N 410.518 1.518 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCCS1(=O)=O 1300321544 MJZVFVARIRLCDI-NVXWUHKLSA-N 404.540 1.565 30 10 HDEE C#CCCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1300349336 YDJOROFEJPNKPC-KRWDZBQOSA-N 424.505 1.980 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1300466962 BVSYUMIVXVGHOY-KRWDZBQOSA-N 406.465 1.817 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1C1CC1)[C@@H]1CCS(=O)(=O)C1 1300483967 PSUXFUZNFBKFNI-MRXNPFEDSA-N 401.448 1.815 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H](c1ccco1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300485412 WABISHWQNQIVHU-DLBZAZTESA-N 419.551 1.924 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCc1n[nH]c(C)n1 1300530093 YJKTVQARLIPJNC-UHFFFAOYSA-N 411.473 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)NC)c1 1300574873 NVTXUFCYRSFFJT-UHFFFAOYSA-N 415.501 1.744 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1300731848 IFTBADOKEDQSOH-HOCLYGCPSA-N 418.567 1.278 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300766765 JUAPNESMORTKPQ-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C 1301588803 JNPGKDGWFQCVLL-YESZJQIVSA-N 411.572 1.302 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1303003081 CAKBIKHWBBXSOR-INIZCTEOSA-N 407.409 1.847 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CCO1 1315011547 BVCIAGMIYCEIFG-ZTFGCOKTSA-N 412.469 1.906 30 10 HDEE CO[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1315211906 UJOALFLJHURCMW-CJNGLKHVSA-N 402.455 1.406 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCOCC(F)F)c1 1316529214 NHQNULCORXHTSZ-OAHLLOKOSA-N 404.421 1.800 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc(CC(=O)N4CCCC4)no3)C2=O)cc1 1321227126 VXYIUILEEZYCDM-OAHLLOKOSA-N 408.418 1.164 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1357693596 FQQXLZYUFULZPC-MRXNPFEDSA-N 424.519 1.355 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1358890006 JYCNJRRWAXDVPI-SJLPKXTDSA-N 415.563 1.947 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(CC(C)C)CCO1 1359022447 AEQIDHBSQWDWNP-LJQANCHMSA-N 415.542 1.121 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCn2cc(Cl)cn2)CC1 1359037297 DTCJJFNJPLHCQY-UHFFFAOYSA-N 410.913 1.569 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359306720 OOYPDKKZRMHYLI-RBUKOAKNSA-N 411.506 1.880 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccsc3n2)C1 1359311640 FLWYMTTYRJPXSR-HNNXBMFYSA-N 415.523 1.955 30 10 HDEE C[C@]1(CC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CCS(=O)(=O)N1 1360377803 WWKBTYUDYSPCFA-LJQANCHMSA-N 404.492 1.207 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC(F)(F)CO2)C1 1360788076 KQJQTLBYKQFXIA-RDTXWAMCSA-N 408.453 1.955 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccc(Br)cn2)cc1 1454888724 DSLXAHAQTUANBJ-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE C=CCN(C(=O)CN1CCCCS1(=O)=O)[C@H](Cc1ccccc1)C(=O)OCC 1458996621 JOIYUFKMZSQNPD-GOSISDBHSA-N 408.520 1.601 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@@H]3Cc4c(Br)cccc4[C@H]32)CC1 1467813596 BLOAYAJCJIHXAK-ATZDWAIDSA-N 416.319 1.228 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCC[C@@H]1COC(=O)N1CCCCC1 1467886124 NBTRHCMNPORKSH-ZBBYCGENSA-N 418.494 1.907 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1 1471834726 JDUGMGVWVUYLSB-DLBZAZTESA-N 416.526 1.678 30 10 HDEE N#C[C@@H]1CCCN(CC(=O)N2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)C1 1473780787 BVDODFBQPZZUSN-KRWDZBQOSA-N 416.547 1.986 30 10 HDEE COc1ncc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C#N 1477077089 AJJWVHVSTHLMQS-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(Cn2cccn2)c1 1507597275 XLZRVOAKKLSZGG-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)C1CCCC1 1507637115 OBBVGMHLBDKLRN-UHFFFAOYSA-N 405.506 1.873 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cnnn1 1507681004 NNNUSTOIZHJSDA-UHFFFAOYSA-N 404.276 1.572 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1507731603 NBIXMRQLHZMOTL-WOJBJXKFSA-N 414.554 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC[C@H]2COCCO2)CC1 1507742329 HCYFSNLVPODEOZ-SFHVURJKSA-N 403.527 1.248 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCSC2(CCOCC2)C1 1507754157 LSWLJNKTEKKHSA-OAHLLOKOSA-N 421.592 1.698 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nncn1CC 1507762156 WBJNMPVEWDZJQX-RTWAWAEBSA-N 413.526 1.971 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507935097 KRRXTEUNYWIKRM-HUUCEWRRSA-N 401.471 1.855 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C(C)C)C1 1508079369 SJIWSGBFJIQODZ-GOSISDBHSA-N 413.478 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](COC)C1 1508079512 YAZOAVDIMBALNZ-HNNXBMFYSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(OC)cc1 1508085223 GIEAJJWNNNKPIV-YOEHRIQHSA-N 412.494 1.737 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)CC[C@@H]1C 1508131671 OSJHKIBCMJPWMK-CVEARBPZSA-N 409.556 1.740 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCn1cc([C@@H]2CCOC2)cn1 1509952240 IQBHNBJOPWPUMF-HZPDHXFCSA-N 409.498 1.818 30 10 HDEE C[C@](O)(Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510231854 ALLABKYJBQZWJT-UGKGYDQZSA-N 404.474 1.900 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1512201513 GMHIIDRPNSQYHU-UDJKBAMHSA-N 424.509 1.831 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1517238874 CPMKJQUTYSWWIK-KRWDZBQOSA-N 410.478 1.148 30 10 HDEE C[C@@H](C(=O)N(CCC#N)CC(F)(F)F)N1CCN(C(=O)OC(C)(C)C)CC1=O 1531489136 FWMCCDIUWFZJBZ-LBPRGKRZSA-N 406.405 1.759 30 10 HDEE COC(=O)[C@@H](NC(=O)COc1ccc(C#N)c(Br)c1)c1ccnn1C 1537403855 AJFGZLGATJZMMP-HNNXBMFYSA-N 407.224 1.464 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1539011683 CSAWBSOEVZADTE-NNPSNHGLSA-N 421.567 1.505 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSc2ccccc21 1539148422 KLEVHYHWJASSMM-UONOGXRCSA-N 405.549 1.847 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CSCCS1 1539238580 ZWXWNMKVTNFODT-QFBILLFUSA-N 406.577 1.852 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H]1CCC(=O)N1 1539403589 TYTAHODGGKXQOV-OAHLLOKOSA-N 417.897 1.972 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1539498308 RWSYDACJBMDASD-KBPBESRZSA-N 415.585 1.116 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539721812 HYQCVHPBGGVIQG-SJORKVTESA-N 416.526 1.354 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1540171208 WTZZCTAERHNRLV-GOSISDBHSA-N 402.520 1.899 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 1540857467 ZMSHYLBUDHAVCY-QLFBSQMISA-N 402.499 1.718 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(C)(=O)=O 1541106108 RARCLAOZFJILEY-MRXNPFEDSA-N 416.551 1.893 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]2C(N)=O)cc1 1542161905 VTBJDSIASUVPPP-ORIIVFLWSA-N 406.508 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2CCC[C@H](C(N)=O)C2)CC1 1542638026 SNENFQFDXFCFAA-SFHVURJKSA-N 420.554 1.341 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3cc(C#N)c4ccccc4n3)CC2=O)cn1 1544218378 AEMPFENSMUBAPB-OAHLLOKOSA-N 404.430 1.941 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C)c1 1544812232 OUYSBLDVFORUGQ-PBHICJAKSA-N 403.479 1.587 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(C(=O)OC)nc2)ccc1F 1545170352 YOVZDMPEULQHIY-UHFFFAOYSA-N 407.423 1.402 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCN(C)C1 1545760662 GZAOOCJIALMCHH-WOIUINJBSA-N 410.522 1.615 30 10 HDEE CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1547094787 IDBYQMCMCOSOLI-LJQANCHMSA-N 419.507 1.125 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1554599497 YOURTUVYFZMZRD-INIZCTEOSA-N 404.478 1.968 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)cc1 1557328817 RDRVUWMBINDSMP-RYRKJORJSA-N 422.503 1.075 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)Cn1c(=O)c(C#N)c(C)n(C3CC3)c1=O)CC2 1559452884 DJJNUDMVTMRHBU-UHFFFAOYSA-N 424.457 1.127 30 10 HDEE CN(CCc1ccccn1)S(=O)(=O)CCN/C=C1\C(=O)Oc2ccccc2C1=O 1565524685 RXDHYDVQEHXWHK-VKAVYKQESA-N 415.471 1.161 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cccc(C#N)c2Br)CC1 1569602512 GZDLGEBQXBLKAJ-UHFFFAOYSA-N 420.310 1.204 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC(=O)OC)CC2)s1 1570406506 JZMMCCMPKMMXSG-UHFFFAOYSA-N 400.522 1.557 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)[C@@H](O)C2CCCCC2)s1 1586431074 IDLWYAIWUJVELC-YJBOKZPZSA-N 416.565 1.173 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1587856807 RYUNALOFWHNAGZ-RBUKOAKNSA-N 414.554 1.328 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N2CCCC2)nc1 1587909484 LWEHAARFIGGXGF-OAHLLOKOSA-N 417.539 1.001 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCS(=O)(=O)C1 1588117459 INPGUNMAOMWLGR-MRXNPFEDSA-N 400.479 1.982 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC[C@@H]1CCCCO1 1588139521 OIIBSMLLNLDKLU-ROUUACIJSA-N 404.536 1.602 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ncnn1-c1ccccc1 1588574237 AYWRYKHEKCVENS-UHFFFAOYSA-N 422.493 1.131 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1588984236 GRZBGCAETQNGKU-CQSZACIVSA-N 410.569 1.385 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(NC(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1595602051 DOPYOUNGVFBXJC-OAQYLSRUSA-N 420.558 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C)[C@H]1C 1595789177 ONQZSKXMRHOCCM-ZIAGYGMSSA-N 410.569 1.610 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)on1 1612644849 CRMOHEMQMHQBHI-MRXNPFEDSA-N 412.475 1.785 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCCCO 1614079747 HJXLGUVIUORJLK-SFHVURJKSA-N 412.494 1.606 30 10 HDEE CS(=O)(=O)NCCn1c(C2CC2)nnc1N1CC=C(c2ccc(C#N)cc2)CC1 1620176616 HNSOUTVMPYFLJU-UHFFFAOYSA-N 412.519 1.870 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1622024362 MRSGLXBAGJHGMT-HNNXBMFYSA-N 420.311 1.677 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1624048804 DGKTXADLBOBUCK-MRXNPFEDSA-N 409.508 1.299 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cc3n(n2)CCC[C@@H]3O)c1 1624892870 QYVPEJMVUYLZPZ-VPMFXMNOSA-N 417.491 1.775 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 1625421169 XYMCLJFSEXBPCN-OAHLLOKOSA-N 401.467 1.263 30 10 HDEE CC(C)(C)OC(=O)C1=NO[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 1626466263 BDPCBEQLDVYQHQ-KRWDZBQOSA-N 402.426 1.833 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 1627265787 RXYOBFODBFPUQF-HFUDNHEJSA-N 406.483 1.879 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(OC(=O)NC(C)C)C2)s1 1628990942 ZBTLZHXJBBFQND-UHFFFAOYSA-N 401.510 1.100 30 10 HDEE N#Cc1ccc(C2(NC(=O)N[C@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CCC2)cc1 1633615245 RPDRXYVSZWJPJD-HKUYNNGSSA-N 403.504 1.973 30 10 HDEE C#CCN1CCC(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 1635166183 IAIYOYNWMBZQBU-LDADJPATSA-N 415.559 1.913 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCOC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1635650570 JWFGCEXFNQIPES-MAUKXSAKSA-N 419.503 1.926 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]21 1636471806 CXXYROHTAWVVEC-JGGQBBKZSA-N 402.499 1.758 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(c2cc(C#N)sc2[N+](=O)[O-])CC1 1642202810 RSXJGTVKEYIOPV-UHFFFAOYSA-N 407.477 1.763 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@](COC)(C(=O)OCC)C2)c1 1642838431 SNVNVIFOEWIRMS-NRFANRHFSA-N 401.463 1.608 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1643151292 ZCKHAUDHKCXAIF-UXHICEINSA-N 421.563 1.460 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@@H](O)CC4(CCOCC4)C3)CC2=O)cc1Cl 1643362878 CVCROGLKWUSFRW-WBVHZDCISA-N 417.893 1.955 30 10 HDEE CNC(=O)NC[C@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CCO1 1643861976 YOHRRPDKKVDPTM-KGLIPLIRSA-N 419.551 1.703 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)C2)C1 1644214742 FGRBYCPJUQKIIW-LJQANCHMSA-N 423.391 1.567 30 10 HDEE N#C[C@@]12CN(CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1644637454 YYYUNCFQJUYQNA-TYPHKJRUSA-N 401.532 1.904 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1659903921 ONRIPFRXTJIVOR-LSDHHAIUSA-N 405.524 1.507 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cccc(I)c2)nn1 1664571282 XWHGTTJJQVDMKV-UHFFFAOYSA-N 404.233 1.547 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 1667730934 ADBDAOAKIJPJCL-UHFFFAOYSA-N 423.514 1.027 30 10 HDEE C#CCOc1ccc(NC(=O)NCC(=O)NCC(=O)N(C)Cc2ccccc2)cc1 1669084496 MPLXFHGNYFPWEP-UHFFFAOYSA-N 408.458 1.595 30 10 HDEE C#CCN1CCC(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)CC1 1675723371 DSJUNBOHPDEGRE-OAQYLSRUSA-N 400.523 1.465 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1CC 1678995228 LNNTVWVFXDIAAX-INIZCTEOSA-N 411.524 1.719 30 10 HDEE C#CC[C@H](COC)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1679137668 WLTGBHZSYKSGRV-GFCCVEGCSA-N 408.398 1.696 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(O)CCC(F)(F)CC2)C1 1681435753 ZJXUTLXPMBNRMQ-OLZOCXBDSA-N 402.442 1.985 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682095136 FDKKCCBZZVLCHQ-PKOBYXMFSA-N 405.470 1.181 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NCc3ccc(CN4C(=O)CNC4=O)cc3)C2)cc1 1683544331 FVYVDIMCAGEXNF-UHFFFAOYSA-N 419.441 1.583 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(OC)c(C#N)c2)CCO1 1687438114 UULUIJBDHBCIKX-NRFANRHFSA-N 419.478 1.836 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nnc(C)s1 1689951030 JZJLZPZIZCDFCT-UHFFFAOYSA-N 402.505 1.626 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1690019988 WDPBWDBDVQGYMC-DNVCBOLYSA-N 418.544 1.222 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)c2ncc(C)s2)CC1 1690109309 NFRRUUSKNUQKPG-HNNXBMFYSA-N 415.567 1.740 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCOCC(F)F)CC1 1690129410 WJAXRBAJAKZBSF-UHFFFAOYSA-N 410.494 1.671 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C)C1 1690228717 DDHNZROPIQPZMJ-RWMBFGLXSA-N 419.345 1.702 30 10 HDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1690531530 PQZRWTJRXQURCO-UHFFFAOYSA-N 413.522 1.976 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC1 1690532939 YJLFMNDKTFOVEW-UHFFFAOYSA-N 416.551 1.757 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690667349 ZYLJQGQMHTUWCE-HZPDHXFCSA-N 419.551 1.814 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(F)F)CC1 1690725335 MVKNAFVRMCKBHQ-UHFFFAOYSA-N 405.515 1.465 30 10 HDEE CC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)CCO1 1694966613 CMLXOIJTIYUVJX-GOSISDBHSA-N 424.505 1.870 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCOC2)cc1 1698488019 ASNCONOIMJWSNX-PKOBYXMFSA-N 408.462 1.884 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1705524980 WBYRFYYCFXAGBD-IAGOWNOFSA-N 419.555 1.648 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC1(O)CCC1 1705581098 SXDUXZKQYIYBHA-UHFFFAOYSA-N 402.458 1.972 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1705628386 FIXMEJOYBCJCCP-LJQANCHMSA-N 418.586 1.284 30 10 HDEE C#CCSCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 1705661984 MPRTVUANFNHXBJ-QGZVFWFLSA-N 418.544 1.726 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N(C)C[C@@H](C)C(=O)NC 1705662492 ACRFSBXMVDXVNY-CYBMUJFWSA-N 406.581 1.819 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NC(C)C)CC1 1705765571 SCEIWRXQLXQOKF-UHFFFAOYSA-N 407.482 1.602 30 10 HDEE C=CC1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)NC)CC1 1705784135 IYXBXNZCVBSQKI-UHFFFAOYSA-N 419.551 1.851 30 10 HDEE C=CCCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705823709 SRMQXMUQLUQRLJ-FVJLSDCUSA-N 403.527 2.000 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CC2CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705863060 GUYVXTCOYNLIIU-NRFANRHFSA-N 416.547 1.973 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC[C@H]1C 1705898631 RWOPEQULCZXFRG-OAHLLOKOSA-N 415.494 1.880 30 10 HDEE CCS(=O)(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1710888367 OODLWJZQTOSWLP-UHFFFAOYSA-N 420.539 1.997 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCCCCO)cc1 1712881171 XJQOTUWZRYPEIM-SFHVURJKSA-N 424.505 1.702 30 10 HDEE C#CCCCn1c(N2CCC(NC(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722339834 YQMMQQZXOHNCGG-NRFANRHFSA-N 403.527 1.837 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H](OCC)C(C)C)CC1 1722429181 IFSNYLVRPIAJIF-IBGZPJMESA-N 416.570 1.721 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1722593217 KEWXQTUMZCTKCW-KKSFZXQISA-N 418.542 1.746 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)C[C@H]1CCOC1 1722693206 GMQZUWWIKMTQLU-CQSZACIVSA-N 400.439 1.628 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1722693877 CTKSFCDTCGMJDU-LPHOPBHVSA-N 405.506 1.792 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NCC 1740533213 ACQGYDKCVAKRQD-HRAATJIYSA-N 405.543 1.939 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740639385 SRRHFNBFYYEENZ-GJZGRUSLSA-N 408.428 1.186 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1COc2ccccc2O1 1740653093 ZNZGGVAUCOUEMK-GOSISDBHSA-N 402.458 1.982 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740665715 NPMAKQXABDNNLX-AWEZNQCLSA-N 422.942 1.735 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N(C)C(=O)OC(C)(C)C 1740668078 BUEYQBQVOWHQNT-GJZGRUSLSA-N 404.515 1.944 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)COC)CC1 1740714613 FEVJUHPPXSOYPJ-UHFFFAOYSA-N 417.510 1.746 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](C(=O)NC)C1 1740887880 FUOXFJCUYCHBQP-SFHVURJKSA-N 415.542 1.695 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCOCC1 1740932211 JGSLTMBPJAYZKD-QZTJIDSGSA-N 423.583 1.327 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1740993203 ZJNILQUDYSVCOX-GOSISDBHSA-N 411.528 1.108 30 10 HDEE CC(C)(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1741207450 BJSGOIXTTUZLEX-CALCHBBNSA-N 410.478 1.683 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1742905957 FEDDPBHSFFUDJQ-HNNXBMFYSA-N 421.505 1.542 30 10 HDEE CCN(C)C(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1745891099 LSFQUGYDVKWECK-ZDUSSCGKSA-N 404.421 1.354 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1747356428 RDDUBEPKTYZTFU-GOSISDBHSA-N 409.494 1.894 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC[C@H]1COCCO1 1748935190 OYTKAEDQVYEIER-HNNXBMFYSA-N 403.508 1.535 30 10 HDEE C#CCSCCn1c(N2CC[C@@]3(CCOC3)C2)nnc1[C@]1(OCC)CCOC1 1749049095 XIFIDKHCUKOAEE-UXHICEINSA-N 406.552 1.913 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccnc(C)n2)CC1 1749222573 JSIFUCZFTNZJNF-UHFFFAOYSA-N 423.525 1.696 30 10 HDEE C=CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1749403638 FWTSUHIXVOVNSR-SFHVURJKSA-N 423.521 1.824 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nnn(C)n1 1749574353 SEAAIMLFWYVSHG-UHFFFAOYSA-N 404.438 1.344 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749630579 ZLSGTCCUTPBZHN-ZDUSSCGKSA-N 411.478 1.851 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 1749653139 WRYLFCSIKNHBKC-AWEZNQCLSA-N 417.901 1.792 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(OC)CCCC1 1750154200 IZOFITZGAUNDCK-BBWFWOEESA-N 405.499 1.690 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1oc(CC)nc1C)[C@@H]1CCS(=O)(=O)C1 1760192486 JJVDJSRWBNENHR-OAHLLOKOSA-N 421.523 1.348 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCC1 1760206809 NIJSAHHGIOIQRC-UHFFFAOYSA-N 414.535 1.180 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOc2ccccc2)CC1 1760260580 YGONINGRNXXSBR-IBGZPJMESA-N 408.506 1.454 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCn1cnnn1 1760298503 KNYLJZMSYPBZLE-OAQYLSRUSA-N 417.477 1.798 30 10 HDEE C=CCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1760513056 ICSMENMARBQHFK-LAPQFRIASA-N 404.515 1.937 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)C(F)F)CC2)nnc1C(C)(C)C 1760528759 LPFRPZWTPMIDNV-UHFFFAOYSA-N 420.455 1.900 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccn2C(F)F)C1 1760543964 WZJCIIDFOYSEEZ-STQMWFEESA-N 407.425 1.650 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1760692876 FDRLDNNVRWKMQP-NVXWUHKLSA-N 404.515 1.658 30 10 HDEE Cc1nnc(N2CCc3c(F)cc(F)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762575407 VMDMLGBILPLQBT-HNENSFHCSA-N 414.416 1.954 30 10 HDEE CCOCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1766562678 WWOIGQJOMSPOPF-ISLYRVAYSA-N 404.515 1.866 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCC2(C1)OCCO2 1769302963 VWJCWWJRYMZFDY-KRWDZBQOSA-N 424.505 1.932 30 10 HDEE CO[C@H]1CN(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1770301665 BHABWNGNRQJJDI-CALCHBBNSA-N 414.491 1.997 30 10 HDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1CCN(C)C1=O 1848976510 OYQDEORDOLLAJK-MAUKXSAKSA-N 421.563 1.896 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 1851501099 MNRZNFRADTXJGR-UHFFFAOYSA-N 417.469 1.721 30 10 HDEE Cn1[nH]c(=NC(=O)c2cccc(C#N)c2)nc1N1CCN(c2ccc(F)cc2)CC1 1851773688 KAMAJXRXLGTVEN-UHFFFAOYSA-N 405.437 1.827 30 10 HDEE Cc1c(Br)c(C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)nn1C 1852157834 RKYIHBKWMFWUTK-UHFFFAOYSA-N 417.207 1.975 30 10 HDEE COc1cccc(CC(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1OC 1852386792 RJUUTAUXKMRXOB-UHFFFAOYSA-N 410.474 1.878 30 10 HDEE C#CCCN1CCN(C(=O)Cn2ncn(-c3ccc(OC(F)(F)F)cc3)c2=O)CC1 1852439048 VQVPTZOEHMDWAO-UHFFFAOYSA-N 423.395 1.100 30 10 HDEE N#Cc1cccc(C(=O)O[C@@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)c1 1852605917 WPGWMTLUZNCEIG-OAQYLSRUSA-N 423.469 1.523 30 10 HDEE COc1ccc(OC)c(C(=O)COCCN2CCN(c3ccc(C#N)cn3)CC2)c1 1852745069 OFDYVGKUKQYBBT-UHFFFAOYSA-N 410.474 1.992 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cnn(CCC)c2C2CC2)C1=O)[C@@H]1CCN(C)C1=O 1854167483 HMGAJNRKVTYUQS-MSOLQXFVSA-N 413.522 1.630 30 10 HDEE Cc1nn(C)cc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854202637 QABRHIAGLWMXKH-LJQANCHMSA-N 406.490 1.159 30 10 HDEE C[C@H]1CCN(C)c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)cc21 1854708535 LDFXWEPJKAFLPX-UONOGXRCSA-N 404.492 1.156 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1855248228 NXSFRDATYPMGPZ-AWEZNQCLSA-N 401.492 1.512 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)CC1=O)n1cncn1 1855842085 ZWPOQPAGMCGGIV-QZTJIDSGSA-N 406.490 1.772 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC[C@@]4(C3)CC4(F)F)ccc21 1856645946 GEZMATSSXWXYGB-KRWDZBQOSA-N 409.414 1.826 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)c2ccncc2F)C1=O 1857051185 AEWRWKIBBLRIQY-GFCCVEGCSA-N 402.407 1.704 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)c3ccc(C(F)(F)F)nc3)C(=O)C2)C1 1857153004 FYHDTRZOMIVFLV-HNNXBMFYSA-N 409.412 1.763 30 10 HDEE C[C@H]1CC(=O)N(C(=O)c2ccnc(C#N)c2)c2ccccc2N1[C@@H]1CCN(C)C1=O 1857248161 KYASCBKTGRWAQY-IFXJQAMLSA-N 403.442 1.956 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@H]1CCN(C)C1=O 1857316813 QUGRSZDPRVQECG-RDJZCZTQSA-N 419.909 1.813 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 1858317593 XAXKHEWWNJJBGO-MRXNPFEDSA-N 423.491 1.747 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)CC1 1872905656 LHEDWLOLKQVNBR-OAHLLOKOSA-N 400.435 1.489 30 10 HDEE CCCCCCCCN1C(=O)C(=C(C)N[C@H]2CCS(=O)(=O)C2)C(=O)NC1=S 2042448753 OUCUXFBPRKMBOI-AWEZNQCLSA-N 415.581 1.641 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2132083455 KLXOOQNXUJUXAZ-UTKZUKDTSA-N 401.463 1.058 30 10 HDEE CC1(C)OB(c2nc(=NC(=O)c3csc(C(F)(F)F)n3)s[nH]2)OC1(C)C 2166414901 CPSPRJGOMZJOOH-UHFFFAOYSA-N 406.220 1.987 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@@](C)(=O)CCN(C)C(=O)OC(C)(C)C)cc1C#N 2174790021 XROCSBKTDMTDBD-SANMLTNESA-N 416.525 1.915 30 10 HDEE C[C@@H](C1CC1)N(CCC#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2181052181 CZNSRJYCHUEQQQ-ZFWWWQNUSA-N 401.529 1.855 30 10 HDEE Cc1nc(NS(=O)(=O)c2ccc(C#N)nc2)ncc1I 2189862323 VJOAMANSVBPHTD-UHFFFAOYSA-N 401.189 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1CNS(=O)(=O)N1CC[C@H](C#N)C1 2194714991 QDBNOGROYQQKFH-KGLIPLIRSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2243387832 BFBBYUDBGLRMFQ-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2243424589 ULLXYPRCIQQNHP-QWHCGFSZSA-N 406.292 1.115 30 10 HDEE Cn1ncc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1B1OC(C)(C)C(C)(C)O1 2247779712 YJPLMYCWQGWCFP-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE CC1(C)OB(c2ccnc(NCCn3ncc(Br)n3)c2F)OC1(C)C 2266065546 KQMMBEZFTPAABI-UHFFFAOYSA-N 412.072 1.986 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](O)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282310090 PEJRGLABNSOHDF-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CNC[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282328335 WATYCCVYYXDYNF-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE CS[C@H]1CCC[C@H]1NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282342034 BDQXIDPNZJOQMM-OLZOCXBDSA-N 401.363 1.282 30 10 HDEE CC1(C)OB(c2scnc2C(=O)N2CCSC[C@@H]2S(C)(=O)=O)OC1(C)C 2282485622 LROIPZXVVZXQSR-JTQLQIEISA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@@H](O)C2)OC1(C)C 2282499196 BBEYSFCAVFBAEA-GFCCVEGCSA-N 401.721 1.785 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@H](O)C2)OC1(C)C 2282501266 VEQHRPNCDWYEIK-RYUDHWBXSA-N 402.347 1.165 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282603266 DBBFFLJQDZOXKC-LLVKDONJSA-N 402.347 1.384 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)ns2)OC1(C)C 2282610204 SFEFTBAUAXMKFJ-LBPRGKRZSA-N 418.371 1.002 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@@H]3CNCCO3)c2Cl)OC1(C)C 2282654259 JEZDBSMHDJUMHN-LLVKDONJSA-N 400.737 1.809 30 10 HDEE C[C@H]1CN(C)CC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849255 YQYLZVJLZXRELY-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE CC1(C)[C@@H](O)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857909 OMZNPQMQDADZFK-OLZOCXBDSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(CCO)CC2)OC1(C)C 2282867502 ZWWPRTUBVJPITF-UHFFFAOYSA-N 401.359 1.629 30 10 HDEE CC1(C(=O)O)CC(NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284402009 FXZMKDOADMXUOZ-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CC[C@H](C)N(CC(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284402091 LKFITJPKBSHVNC-NSHDSACASA-N 403.331 1.921 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336215930 WYXQFILICITEFP-HUUCEWRRSA-N 402.582 1.801 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360621470 YOTSDKDWHKJYAZ-SNVBAGLBSA-N 402.218 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)N2CCC(C#N)CC2)C1 2361536392 CJGIQACCCMMXHU-HNNXBMFYSA-N 408.471 1.701 30 10 HDEE CCc1csc(C#C[C@H](O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n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c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369539289 BBANMPAEIMIBDQ-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC3CCN(C4CC4)CC3)cc2C1=O 22066748 RSKMAKUXIRBQPF-UHFFFAOYSA-N 411.458 1.368 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NCC#CCOc3ccc4c(c3)OCO4)CC2=O)cc1 90730831 IKBKUCKKZKYFMR-MRXNPFEDSA-N 422.437 1.975 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC#CCOc1ccc2c(c1)OCO2 90731001 OEHQLFYSVCFPLL-UHFFFAOYSA-N 404.400 1.993 30 10 HDEE C=C(C)C(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(COC(C)=O)=C31)O2 256283447 BZQDHZDSIXPDSS-UOPZZOSSSA-N 422.430 1.187 30 10 HDEE COc1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc(OC)c1 427240736 DEHLWYPDXKHOAE-UHFFFAOYSA-N 407.423 1.974 30 10 HDEE Cc1oc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1S(=O)(=O)N(C)C 440536183 PKJZMFKDHWOFFK-UHFFFAOYSA-N 403.464 1.067 30 10 HDEE Cc1ccn(C[C@](C)(O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)c(=O)c1 468425943 CLCSYXUOHMVDMV-FQEVSTJZSA-N 411.849 2.257 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O 469826913 AAMAGPDWXAWTLJ-FCEWJHQRSA-N 401.511 1.537 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(C)c1 472195571 QHZIJVUFGXWGJE-UHFFFAOYSA-N 417.491 1.206 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474689517 XGILLIOKXMBKPP-UXHICEINSA-N 403.479 1.932 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)c1c(F)cc(C#N)cc1F 479553226 DQBFDKAUBRSKCM-LLVKDONJSA-N 404.398 1.913 30 10 HDEE CN(C[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1)S(C)(=O)=O 480161186 NIMGUXROMFKFFP-CQSZACIVSA-N 417.495 1.274 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1 506047609 NQXAYXXCMZABMF-UHFFFAOYSA-N 408.499 1.284 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)cc1C 514718886 HBFXMBOCVXAFIK-UHFFFAOYSA-N 413.503 1.197 30 10 HDEE Cc1ccsc1[C@H](CO)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 537792748 RKZAQCVTTAHWLD-HOTGVXAUSA-N 412.471 1.983 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1 541964822 HNLXFWRPUPZCRC-LJQANCHMSA-N 420.535 1.973 30 10 HDEE CS(=O)(=O)c1ccc(OCCCN2CCN(c3cccc(C#N)n3)CC2)cc1 546920222 QOWYULJJGMAVKN-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1Cc1ccccc1 556785759 HLFDQLFEQQOXPS-UHFFFAOYSA-N 421.526 1.029 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)c(I)c1 558014958 UUCAFDBATLZHSG-UHFFFAOYSA-N 413.215 1.498 30 10 HDEE C[C@H](C(=O)Nc1cc(Br)ccc1N1CCN(C)CC1)n1cnc(C#N)n1 565956475 LNVWPGARYJOZJS-GFCCVEGCSA-N 418.299 1.864 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCC(=O)c2ccc3c(c2)OCCCO3)CC1 643054285 BOSMXMACAGTMIS-UHFFFAOYSA-N 415.490 1.257 30 10 HDEE C=CCN1CCC(NC(=O)C(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CC1 672355979 SWIBIPXRZXMZMC-GOSISDBHSA-N 422.533 1.944 30 10 HDEE C=CCOCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 685792538 LNNICPLKEWFAJJ-BUAHTRFOSA-N 406.482 1.785 30 10 HDEE COCCN(CCC#N)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703982928 TYBQBSWNZQCVPZ-UHFFFAOYSA-N 407.492 1.501 30 10 HDEE C[C@H]1CCCCN1S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 714611078 QGCANEMNTWVEBN-LBPRGKRZSA-N 401.363 1.651 30 10 HDEE CC(C)CN(C(=O)COC(=O)Cc1ccc(OCC#N)cc1)[C@@H]1CCS(=O)(=O)C1 732366287 XFRUFBLPXJEYGO-QGZVFWFLSA-N 422.503 1.346 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2ccc(C#N)nc2)c1 734602157 ZHSJJARLFUBCMP-UHFFFAOYSA-N 416.459 1.779 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 744007928 PSRLLSAXBVZWJJ-QGZVFWFLSA-N 412.471 1.452 30 10 HDEE Cn1nc(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc2c1=O 754391159 YTLDUTXLYYWGEG-CQSZACIVSA-N 411.462 1.447 30 10 HDEE CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 757295225 STXOFVZWTTZUEZ-MSXUNZPYSA-N 407.517 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCc2ccnc(-n3ccnc3)c2)C1 758433745 WYNYKMMZUFRSML-CVEARBPZSA-N 411.466 1.826 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@]2(CCO)CCOC2)c1 762214543 PNIYFRKTAOMENT-ACXJOVJBSA-N 424.523 1.410 30 10 HDEE C#CCN(C(=O)Nc1ccc(CCC(=O)N2CCCC2)cc1)[C@H]1CCS(=O)(=O)C1 774040668 UWQRKXUSZXJEPL-IBGZPJMESA-N 417.531 1.896 30 10 HDEE COC(=O)N1CCC([C@@H](C)NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 776921173 PNVJKPMMWVMECK-OAHLLOKOSA-N 400.483 1.652 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccccc2CN2CCCC2=O)cc1 780203928 CZYSJFUVYSEPHO-JOCHJYFZSA-N 421.453 1.574 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 785665289 WPOMDJRGXDMHJG-OAHLLOKOSA-N 421.881 1.466 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(CNC(C)=O)s2)n1 788695449 OBGGJLPGJNGTHM-UHFFFAOYSA-N 410.521 1.051 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(CC(F)(F)F)c2)n1 788695487 PQCRDDCNJAHPNV-UHFFFAOYSA-N 405.402 1.112 30 10 HDEE C[C@H](CC(=O)OCC(=O)OCC(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 788947530 OSHUDFWUCXNEJP-SECBINFHSA-N 408.354 1.152 30 10 HDEE COc1ccc(S(=O)(=O)NCC2(CC#N)CC2)c(NS(=O)(=O)C(F)F)c1 797458249 AUUDGJHRGKUEBI-UHFFFAOYSA-N 409.436 1.632 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)[C@@H](O)c1ccccc1 808948575 ARGKLGGLKRCCDL-KBXCAEBGSA-N 404.430 1.624 30 10 HDEE N#Cc1c(F)cc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 816504744 AIFDDJFLYVJKSE-UHFFFAOYSA-N 404.398 1.581 30 10 HDEE C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 887546262 IOMMEEMLYOOAJW-INIZCTEOSA-N 418.457 1.585 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)C1 914594987 PPBTXJUXMZYKEG-AEFFLSMTSA-N 403.479 1.342 30 10 HDEE COc1ccc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)c(OC)c1 1084331465 LWXKGTRRDZEDMB-UHFFFAOYSA-N 416.467 1.732 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1131243325 ZIFZVDSQBRVIFI-UZLBHIALSA-N 405.462 1.794 30 10 HDEE N#Cc1ccc(OCC(=O)NCCCN2CCCS2(=O)=O)cc1Br 1131890375 IDZFSTOLKTYKJY-UHFFFAOYSA-N 416.297 1.241 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(F)c(Cl)c(N)c2Cl)CC1 1136633055 YSBDGUDHSYVGCA-UHFFFAOYSA-N 401.269 1.612 30 10 HDEE COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(O)C1=O 1141380030 DJVAFBHPZIJNCE-VBKZILBWSA-N 405.451 1.468 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N2CCc3ccccc32)s1 1142984972 MHUUWTQUSMYFER-UHFFFAOYSA-N 419.528 1.460 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@](C)(c2cccc(OC)c2)C1)c1cc[nH]n1 1147427382 GXQGPCMQOOEOLK-OAQYLSRUSA-N 414.462 1.892 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1152780935 AEUANNGVDSNZRJ-MRXNPFEDSA-N 417.315 1.064 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1158819892 WSESVEOBWIXLGC-GDBMZVCRSA-N 406.508 1.536 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@](OC)(C(=O)OC)C3)ccc2c1=O 1161662626 YWVKGWTUWPSYNT-LJQANCHMSA-N 403.460 1.275 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)cc1 1163196090 KEKHHORYJKTMPC-MJGOQNOKSA-N 417.462 1.332 30 10 HDEE CN(C)CC#CCNC(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1170983533 INXJORQELHHTMI-UHFFFAOYSA-N 416.459 1.690 30 10 HDEE O=C(CN1CCO[C@@H](Cn2ccnn2)C1)NCC#Cc1cccc(C(F)(F)F)c1 1174733834 CXDSDPRTDNUKPY-QGZVFWFLSA-N 407.396 1.166 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3nccc(N)c3C2)CC1 1175531846 LLDAJLADVJPEFX-OAQYLSRUSA-N 408.481 1.570 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]([C@@]4(C)COC(=O)N4)C3)CC2)o1 1178125421 HQOUOFOMLMRJAU-FOIQADDNSA-N 401.467 1.808 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(F)c1 1203904637 CUDHQUUMUNFLCU-UHFFFAOYSA-N 405.474 1.997 30 10 HDEE CCOC(=O)c1cc(C)c(Br)c(S(=O)(=O)N2CCO[C@@H](C#N)C2)c1 1209229872 CHGGQRUITFJSIQ-LBPRGKRZSA-N 417.281 1.847 30 10 HDEE C#C[C@H](NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1)[C@H]1CCCO1 1218076143 KAPBJLCHXMSYBF-GOEBONIOSA-N 422.327 1.898 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1 1264565052 PCUTXVZVVGDRAB-IBGZPJMESA-N 420.485 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc([C@H](C)O)cc1 1286297017 ACTGXTXJMDNQKT-RLFYNMQTSA-N 402.520 1.740 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1286363515 UIVHCRIMCPDMSK-UIFIKXQLSA-N 404.511 1.728 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383747 NKYCUWBETZGESQ-YZLZLFLDSA-N 422.551 1.213 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1286395878 SQPWHMIDBHNNIB-SJORKVTESA-N 406.552 1.845 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@]1(O)CCO[C@H]1C 1286464275 YJBYMFFTSCLCHM-YCRPNKLZSA-N 414.462 1.300 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1286493497 CPYASGLVWRWJBJ-HNNXBMFYSA-N 401.540 1.510 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286503227 CCYHQVGQWMRJHO-UHFFFAOYSA-N 424.509 1.962 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCS(C)(=O)=O 1286561006 LKCBFNNERRMCFI-DOTOQJQBSA-N 420.539 1.587 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286601100 SFYXKGGOFFZXBL-GOSISDBHSA-N 404.559 1.737 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCNS(=O)(=O)CC)CC1 1286638618 HMUQCCFYLYPNSD-SFHVURJKSA-N 413.544 1.026 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)CN1CCOCC1 1286720981 XYJPFOQUIXGNRQ-QGZVFWFLSA-N 423.525 1.511 30 10 HDEE C=CCn1c(N2CCN(c3nc(C)cc(C)n3)CC2)nnc1[C@]1(OCC)CCOC1 1286778098 RBXSDHNTMBWWRG-NRFANRHFSA-N 413.526 1.850 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(C)s2)C1 1286798378 KBFHHSPNQBCTBS-AWEZNQCLSA-N 403.512 1.504 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1286809830 LQHSXUXXEKJBSF-DLBZAZTESA-N 415.494 1.976 30 10 HDEE Cc1cnc([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)s1 1290292742 AWIPTZNOYLJXRF-TZMCWYRMSA-N 403.512 1.714 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)N1CCOCC1 1300304492 OVLZNYALDZKECZ-HOTGVXAUSA-N 421.505 1.773 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)C1CCCCC1 1300464345 BPGZLMDWCQDBPB-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1300482603 GFUISVJJRAZPEJ-AEFFLSMTSA-N 418.567 1.785 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC(C)C)nc1 1300663887 KSBYDLDPSMFFGV-KRWDZBQOSA-N 412.494 1.546 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H](C)N1CCN(CC)CC1 1300665702 ODFWOJWBBIOKDB-IBGZPJMESA-N 411.554 1.452 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCC=CO2)CC1 1300726592 OIQXJGVBPKWUMD-FQEVSTJZSA-N 420.517 1.922 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1300755922 ANRREQZPGBBRBS-INIZCTEOSA-N 418.567 1.337 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300869589 MUDYPHPLVFSUOE-RTBURBONSA-N 403.527 1.643 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NCCc3cccs3)cc2)CC1 1301219316 IMTWZMJACDOAQC-UHFFFAOYSA-N 418.540 1.869 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCCS1(=O)=O 1301279252 ZMHXSZRFEIDVHX-UHFFFAOYSA-N 406.468 1.511 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCNC(=O)C1)C(C)C 1301366459 CJRIHAJONMQTQV-LJQANCHMSA-N 409.538 1.975 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C#N)CC1 1301461886 CLPSKIYAFXRDDM-ABSDTBQOSA-N 407.515 1.530 30 10 HDEE CC(C)OCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1303548418 MEHZNHDHTFBCQL-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1303629550 NCNOQBGCADLITQ-CYBMUJFWSA-N 415.889 1.906 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nccnc2C)n1 1304753352 BKFQYPRBEKCHMH-FQEVSTJZSA-N 409.473 1.923 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 1309844480 QCFGTMGJFYIDOC-PMACEKPBSA-N 419.547 1.805 30 10 HDEE CN(C)CCCN(C)CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1312536869 BRXUAGHLUPBVNN-UHFFFAOYSA-N 402.543 1.826 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)NCc2ccnc(-c3ccccn3)n2)CC1 1313215240 BQWLOSJSMDELAF-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(NS(=O)(=O)CC)c2)n1 1320974848 AJWXTRCHOHWXEP-UHFFFAOYSA-N 404.492 1.567 30 10 HDEE COC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 1337434173 LLGPJOROGAIFBW-INIZCTEOSA-N 405.451 1.758 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2=O)cc1F 1352234540 GWWPIGJUITUEQJ-CYBMUJFWSA-N 412.425 1.557 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCc1c(C)noc1C 1359026533 BAFHCEKAJHZIDU-UHFFFAOYSA-N 400.483 1.334 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C(C)C)CC1 1359034703 AUWUXMDOGFOBDG-SFHVURJKSA-N 402.543 1.437 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCn1cncn1 1359254925 IBJGPOBVUBXNRD-UHFFFAOYSA-N 419.493 1.772 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccc(C(N)=O)c2)C1 1359319127 SXYHZELRWNDKBJ-LJQANCHMSA-N 421.505 1.802 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1359476384 CXOKDXZYQWSFQN-INIZCTEOSA-N 415.542 1.835 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nn2c(c1Br)CCC2 1435552520 OXVHGNZKDCEIEG-NSHDSACASA-N 416.283 1.604 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1446786927 RSUXPHJLZMLZKL-ROUUACIJSA-N 414.506 1.996 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cc(Br)cs2)CC1 1455115001 KCMFDBIFNOTDJY-UHFFFAOYSA-N 420.354 1.055 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 1455647014 QLTPDYVDLULLSU-GFCCVEGCSA-N 402.432 1.901 30 10 HDEE C=CCCC[C@@H](NC(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1)C(=O)OC 1455838652 VBRJJCGQIANRDD-CQSZACIVSA-N 417.524 1.537 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1456231276 ZDYMUEFRFCYZRV-CVEARBPZSA-N 417.510 1.861 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@]2(C)O)n1 1460048757 RQNSHKRSRXZRRJ-RXVVDRJESA-N 406.527 1.725 30 10 HDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1460309798 TZRYFBKOCFOSTK-QZWWFDLISA-N 403.552 1.431 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cnn1CCC#N 1463457586 YWGNTLPSBRXJEK-IUODEOHRSA-N 404.414 1.687 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccc(C#N)cc3F)CC2)cc1 1464944395 GYQDHKVYDMOCBX-UHFFFAOYSA-N 410.449 1.894 30 10 HDEE Cn1cnnc1-c1cncc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1466587720 XMRFQAZUTXDUNL-UHFFFAOYSA-N 400.395 1.566 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H](Cc2ccncc2)NC(=O)OC(C)(C)C)C1=O 1467532808 VUADPXGDGFCDPX-DLBZAZTESA-N 402.495 1.763 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(CNC(=O)OC(C)(C)C)nc1 1469876156 CGUVXFBJJIIYHT-UHFFFAOYSA-N 404.467 1.918 30 10 HDEE CCOC(=O)CON=C(C(=O)N=[S@](C)(=O)c1ccc(OC)cc1)c1cc[nH]n1 1471989639 RUCTXYIJEJMEPC-MUUNZHRXSA-N 408.436 1.386 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCN(c4ccc(F)cc4C(N)=O)CC3)C2=O)cc1 1473665257 AGWJQRHYKAUPFL-FQEVSTJZSA-N 407.449 1.724 30 10 HDEE CCOC(=O)c1csc(N2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC2)n1 1475792617 IDVNJHDHBWUDOA-CYBMUJFWSA-N 415.541 1.168 30 10 HDEE CCN(CC)CCOc1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1 1476124137 HNTNWUQTZJMSQQ-UHFFFAOYSA-N 414.466 1.363 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1478736595 OFXYRVMPCAJMLH-UHFFFAOYSA-N 406.552 1.274 30 10 HDEE CCC(C)(C)OCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1478780564 IZCMHDXKAXDODF-UHFFFAOYSA-N 408.524 1.779 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC[C@H]2CCOC2)cc1 1505319738 JGFVXVOCFRZNRI-KRWDZBQOSA-N 415.519 1.724 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCOCC)c1 1507548343 RDPNODMXVQQBEU-UHFFFAOYSA-N 424.505 1.607 30 10 HDEE C#CCCCn1c(N(C)[C@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1507598224 CRURSYFSMIJTHX-VQIMIIECSA-N 412.556 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(C2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507653486 QUAKWNSJOOZYPX-MSOLQXFVSA-N 401.536 1.433 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC1CC1 1507653802 RIHUAEOURJWSIW-IBGZPJMESA-N 405.458 1.390 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(C)CCOCC1 1507703288 SZGQVMUKQCZQAH-UHFFFAOYSA-N 412.494 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@]1(N(C)C)CCSC1 1507711822 IQBMVRNTUOWWMR-NRFANRHFSA-N 414.579 1.787 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1507824548 CNLXCGABYZVXKF-HXUWFJFHSA-N 415.519 1.784 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507832158 PPROUKQSKJYPKM-XOBRGWDASA-N 402.499 1.563 30 10 HDEE C=C(C)Cn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@]1(OCC)CCOC1 1507834988 FBFFMLNCNIOAHF-NRFANRHFSA-N 403.527 1.955 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1507837249 KXKOGAAUUZABPO-CQSZACIVSA-N 401.533 1.096 30 10 HDEE C=C1CCN(c2nnc(-c3noc4c3COCC4)n2CCS(=O)(=O)CC)CC1 1507884468 UXYAFLJPFODOMH-UHFFFAOYSA-N 407.496 1.597 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCc1ccn(C)n1 1507972088 FXGVQJCSTHPYGT-UHFFFAOYSA-N 400.508 1.947 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1508159141 LBPBEGSWBGMUSD-CVEARBPZSA-N 420.583 1.842 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1510311052 VJDVFNFYVGWGHB-GCJKJVERSA-N 422.489 1.776 30 10 HDEE Cn1nccc1[C@@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OC(C)(C)C 1530750602 DLCQBQJHMNHJIC-HNAYVOBHSA-N 423.473 1.844 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3Cc4cccc(C#N)c4C3)CC2)c1 1530935850 CJOGDMMNUYLKBZ-UHFFFAOYSA-N 424.526 1.861 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1539125372 LNFUDMXYXXSQIW-MAUKXSAKSA-N 416.503 1.827 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1539132374 JYLPLRYJNWYEON-MRXNPFEDSA-N 402.499 1.529 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539201691 BVJASXCREDFKBB-QRWLVFNGSA-N 420.535 1.703 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1ccnc1C)[C@H]1CCS(=O)(=O)C1 1539202507 JFULTKKIEIJENR-KRWDZBQOSA-N 418.567 1.798 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)CC 1539346644 HKAAPYFEMKIFSN-UHFFFAOYSA-N 407.316 1.984 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CC(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1539557310 PXEBMKRQCOOVLE-LJQANCHMSA-N 408.568 1.799 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539831008 BOBRQOZVJHQDOT-DLBZAZTESA-N 412.556 1.983 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1540039896 JEWSHYXFBFJSAM-IBGZPJMESA-N 415.542 1.837 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1540063836 FADBYNJAGQMKOD-WBVHZDCISA-N 417.539 1.562 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C)C1 1540863999 MFUAUXDCPSNOGG-LBPRGKRZSA-N 423.315 1.573 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](COC)C1 1540864593 FRKIYACLFPPMQJ-INIZCTEOSA-N 405.886 1.752 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](CC(N)=O)C1 1540866624 UWGBNUQBUZRROE-CYBMUJFWSA-N 417.901 1.388 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1552681875 SMCDMKDJSDYJPI-IRXDYDNUSA-N 424.461 1.799 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1552708984 GQCVHLBCHSROIW-GOSISDBHSA-N 419.493 1.728 30 10 HDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1)C(C)(C)C 1554629964 BIBGKOQAKIRPAQ-XNJGSVPQSA-N 416.523 1.391 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)N1CCOCC1 1555769741 AUIWQUXIUSIELJ-UHFFFAOYSA-N 400.483 1.837 30 10 HDEE COc1c(C)[nH]cc(CN(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1=O 1557743496 KBKJYGAIOQQQFB-UHFFFAOYSA-N 407.423 1.401 30 10 HDEE Cc1cc(CCNC(=O)CCn2cc(C#N)c(O)nc2=O)c(C)n1-c1ccccc1 1557818765 IPAQDNQKUUJYFU-UHFFFAOYSA-N 405.458 1.977 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1C(=O)OC)C(=O)OCC 1561574385 RIIDOPLSBQLSCX-CQSZACIVSA-N 413.448 1.436 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 1564655064 TZIGNQVJGDAACC-VQTJNVASSA-N 412.515 1.491 30 10 HDEE CON=Cc1ccc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1 1570539716 IAJSFUVBVCXDIL-UHFFFAOYSA-N 415.515 1.827 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCCC#C[Si](C)(C)C)cnc21 1584145704 RTEWTYATDYIMSU-UHFFFAOYSA-N 410.348 1.280 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCOC[C@H]2c2ccnn2C)ccc1F 1585077699 WRDXRIYLPADSNL-INIZCTEOSA-N 408.455 1.237 30 10 HDEE C=CC[S@@](=O)(=NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 1586027957 UQTHJKBLRBTCRU-POXGOYDTSA-N 423.516 1.392 30 10 HDEE C#CCSCCNC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1586534854 SMIFXPMRJKQIQP-UHFFFAOYSA-N 403.508 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1587550201 KIXXEHFFGDOXCM-OAHLLOKOSA-N 421.505 1.916 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCOC(C)(C)C1 1587556726 SLHRQERVHKCHNQ-MRXNPFEDSA-N 411.510 1.494 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1587614016 BITNUHULFSSCDB-FXAWDEMLSA-N 417.517 1.808 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCS(=O)(=O)C1 1588030412 URDKAQHKMSRNHT-BRSBDYLESA-N 408.568 1.969 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCn2nc(C)cc2C)CC1 1588805707 AKAXXIMWPOTHME-UHFFFAOYSA-N 405.510 1.394 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1594566163 ALPLKEDUDCATPV-KBXCAEBGSA-N 410.544 1.104 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nccn2C(F)F)C1 1595664570 GURILBCYCWWHSG-ZDUSSCGKSA-N 409.441 1.838 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCO[C@H](C(C)(C)C)C1 1595789180 OOSLVMKQNUAZTM-INIZCTEOSA-N 420.539 1.587 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1610466176 SUQJZSSSSRFWIR-HBGVWJBISA-N 416.526 1.727 30 10 HDEE CC[C@H](C)c1nnc(N2CCNC(=O)[C@H]2CC)n1CCN/C(O)=C1\N=CC=CC1=O 1613341680 AWULHKZZENOTNT-VTNSMKTPSA-N 415.498 1.033 30 10 HDEE C=C(CN(C)C)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1615710852 KMMJPLMJADYRCL-UHFFFAOYSA-N 402.520 1.576 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4ccccc4OC)n3)CO[C@@H]12 1616132267 MBERMFJXRXLJMZ-ISARSNTHSA-N 411.462 1.584 30 10 HDEE CCOCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCO[C@H](C#N)C1 1617191457 OYYSILZALDQVSL-QGZVFWFLSA-N 412.498 1.217 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1617488350 XEIYOBUQUOTPSP-XPTSAGLGSA-N 403.338 1.624 30 10 HDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1619504266 UXZLISSYPKQZCS-GCJKJVERSA-N 424.505 1.822 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1620657944 DWWNTYQLTXJMER-SANMLTNESA-N 412.581 1.618 30 10 HDEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)n1cnc2c(N)ncnc21 1623494391 HXOITHVNEDHFRM-CJNGLKHVSA-N 408.441 1.518 30 10 HDEE C=CCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1626631959 NRGNZDACQJWKOM-BZUAXINKSA-N 416.540 1.318 30 10 HDEE COC1([C@@H](C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCOCC1 1626780180 GMKQKUWAPWLDRU-CQSZACIVSA-N 409.508 1.206 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H]2CCCc3nn[nH]c32)n1 1627670679 YOJVFFUWSIWULN-SNVBAGLBSA-N 402.509 1.977 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(C(C)(C)C)c2Br)CC1 1628147198 ZIUDSWUBVLRYBL-UHFFFAOYSA-N 424.343 1.298 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H]3NC(=O)CC[C@@H]3C2)C1 1628787850 JTYOHVWXDXQBPP-WBMJQRKESA-N 417.307 1.884 30 10 HDEE COCCN(CC#N)C(=O)COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 1629261108 DNWIZPDXIFCVJO-UHFFFAOYSA-N 423.516 1.951 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 1629338565 GCNYNKABDJQAHI-UHFFFAOYSA-N 412.467 1.586 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 1629978777 VNQZJSLZOZEOFL-QZTJIDSGSA-N 424.542 1.523 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(C(=O)OC(C)(C)C)CCC1 1630421770 DSNJMNMRHRCOFT-AWEZNQCLSA-N 421.519 1.853 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 1632646917 FLMSLBSSCQSPHN-QUSNUVHPSA-N 408.495 1.977 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCN(C(=O)COc2ccccc2)C1 1634686693 AFLQDMRXUMIPRY-PZJWPPBQSA-N 422.485 1.913 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(c2cnn(C)c2)=NO1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818745 UVWAZABTORNAHR-SFHVURJKSA-N 415.494 1.774 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC2(O)CCOCC2)C1 1635144870 JFMWPOFMXOWJTJ-UHFFFAOYSA-N 408.296 1.805 30 10 HDEE COCCCn1cc(C)c(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1635879237 RDWMNFVCIDFVHK-UHFFFAOYSA-N 419.507 1.685 30 10 HDEE N#CC[C@H](CC(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1ccccc1 1636696606 TYXPTQPZKGWZRZ-YJBCQJRQSA-N 403.504 1.401 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1638024455 WXFFYVQKFUUURK-VUAZUDAXSA-N 406.483 1.807 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CCCON1C(=O)c2ccccc2C1=O 1642277590 YLDGZAQRHBEPMN-OAHLLOKOSA-N 406.446 1.477 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CCOCC3)CC2)CC1 1642549902 SSNUZUJPODYERZ-UHFFFAOYSA-N 405.539 1.960 30 10 HDEE CN(C[C@H]1CCCN1C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1643184865 PPERDOJNPFZNSH-MRXNPFEDSA-N 406.552 1.838 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1643335732 SNBGOKSWHJBOSG-LDNFRZNASA-N 409.483 1.355 30 10 HDEE C[C@]1(c2cccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)NC(=O)NC1=O 1643806790 BKWHRLVFFQGMMK-JOCHJYFZSA-N 421.432 1.714 30 10 HDEE C[C@H](CC(=O)N1CCC[C@H](c2ncccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1645596775 TXZQYPBSPVVDPV-CABCVRRESA-N 413.503 1.700 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c(Cl)c1 1645997545 CXTPFLRLFWFLSP-CYBMUJFWSA-N 417.874 1.960 30 10 HDEE COC(=O)[C@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccnn1C 1646399962 VOGWVFHEGJLVMR-QGZVFWFLSA-N 408.380 1.411 30 10 HDEE C[C@H](CC(=O)N[C@H]1CCOCC12CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1648104614 DBNXMNVNWBBHQI-PBHICJAKSA-N 405.520 1.969 30 10 HDEE COCC(=O)NCCC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1648125406 FFUWORRKXILMGE-YUMQZZPRSA-N 412.277 1.769 30 10 HDEE C[S@@](=N)(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1648250247 KHEMTRGAERNZBX-MHZLTWQESA-N 402.442 1.382 30 10 HDEE Cc1nc(COc2cccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)c2)cs1 1648790483 KMQIGLLJLKVCTM-UHFFFAOYSA-N 423.454 1.862 30 10 HDEE N#CCSc1ccccc1C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1653195869 KPGAYZJSIHCTBR-YNAXMUEKSA-N 407.517 1.243 30 10 HDEE C[C@@H](CO)C1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1654980964 FDYODRYADMPBMZ-UWJYYQICSA-N 402.514 1.875 30 10 HDEE C[C@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC(c2ccc(C#N)cn2)CC1 1655173112 VIUWZORWQARACU-CQSZACIVSA-N 413.503 1.807 30 10 HDEE C#CCC1(O)CCN(CC(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)CC1 1655431874 WRISBAYOWMKPEY-UHFFFAOYSA-N 411.546 1.577 30 10 HDEE CCOC(=O)c1csc(N2CCN([C@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)n1 1655902895 REZUMNVTYYQSMY-AUUYWEPGSA-N 407.540 1.885 30 10 HDEE Cc1cc(Br)c(Cl)cc1S(=O)(=O)NCCn1cnc(C#N)n1 1663229660 BLZNACSRBZOANC-UHFFFAOYSA-N 404.677 1.853 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2C[C@H](C)O[C@H](C(=O)OC)C2)cc1 1667956205 LIEODUSEUIHGJV-BBRMVZONSA-N 411.480 1.287 30 10 HDEE CC(C)(C)OC(=O)N1CC(CS(=O)(=O)N2CC(Oc3ccc(C#N)cc3)C2)C1 1668498388 HUFVBRTWMZSJCN-UHFFFAOYSA-N 407.492 1.818 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)n1 1669437003 PFMBWXYGWWXIHB-SFHVURJKSA-N 419.526 1.978 30 10 HDEE C#CCCN(CCOC)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1673652904 IHQIOQHSCXSIDT-UHFFFAOYSA-N 400.523 1.565 30 10 HDEE O=C(NCC#CCO)N(CCN1CCOCC1)Cc1sccc1Br 1684766674 XRCWFJLJTPBZEE-UHFFFAOYSA-N 416.341 1.350 30 10 HDEE C#C[C@@H](NC(=O)NCC1(O)CCS(=O)(=O)CC1)c1ccc(Br)cc1 1686919661 JYEIUKCQNZQZPZ-CQSZACIVSA-N 415.309 1.362 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1687889501 ZWHNLQNRERJWKQ-QGZVFWFLSA-N 419.530 1.214 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCCO 1689834870 AXFWGUYIPLWIOB-MRXNPFEDSA-N 419.551 1.816 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1689985854 CVIOGHYHFPKABC-OXQOHEQNSA-N 419.551 1.317 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](COC)OC 1690046734 GHLHHRBQCGCQDB-FXAWDEMLSA-N 410.474 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCS(=O)(=O)N(C)C 1690049771 GRTZLQPTDPBEKA-UHFFFAOYSA-N 413.547 1.532 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)OC(C)(C)C)CC1 1690120553 YPYQTLHBNITOAQ-UHFFFAOYSA-N 411.510 1.620 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCCC)CC1 1690136392 CXZWGPZMGHMNLT-OAHLLOKOSA-N 424.571 1.044 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1690669884 RGOZXQKQTGBULL-UHFFFAOYSA-N 400.443 1.404 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@H](OC)C1 1690717982 XGISJTPUQMDOHR-QGZVFWFLSA-N 406.508 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN(C)C(=O)[C@H]1C 1690726745 KFODWRURIQALKK-OAHLLOKOSA-N 409.556 1.279 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1690999030 APSABGZFJHHCSV-AWEZNQCLSA-N 400.446 1.955 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1705545413 ZLOPAXLJXYHWOD-UHFFFAOYSA-N 403.508 1.286 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1705562118 XTKDESYWSCYNQQ-HOTGVXAUSA-N 402.476 1.053 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)no1)[C@H]1CCS(=O)(=O)C1 1705564202 MLNCKGDAOFBLHM-HNNXBMFYSA-N 414.491 1.255 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1705569712 GCEGTACGRKPJRL-KRWDZBQOSA-N 418.567 1.758 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1Cc1c(C)nn(C)c1C 1705584757 WIGYUSPTRGCLRY-UHFFFAOYSA-N 412.501 1.988 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705738922 PBLKDAWUWYCCFD-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705909523 ZQKAFYKODRBIIW-DWRORGKVSA-N 419.526 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCC[C@H](C)C1 1705934632 RMCFSMKOZGREDX-XHSDSOJGSA-N 409.556 1.845 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC=CCO1 1706866185 HNAAVHZLLZUALP-GJZGRUSLSA-N 408.528 1.363 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCCCO1 1708152665 QJJNJZGWRIQNQV-QFBILLFUSA-N 424.505 1.965 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H](C)O1 1712285302 NWMPYOSKZWHUSI-QGTPRVQTSA-N 410.478 1.335 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1CC1(N(C)C)CCOCC1 1712621325 CRPXSHZHOGNLAC-SQNIBIBYSA-N 420.558 1.851 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCSCCCO)CCN1C1CC1 1712884351 KKJMGTKRBDIFEG-ROUUACIJSA-N 420.583 1.812 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722332972 FUWFNHSRLSQFOT-QZTJIDSGSA-N 421.567 1.937 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1722537088 KMSLFYJCEQXICT-GOSISDBHSA-N 413.526 1.800 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCN(CC)CC2)CC1 1722558877 BSCYXFCFEXUMFL-UHFFFAOYSA-N 403.575 1.600 30 10 HDEE C=CCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622120 FWJIQVVAFGLXST-GHTZIAJQSA-N 405.543 1.806 30 10 HDEE C=CCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1722686441 YQPVKNOPVPTPJD-QZTJIDSGSA-N 402.543 1.839 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1722703519 AVSCCOJBJXLWTK-LLGFUMIMSA-N 403.527 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C(N)=O)nc2)C1 1722711478 DSHFMNKIPMIURV-MRXNPFEDSA-N 407.478 1.607 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1722730167 KLSCRFWVJCHEFG-UHFFFAOYSA-N 423.583 1.717 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722739864 JKPAKNPYGBOJJD-VCBZYWHSSA-N 407.540 1.533 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@](C)(C#N)C2)CCC1 1728655369 CEPNIYHRIVZAQZ-YWZLYKJASA-N 413.526 1.666 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCOC1 1729350703 DOPICEBVCNHSQR-DOTOQJQBSA-N 401.492 1.477 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1730761111 HMTOSRNHTWZHCH-HXUWFJFHSA-N 402.474 1.517 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1conc1COC 1730846345 ZQIMPSRCJFVRCT-UGSOOPFHSA-N 408.434 1.627 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1740875605 GQFYEUVWVSHZTO-RHSMWYFYSA-N 412.491 1.019 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)C)C1CC1 1740910464 FIVFOUBEFWYEEM-UHFFFAOYSA-N 400.483 1.933 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCCS1(=O)=O 1742399238 GADQSBCHZKOURS-DLBZAZTESA-N 415.519 1.950 30 10 HDEE CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)C1 1745685914 BDXVSHDOSDYJLQ-IXDOHACOSA-N 408.572 1.508 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H](C)C(=O)NC 1745781026 IAQXDCRQCKBDOZ-HNNXBMFYSA-N 411.510 1.551 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@H](F)COC 1747205362 JRLJHHVGPMDJIE-LJQANCHMSA-N 416.501 1.993 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1748803949 BIRNBAFYSKJLFL-HOTGVXAUSA-N 421.567 1.464 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(C(=O)N(C)C)CCCC1 1748853117 URKCWNKZGHGOHZ-UHFFFAOYSA-N 404.518 1.985 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@H]2C)CC1 1748984781 QUSAETKBXYUMRR-JTSKRJEESA-N 406.490 1.112 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1749208722 AXAFASWWMITJQR-NQIIRXRSSA-N 416.526 1.917 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)C[C@H](C)C1 1749658950 ZMJHKUFTCQQUPZ-HOTGVXAUSA-N 421.509 1.705 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749674528 GFTRJSVXFOYCRW-GOSISDBHSA-N 424.505 1.966 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1749721227 DEHBUJCZZUZAEQ-IBGZPJMESA-N 411.572 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)CCCS(C)(=O)=O)nnc1C(C)(C)C 1749739833 KUYSIBDPJCRYBM-UHFFFAOYSA-N 406.574 1.047 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1750175430 DJGNJOZBNHRSPV-CQGGRAHPSA-N 415.519 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)N(C)C)c1 1760114405 LWHJEPVRSXITNW-QAPCUYQASA-N 408.506 1.632 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCC[C@@H]1NC(=O)NC1=O 1760124245 QKEQVWPFVKQOID-AEFFLSMTSA-N 424.505 1.920 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1760188286 OHJKFXNOFNHMAS-ZWKOTPCHSA-N 424.567 1.616 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760278757 GINBIPLLPJTDQN-QGZVFWFLSA-N 400.552 1.798 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCC1 1760503317 FSWRUHAQCAYWHW-UHFFFAOYSA-N 424.505 1.746 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1760504996 HYGDGUKICCZPSI-GOSISDBHSA-N 415.494 1.954 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1)OC 1769237252 FUEQHXKNTZZAJS-MSOLQXFVSA-N 410.478 1.289 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1769272939 QVMVNDPVSHWWIX-BRWVUGGUSA-N 417.441 1.161 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1Cc1ccc(C#N)o1 1769985125 XZJUIZYFCPUZAC-BFUOFWGJSA-N 402.455 1.217 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)CC1 1771360892 GEIALBLSAZSZNH-UHFFFAOYSA-N 416.507 1.535 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccs2)C1 1771528778 DQLHHMYMUDQLTA-SCLBCKFNSA-N 404.471 1.715 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCC2=O)CCO1 1771536816 CGEREWJGHNZSSS-IRXDYDNUSA-N 402.499 1.303 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H]1COCCO1 1771543367 CUZWPKZNEBYXAR-DLBZAZTESA-N 423.539 1.116 30 10 HDEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2ccc(C#N)cn2)CC1 1851455968 VGSSWWBJLUNPKY-UHFFFAOYSA-N 403.446 1.501 30 10 HDEE N#Cc1cccc(C(=O)O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c1F 1851589968 LTWDNWQQIXBBHB-SJLPKXTDSA-N 407.401 1.866 30 10 HDEE N#Cc1ccc(C[C@H](NS(=O)(=O)c2ccccc2)C(=O)N2CCCOCC2)cc1 1851612323 RPJBDDQAFYQIJE-FQEVSTJZSA-N 413.499 1.697 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CCCS(=O)(=O)c3ccc(F)cc3)CC2)n1 1851653164 BPPWNUNFNBHGNP-UHFFFAOYSA-N 417.466 1.390 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](C)S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1 1851747782 YFBYELSPTKJSIB-CYBMUJFWSA-N 403.426 1.430 30 10 HDEE Cn1nc(C(F)(F)F)c(C#N)c1N(Cc1ccccc1)C(=O)CN1C(=O)CCC1=O 1851817270 VOVQWTRINAGRRY-UHFFFAOYSA-N 419.363 1.993 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cnc(O[C@H]4CCOC4)c(Cl)c3)CC2)n1 1852388485 DQDZLEHQQKAKKC-HNNXBMFYSA-N 414.853 1.527 30 10 HDEE Cc1cccc(CN2CCN(C(=O)Cc3cc4c(cc3C#N)OCO4)C(=O)C2=O)c1 1852847375 UBJKEEHFEKQBBN-UHFFFAOYSA-N 405.410 1.536 30 10 HDEE C=CCC1(S(=O)(=O)NC(CN2CCSCC2)=NOC[C@@H]2CCCO2)CC1 1853500326 NWQMCDWAMYWCHZ-HNNXBMFYSA-N 403.570 1.572 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2=O)cc1 1853872784 VNIHUJSCMRWWRA-UHFFFAOYSA-N 419.409 1.651 30 10 HDEE Cc1cc(C)n(CCC(=O)N2CCN([C@@H](C)CCC#N)C3(CCCC3)C2=O)c(=O)n1 1854454686 RWSQMUKVAHQTOJ-KRWDZBQOSA-N 413.522 1.926 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1856496113 AMJYZOZYGCTHOO-AEFFLSMTSA-N 418.519 1.060 30 10 HDEE CS(=O)(=O)C1CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1856534438 ZRBUDSPQAUILPV-LJQANCHMSA-N 417.531 1.517 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1857238615 FTRQKZKZRJVIAT-QGZVFWFLSA-N 414.506 1.718 30 10 HDEE N#CCC1CCN([C@@H]2CCCCN(C(=O)c3ccc(-n4cnnn4)cc3)C2=O)CC1 1857247275 QCSRMGCLZGWIAB-LJQANCHMSA-N 407.478 1.809 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CSc2ccncc2)C1)[C@H]1CCN(C)C1=O 1857263600 HNGGLYLRCOXFFJ-RDJZCZTQSA-N 402.520 1.268 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334895 LKAOMBHRWLFMKS-INIZCTEOSA-N 416.484 1.171 30 10 HDEE COc1cccc([C@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)c1 1862556878 GXBRAMZKXKVXGU-IBGZPJMESA-N 409.442 1.992 30 10 HDEE COc1ccc(C(=O)C2=C(O)C(=O)N(CCO)[C@H]2c2ccc(O)c(O)c2)cc1OC 1862569657 RRKVTVRVVYZVRY-SFHVURJKSA-N 415.398 1.686 30 10 HDEE CCOC(=O)c1ccc(N2C[C@@H](C(=O)N(CCC#N)[C@H](C)C(=O)O)CC2=O)cc1 1866319456 VPEJGFSAFGDLJK-HIFRSBDPSA-N 401.419 1.432 30 10 HDEE COc1cccc(-n2nnc(C#N)c2NC(=O)CCN2C(=O)c3ccccc3C2=O)c1 1870144148 PXXDBIKHFSDDTB-UHFFFAOYSA-N 416.397 1.772 30 10 HDEE COC(=O)c1sc(C2=C(N)N(CC3CCC(C(=O)OC)CC3)CC2=O)nc1C 1872724796 RYTKAKBUVUBOCP-UHFFFAOYSA-N 407.492 1.730 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1872952365 QWSLGKVYGMWNPJ-INIZCTEOSA-N 413.474 1.352 30 10 HDEE Cc1nn(C)c(C)c1/C=N/n1c(SCC(=O)NC2CCCCC2)nnc(C)c1=O 1873495450 SNNVENRIURBYBK-KEBDBYFISA-N 417.539 1.720 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)NC[C@H]3CCCO3)CC2)CC1 1889407045 PQOISXGVUOVXPL-OAQYLSRUSA-N 406.571 1.385 30 10 HDEE C#CCOC1CN(C(=O)C[C@@H]2CSc3nc4c(cnn4-c4ccccc4)c(=O)n32)C1 1891421408 YRCPQLCFZFGSML-OAHLLOKOSA-N 421.482 1.480 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@@H](O)CCNC(=O)OC(C)(C)C 1900101599 DCEQBKCRCDZDQI-AWEZNQCLSA-N 401.504 1.849 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1CO 1981509838 SKEWJTCSVXIQMU-NWDGAFQWSA-N 413.334 1.432 30 10 HDEE C=CCN1C(=O)C(=Cc2c(NCCCO)nc3ccccn3c2=O)SC1=S 2053497726 QGMQIWLCEVQBPT-UHFFFAOYSA-N 402.501 1.876 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)C1 2118165523 BSTKQSJPRFWPGS-BZSNNMDCSA-N 422.507 1.140 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 2118167300 NQRLTCSAAXELNW-SFHVURJKSA-N 415.471 1.874 30 10 HDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)C[C@@H](C#N)C(C)C)C1 2174788019 AATZJDNJBYDTKE-SFYCDEOASA-N 403.501 1.300 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CNS(=O)(=O)N2CC(C#N)C2)(C(F)(F)F)C1 2174788188 BRTWFHWPOGCOIF-AWEZNQCLSA-N 412.434 1.466 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC[C@@H](O)C1)c1cscc1B1OC(C)(C)C(C)(C)O1 2186631453 ROZCJABMGTZDJS-VXGBXAGGSA-N 402.347 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CNS(=O)(=O)CC2(C#N)CCCC2)C1 2201301384 BKSCLOFBQMWUPM-SFHVURJKSA-N 401.529 1.752 30 10 HDEE C[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)NC(=O)OC(C)(C)C 2243388413 ASZZFXUMBHSKON-GFCCVEGCSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2247138666 PZWSOBHCOFFIOP-UHFFFAOYSA-N 423.319 1.041 30 10 HDEE CC(C)(C)OC(=O)N1CCC12CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247920505 ZJKMCYOCGZQZND-UHFFFAOYSA-N 418.303 1.544 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N[C@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2248588029 YBJPVZRBHHVBOO-QGZVFWFLSA-N 414.267 1.714 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258161236 ZPRQBNDSUFLUTI-GOEBONIOSA-N 411.480 1.266 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CC[C@H]3O)cc2Cl)OC1(C)C 2267353973 UBURDWBJLHHTDJ-GXSJLCMTSA-N 407.750 1.750 30 10 HDEE C[C@@H](CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282030503 GTJBAOQHETVANK-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCNC1 2282310728 XYXARYWAKKVYIE-CYBMUJFWSA-N 400.375 1.634 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)CC2CNC2)sc1B1OC(C)(C)C(C)(C)O1 2282315498 OTODMGSRPUUOEE-LBPRGKRZSA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@H](O)C1(C)C 2282323344 ZFWCUXKOVMWTPN-QWHCGFSZSA-N 401.359 1.793 30 10 HDEE CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282324651 SDWYFTRVZCEFJF-PWSUYJOCSA-N 421.415 1.746 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CC[C@H](N)C1 2282326452 SKUGRMBBYXZCAY-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CN1CCC(C)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282418784 KSWBBCVOJMZRRR-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)Nc2nncs2)OC1(C)C 2282495614 OQROGVSNKFZJNM-UHFFFAOYSA-N 403.241 1.916 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CC[C@@H]3CN)ccc2Cl)OC1(C)C 2282498075 YNLGNMOMVMUUMW-IAQYHMDHSA-N 400.737 1.655 30 10 HDEE CCON(C1CNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501290 VLQYYOOLLCXHFF-UHFFFAOYSA-N 402.347 1.102 30 10 HDEE COC[C@@H]1CC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501368 WGQDXCKURMDJNF-JSGCOSHPSA-N 401.359 1.892 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N(C)[C@@H](C)CS(C)(=O)=O 2282578339 QJFRBFDTBGXUNN-NSHDSACASA-N 401.359 1.861 30 10 HDEE C[C@H](N)[C@@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2282638008 HBOGDIGQQCYHJF-JQWIXIFHSA-N 400.737 1.889 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H]1CN(C)C 2282833945 NAWYUDSDGXZYHQ-ZDUSSCGKSA-N 400.375 1.680 30 10 HDEE COCCN(C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282866716 NXIAUWONHWXXBW-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC[C@H]3C3OCCO3)c(O)cc2O)OC1(C)C 2282985659 GKDDZTUWSZRBIS-AWEZNQCLSA-N 405.256 1.375 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H]1C(=O)O 2284403016 QIYHLCIWWIILGB-NSHDSACASA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(C)CCC[C@H]3O)c2)OC1(C)C 2286911594 ZGOGWCDSIKNJRV-DYVFJYSZSA-N 401.359 1.877 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@H](C(=O)O)C(C)(C)S)C[C@@H]2OCCC[C@H]21 2288367945 YTHUIPCPEKHDCC-QPSSLKIMSA-N 402.513 1.727 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCC1 2342073783 GVCPCXFAWIDHQB-RXVVDRJESA-N 420.531 1.448 30 10 HDEE COC1(C#C[C@@H](N)[C@@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363607635 CSALGXGYCCYQIN-CVEARBPZSA-N 400.541 1.604 30 10 HDEE C#CCCCOC(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2363624137 RQIZUDXIDIUZCV-MHZLTWQESA-N 402.517 1.949 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)C[C@H]3CCCCO3)s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c2cccc(F)c2I)CC1 2367847626 UNQDDDRFDFGRRM-NSHDSACASA-N 408.236 1.515 30 10 HDEE CN[C@@H](C#C[C@H](OC)C1CCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369626417 QNESHUVEZRCGRH-BBWFWOEESA-N 402.557 1.721 30 10 HDEE C=CCNC(=O)COC(=O)/C=C\c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1Cl 34805769 XZWCEVZLEXQXIV-RXNFCKPNSA-N 401.872 1.063 30 10 HDEE CCOC(=O)N1CCN(/C(=N\c2cccc(C(=O)O)c2)NC[C@H]2CCCO2)CC1 65304924 DRSZDNJQADVALF-QGZVFWFLSA-N 404.467 1.915 30 10 HDEE COC(=O)N1CC2(CC2)C[C@H](C(=O)NO)[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 85475179 DJXMSZSZEIKLQZ-DLBZAZTESA-N 416.478 1.078 30 10 HDEE in-vitro CC1(C)Cc2cccc(OCC#CCNC(=O)C3CCN(S(C)(=O)=O)CC3)c2O1 90733465 PCLOPRUFMSICTN-UHFFFAOYSA-N 420.531 1.570 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)C2CC2)cc1 108734625 MMJQAJCVJFNWMP-VPMFXMNOSA-N 418.519 1.839 30 10 HDEE C[C@@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)n1cnc(C#N)n1 409973500 FPGAMPRJVGOJNX-VIFPVBQESA-N 400.390 1.320 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@]2(C1)NC(=O)NC2=O 434798227 YJMNKJHVGOOEGW-ODXCJYRJSA-N 415.519 1.890 30 10 HDEE CCOC(=O)[C@]1(COC)CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 439374277 DJSUEMXKZUECBM-HXUWFJFHSA-N 412.450 1.963 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCC2)c1 448371038 BXBXCHKKDXBAAN-UHFFFAOYSA-N 409.508 1.891 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1ccnc(N2CCN(C)CC2)c1 461734473 DJHIRJBBWUPCAX-UHFFFAOYSA-N 402.462 1.847 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3ncccc3C#N)CC2)n1 468870186 FRNWWUDJEKHGPQ-UHFFFAOYSA-N 414.491 1.661 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncccc1F 469522939 ANWBAFMMCLQUNF-AWEZNQCLSA-N 402.451 1.729 30 10 HDEE COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 469880267 KTUQLADMHPWVLR-PVAVHDDUSA-N 405.476 1.292 30 10 HDEE CC1(C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@]2(CCOC2)O1 478388490 FGAMTWOUNVBHQQ-IBGZPJMESA-N 407.492 1.289 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N(C)CC(=O)Nc1cccc(F)c1 479822065 IPNWIAVVTVGPGX-CYBMUJFWSA-N 418.450 1.461 30 10 HDEE C=CCN(CCc1ccccc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 480534959 YIZLJYQBDOABBP-UHFFFAOYSA-N 400.566 1.719 30 10 HDEE COCCN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@H]1CCOC1 490027655 BFDUHFRGMGNJFO-PMACEKPBSA-N 404.486 1.272 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nn(Cc3ccccc3)c(=O)c3ccccc23)CC1 503607012 BXCZQXSHNOJRMW-UHFFFAOYSA-N 415.453 1.643 30 10 HDEE CNS(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)c2ccc(Br)cc2)CC1 505259388 HEHOPNXVDZALMI-AWEZNQCLSA-N 415.313 1.306 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC(=O)OC)CC1 508728440 CZNXANVXNWHALB-UHFFFAOYSA-N 409.450 1.075 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 513727504 KVRKAJPRAKOKSO-GOSISDBHSA-N 406.442 1.084 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCc2c(C)nn(-c3ccccc3)c2C)CC1 532894201 KXPIDVRLBZAZQG-UHFFFAOYSA-N 424.549 1.025 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sccc2C#N)c1 535891736 HRGCGTYHWAKIFE-UHFFFAOYSA-N 420.516 1.959 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)CC1 537404708 CCJYPBZKSHLHAI-UHFFFAOYSA-N 422.445 1.660 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cccs3)CC2)n1 546874896 NYGHULYFPHKJCY-GOSISDBHSA-N 409.515 1.897 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cnn(CC(=O)NC4CCCC4)c3)CC2)n1 546903162 AZUZNIZWEWGEBP-UHFFFAOYSA-N 407.478 1.171 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 553540013 BONVQZPRXZGDKC-VNHYZAJKSA-N 404.442 1.096 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 558671260 VRUHNAIASFZJCE-UHFFFAOYSA-N 407.434 1.447 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 572684908 YLTFLTPWGMHPND-HNNXBMFYSA-N 413.544 1.192 30 10 HDEE CN1NOC(=O)/C1=C/C(=NC(=O)c1ccccc1)C(=O)N1CCc2ccccc2C1 585673326 ARZVUPOCWDUZSG-QGXYQYIDSA-N 404.426 1.645 30 10 HDEE Cc1occc1C(=O)NC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862429 WLEPEBYUPLXGNY-UHFFFAOYSA-N 412.421 1.636 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CCOc2ccc(C#N)cc2)CC1 609040780 YYYDYKBZJCPMNK-UHFFFAOYSA-N 400.504 1.667 30 10 HDEE COCCN1C(=O)CCc2cc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)ccc21 614611707 VKOGGTYBXIOOPQ-UHFFFAOYSA-N 424.432 1.878 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C#N)C3CC3)c2)CC1 731203872 ZJOIPPFPVBYAEI-QGZVFWFLSA-N 410.927 1.698 30 10 HDEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665263 XJWZOJAXQUORLB-OAHLLOKOSA-N 412.519 1.641 30 10 HDEE COc1ccc(CCN2C(=O)C[C@@H](N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cc1OC 732670020 UVVRDHZVSAAWCQ-QZTJIDSGSA-N 412.490 1.046 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc4c(c3)OCO4)c2=O)cn1 735294674 DBTFIDJMKQNVJB-UHFFFAOYSA-N 405.439 1.261 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)c3cc(OC)cc(OC)c3)cc2C1=O 735697655 YPKIRLXDSLFRCT-IBGZPJMESA-N 410.426 1.949 30 10 HDEE N#Cc1cc(NC(=O)Cn2cnc3ccccc3c2=O)ccc1N1CCC(O)CC1 743732655 HGAHKDRXDDUGAI-UHFFFAOYSA-N 403.442 1.868 30 10 HDEE N#Cc1cc(COC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)ccn1 747037055 DJRCBCICZJOFJB-UHFFFAOYSA-N 421.500 1.765 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@H](C)OC(=O)c2cc(C#N)cn2C)c1 751733811 INWNXXQVWWUZMD-NSHDSACASA-N 413.386 1.654 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)c(Cl)n3)cc2)CC1 752998587 FRIMXGZFYGIBSK-UHFFFAOYSA-N 419.894 1.795 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc(C)c(Br)s1 754431889 MYKWZQQKTVAKAL-SECBINFHSA-N 413.340 1.025 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccccc1)c1nc[nH]n1 756089420 OZKXISCWMFNPNB-QGZVFWFLSA-N 410.459 1.139 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1ccccc1 756685772 HLLZXKJACFAYGM-UREIQIGKSA-N 414.462 1.047 30 10 HDEE Cc1oc2ccccc2c1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 758040531 VZORILBIVMESRL-UHFFFAOYSA-N 420.494 1.323 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@H]1COc2ccccc2O1 765659575 UQJTUGYQNWEWME-ZDUSSCGKSA-N 401.444 1.071 30 10 HDEE C[C@@H]1C(=NNc2ccc(S(=O)(=O)NC3CC3)cn2)CC(=O)N1C(=O)OC(C)(C)C 766432809 BTTJNHGLHOQCRR-LLVKDONJSA-N 423.495 1.846 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(F)cc1Br 769847836 CXKYRWMRYYSWMA-CQSZACIVSA-N 421.244 1.678 30 10 HDEE C#CCN(C(=O)Nc1cccc(C[S@](=O)CCOC)c1)[C@H]1CCS(=O)(=O)C1 774047553 GZSLJLSVBHZLOU-MRDQGFSESA-N 412.533 1.236 30 10 HDEE COc1ccc(Cn2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)n2)cc1 778611052 AACWKTNRPVLBET-KRWDZBQOSA-N 408.462 1.077 30 10 HDEE CC(C)(C)OC(=O)N1CCc2[nH]nc(C(=O)OCC(=O)N[C@](C)(C#N)C3CC3)c2C1 782416649 HRNFMNVMGSFEMT-HXUWFJFHSA-N 417.466 1.668 30 10 HDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)n1 786250966 VSAOFCCSADXJLC-SFHVURJKSA-N 412.512 1.826 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C(=C/c2ccc(F)cc2)n2nnnc2C)n1 790105797 ZNJBAJGWNQJZAO-ZHZULCJRSA-N 423.452 1.624 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(F)c(Br)cc2Cl)CC1 793413320 GXPSIAQLWUEROH-UHFFFAOYSA-N 416.678 1.749 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2nccn(C)c2=O)CC1)c1ccc(Cl)cc1F 805777851 NGLNKJYTCJVHRN-MRXNPFEDSA-N 403.845 1.779 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)c1ccc(F)cc1 812875224 OZJKQTGZPGXRFZ-IBGZPJMESA-N 419.478 1.924 30 10 HDEE N#CC1(CC(=O)NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])CC1 816051950 KYHFHPFDCMOKAC-UHFFFAOYSA-N 406.189 1.995 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 816716021 TUIUMWGQGGSBIW-UHFFFAOYSA-N 410.477 1.134 30 10 HDEE Cc1ccccc1N=C1S[C@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCS(=O)(=O)C1 914539556 FNKGJYWLSNLIHA-GDBMZVCRSA-N 421.544 1.782 30 10 HDEE CC(C)(C)N1CC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1131096243 SWPHIGWMQFFIBJ-GOSISDBHSA-N 418.563 1.948 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)s1 1137062251 XSMSJYWFBWHTBA-SNVBAGLBSA-N 400.913 1.601 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNC(=O)c1ccccc1I 1141168160 KIHSNILCBNUYTB-KGLIPLIRSA-N 414.243 1.871 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 1142655542 INSYRTBEDZECGQ-XIRDDKMYSA-N 405.520 1.991 30 10 HDEE COC(=O)c1ccc(F)c2c1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)CC2 1147453165 XFQYOETYEIQLCF-VHEBQXMUSA-N 401.394 1.414 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N(CC2CC2)[C@@H](C(N)=O)C2CC2)cc1 1152175012 KGOKYCBNBUATJF-GOSISDBHSA-N 403.504 1.880 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)C2)nc1 1156247134 GOVDLQCNGNHBFW-HNNXBMFYSA-N 405.418 1.250 30 10 HDEE C#CCOc1ccc(NC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1 1160782345 JULGHOSNPZIPPI-UHFFFAOYSA-N 407.430 1.641 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@@H](CC(N)=O)C2)n(C2CCCCC2)c1C 1175078720 DLPZCAUQWLZDJE-KRWDZBQOSA-N 401.511 1.997 30 10 HDEE CCOC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1177474883 GODVTXPXOYGGFO-HOTGVXAUSA-N 423.491 1.028 30 10 HDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1180122795 IXQPYAMDEDMMIH-KGLIPLIRSA-N 407.492 1.353 30 10 HDEE COC(=O)[C@]1(N2CCN([C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)CCOC1 1196275860 QRDYLKPKCZGLCV-KNQAVFIVSA-N 412.490 1.003 30 10 HDEE C=CCn1ncc2ccc(NC(=O)Nc3ccn(CC(=O)N4CCOCC4)n3)cc21 1209768286 UFLJWCXKCWIKSQ-UHFFFAOYSA-N 409.450 1.922 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1)C(=O)OC 1211664189 GIIVGZXRXXMTEF-ZDUSSCGKSA-N 406.844 1.541 30 10 HDEE C#CC[C@H]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1227404370 WDYUKKGFVIDSRP-KRWDZBQOSA-N 404.536 1.178 30 10 HDEE C#C[C@H](NC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)C1CCOCC1 1253349237 ZVDHYBFEBIVVAQ-BQGMYUGNSA-N 414.487 1.846 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1266191224 WZFANUAKETZDBJ-HNNXBMFYSA-N 413.503 1.422 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1286291695 FDJBIVWZGRKTMZ-LPHOPBHVSA-N 403.490 1.980 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@@H]2CCCN(C(C)=O)C2)c1 1286309569 RZPLHFUMMUNXPU-LJQANCHMSA-N 408.506 1.901 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(C)cc1N1CCOCC1 1286370968 WWJCLXLIEMFNDV-UHFFFAOYSA-N 403.490 1.998 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@@H]2CCOC2)cn1 1286379550 WLLHLFLRNKNEHU-GOSISDBHSA-N 408.510 1.610 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCO[C@@H]1C 1286574133 UTCJZLWFAZGETM-JLTOFOAXSA-N 403.483 1.948 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCCCC2)CC1 1286645261 ADKLYGMZJOFKDY-QGZVFWFLSA-N 421.567 1.739 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1286823714 PXSJEZYWLUQLLS-UHFFFAOYSA-N 408.572 1.784 30 10 HDEE C=CCSCCn1c(CC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286832607 WTYFGRYYKXUNRE-WMZOPIPTSA-N 406.600 1.749 30 10 HDEE N#C[C@@H](NC(=O)COc1ccc(S(N)(=O)=O)cc1)c1ccc(Br)cc1 1290676345 QYKDMFKAHVDVNB-OAHLLOKOSA-N 424.276 1.856 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1291871875 NPRVREARNFWFKH-INIZCTEOSA-N 414.243 1.513 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)c3ccc(C#N)cc3OC)C2)cc1 1295847101 AZFCBPBEHIRVAI-UHFFFAOYSA-N 401.444 1.378 30 10 HDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccnc(C#N)c1 1297365410 HHNJPIRRQMUEPT-WMLDXEAASA-N 401.511 1.795 30 10 HDEE CC[C@](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)(C(=O)OC)c1ccccc1 1297711946 GHNJNANEDIBBHO-HXUWFJFHSA-N 415.471 1.431 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(O)C1=O 1298541909 OFRLECSJYLUCFD-IAGOWNOFSA-N 420.510 1.508 30 10 HDEE C#CCN(C(=O)CCCCN(C)C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299463995 JBVFALSHIAMFOQ-JRHPMUGDSA-N 401.551 1.595 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1300293828 SKGVLAYGEDMXPX-HNNXBMFYSA-N 401.492 1.336 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1300693296 WKZQYRKEVPEIAA-INIZCTEOSA-N 417.510 1.274 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(=O)OC)CC2)nnc1[C@]1(OCC)CCOC1 1301001337 HKXASMFAGQVWSD-NRFANRHFSA-N 422.526 1.912 30 10 HDEE C=CCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@]1(OCC)CCOC1 1301474049 RYTRPOSBKMBJCD-GUYCJALGSA-N 417.432 1.621 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1301491981 UBHUFCINVKGPMU-IRXDYDNUSA-N 410.522 1.929 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(C)C)CC1 1301501299 UXXZSXVNROWTMZ-INIZCTEOSA-N 409.556 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(=O)NC(C)C)C1 1301543593 NAPRWHGHCSCWGR-DYESRHJHSA-N 421.542 1.625 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCCC2(C)C)C1 1301554366 FKUSTLCGCUFNJO-ZOCZFRKYSA-N 403.527 1.952 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CCCC3)n2CCCn2cc(CO)nn2)C1 1301554587 IZSSQSQRXGLORH-GOSISDBHSA-N 401.515 1.891 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1301556436 HMYSLTGBCNRFAW-HZPDHXFCSA-N 410.540 1.267 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc21 1301967959 ICPYTJKMECYFCW-OAGGEKHMSA-N 415.519 1.952 30 10 HDEE CC(C)NC(=O)CCn1c(N(C)[C@@H](C)CC#N)nnc1[C@]1(OC(C)C)CCOC1 1303432690 SIENBJISGBVPDW-JXFKEZNVSA-N 406.531 1.972 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1303505516 YDCUFKNAGNCQLT-IOMROCGXSA-N 419.526 1.864 30 10 HDEE COc1cc(N)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(C)(=O)=O 1304491519 ZPRGYGHQXNFJAQ-UHFFFAOYSA-N 406.489 1.395 30 10 HDEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1305379621 DBQZFZYUYSZOGD-QRWLVFNGSA-N 417.535 1.849 30 10 HDEE CCOC(OCC)[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1306069549 QGEPIPZTWSHCIG-CJNGLKHVSA-N 402.451 1.667 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCC2(CC1)CC(=O)C=CO2 1312579689 YWOWOJOBFHQKIJ-INIZCTEOSA-N 421.519 1.791 30 10 HDEE COCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1316032627 HVKCLYRITJBODR-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE C[C@@H](CONC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)NC(=O)OC(C)(C)C 1320886536 LAYYGVODISACCU-ZFWWWQNUSA-N 402.451 1.872 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(NC(=O)c2ccsc2)CC1 1322733844 FALGQJFIEJELQC-FBMGVBCBSA-N 417.491 1.178 30 10 HDEE CCCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1352019155 MRYVICCBUXJZMQ-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@]2(O)CCOC2)c1 1358901654 RUXFKNUOKNQZQI-KSFYIVLOSA-N 411.506 1.999 30 10 HDEE C#CCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1358907023 AMCDABBPKZGHLL-FQEVSTJZSA-N 406.490 1.962 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1358908519 ZZHODFAZCWWJKP-KDURUIRLSA-N 422.493 1.574 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1358951667 GSBJJGSROSTESO-IBGZPJMESA-N 415.563 1.804 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCNS(C)(=O)=O 1358970006 CBNKYNWVWNUPSL-OAHLLOKOSA-N 419.482 1.179 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C2CC2)C1=O 1358971794 JAQQNQNEHPHQPE-QFIPXVFZSA-N 418.457 1.937 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCCCC 1358977712 UHKCQVJXXBQUAB-GOSISDBHSA-N 406.490 1.924 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2ccc(OC)c(F)c2)CC1 1359036533 YTDCDZVCBPRBHN-GOSISDBHSA-N 413.497 1.928 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(C)Cc2ccccc2)CC1 1359045348 DEIQOAQJTQCCKR-UHFFFAOYSA-N 408.550 1.938 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1359070836 WHJGMHCALBTAPB-YLJYHZDGSA-N 416.551 1.539 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](OCCC)CC1 1359291073 DAXMPMWYUAXJQF-QGZVFWFLSA-N 418.542 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCO[C@H](COC)C1 1359297001 BATQGFSPCPDJPP-AWEZNQCLSA-N 405.886 1.752 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)CC)C1 1359324968 VMTVLOHPCOOXQJ-IBGZPJMESA-N 424.505 1.988 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1359476385 CXOKDXZYQWSFQN-MRXNPFEDSA-N 415.542 1.835 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCN(C)C1 1360477769 ASZSWBLHIDZPKN-XOBRGWDASA-N 404.465 1.952 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 1435068116 DMSJVMFSKNCCEH-ZBFHGGJFSA-N 419.890 1.213 30 10 HDEE COc1ccccc1OCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1 1439799372 ZEAYDFQINSAHFK-VBKZILBWSA-N 416.455 1.878 30 10 HDEE Cn1cc(CCC(=O)N2CCN([C@@H](C#N)c3ccc(Br)cc3)CC2)nn1 1443672791 WXNIEZVDQWJNPM-KRWDZBQOSA-N 417.311 1.919 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CCCS(=O)(=O)N2CCCC2)c1N 1449226333 GTMRINOEWWYCHK-UHFFFAOYSA-N 402.480 1.470 30 10 HDEE C#CC[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O)C(=O)OC 1451178365 JDAUKACGVOUTIX-CYBMUJFWSA-N 407.348 1.854 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CC(c3ncc(Br)cn3)C2)cc1 1455062011 YWPNZZXCHFYJCV-UHFFFAOYSA-N 400.236 1.467 30 10 HDEE COC(=O)[C@]1(O)CCN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)C1 1455195700 ZZTRTYDFWOYEQY-FQEVSTJZSA-N 405.882 1.955 30 10 HDEE COC(=O)[C@@H](C)NC(=O)c1ccc(F)cc1NC(=O)c1cnn(CCC#N)c1C 1458068857 MWKZABOAAJSKMN-LLVKDONJSA-N 401.398 1.788 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(Cc4cc(C#N)ccn4)C3)[C@@H]2C1 1460680063 VDRREEWVDAJKMF-KSZLIROESA-N 413.478 1.968 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)NCC3(C#N)CCC3)c(Br)cc21 1463901765 CFPQNUCSYKVMBQ-UHFFFAOYSA-N 413.297 1.612 30 10 HDEE C#CCn1cc(CNC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)cn1 1467724477 DKTCCRLYYAHLHA-HJWRWDBZSA-N 407.474 1.046 30 10 HDEE CN(C)CCCCNS(=O)(=O)c1cccc(NC(=O)[C@]2(C#N)CCCOC2)c1 1467972632 BLVXKLJKPSSQMA-IBGZPJMESA-N 408.524 1.566 30 10 HDEE O=C1C[C@H](CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CN1 1470516620 FBWGYMSATSNNAW-FXQIFTODSA-N 409.277 1.935 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](CCC3OCCO3)C(=O)OC)n[nH]2)c1C 1471373740 NAFPANJSKCHELV-AWEZNQCLSA-N 417.466 1.501 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H](O)Cc3ccc(F)cc3)C2=O)cc1 1471900759 SGUXSLQGAROLMB-OALUTQOASA-N 424.432 1.622 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOCC1 1473104596 UBIAEXWNPRISPM-CQSZACIVSA-N 408.480 1.485 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN2CCN(c3ccc(C#N)cc3)CC2)c1 1473725267 FHHBHBBOPRAVDS-UHFFFAOYSA-N 421.501 1.786 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 1475787152 VXVCJGXIXUPQJR-SHTZXODSSA-N 409.508 1.936 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1C1CC1 1478786090 JNGKUPZPISMDBE-INIZCTEOSA-N 405.449 1.683 30 10 HDEE Cc1nnc(N2CCC([C@H]3CCOC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1492802012 CZTDWFIUCDSGMY-RUNIHZNKSA-N 400.483 1.366 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1493168351 DDPGRJPXGCIDKD-IVZQSRNASA-N 420.473 1.984 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOCC1CCOCC1 1503670763 ZELVUHGZVKSPIZ-GOSISDBHSA-N 414.510 1.846 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507573498 GYVRMSVQHLFQJP-SFHVURJKSA-N 402.543 1.361 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1507632684 PBUPGWUVCASIJD-KBPBESRZSA-N 402.467 1.454 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1507634875 QQXBDSZJQPGTRY-HNNXBMFYSA-N 407.565 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)C(C)(C)C 1507659484 YAOYFBYBYOSHOR-IRXDYDNUSA-N 422.551 1.288 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCC(O)CC2)CC1 1507894526 FOQQBBSHGWTSSO-UHFFFAOYSA-N 404.559 1.666 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1508042483 LIBHJWAQOYTKFR-ZBFHGGJFSA-N 414.897 1.762 30 10 HDEE CC1(C)COCCN1CCn1c([C@H]2CCCCO2)nnc1N1CCO[C@H](C#N)C1 1510340520 BXJXDIRHASYEPO-IAGOWNOFSA-N 404.515 1.359 30 10 HDEE CCN(CCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1515720016 VRRPBGXKPXMHRD-CVEARBPZSA-N 412.560 1.582 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1517668548 DARFJXNJPXMCDK-ZFDMEJTGSA-N 414.466 1.071 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@@H]2CCCO2)c1 1521083421 WDPXOFDXKQGYAR-SFHVURJKSA-N 410.478 1.339 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3nn(C)c(C)c3C#N)C2)cc1 1526702956 WLYZAFGWEAUQRC-HNNXBMFYSA-N 401.492 1.948 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N 1529175452 KQESWGLXTOKQBI-CQSZACIVSA-N 408.252 1.143 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)C(=O)OCC 1531937192 ULFIODNWKIHWJY-LBPRGKRZSA-N 420.871 1.105 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(N4CCNC4=O)cc3)CC2=O)cc1 1533559148 CCMKMXKEGVGYDJ-QGZVFWFLSA-N 403.442 1.757 30 10 HDEE Cc1nc(NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)sc1SCC#N 1534069233 AMYZHUKPPHDQAI-KGLIPLIRSA-N 403.489 1.999 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1sccc1S(=O)(=O)N1CCSCC1 1535780092 DGGYHFYMHOBNOR-UHFFFAOYSA-N 417.534 1.014 30 10 HDEE N#Cc1cccc([C@H](NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)c1 1536467986 USHCDPYOQUWRFM-ZLVKTETGSA-N 421.375 1.830 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1539014600 RRIVADBFZPLNEN-SJLPKXTDSA-N 411.506 1.755 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1539132992 SZDICNNYRWYBNA-UONOGXRCSA-N 415.475 1.797 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CCC(OC)CC1 1539421646 UWQACSJKFBVNEY-UHFFFAOYSA-N 403.527 1.692 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1539430271 IEKDBCTUTQPYGM-VQTJNVASSA-N 401.603 1.573 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1539557296 PSTUGXYSVRQPMZ-BOYOMHKPSA-N 407.540 1.569 30 10 HDEE C=CCCCn1c(C2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1539999567 MZHSZDSEKKNSFG-UHFFFAOYSA-N 406.512 1.762 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CCOCC2)C1 1540881456 JSSGJQRIEKWBQS-MSOLQXFVSA-N 418.542 1.016 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCN1CCCC1 1541678906 LVTXNXOKRNYDNE-KRWDZBQOSA-N 403.531 1.411 30 10 HDEE C[C@@](O)(Cn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1)C1CC1 1541958468 GUWVIVRAMOAZAC-FOIQADDNSA-N 401.442 1.886 30 10 HDEE CC1=C(C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1542043828 JIQVVCIBZARLKZ-IGGDJGDASA-N 412.494 1.855 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCOCC1(C)C 1546532255 FLYYCOCCFKMILQ-UHFFFAOYSA-N 424.553 1.545 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2cccn2C)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367775 MWJIPOJMGLVHAW-QGZVFWFLSA-N 419.407 1.993 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)n1 1558397967 VJSHRLGJTFCAFL-INIZCTEOSA-N 406.446 1.064 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1nn(C)cc1O 1558682836 NDWXBVZAMZJSJQ-OCCSQVGLSA-N 419.507 1.600 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cc3cnc[nH]3)CC2)s1 1558853140 NULWQYIMNHRTKP-UHFFFAOYSA-N 408.549 1.959 30 10 HDEE C#CCC1(O)CCN(CC(=O)N(c2ccc(C)c(C)c2)[C@@H]2C=CS(=O)(=O)C2)CC1 1560098450 IIRYRJRMQYAJGE-HXUWFJFHSA-N 416.543 1.797 30 10 HDEE C#Cc1cccc(CNC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1 1563966601 KYNMGLCIWBUUDP-UHFFFAOYSA-N 401.488 1.280 30 10 HDEE N#Cc1ncn(CCNC(=O)NCc2ccn(-c3ccc(Br)cc3)n2)n1 1564723572 BQZOYWLZPSLBDX-UHFFFAOYSA-N 415.255 1.597 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1565195627 DIPGPCKXELWZMT-DFQSSKMNSA-N 403.548 1.586 30 10 HDEE C#CCN(C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)[C@H]1CCS(=O)(=O)C1 1565369377 NMEYWZCSQIBUJC-INIZCTEOSA-N 422.507 1.761 30 10 HDEE O=C(Cc1cccnc1)Nc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1565629774 IDWMLBNWCJCHQW-XDOYNYLZSA-N 419.441 1.519 30 10 HDEE N#Cc1cccc(-c2cc(C(=O)N3CCC(NC(=O)N4CCOCC4)CC3)on2)c1 1570542939 CFSIPOVTWJIRDP-UHFFFAOYSA-N 409.446 1.860 30 10 HDEE C[C@@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1584216047 APRCMGRFNNTWPI-NRFANRHFSA-N 423.404 1.571 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](CC(=O)OC)C(C)(C)C)ccc1F 1585224114 MLDCCRZDHHGHKQ-HNNXBMFYSA-N 400.472 1.998 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCc3c(CC#N)cccc3C2)c1 1586614110 FREUIGARGRXVHM-UHFFFAOYSA-N 411.483 1.818 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cc1OC 1586967939 UTAGKWADSSVXBV-VQHVLOKHSA-N 415.490 1.470 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(F)cc1)C(=O)OCC 1587285384 CRYQDTWNYGRHDO-AWEZNQCLSA-N 406.863 1.685 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOC1 1587882821 JCBPQUHSGCAHHA-QGZVFWFLSA-N 408.252 1.205 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1587915111 CSNRWBBCMBNSAO-HNNXBMFYSA-N 401.442 1.485 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1588024649 IJKOQHVORPLPSW-PMPSAXMXSA-N 415.460 1.956 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1588166140 HDNOSCKISBYXCP-QGZVFWFLSA-N 403.504 1.025 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588385182 FZCOXOVAURXBSF-OAHLLOKOSA-N 405.499 1.535 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1593908722 OQILUAMHNUUSPK-GDBMZVCRSA-N 408.934 1.310 30 10 HDEE Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1C#N 1595157357 GHBYZELYDSOITQ-KRWDZBQOSA-N 415.519 1.924 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1595871606 VHVISTJVJYOOFO-QGZVFWFLSA-N 404.584 1.818 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1595896334 XNTZGKYNKLGHCL-DLBZAZTESA-N 421.567 1.704 30 10 HDEE Cc1nnc(N2CCCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612590734 DOJVGIWHONTVHP-FMQUCBEESA-N 413.526 1.568 30 10 HDEE CC[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1613641047 HZPPAWUHNJXRHD-ZWKOTPCHSA-N 411.510 1.800 30 10 HDEE COC(=O)[C@@H]1CN2CCC(CC2)N1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1614686018 XLKGHSIWGZAGDO-IBGZPJMESA-N 400.328 1.807 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1618008639 ZRFIGDGMOJSPBN-HNNXBMFYSA-N 420.491 1.415 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCC1 1618379052 WSWIMIJLZDICHS-ZDUSSCGKSA-N 421.299 1.690 30 10 HDEE Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OCC1CCOCC1 1618466900 IFEVJDGNQVFORY-UHFFFAOYSA-N 412.446 1.963 30 10 HDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618732230 RTPNBZKPVQVRKM-MRXNPFEDSA-N 401.444 1.394 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1cnn(C)c1 1620111512 WSBPOTSOHYVNRG-BZSNNMDCSA-N 415.498 1.097 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)C[C@H]1c1ccccc1 1620359333 WXKRDFVRMWYGIT-QYZOEREBSA-N 424.505 1.372 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1622226971 JASBZTYUVVPUQA-INIZCTEOSA-N 412.533 1.192 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N=[S@@](=O)(c1ccccc1)N(C)C 1622325244 PHTSNMSDCFNEND-SANMLTNESA-N 415.537 1.512 30 10 HDEE O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)N[C@H]1CCN(O)C1=O 1624906914 XUKRCLNVWKZWGT-AWEZNQCLSA-N 413.459 1.785 30 10 HDEE C#CCN(C(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C1CCN(C)CC1 1626637909 YGVQAUCQQIUCHY-UHFFFAOYSA-N 418.291 1.601 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1627137392 XVGGHEKILFEAOW-OXJNMPFZSA-N 419.503 1.722 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)C2)c1 1630765734 INIYYZDRJGDIEN-TZIWHRDSSA-N 422.460 1.525 30 10 HDEE C#CCN1CCN(C(=O)C2([C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1631504061 SGDPAWHFLAGUMJ-QFIPXVFZSA-N 405.539 1.696 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@@H]1CCN(C(N)=O)C1 1632807311 UEEPFWPIYJFRFD-WBVHZDCISA-N 413.478 1.662 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C[C@H]2C(=O)Nc3ccc(Br)cc32)CC1 1635737304 KWLAONMMQJMZHC-CYBMUJFWSA-N 405.252 1.459 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)c1ccccc1 1636976230 SEYUZZWDDFBXNI-LSXCKUSFSA-N 410.517 1.262 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1637667788 KMDWIPCIDIWFDQ-LSDHHAIUSA-N 406.508 1.435 30 10 HDEE CN(C)S(=O)(=O)c1ccc(Cn2cc(C#N)c(I)n2)s1 1641226036 JPLXMQDUSISVNW-UHFFFAOYSA-N 422.273 1.719 30 10 HDEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 1643409645 OOGSZJQLEIYUGF-IAGOWNOFSA-N 421.563 1.657 30 10 HDEE CON(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)OC(C)(C)C 1643862979 NCQVMWNEDOGGNG-GFCCVEGCSA-N 411.480 1.235 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1644428187 AKSLQXGLUCQFQS-IRXDYDNUSA-N 420.531 1.475 30 10 HDEE CN(C)Cc1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)co1 1645496454 CAFBNXALJZGAIF-ZDUSSCGKSA-N 401.854 1.931 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1645737823 LZZLZDLNTLUZGQ-KRWDZBQOSA-N 423.510 1.516 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(OC)cc3)c2)C1 1648355401 HCZLHYHHTMEFAK-UHFFFAOYSA-N 400.456 1.625 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 1653017338 XKIABETWPHOYKY-LJQANCHMSA-N 414.572 1.109 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 1657035769 ZNLAZYXSRMMYMJ-UHFFFAOYSA-N 400.522 1.219 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCOC[C@H]2c2ccnn2C)cc1 1658320830 OAAYCDXXMCNXEO-SFHVURJKSA-N 419.507 1.832 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1660652315 WCXMXFBVXAXJSR-INMHGKMJSA-N 418.437 1.739 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1663918643 FLEMUJHBWFMQSX-UONOGXRCSA-N 401.410 1.784 30 10 HDEE C=CCCS(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1666236901 AMPQTLRYVMMAKB-CQSZACIVSA-N 402.513 1.815 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 1666340498 SXSWSJGJCGXFDF-UHFFFAOYSA-N 414.325 1.266 30 10 HDEE COC(=O)CCCS(=O)(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1670211038 FIBRMSPJCCPGJM-UHFFFAOYSA-N 417.491 1.353 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1674442686 CBJVXINXPYLAHK-LPHOPBHVSA-N 402.495 1.694 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1675524136 XNZRUPHPHSEDSF-AEFFLSMTSA-N 407.536 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2C(=O)NCC(=O)NCC#N)C1 1680958413 XANIDUDOMBVFMR-CVEARBPZSA-N 407.515 1.837 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N[C@@H]2CCCN3CCSC[C@H]23)C1 1681228447 ZCKNBHWGEZFKQK-ZJIFWQFVSA-N 409.556 1.624 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O 1681288388 XTNAATOITKEGFO-DYVFJYSZSA-N 401.492 1.724 30 10 HDEE Cn1nnnc1C1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1683536610 JICQOUZQJXFCOO-UHFFFAOYSA-N 408.510 1.635 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689877091 PVZWVLXWEGUESS-XLIONFOSSA-N 424.567 1.821 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CCC 1689929907 GUHONLCLSAGLID-SJORKVTESA-N 411.572 1.897 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc2[nH]ccc2c1 1689945640 GUWPTLNBUMOZQX-AWEZNQCLSA-N 400.508 1.682 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccc(CS(C)(=O)=O)c1 1690011560 UQBIMQFXSJWQPT-UHFFFAOYSA-N 421.526 1.949 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCC(=O)NC1CC1 1690031658 SSTPQPRVNRVOBR-UHFFFAOYSA-N 419.489 1.447 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)N2CCC[C@@H](C)C2)CC1 1690148375 FFNDDLOGIJCLNN-MSOLQXFVSA-N 400.571 1.927 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H]1C 1690206408 QKLQESCLTFWLBX-MBOZVWFJSA-N 405.568 1.657 30 10 HDEE C=CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1690482042 XKJXMUCJRANDNF-OAHLLOKOSA-N 405.462 1.887 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(C)(=O)=O)CC1 1690742590 VHZKQGYDAVTUTG-AWEZNQCLSA-N 413.569 1.162 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1Cc1ccn(C)n1 1692547237 GVLIHJZBUUYEPS-MJGOQNOKSA-N 418.505 1.942 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)C1 1697044697 GMDFAGNYNJSINU-QGZVFWFLSA-N 415.519 1.932 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc(C2CC2)cs1 1698060751 GLWATRPLVPJFPY-AWEZNQCLSA-N 415.523 1.978 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(OC)CCOC1 1698245927 MMLHFWQHJUAZIZ-ILRDRHFLSA-N 409.462 1.250 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCN2CCOCC2)C[C@@H]1O 1698440868 SWDHTFPMKIRAPW-XLIONFOSSA-N 410.522 1.746 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCOC[C@@H]1C 1705486212 ZGLURGVPLARYAN-IRXDYDNUSA-N 421.509 1.099 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC2(CC1)CNC(=O)C2 1705522703 DSMLZNSLYCMOFP-UHFFFAOYSA-N 400.527 1.716 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(=O)N1CCOCC1 1705542769 NRSYMVYFUWILQH-HNNXBMFYSA-N 417.897 2.000 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCOC1=O 1705601207 BKFSXMHUQVCSHA-UHFFFAOYSA-N 409.494 1.445 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(C)cn2)CC1 1705636292 FEMDIRKIPAYMRI-UHFFFAOYSA-N 410.913 1.954 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC)CC1 1705663084 VXKFKRJTGZUZDH-UHFFFAOYSA-N 400.508 1.519 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H](C)C1 1705698263 RLWLNUAYWMYEIH-VIQHNZTISA-N 411.572 1.962 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCC(OCC(N)=O)CC1 1705708473 CSPAERGLRVDYMF-DNVCBOLYSA-N 407.515 1.267 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705736759 BVCGRRPNUKRPQN-UXHICEINSA-N 418.586 1.591 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705746177 RCUSZGIZXSJNHQ-ZIAGYGMSSA-N 406.936 1.768 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1705806077 WHUVWHPVQLNAPP-QGZVFWFLSA-N 418.542 1.312 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC=C(C(F)(F)F)CC1 1705907415 MEPIHCVARLMBHJ-UHFFFAOYSA-N 412.416 1.402 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1705912860 WJBGGNDIQYVFCU-MRXNPFEDSA-N 421.505 1.959 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H]2COCCO2)C1 1705927460 YVEQXZWIQDBMTM-IAGOWNOFSA-N 405.524 1.831 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@H](CC)C1 1705927917 IVGAKLXTMCCFBL-HUUCEWRRSA-N 413.544 1.021 30 10 HDEE CCOC1CC(O)(Cn2c([C@@H](C)OCCOC)nnc2N2CCC(C#N)CC2)C1 1710601657 OMTUUONHBOFJRE-XRTORIHISA-N 407.515 1.672 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1722362235 MTRXKOIBKQLQOY-ZFWWWQNUSA-N 423.926 1.655 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN(C)C(C)C 1722446563 DIHCIUVOCXTUEF-UHFFFAOYSA-N 402.499 1.432 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1722466681 CFGLPALKJUHNMJ-DVOMOZLQSA-N 417.482 1.305 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1726637048 FVHTXXZULDZVLL-INIZCTEOSA-N 404.478 1.770 30 10 HDEE CC[S@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O 1729237326 TVDNLNBTUAYPGG-MHZLTWQESA-N 423.564 1.456 30 10 HDEE CO[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1730372673 FQXVPBWEVBUHLW-DZGCQCFKSA-N 405.480 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=C)Cl)CC1 1740710289 VREOBGSDUZOTOD-IRXDYDNUSA-N 421.929 1.720 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CC(=O)NCC(F)(F)F)CC1 1740828618 RCCAIIZVITWHFW-UHFFFAOYSA-N 400.405 1.235 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1(SC)CCOCC1 1740940469 HLLIAIURYKXZIQ-OAHLLOKOSA-N 409.556 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)Cc1cnn(C)c1C 1740990292 PLSHERUSTKEYNP-UHFFFAOYSA-N 403.512 1.552 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1741797994 CFNHPVMODMXIHF-SECBINFHSA-N 405.264 1.346 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccco2)CCOC1 1746732914 CILBSYAPIGVFOL-CWFSZBLJSA-N 417.466 1.160 30 10 HDEE C#CCN(C)c1nnc(CC2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748794770 KFIYEZCDGQZVGB-UHFFFAOYSA-N 401.536 1.970 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](c1ccccc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1748804081 CPSXWRCLZGBLBC-OALUTQOASA-N 401.536 1.516 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCCS1(=O)=O 1748917188 PIRMVRAUCGEFGP-UHFFFAOYSA-N 408.915 1.489 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CC(C)(C)O)CC1 1748987673 ZYXKFFNDGVFQGM-UHFFFAOYSA-N 407.478 1.120 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCC(=O)N[C@H](C)CC)CC1 1748993852 OQQBNKKQQIIYPD-GOSISDBHSA-N 409.538 1.324 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749032957 VYUHBIUMROZUSQ-QGZVFWFLSA-N 415.567 1.786 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1749402285 LIQITCCNXCDXGU-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCCn1cc(CO)nn1 1749467265 LGIGOUHVVXEFAF-UHFFFAOYSA-N 421.303 1.832 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@]1(O)CCO[C@H]1C 1749482201 CZSRBTPTROAOSB-IFXJQAMLSA-N 420.539 1.400 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCn1ccnn1 1749484974 LVNCJNPFSJWEHA-UHFFFAOYSA-N 419.493 1.979 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C1CC1)N(C)C 1750139793 RMCMCGMFAJNYNW-PFRQMTDMSA-N 406.506 1.784 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCC(=O)NC2CCCCC2)CCO1 1750387992 GYYSPIWZPVHRAE-LJQANCHMSA-N 423.521 1.832 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC(=O)NCc2ccco2)n1 1751838418 GHLDYXWSHNNHQF-CQSZACIVSA-N 410.482 1.645 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@]1(O)CCS(=O)(=O)C1 1760221604 CUGOFOHWUQHZDE-HXUWFJFHSA-N 404.536 1.023 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@](C)(O)C(C)C)CC1 1760268711 WCEBMVSRYBBRIX-QFIPXVFZSA-N 410.522 1.713 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760282224 XVPLDXBIWBORSB-MRXNPFEDSA-N 403.552 1.597 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](COC)C1 1760306080 AUMHXBYTJIGXJI-KBPBESRZSA-N 401.305 1.932 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1760371635 GNMJTSJCVSSHSK-AWEZNQCLSA-N 413.873 1.625 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1760378955 CZKWWAHEYDUCQX-UHFFFAOYSA-N 420.949 1.102 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnccn2)CC1 1760421357 MERBTVALLVBMLN-UHFFFAOYSA-N 410.526 1.987 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(CC(F)(F)F)CC1 1760520244 HJSUMTYSJYUUEX-UHFFFAOYSA-N 411.432 1.270 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCSC2)C1 1760550013 QEGDQWZSAFYAKA-HNAYVOBHSA-N 407.540 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(C)(C#N)CC1 1760556938 UOMPMXYKMKYLRO-UHFFFAOYSA-N 414.535 1.995 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1761363218 LQSBMJRCCPLPNQ-ARFHVFGLSA-N 410.544 1.334 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc(C#N)o1 1764094182 MCAAVBUEOXYFGA-ZDUSSCGKSA-N 413.482 1.376 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1769120504 CWPLKJKQFDRSCH-CYBMUJFWSA-N 407.482 1.304 30 10 HDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1771481652 PUGRUGNQSWAVGB-SFHVURJKSA-N 414.535 1.911 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCN2CCOCC2)CCO1 1771536518 VXZWUZYXYTUXPI-MRXNPFEDSA-N 417.901 1.445 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)NCC#CCN(C(C)C)C(C)C)cc2C1 1849259990 WMGMWSKQPACQEK-UHFFFAOYSA-N 405.564 1.992 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCC#CCN1CCOCC1 1850069770 DPUZYEHHUYNWEB-KRWDZBQOSA-N 421.563 1.103 30 10 HDEE COC(=O)[C@]1(NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)CCOC1 1850616988 DJQGBKFPEHFLLG-QFIPXVFZSA-N 408.458 1.771 30 10 HDEE Cn1nc(OCC(=O)N2CCc3[nH]nc(C#N)c3C2)c2cc(Br)ccc21 1850927904 RKKQOUXBHDNZRM-UHFFFAOYSA-N 415.251 1.894 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@H](C#N)C1 1851070323 TYZCMPQTUSBNRW-HIFRSBDPSA-N 419.425 1.759 30 10 HDEE COc1cc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc(Cl)n1 1851673297 OCVUZFCASBOBQN-UHFFFAOYSA-N 411.853 1.886 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccccn4)C3=O)CC2)CC1 1853675471 HAJISAVHKFNVTG-IBGZPJMESA-N 409.490 1.297 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2ccc(C#N)cc2)C1=O 1854035696 XYPPOUOJCPCSGX-RTBURBONSA-N 417.531 1.977 30 10 HDEE C=CCCC(=O)N1CCCC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854103523 HYOUAGFCJFAYAJ-IBGZPJMESA-N 419.547 1.867 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)C(=O)C12CCCC2 1854449368 KNQWEYLYPGQBKI-IRXDYDNUSA-N 414.510 1.604 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)Cn2cnc(C3CC3)cc2=O)C(=O)C12CCCC2 1854521278 ZUJOGWDZHPZBFR-MRXNPFEDSA-N 411.506 1.797 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(CCC#N)[C@@H](C)C2=O)cc1 1856197719 WWLFTUTVYFPITQ-INIZCTEOSA-N 420.535 1.694 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cc3noc4ccccc34)C(=O)C2)cc1 1856340693 GHYXEYAPJQYNPN-UHFFFAOYSA-N 404.426 1.992 30 10 HDEE COc1ccc2sc(N3CC(C(=O)N4CC[C@@H](N(C)CCC#N)C4=O)C3)nc2c1 1856542406 JEHMJVAXUSZJFF-MRXNPFEDSA-N 413.503 1.714 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ncn3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857050281 HWEIBUAYYITXLG-AEFFLSMTSA-N 413.522 1.317 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OCC)nc2)C1)[C@H]1CCN(C)C1=O 1857284374 NPGSJKMOTHJKLW-RDJZCZTQSA-N 400.479 1.188 30 10 HDEE CC(=O)N1CCN(C(=O)c2nc(C(=O)Nc3ccccc3C#N)c3ccccn23)CC1 1858243358 YLYLCVYSCUKGPG-UHFFFAOYSA-N 416.441 1.763 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccc(C)cc2)cc1 1858964626 AYMLGMQIKXGHBO-UHFFFAOYSA-N 416.455 1.738 30 10 HDEE N#C[C@@H](c1cccs1)N1CCC(C(=O)NCc2ccc(S(N)(=O)=O)cc2)CC1 1868189554 XTFFPWGNQHSKET-KRWDZBQOSA-N 418.544 1.989 30 10 HDEE Cc1cccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870107051 PZWRZUNIRCETHY-UHFFFAOYSA-N 400.398 1.741 30 10 HDEE N#Cc1nnn(-c2ccc(I)cc2)c1NC(=O)[C@@H]1CCCO1 1870156906 HUYKNKBDQTVMNL-LBPRGKRZSA-N 409.187 1.861 30 10 HDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688435 BKKQFYWPUXVQMN-UHFFFAOYSA-N 402.499 1.673 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(OC)cc1OC 1874472143 OJEUGSGMTJOWJW-CIAFOILYSA-N 421.523 1.985 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)NCCN2CCOCC2)[C@@H]1c1ccc(C#N)cc1 1889054807 AAIRYWHBQCPFPP-PMACEKPBSA-N 416.547 1.400 30 10 HDEE C#CCCN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2113617445 APACOUBLGRHFOB-UHFFFAOYSA-N 417.531 1.424 30 10 HDEE CC1(C)OB(c2cnc(CNS(=O)(=O)CCC(F)(F)F)s2)OC1(C)C 2128947376 BCHMWNZNPKVKTN-UHFFFAOYSA-N 400.253 1.814 30 10 HDEE COCCN(C[C@@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CC1 2174778432 XAEFOSRWQWNGLZ-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H]1CNC(=O)OC(C)(C)C 2174779951 ORGJFAYSIFPWEM-GDBMZVCRSA-N 400.545 1.949 30 10 HDEE COCCN(CCNS(=O)(=O)CC1(C#N)CCOCC1)C(=O)OC(C)(C)C 2174785363 YFWGDHGSFFGVNY-UHFFFAOYSA-N 405.517 1.110 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@H]1C(F)F 2174789509 RGWRLNXKVIEBHG-CHWSQXEVSA-N 402.423 1.732 30 10 HDEE COC(=O)NS(=O)(=O)N(C)[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186586478 QUIJKYSMJLRZAY-SNVBAGLBSA-N 404.319 1.641 30 10 HDEE COCCCS(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186600542 UAYCCRQBARHVNP-LBPRGKRZSA-N 404.363 1.801 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2241668788 WKFKCJOTRCJQHX-UONOGXRCSA-N 401.504 1.800 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243406024 QTGMBONQLIMORF-TZMCWYRMSA-N 405.304 1.957 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(CC(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243675079 RLZZLXHNNRVBIU-HNNXBMFYSA-N 409.336 1.889 30 10 HDEE CO[C@@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CCN(C(=O)OC(C)(C)C)C1 2243686586 ODDBFPYEIMQFGD-FQEVSTJZSA-N 408.304 1.763 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247814798 UQHNARYFTFWMHK-CRAIPNDOSA-N 410.327 1.959 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)n1 2247837045 MBJBWPFTAPZKKM-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2CC[C@@](C)(NC(=O)C(F)(F)F)C2)OC1(C)C 2247837965 AMYIYLXQVITLKM-QGZVFWFLSA-N 416.205 1.862 30 10 HDEE C=C1COC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353477 LCHJVNNZQIPAQQ-LLVKDONJSA-N 405.734 1.934 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CNC[C@H]3C4)cc2Cl)OC1(C)C 2267362166 NUTPNQQIYKGYPN-RFAUZJTJSA-N 404.750 1.341 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)[C@H]1CCS(=O)(=O)C1 2281977088 KLUNWRQBDYEWOE-JTQLQIEISA-N 419.761 1.960 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(C)[C@@H]1CO 2282317705 VGQKTMNRYRMVOQ-ZDUSSCGKSA-N 401.359 1.747 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@H]1F 2282322106 GLAQSUJLLPRRKM-NEPJUHHUSA-N 405.322 1.713 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](CCN)C2)OC1(C)C 2282332869 HJWQEYUCALCDRG-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@H]3CCO)c2)OC1(C)C 2282340346 DTOGQRATDSKENL-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CON(C1CCOCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282353492 WCJZYKPHAQLTRS-UHFFFAOYSA-N 403.331 1.778 30 10 HDEE CCN(CC)C1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282409352 OSMVYVSODMNBIQ-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC[C@@H](C)[C@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282413683 ILEJXXGEXWUXGJ-DGCLKSJQSA-N 404.363 1.269 30 10 HDEE C=C(CCN)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282419672 QWTYATIHONDUFS-UHFFFAOYSA-N 400.375 1.847 30 10 HDEE CON1CCC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282491134 KMFGMNPQXKORLC-UHFFFAOYSA-N 402.347 1.351 30 10 HDEE Cc1c(C(=O)N2CCC(C3OCCO3)CC2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2282563110 AINPDVJSAYRTOA-UHFFFAOYSA-N 405.304 1.253 30 10 HDEE CN1CCOC[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282611217 IGFOHSURNQHXSN-NSHDSACASA-N 400.737 1.761 30 10 HDEE C[C@@H]1CCOC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282827767 CYVWCFKQEQGISI-OCCSQVGLSA-N 401.359 1.892 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@@](C)(=O)CCN 2282833975 NNKDBSAHZBYTER-VWLOTQADSA-N 402.347 1.039 30 10 HDEE C[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282845735 YKWUGDXOYUJPJJ-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE CNC[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282863245 OYDNBOSBVPUMJL-ZDUSSCGKSA-N 400.375 1.667 30 10 HDEE COC(=O)N(C)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282865573 WCIKBXFGWBWFRJ-UHFFFAOYSA-N 404.319 1.024 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)O1 2284062025 IJOVGWKRYHZQIV-GHMZBOCLSA-N 403.335 1.208 30 10 HDEE CCOc1ccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc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c2cccc(C(F)(F)F)c2)CC1 26471079 VSJGIHSXDOCEET-CYBMUJFWSA-N 405.442 1.702 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1 34691368 URFDEDURMYRKTK-PZJWPPBQSA-N 422.522 1.048 30 10 HDEE Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3c(C)[nH]c(=O)[nH]c3=O)o2)n1 44441192 BFQZDKDMVUBKIS-SNVBAGLBSA-N 418.460 1.079 30 10 HDEE O=C(NO)c1cc(I)cc(I)c1O 215931834 PIEZKJINDUUIGX-UHFFFAOYSA-N 404.929 1.720 30 10 HDEE COc1ccc(N2CCN(CC(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)C2=O)cc1 238830500 FUKPUDQPQCXENU-LJQANCHMSA-N 421.457 1.884 30 10 HDEE CN1CCN(C(=O)CSc2nc(N/N=C/c3cccc([N+](=O)[O-])c3)n[nH]2)CC1 253561795 CNDUSESZOVYFJX-LICLKQGHSA-N 404.456 1.025 30 10 HDEE C=CCN1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@@H]21 254568485 HFLKWFOKJKCMQY-BBRMVZONSA-N 410.517 1.529 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@H]1c1cc(F)c(F)c(F)c1 409505454 AQVREPXORKPKHA-YLQAJVPDSA-N 418.441 1.298 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 410203330 GLNKNQYYQXYUQN-QFBILLFUSA-N 420.535 1.829 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1 427991313 KGZUKSORJDNAQG-YMPPPQHUSA-N 414.527 1.390 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC1=O 429454226 NRVFQSVCEDGHPU-YCPHGPKFSA-N 424.461 1.647 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(Cc3ccc(F)cc3)CCOCC2)CC1 431677037 TXQNFQIVRYXOIR-UHFFFAOYSA-N 403.498 1.611 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)c1 437315157 KRARUJPOEOJYLZ-UHFFFAOYSA-N 413.459 1.868 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)ccc1C#N 443911937 ZTDFEKZSQBQQMR-UHFFFAOYSA-N 404.536 1.432 30 10 HDEE COc1cc(CNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)ccc1C#N 460586000 VTSTZAZSQONLBY-UHFFFAOYSA-N 406.446 1.574 30 10 HDEE COC(=O)Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 473490202 MUEHIOUESLZVSB-UHFFFAOYSA-N 401.444 1.846 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C 478851976 VEOVPPBMTYHHLM-UHFFFAOYSA-N 423.336 1.451 30 10 HDEE CCOc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OCC(=O)OC 484901708 ACBUSLSUMCSTTP-UHFFFAOYSA-N 424.457 1.866 30 10 HDEE C[C@@H](NC(=O)N1CCN(c2ncccc2C#N)CC1)c1cccc(S(N)(=O)=O)c1 503892312 LGSBODCZJBIBSO-CQSZACIVSA-N 414.491 1.193 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 508824836 IQMMUPBUVRTAGF-SJLPKXTDSA-N 404.559 1.930 30 10 HDEE COc1cccc(CCNC(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)n1 513295587 YHKUIGVNRPPGHG-UHFFFAOYSA-N 408.393 1.584 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)CC1 514982324 RGUDCIOQONJJAR-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN([C@@H](C)C(=O)N(C)CCC#N)CC1 532922576 BLWPGPDJXFAGQG-MAUKXSAKSA-N 406.914 1.932 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1C#N 536305204 NLJHHMAMHQHDMU-GFCCVEGCSA-N 402.405 1.703 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 555264860 AJOWJEUIVCFCRV-KSZLIROESA-N 423.583 1.303 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(C(=O)CC#N)CC2)ccc1[N+](=O)[O-] 561681136 YTGIEVZNAXHJQQ-QGZVFWFLSA-N 413.434 1.092 30 10 HDEE Cn1cnc2cc(N3CCN(c4nc5c(cc4C#N)COCC5)CC3)ccc2c1=O 585568877 YOFMTDYZTJLEAC-UHFFFAOYSA-N 402.458 1.599 30 10 HDEE CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586858816 HKUMACLKUDSYPP-LBPRGKRZSA-N 418.450 1.099 30 10 HDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(C[C@@H]2CCCO2)c1=O 603798887 PCNQFEPOWAKQIZ-AWEZNQCLSA-N 417.556 1.486 30 10 HDEE CC[C@@]1(C)NC(=O)N(CC(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)C1=O 609151292 BCCYDDMQPWFOON-AUUYWEPGSA-N 415.475 1.119 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 610187905 WOIXNARJONICJB-QGZVFWFLSA-N 406.494 1.669 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(-c2nnc(S)n2N=Cc2nccn2C)c1 727253285 CXDWWRCCQIANON-UHFFFAOYSA-N 419.536 1.880 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(C)ccc2OC)C1)[C@@H]1CCS(=O)(=O)C1 729331239 ABGYHWSPVLNHIO-JKSUJKDBSA-N 404.488 1.005 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OCC)cc2)C1)[C@H]1CCS(=O)(=O)C1 729332568 ZXISZZIIKKLLLZ-RDJZCZTQSA-N 404.488 1.087 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 732419696 CRQFBQYYIJOYPO-VLGSPTGOSA-N 417.853 1.880 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cn2)c1 732706257 LURLTPUJEYAZEQ-SFHVURJKSA-N 416.441 1.883 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@@H](C#N)c2ccc(Br)cc2)c(=O)n(C)c1=O 733254538 XSTLANYJDWGODV-PODYEWJSSA-N 403.236 1.241 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 734215027 FQXYDQBMDYTPFQ-JFVSRZABSA-N 407.471 1.212 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1CC(C)C 735069303 SGQLFXLJQDHHRJ-UHFFFAOYSA-N 415.563 1.592 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3)c2=O)cn1 735069671 ZCOOIKYYOCJNIA-UHFFFAOYSA-N 419.510 1.287 30 10 HDEE C#CCSCCNC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1 740488005 VHFVGZFHELYSOF-UHFFFAOYSA-N 407.536 1.906 30 10 HDEE CC(C)CNC(=O)N1CCC[C@H](CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 741432887 RKESHGDQLIILRC-MRXNPFEDSA-N 420.535 1.972 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCSCC3)cc2)CC1 743187823 BVQWAWSCOADVHN-UHFFFAOYSA-N 403.552 1.692 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CC[S@](C)=O)CC1 746472844 GYGBFABADPOFAZ-UULLZXFKSA-N 406.552 1.326 30 10 HDEE C[C@H]1CCN(Cc2ccccc2)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 746762466 YFQWXXNCPMFRFU-UAFUQJIBSA-N 411.506 1.819 30 10 HDEE CNC(=O)CCOc1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747495045 HPHSEDALAHPGLL-UHFFFAOYSA-N 410.430 1.337 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)C(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760553145 WHGACARWUARUTH-MRXNPFEDSA-N 418.457 1.585 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)NCCc1ccc2c(c1)OCCO2 780205233 KGLPNVNXLCCRJG-XOBRGWDASA-N 410.426 1.653 30 10 HDEE N#CCC1CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 782088365 JGXXWSXAXXRNPN-RQZCQDPDSA-N 416.547 1.757 30 10 HDEE CCOc1cccc(C=Nn2c(-c3cnn(C)n3)csc2=N[C@@H](C)COC)n1 789968485 OSTCRRRAQDPOFY-ZDUSSCGKSA-N 401.496 1.957 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)NCC)CC2)CCCN1C(=O)OC(C)(C)C 790259071 DRPCYEGHDKWKKW-NRFANRHFSA-N 408.543 1.613 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCc2noc(Cc3ccccc3)n2)c1 795328412 VWLRLYNKLKGPAP-UHFFFAOYSA-N 412.427 1.554 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)n1cnc(C#N)n1 798425026 VIFGORGVGKWBIN-NSHDSACASA-N 423.355 1.987 30 10 HDEE Cc1ccc(CNC(=O)c2nnc(COC(=O)[C@H](C)n3cnc(C#N)n3)s2)cc1 798745815 MHVZCPFRVMIHST-LBPRGKRZSA-N 411.447 1.544 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCC3CCC(C#N)CC3)cnc21 799388333 SMLJBWITUVUWRM-UHFFFAOYSA-N 407.272 1.339 30 10 HDEE COC(=O)c1c(F)cc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1F 802562741 WVFMYDVGVXSMHO-UHFFFAOYSA-N 403.341 1.887 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804162800 SXQQKWWIQQULAX-UHFFFAOYSA-N 404.442 1.829 30 10 HDEE COC(=O)c1ccc(CCNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 818795617 HUHYARJOVYXQOJ-VHEBQXMUSA-N 401.419 1.057 30 10 HDEE Cn1cc(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)c(=O)n(C)c1=O 915051569 ZZRIZTUFGWSJOA-UHFFFAOYSA-N 401.430 1.778 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cccnc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 1084026579 PSUKCJFQUQGAJH-UHFFFAOYSA-N 422.430 1.260 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)cc1C#N 1134074045 CGDQGNUTUNBICD-YOCVDRLZSA-N 419.441 1.704 30 10 HDEE COc1nsc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1136149392 JGWVIKILOFJHKU-UHFFFAOYSA-N 422.488 1.179 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1C[C@@H](N(C)C)C1 1143802858 LJMQICXHQLYWMR-UXLLHSPISA-N 406.552 1.596 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1153858810 KSSKTDJHDLAKAO-KBPBESRZSA-N 410.515 1.572 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccccc3OCc3cscn3)C[C@H]1CS(=O)(=O)C2 1156669417 AYPFRICPBDYRBB-UGSOOPFHSA-N 403.485 1.732 30 10 HDEE C[C@H](CC(=O)N1C[C@H]2C[C@@H](N(C)C)CC[C@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 1159298562 NOAXARGQQIMBCZ-TWMKSMIVSA-N 418.563 1.692 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccc(OCC)cc2)ccc1C 1159761088 BIZNYKNIPKKTBN-INIZCTEOSA-N 416.499 1.943 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@@H](NC2CC2)C(F)(F)F)cc1 1161890904 RBHJORHTFKBFIA-CQSZACIVSA-N 404.414 1.026 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c([N+](=O)[O-])c1 1168652972 JRCJSFLUWKZMEQ-UHFFFAOYSA-N 400.416 1.806 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1171442065 ZHLSNQGCOYYZEX-AWEZNQCLSA-N 403.907 1.730 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2ccccc2C#N)cn1 1176153284 DDXGJTOHZRPFOG-GOSISDBHSA-N 401.492 1.482 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2C[C@@H]3CCC[C@]3(C(N)=O)C2)CC1 1176555305 JYSWWDZBRSGXRB-KPLVRAHFSA-N 413.497 1.122 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CC[C@@H](COC)O2)c1 1178597937 MSSMVYCSZJLTQA-DFQSSKMNSA-N 421.515 1.519 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCc4c(sc(N)c4C#N)C3)C2=O)cc1 1179869977 YLWZXUVVUBBXDQ-NRFANRHFSA-N 423.498 1.862 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1cc(Br)ccc1OCCOCC 1192318395 JLVCSJSRRSQUSW-CYBMUJFWSA-N 406.298 1.527 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 1233854186 VOWOVMTUCFFLKN-DOTOQJQBSA-N 414.510 1.974 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCCS1(=O)=O 1286269168 CSXXAXSXPHOSOF-GOEBONIOSA-N 409.556 1.622 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1286376103 FNHFZSQXHYPVHX-INIZCTEOSA-N 401.492 1.256 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1286447202 KGZQZDOOLLFMQR-FQEVSTJZSA-N 423.565 1.849 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CC(=O)NC(C)C)CC1 1286476288 SLJBDBPOHIHRGX-UHFFFAOYSA-N 417.517 1.773 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)NC(C)(C)C)CC1 1286486582 OTCCJVAQQQHUKA-UHFFFAOYSA-N 402.543 1.672 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 1286497125 NFDCZRACCBZQEE-QGZVFWFLSA-N 404.584 1.476 30 10 HDEE C=C(Br)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1286534013 OLQHLAXDOPGABQ-UHFFFAOYSA-N 407.228 1.698 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1286592364 AZSDOJFJJYIMAK-HNNXBMFYSA-N 406.512 1.832 30 10 HDEE C=C(C)COCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1286610052 WBNUTTNBPNRYJM-SFHVURJKSA-N 414.485 1.815 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286645700 GGCXNDUWTCENME-ROUUACIJSA-N 403.527 1.823 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C1CC1 1286790577 GQJFJNOVKYIHCH-HNNXBMFYSA-N 420.514 1.487 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)C1CCCCC1 1290865087 KOZQLMLFBMVTDR-UHFFFAOYSA-N 422.537 1.971 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OCC)CCOC1 1296250610 BWSFACPYAQQFCS-QRWLVFNGSA-N 406.531 1.688 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1298665898 HXTJVSKYGFKIMJ-HOTGVXAUSA-N 413.455 1.558 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccccc3Cl)nnc2N2CCO[C@H](C#N)C2)C1 1298877479 GGHYITDAOFJLIH-AUUYWEPGSA-N 402.886 1.394 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1300410714 PXTJKERPNSBMFW-SFHVURJKSA-N 413.526 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(OC)cc1 1300505488 BKKKFASIFAAASQ-UHFFFAOYSA-N 407.474 1.675 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)OC 1300510878 AMZMJNWZJWSENK-MRXNPFEDSA-N 415.519 1.303 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300887398 BZCVNHZFCYPEQD-DAESXHAQSA-N 416.526 1.636 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1300946147 KSEJZADJKBWASG-ZDUSSCGKSA-N 422.511 1.100 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnc(C)s2)CCO1 1301358864 FGQIQTJQAODVAL-MRXNPFEDSA-N 411.491 1.877 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1301491231 MXAILLOENRGMOU-HNNXBMFYSA-N 410.482 1.726 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nnc(CC)s2)C1 1301535789 OSZLZKGLDHWBEV-AWEZNQCLSA-N 417.539 1.758 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(C)(C#N)CC1 1301587715 RDWNFGVMAITIEY-UHFFFAOYSA-N 414.535 1.995 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCN1CCC(O)CC1 1302027304 IULZSMCSENNCGE-JXFKEZNVSA-N 424.521 1.291 30 10 HDEE CC(C)NC(=O)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303430938 RPRDKNOLBUDMHM-UHFFFAOYSA-N 409.494 1.680 30 10 HDEE Cc1cc(C)n([C@H]2CCCN(c3nnc(C)n3CCN/C(O)=C3\N=CC=CC3=O)C2)n1 1304733809 OSUUAPTULGSMKR-NRTINQSCSA-N 424.509 1.768 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CC#N)CC1 1314641627 DTBIYKFUXSASPA-UHFFFAOYSA-N 407.478 1.947 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1315158109 GIBGPMXPJMGYLL-APWZRJJASA-N 424.505 1.679 30 10 HDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1315675078 FFHPMKMIMGLUIH-QFIPXVFZSA-N 417.473 1.970 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(OC)CCOC1 1316061213 HTKNIVKIYWWOJB-FQEVSTJZSA-N 401.467 1.617 30 10 HDEE COCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1316067670 GRGJTSMSRWBAOA-UHFFFAOYSA-N 412.542 1.573 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)CCO1 1316535260 HQHHTDFLCQYZHL-INIZCTEOSA-N 410.482 1.140 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H](OCC)C2CCOCC2)c(C#N)cn1CCOC 1356400892 LQDMEHOJOGWCKT-GOSISDBHSA-N 407.467 1.953 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1CCS(=O)(=O)CC1 1359026088 KGIACHCXPFTUAS-UHFFFAOYSA-N 417.535 1.175 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1359133433 RSHJYLGBMCOVFO-MSOLQXFVSA-N 419.526 1.202 30 10 HDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1359148787 CHFOXSKPXHGEAR-GFCCVEGCSA-N 413.869 1.256 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CCC)CC1 1359158892 HMCKGBDCAKCOIK-SJORKVTESA-N 410.588 1.919 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@@H]2C1 1359228912 SLUQXWPMBYTUBV-IBGZPJMESA-N 415.542 1.253 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1359297646 XFGALJIHSONRDC-UHFFFAOYSA-N 422.411 1.990 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1359332211 RQVUHVWOBXVPMO-UHFFFAOYSA-N 423.583 1.841 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 1360174909 SSBLMUCQWAZIRN-PXNSSMCTSA-N 401.507 1.904 30 10 HDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435679977 HORDQYNUTTZKAS-KMFMINBZSA-N 419.865 1.744 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCc2ccc(C#N)cc2)CCS(=O)(=O)CC1 1437628878 SVXWSYKWQUJKAA-UHFFFAOYSA-N 406.504 1.754 30 10 HDEE C#CCCN1CCN(C(=O)c2cc3n(n2)C[C@@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1442680118 NNJYZCBFCHMADR-MRXNPFEDSA-N 401.511 1.803 30 10 HDEE CC(C)c1n[nH]c(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1450151831 OXSJORYHHNVWFN-UHFFFAOYSA-N 418.523 1.843 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCOc1ccc(S(N)(=O)=O)cc1 1450597179 BPMMJLGPWUTBFU-UHFFFAOYSA-N 417.487 1.650 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)C1 1455706867 VRAKJBPNFBHMIN-SFHVURJKSA-N 415.538 1.823 30 10 HDEE Cn1c(O)nc(N2CC[C@H](NC(=O)CCCCOc3cccc(C#N)c3)C2)cc1=O 1456425047 BAMDSNHAHPQGNB-INIZCTEOSA-N 411.462 1.302 30 10 HDEE C#CC1(O)CN(C(=O)[C@@H](CCC)NC(=O)NCc2ccc(Br)cc2)C1 1456812287 ZKMCEMMZMXMDPX-OAHLLOKOSA-N 408.296 1.624 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cccc(C#N)c1Br 1462824889 RPYYZBXOMNFYPD-UHFFFAOYSA-N 408.299 1.108 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(CNC(=O)OC(C)(C)C)n(C)c2C)CC1 1467451036 FLIWUVGKVYWFLE-UHFFFAOYSA-N 416.522 1.960 30 10 HDEE N#CC1(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CCOCC1 1468277759 GOKNBPOIVODLDU-UHFFFAOYSA-N 420.535 1.981 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCc2ccccc2NC1=O 1470667648 BBNHAWMEPXJRSB-RHSMWYFYSA-N 405.462 1.522 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)CC1 1470867997 WGKGYFYPWBGESG-UHFFFAOYSA-N 421.498 1.820 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1471410555 RSBUHMSFVHGAJO-HUUCEWRRSA-N 411.503 1.120 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)CC1 1471451161 OVZXLLTWRAMNAM-UHFFFAOYSA-N 410.710 1.872 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2F)C1=O 1478284260 FRJIXOPZBGTMGI-ZDUSSCGKSA-N 403.863 1.484 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCOC23CCOCC3)nn(-c2ccccc2)c1N 1479538614 QOHSMPNRJADDND-IBGZPJMESA-N 424.505 1.896 30 10 HDEE CCN(CC(C)C)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1501709621 YVJXKSVYJDAHPQ-ZPHPHTNESA-N 410.482 1.744 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CCC(=O)N1CCOCC1 1507645089 TYOPHJNVLWRQLA-UHFFFAOYSA-N 407.474 1.275 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCS(=O)(=O)c1ccccc1 1507646965 VKAMCGYVHZCGTP-UHFFFAOYSA-N 405.483 1.887 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1ccco1 1507660911 HMNBLMHBOHOEJT-FGZHOGPDSA-N 412.490 1.894 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCN(C)C1 1507681289 RUYLOAPXCZTZOO-SFHVURJKSA-N 421.343 1.572 30 10 HDEE C#CCN(CC)c1nnc(CC2CC2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1507692132 NYVXOHVHORWFCB-QZTJIDSGSA-N 405.568 1.894 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1CC(=O)N1CCN(c2ccccc2)CC1 1507697605 BZALZHYAEAXYCP-UHFFFAOYSA-N 410.522 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CC1(S(C)(=O)=O)CC1 1507705568 UOPNOQYADOKYNM-UHFFFAOYSA-N 423.926 1.657 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)Nc2ccccc2)CC1 1507715878 JNRAKHXQGKORED-UHFFFAOYSA-N 423.521 1.200 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@](C)(O)C(C)C)CC1 1507739125 MZIWEIGNBXMZAV-UWJYYQICSA-N 403.527 1.155 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507754676 FZLSDKXRENSWHR-OAHLLOKOSA-N 418.548 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cnccc2OC)C1 1508109848 VPXDMWOGOZGXHP-QGZVFWFLSA-N 412.494 1.747 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCCn2ccnn2)CCOC1 1509808393 UBHRDUSCUIVEIN-OALUTQOASA-N 418.477 1.442 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCc2cccnc2)CCOC1 1509815784 KTTLXUNNLRITLN-RXVVDRJESA-N 412.494 1.685 30 10 HDEE CCOCc1nnc(N2C[C@@H]3[C@@H](C2)C3(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1516490102 OCMXEODVTLIAAE-RUIRWZRLSA-N 400.483 1.433 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1517438259 KVRFMFLOXZDFNR-LBPRGKRZSA-N 401.471 1.374 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCCS1(=O)=O 1518418623 GDMKZLNBDUFWPM-HNNXBMFYSA-N 418.523 1.585 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1534516755 UWBHGBXEWUUCLQ-LJQANCHMSA-N 423.535 1.389 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539116307 LSGZHNKZNSOPPX-UHFFFAOYSA-N 407.478 1.583 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539139123 BUHZCKYBBHRVCB-GHTZIAJQSA-N 403.527 1.696 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)CN1CCOCC1 1539165884 QDUSWMKSHBIRMP-KRWDZBQOSA-N 411.506 1.754 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539171708 NXOMBAUSLIHFHA-HNNXBMFYSA-N 412.519 1.777 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(NC(C)=O)nc1 1539317987 KPKNAOQFBUHURU-QGZVFWFLSA-N 405.462 1.094 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCn2cc(Cl)cn2)CC1 1539446531 FIWZELUUEXWSAQ-QGZVFWFLSA-N 403.918 1.825 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC(C)C 1539534661 VZEBWKGNXUYDCM-OAQYLSRUSA-N 409.494 1.832 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1540043822 IYHOBXAFNGTMER-IBGZPJMESA-N 412.538 1.653 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@@H]1C 1540880729 OYCKIIJWIYFALV-RDJZCZTQSA-N 424.505 1.509 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1540915555 MDTABTRXCQULGD-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1541112074 DVSIMCNAAOEXTO-VQIMIIECSA-N 421.549 1.924 30 10 HDEE C=CCN(C(=O)c1cc(I)ccc1N)[C@@H]1CCS(=O)(=O)C1 1542216696 AGIYOLLJPFNARL-LLVKDONJSA-N 420.272 1.689 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@@H]2CCC(=O)N2)cc1 1543335538 KYCIZSHBXPOJIJ-GBPUDXIESA-N 406.508 1.887 30 10 HDEE CC[C@H](C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1545600013 BFXDEAGZQWZINE-DXQAYGFFSA-N 414.510 1.935 30 10 HDEE Cn1ccc(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)n1 1554341365 DNOBJKJUTGBYQD-INIZCTEOSA-N 417.539 1.286 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1555474967 WMXACZIKSOACPN-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1)C1CCOCC1 1565106611 VOVIISMSRLKPQR-VQIMIIECSA-N 411.458 1.121 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCN(CC#N)CC3)ccn2)CC1 1565814711 FOPIYPOCRUYQBL-UHFFFAOYSA-N 414.510 1.420 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1565988704 KRSYCXLJYRBJRA-NRFANRHFSA-N 409.502 1.566 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)c3cnn(CCC#N)c3C)C2=O)c(OC)c1 1568755528 WRVORJSBISDYGQ-GOSISDBHSA-N 411.462 1.653 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)C(=O)OC 1570218719 IIYACKFEPLOBKU-KRWDZBQOSA-N 406.504 1.385 30 10 HDEE CCc1ccccc1-n1cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)nn1 1585100478 GAWAHHBBICNZJQ-UHFFFAOYSA-N 404.478 1.706 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cnnn1 1588084415 QSIVOMIDFUXQRW-INIZCTEOSA-N 408.441 1.707 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589042798 ONHARWIIADFYBS-LJQANCHMSA-N 419.576 1.665 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1593728915 FRJMSMZRNNGJJQ-UHFFFAOYSA-N 416.526 1.608 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C)C1=O 1595228445 CJZMUDVROVPIMC-FQEVSTJZSA-N 414.535 1.926 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1595418223 DKVJZQFQQNQBEX-XLIONFOSSA-N 409.538 1.439 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 1595790502 NCIKYSABFXCGKT-FJIDUMEYSA-N 405.564 1.497 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1597704811 GEWIZMSATGPXJL-QGZVFWFLSA-N 402.458 1.533 30 10 HDEE CCN(CC)CCn1ccc2cc(NC(=O)Cn3cc(C#N)c(O)nc3=O)ccc21 1610141489 FFABWBMVNPDCDK-UHFFFAOYSA-N 408.462 1.756 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1611315342 WJPHLJDJNPMRGF-CXAGYDPISA-N 409.537 1.218 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CCCO2)CCO1 1618692410 CYICBBSFHIYZBH-UTKZUKDTSA-N 410.478 1.337 30 10 HDEE COCC[C@](C)(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1619766191 DJXFNGFHZZORDL-UXHICEINSA-N 404.515 1.432 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc2c(c1)COC2 1620024370 HRBAFHSMKLJNNA-DNVCBOLYSA-N 413.478 1.809 30 10 HDEE Cn1cncc1C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1623604879 OCPQGYMHEJPZQW-SFHVURJKSA-N 420.473 1.903 30 10 HDEE CS(=O)(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1624838800 BRWXBOZNQABCMR-UHFFFAOYSA-N 411.436 1.747 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)Cc1ccc(Br)cc1C#N 1625861770 ZMTGVTOESQVPCK-IUODEOHRSA-N 414.325 1.697 30 10 HDEE C#CCN1CCCN(C(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1628350626 GGMIUCBPARBTHV-UHFFFAOYSA-N 418.346 1.829 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 1629894437 AZNWHIJALCFWFP-CQSZACIVSA-N 424.885 1.876 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(Cn4cncn4)CC3)C2=O)cc1 1634647613 XBTORTLILKOKDG-GOSISDBHSA-N 421.461 1.294 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(O)CN(C(=O)OC(C)(C)C)C2)c1 1634837577 XQKXBPRRGXTMGF-UHFFFAOYSA-N 422.503 1.195 30 10 HDEE C=CC(C)(C)CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1635334677 RSRVUYYGSQVODI-CQSZACIVSA-N 403.545 1.922 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H]4COCC[C@@]4(C(=O)OC)C3)n[nH]2)c1C 1635689840 UJSYJLBRKBUYCS-YCRPNKLZSA-N 413.478 1.728 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1635758147 ZVHMUXBKODCWDR-QFIPXVFZSA-N 416.522 1.737 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1636696236 LCXSTKILTDEPBK-PLINVYDWSA-N 403.504 1.064 30 10 HDEE C=CCC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1636816593 KILUUMGMNDMARO-OAHLLOKOSA-N 407.492 1.519 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)c1 1638347776 LYFVLQNXPFLROA-INIZCTEOSA-N 405.382 1.407 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H](C3CC3)C3(CO)CCOCC3)CC2)o1 1640307951 BJSVTZHZHIKBFJ-GOSISDBHSA-N 402.495 1.755 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCC[C@H]2CSc3ccccc3O2)c1 1641664729 WADVKVYNNKIEPY-HNNXBMFYSA-N 417.512 1.896 30 10 HDEE COC[C@]1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCCCN1C(=O)OC(C)(C)C 1642709224 LLVSRVWQBDQYHP-UTKZUKDTSA-N 406.527 1.991 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)CN[C@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1644267322 FDZXVGPKKMJTIX-MRXNPFEDSA-N 418.441 1.291 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1[C@H]1CC[C@@H](COC)O1 1645171792 YQZLSTXKKZVUQQ-WNRNVDISSA-N 410.511 1.715 30 10 HDEE CC1(C(=O)NCCn2ccc(O)nc2=O)CCN(c2ccc(Cl)cc2C#N)CC1 1651836130 DMMOYPNMJCRDOE-UHFFFAOYSA-N 415.881 1.897 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1CCn2ncc(I)c2C1 1654885291 KPVBKQXMDIRSCU-NSHDSACASA-N 401.252 1.311 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1cccc(I)c1 1655365873 BIJXFWSFGYLXMY-UHFFFAOYSA-N 401.204 1.618 30 10 HDEE C=CCCn1cc(CN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)nn1 1659255711 YYGBVIQKKWJKDN-UHFFFAOYSA-N 419.536 1.365 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)C(=O)N1CC[C@H](N(C)C)C1 1663033925 ARUDFZNWCMSXLQ-RDJZCZTQSA-N 410.515 1.553 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2c(C)nn(Cc3ccccc3)c2C)C1=O 1663042853 YOTHWAKOWAPKAB-GOSISDBHSA-N 402.520 1.956 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@@H]1CCC2(CCOCC2)CO1 1664295624 PMRXLSQAYHQPAC-INIZCTEOSA-N 401.525 1.569 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)CC[C@@H]4CCOC4)CC3)n[nH]2)cc1 1664302906 AUGBHTFDENFLDK-KRWDZBQOSA-N 415.519 1.827 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1664372893 UEDQBTXATLUGHD-INIZCTEOSA-N 421.496 1.785 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)CC1 1665124225 ZNMPYFONZWICFY-UHFFFAOYSA-N 404.485 1.126 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 1673763784 KGEYUMMSJQVVRQ-UHFFFAOYSA-N 421.519 1.730 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 1677656526 HWLICDVSMUMPQO-IEBWSBKVSA-N 420.535 1.723 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 1680103333 LOLGJHREYXHAAH-GFCCVEGCSA-N 402.879 1.335 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCN3C3CCOCC3)C2=O)cc1 1680778882 OBMJHGUBWRLZTM-WOJBJXKFSA-N 411.506 1.212 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1681197359 SCBWTHXCOXQGCS-OLZOCXBDSA-N 419.425 1.463 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(F)cc1F 1681815255 OHMHFKYMBRUGRC-AWEZNQCLSA-N 401.435 1.115 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCO1 1682226656 OGTHFIJXWSIAIP-WOJBJXKFSA-N 413.522 1.411 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1689893103 UIGWQMPYCCALIZ-IKGGRYGDSA-N 419.551 1.231 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(C)(C)C)C1 1689930126 LBHIEPBIRIIORJ-IRXDYDNUSA-N 423.583 1.897 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCOc1ccc2c(c1)OCO2 1690104129 NJXZOJGSVJGMKD-INIZCTEOSA-N 414.462 1.676 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@H](C2CC2)N(C)C)CC1 1690129480 YPQJTEDRXFHPPE-IBGZPJMESA-N 413.595 1.729 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2ncnn2C(C)(C)C)CC1 1690143997 IUVJVQQIQAXGIZ-UHFFFAOYSA-N 424.553 1.906 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2C[C@]2(O)CCOC2)CC1 1690150538 LQOICZOCSSAVAF-JOCHJYFZSA-N 415.538 1.128 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O 1690266805 KBDWGNXZMZGSKG-QGZVFWFLSA-N 421.523 1.742 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1690465376 YTTIADQUONZXHJ-INIZCTEOSA-N 421.567 1.643 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690640778 BKZSXYLFGPRSAK-UHFFFAOYSA-N 415.498 1.822 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCCN(C(=O)C(C)C)CC1 1690670658 GRIWYCGZOBVCPH-QGZVFWFLSA-N 418.542 1.517 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1CCC[C@@H]1NC(=O)NC1=O 1692665756 YWBNRDWRKQSCON-OCCSQVGLSA-N 401.496 1.657 30 10 HDEE Cc1noc(CCCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)n1 1693538517 CFQCXHFFNCXWQX-GOSISDBHSA-N 402.434 1.280 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@](F)(C#N)C2)C1=O 1696874817 RJBGQMNKHGEZAB-UXHICEINSA-N 400.433 1.928 30 10 HDEE CO[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1697160003 NOHUKDQWLHHKRE-SFHVURJKSA-N 422.493 1.885 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C)OC 1697755715 KFZBGKCYWPVAJS-KRWDZBQOSA-N 414.510 1.829 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(O)CCC[C@H]2C)n1 1705632212 YCXJWXWWHZTHNG-UTKZUKDTSA-N 400.527 1.874 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@@H]2OC)CC1 1705635325 WEUFIJJAZKQEBW-OTWHNJEPSA-N 405.543 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)C2CC2)CC1 1705644626 XFVGKWDTVICGGM-OAHLLOKOSA-N 400.527 1.284 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705752531 YZBASYGFVCKCLY-SFHVURJKSA-N 418.889 1.246 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705794706 QZSNQUPKXISXEW-KRWDZBQOSA-N 418.542 1.344 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1705879662 HTJQIOCFXPDRDQ-OAQYLSRUSA-N 415.494 1.380 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705882890 OHWXMRFARXLCND-IBGZPJMESA-N 406.508 1.134 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(c2ccnn2C)CC1 1705900389 AYGMMWVXXMEJBZ-UHFFFAOYSA-N 409.498 1.098 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCC2(CC1)OCCO2 1705903081 PLEZJGCVZPABPW-QGZVFWFLSA-N 419.526 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1705934861 ZDXYDVRDPOKKAW-MRXNPFEDSA-N 409.556 1.497 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1705948569 XOOPGJQVJPOHBV-HOTGVXAUSA-N 409.556 1.560 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCSCCCO 1706746432 AIPWFADOXWLCRZ-ZIAGYGMSSA-N 401.558 1.034 30 10 HDEE Cc1c(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)cnn1C 1707022527 CCCRRLCWCIVEOW-NRFANRHFSA-N 404.478 1.609 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(CS(C)(=O)=O)CC2)o1 1707384660 CTVQBTXAQLXVFB-AWEZNQCLSA-N 405.480 1.400 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1708259405 RZXIQJJVKZTJGI-AYOQOUSVSA-N 413.478 1.494 30 10 HDEE CCCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNC(C)=O)CC1=O 1709792151 PCZCECOLYKYCOS-UHFFFAOYSA-N 423.521 1.792 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CCNC(=O)C1CC1 1711073604 AOTDVEFWXYYOQA-UHFFFAOYSA-N 421.505 1.435 30 10 HDEE C=CCC1(C(=O)N2CCN(CCN(C)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCC1 1721295662 RCZCPQQNGFMRKZ-RMMWZPCPSA-N 401.551 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1722296819 VLINNIHMIWEZRI-HZPDHXFCSA-N 409.556 1.287 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCCn1cc(CO)nn1 1722302597 JRJAEGMQZTZCCV-HNNXBMFYSA-N 413.457 1.628 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1722303246 NZIZMWSCVMCQGA-GOSISDBHSA-N 408.506 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)c(O)c1 1722386719 IQKFJBRBJIJMHD-UHFFFAOYSA-N 404.474 1.975 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NC1CCCCC1 1722386880 OHDNSQXHZZTENX-UHFFFAOYSA-N 407.522 1.661 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC(=O)NC1CCCCC1 1722426045 WAMZIPYDNUOUHW-UHFFFAOYSA-N 410.522 1.799 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC(=O)N(C)CC)CC1 1722443679 YWTWMWQBVLYTEI-UHFFFAOYSA-N 412.494 1.291 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722459530 MEVCCLANFAQWOE-KSZLIROESA-N 407.584 1.694 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722538826 XMJFSIGSRLJWAC-UWJYYQICSA-N 421.542 1.578 30 10 HDEE CC(C)Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1723335819 HESIFCOGLTUMBC-HXUWFJFHSA-N 421.549 1.949 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN(C)Cc1ccccc1 1723589769 AXWPFIOCSRQKIE-OAQYLSRUSA-N 413.501 1.990 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1723627448 JWBHFBAFOJYKFC-QFIPXVFZSA-N 424.505 1.727 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1723779141 GWSMUDPEMZGZSR-XFQAVAEZSA-N 409.494 1.795 30 10 HDEE Cc1cccc(OCc2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)c1 1724542764 DHIPJTNIDAKEOH-UHFFFAOYSA-N 403.508 1.950 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCCN2CCCO)CC1 1731185977 IBWHZKYJEPBWIB-FQEVSTJZSA-N 409.538 1.851 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1740536980 QETWHYFMBAVBOS-AWEZNQCLSA-N 423.477 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@H]1CC 1740552964 PKOJZUNKOKUKOE-MLHJIOFPSA-N 423.583 1.895 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC(F)(F)F 1740574996 PIOYNKSGQYJPQL-ZDUSSCGKSA-N 423.461 1.413 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1740616370 ZYYBSVSSMXOIHX-INIZCTEOSA-N 409.556 1.479 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F 1740679516 BKMKENPEJUYKMJ-HNNXBMFYSA-N 423.514 1.470 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1740695848 FUKLDMOCTSYSPY-FQEVSTJZSA-N 422.533 1.934 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)C(C)(C)C)CC1 1740696591 YLAGERGIPFPUBG-KRWDZBQOSA-N 423.583 1.141 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2cc(C)on2)CC1 1740696852 IISMBOWJRAUCKI-UHFFFAOYSA-N 406.490 1.977 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC(=C)c2ccccc2)CC1 1740698912 PRIPDRSASCXGEA-UHFFFAOYSA-N 404.518 1.869 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(OC)c1 1740963833 YLRWQSNTHZLKAY-UHFFFAOYSA-N 412.494 1.348 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCC(F)(F)F)C1 1740980210 FVYANGSUWQEFIL-HNNXBMFYSA-N 424.427 1.724 30 10 HDEE CC(C)O[C@]1(c2nnc(N(CCC#N)CC3CC3)n2Cc2nncn2C)CCOC1 1741721416 RWRFAZYPXKKQDL-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1748812343 SUUQFHDDKVOXQY-QGZVFWFLSA-N 422.514 1.719 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748820009 XAEWEUHAKJQVBG-ZBFHGGJFSA-N 408.549 1.592 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2ccccc21 1748825623 AYKQWASZJIOFDQ-WMZOPIPTSA-N 411.531 1.691 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 1748925317 HFUQOTASSFNUSV-KRWDZBQOSA-N 407.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@@H]2CCCCO2)CC1 1748979228 WGWXDLCKGFTICE-UGKGYDQZSA-N 417.554 1.645 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1cccc(O)c1 1749676880 GVJDCFOPHXORDF-HNNXBMFYSA-N 412.494 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCSC[C@@H]1C 1749735291 RCQVZFUWWBXRAV-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1C1OCCO1 1750069606 MDLSTMTZJJHPIA-WMLDXEAASA-N 410.478 1.919 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NC(C)C 1760251254 ULQNKVMKQMJSHJ-UHFFFAOYSA-N 409.494 1.127 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](C(CC)CC)N2CCOCC2)CC1 1760261445 LTUUSTVVGRZWMW-FQEVSTJZSA-N 402.587 1.733 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCc2ccncc2)CC1 1760268142 NAVYNOYLEBMYSJ-UHFFFAOYSA-N 415.501 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@@H]2CC(F)(F)CO2)CC1 1760271682 GVZQXIAZQIZNQK-INIZCTEOSA-N 407.465 1.621 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1760445707 SPXAGZXRXOPNAQ-OWSLCNJRSA-N 403.527 1.931 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1)C1CC1 1760474083 MMVJPWMJEXEQOG-GOSISDBHSA-N 424.505 1.823 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC(C)(C)OC(C)(C)C1 1760527273 QVZBGPNHZDHYIY-UHFFFAOYSA-N 415.542 1.836 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(C)=O)CC2)nnc1C1(c2ccccc2)CCC1 1760528451 COHVCMWDCIGEQP-UHFFFAOYSA-N 422.533 1.719 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)CC=C)C1 1760545265 QXDLYMKTPBMAQA-HNNXBMFYSA-N 404.496 1.117 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@H]2C[C@H]3CC[C@H]2C3)CC1 1760554422 DGZOZYGBEANPHU-BZSNNMDCSA-N 407.584 1.752 30 10 HDEE C[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1760691862 TYGVEMHKKXYLKJ-GJZGRUSLSA-N 415.498 1.322 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H](C)CC(N)=O)N1CCOCC1 1761396013 HQPCYCVECCQRJE-HZPDHXFCSA-N 411.510 1.238 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCC(=O)N[C@@H](C)CC 1764908899 BBRZDJXBNAMIJJ-INIZCTEOSA-N 410.526 1.739 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCSCCCO)cc1 1770732955 OAXWYYZTGAGEIE-QGZVFWFLSA-N 414.535 1.634 30 10 HDEE CSC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1771379128 BCFSDHJYMDVKAZ-UHFFFAOYSA-N 400.508 1.807 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1849128351 GNENHJJRAYEOLL-QGZVFWFLSA-N 406.508 1.385 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)CC1 1851045813 NBAUUYALZBRHOS-HXUWFJFHSA-N 419.547 1.406 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N=C3C[C@H](C)N(c4ccc(Cl)cn4)N3)C2)no1 1852031578 JZNCMPNNGGWIPK-JTQLQIEISA-N 402.842 1.832 30 10 HDEE CN1CC(=O)N(C(=O)Cc2cc3c(cc2C#N)OCO3)[C@H](c2cccc(F)c2)C1=O 1853390451 WCJWOBYMMLQCJR-HXUWFJFHSA-N 409.373 1.537 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@H]2CCN(Cc3nnc(C4CC4)o3)C2)CC1=O 1853679141 DYQFQVMPDWNINZ-WBVHZDCISA-N 401.511 1.794 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H](C)Oc3ccc(OCC)cc3)C(=O)C2)C1 1853915716 BLTLOVKDHOBKBA-MSOLQXFVSA-N 401.507 1.784 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854048413 GCEQHSCMWNGPNA-ZWKOTPCHSA-N 403.504 1.127 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)cc3F)C2)cc1 1854379953 INRJPKDJKAUHBT-HNNXBMFYSA-N 408.382 1.927 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1 1854599370 JVNDBEHKPFYVBR-SFHVURJKSA-N 419.547 1.643 30 10 HDEE CC(=O)N1CCC[C@H](CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)C1 1854721900 BFJDBHDDSVQGQF-DYESRHJHSA-N 410.518 1.809 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC[C@H](Cn4nccn4)C3)CCC2=O)c1 1854722799 GONYCXYOZNXLHN-RBUKOAKNSA-N 406.490 1.941 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(CC(=O)c3ccc(Cl)cc3Cl)C2)CC1=O 1855002805 SXUSKHYJSFVFBW-CQSZACIVSA-N 423.300 1.835 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CC(C(=O)N4CCCC4)C3)C2=O)c1 1855101621 LSFUGQJFFAHUTD-GOSISDBHSA-N 414.893 1.701 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1=O 1855375707 SUNMRSDBRPEKEH-FUHWJXTLSA-N 400.479 1.613 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CC3(CCC3)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855739811 GNAOTIWHGLAFSF-CQSZACIVSA-N 401.488 1.887 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnn1CC 1856098627 MIQUPQWQLCSWCX-UHFFFAOYSA-N 402.476 1.829 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)N1CCC([C@@H]2CN(C(=O)CC#N)C(=O)O2)CC1 1856212071 MYKJBRAJURXPHB-HNNXBMFYSA-N 409.439 1.796 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)n2)cc1 1856532812 ZQSSYYGMHHIUIQ-RDJZCZTQSA-N 405.462 1.338 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857055590 GLXMCQUCBHYHLZ-ZWKOTPCHSA-N 424.567 1.190 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3cnn(C(F)F)c3)C2=O)CC1 1857068405 NOJXUAPKPOHQTP-HNNXBMFYSA-N 415.404 1.108 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC([C@@H]3CC(=O)N(C(=O)C4CC(=O)C4)C3)CC2)cc1 1857121704 WSQDMAKIANORFA-LJQANCHMSA-N 407.470 1.807 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1861614322 AVGSLYRNXMOFQK-PKOBYXMFSA-N 415.490 1.198 30 10 HDEE C=CCOc1ccccc1OCC(=O)N1CCN(C(=O)CCN2CCCC2)CC1 1868115919 MZEHMZBLNKVFMU-UHFFFAOYSA-N 401.507 1.787 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868796891 YMVYHOFLTFTIGW-QZTJIDSGSA-N 418.563 1.903 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(C3CCC4(CC3)OCCO4)C2)CC1 1872920924 DEIONGXNKQTENC-QGZVFWFLSA-N 419.522 1.061 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(OC)c(OC)c2)cc2c(N3CC(O)C3)ncnc21 1873595971 ALOJNCQLUVCRCF-UHFFFAOYSA-N 423.473 1.745 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2F)CC1=O 1874336425 BRUNXSWGLJGQHL-DYFGUKFHSA-N 422.461 1.740 30 10 HDEE COC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1OC(C)C 1874434295 YFYNRSIWNUAQLB-AWQFTUOYSA-N 405.480 1.849 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)C2CN(c3nccnc3C#N)C2)c(C)c1 1891644877 BJTJBIULZHGFLP-UHFFFAOYSA-N 400.464 1.124 30 10 HDEE CC(C)(C)OC(=O)NC1CN(CC(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2010403784 JRRRMZVIEWVSIQ-GJZGRUSLSA-N 421.347 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NS(=O)(=O)CC2(C#N)CCCC2)C1 2166321345 SJIWBFDTVYCJIM-SFHVURJKSA-N 401.529 1.752 30 10 HDEE COC[C@]1(NS(=O)(=O)N2CCC[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174790037 XVWBCWDCVRVQCK-YOEHRIQHSA-N 402.517 1.082 30 10 HDEE C[C@H](NS(=O)(=O)C[C@H]1CCC1=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186629032 NYBSKHYMSXSZLD-WDEREUQCSA-N 400.331 1.402 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CCC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244549965 LKUQCVPMKCKHPZ-HNNXBMFYSA-N 410.320 1.793 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248588112 ZBJLOAUVBVSZRL-OAHLLOKOSA-N 415.255 1.109 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34COC[C@@H]3C4)cc2Cl)OC1(C)C 2267356486 YPWMKXNRLMIATA-VFZGTOFNSA-N 405.734 1.768 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H](O)C3CC3)cc2Cl)OC1(C)C 2267358283 DWPDBCPBWWNXGA-NSHDSACASA-N 407.750 1.750 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1cnsn1 2267703851 CSUZLGPMQSHIEB-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)[C@@H]2C[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282318570 HSLLEVPTSDGXGT-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@](C)(CCO)C3)c2)OC1(C)C 2282337104 DVLCKJTYNZCUGK-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE C[C@H]1CCO[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282495712 QEZDEIRXUXYCNA-AAEUAGOBSA-N 402.347 1.287 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@@H](C)[S@@](C)=O 2282507352 GKYIUIYJVPPSQE-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](O)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282832753 BZJIGJWQDVJJSU-VIFPVBQESA-N 415.264 1.557 30 10 HDEE CN(C[C@H]1CCSC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835488 VLAHMAXLZFROKM-GFCCVEGCSA-N 418.415 1.957 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H]2CCN)OC1(C)C 2282856126 OAOQCDMLXOGVMN-CYBMUJFWSA-N 400.375 1.939 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)NCC2CCC3(CC2)OCCO3)OC1(C)C 2283056381 MZDNTBLTOPIHDO-UHFFFAOYSA-N 403.288 1.439 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@](C)(C(=O)O)C2)OC1(C)C 2284407598 NANQWQDJSOIEQN-INIZCTEOSA-N 401.315 1.533 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284410107 RERSJEJDKALKKB-QWRGUYRKSA-N 403.331 1.743 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@@H](O)C[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2284436275 AWPIMLPLXPRNOH-WCBMZHEXSA-N 401.677 1.361 30 10 HDEE CCc1nsc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)n1 2288833257 IZWHVWMQUODIOK-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE O=c1c(Br)c(NN=Cc2ccccn2)cnn1[C@H]1CCS(=O)(=O)C1 2322659613 BPWPFSZOGMAOBY-NSHDSACASA-N 412.269 1.206 30 10 HDEE CCC[C@@](O)(CNC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CC1)NCC 2367823719 JACJZMMVKPHBTB-DNVCBOLYSA-N 402.557 1.601 30 10 HDEE N#Cc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccc3)CC2)c1 11796141 HMFZTMAJFZCLEQ-UHFFFAOYSA-N 412.515 1.830 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccccc2S(=O)(=O)N2CCOCC2)cc1C#N 427774835 FGMJSKOHAUXNET-UHFFFAOYSA-N 422.488 1.083 30 10 HDEE COC(=O)CC1(NC(=O)Nc2cc(C#N)cn2C(C)(C)C)CCS(=O)(=O)CC1 433839895 BNWOTQIJIBCGJK-UHFFFAOYSA-N 410.496 1.747 30 10 HDEE Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)NCCOc1ccc(C#N)cc1 460268289 XLOVOHHVLYXBEI-UHFFFAOYSA-N 406.446 1.445 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]2CCC[C@@H]21 460389166 PXZPPHSRYCNQIK-IKGGRYGDSA-N 409.556 1.956 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2nccn(C)c2=O)CC1 467183342 WWUDTDNWRRACQR-ZDUSSCGKSA-N 412.519 1.351 30 10 HDEE Cc1nnc(CN(C)CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)n1C 469135925 UMRJYFDDKXBUGC-UHFFFAOYSA-N 418.505 1.324 30 10 HDEE C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cn(-c2ccccc2)nn1 483109415 WDSQWTJAYNNFAW-LSDHHAIUSA-N 424.486 1.683 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 484532647 PTVXDSHAPOAMBL-HNNXBMFYSA-N 419.507 1.600 30 10 HDEE CCc1oc(C(=O)OC)cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 486573750 HFBFLBFQURCGPC-UHFFFAOYSA-N 404.448 1.406 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cnc21 505123642 GQYOXWUZCWDRAL-UHFFFAOYSA-N 405.414 1.589 30 10 HDEE Cn1c(-c2cccnc2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 507836463 HJFHSEOWXIIQDZ-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 508472315 JRJFLPPTXZEGBB-FHWLQOOXSA-N 404.559 1.547 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2C)CC1 513422118 RKEUUEGOFKITKN-MRXNPFEDSA-N 404.511 1.703 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)N2CCN(c3ncnc4c3cnn4C)CC2)CC1 532753039 HIFRJTAVQRLSCO-JQHMZKTJSA-N 424.553 1.805 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@@H]1CCOC1 533086257 IJWSXXJQZXTVPQ-ZDUSSCGKSA-N 409.467 1.283 30 10 HDEE CCc1noc(C)c1NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 535104581 HRZBGCDSIFRGPL-UHFFFAOYSA-N 403.464 1.956 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN([C@H]3CC(=O)N(c4ccc(C#N)cc4)C3=O)CC1)C2 535125531 MCSVALAERHCJSJ-ZJOUEHCJSA-N 407.518 1.433 30 10 HDEE Cc1nn(-c2ccc(C#N)cc2)c(NC(=O)C(=O)NCC(=O)NC2CCCCC2)c1C 536420921 NXGHJPYXUSYKIO-UHFFFAOYSA-N 422.489 1.864 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H](c3ccccc3)[C@H]3CCOC3)CC2)o1 537095797 QFPMTDQJYWPLGL-GHTZIAJQSA-N 409.490 1.871 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546197819 SDWJMNSXLJYFFB-UHFFFAOYSA-N 411.487 1.380 30 10 HDEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(CC(=O)NCCOC)CC1 549275294 ZFNXIXNNEVDIRC-UHFFFAOYSA-N 416.526 1.616 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCC3)n2C[C@H]2CCCCO2)CC1 549649729 BVWVQRVKOKWUIP-GOSISDBHSA-N 402.543 1.539 30 10 HDEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(C(=O)CC#N)CC1)C2=O 568316667 LHAQJHCEAZORHN-UHFFFAOYSA-N 417.510 1.098 30 10 HDEE Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 581520237 NJKZYORWYLQOFH-ZDUSSCGKSA-N 403.508 1.974 30 10 HDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccccc1 585089000 YCOQAOVOWZBANB-GOSISDBHSA-N 405.456 1.063 30 10 HDEE N#Cc1cc2c(nc1NC1CCC(n3nc(-n4cncn4)ccc3=O)CC1)CCOC2 585622826 MHSYHMBBPDPWBL-UHFFFAOYSA-N 418.461 1.759 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1-n1cccn1 589450388 CBWYNWKMMVKAMD-HNNXBMFYSA-N 409.471 1.900 30 10 HDEE Cn1c(N2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)c(C#N)c(=O)n(C)c1=O 608974813 AZIHUHGOWPCBII-INIZCTEOSA-N 413.865 1.561 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609283504 JBPQPTPOIXWCOL-PBHICJAKSA-N 401.536 1.986 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)N1CCN(c2ncccc2C#N)CC1 619510093 NTADWHNWLZVGJY-GOSISDBHSA-N 420.517 1.836 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CN3CCCc4ccccc43)n2CC)CC1 670083825 PGZQXUWBIIKPIG-UHFFFAOYSA-N 423.565 1.675 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCC(=O)Nc2c(CC)cccc2CC)C1=O 726042128 DCBIKTXZBJNOCO-UHFFFAOYSA-N 401.419 1.270 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)CCC(=O)N3CCOc4ccccc43)CC2)c1 730103802 FNKKMQHCOGZSMA-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 732224695 HYJMYYCMLQHGRB-OAHLLOKOSA-N 409.508 1.890 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(I)cc2)CCN1C1CC1 732707148 VCDAMXBDYXSAPN-AWEZNQCLSA-N 424.242 1.428 30 10 HDEE C#CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 742213758 NZMRNBFYZJVJSQ-INIZCTEOSA-N 404.540 1.316 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)c2ccc(F)c(S(N)(=O)=O)c2)CC1 750047797 RBXRASRFOVLPPM-UHFFFAOYSA-N 402.451 1.744 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2CCN3CCOC[C@H]3C2)cc1 756072550 LSKXUIDODFJYRC-AXNLMSORSA-N 421.523 1.048 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1)C1CCCC1 757174245 XHYXVMMZZFXLRH-UHFFFAOYSA-N 417.531 1.557 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758645616 RSPMXPKHDJLUQZ-UKRRQHHQSA-N 409.464 1.511 30 10 HDEE CCOC(=O)[C@H]1CCCN1S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 766347987 AUEJPKAIHMMNLL-OAHLLOKOSA-N 409.464 1.104 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)OC2CCN(CC#N)CC2)C1=O 771632862 QTXBKDHUCBFLPU-OAQYLSRUSA-N 414.462 1.302 30 10 HDEE C#CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)CC(C)C)[C@@H]1CCS(=O)(=O)C1 774245968 QQGDJGDUUSPATA-HZPDHXFCSA-N 415.556 1.758 30 10 HDEE C#CCN(C(=O)NCCOc1ncccc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 774253741 UHNNSPVBTLSDLA-LBPRGKRZSA-N 405.398 1.311 30 10 HDEE COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 780915996 ZJQYCALBRMUVJQ-QFIPXVFZSA-N 407.470 1.904 30 10 HDEE COc1ccc([C@H](C#N)N2CCN(C(=O)CSCCSCCO)CC2)cc1 783588058 JFPWZFAHIMBLDR-SFHVURJKSA-N 409.577 1.863 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2c(C)cc(C)cc2C)C1=O)[C@H]1CCS(=O)(=O)C1 788936289 OHQRUPIDNWFMKP-ROUUACIJSA-N 417.531 1.549 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc(N3CCCCC3)nc2)n1 789324985 ZYDVTPACSYDDTN-UHFFFAOYSA-N 410.522 1.989 30 10 HDEE C=CCCCN1C(=O)[C@@H](CC(=O)NC)S/C1=N/Cc1ccc(S(N)(=O)=O)cc1 790281771 BBCRENMLHQIPHC-GALDBLJUSA-N 424.548 1.236 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)c1 793120113 UXQTXXKNOKCMEN-XMSQKQJNSA-N 421.501 1.846 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1CCn1cnc(C#N)n1 795172159 KWQMXWCMZPXWGW-INIZCTEOSA-N 423.502 1.759 30 10 HDEE C#CCN(C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 798483560 GSLPYXJEGMJRPZ-CTNGQTDRSA-N 403.548 1.731 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cn1 802030568 JFKVVXMPLZNQRC-UHFFFAOYSA-N 402.432 1.563 30 10 HDEE CCOC(=O)N1CCC(S(=O)(=O)NC(=O)[C@@H](C)Oc2ccccc2C#N)CC1 802997880 RQZMENVBZRNBCE-CYBMUJFWSA-N 409.464 1.392 30 10 HDEE CC(C)(C)OC(=O)N1CC=C(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 804163012 ZFIPVEYLCCJOST-UHFFFAOYSA-N 416.453 1.997 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 809564583 ZMXLHCBMGCMSSL-OTWHNJEPSA-N 421.586 1.914 30 10 HDEE C#CCN(c1nnc(-c2ncccc2C)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 812202850 JKVCIUDGSMLTLH-KRWDZBQOSA-N 417.535 1.702 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H]1CCCO1 812273820 KVDCTPRZIWMGED-RDJZCZTQSA-N 417.535 1.832 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2ncccc2C#N)CC1 812468312 FZIZHLKKTDGELR-PLNGDYQASA-N 400.483 1.866 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nnc(CC)o1 816294472 YYOYBIZFKSCJAW-CYBMUJFWSA-N 405.480 1.546 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 1128855370 BVCWMLKLBTVHRY-CABCVRRESA-N 416.544 1.456 30 10 HDEE C=CC[C@@]1(C(=O)NCc2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1133889750 BLIUMQRTVYFORS-IBGZPJMESA-N 402.455 1.380 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2(c3ccc(I)cc3)CC2)CC1 1137370772 AJTUDBVRKCHCMN-UHFFFAOYSA-N 423.254 1.907 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC 1139432179 UFLYMWPFTBEBOQ-XQQFMLRXSA-N 419.906 1.595 30 10 HDEE N#Cc1cccc2c1CCN2C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1142644249 ICEMRZXDESZECO-MRXNPFEDSA-N 405.863 1.440 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccnn2C[C@H]2CCOC2)s1 1142999111 UNDVSWFUOZUIHY-CYBMUJFWSA-N 410.521 1.627 30 10 HDEE C#Cc1cncc(C(=O)Nc2c(NCc3ccccc3)c(O)nc(=O)n2CCOC)c1 1143450748 SMMAXFBPDONVEI-UHFFFAOYSA-N 419.441 1.836 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nc(C(N)=O)cs2)C1 1147810990 QYURIVUNEAHDQG-UHFFFAOYSA-N 420.292 1.629 30 10 HDEE CC(C)(CO)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 1156865249 AOJLSCQRQSEKIQ-IBGZPJMESA-N 401.488 1.713 30 10 HDEE C#CC[C@]1(C(=O)N2CCC3(CC2)CNC(=O)N3C)CCCN1C(=O)OC(C)(C)C 1162718792 QQUAQWWYGPFHCT-OAQYLSRUSA-N 404.511 1.796 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 1164160534 JNHOXICNKCQXLK-QGZVFWFLSA-N 415.471 1.311 30 10 HDEE COc1ccccc1[C@H]1CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CCO1 1175428522 XVGCHYYICBIEHD-PZJWPPBQSA-N 400.523 1.761 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](CCSC)NC(=O)COc2ccccc2)C1 1177755182 YTJIUDHADIXTPE-MJGOQNOKSA-N 403.548 1.517 30 10 HDEE CN1C(=O)c2ccc(NC(=O)Cn3c(C(F)(F)F)ccc(C#N)c3=O)cc2C1=O 1189987512 LTJCGBBVCKKNTM-UHFFFAOYSA-N 404.304 1.603 30 10 HDEE C#CCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)cn1 1192327588 GOKCXDLMPZFQPK-GOSISDBHSA-N 420.922 1.894 30 10 HDEE COC(=O)[C@]1(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CCOC1 1210679215 ALMOABDCYHCVEA-ZDUSSCGKSA-N 407.217 1.070 30 10 HDEE CN(C)CCCN(C)CCNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226112531 QMRACZQJKAIRNA-IBGZPJMESA-N 400.527 1.236 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1234940112 OPGVNKNFTWODCX-UHFFFAOYSA-N 409.508 1.124 30 10 HDEE C#CCN(C(=O)N[C@H](C)Cc1c(OC)cc(OC)cc1OC)[C@H]1CCS(=O)(=O)C1 1251214166 CBMRURQQSNHGOB-CABCVRRESA-N 424.519 1.475 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)C1 1255363664 MSPJOHKZFZUKKL-KRWDZBQOSA-N 407.522 1.137 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)N3CCC[C@@](C)(C#N)C3)CC2=O)C1 1256121847 AGGDJADLWHAWCQ-VLIAUNLRSA-N 405.499 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(=O)(=O)CC 1286277505 DKRMHUNQHBXYFY-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CC[C@@H](C)C2)CC1 1286485258 GZWJTWXDTHGOES-IAGOWNOFSA-N 414.554 1.818 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCOCC1 1286570339 VNZFIGJQXUABGY-NRFANRHFSA-N 421.542 1.615 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O 1286583851 RTFHRXCSVYXZMC-INIZCTEOSA-N 409.556 1.770 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2oncc2C1 1286600441 MZWZWBMNVVUQJE-ZDUSSCGKSA-N 410.500 1.032 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(C)C)CC1 1286606246 KLMPQSZKQLXETK-MRXNPFEDSA-N 404.515 1.127 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NCC(F)F)CC1 1286636898 NDRZTMVKTVJENS-UHFFFAOYSA-N 405.409 1.463 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCSC1 1286727533 SRKNAGKJIIIUPT-CABCVRRESA-N 415.585 1.376 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)nn(C)c2C)C1 1286799010 QRIXJAJGKOJCIF-KRWDZBQOSA-N 413.526 1.694 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1286966518 ABJAKPAPSDBWGK-DOTOQJQBSA-N 421.567 1.983 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cccc(C#N)c1 1297699157 BZEVLRNCVPNDDD-UHFFFAOYSA-N 411.491 1.678 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 1298064984 DQBZWSHQHLFEHU-LJAQVGFWSA-N 422.551 1.649 30 10 HDEE C#C[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1300007612 LATFLDVZUQBKNX-ZBFHGGJFSA-N 402.472 1.496 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1C 1300557255 RLAJLNRUVKCSFC-SFHVURJKSA-N 413.547 1.902 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1300631920 YEODEVIPJNETGT-CQSZACIVSA-N 416.532 1.693 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCn1cnc2ccccc21 1300666430 YVHVYRZDFZFLEY-QGZVFWFLSA-N 407.478 1.365 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC[C@@H]2CC)CC1 1300682995 USRVUOYUPKRWPC-IBGZPJMESA-N 415.586 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C2CC2)CC1 1300715750 CJKHCEXVEOUSDY-OAQYLSRUSA-N 401.511 1.619 30 10 HDEE C=CCCOCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1301253514 ZXSGIVASMDGCKD-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1301314294 SGGLQYQXSIKNAZ-GDBMZVCRSA-N 424.571 1.302 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(CCOc2ccccc2)CC1 1301477786 FINOSLMJSZWVEQ-UHFFFAOYSA-N 412.538 1.905 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnccc2OC)C1 1301536288 UGRATVYYPMKHHO-INIZCTEOSA-N 400.483 1.650 30 10 HDEE N#CC1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1303000136 AZUPVKPQIYWHJJ-HNNXBMFYSA-N 401.496 1.300 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CC(=O)Nc2ccc(F)cc2)CCO1 1303003061 BPGUGLOQRVJIIE-CZUORRHYSA-N 400.414 1.289 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC[C@H]2COCCO2)CCOC1 1303475458 GFRHADLRPOZCJF-ABSDTBQOSA-N 407.515 1.863 30 10 HDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1306763165 VFVBKOULBZFYPT-GOSISDBHSA-N 412.494 1.585 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC[C@@H]2CCCS2(=O)=O)C1 1312469789 QXTRJHJWENUVJQ-IHRRRGAJSA-N 400.501 1.012 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)C2 1313190799 NVFLWSRWEWKEIQ-FCHUYYIVSA-N 418.497 1.795 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(OC)nc2)CCOC1 1314111470 DIDRSTMXIMNPPZ-PMACEKPBSA-N 416.457 1.824 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccnc1OC 1316285253 NVHJOFBBGLMJQI-FTRWYGJKSA-N 416.457 1.896 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCOC2=O)CCO1 1316541353 XHPDSVZEQDWYRI-HNNXBMFYSA-N 402.480 1.501 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)c1 1351841003 FGONSMJJDNTISR-UHFFFAOYSA-N 423.469 1.564 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccnc(-n3ccc([N+](=O)[O-])n3)c2)c1 1358186233 LJXJIRCLTZTGJL-UHFFFAOYSA-N 404.386 1.550 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1358898829 BBXZLGJOVRGITE-ZFWWWQNUSA-N 414.441 1.442 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OCCOC)C1 1358913261 JOJZCFOAKPWANE-MSOLQXFVSA-N 424.567 1.616 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1358930578 YATGCCKLQABGQJ-XHSDSOJGSA-N 407.540 1.117 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1nncn1CC 1358954312 DCUSARCCCATAGM-GASCZTMLSA-N 414.514 1.778 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1ccco1)N(C)C 1358976595 JTZSZIAWUXKDJJ-QGZVFWFLSA-N 420.473 1.975 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC 1359007386 HTIFLSBVTCRYLR-UHFFFAOYSA-N 407.478 1.271 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ncnn1-c1ccccc1 1359465436 CDZHDHSVFBYMKX-HNNXBMFYSA-N 407.482 1.641 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccsc3)n2CC(=O)N2CCOCC2)CC1 1360790592 CGKGCWWDJGOTIU-UHFFFAOYSA-N 414.535 1.919 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)C1 1438684806 NPBLUOWMTRERBS-KRWDZBQOSA-N 401.492 1.803 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)NCC(C)C)c1cc[nH]n1 1440869129 IFISEMMSTSBMFJ-UHFFFAOYSA-N 415.450 1.718 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)cc1 1443060788 SIRFEAXXARPMML-BQYQJAHWSA-N 407.474 1.379 30 10 HDEE CCN(Cc1cc(Br)ccc1O)C(=O)CCn1cc(C#N)c(O)nc1=O 1445654615 NVCTVRYUKZPGLR-UHFFFAOYSA-N 421.251 1.727 30 10 HDEE C[C@@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS1(=O)=O 1447651012 NEBFGCPIWQPGSD-HUUCEWRRSA-N 401.529 1.999 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1cccc(I)c1=O 1459152285 TXQKIEUXLXAMIN-UHFFFAOYSA-N 418.190 1.753 30 10 HDEE N#Cc1cccc(NC(=O)c2cc(I)ccc2-n2cnnn2)n1 1461141492 UFWFKJAPBYSFBY-UHFFFAOYSA-N 417.170 1.786 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cn1 1462131019 YDTSFPCDDUHCJT-UHFFFAOYSA-N 400.460 1.760 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@H](C#N)C1CCCCC1 1465505057 HMWDMBUSUOHYCI-LSDHHAIUSA-N 401.529 1.903 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nnn(-c3ccc(F)cc3)c2C(F)(F)F)CC1 1465872154 DEVIPWGMTRLQLP-UHFFFAOYSA-N 410.331 1.623 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2cc(C(=O)N[C@@H]3CCCN(O)C3=O)on2)CC1 1468451533 AHXOOFMJVNDCSN-CYBMUJFWSA-N 408.455 1.899 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2cccnc2c1O 1469253731 VBACLBOSKYVJSD-UHFFFAOYSA-N 410.455 1.685 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CC2)nc1 1470340649 LOMVGUVQYOSCPY-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)C[C@@H](O)c1cccc(C#N)c1 1473620842 QSYODGIYCYSNTQ-LJQANCHMSA-N 410.474 1.595 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3cccc4nc(O)[nH]c34)CC2)nc1 1473818947 BDSCRRYLUUEEBX-UHFFFAOYSA-N 412.475 1.131 30 10 HDEE C#Cc1cccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c1 1476029853 NSPYXJJFPDULEZ-UHFFFAOYSA-N 412.515 1.926 30 10 HDEE CC(C)c1ccc(O[C@H](C)CNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1478608635 ZNURPKNMFJEGJX-CQSZACIVSA-N 411.462 1.978 30 10 HDEE C#C[C@H](NC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC)c1ccc(Br)cc1 1478896654 QAIDLFWCQZNPKI-XUJVJEKNSA-N 424.295 1.879 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493950108 IKXOTTMQOWQTJR-YESIBHTGSA-N 400.483 1.892 30 10 HDEE CCOCCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1503176791 LVMKXUQJADEDBW-PXNSSMCTSA-N 407.515 1.864 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1503366567 BOSCQUUGLBGYFR-HZPDHXFCSA-N 410.434 1.409 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCNS(C)(=O)=O 1503464465 UAWSKLGSPDFPQJ-MRXNPFEDSA-N 404.496 1.187 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1503802028 PQTDALBERZIGPP-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOC1 1504050911 DZEHEAPYZLTWNM-APWZRJJASA-N 423.539 1.116 30 10 HDEE COC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504689694 PCPVQNABMHACAS-HYEKCJMVSA-N 402.499 1.575 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@@H]43)n2CCOCCCO)cc1 1505317806 PXMYKXLJRPFKQQ-OALUTQOASA-N 424.505 1.463 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 1505324989 QGKFDCJYZWBFJY-KRWDZBQOSA-N 405.524 1.657 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1507617511 VBOOBDPEOXITOL-LBPRGKRZSA-N 408.553 1.447 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507622704 LDBKCNHBUIPXBT-SOLBZPMBSA-N 407.584 1.901 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCCn2cc(C)nc21)[C@H]1CCS(=O)(=O)C1 1507626111 MVVZFYAWSCHMHZ-SJORKVTESA-N 402.524 1.296 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1507630210 USNQSFVUCVFWPQ-MJGOQNOKSA-N 414.531 1.998 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)NCc1ccco1 1507644521 JWXCHGZZXSFLHY-UHFFFAOYSA-N 408.849 1.976 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN1CCOC(C)(C)C1 1507657328 WAQROWUBDHEOLO-UHFFFAOYSA-N 412.563 1.817 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1507832157 PPROUKQSKJYPKM-VLIAUNLRSA-N 402.499 1.563 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1507836183 ZQXGLGLJCYJESN-QGZVFWFLSA-N 421.542 1.783 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1507843924 YMSOWKVLRZVBIL-HZPDHXFCSA-N 415.498 1.897 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)on1 1507955368 XQPBGRDWLDSAQZ-INIZCTEOSA-N 424.527 1.510 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1=CCCOC1 1508040813 BHBUNLNDAMFCLS-UHFFFAOYSA-N 401.467 1.991 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1508088469 GMQGKPALPVSRBU-CVEARBPZSA-N 402.499 1.023 30 10 HDEE C=CCOc1ccc(Cn2c(COCC)nnc2N2CCO[C@@H](C(=O)NC)C2)cc1 1508105315 QFDXNIPEEQRPEF-GOSISDBHSA-N 415.494 1.379 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1508107292 ZHELSTYOXBFLOO-QGZVFWFLSA-N 405.524 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2CCOC[C@@H]2C1 1508142378 CPOUKULTMFNWMN-SFHVURJKSA-N 423.583 1.132 30 10 HDEE CCOc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnn(C)c2)cc1OC 1516275475 DGUNPLLSUTYCLJ-KRWDZBQOSA-N 423.477 1.863 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1516863732 SABKZZNXONPGQF-ACSYHNTCSA-N 412.519 1.302 30 10 HDEE COC[C@H](F)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1518750780 PNAVPYDGKYZQLV-MRXNPFEDSA-N 423.456 1.313 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1OCCC1(C)C 1519451333 WFFLOGCVUNVRLX-NXOAAHMSSA-N 405.499 1.546 30 10 HDEE C[C@@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2nccn21 1526017104 HOXMPJMCWMLVFV-KDOFPFPSSA-N 413.503 1.978 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccn(C4CCOCC4)n3)C2=O)cc1 1532989301 BSNZEAQUOYQLDZ-QGZVFWFLSA-N 422.445 1.950 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)C(=O)OCC 1535091304 ODLMRUUGQOBWCL-QRWLVFNGSA-N 419.865 1.570 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@](C(N)=O)(c2ccccc2)C1 1536239837 ANEYSANSVHWYOB-HSZRJFAPSA-N 416.485 1.806 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ccnc(-c3ccccn3)n2)cc1 1536950841 MSDPJMHIYYVAPM-UHFFFAOYSA-N 422.470 1.661 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539119759 MXWNAOIASQELES-MSOLQXFVSA-N 402.543 1.232 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1539186362 FOMHGCNJDFENTK-UHFFFAOYSA-N 400.508 1.311 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539202601 JSZSELBHEDAKKE-RIDFSIMASA-N 412.581 1.329 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2N(C)C)CC1 1539447105 OCOIQIUBIMPUCN-GOSISDBHSA-N 409.538 1.437 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC=CCC2)CC1 1539459817 OTNYLVNFTSZNAQ-UHFFFAOYSA-N 408.554 1.157 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCN(CC)C2)CC1 1539476031 QZYDJVFRAZWLHR-GOSISDBHSA-N 421.549 1.648 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539977030 IINCRQUDDPLJJK-ROUUACIJSA-N 402.543 1.637 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](C(=O)NC)C1 1540866464 OAAXHCRVNIACQY-AWEZNQCLSA-N 417.901 1.258 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2NC(=O)CC2(C)C)C1 1540881462 JTCPKULKNGFYDC-HZPDHXFCSA-N 416.526 1.210 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1541115857 GDVVLQIZFSINKM-FQELHTAISA-N 412.494 1.453 30 10 HDEE CN(C1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1542399033 NJYZNNPLGNKVGC-HNNXBMFYSA-N 416.544 1.456 30 10 HDEE Cc1ccc(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2nnn(C)n2)cc1 1542471745 DOQRXDQWCCJDOV-HXUWFJFHSA-N 407.482 1.867 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1554577217 GJLQFPKZGKKFET-FUHWJXTLSA-N 424.505 1.869 30 10 HDEE COCCOCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1555714766 IAWJIYIISWERPT-UZLBHIALSA-N 404.515 1.802 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)[C@@H](CC(C)C)C(N)=O 1558084032 KDBPOGNWLHEIIK-CVEARBPZSA-N 422.551 1.642 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1558231777 ZOEIXSHXHLMVSJ-IAGOWNOFSA-N 419.352 1.801 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3cc(Cl)cc(Br)c3C2)c(=O)nc1O 1558540277 FGSMUQXLYHMQHA-UHFFFAOYSA-N 423.654 1.821 30 10 HDEE COC(=O)C1(O)CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1561387253 GTMRIVVDDOZLLD-UHFFFAOYSA-N 403.254 1.009 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1561841415 BSCVWZVHEBVWBP-UHFFFAOYSA-N 407.286 1.426 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1F)[C@H](C)O 1583563041 NQTIOTUYSLTMRE-LXIYXOSZSA-N 405.451 1.602 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1587673312 MYDQJLQRTFIELS-QGZVFWFLSA-N 417.535 1.659 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@]1(C)COCCO1 1587974856 CUIYKEMWRYTGMS-JOCHJYFZSA-N 422.489 1.550 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588064537 JYOWBDCPINMNQK-KBAYOESNSA-N 406.552 1.672 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@](C)(O)c1ccsc1 1588078474 IAFJDPKKVZTJRO-NRFANRHFSA-N 420.498 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N1CCC[C@H](C)C1 1588559627 IXZCPXZTUOZDTA-ZWKOTPCHSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2COc3ccccc32)CC1 1588733613 WLSVUOHYCNLSDE-QGZVFWFLSA-N 408.506 1.348 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2[C@@H]2C[C@H]2CCC)CC1 1588884686 KLBSVBSCBCHLKJ-QZTJIDSGSA-N 412.538 1.841 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1589216882 ZXYHWURKMASFED-CSODHUTKSA-N 401.511 1.269 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1594807448 OYHLALKZRZKOCO-IRXDYDNUSA-N 404.515 1.127 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1595100730 SIETYCHPRTZQAN-REWPJTCUSA-N 422.533 1.913 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@H](C)CS(C)(=O)=O 1595556563 XTYUKZGBFZYQJG-MRXNPFEDSA-N 419.551 1.349 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](C(=O)OC)C1 1595569303 DPJAIKHDXDVNTH-INIZCTEOSA-N 413.478 1.201 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCCC2)C1 1595755366 WXWUPIWGHPWGDO-FHWLQOOXSA-N 405.543 1.879 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2CC)nnc1N1CCOCC1 1595823550 PBMUUZTUHNKELQ-UHFFFAOYSA-N 420.535 1.857 30 10 HDEE CCS(=O)(=O)NCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1598388347 RZBYZFFQWSUVQV-ZDUSSCGKSA-N 412.899 1.010 30 10 HDEE O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)c1cccc(C#CCO)c1 1610890304 HRZRKGFSYLPFKK-UHFFFAOYSA-N 416.455 1.009 30 10 HDEE C#CCN(C(=O)c1cc(OC)c(OCCOC)cc1[N+](=O)[O-])C1CCN(C)CC1 1611145402 MVKSHEJXAGTJNF-UHFFFAOYSA-N 405.451 1.798 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCOC2)CC1 1611772392 TYTABJJDPSMFGJ-CVEARBPZSA-N 407.540 1.737 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)c2cc(=O)n(-c3nc(C)cc(C)n3)[nH]2)c1OC 1616488748 RYSLCDDZJNBAQH-OAHLLOKOSA-N 408.418 1.584 30 10 HDEE CN(OC1CCCC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1618370914 FDRIEJHJYOKHNA-RMYFCYLKSA-N 416.482 1.619 30 10 HDEE C#CCN(CC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1O)C(=O)OC(C)(C)C 1623644298 NQOSGTDSPUEPNN-KGLIPLIRSA-N 404.467 1.737 30 10 HDEE CN(C)c1cc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)ncc1Br 1624252634 HGZLLIFIGXEETJ-FOCLMDBBSA-N 408.256 1.765 30 10 HDEE C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1624548007 GAZQESHDUQHACA-MRXNPFEDSA-N 409.490 1.901 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](CO)c1ccc(Cl)cc1)c1cc[nH]n1 1624735994 FXJFLBZCYBZQNZ-HNNXBMFYSA-N 408.842 1.539 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3csc(COc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1626655502 GBXZQOIEQUANKG-LIRRHRJNSA-N 417.512 1.661 30 10 HDEE CN(CC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)S(=O)(=O)c1cccnc1 1626962671 LOSUTGFQJVATNX-SFHVURJKSA-N 400.460 1.174 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2CCOc3ccc(Br)cc32)CC1 1626966520 FYQIMDKJQBKMJN-OAHLLOKOSA-N 420.307 1.209 30 10 HDEE CCOCCN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1628524850 NIQYDHPPKSULNX-MRXNPFEDSA-N 404.898 1.745 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 1629301447 HUJMTFTUCRPQBD-QIIPPGSGSA-N 419.576 1.994 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccccc2N2CCOCC2)c1 1631706157 CIIAAZVTJZBUNQ-UHFFFAOYSA-N 417.462 1.890 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1633498117 CJJVWIUCUWEQEV-HNNXBMFYSA-N 423.498 1.898 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCc2ccc(C(=O)NO)cc2)C1=O 1634104608 BUTBCAPCCNPTCI-OAHLLOKOSA-N 405.451 1.002 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1CCNC(=O)OC(C)(C)C 1634814354 QGSQGDDMMBJPAG-NOJWBWKLSA-N 420.510 1.912 30 10 HDEE C#CCN(C)CCCNC(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O 1635737975 CNIJEEHQODHLQX-MRXNPFEDSA-N 407.312 1.957 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1636352014 AMWUFDNPDKHJKJ-LLVKDONJSA-N 415.880 1.922 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccncc1Br)c1cc[nH]n1 1637386997 SNCQGYATKFBELA-SNVBAGLBSA-N 424.255 1.728 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC[C@@H](NC(=O)N(C)C)C3)ccc2c1=O 1638944929 AJNXZPNPJZWPDY-CQSZACIVSA-N 415.519 1.747 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CC[C@H](C)S(=O)(=O)C3)ccc2c1=O 1639977543 PVMOXYABULCOFE-WCQYABFASA-N 407.517 1.567 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@]3(O)C[C@H]4C=C[C@H]3C4)CC2)cc1 1640061920 BXCVEWHCTFDOQD-DJPFJPOOSA-N 415.515 1.402 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](C3CC3)C3(CO)CCOCC3)CC2)o1 1640307952 BJSVTZHZHIKBFJ-SFHVURJKSA-N 402.495 1.755 30 10 HDEE C#CC[C@@]1(C(=O)NCC(C)(C)CS(N)(=O)=O)CCCN1C(=O)OC(C)(C)C 1642796007 ZEDUHSMJVKBQOR-SFHVURJKSA-N 401.529 1.210 30 10 HDEE N#Cc1c(NC(=O)CCN2CCO[C@@]3(CCS(=O)(=O)C3)C2)sc2c1CCC2 1643574025 ZYNATYPWDGYAKL-SFHVURJKSA-N 409.533 1.327 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c(F)c1 1644133550 BQBMUOHHWDLRRS-UHFFFAOYSA-N 416.409 1.310 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1644636538 FSJJLIOAUSXSNA-DOXZYTNZSA-N 418.544 1.747 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccnn3C3CCOCC3)C2=O)cc1 1648482984 CTDNBBPEHIOJDL-KRWDZBQOSA-N 422.445 1.950 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H]([C@H]2CCOC2)C1 1648563588 ZNDZFPQLSBNKCR-HOTGVXAUSA-N 405.520 1.780 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cn2ncc3cccnc32)c(=O)c1C#N 1648750389 RFWAHJDLSQMTSL-UHFFFAOYSA-N 401.224 1.614 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)N1CCN(CCC#N)CC1 1648963219 QCVXKJUGJBRAKN-LXTVHRRPSA-N 412.412 1.030 30 10 HDEE N#Cc1cn(CC(=O)c2ccc3c(c2)CCN3C=O)nc1I 1652061193 TWNLKNPSPZOIIR-UHFFFAOYSA-N 406.183 1.761 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCN(c3ccsc3C#N)CC2)CC1 1654225767 FKHNXUKWAJRLKI-SFHVURJKSA-N 400.552 1.434 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC3(CC2)C[C@@H](O)CNC3=O)sc2c1CCC2 1655776548 SLWUHFZYJYOAPK-CYBMUJFWSA-N 402.520 1.400 30 10 HDEE COCC[C@@H](CN1CCN(c2nccnc2C#N)C[C@H]1C)NC(=O)OC(C)(C)C 1659019140 FEVMMKVHHGLVRV-CVEARBPZSA-N 404.515 1.789 30 10 HDEE C=CC[C@H]1CCCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 1659151030 VICRPUPVWMJKRV-INIZCTEOSA-N 407.540 1.983 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NN1CCS(=O)(=O)CC1 1662577097 JABOTLPAYLSDSH-UHFFFAOYSA-N 404.286 1.781 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](CNC(=O)NC)C2)cc1 1668389001 DNIBOUIBGHECTR-GOSISDBHSA-N 415.494 1.663 30 10 HDEE CO[C@H](Cc1ccccc1)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1668498156 ACFVVWSRRRNJAY-KZNAEPCWSA-N 423.535 1.923 30 10 HDEE C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(-c2ccncc2)cc1 1678515611 GCEFOVYKRPSAGR-AWEZNQCLSA-N 404.430 1.943 30 10 HDEE CN(CCNC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)S(=O)(=O)c1ccc(F)cc1 1681847972 KJKYZUIOMDSXRF-GOSISDBHSA-N 416.478 1.784 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)C1 1685177205 NSWXNLLIWGUOQZ-WISAJEAXSA-N 413.503 1.515 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C(F)(F)C12CCC2 1689826594 RBPIBUMCYLRDEH-RWMBFGLXSA-N 401.483 1.782 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ncnn1-c1ccccc1 1690029838 JTOMUROSMYUGGN-UHFFFAOYSA-N 416.489 1.508 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H](C2CC2)N(C)C)CC1 1690152519 OAYOUYYUQWAJQX-GOSISDBHSA-N 402.543 1.121 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1690484739 CHNUGLQABQDYER-UONOGXRCSA-N 404.558 1.016 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1690672274 NHQVLJVNPLVVIL-KRWDZBQOSA-N 401.515 1.189 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CC(=O)N1C 1693784480 KSHXJAJXUJRKMN-YJBOKZPZSA-N 410.478 1.289 30 10 HDEE CCCN(CCC)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1695334063 CRTHKGVDJUXYMT-IAGOWNOFSA-N 403.531 1.470 30 10 HDEE CCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1695891061 RMPJHDUHAKIICS-ZBBYCGENSA-N 415.542 1.533 30 10 HDEE CCOCc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1696334150 GXIZQQGBHSHVBU-UHFFFAOYSA-N 400.483 1.629 30 10 HDEE CN(CC1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1696768082 HVNZKMGTSCRAJH-UHFFFAOYSA-N 424.505 1.538 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1696999403 FCVKVFVFCUJLMU-SFHVURJKSA-N 423.521 1.111 30 10 HDEE COC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1697883746 SDNIXARVFRTXAB-BBRMVZONSA-N 402.455 1.169 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1705504415 VTIJHIMDCPIZHZ-HRCADAONSA-N 414.514 1.798 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@H]2CCC(=O)N2)c1 1705506740 HHDBQKQSZMMUPE-GOSISDBHSA-N 406.490 1.880 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1705534078 YLYNTEXDAVWMAD-PMACEKPBSA-N 422.533 1.498 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1CC1(N2CCOCC2)CC(OCC)C1 1705596051 QKGYFGCCPHVFKE-UHFFFAOYSA-N 411.550 1.888 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1705660151 OFGMIXZZOZOZJU-KRWDZBQOSA-N 420.583 1.144 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(C)(C)C)CC1 1705660238 QGBMSVKBCFMRHJ-MRXNPFEDSA-N 404.584 1.906 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CC1(c2ccccc2)CC1 1705893810 HCJZDUBLOMSENM-UHFFFAOYSA-N 422.533 1.984 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1705894895 NPWXUMQBJBYLCN-SJORKVTESA-N 418.542 1.647 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705905889 KUMCHGUDGHLOJB-IBGZPJMESA-N 402.524 1.195 30 10 HDEE CCCNC(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1709851414 REODSAYSEMLVAG-OAQYLSRUSA-N 418.542 1.975 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](C(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710704213 BVFJZRMRLYJPLP-DOXHGZAWSA-N 424.452 1.823 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCCCN1C1CC1 1712567962 YESUBPOMXSTDFL-NEWSRXKRSA-N 418.542 1.748 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722332232 GRMGJYLYYWHGNT-IRXDYDNUSA-N 415.519 1.646 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)N2CCCCC2)cc1 1722353546 QFOZSVTYFSMZBB-LJQANCHMSA-N 420.517 1.973 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722396308 XPCYQICRUCSZFL-INIZCTEOSA-N 400.508 1.018 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722461864 IFNBDJDSTUXSHG-MSOLQXFVSA-N 418.567 1.746 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1722553337 OJBLOCCSBKJXPU-WIYYLYMNSA-N 405.543 1.665 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)CC1 1722566603 VLFUQKRRBMJDLW-HZPDHXFCSA-N 409.556 1.641 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1722567363 VVBWTHJCIRKXMZ-UHFFFAOYSA-N 405.524 1.583 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2nc3ccccc3o2)CC1 1722723736 DCLJSRBKYOPJRG-UHFFFAOYSA-N 416.507 1.655 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CCN1CCOCC1 1722727823 ROLCQGLOLZLONB-UHFFFAOYSA-N 411.572 1.305 30 10 HDEE CC(=O)NCCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1722853026 MPMXRYLKUXFVGR-UHFFFAOYSA-N 418.461 1.401 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)NC(C)(C)C 1723783202 CMVIDOBBBJMJGX-CQSZACIVSA-N 411.510 1.822 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCc1cnn(C)c1 1727648868 FAEKOYZGSUFLHQ-IBGZPJMESA-N 418.505 1.898 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1730731191 FATBJVPIALROJK-JOCHJYFZSA-N 423.521 1.254 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1740791574 LPNSAVYOQCNJAI-KRWDZBQOSA-N 420.539 1.451 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)C1 1740982661 VPQLSRJYVUQBGY-YESZJQIVSA-N 410.540 1.388 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1741004743 LGPPQSCJOCSHDC-BEFAXECRSA-N 409.556 1.551 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCC(=O)N1 1741125346 KBIIQKXSEGFYAO-ZYHUDNBSSA-N 406.288 1.910 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1741710520 CTITZLIRWUAIMZ-MRXNPFEDSA-N 410.544 1.240 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC(F)F)cs1 1742577006 BADOFPUINXXFJT-MRXNPFEDSA-N 413.429 1.457 30 10 HDEE CCC[C@@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)OC 1745276621 XWRHEEDSXOVNLC-UONOGXRCSA-N 402.455 1.550 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCOCC(C)C)[C@@H]1CCS(=O)(=O)C1 1748818077 VGDPAQBHQUIBMT-QZTJIDSGSA-N 424.567 1.471 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC1(O)CCOCC1 1749589750 FRYDLYQFJDQBTN-UHFFFAOYSA-N 407.515 1.085 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749663616 KTJQIQZOKMYCNN-INIZCTEOSA-N 412.494 1.417 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1751279727 LNGZNQZPOMAMSW-HNNXBMFYSA-N 408.466 1.458 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H](C)CN1CCOCC1 1760174088 DKXVKUGMCKYPCD-XLIONFOSSA-N 411.506 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CCC(=O)N1CCCCC1 1760250231 GVRVLFNNSIAQSD-UHFFFAOYSA-N 410.522 1.753 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nc(C)c(C)s2)CC1 1760256120 CTRHDEHFXDZDNP-MRXNPFEDSA-N 418.567 1.879 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2ncn(C)n2)CC1 1760261819 WXKVRXNSXVGWOG-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@](C)(O)[C@H](C)CC)CC1 1760272063 XDMDRWHZWZMJJW-ZHRRBRCNSA-N 401.555 1.994 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1 1760451032 YKAUISHKOKPHNX-MRXNPFEDSA-N 408.528 1.143 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1 1760533955 XJWDEJMOYVXPLU-KRWDZBQOSA-N 418.519 1.630 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1C 1760548623 LYYFSGIKTLRPLH-CABCVRRESA-N 418.523 1.761 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](C)C1 1760564739 GJALZXLCXGLOPD-HOTGVXAUSA-N 408.572 1.305 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@@H]2C)CCOC1 1761291538 LSSSODNZKIGAPB-WAOWUJCRSA-N 418.542 1.532 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1761551846 QMBFYDAOEJBUEK-IRXDYDNUSA-N 405.462 1.460 30 10 HDEE CCc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764844037 IOOUGDJVAUXCGY-JJCXBQPYSA-N 402.524 1.700 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)N(C)C 1766089607 GUKVURKVLDDGGC-HNNXBMFYSA-N 414.466 1.073 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCC(C#N)CC2)C1 1769059639 IFRAFCULZOJDOK-FQEVSTJZSA-N 411.466 1.660 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@@H]2CCOC2)CCO1 1771537014 GJFFBNPEVARQJL-HKUYNNGSSA-N 412.494 1.436 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1 1850062114 RCYGMPXTFBARAY-HXUWFJFHSA-N 421.538 1.974 30 10 HDEE COc1ccc(C(=O)c2ccc(CC(=O)NCC#CCN3CCOCC3)s2)cc1 1851457240 NVXVKNJOLYAHNR-UHFFFAOYSA-N 412.511 1.982 30 10 HDEE Cn1nc(C(F)(F)F)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851907952 KEUDBTUIMNWBPT-UHFFFAOYSA-N 408.384 1.685 30 10 HDEE C[C@@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)n1nc(C2CC2)ccc1=O 1852261222 JKVUIQMMCJJQGA-INIZCTEOSA-N 422.489 1.314 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@@H]2Cc3ccccc3C(=O)O2)CC1 1852670417 YVXHSIXHYMLPRT-IBGZPJMESA-N 406.442 1.400 30 10 HDEE N#Cc1ccc([C@H](CC(=O)N[C@H]2CCS(=O)(=O)C2)N2Cc3ccccc3C2=O)cc1 1852784589 YVNUKVPCXRZQDQ-ICSRJNTNSA-N 423.494 1.949 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)s3)C(C)(C)C2=O)CC1 1853697677 IATFELKJJPQRJJ-UHFFFAOYSA-N 402.520 1.828 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn3c2CCCC3)C1=O 1854098259 GVKLNVSHORUKNG-RTBURBONSA-N 413.522 1.459 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(OCC(C)C)nc2)C1=O 1854209280 GKMNPUBJYZFTFU-ROUUACIJSA-N 414.506 1.576 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854420949 CVUVQYQNNLKZLW-UHFFFAOYSA-N 405.476 1.075 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cn(-c3ccncc3)nn2)C(=O)C12CCCC2 1854465571 RLEURXNVUHLFMU-MRXNPFEDSA-N 407.478 1.952 30 10 HDEE C=C(C)CN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)C1 1854489280 FSUCHIREUZZRRE-KRWDZBQOSA-N 422.551 1.039 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1854675626 IBSNLVYGQHGBCJ-SWLSCSKDSA-N 408.380 1.394 30 10 HDEE COCc1cc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)n(C)c1 1854946331 AAFMRBSUWQNAGO-FUHWJXTLSA-N 401.511 1.222 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)CCC(=O)c3ccc(Cl)cc3)C(=O)C2)C1 1855019292 MIQAQXULFFXKCW-SFHVURJKSA-N 416.909 1.962 30 10 HDEE C=C1CCCN(C[C@@H]2CCC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1855083460 PICGTROOHLHDDS-ROUUACIJSA-N 401.511 1.736 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCCN([C@H]4CCOC4)CC3)C2=O)cc1C#N 1855320579 IEDDXTOGHDEVLO-LEWJYISDSA-N 410.518 1.795 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC[C@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1855427722 VDPXFUWZFCRYRT-LPHOPBHVSA-N 417.531 1.897 30 10 HDEE CCOc1ccc(CC(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)cc1 1855744077 XIYANSBTDWXTCW-UHFFFAOYSA-N 413.455 1.861 30 10 HDEE C[C@H](C(=O)N1C[C@@H](C2CCN(Cc3ccc(C#N)cc3)CC2)CC1=O)n1cncn1 1855747634 VJAGMYFDHKOBHX-UZLBHIALSA-N 406.490 1.998 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@H](COc4cnccn4)C3)C2=O)cc1 1856454107 XDQHTTAPDMZIBC-HKUYNNGSSA-N 405.458 1.880 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cn(C4CCSCC4)nn3)C(=O)C2)C1 1856839230 BDXOSLVWIDWAJJ-QGZVFWFLSA-N 418.567 1.281 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)c1 1856954698 XQUTXTWLTMBODE-OALUTQOASA-N 412.490 1.456 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1F 1857112266 VEFRFJMBJZLPFS-QGZVFWFLSA-N 410.405 1.605 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C(C)C)CC3)ccc21 1857152998 FVDURHNJSXAWTR-UHFFFAOYSA-N 405.520 1.783 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@H]1CCN(C)C1=O 1857226247 WXOHVQLNGGSGBH-SJORKVTESA-N 401.511 1.480 30 10 HDEE C=CCn1cc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(=O)cc1CN(C)CCO 1870397948 ZYSAFMLTGVRJRW-UHFFFAOYSA-N 416.434 1.384 30 10 HDEE C#CCOc1cn(C[C@H](C)O)c(CN2CCN(c3ccc(OC)cc3)CC2)cc1=O 1870562287 YXHJGMRIVOSLIJ-SFHVURJKSA-N 411.502 1.572 30 10 HDEE CCOc1cc(/C=N/n2cnnc2SCCO)ccc1OCC(=O)N(CC)CC 1874541153 NSTFEUHKWQBFQY-CIAFOILYSA-N 421.523 1.891 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN=c1[nH]c(Cl)nc2c1S(=O)(=O)CC2 1888167899 GXEXCJBJKJDBGX-UHFFFAOYSA-N 402.904 1.765 30 10 HDEE Cc1cc(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)nc(N2CCOCC2)n1 1890105032 GKGOHXGHSDRTTG-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)C1 1891889634 PZHMRJSRNCEGNE-AWEZNQCLSA-N 406.402 1.235 30 10 HDEE CC#CCN(CC(=O)O)C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1900633509 VOMLQMYBIUMHBJ-SFHVURJKSA-N 417.506 1.948 30 10 HDEE Cn1nc(Br)cc1S(=O)(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1924400610 NHDMWPUUTUJRHE-UHFFFAOYSA-N 420.138 1.895 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010400488 YNUKKVZTUOLWHF-RWMBFGLXSA-N 423.319 1.306 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)[nH]1 2069517044 KWDVJVTYBUPOQQ-SUMWQHHRSA-N 403.446 1.876 30 10 HDEE N#Cc1ccc(C[S@@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2074698609 ITTPOTOEHBVDFR-HPGBDJQBSA-N 401.444 1.972 30 10 HDEE C#CCN(C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F)[C@@H]1CCS(=O)(=O)C1 2180116811 FCPPMUHXMLLGHO-RBSFLKMASA-N 402.488 1.230 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384101 KBIUFTZXPOSKNO-NEPJUHHUSA-N 408.308 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243430518 SDXMQJPZCZUULE-HXUWFJFHSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)[C@H]21 2243686026 GKCOJJLECHWHST-RBSFLKMASA-N 408.304 1.925 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778562 DMMNIXCRJBPLNZ-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC1(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247858502 NMAUBRUZNWUHNN-UHFFFAOYSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2247923059 RWSCCBKLWGRZTP-UHFFFAOYSA-N 418.303 1.469 30 10 HDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270534875 IXDKDOHFNFJANF-ROUUACIJSA-N 422.503 1.677 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(C)CCNC3)cc2Cl)OC1(C)C 2282304255 IHGXUHHUBBJKLG-MRXNPFEDSA-N 420.793 1.979 30 10 HDEE CCN(CC(=O)OC)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282309725 KDOFNBNICKSSTC-UHFFFAOYSA-N 423.749 1.884 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CC(F)F)C2COC2)OC1(C)C 2282332809 GTHBKNAZEPFTLT-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CN(CC1(O)CCCC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337944 KOJZNYDOFSPUCW-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CN(C(C)(C)CN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282408078 FOQDOZDBIZDZOR-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE CCNC(=O)CN(CC)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282426099 XZYPCXFHDOYHKI-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@H](N)C2)OC1(C)C 2282493435 UGXZGDYRZOFWHW-RYUDHWBXSA-N 400.737 1.797 30 10 HDEE C[C@@H]1OC[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282498918 LCJMVQPGCIAZQY-SDDRHHMPSA-N 402.347 1.285 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCC2(CC1)OCCO2 2282529316 DXFUZXSJUVZSEL-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CN)C(F)(F)F 2282833881 MATVYAMHKIHARC-JTQLQIEISA-N 414.280 1.524 30 10 HDEE CN([C@@H]1CCC[C@@H]1CN)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854140 NUUORCVZAXJFPB-TZMCWYRMSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@](F)(CO)C2)OC1(C)C 2282854197 OOACHWIWKHVXLN-INIZCTEOSA-N 405.322 1.532 30 10 HDEE C[C@H](O)[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282869443 CUBAMPPJHRHMHM-QWHCGFSZSA-N 401.359 1.580 30 10 HDEE CC(C)SC[C@H](NC(=O)c1sncc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284380309 CFDCHPZWFDVNLQ-NSHDSACASA-N 400.331 1.767 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C(=O)O 2284393798 PQVHZOUWOUCUKU-LDYMZIIASA-N 421.733 1.794 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)c2)OC1(C)C 2284408036 RSQYXODRHLYYMP-VIFPVBQESA-N 411.257 1.434 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@]2(C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284412567 CVSUCAONLKAFHN-INIZCTEOSA-N 401.315 1.593 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](NC)c1nc(Br)nn1CCOC 2328460162 UGMIJPZGDNGBKZ-RYUDHWBXSA-N 416.320 1.864 30 10 HDEE CC1(C)COC[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2361156566 QQWVWUSSHJFHRF-LBPRGKRZSA-N 401.359 1.998 30 10 HDEE Cn1cc([C@H](C#Cc2nccs2)OCCCN)c(I)n1 2363533343 JOIPKJGWVJPZOO-NSHDSACASA-N 402.261 1.939 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(C)CCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365202525 FJZRVBHNZNVPAM-RTBURBONSA-N 401.525 1.828 30 10 HDEE COC[C@@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCCCN1C(=O)OC(C)(C)C 2365205686 VOYLEUPGBHJANM-DNVCBOLYSA-N 402.557 1.947 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@H](NC(=O)OC(C)(C)C)C(C)C 2365205834 VXHJQRMCFNYWQX-ZRGWGRIASA-N 404.573 1.701 30 10 HDEE CC(C)(C)OC(=O)NCC12CC([C@H](N)C#CC(C)(C)S(C)(=O)=O)(CCO1)C2 2365206845 JOONBAMQAFOAEI-FTXHTYHOSA-N 400.541 1.604 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245596 ZMWBNMYHJHXJCE-KBPBESRZSA-N 405.513 1.834 30 10 HDEE COCC[C@@]1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367792480 OYVULXBSNHUYPF-YJBOKZPZSA-N 401.525 1.592 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367796411 ILGYOAFLHMINJX-CYBMUJFWSA-N 403.497 1.730 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 2367809598 OUULHAFULHMQIV-ARFHVFGLSA-N 402.557 1.457 30 10 HDEE C=CCC1(N[C@@](C)(CS(C)(=O)=O)C(=O)O)CCN(C(=O)OC(C)(C)C)CC1 2371206125 BBHMKDLBGVHUBH-KRWDZBQOSA-N 404.529 1.810 30 10 HDEE CCN(CC(=O)NC(C)C)C(=O)COC(=O)c1c(C)oc(-n2cccc2)c1C#N 28331938 LZFQBRASMXIIMA-UHFFFAOYSA-N 400.435 1.780 30 10 HDEE CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 65685289 HMFKNBHSDPQGAB-UHFFFAOYSA-N 401.448 1.935 30 10 HDEE CON=C(C(=O)NN1CC(=O)S[C@@H]1c1ccco1)c1csc(NC(C)=O)c1 254827120 XRGNWWQJDIZTHM-MRXNPFEDSA-N 408.461 1.955 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 460772509 HRJRUAAWZFCKJX-HNNXBMFYSA-N 407.482 1.554 30 10 HDEE COc1cc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1 480122019 SVYMDBHKBBBSSA-CQSZACIVSA-N 417.487 1.901 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)c1 489115942 VYLBGDGDEGWHIM-UHFFFAOYSA-N 414.487 1.346 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(C#N)ccn2)CC1 501745984 OXCNOVVVLYXWEZ-UHFFFAOYSA-N 420.878 1.762 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 504056039 RGNCCJSTZJQAMZ-UHFFFAOYSA-N 407.474 1.586 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 508787816 ADWZIZQHVQJULS-HUUCEWRRSA-N 409.556 1.497 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 511410420 OKMIVJXFYUNLKS-RBUKOAKNSA-N 419.551 1.220 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@H](C)Oc2ccccc2C#N)C1 523610112 ZNAXHOFNYAZSIN-DOTOQJQBSA-N 401.463 1.586 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N(C)C)c(NC(=O)[C@H](C)n2cnc(C#N)n2)c1 537301575 HJUDDXLXNRJOMQ-ZDUSSCGKSA-N 419.511 1.446 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(CCC(=O)N(C)C)CC1 542421936 LCKWVRAFCHKDKW-UHFFFAOYSA-N 403.483 1.211 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cc3cc4c(cc3[N+](=O)[O-])OCCO4)CC2)n1 546876165 FXEFFISBOBQMEM-UHFFFAOYSA-N 409.402 1.524 30 10 HDEE Cc1ccc([C@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N2CCOCC2)o1 546929188 KRBSYMAVQSHNDV-IBGZPJMESA-N 424.505 1.760 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2nc3ccccc3n2C2CC2)c1 564524964 LGEOQEMYQKTLIS-UHFFFAOYSA-N 409.471 1.838 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 568575714 LTFXHICFDPYETG-IFXJQAMLSA-N 417.462 1.964 30 10 HDEE COCCn1nc2n(c1=O)CCC1(CC2)CCN(C(=O)c2cccc(C#N)c2)CC1 575317135 BGYBYHJLKVQRFO-UHFFFAOYSA-N 409.490 1.822 30 10 HDEE N#Cc1ccccc1OCC(=O)NC[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 583457190 RLSUGCMJMRBMMS-AWEZNQCLSA-N 405.501 1.826 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 583775710 ZTDWLLSYYGOHOA-LFGUQSLTSA-N 411.458 1.086 30 10 HDEE Cc1ccc(N=c2ccc(=NCCNS(=O)(=O)c3ccc(C#N)cc3)[nH][nH]2)nc1 585459264 ONGMIMPYZFTKHJ-UHFFFAOYSA-N 409.475 1.030 30 10 HDEE C=CCN(CC=C)C(=S)NCCNC(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O 586412601 JEJYSMYTHUXEAS-CQSZACIVSA-N 400.504 1.336 30 10 HDEE C[C@H]1CCC[C@H](OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 609575872 KJVBWDOZNDTECA-WMZOPIPTSA-N 405.520 1.986 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 609668727 YVXQJXCTKBYTDG-TZIWHRDSSA-N 400.523 1.484 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 609865721 BSFKSKBNWVLMQQ-OAHLLOKOSA-N 421.519 1.415 30 10 HDEE C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C1 612272867 YAPNLTUQTYNKAD-JXFKEZNVSA-N 419.503 1.730 30 10 HDEE COc1cc(N2CCN(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)CC2)ncn1 613119072 YBABWNUBBCFLSD-UHFFFAOYSA-N 422.493 1.252 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 619741839 RLLKADPKEALBAM-HNNXBMFYSA-N 411.422 1.512 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2c2nnc(C3CCC3)o2)C1=O 685208998 LMAQRJLIKMHHMV-CYBMUJFWSA-N 401.423 1.368 30 10 HDEE CNS(=O)(=O)c1cc(I)cc(B2OC(C)(C)C(C)(C)O2)c1 694942302 TUUVVBVAVCPYEM-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729335302 LQGYUUJFGCQFPA-MRXNPFEDSA-N 409.529 1.665 30 10 HDEE C[C@@H](NC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1ccc(OCC(=O)NC2CC2)cc1 732699962 HGHYHSJGIYNFBW-BEFAXECRSA-N 411.506 1.787 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@H](CC(=O)NC)SC1=Nc1ccc(F)cc1 733200380 DNYHGWXZVZXUDV-RISCZKNCSA-N 415.512 1.717 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 741341046 HKALKIOZCOHBGC-XNDXBFIZSA-N 416.478 1.765 30 10 HDEE C#CCN(C(=O)[C@@H](C)Oc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 742051746 BVYIEMBSDDLPQJ-OCCSQVGLSA-N 400.294 1.865 30 10 HDEE COc1cc(C=NNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc2c1OCCO2 746492144 TVKNTWYBUIEYRN-UHFFFAOYSA-N 407.404 1.828 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1C#N 747498770 ROXRGBSJCNRKEO-UHFFFAOYSA-N 412.421 1.797 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1 750414715 MCZUQEUUSNJQHY-UHFFFAOYSA-N 401.444 1.650 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C)OCCCO1 754724572 RXTLTRGQGSZXJG-HNNXBMFYSA-N 409.508 1.409 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c1=O 758049573 HQCKSRWYEHXXRL-UHFFFAOYSA-N 415.858 1.833 30 10 HDEE Cn1cc(/C=C/C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(=O)n(C)c1=O 764751725 MHNNUSACVAAMLR-ONEGZZNKSA-N 424.244 1.811 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)ccc1Br 769849484 LDUBBJWBJRBRRQ-CQSZACIVSA-N 403.254 1.539 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780885048 AUSRGQMONAKJEP-IBGZPJMESA-N 416.478 1.225 30 10 HDEE COCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cccc3cnccc23)c1=O 782918276 CYSJUQMOEOEGSQ-UHFFFAOYSA-N 422.510 1.132 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(N3CCOCC3)nc2)n1 788534397 VCEKISWRUJQTFY-UHFFFAOYSA-N 412.494 1.106 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(C(=O)OC)cc1 789967415 DYGCBEXFSPECGB-UHFFFAOYSA-N 414.491 1.951 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](c2ccccc2)OC[C@H]1C)c1cc[nH]n1 789971590 RTMKYNNITXDULK-PBHICJAKSA-N 400.435 1.682 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790290492 NVVVXTQWYOVAKD-HNAYVOBHSA-N 415.556 1.872 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)[C@@H]3CCCOC3)sc(=Cc3ccoc3)c2=O)cn1 794611511 BKIHKVNZPFEKFQ-OAHLLOKOSA-N 424.482 1.207 30 10 HDEE Cc1c(NC(=O)[C@H](C)OC(=O)[C@@H](C)n2cnc(C#N)n2)c(=O)n(-c2ccccc2)n1C 798745216 YMNKYHNJENHECQ-KGLIPLIRSA-N 423.433 1.079 30 10 HDEE N#CCSCC(=O)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 800466660 DPMXRUMZNDMSJG-UHFFFAOYSA-N 423.701 1.812 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCCOc2ccc(C#N)cc2OC)c1 805362345 UEOMQPMNEHJJOV-UHFFFAOYSA-N 408.407 1.850 30 10 HDEE CC#CCN(C)C(=O)C[C@@]1(C(=O)N(C)CC#CC)CCN(C(=O)OC(C)(C)C)C1 819245403 HCXVRNSPEADIOA-QFIPXVFZSA-N 403.523 1.967 30 10 HDEE C=CCO[C@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1116562862 QYFPYYOINYXFGY-IBGZPJMESA-N 423.535 1.335 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CN(C(=O)C(C)(C)C)CCO2)cc1 1125087445 MWNPSVXXHDEPDQ-KRWDZBQOSA-N 423.535 1.705 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1129171768 JVMLBLUATIGBNK-OHQAAIJDSA-N 408.520 1.948 30 10 HDEE C[C@@H]1[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCN1C(=O)OC(C)(C)C 1131778705 OAUKEXQMSDVFSM-OCCSQVGLSA-N 422.507 1.239 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C2CC2)c1 1136043838 QKOGGAXOPYBVFI-QGZVFWFLSA-N 406.529 1.620 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)NC(=O)NC2=O 1136085492 GTGXJBVCCHUPBK-LLVKDONJSA-N 400.863 1.223 30 10 HDEE N#Cc1cnc(C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c(Cl)c1 1151396331 KSCDLQQBUBMBIR-CYBMUJFWSA-N 410.817 1.744 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cccn(CC(F)(F)F)c2=O)[C@H](C#N)C1 1153867254 ZVJRATPZTAFNTJ-DGCLKSJQSA-N 414.384 1.899 30 10 HDEE C#CCN(CC(=O)N1Cc2cc(O)ccc2C[C@@H]1C(=O)OC)C(=O)OC(C)(C)C 1159666980 RGQUTOBWCAVNFG-QGZVFWFLSA-N 402.447 1.689 30 10 HDEE N#Cc1cc(C(F)(F)F)cc(N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)n1 1164288438 QQALZWLDLQTMEY-UQACVICXSA-N 402.398 1.595 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1165489254 KWHKIWCHWPQGEB-RBUKOAKNSA-N 405.462 1.338 30 10 HDEE C#Cc1cncc(C(=O)N2CCC[C@@H](n3nncc3I)C2)c1 1175732006 GSPKDXKTOIHBFF-CYBMUJFWSA-N 407.215 1.736 30 10 HDEE COC(=O)N1CCC[C@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1209083554 BTOLTAVBHHBDKZ-NSHDSACASA-N 402.270 1.830 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2cnc3c(Cl)cnn3c2)c1 1212015069 NRRLIEIOXUASMT-UHFFFAOYSA-N 419.894 1.820 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1)[C@@H]1CCS(=O)(=O)C1 1219955549 CEOIOTOMVXRYMB-VQTJNVASSA-N 416.547 1.625 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)CC1 1230656927 NGVLRFUBNUEFCB-UHFFFAOYSA-N 407.945 1.792 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N(CCC#N)Cc2cccnc2)C1=O 1265309575 VMRGNCXZUBIVFG-QGZVFWFLSA-N 400.479 1.904 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1286339688 OBQLSBSSVKVIBN-MRXNPFEDSA-N 416.503 1.761 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(-c2nc[nH]n2)cc1)[C@H]1CCS(=O)(=O)C1 1286384649 JHCIFQYYEQOIHT-KRWDZBQOSA-N 411.491 1.047 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCCS1(=O)=O 1286462576 NHAUDJZZCIHBFM-QGZVFWFLSA-N 417.535 1.702 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C(C)C)N2CCCC2)CC1 1286479228 GHEOBIXWEZNHRH-PMACEKPBSA-N 400.571 1.658 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCCN(C(C)=O)C1 1286514730 NUPMIOBHQODALJ-DYESRHJHSA-N 400.527 1.667 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1286607927 MAQQMNHDAUSXIO-CQSZACIVSA-N 411.553 1.866 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(NC(C)=O)CC1 1286709860 GWQDDGBIHYNMBN-DAWZGUTISA-N 418.542 1.705 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(COC)n2)C1 1286807744 GHULNABKUNYRHP-CABCVRRESA-N 418.523 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C 1286825771 XJOKQBIRPGNKOT-BRWVUGGUSA-N 411.572 1.649 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1288518663 WOTHGICYEFOYAM-FUHWJXTLSA-N 400.531 1.654 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1cccc(Cl)c1 1289435657 CUEJKSFPTIGCQF-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1289436614 OVQPFFYUKXEZFH-IINYFYTJSA-N 403.338 1.624 30 10 HDEE N#CC1(CC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCOCC1 1292594324 ZNMTVOFXALDBAG-UHFFFAOYSA-N 404.898 1.815 30 10 HDEE C[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCN1CCO 1296778960 KPJCXQJPWWRUDS-CYBMUJFWSA-N 407.312 1.282 30 10 HDEE Cc1cc(C#N)cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1299293749 WGTGIJUSSUYPOI-KBAYOESNSA-N 403.504 1.915 30 10 HDEE N#Cc1ccc(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)s1 1299563591 MJIAUSFEYUZXFV-UHFFFAOYSA-N 421.500 1.766 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1300303453 IZLBNEZNMHTJLR-QRQCRPRQSA-N 424.505 1.437 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(O)c1)[C@H]1CCS(=O)(=O)C1 1300478833 CTCIVAQPRWZTDX-INIZCTEOSA-N 402.520 1.956 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1301272905 LSDAMKHOXWHGBM-HOTGVXAUSA-N 422.555 1.941 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301508698 QYFLULQWKZNVIN-ZDUSSCGKSA-N 414.432 1.038 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC(O)CC2)C1 1301553089 DMGKSBMNQSQXLD-IBGZPJMESA-N 414.554 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)CCS(=O)(=O)CC)nnc1C(C)(C)C 1301593979 ZJWTWRNLCIJOJB-UHFFFAOYSA-N 406.574 1.047 30 10 HDEE CC(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302517714 BFVQJUIPBXYXTI-IEBWSBKVSA-N 413.526 1.369 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1C[C@]2(CO)CCCC[C@]2(CO)C1 1304455933 OWAQPAYJISUVEV-HBGVWJBISA-N 409.527 1.947 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1305157780 MJQDRPSGDGNRPI-MYDZZUQKSA-N 407.478 1.959 30 10 HDEE CCOC(=O)c1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)on1 1306833653 HYTOBGQZMKBALW-UHFFFAOYSA-N 409.196 1.648 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN[C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 1307998876 AAKGTDABHWACHR-UYAOXDASSA-N 403.483 1.084 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)NCc1ccc(CC#N)cc1 1312920608 DVSNAQHRDSQTQH-UHFFFAOYSA-N 407.474 1.327 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1ccc(C)c(C#N)c1)CCS2(=O)=O 1313268820 ZNNXCSLTTMFCTQ-OHTSDLOESA-N 419.503 1.565 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 1313349401 HFTJEGDEUWPVLQ-UHFFFAOYSA-N 405.505 1.372 30 10 HDEE CCn1cnnc1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1313854905 FQQFZONKKRTHLP-BEFAXECRSA-N 402.503 1.574 30 10 HDEE COCCOCCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1316263139 VJCAUBFGEBFJHY-QGZVFWFLSA-N 403.458 1.790 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCOC[C@H]1OC 1316284588 BBFCGHWRFRGRBC-GHHWKCCRSA-N 423.489 1.496 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 1320776606 ISUNHIFNCMFAJJ-KRWDZBQOSA-N 403.435 1.214 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N1CCOCC1 1358875974 ZSOUZZAJGJQQJN-GFCCVEGCSA-N 421.299 1.352 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1358918531 YIOMSDAIODTXKF-DLBZAZTESA-N 409.556 1.699 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C)c2ccccc2C1 1358919389 BHHGEVJYRVKOCN-INIZCTEOSA-N 416.551 1.758 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCC1 1358937163 KUASDPXAAWHKSJ-UHFFFAOYSA-N 416.595 1.945 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1358959171 CYWLPAAGTXSRQC-MGPUTAFESA-N 420.510 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=C)Br 1358984603 BRYUWOXXRJHNID-CYBMUJFWSA-N 414.329 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3csc(C)n3)n2CC(C)(C)O)CC1 1359046623 ZICSBNHAFSYVHR-UHFFFAOYSA-N 416.551 1.371 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)CCNS(C)(=O)=O 1359093710 RCLXFXGJNVWWCS-WBVHZDCISA-N 423.539 1.813 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1359229645 PIYVXCULXUTBKK-VQIMIIECSA-N 410.540 1.737 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1CCCn1cnnn1 1359257884 ZDAVTGSBKDQOID-UHFFFAOYSA-N 421.509 1.784 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1359287573 LXZSDLJFJQVRDJ-UPJWGTAASA-N 423.461 1.432 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCC[C@H](C(N)=O)C1 1359301747 JTNUKHSXWVHGJF-ZDUSSCGKSA-N 418.448 1.151 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359326466 AUPIQXBVEACOSN-KFWWJZLASA-N 411.528 1.327 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)CC(N)=O 1359330239 LQEPWVZWIYAYDA-HNNXBMFYSA-N 405.524 1.554 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@]1(C)CN(C)C1=O 1359930813 RTSAMWXLCGISFH-OAQYLSRUSA-N 415.542 1.645 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1360607487 XUOFJUWUBUXGSR-PKOBYXMFSA-N 402.543 1.880 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nncn2C)c1 1361035637 IAJYVFLPXUNVPC-KRWDZBQOSA-N 408.466 1.380 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)N1Cc2cccc(C#N)c2C1 1437268676 FIUDFEPUUCFNTO-UHFFFAOYSA-N 418.496 1.533 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1440879487 RJUFGSFNDWCCDO-UHFFFAOYSA-N 405.867 1.368 30 10 HDEE COCC#CC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451441275 CRQBKNJSHPOVGW-IRXDYDNUSA-N 420.510 1.030 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)C(=O)OCC 1454716264 VRTQFCBZFWLOTA-HNNXBMFYSA-N 423.901 1.096 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(CCC#N)CC2)cc1 1454901413 ARCSUTMDLOKHAD-UHFFFAOYSA-N 420.535 1.348 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1456686319 MVZOQWXIFIOMCZ-HOTGVXAUSA-N 418.498 1.619 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H]2CC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1457321313 KYRLKMBZJBEXEM-KHYOSLBOSA-N 413.540 1.353 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C[C@@H](O)CC2(O)CCC(C(=O)OCC)CC2)c1 1459310342 HSLJLSZRLXRFDT-WWAKMMQFSA-N 416.518 1.774 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCCCC1 1460830842 QJMKOSVODLBHOI-UHFFFAOYSA-N 419.547 1.962 30 10 HDEE CCS(=O)(=O)NC1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 1460894792 HDYUZEWKVHBIJG-UHFFFAOYSA-N 406.552 1.954 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)Nc2cnn(CC(N)=O)c2)C1 1464243998 SBBNIDBUFVKJIT-UHFFFAOYSA-N 403.240 1.077 30 10 HDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1465278227 BNQVAUCQQNHAJG-UHFFFAOYSA-N 403.426 1.151 30 10 HDEE N#Cc1ncn(CCNC(=O)N[C@H]2CCc3cc(Br)ccc3NC2=O)n1 1470102109 HQMJNTMZDXATNX-ZDUSSCGKSA-N 418.255 1.165 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CCc3cccc4cccc2c34)CC1 1471406669 CQROWNIOVYOHDD-IBGZPJMESA-N 412.515 1.622 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CC[C@H]1COCCO1 1493172815 ZUIJTYGOOGOTQK-YJBOKZPZSA-N 410.478 1.289 30 10 HDEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1504779775 INLZYVXDPMSUIR-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnnn1CC1CC1 1507540804 DBDUVMAGSBNWGS-OAHLLOKOSA-N 417.477 1.631 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](c1cccs1)N(C)C 1507617160 RLCJHACCBKITHN-GJZGRUSLSA-N 407.565 1.614 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1507677794 KEGIWXYMSFDXKX-UHFFFAOYSA-N 424.505 1.499 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507843066 HDHOUSDEUQSNLD-IRXDYDNUSA-N 415.498 1.133 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507936910 LADYAMLAZWXPDP-UHFFFAOYSA-N 412.498 1.067 30 10 HDEE C=CCn1c(N2CCCN(C(=O)C3CC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1508066097 CHELFOZKBCTTBS-OAQYLSRUSA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2)CC1 1508072194 OHLOTNLBZQFQEK-UHFFFAOYSA-N 411.510 1.045 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1508072613 DKHOZDNKFKRDBL-INIZCTEOSA-N 414.897 1.712 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@@](C)(C#N)C2)C1 1508205748 BRXJCUJMGSKBKB-UWJYYQICSA-N 415.542 1.805 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1CCN(S(=O)(=O)CCCC)CC1 1531183219 WLHMDSFMHYXMIC-UHFFFAOYSA-N 400.541 1.632 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537432263 BKKLYWJZNILXEO-MRXNPFEDSA-N 421.500 1.735 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(c2ccccn2)CCC1 1538970328 BYIAPIMZKNTIMZ-HZPDHXFCSA-N 416.551 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1539022261 OCDOIOFELRDOPF-WBVHZDCISA-N 402.524 1.003 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)CC)c1 1539040560 WPPYIHCWYMPYFJ-JOCHJYFZSA-N 421.505 1.896 30 10 HDEE C#CCCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)COC)CC1 1539105109 WSFPVBYLUFRQDI-UHFFFAOYSA-N 402.886 1.702 30 10 HDEE C#CCCCn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1539139479 ITBJNSBQUNCWDN-PKOBYXMFSA-N 402.543 1.217 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1539193756 JVYNXFULMLSCCF-GOSISDBHSA-N 411.506 1.730 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1cc(C)cc(C)c1)[C@@H]1CCS(=O)(=O)C1 1539206631 SPCKURHJIIZRKO-GOSISDBHSA-N 402.520 1.909 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1([S@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539221283 ZDYCQYLOXVSMRT-HAWMADMCSA-N 412.581 1.014 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1539230573 IBSMHSNIVHGAEX-JJTUDDRGSA-N 408.524 1.210 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccsc2)CC1 1539430950 PJKVFSKZWJMZLA-OAQYLSRUSA-N 415.563 1.990 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCCC)CC1 1539481348 LOTBRAATMNMWAW-LJQANCHMSA-N 417.554 1.955 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)NCCOC)CC1 1539514458 ZLDCTBBUAGMCCJ-UHFFFAOYSA-N 416.551 1.619 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](F)COC 1539548676 SWQDYOYNVAPPQL-OXJNMPFZSA-N 410.457 1.897 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1539626560 FIWQWYHZYRNQIS-RKVPGOIHSA-N 424.496 1.598 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)OC)C1 1539744196 DXJIWXZWCGMRSN-AWEZNQCLSA-N 417.466 1.598 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1540069738 WMUZETWABCJDEI-INIZCTEOSA-N 400.458 1.349 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1540862494 CJFHXLQJHVLANL-HNNXBMFYSA-N 409.498 1.080 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC1CC1 1540869560 PYCVXBTZFFMQLS-UHFFFAOYSA-N 421.505 1.731 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)NCCCOC)CC2)nnc1C(C)(C)C 1540875986 DJACVNUVPHOFBO-UHFFFAOYSA-N 420.558 1.247 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)cc1 1547446134 LKOLQPSZNYYSDE-AWEZNQCLSA-N 405.418 1.267 30 10 HDEE COCCC(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(=O)NC1CC1 1548369520 ORDWAYXFCGEDHP-KRWDZBQOSA-N 424.423 1.909 30 10 HDEE CCSCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1552621041 MHRJGPMDJPLGDY-BBRMVZONSA-N 401.533 1.765 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnccn2)CC1 1555267560 VTXXFFDZTUAPPY-SFHVURJKSA-N 422.468 1.918 30 10 HDEE CCS(=O)(=O)C1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1556601941 HQHSMMGHOIMBHP-UHFFFAOYSA-N 412.309 1.402 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CC[C@H](O)[C@H](O)CC1 1558436066 ODRMWPRIWSEBJB-LLLHUVSDSA-N 423.535 1.065 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1OC 1561154575 GETRJZNJYPKPCS-NSHDSACASA-N 409.913 1.721 30 10 HDEE COC[C@]1(C(=O)Nc2cc(C)n(CCC#N)n2)CN(C(=O)OC(C)(C)C)CCO1 1567068136 BEUNQLAQRRSAII-IBGZPJMESA-N 407.471 1.696 30 10 HDEE CC(C)CC(=O)N[C@H](CC(N)=O)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1584877069 ZLLSVPXYIANLHM-QGZVFWFLSA-N 400.479 1.086 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1)C1CCN(C)CC1 1585116045 XZLHVBFTBKZZQF-LJQANCHMSA-N 417.575 1.952 30 10 HDEE C#CCSCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1586672623 DHYBVCLDQYNMQG-UHFFFAOYSA-N 410.540 1.170 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@H]1CO 1587970145 QCWKWSWQCOKNDE-FQEVSTJZSA-N 417.517 1.810 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1588012156 YKZZRGFDUVQYGR-SFHVURJKSA-N 413.503 1.765 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1588053655 GTARIZMDJYSIKS-CABCVRRESA-N 414.478 1.597 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(N(C)C)c2)CC1 1588806047 FGLYWMAVJXZCGM-UHFFFAOYSA-N 402.506 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCC)CC2)CC1 1588923466 AFCFTXQJNORJIU-KRWDZBQOSA-N 412.538 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CC(F)(F)C2)CC1 1588924077 VBMAKRYKWXONIP-OAHLLOKOSA-N 420.464 1.240 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1589069090 IMRVJJMTZNPQEM-CYBMUJFWSA-N 407.521 1.097 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1593908725 OQILUAMHNUUSPK-ZBFHGGJFSA-N 408.934 1.310 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1595219464 VAUGGVNLBDVWLP-IRXDYDNUSA-N 422.551 1.902 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1595529845 JRSNKSHSFLABCW-NVXWUHKLSA-N 409.494 1.198 30 10 HDEE C=CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1595870953 ANWJVALWWXBKIE-UHFFFAOYSA-N 418.567 1.346 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCc1ccccc1CS(=O)(=O)N1CCCC1 1596286027 IQZJCYPJYGYVLV-UHFFFAOYSA-N 414.487 1.823 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ncc3c(c1C#N)COCC3)C2=O 1598020671 FOACIXLZCGEWGD-NGVSDPCNSA-N 411.462 1.711 30 10 HDEE CC(C)Cc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1603636200 OYQGEYJVVRGFPV-UHFFFAOYSA-N 406.512 1.461 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@H]3C=CC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C 1616048904 OSGFHEYZWQHGNR-ZWFOANJWSA-N 418.461 1.997 30 10 HDEE CN1C[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)NC1=O 1616675192 MPNUJRDWNBVMKC-LSDHHAIUSA-N 406.284 1.182 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1617621040 WZMBNSVSTSDILN-QRTHJKPMSA-N 424.505 1.414 30 10 HDEE COC(=O)C[C@](C)(NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)c1cccnc1 1617930357 BBTDCHNGFMUXDS-ZHRRBRCNSA-N 406.442 1.901 30 10 HDEE C#CCN1CCCN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CC1 1618030027 QJQMTPLREVBTBH-UHFFFAOYSA-N 403.426 1.151 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 1619904807 KTNYLCUKVPKBAL-OAHLLOKOSA-N 408.495 1.816 30 10 HDEE C#CCN(CC(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1)C(=O)OC(C)(C)C 1625404253 SVMLSYAZRQPSLU-UHFFFAOYSA-N 403.439 1.509 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccnc3c2CC(=O)N3)cc1 1626004607 TYSBBOCIYVLCJT-KQWNVCNZSA-N 413.459 1.641 30 10 HDEE CN(C)C(=O)/C=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1626104322 SHBYUSKCIBGEJS-NLNAJOJOSA-N 406.508 1.863 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1)C(=O)OC 1626184125 PCIHHZROOUWKDM-SFHVURJKSA-N 400.456 1.460 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(-c3nncnn3)cc2)c1 1628321781 ALTOIGBWUIVLQK-UHFFFAOYSA-N 412.406 1.300 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)C1=O 1628394284 XSPIRXMZXIGCHJ-IBGZPJMESA-N 405.838 1.127 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC[C@H]1S(C)(=O)=O 1628480857 GSTWVPMFTLLQKZ-NWDGAFQWSA-N 412.961 1.968 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](O)c1cccnc1 1631958073 LMRBTDMEEMQOCJ-KGLIPLIRSA-N 408.336 1.762 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCNS(=O)(=O)c2ccc(C)cc2)CC1 1632823959 PTVQMTVQIZWTPT-PMACEKPBSA-N 421.563 1.399 30 10 HDEE CC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1634477761 UYYFPQOPNSLYBS-VOJFVSQTSA-N 403.826 1.316 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCc2nc[nH]c2[C@@H]1c1ccccc1)c1cc[nH]n1 1635382215 LHHMJBZVRIIGOI-FQEVSTJZSA-N 422.445 1.591 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCCc3cnn(C)n3)c(C#N)c2N)cc1 1635513034 VYZOHIUIJRFSPY-UHFFFAOYSA-N 421.509 1.628 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1cccc(CNc2ncccc2C#N)c1 1636309059 ZJXGQKBESJOIMZ-QGZVFWFLSA-N 410.430 1.600 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3cn(C)nn3)C2)s1 1637285873 BRQWDNHKIGMXCJ-CYBMUJFWSA-N 409.537 1.290 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2(C3(O)CN(C(=O)OC(C)(C)C)C3)CCC2)CC1 1639426138 WJLQPDJLDIDOMP-UHFFFAOYSA-N 419.522 1.127 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(I)ccc1N)C(=O)OC 1639558858 QBZOJHVXANEUOD-GFCCVEGCSA-N 404.204 1.347 30 10 HDEE CO[C@]1(CO)CCCN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1640083431 ZDSUEOFRZGTIKF-HXUWFJFHSA-N 413.434 1.985 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H]2CN(c3ccccc3)C[C@@H]2C1)c1cc[nH]n1 1641347694 FACSEIUHMMIHPX-HZPDHXFCSA-N 411.462 1.288 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1641927374 YVRXMLRBFPKQFO-LJQANCHMSA-N 416.489 1.948 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1642242461 YTQAUASJLXMEAJ-UHFFFAOYSA-N 424.523 1.488 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)N1CCN(c2ccsc2C#N)CC1 1643811069 HYLHCUDPEVBZME-KRWDZBQOSA-N 410.547 1.874 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H](O)Cc2ccccc2F)ccc1F 1644831876 ZWXHHTMKPWRFIX-HNNXBMFYSA-N 410.442 1.763 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)COC(=O)N2 1645459164 MVVRQDIZSHXAEM-LLVKDONJSA-N 400.416 1.926 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc3c2OC(F)(F)O3)c1 1645722198 DQCIKTIZMAQIPE-UHFFFAOYSA-N 422.409 1.892 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN([C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1646091075 PTQJTMRQPRTGEO-SFHVURJKSA-N 412.490 1.540 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CCO1 1647990985 JTSOIHVPPDCMMN-OAHLLOKOSA-N 421.397 1.395 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CC1 1654798811 QUAUARKAVDMJQA-SAABIXHNSA-N 419.547 1.755 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)N(CCC)[C@H]1CCS(=O)(=O)C1 1654984974 WTPPTGVFEAYYQR-CVEARBPZSA-N 400.541 1.078 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@](C#N)(c2ccccn2)C1 1659720342 TYCUPHNGVKKTMC-XMSQKQJNSA-N 405.506 1.466 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N[C@H](CC(N)=O)c2ccccc2)C1 1671494788 FRCQFUGWXXUILH-OAGGEKHMSA-N 401.467 1.661 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)CSc2ccc(C)cc2)CC1 1671782660 SUDSRIDPLNUVLQ-MRXNPFEDSA-N 410.565 1.270 30 10 HDEE C#C[C@@H](NC(=O)N1CCN2C(=O)N(CC)C(=O)[C@H]2C1)c1ccc(Br)cc1 1674025261 BLSNOWPMWMGFSP-HUUCEWRRSA-N 419.279 1.801 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1674888256 SIKPVOMYHUPYIQ-SJORKVTESA-N 424.542 1.477 30 10 HDEE CN(C)CC#CCNC(=O)N(C)Cc1cn(-c2cccc(Br)c2)nn1 1676930501 RPRTYZSBWDXBBV-UHFFFAOYSA-N 405.300 1.736 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)s1 1682135772 CDBPADOPWIGIMB-UHFFFAOYSA-N 414.516 1.717 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1Cc3ccc(C#N)cc3C1)CCS2(=O)=O 1684588934 GSSFPGPTKWXKSK-OHTSDLOESA-N 417.487 1.482 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 1685177050 JWTFWUSTWUMVBU-IBGZPJMESA-N 401.486 1.189 30 10 HDEE CSc1ccc(CNC(=O)N2CCC[C@H]2C[C@]2(C)NC(=O)NC2=O)cc1C#N 1685267116 RFLPAYWXVJKNAQ-LIRRHRJNSA-N 401.492 1.942 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC3(C4(O)CCOCC4)CC3)C2=O)cc1 1686084814 TXAFBWMZMXWSIH-GOSISDBHSA-N 412.490 1.675 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1689930462 RUKXCVYLCRXMDF-CVEARBPZSA-N 403.512 1.027 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1689944722 YLSJLHLTQLOVGM-UHFFFAOYSA-N 413.445 1.624 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1690196393 ITCBYUVZHCNMPU-HTAPYJJXSA-N 417.473 1.797 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C)C1 1690250023 CDODBALSKLOAEU-VIPLHTEESA-N 403.527 1.995 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690353960 AEBWLAKOJZXACB-AWEZNQCLSA-N 418.885 1.832 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1690420418 NMLBAFPMZRDKKH-CYBMUJFWSA-N 422.559 1.411 30 10 HDEE C=CCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1690477031 XQYJFFHHVRJAGP-INIZCTEOSA-N 410.478 1.067 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1690516775 SKTIHJCCLAYQSO-SFHVURJKSA-N 400.545 1.766 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@H]1OC 1690520082 IXDFYWMEFYNQLC-FUHWJXTLSA-N 410.482 1.595 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1690525688 OATHHLALPVWNRZ-INIZCTEOSA-N 405.524 1.773 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1690624606 YBQXMQRTRCSGRJ-NRFANRHFSA-N 403.502 1.713 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1690663594 BDMZSYFJRPTGSB-LBPRGKRZSA-N 420.876 1.707 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCOC2=O)C1 1690712209 PNTUAUZGYXPUAU-MRXNPFEDSA-N 418.498 1.024 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1693783976 WSPHJMHHNCTPKK-RMYFCYLKSA-N 409.450 1.092 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1697077539 FAGOQWJYFRXWJP-ZDUSSCGKSA-N 408.422 1.525 30 10 HDEE COC[C@H](Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1)OC 1697768724 LQQXTHAWVUADQS-PXNSSMCTSA-N 407.515 1.720 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1N1CCOCC1 1705493577 KYASFQANNWKNFJ-WMZOPIPTSA-N 408.506 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1-n1cccn1 1705500090 GBZMSDZGSJVKTE-INIZCTEOSA-N 404.478 1.487 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1705587049 GGCHHZVRVJVMRS-HSZRJFAPSA-N 423.517 1.395 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CC[S@@](=O)CC 1705628336 DEGULWJWJQRRKZ-LBEKAKSKSA-N 418.519 1.645 30 10 HDEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705769699 AZCKVTKGSVVJTE-FQEVSTJZSA-N 420.510 1.714 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705802321 HUZVCKIHBLTUJD-OAHLLOKOSA-N 404.515 1.890 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1)C1CC1 1705855067 VBKKRKLHWVCFEP-MRXNPFEDSA-N 407.496 1.407 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1NC(=O)CC1(C)C 1706074212 XGPLECTWVNJPOX-IUODEOHRSA-N 413.482 1.516 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CCn2cncn2)CCOC1 1710452897 CCWLUULIUNDWEW-LJQANCHMSA-N 400.487 1.352 30 10 HDEE COCCc1noc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)n1 1712343469 IFAPQTITXFWRHZ-HNNXBMFYSA-N 424.509 1.975 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCc1cccc(C(N)=O)c1 1722290971 HNXQMFVZYFQLQM-CQSZACIVSA-N 420.473 1.805 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1722526303 ULHQFKSQRRDRTD-SFHVURJKSA-N 418.567 1.948 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CC1)CNC(=O)C2 1722617327 ISXBUAJHUQKEFS-HNNXBMFYSA-N 407.540 1.253 30 10 HDEE C=CCCCn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722622130 GCEDHSMVUJQLJV-JXXFODFXSA-N 408.499 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1740556841 WPMPEBFHZFWDNJ-QZTJIDSGSA-N 407.522 1.695 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740580622 DTQYHTBAGWUZKI-JKSUJKDBSA-N 424.571 1.043 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1csc(COC)n1)[C@@H]1CCS(=O)(=O)C1 1740622730 HUURCXYWMIZVRZ-OAHLLOKOSA-N 421.548 1.433 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCC[C@H](C)C2)CC1 1740690162 HQRUCLHBQSKOIT-PMACEKPBSA-N 418.586 1.489 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC(C)C)CC1 1740718338 MLQZQGRBKFXUIA-GOSISDBHSA-N 407.584 1.695 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCOC1 1740775822 GMSRPTOVYDACMX-LJQANCHMSA-N 405.524 1.823 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1740875649 HMOSPXVXIGAQOC-MIALQEHNSA-N 424.567 1.919 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OC)nc2)C1 1740983844 QWILBQILJGCVFU-KRWDZBQOSA-N 412.494 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCCO1 1740992343 FQQXROWKDZQPDT-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1741004979 RBHUETGRJNIIQM-BEFAXECRSA-N 422.555 1.063 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1741801457 ASWMGMMWEBAXCJ-GDBMZVCRSA-N 422.555 1.540 30 10 HDEE CC1=CCCN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1742475825 XSOMRMDDTTVTKR-QZQOTICOSA-N 419.489 1.947 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@](C)(O)c2ccco2)CCOC1 1746732915 CILBSYAPIGVFOL-RYGJVYDSSA-N 417.466 1.160 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748662270 SWGXDPLMEIZBKT-OAHLLOKOSA-N 412.519 1.729 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1748756548 QHYJOUQMHIMIFY-LJQANCHMSA-N 423.565 1.714 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(N(C)C)CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748817941 SYVUTSGNEKUCOF-WFXMLNOXSA-N 421.611 1.978 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CC1(O)CCOCC1 1748944052 KDCAAKMHMJEDBI-UHFFFAOYSA-N 424.480 1.999 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)C(C)C)CC1 1748986962 NRMUWKMEEHPSQI-NRFANRHFSA-N 414.510 1.168 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749097604 FFDPZZKFNOLYJU-OLZOCXBDSA-N 423.315 1.339 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1749482455 IBDSUTWHTJQGNP-UHFFFAOYSA-N 413.507 1.656 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CCO1 1749547115 LCIJEUQPCIRHGG-SFHVURJKSA-N 401.467 1.067 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N(C)C2CC2)C1 1749688945 AHEMTBPRSHCGDO-SJLPKXTDSA-N 402.543 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OC)[C@@H](C)C2)nnc1C(C)(C)C 1749740778 YREYRYVKHPGAHY-AWEZNQCLSA-N 413.544 1.453 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(-c3ccccn3)nnc2N2CCC(C#N)CC2)C1 1750208692 HLPKHECUQQFCSZ-MRXNPFEDSA-N 415.523 1.362 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)CC1 1750209059 OFEAZUZNQMMWGA-DLBZAZTESA-N 418.498 1.819 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)CC1 1760136450 ICISTUWTQIMBKK-SFHVURJKSA-N 400.527 1.334 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)[C@H](C)CCC 1760172143 VAIHSWQNXYVMLW-CQSZACIVSA-N 400.483 1.628 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1760187193 IRKKYARHOOCOHS-TVFCKZIOSA-N 424.542 1.937 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760190223 YUBXAANFEIDJMV-WMZOPIPTSA-N 418.494 1.596 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@H](O)C2)CC1 1760252466 QLRSOMJOGBYUIB-ROUUACIJSA-N 423.521 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC(=O)N2)CC1 1760270781 ZSZNXWPUBBJJPW-MRXNPFEDSA-N 400.527 1.111 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCNC(=O)C1 1760272479 LTHXNLZJGATMHX-UHFFFAOYSA-N 412.519 1.450 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)CC 1760296644 UUIONJITGYRZGR-JOCHJYFZSA-N 405.506 1.987 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccsc1 1760553386 BMGPNMVGHQRUMX-AWEZNQCLSA-N 409.537 1.528 30 10 HDEE CC(C)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760967968 OTSDTSUUDXLSGN-YOEHRIQHSA-N 419.507 1.554 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1769272187 KJNUVYXZWKZUJC-GOSISDBHSA-N 400.458 1.860 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)CC1 1770361143 FQJMMUTXJIFAPF-HOLBHBGLSA-N 416.463 1.493 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(F)F)C1 1770726162 BMVUCLIWRHNDRY-KRWDZBQOSA-N 409.372 1.649 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCSCCCO)CCN1C1CC1 1770748811 RVLOSJKOWZOWCL-WBVHZDCISA-N 406.556 1.074 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1771188788 QUHPRFLKVRWVMT-TYILLQQXSA-N 408.478 1.359 30 10 HDEE COc1ccc(N2C[C@H](C(=O)NCCN3CCC(C#N)CC3)CC2=O)cc1OC 1850033675 HDCJLUUHHNAEGI-MRXNPFEDSA-N 400.479 1.408 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC#Cc3cccnc3)C2)cc1 1850152271 DXHYHDOBOWXFFR-GOSISDBHSA-N 413.499 1.659 30 10 HDEE C=CCN(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)c1ncccn1 1851424619 GZOJZCFFIYLFNU-SFHVURJKSA-N 400.504 1.337 30 10 HDEE C=CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)[C@@H]1CCN(C)C1=O 1851732635 YSVVHYVIBJRMJR-LJQANCHMSA-N 419.547 1.641 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)C[C@@H]3OC(=O)c4ccccc43)CC2)nc1 1851875431 WTEMKCYGGKXTAH-IBGZPJMESA-N 406.442 1.920 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 1852122559 DJCZIFLUGAUNKY-UHFFFAOYSA-N 415.471 1.479 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@@H](C)Oc4cccc(F)c4)n3[nH]2)CC1=O 1852331536 UBAIUHKWAWEHGK-KGLIPLIRSA-N 424.436 1.798 30 10 HDEE Cc1cc(C)n(C[C@H](C)C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)n1 1852601726 VRIRYXVPOTWPPM-AWEZNQCLSA-N 406.494 1.665 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3CCCN3c3ccccn3)c(C#N)cc2C#N)CC1 1852606452 DXBVNYZFCQGNNR-GOSISDBHSA-N 416.489 1.579 30 10 HDEE C#Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)cn1 1852742014 QDAAGZDCPCPRBQ-NRFANRHFSA-N 422.510 1.824 30 10 HDEE COc1ncc(I)cc1C(=O)NCC1(C#N)CCOCC1 1852802843 DRIQAOXZNPYKHJ-UHFFFAOYSA-N 401.204 1.745 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)c1cc(Br)cnc1N1CCOCC1 1853139940 PGHMRTWXVADVFD-UHFFFAOYSA-N 414.329 1.628 30 10 HDEE NC(=NOCCC(=O)N1CCCN(C(=O)c2cccc(F)c2)CC1)c1ccncc1 1853555877 JYKLUYQTRFFEEY-UHFFFAOYSA-N 413.453 1.622 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC[C@H]2CS(=O)(=O)c2ccccc2)C1=O 1853991611 MGJDVQJCCGYHSM-FUHWJXTLSA-N 403.504 1.746 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccnc(Cl)c2)C1=O)[C@@H]1CCN(C)C1=O 1854097771 DRDYNOJBUYCVHG-JKSUJKDBSA-N 404.898 1.975 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ccc(OC(C)C)nc2)C1=O 1854166603 IDJVASHASBFUCM-IAGOWNOFSA-N 400.479 1.329 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@H]1C 1854311011 AYVGKCXAFKQXHP-CABCVRRESA-N 411.549 1.394 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1855375233 JWJBBVKGKQHHSV-FUHWJXTLSA-N 414.506 1.861 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4)[C@H](C)C3=O)nc2n1 1855636945 XJRVSJLFNWJEKC-OAHLLOKOSA-N 403.446 1.486 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)[C@H]2CCCO2)CC1 1855857583 NMPUZMGICBQLKE-QGZVFWFLSA-N 403.460 1.206 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)CCn3cnc4ccccc4c3=O)C2)CC1 1855888549 QZLTWDKQDFCQKW-QGZVFWFLSA-N 407.474 1.397 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)C[C@H]1CCCCO1 1855954597 XZDNQGSTQBZWNT-OAHLLOKOSA-N 405.476 1.596 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C(=O)[C@H]1C 1856263169 TXNWEYIZUOFYNU-ZIAGYGMSSA-N 418.444 1.788 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)c4ccncn4)C3)CC2)cc1 1856632682 YGYWRHOBQGZLFQ-KRWDZBQOSA-N 405.458 1.880 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCSc4ncccc43)CCC2=O)CC1=O 1856658334 JMWWWCMAWSGTLP-JKSUJKDBSA-N 414.531 1.793 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871544284 NLWWIUNHYNXBGP-UHFFFAOYSA-N 401.446 1.475 30 10 HDEE C=CCn1c(C(=O)NCCc2cnc[nH]2)cc2c(N3CCC(CO)CC3)ncnc21 1873594165 NSUHANXRSIJQEK-UHFFFAOYSA-N 409.494 1.522 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)C1 1891916439 DDVXWXPPPFVBJG-HUUCEWRRSA-N 401.467 1.975 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)[C@@H](C#N)C1 1985203115 QSQYLJIWDPORIE-RBUKOAKNSA-N 415.538 1.678 30 10 HDEE C#CCN(C)C1CN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1989116571 SQDMKZAPIXCYRG-FQEVSTJZSA-N 414.550 1.788 30 10 HDEE N#CC1CN(S(=O)(=O)Nc2c(N)cc(Br)cc2Br)C1 2108327278 HGWRXYPWNQHURQ-UHFFFAOYSA-N 410.091 1.906 30 10 HDEE C[C@@H]1CC[C@H](C=O)N(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 2181019685 SKBLBYYZINPJNU-RBSFLKMASA-N 402.513 1.237 30 10 HDEE Cc1nn(C)c(Br)c1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2185766867 NMITXUWIXQDPFV-UHFFFAOYSA-N 422.092 1.833 30 10 HDEE COC(=O)CS(=O)(=O)N(C)[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2186591546 PSGRBBLPZLYCAP-LLVKDONJSA-N 403.331 1.543 30 10 HDEE CN(C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)[C@H](CC#N)C(F)(F)F 2197502156 FJCPZXNXUBTEAD-GHMZBOCLSA-N 413.418 1.227 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2243383683 BDKDJVVGTNXFDB-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]2OCCN(C(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247811921 MCIZORJMEYMBCB-HZPDHXFCSA-N 420.315 1.858 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)NC(=O)OC(C)(C)C 2247916754 DDZUBUBBMIMMDO-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE CON(C1CNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352051 AOLYFPIHORNZAZ-UHFFFAOYSA-N 408.738 1.225 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2267355014 DTLQTDGEVSEOIG-ZJUUUORDSA-N 404.750 1.436 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCCSC2)OC1(C)C 2267708215 GGUAPAWCNAZDKF-NSHDSACASA-N 404.388 1.757 30 10 HDEE CS[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712979 JLJJMXZTBVHVSO-WDEREUQCSA-N 404.388 1.029 30 10 HDEE Cc1csc(C(=O)NC(C)(C)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282004086 DFIDUQYXGDEAOJ-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE COC1(OC)CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282315088 JOVFEYCDWXNOPQ-UHFFFAOYSA-N 403.331 1.349 30 10 HDEE CC1(C)C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282331121 JTEMUIVFPQKLIJ-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(F)(F)F)COC3)s2)OC1(C)C 2282338928 QXBSCIPTBXPSPV-UHFFFAOYSA-N 413.248 1.657 30 10 HDEE CO[C@@H]1COC[C@H]1NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282411058 ZZMUHXUFEBWIEW-VXGBXAGGSA-N 403.331 1.048 30 10 HDEE CC1(C)NCC[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282488459 BCFJKUNPTUPWKL-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE C[C@H]1CC[C@@H](O)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282491548 LTOWWHUHGQRBIV-GXTWGEPZSA-N 401.359 1.722 30 10 HDEE COC[C@@H](CF)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282825220 HVYVZDPVZWESAU-GFCCVEGCSA-N 407.700 1.902 30 10 HDEE CC(C)N(CC(N)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829737 JKKJNOLBDFNWPG-UHFFFAOYSA-N 422.765 1.585 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CC(F)(CN)C1 2282833675 ZAFVVAVGJIBUAZ-UHFFFAOYSA-N 404.338 1.463 30 10 HDEE Cc1cc(S(=O)(=O)N2CCNC[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282838746 UGQBTOJMIXYBPP-LBPRGKRZSA-N 400.375 1.586 30 10 HDEE C[C@H](CCO)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282839328 CCXWUOILSWOBMD-ZDUSSCGKSA-N 403.375 1.875 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282841815 PYOBWPYYVDONFY-NWDGAFQWSA-N 401.363 1.002 30 10 HDEE CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857298 GKPLWADMVZSQFU-NSHDSACASA-N 402.347 1.239 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282858786 CNQNEIACVVNXFK-QGZVFWFLSA-N 401.359 1.378 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCN(CCF)CC2)OC1(C)C 2282878009 ZTVHRGVMSHPIAE-UHFFFAOYSA-N 404.338 1.323 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@H](O)C2CC2)OC1(C)C 2282880884 OGKFFNRGCPINQG-CQSZACIVSA-N 401.359 1.628 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](Cc1cncs1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284404253 XJNYQXAZIBPMGM-LBPRGKRZSA-N 402.303 1.246 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC(=O)O 2284410750 WHZCFTWNSVXJMQ-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H](C(=O)O)O3)cc2Cl)OC1(C)C 2284415211 MDDMBFPAHHVSLR-VIFPVBQESA-N 423.705 1.480 30 10 HDEE COc1cc(C=C2SC(=O)N(CC(=O)N3CCOCC3)C2=O)ccc1OCC#N 2293838590 HLRVLOAIHGRHKV-UHFFFAOYSA-N 417.443 1.493 30 10 HDEE COc1cccc(C(=O)C=CC(=O)N[C@H]2CCCCN2[C@@H]2C(=O)CSC2=O)c1 2320940926 XXQMEBCUDJYECU-IEBWSBKVSA-N 402.472 1.573 30 10 HDEE CCOc1cc(C=Nn2c(C)nnc2SCC(N)=O)cc(Br)c1O 2321124105 FAXHUIXNWLVFBE-UHFFFAOYSA-N 414.285 1.913 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)N(CCOC)CCOC)cc1 2323177784 QCQTXTVUPPFLJA-UHFFFAOYSA-N 420.506 1.638 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2cnsc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2362501353 RDMRMBGTPMMYAF-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2365191754 QWPTYWLNWJKKBI-CVEARBPZSA-N 403.541 1.741 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)[C@@H]1C(C)(C)C 2365209286 FPVPOYKGRHMOBM-CKFHNAJUSA-N 402.557 1.537 30 10 HDEE O=S(=O)(N[C@H]1C[C@@H]2CSC[C@H](C1)C2=NO)N1CC(OCc2ccccc2)C1 2366824010 PDPRBRPIVFSRAW-ZSHCYNCHSA-N 411.549 1.694 30 10 HDEE CC(C)(C)OC(=O)NC[C@@](C#CC1(S(C)(=O)=O)CC1)(OCC(=O)O)C1CC1 2367791637 YLTWYWOHQIEBNR-GOSISDBHSA-N 401.481 1.342 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367817291 RRYHHXYUJZUNQZ-RVKKMQEKSA-N 400.541 1.435 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2375785806 TWWPHWQLSRUJEB-SUNYJGFJSA-N 402.513 1.514 30 10 HDEE Cc1cc(N2CCN([C@@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)n2ncnc2n1 97286932 VVSDEKQHFYPCSW-SFHVURJKSA-N 418.505 1.890 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427274118 KOKSGKUXYSXNRZ-CYBMUJFWSA-N 416.459 1.744 30 10 HDEE C[C@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 466047464 ZKXOILVWFGGJNJ-RDJZCZTQSA-N 405.524 1.057 30 10 HDEE N#Cc1ncn(CC(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)c3ccccc3)C2)n1 501218164 SVMBEQTUTGTZBX-HNNXBMFYSA-N 404.434 1.531 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C 503402123 GNTYJNZWOFARCT-JTSKRJEESA-N 415.538 1.970 30 10 HDEE Cc1cc(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)nn1-c1cccc(C#N)c1 506472714 GQUQTVSGENNWPF-UHFFFAOYSA-N 420.517 1.727 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(Cl)c1 517810907 NLBKZLRZQKKVCG-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCc1c(C)nn(CCC#N)c1C 521078547 OFYCRHPPJMZRMH-UHFFFAOYSA-N 415.519 1.844 30 10 HDEE COC(=O)CCc1nnc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)s1 522934960 QAJNIKJFCKYKCW-UHFFFAOYSA-N 408.461 1.069 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1Cc1ccon1 531683927 AQBJHWJKPYXUND-UHFFFAOYSA-N 409.442 1.957 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN(Cc3nccn3C)CC2)c(OC)c1 532956062 WGJJHKFWTJUTBD-IBGZPJMESA-N 400.523 1.715 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCC(C(=O)NCCCN4CCOCC4)CC3)cc2)CC1 539674478 BMJJEHOPHBORSL-UHFFFAOYSA-N 424.545 1.932 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCN2C(=O)CNC2=O)n1 542965392 XEMMQSZOLFEBRG-UHFFFAOYSA-N 401.814 1.461 30 10 HDEE N#CCCCCNC(=O)C(=O)N1CCN(Cc2ccc(Br)cc2)CC1 553610323 QUJTZPLHVMYXMR-UHFFFAOYSA-N 407.312 1.903 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558565218 ZQRXJKWFPOMKDU-CABCVRRESA-N 401.467 1.105 30 10 HDEE COc1cc(CNC(=O)C(=O)NCc2ccc(C#N)cc2F)cc(OC)c1OC 585691814 BTVCBRBBWYQVAG-UHFFFAOYSA-N 401.394 1.656 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 590041836 IYWMKWCZKSCIKQ-DZGCQCFKSA-N 418.450 1.439 30 10 HDEE Cc1cc(NC(=O)C(=O)N[C@H](Cc2nccn2C)c2ccccc2)n(CCC#N)n1 610952338 XRYNYESFJGGVDX-QGZVFWFLSA-N 405.462 1.877 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2nc(B3OC(C)(C)C(C)(C)O3)cnc2N)CC1 694979592 HAIKPDWQIVZODY-UHFFFAOYSA-N 405.308 1.415 30 10 HDEE C#CCN(C(=O)c1ccc(N2CCN(C(C)C)CC2)cc1)[C@H]1CCS(=O)(=O)C1 729335728 URCRVWLZBOFDNL-FQEVSTJZSA-N 403.548 1.480 30 10 HDEE N#Cc1cnn(CCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1N 729809545 YJOYZGNMFBAWEU-ZDUSSCGKSA-N 409.493 1.185 30 10 HDEE CCCCN(C)C(=O)c1ccccc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 732669020 FRIDKRBEECTLGI-QGZVFWFLSA-N 404.536 1.920 30 10 HDEE CN(C1CC1)S(=O)(=O)c1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732700942 VJXIEEFAKBJHHM-QGZVFWFLSA-N 403.508 1.674 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2Cl)CCN1C1CC1 736018117 FXGZLSPVKUWYND-OAHLLOKOSA-N 408.911 1.692 30 10 HDEE CS(=O)(=O)c1ccccc1-n1cc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cn1 743183706 ORCJXJFBLQMRMB-MRXNPFEDSA-N 414.491 1.480 30 10 HDEE Cc1cc(NC(=O)COC(=O)Cc2cccc(C#N)c2)n([C@@H]2CCS(=O)(=O)C2)n1 750433216 XDTCOMMCXRQTEQ-MRXNPFEDSA-N 416.459 1.147 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCCN1c1ncnc2ccccc12 750778739 SCIWHJQOWRBKGH-JIQGDJCJSA-N 406.446 1.241 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(C[C@H]4CCOC4)c3=O)cc2s1 755048009 LQNCWXJEMNEOHI-CQSZACIVSA-N 408.508 1.891 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3c(S)nnc3-c3cccs3)CC2)n1 761042984 OTFBIGXIZDRBCG-UHFFFAOYSA-N 411.516 1.911 30 10 HDEE C#CCOCCC(=O)NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1F 761164666 XGMUNLMBFRDYHO-UHFFFAOYSA-N 422.228 1.220 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](c1ccc(C(=O)OC)cc1)C(F)(F)F 776021566 AWKBWQSPRBJKRT-CYBMUJFWSA-N 408.398 1.977 30 10 HDEE C[C@@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 780207538 WSNCEFQFODUXTP-FOIQADDNSA-N 409.442 1.578 30 10 HDEE C=C[C@@H]1CCCCN1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 787201129 WBKKMSDMQQENIQ-LLVKDONJSA-N 408.304 1.661 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(F)c(-n3nnnc3C)c2)n1 788596418 GDMMIRJTESZYHG-UHFFFAOYSA-N 412.429 1.620 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1 789322696 NUSTZQNTQUXXLV-UHFFFAOYSA-N 406.389 1.925 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=Cc2nccnc2OC)c([N+](=O)[O-])c1 792872608 OTLXZIABKOVUAW-UHFFFAOYSA-N 408.440 1.870 30 10 HDEE COc1cc(CNC(=O)C[C@H](C)NS(=O)(=O)c2cccnc2Cl)ccc1C#N 793264843 IARKUPAHMMIQON-LBPRGKRZSA-N 422.894 1.989 30 10 HDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccnc(C#N)c1 793858609 OKRBNJDNDKZNQN-QGZVFWFLSA-N 415.494 1.979 30 10 HDEE C[C@H](C(=O)O[C@@H]1CCc2c(OCCCS(C)(=O)=O)cccc21)n1cnc(C#N)n1 798834144 UPFHHCZQZAMVJO-CXAGYDPISA-N 418.475 1.755 30 10 HDEE CN1/C(=C\C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)C(C)(C)c2ccccc21 807223874 KHXIXCZLQRNVQH-FAYSWJFSSA-N 423.469 1.521 30 10 HDEE Cn1nccc1-c1ccccc1C=c1sc(=C(C#N)C#N)n(Cc2ccon2)c1=O 814249765 AADVDNBYQFNKFU-UHFFFAOYSA-N 414.450 1.373 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCS(=O)(=O)Cc2ccccc2)CC1 916637277 XWSNOGOGAAQEJY-UHFFFAOYSA-N 413.503 1.400 30 10 HDEE Cc1ccc(CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1084141274 ZXIMEFCFQCEVCR-UHFFFAOYSA-N 400.512 1.844 30 10 HDEE COc1ccccc1C=NNc1nnc(SCC(=O)Nc2nccs2)n1N 1084333741 XVNCDPPGVBAQLZ-UHFFFAOYSA-N 404.481 1.634 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1 1127142361 XOJIPQMVLHPRGQ-HOCLYGCPSA-N 412.494 1.999 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ncc4c(n3)CCOC4)CC2=O)cc1Cl 1130582106 GISPVHWXLRAHNN-ZDUSSCGKSA-N 411.849 1.744 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(Cl)c(F)c2)cc1 1140865485 GTBBDNYAPPIWGO-UHFFFAOYSA-N 411.842 1.824 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2c2ccc(F)cc2)cc1 1140915127 AXXKIUMEVWNBQJ-SFHVURJKSA-N 403.435 1.576 30 10 HDEE Cc1cc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)cc(C)c1C#N 1147643858 HWSFNVQAHVSZCP-UHFFFAOYSA-N 412.534 1.866 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2ccc(O)cc2)ccc1F 1153803960 PPTDCBUGFGGLJG-KRWDZBQOSA-N 422.434 1.640 30 10 HDEE COc1ccc(C(=O)N[C@H](C#N)CO)cc1S(=O)(=O)N1CCCc2ccccc21 1157962787 JGMDOYOINDVRGC-MRXNPFEDSA-N 415.471 1.451 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1159038627 PEEKRDOCVVXWBX-ZIAGYGMSSA-N 424.523 1.910 30 10 HDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1159132195 GOWBPCWJTRXBSG-MRXNPFEDSA-N 407.467 1.500 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CS(N)(=O)=O 1169750899 BCZQNSMOAWDLCG-STQMWFEESA-N 409.936 1.692 30 10 HDEE C[C@@](CO)(Cn1cnc2ccccc21)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1180721919 XJPCOSMQPAIXDY-SBUREZEXSA-N 417.469 1.828 30 10 HDEE N#CCC(=O)N1CCN(c2ncnc3ccc(I)cc23)CC1 1186881621 UXUVBUDVHIWGBG-UHFFFAOYSA-N 407.215 1.797 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cccc(COCC(F)(F)C(F)F)c1)C(=O)OC 1212123464 NLQAMYJEIGMLJO-CYBMUJFWSA-N 411.373 1.947 30 10 HDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1227631214 FREJPWBCMDHXSX-QZTJIDSGSA-N 410.478 1.042 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1248375901 QGMWRZOCJHIFAY-OALUTQOASA-N 424.505 1.248 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1254599160 MGAUBPRLRGFNEH-HNNXBMFYSA-N 410.492 1.320 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1286275937 PTFYBOMFKZJAGN-UTKZUKDTSA-N 406.527 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOCC2)cc1 1286304955 ZAAVAQQSGIPUCB-GOSISDBHSA-N 422.533 1.743 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1286311886 NLKPIUTZKACXGS-UWJYYQICSA-N 401.511 1.702 30 10 HDEE C#CCCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1286316058 GAGUZZZYHIYVIM-QGZVFWFLSA-N 409.450 1.871 30 10 HDEE C#CCCCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286334636 JSSRZTXNUIEUKG-GHTZIAJQSA-N 403.527 1.839 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)COC)[C@H]1CCS(=O)(=O)C1 1286388321 NIXVUUDFAJGUDU-WMZOPIPTSA-N 402.520 1.854 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@@H]1OC 1286460889 KZRJRASNUWPJIG-SJORKVTESA-N 412.494 1.827 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1286505873 MQHZRZAMLBOIBE-KRWDZBQOSA-N 422.551 1.998 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC)C1 1286562815 TWKYKWUZTMPVSK-NJAFHUGGSA-N 402.499 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccco2)C1 1286820385 KRWYQRCVKNEZNK-RDJZCZTQSA-N 422.507 1.554 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1293370274 HBLCQYJEZYFBBG-UHFFFAOYSA-N 417.509 1.768 30 10 HDEE Cc1nnc(S)n1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1293742895 IJMGKIXNXFDVBZ-BIWSTMPVSA-N 420.539 1.778 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1294887042 DDMDBMZAEWYHMM-GOSISDBHSA-N 412.494 1.585 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCCC[C@@H]3N3CCCC3=O)C2=O)cc1 1297333021 AFLJXXKYCUJQTC-AQNXPRMDSA-N 408.502 1.957 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H]1CCCN(O)C1=O)Cc1ccccc1 1298543070 LSTDLGNGRQTIEG-KRWDZBQOSA-N 420.510 1.510 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCCNC(C)=O 1300458994 OLALFQKEENBYBW-QGZVFWFLSA-N 418.542 1.988 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1300482922 IYWAZGYSYKAIQB-QGZVFWFLSA-N 418.519 1.617 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1 1300512454 QARQRCDQEWGBAG-KNKQGSTJSA-N 400.523 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCC[C@@H]1NC(=O)NC1=O 1300574649 FENGCLXDGDTGNG-KRWDZBQOSA-N 405.462 1.100 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CC(=O)NCC(F)F)CC1 1300690125 CGRDITIETQQDOA-UHFFFAOYSA-N 416.476 1.644 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N2CCOCC2)CC1 1300693315 WMYAENJUYWFUON-IBGZPJMESA-N 419.533 1.293 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2CC)CC1 1300699794 HWXRZMSFWVQTRH-CEXWTWQISA-N 419.595 1.762 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1301037273 SBRHAJUZMGQDBD-OAHLLOKOSA-N 424.933 1.351 30 10 HDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1301194883 QOYBAHJZQIDXJZ-CQSZACIVSA-N 402.524 1.938 30 10 HDEE C=CCN(C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1301278158 GJMSFWRURKAHNZ-LJQANCHMSA-N 402.476 1.863 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H](CCSC)NC(=O)c1ccccc1Br 1301292515 YFLPSJDDXHQLEG-BXUZGUMPSA-N 401.326 1.964 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCCCC2)C1 1301480706 DEEZXTDMFLJVMH-KRWDZBQOSA-N 421.542 1.844 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC(C)(OC)C1 1301497337 SVUGAMTWQNWOTM-UHFFFAOYSA-N 407.478 1.658 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)C[C@H]2C)c1 1303791705 YVRNEDAEVHFZSW-MRXNPFEDSA-N 400.504 1.897 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2nc(C)cc(O)n2)CC1 1303982907 BNXHRAUBRBWDFT-INIZCTEOSA-N 417.510 1.882 30 10 HDEE CC[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1305844766 AQPYKOKEQBKHLS-UONOGXRCSA-N 404.496 1.423 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H](c3ccccc3)N3CCOCC3)CC2)cn1 1311435047 FXBNRJQTKYVXHH-JOCHJYFZSA-N 420.517 1.858 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2Cc2cccc(C(F)(F)F)n2)CCO1 1316537691 DUJRWJYJKJRLQK-CYBMUJFWSA-N 416.367 1.926 30 10 HDEE Cc1c(C(=O)N2c3ccccc3CC[C@@H]2C(=O)N2CCN(C)CC2)cnn1CCC#N 1355720726 QYPLUIQRNQUIKP-OAQYLSRUSA-N 420.517 1.841 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1(C)CC1)[C@H]1CCS(=O)(=O)C1 1358955459 MMAPTCMEZKETFE-INIZCTEOSA-N 421.567 1.623 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(OC)nc1OC 1359024262 JMCYLVLRMACFDT-MRXNPFEDSA-N 401.467 1.329 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)CN1CCOCC1 1359024305 KIQNIHVOPHSIIQ-MOPGFXCFSA-N 405.543 1.574 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCSCCCO)CC1 1359036803 JPQJIOUFZBEBMS-UHFFFAOYSA-N 417.554 1.879 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(-n3cccn3)cc2)CC1 1359039791 WCOPDLWJKZIUHW-UHFFFAOYSA-N 419.533 1.998 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(C(N)=O)CCOCC1 1359280460 RMQKTZSLYZJTIC-UHFFFAOYSA-N 402.499 1.205 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1359287591 MZGKXDMFZYOXRD-QGZVFWFLSA-N 421.567 1.595 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1C(C)(C)C 1359306084 VNBGFQALEBEJJF-INIZCTEOSA-N 404.559 1.567 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC2CC2)C1 1359318528 GXWBAKRTDKDQIO-KRWDZBQOSA-N 419.551 1.890 30 10 HDEE CC(C)(C)OCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1359584410 AAXBCVZDEXUSPZ-CYBMUJFWSA-N 402.455 1.550 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1360288841 IFCFAGUMWYWJGQ-UHFFFAOYSA-N 418.461 1.400 30 10 HDEE C#CCN(C(=O)C(F)(F)c1ccccc1OCC(=O)N(C)C)C1CCN(C)CC1 1439601321 GSPUNYQCHTZWMV-UHFFFAOYSA-N 407.461 1.801 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCc3nn[nH]c32)c1 1441633284 VCDNLUFUZOMJGU-USIKMKBCSA-N 402.480 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCC3(O)CCOCC3)C2)C1 1449306017 XBVPKAHEXLRYPO-LFDOHDQPSA-N 407.511 1.821 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)NCC#C[C@@H]3CCCCO3)CC2=O)cc1OC 1457030424 NSIYQBNLZWVTFJ-MOPGFXCFSA-N 414.502 1.784 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C[C@@H]1C(=O)OC 1457150070 ZEQPZFGMVLYXKD-CALCHBBNSA-N 415.446 1.134 30 10 HDEE CS(=O)(=O)Nc1cccc2c1CCN(CC#CCN1C(=O)c3ccccc3C1=O)C2 1459349821 UFRUYSREERTMRZ-UHFFFAOYSA-N 423.494 1.716 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(n3cc(C(=O)OC)nn3)CC2)c1 1459915693 HNXALVSITXUHMI-UHFFFAOYSA-N 410.434 1.031 30 10 HDEE N#C[C@@]12CN(CC(=O)N[C@@H](c3ccccc3)c3nccs3)C[C@H]1CS(=O)(=O)C2 1460828170 GNZBYLQRVHVSMO-IEZWGBDMSA-N 416.528 1.219 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCc1ccc(C#N)cc1 1461529090 GJHFAOGTZPZGDD-UHFFFAOYSA-N 413.499 1.860 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1 1462090979 CEJBVPUZPPFPLG-UHFFFAOYSA-N 423.498 1.713 30 10 HDEE C=CCN1CCC(NC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1464922693 VDUGJFJXSVZWAL-UGKGYDQZSA-N 401.507 1.915 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1465317725 MYGMXEPNJUTRFG-AWEZNQCLSA-N 401.460 1.295 30 10 HDEE Cc1cc(NCCNC(=O)CCCC(=O)Nc2ccccc2C#N)n2ncnc2n1 1465584979 LJANHBZWRGVVCX-UHFFFAOYSA-N 406.450 1.642 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)[C@H](C#N)C1 1469728397 GOKJXBAVIPFPSD-VAQLIOGMSA-N 412.512 1.153 30 10 HDEE CON=CC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1470406369 JYFHXGNFQUBSRK-HNNXBMFYSA-N 420.514 1.805 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC(=O)c1cnn(C)c1 1472176879 BYEZWTFZDLOWDI-UHFFFAOYSA-N 421.251 1.831 30 10 HDEE CN1CCO[C@H](C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1472182066 HBIMTRJIMVHCLK-RNJXMRFFSA-N 410.261 1.473 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)C1CCOCC1 1479008613 VHXOKZPJIVOXFW-SFHVURJKSA-N 400.435 1.491 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1503610777 CVTQZSJKSPTSRZ-IAQYHMDHSA-N 403.384 1.165 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1Cc1ccc(C#N)o1 1504984781 USFDDOJXTPNMGB-HUUCEWRRSA-N 416.482 1.607 30 10 HDEE C=CCNC(=O)CN1CCC[C@@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1505475597 NLFCCMJQJKSOSF-YENHRIDLSA-N 401.551 1.663 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnn(C)c2)CC1 1507569399 FMLRHMVSGRUWMR-UHFFFAOYSA-N 410.526 1.264 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCc2nccn2C1 1507659701 CYHHIDJJPDYTJW-OALUTQOASA-N 410.522 1.924 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1508086427 YWGXKYUDCRDADV-HOTGVXAUSA-N 416.551 1.799 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCNC(=O)C(C)(C)C)C1 1508108181 FKKQBPIGLLUJNI-HNNXBMFYSA-N 406.531 1.360 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1508318653 WVMKHQOLJRERIG-ZWKOTPCHSA-N 407.478 1.200 30 10 HDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1515720044 VRRPBGXKPXMHRD-HZPDHXFCSA-N 412.560 1.582 30 10 HDEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1519063325 VUQRSVCWSMMQCF-JXFKEZNVSA-N 403.531 1.328 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCn2ccnc2C1 1519161827 BEISMJGMYAXVET-MRXNPFEDSA-N 409.498 1.504 30 10 HDEE CS(=O)(=O)CCn1c(N2CCO[C@@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1519528512 MJZRQQORBFANAT-KRWDZBQOSA-N 415.519 1.521 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCOCC(F)F)CCN1C1CC1 1521137987 WRAKYPQEOAMBCC-KRWDZBQOSA-N 417.464 1.722 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C(=O)OC)[C@@H]3CCC[C@@H](OC)C3)cc2C1=O 1527232766 IVEFZMXWGGUMHB-SIIHOXLZSA-N 414.458 1.945 30 10 HDEE CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(Br)cc2)C1=O)[C@@H](C)C#N 1530026899 RTLFXZSTJIRBKO-APPDUMDISA-N 407.268 1.977 30 10 HDEE C[C@@H](C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1532962718 AQBTUBCGOJUGGT-KBXCAEBGSA-N 412.490 1.609 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 1534591507 ICQRWVPHROSTEQ-UHFFFAOYSA-N 400.501 1.682 30 10 HDEE C=CC[C@]1(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1535384029 YELFKNJNQWOCBG-RTBURBONSA-N 416.540 1.652 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)c1 1536467984 USHCDPYOQUWRFM-LYHPXFHOSA-N 421.375 1.830 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1cccc(OCc2ccccc2C#N)c1 1538931598 MENYNCXYOXDJAL-IBGZPJMESA-N 407.426 1.593 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539062994 JCTJXPZNWYJYKT-KRWDZBQOSA-N 400.508 1.109 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1539259512 DOADRAUGHRAIJC-QGZVFWFLSA-N 424.505 1.047 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1539722488 OCQUJFORCWNJPE-GJZGRUSLSA-N 405.455 1.221 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)CC1)c1ccccc1 1539765194 DFJNQWGPTSKLFZ-UHFFFAOYSA-N 412.538 1.898 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(CCC(N)=O)CC1 1540872780 ACAHENCGMBOKIF-UHFFFAOYSA-N 411.510 1.048 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@](C)(OC)CC1 1540874188 XTEPEKKDGKNKRQ-FQEVSTJZSA-N 404.515 1.098 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]2[C@H](C(=O)N(CCC#N)CCN3CCOCC3)[C@@H]2C1 1542438779 VZQNUOIJTIQLHP-KSZLIROESA-N 406.527 1.564 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnnn1C 1554242445 FHDIRFYXTJVGBO-INIZCTEOSA-N 408.466 1.378 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1 1555581330 FZEQATJJXKEMJP-UHFFFAOYSA-N 407.478 1.930 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2CC[C@H](c3ccccc3)NC2=O)n1 1556460766 BYWDKVOLFKJKHI-HXUWFJFHSA-N 409.490 1.648 30 10 HDEE N#C[C@]12CN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1558643012 JNNKMOUUQARKBW-OXJNMPFZSA-N 416.503 1.327 30 10 HDEE Cn1c(=O)nc(O)c2nc(CCC(=O)NCC(F)(C(F)(F)F)C(F)(F)F)[nH]c21 1559018324 YNACKYGFYYOFNJ-UHFFFAOYSA-N 419.257 1.244 30 10 HDEE CNC(=O)CN1CCC(NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1563447057 CQCLKVMPRVJNLF-UHFFFAOYSA-N 412.538 1.032 30 10 HDEE CN1CCN(C)[C@H](CNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1564019508 AAYHBUQDDBQXKG-LJQANCHMSA-N 422.537 1.026 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)cnn1CCC#N 1565697937 QTHUJPHEJHYUGV-WMZOPIPTSA-N 400.527 1.558 30 10 HDEE C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)Oc2ccccc2NC1=O 1584786948 FTINMAAEPIPUOK-VGOFRKELSA-N 404.426 1.960 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(Br)ccc2C2CC2)c(=O)nc1O 1585295720 JWZLASASLCAWJE-UHFFFAOYSA-N 403.236 1.890 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)CC1 1586691010 GAHLUNPHSQRCQD-IBGZPJMESA-N 410.449 1.573 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1587852688 XPLSSONGWPZGRY-MRXNPFEDSA-N 424.465 1.272 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588166685 NCFFYBXBCNEARZ-ROUUACIJSA-N 419.551 1.092 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N[C@H](C)CC)CC1 1594014758 VTLOQBDKRCEOHL-CABCVRRESA-N 412.560 1.350 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1cnn(C)c1 1594896441 YIUGTJXOWMYUFD-UHFFFAOYSA-N 415.523 1.599 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CC[C@H](CO)O1 1595191353 QCKNBCYXBMMZND-RBUKOAKNSA-N 422.493 1.639 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)CCOCC1 1596539724 UZDGXFBKLHDNNX-UHFFFAOYSA-N 405.303 1.960 30 10 HDEE COC(=O)[C@H](CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)[C@H]1CCOC1 1607762289 RXKTYKQUAGTVEG-OFQRWUPVSA-N 419.865 1.506 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cn1 1617916904 LSSJKIROWVHQHJ-QGZVFWFLSA-N 400.460 1.417 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1619679897 HIVAICPHMHLSCF-IYJAJMOOSA-N 420.445 1.627 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CS(N)(=O)=O)C1 1625924908 YPTHUJJERZNVOY-STQMWFEESA-N 409.936 1.549 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CS(=O)(=O)C[C@@H]2C(F)(F)F)c1 1626149860 JKIUFTFSDWUQBY-KGLIPLIRSA-N 402.394 1.288 30 10 HDEE C=CCN(C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@H]1CCS(=O)(=O)C1 1630846785 BPWWLNJCMLDDHZ-YNEHKIRRSA-N 408.467 1.594 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)cn1 1632070438 ALMSGNDJGVTQMS-FQEVSTJZSA-N 407.522 1.834 30 10 HDEE N#C[C@H]1CN(C(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)CCN1C1CC1 1632095706 ZUQWBFGROUOJIE-ZDUSSCGKSA-N 416.825 1.952 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1 1632611797 KFFHURRPQLZGNM-CQSZACIVSA-N 414.487 1.178 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1nc(O)c(C#N)cc1C 1634925206 DYFTWSGBCDJILB-CQSZACIVSA-N 418.450 1.592 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)nn1 1638482631 PNHURMARAXCMOI-OXQOHEQNSA-N 418.498 1.787 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@H]2COc2ccc(Br)cc2)c(C#N)c1=O 1640478061 KXHGIUWBJWDZRB-LBPRGKRZSA-N 405.252 1.756 30 10 HDEE Cn1c(=O)[nH]c(N2CCC3(CCC[C@@H]3CNC(=O)OC(C)(C)C)CC2)c(C#N)c1=O 1640539883 QOJRCAPZTKEFRH-CQSZACIVSA-N 417.510 1.857 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1641103295 AYIMPCRJYAHFEV-IBGZPJMESA-N 407.492 1.669 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1641718721 FSHKDLZNFPWKJB-ROUUACIJSA-N 424.542 1.523 30 10 HDEE C#CCC1(O)CCN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CC1 1641820471 UZCDKNGPMPCKFY-UHFFFAOYSA-N 405.458 1.831 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(C)(C)CO 1643253346 GPVOHMOEZGIONN-UHFFFAOYSA-N 401.467 1.405 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1643774781 YYOJJKHPNSTOIK-AEGPPILISA-N 407.492 1.462 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN(C)[C@@H](CO)C2)n(Cc2ccc(F)cc2)c1C 1644091198 VTUWFFLEOCYRLV-LJQANCHMSA-N 413.497 1.711 30 10 HDEE C=CCCC[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)OC 1644819429 JBRYACWBQLGKAE-OAHLLOKOSA-N 411.476 1.636 30 10 HDEE CCOC(=O)C1(NCC#CCN2C(=O)c3ccccc3C2=O)Cc2ccccc2C1 1644832793 KIHUCYPGEFRMQZ-UHFFFAOYSA-N 402.450 1.976 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(F)(F)OC(F)(F)C3)C2=O)cc1 1644985132 WJQXZGDSNPTLIO-GFCCVEGCSA-N 414.315 1.808 30 10 HDEE C[C@@]12CN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C[C@]1(C)CS(=O)(=O)C2 1648247323 KRAUZNWDWPAJEQ-BGYRXZFFSA-N 413.503 1.439 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 1648366248 HVFWEYMGUIRITN-UHFFFAOYSA-N 423.535 1.049 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1649539427 FDZKYLJUZGTAGX-QGZVFWFLSA-N 422.537 1.739 30 10 HDEE C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1649563293 GWOSHMYXHWUMFO-UWJYYQICSA-N 415.542 1.365 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H](O)Cc1ccc(F)cc1 1652034179 MPNVKSUIUHHPNC-SUMWQHHRSA-N 405.451 1.084 30 10 HDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc4[nH]c(=O)cnc4c3)CC2)c1 1655847815 HMADPSHPCSBMQJ-UHFFFAOYSA-N 423.498 1.738 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)C[C@H]1CCC2(CCOCC2)CO1 1664295625 PMRXLSQAYHQPAC-MRXNPFEDSA-N 401.525 1.569 30 10 HDEE COc1ncc(NC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)cc1C#N 1674772785 HFIGDHJMGSNKHM-WBVHZDCISA-N 414.510 1.806 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1682701868 OVEUGJFFNVNYGU-CVEARBPZSA-N 412.468 1.248 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)C1 1685180075 GHEZFZOEUVVDPP-DZKIICNBSA-N 407.458 1.235 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1686368931 ZVLPRXXRLANYSP-IEBWSBKVSA-N 401.482 1.898 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2cnn(C)c2)c1 1689871799 FPIOQBLXMMMVPK-GOSISDBHSA-N 419.489 1.620 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1689998704 UHGQCUJNPOUYLT-MIALQEHNSA-N 422.551 1.307 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(COC)CCC2)CC1 1690109000 CGFRRPILJOYERI-UHFFFAOYSA-N 414.554 1.476 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1690316217 AMNNUOCMWASBER-UHFFFAOYSA-N 412.485 1.380 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1690328022 COWLNCKMICSYRY-XEZPLFJOSA-N 419.935 1.025 30 10 HDEE C=CCC(C)(C)Cn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690419696 ZIRJHSZRGMGSIU-UHFFFAOYSA-N 402.543 1.931 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCCOC)CC1 1690666802 HGQUJLLKALHPTP-UHFFFAOYSA-N 424.505 1.751 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1690749355 AJEXGGXELJTMGO-QGZVFWFLSA-N 420.583 1.624 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1692851607 FYUWGRJVLMJSCK-QFBILLFUSA-N 407.540 1.737 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1 1693854157 CPZDTUADBUQJBV-QRWLVFNGSA-N 415.519 1.822 30 10 HDEE CCc1cnc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)s1 1694567247 CKCFMDSCNGIOJU-HNNXBMFYSA-N 412.523 1.936 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@](C)(C#N)C1 1696588060 BMBHLXYICYXPAA-HXUWFJFHSA-N 420.481 1.139 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1705477772 RSQZGKNJGHRJHG-LSDHHAIUSA-N 405.524 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N1CCOCC1 1705548332 DBCFKHQZYIRSLK-UHFFFAOYSA-N 411.462 1.035 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)cc2)CC1 1705649401 WKAFKIDRLZXNNW-UHFFFAOYSA-N 421.480 1.832 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1705663974 TWJOFLAQWROIFM-GOSISDBHSA-N 416.595 1.340 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1 1705695526 BREIUGWVCFZBLD-JONQDZQNSA-N 413.544 1.095 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705734530 RVSGWWSBFZWBFU-HDICACEKSA-N 415.542 1.873 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1705787586 XESQDZFPQWXYIX-UHFFFAOYSA-N 417.558 1.968 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC(C)(C)C1 1705830238 LMTDCVZXGJPYIZ-CVEARBPZSA-N 412.556 1.777 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(O)CCSC1 1705842699 RQALIUVAAIZYPC-FQEVSTJZSA-N 415.567 1.942 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1705907806 YCRIPRYIVXGQAX-CYBMUJFWSA-N 401.496 1.310 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)CC)n1CCN/C(O)=C1\N=CC=CC1=O 1708704166 BTWIPZGANUTOGY-BMRADRMJSA-N 403.487 1.179 30 10 HDEE CCOCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1710806472 QXFMRNPXRMUHID-UHOSZYNNSA-N 418.542 1.605 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1nncn1CC 1722350079 LBOHDWSQUFGQEF-UHFFFAOYSA-N 417.477 1.404 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1722362581 VACZYZPMEXGKJZ-OXJNMPFZSA-N 415.519 1.536 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1722405701 PSGXHCRQQADMKH-MHZLTWQESA-N 420.560 1.719 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1722424326 JPRAAIMKYXMZIO-VZCXRCSSSA-N 420.473 1.558 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCN(C2CC2)C1 1722428416 YWHPWNHWDTZWFE-IBGZPJMESA-N 411.554 1.710 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](COC)C1 1722495495 XHQIXGFRMQJVHH-KSZLIROESA-N 403.527 1.968 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1722523129 CELUODUTQSITMO-GJZGRUSLSA-N 406.512 1.832 30 10 HDEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1722596561 KRUMIESHYHCNSF-ZWKOTPCHSA-N 408.506 1.347 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3CC[C@@H]32)nnc1[C@]1(OC(C)C)CCOC1 1722703520 AVSCCOJBJXLWTK-WWMYMODYSA-N 403.527 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@H](C)N(C)C)C1 1722716238 XAVUMJDMZRHLSI-LSDHHAIUSA-N 402.499 1.737 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC#N)CC1 1727925071 CHMCBXSSXSRFGV-DOTOQJQBSA-N 415.542 1.912 30 10 HDEE COCCn1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1730772529 OGGIBBNVLXXZAN-VQIMIIECSA-N 403.462 1.505 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1730785138 FNLISNVXHYJPDS-IBGZPJMESA-N 412.494 1.001 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1Cc1ccc(C#N)o1 1730848329 YIXYNIATGJARFH-XOBRGWDASA-N 414.466 1.231 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H](C)N1CCOCC1 1740549080 KSTBCONJQSWQAN-ABSDTBQOSA-N 411.506 1.969 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1740664046 YJKISQUAXKVLDT-OAQYLSRUSA-N 419.526 1.060 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2nc[nH]n2)cc1 1740678241 GIPPUFZPFOQGCF-UHFFFAOYSA-N 422.493 1.336 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCCC3)nc2)CC1 1740703476 UXJOAAUHMSOFIH-UHFFFAOYSA-N 407.522 1.596 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740705019 ASVKUYJBHKDICF-QVKFZJNVSA-N 401.511 1.051 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740962970 VHEGYXGCKPRORA-GOSISDBHSA-N 402.543 1.666 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCOCC2)C1 1740982492 WFIYRSFJLZLIQE-QUCCMNQESA-N 412.538 1.766 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)CN(C)C2=O)c1 1742113593 YCOYQTYXYSPNOF-AVRDEDQJSA-N 424.505 1.681 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCC(OC)CC1 1747212686 HCHCUVDIOJXSGC-QGZVFWFLSA-N 406.531 1.433 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](NC(=O)CC)C1 1748765564 LPYWGEPIAUQZNI-LNLFQRSKSA-N 403.527 1.911 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccnc1OCC)[C@@H]1CCS(=O)(=O)C1 1748801877 IIINJRZGOBLCFA-QGZVFWFLSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1C[C@@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1748817620 NFBIGTZEKACWKN-CEXWTWQISA-N 421.611 1.835 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1748817646 NOEGEFNWMSZFTK-MOPGFXCFSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CC(=O)N1CCOCC1 1748848884 WOCZYXZKGKNQGA-UHFFFAOYSA-N 413.428 1.079 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@H](C(N)=O)C1 1749023978 BHNSLMJFGNKICT-CQSZACIVSA-N 415.519 1.640 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749037880 HOMNDIGCRZZPMI-DNVCBOLYSA-N 405.524 1.569 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)c(F)c1 1749465624 UWUSKTHDRUBVKA-ZDUSSCGKSA-N 410.519 1.764 30 10 HDEE COCCOCCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1750093267 QSIDNHKBYDDTSL-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)C1 1750380665 WEONOJLGHPJRHP-QGZVFWFLSA-N 412.372 1.729 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCS(=O)(=O)C1 1751672426 BULPHOXCUMVYHE-DLBZAZTESA-N 415.519 1.807 30 10 HDEE Cc1nccn1CCCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1751807008 WSUYOWARJQCNGV-UHFFFAOYSA-N 404.478 1.738 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1 1752423337 BNIOEQVRZSNALW-QGZVFWFLSA-N 420.521 1.907 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1Cc1nncn1C 1760241077 OANMSRLHLICTLA-UHFFFAOYSA-N 405.441 1.634 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(O)(CC)CC 1760249128 WEPPWYXRJSKJSM-UHFFFAOYSA-N 403.483 1.643 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCC1 1760250272 XULAJBZTAGJEEC-OAHLLOKOSA-N 412.581 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCC(=O)NC(C)(C)C)CC1 1760265336 XNPHZBXOZDMZJS-UHFFFAOYSA-N 416.570 1.846 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCSC2(CCOCC2)C1 1760356259 JLZLHTYLZGVQGB-INIZCTEOSA-N 421.567 1.924 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CC1 1760389888 WCFWDVOBOOKXKO-QGZVFWFLSA-N 409.556 1.958 30 10 HDEE CC(C)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760967967 OTSDTSUUDXLSGN-WMLDXEAASA-N 419.507 1.554 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)N(C)C 1761396063 JRYWZVLUCHJVTL-SUMDDJOVSA-N 407.522 1.729 30 10 HDEE Cc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)CN(C)C1=O 1762597087 JDDQXQHOTHAXSN-JOCHJYFZSA-N 407.522 1.649 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N(C)[C@@H](C)CC#N 1767844300 GSHIZELDWMAFSW-UONOGXRCSA-N 424.502 1.845 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC=CCO2)CC1 1769137977 UJVOBXIULNWUNT-IBGZPJMESA-N 422.489 1.457 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCNC(=O)C2CCC2)cc1 1771532208 RTUWVTWIFRSXEG-GOSISDBHSA-N 421.505 1.435 30 10 HDEE C#CC[C@H](F)C(=O)N1CCC(c2nn(C)c(=O)n2Cc2ccc(OC)cc2)CC1 1850355945 HVPZJZXHAYGVJB-SFHVURJKSA-N 400.454 1.706 30 10 HDEE C=CCN(C(=O)c1nnn(-c2cc(C)ccc2F)c1COC)[C@H]1CCN(C)C1=O 1850862047 GYNNHWCISDZVKV-HNNXBMFYSA-N 401.442 1.720 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)c3cncc(I)c3)CO2)nc1 1851864754 AHTIAWTUDARFPV-CYBMUJFWSA-N 422.182 1.930 30 10 HDEE COc1cccc(N2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852449467 WYWRGHYTPALELN-QAPCUYQASA-N 408.414 1.678 30 10 HDEE CC(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)CC1 1852797594 XHCJDMHQFXDWIH-UHFFFAOYSA-N 420.395 1.865 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)C(=O)C2)C1 1853666856 LPMBZOLFFTXPIT-SFHVURJKSA-N 409.490 1.600 30 10 HDEE Cc1cncnc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)CC1 1853675686 NPMRXHUPEHXRRL-LJQANCHMSA-N 404.474 1.610 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cn3cnc4ccccc43)C(=O)C2)cc1 1853869025 RBPQWQZHYFXVJY-UHFFFAOYSA-N 401.426 1.462 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2)C(=O)C1 1853947701 ZQNHAIMXDDVUOI-ROUUACIJSA-N 409.467 1.721 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2F)C(=O)C12CCCC2 1854401977 VXBPTHMXIROGEP-UHFFFAOYSA-N 415.393 1.554 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)[C@@H]3CCCCO3)C2=O)CC1 1854802824 KWUWVZSORBCFFZ-MOPGFXCFSA-N 411.506 1.552 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1Cc1c2c(nn1C)CCCC2 1855689865 OUDXRXIKHBQEPO-INIZCTEOSA-N 405.502 1.973 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)n(C)n2)c1 1856196924 FIKPCIYPXRSJNK-AWEZNQCLSA-N 411.462 1.691 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCOC2)C(=O)C12CCCC2 1856283243 YXLCYFBDDKDUDI-MRXNPFEDSA-N 417.487 1.267 30 10 HDEE CN1CC[C@@H](N2CCC([C@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)C1=O 1856316868 SSLUKRSJXVYGDU-VQTJNVASSA-N 408.502 1.419 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856548906 UHYYUBFRISNGIP-GOEBONIOSA-N 401.488 1.457 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cccc(C)c3)C2)CC1=O 1856787544 PYBKIZUWUQBQKI-SJORKVTESA-N 408.476 1.018 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1COCCO1 1856948161 LCQGRYDXASERIA-OAHLLOKOSA-N 405.882 1.884 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1856954998 CTTBMJJECBWAED-MRXNPFEDSA-N 414.485 1.443 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3cccnc3n2)C1)[C@H]1CCN(C)C1=O 1857299902 WHIWAIHXARGHGS-QAPCUYQASA-N 407.474 1.337 30 10 HDEE COc1cc(/C=N/NC(=S)NCCCNC(C)=O)cc(Br)c1O 1860498045 MDLXYWWFZRCWHC-QGMBQPNBSA-N 403.302 1.488 30 10 HDEE N#Cc1cccc(NC2=C(Cl)C(=O)N(Cc3ccc(S(N)(=O)=O)cc3)C2=O)c1 1863980990 VTFGZSGGAALERC-UHFFFAOYSA-N 416.846 1.637 30 10 HDEE C[C@@H](C(=O)O)N(CCC#N)C(=O)CCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866340016 GCXAAEXLCMIJSX-NSHDSACASA-N 402.363 1.186 30 10 HDEE COc1cccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccc(C#N)cc3)no2)c1 1867147122 YNHNVDLBZGOOLK-SFHVURJKSA-N 406.398 1.951 30 10 HDEE C#CCOc1cn(CCCOCCCC)c(CN2CCC(C(N)=O)CC2)cc1=O 1870559956 VHUIXQWLFJHPHQ-UHFFFAOYSA-N 403.523 1.764 30 10 HDEE C=CCN=c1nc(N2CCN(C(=O)OCC)CC2)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871580938 YXYHTGICQZFRCD-UHFFFAOYSA-N 415.473 1.783 30 10 HDEE CC(=O)Nc1ccc(-c2nc(C3=C(N)N(CCCNC=O)CC3=O)sc2C)cc1 1872724690 OLAXCZAGNCHBDF-UHFFFAOYSA-N 413.503 1.725 30 10 HDEE CN(C)CCN1C[C@@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)CC1=O 1890046326 UXHOYKXGRDGQOI-HNNXBMFYSA-N 411.424 1.614 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1[nH]n(C)cc1C#N 1985194376 PQDLBRQIFIOZRW-KRWDZBQOSA-N 412.494 1.677 30 10 HDEE C=C(Cl)[C@H](O)CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1990706741 SXJIXTXKKKWZSB-ZIAGYGMSSA-N 405.856 1.284 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC[C@H](C(=O)O)C2)CN(C(=O)OC(C)(C)C)C1 2162444632 KEDVYKCDSJCLNF-ZDUSSCGKSA-N 403.501 1.183 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1CNC(=O)OC(C)(C)C 2174779954 ORGJFAYSIFPWEM-ZBFHGGJFSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174785364 YHEBTKZAFWBENT-CZIWCDLHSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)CC1(C#N)CCOCC1 2174786276 IIQOJYHIHVAAIN-UHFFFAOYSA-N 411.471 1.728 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@](C)(=O)C[C@H](C)NC(=O)OC(C)(C)C)cc1C#N 2174787356 SPXBUSDQIVWESM-KPHLJTLVSA-N 416.525 1.961 30 10 HDEE C#CCn1ncc(NCCn2ncc(Br)n2)c(Br)c1=O 2179691878 UVBMLZJFSAUXSB-UHFFFAOYSA-N 402.050 1.105 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2192473832 RIBHNRMSVDIDNG-JKSUJKDBSA-N 402.561 1.643 30 10 HDEE CC(C)(C)OC(=O)N1CC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)(C(N)=O)C1 2217478401 LEFJKSUVQZYGJW-UHFFFAOYSA-N 419.287 1.234 30 10 HDEE CC(C)(C)OC(=O)NC1(CO)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243394500 IQTSGDZBRHLCST-UHFFFAOYSA-N 408.304 1.499 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2243702773 SLHYKIUZMNZLPC-HUUCEWRRSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827758 JOFYIYFDGZWGBL-STQMWFEESA-N 418.303 1.543 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247831202 XRMZOSYBIYUWBB-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE Cn1cc(C(=O)NC2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247913198 RYICMJURVRMOOT-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H]3CCN(Cc4ccccc4)C3)[nH]n2)OC1(C)C 2247916917 HDJQXRHIUNGTKN-QGZVFWFLSA-N 410.327 1.961 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248062342 ZJGGMRAGEBPJJC-BETUJISGSA-N 418.303 1.561 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)NC[C@H]3CNCCN3Cc3ccccc3)c2)OC1(C)C 2255702044 AEQVUWFEYJSZMX-LJQANCHMSA-N 424.354 1.518 30 10 HDEE C#CCCN(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258162241 NGJIFOMAIUPSRR-QGZVFWFLSA-N 410.492 1.520 30 10 HDEE CC1(C)OB(c2ccnc(-n3nc([N+](=O)[O-])nc3Br)c2F)OC1(C)C 2265960457 XUDQNRSPKCGWRE-UHFFFAOYSA-N 414.000 1.771 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2CC3(CCC4(CC3)OCCO4)C2)OC1(C)C 2281928409 MNIOPIDEVBEWAV-UHFFFAOYSA-N 403.288 1.468 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCOC[C@H]3CO)sc2Cl)OC1(C)C 2281963362 KPYIFTMCGJAUHC-PWSUYJOCSA-N 401.721 1.828 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)C[C@H]3CO)sc2Cl)OC1(C)C 2281970420 QUINOYXEVGJRRJ-WDEREUQCSA-N 401.721 1.659 30 10 HDEE Cc1cc(S(=O)(=O)N[C@]2(C)CCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282300433 GDKJPMDXQSLNON-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C[C@@H](F)C1 2282313375 KLIGXWWDPZYJFI-NEPJUHHUSA-N 405.322 1.449 30 10 HDEE COC[C@H]1C[C@@H]1CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501670 ACDOIJZNUXTTAI-ZIAGYGMSSA-N 401.359 1.749 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)C[C@H]2CCN2)c1B1OC(C)(C)C(C)(C)O1 2282503769 FTLCBWVXSGAFKE-CYBMUJFWSA-N 400.375 1.647 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282516953 NFMLUJXPMFNWBC-NSHDSACASA-N 402.347 1.338 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282607562 LEDRQZXQFGWUNF-HIFRSBDPSA-N 405.304 1.333 30 10 HDEE CCN(C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)[C@H](C)CS(C)(=O)=O 2282632246 JAWHJJZHMQJKQH-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CS[C@H]1CCCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282843871 TZNJATSVLWBCCB-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CON(CC(=O)O)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284412845 FJJOORUHUUUVGN-UHFFFAOYSA-N 405.665 1.276 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)[C@H](C)C1=O 2351188805 QZWGRAVZIRJINP-QLVMHMETSA-N 401.463 1.617 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@@H](O)c1nn(C)cc1I 2361388679 QCDVECSPPBRKNM-WCQYABFASA-N 405.305 1.935 30 10 HDEE CCN[C@H](C#Cc1nccs1)[C@@H](O)c1cc(I)nn1C 2363506791 FXWQJFGPHORRNW-NOZJJQNGSA-N 402.261 1.544 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H](CNC(=O)OC(C)(C)C)C(C)C 2365206578 ZNIQFMHBAZTYRV-OAGGEKHMSA-N 404.573 1.559 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367785472 DTBQLWMTFKBXTN-HZPDHXFCSA-N 401.525 1.590 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@]1(C)CCCN1C(=O)OC(C)(C)C 2367808805 HBSNALITBBTWEN-RKVPGOIHSA-N 400.541 1.306 30 10 HDEE C=CCn1c(S[C@@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2ccccc2c1=O 23349583 PTBIZJKXVWKKDO-ZDUSSCGKSA-N 400.504 1.800 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cc1 47281078 IIPVGHMDPAYJNB-UHFFFAOYSA-N 400.504 1.670 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccn1 102759278 RVXGKJCNZMJRHB-VZCCSQPZSA-N 411.462 1.175 30 10 HDEE N#Cc1cnn(-c2ccccn2)c1NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 170498240 VZMBANCPZMXOOB-CYBMUJFWSA-N 416.397 1.859 30 10 HDEE C=C[C@H](C(=O)O)n1cnc(I)c1I 306296390 LJBXZGZDDMWGIH-SCSAIBSYSA-N 403.945 1.904 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)cnc21 469949609 XOMDMIPNJJUJSO-UHFFFAOYSA-N 419.445 1.352 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)Nc2ccc(C(=O)NCCN3CCCC3)cc2)cc1 474070951 ALQHNMPILWQPOG-UHFFFAOYSA-N 419.485 1.752 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 476230170 SCHULAYCLLQDMT-SFHVURJKSA-N 415.469 1.309 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 481532974 PWPBWIYIUDFVAS-FQEVSTJZSA-N 414.483 1.779 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccc(OCCC)cc3)C2=O)CC1 493507382 VBTFDXFNRNOKKD-IBGZPJMESA-N 414.506 1.027 30 10 HDEE Cc1cccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)c1C#N 502032369 OEPCTTFHYGEIGY-OALUTQOASA-N 424.526 1.744 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3S(=O)(=O)c3ccc(F)c(C#N)c3)no2)cn1 503105048 OBOZLGNXPLJBPR-OAHLLOKOSA-N 418.410 1.243 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(-n3cnnn3)cc2)cc1 503705668 ZOTBZLHUIOGMFG-KRWDZBQOSA-N 405.443 1.688 30 10 HDEE Cc1c(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)nnn1-c1ccn(C)n1 504657746 HYLAXOJECVPDRO-UHFFFAOYSA-N 406.450 1.696 30 10 HDEE CCOC(=O)c1csc(C2CCN(S(=O)(=O)N(C)[C@H](C)CC#N)CC2)n1 509256126 RQDHXYDFNKPHKR-GFCCVEGCSA-N 400.526 1.978 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CC[C@H](NS(C)(=O)=O)C3)c2C#N)C1 532978601 YHRUVIUAWKOYDE-STQMWFEESA-N 410.565 1.697 30 10 HDEE CCN1CCN(CC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C(=O)C1=O 543001723 UDJKULMUCBHFJY-UHFFFAOYSA-N 400.826 1.027 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)CC2)n1 544925677 GYCUWACDAQCMJD-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 549687789 HSUTZUZRKHYDTA-MRXNPFEDSA-N 404.540 1.874 30 10 HDEE COc1cc(C(=O)NCC(=O)NCc2cc(F)c(C#N)c(F)c2)cc(OC)c1OC 550238925 JCAYDBOFLXURIP-UHFFFAOYSA-N 419.384 1.908 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 552629381 IGIAFJCALOSGTD-HTAPYJJXSA-N 417.554 1.178 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 555244949 VDOOMDYFMCXWIM-GJZGRUSLSA-N 417.526 1.922 30 10 HDEE C=CCOC[C@H]1NC(=O)N(C2CCN(C(=O)c3ccc(OCC)cc3)CC2)C1=O 560985369 HFULKNVLIVJFLD-GOSISDBHSA-N 401.463 1.813 30 10 HDEE C=CCn1c(N(C)CC(=O)N2CCOCC2)nnc1C(F)(F)Oc1ccccc1 584260824 XUEULILNCULVKX-UHFFFAOYSA-N 407.421 1.887 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CNC(=O)C3CCCC3)cc2)CC1 590031502 XUUXJXALEJEWSM-UHFFFAOYSA-N 412.534 1.553 30 10 HDEE COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)NC[C@@H]3CCCO3)S2)cc1OC 606348095 KWOVBEPHQZEPFK-XJKSGUPXSA-N 420.491 1.311 30 10 HDEE COCCN(CCC#N)C(=O)CCN1C(=O)COc2cc(Br)ccc21 610491385 ANFGADDAZIMWRN-UHFFFAOYSA-N 410.268 1.953 30 10 HDEE CC(C)(C#N)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 611688514 TYPLQEQJXCHAJV-UHFFFAOYSA-N 416.297 1.468 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccnn1Cc1ccccc1Br 679527611 SSVUBHCJXQDGSN-UHFFFAOYSA-N 407.268 1.951 30 10 HDEE C=C(Br)CS(=O)(=O)NC1(C(=O)O)CCN(Cc2ccccc2)CC1 704562645 IGENYOCYDLATMD-UHFFFAOYSA-N 417.325 1.934 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(Cl)s3)on2)CC1 733150108 AYANBPFLJPKCJV-UHFFFAOYSA-N 406.895 1.954 30 10 HDEE CCN1CCC[C@H]1CN1C[C@H](C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1=O 749533088 IOFUXIOPAMWURL-CTNGQTDRSA-N 423.561 1.976 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 751970534 AGQBHCAKRNVBHX-UHFFFAOYSA-N 402.925 1.628 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 763783205 QIEYSMMAYIUFCP-WMZOPIPTSA-N 418.471 1.156 30 10 HDEE C[C@H](CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[S@](C)=O 765951187 IAPFWLVJNIHMLD-JPNOFBRSSA-N 414.553 1.778 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCOC[C@@H]2C2CC2)cc1 766102329 QZFDEVUTQMRCEL-GOSISDBHSA-N 420.487 1.558 30 10 HDEE CC[C@@]1(C)NC(=O)N(CC(=O)Oc2c(Br)cc(C#N)cc2OC)C1=O 769722374 YAMJQSGXGYKCAD-MRXNPFEDSA-N 410.224 1.955 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@H]3CCCO3)c2=O)cn1 772280670 ZDUPBGAPPRYGAM-QGZVFWFLSA-N 424.526 1.648 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)[C@H]1CCCN1C(=O)C(F)(F)F 774998125 QCBBTCXNJFAXTM-PIGZYNQJSA-N 420.384 1.914 30 10 HDEE CC(C)(C)OC(=O)N1CC(S(=O)(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 790018389 IGJCYSGNXJUXML-QGZVFWFLSA-N 420.535 1.645 30 10 HDEE C[C@@]1(c2cccnc2Cl)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 808025098 BCYREYKEPNILSO-KRWDZBQOSA-N 419.850 1.243 30 10 HDEE C#CCN1C(=O)C[C@H](N2CC[C@@H](Cc3cccc(I)c3)C2)C1=O 821772098 XUARPCMJFYSUSM-HOCLYGCPSA-N 422.266 1.916 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@H]1CCS(=O)(=O)C1 918756685 WQHHDKNCOUYBSZ-HOCLYGCPSA-N 406.529 1.410 30 10 HDEE COc1cc(C(=O)N(C)c2c(O)nc(=O)n(Cc3ccccc3)c2N)ccc1C#N 1124063050 WEYWDOHJRXAVEX-UHFFFAOYSA-N 405.414 1.736 30 10 HDEE Cc1cc(OC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)ccc1C#N 1128560005 QVZPDOVLDBIXCP-UHFFFAOYSA-N 407.469 1.904 30 10 HDEE COc1cccc(OC)c1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1130913424 QVZSJKPDVLFROQ-UHFFFAOYSA-N 403.460 1.826 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)cc1 1132969209 PHSNOGSELSYYNH-IZZDOVSWSA-N 410.499 1.828 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)O1 1133996708 LPUZLUAFRYTFCL-FRYIKTPZSA-N 413.474 1.333 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCCc1nc2c(s1)CCCC2)c1cc[nH]n1 1143591122 GCDFKFRGZKDNGV-UHFFFAOYSA-N 419.507 1.778 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCN(CCc4cnccn4)CC3)cc2)c1N 1152775417 VLICVJIFNJOINM-UHFFFAOYSA-N 402.462 1.117 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCS(=O)(=O)C[C@H]1c1ccccc1 1157446902 RRUJNCRJSOMASV-JVMRMLDLSA-N 417.487 1.291 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](O)C(F)(F)C2)C1 1165777589 CZHLGASYGHDGML-AWEZNQCLSA-N 400.223 1.985 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H](C)c2nc(C(=O)OCC)n[nH]2)CCCN1C(=O)OC(C)(C)C 1166125856 FCXDMKWJQSPPHO-XCLFUZPHSA-N 419.482 1.952 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 1177758547 CHIILMRFIVFTCW-JKSUJKDBSA-N 401.511 1.962 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)N2CCOCC2)cc1 1198691812 IRPFRCBBVNWNNC-SFHVURJKSA-N 402.495 1.997 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 1211230812 TWFZHPIOCHDZHC-VIFPVBQESA-N 407.261 1.653 30 10 HDEE CN(C)C[C@H](NS(=O)(=O)N1CCO[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 1213315177 BACPDHFDIDIABK-GJZGRUSLSA-N 406.430 1.367 30 10 HDEE COCCN(C(=O)C#CC(C)(C)C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1285979915 WVUSNZYTVRRVPC-IYWGDAJJSA-N 402.535 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1286274858 PHVLBSOROZJVJI-KGLIPLIRSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)OCCOC)n1Cc1ccc(NC(N)=O)cc1 1286279545 WBBDABZWLNQXJJ-HUUCEWRRSA-N 400.483 1.999 30 10 HDEE C#CCCCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OCC)CCOC1 1286359877 LSJJVLQKCXEFPD-SIKLNZKXSA-N 417.554 1.645 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1286445177 HCBAKPNOMMUFAM-MRXNPFEDSA-N 418.542 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N(C)C[C@@H](C)C(=O)NC 1286784374 GBTQFLLJDPYUKF-CQSZACIVSA-N 400.483 1.074 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nn(C(C)(C)C)cc2Br)CC1 1292890429 YOTFLRKLWFYYCE-UHFFFAOYSA-N 424.343 1.298 30 10 HDEE N#CC1(C(=O)N2CCN(CCNC(=O)c3ccccc3F)CC2)CCSCC1 1293245668 DZYMRRHZQXSWDP-UHFFFAOYSA-N 404.511 1.737 30 10 HDEE CCN(CCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1295809619 DOFIYNUDFJMZEY-OAHLLOKOSA-N 405.528 1.750 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3[nH]2)n1 1296253114 DWOIVMLDVBXVHY-MSOLQXFVSA-N 406.377 1.792 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1300292839 LKABSBBPQPYSRF-INIZCTEOSA-N 402.520 1.651 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1300428594 JPXMJHDRDZRMDP-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCSC1 1300479062 HOXCLNQPLNDKJQ-MDOVXXIYSA-N 421.567 1.986 30 10 HDEE C#CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1300504871 UYIXNFTXYXNONU-QGZVFWFLSA-N 413.503 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1300584536 VAFLGKRONHKRJU-JYAXBFRTSA-N 419.529 1.747 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1300622347 WBYIIHGXLZOWLY-QGZVFWFLSA-N 402.543 1.578 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nnc3n2CCCCC3)n1 1300676875 VVIUPHBRCXJBNW-UHFFFAOYSA-N 423.525 1.435 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCOCC(F)F)CC1 1300719498 DCSUMMOZBWIQNJ-UHFFFAOYSA-N 420.464 1.531 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCNC(=O)[C@H]1CC 1301150929 DRIHHHRUBSDONO-LSDHHAIUSA-N 409.556 1.497 30 10 HDEE C=C[C@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 1301291353 JKXFSGGMJHATPM-OAHLLOKOSA-N 400.292 1.369 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301490879 HKVFXBHQYLFSOF-INIZCTEOSA-N 406.494 1.445 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)O[C@H](C)C1 1301587292 TZBSTCZTCLPOKX-IYBDPMFKSA-N 405.524 1.478 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1301588555 HGLMQOZRQAZHTD-KSZLIROESA-N 423.583 1.793 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 1302285671 OQFUSSLIJKNKLB-NHCUHLMSSA-N 403.479 1.148 30 10 HDEE CN(CCNC(=O)c1cccc(OCc2ccccc2C#N)c1)CCS(C)(=O)=O 1303238186 LDNBMEKNKZPNEQ-UHFFFAOYSA-N 415.515 1.843 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1306436910 PXBRXRAADCJQKB-RRFJBIMHSA-N 419.507 1.697 30 10 HDEE CNC(=O)CN1CCCN(CC(=O)N(CCC#N)c2ccc(Cl)c(C)c2)CC1 1308094407 ZMBLCZYCZNZQAN-UHFFFAOYSA-N 405.930 1.649 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)CC1 1313258540 BEKFEOLZSVTPMH-UHFFFAOYSA-N 420.514 1.683 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(Cl)c2)CCO1 1316539670 FPJLGFXRMSTXLZ-ZBFHGGJFSA-N 421.910 1.611 30 10 HDEE C[C@H](O)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(=O)OCc1ccccc1 1324311293 GBPGZSFORUJSQG-XERREHJYSA-N 421.453 1.520 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)ccc1C#N 1350875741 PEEYRNVRFJJMJD-UHFFFAOYSA-N 421.425 1.992 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1358890608 RYNRPMZYARMONV-AUSJPIAWSA-N 420.510 1.685 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(C)(C)O)c2)CC1 1359035051 JRKNHJOKRNQKDX-LJQANCHMSA-N 422.533 1.260 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1359226596 IUAKVRQDWMPPNZ-GOSISDBHSA-N 415.542 1.825 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCn3ccnc3C2)C1 1359312568 XDNDENLVMKFOKX-IRXDYDNUSA-N 413.526 1.657 30 10 HDEE C=CCn1cc(CNC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1 1436930598 IYIYKNAXXZQXBW-UHFFFAOYSA-N 417.535 1.888 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(Br)c(N)c([N+](=O)[O-])c1)C(=O)OC 1448497993 UTQVUITXAQNUHP-SNVBAGLBSA-N 402.201 1.414 30 10 HDEE COc1cc(N)c(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(C)(=O)=O 1452947386 RBXDVJCOSJAJAZ-INIZCTEOSA-N 403.460 1.358 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)N2CCN(CCC#N)CC2)C1 1454912276 YPRZWXNOGSRKJD-DENIHFKCSA-N 414.506 1.860 30 10 HDEE N#CCc1cccc(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 1455178270 QPHBRTRPBZGNEQ-UHFFFAOYSA-N 415.294 1.889 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](O)[C@H](O)c3nc4ccccc4[nH]3)C2)nc1 1456067732 YKCARYZEHBSQDK-MDASCCDHSA-N 406.446 1.327 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1456231279 ZDYMUEFRFCYZRV-HOTGVXAUSA-N 417.510 1.861 30 10 HDEE N#C[C@@]1(C(=O)NCCc2ccc(S(=O)(=O)N3CCCCC3)s2)CCCOC1 1456895872 MISTZGVGGIIFRB-SFHVURJKSA-N 411.549 1.902 30 10 HDEE CS(=O)(=O)C[C@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1463788915 ACLOQSULLHNSHV-NSHDSACASA-N 421.338 1.766 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@H]1C(=O)N(CCC#N)CCN1CCOCC1 1464555367 WWLDITKKVPCXSF-KRWDZBQOSA-N 418.498 1.276 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](OCCO)C3)C2)C1 1466896959 COIGACFUGBOKJR-CXIVCQEWSA-N 407.511 1.773 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCC[C@H](N4CCOCC4)C3)CC2=O)cc1Cl 1468181110 HJKMXFVZHPPDOM-WMZOPIPTSA-N 416.909 1.888 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1469874887 RBNAPIJDKGTXTQ-IAGOWNOFSA-N 419.478 1.897 30 10 HDEE C[S@@](=O)C1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1471133298 SDVQHDMDAKFOTE-GUNSETOZSA-N 424.567 1.333 30 10 HDEE C#CCC1(O)CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1471522128 SFYFWAMAQSMOTH-UHFFFAOYSA-N 410.561 1.842 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC2(CC1)C[C@H](O)CNC2=O 1473851310 CTCUUXTWFWZZDO-YJBOKZPZSA-N 402.470 1.424 30 10 HDEE Cn1cc([C@]2(CNC(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)CCCO2)cn1 1479504374 QCCBOFAVFFVSSE-JOCHJYFZSA-N 408.506 1.825 30 10 HDEE CCC[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1499960693 JWINPDQZQOMPTP-SZNDQCEHSA-N 412.494 1.868 30 10 HDEE CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500330164 VWCLJLRGFVSKOW-HZPDHXFCSA-N 423.525 1.796 30 10 HDEE CN1C[C@](C)(Cn2c(CCOc3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1503675639 SNIPIJLWTMRJRE-NHCUHLMSSA-N 412.469 1.820 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1507535639 XLDNOWLFSZMCCY-HIFRSBDPSA-N 413.478 1.761 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N(C)CCNS(C)(=O)=O 1507590639 FFJAOWCNUGSGQH-UHFFFAOYSA-N 411.478 1.546 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NC(C)C 1507687728 SGZJCZKKYCZYCW-UHFFFAOYSA-N 407.478 1.176 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1CCO[C@@H](C)C1 1507701849 BVTLJHRKKDKLJJ-ZWKOTPCHSA-N 403.527 1.805 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2CCCN2CCCO)CC1 1507720024 GPVIXVSCDQDNFM-IBGZPJMESA-N 412.538 1.449 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCC)CC1 1507739142 NIQUZDWMNXQPSI-QGZVFWFLSA-N 421.567 1.336 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC2(C1)OCCO2 1507759519 IUCUTWCJIRYFEB-OXJNMPFZSA-N 401.511 1.952 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1507836911 DHYPLWYLTXPZRA-YJBOKZPZSA-N 413.544 1.098 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1508380905 VYUAACGCRHRQDE-QGZVFWFLSA-N 424.436 1.938 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1cccc(Br)n1 1511889909 NMUMFLGZUQZCCG-OAHLLOKOSA-N 402.300 1.969 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2CC(=O)NCc2ccco2)cn1 1517365672 BMSRVZSKOSKJLV-UHFFFAOYSA-N 408.466 1.718 30 10 HDEE COc1ccc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(O)CCS(=O)(=O)C2)cc1 1518088431 ANLVYFOJIIBELF-LIRRHRJNSA-N 419.507 1.242 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCc1nc(C)no1 1519409800 OTSXXWQDLPUBQC-KMFMINBZSA-N 403.487 1.922 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)Cc2csc(S[C@H](C)C(N)=O)n2)c1 1519566957 JANNKTXFSNNEBB-GFCCVEGCSA-N 416.528 1.412 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)N[C@H](C#N)c2cccc(Br)c2)C1 1520608616 MGEGYGRROAROOZ-GXTWGEPZSA-N 400.298 1.802 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1F 1520672858 QIGHUDVYROWYIV-ACWOFJMJSA-N 419.482 1.161 30 10 HDEE C=CCn1cc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)nn1 1523945487 PPWZYPGXOSTGFU-UHFFFAOYSA-N 401.467 1.448 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N3CC[C@](C)(C#N)C3)ccc2F)CC1 1529651440 MFAPDDXARLWDEM-LJQANCHMSA-N 422.482 1.054 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)OCc2ncc(Br)cc2Cl)C1=O 1530376226 VZTJMRIASLBOBM-UHFFFAOYSA-N 416.615 1.518 30 10 HDEE C#CCSCC(=O)NCCN1C(=O)S/C(=C\c2ccc3c(c2)OCO3)C1=O 1532445234 DNSFOVQIYDGOLP-DHDCSXOGSA-N 404.469 1.934 30 10 HDEE CO[C@H]1COCC[C@H]1N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1536933259 IDOPZKXRIHTWJD-MOPGFXCFSA-N 421.519 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOCC1(C)C 1538965530 PPGKTHGUSVCDTD-INIZCTEOSA-N 404.559 1.765 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1539072195 MXINBXFHKPTLMV-IAGOWNOFSA-N 409.556 1.494 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2ccc(O)cc2C1 1539124066 BUPZHICFUMIGQU-INIZCTEOSA-N 400.504 1.862 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CCCC(=O)N(C)C 1539265720 JXRFOLKRSXFPLW-LJQANCHMSA-N 407.474 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1 1539406288 XZPAQSVUBJEFQK-GOSISDBHSA-N 413.522 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1539414854 ZYPAMWKLWHDPNX-QGZVFWFLSA-N 409.556 1.446 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2CCCCC2)CC1 1539430703 LNTSLQCKYJGWEQ-INIZCTEOSA-N 408.572 1.224 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1539525800 CQPHUKIBRCMKRJ-AWEZNQCLSA-N 416.532 1.365 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCCC 1539565997 AVIJSTFEJYSLKR-HXUWFJFHSA-N 414.535 1.788 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1539744525 OTKGULRBSKDYJV-QGZVFWFLSA-N 412.494 1.557 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=O)N(C)Cc1ccccc1 1540047539 JUFCZKYOMQWDDD-HNNXBMFYSA-N 420.539 1.169 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)CCCC2)cc1 1540490734 WSHHEKUTLKPFGJ-LJQANCHMSA-N 401.532 1.701 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1540905105 SLOMNHQROBVKIX-KRWDZBQOSA-N 424.527 1.677 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1nncn1-c1ccccc1 1541657166 CEBQFMDBGDKGDJ-HXUWFJFHSA-N 423.456 1.487 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCC[C@H](C)C3)CC2)c1C#N 1543001784 BUCOEKGHUMCCAY-INIZCTEOSA-N 411.558 1.559 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1546396242 BJNICYBWJIMIML-XOBRGWDASA-N 417.489 1.967 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1554304602 BEKNSVBOVYESRW-HNNXBMFYSA-N 408.484 1.018 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@@](C)=O)CCC2)cc1 1554868840 GBZDQPKUJVZOFG-CQGGRAHPSA-N 415.519 1.984 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H]1OCCC1(C)C 1555555331 SKDXLLCFQMOYJN-MRXNPFEDSA-N 404.515 1.696 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCN2CCOC2=O)cc1 1555988554 GTSRBBWAJIUSMW-KRWDZBQOSA-N 423.477 1.361 30 10 HDEE C=CC1(CC(=O)NCc2ccc(OCCOC)nn2)CN(C(=O)OC(C)(C)C)C1 1556834966 YAJBZYGCOOFNRS-UHFFFAOYSA-N 406.483 1.931 30 10 HDEE CC(C)(C)n1ncc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)c1I 1557256117 ZQMGCUKXNZMFAS-UHFFFAOYSA-N 409.191 1.961 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc(-c3cccc(F)c3)n2)CC1 1558072752 BRPPHSYWZLMVKO-UHFFFAOYSA-N 422.507 1.104 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cn1 1558225354 GOBPUZGBMYFPOD-UHFFFAOYSA-N 405.458 1.388 30 10 HDEE C[C@H]1CN(Cc2ccc(C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cc2)C[C@@H](C)O1 1558805902 YCNNKUUUMWQSFD-GASCZTMLSA-N 423.473 1.127 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br 1561602884 DRZILJLSECMFTH-CVEARBPZSA-N 415.309 1.919 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1noc(C(F)(F)F)n1 1570578889 HELYVSMLVJGGCB-VIFPVBQESA-N 402.354 1.752 30 10 HDEE CO[C@@H]1COCC[C@@H]1N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1583481969 QFWCLQSNCMPNDV-IXDOHACOSA-N 400.435 1.026 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CCOCC1 1584620970 UXYAYSCDCVLHGF-INIZCTEOSA-N 407.536 1.748 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC3CCOCC3)CC2)c1 1586485267 BZRQOCAOKQHMGD-UHFFFAOYSA-N 404.532 1.668 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCCN(c3ccccc3Cl)C2)c(=O)nc1O 1586786251 FHSFIUSMEGBURI-CQSZACIVSA-N 401.854 1.649 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588041002 TZKLZDCREWHSOK-IRXDYDNUSA-N 418.519 1.900 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1588054125 KVEDFFLXAJERHM-MSOLQXFVSA-N 424.567 1.699 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOCC1CCOCC1 1588387041 RIBIWYXYICVDGA-SFHVURJKSA-N 424.567 1.473 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC[C@@](C)(O)c2ccccc2)CC1 1588806428 QGDAFBOGDLHWPK-HSZRJFAPSA-N 417.517 1.788 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(F)(F)Br)CC1 1588812153 PUOADKGQMUIDHZ-GFCCVEGCSA-N 404.259 1.525 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)COc2cccc(F)c2)c1 1595313246 GZVSVPZEKGKTNO-ZDUSSCGKSA-N 410.398 1.432 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)CCC)CC1 1595548429 UZIDMQUMGUCYNT-INIZCTEOSA-N 415.556 1.614 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCS2)C1 1595673953 LTECPUKIGAIBKJ-KFWWJZLASA-N 415.585 1.565 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1596702741 HBEIWVKOIGJYLA-UHFFFAOYSA-N 407.478 1.154 30 10 HDEE C#CCN(C(=O)c1[nH]c2ccccc2c1CC(=O)OCC)[C@H]1CCS(=O)(=O)C1 1597137989 IMFQQCHJMUSKQB-AWEZNQCLSA-N 402.472 1.536 30 10 HDEE CO[C@@]1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1598279756 KFUWATOLVACSIN-RDTXWAMCSA-N 417.528 1.284 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N[C@H](CC#N)C(F)(F)F)cc2[N+](=O)[O-])CC1 1598394284 IWUIMAZUQNCGMF-OAHLLOKOSA-N 413.356 1.838 30 10 HDEE CCCCNC(=O)C1(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 1610922273 XCXIGSBNEMXNQF-UHFFFAOYSA-N 420.535 1.572 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1611247964 RHBWYXHJSBQPPH-CVEARBPZSA-N 414.462 1.737 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1611319440 GSZVRGZQAPGUET-JXXFODFXSA-N 402.499 1.477 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1=CCCOC1 1611684279 JFQYNCZNFHYEDZ-AWEZNQCLSA-N 408.528 1.365 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c(N)c3C#N)CC2)C1 1611965330 UWZKONSKFWJPFT-CABCVRRESA-N 400.483 1.866 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@H]2C(C)C)CCOC1 1616261191 HCFUONOUEFDMCI-DCXXXQMHSA-N 419.526 1.720 30 10 HDEE COC(=O)[C@H](c1cccc(OC)c1)N(C)CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1619904270 CJXYEWYVUZOXHM-FPOVZHCZSA-N 416.522 1.533 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)CCO1 1620356102 SBWSGPRZMPZDJR-QZTJIDSGSA-N 410.478 1.242 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4cc(F)c(F)cc4C3)CC2)o1 1620539528 LRYMIXRUIKSXKZ-UHFFFAOYSA-N 401.417 1.840 30 10 HDEE C#CCC[C@H](O)CNC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1626046565 DSZMBIKTSWMCNW-AWEZNQCLSA-N 402.310 1.894 30 10 HDEE N#CCCCCC(=O)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1627177467 JIHHJTWKDQGIAH-UHFFFAOYSA-N 407.492 1.765 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1629167174 LQCNEHZOBKGZNZ-AWEZNQCLSA-N 419.279 1.409 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)c1 1630344420 NKSQDGGOHMBYGO-UHFFFAOYSA-N 422.503 1.219 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CCN(c2ccsc2C#N)CC1 1632830090 HUJDMSRYMAOTGZ-UHFFFAOYSA-N 420.498 1.965 30 10 HDEE Cc1cc(C#N)cnc1C(=O)N1CCC[C@@H](n2nncc2I)C1 1633072649 XTACOVLMUWJJBE-GFCCVEGCSA-N 422.230 1.935 30 10 HDEE COCCNc1nc(CC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cs1 1633897844 KIJIXALGDJGVFD-KRWDZBQOSA-N 413.503 1.927 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@@H](c3ccc(O)cc3)C2)s1 1634550835 XFANVVMZZUFPGY-QGZVFWFLSA-N 421.544 1.634 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1sc(CS(C)(=O)=O)nc1C)C(=O)OCC 1635606001 ATIVHUOPJUIZKA-LLVKDONJSA-N 408.929 1.729 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2C[C@@H]2CCCO2)s1 1636308408 DBSNZBWVSNDSAM-GJZGRUSLSA-N 414.549 1.551 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)C(=O)Nc2cccnc2C)c1 1637346974 XLGRYGWSEKKGIC-AWEZNQCLSA-N 400.460 1.059 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3cccc(C)c3)CC2)C1 1638393370 ZTRFHGHCBDZDMC-PMACEKPBSA-N 412.534 1.714 30 10 HDEE C#CCC[C@@H](O)CNC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1639434981 VOMFNBUWBDVPCL-OPAMFIHVSA-N 422.481 1.777 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1csc(CNC(=O)OC(C)(C)C)n1)C(=O)OC 1639559301 XHODGAAGYCTSMA-CYBMUJFWSA-N 413.496 1.571 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC([C@H]3COC(=O)N3)CC2)ccc1F 1639741924 AROFWBFDLQUEBJ-OAHLLOKOSA-N 411.455 1.251 30 10 HDEE C#CC1(O)CN(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)C1 1640069882 HLVWJCAOKQSIHE-UHFFFAOYSA-N 402.497 1.315 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3[nH]c4ccccc4c3C#N)CC2=O)C1 1640089542 PPRAPVLAUIYQLG-ZDUSSCGKSA-N 423.473 1.990 30 10 HDEE Cc1nc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)sc1C(N)=O 1640152117 RBJSNWHCVYRXNF-LLVKDONJSA-N 417.878 1.745 30 10 HDEE Cn1cc([C@@H](NC(=O)CCC(=O)N(CCC#N)c2ccccc2)c2ncon2)cn1 1641577747 IDFCIYDUMURVGM-LJQANCHMSA-N 407.434 1.736 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(CCN2CCOCC2)CC2CC2)cc1 1642140880 ILVWTWXIOSHTQH-UHFFFAOYSA-N 407.536 1.335 30 10 HDEE C#CCNC(=O)CN1CCN(c2ncncc2-c2ccc(Br)cc2)CC1 1642749770 FKUZPRDBGKUUJR-UHFFFAOYSA-N 414.307 1.778 30 10 HDEE CO[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)[C@](C)(CO)C1 1648726023 CNZNQMSCAWJSMQ-YWZLYKJASA-N 423.535 1.284 30 10 HDEE Cn1cc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2Cc2ccc(C#N)o2)cn1 1649672200 BXKKMFQQVBVVFX-MRXNPFEDSA-N 415.479 1.205 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H](CC1OCCO1)C(=O)OC 1650736929 USCKDFPHWIRVBT-OAHLLOKOSA-N 401.419 1.472 30 10 HDEE N#Cc1ccc(C(F)(F)F)nc1N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1651486899 DMYIXQAFYSDJPI-LOIXOFCESA-N 402.398 1.595 30 10 HDEE C[C@](CO)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(Br)c1 1653411359 YJWNTCZJPMMPMJ-ZLDMJUSRSA-N 422.279 1.689 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)CN1CCC[C@H](CC#N)C1 1655039314 FLOQMEUNANBPGW-MRXNPFEDSA-N 404.536 1.842 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCC3)C1 1659647366 MYSCSYUKGPRNQQ-CYBMUJFWSA-N 410.565 1.698 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)CC1 1660133246 JCNGXLKNAHUTDS-ROUUACIJSA-N 421.586 1.914 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)c4cccnc4C#N)CC3)n[nH]2)cc1 1662973446 AHQVQENRYPNAGL-UHFFFAOYSA-N 419.470 1.726 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl 1665722256 RBEJTQQNLXFOPF-UHFFFAOYSA-N 404.941 1.462 30 10 HDEE C=CCSCCNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1668520523 HMBUNDFKHJNOQI-UHFFFAOYSA-N 407.315 1.698 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OCC 1671199601 SJOYCRGTUAUDEZ-AWEZNQCLSA-N 403.522 1.883 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCNC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 1673839430 VXSRZHYHBWZLHA-RHSMWYFYSA-N 404.492 1.109 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1683034581 SOUUUJDTXRLHQS-KRWDZBQOSA-N 402.432 1.547 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)cc1 1684555973 HRLHISKAXZDXGB-IBGZPJMESA-N 421.505 1.550 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 1687205745 GCTBSJKBHNIPGR-HKUYNNGSSA-N 401.507 1.908 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ncccc2C)C(C)(C)C)CC1 1687809571 SHFUFWIAZGQBBB-KRWDZBQOSA-N 407.540 1.272 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689856543 SJUDSYGRROETDD-QUCCMNQESA-N 423.565 1.665 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1689945469 FCVOLJPEIKHPLQ-CQSZACIVSA-N 407.544 1.167 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689980411 RCSFYTONVOAJSG-QGZVFWFLSA-N 407.584 1.687 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ncnn1-c1ccccc1 1690022566 JMJHFSGBQWTOLZ-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC(C)(C)O)n1 1690109305 NCZWUPHWPNBVBA-GOSISDBHSA-N 416.526 1.773 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCc2cn[nH]c2)CC1 1690131918 ALRGIESGRAPYRD-UHFFFAOYSA-N 405.506 1.887 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC(=O)N2CCCCC2)CC1 1690136488 FXPDYEKDPXFUEA-UHFFFAOYSA-N 414.554 1.770 30 10 HDEE C=CCCCn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690496822 ZNVLJDIPDCRMKT-NRFANRHFSA-N 420.558 1.107 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)OC)C1 1690691599 HKNPEGBKFNSGAC-CRAIPNDOSA-N 410.482 1.737 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C)n(C)c2=O)C1 1690696383 BBKANNRTGKTPQT-KRWDZBQOSA-N 407.478 1.572 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1692851208 BZIUQMVPOPBLQP-KXBFYZLASA-N 417.539 1.685 30 10 HDEE Cc1nnc(N(CCO)CCc2ccccc2)n1CCN/C(O)=C1/N=CC=CC1=O 1693467986 KFXOXVCYBGDNAA-VXPUYCOJSA-N 410.478 1.154 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCOCC(F)F 1697617649 DVRVHWHESUQDTD-CQSZACIVSA-N 423.420 1.876 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1698144810 SAOIBXSKAUEZAW-GJZGRUSLSA-N 417.466 1.904 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCN(C)C 1705490596 NBRVIIBBEQVZQH-HNNXBMFYSA-N 409.494 1.630 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1705542411 FYVPJMYDHCBMEB-UGKGYDQZSA-N 419.570 1.745 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1705559472 BCNNOPZOHAIXMB-GJZGRUSLSA-N 401.492 1.931 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CC(F)(F)C1 1705621782 NXJGTRKKWFTQBL-GFCCVEGCSA-N 405.471 1.020 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCS(=O)(=O)Cc2ccccc2)CC1 1705640324 NJUOLHBCYYSVGZ-UHFFFAOYSA-N 401.536 1.211 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCNC(=O)CC1 1705899483 UVLPHXZFTOLAGY-UHFFFAOYSA-N 405.462 1.122 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1706672476 OZJSOZALUNUXIJ-LSTHTHJFSA-N 423.489 1.566 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C(N)=O)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1709034958 CGOUVYPFMHZDMW-CZIZESTLSA-N 423.477 1.102 30 10 HDEE CCc1nnc(N2CCN(c3ccccc3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1709140079 PKWPZYUKQPWVSF-QZQOTICOSA-N 421.505 1.694 30 10 HDEE CN(C)C(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@H](C#N)C1 1710983536 BUYDSFULCPKMTK-QGZVFWFLSA-N 407.478 1.488 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1711130250 CSJOYRXMNJFXFO-UHFFFAOYSA-N 420.514 1.892 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)s2)CCO1 1712885910 CHTCKDCLYNZQKG-LBPRGKRZSA-N 406.899 1.892 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1722332971 FUWFNHSRLSQFOT-MSOLQXFVSA-N 421.567 1.937 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)OC 1722393597 FZCWDXULGHXOHD-INIZCTEOSA-N 414.535 1.736 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCn1cncn1 1722417734 QXPWORKRBGEZFJ-IYBDPMFKSA-N 414.514 1.800 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(=O)NCc2ccco2)CC1 1722436487 IBGOGIZDEKJBOA-GOSISDBHSA-N 412.494 1.184 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCC1 1722471172 AFNVSXMAIBGLFE-RDTXWAMCSA-N 405.524 1.189 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCSC1 1722474093 LGJPXNWFASYSAW-BMGDILEWSA-N 410.565 1.040 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](OC)C1 1722529152 POMMEIJPEHLCIN-GJZGRUSLSA-N 401.533 1.096 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](CC)N2CCCC2)CC1 1722559664 DNNILDBYCGTQFL-IAGOWNOFSA-N 410.588 1.919 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1722617225 HYVPRTBXAKGMKO-SJORKVTESA-N 424.567 1.921 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622372 JAUDZEGWEIEWME-OXQOHEQNSA-N 405.499 1.926 30 10 HDEE COC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@@H](C#N)C1)OC 1730467201 GCIYQEJONVKFSW-LSDHHAIUSA-N 401.423 1.064 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccccc2F)nnc1N1CC[C@](F)(C#N)C1 1731017569 XUXZQSNMWDLHTK-KRWDZBQOSA-N 410.450 1.465 30 10 HDEE C#CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740597192 KHFKESMBBATSHS-APWZRJJASA-N 410.540 1.355 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1740602838 XGGHGWMLRRUHQC-OAHLLOKOSA-N 404.540 1.215 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC(=O)NCC(F)(F)F 1740684790 BLPLIKBJSWOBCA-ZDUSSCGKSA-N 403.405 1.284 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1740720478 ZYRIZPMWOINSRK-QGZVFWFLSA-N 413.551 1.842 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1CC(=O)NCc1ccco1 1740726306 XELKGRSQHKBUKE-HRAATJIYSA-N 415.494 1.904 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1740795313 SCWGJQFQTNHMSM-ZJPYXAASSA-N 424.567 1.634 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1740848018 ACIRUWNNIVQULF-HZPDHXFCSA-N 416.526 1.857 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCOC[C@H]1C 1740904111 YGAXFUWCXOJNRC-OAHLLOKOSA-N 404.540 1.613 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740946451 RLFCLNRIQGMBCU-CQSZACIVSA-N 400.483 1.934 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H]1CSC 1740958549 DIZYWNUOESFHGF-ZDUSSCGKSA-N 418.523 1.640 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCc2c(ccnc2O)C1 1740993238 ZYXPZXVEQZJBTO-UHFFFAOYSA-N 405.524 1.741 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OC)CC1 1740995681 UQERZPBWECFOST-UHFFFAOYSA-N 408.528 1.322 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCC(=O)N1 1741196280 NXGFCXYICNPJIJ-QGZVFWFLSA-N 422.537 1.739 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748671717 NCGMHEYZFZGLRH-KKUMJFAQSA-N 401.433 1.503 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1ccc(N2CCOCC2)nc1 1748793511 CEXPWSVGKAZEAO-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1748811469 HPBJTWCBSRETQZ-IAGOWNOFSA-N 417.560 1.862 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1748824688 HTDKBXBWIXVFEP-UHFFFAOYSA-N 416.489 1.631 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCSC)CC1 1748989798 PFTVHRZHOFZZEE-INIZCTEOSA-N 411.597 1.079 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749139737 ISNKHFJYTUERIV-IEZWGBDMSA-N 418.542 1.836 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC[C@@H]1C 1749199392 QBLYDGQAXPTLIC-MAUKXSAKSA-N 407.482 1.755 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749354785 ZEYNWKBGMGYXFN-AUUYWEPGSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1749657884 FAGIMNHMUHVKIO-AOMKIAJQSA-N 422.489 1.503 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1749740576 GUFKXOQYJUSPOJ-IXDOHACOSA-N 410.540 1.736 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 1749754495 OBXPWOUUBSWASR-HNNXBMFYSA-N 414.539 1.265 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2ncn(C)n2)CCOC1 1751014697 ABOAIJCQLNTWDF-LJQANCHMSA-N 400.487 1.235 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCNS(=O)(=O)Cc1ccon1 1760202573 HSYCDRZENMYYPC-UHFFFAOYSA-N 416.507 1.116 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1CC1CCN(CCN(C)C)CC1 1760237028 SLTQCCUSLAZCLL-UHFFFAOYSA-N 409.582 1.997 30 10 HDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCS(=O)(=O)CC1 1760284510 NYNIUVOCXNIUIH-UHFFFAOYSA-N 404.561 1.779 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(C(C)=O)CC1 1760335163 LTUZWZJUGJQNKC-IEBWSBKVSA-N 411.510 1.775 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(C)on2)CC1 1760375172 GPXQDGZUCJSXTN-OAHLLOKOSA-N 405.890 1.600 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760421324 LMPMRNPTJXPHQX-GOSISDBHSA-N 404.559 1.931 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCCC)CC1 1760527374 UQMULKYDTQVBLF-QGZVFWFLSA-N 418.542 1.488 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1760552094 BQOJRQQYIBOZTE-DLBZAZTESA-N 420.583 1.803 30 10 HDEE CCC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CCOCC1 1762513462 FQIMRRNODIEOTQ-GJZGRUSLSA-N 412.560 1.691 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1766166842 WSQRADIJIOSVHF-OKYOBFRVSA-N 418.542 1.605 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC=CCO2)C1 1770317394 NCASFWMPUWCWQT-ROUUACIJSA-N 413.503 1.785 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccn(C)n1 1772843408 UMPYTDZLXLACFD-UHFFFAOYSA-N 405.510 1.852 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CCn3cnc4ccccc4c3=O)CC2)CC1 1848941254 WQCOJUMMCJSMGC-UHFFFAOYSA-N 421.501 1.787 30 10 HDEE CC(C)N(CC#CCNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(C)C 1851494334 RGLRQPHDJKKQLK-UHFFFAOYSA-N 421.563 1.560 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3ccccc3S(=O)(=O)C(F)F)CC2)n1 1852383734 HIKMOIFRGBWBSU-UHFFFAOYSA-N 407.402 1.307 30 10 HDEE N#Cc1ccnc(N2CCN(CCCS(=O)(=O)NCc3ccc(F)cc3)CC2)n1 1853282146 BKXWXLUVFMHFOK-UHFFFAOYSA-N 418.498 1.119 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1=O 1853804119 BSCLMKSCDROVDI-RTBURBONSA-N 407.474 1.480 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C(=O)[C@@H]1C 1854281203 HUXWNNUTMNVPHN-UONOGXRCSA-N 402.520 1.404 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)C3CCOCC3)C2=O)CC1 1854831834 UEPKJFFHWGYTNP-LJQANCHMSA-N 411.506 1.410 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)nc2n1 1855101064 UIXBZDUACMUTOF-JKSUJKDBSA-N 407.478 1.498 30 10 HDEE CC(C)n1nc(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)ccc1=O 1855407965 PZJMDLNIQAZZHH-SJLPKXTDSA-N 411.506 1.971 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(C[C@@H]1C(=O)N1CCN(CCC#N)CC1=O)CC2(F)F 1856035709 ULTYPSJOKZRJOL-FZKQIMNGSA-N 412.437 1.606 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2)CC1 1856150862 QPXSGXNCSUERMZ-MSOLQXFVSA-N 409.490 1.578 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1856871707 BTUCNMWVWZMUEP-QUCCMNQESA-N 416.566 1.489 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cn(C)nc2C(F)F)C1)[C@@H]1CCN(C)C1=O 1857069031 UEUANOJOJRFPAC-DZGCQCFKSA-N 423.464 1.455 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1C 1857145989 JIOOSCFCGPOROC-IBGZPJMESA-N 404.474 1.527 30 10 HDEE Cn1nccc1C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CCC1=O 1857256100 YBKQJNANTRIMSJ-MRXNPFEDSA-N 406.490 1.945 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)CC2=O)cc1 1857323801 FYTUCHNPOQQEME-QFBILLFUSA-N 410.474 1.411 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857339471 PFNYEGIMHANBKQ-IAGOWNOFSA-N 420.510 1.375 30 10 HDEE N#Cc1cccc(NC(=O)c2nc(C(=O)N[C@H]3CCS(=O)(=O)C3)c3ccccn23)c1 1858241902 KXMLAOBBTXFRIM-HNNXBMFYSA-N 423.454 1.375 30 10 HDEE CC(=O)N1CCN([C@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)CC1 1860616829 SSSFAVYKVCRDCL-OAQYLSRUSA-N 401.507 1.426 30 10 HDEE C=CCN=c1nc(N(CCOC)CCOC)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871689045 PHSLXZOZVLJIST-UHFFFAOYSA-N 418.498 1.173 30 10 HDEE N#Cc1nc(-c2cccs2)oc1N1CCC(C(=O)NCCN2CCOCC2)CC1 1889806751 BOBHGMWPSPTMLY-UHFFFAOYSA-N 415.519 1.940 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 1939107502 GLOOLRHKXGOTKD-JKSUJKDBSA-N 401.326 1.810 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC(O)C1 2018047350 NLKRVGHXALQOJE-ZLLCDCEHSA-N 422.331 1.955 30 10 HDEE N#Cc1cc(C[S@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 2074695906 NEJLUIZLMWKYAO-JYRCXFKTSA-N 401.444 1.972 30 10 HDEE COC[C@@H](C)NC(=NC[C@H]1OCCOC1(C)C)N1CCN(c2cc(C)ccn2)CC1 2087917816 GFTVPQOTYZYGKS-RTBURBONSA-N 419.570 1.687 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)c1cncc(C#N)c1)NC(=O)OC(C)(C)C 2118166227 IDUITFMUGRSWOU-SSINHNECSA-N 402.498 1.653 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)C1 2123461255 LCZCISMVOZIMLL-NYVOZVTQSA-N 400.475 1.789 30 10 HDEE O=S(=O)(NCc1sccc1C#CCCO)N1CC(OCc2ccccc2)C1 2161935454 BDRHDWKODPFRPG-UHFFFAOYSA-N 406.529 1.717 30 10 HDEE NC(=NO)c1ccc(CNC(=O)c2cc(I)sn2)cc1 2176534317 JBWCGQPXTGZGSI-UHFFFAOYSA-N 402.217 1.772 30 10 HDEE C#CCN(C(=O)C[C@](C)(NC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 2180137639 NRWSHGLWISYODR-PXAZEXFGSA-N 408.467 1.574 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2212735973 QYGVFJPVXVLKOC-CABCVRRESA-N 405.304 1.773 30 10 HDEE C#C[C@H](CC(C)C)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2234703344 QSDCUZQISXRCJQ-CABCVRRESA-N 400.541 1.963 30 10 HDEE Cn1cc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247838945 PROJCTHNGKTOAT-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2247858728 PRWXOTNMARBVQO-UHFFFAOYSA-N 411.311 1.713 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859431 VKLJRHNTVDZNGJ-OLZOCXBDSA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247927208 FEUCZGVAWHVVGR-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2255666636 WTEVRZJVOPMJQZ-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE CNC1(CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1 2267356572 MXJJFTBHQLVRKW-UHFFFAOYSA-N 406.766 1.731 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3COC[C@H]3F)cc2Cl)OC1(C)C 2267706114 RKNPHCGPPCKTJS-ZJUUUORDSA-N 411.713 1.716 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccccc1C#N)NC(=O)OCc1ccccc1 2270503402 DPEAIHLMTDRXEF-QGZVFWFLSA-N 417.443 1.768 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)C4N)cc2Cl)OC1(C)C 2282308247 OTWFASNWVGMVKN-HWYHXSKPSA-N 418.777 1.668 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)[S@@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282316874 IZPINFYSWBVECD-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282319496 UQYYMJUEXAHVRZ-VXGBXAGGSA-N 405.322 1.449 30 10 HDEE CCCN(CC(=O)OC)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335762 UKVQYJAYLHTWDL-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CNC(=O)C1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282415902 NXSWPUJRSOCVHA-UHFFFAOYSA-N 420.749 1.067 30 10 HDEE CC1(C)[C@H](CO)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282503302 YBILVDOFRVSRNU-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2OCC[C@H]2F)OC1(C)C 2282507446 HURWWHVGSRXFGW-OLZOCXBDSA-N 405.322 1.594 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282515024 LWTNEJCWCGPSAH-QWRGUYRKSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC([C@@H](F)CO)C1 2282832088 JIHMZBCEAGXHJA-LBPRGKRZSA-N 405.322 1.307 30 10 HDEE CO[C@H]1C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282843851 SXWOILOBWOGMDU-FZMZJTMJSA-N 401.721 1.952 30 10 HDEE C[C@@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847868 GBDRGKCBHKGJPM-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CC(F)(F)C[C@@H](CO)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282848462 NSKBTHSVOWZHKL-NSHDSACASA-N 411.301 1.732 30 10 HDEE CN(C)CC1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282849274 YWLBQCUCVNKOPX-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(OCC(F)F)C2)OC1(C)C 2282850820 TZNLGVBZWCJFIF-UHFFFAOYSA-N 409.285 1.702 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@](F)(CO)C2)OC1(C)C 2282870252 PFHQXNZZKNXXKK-MRXNPFEDSA-N 405.322 1.532 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@](C)(C(=O)O)C3CC3)s2)OC1(C)C 2284396805 FYTYMRJAYIFWCH-MRXNPFEDSA-N 401.315 1.579 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](F)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284412563 CVIQRJJMJJOKPR-JTQLQIEISA-N 407.294 1.447 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2365192657 DAJFFJDEQKMJMB-GJZGRUSLSA-N 403.541 1.979 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CC(OC)C1 2365199544 PCYZURFGTBCTNT-HVEKOLDVSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@H](C)CN(C(=O)OC(C)(C)C)C1 2365207191 MBKUYOGGRMAHCJ-QMTMVMCOSA-N 402.557 1.409 30 10 HDEE CC1(NC(=O)OC(C)(C)C)CC(C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)C1 2365255074 UWKXGBLSSQNFKM-UHFFFAOYSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792959 AJALPINANYDLRW-KGLIPLIRSA-N 401.481 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](C#CC2(S(C)(=O)=O)CC2)(OCCC(=O)O)C1 2367796660 QOQYXXPLOUXZMN-KRWDZBQOSA-N 401.481 1.438 30 10 HDEE C[C@H](C#CC(=O)O)NC(=O)[C@@H]1C[C@@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370299688 MRCTYFOUAWOEBE-MGPQQGTHSA-N 400.412 1.827 30 10 HDEE C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O 4767626 RMORXUSHXUDEFD-UHFFFAOYSA-N 408.433 1.977 30 10 HDEE COCCCN/C(=N/C(=S)NCCCN1CCOCC1)Nc1nc(C)cc(C)n1 14158737 VHLBUEWZOUMDSH-UHFFFAOYSA-N 423.587 1.084 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N=C2NCN(c3cccc([N+](=O)[O-])c3)CN2)cc1 15935067 MFYMWRVSAZEVBW-UHFFFAOYSA-N 418.435 1.212 30 10 HDEE N#CCCNC(=O)CN1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 27345915 QPWGZLCDEGJOPQ-UHFFFAOYSA-N 404.414 1.042 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)CC2)nc1 55321572 DRFRGHZPIWIKRB-SFHVURJKSA-N 409.515 1.897 30 10 HDEE C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 96966415 IODNOWZXHUDYHP-CYBMUJFWSA-N 400.451 1.032 30 10 HDEE O=C(Oc1ccc(C=NNC(=S)NCCN2CCOCC2)cc1)c1cccnc1 254843982 FFABSUWQIUAQRB-UHFFFAOYSA-N 413.503 1.431 30 10 HDEE CC(C)OC(=O)NS(=O)(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)s1 404945613 SBSRESQZXAZVRY-UHFFFAOYSA-N 404.319 1.516 30 10 HDEE CCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 409480469 WACSFGQMLPGCJW-ZBFHGGJFSA-N 402.879 1.821 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 429124744 AQBHYYGLQTVWAJ-DLBZAZTESA-N 406.552 1.976 30 10 HDEE CNC(=O)C[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)c1ccccc1 435948368 OWBKWKFOTJJKHC-KRWDZBQOSA-N 414.487 1.404 30 10 HDEE CSc1nc(O)c(C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)cc1C#N 440407306 ZADKNAJKVMCSEG-UHFFFAOYSA-N 420.516 1.740 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 460376740 UVSOVQUMFICSNH-MRXNPFEDSA-N 420.495 1.947 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 461303305 WOMJGOCHCCVURU-UHFFFAOYSA-N 421.523 1.008 30 10 HDEE CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@]2(CCOC2)O1 478365793 WOOWXGLULLKIDM-APWZRJJASA-N 407.492 1.207 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)CC1 490233508 BUCFVORAHLPWGR-HNNXBMFYSA-N 423.920 1.687 30 10 HDEE Cc1cc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)nc(N2CCCC2)n1 495200126 GKVGSLJWKCQWEC-UHFFFAOYSA-N 406.494 1.684 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)cc1 498372903 AYEGMBMMVDSTFU-QGZVFWFLSA-N 413.503 1.953 30 10 HDEE COCc1nc([C@@H]2COCCN2C(=O)c2cc(C)n(-c3cccc(C#N)c3)n2)no1 504374796 QFDHZZAWQCCHJI-KRWDZBQOSA-N 408.418 1.796 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CC(O)(CC#N)C1 506361072 BYUMPNXTHOKEDK-LLVKDONJSA-N 401.282 1.346 30 10 HDEE C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2)n1cnc(C#N)n1 507268736 DWMSKHRGTCLHDY-MJGOQNOKSA-N 408.506 1.756 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 511379936 FYGATVQLSITXRY-LBPRGKRZSA-N 401.920 1.589 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512702529 HBRKPEMWPUKMIA-QGZVFWFLSA-N 410.540 1.664 30 10 HDEE CN(C(=O)CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1)C1CCCCC1 546778528 ZMYINFGYFAFULG-UHFFFAOYSA-N 410.584 1.809 30 10 HDEE COc1cc(NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)nn1C 547839651 ZVYVVCPZCBTBOE-UHFFFAOYSA-N 408.466 2.131 30 10 HDEE N#Cc1ncn(CCNC(=O)c2ccc3cc(I)ccc3n2)n1 552334806 ZJQOZIJGFQOGGC-UHFFFAOYSA-N 418.198 1.733 30 10 HDEE Cn1ncc(Br)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C)c1=O 562491341 XMGLBHKGHLUIKV-UHFFFAOYSA-N 409.309 1.061 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)nc1 569150656 XKNLBDFENPSKLE-AWEZNQCLSA-N 418.441 1.508 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cscn1 569816039 LIZOZHJFKSJLPN-AWEZNQCLSA-N 412.541 1.280 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586863576 SUNUSSUWKKYMCN-IBGZPJMESA-N 419.416 1.103 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c(F)c1 586863599 UMIRGGJWNCJJMJ-MRXNPFEDSA-N 414.824 1.889 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2COc3ccccc3O2)cc1 604465378 LLCUPSXSUJZJHM-OAHLLOKOSA-N 401.444 1.448 30 10 HDEE Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1CC(=O)NCc1cccc(C#N)c1 609451023 HUYLUBJLOOGELH-OAQYLSRUSA-N 402.458 1.304 30 10 HDEE Cc1cnc2c(S(=O)(=O)N3CCN(C(=O)c4ccc(C#N)nc4)CC3)cccc2c1 609641848 ALXIQYVKQSYPKW-UHFFFAOYSA-N 421.482 1.957 30 10 HDEE CN1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CCC1=O 610026919 PAFOPFBPIOCKSO-CQSZACIVSA-N 413.457 1.318 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 669803586 LMBFUYVRFDIDFT-NVXWUHKLSA-N 408.462 1.613 30 10 HDEE C=CCOCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 682931080 KBXDIPDUFCCZII-UHFFFAOYSA-N 402.538 1.732 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)c(=O)n(C)c1=O 731197498 UVFUHORVKDPSOH-BMWLXYDHSA-N 408.336 1.377 30 10 HDEE N#C[C@H]1CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CCN1C1CC1 732649302 DWKDDCMLQDWPDY-FQEVSTJZSA-N 410.518 1.893 30 10 HDEE COc1ccc(CNC(=O)N2CCC(C(=O)Nc3nncs3)CC2)cc1C#N 746784649 IJNUGJCJUDTSRK-UHFFFAOYSA-N 400.464 1.979 30 10 HDEE C[C@H](OC(=O)Cc1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 750246083 HNORJWVXANQHQT-KBPBESRZSA-N 415.471 1.557 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)CCCCN1C(=O)c2ccccc2C1=O 753599639 ULXUGQYMSRGQMO-ZDUSSCGKSA-N 401.419 1.396 30 10 HDEE C[C@H](C#N)CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CC1 754175369 PQIXJGPPAWKDRZ-CQSZACIVSA-N 400.504 1.998 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(Cc3ccccc3)c2=O)c1 763437276 VNKUSJJPSMRRRJ-UHFFFAOYSA-N 418.522 1.422 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)cc1OC 763737387 QAFVAFNKGHFKFW-CLFYSBASSA-N 414.462 1.676 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@H](NC(=O)c1ccccn1)C(C)C 766986693 WYYDCRJKQLZKRP-QGZVFWFLSA-N 416.459 1.221 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 773066137 RBBHDERRZWZOOZ-GOEBONIOSA-N 409.508 1.748 30 10 HDEE C#CCN(C(=O)NC[C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCS(=O)(=O)C1 774262415 HMTOQFHCPFFJRC-GDBMZVCRSA-N 402.476 1.672 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1cn(C(C)(C)C)nc1Br 780264657 IOIJJHGNZZHULA-VIFPVBQESA-N 401.261 1.958 30 10 HDEE C[C@@](C#N)(NC(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2)C1CC1 782403213 ZXPCGOGFRBADOH-KRWDZBQOSA-N 422.235 1.745 30 10 HDEE Cc1ccc(NC(=O)NCCNc2ccc(C#N)cn2)cc1C(=O)N1CCOCC1 786111390 CXLYAHSPOKKMTQ-UHFFFAOYSA-N 408.462 1.968 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1 787559242 BUXWNQLMBBCLGX-UHFFFAOYSA-N 416.437 1.555 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 788279805 BDEHXGKJVUKWEY-UHFFFAOYSA-N 403.460 1.310 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1C(=O)NC(C)C)c1cc[nH]n1 789957849 YCMAMERPBMPMOY-UHFFFAOYSA-N 401.423 1.470 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](COc3ccccc3)C2)cc1 791149083 QDEAWYSFYSDVPY-IBGZPJMESA-N 414.483 1.518 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCC2(O)CCOCC2)C1=O 795174376 AAXAWCXTQOPYCE-HNNXBMFYSA-N 409.483 1.825 30 10 HDEE CCn1c(N2CCOCC2)nn(CN2CCN(c3ncccc3C#N)CC2)c1=S 798229222 IYRORLAXZVCMAD-UHFFFAOYSA-N 414.539 1.317 30 10 HDEE COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c1 798740824 CNEHEPSDRSGSIX-XJKSGUPXSA-N 413.434 1.635 30 10 HDEE C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)OCc1nc(N(C)C)no1 801214578 MCOINBHOOCGZLD-FQEVSTJZSA-N 411.418 1.344 30 10 HDEE Cc1cc(COCC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)on1 802047130 SMJSIDKZJJSLOH-SFHVURJKSA-N 422.445 1.793 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)nn1 811087819 QPHWJCNYAZFIET-GDIGMMSISA-N 415.425 1.445 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 814336311 XYLBGYOETZXLQW-SFHVURJKSA-N 415.515 1.989 30 10 HDEE COc1cccc2cc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)oc12 917356440 YVHORFLRWLWLFP-HNNXBMFYSA-N 407.451 1.870 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2cccs2)n1)[C@@H]1CCS(=O)(=O)C1 918756021 KJUIWYUTEQJEER-CYBMUJFWSA-N 423.541 1.648 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 1116458033 ZVGLNJNAIITZHS-DVSFIDLUSA-N 414.506 1.544 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)ncc1C#N 1125914967 TUGCCVUOYWDWNY-QGZVFWFLSA-N 407.478 1.287 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)c4c(c3)OCO4)C[C@H]1CS(=O)(=O)C2 1134053112 SDQAXUOHBWLSLO-BONVTDFDSA-N 413.249 1.188 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc2c1NC(=O)CO2 1152910809 SUOXNVYDVQDGTL-LLVKDONJSA-N 400.416 1.195 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1158215760 JLBIXUKHSCUAEN-UHFFFAOYSA-N 420.516 1.325 30 10 HDEE C#C[C@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(Br)cc1 1159634665 PRDLVEGHCQLBQN-KRWDZBQOSA-N 416.275 1.968 30 10 HDEE CCN1C(=O)c2ccc(C(=O)N3CC(Nc4cccc(C#N)c4)C3)cc2S1(=O)=O 1168642878 QCVJZQITHBEZGI-UHFFFAOYSA-N 410.455 1.659 30 10 HDEE C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1174576823 AMXPMEXODLEKIZ-IBGZPJMESA-N 421.906 1.600 30 10 HDEE C[C@H]1C(=O)N(C)[C@H](C)[C@H](C)N1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1195534453 DEKVJEONQXAROV-YLAKUSLOSA-N 415.513 1.474 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c(F)cc(Br)cc1F 1211185535 GWNQVJLBSUYLTN-UHFFFAOYSA-N 404.254 1.606 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1255218022 JMQUWNGJZGNQHK-UHFFFAOYSA-N 424.476 1.745 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CCS(=O)(=O)c1cccc(Br)c1 1271758378 ZXQZHRDWTQFFDN-HNNXBMFYSA-N 402.314 1.573 30 10 HDEE C=CCCn1cc(C(=O)NCC(C)(C)CN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)nn1 1285539824 VOKAMXJKUUGVMT-DZXRDFMUSA-N 401.511 1.492 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1286374500 NMMUQAITXIFGDC-MRXNPFEDSA-N 403.508 1.220 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCCC2(C)C)CC1 1286482385 QQLIPZQZJAYPCW-QHCPKHFHSA-N 408.550 1.960 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC(F)(F)CO2)CC1 1286493423 ALJKOBCEBDGORJ-JKSUJKDBSA-N 423.464 1.520 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286775559 ODDSTEWNUOFYHY-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286785156 GIEDWOIHWHQAGL-INIZCTEOSA-N 409.494 1.137 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1286818907 SHBBIKOYVVHICY-WBVHZDCISA-N 405.524 1.879 30 10 HDEE Cc1ccoc1Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1289260901 YCYLKKDTIYMAPO-OXJNMPFZSA-N 401.467 1.997 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](S(=O)(=O)NCC)C3)n[nH]2)c1C 1295764447 ZSHZBAJHOMWGQQ-CQSZACIVSA-N 406.512 1.230 30 10 HDEE CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1299419565 BMJQJWVMLYYGPB-UHFFFAOYSA-N 424.523 1.441 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1299475939 AVKULLZIFLBOGT-MRXNPFEDSA-N 403.508 1.865 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(C)COCCO1 1300281835 DMYNTPCELBHIIH-QRWLVFNGSA-N 418.519 1.612 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(C)C(C)=O)CC1 1300408880 CVEBQMQDPJGJFW-INIZCTEOSA-N 407.540 1.041 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300486806 BJKNFZPNOFKQKP-INIZCTEOSA-N 404.540 1.240 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1CCS(=O)(=O)CC1 1300613852 RTQLTPFFHAEIQF-UHFFFAOYSA-N 416.503 1.958 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1300665790 OAGAQYMXJFLARS-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@H](C)C2)CC1 1300707452 ZTQKDDLFEURNKD-WOJBJXKFSA-N 411.554 1.710 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CS(C)(=O)=O)CC2)CC1 1301119969 CGUBWLQOGUVGND-OAHLLOKOSA-N 407.540 1.456 30 10 HDEE C=CCCOCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1301259797 OABLVFFAARBDGQ-QGZVFWFLSA-N 423.521 1.776 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1C[C@H](OC)C[C@H]1c1nnc2n1CCC2 1301429081 WUINICSMMFCRCA-KGLIPLIRSA-N 400.487 1.106 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOCC(F)F)C1 1302980335 OWLMKVRBQBLKJZ-QGZVFWFLSA-N 400.405 1.628 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)[nH]ccn12 1303174781 WQIXIEOKZFGERT-ZDUSSCGKSA-N 404.471 1.626 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)N2CCc3c(sc(N)c3C#N)C2)C1 1304491429 YZSJVOGTSARJFT-IBGZPJMESA-N 406.508 1.849 30 10 HDEE CC1=CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1304596910 SCNSRYSNURVTRH-QZQOTICOSA-N 419.489 1.947 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1c(C)nn(C)c1C 1306198533 MMIAZJGZPMJXBY-UHFFFAOYSA-N 405.510 1.832 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](CC(F)(F)F)O[C@H](C)C3)CC2)o1 1307949759 ZPLAJQZYSXPUMN-OCCSQVGLSA-N 415.416 1.545 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC(=O)NCC23COC3)n(Cc2ccco2)c1C 1308036832 UUVJDQYJWSTOSJ-UHFFFAOYSA-N 411.462 1.147 30 10 HDEE CCn1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)c1=O 1313849561 JTUGMIGIXZJEFQ-AWEZNQCLSA-N 423.477 1.974 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2CCCC2)CCO1 1315014236 BXBIXCPTUCMRQF-LJQANCHMSA-N 424.505 1.870 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1=O 1316135160 HRGNDTCNUSNPDK-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE COc1cc(C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)ccc1C#N 1356256464 UVIQNADUPMIUHR-HXUWFJFHSA-N 407.426 1.833 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1358974670 NCVFHDPYSYOZDE-UHFFFAOYSA-N 408.458 1.331 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1359000357 SKHGTKVNNXFDDO-HNNXBMFYSA-N 409.556 1.555 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCc2nccnc2C)CC1 1359036895 NKAWVYCXSPEAHL-UHFFFAOYSA-N 402.506 1.360 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)C 1359090299 YLLZHLGDXNVQQF-NVXWUHKLSA-N 406.531 1.358 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359091730 RFCLYLPJJXDMEL-FUHWJXTLSA-N 411.572 1.866 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1359091731 RFCLYLPJJXDMEL-SJLPKXTDSA-N 411.572 1.866 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCC2(O)CCOCC2)C1 1359322777 BUUDNPCWHXIUSZ-LJQANCHMSA-N 413.522 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1ccon1 1359334415 FAMCZXFSKLNKNX-UHFFFAOYSA-N 419.511 1.365 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1359341075 KYCWLXIXSHUBIC-IRXDYDNUSA-N 404.540 1.982 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1436052545 HMMGGZDERUNDNW-CEXWTWQISA-N 415.490 1.658 30 10 HDEE COC[C@@H]1CC[C@@H]([C@@H]2COCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)O1 1439578046 HLMAPFJUHNZBOK-WDSOQIARSA-N 418.494 1.493 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c1C 1439792859 AFSQCJYKPSJTEU-TWOQFEAHSA-N 401.488 1.053 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CCN2C(=O)C(C)=C(C)C2=O)cc(OC)c1OC 1442585904 YBGLBKFDZMZCQW-AWEZNQCLSA-N 401.419 1.489 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCCn3cnc4c(N)ncnc43)CC2)c(F)c1 1442923262 OBZFKXGFSKTKFC-UHFFFAOYSA-N 422.468 1.938 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(N)(=O)=O)C1)[C@H](Cc1ccccc1)C(=O)OCC 1447726574 FCIKIYKYFNVZMW-ZWKOTPCHSA-N 423.535 1.091 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCc1ncon1 1456201987 CDGKZCKOCMFADB-AWEZNQCLSA-N 405.480 1.368 30 10 HDEE C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457202259 ZHBDMULRCRQWID-SNVBAGLBSA-N 408.336 1.690 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)NC[C@@H]3CCCN(CC#N)C3)=NO2)C1 1457669746 JVNUKDFPFRFSKZ-YWZLYKJASA-N 405.499 1.494 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)NC3(C[C@H](C)C[C@@H](C)C3)C2=O)CC1 1460024357 RUFATJMMNJAVBF-ZIAGYGMSSA-N 404.467 1.038 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCOCC1 1460409561 KUZNBNKVQBAPSP-SFTDATJTSA-N 418.513 1.566 30 10 HDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)N(CCC#N)c3ccccc3)CC2)CCOC1 1460458899 CYYHXCFPEYCJPA-GCJKJVERSA-N 414.506 1.271 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CC[C@@](C)(C#N)C2)c1 1461729500 PBHCKEMTZOURFI-IBGZPJMESA-N 406.508 1.149 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3C[C@@H](NC(=O)OCc4ccccc4)C3)C[C@H]1CS(=O)(=O)C2 1462997494 JSKKTSHCUFLEHL-LJCCNALRSA-N 417.487 1.088 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc4c(C#N)c[nH]c4c3)cn2)CC1 1464969491 JXGPSUJUJJGWMO-UHFFFAOYSA-N 424.486 1.768 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)C1 1466377442 TYEIXYQKHJQIJC-KJWHEZOQSA-N 400.397 1.776 30 10 HDEE COC[C@@H](C)n1c(SCC(=O)N[C@@H]2CCN(O)C2=O)nnc1-c1ccccc1 1468373387 CEFQYDFPZXPXQP-TZMCWYRMSA-N 405.480 1.351 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc([C@@H]3NC(=O)NC3=O)cc2)c1 1470574533 VCFCUJDNNDGAJQ-INIZCTEOSA-N 414.443 1.284 30 10 HDEE C=CCC1(O)CN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1471823423 XSSGNELPFMSQKU-UHFFFAOYSA-N 411.203 1.030 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H](CO)[C@H](CCO)C3)C2)C1 1472395166 YDFWIPYTMANIEM-GZHDSUEZSA-N 407.511 1.223 30 10 HDEE COC(=O)c1oc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 1478567795 LSVQLLWJZQFQBS-KRWDZBQOSA-N 410.430 1.847 30 10 HDEE Cc1cc(C)n(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)n1 1492759600 IFFQTVWKPUPIBA-GOEBONIOSA-N 422.559 1.530 30 10 HDEE CCCN(CC)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1500794301 AIGUDEDVRRZFJA-WIYYLYMNSA-N 420.558 1.779 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCC1 1503602340 FEVQBWFCGJUQGD-UHFFFAOYSA-N 416.551 1.783 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1504814317 WIOPGBCCGAIHFM-IIBYNOLFSA-N 415.494 1.741 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1507571672 JTBWOXQLAAJTDE-BZSNNMDCSA-N 403.527 1.768 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(-c2ccccc2)c1 1507601311 OWJYYQFQDOJDNG-HNNXBMFYSA-N 413.507 1.192 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1507617280 RSYUATUYGFFAQK-XGCWNURASA-N 420.560 1.176 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1507630551 BXCAALZMLIOXNK-MRXNPFEDSA-N 403.508 1.493 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCOc1ccc(OC)cc1 1507673459 TWJMUYDYYYBVGR-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507709324 VEUDDJDEFKNQLJ-ROUUACIJSA-N 400.527 1.859 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C(=O)NC 1507744443 RVZWRZUQDYWWRR-CQSZACIVSA-N 415.523 1.110 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2cncn2)nc1 1507818790 NYSCBOKCHBWZJX-INIZCTEOSA-N 407.482 1.656 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1507936549 GTLDRFKMVBAIJI-HNNXBMFYSA-N 416.530 1.957 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1507968151 PNFOOKURKOBPTI-DAYGRLMNSA-N 413.544 1.239 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCN(C)C1 1508037241 HMTNEDANBATWRM-OAQYLSRUSA-N 415.494 1.379 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)OC)CC1 1508072731 GGYCGSJKGCTZOS-UHFFFAOYSA-N 418.885 1.685 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)C(=O)NC)C1 1508132280 SOPNJPOWSNUKJZ-QGZVFWFLSA-N 415.542 1.693 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1CSC 1508142313 SDPJWAJKZAPGEI-UONOGXRCSA-N 413.569 1.162 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508389216 GOULDWKLKMLULE-OAQYLSRUSA-N 407.478 1.059 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CN(C)C2=O)CCOC1 1509788698 MFRCPVSDRRXHAO-UIAACRFSSA-N 404.515 1.535 30 10 HDEE Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)sc1C 1510420000 GRYLALLVCLOIMV-SCLBCKFNSA-N 403.487 1.987 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCCNC(=O)C(C)C)CCOC1 1516160437 CMZWLSLVUNFSQG-NRFANRHFSA-N 418.542 1.832 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNS(C)(=O)=O 1517395893 MUIMYMBBPVNFSR-GOSISDBHSA-N 405.528 1.353 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1535384027 YELFKNJNQWOCBG-OALUTQOASA-N 416.540 1.652 30 10 HDEE Cc1c(C(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)cnn1CCC#N 1537716221 WYJVMJKSEBCVQZ-LJQANCHMSA-N 408.506 1.733 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3coc4c3C(=O)NCC(C)(C)C4)CC2)c1C#N 1538698638 WSSWVEJVQHZEGV-UHFFFAOYSA-N 410.478 1.468 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CC1(N2CCOCC2)CC(OCC)C1 1539185316 DLJQTPMHHLYDCY-UHFFFAOYSA-N 424.549 1.603 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCN1CCOC1=O)[C@H]1CCS(=O)(=O)C1 1539223170 ZIYOCCDJBMTLFI-INIZCTEOSA-N 421.523 1.015 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1539322975 BPPQMEDUWSTHQP-HXUWFJFHSA-N 405.502 1.995 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2CCC(F)(F)CC2)CC1 1539445709 CTZNZMCYZBDZCY-MRXNPFEDSA-N 406.481 1.810 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1539631875 NZOIJHRWOZSIMZ-TVFCKZIOSA-N 419.526 1.105 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1539744178 DMPPVLDNIDBNII-WWMYMODYSA-N 419.526 1.596 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539801525 BYROEMIQUDAKKW-INIZCTEOSA-N 411.934 1.904 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539821344 YHFCAXGHXXKIDF-YOEHRIQHSA-N 418.947 1.695 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C1(S(C)(=O)=O)CC1 1539851745 XHHVEGMQTBMDMA-AAEUAGOBSA-N 409.895 1.646 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)C1=O 1539963922 FCSCAPVTRGMADW-FGTMMUONSA-N 403.454 1.981 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540872219 HJAYCPSYEKIANI-HKUYNNGSSA-N 424.549 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)OC)C1 1540899796 AGTSKWSAKMETSB-KRWDZBQOSA-N 418.519 1.935 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2coc(/C=C/C(=O)OC(C)(C)C)c2)CC1 1542894513 AJGYLONLCZZRJF-BQYQJAHWSA-N 415.490 1.532 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 1544036255 RZCLEJOUFBGAAF-KGLIPLIRSA-N 419.569 1.910 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 1545776526 GPGRDYXPMIKSSP-CHWSQXEVSA-N 424.452 1.934 30 10 HDEE CCOC1CC(O)(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@](F)(C#N)C2)C1 1548036624 QGBRSCBXGOJFGA-NVHLDHDQSA-N 411.478 1.374 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC 1555670271 UOQJNYQAVFZPSY-NVXWUHKLSA-N 401.467 1.788 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(C(C)C)n3CCN/C(O)=C3/N=CC=CC3=O)C[C@H]21 1555758360 TUIGVAMZZWGCRN-DOLUGPGNSA-N 414.510 1.647 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCCO3)nnc2N2CC[C@](F)(C#N)C2)CCC1 1555792157 GRXUBDBZYSYIOR-YOEHRIQHSA-N 411.503 1.929 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCCC(C)(C)[C@H]1C#N 1556499455 DMVZLFAILNQHKB-UONOGXRCSA-N 401.529 1.855 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@](C)(C(=O)OC(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1556915653 RRSDOMOKEOUABD-HXUWFJFHSA-N 421.519 1.991 30 10 HDEE CC(C)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H](O)c1ccc(Cl)cc1 1557671670 LDQFUWAHTSFGSC-SJORKVTESA-N 404.854 1.738 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCOc1ccc(S(N)(=O)=O)cc1)C(=O)OCC 1557935437 ZYUFSLNHGLOUBE-AWEZNQCLSA-N 404.872 1.293 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCN2CCOCC2)[C@@H]2CCSC2)c1 1559946050 JRNFCTKZSDTZSV-LJQANCHMSA-N 416.547 1.456 30 10 HDEE COc1ccc(C(=O)NCc2ccnc(C#N)c2)cc1S(=O)(=O)N1CCCC1 1568544030 SUXPJCRLXALDHZ-UHFFFAOYSA-N 400.460 1.676 30 10 HDEE N#Cc1cc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)ccn1 1568544226 YOWNBUIWZOLHMS-UHFFFAOYSA-N 404.423 1.043 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cc(C)c(C#N)cn1 1568729985 UXXNXJUOPBKMIF-MRXNPFEDSA-N 402.451 1.886 30 10 HDEE COc1ccc(Cl)cc1C(F)(F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585139080 QNTDRNUSCWNIES-BONVTDFDSA-N 404.822 1.837 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCO[C@]4(CCSC4)C3)C2=O)cc1 1585722112 DKIYPEZYWPZZGP-OXQOHEQNSA-N 414.487 1.498 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)OC)c1 1587213438 PXKAULQORYSWPW-YOEHRIQHSA-N 410.492 1.239 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 1588141314 XONLMDAOINSAIN-XMSQKQJNSA-N 414.506 1.340 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(O)(CCC)CCC 1588228891 NATBDWMIDZZJOE-SFHVURJKSA-N 420.579 1.974 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1588433171 MMZITRBOILWEIK-UHFFFAOYSA-N 422.533 1.745 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(NC(C)=O)CC1 1593691196 ULJDVEGLGMYHBT-UHFFFAOYSA-N 404.515 1.212 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1594497361 GBKJVYAKJWVHJU-JKSUJKDBSA-N 411.572 1.854 30 10 HDEE C=CCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594738556 ABGWRDQZOABGLS-SFHVURJKSA-N 408.506 1.291 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H]2CSC)nnc1[C@]1(OCC)CCOC1 1595603208 ZLYUHAAQQPPWQZ-KXBFYZLASA-N 409.556 1.564 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595730850 ZFNKPTLJYAQQCM-IAGOWNOFSA-N 411.572 1.539 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)CSc2ccc(C#N)cc2)cn1 1595731484 LKOHFKJXTDMYLS-QGZVFWFLSA-N 404.517 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCS[C@@H](C)C1 1595812571 YCNYMRMYGNYNIY-HNNXBMFYSA-N 407.565 1.806 30 10 HDEE C#Cc1cccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)c1 1597403503 STHSTLPBKZBSFC-UHFFFAOYSA-N 400.236 1.190 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1611304191 XJIAVPMFGQWRIT-VQIMIIECSA-N 423.521 1.852 30 10 HDEE Cc1nccn1CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1612443915 KKBADLUQXNJLIZ-FQEVSTJZSA-N 414.489 1.828 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)N1CCCCCC1 1612575592 CSDCQVAYWNBFNG-UHFFFAOYSA-N 409.494 1.914 30 10 HDEE C=CCNC(=O)O[C@@H]1CO[C@@H]2[C@H](Nc3nccc(-c4cccc(C#N)c4)n3)CO[C@@H]12 1614588457 BMCLHEQUDQUJRN-MKXGPGLRSA-N 407.430 1.874 30 10 HDEE CCN1CCN(C[C@H](C)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1615911205 BKUJRLGFSJNGOX-MSOLQXFVSA-N 409.575 1.963 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 1616260580 DKRYVHDACIFTMK-HBGVWJBISA-N 419.526 1.600 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)CC1 1617221615 XJYFLIGCQKPSSO-UHFFFAOYSA-N 420.521 1.941 30 10 HDEE COCC[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1619801465 CYJHRVKRBJOOLY-RMYFCYLKSA-N 400.483 1.545 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)n1 1623494624 OIWXWNAMEZCTLN-LJQANCHMSA-N 413.453 1.998 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1623973294 FHRUAKCVROULTF-AUUYWEPGSA-N 409.483 1.706 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CCCOC1 1626242790 NUNQJIZVRCLZLS-HXUWFJFHSA-N 407.467 1.743 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cc(F)c(C#N)c(F)c1 1627406129 NKTUBNZGMBGQCZ-UHFFFAOYSA-N 424.385 1.795 30 10 HDEE C[C@](CO)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1633332947 MUHYSLBUUKYSOB-ZLDMJUSRSA-N 411.380 1.946 30 10 HDEE CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCN(CC(F)(F)F)C1=O 1633341845 ZVCVFGQPSPTSPI-ZDUSSCGKSA-N 421.372 1.358 30 10 HDEE COCCO[C@H]1COCC[C@@H]1NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1634362117 KBVIOZBWUSVEEM-ROUUACIJSA-N 410.511 1.574 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1634944240 PPYPICJOYQDDMF-CYBMUJFWSA-N 408.476 1.733 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCO[C@@H](c2ccccn2)C1 1635266669 FMHBZHASYOGZLY-FRQCXROJSA-N 407.478 1.884 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CCN(C)C)c1cccnc1 1635354462 XRXNDRAXBWCQFD-BEFAXECRSA-N 415.519 1.429 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)n1 1635721102 DXTJCELGBCCUGI-UWJYYQICSA-N 420.510 1.252 30 10 HDEE CN1CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)c2ccc(Br)cc21 1636290393 BSEOVPWBSANEGS-UHFFFAOYSA-N 418.251 1.456 30 10 HDEE N#C[C@]12CN(C(=O)CCOc3ccc(Cl)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1636512963 XIVMBDLKIYCVPG-MEDUHNTESA-N 413.839 1.414 30 10 HDEE COC1(CO)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1640489893 XCGBSJRCOLSFIV-UHFFFAOYSA-N 408.296 1.757 30 10 HDEE CCOC(=O)Nc1ccc(F)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1648029092 XKCKQCCNJNQWJN-UHFFFAOYSA-N 401.354 1.225 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ncc(-c3ccccc3)[nH]2)cc1 1651655433 KIIMMAGRYMHKRV-UHFFFAOYSA-N 408.483 1.961 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1652172840 JUAZCXFAERXSRL-SFHVURJKSA-N 418.519 1.660 30 10 HDEE Cn1c(=O)nc(O)c2c1nc([N+](=O)[O-])n2CC#Cc1ccc(OC(F)(F)F)cc1 1652271877 CNXKCUHLIFIBCX-UHFFFAOYSA-N 409.280 1.694 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2SC[C@@H](C)C#N)C[C@H]1C(=O)OC 1655867033 WLBRFEZXLWGDFE-RRFJBIMHSA-N 419.503 1.771 30 10 HDEE COc1ccc(NC(=O)NCC2(C#N)CCOCC2)cc1S(=O)(=O)NC1CC1 1659386543 HUDXMPMXGADYGZ-UHFFFAOYSA-N 408.480 1.578 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)Cc1cccc(S(C)(=O)=O)c1)C(=O)OCC 1665496571 FQYKYFMNBXCJTJ-CQSZACIVSA-N 409.913 1.584 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@H](C)O1 1668654305 HKYSRVQFTYVYJN-MWLCHTKSSA-N 407.261 1.884 30 10 HDEE Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N(C)C 1680958110 PNWBIAFUGXUGAB-YNVMFWSZSA-N 404.536 1.566 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 1681546490 MELXBBMJJDIINF-MJGOQNOKSA-N 404.461 1.853 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCC(=O)Nc1ccc(I)cc1 1682296997 WVQCQIDTNKKYBE-CYBMUJFWSA-N 415.231 1.303 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1690082484 CSAKUXZIVYZFLH-QGZVFWFLSA-N 402.520 1.794 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCNC(=O)OC(C)(C)C 1690104741 HOYAEKRRKCOVPL-UHFFFAOYSA-N 414.510 1.875 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCCCC2)CC1 1690128774 JRCDLMFKIAQIIO-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690316442 FQDTZDLBMNKFHH-IBGZPJMESA-N 405.543 1.945 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCNC(=O)c2ccco2)C1 1690697237 RAKVVJVGUHASAA-INIZCTEOSA-N 411.466 1.483 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1CC1CCN(CCN(C)C)CC1 1691009929 ARZZIRSJHUYRCG-IEBWSBKVSA-N 403.575 1.999 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccccc1F 1692774101 FXOTVFDNBOILMJ-ZDUSSCGKSA-N 406.487 1.816 30 10 HDEE Cc1nccn1CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1693390607 BRTKPYKKOYXWOW-KRWDZBQOSA-N 417.539 1.515 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1693514715 ZBCCQFGVZHGAAR-JKSUJKDBSA-N 400.458 1.464 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](C#N)C1 1696694694 FXOKCGXKIVCIAD-QGZVFWFLSA-N 418.461 1.122 30 10 HDEE COCC1=CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1697827803 BPZIGMKLMKFWQW-FMQUCBEESA-N 412.494 1.540 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1705495022 JSIPQOIECHCQQA-CVEARBPZSA-N 418.519 1.726 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](Cc2ccccc2)OC)CC1 1705639433 NWSSXFXWSFDLNL-SFTDATJTSA-N 409.534 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](C)N(C)C(=O)OC(C)(C)C)CC1 1705644717 AALCULXPFARTQC-HNNXBMFYSA-N 418.542 1.808 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1705834580 NXDFWROLCHVFDT-DZGCQCFKSA-N 412.585 1.875 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCc2oncc2C1 1705936538 SOODWEFDZVPTMU-CQSZACIVSA-N 407.496 1.324 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)Cc1ccon1 1706747048 HRBMRTMSXAGLHL-CQSZACIVSA-N 423.543 1.713 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1(=O)=O 1706749662 AEDJCIFEUOTVCL-WBVHZDCISA-N 402.524 1.970 30 10 HDEE CC[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709263694 HDZSZUYBYPIORD-MEUCICPISA-N 424.509 1.831 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N2CCSCC2)CCCC1 1710744519 GATJJLVWWVOREQ-KRWDZBQOSA-N 420.583 1.905 30 10 HDEE CCOCCCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1710805688 LFBPTLJXBUZFBQ-GHTZIAJQSA-N 418.542 1.533 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O 1710866312 IEKQGABGNLZCAX-UHFFFAOYSA-N 405.524 1.849 30 10 HDEE Cn1cc(-c2nnc(N(CCC#N)CC3CC3)n2C[C@@H]2CCCCS2(=O)=O)cn1 1711246300 FYLZTHADDLGTLH-KRWDZBQOSA-N 417.539 1.776 30 10 HDEE COc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1711993235 FJIFMHJCVZCXTD-FZKQIMNGSA-N 422.486 1.387 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCC[C@H]1C 1712647866 MABRZIDNRRHEEV-SUFIHLRJSA-N 405.499 1.282 30 10 HDEE C#CCN1CCC(C(=O)NCC[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2C)CC1 1719757979 DHGDZBOHFRLNTR-MLZLACJZSA-N 401.551 1.500 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)[C@H](C)CC 1722397815 VGOBFWNINYXCGW-HLIPFELVSA-N 406.552 1.440 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1 1722411160 ZPHILDXFEUGBSL-HUUCEWRRSA-N 410.469 1.045 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(CCC)C(=O)C1 1722460366 XQPKIUBSOYGYAT-QGZVFWFLSA-N 405.568 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1722507300 HUSLQVHFMQBHJG-SJORKVTESA-N 411.572 1.902 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722532488 NVAAEXIMFUSCRV-AEFFLSMTSA-N 413.526 1.624 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C(C)C)CC1 1722609005 PPGGXSOLQPLDGX-HNNXBMFYSA-N 412.560 1.159 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1722671120 JNKMNCCRGXVMDW-ROUUACIJSA-N 402.543 1.764 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1722681896 VDXFZHSKRWVWPP-SFHVURJKSA-N 411.506 1.755 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722694650 CUSJTWNKGMCMFV-CVEARBPZSA-N 408.418 1.233 30 10 HDEE CCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1729158435 BAGIZPKXWKLICD-CVEARBPZSA-N 412.498 1.195 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCN(CC(F)(F)F)C1 1740601452 VWGYHTQCNAAUQE-CABCVRRESA-N 403.449 1.956 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc(C)nc(N2CCCC2)c1 1740612575 DHNSHYLLKHAHLM-UHFFFAOYSA-N 407.522 1.822 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1740627404 QGZOFARFMVTRBN-ZACQAIPSSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1740631015 NLENRHHONSSTEH-ZWKOTPCHSA-N 420.583 1.082 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CC=CCO2)CC1 1740703926 DEJHEUXCMZDPPI-IBGZPJMESA-N 420.517 1.959 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNS(C)(=O)=O)CC1 1740840953 DQQANYCTJJQZPC-UHFFFAOYSA-N 421.571 1.481 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCCN(CC(F)(F)F)CC1 1740960949 HDLKNYWLMCTUGN-UHFFFAOYSA-N 402.465 1.853 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@@H]1CCOC1 1748638201 KRGQYFLFOMITCQ-SJORKVTESA-N 412.494 1.827 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1748802159 MIAMJAKIAXKTHK-DNVCBOLYSA-N 410.540 1.008 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1748824110 JBMOVLOHUZSDCD-ZIAGYGMSSA-N 418.466 1.386 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCN1CCN(C(C)=O)CC1 1748834702 UDELBNGIYWEVHT-UHFFFAOYSA-N 418.545 1.744 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1748906129 PBLAZFCKILOJLH-WMZOPIPTSA-N 424.615 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCC(C(=O)NC)CC1 1749738852 YZTYBIRSBGZRNL-UHFFFAOYSA-N 423.583 1.574 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1760129286 IMOARGWRWUXASU-RTBURBONSA-N 416.570 1.767 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760143365 DHEQMMCXAULEDO-GOSISDBHSA-N 400.527 1.334 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1760151860 QKKQZOVANAEYSP-LJQANCHMSA-N 421.549 1.886 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1760175743 QEPVNQMKIJDDQK-MRXNPFEDSA-N 402.520 1.525 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1760186543 DHHNCYGSWZDQJI-BBWFWOEESA-N 417.535 1.212 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1760245405 BSXUCLUYOSVMAO-GOSISDBHSA-N 406.490 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCOCC(F)F)CC1 1760268765 XVVDTIBMFXKFKV-UHFFFAOYSA-N 418.448 1.588 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1760312279 RVCKLTATJZOLQS-DZGCQCFKSA-N 414.348 1.880 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1760346442 ZYTDQJNFESOWSB-UONOGXRCSA-N 408.484 1.026 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccccc2C#N)CC1 1760528004 PFILMFANJNDDCU-UHFFFAOYSA-N 409.494 1.315 30 10 HDEE C[C@@H]1CCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1762934987 DKNBTCWHEIYVIR-MVZUJROASA-N 407.478 1.779 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C#N)o1 1767599293 PYQOBFAYDDNHEI-ZDUSSCGKSA-N 410.482 1.471 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCCC1 1767932007 FTGVJOYHLFNSRQ-UHFFFAOYSA-N 411.510 1.713 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)CCO1 1769489865 ABMXSUDJHGMLBX-OALUTQOASA-N 413.478 1.474 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1771112380 NBFJFSOTSAUCSN-LVCYWYKZSA-N 419.526 1.877 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(C#N)cn1 1848585849 IQCQDJMQNSUWLY-UHFFFAOYSA-N 412.471 1.807 30 10 HDEE CCc1noc(-c2cccnc2-n2cnc(C(=O)NCC#CCN3CCCC3)c2)n1 1850498138 NFUJCRCAPMVCGP-UHFFFAOYSA-N 405.462 1.709 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1850777762 GHLIDKOMNQAMRD-ZDUSSCGKSA-N 418.346 1.828 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CCCNC(=O)c2cnc3c(C#N)c(C)nn3c2C)C1 1851677594 OXGBWXADTZYXHN-MRXNPFEDSA-N 412.494 1.613 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N=C3NN(c4ccc(Cl)cn4)C[C@H]3C)C2)no1 1852032433 UTGWSILXLCGHDS-SNVBAGLBSA-N 402.842 1.689 30 10 HDEE C[C@@H](C(=O)NCCN1CCC(C#N)CC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1852708217 ICTJUQWNUGUNLR-LBPRGKRZSA-N 418.441 1.614 30 10 HDEE N#Cc1ccc(-c2ccc(OCCCN3CCN(S(N)(=O)=O)CC3)cc2)cc1 1853099832 KFFUCMNMTCVICG-UHFFFAOYSA-N 400.504 1.815 30 10 HDEE N#Cc1c[nH]cnc1=NC(=O)[C@@H]1CCCN(c2nccn3nc4c(c23)CCCC4)C1 1853354500 IORVKHYIMGLMSD-CQSZACIVSA-N 402.462 1.547 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)Cn3cc(-c4ccc(F)cc4)cn3)C(=O)C2)C1 1853730138 ZBTDRAJSOAPENF-HXUWFJFHSA-N 411.481 1.620 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC(C#N)CC2)CCC1=O 1853759389 VTYVQMAZKJBVMU-INIZCTEOSA-N 403.504 1.704 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](F)CC(F)(F)F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638167 IIKBLQXESRKBLZ-GWCFXTLKSA-N 421.372 1.597 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)CC(F)(F)OCC)CCC2=O)CC1=O 1855590010 ASFHLGDXLSBJJW-CABCVRRESA-N 401.454 1.347 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3C[C@H](CN(C)CCC#N)CC3=O)CC2=O)cc1 1855704921 MGRLBTBLOJSRFH-DLBZAZTESA-N 412.490 1.659 30 10 HDEE CCOCC(=O)N1CCCC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1855767775 BLHDYUOYDZQRCR-IBGZPJMESA-N 418.538 1.405 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3cccc(Cl)n3)C2=O)CC1 1856320016 HVSCWMVYUFCLJM-QGZVFWFLSA-N 424.892 1.955 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3ccc4nccnc4c3)C(=O)C2)cc1 1856368190 CMEPQKPYWXPRES-UHFFFAOYSA-N 401.426 1.865 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708337 VLOLAYXYIGUPCU-OLZOCXBDSA-N 405.423 1.335 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@H]2OCCc3ccccc32)CO1 1856782533 DNYWFUZVMAIBCJ-APWZRJJASA-N 414.439 1.720 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(C[C@@H]4CCCOC4)C3)CC2=O)cc1 1856849000 ULUTZHJWHCFHBG-LEWJYISDSA-N 410.518 1.272 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccccc3Cl)C2)CC1 1857027311 XRAIYUZYHBDIPX-CQSZACIVSA-N 409.895 1.894 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)n(CC)n2)C1)[C@H]1CCN(C)C1=O 1857079648 FNOZULOSTURXTE-AEFFLSMTSA-N 401.511 1.309 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3C[C@H](CN4CCC(CC#N)CC4)CC3=O)c2c1 1857247865 DBGVSCPZVQYEFT-KRWDZBQOSA-N 410.474 1.904 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NC(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858298152 GRJYEKPWVBVJMQ-CABCVRRESA-N 408.380 1.442 30 10 HDEE C=CCNC(=O)[C@@H](CCC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861601541 XFACOLDOJXIDDC-GDBMZVCRSA-N 401.463 1.413 30 10 HDEE N#CCCN(CC(=O)O)C(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1866341716 YBFDIUXQVCQCAW-UHFFFAOYSA-N 416.390 1.578 30 10 HDEE C=CCN(CC=C)C(=O)C(C)(C)NC(=O)c1ccc(C)c(S(=O)(=O)N(C)C)c1 1868633745 TZFWFLVXNRZNIX-UHFFFAOYSA-N 407.536 1.954 30 10 HDEE C=CCN=c1nc(Nc2ccc(NC(C)=O)cc2)[nH]c(N2CCN(C(C)=O)CC2)n1 1871477903 QCUWJUJIJHWMJI-UHFFFAOYSA-N 410.482 1.262 30 10 HDEE CN(C)c1ncc(/C=N/n2c(S)nnc(Cc3ccccc3[N+](=O)[O-])c2=O)cn1 1873495128 MTNFKYGLGAXGGK-KEBDBYFISA-N 412.435 1.164 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(C(=O)O)cc1 1874435988 HDXUWBQTLGFGHA-AWQFTUOYSA-N 419.463 1.540 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)C2CN(c3nc4ccc(S(C)(=O)=O)cc4s3)C2)C1 1891046913 SZHVIEHSQQCLMG-CQSZACIVSA-N 419.528 1.387 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)c([N+](=O)[O-])c3)CC2)CC1 1891176633 QYTLQZNMCMSPDE-UHFFFAOYSA-N 418.469 1.606 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)[C@H](C)C#N 2174789255 OMWGVJFDUNCMPQ-MCIONIFRSA-N 403.501 1.397 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)C[C@@H]1C(F)F 2174789511 RGWRLNXKVIEBHG-QWHCGFSZSA-N 402.423 1.732 30 10 HDEE C#CCN(C(=O)[C@@H](F)C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2199085452 HNMUDGDPOSEQNF-CVSAEHQPSA-N 402.488 1.277 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243384033 IPEUNVOSEJJBPF-UHFFFAOYSA-N 406.292 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247778969 LDLBZDXSPBZXQP-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)OC(C)(C)C)C1 2247840835 BOIOMHYMEYRLIN-UHFFFAOYSA-N 419.331 1.921 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCONC(=O)OC(C)(C)C 2247910715 NZUXHEADTFGGBY-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CCN(C)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356189 XMJORDAVBRHWPO-UHFFFAOYSA-N 408.782 1.931 30 10 HDEE C#Cc1ccccc1CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270542094 KAQAZXVNUVUIBL-SFHVURJKSA-N 416.455 1.467 30 10 HDEE CN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C1CCS(=O)(=O)CC1 2281992731 QUKQXDFWRMJRGD-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCN(C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282314627 CBRVYPRGXAYRLX-UHFFFAOYSA-N 400.375 1.682 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](F)C[C@H]3CN)cc2Cl)OC1(C)C 2282317115 MQTGDAZELOZGDT-UWVGGRQHSA-N 424.756 1.761 30 10 HDEE CN(C)C(=O)C(C)(C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332887 HPOOMZBJJYWNHW-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C[C@@H](C)S1 2282335416 PJDMXHGDBFBBET-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282338821 UNCJXUYAQQWMRM-STQMWFEESA-N 401.359 1.686 30 10 HDEE COC[C@H]1CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282492281 ODAIOMYFSXBWSV-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CO[C@@H]1C[C@H]1CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282497029 KUPXCNUQCPLKNL-QWHCGFSZSA-N 401.359 1.977 30 10 HDEE Cc1cc(S(=O)(=O)N2CC(C)(N(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282828475 OXIGJFRPXCZQMB-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1O 2282828642 RWYNUFPDCIQFSJ-JQWIXIFHSA-N 402.347 1.021 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](CCN)C1 2282833485 XUBQABBNSQDNKR-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE COC(=O)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282835353 SPUIQFCKCJPXAH-UHFFFAOYSA-N 401.315 1.149 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)C1N 2282853824 JSVJUIOBFBNGEF-VXGBXAGGSA-N 400.375 1.651 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCNCC3(F)F)s2)OC1(C)C 2282864896 MTCZRLGZWGWOPM-SNVBAGLBSA-N 408.301 1.323 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CN[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282871326 FGJLASRYBODKPM-GWCFXTLKSA-N 400.375 1.693 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H](C(=O)O)C3)s2)OC1(C)C 2284400140 RZQGLOQTIUZWEO-XYPYZODXSA-N 401.315 1.436 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@H]3N)c(Cl)c2)OC1(C)C 2287580442 RXIBRGWWJKTOEB-BXUZGUMPSA-N 400.737 1.655 30 10 HDEE C[C@H](O)CN(C1CCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2288009253 AILJFBOORPRZEG-LBPRGKRZSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N[C@H](CCO)COCc2ccccc2)OC1(C)C 2303605994 CUZVEHOHAXXMRT-MRXNPFEDSA-N 415.299 1.407 30 10 HDEE CC(C)(C)OC(=O)NC1C[C@@H]2COC[C@H](C1)C2(NCC#CBr)C(=O)O 2326194360 FLCABAUHCZGUNE-JPZVUWATSA-N 417.300 1.705 30 10 HDEE CCc1nnsc1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2360883435 JNJUEIDQCASVAK-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)C1COC1 2367804837 XAXVTSJWOYESIU-JKSUJKDBSA-N 400.541 1.475 30 10 HDEE Cc1cc2c(cc1S(=O)(=O)N(C)CC(=O)Nc1ccc(C#N)cc1)OCC(=O)N2 8607689 OEPFHIOPXSUULU-UHFFFAOYSA-N 414.443 1.457 30 10 HDEE COc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 31321029 CLOXKVMHHBFDDV-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE COc1ccc(CCNC(=O)CSc2n[nH]c(N/N=C/c3cnn(C)c3)n2)cc1 59310913 RPCIXBBPUAKUMU-AWQFTUOYSA-N 414.495 1.444 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 254713670 NPMISSOGPDLTON-OLZOCXBDSA-N 400.453 1.682 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1ncccc1S(C)(=O)=O 426867668 WUELMZQDSJTVPK-UHFFFAOYSA-N 415.519 1.630 30 10 HDEE COc1cc(OC)c(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)c(OC)c1 427762420 SWECTFPFTPUJMI-UHFFFAOYSA-N 422.463 1.933 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)n(C)n1 446941059 IOFFQFVTGJXLIK-SFHVURJKSA-N 408.510 1.496 30 10 HDEE CCOC1CC(CCNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 473707207 UMEXXFPCHMFXJF-UHFFFAOYSA-N 420.535 1.779 30 10 HDEE CCNS(=O)(=O)c1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 480741283 NNCNIUFOXFIJDM-UHFFFAOYSA-N 411.480 1.615 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1COc2ccccc2O1 484638860 LLDVFCLLZLOILF-GDBMZVCRSA-N 415.471 1.571 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1 496307405 UQNIZGCVBDNOIO-AWEZNQCLSA-N 413.441 1.855 30 10 HDEE C=CCNc1ncc(C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)s1 507626426 STSMUIVDADZBTB-UHFFFAOYSA-N 404.517 1.958 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)c1 515934085 ZEKNDNLBOZNJDD-IRLDBZIGSA-N 413.543 1.805 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(F)cc(F)c2)c(=O)n1-c1ccccc1C#N 535892469 SMGBUGOZRBADIL-UHFFFAOYSA-N 422.416 1.298 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(CN3CCOCC3)cn2)CCN1Cc1ccccc1 538324343 KEPFPWQGWWGHTM-NRFANRHFSA-N 405.502 1.764 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)c1 542432077 LNVVNKGUXXUQSJ-SFHVURJKSA-N 414.487 1.471 30 10 HDEE C=CCn1c(Cc2noc(Cn3c(O)nc4ccccc43)n2)nnc1N1CCOCC1 544244715 GDLVDOZAQFLXAE-UHFFFAOYSA-N 422.449 1.378 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 545284500 RVFDBFSYINDSPA-CABCVRRESA-N 418.519 1.644 30 10 HDEE COc1cc(C#N)ccc1NC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 546711768 OOCOUKZIKMRSFY-UHFFFAOYSA-N 410.430 1.828 30 10 HDEE N#Cc1ncn(CCNC(=O)c2n[nH]c3ccc(I)cc23)n1 561295096 KUYXRPKKMIVCHY-UHFFFAOYSA-N 407.175 1.061 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 577318271 BBCAGKZKUNTCEP-MOPGFXCFSA-N 408.483 1.820 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 585227111 NOPBLKUVPHRHDT-UHFFFAOYSA-N 407.478 1.386 30 10 HDEE Cc1ccc(=O)n(CCN2CCCC[C@H]2C/N=C2/NS(=O)(=O)c3ccccc32)n1 585623389 FVSZPLIGJJQEMR-INIZCTEOSA-N 415.519 1.145 30 10 HDEE C[C@H](NC(=O)N1CCN(c2cnccc2C#N)CC1)c1ccc(S(N)(=O)=O)cc1 589853234 JSLJZKJGUQZHPG-AWEZNQCLSA-N 414.491 1.193 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H]4CN(C)C[C@@H]43)nnc12 646911592 BXKHOSSIBCNZQA-PBHICJAKSA-N 424.530 1.485 30 10 HDEE Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1C#CCCO 703968254 DFDSVLOJEQOZFZ-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCOC[C@H]3C[C@H](O)c3ccco3)cc2)c1N 763775265 NBQTZOYYBDGEID-MSOLQXFVSA-N 407.430 1.884 30 10 HDEE O=C1N=C(NN=Cc2ccc(OCc3ccccc3)c(Br)c2)NC1=O 765594884 YBSXAGJSFPOTTQ-UHFFFAOYSA-N 401.220 1.964 30 10 HDEE C#CCOc1ccccc1CNC(=O)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1 766455901 DAGRADYIELGOKB-UHFFFAOYSA-N 412.446 1.448 30 10 HDEE COC(=O)C(C)(C)[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 766983928 VEVPCJXPYRCGBC-FXBHHXAOSA-N 414.462 1.753 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(C#N)cc2F)C1=O 771260342 LLGMSSHIFPFQQY-OAQYLSRUSA-N 410.405 1.789 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 773289922 DTXNDOAGYBGSBK-UHFFFAOYSA-N 400.456 1.498 30 10 HDEE C#CCN(C(=O)COC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 777172190 NHBOBRYSMWCJQK-OAHLLOKOSA-N 414.524 1.051 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC[C@H]1COc2ccccc2O1 780176965 QXWSHRHELDLOCY-QKKBWIMNSA-N 418.446 1.747 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1C#N 785575675 WNFMATNLOOVBBJ-FQEVSTJZSA-N 422.485 1.373 30 10 HDEE COCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)[C@@H]1CCOC1 785708492 BTVZCLSKWMTIGH-JIQGDJCJSA-N 424.523 1.769 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1 788847950 AJUIMRNHUGYECK-HNNXBMFYSA-N 419.507 1.083 30 10 HDEE C=CC[C@]1(C(=O)NCCCN(C)S(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 790292147 HXVPZIGUSVEAKP-GOSISDBHSA-N 403.545 1.730 30 10 HDEE C=CCCCNC(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 790873017 QAPQORDQFVBWNG-UHFFFAOYSA-N 416.544 1.229 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)CC1 793205405 ZADYHUVJJYWHPW-LBPRGKRZSA-N 417.534 1.041 30 10 HDEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O)c1ccc(F)cc1 794893119 AMICTYADOLLPRQ-CCKFTAQKSA-N 404.463 1.653 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1C 796132692 OGENUJMSNJEDDB-LJQANCHMSA-N 406.552 1.906 30 10 HDEE C[C@H](C(=O)NN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)n1cnc(C#N)n1 799102216 VLRXMAMJCGTLNY-CQSZACIVSA-N 415.413 1.238 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)Nc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 802500231 QNCHPSSSILTYCQ-SJORKVTESA-N 404.492 1.125 30 10 HDEE CCOCCCN1CC[C@@H](NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@H](C)C1 806224972 BVVOYQLUDITNHS-VQIMIIECSA-N 416.522 1.436 30 10 HDEE N#Cc1c2c(n(C[C@@H]3CCCO3)c1NC(=O)COC(=O)Cc1cncnc1)CCCC2 811328730 YZVJNJLTGJDDCW-INIZCTEOSA-N 423.473 1.932 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc2c1OCO2 839202729 DILUALFPKCJJTA-UHFFFAOYSA-N 421.409 1.802 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@]1(C)CCS(=O)(=O)C1 914678552 CGRYREODMJRJCL-GZRFBZBPSA-N 422.503 1.587 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)OCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 919319246 YJYPCDVCCSWKMV-MSOLQXFVSA-N 420.487 1.186 30 10 HDEE C/C=C/C=C/C(O)=C1\C(=O)C(C)=C(O)[C@]2(C)OC(=O)[C@](C)(NC(=O)/C=C/C(=O)O)[C@H]12 1076500383 WVVJWXDENDJFEC-WJLIOPTOSA-N 417.414 1.793 30 10 HDEE Cc1c(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)cnn1CCC#N 1126430205 IOJRJLCARGFLJB-CQSZACIVSA-N 402.480 1.791 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C#N)c2cccc(Br)c2)C1=O 1127691189 MHJTYPGPOHHJAK-KGLIPLIRSA-N 408.252 1.542 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc([N+](=O)[O-])c1N1CCOCC1 1130626521 LVOCGGLEPXYNQI-UHFFFAOYSA-N 403.435 1.849 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)CN1C(=O)COc3ccc([N+](=O)[O-])cc31)C2 1132000712 FKWGPOSTBWHYSJ-UHFFFAOYSA-N 406.398 1.971 30 10 HDEE COCCN(C)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1141599189 AGELUSKQPGQWCH-BQIYRTECSA-N 408.543 1.858 30 10 HDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cc(S(N)(=O)=O)cn1 1142766634 CCKRZMRVPASTEM-NSHDSACASA-N 415.397 1.490 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@]1(C)CN(C(=O)OC(C)(C)C)CCO1 1151151438 MMSDJPFEDAGHAX-IBGZPJMESA-N 406.487 1.281 30 10 HDEE C=C[C@](C)(O)C(=O)N1CCCN(S(=O)(=O)c2ccc(Br)s2)CC1 1151827966 LBUXINBJJCMLLX-AWEZNQCLSA-N 423.354 1.671 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2cccc(C(F)(F)F)n2)c1 1183536874 UIPVPDPFGQGHRR-UHFFFAOYSA-N 412.393 1.609 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1188570335 OJAFQXVVIVCKEM-QYZOEREBSA-N 424.519 1.629 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCC(O)(c2ncnn2C)CC1 1197460083 VNMIEPYTAJWMKM-HNNXBMFYSA-N 414.535 1.989 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)C1 1211230805 TWFZHPIOCHDZHC-SECBINFHSA-N 407.261 1.653 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 1230746651 OYDSEZMNTVZZLL-OWCLPIDISA-N 415.556 1.922 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(c3nccc(-c4cnn(C)c4)n3)CC2)C1 1248674985 BXLPLTJGYKZMJD-IBGZPJMESA-N 407.522 1.864 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1256021619 LPXDUDGRMUJADF-KFWWJZLASA-N 415.498 1.624 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 1272407818 AGDCGHFGMICRIL-MRXNPFEDSA-N 401.438 1.983 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286277378 YGEXIFZDEOYPDM-MWTRTKDXSA-N 423.517 1.722 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1286294427 AUDSWAGTUSVPAK-OAHLLOKOSA-N 401.898 1.839 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(Br)n1)[C@H]1CCS(=O)(=O)C1 1286384811 SULDXCHCIIEFAF-AWEZNQCLSA-N 424.324 1.419 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1286398920 TXIZTRFGYKQQAK-GOEBONIOSA-N 421.548 1.570 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccnc(C(F)(F)F)c1 1286415330 JHOYXJHNAZNBFM-UHFFFAOYSA-N 416.407 1.935 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCC=CO1 1286463741 SMGURYDGHSNXPT-IBGZPJMESA-N 420.477 1.700 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CNC(C)=O)CC1 1286601948 QKVLPTBOYDPIJP-UHFFFAOYSA-N 418.542 1.459 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286772900 GHBIXMVPCCTYMX-HUUCEWRRSA-N 422.530 1.781 30 10 HDEE C=CCSCCn1c(CC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1286832602 WTYFGRYYKXUNRE-AEFFLSMTSA-N 406.600 1.749 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCNc2ccccn2)n1 1290645739 DDKIPXFBYVVPEP-GOSISDBHSA-N 421.509 1.766 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H](C)O1 1291279082 IDYRPFMDJDMSKN-HUUCEWRRSA-N 419.507 1.387 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)[C@@H](C#N)C1 1294435698 HCJOMYCMZFFTIU-LBPRGKRZSA-N 403.464 1.711 30 10 HDEE COC(=O)C[C@]1(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCOC1 1296151799 BIBYQKHJEUHEMV-GOSISDBHSA-N 422.279 1.595 30 10 HDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCOC1 1298155925 MSAPEFGSGHRYHX-YESIBHTGSA-N 416.482 1.271 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1C 1298689556 JEQQDQDUNLCNGN-HNNXBMFYSA-N 402.472 1.918 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ncc(CC(=O)OCC)s2)cc1 1299298496 VIBCVROOTAZVKT-UHFFFAOYSA-N 421.500 1.437 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1300268627 UJDSVWKLBGRBNQ-ULQDDVLXSA-N 404.559 1.762 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1nncn1CC 1300432653 MYGYNITWPRNMID-UHFFFAOYSA-N 412.885 1.591 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOC[C@@H]2CCCO2)CC1 1300704009 YSYHDCPEKKQBIU-NRFANRHFSA-N 424.549 1.605 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300762465 QCGNIALZOAXZCX-GOSISDBHSA-N 417.579 1.987 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc(F)cc3)CC2)cc1 1301656533 DUBQWVYRQPNKAP-UHFFFAOYSA-N 416.478 1.715 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1302954275 JYBNPDKNVVIDLD-RBUKOAKNSA-N 402.543 1.849 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCC2CCOCC2)CCOC1 1303503636 CWSBXOAUDKOEJS-NQIIRXRSSA-N 419.526 1.864 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N(C)C[C@H](O)c1cccc(C#N)c1 1307909300 PLFBTNKIYZSJFS-UGSOOPFHSA-N 402.476 1.198 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1cc(Br)cnc1N1CCN(C)CC1 1310744764 ACXXQOVFLCVPSG-CQSZACIVSA-N 410.316 1.756 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCCN2CCN(C(=O)OC(C)(C)C)CC2)C1 1311487878 XRAGLZQAQULWEA-SFHVURJKSA-N 407.559 1.326 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C1 1312469275 JYEFUEDBFLUFMV-SIRPWMCASA-N 410.515 1.611 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1313191147 QNFUSSQBTJKMQU-KKSFZXQISA-N 409.534 1.800 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1314834221 VCHCUUWRMCOOKQ-VQTJNVASSA-N 419.489 1.826 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1315026064 FCCOQFMNYPDXDK-UHFFFAOYSA-N 407.482 1.461 30 10 HDEE COCCN1C[C@H](Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)CC#N)CC1=O 1316115846 ILXXQKBMVFQLFD-BRWVUGGUSA-N 404.515 1.405 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNC(=O)c2ccccc2I)C1 1320964135 RMKSGCVIWKIWPU-GFCCVEGCSA-N 414.243 1.825 30 10 HDEE C=CC[C@@]1(C(=O)NCCOCCS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1353762159 UOSJKFIXQAOKMT-SFHVURJKSA-N 404.529 1.510 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)NCCCC)CC1 1358919170 UUBQIAUIEYNTKQ-UHFFFAOYSA-N 402.543 1.962 30 10 HDEE C#CCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1358926043 ZYPSSBHOGCWZLI-UHFFFAOYSA-N 420.517 1.630 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1358956586 HZQMRHIDONRGGS-JXXFODFXSA-N 420.535 1.919 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CC1(C(N)=O)CCOCC1 1358990494 PWQQZAWOMSZWKD-UHFFFAOYSA-N 405.502 1.999 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1359010784 ZBZHNJSUVIICKU-HZPDHXFCSA-N 402.524 1.414 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2CC2(C)CC2)n1 1359028470 TZPQDSVXESTOHC-KRWDZBQOSA-N 411.510 1.512 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@H]2COCCO2)CC1 1359029909 KFRNAXILMRMDJI-LEWJYISDSA-N 409.534 1.991 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ncnn2C(C)(C)C)CC1 1359035281 PSOGFZLWSMLOLF-KRWDZBQOSA-N 412.542 1.322 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(-c3nc[nH]n3)cc2)CC1 1359045883 WXFILKJSHJGRIH-UHFFFAOYSA-N 418.505 1.640 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1359227156 UYQPQBUWQKZMKT-CQSZACIVSA-N 416.448 1.506 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NCCC 1359240852 YQGOMPILNNHHTO-UHFFFAOYSA-N 412.542 1.991 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1359465432 CBZIDOLWBTXOJU-CQSZACIVSA-N 415.523 1.601 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CC(=O)N1CCOCC1 1360471601 KRMFHKVKSMEIEP-CYBMUJFWSA-N 403.874 1.591 30 10 HDEE COC(=O)[C@H](CCC(=O)N1CCO[C@@](C)(C#N)C1)NC(=O)OCc1ccccc1 1439710102 PDMPWABFAAVDGJ-JXFKEZNVSA-N 403.435 1.376 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCc1cccc(CS(N)(=O)=O)c1 1442988259 OLSOMSXAKSGHDL-UHFFFAOYSA-N 422.304 1.968 30 10 HDEE CC(C)(C)OC(=O)COc1ccc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 1443535567 KFLDZRWWGRPGNV-ZZEZOPTASA-N 415.446 1.663 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)Cc2ccc(S(=O)(=O)CCO)cc2)c1OC 1443590987 WCOFJZIVJQEHRM-KRWDZBQOSA-N 418.471 1.393 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C 1451885250 XTFUSLWZEVTHJY-MNQBEEPXSA-N 400.397 1.679 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@@H]2CSc3ccccc3O2)cc1 1452177272 DPHDONUSLIVYBE-OAHLLOKOSA-N 417.512 1.896 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 1454934741 HBCZFVZMMGYMQH-KRWDZBQOSA-N 409.508 1.603 30 10 HDEE COC(=O)[C@H]1CN(C(=O)CC2(C#N)CCOCC2)CC12CN(C(=O)OC(C)(C)C)C2 1456292060 NCTVMVXDTWLAEJ-OAHLLOKOSA-N 421.494 1.565 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccsc3C#N)CC2)C1=O 1461544212 PSTLSOOUSAZUDP-NRFANRHFSA-N 423.498 1.736 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)c(Br)cc1F 1462878686 WEYYXCRBPCDPJZ-NSHDSACASA-N 424.313 1.708 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)CC1 1464748050 HDYZUTVBFJOUBF-MRXNPFEDSA-N 404.515 1.751 30 10 HDEE CN(CCO)S(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1467382627 LXRMSVHXICPAJF-UHFFFAOYSA-N 409.414 1.379 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CS(C)(=O)=O)C3)n[nH]2)c1C 1468506568 JEDQUMHGMGDDDH-OAHLLOKOSA-N 405.524 1.973 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2ncc3c(n2)CCOC3)[C@H](C#N)C1 1469727910 DETWJUSCHKCWFJ-IUODEOHRSA-N 402.455 1.108 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C#N)nc1 1475754808 GTRYCNWAKJFERV-UHFFFAOYSA-N 408.480 1.701 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1)C1CCOCC1 1476218865 MIKLKLVRBYXXIW-KDOFPFPSSA-N 401.463 1.918 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1505313716 DYTUYZGGNUAIQU-HXUWFJFHSA-N 409.425 1.118 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507522808 JRCVLKBGVMNKBW-WBVHZDCISA-N 412.519 1.556 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC)CC1 1507740702 DFDVAUUWVUYQCM-ROUUACIJSA-N 403.527 1.768 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1cc[nH]n1 1507765137 ISUJYNHRXLPPCX-OAQYLSRUSA-N 404.478 1.794 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CC1)N(C)C 1507773795 WWOKEVDQLOXRQO-ABSDTBQOSA-N 405.568 1.513 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](C)(C(=O)NC)C1 1507926630 SZSHUEYIOBUVAL-KSSFIOAISA-N 412.560 1.207 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnnn1C 1507978929 VJHXRVRNLVNFBV-UHFFFAOYSA-N 405.466 1.474 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCC1 1508038647 BAUQCBFNDFEBFS-UHFFFAOYSA-N 406.512 1.341 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1([S@@](C)=O)CC1)[C@H]1CCS(=O)(=O)C1 1539203920 WAPNYVANSKOTBQ-RMKBEBRYSA-N 412.581 1.113 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CSCCS2)CC1 1539428522 STTQWLFLQCHPFI-INIZCTEOSA-N 420.608 1.118 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1539520039 NGGOCVOKMBTRSE-SFHVURJKSA-N 418.611 1.586 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1539616594 RMTRUDNXZKHXFH-MLHJIOFPSA-N 405.499 1.712 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540040001 LZAGOXARGGJCLU-WBVHZDCISA-N 416.551 1.941 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1540040205 OWPFWTCGFCVEAH-LAUBAEHRSA-N 419.526 1.377 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCO)CC1 1540522784 JJJDPZGDHGWZFZ-UHFFFAOYSA-N 413.459 1.908 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1540873409 WWGBPWQACYKVKR-QGZVFWFLSA-N 411.510 1.061 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CC=CCC2)CCOC1 1547884479 NHOBJVHMTDRNIX-NRFANRHFSA-N 400.527 1.932 30 10 HDEE CNC(=O)[C@@H](CNC(=O)CCN/C(O)=C1/N=CC=CC1=O)Cc1ccc(F)cc1C 1557187707 VQLXVEQXCHZSNM-DSGGYQJVSA-N 416.453 1.072 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)cc1 1557240430 KUSPBFSYNJXKMV-LJQANCHMSA-N 412.515 1.882 30 10 HDEE C=CCN(CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1)C1CC1 1559676395 HIJOLKVHLSAPCY-UHFFFAOYSA-N 407.536 1.921 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1562173182 ZHDHDFJCMMLUEK-OAHLLOKOSA-N 409.508 1.766 30 10 HDEE COc1cc(CNC(=O)NC[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)ccc1C#N 1564714216 PCIHROMPDXSKKE-FQEVSTJZSA-N 404.467 1.738 30 10 HDEE Cc1[nH]c2ccccc2c1SCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1565497172 DHHUYBXTXFURSJ-UHFFFAOYSA-N 424.486 1.969 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@]2(OCCO)CCOC2)C1 1584112359 ARNWESJJUAKPJK-GOSISDBHSA-N 424.295 1.041 30 10 HDEE C#CCN(CC(=O)N1CCN(c2ccc(OCC)nn2)CC1)C(=O)OC(C)(C)C 1585401289 IKPBTQRBCITBRA-UHFFFAOYSA-N 403.483 1.394 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(F)cn1 1587600076 UJRDTOXUJWSEAB-AWEZNQCLSA-N 403.425 1.961 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1587615174 RSIWIWDDMFJANL-DZGCQCFKSA-N 411.432 1.400 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NCCC 1587667216 FIDFYBUWMSGVQU-AWEZNQCLSA-N 402.524 1.644 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOCC1(C)C 1587683436 JTRMAFKOUXRDKZ-BZSNNMDCSA-N 405.543 1.571 30 10 HDEE C=CC1(CC(=O)N2CCN([C@H](C)CC(=O)OC)CC2)CN(C(=O)OC(C)(C)C)C1 1587763875 SZNXWCLVQCRPMZ-MRXNPFEDSA-N 409.527 1.895 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1 1588199633 VNNIPPSPSMOOMQ-LSDHHAIUSA-N 416.330 1.709 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1588224012 MNUPYYJUVBQKME-QTEAWJPNSA-N 423.542 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1588229109 RCDFGOKKZCTACO-OALUTQOASA-N 413.522 1.130 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1CCS(C)(=O)=O 1588253849 GSGMOESSSKBVED-UHFFFAOYSA-N 416.503 1.373 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1588459132 MUHFBGGWLXWECU-FGTMMUONSA-N 421.567 1.793 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@H]1CC(=O)N(CCOC)C1 1589192379 RNCGZJFQGULNOA-HTAPYJJXSA-N 410.522 1.771 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCCN(C)S(=O)(=O)CC)CC1 1594083419 MZBMEFQOWWCFSI-UHFFFAOYSA-N 405.528 1.563 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 1595583863 HPPYSDLVHXITTI-AWEZNQCLSA-N 411.380 1.969 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCc1nc(C)no1 1614071082 FBGRYFRMTDCDCZ-QGZVFWFLSA-N 420.477 1.856 30 10 HDEE COC[C@@H](C)NC(=O)NC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1614569282 AMSMHICZMHNUNA-SNVBAGLBSA-N 408.867 1.963 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1617735749 UHCJAQYDSJFKKG-QGZVFWFLSA-N 403.508 1.603 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2cnnn2C)cc1OC 1619190019 BEAGBHGZEUIREX-LJQANCHMSA-N 412.429 1.581 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1)C(=O)OC 1622450610 VXGCTYVXZIGVNR-CYBMUJFWSA-N 408.398 1.765 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1 1623968925 DHGQLHGRKXBDQW-MRXNPFEDSA-N 423.473 1.720 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)c1 1624132971 KGAPDEUCQQXWEH-INIZCTEOSA-N 406.504 1.193 30 10 HDEE C[C@@H]1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1CNC(=O)OC(C)(C)C 1625826944 QILMSECBYKYZAN-YPWSZFOLSA-N 420.510 1.912 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)Nc1ccc(Br)c(C#N)n1 1626727564 DCOVMARPLDESTR-UHFFFAOYSA-N 403.200 1.111 30 10 HDEE CCc1nc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 1628392248 DXHHAXQKGGZGHT-UHFFFAOYSA-N 404.496 1.282 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2O)n(C)c(=O)n3C)c1 1629057171 JIGPHBXZNNGENV-UHFFFAOYSA-N 413.455 1.632 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@]1(C)COc2ccccc2O1)c1cc[nH]n1 1630344553 QPPFTOTZFPFCGJ-IBGZPJMESA-N 402.407 1.040 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(Oc3ncc(C)cn3)CC2)cc1 1631633340 WFEWQHYNZMJZEH-UHFFFAOYSA-N 416.503 1.933 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCN1CC(F)(F)F 1632204933 ACXPFIYJRROKHN-LLVKDONJSA-N 407.389 1.832 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C)s1 1634348814 JIUJAURYJNLFSX-LBPRGKRZSA-N 401.554 1.517 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(OC2CN(C(=O)OC(C)(C)C)C2)CC1)[C@@H]1CCCO1 1634470429 TUDYFLKWRMDVET-MSOLQXFVSA-N 407.511 1.977 30 10 HDEE C=CCC[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 1636816826 QITSRLFOOYRERP-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1638208001 IICLWWPGMOCGDL-CQSZACIVSA-N 418.441 1.553 30 10 HDEE CCO[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CN(C)C 1645024410 BTGJAZKNQRAODF-CXIVCQEWSA-N 408.543 1.856 30 10 HDEE C=CCCn1cc(C(=O)N[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)nn1 1645335849 SEDLYIZGODGTEC-CQSZACIVSA-N 413.482 1.872 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN4CCOC[C@@]4(CO)C3)c2)cc1 1647080361 GBTNHCQSHBCGAC-QHCPKHFHSA-N 407.470 1.656 30 10 HDEE C#CC[C@H](COC)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1648130072 BXNITYULBNJBGQ-OAHLLOKOSA-N 413.515 1.903 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@H](O)CC[C@H]3C)nnc12 1651134759 QDAOHZGCXJXOGX-ZIAGYGMSSA-N 413.503 1.694 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)[C@@H]1CCCO1 1655040581 KRSJNORHKVIFLY-NEPJUHHUSA-N 405.245 1.146 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2sc(-c3ccccc3)nc2C)CC1 1660139766 YPPXDEBUEOMWIV-UHFFFAOYSA-N 419.532 1.736 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1663801903 SEXVLKNSARVCEZ-OALUTQOASA-N 406.504 1.699 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 1671458793 GNBTVFBICSDFOP-VQTJNVASSA-N 419.547 1.662 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)C2)nc1 1683727755 OODSMSFCXFSMBW-OAHLLOKOSA-N 409.450 1.337 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1686634050 IWEFFAXOHFSMGO-ROUUACIJSA-N 417.554 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1689851817 VWAPQXKKDXZZSL-MLHJIOFPSA-N 421.567 1.444 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CC1(NC(=O)OC(C)(C)C)COC1 1689963035 YEDWPJTWROPUJY-OAHLLOKOSA-N 405.499 1.883 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CC1(CS(C)(=O)=O)CC1 1689972351 LZLJUQZIDGMTKC-UHFFFAOYSA-N 402.520 1.794 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(Br)n1 1689998122 BWIOYBPUJGSBOG-UHFFFAOYSA-N 415.295 1.695 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](COC)OC 1690015417 MAAFSXFUQLJLRO-HNNXBMFYSA-N 406.446 1.328 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@H]2CCC(=O)N2)CC1 1690132547 SLRBBTLJXBULDX-LJQANCHMSA-N 422.533 1.508 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2nccs2)CC1 1690143029 ZIKWCZHUZORKEA-UHFFFAOYSA-N 409.519 1.754 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC)C1 1690190344 RUSUVVNTCMENNE-GPMSIDNRSA-N 408.572 1.222 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690339971 AOFWQCHWXKGJII-UHFFFAOYSA-N 415.885 1.020 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1690372377 LBZQHYJFUSAPRE-OALUTQOASA-N 415.586 1.659 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690660642 LXKZHGQCMZFOFI-QZTJIDSGSA-N 423.521 1.336 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2cnccc2OC)C1 1690709703 KDRJKLJWSGNLAV-QGZVFWFLSA-N 412.494 1.634 30 10 HDEE Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693495903 QIYHVAZNTGHANA-LGCYAQKOSA-N 414.510 1.756 30 10 HDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1693662833 BHQXNIAPSWNZBK-WCXIOVBPSA-N 401.515 1.078 30 10 HDEE CNC(=O)CCCN(C)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1696985520 PCSXUWXKZNQBLI-ZPHPHTNESA-N 415.498 1.034 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1697922423 HAXUZOBPEMIVIK-APWZRJJASA-N 416.438 1.370 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1705567134 UWBSXAHZNVQOOC-MRXNPFEDSA-N 414.466 1.482 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](CC)N1CCCC1 1705621194 VLMVEDKHOWKWIL-SFHVURJKSA-N 402.543 1.475 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)[C@H](C)C1 1705660423 VIMRZSIDDNFTND-MSOLQXFVSA-N 407.584 1.695 30 10 HDEE C=C(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705721798 ZTZYUCRIRQNYLY-QLFBSQMISA-N 411.528 1.289 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1705830898 XRJBGGOBVCBCPK-VQIMIIECSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(c2nc(CC)ns2)CC1 1705904413 OOFJVHWQVDPSGR-UHFFFAOYSA-N 418.571 1.519 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705947349 IODZAMBTYNEGQT-QGZVFWFLSA-N 413.551 1.739 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1706852201 ANLUMKORJDBYPV-CABCVRRESA-N 419.555 1.346 30 10 HDEE CCN(CC)C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1710053572 BNDCMUPMTIXSIS-KRWDZBQOSA-N 420.525 1.557 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ncc(Cl)n1C 1711397140 DYFNIEWDAMXUQW-UHFFFAOYSA-N 412.885 1.976 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1711456633 XRHYLSZOODTZCM-JKSUJKDBSA-N 424.461 1.007 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCN1CCOCC1(C)C 1712625365 UQJBBTYAXKQCEB-BZSNNMDCSA-N 420.558 1.709 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)CC1 1722306096 GUPXACKOONSTTK-UHFFFAOYSA-N 402.543 1.521 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)N(C)C)CC1 1722440565 AXQXWXBQOOHFQJ-GOSISDBHSA-N 412.538 1.571 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1722483980 IXXSCZYUQKRBTK-RDBSUJKOSA-N 409.332 1.811 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCC(OCC(N)=O)CC1 1722498431 ADMZAIJEXJBNIP-SUMDDJOVSA-N 419.526 1.582 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1722616933 DIHBMWAEPDAXAS-IAGOWNOFSA-N 412.556 1.777 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1)C1CC1 1722650809 LNSAQVLRGQXNRA-AWEZNQCLSA-N 406.512 1.659 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1722673743 CFMXKVVIVJLCQU-KRWDZBQOSA-N 419.526 1.696 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722688540 FNAYOXLFJNVVHW-XYPHTWIQSA-N 417.441 1.421 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(Cc2ccc(C#N)cc2)CC1 1722700198 ZWJAKEWBLOEMFP-UHFFFAOYSA-N 407.522 1.727 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCCO[C@H](C)C1 1722865389 FNRRXNBQTOVWDT-IAGOWNOFSA-N 400.531 1.775 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CC1 1729728528 GWOGBVFPLABAIC-UHFFFAOYSA-N 411.510 1.831 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@](C)(O)C2CC2)CC1 1729793004 AHVVKSILGIYSNM-NRFANRHFSA-N 410.478 1.866 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1740556812 JOTQVMDNIXUPST-CYBMUJFWSA-N 420.395 1.865 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740617409 QQPKWCCYGQSERF-KGLIPLIRSA-N 404.483 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C1CCCCC1)N(C)C 1740641312 HDUAFDAHVCKDOX-FQEVSTJZSA-N 410.566 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1740663305 FZJWQIPDHBPUHN-FXAWDEMLSA-N 424.567 1.603 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](COC)OC 1740677243 RWZKJXOQBKWKCB-ROUUACIJSA-N 415.469 1.670 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@]2(O)CCOC2)C1 1740981274 MXWHHCADFKTLRO-AVRDEDQJSA-N 414.506 1.810 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 1740987246 QQNXMYPDSUCAMN-OAHLLOKOSA-N 413.544 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCN(C)C1 1748648866 FYRYKPIXGGKNGJ-AOMKIAJQSA-N 405.506 1.860 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749187721 ZVXOMWPAZZQAGR-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 1749689683 JAAOYHJROGKZTB-CVEARBPZSA-N 410.478 1.154 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749753932 CRTRTJIKGDJELG-MRXNPFEDSA-N 414.535 1.884 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC1 1751280613 BDHBNSLBRNFAEK-GFCCVEGCSA-N 400.405 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNC(=O)c1cc[nH]n1 1760103382 DTIGUAHHYKTKQC-ZDUSSCGKSA-N 408.422 1.464 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCS(=O)(=O)C1 1760107313 NOGPHVNWWBGTCA-CABCVRRESA-N 416.503 1.609 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760186326 MERUFJIRSNMHAH-GJZGRUSLSA-N 400.520 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1(C(=O)N(C)C)CCCC1 1760217255 VOIIVWJOHCPLRK-UHFFFAOYSA-N 405.506 1.847 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccc(F)cc2)CC1 1760260905 HFVJMTRSPBRZNZ-UHFFFAOYSA-N 410.497 1.538 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)CC1 1760386949 BIZFYGFOTIESQA-CQSZACIVSA-N 400.508 1.877 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)C1 1760594126 ARSAGVWYVRJYLU-QZTJIDSGSA-N 414.535 1.918 30 10 HDEE CC(C)C(=O)NCCn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1760855645 OPJZTUMUXGPRPB-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCO[C@H]1C 1761020873 TZAJIGLQTVRKMN-QKKBWIMNSA-N 412.494 1.551 30 10 HDEE Cc1ccc(CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)o1 1761771479 PYJINXBUKZSYEQ-ZDUSSCGKSA-N 418.479 1.939 30 10 HDEE CCCN(CC)c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1765955842 RYIQLLIGGSQGGW-FBMGVBCBSA-N 415.498 1.277 30 10 HDEE CCOCc1nnc(N2CCC[C@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1767886431 PJWNFFJBHJFDJY-MJWGMMHASA-N 418.498 1.204 30 10 HDEE COC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1767984961 GVDJMXGWIFILAJ-UHFFFAOYSA-N 419.507 1.389 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1768797023 ZIACTQOOWMIBTM-BQASMSSTSA-N 416.526 1.965 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1769454370 WTZKJLDJDYNTNK-RDJZCZTQSA-N 423.477 1.278 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1771532560 FSXYJKXJDDUWCY-KXBFYZLASA-N 414.466 1.693 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@@H]2CCCO2)cc1 1771533337 IGRZCOFFDYPNDJ-IBGZPJMESA-N 424.505 1.729 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1772564648 ILTGBUNQFYOBDW-SFHVURJKSA-N 419.551 1.898 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC(=O)N2C(C)(C)C)cn1 1772791099 YXBCAMGDKQUARZ-DOTOQJQBSA-N 410.430 1.863 30 10 HDEE CN1CCN(CCON=C(N)c2nnn(-c3ccccc3)c2-c2ccncc2)CC1 1848552028 SPCZBJIYOHKCIS-UHFFFAOYSA-N 406.494 1.214 30 10 HDEE C=CCN(C(=O)[C@H](C)NS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCN(C)C1=O 1848977573 TVKAYXZJLPOOSR-ROUUACIJSA-N 421.563 1.832 30 10 HDEE C=C1C[C@H]1COC(=O)CN1N=C(c2nc(-c3ccc4c(c3)OCO4)no2)CCC1=O 1850735587 DSQKOAABJLNEMR-ZDUSSCGKSA-N 410.386 1.911 30 10 HDEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)nc1 1851600889 OEMJPFGLHNNDDM-UHFFFAOYSA-N 419.420 1.708 30 10 HDEE COc1ncc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)c(C)n1 1852959088 NLBSNUUIFCCAHC-SFHVURJKSA-N 412.446 1.602 30 10 HDEE COc1ccc(S(=O)(=O)C2CCN([C@@H]3CCCN(C(=O)CC#N)C3=O)CC2)cc1 1853726087 SRCBIECNOJXSSG-GOSISDBHSA-N 419.503 1.365 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@H]3CCCOC3)C3(CCCCC3)C2=O)CC1=O 1854006795 AADDRSLPZVWCHT-RTBURBONSA-N 417.550 1.821 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(N(C)C)ccn2)C1=O 1854059431 KNNPPAVDUPSSBG-OALUTQOASA-N 413.522 1.388 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1 1854621400 AAOWIRXLKUCMBB-GOSISDBHSA-N 405.520 1.395 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)[C@@H]3CCC(=O)N3c3ccccn3)C2=O)CC1 1855597838 KYJGOURWRKNGLM-ROUUACIJSA-N 409.490 1.720 30 10 HDEE CN1CCN(C[C@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCC1=O 1856107292 TYOWHOLDEOWRCH-OAHLLOKOSA-N 402.882 1.559 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CN2CCCCC2)C1=O 1857066754 SCXWVPBSGVYLDE-HNNXBMFYSA-N 404.492 1.342 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cc3ccccc3n2C)C1)[C@H]1CCN(C)C1=O 1857263280 FGUHXWIULQEXMM-APWZRJJASA-N 408.502 1.886 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCc4nc(C)sc4C3)CC2=O)CC1=O 1857305297 FAVUAMRTEBDOPV-CABCVRRESA-N 402.520 1.219 30 10 HDEE CCc1ocnc1C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O 1857464792 GUBYPXYOJVEQBT-CQSZACIVSA-N 409.446 1.646 30 10 HDEE N#CCC(=O)OCCSCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1857492145 IUIIBJUOUCYAPR-UHFFFAOYSA-N 416.425 1.939 30 10 HDEE C=CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 1858965931 VCRGGKCUZZQWQA-UHFFFAOYSA-N 418.427 1.946 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](CCSC)NC(=O)CC[C@H]1CCS(=O)(=O)C1 1868819456 HZKBNGIEVLTOHP-HOTGVXAUSA-N 402.582 1.640 30 10 HDEE COCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C(C)=O)CC1 1870347828 VIIVFFJHNJZZME-UHFFFAOYSA-N 424.501 1.609 30 10 HDEE C=CCn1cc(OCC(=O)OC(C)(C)C)c(=O)cc1CN1CCC(C(N)=O)CC1 1870445088 PRDRACSXOJUPMX-UHFFFAOYSA-N 405.495 1.452 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCN(C)C)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871537075 VANSFKLXLHTGGV-UHFFFAOYSA-N 411.510 1.730 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCCCCCO)ncnc21 1875228754 CHPQGNDNQVVYRB-UHFFFAOYSA-N 414.510 1.496 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)C[C@@H](O)CN(C)C(=O)OC(C)(C)C 1962344442 CMENRQUQMYQMKS-NSHDSACASA-N 401.323 1.384 30 10 HDEE C#CCOC1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1962767470 JDSFOYDNCRXSHG-UHFFFAOYSA-N 404.488 1.507 30 10 HDEE COC[C@H](C)NC(=NC[C@@H]1CCC2(COC2)O1)N1CCN(c2cccc(F)n2)CC1 2087918047 NSTJCIKZBMGVSD-IRXDYDNUSA-N 421.517 1.271 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2118162275 IFJRXNFKNSVLHC-XELLLNAOSA-N 400.482 1.407 30 10 HDEE COC(=O)[C@@H](C1CC1)S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2167095074 MTDSYVOPEWVKSF-LLVKDONJSA-N 402.303 1.136 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NS(=O)(=O)CC2(C#N)CCCCC2)C1 2183269018 IWEOFUYFMJQSPN-CABCVRRESA-N 401.529 1.750 30 10 HDEE Cc1cc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)oc1B1OC(C)(C)C(C)(C)O1 2243383645 ALKCFUSGGIGOLE-UHFFFAOYSA-N 402.178 1.390 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247830851 UDRWUZZWPUOHSG-CYBMUJFWSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCO)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248439600 ARTVYLPUUYLRNJ-CQSZACIVSA-N 421.303 1.595 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258165442 GYZMNDHKBATFMZ-DOTOQJQBSA-N 408.476 1.129 30 10 HDEE C[C@@H]1NCC[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267353748 MSYKDQUOYFHTTL-ONGXEEELSA-N 406.766 1.729 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCCNC3)cc2Cl)OC1(C)C 2267355410 GYDWUOKPCGEXKO-SNVBAGLBSA-N 406.766 1.731 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1ccc(C#N)nc1)NC(=O)OCc1ccccc1 2270506493 BKBDXYYLLZTXFK-INIZCTEOSA-N 418.431 1.163 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CCS(=O)(=O)N3)c2Cl)OC1(C)C 2281932243 JQVOTDAKNBNDOE-SECBINFHSA-N 420.749 1.122 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CNC[C@@H]4C3)cc2Cl)OC1(C)C 2282305090 TVGUDSJEBKOHOP-PHIMTYICSA-N 418.777 1.541 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(C)CCCNC1 2282308806 WQPFBJSQXJXJLV-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE CC[C@H]1CNCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343189 OQQGNSZOFCZYDG-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CCCN([C@@H]1CCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494022 WOFJLQWRJANOIO-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC(C)OCCCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504091 JPUBECUTHIAEBT-UHFFFAOYSA-N 404.363 1.677 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2=CCOCC2)OC1(C)C 2282504853 VOLIOJVDWHQZNQ-UHFFFAOYSA-N 400.331 1.208 30 10 HDEE C=CCO[C@H](C)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282832811 RVGPZAIGNXDOAN-GFCCVEGCSA-N 402.347 1.453 30 10 HDEE C[C@@H]1OCC[C@]1(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835076 PELKGZPTNYIUJA-ZBEGNZNMSA-N 402.347 1.429 30 10 HDEE C[C@@H]1NCCC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282842656 AZAXUFUBOKMGLG-GXTWGEPZSA-N 400.375 1.607 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCO[C@@H](P(C)(C)=O)C3)ns2)OC1(C)C 2289230912 CHLWFSNOIWDSBA-ZDUSSCGKSA-N 400.246 1.864 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N[C@H](CCS)C(=O)O 2316832025 DTEKXQNNJBOQOB-SCSAIBSYSA-N 401.080 1.448 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2ccc(O)cc2O)CC1=O 2329056575 DSOKGKVIMVNIID-ZDUSSCGKSA-N 405.480 1.380 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336245561 JHKJMGCEPPPXQI-CABCVRRESA-N 402.582 1.898 30 10 HDEE Cn1nc(Br)c(=Nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[nH]1 2343013017 AYXCMDZLZLLIGB-UHFFFAOYSA-N 404.077 1.914 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360571904 MXUJULYJEQCRHR-JTQLQIEISA-N 402.218 1.248 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2363704739 VAYLCJHGMDKVGN-HUUCEWRRSA-N 413.565 1.815 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2365196764 PVLUSLCCGPNBEB-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365202523 FJZRVBHNZNVPAM-OALUTQOASA-N 401.525 1.828 30 10 HDEE C[C@@H]1CC[C@H]([C@H](NC(=O)OC(C)(C)C)[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367791987 KVXFHNSOGUUFJZ-QKPAOTATSA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCOCC[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367799818 DOPWESMDKFISTD-BZUAXINKSA-N 401.525 1.638 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H]1CNC[C@H]1F 2369653524 AYWQFCHVZYNYIH-VXGBXAGGSA-N 404.338 1.286 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@](C)(C(=O)O)[C@H]1CCN1C(=O)OC(C)(C)C 2375784045 GTJMXUAGHQKXDV-HBUWYVDXSA-N 402.513 1.514 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCN3C(=O)c4ccccc4C3=O)cc2C1=O 3507712 KKMXMXPHYKVZEH-UHFFFAOYSA-N 404.378 1.922 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1 17853977 VKDDSBGIFSPSMJ-ZDUSSCGKSA-N 423.516 1.289 30 10 HDEE C#CCOC[C@H](O)CN(CCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 36156842 VKMDMQUHNVTFIT-CQSZACIVSA-N 405.520 1.323 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 109016029 LALCNKOGARDVEZ-LJQANCHMSA-N 402.514 1.484 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c(C#N)c(C)n1 301770650 IZXVKBHLVJGHOL-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3cccc(C#N)c3)cc2)CCN1CCO 427438162 CYLYIBRQSKYGBB-MRXNPFEDSA-N 408.458 1.814 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)cc1 428002162 VRINTPMDZVBDGF-GTWBNLFZSA-N 412.511 1.098 30 10 HDEE CC(C)n1cc(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)nn1 429678575 FVNQUMSWIJEQSB-INIZCTEOSA-N 406.450 1.766 30 10 HDEE CCn1c(=O)c(C(=O)CN2CCCC(C)(C)[C@H]2C#N)c(N)n(Cc2ccccc2)c1=O 444722579 ZCIAGVRLYSTEFY-GOSISDBHSA-N 423.517 1.857 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(C)OC[C@@H]1C 460382544 AMCGSOCSVUGSLX-GJZGRUSLSA-N 413.544 1.191 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCC(=O)c2ccc3c(c2)OCCO3)CC1 464482667 OXVHCNPARROSIX-UHFFFAOYSA-N 415.490 1.257 30 10 HDEE CCSCc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 471367530 VGIJBLJWPZYQBJ-UHFFFAOYSA-N 420.516 1.946 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3CCN(C(=O)c4ccccc4)CC3)CC2)c1C#N 471713875 OLUVCYQWSVLJDJ-UHFFFAOYSA-N 420.517 1.801 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)ccc1F 473453393 IAJQJGNDSKLREE-IAGOWNOFSA-N 417.418 1.402 30 10 HDEE COc1cccc([C@@H]2[C@H](C(=O)N3CCN(C(=O)CC#N)CC3)CC(=O)N2C2CC2)c1 503628262 MABSHRVRVVTBPB-WIYYLYMNSA-N 410.474 1.332 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ncccc2C#N)CC1 532758377 LIETYOQMUPDOHC-SIKLNZKXSA-N 418.545 1.854 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 532894262 JWBHWFOSFKHQBD-LJQANCHMSA-N 424.549 1.736 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)Cn2nc(C(C)(C)C)c(CCC#N)c2O)C1 534632641 IHDMXDFZAPLPFA-MRXNPFEDSA-N 405.543 1.815 30 10 HDEE COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 536140682 ICYAUFRSEKEPNC-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@@H](C)n1cnc(C#N)n1 540604314 HPONOAPHTCBVKZ-DOMZBBRYSA-N 413.434 1.417 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2C[C@H]2CCCO2)cc1 549889348 CVQFCJKWTNFXCX-PKOBYXMFSA-N 422.489 1.719 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)cnn2C)c1=O 560425905 IKYRHXKMUKNPJA-UHFFFAOYSA-N 414.531 1.251 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1CN1CCCN(Cc2ccc(C#N)cc2)CC1 569751322 LYFMUDXZGWYRDA-UHFFFAOYSA-N 402.524 1.117 30 10 HDEE C=CCN(CC=C)C(=O)N1CCC(NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 585954613 MPXBOPGVJJMSFL-UHFFFAOYSA-N 410.474 1.657 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)[C@@H](C)C(=O)OCCOC)cc21 586311884 BIJJBGZUZDRTKF-SHSSRLJWSA-N 423.487 1.496 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(OCc3ncnn3C)cc2)ccc1C#N 589295010 FSNMNWFNZDRBID-UHFFFAOYSA-N 413.459 1.753 30 10 HDEE COc1cc(CNC(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)ccc1C#N 589637598 XUMMNFXMXOJMRF-HXUWFJFHSA-N 418.457 1.906 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 603549361 WYLYNLCPZPYNMW-UHFFFAOYSA-N 404.518 1.420 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccccc3C#N)c2=O)o1 604001765 REXCHVVXPAEMKJ-UHFFFAOYSA-N 416.462 1.454 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccccc2C(C)(C)C)CC1 604195364 YXMJXSOVKLLBFD-UHFFFAOYSA-N 402.539 1.992 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@H](S(=O)(=O)Nc2ccccc2)C1 619712976 DXZJAOVCMUJFMD-ZBFHGGJFSA-N 400.526 1.229 30 10 HDEE C#CCN(C[C@@H](C[C@@H]1CCN(S(C)(=O)=O)C1)NCCC)C(=O)OC(C)(C)C 691252455 BVVMNQOYFKHRLK-DLBZAZTESA-N 401.573 1.897 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 729331996 SNAIOLMVIDUODZ-FUHWJXTLSA-N 403.504 1.579 30 10 HDEE COCCN(CC(=O)N1CCN(c2ncccc2C#N)CC1)C(=O)OC(C)(C)C 733950631 XYOKWFWXHZJOLK-UHFFFAOYSA-N 403.483 1.485 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1C(F)(F)F 740524760 FEYBXNKYMDRGBG-YOGCLGLASA-N 416.377 1.624 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Cc3cccc(C#N)c3)ncnc1-2 749381158 BDJVMKKTVUCDRP-UHFFFAOYSA-N 414.267 1.142 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N(C)CCN2CCCS2(=O)=O)ccc1OC 752967847 UVRPZMOPUXPFOX-MRXNPFEDSA-N 424.523 1.553 30 10 HDEE COc1c(Br)cc(Br)cc1C=NNC1=NC(=O)C(=O)N1 765590832 CPGQMFRTYCTNHU-UHFFFAOYSA-N 404.018 1.156 30 10 HDEE C#C[C@H](C)N(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 767254422 IAYDKCKBUFCGKC-NSHDSACASA-N 401.282 1.283 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 767679308 HQUJKCJIUYXEET-CYBMUJFWSA-N 402.428 1.660 30 10 HDEE CCN(C)C(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 774261483 ACUSUNXBSHYXFA-MRXNPFEDSA-N 419.551 1.164 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)OC(=O)[C@H](O)c1ccc(C#N)cc1 780205140 LMIFPBVIDDRBBI-FOIQADDNSA-N 409.442 1.895 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCCC3)n(C[C@@H]3CCCO3)c2=O)cn1 781648450 HDNHVABWMUKITJ-INIZCTEOSA-N 412.515 1.085 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 784120114 YEGBNJRHRVHRCJ-SFHVURJKSA-N 416.547 1.644 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(OC)c(C#N)c1 784755354 RZBKRSAIKSMHGZ-UHFFFAOYSA-N 408.414 1.719 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)c3ccccc3)CC2)n1 788853264 NOYSRHGTYPYIGO-UHFFFAOYSA-N 423.517 1.979 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)c1 793039686 AOLNYAYAUFYWEO-UHFFFAOYSA-N 422.416 1.129 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)Cn2c(-c3cscn3)nc3ccccc32)CC1 793203851 HNHCVIDZURWGFX-UHFFFAOYSA-N 401.473 1.910 30 10 HDEE COc1ccc(OC)c([C@H](C)NC(=O)[C@H](C)OC(=O)[C@H](C)n2cnc(C#N)n2)c1 798741447 QJWLAAXNLACGQJ-AVGNSLFASA-N 401.423 1.537 30 10 HDEE COCCn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccc2C#N)CC1 802422671 FQEHQDXBHWTHRZ-UHFFFAOYSA-N 404.478 1.888 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCCC2)C1 802568779 MCSQJYOYLPBCOM-MRXNPFEDSA-N 409.556 1.958 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 802603646 XFVYLAGQESFKLP-NRFANRHFSA-N 412.494 1.982 30 10 HDEE C=C(COC(=O)C1(S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 803967220 BEVCQDGOOYBXDM-UHFFFAOYSA-N 419.496 1.463 30 10 HDEE Cc1nnc(NC(=O)CSc2nnc(NN=Cc3cnn(C(C)C)c3)n2N)s1 1084478555 MUEAXAOBPUJRNF-UHFFFAOYSA-N 421.516 1.106 30 10 HDEE NC[C@@H]1CCC[C@@H](C/N=C(/Nc2ccc3c(c2)OCO3)N2CCN(CCO)CC2)C1 1088703236 OAUGAFAPBLGQTG-QZTJIDSGSA-N 417.554 1.558 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1124299697 XEGXLKITENVNIZ-QGZVFWFLSA-N 413.927 1.644 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Cc1cccc(OC)c1)n1nnnc1C 1130824322 IDMYGTSPLCLARG-SFHVURJKSA-N 413.478 1.577 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2)o1 1131524054 SGXLGBLXBVRFJP-GOSISDBHSA-N 414.487 1.857 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)CCc1ccc(C#N)cc1)CCS2(=O)=O 1134859534 SLXHHKKVXZLYCF-GNZRSQJKSA-N 404.488 1.506 30 10 HDEE CC#CC[C@H](CO)NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccco1 1144923970 ZDDHWUAGGFKSGY-MRXNPFEDSA-N 411.487 1.964 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(CN(CC)C(C)C)cc2)CC1 1152967814 QQEQLFRDYHRZSU-UHFFFAOYSA-N 406.552 1.142 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(=O)(=O)CCC)CC1 1156163975 ICKGVHPRIHAQTB-INIZCTEOSA-N 415.556 1.614 30 10 HDEE CN(C)CC(C)(C)CNC(=O)C1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1167468403 QVRJUGMURYHLQG-IBGZPJMESA-N 408.587 1.474 30 10 HDEE N#Cc1cn(CCNC(=O)c2c[nH]c3cccc(Br)c23)c(=O)nc1O 1167523780 SDCSEJKABQNYJI-UHFFFAOYSA-N 402.208 1.494 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCS[C@H](C(F)(F)F)C3)CC2)o1 1197825869 FULZVWMXTOTMIP-ZDUSSCGKSA-N 403.430 1.483 30 10 HDEE Cc1csc(NC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c1C#N 1217531822 COIPVFFYKSDWNZ-UHFFFAOYSA-N 403.508 1.896 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3cccc(Br)c3)C2)c(=O)nc1O 1229781775 PLOCLQQGWCDINB-UHFFFAOYSA-N 418.251 1.392 30 10 HDEE C#C[C@@H](NC(=O)NC[C@]12COCCN1C(=O)OC2)c1ccc(Br)cc1 1230499619 ZSWDGXXYONDWSY-RHSMWYFYSA-N 408.252 1.644 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCC[C@@H]1C(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1 1230546876 WCYMOINBKBEHPN-DLBZAZTESA-N 406.527 1.945 30 10 HDEE C[C@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C(=O)N1c1cnn(C)c1 1265562967 YYCXNXRDJBGLTK-MEDUHNTESA-N 416.279 1.907 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(C)c1ccccc1 1286359994 AYXXTLLNJGMBMY-HZPDHXFCSA-N 404.540 1.483 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(OC)CCC1)[C@H]1CCS(=O)(=O)C1 1286398800 PSCWJGCULXBEHX-DLBZAZTESA-N 422.551 1.716 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccccn2)C1 1286809248 HQLBIOCSWNXXOY-FUHWJXTLSA-N 417.535 1.599 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1286831811 DEJUCBKUQNUXKE-HZPDHXFCSA-N 406.556 1.647 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@]12COCCN1C(=O)OC2 1288026064 NWQWTUNPUFUNDI-MRXNPFEDSA-N 410.224 1.037 30 10 HDEE Cc1c(C(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cnn1CCC#N 1288265658 AXFBHZDITRPQTG-JOCHJYFZSA-N 407.474 1.749 30 10 HDEE C[C@@H]1CCCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1291092314 GOVXKTCUMUMXAV-UDJKBAMHSA-N 424.509 1.831 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1291876233 AYOOSUVJPORHRH-TWGQIWQCSA-N 419.453 1.604 30 10 HDEE C[C@@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)N1CCN(C)CC1 1292969006 ZPMUAIRPRFNMOU-KAIODVNGSA-N 419.570 1.525 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3ccc(Br)cc3N)CC2)c1C#N 1296472743 WZHFCNQHCJXWIB-UHFFFAOYSA-N 403.284 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300286203 FUKDHMLBIUNZPP-YVEFUNNKSA-N 409.899 1.001 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC1CCN(C(=O)OC)CC1 1300431155 DOSRKALCUZOAIM-FQEVSTJZSA-N 405.499 1.478 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1Cc1ccc(C(N)=O)nc1 1300564537 DXJQBAFLRBBCRQ-UHFFFAOYSA-N 419.876 1.999 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1300595528 DGNIXUXLOQZPBG-UHFFFAOYSA-N 411.510 1.156 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1300888113 HYCQPQPFUNKOKN-CRAIPNDOSA-N 411.572 1.682 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1301251894 IVTQSYVGULQUFM-QGZVFWFLSA-N 404.515 1.269 30 10 HDEE C=CCN(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccccc1 1301285784 DWXNJMVOZMTNJB-UHFFFAOYSA-N 400.508 1.884 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)[C@@H](C)CC(N)=O 1301503186 VFTRIAILPYVVTN-LBPRGKRZSA-N 406.437 1.149 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCc2cnn(C)n2)C1 1301558440 VQBWWOAXEVTMPQ-SJLPKXTDSA-N 401.515 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)Cc1cnn(C)c1 1301578133 SJHFXOKRGNROGO-UHFFFAOYSA-N 400.508 1.916 30 10 HDEE COCCOC[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1302193981 IEYJXLFHMPXQEC-YOEHRIQHSA-N 414.466 1.231 30 10 HDEE C[C@@](CO)(Cc1ccc(Cl)cc1)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1302646209 FVHMGYPRMKVADX-IBGZPJMESA-N 421.906 1.488 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@@H]1CCOC1 1302954276 JYBNPDKNVVIDLD-RTBURBONSA-N 402.543 1.849 30 10 HDEE Cc1ccc(C(=O)N(C)CCc2ccc3c(c2)OCO3)cc1S(=O)(=O)NCC#N 1303697729 HSJZQSKPVPWJDF-UHFFFAOYSA-N 415.471 1.840 30 10 HDEE C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@H]1CCO 1308094900 SUSSPENNKKNRNG-LSDHHAIUSA-N 411.549 1.501 30 10 HDEE C[C@]1(C#N)CN(C(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CCO1 1312606952 CPOJLCTZIBOVLO-PBHICJAKSA-N 407.268 1.878 30 10 HDEE N#CC1(CNC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)CCOCC1 1313406081 ZOCYRSUBKQTLHE-UHFFFAOYSA-N 414.510 1.523 30 10 HDEE CCCNC(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1313483102 DZEGKUKDELZMBM-QGZVFWFLSA-N 412.494 1.523 30 10 HDEE CCN(CC)[C@@H](C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1313666902 YPDQZBYUCXDPIA-FJIDUMEYSA-N 406.531 1.461 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1nccs1 1316208564 FPPDFOBDMYEHPE-GJZGRUSLSA-N 406.512 1.820 30 10 HDEE CSC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1316398424 BAXGHLOWGXLVQP-AWEZNQCLSA-N 413.507 1.940 30 10 HDEE C[C@@H](CC#N)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 1354825890 WJILIPTWYBOKKL-LBPRGKRZSA-N 400.298 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1358871533 GVTMBFZFVAPVQQ-HOTGVXAUSA-N 419.551 1.906 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1359307972 ZGJDDHWUZLFDGX-YJBOKZPZSA-N 424.505 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccnc2OCC)C1 1359320857 WMJQJFXUWDGJEY-SJORKVTESA-N 412.494 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359331982 LRWSHHPRLJXPHI-UHFFFAOYSA-N 420.539 1.375 30 10 HDEE Cc1c(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)cnn1C 1360930269 IVADRFVULXAMEM-ZPHPHTNESA-N 412.498 1.606 30 10 HDEE C#Cc1cncc(C(=O)N[C@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)c1 1436061703 ZDIBGPCTUYMIBX-FQEVSTJZSA-N 400.456 1.675 30 10 HDEE Cc1c(Br)cc(F)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439805314 YZTQVQVWLKKIKY-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCC#CCO)cc1 1448443761 VXBJOUHQUCBJLA-UHFFFAOYSA-N 404.400 1.396 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)cc1)C2 1462359115 YBNIFGGDWIMRFN-IBGZPJMESA-N 411.483 1.476 30 10 HDEE CN(CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)S(C)(=O)=O 1463148385 GSOTWFQPEIFJDN-RNFRBKRXSA-N 418.306 1.507 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 1464968677 MKLLBNXUMWMTSM-LAIHZFQQSA-N 405.520 1.905 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 1465334155 YFAMMCMIVQIFJU-QIDKZVQTSA-N 417.535 1.719 30 10 HDEE COC(=O)Cc1nc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]1 1465361109 HSDYEUQZTUZROP-UHFFFAOYSA-N 419.239 1.229 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 1466063457 AWPUFOANETWBHN-HNNXBMFYSA-N 412.494 1.953 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)c1 1467503760 LISNDBDTMSVUQZ-GUYCJALGSA-N 410.467 1.420 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1S(=O)(=O)NCC#N 1468116418 MQMOQWXXXZGTMA-NVXWUHKLSA-N 417.491 1.181 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)cc1 1468149270 YHWJEOBOCFCBIA-UHFFFAOYSA-N 405.398 1.345 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NC1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1468751840 XEUMEACISOSLOF-KRWDZBQOSA-N 405.495 1.935 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1468751978 IOTWPWKQZLJNIR-QGZVFWFLSA-N 404.536 1.178 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C2)C1 1469665455 XPAGHHAOQVKZIP-DGZZAILSSA-N 404.511 1.051 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)C2=O 1469871882 HOFFGTYMISLZIV-OLMRKFRDSA-N 412.490 1.797 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCC1 1472192016 QPJWVPGPEGTOPO-IFXJQAMLSA-N 411.524 1.468 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC 1472228535 QZKPDYKDABPRDI-KBPBESRZSA-N 418.512 1.035 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1475378311 LOQMKYRQQOHVLV-ZWKOTPCHSA-N 422.503 1.520 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056423 BQRGGMNSDQKSCS-HOTGVXAUSA-N 402.432 1.679 30 10 HDEE C=C(C)CN1CCC(NC(=O)N2CCO[C@@](COC)(C(=O)OC(C)(C)C)C2)CC1 1477802071 MRLFSSVKQNBQIY-NRFANRHFSA-N 411.543 1.796 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCCC(=O)N(C)C 1494589081 BGUSGZRLCDDLDE-INIZCTEOSA-N 412.494 1.822 30 10 HDEE CCc1nc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1498452160 KBAJRZWLFKBYGH-GOSISDBHSA-N 403.487 1.910 30 10 HDEE CCc1nnc(N2CCC(C)(COC)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1498910922 LDSJBEZTMCYUAV-ZCXUNETKSA-N 402.499 1.620 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)C[C@H](C)C#N)nnc2[C@]2(OC(C)C)CCOC2)C1 1502965056 SESLSRVVKOEMNB-CCQWQLPESA-N 421.542 1.845 30 10 HDEE COCc1ccccc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1504646132 AAVMYBXGOQGIHR-MAUKXSAKSA-N 417.535 1.971 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1504711197 DXRKFKVHEDSRLH-RXVVDRJESA-N 413.478 1.474 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C2CCC1(C)CC2 1507564051 LZHGFRFFXTYCKY-OHTSDLOESA-N 421.567 1.936 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCOc1ccc(OC)cc1 1507615672 AEUUUDFIINBTNR-INIZCTEOSA-N 418.519 1.727 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1507622985 NKWITIOSHQLQJK-QGZVFWFLSA-N 416.551 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)N(C)C 1507647157 BFQGQQFFBNMDOU-UHFFFAOYSA-N 401.474 1.682 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1F 1507652932 KHKSNHYDHYIKQU-INIZCTEOSA-N 418.469 1.774 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(O)c1 1507660233 OVVBTRYWYMOSDI-OAHLLOKOSA-N 401.492 1.105 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1507845181 XQSJZBQTYGQERW-SJORKVTESA-N 412.556 1.778 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507864896 HEKGLHFTPFBKOL-OLMNPRSZSA-N 422.961 1.523 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1508734475 LOCDXSUCBGKCPA-QGZVFWFLSA-N 411.510 1.536 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1509801940 CSDBMKIFAQSACE-OAQYLSRUSA-N 416.526 1.585 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1509944271 IDCNQUAPUMMSGP-JLTOFOAXSA-N 407.482 1.820 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)CC 1512939066 PWKSVZBUBNUVGW-CYBMUJFWSA-N 418.523 1.761 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)n1 1515435492 IRCLYTNJVYGAHP-NRFANRHFSA-N 406.446 1.842 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncc(CC)s2)CCOC1 1516219942 DTNLAZJPGHXOAQ-KUHUBIRLSA-N 418.523 1.726 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccc(OCCN(C)C)cc1 1517929175 KHRKNXIDQSFEAJ-SFHVURJKSA-N 422.533 1.959 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)nn1 1524436269 XYLWMJRNBHPWTD-UHFFFAOYSA-N 411.434 1.279 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)nnc1-c1ccco1 1535068022 QYHQBCFLCAGONJ-CHWSQXEVSA-N 410.521 1.898 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1535346260 GGNZGIMTCHQVMC-CYBMUJFWSA-N 409.236 1.669 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)c2ccc(OC(=O)c3cscc3C#N)cc2)CC1 1538126616 DEWQHLMSOPKSAP-UHFFFAOYSA-N 419.484 1.556 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CSc3nnnn3CC(F)(F)F)CCO2)cc1 1538555038 DSSFQLFHVTVOPI-ZDUSSCGKSA-N 412.397 1.799 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(NC(N)=O)cc1 1539037044 AMRRKJOOHICYDN-ZVZYQTTQSA-N 412.494 1.999 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCOCC2)C1 1539052726 IOPYYZSYIOOTPT-MRXNPFEDSA-N 409.556 1.699 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](COC(C)C)C2)nnc1[C@]1(OCC)CCOC1 1539141513 VHFZBXRQKDTXTC-NQIIRXRSSA-N 406.527 1.974 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1539215618 HCVWBBVQKDQOID-INIZCTEOSA-N 402.524 1.496 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(C)=O)CC1 1539284491 PMIWFBOBRUEMMD-UHFFFAOYSA-N 410.522 1.236 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1 1539290228 CHHGQMSVEHEDOI-UHFFFAOYSA-N 421.505 1.111 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1539514324 XRNZDJAYRDWGEI-OAHLLOKOSA-N 412.523 1.142 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539520783 UILUDKTXBANEBS-HNNXBMFYSA-N 407.565 1.500 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN1CCCO 1539563993 UKRDCFNJNGHLAZ-PGRDOPGGSA-N 414.554 1.239 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539623034 ZHPUDMLFVSGYDX-KSZLIROESA-N 409.556 1.572 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N(C)CC(=O)N1CCOCC1 1539626335 CZAVFUVJCHWRDP-IEBWSBKVSA-N 403.527 1.822 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1541292610 HHOWJJOBRJTVTK-FXAWDEMLSA-N 417.535 1.847 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nnnn2-c2ccccc2)c1 1544073233 CXAJXDFCIGCUJY-UHFFFAOYSA-N 400.395 1.029 30 10 HDEE CCc1cnc(CCn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)s1 1546326197 FVICLZJPSJDYQC-GJZGRUSLSA-N 420.539 1.992 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1CC2(CCOCC2)C1 1555556685 GNKSYRLGIBSCRW-KRWDZBQOSA-N 416.526 1.802 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1557385307 AZWJFADTZXMZJB-SFHVURJKSA-N 402.495 1.603 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1560060091 FNQBPUMIRVAYKZ-LPHOPBHVSA-N 412.408 1.826 30 10 HDEE N#C[C@]12CN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1560194288 TVIMDIXZUNBTNX-XHDPSFHLSA-N 403.382 1.394 30 10 HDEE C=CCN(C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)[C@@H](C)COC 1562646405 RSSZJODHGTYBIL-HNNXBMFYSA-N 411.524 1.985 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc([N+](=O)[O-])cc2Cl)CC1 1565589999 IKNVKXQTXNTQNN-UHFFFAOYSA-N 406.870 1.465 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1568075926 BVVYITBLVCXTTH-ZJSXRUAMSA-N 409.530 1.513 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1584315120 MJCGTLBUBRNUOL-LPHOPBHVSA-N 408.520 1.803 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1587638680 GUXPNFMHJQGIBA-BDXSIMOUSA-N 415.517 1.586 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N2CC[C@@](C)(C#N)C2)c([N+](=O)[O-])c1 1587890255 YUVVIVNCNZKYHP-SFHVURJKSA-N 424.479 1.766 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H]1COCCO1 1587984659 IOFPEWVHBBMBDY-QGZVFWFLSA-N 419.526 1.877 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588064268 FCONZNHITWPRGV-SFHVURJKSA-N 420.579 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCOCC1 1588185765 LSRVJXPXIIIKSA-JOCHJYFZSA-N 415.538 1.115 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1588284598 VSKYGPJTGXHTPH-SFHVURJKSA-N 406.490 1.771 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1595179069 WYIGKHDKZMPHIF-ZDUSSCGKSA-N 421.552 1.824 30 10 HDEE N#C[C@]12CN(C(=O)Cc3cc(C(F)(F)F)cc(Cl)n3)C[C@H]1CS(=O)(=O)C2 1598568410 UNCBDPCQKZJMNP-IINYFYTJSA-N 407.801 1.693 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCN(C2CC2)C1 1620025055 MUJGCLUKFPCOCF-RYRKJORJSA-N 404.515 1.215 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)CCC1 1620615520 XRQOSMIKGWNGCQ-QHCPKHFHSA-N 410.470 1.456 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)ccc1C#N 1622144350 GNAIEJFPPNVZJR-QGZVFWFLSA-N 414.553 1.100 30 10 HDEE COC[C@@](C)(C#N)NC(=O)CN(CCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1622327913 FJNFBSALYUISQP-LJQANCHMSA-N 414.503 1.793 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O 1623568441 WEYCSAXYCQJUBC-UHFFFAOYSA-N 407.492 1.818 30 10 HDEE Cc1c[nH]c(CC(N)=O)c1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1624892325 GMEPJOCVKNGMHN-QJOMJCCJSA-N 417.491 1.416 30 10 HDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)ncc1C#N 1626716507 AZQFDEDECWUGAO-UHFFFAOYSA-N 420.539 1.921 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H](C)O)cc1)C(=O)OCC 1632067754 XCDRDYYZHFOUJY-IUODEOHRSA-N 418.899 1.150 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(Cc3ccccn3)CC2)cc1 1632651229 LBIDQJLNDIWNQH-UHFFFAOYSA-N 415.515 1.756 30 10 HDEE C=CCNC(=O)CNC(=O)[C@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1632773646 TYJFARNYYYUKCX-LJQANCHMSA-N 406.439 1.753 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1632875908 ACCXSXQMSZCCGU-TUVASFSCSA-N 408.332 1.853 30 10 HDEE C#C[C@@H](NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)OC)[C@H]1CCCO1 1633397472 LSNHWQBNBCEGTA-FGTMMUONSA-N 402.447 1.532 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCc3nnn(C4CC(C)C4)c3C2)cc1 1635674627 HSUQTIILSCRASB-UHFFFAOYSA-N 415.519 1.912 30 10 HDEE C=CCC[C@@H](NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC 1635699281 SPUCPCHDXAZSCJ-XLIONFOSSA-N 424.519 1.456 30 10 HDEE COc1ccc(N2CC[C@H](CNC(=O)N(C)CCCc3[nH]nc(N)c3C#N)C2)cc1 1636353573 DOTUQNHAXATHDL-OAHLLOKOSA-N 411.510 1.973 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)s1 1640452230 YGMIMUHMOZQWGP-HUUCEWRRSA-N 413.565 1.077 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2CNC(=O)NC)s1 1642761905 FBCOCGMONGOJJZ-ZDUSSCGKSA-N 414.553 1.065 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CCc4nnnn4CC3)C2)C1 1643034902 UAIQATKNIRQAHV-YCTJDYOESA-N 415.498 1.281 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOc2c1ccc(F)c2F 1643377373 AEEPBRCRMHGXPV-NSHDSACASA-N 407.398 1.929 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(CCC#N)CC2)C1=O 1643822478 ULMKKJIJFOTWRM-HSZRJFAPSA-N 419.485 1.665 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c(=O)nc1O 1646146926 CHGWRPNSWRYICH-RRFJBIMHSA-N 415.247 1.285 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1)C1CSC1 1647549324 OWNIAIDYTKLYIU-UHFFFAOYSA-N 421.588 1.528 30 10 HDEE Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(CC(=O)Nc1ccc(C#N)c(Cl)c1)C2 1648577189 WQUREVPYPLVIIU-HNNXBMFYSA-N 401.858 1.023 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1652166671 JQPFHTVCLSJQHT-BARDWOONSA-N 414.424 1.902 30 10 HDEE CC[C@@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(C(=O)OC(C)(C)C)C1 1653073444 ZMRVKWFEONOBNX-GDIGMMSISA-N 411.524 1.420 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1653186264 MBCUNZOTWHAWSG-OLZOCXBDSA-N 417.491 1.513 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)C1 1654001493 HHWIPELERCAHMJ-MRXNPFEDSA-N 402.520 1.831 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)C(=O)O1 1654032883 XLTKMLDSUWADCL-CYBMUJFWSA-N 418.498 1.281 30 10 HDEE N#C[C@]12CN([C@H]3CCN(c4ccc(C(F)(F)F)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1656343881 QWTOTXJJNOEIFY-JLJPHGGASA-N 413.421 1.681 30 10 HDEE C#CCN([C@H]1CCCc2ccccc21)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 1657143991 WWRYUJQOQYEMAM-IBGZPJMESA-N 409.467 1.918 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2sc(C(=O)OC)cc2Br)CC1 1665160619 ZYNKAQNIOCWHSI-UHFFFAOYSA-N 422.322 1.836 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1666005334 LAXGBIDARUJREA-SFHVURJKSA-N 419.547 1.794 30 10 HDEE C=CCSCCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1668520930 OXZZMXKEVDXVAP-SJORKVTESA-N 414.549 1.861 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ccccc2)CC1 1675509428 DUGMGJYXSBUUSN-UHFFFAOYSA-N 400.523 1.795 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)NCC#CCN(C)C)C2=O)ccc1Br 1679911569 HJGUJIYQMAQUKJ-MRXNPFEDSA-N 407.312 1.727 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1 1683130678 MVIIOTZYUPMMGY-SFHVURJKSA-N 407.536 1.864 30 10 HDEE C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1685441214 FLBAQMNKBSXHBV-HUUCEWRRSA-N 404.540 1.346 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CCN1C1CC1 1685632608 PNGJFPDGQZIRKH-QGZVFWFLSA-N 403.508 1.472 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(n2nncc2I)CC1)C(C)C 1686676061 ULZYCGFRIMBKQL-GFCCVEGCSA-N 401.252 1.887 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@]1(N2CCOCC2)CCSC1 1689968839 HSWALCRKRGKJCL-OAQYLSRUSA-N 412.563 1.541 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@](C)(O)c1cc(C)oc1C 1690092878 ZPCAVTSULSLXAI-NRFANRHFSA-N 417.510 1.620 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1690206365 OUVLWBYXWQOUFD-IFXJQAMLSA-N 403.483 1.755 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCC[C@H](NC(C)=O)C1 1690675024 NRDGDDQSZXWPAQ-FQEVSTJZSA-N 424.549 1.861 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1690676697 ATUFFMHMUDQOEO-UTKZUKDTSA-N 421.542 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC1CCOCC1 1690722301 DQPKNCUSYARMJL-UHFFFAOYSA-N 406.512 1.199 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)[C@@H](C)C1 1690854248 YZQVWEVELLHKGV-HNNXBMFYSA-N 405.462 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CC(Cn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)C1 1691217938 CAXQWMSBXWPVKO-INIZCTEOSA-N 402.499 1.826 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN(C)C3CCCC3)CC2)c1C#N 1693405634 BQPCYKHAVOODSH-UHFFFAOYSA-N 411.558 1.701 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1693930503 NQFBBDWMEDMIOS-UTKZUKDTSA-N 411.510 1.884 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1695770975 YNLLPEFAICWDOO-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE CCn1cc(Cn2c(Cc3ccccc3OC)nnc2N2CCO[C@H](C#N)C2)cn1 1695790954 GXAZINOIUKXSEX-GOSISDBHSA-N 407.478 1.871 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC[C@@H]1C 1697694975 MMGDFPOMHOLXMD-YJBOKZPZSA-N 422.493 1.767 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)C1 1698311282 POPXHVMICPIHOM-IRXDYDNUSA-N 422.555 1.194 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1698444397 YVFXQFSVYBDLET-QGPMSJSTSA-N 410.478 1.465 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCSC1 1705491186 ZMEWTODGEUTGMS-XCLFUZPHSA-N 410.503 1.920 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705491804 IGCZAJYVPWVAKF-CVEARBPZSA-N 419.526 1.924 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C)C(C)(C)C1 1705548749 SHGARUJODURSCU-UHFFFAOYSA-N 410.522 1.769 30 10 HDEE C#CCN(c1nnc(CC)n1CCCCCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1705571211 WROZLWWHDGVKRL-SFHVURJKSA-N 407.584 1.733 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1706057830 ROYXSAFJDPKDAF-MSOLQXFVSA-N 423.477 1.278 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C)C1 1710198663 HFIXWMXMXYGAIC-OAHLLOKOSA-N 408.466 1.614 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](C)N2CCOCC2)CCOC1 1710415708 BODLNFPRBBTRCL-MBOZVWFJSA-N 406.531 1.389 30 10 HDEE COCCOCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1712617327 AONJTIVWDYJSEX-IBGZPJMESA-N 423.477 1.523 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](CNC(C)=O)C1 1722305659 CIEDSXMWNWXKNZ-GOSISDBHSA-N 400.527 1.670 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1722308222 IIGVJVUPXSTTSS-OXQOHEQNSA-N 405.499 1.837 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC)c1 1722309528 OTULWWXSXVQIMC-SFHVURJKSA-N 424.505 1.712 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1722316775 MKBNYKHFTZQSJN-QLFBSQMISA-N 408.480 1.098 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1nncn1C 1722353273 YUKIMIXLHPEMMK-OAHLLOKOSA-N 414.514 1.639 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1=O 1722413338 LJLLVZKCCZIDAL-INIZCTEOSA-N 407.540 1.042 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(C)COCCO2)CC1 1722435917 RGBVDFMWWQQUMB-QFIPXVFZSA-N 411.506 1.514 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC(=O)N2CCCCC2)CC1 1722560164 RAEPSBQOZASBRI-MRXNPFEDSA-N 424.571 1.447 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1722568558 QQIWIYWKUSVEDI-INIZCTEOSA-N 412.498 1.284 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCN(C)C(=O)[C@H]1C 1722695280 YPBJJTWJHIJYBA-OAHLLOKOSA-N 419.489 1.462 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCO[C@@](C)(CC)C1 1722725450 LWSAHSGGAGSHJN-IBGZPJMESA-N 405.524 1.946 30 10 HDEE CC(=O)NCCCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1722850267 DVFHAUXVRZNAQN-KBXCAEBGSA-N 416.457 1.812 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)CC1 1729161695 HSHMBEVSNMHUTE-UHFFFAOYSA-N 414.466 1.654 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1729306264 FSTNLJYKZXUIGZ-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE CN(c1nnc(C(=O)N2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CCC1 1729343227 BGPDDZJKHYJIGJ-VLGSPTGOSA-N 413.482 1.029 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1729592003 FOOSPDKSPNULSS-DNVCBOLYSA-N 400.870 1.806 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740570554 YFTDWLFSNDKALQ-UHFFFAOYSA-N 411.554 1.734 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCS(=O)(=O)NC(C)C 1740613568 MQXTWSURTHWVRL-UHFFFAOYSA-N 405.524 1.563 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740622924 LAXDZMIRIAPNKH-SFHVURJKSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(CN(C)CC)c1 1740638256 GKHFEJWOIRIVBQ-HXUWFJFHSA-N 404.518 1.802 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCSC(C)C 1740685815 MRFBWAIBAKQKKA-HNNXBMFYSA-N 400.570 1.408 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2OCCN(C)C)CC1 1740703514 VOBZSLXEZGBBCE-UHFFFAOYSA-N 424.549 1.541 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1740705021 ASVKUYJBHKDICF-YCRPNKLZSA-N 401.511 1.051 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCS(=O)(=O)CC 1740784665 YNDMUZUJFUCTLQ-UHFFFAOYSA-N 402.524 1.964 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CCCS(=O)(=O)C1 1740940329 BLLTVBOLIBRQOH-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1740962710 MHYLBYSIBUFFLY-RBUKOAKNSA-N 422.533 1.470 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2=CCCOC2)CCO1 1741104809 OJVYJAAGHPNZOC-FQEVSTJZSA-N 422.489 1.505 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1743272366 VAEMKLGYFWCMFN-DHBXDJLTSA-N 410.482 1.297 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1747426732 FLWZAYSQCOXCIR-KRWDZBQOSA-N 424.571 1.411 30 10 HDEE CN(CCc1cnccn1)c1nnc(C2CCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747902630 JYUNZNQAWLQTES-ZZEZOPTASA-N 422.493 1.541 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C2CC2)C1=O 1748638159 JWUXSVHNHROPDR-QKKBWIMNSA-N 400.527 1.665 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(CC(=O)N(C)C)CC1 1748740246 OFPINRJKEMIPGW-UHFFFAOYSA-N 424.505 1.297 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748807746 CEZVVBAMKAPICI-YJBOKZPZSA-N 413.503 1.478 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCSC2)CC1 1748971149 FLAVPUBBRDMSBK-INIZCTEOSA-N 404.584 1.705 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C2CC2)N(C)C)CC1 1748978536 LYUJBOZNVKNGLE-SIKLNZKXSA-N 416.570 1.026 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2C[C@]2(OC)CCOC2)CC1 1749005365 VKNYIEFQWNBJRS-IIBYNOLFSA-N 403.527 1.563 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749127654 NPQLHJSZMWBBCW-IEBWSBKVSA-N 402.543 1.395 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C)N2CCOCC2)CC1 1749285327 FWGBCGXMVXNCLN-KRWDZBQOSA-N 411.510 1.803 30 10 HDEE COC[C@H](F)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCO[C@@H](C#N)C1 1749353234 QQPVLXHQKSLHFO-NEPJUHHUSA-N 413.251 1.749 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1cc(OC)cc(OC)c1 1749668591 ARFWQOUALOOWSJ-INIZCTEOSA-N 415.494 1.738 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1760095605 TVXSBBRYGUCABJ-OAHLLOKOSA-N 417.535 1.467 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2cc(C)nc21 1760099284 ZUVKLGBYDRZLKO-JYJNAYRXSA-N 419.555 1.429 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1760117728 SRFKFFHIXVRLTP-IHRRRGAJSA-N 423.564 1.850 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@](C)(O)C(C)C 1760172860 BMAWJOSPOOKJDR-FQEVSTJZSA-N 419.551 1.672 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1 1760191834 ADXBZTNOPOTTNE-INIZCTEOSA-N 424.473 1.768 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1760248373 KADIEIDHVOQKPR-ZGPJWRFFSA-N 401.511 1.256 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1oc(CCC)nc1C 1760249219 XMUOBQLMVFBOAL-HNNXBMFYSA-N 400.483 1.612 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1760251883 KPRXNYZJENNAQI-ZWKOTPCHSA-N 416.570 1.767 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2OCC)CC1 1760252918 XVLHUVSIJXFPON-UHFFFAOYSA-N 422.533 1.716 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC(F)(F)Br)CC1 1760263437 BAVDXFKMDWTTGA-GFCCVEGCSA-N 404.259 1.873 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CC(=O)N(CCOC)C1 1760460062 PPHQHJWTUDKHDD-HNNXBMFYSA-N 413.478 1.791 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)O[C@@H](CC)C1 1760514918 OLUNMLQDXVLZQP-HOCLYGCPSA-N 406.531 1.502 30 10 HDEE CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1768146930 NAEAFKWRSRTGSU-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1768875423 VOJGLJUFIGPGTI-GOSISDBHSA-N 422.486 1.335 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CCO1 1769243452 LQZZRNFMEFXPAX-LJQANCHMSA-N 424.505 1.585 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1770456167 AKUDSOYVWCSYMN-IUODEOHRSA-N 416.548 1.616 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 1851048873 GHLHANFXMQUYGD-ZFWWWQNUSA-N 417.409 1.609 30 10 HDEE COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)C2CN(S(C)(=O)=O)C2)cc1 1852644088 UBLQCFHRLRBMJN-UHFFFAOYSA-N 416.503 1.863 30 10 HDEE C=CCC1(S(=O)(=O)NC(CN2CCSCC2)=NOCc2ccncc2)CC1 1853501202 HFKREFSRMJLZJY-UHFFFAOYSA-N 410.565 1.989 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCC(Cn4cccn4)CC3)CC2=O)CC1=O 1854562872 DEIIAJYQHJOBOK-OALUTQOASA-N 413.522 1.005 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3cncc(Br)c3)C(=O)C2)C1 1855002716 IJEBPWFKBJZESV-OAHLLOKOSA-N 406.284 1.116 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCC[C@H](Cn4nccn4)C3)C2=O)cc1 1855198397 GQVLWQASYVTRPZ-PMACEKPBSA-N 406.490 1.622 30 10 HDEE C[C@@H]1CCN(C)c2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)cc21 1856058390 KMUCJWYAPPZFEM-CQSZACIVSA-N 418.519 1.546 30 10 HDEE Cc1nnc(CN2CCC([C@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)n1C 1856059381 FYNVJRMFTYDZHN-KRWDZBQOSA-N 407.478 1.291 30 10 HDEE C[C@H](C(=O)N1CCN(CCC#N)C2(CCCC2)C1=O)n1nnc2ccccc2c1=O 1856639066 HBWOLACQZPVLEF-OAHLLOKOSA-N 408.462 1.250 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccc(C)cc3)C2)CC1=O 1856802771 DYXNCPIIJOIRHY-IRXDYDNUSA-N 408.476 1.018 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2snnc2CC)C1)[C@H]1CCN(C)C1=O 1857068654 PVECJAAAPMUYJU-ZFWWWQNUSA-N 405.524 1.198 30 10 HDEE CCOC(=O)N1CCC(NC(=O)[C@H](C)CS(=O)(=O)Nc2cccc(C#N)c2)CC1 1858110936 APZBCTJTODVBAL-CQSZACIVSA-N 422.507 1.673 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O 1861298444 FZZKLBIBMQYSQA-AEFFLSMTSA-N 415.877 1.428 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC)cn1CCCN1CCCC1=O 1870564969 OANVVHXLXDYQKP-UHFFFAOYSA-N 416.522 1.160 30 10 HDEE CCCCCCCCN1C[C@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC)CC1=O 1872983375 NXJVPDRDIDROIJ-IAGOWNOFSA-N 409.527 1.476 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)N[C@H](C(=O)O)C(C)(C)S 1882714789 XMGBWNLKSNMOQW-GHMZBOCLSA-N 403.526 1.857 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)O 1886031987 TYDOXYJSRVJCEF-NEPJUHHUSA-N 401.460 1.550 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc4nccnc4c3)CC2)CC1 1889470895 FQVNGLRLXZVCRN-UHFFFAOYSA-N 407.518 1.502 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NCC2(N3CCOCC3)CCSCC2)cs1 1889786486 UZDBTDRSPULDHX-UHFFFAOYSA-N 410.565 1.387 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCC(N(C)c2cc(C#N)ccn2)CC1 1890111295 SJLOVKCFARCYIT-QGZVFWFLSA-N 424.530 1.983 30 10 HDEE C#CCCN(C1CCOCC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1964018174 SXKLMVQZXNDIPS-UHFFFAOYSA-N 404.488 1.507 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 1982302293 HWYZTVSFHMWRFS-LBPRGKRZSA-N 413.334 1.840 30 10 HDEE CCCCCCCCN1C(=O)C(=C(C)N[C@@H]2CCS(=O)(=O)C2)C(=O)NC1=S 2042448754 OUCUXFBPRKMBOI-CQSZACIVSA-N 415.581 1.641 30 10 HDEE C=CCn1ncc(NC2(CNC(=O)OC(C)(C)C)COC2)c(Br)c1=O 2044075109 KEINXGRKHWYSFL-UHFFFAOYSA-N 415.288 1.897 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)C1 2118165525 BSTKQSJPRFWPGS-OKZBNKHCSA-N 422.507 1.140 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 2118166619 KJOLPKGUIRABNL-ROUUACIJSA-N 422.507 1.094 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@@H](NC(=O)C(F)(F)F)CC[C@@H]2C(F)(F)F)CC1 2174779737 MJWOQDMJICDGAJ-DTWKUNHWSA-N 407.336 1.694 30 10 HDEE C[C@@H](C(=O)N(C)[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2186591498 PFBJRULIJRMRIJ-NEPJUHHUSA-N 401.359 2.000 30 10 HDEE C=C(CNC(=O)CCNS(=O)(=O)c1cccs1)B1OC(C)(C)C(C)(C)O1 2197715092 MQOPUCQRPQQLBJ-UHFFFAOYSA-N 400.331 1.720 30 10 HDEE C#C[C@]1(C)COCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2221415140 PZTPGHCWFOWKKW-RBUKOAKNSA-N 408.451 1.065 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548546 RDKIFBNCXSEAPT-UHFFFAOYSA-N 408.304 1.546 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247919540 WTCYYTPPEKNOQI-TZMCWYRMSA-N 420.319 1.694 30 10 HDEE C=CC[C@]1(CN)CCCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)C1 2259482459 FGTBXIIGJQAKTG-HXUWFJFHSA-N 405.520 1.620 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1O 2267357044 QGJFWQWMXCDUFG-ONGXEEELSA-N 407.750 1.702 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4(COC4)C3)cc2Cl)OC1(C)C 2267702938 NOPCQLDRUPKKTM-UHFFFAOYSA-N 405.734 1.722 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3ccncn3)cc2Cl)OC1(C)C 2282314974 HTQKZYPBYDSCJY-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@]2(=O)CC[C@@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320382 HRIYDUZJBLCMJE-SSINHNECSA-N 420.387 1.243 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1CCCNC1 2282330389 YYCJODSFOGCVPM-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CN(C[C@@H]1OCC[C@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333138 KWZBCOTXMHWFCO-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE CN(C)[C@@]1(C)CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282333729 RZDWBIOILSLLJP-KRWDZBQOSA-N 400.375 1.762 30 10 HDEE CC1(C)C[C@@H](CO)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333768 SKRWBEMTVRWEJI-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC[C@@H](C[C@H](C)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415528 ITNYRMJJBFVYGZ-RYUDHWBXSA-N 404.363 1.411 30 10 HDEE CCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282829464 FCSUEQQCSKGJLG-SNVBAGLBSA-N 402.347 1.159 30 10 HDEE CSC[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282845871 ZYEJVYBZVLQHHD-LBPRGKRZSA-N 418.415 1.957 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1(C)C 2282847969 HJWMWZCPACKALH-ZDUSSCGKSA-N 400.375 1.808 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848649 QFQVUFZSOBWKGZ-UHFFFAOYSA-N 400.331 1.598 30 10 HDEE CN(C)[C@@]1(C)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848717 QXUNSFWFVBXAAI-KRWDZBQOSA-N 400.375 1.762 30 10 HDEE CS[C@H]1CC[C@@H](NS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282853772 IWQUZXLQQUPTCJ-NEPJUHHUSA-N 401.363 1.282 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C[C@@H]1N 2282866740 OHAVYRWIUYQZDM-NHYWBVRUSA-N 400.737 1.607 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@H]2CCCC3(C2)OCCO3)OC1(C)C 2282869036 WIBKJZXGUXFXFQ-HNNXBMFYSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@H]2C(=O)O)OC1(C)C 2284400872 CKHSJRCDTGGZDI-NEPJUHHUSA-N 401.315 1.330 30 10 HDEE CN([C@@H]1CNCC1(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2289913729 MHGXZHLMQIBPSD-GFCCVEGCSA-N 400.375 1.666 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365173475 UEJCUOGQMUBQBN-IBGZPJMESA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365203709 KLPDKMXBPWQGHT-ZTENYAIWSA-N 400.541 1.291 30 10 HDEE COCCn1cc(C#C[C@H](NN)c2sccc2I)cn1 2366101508 PFLHKVDYLSBARF-LBPRGKRZSA-N 402.261 1.752 30 10 HDEE COCC1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CC(NC(=O)OC(C)(C)C)C1 2367783923 MCLIQFCRUFNZQJ-SWKXRBFHSA-N 401.525 1.638 30 10 HDEE CO[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367801245 QDSZDFJMOFRWIJ-ARFHVFGLSA-N 401.525 1.590 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2375785803 TWWPHWQLSRUJEB-LBTNJELSSA-N 402.513 1.514 30 10 HDEE N#Cc1cc(I)c(OCCN2CCNCC2)c([N+](=O)[O-])c1 43500446 XARQXRRYBFZRBO-UHFFFAOYSA-N 402.192 1.355 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(COc3ccccc3OC)o2)CC1 49618677 OFQITCKEMCMHJP-UHFFFAOYSA-N 413.474 1.927 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)Cn2c(=O)[nH]c3ccccc32)CC1 195668597 TZOCFWHXTSTVMN-UHFFFAOYSA-N 418.413 1.798 30 10 HDEE C=CCCCO[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253492997 RUZLEKUIXNODKZ-QTMHVTGLSA-N 416.423 1.052 30 10 HDEE C[C@H](C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1)n1cnc(C#N)n1 409912588 ZKFRBVYZCPARFU-ZBFHGGJFSA-N 414.491 1.094 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)N(CC)C[C@H](C)C#N)CC2)s1 410144876 IMKZMLWMTYAEGV-CYBMUJFWSA-N 415.541 1.168 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCc4ccnc(O)c4C3)n2)c(Cl)c1 426550331 BBKRASLFEWQCFV-UHFFFAOYSA-N 422.832 2.021 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 426864770 QGPAGLLAHXUTIM-QGZVFWFLSA-N 400.460 1.640 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccccn2)C(=O)OCC)cc1 430511679 WZWXQOCLHKPATA-GOSISDBHSA-N 417.487 1.450 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCS(=O)(=O)[C@@H](C)C2)nnc1-c1ccco1 463122048 GZBRSFBWPNEZNI-ZDUSSCGKSA-N 410.521 1.852 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2oc(-c3ccccc3)nc2C(=O)OCC)CC1 467195544 LWIODVCCMDADCK-UHFFFAOYSA-N 412.490 1.938 30 10 HDEE CCS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 471769523 MYGJFRLHBHKAPW-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE Cc1cccc([C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)N2CCOCC2)c1 489117570 PWCOZCKWOYHEAX-HXUWFJFHSA-N 400.504 1.922 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 507508504 JIIXTVANTYADEG-CQSZACIVSA-N 424.954 1.965 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](CC)O[C@]2(CCOC2)C1 508803623 YBFRBHPTYZZDKT-GHTZIAJQSA-N 422.493 1.881 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2noc(C(C)C)n2)C1 508936942 ASDGDCISQKCCAG-UONOGXRCSA-N 423.543 1.965 30 10 HDEE CS(=O)(=O)NCC1CCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)CC1 510191572 IMXAJSXVZSSBBP-UHFFFAOYSA-N 412.943 1.848 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C#N 515662915 PMNFLSSEANNRGZ-UHFFFAOYSA-N 404.426 1.159 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCN(CC(F)F)CC2)CC1 538264615 NOTSBGOSQYADOZ-SFHVURJKSA-N 409.456 1.417 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CC[C@@](O)(C(F)(F)F)C2)CC1 539456287 OWRPFQKSTQGKNT-CJNGLKHVSA-N 402.442 1.456 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 543634209 MGGRAHGLPBRDBW-VIFPVBQESA-N 409.258 1.890 30 10 HDEE N#Cc1cccc(N2CCN([C@@H]3CC(=O)N(c4cccc(C(=O)O)c4)C3=O)CC2)n1 544871027 HMRXDMSXTIOZIO-QGZVFWFLSA-N 405.414 1.106 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCCN(CC(=O)O)CC2)c1 548235662 OISQKFYIAFTKKR-UHFFFAOYSA-N 402.270 1.102 30 10 HDEE C=C(C)Cn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 549297046 GWIHQNCNKXJADA-AWEZNQCLSA-N 403.508 1.592 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)CC2)o1 549644783 COWVQYDCUNCNJP-KRWDZBQOSA-N 408.462 1.778 30 10 HDEE COc1cccc(CSC[C@@H](NS(=O)(=O)c2cnc(C)c(C#N)c2)C(=O)O)c1 562373662 SWELNQKRAUHSHG-QGZVFWFLSA-N 421.500 1.935 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@@H](C#N)c3ccccc3Br)cnc21 609592502 YSIBJXXYRCYFAH-ZDUSSCGKSA-N 401.224 1.274 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)no1 610808920 CHURGXRIVYIZSS-WBMJQRKESA-N 403.464 1.670 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnc3ncc(Br)cc3c2)CC1 681951300 QOKQPYHBVKNFOC-UHFFFAOYSA-N 418.295 1.452 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2F)c2c1CCC2)[C@@H]1CCS(=O)(=O)C1 729334856 WUQBOKZONMGZKY-CQSZACIVSA-N 401.463 1.763 30 10 HDEE COc1ccc(OC)c(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CC2)c1 730144845 SBPHZPDNGHPWDW-KRWDZBQOSA-N 420.535 1.866 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 732465645 HKYWTKWMHHMIAM-OTZFSBHDSA-N 404.854 1.949 30 10 HDEE CSCC[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 732647604 GSSKDIRUFPZHRK-WNRNVDISSA-N 418.563 1.482 30 10 HDEE CSCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732766137 PCWXGANHUFAGBE-MOPGFXCFSA-N 400.548 1.666 30 10 HDEE COC(=O)CCCOc1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 734174652 IVHROUNOJNTMEN-SFHVURJKSA-N 400.479 1.900 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Br)cc2F)CC1 734276775 HYROSEZLQHLHAY-UHFFFAOYSA-N 413.291 1.718 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)N(CCC#N)CCC#N)CC(=O)N2C)cc1 734921326 NMLORSMPSYSNMD-FXAWDEMLSA-N 412.446 1.414 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(C)c(C)c(S(N)(=O)=O)c1)c1ccc(C#N)cc1 740200516 KKCLQPXVFBJAMM-KRWDZBQOSA-N 402.428 1.894 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2cc(C3CC3)nn2[C@@H]2CCS(=O)(=O)C2)CCN1C1CC1 749240039 KUTUFATVMHMQLL-HZPDHXFCSA-N 418.523 1.324 30 10 HDEE C#CCN(CC#C)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 752153926 TYWPWMOCLPFOPY-OAHLLOKOSA-N 423.332 1.945 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NOCc2ccc(F)cc2)cc1 755559019 VGNZYQDJWRETOV-UHFFFAOYSA-N 421.450 1.819 30 10 HDEE C[C@H](CC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 758317949 NQUTWOSIUDABND-VNHYZAJKSA-N 406.508 1.054 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2=Cc3cc(OC)ccc3CC2)CC1 758474143 WFFDEFUKCHQBLX-UHFFFAOYSA-N 417.531 1.069 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(Cc2cccc(Cl)c2)C(=O)C1 758480230 HACYZIAYKBGYLV-UHFFFAOYSA-N 404.879 1.708 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)c1 761074174 SIHDAZHCMYEQAG-GFCCVEGCSA-N 424.392 1.931 30 10 HDEE CCc1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1S(C)(=O)=O 765947753 TUWITYQUWUFXCY-UHFFFAOYSA-N 406.485 1.951 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)cc1 765965077 CKDDLHFTQLXPEU-NJAFHUGGSA-N 411.487 1.991 30 10 HDEE C[C@H](CC(=O)NCc1ccc(C(=O)O)cc1)/N=C1/NS(=O)(=O)c2ccccc21 769510766 UZAUONKGTUZXFX-GFCCVEGCSA-N 401.444 1.518 30 10 HDEE C#CCN(C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)[C@H]1CCS(=O)(=O)C1 769682310 OXPFMSXKOIFPGD-LPHOPBHVSA-N 419.478 1.003 30 10 HDEE COc1ccc(CNC(=O)NC2CCN(S(=O)(=O)CC(C)C)CC2)cc1C#N 776923410 HNBWLNVTCKGNAN-UHFFFAOYSA-N 408.524 1.816 30 10 HDEE COc1ccc(S(=O)(=O)Nc2cc(C#N)ccn2)c(NS(=O)(=O)C(F)F)c1 788846828 ZSEBOTNEMXSWFQ-UHFFFAOYSA-N 418.403 1.727 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccccc3)n2)c(=O)n1-c1ccsc1 790434399 PQAYPONKQUZDIY-UHFFFAOYSA-N 402.464 1.568 30 10 HDEE COCc1cncc(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c1 790841172 BKQNSSKOOJRPNZ-UHFFFAOYSA-N 410.249 1.981 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(COc3ccc(C#N)cc3)n2C)n1 809806549 BOVJFJKYRUHUQJ-UHFFFAOYSA-N 405.462 1.748 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1csnc1-c1ccccc1 820790903 AEIFCFUMMRZVLL-MSUUIHNZSA-N 404.473 1.615 30 10 HDEE CC(=O)N[C@@](C)(C(=O)N1Cc2ccc(C#N)cc2C1)c1ccc(S(C)(=O)=O)cc1 1130422201 ASXIEYNAQHPDCQ-OAQYLSRUSA-N 411.483 1.855 30 10 HDEE C#CCN(C(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C(C)C 1134183174 JPJZKBKRDWGTKC-UHFFFAOYSA-N 419.503 1.639 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](n2cc(C(=O)N3CC[C@](O)(CC#N)C3)nn2)C1 1143195233 AERSLDLYTXEULA-IFXJQAMLSA-N 404.471 1.341 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1144428716 AEXSWMHKLKXQCL-SQFISAMPSA-N 417.365 1.236 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@H](CN4CCOCC4)C3)o2)cc1 1149726684 VSNKCILEQFYNAP-HXUWFJFHSA-N 411.458 1.903 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC[C@@]3(O)C(=O)Nc4ccccc43)CC2)o1 1153784951 CAHRTPYQKPPWSV-NRFANRHFSA-N 409.446 1.417 30 10 HDEE CCCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CC(=O)N(C)C1=O 1155354675 NGPQVQNHSIVJFE-INIZCTEOSA-N 405.495 1.633 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C#Cc2cccs2)CC3)CC1 1157375154 KWLSAAOMDRKIKJ-INIZCTEOSA-N 411.531 1.063 30 10 HDEE COCCN(CC#N)C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1160823392 SBMHRYGPNQBVMC-UHFFFAOYSA-N 403.483 1.751 30 10 HDEE Cc1ccc(C(=O)NCC(=O)C2CCC(F)(F)CC2)cc1S(=O)(=O)NCC#N 1162619563 MKDOXGNOPYQICX-UHFFFAOYSA-N 413.446 1.921 30 10 HDEE N#Cc1cn(C2CN(c3ccccc3S(=O)(=O)C(F)(F)F)C2)c(=O)nc1O 1163740392 VQEMEMDJALSPGQ-UHFFFAOYSA-N 400.338 1.175 30 10 HDEE N#Cc1cc(NCCC(=O)N2CCN(c3ncccn3)CC2)ncc1Br 1185211895 IRKCEHIYLPEENX-UHFFFAOYSA-N 416.283 1.657 30 10 HDEE C=C[C@H](C)ONC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1197219768 HTKOZFADOBCCBV-KBPBESRZSA-N 411.480 1.888 30 10 HDEE CC(C)Cn1c(N)c(C(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)c(O)nc1=O 1198219142 LZLQICJPLWNCBN-KRWDZBQOSA-N 411.462 1.315 30 10 HDEE CCOC(=O)c1c(NC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)c(C#N)cn1CCOC 1203101589 FDQBEGZEVMFFPP-WDNDVIMCSA-N 404.423 1.066 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H]1CS(N)(=O)=O 1226704216 XZNRLNFRUVRSSX-XNGJBWTFSA-N 421.523 1.209 30 10 HDEE CCS(=O)(=O)c1ccccc1CCNC(=O)N1CCC(C#N)(C(=O)OC)CC1 1248600351 WTWSJDUSJBNTOX-UHFFFAOYSA-N 407.492 1.511 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C1CCOCC1 1280097625 ROPDQMRRHPJRKQ-RDJZCZTQSA-N 416.474 1.610 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cncn1 1286456061 MACRHMJDESYEJS-KRWDZBQOSA-N 408.441 1.300 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)=O)C1 1286754966 XZVMANRADFEXGJ-DOTOQJQBSA-N 424.571 1.325 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1286781869 CUUAJYMMWCMLDW-QZTJIDSGSA-N 419.489 1.366 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2noc(CC)n2)C1 1286807924 HOKFTZWJXCFHRT-UONOGXRCSA-N 401.471 1.199 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2conc2COC)C1 1286813189 XVADEUXVZDMFRG-MRXNPFEDSA-N 416.482 1.365 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@H](CC)C1 1286821992 XRWXNGDEQVQMKM-FUHWJXTLSA-N 419.551 1.868 30 10 HDEE CCc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2C[C@]2(O)CCS(=O)(=O)C2)cc1 1292457553 HUGQYZQTPQGHEU-MGPUTAFESA-N 417.535 1.653 30 10 HDEE CC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCS1 1293523973 QYCCCIUPNVHFQL-DOMZBBRYSA-N 424.552 1.733 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1294887043 DDMDBMZAEWYHMM-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1296066336 BXONMTAURNIRHR-SJORKVTESA-N 406.556 1.404 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1296593089 MBBUQRGPUIZQCG-RBUKOAKNSA-N 419.327 1.845 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1296593093 MBBUQRGPUIZQCG-RTBURBONSA-N 419.327 1.845 30 10 HDEE Cn1cnnc1Cn1c(COc2ccc(F)cc2)nnc1N1CC[C@@](F)(C#N)C1 1298870719 FMRUQYRWRPNLJA-GOSISDBHSA-N 400.393 1.615 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1300401726 XUZWLZHZNAMSAR-OAQYLSRUSA-N 409.494 1.512 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1300493507 VTIMMYBSGVOKAF-OAHLLOKOSA-N 416.494 1.844 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1300602434 QYYZMHGTDSEVFZ-INIZCTEOSA-N 415.469 1.876 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300671826 QNAOTGSFFXPBGN-INIZCTEOSA-N 411.572 1.234 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)NCC2CC2)CC1 1300721866 BJDIMJXNUXYONJ-UHFFFAOYSA-N 412.538 1.428 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300885028 NPXRWVGKBUBGBG-TWMKSMIVSA-N 410.540 1.387 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1301916985 PSHDOVDPDYIAIX-OAHLLOKOSA-N 409.494 1.400 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2Cl)CCO1 1303001504 BOJZDNQRMUYOAX-HNNXBMFYSA-N 400.870 1.945 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)C1 1307987558 ALXUZGKNQQPFCW-GCJKJVERSA-N 422.570 1.359 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O)[C@@H]1CCOC1 1314683557 ONYLPDANXRQXGO-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1316263728 IGYVTSVTQVWQIE-LPHOPBHVSA-N 415.494 1.720 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1358873924 PXYUNIHLFAZHHN-OXQOHEQNSA-N 424.567 1.601 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1358887019 ONDFEGPWWVHDLJ-OAHLLOKOSA-N 414.510 1.311 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCN1CCN(C(C)=O)CC1 1358893169 PGFPQYWHDUZLTK-LJQANCHMSA-N 408.550 1.799 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1358924318 SIYUPHBDGTXZKM-QFBILLFUSA-N 422.493 1.574 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1c(F)cccc1F)N(C)C 1358947059 QEWPVZVKVJVCBV-JKSUJKDBSA-N 402.449 1.880 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H](C)C1 1358994499 OTDBDIQCRXJALZ-FGTMMUONSA-N 404.536 1.458 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359153721 PNDZXQCHTAHRGJ-AWEZNQCLSA-N 407.931 1.942 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NC)c1 1359240719 WKXGNKUATKCKDM-INIZCTEOSA-N 403.508 1.210 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1359282962 ZEORALVJEGMZJL-CQSZACIVSA-N 401.471 1.784 30 10 HDEE CC(C)(C)NC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1359553190 RZXYJUTZMQEGAJ-UHFFFAOYSA-N 423.521 1.972 30 10 HDEE COc1nc(N2CCN(C(=O)CC3(C#N)CCOCC3)CC2)ncc1Br 1361243125 VJAFYJZGNFLZCV-UHFFFAOYSA-N 424.299 1.607 30 10 HDEE NC(=O)C1CCN(c2ncccc2CNC(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1443628423 CUUXBGGOEVWTJT-VMPITWQZSA-N 410.449 1.821 30 10 HDEE N#C[C@H]1CN(C(=O)CCCn2cnc3c(N)ncnc32)CCN1Cc1ccccc1 1443898631 RDTMIBHSNZAFTJ-KRWDZBQOSA-N 404.478 1.425 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC)[C@H](O)c2ccccc2F)cc1 1445781984 CKOPTVQBNLEEAI-RBUKOAKNSA-N 404.463 1.979 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 1449904194 ZGPWYKHQMZMJSO-KGLIPLIRSA-N 403.298 1.577 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 1454041273 KARKNINLKIEICG-AWEZNQCLSA-N 402.398 1.881 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4s3)CC2)cc1 1454253923 AOGXHQUPKQAKOV-OALUTQOASA-N 408.483 1.911 30 10 HDEE CCN1CCC(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)(c2ccccc2)CC1 1456206815 FROUSYGPEATYKD-ICSRJNTNSA-N 401.532 1.437 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1456737477 ZDUPIVZLCIVYBW-OYHTYJOISA-N 415.519 1.833 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CSC[C@H]1C(=O)N1CCSCC1 1462942066 HBDAIVXEQIDMIN-AWEZNQCLSA-N 415.537 1.645 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1c1cccc(C)c1 1463163535 OIMLXIOUVSEIMY-ZDWTUXFCSA-N 415.515 1.301 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3(N4CCOCC4)CC3)c(C#N)c2N)cc1 1465599980 OJKQCTBZZMDDAG-UHFFFAOYSA-N 408.506 1.548 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1COCCN1C(=O)OC(C)(C)C 1471030271 YSDDABALMWFRAK-ZWKOTPCHSA-N 418.494 1.869 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)C2(NC(=O)OCc3ccccc3)CC2)c(=O)n1C1CC1 1473072781 HKKBNMGSLVDLDI-UHFFFAOYSA-N 422.441 1.553 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCCN(CC(=O)N(C)C)CC1 1473799294 VBROLUAQLCBQJL-KRWDZBQOSA-N 417.579 1.973 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)C1=O 1475241518 AEVMHXNQZGIHGB-OAHLLOKOSA-N 411.911 1.656 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 1478960415 QUUKBAPKOCIQJQ-HHHXNRCGSA-N 406.405 1.840 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CCCO1 1494476399 DGGHQTARHVCBCK-VQIMIIECSA-N 413.478 1.759 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1503369057 ZESIRUHQVUQFQN-OAQYLSRUSA-N 407.478 1.011 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(=O)OC)CC1 1507592909 GVAZEUAVZLSMLG-UHFFFAOYSA-N 416.507 1.571 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507630302 WMUVLBPUQGAJSD-OXQOHEQNSA-N 417.535 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1507648418 NTIFJHVFTOSDRN-UHFFFAOYSA-N 423.436 1.778 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CCCCC1 1507654562 KXSVVYAOPVNMBS-UHFFFAOYSA-N 410.547 1.828 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCOC[C@H]2C)CC1 1507721269 REFDYYMPGAMNJG-LJQANCHMSA-N 419.533 1.293 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507832997 RQOUYZKZDFKBMQ-NQIIRXRSSA-N 423.565 1.829 30 10 HDEE C=C(C)Cn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1507835316 VCSIJQMMETVIFJ-UEXGIBASSA-N 405.543 1.663 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1507954087 KPPXIDQHKOGRMV-IKGGRYGDSA-N 410.540 1.531 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2cccnc2)n1CCN1CCCS1(=O)=O 1508020745 PYHJIWFSINTXFN-UHFFFAOYSA-N 402.524 1.478 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1516454748 CRLKJQVVIJSVNU-HNENSFHCSA-N 414.466 1.879 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)NCc2ccc(C#N)c(Cl)c2)[C@H]1c1nccn1C 1519211539 CIQVVZQRBAVVEX-IRXDYDNUSA-N 401.854 1.550 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@H]2COCCO2)c1 1521075036 GVDBYEQSRCZFQH-IBGZPJMESA-N 424.505 1.714 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3cc(C#N)ccn3)n(C)c2)C1 1523472458 VTVFAYMKBVWLGQ-AWEZNQCLSA-N 401.492 1.989 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)c1cccnc1 1527326350 DMSIIIITBFZTPX-KRWDZBQOSA-N 401.444 1.803 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1531182038 RITXQKFJBXZLOZ-OWCLPIDISA-N 422.547 1.697 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(NC(=O)OC(C)(C)C)c2)C1=O 1532362763 SKFGQPLRKMFBED-UHFFFAOYSA-N 416.434 1.627 30 10 HDEE C#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1 1533826319 PPWPVWWHBLEVAP-UHFFFAOYSA-N 402.447 1.758 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1539132106 DWEMIDHHFYHYKR-UHFFFAOYSA-N 417.535 1.395 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1539201689 BVJASXCREDFKBB-FOIQADDNSA-N 420.535 1.703 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(C)CCCO2)CC1 1539484706 ZYWPSGYMNKSAMA-QHCPKHFHSA-N 422.533 1.799 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1539995864 IWANSEPDLTWHPT-UHFFFAOYSA-N 403.464 1.568 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC(=C)Br)C1CC1 1540094719 QBEOAEZNSUSMCF-NSHDSACASA-N 404.334 1.952 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541297478 SMKLRGXOGMJBIN-SPLOXXLWSA-N 412.494 1.724 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCCC1(C)C 1543317645 ANQXTHFOKIRKKH-YCRPNKLZSA-N 410.526 1.905 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC4(CC3)COC(=O)N4)C2)C1 1546084572 MTXNZPYTMTXPLG-CHWWFWEZSA-N 418.494 1.874 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1555280568 KOICZQDAULQXGE-YWZLYKJASA-N 416.457 1.415 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCCS1(=O)=O 1555611849 FWHAWSFGELBNGW-ARFHVFGLSA-N 413.544 1.565 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCNC(=O)c1ccco1 1555728940 NRISDAZVJCUOPG-ZOBUZTSGSA-N 416.482 1.763 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@H]2CCOC2)c1 1555988318 WVBAVYKAMZOYBW-QGZVFWFLSA-N 410.478 1.196 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)C1 1556132587 PCCZTJQOBKANKX-UONOGXRCSA-N 424.498 1.234 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1556382092 UDURQUNUHOHDHS-YWZLYKJASA-N 407.467 1.836 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 1556503996 GYTUIWRENOIVPT-KRWDZBQOSA-N 404.308 1.373 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2c(=O)n(C)ccn12 1558152321 HXTGQLNWKXMWIF-CYBMUJFWSA-N 404.471 1.294 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 1560128314 DTYGRWUGACRHPC-IYWMVGAKSA-N 401.507 1.430 30 10 HDEE C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc(-c2ccccc2)no1 1564474703 XKCCYYVZMAGJRZ-ZUEVXXBESA-N 415.475 1.420 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1565815903 WUHHXWWJMPXJAG-FPCVCCKLSA-N 411.424 1.140 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)[C@H]1CCCO1 1567814336 GRYCZXRXUSIXLP-VXGBXAGGSA-N 421.700 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CCN2CCOC(C)(C)C2)s1 1568465599 ZFSHIIFBXHNCHS-UHFFFAOYSA-N 415.581 1.324 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1584145723 SMXQWBPOXPPFSF-AWEZNQCLSA-N 407.568 1.074 30 10 HDEE N#Cc1cn(CCC(=O)N2CCCN(CCCc3ccccc3)CC2)c(=O)nc1O 1584249259 FDBALGUOCDBXSG-UHFFFAOYSA-N 409.490 1.378 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1[N+](=O)[O-] 1587270162 XRWIDANZFJDEOY-UHFFFAOYSA-N 420.472 1.894 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CC[C@H](O)C1 1587614017 BITNUHULFSSCDB-PXNSSMCTSA-N 417.517 1.808 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1587661555 FCWGDXIRQNUEPG-MSOLQXFVSA-N 420.517 1.912 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCc1nnc2n1CCCCC2 1588149199 JCDRZAFRRROQLF-UHFFFAOYSA-N 414.517 1.897 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1588459133 MUHFBGGWLXWECU-KZNAEPCWSA-N 421.567 1.793 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1COCCO1 1588549947 DCQOOWCGOFXNHR-IEBWSBKVSA-N 400.454 1.976 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccccc1F 1588645862 DNXJAZZDTIWGJN-MRXNPFEDSA-N 415.469 1.437 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)C(C)C)CC1 1588864874 LALJHVNJXUAWLH-UHFFFAOYSA-N 412.586 1.625 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1589053022 DANLGEYIRFSUOM-GOSISDBHSA-N 402.455 1.814 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1595108705 IHOORELWJDULFD-GOSISDBHSA-N 408.506 1.985 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)(F)F)C1 1595715276 URIDTRYSQRGKRI-GFCCVEGCSA-N 411.388 1.195 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1596660777 IDHDSWQQSAZJFO-HNNXBMFYSA-N 424.494 1.945 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1611301915 CLHBRZICHCOYSD-DYVFJYSZSA-N 407.478 1.302 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](C[C@H]1CCCO1)C(F)(F)F 1611314033 VYYPXAJCWOFBKQ-ZWNOBZJWSA-N 405.398 1.341 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)C1CCOCC1 1618324799 ZXRFIBBYXAIPBD-GOSISDBHSA-N 414.462 1.422 30 10 HDEE Cn1cc([C@H]2C[S@@](=O)CCN2C(=O)Cc2ccc(Br)cc2C#N)cn1 1625082041 WQFJCGYOHOJSQM-CPJLOUKISA-N 421.320 1.929 30 10 HDEE CC(C)CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C#N)c1ccc(Br)cc1 1625197076 LSZLJFOKZVRAFF-UONOGXRCSA-N 409.284 1.536 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)CCO)cc1C)C(=O)OC(C)(C)C 1626409456 RWBSSGRDXJOAQA-UHFFFAOYSA-N 410.492 1.570 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccn(CCS(C)(=O)=O)n3)n[nH]2)c1C 1629771477 IGXOZRGJRHOETG-UHFFFAOYSA-N 417.495 1.569 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1630766198 OOSUWIRDKAVQCN-GOSISDBHSA-N 412.490 1.761 30 10 HDEE COc1ccc(C(=O)N(C)[C@@H]2CCC[C@H]2C#N)cc1S(=O)(=O)N1CCOCC1 1631882304 DYOFHJGMALZDOW-JKSUJKDBSA-N 407.492 1.480 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC)C[C@@H](O)C(F)(F)F)s1 1633480721 UFTQGJWDKBKGJA-LLVKDONJSA-N 400.444 1.527 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1cccc(O)c1)CC1CC1)c1cc[nH]n1 1635663646 UGCCZVBGSYRTLH-UHFFFAOYSA-N 400.435 1.838 30 10 HDEE C=CC1(CC(=O)N(C)C2CCN(S(C)(=O)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1636097242 YYRHLSPSVYONQQ-UHFFFAOYSA-N 415.556 1.682 30 10 HDEE COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@H](C#N)CO)c2)cc1 1636605689 ZTYBYNSGMHGWPR-GFCCVEGCSA-N 423.878 1.788 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2nc3cc(Br)ccc3o2)C1=O 1638222153 BQWRFUTZXJHUNT-UHFFFAOYSA-N 421.207 1.183 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)cc1C 1639567933 BOSTZWYYRFZGBR-MRXNPFEDSA-N 409.508 1.565 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCCN3Cc3ccc(Cl)cc3)C[C@H]1CS(=O)(=O)C2 1639821946 ORZRZXZGRPTTGV-VDZJLULYSA-N 407.923 1.701 30 10 HDEE C#CCONC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC)ccc1F 1640315257 AIEOAPMJGPWAQE-UHFFFAOYSA-N 423.378 1.838 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1c1cccc(F)c1 1640542526 WPGIKDWJGGBRPA-MRXNPFEDSA-N 403.435 1.464 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)C1CSC1 1641188938 OXYYAOZEEBKGMS-CQSZACIVSA-N 423.516 1.573 30 10 HDEE C[C@@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCN1S(C)(=O)=O 1641450186 UYKPMWCKWHGVIB-CQSZACIVSA-N 408.499 1.406 30 10 HDEE Cc1cc(C)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(C)c1Br 1641970344 IEDAKYYZINIIDN-UHFFFAOYSA-N 405.252 1.938 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C(F)F)CC1 1642445173 GJVWJTVEZIFGKP-CYBMUJFWSA-N 401.435 1.388 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C\c2ccccc2O[C@@H](C)CC)CC1 1643372266 DBJXAKQLSLCZRK-MQNTZWLQSA-N 405.520 1.489 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)c3cccc(F)c3C#N)CC2)cc1 1643680782 FOKBBXCABPPRIT-UHFFFAOYSA-N 402.451 1.568 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)ccc1F 1644057515 UGHKKQMBFMSABG-GUYCJALGSA-N 402.451 1.982 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC(O)(c3ccnn3C)C2)cc1OC 1644325188 SAPBFFKIVKDFJC-UHFFFAOYSA-N 416.478 1.688 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1644570199 BCYAPBDTFIOWHA-UHFFFAOYSA-N 423.535 1.049 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC(c3nc(-c4ccccc4)no3)C2)cc1 1646301518 XNTAXUSFLVSNFQ-UHFFFAOYSA-N 422.466 1.888 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CN(Cc4ccccc4)CCC3(F)F)C[C@H]1CS(=O)(=O)C2 1648155521 IXEBQOZLVZINIW-JENIJYKNSA-N 423.485 1.541 30 10 HDEE N#Cc1cc(C(F)(F)F)cc(NCCC(=O)N2CCN(c3ncccn3)CC2)n1 1651478107 UHSRQQFVUBXDFH-UHFFFAOYSA-N 405.384 1.913 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)COc3ccc(S(N)(=O)=O)cc3)C2)nc1 1652332213 RAAJKOICIUETED-OAHLLOKOSA-N 415.475 1.083 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC2(c3ccc(C#N)cc3)CCOCC2)CC1 1654488771 HOUFDKQITMTWKS-NRFANRHFSA-N 409.534 1.846 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2nnc3c(cnn3-c3ccccc3)c2=O)c1 1656331695 IPJWSNRJRSISMZ-UHFFFAOYSA-N 413.397 1.307 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)c1cc(C(=O)OC)no1 1663379496 REXOGFOUDCIUBK-MRXNPFEDSA-N 422.459 1.812 30 10 HDEE C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1664316454 FAYYCBKJTAENJX-JTQLQIEISA-N 411.427 1.592 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(OC)c(C(C)C)c(OC)c2)CC1 1668308560 DIBHYZJZGUQLEO-UHFFFAOYSA-N 424.523 1.444 30 10 HDEE C#CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCOCC1 1671621833 ZBZJLPSAUYEPMM-UHFFFAOYSA-N 414.549 1.568 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(OC)cc2S(C)(=O)=O)c1 1671999912 TUTWSXBNFDUTII-UHFFFAOYSA-N 401.444 1.840 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3c(ccn3CC(C)C)c2)CC1 1674065107 XMLGMQJXSUNMDA-UHFFFAOYSA-N 417.535 1.914 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 1674713273 UJDCOWNOLMKPLV-UHFFFAOYSA-N 400.479 1.636 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3)C[C@H]1CS(=O)(=O)C2 1679713855 QRMBSIFOWFSDPO-QMTMVMCOSA-N 406.483 1.374 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)CCNS(=O)(=O)c1ccccc1 1681969155 JYADRBZUKYTNJY-INIZCTEOSA-N 423.535 1.730 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1687479141 NUWWGVQGIVTJQZ-IRXDYDNUSA-N 407.511 1.836 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@@H](C(N)=O)C1 1689930605 VSHWALVPFKRPNH-GOSISDBHSA-N 422.537 1.567 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(OC)CCCC1)[C@H]1CCS(=O)(=O)C1 1689989816 IZNPHWZCFIUBCU-SJORKVTESA-N 422.551 1.368 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCOCC1 1690187929 AGTDWKSRUGVFOS-VGOFRKELSA-N 423.521 1.638 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2nc(C)nc2C1 1690420419 NMLBAFPMZRDKKH-ZDUSSCGKSA-N 422.559 1.411 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690675062 OPZSMBYAFKAFJF-ROUUACIJSA-N 408.506 1.080 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccncc2)CCOC1 1692595631 PJOVMKBOFNJSQH-NQIIRXRSSA-N 412.494 1.685 30 10 HDEE CN1C[C@](C)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CCn2cccn2)C1=O 1696883055 FLYBZLDFMHXYAD-OAQYLSRUSA-N 404.478 1.628 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705533280 WTKSIYAOIQIOPR-SJORKVTESA-N 409.556 1.351 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(NC(C)=O)cc1 1705541488 KOOQIGLYEBEEHZ-CQSZACIVSA-N 418.523 1.159 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCNC(=O)c2cccc(C)c2)CC1 1705641922 ZBPXLRIQVSMRNI-UHFFFAOYSA-N 406.534 1.724 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCC2(O)CCOCC2)CC1 1705644501 SKEBFULFQLYGFX-UHFFFAOYSA-N 403.527 1.299 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705657687 NJBOOUNKKQUYAY-OAHLLOKOSA-N 420.564 1.225 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705698124 PUTXYFPYAHBUFB-AZUAARDMSA-N 402.543 1.312 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705700193 PYDJPBWYESQSCO-NVXWUHKLSA-N 409.556 1.655 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1705724695 IEBFXMHQCNSWIP-ZDUSSCGKSA-N 414.432 1.700 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705738061 JJWPAFPTXQJAKF-ZWKOTPCHSA-N 404.559 1.912 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1705740845 YESCDKFYBROHST-FQEVSTJZSA-N 420.514 1.222 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)C(=O)C1 1705792225 PMWBPOKVMDPKGO-HNNXBMFYSA-N 421.567 1.594 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705833150 WDCKMFKXVRPCLZ-QZTJIDSGSA-N 419.526 1.550 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)c1nccs1 1705901307 IGSMKHDSRQLGRE-STQMWFEESA-N 403.512 1.228 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1cc(C)nn1C 1709136948 CZTZEBBJYOGPOH-UHFFFAOYSA-N 408.514 1.171 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCS(=O)CC3)n2CC2=CCCOC2)cc1 1712881910 OAZPFIBJKMYYRH-UHFFFAOYSA-N 413.503 1.644 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1722322531 UFJAIGXLYQRQMM-CSODHUTKSA-N 401.511 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1722386879 OEXUHVDLLBALKU-UHFFFAOYSA-N 422.581 1.240 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@]1(O)CCOC1 1722632719 DXQAHAODSNSNOC-IBGZPJMESA-N 420.539 1.320 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCS(=O)(=O)C1 1722648208 SAJFFIVMHWEUTJ-HXUWFJFHSA-N 415.519 1.453 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1722702439 NWAJMXNXWOETHC-HOTGVXAUSA-N 418.542 1.343 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1722719094 XFHQITDWMOSLDC-SIKLNZKXSA-N 408.506 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCc2oncc2C1 1722725082 DYVPEOQIVOKKBG-UHFFFAOYSA-N 400.464 1.492 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1723078274 UKMLTMJMQBSMAB-GOSISDBHSA-N 423.521 1.900 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCN(CC)CC1 1740533108 OUFNPLDFEVYEMW-HZPDHXFCSA-N 410.588 1.468 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1740565298 QXJXFZJWZDYDFK-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1740575043 PMDLSAVUJYJZQB-IRXDYDNUSA-N 419.551 1.185 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CCN1CCOCC1(C)C 1740644936 ZNMRDNMJWMNJDK-UHFFFAOYSA-N 412.538 1.088 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2cnnn2C)CC1 1740689861 DTWUPNJRVRMZPD-HXUWFJFHSA-N 404.522 1.752 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2CCOCC)CC1 1740692430 KNZXQBZFPWVAKG-UHFFFAOYSA-N 421.343 1.838 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(O)CCN(C)C1 1740723979 XBAGTHNSGPCNML-NHCUHLMSSA-N 402.543 1.255 30 10 HDEE C=CCC(C)(C)Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CN(S(C)(=O)=O)CCO1 1740852255 LHVZEPCKMUTVFP-OAHLLOKOSA-N 423.543 1.690 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740876423 RWISQKYCGQXXKC-OALUTQOASA-N 416.570 1.881 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1C 1740920562 QZIJTXUVJMMLIA-UHFFFAOYSA-N 412.523 1.945 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2cccc(OC)c2)CC1 1740957288 IVZRKGOKRZISSU-UHFFFAOYSA-N 421.505 1.911 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cc[nH]n2)C1 1740977609 WIZPURFHNZBJAX-OAHLLOKOSA-N 410.482 1.218 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1740995224 DUEMFPVFWHPLOV-BEFAXECRSA-N 409.556 1.720 30 10 HDEE CCOCCn1c(-c2ccccn2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1747358462 QNENSXGHOAJYCN-MRXNPFEDSA-N 419.493 1.753 30 10 HDEE CN(C)C(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1747538063 DIQRXOGWMZWQLX-GOSISDBHSA-N 419.486 1.190 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)Br)cn1 1748012913 FPZXUAIBXFNRTN-SNVBAGLBSA-N 402.203 1.395 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1748319424 MJZXFOFUIROFMC-FGTMMUONSA-N 411.462 1.356 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)CC 1748785164 MRDDMFSRMCYMTI-UHFFFAOYSA-N 421.505 1.613 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CC1(N2CCOCC2)CC1 1748848559 JJTWZWRFNGZXMW-UHFFFAOYSA-N 407.493 1.946 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1748922627 GDCCXXVLJFNQMF-QFIPXVFZSA-N 422.489 1.457 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCN1CCc2ccccc2C1 1748963035 WZMXWIGKDVEIAV-OAQYLSRUSA-N 409.534 1.926 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1749001199 LNZBLYPEAHEXQB-RBUKOAKNSA-N 400.527 1.143 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1749037920 KAKSTZBVNNDJLG-HNNXBMFYSA-N 404.540 1.316 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1749664643 VIKJUCDUBXJNEV-QYWGDWMGSA-N 412.494 1.415 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCO1 1749735865 CBSAJFRJQDESMP-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)[C@H]1CC 1749738561 PXPHDVMSNHHMSU-HZPDHXFCSA-N 409.556 1.626 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(CCC(N)=O)CC2)nnc1C(C)(C)C 1749739559 GHLKBZRTAPGVTH-UHFFFAOYSA-N 411.572 1.658 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749754324 KJWKBCFQRARDQY-HZPDHXFCSA-N 420.583 1.889 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1751093994 BTQSTWCSPHDRLY-NEPJUHHUSA-N 413.454 1.558 30 10 HDEE C#CCCCCn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1760131206 PKHSKRJAXLWNMN-UHFFFAOYSA-N 400.527 1.330 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1760137910 YZQZLQCIOQERSR-DNVCBOLYSA-N 405.524 1.048 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1cccnc1N1CCOCC1 1760163765 BANGDWZOAFAXPF-KRWDZBQOSA-N 414.510 1.351 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCCCN(C)C)cc1 1760172371 ZDAXNCLQYOJULG-LJQANCHMSA-N 410.522 1.677 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760180653 IVQNRQMLWKUAEH-WMZOPIPTSA-N 424.567 1.819 30 10 HDEE C#CCN(c1nnc(C)n1CCn1c(C)nc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1760181251 RJJIBNSSSWMPNU-QGZVFWFLSA-N 412.519 1.572 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncccc1C 1760249150 IJVAWGZTXQCDCZ-INIZCTEOSA-N 403.508 1.018 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCCC[C@@H]2CC)CC1 1760260565 XNJNIMDIHJVAEZ-RBUKOAKNSA-N 413.570 1.249 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCCNS(C)(=O)=O 1760296618 UMJXJVLVAJLDTG-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1760366251 UQUYLAPMSFSYKG-XJKSGUPXSA-N 403.936 1.648 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1760522124 MDGJADDBFWIVPB-IRXDYDNUSA-N 414.514 1.134 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2CCCn2cnnn2)C1 1760546451 OQXMICZKKYZZHG-INIZCTEOSA-N 400.512 1.789 30 10 HDEE Cc1cc([C@](C)(O)Cn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)c(C)o1 1761649326 CZAXZXZTSNLCRI-JOCHJYFZSA-N 420.473 1.871 30 10 HDEE Cc1nnc(N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1Cc1ccc(C#N)o1 1762619451 SPEQXSCYIQJYIF-GOSISDBHSA-N 422.489 1.661 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCNC(=O)C1CCC1 1764845092 NSFZRJJOZHRFJY-UHFFFAOYSA-N 409.494 1.682 30 10 HDEE CCN(CC)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cn1 1764934500 AZBBZRADJOAQKJ-DLBZAZTESA-N 424.509 1.247 30 10 HDEE CN(Cc1cnccn1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767143956 HYQPMBNHDMUVNN-HTXNQAPBSA-N 408.466 1.498 30 10 HDEE CN(CCn1cccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1767376781 RIFWQLDAXMXOAQ-AWEZNQCLSA-N 415.479 1.026 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCOC2)CC1 1771535566 QWADUSMHADXILY-IAGOWNOFSA-N 402.499 1.412 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc([C@H]2CCOC2)cn1 1772564417 XUJGHZQTQZTQAB-HOTGVXAUSA-N 420.539 1.203 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 1848837790 HMLVTPOHFDWWMM-ZDUSSCGKSA-N 406.398 1.325 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)CC2)cc1 1849561576 ZQKFHMPJODDKQA-QGZVFWFLSA-N 402.520 1.411 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@H]2CSc3nccc(=O)n3C2)NN1c1ccc(Cl)cn1 1851781552 UNPQUGGDWCEGGP-QWRGUYRKSA-N 404.883 1.742 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)[C@H]1CC(=O)CN1C(=O)c1ccc(F)cc1 1852018951 JGOOWKKXWKOBSS-CQSZACIVSA-N 423.326 1.878 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)COC1(C)C 1852095791 SGKAFHHZQSQZPP-CABCVRRESA-N 418.450 1.989 30 10 HDEE C[C@H]1NC(=O)[C@H](CC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)NC1=O 1852919110 GKQUNEDPWBAMFK-PELKAZGASA-N 403.744 1.042 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2nc(-c3ccccc3)ncc2S(C)(=O)=O)CC1=O 1853333797 WGZDXCUAHFFFTN-AWEZNQCLSA-N 400.460 1.520 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@H](F)[C@H](OC)C3)ccc21 1853626695 DZBUIZUKHDIZCR-DOTOQJQBSA-N 410.467 1.816 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2cccc(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1853683055 RJJXMKXEKSZGHR-RBUKOAKNSA-N 415.490 1.310 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3C2)C(=O)C1 1853949209 ZROSUTDSYRWNEX-SFHVURJKSA-N 423.494 1.723 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cncc(N3CCCC3)c2)C1=O)[C@@H]1CCN(C)C1=O 1854194879 WWWHPOSLXNHGQA-MOPGFXCFSA-N 411.506 1.142 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@H]1C 1854256397 NNTQVGKZTXWOLF-NVXWUHKLSA-N 423.510 1.614 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCN(Cc2ccc(C#N)cc2F)CC1=O 1854274706 PNSZHGDTLKZJSX-UHFFFAOYSA-N 415.446 1.585 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(Cn4cccn4)CC3)CC2=O)CC1=O 1854562871 DEIIAJYQHJOBOK-MOPGFXCFSA-N 413.522 1.005 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)Cc3cc(-c4ccccc4)on3)C(=O)C2)C1 1855037642 ANGYQXBVHKKTBW-LJQANCHMSA-N 407.474 1.543 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2nccnc2N2CCOCC2)C1 1855424287 NVWKWYFHYUETHA-ROUUACIJSA-N 413.522 1.733 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC[C@@H](Cn4nccn4)C3)CC2=O)cc1C#N 1856168579 LJBSZXBKGXVQKJ-MSOLQXFVSA-N 406.490 1.859 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3C[C@@H](C)[C@@H](COC)C3)ccc21 1856935772 LOAZNYQFGOUNKQ-GDBMZVCRSA-N 406.504 1.972 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@H]1CCN(C)C1=O 1857053807 VTJJMVVBJAUDDZ-UXHICEINSA-N 408.502 1.585 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1857237068 UFTZVQUNJDWTRF-MAUKXSAKSA-N 419.909 1.813 30 10 HDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](C)O[C@H](C)C1 1869930053 RYXFWWVKETVOTJ-NFAWXSAZSA-N 411.549 1.483 30 10 HDEE Cc1ccc(-n2nc(N(CCO)CCO)nc2NC(=O)c2cccc(C#N)c2)cc1 1869955496 QFZSQHKQLWIRFB-UHFFFAOYSA-N 406.446 1.491 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CSc1nccn1C 1870301820 XGTCDWCGHDJXKN-INIZCTEOSA-N 418.519 1.734 30 10 HDEE C#CCOc1cn(Cc2ccc(O)cc2)c(CN2CCC3(CC2)OCCO3)cc1=O 1870561383 KVJQDZGTZHTROR-UHFFFAOYSA-N 410.470 1.953 30 10 HDEE CCOc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)NCC#CCN3CCOCC3)n2)cc1 1890032122 XKXZZHCBBCXLBW-SFHVURJKSA-N 424.501 1.322 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C1 2012309166 IRXZBUUCTDBJJZ-LZPWWVKNSA-N 422.331 1.955 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNc2ncc(Br)cc2C#N)(C(N)=O)C1 2043958734 BZOIGFNIDZGINE-UHFFFAOYSA-N 410.272 1.850 30 10 HDEE C[C@H](C#N)OCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074666538 BYJGBFCLYYDPCE-UKRRQHHQSA-N 412.464 1.488 30 10 HDEE C=CCC1(NS(=O)(=O)N2CC(C(=O)O)C2)CCN(C(=O)OC(C)(C)C)CC1 2164299106 FIYILBQZACNANE-UHFFFAOYSA-N 403.501 1.183 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)[C@@H](CO)C1 2174777617 MJNKSYGSFKGRAE-CYBMUJFWSA-N 415.899 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 2201717761 DLBWDHXITJAXOC-UHFFFAOYSA-N 415.899 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2217469523 TWUWVQWHYOWDJC-UHFFFAOYSA-N 419.331 1.587 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)CO1 2243406390 XVIQVHNDQRGXGV-GFCCVEGCSA-N 408.260 1.860 30 10 HDEE COCC1(NC(=O)OC(C)(C)C)CC(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243428044 FKHXJZFCDOXQKM-UHFFFAOYSA-N 408.304 1.810 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247823969 STRCBIVBTNXVPN-QGZVFWFLSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2ccoc2B2OC(C)(C)C(C)(C)O2)C1 2247863533 SJBINFPELSTNKX-KBPBESRZSA-N 422.287 1.289 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258166625 XPULIPNIGLAZDM-IAGOWNOFSA-N 408.476 1.477 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CC[C@H](N)C3)cc2Cl)OC1(C)C 2267710684 ZIXDIANCRZAERI-VHSXEESVSA-N 406.766 1.859 30 10 HDEE C[C@H](C#N)C1CCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270532833 ZVBXJYVOTBUEJD-PBHICJAKSA-N 423.491 1.567 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](N)C(F)(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282311757 MXINTEASWAWJMP-SECBINFHSA-N 414.280 1.524 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@]3(CCO3)C2)OC1(C)C 2282494812 CTCYXVDWORESTF-MRXNPFEDSA-N 400.331 1.137 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282499978 HBQPQEDWQNTVQP-CANCMXDXSA-N 401.359 1.172 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)CO 2282509725 OFACCGPCFOHETR-GFCCVEGCSA-N 403.375 1.874 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3[C@@H]4COC[C@@H]34)cc2Cl)OC1(C)C 2282829786 KHORRLUQQCALKY-QWRGUYRKSA-N 419.761 1.871 30 10 HDEE CNCC[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282830438 UORDRGJTUQGDHZ-LBPRGKRZSA-N 402.753 1.916 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2C[C@@H]2C(F)F)OC1(C)C 2282832278 MMYWJUGBHKARJD-ZJUUUORDSA-N 408.301 1.763 30 10 HDEE CN1CC2(CCN2S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282835527 WBPMOVFHYDIYCY-UHFFFAOYSA-N 418.777 1.779 30 10 HDEE CC[C@H]1C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282841844 QGNNFEMMVLHURH-RYUDHWBXSA-N 402.347 1.429 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCC1 2282847771 DUUOMIJBQUOGLP-RUZDIDTESA-N 419.399 1.627 30 10 HDEE CC1(C)C[C@@H](CO)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849312 ZMJFSUUNODHWJF-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1N 2282853847 KCZBTWCCYWIMPH-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CCN1CC(CN(C)S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282884841 UBQSSPCTEROZSU-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CC2CC2)C(=O)O)OC1(C)C 2284394986 GDZVIRIHYHANEY-LBPRGKRZSA-N 401.315 1.579 30 10 HDEE C[C@H](C(=O)O)C1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284396778 YLVSKMRSWQHAAS-JTQLQIEISA-N 401.315 1.389 30 10 HDEE CC(C)[C@H](C(=O)O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284397352 LIAMBMXCZBNCAQ-CYBMUJFWSA-N 403.331 1.777 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2C[C@H](F)C[C@H]2C(=O)O)OC1(C)C 2284399940 PWADUSMOFHVGBM-KOLCDFICSA-N 405.278 1.233 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@]2(C(=O)O)CC2(C)C)OC1(C)C 2284403128 NVGMLWILPNUKBU-INIZCTEOSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCc2csc(CN)n2)OC1(C)C 2286721858 OHEZZMDJXDEAIT-UHFFFAOYSA-N 415.371 1.441 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NCC(F)(F)C1(O)CN(C(=O)OC(C)(C)C)C1 2288515863 AWPKMHUDRLZKRA-LBPRGKRZSA-N 411.471 1.319 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CC1 2319409637 WPDIFRRZWPFLRU-KRWDZBQOSA-N 406.504 1.058 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1ccc(O)c([N+](=O)[O-])c1 2330971310 RBJLJUDBTARWMH-ZDUSSCGKSA-N 407.408 1.891 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs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c2ccc(OC(F)(F)F)cc2)CC1 22812982 YQSHUMOTLFLEQQ-AWEZNQCLSA-N 414.428 1.832 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)cc1 109020113 YPLLARFOMAKELR-KRWDZBQOSA-N 417.462 1.073 30 10 HDEE CCN1CC[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc(Cl)c(F)c1 301997448 UGVXUIBKCVSWLM-HOTGVXAUSA-N 405.861 1.996 30 10 HDEE CCOC(=O)CCS(=O)(=O)NCc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404938626 OSTXOXFGKZPSFC-UHFFFAOYSA-N 403.331 1.420 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C[C@H]1CCCN(S(C)(=O)=O)C1)NCC 407674120 VGXDPYAVIJIJNC-IXDOHACOSA-N 401.573 1.943 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)O)C[C@H](OCC)C2(C)C)c1 439714390 BHTRTGSQDKRFGX-HNAYVOBHSA-N 410.492 1.539 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C#N)c(O)c4)CC3)C2=O)n(C)n1 443117747 LPLNISAJLNEZBF-SFHVURJKSA-N 422.489 1.259 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)C2)cn1 466047031 YRBLIDVSXOVBBM-KRWDZBQOSA-N 411.485 1.931 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCc3nc(-c4ccncc4)no3)CC2)c1C#N 471710404 BDMWSKDSNBBVMA-UHFFFAOYSA-N 406.450 1.327 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)S(=O)(=O)CC3(C#N)CCC3)C2=O)c1 477589384 ILCCIAVPAIGLOP-KRWDZBQOSA-N 407.492 1.765 30 10 HDEE CCn1cc([C@@H]2C[S@@](=O)CCN2S(=O)(=O)Cc2ccc(C#N)cc2F)cn1 486648199 CULKISZOKAFMCQ-QLXKLKPCSA-N 410.496 1.549 30 10 HDEE Cc1ccncc1N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CC1 500689749 WEYDRTRMRRMQCE-MRXNPFEDSA-N 413.503 1.277 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)cc2)CC1 500836274 NEYFNOCAADEPGO-GOSISDBHSA-N 403.504 1.508 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CC(=O)NCC(F)(F)F)cc1 502079058 HODGGJIAGWHBMO-GFCCVEGCSA-N 400.382 1.467 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CCOc4ccccc4)n3C)CC2)c1C#N 508441796 MGANMNRZYKDOKN-UHFFFAOYSA-N 406.494 1.677 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 542337463 HHSSLQXNAPDDMO-LJQANCHMSA-N 413.566 1.940 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 544641821 PRHQQWFAIFFPIF-MRXNPFEDSA-N 416.448 1.270 30 10 HDEE N#CC1(CS(=O)(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CCCC1 546778383 YPFXGCBSGKMYPO-OAHLLOKOSA-N 417.487 1.397 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[S@](=O)C(CC)(CC)C1 549698589 IRVPCQRJRDZSLI-RXBISOJRSA-N 417.601 1.592 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCO1 549891678 PXGPIUJIENLTEM-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)c1cc(Br)cc(C#N)c1 551226217 IVXLYMUTFDWPQO-TZMCWYRMSA-N 405.314 1.757 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(N3CCC[C@H](S(=O)(=O)N(C)C)C3)c2c1 557697590 FDPCVGAGKCHPLI-HNNXBMFYSA-N 404.492 1.984 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN(Cc2ccccc2)C1 564506402 UYEGMYZVMZWHSE-LJQANCHMSA-N 412.515 1.569 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 569298637 NSYWZLVZYKZZIA-SFHVURJKSA-N 405.462 1.375 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2ccc3c(c2)OCCCO3)CC1 623117138 QHMQERRJTWZSDH-MRXNPFEDSA-N 402.495 1.095 30 10 HDEE C=CCn1c(-c2cccn2C)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 669816830 KBPJHCPICUMUMX-PXNSSMCTSA-N 411.554 1.849 30 10 HDEE C=CCn1c(O)nnc1S(=O)(=O)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 671193773 MXNRWCYFTDWWJB-AWEZNQCLSA-N 404.492 1.771 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)NCc1ccc(C#CCCO)s1 703969300 KSFZTOWWJVTDEN-UHFFFAOYSA-N 418.496 1.198 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@@H]2CNC(=O)N2)n(Cc2ccc(F)cc2)c1C 732364557 XEPQMEXOHMPRTP-INIZCTEOSA-N 413.409 1.327 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1OC(F)F 732678195 VSQBFGRCALVDBZ-CQSZACIVSA-N 408.405 1.225 30 10 HDEE C#CCN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@@H]1CCS(=O)(=O)C1 733135748 JPTYAXMCZWIWOF-VXGBXAGGSA-N 417.314 1.761 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 741217889 IVEQQMOYUCJRTO-IAGOWNOFSA-N 423.435 1.972 30 10 HDEE CCOC(=O)[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742108317 BEXCBNORSZOQBD-INIZCTEOSA-N 415.471 1.188 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)c1ccc(C#N)cc1 745109761 RZVGWJZYFJGEDY-MJGOQNOKSA-N 406.394 1.835 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@H](C)OC(=O)[C@@H](NC(=O)C(C)(C)C)[C@H](C)O)CC1 745693012 AYKOAKAQMYTKBD-WOVJRVSISA-N 409.527 1.761 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NCc1cc2c(cc1OC(F)F)OCO2 756984092 CFYVLDAYTUGOQN-MSUUIHNZSA-N 409.345 1.549 30 10 HDEE CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 757295233 STXOFVZWTTZUEZ-XNWJVHIKSA-N 407.517 1.762 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(c2ccc(S(N)(=O)=O)cc2)CC1 757846166 JJVGEXXFTKDWFH-SFHVURJKSA-N 410.540 1.954 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)no1 758752407 BSLHESDIANOTJZ-RDBSUJKOSA-N 406.443 1.220 30 10 HDEE Cc1sc2ncn(CCC(=O)NS(=O)(=O)CC3(C#N)CCC3)c(=O)c2c1C 771081454 YLZIXFRRLHTIMZ-UHFFFAOYSA-N 408.505 1.605 30 10 HDEE Cc1cc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc(OCCO)c1 773732734 SHRIIRJWUIGUER-UHFFFAOYSA-N 417.487 1.824 30 10 HDEE C#CCN(C(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774225432 JKMADXBPXKYOOZ-UYAOXDASSA-N 418.563 1.029 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 775238763 VRHOHVYQTLCUDA-IAGOWNOFSA-N 423.558 1.404 30 10 HDEE CN1C(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCCC2)C(=O)C12CCCCC2 779318959 SDAIEARCKRVCSZ-UHFFFAOYSA-N 410.496 1.113 30 10 HDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2ccc(-c3cc[nH]n3)o2)CC1 788428705 VFONIXFUJQWUTI-UHFFFAOYSA-N 415.479 1.447 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)n1 789041092 XCTWTMKGSNMETP-FXAWDEMLSA-N 409.490 1.868 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@H](C)C(=O)NCCF)C1=O 799861840 LWFQNNVQBKMAPZ-BXUZGUMPSA-N 405.455 1.100 30 10 HDEE N#CCNC(=O)COC(=O)c1cc(Br)cc(I)c1 803863776 AKSYVUFJCICVDF-UHFFFAOYSA-N 423.004 1.850 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CNC(=O)c2ccsc2)c(=O)c1C#N 816409776 BOXDAZVERFIPSD-UHFFFAOYSA-N 409.265 1.661 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1131407524 GXRLWVWMZSCGPF-UHFFFAOYSA-N 424.427 1.858 30 10 HDEE COC[C@]1(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1131766631 UIQFQBPOVCWJOE-FQEVSTJZSA-N 421.519 1.223 30 10 HDEE C=C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)c1ccccc1 1136244595 HVWIKPVNFRSMFK-IBGZPJMESA-N 414.531 1.619 30 10 HDEE CCCN(C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1)[C@@H]1CC(=O)N(C)C1=O 1138874471 FIOGAOLUJQRQRU-QGZVFWFLSA-N 414.311 1.904 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 1144422319 IQGXAPXUOVBLKW-HXUWFJFHSA-N 412.511 1.913 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(Cl)s1)C(=O)OCC 1151574985 XOCWBSFFRFVHRG-SECBINFHSA-N 415.320 1.870 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCOC[C@@H]1C[C@@H]1CCCO1 1179428602 VREABVPOYMSIDH-XIRDDKMYSA-N 407.492 1.022 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1188522346 GPAXRUMKOYLGMG-AZUAARDMSA-N 421.519 1.979 30 10 HDEE COc1ccc(NC(=O)CN(C)Cc2cc(C#N)cs2)cc1S(=O)(=O)N(C)C 1198195403 XCSWRLOATKUZPR-UHFFFAOYSA-N 422.532 1.949 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCc1ccc(N3CCS(=O)(=O)CC3)cc1)C2 1230799510 RAPFUGPQSUYZOW-HXUWFJFHSA-N 424.526 1.760 30 10 HDEE C#C[C@H](NC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1)C1CCOCC1 1231333687 ZLHJEQPVNXLELX-REWPJTCUSA-N 411.502 1.628 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCO[C@](C)(C#N)C1)Cc1ccc(C(F)(F)F)cc1 1252627657 XLHQQRBRVCSQOX-RDTXWAMCSA-N 412.412 1.934 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)CC1 1253161148 LAYZQSWIZFAAHR-UHFFFAOYSA-N 405.307 1.288 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1 1253779836 UPOIIUGUWLRTKJ-INIZCTEOSA-N 408.296 1.955 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(C)(=O)=O 1286303635 RFKFUXACRPIBBO-HNNXBMFYSA-N 400.508 1.288 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CCOC(C)C)CC1 1286335186 GONIFOSZKSGQHR-UHFFFAOYSA-N 402.543 1.475 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCNC2=O)CC1 1286358540 LUZIRJLSSMYCDG-WMZOPIPTSA-N 416.526 1.410 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(C(=O)NCC)CCC2)CC1 1286486055 GMQKBPPDZCOLMF-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCN(C)C(C)C)CC1 1286495307 YJBXRIVZGHCHKS-IBGZPJMESA-N 416.570 1.478 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286622967 NQNNTSYAGOJNNA-INIZCTEOSA-N 420.857 1.947 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1286786422 RPKLKFFDXLARKK-GOEBONIOSA-N 410.478 1.319 30 10 HDEE N#CCN1CCN(C(=O)c2cnn(-c3ccccc3)c2I)CC1 1293713414 XPXVPWOITQTJBA-UHFFFAOYSA-N 421.242 1.758 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C)C1[C@H]2CCC[C@H]12 1298134843 VPJJNARUIDTWIT-IRXDYDNUSA-N 414.535 1.943 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](COC(=N)O)Cc2ccccc2)cc1 1299379804 OKWQZBLGOJXCBA-QGZVFWFLSA-N 415.471 1.449 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)CCOC1 1299800546 CNSDCYILPHITBS-IBGZPJMESA-N 419.507 1.103 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1300007610 LATFLDVZUQBKNX-GOEBONIOSA-N 402.472 1.496 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1300481935 CSPYMFWFJWWJQG-SJORKVTESA-N 418.519 1.900 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1300488789 GTABIKHJFAVYNI-QGZVFWFLSA-N 414.531 1.795 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)COCCO1 1300559300 NWPHGCGLAGOXFF-FGZHOGPDSA-N 416.522 1.587 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)OCC)CC1 1300721906 COMOVFSZKWZACU-MRXNPFEDSA-N 416.526 1.010 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(C)C)C1 1300763448 PQMRNNMXSBOPSA-HOTGVXAUSA-N 412.581 1.408 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300989917 HHIYTYREUGCFBG-SFHVURJKSA-N 405.543 1.897 30 10 HDEE COCC1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1301291225 RVAHJSWAGMYAJD-ISLYRVAYSA-N 416.526 1.965 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1301478574 NCHPSWPZJLSXJO-QGZVFWFLSA-N 400.531 1.829 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1301491980 UBHUFCINVKGPMU-IAGOWNOFSA-N 410.522 1.929 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CC=CCO2)CCOC1 1303506916 RYAOZOMYSCCCHJ-FUHIMQAGSA-N 403.483 1.393 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(c2cc(C#N)nc(C3CC3)n2)CC1 1306920725 ZPKITNMJTJOULU-UHFFFAOYSA-N 402.480 1.732 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1308127636 GZOJGMCBFADFJW-ZRGWGRIASA-N 404.467 1.331 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)cn1 1313843521 HHEVTJUBISYPBS-UHFFFAOYSA-N 404.478 1.783 30 10 HDEE C=CC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OCC 1320419708 HMSKNZQSQCUGOT-BTYIYWSLSA-N 417.462 1.395 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)C1 1323715964 RZNZNVQOKFUVBU-HOTGVXAUSA-N 420.487 1.427 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCCCC1 1358900387 JDCOPYMMGPMFAU-AOIWGVFYSA-N 403.527 1.863 30 10 HDEE C=CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1359344302 SDFSCVVGOPBIBE-KRWDZBQOSA-N 419.526 1.878 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCn1cncn1 1359539849 XISVIDIDGZJDBE-UHFFFAOYSA-N 420.525 1.752 30 10 HDEE CN(CC(=O)N1CC[C@@](C)(C#N)C1)S(=O)(=O)c1ccc(Br)cc1 1437902412 RQQYZDADLCSCPJ-HNNXBMFYSA-N 400.298 1.832 30 10 HDEE C#Cc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1 1451442359 ONHPPIAMYKYHTF-UHFFFAOYSA-N 400.504 1.725 30 10 HDEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCOCC1 1453000461 ZOULEURNKIENMB-KRWDZBQOSA-N 408.520 1.999 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)c(OC)c(OC)c1)C(=O)OC 1454717328 MYRBAOCDVRDCBF-CYBMUJFWSA-N 400.453 1.313 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H]2CCCN2CC(F)(F)F)cc1 1455541548 HXYAPZOKUJWQMF-HNNXBMFYSA-N 403.426 1.616 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1sc(C(=O)OCC)c(C)c1C(=O)OCC 1460224796 YPMAZUPXRNZJAZ-ZDUSSCGKSA-N 408.476 1.682 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1462357733 RNRJGNYRZYPQKG-GOSISDBHSA-N 411.483 1.317 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N[C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CCO1 1463866730 HUBYXPSIGTYFPM-OWCLPIDISA-N 418.441 1.075 30 10 HDEE Cc1ccc(C(=O)Nc2ccc3c(c2)CCN(C)C3=O)cc1S(=O)(=O)NCC#N 1469891265 CJQUVTFWUNBJHP-UHFFFAOYSA-N 412.471 1.677 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](C(=O)NC(C)C)C2)ccc1F 1470529201 ZLLIGOINCJTZDQ-OAHLLOKOSA-N 411.499 1.667 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)C1 1475132309 OPWWOYZAQYEGQH-MRXNPFEDSA-N 402.538 1.482 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](C(=O)N(C)CC)C(C)C)c(C#N)cn1CCOC 1476379406 DQGMPBUIOSEDJV-HNNXBMFYSA-N 421.498 1.807 30 10 HDEE C#CCC[C@H](O)CNC(=O)Nc1ccc2c(c1Br)S(=O)(=O)CC2 1476939076 RJVPHSKYDFSVEZ-NSHDSACASA-N 401.282 1.675 30 10 HDEE Cc1nn(C)c(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1492721671 FWRANSDWGIKXJR-WFASDCNBSA-N 405.528 1.317 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C1CC1 1507661273 QKKVVMAQOBKLQW-QFIPXVFZSA-N 413.522 1.308 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@@H]1CCO[C@@H](C)C1 1507713773 WSLLRFXKCLUMFZ-ZWKOTPCHSA-N 403.527 1.692 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2cnn(CC)c2)CC1 1507717751 HZROPOXNLREJKS-UHFFFAOYSA-N 405.506 1.974 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C)CCOCC2)CC1 1507718703 GTXMBKFVVFSDJR-SFHVURJKSA-N 405.543 1.574 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1507753816 ISWWWEKGKCRNEB-QGZVFWFLSA-N 418.611 1.949 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1507792203 XKCDHTMDXPEFJF-KURKYZTESA-N 418.542 1.502 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@](C)(CC)C1 1508083748 BXVGZVZFGUZGEK-JOCHJYFZSA-N 423.521 1.824 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1508139467 AGKSOPZKBVARCU-KRWDZBQOSA-N 420.539 1.248 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCS(C)(=O)=O 1509950397 CZFDUQOONDPQGN-GFCCVEGCSA-N 415.479 1.377 30 10 HDEE CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1512634198 AJWVWBNKEYBDII-GJZGRUSLSA-N 412.560 1.643 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1517589745 XQPYMEAHNWGNNB-DLBZAZTESA-N 407.478 1.010 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1518630600 FJDFYAKCNSQADS-GUDVDZBRSA-N 424.505 1.789 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCc3cc(F)ccc3[N+](=O)[O-])CC2)c1C#N 1522361373 IIJXAFAZHZUOAG-UHFFFAOYSA-N 400.414 1.929 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCCC[C@@H]2CCCN2C(=O)OC(C)(C)C)C1=O 1533234913 ACDJPPAUMXRJLY-CQSZACIVSA-N 422.482 1.259 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NCCC 1538991864 FYMKAWLDDCPFLJ-HNNXBMFYSA-N 407.482 1.295 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H]1CCS(=O)(=O)C1 1539230411 HGIUJNZVAAIUHT-XLAORIBOSA-N 406.552 1.878 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1539231814 XAFDVRSUCSPRBO-UHFFFAOYSA-N 418.501 1.325 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCn2cc(C)nc21 1539331008 GLFYEGOYOXNNLD-IBGZPJMESA-N 419.533 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC1(C(=O)NCC)CCC1 1539331208 JGDZEOGLJNLGEH-UHFFFAOYSA-N 410.522 1.170 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)CCOC)CC1 1539441683 TXLAIFGGKYZLLG-UHFFFAOYSA-N 407.522 1.150 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCc2cn[nH]c2)CC1 1539459480 HPOBJTMISRXAGZ-UHFFFAOYSA-N 405.506 1.621 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539639928 CVCOCKUQISRXJM-PZTGFMGMSA-N 419.526 1.223 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1539759831 LOCKAFGLPKHFIA-NQIIRXRSSA-N 421.542 1.628 30 10 HDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539998384 HFUVDLHCDHTGLJ-HZPDHXFCSA-N 402.499 1.959 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC 1540153550 IGTNPUQPYNVZKP-UHFFFAOYSA-N 403.508 1.663 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1540557679 HUDDIQAMUNXGOW-UHFFFAOYSA-N 408.329 1.012 30 10 HDEE Cn1cnnc1C1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1540715155 HQNUAKTYCXBKCP-KRWDZBQOSA-N 421.461 1.298 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCCC)CC1 1540869370 KPANZDMKBLNXPP-HOTGVXAUSA-N 404.515 1.317 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540870625 RKWYKGMLHNEOQN-GOSISDBHSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540876334 OBWBPRZVWOVAFO-LEWJYISDSA-N 416.526 1.751 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1540920519 XZZCZLVMFMXJDS-UHFFFAOYSA-N 420.564 1.515 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1541991163 UZCRGBDTLKFXKF-AUSJPIAWSA-N 415.498 1.290 30 10 HDEE N#Cc1c(CCCNC(=O)/C=C\CN2CCOCC2)nn(-c2ccc(F)cc2)c1N 1543677834 BCEWLZDJEFCEDJ-RQOWECAXSA-N 412.469 1.402 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1543734075 CZRODLNNYGAXRA-JJXSEGSLSA-N 406.483 1.825 30 10 HDEE C[C@@H]1CCC[C@@]1(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1543922368 DTFKCPFHUWCFGM-JSNMRZPZSA-N 413.457 1.918 30 10 HDEE N#Cc1cc(NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1545718524 KEZBZYMPTCSUMP-GJZGRUSLSA-N 410.396 1.772 30 10 HDEE COC[C@]1(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CN(C(=O)OC(C)(C)C)CCO1 1546286698 NXTWLHBTOSQEQD-UWJYYQICSA-N 424.542 1.331 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)C1=O 1554354310 NYBYWLMZTKJMDS-OAQYLSRUSA-N 404.478 1.665 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](CO)[C@H](O)C1 1556178477 UCYYLRQNJTZDJM-BHIYHBOVSA-N 415.490 1.594 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccc(I)c(O)c2)CC1 1556586292 RRYCDUVAISBSBU-UHFFFAOYSA-N 414.199 1.916 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 1557770851 XUUNUJQFECYBML-KRWDZBQOSA-N 407.536 1.963 30 10 HDEE COC(=O)c1nc(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)ccc1Cl 1565044797 ULRQRUXKJOOXGQ-UHFFFAOYSA-N 414.853 1.820 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1565156264 GNFGVWQKDMNFMO-ZDUSSCGKSA-N 401.435 1.019 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@H]2COCCN2C(=O)OC(C)(C)C)n1 1565188792 JVGIABXZALYKAE-KRWDZBQOSA-N 405.499 1.684 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 1565628239 NAVWEWJRQLMEQY-BEFLLNMZSA-N 418.519 1.758 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1570662110 QUEYUXHAZQJDBQ-QGZVFWFLSA-N 419.547 1.709 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)CCCOc1ccc(C#N)cc1OC 1586461034 FFXUSFYATUPKCL-CVEARBPZSA-N 418.446 1.679 30 10 HDEE N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1586653601 KZTKFGXSQRMHQR-JKSUJKDBSA-N 409.471 1.894 30 10 HDEE C#CCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893728 HOCMIBPSIKYMQQ-NRFANRHFSA-N 401.511 1.543 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCn1cc(C)cn1 1588185121 BSORNVTWFSLWNN-JOCHJYFZSA-N 410.522 1.987 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1588263398 UFINNTUQBHTKEE-UHFFFAOYSA-N 403.446 1.532 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCO[C@@H]2CCOC2)CC1 1588811500 KVOKLZALZWLJJQ-MOPGFXCFSA-N 403.527 1.471 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1588843720 FKUXHCFOGZXHCP-HUUCEWRRSA-N 416.565 1.731 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1595291823 RMTDCRULGXIGPP-MRXNPFEDSA-N 405.524 1.946 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1595381806 XDCZWBLSOUVMIJ-UHFFFAOYSA-N 406.450 1.463 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2cn[nH]c2)C1 1595673029 FCGXGQSRVOGGEV-INIZCTEOSA-N 408.466 1.673 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCC[C@@H](C)C2)C1 1595723530 XPMPAULSJIBGBI-KZNAEPCWSA-N 402.543 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)N2CCC(C)CC2)CC1 1595760586 QHJRIAPNXHIPRK-UHFFFAOYSA-N 423.583 1.662 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](Cc2ccc(F)cc2)C(N)=O)c1 1597713645 WPMNXFUDPXIPAI-ZDUSSCGKSA-N 421.425 1.336 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)COCC(F)(F)F)s1 1598043138 LMRVRWAXZDOHAE-SNVBAGLBSA-N 400.444 1.839 30 10 HDEE O=C1CN(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCN1 1598483718 OUSHQHROTZEMEX-HTQZYQBOSA-N 409.277 1.048 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1603400556 GJCFKHHOCMTHKJ-KGLIPLIRSA-N 401.220 1.429 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(N)=O)cc1 1611313309 BGKVIFHTUCHSDB-CQSZACIVSA-N 410.482 1.678 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc(OCC)ccc21 1614154590 WUWWFBQCWFGLLR-QBNCKDSPSA-N 421.544 1.976 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1619980317 HRBOWMWHHQCPRS-OAHLLOKOSA-N 412.494 1.889 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(Cc4nccs4)CC3)CC2)o1 1620477897 ZTYOIIBAGRIDMK-UHFFFAOYSA-N 414.535 1.915 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1622925438 JKAMQLHIFZPLEN-PYCFMQQDSA-N 418.519 1.882 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1629811177 GQNWJCLMXYJMDP-KZULUSFZSA-N 414.443 1.089 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCNC2=O)cc1 1630687249 NCLUZGGLYDBUOE-OSEFQUDUSA-N 406.508 1.744 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C2)nn1 1631479868 NQNHBSCDNJCEKG-HNNXBMFYSA-N 420.514 1.347 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H](COC2CCC2)C(=O)OC)cc1 1631695940 DXSFVQIUBDTCIA-QGZVFWFLSA-N 410.492 1.334 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)c1 1631807577 LVORUQPRDPKGNX-UHFFFAOYSA-N 406.414 1.619 30 10 HDEE C#CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccccc1 1632035268 QWJXYJATDCVHLI-SFHVURJKSA-N 420.512 1.249 30 10 HDEE COC(=O)N[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)C(C)C 1632252800 DRVRVIAQMCONDN-IBGZPJMESA-N 410.478 1.978 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCc2nc(-c3ccccc3)ncc2C1 1633522915 UFVYXAQBCZDNBR-KRWDZBQOSA-N 400.504 1.901 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CCCN1Cc1ccccc1)c1cc[nH]n1 1633889394 QAMPCBYZGKTALT-KRWDZBQOSA-N 413.478 1.474 30 10 HDEE C#CCN1CCC(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1635166654 SMVNXVPDQKOZFB-JQHMZKTJSA-N 400.523 1.987 30 10 HDEE Cc1cnc(C2(NC(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CCOCC2)[nH]1 1636056089 QTWKVZUQQVBMGE-CQSZACIVSA-N 417.491 1.079 30 10 HDEE C=CCn1cc(C(=O)NC[C@H](Oc2ccc(Br)cc2)C(=O)OC)nn1 1636265085 PPZYDEUSIXMXAQ-AWEZNQCLSA-N 409.240 1.577 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](c2nccs2)C1 1636755731 GNIQVPXBLQLJRQ-ZDUSSCGKSA-N 404.517 1.978 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c1 1637915514 DMHXRJJLQIIMPZ-QUCCMNQESA-N 401.484 1.698 30 10 HDEE C#CC[C@@H](NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1)C(=O)OC 1638827944 ZELRJHHPEVYFPJ-QGZVFWFLSA-N 406.504 1.051 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC4(CCOCC4)CC[C@@H]3CO)CC2)o1 1638915475 KJZKELOOAJDKJC-QGZVFWFLSA-N 402.495 1.851 30 10 HDEE C#C[C@@H]1CCCN(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])C1 1639241155 XDYDIVVLJDBBKF-OAHLLOKOSA-N 423.491 1.876 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2([C@H](C)NC(=O)OC(C)(C)C)CCOCC2)C1=O 1639593712 AFCAFMCBAOQCBM-HOTGVXAUSA-N 409.527 1.942 30 10 HDEE COC1(OC)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H]1O 1639791870 SJZCCDCVKWBHOC-MRXNPFEDSA-N 424.295 1.339 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)c2[nH]c3ccccc3c2C#N)C1 1641690951 YEHDKJTYCKSMHW-UHFFFAOYSA-N 423.473 1.991 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)c1 1643269918 JPHPGSWHSUQNMF-CQSZACIVSA-N 410.396 1.707 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1644128198 ZFAXNNOOQJUVAE-KGLIPLIRSA-N 413.471 1.384 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)C1CCN(C)CC1 1646421646 OJDOEJDQTPXNRC-GOSISDBHSA-N 407.518 1.971 30 10 HDEE CN1C[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)Cc2ccccc21 1648178315 XWLPETVGSULSAB-MJGOQNOKSA-N 417.469 1.941 30 10 HDEE COC1(OC)CCOC[C@H]1NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccco1 1648204870 WFPVKICEILVWTK-GOSISDBHSA-N 416.478 1.924 30 10 HDEE C#CCN1CCC(NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1652173677 XPSGWVZKVHCMLE-KRWDZBQOSA-N 416.526 1.678 30 10 HDEE C=CCC1(O)CCN(CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)CC1 1655634208 KGVPTSMNOLICDN-UHFFFAOYSA-N 423.535 1.934 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1662023345 BWNGEDFGYYLAIA-HNNXBMFYSA-N 404.510 1.113 30 10 HDEE C#Cc1cccc(CNC(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)c1 1668661677 UXZWUXCYXGAXBK-UHFFFAOYSA-N 419.441 1.870 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1ccc(OC)c(S(=O)(=O)NCCOC)c1 1677150160 DXKYDMMDXJDMKV-ZFWWWQNUSA-N 413.496 1.333 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)CC1 1681187714 FJJHQBNBMQTFDE-PMPSAXMXSA-N 403.483 1.869 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1682384338 BRGRFZCTFZVVFH-LJQANCHMSA-N 419.551 1.246 30 10 HDEE C#CCN(C(=O)NC[C@H](C)CN1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1684908647 JXNHUGHNRXKGSA-SFHVURJKSA-N 422.570 1.999 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CN(CC(C)C)CCO1 1689861258 RGLVUEUQKNZMOY-ROUUACIJSA-N 402.543 1.215 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1689929851 GCMIBJOKZARDRX-KRWDZBQOSA-N 417.539 1.102 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1689929928 HMLUWYJPZWTVBY-QGZVFWFLSA-N 406.552 1.991 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCC(=O)N(C)C 1689944477 RSOWIOILIGTBPL-UHFFFAOYSA-N 416.913 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1690045294 IOTZQJVYXOQNOW-QGZVFWFLSA-N 420.521 1.253 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1690309630 FVWZDVDPUXNRAD-OAHLLOKOSA-N 406.487 1.100 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCn1cccn1 1690666734 FDNOAMNPHMNBIT-UHFFFAOYSA-N 409.450 1.309 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(C)=O)CC1 1690719570 PJMZLGPLYKGWNV-UHFFFAOYSA-N 421.523 1.552 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1690903946 BWOXRBDDRGYCHK-KRWDZBQOSA-N 405.466 1.098 30 10 HDEE C[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1692704968 ORAWAJYAOCFJHC-INIZCTEOSA-N 418.509 1.278 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1697986666 KEZVUZAMBZKEGD-OAQYLSRUSA-N 414.510 1.268 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCn1cncn1 1698238515 LXRDZFWVWBBWOV-OALUTQOASA-N 422.493 1.802 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1705562980 OAUFKSIDYLFOFE-QZXCRCNTSA-N 424.548 1.242 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(CCOC)CC1)[C@H]1CCS(=O)(=O)C1 1705565704 JKJRYQBZBAUJJS-INIZCTEOSA-N 417.535 1.717 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705739263 AIHUNIBIQPTDOJ-QZTJIDSGSA-N 413.526 1.447 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccc3F)n2CCNS(C)(=O)=O)CC1 1705783776 UJTGRZDDABKVAS-UHFFFAOYSA-N 407.515 1.960 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1705785951 BXYGAJRAGJHULS-SOUVJXGZSA-N 424.571 1.205 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705789736 VLAOTVCSDUTQAD-UHFFFAOYSA-N 406.494 1.994 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)C(=O)NCC)C1CC1 1705855244 YUXBSFPNWMYQBL-CQSZACIVSA-N 409.556 1.497 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1CCN1CCCS1(=O)=O 1705874935 AOQIJTOITZKZDW-UHFFFAOYSA-N 422.580 1.848 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705907994 DVAKTIFFZXRNQN-LEWJYISDSA-N 419.526 1.239 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCCC2)CCO1 1712885129 ZVTKVCNXRZYNSO-MSOLQXFVSA-N 415.542 1.614 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722377541 AVMGLGGPSAWYCR-OAQYLSRUSA-N 418.545 1.961 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccco1)N(C)C 1722388311 ZECVDHKKLWDFCE-SFHVURJKSA-N 408.506 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCO[C@H](C)C1 1722389865 NAGOBHUMGAJDDD-IKGGRYGDSA-N 407.540 1.166 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1OC 1722396509 ADGYQPLHMAZBTH-GOSISDBHSA-N 407.474 1.758 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1722413200 JKFNDTBVWUSNSP-SFHVURJKSA-N 424.530 1.874 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CCS(C)(=O)=O 1722417335 DMAZMVCQSCYRKR-UHFFFAOYSA-N 421.498 1.240 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1CCCO[C@H](C)C1 1722429302 PMOWRMCUNLZQKU-RTBURBONSA-N 405.543 1.369 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1722502845 AUDYIGJSFAPZNH-SZMVWBNQSA-N 412.494 1.273 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC)C1 1722504594 GXPDBQLBQHLHGC-JZXOWHBKSA-N 411.510 1.679 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)nn(C)c2C)CC1 1722560293 VABOZUYKUNBUTG-CQSZACIVSA-N 407.544 1.443 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722620110 JDHUBXZRDRPCGK-UWJYYQICSA-N 419.526 1.491 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CC(F)(F)CO1 1723925803 KHZIZDAACODPLW-WCQYABFASA-N 418.470 1.052 30 10 HDEE CCOCC(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1728969281 NIBRJRLKWYOPIQ-BBWFWOEESA-N 407.515 1.794 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CC[C@](F)(C#N)C2)C1 1729596900 NPJFJCYGTXRVPK-RBUKOAKNSA-N 415.429 1.362 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1729618512 WOTKZNFGBRFPSB-VQTJNVASSA-N 422.505 1.533 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)N1CCOCC1 1730850282 DZNJEGLWIXTRRJ-UEXGIBASSA-N 420.558 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCOCC1 1740543158 KAGONFBGNMQRFP-AWEZNQCLSA-N 411.462 1.414 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1740550114 HQIRTUIZPKBSRE-BZSNNMDCSA-N 407.584 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](F)C1 1740553005 QFDXOLGRNYRMQU-JONQDZQNSA-N 413.519 1.207 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740556553 IKINIDBUABXGPQ-PBHICJAKSA-N 421.461 1.175 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1740558425 VDFMOWFXWPCZDF-OAHLLOKOSA-N 416.507 1.126 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1740619562 KJBGOOQQZRFNTB-QGZVFWFLSA-N 400.504 1.608 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCC(=O)N1 1740656929 ROLINGSUZTYITP-LJQANCHMSA-N 405.502 1.813 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](COC)OC 1740677245 RWZKJXOQBKWKCB-ZWKOTPCHSA-N 415.469 1.670 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCCCS1(=O)=O 1740681685 BPFZPFXSCAMYGV-INIZCTEOSA-N 406.508 1.900 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2(F)CCC2)CC1 1740693014 SFFYWZVUSGPTMI-OAQYLSRUSA-N 405.518 1.968 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2csc([C@@H](C)OC)n2)CC1 1740695078 CRGQMNXDGGXEPI-OAHLLOKOSA-N 424.534 1.703 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCO[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964639 FXTFXDPTMZHTPM-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)C1CCC(NC(C)=O)CC1 1740991427 WMFNPXWPTBFTNI-UHFFFAOYSA-N 409.556 1.640 30 10 HDEE CN(CCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1747931413 FWSDEUGQWZZEAL-UONOGXRCSA-N 402.421 1.395 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1748667090 MZHKPCTWSVFGDM-QFBILLFUSA-N 408.506 1.572 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1cc(Cl)cn1 1748784783 UGFOOIVSJSZKFG-UHFFFAOYSA-N 422.880 1.812 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1748916773 CUUANCLBFYPSJN-QGZVFWFLSA-N 409.899 1.003 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1749031739 HYHHGKBEYAAQGC-KRWDZBQOSA-N 400.552 1.941 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1749033644 KYHYHFDGICDTPR-UHFFFAOYSA-N 416.595 1.656 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CC=CCC1 1749096857 NROHAMKGRLGLJE-SFHVURJKSA-N 424.505 1.856 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cnn(C)c1 1749227055 ZIBXOBLCBIQFDU-UHFFFAOYSA-N 413.482 1.968 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccccn3)n2CCCNS(=O)(=O)CC)CC1 1749344047 ZRQVNZAXEWOIMF-UHFFFAOYSA-N 418.567 1.996 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1749457144 GRVDSBJFWDLASX-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccsc2)n1C[C@]1(O)CCS(=O)(=O)C1 1749578919 IUNTVWFHERZVIW-GOSISDBHSA-N 408.549 1.658 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1749680138 FBDYOCNRXAEYTK-OAQYLSRUSA-N 412.494 1.169 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnccn2)CC1 1749752114 INMPMNVQPVGKKA-UHFFFAOYSA-N 411.539 1.714 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](C(CC)CC)N1CCOCC1 1760205920 NACLGAWPTFZLJO-RTWAWAEBSA-N 413.566 1.992 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCc2cccc(C(=O)NC)c2)CC1 1760258675 AXSAFKMNEHWYOP-FQEVSTJZSA-N 422.533 1.140 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCN2CCC)CC1 1760259328 ACZSJEWFLKXAAS-LJQANCHMSA-N 408.554 1.755 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)C2CC2)CC1 1760263971 WSORAXDUCGWWRV-FHWLQOOXSA-N 403.527 1.182 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1760357506 JZGMEQMQRQMZSF-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1760357513 KKMZDIKCXMHIHE-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1760357971 PWXHETKVBKQMLQ-LPHOPBHVSA-N 410.540 1.390 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(SC)CCC1 1760465005 UZAZVLRJBBPSSR-AWEZNQCLSA-N 415.585 1.519 30 10 HDEE C[C@H](Cn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1761418079 AKOMTTVBFLTIBV-NVXWUHKLSA-N 402.524 1.380 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1)OC 1769236615 AENRTGJTGGCIKP-GOSISDBHSA-N 410.478 1.289 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC(F)F)C1 1770726163 BMVUCLIWRHNDRY-QGZVFWFLSA-N 409.372 1.649 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CC1=O 1771147609 KEAUORHEJPQWFL-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE COc1ccc(-c2cc(=O)n(CC(=O)NCC#CCN3CCCCCC3)cn2)cc1 1850141192 HBOVRPVQPVXJQS-UHFFFAOYSA-N 408.502 1.915 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)COc1ccc(I)cc1)CC2 1850828202 YPXKYHCNGNEUGC-UHFFFAOYSA-N 408.199 1.850 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CSc4nccc(=O)n4C3)CC2)c(Cl)c1 1851344024 HFSRKOPSAYYFIX-CQSZACIVSA-N 415.906 1.839 30 10 HDEE C[C@H]1Oc2ccccc2N(CC(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)C1=O 1852041415 XVKRSMKQBZTXEF-SNVBAGLBSA-N 419.381 1.671 30 10 HDEE O=C(c1cn(-c2ccncc2)nn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852069339 KTPXBFAUZCSWDA-UHFFFAOYSA-N 402.358 1.537 30 10 HDEE C[C@@H]1NC(=O)[C@H](CC(=O)OCC#Cc2ncc(C(F)(F)F)cc2Cl)NC1=O 1852919113 GKQUNEDPWBAMFK-UFBFGSQYSA-N 403.744 1.042 30 10 HDEE N#Cc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(F)cc1F 1853318429 ZEARHFDNWDLKLD-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE COc1ccc(S(=O)(=O)N(CC(=O)N2CCO[C@H](C#N)C2)c2ccccc2)cc1 1853403185 VKNOTLNNEIPKLJ-GOSISDBHSA-N 415.471 1.641 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N(C)C)C2(C)CCN(C)CC2)c(C)c1 1853466327 DHKCHGZCLZMFLS-UHFFFAOYSA-N 424.567 1.732 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCC2 1853676515 NXAHSNSCGPZSTE-HNNXBMFYSA-N 402.520 1.525 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)Cn3cnc4c3CCCC4)C(=O)C2)cc1 1853822302 LKJZAVMRGAOGDW-UHFFFAOYSA-N 405.458 1.187 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN(CCN4CCCC4=O)CC3)CC2=O)c1 1853842724 NOGAAFCOAJTGED-HXUWFJFHSA-N 408.502 1.881 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854103524 HYOUAGFCJFAYAJ-LJQANCHMSA-N 419.547 1.867 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(F)cc2)C(=O)C12CCCCC2 1854413959 KTNSNKDSNMEUBP-UHFFFAOYSA-N 421.494 1.985 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cn3cnc4ccccc43)C(=O)C2)C1 1854957312 WIDOWOLAPBECOD-ROUUACIJSA-N 408.506 1.474 30 10 HDEE CC(C)Cc1ocnc1C(=O)N1CCN([C@H]2CCN([C@@H](C)CCC#N)C2)CC1=O 1854967158 KJPJEHHMYAYBBZ-IRXDYDNUSA-N 401.511 1.924 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)C3CN(C(=O)c4cc(C)on4)C3)C2)CC1 1855032582 DNFKAXWDANMKNY-INIZCTEOSA-N 400.479 1.328 30 10 HDEE Cn1cncc1C(=O)N1CCC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855135793 QTCMWIIUFDQKAK-LJQANCHMSA-N 407.474 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@H](C3CCN(CCC#N)CC3)CC2=O)C1 1856154572 GISJITHALWBGDH-MRXNPFEDSA-N 404.511 1.854 30 10 HDEE CC[C@@H](C)C(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127554 RZNMZINMGFJCPP-AEFFLSMTSA-N 402.539 1.882 30 10 HDEE Cn1nnc(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)c1C(F)F 1857290110 KJEDKJNLUACKNS-STQMWFEESA-N 406.437 1.757 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3nc(C)cc(C#N)n3)CC2)cc1Cl 1857970065 WQSUNPOIAXKVHG-UHFFFAOYSA-N 407.883 1.830 30 10 HDEE COc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccc(C#N)cc2)cc1S(C)(=O)=O 1866890778 QKEIMLNHTFMZNX-LBPRGKRZSA-N 401.444 1.727 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2Cc2ccccc2F)cc1 1870107549 NQYHASCSRQVNDQ-UHFFFAOYSA-N 414.422 1.961 30 10 HDEE CCCCCCCOc1cn(CCCO)c(CN2CCN(CCO)CC2)cc1=O 1870411735 LOYLYUXESMYEFF-UHFFFAOYSA-N 409.571 1.690 30 10 HDEE C#CCOc1cn(CCNC(C)=O)c(CNc2cc(NC(C)=O)ccc2C)cc1=O 1871011160 ZQZQXRKIFIILPD-UHFFFAOYSA-N 410.474 1.875 30 10 HDEE COc1ccccc1/C=N/n1c(SCC(N)=O)nnc1[C@H]1CC(=O)N(C(C)C)C1 1874337870 KXTNINUOLMMUDN-SLSPDHCBSA-N 416.507 1.471 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)CC(=O)N[C@@H](CS)C(=O)O 1885473917 DVQQGPVRLZBRIA-CABCVRRESA-N 412.508 1.986 30 10 HDEE CN(CC#CCNC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1)Cc1ccccc1 1891186566 XQMJWFGCWYEADE-UHFFFAOYSA-N 419.481 1.739 30 10 HDEE CS(=O)(=O)c1ccc2nc(N3CC(C(=O)N4CCC(C#N)CC4)C3)sc2c1 1892236008 JOYHCAAKNAWEPX-UHFFFAOYSA-N 404.517 1.898 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174783116 YIPFVLWASAUWJB-LSDHHAIUSA-N 402.517 1.081 30 10 HDEE CCC[C@H](C#N)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174820115 UKSXGMBNNADTGI-ASHKIFAZSA-N 401.533 1.865 30 10 HDEE CCC(C)(C)N(CCC#N)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2197779880 WNQLSVHKILJLSZ-CQSZACIVSA-N 401.529 1.951 30 10 HDEE CC(C)(C)OC(=O)NCCONC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243371418 CVUYJFYHRAWVET-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@]34C[C@@H]3CN(Cc3ccccc3)C4)[nH]n2)OC1(C)C 2247915789 JNWRCOLNXFGULG-OPAMFIHVSA-N 408.311 1.713 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247916749 DDTGZZPSRLQKNS-STQMWFEESA-N 420.319 1.742 30 10 HDEE CN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)C(=O)OC(C)(C)C 2247928379 BKVUIAGVLPUCCR-UHFFFAOYSA-N 423.323 1.101 30 10 HDEE N#CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258158423 LHDHLSATKYAKDT-VXGBXAGGSA-N 423.369 1.130 30 10 HDEE CC1(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CS(=O)(=O)C1 2267565144 XMDWWZJWAWQERR-UHFFFAOYSA-N 405.734 1.618 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@@H]3COC[C@H]3O)sc2Cl)OC1(C)C 2281968761 FWTXKPCWXLVWDH-ZYHUDNBSSA-N 401.721 1.828 30 10 HDEE COCC[S@@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282053195 SZOSGRGQTHXDJU-AREMUKBSSA-N 402.709 1.919 30 10 HDEE C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282334284 ZKQHBKZGYOHQGW-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1CCNCC1 2282337480 LNANEMIJMNFFEX-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CCN(CC1CN(C)C1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341231 PJZLQCWHVGEYLE-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282350480 NNYBKOGDQMJKRM-STQMWFEESA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CC[C@@](C)(N)C2)OC1(C)C 2282407807 CPETYDKBHITAIP-QGZVFWFLSA-N 400.737 1.751 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2282495016 GMEHZFSXWNYJKO-LDYMZIIASA-N 415.264 1.637 30 10 HDEE CC(C)C[C@@H](CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505198 ABOKEQXBCFWBHI-AWEZNQCLSA-N 402.391 1.840 30 10 HDEE C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282511622 NWCILFFDQLQGMF-JPQMIFPKSA-N 421.777 1.685 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@]4(CCN4)C3)cc2Cl)OC1(C)C 2282845136 NQVQELBLDSDSHE-MRXNPFEDSA-N 418.777 1.827 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](C(F)F)[C@@H](N)C3)s2)OC1(C)C 2282852222 MIWUQMUBZMQJTF-UWVGGRQHSA-N 408.301 1.260 30 10 HDEE CC(C)C[C@@H](CO)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852370 OJTMOWXYHOQUCH-CYBMUJFWSA-N 403.375 1.980 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCCNC3)c2)OC1(C)C 2282858501 XZYSPWBJZKMJPK-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CN([C@@H]1CC[C@H]1N)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282882404 LDRDDBMDNXGFFB-HUUCEWRRSA-N 400.737 1.749 30 10 HDEE COC[C@@](C)(NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284448090 WBTSUXBZQFCKJL-MRXNPFEDSA-N 403.693 1.920 30 10 HDEE C[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1ccc3c(c1)OCO3)C2=O)C(=O)O 2297475113 ZARAXMQQYGOQGM-NSHDSACASA-N 411.366 2.000 30 10 HDEE C=CC[C@H](O)[C@H]1CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2314235837 WBJLEWAWTHBOJD-JTDSTZFVSA-N 410.467 1.352 30 10 HDEE C#C[C@@H](C)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2315329052 CDBVRXPGEKPXJK-MRXNPFEDSA-N 403.504 1.032 30 10 HDEE CCOc1cc(C=Nn2c(S)nncc2=O)ccc1OCC(=O)N(CC)CC 2323022345 GAKSCZXNBJQHHF-UHFFFAOYSA-N 405.480 1.455 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC(C)(C)CN1C(=O)OC(C)(C)C 2367788575 ONGZOBQZIWEFSN-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2367808979 IORHUTJHMCSPKG-ZRGWGRIASA-N 400.541 1.306 30 10 HDEE C#CCOCCCCCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2370326266 RTRQIQYPBJHDIL-GOSISDBHSA-N 402.513 1.005 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C1(C)C 2372807870 ONCZHVWUZMUDPN-FZKQIMNGSA-N 402.513 1.514 30 10 HDEE Cc1cc(C(=O)/C(=C(/S)NCCN2CCOCC2)[n+]2cccc(O)c2)c(C)[nH]1 23603200 IUGDYRUBHCOLKB-UHFFFAOYSA-O 403.528 1.485 30 10 HDEE C=CCS(=O)(=O)CC(=O)Nc1ccc(S(=O)(=O)/N=C(\O)NCCCC)cc1 71530441 AUIOAIGEGUQKEL-UHFFFAOYSA-N 417.509 1.218 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CCn2cnc3ccccc3c2=O)CC1 238899618 RJCWBKIJWNENOG-WKILWMFISA-N 418.457 1.955 30 10 HDEE Cc1ccc(C(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1S(=O)(=O)NCC#N 427821805 XYYKDIFYDBTBGD-UHFFFAOYSA-N 410.455 1.901 30 10 HDEE Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)C(=O)NCC1(CC#N)CC1 430374408 BGBHYNWNQJVUKT-UHFFFAOYSA-N 400.504 1.933 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cnn(CC(=O)NC3CCCC3)c2)CC1 435335053 JHSBPRMJNSNRCY-UHFFFAOYSA-N 407.478 1.171 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4c(C#N)cccc4C#N)CC3)C2=O)n(C)n1 436360704 NLVVTCVZRFUHDP-LJQANCHMSA-N 403.490 1.789 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccc(O)cc4)CC3)cc2C1=O 436766068 ZLCDRIVCYQWWKB-UHFFFAOYSA-N 419.437 1.772 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 437488173 CSIXWNOZOFWOSF-APWZRJJASA-N 408.520 1.727 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)Nc1c(C(N)=O)c(SC)nn1C 444255296 ZCSXEEWJOCYMGL-UHFFFAOYSA-N 403.464 1.919 30 10 HDEE CCOC(=O)c1cnc(N2CCN([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)s1 464760831 KFBJCKKAMMDNOM-LIRRHRJNSA-N 407.540 1.885 30 10 HDEE COCCN(Cc1scnc1C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 470474553 RLGDKHSLLCLIAO-CQSZACIVSA-N 422.532 1.665 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NC[C@H]3CCCN(CC#N)C3)CC(=O)N2C(C)(C)C)cn1 480119752 SLZXYMORGNEJHO-HHXXYDBFSA-N 400.527 1.460 30 10 HDEE Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)Cc2ccc(C#N)cc2F)s1 480703505 ZOZOSFVMDVSGLX-UHFFFAOYSA-N 417.509 1.465 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F 508920801 JYYKWLKJOBPOMO-NSHDSACASA-N 418.445 1.755 30 10 HDEE N#Cc1cc2c(nc1N1CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC1)CCC2 515548186 MEZWIUULAJXVOH-UHFFFAOYSA-N 413.459 1.861 30 10 HDEE N#Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1=O 526674644 DRHACZBMFIMEFR-UHFFFAOYSA-N 402.819 1.641 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 527009995 KWBKLSZYKYYZOI-JKSUJKDBSA-N 404.467 1.640 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@@H]2CCCO2)c1=O 532799702 FRRFNLMLMMYYHB-HNNXBMFYSA-N 414.531 1.423 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 532799703 FRRFNLMLMMYYHB-OAHLLOKOSA-N 414.531 1.423 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)n1 536953490 GOYVPAJLBUGKIQ-UHFFFAOYSA-N 415.523 1.639 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2cn(C)nc2C(F)(F)F)CC1 539241554 XHSHXHDUTGQYMM-OAHLLOKOSA-N 400.449 1.563 30 10 HDEE CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 546207910 JBBLDBJPPCIJIR-IBGZPJMESA-N 405.458 1.806 30 10 HDEE CN(C)CCCNS(=O)(=O)c1cccc(-c2noc(-c3cc(C#N)cn3C)n2)c1 546350835 DKUYUJOVQMXDCX-UHFFFAOYSA-N 414.491 1.844 30 10 HDEE COc1ccc(NC(=O)Cn2cc(C#N)cn2)cc1S(=O)(=O)N1CCCCC1 550015081 UIFYRIVGFDJPOH-UHFFFAOYSA-N 403.464 1.577 30 10 HDEE O=C1NCCN(CC#CCN2CCNC(=O)[C@H]2c2cccs2)[C@@H]1c1cccs1 551393904 UGDBKQRRTXARIP-QZTJIDSGSA-N 414.556 1.459 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 554305903 WWABDNZYGONIOO-UHFFFAOYSA-N 409.490 1.785 30 10 HDEE C=C(C)Cn1c(-c2ccc(Br)cc2)nnc1N1CCO[C@@H](C(N)=O)C1 583037447 ULRMPZSUVLQTFA-CQSZACIVSA-N 406.284 1.974 30 10 HDEE C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 587425479 MBMLHWGNPXXPHV-UGFHNGPFSA-N 424.379 1.941 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1 604158700 FMFAJQLTYMHRHF-GOSISDBHSA-N 403.527 1.436 30 10 HDEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)NCc1ccc(C#N)cc1F 611001251 DFCOYWKNYFAXAV-UHFFFAOYSA-N 405.397 1.192 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)no2)c1 611114713 FQKPTMZNHJIMTG-UHFFFAOYSA-N 407.434 1.927 30 10 HDEE NC(=O)[C@H]1c2ccccc2CCN1CC#CCN1CCc2ccccc2[C@@H]1C(N)=O 671242142 SNZGNCIATBERBY-FGZHOGPDSA-N 402.498 1.159 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)OCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 729334256 KWHSBSSVWFDCSI-LJQANCHMSA-N 418.515 1.684 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 731064095 ROYFTHDHFLFKNA-GFCCVEGCSA-N 418.475 1.750 30 10 HDEE C[C@H](C#N)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 732111228 FXHAHTYUHMXRBA-LLVKDONJSA-N 416.297 1.359 30 10 HDEE COc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)c1 732706103 FLOGEHSPNYOMPR-GFCCVEGCSA-N 407.268 1.595 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(C2CCC2)C1=O 735224845 WWFJZBFPZRKYQW-QGZVFWFLSA-N 418.519 1.967 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CC1 743086464 LXJDVWPFIICADG-UHFFFAOYSA-N 419.913 1.919 30 10 HDEE CC(C)CN(C(=O)CON=CC(=O)Nc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 749752778 UTPYPFLFXRPMGI-MRXNPFEDSA-N 413.471 1.438 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 752291723 CGMAHPVISNBDHO-HNNXBMFYSA-N 413.499 1.777 30 10 HDEE CC(=O)Nc1cc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc(C(F)(F)F)c1 760572129 DJAHARFLIAWPDZ-ICFOKQHNSA-N 410.352 1.920 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1c(F)cccc1I 761525772 XJVDUPNQJWMMCJ-MRVPVSSYSA-N 420.178 1.987 30 10 HDEE C#CCC(CC#C)C(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 763953235 UIASCESSYGZQEY-UHFFFAOYSA-N 404.488 1.200 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2c(C)cccc2C)N(CCc2nnnn2C)C1=O 771529321 FGDYJCWFXPCOQL-ZDUSSCGKSA-N 401.496 1.137 30 10 HDEE Cc1cc(C)cc(C(=O)N2CCCC[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 773364921 RGUWFCZRZMCHDD-LQTLECTNSA-N 424.501 1.941 30 10 HDEE C#CCN(C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)[C@@H]1CCS(=O)(=O)C1 774008132 FCJRRCQZJCUHNS-MRXNPFEDSA-N 402.476 1.139 30 10 HDEE C=CCOc1cccnc1C(=O)OCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 775112643 BAXXQXTTXWLEHE-HNNXBMFYSA-N 410.492 1.475 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 781014196 ICFIDLBMMGLVAZ-SFHVURJKSA-N 403.460 1.966 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(F)cc3)C2)cc1 791165525 WCNXECADBBUYDV-UHFFFAOYSA-N 403.435 1.361 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)C[C@H]2CCCO2)CCCN1C(=O)OC(C)(C)C 791870618 NFOFALGQKNHCHU-RDTXWAMCSA-N 402.513 1.957 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N(Cc2cccnc2F)C1=O 794440989 KSAHHVKTOWXVEN-AWEZNQCLSA-N 415.450 1.587 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC[C@H]2C)cn1 795183701 PJOVUKHHPNOZMR-VNQPRFMTSA-N 419.551 1.888 30 10 HDEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccnc(C#N)c3)CC2)c(F)c1 795965966 ZWLMNRNQNPDDOP-UHFFFAOYSA-N 410.405 1.801 30 10 HDEE Cc1ccc(CN2CCCN(C(=O)COC(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 798741784 CRBPRYNWCZQTGG-QGZVFWFLSA-N 410.478 1.297 30 10 HDEE Cn1ncc(-c2csc(=Nc3ccccc3C#N)n2CCCNS(C)(=O)=O)n1 803181095 AWDXEHDUNLTUJS-UHFFFAOYSA-N 417.520 1.388 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F 804270527 ZQSSMLRKYYYYDE-LBPRGKRZSA-N 418.397 1.803 30 10 HDEE C#CCN(c1nnc(COc2cccc(C)c2)n1CCOC)[C@H]1CCS(=O)(=O)C1 812134726 YKJFINYFANWSGQ-KRWDZBQOSA-N 418.519 1.439 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCCCCn2c(C)nc3ccccc32)CC1 812831105 KQHOPQUJULNYQL-UHFFFAOYSA-N 403.552 1.600 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]12 916178200 OKBKJYMTTCGJQV-YQQAZPJKSA-N 422.532 1.230 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 918613373 VPAHHFFFYVDBHF-ODUIBEPXSA-N 418.475 1.849 30 10 HDEE CC(=NNc1nnc(SCC(=O)NCc2ccc(F)cc2)n1N)c1ccncc1 1083895595 LUFAUSRVNPCFMH-UHFFFAOYSA-N 414.470 1.771 30 10 HDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)NC3CCCC3)n2N)cc1 1083978662 LDRANPWJFXHFOC-UHFFFAOYSA-N 417.495 1.375 30 10 HDEE N#C[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)C1CCCC1 1133069735 FSCAZCNHSFONPV-WBVHZDCISA-N 417.487 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cc(C#N)cs2)C1 1133400167 FTDNMOBNVLQNNZ-CYBMUJFWSA-N 413.521 1.774 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1133977745 CBQNXGUQLIUQBS-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE CC1=NNC(=O)[C@H]1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1136653815 IUXZGWZPHRWFSV-FEDUSRTKSA-N 403.483 1.401 30 10 HDEE COCCOCCOCCCNC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1138568010 GJYBWIQPCVFZLL-UHFFFAOYSA-N 412.527 1.823 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1139490445 TURATKFYPNELPG-XOBRGWDASA-N 414.499 1.387 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NCC3CCN(CC#N)CC3)=NO2)C1 1146578765 IUUWKDKMWUUWKZ-OAQYLSRUSA-N 419.526 1.884 30 10 HDEE N#C[C@@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CCc2ccccc2C1 1154541766 SDIXYDRTURSAMX-AUSIDOKSSA-N 422.460 1.296 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)c1 1156247180 HYOVCJPZDCZFHB-QGZVFWFLSA-N 423.473 1.803 30 10 HDEE N#Cc1cn(CC(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)c(=O)nc1O 1158103310 GKRRYRUHFWODOK-UHFFFAOYSA-N 401.448 1.201 30 10 HDEE C=C(CCC(=O)OC)C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1159394009 PLLJUFNEUZKVHO-UHFFFAOYSA-N 421.498 1.799 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3NS(C)(=O)=O)n[nH]2)c1C 1167224207 LKOFZPAMKLNMFE-HUUCEWRRSA-N 420.539 1.666 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@H]1c1cnn(C)c1 1168652613 FOTRUHCQZRQEEE-SUMWQHHRSA-N 401.492 1.568 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1175854731 VTDVIENCMMVFCC-UHFFFAOYSA-N 407.423 1.173 30 10 HDEE COC(=O)[C@@]1(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)C[C@@H]1S(C)(=O)=O 1176825409 DDJSTOHWIBGESS-FRQCXROJSA-N 408.476 1.054 30 10 HDEE C#CCC1(NC(=O)Nc2cc(C(=O)OCC)cc(S(C)(=O)=O)c2)CCOCC1 1215585004 BRZQESUKYAWVIL-UHFFFAOYSA-N 408.476 1.961 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCc2ncn(-c3ccccc3)n2)C1 1225935700 AQOYRHYQSJLJCK-HOCLYGCPSA-N 411.466 1.826 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1230479921 AEILMZOORTVXBP-IBGZPJMESA-N 407.536 1.432 30 10 HDEE COC(=O)c1cc(CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)n(C)c1C 1246167919 YFHCOQYDJUFYBS-CYBMUJFWSA-N 411.466 1.202 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC2C[C@@H]3CC[C@H](C2)S3(=O)=O)CC1 1251329457 KQEWFJBGUHUEKN-GOOCMWNKSA-N 406.483 1.637 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CCC(=O)N(c2cnn(C)c2)C1 1267710794 ZIRHCLWUMPUISH-HNNXBMFYSA-N 404.434 1.563 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1286275934 PTFYBOMFKZJAGN-LAUBAEHRSA-N 406.527 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCc1cnn(C)n1 1286276987 VJWMKUXWVSQMOZ-OXQOHEQNSA-N 401.515 1.538 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1286325440 XYGUDCGQDKYEIR-SFHVURJKSA-N 413.526 1.989 30 10 HDEE C#CCCCn1c(N2CCO[C@H]([C@H]3CCCO3)C2)nnc1[C@@]1(OCC)CCOC1 1286359785 JYCOCGLBHZKDTB-LVCYWYKZSA-N 404.511 1.728 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@@H]1C 1286469663 LCBJMUKRPRGOAV-RDGPPVDQSA-N 406.527 1.761 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@]2(N(C)C)CCSC2)n1 1286470365 URDVWLBBEBDIRG-FQEVSTJZSA-N 417.583 1.507 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286481082 RXFXFOHFPXHQAK-GBESFXJTSA-N 403.527 1.326 30 10 HDEE C#CCSCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1286511611 BNVPCGSMIUSJJJ-FCEWJHQRSA-N 408.524 1.247 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1)C1CC1 1286737482 MVLSDJRBIXDWBE-DOTOQJQBSA-N 410.540 1.531 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1286773143 IGTZXGWUNQTDKH-QGZVFWFLSA-N 420.535 1.767 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCN1CCOCC1 1286783121 KXMFNEWXYACNJM-UHFFFAOYSA-N 412.538 1.578 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2nc(C)c(C)s2)CC1 1286790360 QLWMENAECJOZMF-UHFFFAOYSA-N 415.567 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1286819317 GULZWTXLKOCMGL-DGCLKSJQSA-N 408.446 1.912 30 10 HDEE C#CC1(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CCCC1 1288259824 SSHZKOCIZWMJMH-UHFFFAOYSA-N 408.520 1.646 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)C2)c(F)c1 1288558857 VWCPURMXDUXAMD-IFFAKLHKSA-N 405.495 1.996 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 1290343665 RMWCMUWDYPOICQ-SFHVURJKSA-N 414.506 1.491 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC(=O)OC(C)(C)C)CC1CC1)c1cc[nH]n1 1300327591 FOWPSFJPRGWSIM-UHFFFAOYSA-N 408.455 1.274 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCC(OC)CC2)CCCC1 1300459067 VXAISDUDFLTDOA-GOSISDBHSA-N 414.554 1.722 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1300515522 AFDIBZALTABCRO-MRXNPFEDSA-N 400.483 1.261 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCOC[C@H]2C)CC1 1300697485 CXFZFISHJBDDGR-LJQANCHMSA-N 409.538 1.124 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1301083881 RRSKEVLGKKPKPX-RDJZCZTQSA-N 400.414 1.442 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(CC)n1CCC[C@@H]1NC(=O)NC1=O 1301340998 HAAKHLLUHIVRCF-KRWDZBQOSA-N 407.478 1.893 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CCO1 1301358779 DLKBVMUOFKSRSN-IBGZPJMESA-N 407.478 1.759 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1301973149 BBHRBOUYXMEDAZ-CVTQAYBASA-N 420.477 1.386 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1cccc(C(N)=O)c1 1301999947 KJOLVPMORFFUQA-OAHLLOKOSA-N 412.494 1.889 30 10 HDEE CS[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302555770 SCRYBLMHALYGCW-ABAIWWIYSA-N 413.507 1.516 30 10 HDEE N#Cc1cn(CC(=O)N2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)c(=O)nc1O 1303141136 SLGGKVBSWUHBKY-OAHLLOKOSA-N 404.430 1.617 30 10 HDEE Cc1ncc(I)c(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1 1307093888 GJODWUVUUKTLPV-UHFFFAOYSA-N 423.262 1.630 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1307775565 SFFLRJHKDPMHHF-AEFFLSMTSA-N 423.535 1.741 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1309893444 ALUGOTIAUPCEEZ-GOSISDBHSA-N 413.471 1.656 30 10 HDEE CCn1cc(CNC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)c(O)nc1=O 1312481387 PCFCUIXGMOPHRG-UHFFFAOYSA-N 407.434 1.240 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1313477710 ABKYGWWBKJCHJG-UHFFFAOYSA-N 423.521 1.825 30 10 HDEE CCNC(=O)C1(Cn2c(CC)nnc2N2CCN(c3ncccc3C#N)CC2)CCC1 1313979049 YTCXPOSKFVPPHC-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE COC[C@H](Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)OC 1315810115 ZCBMWDYFQRSTRB-KFKAGJAMSA-N 411.478 1.422 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C1CC1 1316189125 MIMQHHFDDCBRTO-YWZLYKJASA-N 404.515 1.658 30 10 HDEE C#CCN(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1320594032 PMXLCIORAZLTFU-LSDHHAIUSA-N 401.529 1.464 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1358961338 WTXUWJWLFKHWBI-GOSISDBHSA-N 424.530 1.548 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1358978138 DRPSYLMFZUPHOQ-OAHLLOKOSA-N 403.895 1.350 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C2CC2)CC1 1358984483 XTJHIOVVXAIPFJ-FPOVZHCZSA-N 411.550 1.949 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CC=CCC2)CC1 1359029840 IWIPQOVNEZLBFS-IBGZPJMESA-N 402.543 1.019 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1 1359097728 SMPNCBVHPRHTPE-NVXWUHKLSA-N 405.524 1.500 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](COc2ccccc2)C1 1359297949 HPRCNTGGBDXKSZ-QGZVFWFLSA-N 421.505 1.886 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccsc1 1359299270 ALUGBJDBJSMTOS-GJZGRUSLSA-N 400.508 1.934 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1439972647 PEEWGAMLQCOGEB-NRFANRHFSA-N 411.462 1.658 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1456471852 BIZRALGEIDNMIC-AWEZNQCLSA-N 415.537 1.906 30 10 HDEE O=C(c1nnc(O)nc1O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456582393 CVPZHSJRYPSERP-ZXZARUISSA-N 408.205 1.526 30 10 HDEE CS(=O)(=O)NC[C@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 1462631913 SJGJBVZKZYKKQB-OAHLLOKOSA-N 401.492 1.475 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1463718205 KPWQTKSGDBSENF-KOLCDFICSA-N 403.254 1.402 30 10 HDEE C[C@](O)(C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(F)cc1 1464026981 GGIKVBUPRXPQLW-HXUWFJFHSA-N 417.462 1.438 30 10 HDEE C#CCC1(NC(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CCOCC1 1470792833 AKKAMPGVVMYTLG-APWZRJJASA-N 415.538 1.980 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CO1 1471488578 ZKVGTYUTYAMCRQ-QZTJIDSGSA-N 415.494 1.957 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1)[C@@H]1CCS(=O)(=O)C1 1479134401 WHHSOJHOVTUOSQ-UXHICEINSA-N 419.547 1.028 30 10 HDEE Cc1cccc(C(=O)NCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C#N)CC2)c1 1492478279 HUHYMCGKJNDIAN-SFHVURJKSA-N 421.505 1.708 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1493171794 XISTXNUSORXVLS-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE CCNC(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)cc1 1502416102 GYDARYVTTJNXSG-INIZCTEOSA-N 423.521 1.937 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)COC2)C[C@H]1O 1503882693 SONBGEYJRDYPEB-IAGOWNOFSA-N 411.462 1.213 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(C)(=O)=O 1507518791 CQURAOUDBNMVJP-SNVBAGLBSA-N 400.302 1.538 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(O)CCO[C@@H]1C 1507602508 BEIMSZGYBHUGFM-SJKOYZFVSA-N 408.300 1.655 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507633392 DHYVZDDAVJHYKQ-YJBOKZPZSA-N 405.568 1.340 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CCc1cccc(C(=O)NC)c1 1507651349 MPVWAQFBHTXYSI-UHFFFAOYSA-N 412.497 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(C)(C)C(=O)NC 1507669000 PXTCZLGAZPLEDW-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCn2nc(C)cc2C)CC1 1507724391 OGWIDTNYVNVLSQ-UHFFFAOYSA-N 418.549 1.923 30 10 HDEE C=C(Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)C(=O)C1)c1ccccc1 1507851992 GBHRNJZHKPXIHY-UHFFFAOYSA-N 419.489 1.744 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(C)C)CC1 1507964577 DLRQSVMUOPYXEF-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)C)C1CC1 1507989850 GFIVBTSKNVWIOW-UHFFFAOYSA-N 421.509 1.848 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)OCC)CC2)nnc1C(C)(C)C 1508150086 ZKKNECCTSAMCPN-UHFFFAOYSA-N 413.544 1.455 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508424492 MRVYPSISJONJAF-BZUAXINKSA-N 410.544 1.049 30 10 HDEE CC(C)c1ccccc1N=C1SCCCN1C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1521324867 GCKHRUOEBDIWNM-HNNXBMFYSA-N 409.533 1.676 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(CC(C)C)CCO1 1539025582 KESNTWYAZZDZPC-UYAOXDASSA-N 413.570 1.954 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(CS(C)(=O)=O)CC1 1539161922 MMPFGUIZSXKFQW-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1539361985 LHQLMOFEZPIJLZ-MRXNPFEDSA-N 412.494 1.724 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(=O)NC 1539420096 BCQOAIYIULRRTN-UHFFFAOYSA-N 423.521 1.375 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cc([N+](=O)[O-])ccc1I 1539432786 QEMNWNJBKDYVEY-ZDUSSCGKSA-N 402.192 1.773 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1539541892 OJAUZLCYDXJBEH-YADHBBJMSA-N 424.505 1.465 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539744636 RRNPYFNZIKIYSY-UTKZUKDTSA-N 418.542 1.123 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540867966 NSZWYFDVATYKIV-MOPGFXCFSA-N 411.506 1.940 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1540901389 BRFVFJRNUGWUSD-ZDUSSCGKSA-N 421.489 1.829 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)CC1 1544079943 ZTPONTPVTLOTFU-AWEZNQCLSA-N 408.480 1.207 30 10 HDEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)CC1 1544520211 AMPOCHMMJWADKI-LPHOPBHVSA-N 424.546 1.354 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3C(C)(C)C)cc2C1=O 1544768112 XSQLGKSNPONVIC-MRXNPFEDSA-N 404.488 1.754 30 10 HDEE CC[C@H](C)c1nnc(N2CCOCC3(CC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1545600016 BFXDEAGZQWZINE-UHHPSXQGSA-N 414.510 1.935 30 10 HDEE COCCN(C)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1555512345 IVJCXSIHRAWJCJ-CZIZESTLSA-N 410.478 1.863 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCc1n[nH]c(C)n1 1555628172 FTZGUMSZZGXSOH-CQSZACIVSA-N 402.503 1.801 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCCC1 1556022581 JULJEUFMOYIAGK-HTXNQAPBSA-N 423.433 1.980 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCCc3c2cnn3CCO)s1 1556083375 ZFYLXIOUASOWPT-HNNXBMFYSA-N 424.548 1.138 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)cc1 1557252804 WIIQGFFYVQHGAH-OCCSQVGLSA-N 405.398 1.453 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(N3CCN(C)CC3)CC2)c1 1561845414 BHBHOLYBRGQEKR-UHFFFAOYSA-N 406.552 1.003 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@H]1C(F)(F)F 1564721286 QYAYHBNLENJMKL-GHMZBOCLSA-N 407.393 1.113 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)c3ccc(Br)nc3O)C2=O)cc1 1568507701 GUABKFBXEGRSQY-CQSZACIVSA-N 415.247 1.952 30 10 HDEE CC[C@H](C)n1ncc2c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc(C)nc21 1585660837 XKVLXXBTBAFRNB-CKFHNAJUSA-N 401.492 1.721 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)cc1 1587266980 KVFZUOQVYFKLLG-ZDUSSCGKSA-N 403.386 1.276 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@H]1C 1587626286 JTNRXGOVEDZCKF-HZPDHXFCSA-N 421.505 1.773 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)OC)c1 1587692402 DGGLDJQAMFVUKT-KRWDZBQOSA-N 424.505 1.710 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1cccc(OC)c1 1588128582 PGOSQPCOLPKMDP-VQIMIIECSA-N 407.474 1.778 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1c(CC)nn(C)c1OC 1588628228 GCLGCQVDDBLMDC-UHFFFAOYSA-N 412.498 1.117 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2nccs2)CC1 1588865393 WOZAJMXDKVVXBL-INIZCTEOSA-N 413.551 1.416 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCCc2ccc(O)c(CO)c2)ccc1F 1593744087 IXTNMRUMGULKLY-UHFFFAOYSA-N 408.451 1.460 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCc2cccc(C#N)c2)C1 1595332912 MSPAXZNECUWCOI-INIZCTEOSA-N 407.492 1.599 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1 1595555556 CDTMRTTXMXMDED-UHFFFAOYSA-N 416.913 1.526 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cscc2C#N)C1 1611546018 HUXMWDHOQMLLBS-CYBMUJFWSA-N 413.521 1.774 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)CCOC1 1616195258 JAEQCWPGMDJUPL-FQEVSTJZSA-N 407.515 1.459 30 10 HDEE O=C(Cc1noc2ccc(Br)cc12)NCCN/C(O)=C1/N=CC=CC1=O 1616348391 YXNKFBFITFYTLZ-MSUUIHNZSA-N 419.235 1.775 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1617238884 QCSLXAUIAPWJJX-INIZCTEOSA-N 416.482 1.561 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccc2c(=O)cc[nH]c2c1 1618277237 GRBWITIXQZWXAW-UHFFFAOYSA-N 424.482 1.663 30 10 HDEE CO[C@@H](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1618965091 NPOPENGZONBZIS-BLLLJJGKSA-N 418.395 1.810 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCN(C2CC2)C1 1619990402 SFZMVEFUAOBICZ-JXXFODFXSA-N 406.506 1.928 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CCCN2CCCC2)cc1 1620351716 DZAJICRYNHUHMD-SFHVURJKSA-N 423.521 1.526 30 10 HDEE O=C(CN1CCC(N2CCOCC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1620418259 PQRKTLQHJXCUSF-UHFFFAOYSA-N 409.452 1.970 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1623969889 VUSRNCSTDLIGHT-AUSIDOKSSA-N 411.502 1.830 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cccc(C(=O)NCC)c2)s1 1625791803 KUEXXLAORKYRCY-UHFFFAOYSA-N 421.544 1.821 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C2CS(=O)(=O)C2)c1 1626104543 ZQKQIRHANOHPIQ-KNTRCKAVSA-N 413.521 1.263 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)c1 1628661826 CRRXSNWVFUHMGX-SFHVURJKSA-N 401.488 1.645 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCO[C@@H](c2ccccc2OC)C1)c1cc[nH]n1 1635659496 QSUHDUPQKRYVAA-QGZVFWFLSA-N 416.434 1.302 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cnn3c(-c4cccnc4)ccnc23)c1C#N 1638117291 QUPUULCRJDZKNH-UHFFFAOYSA-N 401.434 1.790 30 10 HDEE C#CC[C@@H](NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1)C(=O)OC 1638832433 OZXWFLVCUASXEK-CQSZACIVSA-N 406.485 1.437 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(Cc3nc[nH]n3)CC2)CCCN1C(=O)OC(C)(C)C 1640817366 UOMYSLCIMIDQRE-FQEVSTJZSA-N 402.499 1.242 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CC(Nc4cccc(C#N)c4)C3)CC2=O)cn1 1641584646 SFRXZLQVATWMRY-INIZCTEOSA-N 408.462 1.077 30 10 HDEE COc1cc(NC(=O)[C@H]2C[C@H]2C)c(C(=O)N2CCN(CCC#N)CC2)cc1OC 1643821919 HMNLNGGKCWRUDU-CABCVRRESA-N 400.479 1.970 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](CC#N)C(F)(F)F)cc1 1645009741 CVRVHSXZEYCOBL-ZDUSSCGKSA-N 406.386 1.274 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](c4cnccn4)C3)C2=O)cc1 1646562503 LQZYAZBBDXSDJS-NVXWUHKLSA-N 404.430 1.569 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)c1ccc2c(C#N)c[nH]c2c1 1648648807 OPOLMBAWXRCLOZ-UHFFFAOYSA-N 412.471 1.582 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1649674656 CGDZKANEJWAOSD-QFIPXVFZSA-N 421.505 1.257 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CCC1CCCC1)C2 1650671949 BNTDJVTZIYGWMM-UXHICEINSA-N 410.518 1.862 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N(C)C)CC1 1651789293 SHGKHFHDVHYUCT-OAHLLOKOSA-N 416.950 1.645 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@H]2CCOC2)s1 1652928840 MCBHTNYBFWGOCI-HUUCEWRRSA-N 414.549 1.409 30 10 HDEE Cc1cc(NC(=O)Cn2c3c(cc(C#N)c2=O)CN(Cc2ccccc2)CC3)n(C)n1 1652970038 IBJCSYYASNVPRX-UHFFFAOYSA-N 416.485 1.959 30 10 HDEE CNC(=O)NC[C@H]1CN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1654268069 XNBRQWYPTZTRQC-KGLIPLIRSA-N 419.551 1.845 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1655605807 NLKNWOIUQJGCDW-AWEZNQCLSA-N 401.444 1.365 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1 1659159463 LCPKJFJATGFJMZ-NQIIRXRSSA-N 419.547 1.828 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@H](CS(C)(=O)=O)C2)c1 1660393283 QUEGEXLYCLLFGO-MJGOQNOKSA-N 407.536 1.684 30 10 HDEE N#Cc1cnn2c(O)cc(CN3C[C@@H]4[C@@](C(F)(F)F)(CCCS4(=O)=O)C3)nc12 1660546133 AOSDHVKOYAJDBO-IUODEOHRSA-N 415.397 1.248 30 10 HDEE C#CC[C@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1665970778 DIXCOJFOUZYQJW-SFHVURJKSA-N 405.520 1.652 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)C1 1666053716 XGYSZJMOILUSJW-CYBMUJFWSA-N 414.325 1.783 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C)C(=O)OC 1668852571 SNDGGQNLAPCELR-ZDUSSCGKSA-N 404.872 1.031 30 10 HDEE C[C@@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(Cc2ccccc2)C1 1672296854 CPQQRCFGPGYJCS-SESVDKBCSA-N 416.547 1.478 30 10 HDEE CC(C)[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1673961865 LRSUYLMRQOZRAT-CQSZACIVSA-N 405.455 1.001 30 10 HDEE COC[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccc(Cl)cc1 1682638689 UPBZYTAXFYAJFP-CQSZACIVSA-N 417.853 1.470 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)C1 1685266513 CHNIZDCHZBINLI-HXUWFJFHSA-N 400.498 1.710 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N3CCN(c4snc(C)c4C#N)CC3)[C@@H]2C1 1687747092 DVJIPPYGHZIVOW-KQTLUZQSSA-N 403.508 1.743 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1689875016 IFLILWKLLXNTFJ-DOTOQJQBSA-N 424.571 1.044 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCOCC2)C1 1689929927 HMLUWYJPZWTVBY-KRWDZBQOSA-N 406.552 1.991 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1689990908 SZIYYENBSGKOOR-QGZVFWFLSA-N 422.551 1.104 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1cccc(C(=O)N(C)C)c1 1690108297 TYIVPFXBMSBSGQ-LJQANCHMSA-N 411.506 1.966 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)(=O)CC1 1690299578 YAVGKBLLRMNCEP-UHFFFAOYSA-N 413.544 1.024 30 10 HDEE C=CCn1c(N2CC(=O)N(C)C[C@H]2C)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1690653118 CVCUCXNMNZUINK-KFWWJZLASA-N 404.515 1.902 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1c(C)noc1C 1690678369 ULDHXPHLVZQWJJ-YJBOKZPZSA-N 418.498 1.546 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1696054972 KDVALPZKFGHMDJ-VOBQZIQPSA-N 420.489 1.287 30 10 HDEE CCOCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnnn2C)C1 1696451159 YIJFIGZZXFQCTI-IBGZPJMESA-N 422.493 1.625 30 10 HDEE CN1C[C@@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)C1=O 1696873534 KQAGKXIXUNGTKQ-FQEVSTJZSA-N 408.466 1.144 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCO[C@H]2CCOC2)c1 1698485600 JHBJCGCORUNAGC-SFHVURJKSA-N 410.478 1.339 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1705524048 FHQXFYITPAQDBX-WMZOPIPTSA-N 402.499 1.727 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1705530121 IXAYBMDXSJAAEJ-OAHLLOKOSA-N 407.482 1.723 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1705542780 NZGRYMJLALXYNF-HXUWFJFHSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)(C)C 1705544766 CXDFJYUGZPBHQC-UHFFFAOYSA-N 417.535 1.723 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705610258 IJVVPQQOMZLOMR-OAQYLSRUSA-N 419.533 1.753 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCOC(C)(C)C1 1705705059 CIKQMVYMDOJBPV-LPHOPBHVSA-N 403.527 1.997 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(C)cn2)C1 1705915582 FFIMYPOAMZCLJU-RXVVDRJESA-N 416.526 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCCC2)C1 1705924944 HYRSUVZXVPHBQO-IAGOWNOFSA-N 403.527 1.999 30 10 HDEE CC1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)CC1 1708139048 JVINSLBHNHMCHD-LJQANCHMSA-N 412.542 1.919 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1 1711410684 TZAQOEIUMNAUJU-UHFFFAOYSA-N 416.445 1.791 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2COCCO2)C1 1712875174 MEHLVGYZMVIFKZ-YJBOKZPZSA-N 402.386 1.711 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)CCO1 1712885019 XQTAVICSHGNTJX-QWRGUYRKSA-N 406.231 1.889 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1722330575 WBSCICIBJJRHCQ-UHFFFAOYSA-N 419.555 1.342 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCC(O)CC1 1722386654 GFHKIYDJUUEWNM-UHFFFAOYSA-N 409.538 1.059 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC)N2CCCC2)CC1 1722429821 SSXAAFUPJHUNHX-SFHVURJKSA-N 401.559 1.046 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCSC(F)(F)F)CC1 1722441059 OALOWOROGIEQEI-UHFFFAOYSA-N 416.473 1.409 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1722527884 SPSMPPQZIXMUBW-UHFFFAOYSA-N 418.464 1.693 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccn(CC)c2=O)CC1 1722566144 KNUJYMJOUSPJPL-QGZVFWFLSA-N 417.535 1.567 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(F)F)C1 1722727550 JHZKIZJTPDJFBY-KGLIPLIRSA-N 404.483 1.864 30 10 HDEE CC(C)c1nnc(N2CCC(CC(N)=O)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1723161810 VPYIDCMWRRDCOC-HTXNQAPBSA-N 415.498 1.020 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)c1occc1C 1727607804 DXQKEAXFYNFFKO-KRWDZBQOSA-N 411.510 1.739 30 10 HDEE CN(CC1CCC1)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729460785 JYSUSYSZVWYIBA-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCc2c(ccnc2O)C1 1731007016 DTQWMVVSYAZWJC-UHFFFAOYSA-N 424.486 1.525 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740586082 OEJSNTZBEJUELF-QGZVFWFLSA-N 419.551 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1740651123 ZMNPOWDKYOSYBI-QGZVFWFLSA-N 412.515 1.851 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2cnn3ccccc23)n1 1740687429 DOODNYQDEIULAO-UHFFFAOYSA-N 404.478 1.765 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCSC 1740717117 KCPMZPWJRLVIJA-CQSZACIVSA-N 402.611 1.736 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOCC1CC1 1740725241 NLGGISNGMXGTDB-HNAYVOBHSA-N 409.556 1.697 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740781455 IZLZOOSBHBYKMX-INIZCTEOSA-N 404.515 1.269 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1740784230 OXKQMIIECSCLLR-IBGZPJMESA-N 409.538 1.583 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)C(C)(C)C)CC1 1740827754 JNKLFKNABFKXDG-UHFFFAOYSA-N 409.556 1.770 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(c2cnn(C)c2)CC1 1740956258 JCYQNKAJBDGTBA-UHFFFAOYSA-N 410.482 1.209 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(O)(c2ccccc2)CC1 1740957568 SHQIAAFPONXUAO-UHFFFAOYSA-N 421.505 1.469 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)[C@H](C)C1 1741044685 NIMLYUCDLLZSEL-OPAMFIHVSA-N 424.505 1.679 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1741257478 LLXZPDKZSUIXBW-FQEVSTJZSA-N 415.519 1.603 30 10 HDEE CC(C)N(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1741930120 DJFUHIYJAJVCQI-QAPCUYQASA-N 411.576 1.359 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1748756826 XDPJBFAPLVRUPP-UHFFFAOYSA-N 424.524 1.822 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749127655 NPQLHJSZMWBBCW-MJGOQNOKSA-N 402.543 1.395 30 10 HDEE C=C(C)COCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749235978 XXQQKVMEHLBVBK-GASCZTMLSA-N 419.507 1.424 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1csc(CC)n1 1749666678 PPNRYTXSWGKQCM-CYBMUJFWSA-N 403.512 1.187 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1 1749684828 HDZMDRAVEIXCQF-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1751495603 FDXRFNLDCBKYHV-RMYFCYLKSA-N 412.450 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1760099582 ITZFBXYHNANKAH-UWJYYQICSA-N 416.526 1.668 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(N(C)C(C)=O)CC1 1760144676 YHFURMWJWHVFRH-UHFFFAOYSA-N 409.494 1.786 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1760168917 UQEJTFAWXFTRQW-UHFFFAOYSA-N 404.430 1.328 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1CC(=O)NCC(F)(F)F 1760204328 LIKHGIJKXMGNOM-UHFFFAOYSA-N 419.407 1.629 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1Cl 1760233877 QFKQSHLZYGMBPM-CQSZACIVSA-N 423.926 1.767 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(COCC)n1CC(=O)N1CCOCC1 1760243430 KDBGLANUTMCFGY-UHFFFAOYSA-N 415.469 1.452 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760556369 BDZCCUWODQUQLK-MRXNPFEDSA-N 421.567 1.326 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOC[C@H]1C 1764187155 FQJQKGMJIYJVHG-BFYDXBDKSA-N 404.515 1.598 30 10 HDEE COCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1769731482 XTHQGODNUBIZMQ-GOSISDBHSA-N 411.510 1.802 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C2CC2)C1 1771366265 KEHVQPOYHCPSAC-GOSISDBHSA-N 414.535 1.992 30 10 HDEE Cc1oc(C(=O)ON2C(=O)c3ccccc3C2=O)cc1S(=O)(=O)N1CCCC1 1772788679 ZQCODMNIXGAGLC-UHFFFAOYSA-N 404.400 1.741 30 10 HDEE Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)[C@@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794673 QYVKXSWFESWXDC-HNNXBMFYSA-N 412.402 1.966 30 10 HDEE CCOc1ccc(CC(=O)N2CCC(CNC(=O)c3cnc(C#N)nc3)CC2)cc1 1849914328 KNLIGNNNENYTCW-UHFFFAOYSA-N 407.474 1.958 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N=C2C[C@H](C)N(c3ccc(Cl)cn3)N2)c1 1852106846 STFNZTBTZCEQLE-NSHDSACASA-N 407.883 1.985 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CNC(=O)Cc2cc3c(cc2C#N)OCO3)cc1 1852905907 YVFGRLGCAKVXTO-UHFFFAOYSA-N 401.444 1.396 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(C(=O)c4cc5n(n4)CCCC5)CC3)cnc21 1853227498 QQNNZKOQRSFSQN-UHFFFAOYSA-N 417.473 1.576 30 10 HDEE C=CCC(=O)N(CCN1CCOCC1)c1nc2ccc(S(C)(=O)=O)cc2s1 1853244112 CBOJERUXEUUSNL-UHFFFAOYSA-N 409.533 1.941 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1853790264 XKRJIDGHQZEYAF-GOSISDBHSA-N 403.504 1.522 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCCOC3)C3(CCCC3)C2=O)CC1=O 1854008086 KHQAKOCIVUTOPR-MSOLQXFVSA-N 403.523 1.431 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCc4nc(C)sc4C3)C2=O)CC1=O 1855079875 BAKVIGPIGXGBMU-ZBFHGGJFSA-N 402.520 1.362 30 10 HDEE C[C@H](C(=O)N1CCCC[C@@H](N2CCC(C#N)CC2)C1=O)n1nc(C2CC2)ccc1=O 1855598198 ROZYRXBFCWBRMM-DNVCBOLYSA-N 411.506 1.825 30 10 HDEE Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c1 1856058928 UCYPEXUYQXNCSX-OAHLLOKOSA-N 407.492 1.374 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(Cc3ccc(OC)cc3)C3CC3)C2=O)CC1=O 1856073061 PJANHNVDDJHYOL-XLIONFOSSA-N 411.502 1.822 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1c(C)nn(C)c1C 1856101247 BAQLXPPSVIHWAV-UHFFFAOYSA-N 416.503 1.963 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cnc(O[C@H]3CCOC3)c(Cl)c2)C(=O)C1 1856386842 KXAGEENWZUSQQF-HIFRSBDPSA-N 406.870 1.879 30 10 HDEE Cc1ncccc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856436034 FXFOWKFYFAAYAO-MRXNPFEDSA-N 409.515 1.882 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)CN3C(=O)COc4ccccc43)C1=O)CC2 1856533955 UDYHPINMFUWCKH-NVXWUHKLSA-N 408.458 1.165 30 10 HDEE CCC[C@H](F)C(=O)N1CCN([C@H]2CCN(CCOc3ccc(C#N)cc3)C2)CC1=O 1856664223 DQDXZFFMJAGBOF-ICSRJNTNSA-N 416.497 1.820 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2snnc2CCC)C1)[C@@H]1CCN(C)C1=O 1857077024 UPELYHUDCMFRKC-GDBMZVCRSA-N 419.551 1.588 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@@H](N(Cc3cnccn3)CC(C)(C)C)C2=O)CC1=O 1857136725 JMZQOKZXGIMMDK-FUHWJXTLSA-N 413.522 1.487 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1857229704 QXYWQSPOJSGMQZ-RBUKOAKNSA-N 417.550 1.677 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)C1 1857339473 PFNYEGIMHANBKQ-SJORKVTESA-N 420.510 1.375 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860967159 AFNOEHQWAODLQI-GOSISDBHSA-N 405.458 1.430 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCO2 1862630152 NTBCZQZNUXSYRH-KRWDZBQOSA-N 412.354 1.894 30 10 HDEE C=CCNC1=C(c2cc(OC)ccc2OC)C(=O)N(CCCN2CCCC2=O)C1=O 1863726178 NDZZENPALODWAK-UHFFFAOYSA-N 413.474 1.572 30 10 HDEE C=CCOc1ccccc1OCC(=O)N[C@H]1CCCCN1[C@H]1C(=O)CSC1=O 1865934360 CMMGUBWYDRUVKS-MJGOQNOKSA-N 404.488 1.770 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)N2C(=O)c3cccnc3C2=O)nc1C 1866240020 ATOMDLLWOZKDLE-JTQLQIEISA-N 400.416 1.813 30 10 HDEE COc1ccc(C(=O)N[C@@H](C)C(=O)Nc2ccccc2C#N)cc1S(C)(=O)=O 1866890161 KKPDVCVEPOQQMY-LBPRGKRZSA-N 401.444 1.727 30 10 HDEE C=C(I)C[S@@](=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)O 1881443100 VMENFVCWAYSNRE-WPCRTTGESA-N 403.238 1.662 30 10 HDEE C=C1CC(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2077103109 XNESKUHXFYZGJA-UHFFFAOYSA-N 406.460 1.402 30 10 HDEE C#CCN(C(=O)[C@H]([C@H](C)CC)N(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180132721 HEIGMYJQNHZIGI-OAGGEKHMSA-N 400.541 1.917 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2243493017 QBLLOFMBXJLXRC-NEPJUHHUSA-N 404.276 1.171 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1 2245259456 NHFZIBGCZLKVQD-BOLDSZDNSA-N 409.336 1.841 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247779588 WMTCNDKLYKYNCE-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE C[C@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247825128 ZJOVDIQLHSWPOL-OAHLLOKOSA-N 413.331 1.365 30 10 HDEE CCOC(=O)CN(Cc1ccccc1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2248573229 AVLRMLPQJRVJFO-UHFFFAOYSA-N 413.283 1.914 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2250291314 YJCZQXFNMDDUPL-TZMCWYRMSA-N 420.319 1.742 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(Cc2ccccc2)Cc2cn[nH]c2)n1 2255612461 RGXOEXZWEQTYCZ-UHFFFAOYSA-N 422.298 1.680 30 10 HDEE C[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)N1CCCC1 2282330198 WLIYYRXORZACNS-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCCC[C@H]3C3OCCO3)c2)OC1(C)C 2282345204 YRCLZRFGLPZDRM-KRWDZBQOSA-N 423.340 1.902 30 10 HDEE C=C(CS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O)B1OC(C)(C)C(C)(C)O1 2282490272 GYIRUDZFLOZGEV-KGLIPLIRSA-N 405.347 1.155 30 10 HDEE C[C@@H](CC[S@](C)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602673 WERFJPIVVWMRBR-LJZMDLFKSA-N 400.737 1.921 30 10 HDEE C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282618415 MJKVODYGZJWYES-WDEREUQCSA-N 400.331 1.090 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3C[C@H](O)CCO3)c2Cl)OC1(C)C 2282635645 DLXISSYOWVCJJB-GHMZBOCLSA-N 401.721 1.970 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@@](C)(O)C1 2282827079 WMOYMRAWQYDINM-SJKOYZFVSA-N 401.359 1.938 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1nncs1 2282831962 HHXOPRZDVRWUBL-SECBINFHSA-N 416.359 1.474 30 10 HDEE Cn1c(Cl)cnc1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282869127 XVBUEQXGUNEFMF-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282881692 AWTDRSURSTWAQZ-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284406402 XVQUDNFBNIFGNM-SNVBAGLBSA-N 421.371 1.532 30 10 HDEE CSC[C@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284407317 KEFZAJOTJHIKIC-ZDUSSCGKSA-N 401.315 1.080 30 10 HDEE CC(F)(F)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284413197 IERULPFIWLZTIF-SNVBAGLBSA-N 411.257 1.434 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@@H]2C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2287380191 SVBNFNZAQJSCSL-CHWSQXEVSA-N 401.529 1.348 30 10 HDEE CC1(C)OB(c2ccc(N3CC(CNC(=O)C(F)(F)F)C3)c(C#N)c2)OC1(C)C 2301339571 VCGXNFBACOUSDF-UHFFFAOYSA-N 409.217 1.972 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2315529719 BZDUROZCNGQOQT-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE O=c1c(Br)c(NN=Cc2ccncc2)cnn1[C@H]1CCS(=O)(=O)C1 2322659601 ADJKPJYIOKGZOK-NSHDSACASA-N 412.269 1.206 30 10 HDEE C[C@@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2359284432 ZKTPSZRGVVDYPJ-SUNKGSAMSA-N 401.721 1.687 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCOC1 2365202439 DSHUSLBKHZKDJE-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE Cn1nccc1C#C[C@@H](N)[C@H](O)c1c(Br)cncc1Br 2367768889 YQQBUXRKYPXBMT-YPMHNXCESA-N 400.074 1.753 30 10 HDEE CN1C(=O)N(CC(=O)OCC(=O)Nc2ccc(CC#N)cc2)C(=O)C12CCCCC2 7936518 KEMVHRCODHWQFV-UHFFFAOYSA-N 412.446 1.831 30 10 HDEE COc1cccc(C(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)c1 20292309 FYIBDRCFESMRND-AWQFTUOYSA-N 414.447 1.833 30 10 HDEE CCc1ccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 72443867 LHNNLPYKBWJJPS-HOTGVXAUSA-N 420.473 1.258 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1ccc2c(c1)OCCO2 72472337 ODBCILWXUYMBPO-CJNGLKHVSA-N 407.430 1.755 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@H]3CCCN(CCO)C3)C3CC3)nc2)OC1(C)C 204876232 GMBADBCOVYACTF-INIZCTEOSA-N 402.348 1.449 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccc([N+](=O)[O-])cc2)C1=O 254853599 AKKSTSKFCMTWIH-UHFFFAOYSA-N 413.375 1.761 30 10 HDEE CN1C(=O)C[C@@H](NS(=O)(=O)c2cccnc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 428416192 DSGBFKLUTZOGLU-DYVFJYSZSA-N 408.842 1.996 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(C#N)oc4C)CC3)C2=O)n(C)n1 436066840 RMGCHMNCVXJLDR-GOSISDBHSA-N 410.478 1.455 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCCC[C@H]1c1ccnn1C 440229958 FLBZXMYGUJZKPJ-KRWDZBQOSA-N 418.461 1.873 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cnn(-c2ncccc2C#N)c1 462085778 VNSIAFHZYYWZGS-KRWDZBQOSA-N 410.482 1.203 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)n1cnc(C#N)n1 467424677 KEONMJZWRUZFPU-CQSZACIVSA-N 410.459 1.828 30 10 HDEE C=CCc1cc(CNC(=O)N2CCCN(CCOC)C(=O)C2)cc(OC)c1OC 468510161 DSPINNNUTOGZRM-UHFFFAOYSA-N 405.495 1.823 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(C(C)=O)C[C@H]2C)c(C#N)cn1CCOC 481418754 ZCDXPGNTAADDLV-CYBMUJFWSA-N 405.455 1.267 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C(C)C)S(=O)(=O)C2CCCCC2)CC1 484886598 ZYXFPKIFNFOZQW-LJQANCHMSA-N 413.584 1.205 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 506262763 QUCSLISJOHBLIO-UHFFFAOYSA-N 409.321 1.994 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 508464482 MMZQOENZXBKSAF-YRBFXIGRSA-N 413.544 1.237 30 10 HDEE C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2cnccc2C#N)CC1 515029614 IEQAJLZJEXPJCU-KRWDZBQOSA-N 421.501 1.594 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)NC(C)C)n(Cc2ccccc2)c1=O 525266041 DFPPUGMFSVQDEB-UHFFFAOYSA-N 407.495 1.887 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 541873561 VPMVHXYCAPFYDC-WOJBJXKFSA-N 400.435 1.941 30 10 HDEE Cn1c(=O)c2ccccc2n2c(CN3CCN(c4cccc(C#N)n4)CC3)nnc12 545506285 VYXHHKYUFUUAMR-UHFFFAOYSA-N 400.446 1.170 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cccc(N4CCCC4=O)c3)CC2)n1 546919315 QEDDGHZIDCPNKT-UHFFFAOYSA-N 404.474 1.841 30 10 HDEE COC(=O)C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CCO1 555409146 DSODCJNTNLYQSG-ROUUACIJSA-N 411.462 1.764 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(CC#N)cc2)CC3)CC1 555522873 YRWUWVBEGMYGIY-GOSISDBHSA-N 420.517 1.329 30 10 HDEE CN1C(=O)C[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 561631145 JIDKFCOWPOWMSM-BBRMVZONSA-N 405.821 1.213 30 10 HDEE C=CCn1c(Cc2noc(-c3cccc4c3CC(=O)CC4)n2)nnc1N1CCOCC1 562103092 HRGYFLDRFUQELO-UHFFFAOYSA-N 420.473 1.999 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 566826017 YKCFKIJNPUHOBV-WBVHZDCISA-N 403.508 1.658 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCCNC(=O)c2ccccc2Cl)CC1 603807177 XGLJEOIBBVDSCR-UHFFFAOYSA-N 412.881 1.868 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)NCCSCc2ccccc2C#N)C1=O 610591934 APNABBBYSOWFTI-OXJNMPFZSA-N 415.519 1.811 30 10 HDEE CN(C)CCn1cc(NC(=O)C(=O)N2CCC(Oc3cccc(C#N)c3)CC2)cn1 610869658 BAJSQQNPPRJTFZ-UHFFFAOYSA-N 410.478 1.325 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(C)(C)C1=O 731064096 ROYFTHDHFLFKNA-LBPRGKRZSA-N 418.475 1.750 30 10 HDEE Cc1ccc(CC(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 733894541 ARWSZEXZNCCVKZ-DQRAZIAOSA-N 410.474 1.125 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc2c3c(cccc13)CC2 737305443 HYSYBYAMVRHCFS-VXPUYCOJSA-N 404.426 1.520 30 10 HDEE Cc1nc2sccn2c1C=NOCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1 742360449 QZGJTSVQVAAGIL-AWEZNQCLSA-N 412.537 1.726 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2-c2nc(C3CC3)no2)CCN1C1CC1 746796894 PHVLDUKOYLWWMB-OAHLLOKOSA-N 424.436 1.890 30 10 HDEE COc1ccc(CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 746885858 DXYVGZOHYFFEJA-UHFFFAOYSA-N 402.451 1.262 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758640506 HXUSXILLXUSTKJ-QWRGUYRKSA-N 403.892 1.419 30 10 HDEE COC(=O)C(C)(C)[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 766983930 VEVPCJXPYRCGBC-GROYHEBESA-N 414.462 1.753 30 10 HDEE COCCN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1C[C@H]2CC[C@H]1C2 773723791 RBJSPZWIBKVNFU-ZOBUZTSGSA-N 405.520 1.779 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3F)c2=O)c1 776753374 OFMNWNJWHAMVGT-UHFFFAOYSA-N 410.405 1.916 30 10 HDEE C[C@@H](C#N)Oc1ccccc1NC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 780045848 DYEAAUVLLCPYCL-AWEZNQCLSA-N 401.444 1.506 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccc(CNC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780906473 OLBAZBFMBVOMPG-IBGZPJMESA-N 401.488 1.736 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781661598 RMEDJRRVGHQQGE-UHFFFAOYSA-N 409.511 1.682 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 787355400 WPNWJSAUCGIHBY-LBTNJELSSA-N 419.503 1.305 30 10 HDEE C#CCn1ccc(CN(CCOC)C[C@](C)(O)c2ccc(S(C)(=O)=O)cc2)n1 789323041 VQDXXJPYHMQABI-FQEVSTJZSA-N 405.520 1.276 30 10 HDEE C=CC[C@]1(C(=O)NCC2(O)CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 790663600 ZQUBKYXDMBZCFO-LJQANCHMSA-N 416.540 1.388 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 793331003 JXLXHXLWRRVGSN-NSHDSACASA-N 417.418 1.854 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC(=O)N2C(C)(C)C)cn1 796810924 FJNWYKUKGHGWMO-ZFWWWQNUSA-N 409.512 1.104 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)OC(=O)[C@H](C)n1cnc(C#N)n1 798745202 GGYGPLFUCHKDSW-QWRGUYRKSA-N 405.436 1.828 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H](C2)C3=O)C1=O 799026138 FOQCHLCFGOCRPS-NPYXIHBLSA-N 419.522 1.694 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2)CC1 802138587 KSUYKMLLBRFUAA-UHFFFAOYSA-N 401.474 1.729 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 802612218 CSGHOKKJIMQUIB-GOSISDBHSA-N 421.453 1.433 30 10 HDEE CC(C)(C)OC(=O)N(CCNC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 804159898 PEWBOJZVTKDQCT-UHFFFAOYSA-N 404.442 1.829 30 10 HDEE CC(=O)N1CC[C@H](CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 819888186 VNFMVSLZITZCQI-NVXWUHKLSA-N 420.535 1.124 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@@](C)(CCc3ccc4c(c3)OCO4)C2=O)C1 1116539447 VOZGWOBKCBGILD-KKSFZXQISA-N 401.463 1.893 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cc(I)ccc1N 1137592033 VLEKRWVVXDMNGG-UHFFFAOYSA-N 424.246 1.755 30 10 HDEE N#Cc1ccc(NC2CC2)c(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 1138965876 BMIKMIBBJGNMLP-IBGZPJMESA-N 423.448 1.813 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN(c2ccnc(F)c2)CC1 1141009578 LCGYWWFMOHTOLW-CQSZACIVSA-N 417.466 1.108 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1146220537 HTOKRXFDBUBJQE-IFXJQAMLSA-N 417.487 1.426 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1nc(C2CC2)n[nH]1 1159379339 FEZNABVEHAXMDZ-UHFFFAOYSA-N 416.507 1.597 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1noc2cc(F)ccc12 1175426054 FGRZGQQIPGTILP-LLVKDONJSA-N 402.407 1.822 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br 1190504161 KHIWWENAXYTALX-NEPJUHHUSA-N 407.261 1.699 30 10 HDEE C#CCN(CC(=O)NC1CCN(S(C)(=O)=O)CC1)[C@H]1CCCc2ccccc21 1198104112 LUSVPTHFCICCIZ-FQEVSTJZSA-N 403.548 1.539 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2[nH]1 1286360028 BZNFYTVKIWWKAI-AWEZNQCLSA-N 400.508 1.682 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1286374498 NMMUQAITXIFGDC-INIZCTEOSA-N 403.508 1.220 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286389702 OVHRVHTWXPQDLQ-GOSISDBHSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCCN1CCN(CC)CC1 1286406735 GLGSTEIXEWDJAA-UHFFFAOYSA-N 407.566 1.774 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2)cc1 1286407548 MDURYWOLZPIIFB-NRFANRHFSA-N 416.529 1.946 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC(C)(C)C(=O)NCC 1286410951 JTPOMPSFSBYLDQ-UHFFFAOYSA-N 417.517 1.752 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1ccc(C(N)=O)cc1 1286462831 XNCNBAZNBCRELO-UHFFFAOYSA-N 404.474 1.882 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC[C@H]2COCCO2)CC1 1286478642 HUXNCPNOSDPUMQ-FQEVSTJZSA-N 413.497 1.569 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(O)CCCCC2)CC1 1286484352 JFBODGSOXIEVNO-UHFFFAOYSA-N 411.554 1.590 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1286546149 GRKYGUVKPLCNSN-HOTGVXAUSA-N 420.514 1.286 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCCS(C)(=O)=O 1286561010 LKCBFNNERRMCFI-WBVHZDCISA-N 420.539 1.587 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286715990 AMCAQQHISLPCCB-DYESRHJHSA-N 421.542 1.578 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C)nn2C)c1 1290076876 COOCKOUOIBZXSO-IBGZPJMESA-N 407.478 1.985 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN2CCCO)n1 1290588724 AAPWQVUIQGWVRY-IEBWSBKVSA-N 414.558 1.725 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cccc(O)c1 1294870797 MVSIHZSTRVEFQW-KRWDZBQOSA-N 420.418 1.863 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4ncns4)CC3)CC2=O)cc1Cl 1298235020 UKAHJLGSKDJFQC-ZDUSSCGKSA-N 416.894 1.765 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1300310475 XVJSRLFLVCQNNK-DOTOQJQBSA-N 413.547 1.960 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCCn1cnnn1 1300479430 ONTPUJDKNRDFQJ-GASCZTMLSA-N 415.502 1.195 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCC(=O)N(C)C 1300655325 VZBJYNYJYAVDQP-UHFFFAOYSA-N 404.902 1.948 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1301312914 REVJQJFGLCSZRZ-FHWLQOOXSA-N 407.559 1.981 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C1CCCC1 1303710501 IPJNBEPSIYOSLM-SUMWQHHRSA-N 407.492 1.463 30 10 HDEE Cc1cccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)n1 1304489338 FKAHBHZLWVALDP-UKRRQHHQSA-N 405.528 1.430 30 10 HDEE Cc1cccnc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1304582616 BVHXJWGJPQNEGM-INIZCTEOSA-N 400.508 1.672 30 10 HDEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(Cl)cc1 1305589435 ICRDJFIYOYSJGB-UHFFFAOYSA-N 410.821 1.665 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 1307639787 KCQZXWHQEUQHKQ-ZDUSSCGKSA-N 400.460 1.314 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H]3CCO[C@H](c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1312470867 QBDJASXMTGXCJY-PCODUJHASA-N 407.467 1.626 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC[C@@H]1CCOC1 1314388616 PALRSRVVWLKCFW-QGZVFWFLSA-N 411.510 1.834 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1nnc2ccc(C(F)(F)F)cn12 1318452852 BXBDNUHGWJYNLY-CCEZHUSRSA-N 423.355 1.074 30 10 HDEE N#CCSCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCO[C@H]1c1ccncc1 1346856446 MWJQVAQHJSZMIL-GJGATLCTSA-N 400.504 1.664 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1358889325 AGFOLCWLNVLULO-MAUKXSAKSA-N 402.520 1.833 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)C2CC2)c1 1358902716 XCORTNLRHYCRKA-HXOBKFHXSA-N 423.517 1.999 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1358926046 ABTXIBFNEXVDTB-LJQANCHMSA-N 423.565 1.830 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1358933936 JIDCLJSRXKGGFO-QGZVFWFLSA-N 405.462 1.356 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC=C)cc1)[C@H]1CCS(=O)(=O)C1 1358957269 RXKYOOWUPCURCS-SFHVURJKSA-N 400.504 1.826 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(C(N)=O)CCOCC1 1358973321 NUEYFMGMPHZOOP-UHFFFAOYSA-N 412.881 1.348 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCc2c(ccnc2O)C1 1359302435 HLIGOIPVNAJRDT-UHFFFAOYSA-N 405.462 1.229 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)O[C@H](C)C1 1359302678 PYSBODSZNHWGNA-IYBDPMFKSA-N 409.494 1.432 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCC(F)(F)F)C1 1359319954 JIRKJIVRPWFZHS-KBPBESRZSA-N 417.432 1.980 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C1 1359320376 PUMKJXATTDPDGB-CABCVRRESA-N 404.515 1.173 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2Cc2cnnn2C)CCOC1 1360339727 WNCSULCSUXLNEY-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE C#CCN(C(=O)c1csc(I)n1)[C@@H]1CCS(=O)(=O)C1 1435068118 DQBAOOLSQGPERF-MRVPVSSYSA-N 410.258 1.010 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)[C@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1436172999 YDCTXWXAKBEAPU-OXJNMPFZSA-N 403.552 1.898 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1438148676 QNDNNDXGYNYDNB-CVEARBPZSA-N 420.487 1.168 30 10 HDEE N#Cc1cccc([C@H](NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C(F)(F)F)c1 1438754322 HSVGNEDPWMQKGE-HNNXBMFYSA-N 410.377 1.775 30 10 HDEE CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1446558622 VBSXYRAASKHXMC-QGZVFWFLSA-N 419.323 1.628 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1448852759 XIYFMUHWCNFODC-QGZVFWFLSA-N 409.446 1.239 30 10 HDEE C#CC[C@@]1(C(=O)NCCCCn2cc(C(N)=O)nn2)CCCN1C(=O)OC(C)(C)C 1460840471 DOGNDSSGAPGTAE-FQEVSTJZSA-N 418.498 1.066 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CS[C@@]4(C)CCC(=O)N34)c2C#N)C1 1461785393 GZQXGGGHEIRLNL-ACJLOTCBSA-N 404.517 1.917 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 1462273665 VMCDDQHTMMRMEZ-UHFFFAOYSA-N 421.519 1.709 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)c1 1463877518 STCDVHVHSCVMAZ-UHFFFAOYSA-N 412.558 1.690 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1464180770 PWRSKFXYNMZGRO-CYBMUJFWSA-N 415.309 1.675 30 10 HDEE CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1F 1464290661 AUPMZCVTYIHRSZ-UHFFFAOYSA-N 418.516 1.196 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1464994984 UGPOZYIRGLMEEW-INIZCTEOSA-N 421.519 1.983 30 10 HDEE CO[C@@H]1CCC[C@H]([C@@H](CO)NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 1469762099 BNJZJRRLXJTNHS-MTFMMBMASA-N 414.506 1.919 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 1471529258 HZHGIJFDTGQTDP-SFHVURJKSA-N 422.489 1.904 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1[nH]c(C)nc1C 1471981607 UIQJZJNZUKDJAK-OAHLLOKOSA-N 403.508 1.940 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1Br 1472371927 YHAAGDOUSIOXLQ-UHFFFAOYSA-N 421.255 1.232 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478403929 OEZSCPBKVKPGFY-YESZJQIVSA-N 410.563 1.317 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1c(C)coc1C)[C@@H]1CCS(=O)(=O)C1 1507639583 ZTRKDDFYKGHMCU-MRXNPFEDSA-N 406.508 1.699 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1507690596 QMOLOKDLCFZKEA-QGZVFWFLSA-N 415.519 1.304 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1Cc2ccccc2O1 1507690731 WEWIUGJXVWTCMU-IAGOWNOFSA-N 400.504 1.643 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1ccc(NC(C)=O)cc1 1507711071 ZURJIMXGSQYTNY-UHFFFAOYSA-N 421.505 1.966 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cc(OC)ccc2OC)CC1 1507725523 WXTJUSHEFSXIOW-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccs1 1507759121 AZXJZEZORRQMER-HXUWFJFHSA-N 414.535 1.900 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(CC)s1 1507772915 OBDHCTALRRQFPJ-SCLBCKFNSA-N 420.564 1.635 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1 1507797264 COYCSWVKLIXBFF-FUHWJXTLSA-N 413.526 1.726 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCOCC2)CC1 1508036338 MYOGNNJAHYCTPZ-UHFFFAOYSA-N 418.542 1.018 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC[C@H]1CCOC1 1517073839 HWOLMVVNBZMSKI-KRWDZBQOSA-N 424.505 1.538 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(N(C)C[C@H](C)C#N)nnc1[C@]1(OC(C)C)CCOC1 1518647423 KTYCXCMBIVQQMK-IKVWTGGYSA-N 421.542 1.966 30 10 HDEE CCOC(=O)Nc1ccc(NC(=O)CN2CCC[C@H](C(=O)OC)C2=O)cc1C#N 1519549926 AGUYALDZHNHDLR-AWEZNQCLSA-N 402.407 1.477 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cs1)C(N)=O 1527082181 LGNCOXVBCSCIJK-FZMZJTMJSA-N 417.516 1.598 30 10 HDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)CN1CCS(=O)(=O)CC1 1531240827 YTTHSDGQJGUGIM-UHFFFAOYSA-N 400.460 1.723 30 10 HDEE C=CCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2c2nccn2C)nn1 1532509063 GGPCLPNYHDYCRR-HNNXBMFYSA-N 401.471 1.632 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CCC2=O)cc1C 1536180809 YFAHGKBMWAVCHN-FIKGOQFSSA-N 415.515 1.443 30 10 HDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1537679093 KMPVHCRXPLKOIE-GFCCVEGCSA-N 404.448 1.342 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1538962340 HXODBPHVTLICLV-INIZCTEOSA-N 412.494 1.441 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1539264022 VHCIQRMRHHOHCE-QTIQAUKSSA-N 408.462 1.119 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CC(=O)NCC=C 1539390201 MOGSSIXEWHWUBV-UHFFFAOYSA-N 405.437 1.816 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539496453 GCQGXDGXKCQLHB-ARFHVFGLSA-N 407.540 1.083 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1539499749 OXJAHNHMKHWITN-UHFFFAOYSA-N 418.548 1.169 30 10 HDEE C=C(C)Cn1c(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)nnc1[C@@]1(OCC)CCOC1 1539733717 MLCAJVWMRVOKRU-IIDMSEBBSA-N 400.545 1.764 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(C(=O)N4CCOCC4)CC3)CC2)o1 1540606149 HYCNERAYJSPIHO-UHFFFAOYSA-N 415.494 1.169 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1540915235 IOHUHDXHOVWNIJ-KRWDZBQOSA-N 422.599 1.697 30 10 HDEE CCOC(=O)[C@H](CC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)C(C)=O 1543124002 KFXWMYGWKMFWPR-WFOVFMPGSA-N 423.491 1.596 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)cc1 1543376682 CQKAIDCERAVHBD-LJQANCHMSA-N 412.515 1.739 30 10 HDEE COC(=O)[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)C[C@@H]1c1ccccc1 1544571818 KLPVOPZCHQQTGG-ZDPZECHZSA-N 405.458 1.732 30 10 HDEE Cn1cnc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)c1 1548368121 UXPRUIMGOKXLFQ-HNNXBMFYSA-N 406.368 1.127 30 10 HDEE CN(Cc1ccco1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1554182106 QPPWOJXOQPKJBQ-CWFNNOHCSA-N 412.450 1.885 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C)(C#N)CC1 1554504623 IWYRZXMRFDTVOD-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE COC(=O)c1cn(C2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1556139731 JYVIFYLDERRNSA-UHFFFAOYSA-N 417.466 1.099 30 10 HDEE C#C[C@@](C)(CC)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1561584598 FQISHJFDGNNBHT-HNNXBMFYSA-N 400.298 1.720 30 10 HDEE C#C[C@H](NC(=O)NCCN1CCN(C(=O)C2CCCCC2)CC1)C1CCOCC1 1564060340 NYBXZXXTSCAPJR-FQEVSTJZSA-N 404.555 1.439 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531360 RNNHGONQXPIUGR-KURKYZTESA-N 413.478 1.992 30 10 HDEE COc1ccc(CNC(=O)N2CCc3c(CC#N)cccc3C2)cc1S(N)(=O)=O 1564865924 AMYZIMBWIPMTOY-UHFFFAOYSA-N 414.487 1.677 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2=O)cc1 1568689916 NTYPDRFOZDXCJB-ZHRRBRCNSA-N 417.425 1.748 30 10 HDEE C#Cc1ccccc1CC(=O)N(C)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-] 1570675607 YBZIUKJGYXCUGA-UHFFFAOYSA-N 401.444 1.556 30 10 HDEE N#CCSCC(=O)N1CCCC[C@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1585774085 WWXWXNIKAIQIIC-VYUOOHEOSA-N 403.548 1.898 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H](C)CC)n2C[C@@]2(O)CCN(C)C2)c1 1587683162 CVXNWLZBCCFTPA-GAJHUEQPSA-N 424.549 1.914 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1587702086 NQSYKRCLTYBJHP-GOSISDBHSA-N 402.543 1.378 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1587842948 XKBSHNDTNYWGMC-YLJYHZDGSA-N 422.537 1.137 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1588458280 FFBIFBIGQLICQX-GASCZTMLSA-N 414.514 1.685 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)C(C)C)CC1 1588733281 QFCBKLVMPKRORM-OAQYLSRUSA-N 404.559 1.359 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1Cc1ccc(C(N)=O)nc1 1589227788 BRJYTQRWUKYAIS-JOCHJYFZSA-N 401.474 1.798 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)COCCO1 1594943638 VJGKDRFQTFXBPL-NRFANRHFSA-N 410.478 1.620 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1595577543 WPSHWGJRVATFAW-QFIPXVFZSA-N 424.505 1.327 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3CCOC[C@@]3(CO)C2)s1 1597554051 HXFYABRZMPMNMN-KRWDZBQOSA-N 417.984 1.744 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cc1 1598269056 BYCDOZMLWDQBHC-KTKRTIGZSA-N 406.486 1.984 30 10 HDEE O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)NCC#C[C@@H]1CCCCO1 1606801438 KSCBJRIMONSALA-IBGZPJMESA-N 404.532 1.923 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(OCc4ccccc4)ccn3)C2)c(=O)nc1O 1607487865 BUSVWLNWWGUZSL-UHFFFAOYSA-N 403.398 1.492 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(O)CCN(C)C1 1619983930 TYGIEMISSMSZHK-JXFKEZNVSA-N 406.531 1.199 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1620054401 JBWSEVGGDDTNHO-XMSQKQJNSA-N 424.505 1.537 30 10 HDEE COCCOCCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620077070 DNIPBJXTVFSVNW-UHFFFAOYSA-N 421.461 1.538 30 10 HDEE N#Cc1ccsc1N1CC[C@H](N2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)C1=O 1620564239 DNQGZEGIZGVIII-TVFCKZIOSA-N 416.547 1.857 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C1CCOCC1 1622379704 GXKPWVJGQWHGOZ-CQSZACIVSA-N 411.423 1.687 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)Nc2csc(S(N)(=O)=O)c2)CC1 1626997207 BFZPTPYDSPVFBS-UHFFFAOYSA-N 409.468 1.760 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 1628385837 GIUMWQMIUNXPDU-GALDBLJUSA-N 406.446 1.150 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2)c1)C(=O)OC 1629612654 LZJCGMLQTQCHTF-SFHVURJKSA-N 414.483 1.768 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1630276334 LIYPLWNDKVZGCL-RDJZCZTQSA-N 409.508 1.724 30 10 HDEE COC(CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)(OC)c1ccccc1 1630854656 RHCCHFMSBSTZCP-OAHLLOKOSA-N 417.487 1.487 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)N2CCOCC2)c1 1632357132 WYEIAMAEVQMGLE-LJQANCHMSA-N 418.515 1.337 30 10 HDEE CS(=O)(=O)Cc1ccccc1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1633186668 BRFDIMJAWSHXCI-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE COC(=O)C1([C@@]2(O)CCCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)C2)CCC1 1636122591 IWILXNYBRIZNAS-JOCHJYFZSA-N 423.473 1.637 30 10 HDEE Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NCC2(C#N)CCOCC2)CCCC1 1637331684 ANPGGBCWONSPBR-UHFFFAOYSA-N 410.496 1.319 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@@H](CO)[C@@H]1CCOC1 1637561119 HWDOCQZVPFTFGH-NZSAHSFTSA-N 415.490 1.906 30 10 HDEE C=CC1(CC(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CN(C(=O)OC(C)(C)C)C1 1638175165 SVENPSUJRGATMN-LBPRGKRZSA-N 402.455 1.408 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 1638183002 HMXIWYGKIDIGOQ-IRXDYDNUSA-N 400.410 1.728 30 10 HDEE N#Cc1cncc(CNC(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)c1 1638830643 JLFXYHQTUYKUQE-UHFFFAOYSA-N 401.379 1.379 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CCO2)cc1 1639637946 JRVMMIMAGGBXFQ-HXUWFJFHSA-N 414.483 1.467 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1639950088 FWKQVPNFGIUOJS-LJQANCHMSA-N 405.476 1.083 30 10 HDEE N#Cc1cn(CCC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c(=O)nc1O 1640053409 RACQXQVIOWWSQQ-UHFFFAOYSA-N 413.400 1.132 30 10 HDEE CCOC(=O)C1=CC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1641431301 PODSHISFCNIYGO-OCCSQVGLSA-N 405.476 1.272 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCC(=O)c2ccc(CCC)cc2)CC1 1643369515 FMQPDRRVBYQNGN-UHFFFAOYSA-N 405.520 1.214 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1cccc(Br)c1)C(F)(F)F 1645009855 ICSFIISXKLPHAT-JTQLQIEISA-N 414.203 1.688 30 10 HDEE Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648029103 XSSXYRFWJPSEAV-SFHVURJKSA-N 423.473 1.357 30 10 HDEE Cn1c(=O)[nH]c(N(Cc2ccccc2)C[C@]2(O)CCc3ccccc32)c(C#N)c1=O 1650893122 ARJJZOMRKGBRNC-HSZRJFAPSA-N 402.454 1.786 30 10 HDEE C=CCCn1cc(CN2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)nn1 1652242270 WAOJVVLDUSATTI-SFHVURJKSA-N 418.542 1.898 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1 1652764280 XOLOYHNDFOANFL-AWEZNQCLSA-N 414.487 1.656 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@H](C(F)F)CC2)CC1 1654471868 FGAZJLUMFLJDHK-MSOLQXFVSA-N 410.440 1.891 30 10 HDEE O=C(CN1CCC(N2CC[C@@H](O)C2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1655128014 ZGAKNRUUWKHGJF-LJQANCHMSA-N 409.452 1.704 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1658670493 HAIFQXAYUSJTMB-PMACEKPBSA-N 418.582 1.733 30 10 HDEE CC[C@](COC)(NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)OC 1658897802 CPVNOQOVJNLLSY-GOSISDBHSA-N 400.397 1.731 30 10 HDEE CN(Cc1ccccc1)[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CC1 1671967080 RJLSYUOVOYMWPQ-ZJOUEHCJSA-N 416.547 1.477 30 10 HDEE C[C@@H](NC(=O)NC[C@H](O)CS(C)(=O)=O)c1ccc(-c2cccc(C#N)c2)cc1 1681283360 KBRXBJMWSCUJKN-KUHUBIRLSA-N 401.488 1.991 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]43)[C@H](OC)C2)CCOCC1 1683290224 ZZAKTFKTIDEEMM-CENDIDJXSA-N 402.535 1.975 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)nn1 1683315615 XMNKFQRVNDKSOG-UHFFFAOYSA-N 424.552 1.359 30 10 HDEE CC[C@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)OCCc2ccccc21 1686690673 BLJANQPRJADAID-FFZOFVMBSA-N 403.504 1.444 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(OC)nc1OC 1689824152 JFGBRMYKPNTNDD-CQSZACIVSA-N 421.461 1.844 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)CN1CCOCC1 1690523452 APUZBMFFCSOAMN-OAHLLOKOSA-N 402.499 1.596 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1690648123 HFDPMZNPCMIQOP-UHFFFAOYSA-N 409.469 1.924 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(F)c2)C1 1690686428 NTEMYOPZUPUEBI-YOEHRIQHSA-N 423.514 1.857 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)Oc1cccc(F)c1 1692707850 DAQZJEMPENITJZ-XYPHTWIQSA-N 414.441 1.565 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)C1 1692852396 IZTMIJPMOWGBTR-JTDSTZFVSA-N 407.540 1.737 30 10 HDEE C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1693809069 AJJOIMULWIWDJS-CVTQAYBASA-N 423.477 1.015 30 10 HDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1695004607 HILZPLPZGGIMMX-ARJAWSKDSA-N 420.521 1.960 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1697777335 NPVKDPMPDSXLRZ-NJAFHUGGSA-N 412.469 1.764 30 10 HDEE COCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1698071919 SDEYSXRFYHIUFG-QLFBSQMISA-N 406.487 1.424 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1705479099 IPJVICWSNBCIBU-XMSQKQJNSA-N 419.570 1.887 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1705572813 PKJBDTOQMKRKCO-LJAQVGFWSA-N 410.503 1.299 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCc1cccc(C(=O)NC)c1 1705626533 ZLXXMCGPLVAPRA-UHFFFAOYSA-N 420.517 1.972 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)N(C)C 1705861299 AYNFIXQCJDEKEU-GOSISDBHSA-N 419.551 1.866 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 1705897566 OLRXTTAQERUEOZ-ZDUSSCGKSA-N 400.487 1.032 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCSC(C)(C)C1 1705907516 PDTOKLOJIPTFHB-UHFFFAOYSA-N 403.556 1.774 30 10 HDEE COc1ccc(Cn2c(Cn3nc(C)cc3C)nnc2N2CCO[C@@H](C#N)C2)cc1O 1711853448 GAZJRHSDZGHIHY-KRWDZBQOSA-N 423.477 1.631 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1722320373 XSJMFYXQTNDAAS-INIZCTEOSA-N 414.510 1.844 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722321526 GWQBCNQEMDMGCM-KKSFZXQISA-N 403.527 1.994 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722334659 HWKHLMHDKAKLEZ-GOSISDBHSA-N 421.549 1.466 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCOC1 1722426973 IWZZLWBHXCNRMS-HXUWFJFHSA-N 404.442 1.234 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCN(CCC)CC2)CC1 1722436541 AWNNOMUTIUQBPD-HXUWFJFHSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1722456475 ZYEAYLNXIXMUJV-UHFFFAOYSA-N 413.551 1.040 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Oc2ccccn2)C1 1722458032 BWOURYHPHUXPNO-HOTGVXAUSA-N 412.519 1.648 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1722637399 IBRWWYXZTCBTMN-UHFFFAOYSA-N 415.523 1.644 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)c2ccc(F)cc2)CC1 1722685155 SWQSUXYWHZYRPE-QGZVFWFLSA-N 412.469 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1722693321 JZXUAGHXXYUXML-HXUWFJFHSA-N 416.913 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](OCc2ccccc2)C1 1722698004 SCEUKVHXNSEIDH-IBGZPJMESA-N 421.505 1.776 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCC[C@H]2C)C1 1722720622 NBDUTOSHCVCURQ-LZJOCLMNSA-N 403.527 1.733 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C[C@H]1C 1728615173 OQFVMEICXMMGNI-LSTHTHJFSA-N 410.522 1.887 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1CCCO)[C@H]1CCOC1 1729351118 GCAIHXYXADRHQA-UXHICEINSA-N 410.522 1.889 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C(C)C)C1 1729722814 AUVTZTOPCYCKFE-SFHVURJKSA-N 412.494 1.726 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2Cc2ccc(C#N)o2)CCN1S(C)(=O)=O 1731152567 LTRPLCWDARECOR-ZDUSSCGKSA-N 404.496 1.214 30 10 HDEE C#CCN(C)c1nnc(CCCc2ccccc2)n1CCN1CCN(C(C)=O)CC1 1740618657 IJXXHOGXDMNZJT-UHFFFAOYSA-N 408.550 1.687 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622774 IJSUWWWAHOSMAD-MDYRTPRTSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(C)(=O)=O 1740632043 WJPOEGRDUOIFTE-OAHLLOKOSA-N 404.467 1.675 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1740759184 ARLYVTBJNHNWRP-RYQLBKOJSA-N 423.583 1.997 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCC(OCC(N)=O)CC1 1740760308 HXKIQONDJMVYMA-APWZRJJASA-N 403.527 1.998 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)on2)CC1 1740813477 HPGUFDOZRCWZQA-UHFFFAOYSA-N 419.917 1.772 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1740848176 DJYBWHBPOXYTDC-CABCVRRESA-N 401.515 1.388 30 10 HDEE C=CCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740881623 MHKBNEIBQZOBDF-APWZRJJASA-N 412.556 1.908 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCCc1ccccc1 1740899653 OGMXDHSJHAAFDO-QGZVFWFLSA-N 417.535 1.161 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1740900033 SUHNQGNMJMRRNE-KRWDZBQOSA-N 402.520 1.923 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740947414 ZZTNBSZHZQZZMZ-KRWDZBQOSA-N 421.567 1.595 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C)s1 1740963822 YCOITWVFZIADLL-UHFFFAOYSA-N 402.524 1.709 30 10 HDEE C[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 1741127683 GQCFYZHIEDGWSY-HOTGVXAUSA-N 412.494 1.990 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1cccnc1 1748960698 MWXBSYKILOCLAK-UHFFFAOYSA-N 408.462 1.730 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOC[C@@H]2CCOC2)CC1 1748992670 DWDQNERYRKHYLP-FQEVSTJZSA-N 424.549 1.462 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C(=O)NC)CC1 1749277390 BCSKMMZMWVNUKP-UHFFFAOYSA-N 422.942 1.985 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)C1CC1 1749669389 KCWICPGAMVJWAR-UHFFFAOYSA-N 410.526 1.743 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749672021 NVVGZPKSTOROMB-IYBDPMFKSA-N 403.870 1.386 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N(C)C)CCOCC1 1749954493 PYFDILNKKYWEFY-APWZRJJASA-N 424.521 1.555 30 10 HDEE O=C1CC[C@@H](c2nnc(N3CCCCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)N1 1750415757 DMJVEEJJZQIKQO-HMWBCQRISA-N 413.482 1.136 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C)c(Br)c2)n1Cc1nnn(C)n1 1760167492 RMCGWCTWVPLZNO-UHFFFAOYSA-N 401.272 1.657 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCOCCS(C)(=O)=O 1760176644 CZBZWEKGIFBJJO-UHFFFAOYSA-N 415.519 1.481 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)cc1 1760222543 OOXIUIDSNLHLPK-PMACEKPBSA-N 421.501 1.612 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(N2CCOCC2)CCSC1 1760224288 DVUUPLFLBGVAAL-HXUWFJFHSA-N 420.583 1.084 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1760357973 PWXHETKVBKQMLQ-VQIMIIECSA-N 410.540 1.390 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760359886 XFZDRJYJLIXLRJ-MRXNPFEDSA-N 402.524 1.737 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cnccn2)CC1 1760429501 FHOIWGVXMJLAOU-UHFFFAOYSA-N 410.526 1.873 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1762228600 SGBWDZRNQKLHDT-DLBZAZTESA-N 418.542 1.866 30 10 HDEE CCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1764372833 YCPZLPADKKDATR-HOTGVXAUSA-N 414.514 1.789 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H]1CCC(=O)N1 1767969509 MNINDTZUNHFQQG-LJQANCHMSA-N 423.521 1.287 30 10 HDEE CCS(=O)(=O)NCCCn1c(C2CC2)nnc1N(C)Cc1ccc(C#N)cc1 1768286008 OYVZCERXHSPVCZ-UHFFFAOYSA-N 402.524 1.993 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1769721056 CXSAHIKJRIOMET-FQEVSTJZSA-N 415.519 1.868 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNC(=O)c2cc[nH]n2)C[C@@H]1O 1771488272 QJRBOXXWWKSNEO-KDOFPFPSSA-N 420.477 1.177 30 10 HDEE O=C(CSC1=NS(=O)(=O)c2ccccc21)ON1C(=O)c2ccccc2C1=O 1772785871 KFCGTKKATZXMOD-UHFFFAOYSA-N 402.409 1.623 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CCn3nnc4ccccc4c3=O)CC2)CC1 1849211476 CATOOPTZAKBKHD-UHFFFAOYSA-N 422.489 1.182 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1)CC2 1849237805 STBHBRXBZWGVLC-KRWDZBQOSA-N 419.894 1.673 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(Cl)c(NC(=O)CCN2CCCCO2)c1 1851771038 SAPNMVUSIQZYON-UHFFFAOYSA-N 400.888 1.888 30 10 HDEE Cc1cccc2nc(C(=O)Nc3nc(N4CCN(C)CC4)c(C#N)cc3C#N)cn12 1851871885 VLPRXFICFZOWNP-UHFFFAOYSA-N 400.446 1.785 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N=C2C[C@@H](C)N(c3ccc(Cl)cn3)N2)c1 1852106845 STFNZTBTZCEQLE-LLVKDONJSA-N 407.883 1.985 30 10 HDEE Cn1cc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c(C(F)(F)F)n1 1852350263 DABOZTKSSQJZEL-UHFFFAOYSA-N 408.384 1.685 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@@H]1C(=O)N1CCc2ccccc2C1 1853547604 MOXQOLKLYSAGQY-HXUWFJFHSA-N 423.517 1.628 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](C3CCN([C@H]4CCS(=O)(=O)C4)CC3)CC2=O)c1 1853919736 DPWUZWBXLDOZEG-MOPGFXCFSA-N 415.515 1.446 30 10 HDEE CC(C)n1cc(CN(C)[C@@H]2CCN([C@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065086 IAUBHZUXSKELHK-MOPGFXCFSA-N 400.527 1.791 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(C)cnc2C(F)(F)F)C1=O 1854194782 VZNPJCUIQWBSQK-HUUCEWRRSA-N 424.423 1.869 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@H]1C 1854258951 QUWVEBOVLCPBEW-RHSMWYFYSA-N 409.483 1.224 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc3n(n2)CCCC3)C1=O 1854263082 POGWYOYNAWRXOM-OALUTQOASA-N 413.522 1.459 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)[C@H]4CCOC4)C3=O)CC2)CC1 1854370699 MGVGMRNKYDUSGU-OALUTQOASA-N 416.522 1.015 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)COc3cccc4ccccc34)C(=O)C2)C1 1855046175 RYRNOEXHZRBKOL-LJQANCHMSA-N 406.486 1.877 30 10 HDEE C[C@@H]1CN(CCC#N)c2ccccc2N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1=O 1855452813 QKAYTKAYACARMQ-CQSZACIVSA-N 416.503 1.340 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)Cn2cnc3ncccc3c2=O)C1 1855463583 PIOGBEADWXHFBL-DLBZAZTESA-N 409.490 1.597 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2nc3ncccc3cc2Br)C1=O 1856437695 LLATUIVWYABNPH-CYBMUJFWSA-N 402.252 1.979 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)c4cncnc4)C3=O)CC2)n1 1856972652 WUYLEGSFPAFFII-GOSISDBHSA-N 406.446 1.275 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)nn1C(C)C 1857113371 QXDKKVIRXFNXFB-SFHVURJKSA-N 408.462 1.543 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCN(C(=O)Cc4cccs4)CC3)C2=O)c1 1857389909 DCLXENRJPCRWDJ-LJQANCHMSA-N 422.510 1.748 30 10 HDEE N#Cc1ccc(NC(=O)c2cc(=NCCc3ccc(S(N)(=O)=O)cc3)[nH]cn2)cc1 1858249351 WHRXZFIEWVQENB-UHFFFAOYSA-N 422.470 1.324 30 10 HDEE Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccccc2C#N)C1 1858338313 XNYUAHSSEDISPD-MRXNPFEDSA-N 405.501 1.608 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 1860727446 NFSCLSRTYDCECL-BJMVGYQFSA-N 417.399 1.641 30 10 HDEE C[C@@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868783935 UOWBFEKTZFJANL-RHSMWYFYSA-N 404.536 1.513 30 10 HDEE COC(=O)c1sc([C@@H](C#N)C(=O)CN2CCN(c3ncccn3)CC2)nc1C 1872797812 VZOGLQJQLLRJTK-ZDUSSCGKSA-N 400.464 1.027 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](N=c2[nH]ccc(C#N)c2Cl)[C@H](S(C)(=O)=O)C1 1877659355 NMHPYBQMDIRDAN-NWDGAFQWSA-N 400.888 1.473 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC[C@H](Oc3nccnc3N(C)C)C2)cs1 1889561471 ARQDHXQHKFEOMX-ZDUSSCGKSA-N 416.507 1.599 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@@](NCC#CBr)(C(=O)O)CS2 1904521994 MGPUEMNJNLPFSF-HNNXBMFYSA-N 405.314 1.882 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)NCB2OC(C)(C)C(C)(C)O2)CC1 1985103507 WHIZOBISAQOMFE-UHFFFAOYSA-N 411.352 1.971 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1 2044245109 DTOHRVDAQXQECQ-KRWDZBQOSA-N 400.460 1.830 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc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c1cc(F)ccc1C#N)C(=O)O 2195346250 PHCIQIXQNCBMFY-AWEZNQCLSA-N 400.428 1.980 30 10 HDEE C#CCN(C(=O)[C@](C)(NC(=O)OC(C)(C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 2203913663 XQSYWSKBUIEEGT-LIRRHRJNSA-N 400.541 1.965 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C 2221679843 LWWAJGDLVMOCMX-UKRRQHHQSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2cccc(B3OC(C)(C)C(C)(C)O3)n2)C1 2247660045 BVYCQBVLSXFUHS-ZDUSSCGKSA-N 419.287 1.800 30 10 HDEE CC(C)(C)OC(=O)N(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CC1 2247830364 YRRSVMDDGQUPAC-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247943395 FQSOEAUBXUIWTO-HIFRSBDPSA-N 419.331 1.967 30 10 HDEE COC(=O)CN(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248063502 MABAPZNCESNMFR-UHFFFAOYSA-N 411.267 1.591 30 10 HDEE C[C@@H]1SCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703160 RNQJIICSADCGKL-QWRGUYRKSA-N 404.388 1.756 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267713818 ROTGZGNMEXGKSA-HNNXBMFYSA-N 407.388 1.440 30 10 HDEE NCC#Cc1c(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc(F)c1F 2268007102 NQOWNIQRTLVANI-UHFFFAOYSA-N 419.409 1.313 30 10 HDEE CCc1nn(C)c(C(=O)N2CC[C@H](C3OCCO3)C2)c1B1OC(C)(C)C(C)(C)O1 2281990182 JUUBJJFVHUOBFE-ZDUSSCGKSA-N 405.304 1.117 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281994061 KETIUPQBHDLGAK-SNVBAGLBSA-N 402.709 1.197 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC2(CC1)OCCO2 2282053612 WEUWMOQRUKYKEB-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE Cc1cc(C(=O)NCCS(=O)(=O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282178124 LSEDRBXBBLUSOJ-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1C 2282333185 LHXGVMZKXYKWOO-STQMWFEESA-N 400.375 1.760 30 10 HDEE CN(C)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338592 SDWVFXUVSKEGCM-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCC3CCNCC3)s2)OC1(C)C 2282345564 HUPIGBYXYFQLOK-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE C[C@H]1CNC[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349713 CGCYRJCXGBPBEA-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@H](O)C[C@H]1CCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491102 LZHZOGVBJQJINY-QWHCGFSZSA-N 401.359 1.971 30 10 HDEE Cn1nc(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)cc1F 2282493147 RWXVLLZQUGRXTC-UHFFFAOYSA-N 402.282 1.257 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H](F)C2CCC2)OC1(C)C 2282495733 QLCVNJNGJZUXFY-LBPRGKRZSA-N 404.338 2.000 30 10 HDEE CC(C)[C@@](C)(CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506258 PSKGBLWIEZSQBI-MRXNPFEDSA-N 403.379 1.235 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCS(=O)(=O)C(C)C)s1 2282660469 ZEAGHAIHOBVQGP-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CO)C1(C)CC1 2282837643 WETQECBKXAELTF-ZDUSSCGKSA-N 401.359 1.795 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282847303 XHKVZRQHNBJKAZ-RUZDIDTESA-N 402.347 1.390 30 10 HDEE CC(C)[C@H](CN(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848064 IPIHOXXYZZHMTA-ZDUSSCGKSA-N 402.391 1.912 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H]2CCCCC[C@@H]2N)OC1(C)C 2282849790 GZANBHPTJHMZCQ-KBPBESRZSA-N 400.375 1.986 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@@H]1O 2282850926 VENHLQGZNPSCPV-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(C)(C)C1 2282853565 FOMCNYLPNCXTKS-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCNCC(F)(F)C2)OC1(C)C 2282856734 XHPYKACJTYWHPO-UHFFFAOYSA-N 408.301 1.277 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)c3cncc(Cl)c3)s2)OC1(C)C 2284125543 OKZRAILPQMPJIJ-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC[C@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284402796 LESIUQQAFUBFQM-LLVKDONJSA-N 403.331 1.827 30 10 HDEE Cc1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284407726 OJCDKGVWCDFTEL-SNVBAGLBSA-N 419.355 1.504 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@@H]2CC(=O)O)OC1(C)C 2284414989 VCKMHJBQEJKNDT-PWSUYJOCSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@](C)(O)CC(=O)O)c2Cl)OC1(C)C 2284444123 NTRXYDHVVHEBDL-INIZCTEOSA-N 403.693 1.656 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@H](O)CCC(=O)O)sc2Cl)OC1(C)C 2284466574 QKIJHHUGYNGZHT-SECBINFHSA-N 403.693 1.656 30 10 HDEE COc1cc(C=Nn2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 2329056086 KLEHFEBXBZPDFV-CQSZACIVSA-N 419.507 1.683 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccnc1 2330748039 UPRYYJYHJLDAFH-UHFFFAOYSA-N 416.492 1.379 30 10 HDEE COC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2361733483 NZNUOJVFGJXFKO-SECBINFHSA-N 415.264 1.903 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367789027 RETXDJHBIQVVKQ-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCO1 2367789254 RRRUAMAYCKBLTO-XHSDSOJGSA-N 400.541 1.617 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCOC)NC(=O)OC(C)(C)C 2367798009 PFGAGEYBKSUEGI-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798450 QTGMZWRZMCDNKF-DYVFJYSZSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCC[C@@H]1CNC(=O)OC(C)(C)C 2367815468 LUDFXLGQAWAQPQ-CLCXKQKWSA-N 400.541 1.211 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2367820897 SDJPJEQNFTVQKX-HNNXBMFYSA-N 400.541 1.307 30 10 HDEE Cn1nc(Br)nc1[C@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2382104045 LKKBIWOJGHRCCE-WDEREUQCSA-N 400.074 1.753 30 10 HDEE COc1cccc(COC/C(N)=N/OCC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 148982088 UPRQVHZBAZLXFD-UHFFFAOYSA-N 414.462 1.841 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1cc([N+](=O)[O-])c(O)cc1O 169904785 ZFMZNXUYJPDRTP-FRKPEAEDSA-N 401.784 1.980 30 10 HDEE CCOC(=O)NS(=O)(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404814414 JWQMFQOFLLMTFI-UHFFFAOYSA-N 404.319 1.470 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1N 430987530 KWSBRXZWCTWQFT-UHFFFAOYSA-N 414.896 1.845 30 10 HDEE Cc1oc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 435401530 MEWZRNLMRWDBNV-UHFFFAOYSA-N 404.404 1.515 30 10 HDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3ccc(OC(C)C)c(C#N)c3)CC2)n1 435832397 AORCFGQQYGULSS-UHFFFAOYSA-N 412.450 1.320 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)C(=O)OC)nnc12 438976831 UJNQKSKYUNZDCJ-ZDUSSCGKSA-N 415.475 1.390 30 10 HDEE COc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)cc1C(=O)N(C)C 462394171 LVVFFRZHAGYVIP-UHFFFAOYSA-N 403.460 1.626 30 10 HDEE C=CC[C@@H](CC)NC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 466379600 ZWQIKQUOMCJYQX-QZTJIDSGSA-N 402.543 1.906 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)cc1C#N 476463824 SLZKVJHRGJHFQL-ZDUSSCGKSA-N 403.508 1.149 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NC[C@H]3CCCN(CC#N)C3)CC(=O)N2C(C)(C)C)cn1 480119756 SLZXYMORGNEJHO-SZVBFZGTSA-N 400.527 1.460 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)c1cc(Br)ccc1OCCOC 486682933 JZFYOLSXYPGXAD-UHFFFAOYSA-N 407.286 1.055 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)cc1C#N 489259137 UWMKRGIWIRKKJR-AWEZNQCLSA-N 409.265 1.529 30 10 HDEE C=CCN1CC[C@@H](N2CCN([C@@H]3CCN(CC=C)C3=O)C3(CCCCC3)C2)C1=O 499551635 GPORRLYPOJEHQQ-WOJBJXKFSA-N 400.567 1.881 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N[C@H]2CCOc3c(Br)cccc32)CCO1 499722162 YHROUOWBDVAGJJ-GWCFXTLKSA-N 402.270 1.331 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc3ncc([N+](=O)[O-])n3n2)CC1 502407758 OUYLMFMSRXBRGU-UHFFFAOYSA-N 413.419 1.020 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 504368893 BTNVUQYLZMQWRO-KRWDZBQOSA-N 405.520 1.770 30 10 HDEE CN(CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)Cc1cnc(N(C)C)nc1 506006279 GGEQWUKPKOQUBH-QGZVFWFLSA-N 413.551 1.445 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 509009577 DDLPWJZFVMJXLO-FQEVSTJZSA-N 422.533 1.885 30 10 HDEE C[C@H](C(=O)N(C)CC(=O)NC1CC1)N1CCC(Oc2ccc(C#N)cc2F)CC1 512811215 CKTUNTYVWHXORB-CQSZACIVSA-N 402.470 1.666 30 10 HDEE N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 518026890 RYUFXWAFUPCRSY-RCCFBDPRSA-N 403.504 1.801 30 10 HDEE CO[C@@H](C)c1noc(CN(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)n1 540551723 QKPYVQHQJBMEBA-GJZGRUSLSA-N 418.523 1.679 30 10 HDEE C=CCN(C(=O)Nc1cnn(CC(=O)NC2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 540553042 CGLPPTJIVKQWDL-MRXNPFEDSA-N 409.512 1.149 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)c(OC)c1 573659121 XXEPLFLSXULJAF-UHFFFAOYSA-N 418.475 1.490 30 10 HDEE CCN1CC[C@H](NC(=O)C(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C#N)cc2)C1=O 585760793 AJEGIGXAQIEPOM-INIZCTEOSA-N 422.489 1.717 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)CC1 592076652 UGBNFDGOFSRAHA-KRWDZBQOSA-N 424.567 1.849 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)cc2)c1N 608924559 RJCCTCWUNRISMK-INIZCTEOSA-N 408.462 1.037 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@H](C#N)c3ccccc3Br)cnc21 609592496 YSIBJXXYRCYFAH-CYBMUJFWSA-N 401.224 1.274 30 10 HDEE Cc1nc(=NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)n(-c2ccc(C#N)cc2)[nH]1 610232876 OYJNIPBPDJANQL-UHFFFAOYSA-N 411.425 1.976 30 10 HDEE COCCNS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C#N)cc2F)cc1 610330686 QVXFGOXZIWSIPB-UHFFFAOYSA-N 406.439 1.944 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)CCC(=O)N(CCC#N)c1ccccc1)CC2 610626048 QQCSVMAKCVOXPY-UHFFFAOYSA-N 407.474 1.875 30 10 HDEE CCOc1cccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 610814536 OIVINVOCAPKFTP-CQSZACIVSA-N 402.476 1.378 30 10 HDEE CN(Cc1ccccc1C#CCO)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703969812 LRRFWDZBXVXHAA-UHFFFAOYSA-N 412.467 1.088 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)CCC(=O)N1CCOc2ccccc21 731622067 LCOHHJJJDSAKRV-UHFFFAOYSA-N 400.479 1.267 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)c3cccc(C#N)c3)CC(=O)N2C)cc1 734963767 MDEQBORBLXNIHE-HKUYNNGSSA-N 413.455 1.591 30 10 HDEE CC(C)[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)NCc1ccccc1F 741340442 DWYDNEWOMATZDL-LAFOYAEKSA-N 417.437 1.926 30 10 HDEE C#CCOc1ccc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)cc1 741682453 LEIZCVKNVOSSPW-UHFFFAOYSA-N 413.499 1.569 30 10 HDEE CC(C)CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 746036479 ATHJJBFKWOVFMC-VHEBQXMUSA-N 414.462 1.693 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(OCCCOC)C1 748009888 FMVBGIPOECDAAE-QGZVFWFLSA-N 423.535 1.548 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)CC1 758664800 XNKUWDOLHVZMIV-KRWDZBQOSA-N 418.925 1.135 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2C(=O)OC(C)(C)C)c1 759865798 DUVSFORLEJNTPF-QGZVFWFLSA-N 406.504 1.935 30 10 HDEE CS(=O)(=O)c1cc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 763382168 QMPZKOGJESSERP-UHFFFAOYSA-N 421.435 1.482 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2C)N(CCc2nnnn2C)C1=O 771537823 MRWBHNUMRCDASH-AWEZNQCLSA-N 401.496 1.137 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)CCNC(=O)OCc2ccccc2)cc1 771770707 INZKQPOVAXUMMY-UHFFFAOYSA-N 403.460 1.783 30 10 HDEE C#CCN(C(=O)Nc1ccc(CNC(=O)OC(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774049608 UWWYECUQBBBMCN-KRWDZBQOSA-N 407.492 1.975 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](C(=O)OC)c3ccn(C)n3)ccc2c1=O 797758941 SEESMEYWCGQZFG-HNNXBMFYSA-N 413.459 1.249 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798743163 ZOUQSODWRWMCMB-STQMWFEESA-N 401.423 1.539 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 800777490 PIMNVUZLRYBJQK-QGZVFWFLSA-N 400.439 1.787 30 10 HDEE C#CCC(CC#C)C(=O)O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1 803699672 MBCWSNXPFDPWDU-HNNXBMFYSA-N 404.488 1.906 30 10 HDEE C#C[C@H](NC(=O)C(=O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCO1 809305459 DHIBLCQKCQYBFH-ULQDDVLXSA-N 408.401 1.485 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC/C=C\c2ccc(Br)cc2)C1=O 1129298422 UXVQWDAYOQMFSE-ARJAWSKDSA-N 406.236 1.555 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 1146220267 CAKCORSBUQOPAD-SFHVURJKSA-N 417.462 1.944 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC(O)(CN2CCOCC2)CC1 1152143636 GSRDWGZVWJSABI-QGZVFWFLSA-N 424.542 1.259 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1F 1157531033 NLLNDRHMBDETAE-QGZVFWFLSA-N 403.435 1.819 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N[C@@H](C#N)CO)Cc1cc(F)c(F)cc1F 1157962449 DDUSIIQTUSWUDZ-NEPJUHHUSA-N 401.385 1.930 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 1160986535 KRBACTJMMBUTGL-UHFFFAOYSA-N 415.515 1.647 30 10 HDEE N#Cc1cn(CCNC(=O)c2ccccc2NC(=O)c2ccccc2)c(=O)nc1O 1167523757 RFPXIBKPNAWQOR-UHFFFAOYSA-N 403.398 1.503 30 10 HDEE CC(C)(C)NC(=O)[C@H]1CCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1176344084 ADBIEEBOCAQDNU-IAGOWNOFSA-N 417.579 1.836 30 10 HDEE C#CCN([C@@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cnc(N)nc1 1186995885 ASNXCTBLTUFJMA-CQSZACIVSA-N 423.292 1.969 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C(=O)N3CCCC3)c2)CC1 1189612800 DHNYUZWNDROPKF-UHFFFAOYSA-N 421.494 1.212 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1192130829 FUGMQZMTKBALGN-SNVBAGLBSA-N 408.245 1.427 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CCCC)c2ccc(OC)cc2)CC1 1226748847 ZKXXVWYIGMTMNL-LJQANCHMSA-N 422.551 1.721 30 10 HDEE C=C[C@@H](C)ONC(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1230571300 KWGPDVHVEYBIAQ-LLVKDONJSA-N 406.302 1.841 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1 1248403196 VZCZUYLSIUPRFI-WKILWMFISA-N 400.504 1.655 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CCO[C@@](C)(C#N)C1)Cc1ccc(C(F)(F)F)cc1 1252627554 XLHQQRBRVCSQOX-KDOFPFPSSA-N 412.412 1.934 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)[C@H]1CC 1286534372 AZXGQVZNXJCECB-CHWSQXEVSA-N 416.320 1.626 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2C[C@@H](O)[C@H](CC(=O)OC)C2)nnc1C(C)(C)C 1286565227 ZIVCEUWFMRGFOU-KONPQCLYSA-N 406.527 1.917 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCS(=O)CC1 1286567338 UWMOZJOEXJSGEF-HKUYNNGSSA-N 401.536 1.814 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1286626140 XIWKSSSJGVOQDF-IBGZPJMESA-N 415.885 1.907 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286672117 GSZBHFZXJWZGHC-AUUYWEPGSA-N 409.556 1.484 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1286758526 PJTWARXQGGJKEJ-ZDUSSCGKSA-N 412.466 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCc1cccc([N+](=O)[O-])c1 1286785707 QLRJOHCDKYOGAJ-UHFFFAOYSA-N 424.465 1.568 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS(=O)CC2)nnc1C1(c2ccccc2)CCC1 1286793887 OYMHDHGNEUFHLN-UHFFFAOYSA-N 413.547 1.619 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(=O)OC)C1 1286830334 LDMZVCSMQAZSRZ-ZDUSSCGKSA-N 419.507 1.924 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1290464524 BMDSETNQWLEMCR-DYVFJYSZSA-N 406.458 1.620 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)s1 1290681709 NTEJKJVCNVSWPU-OCCSQVGLSA-N 423.568 1.569 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1nnc(C)s1 1292132865 DTCUEQDILZEORH-CQSZACIVSA-N 418.527 1.328 30 10 HDEE N#Cc1cn(CCC(=O)N2CC(Cc3ccc(C(F)(F)F)cc3)C2)c(=O)nc1O 1294515107 GEHWLRWUEFETBA-UHFFFAOYSA-N 406.364 1.931 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1295067580 WCKWBPGQFYBHGW-SFHVURJKSA-N 412.494 1.537 30 10 HDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C 1296172845 AVKBRBFDYHAHCF-FUHWJXTLSA-N 423.521 1.538 30 10 HDEE CCO/C=C\[C@](O)(CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1298576801 SRQMYSUFPVUJNY-OANZSSJVSA-N 411.380 1.871 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CC1(C(N)=O)CCOCC1 1300320779 JWGJZMOVQIVQHF-QGZVFWFLSA-N 411.506 1.906 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC=C)CC1 1300725764 JVKPADZAHFAACS-UHFFFAOYSA-N 400.527 1.135 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCN2CCN(C(C)=O)CC2)CC1 1301086480 WTXHVEXRXSQXDB-IBGZPJMESA-N 402.543 1.493 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1301222897 IUJHJAGVVASCEO-HOCLYGCPSA-N 422.555 1.187 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNS(=O)(=O)CC 1301303075 TWRSTZIYWMICAW-UHFFFAOYSA-N 403.512 1.078 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301491926 RKWGAHPTNICELU-NRFANRHFSA-N 421.461 1.150 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1301508151 FHAZQQQUTLXTOT-OAHLLOKOSA-N 423.564 1.246 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC=CCO2)C1 1301540112 ZIZDRQTTWZBGAI-HRCADAONSA-N 411.528 1.015 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N(C)Cc1ccc(C(=O)NC)cc1 1301586354 GTJBFDLERUJMFH-UHFFFAOYSA-N 405.524 1.437 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)Cc3cncs3)ccc2c1=O 1301776449 UUSSVUWYHDPEGB-LBPRGKRZSA-N 402.501 1.661 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@]1(C)COCCO1 1302052685 NZTJUOUQZKLGIB-LSTHTHJFSA-N 407.515 1.938 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1302223715 JDHLIKRRAJWJJL-NRFANRHFSA-N 413.478 1.475 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1C[C@H]1CCC(=O)N1 1305121792 KZZOXXRCBJPVQL-LSDHHAIUSA-N 423.525 1.231 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CC1 1311377691 CWDMZEAOVDERDV-UHFFFAOYSA-N 417.485 1.436 30 10 HDEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CC#N)S(C)(=O)=O 1313799651 FHXYXRVLJKXRJX-HOTGVXAUSA-N 412.560 1.930 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1316135785 SDWMAILDECPVLK-DLBZAZTESA-N 414.510 1.842 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1358903763 IXOIMWLBJCEUTO-CVEARBPZSA-N 400.483 1.252 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1358932960 CUKBQQYYTDAWDR-XLIONFOSSA-N 411.554 1.710 30 10 HDEE C#CCN(c1nnc(CNC(=O)c2cccs2)n1CCC)[C@H]1CCS(=O)(=O)C1 1358966760 WKGDUNWEYYBUPA-AWEZNQCLSA-N 421.548 1.306 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1358979655 TXVUEAQGTPQDTO-WIYYLYMNSA-N 421.501 1.584 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1CCOCC1 1358983677 RNEKZAYQLAEBLQ-OALUTQOASA-N 415.538 1.186 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCCO 1358994461 NWENLNBPJHWNSA-HXUWFJFHSA-N 410.474 1.653 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(C(=O)NCC)CCC1 1359024062 DOMMDMZYRFZPHK-QGZVFWFLSA-N 403.527 1.912 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N[C@H](C)CC)CC1 1359034956 HQWGURSXNYZPCK-MSOLQXFVSA-N 402.543 1.232 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)COC)CC1 1359046634 ZVLONDNVUZWDSX-KRWDZBQOSA-N 410.522 1.512 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1359125972 ASAWIZFPUWQSQU-KRWDZBQOSA-N 404.559 1.783 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359132733 DJVLBFOGDIPXFO-WBVHZDCISA-N 404.515 1.415 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C(C)C)no2)CC1 1359286589 CUTBNKILSYODMM-LSDHHAIUSA-N 414.514 1.805 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@H](Oc2ccccn2)C1 1359302850 VPRLNYOFUUYVCW-SFHVURJKSA-N 419.489 1.619 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2)C1 1359314130 WMNLVIRJZNMJRZ-DOTOQJQBSA-N 405.524 1.718 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCCC)C1 1359317082 BIQOMFCDEJCFNJ-INIZCTEOSA-N 413.478 1.981 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCN1CCCO[C@@H](C)C1 1359465367 ALJHRWVFZGTDJG-MSOLQXFVSA-N 417.558 1.611 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1359631173 SMHQYPKOTTTXRC-GOSISDBHSA-N 423.521 1.681 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)c1 1361161909 BYXDENZGAPWFCG-KRWDZBQOSA-N 408.466 1.380 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCSC[C@H]1C(F)(F)F 1440047677 POCBCICGLKNRJS-LBPRGKRZSA-N 407.439 1.622 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(C)nn(C)c2Sc2ccccc2)CC1 1449056914 CPYWEJLBGKIAJU-UHFFFAOYSA-N 411.531 1.387 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccccc1N)c1ccc(Br)cc1 1450271220 KKQCXAHOUYMLFN-OAHLLOKOSA-N 422.304 1.800 30 10 HDEE C=CCN(C(=O)c1cc2nc(C)cc(C(F)(F)F)n2n1)[C@@H]1CCS(=O)(=O)C1 1456087544 RHLBDHKHYZVXEM-LLVKDONJSA-N 402.398 1.872 30 10 HDEE COC(=O)c1cc(Br)c2[nH]c(NC(=O)Cn3cnc(C#N)n3)nc2c1 1457013845 GVYJTUDFNKIDMJ-UHFFFAOYSA-N 404.184 1.214 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1461691926 GUOBKLYDYOHBFP-SJORKVTESA-N 422.526 1.394 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cnc(Cl)cc1C(F)(F)F 1462872630 KPQVZLGMIJRYTH-SECBINFHSA-N 416.830 1.565 30 10 HDEE CCN1C(=O)c2ccc(C(=O)Oc3c(C)nn(CCC#N)c3C)cc2S1(=O)=O 1463285174 FHPXCPWYAYFNPP-UHFFFAOYSA-N 402.432 1.797 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1463912774 HDSBXWMTYYIUAF-UHFFFAOYSA-N 419.532 1.154 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCn3ncnc32)cc1 1464269047 LGJJJVTVSYQPSZ-QIIGAIICSA-N 402.480 1.607 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Oc2cccc(S(=O)(=O)N(C)C)c2)c1 1464397191 HXBYOVGNMNTDBN-UHFFFAOYSA-N 424.500 1.620 30 10 HDEE N#Cc1cn(CC(=O)NCCCc2ccc(Br)cc2F)c(=O)nc1O 1465072756 IJPAHNIZXVNDEA-UHFFFAOYSA-N 409.215 1.471 30 10 HDEE C#CCN(C(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)C1CSC1 1469998217 ROZAEUSQGXEYTI-UHFFFAOYSA-N 417.556 1.991 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1470393665 FJRNTHQVTZVGHY-APWZRJJASA-N 407.492 1.478 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)C1 1471833035 NZPHGPHDYLLJDD-WMZOPIPTSA-N 409.577 1.300 30 10 HDEE CC1(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CN(C(=O)OC(C)(C)C)C1 1472384577 CVKXRVGVURAVSI-UHFFFAOYSA-N 407.492 1.599 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C[C@H]2CCCO2)CC1 1473840915 PVSIWGZIGUVIEE-GUDVDZBRSA-N 418.563 1.727 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C2 1478284544 JNPWIWWIUGHGDU-RRFJBIMHSA-N 401.529 1.674 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C12CCC2 1478284629 LHTVYUSTWHEUHB-AWEZNQCLSA-N 401.529 1.819 30 10 HDEE C[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)O1 1479203290 YIADVJALHHPYML-MEDUHNTESA-N 400.414 1.401 30 10 HDEE Cc1ccc(NC(=O)CN(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1492283141 FEQWPKOTUSZHQR-FMQUCBEESA-N 423.477 1.496 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1494282804 FZYZYSWNELCRKO-UFOSLELVSA-N 411.466 1.035 30 10 HDEE CCC(O)(CC)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1497440567 LUINGMTXECGIFN-CYBMUJFWSA-N 402.455 1.286 30 10 HDEE COCc1nocc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1504659802 KZCUPUYCPCHBES-QGZVFWFLSA-N 421.461 1.920 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@H]2CCCO2)nnc1N1CCC(F)(F)C1 1505355953 WHDODOHXTIKTST-ZPTIMJQQSA-N 408.409 1.501 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(NC(C)=O)nc1 1507604309 JEYLUSCQTSFECB-NRFANRHFSA-N 412.494 1.790 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)c1ccccc1F 1507618879 TZTSBVKUNREEDG-UHFFFAOYSA-N 409.469 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCC(=O)NC1CCCCC1 1507659317 ZXEZGTJTBQVYAY-UHFFFAOYSA-N 412.538 1.718 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1507672711 DWZATTRSLPABBP-PGRDOPGGSA-N 411.506 1.202 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nc(C)cs1 1507679839 RRXHUHMBTYWNFC-GXTWGEPZSA-N 410.569 1.916 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1507690683 VBXSLBLLQRTQMY-AWEZNQCLSA-N 407.565 1.901 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCCS1(=O)=O 1507709620 ZJRMUYMQYBEOBG-UHFFFAOYSA-N 421.498 1.206 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1507720188 HUOJJKHSAAVCJH-VQTJNVASSA-N 406.490 1.112 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1507751102 DKZRBTPILVYFJF-SFHVURJKSA-N 424.534 1.896 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C)C1 1508143741 NGLQDIOSPRYHEV-KRWDZBQOSA-N 404.536 1.889 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1508732894 GUOYUDOWIZCYFW-IBGZPJMESA-N 410.522 1.747 30 10 HDEE CCCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN/C(O)=C1\N=CC=CC1=O 1514609010 HHVLFGMMAXQGFR-WPTSPKKTSA-N 418.498 1.375 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1515795955 HZRQMKAMICUBFJ-INIZCTEOSA-N 405.466 1.178 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1517561583 CQROHEAFZNDSGH-VFNWGFHPSA-N 412.494 1.319 30 10 HDEE COc1ccc(-n2cc(C(=O)NC3CCN(c4ccc(C#N)cn4)CC3)nn2)cc1 1529708061 PZYURLXBKVSYJE-UHFFFAOYSA-N 403.446 1.941 30 10 HDEE Cn1cc(Cl)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1536372571 IEPNDYBFFXAGMT-UHFFFAOYSA-N 407.883 1.985 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)[C@H]1c1nccn1C 1538556343 RRGIGJAIKKITLE-IHPCNDPISA-N 423.473 1.180 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC(=O)NC)CC1 1539116062 KDBATDOPUXGRBH-UHFFFAOYSA-N 412.494 1.772 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1539132152 FOFMVBSOZKBWQV-KRWDZBQOSA-N 419.555 1.023 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1539177742 BEFQHHUNUBAUDU-WMLDXEAASA-N 402.476 1.295 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539222322 VMBGOTGAMOYOIP-WMZOPIPTSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)N(C)C(=O)OC(C)(C)C 1539229979 AQHHJWXWMILKQT-MRXNPFEDSA-N 416.526 1.745 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1nnnn1CC1CC1 1539246074 NQOPHQFABKIQSE-UHFFFAOYSA-N 417.433 1.371 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@](C)(O)CC)CC1 1539445946 LPMACBALMOXRFX-JOCHJYFZSA-N 421.505 1.510 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CC[S@](=O)CC 1539552648 YXUZFIDEVSGXCZ-WHLCRQNOSA-N 403.508 1.767 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CC(N)=O)C1 1539613068 UDICCTAGJLEEFZ-NUJGCVRESA-N 418.542 1.489 30 10 HDEE N#Cc1ccc(NCCNC(=O)c2cc(Br)ccc2-n2cnnn2)nc1 1540697968 XBXRKJZFPJESLW-UHFFFAOYSA-N 413.239 1.533 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541804563 YHUNZBBIXXMESA-RDJZCZTQSA-N 422.555 1.850 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2cn([C@@H]3CC[C@H]3O)nn2)cc1 1543123716 DFIHHQWJLGKNPT-NDGNEDBOSA-N 418.479 1.039 30 10 HDEE C#CCN(C(=O)[C@@]12CCC[C@@H]1N(C(=O)OC(C)(C)C)CC2)[C@@H]1CCS(=O)(=O)C1 1545062425 HMPMAVRMNHNSMZ-GQIGUUNPSA-N 410.536 1.815 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1545088976 AKOVRAJUQMPAMN-NZKCYVOASA-N 416.482 1.271 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1554596962 CSJBULVNXIEEEA-CQSZACIVSA-N 403.508 1.865 30 10 HDEE COc1ccc(CCc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCC(=O)N2)cc1 1554891148 AHANJABRBBHNOQ-IERDGZPVSA-N 412.469 1.792 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)NCC2CC2)C1 1555985307 MJFQIFHPQDQRCD-SFHVURJKSA-N 403.849 1.962 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCO1 1555993378 NNMMBBXJYIBIBM-GHMZBOCLSA-N 404.418 1.253 30 10 HDEE C[C@H](CC(=O)N1CCC(c2ccon2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1557557948 ILMAMRRQRCXQPL-CYBMUJFWSA-N 402.476 1.898 30 10 HDEE Cn1c(=O)[nH]c(N2CCC[C@@H]2c2ccc(I)cc2)c(C#N)c1=O 1559155371 HCJWLJOZOLFCNW-CYBMUJFWSA-N 422.226 1.891 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CC2(CCOCC2)CC[C@@H]1CO 1559999172 ZHUOMCWHXBTLIM-LJQANCHMSA-N 409.490 1.936 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1 1562733767 XOPRUVQCGMRSIV-HNNXBMFYSA-N 413.496 1.429 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCC3CCOCC3)CC2)cc1 1564842844 KZJNYLLTUQZNCO-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE C#CCN(C(=O)NCCc1cccc2c1OC(F)(F)O2)[C@H]1CCS(=O)(=O)C1 1565094526 HBHVZEWCJBZKHK-ZDUSSCGKSA-N 400.403 1.383 30 10 HDEE COCCN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1565606231 TVDSHFSODBJBJE-BQIYRTECSA-N 406.527 1.564 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCc4c(nc(C)n4CCO)C3)n[nH]2)c1C 1568814592 XKAGRVMNXLTUAD-INIZCTEOSA-N 423.521 1.861 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C(=O)OC)[C@@H]3CCCC[C@H]32)cc1 1583866647 FWPPHYHTQCBDRR-GBESFXJTSA-N 418.515 1.792 30 10 HDEE C#CCN(CC#CC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1586950761 IFVGUDDQMZOBCY-IXDOHACOSA-N 408.520 1.142 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1587856169 HTZPDLMYCJPPFT-MRXNPFEDSA-N 422.551 1.716 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)Oc1ccc(OC)cc1 1587989633 LINNAQCNOQIJAF-JKSUJKDBSA-N 418.519 1.726 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059373 MYIHCXYJXJIHDZ-RTBURBONSA-N 421.611 1.835 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C(C)C 1588174125 QELWSJYUXNOXMI-UHFFFAOYSA-N 421.505 1.551 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1588659860 PBGINWFQUZCJJK-KNQAVFIVSA-N 411.506 1.688 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2csc(C)c2)CC1 1588812765 UEPVMYLVRVPXHH-KRWDZBQOSA-N 419.576 1.354 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1588845193 XLVHFBGJUIPWAF-MRXNPFEDSA-N 424.519 1.302 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1588913918 UBENCCBHONXRBK-FUHWJXTLSA-N 410.522 1.790 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@H]2COCCO2)CC1 1588930169 OWDFZGQOIYGCMH-GOSISDBHSA-N 401.511 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2cn3ccc(C)cc3n2)CC1 1588946275 ALDFFGLGECZQHX-UHFFFAOYSA-N 405.506 1.811 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCC(F)F 1595156039 DYMQNVOPLXMFSO-ZDUSSCGKSA-N 424.477 1.865 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1595466444 JCVYLKGZYSINEZ-ROUUACIJSA-N 424.505 1.817 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@@](C)(C(N)=O)C1 1595601989 CKXLXHREFUFUKS-IUSZMWJPSA-N 418.542 1.201 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2C[C@@H](O)[C@H](CC(=O)OC)C2)cc1 1595640086 SLYABSZRVMDYQG-SJLPKXTDSA-N 400.479 1.814 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](CC(=O)OCC)c2ccccc2Cl)C1=O 1597173953 GWXZROQVFZBETC-CQSZACIVSA-N 421.837 1.427 30 10 HDEE CC(C)(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1597268147 AEUATPQDGINGLL-UHFFFAOYSA-N 418.523 1.446 30 10 HDEE COC(=O)[C@H]1CN2CCC(CC2)N1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1614686020 XLKGHSIWGZAGDO-LJQANCHMSA-N 400.328 1.807 30 10 HDEE O=C(N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F)C1(n2cnnn2)CC1 1616293020 LWQMTJLKLYZGTE-BQBZGAKWSA-N 405.249 1.792 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)ncc3Cl)C[C@H]1CS(=O)(=O)C2 1616336978 UCLGXFBZTKZVAL-ISVAXAHUSA-N 404.673 1.508 30 10 HDEE COCCOCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1620071693 WYZFUTIZIUSVCE-MRXNPFEDSA-N 412.494 1.537 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc([C@H]3CCOC3)n2CC(F)(F)F)CC1 1620351894 KOFJWWHZRKNTBW-AWEZNQCLSA-N 407.400 1.938 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)cc1OC 1624057743 NUOBZPVIKAVQBT-BVBGJJFLSA-N 423.487 1.462 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1)C(=O)OC 1626208290 LERQNWIYCJFZJC-BIENJYKASA-N 400.472 1.309 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1626755375 XRZMXJFKTXYLOA-INIZCTEOSA-N 417.572 1.377 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(COCCO)cc1 1627041481 VXUSPVPWQZKSJQ-CQSZACIVSA-N 403.460 1.373 30 10 HDEE CCN(C)C(=O)[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1628045339 FTHFKNGCVCIXIW-DYVFJYSZSA-N 408.524 1.123 30 10 HDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCN2CCO[C@H]1C2 1628293445 ZVNVPEIHANXRKQ-ROUUACIJSA-N 419.323 1.688 30 10 HDEE C#CC[C@@H]1CCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1630401430 BUIOICPTNFZSGA-GOSISDBHSA-N 417.531 1.172 30 10 HDEE Cc1nc2n(n1)CCN(C(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2 1630431851 WYXPVLWPFJBQCC-CHWWFWEZSA-N 400.483 1.716 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(C(C)(C)COC)CC2)s1 1630442299 QTCOITYBLUFWRF-UHFFFAOYSA-N 415.581 1.324 30 10 HDEE COC(=O)c1cccc2c1CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 1630877102 RWEOOCCSAVSGOZ-UHFFFAOYSA-N 413.455 1.208 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](c2nnc(O)o2)C1 1633715321 JGLQQCWMQLCQJM-GFCCVEGCSA-N 419.463 1.000 30 10 HDEE Cn1nccc1[C@@H]1COCCN1C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1634918585 JXVSTBJPKFXFGV-MJGOQNOKSA-N 408.462 1.176 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)OC)c1cc[nH]n1 1635295654 RPRICCGCRXTXKT-DYVFJYSZSA-N 416.434 1.360 30 10 HDEE COC(=O)CC1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCOCC1 1635313595 BJORODOKLYYKGN-UHFFFAOYSA-N 412.439 1.213 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nn(C)cc2Br)n1 1635412939 NEZBYHOFDBZYHI-UHFFFAOYSA-N 409.288 1.371 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 1636434424 LYHVSRONDXASQH-XMSQKQJNSA-N 412.490 1.999 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(C)c(Oc3ccncc3)c2)CC1 1636480426 QVZLLYPRNXKILQ-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N[C@@H](C#N)CO)c2)cc1 1636605690 ZTYBYNSGMHGWPR-LBPRGKRZSA-N 423.878 1.788 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)Cc2cccc(F)c2)s1 1636605890 JGJOWUNGCLRRPS-OAHLLOKOSA-N 412.508 1.614 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OCC)c2ccncc2)c1 1638197409 DLWKRMYLUDHFQY-SFHVURJKSA-N 417.487 1.970 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCn2cncc2C1 1638759702 JYZHLFACMPZPRG-OAHLLOKOSA-N 415.519 1.613 30 10 HDEE Cn1ncc(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)c1I 1639135395 HCVCLBQPKDMABN-UHFFFAOYSA-N 419.186 1.934 30 10 HDEE CC1(C)[C@@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@H]1N1CCOCC1 1639631802 VZLZNYSIPMDGJB-RBUKOAKNSA-N 419.547 1.993 30 10 HDEE C=CC[S@](=O)(=NC(=O)Cn1cc(Br)c(O)nc1=O)c1ccccc1 1640208064 HOTQVGYSYSOGOL-XMMPIXPASA-N 412.265 1.951 30 10 HDEE C=C(CCC(=O)OC)C(=O)NC[C@@H](Oc1ccc(Br)cc1)C(=O)OC 1640427731 ACRRDQCQMSWKKG-CQSZACIVSA-N 414.252 1.995 30 10 HDEE CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1641664166 BZNAUKCHIIZMPM-AEFFLSMTSA-N 406.552 1.852 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@@H](O)c1cccnc1 1642606195 FVXOEINEBLLUOS-OALUTQOASA-N 405.414 1.534 30 10 HDEE C[C@@H](C#N)N(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)Cc1cccc(C(F)(F)F)c1 1643522874 HGNDEDSRWQXGOA-NSHDSACASA-N 423.395 1.282 30 10 HDEE CN1C[C@@H](C(=O)N2CCc3c(sc(N)c3C#N)C2)N(C(=O)OC(C)(C)C)CC1=O 1646255796 RDFAYZAZIHVRSH-ZDUSSCGKSA-N 419.507 1.164 30 10 HDEE CCN(C)[C@@H]1CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1648291985 DBJPELJWNSLFOU-NVXWUHKLSA-N 406.552 1.692 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCN(c3cc(O)ncn3)C2)CN(C(=O)OC(C)(C)C)C1 1648382951 WHTAJLFTFDJOLI-AWEZNQCLSA-N 403.483 1.690 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 1655366194 LDRUXWCXHCXRJC-UHFFFAOYSA-N 410.356 1.613 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H](O)C[C@H]2c2n[nH]c(-c3ccccc3)n2)nc1 1656380901 KQPNBRRYYDYZFT-SJORKVTESA-N 424.486 1.320 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCC(=O)N(CCCC)c1c(O)nc(=O)n(CC(C)C)c1N 1658716682 OARDUMRBRJTUGR-CVEARBPZSA-N 421.542 1.643 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCN(c2ccsc2C#N)CC1 1659412765 WZUSJXLFKCPTDE-UHFFFAOYSA-N 417.457 1.221 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1664869842 AMODQVSEELVXTF-MRXNPFEDSA-N 414.549 1.304 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 1668418821 AJFCVPYCBKAULV-CALCHBBNSA-N 405.524 1.878 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NS(=O)(=O)c1cc(Br)ccc1C#N 1669406484 GFVKICVTUXPCPC-CQSZACIVSA-N 424.276 1.778 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCOC[C@H]2CC2CCOCC2)C1 1671495081 KVSGPVRWAJCZMJ-KSZLIROESA-N 422.526 1.973 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 1678520246 RNPFWJIAIZHYRM-ZIAGYGMSSA-N 410.462 1.150 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CN(C(=O)NCC3(C#N)CCOCC3)CCO2)C1 1685740733 DIPBETBVZJZHAJ-FQEVSTJZSA-N 408.499 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1689854516 BKWNCGCEAFFBIA-WOJBJXKFSA-N 409.582 1.995 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)CCC 1689929905 GUHONLCLSAGLID-IAGOWNOFSA-N 411.572 1.897 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@H]1C 1690067388 YMUYOESNMCMLFI-IERDGZPVSA-N 406.494 1.931 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(-n3cncn3)c2)CC1 1690133495 JNCVIOHWJZDFMD-UHFFFAOYSA-N 406.494 1.199 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1690159929 QZVKJGZFUKTKOL-CQSZACIVSA-N 414.491 1.887 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1690203178 STCKUJHICPKLHY-HXUWFJFHSA-N 412.519 1.968 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCOC1 1690601819 CDNIMCPWHPCILD-QFIPXVFZSA-N 413.522 1.803 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1690673692 AJLBVJHMYJWHGX-RTHVDDQRSA-N 416.551 1.533 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1690724425 OLYWBASPBXVOBN-KURKYZTESA-N 424.567 1.778 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCN2CCOCC2)C1=O 1696886022 VNKIIZANGGPOAL-JOCHJYFZSA-N 423.521 1.063 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1698483415 BRAVOOUVAJTBKG-KXBFYZLASA-N 406.462 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOCC2)nc1 1705474879 GZZGLOFQDFXKNQ-MRXNPFEDSA-N 411.510 1.154 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCn1cc([C@H]2CCOC2)cn1 1705476382 YYRCKUAZHROYGT-IRXDYDNUSA-N 411.510 1.373 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CC2(O)CC2)c1 1705505127 JESMLCJCHYKKMX-UHFFFAOYSA-N 405.462 1.260 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@](C)(O)C1CC1 1705551049 FOTWAQIUZYLGQN-IERDGZPVSA-N 419.526 1.817 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1705667190 JRDHIUOSTXWCFW-PMPSAXMXSA-N 408.524 1.368 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1705705554 IWEORZDRTHXICH-APWZRJJASA-N 419.551 1.726 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705825082 JBZDRKAWWAJQAX-KRWDZBQOSA-N 413.526 1.834 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1705894654 GWGAHVFTOUOWPR-INIZCTEOSA-N 403.531 1.286 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(O)CCN(C)C2)C1 1705917637 XCHKBURUJIUKIW-DENIHFKCSA-N 413.522 1.802 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CC1 1706505615 HVCXGYHPUGPYQH-HSZRJFAPSA-N 423.565 1.661 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2CC2)CC1 1712706131 IFDLVYHSZMSSJS-UHFFFAOYSA-N 416.507 1.220 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1cccn1 1722370054 GBNVNRUTJKFSDR-UHFFFAOYSA-N 401.474 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN1CCN(CC)CC1 1722394255 SQVSNHBWJOBKIU-UHFFFAOYSA-N 405.550 1.831 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1722402367 LYIPKGXTORGAMR-MRXNPFEDSA-N 405.524 1.735 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@]2(C)CN(C)C2=O)n1 1722430140 YKVIZLILCGWVNM-NRFANRHFSA-N 411.510 1.117 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(N)=O)c1 1722430959 LERHUIPWGOGQMY-UHFFFAOYSA-N 406.446 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1722448173 VBEDPRADFJNBDT-IEBWSBKVSA-N 401.555 1.994 30 10 HDEE C=C(C)Cn1c(N2CC[C@@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722553133 DRCJQVSVUDOYGK-RTWAWAEBSA-N 405.543 1.807 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CCOC2)C1 1722710920 QGVBYAMCAGTRHJ-JRGCBEDISA-N 422.526 1.251 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1722867235 FQGITYQMSJIZBY-GOEBONIOSA-N 405.528 1.142 30 10 HDEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)C#N 1724097930 APTWGIQKVGJOHF-DGCLKSJQSA-N 411.557 1.492 30 10 HDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1729514753 AITHAYULBTVZNA-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c(OC)n1 1730151946 PAOBLTOBZPBXOB-UHFFFAOYSA-N 420.477 1.640 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1730785139 FNLISNVXHYJPDS-LJQANCHMSA-N 412.494 1.001 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@](C)(O)c1ccco1 1740630980 HFITWVHSZLILQL-YADHBBJMSA-N 412.490 1.892 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCc2ccccc2C1 1740638993 OXJFSAQRHVMKNY-NQIIRXRSSA-N 416.529 1.749 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCn1cc(Br)cn1 1740640196 ZRJYOQOWEUVQEG-AWEZNQCLSA-N 403.284 1.514 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C/C=C/c1ccccc1 1740686623 UPDAKKNSWCORAH-VQFGERMISA-N 414.531 1.980 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2cccc(C)c2)CC1 1740695512 UUIJBUSAPUARNK-UHFFFAOYSA-N 403.490 1.878 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1740958070 HWMANYPBYVTXJB-MRXNPFEDSA-N 418.542 1.517 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1748667088 MZHKPCTWSVFGDM-APWZRJJASA-N 408.506 1.572 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)CN1CCOCC1 1748681496 DJNUGIFLHPQVEH-RBUKOAKNSA-N 421.549 1.943 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1Cc2ccccc2C1 1749721503 MGURSBSHOAWQQV-UHFFFAOYSA-N 403.508 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](CC)O[C@H](C)C1 1749736646 NBQOSGMBWTYHBD-AEFFLSMTSA-N 419.551 1.868 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1750060042 JHCJJRDHDQCKFG-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE COCCOCCn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1750104133 GEYZXQJRLICFEP-QGZVFWFLSA-N 408.462 1.885 30 10 HDEE C#CCN(CC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1760235619 RQSVMTMYBMEBFS-IBGZPJMESA-N 424.473 1.156 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCS1 1760242967 TVXUCCBKOCREEM-LSDHHAIUSA-N 415.585 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C)N2CCOCC2)CC1 1760266209 SFFWOEKDQHDSNJ-ROUUACIJSA-N 416.570 1.478 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1760475090 SRRSNCXVFDQLBG-UHFFFAOYSA-N 417.535 1.358 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCCCO2)C1 1760543059 MMEQSXGUFXKWBJ-OKZBNKHCSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(CC(C)C)C(=O)C1 1760548748 OJEDTNQAQYWDJX-MRXNPFEDSA-N 411.572 1.697 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CC)C1 1760557376 JLVOAZFTQRDXDZ-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760804516 GIAJYNILIWSCNB-KRQILSMLSA-N 415.519 1.925 30 10 HDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C(C)=O)CC2)s1 1762830360 DJTSEHVECNYKAP-UHFFFAOYSA-N 422.518 1.947 30 10 HDEE CO[C@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N)C1CC1 1768086915 IBVJKKIOHXPGNT-RDTXWAMCSA-N 407.482 1.942 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1769995773 SPKVTTIQUCAIQU-JXXFODFXSA-N 417.489 1.903 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCSCC(F)(F)F)CCO1 1771539209 QEASXJRBSMUYIO-LBPRGKRZSA-N 418.445 1.425 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1C 1848848280 VZYGILQKGBEHCQ-UHFFFAOYSA-N 404.434 1.207 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1)[C@@H]1CCN(C)C1=O 1849206321 WAYJFZJVBRPHEV-SJORKVTESA-N 409.483 1.224 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)CC2)cc1 1849557670 BJIUGQFLQHCMHO-UHFFFAOYSA-N 402.520 1.411 30 10 HDEE O=C(NCC#CCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)C2CC2)CC1 1850213378 QKVLDXMJLXKWJF-UHFFFAOYSA-N 415.559 1.369 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852235853 WNCDOBHRDKRANH-QGZVFWFLSA-N 415.494 1.628 30 10 HDEE N#Cc1ccc(C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)cn1 1852454237 MYVWKHIHPXWBBZ-UHFFFAOYSA-N 402.458 1.689 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccc(CCC(N)=O)cc2)CC1 1852535358 YXMLQLGQZHXXIU-UHFFFAOYSA-N 407.474 1.350 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2cccc(OC)c2)C1=O 1853683054 RJJXMKXEKSZGHR-OALUTQOASA-N 415.490 1.310 30 10 HDEE Cc1cc(C)n(CC(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n1 1854293278 YRSDOIDOYNGBSR-SFHVURJKSA-N 408.462 1.047 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)cc1 1854402139 YSYODRRYIRGUJD-LJQANCHMSA-N 416.455 1.669 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCCc4nccc(OC)c43)C2=O)CC1=O 1854483062 CNTZANSSYQZJMR-WBVHZDCISA-N 412.490 1.395 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2c(Cl)cccc2Cl)CCN1S(=O)(=O)CC#N 1854723104 RUTPMANZPCPSRN-LLVKDONJSA-N 418.302 1.839 30 10 HDEE COc1cccc2c1C[C@@H](C(=O)N1CCN([C@H]3CCN(CCC#N)C3)CC1=O)CC2 1855019768 WQVXHRSNTCDCFV-OALUTQOASA-N 410.518 1.459 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)CC1=O 1855552900 NIPARFKYJPJWPV-CYBMUJFWSA-N 411.430 1.654 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCN(CCn3cnc4cc(F)ccc43)CC2)C1=O 1855790009 OCFIPJXBKXSBCN-LJQANCHMSA-N 412.469 1.224 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)C1 1855868340 ZCNICNFSKXGWTG-DLBZAZTESA-N 404.511 1.854 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(Cl)n3)C2)CC1 1855890153 SZUGQTXYCDZCIO-HNNXBMFYSA-N 424.892 1.813 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCN(c4ccnnc4)CC3)C2=O)ccn1 1855950095 OGWUGYASMQAREG-IBGZPJMESA-N 405.462 1.087 30 10 HDEE COc1ccc(OCC(=O)N2CCC[C@@H](N3CCC(CC#N)CC3)C2=O)c(OC)n1 1856521808 UCMIVLDGUGHXRL-MRXNPFEDSA-N 416.478 1.621 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccccc3Cl)C2)CC1=O 1856805185 MVJCUZBNULOYHL-QWHCGFSZSA-N 414.867 1.222 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1857037057 TZULOAVBWFKWQV-IBGZPJMESA-N 417.531 1.928 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3COCCO3)C2)CC1 1857237230 WZNWZBHTHDJCDA-VQIMIIECSA-N 412.490 1.313 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c(C(C)(C)C)noc2C)C1)[C@@H]1CCN(C)C1=O 1857282287 VJLAGZQPDDGDTL-JKSUJKDBSA-N 416.522 1.988 30 10 HDEE C[C@H]1CC(=O)N(C(=O)C2CC3(COC3)C2)c2ccccc2N1S(=O)(=O)CC#N 1857457079 DZQHVRWODZQCCJ-ZDUSSCGKSA-N 403.460 1.425 30 10 HDEE C=CCN(C[C@@H](O)c1cccc(OC)c1)S(=O)(=O)c1nnc(NC(C)=O)s1 1857998404 ADXFQIKJDZBJQV-CQSZACIVSA-N 412.493 1.415 30 10 HDEE Cc1cc2nc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)cc(C3CC3)n2n1 1867166526 AMQRHCREUOTRGJ-KRWDZBQOSA-N 404.430 1.516 30 10 HDEE CC[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCOCC1 1868794225 ABLRXHRJWHSBIA-SJORKVTESA-N 404.536 1.778 30 10 HDEE C=CCOc1cn(CCCN2CCCC2=O)c(CN2CCN(CC)CC2)cc1=O 1870384344 QKVZFUVHSDPZGL-UHFFFAOYSA-N 402.539 1.563 30 10 HDEE C=CC1(NC(=O)C2=C[C@H](O)[C@H](NC(=O)OC(C)(C)C)C2)CN(C(=O)OC(C)(C)C)C1 1897697967 YLINHQBCJHDMJF-CABCVRRESA-N 423.510 1.862 30 10 HDEE C[C@@H](C#CC(=O)N1C[C@H](O)CC12CN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 1902010080 TWIATOZMAFRZGF-LSDHHAIUSA-N 423.510 1.486 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1965778169 VYFMBHSNVWFRFF-KBXCAEBGSA-N 401.529 1.872 30 10 HDEE C#CCN(CC(F)(F)F)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046019317 NJVFQBYOSDNPSC-MRXNPFEDSA-N 420.384 1.838 30 10 HDEE CN(Cc1cn(C)nn1)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116149565 FEFBMJLETYTLOG-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)N1CC(C#N)C1)C(F)(F)C(F)(F)F 2174779019 DSNBMIPMQPLRDS-VIFPVBQESA-N 422.376 1.367 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](NS(=O)(=O)N2CC[C@@H](C#N)C2)(C(F)(F)F)C1 2174781510 GSJZEXJPJYUEEH-FZMZJTMJSA-N 412.434 1.608 30 10 HDEE C#CCN(C(=O)[C@H](F)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2199073289 HNMUDGDPOSEQNF-LJISPDSOSA-N 402.488 1.277 30 10 HDEE Cn1cc(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)c(=NC(=O)OC(C)(C)C)[nH]1 2243674585 LCZHMKZLQOEZAR-UHFFFAOYSA-N 404.276 1.554 30 10 HDEE CN(CCc1nc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2247813826 ZJOKMDJFKANZPP-UHFFFAOYSA-N 419.291 1.787 30 10 HDEE CCC1(O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267358655 ZSYDYGNWGYMOAB-UHFFFAOYSA-N 407.750 1.846 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)sc2Cl)OC1(C)C 2267544807 ZDYBSPIFYFFOFI-SECBINFHSA-N 405.734 1.618 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2282000905 UNAGJIDUATUVKL-UHFFFAOYSA-N 410.273 1.200 30 10 HDEE CC1(C)C[C@H](O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282331599 PKQPTWWVILNJQA-ZDUSSCGKSA-N 401.359 1.829 30 10 HDEE CC1(C)[C@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342077 BVTQXADCUPAUJY-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](N)C(F)(F)F)OC1(C)C 2282417807 KHKSVKJTULZDJB-JTQLQIEISA-N 414.280 1.356 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC([S@@](C)=O)C2)c1B1OC(C)(C)C(C)(C)O1 2282497602 SAIQBBGHOMFTPV-RUZDIDTESA-N 419.399 1.416 30 10 HDEE COc1ccc(C(=O)N2CCC3(CC2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2282532492 YBLLIJWOTCAWDL-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 2282575383 BTUIMFQIIJJNLG-JTQLQIEISA-N 400.331 1.010 30 10 HDEE C[C@@H]1C[C@H](NC(=O)c2csnc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282624695 NNUMYUOAQRTOFI-GHMZBOCLSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1C[C@@](F)(CN)C1 2282833674 ZAFVVAVGJIBUAZ-SXUIPJSXSA-N 404.338 1.463 30 10 HDEE CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282855427 DPDHJBFGEORRMQ-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC[C@@](C)(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284394947 FTIWWTDUYUHRDY-MRXNPFEDSA-N 403.331 1.720 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(C)(C(=O)O)C1 2284397607 NYRITHOPGSEAKF-UHFFFAOYSA-N 401.315 1.451 30 10 HDEE CC(C)(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404043 VPUSTSBEHKZMBC-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE CC[C@@](C)(NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284408176 SWJMRIJRUXZQPZ-OAHLLOKOSA-N 404.319 1.115 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H](F)C(=O)O 2284410037 QLMIJEFZYWGQMN-BXKDBHETSA-N 407.294 1.384 30 10 HDEE C[C@H](CC(=O)O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2284411505 LEZOTVDURKAAEI-SNVBAGLBSA-N 403.693 1.781 30 10 HDEE CN(C)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284475076 SABBOEIVURJKBN-SNVBAGLBSA-N 402.709 1.445 30 10 HDEE COC[C@@]1(C)C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284698071 WDTMYPJFTIVWOX-SUMWQHHRSA-N 401.359 1.892 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)c1 2297644959 BYXHTJQLBMNCLU-WOJBJXKFSA-N 406.442 1.474 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1CNC(=O)OC(C)(C)C 2300217136 LUWJUFBTIAAWFH-QWHCGFSZSA-N 420.319 1.362 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](NC(=O)OC(C)(C)C)C1 2300231060 SAICBEANBNEXKP-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(=O)NCc1nnc(SCC(N)=O)n1N=Cc1cccc(Br)c1 2330747577 IOMCQDHVDOVGAS-UHFFFAOYSA-N 411.285 1.136 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCC1 2342097649 NVVOUPBTORJWOL-OAQYLSRUSA-N 419.499 1.690 30 10 HDEE CN(C[C@@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C(C)(C)C)C(=O)OC(C)(C)C 2365170429 PKNPPTIPGWOVLF-IFXJQAMLSA-N 404.573 1.784 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 2365204810 OTXKWRMZQJTPQE-ZRGWGRIASA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#Cc1cnn(C)c1)[C@H](O)c1ncc(I)s1 2366153999 WTHJHRQJNWMGEW-PWSUYJOCSA-N 402.261 1.544 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367811510 JBTREPGDHKKQAD-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE Cn1nc(Br)nc1[C@@H](O)[C@H](N)C#Cc1ccccc1Br 2382062658 XVMKGNOHFIXQNQ-MNOVXSKESA-N 400.074 1.753 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 27902779 BKISXAIUNIMJJY-CQSZACIVSA-N 401.536 1.355 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1c(Br)cc(N)cc1Br 135846072 IHJLLCFORXUAOD-UHFFFAOYSA-N 414.119 1.963 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)cc1 238950424 WVRHOHHKPWSMKO-WKILWMFISA-N 415.475 1.975 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)[C@H](C)n3cnc(C#N)n3)cc2)C1 409471199 NBJURZYZTPHPCO-GJZGRUSLSA-N 416.507 1.448 30 10 HDEE CCn1cncc1S(=O)(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 433648955 KTCYWTYRENZWIC-UHFFFAOYSA-N 413.507 1.762 30 10 HDEE CC(C)(C)[C@H](CCO)NC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 438806584 PTDFYKPYQORMFP-HNNXBMFYSA-N 403.870 2.249 30 10 HDEE CNS(=O)(=O)c1ccc(CCC(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461287241 WDNFNZCXBBNCCV-UHFFFAOYSA-N 410.459 1.618 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cn1 462090851 QXZZHAFWSPJZAT-MGBSGCIJSA-N 417.429 1.068 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3cc(C#N)ccn3)c2)CC1 477442035 IPEKSTOENNNDSK-UHFFFAOYSA-N 413.459 1.058 30 10 HDEE COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OC)c1O 487456343 SBAPUXGBVKEUTN-LBPRGKRZSA-N 419.459 1.264 30 10 HDEE COCCN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@H]1CCOC1 490295477 CBQUONLBPYNTRR-IRXDYDNUSA-N 400.435 1.027 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 508482225 XANHCRWFQVXNCF-INIZCTEOSA-N 408.466 1.906 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCC[C@@H]3CN3CCOCC3)C2=O)cc1 508646515 FVEZCMWEOAZQRY-UXHICEINSA-N 411.506 1.560 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(CC(=O)NCC)CC1 508800379 FISSBAWIPSGNTG-UHFFFAOYSA-N 414.510 1.406 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(N3CCc4cc(F)ccc43)CC2)C1=O 511646123 UQNJVRUYWGWANO-UHFFFAOYSA-N 414.437 1.156 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NCc2nnc3ccccn23)n1 512944030 XDZZQRKTOKUNIC-UHFFFAOYSA-N 404.365 1.181 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1-c1ccc(F)cc1 514306196 JKUYWHPHYZPMAN-UHFFFAOYSA-N 423.469 1.304 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N3CCCC3)cc21 526842300 BTGCMJRIGZENKR-SUMNFNSASA-N 404.488 1.540 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCc3cccc(C(=O)NC4CC4)c3)CC2)n1 546209269 FUQACQNACGLFRF-UHFFFAOYSA-N 418.501 1.284 30 10 HDEE N#Cc1cccc(N2CCN(c3ncccc3S(=O)(=O)N3CCCCC3)CC2)n1 546890873 MIBQEDMVXJGESF-UHFFFAOYSA-N 412.519 1.849 30 10 HDEE NC(=O)[C@H]1CCN(CC#CCN2CC[C@H](C(N)=O)c3ccccc32)c2ccccc21 551389885 NHNYEYBVYKKRGH-PMACEKPBSA-N 402.498 1.948 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccc(Cl)cc3C)CC2)C1=O 553036087 BNXJMKZSUZLIGO-UHFFFAOYSA-N 418.881 1.269 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]34)C2)nc1 557474070 GCNJJWYQEDXEBC-PASDCYSWSA-N 415.519 1.659 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCC(=O)c2ccc(C#N)cc2)c1OC 560057550 HYRFXZBZVZKCIN-UHFFFAOYSA-N 418.427 1.523 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 568124732 IGTAGSPVWTZGII-INIZCTEOSA-N 408.499 1.311 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1nccs1 572130281 FNQTVIQVYZLBHN-ZDUSSCGKSA-N 412.541 1.280 30 10 HDEE COc1ccccc1CCNC(=O)C(/C=C1/C(=O)ONN1C)=NC(=O)c1ccccc1 585673253 QCEQVONFXCYVOK-SYFJDVSLSA-N 422.441 1.427 30 10 HDEE CS(=O)(=O)OC1CCC(NC(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 586508391 VHPXQODHIKZSKB-UHFFFAOYSA-N 408.476 1.466 30 10 HDEE Cc1nc([C@@H]2COCCN2S(=O)(=O)c2cccc(Br)c2C#N)no1 588122788 CNJAKHAKYFWCLL-LBPRGKRZSA-N 413.253 1.774 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(F)c1 603583407 ULOMLLZGAVJHHV-UHFFFAOYSA-N 403.439 1.562 30 10 HDEE Cc1ccsc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@H]2CCCO2)c1=O 603798840 OMZYIHKFESLASK-CQSZACIVSA-N 415.540 1.240 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2cc3c(cc2OCC)C[C@@H](C)O3)CC1 728536176 NFHLMVMAFYQWIG-JTGQJZMRSA-N 411.502 1.316 30 10 HDEE C#CCNC(=O)C1CCN(CN2C(=O)N[C@@](c3ccccc3)(C(F)(F)F)C2=O)CC1 728560819 KNODZHSYWJGXHC-LJQANCHMSA-N 422.407 1.415 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1 731860973 CQZXXVCAIJFSTO-DYTRJAOYSA-N 424.482 1.934 30 10 HDEE N#C[C@@H]1CN(C(=O)NCC2(c3ccc4c(c3)OCO4)CCOCC2)CCN1C1CC1 732674354 HJZBEIMXOYALRV-GOSISDBHSA-N 412.490 1.845 30 10 HDEE C#CCCN1CCC(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 740737615 UEKFAMGPWVMCJC-UHFFFAOYSA-N 403.548 1.691 30 10 HDEE CC(C)C(=O)Nc1ccc(C(=O)COC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 741340817 HFONGLBELXMGBP-VZCXRCSSSA-N 413.430 1.924 30 10 HDEE COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746331261 HHFPHGQVJUODAQ-ZUIHOSHSSA-N 403.479 1.873 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1C#N 747498809 UECTVVTYAPUXIX-IBGZPJMESA-N 422.441 1.939 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(OCC#N)cc1 749189420 VLDHAUQBFHUKGQ-NCOADZHNSA-N 401.419 1.224 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 757314219 NPUTUSHDUSJSTI-YGRLFVJLSA-N 415.924 1.964 30 10 HDEE CCCCC(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760401252 VAZXAWSHNPQKHR-CQSZACIVSA-N 401.554 1.998 30 10 HDEE Cc1cc(Br)ccc1S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O 770242753 ARDMBJBKSXBFTJ-CCEZHUSRSA-N 414.281 1.562 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCN(c2ccccc2OC)C1)c1cc[nH]n1 772354233 HRYPUOFFRIEOEQ-AWEZNQCLSA-N 415.450 1.097 30 10 HDEE Cn1cc([C@@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C(F)(F)F)cn1 773858806 NYVBWLCZSZLKJQ-CQSZACIVSA-N 415.397 1.269 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2CN(CC(F)(F)F)C2)c1 776628662 SZZHNDRIZPJIPW-JCMHNJIXSA-N 418.441 1.932 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cc21 785406377 APGKUMUAGKOOCV-UHFFFAOYSA-N 410.455 1.606 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)n1 788534467 WIMUWMQDTMYKKG-UHFFFAOYSA-N 424.461 1.249 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)n1 789115189 QYFLQGXTIWUCMP-NHCUHLMSSA-N 417.554 1.442 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)C(=O)N1CCC(COC)(C(=O)OCC)CC1 797386565 UCCQUZWWYYFKKR-UHFFFAOYSA-N 420.437 1.595 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(Cc2cnn(C)n2)C1=O 807931559 UTRNBSIQGXKSLA-INIZCTEOSA-N 415.523 1.015 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1cnn(CCN2CCOCC2)c1)c1ccc(Cl)cc1 810473226 HLTICOPIWPRLJW-GOSISDBHSA-N 415.881 1.298 30 10 HDEE C[C@]1(c2ccc(F)cc2)CC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 811765154 XIODKADWVYRIGX-JOCHJYFZSA-N 407.449 1.889 30 10 HDEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)C2)ccn1 856550641 FNBCUHNALLDLAT-VQIMIIECSA-N 409.556 1.711 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1126385348 RLYVOXCPLZRXFL-SJORKVTESA-N 424.519 1.564 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1COCCN1C(=O)OCc1ccccc1 1130626487 KWVFROLKSFBRNX-GOSISDBHSA-N 416.474 1.828 30 10 HDEE C#CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OCC)C1 1131460765 UFMLNMORRIDSMC-KRWDZBQOSA-N 419.547 1.507 30 10 HDEE Cc1c(C(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)cnn1CCC#N 1136682386 UJDSHMFLFZCVPV-MRXNPFEDSA-N 419.482 1.827 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(CC2CCCC2)C1 1137083886 URVKBIFPHVVDPN-QGZVFWFLSA-N 418.563 1.886 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)N(C)C)cc2)s1 1141336332 FXLJKZUPGXCISC-UHFFFAOYSA-N 421.544 1.773 30 10 HDEE C#Cc1cccc(CNC(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)c1 1142211445 UOWLCVJWDULVKB-UHFFFAOYSA-N 402.472 1.670 30 10 HDEE CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 1150001330 YQBNYUCMGMHOEQ-GOSISDBHSA-N 400.479 1.912 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1 1151104905 ZWHXTDFYVOCZPA-KRWDZBQOSA-N 404.308 1.718 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC2CS(=O)(=O)C2)C1 1154392064 XJMOAOMVOOHLAK-UHFFFAOYSA-N 412.309 1.308 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)C1 1154958555 GONRJUFMZUNNTE-LJQANCHMSA-N 403.548 1.997 30 10 HDEE O=C(OCC1c2ccccc2-c2ccccc21)N1CC(O)(C(=O)NCC#CCO)C1 1155733761 YZKWDJCRSKTAFN-UHFFFAOYSA-N 406.438 1.094 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCC[C@H]1C(=O)OC(C)(C)C 1158643604 PBILDQZECAVUHD-XKQJLSEDSA-N 421.519 1.852 30 10 HDEE O=C(Cc1ccc(-n2cnnc2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1161802412 VQLWOTJCPBEXAC-UHFFFAOYSA-N 405.414 1.714 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)c1 1162053288 XFXRGNRFVJQKHH-GOSISDBHSA-N 409.529 1.523 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2nnc3c(=O)n(C)ccn23)cc1OC 1177865545 CRTPMDYHNTZXNW-CLFYSBASSA-N 409.446 1.673 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N[C@H]2CCc3ncc(Br)n3C2)cc1 1180637110 AIHGMDJGQNSQOI-ZDUSSCGKSA-N 402.252 1.378 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)OC)c1 1213371797 ZPJKAYRIKBVZTI-WMLDXEAASA-N 410.492 1.239 30 10 HDEE C=CCOCCNC(=O)N1CCCC[C@@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1253543235 UNYSSIUJQXZFRP-MRXNPFEDSA-N 412.531 1.784 30 10 HDEE COc1cc(I)c(C(=O)N[C@@](C)(C#N)CN(C)C)cc1OC 1271757928 PRTPZTVGNXYMIF-HNNXBMFYSA-N 417.247 1.882 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC1(CS(C)(=O)=O)CC1 1278981945 QGIQHMXBSHIXPK-UHFFFAOYSA-N 403.508 1.482 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccc(F)cc1 1286361250 MMGRPSUADDSFDN-CZUORRHYSA-N 409.487 1.485 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1286377542 YZNHTADRIPXOFX-UHFFFAOYSA-N 410.503 1.290 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1286389102 FUVOKXORTLUYDO-KRWDZBQOSA-N 400.504 1.839 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@H](F)COC 1286408707 KEKVUNAAWIXGQN-MRXNPFEDSA-N 422.464 1.732 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 1286413841 OFVFZNFBOXJNIV-GOSISDBHSA-N 412.515 1.719 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](OC)[C@H](OC)C1 1286560997 LFXDURVMZXIDDX-OWLYRPNTSA-N 402.499 1.510 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@@H](C)CC(N)=O)nnc1[C@]1(OCC)CCOC1 1286565306 JFAJLFZRKBOEPH-HPNQWNLUSA-N 421.542 1.612 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1286593360 IOGHJNDWEQOEAW-LJQANCHMSA-N 415.586 1.800 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N(C)CC(=O)NC(C)C 1286779359 HMWMMFOPBCUVEV-UHFFFAOYSA-N 404.902 1.862 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(F)F)C1 1286780878 KOQAXIKOBACFPO-ZDUSSCGKSA-N 412.485 1.980 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1286783004 KFUWQNOHJOCCIL-OAHLLOKOSA-N 413.438 1.418 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1286806941 HJVYSIQMEQYKSB-INIZCTEOSA-N 414.901 1.875 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)n1 1290632177 COWBGQOEMHZAKX-RTWAWAEBSA-N 410.526 1.748 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)cc1 1295426843 DXSIDJQFSDAPNG-GOSISDBHSA-N 419.503 1.274 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H](CO)C(=O)OCc1ccccc1 1295930186 TUEDZGUGWFLBCB-DLBZAZTESA-N 419.478 1.794 30 10 HDEE N#C[C@@]1(NC(=O)CNS(=O)(=O)c2c(F)cccc2F)CCc2ccccc2C1 1296580736 KEALYZOMPNGWFE-LJQANCHMSA-N 405.426 1.811 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 1297727169 DANOWEYFKLCCBH-CQSZACIVSA-N 422.482 1.533 30 10 HDEE CN1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(C#N)o2)CC1=O 1298893480 MPBQOCSKCCKABC-UHFFFAOYSA-N 412.400 1.938 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300408924 OLJYZDMFLDGVAO-JKSUJKDBSA-N 412.498 1.465 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300459335 BAPABQKGYWCMNV-HXUWFJFHSA-N 405.506 1.363 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCN1CCSCC1 1300476214 YXHBJBFOWOMIIE-UHFFFAOYSA-N 401.536 1.984 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1300505990 LHUAJLVHMLAQBA-FGTMMUONSA-N 421.567 1.098 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CSCCS2)CC1 1300703865 UWOJNODYWYGDJS-SFHVURJKSA-N 414.604 1.868 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(CC)CCS(C)(=O)=O 1300762472 QFYQLHJAQWMSDJ-HNNXBMFYSA-N 400.570 1.409 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300768157 LQFXXXLNXIBRJJ-MRXNPFEDSA-N 422.562 1.974 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1301272550 HVBXRFNDCITUOZ-CHWSQXEVSA-N 424.493 1.395 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CCO1 1301375459 QATMYYVZUNUHGH-IBGZPJMESA-N 414.510 1.247 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1301517677 ASEAUFRUFNIXBM-AWEZNQCLSA-N 419.486 1.201 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](C(=O)NCC3CC3)C2)nnc1C(C)(C)C 1301519253 NWPXDJTZWVVODD-MRXNPFEDSA-N 402.543 1.620 30 10 HDEE CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1302517713 BFVQJUIPBXYXTI-HKUYNNGSSA-N 413.526 1.369 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCCn2cnnn2)C1 1302978585 JIFKZOUZCXWQGR-GOSISDBHSA-N 417.399 1.666 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1307947780 VPVAFKVKAQAUTG-INIZCTEOSA-N 410.515 1.394 30 10 HDEE C#CCC1(NC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CCOCC1 1310524591 RCEGTTAMJPIKJI-UHFFFAOYSA-N 402.451 1.877 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)CC1 1311095066 CKLIIBYVLACGJO-UHFFFAOYSA-N 405.451 1.533 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1315064985 LNLOJSSQIDXTRW-HZPDHXFCSA-N 400.508 1.601 30 10 HDEE COC[C@H](C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1315777271 GIJBPOPKJWCVSA-ZIAGYGMSSA-N 409.450 1.605 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1316536023 AMBXSEQPGPKRFP-CZIZESTLSA-N 420.477 1.930 30 10 HDEE C=CCO[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1320157234 TXCWOFUIFZBTPW-IBGZPJMESA-N 421.563 1.413 30 10 HDEE CC(C)N1C(=O)CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1354818621 RQMJXXHHWXPIOV-HGSNWSKYSA-N 406.508 1.837 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1358962304 NNOCLBMYLGYRJK-AWEZNQCLSA-N 406.537 1.381 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1358978255 HKKZUVNHHSRRBS-GOSISDBHSA-N 422.514 1.372 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1nncn1CC 1358998006 MSYBPAGKFICVOU-UHFFFAOYSA-N 419.489 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2[C@@H]2C[C@H]2C)CC1 1359047304 AEBDOKRHSXNDJR-SPUZQDLCSA-N 401.511 1.549 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1359100071 WLOVYTCGQZHMOQ-ULQDDVLXSA-N 412.556 1.634 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359122112 YYOGJSQPCOSPCO-CVEARBPZSA-N 407.540 1.348 30 10 HDEE C=CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1359216001 NJQJOWHRFYJRRU-MSOLQXFVSA-N 413.478 1.708 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)CCN1CCOCC1 1359294133 LGRBDVBPYGGSEG-UHFFFAOYSA-N 414.510 1.024 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1359299449 FSNJEGNLHWNTKN-LZJOCLMNSA-N 419.526 1.249 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCC=C(C)C1 1359334427 FIIVAMYMELAPES-UHFFFAOYSA-N 404.540 1.897 30 10 HDEE CC(C)(Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359595972 XNDVVPHDISXZPM-OXQOHEQNSA-N 406.506 1.725 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCOC2=O)CCOC1 1360318952 ALXGPCDCEUBWQC-UZLBHIALSA-N 420.514 1.899 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c(CC(C)C)nnc1N1CCO[C@H](C#N)C1 1360861506 LUMJOFHQUNVLRJ-MRXNPFEDSA-N 400.483 1.927 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCc3cc(C#N)ccc32)C1=O 1436669228 PHWABIPRTKPNQS-QFIPXVFZSA-N 404.426 1.923 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(C(=O)OCc2ccccc2)[nH]1 1443534759 HHBVEACZHHJQMA-CZIZESTLSA-N 408.414 1.628 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)C1=O 1448521620 STJKSUYOCZLLRM-IAGOWNOFSA-N 402.495 1.763 30 10 HDEE CCC[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OCC 1448557898 ULDMXAIDQKUSOP-RDJZCZTQSA-N 414.462 1.859 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)C1 1452246137 MYVPKTCSGKQCMP-SFHVURJKSA-N 403.826 1.314 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CC[C@](O)(CC#N)C2)C1 1452256016 ZVVSZXPXANWFRW-DZFGPLHGSA-N 401.463 1.680 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(=O)n1CCO 1459234578 CEKNGUINFISZST-CQSZACIVSA-N 410.430 1.148 30 10 HDEE N#CC1(C[C@H](O)CN2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCOCC1 1459881084 IWTUGXWFWIHMSQ-OALUTQOASA-N 420.941 1.555 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@](COC)(C(=O)OC(C)(C)C)C2)c1 1460610124 WPZUTZANVBZRMN-QFIPXVFZSA-N 415.490 1.996 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc(S(=O)(=O)NC3CC3)ccc2OC)C1 1464981597 TVONDPKTOPEJMK-HNNXBMFYSA-N 406.508 1.355 30 10 HDEE CCc1ccc([C@H](C#N)NC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1 1468576895 BFHJIVAZMHSXFO-ROUUACIJSA-N 421.906 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCc2ncc3c(n2)CCOC3)C1 1469727911 DETWJUSCHKCWFJ-SWLSCSKDSA-N 402.455 1.108 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H](CC(N)=O)c2ccccc2)C1 1469728099 FRCQFUGWXXUILH-JYJNAYRXSA-N 401.467 1.661 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(C2CCOCC2)n1 1470203051 TVOPDAMDGMLUEL-ZDUSSCGKSA-N 403.464 1.412 30 10 HDEE C[C@H]1COCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1494595378 UKPYBYLNXUEURY-CVTQAYBASA-N 414.510 1.762 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1503943512 HGJAVPHRCQEQTK-SUMDDJOVSA-N 424.505 1.726 30 10 HDEE CO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1503953216 NEUMEHJBEFHBOH-ABAIWWIYSA-N 406.384 1.826 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1507516918 NQGBWPXGGFQIGG-CABCVRRESA-N 405.524 1.541 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC(=O)N2CCOCC2)c1 1507549102 YMQDFDFPANCDPX-UHFFFAOYSA-N 424.505 1.317 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)SC)CC1 1507733569 DAELIEVWQSPDSF-CQSZACIVSA-N 406.556 1.134 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1507751992 TULYKJCQPRTLHU-INIZCTEOSA-N 407.565 1.677 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCN(C(=O)NC)CC1 1507797262 COYCSWVKLIXBFF-AEFFLSMTSA-N 413.526 1.726 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(NC(C)=O)nc2)C1 1508115615 BVFFYVKMWTWHMC-QGZVFWFLSA-N 420.477 1.918 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCC(F)(F)F)n1Cc1ccc(C#N)o1 1510169009 OPLUQSVFUMIUTH-JTQLQIEISA-N 420.417 1.790 30 10 HDEE Cc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC1(C(N)=O)CCOCC1 1511891203 GFGMDBSXWQNGKE-UHFFFAOYSA-N 423.521 1.063 30 10 HDEE CCN(CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1515730796 KDOMUCKMPSTHQG-OAHLLOKOSA-N 415.498 1.465 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1517480245 AOTYMJMQYGHBSO-NRFANRHFSA-N 422.493 1.615 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1conc1COC 1519255749 AXXFBQRCMMYTPM-AWEZNQCLSA-N 404.471 1.925 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)n1 1524968478 WIXUNIUYJQRSPR-HNNXBMFYSA-N 405.549 1.920 30 10 HDEE CS(=O)(=O)C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1526907824 AVELRRNUODNJCB-OCCSQVGLSA-N 409.895 1.458 30 10 HDEE Cc1nccnc1[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1537442067 LPDYYSVTLRRKCM-HNNXBMFYSA-N 413.503 1.935 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC(O)CC1 1539245510 BERUKXCNDKROKE-UHFFFAOYSA-N 402.502 1.736 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1 1539415732 GJEYLPARZSAHHF-SFHVURJKSA-N 424.567 1.473 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(CC(F)(F)F)C(=O)C1 1539560340 MDWNOPCOSIFRNK-UHFFFAOYSA-N 420.185 1.933 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)CC1 1541623808 GHGOSTYYLQINTA-UHFFFAOYSA-N 416.551 1.782 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543462509 MSXJGTGPABBLBC-SFHVURJKSA-N 403.504 1.504 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1548302807 RNPOLFLFBISRBB-DOMZBBRYSA-N 420.495 1.002 30 10 HDEE CO[C@@H](C)Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1554606377 SVZSEDQSLPAPKI-AWEZNQCLSA-N 405.462 1.834 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1CCCNS(C)(=O)=O 1555039687 FSJBKZFFESMHTL-AWEZNQCLSA-N 406.512 1.489 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)C(=O)OC 1558381187 ILZMZNRITFWOOZ-MRXNPFEDSA-N 411.524 1.827 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCC(C)(C)C2 1562475577 OZKHOWKFIVXAGA-CYBMUJFWSA-N 405.520 1.851 30 10 HDEE Cc1cc(OCC(=O)NCCN/C(O)=C2/N=CC=CC2=O)ccc1Br 1565630369 YODIRWNBSNPFNI-MSUUIHNZSA-N 408.252 1.779 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)c2nc[nH]n2)cc1 1569016791 IRHBTOYSXUJAHI-GOSISDBHSA-N 411.487 1.831 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)CC1 1584574327 OAUXXTRBMOZZKX-KRWDZBQOSA-N 419.530 1.499 30 10 HDEE C=C(C)CN1CCC(NC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)CC1 1585278771 HYBSISJLFBWRSI-AZUAARDMSA-N 403.498 1.487 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCc2c(C#N)cccc21 1585528604 BIMJHWKNIQBBMN-UHFFFAOYSA-N 400.460 1.121 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1588292954 HYCNIKZWAZYFCW-QGZVFWFLSA-N 411.506 1.908 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1588638018 MNJABOUZMNJXKH-LLGFUMIMSA-N 417.510 1.043 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCn2cc([C@H]3CCOC3)cn2)CC1 1588742788 UZSPQLSSNDVJTK-MOPGFXCFSA-N 411.554 1.947 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1 1588764710 CYDXLJUIHSMMKJ-KRWDZBQOSA-N 406.504 1.134 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)OC(C)(C)C)CC1 1588884513 CVCPWGZOFYGMMY-UHFFFAOYSA-N 418.542 1.892 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1589483248 NUIKDLIBOPULBZ-DOTOQJQBSA-N 420.558 1.748 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1593746767 MOOFSBYTCRIGPG-INIZCTEOSA-N 413.544 1.050 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@]2(OC)CCOC2)CC1 1594193958 UBRLRUDSJWRNMC-RDTXWAMCSA-N 413.544 1.096 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1594497245 DESJBFMTWZOGDJ-HZPDHXFCSA-N 416.526 1.269 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)C2(CCC2)C1 1595476100 HVHUHSVIGOXZBM-HUUCEWRRSA-N 424.571 1.207 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)O)C1 1595701120 WHWUQDTXFGAAEL-KRWDZBQOSA-N 410.482 1.473 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCC(=O)N2CCOCC2)C1 1595707081 SICUMQQHXHBRMI-QGZVFWFLSA-N 414.510 1.314 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1596184740 RUKYKVFENQKASZ-GOSISDBHSA-N 421.505 1.400 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@H]1C 1598063186 SAZFCBSXGZFHAR-MRXNPFEDSA-N 423.521 1.646 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCNC(=O)[C@H]2c2ccccc2)s1 1611196868 HLXANNWOSLVWKN-GOSISDBHSA-N 419.528 1.455 30 10 HDEE CC[C@@H](C)c1nnc(N(C)Cc2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1613173467 UUSHJTIHOFGESK-UFOSLELVSA-N 410.482 1.744 30 10 HDEE C[C@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C(N)=O)C1 1617118767 SUXSTCSZYTZDET-ZBEGNZNMSA-N 405.296 1.869 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(F)(F)F 1617385846 FROPZMPIOIHDEE-UHFFFAOYSA-N 416.429 1.755 30 10 HDEE N#C[C@]12CN(C(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)C[C@H]1CS(=O)(=O)C2 1618171778 LZRPFGUXJHPXDG-ZJNRKIDTSA-N 407.879 1.090 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1618502765 WDGKMCCAARYZLI-SJORKVTESA-N 421.505 1.304 30 10 HDEE COCc1nocc1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C)(C#N)CC1 1619676205 ODXZITOYMRHINH-UHFFFAOYSA-N 401.471 1.729 30 10 HDEE N#Cc1cnccc1CN1CCN(c2ncc(I)cn2)CC1 1620476988 JQDPKHQJOZTQGI-UHFFFAOYSA-N 406.231 1.670 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)COCc3nccn3C)c(C#N)c2N)cc1 1621094359 XYTHAEVLRXDOJM-UHFFFAOYSA-N 407.478 1.634 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cnn(C)c2)C2(CO)CCC2)c1 1624824285 UNNVGZZQZLUVCL-IBGZPJMESA-N 415.515 1.851 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1624889394 GLLFSRPEPCKYDS-UHFFFAOYSA-N 423.473 1.893 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(C(C)=O)CC1 1625641804 KIWNDXZEQXQLOZ-OAHLLOKOSA-N 402.923 1.303 30 10 HDEE CCOc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1S(=O)(=O)N(C)C 1628726331 BAGZCVDYXVNPKO-UHFFFAOYSA-N 402.472 1.932 30 10 HDEE CC[C@H](CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1630984311 SDUAWJXHCLHWSA-CQSZACIVSA-N 409.508 1.601 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C 1631921096 NXFLMUNZFVLZIZ-UHFFFAOYSA-N 406.372 1.869 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C\c2ccccc2)C1 1634492498 PRCCSPILNXHJRQ-QFSNBGPKSA-N 410.561 1.848 30 10 HDEE COc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1 1634585981 XDPXMNPCGXJWTG-IBGZPJMESA-N 415.471 1.445 30 10 HDEE CCCNC(=O)OC[C@H]1CCCCN1C(=O)C(=NOCC(=O)OCC)c1cc[nH]n1 1634898852 AZSKECITEHHOOK-CQSZACIVSA-N 423.470 1.211 30 10 HDEE N#CCCN(C(=O)CCC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1ccccc1 1635378109 DLROFNZOYWRTPL-UHFFFAOYSA-N 421.461 1.784 30 10 HDEE Cc1cc(Cl)ccc1S(=O)(=O)NCCNC(=O)c1nc(O)c(C#N)cc1C 1636032520 NFRNJHWFSKARPE-UHFFFAOYSA-N 408.867 1.637 30 10 HDEE C#CCOCCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1637170993 RNKCBYAVNODBFN-KRWDZBQOSA-N 404.463 1.779 30 10 HDEE Cc1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@@H]32)c(C)n1-c1ccc(C#N)cc1 1638773492 SMTWTAAHBOOOSY-PMACEKPBSA-N 413.499 1.994 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CN(C)CC1(C)C 1639135600 KJHJVIZJWDAJKF-RDJZCZTQSA-N 406.552 1.596 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)/C=C/C(=O)c1ccc(C)cc1)CCS2(=O)=O 1640208863 XJKXDDCVXXYJSL-OOKOHWLTSA-N 419.499 1.749 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C2 1640416693 HGBCRCGBBGLAAC-AKCHCHLHSA-N 419.503 1.417 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@](O)(c2ccccc2)C1)c1cc[nH]n1 1640563078 UVVKAMHXMMELGA-FQEVSTJZSA-N 400.435 1.204 30 10 HDEE CC[C@]1(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCCN1C(=O)OC(C)(C)C 1640636712 MBOMUIWTISLHEB-HXUWFJFHSA-N 417.466 1.384 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)Nc3ccn(CC(=O)OCC)n3)ccc2c1=O 1641696620 AYAAZIAIUUKBSG-UHFFFAOYSA-N 413.459 1.883 30 10 HDEE C[C@H](C#N)CN(C)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1644491967 GQSLDRCOWRXLPD-QGZVFWFLSA-N 408.524 1.362 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCc3c(sc(N)c3C#N)C2)ccc1OC 1646250655 INDSXKRYIUWHSR-UHFFFAOYSA-N 406.489 1.317 30 10 HDEE Cc1cnc2c(c1)N(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)CCN2 1648346803 XICDAJBTFDRALX-MRXNPFEDSA-N 404.430 1.925 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(CN3CCCCC3)CC2)c1 1648646367 USEZVLTWHCDLJI-UHFFFAOYSA-N 418.559 1.937 30 10 HDEE CCO[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C 1654129489 AFFXHUJPFFSHHK-FGTMMUONSA-N 411.543 1.919 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1 1660205056 LHMKBCMLHKJNJX-UHFFFAOYSA-N 410.439 1.508 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc(OC[C@H]3CCOC3)c(F)c2)nn1 1663556016 PGGIYVDWRYBGMV-AWEZNQCLSA-N 410.471 1.887 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1)C(=O)OCC 1663976066 PXMQRHYZRPWAGJ-CQSZACIVSA-N 408.473 1.373 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(OC)(OC)[C@H](O)C2)cc1 1673398494 KXOIWFJKKOLHCH-MRXNPFEDSA-N 413.496 1.081 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H](c2ccc(F)cc2F)c2nccn2C)CC1 1676637754 RKGULLOWYCDWOP-SFHVURJKSA-N 415.444 1.959 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)C2)nc1 1682407861 SPFPCDHAWUUNOD-RDYUPDBUSA-N 411.466 1.060 30 10 HDEE COC[C@H](CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)OC 1682687570 KUFDUKROLFSTBE-AWEZNQCLSA-N 403.439 1.689 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2cccc(CN3CCCCCC3)c2)c(=O)nc1O 1683444727 BUVWUGSVVJKAIX-UHFFFAOYSA-N 424.505 1.696 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)n1 1683936214 HGEWGTXVMWSVJY-KRWDZBQOSA-N 405.499 1.684 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCCC1 1689850786 HKXRPKHKDGJVHQ-SJORKVTESA-N 421.567 1.431 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689885498 KMZKXOAFNPEHTR-NRFANRHFSA-N 422.493 1.353 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689934551 ZWWWRVPKINBPLL-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)CCN1CCOCC1 1689937250 TVSNCNLUARAWDW-UHFFFAOYSA-N 416.551 1.451 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1689978538 XYCCGOHGUJSACR-QGZVFWFLSA-N 421.567 1.623 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(COC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1689980640 VMMRXVWERONVFL-KRWDZBQOSA-N 424.567 1.471 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689986013 GYDHNDWYQXBTDY-GJZGRUSLSA-N 406.483 1.746 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1689989385 FEKZKCVLVGZDQH-BRWVUGGUSA-N 410.540 1.224 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1Cc1cn(C2COC2)nn1 1690083734 MQUVYEUCVQMREE-UHFFFAOYSA-N 407.478 1.836 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@@H]1COCCO1 1690098378 GFQOHFVOGXHERH-GOSISDBHSA-N 407.474 1.995 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690104172 ORGBBOFMTXDEKP-KRWDZBQOSA-N 419.526 1.735 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690175099 PWWZMVPSKARYSZ-ZWKOTPCHSA-N 405.568 1.307 30 10 HDEE C=CCn1c(N2CCN(Cc3cc(C)no3)CC2)nnc1[C@]1(OCC)CCOC1 1690653283 KOSBKYMMCNMHFC-FQEVSTJZSA-N 402.499 1.735 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1696288294 UPVVXZTZYLRUEH-MGPUTAFESA-N 418.448 1.740 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CC1 1696849478 CYJQOZJIASCECX-LBPRGKRZSA-N 407.272 1.300 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 1705553485 QSAZNBBQYBKOEK-ICSRJNTNSA-N 421.549 1.509 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1705564224 MRCACRWVRPVMHM-HZPDHXFCSA-N 405.524 1.193 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1705567506 YECMXIUPAZZNBW-MRXNPFEDSA-N 413.507 1.105 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)C1CC1 1705592989 AWNCHNMYZUGMBP-UHFFFAOYSA-N 421.501 1.951 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@H](O)C1 1705610257 IJVVPQQOMZLOMR-NRFANRHFSA-N 419.533 1.753 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1705612385 GGONPCCBSIWFNO-KRWDZBQOSA-N 416.547 1.915 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705637653 GRVDQMJOXNATDO-BGYRXZFFSA-N 424.597 1.802 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCN(C3CC3)C2)CC1 1705649573 CBBUVDJNEXKBER-SFHVURJKSA-N 412.582 1.927 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1705684778 BWGZUOKTAMBWQE-GFCCVEGCSA-N 419.287 1.200 30 10 HDEE C=CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1705818005 YAHLCSWRKWAEHD-KRWDZBQOSA-N 416.526 1.413 30 10 HDEE Cc1cc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cs1 1707294413 UQMWNZRARUJGCA-BLLLJJGKSA-N 412.516 1.749 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)N(C)CC 1708530379 BGHWOAPYBWWJFS-MRXNPFEDSA-N 410.526 1.863 30 10 HDEE CCn1cnnc1Cn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1710194432 NLNAWCFFNLZBJN-UHFFFAOYSA-N 406.498 1.654 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1712882489 HWHCSAUPJCYUOB-SJORKVTESA-N 423.539 1.116 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1722322046 NAPLQEDVIVWJBC-UHFFFAOYSA-N 417.477 1.455 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722350078 KXYANAPCACPKNI-OAHLLOKOSA-N 404.482 1.305 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc2c1OCO2 1722374599 YDZJMOHMDKBTSC-JOCHJYFZSA-N 408.458 1.780 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(C(N)=O)CCCC2)CC1 1722449578 MICDKFUSZSXTPX-UHFFFAOYSA-N 412.538 1.242 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1722527704 RBFWSPXNGQPZDW-UTKZUKDTSA-N 419.526 1.491 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC[C@@H]1C 1722692427 LTHWRUYWATWDHJ-INIZCTEOSA-N 412.494 1.675 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1730366625 BNHQEMZUGPTDBT-UFOSLELVSA-N 411.466 1.415 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1740538508 NBOOERMBKASJLT-IPJJNNNSSA-N 419.570 1.889 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CC1 1740540018 TUOJUIRGFKCHHT-CYBMUJFWSA-N 403.464 1.888 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CC=CCO1 1740546830 LKYSQFAQDDLSEX-HOTGVXAUSA-N 404.474 1.995 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555835 OXBMMSMBVUTIAY-NVXWUHKLSA-N 402.524 1.146 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740559683 STBFUXJWKDETCD-SFHVURJKSA-N 411.554 1.858 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCCS(=O)(=O)C1 1740614368 OUFVYXRTTCCDEM-INIZCTEOSA-N 418.519 1.760 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1740773180 VHUPXJFKBSQUPX-OAHLLOKOSA-N 421.505 1.873 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1740775608 BBMVYWSMWVUEBJ-UHFFFAOYSA-N 409.556 1.770 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1741801459 ASWMGMMWEBAXCJ-HOCLYGCPSA-N 422.555 1.540 30 10 HDEE Cc1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1742756321 UJTWTQWWGWUVAY-HNENSFHCSA-N 410.434 1.478 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1743272369 VAEMKLGYFWCMFN-ORQRPPJRSA-N 410.482 1.297 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(N2CCOCC2)CCSC1 1743782641 HHMYDTTVPSLOFR-SQGPQFPESA-N 420.583 1.728 30 10 HDEE CCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCO[C@H](C#N)C1 1745655037 GVQWUCCALQRTJK-CQSZACIVSA-N 403.512 1.685 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1748637509 AYTKNONLIKKMKJ-CQSZACIVSA-N 407.482 1.778 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@H](OC)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1748818113 VTEKPCIRHDKSID-OLZOCXBDSA-N 408.446 1.435 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cn(CCCC)nc2C)CC1 1748990003 FKJUPTPGODQCMJ-LJQANCHMSA-N 424.553 1.338 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(S(C)(=O)=O)CC1 1749253245 YPPDZEFLTDPUDU-ZDUSSCGKSA-N 406.936 1.768 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC[C@@H]2CCOC2)CC1 1749303717 NSDVDAFBUYRDGS-ROUUACIJSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccc(C)s1 1749482714 MVLDUWLIGHXUIQ-UHFFFAOYSA-N 419.536 1.706 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)N(C)C 1751127065 UTTJVCPMVOMMPS-ZYSHUDEJSA-N 407.522 1.824 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C2CC2)cs1 1760097711 JARXDCUQUQJWIG-NEPJUHHUSA-N 408.553 1.728 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1760099034 BWLWHBUZLATBDY-ZHRRBRCNSA-N 413.522 1.832 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1760143512 IULRFPKHTZPGBG-GOSISDBHSA-N 400.527 1.086 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1760153105 HTFWBQPQUDSTTF-GOSISDBHSA-N 424.480 1.631 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OCC)c1ccccc1 1760162724 FKNVBJPJEOFZPW-DOTOQJQBSA-N 405.524 1.736 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1760170649 KVPCIQKTZGFPIF-UHFFFAOYSA-N 402.462 1.467 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1760189188 SFNFMYMQFVKKIV-INIZCTEOSA-N 419.551 1.218 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCC(=O)NC 1760247822 QNCFCYDWETVFTA-UHFFFAOYSA-N 407.478 1.353 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760427677 GPFBYMZVFCAESM-GJZGRUSLSA-N 418.585 1.406 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)CC(C)(C)CN1CCOCC1 1760522710 BTCUYZPVSGBFNH-UHFFFAOYSA-N 415.542 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccccc1C 1760522912 GJXJEIDBPIWPBO-UHFFFAOYSA-N 407.478 1.861 30 10 HDEE C=CCNC(=O)Cn1c(N2CCNC(=O)CC2)nnc1C1(c2ccccc2)CCC1 1760529225 ZXONDTLMPGGQGC-UHFFFAOYSA-N 408.506 1.377 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(F)cc2)CC1 1760529904 ITUXUEKJOKHVPQ-GOSISDBHSA-N 414.485 1.898 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)CC1 1760532976 KTFFOPMPQAFDBZ-KRWDZBQOSA-N 424.505 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(C)(C)C)C1 1760557115 AMGYCKHIESWPKZ-MRXNPFEDSA-N 423.583 1.874 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1761433651 BSLCLQSMKYJWGX-UEXGIBASSA-N 424.549 1.992 30 10 HDEE Cc1ncsc1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1761610752 FJESDUCZAAQFFE-CYBMUJFWSA-N 423.568 1.636 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1(O)CCOCC1 1764108423 ICQJVCITKIRYMJ-UHFFFAOYSA-N 404.515 1.478 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H](C)C#N 1766686573 CKACZVWRWHHJOM-ZDUSSCGKSA-N 405.480 1.704 30 10 HDEE CO[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1768018507 PCKCQUGPDAEKLL-HNNXBMFYSA-N 407.482 1.307 30 10 HDEE CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1768448271 ZXJMFTBKLVNNEE-MSOLQXFVSA-N 416.489 1.957 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cc(C)nn1C 1769120976 HKIPTGGQNGNPKO-CQSZACIVSA-N 406.494 1.725 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1770185635 RJNMWRIVFNLZSV-MPGHIAIKSA-N 401.467 1.988 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(C)CN(C)C1=O 1770460140 CDCTZYQEDRJSIU-IERDGZPVSA-N 410.478 1.085 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(C2CC2)nnc1N1CCN(CC(F)F)CC1 1770832554 CXJMDSIDWLRRMY-VLGSPTGOSA-N 421.452 1.069 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(O)CCC1 1771218175 BJSWPTFLYASIJQ-DOTOQJQBSA-N 404.515 1.094 30 10 HDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772788209 NBMMUIJAGSXJBO-GFCCVEGCSA-N 403.412 1.859 30 10 HDEE C=CCCC(=O)N1N=C(C(=O)N2CCOCC2)S(=O)(=O)c2ccc(Cl)cc21 1850351219 STHLQBHWBVKAAN-UHFFFAOYSA-N 411.867 1.599 30 10 HDEE Cc1c(C(=O)NCC#CCN(C)C)cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 1850611556 SKSQIISRKIDYTH-UHFFFAOYSA-N 405.462 1.798 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(OC)cc2)CC1 1851045810 NBAUUYALZBRHOS-FQEVSTJZSA-N 419.547 1.406 30 10 HDEE Cn1c(=O)c2c(ncn2CC(=O)N2CCCC[C@@H]2[C@@H](C#N)c2ccccc2)n(C)c1=O 1851071192 YONXMFMISVASLT-DLBZAZTESA-N 420.473 1.122 30 10 HDEE COc1cc(CC(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)cc(OC)c1 1851120340 NOHGDKSDJXHXRA-UHFFFAOYSA-N 420.473 1.775 30 10 HDEE C[C@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)N1Cc2ccccc2C1=O 1851597313 XLBZAXZZBBGYON-QGZVFWFLSA-N 419.485 1.663 30 10 HDEE COc1cccc(OC)c1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1851674132 PORIHUGMCXUCNA-UHFFFAOYSA-N 406.446 1.846 30 10 HDEE C=CCN1C[C@H](C(=O)OCCNC(=O)c2ccc(-n3ccnc3)cc2Cl)CC1=O 1852499163 DSQZJGDWOKUVJJ-CQSZACIVSA-N 416.865 1.833 30 10 HDEE C[C@H](C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F)N1C(=O)c2ccccc2C1=O 1853076168 LZNLZMDFTBHNSA-SECBINFHSA-N 417.365 1.542 30 10 HDEE C=CCN(C(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)c1ccc(C#N)cn1 1853353822 WVOGLYGRVRUXJF-HXUWFJFHSA-N 424.526 1.814 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CCCC[C@H](N3CCC(CC#N)CC3)C2=O)CC1 1853651575 LBUSIFWKDISOFY-SFHVURJKSA-N 424.567 1.191 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1C#N 1854132825 FNKJDPKOGZWZOT-SFHVURJKSA-N 415.515 1.509 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCN(C4CC4)C3=O)C3(CCCC3)C2=O)c1 1854134596 NSOPVGORZWUYOM-IBGZPJMESA-N 406.486 1.919 30 10 HDEE Cn1ccc2cc(C(=O)N3CCN(S(=O)(=O)CC#N)C4(CCCC4)C3=O)ccc21 1854400691 BLCGYOINGFBEHN-UHFFFAOYSA-N 414.487 1.629 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1 1854503090 RSOHAFHBIHEYRM-CQSZACIVSA-N 402.520 1.406 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1855014389 FKUJMFJYVKHGQJ-FUHWJXTLSA-N 401.511 1.591 30 10 HDEE CC(C)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)OC1=O 1855828584 QDMLCUDBDLWYGV-QGZVFWFLSA-N 405.476 1.962 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3ncc(Cl)cn3)C2)C1 1856392072 IETTZNLAKIGDRZ-GFCCVEGCSA-N 412.837 1.149 30 10 HDEE N#CCC1CCN([C@H]2CCCN(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2=O)CC1 1856538465 IPIVNXGDJHGNQT-KRWDZBQOSA-N 416.913 1.709 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCC[C@H]3Cn3ccnn3)C2=O)c1 1856777251 ROTWXBIDHXMJKP-MAUKXSAKSA-N 412.881 1.903 30 10 HDEE CN(C)c1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857026309 JMEGLYVROBVWIX-QGZVFWFLSA-N 418.519 1.307 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCc2cnc(C)s2)C1)[C@H]1CCN(C)C1=O 1857042870 GLCDELHZABZJHI-WMZOPIPTSA-N 418.563 1.868 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cncc(Cl)c3)C2)CC1 1857062928 SOQOJVKBSGZDOH-CQSZACIVSA-N 410.883 1.289 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCCC[C@@H](N4CCC(CC#N)CC4)C3=O)nc2n1 1857247695 ZJKLHCYEUIYFOR-QGZVFWFLSA-N 409.494 1.888 30 10 HDEE C=CCNC(=O)[C@@](C)(CC)NC(=O)c1ccc2c(c1)C(=O)N(CCCOC)C2=O 1861516286 DQUQVKRRRLMHFR-OAQYLSRUSA-N 401.463 1.520 30 10 HDEE CN1CCC(=NC(=O)c2c[nH]c3ccc(I)cc3c2=O)NC1=O 1866154738 FLHIHCLLBOABMQ-UHFFFAOYSA-N 424.198 1.717 30 10 HDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCC[C@H](CO)C1 1868783917 ULKWKNMRKPEONQ-XYJFISCASA-N 418.563 1.760 30 10 HDEE CC[C@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868796892 YMVYHOFLTFTIGW-ROUUACIJSA-N 418.563 1.903 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCCCO 1870359010 MLYXNZDTKDVTIH-UHFFFAOYSA-N 421.538 1.062 30 10 HDEE C=CCn1cc(OCCOc2ccc(OC)cc2)c(=O)cc1CN(CCO)CCO 1870459188 LQUUCHACEYUUFU-UHFFFAOYSA-N 418.490 1.287 30 10 HDEE CN1C(=O)c2ccc(NC(=O)Cc3nonc3OCc3ccc(C#N)cc3)cc2C1=O 1872664592 HBPNAEWGBRCXOH-UHFFFAOYSA-N 417.381 1.927 30 10 HDEE CC#CC[C@H](NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1)C(=O)O 1984846661 WUSINBOIDAEIEV-SFHVURJKSA-N 417.506 1.996 30 10 HDEE CC(C)(C)OC(=O)NOC(C)(C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010406752 YNRSAOFOWMEDFA-UHFFFAOYSA-N 422.291 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CCC=C(B2OC(C)(C)C(C)(C)O2)C1 2015325935 JBTUEJIISVSTBU-AWEZNQCLSA-N 423.319 1.545 30 10 HDEE C=C[C@]1(O)CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 2074504624 NOGAMQCQSNYXSZ-FQEVSTJZSA-N 406.504 1.652 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788238 CCCQBMAZVXVSAS-RYZVSIALSA-N 414.509 1.655 30 10 HDEE C#CCN(C(=O)[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180112052 CALVYZIXYIKLDZ-VXGBXAGGSA-N 412.430 1.481 30 10 HDEE C#CCOCCOCCNC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CCSC1(C)C 2193877853 HAUNNLCERFGVJF-HNNXBMFYSA-N 400.541 1.900 30 10 HDEE C=CCN(CC=C)C(=O)C[S@@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195284789 VKDBWKRBHFSDQC-PGGUUEOZSA-N 402.513 1.692 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2243676578 KXWYJZSUKJTMDL-UHFFFAOYSA-N 401.272 1.847 30 10 HDEE CC(C)(C)OC(=O)NC1CC(NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2248058523 ZJGGMRAGEBPJJC-UHFFFAOYSA-N 418.303 1.561 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)OCCO1 2255932816 HHJQGWWTOIMAMJ-UHFFFAOYSA-N 417.720 1.681 30 10 HDEE CS[C@H]1COC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267720414 AZWJVYOKLLELED-RYUDHWBXSA-N 405.372 1.456 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)N2CC(C#N)C2)C[C@@H]1C(F)(F)F 2279242740 MLTXMFZCMMNHDM-NWDGAFQWSA-N 412.434 1.607 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(C)CCN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282308253 OYGTYEPLUROKIX-KRWDZBQOSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2NCC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315620 QFOYVJYSXAKWRR-WCQYABFASA-N 400.375 1.632 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H](CO)C1 2282323850 HUXIFEFIUNCLFA-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)CC2CNC2)c1B1OC(C)(C)C(C)(C)O1 2282503233 WVCSBVDSQWCDCI-UHFFFAOYSA-N 400.375 1.504 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2OCC[C@@H]2F)OC1(C)C 2282507448 HURWWHVGSRXFGW-STQMWFEESA-N 405.322 1.594 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1sncc1B1OC(C)(C)C(C)(C)O1 2282611533 MLGVLJNSZBGHDF-UHFFFAOYSA-N 402.347 1.339 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@H]2CCOC2)OC1(C)C 2282835307 SCAYJCVFNXWHLU-LBPRGKRZSA-N 402.347 1.288 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC(C)(C)C(=O)O 2284406626 ANEWXHNCQYIVHT-UHFFFAOYSA-N 403.331 1.745 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCC[C@H]2C(=O)O)OC1(C)C 2284410120 RGWGWQKRJOKYKD-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE N#Cc1ccnc(N2CCC[C@@H](c3nc(=N)[nH]cc3-c3cccc(C(N)=O)c3)C2)n1 2296587894 UAHCVDSMWNPFPR-OAHLLOKOSA-N 400.446 1.701 30 10 HDEE CC[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300230749 NUYIUJAFVUOZAT-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)NC(=O)OC(C)(C)C)n1C 2300295243 WQTSTZUHRKBGFF-LBPRGKRZSA-N 422.335 1.671 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2315535129 SLHLBEWJZDDFGO-FUHWJXTLSA-N 424.354 1.970 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)s2)OC1(C)C 2360620072 DEJOSQDJCMRXMU-JTQLQIEISA-N 401.230 1.853 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2365202849 QAJCWBSBAQKWAW-CABCVRRESA-N 402.557 1.816 30 10 HDEE Cc1csc(CNS(=O)(=O)CCOCCF)c1B1OC(C)(C)C(C)(C)O1 2365572450 BKEBJYIEMDUZOE-UHFFFAOYSA-N 407.338 1.761 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367805619 CXCKSNYYDLXGJF-YJBOKZPZSA-N 402.557 1.553 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367805682 DJKJIZUBSHVVBO-OWCLPIDISA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367814894 FCFOJRBJBCUTHR-IIDMSEBBSA-N 400.541 1.163 30 10 HDEE C=CCN1CCN([C@@]2(C(=O)O)CCCN(C(=O)OCc3ccccc3)C2)[C@@H](C)C1=O 2372873783 VOXHYUHCVLCFRU-JTSKRJEESA-N 415.490 1.961 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3cccc(F)c3)n2N)cn1 59830069 DDVVAZJOSZBWJM-DNTJNYDQSA-N 415.458 1.690 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 109020115 YPLLARFOMAKELR-QGZVFWFLSA-N 417.462 1.073 30 10 HDEE C=CC[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 410072137 ZICUFVISFCGEIE-INIZCTEOSA-N 424.519 1.302 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCSC)NC(=O)c2ccc([N+](=O)[O-])o2)C1=O 410142368 OZVBFZIGYDDGPT-OLZOCXBDSA-N 424.479 1.285 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1=O 429459657 YRBIPZYNJPSXTP-ZRGWGRIASA-N 421.505 1.567 30 10 HDEE CC1=C[C@@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 430293476 ZSBSUJMIYAEITG-MRXNPFEDSA-N 402.520 1.289 30 10 HDEE N#CCCn1cc(CNCCN2CCN(C(=O)C3CCC3)CC2)c(-c2ccncc2)n1 433327404 SNEICKRJBBTQHF-UHFFFAOYSA-N 421.549 1.893 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 437421471 VUEKIGFFOPTLMF-HOCLYGCPSA-N 407.492 1.586 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 447749411 ZTSTVOVDPZTGJG-JOCHJYFZSA-N 404.426 1.951 30 10 HDEE CSc1nc(O)c(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)cc1C#N 461752519 USMICXJPUKZZPB-UHFFFAOYSA-N 418.500 1.851 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)Nc1ccc2c(c1)CCCO2 465425788 WDYIKCZLNGYSHV-CQSZACIVSA-N 406.446 1.349 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(C)c2Br)CC1 468943499 KUFPZRDFHSWELA-UHFFFAOYSA-N 409.328 1.887 30 10 HDEE CC(C)Oc1ccc(NC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc1C#N 478050785 ZETXMNSOXXZGPR-MRXNPFEDSA-N 409.512 1.738 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C3CCN(C(=O)c4ccoc4)CC3)C2=O)cc1 486018146 LNTDZIKUAFKFKP-HXUWFJFHSA-N 420.469 1.921 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)CC2)ccc1F 488827744 VZLVMUSZPSEWLP-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCSC)C(=O)N1CCN(C(=O)CC#N)CC1 503642369 IBONYUUNVIEDEV-MRXNPFEDSA-N 418.519 1.131 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C#N)c1 508919202 QAEZICWILMPDJO-KRWDZBQOSA-N 416.507 1.305 30 10 HDEE CN1CCC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 521232719 YOXOIFOXUPMCLK-ZDUSSCGKSA-N 400.826 1.073 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)nc1 522647662 ANUHTPHZVAWGEF-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccc(F)cc1 525173376 NENAXKCCUOFWMX-UHFFFAOYSA-N 423.469 1.434 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN(C[C@H](C)C#N)C3CC3)CC2)cc1C 533596167 JVKPUCSVEKKSDR-MRXNPFEDSA-N 418.563 1.760 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2c(C)nn(C)c2C)C(F)(F)F)CC1 544641813 PRHQQWFAIFFPIF-INIZCTEOSA-N 416.448 1.270 30 10 HDEE CC(C)[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1nnc2ccccn12 555047184 UJLBZYGRIHPTKZ-GOSISDBHSA-N 412.475 1.393 30 10 HDEE C[C@@H]([C@H](N)C#N)n1cnc(I)c1I 575506517 ACQHBCUXHZGSDY-CRCLSJGQSA-N 401.977 1.504 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2C[C@@H]2CCCO2)cc1 578673061 GPLFCADPJVFRGN-AEFFLSMTSA-N 423.477 1.122 30 10 HDEE CN([C@H](C(N)=O)c1cccc(Br)c1)S(=O)(=O)CC1(C#N)CCC1 582513913 ASWMBGNOTVRJDS-ZDUSSCGKSA-N 400.298 1.931 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 603825358 IAPJQCQMPWDQJK-INIZCTEOSA-N 422.493 1.714 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2coc3ccccc23)c(=O)n1C[C@@H]1CCCO1 610956966 GCZFIFSLEIGJSX-AWEZNQCLSA-N 409.467 1.084 30 10 HDEE CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCC2CCC(C#N)CC2)CC1 619684379 SMEQVCSXEBORJC-UHFFFAOYSA-N 411.506 1.459 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)ccc1F 741628458 HEWMEIKGWCEWEX-OAHLLOKOSA-N 421.498 1.422 30 10 HDEE C[C@H](CC(=O)N1CC(Oc2ccncc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742626787 BBENDFOJVUFDJU-CYBMUJFWSA-N 400.460 1.189 30 10 HDEE O=S(=O)(c1ccccc1NN=Cc1cn2cccc(F)c2n1)N1CCOCC1 755754812 SODVGYOCJIZANY-UHFFFAOYSA-N 403.439 1.940 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3c2OCCCO3)c1=O 758067068 MPUFBUZVQPJXST-UHFFFAOYSA-N 420.490 1.577 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(OC)c(C#N)c2)cc1 759028507 TYIUTFUTHIKSDL-UHFFFAOYSA-N 417.487 1.986 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)c1 763787208 QMTHNCXWTJGBJU-SJLPKXTDSA-N 420.487 1.709 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)N(C)C)ccc1OCC)[C@H]1CCS(=O)(=O)C1 774047605 UZHQEPKIKRPHGE-HNNXBMFYSA-N 407.492 1.441 30 10 HDEE C#CCN(C(=O)NC1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774173545 XGDVNOAGVSEJEM-LJQANCHMSA-N 407.511 1.622 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3ccc4c(c3)COC4)cc2C1=O 776126580 HVHQEFWVPJYOMT-UHFFFAOYSA-N 412.423 1.618 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2cccc(F)c2C#N)cc1 781597325 HSNAMZJRJXMZOS-UHFFFAOYSA-N 410.448 1.539 30 10 HDEE CCOCCCn1c(=C(C#N)C#N)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 782571362 JDZFHPSETUYOOW-UHFFFAOYSA-N 400.410 1.513 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)NCc2ccc(Cl)cc2)n1 788814491 YFNLPSUCAZRZES-UHFFFAOYSA-N 417.897 1.644 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1 791028879 MCZDPNPSWXVCEN-SJORKVTESA-N 409.471 1.306 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NS(=O)(=O)c2c(Cl)cnn2C)C1=O 797455684 CAFQLOQLJIPMTB-OAHLLOKOSA-N 405.908 1.938 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)c1 797694969 JFWQTKLXIJOVPA-TWOQFEAHSA-N 406.504 1.397 30 10 HDEE NC(=NOC(=O)CCCN1C(=O)c2c(F)cccc2S1(=O)=O)c1cccs1 799314472 JNZXIFZPUMTJJG-UHFFFAOYSA-N 411.436 1.676 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 804458166 BOQVIKAZRNIUCS-QAPCUYQASA-N 402.520 1.455 30 10 HDEE C#C[C@@H](NC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)c1ccc(Cl)cc1 810190854 APIUEKAYOYCDQG-QGZVFWFLSA-N 401.854 1.891 30 10 HDEE C#C[C@H](NC(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)c1ccc(F)cc1 812888164 SFSHBKMBGNLKLH-IBGZPJMESA-N 419.478 1.924 30 10 HDEE Cc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1[C@@H]1CCS(=O)(=O)C1 914539559 FNKGJYWLSNLIHA-ZBFHGGJFSA-N 421.544 1.782 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc(Cn4ccccc4=O)no3)C2=O)cc1 1119495810 ARFDOTSMSYYAOR-OAHLLOKOSA-N 404.386 1.209 30 10 HDEE N#CCc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)cc1 1143220659 MWJVVJFYLKJNOY-UHFFFAOYSA-N 414.487 1.167 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 1146248007 SIGBCYVVOSSEHM-UHFFFAOYSA-N 406.504 1.792 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CC(=O)N(C4CC4)C3)C2)C1 1152269247 NVCDCNSPAFSDMZ-FOPHHXNCSA-N 416.522 1.900 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@](C)(C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1160881659 YNAKPXHBDVDJQL-LJQANCHMSA-N 408.455 1.274 30 10 HDEE C#CCN(CC(=O)NC1(CCO)CN(C(=O)OC(C)(C)C)C1)C(=O)OC(C)(C)C 1162106853 CCDBBWJSSSSSLC-UHFFFAOYSA-N 411.499 1.345 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1165489252 KWHKIWCHWPQGEB-MOPGFXCFSA-N 405.462 1.338 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CC(Nc3cccc(C#N)c3)C1)C2=O 1168642889 QNYZRGZWBFQKJN-YEZVWNJWSA-N 409.490 1.928 30 10 HDEE C=C(Cl)C[C@H](NC(=O)C[C@H]1CS(=O)(=O)c2ccccc2O1)C(=O)OCC 1171439827 PLJZIBFKQYJUDY-STQMWFEESA-N 401.868 1.802 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1175170143 STRCIPOPVUIVDT-VLIAUNLRSA-N 410.467 1.200 30 10 HDEE C#CCN1CCN(C(=O)CN(CC#C)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 1176129956 ODIMPXSVHGDDDY-UHFFFAOYSA-N 402.539 1.099 30 10 HDEE C=CC[C@H]1CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1176814528 ODCUWHFHTJHATG-INIZCTEOSA-N 423.535 1.187 30 10 HDEE C[S@](=O)[C@@H]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1184407167 VUDCJLGJFYPDOD-SOJYVHKHSA-N 402.476 1.179 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)ccc2OCCOC)CC1 1192715042 JDFFFOAUYZWJEJ-UHFFFAOYSA-N 418.309 1.623 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C[C@H](C)C#N 1213939160 CBDOWFCYTJWTPK-BXUZGUMPSA-N 418.313 1.459 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C1 1278103892 OFDICOVWMYVFIC-GOSISDBHSA-N 422.411 1.677 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1cccc(F)c1)N(C)C)[C@H]1CCS(=O)(=O)C1 1286384698 JPTCXUJKUKOBLN-RBUKOAKNSA-N 419.526 1.655 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(CN2CCCC2)cc1 1286407549 MDURYWOLZPIIFB-OAQYLSRUSA-N 416.529 1.946 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(N(C)C)CCSC1 1286448621 ZLYKPNPLMVTJRB-YJBOKZPZSA-N 411.597 1.077 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[S@](=O)CC)CC1 1286490156 MURZRCMMLDZADA-GDLZYMKVSA-N 414.535 1.075 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCOC2)C1 1286512029 QIEVCNJSPNZZHG-HXUWFJFHSA-N 416.551 1.502 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1286706607 RJAIYFNNUBTTMP-UHFFFAOYSA-N 419.551 1.999 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCc1ccco1 1286757216 IULXKMQJEMASKL-OAHLLOKOSA-N 419.507 1.268 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCC(=O)N1 1287008987 QEBFMURIMZPHJK-MRXNPFEDSA-N 408.510 1.447 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1289436997 MKUNHFLCMZBLMK-KBXCAEBGSA-N 401.529 1.469 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CCO1 1299134121 OGRVMRDSYSUJPO-HNNXBMFYSA-N 420.420 1.397 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1299434471 FKUYMPWWKMITHO-QGZVFWFLSA-N 412.450 1.121 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1300486833 CDEXDKIGKNYJKA-MRXNPFEDSA-N 403.508 1.327 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1CCCN(C)S(=O)(=O)CC 1300570668 WGSMSBNFXZIWIF-UHFFFAOYSA-N 414.535 1.475 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H](C)N1CCCCC1 1300602443 RFLFTIFUQVXBBR-SJORKVTESA-N 410.588 1.612 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCC(=O)N(CC)CC)CC1 1300723468 UJKWMEWLWKUUKM-UHFFFAOYSA-N 414.554 1.770 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1300970650 ZKKKYXGSHYFEHU-RTWAWAEBSA-N 416.526 1.992 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1300982108 AQDFEZUSLREQGG-UHFFFAOYSA-N 406.508 1.781 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCC(=O)N1CCOCC1 1301309678 UVBYIBDQZFPOKE-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1)C1CC1 1301322709 LSWVVVOKKIDMPS-AEFFLSMTSA-N 402.543 1.885 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1301812001 CVPDIBNFNCVFBE-GOSISDBHSA-N 401.467 1.331 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCOc1ncccc1F 1302100236 XIKIIJCNCLZIPG-LSDHHAIUSA-N 420.445 1.344 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1302466864 UHMNSOHVAJBVKC-JWTNVVGKSA-N 415.519 1.459 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1303792813 QWQNGHYBRFNCBL-SLBVQIDZSA-N 411.424 1.186 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCOC(F)(F)F 1314391414 UWXGODZKFDAQGD-CQSZACIVSA-N 402.421 1.918 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(O)CCO[C@@H]1C 1315630535 AFGKZTCDMHIVMN-CEQIKUNHSA-N 413.478 1.146 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1358935947 XYDFOSAQMUCUGC-CBGDNZLLSA-N 401.511 1.591 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN1CC=CCC1)[C@H]1CCS(=O)(=O)C1 1358955136 FOGGREONDOPKJD-KRWDZBQOSA-N 405.568 1.464 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCc1noc(CC)n1 1358974432 DJYYQUICXRVYPV-UHFFFAOYSA-N 404.430 1.935 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1 1358978713 SKXDDDBSFXDHMQ-INIZCTEOSA-N 402.907 1.955 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CC12CCOCC2 1358984755 GFFVPOBQMMSBDV-DLBZAZTESA-N 419.551 1.168 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CC2(N3CCCC3)CCOCC2)CC1 1359035950 JFIGBDUCTKDTES-UHFFFAOYSA-N 414.598 1.877 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC1 1359038780 KLJGKQTVEYBJTN-FQEVSTJZSA-N 420.517 1.911 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](OC)C(C)C)CC1 1359044200 ZBVHJEWIQUKKPC-LJQANCHMSA-N 410.522 1.977 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1359142941 QYXLMJQVJLLLLU-CQSZACIVSA-N 423.905 1.341 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1359288934 KFFTZVFRTGKAPS-IBGZPJMESA-N 424.505 1.852 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2ncccc2C#N)CC1 1359292485 QFTGFZWXFOUYAB-INIZCTEOSA-N 408.510 1.687 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCC2(O)CCOCC2)C1 1359319766 FROJKJWVQCWDEU-ROUUACIJSA-N 406.527 1.885 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCC(N2CCCS2(=O)=O)CC1 1436704182 BDARXGPNKSOQMK-UHFFFAOYSA-N 412.309 1.961 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(N)=O)[C@H](c4ccccc4)C3)cc2C1=O 1436755078 SXOCVQPDNYRVJI-RBUKOAKNSA-N 403.438 1.810 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@H]1C[C@@H](N(C)C)C1 1452526122 XETPQUIBOOCEGE-UXLLHSPISA-N 406.552 1.740 30 10 HDEE CC(C)(NC(=O)CCC(=O)N1CCN(c2ncccn2)CC1)c1cccc(C#N)c1 1453325645 SNTYCRJRPQEJOM-UHFFFAOYSA-N 406.490 1.829 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1 1454937602 WNOWHNADKKWYAR-UHFFFAOYSA-N 415.471 1.694 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1455056489 OJAAKQVXPUIAFN-QVKFZJNVSA-N 424.494 1.590 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CNc3ccc(Cl)cc3)C2)C1=O 1456073558 FAEJBRJHDPKARA-CQSZACIVSA-N 418.881 1.967 30 10 HDEE C=CCN(C(=O)[C@H]1C[C@@H](NC(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 1456079695 BGPLAJPVIAMGTR-FGTMMUONSA-N 406.504 1.893 30 10 HDEE C[C@@H](c1ccccc1)N1C(=O)C(=O)N(CC#CCN2C(=O)c3ccccc3C2=O)C1=O 1458895264 ICKGTUOHQZAUFZ-HNNXBMFYSA-N 415.405 1.838 30 10 HDEE C=CCn1c(SCC(=O)NC2CCN(C(C)=O)CC2)nnc1-c1cnccn1 1458992221 GRMFKKBJHMZPKQ-UHFFFAOYSA-N 401.496 1.140 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1465206034 UDBFPICHFTUMNF-OAHLLOKOSA-N 407.492 1.736 30 10 HDEE O=C(Nc1cc(S(=O)(=O)N2CCCC2)ccc1O)c1cccc(C#CCO)c1 1466629011 NMFCUFDJIXKBRV-UHFFFAOYSA-N 400.456 1.773 30 10 HDEE CN1CCN(C2CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)CC1 1467632597 UCCYAEGWANWHQQ-PSCUFVCCSA-N 417.554 1.231 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2=O)cc1 1470033990 VDMHKEKYOYLRBW-LJQANCHMSA-N 424.505 1.106 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 1471832292 BXIPKPZQIQECNI-VLIAUNLRSA-N 420.872 1.460 30 10 HDEE COC(=O)[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C(=O)OC 1473879221 KKDNTJFJKCQRRL-GJZGRUSLSA-N 419.503 1.721 30 10 HDEE C[C@@H]1C[C@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C(=O)O1 1479203289 YIADVJALHHPYML-BZNIZROVSA-N 400.414 1.401 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC2([S@@](C)=O)CC2)n1 1492742590 FLONUNNLZXUBOY-MUUNZHRXSA-N 401.540 1.791 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1CCS(=O)(=O)CC1)[C@H]1CCOC1 1503412655 NUJWAQVKYDRFEJ-SFHVURJKSA-N 415.519 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCN1CC 1507523604 NNELLVGOQZPFEO-APWZRJJASA-N 405.510 1.863 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1507537954 JSUULFLHKBNCHV-PBHICJAKSA-N 415.519 1.645 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(OC)c1 1507572970 BGOVOXUGLHRRFD-OAHLLOKOSA-N 405.524 1.947 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(S(C)(=O)=O)cc1 1507590568 CPRUTIYXKORNHD-QGZVFWFLSA-N 415.519 1.683 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N(CC)CC)CC1 1507592841 UPPLYFIEDCBNJP-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)Cc1ccccc1 1507604651 GAMIGMFXZOJBDB-UHFFFAOYSA-N 417.473 1.653 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[S@](=O)CC 1507660524 AABJOSJXVIDJIS-WTYVLRPYSA-N 406.552 1.550 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1507751730 MKPAHLKHFCYIDS-GFCCVEGCSA-N 404.496 1.072 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1507755607 PIOURFHJYYBBCK-HNNXBMFYSA-N 410.590 1.920 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC(=O)N(C)[C@H](C)C1 1507800761 YBIZOUZDHVMEEX-VXNCWWDNSA-N 403.527 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1508072172 CHBSQHHNZGMXMV-HXUWFJFHSA-N 414.897 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1508076978 JGCCBHGEIHIKFS-AWEZNQCLSA-N 407.496 1.162 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[S@@](=O)C(C)(C)C)C1 1508130742 IMWSQPJSTOWIHF-HYDGNGQDSA-N 423.583 1.729 30 10 HDEE Cc1nnc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCNC(=O)C2)s1 1511737345 YEYZPWXDURATFN-UHFFFAOYSA-N 408.491 1.546 30 10 HDEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1514643375 FFXCVWYDBQJXSH-IBGZPJMESA-N 403.508 1.603 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1517149085 NOAMPKXZLRDOCJ-AWEZNQCLSA-N 412.475 1.725 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21)OC 1518724404 DKSQTNXZRYELMO-FHWLQOOXSA-N 424.505 1.726 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 1519096553 WRARADMCBLLOSI-SJORKVTESA-N 420.307 1.910 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(CO)c1 1519276873 KUKFHWKOMHREEV-QRWLVFNGSA-N 403.458 1.985 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cnc(Cl)cc1C#N 1519998007 WBJQFZCOPXLAOA-UHFFFAOYSA-N 409.855 1.218 30 10 HDEE N#C[C@]1(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CCCOC1 1525980902 XLNKXYKWYIFNKZ-OAHLLOKOSA-N 403.913 1.555 30 10 HDEE C#Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)cc1 1533825867 HEPSHCLSPSKSLY-UHFFFAOYSA-N 400.504 1.427 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CCOCC1 1538243866 JWAHSJWJUQYGBR-IAGOWNOFSA-N 420.531 1.787 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)cnc21 1538247616 LRSLYQWZFWYHFG-UHFFFAOYSA-N 401.430 1.672 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)Cc1cccc(F)c1 1538965014 ZLXHXYRENZFLHZ-HNNXBMFYSA-N 414.485 1.372 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(N(C)C)CCSC1 1538975933 FTOOAGOZVKLTCD-FFZOFVMBSA-N 407.584 1.825 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)NC2CC2)CC1 1539122227 RMHQRKYGFTYFLP-QGZVFWFLSA-N 408.543 1.659 30 10 HDEE C#CCCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539139468 IQBWSPRZIZHJAG-APWZRJJASA-N 409.490 1.994 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCC(F)(F)F 1539142140 KWUKUMBDAHKEKE-UHFFFAOYSA-N 422.411 1.968 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCC(=O)N(CC)CC)CC1 1539445934 KWRHYLUAZARQEZ-UHFFFAOYSA-N 410.526 1.139 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNC(=O)C(C)C)CC1 1539453231 GWDWHHMVQNESBN-UHFFFAOYSA-N 409.538 1.181 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1540035864 HZDAQIHUCJJWTL-FQEVSTJZSA-N 419.570 1.923 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1540179891 CTEVRYNYZSMTGJ-XXBNENTESA-N 424.549 1.531 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)OC(C)(C)C)CC2)nnc1C(C)(C)C 1540876353 OQTMCECIHJGVJH-UHFFFAOYSA-N 406.531 1.935 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)N(C)C 1541118626 DUJZXDXICBLFBT-AWEZNQCLSA-N 417.539 1.734 30 10 HDEE CCC(CC)(CNC(=O)OC(C)(C)C)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1542978358 ODULTAZKPLSAPF-FOCLMDBBSA-N 408.499 1.960 30 10 HDEE CNC(=O)C(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1554367611 ADJMBIYGWUQWES-OAQYLSRUSA-N 424.509 1.828 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)on2)CCO1 1554443144 FBDIPBOVQJUNGA-KRWDZBQOSA-N 407.434 1.113 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@H]2CO)CCO1 1555994663 YHSXROCNGQSGMP-ROUUACIJSA-N 411.510 1.306 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1c(C2CCC2)cnn1C 1557441580 OYRHABFSWXAFDG-CYBMUJFWSA-N 401.492 1.542 30 10 HDEE COC(=O)CCC1(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCCCC1 1558516338 RXTHRRPQFGPHOK-OAHLLOKOSA-N 421.519 1.997 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1558517890 QZECJUPMKYZJNQ-GOEBONIOSA-N 407.341 1.990 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3C#N)C2)ccn1 1561734556 CRMHUFSEJOOZIB-INIZCTEOSA-N 418.450 1.684 30 10 HDEE COc1cc(CNC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)ccc1C#N 1564714623 YVZXYZYGSKQJQW-QYZOEREBSA-N 414.506 1.908 30 10 HDEE C=CCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OCC 1569183818 DWLMOXHKEKEXEG-INIZCTEOSA-N 410.492 1.804 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)c2ncc(CC(=O)OCC)s2)c1 1570305530 WXJDENLGGLPGDR-UHFFFAOYSA-N 423.516 1.990 30 10 HDEE CC(C)(C)OC(=O)N1CC2CC1(CCC(=O)NCCN/C(O)=C1/N=CC=CC1=O)C2 1585296548 LFVJVVBTZHFXSR-ZCXUNETKSA-N 418.494 1.809 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(c3nnc(C)c(C)c3C(N)=O)CC2)cc1 1585461631 QJYORMXHXYPBPC-UHFFFAOYSA-N 409.490 1.648 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1587581273 ZDXGBJBRZNZSRO-XOBRGWDASA-N 415.519 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCC[C@H]1CC 1587641291 YWCGDEBGCVFCAH-RCCFBDPRSA-N 407.584 1.903 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCCS(=O)(=O)C1 1587958823 UVMFBIAVSBLGOU-CQSZACIVSA-N 402.476 1.568 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1588083704 ISDQDJZVHDWIHI-HNNXBMFYSA-N 419.482 1.179 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589053274 LQQVPOVYNXFVKP-HNNXBMFYSA-N 405.549 1.638 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccns1 1589195501 SLEMHRXDMPJROM-OAHLLOKOSA-N 406.533 1.955 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1595319156 BNKIFYLGOGGSFO-ACJLOTCBSA-N 409.487 1.311 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595595787 ZLYVNMZQLHSHPM-ZBFHGGJFSA-N 403.458 1.506 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(OC(C)C)CC1 1595607347 DWHPEGRIKRDDOQ-LPHOPBHVSA-N 421.542 1.698 30 10 HDEE C#CC1(O)CN(C(=O)[C@H](CC(=O)OCc2ccccc2)NC(=O)OC(C)(C)C)C1 1603216828 LPSJCOYIXWIETL-INIZCTEOSA-N 402.447 1.220 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1608060130 NBOAHESVYAGUPC-MSOLQXFVSA-N 418.542 1.136 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ccc(C(N)=O)cc1 1613987629 UYQJZAJHKTUADF-UHFFFAOYSA-N 403.446 1.523 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCS(=O)(=O)C3(CCCCC3)C2)c1 1616333138 XHTQDGRUQQACFR-UHFFFAOYSA-N 403.504 1.749 30 10 HDEE Cc1c(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cnn1CCC#N 1617952259 NYCRGZGPNLLIOD-CQSZACIVSA-N 408.462 1.941 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(C)C)CCO1 1618690268 NWPQXLWSHXSXRE-SFHVURJKSA-N 412.494 1.583 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1C(=O)OC)C(=O)OC 1622226282 MSUOECWJRXTETL-LLVKDONJSA-N 404.238 1.079 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)c1cc[nH]n1 1625095027 HSYBSFGLUYAFEL-YWZLYKJASA-N 418.425 1.115 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1631653430 DVJRMUUIQYVAJE-LJQANCHMSA-N 406.552 1.555 30 10 HDEE C=CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H](C)COC 1632749439 BZBYNXDAZUCNLI-CQSZACIVSA-N 402.538 1.361 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@@H](O)COc1cccc(C(F)(F)F)c1 1633522904 TXQPEXPBJOFHAU-CYBMUJFWSA-N 410.414 1.345 30 10 HDEE C=CCC1(O)CCN(C(=O)NC2CN(S(=O)(=O)c3ccc(OC)cc3)C2)CC1 1635074115 ISBXCGMHSYWKPI-UHFFFAOYSA-N 409.508 1.181 30 10 HDEE COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CO 1636609202 IZJHZEMWAPIJBK-QVKFZJNVSA-N 423.469 1.931 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC1 1638491615 GCAGZQGGYVKWNQ-LKLRLBKWSA-N 400.541 1.842 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)cc1 1638948038 GTLUHGXVIWJDPM-DOTOQJQBSA-N 404.492 1.535 30 10 HDEE CC(C)(CCNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)NC(=O)OC(C)(C)C 1639020817 FWFJPHVVCWRDRC-UHFFFAOYSA-N 424.523 1.646 30 10 HDEE CC1(C)[C@H](NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@H]1N1CCOCC1 1639631805 VZLZNYSIPMDGJB-RTBURBONSA-N 419.547 1.993 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCN2CCC[C@H]2C(N)=O)CC1 1640759792 NXZOQGBBTJJDQU-KRWDZBQOSA-N 406.527 1.093 30 10 HDEE COC(=O)[C@@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CC1 1640843734 SVRZWBDOHJALJI-WBVHZDCISA-N 412.446 1.469 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1641767933 MEEHEYYCUYVAKA-FQEVSTJZSA-N 410.515 1.130 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H](O)CC[C@H]3C)nnc12 1641820113 QDAOHZGCXJXOGX-KGLIPLIRSA-N 413.503 1.694 30 10 HDEE N#CCCN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)CC1 1642915688 HUQUBQOMYVFRKO-UHFFFAOYSA-N 410.565 1.523 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(Cc3cncc(C#N)c3)CC2)cc1 1645999378 AIGUSOGPACNNRO-UHFFFAOYSA-N 404.517 1.934 30 10 HDEE C#CCN(C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C1CCN(C)CC1 1646421095 LCNDTJFVRMIDCD-GOSISDBHSA-N 420.554 1.306 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)C[C@@H]1C(=O)OC 1648605057 KNZZRRQSRVGFDA-YTQUADARSA-N 415.490 1.833 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2O)C1 1653281626 VGCIHLBQRDTHEV-UHFFFAOYSA-N 406.847 1.667 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](c3ccccc3)C2)CC1 1654018976 GFGSZZGPWSBFQU-LEWJYISDSA-N 411.546 1.821 30 10 HDEE C=CCC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1657840071 HNWGHEFNPSYNHW-YQQAZPJKSA-N 411.524 1.933 30 10 HDEE C#CC1CCN(CC(=O)N(c2c(O)nc(=O)n(CCCC)c2N)C2CCCC2)CC1 1659142108 BABGSZBXXIDSIA-UHFFFAOYSA-N 415.538 1.952 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C2)CC1 1660133244 JCNGXLKNAHUTDS-MSOLQXFVSA-N 421.586 1.914 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OCC)ccc1Br 1662444786 XEBRIWICPBAWGY-LBPRGKRZSA-N 402.266 1.649 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1676624877 CDOBCIVBAHFQBW-UHFFFAOYSA-N 405.520 1.531 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](CC)c1cccc(S(N)(=O)=O)c1 1677133990 PIEFWMOIZYGGHU-MRXNPFEDSA-N 409.508 1.772 30 10 HDEE N#CCNC(=O)CNC(=O)NC[C@@](O)(c1cccc(C(F)(F)F)c1)C(F)(F)F 1686403159 PZBCYJGTQVWRMX-CYBMUJFWSA-N 412.290 1.394 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)CC 1689867662 VQTVBXKMGHVPOS-HRCADAONSA-N 418.542 1.985 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1CC 1689892567 IJFVLKZIGNUKHV-IAGOWNOFSA-N 409.556 1.793 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689923402 RIAZBAFCKYPNJW-UHFFFAOYSA-N 422.489 1.888 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)COCCO1 1689959823 OCNNGYJMZNEGTF-IBGZPJMESA-N 418.523 1.113 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nc2c(s1)C[C@@H](C)CC2)[C@@H]1CCS(=O)(=O)C1 1689982847 VTLCXVAFQQRQBC-DZGCQCFKSA-N 419.576 1.843 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1690075541 NMRCOJXKDCSTQE-KRWDZBQOSA-N 417.535 1.610 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Cl)c2)n1CCS(=O)(=O)NC 1690095366 OJDVLRFPMMARCT-UHFFFAOYSA-N 411.915 1.234 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(C)CCCO2)CC1 1690113454 KAIRWGHSOKUPAE-SFTDATJTSA-N 403.527 1.255 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(S(C)(=O)=O)CC1 1690170008 WCCHRJDPXOXXSI-UHFFFAOYSA-N 406.537 1.115 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(S(C)(=O)=O)CC1 1690244329 WGBONSGDMUFPBN-WBVHZDCISA-N 420.539 1.336 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1690354339 NKOGLLCGPIDKHS-WMLDXEAASA-N 410.950 1.556 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC1CC1)C1CCC1 1690671541 YJNXCYUYOWLFNL-OAHLLOKOSA-N 407.540 1.251 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1691008681 KUUBQTPDKRRZHF-ORAYPTAESA-N 415.523 1.344 30 10 HDEE COCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1698032444 CMOQBNFULKKJCT-KRWDZBQOSA-N 402.474 1.315 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C1CC1 1698168468 MLXPARIVQYKXJC-HUUCEWRRSA-N 412.498 1.714 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CCS(C)(=O)=O 1698247625 CMTZMLJNFXMAEI-RLFYNMQTSA-N 411.528 1.177 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705484174 KENPZKKMJGZUAZ-UGSOOPFHSA-N 408.911 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1COCCO1 1705485550 KUWAOQSANAPJOJ-QAPCUYQASA-N 408.466 1.184 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566855 RDGCXLSANNZYKF-WBVHZDCISA-N 421.567 1.477 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705569318 BJPGLTLFWYNKGP-QGZVFWFLSA-N 418.567 1.780 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1ccsc1 1705627907 RWRDOJJJSSFFEQ-HNAYVOBHSA-N 403.508 1.284 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC2(OC)CCCC2)CC1 1705632662 XWPFKACPKGRKFQ-UHFFFAOYSA-N 416.570 1.911 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN2CCCC[C@@H]2CC)CC1 1705638404 JZZVPZWLDPRXAY-IBGZPJMESA-N 408.554 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC2CC2)CC1 1705644266 KNJSOXCUXXNMCZ-UHFFFAOYSA-N 421.505 1.691 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCCNS(=O)(=O)CC 1705673703 JAKSYUGNFNMPBM-LJQANCHMSA-N 402.524 1.662 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCn1cccn1 1705736982 HQDRBHMUISIHSC-MRXNPFEDSA-N 408.528 1.106 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3OC)n2CCS(=O)(=O)NC)CC1 1705770056 OYUUFWKBZGSEBJ-UHFFFAOYSA-N 405.524 1.583 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1705848710 OGWZPMIKPBRONM-UHFFFAOYSA-N 406.450 1.504 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1705873836 WRXCLRRYTLVINM-SFHVURJKSA-N 406.490 1.742 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(OCC(N)=O)c2)C1 1705918133 DANDVMQCMFEQGJ-GOSISDBHSA-N 422.489 1.967 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1705937419 SQHWPZJGZJEQAL-KXBFYZLASA-N 410.540 1.216 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1705939294 VGNXHZGRORGVGO-OIISXLGYSA-N 410.540 1.734 30 10 HDEE C=CCSCCn1c(N2CCN(CC(=O)NC3CC3)CC2)nnc1C(C)(C)C 1705950022 PLKMGNDIJJQPRW-UHFFFAOYSA-N 406.600 1.895 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1706074914 GSEPSOUSVOTZJI-WBVHZDCISA-N 416.551 1.890 30 10 HDEE CC(C)NC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1706646078 GNBKJNARCWMNJG-UHFFFAOYSA-N 420.477 1.858 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccccc2OC)nnc1N(C)C[C@H](C)C#N 1710899393 ICGOKWSSTOIDKW-CQSZACIVSA-N 406.512 1.489 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1722335725 YBLPXUOXPGHPOO-LJQANCHMSA-N 408.506 1.505 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1cnc(C)s1)[C@H]1CCS(=O)(=O)C1 1722368759 SQLKEPLHAHFSEV-HNNXBMFYSA-N 405.549 1.986 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2ccccc2F)CC1 1722436367 FAIRDBZFJIRGPE-IBGZPJMESA-N 410.497 1.756 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1722457796 NUIFFRKAHGNEIM-MRXNPFEDSA-N 413.551 1.795 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1(O)CCOCC1 1722476113 YUUQVZNEIKJUFR-QFBILLFUSA-N 422.551 1.104 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1722523403 RRKKZXVREBLUGJ-MRXNPFEDSA-N 403.508 1.492 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1NC(=O)CC1(C)C 1723307985 MMIQGTABWFGILF-KRWDZBQOSA-N 423.521 1.926 30 10 HDEE CCOCc1nnc(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1Cc1ccc(C#N)o1 1728995063 FSUDEWIZFAQMGW-QAPCUYQASA-N 400.483 1.484 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCOC2)n1CCCNS(C)(=O)=O 1729409602 OUMSYFHNKVQKPE-QGZVFWFLSA-N 418.523 1.229 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCNC(=O)C2CCC2)CCO1 1731189542 MHTURRZCNXDPNA-IRXDYDNUSA-N 402.499 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1740544268 FJPVWYNXIKOZGN-HNNXBMFYSA-N 424.509 1.391 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1740559340 LYIKNSRVHXOEFT-MRUHUIDDSA-N 400.479 1.864 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740578969 IPOSEXYXRIWIRL-UHFFFAOYSA-N 415.542 1.558 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC[S@@](=O)C(C)(C)C 1740631320 AMDHAHPYGAQSQY-PIIWDFAUSA-N 406.552 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1Cc1nnn(C)n1 1740650937 TZQXKSLINWRYDK-UHFFFAOYSA-N 420.477 1.387 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1740709148 BCBWRQOMFWPZED-INIZCTEOSA-N 409.556 1.413 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1740710029 PCGWNLKMNHPTLH-UHFFFAOYSA-N 405.524 1.270 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1740729785 MBCHSTQMWNDAAO-NJNPRVFISA-N 414.554 1.578 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1740887311 FZHBZFZQXWPOBF-UTKZUKDTSA-N 416.526 1.860 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](C)CC[C@@H]1C 1740956011 FBPLHMSWLYNIRX-HOTGVXAUSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)Cc1c(C)nn(C)c1C 1740958300 MTTKNDMEGWYDCN-KRWDZBQOSA-N 401.515 1.809 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CCOC)[C@H](CCC)C2)nnc1C(C)(C)C 1740965001 KOZUPXNRUTVKKX-QGZVFWFLSA-N 406.575 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCc2ccccc2C1 1740990001 FXUSLBYWZSTAMK-UHFFFAOYSA-N 410.503 1.899 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)c1cccc(O)c1 1742835457 LARZVXMLULDUFI-SFHVURJKSA-N 409.494 1.289 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1748713659 CXBBQNVWUZPFFZ-ZWKOTPCHSA-N 420.521 1.962 30 10 HDEE C#CCCCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764053 GTVIACJEPCTMFC-WIYYLYMNSA-N 419.526 1.073 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 1748785280 QEEBBBKOYRFQJI-PMACEKPBSA-N 422.533 1.590 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1748809592 OCFRCASMINONAX-WMZOPIPTSA-N 401.536 1.522 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1748887166 WFSXYMKNVWWXFM-OALUTQOASA-N 407.522 1.697 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1748891044 YXOBUHCYEODEOZ-NHCUHLMSSA-N 412.582 1.519 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC(F)(F)F 1748965653 UPPLCENOHAGVGC-CYBMUJFWSA-N 424.445 1.193 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCC[C@H](CNC(C)=O)C1 1749040077 LUELOQOGIAHKCH-GOSISDBHSA-N 412.563 1.983 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCO[C@@H]1C 1749080869 WGVCSEZTJKPOTP-ZHOIUHGQSA-N 404.511 1.534 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1749229986 SDZWWXGQYOVPCA-RTBURBONSA-N 405.543 1.533 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749427184 MPZFMLQDNYFYRM-OLZOCXBDSA-N 408.446 1.914 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1749458050 VSHQKRXGZYKOCA-KURKYZTESA-N 424.567 1.921 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1)C1CC1 1749508582 USPVEHPLKUJIFP-ZDUSSCGKSA-N 418.523 1.190 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1749575660 VUFNAPIADGFCKC-SJORKVTESA-N 416.551 1.818 30 10 HDEE Cc1cc(F)ccc1CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1751431580 HXKCVNOWGYXIGH-SFHVURJKSA-N 412.469 1.820 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1760187366 VJUCYVDHPPOSSZ-QGZVFWFLSA-N 404.540 1.080 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CCOC 1760293920 IHAVPXHSPAWSNQ-RTWAWAEBSA-N 415.494 1.785 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1760341273 PDGINTUPQHAWLM-NRFANRHFSA-N 411.510 1.803 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760356407 MSQODSWTSIRZSY-IBGZPJMESA-N 416.570 1.881 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1760358551 WMDYKVUACJWSNI-QFBILLFUSA-N 407.540 1.903 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760524146 QGALMBMAXMDVOR-MRXNPFEDSA-N 413.478 1.492 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C)C1 1760551143 VAWGLNOJGDFVNI-CQSZACIVSA-N 421.479 1.679 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOCC1CCOCC1 1760692879 FDRLDNNVRWKMQP-WBVHZDCISA-N 404.515 1.658 30 10 HDEE C[C@@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1761433699 CLFQEZCEXWJCJT-SFHVURJKSA-N 424.549 1.994 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCn2cncn2)c1 1761728865 FZUWFWRCTFUJTR-KRWDZBQOSA-N 408.466 1.494 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1763128045 LCOHXXNGMFVUQB-NEIYXTIMSA-N 400.483 1.401 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1ccn(C)n1 1766408230 XQTXFCNAHBPVLX-UHFFFAOYSA-N 421.509 1.384 30 10 HDEE CN(CC1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1767250141 CKEUZDQELVMIDO-UHFFFAOYSA-N 418.523 1.229 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CC[C@](F)(C#N)C2)nnc1C(C)(C)C 1768432157 HQGMQPYEMSMPGL-KKSFZXQISA-N 419.549 1.960 30 10 HDEE CS(=O)(=O)NCCCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1770359015 PISSUYIXYOYLAD-KRWDZBQOSA-N 421.571 1.052 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCCS(=O)(=O)c2ccc(F)cc2)CC1 1848611507 KJQWQZOWUIZNPH-UHFFFAOYSA-N 416.478 1.995 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)CC1=O 1849302472 DLZIGIPENJWLLZ-KBPBESRZSA-N 423.311 1.891 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)c2ccc(N3CCOCC3)nn2)CC1 1850234015 GIODUODZBXIMNP-UHFFFAOYSA-N 407.478 1.226 30 10 HDEE N#C[C@H](COCS(=O)(=O)N1CCOCC1)Cc1ccc(Br)cc1 1850429272 DZNZOIXXMOHHJB-CQSZACIVSA-N 403.298 1.767 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc3nc[nH]c3n2)cc1 1853078274 YIZKKNZWYHIZGG-QGZVFWFLSA-N 407.430 1.766 30 10 HDEE COc1cccc(C#CCNC(=O)c2ccc(CN3CCS(=O)(=O)CC3)cc2)c1 1853313224 YEDFCHUBIMBERT-UHFFFAOYSA-N 412.511 1.707 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@@H]3CCN(C4CC4)C3=O)C3(CCCC3)C2=O)c1 1854134598 NSOPVGORZWUYOM-LJQANCHMSA-N 406.486 1.919 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)Cc2cn(C)c3ccccc23)C1=O 1854282270 FENDMZNQQHRJCC-PMACEKPBSA-N 408.502 1.567 30 10 HDEE Cc1ncccc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854843643 ZDMJRVYYCYHKHB-HXUWFJFHSA-N 403.486 1.821 30 10 HDEE CN(CC(=O)N1CCC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O)C(=O)OC(C)(C)C 1855022719 HAYLLPXVZOETCN-HZPDHXFCSA-N 404.511 1.997 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(Br)c3)C2)C(=O)C1 1855378116 PDCGAHACTXSWHA-CYBMUJFWSA-N 406.280 1.659 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccncc2F)CCN1S(=O)(=O)c1ccccc1C#N 1855735809 UDRNSLDNBILFQD-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C2)CC1 1855905774 GMEZTEOAVOYJOQ-ZWKOTPCHSA-N 400.523 1.778 30 10 HDEE Cc1cc2ccccc2n1CCC(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856091658 AEYWMQLAKZONNX-UHFFFAOYSA-N 416.503 1.643 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1856157211 YJSBSHCFGZYPAG-QZTJIDSGSA-N 400.523 1.778 30 10 HDEE COc1ccc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)cc1 1856381941 XOGYLQXHIOSJMA-HNNXBMFYSA-N 406.442 1.714 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)C1 1856626505 QTNDCHQPSWZKCU-MRXNPFEDSA-N 420.510 1.520 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)CCc3ccccc3)C2)CC1=O 1856819530 NWQPEBIFDHRRHH-LJQANCHMSA-N 419.547 1.270 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)C4CC(=O)C4)C3)CC2)c1 1857003551 ZWUQYAHPQMFETE-KRWDZBQOSA-N 410.474 1.398 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)CCc2ccccc2)C1=O 1857144790 WKNPHKIHUFKZHV-IBGZPJMESA-N 404.474 1.229 30 10 HDEE N#Cc1cccnc1OCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCCO3)C2)CC1 1857249186 KNKQGEIXSUVVAB-MJGOQNOKSA-N 412.490 1.598 30 10 HDEE C=CCN=c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c[nH]1 1858423282 WKNIUNKPENMMDX-UHFFFAOYSA-N 402.476 1.375 30 10 HDEE C[C@@H](NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1)C(=O)N1CCC(O)CC1 1868783934 UOWBFEKTZFJANL-PBHICJAKSA-N 404.536 1.513 30 10 HDEE COCCOCC(=O)Nc1c(C#N)nnn1Cc1cc(Cl)cc2c1OCOC2 1870113083 MYNLWPCUDCMCOV-UHFFFAOYSA-N 407.814 1.319 30 10 HDEE C=CCN=c1nc(N(CC)CCCC)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871631881 ICEUZNTUAMLFKU-UHFFFAOYSA-N 409.494 1.909 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc(OC)cc1OC 1872636961 AOETXFBMRORALQ-UHFFFAOYSA-N 416.434 1.847 30 10 HDEE CCCCCCCCN1C[C@H](C(=O)N2C[C@@H](C)NC(=O)[C@@H]2CC(=O)OCC)CC1=O 1872999267 CWVMYQHKWAETQH-KURKYZTESA-N 423.554 1.864 30 10 HDEE C#CC(CO)(CO)NC(=O)[C@H](CC)NC(=O)OCC1c2ccccc2-c2ccccc21 1888787634 JDDUSWYLENWXLS-NRFANRHFSA-N 422.481 1.777 30 10 HDEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3ccnc(C#N)c3)CC2)cc1 1890759017 YDBZSTOSAIUOAK-UHFFFAOYSA-N 418.461 1.286 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 1900425734 FIWJOZOLGXCYSW-RYUDHWBXSA-N 406.292 1.115 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)C3CS(=O)(=O)C3)ccc2Cl)OC1(C)C 1917921851 KDMHSXZOAPQZJR-UHFFFAOYSA-N 421.733 1.178 30 10 HDEE CO[C@@H]1C[C@@H](CNS(=O)(=O)N2CCC(C#N)CC2)N(C(=O)OC(C)(C)C)C1 2174785635 BCHWESWZIIQPRC-LSDHHAIUSA-N 402.517 1.081 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 2180133997 XKSYVVGGSRRDRN-ARFHVFGLSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NCC1(S(N)(=O)=O)CCC1 2181111228 ROXVQHIEHMJMHT-ZDUSSCGKSA-N 402.517 1.291 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247826682 YGDAOZDTYPLLGH-JOCQHMNTSA-N 420.319 1.742 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(Cc1ccccc1)[C@@H]1CCOC1 2247857309 UDQPUCYIDCOHRP-MRXNPFEDSA-N 412.299 1.546 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)CO1 2247906718 PGDLUDSXVRQFCP-ZDUSSCGKSA-N 419.287 1.662 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2248403196 CBHRPEGCDBBMEZ-UHFFFAOYSA-N 423.319 1.417 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCc3nncs3)s2)OC1(C)C 2267717197 YZIMAHLVODHOQA-UHFFFAOYSA-N 401.344 1.420 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2267720069 HXLFLRYLBAMJSI-XMMPIXPASA-N 405.372 1.237 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3[C@H]4CS(=O)(=O)C[C@H]43)c2Cl)OC1(C)C 2281936587 ORWWWTPWIZFJRB-BZBKMWRSSA-N 417.745 1.474 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@]2(=O)CC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320380 HRIYDUZJBLCMJE-JPQMIFPKSA-N 420.387 1.243 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCC1 2282336858 CFMASCUTMWMKQU-VWLOTQADSA-N 419.399 1.627 30 10 HDEE C=C(CS(=O)(=O)NCc1sccc1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282493975 YQGCVYVMSMHWBS-UHFFFAOYSA-N 421.371 1.759 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@]2(C)CN)OC1(C)C 2282497438 PVUQRWPRPKETTD-QGZVFWFLSA-N 400.375 1.690 30 10 HDEE C=C(CS(=O)(=O)N=[S@]1(=O)CC[C@@]2(CCCN2)C1)B1OC(C)(C)C(C)(C)O1 2282501973 DXEIOPDEXBMKTE-LMKMVOKYSA-N 404.363 1.498 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CO)C(F)(F)F)OC1(C)C 2282506587 USXVFPUJRSIFFN-JTQLQIEISA-N 415.264 1.390 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)CN1 2282512682 VAGCQLCDQOKDRF-WCQYABFASA-N 400.737 1.668 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCS(N)(=O)=O)c1C 2282574867 VHEFDPUYMSAARP-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@]3(C)CCNC3)c(Cl)c2)OC1(C)C 2282830158 PPZBJMSKJMUVEG-KRWDZBQOSA-N 400.737 1.670 30 10 HDEE C[C@@H]1C[C@H](N)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833392 HRYDXBWQHIWMCO-VXGBXAGGSA-N 401.363 1.084 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1([S@@](C)=O)CC1 2282834785 NDGIQBMVVFWGON-RUZDIDTESA-N 419.399 1.545 30 10 HDEE CN([C@H]1CCCC[C@@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848224 KUQMYYHILTVFOV-STQMWFEESA-N 401.359 1.971 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1CCSC1 2282852570 QQMSFTAPLLJEHS-LBPRGKRZSA-N 401.363 1.141 30 10 HDEE CC(C)[C@@H]1COC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854750 VONXLNZHFZDKGN-JSGCOSHPSA-N 401.359 1.997 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H]2CC(=O)O)OC1(C)C 2284394419 YBCLEEJSHZLFNC-GFCCVEGCSA-N 401.315 1.426 30 10 HDEE CC[C@@H](CC(=O)O)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284414740 JLBVRMYAVZJPAJ-LBPRGKRZSA-N 403.331 1.720 30 10 HDEE COc1ccc(NC(=O)[C@H](Oc2cccnc2N)C(=O)C=CC(=O)O)c(OC)c1 2318692429 IDYVWXWYOSPIFM-QGZVFWFLSA-N 401.375 1.277 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CC2)OC(C)(C)C1 2367802478 BISNAAIGVHQSLW-QLFBSQMISA-N 400.541 1.745 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CC2)[C@H](C(F)(F)F)C1 2367804190 QMRSJESZXGFPGE-UPJWGTAASA-N 411.442 1.973 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815509 LYFZJKKSIVDOHH-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(CCNC(=O)OC(C)(C)C)C1 2367829840 DEOCHBUWHAEHBA-HVEKOLDVSA-N 400.541 1.211 30 10 HDEE Cc1scc(C(=O)N[C@H](C)[C@@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2369536971 WOEHKGAGZKRJEQ-ZYHUDNBSSA-N 401.359 1.907 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H]2CNC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2369654672 OMEGTARGXQOHTJ-NWDGAFQWSA-N 404.338 1.286 30 10 HDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)Nc1nccs1 20292366 JCCMDEUVIYBJLL-UBKPWBPPSA-N 406.453 1.036 30 10 HDEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2ccccc2c1=O 23349581 PTBIZJKXVWKKDO-CYBMUJFWSA-N 400.504 1.800 30 10 HDEE C=CCn1c(S[C@H](C)C(=O)N(C)CC(=O)NC2CC2)nc2sccc2c1=O 42183898 MSVFFJFEPWEBFE-LLVKDONJSA-N 406.533 1.862 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](NS(C)(=O)=O)C2)c1=S 97506667 AYWXRWNWHVWQGC-OAHLLOKOSA-N 408.553 1.633 30 10 HDEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccnc2)cc1 103128692 YMNWTBBVVPZAPX-LAFOYAEKSA-N 412.442 1.911 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2c([N+](=O)[O-])ccc3c2CCN3)CC1 302848064 OQXDZVOAZMUHND-UHFFFAOYSA-N 413.459 1.945 30 10 HDEE C[C@@H](C(=O)NCc1nc(-c2ccc(Br)cc2)n[nH]1)n1cnc(C#N)n1 409648347 QXYFLQUJFQYILW-VIFPVBQESA-N 401.228 1.575 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2CCO)CC1 430304593 OGTXOLAWWPPILD-NVXWUHKLSA-N 406.508 1.125 30 10 HDEE C=CCC[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 435107228 SPAUCXZDSFDBSN-LJQANCHMSA-N 422.551 1.598 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C3CCOCC3)C2=O)cc1C(F)(F)F 435173041 IAURYFACADJZBX-HNNXBMFYSA-N 417.409 1.635 30 10 HDEE COCCN(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 447206537 AGROIGJDKHSFBA-QSOKESPWSA-N 405.520 1.889 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C)Cc1ccccc1F 460610190 FRNSRUYEZUVZJC-CQSZACIVSA-N 406.421 2.272 30 10 HDEE COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460785726 VQOUNZAGTINCSI-UHFFFAOYSA-N 412.431 1.907 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)Cc2nnnn2C)n(Cc2ccc(F)cc2)c1C 466478851 LBKQQBNBOGOVEP-UHFFFAOYSA-N 410.457 1.758 30 10 HDEE COc1cccc2c1nc(NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)n2C 474797594 GCZZVBJXHKWVSD-UHFFFAOYSA-N 413.459 1.945 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)cc1C#N 476466699 YMWDMOLTYMDTBG-AWEZNQCLSA-N 412.519 1.716 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC(C)(C)O[C@@]2(CCOC2)C1 485050921 IXWRTGSUIZHHEO-NRFANRHFSA-N 417.462 1.318 30 10 HDEE CC1(C)[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@@H]2CCO[C@H]21 525491737 YIZLPOMXCPAMFW-CGTJXYLNSA-N 418.519 1.388 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)[C@@H]2C1 535875328 HSJRPVRLBJNHAR-UWIFEVILSA-N 407.492 1.020 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc3c(c2)CCC(=O)N3CCC)CC1 536922079 UCDYWTYMTMCYSK-UHFFFAOYSA-N 413.522 1.828 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 540967306 YRSTUXDQLOOZIN-UHFFFAOYSA-N 409.494 1.742 30 10 HDEE CSc1nc(O)c(C(=O)Nc2cccc3c2CCN3S(C)(=O)=O)cc1C#N 542679644 ZJSUWKIHBGYXLL-UHFFFAOYSA-N 404.473 1.955 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)cc1 543964559 ZSXTVBCBBSALEW-KRWDZBQOSA-N 410.478 1.649 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 546100400 YIABENCDQHDCNN-UHFFFAOYSA-N 423.477 1.380 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 549278055 QBDREJZJKAFQEB-CHWSQXEVSA-N 412.541 1.499 30 10 HDEE Cc1cc(CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)on1 554305422 JIHKZNKYJFEZKG-UHFFFAOYSA-N 403.464 1.113 30 10 HDEE C=C(C)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N2CCOCC2)CC1 555238082 BUFIEFJYLLXYPW-UHFFFAOYSA-N 404.559 1.424 30 10 HDEE COCC[C@H](COC)NC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 576752695 CEUUNVIAOYFJHP-CQSZACIVSA-N 403.439 1.689 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)CC1 584562036 NOBFWIWOTVKINC-UHFFFAOYSA-N 413.425 1.842 30 10 HDEE N#Cc1nccnc1OC1CCC(NC(=O)Cn2cnc3ccccc3c2=O)CC1 585355440 DAIZAUXFJHTACF-UHFFFAOYSA-N 404.430 1.565 30 10 HDEE COc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1F 585692530 MWWOTHJRMMOGFC-CQSZACIVSA-N 411.437 1.627 30 10 HDEE Cc1cc(Br)cc(C)c1CNC(=O)C(=O)NC1CCN(CC#N)CC1 586846036 OJLIKQATEJRVLP-UHFFFAOYSA-N 407.312 1.786 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1OC 610082523 ZYHRNYKUHGCGSD-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE C=CCn1c(CCOc2ccccc2)nnc1N1CCC[C@@H](NS(C)(=O)=O)C1 669809913 IIHJZBLELNHMRE-MRXNPFEDSA-N 405.524 1.604 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@@H]3CCOC3)c2=O)c1 676727009 MRFBKNDTAFYDMS-INIZCTEOSA-N 424.522 1.827 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 728874783 UQXANUIOIVRHIQ-UHFFFAOYSA-N 410.496 1.146 30 10 HDEE C#CCN(C(=O)c1cccc(CSc2nccn2C)c1)[C@H]1CCS(=O)(=O)C1 729335361 MLOMUXRITSQOFE-KRWDZBQOSA-N 403.529 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O 732454635 HZUHJTFQPQBYTE-UPTRSRDDSA-N 421.498 1.602 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 732650337 NMVWXBIAISUSGT-QGZVFWFLSA-N 418.519 1.292 30 10 HDEE N#C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CCN1C1CC1 732664039 BDBQVCYNAXCUSX-AWEZNQCLSA-N 416.425 1.182 30 10 HDEE N#C[C@@H]1CN(Cn2nc(-c3ccco3)n(CCC(N)=O)c2=S)CCN1C1CC1 732672614 KXQBXFQZJHTSGT-CQSZACIVSA-N 401.496 1.179 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 733676287 UYGZPKIBKQKLLU-INIZCTEOSA-N 413.521 1.099 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)c1 739523289 WPNUJEKJAOJJDG-NPXGJPSDSA-N 419.503 1.680 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 741210811 AXDMJMCLKKQYFQ-HOTGVXAUSA-N 409.408 1.582 30 10 HDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)c1 748063822 YEBUBFAWZNKFRZ-UHFFFAOYSA-N 422.485 1.952 30 10 HDEE C[C@H]1Cc2cc(C(=O)COC(=O)c3cc(C#N)cn3C)ccc2N1S(C)(=O)=O 751733478 FCHNUMKSXLJIKO-LBPRGKRZSA-N 401.444 1.647 30 10 HDEE CN(c1c(C#N)c(=O)n(C)c(=O)n1C)C1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 751925134 PONOKGAHHKJZBS-PBWFPOADSA-N 403.483 1.322 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br 752333386 YXFZSHKSNBHUKB-UHFFFAOYSA-N 409.305 1.942 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@H](OCCCc2ccccc2)C1 752961826 CKMNICSXAPPOHK-OQLSDQBISA-N 412.490 1.946 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](OCCN3CCCCC3)C2)cc1 759621639 NGCOLULKQYYLMN-LJQANCHMSA-N 419.547 1.315 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nc4cnccc4[nH]3)CC2)cc1 760710714 WCFXDLPFLPIWJE-UHFFFAOYSA-N 410.459 1.869 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)/C=C/C(=O)Nc3ccc4n[nH]cc4c3)CC2)n1 761035414 BUVRUGNHXWGSTK-VOTSOKGWSA-N 401.430 1.673 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)C(C)(C)Oc2ccc(C#N)cc2)C1 767636081 KRHGYFOCZIKWIF-LJQANCHMSA-N 417.506 1.732 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)cc1C#N 768199294 LSNILNQVSRGLNB-UHFFFAOYSA-N 408.414 1.715 30 10 HDEE C[C@H](CC(=O)NCCC[C@@H]1CCCC[C@H]1O)/N=C1/NS(=O)(=O)c2ccccc21 771061967 BOQQWYMVQQFSRU-HLLBOEOZSA-N 407.536 1.951 30 10 HDEE N#CC1(c2ccc(C(=O)OCC(=O)NCc3ccc(OCC(N)=O)cc3)cc2)CC1 777178563 ZDEKCHSBXHXZCI-UHFFFAOYSA-N 407.426 1.579 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1 781444623 MUVPNFFRYGEHMJ-UHFFFAOYSA-N 420.512 1.929 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)N2CCC[C@H]2CS(N)(=O)=O)ccc1OC 785872724 LRPKGRHZOWNKNP-LSDHHAIUSA-N 410.496 1.339 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2(S(=O)(=O)c3ccccc3)CC2)n1 790105179 RKJZOIWQSVDMCL-UHFFFAOYSA-N 401.488 1.498 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)n1 790107882 OIALZRZTUSRYRG-IRLDBZIGSA-N 424.501 1.720 30 10 HDEE COC(=O)[C@@H]1CCCC(=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)C1 794879191 HRYWFFHBOICNSC-CQSZACIVSA-N 409.512 1.149 30 10 HDEE CC(C)n1cc(C(=O)[C@@H](C#N)C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nn1 796766645 XHLXZHNSWKNHOV-MRXNPFEDSA-N 411.422 1.438 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 797814779 JDJBDHITVREFSN-MHBXNMGHSA-N 417.579 1.791 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 798329123 LXRWFGSNQJGSDT-UHFFFAOYSA-N 402.451 1.744 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cc(F)cc(F)c2)c1 800764191 BTGPDCUGUVKYLZ-UHFFFAOYSA-N 409.370 1.297 30 10 HDEE C#CC[C@]1(C(=O)N2CCN(Cc3nccn3C)CC2)CCCN1C(=O)OC(C)(C)C 809669083 YUHDWFPHDNJWGU-JOCHJYFZSA-N 415.538 1.857 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3cn(CCO)nc3C3CCOCC3)CC2)cc1 856582918 QDMNHPWZRLQOHW-UHFFFAOYSA-N 423.517 1.599 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1ccccc1C#N 886147947 FRHHZFKOSFYZTH-UHFFFAOYSA-N 422.507 1.258 30 10 HDEE CC(=O)N1CCN(C(=O)[C@H](OC(=O)[C@@H](C)Oc2ccccc2C#N)C(C)C)CC1 914678712 KRYZKPVLEINPRM-DNVCBOLYSA-N 401.463 1.584 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)nn1 1124255757 IOEXVMGPMBOVAQ-ZIAGYGMSSA-N 405.480 1.514 30 10 HDEE CC(=O)N[C@H](CC(C)C)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1125188309 BKMLIGXUBDAUKY-RTAFMGCNSA-N 408.524 1.989 30 10 HDEE C[C@@]1(C(=O)NCCNc2ncccc2C#N)C[C@@H](O)CN1C(=O)OCc1ccccc1 1136424021 GXBJXKUPAJVUNY-GCJKJVERSA-N 423.473 1.643 30 10 HDEE CO[C@@](C)(CO)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1144183871 XANSNYKMZXGMKD-DYESRHJHSA-N 403.479 1.906 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(=O)N(C)c3ccccc3C2)ccc1F 1147754769 JVXIVZZLTYUPLP-UHFFFAOYSA-N 417.462 1.909 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 1148751636 UHOZIKGQSCZAIT-INIZCTEOSA-N 401.444 1.585 30 10 HDEE C#CCN(CC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1)C(=O)OC(C)(C)C 1153451505 MIMQKVCAMOSYEF-UHFFFAOYSA-N 406.527 1.189 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1157529609 BJOYUTOUBSSQEE-WOJBJXKFSA-N 417.473 1.746 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(=O)OC 1161364983 MGURSRCDHNWOSU-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)Cc1ccc(Br)cc1C#N 1167216546 YLEQTGOATYSYPS-LJQANCHMSA-N 422.323 1.595 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC(=O)N3CCOc4ccccc43)CC2=O)cc1 1177823886 YDMXPNJUHKRLIY-INIZCTEOSA-N 404.426 1.453 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1213276223 KXJKMAWPTULVJP-HNNXBMFYSA-N 400.522 1.178 30 10 HDEE CN(C)CCCN(C)CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226112536 QMRACZQJKAIRNA-LJQANCHMSA-N 400.527 1.236 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)C2=O)cc1 1227631647 HVMLYYDMTSHQRB-SQNIBIBYSA-N 416.503 1.020 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 1233927763 JKPGBQUCEFBUNF-CQSZACIVSA-N 402.455 1.249 30 10 HDEE C=CCNC(=O)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1255300064 KEYMCZRADSBLND-HNNXBMFYSA-N 410.515 1.394 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1286321483 PQEOFHTYWPZDSE-SFHVURJKSA-N 409.494 1.366 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H]1COCCO1 1286358494 HYVUJLYZUNIUGL-INIZCTEOSA-N 403.870 1.346 30 10 HDEE C#CCN(c1nnc(COCC)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1286397588 SYMCLPSJVSWNNZ-CQSZACIVSA-N 400.570 1.583 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1286578370 HRWDDTGBHHKOSM-ROUUACIJSA-N 404.559 1.988 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@@H]1C 1286711934 RITWSBJRHRPLNM-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCN(C(C)=O)CC1 1286730977 VNOPMCXWRSLYKD-UHFFFAOYSA-N 412.538 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(CC)C(C)C 1286814667 VNEKSDQQCWPLPM-UHFFFAOYSA-N 406.512 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](n2cncn2)C1 1286818823 PMQAASDEXNGKJG-OAHLLOKOSA-N 416.511 1.307 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CCn1cc([C@@H]2CCOC2)cn1 1286965223 ICIZMZTXEBQRJC-JKSUJKDBSA-N 407.482 1.732 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1291597665 UJXJOYGRGVHDLX-WDSOQIARSA-N 408.520 1.741 30 10 HDEE CCN1CCN([C@H](C)CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1292987477 RFMXHHPXKNEQTC-GOSISDBHSA-N 406.571 1.779 30 10 HDEE CCOC1CC(Cn2c(C)nnc2N2CCC(CC#N)CC2)(N2CCOCC2)C1 1296917681 GAKFONCRUWYXBG-UHFFFAOYSA-N 402.543 1.987 30 10 HDEE COCCO[C@H]1C[C@H](CO)CN(C(=O)Cc2ccc(Br)cc2C#N)C1 1297260280 LQFPKHUHCDYQKU-GUYCJALGSA-N 411.296 1.736 30 10 HDEE CC[S@](=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297817384 NRBSENAHUNUEON-MUWSIPGASA-N 416.507 1.086 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC2(O)CCC2)CC1=O 1298891792 BMSXPAICAUGZTE-UHFFFAOYSA-N 410.478 1.312 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(CC(C)C)CCO1 1300268091 MVQGUWSUWZFETI-ZWKOTPCHSA-N 402.543 1.329 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1300316665 BEBWUNMJWGZPQY-CQSZACIVSA-N 400.508 1.357 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCCN1CCOCC1 1300466342 WMTYFGYCEZKZBS-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300493508 VUHPXNNHEQVCHO-JXFKEZNVSA-N 417.535 1.436 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[S@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1300495420 HIDJDCKWIJBODJ-PVPMGCCUSA-N 414.597 1.262 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1OC 1300663388 ABDWCXDZWMYMEE-KRWDZBQOSA-N 413.478 1.381 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOCC)CCC2)CC1 1300681425 OXVWDJTWDPWDTL-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H](C)CN2CCN(CC)CC2)CC1 1300703702 PVWHSTKAMOHLOL-HXUWFJFHSA-N 413.614 1.259 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCC2(O)CCC2)CC1 1300706475 NPRSKQFQODKDMM-UHFFFAOYSA-N 409.534 1.960 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CCOCC)CC1 1300754383 OIZNWDGXIURDHZ-UHFFFAOYSA-N 400.552 1.865 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1300870176 QWBUVBZNYZEREP-CTNGQTDRSA-N 416.570 1.702 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(N)=O)CC2)nnc1[C@]1(OCC)CCOC1 1301001298 GXOUSAQKYBOKKX-FQEVSTJZSA-N 407.515 1.225 30 10 HDEE C=CCCOCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1301259400 LCLMSTVAJHOABV-UZLBHIALSA-N 407.515 1.190 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)NCC2CC2)C1 1301567413 WWDYVHCYAWZYMB-QGZVFWFLSA-N 416.551 1.941 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc([C@@H](C)O)cc1 1302095628 FNHRWXSVORYUCB-GPMSIDNRSA-N 415.494 1.832 30 10 HDEE C[C@H]1CN(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)C[C@@H](C)O1 1305111330 BJDIARHCLULWMI-NCOADZHNSA-N 417.558 1.855 30 10 HDEE CC[C@@H]1CCCN1c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1306351340 LFSOVHRZULQEDL-DXNFXHBHSA-N 400.483 1.687 30 10 HDEE C=CCOCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1309688753 LXKKFTSCEGGTEJ-UHFFFAOYSA-N 402.538 1.732 30 10 HDEE COc1ncc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1C#N 1311195964 BGTCLWICMAKGEZ-SFHVURJKSA-N 409.446 1.553 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)cc1 1312852541 QLOOSNZWOWGEBP-UHFFFAOYSA-N 411.466 1.282 30 10 HDEE CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2C#N)CC1)C(=O)N1CCOCC1 1312913418 UKZXHVVDZAYVKP-IBGZPJMESA-N 413.522 1.663 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)C2)n1 1313364816 YCXIPPQCJYMYSP-KFWWJZLASA-N 410.482 1.850 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)cc1 1315537073 JNLJOQWPAMUBSI-RTBURBONSA-N 411.462 1.940 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1358936293 JUXJTVFWWKINSS-VGSWGCGISA-N 415.538 1.839 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1358939727 DHOGKPZAJDNZLZ-APWZRJJASA-N 410.540 1.355 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1358994126 FVRMZADFKFKMTO-MRXNPFEDSA-N 417.922 1.740 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCc2ccccc21 1359018608 WPOQUNUDYXIWPJ-JOCHJYFZSA-N 411.506 1.336 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2[C@@H]2C[C@H]2CF)CC1 1359038090 KKKDNBLAKFNPLG-LSDHHAIUSA-N 402.499 1.555 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2cc(F)cc(F)c2C1 1359300809 KMPRYZRJCNMIPJ-AWEZNQCLSA-N 403.433 1.925 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1359304808 KGYLZLAPHVPFHC-FUHWJXTLSA-N 402.543 1.570 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)CC1 1359386865 PTBMUWOSIJSILD-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3cccc(Br)c3)cc2S1(=O)=O 1435750145 PZKLNTNACTWYBS-ZDUSSCGKSA-N 424.280 1.274 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc(OC(F)(F)F)c1 1440138135 BJQOTDVOUXYXHW-UHFFFAOYSA-N 413.377 1.940 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CCS(=O)(=O)C2)C1 1441046449 CKHPMLXWSBXROK-NSHDSACASA-N 412.309 1.308 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)c1 1443772330 JUQGYXVSNVWSDA-AWEZNQCLSA-N 402.394 1.377 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CCO)c1ccccc1F 1452181959 CXWDTGLQODPNJS-UGSOOPFHSA-N 405.451 1.604 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@@H]2C[C@H]2CCOC2)cc1S(=O)(=O)NCC#N 1456503116 DGCWWWCKHNLRCL-WBVHZDCISA-N 407.492 1.065 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2ncccc2Br)c1 1458036453 FVUFYONQFAGNGX-UHFFFAOYSA-N 409.265 1.310 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCCO)cc2)cc1 1466571000 LGYXBWMSVTZCKV-UHFFFAOYSA-N 415.471 1.738 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 1469873522 BKHAKHKGFHTOKU-IBGZPJMESA-N 401.488 1.543 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1C)C1CCOCC1 1470311630 HHNOWOZFISLKLR-HXUWFJFHSA-N 421.563 1.383 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1 1470354626 XSRPJKQVOYBFKN-UHFFFAOYSA-N 412.943 1.311 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCc3nc([C@@H]4CCCO4)n[nH]3)CC2)cc1 1470637090 DCGVZNABSRIFCV-SFHVURJKSA-N 409.494 1.945 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](CO)[C@H](C(F)(F)F)C1 1470937777 ZDOCMIZRKULKCO-WCQYABFASA-N 419.425 1.135 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C(=O)OCC)[C@H](O)c3cccnc3)cc2C1=O 1471076525 TYZKDUQDUKZQLR-QZTJIDSGSA-N 423.425 1.259 30 10 HDEE C#C[C@@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)(C)C 1471320580 QXZFBKIQAQMGBF-LSDHHAIUSA-N 415.556 1.758 30 10 HDEE CN1C[C@@H](CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1471913577 WKRSGOFTYBSUBX-SDMXJPDVSA-N 404.511 1.758 30 10 HDEE C#C[C@@H](NC(=O)NC1CCC2(CC1)NC(=O)NC2=O)c1ccc(Br)cc1 1478607072 IZTPDXOWSLBWSE-TXKKKEFDSA-N 419.279 1.943 30 10 HDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](C)OC)CC1 1503767574 DOWOBQJBCDDBCF-HNNXBMFYSA-N 412.494 1.726 30 10 HDEE CNC(=O)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1503786317 GSRDZVHFCXOXJS-INIZCTEOSA-N 411.466 1.095 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1507549150 YJCJGLODTOHWIP-KZNAEPCWSA-N 402.543 1.530 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507698236 RMURGGZSTNZSMB-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(C)c(OC)c1 1507712700 MNWQAKWHHJEOAQ-GOSISDBHSA-N 411.506 1.875 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1CSC 1507747912 YWXYVEJSZYZBBJ-KGLIPLIRSA-N 417.626 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](C(=O)NC)C1 1507798308 HAQUYGRNOXWEHJ-RYRKJORJSA-N 413.526 1.622 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1507962330 QOHMIQDXTGPAPL-PMPSAXMXSA-N 402.499 1.069 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)c2ccco2)CC1 1508075386 QHNJJIYUITXKKI-HNNXBMFYSA-N 400.483 1.649 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC2(S(C)(=O)=O)CC2)C1 1508125017 GVAKTDWKVTZKOV-KRWDZBQOSA-N 417.535 1.622 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1508160495 USZZKAUFJSTKJB-GJZGRUSLSA-N 402.528 1.581 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1508663676 KEVSARLBVOEXNG-JKSUJKDBSA-N 420.514 1.816 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@]2(O)CCO[C@H]2C)CCOC1 1509805026 KLRRAQNYCKVGQB-KCUHQSDYSA-N 423.489 1.301 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1517240273 DQUXZNDSFPJBRL-SFHVURJKSA-N 424.505 1.728 30 10 HDEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1519068641 SFCJSDSQJALBTQ-CQSZACIVSA-N 405.528 1.871 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnc2n1CCC2 1519409857 QJSWTUYAMIUKFM-ZQIUZPCESA-N 400.487 1.184 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1 1536901112 RADXKEYCAKYFAF-LZWOXQAQSA-N 404.463 1.773 30 10 HDEE Cc1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1F 1537006672 WFEFKXDBPRZTRR-IFXJQAMLSA-N 418.450 1.514 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1538991632 BMSIIBZSSONXDH-IEZWGBDMSA-N 422.493 1.430 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CC1 1539399723 RCBWRGCBHXQGDG-UHFFFAOYSA-N 418.519 1.617 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539434307 HUKFMSSCBSBHDL-JOCHJYFZSA-N 408.506 1.187 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1539517520 PGGXEGTZNIEYRZ-JXFKEZNVSA-N 416.551 1.634 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCS(=O)CC1 1539526694 RWRBDJPAYVHULN-UHFFFAOYSA-N 404.561 1.835 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(S(=O)(=O)CC)CC1 1539533557 RTFFYKATIUKYCZ-MRXNPFEDSA-N 412.581 1.900 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1539623036 ZHPUDMLFVSGYDX-KURKYZTESA-N 409.556 1.572 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N(C)CCS(C)(=O)=O 1539634553 BIHRXNKDDDHIBX-IEBWSBKVSA-N 419.551 1.726 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539750917 DPVWVDRNSHSCJK-KURKYZTESA-N 403.527 1.727 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCS(C)(=O)=O 1539900483 NQJZZUDROWPLHN-UHFFFAOYSA-N 411.572 1.987 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1540919435 AMFAHZDTBNCGDK-UZLBHIALSA-N 421.567 1.704 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC1(O)CCOCC1 1541664404 FEDNNZMEKXGBGK-LJQANCHMSA-N 404.515 1.478 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1545123943 XSZDBOYIUZRKHN-HOCLYGCPSA-N 417.901 1.443 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CC=CCC2)CCOC1 1547894002 OXXHHCRZHLKAHC-WOJBJXKFSA-N 404.490 1.634 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1)OC 1555248309 DOCNFUBQROEEBU-NEWSRXKRSA-N 424.505 1.441 30 10 HDEE C[S@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1555820824 GKVMEWKRQLFGBJ-MUWSIPGASA-N 421.473 1.787 30 10 HDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1557110193 KBTVGACRWJYTLJ-MHZLTWQESA-N 422.484 1.497 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 1557311156 JGRLVSRDJILEJC-UHFFFAOYSA-N 409.446 1.370 30 10 HDEE C[C@@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1CS(N)(=O)=O 1558607846 GDVAJLSXQJXAEZ-ZBFHGGJFSA-N 413.540 1.020 30 10 HDEE CCc1noc([C@@H]2CC[C@H](NC(=O)c3ccc(C)c(S(=O)(=O)NCC#N)c3)C2)n1 1558670308 YICFZRMAKZELKI-CABCVRRESA-N 417.491 1.808 30 10 HDEE N#CC1(CNC(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCOCC1 1558775713 CLEWBGSZHIUCSJ-UHFFFAOYSA-N 409.483 1.663 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1CCC(c2nccc(N3CCOCC3)n2)CC1 1560033161 LKGMHOOOGUOECU-QGZVFWFLSA-N 400.527 1.501 30 10 HDEE C[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc(-c2ccccc2)no1 1564474702 XKCCYYVZMAGJRZ-FRIZHTMISA-N 415.475 1.420 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(O)c2c(n1)CCOC2 1565248579 YVIDSUWNELIFLW-UHFFFAOYSA-N 410.478 1.400 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1)C(=O)OC 1570218723 IIYACKFEPLOBKU-QGZVFWFLSA-N 406.504 1.385 30 10 HDEE N#CCc1cccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 1583313631 CBEVNCJMVLCLCO-UHFFFAOYSA-N 406.489 1.411 30 10 HDEE C=CCC(C)(C)CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1583715181 MRUFIMYESVTMLF-AUUYWEPGSA-N 400.541 1.987 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)C3CC3)cc2)n1 1586565306 ONZLVWDJUTWOBA-UHFFFAOYSA-N 401.488 1.741 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1586729620 DKSZWNYZTCSNDU-BDJLRTHQSA-N 419.275 1.978 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1588073725 CCHHGRNGVXDMKZ-OKZBNKHCSA-N 421.567 1.241 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCOCC2)c1 1588109995 NXPVVHGMEDGFKA-KRWDZBQOSA-N 402.495 1.841 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1588263418 VGMGUTJUPGTUJK-UHFFFAOYSA-N 408.506 1.680 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588412216 AZOFDWLJFPHTNJ-QGZVFWFLSA-N 422.455 1.987 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@H]2CCOC[C@@H]2C)CC1 1588913599 NZWUWPIYKAXSED-HKUYNNGSSA-N 424.549 1.922 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CCN(C(=O)OC)CC1 1595292312 VTHCYMDTVVJUQT-UHFFFAOYSA-N 417.514 1.796 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2cn3ccccc3n2)CC1 1595475557 DHFZBMDGJDPRPZ-UHFFFAOYSA-N 422.537 1.674 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595506765 LYNPHKWSAZQERP-QAPCUYQASA-N 424.505 1.218 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCN(CCC)C2)C1 1595743522 CFIXZGYIUOPCHW-MOPGFXCFSA-N 416.570 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(NC(=O)c2ccsc2)CC1 1595765863 HZBMABWKRGIRLX-UHFFFAOYSA-N 423.564 1.648 30 10 HDEE N#C[C@@]12CN(C(=O)C3CCC(NC(=O)C4CCCC4)CC3)C[C@H]1CS(=O)(=O)C2 1611159000 HENFWOLRDINQKT-UGZUTAHUSA-N 407.536 1.248 30 10 HDEE CC(C)(C)n1nc(Br)c2c(=O)n(CC(=O)N[C@](C)(C#N)C3CC3)cnc21 1614837956 WQNXKUKHNMOAQY-QGZVFWFLSA-N 421.299 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)NC)cc2)s1 1616413333 BSBDFLBLQDPYHQ-UHFFFAOYSA-N 423.516 1.518 30 10 HDEE Cc1nnc(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1C 1616765608 VMTFHJKZCUAWLR-RDYUPDBUSA-N 402.499 1.569 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)C1 1618596386 XGERZWZEWNHIRW-OAQYLSRUSA-N 405.462 1.739 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccnc3)n2CCOCC(F)(F)C(F)F)CCO1 1620355919 PAWNQRZVUDLPLN-CYBMUJFWSA-N 414.363 1.986 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)CC1 1621762870 ZGCSXLGXFXWRQE-UHFFFAOYSA-N 415.581 1.445 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(CC(F)F)CC2)s1 1623244139 OHEPIWLZUAPQFL-UHFFFAOYSA-N 407.508 1.554 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)c(=O)nc1O 1624663938 ACYHLXSRGFZCRY-KRWDZBQOSA-N 415.881 1.817 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2cccc(NS(N)(=O)=O)c2)c1 1625117077 APAYFRCEWMISLX-UHFFFAOYSA-N 407.473 1.351 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)cc2OC)c1 1625580654 FCBKVKAEEHEXSF-UHFFFAOYSA-N 403.416 1.270 30 10 HDEE C#CCn1cc(CNC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)cn1 1626745179 SDRXYYRVQXXOPN-MRXNPFEDSA-N 413.482 1.610 30 10 HDEE C[C@@H](Oc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1627137067 SEMJXHPHNXTVSO-BFQNTYOBSA-N 413.293 1.613 30 10 HDEE C#CCCN1CCC(NC(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)CC1 1628690693 IGUMTHPZUDGRLG-HXUWFJFHSA-N 401.507 1.922 30 10 HDEE C#CCN(CC#CC)C(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1628846387 AAVUTFUYQOMYQN-UHFFFAOYSA-N 406.464 1.179 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)c2cc(N3CCOCC3)ncn2)ccc1OC 1629006558 RTGZMBVNGJDOII-MRXNPFEDSA-N 411.462 1.933 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1630764942 YBTSQGFOEBHGSB-UHFFFAOYSA-N 400.393 1.763 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1631901013 HJPTUYKKRNGMOP-HNNXBMFYSA-N 408.329 1.187 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H]1CCN(C(N)=O)C1 1632807308 UEEPFWPIYJFRFD-DOTOQJQBSA-N 413.478 1.662 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1 1632961222 URIVTSIVWWOGJS-UHFFFAOYSA-N 406.552 1.836 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(=O)OCC 1633300970 GLTYMCKCKJUBNW-SFHVURJKSA-N 424.519 1.460 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cnn(C3CCN(C)CC3)c2)c1 1635591839 FQJOHHLHGPWAMA-UHFFFAOYSA-N 401.492 1.314 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H](C3CC3)[C@H](CO)C3CC3)C2=O)cc1 1636116749 COCRFRNIRUZFGE-GGPKGHCWSA-N 410.474 1.677 30 10 HDEE C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1636611983 VEWGNCHVGQMHAP-JTQLQIEISA-N 400.298 1.306 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H]1CCOC2(CCC2)C1 1637075636 VIDMSVYPJFEURM-HNNXBMFYSA-N 405.520 1.971 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1637185572 YHPOTMWNENUCOF-YVORESIASA-N 400.541 1.938 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)OC)[C@H](C(=O)OC)C3)n[nH]2)c1C 1637385506 LAMXHIZMATZLNG-ZIAGYGMSSA-N 415.450 1.110 30 10 HDEE N#Cc1cn(C2CN(C(=O)CSCc3coc(-c4ccccc4)n3)C2)c(=O)nc1O 1637506268 TYIHCLWUHPTDDM-UHFFFAOYSA-N 423.454 1.792 30 10 HDEE C#C[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 1637747132 XKZGOYLDZOHAFB-OAHLLOKOSA-N 416.455 1.373 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN2CCSC[C@@H]12 1638408389 YYAUURHSGATHEL-INMHGKMJSA-N 401.540 1.148 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 1639527891 MFKULNIPUAWHGB-KZULUSFZSA-N 414.443 1.089 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc4n(n3)CCCO4)C2=O)cc1 1641836180 XLIWQPAAKUSDKG-MRXNPFEDSA-N 408.418 1.059 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC1 1646096526 WWUUGUXXBOXNAT-KRWDZBQOSA-N 405.524 1.418 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nn(CC)cc2C(=O)OCC)cc1 1647516251 IYBPACJRYKCUMW-UHFFFAOYSA-N 404.448 1.244 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)cc1 1648341011 CIIGXHZACPYVEV-HXUWFJFHSA-N 413.499 1.393 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1 1651132121 NWTYCTHQXOITBV-KRWDZBQOSA-N 417.487 1.073 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC3(CCOCC3)CO2)cc1 1651707739 YRWQHJSPEIXVEX-GOSISDBHSA-N 420.531 1.694 30 10 HDEE COCCCN(C[C@@H](O)c1cccc(C#N)c1)c1c(O)nc(=O)n(CC(C)C)c1N 1653738245 OUQGQIBRXLMHTE-QGZVFWFLSA-N 415.494 1.635 30 10 HDEE N#C[C@]12CN(Cc3cccc([N+](=O)[O-])c3Br)C[C@H]1CS(=O)(=O)C2 1656342954 FSJUWGQAIAHPHD-SMDDNHRTSA-N 400.254 1.727 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1 1672798741 QJLOYDNFTUSABU-MSOLQXFVSA-N 413.478 1.916 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 1674967688 CXBADEHTHRJJPJ-UHFFFAOYSA-N 410.522 1.133 30 10 HDEE Cc1ccccc1C1(CNC(=O)NCCn2cc(C#N)c(O)nc2=O)CCOCC1 1677287706 CTRCHTYEZIBGIN-UHFFFAOYSA-N 411.462 1.177 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CS(=O)(=O)C[C@@H]4C3)C2=O)cc1 1681516228 PYMDCHOVXMAYTE-BQFCYCMXSA-N 416.503 1.130 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](Cc3ccccc3)C2)CC1 1681528144 CSQISLASCRBFEX-MOPGFXCFSA-N 404.536 1.193 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccccc1 1682352553 PEEXYRZURGLDJD-GOSISDBHSA-N 423.498 1.953 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@@H](NC(=O)NCC(=O)NCC#N)c1ccccc1 1682372968 CCZGZFKCENXABT-MRXNPFEDSA-N 403.483 1.972 30 10 HDEE C#CC[C@H](COC)NC(=O)NC1CCN([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1682547359 DPENSURFPJJWQM-QFBILLFUSA-N 421.563 1.953 30 10 HDEE C#CCC1(NC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)CCOCC1 1684233739 KDKCEEXGZPSQGF-FQEVSTJZSA-N 412.534 1.756 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCN1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1687881712 BEYSKINKVQNECA-IFLJBQAJSA-N 401.551 1.830 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccnc1N1CCOCC1 1689969237 PTQZNMIJAWOPOW-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCOCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1689979499 CKTROZVKOIPQBG-QGZVFWFLSA-N 423.583 1.139 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1689986075 IDDTWFGTHUQYLP-SFHVURJKSA-N 414.535 1.063 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1689986354 NVMYTTOHLPHDMM-KRWDZBQOSA-N 410.503 1.538 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCn1c(O)nc2ccccc21 1689998194 DYTDNPUKMHQZRP-UHFFFAOYSA-N 417.473 1.342 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1690017498 FRLMETHJPVXKSG-RBUKOAKNSA-N 423.492 1.728 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCOC[C@H]2C)CC1 1690110289 FZUNBUSVZQYCKC-MSOLQXFVSA-N 416.570 1.624 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690495556 DUGWRNVYOYINGT-UTKZUKDTSA-N 419.526 1.491 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(N)=O)c2)C1 1692845178 CKMADXBEDOPZJY-JOCHJYFZSA-N 421.505 1.678 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1ncccc1N(C)C 1694702491 ZNPRCCUEAXFKFR-UHFFFAOYSA-N 404.478 1.885 30 10 HDEE CN(C(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1696571752 ZMUIIOKBHXBQFY-AEFFLSMTSA-N 416.526 1.692 30 10 HDEE COc1cccc(C(=O)NCCn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)c1 1697499691 BCBQITSQLWTVON-SFHVURJKSA-N 410.478 1.398 30 10 HDEE COCCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(C#N)o1 1698018469 HJKJWDOHGJKMQU-UHFFFAOYSA-N 419.445 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(C(C)C)C1 1705477933 UGHBNSLDZGUWKG-ULQDDVLXSA-N 410.588 1.467 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN(C(C)C)C1 1705477934 UGHBNSLDZGUWKG-YESZJQIVSA-N 410.588 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1705478654 FHIDGVOGUMGELD-DNVCBOLYSA-N 410.540 1.213 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)OCC)CC1 1705643302 AELBMYCKOIURQT-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](NC(C)=O)C1 1705679054 ADYWYBVQFDMPKL-ZDUSSCGKSA-N 413.320 1.430 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1705752674 CMZKMBHHISVAIN-CQSZACIVSA-N 407.906 1.366 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnccc2OC)CC1 1705769635 YMWQCFJIIIEMOA-HNNXBMFYSA-N 403.508 1.789 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1705830535 RVRYUIJYTMELPZ-MOPGFXCFSA-N 416.526 1.785 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705831105 GOMRAHLCZLBXQB-SFHVURJKSA-N 411.510 1.413 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cscn1 1705907586 QTDRTCNBGLDWJQ-UHFFFAOYSA-N 400.512 1.535 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2([S@@](C)=O)CCC2)C1 1705914347 LWMKLPMKDRBALD-WQIZZMQYSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(CC(N)=O)CC1 1705935143 IMDJUEBROONGSP-UHFFFAOYSA-N 411.572 1.559 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)C1 1706935819 ZHARKJRDDFZXLC-JTDSTZFVSA-N 405.524 1.655 30 10 HDEE CCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CC1 1708884543 HKBXZYWNWWOKKZ-MRXNPFEDSA-N 422.555 1.541 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN1CCCC1 1710735676 RFLPUZXHNYZBLU-UHFFFAOYSA-N 410.526 1.504 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cnccc1OC 1712454092 HUNKGINZZXTOSM-MRXNPFEDSA-N 400.483 1.990 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1712610558 BKVRTJSHTIYTBK-RTBURBONSA-N 424.505 1.585 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1NC(=O)CC1(C)C 1712625153 RXIBWIHWCLMCRW-AESZEHBQSA-N 404.515 1.513 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1722290851 BKXFTQOSPRLCMD-RDJZCZTQSA-N 417.535 1.586 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN(C)CC(F)(F)F)CC1 1722445544 YJJWTFDUPZTHOE-UHFFFAOYSA-N 414.476 1.861 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)[C@@H](C)C2)nnc1C(C)(C)C 1722704162 PIGZJLBGWBEVIY-ZDUSSCGKSA-N 402.465 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCOCC2(CCC2)C1 1722737042 QSSYETHMXRLRCT-MRXNPFEDSA-N 410.540 1.737 30 10 HDEE CC(=O)N1CCC(Cn2c(CC3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1722761300 CUOPMPLNCJEIOQ-LJQANCHMSA-N 400.527 1.998 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1723768617 DTUDPCGFPKQSQS-INIZCTEOSA-N 403.531 1.363 30 10 HDEE CN1CCCC(C)(C)[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1729596640 DLWXBKCSGJKOJX-IRXDYDNUSA-N 415.542 1.250 30 10 HDEE CO[C@]1(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CCOC1 1729952515 INEYSHZQXNTPAU-AABGKKOBSA-N 423.489 1.566 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1740548318 AGXUUNGRMZXPEC-SJLPKXTDSA-N 413.526 1.571 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CC1 1740551299 SXCGRPDBLJWZGG-HUUCEWRRSA-N 405.499 1.569 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1740622823 JBGRZRUZCHOBTL-AEFFLSMTSA-N 406.552 1.989 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCC(=O)N1CCOCC1 1740674936 YBTNBXLMGILBBQ-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(C)c1 1740686063 OBUFVBRIEXFLEY-GOSISDBHSA-N 402.520 1.623 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCC2(O)CCC2)CC1 1740689291 ACGFGQAVRGKGRZ-UHFFFAOYSA-N 402.543 1.257 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(N(C)C)c2)CC1 1740694934 XVWBTTXHTJVBPP-LJQANCHMSA-N 407.522 1.099 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2cccn(CC)c2=O)CC1 1740702494 QQARINYUEPIGJB-KRWDZBQOSA-N 424.549 1.987 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740995638 SGZBZNNQZLLLPF-OAHLLOKOSA-N 421.571 1.330 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1741303274 SAVVHASIAUYOIE-NPPFBWRTSA-N 408.506 1.939 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1741731111 GSUWFLLFNXCSPO-NQIIRXRSSA-N 418.542 1.533 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1)[C@H]1CCOC1 1747617147 AJBDVEQVSPHMKD-INIZCTEOSA-N 406.450 1.195 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1747862885 LCFLXEFBAAWUDT-MEUCICPISA-N 423.477 1.339 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1748744872 AYKDUUBJTDVXGY-UHFFFAOYSA-N 407.522 1.498 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1748811066 ATLCPJCZJIIVNU-KXBFYZLASA-N 405.524 1.307 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1748824787 SZBSXLROTHXVPQ-QGZVFWFLSA-N 406.483 1.629 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1748921215 YQGNMSDIFQSXOC-UHFFFAOYSA-N 413.507 1.117 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCN(CC)C1 1748965156 NLOFYJGSIOMXMH-LJQANCHMSA-N 421.549 1.944 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccccc2F)CC1 1748973014 VCWSPPUTGMEIFR-UHFFFAOYSA-N 419.464 1.868 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1749352868 YSLPUUQAQRGRRJ-HZPDHXFCSA-N 400.527 1.831 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749452414 YVZCAUUTRDPSLH-UHFFFAOYSA-N 407.478 1.589 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1749597856 NVLNBXYKDDILIR-MRXNPFEDSA-N 405.524 1.722 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC(=O)NCC(F)(F)F)C1 1749705091 GGMXUSAAMBGPMQ-CYBMUJFWSA-N 412.416 1.743 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@]1(N(C)C)CCSC1 1749831302 XUTRHJZWGPKLFE-FXAWDEMLSA-N 422.599 1.976 30 10 HDEE N#Cc1cccc([C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCCCCO)CCO2)c1 1750382838 YDMNIJMOMYTNQX-OALUTQOASA-N 424.505 1.841 30 10 HDEE N#CCC1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1750389693 IDZASVXKRZRDHY-VXPUYCOJSA-N 409.494 1.887 30 10 HDEE CC(C)(Cn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1750525148 CCBQQZUJOGJRJP-LJQANCHMSA-N 400.462 1.288 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1750560906 DFJATKBXCQYTAE-INIZCTEOSA-N 423.521 1.646 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@H]1CC=CCO1 1751206940 KDAORALJSPRPSG-GDBMZVCRSA-N 408.528 1.363 30 10 HDEE Cc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)sc1C 1751336335 HCBWXDXJQYAAPY-ZYHUDNBSSA-N 411.557 1.748 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC(=O)N(C)C1CCCCC1 1760119781 DDVWQDMPCKEULJ-INIZCTEOSA-N 400.527 1.650 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760185898 GRWRBSQNXRUEOD-XLIONFOSSA-N 420.510 1.514 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCn1cccn1 1760313995 SFDKWLYZCXFBLB-IAGOWNOFSA-N 401.515 1.730 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760345926 ZKOASDXUIKFJBW-GOSISDBHSA-N 402.543 1.493 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCOCC2)C1 1760533638 KMGPFJPDWZBGKF-QGZVFWFLSA-N 420.558 1.308 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCOC2)C1 1760534920 IUTCCYZTWVIRGF-GOEBONIOSA-N 411.528 1.016 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1760540918 RDANVZAYGWILPE-PXNSSMCTSA-N 418.519 1.276 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1762980355 WZPNOKIMQJEBPE-PLGXQAJASA-N 424.509 1.687 30 10 HDEE CCCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1764562671 GANKXNXKAPNZAI-HXUWFJFHSA-N 416.457 1.930 30 10 HDEE CCO[C@@]1(c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1767417286 YXTNOGCDIZTSQT-VLIAUNLRSA-N 414.466 1.110 30 10 HDEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1769552673 AFCJAYHXSJJVTA-OAHLLOKOSA-N 412.498 1.044 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2c(F)cc(F)c(F)c2F)CCO1 1770746509 AVBAASJYZAMHRY-NOZJJQNGSA-N 424.358 1.563 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1 1772790634 RYDUOKJYYDSJRT-UHFFFAOYSA-N 423.406 1.672 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCC(COc4ncccc4C#N)CC3)CC2=O)cn1 1850635691 GYCQAELDTNMCIZ-KRWDZBQOSA-N 408.462 1.357 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(Cc2ccc(Cl)cc2)C1 1850794752 OJIHKYMXKMLBMC-CYBMUJFWSA-N 417.874 1.954 30 10 HDEE N#Cc1cn(-c2ccccc2)[nH]c1=NC(=O)c1cc2n(n1)CCC[C@@H]2N1CCOCC1 1851342028 ZOELCDJEZFQXSG-IBGZPJMESA-N 417.473 1.782 30 10 HDEE COc1ccc(C(=O)NCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)cc1 1852129325 MZCJNKMSFMFZKR-UHFFFAOYSA-N 423.473 1.057 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCOC3)C3(CCCCC3)C2=O)CC1=O 1854104492 XQJLAPLUEJEWTE-ZWKOTPCHSA-N 403.523 1.431 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)C2CC(C)(C)C2)C1=O 1854957885 POLHSVIYTAVQCP-SFHVURJKSA-N 410.522 1.813 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3c(CC)nc4ccccc43)C(=O)C2)C1 1856832472 PYMGXHJCLLOEEP-SFHVURJKSA-N 409.534 1.920 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)C1CC2(COC2)C1 1856890800 HCPDWWHQLOYJGD-UHFFFAOYSA-N 417.487 1.453 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@@H]1CCN(C)C1=O 1857062340 IHYDZQHLSYDULX-IEBWSBKVSA-N 417.550 1.677 30 10 HDEE CC(C)c1oncc1C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857070205 JRKZWUAXNXZGDA-QGZVFWFLSA-N 408.462 1.628 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3c(c2)ncn3C)C1)[C@@H]1CCN(C)C1=O 1857277472 UYVUUHPIPXOHED-DNVCBOLYSA-N 409.490 1.281 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nnc([C@H]3CCCO3)s2)c(=O)cc1C(=O)O 1857890476 YMXIFAWYDOKUDO-GFCCVEGCSA-N 406.420 1.453 30 10 HDEE Cc1cc(=NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2C#N)[nH]o1 1858073668 QHBKWOLNQICQIS-QGZVFWFLSA-N 410.455 1.805 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)C(F)(F)F)cc1 1858657007 AZLWFWSAAHQXME-UHFFFAOYSA-N 405.398 1.937 30 10 HDEE COc1ccc(CN2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)cc1OC 1872724611 MDNQJPNJAPIGGF-UHFFFAOYSA-N 416.503 1.883 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(C(=O)OC)cc1 1874470570 KOFLAIPRJZBUJV-CIAFOILYSA-N 419.507 1.754 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(NCc3cccnc3)ncnc21 1875228530 RZZIRKOUTCESCV-UHFFFAOYSA-N 421.505 1.375 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(C)=O)CC2)cc2c(NCc3ccccn3)ncnc21 1875230484 BPKFWMWFWJMCMP-UHFFFAOYSA-N 419.489 1.929 30 10 HDEE CC1(C)OB(c2cnc(NC(=O)CNC(=O)OCc3ccccc3)nc2)OC1(C)C 1885428165 HTPAYFJNVWIEPP-UHFFFAOYSA-N 412.255 1.641 30 10 HDEE N#Cc1ccc(NC(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1 1889550719 SMIYSUWZQHIAIF-UHFFFAOYSA-N 408.466 1.502 30 10 HDEE C#CCN(CC(F)(F)F)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 1942094383 DEVYABCCTXKSRZ-UHFFFAOYSA-N 402.394 1.890 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C(B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 1985098542 WPKFATSGCIPCHU-BHPKHCPMSA-N 410.320 1.811 30 10 HDEE C[C@@]1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCCN(C(=O)OCc2ccccc2)C1 2054405303 ZMDKKHWKCRWUCZ-IEBWSBKVSA-N 406.508 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)C1 2118162014 GRRALJIEWORJIC-LBPRGKRZSA-N 401.510 1.782 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCN(C)[C@@H](C#N)C2)C1 2124736959 NFOUQJCNZZDBQN-WFXMLNOXSA-N 400.479 1.469 30 10 HDEE Cc1cc(CNC(=O)N[C@H](C)S(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2203126755 SCCITWDRACXITM-NSHDSACASA-N 402.347 1.546 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243394601 KCLQUKTWKHTSSG-HNNXBMFYSA-N 408.304 1.621 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CCO1 2247812233 FDVPZGMBEPILAN-GFCCVEGCSA-N 422.291 1.380 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247916720 CRYZOOJBGHDCQO-GXTWGEPZSA-N 420.319 1.742 30 10 HDEE C=CCCC1(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2280942703 JWPURGLIJKMIOG-AWEZNQCLSA-N 401.529 1.327 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282016514 YUMADGRKNLCHEU-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE C[C@@H]1CSCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282329427 MCVLSRBWNSSHRQ-LBPRGKRZSA-N 401.363 1.093 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)N=S1(=O)CCCCC1 2282331467 NVIACIOSBYWKDE-UHFFFAOYSA-N 403.335 1.060 30 10 HDEE CCN([C@@H]1CCC[C@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337040 DHYKAWPMHMKQEP-ZIAGYGMSSA-N 401.359 1.971 30 10 HDEE C[C@@H]1CC[C@@H](CO)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282416186 RSOANFVEVLAHNQ-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@H](N)C2)OC1(C)C 2282493430 UGXZGDYRZOFWHW-NWDGAFQWSA-N 400.737 1.797 30 10 HDEE C[C@@H]1OCC[C@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282501278 VHWNJLKFSDEEOR-WCQYABFASA-N 402.347 1.381 30 10 HDEE CC1(C)[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282502091 GPIMRBHZMVCAED-LBPRGKRZSA-N 402.347 1.117 30 10 HDEE COC[C@@H](CF)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282511287 LHUPVVBWJIBPOM-LLVKDONJSA-N 407.700 1.902 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCNC[C@H]3CO)sc2Cl)OC1(C)C 2282618757 OFDUARHKGJVJEH-JQWIXIFHSA-N 400.737 1.401 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C[C@@]23CC3(F)F)OC1(C)C 2282831845 FLWXFAALOGRGMV-QMTHXVAHSA-N 406.285 1.659 30 10 HDEE C[C@@H]1CC[C@@H](N)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836040 DVFFYPUNAJWZNK-VXGBXAGGSA-N 401.363 1.084 30 10 HDEE CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848594 PDZGNDPUOJXYMR-NSHDSACASA-N 402.347 1.050 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCNC1 2282850585 QSZFWYPJEISMGA-STQMWFEESA-N 400.375 1.714 30 10 HDEE CC(C)[C@H]1CNCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855542 GIXMWQUTCGRSJL-CQSZACIVSA-N 400.375 1.666 30 10 HDEE CC1(C)NCCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856184 OSIGRKCCMAPNKG-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE C[C@@H](CO)CC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866907 QKUGCOKWAKQKGX-GFCCVEGCSA-N 401.359 1.686 30 10 HDEE CCSC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284407872 PXWWYSXPTRELKO-LLVKDONJSA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](C(=O)O)[C@@H](F)C2)OC1(C)C 2284410796 DTHNXRTVPPDNSG-KOLCDFICSA-N 405.278 1.091 30 10 HDEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)CC2(C#N)CCC2)C1 2289500537 RCBWLERUODKSBJ-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@@](NCC#CBr)(C(=O)O)C[C@H]21 2306582039 LBCBKSHTXLIXRD-XHBSWPGZSA-N 403.273 1.554 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@@H](O)C#CC(C)(C)S(C)(=O)=O 2339652136 WGYDNGXRYYKVJN-NEPJUHHUSA-N 403.526 1.161 30 10 HDEE C[C@H]1N(C(=O)OC(C)(C)C)CC[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240599 GZFMHISHRCNTAC-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CN(C[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)C(=O)OC(C)(C)C 2365248797 QZRYRZSUGKNZAV-SFHVURJKSA-N 405.513 1.930 30 10 HDEE CCN[C@@H](C#Cc1cnn(C)c1)[C@H](O)c1ncc(I)s1 2366153998 WTHJHRQJNWMGEW-JQWIXIFHSA-N 402.261 1.544 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCO1 2367790027 FTIBNROSPBPHKO-BZUAXINKSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 2367794894 BYSSTPWFKDLKAF-OAGGEKHMSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1OC 2367801534 TWUHCYIMGWPUAN-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2367811726 LEVFWWGDBNYUQI-OWCLPIDISA-N 402.557 1.599 30 10 HDEE Nn1c(N/N=C/c2c(O)ccc3ccccc23)nnc1SCC(=O)Nc1nnc[nH]1 20916450 VQVSBPMTUTWKTP-IFRROFPPSA-N 424.450 1.146 30 10 HDEE C[C@H]1CCC[C@H](C)N1C(=O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 31294975 OMSCYTGCBXLXHI-IRXDYDNUSA-N 404.536 1.654 30 10 HDEE O=C(O)COc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 33960884 WKSXBXOWAKYFGM-FYJGNVAPSA-N 411.466 1.981 30 10 HDEE N#Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 52028331 SNBURPHNWKYZOM-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE O=C(CI)Nc1cccc(C(=O)ON2C(=O)CCC2=O)c1 142477566 FESBLJBMZSNPOK-UHFFFAOYSA-N 402.144 1.281 30 10 HDEE C[C@H](C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1)n1cnc(C#N)n1 409902219 FIBBWVMKZJUROI-IEBWSBKVSA-N 421.505 1.046 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H]1CCN(c2sccc2C#N)C1=O 441215321 BRWHMBHHOOZOKK-MRLBHPIUSA-N 403.460 1.150 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCCOc2ccc(C#N)cc2)c1 443248489 MUBCRUKMFZZZAY-UHFFFAOYSA-N 418.427 1.489 30 10 HDEE N#C[C@@H](NC(=O)[C@H]1CC[C@@H](C(=O)N[C@@H](C#N)C2CC2)N1Cc1ccccc1)C1CC1 464395786 NNVRSQINGZDMJI-FXELSEDVSA-N 405.502 1.856 30 10 HDEE C[C@@]1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCS1 467967081 DWRUOVRGNXNLNY-SFHVURJKSA-N 408.549 1.860 30 10 HDEE CN1CCN(Cc2cccc(C(=O)N3CCN(c4ncccc4C#N)CC3)c2)CC1 468254039 GFWDBILWZXXOLF-UHFFFAOYSA-N 404.518 1.663 30 10 HDEE CCc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)ncn1 495419216 ABTMQZWKZJXWBW-LJQANCHMSA-N 420.521 1.806 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2c(C)cnn2C)c(=O)n1C1CC1 505695674 WBICHNBYBVXDQO-UHFFFAOYSA-N 420.494 1.681 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(CCOc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 506681729 PNLHNZIVJBVIEB-OAQYLSRUSA-N 422.533 1.792 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](c2noc(C3CC3)n2)C1 509002061 YSZUOHIJGQDMAI-JSGCOSHPSA-N 421.527 1.719 30 10 HDEE C=CCn1c(Cc2ccccc2)nnc1S(=O)(=O)Cc1nsc(N(C)C)n1 510118971 VJSJFTXWJQQSEZ-UHFFFAOYSA-N 404.521 1.946 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)C1=O 519098544 OYPSMKPTUIREES-GFCCVEGCSA-N 407.829 1.989 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2CC)c(=O)n1Cc1ccccc1 533579461 AEKZHLMYAQMRLT-UHFFFAOYSA-N 421.526 1.204 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)c2cccc(Cl)c2C#N)C1=O 543976532 HBTJNOWBPDLHMY-CQSZACIVSA-N 407.883 1.415 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 549678453 VXDDKZPKGBZDMT-HNNXBMFYSA-N 416.530 1.821 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(c2ccncc2OC)CC1 558988580 OSSQOTHMVXHABP-SFHVURJKSA-N 400.483 1.672 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(C(F)(F)F)ns2)CC1 568612723 FIXHPVWBHCBIPA-UHFFFAOYSA-N 403.411 1.939 30 10 HDEE CCC(CC)[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)N1CCOCC1 585704584 YLRSDDKGDKFUOA-LJQANCHMSA-N 404.486 1.567 30 10 HDEE COCCCN(C(=O)CC1(C#N)CC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 590170214 JRGBKHLQTQAHOV-UHFFFAOYSA-N 411.462 1.643 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccccc2CN2C(=O)CCC2=O)c(F)c1 609255770 WVYOXCBWRAMOGA-UHFFFAOYSA-N 408.389 1.601 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 679530721 NARIZHKEKLTSHW-GOSISDBHSA-N 402.495 1.110 30 10 HDEE COC(=O)[C@H]1CN2CCC[C@@H](C2)N1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725447317 IRVMFBSJYNNQJN-RBUKOAKNSA-N 400.328 1.807 30 10 HDEE C[C@@H](OC(=O)CNS(=O)(=O)c1ccccc1C#N)C(=O)c1cc(F)ccc1F 730297505 PUJDFILALZDZBK-LLVKDONJSA-N 408.382 1.929 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccoc2COc2ccc(C=O)cc2)CC1 731601181 NHWRZTAKXUIQCR-UHFFFAOYSA-N 411.458 1.731 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](c2nncn2C2CC2)C1 731879225 GTOAEUCMESPNDI-ZDUSSCGKSA-N 414.491 1.058 30 10 HDEE COc1ccc(-c2cnc(CCC(=O)NCCN/C(O)=C3\N=CC=CC3=O)o2)cc1 732153307 MLJPCHXRKLPVKH-QZQOTICOSA-N 410.430 1.925 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N(Cc1cccs1)C[C@H]1CCCO1 732464876 BRIDDENVPYUFOY-IAFNSTAXSA-N 404.492 1.965 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 734278482 TXYGGNOKTDBHLW-KRWDZBQOSA-N 423.558 1.405 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(N2CCCS2(=O)=O)cc1 734293037 DVGYIOAZOINTQO-UHFFFAOYSA-N 419.484 1.525 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H]2CCCN(c3ccc(F)cc3C)C2=O)C1=O 735350066 UNXNNWXAJOIBKH-HNNXBMFYSA-N 417.393 1.150 30 10 HDEE Cc1c(C#N)c(NC(=O)COC(=O)[C@H](O)C2CCOCC2)n(Cc2ccco2)c1C 735944662 JJIMMOZJQNWMIM-LJQANCHMSA-N 415.446 1.887 30 10 HDEE COc1ccc(F)cc1CN1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746103033 FRVFFZFOYQTBNZ-QZQOTICOSA-N 416.453 1.395 30 10 HDEE C#CCN(CC(=O)N1CCN([C@H](C)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 749283931 JRUJGHRWGYXGGM-QUCCMNQESA-N 403.548 1.014 30 10 HDEE C#CCNC(=O)[C@@H](C)OC(=O)c1cc(S[C@H](C)C(=O)NCC#C)ccc1Cl 750954281 VKYXKGDPCRKILJ-CHWSQXEVSA-N 406.891 1.865 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 752153837 JMLCXZADOIAPLB-UHFFFAOYSA-N 413.293 1.082 30 10 HDEE N#Cc1c(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cccc1S(N)(=O)=O 754977970 BVBPSHNAQBTBII-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccn2)CC1 756893628 WLUDZLVIQUEUGA-SJORKVTESA-N 414.510 1.322 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 758040915 NHCHJCSBNJFLQY-UHFFFAOYSA-N 411.552 1.684 30 10 HDEE COc1ccc2c(c1)[C@@]1(CC2)NC(=O)N(CC(=O)NCc2cccc(C#N)c2)C1=O 771148884 CXWZRJOPEFQCTN-JOCHJYFZSA-N 404.426 1.577 30 10 HDEE C#CCNS(=O)(=O)c1ccc(-c2nc(CC(=O)N(C)Cc3ccccc3)no2)cc1 771646589 PBDFHUMVTZVESC-UHFFFAOYSA-N 424.482 1.849 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 773830267 FMZPZUSYJOPJIA-AWEZNQCLSA-N 400.382 1.365 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)Cc2cnc(N(C)C)nc2)ccc1F 781027133 VLWODIRPMRTWHI-UHFFFAOYSA-N 407.471 1.418 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 786296430 OJIGEFUCPPJHDI-AWEZNQCLSA-N 419.482 1.023 30 10 HDEE Cn1nnnc1CCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccsc1 790742774 PHXOESIHVMJTTF-LBPRGKRZSA-N 405.509 1.115 30 10 HDEE C=CC[C@@]1(C(=O)OCC(=O)N2CCN(C(C)=O)CC2)CCCN1C(=O)OC(C)(C)C 791718244 ORQDBUAXMIYEPC-NRFANRHFSA-N 423.510 1.566 30 10 HDEE CN(C)C(=O)c1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1 797249078 GJPICWCEZCICJD-UHFFFAOYSA-N 415.446 1.936 30 10 HDEE C[C@H](C(=O)OCc1n[nH]c(Cc2ccccc2Br)n1)n1cnc(C#N)n1 798850046 HZLWLFLRCRGEAD-SNVBAGLBSA-N 416.239 1.926 30 10 HDEE C#CCN(CCNC(=O)NC(C)(C)COCc1ccccc1)[C@H]1CCS(=O)(=O)C1 799308075 VDLIXZVTNLVGQR-IBGZPJMESA-N 421.563 1.403 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CSC2(C)C)C1=O 802720403 HAUQZPUDMFYOFX-OLZOCXBDSA-N 406.533 1.747 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 849502907 GAXOHKYGIICCTG-RTWAWAEBSA-N 407.518 1.970 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2c(Cl)nc3ccccn23)CC1 917867412 UYOKAOSUSDIRAD-UHFFFAOYSA-N 402.867 1.765 30 10 HDEE COc1ccc(O)c(C=NNc2nc(SCC(=O)Nc3cc(C)on3)n[nH]2)c1 1083877695 BVZJCBXPDKMTIC-UHFFFAOYSA-N 403.424 1.992 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1 1129930543 LCYOAHLOENOQPD-GASCZTMLSA-N 419.507 1.192 30 10 HDEE C=CC1(CC(=O)NCCS(=O)(=O)NCC2CCC2)CN(C(=O)OC(C)(C)C)C1 1136633994 LAEPZGKEFWQMII-UHFFFAOYSA-N 415.556 1.635 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(C4CC4)C(=O)C3)C2)C1 1137162583 XYCHACSDGSKWIB-DBWCEAHUSA-N 402.495 1.606 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1141738981 DGRIANYMHJUIHR-KRWDZBQOSA-N 400.522 1.321 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)c(=O)n(C)c1=O 1142543869 GSNGQLSLJIFXGD-RUDMXATFSA-N 403.398 1.795 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1143729961 GCUIGKHHQVJZBE-MRXNPFEDSA-N 414.487 1.803 30 10 HDEE C#CCN(C(=O)C1=NO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CCN(C)CC1 1156646342 FEHHGIOYKPZAEH-NRFANRHFSA-N 404.511 1.698 30 10 HDEE CC(=O)N(C)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 1162433471 BKMOHKALLJMTCE-UHFFFAOYSA-N 401.448 1.427 30 10 HDEE CCn1c(CN2CC[C@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1174772079 ZSIDYTWQGKKSFL-HXUWFJFHSA-N 417.535 1.813 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1177763668 OKMICZYJKKNHSU-QNOZYLDQSA-N 422.522 1.827 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](COC)[C@H]2CCCOC2)s1 1178048904 YOSONPCNXZIAOV-DZGCQCFKSA-N 402.538 1.313 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cnn3cc(Br)cnc23)cc1 1190446185 LUCJVIKDCLJKTQ-UHFFFAOYSA-N 421.276 1.982 30 10 HDEE C#C[C@@H]1COCCN1C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1OCC 1196778583 NPPQEHUFDLWMKK-OAHLLOKOSA-N 409.508 1.982 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(CN3CCC[C@@H](C(N)=O)C3)c2)C1 1221867961 IBBCXVAONYAECK-RTWAWAEBSA-N 411.550 1.281 30 10 HDEE C=CCN1CCC(NC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)CC1 1226842902 ADKVRJUUJSYQAI-QHCPKHFHSA-N 412.534 1.850 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC3(CC(N)=O)CCCCC3)C2=O)cc1 1227632606 OPRQUVHUFNTPJQ-GOSISDBHSA-N 411.506 1.784 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1253779320 OFVNTPPMFHQDCF-OAQYLSRUSA-N 414.550 1.695 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 1264226030 QXYDBASQPUCYJT-INIZCTEOSA-N 415.462 1.269 30 10 HDEE C#CCC1(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@H]2CCN(C)[C@@H]2CC)CCOCC1 1282637482 SBGCPPMIEMOQFJ-CXQPBAHBSA-N 401.551 1.785 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COCC 1286273867 KWFPLSWIQVCOOH-CVEARBPZSA-N 419.551 1.931 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC)[C@H](C)C1 1286346188 WRISADIFTWPUSL-QGZVFWFLSA-N 405.510 1.865 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NC(C)C 1286379034 CHWFJGKXCARBNQ-UHFFFAOYSA-N 423.565 1.237 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c(c1)OCCO2 1286398777 PAACAIYVBNXKKP-UHFFFAOYSA-N 419.485 1.601 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCO[C@H]1C 1286467157 RLCJXEZCKBWWGE-KKSFZXQISA-N 402.470 1.634 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(C)CCO[C@H]2C2CC2)CC1 1286470920 FNVJSTVVAYMTQQ-PGRDOPGGSA-N 414.554 1.377 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1286483497 NITFTBUJOPPBOQ-GHTZIAJQSA-N 412.538 1.137 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286559279 VSZPCRNHQICMDV-OXJNMPFZSA-N 402.543 1.222 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncn(-c2ccccc2)n1 1286726609 GIPBDUTULNNIMU-HNNXBMFYSA-N 413.507 1.431 30 10 HDEE CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)Nc2cc(C#N)c(F)cc2F)cc1 1288003139 DZSYAQNBVINYFV-UHFFFAOYSA-N 407.398 1.951 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)C1CCN(C)CC1 1289195517 NMHRCNVUIPDLKG-AWEZNQCLSA-N 402.426 1.643 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1292831202 HAGARCMLSFBBFO-QGZVFWFLSA-N 402.524 1.773 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc(C)nc2ncnn12 1294242700 UWOBOULIDAXSIH-AWEZNQCLSA-N 401.471 1.268 30 10 HDEE O=C(Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)c1cccc(C#CCO)c1 1296678825 ONQKMIUKEMPBPC-UHFFFAOYSA-N 408.439 1.874 30 10 HDEE N#Cc1ccc(OCC(=O)NC2CCC3(CC2)NC(=O)NC3=O)cc1Br 1297622154 NVKINIDDOQIWPL-UHFFFAOYSA-N 421.251 1.337 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H]1CS(=O)(=O)C[C@H]1C(F)(F)F 1298754689 FOIQKPPOLIOGIG-LSDHHAIUSA-N 404.410 1.756 30 10 HDEE CN(CCN(C)C(=O)c1ccccc1OCC#N)CCN1C(=O)c2ccccc2C1=O 1298755256 AEDJRZAQYDPUCS-UHFFFAOYSA-N 420.469 1.889 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1299184792 JYNFXFKPIXRIQR-QGZVFWFLSA-N 423.521 1.694 30 10 HDEE COc1cc(Cn2c(CC(C)C)nnc2N2CCO[C@@H](C#N)C2)ccc1OCCO 1299885198 AKPWMIPIGFMROF-KRWDZBQOSA-N 415.494 1.633 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cc1 1300076398 FYVXRTLIMBVPDO-IRXDYDNUSA-N 410.478 1.597 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1300268794 VWIFUTVTUXJLGF-QGZVFWFLSA-N 408.506 1.631 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1300363408 DWBBIWFZEFTXJD-SQGPQFPESA-N 422.551 1.368 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CS[C@H](Cc2ccccc2F)C(=O)N1 1300396383 QGAUOAOSHINNIA-DLBZAZTESA-N 420.506 1.772 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1300482306 DRCFSNZHRQWCGU-PKOBYXMFSA-N 407.584 1.725 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1300731952 JEXQAOVFPBZMDD-INIZCTEOSA-N 421.567 1.557 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300918942 NGARZCNWLPOQNJ-GOSISDBHSA-N 418.567 1.948 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1301187557 XSZLZANCLMZZLZ-OAHLLOKOSA-N 411.572 1.887 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1301197293 HMXXMKBWNVSUDM-OAHLLOKOSA-N 412.560 1.148 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc(C)s1)C1CC1 1301314629 YMCGCFUJXWKOPC-LLVKDONJSA-N 411.557 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1301584927 GGNWHJHYBWNWFU-HUUCEWRRSA-N 410.496 1.651 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccccc2OC)cc1 1301764180 KKAWOWFUUWXOLS-OAQYLSRUSA-N 418.515 1.883 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCSC1 1301964448 AFOFVXIGBRUENN-SGTLLEGYSA-N 404.496 1.470 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](CCC1OCCO1)C(=O)OC 1302819971 YVVZPXDLMJRCBR-INIZCTEOSA-N 415.446 1.862 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 1302923655 CDHFMAMSYJUQQI-UHFFFAOYSA-N 404.319 1.538 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](OC)c2ccccc2C(F)(F)F)CC1 1302924325 KOBAULQSYVZBBE-OAHLLOKOSA-N 419.425 1.005 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2nccn2C(F)F)cc1 1302988824 CYXXQFWMLKDUIV-AWEZNQCLSA-N 412.404 1.768 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3ccncc3)C[C@@H]2C)cc1S(=O)(=O)NCC#N 1303790737 IPELDOSETODRQI-INIZCTEOSA-N 413.503 1.543 30 10 HDEE Cc1nc([C@H]2CCN(CC(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)C2)no1 1308072369 VNMUORNOCUYBSA-HKUYNNGSSA-N 412.469 1.716 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2CS(C)(=O)=O)cc1 1310556406 HMOQGWOESMSTGZ-HIFRSBDPSA-N 413.521 1.803 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1)OC 1315793326 IZOABSAEZXRVKA-MOPGFXCFSA-N 422.493 1.911 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCCS2)CCO1 1316535202 FTCSMEJCUFEAIC-GJZGRUSLSA-N 413.507 1.940 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OC(=O)C1(OC)CS(=O)(=O)C1 1351977564 CUVUCUPCKKLPAC-UHFFFAOYSA-N 404.238 1.438 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1358882494 ASYDTXUCKWWHQD-INIZCTEOSA-N 410.503 1.777 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1358889409 BQAHSVFQUAYDLX-HDMKZQKVSA-N 416.503 1.683 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1358958495 PKDCSXJUVOLHDI-MRXNPFEDSA-N 418.519 1.778 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)NC(C)C 1359005886 ZEDYTXYVLZZUAH-UHFFFAOYSA-N 400.508 1.604 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1359096018 VSSKJBNXWWXSGR-RYRKJORJSA-N 417.535 1.945 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCS(=O)(=O)C2)CC1 1359158460 SFDCRIGXHSBWIQ-OAHLLOKOSA-N 409.556 1.788 30 10 HDEE C=CCn1c(N2C[C@H]3NC(=O)CC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290096 HMRBZJOSULIZAT-LVQVYYBASA-N 416.526 1.950 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1438772656 VRTZLAPTHWTZOG-ZIAGYGMSSA-N 410.540 1.700 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1443909753 BMOCRBIXJOZEMK-XNDRKVBMSA-N 413.540 1.713 30 10 HDEE COC(=O)c1cn(CCNC(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)nn1 1449402869 AXOICMVVCQSYHW-UHFFFAOYSA-N 414.271 1.102 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(O)C1=O 1450155243 JIVVTJFVNHUCOU-CVEARBPZSA-N 406.483 1.118 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCCCCC2)c1 1450483265 KZUPJGNPLMJNKE-UHFFFAOYSA-N 419.547 1.206 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2cc(O)nc(O)n2)C1 1452343272 CCXXWASVLYUTRL-UHFFFAOYSA-N 404.224 1.275 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1452947590 LRRCBYBFTQGCLH-IRXDYDNUSA-N 419.528 1.965 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)CC1 1452948101 QXIMUVZMLKSWES-IBGZPJMESA-N 407.536 1.892 30 10 HDEE CSc1nn(C)c(NC(=O)COc2cccc(Br)c2C#N)c1C(N)=O 1456372209 GWQSZUPSYHKWGL-UHFFFAOYSA-N 424.280 1.893 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3c(C#N)cccc3[N+](=O)[O-])CC2)cc1 1458082591 SFMPBCMPMPMVKK-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 1460760835 RMNQIMZSCMEPBC-OAHLLOKOSA-N 411.474 1.143 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cc(Br)ccc1-n1cnnn1 1461386362 MKLFITDXUHSAPR-UHFFFAOYSA-N 420.267 1.842 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NCCN1Cc2ccccc2OCC1=O 1464482904 CQRYYPOAMQZXGV-UHFFFAOYSA-N 401.444 1.266 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCc2cc(=O)n3ccccc3n2)cc1 1466174464 HEKPNBXEJCRSPH-CYBMUJFWSA-N 411.443 1.702 30 10 HDEE C[C@@H]1C[C@@H]1c1noc(CC2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)n1 1469855890 BMXBOBGXSJTMII-UMQUBPGCSA-N 413.478 1.891 30 10 HDEE C[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)N1C(=O)CCC1=O 1469884941 JBDMIGXIEVXHTC-CQSZACIVSA-N 406.446 1.134 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2cncc(C#N)c2)C1=O 1471971022 WZFGSRVHGFERBJ-INIZCTEOSA-N 401.467 1.333 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1472254693 ZOBXVKNTOLZUOB-NSHDSACASA-N 418.251 1.590 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)C2CS(=O)(=O)C2)n(-c2ccc(F)cc2)c1C 1473720193 GSRLORBZYYSZKN-UHFFFAOYSA-N 404.467 1.772 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OCC 1475629573 TTYDVZGUISRQJC-HNNXBMFYSA-N 410.492 1.547 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494341540 DBVAYTNTQJTSSX-MJBXVCDLSA-N 405.480 1.307 30 10 HDEE COc1ccc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1 1504317588 ASJJLBCVZGJLRC-UZLBHIALSA-N 414.441 1.759 30 10 HDEE COC[C@H](Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1)OC 1504579970 GIKMYQKAYFXMME-CVEARBPZSA-N 417.466 1.352 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC1([S@@](C)=O)CCC1 1505059861 VURHCLOYMAIOLZ-OTGIPDGQSA-N 409.556 1.899 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCN1CCOCC1 1507589559 XVFNQNBRXHOYSZ-FQEVSTJZSA-N 411.506 1.972 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)CC1 1507934997 LMNTZDKHDINWFF-HNNXBMFYSA-N 411.528 1.425 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCCCO1 1508039399 NRSSORRHMOMQPY-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCCOC2)C1 1508139445 GUXSOBLFHRHKAD-IBGZPJMESA-N 420.539 1.286 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508140224 GYLLSFTWPUEJBP-KSZLIROESA-N 424.567 1.983 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1508153687 OWKIJIDKQZUSIF-UHFFFAOYSA-N 404.540 1.674 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1 1511645801 HUFGYTZMCGLOCC-KRWDZBQOSA-N 422.449 1.981 30 10 HDEE CC[C@@H](C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1513158037 COPDVDHJTNJRLL-MRXNPFEDSA-N 411.510 1.395 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1516212243 MUELHSLPTGVKRA-OAQYLSRUSA-N 414.510 1.974 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)cc1O 1518281446 HKDRUXIYBCTWOE-HIFRSBDPSA-N 419.507 1.681 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CCO1 1518911250 CBSPZNQYSDYSKH-GOSISDBHSA-N 417.535 1.784 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCSCCCO)c1 1521082411 FYNANYKLRLFXTF-UHFFFAOYSA-N 400.508 1.259 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1521143091 DFIHZLNDHRRDDF-QGZVFWFLSA-N 414.514 1.476 30 10 HDEE Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)N1CCN(c3c(C#N)c(C)nn3C)CC1)C2 1522359690 ARERIWBQFLJDGP-JOCHJYFZSA-N 407.474 1.729 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc3c(s2)COCC3)ccc1F 1535862761 NPNPDHMCZLWWNJ-UHFFFAOYSA-N 411.480 1.749 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1537825133 WHSRUTWENWKAFC-RDJZCZTQSA-N 408.476 1.605 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCN1CCCCC1=O)[C@@H]1CCS(=O)(=O)C1 1539201462 ADWGZPPOHULIDX-QGZVFWFLSA-N 421.567 1.431 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1539369538 MJGFEGHSLGPDRH-MRXNPFEDSA-N 423.564 1.489 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1539446609 HCBINVGRVSJEDO-XUTLUUPISA-N 423.521 1.217 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCCC1 1539538344 GDGTWANHLXOBCV-CRAIPNDOSA-N 409.556 1.840 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1)C1CC1 1540107620 BYBKCRPMLCCQNJ-HOTGVXAUSA-N 409.556 1.056 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCSC2)C1 1540874449 HDBXKZFPUTWUGF-HXUWFJFHSA-N 415.567 1.775 30 10 HDEE CC[C@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1545626800 ZEKXSOIMIUNHGU-STGLLQLASA-N 412.498 1.687 30 10 HDEE CCC[C@@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1546856271 AGIFGNOHXXEPPB-QAPCUYQASA-N 423.521 1.681 30 10 HDEE CCCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1547075217 ZCWUMBHKQYHLLH-CZUORRHYSA-N 402.496 1.147 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1547728482 BSEUIAJDYINJIO-UYAOXDASSA-N 415.586 1.938 30 10 HDEE COC[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1S(=O)(=O)N(C)C 1548401379 GQUJJWUOEZLPPL-AWEZNQCLSA-N 406.430 1.520 30 10 HDEE COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1Cc1ccc(C#N)o1 1555625100 QXFOBCIIEIZLCI-JKIFEVAISA-N 414.466 1.230 30 10 HDEE CS(=O)(=O)NCCn1c(CC2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1555819278 NFWQHPBEQSXECR-MSOLQXFVSA-N 414.535 1.523 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)C1 1555984690 AEOVBLZMSGPKDU-KUHUBIRLSA-N 415.404 1.449 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCC2(CC1)CCN(C)CC2 1556768048 KOMNHUFVPJFZJX-MRXNPFEDSA-N 418.563 1.996 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCNC(=O)[C@H]2c2cccc(C)c2)c1 1557639925 STXUWLRDGGUMKY-LJQANCHMSA-N 411.483 1.220 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC2CCOCC2)C(=O)OC)c1 1558132776 ZATOAFPJGXKVNB-QGZVFWFLSA-N 410.492 1.239 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](C2CC2)[C@@]2(CO)CCCO2)ccc1Br 1561602885 DRZILJLSECMFTH-HOTGVXAUSA-N 415.309 1.919 30 10 HDEE CC(C)O[C@]1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 1564546940 COMQYAUNDOOLRY-NQIIRXRSSA-N 400.479 1.937 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(=O)OC)c2ccncc2)s1 1570871315 JDPAIWUQKQCPFV-HNNXBMFYSA-N 423.516 1.571 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1583811245 AFQPYYLTXWAKTP-AUUYWEPGSA-N 412.471 1.289 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2N(C)C)C1 1587879003 MQPKLMZUIPBSRK-UHFFFAOYSA-N 407.522 1.838 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1588075168 ZRCUHEGYTHMNOO-KRWDZBQOSA-N 403.508 1.193 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOC 1588628046 CVFNSFKDFDSVCW-UHFFFAOYSA-N 410.478 1.407 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCOC[C@H]2C1 1589036632 MADYPRNNTIYHCY-GOSISDBHSA-N 413.547 1.841 30 10 HDEE C=C(C)COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1593703368 JJBNRVYLYZDFMD-UHFFFAOYSA-N 409.288 1.565 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CC#N 1603144481 CAHPXJDTGUKLSO-VQHPVUNQSA-N 409.556 1.980 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H](C)N(C)C)nnc12 1611588506 UCOCEIJAEJCKRJ-AWEZNQCLSA-N 414.535 1.779 30 10 HDEE CC[C@@H]1CCCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1614164945 ZDWOOGGRQLPRCW-KIJUOZEOSA-N 410.482 1.584 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1618048941 FMQKZUPAAIIMGB-UHFFFAOYSA-N 412.469 1.860 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(S(C)(=O)=O)c(F)c1 1622325295 QKJSVVBGLMLTDN-UHFFFAOYSA-N 405.469 1.195 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1623172119 ZGGHSYYDZMRLFM-GOSISDBHSA-N 404.486 1.756 30 10 HDEE COC(=O)[C@@H](Cc1ccncc1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1624981559 UEQOUPXYZXRYLN-JKSUJKDBSA-N 404.467 1.869 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)CC1 1625959530 DVZWNJJTEOVVIG-UHFFFAOYSA-N 423.439 1.861 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1627653217 XKEQVIDAXBAQEE-TWGQIWQCSA-N 404.438 1.668 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)S(=O)(=O)C1CCOCC1 1627790959 VGPDDJHRGPNETQ-QAPCUYQASA-N 405.520 1.578 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](c1nccn1C)C(C)(C)CO 1631193642 ATQLNBKYXWSATN-GOSISDBHSA-N 409.494 1.760 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCC4(CC3)C[C@H](O)CNC4=O)o2)cc1 1636317913 SXJKXJVPTMULSH-INIZCTEOSA-N 409.442 1.833 30 10 HDEE N#C[C@H](CO)NC(=O)Cc1cc(Br)cc(I)c1 1636604860 FFDQXVHWYWVJTP-SNVBAGLBSA-N 409.021 1.597 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)ccc2c1=O 1637479358 FTBGZIASGIKVLC-KGLIPLIRSA-N 419.528 1.378 30 10 HDEE C#CC[C@@]1(C(=O)NCc2nc([C@@H]3CCOC3)n[nH]2)CCCN1C(=O)OC(C)(C)C 1641745729 XUPVYAHMPWTUPP-VLIAUNLRSA-N 403.483 1.718 30 10 HDEE CN(CCN(C)C(=O)c1ccc(C#N)cc1F)CCN1C(=O)c2ccccc2C1=O 1641857249 QBVBRNYRQYKXPK-UHFFFAOYSA-N 408.433 1.997 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1642103383 XMFFUMFFVRYAQO-UHFFFAOYSA-N 407.492 1.288 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](CO)c2ccc(OC)cc2)cc1 1642357552 UYFULWLXJCTJIA-QGZVFWFLSA-N 402.472 1.113 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(OC)(c3nccn3C)CC2)c1 1644794995 IWRFLFZSACDGCQ-UHFFFAOYSA-N 418.519 1.662 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)n(C)c1 1645084744 DQIVKHNXMITFJB-OAHLLOKOSA-N 416.507 1.259 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1645771915 HQGSOSLOGZATQQ-UHFFFAOYSA-N 410.492 1.071 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCn3ncc(Br)c3C2)c1 1647765345 AXDBFXGBZXGDHY-UHFFFAOYSA-N 402.252 1.791 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(Cc3ncon3)CC2)s1 1652280288 WZFJLGSCFQNTMA-UHFFFAOYSA-N 410.521 1.619 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)c1 1653132535 NKMWQJACPYCVMS-CQSZACIVSA-N 411.480 1.432 30 10 HDEE C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC[C@@H](O)CO)c1 1653198892 BAEJVICNKKBFMS-OAHLLOKOSA-N 424.906 1.804 30 10 HDEE Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(=O)NC3(C#N)CCC3)C2)cn1 1655363758 ZIOCSMGDPFZOBC-JKSUJKDBSA-N 401.511 1.730 30 10 HDEE Cc1nc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)sc1Cc1ccccc1 1672921842 GQWUVAFIOBVTOE-UHFFFAOYSA-N 410.459 1.998 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 1673571858 CDPVCJKMVMEKDP-INIZCTEOSA-N 424.498 1.066 30 10 HDEE CN(Cc1ccccc1)[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CC1 1680393040 VBZANQOIKYQNLE-LJQANCHMSA-N 422.489 1.297 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 1682352597 PVWJQAYTNSYUQJ-LMMKCTJWSA-N 420.535 1.042 30 10 HDEE C#C[C@@H]1CCCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1684030328 VRTSNPFTOLGTFL-HZPDHXFCSA-N 413.540 1.465 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC1 1684464930 PGRMBQUZUFSGGQ-FQEVSTJZSA-N 420.517 1.944 30 10 HDEE C[C@H](C#N)CN(C)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685135005 BHKGTMAWKHTXSY-ZIAGYGMSSA-N 402.517 1.212 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1689999785 IIVDXFMDPAKSDA-AWEZNQCLSA-N 419.482 1.157 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cnnn2C)CC1 1690126246 XDNIIDXDCPGOMM-UHFFFAOYSA-N 410.913 1.454 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CCOCCCO)CC1 1690130884 PIHNKCRWSHHAJA-UHFFFAOYSA-N 422.533 1.504 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCCN(C)C(C)C)CC1 1690150565 MOORBGFBLCVYHX-UHFFFAOYSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C)C(=O)[C@H]1C 1690179244 RYOOTRLTQPBGJH-CYBMUJFWSA-N 404.565 1.667 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(C(N)=O)CCCC2)CC1 1690397116 VQKKUZFOTLSPNY-AWEZNQCLSA-N 424.571 1.336 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1CCn1cncn1 1690573969 KKNXACMJFZXWPS-UHFFFAOYSA-N 400.512 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2nccs2)CC1 1690667651 CEMIYFQAESIQQN-UHFFFAOYSA-N 412.523 1.749 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)C1 1690699667 HRYYYAJWOSILDR-OLZOCXBDSA-N 403.405 1.242 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3c(F)cccc3F)n2Cc2nnn(C)n2)C1 1690705965 GCSDCTBQAXHIQI-CYBMUJFWSA-N 416.436 1.500 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CC1COC(C)(C)OC1 1690722516 MDYWFERBYIMPCD-UHFFFAOYSA-N 423.539 1.709 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC(C)(C)O)S(C)(=O)=O 1691015754 FXDFALDRMHZWAC-KGLIPLIRSA-N 405.524 1.845 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1695496095 BXQYDGTYVQCCAL-QGZVFWFLSA-N 407.478 1.106 30 10 HDEE CCN1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1=O 1695861202 UKGJDNXIVQMYOP-LJQANCHMSA-N 424.505 1.681 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1696935967 JHDPQNONMBXVMG-MSOLQXFVSA-N 410.478 1.309 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CCC(=O)NC 1705491281 AKZILDHZZUMANM-JKSUJKDBSA-N 418.542 1.987 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@]1(N2CCOCC2)CCSC1 1705553574 SDYDPHWFMZQOLA-XLIONFOSSA-N 405.568 1.797 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)c1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705570516 OBFFNPHXJCBKHA-BBRMVZONSA-N 405.524 1.876 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@@](C)=O)CC1 1705584273 DMAIHZKQKCBAHH-GDLZYMKVSA-N 406.515 1.501 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1 1705603383 UEJDEYNLBXBOGT-UHFFFAOYSA-N 407.434 1.294 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(OCC)CCCC2)CC1 1705631722 OIUDNGZRCWUDPS-UHFFFAOYSA-N 414.554 1.619 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCOC[C@H]2C)CC1 1705635483 ZVABNSCXKYDCHN-CEXWTWQISA-N 405.543 1.430 30 10 HDEE CCN1C(=O)[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCCOC)CCN2C1=O 1710173932 SSSYHUKVRCYNDG-QGZVFWFLSA-N 423.477 1.326 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)C[C@H]1O 1711461341 NJDJCRWIDQACPM-RDTXWAMCSA-N 422.445 1.522 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)c1 1711916440 FRMDLFXNNJAXNX-PBHICJAKSA-N 417.491 1.117 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1712149860 HDYRFZVSMMLDBT-JKSUJKDBSA-N 423.420 1.937 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1712875499 DEDJNRHUOUDQPO-RLFYNMQTSA-N 411.503 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722274390 LZCPDOHPFUQOEQ-RCCFBDPRSA-N 416.570 1.860 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722314220 KABWJZAKEJZOCG-OAHLLOKOSA-N 403.512 1.057 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C 1722334545 YTLRGEDFQYLNOV-KRWDZBQOSA-N 422.537 1.532 30 10 HDEE C#CCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1722340115 NLBUTXZEJCTPCP-QGZVFWFLSA-N 401.442 1.361 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ncc(Cl)n1C 1722608658 JMPVHVYJXVMYPO-GFCCVEGCSA-N 415.951 1.878 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCOC1 1722676120 ZFDCUIKGKSQNOW-NRFANRHFSA-N 415.494 1.494 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2O[C@@H](C)C1 1722692489 NUEKGXLSFMDKTI-INIZCTEOSA-N 424.505 1.604 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC(F)(F)F)[C@H](C)C2)nnc1C(C)(C)C 1722704161 PIGZJLBGWBEVIY-CYBMUJFWSA-N 402.465 1.951 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)C(=O)NC)C1 1722709295 MVISZEJLCHEIPG-HNNXBMFYSA-N 404.515 1.068 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCOC2)C1 1722710919 QGVBYAMCAGTRHJ-DUXKGJEZSA-N 422.526 1.251 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@](C)(OC)C2CC2)C1 1722719787 ZXQLRIMOXXBIBI-MDYRTPRTSA-N 424.567 1.777 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1722747231 SGGHFLAITRZXHE-UHFFFAOYSA-N 406.450 1.695 30 10 HDEE C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1cccs1 1723959725 AUCXDZYMEJVQAF-AUUYWEPGSA-N 416.507 1.212 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555834 OXBMMSMBVUTIAY-DOTOQJQBSA-N 402.524 1.146 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740589468 ZTGPVCLQAGINKG-RBUKOAKNSA-N 413.570 1.247 30 10 HDEE C#CCN(c1nnc(C)n1CCN1c2ccccc2C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1740617687 VJVOLYWSYBVHEV-VQIMIIECSA-N 413.547 1.664 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CC[C@H](O)C1 1740661211 VDNCIFJGOJMCBD-FQEVSTJZSA-N 424.549 1.491 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)[C@H](C)CC)CC1 1740704743 SYZHBUGBSVGULM-QGZVFWFLSA-N 411.554 1.969 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1740716247 OLMNJMCGJIOEBT-TWOQFEAHSA-N 419.551 1.370 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCCN(CCC)C(=O)C1 1740884949 RNEQEAHOHYPLFP-UHFFFAOYSA-N 401.515 1.720 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCNC(C)=O 1740893193 AKXKULTWODVNBH-UHFFFAOYSA-N 420.539 1.344 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC(Cl)=C(Cl)C1 1740963333 HZCCKVHFQJDUTN-UHFFFAOYSA-N 413.309 1.602 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nncn2CC)C1 1740986469 YPZLEZLUMGRGBJ-JZXOWHBKSA-N 417.514 1.443 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1741003224 PSDNYGDMWWJLCH-ARFHVFGLSA-N 410.540 1.452 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1741133244 PIEGYIGHOOZEET-HUUCEWRRSA-N 410.544 1.397 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)C1 1741984076 GQMSNZGZFSCQLU-LJQANCHMSA-N 415.523 1.506 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2COCCO2)cc1OC 1748669115 AVBWJCJKCNNRHH-HZPDHXFCSA-N 415.450 1.106 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCC(=O)N(CC)CC)CC1 1748983798 DORQFRPGKFZRCH-UHFFFAOYSA-N 411.554 1.687 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ncnn2C(C)(C)C)CC1 1748992954 LHFHZVJNJTVAIE-UHFFFAOYSA-N 419.537 1.414 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(OCC)cc2)CC1 1748994650 LTJBUZKMSFJLFS-UHFFFAOYSA-N 422.533 1.603 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@@H](O)C2)CC1 1749019158 NAVHKRGSQSHBSZ-QXAKKESOSA-N 415.538 1.647 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1749037073 AWHCJSJSBPZWRJ-MBOZVWFJSA-N 406.552 1.923 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749037244 CFRDUAFGCXVUMS-ZWKOTPCHSA-N 416.551 1.640 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1749199394 ODABSVDGFHVJSU-CYBMUJFWSA-N 414.432 1.481 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1749452160 PYSYRDCQMCRHLQ-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)N1CCCCC1 1749597430 GKJHGCFKCATDDC-MRXNPFEDSA-N 404.515 1.271 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C)[C@@H]1C 1749658281 MQNDVUYDHBFIHB-GJZGRUSLSA-N 407.482 1.458 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749659150 WCJSGYSBNGZJMO-HNNXBMFYSA-N 413.438 1.418 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1749668869 FVSWMTLBTQPONO-AWEZNQCLSA-N 403.487 1.438 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H](C)C#N 1749721439 JXSLJOYWRURMQV-CQSZACIVSA-N 417.495 1.122 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749729837 UERSLUSBKLFUNQ-CALCHBBNSA-N 420.491 1.116 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(Cl)nc1 1751208389 WPYCXDVRUPCXJF-VXGBXAGGSA-N 411.919 1.723 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1760117688 SALDWGYKPNNDKP-NVXWUHKLSA-N 402.520 1.889 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1760154390 DJQLPAUJYJKQHL-ROUUACIJSA-N 405.568 1.658 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1760170453 CVVTZLKRSRUUEX-UHFFFAOYSA-N 406.446 1.528 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1Cc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1760182024 ARUGOJVBXAPKAD-INIZCTEOSA-N 414.491 1.255 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760334666 KSJKUABRHMRMNO-AOIWGVFYSA-N 414.510 1.596 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NCC)CC1 1760350036 OUIFZDSSIQUKHE-UHFFFAOYSA-N 422.537 1.351 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760410570 JJNCARXTUWNGDJ-UHFFFAOYSA-N 424.509 1.858 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(C(N)=O)CCOCC1 1760503852 QQRKENAWSUBBRA-MRXNPFEDSA-N 407.515 1.093 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ccc(C)cc2)CC1 1760522941 HIZCKDDEGVHKMK-UHFFFAOYSA-N 418.505 1.672 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC2(CS(C)(=O)=O)CC2)C1 1760547434 KUVREEFFJMCUAP-JKSUJKDBSA-N 410.540 1.736 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1760559017 HPRXLDFZBKMOJY-UZLBHIALSA-N 421.567 1.818 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1768286970 HSTLAICIQYWHGW-GOSISDBHSA-N 421.502 1.035 30 10 HDEE COC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1769485052 DMRHGWFEFNBOKB-LSDHHAIUSA-N 414.466 1.962 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1771267232 GCEUCPHXFGUGJI-INIZCTEOSA-N 412.494 1.537 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1772567392 FQXHNPZGDZUYDB-KRWDZBQOSA-N 402.543 1.981 30 10 HDEE Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cnc(C#N)nc3)CC2)c1C 1848542195 UIZNRJPPAWPDMF-HXUWFJFHSA-N 418.501 1.919 30 10 HDEE N#Cc1ccc(C(=O)CO[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1849316458 ADMRZZGCQGGLEX-WOJBJXKFSA-N 403.438 1.769 30 10 HDEE N#CC1CCN(CCNC(=O)CNS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1850004038 FDWUEKOAVHEUSC-UHFFFAOYSA-N 419.334 1.623 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)CCCN3CCS(=O)(=O)CC3)CC2)c1 1850744306 LVLWRLQDDSPFJF-UHFFFAOYSA-N 420.535 1.081 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cn2cnc3ccccc3c2=O)CC1 1851201849 GTOUGUXBBVJONK-UHFFFAOYSA-N 418.457 1.029 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(Cl)cc3)C2)NC1=O 1851239250 RREPYFXPVHHMDG-CYBMUJFWSA-N 416.865 1.052 30 10 HDEE N#Cc1ccc(C(=O)COCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1851677131 GYLRMRUFDNPHAO-UHFFFAOYSA-N 413.499 1.764 30 10 HDEE C=CCN(C(=O)CN1CCN(C(C)=O)CC1)c1cc(C(F)(F)F)nc(SC)n1 1852534141 KAXOTQCYURLIKL-UHFFFAOYSA-N 417.457 1.900 30 10 HDEE Cc1nn(C)c(C)c1CCCC(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1852610171 LEKLAUPZBOANPF-UHFFFAOYSA-N 420.521 1.889 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4cccnc4)C3=O)CC2)CC1 1853678978 ZSESOEQACJOUNU-IBGZPJMESA-N 409.490 1.297 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)C4CCCC4)C3=O)CC2)CC1 1853730387 OKARIEIVZAKKOL-LJQANCHMSA-N 400.523 1.778 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@H](C2CCN(CCN3CCOCC3=O)CC2)CC1=O 1853903484 PUUSAMJOGJYANA-PKOBYXMFSA-N 405.539 1.535 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccc(OC)cc2)C1=O 1854131639 OMDFJHOMNQAFMQ-WOJBJXKFSA-N 413.518 1.864 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cn1 1854317154 HIUQIPKJQHXTQA-KRWDZBQOSA-N 407.430 1.251 30 10 HDEE Cc1nc(C)n(CCC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)n1 1855142748 NTTMSTPVKBSJDY-CQSZACIVSA-N 408.462 1.099 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)C(=O)C1 1855547036 XFKKYNHSPNHWND-UHFFFAOYSA-N 400.504 1.988 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H](N2CCC[C@@H](n3ccc(=O)n(C)c3=O)C2)C1=O 1855627210 YAGVZYUPAAYJTN-IAGOWNOFSA-N 402.495 1.058 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cccc(Br)c2)CCN1S(=O)(=O)CC#N 1856025895 RCLVZDRUNGINQN-UHFFFAOYSA-N 414.281 1.365 30 10 HDEE CCOc1ccccc1CCC(=O)N1CCN(S(=O)(=O)CC#N)C(C)(C)C1=O 1856047997 XWAHQXMJBBWTEM-UHFFFAOYSA-N 407.492 1.321 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(=O)[C@@H]1C 1856293360 PSNKMMDRNDUTOS-GJZGRUSLSA-N 406.508 1.302 30 10 HDEE Cn1ccc(C(=O)N2CC[C@@H](N3CCC(COc4cc(C#N)ccn4)CC3)C2=O)n1 1857010061 IGDBTGKORNDMLI-GOSISDBHSA-N 408.462 1.219 30 10 HDEE CS(=O)(=O)C1CCN(C[C@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1857206014 VTGSZXZZLFIPFW-GOSISDBHSA-N 417.531 1.375 30 10 HDEE COc1cc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)ncn1 1857487593 AYYJKGXAOLYSPP-UHFFFAOYSA-N 407.430 1.303 30 10 HDEE CN1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC(=O)Nc2ccccc2C#N)cc1 1859117726 ZGWWMMFAZKSNOW-IBGZPJMESA-N 405.458 1.959 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 1873841123 MRLUWDXSZALVJW-AABGKKOBSA-N 420.513 1.891 30 10 HDEE Cc1c(CCC(=O)NCCCN2CCOCC2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873908043 GILLZNYJMZJAEC-UHFFFAOYSA-N 421.501 1.732 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS)C(=O)O 1885479903 VRGOGMUSMVAEGS-LSDHHAIUSA-N 411.524 1.511 30 10 HDEE COc1ccc(F)cc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889352830 BEIQMVJCPFBKIB-UHFFFAOYSA-N 403.498 1.706 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@H]3C#CCN(C)C)C2)cc1 1890892798 BICGGPSIEHMJEL-WOJBJXKFSA-N 417.575 1.952 30 10 HDEE C#CCCN1CC[C@@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2083719322 CWGCWPFMBZMZNK-MRXNPFEDSA-N 403.504 1.080 30 10 HDEE CN(CC[S@@](C)(=O)=NS(=O)(=O)N1CCC[C@@H](C#N)C1)C(=O)OC(C)(C)C 2118170465 QYCMKAYGPGZNRY-ZJWNCGCPSA-N 408.546 1.431 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC(C#N)C2)[C@H](C(F)(F)F)C1 2174771783 RIGWHKMOXVMUIH-VXGBXAGGSA-N 412.434 1.322 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C[S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174784278 MFYYZGAUEOPBIE-XCCJYZISSA-N 420.557 1.478 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@](=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195290795 GQJWGOPZEVNWHP-PFUSGODGSA-N 402.513 1.411 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2243389562 VIQIUASRQKKVTQ-ZIAGYGMSSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)NC1(C(N)=O)CN(C(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2243389966 ZIPYGGWXHVTFKD-UHFFFAOYSA-N 409.292 1.204 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244549966 LKUQCVPMKCKHPZ-OAHLLOKOSA-N 410.320 1.793 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859910 YTNKZPWIGORAAO-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C#CC1CC(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)(C(=O)O)C1 2266562274 RTSOLZPVWBWKCJ-UHFFFAOYSA-N 418.471 1.239 30 10 HDEE CNC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356163 XIBOYXFDWBJPGN-QMMMGPOBSA-N 408.738 1.114 30 10 HDEE CN(CCNS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282066549 JYXJZCUYCWDZFT-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@H](CN)C3)cc2Cl)OC1(C)C 2282303847 BOBIURXOIQCDLT-SNVBAGLBSA-N 422.765 1.049 30 10 HDEE CC[C@H]1CNCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338220 PZVSSZQIRYMEQJ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(F)C[C@@H](CN)C3)c2)OC1(C)C 2282415650 KMLMHZIIFXJIRG-AITUWYQGSA-N 404.338 1.403 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282496871 IUAMFVHRQLNFBX-OLZOCXBDSA-N 401.359 1.856 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)Cc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282513115 XSXOIDHJOBUOLY-VWLOTQADSA-N 401.359 1.126 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCN3CCOC3=O)sc2Cl)OC1(C)C 2282621114 ODFMWPVKSAFTLQ-UHFFFAOYSA-N 400.693 1.883 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H](C)NC2)sc1B1OC(C)(C)C(C)(C)O1 2282825712 LRGQKNVHEHEWTK-CHWSQXEVSA-N 400.375 1.775 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1N 2282826402 RCWOBAZENBFDCU-CHWSQXEVSA-N 400.375 1.904 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC(CCN)C2)c1B1OC(C)(C)C(C)(C)O1 2282846896 QOXHWOPIOACVIG-UHFFFAOYSA-N 400.375 1.633 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCO[C@@H]3CCOC3)s2)OC1(C)C 2282848193 KJQBFLIBBZYTJP-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE CC1(C)[C@H](CN)C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852919 WEILXVPBDVRPAK-NWDGAFQWSA-N 400.375 1.699 30 10 HDEE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856896 AABXVXZAPUGASQ-LLVKDONJSA-N 402.347 1.050 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282869333 AWEMCZKSRMZXAD-STQMWFEESA-N 401.359 1.686 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCc2cnns2)c1B1OC(C)(C)C(C)(C)O1 2282870214 ONBYITHAFFTFNN-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE C=C(CS(=O)(=O)N[C@@H](C)C[C@H]1CCCS1(=O)=O)B1OC(C)(C)C(C)(C)O1 2282872732 AQVOKTQOWMKPBF-UONOGXRCSA-N 407.363 1.449 30 10 HDEE CN(C1(CN)CCCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282881923 DZLFGHUBECWLGV-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406054 SXLUKMKMRLYKGJ-JQWIXIFHSA-N 401.315 1.449 30 10 HDEE C[C@H]1C[C@]1(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284416567 ZPKWUZFNKRVNMI-VXJOIVPMSA-N 421.733 1.842 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CC2(C)OCCO2)n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c3ccccc3)C2)C1=O 2373198338 CAFZDSIUZXXXQE-NRFANRHFSA-N 413.430 1.530 30 10 HDEE COc1ccc(-n2c(=O)/c(=C\c3ccccn3)s/c2=C(\C#N)C(=O)NC2CC2)cc1 13147602 TZPMMDQSDLXSID-NTYCFPRQSA-N 418.478 1.084 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc(N(C)C)cc3)C2)c1=O 101764773 KOIBPJDUHZLQJS-MRXNPFEDSA-N 411.462 1.582 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc1 116630938 MGGQHYXVTOLFFR-SFHVURJKSA-N 411.487 1.768 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 238826241 DVATXZFTEZZNES-BFYDXBDKSA-N 413.478 1.182 30 10 HDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)N2CCN(C)CC2)[nH]1 253559964 AFNCTOFVOYWJBQ-VXLYETTFSA-N 419.559 1.511 30 10 HDEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccccc3[N+](=O)[O-])[nH]2)CC1 253575409 UNYIYZFWPMAZHS-LICLKQGHSA-N 404.456 1.025 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1ccn(-c2cccc(C#N)c2)n1 409854480 JXPBIXBEEPFOGZ-TVFCKZIOSA-N 408.414 1.309 30 10 HDEE Cc1ncc(S(=O)(=O)N2CC(=O)Nc3cc(Br)cnc32)cc1C#N 427792028 YUMCGWQRXOTQFD-UHFFFAOYSA-N 408.237 1.567 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(O)[C@H]4[C@H]5C[C@@H]6[C@H]7[C@@H](C[C@H]64)[C@@H]3[C@@H]75)cc2C1=O 428002725 ZHGUGLBSUJWIJP-XSBGJFAVSA-N 404.466 1.707 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 435054498 DAWHHWCYPUMGRR-GOSISDBHSA-N 415.563 1.601 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)NCc3ccc(C#N)c(OC)c3)CC2)n1 462478376 SMZFPDBGOPLNJF-UHFFFAOYSA-N 412.450 1.951 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCNS(=O)(=O)c1cccs1 503667037 PIDHWGQXOPYXJO-INIZCTEOSA-N 401.510 1.404 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@]23[C@H]4C(=O)[C@H]5[C@H]6C[C@@H]([C@@H]52)[C@@H]3[C@H]64)CC1 504003364 RURGMWGNIITAQQ-BQGWRVFTSA-N 416.437 1.782 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 508476816 HMJIPXSOKVWDJK-OLZOCXBDSA-N 406.503 1.240 30 10 HDEE C=CCN1CCC(NC(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)CC1 508484180 AWYYQIAVDYWFHZ-UHFFFAOYSA-N 404.536 1.423 30 10 HDEE C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 509204378 DQBBZNQLKYMQIV-OOVXXXAESA-N 402.879 1.819 30 10 HDEE COc1c(C)cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CC3)c2=O)cc1C 516374128 JVQMFNASRLNIEJ-UHFFFAOYSA-N 423.538 1.996 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3(N4CCOCC4)CCC3)c(C#N)c2N)cc1 542953234 KRZVYLPHFHKVOG-UHFFFAOYSA-N 422.533 1.938 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 544835265 GJMKYNUGNAHYNK-UHFFFAOYSA-N 414.473 1.766 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 549687787 HSUTZUZRKHYDTA-INIZCTEOSA-N 404.540 1.874 30 10 HDEE N#Cc1ccc(N2C(=O)C[C@@H](N3CCC[C@@H](CNC(=O)CC(F)(F)F)C3)C2=O)cc1 560414929 JEFYTUBFVZGWER-GOEBONIOSA-N 422.407 1.971 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)CC1 568918348 BXBOWYDLTPEUMO-YJBOKZPZSA-N 413.544 1.192 30 10 HDEE Cc1ccc([C@@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)c(C)c1 575018632 NDSNDUVESLQSNX-HXUWFJFHSA-N 412.471 1.811 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 581208934 ZOCCWWOOURBZQW-HUUCEWRRSA-N 421.441 1.900 30 10 HDEE N#CCN1CCN(C(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)CC1 610112802 XKCVGBONPHINSC-UHFFFAOYSA-N 405.252 1.103 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 610199791 MCIOZFNUVRWVSU-FQEVSTJZSA-N 411.462 1.656 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cc1 611645041 YYFNKJNCADVTEN-GOSISDBHSA-N 412.471 1.930 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(C)nn(-c4ccccc4)c3n2)CC1 617463395 MUWWDMBXEKXQBZ-UHFFFAOYSA-N 418.501 1.789 30 10 HDEE CCN1CC[C@@H](NC(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)C1=O 619843097 DGZJOKOEFJJUJU-LJQANCHMSA-N 406.442 1.813 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 669818267 KMZZEKHEZRVWSQ-QFBILLFUSA-N 412.542 1.244 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccoc2)c1=O 727417141 VRDAWZMJTISXPK-UHFFFAOYSA-N 415.515 1.491 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCOCC2)cc1 732455001 ABAMOJUKZMCRJQ-DNTCVELPSA-N 413.478 1.410 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc(C)c1C 732705989 KFWJXSADEISGFD-CQSZACIVSA-N 404.492 1.679 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 737305165 FRFCUYLLSJLTLS-ZCXUNETKSA-N 415.425 1.007 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OC1CCOCC1 739092147 YYECTDLXCNFNOT-SFHVURJKSA-N 412.490 1.690 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2OCC(=O)N(C)C)cc1C#N 747495987 WWJFYCVQGRQMGU-UHFFFAOYSA-N 424.457 1.597 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1=O 750640371 HAOGHDWBBSTBKC-VUAZUDAXSA-N 417.853 1.271 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1C(=O)c2ccccc2C1=O 754834360 KAINGJUFDFQFHT-KGLIPLIRSA-N 412.446 1.643 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2cnc(CC(C)C)s2)c1=O 758060140 ZVFOFBSKWFZJKK-UHFFFAOYSA-N 412.540 1.003 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 762426134 OKBKJYMTTCGJQV-ZOBUZTSGSA-N 422.532 1.230 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCN1C1CC1 763702764 WZVPKZKGXGEYTJ-SFHVURJKSA-N 403.508 1.108 30 10 HDEE C#CCN(CC#C)C(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 769933310 XADXVHHYXOGZEZ-UHFFFAOYSA-N 413.411 1.810 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C#N)n(-c3ccc(OC)c(F)c3)c2=O)c1 776755842 HHOLNKATMMOGPQ-UHFFFAOYSA-N 422.441 1.785 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](Cc1cccnc1)NC(=O)c1ccccc1 783617929 IXSHNFQJXFOCCE-GOSISDBHSA-N 401.488 1.140 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(NC(C)=O)ccc2OC)n1 788694644 SIWORUUDPDTCSX-UHFFFAOYSA-N 420.491 1.321 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(N3CCCS3(=O)=O)cc2)n1 788811170 QNCLYVMBFGWYDZ-UHFFFAOYSA-N 416.503 1.345 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)n1 788815569 PYFHGPXWPJBFSH-UHFFFAOYSA-N 409.895 1.862 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)n1 790105950 JDOLARMQYGVLMI-MSOLQXFVSA-N 414.487 1.196 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)NCC2(C)OCCCO2)cc1 792738349 CRYZTLUUFOVDEU-LTGZKZEYSA-N 410.496 1.774 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3COCCO3)n2CCc2ccccc2)CCN1C1CC1 802299935 NRFHGNGVQLKKLT-UXHICEINSA-N 408.506 1.785 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C)[C@H]1CCS(=O)(=O)C1 809807774 SEGYZLSVSCVGJF-AWEZNQCLSA-N 420.491 1.135 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)OCc1cccnc1C#N 813166178 KQHFRCRVRCMOCY-UHFFFAOYSA-N 401.444 1.640 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)cc1C#N 813682386 YTODJCZNKWHFQC-XJKSGUPXSA-N 410.496 1.564 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCN(C)C[C@H]3c3cnn(C)c3)CC2)c1C#N 849597298 RZJUSGUKLKIFTR-AEFFLSMTSA-N 413.551 1.441 30 10 HDEE N#Cc1cccnc1N1CCN(Cn2nc(N3CCOCC3)sc2=S)CC1 920303597 MPZOUFNPRMZQSD-UHFFFAOYSA-N 403.537 1.557 30 10 HDEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)Nc1ccccn1 1084113114 BINPIBZIOHCDEK-UHFFFAOYSA-N 418.870 1.923 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc4nccc(C(F)(F)F)n4n3)CC2)nc1 1125312578 CNPLGRRIPSHRNA-UHFFFAOYSA-N 401.352 1.977 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1131941409 QEJQPYDJSBUOJD-IBGZPJMESA-N 420.531 1.835 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCCc4c(O)ncnc43)C2=O)cc1 1132574018 YIZHTSCIHZEBNB-HNNXBMFYSA-N 406.402 1.238 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N[C@H](C#N)C3CCCC3)CC2)c1 1132850697 ZOGIQWIFKARZNN-LJQANCHMSA-N 404.536 1.645 30 10 HDEE C[C@@H](C(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1)[C@H](C)S(C)(=O)=O 1136570320 DEQRVZFMLHKBRV-CABCVRRESA-N 400.504 1.824 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](N3CCCC3=O)C2)s1 1136755785 HWQBTIWKKKBZFW-AWEZNQCLSA-N 411.549 1.368 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)OCC 1139432176 UFLYMWPFTBEBOQ-AGIUHOORSA-N 419.906 1.595 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1)C(=O)OC 1141995844 ZWLOYZRGHBKMAO-GJZGRUSLSA-N 407.264 1.735 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)NCc3ccco3)c2)nn1 1142655456 CKAPBJLLFJTPKW-UHFFFAOYSA-N 401.448 1.466 30 10 HDEE COC(=O)[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CCO1 1144073405 WDMPRAYQZRJVDM-OAHLLOKOSA-N 408.252 1.157 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1ccc(S(=O)(=O)N3CCC(O)CC3)cc1)C2 1144338722 QEFQELSZOKVXHW-UHFFFAOYSA-N 411.483 1.860 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)NC[C@@]2(CO)COC[C@@H]3CCCN32)o1 1159858281 AYWFSJUOYHJRKJ-HTAPYJJXSA-N 411.458 1.686 30 10 HDEE C#CCOc1ccc(C(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1162121024 DUAMQTIMNWPZLQ-UHFFFAOYSA-N 417.443 1.657 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)cc1 1162411416 QFKAJYAELIZEBG-GOSISDBHSA-N 414.443 1.356 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1163990114 NDPTUFDCVWTVIU-UHFFFAOYSA-N 401.261 1.049 30 10 HDEE COc1cc2c(cc1OC)S(=O)(=O)N(Cc1ccc(C#N)cc1[N+](=O)[O-])C2=O 1165619770 BBDMBLAIYXOBFR-UHFFFAOYSA-N 403.372 1.828 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1C[C@@H]2[C@@](C(F)(F)F)(CCCS2(=O)=O)C1 1176837342 MCFFLEGIQYBVPR-SJXGUFTOSA-N 409.474 1.871 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1 1177759012 JUADNKBHUUOTTP-IERDGZPVSA-N 404.511 1.746 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190986403 VOKGVBXYSRNXGQ-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)cc1 1230577622 UYYPSVVZQCVXCC-UHFFFAOYSA-N 414.473 1.833 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@]34OCCC[C@H]3C4(F)F)C2=O)cc1 1248374778 FMFCHGZBBISVHR-MDZRGWNJSA-N 404.417 1.773 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 1255292077 GUIGXFLXVJYNGV-GOSISDBHSA-N 420.558 1.357 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)N(CC)c3ccccc3)cc2C1=O 1255723718 YDNFEYPHAUZHPP-UHFFFAOYSA-N 413.455 1.970 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1nccn1C(F)F)[C@@H]1CCS(=O)(=O)C1 1286382329 ADTBHJKQGQPRGE-CYBMUJFWSA-N 412.466 1.668 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1Cc1ccc(F)cn1)[C@@H]1CCS(=O)(=O)C1 1286396106 VKRMNWLGJPZXEY-QGZVFWFLSA-N 405.499 1.686 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(C)cc2)CC1 1286479911 PWXHQQCOVDJYBX-HXUWFJFHSA-N 422.533 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@](C)(O)C(C)C)CC1 1286491291 MBGVABJAMYYRJQ-QHCPKHFHSA-N 424.549 1.637 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1286526717 WUXPVDGWKJIYKS-HNAYVOBHSA-N 405.524 1.046 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1286665739 NARGGCVGQQHWMH-IAGOWNOFSA-N 409.556 1.814 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1288126150 NRCNNLLRCYZSHP-ZLGUVYLKSA-N 416.526 1.884 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(C#N)o1 1288782833 WLIBMUFMCXVXGT-NWDGAFQWSA-N 410.525 1.343 30 10 HDEE CCN(CC(C)C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1295285227 LWBJYUYFPAKGAJ-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1297797464 XTTUVFYIZIADBV-WQIZZMQYSA-N 404.452 1.351 30 10 HDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 1298587469 ZSXLVBNKRCVIKA-ZDUSSCGKSA-N 405.303 1.504 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CC1 1299273899 GMFMLLUAAABSKR-CRAIPNDOSA-N 409.494 1.703 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CC 1300664629 SFAJBGVKYYEGOM-INIZCTEOSA-N 414.510 1.576 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1300665762 PZRHBJRQRYQHTI-IBGZPJMESA-N 412.538 1.783 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC)[C@H](C)C1 1300856320 AMQQYRGVGJLSIG-CQSZACIVSA-N 411.348 1.840 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1300949365 VBBJHHWNBNJRHQ-QGZVFWFLSA-N 412.469 1.907 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1301308917 MLYYHFVMKXRRQO-INIZCTEOSA-N 401.492 1.786 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@H](Oc2ccccn2)C1 1301490834 GBADKZWZYOKCPX-INIZCTEOSA-N 405.462 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C)C1 1301492272 COKUTGQNONKWAK-CQSZACIVSA-N 401.467 1.490 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2CCOC[C@@H]2C1 1301615552 OZDAUISASIPEFO-SFHVURJKSA-N 400.552 1.704 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NOc2cccc(C#N)c2)cc1 1302371083 CGQBBFDDBISKGU-UHFFFAOYSA-N 402.432 1.295 30 10 HDEE N#C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCC2(F)F)CCO1 1303008894 BSXDDYXTUOQXDQ-LSDHHAIUSA-N 408.453 1.955 30 10 HDEE CC(C)c1ccc(N2CC[C@H](C(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)C2=O)cc1 1305590757 SAOUFZKMTIUOAN-GOSISDBHSA-N 421.457 1.380 30 10 HDEE CN(C[C@H](O)CN1CCN(c2oc(-c3ccco3)nc2C#N)CC1)CC(F)(F)F 1307541892 LLBFPFFFYJVTBN-ZDUSSCGKSA-N 413.400 1.783 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(F)cc1C 1312919133 QZRPDTOWNDUOKH-LPHOPBHVSA-N 401.486 1.421 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1314914898 CQZPFGFUFHVWMI-OAHLLOKOSA-N 400.464 1.420 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc([C@H]4CC(=O)N(C5CC5)C4)no3)C2=O)cc1 1321108170 DLRWBCWAAQFVCQ-XJKSGUPXSA-N 420.429 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCCO1 1357662380 JUSPWPKFMGNLND-SFHVURJKSA-N 412.515 1.991 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1358905222 VQHNFTLRDBOKBF-YQQAZPJKSA-N 409.556 1.696 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358944613 ACTJCIHPZZYMKM-WMZOPIPTSA-N 414.535 1.614 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1358961987 IAYLBCGGTMPAHT-WBVHZDCISA-N 404.492 1.788 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC[C@H]1C 1358984234 NHDWPGFPOKXCAQ-GOSISDBHSA-N 414.554 1.380 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N(C)C 1358989227 UPRLAKNORZRKGH-KRWDZBQOSA-N 403.494 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC=C 1358994410 MWUYMMIIJFMBPW-IBGZPJMESA-N 405.458 1.556 30 10 HDEE C#CCSCCn1c(Cc2c(F)cccc2F)nnc1N1CC[C@H](C(N)=O)C1 1359057825 JUDVSUODIOZRCH-ZDUSSCGKSA-N 405.474 1.825 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2CCOC[C@H]2C1 1359228913 SLUQXWPMBYTUBV-LJQANCHMSA-N 415.542 1.253 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1359299856 OKVGKPJDXOWCAR-OAHLLOKOSA-N 415.498 1.932 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(C)CN(C)C2=O)C1 1359312371 TZNBAWVTMBFHGB-KKSFZXQISA-N 418.542 1.456 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359336583 VGPJVAQYHZHSLE-LJQANCHMSA-N 415.523 1.546 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 1435344011 ZTKCPDGZZIVHJX-UHFFFAOYSA-N 402.476 1.380 30 10 HDEE COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435679986 HORDQYNUTTZKAS-UNEWFSDZSA-N 419.865 1.744 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccc2cc[nH]c2c1)C(=O)NCCn1cnc(C#N)n1 1436180890 TYJNZSDCTSNZIO-KRWDZBQOSA-N 423.477 1.883 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2C(=O)OCC)s1 1442603277 QWJNYEBQWXFTOP-CQSZACIVSA-N 400.522 1.699 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1nn[nH]c1C(=O)OCC 1455641090 PRCVEWLXKKAWFL-KBPBESRZSA-N 419.482 1.952 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N(C)C1CCN(CCC(F)(F)F)CC1 1463868116 AITCTESSOYDJSZ-UHFFFAOYSA-N 400.467 1.442 30 10 HDEE CC(C)(O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1464663627 CWTORDGACXJAIO-HNNXBMFYSA-N 404.898 1.480 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC)[C@@H](O)c1ccccc1F)c1cc[nH]n1 1465918048 KZHHXTLSEYNQFE-KDOFPFPSSA-N 406.414 1.461 30 10 HDEE C#CCC1(NC(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)CCOCC1 1468833714 JACBPHDRZCIFIO-UHFFFAOYSA-N 404.555 1.583 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)N[C@H]3CCN(c4cc(O)ncn4)C3)CC2)c1 1471523428 CTUMDRVWYUYYJZ-INIZCTEOSA-N 408.462 1.886 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)C1 1473526452 GETRIIOVGZENCY-RTBURBONSA-N 422.570 1.685 30 10 HDEE C#CCOCCNC(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1478294112 JJGGARZGJGLBKX-QEEYODRMSA-N 409.483 1.124 30 10 HDEE COCC1(CNC(=O)N2CCO[C@](C)(C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 1478620358 WCKLBDHQTNGTDG-LJQANCHMSA-N 410.515 1.974 30 10 HDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1503767575 DOWOBQJBCDDBCF-OAHLLOKOSA-N 412.494 1.726 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC(C)C 1507521253 LGJYPHLUBSMDAG-OAHLLOKOSA-N 405.524 1.739 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)c(F)c1 1507536848 FDSSTPRGTCDENZ-ZBFHGGJFSA-N 419.526 1.892 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1507592322 SBLXWGBGXYOEJP-HXUWFJFHSA-N 417.517 1.836 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507748666 SWQVMQRLTPQMLP-KRWDZBQOSA-N 419.576 1.830 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCCN(CC)C(=O)C1 1507796512 BASMFIBYYJUBAY-APWZRJJASA-N 411.510 1.775 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)c1cccc(O)c1 1508070802 DGSMEPPXAOVUTN-HNNXBMFYSA-N 412.494 1.719 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](NC(C)=O)C1 1508073710 MBMMVQXLEPICBL-HNNXBMFYSA-N 417.901 1.401 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCSC1 1508079498 XNYIIPUORUUBFI-OAHLLOKOSA-N 415.519 1.960 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H]([C@H]3CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1508097550 ITTQQHDMBKWRRY-XGHQBKJUSA-N 419.526 1.095 30 10 HDEE CN(C)CCNC(=O)[C@H]1Cc2ccccc2CN1C(=O)COc1ccccc1C#N 1515923622 AFMXDSYEXBFATM-HXUWFJFHSA-N 406.486 1.568 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1520652817 DGNXNVZXEKUDGW-DNVCBOLYSA-N 424.505 1.712 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCS2(=O)=O)CC1 1521149820 ZIMBNNQNMNEFBQ-MRXNPFEDSA-N 408.528 1.295 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1533250226 DEDAPXXGAFAJRB-LJQANCHMSA-N 403.479 1.459 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2nn(C)cc2I)c1 1534302801 DNXRAGPORRYZNW-UHFFFAOYSA-N 422.226 1.717 30 10 HDEE Cn1cc(C(=O)N[C@@H](CC#N)C(F)(F)F)c(CN2C(=O)c3ccccc3C2=O)n1 1538301582 DFVWYRFNGQMWKG-AWEZNQCLSA-N 405.336 1.791 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1539216293 PYCQFNJHJSEDQT-MRXNPFEDSA-N 411.487 1.654 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCN(CCOC)[C@@H](C)C1 1539506026 OZMWXHYBXLCPRG-KRWDZBQOSA-N 400.552 1.863 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1539567422 WQNLADVQGMFREZ-DHIUTWEWSA-N 420.517 1.787 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)C)CC1 1539576751 ASLFQPHEVDDRFL-UHFFFAOYSA-N 411.348 1.953 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1539714327 BIMZVLWKGLQTKC-LSDHHAIUSA-N 414.535 1.903 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN2CCCS2(=O)=O)C1 1540891050 OFHNGEJVSPBTDY-KRWDZBQOSA-N 409.556 1.753 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCOC2=O)C1 1540891150 PYYRJNGMPXMLSC-DLBZAZTESA-N 405.499 1.796 30 10 HDEE CC(C)CSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1541593935 CKGIDBUJRRMWLQ-HUUCEWRRSA-N 413.569 1.298 30 10 HDEE CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)C(=O)Cn1cc(C#N)c(O)nc1=O 1543121467 HLASVMUIZBKBSN-UHFFFAOYSA-N 410.409 1.441 30 10 HDEE CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c(C)n1 1547036353 GHDOWFDIRHAQEF-IAGOWNOFSA-N 412.498 1.311 30 10 HDEE CNC(=O)[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)CCN1C(=O)c1cccn1C 1548369232 OMZKHFPRTGQFGR-KRWDZBQOSA-N 419.407 1.993 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)C[C@@H]2CC(=O)NCC1(C#N)CCC1 1557066253 MBRCVXAUIMXTKR-RRFJBIMHSA-N 411.524 1.467 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](Cc2ccccc2)c2ncon2)cc1 1557271332 QVQLIJGKZLKJSY-QGZVFWFLSA-N 411.443 1.320 30 10 HDEE C=CC1(CC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)CN(C(=O)OC(C)(C)C)C1 1558150969 JBMVNIQNNMIBIB-UHFFFAOYSA-N 402.455 1.189 30 10 HDEE C[C@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)c2ccc(Br)cc2C1=O 1558776482 WZWGUKYTODZSHF-LLVKDONJSA-N 420.263 1.870 30 10 HDEE O=C(CN1CCS(=O)(=O)[C@@H]2CCC[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1559836485 SXIJFEOZKBSBOE-DLBZAZTESA-N 414.449 1.825 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC1 1565057170 UOBIKWSDBBRWBK-MUUNZHRXSA-N 419.429 1.566 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)C1CCOCC1 1565106472 UEQYHCPTBXUAJO-LJQANCHMSA-N 408.520 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1565316601 VTBPMFOFNLRASC-INIZCTEOSA-N 400.483 1.794 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](O)[C@H](C3CCCC3)C2)cc1S(=O)(=O)NCC#N 1570254134 SPSMTMLSFSDGNL-ZWKOTPCHSA-N 405.520 1.810 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)CNC(=O)C2 1587702284 SGALLTWAVAJQCF-UHFFFAOYSA-N 421.505 1.835 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(C(=O)COC)CC1 1589569252 OJWZUVBLEUVXFI-LPHOPBHVSA-N 407.515 1.091 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCN(CC(=O)N(C)C)CC2)nnc1C(C)(C)C 1589580222 NGQQWOTUSABXRM-MJGOQNOKSA-N 418.586 1.767 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 1594733875 ZHXBVNXKSLCBBQ-QFBILLFUSA-N 422.555 1.707 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCS(=O)(=O)Cc1ccccc1 1594839680 QFFXUMHLARUGLG-UHFFFAOYSA-N 405.524 1.654 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238740 SVAKAJPYCXWMQZ-VFNWGFHPSA-N 401.463 1.908 30 10 HDEE C[C@H]1CCC[C@H](C)N1C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781270 RNLMHGDSSOWHCJ-KBPBESRZSA-N 404.467 1.013 30 10 HDEE C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)C(=O)O)[C@H]1C/C=C1\C(=O)OC[C@@H]1O 1615811944 LBWGMBCRIXRVEF-XTEMLMBBSA-N 422.474 1.598 30 10 HDEE Cn1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC(CC#N)CC2)n1 1618494954 CRNFHUYLFAWAAF-NVXWUHKLSA-N 413.530 1.899 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)c1ccccc1 1620025458 QCJCTBMCJPLQJC-BLIXFSHQSA-N 415.494 1.639 30 10 HDEE CS(=O)(=O)c1ccc(NCC(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 1623729849 DVDPMWHNFIDAIF-UHFFFAOYSA-N 416.478 1.862 30 10 HDEE NC(=O)Cn1cc(C(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1627107362 BWDROOUOCQJUGV-OLQVQODUSA-N 421.248 1.006 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C(F)(F)c1ncccc1Br 1628385804 FCGULMQUSKRXPD-ACCUITESSA-N 415.194 1.579 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 1632624172 OEDSAAVQDCAMEZ-IEBWSBKVSA-N 422.570 1.456 30 10 HDEE CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3c[nH]c4cccc(C#N)c34)cn2)CC1 1633095016 XYEDHHWBZSHDFR-UHFFFAOYSA-N 424.486 1.768 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)C1 1634554713 GYHZXFZRPUXJKJ-MJGOQNOKSA-N 403.548 1.935 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)c(F)ccc3[nH]2)CC1 1635993241 KCNUSRKFOUPLHO-UHFFFAOYSA-N 421.270 1.577 30 10 HDEE Cn1c(S)nnc1CCCNC(=O)COc1cccc(Br)c1C#N 1637658444 IZXQXKLRFFJWSK-UHFFFAOYSA-N 410.297 1.866 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2c(=O)n(C)ccn12 1638175240 WIENMHNWPCWXFP-CQSZACIVSA-N 418.498 1.636 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(C(=O)c4cn[nH]c4)CC3)cc2C1=O 1641848220 JKENIIFOEBKAEH-UHFFFAOYSA-N 407.430 1.226 30 10 HDEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C(=O)OCC)o3)CC2)C1 1643855681 ZCNVJIVQKKCUIJ-HNNXBMFYSA-N 422.503 1.729 30 10 HDEE CCOC(=O)c1ncc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1644910746 RVCZLWNEZAVWEZ-UHFFFAOYSA-N 420.516 1.698 30 10 HDEE Cn1c(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc(=O)n1-c1ccccc1 1645068040 MUADTPHVHUWIKN-QGZVFWFLSA-N 415.453 1.717 30 10 HDEE COc1cc2c(cc1O)CCN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1645570445 GAWUTVTXJHHCFN-ZDUSSCGKSA-N 415.471 1.524 30 10 HDEE Cc1cccc(-c2noc(SCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)c1 1648155447 GSGTVCAEQCBVNG-KBXCAEBGSA-N 418.500 1.534 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1C1CCCC1 1655802328 LMKUYHFTXPOEMF-KRWDZBQOSA-N 415.494 1.346 30 10 HDEE N#CCC(=O)N1CCN(Cc2cc(I)cc([N+](=O)[O-])c2)CC1 1658694024 QWOMDVKNIKJSLI-UHFFFAOYSA-N 414.203 1.757 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)cc1 1662041979 CQVXUAAUNRABME-HNNXBMFYSA-N 404.469 1.600 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)CCOCC1 1664298395 TXQOIEOHFCGBAQ-UHFFFAOYSA-N 404.410 1.830 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2CCc3c(O)ncnc3C2)cc1Br 1664768267 GPOKGZAJVIPHIA-UHFFFAOYSA-N 413.228 1.702 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)C2)[nH]n1 1671562096 OJRDZBHWFVYYCD-UHFFFAOYSA-N 419.445 1.777 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2cc(C(=O)N3CCN(C)CC3)ccc2OC)CC1 1673922290 YUDMSPAXBDEMKS-UHFFFAOYSA-N 400.479 1.075 30 10 HDEE C#CC[C@H](CO)NC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1 1681506263 SBLWKGCMGZWSDI-LJQANCHMSA-N 411.481 1.731 30 10 HDEE C#C[C@@H](NC(=O)N1CCOC2(CCN(C(=O)OC(C)(C)C)CC2)C1)[C@H]1CCCO1 1681816448 QFAZGYLIKXIGQX-IAGOWNOFSA-N 407.511 1.979 30 10 HDEE CN(C)S(=O)(=O)c1cccc(CNC(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1682738616 FCEXDAJXTMQYPF-UHFFFAOYSA-N 407.492 1.484 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1684078253 UMAJVIFQYSHXBV-JXFKEZNVSA-N 414.506 1.548 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@](C)(O)CC)c1 1689870285 JBVFVHCXJFGXLK-VGSWGCGISA-N 424.505 1.446 30 10 HDEE C#CCCCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1689895336 PZUSUKPAMHDWJL-IBGZPJMESA-N 420.517 1.128 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 1689982929 XGYUKLJMDDKCFP-INIZCTEOSA-N 402.476 1.033 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1690006758 ZLEDDBHBVVIGAF-UHFFFAOYSA-N 422.445 1.175 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCCS(C)(=O)=O 1690023819 HPOAOUSFFNFOOC-UHFFFAOYSA-N 409.515 1.858 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCC[C@@H](C)C1 1690032484 CBVFXBCBGWREPR-MSOLQXFVSA-N 420.583 1.083 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C(CC)CC)N(C)C)CC1 1690122695 ZVBAXHSNBBLVQA-MOPGFXCFSA-N 415.586 1.351 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2CCn2cncn2)CC1 1690142337 MDDPAPAPWCKLEL-UHFFFAOYSA-N 422.468 1.342 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1690148378 FFNDDLOGIJCLNN-ZWKOTPCHSA-N 400.571 1.927 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690167438 IHXOSFWXTIVDCV-HNNXBMFYSA-N 422.580 1.120 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1690170087 YUXTVTUNFQNTEK-HNAYVOBHSA-N 402.524 1.429 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1690334539 SLHDNELIMWRQFH-AWEZNQCLSA-N 403.830 1.820 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccn(C)n1 1690518785 VKQZCNCFOZKINV-UHFFFAOYSA-N 415.523 1.599 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CCCS(=O)(=O)C1 1690530367 MJIOXJIDSJWIPE-INIZCTEOSA-N 414.535 1.964 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CC2(CS(C)(=O)=O)CC2)C1 1690693750 FXKUCJYCNZNRTN-MRXNPFEDSA-N 419.551 1.890 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(CCN(C)C)CC1 1691001015 AWXATPIBFUJMEB-WMZOPIPTSA-N 416.574 1.099 30 10 HDEE CC(C)(C)OC(=O)N1CC(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C1 1691218473 RIFLKRNSQAIYGB-JKSUJKDBSA-N 418.498 1.725 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)C1 1692855073 UVYFEKFBNXJEDA-UWJYYQICSA-N 416.526 1.551 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCOC2)cc1 1698488018 ASNCONOIMJWSNX-MJGOQNOKSA-N 408.462 1.884 30 10 HDEE C#CCN(C)c1nnc(Cc2ccsc2)n1CCc1ccc(S(N)(=O)=O)cc1 1705555574 PWJNWQLRNQDMKZ-UHFFFAOYSA-N 415.544 1.890 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705562311 ZSCPEZVSMDNGBR-CVEARBPZSA-N 409.556 1.333 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1705624885 RXZGXOMZKODUDC-KRWDZBQOSA-N 413.503 1.337 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1CCN(C(=O)OC)CC1 1705626307 QNUDUUPEFPNVSD-UHFFFAOYSA-N 415.498 1.243 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(F)cc2)CC1 1705647550 IDMLIBPYAFDZAS-SFHVURJKSA-N 424.480 1.382 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C(=O)OC)C1 1705662796 LSMVSPGEAIGXLX-INIZCTEOSA-N 424.530 1.882 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1705662998 SHQMNVMUCHLOEM-SJLPKXTDSA-N 401.536 1.870 30 10 HDEE C=C(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](C1)[C@H](NC(=O)OC(C)(C)C)CS2(=O)=O 1705721799 ZTZYUCRIRQNYLY-RBSFLKMASA-N 411.528 1.289 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCn2nc(C)nc2C1 1705825190 MCANIBWXPJJBKO-UHFFFAOYSA-N 400.487 1.027 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705899300 OHJHIVNMPDVTAX-ZDUSSCGKSA-N 409.487 1.256 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1705902658 KTJHMZSCNJXOSI-OAQYLSRUSA-N 408.462 1.115 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](C)N2CCOCC2)CCOC1 1710415706 BODLNFPRBBTRCL-ABSDTBQOSA-N 406.531 1.389 30 10 HDEE COCCN(CC(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1712437282 AIARQCKOEBJGAJ-UHFFFAOYSA-N 405.524 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1722278665 RUHBUQUMKULLEK-IRXDYDNUSA-N 418.567 1.873 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1722352954 MHSCOBWWZLPHFR-UHFFFAOYSA-N 401.377 1.045 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](COC)OC 1722355227 RERMYVBTKFYITA-CVEARBPZSA-N 423.514 1.317 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(C(=O)NCC)c1 1722424923 FHJJWLJKSDHQKI-UHFFFAOYSA-N 421.505 1.563 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CC2)C1 1722719913 CDFZPMYOJSTRLR-JWRCQZCYSA-N 418.567 1.832 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1cnn(CC)c1 1722727570 MUVADJLFDYKHLC-UHFFFAOYSA-N 418.527 1.132 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722871984 HZFQGNUKYAESJL-RRFJBIMHSA-N 416.448 1.989 30 10 HDEE Cc1coc(C)c1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1725020172 KWLKPIUFWBZLIB-KDOFPFPSSA-N 407.471 1.880 30 10 HDEE COC[C@H](F)Cn1c(C2CCC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730486113 GQWWNVSMEDBCBQ-MRXNPFEDSA-N 416.505 1.770 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 1730850830 JYTARTWKFOEXSB-QFBILLFUSA-N 407.515 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1740634869 HDTZKYWUBFWEPZ-KRWDZBQOSA-N 418.423 1.676 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCCc2cnn(C)n2)CC1 1740705980 PMHVUNBMCZQHTG-UHFFFAOYSA-N 412.542 1.204 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCCN(c2nccc(OCC)n2)CC1 1740711783 VLRQGTKIZPFHEA-UHFFFAOYSA-N 401.540 1.858 30 10 HDEE C#CCSCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723270 OJYAJPZDPWKFNX-YLJYHZDGSA-N 424.567 1.537 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(C)=O)CC1 1740763057 YAPPMHDVPMXQCB-IEZWGBDMSA-N 416.526 1.315 30 10 HDEE C=CCN(c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O)C1CC1 1740909782 ZLZSIUFQORTYMF-UHFFFAOYSA-N 402.524 1.839 30 10 HDEE C=CCn1c(N(C)[C@@H](C)CS(=O)(=O)CC)nnc1[C@]1(OC(C)C)CCOC1 1740950249 YICUBWKZMKFDAZ-YJBOKZPZSA-N 400.545 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCOCC2(CCC2)C1 1740989144 BBYNONOPHLMSRS-UHFFFAOYSA-N 417.535 1.948 30 10 HDEE CN(Cc1nccs1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747800597 UKKSAZQHDVSFTM-LBPRGKRZSA-N 418.504 1.786 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1748393195 QSOXHWCVGLCGBG-BTYIYWSLSA-N 410.478 1.623 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(Nc2cccnn2)CC1 1748757456 CMAGDOFUUAKKJP-UHFFFAOYSA-N 408.510 1.685 30 10 HDEE C#CCN(c1nnc(CC)n1CC[C@@H](OC)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 1748818114 VTEKPCIRHDKSID-QWHCGFSZSA-N 408.446 1.435 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)C(=O)NC 1748857551 CTERSHTVKUOBJX-GOSISDBHSA-N 407.474 1.636 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2cccn(CC)c2=O)CC1 1749004412 IKQLTLCHFDQZBU-UHFFFAOYSA-N 410.522 1.597 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2c(C)nn(C)c2C)CC1 1749015895 REYAIQYPARNRJS-UHFFFAOYSA-N 409.538 1.595 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1749677179 QPZIGDKULUNCGQ-OAHLLOKOSA-N 421.505 1.319 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1750090948 XNHKBCMTTSDSTK-LJQANCHMSA-N 424.505 1.681 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCO[C@H](C)C1 1750155037 WNORQUUOXVINMU-SPOLIRPYSA-N 419.526 1.936 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOCC(F)F 1751217291 BXCUFXDJRBIOQD-LRDDRELGSA-N 420.486 1.300 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1760175810 RVVBQHQLOXBBBD-ZWKOTPCHSA-N 411.510 1.061 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1760187052 SZPHWMKGCLUJEZ-HZPDHXFCSA-N 416.503 1.307 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN1CCc2sccc2C1 1760207197 ZPEQIQCGPJIWLD-UHFFFAOYSA-N 422.558 1.593 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C2CC2)C1=O 1760224567 PJDUEFZFULSDDX-NRFANRHFSA-N 400.527 1.667 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(C)(F)F)CC1 1760269018 VUPHPMORTMTPQW-AWEZNQCLSA-N 408.453 1.240 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1760280479 FVTKOSOXRVSPHY-SJLPKXTDSA-N 400.552 1.951 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1CCC(OCC(N)=O)CC1 1760304756 FVIUTQDGVXUHPL-UHFFFAOYSA-N 423.315 1.663 30 10 HDEE C=C(Cl)Cn1c(CC(C)C)nnc1N1CCN(c2cncc3ncnn23)CC1 1760376177 HSPGNHYXOURORC-UHFFFAOYSA-N 401.906 1.993 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1760383654 VRJKRRQFJMTZQY-GHTZIAJQSA-N 405.543 1.807 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1760481360 UOUXRHKZLHQQST-OTWHNJEPSA-N 411.506 1.962 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCOC(C)(C)C2)C1 1760534586 BSONGVGAPGDEJG-QGZVFWFLSA-N 420.558 1.308 30 10 HDEE Cc1nnc(N2CCC([C@@H]3CC3(F)F)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1762554414 YRCRTSDGNXUUNH-HYEKCJMVSA-N 406.437 1.985 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1([S@@](C)=O)CCC1 1763112582 SBSFOLJJPYSKCJ-GDLZYMKVSA-N 413.551 1.735 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1769324829 DDQBZKJXFMOXNL-INIZCTEOSA-N 411.510 1.110 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)CC1 1769418403 AJKNPZLMEZFEKY-UHFFFAOYSA-N 420.477 1.875 30 10 HDEE COC(=O)N1CCC(Cn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1769463241 GGPHBEANZNNTKG-DNVCBOLYSA-N 406.462 1.702 30 10 HDEE COc1ccc(N(C(=O)C2CN(c3ncc(F)cn3)C2)C(=S)N=CN(C)C)cc1 1851214747 JOBYSJODWAKPJW-UHFFFAOYSA-N 416.482 1.969 30 10 HDEE Cc1[nH][nH]c(=NC(=O)C2CCN(c3nccn4nc5c(c34)CCCC5)CC2)c1C#N 1851906352 GRIQHZZVPCLTEA-UHFFFAOYSA-N 404.478 1.788 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852051045 AMYZRVILNQVLEM-UHFFFAOYSA-N 401.370 1.966 30 10 HDEE N#CC1CCN(CCNC(=O)c2nc3ccccn3c2I)CC1 1852104534 MSDDKXHBRGAYOH-UHFFFAOYSA-N 423.258 1.904 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CO2)nc1 1852969645 UGUFXBBBQZHGOR-ZBFHGGJFSA-N 422.397 1.398 30 10 HDEE C#CCCN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCSCC3)c2)CC1 1853239850 QAANQLLFMOQWLZ-UHFFFAOYSA-N 407.561 1.205 30 10 HDEE N#Cc1cc(Br)cnc1NC(=O)C1CCN(S(=O)(=O)C2CC2)CC1 1853311206 NIABDIJMEGUILL-UHFFFAOYSA-N 413.297 1.858 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@@H]3CCN(C[C@H]4CCOC4)C3)CC2=O)cc1 1853659619 LWGVKBMBHKMQBH-NHCUHLMSSA-N 410.518 1.272 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1853790265 XKRJIDGHQZEYAF-SFHVURJKSA-N 403.504 1.522 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cccc3c2OCCO3)C1=O)[C@@H]1CCN(C)C1=O 1853828183 IUDOJVNVBFGXQL-DLBZAZTESA-N 413.474 1.308 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)n2nc(-c3ccc(OC)cc3)ccc2=O)C(=O)[C@H]1C 1854277555 LTAKOHYAHBPGER-CVEARBPZSA-N 410.474 1.725 30 10 HDEE C=CCCN(C)C[C@H]1CCC(=O)N(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1854683558 ZCHLXZHODZAXNC-OAHLLOKOSA-N 419.503 1.104 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C[C@H](C4CCN(CCC#N)CC4)CC3=O)C2)no1 1856150850 QDXMCMKVLWENNQ-MRXNPFEDSA-N 413.478 1.056 30 10 HDEE CC(C)C(=O)N1C[C@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)OC1=O 1856350340 QTQWLBQMWGDXIL-MRXNPFEDSA-N 405.476 1.962 30 10 HDEE CCc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)OC2=O)cc1 1856652870 HMFSIOVHODXFCY-QGZVFWFLSA-N 405.476 1.775 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2cccnc2Cl)C1=O 1856721962 NWIRGODGDLPELD-HZPDHXFCSA-N 404.898 1.514 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2nccc(Cl)c2F)C1=O 1856729031 VNXHXFVURCHYAT-ZIAGYGMSSA-N 408.861 1.724 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CS(=O)(=O)c2ccc(F)cc2)C(=O)C1(C)C 1856769192 XNEKGUXPSQAWLC-AWEZNQCLSA-N 409.483 1.741 30 10 HDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCOC)CCOC 1869929280 DYWJOCUBIYFQTO-RHSMWYFYSA-N 411.524 1.261 30 10 HDEE C=CCOc1cn(C[C@@H]2CCCO2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870386501 SENNROJEMWMVHW-SFHVURJKSA-N 405.495 1.866 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN(CC)CCO 1870740408 SNNXOPLVJOJFJE-UHFFFAOYSA-N 415.490 1.875 30 10 HDEE CCCCCCCCN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OCC)CC1=O 1872983374 NXJVPDRDIDROIJ-DLBZAZTESA-N 409.527 1.476 30 10 HDEE Cc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)cc1 1874338337 QOUBINQHKOAQRX-MNPVBQOISA-N 400.508 1.770 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@](NS(=O)(=O)CC2(C#N)CC2)(C(=O)O)C1 2166293115 WIZKBYZOCYVDCC-YVEFUNNKSA-N 401.485 1.358 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCC2)C[C@@H]1CO 2178914475 NVXLCHAVQKLBGL-HUUCEWRRSA-N 401.529 1.608 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243387418 UEBHKMZCFKKKMO-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243674288 HKDNXXBIMDCIAK-LLVKDONJSA-N 424.332 1.455 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247812378 PIMXIWFPTOXEDZ-KBPBESRZSA-N 422.287 1.590 30 10 HDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247823766 RFCKCUMXEBLSFF-INIZCTEOSA-N 415.299 1.359 30 10 HDEE C[C@@H]1[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCN1C(=O)OC(C)(C)C 2247826809 ABYWMTDAMGPDGH-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2247933552 NMJXNNJZUPHOJL-AWEZNQCLSA-N 421.303 1.985 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250001018 QOHVTHSKMBFGIN-CVEARBPZSA-N 422.331 1.745 30 10 HDEE C[C@H]1C[C@@H](O)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267705085 VGCFRRPTWANPAO-VHSXEESVSA-N 407.750 1.845 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCCC[C@@H]1C1OCCO1 2282007306 BLLVUGGYPINOSX-CQSZACIVSA-N 405.304 1.395 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@]4(CO)C3)cc2Cl)OC1(C)C 2282304132 GTGXUMPRHPLCRZ-QLJPJBMISA-N 419.761 1.704 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCn3ccnc3)cc2Cl)OC1(C)C 2282305450 ZADXASKCTMGPOT-UHFFFAOYSA-N 417.749 1.876 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(F)CCOC1 2282316639 GBRYRXGPTOQUFZ-MRXNPFEDSA-N 405.322 1.763 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C)C[C@@H]1C 2282320531 JTYQGKSZTQGAQD-LBPRGKRZSA-N 400.375 1.680 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H]2CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282321480 XOMDFDBTQOILQB-ZDUSSCGKSA-N 400.375 1.586 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C(C)(C)CN1 2282332147 WWKHWVSFFNWVLY-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CCC[C@]1(O)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343955 SCBXPDXPJIJSDP-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE CC1(C)CCNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344284 KFWUGEMOFVLUOJ-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CCN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2282485337 KASKYGIMWFWLBM-NSHDSACASA-N 400.331 1.092 30 10 HDEE COC1(CF)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282498658 HKZMVKPFVLHZLL-UHFFFAOYSA-N 405.322 1.547 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499110 AGLIVURLFQEPOD-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE CN(C)[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282506571 UIMREPXOCVTLAD-ZIAGYGMSSA-N 400.375 1.559 30 10 HDEE Cc1nc(S(=O)(=O)NC[C@H]2CCCS2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282512691 VBRNVKQHORJGPM-GFCCVEGCSA-N 401.363 1.202 30 10 HDEE COCC[S@](C)(=O)=NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282546409 LMSDFVIEDLOACZ-SANMLTNESA-N 405.713 1.257 30 10 HDEE CSCC[C@H](O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282859496 NCUMHQBZVYWZIK-GFCCVEGCSA-N 421.415 1.830 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCO[C@@H](CCF)C2)OC1(C)C 2282860198 XCGOIDOLWLWCED-LBPRGKRZSA-N 405.322 1.796 30 10 HDEE CO[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)CSC 2282868967 VQBNNTFRISXRDB-CQSZACIVSA-N 401.359 1.642 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CC(=O)O)C3CCC3)c2)OC1(C)C 2288014743 QNTKHBKIHQAZAJ-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE O=C(O)c1ccccc1C=NNc1cnn([C@H]2CCS(=O)(=O)C2)c(=O)c1Cl 2322614430 AYTKVCUREBNQMF-NSHDSACASA-N 410.839 1.401 30 10 HDEE COC1(C#CC(=O)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)CCOCC1 2338343836 PSZXUILFGWADCJ-QFIPXVFZSA-N 401.459 1.918 30 10 HDEE COCC[C@@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)CCN(C(=O)OC(C)(C)C)C1 2365206567 HOBJSLHFEXCNBN-BEFAXECRSA-N 402.557 1.804 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2365209409 VPESXWVGXSBYIL-CVEARBPZSA-N 403.589 1.636 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365212368 PYLYCRHBWDPMPE-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCC[C@@H]1NC(=O)OC(C)(C)C 2365213113 VDGMPAXKAKSZHA-VCBZYWHSSA-N 402.557 1.599 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2365213544 VFNSTTUNQLHZLT-FXUDXRNXSA-N 400.541 1.283 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)[C@@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2367090111 BLLKIUSTAXEZBI-YZVOILCLSA-N 402.557 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cc1 5916372 YTCNYDHWNKJUKJ-UHFFFAOYSA-N 404.444 1.955 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)CC1 27900740 RTNBFHCTEMIKEK-QFIPXVFZSA-N 400.523 1.182 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)Cn1ncc(Br)c(Br)c1=O 53742677 ADZNYKPLICZPIO-QMMMGPOBSA-N 406.078 1.776 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(N)(=O)=O)cc(C)c3C)cc2C1=O 57469293 QZJUOMLWFIVHSL-UHFFFAOYSA-N 413.455 1.985 30 10 HDEE C=C(C)COc1ccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCCC)cc1 66062076 HDQJCSICXNGWOM-GOSISDBHSA-N 403.479 1.724 30 10 HDEE Cc1ccc(N2C(=NC(=O)COCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1C 254382461 ZDMBMAQWDXCZAD-UONOGXRCSA-N 412.489 1.006 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254513949 JJCBBYLBKQSFNG-LSDHHAIUSA-N 424.500 1.746 30 10 HDEE C#CCn1c(=NC(=O)c2ccc(C(C)=O)cc2)sc2cc(S(N)(=O)=O)ccc21 254616850 FWDZNZODYMDBQH-UHFFFAOYSA-N 413.480 1.927 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 410217919 IFYLKZBGIMDMME-BZSNNMDCSA-N 406.508 1.359 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1 434301788 RTHLQMAZAZIJEH-HIFRSBDPSA-N 419.425 1.654 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3CCCNC3=O)c2)CC1 438545627 KRBLUBSQMWXPTN-UHFFFAOYSA-N 400.483 1.058 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)c1 442295464 RISWMTQYPROLJK-LJQANCHMSA-N 422.441 1.389 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 460389956 ROOLKRAAXAYQHP-UONOGXRCSA-N 401.558 1.129 30 10 HDEE N#Cc1ccc(OCCNC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 461204729 SKZRIUOICJNKNQ-NRFANRHFSA-N 418.453 1.529 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461744127 DOGQYAHVCPQRIZ-UHFFFAOYSA-N 410.459 1.831 30 10 HDEE COC(=O)[C@@](C)(CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 469652637 HULPHCUPKZPPCD-QFIPXVFZSA-N 407.474 1.916 30 10 HDEE N#Cc1cc(C(=O)NC[C@H](Cc2ccccc2)NC(=O)c2ccnc(C#N)c2)ccn1 475167363 BVISSUYGMDRLRQ-NRFANRHFSA-N 410.437 1.991 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486483465 AKBYSLDFGMALAL-FQEVSTJZSA-N 408.506 1.942 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)cc1C#N 490366922 MKJUYDNGUKHPEM-UHFFFAOYSA-N 417.535 1.587 30 10 HDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 497572819 IABMGAJXKWWYNZ-INIZCTEOSA-N 411.527 1.992 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCOC[C@H]2c2noc(COC)n2)c(OC)c1 501951450 GISNZJXWTXJKTR-HNNXBMFYSA-N 403.435 1.932 30 10 HDEE C[S@](=O)c1ccc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 506789672 JGSBLFBNRVHPRS-SANMLTNESA-N 403.529 1.802 30 10 HDEE C=CCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508839474 FVLUGCFAPFUAAL-UHFFFAOYSA-N 400.508 1.970 30 10 HDEE CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 511312134 AZQUTUKKZVUDKO-IAQYHMDHSA-N 405.929 1.598 30 10 HDEE Cc1cc(NC(=O)NCCOc2ccc(C#N)cc2)n([C@H]2CCS(=O)(=O)C2)n1 524706507 HMIDMCSEZOOWGZ-HNNXBMFYSA-N 403.464 1.623 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C1CC1 532820331 QDOCMOOYIMEZFR-JXFKEZNVSA-N 412.490 1.121 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CC[C@@H](NS(C)(=O)=O)C1 532975462 UZKUYEVIUMFSQG-QWHCGFSZSA-N 410.565 1.839 30 10 HDEE Cn1c(=O)c2sccc2n2c(CN3CCN(c4cccc(C#N)n4)CC3)nnc12 546208514 ATNUQOCNIIRZPE-UHFFFAOYSA-N 406.475 1.232 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CCCC(=O)Nc2ccccc2C#N)C1 552792318 BDPNIFKOMVLLNO-MRXNPFEDSA-N 406.508 1.549 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCC(NC(=O)C3CCCCC3)CC2)nc1 565780553 ANLXSHOIQKZUQC-UHFFFAOYSA-N 404.536 1.888 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)Cc1ccccc1 569037747 UDPZFAFBMJGAAP-KRWDZBQOSA-N 405.524 1.824 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCC(C2CCOCC2)CC1 571253774 PVXKFAMVRKAAFE-UHFFFAOYSA-N 422.489 2.051 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N(CC#N)c2ccc3c(c2)OCC(=O)N3C)c1 586247173 CBMGMGMOAPMRRY-UHFFFAOYSA-N 417.443 1.778 30 10 HDEE Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCN(C(=O)CC#N)CC1 590534912 DLUGHQJLUQYYGI-UHFFFAOYSA-N 414.491 1.027 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])s2)CC1 604399079 QKSLFDXNLDENBF-UHFFFAOYSA-N 409.449 1.904 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)cc3F)CC2)cn1C 609228682 MWFJOKCFFJUFJQ-UHFFFAOYSA-N 419.482 1.456 30 10 HDEE N#CCN1CCC(NC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)CC1 609341171 NWMYXKUDGAWCAM-UHFFFAOYSA-N 419.913 1.561 30 10 HDEE C[C@H](C#N)CNC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 609524961 PKCVZTHOVGYCBU-SNVBAGLBSA-N 402.270 1.078 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCC1(NS(C)(=O)=O)CCCCC1 611553515 LLZHFUSFRLCQQT-QGZVFWFLSA-N 401.529 1.616 30 10 HDEE CCn1nc2c(cc1=O)CN(S(=O)(=O)c1ccc(C#N)c(Br)c1)CC2 618998224 OBPINDPKJFPOIK-UHFFFAOYSA-N 423.292 1.644 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 669742067 NZFYETQLAURCTR-LJQANCHMSA-N 400.523 1.266 30 10 HDEE CC(C)NC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730143574 USKSDTCSQWHZTM-MRXNPFEDSA-N 419.551 1.211 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1cc(OC)c(OC)cc1C)[C@H]1CCS(=O)(=O)C1 731213688 NYTCZULIMMRGTD-CVEARBPZSA-N 408.520 1.312 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)OCC(=O)N3CCCC[C@H]3C(N)=O)cc2)nc1 732399308 LGMXZCZUQQMZBE-KRWDZBQOSA-N 408.414 1.769 30 10 HDEE C#CCCNC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1Br 733287811 QNTGHXZBYGQKGK-LBPRGKRZSA-N 415.309 1.660 30 10 HDEE Cc1noc(COc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)n1 734073354 HVGGNRCYPRYZNJ-INIZCTEOSA-N 410.434 1.094 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn(CCC)c2)c1=O 735068641 FNNFUQBEDRDNSU-UHFFFAOYSA-N 401.536 1.344 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 743204100 XOGJWIWBZCAXAA-SJLPKXTDSA-N 403.366 1.962 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 750680250 ZUXGHYJMTHJADT-HNNXBMFYSA-N 409.533 1.842 30 10 HDEE CNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1C 751922300 JHVMAVAHLMTZDM-GDBMZVCRSA-N 419.551 1.129 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3noc(C4CC4)n3)c2)CCN1C1CC1 756180453 KNNGGDKHIPSVPW-KRWDZBQOSA-N 406.446 1.751 30 10 HDEE CC(=NNc1ccc(C(=O)O)cn1)c1ccc(S(=O)(=O)N2CCNCC2)cc1 763372520 ZNHFPBUAJMILLG-UHFFFAOYSA-N 403.464 1.210 30 10 HDEE CCN(C[C@H]1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1)CC(F)(F)F 776137354 FQGNRKUZFXDUMD-UWZWCOGJSA-N 417.432 1.429 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H](OC(F)F)C1 781411840 CCYKMOOIXPADJB-LBPRGKRZSA-N 401.435 1.736 30 10 HDEE COc1ccc(COC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)cc1C#N 789113344 XDZSHZBCUZFESL-LJQANCHMSA-N 401.419 1.226 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c1 794112776 OHQIYRAZJIBEAF-UHFFFAOYSA-N 415.475 1.530 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)ccn1 795971486 QNAGMUKIKJEJIC-HNNXBMFYSA-N 419.484 1.387 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 800788094 VOEPSEFABSUBBN-MRXNPFEDSA-N 411.466 1.104 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(C[S@](C)=O)cc2)n1 805867965 VMYKTUAXFSHOSI-NDEPHWFRSA-N 402.520 1.753 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 808111686 QIMIWXQAYORJJK-AWEZNQCLSA-N 406.489 1.081 30 10 HDEE C#CCOCCNC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 812899690 UDLBEYNQNBPPEB-UHFFFAOYSA-N 408.543 1.799 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)[C@H](O)c1ccccc1 820092558 UPSPKPCCPLBAIJ-KUHUBIRLSA-N 401.488 1.696 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc([N+](=O)[O-])ccc2Cl)c(=O)n1C[C@@H]1CCCO1 917354319 QBGBTEOWUSAVFG-AWEZNQCLSA-N 416.846 1.677 30 10 HDEE C=CCc1cccc(C=NNc2nc(SCC(=O)N3CCN(C)CC3)n[nH]2)c1O 1083911733 SWPVNGATZJEHKV-UHFFFAOYSA-N 415.523 1.551 30 10 HDEE C=CCNC(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1084076065 KXUBWVULSOVODB-SECBINFHSA-N 421.439 1.656 30 10 HDEE C=C(Cl)CSC[C@H]1Nc2cc(Cl)c(S(N)(=O)=O)cc2S(=O)(=O)N1 1088722492 YAITXAVVYGYPAK-NSHDSACASA-N 418.349 1.503 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1128479760 HWLGBXWYIKMOSP-KRWDZBQOSA-N 403.442 1.606 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)Cc1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 1128796611 CQQVDLLLVDPMTN-GOSISDBHSA-N 406.533 1.716 30 10 HDEE CC[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1130078822 XGAIHOSVQFUQGG-HOTGVXAUSA-N 414.462 2.000 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)NN2C(=O)[C@H](O)c1ccc(C#N)cc1 1141545278 XRMUFTUJESVNDU-QGZVFWFLSA-N 414.462 1.625 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)c1 1157557992 VDKBTGAPGUVQSW-INIZCTEOSA-N 416.503 1.509 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1157929169 XLBWMDAYTADPAG-AEFFLSMTSA-N 424.480 1.678 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](CO)c1cccnc1 1162283629 AXJOAINTYKURAJ-QGZVFWFLSA-N 416.503 1.530 30 10 HDEE CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1180990402 RAHYSPCRPIZVSE-GOSISDBHSA-N 405.414 1.168 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)C[C@@H]1CCCCN1C(=O)OCc1ccccc1 1189623399 HLWOJHSKYYWZHK-OALUTQOASA-N 408.520 1.871 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1192130828 FUGMQZMTKBALGN-JTQLQIEISA-N 408.245 1.427 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1198086294 ZUGCENVWVMRVQX-ZYSHUDEJSA-N 413.540 1.009 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)OC)cc1 1211781307 NIHWXLRNEVKCKW-QGZVFWFLSA-N 422.503 1.841 30 10 HDEE COCCCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)CC1 1230202268 YVXWHZQDIZEJOX-LJQANCHMSA-N 420.535 1.629 30 10 HDEE C=CCCN(OCc1ccccc1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1251120766 LAHJVEBJAROAJI-UHFFFAOYSA-N 403.526 1.763 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 1252457834 FZLHMBABMDENIL-QLFBSQMISA-N 423.263 1.727 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)NCC[C@H]3CCCS3(=O)=O)CC2)c1 1252506040 AGSHDUVEOQRROT-LJQANCHMSA-N 404.536 1.789 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C1CCCCC1)N(C)C 1286276225 WOANURRDIXAVPL-BQFCYCMXSA-N 424.615 1.857 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286294386 WGNWMVJMXZIRFV-PBHICJAKSA-N 415.519 1.280 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1286322437 FATODHUDOHKVAT-KZNAEPCWSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H](c1ccccc1)N1CCOCC1 1286413551 KZRLNNHUDMBGRA-YADHBBJMSA-N 419.529 1.928 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1nncn1-c1ccccc1 1286459047 IXBUAJQPGHERLD-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1286462632 PRASOARDJWPZRC-UHFFFAOYSA-N 405.499 1.535 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN(C)CCOC)CC1 1286482019 LWQNHJPGSUXHKZ-UHFFFAOYSA-N 410.566 1.511 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(OC)c2)CC1 1286492378 JJPVIPADPXEJTL-UHFFFAOYSA-N 411.506 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286783452 RQKUAKLMRRTZBH-JOCHJYFZSA-N 424.505 1.841 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1286785713 QNKDRJAMUJZTSV-KKSFZXQISA-N 412.494 1.417 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CC(C)(C)O)C1 1286808948 OFHZHOGSTHDTCJ-OAHLLOKOSA-N 424.505 1.744 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1286823656 XKPMZFVLXHYLKB-KRWDZBQOSA-N 408.568 1.963 30 10 HDEE CC(C)OCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1288394868 BQYFTEZFGPRCOV-KRWDZBQOSA-N 403.508 1.865 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1288996005 MNGBAYLWGCXMLX-ZIAGYGMSSA-N 415.885 1.637 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CC(=O)OCC)CC2)s1 1289964899 KNOUWILZCFWHKJ-UHFFFAOYSA-N 414.549 1.947 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 1292488037 XESDRTQVQVDCLU-GOSISDBHSA-N 424.881 1.780 30 10 HDEE CC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1293519922 PMKXLCOFSCQEQY-UVTIVQHFSA-N 402.499 1.717 30 10 HDEE CCn1cccc(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1295937887 CCWIUQGYTWSWDP-HXUWFJFHSA-N 413.457 1.186 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NC(C)C)CC1 1299109548 GDRJFNWSPODLJC-UHFFFAOYSA-N 409.494 1.304 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1300315468 YAYQHCVRUWXTFT-WBVHZDCISA-N 422.455 1.985 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C(=O)NC)CC1 1300403518 MSDSGKRCASSAFE-UHFFFAOYSA-N 419.489 1.970 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1300504823 TYQZOGSSTBFUGT-SFHVURJKSA-N 402.520 1.798 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCCCC1 1300663479 CXOOQOOTAYBATG-ROUUACIJSA-N 402.543 1.437 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1301001785 NIQLIVKSIIEIRN-BMFAXAFESA-N 419.526 1.310 30 10 HDEE C=C(Cn1c(-c2cccn2C)nnc1N(C)CCNS(C)(=O)=O)c1ccccc1 1301007329 IELUGVIFDGDASG-UHFFFAOYSA-N 414.535 1.982 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc3c(Br)cncc3s2)c(=O)nc1O 1301212881 IJTOAJPNOUWSDQ-UHFFFAOYSA-N 420.248 1.623 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC(C(=O)NCCC)CC1 1301503303 YLCSUFMZMZLUAH-UHFFFAOYSA-N 404.559 1.912 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(CC#N)CC3)n2CCCNS(C)(=O)=O)n1 1304468092 AIXYCQRDYYLZRT-UHFFFAOYSA-N 417.539 1.718 30 10 HDEE CC[C@H](C)c1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1305448648 IQDLEDQBKBSKKG-STGLLQLASA-N 402.499 1.527 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC[C@@H]2Sc3ccccc3NC2=O)c1=O 1307274830 VCEANWWAYYJUJB-HNNXBMFYSA-N 400.460 1.047 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(CC(=O)NCc3ccc(C#N)cc3)C2)ccn1 1307889865 GCYUSQQQTQEZBN-IBGZPJMESA-N 407.474 1.472 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)N(C)C2CC2)CCOC1 1314138052 IAGRKRWVRFDVHY-RIFZZMRRSA-N 404.515 1.142 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(=O)NCC(F)(F)F)c1 1315565540 AFNOPPMUJNRHIJ-AWEZNQCLSA-N 424.383 1.361 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCCCN2CCC[C@H]2CO)CCO1 1316540882 OVENGGIHRITVDE-VQTJNVASSA-N 416.570 1.976 30 10 HDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@H]1c1ccc(F)cc1 1323955202 RBLKIWIAOWDVCL-UYAOXDASSA-N 416.478 1.537 30 10 HDEE N#CC1(CC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)CCOCC1 1349671312 WSDVWSCAZYGABU-UHFFFAOYSA-N 411.911 1.883 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@]1(C)CN(C)C1=O 1358890600 RXMWFSWZVKMXHO-AOMKIAJQSA-N 422.537 1.388 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1358930015 MLZVDBLZYYLSJV-INIZCTEOSA-N 415.498 1.047 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(N)=O)C1 1358933777 FGFNGRYLYQUACZ-CQSZACIVSA-N 400.508 1.385 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359121143 YZBQZRBIHBSOBP-MRXNPFEDSA-N 401.515 1.532 30 10 HDEE C=C(Cl)Cn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359157186 AZQGDIVGZQZCDQ-RVKKMQEKSA-N 400.907 1.921 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2cc(C)no2)CC1 1359165286 MABLDBMDVWGUJU-INIZCTEOSA-N 422.511 1.112 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1359271083 KQAROLKIYGKEON-ROUUACIJSA-N 402.543 1.909 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](COC)C1 1359301807 LORMQJXMLZLKHC-QGZVFWFLSA-N 403.458 1.162 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCNC(C)=O)C1 1359312115 NXOPUBVFFWDUOT-MRXNPFEDSA-N 413.482 1.233 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)C2CC2)C1 1359327287 XOIVELSFTKDAPY-QUJKESNLSA-N 406.527 1.944 30 10 HDEE Cc1cc(C)cc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1361041583 CTKZEUHLUJDYOZ-ZWKOTPCHSA-N 410.478 1.654 30 10 HDEE C=CCN(C(=O)[C@@H](CCOC)NC(=O)OCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1435068803 LRCJFPIFZHKHMA-QZTJIDSGSA-N 424.519 1.520 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C[C@H]2CC[C@H]1C2 1439612750 HXHZQDQGFKRGQA-IYNKWVJVSA-N 408.520 1.531 30 10 HDEE CC(C)N1C(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCOC4)cc2S1(=O)=O 1440043710 IPCZZGIXZOGIFH-UHFFFAOYSA-N 415.431 1.090 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C 1442974013 OLKCXRGMQIGETR-IRXDYDNUSA-N 408.543 1.352 30 10 HDEE CN(C)C[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1449064247 SIWQVMYVYSBQKK-SJLPKXTDSA-N 402.495 1.431 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1449530062 QWCJLIHHRVXULL-RBSFLKMASA-N 411.499 1.390 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C(=O)OCC 1464387843 YVEPMBQXAVHICO-HNNXBMFYSA-N 422.500 1.764 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NCc3ccc(CN4CC[C@H](O)C4)cc3)cc2)c1N 1469973025 GSDPPTMHOLOSQI-NRFANRHFSA-N 416.485 1.823 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1471125638 SUEGTZMXZRLXHW-DJJJIMSYSA-N 400.447 1.586 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(N)(=O)=O)c(Br)s1)C(=O)OC 1471125760 URRIVRZYUPAWGF-ZETCQYMHSA-N 411.299 1.396 30 10 HDEE CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)cc1 1471628713 CCNQAAMZQCHCOZ-GOSISDBHSA-N 420.579 1.781 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1475546383 LNKNYNFSJLKHSS-SNVBAGLBSA-N 410.311 1.169 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1478294458 GQTRKZDYUQAZNN-VQTJNVASSA-N 407.474 1.819 30 10 HDEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1494621028 DACVUEHTOIGJIT-CQSZACIVSA-N 410.507 1.847 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@H](C)O1 1499699774 HACYFBWRYPISIA-YOEHRIQHSA-N 403.508 1.865 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1503221552 SXXOWUKNLVNTTI-UHFFFAOYSA-N 408.466 1.407 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)C[C@@H](C)C1 1507563359 GGXZBRVNQPVSRY-FGTMMUONSA-N 423.583 1.897 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1507609915 AIJVSLSDXPANER-QFIPXVFZSA-N 422.489 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCCC1 1507652112 DMFLSGKYWMJUIP-UHFFFAOYSA-N 418.549 1.621 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1507656704 JFMREBAWOYAMLI-JPYJTQIMSA-N 408.502 1.685 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(C(=O)N(C)C)CCCC1 1507658087 BBFXNTLCWXRBTF-UHFFFAOYSA-N 412.538 1.528 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1507711242 RQWJAZYWTKKIKW-HNNXBMFYSA-N 423.926 1.363 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1507843520 NLIVPWXQESRJJH-ZDUSSCGKSA-N 407.906 1.845 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1508084743 AZEMKOQELSTFKX-CQSZACIVSA-N 401.467 1.214 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(N2CCCC2)CCOCC1 1509577224 FUYBPLBZNUFERK-QGZVFWFLSA-N 417.558 1.800 30 10 HDEE CN(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1517017206 BXBXIQWCBJLJHP-UHFFFAOYSA-N 416.551 1.860 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1517319385 CSYVWZGJKVPNAJ-UHFFFAOYSA-N 404.478 1.676 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(CC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1517619933 DHUOZBUHTONLCO-INIZCTEOSA-N 418.523 1.162 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCC1 1519436450 LGUOEVZWSPQWCG-ABSDTBQOSA-N 406.506 1.930 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Cc1ccc2c(c1)OC(F)(F)O2 1525869197 DABUHIXZYRFFGJ-GFCCVEGCSA-N 401.373 1.950 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(S(=O)(=O)N(C)C)c(Br)c1 1528570888 APDGOFTXPQKGDV-GFCCVEGCSA-N 401.282 1.174 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@@H]2CNC(=O)c2cccc(C#N)c2Br)C1=O 1532068927 ZDMGJNOUMWVWRW-DIFFPNOSSA-N 405.252 1.771 30 10 HDEE CC(C)(C)C(=O)Nc1nc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cs1 1539119633 ZGWHZGIBXYDORN-APPDUMDISA-N 410.521 1.067 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1539172246 WRUXHEWXBXKEAY-OAHLLOKOSA-N 419.489 1.584 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCCC(C)(C)C2)CC1 1539428627 VCKDVVYJOMIHFX-UHFFFAOYSA-N 415.586 1.294 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)cn3C)n2C[C@H](C)OC)CC1 1539434149 AMNMMCPZUQWRBL-AWEZNQCLSA-N 421.343 1.836 30 10 HDEE Cn1nnc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c1C(F)F 1539435676 FBMDECMZQHALFH-NSHDSACASA-N 403.349 1.468 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1539436007 FXQCNLBFVNSJQD-IIBYNOLFSA-N 415.925 1.894 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)C(C)C)CC1 1539454388 MLMIIGJQQQEOBG-UHFFFAOYSA-N 400.552 1.458 30 10 HDEE CN(CCCC(=O)Nc1nc2n(c1C#N)CCOC2)S(=O)(=O)c1ccc(F)cc1 1539546032 SDNHDMMFSFIHCO-UHFFFAOYSA-N 421.454 1.463 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539701515 JUHJDOOYCRPTQP-FOIQADDNSA-N 402.499 1.910 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1539743595 LMNIKAPLWQPOAZ-HXUWFJFHSA-N 417.535 1.948 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCOCC2(C)C)CC1 1539849368 WNEGYXNYYMMPAX-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)c1ccccc1 1540043616 BZJRNWNRKTWSQI-UHFFFAOYSA-N 403.508 1.610 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@H]3CC[C@H](C4CC4)O3)CC2)cc1 1540728643 OTMICKZZKLYNEB-IEBWSBKVSA-N 403.504 1.739 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H]1C[C@H](OCC)C12CCC2 1540869036 ABFBAMQSNRRIKB-JYJNAYRXSA-N 416.526 1.315 30 10 HDEE Cc1cccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)c1 1542233970 HGVWTNQIIUSKFC-AEFFLSMTSA-N 412.494 1.921 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@]2(C)C[C@H](O)CN2C(=O)OC(C)(C)C)c1 1543314587 BRPDQSXOFZMOTM-KKSFZXQISA-N 401.463 1.483 30 10 HDEE C=CC1(CC(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1545797183 BZLHHYSIVCDUAP-CQSZACIVSA-N 401.529 1.197 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1554684834 FIRXQMXAESOCIA-QFIPXVFZSA-N 424.505 1.681 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1555280567 KOICZQDAULQXGE-QRWLVFNGSA-N 416.457 1.415 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccs2)C1 1555984875 DDUMZJCEVZFFTB-DYVFJYSZSA-N 409.512 1.926 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c([C@H]2CCCOC2)nnc1N1CCSCC1 1556023089 SKXVBOAFLCHIIW-HFUDNHEJSA-N 418.523 1.252 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@]3(OCCO)CCOC3)C2)C1 1557430590 JMVPLLJMZLXGNE-WKQASXCGSA-N 423.510 1.057 30 10 HDEE COC(=O)[C@@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)[C@@H]([C@H]2CCCO2)C1 1560165545 OHDYHQFIEIOHAR-NSISKUIASA-N 410.470 1.719 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)OC 1561829326 NHHBGSNXVINOQG-GFCCVEGCSA-N 405.856 1.921 30 10 HDEE C#CC1(F)CN(C(=O)Nc2cnc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)C1 1562632304 PZLXNQGSIBBVID-UHFFFAOYSA-N 404.446 1.723 30 10 HDEE C#CCN(C(=O)NCCS(=O)(=O)CC=C)C1CCN(C(=O)OC(C)(C)C)CC1 1564417439 WESZZUNOWOWFFU-UHFFFAOYSA-N 413.540 1.632 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)cc1 1566264057 PKFASUGHRGCMCQ-CVTTXWKISA-N 407.470 1.453 30 10 HDEE CC(=O)c1cc(Br)ccc1OCC(=O)N1CCN(C(=O)CC#N)CC1 1566318090 SGOBEAFWVAYGDT-UHFFFAOYSA-N 408.252 1.615 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C(C)(C)S(=O)(=O)c1ccc(Br)cc1 1583661938 RKDJHVQSEQEPIF-ZDUSSCGKSA-N 402.310 1.892 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1585381906 ZYBPJCCBFMEISR-HNNXBMFYSA-N 408.449 1.335 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCO[C@](C)(C#N)C1 1585431817 LZCDMFHVAGAEPC-MLGOLLRUSA-N 415.309 2.000 30 10 HDEE CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660384 LOUBSRXANONUCH-QMTMVMCOSA-N 413.540 1.713 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1587562732 SGRSCRIAZQCHML-JKSUJKDBSA-N 419.551 1.931 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1587998651 GWSQWUDAAAFSOL-UHFFFAOYSA-N 410.503 1.290 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1588265517 CBUBABACQYJERZ-MRXNPFEDSA-N 415.469 1.876 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](C(N)=O)C1 1588975774 MALHZLNUFCQHMQ-AWEZNQCLSA-N 406.556 1.265 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1589493981 JSSWPANPFNUNSI-SJLPKXTDSA-N 411.572 1.818 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1594194407 VXYPZSAVNKYZTC-CYBMUJFWSA-N 404.496 1.804 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1595428605 UWOKDGKMLXYKQE-UHFFFAOYSA-N 404.515 1.891 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)C1 1595790421 LHQVZPVUVFARGH-OKZBNKHCSA-N 406.571 1.426 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1596821859 FWDKKSWEJUOIDC-NVXWUHKLSA-N 423.525 1.327 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1596830988 HHPFVRSQCZPVLO-UPINHGDLSA-N 413.569 1.077 30 10 HDEE Cn1ccnc1SCc1cccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1607487811 AEHOAJYEYZNITH-UHFFFAOYSA-N 422.470 1.543 30 10 HDEE CC(C)CC(=O)N[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1607488047 FDGJFUPURQHVQK-GOSISDBHSA-N 409.446 1.107 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1613009734 CJTBMNGIONWEQD-KSFYIVLOSA-N 423.521 1.239 30 10 HDEE CCOCc1nnc(N2CCC(C)(C#N)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1616767958 OMXDDRNFZUJTQA-ISLYRVAYSA-N 413.482 1.471 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1618271457 RPPKLFVMKIFMKU-OXJNMPFZSA-N 403.506 1.936 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOCC1 1620002794 XOHJQXQYESQRBY-RXVVDRJESA-N 420.558 1.854 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1620610730 BPJSCTCIUJXDTA-ZWOKBUDYSA-N 400.504 1.500 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 1624697316 LKCBTMTWSUPDNK-SFHVURJKSA-N 415.538 1.756 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](CC)S(=O)(=O)[C@H](C)C2)s1 1627096397 IQUZCVIZTFAQDO-OCCSQVGLSA-N 420.578 1.179 30 10 HDEE COCCN(C[C@@H](O)C(F)(F)F)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1628078599 GUAAYUNBNDEQCJ-CHWSQXEVSA-N 411.421 1.972 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1633696359 YCMCJCKOCCYNML-VLIAUNLRSA-N 423.469 1.432 30 10 HDEE N#CC[C@@H](CC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1ccccc1 1636696605 TYXPTQPZKGWZRZ-RPTYLJJZSA-N 403.504 1.401 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCC[S@@](=O)CC(F)(F)F)C2)nc1 1636859590 WJEODUNPHOEMGG-PFUSGODGSA-N 403.430 1.850 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)C1=O 1636937574 FQVXMTYYPYPERV-UHFFFAOYSA-N 409.446 1.321 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3nc(C(N)=O)cs3)CC2)c(Cl)c1 1637053709 FOPHGVUXNGEYTR-UHFFFAOYSA-N 404.883 1.799 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NN3CCc4ccccc4C3)C2=O)cc1 1640002289 KGOXFGUAXNLTIO-IBGZPJMESA-N 403.442 1.853 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1640066371 AKFIZRWRJMPKEL-OZTUNMHOSA-N 404.467 1.560 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 1642980839 QPIZBXOGZHMKEC-GFCCVEGCSA-N 408.549 1.954 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccc3cc(OC)ccc3c2)CC1 1644284663 BFEMMITTYNWTJZ-WEVVVXLNSA-N 413.499 1.473 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](Cn4ccnn4)C3)C2)C1 1645255649 ABJYDGJKGLWEEJ-BAQZJKQNSA-N 414.510 1.913 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1 1645564341 PRHCXEZDHVGNQB-JOCHJYFZSA-N 420.506 1.909 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2)cc1S(=O)(=O)NCC#N 1645779550 LNGXVOITBSQWHL-KRWDZBQOSA-N 404.536 1.934 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@@H](CN2CCOCC2)C1 1648037149 KSGYGDPSQYEOJD-SFHVURJKSA-N 400.479 1.227 30 10 HDEE COc1ccc(C(=O)NOc2cccc(C#N)c2)cc1S(=O)(=O)N1CCOCC1 1648726267 HZIVIDNCLZLWEJ-UHFFFAOYSA-N 417.443 1.312 30 10 HDEE CCCn1cc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1651259190 DYSIQASDRCDKHB-INIZCTEOSA-N 418.523 1.458 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1651341627 KZBRLLAQEVVIIT-WKILWMFISA-N 406.504 1.825 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCN2C(=O)OC(C)(C)C)cc1 1651530179 OFQXEBOBMXQXHQ-HNNXBMFYSA-N 407.492 1.337 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@@H]3CC[C@H](O)[C@H](O)CC3)C2)C1 1652215617 DEJJXTQCEJNJED-XLQKEHRUSA-N 407.511 1.554 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@]1(c2ccccc2)CCCO1)c1cc[nH]n1 1652389097 IVOJDXUEYGEEJJ-FQEVSTJZSA-N 400.435 1.516 30 10 HDEE COC1(C(F)(F)F)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1652684118 MCKKHEVVVIGFMO-ZDUSSCGKSA-N 410.352 1.553 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1656637152 CXOOUSVWEKOIOE-HNNXBMFYSA-N 412.943 1.287 30 10 HDEE COCC#CCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1658997819 JMGOLIIQIZISBI-ZWKOTPCHSA-N 406.527 1.504 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1659321724 FKDXLTNEDUZXGF-GOSISDBHSA-N 419.566 1.760 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)C1 1669559774 CRFWFUOWQPZJST-GDBMZVCRSA-N 418.469 1.726 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CCCN([C@@H](C)c2ccc(F)cc2)C1=O 1679365832 PJTSCGGQYYVLQQ-WMLDXEAASA-N 411.499 1.778 30 10 HDEE C=CCn1cc(CNC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)nn1 1681051777 GIHAAODELVRXIC-OAQYLSRUSA-N 423.477 1.688 30 10 HDEE C[C@H]1CN([C@@H](C)CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 1682226035 AZRHWIPLJFTNLX-LJCCNALRSA-N 413.522 1.456 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(Cn4cnnc4)CC3)C2=O)cc1 1686341686 OOEOKMGEZJPLCM-LJQANCHMSA-N 407.478 1.372 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1689921211 YMSZJNHTCYSDFI-HXUWFJFHSA-N 405.466 1.036 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1689929965 IEULVOZYBXHIMY-QKLQHJQFSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccc(C)cc2)CC1 1690110552 QIWFQVYODPKDMD-UHFFFAOYSA-N 424.549 1.949 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1690113453 KAIRWGHSOKUPAE-RTWAWAEBSA-N 403.527 1.255 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CC[C@@H]2COCCO2)CC1 1690117628 PKUVZVHPTLJKRU-HXUWFJFHSA-N 411.506 1.514 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CCCNC(C)=O)CC1 1690131019 RDZZBGHCYSGSKX-UHFFFAOYSA-N 424.549 1.353 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC(CN2CCOCC2)CC1 1690185071 SHTVXMOVOHWFMW-UHFFFAOYSA-N 407.584 1.730 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CS(C)(=O)=O)CC2)CC1 1690408601 PFEFJAUJHSOJGE-UHFFFAOYSA-N 404.540 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)CC1CC1 1690662816 DXMWAYGYTSNTCQ-UHFFFAOYSA-N 417.535 1.887 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)N2CCOCC2)CC1 1692848975 XSDUSPGOCYPNJS-MRXNPFEDSA-N 402.499 1.161 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H](C)N2CCOCC2)cs1 1693352953 ODEPMFHQDVGOKB-LIRRHRJNSA-N 419.530 1.797 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(=O)NC1CCCCC1 1698063282 TYBCQAZXFMIVHF-QGZVFWFLSA-N 404.515 1.945 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1698221941 HJRKTTPOWAQJMR-NRFANRHFSA-N 410.478 1.339 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCCCC1=O 1705476856 GFUQNEAPKTWAKA-JKSUJKDBSA-N 424.571 1.139 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C1CC1)N(C)C 1705551982 HCLHGJJKXOLOEY-LJQANCHMSA-N 408.554 1.862 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1705617260 OXNDWUKZJVYWAT-OAHLLOKOSA-N 412.460 1.744 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc2c(c1)COCC2 1705629959 BEGPFQFKLRBBDL-UHFFFAOYSA-N 423.517 1.608 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNS(C)(=O)=O)CC1 1705765802 AZZHUSMOPFVEHZ-UHFFFAOYSA-N 419.507 1.770 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCC[C@H]2CO)CC1 1705771287 NRNQKIUCKQMDIQ-IBGZPJMESA-N 416.570 1.794 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705829751 BNHWDYUUOCATND-QFBILLFUSA-N 410.540 1.390 30 10 HDEE CN1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC#N)CC2)C1 1711273784 HIVAPUQWHCJYLJ-NRFANRHFSA-N 424.509 1.122 30 10 HDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CC(=O)N(C)C)C[C@@H]21 1712673380 JGDBZWDNTVPGQO-NZSAHSFTSA-N 424.505 1.678 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1722384101 TWPCRQHCIPXAEL-DBXWQHBBSA-N 416.547 1.458 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722534422 MRFZAIQBLBSQPA-UZLBHIALSA-N 400.483 1.712 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)NCC(F)(F)F)CC1 1722566686 WZAOYWJQUCHCQV-GFCCVEGCSA-N 421.445 1.015 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C 1722672558 TUTFTLKZLZKTKK-QGZVFWFLSA-N 404.540 1.954 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCn2ccnc2C)C1 1722715487 SQYXOJIUELZKQT-QZTJIDSGSA-N 413.526 1.996 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722727480 OSTPLTFRVBLDPR-SJLPKXTDSA-N 423.583 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](CC)C1 1722728335 QDIHHUAQOWQXBE-HUUCEWRRSA-N 416.569 1.017 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1723550853 RSFXVDGMDOBZGN-IAGOWNOFSA-N 404.515 1.094 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1728522569 ARKCADLQIOJKKX-UHFFFAOYSA-N 421.523 1.371 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@H]1CCO[C@H](C)C1 1730873722 GWTLNRPZVGIFCZ-ZJPYXAASSA-N 407.515 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1740547689 ACMSABJRWXUHMK-PBHICJAKSA-N 416.503 1.826 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2F)n1CCCN(CC)S(C)(=O)=O 1740611561 JWMDWQMZDOXQJM-UHFFFAOYSA-N 407.515 1.749 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)N(C)Cc1ccccc1 1740613168 WFRZSMBNKGZGIZ-UHFFFAOYSA-N 405.506 1.868 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCC2(O)CCOCC2)CC1 1740698757 NHCHXTRPELAHSS-UHFFFAOYSA-N 423.561 1.750 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740718800 BRWKLXHQKPGZOS-MRXNPFEDSA-N 414.510 1.588 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1740728391 AYROKZRSQHBSDH-LJQANCHMSA-N 415.519 1.272 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1740749678 BTNFACONNNHMFK-DFGXFYAUSA-N 416.526 1.112 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1740794406 ZUTKBKGRHPUFFS-SFHVURJKSA-N 417.485 1.552 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CCS(=O)(=O)N(C)C)CC1 1740826873 AGIOUHFTQZXPTK-UHFFFAOYSA-N 410.569 1.682 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1740840332 WATRTUPACKKFRD-AWEZNQCLSA-N 404.483 1.864 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OC)c(O)c2)C1 1740978853 DDDIWELIICKASN-JKSUJKDBSA-N 413.478 1.773 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1741992809 CRLNNKKOBORDBS-HOTGVXAUSA-N 407.478 1.043 30 10 HDEE CC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)OC 1744165756 KAUCSHCUAXHSLL-YQVWRLOYSA-N 424.505 1.869 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](Cn3cc(C)cn3)C2)n1Cc1ccc(C#N)o1 1747233707 UALDDZGSWBDIPP-GOSISDBHSA-N 411.466 1.738 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1748731035 YXQKHTCOPSQKPT-UHFFFAOYSA-N 423.525 1.070 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1748818450 ZUQSVOOZNGSSSB-WCXIOVBPSA-N 410.515 1.547 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN1CCCCCC1=O 1748875544 SCHDMNOLCSCDFH-UHFFFAOYSA-N 412.538 1.672 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749136604 PNHBIALSIIGWRV-GHTZIAJQSA-N 416.570 1.470 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCOCC1 1749143902 OFOMCQWYRMIHFV-CVEARBPZSA-N 414.576 1.011 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749629810 GPUVRCOXCPZMJK-JKSUJKDBSA-N 405.528 1.416 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749664464 OHVLMEXMDKHRIQ-AWEZNQCLSA-N 423.443 1.715 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CCC(N)=O)CC1 1749665736 BERQLZVIXYEDIS-UHFFFAOYSA-N 411.510 1.433 30 10 HDEE CS(=O)(=O)CCCCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C#N)C1 1750202053 UHZPHJCWTXGCPM-MRXNPFEDSA-N 423.564 1.874 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1760181275 RPXFKYKFAXFZBK-TVYZCSMLSA-N 422.551 1.523 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1760252460 QLRSOMJOGBYUIB-MSOLQXFVSA-N 423.521 1.232 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760321622 IOUSYJMQKOBGEY-XDNAFOTISA-N 424.567 1.777 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760322711 WONDAAXOBMDOMX-ALYAQQCSSA-N 412.531 1.956 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1760425548 PNIPISBROORRFF-MOPGFXCFSA-N 415.586 1.802 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1760449143 BWJWARHHOOITAF-AWEZNQCLSA-N 400.439 1.327 30 10 HDEE C=CCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760452619 OUBVCUQTWSJZMC-QGZVFWFLSA-N 424.505 1.988 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCn2cc(Cl)cn2)C1 1760533440 HACDDYHBVORNSV-MRXNPFEDSA-N 419.917 1.846 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccccn2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1760692434 GQOQRLSQTMCUNH-GJZGRUSLSA-N 403.512 1.217 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccsc1 1761235593 DQKXIEKPNYWBKU-KRWDZBQOSA-N 413.551 1.897 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1766870932 HXXREYXGUSSBPF-GOSISDBHSA-N 423.521 1.063 30 10 HDEE CO[C@@](C)(Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C1CC1 1767986980 HYRPVGXMTBJTKF-LIRRHRJNSA-N 424.571 1.833 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCO)cc1 1768745240 TXXQLUWFXZMOFP-SFHVURJKSA-N 401.467 1.757 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1769304210 GLCKUFKUUULFGD-MRXNPFEDSA-N 409.494 1.304 30 10 HDEE COCCN(C)CCCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1769774856 CVFAYRDRJIKPGM-KRWDZBQOSA-N 414.510 1.651 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)COC2 1769836619 AVOKSVBFBIWWJB-UHFFFAOYSA-N 412.494 1.861 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccoc1 1770045396 ZLDAMMALMGNAQP-MAUKXSAKSA-N 400.483 1.820 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCCCN2CCOCC2)CCO1 1770751622 IYCNWZURTIFXBS-IBGZPJMESA-N 402.543 1.852 30 10 HDEE CN1C=N[C@H](C(=O)Nc2c(C#N)c3ncccc3c(=O)n2CCc2ccccc2)C1 1851273405 GLEKQTVMWCHRBW-SFHVURJKSA-N 400.442 1.792 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(CCCS(C)(=O)=O)CC2)n1 1851392197 QQMCZUMYMZOEBO-UHFFFAOYSA-N 418.441 1.473 30 10 HDEE CC(=O)N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ncccc2C(F)(F)F)CC1 1852036495 KKRLAVGIJZWUFJ-UHFFFAOYSA-N 421.383 1.260 30 10 HDEE C[C@H]1CC(=NC(=O)[C@@H]2CCc3nn(C)c(=O)cc3C2)NN1c1ccc(Cl)cn1 1852738580 HNWNZNWIDBPIRL-NWDGAFQWSA-N 400.870 1.662 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(F)c(OC)c2)C1=O 1854160976 PKHRBFQNBNHQKI-QZTJIDSGSA-N 417.481 1.613 30 10 HDEE CCOc1ccc(O[C@@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855120662 DOIMGOKGUJUEPD-ZWKOTPCHSA-N 414.506 1.511 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCCc4nccc(OC)c43)CC2=O)CC1=O 1855686542 SIQPNGVAQRDUQJ-HZPDHXFCSA-N 412.490 1.252 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)CS(=O)(=O)c3ccc(F)cc3)C2)CC1 1856155897 PKNVASRYRPSTDE-MRXNPFEDSA-N 421.494 1.600 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccccc2C)C1)[C@H]1CCN(C)C1=O 1857067252 FBAXZFLHANCYMO-MOPGFXCFSA-N 413.518 1.858 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)C(C)(C)C)C3(CCCC3)C2=O)CC1=O 1857118335 WHNVLIPOLUWEDN-MRXNPFEDSA-N 403.523 1.620 30 10 HDEE COc1ccc([C@H](CNS(=O)(=O)c2ccccc2C#N)N2CCN(C)CC2)cc1 1858062413 GRHOTCBHEBRRMP-FQEVSTJZSA-N 414.531 1.834 30 10 HDEE CC(=O)NCCN1C(=O)C(Nc2ccc(C#N)cc2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863238127 HXEOWZLNUZTMGP-UHFFFAOYSA-N 419.397 1.795 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)cc1 1866911537 HKOGNLDAEFBCQR-UXHICEINSA-N 410.449 1.778 30 10 HDEE C#CCOc1cn(Cc2ccco2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870562177 UJUZDYTVAAYOFC-UHFFFAOYSA-N 405.458 1.614 30 10 HDEE C=CCn1nc(C)c(I)c1C(=O)N1CCN(C(C)=O)CC1 1871338803 NLBHFEGKERRAAU-UHFFFAOYSA-N 402.236 1.286 30 10 HDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(N3CCOCC3)ncnc21 1873561265 IAXZNBGIHCRPGK-UHFFFAOYSA-N 413.478 1.433 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889525141 FXCOTNBACUOKHR-UHFFFAOYSA-N 405.564 1.416 30 10 HDEE C#CCN(CC(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1984784174 HGKCMVAEEVUIEJ-JOCHJYFZSA-N 415.490 1.702 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1986145736 XJDZXQDCWBEHPZ-GCJKJVERSA-N 414.506 1.595 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CC2(C1)CS(=O)(=NC(=O)OC(C)(C)C)C2 2126354281 AXOSLYSZAAYNGX-CYBMUJFWSA-N 405.542 1.831 30 10 HDEE CC1(C)OB(c2ncc(CNS(=O)(=O)C[C@H]3CC[C@@H](F)C3)s2)OC1(C)C 2150388941 JBCFAFVJGJCOFI-NWDGAFQWSA-N 404.338 2.000 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccc(N)cc1C#N)C(F)(F)F 2162582344 LDEJKCWASOGXIZ-LBPRGKRZSA-N 408.402 1.874 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC1(CNC(=O)OC(C)(C)C)CCN(C)CC1 2187395597 XCQBBCYWLUYUHR-HNNXBMFYSA-N 402.561 1.691 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CNC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243383995 HRTYVVXIAXIBIW-OKILXGFUSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2243388014 DQHUNVSGZAYXDN-UHFFFAOYSA-N 408.260 1.860 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243425789 RCRWVWCENNKNAT-UHFFFAOYSA-N 405.304 1.978 30 10 HDEE CC(C)(C)OC(=O)NC1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2243436854 NVDVSTVKHKQJMW-UHFFFAOYSA-N 404.276 1.125 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)C1 2247865330 STPRMZQSSMYRMB-CABCVRRESA-N 421.303 1.024 30 10 HDEE C=CC(C)(C)CCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258136508 YIDLYJSYHCYADU-INIZCTEOSA-N 412.508 1.976 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CCCC3(CC2)OCCO3)n1 2282042148 AUNTYOUXKFHHPH-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE COCCN(CCF)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282314361 YINCUCDSSYLJGQ-UHFFFAOYSA-N 407.338 1.962 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](C)NC1 2282326553 UTQVURVHBJOMRK-AAEUAGOBSA-N 400.375 1.775 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=[S@@](C)(=O)[C@H]3CCNC3)c2)OC1(C)C 2282330365 YQFRXLVOANXQNF-VDBVYFBLSA-N 420.387 1.196 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](F)[C@@H]2CCOC2)OC1(C)C 2282336550 FVQUBQBCWCRBDV-YPMHNXCESA-N 405.322 1.700 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N[C@@H]2CCCCC23OCCO3)OC1(C)C 2282339109 SBAQDPCRPXEPLD-QGZVFWFLSA-N 423.340 1.950 30 10 HDEE CN(C[C@H]1CCCO1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501541 YJXPWPSIFDYNDY-CQSZACIVSA-N 401.359 1.988 30 10 HDEE CC(C)[C@H]1COC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854752 VONXLNZHFZDKGN-TZMCWYRMSA-N 401.359 1.997 30 10 HDEE COCC[C@H](COC)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282873050 FWLPWBZHSDRKGC-GFCCVEGCSA-N 405.347 1.377 30 10 HDEE C[C@H](COCC(=O)O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2284392329 VZDFGQYEYYHNEZ-SECBINFHSA-N 403.693 1.920 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284393797 PQVHZOUWOUCUKU-KWQFWETISA-N 421.733 1.794 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@]3(C)CC(=O)O)c2)OC1(C)C 2284400586 XALKAGWTMFSAOE-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CC[C@H](CCC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284402624 KGIRYRXNPVGWMO-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CCC[C@H](C(=O)O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284408618 YGMQDTPURPSNEV-GFCCVEGCSA-N 403.331 1.921 30 10 HDEE C[C@@H](CCCC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284413538 LOQOJHWMYYRWTH-NSHDSACASA-N 403.331 1.969 30 10 HDEE C=CC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2316824682 ODMFVHDIVBELGL-MRXNPFEDSA-N 408.476 1.792 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)c2nc[nH]n2)OC1(C)C 2343820275 DVWVNRTUIJABGW-UHFFFAOYSA-N 404.710 1.297 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N[C@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360572179 PRRDDWZLPLCOSJ-SNVBAGLBSA-N 402.218 1.248 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2363703322 GFDQDLCXAATTIA-GOEBONIOSA-N 413.565 1.719 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2365202862 QCYBVBGVEXKZTC-HUUCEWRRSA-N 400.541 1.570 30 10 HDEE C=CC1(N[C@](C)(CS(=O)(=O)C(C)(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2372936933 ANGMIRFUNIEUSJ-QGZVFWFLSA-N 404.529 1.808 30 10 HDEE Cn1nc(Br)nc1[C@@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2382104043 LKKBIWOJGHRCCE-MNOVXSKESA-N 400.074 1.753 30 10 HDEE COC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2C#N)C1 9446696 OPFSLHXAGFKNAI-UHFFFAOYSA-N 424.438 1.979 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)c(OC)c1 55231677 XHZMAVOVGYZQOG-GOSISDBHSA-N 402.491 1.900 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NCC#CCOc2cccc(NC(C)=O)c2)cc1 90732305 QAZBNCCNKZTUFX-UHFFFAOYSA-N 416.455 1.792 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1c(N)cc(Br)cc1Br 135845440 DJWZUJXVXLSXCO-UHFFFAOYSA-N 414.119 1.963 30 10 HDEE C[C@@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)n1cnc(C#N)n1 409610466 FBTDWGWZMFMFDY-BBRMVZONSA-N 422.411 1.919 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 428870425 XZARMKVZCOLTFN-KRWDZBQOSA-N 415.519 1.972 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 443862936 VOFJBCZTFHQWCZ-DYTBSURPSA-N 413.430 1.660 30 10 HDEE COc1ccc(F)cc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(C)c1=O 461341346 OTJINWQQGZMIAK-UHFFFAOYSA-N 424.453 1.989 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCN(c3ccccc3F)C2)CC1 464448468 HBPUPUGWHASFCD-QGZVFWFLSA-N 403.502 1.281 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1c(F)cc(C#N)cc1F 466352545 MNGSYRGLZBBZMF-UHFFFAOYSA-N 413.427 1.496 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2cccc(N3CCOCC3)n2)cc1 479062672 YFADNGYPYGGLRZ-UHFFFAOYSA-N 416.503 1.313 30 10 HDEE CC(C)n1ncc2c1C[C@@H](NC(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)CC2 480136470 OPACRMQPALNQSI-RDJZCZTQSA-N 408.510 1.903 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@]2(O)[C@H]3[C@@H]4C[C@@H]5[C@@H]6C[C@@H]([C@@H]3[C@@H]64)[C@@H]52)cn1 488784091 OLKLRAMEDLPDNX-UZAYAGKBSA-N 402.458 1.769 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 489357231 BPTZGIKTFVFZKZ-QGZVFWFLSA-N 422.551 1.837 30 10 HDEE CCOCCOc1ccc(Br)cc1S(=O)(=O)N1CCO[C@H](C#N)C1 501891692 PHVISLCWJCJDSL-CYBMUJFWSA-N 419.297 1.777 30 10 HDEE CC1(C#N)CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 504008585 IJBQJNKBOPZGNE-QGZVFWFLSA-N 420.535 1.979 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C(=O)N(CC)CCC)cc2)CC1 517800423 PYCKKPUJEBAUOE-UHFFFAOYSA-N 400.523 1.619 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2cccc(Cl)c2)CC1 522320936 SYAHJYGEQJMMGL-PXNSSMCTSA-N 418.925 1.306 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)[C@@H](C)C1 522401126 QWTZTFIEMKQZBZ-ICSRJNTNSA-N 414.554 1.922 30 10 HDEE CN1CCN(C(=O)CC2CCN(CC(=O)N(C)C3(C#N)CCCCC3)CC2)CC1 532702171 GETKYAVHXDEMTK-UHFFFAOYSA-N 403.571 1.547 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CN2CCc3cc(OC)c(OC)cc3C2)c1C#N 534062577 JZMAANNWDLYTCG-UHFFFAOYSA-N 412.494 1.447 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OC(F)F)cc(OC(F)F)c2)CC1 537162758 XGUFRANPCKZPDJ-UHFFFAOYSA-N 419.375 1.949 30 10 HDEE N#Cc1c(N)n[nH]c1CCCN=c1[nH]cnc2cccc(I)c12 544352266 AXTFZGSRSVPVLP-UHFFFAOYSA-N 419.230 1.878 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 545463462 NXUCJUSUCSXVLW-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C2CCC2)n(Cc2cccs2)c1=O 551920687 MLCMHQHEGUATJO-UHFFFAOYSA-N 424.551 1.934 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2cccs2)c1=O 573822784 TWPRCDASUCDIQH-UHFFFAOYSA-N 424.551 1.820 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)ccc1C#N 584872846 XZEFGVFIHYFCPV-UHFFFAOYSA-N 421.457 1.138 30 10 HDEE CCOc1ccc(/C=C/C(=O)N[C@H]2CCN[C@H](C(=O)/C=C/C(=O)O)C2)cc1OC 585833532 DFBDRNBANRVHHT-OPZBGNLUSA-N 402.447 1.554 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)c(-n4cnnn4)c3)cc2C1=O 607584151 VTCRCBMPGIIBMI-UHFFFAOYSA-N 404.386 1.705 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(F)c1 609234315 TWWOBQVNOKYJKU-UHFFFAOYSA-N 423.491 1.960 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1C 610798346 RVILAAGAGRXZJT-CYBMUJFWSA-N 401.444 1.959 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC(OCCCO)CC2)CC1 611430131 FSCSAVPEXFGROD-OAQYLSRUSA-N 418.513 1.398 30 10 HDEE C=CCOCCNC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 679552996 YRDUDJLKRNHFMZ-UHFFFAOYSA-N 403.888 1.685 30 10 HDEE O=C(Nc1cccc(C#Cc2cccs2)c1)C(=O)N[C@H]1CCCN(CCO)C1=O 682339160 FNOMVHWQCYBWRK-SFHVURJKSA-N 411.483 1.186 30 10 HDEE C#CCNC(=O)CN1CCN(Cc2nc(O)c3c(-c4ccco4)csc3n2)CC1 728573140 KVHUSUGSJUJUID-UHFFFAOYSA-N 411.487 1.524 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(F)c1 730144375 KFHAUJNJMKXPAY-INIZCTEOSA-N 406.483 1.467 30 10 HDEE Cc1cc(=O)oc2cc(OCCOC(=O)CCN/C(O)=C3\N=CC=CC3=O)ccc12 741339065 AAGKQEUGPKXPGR-QZQOTICOSA-N 412.398 1.940 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 742071178 ASLKSIONEJRDBE-XUTLUUPISA-N 408.414 1.709 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(c2ncnc3sccc23)C1)[C@H]1CCS(=O)(=O)C1 742573414 NHFPMDKFSUPCML-GJZGRUSLSA-N 418.544 1.557 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)ccc1F 765288337 PPGYJCZAYGHTGF-HOCLYGCPSA-N 409.483 1.421 30 10 HDEE CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@H](O)c1ccc(C#N)cc1 780856780 YPDQBXZZAJEJJU-OAQYLSRUSA-N 408.458 1.525 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)n1 790107457 DDOPTFGFXKPDDT-IBGZPJMESA-N 402.401 1.963 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 800773348 HWJUGPTZHOFPOH-GJZGRUSLSA-N 409.487 1.282 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CCN(S(=O)(=O)N3CCO[C@H](C#N)C3)C2)C1 801712877 ORWHFZFGZOLNHZ-QAPCUYQASA-N 414.528 1.179 30 10 HDEE C#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 802613122 RWENVYXBNPIAMV-GOSISDBHSA-N 421.453 1.433 30 10 HDEE COc1cc(CNC(=O)NCC[C@@](O)(c2nccn2C)C(F)(F)F)ccc1C#N 811868103 WKRNDFOQTRAMOV-QGZVFWFLSA-N 411.384 1.940 30 10 HDEE N#Cc1ccc(N2CCC[C@H](N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)C2=O)cc1 856556770 SMQPILSMYRTFMS-HBMCJLEFSA-N 403.486 1.904 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 918336549 YLWXCDMIMQZQHY-AWEZNQCLSA-N 407.492 1.307 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1 1127142359 XOJIPQMVLHPRGQ-GOEBONIOSA-N 412.494 1.999 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@]2(c3ccccc3)CNC(=O)C2)cc(OC)c1OC 1127752876 ANILTQGYIRRGAD-ZHRRBRCNSA-N 409.442 1.851 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCOC4(CCS(=O)(=O)CC4)C3)C2)c(F)c1 1135185465 FMKCBSGNGHFGOH-INIZCTEOSA-N 421.494 1.330 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(C(N)=O)CCC(C)(C)CC2)s1 1137603766 BDSYHBQDEYXGEY-UHFFFAOYSA-N 413.565 1.695 30 10 HDEE COCCN(CC#N)C(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1141801397 UPTVKYPMZFSJCS-UHFFFAOYSA-N 406.487 1.771 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@@H](O)[C@@H](CO)C1 1142378620 LNUSGEOVEHJJBM-BHIYHBOVSA-N 415.490 1.594 30 10 HDEE CC(C)(C)OC(=O)c1cncc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c1 1143642777 DTRFQXZHHDOHSQ-UHFFFAOYSA-N 416.459 1.826 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C)C(C)C 1144204453 PRNZDEFVXUIUSR-MSOLQXFVSA-N 422.570 1.879 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2ccncc2C#N)CC1 1166494438 KACYWCYJYBBYDT-UHFFFAOYSA-N 421.504 1.183 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C 1171491261 SMNYHCYZROWDBN-SCLBCKFNSA-N 412.471 1.168 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](Nc3ncccn3)C2)CC1 1176808968 XEIVPGHFKXCSPY-VQTJNVASSA-N 423.496 1.511 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1179405284 OSDOUPIBKAEBFS-FOIQADDNSA-N 424.482 1.697 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](C)(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1180999733 DPWVQALLBUYVCS-FQEVSTJZSA-N 417.466 1.241 30 10 HDEE COc1cc([C@@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)ccc1S(C)(=O)=O 1181315347 SNFJUTPCVRJTTK-AKDSAVJFSA-N 421.475 1.192 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 1190985999 JZNVIXWIZOOJDY-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1191210993 GZVUPGVQIDPIGX-SECBINFHSA-N 422.684 1.912 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1[C@@H](C)C(=O)Nc1ccc(C#N)c(Cl)c1 1196807266 LVDQSGKETWIBCG-SMDDNHRTSA-N 413.883 1.201 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(c3ccc(F)cc3C#N)CC2)C1=O 1197042065 WWEUMYYVFFZRIG-GOSISDBHSA-N 402.470 1.762 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286324903 QQKIYNNEONFPGQ-SFHVURJKSA-N 422.537 1.766 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1286391557 DWPOEOLAGYGPOE-JKSUJKDBSA-N 419.507 1.062 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](CC(C)C)NC(=O)OCC 1286407187 QUVSFPKVVDBNEG-SFHVURJKSA-N 411.510 1.912 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)N(C)C 1286415534 OOCMQQRNBZDEQU-IAGOWNOFSA-N 421.567 1.161 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCn1cc([C@@H]2CCOC2)cn1 1286459577 REEUIHTZPBRVTN-GOSISDBHSA-N 423.521 1.770 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H]2C)CC1 1286480672 OWCDCZQEJQUAFY-RCCFBDPRSA-N 405.568 1.372 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1 1286536722 RRYXSAQVIMWOCQ-GFCCVEGCSA-N 423.333 1.146 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286792795 IBZZWPUMCHYTFL-AWEZNQCLSA-N 408.503 1.220 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)O[C@@H](CC)C1 1286821994 XRWXNGDEQVQMKM-WMZOPIPTSA-N 419.551 1.868 30 10 HDEE CC(C)(C)C1CC(n2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)C1 1287015344 UEDXKKNLEXBQLT-PRLABOORSA-N 407.540 1.906 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2nc3ccc(C#N)cc3[nH]2)C1=O 1287394828 KDLWBPKJJLFTIR-HXUWFJFHSA-N 406.377 1.979 30 10 HDEE N#Cc1cccc([C@@H](NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)C(F)(F)F)c1 1288175499 UIMXTDHYSCTYQM-LKAFINOVSA-N 407.348 1.440 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288282348 TUHDGJQEONFEGD-AXVVYFOYSA-N 407.515 1.597 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(C(N)=O)c1 1300266786 BEKRBCZTRLUONC-CQSZACIVSA-N 403.446 1.531 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1300545002 FLTRQTHZJZGPBM-SFHVURJKSA-N 404.522 1.804 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1snnc1C 1300545432 PFQHCJZOGHMZMK-UHFFFAOYSA-N 411.516 1.551 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1300569057 AOZYATMULDHQGC-HSZRJFAPSA-N 421.501 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1(N2CCCC2)CCOCC1 1300579180 SDZVZZSAUIOOHQ-HXUWFJFHSA-N 411.550 1.890 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1300733608 LHBRLGNBWWORDU-IEBWSBKVSA-N 418.611 1.757 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1300755179 NKLFHWCSMVQATF-RZQQEMMASA-N 414.535 1.874 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1301021747 ZJEHWWKTESMFHC-HOBGOZEFSA-N 421.494 1.564 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301258525 VCOMBCPYHKJMPU-RTBURBONSA-N 405.543 1.533 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCCN1S(C)(=O)=O 1301278611 NYVNLTCRTIYCCC-MRXNPFEDSA-N 420.495 1.900 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301491734 WPIDCFAGHDUNPJ-MRUHUIDDSA-N 412.494 1.415 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(SC)c1 1301806350 DMTBAOOVZRUNCB-HNNXBMFYSA-N 415.523 1.761 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1302274815 HNVPXCANMVKYBW-LSDHHAIUSA-N 406.487 1.773 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 1309029859 GMMZTBGUAYIBGI-UHFFFAOYSA-N 422.514 1.785 30 10 HDEE C=CCONC(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1312703513 VHASVXZBPXKAJN-UHFFFAOYSA-N 413.496 1.521 30 10 HDEE CC[S@@](=O)CCn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1314567778 BXZGWFWGUPLHQZ-GDLZYMKVSA-N 415.567 1.838 30 10 HDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1314625516 GRWUCNFKLXKRGY-RBUKOAKNSA-N 424.505 1.455 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1316347481 GBQMWJAIKCLFFE-QZTJIDSGSA-N 415.519 1.867 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCCNC(=O)c1ccc(Cl)cc1 1352235104 YGKKJPZGOYQGDK-UHFFFAOYSA-N 416.869 1.920 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1358871026 YXSOSUJOUHURPF-GMYLUUGSSA-N 402.524 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCCS1(=O)=O 1358875693 UOMIBYMTZLDKSO-TXPKVOOTSA-N 410.540 1.355 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@](C)(O)CCOC 1358974615 LUQXQXLYANXYAT-QFIPXVFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)COCCO1 1359007261 BNCPMZDMGJADRE-NRFANRHFSA-N 408.462 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCC1 1359023352 HYORDUSBKPGNMZ-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1359224562 VZDZWAOCZPMIFD-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCCCO1 1359291463 QQOJFUMGERGDFO-OAHLLOKOSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359297472 RIVFGJHTBXIUAF-MRXNPFEDSA-N 421.505 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)CC1CC1 1359332709 FEQKYXXMSLPMHO-HNNXBMFYSA-N 416.569 1.017 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCOC(C)(C)C)CCOC1 1360347869 OOPPIKIKMBKILQ-OXJNMPFZSA-N 407.515 1.863 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1NC(=O)CC1(C)C 1360475040 ZBNRQONUKAZZQB-WFASDCNBSA-N 413.482 1.659 30 10 HDEE C#CCN(CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1)C(=O)OC(C)(C)C 1447777666 GINIXYQQCINXST-UHFFFAOYSA-N 400.483 1.119 30 10 HDEE C#C[C@H](NC(=O)CCC(=O)N1CCc2cc(OC)c(OC)cc2C1)C1CCOCC1 1453743837 HCVUFZRLSLNWFV-IBGZPJMESA-N 414.502 1.913 30 10 HDEE C#CC[C@H](COC)NC(=O)CNC(=O)c1ccccc1I 1454355860 SVBLXSHHLVWJEE-LLVKDONJSA-N 400.216 1.176 30 10 HDEE CC(C)(C)OCC(=O)NC(C)(C)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1458002580 NJOVKMYWMBWEEA-UHFFFAOYSA-N 419.478 1.600 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)NC[C@H]2CCN(c3ccccc3)C2)c(=O)n1C1CC1 1459216606 GABHRYKZTLSVLR-MRXNPFEDSA-N 407.474 1.168 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 1463687804 KNSXMDZBKPWEPZ-UHFFFAOYSA-N 404.513 1.665 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCCCN2CCO)cc1 1465259059 KKSBEPHQNWRVTQ-KRWDZBQOSA-N 410.540 1.461 30 10 HDEE COc1cc(NC(=O)[C@H]2C[C@@H]2C)c(C(=O)N2CCN(C(=O)CC#N)CC2)cc1OC 1465872763 XSEPXCRSEXCEIY-KBPBESRZSA-N 414.462 1.496 30 10 HDEE C=C(CC)CNC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1470505303 ZNGLXUSNZOYJDW-UHFFFAOYSA-N 401.510 1.517 30 10 HDEE CCC(CC)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1470588986 YAVCHXARMKBAPM-IFXJQAMLSA-N 413.540 1.714 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)n1Cc1ccccc1 1472371230 PDQDGATUUQGQKY-UHFFFAOYSA-N 403.442 1.984 30 10 HDEE Cc1cc(N(C)CCN(C)c2ccc(S(N)(=O)=O)cc2)c(C#N)cc1[N+](=O)[O-] 1472794964 MHKSDUJKIUJSAK-UHFFFAOYSA-N 403.464 1.995 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CCCOc1cccc(C#N)c1 1473651780 RYVWSDZRJMSXPV-OAQYLSRUSA-N 405.495 1.915 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1473824164 AUGHVRLBGWFXSX-WFXMLNOXSA-N 414.531 1.809 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(C(=O)NCC(F)(F)F)n(C)c1 1475717043 MCHRQFPTVUGERK-UHFFFAOYSA-N 420.457 1.035 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCc2nccn2C1 1504888198 KZBXYEWWIXNRLV-JKSUJKDBSA-N 412.498 1.055 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2)n1CCS(=O)(=O)N1CCSCC1 1507525616 IEMPOZYDWNJDOQ-MRXNPFEDSA-N 419.576 1.782 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1507593415 OKSXZLBYGMTOHS-SFHVURJKSA-N 412.538 1.557 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CSCCS1 1507612582 XMNZBKIHUURYOZ-MRXNPFEDSA-N 412.548 1.839 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1507700183 PJRFRCIULCQSDO-ZWKOTPCHSA-N 402.543 1.532 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](C2CC2)N(C)C)CC1 1507736411 LPRSCFIIMAZFEN-HXUWFJFHSA-N 421.549 1.646 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCCC(C)C 1507765539 SRUOOUVPWHUEBN-VQIMIIECSA-N 411.572 1.943 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cnnn1 1508017583 DPCAUHCEHUBSQA-UHFFFAOYSA-N 418.465 1.849 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1508047913 LPPNNNQFLOTBJI-UHFFFAOYSA-N 412.494 1.714 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CC[C@@H]2COCCO2)C1 1510285751 HZXYOFCABUYKGA-OXQOHEQNSA-N 402.499 1.450 30 10 HDEE C=CCn1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nn1 1526049682 CNBZWKXRBUSWNA-UHFFFAOYSA-N 403.508 1.959 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)Nc3c(C#N)c(C)c4ccccn34)CC2=O)cn1 1526090468 MREGGRCOJZDAQH-HNNXBMFYSA-N 406.446 1.954 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H](C(=O)OC)[C@H](C3CC3)C2)ccc1F 1530709880 HTNFKJFXSRMEBF-LSDHHAIUSA-N 410.467 1.561 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1cc(S(=O)(=O)N3CCOCC3)ccc1F)C2 1530932307 ZJVNVJPRBJCFGI-UHFFFAOYSA-N 415.446 1.874 30 10 HDEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1536564431 XGHPARRRHKWUTM-SJLPKXTDSA-N 403.454 1.998 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1536930260 XPHHUWDXOILMFX-UHFFFAOYSA-N 400.435 1.128 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(N2CCCNC2=O)CC1 1539132480 LWYWPSPTKHYVRV-UHFFFAOYSA-N 424.553 1.937 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCCC1(C)C 1539161734 LDBBTHLHVPFZPC-NRFANRHFSA-N 406.494 1.931 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCC1 1539258576 YGDDCDKNFODRDG-UHFFFAOYSA-N 412.519 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1539265031 CKGKHLWPUWHABS-IBGZPJMESA-N 412.515 1.448 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)OC)CC1 1539631357 KYBXYPUFBHYUSW-BBWFWOEESA-N 405.499 1.652 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)C1 1539645564 RDTSWVCFUACJHT-DYESRHJHSA-N 411.506 1.817 30 10 HDEE C=CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1540064152 MECWJIMCQVDCAS-IBGZPJMESA-N 401.492 1.598 30 10 HDEE CC(C)(C)OC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540728404 GCFHVTHTXGCGEV-UHFFFAOYSA-N 421.519 1.903 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1540908382 VDWLWGUJWJGECC-AWEZNQCLSA-N 415.585 1.349 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCC2CCN(CC#N)CC2)C1 1543478213 FNNMIZDYVVWZKS-HXUWFJFHSA-N 410.490 1.314 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2CN2CCOCC2)s1 1545035156 LXNXUDKPEWYKBO-OAHLLOKOSA-N 413.565 1.078 30 10 HDEE CC[C@@H]1[C@@H](C)CCN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1546600906 SOUGHVCUBUKPET-SFXXBHMCSA-N 424.509 1.830 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1547250180 AXPBKNKNYAOHKI-DLBZAZTESA-N 407.478 1.058 30 10 HDEE COC[C@@H]1CCCCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555335960 KPGIELUJEKAJEG-MEUCICPISA-N 414.510 1.935 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1CCCCC1 1555752610 DAUAORVPLBMIIN-FHWLQOOXSA-N 418.542 1.607 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)C#Cc3ccc(C(F)(F)F)cc3)CC2)CCOC1 1557559364 OJADALIGGXTQCB-LJQANCHMSA-N 410.392 1.533 30 10 HDEE CC(C)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](O)c1ccc(Cl)cc1 1557671668 LDQFUWAHTSFGSC-IAGOWNOFSA-N 404.854 1.738 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@H]3C=C[C@H]2C)CC1 1565815905 WUHHXWWJMPXJAG-QKPAOTATSA-N 411.424 1.140 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C[C@H]3CCCS3(=O)=O)c(C#N)c2N)cc1 1566186916 UTYJIPKPFSEFNZ-MRXNPFEDSA-N 415.519 1.651 30 10 HDEE Cn1c(C#N)ccc1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1584182077 BQYOPVXTOVXKMX-AWEZNQCLSA-N 410.496 1.051 30 10 HDEE Cc1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 1586036993 JPAZVEYWBFNRJS-UHFFFAOYSA-N 403.464 1.182 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCOC 1587932306 OSTCOXWNKHBYFR-UHFFFAOYSA-N 405.524 1.691 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1588054096 KRIVOESAEWFMSJ-CVEARBPZSA-N 408.524 1.061 30 10 HDEE Cc1cc(C)c(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(O)n1 1588158403 VYHUVTNQAJWCEN-UHFFFAOYSA-N 414.487 1.351 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1588558919 BLFVSPWOBPKQPA-QGZVFWFLSA-N 417.510 1.143 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1588645893 DYTMPHFPVVQOAK-RTBURBONSA-N 405.543 1.225 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@](C)(OC)C1 1595812061 LWGAOKGQQZFGAH-FQEVSTJZSA-N 419.551 1.870 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccn2)CC1 1595871153 IFRQIHITWJEPKD-UHFFFAOYSA-N 409.523 1.771 30 10 HDEE COc1cc2ncn(CCCC(=O)N3CCO[C@@](C)(C#N)C3)c(=O)c2cc1OC 1611488905 DNEWQYJMIQKGJF-FQEVSTJZSA-N 400.435 1.335 30 10 HDEE CSC[C@H](C(=O)N1CCC2(CC1)CC(=O)C=CO2)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1611534389 VHFSQSSECSWJNA-IXDOHACOSA-N 420.531 1.758 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@](C)(O)c2ccccc2)n1 1612502406 HGFOGOYZKASSIJ-SIKLNZKXSA-N 421.505 1.776 30 10 HDEE C[C@H]1C[C@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)CCO1 1612693813 BMPWZZZHNAXHPK-DOTOQJQBSA-N 410.478 1.480 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CO1 1616345878 CQLOVYRNIHIWNX-MQINBFPNSA-N 407.467 1.156 30 10 HDEE Cn1nccc1[C@@H]1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1617864944 PSYDGYVLBYVKSQ-AEFFLSMTSA-N 422.445 1.097 30 10 HDEE C#C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCOCC1 1618322629 OLJULHVJZGUHGO-HXUWFJFHSA-N 420.531 1.185 30 10 HDEE COC[C@H](F)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](C#N)C1 1619614071 ZFJKKAQIMYOXRF-PBHICJAKSA-N 405.430 1.676 30 10 HDEE CC(C)N1C(=O)CC[C@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1624381164 SBMCGVOCHALPNW-SFHVURJKSA-N 412.469 1.913 30 10 HDEE COc1cc(C)c(Br)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1624742806 GIOBNEGFUOBYJJ-UHFFFAOYSA-N 407.224 1.929 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)cc2S1(=O)=O 1624870932 ROYVQKJWCCXKDF-CQSZACIVSA-N 413.381 1.422 30 10 HDEE C=CCN(C(=O)c1cc(-c2c(C)nn(CC=C)c2C)[nH]n1)[C@H]1CCS(=O)(=O)C1 1625390553 ZWBNCQAKFCQOBR-HNNXBMFYSA-N 403.508 1.891 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCN(C(=O)c2cscn2)[C@@H](C)C1 1625862945 CWOVHUHCOGNKEB-ZDUSSCGKSA-N 400.460 1.775 30 10 HDEE C#CC[C@H](NC(=O)C1([C@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1)C(=O)OC 1626188362 XACSVZQDEBILOA-BTYIYWSLSA-N 408.495 1.600 30 10 HDEE C[C@H](Oc1ccccc1Br)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1626656162 SEMJXHPHNXTVSO-MKBNYLNASA-N 413.293 1.613 30 10 HDEE CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)CCn1cc(C#N)c(O)nc1=O 1629538215 GSRRBROFYJNIEJ-UHFFFAOYSA-N 407.471 1.220 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1631824191 ADOLPSCAUMHZJQ-LSDHHAIUSA-N 403.545 1.776 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@@H]4CCCN(C(N)=O)C4)CC3)n[nH]2)cc1 1632252768 CLDDIIKMSINYHM-QGZVFWFLSA-N 407.478 1.388 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1633140956 PVPPPPRVLITFCA-INIZCTEOSA-N 408.495 1.603 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cnc2nccn2c1 1633448005 ZXZATRUYVZRNDG-HNNXBMFYSA-N 412.475 1.821 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)s1 1634918730 MVZUTDQFAUJTKS-CQSZACIVSA-N 413.459 1.402 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc(I)cc1F)C(=O)OC 1635158816 MBCBBBNPYRTBJY-GFCCVEGCSA-N 407.179 1.904 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)s1 1635458723 FJFZZKHMGKQZFA-CQSZACIVSA-N 413.565 1.661 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)c1ccccn1 1636450338 ALMLBWTZXGZSSE-IRXDYDNUSA-N 416.503 1.529 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c(F)cc(C(F)(F)F)cc3F)C2)c(=O)nc1O 1637512864 HVSAUTWAXOOBDG-UHFFFAOYSA-N 400.263 1.815 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 1638606269 POQYLRUNSPHKHF-HFXWAVGVSA-N 408.502 1.883 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2CCO)o1 1638847070 UGFDIAPLAHBDJK-HNNXBMFYSA-N 404.444 1.352 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCN3C(=O)[C@@H]4CCCC[C@H]4C3=O)C2)nc1 1638906405 RUFRQVJJSKBTRH-KZNAEPCWSA-N 409.490 1.921 30 10 HDEE C=CCCONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1641575702 TZXCNQPAUPXJFN-UHFFFAOYSA-N 413.471 1.063 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nccc(C(F)F)n2)s1 1641903411 MCVHCFFQQQCSBV-UHFFFAOYSA-N 402.448 1.799 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](CC(F)(F)F)C1 1642023566 OCPGMSQADVVFGX-DGCLKSJQSA-N 405.398 1.405 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC1CC(CC(=O)OC)C1 1649381130 BOUQPHOYOKWBEA-XUJLQICISA-N 421.519 1.742 30 10 HDEE CCOC(=O)c1ncn(C2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1N 1654136773 NCXFJBBXEDTEEI-VLIAUNLRSA-N 404.515 1.722 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCO[C@H](c3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 1655901795 CDJUDPIETGOTAW-SFHVURJKSA-N 402.432 1.952 30 10 HDEE C#C[C@H](NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O)[C@@H]1CCCO1 1661510111 XOHCEMVZCJBKGC-IRXDYDNUSA-N 404.488 1.409 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1663331235 XFOYBNATFTZMAL-ZDUSSCGKSA-N 411.300 1.786 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(C)c(F)cc2Br)CC1 1665528667 JIJRJRCXAYLADV-UHFFFAOYSA-N 404.305 1.482 30 10 HDEE C=CCCS(=O)(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1665707557 SQRPWHXFMFQMDW-ZNMIVQPWSA-N 415.512 1.407 30 10 HDEE CC(C)(C#N)CNC(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1671545763 QAZPEJBTHZCUFX-CYBMUJFWSA-N 402.517 1.260 30 10 HDEE C[C@]1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCN(Cc2ccccc2)C1 1672296853 CPQQRCFGPGYJCS-CEWLAPEOSA-N 416.547 1.478 30 10 HDEE CN(C)CCC[C@@H]1CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCO1 1679944200 IRYGEZBVEFPXOZ-BBWFWOEESA-N 409.531 1.498 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)CC1 1680021038 RRQSCPOIUSEJBH-KRWDZBQOSA-N 419.551 1.143 30 10 HDEE CO[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C12CCC2 1681857135 FAEPCXWCNUOPRE-QZTJIDSGSA-N 418.519 1.532 30 10 HDEE Cc1ccc([C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccccn2)cc1 1682265144 QIQLYVIKMQDWSM-IBGZPJMESA-N 416.441 1.880 30 10 HDEE C#CCCCn1c(N2CC[C@@H](CN3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1689941966 YTLUXNUFSJWDOX-SIKLNZKXSA-N 417.554 1.502 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1690067694 HOCIQTPZYBUVMW-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(CC)c1 1690072305 CAJVZZNTMFBHMZ-UHFFFAOYSA-N 416.489 1.916 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1690170085 YUXTVTUNFQNTEK-BEFAXECRSA-N 402.524 1.429 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCC(F)(F)F 1690175293 UIVJPTCUCMSFLY-GFCCVEGCSA-N 410.487 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1690253215 NUPXOBQXRMOXBF-NUJGCVRESA-N 412.556 1.809 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCc1ccco1 1690532007 GAMLVEPFIFZAKT-UHFFFAOYSA-N 414.491 1.801 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](SC)C1 1690674918 KETHGDWDPLOESF-HNNXBMFYSA-N 406.556 1.425 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1690722540 NACRKENCPNHTOQ-RDJZCZTQSA-N 407.540 1.746 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2OCCC2(C)C)CCOC1 1692591834 FIOLTQDAOSPGJI-CSODHUTKSA-N 419.526 1.863 30 10 HDEE CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CC1 1695758327 FCZQIOOQENEDIN-INIZCTEOSA-N 406.556 1.404 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCC2(O)CCOCC2)CCOC1 1696021545 BLKHXLFJFVSZTP-OXQOHEQNSA-N 407.515 1.458 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1705533949 VEOUFFHULYDMDT-IEBWSBKVSA-N 414.554 1.722 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1OC)[C@H]1CCS(=O)(=O)C1 1705560111 IKKMYMKNPHJPLJ-WBVHZDCISA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1705566849 RDAUZAVUFSWZRB-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567255 VCXLIYSFNVDEPI-IRXDYDNUSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705567256 VCXLIYSFNVDEPI-SJORKVTESA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)c(C)c1)[C@H]1CCS(=O)(=O)C1 1705568477 OHEOJRKGADGBJU-KRWDZBQOSA-N 420.510 1.937 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C)C1 1705695525 BREIUGWVCFZBLD-JJXSEGSLSA-N 413.544 1.095 30 10 HDEE C=CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1705809198 KGVMOFIAHNJCAH-LPHOPBHVSA-N 412.556 1.910 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705822082 SBCWEKCAZPODKD-QGZVFWFLSA-N 421.571 1.624 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(c2nccs2)CC1 1705900719 NFANMVUFCJRKLG-UHFFFAOYSA-N 410.507 1.878 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1705950342 YEYMPNIDIGQYGM-QGZVFWFLSA-N 420.583 1.449 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1CC[C@@H]1COCCO1 1711073392 WLZXFBMCHBQKBO-LJQANCHMSA-N 424.505 1.828 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2CC[C@@H]2COCCO2)cc1 1712878731 KAVZHEJEAJODDN-LJQANCHMSA-N 424.505 1.714 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2OC)CC1 1722335143 BLAJSRIXQRYXRG-QGZVFWFLSA-N 408.506 1.978 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC=C 1722388705 ICRXZNGJERRREX-UHFFFAOYSA-N 407.499 1.880 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1722643014 CPDQXVGBOBNWJG-UHFFFAOYSA-N 410.478 1.633 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)Cc1cnn(C)c1C 1722694864 KYKZXQUIYFNOJZ-UHFFFAOYSA-N 423.477 1.654 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1722698363 FDPLBPMJXWEBLH-OALUTQOASA-N 422.489 1.534 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2nnc(C)s2)C1 1722709429 QHMLWWKSXZYQLF-HNNXBMFYSA-N 419.555 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1740539758 VIXPOCLQUFAMID-SQGPQFPESA-N 424.567 1.601 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1C[C@H](C)O[C@@H](C)C1 1740598385 OLRLZLLYTFFHNI-IRXDYDNUSA-N 404.559 1.765 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1740753249 HDGJGTKQTBTTRG-OAGGEKHMSA-N 400.487 1.100 30 10 HDEE C=CCC(C)(C)Cn1c(C)nnc1N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1740844793 VAZTVBRYJCOBME-UHFFFAOYSA-N 421.571 1.742 30 10 HDEE CN(C)CCOCCn1c(-c2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1747596317 FKOPXRBWOXHPKE-SFHVURJKSA-N 410.526 1.095 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1748751519 IHFCJZBOXVNQPW-KRWDZBQOSA-N 415.519 1.329 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCOC1 1748950448 KGXBAQUHZMWUER-OAQYLSRUSA-N 416.478 1.200 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)C2CCCC2)CC1 1748995209 ZNSQEHWOVKBSPB-UHFFFAOYSA-N 424.597 1.769 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1749667084 SLDHUHUYZXIKEB-UHFFFAOYSA-N 415.586 1.453 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749670239 PAQFMKLFVXXDQN-ILXRZTDVSA-N 413.544 1.080 30 10 HDEE C=CCSCCn1c(N2CC[C@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1749764303 YNZXBOBDLCVJBL-WOJBJXKFSA-N 421.567 1.708 30 10 HDEE COCCOCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1750105499 RARDXFJWSXCCMI-OAHLLOKOSA-N 412.498 1.195 30 10 HDEE CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CCC1 1750255919 BOLCUKHIZWDWGI-CHWSQXEVSA-N 400.574 1.912 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1760151854 QHYYGNYKURIZPN-IBGZPJMESA-N 407.522 1.496 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC(C)(C)C(=O)NCC)CC1 1760259802 QFNBGKKMMFICMI-QGZVFWFLSA-N 402.543 1.437 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccn(C)n2)CC1 1760269786 OWEMVJBLCAUIMI-GOSISDBHSA-N 411.510 1.267 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1760287639 ZQQZYGWWPVPFOH-ULQDDVLXSA-N 421.567 1.331 30 10 HDEE C=CCn1c(N2CCN(CC(=O)NC(C)C)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1760513940 KUSWUUPXRYGJQA-OAQYLSRUSA-N 420.558 1.151 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760523813 IIWRUXMIIHSGRD-MSOLQXFVSA-N 416.570 1.785 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CC(=O)N(C)C)C1 1760539359 MUTOOQWXVMOVQZ-INIZCTEOSA-N 415.494 1.832 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCOC(C)C)CCOC1 1765923386 OOHYPIDOZDYETB-XLIONFOSSA-N 407.515 1.864 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC=CCO1 1767424228 RBPSEGKCMPTKJX-KRWDZBQOSA-N 401.492 1.643 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1767768292 SYWBALDTHDMBBZ-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CCS(=O)(=O)NCCCn1c(Cc2ccncc2)nnc1N1CCC(C#N)CC1 1768288000 YXHKXUWKNVORFJ-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCCC2)CCO1 1770746204 ARUSSTUKCFIBGY-KRWDZBQOSA-N 424.509 1.530 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](C)C#N 1771238919 SBNUMLFOEKKPLS-GDBMZVCRSA-N 413.482 1.294 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC=CCC3)n2CC(=O)N2CCOCC2)cc1 1771534661 KATIYSZHJGKEBY-UHFFFAOYSA-N 408.462 1.354 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NCC(F)F)CC1 1772555096 FDJLYCRXUIOVOK-IBGZPJMESA-N 413.469 1.714 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2nccnc2C)CC1 1772566750 MTFOOIVWASUBHZ-UHFFFAOYSA-N 410.526 1.663 30 10 HDEE CC(C)(C)n1ncc2c(=O)n(CCC(=O)N3CC(Oc4cccnc4C#N)C3)cnc21 1849705175 YYXISJGKZXDTFM-UHFFFAOYSA-N 421.461 1.295 30 10 HDEE C=CCN(CC(=O)N[C@@H]1CC(=O)c2cc(OC)c(OC)cc21)[C@H]1CCN(C)C1=O 1851727751 POYIZWYRJXYMSI-CVEARBPZSA-N 401.463 1.166 30 10 HDEE NC(=NOCCc1nc([C@H]2CC(=O)N(CCc3ccccc3)C2)no1)c1ccncc1 1853559540 SCSLKZRSIYFKED-SFHVURJKSA-N 420.473 1.903 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1853759052 QKCFWQQANNURAB-LPHOPBHVSA-N 412.465 1.932 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)C(=O)C1 1853947700 ZQNHAIMXDDVUOI-QZTJIDSGSA-N 409.467 1.721 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1854721934 BSDZDLYKJLMXEB-LBPRGKRZSA-N 417.409 1.551 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@H]1CCOC1 1854749711 HADGSJKHWZZRGH-INIZCTEOSA-N 404.488 1.892 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2nnn(C)c2C(F)F)CCN1CC(=O)c1ccc(C#N)cc1 1855188928 DEAVOJHGJMYBAF-NSHDSACASA-N 416.388 1.180 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)C(=O)C1 1855395934 HEFMGLQJUNCPQM-CALCHBBNSA-N 419.547 1.824 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC[C@@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1855427720 VDPXFUWZFCRYRT-APWZRJJASA-N 417.531 1.897 30 10 HDEE CCOCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1=O 1855450791 HGXOWFXNERULAJ-KRWDZBQOSA-N 419.503 1.371 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cn2ccnc2C2CC2)CCN1CCOc1ccc(C#N)cc1 1855897026 DWLLPLNBVLDRSD-MRXNPFEDSA-N 407.474 1.770 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(Cn3nc(C4CC4)ccc3=O)CC2)CCC1=O 1856037066 UPQHPNMIGDCKQT-KRWDZBQOSA-N 411.506 1.512 30 10 HDEE Cc1cncnc1N1CCN(C[C@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856407426 DPSIROIXEYRODO-GOSISDBHSA-N 404.474 1.468 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1856871706 BTUCNMWVWZMUEP-ICSRJNTNSA-N 416.566 1.489 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CC3CC(F)(F)C3)C2=O)CC1 1857067555 HCDVZOOTQKZEAO-INIZCTEOSA-N 403.433 1.638 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(CCCC#N)C(C)(C)C2=O)cc1 1857084527 LAYIDWJPDUFYAK-UHFFFAOYSA-N 421.519 1.612 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857236317 DEZSNJCZHQPIGT-VQIMIIECSA-N 415.490 1.168 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccccc2F)C1)[C@H]1CCN(C)C1=O 1857281569 MAYRLNVWQYSBSQ-RDJZCZTQSA-N 403.454 1.298 30 10 HDEE C=CCn1c(C(=O)NC[C@@H](C)O)cc2c(N(CCO)Cc3ccccc3)ncnc21 1873593655 UAZQRJZOGBYPTL-MRXNPFEDSA-N 409.490 1.727 30 10 HDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCN(C)CC3)ncnc21 1873595499 GAFALEMOYZFBDG-UHFFFAOYSA-N 408.510 1.386 30 10 HDEE Cc1ccc(/C=N/n2c(SCC(N)=O)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc1 1874338338 QOUBINQHKOAQRX-PZEXIZOFSA-N 400.508 1.770 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)COc2ccc(-n3cnnn3)cc2)CC1 1891814320 MZUBPGYBTZWQJJ-UHFFFAOYSA-N 418.461 1.435 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CC#N)C(F)(F)F 2046061983 LWVUTBSFQPFITD-DOMZBBRYSA-N 421.372 1.775 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2065515482 PWXNLVDQFJCQQN-NSHDSACASA-N 414.304 1.543 30 10 HDEE C#CCN(C(=O)[C@](C)(CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180138552 YVULSIOANSSUHA-SJCJKPOMSA-N 408.467 1.574 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243389804 LRVNLFHHSSMXPQ-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)O)CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243394825 NJXYHKATGXIQQH-LJQANCHMSA-N 408.260 1.202 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243684813 HKDNXXBIMDCIAK-NSHDSACASA-N 424.332 1.455 30 10 HDEE C#CCN(CC(=O)N1CC(COCc2ccccc2)(C(=O)O)C1)C(=O)OC(C)(C)C 2243706379 WABKXXYDOMOWFB-UHFFFAOYSA-N 416.474 1.987 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247837614 VICOLKDEAMIZPM-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE CC1(C)OB(c2nccnc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2248054676 IIKWCTWHWFXQMU-UHFFFAOYSA-N 410.283 1.294 30 10 HDEE C[C@@H](CCNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2248057637 WIUZSHOIZPPYGA-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248063392 KWXUMNVWRGBMEZ-CYBMUJFWSA-N 420.319 1.666 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248433727 PDIYMDXVZWCZBD-ZDUSSCGKSA-N 421.303 1.453 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2248590018 YBJPVZRBHHVBOO-KRWDZBQOSA-N 414.267 1.714 30 10 HDEE CC1(C)OB(c2sccc2C(=O)N=[S@](C)(=O)N2CCOCC2)OC1(C)C 2282030764 KFBZJJDDYBLDRG-SANMLTNESA-N 400.331 1.533 30 10 HDEE C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282345893 RWGRESJFQLVVQA-CHWSQXEVSA-N 400.375 1.808 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H](S(C)(=O)=O)CC1(C)C)B1OC(C)(C)C(C)(C)O1 2282496888 IYLVCXIQMUVXKW-ZDUSSCGKSA-N 407.363 1.401 30 10 HDEE CC1(C)NCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282497943 WYIPDHNDNLXMDX-LBPRGKRZSA-N 401.363 1.002 30 10 HDEE C[C@H]1OCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1C 2282500411 KRPSSUYZFUWGLG-VXGBXAGGSA-N 402.347 1.381 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2C[C@H]2[C@H](C)O)c1B1OC(C)(C)C(C)(C)O1 2282502499 MAIIGBQDZBBDDM-TVYUQYBPSA-N 401.359 1.712 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@H]2CS(C)(=O)=O)OC1(C)C 2282518036 VJIIEOWQXOGXBO-NSHDSACASA-N 400.331 1.092 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282539352 SJXUWQBNEVKWMY-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE COCC[S@](=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282618279 PULPNLPANWTDPS-AREMUKBSSA-N 421.777 1.826 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282830213 QLCSTNNAPMFOTK-JOCQHMNTSA-N 401.359 1.938 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H]1CCNC1 2282836487 KRGXGVBQUKABKS-CYBMUJFWSA-N 400.375 1.586 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1COCCO1 2282850185 LYLXZPDFTIJCOB-WCQYABFASA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CC[C@H](N)CC3)c2)OC1(C)C 2282857808 NBLKPRDYRTXMIC-MQMHXKEQSA-N 400.375 1.843 30 10 HDEE CCSC[C@@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282859230 JPVNJAJEDFLPCF-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CN1CCC(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1 2282863616 UOCGKZPVPNXABQ-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282872239 SQVHCBLVVMJFQO-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)N(CC(=O)O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2284414549 IKUDURRVZIUOCC-UHFFFAOYSA-N 403.331 1.839 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@@H]2C(=O)N2CCOCC2)cc1 2297645919 YELSNUWEOXIGAG-VQTJNVASSA-N 406.442 1.474 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)CC1=O 2322122922 GTCZIKBMVWXONJ-GFCCVEGCSA-N 423.520 1.810 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc([N+](=O)[O-])s2)cc1 2325683862 MRNQUGAGJQTMRG-UHFFFAOYSA-N 423.428 1.702 30 10 HDEE NC(=O)CSc1nnc(Cc2ccc(F)cc2)n1N=Cc1ccc(O)cc1O 2329827243 HUJVTDUPQFPVHD-UHFFFAOYSA-N 401.423 1.879 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365208325 BUAHXQDEBBCJEY-LVQVYYBASA-N 400.541 1.555 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(COC)CN(C(=O)OC(C)(C)C)C1 2365209587 HNRCZJWTERUQQG-HNNXBMFYSA-N 402.557 1.675 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)[C@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 2365212301 QZVNHQHKRCROBV-SOUVJXGZSA-N 400.541 1.019 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792320 NLNDNSZXUHJHLH-KBPBESRZSA-N 403.497 1.588 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1CC 2367808973 IORHUTJHMCSPKG-DOXZYTNZSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2367822655 WWXAWAFGEAXKFJ-XHSDSOJGSA-N 402.557 1.313 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CC[C@@H](C3)NC4)cc2Cl)OC1(C)C 2369645023 QEXJOLSCNNWHAK-QFYYESIMSA-N 418.777 1.874 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(OC)c(OC)cc21 44361183 RROYRWPQQIVELG-RUWSDDDDSA-N 423.516 1.205 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 97061192 KIJVPHQMUYAIMG-KLOMGHIOSA-N 404.555 1.877 30 10 HDEE CC(C)(C)OC(=O)NC1CN(c2cc(C#N)cc(B3OC(C)(C)C(C)(C)O3)n2)C1 309870203 QCCINGYAVVGGMP-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)C[C@H]1CCCO1 404858305 BHCLIZNLJCRIBD-CQSZACIVSA-N 401.359 1.988 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)CC1 435158151 IIIALQMZADMZFZ-UHFFFAOYSA-N 416.425 1.186 30 10 HDEE CCc1nn(CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)c(=O)c(C#N)c1CC 440876671 BWNOUZRWFPUUGG-UHFFFAOYSA-N 406.439 1.421 30 10 HDEE C=CCNC(=O)Cc1noc(-c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)n1 445342993 PWNLDFBTPOCFRJ-UHFFFAOYSA-N 405.411 1.849 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@]4(C3)NC(=O)NC4=O)c2)c1 447761198 TYGUXWFKYLSZSR-JOCHJYFZSA-N 404.426 1.951 30 10 HDEE COc1cc(N2CCN(C(=O)Nc3cnn(-c4ncccc4C#N)c3)CC2)ncn1 462087464 COSZWOGMKVAGCX-UHFFFAOYSA-N 405.422 1.292 30 10 HDEE COCCN1CCCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1=O 468612347 YWDVITORPBNCMG-UHFFFAOYSA-N 415.494 1.534 30 10 HDEE CCC1(CC)CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC[S@@]1=O 470598011 IEUDKNQXGOOLSA-SANMLTNESA-N 411.549 1.560 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481019636 GGSUNOIHENCFRY-HNNXBMFYSA-N 422.526 1.592 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)c1 488858661 NZHXOSZWEUFRSG-UHFFFAOYSA-N 411.480 1.863 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 499586900 CGHPFBSZIDXKCS-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE Cn1ncc(I)c1C(=O)Nc1cnn(-c2ncccc2C#N)c1 500031261 CXGMTRYQWYHHMQ-UHFFFAOYSA-N 419.186 1.729 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 532921367 BQZCXNYFEXPTGO-WUZYXKQASA-N 417.554 1.072 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 533125501 LPSSKCOEOZALTH-CQSZACIVSA-N 413.521 1.020 30 10 HDEE COCCOc1ccc(CNC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc1 545504771 AKIXBCDHRJQIIB-UHFFFAOYSA-N 409.490 1.417 30 10 HDEE CC1(Cn2cc(C(=O)N3CSC[C@H]3C(=O)Nc3ccc(C#N)cc3)nn2)COC1 546069904 POAMQHNWLCYEAF-INIZCTEOSA-N 412.475 1.340 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 552582451 LSLIPKSUXGXGMK-WFASDCNBSA-N 415.475 1.502 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 553904087 DPDBRYLNHORAGO-IRXDYDNUSA-N 414.462 1.809 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccn3)n2Cc2cccs2)CC1 555435933 GHJAKYPPPJXACY-UHFFFAOYSA-N 423.546 1.874 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2CCCCO2)CC1 555503347 USHCDCSGWYXFEV-ZWKOTPCHSA-N 404.559 1.785 30 10 HDEE COC[C@@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 557249397 BMXDRJJBSHUZJJ-VQTJNVASSA-N 420.469 1.674 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1c1ccco1 584141796 PPTKYDAHMKRAMU-GOEBONIOSA-N 407.496 1.732 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)NCC1CCN(c2nccnc2C#N)CC1 585227029 IGOQRMQTIXXTEV-UHFFFAOYSA-N 401.492 1.860 30 10 HDEE N#Cc1ccc(NC(=O)NCCCN2CCCS2(=O)=O)cc1Br 588315303 ZCTYNQGHPQIHEO-UHFFFAOYSA-N 401.286 1.868 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)nc4ccccc34)CC2)C[C@H](C)O1 610245707 BLZYATVQHILROA-HOTGVXAUSA-N 415.519 1.582 30 10 HDEE COC(=O)c1cc(S(=O)(=O)NCc2ccc(C#N)cc2F)c(C(=O)OC)s1 611017323 JRSHDSDYCFSHRP-UHFFFAOYSA-N 412.420 1.811 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(Cc3n[nH]c(C)n3)CC2)cc1 611431190 YIQGEHNHVLGDPG-UHFFFAOYSA-N 411.510 1.576 30 10 HDEE C[C@H](C#N)CN(C)S(=O)(=O)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 619712973 DXZJAOVCMUJFMD-GDBMZVCRSA-N 400.526 1.229 30 10 HDEE COCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1CCCO1 619850212 PDLHOVBJLNTJLT-MRXNPFEDSA-N 400.458 1.941 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2cccs2)n1CC)[C@@H]1CCS(=O)(=O)C1 729330922 HXMAFTNFLYIEBV-CYBMUJFWSA-N 424.573 1.768 30 10 HDEE N#C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C1CC1 731203167 MAZZKQQLBHNNLW-QGZVFWFLSA-N 413.455 1.926 30 10 HDEE CC(C)OC(=O)N1CCC(NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 733044039 HHDRZUKPFUYCMS-UHFFFAOYSA-N 400.483 1.794 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)O[C@@H](C(N)=O)c2ccc(C#N)cc2)cc1 734556149 LFPGFWKQNVVUBK-GOSISDBHSA-N 401.444 1.305 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC(=O)Nc1ccc(Br)cc1 735852690 DZCANQWKMMIBJI-WUKNDPDISA-N 421.251 1.420 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@H]1c1cccnc1 740923658 LPCBPUQKHWGRKV-VQIMIIECSA-N 420.473 1.687 30 10 HDEE COc1ccc(CNC(=O)NCCNS(=O)(=O)Cc2ccccc2)cc1C#N 746767987 FEKOSMRQPNMWTL-UHFFFAOYSA-N 402.476 1.486 30 10 HDEE COc1ccc(COC(=O)c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1C#N 747020165 JXOZBNWAGXFCAA-CYBMUJFWSA-N 404.444 1.583 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 748408255 TXZQOYJEUQHJTB-KRWDZBQOSA-N 404.488 1.982 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC(F)F)cn1 751922632 DPVVSXOMCTUPDK-LBPRGKRZSA-N 402.471 1.168 30 10 HDEE O=C(O)COCCNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757470608 KECPODFHQQJLJC-UHFFFAOYSA-N 422.437 1.746 30 10 HDEE N#C[C@@H](C(=O)CN1CC[C@@H](C(N)=O)c2ccccc21)c1nc(O)c2ccccc2n1 759469745 CBFSAIHUSYQSCC-ZBFHGGJFSA-N 401.426 1.991 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1c[nH]nc1-c1ccccn1 767768898 QHCDSKZZZSEKQX-UHFFFAOYSA-N 410.459 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C2CC2)C1 772740983 LVPFUGBZMHAZNG-IJYGLTAASA-N 418.494 1.903 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC(F)(F)C[C@@H]2CO)c1 782020728 YJCLWMQPDGGTSF-QQJFDMGQSA-N 416.450 1.733 30 10 HDEE Cc1cc(C(=O)OC[C@@H]2CCCN(S(C)(=O)=O)C2)nn1-c1cccc(C#N)c1 786476551 HVZZHCWTPHKLJT-MRXNPFEDSA-N 402.476 1.881 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)n1 789167439 WPGIOGOTSTVEON-MOMVYJMYSA-N 404.511 1.996 30 10 HDEE CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCOCC2)c(F)c1 789969360 DQOBRPFFTCNVAJ-UHFFFAOYSA-N 401.471 1.734 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)[C@H]1Cc2ccccc21 795324888 MLTXBNGDDYWFAZ-KRWDZBQOSA-N 412.467 1.958 30 10 HDEE CN(C)C(=O)c1cccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)c1 797035414 CZWXLEJUNLUFAV-UHFFFAOYSA-N 415.446 1.936 30 10 HDEE CC(C)[C@@H](NC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1)c1ccc2c(c1)OCCO2 798747354 HJFSZDIGATXVQU-BFUOFWGJSA-N 413.434 1.539 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@]4(C[C@H]5C[C@H]4[C@@H]4CCC[C@H]54)C3=O)CC2)n1 799138444 BKNULKNFPZVLLC-FVQTWHFISA-N 420.517 1.779 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 800127464 TVIWVNBDGVCOLF-SFHVURJKSA-N 416.544 1.569 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3COCCO3)n2CCc2ccccc2)CCN1C1CC1 802299937 NRFHGNGVQLKKLT-WOJBJXKFSA-N 408.506 1.785 30 10 HDEE N#CCCOCCOC(=O)[C@@H]1[C@@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@@H]12 815248197 SJDDYJHQSBNBOA-GMSFPVLESA-N 420.465 1.939 30 10 HDEE C#CCN(C(=O)NC1CCN(c2cccc(OC)c2)CC1)[C@@H]1CCS(=O)(=O)C1 1116465176 QMJMLGAAEYBEKP-GOSISDBHSA-N 405.520 1.496 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC(C)(C)c2cccc(C#N)c2)C(=O)C1 1130876536 JSHNSORAOTYORF-UHFFFAOYSA-N 400.479 1.989 30 10 HDEE CCCOc1cn(-c2ccccc2)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134276621 ZWDXBAHRTAFGQX-YWZLYKJASA-N 414.487 1.671 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 1139787742 AGICYCOMMAAHRC-IAGOWNOFSA-N 422.913 1.934 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)N2CCCCCC2)s1 1142582493 PVICHPTUIMMFAC-UHFFFAOYSA-N 413.565 1.664 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc(Br)cc2)CC1 1152972862 DNFCBJVNJMOXKW-CYBMUJFWSA-N 414.325 1.164 30 10 HDEE C#CC[C@@H](NC(=O)CN1C(=O)NC2(CCC(C(C)(C)CC)CC2)C1=O)C(=O)OC 1161356957 HWTWXODOXUABKB-FAGJFJLWSA-N 405.495 1.585 30 10 HDEE C[C@@H]1[C@@H](C)N(Cc2ccccc2)[C@H](C)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1164478265 CGVCURWUBNEZCA-BRWVUGGUSA-N 409.490 1.721 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@H]1C 1178063087 KTNGXRDCANDMGZ-MGPQQGTHSA-N 407.492 1.161 30 10 HDEE CN(C)S(=O)(=O)c1ccc(CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)s1 1188702092 XCPWBFJJKYJMFG-SFHVURJKSA-N 418.500 1.837 30 10 HDEE C#CC1(F)CN(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)C1 1228391149 PCQGHRWHRBHGSN-UHFFFAOYSA-N 400.498 1.725 30 10 HDEE C[C@@H](C#N)CNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1233951534 FHYBXHLJLAMMLW-GXFFZTMASA-N 412.231 1.633 30 10 HDEE C=CC[C@@H]1CCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1251731569 JLCHVGQDFVVAFY-CQSZACIVSA-N 407.492 1.438 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(N2CCOCC2)CC1 1286277072 WLMQHBREEZVATC-UTKZUKDTSA-N 403.527 1.253 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2ccnc2C)nc1 1286378967 AIMVFFPJFKYEOV-UHFFFAOYSA-N 404.478 1.407 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@@H]1C 1286408193 BDZFYMYPLJXRAK-QVKFZJNVSA-N 400.429 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1ccn(C)n1 1286416419 RPKGDRLAVZBTJG-UHFFFAOYSA-N 407.503 1.319 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1286521668 BPDAHFXUPJUAGJ-OXJNMPFZSA-N 414.535 1.513 30 10 HDEE C=CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286697407 MMXPKSZWJYEMDL-IBGZPJMESA-N 411.554 1.993 30 10 HDEE C=CCN(c1nnc(-c2cccc(C)n2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1286737847 RCRAVBUEOVEDCP-UHFFFAOYSA-N 417.535 1.743 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(C(=O)NC)c2)C1 1286809871 WBNCECUXGVUPKW-SFHVURJKSA-N 419.489 1.924 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1288529272 HCGDLRJXZHHLGE-HNNXBMFYSA-N 415.523 1.690 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCOCCCO)c1 1289513411 NHEMHTQELUWUNQ-SFHVURJKSA-N 415.494 1.602 30 10 HDEE CN1CCCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)C1=O 1291649706 LAJPNADDLNNNNR-HGSNWSKYSA-N 406.508 1.696 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCOC 1293097386 JCMYBMOHWGJJIJ-UHFFFAOYSA-N 402.474 1.841 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H](C)N1CCOCC1 1293144718 JWHWOIPHQCLIKH-KBPBESRZSA-N 421.339 1.982 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H]3C[C@@H](N(C)C)CC[C@@H]32)c1 1295287275 YPVZDFVWJWHHCB-YSIASYRMSA-N 404.532 1.807 30 10 HDEE CCOCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1297515624 IOJQFEBIZABHRG-UHFFFAOYSA-N 408.466 1.501 30 10 HDEE CN(Cc1cscn1)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1298431139 HNBOSRWAGTXJKS-UHFFFAOYSA-N 402.505 1.954 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300485364 VCYZDOUQKRKOMV-JKSUJKDBSA-N 423.583 1.507 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)CCS(=O)(=O)CC 1300895952 XMNUQMKCEUXVSF-GVDBMIGSSA-N 412.556 1.982 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCCS2(=O)=O)CC1 1301065854 KKNQPERJNDQYOG-INIZCTEOSA-N 413.544 1.194 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1301249705 XHVYEUJPLHUCSY-HXUWFJFHSA-N 417.535 1.948 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCc2sccc2C1 1301273918 YHPYCHZHVBMQRZ-CQSZACIVSA-N 424.596 1.630 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(O)CCC(F)(F)CC3)C2=O)cc1 1301291877 VFFHNBDZHWCFNZ-OAHLLOKOSA-N 420.416 1.820 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1301578440 ASNUDTFBHRBVBA-NVXWUHKLSA-N 421.523 1.181 30 10 HDEE CO[C@@H]1CC[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCS(C)(=O)=O)C[C@@H]21 1302384011 OJUSEOORBUIFND-FGTMMUONSA-N 415.519 1.723 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3noc(C4CC4)n3)C2)c1 1303314053 MAWPMFUTXHBARP-MRXNPFEDSA-N 418.475 1.625 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1CCOc1ccc2c(c1)OCO2 1303323834 DBUYBGYDNCXCIV-AWEZNQCLSA-N 414.466 1.962 30 10 HDEE C[C@@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1305238632 LQSYBWLEYSQGQJ-GDBMZVCRSA-N 412.519 1.949 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@@](C#N)(c4ccccn4)C3)CC2)o1 1307987431 FPVAEXARTDSMMK-QFIPXVFZSA-N 419.489 1.456 30 10 HDEE C#C[C@@H]1CCCCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1308143275 UFDDGEOGOGLXFX-HXUWFJFHSA-N 419.547 1.758 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cnn2cc(Br)cnc12)C(=O)OCC 1309506225 FJCUUYQJIOEHTM-NSHDSACASA-N 417.285 1.668 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(C3CCOCC3)CC2)c1 1309828082 GHEPZTSCXKDAAQ-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1(O)CCOCC1 1316291798 VALBCTUXODGEET-ABSDTBQOSA-N 419.526 1.674 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(CO)CC3)n2CCCn2ccnn2)cc1 1316533755 CQBZNTIAJJVAHN-UHFFFAOYSA-N 422.493 1.619 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2=O)n(C)n1 1318823992 HKBUMLLJECZJGD-WBVHZDCISA-N 407.430 1.302 30 10 HDEE C=CCO[C@H]1CCN(CN2C(=O)N[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1 1323974528 ILTDPDKFPKMCJD-YWZLYKJASA-N 408.499 1.542 30 10 HDEE N#Cc1cccc(C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)c1Br 1353222953 TUYDEHQIOZDIMH-UHFFFAOYSA-N 400.236 1.904 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2c3c(nn2C)CCC3)c1 1357484817 WCLQIQYUHICRBQ-XLNRJJMWSA-N 401.492 1.974 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@@H](C)C1 1358992758 WAVYOHVDMWIVDN-RBUKOAKNSA-N 412.538 1.193 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCc1ccc(S(C)(=O)=O)cc1 1358999598 WUUNZTWRFVYDGR-UHFFFAOYSA-N 417.535 1.522 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1cccc(C(N)=O)c1 1359025927 CXECKIAZSGDHIT-UHFFFAOYSA-N 404.474 1.497 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(CCOC)[C@@H](C)C1 1359105206 LFYHPTXNWCPWAS-NSHGMRRFSA-N 407.559 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@H]1CCOC1 1359296153 YQUXHEWKKKOIHZ-HNNXBMFYSA-N 401.467 1.490 30 10 HDEE Cc1ccc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CCOCCN(C)C)o1 1361222752 PHBMOQYOSXOUGS-SFHVURJKSA-N 413.526 1.601 30 10 HDEE COc1cc(N2C[C@H](C(=O)N(C)c3cc(C#N)ccn3)CC2=O)cc(OC)c1OC 1435929759 COLABDOEZRNMEX-CQSZACIVSA-N 410.430 1.995 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)[C@H](C)CC#N)c1 1443878551 HFSUEGFUDCWPLD-MRXNPFEDSA-N 421.567 1.957 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3Cc4ccccc4NC3=O)C2=O)cc1 1454625549 HCTFRWSPYHPGPR-QZTJIDSGSA-N 417.425 1.443 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(O)(C4CCC4)CC3)C2=O)cc1 1456627009 QJVLTSVASQMUTG-SFHVURJKSA-N 410.474 1.917 30 10 HDEE C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)N=[S@@](C)(=O)N(C)C 1458877185 SYAVMPYLRBYJAJ-HHHXNRCGSA-N 414.601 1.686 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@@H]3C(=O)NCC34CCOCC4)c2C#N)C1 1460853236 VEGBTPCSZULCTR-SCLBCKFNSA-N 416.547 1.958 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OCC 1464259509 SUPMKLLOHCJTRC-LBPRGKRZSA-N 424.928 1.290 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-n3cccc3)ccc2F)CC1 1464894151 OZHVAUMQRSSEOG-UHFFFAOYSA-N 405.455 1.234 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](N2CCCC2=O)CC1 1468992012 FIKYJHHZVMRSFT-WBVHZDCISA-N 418.519 1.229 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1469816084 ZHJJBGOSHFIYSZ-CZUORRHYSA-N 423.307 1.807 30 10 HDEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 1470903837 GHMAFROMNKIMIW-HZPDHXFCSA-N 402.561 1.270 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](N2CCN(C(=O)CC#N)CC2)[C@H](O)c2ccccc21 1473482603 BRXUOBPGPSKTEK-IEBWSBKVSA-N 400.479 1.902 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3cccc4c3OCCO4)CC2)c1C#N 1479415116 YHOIVJIRCTUEMV-UHFFFAOYSA-N 410.478 1.446 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)N(C)C 1499306719 DEGXGSYIQJGNTB-QGZVFWFLSA-N 409.494 1.400 30 10 HDEE CCCCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1500438985 YJZDRRFEJAWJHL-HMWBCQRISA-N 415.498 1.382 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1503704067 QELBBZOTXLSJMX-QYWGDWMGSA-N 418.542 1.904 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1503819010 WWVUJQIPJBHUJY-JOCHJYFZSA-N 424.505 1.872 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1507585843 OIWFIQGDNXMWRW-UHFFFAOYSA-N 422.493 1.605 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(F)(F)c2ccccc2)CC1 1507723287 CHKDTZWSKSRRFG-QGZVFWFLSA-N 414.460 1.776 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(C)CCCC)CC1 1507727921 VLKVQGSZFZOQMV-UHFFFAOYSA-N 412.586 1.627 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1507804589 GYLSFEFBINYQPL-LNLFQRSKSA-N 423.583 1.730 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1507842992 PJANTVMORZCTRR-QGZVFWFLSA-N 401.515 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 1508079872 FYNSQVYKYSVSKK-FQEVSTJZSA-N 401.515 1.622 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@H](CN2CCCCC2)C1 1508080437 BALIVHNZCPMQCO-GOSISDBHSA-N 411.554 1.898 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1508081348 XKBICGLDBJKHAZ-MRXNPFEDSA-N 410.526 1.348 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1508094509 OOPZKVDBYCYQRL-OAHLLOKOSA-N 414.535 1.493 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2ccnn2)C1 1508131936 PELBPSVTWDIQHI-GOSISDBHSA-N 411.514 1.603 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC=C(COC)CC1 1508138223 YJTPUSQVAFZNEN-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1COCCO1 1508811132 HTRRLTQMGRWXKI-GOSISDBHSA-N 412.494 1.441 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1509816589 AODWGYDDYYBPNR-IBGZPJMESA-N 419.507 1.400 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCC(=O)NC1CC1 1509952703 JCHNVIAJRNSRLL-ZDUSSCGKSA-N 413.482 1.803 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1519078544 RWYBCANSOWHAHB-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1cc(C)c(C#N)c(C)c1)C(=O)NCCN1CCOCC1 1525349396 URVDUNJTQLGGTE-FOIQADDNSA-N 400.523 1.768 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](N4CCOC4=O)C3)CC2=O)cc1Cl 1531180843 HEQOVLMUJYOBFA-DZGCQCFKSA-N 402.838 1.618 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCC2)c1)C(=O)OC 1535347132 PBWRHRQSGZRCQQ-OAHLLOKOSA-N 410.492 1.717 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cnn(CCF)c3)CC2)cc1 1538653909 QGTZHMGDDKVKIZ-UHFFFAOYSA-N 419.482 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1538976139 JESZTOVJRUWSCI-QKLQHJQFSA-N 424.567 1.744 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCc1cnn(C)n1 1539146007 VSZCMDJLETZWRM-UHFFFAOYSA-N 406.494 1.978 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1539221344 NYFLEVDDAGXHLS-ZACQAIPSSA-N 410.540 1.571 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCNC(C)=O)CC1 1539482337 LNHSULIRFGDFDQ-UHFFFAOYSA-N 402.543 1.359 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1539758397 MKTNJRIHVBKSPV-UHFFFAOYSA-N 411.572 1.684 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1540170300 MSBYELGTXHLAEW-QGZVFWFLSA-N 421.567 1.761 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCCO1 1540510712 GRKCANDNFKAKMN-OAQYLSRUSA-N 416.478 1.963 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(OCC(N)=O)CC1 1540854673 XCIXIMPZEPSJSU-UHFFFAOYSA-N 423.315 1.703 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cc(F)c(F)c(F)c1 1540862229 VWGPFDNUOYTDCS-UHFFFAOYSA-N 424.427 1.772 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCCC)c(OC)c2)nnc1N1CCOCC1 1540867000 HLZVNKMWXXFNFB-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](CC)O[C@H](C)C1 1540873246 SAGFZLGVVRSSHP-AEFFLSMTSA-N 423.521 1.823 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)[C@H]1C 1540880730 OYCKIIJWIYFALV-WBVHZDCISA-N 424.505 1.509 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](S(C)(=O)=O)C2)nnc1C(C)(C)C 1540909016 VDQPCEIPMRUTDT-AWEZNQCLSA-N 418.585 1.190 30 10 HDEE NS(=O)(=O)c1ccc(N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cc1 1541069653 VQNFGGXOVUHSLB-KMKOMSMNSA-N 417.462 1.404 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)N(C)C1CC1 1541840018 BFBHZGJZUSTOIW-OAHLLOKOSA-N 414.535 1.534 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CCC2)CC1 1554489246 HZUHCUNVMJNLSA-UHFFFAOYSA-N 423.521 1.539 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNC(=O)C2CC2)C[C@@H]1O 1555942521 MXARBFCXVQSZDJ-BEFAXECRSA-N 424.505 1.462 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2c(c1)OCCN2C 1556314764 YIHGIWKYJWPYFW-CYBMUJFWSA-N 400.460 1.692 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OC(C)(C)C)C(=O)OC 1556375776 RZEJFMBVYFYZOX-NJSLBKSFSA-N 400.472 1.261 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)nn1 1557105314 VNWWCGHLJWSWSZ-UHFFFAOYSA-N 404.427 1.662 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(C(=O)c4coc(C#N)c4)C3)[C@@H]2C1 1558066487 TXFREYIPHCINCM-IMJJTQAJSA-N 416.434 1.806 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1 1558420052 QIKWEILQYRSDTP-ZDUSSCGKSA-N 405.336 1.382 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)C1 1562590984 FDQNGMLMAHGWNY-MRXNPFEDSA-N 401.467 1.402 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC[C@](O)(c3ccc(Br)cc3)C2)n1 1564723810 HWXSRRLTCXPHOE-QGZVFWFLSA-N 419.283 1.605 30 10 HDEE CC(C)(CN1CCCC1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1584072485 CEMRACVVPGUCII-UHFFFAOYSA-N 418.563 1.950 30 10 HDEE C#C[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C1CCOCC1 1586730008 JQMROHVXHCTVSG-AWEZNQCLSA-N 405.501 1.456 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@H](C(=O)NC)C1 1587848148 YANJLHIREHKTDW-HNNXBMFYSA-N 419.489 1.970 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC1CCN(CCN(C)C)CC1 1588133427 GGVNESHZHDFHMD-NRFANRHFSA-N 412.582 1.866 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1588228705 KGTNRUGDVTULGE-IRXDYDNUSA-N 404.536 1.458 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1588659863 PBGINWFQUZCJJK-SIKLNZKXSA-N 411.506 1.688 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1589088745 HICTUGLIHJOFHD-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C1(C)C 1595466478 JKJOADVMBMQYHH-CABCVRRESA-N 406.531 1.358 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(C)(C)C)C1 1595550909 JMGRCVVUKPGMGK-HUUCEWRRSA-N 409.556 1.355 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCn3ccnc32)C1 1595664800 KFQYAKBUPHGUIO-SJORKVTESA-N 413.526 1.972 30 10 HDEE CN(C)CCCN(CCC#N)C(=O)c1cnc(I)c(O)c1 1597620844 MRTMBSVZPHFLKT-UHFFFAOYSA-N 402.236 1.699 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)n1 1612495805 RWZAPNCTUUGTGP-OAHLLOKOSA-N 408.466 1.354 30 10 HDEE COC(=O)[C@@H]1CN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)C2CCN1CC2 1614684824 CZEBSGAPEPIADD-IBGZPJMESA-N 400.328 1.807 30 10 HDEE CO[C@@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1618938893 GLVZVNVRXMWFBN-KBPBESRZSA-N 405.528 1.869 30 10 HDEE CO[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1(C)C 1619526084 PRBHZSHVAACCCC-BBRMVZONSA-N 419.507 1.554 30 10 HDEE C=CCOc1c(Br)cc(CN[C@@H]2CS(=O)(=O)C[C@@H]2OC)cc1OC 1620999689 BNILTLBLPNJMBA-HIFRSBDPSA-N 420.325 1.924 30 10 HDEE COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)s1 1622661722 NFWGTEIBFRIWIM-GFCCVEGCSA-N 401.510 1.876 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)C1CCN(c2ccc3nncn3n2)CC1 1628661738 AGWDGSZCRYFJPT-GOSISDBHSA-N 405.462 1.404 30 10 HDEE N#Cc1cnn(C(=O)c2c[nH]c3ccc(I)cc3c2=O)c1N 1630733056 NVVNXQPABOIBOW-UHFFFAOYSA-N 405.155 1.472 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1csc(I)n1 1630764882 UYTKMXBJTCXMST-UHFFFAOYSA-N 416.248 1.629 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1632797024 OATQUMYLUJDMST-IBGZPJMESA-N 400.479 1.206 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@H]2CCCO2)C1 1634209177 QDYJHHICTZLRBV-BZUAXINKSA-N 409.483 1.706 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)C1 1634555309 VDUCXLFMAVFFGH-GFCCVEGCSA-N 417.300 1.819 30 10 HDEE C#CC1(F)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)c2)C1 1636902492 JQPVRFRPBKRXHJ-CHWSQXEVSA-N 414.886 1.935 30 10 HDEE C[C@H](CC(=O)NCc1cc(C2CC2)nn1C)/N=C1/NS(=O)(=O)c2ccccc21 1639195379 BBAGHLZHLJPJCM-GFCCVEGCSA-N 401.492 1.431 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](N4CCOC4=O)C3)C2)C1 1640924508 OROOGGMCIMOTPO-WZHMAMEKSA-N 418.494 1.826 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1 1643774782 YYOJJKHPNSTOIK-YUELXQCFSA-N 407.492 1.462 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(C[C@H](C#N)CCC#N)CC2)CC1 1643889120 LUKXBJKEPDBPNG-KRWDZBQOSA-N 404.515 1.720 30 10 HDEE COC1(OC)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)C[C@H]1O 1644311113 GPPLCSBHSBOFAR-LJQANCHMSA-N 412.490 1.960 30 10 HDEE COc1cccc(C[C@@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)n2nnnc2C)c1 1644587313 IOMVICHMJHQSQE-SFTDATJTSA-N 420.473 1.838 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@](O)(CC)CCC(F)(F)F)c1 1645753253 CKKFMYMBIUZINK-INIZCTEOSA-N 406.426 1.812 30 10 HDEE CC(C)(C)OC(=O)N1CCCC(C)(C)[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1646148035 PNRNEADQOMMOGR-CQSZACIVSA-N 419.482 1.362 30 10 HDEE CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790514 LHGGJXILPYWYSM-AWEZNQCLSA-N 405.455 1.287 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N3CCN(CCC#N)CC3)CC2=O)cc1OC 1648962928 FFNDUOPLGVHVNQ-SFHVURJKSA-N 414.506 1.153 30 10 HDEE COc1cc2c(cc1OC)S(=O)(=O)N(Cc1c(C#N)cccc1[N+](=O)[O-])C2=O 1656255551 AGILIXCRYNWBJI-UHFFFAOYSA-N 403.372 1.828 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F)[C@H]1CCCO1 1662895918 RBCQIQMNHDBVMI-LSDHHAIUSA-N 404.485 1.437 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1663062148 BXJYYSIKERGBNV-UHFFFAOYSA-N 416.297 1.304 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@@H]2CNC(C)=O)c(C#N)cn1CCOC 1668605596 IFPQDKDSSKXLSY-MRXNPFEDSA-N 419.482 1.705 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NCC(=O)NCC(=O)OC 1670845662 SCRLCHXOBJLUDO-UHFFFAOYSA-N 400.229 1.425 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1682155910 DOIXCFAHSFKQGP-ULQDDVLXSA-N 402.561 1.222 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1689850842 IEMFGIQXXMIHCN-KGLIPLIRSA-N 419.482 1.416 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)C(C)C 1690013229 GUDAMDQVMJHTPK-UHFFFAOYSA-N 417.517 1.605 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(C2CC2)C1 1690047079 LEMUHIYNQBZFBY-ROUUACIJSA-N 415.563 1.127 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCOCC1 1690056375 QDHUGDOMTVVZMN-UHFFFAOYSA-N 424.549 1.756 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@](C)(O)CC 1690063381 ALBJOQYMRSFHLK-FQEVSTJZSA-N 419.551 1.816 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690124109 FNJJRSSIJZDNNH-UXHICEINSA-N 414.554 1.186 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(=O)OC)C1 1690220015 PPWLOVQWDNGLFI-STQMWFEESA-N 417.304 1.910 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC=C)C1 1690700688 WCBMFUNPNNCDKJ-DLBZAZTESA-N 410.540 1.902 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](CC)C1 1690725156 HOGQQZQIFQGZQU-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE CC1(C#N)CCN(c2nnc(Cc3ccccn3)n2CCCNS(C)(=O)=O)CC1 1692848978 RYHXSYNUURSCBN-UHFFFAOYSA-N 417.539 1.333 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1695438929 VVWHAJNUSYABNB-JKSUJKDBSA-N 410.434 1.457 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695897280 GWAHBTHYKYKNHK-CTNGQTDRSA-N 423.565 1.947 30 10 HDEE CC[S@@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1696523348 DPLKDSIYPNABRZ-FEDOZNFBSA-N 417.535 1.704 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1698061951 ZGJAGVFTKFSEDS-CVEARBPZSA-N 404.515 1.453 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1cccn(CC)c1=O 1705500720 SHMIKDFHNULFAZ-HNNXBMFYSA-N 424.530 1.957 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1705613345 YQKXLRSSKDHETG-INIZCTEOSA-N 409.556 1.507 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2)C1CC1 1705849336 JUBDGXRYPGAMGW-ULMVMLMRSA-N 423.583 1.984 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC2(CCC2)C1 1705894739 JNXFDYBLIABOPW-UHFFFAOYSA-N 404.515 1.258 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@H](C)OC(C)(C)C1 1705905800 HLUOKOSMIVPHIC-INIZCTEOSA-N 423.521 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCO[C@H](c2ccco2)C1 1705938293 UHMHGOBKCCXWNW-INIZCTEOSA-N 410.496 1.586 30 10 HDEE CN(C)CCOCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1711017551 RIYNHTSDRFPXHO-GOSISDBHSA-N 402.474 1.315 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1712565974 JRPAZYPDAWCYRS-KZNAEPCWSA-N 406.531 1.463 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccco1)N1CCCC1 1722353686 YXQKMGHHIYIQDI-SJORKVTESA-N 417.535 1.680 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCC[C@H]2C)CC1 1722446408 VIYDGPWLSNPNQK-QGZVFWFLSA-N 409.538 1.723 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCN(C)C1 1722658142 FWKGCMSAEXOAIS-HSZRJFAPSA-N 424.549 1.660 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCOC[C@H]1C 1722692428 LTHWRUYWATWDHJ-MRXNPFEDSA-N 412.494 1.675 30 10 HDEE CC(C)=CCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723044170 LJMIHMQAIOJFGG-NVXWUHKLSA-N 421.571 1.421 30 10 HDEE CC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1726811177 NQXAYWNCIZITFM-LZJOCLMNSA-N 413.478 1.338 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCN(C)CC1 1740535280 UOGLERXPPITNLB-INIZCTEOSA-N 404.584 1.799 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740549987 OMVGPGASSKRVBV-FFZOFVMBSA-N 422.533 1.302 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CN(CC(C)C)CCO1 1740642703 ZECDBMXLCGPCJZ-OAQYLSRUSA-N 423.565 1.569 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CC)[C@H](C)C1 1740716687 WUVRETFFRXXXEY-OAHLLOKOSA-N 416.551 1.903 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740781934 MBTYQRFOOUCOQJ-QWHCGFSZSA-N 409.512 1.840 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCNC(=O)C1 1740789723 JJBQOGXSVBVWEA-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2nncn2CC)CC1 1740834113 JTPTYXQNBOGIPX-UHFFFAOYSA-N 407.482 1.988 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1740948104 VCIQTHDJQOGVTM-OAQYLSRUSA-N 417.517 1.799 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2ccccc2)C1 1740951475 ZQDZSGWAFOASEQ-GOSISDBHSA-N 424.505 1.394 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1740966035 OHLMYGWDSIQZRL-OAHLLOKOSA-N 419.530 1.062 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1740970673 PAHWHUWMIWMHTL-CVEARBPZSA-N 411.572 1.781 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cn(C)nc1-c1ccccc1 1747219427 HIPXFUYFGWGIEV-GOSISDBHSA-N 407.478 1.992 30 10 HDEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)C1CCCC1 1747946507 FCQUKOJZICHHEX-KRWDZBQOSA-N 424.509 1.529 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOC[C@@H]1CCCO1 1748672629 VWVXCKWDGDPPJY-BBWFWOEESA-N 410.540 1.224 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCS(C)(=O)=O 1748709458 WMIXCEQWHXLVDX-UHFFFAOYSA-N 404.492 1.958 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1748817254 HOKQPWIJVDQNML-KRWDZBQOSA-N 408.568 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCO[C@@H]1C 1748836244 SDDFSSBDVHUOGR-ZHRRBRCNSA-N 410.474 1.575 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CCOCC2)CC1 1748992956 LKMPCTZSZDOYSL-UHFFFAOYSA-N 409.534 1.474 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCO[C@H]2CCOC2)CC1 1749004408 IJVNQDPGQQTRPE-HKUYNNGSSA-N 417.554 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1749658750 NXDMYPXWTUBKQC-UHFFFAOYSA-N 403.450 1.039 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)C1CCCCC1 1749731789 KKXGCJZKKCKOHM-MRXNPFEDSA-N 409.556 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1749738419 MMYFWKSUCMPWSB-IAGOWNOFSA-N 410.540 1.216 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCCO[C@H]2CCOC2)CCO1 1750385890 CQZYVQFYAPPIOC-HOTGVXAUSA-N 418.885 1.918 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC(C)(C)O 1751171121 CUSGZRDESSNMNM-AWEZNQCLSA-N 405.524 1.847 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1760117094 MIIVRQSUUZZLPC-GOEBONIOSA-N 407.540 1.259 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760152668 UVPPNTHOOJBXBE-OAHLLOKOSA-N 419.489 1.272 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)C(=O)NC 1760196393 MSOHBDXMYZXDGU-OAQYLSRUSA-N 401.511 1.164 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1760201321 PRZSHRFOOLCSOB-OAQYLSRUSA-N 414.513 1.961 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN(C)CCOC)CC1 1760258995 WHGZOKAIGPZOHD-UHFFFAOYSA-N 412.538 1.287 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NCC)CC1 1760284985 WRYNMVQHOSPFJZ-UHFFFAOYSA-N 413.551 1.482 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N(C)CC(=O)N1CCOCC1 1760450704 PUTWKISDUKDNPM-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C2CCCC2)CC1 1760523878 KAVGIKOOYRUWSE-GOSISDBHSA-N 402.543 1.887 30 10 HDEE C[C@H]1CN(CCCn2c(-c3cccnc3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1763198636 HBMJMURUWOKCHF-SCTDSRPQSA-N 411.510 1.568 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1764378492 JIVDQGLJRFUTFN-UHFFFAOYSA-N 421.505 1.498 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1765156805 BHBMESPRKXGJDW-DXQAYGFFSA-N 402.499 1.933 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1768905382 WUBLPBZJMABBCS-UHFFFAOYSA-N 401.452 1.119 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1769699284 DTFSKNAOILHQSO-TXSJJRPESA-N 402.499 1.933 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2Cc2ccc(C(N)=O)nc2)cc1 1770732494 BOIOSUCZSXNTGK-UHFFFAOYSA-N 417.473 1.568 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1770793463 ZXVDQKOOUXEGLD-FUHWJXTLSA-N 411.441 1.844 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C)(C#N)CC2)CC1=O 1771129042 DMGICRHYQQPKAE-DLBZAZTESA-N 416.526 1.755 30 10 HDEE O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)ON1C(=O)c2ccccc2C1=O 1772792303 KIJMBHLUYYFWDK-NRFANRHFSA-N 405.366 1.134 30 10 HDEE C=CCN(C(=O)c1cn(-c2ncccc2-c2nc(CC)no2)cn1)[C@H]1CCN(C)C1=O 1850410602 WVWIPKGNACOFQT-INIZCTEOSA-N 421.461 1.739 30 10 HDEE CN1CCN(c2cncc(CNC(=O)c3cn4cc(C#N)cc(Cl)c4n3)c2)CC1 1851846972 PRZICMJHPINJHH-UHFFFAOYSA-N 409.881 1.936 30 10 HDEE CC(C)(CN1CCN(CCCS(C)(=O)=O)CC1)C(=O)Nc1ccc(CC#N)cc1 1852217740 ZVHBZTZWBWAMSI-UHFFFAOYSA-N 420.579 1.770 30 10 HDEE N#C[C@H]1CN(CCCS(=O)(=O)NC2CCN(Cc3ccccc3)CC2)CCO1 1852444621 UKSDJVYBAVAWAH-FQEVSTJZSA-N 406.552 1.185 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H]1CC(=O)N(C2CCN(C)CC2)C1 1852494802 DJZHFLCEGIDQJQ-KBPBESRZSA-N 418.929 1.564 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCCCc2cnc3ncnn3c2)cc1 1852771179 GQYIIBDJHCDNFQ-OAQYLSRUSA-N 422.489 1.725 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C)[C@@H]1CCN(C)C1=O 1852959852 KHZPDKRIXMSTOP-SJORKVTESA-N 411.499 1.374 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](N2CCC(C#N)CC2)C1=O)n1nnc2ccccc2c1=O 1853765123 DQQHRTISRJYJME-KSSFIOAISA-N 408.462 1.106 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2noc3c2CCCC3)C1=O)[C@@H]1CCN(C)C1=O 1854101720 XVJXPZABZKOBBM-DLBZAZTESA-N 414.506 1.793 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C(=O)[C@@H]1C 1854282583 LNLKIEBENGDVCZ-JKSUJKDBSA-N 423.510 1.472 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N(Cc3ccc(OC)cc3)C3CC3)C2=O)CC1=O 1856073062 PJANHNVDDJHYOL-YLJYHZDGSA-N 411.502 1.822 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CC(S(=O)(=O)c3ccc(OC)cc3)C2)CCC1=O 1856147806 VSEORJYVSOOFER-MRXNPFEDSA-N 420.531 1.885 30 10 HDEE COc1ccc(OCC(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)c(OC)n1 1856518760 OCOLJFYFUMBYNG-CABCVRRESA-N 414.462 1.231 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CC[C@H](N4CCC(CC#N)CC4)C3=O)nn2)n1 1857387614 RZTJUOZEUDNUOG-SFHVURJKSA-N 407.478 1.646 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC(C)C)cn1CCOCCO 1870426107 JYPORRRQUSKJAP-UHFFFAOYSA-N 422.522 1.609 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1cccn1C 1874337216 KVWBVQZNVWBYTI-PFHXIJNMSA-N 404.496 1.488 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(OC)c(O)c1 1874432550 LNZIFPCGIAIEKJ-ZVBGSRNCSA-N 420.495 1.129 30 10 HDEE COc1cc(OC)c(OC)cc1/C=N/n1c(CNC(C)=O)nnc1SCCCO 1874435322 ZGWSTNDZBZRDGN-KEBDBYFISA-N 423.495 1.297 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@@H]1SCC(=O)N(C2CC2)[C@H]1c1cccnc1 1889642862 WCKRALBSDUIJCC-JRGCBEDISA-N 412.559 1.785 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC(n3ccnn3)C2)[C@H]1c1ccc(C#N)cc1 1892102024 PWKZDWLFYUGPHD-RTBURBONSA-N 410.503 1.627 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1960393365 DNJJFKVVYRPRHJ-FZKCQIBNSA-N 410.515 1.848 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc(Br)n1C 2010384118 PTOWPYUAFMXEBX-JTQLQIEISA-N 400.277 1.501 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010397705 UCGFMTQQBKFDSR-CYBMUJFWSA-N 422.291 1.254 30 10 HDEE N#C[C@@H]1CCCN(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)C1 2118161410 BPHIMGPMADAQHZ-ZWKOTPCHSA-N 422.507 1.094 30 10 HDEE CC1(C)OB([C@@H]2[C@@H]3CN(C(=O)CS[C@H]4CCS(=O)(=O)C4)C[C@@H]32)OC1(C)C 2163718832 PRZREVQUZKSHAX-XPCVCDNBSA-N 401.359 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCC(CCC#N)CC1 2181054797 BCGQIHCJFYHVBN-HNNXBMFYSA-N 401.529 1.857 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243675247 TYOSSADGMXECIP-LBPRGKRZSA-N 407.276 1.205 30 10 HDEE CN(C[C@@H]1CCN1C(=O)OC(C)(C)C)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815220 YCXXQTGBCHSIPQ-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@H]12 2247829712 VDIFSLYUTSIFKM-RYUDHWBXSA-N 418.303 1.304 30 10 HDEE Cc1c(C(=O)N(CC(N)=O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247918690 MFBCUWBGIQBWAZ-UHFFFAOYSA-N 412.299 1.155 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@]2(CCOC2)C1 2247933471 XOHSQMZJAHXXKN-YCRPNKLZSA-N 420.315 1.906 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2248400790 BAQNUKSLDFSBOB-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc(B3OC(C)(C)C(C)(C)O3)n2)COC1 2248444422 AGEGMCWYSSCAAP-UHFFFAOYSA-N 419.287 1.613 30 10 HDEE N#C[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258158112 ICXSMBZMNIISGM-ARFHVFGLSA-N 409.464 1.368 30 10 HDEE C#CC[C@@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258181453 NWOQZWHLDFDGGS-SJORKVTESA-N 408.476 1.574 30 10 HDEE C=CCCC1(C(=O)O)CN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2266310993 VWKCHLSHVLIVNB-UHFFFAOYSA-N 420.487 1.745 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCSCC(=O)O)s2)OC1(C)C 2269032203 MLYZCOUSYUEYBB-UHFFFAOYSA-N 407.344 1.143 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC(CC#N)CC1)NC(=O)OCc1ccccc1 2270511471 ZSQCFERPWPXGRF-QGZVFWFLSA-N 423.491 1.410 30 10 HDEE C=CC[C@]1(CN)CCCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2272172332 HLZOYYYLZNGRSI-WOJBJXKFSA-N 423.510 1.710 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@H](N)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282309455 FTNWGSASTGIRBQ-JOCQHMNTSA-N 400.375 1.904 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CNC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282309517 GNGNOUWHMYGLMM-STQMWFEESA-N 400.375 1.490 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](CO)[C@@H]1C 2282313840 QMZDRWFHJURGBS-WCQYABFASA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@H](N)C(F)(F)C2)OC1(C)C 2282346555 WULMAIYYXJGIRS-NSHDSACASA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCC[C@@H]2CN)OC1(C)C 2282505574 GDTRUHIEHNBQRA-OCCSQVGLSA-N 400.375 1.594 30 10 HDEE CCc1nc(C(=O)N(C)[C@H](C)C[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282524764 GEAJRVOGPXGVBF-QYOLQKOISA-N 400.375 1.844 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n(C)n2)C1 2282607564 LEDRQZXQFGWUNF-ZFWWWQNUSA-N 405.304 1.333 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3[C@H]4CS(=O)(=O)C[C@H]43)sc2Cl)OC1(C)C 2282617433 KDTKZVAFNJXBJD-BZBKMWRSSA-N 417.745 1.474 30 10 HDEE CC[S@@](=O)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282835856 ZBFNKXLUSDSEJT-RUZDIDTESA-N 421.777 1.686 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]2(C#N)CCSC2)OC1(C)C 2282846882 QIZSXTKNOXSCLQ-HNNXBMFYSA-N 415.371 1.261 30 10 HDEE C[C@@H](O)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848355 MPVQETGSWMDZFQ-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282850783 SXVDDINTAYWJAO-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](N)[C@H](C(F)F)C3)s2)OC1(C)C 2282852224 MIWUQMUBZMQJTF-ZJUUUORDSA-N 408.301 1.260 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284402391 NLNWMRILVQFULE-GFCCVEGCSA-N 403.693 1.781 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405719 OUAKKCQIMIYKHO-LBPRGKRZSA-N 403.331 1.969 30 10 HDEE CCCN(C[C@@H](C)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288010141 JKIOZKLNBHEINQ-CYBMUJFWSA-N 403.375 1.970 30 10 HDEE CN[C@@H](C#CC1(OC)CCCC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2363694678 PHYWIHSWFDPGBR-KXBFYZLASA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC[C@H]2[C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365176590 RBEOFFSTEGZYNW-JKSUJKDBSA-N 400.541 1.258 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365205879 WDOMWDVTNOVDPL-KXBFYZLASA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365206007 FLPMIQGOGPWNFI-DOXZYTNZSA-N 400.541 1.556 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CN(C(=O)OC(C)(C)C)C(C)(C)C1 2365213423 WRAWQNAJCIRSDO-KUHUBIRLSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](Cc1nccs1)NC(=O)OC(C)(C)C 2367784068 AHRKTKUOQYFYCD-KBPBESRZSA-N 413.565 1.748 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367792288 NEVYUNFDWOKDBF-PMPSAXMXSA-N 402.557 1.863 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@@H](C)Oc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 6466669 OFXKQKVFUBLFEQ-WBVHZDCISA-N 422.503 1.540 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n[nH]1 20423951 KEHZYJRGOINWSF-REZTVBANSA-N 415.439 1.932 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)NC(=O)Nc2ccc(C)cc2C)CC1 22760412 FGTHLQOUFFXGBV-KRWDZBQOSA-N 401.511 1.260 30 10 HDEE C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 96965950 GQNBZNAZKPBGEJ-QGZVFWFLSA-N 418.563 1.632 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@H](c3ccc4c(c3)OCO4)C2)c1=O 101764789 FEZSVQVMQMPHDP-ZDUSSCGKSA-N 412.402 1.245 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 107131747 LQQVURUBFJKELJ-HRBZDKHISA-N 422.474 1.605 30 10 HDEE C#CCn1/c(=N/C(=O)Cc2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21 137943785 YSMPXCOPSUZJBG-VZCXRCSSSA-N 415.496 1.662 30 10 HDEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3ccc(N(C)C)cc3)[nH]2)CC1 253566995 JPMWFJDNBFQOGX-XDHOZWIPSA-N 402.528 1.183 30 10 HDEE C=C(C)Cn1c(NN=C(C)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C 254516890 HQNNTDCECIIYHQ-UHFFFAOYSA-N 411.422 1.754 30 10 HDEE COc1ccc(CN2C(=NC(=O)CC#N)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254592881 KSSVIMBTFJSSEH-IUODEOHRSA-N 409.489 1.214 30 10 HDEE COc1cc(CNC(=O)CNS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1C#N 460593901 CEWZBFBYPBYVNU-UHFFFAOYSA-N 401.444 1.364 30 10 HDEE Cc1nn(C)c(C)c1C(=O)NC1(C(=O)NCC2CCN(CC#N)CC2)CCCC1 464802721 SZUJYSSWNHDSPZ-UHFFFAOYSA-N 400.527 1.431 30 10 HDEE N#Cc1ncn(CC(=O)N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 470376860 YECWKZOTHWFZPH-UHFFFAOYSA-N 423.260 1.206 30 10 HDEE C=C(C)COc1cccc(NC(=O)C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1 476808069 VTNJUDWPSJLGHI-SFHVURJKSA-N 401.463 1.476 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)NC[C@@H]2CCCN(CC#N)C2)cc1 479871502 IVEIDKCLPNMSQZ-KRWDZBQOSA-N 422.551 1.448 30 10 HDEE COc1ccccc1CCN(C)C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 481441083 VOGAKIUKMVCCNE-OAHLLOKOSA-N 401.488 1.935 30 10 HDEE COc1cc(C(=O)NC2(C#N)CCN(Cc3ccccc3)CC2)ccc1OCC(N)=O 482653788 BENMRDZLRYOLGD-UHFFFAOYSA-N 422.485 1.847 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 489637704 JNXXDWKEEBWNBL-UHFFFAOYSA-N 414.487 1.828 30 10 HDEE Cc1nc(SCC(=O)NCC(C)(C)N2CCS(=O)CC2)c(C#N)c(C)c1C 511068788 KIRAENIUQJAIKU-UHFFFAOYSA-N 408.593 1.930 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC1 511924592 APOIJUXPSGXOBJ-UHFFFAOYSA-N 423.521 1.904 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c2ccccc21 534659162 HTOWSLZFSHUAON-QGZVFWFLSA-N 423.473 1.670 30 10 HDEE Cc1ccc([C@H](CNC(=O)c2cc(C#N)cn2C)NC(=O)c2cc(C#N)cn2C)o1 534821265 TZOQZIYMUVWXLT-INIZCTEOSA-N 404.430 1.909 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)nn1-c1ccccc1 546169387 RKWBONIJCSHFSM-UHFFFAOYSA-N 400.442 1.770 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CCCCO2)CC1 549649787 CLCFNPDBTCHRDG-IBGZPJMESA-N 416.570 1.929 30 10 HDEE COC(=O)[C@H](CC(C)C)N(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 553904088 DPDBRYLNHORAGO-SJORKVTESA-N 414.462 1.809 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c(F)c1 561547344 PTCYUXWKATWWCX-GJZGRUSLSA-N 415.446 1.895 30 10 HDEE CC(C)C1CCC2(CC1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 567077307 WODITBYTMNHIOA-UHFFFAOYSA-N 404.492 1.864 30 10 HDEE CC[C@@]1(c2ccc(F)cc2)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 572154992 WUSRZDFFRRUDKK-IBGZPJMESA-N 416.434 1.723 30 10 HDEE CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586859889 LYXFBYQCOAUARW-HXUWFJFHSA-N 405.426 1.132 30 10 HDEE N#Cc1ccc(CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)c(F)c1 588339695 LPHWYBCHBLSBOI-INIZCTEOSA-N 402.451 1.960 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(CC)cc2)c(=O)n1C[C@@H]1CCCO1 603800571 ZBJNGSBSCAUZJT-SFHVURJKSA-N 423.538 1.456 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCC[C@H](C(=O)N2CCOCC2)C1 604484553 WPHGFMIHBHSBBD-KRWDZBQOSA-N 422.489 1.253 30 10 HDEE C[C@@H](NC(=O)c1n[nH]c2ccccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 609112533 FSJFKRYZLDCHSI-CQSZACIVSA-N 403.446 1.297 30 10 HDEE Cc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(=O)n(-c2ccccc2)n1C 609256091 UMBCVZAWRZUVOO-UHFFFAOYSA-N 407.405 1.750 30 10 HDEE Cn1cc(CNC(=O)C(=O)Nc2ccc(OCc3cccc(C#N)c3)c(F)c2)nn1 611951955 AURFVDRXOPEMCE-UHFFFAOYSA-N 408.393 1.660 30 10 HDEE N#Cc1ccsc1NC(=O)CN1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784897 OPBPOWLFPUESLB-UHFFFAOYSA-N 402.501 1.635 30 10 HDEE COc1cccc(CN(C)C(=O)CN2CCN(c3ncccc3C#N)CC2)c1OC 619510147 VDHFEZKATGLXOQ-UHFFFAOYSA-N 409.490 1.751 30 10 HDEE C=CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 619743070 IWAZBAAOAZJDAZ-LAUBAEHRSA-N 419.533 1.992 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 670199071 SUVKPBOEEVYQBX-QGZVFWFLSA-N 416.526 1.165 30 10 HDEE C#CCN(C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3)[C@H]1CCS(=O)(=O)C1 729331193 KQBFMTYMGQQQNV-INIZCTEOSA-N 413.499 1.385 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCS(=O)(=O)C1 731213668 MPEZBXCEXZVUQM-GOSISDBHSA-N 404.532 1.747 30 10 HDEE N#Cc1cccc(CNC(=O)COC(=O)CCC(=O)N2CCOc3ccccc32)c1 731736482 IBYRYPGBGQXPMD-UHFFFAOYSA-N 407.426 1.923 30 10 HDEE COCc1c(Br)cccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706521 PEUINCBCHRXSKQ-ZDUSSCGKSA-N 421.295 1.733 30 10 HDEE N#CCN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CCCC1 738328262 CRQJEQWZMSWGCG-LICLKQGHSA-N 416.547 1.899 30 10 HDEE COC(=O)Cn1cc(S(=O)(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cn1 743045516 NLUGBZPDSYNXHZ-UHFFFAOYSA-N 403.445 1.852 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)COC(=O)[C@H](C)Oc2ccc(C#N)cc2)C1 749517928 AVSNWRACMKADLQ-LPHOPBHVSA-N 403.479 1.342 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 749530208 LPGWDFVDJZDRNY-UHFFFAOYSA-N 401.492 1.535 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)c1ncc(Br)cc1Br 759754117 FFIYPBCQCCAJGE-UHFFFAOYSA-N 421.045 1.775 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNCc2cnc3ccc(C#N)cn23)cc1 759839925 ZQLYDNJIGNHNMX-UHFFFAOYSA-N 412.471 1.584 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(-c3ccccc3C#N)c2=O)cn1 772300014 LSYLIKFDSDATQN-UHFFFAOYSA-N 415.478 1.796 30 10 HDEE C=CC[C@@]1(C(=O)N(C)C[C@@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 790744774 AGIAILZIKMVPJT-UTKZUKDTSA-N 411.543 1.484 30 10 HDEE Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 792660582 GLVZXMZASZDNRR-VIFPVBQESA-N 402.885 1.869 30 10 HDEE CCNC(=O)N(C)c1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 797665155 LCYPXQFXXZXHMC-MSUUIHNZSA-N 400.439 1.500 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 807470426 RQCXBXUOEXMRSG-HXUWFJFHSA-N 421.563 1.703 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)c1C#N 810087920 OXMFDHIOKKRPHO-UHFFFAOYSA-N 400.917 1.529 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(F)cc1 812526727 RFWNOQIWTRQIQC-SFHVURJKSA-N 408.476 1.919 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(-c3ccc(F)cc3)c2=O)cn1 839203686 SOFMSCQSJRLCMD-UHFFFAOYSA-N 410.474 1.890 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)C1 916694492 IYNXOZSPDQGFOP-BPHPCYGNSA-N 408.480 1.526 30 10 HDEE C#CCN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 918755537 BZCKSEGIQVXHIJ-KRWDZBQOSA-N 406.504 1.974 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(CC(=O)OC)cc2)ccc1F 1131745276 LLTITKFUSHRWOK-UHFFFAOYSA-N 420.462 1.936 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O 1137113949 APKREUVOPZNBLT-GJZGRUSLSA-N 403.483 1.257 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCN(C(=O)OC)CC2)s1 1143071984 LWTQNSFVZLWJRZ-UHFFFAOYSA-N 401.510 1.056 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1C[C@@](CO)(c2ccccc2)C1 1156488366 JFOMMEOFSBGECD-NBEIKUQISA-N 413.499 1.324 30 10 HDEE COc1cc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)sc1S(N)(=O)=O 1179406893 ZNMHBPIIJKLLMQ-AWEZNQCLSA-N 407.473 1.489 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCc1nc(CS(C)(=O)=O)n[nH]1 1251262468 IBTZHSFDEGYTBK-UHFFFAOYSA-N 404.496 1.589 30 10 HDEE C=CCn1cc(C(=O)NCc2ccc(N3CCN(c4ncccn4)CC3)c(F)c2)nn1 1264770669 HPUBHWAUEXXMJC-UHFFFAOYSA-N 422.468 1.650 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 1264829035 GRJCWQSYWMWZMR-UHFFFAOYSA-N 410.492 1.207 30 10 HDEE C=CCCOCC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1285030267 XWUGCPJOQNODKK-JBCKWKTNSA-N 418.534 1.515 30 10 HDEE C#CCCCCn1c(N(C)[C@@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1286336385 XITAMDJHBXPXKC-APWZRJJASA-N 410.540 1.357 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1286382076 QGLAUPUVYLGBBI-MRXNPFEDSA-N 407.540 1.399 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCC[C@@H](O)C1)[C@H]1CCS(=O)(=O)C1 1286385918 RDIFPXRPEKTNMR-IXDOHACOSA-N 408.568 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1286415123 DLGHSCAJBHCOKD-UHFFFAOYSA-N 412.400 1.183 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCC=C)CC1 1286477370 YWNLEWMGWFPGKF-UHFFFAOYSA-N 403.490 1.484 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2CCCOC2)CC1 1286484996 UEUKFBCKNMCMLD-FQEVSTJZSA-N 420.517 1.911 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(S(C)(=O)=O)CCC1 1288065836 DVFJFNKSBRUNOM-UHFFFAOYSA-N 422.555 1.514 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1289958002 GNPSKWFIKNRWIV-HXUWFJFHSA-N 402.520 1.857 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1291641800 TZMPIDMREYMDQP-HNNXBMFYSA-N 419.445 1.462 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)c1 1295466293 URJPMPZDPRIVSK-AWEZNQCLSA-N 410.467 1.781 30 10 HDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1)C1CC1 1298037370 HIEVZZSECCHRJH-UXHICEINSA-N 421.505 1.798 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1C[C@]1(O)CCS(=O)(=O)C1 1300450218 RXDYPDFCVKLPSF-HXUWFJFHSA-N 411.487 1.112 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1300621564 NFUIGRQKDBAIFA-RTBURBONSA-N 416.570 1.826 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCC(CO)CC1 1300769373 FMJPPMMHCZNPFG-UHFFFAOYSA-N 419.576 1.845 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1300973158 VOSPKOSOQHROIZ-MRXNPFEDSA-N 402.503 1.442 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(O)nc2ccccc21 1301273915 YDYVADKEURXGRV-CYBMUJFWSA-N 419.511 1.266 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)C[C@@H]1COc2ccccc2O1 1301491743 XEFSGNVUQUQGBE-MRXNPFEDSA-N 422.489 1.862 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1301920786 PJTIFVLVCYXWER-RTBURBONSA-N 421.505 1.590 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302365649 VOBRZOSPBNCJDK-OAHLLOKOSA-N 401.902 1.941 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@H]1NC(=O)CC1(C)C 1302644265 RAWVKMCSHPEKQA-MRXNPFEDSA-N 409.494 1.851 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2NC2CCCCC2)CC1 1302923666 CLBHIRRBIDEGQT-UHFFFAOYSA-N 404.536 1.657 30 10 HDEE Cc1n[nH]cc1CCCn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1304730478 DYNSXKXFKZTJBL-UHFFFAOYSA-N 408.514 1.491 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cccc(Br)c2Cl)CC1 1307650010 LWNSTWUBOGMKIR-UHFFFAOYSA-N 406.733 1.688 30 10 HDEE C=CCOC[C@H](N[C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(=O)OC 1308721598 DJFSSBQJKZJEHZ-YTQUADARSA-N 406.479 1.746 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1 1311857517 ANPBLMDPTGRIRL-CQSZACIVSA-N 409.508 1.642 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@H](C)C#N 1314554160 FEGVSCLZBWEMIK-GFCCVEGCSA-N 411.919 1.529 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1C 1316101177 DPKKHDGRKAAYLE-SFHVURJKSA-N 417.535 1.903 30 10 HDEE C[S@@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(CC#N)CC2)CC1 1316361186 FQGZRAGGAGGIPM-MUUNZHRXSA-N 404.540 1.555 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC[C@H]2CCCO2)c1 1316529625 AYIUHNAHYCPNRX-LJQANCHMSA-N 424.505 1.729 30 10 HDEE N#C[C@@H](C(=O)CN1CCC(c2nnc3n2CCC3)CC1)c1nc(O)c2ccccc2n1 1340786728 QZQSQKZAPYBXNE-INIZCTEOSA-N 417.473 1.929 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1358979653 TXVUEAQGTPQDTO-NQIIRXRSSA-N 421.501 1.584 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCN2CCCCC2=O)CC1 1359033820 RSNMMUPUABIOHF-UHFFFAOYSA-N 409.538 1.441 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@H]1CCOC1 1359089970 SEHVKCDKOUOOBX-KURKYZTESA-N 403.527 1.968 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1359125429 CRFSQQYEUTZDNF-SFHVURJKSA-N 418.542 1.411 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)CC1 1359179303 QXIQNWHYZKNYDO-QGZVFWFLSA-N 404.540 1.788 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1359323690 VFKXKHLNGGHDRN-MSOLQXFVSA-N 410.522 1.960 30 10 HDEE CC(C)C(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1359633101 XZVHGHZEGLRCSY-GOSISDBHSA-N 414.485 1.899 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 1438759332 DWVZKTPSGOAYCM-INIZCTEOSA-N 408.549 1.728 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)ccc1F 1439853751 AKFKNVXRMSHKTK-FZMZJTMJSA-N 410.389 1.987 30 10 HDEE CC(=O)N1CCN(CCNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1441394848 AKDRALJFASJFOP-QGZVFWFLSA-N 409.531 1.244 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)NCCC#C[Si](C)(C)C)cc2S1(=O)=O 1453119591 DTUGBNSGUXDDSD-UHFFFAOYSA-N 408.552 1.478 30 10 HDEE C=C1CN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccccc2C(F)(F)F)C1 1453262679 JIJBOMAUYZITHM-GFCCVEGCSA-N 405.398 1.016 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)OC)c1 1455278960 IRLZKKITXWIUNF-LJQANCHMSA-N 415.467 1.834 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(CN(C)C)cs1 1455879960 NLDOJYNZWAHPNL-LBPRGKRZSA-N 407.521 1.060 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1458692539 YFZJGNJHICWIMO-MOPGFXCFSA-N 417.429 1.379 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)COCCNC(=O)c1ccccc1 1460300251 HIYHANSOOOHNOK-UHFFFAOYSA-N 404.430 1.833 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCNS(=O)(=O)c1ccc(C)cc1 1467809352 HUXWCYUSARUMJF-UHFFFAOYSA-N 409.508 1.260 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 1469145630 IAIZMLCFMHVBCV-HNNXBMFYSA-N 404.854 1.934 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCOC[C@@H]1c1cccc(F)c1)c1cc[nH]n1 1470146495 JCGXYJATGFAUGM-MRXNPFEDSA-N 404.398 1.433 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1OCCc2sccc21 1470390680 JVJMENWBVNAUPB-ZUZCIYMTSA-N 401.448 1.151 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)NCC(=O)NCC(=O)NCc1ccccc1 1471303507 FCXROGOZDRWHMQ-UHFFFAOYSA-N 419.485 1.688 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2[C@H]3CC[C@H]2CN(C(=O)NCC#CCO)C3)CC1 1479161751 REGXIIORAHMKNY-ROUUACIJSA-N 406.527 1.240 30 10 HDEE CC[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1499523775 FPVFJLPZDOAJTE-FXAWDEMLSA-N 415.519 1.745 30 10 HDEE CCCN1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CC1 1500939025 JTRJUOSCPYEHFC-DLBZAZTESA-N 401.515 1.080 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCCO)CCOC1 1502689144 WCNMLLPQWCXWQQ-UXHICEINSA-N 407.515 1.459 30 10 HDEE COCC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1504778167 BXKWEGRYHBEXBX-GOSISDBHSA-N 424.505 1.538 30 10 HDEE C#CCN(c1nnc(-c2cc(OC)cc(OC)c2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1507625127 GNVLJYCDNPTBQK-MRXNPFEDSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1507630281 WATZSQVBWGWJCW-MRXNPFEDSA-N 419.551 1.583 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1507984019 YJWCUMBXTUZOFJ-UHFFFAOYSA-N 405.466 1.589 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CC1(C(=O)N(C)C)CCCC1 1508405564 GHYBPQRCORNMQY-HNNXBMFYSA-N 403.531 1.661 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)COCCO1 1509186924 SOXUPMPVAUQEOL-NRFANRHFSA-N 412.494 1.817 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1509637531 GTIDYSLHORNJGR-SLUIBLPYSA-N 404.490 1.799 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1515098996 IAWVUGBNDYJIEO-UHFFFAOYSA-N 421.505 1.449 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C(C)C)C1 1517659498 CUPLVWFAUHCZJA-QGZVFWFLSA-N 410.478 1.588 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cn(C2COC2)nn1 1518422050 OPMWPHCCGLOCCC-AWEZNQCLSA-N 408.466 1.761 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@@H](OCC)C2CCOCC2)c1 1518824361 DHBHWCDJIBNAHG-QFIPXVFZSA-N 414.502 1.691 30 10 HDEE C#CCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@@H]1CCS(=O)(=O)C1 1520934851 FVWPLMJTNDRXBQ-ZIAGYGMSSA-N 412.305 1.964 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2ccccc2F)CCO1 1521138102 YHGAWVCGHCOZTE-WMLDXEAASA-N 414.441 1.427 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1529014769 NFPIUPIVULHNMW-OALUTQOASA-N 422.547 1.847 30 10 HDEE N#Cc1cccc(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)c1Br 1533606788 BSSHENFBLFSKRY-UHFFFAOYSA-N 401.220 1.788 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CN(C(C)=O)c2ccccc2)c1 1535253477 UYRTWXHLAQELCC-UHFFFAOYSA-N 419.481 1.913 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCN1CCOCC1 1539116361 NDDZUXXUWZFFEE-UHFFFAOYSA-N 421.505 1.776 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1539517417 NGAMZZWKCNWGHI-QGZVFWFLSA-N 415.567 1.599 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539917846 GUPUIKIVJCTJFC-GJZGRUSLSA-N 409.556 1.845 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1540155108 LOEVQRYXGMHJRQ-HOTGVXAUSA-N 419.555 1.526 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1540870903 ZSPBWKJOETWCNV-UHFFFAOYSA-N 424.571 1.004 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2cc(C)c(C#N)c(C)c2)c1 1540991477 JAPJRSAAPYEDPS-UHFFFAOYSA-N 401.444 1.879 30 10 HDEE CCCCn1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(C)n1 1547036352 GHDOWFDIRHAQEF-DLBZAZTESA-N 412.498 1.311 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)N(C)C)cc1OC 1554849565 BSPDHXJRZTURDG-LJQANCHMSA-N 402.430 1.492 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1555940317 FCYKKGCSILQSQM-MCYUWXCXSA-N 422.489 1.679 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C(=O)OC 1556375859 UOVGYSCEDFLHQZ-SQNIBIBYSA-N 420.462 1.273 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(N3CCOC[C@H]3C)CC2)c1 1556834933 XAVCYBAUQLTJHS-QGZVFWFLSA-N 404.532 1.809 30 10 HDEE CC(C)(CC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1556957819 PWMYSXQXMADVIS-ILXRZTDVSA-N 413.540 1.713 30 10 HDEE N#Cc1ccccc1NC1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)CC1 1557718864 VTXIKKHFGKJYBF-UHFFFAOYSA-N 413.503 1.725 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1558697714 DNJYXFFWXSQAJG-QWHCGFSZSA-N 411.890 1.913 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCn2cnc(C#N)n2)Cc2ccccc21 1564723627 CVRGRBSRCRKJSB-HNNXBMFYSA-N 411.466 1.815 30 10 HDEE COc1ccc([C@]2(C)NC(=O)N(NC(=O)c3cc(C#N)cc(N(C)C)c3)C2=O)cc1 1568691202 ZGMSQFWDGGDHMC-NRFANRHFSA-N 407.430 1.745 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)COc1ccc(S(N)(=O)=O)cc1 1569933485 CBADJXFLOWFDMR-UHFFFAOYSA-N 403.460 1.260 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCOC)CC2(C)C)s1 1583444310 AXMSGXFMYKOWFU-UHFFFAOYSA-N 415.581 1.324 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCO[C@](C)(C#N)C2)C1 1585431266 AUKKALLJHZECIW-WMQCIHAUSA-N 401.463 1.944 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N[C@@H]3CS(=O)(=O)Cc4ccccc43)CC2=O)cc1 1586822944 CTOXFJALKWQFRO-QFBILLFUSA-N 409.467 1.697 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NOc1cccc(C#N)c1 1587209046 YSTWXUIBQJCONI-KJEVXHAQSA-N 407.348 1.954 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CC1(COC)CCOCC1 1588159164 QRMDUBDVAYZGEA-UHFFFAOYSA-N 410.522 1.656 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1588166845 RADVEWDKKLCHNV-SFHVURJKSA-N 408.506 1.556 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1588213947 BPFZSVDAPCNMLB-QGZVFWFLSA-N 420.439 1.999 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@]2(C)CN(C3CC3)C2=O)n1 1588723776 PNIAMQQIZKDULW-OAQYLSRUSA-N 411.510 1.080 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)(F)F)CC1 1588837569 YLFFBZPTIGQNAV-UHFFFAOYSA-N 400.449 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCC[C@H](O)C2)CC1 1588913916 UBENCCBHONXRBK-AEFFLSMTSA-N 410.522 1.790 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(=O)OC)C1 1589088670 FANRYBPCWAYBOE-AWEZNQCLSA-N 405.549 2.000 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCc2n[nH]c(C)n2)C1 1595674702 SBLJKCZHEDCCBS-OAHLLOKOSA-N 423.481 1.376 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1595688701 MUXDPKJWKWAGFU-GJZGRUSLSA-N 414.466 1.616 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1595837698 BPESCCONEXHQSW-BEFAXECRSA-N 409.556 1.720 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCCCN1CCOCC1 1608381947 QQQGIBMMILZOQO-UHFFFAOYSA-N 417.558 1.659 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1609532159 JTSXDNHPQJNKHL-DLBZAZTESA-N 424.461 1.846 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1618546236 SEMHEOFXNPZGQD-GOSISDBHSA-N 420.554 1.354 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1618942613 QLSCTADPZCBONH-AEFFLSMTSA-N 411.510 1.800 30 10 HDEE C#CCNC(=O)CN1CCC(c2n[nH]c(CNC(=O)OCc3ccccc3)n2)CC1 1620451309 XUDRZVNAIIYPMN-UHFFFAOYSA-N 410.478 1.160 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1621081531 OYKQFTFOBMCYCS-YVMONPNESA-N 412.483 1.307 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@H](CO)C2CCOCC2)cc1Br 1622084625 FLTCALGPJSRKJD-CYBMUJFWSA-N 407.261 1.526 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)CC2)c1C#N 1622197249 FJZXHEZANITTTN-CQSZACIVSA-N 420.516 1.615 30 10 HDEE CC(C)(C)c1n[nH]c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1626176678 XUJYJCOYKOWKCE-UHFFFAOYSA-N 404.496 1.237 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1627412150 CCAPOZVDCYYZPK-INIZCTEOSA-N 404.488 1.928 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1627747399 WESBKZQVYPTWKG-WMZOPIPTSA-N 406.504 1.588 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C(=O)OC 1629612403 HUCKZMYYVUBDIK-OAHLLOKOSA-N 412.895 1.809 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1631483026 OWXIPPHWQIKRQH-ZRGWGRIASA-N 414.524 1.072 30 10 HDEE Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1C#N 1633101377 AVIGEZNZOHILFK-RISCZKNCSA-N 409.855 1.006 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1633459355 RMZGKJCAIGLVOP-CLIJALBYSA-N 406.527 1.298 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccc4ccccc4c3)[nH]n2)CC1 1636480031 JODFTZOKGKOSQU-UHFFFAOYSA-N 423.498 1.455 30 10 HDEE C=CC[C@H](CO)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1639752439 MIELTWFXTAAUDT-QVKFZJNVSA-N 410.470 1.939 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(F)(F)[C@H](CO)C3)C2=O)cc1 1641411278 KVDHHJANZRQOHB-DZGCQCFKSA-N 406.389 1.239 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](n2ccnn2)CC1 1641501360 GWDIHEDLJXQRRT-HOCLYGCPSA-N 402.480 1.070 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2cc(Cl)nnc2C1 1643628176 WEPJUPUZHNHRKB-NSHDSACASA-N 405.867 1.253 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(C)(=O)=O)nc2)c1 1644617108 UUDOCLGHDMJSCI-UHFFFAOYSA-N 406.485 1.212 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028912 RIEUOODFTZDRLW-UHFFFAOYSA-N 418.413 1.268 30 10 HDEE Cc1ccc(F)c(Br)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648790485 KNHYVQAUFZFSDP-UHFFFAOYSA-N 407.199 1.728 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F 1653186143 JTPIJPMUPBUKPV-VHRBIJSZSA-N 405.398 1.309 30 10 HDEE CCNC(=O)C(C)(C)NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1654656200 CCWPFBURMDNZKD-OAHLLOKOSA-N 415.538 1.860 30 10 HDEE CN1CCCC[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1=O 1655262525 RWELLTSIELIPJQ-IRXDYDNUSA-N 403.552 1.400 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Cc2ccc(Cl)cc2)c1=O 1656778682 JWGYDADYOXETAQ-UHFFFAOYSA-N 417.849 1.689 30 10 HDEE C#C[C@@H](NS(=O)(=O)N1CCC[C@H]1C(=O)OCC)c1ccc(Br)cc1 1662181616 PWRCWUWRLHHMJJ-CABCVRRESA-N 415.309 1.985 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2cccc3ccccc23)CC1 1676711920 HHVMGNJHYQVJKC-MRXNPFEDSA-N 400.504 1.696 30 10 HDEE C#CCN(C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C)C1CCN(C)CC1 1677738952 IKBXPMOVTXGTGJ-UHFFFAOYSA-N 420.579 1.753 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1 1681590428 BMTRZTFRCNSZOI-KRWDZBQOSA-N 403.502 1.435 30 10 HDEE C#C[C@H](NC(=O)N(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1)[C@H]1CCCO1 1681594123 YMGQCAUEFGNZCP-ZYSHUDEJSA-N 405.520 1.795 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C2 1683590234 NWEOGEWGBOXWCL-BHIYHBOVSA-N 402.520 1.718 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)NCCO[C@H]4CCOC4)CC3)n[nH]2)cc1 1684326373 JVJKNFBLXWJJJK-SFHVURJKSA-N 410.478 1.585 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1689851275 OFXFZCXCTBEHQQ-AEFFLSMTSA-N 407.584 1.760 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2ccnc21 1689851924 XQAAMDLLQKXPIW-XHSDSOJGSA-N 402.524 1.412 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1689897708 FYGGEBCKIPOCQT-UHFFFAOYSA-N 416.551 1.585 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1689922534 QHKFAYXGHSIABG-MRXNPFEDSA-N 416.503 1.753 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(C(C)=O)CC1)[C@@H]1CCS(=O)(=O)C1 1689988913 YOOOOOZDYPFMCH-GOSISDBHSA-N 419.551 1.041 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)COC2)CC1 1690126189 VAFBGUICLSYVEL-UHFFFAOYSA-N 401.461 1.939 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCc2ccncc2)CC1 1690142587 RBILWOKVTGZXJE-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@@H]1OC)C1CC1 1690545155 KTFXKHJYTWJBMT-INMHGKMJSA-N 410.540 1.387 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C)n1CC1(O)CCS(=O)(=O)CC1 1690602103 HXNOASYDDIPDMU-UHFFFAOYSA-N 404.536 1.761 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc(OC)nc1OC 1705626969 PIEHQDAPICUJEM-UHFFFAOYSA-N 409.450 1.282 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1705812091 QXQNOIYXPMQIHS-KBPBESRZSA-N 408.532 1.325 30 10 HDEE C=CCCOCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1705830630 UHVQMXONNNALSG-MRXNPFEDSA-N 413.544 1.192 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H](OC)[C@H](C)CC)CCOC1 1710482318 DGIXLAKDZRLWBH-PDOICOKGSA-N 407.515 1.720 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCCS(C)(=O)=O)c1 1711692608 FBHLJGXLPZAXTD-AWEZNQCLSA-N 421.523 1.993 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722362280 SIRMSIFCYDZWGI-IAGOWNOFSA-N 417.535 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCN1c2ccccc2C[C@H]1C 1722370479 LQNRIAXKHZIOHQ-GOSISDBHSA-N 404.518 1.940 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2CCS(C)(=O)=O)n1 1722428015 PORNILOXDVUEQO-UHFFFAOYSA-N 422.555 1.103 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(OCC=C)cc2)CC1 1722436688 KUZXTFKXXYTQBI-HXUWFJFHSA-N 420.517 1.598 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722457437 DUKBHXBYCNTTAL-HNAYVOBHSA-N 400.508 1.486 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1722482133 FMZDWVAIMSYDEH-MELADBBJSA-N 401.305 1.931 30 10 HDEE C=CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1722603989 RJPXDEJXGRCYJC-HZPDHXFCSA-N 402.499 1.023 30 10 HDEE CC(=O)NCCCn1c(C)nnc1N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1722850529 GPOWVEBWMPQGPW-UHFFFAOYSA-N 424.465 1.559 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1729351523 KREFPOUOSICNFK-GOSISDBHSA-N 413.503 1.787 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1730683714 DMKKQXAIGSZVGC-ZPHPHTNESA-N 414.466 1.846 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1740559720 UFPYQDQQMVISCL-AWEZNQCLSA-N 411.441 1.607 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1740570056 AAARZBZUWDGWMM-UHFFFAOYSA-N 423.521 1.614 30 10 HDEE C#CCCCn1c(-c2cccc3cccnc23)nnc1N1CCN(S(C)(=O)=O)CC1 1740588051 GWKCPWXEWKZCSE-UHFFFAOYSA-N 424.530 1.988 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1F 1740640009 HVTHFZJGNJTPIM-HNNXBMFYSA-N 404.442 1.580 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCSCCCO)CC1 1740706439 XZGACGLUAYJBEG-UHFFFAOYSA-N 421.611 1.948 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CCN1CCOC[C@H]1C 1740734356 ZONAUKACAWILME-DENIHFKCSA-N 411.554 1.853 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2c[nH]nc2C)C1 1740971361 WURDTBQILBUNNX-KRWDZBQOSA-N 401.515 1.862 30 10 HDEE C#CCN(c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748807745 CEZVVBAMKAPICI-QAPCUYQASA-N 413.503 1.478 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1748922874 OYOIGJOXJJZILR-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@H]2CCCCO2)CC1 1748977399 HRGGZSJXRPGKNH-RTBURBONSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCOC2)CC1 1748979025 TUYRRIGSWCBUBS-NQIIRXRSSA-N 403.527 1.110 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1749597773 MLACUDFCQWNMJW-JXFKEZNVSA-N 400.483 1.712 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](NC(=O)OCC)C1 1749625956 DXTREPBZHFNBQX-ZDUSSCGKSA-N 402.455 1.907 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1749653043 VDNBMSORKGRKLF-KGLIPLIRSA-N 416.457 1.171 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CCO1 1750013388 FXCWDEQJRVJEBW-IBGZPJMESA-N 421.461 1.503 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C1CC1 1751236317 BXCGHWGLFLWHFB-LXZKKBNFSA-N 400.508 1.967 30 10 HDEE Cc1ccc(-c2nnc(N(C)CCNS(C)(=O)=O)n2Cc2ccc(C#N)o2)o1 1751477477 REVSVKRTNSBWIJ-UHFFFAOYSA-N 404.452 1.345 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@]2(O)CCN(C)C2)cs1 1751775814 GEKPBMKLEYNFOS-UXHICEINSA-N 415.567 1.831 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1760112553 JAGIYKHXBWAZOL-BBTUJRGHSA-N 419.595 1.838 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760143428 GOAFZGUBJYRKGC-UHFFFAOYSA-N 412.538 1.909 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc(-c2ccco2)n1 1760163108 LYSMPBCXWJEQME-GFCCVEGCSA-N 420.520 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1760205960 OAXVTRRUFWSFGG-GOSISDBHSA-N 405.458 1.860 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 1760279449 DKZOLPVNDOQIFR-UHFFFAOYSA-N 413.551 1.403 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(CC)c1 1760279924 BMMJKLLEXCOVFJ-INIZCTEOSA-N 422.580 1.399 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1760359970 ZTMXWFYNRKEEFT-UHFFFAOYSA-N 414.510 1.152 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)OC)CC1 1760445345 HBDPEUIJAKSYPK-UHFFFAOYSA-N 405.499 1.496 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C[C@@H]1COc2ccccc2O1 1760522938 HGNFZKWEEPXICT-MRXNPFEDSA-N 423.477 1.257 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760527776 INAOYMQGDFGOLD-ALLBUHFWSA-N 409.506 1.805 30 10 HDEE Cc1coc(C)c1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1762203278 HMPXOLMHACPGEW-KRWDZBQOSA-N 411.510 1.851 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc(C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1765156806 BHBMESPRKXGJDW-KIJUOZEOSA-N 402.499 1.933 30 10 HDEE CCN1CCCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1765453255 HJEQAPDBOAKMJJ-LJQANCHMSA-N 407.522 1.970 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1767439604 NGIZAVZYFOOCAE-RBUKOAKNSA-N 400.414 1.885 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1768932696 WEFOYDXFNVNDGD-HTXNQAPBSA-N 421.465 1.133 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1769224094 DPAYGHMZUDUEMJ-OYHNWAKOSA-N 424.505 1.319 30 10 HDEE COCC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1Nc1cnn(C)c1 1769566354 CWTZXPNLKBDKJC-HXUWFJFHSA-N 411.466 1.993 30 10 HDEE COC(OC)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1769690066 PDZVHMFPLIEJEI-ROUUACIJSA-N 413.478 1.850 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCCCC1 1769845602 PFBLPKIKOMUALE-GOSISDBHSA-N 418.542 1.941 30 10 HDEE CCn1cc(C(=O)N2C[C@H](C#N)CC2=O)c(=O)c2cc(F)c(N3CCOCC3)cc21 1850451559 GMCPLEHHNABGHJ-ZDUSSCGKSA-N 412.421 1.509 30 10 HDEE N#Cc1ccc(CC(=O)OCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1 1852053944 UHXFJHHMDVJTJT-UHFFFAOYSA-N 413.499 1.650 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(c3ccc4nnc(C5CC5)n4n3)CC2)n1 1852363329 FFAULBGWHCKIJV-UHFFFAOYSA-N 402.462 1.848 30 10 HDEE Cc1nn(-c2ccccc2)c(NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1852569938 UZJBUYXRCQDQLA-MRXNPFEDSA-N 406.490 1.934 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F 1852839855 CHDXJGIOKSFFSS-CYBMUJFWSA-N 414.528 1.705 30 10 HDEE CC(C)(C)OC(=O)N1CCCCN1CC(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1853058473 PYWOOUIOGNBEBE-MRXNPFEDSA-N 417.466 1.865 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(OC)cc(OC)c2)C1=O 1854168149 LBMOOPZVYHMBKR-ROUUACIJSA-N 401.463 1.164 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)nn1C 1854321349 YHHSCCDKQFDXQV-IBGZPJMESA-N 406.490 1.159 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2nccc(Cl)c2F)C(=O)C12CCCC2 1854403936 JOVHPKAEAWHJRD-UHFFFAOYSA-N 414.846 1.325 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)c2cccnc2)C1=O 1854870030 NDRZKRLAGNSVTC-SFHVURJKSA-N 405.462 1.085 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2=O)cc1 1855948203 GJJHASQEVCCDDO-HXUWFJFHSA-N 408.502 1.563 30 10 HDEE CN1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)[C@@H](C2CCOCC2)C1 1856327997 NEZCMJWYLDATTA-GHTZIAJQSA-N 410.518 1.590 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CCC(F)(F)C3)C2)C1 1856388088 AGJXQUOBPBUYBK-ZIAGYGMSSA-N 404.417 1.827 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCC[C@H](N4CCC(CC#N)CC4)C3=O)n2)cc1 1856538748 OWDFICQDNUOXHB-SFHVURJKSA-N 407.478 1.728 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856694787 LRLVFCMDZXJBKS-OXJNMPFZSA-N 420.872 1.649 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC(n3cnc4ncccc4c3=O)CC2)C1=O 1856907773 FFJIXAKQQIGTLA-QGZVFWFLSA-N 408.462 1.250 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857056615 OHRVLZVRULJLNO-QUCCMNQESA-N 413.518 1.722 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(OC)cc2)cc1 1858961659 KDIFXYGQOXYJHJ-UHFFFAOYSA-N 416.455 1.602 30 10 HDEE O=C([C@H](Cc1c[nH]c2ccccc12)N=C1NS(=O)(=O)c2ccccc21)N1CC(O)C1 1869928408 WPEUBOWPWFYLAO-SFHVURJKSA-N 424.482 1.021 30 10 HDEE C#CCOc1cn(CCCCN2CCCC2)c(CSc2nnnn2C)cc1=O 1870302276 KNUVVIKNMFEPGC-UHFFFAOYSA-N 402.524 1.552 30 10 HDEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN(CCOC)CCOC 1870423979 WEOMNYCEQQXDQQ-UHFFFAOYSA-N 410.511 1.707 30 10 HDEE C=CCN=c1nc(N2CCOCC2)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871596631 JHJZFOWDXTVJTK-UHFFFAOYSA-N 400.483 1.691 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C#N)(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 1884184019 GMGGSDBBSYPDAB-SZNDQCEHSA-N 415.446 1.563 30 10 HDEE CN(C)CC#CCNC(=O)C[C@@H]1CSc2nc3c(cnn3-c3ccccc3)c(=O)n21 1889599323 QLRYHGALWSUKQI-MRXNPFEDSA-N 422.514 1.300 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2010402835 WPKJQZQMPYJHIA-CQSZACIVSA-N 416.287 1.631 30 10 HDEE N#Cc1cc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 2074668081 ZNJSQGALBKPTRB-INIZCTEOSA-N 403.416 1.248 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2118166182 HWPXMGDTYPPVLY-GHMZBOCLSA-N 400.423 1.512 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](NS(=O)(=O)N2CC[C@@H](C#N)C2)(C(F)(F)F)C1 2174781512 GSJZEXJPJYUEEH-SMDDNHRTSA-N 412.434 1.608 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)N2CCC(C#N)CC2)CN(C(=O)OC(C)(C)C)C1 2174784470 OBDQSMJLRHKHPN-GOEBONIOSA-N 400.545 1.949 30 10 HDEE CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)[C@H](CC#N)C(F)(F)F 2181107062 CJOPFSNQJHVTCK-YGRLFVJLSA-N 413.418 1.371 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CCNS(=O)(=O)N1CC[C@H](C#N)C1 2234595475 XRQRHPDEXWHLAN-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243394609 KDURDWMRCNEGSR-MNVSYLFESA-N 410.320 1.957 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2243421878 SOHNSPTUZHJRIU-UHFFFAOYSA-N 408.308 1.316 30 10 HDEE C[C@@H](CNC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247825127 ZJOVDIQLHSWPOL-HNNXBMFYSA-N 413.331 1.365 30 10 HDEE Cc1nc(NC(=O)[C@@H](C)ONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248398443 UFGMVXIXWOVTBR-GFCCVEGCSA-N 422.291 1.868 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@H](CN)C3)cc2Cl)OC1(C)C 2267353512 LMTZMAWZBJUUCD-MGCOHNPYSA-N 406.766 1.716 30 10 HDEE Cc1nnc(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)s1 2267708069 CWPHJZYVXOYCGR-UHFFFAOYSA-N 402.332 1.544 30 10 HDEE CCCN([C@H]1CCNC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494023 WOFJLQWRJANOIO-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE Cc1nsc(CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)n1 2282497172 MNRROCNBTXJJGW-UHFFFAOYSA-N 416.359 1.222 30 10 HDEE COC(=O)CCCN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501001 QVYMBVRKEXOUKD-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC(C)[C@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282505285 BAGAGKGFJBHOSS-AWEZNQCLSA-N 403.737 1.934 30 10 HDEE CC1(C)OC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)O1 2282505770 IWLGRGZEOGFWTA-LLVKDONJSA-N 403.331 1.477 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1ncon1 2282509106 GKDVVIKDYWTWBB-VIFPVBQESA-N 400.291 1.006 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@](N)(C(=O)O)C3)sc2Cl)OC1(C)C 2282620647 HYIAZPJTZARTJH-MRXNPFEDSA-N 400.693 1.329 30 10 HDEE CC[C@@H]1NCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834896 NYAXCIALCCFGCB-RYUDHWBXSA-N 401.363 1.002 30 10 HDEE COC(=O)C(C)(C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848122 JIIKJRRLBYQYNQ-UHFFFAOYSA-N 403.331 1.525 30 10 HDEE C[C@H]1CCC[C@H](CN)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854744 VMOMDMKANNTSFQ-GXTWGEPZSA-N 400.375 1.938 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CN1C 2282856553 USFILMOKKYLVFK-STQMWFEESA-N 400.375 1.666 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282869858 JIOWUMVQYQSCOJ-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](C)CC(=O)O 2284403688 RYZNNJGKYAESAA-SNVBAGLBSA-N 403.331 1.745 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@@H]1C(=O)O 2284405087 GKKHPJINTCLWOG-DCAQKATOSA-N 401.315 1.435 30 10 HDEE C=C(CS(=O)(=O)NCc1nc(CC(=O)O)cs1)B1OC(C)(C)C(C)(C)O1 2284408583 AOAUYFMDDGFDFT-UHFFFAOYSA-N 402.303 1.377 30 10 HDEE COC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(F)(F)F 2361731607 JQDDBFDBYCKPLS-JTQLQIEISA-N 415.264 1.903 30 10 HDEE COCC[C@]1([C@@H](O)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367797721 NZESLJGTUJGUCL-KXBFYZLASA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367805618 CXCKSNYYDLXGJF-QAPCUYQASA-N 402.557 1.553 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)N2CC[C@H]1C2 2368655670 ILKCNUQHYSMAOT-STQMWFEESA-N 412.537 1.592 30 10 HDEE N#Cc1ncccc1S(=O)(=O)NCCC12CC(I)(C1)C2 2381429980 DKHOMKNHUMSXEG-UHFFFAOYSA-N 403.245 1.979 30 10 HDEE Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 20527754 OPOBWCRGLQONEP-CAOOACKPSA-N 402.396 1.670 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3cc(OC)ccc3OC)C2)c1=O 101455853 PDKRKDJPRCTBRJ-OAHLLOKOSA-N 414.418 1.143 30 10 HDEE CC(C)(C)OC(=O)N/C(N)=N/CCC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 204966355 VUGXDANDMZWPBG-CQSZACIVSA-N 408.455 1.986 30 10 HDEE CS(=O)(=O)Nc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 410293421 VPUYALHBITUPGI-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)CC1 436405439 AHUOFBYYYJSZAS-UHFFFAOYSA-N 424.526 1.847 30 10 HDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)nc1 446728973 NGIHRLHJRHZWJX-UHFFFAOYSA-N 415.475 1.178 30 10 HDEE C=C(C)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 460949005 KRFRNEFJEMZVSX-KBPBESRZSA-N 402.524 1.936 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1 464478885 WYJYUQHOVXRVOU-UHFFFAOYSA-N 408.462 1.969 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1 469297049 YYFQAJZLCCYWNY-HKUYNNGSSA-N 405.520 1.988 30 10 HDEE CS(=O)(=O)CC[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)c1ccccc1 471297430 JUJZVYPWGFORPP-IBGZPJMESA-N 412.515 1.820 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)OCC)c1 478771595 YHUCZTPDZCVTPQ-CVEARBPZSA-N 410.492 1.334 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)c1nnc2n1CCCCC2 480121105 QRGBGNHNYNKLGO-KBPBESRZSA-N 416.507 1.420 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 480255578 BEFCUNCGORMFMM-CYBMUJFWSA-N 420.470 1.819 30 10 HDEE CCc1nc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n[nH]1 482004034 BCCKTELADQGVFH-ZDUSSCGKSA-N 416.507 1.312 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)c2cnc(C)c(C#N)c2)CC1 489116445 LYBFLTLTVSGSRI-UHFFFAOYSA-N 421.567 1.511 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)[C@@H]1c1cccnc1 489199769 DOGXHILRGORVKS-ZJOUEHCJSA-N 417.469 1.390 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@H]3CCCN(c4ncccn4)C3)C2=O)cc1 503987315 NQKPXCGWIWWLKO-PKOBYXMFSA-N 419.489 1.812 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCO[C@]3(CCCOC3)C2)c1 509623806 FUFKLMFTALXYPE-OAHLLOKOSA-N 401.282 1.891 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CC(=O)N(CCN2CCOCC2)C1 524567823 CBYXDKRGJQLTEV-RXVVDRJESA-N 414.506 1.011 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)o1 557839405 JZUPUAOLEZLZQS-HOTGVXAUSA-N 400.460 1.028 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 579041880 BLEWASIQLPNXTC-OAHLLOKOSA-N 406.468 1.557 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N3CCCCCC3)cc21 586357546 OITHQWNEVMKJHK-LJAQVGFWSA-N 418.515 1.932 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2C)c(=O)n1-c1ccc(F)cc1 609416734 VZIIOCDBMSSRBI-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE CS(=O)(=O)c1ccccc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 612077825 SCZKDFWFEGVWFW-UHFFFAOYSA-N 405.501 1.473 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NCc1ccc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1 619528571 DZGBRSSKUPGMOR-HXUWFJFHSA-N 417.462 1.769 30 10 HDEE C#CCN(CC(=O)NCCOc1cccc(C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 731213724 PMPWPPHFPGHHJX-OAHLLOKOSA-N 418.437 1.323 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCC[C@H](C(=O)N3CCCC3)C2)C1=O 732190004 HLYCEUZFFJOKSU-IBGZPJMESA-N 409.490 1.614 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1OC 746224843 KTDHEMXRDCBJRQ-OAHLLOKOSA-N 406.464 1.713 30 10 HDEE COc1ccc(COC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)cc1C#N 747011920 IXIJLDJAJGUVCI-UHFFFAOYSA-N 419.459 1.283 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCN(c2ncccc2Cl)C1 758314131 IAOBNOUYSCWLCL-LBPRGKRZSA-N 419.894 1.169 30 10 HDEE C#CCN(C(=O)NCc1ccc(COC2CCOCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774253690 HSLXFEMTSXCXKY-LJQANCHMSA-N 420.531 1.714 30 10 HDEE Cc1sc2ncc(C(=O)NS(=O)(=O)Cc3ccccc3C#N)c(=O)n2c1C 776067573 SLTZTRYIMFJEMG-UHFFFAOYSA-N 402.457 1.504 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2c(C)cc(Br)cc2Cl)CC1 778256904 BZBMKNQXOCUKKC-UHFFFAOYSA-N 412.715 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 782667761 JKEXTSWPNDLUGE-UHFFFAOYSA-N 415.494 1.628 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)[nH]c(C(=O)OCC)c2C)n1 788694321 OBVZCIPXMDNUIW-UHFFFAOYSA-N 422.507 1.475 30 10 HDEE C#CCN(C(=O)NC[C@@]1(C)CCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 798483563 GSLPYXJEGMJRPZ-TZIWHRDSSA-N 403.548 1.731 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)c1 799837065 OEKBVGONYOXGCF-BTSJHOHCSA-N 405.520 1.966 30 10 HDEE CCN1CC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 801669014 UGYZJKWJUFQFSE-MOLDEKSUSA-N 407.496 1.242 30 10 HDEE CC[C@@](C)(C#N)C(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 803786079 BJWYNMPNQBKEAB-PCLFDXGNSA-N 419.503 1.614 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)[C@H](C)C1 809893830 UAHUSORYBGWCRJ-HUUCEWRRSA-N 420.514 1.439 30 10 HDEE COC(=O)c1cn([C@@H]2COC[C@H]2OC(=O)CSCc2ccc(C#N)cc2)nn1 811184435 QFDPAZZWMFHFCA-HZPDHXFCSA-N 402.432 1.353 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)c1ccc(F)cc1 812747896 FWFLZQWQDZFDQY-CVEARBPZSA-N 412.483 1.944 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2C[C@H](OCC)[C@@H]2n2cccn2)ccc1F 819391230 IFJNXKNEMLOIHI-SOLBZPMBSA-N 422.482 1.635 30 10 HDEE C=CCOC[C@H](O)Cn1c(NN=C(C)c2ccccc2)nc2c1c(O)nc(=O)n2C 1081080172 FYZHYHRHDROHRH-OAHLLOKOSA-N 412.450 1.235 30 10 HDEE C#CCN(C(=O)Cc1noc2ccc(Br)cc12)[C@@H]1CCS(=O)(=O)C1 1125953347 DDJNQRKLGDVMMK-GFCCVEGCSA-N 411.277 1.782 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@@H](CS(C)(=O)=O)C1 1129189164 OSDNJTZREWLZMY-CABCVRRESA-N 401.529 1.857 30 10 HDEE COC[C@@H]1CC[C@H]([C@@H]2COCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)O1 1133996703 LPUZLUAFRYTFCL-BTHPGYMESA-N 413.474 1.333 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c(OC)c1 1140750577 RJJHGQYXEAAITH-HZPDHXFCSA-N 406.479 1.899 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CC1 1155858223 SCULAQDJJCYUSP-UHFFFAOYSA-N 408.520 1.375 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)Nc2cccc(Cl)c2)n1 1156618770 SXMQRCFUDGADGH-UHFFFAOYSA-N 403.870 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2nncc2C(=O)NCC2(C#N)CCOCC2)CC1 1159207517 SDGFQVOBMSZCKB-UHFFFAOYSA-N 418.498 1.900 30 10 HDEE COCCN(CCC(=O)OC)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1167364005 RLGJYVVJEUWFJE-UHFFFAOYSA-N 400.397 1.685 30 10 HDEE C#CCN(CC(=O)NCC(=O)NC(C)(C)C)C1CCN(C(=O)OC(C)(C)C)CC1 1176129714 IXJCWFLIDWFBHM-UHFFFAOYSA-N 408.543 1.352 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)ccc2c1=O 1184416400 NMMAVTGXNQHEMN-QZTJIDSGSA-N 414.531 1.542 30 10 HDEE CCn1cc(C#N)c(=O)n(Cc2cc(OC)c(C(=O)OC)cc2Br)c1=O 1188563646 ADIRWBMCGYQJNL-UHFFFAOYSA-N 422.235 1.508 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1194087722 INQVKLMBAVYFBN-NSHDSACASA-N 416.443 1.133 30 10 HDEE C#CCCS(=O)(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1195051834 IUKTUKFWFFQAIQ-AWEZNQCLSA-N 400.497 1.262 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1221992638 BYKSZHNDDWRQFV-UHFFFAOYSA-N 400.523 1.294 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)CC1 1223765219 HZPLOMWXUVSACX-UHFFFAOYSA-N 424.519 1.387 30 10 HDEE C=C(C)COCCNC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1230243898 RXIOPZGHTYQAKM-MRXNPFEDSA-N 412.531 1.642 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCOCC1 1286304377 HZKMFTDQDISPOG-VJANTYMQSA-N 405.543 1.428 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(CCOC)c1 1286369649 URSVZMAKVUWIQQ-UHFFFAOYSA-N 418.461 1.555 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1286388587 RWOPPBJPCBMFRN-MRXNPFEDSA-N 404.492 1.227 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)nc1OC 1286522458 MHBFIDVRPZEAOO-YCRPNKLZSA-N 410.478 1.682 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1286525024 HUQFPYLGQFABMT-LAUBAEHRSA-N 401.511 1.413 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)C(=O)C1 1286552945 BPGVELJLJYPWDX-LNLFQRSKSA-N 419.526 1.058 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1)C1CC1 1286734598 TVNSLFWZDWEGKN-FQEVSTJZSA-N 424.567 1.910 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1286749685 XQMQNMRDOJWULS-HNAYVOBHSA-N 403.508 1.635 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)CCn3cc(C#N)c(O)nc3=O)cc2F)C[C@@H](C)O1 1291584335 BTIAACZCUJHMAD-BETUJISGSA-N 415.425 1.602 30 10 HDEE CCCN1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)C1 1294637065 BGEIJHFQWPCUHT-DOTOQJQBSA-N 423.587 1.360 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)C1 1296518307 AWWCNPPLYLXQFX-CXMBCZLWSA-N 417.307 1.869 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC(F)(F)CO1 1300511643 KICGTWVJRXYKSR-APWZRJJASA-N 408.449 1.816 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCC 1300520474 KSBZZQVDHGOTQD-NRFANRHFSA-N 404.478 1.545 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@H]1COCCO1 1300655399 WIXXFVCXUCPRBB-KRWDZBQOSA-N 416.478 1.464 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@H]2CC(F)(F)CO2)CC1 1300723566 WDCZHYLRHBSVIG-MRXNPFEDSA-N 407.465 1.936 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](OC)C2CC2)CC1 1300726271 JPZOVLOBFZRGJR-HXUWFJFHSA-N 422.533 1.655 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCCN1C1CC1 1301422413 KMWKTWYTRZUAKP-MSOLQXFVSA-N 402.543 1.885 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCSCC2)C1 1301553903 VNTHLYQJQGAYBX-KRWDZBQOSA-N 403.556 1.509 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ncnn1-c1ccccc1 1301965156 HTXHCJMROMDSMO-HNNXBMFYSA-N 400.450 1.960 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCC(=O)NCc2ccccc2)CCO1 1303004706 SDOFUVISPONMCU-OALUTQOASA-N 424.505 1.607 30 10 HDEE C[C@H]1CC[C@H](C)N1CCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307451028 OGZIIJKPLIVBPR-PMACEKPBSA-N 408.546 1.776 30 10 HDEE Cc1ccc(N(C(=O)CN2CCO[C@](C)(C#N)C2)[C@H]2C=CS(=O)(=O)C2)cc1C 1308113673 GIPGOMAXABPPTG-AZUAARDMSA-N 403.504 1.562 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2cc(Cl)ccc2OC1 1309080163 VQQQOYFTNWTLMX-CQSZACIVSA-N 401.893 1.525 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)CC1 1309387236 GFNFZUIFZDYFNX-KRWDZBQOSA-N 423.560 1.867 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1314467443 SPQBTPZALMAVSJ-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE Cn1cnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)n1 1314921000 UHKZYSXSFQEFFM-GOSISDBHSA-N 402.384 1.766 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1314935161 XFKJNKKCLLIGIN-QFIPXVFZSA-N 424.505 1.585 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)COC 1358940479 ZCZGFMPFXRCGHG-CQSZACIVSA-N 404.540 1.899 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)COCCO1 1358979018 AGWWXTUJHWLVEF-KNQAVFIVSA-N 408.458 1.669 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1cccc(-n2cncn2)c1 1358981063 UYMZFKBWOSUTDT-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCNC(=O)OC(C)(C)C 1358982226 OMPGAPIPGLCHNS-UHFFFAOYSA-N 411.510 1.737 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCc1cccc(C(N)=O)c1 1358993600 RTDBKZQIAQOBJI-FQEVSTJZSA-N 405.502 1.977 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)COC)CC1 1359056418 FDNHMZQMDLJKJO-MRXNPFEDSA-N 407.540 1.181 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@@H](C)CC(N)=O 1359059707 WXOLVASUYGTBAQ-HNNXBMFYSA-N 411.535 1.583 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1359301437 YSLGPDYGUYFZMH-CVEARBPZSA-N 421.567 1.499 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359301641 FLZZZKPBMOXEEY-RTBURBONSA-N 422.533 1.727 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1437714497 KOZRQSBQZDIFHE-CYBMUJFWSA-N 412.251 1.767 30 10 HDEE C=CCc1cc(C(=O)N2C[C@@H](C(=O)OC)CC[C@@H]2C(=O)OC)cc(OC)c1OC 1437766438 HULBIBAJAYJQMK-GOEBONIOSA-N 405.447 1.999 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1 1449951536 WFOSVPUOGFLVRQ-BBWFWOEESA-N 424.457 1.124 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1C 1450528726 RSYLJYZZVOYCSD-INIZCTEOSA-N 416.499 1.943 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@@H](C(=O)OC)C[C@@H](O)C2)cc1OC 1452858295 BDWJLCJBTDBNNJ-DLBZAZTESA-N 422.478 1.607 30 10 HDEE C=CCN(C(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)[C@H]1CCS(=O)(=O)C1 1456087345 PBQDXNOPCWIJLM-HNNXBMFYSA-N 419.503 1.920 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC([C@@H]4COC(=O)N4)CC3)ccc2c1=O 1456565403 YBYDGUADHYWQDI-INIZCTEOSA-N 414.487 1.832 30 10 HDEE C#CC[C@H](COC)NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1457973075 ZSJHHVUVDYXBAH-CQSZACIVSA-N 406.508 1.181 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1462718151 CYFAPZOHNKFGGO-HNAYVOBHSA-N 418.556 1.756 30 10 HDEE COC(=O)[C@]1(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1463479858 MBTZCTLTMIQJEV-YJYMSZOUSA-N 405.838 1.260 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c23)s1 1469293467 HVEWJXCTJDCHGG-UHFFFAOYSA-N 421.504 1.277 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H](CO)NC(=O)OCc2ccccc2)C1 1469535810 SUSZFQFLUVGVQI-SFTDATJTSA-N 422.485 1.883 30 10 HDEE CC#CC[C@@H](CO)NC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1469720368 OHJCGYIEXMKXMP-BBRMVZONSA-N 408.296 1.936 30 10 HDEE COc1cc(CNC(=O)NC2(CCO)CN(C(=O)OC(C)(C)C)C2)ccc1C#N 1470083196 OQNSIZANKOKZIE-UHFFFAOYSA-N 404.467 1.738 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1471030268 YSDDABALMWFRAK-MSOLQXFVSA-N 418.494 1.869 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@]1(C)OCCc2ccccc21 1471553048 MDCMJWKATJHXMJ-YCRPNKLZSA-N 413.499 1.829 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1473526449 GETRIIOVGZENCY-MOPGFXCFSA-N 422.570 1.685 30 10 HDEE CC(=O)NC[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1474889002 GNOPPYBTEQEGOY-LBPRGKRZSA-N 400.298 1.858 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)Cc2cc(OC)ccc2Br)C1 1475667760 UFXNWXPHGACRES-CQSZACIVSA-N 401.326 1.975 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCC2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1477655641 DDFWLYOKWGSMTR-IBGZPJMESA-N 418.563 1.484 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@H]1CCCO1 1504995137 POUGSEOOXWPYGM-CGTJXYLNSA-N 404.515 1.358 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CCO1 1505321929 GCZGHNGLQGAIRZ-AWEZNQCLSA-N 407.409 1.355 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(Cc2nc([C@@H](C)OCC)no2)CC1 1507745971 HOGRBOWMRFTQPY-OAHLLOKOSA-N 419.555 1.756 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1507844421 JQPMGQBEDNYFIP-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1507967905 OIOTWRABODMJFE-GOSISDBHSA-N 413.526 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1508140230 GYLLSFTWPUEJBP-SQNIBIBYSA-N 424.567 1.983 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1518631245 DDRUKBYVZFXWIW-FVJLSDCUSA-N 416.526 1.696 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CC(F)(F)CO1 1519446089 BAIBUHHKJQUTJY-AJNGGQMLSA-N 413.425 1.155 30 10 HDEE C=CCN(C(=O)[C@H](COC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1530304330 XEFIJIPNODQZCA-GJZGRUSLSA-N 404.529 1.506 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](CC3CCOCC3)C(=O)OC)cc2C1=O 1533717010 KQRDOJFPCQGVLD-QGZVFWFLSA-N 400.431 1.557 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1538555283 GOSGIFBJZLFZRO-QGZVFWFLSA-N 401.463 1.554 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](C(=O)NCCC)C1 1539132878 RVWKGAMSPSVBIF-KRWDZBQOSA-N 400.527 1.557 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1Cc1cccc(OCC(N)=O)c1 1539257895 OWHKOGHXVVHMGK-UHFFFAOYSA-N 414.469 1.634 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCc1nc2ccccc2[nH]1 1539273324 PFOWFBPQFDMTJL-UHFFFAOYSA-N 415.501 1.982 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCCCS(C)(=O)=O)CC1 1539446643 HNNHPHDQZFUNJX-SFHVURJKSA-N 423.583 1.142 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(O)[C@@H](C)CC)CC1 1539460169 ZBOTUUVGIIYNFK-JTSKRJEESA-N 413.570 1.692 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2csc([C@H](C)OC)n2)CC1 1539462422 GXDQZIDZDFWWAQ-HNNXBMFYSA-N 404.540 1.782 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC[C@@H]2COCCO2)CC1 1539476509 ZGGMPIGTJZLBGQ-GOSISDBHSA-N 424.505 1.111 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1539511082 PRZQDJKYSLNYHI-HIFRSBDPSA-N 403.508 1.579 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCCn1cnnn1 1539570095 NKPJAYHRMVEXMS-TXPKVOOTSA-N 400.487 1.071 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H](C#N)c1ccccc1Br 1540032884 UJXUOZUWUWMLTB-ZIAGYGMSSA-N 400.298 1.944 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1 1540193876 UFPZGKPRQIBXDG-KRWDZBQOSA-N 405.433 1.827 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CCS(=O)(=O)C1 1540201178 PJQYIFRNYGJTRA-MRXNPFEDSA-N 405.524 1.337 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1540868552 JCRFJYSQUDTVLU-QGZVFWFLSA-N 424.509 1.294 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(C)on2)CC1 1540869011 ZFBNKBQWIPQBMH-UHFFFAOYSA-N 422.493 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(COC)CC1 1540904261 KWPDJHVCXVJXKF-UHFFFAOYSA-N 419.551 1.728 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](n3cncn3)C2)n1Cc1ccc(C#N)o1 1541666208 RWKPVSDTXVCYJX-CQSZACIVSA-N 409.454 1.362 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H](C)O1 1545059951 LUXRAXUVJGRLTK-HZPDHXFCSA-N 408.466 1.634 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C[C@@H](C)O1 1545061930 XRWCGNPVDSZIQZ-HZPDHXFCSA-N 424.505 1.869 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCc1nc(C)no1 1546532803 VCEDIEZPKDPXAG-UHFFFAOYSA-N 407.482 1.758 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1555500261 UPXYLBMMKASSPA-KRWDZBQOSA-N 410.478 1.576 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1558109881 DEEQHEQXRBVWFB-HOTGVXAUSA-N 416.927 1.316 30 10 HDEE NC(=O)c1nccnc1C(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633555 CZWYTIIMMPJVGB-OLQVQODUSA-N 418.244 1.819 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CO1 1558660530 WIFQDEZNRULFPL-NSHDSACASA-N 413.427 1.404 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C 1562033165 ZMNFDUPIPDORNE-UHFFFAOYSA-N 403.298 1.986 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H](CN3CCCC3=O)C2)cc1 1562623392 GEDXIWDTZNDHBD-GJZGRUSLSA-N 404.492 1.849 30 10 HDEE COc1ccc(OC)c(CCCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1564500424 HRCFIHSPJXWGAT-KXBFYZLASA-N 407.492 1.216 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NC[C@H]3CC4(CCOCC4)CO3)C2=O)cc1 1564547222 JEJHFYSSAHAVDQ-RTBURBONSA-N 412.490 1.939 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)[nH]n1 1565005482 UTMOYNNVOZTKMX-UHFFFAOYSA-N 422.489 1.841 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCN(c3ccc(Br)cn3)CC2)nc1 1565579765 GMFXVCFFDKJPLM-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1570504339 WAPHENCDEAJXPQ-GWCFXTLKSA-N 403.298 1.726 30 10 HDEE O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(C#CCO)c1 1584240995 XWJKQMUSWOCBJU-UHFFFAOYSA-N 411.889 1.762 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1585593164 BREJKWCTEMMIER-QFBILLFUSA-N 416.522 1.912 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1cc[nH]n1 1587552786 YUYXHRQNIZHCPD-UHFFFAOYSA-N 413.478 1.952 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1587989012 FDUMVKZIMSLLLG-HNNXBMFYSA-N 407.540 1.089 30 10 HDEE CCN1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2F)CC1 1588061974 LUDMHZOLIKWTEY-MRCUWXFGSA-N 415.469 1.823 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1588065030 RRBISMBUGLBSRH-XAUMDUMWSA-N 406.552 1.408 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588074346 MAIIYFKFHOHYSP-XLAORIBOSA-N 422.551 1.571 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1589109804 KEXTYMFJXHVYCI-IRXDYDNUSA-N 402.568 1.440 30 10 HDEE C=C(Cl)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1593894681 CXAVNKABENHILC-UHFFFAOYSA-N 406.899 1.504 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCCC)C1 1595550878 JDBYTDBZPUTYIK-INIZCTEOSA-N 404.559 1.912 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC[C@H](N(C)C)C(F)(F)F)ccc1F 1597436961 NXQRARUXXWYRMH-AWEZNQCLSA-N 411.421 1.902 30 10 HDEE CC(C)C(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1598136983 ICUAKKQPVCGSAM-OAHLLOKOSA-N 407.478 1.927 30 10 HDEE N#Cc1cccc(OCC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)c1 1603401323 KLTRVBLDRUBKEE-AWEZNQCLSA-N 401.220 1.774 30 10 HDEE C[C@H](CN1CCCCC1)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1611614742 FBSCRGSHQZSPTQ-IXDOHACOSA-N 401.515 1.080 30 10 HDEE Cc1cccc(C(=O)NCCn2c(C(=O)NC(C)C)nnc2N2CCC(C#N)CC2)c1 1612171768 DBZHBHDAJNFDMO-UHFFFAOYSA-N 423.521 1.895 30 10 HDEE CCCCOCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1614572918 ILBKPVNQWBMMNI-HOTGVXAUSA-N 411.528 1.116 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCCCC1 1616909296 GZMFHHNMKQLOEL-UHFFFAOYSA-N 424.553 1.894 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCS(=O)(=O)C(C)(C)C 1619911028 DKIUTLAPMZDSBV-UHFFFAOYSA-N 422.555 1.863 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1620532924 YPVZZRGPCMWBCB-JOCHJYFZSA-N 409.490 1.146 30 10 HDEE COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1620643299 CHBCRXOANWKEII-DZGCQCFKSA-N 404.492 1.192 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Nc3nccs3)cc2F)CC1 1623499286 WVJNTUDNJBXIAK-UHFFFAOYSA-N 401.467 1.533 30 10 HDEE N#Cc1ccccc1CSCCNC(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 1624405893 LMGXQAAULAKATI-IBGZPJMESA-N 415.490 1.767 30 10 HDEE C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1624866361 RBIPVHWGGHWSLT-QGZVFWFLSA-N 409.461 1.955 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2cccc(C)c2)s1 1625428347 OXPFOQGRRWSCHO-UHFFFAOYSA-N 421.544 1.610 30 10 HDEE COC[C@@]1(C(=O)NCc2cccc(OCC#N)c2)CN(C(=O)OC(C)(C)C)CCO1 1627820324 XFVYOBMIFXLDIC-OAQYLSRUSA-N 419.478 1.858 30 10 HDEE C#CCN(C(=O)CN1CCNC(=O)C1)[C@@H]1CCOc2ccc(Br)cc21 1629238732 SWTLBKWSUDCQOY-OAHLLOKOSA-N 406.280 1.166 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccc(N3CCOCC3)n2)c1 1633578749 ZFONREMRVLKSGR-UHFFFAOYSA-N 418.450 1.285 30 10 HDEE Cc1cccc([C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)c2ccccn2)c1 1633851144 DXDVTAXNXIHODB-GOSISDBHSA-N 404.430 1.613 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(Br)cc1 1636562983 QYCAODQDEJQSEZ-KGLIPLIRSA-N 400.298 1.586 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c(=O)nc1O 1637237793 LICVAVIDUDITEM-ZIFCJYIRSA-N 407.474 1.237 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)c3cc(C#N)sc3[N+](=O)[O-])CC2)CC1 1639436869 FMZDPJXPTKGNOD-UHFFFAOYSA-N 406.512 1.203 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CC[C@H](c2cc(O)nc(O)n2)C1)c1ccccc1 1639640885 SGSVODXVOYJNHB-HNNXBMFYSA-N 409.446 1.931 30 10 HDEE C#CC[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1 1642849483 ZWPQENJZWAKVPK-MRXNPFEDSA-N 406.508 1.771 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)Cc2ncc(Br)cn2)CC1 1644514609 KHHIQJOHIPLAFZ-HNNXBMFYSA-N 409.332 1.363 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)NC(=O)c2ccccc2OC)C1 1644638668 WZYOVABDOJVITR-FUHWJXTLSA-N 403.548 1.761 30 10 HDEE N#Cc1cncc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c1 1645029676 BOWOUXADNDKFFB-KRWDZBQOSA-N 400.460 1.341 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](Cn4ccnn4)C3)C2)C1 1645255651 ABJYDGJKGLWEEJ-DILDSAGESA-N 414.510 1.913 30 10 HDEE CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](CC#N)C1 1645300937 HNHAACDFMHGVKM-SJLPKXTDSA-N 421.519 1.868 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCn3ncc(I)c3C2)cc1 1648411851 CDOHNJNDQVELDW-UHFFFAOYSA-N 407.215 1.814 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1649012060 SPIKXKIORQDJED-UHFFFAOYSA-N 405.252 1.672 30 10 HDEE C=CCCC[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)C(=O)OC 1651221036 LPHHXSRBJNAMTB-ZDUSSCGKSA-N 417.466 1.005 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3CC[C@H](O)[C@H](O)CC3)C2)C1 1652215615 DEJJXTQCEJNJED-PJKBQJPOSA-N 407.511 1.554 30 10 HDEE C#CCNC(=O)C1CCN(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 1653407629 VBLZHISQPVHVGK-XMSQKQJNSA-N 405.539 1.864 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(N3CCCS3(=O)=O)CC2)CC1 1653877033 FXIUDIMTUZWMIE-OHTSDLOESA-N 410.584 1.806 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ccnc(CSc3ccccc3)n2)CC1 1655799238 YFMPKEVCSCJVHS-UHFFFAOYSA-N 403.533 1.359 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)S(=O)(=O)CCC(C)(C)S(C)(=O)=O 1661939158 CMHCWKZDXKCFNK-UHFFFAOYSA-N 402.538 1.550 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1sc(C(=O)OC)cc1OC 1662966204 VMGVHLKBOVVFIL-UHFFFAOYSA-N 403.478 1.509 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCc2cnc3n2CCOC3)cc1 1667956539 OVTFQFPKUUDPQT-UHFFFAOYSA-N 405.480 1.542 30 10 HDEE Cc1csc([C@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)C(F)(F)F)n1 1671916910 CKNRXKDZHGYMKN-VIFPVBQESA-N 402.358 1.188 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1672901835 CWBMDUPCYGPRMF-MSOLQXFVSA-N 414.572 1.557 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)Cc1ccc(C#N)cc1 1675932732 LINFLKQYORRTSD-UHFFFAOYSA-N 407.474 1.474 30 10 HDEE CC1CCN(C2CCC(NC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2)CC1 1685842547 CPHHCTUKZQCKSF-USWSCHJFSA-N 408.568 1.609 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1689901247 GNUNNBJIFRGQAB-MSOLQXFVSA-N 401.511 1.588 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCCN(C)C)cc1 1689942629 AHJKKECNKPSYCC-UHFFFAOYSA-N 410.522 1.572 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCNS(=O)(=O)c1ccccc1 1689968665 BHIMVMZCPIDYER-UHFFFAOYSA-N 410.503 1.312 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689988816 WSMUKEZMUWLBNG-QZTJIDSGSA-N 422.551 1.368 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@](C)(O)[C@@H](C)CC)CC1 1690135608 ZPDGKUPNORXAAV-ZVVDCOBXSA-N 419.570 1.554 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(CCOCC)CC1 1690169424 BCVMJPAUHSDXRV-UHFFFAOYSA-N 401.540 1.260 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1690364795 XRXMEYRZYFPHQQ-NVXWUHKLSA-N 424.571 1.303 30 10 HDEE CC(C)(C)S(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1691317670 BQPXXSUKPNIYLI-INIZCTEOSA-N 403.508 1.887 30 10 HDEE CCn1cccc(Cn2c([C@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1695798494 KBODUIBMNVYNRG-MGPUTAFESA-N 418.473 1.674 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1=O 1698076446 LYCDRLYDOUTJBV-MJGOQNOKSA-N 424.505 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC=C 1705477617 QKIRATWNHGXNPK-CVEARBPZSA-N 417.535 1.959 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1cccc(C)c1)[C@H]1CCS(=O)(=O)C1 1705565659 IQWPSDISBDWWNE-IBGZPJMESA-N 424.530 1.662 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567478 WTGCHXMFCNUIDC-IKGGRYGDSA-N 406.552 1.845 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1705569845 HKYUCZZIGSUJKZ-ZWKOTPCHSA-N 407.584 1.588 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1705632725 ADHIVLRKZBJQOV-WOJBJXKFSA-N 402.587 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCCCS(C)(=O)=O)CC1 1705639593 RUSIJUFSWBEGBY-SFHVURJKSA-N 423.583 1.490 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@H](C#N)C2)C1 1705973350 HJVDQGDAVVHQJS-IEBWSBKVSA-N 409.494 1.251 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1708321377 NFKYMGGHRJVXER-TVTNDZMWSA-N 408.506 1.940 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1712366329 ORPHFPMEQGTTRH-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1Cc1cnnn1C 1712453722 XXMSMGSMNOMMRF-UHFFFAOYSA-N 401.862 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1722294526 HFXSSFRDEBRMFX-STQMWFEESA-N 404.521 1.396 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)CCCN2C 1722353184 SVKVZMATGCYNEJ-GOSISDBHSA-N 413.547 1.680 30 10 HDEE C#CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1722463584 GUEOPXFXSLDQAA-VQTJNVASSA-N 419.551 1.013 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCS(=O)(=O)C1 1722476167 NRVCLJJOTIFEOU-YLJYHZDGSA-N 416.551 1.567 30 10 HDEE C=CCCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722606002 AROMZGDKQYLHKW-IBGZPJMESA-N 422.533 1.567 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1CCN(CCC)CC1 1740532535 HVMOQRVOSZHCBO-JKSUJKDBSA-N 410.588 1.468 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1740550930 RYYUOGGHGLZDBI-YOEHRIQHSA-N 404.492 1.683 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN(CC)S(C)(=O)=O 1740551923 OQJDZOFKWRJQFG-INIZCTEOSA-N 404.540 1.393 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C)CN1CCN(CC)CC1 1740615460 FGEWMTKFZOHPQU-UFYCRDLUSA-N 418.586 1.345 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCS(=O)(=O)C1 1740641160 GCMVSVAALZZSPA-OAHLLOKOSA-N 418.469 1.655 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccccc2)n1CC1(C(N)=O)CCOCC1 1740643905 WGWMYFWUASRZFE-UHFFFAOYSA-N 405.502 1.418 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC(=O)NCCc1ccccc1 1740659470 NGKIUIRJIUZNDI-HXUWFJFHSA-N 405.502 1.951 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1Cc1ccc(C(N)=O)nc1 1740686822 OHRMNTPLILITQF-UHFFFAOYSA-N 422.464 1.636 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](c2noc(C3CC3)n2)C1 1740964530 QEGOWSYAEIBMLO-OAHLLOKOSA-N 415.498 1.761 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)CC1 1747371405 NODAJSJHOBXEMW-IBGZPJMESA-N 416.501 1.960 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1748805818 WNPPKEPNTDVSHA-JKSUJKDBSA-N 423.539 1.261 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1748817347 JMOAALWZWZDPTC-GJZGRUSLSA-N 421.548 1.304 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1748841006 PFEHXIFCNFIOOT-GOSISDBHSA-N 403.494 1.154 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCc2nccn2C1 1748948543 QQGIOHCPEPGCCN-KRWDZBQOSA-N 411.510 1.059 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC[C@@H]2CCCCO2)CC1 1748977396 HRGGZSJXRPGKNH-MOPGFXCFSA-N 405.543 1.717 30 10 HDEE C#CCSCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1749049244 ZWZXDWQHZFUHOU-KXBFYZLASA-N 408.524 1.296 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cc(C)no2)CC1 1749228509 AXSDGSWWFORRLL-GOSISDBHSA-N 416.526 1.993 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1749594719 PVVGLGJWOHPKRX-UHFFFAOYSA-N 420.477 1.667 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)Cc1cnn(C)c1 1749655379 JMTRBKJNCJFORD-UHFFFAOYSA-N 410.438 1.525 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749678156 XTRHTQBKMGVKOY-YOEHRIQHSA-N 401.515 1.303 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC[C@@H]2C)C1 1749714435 JYFFEGYIUQVXGW-ICSRJNTNSA-N 412.538 1.766 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(C)s2)C1 1749717998 SPJRAXPJXCSVRY-CQSZACIVSA-N 403.512 1.390 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1749763804 JKKSMQOPCVLXDJ-JXFKEZNVSA-N 423.583 1.940 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@]2(O)CCOC2)C1 1750380754 YJRWSRNXCHFQQW-MSOLQXFVSA-N 402.386 1.447 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc([C@@H](C)OC)n1 1760117730 SRFKFFHIXVRLTP-MJBXVCDLSA-N 423.564 1.850 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 1760155110 QBFAVEBUSIRYOI-KRWDZBQOSA-N 420.539 1.154 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1760190035 XLIKHINKCMJENG-CVEARBPZSA-N 412.581 1.552 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1760205627 GKGPKVFRGGJDGS-IBGZPJMESA-N 401.474 1.997 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760346216 OIAKSUMEUPVFBO-OAGGEKHMSA-N 421.498 1.724 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CC(=O)N1CCOCC1 1760503070 XUWYKEWKPCPIPT-UHFFFAOYSA-N 400.483 1.146 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C)C1 1760521613 YQSIWWPBZAALFY-CYBMUJFWSA-N 409.450 1.121 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N(C)C 1762673710 BWZJACKVBSVYPT-QGZVFWFLSA-N 412.494 1.627 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CC(F)(F)CO1 1763111949 ASAOFGSJFGUMSQ-ZIAGYGMSSA-N 418.452 1.641 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(CC)C(C)C)CCOC1 1767481102 AMVPCOCFNXYYGH-PXNSSMCTSA-N 406.531 1.389 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCCC1(C)C 1769843186 APZRYFGCKVFHMP-FQEVSTJZSA-N 401.515 1.986 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CC[C@@H]2CCOC2)CCO1 1770751746 LZRHBNBVAJXSIK-HUUCEWRRSA-N 416.507 1.425 30 10 HDEE O=C(CSCc1cc(=O)n2ccsc2n1)ON1C(=O)c2ccccc2C1=O 1772786042 MYHBRDNRRQKUGJ-UHFFFAOYSA-N 401.425 1.744 30 10 HDEE C=CCN1C[C@@H](C(=O)OCC2(NC(=O)OC(C)(C)C)COC(C)(C)OC2)CC1=O 1849327310 FSAXLAVPVZSQHK-AWEZNQCLSA-N 412.483 1.611 30 10 HDEE N#Cc1c(O[C@@H]2C[C@@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc2sccn12 1849753265 QGTPGCNZFPQXTI-HUUCEWRRSA-N 407.455 1.658 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)cnc1OCC)C(C)C 1851635539 YPLLNCQBJKXEJP-UHFFFAOYSA-N 422.551 1.290 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCC(=O)N3Cc3ccc(Cl)cc3)CC2)n1 1851816613 DMSYCWYVGJISIR-SFHVURJKSA-N 424.892 1.841 30 10 HDEE CN(C)C(=O)[C@@H](C(=O)OCCN1CCN(c2ncccc2C#N)CC1)c1ccccc1 1851889446 BRKJOGONPBGJHR-FQEVSTJZSA-N 421.501 1.490 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1Cc1ccc(F)cc1 1852910686 MMUNIVCHKCBNRO-UHFFFAOYSA-N 406.425 1.398 30 10 HDEE CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(-c3ccc(C#N)cc3)cc2)CC1 1853003394 PKSXGEZZBUXQCH-UHFFFAOYSA-N 412.515 1.532 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN2S(=O)(=O)c2ccc(Cl)cc2)CC1=O 1853223860 HWMWXZSVNJKHAX-GFCCVEGCSA-N 411.867 1.039 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(CC(=O)c3ccc(Cl)c(Cl)c3)C2)CC1=O 1854236060 ADZADMKIPXVRFK-AWEZNQCLSA-N 423.300 1.835 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)COc2ccc(OCC)cc2)C1=O 1854330692 PRKYRHQYRHBVDR-RBUKOAKNSA-N 415.490 1.310 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@@H]2CCC(F)(F)C2)C1=O 1854339356 TWCRFOOWTQQZBY-CJNGLKHVSA-N 418.448 1.422 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)cc1C 1854947831 DGAMNRJJKFOTDU-HNNXBMFYSA-N 412.471 1.632 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)c3cn(-c4ccncc4)nn3)C1=O)CC2 1855022969 MMQAMIAYERRFPP-QAPCUYQASA-N 405.462 1.419 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cncc4cccnc34)C(=O)C2)C1 1855045810 HLSZJNSMYQCVEY-WMZOPIPTSA-N 406.490 1.681 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1855312027 KYRAQADUJAHJQO-KRWDZBQOSA-N 423.579 1.630 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4cc(C)on4)CC3)CC2=O)CC1=O 1855752551 ADCKFAONPXTAAH-MSOLQXFVSA-N 414.506 1.605 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)C[C@@H]3CCCCO3)C2)CC1 1855858725 ZWLRWATVSDYGJM-MJGOQNOKSA-N 411.506 1.410 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CCN(CCC#N)C(C)(C)C2=O)cc1 1855895716 LRFUPOWYYPVVNF-UHFFFAOYSA-N 405.520 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@]2(C[C@H]1C(=O)N1CCN(CCC#N)CC1=O)CC2(F)F 1856035710 ULTYPSJOKZRJOL-SCLBCKFNSA-N 412.437 1.606 30 10 HDEE CCCc1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)no1 1856410706 NDRFYHUIYHSLLC-CQSZACIVSA-N 409.446 1.646 30 10 HDEE Cc1nccn1CCC(=O)N1CC[C@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856468168 GDXNSLGJUSCZGZ-IBGZPJMESA-N 406.490 1.855 30 10 HDEE C=C1CCCN([C@@H]2CCCCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2=O)CC1 1856558811 PGDNQGGSTUTOHQ-AZUAARDMSA-N 417.550 1.964 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CSc3ccc(OC)cc3)OCC2=O)CC1=O 1856585304 SKWCRXINNKENMT-GOEBONIOSA-N 404.488 1.576 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)Cc3ccc(C)cc3)C2)CC1=O 1856802770 DYXNCPIIJOIRHY-IAGOWNOFSA-N 408.476 1.018 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C(C)C)cc3)C2)CC1=O 1856905839 XYCVGUBONNAANO-DLBZAZTESA-N 422.503 1.692 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857240574 QSOFFFXODUNVSK-IEBWSBKVSA-N 401.482 1.852 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O)n1cccn1 1857249744 XFHHVJPNUSUNCW-SJORKVTESA-N 406.490 1.965 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O)n1cccn1 1857464378 BEFJVSAMIOUGKY-CVEARBPZSA-N 408.462 1.239 30 10 HDEE N#Cc1ccccc1NC(=O)CNC(=O)c1ccc(NC(=O)c2cnccn2)cc1 1859073458 JWERTMMDCPDCLI-UHFFFAOYSA-N 400.398 1.969 30 10 HDEE CCCOc1ccc(/C=N/NC(=S)NCCN2C(=O)CSC2=O)cc1OC 1860499708 VDYQCDXXHKSPNO-VXLYETTFSA-N 410.521 1.977 30 10 HDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870143772 BATSUWRHASOIPP-UHFFFAOYSA-N 412.369 1.250 30 10 HDEE N#Cc1c(NC(=O)COc2nonc2C(=O)NCc2cccnc2)sc2c1CCC2 1872707099 CDZJYKUMTYNYBA-UHFFFAOYSA-N 424.442 1.834 30 10 HDEE C=CCNC(=O)C1CCN(C(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 1872923174 BDULGHPIXUBHFY-SFHVURJKSA-N 401.482 1.758 30 10 HDEE CCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCCO)cc1OCC 1874436408 ZOBQYSQAHFTAQK-RGVLZGJSSA-N 407.496 1.678 30 10 HDEE COCCc1nnc(SCC(N)=O)n1/N=C/c1ccc(OC(C)C)c(OC)c1 1874470709 NWGONGHONUXYDH-KEBDBYFISA-N 407.496 1.722 30 10 HDEE Cc1ccc2onc(CC(=O)N3CCC(OCC#CCN4CCN(C)CC4)CC3)c2c1 1889513695 CAZQCMAPQURNNT-UHFFFAOYSA-N 424.545 1.937 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1960393366 DNJJFKVVYRPRHJ-JJXSEGSLSA-N 410.515 1.848 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2 1987171461 QUHUGOHNVGLBGY-NSHDSACASA-N 411.318 1.281 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)s2)[C@H](CO)C1 2116329195 HHHZCNLMRGEWJA-AAEUAGOBSA-N 401.510 1.516 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N=[S@](C)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 2118165898 FYHHYXIWKANZMI-VWLOTQADSA-N 408.546 1.431 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)s1 2154497706 INJJSMUVWQPMAX-UHFFFAOYSA-N 404.517 1.418 30 10 HDEE CCOCCS(=O)(=O)N(C)[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186598181 UKNJKVKNZSPCNQ-LBPRGKRZSA-N 404.363 1.801 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NC(=O)[C@@H]3CCCS3(=O)=O)n2)OC1(C)C 2241112263 OTAUSKHNBFYLAD-NSHDSACASA-N 400.693 1.550 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2241668786 WKFKCJOTRCJQHX-KBPBESRZSA-N 401.504 1.800 30 10 HDEE C#CCNC(=O)CNC(=O)C1(COCc2ccccc2)CN(C(=O)OC(C)(C)C)C1 2243708151 LVSHOWXGSQHCQE-UHFFFAOYSA-N 415.490 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247935075 IOTUQBFGQZUPHN-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE Cc1c(C(=O)N2CCN(Cc3ccccc3)CC2)c(B2OC(C)(C)C(C)(C)O2)nn1C 2255831743 AOCJAYSLPXDNPQ-UHFFFAOYSA-N 424.354 1.986 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@H](O)[C@H](CO)C3)sc2Cl)OC1(C)C 2282058606 WOWLKBYOSJROGY-JQWIXIFHSA-N 401.721 1.516 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H](C3)C4O)cc2Cl)OC1(C)C 2282306415 MVRARTJEKPVDBE-HWYHXSKPSA-N 419.761 1.702 30 10 HDEE CCN(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CC1 2282329751 QTMRKCGECHJLHK-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@H]1CO 2282331652 QENJKDQCPXJFOM-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CCC[C@@]1(O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332536 CKRORRDRBLXAAF-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CC[C@@H]1CNCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338545 RWARVQZRYMAURM-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@@H](N)CC2)OC1(C)C 2282495448 MKSRROWRBOIDIA-OKILXGFUSA-N 400.375 1.737 30 10 HDEE C[C@H]1[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282496460 BDBSCVFHWSWPMT-GXTWGEPZSA-N 400.375 1.559 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@@H](CO)C2)OC1(C)C 2282497420 PLTHQMJJAQBXQY-TZMCWYRMSA-N 401.359 1.628 30 10 HDEE CC[C@@H]1NCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834895 NYAXCIALCCFGCB-NWDGAFQWSA-N 401.363 1.002 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](N)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834968 ZGXLLDHQYPSXSC-QWHCGFSZSA-N 400.375 1.856 30 10 HDEE CN(C[C@@H]1C[C@@H]1CF)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839609 GQJMSAFYYJOYAX-NEPJUHHUSA-N 404.338 1.810 30 10 HDEE CCN1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2282843181 JKXADMMHQFTOGI-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](C)S(C)(=O)=O 2282854983 YARZNEATADWZDU-QWRGUYRKSA-N 423.387 1.147 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CO)c2cscn2)OC1(C)C 2282866385 IJVDLOIPACAVDA-LLVKDONJSA-N 416.355 1.516 30 10 HDEE CNCC1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282883352 ZHMOSDVNMJGIGV-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(=O)O)[C@@H](C)F 2284399201 HMKYZWXXNMVRBR-PELKAZGASA-N 407.294 1.445 30 10 HDEE CC#CCN(C[C@@H](N)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2328402977 VNJDJTOLTGAVGW-GFCCVEGCSA-N 416.320 1.947 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360621469 YOTSDKDWHKJYAZ-JTQLQIEISA-N 402.218 1.248 30 10 HDEE COC1(C#C[C@@H](O)C[C@@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363630435 USUXJEWLFBJKCU-HZPDHXFCSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367792966 AJALPINANYDLRW-ZIAGYGMSSA-N 401.481 1.436 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367793739 DMTLMCGJGRNAAR-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CC)CNC(=O)OC(C)(C)C 2367821166 AUZRRWWXKGYSIA-BEFAXECRSA-N 402.557 1.601 30 10 HDEE Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(=O)c1C#N 33048852 CJFXIRNBHNSNJB-INIZCTEOSA-N 408.458 1.884 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CCCN3C(=O)Cc3cccs3)CC2)c1 55185044 VWMJPWUKABYGFL-SFHVURJKSA-N 409.515 1.897 30 10 HDEE CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 63696953 WRIHDSUIIADQNI-UHFFFAOYSA-N 403.439 1.426 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)NCC#Cc3ccc(C(N)=O)cc3)n(C)n2)c1 96348166 JAVYGYYTBFLLKH-UHFFFAOYSA-N 418.453 1.985 30 10 HDEE Cc1ccsc1[C@H]1c2c(nc(N3CCC(C(N)=O)CC3)[nH]c2=O)NC(=O)[C@@H]1C#N 101443608 CVWAZDKSEVTMLA-VXGBXAGGSA-N 412.475 1.065 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 253390116 LQQVURUBFJKELJ-IVVJQCRJSA-N 422.474 1.605 30 10 HDEE CCCCCOC(=O)CSc1nnc(N/N=C/c2c(C)nn(CCO)c2C)[nH]1 253573398 RJOHEXZSBBPSLK-VCHYOVAHSA-N 409.516 1.882 30 10 HDEE C[C@H](CN1CCN(c2ccccn2)CC1)Nc1ccc(S(N)(=O)=O)cc1C#N 301395786 LXSMJHXJXFNCTL-OAHLLOKOSA-N 400.508 1.223 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)c2cccc(O)c2)cc1 427119488 JREYWITUCKWQKB-KRWDZBQOSA-N 410.455 1.534 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(C#N)ccn1)n2C 436017252 BBVMAHPLIKALQC-UHFFFAOYSA-N 412.475 1.662 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3nc4cccc(C)c4o3)CC2)C1=O 444543293 DXBJAZMQLYQYKG-UHFFFAOYSA-N 410.430 1.819 30 10 HDEE Cc1nnnn1[C@H](Cc1cccc(F)c1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461276521 LKWIJAXGNCICKX-GOSISDBHSA-N 417.408 1.996 30 10 HDEE COC[C@](C)(C#N)NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 464179391 FWVRFDDMJCYEAY-FNLITVRXSA-N 419.481 1.511 30 10 HDEE CCn1cnc(S(=O)(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)c1 474052760 CEQMLCXPHFVGTC-UHFFFAOYSA-N 413.507 1.762 30 10 HDEE C[C@H](C(=O)N1CCCC1)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 480717222 SPDSSBSQLWJVKT-OAHLLOKOSA-N 408.499 1.156 30 10 HDEE CC1(C)CC[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 489509238 GITLABOVOAHGSO-MRXNPFEDSA-N 406.508 1.532 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@]3(F)CN(CC4CC4)C(=O)[C@]3(F)C2)c(Cl)c1 503718565 GFGAWYVLZIRSOH-DLBZAZTESA-N 415.849 1.885 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 509001409 MXIWWXJQONVHJY-MRXNPFEDSA-N 403.508 1.055 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOc2cccc(F)c2C1 513077119 USGBEPQVPRBDRG-CYBMUJFWSA-N 403.435 1.785 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCN2C(=O)COc3ccccc32)n1 536964827 CBFIJGUQWNEPKU-UHFFFAOYSA-N 424.461 1.380 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H]3CCN(c4ccccc4F)C3=O)CC2)n1 546223779 SAVBHFXSGZIECM-QGZVFWFLSA-N 408.437 1.729 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC(S(=O)(=O)NC4CCCC4)C3)cc2C1=O 546736302 BIHMACYKPQBPMR-UHFFFAOYSA-N 417.487 1.155 30 10 HDEE COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546884724 VOXGGMMKDAJYPP-UHFFFAOYSA-N 414.487 1.868 30 10 HDEE COC[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)c1ccccc1 557254220 YAYRDMSYUJKQKN-IBGZPJMESA-N 410.449 1.850 30 10 HDEE CC[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCN1CC(F)F 568819511 PXPLNJIUYMAGDF-AWEZNQCLSA-N 400.451 1.024 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCO2)CC1 584416775 UBJQHFFVSRAFFV-KRWDZBQOSA-N 404.559 1.470 30 10 HDEE Cc1csc([C@@H](C)NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1 587983929 OGXVAOCJKWJIAK-GFCCVEGCSA-N 414.491 1.715 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)C[C@@H](C)O1 609255812 MGQWCIPKZFVXEF-OKILXGFUSA-N 411.437 1.961 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)c(F)c2)c(=O)n1Cc1ccccc1 609450314 MTCMEUABJYTECJ-UHFFFAOYSA-N 407.470 1.655 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2Cc1c(C#N)c(C)nn1-c1ccccc1 611348221 SQXMOPKSVTZFNG-JYBIWHBTSA-N 408.458 1.977 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 670232000 OVRXSDBMRKVBQH-MRXNPFEDSA-N 409.498 1.652 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2noc(C)n2)CC1 685550488 NNQORHPYWRQKQX-UHFFFAOYSA-N 423.481 1.515 30 10 HDEE COCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccccc1 727416412 ORGBSYVWENRGPA-UHFFFAOYSA-N 423.494 1.207 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H](N2CCCC2)C1 730792832 DAJZUSUFXGVAAZ-INIZCTEOSA-N 404.536 1.592 30 10 HDEE C#Cc1cccc(N(C)C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 731629522 DPRRTACSOUJODE-BHIYHBOVSA-N 402.516 1.740 30 10 HDEE COc1ccccc1N1CCC(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732459615 VZIVSYUXECMUAK-FMQUCBEESA-N 413.478 1.490 30 10 HDEE COc1ccc(C[C@@H](C)NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732462038 DLIIYNGXTWFWIP-LTFJSZEESA-N 402.451 1.460 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732669237 JWIJKXPGVSBOBG-LBPRGKRZSA-N 403.913 1.104 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]21 734291592 VICVXFIPRBRWFH-KEYYUXOJSA-N 422.532 1.397 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cccc(CC)c3)c2=O)cn1 735068492 IYRIIDIZNXQJNK-UHFFFAOYSA-N 421.526 1.317 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735309181 IPGXRHYIZOYLHU-INIZCTEOSA-N 408.930 1.901 30 10 HDEE CCc1nc(COC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)n[nH]1 754776423 DFWIJGVKQCNANG-UHFFFAOYSA-N 405.480 1.709 30 10 HDEE C#CCN(C(=O)Cc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCS(=O)(=O)C1 755221656 XVLVCWURVUOYGI-CYBMUJFWSA-N 415.265 1.549 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)N2CCN(c3cccc(C#N)n3)CC2)C1 760773427 MZWINXPNGPDNNV-QGZVFWFLSA-N 415.494 1.628 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(C(=O)Nc2cccnc2)cc1 763407775 CRSDBDIZJHDLBU-LSDHQDQOSA-N 419.441 1.867 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(-n2ccnc2)c1 765309669 LQNOZXSVMJBXLY-CQSZACIVSA-N 410.459 1.122 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NOC[C@@H](C)NC(=O)OC(C)(C)C)cc1 767162538 HKXUBFQBADKMEZ-CYBMUJFWSA-N 413.496 1.726 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)OC2CCN(CC#N)CC2)C1 770781646 CDQFVARZVDEVBC-OAHLLOKOSA-N 410.496 1.223 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(Cc3ccccc3)CC2)cc1C#N 774538355 ALWQBFIKONGPBW-UHFFFAOYSA-N 406.486 1.964 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCN(c4ccc(F)cn4)CC3)C2=O)cc1 774648166 IFDLEHGYZCOMAN-UHFFFAOYSA-N 408.437 1.636 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@H]2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1C1CC1 777752408 MPKMQXZURMEKFI-YOEHRIQHSA-N 405.861 1.966 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 780859258 GRSVYOADROSPBR-FQEVSTJZSA-N 402.458 1.461 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780940637 PIEOPYDLRYZWDD-HNNXBMFYSA-N 419.425 1.407 30 10 HDEE CC(=O)N1CCN(Cc2ccccc2NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 782078805 QEECPMYFMNWOOT-HXUWFJFHSA-N 410.522 1.555 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 784126962 QWTZWXRHYCEZKU-KRWDZBQOSA-N 402.520 1.336 30 10 HDEE COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 786908779 DFHHFTNWXZLZOS-UHFFFAOYSA-N 403.420 1.381 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccccc2N(C)S(C)(=O)=O)n1 788634330 MMWBDLLPAXJSMN-UHFFFAOYSA-N 419.507 1.593 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(S(C)(=O)=O)cc2)n1 788869666 RUEZKFBULWFSKI-UHFFFAOYSA-N 404.492 1.278 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)n1 788997820 KFEZNMKKNUGFTN-KRWDZBQOSA-N 424.505 1.052 30 10 HDEE C[C@H](CC(=O)NC[C@@](C)(O)C1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 791066890 LMRMRURGFFUCQP-JLTOFOAXSA-N 407.536 1.951 30 10 HDEE N#Cc1ccc(COC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1F 791416422 JGVVZXNPXAWAMU-MRXNPFEDSA-N 412.826 1.733 30 10 HDEE COc1ccc(CCNC(=O)[C@@H](C#N)C(=O)c2cnn(C)c2SC)cc1OC 791771129 JQSZQBBGQZERGM-ZDUSSCGKSA-N 402.476 1.841 30 10 HDEE N#Cc1ccnc(N2CCC[C@@H](OC(=O)Cn3c(O)nc4ccccc4c3=O)C2)c1 791975705 BINQVGDQAYHHCG-OAHLLOKOSA-N 405.414 1.581 30 10 HDEE C=CC[C@]1(C(=O)NC2CC(NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 801462363 VBCRAMJLQDSYFK-WTNGLUPJSA-N 401.529 1.529 30 10 HDEE Cc1cc(N2CCN(C(=O)COC(=O)c3cc(C#N)ccn3)CC2)nc(C(C)C)n1 803848813 XLAXHDKMJDFMLY-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC1(Cc2cccc(F)c2)CCOCC1 818363232 HQIONYPDLGHAMR-VXPUYCOJSA-N 401.438 1.950 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1ccccc1OCC#N 919818912 FEVPZWUZUZUCOQ-UHFFFAOYSA-N 416.478 1.740 30 10 HDEE COc1ccc(OC)c(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)c1 1084628679 TYQRTILALMLXER-UHFFFAOYSA-N 416.467 1.732 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CC[C@@H](C(=O)OCC)C2)c1 1125419024 QORBOZOBKAHFIK-RBUKOAKNSA-N 412.486 1.839 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(CNC(=O)OC(C)(C)C)CCCCC2)C1=O 1131851443 URBQTFNCJWWJIT-UHFFFAOYSA-N 422.482 1.307 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCC1CCC1 1136634303 YOYNSLNDTLJRAW-OAHLLOKOSA-N 401.529 1.129 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)c2ccccc2NC(=O)Cn2cc(C#N)c(O)nc2=O)C1 1141603171 FNXMMQGUUJFHMX-OKILXGFUSA-N 409.446 1.577 30 10 HDEE N#Cc1cccc(C2(NC(=O)[C@@H]3Nc4ccccc4S(=O)(=O)N3)CCOCC2)c1 1147808836 FMRTZGMBQUFNLD-GOSISDBHSA-N 412.471 1.410 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nnc2ccc(N(C)C)nn12 1156827626 HAFIDCBGUQKWKP-ZDUSSCGKSA-N 401.471 1.113 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 1158516106 JYGUFNJBSSEOIU-OALUTQOASA-N 405.539 1.695 30 10 HDEE N#Cc1cc(N2CCN(c3nc(N)nc(C4CC4)n3)CC2)ncc1Br 1164254629 FUINHPGMFSZCLC-UHFFFAOYSA-N 401.272 1.687 30 10 HDEE C#C[C@@H]1CCCN(CC(=O)N(CCCC)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1171573443 RCDGOSBUTUOVTB-MRXNPFEDSA-N 403.527 1.665 30 10 HDEE Cc1ccc(NC(=O)CN2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)N(C)C 1198241135 MMSFFXWSPLRDER-UHFFFAOYSA-N 421.519 1.522 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCOCC1 1231331234 IJANBCYLIJTFCY-GOSISDBHSA-N 408.543 1.609 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286386349 YSMCRXHUERKUOR-SJORKVTESA-N 424.567 1.350 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1286396390 UPDUKWBGIRCXOZ-YLJYHZDGSA-N 424.567 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1Cc1cn(C2COC2)nn1 1286403009 FCWPKLBEXKNWHU-UHFFFAOYSA-N 407.865 1.882 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)C1CC1 1286456696 STDGMMIRTOBMDD-UHFFFAOYSA-N 421.480 1.984 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CC[C@@H](F)C2)CC1 1286471941 BRQPWUHRJQIXKS-UEXGIBASSA-N 405.518 1.824 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCS(C)(=O)=O)CC1 1286476586 ZPOHXUVGHWSSLK-UHFFFAOYSA-N 424.530 1.293 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1286696169 VXTBTKSYBAGLAA-MRXNPFEDSA-N 407.482 1.589 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)c(OC)c1OC 1286722902 BUVVNUXLQHGRIJ-CQSZACIVSA-N 401.467 1.926 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H]2CCSC2)n1Cc1ccc(C#N)o1 1288782835 WLIBMUFMCXVXGT-VXGBXAGGSA-N 410.525 1.343 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(N4CCNC(=O)C4)nc3)n[nH]2)c1C 1290805352 BBCDBZJOVYADEQ-UHFFFAOYSA-N 420.477 1.660 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1293503462 GFJKPYLIPRIVTD-GXTWGEPZSA-N 411.911 1.846 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1C#N 1294124071 SXCOCTBPHFPGIE-AWEZNQCLSA-N 400.298 1.403 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](S(C)(=O)=O)CC2)s1 1296954852 GRFZIIYPCGCBGK-AWEZNQCLSA-N 420.578 1.181 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)nnc1-c1ccco1 1297519136 VYFIDDYBUUEUFV-HOTGVXAUSA-N 417.535 1.874 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC[C@@H](C)C1 1300310902 PSNPAVRTSVHPLP-QZWWFDLISA-N 409.556 1.505 30 10 HDEE C#CCCCCn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300375682 AGEWPVQXDVBNAG-GHTZIAJQSA-N 406.527 1.974 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@]1(O)CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1300496934 WMBXZQFOHPBANB-SQGPQFPESA-N 408.568 1.654 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300502831 YKCQBCAFCHTRHJ-IAGOWNOFSA-N 422.576 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cc(C)on1 1300536290 UHBSQCRKKTZYMB-UHFFFAOYSA-N 416.489 1.870 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1300695974 QFUBCYWBGWLXHR-AZUAARDMSA-N 410.522 1.455 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCCCCC2)CC1 1300697716 IKBYTFFZEZBCFX-QGZVFWFLSA-N 400.527 1.070 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1300699782 HUOYPMPALGLKKD-GCJKJVERSA-N 413.522 1.655 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc2C1 1300733941 OQZAXNWTMQUCKL-OAHLLOKOSA-N 419.576 1.817 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)NCC)CC1 1300766711 IQOMUHKLWKKNKH-UHFFFAOYSA-N 413.551 1.482 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(Cc2cc(C)no2)CC1 1300777521 XCYHDDMUYVKDJH-UHFFFAOYSA-N 404.540 1.800 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CC1(S(C)(=O)=O)CCC1 1300778651 CMDVRYZSGDDDLR-LJQANCHMSA-N 419.551 1.474 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1300989396 ASTUJBXFHPMWBE-FXAWDEMLSA-N 424.567 1.780 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301497205 RQZNJHLLEHBZEX-CQSZACIVSA-N 420.477 1.090 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1301569123 QBCRVCDSRFMMAH-MRXNPFEDSA-N 408.528 1.314 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301587629 WEDDJUJJDOUDNL-GOSISDBHSA-N 423.564 1.233 30 10 HDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301922176 GLTIGHZFFRCDDC-CQSZACIVSA-N 422.493 1.314 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)SCC(=O)N3)cc1 1302703626 RQJZPZRLFMLBMI-UHFFFAOYSA-N 401.469 1.895 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CCn3cc(S(N)(=O)=O)cn3)CC2)OC1(C)C 1303200477 MIAMUHHESIIAFO-UHFFFAOYSA-N 412.321 1.005 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCCCO)C1 1303934314 QYXBIWRZIOGYNM-QFBILLFUSA-N 409.556 1.863 30 10 HDEE C[C@H](CC(=O)N[C@@H](CO)c1cc(F)ccc1F)/N=C1/NS(=O)(=O)c2ccccc21 1305532375 DRPUJAHXKRXBOO-BZNIZROVSA-N 423.441 1.632 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCC(=O)N3CCc4ccccc4C3)CC2)cn1 1311834038 BIVNLZMLTDQCAZ-UHFFFAOYSA-N 404.474 1.370 30 10 HDEE CN(C)C(=O)CCCn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314634360 FMCWWGVXKMTERG-UHFFFAOYSA-N 408.510 1.617 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2OCCC2(C)C)CCO1 1315014024 TZJAMLQMPOJGNJ-MSOLQXFVSA-N 424.505 1.583 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1315067867 RKGTXKXOLRVEAW-FVQHAEBGSA-N 400.508 1.601 30 10 HDEE COCCOC1(Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316224957 MNDPMMCJCLCVLK-SFHVURJKSA-N 419.526 1.877 30 10 HDEE CN(CC#Cc1cccc(Cl)c1)C[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1332649423 WLSLPUDRVQCAQT-ZJKGHYPUSA-N 402.922 1.866 30 10 HDEE CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1349784889 AZKVKPUUBGOJRA-GJZGRUSLSA-N 401.529 1.999 30 10 HDEE C#CCN(C(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1nccs1 1355155353 DXJSHEVTXISLQL-UHFFFAOYSA-N 407.253 1.015 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H]1CCOc2ccccc21 1358938701 HXDPBYFSCFHUMP-CVEARBPZSA-N 417.535 1.914 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1358950985 DVNVEDBHRPDUHF-INIZCTEOSA-N 408.428 1.596 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1358961933 HIFCNPYCENPWDB-PXNSSMCTSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1358983382 FYPXDDLUVPZHRN-AZUAARDMSA-N 420.517 1.871 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1359018686 YVXPQIFXUMJOLT-ZWKOTPCHSA-N 423.583 1.692 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1359023412 JWMGXVCEKNEQLS-CYBMUJFWSA-N 405.409 1.091 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2ccc(OC)c(O)c2)n1 1359027229 ANUDJIYSBBGXCU-UHFFFAOYSA-N 410.478 1.832 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cccn2)CC1 1359033921 WEFDYVGVWQJRBD-UHFFFAOYSA-N 405.506 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@](C)(O)C2CCCCC2)CC1 1359034410 POUIEKIODSVFDT-JOCHJYFZSA-N 409.538 1.822 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359135456 DNYOGHOYCRMKKT-ZWKOTPCHSA-N 403.527 1.856 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1359148724 ADTNJQJMOMAGLX-UHFFFAOYSA-N 403.918 1.611 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1359150525 AKQWZJBDYYPIOO-KZULUSFZSA-N 408.890 1.349 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccco1 1359281821 KDIXPBBNJNQQAY-BEFAXECRSA-N 424.523 1.320 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359298134 OKOLQPJKDILROO-CQSZACIVSA-N 401.471 1.290 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN(C)CCC)C1 1359300318 ZBLIDWCFJCPNHT-ZWKOTPCHSA-N 404.559 1.642 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1359330945 HRKHYNRRTTWTMZ-OAHLLOKOSA-N 410.540 1.531 30 10 HDEE CCOCCOC1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1441623666 MZYCFPRFJWGOAO-UHFFFAOYSA-N 423.535 1.549 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)s1 1446051203 QRHHBIURSHXPHE-GJZGRUSLSA-N 400.522 1.161 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H]1CCCN(Cc2ncon2)C1 1449358838 PXMPGQLUVFJZAB-HZPDHXFCSA-N 420.514 1.985 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCO[C@@H](c3cnn(C)c3)C2)s1 1450319531 YBPHVQKLQVROKJ-GDBMZVCRSA-N 424.548 1.525 30 10 HDEE COCCN(CC#N)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1450840343 HYWQLCIXBWATPJ-OAQYLSRUSA-N 423.469 1.885 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1452477739 RSNXXVUPOZLPSJ-SJLPKXTDSA-N 405.520 1.088 30 10 HDEE C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)N1CCN(CC(F)(F)CO)CC1 1460329700 YMFTXPPJKSWEEH-QMMMGPOBSA-N 417.325 1.954 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CCCN2C(=O)c3ccc(Br)cc3C2=O)CCO1 1463086199 CXQDCGPRQCTDCK-GOSISDBHSA-N 420.263 1.966 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@@H]1c1cccc(C)c1 1463163533 OIMLXIOUVSEIMY-MEZWHVQBSA-N 415.515 1.301 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 1463736958 GUOQQPIOCBCMAM-INIZCTEOSA-N 421.567 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CC2(COC2)[C@](F)(C(=O)NCCNc2ncccc2C#N)C1 1464507897 MDKRJPWVVNMOPV-HXUWFJFHSA-N 419.457 1.457 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1([C@H](O)c2ccccc2)CC1)c1cc[nH]n1 1466280920 UNMLNMNGCFTDHF-GOSISDBHSA-N 400.435 1.324 30 10 HDEE C[C@H](CC(=O)NCC(C)(C)c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 1468171322 BKCYALRUJWEONA-CQSZACIVSA-N 400.504 1.993 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 1468714562 CYLKWXZYPXBVHJ-OAHLLOKOSA-N 409.412 1.989 30 10 HDEE C=C[C@@H](COC)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1469894037 DYSBERRMCVBERP-IBGZPJMESA-N 402.539 1.858 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOC)C1 1471336646 LQMZEILXDBSITB-ZWKOTPCHSA-N 408.543 1.751 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)cc1 1472142851 YVWSBKPVQPCYQQ-UHFFFAOYSA-N 407.492 1.385 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1 1472490193 DJWIBOFODGYGEA-UHFFFAOYSA-N 413.518 1.756 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ncnc3c(Cl)cc([N+](=O)[O-])cc23)CC1 1472688110 PYXPYFBQSCUFDJ-UHFFFAOYSA-N 402.842 1.453 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)c(=O)n1CCO 1473078879 MYQQKPFPRJMCRU-GFCCVEGCSA-N 404.854 1.055 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)Cc1cc(C#N)cs1 1473836204 AKGPDHQDPJGSKQ-UHFFFAOYSA-N 418.544 1.585 30 10 HDEE N#C[C@]12CN(CC(=O)NCc3ccccc3OC3CCCC3)C[C@H]1CS(=O)(=O)C2 1473850243 KVMMOKBXDIWOEJ-LAUBAEHRSA-N 417.531 1.494 30 10 HDEE C#CC[C@H](NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1)C(=O)OC 1475378365 NEZWOFBRWUTSPV-CVEARBPZSA-N 412.895 1.429 30 10 HDEE C#C[C@@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)C1CCOCC1 1476192272 UGZKDEYGZWYELN-MRXNPFEDSA-N 402.476 1.826 30 10 HDEE COc1ccc2c(c1)CCC[C@H]2CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1478383045 ZCCOWVIRZJRLDV-TWOQFEAHSA-N 403.504 1.695 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCS1 1494254846 YCFBSQBDTITMTG-CQSZACIVSA-N 420.564 1.698 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccccc2F)CCOC1 1502727950 FCQJXERRCVOCOH-UZLBHIALSA-N 401.442 1.846 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ncnn1C(C)(C)C 1507672534 BHEFSPUZONXIEZ-UHFFFAOYSA-N 408.510 1.258 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCOC1CCOCC1 1507770806 QGVDTZPOFFQDRL-JOCHJYFZSA-N 415.538 1.978 30 10 HDEE C=CC1CCN(c2nnc(Cc3csc(C)n3)n2CCNS(=O)(=O)CC)CC1 1507904075 JYKXCJXNEKWNPN-UHFFFAOYSA-N 424.596 1.976 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1507941742 JNJTWUMXGFZDFT-NRFANRHFSA-N 421.509 1.849 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1507970906 NDCHIBMEIFVTIT-UHFFFAOYSA-N 405.528 1.257 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1508013350 NBTXQINNRWEXHO-HXUWFJFHSA-N 418.519 1.682 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1508076593 HVCYJJYUPNOKOA-AOMKIAJQSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C)C(=O)[C@H]1C 1508081724 NKIQOGVCUOFALF-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCn2ccnn2)CCOC1 1508410631 FRRZRVLDGGNNOW-APWZRJJASA-N 402.503 1.596 30 10 HDEE COCCOC1(Cn2c(-c3cnn(C)c3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1519343572 DYZGEYLEKMORBN-INIZCTEOSA-N 417.514 1.629 30 10 HDEE C#CCN(C(=O)[C@@H]1CCOc2ccc(Br)cc21)[C@H]1CCS(=O)(=O)C1 1520934850 FVWPLMJTNDRXBQ-UONOGXRCSA-N 412.305 1.964 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2nnnc2-c2ccccc2)cc1 1534003081 MZQSRGMQRVOPAU-UHFFFAOYSA-N 412.475 1.785 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCCN1CCOCC1 1538975848 FBPDRFODQKKJCP-RXVVDRJESA-N 405.543 1.501 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1539119517 KMIKKJWSVWKQJM-MRXNPFEDSA-N 409.556 1.494 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1539215529 DXMQHVJBRQZFDD-OAHLLOKOSA-N 405.524 1.715 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1conc1COC 1539290419 HNFSMEDAROLBQP-UHFFFAOYSA-N 419.445 1.571 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)cnc21 1539386718 RDOOIAAKCCRJCH-GOSISDBHSA-N 408.437 1.632 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1539417936 ZYOPLPCERJIWRE-INIZCTEOSA-N 417.476 1.826 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CCC(=O)N(C)C)CC1 1539443972 CYFMUBFWCATAEU-UHFFFAOYSA-N 419.533 1.670 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccoc2)CC1 1539466766 GISZZQSHUYASIW-UHFFFAOYSA-N 410.478 1.121 30 10 HDEE C#CCO[C@@H](C)C(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1539593657 BQQLRQKTOVEXQB-UONOGXRCSA-N 407.433 1.625 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1539821343 YHFCAXGHXXKIDF-WMLDXEAASA-N 418.947 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCSCC1 1540864770 KEACHUYLCNXQBZ-UHFFFAOYSA-N 421.548 1.204 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(C)=O)C[C@H]1C 1540868004 OSISAFUQPVRNBB-CQSZACIVSA-N 416.913 1.958 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1540875472 NFPHMOCLGCYLLN-HNNXBMFYSA-N 403.487 1.267 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1544078140 CMRIMHVYZONVHR-IBGZPJMESA-N 401.532 1.768 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc2ccn(CCOC)c2c1)c1cc[nH]n1 1546192291 MVCXEWGFEMBYLC-UHFFFAOYSA-N 413.434 1.933 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2cc[nH]n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367744 KSYAUBUIXNKCNU-OAHLLOKOSA-N 406.368 1.377 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCN(C)C)C1 1554528942 VOCVEZZXLZUNJU-GOSISDBHSA-N 412.494 1.394 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1555190903 DEKLWHTZWQMBKE-RVKKMQEKSA-N 401.442 1.864 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCCN2CCOCC2)cc1 1555990429 HNRORNWRJWRJPP-UHFFFAOYSA-N 412.494 1.288 30 10 HDEE CCC1(N2CCC2)CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 1558408074 UHQNOSIOQXRYLZ-UHFFFAOYSA-N 418.563 1.982 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2cc(F)cc(F)c2C1 1558857919 MFVHHWYVZDTXKL-UHFFFAOYSA-N 405.426 1.978 30 10 HDEE CCN(CCC#N)C(=O)CN1CCc2nc[nH]c2[C@]12CCN(C(=O)OC(C)(C)C)C2 1560025316 IMNOOJDCJXJPOV-OAQYLSRUSA-N 416.526 1.866 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C(=O)NCCn3cnc(C#N)n3)C2)O1 1564723714 FQPBHZAPKQHYBX-DYESRHJHSA-N 409.494 1.225 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1569207738 RPUMKFPBRBPEGK-DGXTUMSLSA-N 414.524 1.116 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1sccc1S(=O)(=O)NCc1cccs1 1569560903 NDNHRMOWWNKEDF-JTQLQIEISA-N 401.491 1.008 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1586159568 YHUPVTNTNNHICH-IBGZPJMESA-N 408.476 1.558 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1587878966 LXOUFHPBISCGCE-GOSISDBHSA-N 414.554 1.503 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC1(O)CC(OCC)C1 1588016502 RIPHABFQRIMNCX-UHFFFAOYSA-N 400.479 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCO[C@@H]1CCOC1 1588154461 CTZOJBLGVILGQQ-HXUWFJFHSA-N 418.501 1.785 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588856773 BIKSWZVJFNSZJW-HYBUGGRVSA-N 423.561 1.749 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(F)F)C1 1588984487 HYANTGDVUKNEEF-OLZOCXBDSA-N 421.539 1.736 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1594669505 YINKYOKJLSASHB-CQSZACIVSA-N 404.496 1.515 30 10 HDEE O=C(C#Cc1cccs1)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1596291006 PFFZXBMZNGEDCU-INIZCTEOSA-N 404.513 1.873 30 10 HDEE CC(C)(C)NC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1596574967 WLGAASXROXXMSN-UHFFFAOYSA-N 424.498 1.825 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)C(C)C)CCOC1 1596790501 NKQOYTRCMMBAGU-OXJNMPFZSA-N 406.531 1.687 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1596978642 RHJXUPXILGNFGJ-IAGOWNOFSA-N 415.494 1.992 30 10 HDEE C#CCOCCN(C)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 1608104530 NMXLRLVEFQJYGR-UHFFFAOYSA-N 403.298 1.226 30 10 HDEE CCOC(=O)N1CCC[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1611649100 VWJKHWVCFNOBJJ-CQSZACIVSA-N 403.435 1.759 30 10 HDEE CCn1cccc(Cn2c(Cc3ccncc3)nnc2N2CC[C@@](F)(C#N)C2)c1=O 1615731024 CSBIETDHNNGTNS-OAQYLSRUSA-N 407.453 1.936 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)CC1 1615889016 QNPUHMPJRUACBP-ROUUACIJSA-N 416.574 1.243 30 10 HDEE C=CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@H](C)COC 1617419512 CDWRZCFLBPSERY-OAHLLOKOSA-N 405.520 1.897 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc4c(s3)CCC4)CC2)C1=O 1618253210 QPYIRGOFWASHFX-UHFFFAOYSA-N 416.503 1.390 30 10 HDEE COC[C@H](F)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1619610605 VFYQFBWBJGSIJX-NVXWUHKLSA-N 416.457 1.861 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1621614168 MOJSBXFEQWZFIG-UHFFFAOYSA-N 423.516 1.358 30 10 HDEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1cc2c(cc1OC)CCCNC2=O 1622003269 DIUQXPQPSFGSEC-UHFFFAOYSA-N 404.410 1.948 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1624033515 OXRYSNFUSJMOHP-UHFFFAOYSA-N 409.442 1.936 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1 1626286034 CTIWGDLRZAOBRP-SJORKVTESA-N 402.476 1.243 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)s1 1626827071 WQHCJLHSIJGEAG-UHFFFAOYSA-N 405.501 1.695 30 10 HDEE CN1CCN(C(=O)N2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 1627214177 DJWUJGWPVCXAEE-HXUWFJFHSA-N 410.522 1.039 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC(n2cc(C(N)=O)nn2)CC1 1629474563 BNVKMDLNZQCYKQ-UHFFFAOYSA-N 417.267 1.417 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 1631838246 ICLXYQMOUQTGCE-HXUWFJFHSA-N 420.517 1.883 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@H]2c2ncc(Br)cn2)c(=O)nc1O 1635473693 BYSYDVMEROCXFR-LBPRGKRZSA-N 419.239 1.127 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3cc(OC)c(OC)cc3c2)CC1 1636480062 KJXZPPGJBRIFHP-UHFFFAOYSA-N 417.487 1.082 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(Cl)cccc3nc2C)CC1 1636480346 NSQLTNWXPDZYOM-UHFFFAOYSA-N 406.895 1.422 30 10 HDEE CCS(=O)(=O)CCCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1639180544 NLSLVYBQMDVYRU-UHFFFAOYSA-N 414.325 1.698 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC(c3ccc4cccnc4n3)CC2)c(=O)nc1O 1639509384 BUPXDSSJWXJCAQ-UHFFFAOYSA-N 404.430 1.560 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 1643619281 XQWKNTVYUKNRSB-KRWDZBQOSA-N 420.554 1.626 30 10 HDEE Cc1cccc(O[C@H](C)C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c1 1644608929 DBAWGPBYTBUWTE-UXHICEINSA-N 415.534 1.978 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H]3C(=O)NCC3(CC)CC)ccc2c1=O 1645385274 OKATXDMXNHPMIH-HNNXBMFYSA-N 400.504 1.906 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)C1CCN(C)CC1 1646421647 OJDOEJDQTPXNRC-SFHVURJKSA-N 407.518 1.971 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1648126448 KUJLTRBBJVSFJT-CQSZACIVSA-N 417.325 1.662 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@H](O)c2c(C)nn(C)c2C)CCCN1C(=O)OC(C)(C)C 1648764215 XDNQPVMRRZWINO-IIBYNOLFSA-N 404.511 1.980 30 10 HDEE CCCn1c(CCC(=O)N2CCC[C@H](C#N)C2)nc2cc(S(N)(=O)=O)ccc21 1649030822 CLENUQIWOJKAEZ-CQSZACIVSA-N 403.508 1.788 30 10 HDEE Cc1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)ncc1C#N 1650625414 SSWIWUCYXOYUGA-UHFFFAOYSA-N 401.448 1.900 30 10 HDEE CC(C)N(CCCNC(=O)COc1nc(C(C)(C)C)ccc1C#N)S(C)(=O)=O 1652909779 YXKMRNXASKGRJD-UHFFFAOYSA-N 410.540 1.806 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1 1655372232 JCFLKOGRKGMFCF-SFHVURJKSA-N 424.519 1.754 30 10 HDEE CCC1(N2CCC2)CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 1655622515 PTZFFYMPLZOXAZ-UHFFFAOYSA-N 400.527 1.454 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1655692968 XLMRTTUBCJAITG-AZUAARDMSA-N 415.513 1.429 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)N(CCC#N)c1ccc(Cl)c(C)c1 1660499333 KPRKUIMZDHENKL-INIZCTEOSA-N 406.870 1.211 30 10 HDEE CN(C[C@H](O)CN(C)S(=O)(=O)c1cccc(F)c1C#N)C(=O)OC(C)(C)C 1663658510 SEEVQGJDFXPHQK-LBPRGKRZSA-N 401.460 1.546 30 10 HDEE Cc1noc(C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccccc2)n1 1681328988 BUKLYRHDQQAJOC-FRQCXROJSA-N 415.475 1.242 30 10 HDEE N#Cc1cn(CCNC(=O)NC[C@H](Cc2ccccc2)c2ccccn2)c(=O)nc1O 1685791404 BTOFPDCHWNNEOS-KRWDZBQOSA-N 418.457 1.541 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1690041852 LLBGQJJWOUDYMS-UHFFFAOYSA-N 422.508 1.711 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC2(C)COC2)CC1 1690146850 ZFNUILAUKXBHNN-KRWDZBQOSA-N 401.511 1.174 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1690174438 DEIYMSQSGUQWPT-UHFFFAOYSA-N 418.611 1.634 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC#C)CC1 1690179118 NISCRSSCIKCZCY-UHFFFAOYSA-N 419.558 1.638 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CCOC)c2)C1 1690700641 VPPRQXIAIPDEMZ-RTBURBONSA-N 416.526 1.845 30 10 HDEE Cc1csc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)n1 1693329966 ARUFCGSHHMWHNG-BLLLJJGKSA-N 410.500 1.435 30 10 HDEE COC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1697091857 YSJHEWFTQVLMRV-OAHLLOKOSA-N 411.466 1.189 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1Cc1nnc2n1CCC2 1698063396 XUUGENRVSVLQTH-UHFFFAOYSA-N 412.523 1.883 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CCC(N)=O)CC3)n2CCn2cncn2)c1 1698483965 BZMAGECQZXZDDI-UHFFFAOYSA-N 419.493 1.590 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705538545 SKICMLYZHUEXIS-HDICACEKSA-N 402.543 1.359 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1705568981 BPQAFDHWBMXSDH-QGZVFWFLSA-N 402.524 1.144 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccccc1 1705572607 ICUIWGZVCYFDSU-HSZRJFAPSA-N 414.469 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCO[C@@H]1CCOC1 1705578277 MNZGKWOASUYSEQ-GOSISDBHSA-N 408.458 1.942 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(C)COCCO1 1705631008 OCFSNHRHTNEHLH-OAQYLSRUSA-N 418.469 1.888 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OC)c2OC)CC1 1705639328 LYVBFNSJEAJHKZ-GOSISDBHSA-N 411.506 1.603 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1705679338 JYYRNVMBDODJPB-CYBMUJFWSA-N 423.319 1.758 30 10 HDEE C=C(C)COCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705740885 ZNODIDZZTQNHSZ-XGHQBKJUSA-N 419.526 1.238 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cnn(C)c2)CC1 1705744446 DDLDYMDAAFYEHU-UHFFFAOYSA-N 404.906 1.327 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1705819079 CPMNUPVZZUSPFT-IAGOWNOFSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1705903634 ZDSFJECOJNQNGQ-FGTMMUONSA-N 420.558 1.367 30 10 HDEE Cn1cc(Nc2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)cn1 1711256678 CEWIFMKDWJTTJR-UHFFFAOYSA-N 400.468 1.233 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1712585857 LRUXLNUGOYGLHK-SFHVURJKSA-N 422.493 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1712625696 AUNDATIVJJCBOU-HKUYNNGSSA-N 422.493 1.687 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@](C)(O)C(C)C)CC1 1722432021 VJZLJDJGLIABQQ-FCHUYYIVSA-N 419.570 1.481 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3F)n2Cc2nncn2C)CC1 1722444747 FGLZSIXFHNYCJI-UHFFFAOYSA-N 422.468 1.227 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCS(C)(=O)=O 1722505206 IZPNKBODQIBWOX-GDBMZVCRSA-N 408.528 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C(=O)c2ccco2)CC1 1722726146 XBRUOUWLRCIQBV-UHFFFAOYSA-N 421.523 1.558 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CC[C@H]1C2 1722736969 ONKUPGRGSHKDBB-QAETUUGQSA-N 410.540 1.592 30 10 HDEE CC[C@@H](C)c1nnc(N2C[C@H](C)O[C@H](C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727047795 OYAYFLYOFQWBOB-GFMLWQLBSA-N 402.499 1.932 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(F)(F)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1731178620 CZAHVTMQRDZMCY-AWEZNQCLSA-N 415.404 1.650 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@@H]2CCOC2)c1 1731180296 GXRYGFVMMJZDDS-ICSRJNTNSA-N 422.489 1.989 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)C1CC1 1740540466 WAGKUWQNDSFUIX-JLTOFOAXSA-N 402.520 1.968 30 10 HDEE C#CCN(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1740602603 XJZVCNKZZWXDMA-SFHVURJKSA-N 417.473 1.859 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)Cc1ccccc1 1740612436 RYUUTNVJFPKRRK-UHFFFAOYSA-N 409.515 1.948 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCCN(C)CC(F)(F)F 1740644660 OMHWJWAYGNUZPL-UHFFFAOYSA-N 412.460 1.763 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)ccc1OC 1740683815 GGOXWVYVISWSKW-QGZVFWFLSA-N 413.478 1.381 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCCCCSC)CC1 1740699193 XQDIAHWGDYOZIH-UHFFFAOYSA-N 404.584 1.689 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740864098 JNBNNYHOZZXMEP-RTBURBONSA-N 416.570 1.881 30 10 HDEE C=CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNS(=O)(=O)CC 1740897141 WGVGVSOPXWBAJH-UHFFFAOYSA-N 402.524 1.998 30 10 HDEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1741751579 YNUWILRFHQYMHU-CZUORRHYSA-N 402.496 1.145 30 10 HDEE Cc1cccc(-c2nnc(N(C)CCN3CCOCC3)n2Cc2ccc(C#N)o2)n1 1742317098 CIRYQVNCKCLNDP-UHFFFAOYSA-N 407.478 1.930 30 10 HDEE CCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)cs1 1744488014 GUOJBWFRNKADNA-CQSZACIVSA-N 424.490 1.721 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1745664631 TVWQUPAVXDWKHY-UHFFFAOYSA-N 421.505 1.498 30 10 HDEE CCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1746449097 RJTKEFVBFPTGLQ-ZJYNUGOYSA-N 413.526 1.602 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(COC(C)(C)C)on1 1748844440 RUBFBQQXOWDZGO-QGZVFWFLSA-N 410.478 1.653 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C(C)C)C(C)C 1748891756 FKGOLZVKNYLXJU-LJQANCHMSA-N 419.595 1.762 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOCc2ccccc2)CC1 1748986732 IRAZCUQFDWDSHM-UHFFFAOYSA-N 405.506 1.651 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCc2c[nH]nc2C)CC1 1748993303 UPILYVKEWCFWIY-UHFFFAOYSA-N 404.522 1.683 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749037921 KAKSTZBVNNDJLG-OAHLLOKOSA-N 404.540 1.316 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CC[C@@H]1COCCO1 1749051987 UIZQLGNKUBUSBI-DYESRHJHSA-N 403.527 1.994 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1749154108 MAOOFTYLDLYSCH-ROUUACIJSA-N 404.559 1.988 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1749218831 YTZIWKWEMULWMH-UHFFFAOYSA-N 409.494 1.871 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nnc2n1CCCCC2 1749465481 UATQIGHITKHOPI-CQSZACIVSA-N 422.559 1.071 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1749595960 PLDKDQPFJZUDRC-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(CC)Cc1cnn(C)c1 1749659454 CSNSTOJBVZIWSN-UHFFFAOYSA-N 404.478 1.879 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCC[C@H](OC)C1 1749681055 WDHBOFVFEPMCQF-SFHVURJKSA-N 415.494 1.783 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2nccs2)cc1 1750383764 BOUHQPVHKYKELK-AWEZNQCLSA-N 409.475 1.545 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)c1nccs1 1760210209 OFEPXCPDXRNHHW-LSDHHAIUSA-N 420.564 1.611 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760391530 GUDGECITXPUHNF-SFHVURJKSA-N 400.527 1.815 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](CCC)C1 1760519895 SXVICXXJVTVHLB-MRXNPFEDSA-N 413.478 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC)C1 1760555378 DWJNTXICBXZEBH-SJORKVTESA-N 412.556 1.778 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)CC2)COCCO1 1761569375 KZNJPZPMHVLMGG-IBGZPJMESA-N 401.492 1.191 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@H](C)C3)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762436171 DLZQNEQMYBMMSZ-SXZOAGKDSA-N 424.509 1.512 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)C1CC1 1767061657 BTXFHNPUDKJDFF-UHFFFAOYSA-N 404.478 1.713 30 10 HDEE CCOCc1nnc(N(C)OC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1767784322 BFUQROSDPBJVCU-ISLYRVAYSA-N 404.471 1.651 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)ON2C(=O)c3ccccc3C2=O)c1 1772787672 ABKDODDNULFFHN-UHFFFAOYSA-N 406.391 1.880 30 10 HDEE Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c12 1851107656 HNGATGQLTLLKFP-UHFFFAOYSA-N 402.462 1.778 30 10 HDEE COc1ccc(-n2cc(CN3CCN(C(=O)c4cc(C#N)c[nH]4)CC3)nn2)cc1F 1852144925 KOGNQMZELPZEGA-UHFFFAOYSA-N 409.425 1.573 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(C2CCOCC2)C1 1852496664 FYYLYBLQUJNAGH-CHWSQXEVSA-N 405.886 1.648 30 10 HDEE C[C@H]1COCCN1C(=O)[C@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1852539639 DOSYYGDZZIVQTE-JXFKEZNVSA-N 413.499 1.695 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)[C@@H]3CCCN3c3ccccn3)CC2)nc1 1853113227 YUSNCHXCEKUCJI-IBGZPJMESA-N 406.490 1.682 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cn(-c4ccc(C)c(C)c4)nn3)C(=O)C2)C1 1853632929 PTHAAKNWPQOYEU-IBGZPJMESA-N 408.506 1.429 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC[C@H]3Cn3ccnn3)CCC2=O)cc1 1854191197 VLYIYQQIXRYUAK-PMACEKPBSA-N 406.490 1.622 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H](F)CC2CCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638769 TYAJRQIRVPUITD-DYVFJYSZSA-N 407.467 1.835 30 10 HDEE Cc1ncccc1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854843642 ZDMJRVYYCYHKHB-FQEVSTJZSA-N 403.486 1.821 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(Cc3nc(CC)no3)c3ccccc32)CC1=O 1855775468 QYFOHUUTQRHQFW-CQSZACIVSA-N 409.446 1.546 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(c4nccn4C)CC3)C2=O)CC1=O 1855779154 TZLYQLPOHCGKCK-QZTJIDSGSA-N 413.522 1.152 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(CCn3nccn3)c3ccccc32)CC1=O 1855819636 TXQWQVOEZCDDOC-MRXNPFEDSA-N 408.462 1.083 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)CCC(F)(F)F)C2=O)CC1 1856126491 MICCTFLMLDVZGO-HNNXBMFYSA-N 409.412 1.935 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCCC[C@H](N(C)CCC#N)C3=O)CC2=O)cc1 1856451655 LIBTZMJBGFHMTM-APWZRJJASA-N 412.490 1.801 30 10 HDEE C[C@H](C(=O)N1CC[C@@H](N(C)CCC#N)C1=O)n1nc(-c2ccc(F)cc2)ccc1=O 1856488583 IWPGHSNMQVZQLQ-RDTXWAMCSA-N 411.437 1.583 30 10 HDEE Cc1csc(CN2CCN([C@@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)n1 1856592305 IZVXRGANOWZWEO-LJQANCHMSA-N 423.542 1.811 30 10 HDEE C=C[C@H]1CCCCN1C[C@H]1CC(=O)N(C(=O)C2CN(C(=O)c3cc(C)on3)C2)C1 1856999237 MWQMMOQONTXACD-WBVHZDCISA-N 400.479 1.471 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@H](F)C2CCCC2)C1=O 1857150990 LWZMWJVRAHCALL-IAGOWNOFSA-N 400.458 1.124 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2=O)c1 1857170141 ONTJCIXQOSQRTF-GOSISDBHSA-N 414.893 1.701 30 10 HDEE CO[C@@]1(C(F)(F)F)CCCN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857277569 CRHDUPQBWPVSJJ-UGSOOPFHSA-N 410.396 1.985 30 10 HDEE N#CCC1CCN([C@@H]2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)C2=O)CC1 1857351324 BXEMCUDSHBNGIT-QGZVFWFLSA-N 423.922 1.867 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccccn3)C2)CC1 1857381778 UGEDWDIEJDRYFP-KRWDZBQOSA-N 404.474 1.549 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1857491202 ZLGWPLWQPZTHFZ-OALUTQOASA-N 419.547 1.865 30 10 HDEE C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 1860616532 FUWNSGOLQYYCDK-UHFFFAOYSA-N 419.547 1.990 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2Cc2ccccc2F)cc1 1866911539 HKOGNLDAEFBCQR-WOJBJXKFSA-N 410.449 1.778 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1891363017 SHUXWDMDZFKTSY-CQSZACIVSA-N 404.404 1.712 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOC1 1964099482 NGQNIZDQMJFIDY-XMSQKQJNSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 1985201950 DWNOHBHGXDHIKS-GOSISDBHSA-N 414.506 1.452 30 10 HDEE C[C@@H](C#N)CN(C1CC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2050656158 SCIBRGYPRKPUHQ-DJJJIMSYSA-N 407.467 1.965 30 10 HDEE CN(C[C@H]1COCCN1C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C#N)s1 2118171353 QYCWQLIKKKTQCK-LBPRGKRZSA-N 401.510 1.876 30 10 HDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174782344 PMGFSBLWOMWKDR-RBSFLKMASA-N 402.517 1.081 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N(C)CCN1CCN(C(=O)OC(C)(C)C)CC1 2174783351 BFSSLOLVQAABTG-MRXNPFEDSA-N 402.561 1.596 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)CN(C(=O)OC(C)(C)C)C1 2174786418 JQRXDEDHIIXXDC-CABCVRRESA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CCNS(=O)(=O)N2CCC(C#N)CC2)C1 2181215370 NSDBTJAPDOFWAZ-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(C#N)cc1N 2205584271 IIFWVHZXGONHQD-KGLIPLIRSA-N 412.537 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](CNC(=O)C2(B3OC(C)(C)C(C)(C)O3)CC2)C1 2243389560 VIQIUASRQKKVTQ-KGLIPLIRSA-N 410.320 1.957 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390611 YBQCEWINHYRKOK-CHWSQXEVSA-N 404.276 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)(C(=O)O)C1 2243394985 PLNZJDUVJVUYNQ-NWDGAFQWSA-N 410.276 1.659 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243483019 LIHQNLLVYPKARD-CQSZACIVSA-N 407.320 1.866 30 10 HDEE Cn1cc(C(=O)NCCCONC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247836457 CHYMWMGCZXGQBD-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)nn1 2251310167 GEMJVSASLLRICZ-CMDGGOBGSA-N 421.307 1.607 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2258184529 JZISXULLMDEEKY-IRXDYDNUSA-N 408.476 1.335 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H](CN)C(F)(F)F)c2)OC1(C)C 2267370188 ICYYQLVXPFCKGW-SECBINFHSA-N 400.253 1.215 30 10 HDEE CN(C)C[C@@](C)(O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939256 WJOYWYURVWQYEC-KRWDZBQOSA-N 402.753 1.743 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](C)[S@@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282316873 IZPINFYSWBVECD-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282331151 KBTYHAPKUQEBLQ-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)CNCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282332329 ZHHPGHXUAXBJEJ-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC[C@@H](O)CN(C1CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335125 LEGCWWIIRYUKQX-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282344590 WCLLYSGFIXZKNS-ZJWNCGCPSA-N 401.359 1.421 30 10 HDEE C=C(CS(=O)(=O)N=[S@](C)(=O)C[C@@H](N)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282418887 LIWYHHNEZGITIR-YMXBGEKHSA-N 408.395 1.975 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(CC1)OCCO2 2282576014 LIVAQJVFIWKOOJ-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)OC 2282841069 RPPNONMNAKOIPQ-NSHDSACASA-N 403.331 1.586 30 10 HDEE CCC(CC)(CN)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844470 DJWSOVNFTUCUQW-UHFFFAOYSA-N 402.391 1.984 30 10 HDEE CC(C)[C@H](C)[C@@H](N)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854739 VKTAHQDRYXBNOP-JSGCOSHPSA-N 402.391 1.945 30 10 HDEE C[C@H](O)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2282854873 WZPQHFWIEYWOKY-GZMMTYOYSA-N 415.264 1.637 30 10 HDEE CCC[C@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284399834 OVVAXVLZYBZKNU-LLVKDONJSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](C(=O)O)C2CCC2)OC1(C)C 2284404844 ZZZKKMQPZCBEKR-ZDUSSCGKSA-N 401.315 1.579 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2365201611 AVLBCHUHDICABJ-KXBFYZLASA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CC2 2365211574 MPMKMZSLWSYJLG-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1(C)C 2367806018 HERVINBICXLQLV-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)N1CCN(c3cc(C#N)ccn3)CC1)C2=O 43482752 QPVVCMIUOBCSDD-UHFFFAOYSA-N 410.478 1.103 30 10 HDEE Cc1nn(C(C)C)c(C)c1S(=O)(=O)N1CCC[C@H](Oc2nccnc2C#N)C1 238873401 NLJQHLZFFSZXEG-HNNXBMFYSA-N 404.496 1.975 30 10 HDEE C[C@H](O)[C@]1(C(=O)O)N[C@H](c2ccc(C#N)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 253382822 JJSXEOJUNBHJSW-JVKFRVBUSA-N 419.437 1.208 30 10 HDEE COc1ccc(CN2CCCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1 301173154 HECXFHNOGMEVKU-UHFFFAOYSA-N 400.504 1.927 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)cc21 426925407 SULDASURCHSPPV-UHFFFAOYSA-N 415.453 1.697 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(OCC(=O)N3CCC[C@@H](NC(C)=O)C3)c2c1 428284116 JOIQWZDNXAKNIB-OAHLLOKOSA-N 412.446 1.630 30 10 HDEE CCC(=O)NCc1cc(S(=O)(=O)NCCOc2ccc(C#N)cc2)ccc1OC 443764128 KOXMWWTXRXEGEH-UHFFFAOYSA-N 417.487 1.950 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446630313 YHRRHQOOGCOYOD-OOHWJJMZSA-N 406.508 1.719 30 10 HDEE CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2ccnn2-c2ccccc2)c1=O 447786899 OFYBKCJMAHTAOT-UHFFFAOYSA-N 421.526 1.391 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474354321 JPVFVYJHLYUETH-NVXWUHKLSA-N 411.527 1.911 30 10 HDEE CS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)Cc2ccccc21 479427007 ROSLRDHGUUIFJI-UHFFFAOYSA-N 409.464 1.668 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CCc4nc[nH]c4C3)CC2)cc1 492691109 JYVWHLFKQWZOQQ-MRXNPFEDSA-N 413.503 1.356 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(N3CCC(C)(C#N)CC3)c([N+](=O)[O-])c2)CC1 503305070 YCBPXLRXVWLECW-UHFFFAOYSA-N 407.496 1.661 30 10 HDEE C=CCn1c(-c2ccccc2F)nnc1S(=O)(=O)C[C@@H](C)CS(C)(=O)=O 506962483 MUNFPXMYKZONOV-LBPRGKRZSA-N 401.485 1.725 30 10 HDEE C=CCn1c(-c2cccn2C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 508461338 LEMSRTQCUKAYAK-LJQANCHMSA-N 413.570 1.701 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CNc2ccn(-c3cccc(F)c3C#N)n2)C1 510110668 VZFLJVDZYHKXRN-MRXNPFEDSA-N 414.485 1.768 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 511362498 LCOSZJCELSLKIB-UYAOXDASSA-N 400.523 1.784 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 512888102 FLEKQNNGTMYMQT-LJQANCHMSA-N 404.474 1.980 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(OCC(N)=O)c(OC)c3)cc2C1=O 515571688 DOWQKEJFDYRXDT-UHFFFAOYSA-N 423.425 1.271 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2CCOC[C@H]2C1 519656174 WKLBCSKPWRZHPM-QGZVFWFLSA-N 417.535 1.446 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCCCO1 535333865 ZLMDFHMXILCDSI-QGZVFWFLSA-N 423.494 1.816 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 541096955 DQXMOQMCUDDURV-GFCCVEGCSA-N 408.871 1.553 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 549250031 PAFDBBPDXYVWOJ-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccccn1 549255153 BYMGKCFEDRJRCC-MRXNPFEDSA-N 406.512 1.219 30 10 HDEE COc1cc(=NC(=O)N=c2[nH]nc(SCc3ccc(C#N)cc3)s2)[nH]n1C 577698504 VYLDJYSXCIVHNL-UHFFFAOYSA-N 401.477 1.932 30 10 HDEE CN1CCCC[C@H]1CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 582804326 WSIHSZIGODLULP-SFHVURJKSA-N 404.536 1.656 30 10 HDEE COc1ccc(N2CCCC2=O)cc1S(=O)(=O)N(CC#N)Cc1ccccn1 586152595 UCMAPXPNWKJSIF-UHFFFAOYSA-N 400.460 1.931 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1-c1ccccc1C#N 604000109 NBWYRDGIQJUAKJ-UHFFFAOYSA-N 400.463 1.328 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)c(F)c1 609256973 NYUZXDQNYKODNT-UHFFFAOYSA-N 408.389 1.601 30 10 HDEE Cc1c(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cccc1S(N)(=O)=O 611080461 PXDIUBFPKDYEMN-SFHVURJKSA-N 416.478 1.804 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C[C@H]3CCOC3)c2=O)c1 676727011 MRFBKNDTAFYDMS-MRXNPFEDSA-N 424.522 1.827 30 10 HDEE Cc1ccc(S(=O)(=O)NCCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1C 732664009 AURRPHRZWLHVRF-GOSISDBHSA-N 404.536 1.561 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)n1 740085891 TYPWFSRHEDCFDW-YOGCLGLASA-N 419.532 1.980 30 10 HDEE Cc1cc(C#N)ccc1C(=O)NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2 748906049 OAFRQUSLLLDDBW-UHFFFAOYSA-N 405.819 1.970 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCc2cc(=O)c(O)cn2C)nnc1-c1ccco1 752058992 SSCUAIOCWWBSIW-UHFFFAOYSA-N 415.475 1.927 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 758757861 HOLOHIWKOZZSSY-ZBFHGGJFSA-N 418.473 1.811 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCOC)c2=O)n1 763298667 BNQSTUAXUHPDPT-UHFFFAOYSA-N 413.499 1.222 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnnn3CC3CCOCC3)cc2C1=O 768356393 CQBVUOAAKLKIHK-UHFFFAOYSA-N 411.418 1.239 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2nccn3c(Br)cnc23)cc1 770091224 JVHNTZGKLPHAES-UHFFFAOYSA-N 420.248 1.623 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@H](C#N)C(=O)c2nccn2C)C1=O 771636008 HQGNBBPTALDFAT-YEJXKQKISA-N 423.429 1.096 30 10 HDEE Cn1c(=C(C#N)C#N)sc(=Cc2nc3ccc(Br)cc3s2)c1=O 772277737 QVWQMXKIKXWTFX-UHFFFAOYSA-N 403.286 1.846 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NS(=O)(=O)c1cc(C#N)ccc1C 774092924 JSBUXJHEOLIYTJ-CQSZACIVSA-N 411.480 1.601 30 10 HDEE COCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781653856 PPBHKXGDCXDQCW-UHFFFAOYSA-N 415.515 1.305 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)cc1C#N 786121011 GEFDMBFHJVZAKF-UHFFFAOYSA-N 410.430 1.197 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)c(F)c2)n1 788693989 LGAFEVYHIRDTIE-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)N2CCOCC2)CCCN1C(=O)OC(C)(C)C 791819624 FBOCTZVLRHHQDV-QGZVFWFLSA-N 403.501 1.025 30 10 HDEE N#Cc1cc(C(=O)Nc2ccc(N3CCN(S(=O)(=O)C(F)F)CC3)cc2)ccn1 793560415 JANSRRPOMLMVQC-UHFFFAOYSA-N 421.429 1.880 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)[C@@H]1c1cncn1C 796087869 KMBQSYOOXKKZPE-IIDMSEBBSA-N 415.494 1.604 30 10 HDEE C[C@@H](C(=O)Oc1cc([N+](=O)[O-])ccc1I)n1cnc(C#N)n1 798502430 OXEZFYADIQXMFZ-ZETCQYMHSA-N 413.131 1.829 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(F)cc1 812754133 YAPVXCHOLRMLLJ-MRXNPFEDSA-N 407.492 1.996 30 10 HDEE C[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1C(=O)c2ccccc2C1=O 813516308 HRWBDFJIJKDBMZ-WWGRRREGSA-N 412.446 1.546 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129022064 ZRSNACXLFZMOIU-KDOFPFPSSA-N 401.529 1.223 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)C2=O)cc1 1139811906 YKVVLHZGXXSHAO-CHWSQXEVSA-N 404.681 1.897 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCNc2ccc(C#N)cn2)C1 1141486830 DVFPDPPLTZXYFK-YWZLYKJASA-N 403.483 1.896 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1153262136 HQVZHWAMFAMJGR-INIZCTEOSA-N 417.510 1.841 30 10 HDEE C[C@@]1(c2ccc3c(c2)OCCO3)NC(=O)N(CC(=O)Cc2ccc(C#N)cc2)C1=O 1164505521 WVULNORNWHCBQP-QFIPXVFZSA-N 405.410 1.908 30 10 HDEE CC#CC[C@H](CO)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1164673519 RGFGBEASPPDZJS-OAHLLOKOSA-N 406.280 1.411 30 10 HDEE CC[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](O)c1ccccc1 1177243521 AIKPARBSUZOFLO-QFBILLFUSA-N 401.488 1.744 30 10 HDEE CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1235264137 CKJVIYFEGBTRNT-QKNQBKEWSA-N 418.563 1.723 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCN(C(=O)c3cccc(S(C)(=O)=O)c3)CC2)CC1 1254925636 BPBVALNJTOJKMX-SAABIXHNSA-N 417.531 1.750 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NC2CCN(CC#N)CC2)C1 1265010712 NMBQNUJVBYTLCY-SIKLNZKXSA-N 414.506 1.907 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCCC1 1286349046 DDBGLVIGIKBBTL-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H](C)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286546044 FNSBTIDQHPPDSQ-HBFSDRIKSA-N 418.586 1.983 30 10 HDEE CC(C)C(=O)NCCCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1287128968 WRWMXVRXZIGPSG-UHFFFAOYSA-N 409.494 1.853 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1287276699 AKFJIJJVRQXCBH-SIKLNZKXSA-N 410.522 1.745 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1293228880 PNBLOLPTWATNNI-RBUKOAKNSA-N 424.505 1.727 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1295057332 KJGAZWPFQZYJAW-UHFFFAOYSA-N 407.478 1.106 30 10 HDEE CCN(CCC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1295796939 DADPSICBELKFQD-OSCRUYLVSA-N 414.510 1.935 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2c(CNC(=O)OC(C)(C)C)cnn2C)CC1 1297799966 APLVZCOCICLVNJ-UHFFFAOYSA-N 405.455 1.364 30 10 HDEE CN(CCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1298670342 BFAPBJUJHJFIAV-HZPDHXFCSA-N 420.514 1.768 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1300292843 LKABSBBPQPYSRF-MRXNPFEDSA-N 402.520 1.651 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1300363404 DWBBIWFZEFTXJD-MBOZVWFJSA-N 422.551 1.368 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCCC2)C1 1300380976 KWUQZFAMUWWHMC-SJORKVTESA-N 408.572 1.366 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCc2cccnc21 1300664988 GEBKXYIJPBHXFH-ROUUACIJSA-N 408.506 1.830 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(C(F)(F)F)n2)CC1 1300699726 GQTSBNGMFDGKIT-HNNXBMFYSA-N 420.439 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2cc(C)oc2C)CC1 1300699783 HUOYPMPALGLKKD-PGRDOPGGSA-N 413.522 1.655 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCN2CCN(C)C(C)(C)C2)CC1 1300701422 SJSSPPABBLJYQI-UHFFFAOYSA-N 401.603 1.258 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@@H]1C 1300733456 JWMLCPLIRJYJNE-IHRRRGAJSA-N 417.626 1.585 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300756828 UVRXKFYBLBVPCE-KRWDZBQOSA-N 414.535 1.356 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC(C)C)C1 1301017271 IDDFHWOCRNHNJB-UONOGXRCSA-N 421.951 1.271 30 10 HDEE C=CCn1c(N2CCCC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1301473601 FHSFODCKZTVNSU-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnc(C)s2)C1 1301558763 YFVTUTRWCDXGGB-HUUCEWRRSA-N 423.564 1.775 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)OC)cc1OCCOC)[C@@H]1CCS(=O)(=O)C1 1311108940 AQLLHUXVVVTOPM-OAHLLOKOSA-N 424.475 1.153 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@H]1CCN(Cc2ccccc2)C1 1312380578 GCFHEBCECPGGQO-WBKMXMRLSA-N 416.547 1.477 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2)cc1 1313106734 PFOSMDMYCCAWBB-JOCHJYFZSA-N 420.517 1.686 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCc2oncc2C1 1313496988 BOXZYRIIIRIWFC-UHFFFAOYSA-N 421.461 1.806 30 10 HDEE CCOCc1nnc(N2CCC[C@@H]2C(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1314371008 NATYYJNFJZWPNO-RAJOGRCSSA-N 402.499 1.966 30 10 HDEE COc1ccccc1-c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc(C#N)o1 1315610283 WTLPAYNJGVTGHT-UHFFFAOYSA-N 413.459 1.701 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCNS(C)(=O)=O 1358872355 SVRLYDAYNNYEIR-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1358890831 WBZMBAZQLJZIRN-OLZOCXBDSA-N 405.471 1.114 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1358951009 FKTNHUJBQUMVQE-UHFFFAOYSA-N 414.535 1.747 30 10 HDEE C#CCN(c1nnc(C)n1Cc1c(F)cc(F)c(F)c1F)[C@@H]1CCS(=O)(=O)C1 1358957332 SQZGFQOVSCGPRX-LLVKDONJSA-N 416.400 1.818 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1 1358969330 NEUMIYRWAONDCB-HNNXBMFYSA-N 403.483 1.457 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1358997009 AXODCTKWTFGWFX-SFYKDHMMSA-N 409.534 1.805 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1359025117 DIIUBTYAURFPTC-HNENSFHCSA-N 414.510 1.479 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2CCOC2)CC1 1359039917 AUFBSXWAUDEQOG-QYZOEREBSA-N 403.527 1.184 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1359056960 OTSFAIHPCOOJFP-FUHWJXTLSA-N 416.551 1.850 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1359215034 SLECSESMRLLCKZ-IAGOWNOFSA-N 415.542 1.778 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)N1CCOCC1)C1CC1 1359246542 DYYLUDYOYCEELA-OAQYLSRUSA-N 419.526 1.332 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1359302127 XJWJYGNJCKURRR-FQEVSTJZSA-N 400.458 1.012 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1359471960 CRRDUPRTDYXBDG-DOTOQJQBSA-N 408.510 1.869 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(OCC(N)=O)c2)C1 1360784517 GKKPPSCUCXSTPI-VGSWGCGISA-N 424.505 1.824 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C(=O)OC)c2ccsc2)s1 1448158728 FBODJDIVWJHJAD-HNNXBMFYSA-N 414.530 1.847 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C2CC2)C2(CO)CCOCC2)c1 1452551619 PBITZBWGNBUBRG-SFHVURJKSA-N 408.520 1.448 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)C(=O)OCC 1454708181 CPKKJTAAPKXFHC-CQSZACIVSA-N 424.853 1.824 30 10 HDEE Cc1nsc(N2CCN(C(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)CC2)c1C#N 1457838594 VIBRLZIXGIKTGU-GDBMZVCRSA-N 406.508 1.673 30 10 HDEE N#Cc1cccc2c1CN(C(=O)c1sccc1S(=O)(=O)N1CCOCC1)C2 1461269441 FGQMTUJRDLPPOL-UHFFFAOYSA-N 403.485 1.797 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 1463552461 LRFKDLXOGDQSGN-CYBMUJFWSA-N 415.309 1.320 30 10 HDEE CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 1464923347 INRQNDJRQUJBOS-FOCLMDBBSA-N 404.467 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)NCc2ccc(C(=O)NO)cc2)C1 1467530456 QCBJXKDEFHDJMI-MGPUTAFESA-N 407.467 1.884 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)CC1 1468537872 OEYWXMNVPZMYMJ-QGZVFWFLSA-N 418.523 1.055 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc(Br)cc(S(C)(=O)=O)c2F)CC1 1470367706 UOZXZWLASZJNDJ-UHFFFAOYSA-N 404.257 1.592 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1Cc1c(I)cnn1C 1473278824 MZBCVTSXONGIIH-LLVKDONJSA-N 423.262 1.397 30 10 HDEE C=CCN(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)[C@@H](C)COC 1477952571 HIUWLIXUAWKNLA-HNNXBMFYSA-N 403.545 1.192 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NC(C)C 1507606332 IPXBBVGHZZNXAD-UHFFFAOYSA-N 403.508 1.333 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1507634271 YGEUAOPBNLLOQY-VQIMIIECSA-N 424.592 1.430 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)c1cccc(O)c1 1507636789 DILILLGSOKPBCB-UHFFFAOYSA-N 422.489 1.015 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H](C2CC2)N(C)C)CC1 1507721477 SSBDBJGTFHMNIL-FQEVSTJZSA-N 423.521 1.949 30 10 HDEE C#CCN1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CCC)CC1 1507723529 LMKMZOJNELNCBX-UHFFFAOYSA-N 405.506 1.840 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1507735501 BCLGWAXIBPEFNJ-UHFFFAOYSA-N 408.506 1.302 30 10 HDEE C=C1CCN(c2nnc(COCC)n2CCNS(=O)(=O)c2ccccc2)CC1 1507891492 AZEPPJNIASRHNH-UHFFFAOYSA-N 405.524 1.950 30 10 HDEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1508066531 AWWPXDUOULZNFI-UTKZUKDTSA-N 418.542 1.698 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1CSC 1508071504 JZTDMCKPHVJBOB-CQSZACIVSA-N 415.523 1.559 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1508091919 XDDASZQELYTJQI-DLBZAZTESA-N 418.542 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(OC)CCOC2)C1 1508109274 PWBVUJHMNRIZAO-JXFKEZNVSA-N 405.499 1.101 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508161754 NAPWVJPCJUJONB-IAGOWNOFSA-N 409.556 1.433 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1508847237 ZJZFJABHTACANG-FGZHOGPDSA-N 408.506 1.940 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(C)CN(C)C1=O 1509947914 XFOKUSLJXGIZEG-SZNDQCEHSA-N 410.478 1.933 30 10 HDEE CC[S@@](=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1516873690 BZIBNJISARIQLV-YMGMXPECSA-N 418.592 1.876 30 10 HDEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@](F)(C#N)C1 1516960207 LUANIJVSDPESSJ-IBGZPJMESA-N 417.445 1.316 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[C@@H]2CCCCO2)CCO1 1521120922 CKOPJYFTYGMCDG-DLBZAZTESA-N 402.499 1.592 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc4nccc(C(F)(F)F)n4n3)CC2)c1C#N 1522359801 BQCJUAMPWOZSDO-UHFFFAOYSA-N 418.383 1.624 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc(OC)c(S(=O)(=O)NC(C)C)c1 1527788176 UJVNARKROQIZIV-UHFFFAOYSA-N 424.519 1.799 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1539202917 MEKWWPGODGLPID-ZWKOTPCHSA-N 421.611 1.934 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](CC)OC 1539307453 SOTJKVMYRGUXAD-LJQANCHMSA-N 404.478 1.809 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1COCCO1 1539405519 CAFPARKCERPSMQ-INIZCTEOSA-N 400.435 1.175 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O 1539414831 ZNLQGHBPHXFPMZ-IRXDYDNUSA-N 410.540 1.573 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)CC1 1539889989 GGJBLMAHDFAKFR-DLBZAZTESA-N 410.540 1.388 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1540054274 OPUOXLOFIIIKHR-UHFFFAOYSA-N 405.524 1.887 30 10 HDEE C=C(CO)C(=O)NCCN1C(=O)S/C(=C/c2cc(OC)c(OC)c(OC)c2)C1=O 1540611098 CTQNZHVEISGZDJ-OQLLNIDSSA-N 422.459 1.413 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1540859689 ARFVIDSVILMEDW-IBGZPJMESA-N 410.522 1.442 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(c3cccc(F)c3)C(=O)C2)nnc1C(C)(C)C 1540876443 RHAICSQMAXGGAT-UHFFFAOYSA-N 414.485 1.870 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC2(O)CCOCC2)CCOC1 1541726175 VBMLMCRJUJKCII-ICSRJNTNSA-N 423.489 1.302 30 10 HDEE CC(=O)NCC1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1542277209 WRMZYQBRUAIRKB-GOSISDBHSA-N 411.462 1.138 30 10 HDEE C#CCCN1CCC(NC(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1544543303 SAPOJRANFHOLDH-UHFFFAOYSA-N 402.514 1.787 30 10 HDEE C[C@@H]1OCC[C@@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCC(=O)N(C)C)CCO2 1545150402 ATMKGJGHMCGKIT-KSFYIVLOSA-N 424.505 1.679 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCC(=O)NC2CC2)CCO1 1555388552 HRRDDRLXBNAPHJ-LJQANCHMSA-N 424.505 1.727 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@]2(O)CCSC2)CCO1 1555994746 YWUBNIPRWJSMTF-ORAYPTAESA-N 421.473 1.744 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H]2CNS(N)(=O)=O)c1Br 1556602978 RVNWNLXEBKDVKS-LLVKDONJSA-N 401.286 1.109 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2nc(C)cc(O)n2)C1 1558349514 IUPMPIDZBJHIBA-HUUCEWRRSA-N 403.483 1.492 30 10 HDEE N#Cc1ccsc1N1CC[C@@H](N2CCN(c3ccc(F)cc3C(N)=O)CC2)C1=O 1560022788 FZGMPUYIASVBBJ-QGZVFWFLSA-N 413.478 1.785 30 10 HDEE C[C@H](NS(=O)(=O)c1c(F)cc(C#N)cc1F)[C@H](C)C(=O)Nc1ncccc1O 1561839946 BWNCWUIISOXTBQ-UWVGGRQHSA-N 410.402 1.879 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN/C(O)=C3\N=CC=CC3=O)n[nH]2)c1C 1565629477 AQDSASUBABJCJF-CZIZESTLSA-N 409.450 1.332 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Cn1cc(C=O)c(-c2ccccc2)n1 1566410315 XIWOTFRBWMGYBO-INIZCTEOSA-N 415.457 1.762 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 1568812890 HXLQKBJSJAXFJF-HOTGVXAUSA-N 404.511 1.464 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@]3(C(=O)OC(C)(C)C)CCCO3)CC2)c1C#N 1569887142 BBMOKCMJXJXNOT-IBGZPJMESA-N 406.508 1.863 30 10 HDEE CO[C@@H]1COCC[C@H]1N(C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1583481967 QFWCLQSNCMPNDV-GVDBMIGSSA-N 400.435 1.026 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC3CCCC3)c2)nn1 1585550506 VHKKLBGLQNUZMC-UHFFFAOYSA-N 419.507 1.624 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCCNS(=O)(=O)CC 1587599109 JSGGLOWOWQPIQH-HNNXBMFYSA-N 405.524 1.741 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 1587723398 GYLIGNGXCXSEMK-WBVHZDCISA-N 406.527 1.104 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1nnc(C)s1)[C@H]1CCS(=O)(=O)C1 1588054293 MZLKWVMWLIHEMJ-HNNXBMFYSA-N 420.564 1.771 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1nncn1-c1ccccc1 1588229148 RMFGQNMQPZMGOM-GOSISDBHSA-N 401.474 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1588923854 OIZLFDSJMNXODE-QZTJIDSGSA-N 401.511 1.173 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1593650088 KHVLPLSRQNOUJD-LJQANCHMSA-N 423.565 1.973 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCNC(=O)CC1 1594807385 NCULWUFENBMKOU-UHFFFAOYSA-N 423.477 1.513 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1595205290 QHVQPFQECKWZLP-MRXNPFEDSA-N 414.510 1.905 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C)=C(Br)C1 1595536822 GUOTWIJFYZMQKR-CYBMUJFWSA-N 423.315 1.410 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](CC)C1 1595551288 NNRVBVZXHHRBFY-MAUKXSAKSA-N 413.478 1.708 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCc2ccco2)C1 1595754299 MUAUTLVYRLGFCR-DLBZAZTESA-N 401.467 1.820 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1595831164 MKOYWOMZYBHZON-MRXNPFEDSA-N 422.555 1.663 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1610043681 HIRLIIVHHYURGN-AOMKIAJQSA-N 424.505 1.726 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2CC(C)(C)O)CCOC1 1610894016 GRSPWVKGUFLFCT-UWJYYQICSA-N 418.542 1.266 30 10 HDEE Cc1nc(Cc2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)cs1 1612414481 WKIFUXIGQPZKEO-UHFFFAOYSA-N 402.505 1.716 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1617997892 AXGHAFGGVUUTLH-MQVJKMGUSA-N 401.492 1.375 30 10 HDEE Cc1cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)ccc1OCCN1CCCC1 1618061855 FJNZIWVGMGNIQQ-UHFFFAOYSA-N 411.462 1.632 30 10 HDEE COCCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C#N)o1 1619872047 SGFJQFBVWMLZHM-UHFFFAOYSA-N 400.464 1.865 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CN(C)C1=O 1619913401 BRBNZNIXSMYSPJ-IBGZPJMESA-N 417.539 1.479 30 10 HDEE COCCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1620052718 BLUOKVBPVMZMQM-QZTJIDSGSA-N 410.478 1.337 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC2CCOCC2)CCO1 1620354932 DUILDNORBRYECM-LJQANCHMSA-N 412.494 1.578 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)C1 1622551242 HNTQDDIADLTLCU-CYBMUJFWSA-N 415.309 1.695 30 10 HDEE N#Cc1c(F)cc(CNC(=O)c2nccc3c(S(N)(=O)=O)cccc23)cc1F 1625871051 GHWRVEXWCRBAGV-UHFFFAOYSA-N 402.382 1.962 30 10 HDEE Cc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)[C@]3(C#N)CCCOC3)C2)cc1 1626470752 DSBKVJZLEPNYFI-XLIONFOSSA-N 405.520 1.832 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)[C@H](C)NC(=O)OC(C)(C)C 1627136735 NMTMUTNUDNXUTQ-XMDUPGNXSA-N 413.540 1.569 30 10 HDEE Cn1cnnc1CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1628600902 QOKFZXIDGAAKPV-SFHVURJKSA-N 410.478 1.880 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](n2cncn2)C(F)(F)F)s1 1632047256 HBROVLOOMHDHDK-LLVKDONJSA-N 423.442 1.266 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2)C(=O)OC 1634064085 XKHVVIWOCYKGRG-HUUCEWRRSA-N 412.483 1.263 30 10 HDEE Cc1ccc(C(=O)NCCCn2cc(CO)nn2)cc1B1OC(C)(C)C(C)(C)O1 1638463942 YOAYNRANOMMPNK-UHFFFAOYSA-N 400.288 1.198 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccnn2-c2ccccc2)cc1 1638562125 LFYJOAVTCIDCJC-UHFFFAOYSA-N 408.483 1.756 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 1639090087 HYZIVRFEAUGDFP-GOSISDBHSA-N 423.473 1.280 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1639839923 GSMZXLAJFJOAEJ-FQEVSTJZSA-N 412.511 1.938 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccnc(C#N)c3)CC2)cc1 1640005317 IJLMKDRIUQHCQW-UHFFFAOYSA-N 414.487 1.679 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)cnc2N)c1 1641042926 NAEPKNPMZBIDHE-UHFFFAOYSA-N 423.292 1.268 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(Br)cc2)c(=O)n1C1CC1 1644154047 DPVBNDFPUMKVIH-UHFFFAOYSA-N 403.236 1.926 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(C2(O)CN(C(=O)OC(C)(C)C)C2)CCC1 1644595891 GNFOGIYNNURXOJ-UHFFFAOYSA-N 422.522 1.942 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc(F)c(Br)c(Cl)c2)c(=O)nc1O 1646146872 CEBHDEUJETWBHE-UHFFFAOYSA-N 415.606 1.806 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1648261788 RKIFXSKNPUUFPF-UHFFFAOYSA-N 408.520 1.594 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)C3CCC3)nnc12 1648848237 ZAJLQZPTJXVQDF-INIZCTEOSA-N 413.503 1.600 30 10 HDEE C[C@H](C(=O)OC(C)(C)C)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CC1 1648848902 DGGAWMSHNCUMIT-CYBMUJFWSA-N 407.492 1.558 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1 1656883665 KMHAZHOXCGSJJH-GFCCVEGCSA-N 410.439 1.356 30 10 HDEE C#CCN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1657714170 IWRPMZAWWOWZQL-INIZCTEOSA-N 403.504 1.030 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2cccc(S(N)(=O)=O)c2)CC1 1674454589 CILQJQXVHVQCAU-UHFFFAOYSA-N 405.505 1.299 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(=O)n(C)cc2Br)n1 1674881077 MBYCHETUSAOACM-UHFFFAOYSA-N 422.283 1.658 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@H]2NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 1676593848 DPRCQXGRXMJELU-OAHLLOKOSA-N 409.450 1.303 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccccc3N3CCCCC3)C2)c(=O)nc1O 1679617011 CGAAOIGWFZKDRO-UHFFFAOYSA-N 408.462 1.577 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1Oc1ccccc1 1681555367 AXIOROYPBRYRQM-ZQAQGDRJSA-N 419.503 1.191 30 10 HDEE CCOc1ccc(Cl)cc1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1685751831 VMMSABNFCKOWAM-KBXCAEBGSA-N 411.911 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1689842913 LCBFDLKBBRCQKO-KRWDZBQOSA-N 405.506 1.439 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1689846408 JJHTZIPWMVUENS-HNNXBMFYSA-N 409.469 1.635 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1689991925 DSLYUARIFUZZMS-OALUTQOASA-N 421.611 1.835 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C1CC1 1690074294 XLEYKKZBPPKMLU-UHFFFAOYSA-N 405.462 1.580 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cnnn1 1690098201 ZFAIEQOGCAUDLS-UHFFFAOYSA-N 401.862 1.156 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)C(=O)C1 1690161494 HNSNWTMIYVZXKL-UHFFFAOYSA-N 403.508 1.508 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1690201506 NHLMQJBCKQNRGT-YJCBXQLOSA-N 405.462 1.792 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1690451316 CZIDPQCXXJYXFS-HOTGVXAUSA-N 409.494 1.997 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1 1691009195 VIDHKWSDTDFZAR-QLFBSQMISA-N 418.523 1.405 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC1(C)C 1697679035 VMYAZDVIWCEGPS-KRWDZBQOSA-N 407.482 1.755 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1705504987 FVOSQWIFEBGJCQ-SOUVJXGZSA-N 414.514 1.684 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1cccnc1)[C@@H]1CCS(=O)(=O)C1 1705565551 VRNMKQIEBVAKPY-GOSISDBHSA-N 422.514 1.605 30 10 HDEE C#CCN(c1nnc(CC)n1CC(=O)N(C)C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1705571285 XSVRSVICSBNXST-QGZVFWFLSA-N 421.567 1.258 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NCCC 1705603143 OCIMAJHPULLGGE-UHFFFAOYSA-N 416.913 1.847 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CC(=O)N(C)C[C@@H]1C 1705662542 CCDNNVLLHGEXOB-INIZCTEOSA-N 413.547 1.911 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1705672737 HBPPCOSQVVQMOG-QFBILLFUSA-N 407.540 1.200 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1705830338 NCAMIVWAWVLVSY-SFHVURJKSA-N 423.583 1.305 30 10 HDEE CC(=O)NCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1706056079 DUAMTYYLOFQZPT-GOEBONIOSA-N 416.457 1.812 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1706747827 COZFMXMCIDAUQP-MCIONIFRSA-N 413.448 1.852 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@@H](F)COC 1710734466 DHVVBSJWJADWAT-LSDHHAIUSA-N 418.477 1.176 30 10 HDEE CO[C@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711518779 FVCXTZKMQLWYGI-QGZVFWFLSA-N 418.505 1.892 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCN2CCCO)C[C@@H]1O 1712833447 JYNUKSUJSYTNSS-QMMLZNLJSA-N 424.549 1.871 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1nccs1)[C@@H]1CCS(=O)(=O)C1 1722362737 VZARQGLZMLWUTA-CQSZACIVSA-N 414.516 1.472 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@](C)(O)C(C)C 1722384679 XFCLBKSWOQKBPF-QHCPKHFHSA-N 421.549 1.932 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722412027 UANHFIBNKBYZIT-QZTJIDSGSA-N 402.543 1.184 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C#N)o1 1722422318 QKMKQIHEUWBHBU-OAQYLSRUSA-N 413.478 1.918 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1CC1(O)CCOCC1 1722427026 KAVUAGGKRCFTTJ-UHFFFAOYSA-N 423.517 1.909 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722434281 NMLMELBBVXURJQ-HSZRJFAPSA-N 406.534 1.741 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2cccnc2)C(C)C)CC1 1722438055 YUNMZBCKXRFPRW-UXHICEINSA-N 421.549 1.819 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC(N)=O 1722455996 ZWSDGEYNBYBJGL-ZDUSSCGKSA-N 401.492 1.740 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CC1)COC(=O)N2 1722553705 FQEHBEGAKSYPAQ-UHFFFAOYSA-N 405.890 1.971 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1722592995 FAKSXSSVTGFHQC-HRAATJIYSA-N 421.542 1.484 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722617716 LVLRLUJDCLDXSK-QZTJIDSGSA-N 416.570 1.927 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1722624494 DPSPLHZFWSZIQN-UHFFFAOYSA-N 422.555 1.726 30 10 HDEE C=CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722686246 UOVQGOYIZSRGEB-KRWDZBQOSA-N 406.575 1.716 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722690388 JDOPDZBTMINSAC-DLBZAZTESA-N 412.542 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1722725298 IKERJPDIOKARPT-MRXNPFEDSA-N 417.535 1.556 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCCN(CCC)C(=O)C1 1722728339 QGMGLTLOKVRQDQ-UHFFFAOYSA-N 411.572 1.526 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2Cc2nncn2C)CCOC1 1723683323 UUARAGPRLVDMTE-VQTJNVASSA-N 414.514 1.626 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2conc2COC)CCOC1 1728795479 QGWKJQOFSYVGRO-OALUTQOASA-N 420.445 1.555 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1729761811 AGSOFMODWRGSFZ-IAGOWNOFSA-N 422.489 1.731 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1740601821 ZTFHHZSKZAHQRR-CQSZACIVSA-N 414.491 1.661 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N[C@@H](C)CC 1740609263 MYOVXMIJMDXLED-HNNXBMFYSA-N 421.505 1.566 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740615686 IXXWFMCTTZSVRU-QGZVFWFLSA-N 409.600 1.933 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCC[C@@H](O)C1 1740646483 ASNALPMCIBWAEI-KNKQGSTJSA-N 400.523 1.944 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCN(CC)CC1 1740660922 JERQXUCTXGLVNQ-IBGZPJMESA-N 415.586 1.247 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CCC(C)(F)F)CC1 1740708412 ONIBXSTYBMDJFY-UHFFFAOYSA-N 422.480 1.412 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1740717258 NKKDQDMCGFYFPA-YOEHRIQHSA-N 413.503 1.469 30 10 HDEE Cc1c(CN(C)c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1742063095 IVCKDKQVFBWNOB-HTXNQAPBSA-N 410.482 1.360 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)C[C@@H](C)C#N)CC1 1746468135 IVLYSGYMIDYHOQ-OALUTQOASA-N 403.575 1.796 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCC1 1747942531 VVRYRENVMRBQCJ-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC(=O)NCc2ccco2)c1 1748694632 KIRCJOMLYFPDDL-UHFFFAOYSA-N 420.473 1.806 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCc1nnc(C)s1 1748842306 KGPHEJOVYWTVHG-UHFFFAOYSA-N 409.475 1.481 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCCn1cccn1 1748855912 LSWDNJPEBJOKND-UHFFFAOYSA-N 407.503 1.629 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCSC2)CC1 1749014000 BHRHUGZHOSHFNU-WBVHZDCISA-N 403.552 1.501 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCCC1 1749053724 KVYMHWVNHOZQHV-FXAWDEMLSA-N 422.599 1.756 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1749649828 CDDQVRDSNBEZOJ-LNLFQRSKSA-N 405.543 1.878 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749655062 BUMMUXHSUNBFDC-QAPCUYQASA-N 415.494 1.496 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](COCC)C1 1749735477 USJJWCFAXMOBII-SJORKVTESA-N 412.556 1.636 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1750077228 FBEHRMILJYGEGS-CYBMUJFWSA-N 416.436 1.494 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCC(=O)N(C)C)CCOC1 1751006802 KJJHDVKWYBRYLZ-JXFKEZNVSA-N 406.531 1.925 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1Cc1cn(C2COC2)nn1 1760119690 CNGBZSBUWCGNDC-MRXNPFEDSA-N 421.505 1.741 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNC(=O)c1cc[nH]n1 1760121220 SVKPFBPEMNXAHU-MRXNPFEDSA-N 416.489 1.892 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CC(=O)N(CCOC)C1 1760177057 LBZIYYLMNRLTHS-KRWDZBQOSA-N 420.517 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(OC)nc1OC 1760207061 WFVGMTCTWQBWKO-UHFFFAOYSA-N 419.489 1.673 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760358376 VCQOBYBURBAHAG-FGTMMUONSA-N 403.527 1.822 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CCN(C)C2)CC1 1760396825 JEMARVCBPBFSHK-VXKWHMMOSA-N 419.570 1.788 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760469163 WGWMBOOMHUPKBO-BRWVUGGUSA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(C)C(=O)[C@H]1C 1760518686 ZEUSOJZFCGFWDC-GFCCVEGCSA-N 420.876 1.707 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CCCN2C[C@H]1C 1760527050 LYTZKKIXQYRWCP-QZTJIDSGSA-N 412.542 1.115 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@@H]1CO 1760692910 FFZZQLHEDXTDMY-ZACQAIPSSA-N 403.531 1.062 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)c1 1761671377 OMELNZFDTZLMKG-UHFFFAOYSA-N 406.446 1.923 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](COC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763812814 BDJJAEUILIFZAS-DXNFXHBHSA-N 418.498 1.170 30 10 HDEE CN1C[C@@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1767504589 APIADVLQMDFMIF-IERDGZPVSA-N 407.478 1.216 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)C1 1770317064 MEMYXAUNXYGHGO-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1770317067 MEMYXAUNXYGHGO-FUHWJXTLSA-N 415.519 1.867 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCC(=O)NC2CC2)cc1 1770740043 HINMZSNLULUESF-UHFFFAOYSA-N 407.478 1.202 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1771034348 RLKRSIZYJQKEEA-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@H](NC(C)=O)C2)n1Cc1ccc(C#N)o1 1771204510 VDLOGSIHYYPCID-ZBFHGGJFSA-N 416.482 1.620 30 10 HDEE COc1ccc(CCNC(=O)N[C@@H](C)C(=O)ON2C(=O)c3ccccc3C2=O)cc1 1772790950 WBYYATJSJCOFSM-ZDUSSCGKSA-N 411.414 1.680 30 10 HDEE C=CCN(C)c1ccc(S(N)(=O)=O)cc1C(=O)ON1C(=O)c2ccccc2C1=O 1772792110 GVWOIMGYGHJJSL-UHFFFAOYSA-N 415.427 1.324 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 1849907520 FPQUBUOCVKDPNT-UHFFFAOYSA-N 401.492 1.364 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCC(C(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1 1850358350 GGULVBVJDHFLKD-HNNXBMFYSA-N 412.515 1.874 30 10 HDEE C=CCN1C[C@H](C(=O)NCC2CCN(C(=O)c3cccc(N(C)C)c3)CC2)CC1=O 1850570471 IESKYDKCOZBYAJ-LJQANCHMSA-N 412.534 1.756 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1C 1851196558 AQZDCKXSPNONIH-KRWDZBQOSA-N 404.474 1.667 30 10 HDEE Cc1nn(C)c(NC(=O)[C@@H](CC2CCCCC2)N2CCS(=O)(=O)CC2)c1C#N 1851566466 RWVTXAUPNFUGOL-QGZVFWFLSA-N 407.540 1.608 30 10 HDEE COc1cccc(C#N)c1OCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 1852064499 WGYWUNLFGIWNII-UHFFFAOYSA-N 408.458 1.972 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCC(C(=O)N3CCC(C#N)CC3)CC1)OCO2 1852295489 XKQRWLIHPPEQPP-UHFFFAOYSA-N 408.458 1.830 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CO[C@@H]1CON(c3ccc(C#N)cn3)C1)CC2 1853029196 RBPFRLNFNNVRKX-SFHVURJKSA-N 424.457 1.692 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(N[C@@H]3CCCN(c4ncc[nH]c4=O)C3)CC2)CC1 1853520577 JCCAHOALHPDVGQ-QGZVFWFLSA-N 421.567 1.231 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3CCC(Cn4cccn4)CC3)C2=O)CC1=O 1854057566 SHKWLQOWEXHCMQ-RTBURBONSA-N 413.522 1.147 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(C)no3)C3(CCCC3)C2=O)CC1=O 1854091107 BCCJOGQLBAEIMS-MRXNPFEDSA-N 400.479 1.501 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC=C(c4cccc(C)n4)CC3)C2=O)CC1=O 1854129157 AWDPGISJMGVHPS-QUCCMNQESA-N 408.502 1.641 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)C2CC3(CCC3)C2)C1=O 1854252649 HSEHKORPIPVCRB-SFHVURJKSA-N 408.506 1.567 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)COCc2ccccc2)C1=O)[C@@H]1CCN(C)C1=O 1854351936 OPNMCPPFEPGMGS-VQTJNVASSA-N 413.518 1.830 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3ccc(F)c(F)c3)C2)cc1 1854400851 DAAONBKLBYCBOO-AWEZNQCLSA-N 408.382 1.927 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)OC1=O 1854655715 UTRZWKAWOQOPSH-INIZCTEOSA-N 409.439 1.629 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccc(Br)cc1 1854866106 UMNAFYRHECEZFZ-JTQLQIEISA-N 400.254 1.111 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3c4ccccc4nn3C)C(=O)C2)C1 1854957093 WCRWTZKVRBVMNB-IAGOWNOFSA-N 408.506 1.624 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C[C@@H]4CCOC4)C(=O)C3)C2)s1 1856310075 ZWAAFLCMTFLSHF-HOTGVXAUSA-N 402.520 1.291 30 10 HDEE COc1cccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)c1OC 1856322649 ZGLVLXAEMKVWDX-UHFFFAOYSA-N 409.442 1.939 30 10 HDEE Cc1nn(C)c(C)c1C(=O)N1CC[C@@H](N2CCC(c3ncccc3C#N)CC2)C1=O 1856467280 LBWAIDUWARFPLW-GOSISDBHSA-N 406.490 1.924 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)C1=O 1856496116 AMJYZOZYGCTHOO-WMZOPIPTSA-N 418.519 1.060 30 10 HDEE COc1cncc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1C 1857104743 WIZANYQAQRVERN-QGZVFWFLSA-N 407.430 1.170 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC(C)C)nc2)C1)[C@H]1CCN(C)C1=O 1857236688 KKSBACFFABSXCT-WMZOPIPTSA-N 414.506 1.576 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(O)c(O)c2)c1 1862556785 FCKVRMHCZRXTCA-SFHVURJKSA-N 411.414 1.394 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccccc1[N+](=O)[O-] 1862558374 SABMNLJCOHHQFS-GOSISDBHSA-N 424.413 1.891 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(O)c(O)c1 1862676038 YVIMIHVDARQNIW-GOSISDBHSA-N 414.389 1.951 30 10 HDEE C#CCOc1cn(CCc2ccc(OC)cc2)c(CN2CCN(C(C)=O)CC2)cc1=O 1870560036 YEPYISCWFPAUIK-UHFFFAOYSA-N 423.513 1.776 30 10 HDEE C=CCN=c1nc(N2CCN(c3ccccn3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664390 NTNVZFRYFKHQRI-UHFFFAOYSA-N 418.505 1.787 30 10 HDEE C=CCn1c(C(=O)NCCCN(C)C)cc2c(N3C[C@H](C)O[C@@H](C)C3)ncnc21 1873593697 UTADXVDPITTZNI-HOTGVXAUSA-N 400.527 1.912 30 10 HDEE NC(=O)CSc1nnc(Cc2ccccc2F)n1/N=C/c1ccc(O)cc1O 1874375258 NNYHIPFPPHLGRT-ZVBGSRNCSA-N 401.423 1.879 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nc(C)n4ccccc34)CC2)CC1 1889383926 XWQRVQXNBILKFC-UHFFFAOYSA-N 423.561 1.905 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)CC1 1890053512 OBSMJGIJCVNLEH-UHFFFAOYSA-N 418.494 1.838 30 10 HDEE C#CCN(C1CCOCC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1965777104 HYDJOHYCQIMBMO-UHFFFAOYSA-N 418.515 1.753 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 2054408607 TUCLVAJDRMNUBE-QZTJIDSGSA-N 406.508 1.858 30 10 HDEE CCON(C1CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174944728 BLKXLYIKVUCIFY-UHFFFAOYSA-N 403.501 1.509 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)O1 2243674689 MNLXHRIVPOLUAD-HUUCEWRRSA-N 408.304 1.810 30 10 HDEE CC1(C)OB(c2cnc(N3CC(CNC(=O)C(F)(F)F)C3)c(F)c2)OC1(C)C 2243756603 JGJQOTYAJFBKKK-UHFFFAOYSA-N 403.185 1.635 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247822567 GLNPBOOJLFJXDM-JOCQHMNTSA-N 420.319 1.742 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247823283 MWGBOVIRCYSTQE-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247825493 FLOMPIFEFKIAJQ-ZDUSSCGKSA-N 418.303 1.614 30 10 HDEE Cn1cc(C(=O)NCCCONC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247916081 PLCHIXSLORKNRA-UHFFFAOYSA-N 424.307 1.296 30 10 HDEE Cc1nc(O)sc1S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2268719772 JWNRDKMHEDCODN-UHFFFAOYSA-N 403.316 1.714 30 10 HDEE C[C@@H](CS(N)(=O)=O)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2281783057 GFOFXXCAEQOEIU-JTQLQIEISA-N 402.709 1.046 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](CO)C(C)C 2282313018 FDZVTTBBZAZIMK-ZDUSSCGKSA-N 403.375 1.899 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCC[C@H]3N)c2)OC1(C)C 2282345813 RHMLUBTUZWPSTL-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1O 2282496151 WMYYTUXHAQPECJ-CYBMUJFWSA-N 401.359 1.580 30 10 HDEE COC1CC(N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282499433 PAOSXJICLSMVQL-UHFFFAOYSA-N 401.359 1.986 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282499747 FQGYFXRTNJVWKK-VWLOTQADSA-N 405.322 1.172 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](O)C[C@H]1C 2282835545 WLIFROQSYZOEFG-DGCLKSJQSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N=S3(=O)CCC(N)CC3)c2)OC1(C)C 2282848123 JJDJNNALJSYMNJ-UHFFFAOYSA-N 420.387 1.325 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCNC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282871346 FQBWEKSPHCINAH-LLVKDONJSA-N 400.375 1.647 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2284413132 HCDQZCYDWQGXBC-UHFFFAOYSA-N 403.331 1.143 30 10 HDEE N#Cc1cc2c([nH]c1=N[C@@H]1COCCN(C(=O)OCc3ccccc3)C1)CCOC2 2294778644 DHQGRSVCSGYRKZ-IBGZPJMESA-N 408.458 1.897 30 10 HDEE Cc1nc(N(C)C)sc1C=Nn1cnnc1SCC(=O)NCc1ccco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c1ccc(N2/C(=N/C(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 16741083 PRWSMYRCUIFQAY-YQTDRKPDSA-N 412.489 1.552 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2c(C(C)=O)oc3ccccc23)CC1 27900636 NVZCEYWMIUWJMM-HNNXBMFYSA-N 412.490 1.882 30 10 HDEE C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C2=C1CN(CC(=O)N1CCOCC1)C2=O 35969756 RVCVVQDLHLUYLY-FQEVSTJZSA-N 410.474 1.202 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)NCC#Cc1ccc(N2CCNC2=O)cc1 96353206 KKVXEVDKVWHMEX-UHFFFAOYSA-N 403.435 1.694 30 10 HDEE C#CCN(Cc1nnc(C(=O)NCc2ccc(C)cc2)s1)[C@@H]1CCS(=O)(=O)C1 111048181 MESALTWAIVJMTQ-MRXNPFEDSA-N 418.544 1.399 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1ccc(O)cc1O)n2Cc1ccc(F)cc1 254557077 FPCYFDHMSZCYPR-UHFFFAOYSA-N 424.392 1.880 30 10 HDEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1 254743095 MPKGIKMGKTVAEM-NWDGAFQWSA-N 424.422 1.833 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccnc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 431241509 CXNRTGJRAUBJDV-IBGZPJMESA-N 401.444 1.565 30 10 HDEE CCOc1cccc(CCNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 434435098 PORBFAGUPJRIIW-OAHLLOKOSA-N 401.488 1.983 30 10 HDEE N#Cc1c(NC(=O)CCN2CCC[C@@]3(C2)NC(=O)NC3=O)sc2c1CCCCC2 434788457 UOAYDTLWRXFLRP-FQEVSTJZSA-N 415.519 1.891 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 441226459 FRXSEDXKPIUJSA-PLTLITPRSA-N 403.435 1.520 30 10 HDEE Cc1nn2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)cnc2c1Cl 460784792 QDZVZNNDZIYXHB-UHFFFAOYSA-N 414.838 1.944 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CCC(=O)N(C)C)CC1 473057891 YTRJTZILTJAUIR-KRWDZBQOSA-N 403.502 1.557 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cnn(CCO)c2-c2ccccc2)CC1 474410461 FEHLDIYTJZVDIS-UHFFFAOYSA-N 402.458 1.771 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)c2cnc3n2CCC3)CC1 475584078 OCTRXDNBYVBQAN-UHFFFAOYSA-N 408.487 1.760 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C#N)c1ccc(Br)cc1 477202281 DORWXNJQJYTOIF-AWEZNQCLSA-N 418.313 1.474 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 482174620 YJKJHEKOACNCLB-RHSMWYFYSA-N 406.508 1.084 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1 489114762 HSDOIOUROHIMPN-UHFFFAOYSA-N 400.460 1.417 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1C#N 489294082 RCGACKWHBMNSSX-MAUKXSAKSA-N 419.551 1.263 30 10 HDEE CS(=O)(=O)N1CC[C@H](CNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 510100743 SUWLWGOZCZOJJA-OAHLLOKOSA-N 400.460 1.757 30 10 HDEE CCOC(=O)C1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 511683831 SZGHBKMJKMRDPN-UHFFFAOYSA-N 405.476 1.125 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3c(C)n(C)c4ccccc34)CC2)c1C#N 514803484 FHFUQLSEPZDGIX-UHFFFAOYSA-N 412.519 1.911 30 10 HDEE C=C(C)CN1CCC(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 521581898 SHEUPWPEXZYLSD-UHFFFAOYSA-N 410.496 1.420 30 10 HDEE N#Cc1cccc(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 530670520 PHLFLDTTWBZBLS-UHFFFAOYSA-N 405.501 1.500 30 10 HDEE C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CCN(c2ncccc2C#N)CC1 532739003 MZJWMOOQNVTCFJ-AEFFLSMTSA-N 407.474 1.420 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCSC[C@H]2CCO)CC1 540548325 DWOZETXFCAIAIQ-RTBURBONSA-N 406.527 1.334 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 549682266 XYIRITMVNMTWAD-ROUUACIJSA-N 418.542 1.075 30 10 HDEE COCc1ccccc1CS(=O)(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 557846586 HERMVVQVJSJOAW-FQEVSTJZSA-N 413.499 1.925 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)c3cc(C#N)ccn3)CC2)c([N+](=O)[O-])c1 564741397 DRFBPPCWFGIJNT-UHFFFAOYSA-N 415.431 1.227 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1 585356128 WVRHOHHKPWSMKO-UHFFFAOYSA-N 415.475 1.975 30 10 HDEE Cc1ccc([C@H](CNC(=O)N2CCN(c3ncccc3C#N)CC2)N2CCOCC2)o1 589839306 CAKXNKZVDYHPEC-IBGZPJMESA-N 424.505 1.760 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(F)c2)c(=O)n1-c1ccccc1C#N 604000110 NDAWEJRPCOWBAA-UHFFFAOYSA-N 422.416 1.298 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)CC1 619502728 AJIKYESHUDFEHY-BJLQDIEVSA-N 414.554 1.801 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc3c(C(F)(F)F)cc(O)nc3o2)CC1 619551065 WRAGSTARRWBSLV-UHFFFAOYSA-N 412.368 1.612 30 10 HDEE CCN1CC[C@H](NC(=O)C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1=O 619843708 QMDDBKHUEYCWGT-ZDUSSCGKSA-N 400.826 1.073 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 670196912 DNCVZDFAKJUOLP-APWZRJJASA-N 412.542 1.244 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(CN2CCN(c3ccccn3)CC2)cc1 679530098 AXNYOYLAZKGEKL-UHFFFAOYSA-N 423.517 1.661 30 10 HDEE COCCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729671053 BXYMCTSDNMWFBY-UHFFFAOYSA-N 410.499 1.322 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CC(C)C 729671579 MMVJBBVDEXAMAE-UHFFFAOYSA-N 423.542 1.489 30 10 HDEE CCOC(=O)COc1cccc(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732415890 GBRCZELHZPJQFO-ZCXUNETKSA-N 402.407 1.276 30 10 HDEE CN1CCN(CCCNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)[C@@H](c2ccccc2)C1 732673638 BFXRIVNRPLZPHP-FGZHOGPDSA-N 410.566 1.747 30 10 HDEE CC(C)(C)[S@](=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 734954061 DXAJYSPXMDXPEO-RBSBEOHCSA-N 416.547 1.871 30 10 HDEE CC(C)[C@@H](C)CNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 740505681 DTBAEKGGSOGBNF-AEWZPABSSA-N 408.524 1.846 30 10 HDEE CC(=NNc1ccc(S(N)(=O)=O)cn1)c1ccc(N2CCCS2(=O)=O)cc1 741163281 QFBVRQIVCHDGEV-UHFFFAOYSA-N 409.493 1.105 30 10 HDEE C#CCN(CC(=O)Nc1nc2ccc(OCC)cc2s1)[C@@H]1CCS(=O)(=O)C1 744398722 OPZKOAWQFMXMTR-CYBMUJFWSA-N 407.517 1.756 30 10 HDEE COc1ccc(COC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C#N 747013436 QECXWMXCCCZWNH-UHFFFAOYSA-N 420.443 1.606 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnc(CC(C)C)s2)c1=O 758068656 NWRTWAMBDTUTTI-UHFFFAOYSA-N 414.556 1.227 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C1 760402266 RFBSPLSNOJBGSV-CQSZACIVSA-N 415.512 1.542 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NOC[C@H](C)NC(=O)OC(C)(C)C)c1 767161988 FQEWAEOANBZUTQ-ZDUSSCGKSA-N 413.496 1.726 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H](O)CN3CCCCC3)ccc2c1=O 771660425 QQBPTDKLXGBUFO-HNNXBMFYSA-N 402.520 1.448 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1noc(C)n1 777789629 WUXGVRADULFZEN-CQSZACIVSA-N 405.480 1.634 30 10 HDEE COc1ccc(CNC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)cc1C#N 780843202 NEXITCCRMTZIPY-MRXNPFEDSA-N 423.433 1.633 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](O)c2ccc(C#N)cc2)CC1 780889013 ZYKULWWIJOTABD-IBGZPJMESA-N 420.535 1.245 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cn(-c3cccc([N+](=O)[O-])c3)nn2)n1 788819144 ALGSYZDGGPMHCG-UHFFFAOYSA-N 409.406 1.294 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ncccc3C#N)CC2)C1=O 789888373 DIHMERODFCLUMX-JOCHJYFZSA-N 418.457 1.069 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C[C@](O)(c2nccn2C)C(F)(F)F)n1 790106017 MNTRCWRGPSPSLB-KRWDZBQOSA-N 413.400 1.065 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC(C)C)sc(=Cc2c(F)cccc2CC)c1=O 794644683 IHBZBETVHACELG-UHFFFAOYSA-N 411.502 1.520 30 10 HDEE CCOC1CC(C=NNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])C1 794854132 BUVWCEITNXYRNM-UHFFFAOYSA-N 412.468 1.829 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c1=S 795658850 QGQXSNZQXMPZSN-INIZCTEOSA-N 422.580 1.975 30 10 HDEE Cc1nn(CCOC(=O)[C@@H](C)n2cnc(C#N)n2)c2ncc(Br)cc12 798839712 DYGQYPDDXILVNE-SNVBAGLBSA-N 404.228 1.770 30 10 HDEE C[C@@H](Sc1ccccc1C(=O)NS(=O)(=O)Cc1ccccc1C#N)C(N)=O 802030417 DIGFRIOEUNPBQO-GFCCVEGCSA-N 403.485 1.784 30 10 HDEE CC#CCn1c(-c2cnn(C)n2)csc1=Nc1cccc(S(=O)(=O)N(C)C)c1 803170164 KAFGOUYRTPDKRR-UHFFFAOYSA-N 416.532 1.851 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C/CNC(=O)OC(C)(C)C 807232332 WELSRNZAOKBUKI-GJBLVYBDSA-N 422.507 1.422 30 10 HDEE CSCCCn1c(=C(C#N)C#N)sc(=Cc2cnn(-c3ccccc3)n2)c1=O 839369184 FJAQBHBCOSFXIO-UHFFFAOYSA-N 408.512 1.270 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849498397 RQULOWIYUAOFSD-QZTJIDSGSA-N 423.521 1.541 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCc1nnnn1C1CC1 899167941 SFTHURCQYPHHAC-UHFFFAOYSA-N 400.342 1.835 30 10 HDEE CC(=O)Nc1cccc(NC(=O)CSc2nnc(NN=Cc3ccco3)n2N)c1 1084313409 HHNYUCXGOBEYOA-UHFFFAOYSA-N 414.451 1.720 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1cc(C)c(C#N)c(C)c1)CCS2(=O)=O 1134858971 DHCCRPQVNYGEBT-LFDOHDQPSA-N 404.488 1.804 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)OC(C)(C)C 1137442027 RVXNWKOZVOAFSL-VQTJNVASSA-N 415.534 1.856 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1139854586 ATSOIRDFUWOEBU-KBMXLJTQSA-N 408.499 1.148 30 10 HDEE C#C[C@@](C)(CC)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1141039012 YORQJLBQSOPZMT-NRFANRHFSA-N 419.547 1.526 30 10 HDEE Cc1nc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)nn1-c1n[nH]c(C(F)(F)F)n1 1149469042 OIGFYMJMFDQEHI-UHFFFAOYSA-N 417.355 1.521 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](N3CCCC3)C[C@H]2C(C)C)c1 1159139368 IVIREIHKLRNDAL-ICSRJNTNSA-N 403.548 1.933 30 10 HDEE COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cn1c2c(cc(C#N)c1=O)CCC2 1166891013 CHXMQVQJTPJZBC-LJQANCHMSA-N 418.453 1.590 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc1S(=O)(=O)NCC#N 1179552725 RTRBTNOEZOBWIN-INIZCTEOSA-N 407.492 1.255 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CC(=O)NCc3cccc(C#N)c3)C2)C1 1197748546 IDFPPTYHSVCQDK-QFIPXVFZSA-N 414.506 1.886 30 10 HDEE COC(=O)N1CCC[C@@H](NS(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1209083553 BTOLTAVBHHBDKZ-LLVKDONJSA-N 402.270 1.830 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccnc(N(C)C)c3C2)c1 1214061564 CDCPKGJHZIOSGZ-UHFFFAOYSA-N 400.504 1.810 30 10 HDEE C#CC1(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CCCC1 1216039108 VACQESMYNPSZOS-UHFFFAOYSA-N 420.535 1.841 30 10 HDEE COc1cc(CNC(=O)N2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)ccc1C#N 1227902064 VQTXITYXTZTSGP-KDURUIRLSA-N 418.453 1.893 30 10 HDEE CN1CCN(C2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)CC1 1248374620 DEBRISTWVYTIJU-NRFANRHFSA-N 424.549 1.081 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1251731285 CBJCOYBRNIHKFG-ROUUACIJSA-N 418.494 1.869 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCc1cccc([C@@]2(C)NC(=O)NC2=O)c1 1251870475 RTRVDHQQLWWTOQ-JOCHJYFZSA-N 406.442 1.753 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1286376304 JFVSUBQKGQFOSR-CABCVRRESA-N 402.476 1.090 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)Oc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286396997 ZXBSJCDULFZMMO-DLBZAZTESA-N 402.520 1.935 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1286407018 BBACUNRDTXAUOZ-UHFFFAOYSA-N 424.505 1.189 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1 1286517809 WFYWAKJJGJGYCF-MGPUTAFESA-N 417.535 1.937 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1286607277 NPBQKENYBORVEL-SFHVURJKSA-N 412.498 1.583 30 10 HDEE CC(C)NC(=O)c1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1C[C@H]1COCCO1 1288066999 FJNVHQOSULYYBU-IBGZPJMESA-N 424.505 1.872 30 10 HDEE COC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)[C@@H]1CCCOC1 1288916790 ZGLVURYNQFNVQT-NXHRZFHOSA-N 414.462 1.321 30 10 HDEE C=CCN1CCC(NC(=O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CC1 1293033969 RXVRFOBVBXHSNX-INIZCTEOSA-N 415.556 1.177 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1294886841 BFGRLLMTZWIKBS-OAQYLSRUSA-N 410.478 1.339 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1298937399 QIJZRQMULVDMOB-MSOLQXFVSA-N 416.526 1.564 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl)C(=O)OC 1299178767 NLPPQRRWESYUOS-SNVBAGLBSA-N 423.672 1.045 30 10 HDEE N#Cc1cccc2c1CN(C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C2 1300168173 IYNABPXGPKGSGC-KRWDZBQOSA-N 405.863 1.393 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1 1300348367 YQEPYOWSDIAFKT-IMJJTQAJSA-N 421.519 1.852 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1300382670 YWWULTKIIIDABO-HZMVEIRTSA-N 404.467 1.920 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C[S@](C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1300482423 FKLVKVAFZVAWEM-MYUZEXMDSA-N 420.560 1.140 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCOC[C@H]2CCCO2)CC1 1300695806 KFNMRNNQAPSBNP-LJQANCHMSA-N 412.538 1.625 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1C 1300780762 WJDUVWJKHXLSBW-IUVQAAGXSA-N 409.556 1.553 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1300957422 VESRRPQXRMDZCG-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1301497383 VEBIMSNPPKRLEF-CJNGLKHVSA-N 416.482 1.169 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCCOC)C1 1301499785 GACDKNSPTRKALG-IRXDYDNUSA-N 407.515 1.106 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCC2)C1 1301556470 HSMFFVRSNRSEOA-IRXDYDNUSA-N 409.556 1.057 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1301920785 PJTIFVLVCYXWER-RBUKOAKNSA-N 421.505 1.590 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCC(C)(C)O 1302095823 XKCYFEXJZHEOCX-NVXWUHKLSA-N 406.531 1.340 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1COCCO1 1302293370 LNTYROMSNZSWQS-CLWJZODNSA-N 405.499 1.548 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OC 1302428885 MXNTUXFEUNOGFI-SFHVURJKSA-N 403.479 1.565 30 10 HDEE CC(C)NC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](F)(C#N)C1 1303430306 FBHYTIJMNTUVFO-NRFANRHFSA-N 424.484 1.873 30 10 HDEE N#Cc1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc([N+](=O)[O-])c1N 1306911128 CLAKHMVXYUVPOK-UHFFFAOYSA-N 401.448 1.701 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1309853614 XMQKHXJKUMGSIZ-BHIYHBOVSA-N 406.504 1.697 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CS1(=O)=O 1312970254 HPKDZFPHXLUHSI-TZMCWYRMSA-N 407.496 1.221 30 10 HDEE CN(C)C(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1314640960 OQKVKXXLFVVLCV-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)C1 1316256073 ANPXJOXVYFDENB-CVEARBPZSA-N 401.467 1.784 30 10 HDEE Cc1c(C#N)cccc1C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 1327917194 OMKCHICGYFUQCF-KRWDZBQOSA-N 420.517 1.443 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cc2nc(C3CC3)nn2C)cc1 1350773534 FMRVEBUUXOSYRK-KQWNVCNZSA-N 416.507 1.687 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1355420334 RGLBCWYZPHWLCS-GOSISDBHSA-N 414.572 1.111 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCc1noc(CC)n1 1358896575 HOYGULQRYLLBHA-ZDUSSCGKSA-N 413.507 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C(=O)NCC)CCC1 1358900437 KILNIMKMVXGKLZ-ULQDDVLXSA-N 403.527 1.766 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1358925157 VLUQQRZWMUPFON-INIZCTEOSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358967595 NPVVLQDGHOMTOU-DLBZAZTESA-N 410.540 1.571 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1359209977 GDCUAXRRYPIGJS-UHFFFAOYSA-N 403.508 1.641 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCNC(=O)C(C)(C)C)C1 1359320377 PUMKJXATTDPDGB-GJZGRUSLSA-N 404.515 1.173 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN2CCOCC2(C)C)C1 1359321866 MWISNQQFWUSQQX-ROUUACIJSA-N 405.543 1.674 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCN(CC)[C@@H](C)C1 1359333745 IKWRPILSMCVOGQ-KRWDZBQOSA-N 418.567 1.395 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1c1cccnc1 1436046161 URALCVJOFFXDQN-UXHICEINSA-N 405.458 1.459 30 10 HDEE C[C@@H](C(=O)N1CCCc2nc(C#N)ccc21)N1CCN(C(=O)OC(C)(C)C)CC1=O 1437268386 NDAYIESZOCIXNB-AWEZNQCLSA-N 413.478 1.700 30 10 HDEE C[C@H](C(=O)N1CCCc2nc(C#N)ccc21)N1CCN(C(=O)OC(C)(C)C)CC1=O 1437268406 NDAYIESZOCIXNB-CQSZACIVSA-N 413.478 1.700 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)Nc1ccc(OCC#N)cc1 1440335958 AAYCQXVFEAFGBB-HNNXBMFYSA-N 411.480 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2Cc3cc(F)ccc3NC2=O)[C@@H](C#N)C1 1445369406 JREBJZGBNGKYFL-GJZGRUSLSA-N 402.426 1.908 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)cn1 1446026740 WBQCUDPTPPFZAW-UHFFFAOYSA-N 415.475 1.538 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@](O)(/C=C/OCC)C(F)(F)F)cc1 1450325677 NUCHRVNNMOTHTC-SOGBHIHOSA-N 422.425 1.724 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1456211168 JSQJODKUWABIBO-KYNGSXCRSA-N 411.524 1.420 30 10 HDEE C=CCCn1cc(C(=O)N2CCC[C@H](S(=O)(=O)N3CCc4ccccc43)C2)nn1 1458770080 SFRVSBCSIZPURN-KRWDZBQOSA-N 415.519 1.851 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)C[C@H]2CC(=O)NC2=O)CC1 1464963891 PBYVWNMAIJHVDN-UKRRQHHQSA-N 419.279 1.211 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N[C@H](C#N)C2CCCCC2)C1 1465505283 RIAFISYDJCDEIH-HZPDHXFCSA-N 413.540 1.999 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)O1 1466486211 KDCXOGSKHBYZSF-IRXDYDNUSA-N 407.511 1.389 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)cc1S(=O)(=O)NCC#N 1468116422 MQMOQWXXXZGTMA-RDJZCZTQSA-N 417.491 1.181 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1nc(C)cs1)C(F)(F)F)c1cc[nH]n1 1468534628 CUPZRGZCZIVSSQ-LBPRGKRZSA-N 419.385 1.878 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(Br)c1C#N)[C@H]1CN(C)CCN1C 1475706287 FUQFPCOIIZENJJ-BXUZGUMPSA-N 401.330 1.233 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)ccc1F 1476577723 AAOZHFAWLIZIDZ-AWEZNQCLSA-N 419.438 1.686 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1478581124 IDQRHEAQLYGSJR-IBGZPJMESA-N 418.513 1.098 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1C#N 1479317233 KKLAIVFJDOEZAN-UHFFFAOYSA-N 424.534 1.957 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1507589034 TZZMUPCPGMGYER-MRXNPFEDSA-N 411.528 1.335 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1507619470 MYUKEEJKOMDFJL-HRAATJIYSA-N 418.542 1.486 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)OC 1507710936 XCYSKDZIHHKFJJ-HNNXBMFYSA-N 410.478 1.313 30 10 HDEE C=CCC(C)(C)Cn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1507915186 UHYCOXKTUJTGRN-UHFFFAOYSA-N 408.528 1.829 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507982756 MEENKAVRMFOIPH-AWEZNQCLSA-N 410.569 1.538 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)c(OC)c1 1508089051 DEOWZSCAFVDMIB-INIZCTEOSA-N 415.494 1.738 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCC[C@@H](SC)C2)nnc1[C@@]1(OCC)CCOC1 1508096888 CSMGEYKVRPVYNN-OXQOHEQNSA-N 423.583 1.954 30 10 HDEE CNC(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC(C#N)CC1 1517584536 LWRLXIMLFNJKOF-UHFFFAOYSA-N 420.315 1.922 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)CC2=O)cc1Cl 1530034631 HJAXEIPBMMMXTE-DOMZBBRYSA-N 402.838 1.664 30 10 HDEE COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 1532903285 HCKBEPSLKPGEIK-QAPCUYQASA-N 410.430 1.619 30 10 HDEE CCC1(CC)NC(=O)N(CC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1=O 1536878843 JLFBVWKCTFBYTK-UHFFFAOYSA-N 408.462 1.686 30 10 HDEE COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cccc(C#N)c1Br 1538427084 ULCXDHOGWZBSBW-UHFFFAOYSA-N 423.311 1.183 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1539149545 YHLZRKWQFHFCNE-ZDUSSCGKSA-N 411.915 1.690 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN(C)CC(F)(F)F 1539153646 HJKGZUSHXFQDOO-KRWDZBQOSA-N 403.449 1.884 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1OC 1539239649 NXISFRWXNHOUSO-MRXNPFEDSA-N 415.519 1.326 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cncn1 1539290416 HLYHCRBOPWHTIZ-UHFFFAOYSA-N 416.489 1.902 30 10 HDEE C#CCSCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@]1(OCC)CCOC1 1539530610 JZWMHKGQGVFPLW-FCEWJHQRSA-N 410.540 1.147 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC(NC(C)=O)CC1 1539630194 ZKRMFDYJQJADCP-APWZRJJASA-N 411.510 1.821 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1539947162 JZENSHUFBNNPRJ-INIZCTEOSA-N 409.556 1.884 30 10 HDEE C=CCCCn1c(-c2ccccc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539991482 MCZYJUCRHXGHCZ-UHFFFAOYSA-N 421.509 1.555 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C1CCC1)C1CC1 1540108746 LUDKIHKJOPMDSH-MRXNPFEDSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1540874086 UUDZUDCCBFJXLU-SFHVURJKSA-N 412.542 1.658 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1540904019 ININBLPJPVKSMW-MRXNPFEDSA-N 424.567 1.606 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(N(C)C)CCSC2)n1 1542633312 GUWMNAGBSZRQQN-OXQOHEQNSA-N 413.551 1.815 30 10 HDEE CCn1c(=O)c2ccccc2n(CC(=O)N2CCc3c(CC#N)cccc3C2)c1=O 1543573709 RTGVAHPFLPUAGD-UHFFFAOYSA-N 402.454 1.834 30 10 HDEE CS(=O)(=O)Cc1cccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1544486688 KCHAEYBLXFTPPY-UHFFFAOYSA-N 410.448 1.920 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@H](C)O1 1546713889 PXLOFELSKLDKIT-BFHYXJOUSA-N 422.511 1.405 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1555190895 DEKLWHTZWQMBKE-HDMKZQKVSA-N 401.442 1.864 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1555797759 PBGCBOJJXJSWAC-HNNXBMFYSA-N 413.463 1.261 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@H]1CC[C@H](C(F)(F)F)O1 1558264697 XIATUGWMDFXQJX-NJZAAPMLSA-N 419.425 1.841 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1558675830 HFWWSSYZSJKUMK-JEOXALJRSA-N 406.508 1.847 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(CCc2cnccn2)CC1 1560091506 LDOVAAIZLIPAPJ-IBGZPJMESA-N 422.533 1.981 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1561841393 AXVLXOKLDIBWPC-UHFFFAOYSA-N 402.295 1.770 30 10 HDEE N#CCN1CCC(CNC(=O)c2cc(F)cc(I)c2N)CC1 1565737992 CXAMRXYORQOAPI-UHFFFAOYSA-N 416.238 1.978 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(Br)nc3O)C2=O)cc1 1568507700 GUABKFBXEGRSQY-AWEZNQCLSA-N 415.247 1.952 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](Cc2ccc(Cl)cc2)C(N)=O)c1 1568709331 DQJWVSKIFAOGLM-MRXNPFEDSA-N 423.853 1.603 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CCN1CCCS1(=O)=O 1587645888 QJKHWTANRXTGCM-KRWDZBQOSA-N 401.536 1.671 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1587857288 YANSLDIIURMABP-DLBZAZTESA-N 407.540 1.200 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1588265595 DUIOWRNSYAMQTF-CYBMUJFWSA-N 407.496 1.110 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](C)C1 1588388259 ZLMWLAHVOIGUGY-ZACQAIPSSA-N 409.556 1.507 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1588433607 QNAWSHKKQSRXNV-UHFFFAOYSA-N 415.519 1.312 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CC=CCC1 1589151233 VLQDVJRRDMTRFF-VQIMIIECSA-N 406.556 1.142 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1595522826 KTJZEBWSUNALJN-FOIQADDNSA-N 400.483 1.350 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OC)C(F)(F)F)C1 1595714484 OEHJVCRQUWRTJX-MCIONIFRSA-N 417.432 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC[C@@H]1c1nncn1C 1595797434 GLBKULJHDUFZGS-OAHLLOKOSA-N 405.528 1.616 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1595799060 WOKJKGSXQHYKFK-GVDBMIGSSA-N 409.556 1.056 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)cn1 1611189425 PQQBGYKPKRMBEF-YJBOKZPZSA-N 417.347 1.888 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1611308925 WGTMYZSLLBXTLC-QZTJIDSGSA-N 403.575 1.936 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1618502764 WDGKMCCAARYZLI-IRXDYDNUSA-N 421.505 1.304 30 10 HDEE COC[C@@H](F)Cn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1619619900 NJRFJGCAGQRTRX-HNNXBMFYSA-N 402.478 1.380 30 10 HDEE COCCCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1619814957 UVUUPPXDSGXQQV-PXNSSMCTSA-N 407.515 1.864 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCN2CCSCC2)cc1 1620350527 HXGXTBUGPGDXHW-UHFFFAOYSA-N 416.576 1.434 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 1620353095 FHBNDHMPDIPWPB-INIZCTEOSA-N 411.441 1.747 30 10 HDEE N#Cc1ccc(OCC(=O)NCCC(=O)NCc2ccccn2)cc1Br 1623902953 DZEOIERPPDYJRL-UHFFFAOYSA-N 417.263 1.917 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1 1624728554 RXGDZGNPGPHUNG-INIZCTEOSA-N 412.471 1.227 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(C(=O)CN2CCCC2)CC1 1626872759 FQAUCDPDOARLKF-UHFFFAOYSA-N 411.506 1.434 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)Cc2ccc(Br)cc2C#N)C1 1627561353 XEZHNIOXSPETQK-HUUCEWRRSA-N 424.295 1.960 30 10 HDEE C#CCOc1ccc(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)cc1 1627845210 KUWOWIDPXPMVHA-UHFFFAOYSA-N 421.862 1.368 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H](NC(=O)CNC(=O)c1ccc(C#N)cc1)C(F)F 1628177857 DDSXRHFRPBPFGQ-AWEZNQCLSA-N 410.421 1.953 30 10 HDEE COC(=O)[C@@H]1CC[C@H](C(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)O1 1629236808 YYBZJZNKLKCQHU-MSOLQXFVSA-N 411.462 1.404 30 10 HDEE C#CCN(CC(=O)N1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1)C(=O)OC(C)(C)C 1629841682 UOEPWBSGGKCNTC-CQSZACIVSA-N 403.439 1.873 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NN1C(=O)[C@H]2[C@H](C1=O)[C@H]1C=C[C@H]2O1 1632875906 ACCXSXQMSZCCGU-KBUPBQIOSA-N 408.332 1.853 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(N3CCC(C)CC3)cc2)CC1 1632965740 DRBCKTHIDFQPOH-UHFFFAOYSA-N 404.536 1.148 30 10 HDEE N#C[C@]1(F)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1633017891 DLPWNMTVMJNFJO-CYBMUJFWSA-N 412.166 1.345 30 10 HDEE C[C@H]1CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@](C)(C(F)F)O1 1633341908 OKEGIYXXBAFALI-FTLABTOESA-N 415.462 1.775 30 10 HDEE C[C@]1(C#N)CCN(C(=O)c2cc(I)ccc2-n2cnnn2)C1 1633640972 LSYNBSNRWMTWSA-CQSZACIVSA-N 408.203 1.643 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC[C@@H](C#N)C1 1634196668 GCQPRMYXJSRKIO-HNAYVOBHSA-N 421.519 1.913 30 10 HDEE CN1Cc2ccccc2[C@@H](NC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1=O 1634919345 YTVIRNDHLKODPA-WOJBJXKFSA-N 417.469 1.672 30 10 HDEE CCN1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)CC1=O 1635494565 JRFGHVKLKAXUOL-AWEZNQCLSA-N 413.457 1.318 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)cc1S(=O)(=O)NCC#N 1637811968 BHRRLCCOJWVOLO-HOTGVXAUSA-N 417.491 1.181 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1638678851 ULAKYYSDKBRHTG-JRMCHAMMSA-N 408.502 1.004 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H](C#N)CCc1ccccc1 1638991606 HJROUQIABPHVTR-DLBZAZTESA-N 406.504 1.726 30 10 HDEE Cc1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1S(=O)(=O)NCC#N 1639227103 PUJIKYKSMDMGFL-UHFFFAOYSA-N 413.381 1.536 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(c2cnnc(O)c2Cl)C1)C(=O)OC(C)(C)C 1640326003 XCIIXNJLEWEQJW-GFCCVEGCSA-N 409.874 1.401 30 10 HDEE N#Cc1cn(CC(=O)N2CCOC[C@@H]2c2cccc(Br)c2)c(=O)nc1O 1640542282 QNVLFDMTMBIOFQ-CQSZACIVSA-N 419.235 1.183 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)c2cc(F)ccc2F)cc1 1640610963 VOLGSXIFEZPQFY-KRWDZBQOSA-N 409.414 1.620 30 10 HDEE C#CCN1CCN(C(=O)CN(C)[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1643960976 RODNMKBRKFPYCK-AWEZNQCLSA-N 406.449 1.151 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1 1644281780 KRHXGQJYJUWURR-UHFFFAOYSA-N 418.346 1.928 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1644637873 BPPFBIGTPKPOHG-DZGCQCFKSA-N 417.453 1.586 30 10 HDEE N#Cc1ccccc1-c1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1644996201 GPZAGOLFGLFXFW-VXKWHMMOSA-N 411.527 1.501 30 10 HDEE CCN(C(C)=O)c1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cn1 1645291877 FTGNUPBKEUKCFM-UHFFFAOYSA-N 415.475 1.817 30 10 HDEE C#CCN(CC(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1)C(=O)OC(C)(C)C 1647891482 LULGGJXIXXCCBF-OAQYLSRUSA-N 408.495 1.554 30 10 HDEE Cc1cc(Br)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1N 1648790223 AYYWAXKVIKRPDL-UHFFFAOYSA-N 404.224 1.171 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)OC(C)(C)C 1649538209 AVVLDZDWPNQQHP-YWZLYKJASA-N 407.515 1.913 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 1653396767 MHQNJQVMKRJTEM-ADXZGYQBSA-N 419.547 1.939 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCc2ccnc(N(C)C)c2C1 1653817543 YNDJAOLRPFOYOY-AWEZNQCLSA-N 413.503 1.271 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1654466708 GQHSJAWPVXCHCL-UHFFFAOYSA-N 407.392 1.952 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@H](CCO)C2)n(Cc2ccccc2)c1C 1656541343 VXMVUAPXDUTAHG-UXHICEINSA-N 410.518 1.886 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)CC1 1657840225 JLTYAXHUXCURBT-HZPDHXFCSA-N 421.519 1.477 30 10 HDEE C=CCN(C)CCN(CC)CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 1658466579 UDFDMUCVNKOGNC-UHFFFAOYSA-N 422.595 1.656 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1)C(C)(C)C 1663654664 IPVXKNXWBPONEW-QZTJIDSGSA-N 408.520 1.991 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CC[C@@H](C)[C@H](CNC(=O)OC(C)(C)C)C1 1663717205 DWAJDDBLRAYVOC-HZPDHXFCSA-N 418.560 1.576 30 10 HDEE C=CCn1cc(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)nn1 1669875403 UVHZRXFXMKVBAJ-VWLOTQADSA-N 409.415 1.845 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N(C)C(C)C)cc2)CC1 1677265290 BWICJDHJUBKKLF-UHFFFAOYSA-N 406.552 1.612 30 10 HDEE CCOC(=O)c1ccc(N2CC(NC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2)nc1 1680029259 HSPZMEZYWOOZHQ-LJQANCHMSA-N 423.473 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1681226258 DJIBCXBDVYTRDF-HOCLYGCPSA-N 404.467 1.793 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1682036393 SFFWHQYWXAJUKL-FAYQHZLMSA-N 424.320 1.885 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 1682163159 WGMDNMBWHCGFKB-KBPBESRZSA-N 400.526 1.059 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@H](c3ccccc3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1686177432 DTBASASMODGIFN-SQWLQELKSA-N 401.410 1.912 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1689984485 QEUDSZQAWZBZMW-GDBMZVCRSA-N 405.524 1.423 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC(=O)N(C)C 1690003350 LCYASTPOJUCWEY-OAQYLSRUSA-N 401.511 1.260 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCC 1690043780 NOBQHVNXYFLEDJ-UHFFFAOYSA-N 404.474 1.691 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@H](OC)C(F)(F)F 1690077382 NMDBPOMPEYBURO-QWHCGFSZSA-N 408.446 1.607 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCSC1 1690093902 NPBYICOEZVKVQE-WOJBJXKFSA-N 424.567 1.273 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCn1cncn1 1690523531 DPPYOWRSIFYCDF-UHFFFAOYSA-N 419.493 1.979 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O)C1CC1 1690541196 RNCPRDCSEGVPPQ-UHFFFAOYSA-N 404.492 1.916 30 10 HDEE C=CCN(c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1690542265 IOFFQICWYBJCII-ZPHPHTNESA-N 408.466 1.360 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C)C1CC1 1690545398 QDRFNLHUBXJZIU-MRXNPFEDSA-N 404.540 1.999 30 10 HDEE C=CCN(CC=C)c1nnc(Cn2nc(C)cc2C)n1CCC(=O)N1CCOCC1 1690601365 ZKDZTJUFHTWIIL-UHFFFAOYSA-N 413.526 1.567 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1cscn1 1690670092 YSQLYOVUALQURR-UHFFFAOYSA-N 415.479 1.401 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC(=O)N(C)C[C@H]1C 1690753051 YTPTXOMXGVMUCD-VYDXJSESSA-N 409.556 1.588 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1691888891 OZAXBPFXBMSNTH-BRWVUGGUSA-N 422.555 1.334 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCCS(C)(=O)=O 1692529144 NTJMPVYUZJKRCA-IBGZPJMESA-N 424.571 1.761 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCOC[C@@H]2C)cs1 1693341092 IQPNOUAEAZYXJF-GJZGRUSLSA-N 403.556 1.950 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1695430547 HAXNOFOZIWDZCU-GOSISDBHSA-N 423.521 1.695 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCN2CCC(O)CC2)CCO1 1698492270 ASUUQYHAQFZSEH-QZTJIDSGSA-N 404.515 1.095 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CC1 1705500176 IHTMJZPTBXKLOO-IBGZPJMESA-N 408.550 1.626 30 10 HDEE C#CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OCC)CCOC1 1705539418 QHWPJRIWORCQQX-OAQYLSRUSA-N 413.526 1.404 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1705563824 GFZQDWHGUOIXQB-QGZVFWFLSA-N 417.535 1.784 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCN1c1cnn(C)c1 1705584553 OZSGUUJSFCZZGU-HXUWFJFHSA-N 414.517 1.739 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OC 1705604831 UWPIRNXCAWXVLH-OAHLLOKOSA-N 405.524 1.599 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)COCCO1 1705608417 QNEMLDHBKMEENP-HXUWFJFHSA-N 408.466 1.186 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1705635943 SEZLVMBBCXJYCB-NRFANRHFSA-N 414.941 1.420 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1705740376 JJONMUVFXIJMFX-LEWJYISDSA-N 419.526 1.382 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1705873104 XFNDECZEJBFCMJ-UHFFFAOYSA-N 419.507 1.744 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2CC[C@H]1C2 1705896299 IBBWBYKSPPWSHP-HOCLYGCPSA-N 415.519 1.640 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1708623783 VSPBGKVOPCGKSY-CYBMUJFWSA-N 409.494 1.995 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1709747115 DPNHXZFOCBDERU-INIZCTEOSA-N 402.524 1.992 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1712616970 NONXIFDKQWZNSB-UHFFFAOYSA-N 414.510 1.831 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1712617302 ZSTHHMQMUUKATE-LJQANCHMSA-N 403.414 1.779 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCSCCCO)CCN1C1CC1 1712884350 KKJMGTKRBDIFEG-QZTJIDSGSA-N 420.583 1.812 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccn(CC)c1=O 1722402836 FXHCIRDWKQLXDR-PMACEKPBSA-N 423.517 1.695 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC[C@@H](O)C1 1722427125 HJSLEDBTNKKZJU-HCXYKTFWSA-N 406.527 1.639 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(S(C)(=O)=O)CC1 1722433035 XWNRYGQXBHFSOE-UHFFFAOYSA-N 405.480 1.043 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1722462308 LVCKKAOZDNJACE-IXDOHACOSA-N 403.552 1.628 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1 1722499378 AYHREWWDNSLLNS-KSSFIOAISA-N 411.528 1.791 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cc(Cl)ccn1 1740580662 FRKPNYZYRATRRW-CYBMUJFWSA-N 410.931 1.987 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCc1ccn(C)n1 1740665377 ADQLHAHEBZPROK-UHFFFAOYSA-N 402.466 1.357 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCOC[C@@H]2CCCO2)CC1 1740693825 OEJAEMLUXRTKLX-IBGZPJMESA-N 410.522 1.681 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2CCCO2)CC1 1740701852 DUIGBHWPDRQGDA-AEFFLSMTSA-N 419.526 1.147 30 10 HDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@@H](C(N)=O)C1 1740719754 JYUGBDYCUIJTTK-QGZVFWFLSA-N 408.531 1.959 30 10 HDEE C#CCSCCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1C(C)(C)C 1740722997 NWANZUSUAVZCGR-UHFFFAOYSA-N 404.540 1.463 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740782151 FBYIEVLSZDOVCI-OALUTQOASA-N 416.570 1.881 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@]2(CCOC2)C1 1740786998 WFLRBMMEPHQRNG-HXUWFJFHSA-N 405.499 1.103 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)O[C@H](COC)C1 1740868647 PKNSOIDOAHGHJL-KKUMJFAQSA-N 401.533 1.095 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H](C)N2CCOCC2)C1 1740982493 WFIYRSFJLZLIQE-UYAOXDASSA-N 412.538 1.766 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)C1 1740982659 VPQLSRJYVUQBGY-GVDBMIGSSA-N 410.540 1.388 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@@H]1C 1741127700 GYDGUZXMRTZJLT-VTJXTGGHSA-N 413.478 1.852 30 10 HDEE CC(C)c1nnc(N2CC[C@@]3(CCCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1741357305 WLJZVCWWINJFIS-ZBMSZTRUSA-N 414.510 1.935 30 10 HDEE C[C@@]1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)COCCO1 1742016190 OPIUFXMSNXOJDM-FOIQADDNSA-N 417.441 1.530 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC1CC1 1743754186 SMKAJMSEHSCUFH-MRXNPFEDSA-N 422.537 1.911 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@@H]1C 1744696233 BKXXTEHUCRCPQU-CKJXQJPGSA-N 410.526 1.768 30 10 HDEE CCOCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1747288688 NPWSHQPGDHQDTE-INIZCTEOSA-N 402.499 1.450 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)NCC=C 1748940501 MMVXOYMNAZSLBD-IYBDPMFKSA-N 416.526 1.811 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1748957049 SJMBTFQAZOQRIN-UHFFFAOYSA-N 413.503 1.480 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CC(=C)Br)CC1 1748992618 BBGMPLIYRKTSQT-UHFFFAOYSA-N 401.312 1.928 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1749229996 SIZFBRBJNKMAFA-SFHVURJKSA-N 414.510 1.769 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nnc(CC)s1)C1CC1 1749508268 MUHDLKNNSXKGDH-LLVKDONJSA-N 411.557 1.505 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1749660033 MMWDEKAOZGWGQD-YJBOKZPZSA-N 415.494 1.496 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCOC2)c1 1750381164 KKFLLOCBTLZKCC-MJGOQNOKSA-N 424.505 1.572 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCOC2)CC1)N(C)C 1751121750 DTXWFSHLKHHGFC-AZUAARDMSA-N 423.565 1.925 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)COCCO1 1751304347 WLGAJPWVMNWHCV-UWJYYQICSA-N 410.478 1.324 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)CC(F)(F)F 1760115921 CWVYIJSOXICKII-OLZOCXBDSA-N 407.462 1.132 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760117331 ZJOMENAEOMOUTD-NVXWUHKLSA-N 419.526 1.747 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760151429 BDEFMCCJPDENMK-QGZVFWFLSA-N 416.551 1.861 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1CCn1cc(Br)cn1 1760164144 KXMNBSFRUXDFDQ-ZDUSSCGKSA-N 411.304 1.731 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCOC[C@H]1OC 1760209092 UVQPMDZQVWPVGE-PKOBYXMFSA-N 415.538 1.711 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCS(=O)(=O)NC(C)C 1760213826 STTJFBKZIXMYQD-UHFFFAOYSA-N 403.508 1.637 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2cnn(C)c2C)n1 1760252195 KRNGIRBIEDKVAI-UHFFFAOYSA-N 408.510 1.728 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC(=O)NCCc2ccccc2)CC1 1760253229 CHYCSAOCRCMOCK-LJQANCHMSA-N 408.550 1.906 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCCNS(=O)(=O)CC)CC1 1760401308 FORZOGRRFWQHHG-QGZVFWFLSA-N 411.572 1.904 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1ncn(C)n1 1760501211 JYYHMRXQNXMUQC-UHFFFAOYSA-N 410.482 1.405 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1760695508 IMLWJRMEUVTBQE-PMPSAXMXSA-N 412.485 1.734 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC[C@@H]1COCCO1 1760697901 YVPMYDDYIGBAPL-SJLPKXTDSA-N 409.494 1.918 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(C)C(C)C)CCOC1 1761292010 RYAINBNGISLGBA-FXAWDEMLSA-N 406.531 1.388 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1767552255 ALVNVIQIDPPBRX-LIRRHRJNSA-N 422.555 1.082 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](N(Cc1ccc(F)nc1)C(=O)c1cnc(C#N)nc1)CC2 1853526075 SWOWPJJIFDBYCZ-MRXNPFEDSA-N 419.420 1.176 30 10 HDEE Cc1oncc1C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853743396 MCOBLUVUONETCX-SFHVURJKSA-N 413.478 1.198 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@H]4CC=CCC4)C3=O)CC2)CC1 1853743569 OUWHBXZBSXLNSC-ICSRJNTNSA-N 412.534 1.944 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(c4cnco4)CC3)CCC2=O)CC1=O 1853783048 VCKPGZLNPZXEDZ-SJLPKXTDSA-N 414.506 1.654 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccccc3F)C(=O)C2)cc1 1854023761 FPMVTTZZEPSOTC-UHFFFAOYSA-N 401.419 1.300 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4ccccn4)C(=O)C3)C2)c(F)c1 1854196528 RQOJGVWBTVZTEZ-GOSISDBHSA-N 407.449 1.651 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CC[C@@H]2CCCO2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854625977 DINXRZQISKYGFI-ZBFHGGJFSA-N 405.476 1.265 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@H](C)C2=O)c1 1855722537 AHQQCBFIGQLJGM-CQSZACIVSA-N 413.455 1.629 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@H]3COc4ccccc4C3)C(=O)C2)cc1 1856369504 YDVQMZGMTBFGLK-LJQANCHMSA-N 405.454 1.859 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)C2(CCCCC2)C1=O 1856422196 RRNVOUSQRCPTEF-UHFFFAOYSA-N 411.430 1.941 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)[C@@H]3Cc4ccccc43)C(=O)O2)CC1 1856635891 VYTSZNKYOGFSFB-IAGOWNOFSA-N 403.460 1.239 30 10 HDEE N#Cc1ccc(CN2CCC([C@@H]3CC(=O)N(C(=O)[C@@H]4COCCO4)C3)CC2)s1 1856901936 JNZWMKKNVFURSD-QAPCUYQASA-N 403.504 1.622 30 10 HDEE Cc1ccc(C)c(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857035022 XECYRTJYQFNLQC-QGZVFWFLSA-N 403.504 1.858 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)CSC3CCCC3)C2=O)C1 1857108411 SFYKAPFXVHTPKX-QGZVFWFLSA-N 400.504 1.820 30 10 HDEE CS(=O)(=O)C1CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CC1 1857206015 VTGSZXZZLFIPFW-SFHVURJKSA-N 417.531 1.375 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)[C@H]2CCCS2)C1)C1CN(c2nccnc2C#N)C1 1857417432 ACUFRMNJURNLMR-WMLDXEAASA-N 414.535 1.129 30 10 HDEE CN1CCC(N(C)C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)CC1 1868784178 VWUYPVLUMRKURS-SFHVURJKSA-N 417.579 1.694 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2C[C@@H](C)O[C@H](C)C2)cc1=O 1870388249 NIDSBYIWMVQABL-HUUCEWRRSA-N 421.519 1.718 30 10 HDEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)N[C@@H]1CCS(=O)(=O)C1 1871287756 IZYDOUQSHSAEEM-LLVKDONJSA-N 401.853 1.332 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccccc2F)CC1=O 1874338534 UEHBIMILKGWPBI-RTYWOJFRSA-N 404.471 1.601 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCC(COc2nccnc2C#N)CC1 1891504537 KHFJKHFXQNZPGF-UHFFFAOYSA-N 404.434 1.470 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2CCC(C#N)CC2)cc1 1892320183 LAIAGMGGKHLIHN-IBGZPJMESA-N 418.519 1.950 30 10 HDEE C[C@@H](O)CN(CCN=C1CN(C(=O)OC(C)(C)C)CCN1)C(=O)OC(C)(C)C 1955811983 ZUVBGOCJHSMUBB-CQSZACIVSA-N 400.520 1.843 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1OC 1982283497 NXGWJTVMBQCINT-NEPJUHHUSA-N 413.334 1.839 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 1982286520 KZVDCQLLDXVZQI-RYUDHWBXSA-N 413.334 1.744 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)Nc1cc(Br)ccc1C#N 2060791314 AFPVZZGRDRWHED-UHFFFAOYSA-N 411.256 1.900 30 10 HDEE C[C@@H](C[S@](C)(=O)=NS(=O)(=O)c1cncc(C#N)c1)NC(=O)OC(C)(C)C 2118166224 IDUITFMUGRSWOU-FTJNGKRUSA-N 402.498 1.653 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1nc(Cl)c(C#N)s1 2127125838 LGCUICJOTCJPJM-UHFFFAOYSA-N 418.928 1.892 30 10 HDEE CCOC(=O)CS(=O)(=O)N(C)Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1 2157037413 FNYJHJFEDCPPBL-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE C[C@H](NS(=O)(=O)CC1(C#N)CCCCC1)C1(O)CN(C(=O)OC(C)(C)C)C1 2166329578 YBMPCOJYKHPWIA-AWEZNQCLSA-N 401.529 1.750 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CCNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2181217015 SVLAPOSCKZRCRC-CABCVRRESA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NCC1(CC(=O)N[C@H](C(=O)O)C(C)(C)S)CCOCC1 2195308340 XPSMTVPWFPNQCH-CYBMUJFWSA-N 404.529 1.976 30 10 HDEE Cc1cc(CNS(=O)(=O)C2CCOCC2)sc1B1OC(C)(C)C(C)(C)O1 2202300676 MPDLBMRDHLDFSC-UHFFFAOYSA-N 401.359 1.954 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@]2(C(=O)ON3C(=O)c4ccccc4C3=O)CO[C@H]1C2 2241417134 HZYBOJXIHVKPLF-YRVVQQKDSA-N 402.403 1.813 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NC1CN(C(=O)OC(C)(C)C)C1 2243399180 YHGNHNAQPQKUPD-UHFFFAOYSA-N 405.304 1.673 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2247917949 MRCAMMRZUTVHJQ-KBPBESRZSA-N 420.319 1.598 30 10 HDEE CON(CCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247919553 WXCMREDMZWKPOI-UHFFFAOYSA-N 424.307 1.248 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2255607580 AUOMZCUYPFVQGS-KSFYIVLOSA-N 423.326 1.119 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2255829683 TWPJENAQPHBJPG-QFBILLFUSA-N 424.354 1.970 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282135831 KSJFFEUPVBOHQC-LBPRGKRZSA-N 401.359 1.990 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@@H]2CO)OC1(C)C 2282500142 VUDBFCJASHEBAD-GFCCVEGCSA-N 402.347 1.119 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CCSC 2282509990 SHKDEXSVBWISMR-UHFFFAOYSA-N 401.359 1.978 30 10 HDEE CCc1nc(C(=O)NCCSCCCO)c(B2OC(C)(C)C(C)(C)O2)s1 2282522578 MPSBMODSVBYWBU-UHFFFAOYSA-N 400.375 1.850 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](C)[S@](C)=O 2282829872 LNXJMAKFNJHCNF-FTJNGKRUSA-N 421.415 1.791 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N[C@@H](C)C[S@](C)=O 2282833605 YHDSAPQJZSTEFT-CANCMXDXSA-N 401.359 1.340 30 10 HDEE CC(C)C[C@@H](N)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838882 VVIYMECUSLYNIT-GFCCVEGCSA-N 403.379 1.235 30 10 HDEE CO[C@H]1C[C@@H](N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282842320 WNCMUEMCRAYHES-TXEJJXNPSA-N 402.347 1.381 30 10 HDEE CC1(C)C[C@H](N)CN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846943 RBIBVSQUFLCHKC-NSHDSACASA-N 401.363 1.084 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H]1CO 2282861736 SEMMMJANDMZJHT-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CNC[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866892 QIEUHTCRTJYTKT-CYBMUJFWSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@](C)(CO)C(F)(F)F)OC1(C)C 2282881919 DXHJOLBELXQMLA-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE CNCC(C)(C)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288921138 CUAPGVOSSLYTGW-UHFFFAOYSA-N 402.391 1.807 30 10 HDEE CC1(C)OB(/C=C/CNC(=O)c2nc(S(C)(=O)=O)ncc2Cl)OC1(C)C 2289433783 VLTIZXHXNDQXCY-VOTSOKGWSA-N 401.681 1.451 30 10 HDEE CS(=O)(=O)c1cnc(N2CCCC2)nc1[C@@H]1CCCN(c2nccc(C#N)n2)C1 2296588055 ZPPGZMUZPPLZPX-CQSZACIVSA-N 413.507 1.526 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342066085 HTJZUUCZSMPZTI-WIYYLYMNSA-N 420.531 1.319 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@@H]1C[C@H]1C(=O)O 2359401109 UCAWUXAJFYSKEC-OUAUKWLOSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N[C@H]2CCN(S(C)(=O)=O)C2)OC1(C)C 2364907590 KSORKYZHKXELID-LBPRGKRZSA-N 401.725 1.480 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2365201702 KGRNTHTWOIOGMV-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2365205319 ADCTYHJDKFKEPG-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](Cc1ncns1)NC(=O)OC(C)(C)C 2365213659 VZLWHVOQMIXMEV-QWHCGFSZSA-N 416.569 1.389 30 10 HDEE C[C@@H]1C[C@@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365242245 XPCZXBNYWCQMFH-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365247930 HRVAAPDRYLLXAU-KBPBESRZSA-N 403.497 1.682 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367809229 LFGNWHBVNFRFBO-RDTXWAMCSA-N 402.557 1.599 30 10 HDEE CS[C@H]1CC[C@@H]1N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2381820551 RXIIDBWAVVPZJY-STQMWFEESA-N 401.363 1.234 30 10 HDEE C=CCN1CCN(C(=O)c2c[nH]nc2S(=O)(=O)Nc2ccc(OCC)cc2)CC1 28613 XUAKMJGTJCWWHU-UHFFFAOYSA-N 419.507 1.553 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)CC1 32274949 KZWGTIVNUPTRNR-UHFFFAOYSA-N 410.474 1.900 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC[C@H]2C(=O)Nc2nccs2)cc1 49656908 BBAYSJHURVJDDQ-HNNXBMFYSA-N 418.500 1.559 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(C4CCN(C)CC4)CC3)cc2C1=O 50801164 LRCULNBOEJPJNE-UHFFFAOYSA-N 410.518 1.757 30 10 HDEE Cc1cccc([C@@H]2c3c(nc(N4CCC(C(N)=O)CC4)[nH]c3=O)NC(=O)[C@H]2C#N)c1 72443887 KHHCFNXAORLFCT-GJZGRUSLSA-N 406.446 1.004 30 10 HDEE CN1CC(=O)N2[C@H](C[C@@]34O[C@]3(Nc3ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 103595730 KHIZOIVUANRQQJ-SPPOGVHBSA-N 405.410 1.577 30 10 HDEE in-vitro COC(=O)c1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1 254761399 BCJSRJWVSMOYKK-UHFFFAOYSA-N 405.410 1.851 30 10 HDEE CCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 409480466 WACSFGQMLPGCJW-GDBMZVCRSA-N 402.879 1.821 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 409552220 FIOVBFOPWUMJAK-UHFFFAOYSA-N 400.932 1.817 30 10 HDEE C[C@H](C(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1)n1cnc(C#N)n1 409640893 KRVYZEYAVZCTFW-CQSZACIVSA-N 423.506 1.523 30 10 HDEE COc1cc(OC)c2ncc(C#N)c(O[C@@H](C)C(=O)N3CCN(C(C)=O)CC3)c2c1 440091442 KTJPCBVEVRMOBB-ZDUSSCGKSA-N 412.446 1.582 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3)CC2)c1C#N 460521672 KLONOQILQXANFB-HNNXBMFYSA-N 414.539 1.557 30 10 HDEE CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461311603 RITPQVRFTMHCKL-MRXNPFEDSA-N 402.480 1.672 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1nnc2n1CCCCC2 480111017 CIRAMHDBUSWEJJ-KGLIPLIRSA-N 416.507 1.420 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3)c2C(F)(F)F)CC1 492436224 OFKZUGWWLMENIS-UHFFFAOYSA-N 421.423 1.951 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 500926681 QUWNUTUABNTUDA-HNNXBMFYSA-N 411.483 1.929 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cc1 506149133 BUGYDWFEACVINK-UHFFFAOYSA-N 406.471 1.584 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)N(CC)C[C@@H](C)C#N)CC2)c1C 509587493 MFSIZOARCBCWCF-AWEZNQCLSA-N 411.528 1.732 30 10 HDEE C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C1=O 520384095 RRJDLLFKPBVYJM-OAQYLSRUSA-N 424.482 1.683 30 10 HDEE N#Cc1cccc(OCCCCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c1 521106410 MSJIKMCPWOYEBN-UHFFFAOYSA-N 414.506 1.110 30 10 HDEE N#Cc1nccn1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 534068705 GDIVDVAPYVKCIC-UHFFFAOYSA-N 413.503 1.167 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(N3CCCC3=O)ccc2Cl)CC1 534878740 XDPCWYWZFXITAT-UHFFFAOYSA-N 404.898 1.527 30 10 HDEE CCOC(CNC(=O)Cc1cccc(C#N)c1)CNC(=O)Cc1cccc(C#N)c1 543917796 LZLYBJVANNFVNT-UHFFFAOYSA-N 404.470 1.853 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546189056 INQQZBCEHHFYLU-INIZCTEOSA-N 417.473 1.583 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(OC(F)F)cc3)CC2)n1 546918511 QGPRUYOOYHZGSY-UHFFFAOYSA-N 401.417 1.993 30 10 HDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)CC3(C#N)CCCC3)C2=O)c(OC)c1 561547258 LUKLIQZLDUYVNA-QGZVFWFLSA-N 421.519 1.808 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ccc(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 579070549 CPNUJYOUKMNDTN-IBGZPJMESA-N 401.444 1.565 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1ccccc1 603790940 ICADHFFNWNNXBQ-UHFFFAOYSA-N 415.518 1.958 30 10 HDEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(F)cc1 604458412 ORSIJYKCESURBB-INIZCTEOSA-N 408.480 1.886 30 10 HDEE COc1ccc(C=NN=C2NC(=O)[C@@H](CC(=O)NC[C@H]3CCCO3)S2)cc1OC 606348094 KWOVBEPHQZEPFK-CZUORRHYSA-N 420.491 1.311 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cccc3cnccc23)c1=O 611916142 KTMOKMUCNGENSN-UHFFFAOYSA-N 418.522 1.896 30 10 HDEE C=CCn1c(-c2ccccc2)nnc1S(=O)(=O)CC(=O)N1CCOC[C@@H]1C1CC1 677952706 XDVXUPTUJMDYOJ-QGZVFWFLSA-N 416.503 1.542 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(CC3CC3)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 725398714 VSLBIFPSVDCTDA-UHFFFAOYSA-N 420.384 1.874 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 739001769 DMBOXDGULFEYLF-MEUCICPISA-N 414.437 1.956 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N(C)Cc1cccc(F)c1 741339173 CHZQQOMPRXKRMF-HVCBDAARSA-N 403.410 1.632 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)NCCCN2CCCC2)CC1 742392665 NJQPXEPLRDHZCV-UHFFFAOYSA-N 419.551 1.024 30 10 HDEE CCOC(=O)c1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)sc2c1CCC2 743908640 FYMPRJRCOUTJFH-CYBMUJFWSA-N 416.503 1.551 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 744895904 XYBHPXYYHXIZFC-BONVTDFDSA-N 421.397 1.975 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2cc(C#N)cn2C)c1 751728304 LOOCEZLPNFFTAA-UHFFFAOYSA-N 418.475 1.723 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CCN1C1CC1 751955932 XWFCXKFSIAOICE-DOTOQJQBSA-N 416.909 1.766 30 10 HDEE COCCOc1ncccc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 756343040 WGDYPTWGADNCTQ-UKRRQHHQSA-N 405.455 1.987 30 10 HDEE N#C[C@H](C(=O)CN1CCOC[C@@H]1C[C@@H](O)c1ccco1)c1nc(O)c2ccccc2n1 763668266 YLLLXPSGXQDDDN-YXJHDRRASA-N 422.441 1.929 30 10 HDEE O=C1C[C@H]([C@@H]2CCCCN2C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CN1 765289091 ZHPSSYNPJBLZQI-HOCLYGCPSA-N 418.519 1.023 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3N2c2ncccn2)CCC1 784551171 PXHRZDGHFAPHPW-PMPSAXMXSA-N 403.508 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)n1 788695580 VSEVJNJETYPJKH-UHFFFAOYSA-N 416.503 1.246 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(N3C[C@@H](C)O[C@H](C)C3)ccn2)n1 790105432 IJZCTVRZQJXHNB-QZTJIDSGSA-N 411.506 1.814 30 10 HDEE C=CC[C@@]1(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CCCN1C(=O)OC(C)(C)C 790862653 KIGMKXMQAGAQJR-FQEVSTJZSA-N 419.482 1.794 30 10 HDEE C[C@@H]1CC[C@@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 795182756 GJAWTASNYFVHAZ-YBVISSGDSA-N 417.579 1.791 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NS(=O)(=O)N2CCC2)cc1 795300672 QUBZRTLOQJBHCQ-FBMGVBCBSA-N 400.526 1.642 30 10 HDEE COc1cc(N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc(OC)c1OC 798497439 NZHDCFVSOAMGCO-ZDUSSCGKSA-N 400.439 1.085 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21 803699511 FVIWNTRZMAGAOR-UHFFFAOYSA-N 416.499 1.422 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CN(S(=O)(=O)c1ccc(F)c(C#N)c1)CCO2 814397987 QEVLRBKORNMUNV-UHFFFAOYSA-N 411.455 1.708 30 10 HDEE COc1cccc2c1[C@H](C(=O)OCC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 814540152 OZZZQVHBFCECDA-MRXNPFEDSA-N 424.457 1.785 30 10 HDEE N#CCCOCCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 815248196 SJDDYJHQSBNBOA-CYMYHSCOSA-N 420.465 1.939 30 10 HDEE CN(CCc1noc(C2CN(C(=O)c3ccc(C#N)cc3)C2)n1)C(=O)c1ccncc1 823640439 DMLQUEICTQLDJE-UHFFFAOYSA-N 416.441 1.891 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 914680200 RDYXEMDUIVVSTR-CYBMUJFWSA-N 402.428 1.911 30 10 HDEE COCc1nnc(CSc2n[nH]c(NN=Cc3ccc(C(=O)OC)cc3)n2)o1 1084290599 OCVZXFPWTCAQQM-UHFFFAOYSA-N 403.424 1.859 30 10 HDEE CC1(c2ccc(CNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)cc2)OCCO1 1132237906 QGSWOWYIDKUPDK-UHFFFAOYSA-N 415.471 1.261 30 10 HDEE C=CC[C@]1(C(=O)NC[C@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1132491817 VXGWGXIGJUMLNR-WOJBJXKFSA-N 409.483 1.670 30 10 HDEE C#CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1134429258 VMSXNCMMUCFWEA-CWFSZBLJSA-N 421.519 1.176 30 10 HDEE COC[C@@]1(C(=O)NCc2ccc(C(=O)NO)cc2)CCN(C(=O)OC(C)(C)C)C1 1139231924 ALTLUBOTDQBLEK-HXUWFJFHSA-N 407.467 1.695 30 10 HDEE COc1cnc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(F)c1 1141411931 RWRXRBACCGLLKK-UHFFFAOYSA-N 404.423 1.248 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1 1152967759 OMOCGGXKVUFLSL-UHFFFAOYSA-N 407.879 1.825 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(C)[C@H](CO)Cc2ccccc2)ccc1F 1166403472 ZIMOVARRAAJSHW-KRWDZBQOSA-N 406.479 1.966 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2cccc3c(Br)cccc23)c1=O 1166524280 LFUPUMFTNCKSBZ-UHFFFAOYSA-N 400.232 1.838 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)nc1 1167477133 DTSFRXFXNMJSTH-UHFFFAOYSA-N 402.451 1.777 30 10 HDEE C[C@H](CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)NS(=O)(=O)c1cccnc1Cl 1175022616 ZFVLSRYHNRXXEF-MLGOLLRUSA-N 418.906 1.947 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCc1cccc2c1OCCO2 1178730004 MRJGZEQEGRDLTC-AWEZNQCLSA-N 415.471 1.355 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccnn2Cc2ccc(Cl)s2)c(=O)nc1O 1179715248 CRBVJFKDFGTOED-UHFFFAOYSA-N 404.839 1.809 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CC1 1180999773 FOEYVDCFEXATAB-MQMHXKEQSA-N 417.466 1.287 30 10 HDEE Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cn1 1212343273 BONSGDXSKNWXTL-CYBMUJFWSA-N 402.398 1.440 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 1224585685 VUXPNSVWRVDGMH-LBPRGKRZSA-N 404.945 1.077 30 10 HDEE CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2cccnc21 1233853720 QVHNIXXHNDGXIH-HZPDHXFCSA-N 400.483 1.802 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1 1275014354 QVVRLAQTYGUJGX-UHFFFAOYSA-N 410.434 1.860 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NC(C)C 1286369909 CUTJJDILAHWWGI-UHFFFAOYSA-N 417.539 1.222 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1286512339 JTUAXJHPYHOYPT-OXJNMPFZSA-N 421.567 1.354 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](COC)C1 1286562817 TWKYKWUZTMPVSK-SZMVWBNQSA-N 402.499 1.511 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1286712316 WEFCGOWWQMXOQW-KRWDZBQOSA-N 418.542 1.759 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1286781097 UWQLZQRGSPSVST-UHFFFAOYSA-N 412.494 1.136 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC2(CCN(C)C2=O)CC1 1286786070 WNCVXJRPENWQNB-UHFFFAOYSA-N 411.510 1.035 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC1([S@](C)=O)CC1 1288216959 HEVBVPJVXLZWTM-LJAQVGFWSA-N 414.535 1.689 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1288321830 MFDAGDCXNKRYDF-YLJYHZDGSA-N 412.450 1.560 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NCc2nnc3n2CCNC3=O)c1 1288369418 BNWXSTWUIWAPDX-UHFFFAOYSA-N 402.414 1.402 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1291303274 PRIGFIXEMDNKOS-RMYFCYLKSA-N 409.450 1.092 30 10 HDEE CC(C)(CC#N)CNC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1299139758 IPVKIFPDAUARKQ-MRXNPFEDSA-N 409.508 1.772 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300504002 HYZOGYYHBWGAFA-OAHLLOKOSA-N 423.564 1.509 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCn2ccnc2C1 1300553396 HBALMXVDVSJZDI-SFHVURJKSA-N 405.506 1.436 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1300630903 JGGCLLWSXIYNRJ-GOSISDBHSA-N 402.520 1.834 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@@](C)=O)CC1 1300665905 SCWGUNWPRLFONJ-GDLZYMKVSA-N 416.503 1.671 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1300756405 LNBFSMAJNFPIAH-IBGZPJMESA-N 402.524 1.336 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1300767455 YSLKJIIYXAWCJA-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F 1300970187 PSLFRSWAUBWLCY-SKRLDKQVSA-N 409.364 1.954 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1300972539 MIIYDKOAOBCLRH-NRFANRHFSA-N 418.542 1.506 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301578741 HKQKKZFMNHMOIQ-GVDBMIGSSA-N 419.551 1.603 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1301952056 GCSBRQGKYCZBOP-RBSFLKMASA-N 423.543 1.380 30 10 HDEE COCCOC[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1302193980 IEYJXLFHMPXQEC-WMLDXEAASA-N 414.466 1.231 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2Br)CC1 1302924795 RMLDZQFEJBRGMD-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)N(C)C 1303629102 HKSWVSFEUZJQAB-CYBMUJFWSA-N 420.495 1.304 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1305318222 XNKFJNJFAMWSBH-DYESRHJHSA-N 411.510 1.884 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)C(C)C 1306197682 BQLKYOLURJDGEC-UHFFFAOYSA-N 410.526 1.596 30 10 HDEE Cc1ncc(CSCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 1307403159 BLKCSGCWXKRTAH-UHFFFAOYSA-N 420.516 1.621 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CCNC(=O)C1 1310939262 XGCVAYLSVAXTHA-UHFFFAOYSA-N 411.428 1.718 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1313484931 KITFREMRLVEMGG-DLBZAZTESA-N 401.515 1.222 30 10 HDEE CCOCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1314283029 MMDSVFHADUMJFX-AWEZNQCLSA-N 416.482 1.797 30 10 HDEE Cn1ncc(CCCn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)n1 1314932898 PTHMRUYGVAQMSB-UHFFFAOYSA-N 421.509 1.872 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1315079109 QQARRHLLNNOZHM-JTSKRJEESA-N 422.489 1.684 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)c(OC)c1 1315425681 AEROKKOGPUBDPO-MRXNPFEDSA-N 414.466 1.217 30 10 HDEE CS(=O)(=O)CC1(Cn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1316341331 KTYYRERCTMQQAR-INIZCTEOSA-N 407.540 1.737 30 10 HDEE COCCOc1cc(OC)ccc1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1349463701 KYCBWTNMLMYGIQ-UHFFFAOYSA-N 401.423 1.404 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1358869707 TYZAEGKKSWPYJY-INIZCTEOSA-N 400.527 1.763 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1358960397 DFJHRYJKTUUGHS-ZBFHGGJFSA-N 420.564 1.058 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CC1(O)CCOCC1 1358973726 CVDOREXNBFQSGG-UHFFFAOYSA-N 424.501 1.967 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1CC(=O)N1CCN(c2ccccc2)CC1 1358995540 VQAJHLXCLBYANW-UHFFFAOYSA-N 404.518 1.652 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H]1CN(CC(C)C)CCO1 1359024818 WPBRNZSOBOVQHJ-WOJBJXKFSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H]2CCSC2)CC1 1359029684 DYAAUUJFNZVYIE-WIYYLYMNSA-N 419.595 1.827 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@]1(O)CCO[C@@H]1C 1359238207 CFVUCGJWNGNEQG-SPLOXXLWSA-N 410.478 1.354 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCc2cc(Cl)ccc2C1 1359298911 PFNBHFIQKIGOMU-MRXNPFEDSA-N 414.897 1.748 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H]1c1nncn1C 1359302737 RUHZGDDJJREVMY-INIZCTEOSA-N 407.482 1.036 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@]2(OC)CCOC2)C1 1359313887 SSKYEHQCNKMOKD-JRGCBEDISA-N 422.526 1.517 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cnnn1 1360478605 MBWQEDXDPWLEJA-ZDUSSCGKSA-N 401.425 1.962 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)CC1 1360790548 AWMIXYGDBQUBCQ-MRXNPFEDSA-N 405.524 1.657 30 10 HDEE N#C[C@]1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CCSC1 1442987502 MLTAENGDWZEYIX-QGZVFWFLSA-N 411.505 1.032 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)N(CCC#N)c2ccc3c(c2)OCCO3)cn1 1443248125 BUZYJYKGIPLVME-UHFFFAOYSA-N 402.432 1.785 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1449164096 LDKABBNBFLRYCE-MSOLQXFVSA-N 403.479 1.392 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1 1449309104 NFZZNILQVBBUID-MRXNPFEDSA-N 416.478 1.573 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1cccc(S(=O)(=O)NC3CC3)c1)C2 1456732231 FXDYSLCTULMDTO-UHFFFAOYSA-N 402.501 1.841 30 10 HDEE COC(=O)Nc1ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(Cl)c1 1457199657 KSUGPYSOSPFBCO-UHFFFAOYSA-N 403.782 1.349 30 10 HDEE COc1cc(CNC(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)ccc1C#N 1459856367 IDQPLZUAYLVWLR-UHFFFAOYSA-N 400.439 1.613 30 10 HDEE Cc1cc(NC(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)n(CCC#N)n1 1464376274 HGISNUSFIYACNV-HNNXBMFYSA-N 418.498 1.807 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N1C[C@H](C(N)=O)[C@@H](C(N)=O)C1 1466816187 ICVICMYMHRAFHM-QWRGUYRKSA-N 411.256 1.064 30 10 HDEE COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1471356116 DVXNEPDNUIGBGO-AWEZNQCLSA-N 401.444 1.120 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN3CCOC[C@@]3(CO)C2)n(-c2ccccc2)c1C 1473833038 RDFDOZPBEDWYBZ-QHCPKHFHSA-N 423.517 1.283 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](N3CCOCC3)CC2)c1 1475437212 MGIOFMXDACGWQL-GOSISDBHSA-N 407.536 1.478 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CC=CCC2)c1 1504132166 QBOIFLZMUSHPGX-HXUWFJFHSA-N 424.505 1.953 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1507583085 NVKWMFRATNLZKY-KBPBESRZSA-N 421.523 1.677 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507611817 PUJYHBOOQPVMBJ-HUUCEWRRSA-N 401.433 1.852 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC=C 1507671216 HGIMDXHSDYUHLK-GOSISDBHSA-N 419.551 1.430 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1507732171 TWUXMIHMGFUBGB-RTBURBONSA-N 416.570 1.480 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507750573 ZHOMCUPCUWZTNA-OAHLLOKOSA-N 413.507 1.112 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCN1CCOCC1(C)C 1507759605 KOXJFSBFKPVZNU-OAQYLSRUSA-N 402.543 1.519 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCn1cc(CO)nn1 1508420428 SVCUBSZPKBYJDN-CYBMUJFWSA-N 415.889 1.763 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2OCC[C@H]2C)CCOC1 1509816469 NFLIBYFMDJTUJW-AXVVYFOYSA-N 405.499 1.472 30 10 HDEE CCn1cccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)C[C@@H](C)C#N)c1=O 1515790808 LMQKUKYEILIUIU-AWEZNQCLSA-N 423.477 1.832 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCc1cnn(C)n1 1519294394 KEBORNKARHJFKI-UZLBHIALSA-N 416.530 1.893 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)c3cnn(CCC#N)c3C)CC2)c(OC)c1 1526488375 MPXAHOINRLSEME-UHFFFAOYSA-N 411.462 1.721 30 10 HDEE COC(=O)[C@H]1CSCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1535048187 BDBWRIRHARPCTI-IUODEOHRSA-N 407.879 1.682 30 10 HDEE CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1538310313 UTCPEJYYWIVLAU-FFJFPXHCSA-N 403.504 1.037 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1Cc1ccc(C(N)=O)nc1 1538992390 QKRMCQZXNYREFJ-AWEZNQCLSA-N 420.473 1.962 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1539086535 IACQRDNHALXFDN-NHCUHLMSSA-N 417.510 1.765 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOCC(C)C)[C@H]1CCS(=O)(=O)C1 1539216654 UZOHFXPYMRYRHQ-KRWDZBQOSA-N 419.551 1.963 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1539342954 CIOHTNRTJSMKMU-LBPRGKRZSA-N 411.557 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[C@H]2OC)CC1 1539476879 GXEJMOXGNWGWCG-PKOBYXMFSA-N 423.521 1.516 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2c(F)cccc2F)n1CCS(=O)(=O)NC 1539558886 PEEPZXJZAITZQR-LJQANCHMSA-N 423.489 1.688 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1539812375 NSQCYIQAIJGMMV-OLZOCXBDSA-N 420.926 1.737 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539978097 XBVZJGHLYFRKIV-OAHLLOKOSA-N 401.471 1.750 30 10 HDEE C=CCCCn1c([C@@H](C)OCCOC)nnc1N1CCc2nn(C)c(=O)cc2C1 1539983331 XDXIAKRJTURYTR-OAHLLOKOSA-N 402.499 1.625 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cnnn1C 1540188961 DERODKJSNJWZAG-UHFFFAOYSA-N 424.509 1.963 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)=C(C)C1 1540907426 WNVSGJUPYCWPPS-UHFFFAOYSA-N 407.540 1.548 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1540908214 RWBDIUAYVJJBCY-CABCVRRESA-N 404.540 1.148 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cccc(CO)c1 1541907756 DLKBIILJBQBGLC-KGLIPLIRSA-N 406.512 1.167 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1544817086 BNWDEYUDISHMJE-HNNXBMFYSA-N 404.463 1.760 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(F)(F)C1(OC)CCOCC1 1546533313 NQBOYKANNJOXKA-MRXNPFEDSA-N 424.496 1.848 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccn3)n2CCCCN2CCC[C@@H]2CO)CCO1 1555994657 YHSXROCNGQSGMP-MSOLQXFVSA-N 411.510 1.306 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1557664594 HWUYSOOSADKHTO-JCCBSZJCSA-N 418.494 1.809 30 10 HDEE C=C(C)C[C@@H](NC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(=O)OC 1557938965 WSHKFBVYQLEYLQ-ZIAGYGMSSA-N 418.512 1.035 30 10 HDEE COC(CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1)OC 1558323526 VQPULHMPHCYAKF-UHFFFAOYSA-N 421.519 1.569 30 10 HDEE COC(=O)Nc1ccc(CNC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1 1559452816 AVGWSGSQGMWWED-UHFFFAOYSA-N 411.418 1.020 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1562051064 OYTCXFDAHJAJMX-CABCVRRESA-N 415.899 1.826 30 10 HDEE CCCN(CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)C(=O)OC(C)(C)C 1564476418 RPKKCKOXPFWRDQ-KBXCAEBGSA-N 414.528 1.213 30 10 HDEE N#C[C@@]12CN(C(=O)NC[C@@H](OC3CCCC3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1565042008 ZDRNQCTVBDXYSH-LNSITVRQSA-N 409.430 1.456 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 1566153172 QJWDTCVGLDCUJN-UONOGXRCSA-N 410.496 1.488 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1568992335 DYRGSWIKZBVSQR-YOEHRIQHSA-N 411.480 1.581 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(C[C@@H]3CCCO3)CC2)c1 1583516362 QUPNZVPTHHUHPV-IBGZPJMESA-N 404.532 1.811 30 10 HDEE C[C@]1(C#N)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCO1 1585432179 XILZOEMDBIVQAI-IBGZPJMESA-N 402.476 1.100 30 10 HDEE COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1585475747 BHUKUTXVDVMFQP-OAHLLOKOSA-N 407.488 1.969 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)c1 1587259170 ICSUHWUUUOLHNI-UHFFFAOYSA-N 406.485 1.692 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(N2CCOCC2)CCSC1 1587975019 KBCAOKUNHBZFKI-NRFANRHFSA-N 412.563 1.926 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1587988893 DGFKESTZSLHRGT-GOSISDBHSA-N 404.430 1.402 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1588161970 DOKHYESINLRFDU-NRFANRHFSA-N 413.909 1.650 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1-n1ccnc1 1588224458 ZMSCXKLENCFPMO-IBGZPJMESA-N 413.485 1.926 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1594732958 JXBAAJMSELAGDA-INIZCTEOSA-N 413.544 1.888 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N(C)C(C)C)CC1 1595562287 STFYUXCJLQRXPU-UHFFFAOYSA-N 402.543 1.616 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1611315344 WJPHLJDJNPMRGF-GUYCJALGSA-N 409.537 1.218 30 10 HDEE CN(CC1CC(F)C1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1618050274 GFQAYQSLWKHTKU-ROKHWSDSSA-N 407.471 1.877 30 10 HDEE CN1C(=O)CO[C@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)[C@H]1c1cccnc1 1618077828 LZBCVAQEONIDTO-RTWAWAEBSA-N 420.469 1.674 30 10 HDEE N#C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccccc1Br 1618520079 REZPQDJMSWXBTM-CQSZACIVSA-N 405.256 1.712 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)/C=C\c1ccccc1C#N)CCS2(=O)=O 1618580614 GUKRPJFJPCQHMA-PPEAKEANSA-N 402.472 1.587 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCC3CS(=O)(=O)C3)C2)C1 1625304737 FKHAYQKRGUAIAF-HVEKOLDVSA-N 411.524 1.324 30 10 HDEE COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)[C@@H](O)c1ccc(C#N)cc1 1625571915 CIUZXACAJKYREX-IBGZPJMESA-N 415.471 1.474 30 10 HDEE Cc1cnc(CCNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1625996977 ZHSRFDOQXSRHRZ-UHFFFAOYSA-N 415.519 1.743 30 10 HDEE Cn1cc(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c(O)nc1=O 1627108895 RKPRCXGCOBMJAW-RNFRBKRXSA-N 421.244 1.729 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(O[C@@H]3CC(=O)N3)cc2)cc1 1627429937 YJLPVHQLXCHVLI-GOSISDBHSA-N 401.444 1.628 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CO)c2csc(C(C)C)n2)c1 1627951088 MDZYTJMMBNZBIA-HNNXBMFYSA-N 407.517 1.641 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccc2c(=O)n(CCc3ccccc3)c(S)nc2c1 1628370317 OKUDENYXBDHWPN-MRXNPFEDSA-N 424.482 1.648 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)NC)CC1)c1ccc(Br)cc1 1628542841 KIINXGLYVCEATQ-OAHLLOKOSA-N 414.325 1.416 30 10 HDEE C=CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1629260074 HTGJCAVNUUFTPR-DOTOQJQBSA-N 408.462 1.837 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCO1 1630200306 LLTSWFTYBWOACU-FMPZLKCCSA-N 421.494 1.564 30 10 HDEE C[C@H](CC(=O)N1CCOc2ncccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1633528923 GWJSJJRFCOJMNJ-CYBMUJFWSA-N 400.460 1.320 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](Cc2cncs2)C(=O)OC)c1 1633891769 FJQQTHHGDMXDHW-MRXNPFEDSA-N 406.485 1.454 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)nn1 1634259916 LGGVSGUTRPFZDG-UHFFFAOYSA-N 411.466 1.611 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1C#N 1634789518 BDPDLOKTSLKANC-HZMBPMFUSA-N 400.298 1.768 30 10 HDEE C#CCN(CC(=O)N1CCCC[C@@H]1COC(=O)N[C@H]1CCOC1)C(=O)OC(C)(C)C 1636105145 ZCLBKMODTSFYAS-DLBZAZTESA-N 423.510 1.753 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1636632223 TVISDFMTZFPSNO-HZPDHXFCSA-N 407.511 1.981 30 10 HDEE CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1637513296 MLFYXFOYGFADSW-INIZCTEOSA-N 402.838 1.961 30 10 HDEE O=C1[C@H](NC(=O)C2(NS(=O)(=O)c3cccc(F)c3)CCCCC2)CCCN1O 1637667960 QPBUFUSZALRTPE-OAHLLOKOSA-N 413.471 1.303 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CCCO2)cn1 1638859694 HDAXEUFPCMJHCX-IRLDBZIGSA-N 408.506 1.845 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)s1 1640452231 YGMIMUHMOZQWGP-LSDHHAIUSA-N 413.565 1.077 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(Cc3cncs3)CC2)c1 1642011688 SZNOUDXVHFFTEO-UHFFFAOYSA-N 404.517 1.013 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCC(B4OC(C)(C)C(C)(C)O4)CC3)CC2=O)cn1 1643829760 CSTUKFVRTAOQJV-CQSZACIVSA-N 402.304 1.858 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCN(CCc2cnccn2)CC1 1644188077 HEHZRDPBQBWLLD-UHFFFAOYSA-N 406.490 1.844 30 10 HDEE Cc1nc(N2CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)n[nH]1 1644242029 YHIPHVHTXHYXLG-HNNXBMFYSA-N 405.503 1.739 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCO[C@@H](CNC(=O)NC)C2)s1 1645615669 FPEIDDNDUPROMI-LBPRGKRZSA-N 418.972 1.995 30 10 HDEE C#CC[C@@]1(C(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)CCCN1C(=O)OC(C)(C)C 1653475017 LXTXZMMAJYVAHB-NRFANRHFSA-N 416.478 1.915 30 10 HDEE COC(=O)[C@H](NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1ccc(C)c(C)c1 1654668105 AEMOQVFTMUUBFL-PZJWPPBQSA-N 400.523 1.800 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)c([N+](=O)[O-])c1 1655901794 CDJUDPIETGOTAW-GOSISDBHSA-N 402.432 1.952 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(c3nnc(C(F)(F)F)s3)CC2)CCOCC1 1658308247 OUVHEEFOVVKQLE-GFCCVEGCSA-N 405.446 1.750 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cnn(-c3ccccc3S(C)(=O)=O)c2)CC1 1659431178 YLMYWFYZKXSTTF-UHFFFAOYSA-N 401.492 1.495 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCCN3CCC4(C3)OCCO4)CC2)c(F)c1 1676251221 AJBKZDPKEZFJRO-UHFFFAOYSA-N 418.469 1.699 30 10 HDEE CNC(=O)NC1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC1 1681804376 HQTGPLAHEGQDAB-UHFFFAOYSA-N 400.483 1.746 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@H](NC(=O)NCC(=O)NCC#N)c1ccccc1 1682372967 CCZGZFKCENXABT-INIZCTEOSA-N 403.483 1.972 30 10 HDEE C#Cc1cccc(CNC(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c1 1682842327 VNRXWRKHJLOQTP-UHFFFAOYSA-N 400.479 1.546 30 10 HDEE C#CCN(C(=O)NCCCS(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1684465747 LOAFGNWLYHTTPA-UHFFFAOYSA-N 401.529 1.465 30 10 HDEE N#Cc1csc(CNC(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)n1 1687729970 YAAXKSFLEOPYGD-ZDUSSCGKSA-N 411.443 1.221 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1689986620 UDZJWBDXEWDPNA-INIZCTEOSA-N 411.487 1.917 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1snnc1C)[C@H]1CCS(=O)(=O)C1 1689988317 MROWHNWIGZHGKY-AWEZNQCLSA-N 406.537 1.381 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1690330962 PHHAIEMVFAYVLR-CQSZACIVSA-N 412.922 1.749 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(S(C)(=O)=O)CC1 1690449593 LFOKJYDDWVNBRD-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCNC(C)=O 1694725897 UOAMPGKVVGEMBK-UHFFFAOYSA-N 409.538 1.951 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)CC1CC1)[C@@H]1CCOC1 1696631650 SBIDDBPNXLHYSL-GOSISDBHSA-N 415.519 1.867 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCC(=O)N2)C1)OC 1697758280 YSPNDZKSHATMCP-UWJYYQICSA-N 410.478 1.337 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nc(CC)ns2)CC1 1705530822 WFDSUPUFZIMPER-UHFFFAOYSA-N 409.523 1.889 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N(CCNC(C)=O)Cc1ccsc1 1705534044 XKCMIAVADMDOJT-KRWDZBQOSA-N 414.535 1.847 30 10 HDEE C#CCCCn1c(N2CCN(c3cccnn3)CC2)nnc1[C@]1(OCC)CCOC1 1705538870 BXPVSUWTLVLPNK-NRFANRHFSA-N 411.510 1.460 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cn(CCCCC)nc1C 1705551789 QYVPTHTYQVGZAZ-QGZVFWFLSA-N 418.567 1.993 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1nc(C)c(C)s1)[C@@H]1CCS(=O)(=O)C1 1705569804 KCHRWLUVZBHRGM-MRXNPFEDSA-N 419.576 1.979 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1nc(C)cs1 1705589561 SEXPYSNEADEECC-CQSZACIVSA-N 406.537 1.164 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705638797 XFYPORMAYAJXHU-MSOLQXFVSA-N 413.570 1.105 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCNc2nccc(C(F)(F)F)n2)CC1 1705640340 NXFYTXDMQVJIRN-UHFFFAOYSA-N 408.432 1.517 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1705648210 RYZORAKSRFXNEH-ZWKOTPCHSA-N 401.511 1.051 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1705726237 ACWWJFGAJRUCJF-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCCNS(=O)(=O)CC)CC1 1705783898 ZHSGAEJHCXSWPC-UHFFFAOYSA-N 418.567 1.996 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NC(C)(C)C 1705879556 CYFAVNTZEROOFD-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1706010993 YARYGTWFQMPJLG-HKUYNNGSSA-N 410.478 1.908 30 10 HDEE CCN(C)C(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1709898725 AONOLNXIMRJCBZ-YOEHRIQHSA-N 416.457 1.764 30 10 HDEE COCCCN(C)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@](C)(C#N)C1 1712379998 WSLLMOXKUYJCCE-FQEVSTJZSA-N 405.547 1.515 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1=O 1712485902 WJBPHDRFJUXKIQ-KRWDZBQOSA-N 414.466 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCc1cn[nH]c1 1722290722 AYMFMIZITLHPQQ-CQSZACIVSA-N 412.523 1.662 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)COC 1722355601 ZHHVSJKUKODUMW-JKSUJKDBSA-N 407.515 1.938 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)[C@@H](C)CC 1722376843 FIHYZWNYMPIKHZ-HTAPYJJXSA-N 418.505 1.791 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1CCCNC(C)=O 1722418235 JWINPTGXQPQBJK-UHFFFAOYSA-N 409.469 1.984 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCC[C@H](O)C1 1722427127 HJSLEDBTNKKZJU-VJANTYMQSA-N 406.527 1.639 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1722429041 MLZXOXZRJUMUPO-RBUKOAKNSA-N 423.517 1.921 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2nccs2)CC1 1722432882 ICVRFVAARFLBEF-FQEVSTJZSA-N 416.551 1.385 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1722699955 QQLKXPWLDOZWDQ-UHFFFAOYSA-N 416.501 1.613 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCOCC2(CC2)C1 1722705776 HTYPEQDNPMTMOA-UHFFFAOYSA-N 415.469 1.915 30 10 HDEE C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1726539943 FZHSKMUXRBZYDB-YKCBXCCJSA-N 421.567 1.861 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1cccnc1OCCOC 1727608123 HOPCGTCUUCNEOV-SFHVURJKSA-N 411.510 1.486 30 10 HDEE Cn1cc(Nc2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)cn1 1729578950 GPLTYOBBCGCFMP-UHFFFAOYSA-N 422.449 1.065 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(C)COCCO1 1730302780 ZOLTVZWHJBQKFE-UWJYYQICSA-N 413.478 1.412 30 10 HDEE COC[C@@H](Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1)OC 1730467200 GCIYQEJONVKFSW-HUUCEWRRSA-N 401.423 1.064 30 10 HDEE COCCC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](F)(C#N)C2)CC1 1730642009 HOHKADWMCYCRIB-DYVFJYSZSA-N 414.507 1.147 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CC[C@H](CO)O1 1730763252 SXQQXGHBRSIZFG-DLBZAZTESA-N 400.483 1.555 30 10 HDEE CON(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1730972162 MXRDDWBXAMGRNK-GDYCRBJZSA-N 418.498 1.721 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C2CC2)C1 1731014382 HWSIMKRCEGAXIF-HNNXBMFYSA-N 400.508 1.917 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2COCCO2)CCO1 1731185914 HPZFYIYWGQKCMQ-HZPDHXFCSA-N 421.404 1.691 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1740533685 TVQVPHQYGLXEIC-ZMSDIMECSA-N 416.551 1.861 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1740566473 HMPRNZHIPYGEAS-GVDBMIGSSA-N 409.556 1.555 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CC(F)(F)CO1 1740607663 ZLQHBUMNHQNRQL-CYBMUJFWSA-N 424.477 1.732 30 10 HDEE C=C(C)COCCn1c(COc2ccc(F)cc2)nnc1N1CCN(C)C(=O)C1 1740797735 UJDKBDXUJOWZGZ-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@H](OCc2ccccc2)C1 1740960596 VSKKBBUORDCANJ-OALUTQOASA-N 411.506 1.880 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)c2cc[nH]n2)cs1 1742561758 MMBDCYCLDUPDQO-LBPRGKRZSA-N 413.511 1.525 30 10 HDEE CCc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)NC)cc1 1744330892 DSSWDPBEWHYSGL-UHFFFAOYSA-N 402.524 1.797 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1745191617 COFHOIKQXBZCRT-INIZCTEOSA-N 410.526 1.732 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc2c(c1)OCO2 1748685230 WFEPIOJKLMGHLB-OAHLLOKOSA-N 411.462 1.666 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1748731053 ZPHMLYJCIHZZMX-CVEARBPZSA-N 407.478 1.586 30 10 HDEE C#CCN1CCN(c2nnc(C)n2C[C@H](c2ccc(C)cc2)N2CCOCC2)CC1 1748977354 GTUAUIQUDPCMHJ-JOCHJYFZSA-N 408.550 1.724 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1748991272 VGZZFHSSLBIZSS-GOSISDBHSA-N 420.583 1.115 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCC(=O)NC)CC1 1748995039 XDJVCXIJJDBRRD-UHFFFAOYSA-N 410.522 1.365 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1CCCS(C)(=O)=O 1749017585 GMQPFZUXJIOGCX-HNNXBMFYSA-N 405.524 1.908 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1749022564 KJUKYFURDHUYSW-ZWOKBUDYSA-N 424.567 1.753 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H](OCCOC)C2)nnc1[C@@]1(OCC)CCOC1 1749282029 RYZWRQOCQPBNDT-MAUKXSAKSA-N 400.907 1.924 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)n1 1749471152 KMDXJAWNHPONQJ-UHFFFAOYSA-N 415.523 1.732 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C(C)C)N1CCOCC1 1749485687 WZDPCTYWEWNTAY-QGZVFWFLSA-N 416.526 1.985 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1749677044 LSZKCVKIELIUIL-IBGZPJMESA-N 416.570 1.472 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 1749684265 USBDJGOCGJSCGH-OAQYLSRUSA-N 424.549 1.942 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COC)C1 1749726814 FVTXYEVEFNUCEJ-QGZVFWFLSA-N 415.519 1.890 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1749822582 WEWWNHJYBVUMRC-OXJNMPFZSA-N 420.514 1.121 30 10 HDEE N#CC1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC2CC2)CC1 1750385268 HQHUMZQSGWWBCH-UHFFFAOYSA-N 400.508 1.905 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](N2CCCS2(=O)=O)C1 1760152193 XWQKCOXSAYCOBD-GOSISDBHSA-N 414.535 1.758 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1760257742 HJIBSQUNCJQWET-IBGZPJMESA-N 409.538 1.297 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)OC(C)(C)C)CC1 1760258370 UTCKLRWYVCAFEA-UHFFFAOYSA-N 411.510 1.620 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H](C)N2CCN(c3ccccc3)CC2)CC1 1760262243 WFYNHSVQQZIHPK-NRFANRHFSA-N 421.593 1.806 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1760375808 WMJXWHVMEIJZSL-HNNXBMFYSA-N 424.933 1.098 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1760445440 JVXHUJSXYISWOE-SFHVURJKSA-N 420.558 1.959 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN(C(C)=O)C1)C1CC1 1760468751 GMVJTVMDNZVYSS-QGZVFWFLSA-N 400.527 1.927 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccccc2)C1 1760521587 XYRJJBAJZHATLQ-MSOLQXFVSA-N 408.506 1.600 30 10 HDEE CCc1nnc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CC#N)CC2)s1 1764687177 HSRJVFINKIRBIJ-CYBMUJFWSA-N 400.512 1.821 30 10 HDEE O=C(NCC1(C(=O)ON2C(=O)c3ccccc3C2=O)COC1)OCc1ccccc1 1772794790 XBASDPNHEPDZOK-UHFFFAOYSA-N 410.382 1.684 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)CCCN2CCS(=O)(=O)CC2)c1C#N 1851586076 UTKDTEJMJCDBFE-UHFFFAOYSA-N 415.519 1.561 30 10 HDEE CC(C)(C)n1ncc(C#N)c1NC(=O)c1ccc(N2CCS(=O)(=O)CC2)cc1 1852094174 KLRNVTIHLXUOAO-UHFFFAOYSA-N 401.492 1.997 30 10 HDEE N#Cc1cnc(C(=O)O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)c(Cl)c1 1852396458 DUHPKWPDCDQPKD-RDJZCZTQSA-N 424.844 1.775 30 10 HDEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3cc(F)ccc3F)C2)ccn1 1853667395 ZOMWVZKQSDFMTC-HNNXBMFYSA-N 409.370 1.534 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2cccc(OC)c2)C1=O 1853683057 RJJXMKXEKSZGHR-RTBURBONSA-N 415.490 1.310 30 10 HDEE C[C@@H](CCC#N)N1c2ccccc2N(C(=O)CN2CCCS2(=O)=O)C(=O)C[C@@H]1C 1854251277 OILRFAISEKHBMU-HOTGVXAUSA-N 418.519 1.873 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)c2ccc3c(c2)OCCO3)C2(CCCCC2)C1=O 1854452174 DOSADSCOIHAIHJ-UHFFFAOYSA-N 411.458 1.928 30 10 HDEE C=CCCC(=O)O[C@H]1CON(S(=O)(=O)c2ccc3c(c2)CN(C(C)=O)CC3)C1 1854568291 AKQJYGQSCOWVHV-QGZVFWFLSA-N 408.476 1.405 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854631691 BAKCCEGOGZIHGW-LIRRHRJNSA-N 409.467 1.646 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1855423927 IKTDYXBCYXZFDM-PKOBYXMFSA-N 423.579 1.749 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(F)cc2)CCN1S(=O)(=O)c1ccccc1C#N 1855733811 BIJSDQBEFYGUQE-CQSZACIVSA-N 415.446 1.688 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](C3CCN(CCn4ccnn4)CC3)CC2=O)cc1 1855956070 BBUKAZMFJVTTNR-HXUWFJFHSA-N 406.490 1.480 30 10 HDEE CCS(=O)(=O)C1CN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856136541 DQWCHDDGEBXTJS-QGZVFWFLSA-N 423.922 1.656 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(S(C)(=O)=O)cc2)CCN1[C@H](C)CCC#N 1856261470 LXFNJGGDVNRZLI-CVEARBPZSA-N 405.520 1.774 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)Cn3cnc4ccccc4c3=O)C1=O)CC2 1856524881 LATSMRGYHCVWDI-YJBOKZPZSA-N 405.458 1.150 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cncnc1 1857001899 FSYPXWRGHPSAPN-INIZCTEOSA-N 412.471 1.935 30 10 HDEE CCn1nc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1C 1857074933 UDJCQITZSDKVMP-SFHVURJKSA-N 407.478 1.041 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2cnc(C)s2)C1)[C@@H]1CCN(C)C1=O 1857079379 CVWHWWDWWDZRFN-DOTOQJQBSA-N 404.536 1.478 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@@H](COc4ccncc4)C3)C2=O)ccn1 1857133095 BZDGQXZTBDVLOR-UZLBHIALSA-N 405.458 1.880 30 10 HDEE COc1cccc(OCC(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)c1 1857144121 GZNJDDBZZAOKIM-QGZVFWFLSA-N 400.479 1.123 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2nc3ccccc3o2)C1)[C@@H]1CCN(C)C1=O 1857262324 JYOXMBBMSZQYFT-NVXWUHKLSA-N 410.474 1.464 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3c(ccn3C)c2)C1)[C@@H]1CCN(C)C1=O 1857263727 ISAHWWDWNUXVAU-OXJNMPFZSA-N 408.502 1.886 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(Cc4ccccc4)C3)ccc21 1857326290 LVMZWDNTMIMITE-UHFFFAOYSA-N 409.467 1.879 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CC[C@](F)(C(=O)N(C)C)C3)CC2=O)cc1C#N 1857354920 COGBMCYHQNXQME-QVKFZJNVSA-N 400.454 1.358 30 10 HDEE CCN(c1ccc(NS(=O)(=O)c2ccccc2C#N)cn1)[C@@H]1CCS(=O)(=O)C1 1858438024 SOLDOGKIQFWVPF-MRXNPFEDSA-N 420.516 1.767 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCCC)cn1CCNC(C)=O 1870765315 POECZOURVLRTHV-UHFFFAOYSA-N 419.522 1.881 30 10 HDEE C=CCn1c(C(=O)Nc2cccc(OC)c2)cc2c(N(CCO)CCO)ncnc21 1873645893 DACPDGJSNGPGAE-UHFFFAOYSA-N 411.462 1.669 30 10 HDEE C#CCn1ncc(NC[C@@H]2COCCN2Cc2ccccc2)c(Br)c1=O 1880739149 SIFUSWVXBWLOQF-MRXNPFEDSA-N 417.307 1.952 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)ccc21 1889936690 PXRDCHQGSJQMCP-QGZVFWFLSA-N 412.471 1.704 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@]2(N)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914860172 GMCPEYHDBCGABA-ISKFKSNPSA-N 403.530 1.826 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 1985097129 BBMLODWPSMTJKH-BPCQOVAHSA-N 411.308 1.496 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)N[C@@H]1CC[C@H]1NC(=O)OCc1ccccc1 2044241540 FUXOAVHKZJHBNU-IAGOWNOFSA-N 400.460 1.876 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H]2NC(=O)OCc2ccccc2)c(N)c1 2044241790 JKTPUASKTRDXJP-SJORKVTESA-N 400.460 1.876 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@H](CC#N)C(F)(F)F 2046061984 LWVUTBSFQPFITD-IUODEOHRSA-N 421.372 1.775 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC[C@](C)(C#N)C1 2051632795 MTFNKNSYFMHIMA-MOPGFXCFSA-N 407.467 1.966 30 10 HDEE O=C(CSC1=NNC(=C2C=c3ccccc3=CC2=O)O1)Nc1ccc(Cl)cc1 2069371646 OSVVUNDWKMIGLG-UHFFFAOYSA-N 411.870 1.958 30 10 HDEE C=CCC(C[C@@H](O)CN1C(=O)c2ccccc2C1=O)(C(=O)OCC)C(=O)OCC 2140902666 WEQYUWCVVGCMJW-CQSZACIVSA-N 403.431 1.722 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2181055012 DJGGMYWVTBRGAP-ZDUSSCGKSA-N 419.569 1.562 30 10 HDEE CN1CCN(C(CN)(C(F)(F)F)C(F)(F)F)[C@@H](CNC(=O)C(F)(F)F)C1 2195024027 OJYHCCXAAVAWHI-ZETCQYMHSA-N 404.277 1.103 30 10 HDEE Cc1cnc(NC[C@H](O)CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2212743422 WZBJRGKHVMAARU-AWEZNQCLSA-N 407.320 1.987 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2217442712 YNVYIVUYPGUUBD-CVEARBPZSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243715736 CVGDKAUYHHXPGB-ZDUSSCGKSA-N 411.308 1.449 30 10 HDEE Cn1cc(C(=O)N[C@H]2CC[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247822238 CYHGRIYYGMHTSB-KBPBESRZSA-N 420.319 1.505 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSC[C@H]3CO)s2)OC1(C)C 2267372018 IKLAHFFNXGWDNU-LLVKDONJSA-N 405.372 1.146 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@@H]3CN)cc2Cl)OC1(C)C 2267416862 ULAPCDQVKQQFNI-KOLCDFICSA-N 406.766 1.716 30 10 HDEE C[C@H]1SCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703159 RNQJIICSADCGKL-MNOVXSKESA-N 404.388 1.756 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC(F)(F)CN)cc2Cl)OC1(C)C 2267704101 IANKCZUNDTXZRX-UHFFFAOYSA-N 416.708 1.573 30 10 HDEE CC1(C)OB(c2csnc2C(=O)NCCS(=O)(=O)C(C)(C)C)OC1(C)C 2281802119 IXSNCXKGRGIOMU-UHFFFAOYSA-N 402.347 1.385 30 10 HDEE C[C@H](CNC(=O)c1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2281806928 HPSNPAAIJOVARB-LLVKDONJSA-N 401.721 1.802 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H](C)CCS(C)(=O)=O 2281957971 CJIYFJMTJQPJOU-SNVBAGLBSA-N 402.347 1.304 30 10 HDEE COC[C@@H](CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282339371 XSOTZLSBJUONRA-GFCCVEGCSA-N 405.347 1.329 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCCOC2)OC1(C)C 2282499330 BYZPRHQESJFBDA-LBPRGKRZSA-N 402.347 1.288 30 10 HDEE CCn1cc(C(=O)N[C@H]2CCCCC23OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282534203 DNLVHVWTWMBZCJ-HNNXBMFYSA-N 405.304 1.618 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H]2CCCC23OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2282831813 FBZCKOYKQHWAMW-QGZVFWFLSA-N 423.340 1.868 30 10 HDEE Cc1cc(S(=O)(=O)N2[C@@H](C)CNC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282835660 XRYOADNZHKVTNR-STQMWFEESA-N 400.375 1.727 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCOC1 2282848953 UTOWXLXDGJFFLE-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE C[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1 2282854645 UPMUNEXXNWATRV-QWHCGFSZSA-N 400.375 1.808 30 10 HDEE CC1(CO)CN(S(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282875430 OQSKBCJFICUYNI-UHFFFAOYSA-N 401.721 1.642 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406112 UHQNJYWNBWAQCE-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284409960 PHBQUYUZIDDTJB-VIFPVBQESA-N 403.331 1.663 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)C=Cc2ccccc2[N+](=O)[O-])cc1 2325720110 LRXKLGRLHNOAIT-UHFFFAOYSA-N 403.416 1.183 30 10 HDEE CN1CCN(C2(C(=O)O)CCC(NC(=O)OCc3ccccc3)CC2)C[C@H]1C#N 2345154921 LMZVJEVDSHPVTO-IDYZSHNDSA-N 400.479 1.818 30 10 HDEE COC1(C#C[C@H](O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363630434 USUXJEWLFBJKCU-HOTGVXAUSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)C1 2365244628 USDZQGDDRSOAGU-CQSZACIVSA-N 403.497 1.540 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367804243 RETXDJHBIQVVKQ-HRCADAONSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2367809952 RZTOCLMOFQTVMH-OWCLPIDISA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CC(C)(NC(=O)OC(C)(C)C)C1 2367810177 UQTCTEIAORWJSZ-STJZUHDESA-N 400.541 1.353 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367811345 HFBANHYVKHLRTE-IIDMSEBBSA-N 400.541 1.435 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 105421971 PKUCXIRWUQAXLN-UHFFFAOYSA-N 424.549 1.738 30 10 HDEE N#Cc1nccnc1O[C@H]1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCC4)C1 219935852 XDIFOIUIFZTMQH-OLZOCXBDSA-N 424.486 1.110 30 10 HDEE Cc1ccc(N2C(=NC(=O)COCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1C 254382452 ZDMBMAQWDXCZAD-KBPBESRZSA-N 412.489 1.006 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 254439542 URKQCMABCFNQNR-UONOGXRCSA-N 414.480 1.678 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 430362511 FBLYJGGHUZMEEX-UHFFFAOYSA-N 404.492 1.610 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 448375890 POVQSJBCILUBLB-UHFFFAOYSA-N 408.524 1.034 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)C2)c1 465469544 TUAWQPCATQMVHN-KRWDZBQOSA-N 422.485 1.948 30 10 HDEE CS(=O)(=O)Cc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 469654541 FRFOWTMNJKCCTM-UHFFFAOYSA-N 417.466 1.991 30 10 HDEE CCOC(=O)C1(O)CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2CCCOC)CC1 471188966 ZTEFNLNTSCJVIB-UHFFFAOYSA-N 420.510 1.342 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 486346018 DXIYLGVYYIRTIC-WOJBJXKFSA-N 404.532 1.989 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCc1cccc2cccnc12 489863109 QXSSYKHTTJLKND-QGZVFWFLSA-N 415.501 1.766 30 10 HDEE COc1ccc([C@@H](CC(=O)N(CCC#N)CCN2CCOCC2)NC(C)=O)cc1 499338416 UUHBVOZVEOCSKV-HXUWFJFHSA-N 402.495 1.337 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3snc(C)c3C#N)CC2)C1 517110306 FSWNGADCWIENDE-CVEARBPZSA-N 419.551 1.635 30 10 HDEE Cc1cc(C)nc(SC2=C(N(C)CCO)C(=O)N(c3cccc(C#N)c3)C2=O)n1 526701236 YCJJULHMDOGZPY-UHFFFAOYSA-N 409.471 1.766 30 10 HDEE N#Cc1cc(Cl)ccc1S(=O)(=O)NCCN1CCN(C(=O)C2CCC2)CC1 533554932 OLPUBCPTNXQBOI-UHFFFAOYSA-N 410.927 1.434 30 10 HDEE COc1ccc(NC(=O)Cn2ccnc2C#N)cc1S(=O)(=O)N1CCCCC1 534054945 DRBBOVRPNSCBCD-UHFFFAOYSA-N 403.464 1.577 30 10 HDEE CC(C)(C)n1cnc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 541503935 NPOBEFABEJPFMP-UHFFFAOYSA-N 417.495 1.443 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccnc3)n2Cc2cccs2)CC1 549464511 AOOXCNDWYJPQTG-UHFFFAOYSA-N 423.546 1.874 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(Nc2cccnn2)CC1 559004464 NSIBZBOOHBHISJ-MRXNPFEDSA-N 401.515 2.449 30 10 HDEE CO[C@H]1C[C@@H](C(N)=O)N(C(=O)Nc2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 562129550 AKSDUSXHXMTWKR-ROUUACIJSA-N 407.430 1.917 30 10 HDEE C=CCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC)CC1 569649696 FZPMREXOVOECQO-UHFFFAOYSA-N 403.556 1.875 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)nc1 570002551 YQGHEXXCICRGOG-UHFFFAOYSA-N 420.244 1.786 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OC)n2)c1=O 574013406 UUBYZMPGZCBGMP-UHFFFAOYSA-N 413.499 1.222 30 10 HDEE N#Cc1ccc(CN2CCN(CCn3nc(-c4ccncc4)ccc3=O)CC2)cc1 585588639 PYERXGDKOCYYJW-UHFFFAOYSA-N 400.486 1.995 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@@](=O)CC(=O)OCCOC)cc21 586315606 WHJHUFNKTOGBDC-OIJAAMDRSA-N 409.460 1.108 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1 607200149 RRYJZBKEQHUWKZ-AWEZNQCLSA-N 415.537 1.392 30 10 HDEE CN1CCN(C[C@@H](NS(=O)(=O)c2ccc(F)c(C#N)c2)c2ccccc2)CC1 609134558 XUXRBHQKKCKGMP-HXUWFJFHSA-N 402.495 1.964 30 10 HDEE Cc1c(C#N)c(NC(=O)CN(C)CCN2CCCS2(=O)=O)n(C2CCCC2)c1C 610615088 OGDYSXVIEOKXIA-UHFFFAOYSA-N 421.567 1.998 30 10 HDEE COC(=O)c1cc(NC(=O)C(=O)NC2CCN(CC#N)CC2)ccc1Br 611381194 XMEBYHBJUOXIIK-UHFFFAOYSA-N 423.267 1.278 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](OC(F)F)C3)C2=O)cc1 611587537 XSLFSPQIFUZFCU-CABCVRRESA-N 406.389 1.993 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)c3ccc(C#N)cc3)ncnc1-2 729460402 LZIGHWFTNKHTBI-UHFFFAOYSA-N 400.240 1.213 30 10 HDEE CCOc1cccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)c1 743729664 CDRNKLSVIBSWDY-UHFFFAOYSA-N 423.494 1.918 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cnn(C)c3)c2=O)cc1F 748064415 QIUWNZYAANHKRV-UHFFFAOYSA-N 422.485 1.952 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)cn2C)NC(=O)N[C@H]1c1ccccc1 751730782 FMQIBKRBBACSDB-SFHVURJKSA-N 408.414 1.925 30 10 HDEE C[C@@H](C(=O)O[C@H](C(N)=O)c1ccc(C#N)cc1)c1ccc(S(=O)(=O)N(C)C)cc1 752612291 ABOYLCAJBUEZAT-ACJLOTCBSA-N 415.471 1.682 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291973 LWVYRKZZEWUEIE-MRXNPFEDSA-N 406.508 1.124 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCc2nnnn2C)C1=O 771543808 NOXINBCSQUQRMH-IRTSKDGHSA-N 407.525 1.011 30 10 HDEE CC(C)[C@@H]1C[C@@H]1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 772493944 FVRMGIKGSXZWCU-IRXDYDNUSA-N 419.503 1.226 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)c2cccc(C#N)c2)C1 777294576 INJVTGMZLZHUSC-UHFFFAOYSA-N 409.464 1.389 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C(=O)N(C)C)cc1 780630385 MKZWAPKDBOBCJC-CYBMUJFWSA-N 401.444 1.532 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cccc4cnccc34)c2=O)cn1 782924491 GURXOVKDRKDIME-UHFFFAOYSA-N 411.446 1.877 30 10 HDEE N#CC1(NC(=O)COC(=O)c2n[nH]c3ccc(I)cc23)CCC1 784230080 LAWHQUXPJIVQSZ-UHFFFAOYSA-N 424.198 1.887 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)C(=O)Nc2ncn(C(C)(C)C)n2)ccc1OC 784706567 TZKVNRIMISCWTC-CQSZACIVSA-N 414.466 1.978 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2ccc(F)cc2OCC#N)n1 787907027 BHGDISFRLONFQX-UHFFFAOYSA-N 420.422 1.659 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CCOc1ccc(C#N)cc1OC)S2(=O)=O 790030716 YXMVHUPWHLCKDK-UHFFFAOYSA-N 418.427 1.808 30 10 HDEE C[C@@H](C1CC1)n1[nH]ccc1=NC(=O)CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 796488951 GOZPERINXFRABB-GOEBONIOSA-N 402.499 1.659 30 10 HDEE C[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 797415825 GZNRMEIXALXATL-HYFFOGBASA-N 412.490 1.938 30 10 HDEE C#CCCS(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 808308867 DOAXAQIRFABVQL-IAGOWNOFSA-N 406.504 1.613 30 10 HDEE C#CCN(Cc1cc(OC)c(OCC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 809551143 RFNVZBAQLRJKQI-CQSZACIVSA-N 403.447 1.970 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1C[C@H](C(N)=O)CC[C@@H]1C 809907682 PMMKRSKGTRSJDD-DOTOQJQBSA-N 412.494 1.981 30 10 HDEE COc1cc(C=NNc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc(OC)c1 1084625376 VPCDWNUESCGHFO-UHFFFAOYSA-N 413.482 1.772 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1116546484 WQLZPVPAZPEGPL-CQSZACIVSA-N 417.325 1.921 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1Cc2cccnc2N2C[C@H](O)C[C@H]2C1 1118740547 NXMKRWVEOWVXMX-DLBZAZTESA-N 407.474 1.585 30 10 HDEE COc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(OCCOC(C)C)c1 1134429103 OIRMALWWVKPIFL-MGPUTAFESA-N 422.503 1.509 30 10 HDEE COc1ccc(N2C[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)c(OC)c1 1135005727 GQBINNPWCUROGE-GFCCVEGCSA-N 411.418 1.294 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCNC(=O)c1cccc(O)c1 1137473348 GMARSUYLAKPQCI-KRWDZBQOSA-N 403.479 1.935 30 10 HDEE O=C(/C=C/c1ccc(F)cc1)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1137638641 OGKWQEFZRASZSM-JEJOPICUSA-N 422.412 1.932 30 10 HDEE N#Cc1ccc(NC2CC2)c(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)c1 1138965877 BMIKMIBBJGNMLP-LJQANCHMSA-N 423.448 1.813 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)cc1 1142298176 BAGCGNXAWUXSEO-RBUKOAKNSA-N 407.474 1.869 30 10 HDEE CN(C[C@@](C)(O)c1ccccc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1142693835 GDPIHUYVWYWMST-OAQYLSRUSA-N 415.515 1.871 30 10 HDEE C=CCn1cc(C(=O)N2C[C@@H](NC(=O)OC(C)(C)C)[C@H](c3cnn(C)c3)C2)nn1 1142804722 BSTDORDILSQQOM-LSDHHAIUSA-N 401.471 1.331 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)C1 1156247177 HUVDDIIDZLYGEQ-OAHLLOKOSA-N 401.467 1.338 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)CN3CCCCC3)C2)C1 1162639748 DRHVJXUDXKAIIN-YHHIVYBXSA-N 420.554 1.736 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CC[C@H]3OCC(=O)N[C@@H]3C2)n(-c2ccccc2)c1C 1170903949 GFEZZAGPSGZZKB-RTBURBONSA-N 407.474 1.494 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCN([C@]2(C(=O)OC)CCOC2)CC1 1174716365 QHRRZOPHMLRESZ-DYESRHJHSA-N 421.563 1.601 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccnn3C)CC2)cc1 1176796748 QBZRZDVNGOEAHE-UHFFFAOYSA-N 404.492 1.008 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3ccc(N4NC(=O)CCC4=O)cc3)C2)nc1 1178460713 QBJCDQJNRUTYIY-QGZVFWFLSA-N 418.457 1.828 30 10 HDEE C#CCCNS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1186900349 DQDIWDFUAGJUDK-UHFFFAOYSA-N 407.229 1.688 30 10 HDEE C=CCNC(=O)CNC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1228741744 FGPAKOLOVIUHLM-OAHLLOKOSA-N 422.551 1.217 30 10 HDEE C=CCN(C(=O)NCCNS(=O)(=O)c1ccc(F)cc1Cl)[C@@H](C)COC 1235548735 ZLIHQSIAJQJUGC-LBPRGKRZSA-N 407.895 1.990 30 10 HDEE C#CCCCn1c(C)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1286341095 BNMDQXQEMCHKHH-PMPSAXMXSA-N 423.539 1.126 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1286374402 YJSAFDOUILZMLV-HNNXBMFYSA-N 400.870 1.580 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1286389516 LIDLHWOBGPIHGV-ROUUACIJSA-N 405.568 1.657 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1C[C@@H](C)N1CCN(CC)CC1 1286438648 HKKWNUFVQGXTSX-LJQANCHMSA-N 406.538 1.224 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C1CCCCC1 1286459535 QHDHWZKCKVKIFN-UHFFFAOYSA-N 413.526 1.556 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@]2(N(C)C)CCSC2)CC1 1286477231 SLIWQNZUPCKLIK-NRFANRHFSA-N 411.579 1.533 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 1286607579 IKGCEOLPKVLUQC-KURKYZTESA-N 424.567 1.921 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286619703 CQQQVWYLMNBCCS-IGQOVBAYSA-N 403.936 1.360 30 10 HDEE C=CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC(C(N)=O)CC2)cc1 1286794725 PDNCPZLMAVKGDH-UHFFFAOYSA-N 421.505 1.993 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC(CNC(C)=O)CC1 1286835134 RGBNGFOTBTXHMH-UHFFFAOYSA-N 420.583 1.672 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@@](C)=O)CC1 1287203499 LFWSHLFCCFVWJR-MUUNZHRXSA-N 400.508 1.848 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(N3CCOCC3)CC2)n1 1292627092 DQAGLAOQIVYNLU-UHFFFAOYSA-N 406.537 1.603 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNc1nccc(C(F)(F)F)n1 1300428846 PZLHVCFYMMFIFP-UHFFFAOYSA-N 422.415 1.504 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300458300 GSYFGTGIUZHLDD-MRXNPFEDSA-N 414.510 1.496 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1c(C)cccc1C 1300464406 DAEICJXKSXRQCC-KRWDZBQOSA-N 402.520 1.945 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1NC(=O)CC1(C)C 1300596783 WPCUKIWWGBFQHX-SCTDSRPQSA-N 413.522 1.380 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(CS(C)(=O)=O)CC2)CC1 1300698121 NXBWBQQTMCFICA-KRWDZBQOSA-N 421.567 1.100 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC(F)(F)F)CC1 1300700057 LFCMGKBQONEQPR-OAHLLOKOSA-N 401.433 1.854 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2(C(=O)N(C)C)CCCC2)CC1 1300711108 SJTTXZVUATXSFZ-GOSISDBHSA-N 414.554 1.533 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1300948789 ANTRBNKYLBNYAH-KRWDZBQOSA-N 417.558 1.186 30 10 HDEE C=CCN(c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1)C1CC1 1301322436 IYWRSUBBNDOGMI-QGZVFWFLSA-N 415.519 1.858 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCOC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1301519601 PVUJOJQYABORLG-SFTDATJTSA-N 419.526 1.238 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)c1[nH]c2ccccc2c1C#N 1303418286 CKRRZFALQOQVMD-UHFFFAOYSA-N 403.442 1.544 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1303687960 UNFAFXZXZKUDCB-QGZVFWFLSA-N 410.492 1.335 30 10 HDEE N#CC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C(F)(F)F 1303846292 GAYMFDJYFQWXPU-QWHCGFSZSA-N 400.357 1.508 30 10 HDEE COc1cnc([C@@H]2CCCN2C(=O)C2CCN(c3oc(C)nc3C#N)CC2)nc1O 1304663980 YONAOONVTJEJJK-HNNXBMFYSA-N 412.450 1.939 30 10 HDEE C#CCOCCN1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307844821 QTVFDNKUHHVVRR-ROUUACIJSA-N 406.527 1.504 30 10 HDEE Cc1ccc(-n2nc(C)cc2NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1308127543 DLSJZDXHPBGSCN-OXJNMPFZSA-N 413.503 1.298 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN([C@H]3CCC[C@H]3O)CC2)CC1 1312280565 FWIRCLMRGMQPFU-FUHWJXTLSA-N 403.552 1.829 30 10 HDEE CCN(CCC1CC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1313796205 FKHICSDKVFTLFN-ZZEZOPTASA-N 422.493 1.888 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)C(C)C 1316285949 XRMVZTVNYFZLNT-DOXZYTNZSA-N 408.478 1.216 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2ccccc2C#N)NC(C)=O)cc1 1317907720 ZINXFYLNCPUSHM-QGZVFWFLSA-N 401.444 1.639 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN2C[C@H](O)C3(CC3)C2)c(C(=O)OCC)c1C 1325881846 SWVQGTFMQPCALD-ZDUSSCGKSA-N 422.503 1.971 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc([C@@H]3CCS(=O)(=O)C3)n2)c1 1351039929 YBBUSFHRGRPAPD-CQSZACIVSA-N 417.512 1.324 30 10 HDEE COc1cc(C(=O)N2CCN(S(=O)(=O)N(C)C3CCCCC3)CC2)ccc1C#N 1354120618 FDHLQPPNTOJNBQ-UHFFFAOYSA-N 420.535 1.834 30 10 HDEE C#CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1358935420 IGVSEDMMKSWQGO-LPHOPBHVSA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN(C)C(=O)OC(C)(C)C 1358947184 UTFFBJMGKSTSGR-LSDHHAIUSA-N 404.515 1.802 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC(OCC)C1 1359020911 URHNVZZLAVUMMG-UHFFFAOYSA-N 409.490 1.833 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(=O)NCc2ccco2)CC1 1359040563 AGVCPWQIXBXARN-UHFFFAOYSA-N 412.494 1.277 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCN(CC)C2)CC1 1359043583 ZVJZTBHNHZJKMW-SFHVURJKSA-N 423.565 1.591 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1359177335 IYDVINVQZBXAMV-MRXNPFEDSA-N 402.524 1.962 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1359256133 WKDPRNGTZAVRQB-SFHVURJKSA-N 421.505 1.818 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)C1 1359320215 NMVCORRDJFGZRT-JKSUJKDBSA-N 416.526 1.317 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 1452855434 CHVIYCMRGVKVDR-MRXNPFEDSA-N 406.529 1.773 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@H](c2ccc(F)cc2)C1 1455440119 CMZXCJJAYGDVEA-LIRRHRJNSA-N 416.478 1.537 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1460221536 GQZXOUXBYYSGNR-MSOLQXFVSA-N 408.520 1.733 30 10 HDEE COC(=O)c1scc(C)c1NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1460834882 PUQXSEIAOSWBBP-PRXAMGSTSA-N 411.505 1.040 30 10 HDEE CNC(=O)Cn1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)cn1 1464308483 BNTFVBTWJDVQOG-GFCCVEGCSA-N 400.826 1.146 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)C(=O)OC 1464539601 KNBYRPMNTDNUIA-ZDUSSCGKSA-N 409.913 1.920 30 10 HDEE N#Cc1cn(CC(=O)NCCOc2ncc(C(F)(F)F)cc2Cl)c(=O)nc1O 1465366425 CJHYXGKCDIXIIV-UHFFFAOYSA-N 417.731 1.083 30 10 HDEE COC(=O)C[C@@H](C)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1465736588 OQJSXQPIBWQXLA-HZPDHXFCSA-N 410.515 1.669 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)c1ccccc1 1468970561 CQYAGVGIQDDPCY-GOSISDBHSA-N 401.492 1.247 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@]23CCCC[C@@]2(CN(C)C3)C1 1472416663 DPYNAQWGASNRSC-ORYQWCPZSA-N 416.547 1.559 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@H](CO)Cc2cc(F)cc(Br)c2)c(C#N)c1=O 1472800880 ABJJMWFZRAPTIN-JTQLQIEISA-N 411.231 1.110 30 10 HDEE COCCOCCOCCN(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1478403040 HLFBUVJYNQXWTQ-HOTGVXAUSA-N 414.503 1.066 30 10 HDEE CCCNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1501172719 BOROLUTZECTVAR-OAHLLOKOSA-N 403.512 1.279 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1504969488 DIFNUSXNUXPORN-CJNGLKHVSA-N 423.495 1.138 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)C1 1505314680 IMSQKKJVXYGFIZ-IINYFYTJSA-N 406.409 1.967 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1507531861 ALQIKLRHIYQKRS-AEFFLSMTSA-N 410.522 1.676 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1507533194 KXMXOUVOJBOPSV-RCDICMHDSA-N 419.489 1.128 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1CCC(OC)CC1 1507533341 JVSIDSFAQNTLBS-RDJZCZTQSA-N 402.543 1.577 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1507686962 ITMCYSDBOVSUAK-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCCN1C[C@H](C)O[C@@H](C)C1 1507710614 INVBNPJVIGCZGA-GBESFXJTSA-N 405.543 1.367 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1507744096 NNFGEERSJZNBPU-MRXNPFEDSA-N 420.583 1.525 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](CC)C1 1507954420 NIXBMVRJEACZJT-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1508061746 MMRFFGGMVAXRCC-UHFFFAOYSA-N 411.478 1.805 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2cccc(O)c2)CC1 1508139385 GCJTVRLFTQDAQM-UHFFFAOYSA-N 417.535 1.789 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCC[C@H]2C)CCOC1 1509818680 SOIDKZIKCVBNJB-DEPWHIHDSA-N 419.526 1.599 30 10 HDEE C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1512470855 CBOOASHJJAFPPY-CVTQAYBASA-N 423.477 1.015 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1516863739 SABKZZNXONPGQF-OLILMLBXSA-N 412.519 1.302 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1517044132 UYRQKJVACYPXHJ-SJLPKXTDSA-N 415.519 1.867 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](COC)C1 1519399479 UKXGKZPMCLNJTB-GOSISDBHSA-N 401.467 1.331 30 10 HDEE COc1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1S(=O)(=O)N1CCCC1 1524913039 SOXPAUSCLDKCGV-UHFFFAOYSA-N 400.460 1.928 30 10 HDEE C[C@@H](C(=O)Oc1cccc(OCC#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1525228891 XQTYKPBJLXFYNX-AWEZNQCLSA-N 403.435 1.962 30 10 HDEE N#CC1(CC(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCOCC1 1532053584 DHLGBSCDBULGPZ-UHFFFAOYSA-N 405.520 1.807 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)COc3cccc(Br)c3C#N)C2)cn1 1532182621 GWSSHNAQFXDHTN-LBPRGKRZSA-N 404.268 1.828 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C[C@@H]12 1533000062 YDVJLFLAKKTPIZ-KSZLIROESA-N 414.487 1.348 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1533757060 COWYTLIODIKUDC-OALUTQOASA-N 408.520 1.446 30 10 HDEE N#CC[C@@H](C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1ccccc1 1534105821 FOHNRAKSDNNLHI-QGZVFWFLSA-N 408.483 1.977 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(SC)CC2)CC1 1539489845 PDIRGQVJRQFEPA-MRXNPFEDSA-N 403.552 1.991 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCO[C@@H]1CCOC1 1541798451 JNCGGAZNCDYITB-HZPDHXFCSA-N 413.482 1.859 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@H]1CCOC1 1541923307 XCHUYKQQFAZSSX-CABCVRRESA-N 410.544 1.445 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCOCC2CC2)CCO1 1554442203 NEMSUEKQGLVTQO-IBGZPJMESA-N 424.505 1.585 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1554528335 NLJXRLDKEFHCJG-IERDGZPVSA-N 408.462 1.294 30 10 HDEE COc1ccccc1Oc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)nc1 1557601144 FWIIVWRBGUTICI-UHFFFAOYSA-N 407.386 1.446 30 10 HDEE C#CC1(O)CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 1557603581 PEDUARXHNGMLFS-UHFFFAOYSA-N 400.294 1.351 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)CC1 1558422655 HOIYLMNKTHVPSI-INIZCTEOSA-N 406.552 1.273 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 1567328151 NTTVFDXRFRTZGY-ZIAGYGMSSA-N 405.455 1.145 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCN(CCCO)C2)C1 1569251214 UBMFVYAVJDAFSQ-QGZVFWFLSA-N 421.339 1.720 30 10 HDEE COCCn1nnc2c1CCN(C(=O)Cc1ccc(Br)cc1C#N)C2 1569548367 RACUGFIMAWFZME-UHFFFAOYSA-N 404.268 1.686 30 10 HDEE C=CCn1cc(C(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)nn1 1583780990 NJOVLVDOMZAIEA-AWEZNQCLSA-N 403.483 1.259 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCO[C@H](C(N)=O)C1 1583798399 QAILJQNTRSAZKL-DLBZAZTESA-N 414.462 1.105 30 10 HDEE CC(C)c1ncc2c(n1)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1585391196 FYUORPGYQFNMTD-UHFFFAOYSA-N 413.503 1.990 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 1586009175 ARXFURLNEHGLSM-CYBMUJFWSA-N 401.492 1.559 30 10 HDEE CN1CCC2(CC1)CCN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC2 1586959624 JCTYLEBNTIYIBT-UHFFFAOYSA-N 404.536 1.827 30 10 HDEE O=C(C#Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCN(c2ccc3nncn3n2)C1 1587429118 NSBNQPIEMFYZQR-OAHLLOKOSA-N 400.364 1.890 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CCC1 1588012182 ZLJMCKRWLPJEAE-HHHXNRCGSA-N 405.549 1.640 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588049323 FBXOPTDRVMKBEM-FUHWJXTLSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1588112957 CVWQNHWTWDIMGG-HXOBKFHXSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1nncn1CC 1588138519 DYZNZOLXYBETHG-SFHVURJKSA-N 403.446 1.523 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1ccn(C)n1 1588627853 ALQBLHDAPNMLPW-UHFFFAOYSA-N 416.489 1.999 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1588646133 GXMFGEYLLWGMOU-RTBURBONSA-N 405.543 1.225 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn2ccccc12 1588695256 GJDHZRBIRXFRTR-PXNSSMCTSA-N 424.505 1.784 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CC(C)C)N(C)C)CC1 1588733433 SKIRVQJAXVUVMU-SFHVURJKSA-N 403.575 1.148 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccoc1C 1595550709 HXEGNJQIMRZTAE-HNNXBMFYSA-N 407.496 1.020 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@H]3CC3(F)F)c2)nnc1[C@@H]1CCCOC1 1595602875 SYROCKZDZCIWNS-OCCSQVGLSA-N 407.425 1.995 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN2CCOC[C@H]2C1 1595665104 OYYJXGCHGWFZSO-LJQANCHMSA-N 413.522 1.949 30 10 HDEE Cc1cc(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)no1 1611956043 HWUQOUVSOPMZDX-QFBILLFUSA-N 402.455 1.392 30 10 HDEE CC(C)(C)OC(=O)CC[C@@H]1C[C@@H](C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CO1 1616345880 CQLOVYRNIHIWNX-ORQRPPJRSA-N 407.467 1.156 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1617595662 OLSQESOVRKORDL-OAQYLSRUSA-N 423.477 1.326 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)c4c(c3)OCO4)C[C@H]1CS(=O)(=O)C2 1618171906 SDQAXUOHBWLSLO-ZUZCIYMTSA-N 413.249 1.188 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCCOCC(F)F)CCN1C1CC1 1620356873 LPBQHPOJBZJDTM-JKSUJKDBSA-N 410.469 1.978 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1)C(=O)OC 1622450200 LUOTZJZETILFKC-INIZCTEOSA-N 418.537 1.503 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(OC)(c3nccn3C)CC2)c1 1622515645 XFQMELKJKRHLQQ-UHFFFAOYSA-N 418.519 1.662 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1623239771 HFCNPCPWPZLMGQ-QGZVFWFLSA-N 405.474 1.646 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 1624503954 OBCSOXSXHAFNCX-YCRPNKLZSA-N 414.462 1.986 30 10 HDEE N#CCc1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1 1627487580 QADKAHDRZXBAQR-INIZCTEOSA-N 412.471 1.069 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](O)COc2ccc(F)cc2)c1 1630141214 GOSLAAOYDRNTNM-ZDUSSCGKSA-N 410.398 1.432 30 10 HDEE CCn1ncc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1630223514 XORFHYGYOZLMSS-OAHLLOKOSA-N 404.496 1.068 30 10 HDEE CCC1(N2CCOCC2)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1631392591 IGFLPRYXNREWIZ-UHFFFAOYSA-N 423.510 1.840 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1nccn1CC(F)(F)F)c1cc[nH]n1 1632454333 UCIKPWDMPOUZOM-UHFFFAOYSA-N 416.360 1.111 30 10 HDEE CSCC[C@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1635906126 YAEBYDAHGBZARG-YESZJQIVSA-N 406.552 1.341 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3cc(N4CCOCC4)ncn3)C2=O)cc1 1638428417 BYGWGIBQDSMOJS-KRWDZBQOSA-N 406.446 1.110 30 10 HDEE Cc1[nH]nc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1I 1639961288 BSWMUHQVFKLDSR-GFCCVEGCSA-N 410.215 2.000 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)nn1 1644557675 BOJYBYNKJYNKCH-OAHLLOKOSA-N 417.510 1.649 30 10 HDEE CNC(=O)c1c(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n[nH]c1C 1648098550 BUJWRGALQIDNEV-UHFFFAOYSA-N 417.267 1.787 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1649538665 SZEDRLHMXRLUJI-UWJYYQICSA-N 406.527 1.708 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 1654442895 OUOYZUVAUKZYLN-ZNMIVQPWSA-N 416.469 1.560 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)cc1F 1663866500 FPOAVCVSUXLJTK-UHFFFAOYSA-N 403.435 1.833 30 10 HDEE C#CCN1CCC(NS(=O)(=O)Cc2cc(OC)ccc2Br)CC1 1671635161 PXORMXRHOHACFQ-UHFFFAOYSA-N 401.326 1.975 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1672649153 QMPBFXGLMSNUDW-KRWDZBQOSA-N 404.511 1.808 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](Cc2ccc(OC)c(F)c2)C(=O)NC)C1 1673912949 KYSAMAQQEIEIFB-IRXDYDNUSA-N 404.486 1.136 30 10 HDEE C[S@@](=N)(=O)N1CCN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1682385244 TVPCOFRDIJFCJL-NDEPHWFRSA-N 404.540 1.441 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(C)[C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1684078254 UMAJVIFQYSHXBV-OXJNMPFZSA-N 414.506 1.548 30 10 HDEE Cn1ccnc1C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1684140967 DEQXYJOUBNVXHU-SQGPQFPESA-N 413.503 1.284 30 10 HDEE C#CCSCCNC(=O)N1CCC(n2nncc2I)CC1 1684770284 FFTMHMMAIFVNSK-UHFFFAOYSA-N 419.292 1.596 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)N[C@H]1CCO[C@]3(CCS(=O)(=O)C3)C1)C2 1685883360 KOLRQYHQQMFXAV-FXAWDEMLSA-N 403.504 1.557 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCN(C(=O)NCC(=O)NCC#N)C2)C1 1686403089 OJNCBPHMRCNSQM-HOTGVXAUSA-N 407.515 1.695 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC[S@](=O)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689979901 IWSCHNIPXJOVMW-WZQKQDCOSA-N 414.597 1.575 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCn1cc(Br)cn1 1690056247 LAOLTCNURAJFFY-UHFFFAOYSA-N 420.315 1.633 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OC(F)F 1690102537 NYLWGRDVWSVNMM-OAHLLOKOSA-N 419.432 1.965 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCNC(=O)C(C)C)CC1 1690130403 FRRWCMOWRSRXEI-UHFFFAOYSA-N 422.577 1.981 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690449870 SYKGNAGTFOATLZ-UHFFFAOYSA-N 417.514 1.293 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CCOC)CC1 1690673502 WWJKPHXSPAAEBE-UHFFFAOYSA-N 416.501 1.079 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1690715293 HRXUGBMRSAIQPZ-UHFFFAOYSA-N 423.583 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCO[C@@H](CCC)C1 1690722882 ZAVHBHCGKGWVQX-INIZCTEOSA-N 407.540 1.890 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCOCCN(C)C 1692658733 ZDTMDMQQMRDDKJ-HNNXBMFYSA-N 400.483 1.990 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1693916451 GAJILSMSBOUQJG-OAQYLSRUSA-N 421.509 1.433 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1696378290 MNQYFGWVQNYDQR-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O)[C@H]1CCOC1 1696629562 HATNHMAUSSPDLO-KRWDZBQOSA-N 416.507 1.077 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1CC1(O)CC1 1698050117 QEUCPILELCCFQH-UHFFFAOYSA-N 424.505 1.450 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705560498 LBQUHDIZCDGFCM-QWHCGFSZSA-N 424.445 1.191 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2(O)CCCC2)CC1 1705641012 NELBFIGEBVQLDT-UHFFFAOYSA-N 400.552 1.694 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](CCC)OC 1705843660 KTQOEAWUQQMXMG-HUUCEWRRSA-N 401.533 1.048 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(C(=O)N(C)CCCC)CC1 1705901867 YLVHMDPCVMBBJQ-UHFFFAOYSA-N 402.543 1.933 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1 1705905901 LFXDIQVLGYGMHP-UHFFFAOYSA-N 404.515 1.590 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)NC(C)C)C1 1705915864 XZIPRECTBJOTDJ-INIZCTEOSA-N 404.515 1.210 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705944077 UPFDQZBHRQQBQN-SJORKVTESA-N 420.583 1.449 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C)[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1706594009 RETHPUXTPQROAA-KPQZKFHNSA-N 415.498 1.035 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1708919017 BPVRAPSNFAOXIC-AEFFLSMTSA-N 415.519 1.671 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cccc(CO)c1 1710697585 CJSBLNBBEHAXIK-UHFFFAOYSA-N 420.473 1.890 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1711961469 KMIVBXNLZIMVCD-MRXNPFEDSA-N 412.494 1.845 30 10 HDEE COCC1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCC1 1712198604 GMVQBHIILDKORG-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CSCCS1 1722279594 UCRZLPPVMCOVAY-RWMBFGLXSA-N 403.599 1.195 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1722316206 DGPZBKTVSDKMIR-IRXDYDNUSA-N 416.551 1.711 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCCc1ccccc1 1722343007 BKRQBECDIMNVCO-QFIPXVFZSA-N 411.506 1.359 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(N2CCOCC2)c1 1722356759 KATUTKKHMMATQZ-UHFFFAOYSA-N 408.506 1.355 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)[C@H](C)CC 1722396511 JFIJIAIOLPSQJM-MSOLQXFVSA-N 405.568 1.373 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnccc2OC)CC1 1722441060 ODHYVHKRXMDXDC-UHFFFAOYSA-N 420.521 1.347 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCSC2)CC1 1722447723 MVRMJEUXLCWVAL-FUHWJXTLSA-N 417.579 1.891 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2cnnn2C)CC1 1722448933 IYESIZOCYKSTLS-UHFFFAOYSA-N 424.534 1.073 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCCCS1(=O)=O 1722467791 CVCNLJORUCMLMC-FUHIMQAGSA-N 424.567 1.962 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1722469750 FFIGEONAKNPHIV-HXUWFJFHSA-N 412.519 1.968 30 10 HDEE C=CCCOCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722627961 VANXTDAJAVYZDO-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(C)CCC1 1723952960 PQBOAWMPSPYXRN-HOCLYGCPSA-N 421.571 1.255 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1728187855 ZIUZYJPOPGDVGX-SJORKVTESA-N 424.461 1.847 30 10 HDEE CON(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccc(C#N)o1 1730966127 WDQHNJDORJRPLA-UHFFFAOYSA-N 416.463 1.706 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@@H](C)C(=O)NCC(C)C)CC1 1733370398 HZYBJNCPDVGUGG-MLYQTUFZSA-N 401.551 1.497 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)NC 1740555992 PYRSPIJGVJODRL-AWEZNQCLSA-N 400.508 1.357 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCCC(=O)NC2CC2)c1 1740564263 HDJTUUUXAUKGLW-UHFFFAOYSA-N 408.506 1.956 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1740622471 YOGAQGVRJWYAHU-DNVCBOLYSA-N 405.524 1.451 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1740624930 LBEQYUBPFDJRPI-LJQANCHMSA-N 424.530 1.701 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1740660062 DMEAMNHKAWWKIT-NDEPHWFRSA-N 400.508 1.686 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740717320 PAQLYCQTMKYRQD-UHFFFAOYSA-N 415.567 1.820 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740800562 GBYXFLNIVFLTKM-CYBMUJFWSA-N 403.936 1.572 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1740889162 ZNOQIUISTAXRDL-FXAWDEMLSA-N 424.567 1.780 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740948685 YADSSWZFPKQRSC-UHFFFAOYSA-N 408.462 1.319 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C(=O)NC 1741000470 AUOIYXOQTBEJHX-ZDUSSCGKSA-N 420.539 1.743 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(N)=O)c1 1741131453 BIXODHXXYUUUSR-INIZCTEOSA-N 419.489 1.772 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(C)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748812142 QTTQHZNCLBDPMG-IRXDYDNUSA-N 418.567 1.630 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCC[C@@H]1C 1748892666 USDHPLFHCREFLF-SQGPQFPESA-N 404.536 1.194 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCC[C@@H]2C)CC1 1748987279 RMCVXWQJYWBFAR-IBGZPJMESA-N 410.570 1.698 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC(C)(C)C)C1 1749697109 HLYHGYNXTGWWAR-CABCVRRESA-N 415.560 1.485 30 10 HDEE C[C@@](O)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1cccs1 1751241510 GUFAEJAMGSYVGJ-AUUYWEPGSA-N 400.508 1.938 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1751982957 NGMRDJKCEWCVIV-MRXNPFEDSA-N 411.510 1.062 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1760226323 QLDLOUSKIATQGW-UHFFFAOYSA-N 415.242 1.877 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(CN(C)C)c2)CC1 1760258927 FCUKDKMUBLCXBM-NRFANRHFSA-N 408.550 1.647 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H]3C)n2CCN/C(O)=C2/N=CC=CC2=O)n1 1762452042 VLLDSSXDLHPIFJ-DNTCVELPSA-N 424.509 1.655 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C 1764995523 HPKKSYKOSSIWOT-SFHVURJKSA-N 404.478 1.622 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N(C)C)C[C@@H]1C 1769896014 FACODJNEIFEBMA-ROUUACIJSA-N 411.554 1.924 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1769994144 HTJWAWBGVGIZRL-UZLBHIALSA-N 424.521 1.555 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1771532558 FSXYJKXJDDUWCY-DNVCBOLYSA-N 414.466 1.693 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@@H](c1ccc2c(c1)OCO2)N1CCOCC1 1848959783 BUIGCKXMYSZQGB-KRWDZBQOSA-N 415.471 1.639 30 10 HDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cccc(C)c1)[C@@H]1CCN(C)C1=O 1849201842 RFWRPCNMFSTJHX-RTBURBONSA-N 421.563 1.933 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](COc3ncc(Br)cn3)C2)CC1=O 1849302484 DLZIGIPENJWLLZ-ZIAGYGMSSA-N 423.311 1.891 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCC(COc4cc(C#N)ccn4)CC3)CC2=O)cn1 1850618810 DQQFGYWYJXLJIT-KRWDZBQOSA-N 408.462 1.357 30 10 HDEE N#Cc1cnc(NC(=O)c2ccc(N3CCC(N4CCOCC4)CC3)nc2)c(C#N)c1 1850804254 FIMFQEWLFNHTIM-UHFFFAOYSA-N 417.473 1.773 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc3n(n2)CC(F)(F)C3)CC1 1851444254 VGFJVEJTXLPMCC-UHFFFAOYSA-N 402.405 1.320 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1)C(=O)C2 1851652866 QYCGQPZICNMFRC-FQEVSTJZSA-N 423.494 1.316 30 10 HDEE O=C(C1CCN(Cc2cnc[nH]2)CC1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852157297 JPYBDUQOMZRQRN-UHFFFAOYSA-N 407.418 1.492 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4O3)C(=O)C2)cc1 1853889372 YGZTXBMVGGRKKQ-HXUWFJFHSA-N 405.410 1.252 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(C[C@@H]3CCCOC3)C3(CCCCC3)C2=O)CC1=O 1854006794 AADDRSLPZVWCHT-RBUKOAKNSA-N 417.550 1.821 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2=O)cc1 1854025687 PALJZRDNIULINP-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(C)n(CC)n2)C1=O)[C@@H]1CCN(C)C1=O 1854249042 PJHHAGUKXTWDPU-ZWKOTPCHSA-N 401.511 1.451 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@H]1CCN(C2CC2)C1=O 1854254980 FUDMMWWHUJWANW-UGSOOPFHSA-N 414.893 1.842 30 10 HDEE COc1cc(C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)c2ccccc2n1 1855072183 CSCHFJSTJISKHJ-MRXNPFEDSA-N 407.474 1.516 30 10 HDEE CN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCCC3)C2=O)CC1=O 1855619357 KRMPRNVPLDNAOW-OAHLLOKOSA-N 414.531 1.972 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@H](N(C)CCC#N)C2=O)cc1 1856551800 AGGOKRJIFOPGDV-SFHVURJKSA-N 420.535 1.694 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cn2cnc3ccccc32)C1=O)[C@@H]1CCN(C)C1=O 1856749219 YFESFZYSRUBAJQ-RBUKOAKNSA-N 409.490 1.273 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(C[C@@H]4CCCOC4)C3)CC2=O)cc1C#N 1856862857 YSORDMOQLPXWOW-RXVVDRJESA-N 410.518 1.652 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@@H]1COCCO1 1857019464 QBRBIWYGAQBGJC-QAPCUYQASA-N 420.487 1.247 30 10 HDEE Cc1oncc1C(=O)N1CC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857033104 OUFJMNGIMNAIEL-SFHVURJKSA-N 409.446 1.782 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(CCCC(C)=O)CC3)CC2=O)CC1=O 1857053307 LXOYMSPOGOZAFD-RBUKOAKNSA-N 403.523 1.477 30 10 HDEE COc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1C 1857057015 RPFIXFFURONSNL-QGZVFWFLSA-N 419.503 1.558 30 10 HDEE C=CCNC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C1 1858376267 KPCTZAAYAWEDFZ-QGZVFWFLSA-N 405.520 1.626 30 10 HDEE CCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cccn(CCC)c1=O 1861281214 KEYXLFLNQQATTA-QGZVFWFLSA-N 406.527 1.709 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCO)=C(N)Oc2c1c(CC)nn2CC 1864327290 SGSNSWLQZIIBBX-KRWDZBQOSA-N 412.490 1.833 30 10 HDEE CSCC[C@@H](NC(=O)CC[C@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866929532 QKOZGKJTVAVNMT-DOTOQJQBSA-N 423.560 1.950 30 10 HDEE COc1ccc(C(=O)NCC(=O)Nc2ccc(C#N)cc2)cc1N1CCN(C)CC1 1868161423 RFHQBYKMUWQWRC-UHFFFAOYSA-N 407.474 1.687 30 10 HDEE C=CCn1cc(OCC(=O)NC2CCCCC2)c(=O)cc1CN1CCN(CC)CC1 1870492260 ODXOJWJLRYKWOI-UHFFFAOYSA-N 416.566 2.000 30 10 HDEE C=CCn1cc(OCC(=O)NCCCC)c(=O)cc1CN(CCOC)CCOC 1870516404 IZJHHBZQKRYCFA-UHFFFAOYSA-N 409.527 1.424 30 10 HDEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873591927 XPSHJJIQISHCEQ-UHFFFAOYSA-N 416.482 1.272 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)[C@@H]3COc4ccccc43)CC2)CC1 1889365355 HPODNTZSLYMXPO-JOCHJYFZSA-N 411.546 1.811 30 10 HDEE COc1ccc(Br)cc1S(=O)(=O)NCCN1CCC(C#N)CC1 1889971996 NIWBGWXVHXCROE-UHFFFAOYSA-N 402.314 1.972 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](CO)CNC(=O)OC(C)(C)C 1900166218 OBDCSBUVYCXDJN-AWEZNQCLSA-N 401.504 1.707 30 10 HDEE CC[C@H](C)[C@H]1NC(=O)[C@](O)(C2=Cc3c(oc(C)c(C)c3=O)[C@@](C)(CC)C2=O)C1=O 2069682327 VBTZAIPQSNXYCM-RMTQZBLASA-N 401.459 1.735 30 10 HDEE C=CCC1(C(=O)O)CN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2108228710 QKKBHOGYURGWDP-SFHVURJKSA-N 424.450 1.303 30 10 HDEE COc1sccc1S(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2110095571 UISUIRDVZKSBHB-UHFFFAOYSA-N 403.316 1.130 30 10 HDEE NC(=NO)c1cc(Br)cn(C[C@]2(Br)CC2(F)F)c1=O 2137777474 SVWZSVSUJUFUCO-SECBINFHSA-N 401.005 1.878 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Oc2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2217467745 JDVLULPQEPOPCK-ZDUSSCGKSA-N 419.287 1.800 30 10 HDEE C=CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](S(N)(=O)=O)CC12CCC2 2239517779 JCAXRAWRCFYQIM-KBPBESRZSA-N 401.529 1.658 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@](C)(CO)NC(=O)OC(C)(C)C 2241810028 YCHPXPYWGWHUGB-DJJJIMSYSA-N 401.504 1.848 30 10 HDEE COCCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2243405511 HTJAIIGEOWAVGZ-UHFFFAOYSA-N 400.288 1.403 30 10 HDEE Cc1ccc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2247846981 PQBWCEQQAQWJPQ-UHFFFAOYSA-N 412.217 1.797 30 10 HDEE CC1(C)OB(C#CC(=O)NC2(C(N)=O)CCN(Cc3ccccc3)CC2)OC1(C)C 2247933879 ZFUCXRJMXYHSCB-UHFFFAOYSA-N 411.311 1.258 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2OCC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2253350918 MFUNVZJKXIZQIW-QVKFZJNVSA-N 420.315 1.763 30 10 HDEE N#CC1CCN(S(=O)(=O)N2CCC[C@@H](NC(=O)OCc3ccccc3)C2)CC1 2264025740 YCJHAYAHRWYRKH-GOSISDBHSA-N 406.508 1.858 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC[S@@](C)=O 2267704027 GYJRELDGGKBMSO-XMMPIXPASA-N 407.388 1.403 30 10 HDEE CN(CCO)CCN(C)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281943662 NKGUYSIKLOCXAN-UHFFFAOYSA-N 402.753 1.697 30 10 HDEE CCN(C)[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282347216 VBMLTBOUIRFJIC-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE COC(=O)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282408273 HABAITPEHFHPIR-UHFFFAOYSA-N 403.693 1.481 30 10 HDEE CN(C[C@H]1CCC[C@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282416764 AILRGWIDMNAMJL-TZMCWYRMSA-N 401.359 1.829 30 10 HDEE CSCCCCCNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282837132 BPIBQJQPAJOPIU-UHFFFAOYSA-N 403.379 1.531 30 10 HDEE CO[C@@H]1C=C[C@@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282837547 FNQJTGDCJKTMQO-VXGBXAGGSA-N 400.331 1.205 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC(CN)CC2)OC1(C)C 2282842852 DSZFEAUXTABCRR-UHFFFAOYSA-N 400.375 1.548 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@](C)(CO)C3)c2)OC1(C)C 2282849460 BOYRSBKHRPWNJQ-QGZVFWFLSA-N 401.359 1.830 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1COCCO1 2282850184 LYLXZPDFTIJCOB-DGCLKSJQSA-N 403.331 1.130 30 10 HDEE CC[C@]1(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCCNC1 2282869809 IQOQWHOLVVDCSN-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC(C)C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2282881697 BBCIDZWLRPNUCS-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CC(C(=O)O)C2)OC1(C)C 2284400724 BVRXKNUBMWXVLJ-UHFFFAOYSA-N 401.315 1.436 30 10 HDEE CC(C)(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)CC(=O)O 2284418506 ZDOJCNGMKQFYMP-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300229275 UYYYLFDYXFXNFJ-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@H](C(=O)C=Cc2ccccc2)C1 2328071937 XIAMBCNGGIYGGC-XLIONFOSSA-N 417.465 1.802 30 10 HDEE CCOc1c(C=Nn2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cccc1OC 2330944112 KPYXPEYBWAXFIV-AWEZNQCLSA-N 405.480 1.997 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(OC)cc1OC 2331259695 OJEUGSGMTJOWJW-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE COCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccc(O)cc1O 2331569586 XTSSEPBGLDBFDA-UHFFFAOYSA-N 420.476 1.905 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC(F)(C#N)C3)cc2Cl)OC1(C)C 2339607151 AUKHYJDZGPCBGX-UHFFFAOYSA-N 406.697 1.937 30 10 HDEE CCCN[C@@H](C#CC1(OC)CCOCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2363644983 XCYHVDCKEIRRAZ-FQEVSTJZSA-N 416.518 1.937 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCCC2 2365202852 GNGVPAPKUSSRFD-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE N#Cc1ccccc1NC(=O)c1cccc(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1 12030851 NWBCKBHDKSVZPH-MRXNPFEDSA-N 404.469 1.771 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)N3CCN(C(=O)c4cccs4)CC3)CC2)c1 29446124 KXMHBQDPQHQDDU-UHFFFAOYSA-N 424.530 1.121 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCC#CCOc3ccc4c(c3)OCO4)CC2=O)cc1 90730832 IKBKUCKKZKYFMR-INIZCTEOSA-N 422.437 1.975 30 10 HDEE O=C(CSc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1)NC1CC1 253562714 DPBPJWGYMZLGCJ-GIDUJCDVSA-N 406.384 1.438 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ncccc2C(F)(F)F)CC1 437425485 HGBFXRLJFBQQMB-UHFFFAOYSA-N 415.416 1.109 30 10 HDEE CN(C)C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 464935169 XLYMCOBPBCLUJX-GOSISDBHSA-N 404.536 1.512 30 10 HDEE COc1cccc(-c2nc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)no2)c1 471963587 FDMMVKLZZBZFLH-ZDUSSCGKSA-N 405.418 1.758 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 481033493 KCFCBRCSNRBEIY-OAHLLOKOSA-N 424.486 1.993 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(C(=O)C(C)C)CC2)c(C#N)cn1CCOC 481449541 HMGWPXSOWRFKNF-UHFFFAOYSA-N 419.482 1.515 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(CC)n(-c3ccccc3Cl)n2)CC1 492292141 VALZYXNPVIJVEV-UHFFFAOYSA-N 416.913 1.543 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 494516757 VZLIMSNHBXUEPI-CRAIPNDOSA-N 400.435 1.487 30 10 HDEE C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C 503402122 GNTYJNZWOFARCT-HTAPYJJXSA-N 415.538 1.970 30 10 HDEE COC(=O)[C@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)[C@H](C(=O)OC)C1 503871395 KZTAJPZMPBDJQF-HZMBPMFUSA-N 400.840 1.327 30 10 HDEE CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506196379 YFBVWWHJCSXXSY-NRFANRHFSA-N 423.510 1.508 30 10 HDEE C=CCn1c(-c2cccc(Cl)c2)nnc1S(=O)(=O)CCCS(=O)(=O)NC 507547253 GZPMGSCRQPXPOY-UHFFFAOYSA-N 418.928 1.498 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C(C)C)C1 508825493 FLAWPNWWEKCAHN-GJZGRUSLSA-N 415.585 1.375 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@H](C(=O)C3CC3)C2)CC1 514183925 YTBQWRNHCRVCKW-SJORKVTESA-N 402.520 1.137 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3snc(C)c3C#N)CC2)C1 517110309 FSWNGADCWIENDE-HZPDHXFCSA-N 419.551 1.635 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](C)[C@@H](C)CO)nnc12 532686027 OPVUHQKMJVHTDQ-QWHCGFSZSA-N 401.492 1.455 30 10 HDEE COC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)c1ccccc1 538768991 GGTCYZWIELXUGN-GOSISDBHSA-N 404.430 1.640 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 552798191 GIXYDPDZZFZCDL-KRWDZBQOSA-N 412.533 1.289 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 553904163 JHLCKBDKBZKXGK-UHFFFAOYSA-N 411.550 1.441 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](COCC)C1 559008144 ZFAHFPXJGLIEAX-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 562029985 VPABVERCOYCUOJ-HZMVEIRTSA-N 409.556 1.812 30 10 HDEE CCc1c(C(=O)NCc2ccc(C#N)c(OC)c2)cnc2c1c(=O)n(C)c(=O)n2C 575961379 YYFYELSXAAGUSY-UHFFFAOYSA-N 407.430 1.005 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1ncc(C#N)cc1C)c1ccc(S(C)(=O)=O)cc1 583768745 BYYNOIHWDDBZKS-FQEVSTJZSA-N 415.471 1.874 30 10 HDEE CON[N+](=O)CC(=O)N1c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1C 585088936 MLLONWXXZLOTSF-AWEZNQCLSA-N 405.456 1.728 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)NC3CCCCC3)cc21 586362267 XOFNYOUJUPANBK-LJAQVGFWSA-N 418.515 1.978 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccn(-c3ccc(OC)cc3)n2)CC1 604181115 YNMPRSLWILGYQU-UHFFFAOYSA-N 412.494 1.010 30 10 HDEE COc1nscc1S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 714375393 HTJSQPCGDKIDEY-UHFFFAOYSA-N 417.343 1.386 30 10 HDEE COC(=O)[C@@H]1CN2CC[C@@H](C2)CN1Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 725392996 OYMIOUASLBAVDD-HKUYNNGSSA-N 400.328 1.665 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 729353853 GUPSMDOTXQDZMU-HNNXBMFYSA-N 406.508 1.023 30 10 HDEE N#C[C@@H]1CN(C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)CCN1C1CC1 732650369 PEVDXWWMKVLNLT-QGZVFWFLSA-N 417.473 1.652 30 10 HDEE CCc1ccc(C(=O)N2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 733889853 CMDANMRJWBYPIX-MRCUWXFGSA-N 410.474 1.450 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)N(C)C)ccc2Cl)c1 747866670 UHCICPQVVCWDNA-UHFFFAOYSA-N 419.890 1.940 30 10 HDEE CCOC(=O)c1cn(C)nc1NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 757925367 GLPIARIVKMAWQQ-WCQYABFASA-N 406.443 1.477 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 764430725 MNNWCRRMGAPIJA-UHFFFAOYSA-N 406.427 1.303 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)cc1OC 766987996 GMAOVDSYQNSMPA-WCQYABFASA-N 411.505 1.319 30 10 HDEE Cn1ncc(NC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)c1C1CC1 770724149 LQRSHOCHIMKDHP-UHFFFAOYSA-N 409.450 1.322 30 10 HDEE CCCC[C@@H](NC(=O)NCC)C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 771599743 OZCBAHCVXMUVCS-CQSZACIVSA-N 400.888 1.894 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3cc(OC)c(F)cc3C2)c1 777014975 OSKUYVRQQXMVNM-UHFFFAOYSA-N 402.447 1.944 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)CC1 777753560 ANVLVDNHPTYHKV-RDJZCZTQSA-N 406.527 1.803 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCc1ccc2c(c1)CCO2 778875724 IVIXCGOXYXGLAY-CQSZACIVSA-N 400.456 1.949 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 780862702 OMJOVEHZPATXDC-QGZVFWFLSA-N 405.501 1.623 30 10 HDEE C#CCN(C(=O)NC1CCC(Oc2ncccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 783036114 ORWULNSAZXNSON-ADKAHSJRSA-N 416.503 1.475 30 10 HDEE C#CCN(Cc1ccc(C(=O)OC)cc1Br)[C@H]1CCS(=O)(=O)C1 793584569 PAPIPQVWBKTRIR-AWEZNQCLSA-N 400.294 1.858 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 796991774 OTVTXIVCONQKNM-STQMWFEESA-N 404.471 1.357 30 10 HDEE C#CCN(C(=O)Nc1ccc(OCCCOC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 806624048 CFRBFPKZZRMKIT-MRXNPFEDSA-N 410.492 1.765 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3COc4ccccc4O3)n2C)n1 809867626 PERMCGDBNDLIGF-LJQANCHMSA-N 408.462 1.810 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 812178766 KILULOWPLNISTO-KRWDZBQOSA-N 412.494 1.995 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cn(C)nc2C(F)F)c1=O 812274043 SGLNHJXJJFPOOX-UHFFFAOYSA-N 422.457 1.100 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccccc1C(=O)NC1CC1 834615117 RHUQQUBRASHSRY-UHFFFAOYSA-N 412.471 1.646 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@H](C)Oc3ccccc3C#N)CC2)o1 915387174 CYOWUNBBVTVUBP-AWEZNQCLSA-N 423.429 1.386 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)OCC(=O)N3CCO[C@H]4CCCC[C@H]43)cc2)c1N 919549206 LIKDBPOFCPBHHN-MSOLQXFVSA-N 409.446 1.653 30 10 HDEE COc1ccc(C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)cc1S(C)(=O)=O 1126549409 GPSAUOGBCJUWJR-UHFFFAOYSA-N 411.443 1.862 30 10 HDEE CN1CCO[C@@H](C(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1136704064 JSVVTYYICWGBSF-HZPDHXFCSA-N 421.295 1.015 30 10 HDEE COc1ccc(-c2nc(CCNC(=O)CCN/C(O)=C3/N=CC=CC3=O)co2)cc1 1142966208 RIQWAXJQZLJVAT-VXPUYCOJSA-N 410.430 1.925 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(I)ccc1N1CCOCC1 1148559539 OWEJURPVZGXZJC-GFCCVEGCSA-N 402.232 1.405 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1 1152129033 UFJGRRBWCLTIHH-ZDUSSCGKSA-N 405.455 1.663 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)CCCN1C(=O)OC(C)(C)C 1152710393 OFPRHCKGGBHXCQ-AOMKIAJQSA-N 419.522 1.269 30 10 HDEE C=CC[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OCC 1154006976 JMFZZSTZLRHUOQ-LSDHHAIUSA-N 411.499 1.374 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N2CCC3(CC2)CC(=O)C=CO3)C1 1157544941 OPCPCHXNPFKONL-QVKFZJNVSA-N 406.479 1.734 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCC(=O)N3CCN(c4ncccn4)CC3)CCC2)cc1 1163511410 GXDWYJYQVYYUBH-UHFFFAOYSA-N 418.501 1.973 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1165497242 CHJOSHUXKQDDQT-LAUBAEHRSA-N 403.479 1.812 30 10 HDEE Cc1ccc(S(=O)(=O)N=S2(=O)CCN(Cc3ccncc3C#N)CC2)cc1 1170814585 VGURRTUTBNOLNK-UHFFFAOYSA-N 404.517 1.934 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2C(=O)N[C@@H]3CN(C[C@H](O)CC#N)CC[C@H]32)CC1 1171142610 GXTNOWFJQUJSAO-BRWVUGGUSA-N 407.515 1.129 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCc3sc(S(N)(=O)=O)cc3C2)c1 1174742390 LDUARJZEKOLJCY-UHFFFAOYSA-N 411.530 1.099 30 10 HDEE CCn1c(CN2CC[C@@](C)(C#N)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1174772078 ZSIDYTWQGKKSFL-FQEVSTJZSA-N 417.535 1.813 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCc3nccc(N)c3C2)CC1 1175531845 LLDAJLADVJPEFX-NRFANRHFSA-N 408.481 1.570 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1176701841 VDDLEDNRHFJBOE-GQIGUUNPSA-N 416.503 1.201 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(O)Cc3ccc(F)cc3)cc2S1(=O)=O 1184349227 ZQIOBHYOMRFYAL-UHFFFAOYSA-N 408.407 1.648 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 1208449498 OBVDNXLYWSDQRV-LLVKDONJSA-N 420.896 1.329 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1211970575 FGMBYPRAOYNPQN-ROUUACIJSA-N 407.492 1.754 30 10 HDEE C#CC1(F)CN(C(=O)NCCNS(=O)(=O)c2cc(C)ccc2Br)C1 1227986129 KUYRKDJIZLKDRY-UHFFFAOYSA-N 418.288 1.403 30 10 HDEE C#CCSCC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1264464931 RTHUJDHTKCOFHL-UHFFFAOYSA-N 409.515 1.673 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)/C=C/c3ccc4c(c3)NC(=O)CO4)CC2)c1C#N 1269303290 MJZHNUYMUZTXPZ-GQCTYLIASA-N 406.446 1.293 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(F)CCC1 1286294211 CDJDUOXZIKKTFN-GJZGRUSLSA-N 413.519 1.351 30 10 HDEE C#CCCCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1286354951 CFXIOLRHXNRLIQ-UHFFFAOYSA-N 418.523 1.284 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1CCCN(CC(C)C)C1)[C@H]1CCS(=O)(=O)C1 1286385671 YOFXAGPAEPJIJU-OALUTQOASA-N 407.584 1.581 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC1(O)CCOCC1)[C@H]1CCS(=O)(=O)C1 1286393316 JYMYEGXGIWQVAL-KRWDZBQOSA-N 424.567 1.035 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCN(C)C1 1286403155 KHTAZXMJPRLIMO-JOCHJYFZSA-N 409.490 1.102 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CCNC(=O)C2CC2)CC1 1286483825 ZSYUQQGBXXUEFF-UHFFFAOYSA-N 422.533 1.181 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286508037 HHAYSCNESUAOJZ-IBGZPJMESA-N 424.574 1.986 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1286613625 DAFMNMAQPRJMGH-DYESRHJHSA-N 421.542 1.485 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286645108 UXCLWQXTUWWGEJ-FGTMMUONSA-N 402.543 1.885 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1286705970 ILDDTKRCVKMANE-OAHLLOKOSA-N 402.503 1.526 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1286773406 NJVRSBYQODNBRN-SFHVURJKSA-N 424.505 1.202 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286776729 VYOWOCDSZRQCHQ-UHFFFAOYSA-N 400.443 1.533 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2c(C)nn(C)c2C)CC1 1286874932 DHFVBRWKJQGKCP-UHFFFAOYSA-N 418.505 1.884 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1288226004 JZLLLRAMUHKCFN-LAUBAEHRSA-N 404.486 1.329 30 10 HDEE C[C@](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)(C(N)=O)c1cccc(Cl)c1 1294110985 GWGUTHXTHGYUDO-GOSISDBHSA-N 423.853 1.907 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)C2CCCCC2)s1 1294595222 BCDAZAJNQPTRCF-QGZVFWFLSA-N 414.549 1.993 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](n2cncn2)C1 1294889585 WQSKNQLIDHJCRL-GOSISDBHSA-N 419.493 1.776 30 10 HDEE CCn1cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1295919557 GEDQYYXVXLCPJK-RDTXWAMCSA-N 420.543 1.283 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H](C)OC 1297287405 CWCIMHUBGRHTRK-GJZGRUSLSA-N 400.487 1.226 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncn(C)n2)cc1OC 1300040865 FLOJJBMBZWCWSG-LJQANCHMSA-N 412.429 1.581 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCS(=O)(=O)NC(C)C 1300527313 XARWAQFPENPWNK-UHFFFAOYSA-N 403.483 1.485 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCS2)CC1 1300685096 GHEYJQAWPYAFSE-GHTZIAJQSA-N 419.595 1.970 30 10 HDEE C#CCN1CCN(c2nnc(C)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 1300685396 MJQDWHKBHILSDT-UHFFFAOYSA-N 400.527 1.909 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOC[C@@H]2CCCO2)CC1 1300703582 LQGBFGSWFXXVEZ-NRFANRHFSA-N 424.549 1.605 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccnc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1300879744 FLILXWCRQDOOSE-KURKYZTESA-N 417.535 1.945 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301477500 BNSCIFKCRSFPLF-INIZCTEOSA-N 417.558 1.820 30 10 HDEE COCCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301530829 WBHDUMXYALOTEK-KRWDZBQOSA-N 403.531 1.410 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(COC)CCOCC2)C1 1301554613 JPVJXDXJZPCGAN-IRXDYDNUSA-N 419.526 1.454 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1302255015 DLMURZJFWBSXLV-AWEZNQCLSA-N 409.437 1.654 30 10 HDEE CC(C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302369535 QDBDAKJGFSYARB-QGZVFWFLSA-N 411.510 1.536 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN(C)CC(F)(F)F 1303635370 FCTXCESBOTYCOV-CHWSQXEVSA-N 401.437 1.852 30 10 HDEE Cn1cnnc1COCC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252200 IMXHXFWTJXFKFC-OCAPTIKFSA-N 422.276 1.961 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](Cn2cccn2)C1 1314638379 CBNQOJXWEDFWJC-SFHVURJKSA-N 420.477 1.007 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1nc(CCOC)no1 1315047441 BSAJCXQWOHJLMG-UHFFFAOYSA-N 424.465 1.161 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)C1 1316527502 MEIZRDAESCQOTB-KRWDZBQOSA-N 406.849 1.977 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCCCN2CCCC2)CCO1 1316535005 AXASHQCBODTTDE-SFHVURJKSA-N 415.542 1.509 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1343533408 CYNANTSZTLSTLC-ZDUSSCGKSA-N 403.298 1.531 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1358888044 GUCOJYYNJQIRPR-AABGKKOBSA-N 402.587 1.904 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1358963811 OKADGVNMPOJLGW-QGZVFWFLSA-N 418.567 1.470 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2OCCC2(C)C)CC1 1359027942 AZPWGUKYKCJROX-QGZVFWFLSA-N 400.527 1.084 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](OC)C(C)C)CC1 1359044199 ZBVHJEWIQUKKPC-IBGZPJMESA-N 410.522 1.977 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)COC)CC1 1359099249 LLQIGHOYLLYDEH-LNLFQRSKSA-N 419.526 1.058 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359135529 GVJHNJBJZXOWTM-DLBZAZTESA-N 416.526 1.050 30 10 HDEE C=C(Cl)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1359154747 AHYFGEZDNKAGPU-INIZCTEOSA-N 418.933 1.933 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1359222064 XCSNBDIYPAMDBI-UHFFFAOYSA-N 418.542 1.458 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1359341509 YVZNWIQLYNURQW-SJLPKXTDSA-N 417.583 1.755 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CN(c3ccc(F)cc3)C2=O)s1 1447572557 GZJJOMSFUOCKJH-HNNXBMFYSA-N 423.491 1.426 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)Cn1nc(Br)c(Br)n1 1448580449 YTMWHHWGJIILLD-SCZZXKLOSA-N 408.094 1.901 30 10 HDEE C=CCN(C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 1450689686 JSKJJHOUZDSCQI-UHFFFAOYSA-N 401.488 1.886 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Oc2cc([S@@](C)=O)c(C)cc2OC)cc1 1451877924 GKBGCGDGSUYFJW-HHHXNRCGSA-N 421.496 1.872 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1459944658 XFXWKMSJDZWRBY-CYBMUJFWSA-N 422.334 1.859 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc2c(C(=O)OC)cccc12 1462898358 TXKAGHOKBFADGR-CQSZACIVSA-N 423.512 1.990 30 10 HDEE CC(=O)N[C@@H](C(=O)Nc1nc2n(c1C#N)CCOC2)c1cccc(Br)c1 1463347429 YSEHQGXGAGVCGI-OAHLLOKOSA-N 418.251 1.863 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H]1CCCN1C(=O)OCc1ccccc1)C(=O)OC 1463853265 GCVXMVWZXSQKBN-DLBZAZTESA-N 408.476 1.272 30 10 HDEE N#Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)cn2)c1 1464093698 GTUOVECSOGHUSS-AWEZNQCLSA-N 401.448 1.600 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1464521065 KVCOWZICZCVNON-MJGOQNOKSA-N 406.504 1.699 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1466149952 FSLWRNDVGSPOGN-GFCCVEGCSA-N 423.491 1.945 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 1466208909 RUKIBJNIDSBPJO-INIZCTEOSA-N 407.426 1.867 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C3CCOCC3)nn2C)n1 1467126433 YAXPHVYWQBAMOR-UHFFFAOYSA-N 400.483 1.824 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1469917666 RUPLMPGZPPBCGJ-CYBMUJFWSA-N 405.879 1.485 30 10 HDEE C#CC1(O)CCN(C(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1469996358 IFQKDHRESZQKFN-HNNXBMFYSA-N 406.280 1.724 30 10 HDEE C=CC[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 1470074016 DWTYYNKDDLLWJY-CRAIPNDOSA-N 407.536 1.918 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)C(F)(F)F 1472234065 TWGDKZVORNBWPN-ZDUSSCGKSA-N 407.414 1.325 30 10 HDEE N#CCC(=O)N1CCN(Cc2csc(CN3C(=O)c4ccccc4C3=O)n2)CC1 1473484804 UDMQMQRGPSCIGY-UHFFFAOYSA-N 409.471 1.497 30 10 HDEE CC(=O)N1CCC(C)(C)c2cc(S(=O)(=O)NC3CCN(CC#N)CC3)ccc21 1474943276 TUVHQIUHMRGNLN-UHFFFAOYSA-N 404.536 1.987 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)NCCc3ccc(C#N)cc3)cn2)C[C@@H](C)O1 1476234666 FZUWMIBGRBPOSK-HZPDHXFCSA-N 410.478 1.755 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCOCC1 1499162074 FZDLWGLOCXIOBL-UHFFFAOYSA-N 410.526 1.156 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1502676181 FOYKIJSFIFWWQZ-NHCUHLMSSA-N 418.542 1.127 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nccn1C(F)F 1505083305 XKOYGTQENHQWMB-GUTXKFCHSA-N 423.424 1.371 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOCCOC 1507611711 PDQYJKLAUSSBSO-UHFFFAOYSA-N 424.505 1.968 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1507618888 UJLJGKKLPPLLEQ-UHFFFAOYSA-N 410.503 1.394 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCN(C)C1 1507656224 UEDZQUNNWSQNAG-HSZRJFAPSA-N 407.518 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)no1 1507665248 TWAYZRPJEHYTIU-UHFFFAOYSA-N 413.445 1.728 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(N)=O)c2)CC1 1507724300 MSLWDBYCJTZIOQ-UHFFFAOYSA-N 415.501 1.166 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCN2CCOC[C@@H]2C)CC1 1507733565 CYQOEQZVGXWULT-KRWDZBQOSA-N 402.543 1.088 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCCC(=O)NC 1507791665 PLBKDJRIIJNZDN-DOTOQJQBSA-N 406.531 1.360 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 1508086547 MGXTYYAYSFKQAM-UHFFFAOYSA-N 412.469 1.446 30 10 HDEE C=CCSCCn1c(-c2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1508153278 JQAUQWYSNQHXFJ-QGZVFWFLSA-N 402.524 1.601 30 10 HDEE Cc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCSCCCO 1511885226 KUYKMAGUCVVAJZ-UHFFFAOYSA-N 417.539 1.766 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H]1C 1512484988 BWFJKFUMBYXJGV-BUNKOAGESA-N 421.505 1.883 30 10 HDEE COCC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1518971639 FLYMJEYFLGPORA-DENIHFKCSA-N 413.522 1.970 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1)[C@@H]1CCS(=O)(=O)C1 1520934906 HCUDXWPTUBQYNY-GFCCVEGCSA-N 409.407 1.243 30 10 HDEE CC(=O)N1CCC(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1528739683 UZFUWPDAOTVTET-SFHVURJKSA-N 411.462 1.138 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1539110543 AWDHUNRASLJUPJ-UHFFFAOYSA-N 411.554 1.687 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCCCC1=O 1539187164 OBRYIUIXDDIJKW-UHFFFAOYSA-N 405.506 1.989 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1539215514 DRLXNQITOIQGAZ-KRWDZBQOSA-N 410.503 1.652 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H](O)C1 1539323645 IBNFMYXOIOBKFR-KURKYZTESA-N 404.536 1.194 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(C)(=O)=O 1539340833 SYSSBRQEGZNFQU-UHFFFAOYSA-N 403.508 1.651 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@H](C)COC)CC1 1539454202 ZWWUNYIQBMQSTG-SFHVURJKSA-N 407.522 1.554 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1540858869 MCGGMRYXGAGJKA-GOSISDBHSA-N 412.469 1.961 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1540870637 RNSDOTGYUPSEIB-KRWDZBQOSA-N 400.527 1.590 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540897564 MQFZFPYTQKMCSL-IRXDYDNUSA-N 423.583 1.984 30 10 HDEE CCc1nc(Cn2c(C)nnc2N2CCN(c3c(C#N)c(C)nn3C)CC2)cs1 1546383657 VFPKTLMXDAOPSE-UHFFFAOYSA-N 411.539 1.894 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554244419 XXHUBJARQXUWJE-MJWGMMHASA-N 400.483 1.230 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H]([C@@H](F)C(=O)OCC)C2)s1 1557235114 YIOXDYYSGRBZOP-MLGOLLRUSA-N 418.512 1.505 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC23COCCN2CCOC3)cc1C 1557742208 ULBXNAIRJBUZIZ-UHFFFAOYSA-N 423.517 1.912 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(F)c(C(F)(F)F)c(F)c2)CC1 1558072751 BRIFOIGFURIXAU-UHFFFAOYSA-N 411.352 1.209 30 10 HDEE COC(=O)[C@@H]1CN(C[C@@H](O)CC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1560175577 VUVUMNFGSCRWRH-HOTGVXAUSA-N 407.511 1.773 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C(=O)OC(C)(C)C)C2CCCC2)CC1 1565590099 MQVHHCYSVQLBTF-LJQANCHMSA-N 405.539 1.418 30 10 HDEE C=CCN1CCC(NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1565628376 QTLWHDLJKNEOBQ-SFHVURJKSA-N 410.559 1.809 30 10 HDEE C[C@H](C#N)N(C)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1583899877 CFRJZVSNHROWRP-SECBINFHSA-N 421.260 1.526 30 10 HDEE CSCC[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C(N)=O 1584717471 IAKBYFMVQLJTKM-SGJMOYSZSA-N 410.540 1.496 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2ccn(C3CCSCC3)n2)cc1 1586845077 QAJBNBAKDWNIQA-UHFFFAOYSA-N 405.505 1.740 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOCC1(C)C 1587921699 GKXBAIVLPSPGAH-OAQYLSRUSA-N 405.543 1.499 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1587975176 QUBMWFNIGRQOJA-UHFFFAOYSA-N 407.478 1.130 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC[S@@](=O)CC)[C@@H]1CCS(=O)(=O)C1 1588054572 OGDMVBQAGKLBIW-DXPJPUQTSA-N 412.581 1.331 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CCOCC1 1588079424 WPYPOJDBWBYQGY-UHFFFAOYSA-N 424.530 1.910 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1588223656 BLSRQOJAKQJZOR-GCJKJVERSA-N 409.490 1.810 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1588228668 JPIPYSUPXOIFRB-DLBZAZTESA-N 403.552 1.126 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1589006275 CRETVZFPECDDMY-QGZVFWFLSA-N 410.503 1.134 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC(F)F 1589259006 HOYVRBFTKYFGKK-IYJAJMOOSA-N 411.453 1.376 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1589557835 JHEUEPSVCVNGKX-MDKPJZGXSA-N 410.522 1.912 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](c2ccco2)N(C)C)CC1 1594014873 WXGQQKKUFXXCDW-HZPDHXFCSA-N 422.555 1.941 30 10 HDEE COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cnc(OC)c(C#N)c2)c1 1595367553 QXBKQDLAISIECT-UHFFFAOYSA-N 424.866 1.792 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)C(C)C)C1 1595745135 QCDSUFBODXFEAJ-SFHVURJKSA-N 415.542 1.693 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1595878093 IJFBKBORXZAXQG-CVEARBPZSA-N 406.556 1.501 30 10 HDEE C[C@H]1CC(=NC(=O)[C@]2(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO2)NO1 1602917331 AUMLQGAXPRMQPQ-BUXKBTBVSA-N 413.471 1.573 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCn3cnc4c(N)ncnc43)CC2)c(F)c1 1610997020 UIPRNEIXRDOPKQ-UHFFFAOYSA-N 408.441 1.548 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CC1 1611251450 CHEAEJBVEMVHGF-UWJYYQICSA-N 408.543 1.831 30 10 HDEE COCCN1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1615788454 SPSDFUCJOGBWLE-UHFFFAOYSA-N 407.312 1.548 30 10 HDEE CC(C)(C)OC(=O)/C=C/c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)co1 1616337405 YGBSTGSQDPQUED-SHYBKKQSSA-N 406.460 1.645 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 1616994201 WTLAFQBPNCGTMN-MOPGFXCFSA-N 406.571 1.920 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)CC1 1618030069 SHTLSBIHAUNNAB-UHFFFAOYSA-N 400.464 1.656 30 10 HDEE N#Cc1ccc(F)c(CNS(=O)(=O)c2ccc(OCC(=O)NC3CC3)cc2)c1 1621841412 GPUZUSBZMVUTNB-UHFFFAOYSA-N 403.435 1.833 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1622318186 KPHXXJKJKYNUJF-ZDUSSCGKSA-N 415.309 1.411 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(NS(=O)(=O)C(C)C)c(F)c1 1622417231 VKZDTJRNHZGKAW-ZDUSSCGKSA-N 406.501 1.683 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)s1 1623674663 SZAOTGDLSAKQBK-HNNXBMFYSA-N 419.528 1.997 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nc[nH]c3C2)cc1 1624926640 DXSBFZZNNIZGQI-JJDWYLCDSA-N 401.492 1.966 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1nc2c(s1)CCC[C@H]2C(=O)OCC 1625240446 IOHSUUIMHYTXGM-LLVKDONJSA-N 401.510 1.848 30 10 HDEE C=CC1(CC(=O)N2CCC(S(=O)(=O)NC)CC2)CN(C(=O)OC(C)(C)C)C1 1628681900 CVRMFJNWXOSCKX-UHFFFAOYSA-N 401.529 1.340 30 10 HDEE CN(C[C@@H](O)c1ccccc1Br)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1629985815 TZMBTWODVRUTFP-BQASMSSTSA-N 422.279 1.857 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)CC1 1632966188 KGQXHFWRDIWRLY-ZHACJKMWSA-N 417.531 1.633 30 10 HDEE Cc1cc(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)nn1-c1cccc(C#N)c1 1633854225 UVTWINHUCORXNC-UHFFFAOYSA-N 413.434 1.769 30 10 HDEE N#CC1(CNC(=O)N2CCN(c3ncc(I)cn3)CC2)CC1 1634806299 ZWYVIYRHYYJKFD-UHFFFAOYSA-N 412.235 1.217 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1638905876 FUUNOZLKWLUOIH-OAHLLOKOSA-N 417.491 1.822 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(N=c2cc[nH]cc2)cc1)c1cc[nH]n1 1642489963 AHULJSCEFPBQMO-UHFFFAOYSA-N 422.445 1.570 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CC1 1644282195 XXWUUWSSMHLMPW-UHFFFAOYSA-N 400.504 1.272 30 10 HDEE COCCn1cc(CNC(=O)c2cccc(C#N)c2Br)c(O)nc1=O 1644313874 YCNODEGKAJOKJL-UHFFFAOYSA-N 407.224 1.159 30 10 HDEE COc1ccc(CC(=O)NCC2(C#N)CCCC2)cc1S(=O)(=O)N1CCOCC1 1644335716 WSHHKRGRYMTOTM-UHFFFAOYSA-N 421.519 1.459 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2c3ccccc3OC[C@H]2F)cc1S(=O)(=O)NCC#N 1644625793 CTRHZGXUEIZGFP-CRAIPNDOSA-N 403.435 1.999 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3c(c2)ncn3C)s1 1644841255 OHTBCHGEFCCUEJ-UHFFFAOYSA-N 404.517 1.958 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)c3n[nH]cc3I)C2)nc1 1646094767 BEEUXQCEXJFPTE-NSHDSACASA-N 422.230 1.998 30 10 HDEE CNC(=O)[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@@H]2CCCO2)CCCC3)C1 1653950505 VNJNLXXOGPDJDF-CVEARBPZSA-N 413.522 1.424 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4cc(F)cc(F)c4C3)CC2)o1 1655150422 MINNRYRGCVZFHN-UHFFFAOYSA-N 401.417 1.840 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1655605808 NLKNWOIUQJGCDW-CQSZACIVSA-N 401.444 1.365 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@H](CO)[C@@H](CCO)C2)n(-c2ccc(F)cc2)c1C 1655898433 JQYRYWMLONUZIX-DLBZAZTESA-N 414.481 1.966 30 10 HDEE C#CCOc1ccc(Br)cc1CNCc1nc(CS(C)(=O)=O)n[nH]1 1657037093 GZWAVBOVDYFWIH-UHFFFAOYSA-N 413.297 1.414 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1673448388 IRGHBBSJFUGREP-HNNXBMFYSA-N 405.476 1.028 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1680778689 KFJREUFQEQADHK-YRPNKDGESA-N 414.506 1.524 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1 1682095135 FDKKCCBZZVLCHQ-MJGOQNOKSA-N 405.470 1.181 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1689830863 CZGQICONSVVXOP-QRWLVFNGSA-N 417.535 1.880 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@]1(N2CCOCC2)CCSC1 1689847290 WSOUTERISQPJLF-JXFKEZNVSA-N 415.567 1.344 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCNC(=O)OC(C)(C)C 1689998156 DEUAQOXRBJDHLO-UHFFFAOYSA-N 402.499 1.404 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1689998315 JFSZNYWFKZKWPO-MRXNPFEDSA-N 416.526 1.792 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)CC 1690004645 AGQCVLMQFGSEBU-UHFFFAOYSA-N 403.284 1.587 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCS(C)(=O)=O 1690067789 KMFDLZDPZPVELX-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1690085853 HRNZSIGJHAYYOC-MRXNPFEDSA-N 418.519 1.760 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CCOC)CCC2)CC1 1690109534 VMHUOTPZLOLBFF-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CCOC[C@H]2C)CC1 1690115705 QAMAHYBVWACYJM-HXUWFJFHSA-N 422.577 1.983 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690179449 ZQMRRCULZNCDEF-QGZVFWFLSA-N 419.576 1.644 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 1690260353 ICYHDHBGTRQSSX-UHFFFAOYSA-N 405.524 1.682 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncnn1-c1ccccc1 1690515703 RRKKAOJDUFFEKV-AWEZNQCLSA-N 416.511 1.140 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@H](COC)C1 1690665903 TTZDQXBYICGPHC-HNNXBMFYSA-N 413.478 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccon1 1690725236 JIOWWXANYPQYFL-UHFFFAOYSA-N 402.480 1.489 30 10 HDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1691452479 QZLKOOMXRVCUGH-UHFFFAOYSA-N 422.493 1.933 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCOCC2CC2)CCO1 1698490652 FGICWCHDZFDFRU-MRXNPFEDSA-N 411.466 1.471 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705489711 UYFYBNFSBHUPSN-LAUBAEHRSA-N 419.533 1.751 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)NCC=C 1705557327 SNNJLKABNKRERK-UHFFFAOYSA-N 421.549 1.014 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCO[C@H]1C 1705669121 DCEQZESJZRYQDZ-XGARDCMYSA-N 418.538 1.851 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCOC(C)(C)[C@H]1C 1705906056 QQFQYPZLTSJIED-MRXNPFEDSA-N 423.521 1.823 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)CN1CCOCC1 1712622489 QHASSUBLFZHKDS-XWSJACJDSA-N 420.558 1.709 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1cc(CO)nn1 1722354673 JAOUQRKQYBZKGB-GOSISDBHSA-N 409.450 1.034 30 10 HDEE C#CCN(c1nnc([C@@H]2COc3ccccc3O2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722368669 ULEIBHKQWYSYNM-YJBOKZPZSA-N 416.503 1.827 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 1722429456 MKTVUBPVXCUJPP-MOPGFXCFSA-N 416.570 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(Br)c[nH]2)n1Cc1nnn(C)n1 1722468159 KBDVFNBTLKEKLO-MRXNPFEDSA-N 416.287 1.600 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2cccnn2)CC1 1722483806 RIVISIGSYUCNSS-AWEZNQCLSA-N 420.315 1.807 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1722528263 XMPUWNHKLQKFLB-UHFFFAOYSA-N 420.558 1.704 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722535848 PCJMNWINVSJNIF-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722537162 LQWORNUFUNOTOH-CVEARBPZSA-N 404.471 1.644 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(O)CCN(C(C)C)CC2)CC1 1722577611 LQFNCYUUCZJFNI-GOSISDBHSA-N 416.570 1.867 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722731746 QOFPQIRFOCWJRD-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CCCCC)[C@H]1CCS(=O)(=O)C1 1740616226 WIKKPJBXDZGOJH-INIZCTEOSA-N 407.540 1.331 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC)cc1 1740684560 UVJYAHZOEOELCV-SFHVURJKSA-N 424.505 1.113 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CCOC 1740750697 TWESVMMYMSLFPO-QZTJIDSGSA-N 416.526 1.862 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCOC)CC1 1740820688 MYCPJEZTZJHRRE-UHFFFAOYSA-N 410.482 1.740 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nncn1C 1740857224 HVASMAKNCZFIJT-OAHLLOKOSA-N 407.544 1.540 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1740950676 CLTLYCGGPRWEOF-WBVHZDCISA-N 418.542 1.504 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1741000622 UOOLTIHREJCMBJ-SFHVURJKSA-N 401.496 1.685 30 10 HDEE CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C1CCCC1 1747946508 FCQUKOJZICHHEX-QGZVFWFLSA-N 424.509 1.529 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCNC(=O)C(C)C)CC1 1748993575 COZLBODVTMVFCQ-UHFFFAOYSA-N 415.567 1.161 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCNS(=O)(=O)CC)CC1 1748994790 RMPQDHBHBCKKCK-UHFFFAOYSA-N 422.599 1.095 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1749399001 YIVQZKPSDUWGNZ-HOTGVXAUSA-N 424.571 1.351 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(F)(F)F)C1 1749427186 MPZFMLQDNYFYRM-STQMWFEESA-N 408.446 1.914 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCOC1 1749595766 IAYQRFLEZJCLTC-JOCHJYFZSA-N 424.505 1.921 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CCN1CCOC[C@@H]1C 1749828427 BJVCACCJCMCRLM-KRWDZBQOSA-N 401.515 1.371 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1750060156 DPJIKVGMYZHGCP-INIZCTEOSA-N 424.509 1.924 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1760154587 GQWZHZRNTCBMQE-HNNXBMFYSA-N 401.492 1.257 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCS(=O)(=O)C1 1760198315 DWWKNPXLKQSTBJ-OAHLLOKOSA-N 417.922 1.891 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2ccc(OCCN(C)C)cc2)CC1 1760260515 VVYZMPGNYMLTCY-UHFFFAOYSA-N 408.550 1.899 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1760287413 RFEWRVASIWVFIL-XLIONFOSSA-N 416.551 1.982 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1760348916 QWIPZVNKLAHCPW-UHFFFAOYSA-N 418.542 1.589 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCOC2)C1 1760357970 PWXHETKVBKQMLQ-APWZRJJASA-N 410.540 1.390 30 10 HDEE C=CCCOCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760453054 WVLBUOYCIJBEFC-IBGZPJMESA-N 410.522 1.870 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1760514306 ARXYEMZRAPZNRB-SQNIBIBYSA-N 403.527 1.931 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]2CCC[C@H]21 1760549082 WGEXOZJXHLYDEG-HZPDHXFCSA-N 409.556 1.786 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1760552451 OBBSIARAMXLUTN-OAHLLOKOSA-N 415.523 1.601 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1 1766670608 FVSCMPUCRPDVKF-UHFFFAOYSA-N 413.507 1.469 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)[C@H]1CCSC1 1766959213 GBIIUZQURGLAFL-KRWDZBQOSA-N 412.519 1.617 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)C1=O 1767508498 QKVKJNNMVLCQHA-JXFKEZNVSA-N 414.441 1.203 30 10 HDEE COCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1769729684 IBJHOBWSPUIHAL-GOSISDBHSA-N 411.510 1.802 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCc2nccn2C1 1769995775 SPKVTTIQUCAIQU-QINHECLXSA-N 417.489 1.903 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCSCCCO)CCN1C1CC1 1770748810 RVLOSJKOWZOWCL-RDJZCZTQSA-N 406.556 1.074 30 10 HDEE COC[C@H](F)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1770793462 ZXVDQKOOUXEGLD-AEFFLSMTSA-N 411.441 1.844 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CC2(O)CC2)CCO1 1771536646 YUVDUXSTOXVIBM-OAHLLOKOSA-N 416.869 1.115 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CNC(=O)c3cc(-c4ccc(C)cc4C)nn32)CC1=O 1850570885 VSWUWTBGUYXVRX-QRWLVFNGSA-N 408.458 1.987 30 10 HDEE C[C@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@H](C)n1nnc2ccccc2c1=O 1851739033 GXCUJVKLEHMWIA-RYUDHWBXSA-N 411.853 1.987 30 10 HDEE COCCOc1ccc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1 1851790014 IFPGNHOLHVKISG-UHFFFAOYSA-N 410.474 1.957 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852053340 ZPYRZOFLGMBQKX-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)Cc2ccc3c(c2)OCCO3)CC1 1852526927 PZTZQPUSWNGGLN-UHFFFAOYSA-N 408.458 1.632 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H](N3CCN(CC(=O)C4CC4)CC3)C2=O)c1 1853652747 XXQNYCLJCSCDKU-FQEVSTJZSA-N 408.502 1.676 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2c(C)nc3ccccn23)C1=O)[C@@H]1CCN(C)C1=O 1853682354 KIDSJCBCUJAESC-DLBZAZTESA-N 409.490 1.493 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cc(-c4ccc(C)cc4)nn3C)C(=O)C2)C1 1853742170 URXUTEYEMYYRHL-IBGZPJMESA-N 407.518 1.940 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)cc1F 1853949155 YUKSMZSRZVNOAK-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cnn(C(F)F)c2)C1=O)[C@@H]1CCN(C)C1=O 1854082409 PNHJDEYLPYGUPT-LSDHHAIUSA-N 409.437 1.518 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCc4cc(Cl)ccc4C3)C2=O)CC1=O 1854213268 NHGLLNFIDRFYRS-WMZOPIPTSA-N 401.894 1.860 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cn(C)nc3C(F)F)C(=O)C2)C1 1854957800 OALYYXVHLTUBET-UONOGXRCSA-N 408.453 1.409 30 10 HDEE Cc1nn([C@H](C)CC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c(C)c1Cl 1855019135 JHSKQHQXIIKXBO-PBHICJAKSA-N 420.945 1.763 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)nn1-c1ccccc1 1855094030 HCPNGCCFZNPSJO-IBGZPJMESA-N 406.490 1.453 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CC1=O 1855594194 SDQDLXYGGCOJJT-INIZCTEOSA-N 407.467 1.656 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2)CC1 1855905923 JTBZODDLDDBPBI-IRXDYDNUSA-N 412.465 1.789 30 10 HDEE Cn1cnc2c1CC[C@@H](C(=O)N1CCN(CCOc3ccc(C#N)cc3)CC1=O)C2 1856267196 ZGROIWMKNRBIBT-QGZVFWFLSA-N 407.474 1.146 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)c1 1856306664 NDYNDXYXMXYVJT-OAHLLOKOSA-N 412.471 1.632 30 10 HDEE Cc1cc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)nn1C 1857473034 DEWNINQJOAORJK-HNNXBMFYSA-N 408.462 1.137 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334896 LKAOMBHRWLFMKS-MRXNPFEDSA-N 416.484 1.171 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2F)cc1 1858966095 AUFOTHFJDSZPDR-UHFFFAOYSA-N 404.419 1.733 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCc2n[nH]c(=N)s2)cn1CCN(C)C 1870576690 MHTDZXTZZPGMEP-UHFFFAOYSA-N 404.540 1.427 30 10 HDEE N#Cc1nc(-c2ccc(Cl)cc2)oc1S(=O)(=O)N[C@H]1CCS(=O)(=O)C1 1871287757 IZYDOUQSHSAEEM-NSHDSACASA-N 401.853 1.332 30 10 HDEE Cn1c(C(=O)O)c(/C=N/n2c(S)nnc(CCC(=O)O)c2=O)c2ccccc21 1873497917 FOJLTZSRELQIBW-QGMBQPNBSA-N 401.404 1.016 30 10 HDEE C#CCOC1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C1 1891617659 ONNOVELCNRRAOG-UHFFFAOYSA-N 402.925 1.663 30 10 HDEE N#Cc1cccnc1OC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1891714390 YLEWCIIUCRQURH-INIZCTEOSA-N 418.519 1.527 30 10 HDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CS)C(=O)O 1892297239 OBGFNVYAQHEDNK-BPLDGKMQSA-N 412.508 1.984 30 10 HDEE COC(=O)[C@H](CNC(=O)OC(C)(C)C)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1959428555 SFADSHRALUYICU-KGLIPLIRSA-N 412.487 1.498 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)COC1 1963727675 NWGLRXHHUYCXJR-SFHVURJKSA-N 414.506 1.764 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H]2NC(=O)OCc2ccccc2)c(N)c1 2044241789 JKTPUASKTRDXJP-IRXDYDNUSA-N 400.460 1.876 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2COCCN(C(=O)OCc3ccccc3)C2)cn1 2118163766 SQGRJWFGCPWXHH-KRWDZBQOSA-N 416.459 1.269 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 2174780848 ZAJJRXUTIFWXBB-DZGCQCFKSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174786348 JBUHAOGZKREOPZ-CABCVRRESA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174788126 BBNTWOMIKGZUSW-RMKBEBRYSA-N 420.557 1.574 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)C1CS(=O)(=O)C1 2186590891 MGRURLYZWSUTQC-JTQLQIEISA-N 400.331 1.006 30 10 HDEE COC(=O)NS(=O)(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1C 2202936951 FREKBMYZNXOZLS-UHFFFAOYSA-N 404.681 1.960 30 10 HDEE CC1(C)OB(c2cnc(N3CC(S(=O)(=O)C(F)F)C3)c(Cl)c2)OC1(C)C 2206682616 OQAFJTFKDVJYCM-UHFFFAOYSA-N 408.663 1.860 30 10 HDEE CC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243384069 JMTZOAKZLJIORX-GFCCVEGCSA-N 408.308 1.742 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402157 DBSBYJVOOTVZGH-GFCCVEGCSA-N 408.308 1.600 30 10 HDEE CCn1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247837811 YEOYWOYOOBUOLH-UHFFFAOYSA-N 420.319 1.551 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)n1 2247913798 ATPJTYTXVRJGCE-MDZDMXLPSA-N 420.319 1.530 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CNC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248064537 WRGUXKQDSSLUKG-OLZOCXBDSA-N 418.303 1.419 30 10 HDEE Cc1nc(C(=O)N2CCC[C@@H](C3OCCO3)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2267486649 LVZFRGXUZWNLOQ-CYBMUJFWSA-N 408.329 1.976 30 10 HDEE CC1(C)OB(c2cnc(NCCn3cc(Br)nn3)c(F)c2)OC1(C)C 2269000136 AHIWSIKCEANAJC-UHFFFAOYSA-N 412.072 1.986 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCSCC(=O)O)OC1(C)C 2269040440 MQRBDWNWLBNJNK-UHFFFAOYSA-N 407.344 1.143 30 10 HDEE CN(C)[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@@H]1O 2281932380 KPVQDQHOYYQQQF-RYUDHWBXSA-N 400.737 1.448 30 10 HDEE CN(C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C1CCS(=O)(=O)CC1 2281998959 VIQWMHHTVHYRDI-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CNC(=O)C[C@H](C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315313 MHESPUCSPVLTEO-NSHDSACASA-N 402.347 1.159 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2[C@@H](C)O)sc1B1OC(C)(C)C(C)(C)O1 2282317299 PEEXTRYPTVKPNL-CHWSQXEVSA-N 401.359 1.890 30 10 HDEE C[C@@H]1CNC[C@@H]1CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332894 HTSFSAYZXIHWGL-OLZOCXBDSA-N 400.375 1.571 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@@H](N)C(F)(F)C3)c2)OC1(C)C 2282345407 PBHQOQLOSHXOFQ-LLVKDONJSA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H](O)C3CC3)ccc2Cl)OC1(C)C 2282498740 IVTNIHCZHAZABN-HNNXBMFYSA-N 401.721 1.688 30 10 HDEE CN([C@@H]1CCC[C@H](N)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498772 JGKFNPSHZUWKDB-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282506869 YTTDIDZFHJITQT-BETUJISGSA-N 400.375 1.680 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC3(C2)CC2(C3)OCCO2)n1 2282550124 UZOBTBHUMYBYCC-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](CO)C[C@@H]1C 2282836993 RJGMTZAQXYXKIX-AAEUAGOBSA-N 401.359 1.747 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCNC1 2282850583 QSZFWYPJEISMGA-OLZOCXBDSA-N 400.375 1.714 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCSC(F)F 2282851048 WTBPYZLIERVKAS-UHFFFAOYSA-N 411.305 1.344 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1CN 2282852356 OCYBEMVIWRVPQC-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE C[C@H]1CN[C@H](C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282853667 HBLWBADFKYNRMC-QWHCGFSZSA-N 400.375 1.666 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282883512 BKONQILWLDKHEB-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284397668 OQFDAXCUPPGYPN-JTQLQIEISA-N 403.693 1.638 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@H]3C(=O)O)c2Cl)OC1(C)C 2284437700 WGZGSMHGEUBSMY-WPRPVWTQSA-N 401.677 1.361 30 10 HDEE CO[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)CC(=O)O 2284455762 MEAWIMXRFUWLPT-VIFPVBQESA-N 403.693 1.920 30 10 HDEE CN(CC1(O)CN(C(=O)OC(C)(C)C)C1)S(=O)(=O)c1ccc(C#N)c(Cl)c1 2287304577 QUGJZRUVHPYVOR-UHFFFAOYSA-N 415.899 1.814 30 10 HDEE O=C(CSc1nncn1N=Cc1ccc(O)c([N+](=O)[O-])c1)Nc1nccs1 2321270274 QWOXJIOZHAZBSL-UHFFFAOYSA-N 405.421 1.961 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]2COC[C@H](C1)[C@]2(NCC#CBr)C(=O)O 2324778760 FLCABAUHCZGUNE-GFEWXWENSA-N 417.300 1.705 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccn1 2331273642 LOTGJDFQNKYSOM-UHFFFAOYSA-N 403.493 1.932 30 10 HDEE Cc1csc(C#C[C@@H](O)C[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2338365630 SXBFOSKUBYFAQR-KGLIPLIRSA-N 400.522 1.588 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)C(=O)C#CC(C)(C)S(C)(=O)=O 2339661346 HENODNDOTYZFTJ-GFCCVEGCSA-N 400.522 1.975 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@H](O)c1cn(C)nc1I 2363683928 GJSMELBLCIAZFQ-CMPLNLGQSA-N 402.261 1.463 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](C1CCOCC1)[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365191756 QWPTYWLNWJKKBI-HZPDHXFCSA-N 403.541 1.741 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365211566 MOBYEBNBHMUKRD-ZOCIIQOWSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790187 GHRABZFPVORZJN-OLZOCXBDSA-N 415.537 1.306 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)CC[C@@H]1C 2367827296 GONSTQBFUHDNDW-KHYOSLBOSA-N 400.541 1.163 30 10 HDEE CO[C@H](C#C[C@H](N)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369567098 AQARXJHOHDJLEC-GVDBMIGSSA-N 400.541 1.460 30 10 HDEE C#CCN(CC(=O)N1C[C@@H](P(C)(C)=O)C[C@@H](C(=O)O)C1)C(=O)OC(C)(C)C 2370208264 UOYMXYJWFFPPMN-KGLIPLIRSA-N 400.412 1.781 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(N4CCN(C)CC4)nc3)cc2C1=O 14520014 HKBHAPYIFWEEPV-UHFFFAOYSA-N 405.458 1.868 30 10 HDEE Cc1oc2ncn(C)c(=O)c2c1C(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)cc1 111001495 UPYZPKQWVIRDDR-AWEZNQCLSA-N 423.454 1.860 30 10 HDEE CCOC(=O)CS(=O)(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404923524 IWNRUAHRMSFAJY-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Nc3cnn(CC(=O)NC4CCCC4)c3)C2)nc1 432962046 VGEUBBOHYVYNHA-GOSISDBHSA-N 423.477 1.894 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 435598932 QXCDIYWKAVWYGJ-MAUKXSAKSA-N 414.549 1.731 30 10 HDEE Cc1ccc(C(=O)Nc2snc(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 439287779 XWNCFYCEPDIHJJ-UHFFFAOYSA-N 406.489 1.905 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)c2C)cc1 465263322 MVJRHNIZKIUIPU-INIZCTEOSA-N 416.489 1.826 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 468212151 NCCBXDIQBPBNPX-HZPDHXFCSA-N 419.503 1.371 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 469536274 WFGYRBWNFVWUCQ-SJLPKXTDSA-N 418.490 1.978 30 10 HDEE COC(=O)CC1(NC(=O)CSCc2ccc(C#N)cc2)CCS(=O)(=O)CC1 474472442 WJSRIJLZUZQSDP-UHFFFAOYSA-N 410.517 1.418 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCCN(c2ccccc2C#N)CC1 474844429 WSQWFYHOSVCGNE-UHFFFAOYSA-N 413.503 1.779 30 10 HDEE CC(C)c1noc(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n1 481226883 CFFLWLDKWDJJCY-ZDUSSCGKSA-N 405.480 1.480 30 10 HDEE CC(C)[C@H]1OCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 489811892 LIXBBUYQQAVXJJ-IEBWSBKVSA-N 420.535 1.635 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)CC1 492352324 AHLXOHJYTSFHNK-UHFFFAOYSA-N 422.411 1.346 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)N1CCCCC1 503645873 WOMIPMOVJJQXKS-UHFFFAOYSA-N 418.519 1.368 30 10 HDEE N#Cc1ncn(CCNS(=O)(=O)c2ccc(Br)cc2C(F)(F)F)n1 511431701 XNISJSFRUCGILB-UHFFFAOYSA-N 424.202 1.910 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)C(=O)N2CCN3CCOC[C@H]3C2)cc1F 541665651 QGTCEZCZXASWCH-QGZVFWFLSA-N 424.432 1.971 30 10 HDEE Cc1csc([C@@H](C)NC(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 553421000 PPEAGGZBDMZCEV-CJNGLKHVSA-N 411.487 1.418 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2cc(F)cc(Cl)c2)c(=O)n1CC(N)=O 570224875 VTMUSHYQVMYSGJ-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccc(-n2ccnn2)cc1 574801296 MSPVBSVYOKFQKD-CQSZACIVSA-N 410.459 1.295 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccccc2)CCO1 579499651 YXBOADYJVRBSSV-IBGZPJMESA-N 402.458 1.816 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)Nc2c(C#N)cnn2C2CCOCC2)cc1 582702049 BMOIGYCMXYEIPF-UHFFFAOYSA-N 404.448 1.623 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 582741296 AIZNCDOGCFJPAJ-WMZOPIPTSA-N 422.526 1.748 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(c4ncccc4C#N)CC3)n2)n1 585587138 MCQFYRHDFZGNPH-UHFFFAOYSA-N 404.478 1.135 30 10 HDEE C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 587415991 JEMAOPQLPRTDFJ-FZMZJTMJSA-N 405.398 1.670 30 10 HDEE CC[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccccc1OCC(=O)NC 589886774 GKNKGKHFFDHQLO-KRWDZBQOSA-N 402.476 1.816 30 10 HDEE Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1C(=O)C(=O)Nc1ccc(C#N)cc1 615307019 HHIPYWNLBLYZBK-SFHVURJKSA-N 402.414 1.153 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN([C@@H](C)c2nc(C3CC3)no2)CC1 669807418 HMXXGRHORGNSPX-AWEZNQCLSA-N 414.514 1.746 30 10 HDEE C=CCOCCNC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 679586209 LPWWQSZDZOWMEP-UHFFFAOYSA-N 417.447 1.402 30 10 HDEE NCC#Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1F 703971983 MSACUIDDSBSVNI-UHFFFAOYSA-N 401.419 1.174 30 10 HDEE CCn1cc(-n2c(=C(C#N)C(=O)NC3CCCC3)sc(=Cc3ccoc3)c2=O)cn1 727417992 MZKVLUGRHWIMBM-UHFFFAOYSA-N 423.498 1.270 30 10 HDEE C#CCN(C(=O)COc1ccccc1OCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 729333034 IOWACJMVIDPDIJ-ZDUSSCGKSA-N 405.394 1.655 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C[C@@H]1CCCO1 729671028 BGCKDRIXQYZGFT-INIZCTEOSA-N 422.510 1.465 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 731213590 GYIAOVPCENKIIV-WBVHZDCISA-N 408.520 1.393 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)c1 732174071 SRFFCOJIXNYNLM-QGZVFWFLSA-N 403.504 1.073 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)c2ccc(C#N)cc2)cc1 732287719 DMRQPXYYAKWCQR-IBGZPJMESA-N 406.442 1.926 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1)/N=C1/NS(=O)(=O)c2ccccc21 749519482 QGWAXLGPKWYQGF-KGLIPLIRSA-N 421.519 1.694 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)[C@@H]3C[C@]34CCO[C@H](C)C4)CC2)o1 759673422 SNOIQUQEENTTRQ-IAMHBRQHSA-N 402.451 1.252 30 10 HDEE N#CCN1CCC(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)CC1 769430246 GURXELNQYPIXMG-UHFFFAOYSA-N 417.285 1.871 30 10 HDEE C#CCN(C(=O)Nc1cccc(C)c1C(=O)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774020283 ADBUIRATWQICBH-MRXNPFEDSA-N 403.504 1.885 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@H](COc2ccccc2)C1 790333071 IWXZNSJZLVJPKP-RUNIHZNKSA-N 400.435 1.002 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 790871110 NHRBQQGYEZUBFP-HOCLYGCPSA-N 408.455 1.876 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OCC)ccc2F)n1 795959692 JQMYWTPKQSOHSW-UHFFFAOYSA-N 423.466 1.669 30 10 HDEE COCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802430166 LJFBPKJKRQRVJO-CQSZACIVSA-N 420.315 1.859 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)C1CCCC1 810185236 PQAMHAGXYFOUHD-UHFFFAOYSA-N 405.524 1.573 30 10 HDEE COc1cc(CNC(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)ccc1C#N 811890144 JPEAGOFJRJRQSH-UHFFFAOYSA-N 417.510 1.919 30 10 HDEE COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@@H](C)Oc3ccccc3C#N)C2=O)c1 813547413 QAIXLZGKULVCGO-ASSNKEHSSA-N 408.414 1.833 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1C#N 813654573 SSCPQQYITYYZKU-MRXNPFEDSA-N 413.503 1.442 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)OCC(=O)N3)ccc1F 917808509 MZAZMNLGYICPLJ-UHFFFAOYSA-N 405.407 1.873 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(F)c(C(=O)c3ccccc3)c2)C1=O 1132509986 SRKPQYMXHROIKD-UHFFFAOYSA-N 409.373 1.972 30 10 HDEE CSc1cccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c1 1134423999 DXHBTEVZYPNNGO-BIENJYKASA-N 419.528 1.158 30 10 HDEE CC[C@@H]1[C@@H](CO)CCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1141550634 GNBKSWVUYDRJGP-NVXWUHKLSA-N 407.536 1.905 30 10 HDEE Cc1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)c(OCCN(C)C)c1 1147795602 DIBKBKVTGRTYRS-UHFFFAOYSA-N 416.503 1.724 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccccc3OC)C2)cc1 1151657300 ODDJZLZCAGTVIF-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](OCc3ccncc3)C2)s1 1154155849 XXLCNQSWGTYVCX-MRXNPFEDSA-N 421.544 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2=O)C1 1158428144 ZUAZQAQMCDVCBO-NZSAHSFTSA-N 424.501 1.998 30 10 HDEE C#CC[C@@H](NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1)C(=O)OC 1161357438 PXHCPPAYWBGUCV-GFCCVEGCSA-N 424.383 1.041 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCC(N2CC[C@@H](O)C2)CC1 1174742354 KUSOZWFTZPPSLK-PKOBYXMFSA-N 400.523 1.861 30 10 HDEE COC(=O)c1cnc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)s1 1179664366 SMPFSYDLHPRCEH-UHFFFAOYSA-N 411.436 1.339 30 10 HDEE COc1ncc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N 1209050188 AEFTWYVZKBKEKO-INIZCTEOSA-N 407.496 1.820 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1286470627 AOUSIDUKAGKNFR-MXLIYFDZSA-N 411.510 1.073 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(=O)OC 1287776898 GMWBXPQFWCUYJA-GOSISDBHSA-N 424.519 1.264 30 10 HDEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1297466248 FJWLBPIBAPMMQN-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE CN1CC[C@@](O)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC[C@@](C)(C#N)C2)C1 1298877454 FPCAJXHLUHRIEF-SFTDATJTSA-N 424.509 1.122 30 10 HDEE C#C[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1300004810 RKLLGCHCVNBRLQ-INIZCTEOSA-N 418.515 1.730 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)CN1CCOCC1 1300267728 JDHWKJJVVATHTR-DLBZAZTESA-N 404.559 1.623 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1300428642 KVYWOFCZZMOECM-OWSLCNJRSA-N 401.511 1.378 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1300431098 SRCIMTDSFGKJBX-OAHLLOKOSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1300493510 VUHPXNNHEQVCHO-OXQOHEQNSA-N 417.535 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCS1 1300520999 QZCQEAXECQPLKA-SFHVURJKSA-N 404.503 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC1 1300690246 FEPBQFGGVHFPCS-OAQYLSRUSA-N 420.517 1.768 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1300755091 LBOMUTFXRXFCPS-HNNXBMFYSA-N 407.565 1.884 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1300928680 LNKVUAGCRJTRFS-HOTGVXAUSA-N 410.588 1.775 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1300948764 ADLCMAGWZCOFDO-CABCVRRESA-N 407.482 1.182 30 10 HDEE C=C(C)COCCn1c(N2CCC(C(=O)NC)CC2)nnc1[C@@]1(OCC)CCOC1 1301002483 ZZKXNAKZCUDLOA-OAQYLSRUSA-N 421.542 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](OCCOC)C1 1301491286 OCSJKPQYUMWBPS-INIZCTEOSA-N 402.499 1.218 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCOC2)C1 1301493252 WYXMXOBQIMJRKU-IBGZPJMESA-N 402.886 1.913 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1301520945 UUZLZZHHHAFVGG-SJORKVTESA-N 415.498 1.226 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@@H]1CC[C@H](CO)O1 1301805107 DVSSJEXIXHQQKI-JKSUJKDBSA-N 403.458 1.991 30 10 HDEE CC(C)[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1302782456 IHDPCRJAQCETJV-NHKNDPDJSA-N 414.510 1.618 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CC2(CCOCC2)C1 1303802760 COVOHSDTXCTKOR-GJZGRUSLSA-N 424.571 1.833 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1316112036 VHJOINHIAYOREE-FQEVSTJZSA-N 412.450 1.406 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1323718768 OYFLRQQSQQXMQQ-SFHVURJKSA-N 403.504 1.762 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cc3c(c(S(N)(=O)=O)c2)CCC3)CC1 1328879636 AVEONIOQVBJJON-UHFFFAOYSA-N 411.487 1.052 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCOC2)CCN1C1CC1 1332145243 PKALSRVKZXWKAS-RDJZCZTQSA-N 422.493 1.138 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)[C@@H]1c1cccc(C)c1 1349462668 HGXLILMHCIGRFP-APWZRJJASA-N 422.489 1.975 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1358927947 OVQJGJFWUWYMEX-KRWDZBQOSA-N 416.526 1.012 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)[C@H](C)C1 1358933858 GTCYUOXYLVSWET-CQSZACIVSA-N 400.508 1.350 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(-n2cccn2)c1 1358991346 WPBWXQWBUUJHGA-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1359007798 WHEOTQPPGOUMFD-LSDHHAIUSA-N 408.462 1.593 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(O)CC)CC1 1359037845 ZGQCPVFAQYGZNG-HSZRJFAPSA-N 411.550 1.988 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1359218093 XGIRZQJQFZZMFN-QGZVFWFLSA-N 421.509 1.762 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(O)cc1 1359240767 XEHIUCBVIWNXHH-KRWDZBQOSA-N 421.523 1.182 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(Cc1ccco1)C(C)C 1359301320 WQXDTFZKIORWGA-OAHLLOKOSA-N 421.523 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@H]1C 1359302181 YNXHUJLIIAGSMG-OAHLLOKOSA-N 414.485 1.367 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1359331240 RWFBQQPAZJFUNR-DOTOQJQBSA-N 418.523 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1359333196 QHMXAZOUUQAPTJ-IKGGRYGDSA-N 410.540 1.388 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)Cc2c(C)cc(C#N)cc2C)C1 1436121071 TYNDPTCKGVGQDD-GOSISDBHSA-N 407.536 1.617 30 10 HDEE CN(C[C@@H]1CCCN1C(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1444878170 HALWIIKVPAVRER-AWEZNQCLSA-N 405.455 1.069 30 10 HDEE C=CCC1(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CCOCC1 1452999728 VPYYRMVSPKSUMR-UHFFFAOYSA-N 409.508 1.555 30 10 HDEE Cc1cc(Br)c2c(c1)CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)C2 1454689659 CUQXWNDBIWGXTP-UHFFFAOYSA-N 417.263 1.867 30 10 HDEE C=CC[C@]1(C(=O)NCc2cn(CC)c(=O)nc2O)CCCN1C(=O)OC(C)(C)C 1455126983 XEWKPINLSBXYHV-HXUWFJFHSA-N 406.483 1.931 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@]1(OC)CCS(=O)(=O)C1 1455968105 WGFNHRCRJJLISD-MLGOLLRUSA-N 410.920 1.342 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)C2)nc1 1456060955 KERWDDGXDCRZOF-YJBOKZPZSA-N 418.457 1.497 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)NC[C@@H](c2ccccc2Cl)N2CCCC2)CC1 1460120156 BACVXACOPUKFHR-IBGZPJMESA-N 417.941 1.651 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1 1460609839 ZUJBTTBBNNZZNV-HXUWFJFHSA-N 413.503 1.533 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1ccc(CC)c(S(=O)(=O)N2CCOCC2)c1 1461048548 OBVGLOXMDFBZIW-ROUUACIJSA-N 408.520 1.591 30 10 HDEE C=CCOCCCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1468752503 ORHCTLJUQITKMC-UHFFFAOYSA-N 410.540 1.015 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1 1468991049 YFWSDYRQLYUNPF-KRWDZBQOSA-N 405.520 1.768 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)NCCNS(=O)(=O)c1cccnc1 1469470322 YLDREYGGHZTPKL-UHFFFAOYSA-N 401.492 1.552 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(C2(C(=O)OC)CC2)cc1 1475471313 ZWXIHZZEGFSFQS-UHFFFAOYSA-N 407.488 1.857 30 10 HDEE Cc1ccc([C@H](CNC(=O)NCCn2cc(C#N)c(O)nc2=O)N2CCCC2)cc1 1477673498 FGBZKNKHWUXARX-SFHVURJKSA-N 410.478 1.265 30 10 HDEE C=CCn1cc(CNC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nn1 1478855483 OTQCTZQUPGOLEH-FZMZJTMJSA-N 407.418 1.115 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1503436509 GSUKXBMOPVGDSW-JOCHJYFZSA-N 424.505 1.273 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)C[C@@H]1C 1503888811 GDEZNGQLTICBFX-HNNXBMFYSA-N 421.465 1.385 30 10 HDEE COCC1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC1 1504693209 FPVMWEIKLFQTDG-UHFFFAOYSA-N 418.523 1.229 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1507536033 AACLLFUDIKHZBX-YOEHRIQHSA-N 419.507 1.140 30 10 HDEE C#CCCCn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1507598221 CRURSYFSMIJTHX-QFBILLFUSA-N 412.556 1.601 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1c(C)cccc1C 1507600363 FYMMKPBXMHCVCR-INIZCTEOSA-N 405.524 1.654 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN(CC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507635610 UKFIVKUURORJJF-GOSISDBHSA-N 405.568 1.342 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2C[C@]2(O)CCOC2)CC1 1507718694 GRUIJJRLVLOAAQ-NFBKMPQASA-N 409.534 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1507722772 ICZUUQQEVAUBSE-SFTDATJTSA-N 420.517 1.623 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1507747598 IRAXOEKEWWHBSK-MRXNPFEDSA-N 411.491 1.976 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCN1CCC(O)CC1 1507764256 KUSBBMSSYBFXBL-XMSQKQJNSA-N 419.570 1.841 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1507777993 BWRWTSNVBLTOHN-NWDGAFQWSA-N 422.349 1.412 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@@H]2COCCO2)C1 1508129636 SGHHPXLZBCXYJG-OKYOBFRVSA-N 422.526 1.589 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)CCOC1 1516220895 FWGUMOAMEHXBHP-GRDNDAEWSA-N 413.425 1.083 30 10 HDEE COCCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1519063326 VUQRSVCWSMMQCF-OXJNMPFZSA-N 403.531 1.328 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccccc1 1519324904 IHUQJLFEMASEQY-AEFFLSMTSA-N 401.467 1.810 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cn3nccc3nc2C)c1 1526859748 DIWCFHZTLLAICH-UHFFFAOYSA-N 403.442 1.525 30 10 HDEE C=CC[C@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)cc(OC)c2OC)C1 1533764681 XUFNWTQTGSIDMY-HNNXBMFYSA-N 424.519 1.763 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)CC1 1535152377 SLTPBYFTFVUHAB-UHFFFAOYSA-N 414.462 1.181 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1COCCO1 1539001438 AVMNYVUFIAIDSA-CABCVRRESA-N 418.523 1.112 30 10 HDEE C#CCCCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1539139126 BUHZCKYBBHRVCB-WIYYLYMNSA-N 403.527 1.696 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(O)CCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539225490 OHSPYNAFPVPKNL-LAUBAEHRSA-N 420.579 1.799 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CC(=O)N(C)C 1539242538 WZFVOCZZROHXQC-UHFFFAOYSA-N 400.280 1.869 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1539416925 VEECGROBGSOJPA-KRWDZBQOSA-N 418.519 1.323 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1539437921 KACSWNSPTPYYSD-JPYJTQIMSA-N 409.534 1.803 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCC(=O)N(CC)CC)CC1 1539446957 MDMBYWZQRZTFME-SFHVURJKSA-N 402.543 1.186 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)[C@@H]1C 1539520072 MEFYCVZGSZOUIG-INIZCTEOSA-N 423.546 1.550 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)Cc1ncnn1CC(F)F 1539533800 VBLOSPSLKZFBPG-CYBMUJFWSA-N 411.482 1.989 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC 1539539619 WCLSOPSEAHUPTM-SQGPQFPESA-N 422.599 1.755 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1539608658 BZPMOEPRRAZIKO-VXGBXAGGSA-N 409.350 1.981 30 10 HDEE COC(=O)c1c(C)cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nc1C 1539948659 JMXVVZWPBSFAJT-UHFFFAOYSA-N 402.432 1.162 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1540853277 VRVXLFMHBGZVLW-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE Cc1nnc(N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)n1Cc1ccc(C#N)o1 1543319810 MSFLAHVDXNARLD-INIZCTEOSA-N 411.510 1.623 30 10 HDEE CC[C@H](Sc1nc(CC(=O)N2CCC(C#N)(C(=O)OC)CC2)cs1)C(N)=O 1544636610 PBGASSGQCWSTGW-LBPRGKRZSA-N 410.521 1.347 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1544812233 OUYSBLDVFORUGQ-RHSMWYFYSA-N 403.479 1.587 30 10 HDEE CC/C=C/Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@](C)(C#N)C1 1546794214 UFLOYJZSZLEBSK-KCVJVMPHSA-N 422.555 1.707 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(CC(C)(F)F)CC1 1558585730 MBQRHMJJCQZXRT-CYBMUJFWSA-N 400.451 1.024 30 10 HDEE COC(=O)/C=C/[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1558833429 FMNMMXWEVJTYNK-IXLVIVEVSA-N 407.492 1.374 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1565056050 QHFWDXPJCBBHAA-KRWDZBQOSA-N 404.534 1.801 30 10 HDEE C#C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCOCC1 1586730791 WCYJBLFCQGPPJH-FQEVSTJZSA-N 404.532 1.948 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1Cc1cn(C2COC2)nn1 1588015606 AOXGWMXINIOCBX-UHFFFAOYSA-N 407.478 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1588090589 YTDARQSXHKXIJL-QFIPXVFZSA-N 416.522 1.446 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N(C)CC(=O)N1CCOCC1 1589043092 UOJZIBNQNXYYNW-UHFFFAOYSA-N 413.547 1.915 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1595884752 RWLALMARFVAQBZ-HNNXBMFYSA-N 406.556 1.695 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OCC 1596595835 MAKAGALWGWWTNV-GOSISDBHSA-N 408.520 1.545 30 10 HDEE COCCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc2ccccc12 1611165729 TTYYONQPHDXNMT-XOBRGWDASA-N 415.471 1.270 30 10 HDEE Cc1nc([C@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCO2)no1 1612385834 HFAWSDISLNVEGZ-MRXNPFEDSA-N 409.450 1.857 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCOCC1 1613261899 UOKIBDLCUZLLEO-CQSZACIVSA-N 412.494 1.868 30 10 HDEE CCc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614050631 MAHHCJFQHXNPID-ZBBYCGENSA-N 414.510 1.620 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1618129457 BDUPJDOUNGMSSG-UDJKBAMHSA-N 423.477 1.339 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCN(C(C)=O)C1 1619399339 AJKUWMIEHMMLGA-QZTJIDSGSA-N 424.505 1.941 30 10 HDEE COCC[C@](C)(O)Cn1c(COc2cccc(C)c2)nnc1N1CCO[C@@H](C#N)C1 1619779276 GNVRTRUXSVGGNJ-RXVVDRJESA-N 415.494 1.682 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1ccc(OCCOC)c(Br)c1 1622318042 GLJXKIAYNQDAPY-GFCCVEGCSA-N 406.298 1.527 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCOC1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1624176456 BHVKTOCTASWLDV-GOEBONIOSA-N 404.467 1.546 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)CC2)cc1 1624602908 BRWSXLWPIRRJJB-UHFFFAOYSA-N 410.455 1.397 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccc3O)CC2)s1 1630282281 KRFMAKOMQNCENC-UHFFFAOYSA-N 421.544 1.809 30 10 HDEE COCc1nnc2n1CCN(C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)C2 1634174220 AMFGKYQXUSWFLW-UHFFFAOYSA-N 406.450 1.422 30 10 HDEE CSCC[C@H](C(=O)N1CCN(CCC#N)CC1)N1C(=O)c2ccccc2C1=O 1635905621 GFKVGBHABYISPF-QGZVFWFLSA-N 400.504 1.462 30 10 HDEE Cn1ncc(I)c1CNC(=O)NCC1(C#N)CCOCC1 1637927648 HLMYJJRCDDMKPU-UHFFFAOYSA-N 403.224 1.144 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N=c1nc(C)[nH]n1-c1ccc(C#N)cc1)C2=O 1638367429 YWYFYSGEELBDID-CYBMUJFWSA-N 414.425 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(c3cc(F)ncn3)CC2)CC1 1641161493 HLLMKJQFRMDADT-UHFFFAOYSA-N 417.485 1.915 30 10 HDEE C=CCN(CCC#N)CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1643205913 YGXXWVVQHSEYKU-UHFFFAOYSA-N 420.535 1.672 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cn(C(C)(C)C)c(=O)nc3O)cc2C1=O 1644347777 GVRSVHJLMLKGPE-UHFFFAOYSA-N 410.430 1.416 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@H](n3nncc3I)C2)cc1O 1644371496 AFAAIFWPFHAJRA-LBPRGKRZSA-N 423.214 1.937 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)c2)C1 1644638498 SOKOMYJEDUQRJO-UFYCRDLUSA-N 406.486 1.792 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Br 1646304417 FNNISSHXTWOJSO-SNVBAGLBSA-N 405.314 1.803 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3NC(=O)c3ccccc3)C2)c(=O)nc1O 1648029107 XVLYPTZGRDDTKC-UHFFFAOYSA-N 415.409 1.770 30 10 HDEE O=C(CNC(=O)c1ccccc1OC(F)F)NC[C@H](O)C(F)(F)C(F)(F)F 1650955204 RUIHKXIGXAZURD-VIFPVBQESA-N 406.254 1.693 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1Cc1ccc(S(N)(=O)=O)c(Cl)c1 1651880021 CEMILGSFLCVQNJ-LBPRGKRZSA-N 406.899 1.360 30 10 HDEE C#CC(C)(C)N(C)CC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1 1654133105 KOGJAOZEQALGAQ-UHFFFAOYSA-N 403.527 1.950 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1654480236 YUPWQUYGBTXEJB-AREMUKBSSA-N 412.533 1.108 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC2CCN([C@H]3CCOC3)CC2)cc1 1665970278 YVMPAOOKRFCEHP-SFHVURJKSA-N 422.551 1.868 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3)C[C@@H]2C)c1 1666230034 USRBLPAWZUXEMC-INIZCTEOSA-N 400.504 1.897 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc2c1N(C)C(=O)CO2 1680187519 CFTGJZDJSDWKID-ZDUSSCGKSA-N 407.434 1.446 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCO[C@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1682373584 LCJODNMRNIOOFP-RDJZCZTQSA-N 423.514 1.120 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3nc(-c4ccncc4)cs3)C2)c(=O)nc1O 1683880637 AEBHMZKPVPGNGI-UHFFFAOYSA-N 409.431 1.106 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1690008198 ZGOXPWFTAJCXIU-UHFFFAOYSA-N 424.530 1.561 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1 1690020148 ZPHHSKGGRBXWPD-SFHVURJKSA-N 412.515 1.700 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nc(C)c(C)s1 1690102345 IQFIEGJHSRUPJJ-HNNXBMFYSA-N 402.524 1.631 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC1CN(C(=O)OC(C)(C)C)C1 1690104173 ORGBBOFMTXDEKP-QGZVFWFLSA-N 419.526 1.735 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCOC2)CCOC1 1692584185 UPDUNKMSYKQTDW-RTWAWAEBSA-N 419.526 1.600 30 10 HDEE C[C@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H](C)O1 1693808254 QGXIEGRBXGXAIC-CICGVWCYSA-N 400.483 1.686 30 10 HDEE CC[S@](=O)CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1696525968 ALQDHGUXPHNUOO-RAALOAAWSA-N 413.519 1.529 30 10 HDEE C=CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C(F)(F)F 1703050050 ODZSIQRGOBFVTN-DEQQHWRFSA-N 404.429 1.900 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OC)c1OC 1705571945 MCVQHRKRPIDXHU-UHFFFAOYSA-N 407.474 1.652 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(CS(C)(=O)=O)CC1 1705576882 SGWAAXGXKNDVHN-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCN1c2ccccc2C[C@@H]1C 1705580090 DAMPROIRLQHARV-PKOBYXMFSA-N 402.502 1.753 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1705595777 GITFQSUMQTZOPJ-UHFFFAOYSA-N 416.529 1.967 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC 1705609647 LGUACXZAXHUNFA-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@]2(O)CCOC2)n1 1705631020 OLHMXTBANVMDHQ-NRFANRHFSA-N 416.526 1.210 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OC)c2OC)CC1 1705639329 LYVBFNSJEAJHKZ-SFHVURJKSA-N 411.506 1.603 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1705721652 OEHCADGGOUYBCS-QGZVFWFLSA-N 422.530 1.152 30 10 HDEE C=CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OCC)CCOC1 1705809562 VLWBWSKCYFIKBV-LPHOPBHVSA-N 412.556 1.910 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1 1705876260 SOTICMGHJKOBGD-MDCZIUGASA-N 410.540 1.289 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705900029 NOTOOLSRJWGGLM-JOCHJYFZSA-N 424.480 1.823 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1705907463 NQRFCNVEUMDQMI-HXUWFJFHSA-N 424.549 1.276 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1705922021 DSIIZNGXCORHSC-RDJZCZTQSA-N 420.539 1.285 30 10 HDEE CCc1nnc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C(C)=O)CC2)s1 1709018342 FKJZVRPEYJEYDQ-UHFFFAOYSA-N 422.518 1.947 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@]2(C)COCCO2)CCOC1 1710451568 CVADOVBWTXSHLP-LEWJYISDSA-N 419.526 1.866 30 10 HDEE CCOCc1nnc(N2CCO[C@@](C)(CC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1710747673 WZKSYKCJODSUBX-IVFAQJDTSA-N 418.498 1.346 30 10 HDEE CN(C)C(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1710983531 BUYDSFULCPKMTK-KRWDZBQOSA-N 407.478 1.488 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)CCCC1 1712685367 DHQWEJYLHXCHAU-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)c1 1712877209 FBCZJGPRRNRWAL-KRWDZBQOSA-N 410.503 1.991 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)NCCC)[C@H]1CCS(=O)(=O)C1 1722366672 JNDAQARGZITIMN-INIZCTEOSA-N 409.556 1.020 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722366814 SNXQLSARXCBELL-DLBZAZTESA-N 404.540 1.705 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCc2cccnc21 1722382689 JHAUMCIYKNQXIA-RTBURBONSA-N 423.542 1.768 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1722398314 ZLMHUWDNLHITMS-HNNXBMFYSA-N 417.560 1.710 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1722685636 HXSZZTSJFFBAFK-SFHVURJKSA-N 402.543 1.493 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1722698069 TXTXKYLIPJQTCP-QFIPXVFZSA-N 422.464 1.879 30 10 HDEE CC(C)(C)NC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722975481 ZBVSBSNAALHDPX-IAGOWNOFSA-N 415.542 1.611 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1724235553 LSEODCGQHYTVQS-ZWKOTPCHSA-N 409.494 1.381 30 10 HDEE CCc1nnc(N2CCC[C@@H](c3ccnn3C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1727578643 PBGMQEYQPMTBRJ-MVZUJROASA-N 424.509 1.484 30 10 HDEE CCOc1ccc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1728865587 HQCHXHJLYAKZMX-INIZCTEOSA-N 421.461 1.919 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1729153002 CQYHDCMWPZNQDT-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1740533349 QWMQYPRLQLSRRQ-KBPBESRZSA-N 401.496 1.042 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(F)F 1740599607 DAOOJSCXLDEUQX-LBPRGKRZSA-N 413.450 1.607 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1740794168 RJWKVGVENSOXJE-UHFFFAOYSA-N 404.540 1.895 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1c1nncn1C 1740858687 XPNRNXQKPYEASC-CABCVRRESA-N 422.559 1.715 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740964673 GIKWIVXBVWVBHS-RBUKOAKNSA-N 406.462 1.063 30 10 HDEE CCOCc1nnc(N(C)[C@@H](C)CC#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1747014561 AFXMKYNCJCEWPO-HNNXBMFYSA-N 417.514 1.808 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(c2ccnn2C)CC1 1748732390 ZKMRAYQULRTXDB-HNNXBMFYSA-N 419.555 1.419 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1CCO[C@H](C)C1 1748847295 RADOBFBVBBZBMC-FGTMMUONSA-N 404.536 1.458 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CCCCCO)CC1 1749017101 WEMPJIBNOPTXOY-UHFFFAOYSA-N 410.522 1.392 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749039640 XWCDYFRETGMWKQ-SJORKVTESA-N 403.552 1.740 30 10 HDEE C#CCSCCn1c(N2CCO[C@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1749049296 HUNZMXXDPNJGIG-WOJBJXKFSA-N 422.551 1.292 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1)OC 1749328396 OTXXZXIZYQPEMD-WIYYLYMNSA-N 413.478 1.474 30 10 HDEE C=CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1749440313 XFCCJANGYWDDJD-UWJYYQICSA-N 418.542 1.937 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1749670333 PXJBWJWSZLHALI-SJORKVTESA-N 416.526 1.413 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccn(C)n2)C1 1749697162 IATOYLZDNXHTLS-YLJYHZDGSA-N 402.499 1.493 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cnccn1 1749731375 CFYCLMLYLSWOLX-HNNXBMFYSA-N 406.512 1.199 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1750083669 VONNKRAXYQRWDN-KRWDZBQOSA-N 412.494 1.394 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)CC1 1750385463 OFFULOHTWKFGFX-SFHVURJKSA-N 416.526 1.802 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCC2(O)CCOCC2)CCO1 1750385864 CDLRLULENFQENX-OAHLLOKOSA-N 401.442 1.745 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCCn2cc(CO)nn2)C1 1751273136 CEKFJURWULZJSG-FQEVSTJZSA-N 407.482 1.644 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1760188526 BMLOEDCLLXQFCX-IBGZPJMESA-N 416.547 1.841 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760190073 XYASOKBKSJBMKX-BZSNNMDCSA-N 422.551 1.573 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760192921 ZRGBFVHUXGJFMZ-HKUYNNGSSA-N 416.547 1.725 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C 1760219430 DWDCPAIUGVEUII-GOSISDBHSA-N 414.535 1.307 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCS1 1760242963 TVXUCCBKOCREEM-CABCVRRESA-N 415.585 1.260 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1760248176 CSRINJOBEMFYEQ-KRWDZBQOSA-N 416.526 1.154 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](c2ccsc2)N(C)C)CC1 1760260546 WTFVQZBLSLIVAV-IBGZPJMESA-N 422.562 1.855 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccsc1 1760274251 HUKJIMHLIXMGTR-CYBMUJFWSA-N 413.594 1.953 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@H](CN2CCOCC2)C1 1760279013 OLBAIKDSZYFPJD-GOSISDBHSA-N 412.563 1.865 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COCC)n1CCNS(=O)(=O)c1ccccc1 1760297935 OIDJBWDVFWGURO-HXUWFJFHSA-N 417.535 1.785 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@@H]1CC 1760358937 CEUCPBNMYFMDSB-SFHVURJKSA-N 423.521 1.824 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1760462302 XEBDKBJMTWOQQM-HNNXBMFYSA-N 402.499 1.475 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCO[C@@H](COc2ccccc2)C1 1760550761 IPPILLYXWLZCKZ-GOSISDBHSA-N 406.508 1.472 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC(N)=O)n2Cc2ccc(C#N)o2)CCOC1 1761274092 LBKCXMPVUJYPFD-JLTOFOAXSA-N 416.482 1.532 30 10 HDEE CCO[C@@]1(c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2Cc2ccc(C#N)o2)CCOC1 1767417287 YXTNOGCDIZTSQT-XOBRGWDASA-N 414.466 1.110 30 10 HDEE CO[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1768016961 JGTPYTNWIBBIFV-INIZCTEOSA-N 404.478 1.968 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCCOC2)n1CCC(=O)N1CCOCC1 1770757022 SGYQHVQJKGSCRJ-GOSISDBHSA-N 416.526 1.551 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1771135543 CINYYNUVFDYREL-QFIPXVFZSA-N 423.521 1.063 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1CCC(C(=O)N2CCC(C#N)CC2)CC1 1848996503 PHUWYPRTBDTJSK-UHFFFAOYSA-N 407.478 1.491 30 10 HDEE C=CCN(C(=O)C1CN(c2nc3c(OC)cccc3s2)C1)[C@H]1CCN(C)C1=O 1849904104 PALOERNDAWOXMI-AWEZNQCLSA-N 400.504 1.986 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1nnn(-c2ccccc2)c1-c1ccncc1 1850929432 SOJXIMLMHSVIQU-UHFFFAOYSA-N 402.458 1.395 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H](C(C)C)N2CCS(=O)(=O)CC2)nc1C 1852059113 ZGJBGTNOMQRLHD-QGZVFWFLSA-N 406.508 1.182 30 10 HDEE Cc1ccc(-n2nnc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)n2)cc1 1852072489 DDBANUBPFQEUCK-UHFFFAOYSA-N 418.461 1.216 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(F)cc2)CCO1 1852749520 XOZYENXOZKYYPH-IEBWSBKVSA-N 417.462 1.466 30 10 HDEE C=CCN(Cc1cnnn1C)C(=O)[C@@H]1CCCN(c2ccc(-c3nc(C)no3)cn2)C1 1853591907 YNIAJMIDIRIIOI-QGZVFWFLSA-N 422.493 2.000 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cccc(-n3cccn3)c2)C1=O)[C@@H]1CCN(C)C1=O 1854240615 FCRLEOBWRKYLOD-MOPGFXCFSA-N 407.474 1.332 30 10 HDEE Cc1noc(C)c1C(=O)N1CCCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854881609 UGSCFVAZLOHEAD-KRWDZBQOSA-N 409.446 1.843 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccccc3Br)C(=O)C2)C1 1855018420 ACPZSIPGIIIXPO-AWEZNQCLSA-N 405.296 1.721 30 10 HDEE N#CCCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)C1 1855553254 XYQRALOMFXFXKX-UHFFFAOYSA-N 404.492 1.059 30 10 HDEE COCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)c3ccc(CC#N)cc3)ccc21 1856088646 SBTPDGIPUFHUAM-UHFFFAOYSA-N 413.455 1.640 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C1(C)C 1856767797 QAPWEBZWBLYLBW-HZPDHXFCSA-N 424.567 1.332 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)CCc3ccc(OC)cc3OC)C(=O)C2)C1 1856836156 JAKPYWGNSCYWLD-LJQANCHMSA-N 415.534 1.958 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc(OC(C)C)nc2)C1)[C@H]1CCN(C)C1=O 1857236685 KKSBACFFABSXCT-AEFFLSMTSA-N 414.506 1.576 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cc1cnn(C)c1 1857484257 JQJDTHNMSZTQHA-UHFFFAOYSA-N 416.503 1.665 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(N)c2)[C@H]1c1ccc(O)c(O)c1 1862557484 LKJXMYCGSJPEPV-GOSISDBHSA-N 411.414 1.394 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2cccs2)CC1=O 1874275143 XHDUCTKYEWJWJI-YTTILGKYSA-N 406.537 1.914 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC[C@@H](COc4cc(C#N)ccn4)C3)cnc2s1 1891286597 HCBIXPJUPBKDMP-CQSZACIVSA-N 410.459 1.657 30 10 HDEE Cn1nccc1-c1cncc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1891613595 JHMXNTMYJJZBOH-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@H]2CC[C@H]1[C@@H](NC(=O)C(F)(F)F)C2 1982281962 RUHQJFJSGSHWGA-GUBZILKMSA-N 405.236 1.756 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 1985201951 DWNOHBHGXDHIKS-SFHVURJKSA-N 414.506 1.452 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N[C@@H](CC#N)C(F)(F)F 2046061985 LWVUTBSFQPFITD-SWLSCSKDSA-N 421.372 1.775 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CCN(S(C)(=O)=O)CC2)OC1(C)C 2143456657 MHCQSOFEXZULRA-UHFFFAOYSA-N 401.725 1.116 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1COC(C)(C)CN1S(=O)(=O)N1CC[C@@H](C#N)C1 2194650085 PVOAHODUUAWVGQ-KBPBESRZSA-N 402.517 1.081 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNOCc1ccccc1 2243388958 OWTDZJMWEISSCQ-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@H](NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243432067 SSKAVORUZCDUNY-YJNKXOJESA-N 410.320 1.955 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NCC2CN(Cc3ccccc3)C2)OC1(C)C 2247858540 OFGNNBVQIMFMGE-UHFFFAOYSA-N 408.311 1.638 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCc3nccn3Cc3ccccc3)[nH]n2)OC1(C)C 2247915403 BAGFWEUGKQHWPX-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE CN(C)[S@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2267467222 BLGUNUQSLDSTDS-XMMPIXPASA-N 408.376 1.452 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@H]3C(=O)O)cc2Cl)OC1(C)C 2269027635 CHXNSXVGLRFJLP-APPZFPTMSA-N 407.706 1.452 30 10 HDEE C#CC[C@@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270514951 NVXZTGNKARJUEJ-SJLPKXTDSA-N 422.503 1.520 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1CO 2282321833 BXBXYYUIQIYKQQ-OLZOCXBDSA-N 401.359 1.795 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[S@@]1=O 2282338784 UDNGCOHTLXHTAV-VWLOTQADSA-N 419.399 1.579 30 10 HDEE COC1(OC)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282353013 SDWKGXZKYCNJJO-GFCCVEGCSA-N 403.331 1.477 30 10 HDEE C[C@@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491149 KOTNLKYIUCYCDQ-RISCZKNCSA-N 400.737 1.525 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H](CO)CC2CC2)OC1(C)C 2282493427 TWMZEEQTOFXDBL-GFCCVEGCSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCc2cnsn2)OC1(C)C 2282506122 NQAVBWFLIKARDN-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE Cn1nc(C(=O)N2CCC(C3(C)OCCO3)CC2)cc1B1OC(C)(C)C(C)(C)O1 2282602054 NLBPYOXGUZNZSX-UHFFFAOYSA-N 405.304 1.335 30 10 HDEE CC[C@@H](CSC)N(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282838134 JKGFZMVDEFVVRH-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE CCON(CCN)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282842856 DUXDVKRKLCVIMR-UHFFFAOYSA-N 404.363 1.565 30 10 HDEE CCN1CCC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282856669 WKHWWTLAHUMZEU-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE C[C@H]1CC[C@@H](CO)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282862184 ZJQHBDMDTTVJEG-STQMWFEESA-N 401.359 1.829 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284395949 RLKMYUFTNSYXOL-NSHDSACASA-N 403.331 1.839 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3C[C@H](C(=O)O)C3)cc2Cl)OC1(C)C 2284408920 CEWFTNMGIOUJIB-KYZUINATSA-N 421.733 1.842 30 10 HDEE COc1ccc(OCc2nnc(SCC(N)=O)n2N=Cc2cccn2C)cc1 2328371717 HEFGZWKAJHMUSZ-UHFFFAOYSA-N 400.464 1.664 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@@H](O)c1nn(C)cc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c1ccc(CN2C[C@H](C(=O)N3CCO[C@H](C#N)C3)CC2=O)cc1OCC 42254 RHNFODVAEOZMGA-IAGOWNOFSA-N 401.463 1.583 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)cc1 20806268 JMWUGIFPBANKGT-KEBDBYFISA-N 413.463 1.883 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 31796207 MQLSXCGZVMCNOE-ZDUSSCGKSA-N 424.436 1.926 30 10 HDEE CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCN([C@H](C#N)C(C)C)CC2)cc1 111010868 BUSKWHPFTKLAMW-QPGLYAHGSA-N 404.536 1.690 30 10 HDEE Cc1ccc(NS(=O)(=O)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)c1 405130986 GCIJGCUBUSUQOQ-UHFFFAOYSA-N 403.331 1.081 30 10 HDEE CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)[C@@H](C)n1cnc(C#N)n1 409806577 UJEZFVCDPYBOTK-CQSZACIVSA-N 414.466 1.983 30 10 HDEE C=CC[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 410075223 QGEOSMBPAQGUJS-CQSZACIVSA-N 418.471 1.925 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(OC)ccc2Br)CC1 438209422 NKWRUPSISLAOCO-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE N#CCCN(CC1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 439321261 FTNMQBCGDXVFBM-QGZVFWFLSA-N 419.503 1.730 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)o2)c1=O 440381516 QPSJUBLGIWPKCP-UHFFFAOYSA-N 416.462 1.454 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCC3CCC(C#N)CC3)CC2)cn1 441001833 QFVSMRZYHICBDW-UHFFFAOYSA-N 408.528 1.202 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1 462757831 UHLLXQPGYRQJRS-HNNXBMFYSA-N 416.503 1.804 30 10 HDEE Cc1c(C#N)cccc1NC(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 462922858 BJVVMYHFZQUMIY-UHFFFAOYSA-N 412.471 1.662 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCC2CCN(CC#N)CC2)C1 464971591 JAACVPBESGBMAY-KRWDZBQOSA-N 423.539 1.044 30 10 HDEE C[C@@H](O)CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466054597 SEGBLFOFHJSXLY-OAHLLOKOSA-N 408.524 1.371 30 10 HDEE C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cn(-c2ccccc2)nn1 472884732 HEIYWMPSINSPDQ-OAHLLOKOSA-N 424.486 1.950 30 10 HDEE CO[C@@H]1CCC[C@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 474206804 AOLLMJYRPSCERS-FUHWJXTLSA-N 405.520 1.986 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(C(C)C)nn2-c2ncccn2)CC1 474826016 QXSNWVYUQYAEAH-UHFFFAOYSA-N 412.498 1.237 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCC1 477499717 CKQRJRKKSDBSNF-LJQANCHMSA-N 417.579 1.939 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1=O 480695972 VJKGVCQOYVKMKV-MRXNPFEDSA-N 405.455 1.041 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2cccc(O)c2)c1 497788385 QLEKLNVUFKZHTL-KRWDZBQOSA-N 404.444 1.501 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)cc1 507952399 QLXCAZXCCFYIDI-UHFFFAOYSA-N 414.487 1.981 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508933208 XGSHMXCFLZWWAK-INIZCTEOSA-N 401.492 1.786 30 10 HDEE CNC(=O)C1CCC(NS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 544651430 FLRVSLZBIRHWPD-UHFFFAOYSA-N 400.298 1.904 30 10 HDEE N#CC1(CS(=O)(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CCCC1 546070531 APVLWNXOXKILSD-UHFFFAOYSA-N 424.954 1.992 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC)CC1 549039361 LOQQXTSHPKMIAO-UHFFFAOYSA-N 412.494 1.160 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 551064496 FCGMEYNGULQTHQ-INIZCTEOSA-N 408.414 1.667 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 555256297 HWPAEDGMJRUHOO-GJZGRUSLSA-N 412.560 1.205 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2F)CCNC3=O)c1 556350862 NXIFAJUEIDSHPN-UHFFFAOYSA-N 403.435 1.828 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccccc2)CC1 569828945 AJQDLXFVRFIAFE-UHFFFAOYSA-N 405.506 1.746 30 10 HDEE COCCN(Cc1ccc2c(c1)OCO2)C(=O)C(=O)NCc1ccc(C#N)cc1F 586864822 ICBZIPPSWYNHKZ-UHFFFAOYSA-N 413.405 1.717 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1)C(C)C 589188345 NPQSQHSCUSFROX-VQTJNVASSA-N 406.571 1.965 30 10 HDEE C=CCOC[C@@H](O)Cn1c(N/N=C/c2ccc(C)cc2)nc2c1c(O)nc(=O)n2C 606630931 SBKDUXLFHDRJHP-LKKXKRCMSA-N 412.450 1.154 30 10 HDEE CNS(=O)(=O)c1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 612834997 YNWCXRMKSBNUDC-UHFFFAOYSA-N 400.464 1.215 30 10 HDEE C=CCOCCNS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 679474024 CGMUTEMOVXLLSN-IYBDPMFKSA-N 416.565 1.834 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(C)c2C)c1=O 725764111 IOBIIRJVWMWKEK-UHFFFAOYSA-N 414.531 1.169 30 10 HDEE CCc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 727416449 PUDNEYHRDDFVDO-UHFFFAOYSA-N 405.479 1.836 30 10 HDEE CC(C)[C@@H](OC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)C 729699182 FLBZAGBDSGKAGJ-GOSISDBHSA-N 423.535 1.942 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@@H]2CSCN2C(C)=O)cc1 730312667 QTPOKODESUUDQN-KRWDZBQOSA-N 405.476 1.797 30 10 HDEE CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 732464893 BVRZQHVASIOCPJ-MXLIYFDZSA-N 419.526 1.631 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CCN1C1CC1 733261190 OFGFKLRUFLKFIV-RTWAWAEBSA-N 403.486 1.621 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(=O)(=O)NC(C)C)c[nH]2)c1 741145760 JRTHAASVQJOAOP-UHFFFAOYSA-N 402.476 1.393 30 10 HDEE C#CCN(CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)[C@@H]1CCS(=O)(=O)C1 744397155 BYAPSOUZRQZPTC-MRXNPFEDSA-N 404.488 1.789 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=O)[C@H](OC(=O)CNC(=O)c2ccc(C#N)cc2)C1 744932740 HPMWZALXGYDGIF-MRXNPFEDSA-N 401.419 1.410 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)[C@@H](C)OC)c2)cc1C#N 747496145 ZFDKWPWOMCVXKG-CYBMUJFWSA-N 410.430 1.795 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 755212798 GLFAUFLZNRPBMH-SJORKVTESA-N 421.542 1.194 30 10 HDEE C#CCN(C(=O)N[C@H](c1c(C)nn(C)c1C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 757891932 YATFWNMVNQZEDQ-GXTWGEPZSA-N 406.430 1.472 30 10 HDEE CCOc1cccc(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 760804150 CHTNRTKGWYDYGP-CQSZACIVSA-N 416.503 1.656 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)cn1 763717269 UDICCMOITLPWFW-UHFFFAOYSA-N 412.431 1.769 30 10 HDEE COc1cc(N2CCN(CC3=CC(=O)n4c(nc5ccccc54)[C@H]3C#N)CC2)ncn1 763943040 ZVVZNYROIWGYJL-INIZCTEOSA-N 415.457 1.844 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2ccn(C)n2)cn1 765547278 MIGSMOSVBZJNJT-OAHLLOKOSA-N 401.496 1.437 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c(-c2cccs2)n1 769636903 NARWLQLXPTZBGN-HNNXBMFYSA-N 423.523 1.577 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 774197629 ZRGASEVGUSHJFH-HXUWFJFHSA-N 403.548 1.731 30 10 HDEE CC(C)(C)OC(=O)NCCC(=O)NC[C@H]1CCCCN1C(=O)c1ccc(C#N)nc1 775465674 OROUURAOXRMFKF-QGZVFWFLSA-N 415.494 1.979 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)nc12 784508850 KZNUJUGCIHJKMC-QMMMGPOBSA-N 406.324 1.897 30 10 HDEE O=[N+]([O-])c1ccc(NN=CCC[C@@H]2CCOC2)c(S(=O)(=O)N2CCOCC2)c1 786035636 DVEWCVAFJIKHOH-CQSZACIVSA-N 412.468 1.830 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(CCC(CC)CC3)C2=O)n1 788370395 TUQGUBCTXCYUQF-UHFFFAOYSA-N 401.511 1.813 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)n1 790104789 WQNSTBCVZBNSQI-UHFFFAOYSA-N 404.492 1.485 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC1CC(N2CCCCC2)C1 794205430 CBKVGMAEELIZTI-UHFFFAOYSA-N 404.536 1.638 30 10 HDEE COC(=O)/C=C\c1cc(OC)c(OC)c(S(=O)(=O)Oc2cccnc2C#N)c1 795283662 QKRLWLJSTLIMDO-SREVYHEPSA-N 404.400 1.924 30 10 HDEE C[C@H](C(=O)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1)n1cnc(C#N)n1 798361187 XUUHVKYOIBENCV-MRVPVSSYSA-N 400.311 1.755 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2COCC[C@@]2(C(=O)OC)C1 802578705 YOFKZHHVEGPYND-MGPUTAFESA-N 403.483 1.106 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@H](C(=O)OC)C1 809886464 ZWRHESXLCRMRAU-GJZGRUSLSA-N 421.498 1.772 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1)c1ccc(F)cc1 812933665 JYPOZQJXACGJHM-LPHOPBHVSA-N 404.486 1.368 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC[C@@H]3Cc4ccccc4O3)cc2C1=O 918812065 CMUKIWUKCCEFAR-INIZCTEOSA-N 420.421 1.745 30 10 HDEE CC(C)c1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(O)cc3)n2)o1 1084001016 JNDNYLBZHLZJFO-UHFFFAOYSA-N 416.467 1.871 30 10 HDEE CCCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1snc(C)c1C#N 1133873616 FSTVDOJCMHQETQ-GFCCVEGCSA-N 423.520 1.232 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCC(=O)Nc2nnc(C3CCCCC3)s2)CC1 1137371797 XQWXQFUKCKVEST-UHFFFAOYSA-N 418.523 1.889 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2CC[C@@]3(O)C[C@H]3C2)cc1[N+](=O)[O-] 1147427406 ISBIICSCDJZQNK-VBKZILBWSA-N 411.418 1.977 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)o1 1147668056 FPIUTOGKHMDYIZ-UHFFFAOYSA-N 415.471 1.980 30 10 HDEE C#C[C@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CCOCC1 1148195546 XDFRVMSXYKXVNI-PKOBYXMFSA-N 410.474 1.081 30 10 HDEE N#CC[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C(F)(F)F 1156052783 FFNQKYCEEVEWSJ-JSGCOSHPSA-N 405.398 1.718 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C3=NN(c4ccc(F)cc4)C(=O)CC3=O)CCO2)cc1 1157529749 DQRLJJZQVLCULG-IBGZPJMESA-N 420.400 1.959 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1165558300 FRZCTXODMQUVEC-KRWDZBQOSA-N 420.477 1.273 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1191582565 FILKLBORZDUOBT-OKYOBFRVSA-N 424.519 1.533 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1214395995 IKHKASHEPUKCSR-OAHLLOKOSA-N 409.508 1.766 30 10 HDEE C=CCn1cc(CNC(=O)NCCCNC(=O)c2ccc(Br)cc2)nn1 1221717725 QPSXARGQAOYGRM-UHFFFAOYSA-N 421.299 1.846 30 10 HDEE C=CC[C@@H]1CCN(C(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 1221902691 GTVSKUCLGZINHT-QGZVFWFLSA-N 406.552 1.730 30 10 HDEE CN(C)C[C@@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1CN(C)C 1233991257 PADLATQTWPFSSF-NHCUHLMSSA-N 423.565 1.840 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1235390879 CITPONAHYZRQFX-KGLIPLIRSA-N 405.879 1.790 30 10 HDEE Cc1ccc(CN2CC[C@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1235507100 MTXKRSTXBDSBSS-BJLQDIEVSA-N 402.520 1.149 30 10 HDEE N#CC1(CNC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)CCOCC1 1256340237 JKZNKSIEUMRFQY-UHFFFAOYSA-N 406.508 1.543 30 10 HDEE COc1ccc(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)cc1S(C)(=O)=O 1264925483 HVYZHUCZCWOMKD-UHFFFAOYSA-N 414.487 1.764 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCc3ccccc3NC2=O)cc1 1277685816 MVGCECODLRICHU-SFHVURJKSA-N 412.471 1.562 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H]1COCCO1 1286290319 RNVNCMYPMOMSSA-HOTGVXAUSA-N 422.489 1.548 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286312716 YWEQKCHYWPEPRS-KRWDZBQOSA-N 412.538 1.813 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1286397237 YJUWNVFHQRXOEY-IRXDYDNUSA-N 406.552 1.839 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCS(=O)(=O)NC(C)C 1286437526 IHZPBWVSCKJJTJ-UHFFFAOYSA-N 405.524 1.741 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(C)C)N2CCCC2)CC1 1286479235 GHEOBIXWEZNHRH-VQTJNVASSA-N 400.571 1.658 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCC)C1 1286810842 WMZRPJXNOGGUDA-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE CC(C)CCN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1287572768 FZEVHQBEBRPISX-VLGSPTGOSA-N 417.514 1.425 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)n1 1290619960 GGVKRRUVFDJLCM-ZWKOTPCHSA-N 413.526 1.810 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1 1290861339 RSDDBEHUZWOULS-HUUCEWRRSA-N 401.529 1.081 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@@H](CC(N)=O)C3)C2)C1 1294431034 DQINTFSKUIBVPD-ANZKDXPISA-N 404.511 1.887 30 10 HDEE CCN(CC)[C@@H](C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1295375087 YWZOBXWPMYMWTE-LSDHHAIUSA-N 415.498 1.465 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H](S(=O)(=O)NCC)C3)n[nH]2)c1C 1295764446 ZSHZBAJHOMWGQQ-AWEZNQCLSA-N 406.512 1.230 30 10 HDEE COC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1299476105 CGQCWMJKSDIODW-MRXNPFEDSA-N 403.508 1.865 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(F)c(F)c1)[C@H]1CCS(=O)(=O)C1 1300497251 AEDNQYKMXUZFNP-HNNXBMFYSA-N 408.474 1.988 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(CCC)C1 1300557232 RDHNDOHZFMTBOE-ROUUACIJSA-N 420.583 1.083 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OCC)c2ccccc2)CC1 1300698615 WGERUQMVZYWXNJ-PMACEKPBSA-N 422.533 1.762 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H](C2CC2)N(C)C)CC1 1300712328 PCWXLSIHPJMNEE-GOSISDBHSA-N 400.571 1.882 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C(F)(F)F)C1 1300732781 PEVRTQYZNKGNRF-GFCCVEGCSA-N 405.446 1.550 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1300869587 MUDYPHPLVFSUOE-OALUTQOASA-N 403.527 1.643 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301239871 WJQQMOSDYQUGFU-OAHLLOKOSA-N 404.515 1.905 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1301830634 YJSALBYKISZCSZ-KRWDZBQOSA-N 423.477 1.230 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1 1302264433 FRNMHJMLYMDOCR-ORAYPTAESA-N 421.477 1.586 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CCOCC1 1307467148 YBMIYMJEHBQGQL-RTWAWAEBSA-N 412.534 1.481 30 10 HDEE O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1308062831 WLXTWMDHNAGLSI-QYZOEREBSA-N 423.513 1.418 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](NC3CCOCC3)C2)C1 1312468816 IFOWNNYBDCHSSH-SZMVWBNQSA-N 421.542 1.688 30 10 HDEE CC[C@@H](C)N[C@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccco1 1312679888 INKDTZOYJBTXPH-IUODEOHRSA-N 400.439 1.109 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CC[S@](=O)C[C@@H]2c2cnn(CC)c2)cc1 1312736738 RMNATFZMMRZUQI-GDJIYFAZSA-N 400.504 1.930 30 10 HDEE CN(Cc1ccco1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1314758652 YSJLWQCKYCJKNW-STGLLQLASA-N 412.450 1.538 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1314815458 KMPZAXXFFULCTB-UFOSLELVSA-N 411.466 1.272 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNS(=O)(=O)C2CCS(=O)(=O)CC2)ccc1OC 1318472828 ZCEJORYTTQCVNE-AWEZNQCLSA-N 416.521 1.373 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358915561 HVROOZVJTINXNB-MRXNPFEDSA-N 407.540 1.217 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C1CCC(NC(C)=O)CC1 1358919821 LJKUBYGDXNHLSG-OOHWJJMZSA-N 424.571 1.185 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358965954 FJIRIOMALVLEKP-RBUKOAKNSA-N 419.595 1.732 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ncccc1N(C)C 1359026157 MYYNTIYALCCUBX-UHFFFAOYSA-N 405.506 1.859 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCOC[C@@H]2C1 1359053053 ZVYHAWWICDZSQL-INIZCTEOSA-N 418.954 1.881 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359059323 JOWASEDCOACYCQ-KRWDZBQOSA-N 402.568 1.933 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359075914 KEHMUDBQSXNZNN-QWHCGFSZSA-N 423.315 1.138 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1359154770 BIFAUGGQCZKGLR-LBPRGKRZSA-N 408.915 1.689 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1359346264 GZTUCWYCGQEUCC-JXFKEZNVSA-N 423.583 1.812 30 10 HDEE C=CC1(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1442818488 WCDPDASXMWIVJT-QGZVFWFLSA-N 420.554 1.740 30 10 HDEE CN(C)C[C@@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1449064246 SIWQVMYVYSBQKK-FUHWJXTLSA-N 402.495 1.431 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nccnc2C1 1454118583 QIWHYPVDJJFVCV-MRXNPFEDSA-N 413.503 1.515 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1456231284 ZDYMUEFRFCYZRV-HZPDHXFCSA-N 417.510 1.861 30 10 HDEE N#Cc1cc(NC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)ccc1Br 1456320920 HNCBYSVGLJHUMD-UHFFFAOYSA-N 422.260 1.832 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H]3C[C@@H]32)c1 1456676305 OIHPKHWQYHLTTG-IRXDYDNUSA-N 421.519 1.985 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](c3n[nH]cc3C(=O)OCC)C2)c1 1460531268 AEWQYAYYANFIGC-OAHLLOKOSA-N 409.446 1.705 30 10 HDEE N#Cc1c(NC(=O)CN2CCC(O)(COCCO)CC2)sc2c1CCCCC2 1460801081 LURCNMKOVXVDOJ-UHFFFAOYSA-N 407.536 1.663 30 10 HDEE C[C@H]1CN(CCCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@@H](C)O1 1465683834 GXAICDFHJFYJHZ-GASCZTMLSA-N 411.499 1.742 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1466064281 JJAUUARJMIRELR-HZPDHXFCSA-N 412.494 1.692 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(-c2nc[nH]n2)ccc1F 1467591332 AEDLPJKPVFVACA-UHFFFAOYSA-N 414.422 1.678 30 10 HDEE COC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CCCOC1 1470033071 OMJOCHMPGHHCSO-FHWLQOOXSA-N 400.479 1.400 30 10 HDEE C[C@@H](C(=O)N1CCC(Nc2ccccc2C#N)CC1)S(=O)(=O)C1CCOCC1 1470616630 WHTYDZVHLAACOR-HNNXBMFYSA-N 405.520 1.943 30 10 HDEE CN1C(=O)c2ccccc2[C@@H]1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471130322 HRVATRNFXKWTAJ-KRWDZBQOSA-N 401.419 1.680 30 10 HDEE Cc1cccc(=O)n1C[C@@](C)(O)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1471648119 UKXMNJMVUKRKHL-OAQYLSRUSA-N 404.316 1.993 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2SC[C@H](C)C#N)CC1 1476141312 ATDVHZSUZAECSO-OAHLLOKOSA-N 421.548 1.555 30 10 HDEE CN(C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1503397839 GSWJDPRKRKRIAA-JXFKEZNVSA-N 422.599 1.898 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCCCCO)CCO1 1505321541 CBBPKAHQNOINEU-OAHLLOKOSA-N 423.477 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1507517109 OREKWYCIJHJKPX-KBPBESRZSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCS(=O)(=O)C1 1507547448 LNDGGBSOFLGZFN-NCOADZHNSA-N 410.540 1.285 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H](OC)C(F)(F)F 1507611484 RBJOFZUPCAKDGE-OAHLLOKOSA-N 420.399 1.958 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCOCCOC)[C@@H]1CCS(=O)(=O)C1 1507629564 OASFQZXPPIFEHX-GOSISDBHSA-N 418.519 1.235 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1=CCCOC1)[C@H]1CCS(=O)(=O)C1 1507630826 IMRMFORNYZTERH-INIZCTEOSA-N 401.492 1.247 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCN1C1CC1 1507703084 QDHVWHRAYYRAGJ-IBGZPJMESA-N 414.554 1.617 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1COCCO1 1507707643 BJDNMZOXMIILOD-QGZVFWFLSA-N 414.462 1.218 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2nccs2)CC1 1507738771 YCBHMKLKJSRSCR-UHFFFAOYSA-N 422.518 1.400 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccon1 1507799774 SIHNJKWINFAXRM-INMHGKMJSA-N 421.523 1.786 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(O)CCOC1 1507814816 OOTKZCWXKDQMMC-FQEVSTJZSA-N 420.535 1.902 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](O)CC2(CCCC2)C1 1508071557 AGIBKUDBUVAURZ-DLBZAZTESA-N 421.542 1.436 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)C(C)(C)C1 1508140261 HFRHQCPUFQDXGM-HUUCEWRRSA-N 409.556 1.702 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2cccn2)C1 1508159750 PTHPTGBQSBEUHF-JKSUJKDBSA-N 417.539 1.250 30 10 HDEE CCN1CC[C@H](Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)C1 1515849096 KCHILECHPLTJQK-WFXMLNOXSA-N 418.542 1.389 30 10 HDEE CN(C)CC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1517005437 HDPPKQXDVCBCPY-UHFFFAOYSA-N 416.551 1.639 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1517108446 VUYVRGICOKZWOM-DLBZAZTESA-N 423.477 1.626 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@H](OC)C(C)(C)C 1519160517 BSMZDJBZGZHIJN-INIZCTEOSA-N 406.531 1.942 30 10 HDEE Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1C#N 1538938269 GHRKHEKSILCEOR-UHFFFAOYSA-N 400.460 1.213 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1539045303 SDXWRMYTZKJDCK-QGZVFWFLSA-N 402.543 1.962 30 10 HDEE COc1ccc(C)cc1-n1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1539117871 CSDFQYFBNIBUFH-IFXJQAMLSA-N 400.460 1.200 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539202510 JFULTKKIEIJENR-QGZVFWFLSA-N 418.567 1.798 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1539216789 XHECCIDKEULDDB-RCCFBDPRSA-N 404.536 1.763 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCC2(C1)OCCO2 1539417723 RCABOTVVHIRVFR-IBGZPJMESA-N 411.506 1.893 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1C[C@]1(C)CN(C)C1=O 1539420110 BLPQFZDGAPNFNW-QFIPXVFZSA-N 411.506 1.730 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@H]2COCCO2)CC1 1539462805 ZNVVLZFIWVPXOO-KRWDZBQOSA-N 415.469 1.167 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC#C)CC#C 1539509936 AXTMNOMVDASOAA-UHFFFAOYSA-N 416.510 1.631 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)cc1 1539613759 HPZOZZHUQYQFNO-UHFFFAOYSA-N 403.460 1.365 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](COC)C1 1539902596 KYVLIWARSZAQPV-LSDHHAIUSA-N 415.560 1.342 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1540020686 VSYPZKKGVZORMK-HNNXBMFYSA-N 419.486 1.278 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1540107014 GWYNWARWGJRZBL-MEUCICPISA-N 412.494 1.853 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCC[C@H](OC)C1 1540866195 GBDMCPCLVSZFBI-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H]2CCCCN2CC)C1 1540890436 FBRIJHOZWZAINN-KZNAEPCWSA-N 402.543 1.885 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1540905351 VNEGAQRWJYWOBF-QGZVFWFLSA-N 409.556 1.136 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(F)c(N2CCOCC2)c(F)c1 1542978827 YWRUBHDHXMLHSR-KNTRCKAVSA-N 406.389 1.058 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@H](CO)Cc2ccc(C(F)(F)F)cc2)c(=O)nc1O 1545612819 YOBMOGFSBNJUFC-CYBMUJFWSA-N 424.379 1.197 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OCC)CCOC1 1547245833 DJALJSNHSQOBAW-MOPGFXCFSA-N 408.478 1.288 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC2CC2)CCOC1 1547883052 DIRHEDDTONENCA-HXUWFJFHSA-N 402.499 1.196 30 10 HDEE CN(C)C(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(C#N)C1 1552698465 AUTUWUSBVXWNGL-HXUWFJFHSA-N 410.482 1.534 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OC(C)(C)C)C(=O)OC 1556375777 RZEJFMBVYFYZOX-TYILLQQXSA-N 400.472 1.261 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1557218700 ALAUXQYJJCBPCG-ZWKOTPCHSA-N 406.504 1.038 30 10 HDEE C=CC[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1561460767 WYRCUGCYQMSYOB-UONOGXRCSA-N 406.501 1.050 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](O)COc1ccc(I)cc1 1566338875 SOYDTPWPRIYUAJ-YUELXQCFSA-N 417.243 1.738 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cc(Br)cc(S(N)(=O)=O)c1C 1586376993 FDXIEEQYPXJRMQ-GFCCVEGCSA-N 403.298 1.563 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1588064648 MLXZZESEKRVMSQ-QGZVFWFLSA-N 406.552 1.817 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N1CCCCC1 1588128475 LWXAZGOYDWGFHW-UHFFFAOYSA-N 422.489 1.481 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1588400264 YZEPVPRKPUIKTP-DLBZAZTESA-N 420.558 1.996 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](C)N2CCOCC2)CC1 1588768334 FDNDDFSUNAFRPH-IBGZPJMESA-N 419.533 1.293 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(O)CCC2)CC1 1588877309 ZAUFDOIESDLDGK-ROUUACIJSA-N 403.527 1.062 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NC[C@@]23COCCN2C(=O)COC3)cc1OC 1595390419 ZUFYOFHDRQRKSG-JKTFDMFLSA-N 402.447 1.017 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)NC)C1 1595700192 LXFNFLDTQYSQLX-KRWDZBQOSA-N 416.507 1.147 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@H]1C 1596383657 BKFQHGCQVKRGQU-UNEWFSDZSA-N 412.446 1.421 30 10 HDEE Cn1nc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1C(F)(F)F 1597753512 MQTFHWRDBJSDTG-UHFFFAOYSA-N 415.397 1.896 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)C1=O 1597805096 ZNDGFCMLZQNEGT-NWANDNLSSA-N 418.247 1.180 30 10 HDEE CN(CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1)C1=NS(=O)(=O)c2ccccc21 1611499771 IAEOHSIWMJVYSB-GOSISDBHSA-N 424.482 1.539 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)n1 1612493516 XPVLXHIWYHIGCQ-RBUKOAKNSA-N 400.462 1.060 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1619833024 GVDIMYFXEGYHSP-OAQYLSRUSA-N 412.494 1.680 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1620356362 XQLQVBKDUUUUHQ-GOEBONIOSA-N 421.452 1.358 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nccnc2SCc2ccccc2)CC1 1627014887 FBEYDZBVUPVCOK-UHFFFAOYSA-N 423.542 1.666 30 10 HDEE C[C@@H](CNC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CN1CCN(C)CC1 1627134751 IVHGDEZWXTUILY-ROUUACIJSA-N 409.575 1.963 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@]2(C)CCNC2=O)cc1 1630687247 NCLUZGGLYDBUOE-NDWLXSOOSA-N 406.508 1.744 30 10 HDEE Cc1cccc(N2CCN(CCC(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC2)c1 1631841667 AFLHSTGFBAASNT-UHFFFAOYSA-N 423.521 1.577 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)[C@H]3CCCC[C@H]32)c1 1632268082 KGQGOHYULHJZOC-CEXWTWQISA-N 418.515 1.792 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3CN(C4CCOCC4)C3)c(C#N)c2N)cc1 1634947023 MFRPTYBXVIMPDU-UHFFFAOYSA-N 422.533 1.794 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](CO)C[C@H](OCCOC)C1 1635550053 DWVLMVYHSVIJME-JYJNAYRXSA-N 420.934 1.895 30 10 HDEE COC(=O)C(C)(C)CN(CC(C)C)C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1636742415 YNMCSJXUYZRFQJ-HNNXBMFYSA-N 423.535 1.909 30 10 HDEE COC(=O)C[C@H]1COCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1638305720 NEUFDYIONSWILS-HNNXBMFYSA-N 422.279 1.547 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639174879 CWWMUOZHHWFFTG-LSOMNZGLSA-N 409.508 1.030 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1639974026 UAZIMXRINCCWBU-HNNXBMFYSA-N 416.279 1.514 30 10 HDEE CCOC(=O)CON=C(C(=O)N1Cc2ncccc2N2CCC[C@H]2C1)c1cc[nH]n1 1640218726 KAGGVIJUAKYSGI-AWEZNQCLSA-N 412.450 1.100 30 10 HDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1641574603 PNVHFYOBJDFSQV-ZDUSSCGKSA-N 404.410 1.216 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)OC 1642698442 VHRMBNLFHVDOSY-KRWDZBQOSA-N 406.460 1.996 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@H]3CCC4(CCOCC4)CO3)CC2)cc1 1644910806 UUWGSHSVVWLGMZ-LJQANCHMSA-N 419.547 1.840 30 10 HDEE O=C1NC(=O)[C@H](CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1645938395 RVXHMVBMFMWFQR-JKUQZMGJSA-N 409.233 1.214 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1648072894 MVCANTPUMUUHLB-IRXDYDNUSA-N 403.527 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](CN(CCC#N)CCN3CCOCC3)OC2=O)C1 1652627588 OZHYUKQCCHKFHR-QGZVFWFLSA-N 422.526 1.087 30 10 HDEE CC(C)C[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1653073216 VFNDTMXJFBPUCW-YZVOILCLSA-N 413.540 1.713 30 10 HDEE CC1(C)NC(=O)N(CCCN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1=O 1654990919 KJQZLZCUQCKBMS-UHFFFAOYSA-N 421.505 1.791 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)c1cc(C#N)sc1[N+](=O)[O-] 1655562131 WRIFVDPMQRNVDK-UHFFFAOYSA-N 400.413 1.830 30 10 HDEE CC[C@@](COC)(NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C(=O)OC 1658897803 CPVNOQOVJNLLSY-SFHVURJKSA-N 400.397 1.731 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1663428865 LDHOYLUTXKFONQ-SJORKVTESA-N 400.522 1.483 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(S(=O)(=O)CC[C@H]4CCOC4)CC3)n[nH]2)cc1 1664302907 AUGBHTFDENFLDK-QGZVFWFLSA-N 415.519 1.827 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1c(C)nn2cc(Br)cnc12 1669875026 BTOJOXOSYLYAOL-JQWIXIFHSA-N 401.286 1.670 30 10 HDEE C#CCCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(I)cc1 1682317483 RAIROJMUVUTJLA-CQSZACIVSA-N 411.243 1.887 30 10 HDEE C#C[C@H](NC(=O)N1CCC(O)(COCCO)CC1)c1ccc(Br)cc1 1683680466 CYIWDBGMDPTSDD-INIZCTEOSA-N 411.296 1.669 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)CC2)cn1 1684076731 KVUFGGHSKFXUFM-IBGZPJMESA-N 411.487 1.455 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)NCC3(C#N)CCC3)CC2)c1 1686827473 BKMLXYQAFIBAMA-UHFFFAOYSA-N 404.492 1.251 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1CCC1(O)CCOCC1 1689975065 IWZAGBIXGKYDNR-UHFFFAOYSA-N 400.479 1.867 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1690010061 UXOUSMNASGEVFU-SFHVURJKSA-N 407.499 1.714 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)[C@H](C)CC 1690189777 BMFMWZDSUCJEAN-GPMSIDNRSA-N 410.588 1.611 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1690342225 FXVCGABGACJICB-OAHLLOKOSA-N 421.933 1.708 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690469378 NDBDTWAFDZQOSK-SFHVURJKSA-N 402.543 1.639 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CC=CCO2)C1 1690700513 TVQMXGGJYRBEEX-YESZJQIVSA-N 408.524 1.307 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCCOCC1 1690719552 PCEARBMWMWEEII-UHFFFAOYSA-N 411.915 1.821 30 10 HDEE CCOC[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1696377839 RJEHAMTWEXUORS-LSDHHAIUSA-N 419.507 1.556 30 10 HDEE COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1697992049 FFMSQHUQHGNSDZ-UHFFFAOYSA-N 411.510 1.651 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCOC[C@@H]2CCCO2)CCO1 1698494598 XIWFSNITULIAQK-KSZLIROESA-N 405.499 1.834 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705517049 NQZPSXHGCIUOIM-SJORKVTESA-N 409.556 1.351 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1705536785 WGOOAPDURCJHJO-IBGZPJMESA-N 421.505 1.444 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1C1CC1 1705628067 WYSSBGMJBWFABE-ZWKOTPCHSA-N 400.527 1.332 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@@H]2C)CC1 1705649150 MHUYPAIORJCBQI-FUHWJXTLSA-N 410.522 1.912 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)OC)C1 1705693802 KPKWVDADMBYPNX-IKGGRYGDSA-N 417.510 1.495 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705785949 BXYGAJRAGJHULS-KKUMJFAQSA-N 424.571 1.205 30 10 HDEE C[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1708112790 GCGLKCSZVRTDSJ-DOTOQJQBSA-N 414.535 1.944 30 10 HDEE CCOCc1nnc(N2CCC[C@H]2CSC)n1CCN/C(O)=C1/N=CC=CC1=O 1710718660 VCUVMBQNGANVFY-DNZUHHBVSA-N 420.539 1.673 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CCO1 1711362782 FWUCRGGGODTVGL-QAPCUYQASA-N 410.478 1.195 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OCC)c1 1722278579 RCAWBUPLZSNCCN-HZPDHXFCSA-N 419.551 1.988 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](OC)C1CC1 1722350113 MOWXXZAONMZDOA-MRXNPFEDSA-N 402.524 1.733 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCOC[C@@H]1OC 1722353501 PHIIYWMVELKKTB-PBHICJAKSA-N 408.462 1.715 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc(CCC)nc1C 1722373119 JEMDEWJORZXHQK-OAHLLOKOSA-N 418.523 1.258 30 10 HDEE C#CCN(CC#CC)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1722397792 UOWXXUTUKOTTFQ-FMQUCBEESA-N 408.506 1.856 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1722430419 FIXIQXCQKAMJEO-PMERELPUSA-N 424.530 1.563 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCCC2)CC1 1722559666 DNNILDBYCGTQFL-SJORKVTESA-N 410.588 1.919 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CCS(=O)(=O)C2)CC1 1722581394 UWETUWYFWDXHPP-BZSNNMDCSA-N 424.567 1.839 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC(C)C)C1 1722616934 DIHBMWAEPDAXAS-IRXDYDNUSA-N 412.556 1.777 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@]2(O)CCOC2)C1 1722714638 JBFAMQDOZGYXKE-GHTZIAJQSA-N 400.479 1.886 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)nn(C)c1CC 1740533916 VRBPCDOCYJQLIZ-KGLIPLIRSA-N 421.571 1.253 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N(C)C1CCC2(CC1)OCCO2 1740594322 IVBYEGUIHIFEFH-UHFFFAOYSA-N 401.511 1.936 30 10 HDEE C#CCN(c1nnc(C)n1CCN(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1740617619 ULWZNINSSAEJMK-LJQANCHMSA-N 401.536 1.345 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740717358 QGUSJSGCGLWORI-BRWVUGGUSA-N 424.592 1.694 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)[C@H]1CC 1740720641 GXBNZBAFLXMBRY-QGZVFWFLSA-N 423.546 1.598 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CC=CCC1 1740732101 RMGFAPFVBPUZFH-YLJYHZDGSA-N 403.552 1.434 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740811287 PTRXRPJZDVHQOG-KGLIPLIRSA-N 408.890 1.301 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1740888815 WQQLRXXDZRCVGA-KSZLIROESA-N 424.567 1.778 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(CC)nn(C)c1OC 1740899833 PISSTOGQNHALLW-ZDUSSCGKSA-N 408.528 1.155 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(C)n2)n1Cc1cn(C2COC2)nn1 1740940746 RASQUMOEYIYFDH-UHFFFAOYSA-N 410.482 1.498 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2c(F)ccc(F)c2C1 1740957686 XIYJWZBBBSNIKU-UHFFFAOYSA-N 413.432 1.822 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOCC2(CC2)C1 1740962341 AVUZIPORKHZLTK-UHFFFAOYSA-N 411.506 1.819 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@@H](C)[C@@H]1C 1740966026 OEGFOFVELYMBKB-JKQORVJESA-N 409.556 1.635 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1742390776 YXSWAKGDHVVCMO-GOSISDBHSA-N 406.487 1.635 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCc1ccco1 1744647116 YFLGMFUFMYOOGF-UHFFFAOYSA-N 407.434 1.285 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748824401 PICCZEOYUDDBBI-FUHWJXTLSA-N 418.494 1.944 30 10 HDEE COc1cccc(-c2nnc(N(C)[C@@H](C)CC#N)n2Cc2cn(C3COC3)nn2)c1 1748898054 DXCDTSSFTZZZNN-AWEZNQCLSA-N 408.466 1.903 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)OC 1749327449 LFYZWJJXPMZVOU-IPMKNSEASA-N 424.505 1.535 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C(C)=O)CC1 1749422024 VXZDSYMCEGICLH-UHFFFAOYSA-N 407.482 1.556 30 10 HDEE C=CCCCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CCNC(=O)C1 1749424614 LQGHEOWUGQCHMH-UHFFFAOYSA-N 407.478 1.577 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1749457602 SNZVCYVEYCBDNR-UHFFFAOYSA-N 402.499 1.659 30 10 HDEE C=CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1749746395 XYLFUSWWSWVHKG-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CC1)S(C)(=O)=O 1750087559 AVBARYLIBLXVKR-KGLIPLIRSA-N 403.508 1.599 30 10 HDEE Cc1nnc(CCCn2c(C(=O)NC(C)C)nnc2N2CC[C@](F)(C#N)C2)s1 1751865051 REUQNFPBLMQHSD-KRWDZBQOSA-N 406.491 1.651 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC(=O)N1CCCCCC1 1760119854 DTRLGQWAZQDQTL-QGZVFWFLSA-N 400.527 1.651 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1760183280 PXZOQNDXIQFXCF-DLBZAZTESA-N 416.551 1.487 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1(C)CCOCC1)[C@H]1CCS(=O)(=O)C1 1760189369 IHKCXFKUQPSVEX-KRWDZBQOSA-N 406.552 1.674 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCCn1cccn1 1760216518 QRMMFCNJXLMXLV-UHFFFAOYSA-N 405.462 1.756 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@]2(O)CCOC2)n1 1760252827 RJLLGUFYKDUYLD-FQEVSTJZSA-N 402.499 1.036 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CC=CCC2)CC1 1760258989 WBIKVEUJUPNKNV-UHFFFAOYSA-N 406.534 1.971 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2CCC(F)(F)CC2)CC1 1760261719 VRENCECXDZKUMX-UHFFFAOYSA-N 420.508 1.981 30 10 HDEE C=CC[C@@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1760416516 GGSBLHIHVIQVLK-OALUTQOASA-N 422.533 1.908 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(F)cn2)C1 1760550491 ZTGKCZVBGWANRJ-KRWDZBQOSA-N 400.458 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccsc1 1760553389 BMGPNMVGHQRUMX-CQSZACIVSA-N 409.537 1.528 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)C2CC2)CCOC1 1761273375 BAFZFJJJWBLPRY-YWZLYKJASA-N 404.515 1.583 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3ccccn3)n2CCOCCS(C)(=O)=O)CC1 1761554712 XVMGPKLWNQUPHB-UHFFFAOYSA-N 418.523 1.531 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1C 1769287195 GYBUCHSSLSVCMR-UHFFFAOYSA-N 406.494 1.869 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCCOCC(F)F)CCN1C1CC1 1770747011 DXLRILBLONKTAQ-GDBMZVCRSA-N 410.469 1.630 30 10 HDEE COC[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1770783376 WDPSYOJYCVLZAS-DOTOQJQBSA-N 414.466 1.326 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2)C1 1772566439 GBSRTXXZOGTXMU-SJORKVTESA-N 410.478 1.109 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CC2)c1 1848949317 IDRDCDOCQQRTEL-QGZVFWFLSA-N 418.453 1.989 30 10 HDEE N#Cc1ccc(N2C[C@@H](OCC(=O)N3CCN(c4ccccc4F)CC3)CO2)nc1 1851214690 HUHUHSIBLUPKSM-QGZVFWFLSA-N 411.437 1.578 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1852096318 YHXICACYCQJUOY-UHFFFAOYSA-N 414.483 1.854 30 10 HDEE Cc1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccc3C#N)CC2)c1 1852274455 YMYJCJNZFPNPAM-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCn2nnc3ccccc32)CC1 1852535189 SEYBWEUYFQQCRJ-UHFFFAOYSA-N 405.462 1.453 30 10 HDEE COc1ccc2c(C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)cc(OC)nc2n1 1852855207 QGVRTIJQXPKZBR-ZDUSSCGKSA-N 407.386 1.891 30 10 HDEE C=CCC[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)CC1=O 1853886688 FFDKICLCKHMTRI-ZDUSSCGKSA-N 421.475 1.093 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(C)C[C@@H]3C3CCOCC3)C2=O)cc1C#N 1854217605 FXCSSGSUQYZJQP-NHCUHLMSSA-N 410.518 1.650 30 10 HDEE Cc1cc(CN2CC[C@@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)C(=O)C3)C2)on1 1854244076 LBCNUVTUXSPAHT-LJQANCHMSA-N 407.474 1.722 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2CCc3ccccc3O2)C(=O)C12CCCC2 1854421814 WDKPMGYMUDCHCS-QGZVFWFLSA-N 417.487 1.217 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3C2)C(=O)C12CCCC2 1854431728 GHTBGSRKRFVKHH-INIZCTEOSA-N 417.487 1.075 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C(=O)C2)C1 1855019789 WXFPDCLVJILUDK-QGZVFWFLSA-N 408.424 1.907 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CC(=O)c3ccc(Cl)cc3)[C@H](C)C2=O)CC1=O 1855546376 GRYBKDOAAPKJCK-ZBFHGGJFSA-N 417.893 1.617 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855724015 SDIUUFAFXUZNQP-LBPRGKRZSA-N 419.409 1.898 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H]3COc4c(cccc4OC)C3)C(=O)C2)C1 1856857614 LCTQCZVKRPVJLX-MOPGFXCFSA-N 413.518 1.568 30 10 HDEE Cc1ccc(CC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857042058 RBRVZRFVBZNBCA-GOSISDBHSA-N 403.504 1.478 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3nccc(Cl)c3F)C2=O)C1 1857110420 WTTWOOPFUQWBQP-AWEZNQCLSA-N 415.812 1.645 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@@H]1CCN(C)C1=O 1857261248 CMUHHQCOGVYQMI-DOTOQJQBSA-N 400.479 1.188 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2csc3c2CCOC3)C1)[C@@H]1CCN(C)C1=O 1857274821 SVFFBRMBYDHDRQ-WMLDXEAASA-N 417.531 1.528 30 10 HDEE Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334878 KZCRMOZWVFDPCG-MRXNPFEDSA-N 405.501 1.608 30 10 HDEE N#C[C@H](c1cccs1)N1CCC(C(=O)NCC(=O)N2CCCC[C@H]2CCO)CC1 1868782124 DHVUVKMMJPEQTJ-ZWKOTPCHSA-N 418.563 1.904 30 10 HDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CC)CCc1ccncc1 1869930073 SMXQOJPFTRNLGZ-QGZVFWFLSA-N 400.504 1.990 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)N(CC)CC)cn1CCOCCO 1870633266 NDQQSNUNMUARGW-UHFFFAOYSA-N 421.538 1.278 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)N1CCN(c3ncccn3)CC1)n2C 1873543328 LNOLUABPHRRUJR-UHFFFAOYSA-N 418.505 1.899 30 10 HDEE C=CCn1c(C(=O)N2CCCCCC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873561883 DCHVJFKHVSWHKR-UHFFFAOYSA-N 412.538 1.748 30 10 HDEE C=CC1(NS(=O)(=O)c2c(Br)cc(N)cc2Br)CNC1 1884979914 KJOMTNMPPCFVMK-UHFFFAOYSA-N 411.119 1.600 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1895720177 HYYMTPZPDMQIKQ-NWDGAFQWSA-N 413.334 1.432 30 10 HDEE O=C(OCc1ccccc1)N1Cc2nn([C@H]3CCS(=O)(=O)C3)c(C=NO)c2C1 2069899881 MCCGFZKHKAEVLA-AWEZNQCLSA-N 404.448 1.703 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)CC1(C#N)CCOCC1 2118163367 PZCZCQNPZDPJQX-GOSISDBHSA-N 421.519 1.979 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 2174780778 YBVWDYVQSIMMBH-FZKCQIBNSA-N 401.529 1.726 30 10 HDEE C#CCN(C(=O)[C@@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180119140 FPBRLYHNOBWOSV-LSDHHAIUSA-N 418.581 1.670 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NC[C@@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471650 DJPPQSFFBBVKOJ-OLZOCXBDSA-N 410.487 1.252 30 10 HDEE CN1CCC(C#N)(N(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C2CCCC2)CC1 2195905447 MBNBVEOTRIBGMO-SFHVURJKSA-N 410.518 1.876 30 10 HDEE N#Cc1ccc(N2CCN([C@@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3O)CC2)nc1 2195973084 XQRSARIKPQDUPT-UXHICEINSA-N 407.474 1.457 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241480839 ONIHZZUTLIFFLQ-CHWSQXEVSA-N 402.322 1.759 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@](C)(CO)NC(=O)OC(C)(C)C 2241812164 YCHPXPYWGWHUGB-ORAYPTAESA-N 401.504 1.848 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778497 CSTYUXKJMJRTPT-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)c(F)c1C#CCO 2268043812 KGKDWFPSSZZBCL-UHFFFAOYSA-N 420.393 1.347 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1 2270518307 FHMQYAUVIKVJNM-GOSISDBHSA-N 416.455 1.878 30 10 HDEE C=CCCC1([C@H](N)CS(=O)(=O)N2CCOCC2)CN(C(=O)OC(C)(C)C)C1 2281053792 QYIBBDSIFPPLAC-OAHLLOKOSA-N 403.545 1.179 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3ncncc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282178475 NUXICKHLMSYQLL-CQSZACIVSA-N 403.288 1.391 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C[C@@H]1F 2282322108 GLAQSUJLLPRRKM-RYUDHWBXSA-N 405.322 1.713 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](N)[C@H](C(F)F)C3)c2)OC1(C)C 2282331397 MVDPKCIZSYPGMS-MNOVXSKESA-N 408.301 1.260 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3C[P@](C)(=O)C[C@@H]3O)c2)OC1(C)C 2282333988 VYFGBHRJHZUODL-BWJFDKCMSA-N 421.286 1.062 30 10 HDEE CCC(=O)NCCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344376 BJMICSWKOOGXCD-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H](N)C3)c(Cl)c2)OC1(C)C 2282494442 ZGRBPJSFQLEYNK-CHWSQXEVSA-N 400.737 1.797 30 10 HDEE CN([C@H]1CCC[C@H](N)C1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498773 JGKFNPSHZUWKDB-STQMWFEESA-N 400.375 1.938 30 10 HDEE CN([C@H]1C[C@H](O)C1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282501966 DWEPVOVHGGAYIB-HAQNSBGRSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC2(C(F)(F)F)CC2)OC1(C)C 2282505053 XZFLTHNGIGPLSN-UHFFFAOYSA-N 412.264 1.957 30 10 HDEE CCN[C@H](C)CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282505743 IKCONGREFQMGSP-LLVKDONJSA-N 402.391 1.940 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@H](CCO)C(F)(F)F)OC1(C)C 2282849100 WMNQCLWFUOKRAC-SNVBAGLBSA-N 415.264 1.639 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC1(C)C 2282851352 ALWBNNFUCSRJHT-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282851532 DEUQJTVMNGPDTB-LBPRGKRZSA-N 401.315 1.373 30 10 HDEE C=C(CS(=O)(=O)N1CCN([C@H]2CCSC2)CC1)B1OC(C)(C)C(C)(C)O1 2282866605 MJWKZGWNGNJPPD-HNNXBMFYSA-N 402.391 1.627 30 10 HDEE CC1(C)OB(c2csc(CO[C@@H]3CCCN(S(C)(=O)=O)C3)c2)OC1(C)C 2285644433 IWUQIBLKFQQXLL-CQSZACIVSA-N 401.359 1.988 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccc(O)c1 2329035354 YFEHOCVDGMTAEI-AWEZNQCLSA-N 417.491 1.855 30 10 HDEE Cn1nc(Br)c(Br)c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c1nn(C)cc1I 2367789344 CVAYJJXKNRVPOV-LLVKDONJSA-N 407.277 1.256 30 10 HDEE C[C@H]1C[C@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2367798398 QKCQGCKJMRHXOX-GUYCJALGSA-N 401.481 1.436 30 10 HDEE COCC1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CC(NC(=O)OC(C)(C)C)C1 2367802222 ZKIXARDCAWSRNL-SWKXRBFHSA-N 400.541 1.604 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(O)CC(CNC(=O)OC(C)(C)C)C1 2367815353 DSQMJLBEUZCBRI-HVEKOLDVSA-N 400.541 1.211 30 10 HDEE C=CCNC(=O)O[C@@H]1CO[C@@H]2[C@@H](Nc3nccc(-c4cccc(C#N)c4)n3)CO[C@H]12 5434074 BMCLHEQUDQUJRN-WJFTUGDTSA-N 407.430 1.874 30 10 HDEE biogenic C=CCn1c(CNc2ccccc2)nnc1Sc1nc2c([nH]1)c(=O)n(C)c(=O)n2C 9695157 YVMBQLMCPPZMSR-UHFFFAOYSA-N 424.490 1.501 30 10 HDEE N#CCCN(CCC#N)C(=O)C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 20354327 MEZHOMZIGOSWSO-LJQANCHMSA-N 421.501 1.934 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)c2C)nn1 23571681 FOBLVOMNWOKERS-VLIAUNLRSA-N 414.466 1.969 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)c1 53298391 PALLYLPGUUYVRT-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccc(OCC)cc3)c(=O)c21 65132924 RMHVMARTAUMTOW-UHFFFAOYSA-N 400.460 1.905 30 10 HDEE N/C(CN1CCC(NC(=O)c2ccc(I)cc2)CC1)=N\O 110825124 JQFKOCYTGHPQHR-UHFFFAOYSA-N 402.236 1.232 30 10 HDEE C[C@](C#N)(NC(=O)CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 384239879 ZJNMZQFRUMDULF-HNAYVOBHSA-N 405.476 1.908 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C#N)cn2C(C)(C)C)CC1 435064921 HWMDMFNPPXXCLG-UHFFFAOYSA-N 403.483 1.149 30 10 HDEE Cn1c(=O)n(C)c2cc(NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)c(O)cc21 461633435 SQQYHJBSZCRROP-UHFFFAOYSA-N 414.443 1.008 30 10 HDEE CNS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)c1ccc(Cl)c(C#N)c1 464417933 FBFCZOPJTHYIGQ-UHFFFAOYSA-N 415.880 1.929 30 10 HDEE CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)NCCOc2ccc(C#N)cc2)cc1 465753729 LYFPROVWTABRFE-CQSZACIVSA-N 402.476 1.906 30 10 HDEE Cc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)cc1S(C)(=O)=O 471955529 RNZGBMLZVDMZFC-UHFFFAOYSA-N 416.507 1.666 30 10 HDEE CCCCn1c(=C(C#N)C(=O)N2CCN(CC)CC2)sc(=Cc2ccccc2)c1=O 480124577 GMLIAMTYBYKAPG-UHFFFAOYSA-N 424.570 1.377 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 482833835 GXABWSIKLHDSHL-HIFRSBDPSA-N 407.492 1.415 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3noc(C4CC4)n3)CC2)cc1 495731257 YLSPHJBTKJZVBO-UHFFFAOYSA-N 415.475 1.536 30 10 HDEE N#Cc1ccccc1N1CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 501870920 LDOHKDQORLVACR-UHFFFAOYSA-N 410.499 1.535 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(CC(=O)OC)CC1 508853948 ACVANARWHUZPRJ-UHFFFAOYSA-N 409.288 1.517 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 508918953 OMDFQLGMBPJESD-UHFFFAOYSA-N 421.505 1.772 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N=c2nc(-c3ccsc3)[nH]s2)c1 514975612 UOTNZSLZMRFRBF-UHFFFAOYSA-N 405.486 1.477 30 10 HDEE Cn1nc(O)c2c(C(=O)N3CCN(c4ncccc4C#N)CC3)cc(C3CC3)nc21 515098350 RRVXIDOZXCXVDT-UHFFFAOYSA-N 403.446 1.780 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)C)cc2C1=O 520223609 ITCVJDXVKAYQJU-IBGZPJMESA-N 405.454 1.898 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN2CCCCC2)CC1 524495565 PXBJFZHCFGRSTA-UHFFFAOYSA-N 413.566 1.802 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N3CCC(C)CC3)cc21 526842120 NGADRJOVXKQCQJ-LJAQVGFWSA-N 418.515 1.788 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@](=O)CCC(=O)NC(C)C)cc21 526909596 IMQVQPQREFYUSS-GMYLUUGSSA-N 406.504 1.833 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 532129029 XZIXAYAFGLKFFC-UHFFFAOYSA-N 413.522 1.336 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)[C@H]3CCN(c4ccccc4)C3=O)CC2)o1 532716227 RWYXCFNDGSPZBR-IBGZPJMESA-N 422.489 1.241 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)ccc1F 533694143 RTWUKWGBJHOYNP-UHFFFAOYSA-N 420.441 1.781 30 10 HDEE CCC(CC)[C@@H](CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCOCC1 546882112 OOZMOPLREVWBJW-HXUWFJFHSA-N 414.554 1.922 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)c(F)c1 553041274 KGDBKRRXDOCKAU-OAHLLOKOSA-N 402.451 1.487 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NC1CCN(c2ccc(C#N)cn2)CC1 588122166 MLIMNLVJSAVZAE-QGZVFWFLSA-N 420.539 1.035 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CC1 605414359 QZFDWOZHGYUHLI-UHFFFAOYSA-N 411.462 1.984 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C2=O)CC1 614562009 JDZXAXHQYXVAGN-INIZCTEOSA-N 424.423 1.257 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(C#N)c(Cl)c1 619826546 BCIAALYJMBVJEA-WCVJEAGWSA-N 405.838 1.846 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)OCC(=O)NCCN2CCc3ccccc32)cc1 727009855 BJWLBIGHKOKMEK-UHFFFAOYSA-N 406.442 1.010 30 10 HDEE COc1cc(OC)cc([C@@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2nccn2C)c1 732699398 AWTQQFJOKJDHTN-FXAWDEMLSA-N 424.505 1.908 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)NCCCN2CCCS2(=O)=O)ccc1OC 733649006 XMUFWFTYVMRLHD-MRXNPFEDSA-N 424.523 1.601 30 10 HDEE C=C(COC(=O)[C@H]1CCCCN1C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 734025206 GGSMETKKTXWDTK-OAHLLOKOSA-N 406.460 1.653 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](Cc1ccccc1)n1nnnc1C 735772518 PYILPAWOHBLVBR-QGZVFWFLSA-N 410.459 1.451 30 10 HDEE CCOc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1OCC 737304953 DNFJUPMFZAMWIZ-ISLYRVAYSA-N 416.434 1.065 30 10 HDEE CC(C)(C)OC(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 743908320 BTZITGRQWTWEHD-SFHVURJKSA-N 412.490 1.708 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 759660691 CEHSYDXUNAKYTC-SFHVURJKSA-N 419.551 1.503 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3nn(-c4ccc(F)cc4)ccc3=O)CC2)n1 760778208 REEKNPIBDOHEQK-UHFFFAOYSA-N 404.405 1.601 30 10 HDEE C#CCN(C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1)[C@H]1CCS(=O)(=O)C1 760960251 WFCYLSICZXKAKQ-KRWDZBQOSA-N 417.487 1.380 30 10 HDEE C#CCN(C(=O)Nc1ccccc1OCCn1ccnc1)[C@@H]1CCS(=O)(=O)C1 774035724 KCCPYQSMQTYKPA-MRXNPFEDSA-N 402.476 1.616 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccccc1OC)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152237 GWDVGDFEMWUMKX-MAUKXSAKSA-N 416.503 1.350 30 10 HDEE CCn1cc(-c2nn(C)cc2C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cn1 778724083 MRMXCOYPWNENAQ-UHFFFAOYSA-N 404.496 1.837 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 780893690 CPPOXTQYCVLXPN-INIZCTEOSA-N 406.508 1.518 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cn(C)nc1OC 789861962 IPFSITRLKYKCAD-ZDUSSCGKSA-N 405.480 1.665 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@H](CN(C)S(C)(=O)=O)C1 795656056 TXFSQHNKKNYAGZ-QGZVFWFLSA-N 402.524 1.686 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 800788324 ZOBIKEVDGXHTGY-QXAKKESOSA-N 402.543 1.347 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O 800901560 VAYRTNWXMXZJCN-GFCCVEGCSA-N 401.893 1.280 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C#N)ccn2)cc1 803848541 SPVWFGSHNSKGSC-ZDUSSCGKSA-N 416.459 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)n1 808358012 VMWYLSVALURZLD-YSIASYRMSA-N 401.511 1.321 30 10 HDEE C#C[C@H](NC(=O)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1)c1ccc(Cl)cc1 810470539 HFCZKZBFLUDNGU-HNNXBMFYSA-N 415.833 1.642 30 10 HDEE C#CCN(c1nnc(CN2CCCc3ccccc32)n1CC)[C@H]1CCS(=O)(=O)C1 812039818 INMXIUMMCXDDSE-SFHVURJKSA-N 413.547 1.878 30 10 HDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)N1C(=O)c2ccccc2C1=O 813516302 HRWBDFJIJKDBMZ-DVOMOZLQSA-N 412.446 1.546 30 10 HDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1 916950591 RGSTWGNBJRALRH-ZRKSEFCZSA-N 412.446 1.843 30 10 HDEE COc1ccc(C(=O)N(C)c2cc(C#N)ccn2)cc1S(=O)(=O)N1CCOCC1 1128083666 RNBSNRYYYVKUTM-UHFFFAOYSA-N 416.459 1.259 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cccn(CC(=O)OC(C)(C)C)c2=O)CC1 1128861877 UYAWMTQVFNSBOL-UHFFFAOYSA-N 403.435 1.109 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)ccc1F 1129764964 PJRIJBUJDHQSAL-HOCLYGCPSA-N 422.482 1.674 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)CC1 1135889506 LNIHAUMARUDNID-HSZRJFAPSA-N 405.502 1.629 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@H](C#N)C1 1143955781 LRCPOORJILBBJU-MSOLQXFVSA-N 402.495 1.763 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@@H](N(C)C(=O)N(C)C)C3)ccc2c1=O 1161689464 JGUFPGQFJZIMMJ-CQSZACIVSA-N 415.519 1.699 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)cc1 1163462068 NPULPKUMDNMWRZ-QZTJIDSGSA-N 421.519 1.319 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)c1 1171402500 JEMNNJJQKNCVGD-CQSZACIVSA-N 400.382 1.609 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1F 1175022231 SFERMHZUDXOYKQ-INIZCTEOSA-N 400.431 1.957 30 10 HDEE CN1CCn2c(CNC(=O)c3ccc(COc4ccc(C#N)cc4)o3)nnc2C1=O 1176806897 YSXGIBOFORQNAD-UHFFFAOYSA-N 406.402 1.337 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1188570332 OJAFQXVVIVCKEM-CEXWTWQISA-N 424.519 1.629 30 10 HDEE C#CCN(Cc1ccc(C(=O)OC)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1204722219 RPMGOESACPPWEB-ZDUSSCGKSA-N 400.294 1.858 30 10 HDEE C=CCC1(O)CCN(C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1 1222053604 SVXKRKQHKZNYJN-UHFFFAOYSA-N 415.556 1.072 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)NCc2ccc(C#N)c(F)c2)CCO1 1230109824 PPAUSANQPHCTNC-FQEVSTJZSA-N 407.442 1.966 30 10 HDEE C=CCC(F)(F)C(=O)N(CCOC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1264303463 RAPNYIZEQCPDPK-UHFFFAOYSA-N 408.405 1.770 30 10 HDEE COc1cccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)nn2)c1 1265833322 AURUQAZBVRQKQD-HNNXBMFYSA-N 412.450 1.861 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(C)(=O)=O 1286303636 RFKFUXACRPIBBO-OAHLLOKOSA-N 400.508 1.288 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(COC)CCOCC1 1286306391 SZQZJFACMKGBGM-SQNIBIBYSA-N 406.527 1.903 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)N(C)C 1286370178 HHHLAZFIFASJND-UHFFFAOYSA-N 413.507 1.092 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCOC1 1286432145 YYBCWEQDECUXMB-DENIHFKCSA-N 408.458 1.405 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccccc2)CC1 1286495355 ZIJVSXSUSHWFMO-LJQANCHMSA-N 423.517 1.827 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC(=O)N(C)C[C@H]1C 1286817979 ZZYPPJKPAPJMLS-OAHLLOKOSA-N 403.508 1.213 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(C)(=O)=O 1286963389 QCPMYPYWAVKUCJ-LBPRGKRZSA-N 411.919 1.529 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CCO1 1287276700 AKFJIJJVRQXCBH-UGKGYDQZSA-N 410.522 1.745 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1CCn2ccnc2C1 1288100074 PDIURHJVQGSCLC-IFXJQAMLSA-N 400.462 1.317 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1288234121 SCOLNAXCFYEMMF-GOSISDBHSA-N 401.402 1.820 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3CCCCCO)CC2)c1C#N 1290576277 CKEHTOZCFYPERW-UHFFFAOYSA-N 412.542 1.633 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(=O)N(CC)[C@H]2c2cccc(C)c2)CC1 1292889749 LUOMXAFZOWHTQG-OFNKIYASSA-N 424.545 1.188 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCCN(c2cc(CC)ncn2)C1)C(=O)OC(C)(C)C 1293104103 ZMMZCUSSVMXMRL-KRWDZBQOSA-N 401.511 1.994 30 10 HDEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1298639305 CTORLIZKWQATIA-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ncc(CC)s1 1300307329 FAAHTLIKZFVIAB-KBPBESRZSA-N 407.565 1.900 30 10 HDEE C#CCCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1300376268 IQUFHDLJACJUSM-UWJYYQICSA-N 401.511 1.545 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1c1cnn(C)c1 1300471889 SZRMLZDIGCYROK-GOSISDBHSA-N 407.526 1.612 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2oc(CC)nc2C)CC1 1300703737 RHBJFQUCJYPJHH-UHFFFAOYSA-N 405.506 1.926 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCC(=O)N(C)C)CCO1 1301358790 DNOMCZUELRIUKL-SFHVURJKSA-N 412.494 1.537 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OCC)CCOC1 1301622334 FLEARIKRFPMUEK-BEFAXECRSA-N 409.556 1.564 30 10 HDEE COCCN1C[C@@H](Cn2c([C@H]3CCCO3)nnc2N2CCC(C#N)CC2)CC1=O 1301870857 HZRUSWVGSUNCIA-DLBZAZTESA-N 402.499 1.364 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1301952054 GCSBRQGKYCZBOP-KFWWJZLASA-N 423.543 1.380 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)C3(C#N)CCOCC3)c3nccn32)C1 1304038360 VQWQUJNKNCMMQA-AWEZNQCLSA-N 401.467 1.710 30 10 HDEE N#Cc1cn(C2CN(c3cc(C(F)(F)F)nc(-c4ccncc4)n3)C2)c(=O)nc1O 1307167016 PRUFMBYJDRRBLB-UHFFFAOYSA-N 415.335 1.753 30 10 HDEE C=CCN(Cc1nnc2n(CC)c(=O)c3ccccc3n12)[C@@H]1CCS(=O)(=O)C1 1307537710 IOVVTTVIDLQBAC-CQSZACIVSA-N 401.492 1.239 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C)O[C@H](CC(F)(F)F)C3)CC2)o1 1307949760 ZPLAJQZYSXPUMN-TZMCWYRMSA-N 415.416 1.545 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)n2C)CC1 1354830173 CRQDREUCFSABNO-UHFFFAOYSA-N 417.447 1.260 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1358932959 CUKBQQYYTDAWDR-PXNSSMCTSA-N 411.554 1.710 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCn1c(O)nc2ccccc21 1358940260 STRQLWONZPWWCX-NRFANRHFSA-N 410.478 1.755 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1358949229 WKRCTXJITBUVSD-MOPGFXCFSA-N 415.563 1.861 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1358960951 PCILGFOLQJLDHQ-HOTGVXAUSA-N 402.524 1.351 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(CC)cc2)n1CCC(=O)N1CCOCC1 1358973171 IGSHEBFGTNLYMB-UHFFFAOYSA-N 405.502 1.829 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1358975187 GNCQZZXFNBKSKU-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)CN1CCOCC1 1359024307 KIQNIHVOPHSIIQ-RBUKOAKNSA-N 405.543 1.574 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1359137111 FPUWRMFTIJZEPF-UWJYYQICSA-N 419.526 1.334 30 10 HDEE C=CCN(c1nnc(CCc2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359252886 JUOFZMBSRQIDNR-OAQYLSRUSA-N 416.547 1.768 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(C)C)CC1 1359333062 NENZGWSWAVDJPB-KRWDZBQOSA-N 411.572 1.303 30 10 HDEE CC(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1359457234 AUAYWDXVWKTKSV-UHFFFAOYSA-N 413.482 1.662 30 10 HDEE Cc1ccc(CNC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C#N 1439167501 GYDGKSXWSMGSEM-UHFFFAOYSA-N 419.528 1.808 30 10 HDEE COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)c1cccc(C#CCO)c1 1440822708 VAXQRLCYLHDVCF-UHFFFAOYSA-N 400.456 1.732 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1443587702 VINAPHARMAKUMP-HWYHOQROSA-N 405.470 1.093 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC(Nc2ccccc2C#N)CC1 1454243245 RFTSHEFJKHHRHG-UHFFFAOYSA-N 415.494 1.602 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 1455219801 NKUCOGIBDMJQJV-MGNBVQINSA-N 411.380 1.554 30 10 HDEE N#C[C@]12CN(C(=O)Cc3csc(COc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1463165172 GBXZQOIEQUANKG-IFXJQAMLSA-N 417.512 1.661 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCC(C)(C)S(C)(=O)=O)ccc2c1=O 1469074657 XZURGWVZHMXILZ-UHFFFAOYSA-N 409.533 1.814 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(c2cnc3ccccc3n2)C1 1471662847 FCZUNPOVSABSRD-AWEZNQCLSA-N 421.482 1.794 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC(O)(CN4CCCCC4)CC3)CC2=O)cc1 1472324856 AEOIBMZITDEPSS-LJQANCHMSA-N 410.518 1.751 30 10 HDEE C#CC[C@H](NS(=O)(=O)C[C@@H]1CCCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1475378308 LOQMKYRQQOHVLV-MSOLQXFVSA-N 422.503 1.520 30 10 HDEE CCc1nnc(N2CCCC[C@@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499085560 NNBJEWYOYORVGG-RAJOGRCSSA-N 402.499 1.620 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1ncnn1C(C)(C)C 1499152148 FHUROBNEGYJXDD-UHFFFAOYSA-N 420.525 1.829 30 10 HDEE COc1ccccc1Cc1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(C#N)o1 1504410557 QCXNNXOQCSUZSJ-UHFFFAOYSA-N 406.446 1.669 30 10 HDEE C=CCNC(=O)CN1CCC[C@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1505475596 NLFCCMJQJKSOSF-NHHWGVFUSA-N 401.551 1.663 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](CC)OC)c1 1507550404 KNMLHCJJRNPXHK-QZTJIDSGSA-N 424.505 1.710 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(C)CN(C)C1=O 1507636751 JVGKJBSPVILILP-QHCPKHFHSA-N 418.501 1.698 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1507681585 ZWHOKQVQPNQZDK-OAHLLOKOSA-N 418.519 1.857 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)OC)C1 1507790950 GBWOJUKVJKXEFF-JYJNAYRXSA-N 405.499 1.397 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1508041734 SGBFUJCOHZYFEP-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(OC)CCOC1 1508041836 VGKOVINELFHWLH-FQEVSTJZSA-N 419.482 1.450 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCn2ccnc2C)C1 1508127298 URITWLQBEAYMOE-DLBZAZTESA-N 420.539 1.167 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1508146107 UFGVARMTBLKFPH-INIZCTEOSA-N 406.556 1.805 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(OC)cc2)nnc1N(C)C[C@H](C)C#N 1515312226 BAJSKJVUCUZVNP-OAHLLOKOSA-N 400.483 1.940 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1517196601 CEVHNPIJHZCVIK-UHFFFAOYSA-N 420.514 1.892 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)Cn3cc(Br)ccc3=O)n2)cc1 1523936533 FUMNPHQQQHSMHP-UHFFFAOYSA-N 413.235 1.761 30 10 HDEE C#Cc1ccc(C(=O)N2C[C@H]3C[C@H](NC(=O)OC(C)(C)C)C[C@@]3(C(=O)OC)C2)nc1 1537994251 ABRCASLAVQSZHC-ZMPRRUGASA-N 413.474 1.981 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(CN2CCNC2=O)CC1 1538844005 HHZYKWXBULEFLN-UHFFFAOYSA-N 421.295 1.963 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1538871502 UHVZQKGFDJDODB-UHFFFAOYSA-N 412.533 1.709 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ncnn1CC(F)F 1539046280 PKIHYBRVQISZQM-UHFFFAOYSA-N 420.468 1.811 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1539142363 OWKSWJASPIFHGH-DLBZAZTESA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2OC)C1 1539175472 YORHCTXOCFQLNU-IAGOWNOFSA-N 408.506 1.834 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCOC1CCOCC1 1539194292 WQOVOJQCPVBVJW-UHFFFAOYSA-N 417.535 1.925 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCOC[C@H]1OC 1539232807 PSBMARXYKMOHMJ-IAGOWNOFSA-N 408.462 1.050 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)NCC=C)CC1 1539441545 SQWGRLLWCQIRBH-UHFFFAOYSA-N 424.505 1.020 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(C)CC(=O)N1CCOCC1 1539640832 JZJGMTQBUIFPEZ-VQIMIIECSA-N 407.515 1.091 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1540332981 SKRYKOYWESCNFQ-UHFFFAOYSA-N 407.492 1.923 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1540874115 VRPUHNZPDAWUMU-JOCHJYFZSA-N 416.570 1.614 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N(CCC#N)Cc1cccnc1 1542370732 AYHJFTHGXOIDMW-INIZCTEOSA-N 424.523 1.652 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)c2ccccn2)CC1 1544050873 QKAGBXKRNGSDBK-KRWDZBQOSA-N 415.494 1.953 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1544784808 JGCPLBXDWUSGLC-SJORKVTESA-N 424.519 1.564 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2ncccn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367772 MVZPBNYIJYUWMF-HNNXBMFYSA-N 418.379 1.444 30 10 HDEE CCSCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552594153 QSPUPVMASVCOOX-KRWDZBQOSA-N 417.583 1.834 30 10 HDEE CNC(=O)c1cccc(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)c1 1554415988 PGQBIEBFCVCVNV-UHFFFAOYSA-N 416.489 1.588 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)C1 1554422038 IAAOMZVPQFUCCL-INIZCTEOSA-N 422.518 1.987 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CCO1 1555386760 OGGZNSVGAQKRMJ-OALUTQOASA-N 413.478 1.474 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC 1555670550 UOQJNYQAVFZPSY-RDJZCZTQSA-N 401.467 1.788 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CC1(O)CCS(=O)(=O)CC1 1555995414 HCOSEPWHPOTZGI-MRXNPFEDSA-N 423.539 1.199 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](C)SCc1nc(O)c2ccccc2n1)C(=O)OC 1556376022 ZLEZGOCBCLONNY-DOMZBBRYSA-N 405.476 1.818 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1C(=O)N(C)Cc2ccccc21 1557541310 DYCUDNHRTOLDQS-ACJLOTCBSA-N 412.471 1.055 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)CC1 1558638033 LDGJKYPFRQEKNQ-HNNXBMFYSA-N 403.545 1.730 30 10 HDEE N#Cc1cccc(OCCCN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1559975236 ISKXRQSOXDXRSJ-UHFFFAOYSA-N 414.531 1.979 30 10 HDEE C[C@@]1([C@@H]2CCCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)C2)COC(=O)N1 1560152801 HGKJFECIFSAZFS-IERDGZPVSA-N 408.462 1.893 30 10 HDEE CSc1ccc(Br)cc1CCNS(=O)(=O)N1CCO[C@H](C#N)C1 1561975278 HOISAXAEQYUPEW-CYBMUJFWSA-N 420.354 1.772 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cccc(CS(N)(=O)=O)c1 1564735862 BLCWKRRRIDVQSP-SFHVURJKSA-N 402.476 1.222 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@H](CC#N)c3ccccc3)CC2)CC1 1565595246 GKIWLFKNRIIGPR-OAQYLSRUSA-N 411.550 1.381 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CCO)C2CCOCC2)s1 1567349809 PKNYXYKPSGSZLR-HNNXBMFYSA-N 402.538 1.049 30 10 HDEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1568501337 GWCRWVOZUZXXRS-QZTJIDSGSA-N 410.861 1.989 30 10 HDEE O=C(Nc1ccc(S(=O)(=O)N2CCC[C@@H]2CO)cc1)c1cccc(C#CCO)c1 1568836296 CVACKNPOZBWQIV-LJQANCHMSA-N 414.483 1.428 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1587803797 NQUNERCNLVJEHB-OAHLLOKOSA-N 415.498 1.914 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC[C@H]1COCCO1 1588595352 RAUQCBGACLNLOV-IBGZPJMESA-N 400.479 1.845 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1595523001 LYJVLVYHNJMKNN-UHFFFAOYSA-N 422.493 1.261 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@@](F)(C#N)C1 1595766195 MUFQVNPNXPIHEJ-LJQANCHMSA-N 419.482 1.996 30 10 HDEE Cc1[nH]nc(C(=O)N(CCC#N)CCN2CCOCC2)c1I 1598066129 UMKQUGRWHCFTMK-UHFFFAOYSA-N 417.251 1.011 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1603400553 GJCFKHHOCMTHKJ-KBPBESRZSA-N 401.220 1.429 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCCN(C(C)C)C1 1608399449 CDIDQWVXZBGIPX-UZLBHIALSA-N 405.522 1.979 30 10 HDEE COC(=O)C1=CN2[C@H](C#N)[C@@H](c3ccccc3F)C(C(=O)OC)(C(=O)OC)[C@H]2C=C1 1614988043 UDFOEALRXYBWIX-BRWVUGGUSA-N 414.389 1.445 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1)C(C)C 1615894849 MYANTJCEWJIERY-NRSPTQNISA-N 400.523 1.795 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1nnn(-c2ccccc2)c1C(F)F 1616348422 ZWYBDOYQCKJVTC-GHRIWEEISA-N 402.361 1.461 30 10 HDEE C#CCOCCC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1616933406 REHADWZXAOPEOY-JSGCOSHPSA-N 406.401 1.406 30 10 HDEE CO[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1619504265 UXZLISSYPKQZCS-AVRDEDQJSA-N 424.505 1.822 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1619818277 XVTSERBSAXBYFL-SFHVURJKSA-N 409.494 1.799 30 10 HDEE Cc1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1B1OC(C)(C)C(C)(C)O1 1622414640 NKUUADOEMUSJCR-UHFFFAOYSA-N 400.244 1.829 30 10 HDEE CO[C@@H]1CN(C(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C[C@H]1O 1624178623 PHFKJPAMHRSJLF-KZNAEPCWSA-N 401.463 1.611 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C(=O)OC(C)(C)C)[C@@H](C)CC)c1cc[nH]n1 1624502336 MAIIAJQLDWCQRS-WFASDCNBSA-N 410.471 1.566 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1626550017 VQMYXIYBBQDKLM-SJORKVTESA-N 423.558 1.632 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N(CCC#N)CCN2CCOCC2)C(C)(C)C1 1627067717 CZNAEAOMENCDEB-QGZVFWFLSA-N 408.543 1.954 30 10 HDEE C#C[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1627747396 WESBKZQVYPTWKG-AEFFLSMTSA-N 406.504 1.588 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCc3cc(Br)ccc32)CC1 1628146772 PQPODIVTVMMDFD-SFHVURJKSA-N 418.335 1.763 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3cc(C#N)ccc3F)CC2)cc1 1633056854 BMTRTCPCWZYPLQ-UHFFFAOYSA-N 410.449 1.894 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC[C@]3(O)C(=O)Nc4ccccc43)cc2C1=O 1633501616 UYPMOFGPEBEDAW-JOCHJYFZSA-N 405.410 1.428 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)c1 1635685166 GJFZYEMARULEDJ-OAHLLOKOSA-N 423.437 1.932 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)C1 1637885463 IBNOWONTABVVQZ-QGZVFWFLSA-N 400.479 1.697 30 10 HDEE C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCS1(=O)=O 1638499167 FEAUJFMUGHJYJW-JSGCOSHPSA-N 409.895 1.600 30 10 HDEE Cc1cc2c(cc1NC(=O)C/N=C1/NS(=O)(=O)c3ccccc31)sc(=O)n2C 1641165784 SKSJOOWQHRTXKL-UHFFFAOYSA-N 416.484 1.586 30 10 HDEE C#C[C@@H](NC(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)C1CCOCC1 1641858596 TYPUNEHHNBNXCN-MRXNPFEDSA-N 405.499 1.741 30 10 HDEE C#CC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1643563209 VUWBXGLUOTUZDZ-MSOLQXFVSA-N 419.547 1.770 30 10 HDEE CC(C)n1ncc(C(=O)N2CCN(CCC#N)CC2)c1I 1643821915 HJDYKYZNQLYWBH-UHFFFAOYSA-N 401.252 1.740 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 1644078409 GECCDRISTAXQDN-QGZVFWFLSA-N 408.389 1.875 30 10 HDEE C[C@H](C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1645085358 OHAMNDSPOWRHLY-DDBAPUKQSA-N 409.490 1.920 30 10 HDEE C=CC1(CC(=O)Nc2ccn(CCN3CCNC3=O)n2)CN(C(=O)OC(C)(C)C)C1 1646187662 WMPXEZYHHUPDFZ-UHFFFAOYSA-N 418.498 1.660 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)C2)c(=O)nc1O 1648790864 XKWGEKKXLDWYCO-CQSZACIVSA-N 422.445 1.148 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCS(=O)(=O)[C@@H](C)C3)ccc2c1=O 1649082395 KDXJMCJPYIRTQV-WCQYABFASA-N 407.517 1.567 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)NC[C@H]3CCCN(CC#N)C3)=NO2)C1 1650833636 BFRXGNYSKZPWQN-IIBYNOLFSA-N 419.526 1.884 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C1 1654412452 RDFSRZGPRRSLOW-GOEBONIOSA-N 413.503 1.485 30 10 HDEE CCCCN(C(=O)CN1CC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(CC(C)C)c1N 1655141205 JZXWFQNMGOIOPR-FQEVSTJZSA-N 404.515 1.556 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNc2cnc(C#N)c(C#N)n2)c1 1655455915 RUASRWLJQAVOQX-UHFFFAOYSA-N 421.280 1.681 30 10 HDEE CS(=O)(=O)c1ccc(N2CCO[C@@H](c3ccc(C#N)cc3)C2)c(S(C)(=O)=O)c1 1655902132 LILWVTJXDIJPDD-GOSISDBHSA-N 420.512 1.943 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccc(Br)c(C(=O)OC)c1 1665326106 WCRACRNDYXEHQK-LLVKDONJSA-N 404.282 1.942 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1)C1CCOCC1 1674596689 GZOVCFQCXHWVLE-RTBURBONSA-N 420.554 1.751 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1675516698 UGGWCFXNIBGHDH-OAHLLOKOSA-N 422.530 1.800 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1cc(S(C)(=O)=O)ccc1F 1681770544 DUWVOAKTZDMAKR-SFHVURJKSA-N 405.451 1.976 30 10 HDEE CO[C@@H](CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCOC1 1682631664 VSBKZWWCCHLLCF-PBHICJAKSA-N 415.450 1.689 30 10 HDEE C#C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)c1ccc(Br)cc1 1683513145 XYXLYZSTJNKGEH-CJNGLKHVSA-N 407.312 1.885 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCC(=O)NC1CCCC1 1686100961 FBAYFEMHLBMBGL-GFEQUFNTSA-N 403.523 1.665 30 10 HDEE C#C[C@H]1CCCN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1686368930 ZVLPRXXRLANYSP-HKUYNNGSSA-N 401.482 1.898 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1687205983 KAHOXYZUFCYLSM-MRXNPFEDSA-N 409.508 1.140 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@](C)(O)CCOC 1689978083 LRDGVEACYGCQLH-VWKPWSFCSA-N 421.542 1.906 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1689989975 KHYSLZZKEIRDQI-FXAWDEMLSA-N 408.568 1.969 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CC1 1690122671 YQFDEFVNFVCGGM-UHFFFAOYSA-N 413.547 1.775 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CCCn2ccnn2)CC1 1690133345 COQBPGZXTNSEMH-UHFFFAOYSA-N 424.484 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCSC2)CC1 1690142580 QYHYXHBZSMMDJW-HXUWFJFHSA-N 414.535 1.107 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCC(F)F 1690210676 HLRKKYAYFZSOGJ-LJQANCHMSA-N 405.453 1.513 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1690359246 WKHCLPPBLVIEMV-RDTXWAMCSA-N 410.906 1.285 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](N2CCCCC2)C1 1690671260 SFTYSKRISSCKEX-ROUUACIJSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@@H](c2ccc(F)c(F)c2)C1 1690676816 FJTORPMPDMVZIL-QGZVFWFLSA-N 421.448 1.973 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nccs2)C1 1690685057 UUUZJMAGNHNTLI-HNNXBMFYSA-N 402.524 1.995 30 10 HDEE CC(C)C(=O)NCCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1691510170 UIVRPVDEVHHGPE-UHFFFAOYSA-N 410.526 1.767 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1693867046 GKINDMPSDIWJEM-WBVHZDCISA-N 401.515 1.080 30 10 HDEE CCN(CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)CCC(F)(F)F 1695758484 FTLHZWWAXWPBGW-HUUCEWRRSA-N 416.448 1.785 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CC(=O)NCC(F)F 1698152623 YUPLFKFTRPAELG-ACJLOTCBSA-N 414.457 1.513 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705516468 CDHKQEFOVOKSEH-MSOLQXFVSA-N 423.583 1.693 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)N(C)C)c1 1705540122 NWIQDHOIDZUFAV-UHFFFAOYSA-N 408.506 1.528 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc(C)n(C)c1=O 1705571974 MVAIEZJZPHJBQB-UHFFFAOYSA-N 408.506 1.325 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1705613340 YMQWJLYPNPKRSF-QGZVFWFLSA-N 423.583 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@@]1(C)COCCO1 1705631007 OCFSNHRHTNEHLH-NRFANRHFSA-N 418.469 1.888 30 10 HDEE C=CCCCn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705823439 LSURBGUTKBEZJI-HKUYNNGSSA-N 404.559 1.770 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1705931723 YHERRONEZRATEV-WMZOPIPTSA-N 418.519 1.922 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2ccc[nH]2)n1C[C@]1(O)CCS(=O)(=O)C1 1706461511 CXYDVUKNFFODJF-LJQANCHMSA-N 420.539 1.589 30 10 HDEE CC1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1708138463 SJXYXOLEPGFVDN-SFHVURJKSA-N 417.558 1.657 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722287296 LSZBMWQGFZLLJT-PKOBYXMFSA-N 409.538 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(N)(=O)=O)cc1 1722290089 VDVHQYXMWPAMGJ-AWEZNQCLSA-N 413.507 1.027 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccnc1OCC 1722296361 PCUDNDPAXHFPAV-ZBFHGGJFSA-N 403.508 1.480 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1722369817 ALXUSZXRNYQORE-UHFFFAOYSA-N 422.489 1.055 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCC2(C1)OCCO2 1722387579 MIAMWEPYAMPAHT-QYZOEREBSA-N 414.506 1.618 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC)CC1 1722626489 CZDUDULORXDPTC-HNNXBMFYSA-N 406.487 1.100 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1722629253 OGZZCSSHXDESAH-FQEVSTJZSA-N 418.498 1.024 30 10 HDEE CC(C)C(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723093176 LPLAJLVNPKUFFT-IAGOWNOFSA-N 401.515 1.078 30 10 HDEE C[C@@H]1CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1726708623 HTGNNOXDRAXWNT-ZEVGMECHSA-N 421.505 1.883 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1740626748 YSHHHHFOMVUFEA-ROUUACIJSA-N 405.568 1.198 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nncn1C 1740644890 XZFFVNCNWNZOFB-UHFFFAOYSA-N 416.489 1.787 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)nn2C)CC1 1740691624 KNVWFRNUBUFEQM-UHFFFAOYSA-N 400.490 1.662 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(C)(C)OC)CC1 1740692484 JXZJPJNAOFSEAT-UHFFFAOYSA-N 421.509 1.101 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740718285 LJSWSBHMKFTBLQ-JKSUJKDBSA-N 403.552 1.643 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1740883383 RQDSBMNLLUCHNM-UHFFFAOYSA-N 409.494 1.533 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740945126 IRGUVKNTCFAGKA-UHFFFAOYSA-N 419.489 1.960 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1740957501 PSCVCHAIEINMOT-UHFFFAOYSA-N 421.461 1.445 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCCN(C(C)=O)CC1 1740961353 UJZXLALBNLZPKB-UHFFFAOYSA-N 414.485 1.369 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1741000280 WZEHURKHURYYLR-CQSZACIVSA-N 410.569 1.710 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)CC1 1741085789 HFLAGHVUVJSTPA-UHFFFAOYSA-N 405.466 1.098 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCOCC1 1741135027 NLSDYEFWBQYZQC-QGZVFWFLSA-N 403.531 1.109 30 10 HDEE CCc1nc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)no1 1744470562 HOFSUNRKSJEPMB-UHFFFAOYSA-N 421.465 1.853 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1748641319 FJVJOXNZQYSETC-IPJJNNNSSA-N 418.586 1.414 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO 1748682453 VUGZDGBMMIMWDU-YJBOKZPZSA-N 402.568 1.939 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748745193 IBIHGJZTFFNUAZ-UHFFFAOYSA-N 409.538 1.821 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCOC[C@@H]1OC 1748935584 YGDLIXBIRCSIRK-HOTGVXAUSA-N 417.535 1.781 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)Nc2ccccc2)CC1 1748991485 YNVPGXYXFDJGNV-IBGZPJMESA-N 422.533 1.956 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccc(F)cc2)n1CCNS(C)(=O)=O 1749071887 WEFNGDLSJZVOGK-LJQANCHMSA-N 405.499 1.549 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)NS(C)(=O)=O 1749140540 QMWFURISRQVILB-GUTXKFCHSA-N 409.516 1.347 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1749187589 WJZREMLSZHAPOZ-CQSZACIVSA-N 400.443 1.752 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1749235871 WQQQWTORHNCQSO-QGZVFWFLSA-N 401.515 1.434 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1749236041 ZQCNDVRUCBBMAO-DLBZAZTESA-N 416.526 1.241 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1749499821 OOKFPWOFODEIRR-UHFFFAOYSA-N 407.540 1.988 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1749553156 OWMPVQYOGCEZOJ-HXUWFJFHSA-N 411.554 1.942 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCO[C@H](C)C1 1749678038 SYUVBZPMDMAYIK-CQSZACIVSA-N 418.523 1.187 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749709378 OZPAPXXHTHVLSU-MXLIYFDZSA-N 412.494 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1749721207 CKPFEWDCXIJAAG-KRWDZBQOSA-N 422.555 1.797 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1)N(C)C 1751152725 QQFGZLMDUKQZPY-OPAMFIHVSA-N 423.521 1.538 30 10 HDEE Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@](C)(C#N)C2)c(=O)n1C 1751517849 CHAHGRJSKHXBHE-OAQYLSRUSA-N 406.494 1.864 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1760135978 OXTQECBJZSHBDZ-IBGZPJMESA-N 408.506 1.971 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1760182132 GWEITJUBEQRMKV-ULQDDVLXSA-N 410.540 1.080 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCNC(=O)C1CC1)[C@H]1CCS(=O)(=O)C1 1760190017 XIAKPDUXGRVRAM-KRWDZBQOSA-N 419.551 1.089 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](CCC)OC)CC1 1760257144 PTRFMQFZDGWPEV-KNQAVFIVSA-N 419.570 1.889 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760453728 GOHNINWVWRJSLW-CYBMUJFWSA-N 404.437 1.302 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CC(=O)NC(C)(C)C 1761257992 DHFZEFKPQNFFAP-UHFFFAOYSA-N 411.510 1.692 30 10 HDEE CCOCc1nnc(N2CCCC[C@@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1766373652 RRVATSOZHIFXII-MRXNPFEDSA-N 407.496 1.731 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1Cc1cnn(C)c1 1767341822 KMUCUXPEEBOVIM-UHFFFAOYSA-N 413.507 1.469 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CC[C@@](F)(C#N)C2)n1CCC(=O)NC 1767625569 CIFMQTJUUCVBIO-HXUWFJFHSA-N 416.457 1.834 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1770356456 QGQCFBWLEZYTII-OAHLLOKOSA-N 424.914 1.267 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)c(OC)c2)C1)[C@@H]1CCN(C)C1=O 1848993122 TUUFIZBMMXIAEP-GOEBONIOSA-N 401.463 1.302 30 10 HDEE CCCCN(C)S(=O)(=O)c1ccc(C(=O)N2CCc3[nH]nc(C#N)c3C2)cc1 1849604181 MSWQIEMVQSCRTM-UHFFFAOYSA-N 401.492 1.900 30 10 HDEE CN(C(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C1CN(c2nccnc2C#N)C1 1849877034 ZEFIUDSAPAKZNB-FXAWDEMLSA-N 404.474 1.605 30 10 HDEE O=C(CNS(=O)(=O)c1c(Cl)cccc1Cl)NCC#CCN1CCCC1 1850078771 ATEDGSLVGJKPLQ-UHFFFAOYSA-N 404.319 1.487 30 10 HDEE C=CCN(C(=O)c1ccc(CN2CCN(CCOC)CC2)cc1)[C@@H]1CCN(C)C1=O 1850379555 KNTIUWWINVLLJL-OAQYLSRUSA-N 414.550 1.310 30 10 HDEE Cc1noc(-c2ccc(N3CCC[C@@H](C(=O)NCC#Cc4cnn(C)c4)C3)nc2)n1 1850446770 IJFPWVVPLJLADI-GOSISDBHSA-N 405.462 1.558 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(CCc2ccc(Cl)cc2)C1)[C@@H]1CCN(C)C1=O 1850862800 LYAFYSVWBLDITD-SJLPKXTDSA-N 403.910 1.976 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3c(F)c(F)c(OC)c(F)c3F)C(=O)C2)C1 1853633318 WSHUHRPCSGOQHW-LLVKDONJSA-N 415.387 1.796 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cccc(OC)c2OC)C1=O)[C@@H]1CCN(C)C1=O 1854186592 RLARVLRMMSKRPQ-CVEARBPZSA-N 401.463 1.164 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)C1=O 1854306507 QNYOAQLATABEKC-CABCVRRESA-N 408.499 1.721 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(c3ncc(F)cn3)C2)C(=O)C12CCCC2 1854465974 YBVVUFIEDWFPSP-HNNXBMFYSA-N 414.485 1.728 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CCN(C(=O)C4CC4)CC3)C2=O)cc1C#N 1854838823 WHMXMGWADAQLQJ-FQEVSTJZSA-N 408.502 1.942 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3C[C@@H](CN(C)CCC#N)CCC3=O)CC2=O)cc1 1855537417 HRKFRRKHPIZXEQ-SJORKVTESA-N 412.490 1.659 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1855597560 FYNXWZQGZYNARY-FUHWJXTLSA-N 400.483 1.071 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1856261575 BLYOLHCBZFGWJT-ZIAGYGMSSA-N 418.448 1.279 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856531442 IENAKFUKVIRTCI-CRAIPNDOSA-N 404.474 1.849 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(CCN3CCCC3=O)C3(CCCC3)C2=O)cc1 1856782239 QJOMZCKROQKGIK-UHFFFAOYSA-N 408.502 1.707 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3cc(-c4cccnc4)nn3C)C(=O)C2)C1 1856844396 PYDRKJIYGUOMHL-GOSISDBHSA-N 408.506 1.417 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@@H](C)Cn3cnc4ccccc43)C(=O)C2)C1 1856856557 DKKOTVFPORKEQG-OALUTQOASA-N 409.534 1.994 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@H]1CCN(C)C1=O 1857061096 NSABGENGDOAEBI-AEFFLSMTSA-N 414.506 1.578 30 10 HDEE COCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C(=O)O 1857896615 NKCFFHBVKKIVHI-UHFFFAOYSA-N 417.443 1.632 30 10 HDEE CN1CCC(=NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)NC1=O 1866023451 UNZOTPOFCSKVPM-QGZVFWFLSA-N 404.426 1.864 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)nc(Nc2ccc(OC)cc2)[nH]1 1871562763 DBKZPCPEYLYTJV-UHFFFAOYSA-N 400.483 1.645 30 10 HDEE C=CCN=c1nc(N2CCC(N(C)C)CC2)[nH]c(=Nc2cc(OC)cc(OC)c2)[nH]1 1871688514 CTQABYVHBJRTSU-UHFFFAOYSA-N 413.526 1.605 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2cccc(OC)c2OC)CC1=O 1872974335 JAIIQSBIXSOJDX-XOBRGWDASA-N 410.474 1.936 30 10 HDEE N#C[C@H]1CN(c2nc(Cl)nc3c2S(=O)(=O)CC3)CCN1Cc1ccccc1 1914873590 ONMPMXJLEGMACQ-AWEZNQCLSA-N 403.895 1.674 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@@H]1C#N 1964950379 DTTUHWHWHYVUNA-OALUTQOASA-N 415.538 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(C(=O)N2CC(CB3OC(C)(C)C(C)(C)O3)C2)C1 1985101388 RMCSJDMTPRJNTK-UHFFFAOYSA-N 410.320 1.766 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C[C@H](O)C1 1990027514 VLUBXSLAGFKLDH-PJSUUKDQSA-N 424.498 1.376 30 10 HDEE CC(=NO)c1ccc(CNS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 2130969552 GNFWGEQRIJYIOL-UHFFFAOYSA-N 415.471 1.991 30 10 HDEE C#CCCN(CC(C)C)C(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2180085895 IDZMIILPPPDEGB-INIZCTEOSA-N 400.541 1.919 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C(=O)N[C@H](C(=O)O)C(C)(C)S)(CCO1)C2 2195311716 ZYRRFLRKNRVXBG-IPPDQLOFSA-N 402.513 1.728 30 10 HDEE C#CCN(C(=O)[C@]1(CNC(=O)OC(C)(C)C)CC1(F)F)[C@@H]1CCS(=O)(=O)C1 2196488456 CCGRTRSSIQXCLV-MLGOLLRUSA-N 406.451 1.185 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)NCC2(NC(=O)OC(C)(C)C)COC2)C1 2243261932 UCDALIZCJNHGQI-UHFFFAOYSA-N 423.510 1.703 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243398178 NWDBTUMOOZIVQX-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245261176 YJKBDKQUTCUSFE-VMFRVMOISA-N 410.320 1.908 30 10 HDEE Cc1cnc(C(=O)NOCCNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c1 2247818272 YIJSUMPZDAYDQP-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE CN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)Cc1ccccc1 2247822002 BCGRTXSBNRYLGE-UHFFFAOYSA-N 412.343 1.971 30 10 HDEE C[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247838633 LEPSAEYHTKLSAO-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)NC1CC(CNC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247917642 GLNPBOOJLFJXDM-UHFFFAOYSA-N 420.319 1.742 30 10 HDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)[C@@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247937198 JNZMRHGRXMLWNH-VXGBXAGGSA-N 421.307 1.683 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1ccc(Br)cc1C#N 2249528520 SVTMONUPKNLTAA-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)CNc1c(Br)cccc1C#N 2249542999 ZCIJVHHDMFVANT-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE C#C[C@@H](C1CC1)N(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258190508 ZRRDOHFGRDJMJE-IRXDYDNUSA-N 408.476 1.128 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCOC(F)(F)F)OC1(C)C 2267725026 RYXIXJQBLUIKLU-UHFFFAOYSA-N 401.237 1.862 30 10 HDEE C#CCN(C(=O)[C@]1(F)CCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 2280423297 HZXAZPSUHDIMIW-KDOFPFPSSA-N 402.488 1.375 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282009458 PBNNQLNYFIFJDG-LLVKDONJSA-N 402.347 1.338 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282311034 CBIBBRDOIXRBEY-NSHDSACASA-N 417.745 1.723 30 10 HDEE CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338593 SDWVFXUVSKEGCM-STQMWFEESA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@](C)(O)CC3)s2)OC1(C)C 2282341000 MGMOVFYVQNTYDT-QGZVFWFLSA-N 401.359 1.973 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@](C)(O)C(F)(F)F)OC1(C)C 2282350100 IPTLWVHJIGBLEE-CYBMUJFWSA-N 415.264 1.639 30 10 HDEE CC[C@H](C)N1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282414560 UVIAERLZHUSVKG-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3CN)c2)OC1(C)C 2282422691 FCGSUVRAKDBQLX-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CCCN2)OC1(C)C 2282488646 DCAVZIXNLVIGQZ-LBPRGKRZSA-N 400.737 1.670 30 10 HDEE C=C(CS(=O)(=O)NCC1(C)CCS(=O)(=O)CC1)B1OC(C)(C)C(C)(C)O1 2282491212 MSZBTWZJISGBRG-UHFFFAOYSA-N 407.363 1.308 30 10 HDEE CN(C)[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282498666 HLFVXQPVCZSRSX-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CCC1(N)CC(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282505874 KGSFPZBWQLCQFB-UHFFFAOYSA-N 401.363 1.132 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)CCN 2282833974 NNKDBSAHZBYTER-RUZDIDTESA-N 402.347 1.039 30 10 HDEE C[C@H](C[S@](C)=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2282838878 VUHNJADMBHTTMU-NDHGSNPTSA-N 405.322 1.170 30 10 HDEE CC1(C)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282857122 CYXIDEPGJWEIMS-LBPRGKRZSA-N 401.359 1.686 30 10 HDEE Cc1nc(S(=O)(=O)N(C)[C@@H]2CCSC2)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870388 RDSSTXMSBFUWDW-GFCCVEGCSA-N 401.363 1.154 30 10 HDEE COc1[nH]c(=NC[C@@H](CO)NC(=O)OC(C)(C)C)ccc1B1OC(C)(C)C(C)(C)O1 2301563096 WFJNONDLFQSEHW-ZDUSSCGKSA-N 423.319 1.109 30 10 HDEE CC(C)N1C[C@H](c2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)CC1=O 2322038196 IXOFYQXXTRCXEJ-GFCCVEGCSA-N 409.493 1.420 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@H](O)c1cn(C)nc1I 2361373054 JNKJKJXCYQIVPZ-VXGBXAGGSA-N 405.305 1.935 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CCCNC(=O)OC(C)(C)C 2365213168 VQHCUNQUHCPDIL-BEFAXECRSA-N 404.573 1.847 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)c1nn(C)cc1I 2367789346 CVAYJJXKNRVPOV-NSHDSACASA-N 407.277 1.256 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCCN1C(=O)OC(C)(C)C 2367790912 ICHZIKVNCMXDSR-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CCC[C@H]1NC(=O)OC(C)(C)C 2367830776 LTISXAPHXLMCRI-SPYBWZPUSA-N 400.541 1.353 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc([N+](=O)[O-])ccc21 13791905 BHVPOGHFCHXPSO-NUMWXTGKSA-N 422.488 1.343 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCCCN2CCCC2)CC1 53560204 RHAZXHDRCWSGHR-UHFFFAOYSA-N 405.524 1.060 30 10 HDEE CC[C@@]1(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCN(C(=O)NC)C1 65292116 KFQBCRGWKHVORI-LJQANCHMSA-N 405.524 1.058 30 10 HDEE Cc1cc(Br)c(S(=O)(=O)N[C@H](C)/C(N)=N/O)cc1Br 158629912 KFXPYGMVWYWIAU-ZCFIWIBFSA-N 415.107 1.933 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 208883689 ZCWKAFJGYCBEFR-CSBXVMIQSA-N 416.547 1.833 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(OC)c1 409478641 HCBJVUPVFPWFJD-ZDUSSCGKSA-N 412.450 1.149 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)cc1C#N 427146264 VSFMJSSNVAEVNO-UHFFFAOYSA-N 420.454 1.920 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@]1(O)[C@H]2[C@H]3C[C@@H]4[C@H]5[C@@H](C[C@H]42)[C@@H]1[C@@H]53 428008626 QGALDPDKHWFDCN-VTZMRPLNSA-N 417.513 1.776 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446519465 AKAIUMQYHAJPIV-SMDDNHRTSA-N 408.388 1.605 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 460766403 HTVUJKKZLPVDSV-UHFFFAOYSA-N 417.472 1.652 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461749123 SKUBAYIZIKLCEF-QGZVFWFLSA-N 414.433 1.366 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)C(C)(C)C)ccc2F)CC1 463371693 WAKRSKWGFUQFIL-UHFFFAOYSA-N 404.486 1.870 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1CC(=O)NCCN1CCc2ccccc21 464857816 QVISHJZUFHFATG-KRWDZBQOSA-N 405.506 1.038 30 10 HDEE CO[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(C)(C)C 467256796 CGFMOHVKCRJRJU-QGZVFWFLSA-N 408.524 1.635 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(c3cnc(C#N)cn3)CC2)cc1OCC 475351000 AVHFYNUZGQMJQB-UHFFFAOYSA-N 417.491 1.657 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)CCC1 477571699 NBECIOSXTALWGY-SFHVURJKSA-N 402.520 1.433 30 10 HDEE COc1cc(CN2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc(OC)c1OC 477593093 RRYXNAHJKCPWSP-UHFFFAOYSA-N 423.535 1.854 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)n1 481282466 XQCABWIGKRWVPI-CQSZACIVSA-N 423.882 1.411 30 10 HDEE Cc1ccc(CN(CCO)CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)o1 483209543 CAIQWHATNZGSBF-SFHVURJKSA-N 402.520 1.853 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)cc1 485043975 UWOIZWHHQPLQBM-OAQYLSRUSA-N 416.478 1.729 30 10 HDEE CN1CCN(c2ccc(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)cn2)CC1 505747096 FULRGKJEUNAFQZ-OAQYLSRUSA-N 401.511 1.711 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C#N)C1CC1)n2C 505917167 NNMMPWYXLBLSHP-KRWDZBQOSA-N 417.535 1.955 30 10 HDEE C=CCn1c(COc2ccccc2OC)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508735338 VWWXKZYIADEUNM-HNNXBMFYSA-N 406.508 1.923 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2CN(CC)CC)CC1 522309614 WMZZPBGDZYDSQN-UHFFFAOYSA-N 401.555 1.658 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NCCOc1ccc(F)cc1F 542290576 SNNTXZWHQSJJJM-UHFFFAOYSA-N 419.384 1.995 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ncn(C2CCCCC2)n1 543301009 OQIQEXWIQMILFO-ZDUSSCGKSA-N 402.480 1.960 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)CC1 604184046 FRBIUFDQNLIKEO-KRWDZBQOSA-N 419.957 1.796 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)c(F)c1 609233717 URQQYRMHTYHUPU-UHFFFAOYSA-N 409.464 1.716 30 10 HDEE CCC1(CC)CN(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCS1(=O)=O 614467183 ZCTBJGNSLQCYHY-UHFFFAOYSA-N 419.551 1.921 30 10 HDEE N#Cc1ccccc1NC(=O)CCN1CCN(c2ccccc2S(N)(=O)=O)CC1 615456191 JBVQDHRSUXJTHD-UHFFFAOYSA-N 413.503 1.356 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(CC(=O)N(C)C)CC1 669818574 ZNLKFYRRGQCONT-FPOVZHCZSA-N 424.549 1.920 30 10 HDEE C#CCCCOC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 727040846 IYZVYZOVAYKBPJ-UHFFFAOYSA-N 402.266 1.759 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCN(CCOC)CC3)ccc2c1=O 729341934 KZWITLBZTQXCHQ-UHFFFAOYSA-N 402.520 1.666 30 10 HDEE C#CCN(CC(=O)N[C@H](C)c1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 731213588 GYIAOVPCENKIIV-NVXWUHKLSA-N 408.520 1.393 30 10 HDEE CSCC[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)N1C(=O)c2ccccc2C1=O 732648957 LMCSGENLZCDDPY-MAUKXSAKSA-N 412.515 1.603 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CCN1C1CC1 732652109 NHYJOQKKSQWWEQ-QUCCMNQESA-N 410.518 1.893 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CCN1C1CC1 732663972 JECFZDWLPDWQBG-CQSZACIVSA-N 417.466 1.767 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732696259 AYTSLJWXEDZRSD-INIZCTEOSA-N 405.524 1.967 30 10 HDEE CCc1ccc(CN2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)s1 746285486 RBJAUDIKOJENSL-VXPUYCOJSA-N 402.520 1.871 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(C(=O)NCCO)CC1 749672599 ADNIZJVXOQTLIZ-MRXNPFEDSA-N 402.495 1.151 30 10 HDEE Cc1ccc(-n2nnc(CC(=O)NS(=O)(=O)Cc3cccc(C#N)c3)c2C)cc1 750416323 HNGIRRLLJLRTCY-UHFFFAOYSA-N 409.471 1.945 30 10 HDEE Cn1cc(C(N)=O)cc1C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 756681742 FKDFFFSIBJUVHK-UHFFFAOYSA-N 407.348 1.468 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CC2 758750171 DXLKHCSMORTAES-GOEBONIOSA-N 416.482 1.090 30 10 HDEE CC#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1F 762509446 LHIBXZYEIMEGMI-MRXNPFEDSA-N 408.474 1.988 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 762510531 MFWRTQCUYIRQMD-DVCONVQISA-N 401.536 1.015 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Br 769744913 ZZIWKGHFWZMJSE-CYBMUJFWSA-N 412.309 1.665 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(Cc3ccccc3)c2=O)cn1 772278316 QBOMOZVXNVYWAA-UHFFFAOYSA-N 419.510 1.284 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772912336 WWNDHSNHOXVGDL-UHFFFAOYSA-N 402.479 1.598 30 10 HDEE C#CCN(C(=O)NCc1ccc(NC(=O)c2ccco2)cc1)[C@H]1CCS(=O)(=O)C1 773314422 ODSQYAZPYADMQA-KRWDZBQOSA-N 415.471 1.864 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)cc(C)c1 773661580 AHVXAZURLHZZFC-KRWDZBQOSA-N 401.463 1.853 30 10 HDEE CCOC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)n(C)c2)cc1C#N 774619488 BJAJEQGTRXGHDH-UHFFFAOYSA-N 419.463 1.968 30 10 HDEE N#CCN1CCC(CNC(=O)[C@@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780949990 IQUMSWBGLRCZBZ-OAQYLSRUSA-N 400.479 1.424 30 10 HDEE C#Cc1cccc(NC(=S)/C(=C(/O)c2cnn(C)n2)n2ccc(=[N+](C)C)cc2)c1 789403950 YTUDVDXFSZMMGL-UHFFFAOYSA-O 405.507 1.953 30 10 HDEE COC(=O)c1nn(CN2CCN(c3cnccc3C#N)CC2)c(C)c1Br 793675347 WTBHKDJGWWFHCA-UHFFFAOYSA-N 419.283 1.787 30 10 HDEE COC(=O)CCCONC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 808820273 XVXWPMRLTAFFHP-HMMYKYKNSA-N 412.468 1.506 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 809920418 YOYQPWOULHATMV-LJQANCHMSA-N 410.522 1.556 30 10 HDEE CC(C)N(C)Cc1cc(O[C@@H]2CCN(S(=O)(=O)N(C)C[C@@H](C)C#N)C2)ccn1 856550640 FNBCUHNALLDLAT-QFBILLFUSA-N 409.556 1.711 30 10 HDEE C#CCN(C(=O)c1cccc(OCC(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 1125883302 KIUZKPDBPSHQPP-MRXNPFEDSA-N 407.488 1.670 30 10 HDEE COc1cc(NC(=O)Cc2ccc(C#N)nc2)ccc1S(=O)(=O)N1CCCC1 1126190900 IPVPAPVDLRLNET-UHFFFAOYSA-N 400.460 1.928 30 10 HDEE CC(C)OCCOCc1cccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1136515457 NRTVJDIEQJKPDG-UHFFFAOYSA-N 400.435 1.791 30 10 HDEE CN(CC(=O)NCc1cccs1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1146219063 MUYUPEXFDPGENC-UHFFFAOYSA-N 409.464 1.573 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)n[nH]2)c1C 1148028715 HRVAKCCDQGBJPN-OAHLLOKOSA-N 422.493 1.735 30 10 HDEE C[C@H](CC(=O)N[C@H]1Cc2ccccc2N(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1150079251 MGSPGLMZDDNSCD-ZBFHGGJFSA-N 412.515 1.681 30 10 HDEE C#CCN(C(=O)c1cnn(CCN(C)C)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366641 CGISXWGCDPIYER-UHFFFAOYSA-N 403.527 1.920 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1156253669 GLOZFCPCJXBNCR-HOTGVXAUSA-N 403.483 1.896 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCC(F)(F)C(F)F 1156948679 RTFASQMJHTZNCL-RYPBNFRJSA-N 404.282 1.989 30 10 HDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1168652347 AUDVFDCQJLKZLB-LJQANCHMSA-N 420.391 1.813 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC[C@@](C#N)(c4ccccn4)C3)sc2n(C)c1=O 1171218537 DCBNZMRPPUALLL-FQEVSTJZSA-N 409.471 1.391 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCC[C@@](C#N)(c2ccccn2)C1)[C@@H]1CCS(=O)(=O)C1 1175211039 IRZXSFIDLKJUCA-UEXGIBASSA-N 418.563 1.753 30 10 HDEE C=C[C@@H](COC)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1226866834 MZGVXPYXDWSIOB-HOTGVXAUSA-N 410.515 1.441 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC(=O)N(C)C 1286275555 OCRBWKYETWWRLQ-CYBMUJFWSA-N 417.539 1.093 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1286290016 NCMSXFUXZRDZHI-GJZGRUSLSA-N 416.503 1.957 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1286348868 PLIWVBYAFCXKMS-CYBMUJFWSA-N 405.480 1.043 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(Cn2ccnc2)c1 1286379446 RXCOHEJCZJZJEF-UHFFFAOYSA-N 403.490 1.763 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1C[C@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1286386466 AEAOYZFJHVOCJF-ROUUACIJSA-N 415.563 1.830 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1286387877 VTNXZODCOXAEIO-MRXNPFEDSA-N 401.492 1.003 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 1286393034 JVKUKCIFXFHVHW-RBUKOAKNSA-N 414.531 1.765 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1286606137 HXEANOWIIHNDAE-MELADBBJSA-N 417.432 1.978 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1286785606 OZPBKIYVAXXQES-INIZCTEOSA-N 408.510 1.388 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1286787535 GZUYGZAHRCWDDV-HNNXBMFYSA-N 400.439 1.629 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1286788166 QXZRCORZJOZIIH-KRWDZBQOSA-N 418.542 1.217 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCC(F)(F)C1 1286791174 OPUQHHDTFFRIGR-OAHLLOKOSA-N 405.405 1.938 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)CC1 1286796824 WVNCANYKYSGPCG-UHFFFAOYSA-N 421.505 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC(C)CC1 1286819143 BJQBOKAONHLSLL-UYSNPLJNSA-N 409.556 1.845 30 10 HDEE Cc1c(C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cnn1CCC#N 1288265660 AXFBHZDITRPQTG-QFIPXVFZSA-N 407.474 1.749 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1Cc1cnn(C)c1 1291194783 DTDBYQSWBIIHCY-OAHLLOKOSA-N 420.525 1.734 30 10 HDEE CS(=O)(=O)N(CC(F)(F)F)C1CCN(C(=O)c2cccc(C#CCO)c2)CC1 1293532828 MJUFIPJQGHHHQX-UHFFFAOYSA-N 418.437 1.459 30 10 HDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H]1C 1296172846 AVKBRBFDYHAHCF-SJLPKXTDSA-N 423.521 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1300327412 CASCZLUMIZMAHT-WNHJNPCNSA-N 403.527 1.719 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCN1CCCS1(=O)=O 1300439724 HAAJSJLFOFOBNW-UHFFFAOYSA-N 419.507 1.067 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1300502833 YKCQBCAFCHTRHJ-SJORKVTESA-N 422.576 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NCC)c1 1300544756 DUCKJUPAMZBYHK-UHFFFAOYSA-N 418.501 1.271 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1Cc1cnnn1C 1300595840 RENWEHDGBIJRNC-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1300763450 PQMRNNMXSBOPSA-HZPDHXFCSA-N 412.581 1.408 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1ccnc1C 1301425569 WNQGSRSICWANDY-INIZCTEOSA-N 408.528 1.024 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301498201 KSWZBFDHXWIPFS-UHFFFAOYSA-N 424.571 1.146 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](c3cccc(OC)c3)C2)cc1 1302003368 ONIRNUFPZVOHIC-HXUWFJFHSA-N 415.515 1.946 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]3OCCNC(=O)[C@H]32)CC1 1302878714 PIIILENNQGMANJ-AEFFLSMTSA-N 405.495 1.143 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCCS2)CCOC1 1303504210 FZKFYRNCCXFUCG-JTDSTZFVSA-N 407.540 1.943 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1303935812 XQLALKNDLNLVAT-DYESRHJHSA-N 416.526 1.945 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1OC 1316329751 FQAHMDTYFGQYOD-FVJLSDCUSA-N 410.478 1.145 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@H]2CCOC2)cc1 1316534124 PERHETMECWICFZ-ROUUACIJSA-N 424.505 1.857 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(F)(F)C1 1316568701 XYCNRYUPKAZIRQ-PEZBUJJGSA-N 403.393 1.645 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N(CC)CC 1349704051 MFFWKLUMSWFWMC-INIZCTEOSA-N 423.535 1.531 30 10 HDEE COC(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)CC1 1354360385 KSTFBQJVSHKMMA-FXBPSFAMSA-N 422.507 1.916 30 10 HDEE C#CCN(c1nnc(C)n1CCc1nc2c(s1)CCCC2)[C@@H]1CCS(=O)(=O)C1 1358957503 VJOSQMKCCTWMCT-OAHLLOKOSA-N 419.576 1.791 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N(C)C 1359023538 NJHRAVQEANCYAF-UHFFFAOYSA-N 408.462 1.774 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2CCS(C)(=O)=O)CC1 1359030085 NVCHXRVMOQQNOF-IBGZPJMESA-N 415.563 1.620 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN2CCOC[C@@H]2C)CC1 1359033874 USDKCZJLELQZKD-IBGZPJMESA-N 424.549 1.430 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1359240225 JHEMWZZPAMZDCG-HNNXBMFYSA-N 404.492 1.622 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359300162 VNBPVEZHSZIKLG-HZPDHXFCSA-N 420.514 1.537 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1437881139 YNICXETVBWVNKO-FQEVSTJZSA-N 415.515 1.504 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCNS(=O)(=O)/C=C/c2ccccc2)CC1 1449420050 BIKQIIAYWYLHAI-RIYZIHGNSA-N 405.476 1.272 30 10 HDEE C#CCN(C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1)C1CSC1 1453163856 GNGZKXUIZGHTGR-UHFFFAOYSA-N 417.350 1.647 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)CC1 1455445084 JRVIPXQIMSVPKS-ZHALLVOQSA-N 419.547 1.524 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1456787373 UDYZFSQHSKKMJQ-BEFAXECRSA-N 409.324 1.839 30 10 HDEE C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457202256 ZHBDMULRCRQWID-JTQLQIEISA-N 408.336 1.690 30 10 HDEE C=CCN1CC[C@@H](N2CCS(=O)(=NS(=O)(=O)c3ccc(C)cc3)CC2)C1=O 1460197585 OXOQVXLXDJQTQU-QGZVFWFLSA-N 411.549 1.254 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1 1460222364 MNJPJDIMYOHQCC-CABCVRRESA-N 400.522 1.161 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1460943473 VKOZXVNXEYCSKW-KKSFZXQISA-N 407.559 1.666 30 10 HDEE COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)c2cccc(C#N)c2Br)C1 1461636742 OABZVIHCPUHMTQ-AAEUAGOBSA-N 409.236 1.888 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(CCNC(=O)OC)s1 1464031470 QUDJUTMAPLESNC-UHFFFAOYSA-N 416.521 1.612 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)[C@@H]1CCS(=O)(=O)C1 1467225446 WHAZAOADRIDEJY-OAHLLOKOSA-N 411.505 1.209 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)C1=O 1467532413 SUVSURCUHPURLF-HRAATJIYSA-N 420.510 1.778 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)C1 1468300169 WTMZOVQLIWBRPH-QGZVFWFLSA-N 406.552 1.660 30 10 HDEE CS(=O)(=O)N1CCN(CCNc2ccc(C#N)c(Br)c2F)CC1 1472669634 NXQFHQDHYZNOTJ-UHFFFAOYSA-N 405.293 1.449 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(OC)CCOC1 1503707883 GCGVAZVRVDRPKG-QVKFZJNVSA-N 412.494 1.441 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ncccc1N(C)C 1504885952 AFNNNGAJLOOWSK-UHFFFAOYSA-N 407.482 1.611 30 10 HDEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@H](C(=O)NC)C1 1507579909 KZKQMWMJDFAVTR-IBGZPJMESA-N 404.474 1.858 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1507649030 XLHMBFCEVDIUGO-HXUWFJFHSA-N 419.577 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1507671738 OSCOQIMGMHCBMJ-UHFFFAOYSA-N 417.560 1.429 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C(=O)NC)C1 1507798306 HAQUYGRNOXWEHJ-NUJGCVRESA-N 413.526 1.622 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507832999 RQOUYZKZDFKBMQ-WIYYLYMNSA-N 423.565 1.829 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C(=O)NC)C1 1507928840 JNJUCRYZARGSGA-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507961526 AWFBYWMGXWUFGV-NVXWUHKLSA-N 416.526 1.317 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(C(=O)NC)CC1 1508085190 DSBPWFWDBNVEOQ-UHFFFAOYSA-N 410.522 1.442 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508086224 YKZOQUCTZKGVAC-QGZVFWFLSA-N 420.521 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC3(CC2)CNC(=O)C3)nnc1C(C)(C)C 1508148100 GAZJCPUNXRTDFE-UHFFFAOYSA-N 409.556 1.283 30 10 HDEE CCC(CC)(Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)OC 1513280874 IEAINHVCEJFLDX-BBWFWOEESA-N 407.515 1.936 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](OC)C2CC2)CC1 1518642787 FYXYGXHZZVBSIQ-IBGZPJMESA-N 424.505 1.537 30 10 HDEE N#CCN(C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccccn1 1527052835 QPUJALZLBVFJEO-UHFFFAOYSA-N 404.423 1.412 30 10 HDEE COC(=O)c1ccc(NC(=O)Cc2cccc(OCC#N)c2)c(S(C)(=O)=O)c1 1529545930 IEKFKCHNUMLFGW-UHFFFAOYSA-N 402.428 1.960 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cc2ccc(C(N)=O)nc2)cc1 1534146277 FNFHEGRSWOUUBK-HAVVHWLPSA-N 415.475 1.175 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCO2)cc1 1536663137 IDOHMEAJJSLXKT-RBUKOAKNSA-N 404.426 1.599 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C[C@@H]1C(=O)OC 1537797774 VMWUKQGODYXFIB-GASCZTMLSA-N 405.476 1.391 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2Cc3ccccc3N(C)C2=O)ccc1F 1538753947 PFKRGEFKBMCFBZ-MRXNPFEDSA-N 417.462 1.608 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1539005796 VKYBTBADLUNSHN-APWZRJJASA-N 410.522 1.676 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CC(C)(C)C1)[C@H]1CCS(=O)(=O)C1 1539218958 ANUKLUVAYPBRKS-JKSUJKDBSA-N 419.551 1.292 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1539221841 RIDJYFMGPXYDPP-GOSISDBHSA-N 416.551 1.768 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(C)c1C 1539396799 QSDQZIWFLOKHMU-UHFFFAOYSA-N 408.466 1.102 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC(=O)N(C)Cc1ccccc1 1539415532 FOMNOEZICTWCLS-IBGZPJMESA-N 411.506 1.527 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CCC2(C1)OCCO2 1539417724 RCABOTVVHIRVFR-LJQANCHMSA-N 411.506 1.893 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2)CC1 1539446341 WXTLVNKDNVXZOI-SFHVURJKSA-N 414.460 1.505 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(C)n1 1539539421 UMISBVPOCAHBOY-OXQOHEQNSA-N 416.551 1.827 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCCC 1539541976 QVFOOLYJVIDWPQ-NHCUHLMSSA-N 403.527 1.837 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CNC(=O)OC(C)(C)C)C1 1540859771 GOMOVIRMMTWOCD-OAHLLOKOSA-N 404.515 1.938 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C[C@@H]1CCOC1)C1CC1 1540873398 WSVGTRUDAXFWAI-HNNXBMFYSA-N 416.551 1.941 30 10 HDEE Cc1c(NC(=O)Cn2cc(C#N)c(O)nc2=O)cccc1-c1nnc2n1CCCCC2 1541026096 DMTGJFNYPBZDDQ-UHFFFAOYSA-N 419.445 1.753 30 10 HDEE CCN1CCN(CCCCn2c(-c3cnn(C)c3)nnc2N(C)C[C@@H](C)C#N)CC1 1547730773 LYRYNEBIBIIFHH-SFHVURJKSA-N 413.574 1.692 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccnc(N3CCc4ccccc4C3)c2)c(=O)nc1O 1556728346 BNPMCVPMDWJTDU-UHFFFAOYSA-N 402.414 1.417 30 10 HDEE CCOC(=O)[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1557299799 CMXJOFDXLWAICH-GOSISDBHSA-N 421.519 1.743 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)c1 1558264777 ZOPZEMILHCSWGO-UKRRQHHQSA-N 404.410 1.828 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2c(Cl)cccc2Cl)C1 1558329377 OTLWIIXSWZQRPN-CYBMUJFWSA-N 418.346 1.876 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)[C@H]1OCCc2sccc21 1558992711 HPVYGTRWKMOVGW-KPZWWZAWSA-N 405.501 1.717 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1 1564416897 GUHMJSCBVIBRBQ-KSSFIOAISA-N 401.529 1.676 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)CC1 1565452709 JOEQHEQNSFLCDD-GOSISDBHSA-N 401.511 1.844 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N1CCC[C@@H]1[C@H](C#N)c1ccccc1 1565899905 UBDJVVVUBMHNNW-HZPDHXFCSA-N 400.460 1.154 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(Br)CC1 1570116129 PQXGUDLHGWPNFR-UHFFFAOYSA-N 400.298 1.549 30 10 HDEE CO[C@H](CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@@H]1CCOC1 1587103586 JEHVHPNQNZJVGW-IEBWSBKVSA-N 421.519 1.127 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2cccnc2)CCCN1C(=O)OC(C)(C)C 1587160757 FYMOTPUCIROUHZ-LLGFUMIMSA-N 403.479 1.385 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNC(=O)C(C)C 1588293093 MWUUACODSPWWOX-UHFFFAOYSA-N 421.509 1.543 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCS(=O)(=O)C1 1588628582 LIXDCKOYDUJNRJ-MRXNPFEDSA-N 403.508 1.169 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1588968355 JEEQVNKLHADFKC-ZWKOTPCHSA-N 417.554 1.986 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1589078380 NCIGKYTZJDOFND-PKOBYXMFSA-N 418.611 1.586 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(OC)CCOC1 1589164597 VTTGPAYHPPWFNW-NJYVYQBISA-N 404.511 1.728 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589544586 IWQJPXGIUJFCHM-RXVVDRJESA-N 418.586 1.812 30 10 HDEE C=C(Cl)Cn1c(C(C)C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1593806529 CFTGWUOETUPYGJ-UHFFFAOYSA-N 414.919 1.794 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1596849189 FRBJAJZFKOXDAM-QYSRSOONSA-N 420.564 1.777 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC(F)(F)C2(O)CCCCC2)cc1 1606905730 VTFNXMOWGQTJNR-UHFFFAOYSA-N 400.447 1.658 30 10 HDEE CC(C)OCCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1611038819 QWXAARRDLQGZBL-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1=O 1613380202 HBBSHBMZMWCDEX-CHWSQXEVSA-N 401.385 1.482 30 10 HDEE CCCN(CC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)NC 1614736901 IEUYXDJRYYLGDD-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C[C@@H](C(=O)NCCOC)CC[C@H]2C)c1 1615280369 RJJBIGXFVHJECE-WBVHZDCISA-N 400.479 1.179 30 10 HDEE CCOCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1616632637 CMVBAXPTEQKKCK-MRXNPFEDSA-N 409.556 1.983 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C[C@@H]2CCCS2(=O)=O)CC1 1618407316 RAOFECHJALQPQK-ZDUSSCGKSA-N 404.448 1.422 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCC(=O)N1 1619912501 FETQSXCYMIVGSL-CQSZACIVSA-N 418.448 1.792 30 10 HDEE N#Cc1ccc(CC(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)cn1 1624841629 IRKFDBRWTSJZGB-GOSISDBHSA-N 414.487 1.269 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C(=O)OC)c1ccc(C)c(C)c1)c1cc[nH]n1 1625812866 VEOSWGWHRKQDFJ-QGZVFWFLSA-N 416.434 1.341 30 10 HDEE CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(C#Cc2ccccc2)cc1 1626148854 OICAAVQPEHPGES-OAQYLSRUSA-N 420.465 1.607 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1cc(I)ccc1N 1631239496 SUJDWNFALPFCRE-UHFFFAOYSA-N 407.215 1.982 30 10 HDEE O=C(Cn1cnc(NC(=O)C(=O)/C=C/c2ccc(F)cc2)n1)NCc1ccccc1 1631856379 LOKUAMLDKXDUJL-DHZHZOJOSA-N 407.405 1.955 30 10 HDEE N#CCCN1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 1632349358 XGEDPYUWCJCWBI-KNTRCKAVSA-N 403.446 1.989 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N[C@@H](CC#N)C(F)(F)F)CC1 1635288430 MOXXXWSDTCGHOB-LBPRGKRZSA-N 407.418 1.388 30 10 HDEE O=C(CCC(=O)c1ccc(I)cc1)N[C@@H]1CCN(O)C1=O 1636352887 OQVLTAQFCDSTFO-LLVKDONJSA-N 402.188 1.360 30 10 HDEE O=C1[C@@H](NC(=O)C2(NS(=O)(=O)c3ccc(Cl)cc3)CCCCC2)CCN1O 1636352983 PNNSOMAUXIUDLJ-AWEZNQCLSA-N 415.899 1.428 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CN(C(=O)OC(C)(C)C)C1 1639295349 WVVXCRMZWFMXMJ-CQSZACIVSA-N 411.499 1.391 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(OC)(C(F)(F)F)CC1)c1cc[nH]n1 1639403360 WGHQQXLKJZTWKS-UHFFFAOYSA-N 406.361 1.263 30 10 HDEE CN(C[C@@H](O)c1cccnc1)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1640261111 UIKXJQKPGWUTPY-MRXNPFEDSA-N 402.476 1.092 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1641582700 JQRKKAUCXLHACQ-KSFYIVLOSA-N 413.474 1.989 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1643241165 GFCUJWKPZIIRQH-CABCVRRESA-N 408.499 1.063 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)[nH]4)C3)[C@@H]2C1 1644240117 YATXGRHMZGTXAK-BMFZPTHFSA-N 415.450 1.541 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@H](C)O[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1644798665 SMBDRGKDUXRDMU-HTAPYJJXSA-N 405.539 1.959 30 10 HDEE CCCN1CC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1646484752 GGYHQYHINYUFAR-SFHVURJKSA-N 404.536 1.559 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648028436 BATLHWPUVUFTDL-WFASDCNBSA-N 419.482 1.533 30 10 HDEE COC(=O)/C=C1\SCC(=O)N1CCCN1CCC[C@@](C#N)(c2ccccn2)C1 1655280282 DXLZBCKFFAUZJN-SQWSFHKJSA-N 400.504 1.919 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OCC 1656400648 UOYOOCHSPMKIDD-VIFPVBQESA-N 411.263 1.874 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1665501357 SJIICZGODSDQDD-OAHLLOKOSA-N 419.544 1.660 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccccc1CN1CC[C@H](O)C1 1671566418 GDLCCNUXLCDNJK-FCHUYYIVSA-N 408.502 2.000 30 10 HDEE C[C@H]1CC[C@@H](NC(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CS1(=O)=O 1681288390 XTNAATOITKEGFO-SUMWQHHRSA-N 401.492 1.724 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCS(=O)(=O)CC(F)(F)F)CCN1Cc1ccccc1 1683842390 PUIWQFCRNIGCGR-OAHLLOKOSA-N 418.441 1.383 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1689966139 LJZLSVYRYWDETB-ROUUACIJSA-N 407.584 1.904 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1CCN1CCN(C(C)=O)CC1 1689974876 BDKGLRCYYDLTQB-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@H]2CCCO2)CC1 1690170825 REAUBNVYCKGQTH-IAGOWNOFSA-N 403.552 1.991 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(CC)CCC 1690193230 IYQDQOWQWZNRQV-QFBILLFUSA-N 410.588 1.612 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1 1690256802 WSSJBXDIMXISTI-CVEARBPZSA-N 421.571 1.750 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1690648147 ISDUEBHABHRSRE-SFHVURJKSA-N 401.559 1.191 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)CC[C@H]1C 1690729005 CVQPKUDERNIJGU-HZPDHXFCSA-N 409.556 1.626 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1690971658 XFMUGYPYSLYBDC-UHFFFAOYSA-N 421.505 1.449 30 10 HDEE CC[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN(CC)S(C)(=O)=O 1694057237 IFBXMYPITJUMHI-RHSMWYFYSA-N 400.524 1.905 30 10 HDEE CNC(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1696999256 CPHYEHRCWLFDRO-QGZVFWFLSA-N 424.465 1.166 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@]4(CCC(=O)N4)C3)n2CCOCCCO)cc1 1698487163 BZTJIIXWCYUNKP-NRFANRHFSA-N 410.478 1.075 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1705480368 USWZMZGBOXFPGT-CNNODRBYSA-N 419.570 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705496286 CTOIQFVCQKOXAK-AUUYWEPGSA-N 422.938 1.530 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(S(C)(=O)=O)cc1 1705542331 DEVGULCLZDGDDI-HNNXBMFYSA-N 406.508 1.523 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCN(CC)S(C)(=O)=O 1705545307 VUTAOXHBTHXLJI-UHFFFAOYSA-N 420.495 1.594 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1ccc(C(N)=O)nc1 1705612133 AGBNOOCLPGUTHT-IBGZPJMESA-N 418.457 1.792 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1cnn(C)c1C 1705624571 GUXVGDDJXOBNOB-UHFFFAOYSA-N 422.489 1.893 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H]2CCCN(CC(C)C)C2)CC1 1705642872 KDTNGLABWQYCSI-FQEVSTJZSA-N 402.587 1.938 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCNC(=O)[C@H]1CC 1705698855 ZIEUCRUGPKGJDX-TVFCKZIOSA-N 421.542 1.698 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ccccn2)CC1 1705899007 FQANRROWNGDQTA-UHFFFAOYSA-N 403.490 1.969 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705930498 OSEXPVCMCAYNFI-UHFFFAOYSA-N 403.552 1.818 30 10 HDEE Cc1ccc(-c2nnc(N(CCC#N)CC3CC3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1707351126 ADGPIGWRTDORNX-HNNXBMFYSA-N 411.466 1.965 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(F)cc3)n2CCOCCCO)CCO1 1712885862 ASESCAUHEIUHRN-QGZVFWFLSA-N 405.430 1.124 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722367150 KPSJWGFWCRFRPW-LJQANCHMSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1722390471 RHBSQQDPOXHIBM-CYBMUJFWSA-N 406.537 1.164 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CC(F)(F)CO2)CC1 1722448286 XHXDVIAMOJBNNT-MRXNPFEDSA-N 409.481 1.867 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 1722508406 LHDFQHAUTGZEGH-SCTDSRPQSA-N 419.526 1.058 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558312 KHSVULYOCWUCBB-RDTXWAMCSA-N 411.890 1.712 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)S(=O)(=O)CC 1722639107 YWZHHNLRDLQYFC-UHFFFAOYSA-N 424.527 1.300 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](CC)C1 1722693670 WTLRPLFHAZSJAM-HNNXBMFYSA-N 417.535 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC(NC(C)=O)CC1 1722695742 OMFPAFLMFCXGJQ-UHFFFAOYSA-N 410.522 1.915 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(F)F 1722700685 QKZDAGXWGZZSCO-UHFFFAOYSA-N 403.437 1.910 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1722707445 PGUWGFIFOCKCMY-MRXNPFEDSA-N 421.505 1.959 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC(F)(F)C1 1723933990 ICQJTAKHXNCRNY-ZOWXZIJZSA-N 420.461 1.766 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)N(C)C)CC2)c1C#N 1725860530 FDGVTQMTECNYAZ-HNNXBMFYSA-N 413.574 1.766 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCCCC2=O)CCOC1 1728759707 BUPQDNRAHYDWRC-DYESRHJHSA-N 418.542 1.929 30 10 HDEE COCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC(C#N)CC2)CCOCC1 1730510856 DMAWNEUTINVTAG-UHFFFAOYSA-N 416.526 1.697 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CO)CC3)n2CC(=O)NCc2ccco2)cc1 1731183281 ZPRDXUPOHRIZIA-UHFFFAOYSA-N 420.473 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1740531276 ITVWXILVXPUVGZ-KRWDZBQOSA-N 408.506 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1740532069 XKBIHESOFSIPHJ-IAGOWNOFSA-N 408.506 1.927 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCOCCCC)[C@H]1CCS(=O)(=O)C1 1740621272 KMHHVNQJOICYPZ-KRWDZBQOSA-N 417.535 1.784 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1740627873 TUBAOZWKFUIPAV-IXDOHACOSA-N 410.540 1.224 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1740663456 JNSFVCZBHZTCME-SFTDATJTSA-N 401.511 1.401 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1740668381 LNWXFGCYKHRDTA-CQSZACIVSA-N 404.421 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCS2)CC1 1740704676 QZMWVVPFLGCACL-QGZVFWFLSA-N 413.551 1.540 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740879828 RIKQKRSHAWTWFG-INIZCTEOSA-N 401.515 1.407 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CN(CC(C)C)CCO2)o1 1742204297 DTVMSPILSGXYCM-ZWKOTPCHSA-N 414.510 1.932 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(F)(F)Br 1747194556 IGAPKVOTPXDVEQ-LBPRGKRZSA-N 419.274 1.979 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1748650578 AKJGZNGIMJHPTA-OAHLLOKOSA-N 418.519 1.348 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1748730799 UGNKYBSCKWBGAM-KRWDZBQOSA-N 410.526 1.725 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1748799810 OBEMBCREDGOMBN-QGZVFWFLSA-N 417.535 1.659 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1ncn(C)n1 1748968174 CWMOGRJVTWTXNA-UHFFFAOYSA-N 404.478 1.544 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCSC2)CC1 1748993478 ZBOWKWTUSKOSSM-OAQYLSRUSA-N 415.538 1.631 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1749493341 BRXMXQMZVDVATO-OAHLLOKOSA-N 417.601 1.622 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCc2nccn2C1 1749575659 VUFNAPIADGFCKC-IRXDYDNUSA-N 416.551 1.818 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)OC(C)(C)C 1749595596 BBWVNNZOHGXGIU-UHFFFAOYSA-N 405.503 1.842 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2nccs2)cc1 1750383765 BOUHQPVHKYKELK-CQSZACIVSA-N 409.475 1.545 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc([C@@H]4CCOC4)n3CCCCCO)CC2)c1 1750384961 WMXZRAPOZCLYJZ-GOSISDBHSA-N 411.510 1.538 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1750940766 DEINRJMIKPDAIJ-CQSZACIVSA-N 408.466 1.657 30 10 HDEE Cc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCC[C@@](C)(C#N)C2)c(=O)n1C 1751517848 CHAHGRJSKHXBHE-NRFANRHFSA-N 406.494 1.864 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1760132391 ICVRPPMREYJQDB-KRWDZBQOSA-N 413.503 1.881 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1nnnn1CC1CC1 1760160581 HMVBCNISINYSDO-UHFFFAOYSA-N 419.493 1.661 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](CN2CCOCC2)C1 1760161323 FDXBIKZXODQLAG-UFYCRDLUSA-N 417.554 1.574 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1760185654 AMUDXUKHQNYFSC-HNNXBMFYSA-N 409.556 1.018 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)CC=C)CC1 1760265162 PWBCHQYSNSCZCT-UHFFFAOYSA-N 414.554 1.984 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN(C)C(=O)OC(C)(C)C)CC1 1760269625 ACKZILLXDMORNX-UHFFFAOYSA-N 418.542 1.673 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1760324632 LEDYYHNCVYJBIQ-WIYYLYMNSA-N 410.522 1.914 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1760356965 ALWJBAPTYAVMMX-OALUTQOASA-N 416.526 1.867 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@H](C(N)=O)C1 1760359863 XATGFASONCBAEK-KRWDZBQOSA-N 423.521 1.811 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccc(C)s1 1760460500 IGLIZLOOOOJBGI-UHFFFAOYSA-N 421.552 1.649 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1760516932 YMABOKHHVGGLQF-HNNXBMFYSA-N 414.514 1.101 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC2(CCN(C)C2=O)CC1 1760525429 FWUNWKZZUJZGFB-UHFFFAOYSA-N 423.521 1.015 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(C)C2CC2)C1 1760541708 GPXINBMLJRHYGC-LZLYRXPVSA-N 423.583 1.444 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760562497 LMBPPMKLNGRXKI-CVEARBPZSA-N 401.540 1.845 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1761217002 CAMBCIWNSUPECA-FQEVSTJZSA-N 413.457 1.200 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1763755275 KMCOWXXDEDSMMK-ZHRRBRCNSA-N 422.537 1.863 30 10 HDEE CCn1c(=O)nc(O)c2c(C(=O)ON3C(=O)c4ccccc4C3=O)cc(C3CC3)nc21 1772791080 KZGQVKSVAAUYQC-UHFFFAOYSA-N 420.381 1.762 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N=c2ccnc(N3CCN(C)CC3)[nH]2)n1 1852079189 RJHHXEZOVSYQRD-UHFFFAOYSA-N 405.384 1.497 30 10 HDEE N#CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1 1852649882 PYTVVGUZISDSFE-QGZVFWFLSA-N 410.927 1.551 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCCN2CCN(C)CC2)c2ccc(C)nc2)CC1 1853465424 IRMZVEYTOSVEBM-UHFFFAOYSA-N 421.567 1.344 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)Cn4cccc4)C3=O)CC2)CC1 1853675763 PSZRTPUMYVHOAU-IBGZPJMESA-N 411.506 1.090 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CC[C@@H](Oc3ccncc3Br)C2)C1=O 1854194889 BZXGXJVVUQMVJT-OCCSQVGLSA-N 407.268 1.728 30 10 HDEE CC1=Nc2ccc(CCC(=O)N3CCN(S(=O)(=O)CC#N)CC3=O)cc2C1(C)C 1854460678 GMIKJNMZSWTFOO-UHFFFAOYSA-N 416.503 1.527 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCCc4nc(C)c(C)c(C)c43)C2=O)CC1=O 1854819537 UMNRPLUFRSRWFY-HKUYNNGSSA-N 410.518 1.921 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CCN([C@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854940350 BFWSJMGTLVWUKS-QAPCUYQASA-N 401.511 1.661 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)COc3ccc4c(c3)OCO4)C1=O)CC2 1855022438 AMDGULAHNOHBBY-DOTOQJQBSA-N 411.458 1.937 30 10 HDEE COc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1855188632 XTYBQNUCYDGZCI-QGZVFWFLSA-N 402.428 1.657 30 10 HDEE CC(=O)N1CCN(C[C@H]2CCC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CC1 1855794637 ISLAPMGKQADEIH-QGZVFWFLSA-N 416.909 1.949 30 10 HDEE C=CCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)C(=O)C1(C)C 1856389746 CVDOTDSUZLHQGM-UHFFFAOYSA-N 408.520 1.885 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCOC[C@@H]3c3cccnc3)CC2=O)cc1 1856872512 UHNSDAPDZBWWRA-TZIWHRDSSA-N 404.470 1.944 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@@H]2CCc3ccccc3O2)CO1 1856903498 OTJATORKLXUPLW-AEFFLSMTSA-N 414.439 1.800 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857066300 JVSCFKPYUKXBML-ROUUACIJSA-N 401.486 1.977 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nccc3ncccc23)C1)[C@@H]1CCN(C)C1=O 1857298385 APVGKXCDOUJDRX-CRAIPNDOSA-N 407.474 1.337 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)c3ccc(N4CCCCC4)nn3)C(=O)C2)cc1 1857387385 LGFFOABKPVVLOF-UHFFFAOYSA-N 404.474 1.823 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)CC2)c1 1858619929 AWJWOEUIGYQPIT-UHFFFAOYSA-N 412.427 1.552 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n(C)n1 1860936459 PBAYRMRULYLCPQ-CYBMUJFWSA-N 424.288 1.670 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(C)nn2CC 1864319203 PBVALXDVEPCBPJ-UGSOOPFHSA-N 412.490 1.968 30 10 HDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(NCCCCCO)ncnc21 1875228718 AQILKSLIRJYDFJ-UHFFFAOYSA-N 400.527 1.970 30 10 HDEE C#CC(CC)(CC)NC(=O)C[S@@](=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882554502 KAXRHIZZXKREQI-BCOMRZATSA-N 422.503 1.423 30 10 HDEE C#CCN([C@@H]1CCOC1)S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1964000832 AKBYWFVUHPDHAJ-OAHLLOKOSA-N 404.488 1.363 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H]2C(B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1985098544 WPKFATSGCIPCHU-OSFYFWSMSA-N 410.320 1.811 30 10 HDEE C#CCN(C(=O)c1nnsc1NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2123588855 AHTUNOWPJSWDRA-JTQLQIEISA-N 400.482 1.148 30 10 HDEE CC(C)(C#CC(=O)Nc1nnc(SCC(=O)O)s1)NC(=O)OC(C)(C)C 2138032557 IXOCOFJWFWOVHU-UHFFFAOYSA-N 400.482 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162918732 SSGRFVODHDOXIH-QDXKXIGTSA-N 414.509 1.594 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197507466 GGYPTAILOKGSBF-HNNXBMFYSA-N 400.541 1.822 30 10 HDEE C#CCN(CC(F)F)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197745142 RROAEDGTSFYXQL-GFCCVEGCSA-N 408.467 1.526 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C[C@@](C)(O)C(=O)C1=CCS(=O)(=O)CC1 2232544117 YMTNOIGWWLQXPR-RDTXWAMCSA-N 403.497 1.077 30 10 HDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C1CN(C(=O)OC(C)(C)C)C1 2247844195 XWQXBJZYROKTEX-LBPRGKRZSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CO1 2247927281 GLHLVYJFALLNHP-LBPRGKRZSA-N 420.275 1.057 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CC[C@@H]3O)cc2Cl)OC1(C)C 2267353979 UBURDWBJLHHTDJ-ONGXEEELSA-N 407.750 1.750 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@]34CNC[C@H]3C4)cc2Cl)OC1(C)C 2267362165 NUTPNQQIYKGYPN-PSLIRLAXSA-N 404.750 1.341 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCP(C)(C)=O)OC1(C)C 2267709547 DIQJNAPOAIZRAK-UHFFFAOYSA-N 408.291 1.484 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1F 2270522517 OWHBDDARMIZDQP-INIZCTEOSA-N 421.406 1.819 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC(F)(F)CO3)s2)OC1(C)C 2282334050 WPWDANHWZVHMFD-SNVBAGLBSA-N 409.285 1.750 30 10 HDEE COC[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1=O 2282354946 XRNOOHIYRGYZEM-NSHDSACASA-N 401.315 1.231 30 10 HDEE CCN(C[C@H](C)N)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282409201 NUSQNIRVEZZGAO-LBPRGKRZSA-N 402.753 1.997 30 10 HDEE C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CCN1C 2282409910 SPUUWUKEEZNEMT-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC([C@@H](C)O)C2)c1B1OC(C)(C)C(C)(C)O1 2282497020 KRVMIXMVYJNYKP-SNVBAGLBSA-N 401.359 1.665 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@]3(CO)CCCNC3)c2Cl)OC1(C)C 2282654328 JRHRCDKGIDBNSM-QGZVFWFLSA-N 400.737 1.545 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C[S@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282834159 QBPPDFADAKJZPO-CANCMXDXSA-N 401.359 1.340 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCC[C@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282841446 ODCCOOPMCYJRBI-STQMWFEESA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@]34COC[C@H]3C4(F)F)c2)OC1(C)C 2282860362 YXHWWVHTGINNAF-QMTHXVAHSA-N 407.269 1.360 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CC([C@@H](F)CO)C2)OC1(C)C 2282870572 USAVTNJGCDUAMC-XIVSLSHWSA-N 405.322 1.435 30 10 HDEE C[C@@H](C(=O)O)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2284404254 XKCOBWPRYSJNTL-JTQLQIEISA-N 403.693 1.733 30 10 HDEE COc1cc([N+](=O)[O-])cc(C=Nn2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1O 2322038170 DSGWHJCZBVAAKO-NSHDSACASA-N 420.451 1.796 30 10 HDEE CC1(C)CN(C(=O)OC(C)(C)C)C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365204459 YDJNLHCREMEPBY-LIRRHRJNSA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790804 VZUJBSZNBVBQSM-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367807406 SSYXISWCUUPGIX-CLCXKQKWSA-N 400.541 1.292 30 10 HDEE Cn1nc(Br)nc1[C@H](O)[C@H](N)C#Cc1ccccc1Br 2382062657 XVMKGNOHFIXQNQ-GHMZBOCLSA-N 400.074 1.753 30 10 HDEE C#CCn1/c(=N\C(=O)Cc2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21 7572053 YSMPXCOPSUZJBG-XUTLUUPISA-N 415.496 1.662 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2cc(Cl)c(OC)cc2OC)CC1 29153010 DZAPMJUWRUUMKF-UHFFFAOYSA-N 410.902 1.216 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NCc2ccco2)n[nH]1 59887810 UWPXTRUHXMNFMI-DJKKODMXSA-N 418.483 1.058 30 10 HDEE CN1/C(=C/C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)C(C)(C)c2ccccc21 197813792 FZEWYHYUAMXVGB-GIJQJNRQSA-N 421.457 1.554 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(F)c(F)c2)CC1 445642573 ONZXPOYCRJDRFS-UHFFFAOYSA-N 405.426 1.912 30 10 HDEE CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCOc2ccc(C#N)cc2)c(F)c1 462401490 QLBBMKLJBBOVER-UHFFFAOYSA-N 413.452 1.426 30 10 HDEE Cn1ccnc(N2CCN(C(=O)c3ccc(COc4ccccc4C#N)o3)CC2)c1=O 465226896 GHSYKYREZKCOIM-UHFFFAOYSA-N 419.441 1.786 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1 478251799 OJYOTRFSJPYCMV-OAHLLOKOSA-N 406.433 1.392 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2c2ncnc3sccc23)CC1 484877423 KPQCQWYQKCXTDB-MRXNPFEDSA-N 414.535 1.107 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NCCOc2ccc(C#N)cc2)C1 487473595 GZEDDTZUILNMEL-SFHVURJKSA-N 424.523 1.019 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)c1occc1COc1cccc(C#N)c1 488269571 WEURSSBTBFQRPC-KGLIPLIRSA-N 413.430 1.916 30 10 HDEE CC(=O)OCC(=O)[C@]1(O)[C@H](O)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 504624371 YGJGUDWTWGIYMD-WFEZTYOASA-N 418.461 1.997 30 10 HDEE COc1cc(C(C)=O)ccc1OC[C@H](O)CN1CCN(c2ncccc2C#N)CC1 506939071 KJXDBTKBHMJQFG-LJQANCHMSA-N 410.474 1.726 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 511081950 LRRCJXQYJFBLPO-UHFFFAOYSA-N 418.503 1.614 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1-c1ccccc1C#N 515662378 QJEGCOSGSIVYPC-UHFFFAOYSA-N 420.519 1.860 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2C(=O)O)cc1C#N 516134079 MHCVJWPFHVARCW-UHFFFAOYSA-N 402.432 1.597 30 10 HDEE N#CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 518026889 RYUFXWAFUPCRSY-KZNAEPCWSA-N 403.504 1.801 30 10 HDEE Cc1cc(NC(=O)C(=O)N(C)[C@H]2CCN(c3ccccc3F)C2=O)n(CCC#N)n1 526382947 OHMIUBSNEOMFCR-INIZCTEOSA-N 412.425 1.447 30 10 HDEE Cc1nnc(NC(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)s1 537195824 YYTSITZTKSBWDA-CQSZACIVSA-N 410.463 1.510 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)ccc1F 539861176 ZZIWYOAXLUCJTQ-XLIONFOSSA-N 403.479 1.859 30 10 HDEE CO[C@@H](C)c1noc(CN(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)n1 540551725 QKPYVQHQJBMEBA-LSDHHAIUSA-N 418.523 1.679 30 10 HDEE CC(=O)Nc1cccc(OCCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544841792 RTNYIOKOUUYHLC-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE COc1cc2c(cc1C=c1sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c1=O)OCO2 545369460 FIPUMRPLKAGISF-UHFFFAOYSA-N 424.478 1.854 30 10 HDEE Cn1nccc1C1C[C@@H]2CC[C@H](C1)N2C(=O)CNS(=O)(=O)c1cccc(C#N)c1 555100282 SXZRFTOPUAEQJU-ALOPSCKCSA-N 413.503 1.507 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc([N+](=O)[O-])cc2)n1C 564380731 SLSQCJQCOIRMSG-CYBMUJFWSA-N 405.422 1.767 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(Cc3nc(C#N)cs3)CC2)c1 579900343 AHNXHEYXLHCDTR-UHFFFAOYSA-N 412.518 1.369 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cncc(-n3ccnn3)c2)cc1 584422818 BMPHPOSLJBUKNS-QGZVFWFLSA-N 405.443 1.688 30 10 HDEE COC(=O)[C@@H](c1cccc(C#N)c1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613784810 IRRVBSUPNOSAMQ-HXUWFJFHSA-N 411.483 1.849 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669811017 JNWGLXCQIQBEIW-UHFFFAOYSA-N 423.525 1.759 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCN1CCCS1(=O)=O 673738849 NCWFLCNEDKKPBI-UHFFFAOYSA-N 404.492 1.593 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 682387424 QBXQQFSAPUKXHZ-UHFFFAOYSA-N 401.488 1.861 30 10 HDEE C#CCN(C(=O)CCn1cnc2sc(C)c(C)c2c1=O)[C@H]1CCS(=O)(=O)C1 729331302 BFHMGEFPMLJGDK-AWEZNQCLSA-N 407.517 1.114 30 10 HDEE COCCN(Cc1ccc(OCC#N)cc1)c1c(O)nc(=O)n(CC(C)C)c1N 731210644 XWGVESQLDUMUSF-UHFFFAOYSA-N 401.467 1.742 30 10 HDEE CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732464963 AONVGKQIJLOAIP-VHEBQXMUSA-N 403.458 1.425 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CCN1C1CC1 732706823 RQLGHQGNLOMFBY-FQEVSTJZSA-N 423.517 1.379 30 10 HDEE COCCN(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C(=O)OC(C)(C)C 734080638 SXCSLNZISTZFAP-UHFFFAOYSA-N 411.480 1.388 30 10 HDEE C#CCOc1ccccc1CNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 734133128 AVQSUTQEBMDGNS-QFIPXVFZSA-N 417.465 1.791 30 10 HDEE C#CCN(CCS(=O)(=O)c1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 750825728 JHFNTUFXKGHQGS-AWEZNQCLSA-N 420.350 1.345 30 10 HDEE C#CCNC(=O)c1ccc(NCc2ccccc2CS(=O)(=O)N2CCCC2)nc1 754796627 YEYSRGJSQQMMDI-UHFFFAOYSA-N 412.515 1.982 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCc1cnc(C2CC2)nc1 756087727 QHIVXRLHKJSXDH-UHFFFAOYSA-N 413.503 1.532 30 10 HDEE CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)c1ccc(C#N)c(Cl)c1 757314214 NPUTUSHDUSJSTI-IINYFYTJSA-N 415.924 1.964 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1noc(C2CC2)n1 765261327 RODVCTFQTXAQLX-CQSZACIVSA-N 417.491 1.861 30 10 HDEE C#C[C@H](C)N(C)C(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 767228730 CSXDUKTUGJUARQ-ZDUSSCGKSA-N 403.460 1.055 30 10 HDEE CCOC(=O)CN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCC1 768607591 USPOWPXGLBWCBF-UHFFFAOYSA-N 407.492 1.450 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cc(C)cc(Br)c2)c(=O)n1C 772277801 RFSXNPUEIPMXCY-UHFFFAOYSA-N 420.332 1.547 30 10 HDEE C#CCN(C(=O)NCc1cc(Br)ccc1F)[C@@H]1CCS(=O)(=O)C1 774162147 CSSPRHWOHAMUBH-CYBMUJFWSA-N 403.273 1.920 30 10 HDEE CC(C)(C)OC(=O)NCC(F)(F)CNC(=O)N1CCN(c2ncccc2C#N)CC1 777678031 ZICXCBCZSDMGOU-UHFFFAOYSA-N 424.452 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OCC(=O)NC2(C#N)CCCCC2)C1 782416302 VOSZLYMYOUBYPP-UHFFFAOYSA-N 409.483 1.898 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(=S)n(CN3CC[C@@]4(CNC(=O)C4)C3)nc12 788383853 NTBXWOODQFFEQQ-HXUWFJFHSA-N 410.503 1.536 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(c3ccccc3Br)CC2)CC1 789757784 OJGRQPMLQAYEKZ-UHFFFAOYSA-N 418.335 1.764 30 10 HDEE COC[C@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(O)c(OC)c1 789967716 HHTXTMVJMRLRKA-LBPRGKRZSA-N 402.480 1.877 30 10 HDEE COC(=O)CC1(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 792536107 UWCJZXWHWVMYTF-ZDUSSCGKSA-N 407.492 1.496 30 10 HDEE N#CCCn1ccc(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)n1 794867480 CTJVIEHWGHGWHL-UHFFFAOYSA-N 408.383 1.891 30 10 HDEE Cc1ccc(/C=C2/SC(=O)N(CCNC(=O)[C@@H](C)n3cnc(C#N)n3)C2=O)cc1 798352391 QRVBFQVIOGRUQG-GULXKOIASA-N 410.459 1.872 30 10 HDEE C[C@H](C(=O)OCC(=O)N(C)Cc1cc(Br)cs1)n1cnc(C#N)n1 798746181 PULABCGAOPYUIF-SECBINFHSA-N 412.269 1.737 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(C(=O)N2CCN(c3ccccc3C#N)CC2)=NO1 798945566 VVWGAXYFXHIPFE-MRXNPFEDSA-N 413.478 1.876 30 10 HDEE COc1ccc(CNC(=S)NN=C2C(=O)N(CCN(C)C)c3ccccc32)cc1 807950719 YZRYTTKSNPPHRE-UHFFFAOYSA-N 411.531 1.972 30 10 HDEE O=[N+]([O-])c1cc(C=NNc2nc(SCCN3CCOCC3)n[nH]2)cc([N+](=O)[O-])c1 1083851348 HIBBSXCOXKKSAD-UHFFFAOYSA-N 422.427 1.491 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCCC(=O)Nc3ccccn3)n2N)cn1 1084604684 FBXOQYCARJTNPX-UHFFFAOYSA-N 414.499 1.731 30 10 HDEE Cc1cc[n+](/C(C(=S)NCCNS(C)(=O)=O)=C(/O)c2ccc(C#N)cc2)cc1 1116614425 HPJJJTSNJNDEJD-UHFFFAOYSA-O 417.536 1.504 30 10 HDEE N#C[C@H]1C[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1124078735 OWUCNQMUMHGIAF-NXEZZACHSA-N 404.311 1.503 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N 1137537059 GJQOZSJXGORAOM-WBVHZDCISA-N 406.508 1.501 30 10 HDEE N#C[C@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1cccc(Br)c1 1137572170 ZKMALQMZZMLQMR-ZDUSSCGKSA-N 410.249 1.797 30 10 HDEE N#Cc1cc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)ccn1 1139855043 FFEANIKSWUGWPZ-UHFFFAOYSA-N 416.459 1.099 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccc(F)cc2)cc1 1140915176 CJWGHTLPGQFBOE-LJQANCHMSA-N 402.447 1.951 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c1 1143574235 ZHXOKGKTOZTDEB-IBGZPJMESA-N 420.531 1.286 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2cccs2)C1 1143720158 OAEFVTKTYPVTMP-MRXNPFEDSA-N 404.517 1.635 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1147283710 PRGIFRQRYHHFIU-LJQANCHMSA-N 413.518 1.262 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(O)nc(C3CCC3)n2)c1 1149788553 CVECRAVYGYIBHF-UHFFFAOYSA-N 400.460 1.291 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)CN(C(=O)c2ccccc2)c2ccccc2)CC1 1157010255 ZLVMQXMNLKCSKM-UHFFFAOYSA-N 418.497 1.227 30 10 HDEE Cc1cc(F)c(Br)cc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1159489329 BCOKBNBSXGLYBP-UHFFFAOYSA-N 407.199 1.728 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cnc2c(N)ncnc21 1161505605 IRKWCHSKIHUSMI-LLVKDONJSA-N 409.878 1.561 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1 1167196267 DTFVYHVQEOMBIQ-UHFFFAOYSA-N 424.482 1.530 30 10 HDEE C#CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)CC(=O)OC(C)(C)C 1171791165 BDTGKEDMGNZSHT-UHFFFAOYSA-N 418.446 1.475 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 1195260840 OZAPIEXXKBCOBC-LJQANCHMSA-N 406.504 1.271 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F 1207008454 PAXVYAAPGAESPR-SNVBAGLBSA-N 403.423 1.342 30 10 HDEE C#CC1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)CC1 1220745483 SGCPKQPFWQGTEA-UHFFFAOYSA-N 405.520 1.403 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)CC1 1252852414 YQOFHPJWOUXDEX-UHFFFAOYSA-N 406.527 1.995 30 10 HDEE CC[C@@]1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)C1 1253392074 AXTJELHXUORBLC-CNNWTFKKSA-N 406.483 1.666 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCC(F)(F)c3cc(F)cc(F)c3)C2)c(=O)nc1O 1254864343 KVOKAFCOTZMIRR-UHFFFAOYSA-N 411.315 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1286284428 CEXSPUAEGAXXPJ-MRXNPFEDSA-N 412.519 1.752 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)cc(OC)c1 1286299067 SDNMURWFCYOSIU-DZGCQCFKSA-N 406.483 1.834 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1286313698 DFPAJOFLCFKMAV-HNNXBMFYSA-N 421.571 1.679 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccco1 1286350082 URUIKTRQYYWTON-INIZCTEOSA-N 406.508 1.840 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC)C1 1286350221 XKPALLFRVZLCLV-DLBZAZTESA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)(F)F 1286368356 XWWCWXPLWSWRJC-UHFFFAOYSA-N 411.384 1.710 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1CC1(O)CCOCC1 1286466043 BSODACDBKLNONJ-UHFFFAOYSA-N 414.506 1.505 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCc2cn[nH]c2)CC1 1286492855 KAEUMVAPCDQVHC-GOSISDBHSA-N 411.510 1.451 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2nc(C)no2)CC1 1286592365 AZSDOJFJJYIMAK-OAHLLOKOSA-N 406.512 1.832 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(N)=O)cc1)C1CC1 1286732494 UHBJGRRTAHXNBZ-ZDUSSCGKSA-N 418.523 1.190 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCOCC1 1286817916 QGQSJGXKEWXZLG-OAHLLOKOSA-N 424.498 1.995 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C#N)o2)CCO1 1286943026 OJLYXBNBTLQFDV-GOSISDBHSA-N 421.461 1.503 30 10 HDEE Cc1nc(CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)[nH]c1C 1294514743 DFGHZBBTXJJNGO-OAHLLOKOSA-N 403.508 1.796 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)C[C@@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1298665900 HXTJVSKYGFKIMJ-JKSUJKDBSA-N 413.455 1.558 30 10 HDEE CNS(=O)(=O)c1cccc(Cn2c(C3CCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1299291579 COLNLCJNYBAVIR-INIZCTEOSA-N 416.507 1.231 30 10 HDEE COC(=O)N1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)CC1 1299423491 DTCNVTVDTIAXED-HIFRSBDPSA-N 403.487 1.446 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2F)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300292950 MMRROMMOVLHGGL-GJZGRUSLSA-N 405.499 1.824 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)Cc1ccccc1 1300428336 DWGMHJJJQSKJOO-UHFFFAOYSA-N 415.519 1.199 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCCS1)[C@H]1CCS(=O)(=O)C1 1300492558 NNAQEQWACFDJLX-HOTGVXAUSA-N 420.564 1.201 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN1CCCO 1300622360 WQHHRFPRNYVFIF-INIZCTEOSA-N 414.510 1.312 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1COCCO1 1300637943 BKSYJOUUDQPLSC-QRWLVFNGSA-N 417.441 1.723 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCN1CCc2sccc2C1 1300671511 KOGRRELVTJLERP-SFHVURJKSA-N 415.563 1.988 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CSCCS2)CC1 1300703434 KINAIZGPMRPDFT-GOSISDBHSA-N 414.604 1.868 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300870085 PTQVCDHGAMXZHX-QZTJIDSGSA-N 404.515 1.142 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1301278802 RPDOOUDQGDNNIB-UHFFFAOYSA-N 403.508 1.497 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1([S@@](C)=O)CCC1 1301413159 QCEOWQNIVYVZML-MUUNZHRXSA-N 409.556 1.454 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1301489988 JGQGCHZNDBGMRB-IBGZPJMESA-N 402.886 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(C)C)CC1 1301492321 DVKWSJHYVCJAQM-UHFFFAOYSA-N 403.918 1.826 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CC1=O 1301890111 HBHVQJRQBKEGQO-UHFFFAOYSA-N 421.461 1.457 30 10 HDEE CC(C)c1ccc(-n2cc(O)c(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1304273512 XYYFINUVOVZKCX-MGPUTAFESA-N 414.487 1.712 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)n(C)n1 1304730217 AYCBYNQDWFHGNA-INIZCTEOSA-N 417.539 1.401 30 10 HDEE CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1)OC 1305827856 GNGAJNAHYCRBMC-QZTJIDSGSA-N 423.521 1.852 30 10 HDEE CCCN(C)C[C@H]1CCN(c2nnc(CC)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1306788464 PUBASLHJFTWJDZ-ZBBYCGENSA-N 415.542 1.535 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)C2)C1 1313108361 RJABXKLEJSLLRL-NRFANRHFSA-N 411.462 1.630 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](C(N)=O)C2)cn1 1313843203 CLVNSDCIHIJZDD-GOSISDBHSA-N 404.478 1.783 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCC1(O)CCC1 1314701456 HMSXTULEASAJLJ-UHFFFAOYSA-N 424.505 1.417 30 10 HDEE O=C(NC1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1)Oc1ccccc1 1318916162 DXLFOGOFLWQINM-VXPUYCOJSA-N 412.446 1.683 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(C(=O)c2ccsc2C#N)CC1 1352630613 KHLCRUGAVUGDLK-UHFFFAOYSA-N 420.472 1.983 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1358889848 HNKARLIFKOKNEG-ULQDDVLXSA-N 407.584 1.759 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCC(F)F 1358941164 ADOMYVXSZPCDPK-UHFFFAOYSA-N 423.420 1.422 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(C2CC2)C1 1358968406 KSYSIFSZOJZMNL-KRWDZBQOSA-N 403.490 1.483 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CC(C)(C)NC(=O)OC(C)(C)C)CC1 1359039274 BOTFSALECDXICH-UHFFFAOYSA-N 420.558 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2Cc2ncn(C)n2)CC1 1359043579 ZPDKYGAXNZEPPF-UHFFFAOYSA-N 404.478 1.088 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1359122115 YYOGJSQPCOSPCO-JKSUJKDBSA-N 407.540 1.348 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1359133028 KGOYVWNHFSVQKK-MRXNPFEDSA-N 407.540 1.903 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359133298 OQBQVIVNWBIGKB-AEFFLSMTSA-N 402.499 1.686 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)C1 1359319710 DSJUGGVFXIXVHG-GOSISDBHSA-N 424.505 1.200 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2OCC[C@H]2C)CCO1 1359447341 UHFSHMAWLZYQMS-CDHQVMDDSA-N 424.505 1.583 30 10 HDEE C#CCN(C(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21)[C@@H]1CCS(=O)(=O)C1 1435069889 UGPLSNLBCIEPCQ-MXASKKJJSA-N 408.317 1.984 30 10 HDEE COc1cccc(Oc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc2)c1 1439798830 VFXMOGULCCLPNS-VBKZILBWSA-N 413.455 1.893 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 1450467402 FNXNSMPRQMLHOS-UHFFFAOYSA-N 406.421 1.924 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1454257161 CSRHPODKMKAHKY-UHFFFAOYSA-N 400.460 1.177 30 10 HDEE CCOC(=O)[C@]1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCOC1 1454293747 DARFJMIZNHMSAX-SFHVURJKSA-N 412.439 1.213 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccccc3)C(=O)C2)s1 1454884583 AGYDTFJOBSHWKG-UHFFFAOYSA-N 419.528 1.630 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3ncccc3C)cc2)CC1 1455116384 YLKNGMFRJJFGAD-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@@](C)(C#N)C1 1458020653 BRWCRTKJLVNRJW-ABAIWWIYSA-N 405.398 1.513 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)C1=O 1460203917 LIZVLUNXKYWHLL-AWEZNQCLSA-N 400.391 1.278 30 10 HDEE C#CCC1(N[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CCC1 1460821604 SCONIEXDKBOTEU-SFHVURJKSA-N 403.548 1.752 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CCCO2)cn1 1471520323 MHYCKUBIFUIFNN-NRFANRHFSA-N 412.469 1.968 30 10 HDEE C[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1473850428 NPMORYRCCZXSLT-SUVVTNLASA-N 401.488 1.869 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1 1474961910 HTMHTNVKXJNHPF-UHFFFAOYSA-N 418.563 1.853 30 10 HDEE CCc1nc(C)c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)o1 1498283110 BYQPPXBDGUDEQJ-JSGCOSHPSA-N 406.512 1.826 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCN(C)C 1499153695 NLKOBVCQANCHOO-UHFFFAOYSA-N 415.517 1.756 30 10 HDEE CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1500330162 VWCLJLRGFVSKOW-CVEARBPZSA-N 423.525 1.796 30 10 HDEE CCCNC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1501172718 BOROLUTZECTVAR-HNNXBMFYSA-N 403.512 1.279 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1505075095 WXCQPXWZWAVPIA-LVNJIZSUSA-N 416.526 1.610 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1507558601 HXGYNKFCQJNTFW-UHFFFAOYSA-N 419.555 1.390 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccncc2Cl)CC1 1507721275 ZQAIIVSTXSYNNH-MRXNPFEDSA-N 418.929 1.854 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H](C2CC2)N(C)C)CC1 1507721478 SSBDBJGTFHMNIL-HXUWFJFHSA-N 423.521 1.949 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1507750635 AVYHDKRSRJMUHA-MAUKXSAKSA-N 412.581 1.552 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507832489 IKARJSLANDTCGH-UHFFFAOYSA-N 404.540 1.606 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507917103 YMVUITPUDQOPDW-GJZGRUSLSA-N 423.539 1.423 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(O)c2)CCOC1 1509820919 YBICIZKUORXEBC-GHTZIAJQSA-N 413.478 1.801 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N(C)C1CC1 1510074805 BHXCKECGSQKIKQ-RDJZCZTQSA-N 423.521 1.523 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCN(C)C1 1512938062 MPUCMFKMGGSDJP-SPLOXXLWSA-N 411.510 1.393 30 10 HDEE COCC1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)CCC1 1518788209 AKSYMOUJEGZGPB-UHFFFAOYSA-N 415.519 1.868 30 10 HDEE CO[C@@H]1COCC[C@H]1CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1527211327 KTHBDTOPLDMITD-SCBBOUAQSA-N 409.508 1.880 30 10 HDEE CCCN1C[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)CC1=O 1527274817 YCBOGKVOLGEZLL-LQFHHUIYSA-N 406.508 1.696 30 10 HDEE C#CCCN(CCOC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1533858839 CTMRQDWVCUIKMI-MRXNPFEDSA-N 420.487 1.122 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1539001941 MNVSUUYSPRROTB-JKSUJKDBSA-N 418.509 1.694 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCCN1CCN(c2ccncc2)CC1 1539012222 FHSQHPSEPAFKHP-VQTJNVASSA-N 423.565 1.847 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1539220850 MEOAIUVYVPAKIS-KZNAEPCWSA-N 422.551 1.368 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1I 1539675813 XPWFYMMRBQDGBO-UHFFFAOYSA-N 422.230 1.552 30 10 HDEE C=C(Cl)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1539811152 CPPRCCPDKOKDLB-UHFFFAOYSA-N 401.902 1.804 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1539916284 JBOBQITWAMLGQK-HNNXBMFYSA-N 416.526 1.905 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1540107012 GWYNWARWGJRZBL-LZICOFPGSA-N 412.494 1.853 30 10 HDEE C=CCN(CCOC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CC1 1540200660 GLKCARFZVXVWGP-UHFFFAOYSA-N 413.526 1.616 30 10 HDEE CN1CCN(CCNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1540588483 PKNXQBPCGTXFBT-UHFFFAOYSA-N 406.328 1.121 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1540868646 MIRGTLILMUVHHF-QGZVFWFLSA-N 411.510 1.383 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540873186 QHMJTBDMNAWDCV-AWEZNQCLSA-N 410.400 1.334 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1541105345 HHKQONYGXXXZMI-QLFBSQMISA-N 420.539 1.586 30 10 HDEE Cn1c(C#N)ccc1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1544363379 SYXKWBYTQHCBMV-CQSZACIVSA-N 403.483 1.390 30 10 HDEE COc1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)c1 1555023409 BUFBSILMMNKSCE-FZKQIMNGSA-N 422.486 1.387 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1556806253 IGRYMFPKIRPZOW-DLBZAZTESA-N 420.514 1.911 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1C(=O)Cn1cc(C#N)c(O)nc1=O 1557155013 CDMFKMHNROLGOJ-YNEHKIRRSA-N 405.455 1.065 30 10 HDEE Cc1cc(NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)nn1CCC#N 1562564894 DPTXADOGILPZGI-UHFFFAOYSA-N 416.507 1.946 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2nn(C)c(C)c2CNC(=O)OC(C)(C)C)C1 1563009459 KNZUWCKKOFUYKP-OAHLLOKOSA-N 404.515 1.972 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(N)=O)C2)C1 1567686585 QBELXMLMSFTJQZ-QHKBRVLQSA-N 416.522 1.886 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[C@@]1(C#N)CC2CCC1CC2 1569696812 VAGJJXDRVPRPRF-ALLBUHFWSA-N 404.536 1.949 30 10 HDEE Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCO1 1583654693 WOXUCKPLHNZLBW-DOTOQJQBSA-N 417.491 1.262 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1[nH]c2ccccc2c1C#N 1584769095 QAYSBDPFGLUHSV-NRFANRHFSA-N 414.462 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1587662493 NSCCPMWFGZUDGG-INIZCTEOSA-N 414.535 1.678 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCNS(C)(=O)=O 1587940159 NCQRDJDYTFQVOZ-UHFFFAOYSA-N 402.307 1.871 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCC[C@@H]1CO 1587970146 QCWKWSWQCOKNDE-HXUWFJFHSA-N 417.517 1.810 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588045337 JEMOCTNDDHGVBT-QGZVFWFLSA-N 418.567 1.251 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CC1(S(C)(=O)=O)CC1 1588446130 ZGPVHPWYXGHXCT-UHFFFAOYSA-N 421.548 1.306 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC[C@@H]1COCCO1 1588595353 RAUQCBGACLNLOV-LJQANCHMSA-N 400.479 1.845 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1589060254 PLYLPLLWXWBZRI-JKSUJKDBSA-N 412.581 1.900 30 10 HDEE C=C1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCC(=O)NC)CC1 1594096756 GXUPWEAPCPZWPW-UHFFFAOYSA-N 410.526 1.745 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CC)C1 1594733492 UKXVHSDZVYWJKW-HOTGVXAUSA-N 409.556 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCOC[C@H]1C 1595496749 GANREIVMCBPSMF-CQSZACIVSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)CCCC(=O)NC 1595506495 BPMXNYHKSNVZDA-UHFFFAOYSA-N 405.890 1.258 30 10 HDEE CC(C)OCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1611016367 DEUBDJFWJFUATP-HNNXBMFYSA-N 416.482 1.940 30 10 HDEE Cc1nnc(NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c(C#N)c1C 1612884336 QSIZZBMPTYJTCW-CQSZACIVSA-N 409.512 1.801 30 10 HDEE C[C@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)[C@@H]1C 1613034495 FKKAQBOTXQAGAX-ZIAGYGMSSA-N 420.564 1.696 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3ccccc3CC#N)CC2)cc1 1616612350 CKHVQGLSCSXXPA-UHFFFAOYSA-N 406.486 1.949 30 10 HDEE Cn1cc(-c2cccc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)c2)nn1 1618331106 QUBCYEKYYFUQLO-UHFFFAOYSA-N 410.459 1.926 30 10 HDEE COc1ccc(-n2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nn2)cc1 1618732665 VXLPMONJCUWAAI-IBGZPJMESA-N 416.441 1.678 30 10 HDEE CS(=O)(=O)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC(C#N)CC1 1620168023 TZEBAMMFXSQZQI-INIZCTEOSA-N 411.528 1.321 30 10 HDEE N#Cc1ccc(Cn2c(Cc3ccccn3)nnc2N2CCC(OCC(N)=O)CC2)o1 1620350377 FFHYAFXCCSGTCC-UHFFFAOYSA-N 421.461 1.248 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1623640721 MTXQESGMCVCVGJ-MSOLQXFVSA-N 406.914 1.482 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCc3nc(C)ncc3C2)s1 1624126837 PFGDBILSWLDERU-AWEZNQCLSA-N 406.533 1.527 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1 1624734954 MVTIIIRXOJWMJF-UHFFFAOYSA-N 410.478 1.551 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(N)(=O)=O)oc3Cl)CC2)c1C#N 1625440315 BRADLCDOUHKUQI-UHFFFAOYSA-N 415.884 1.179 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1625996361 HMJOCZOCSTYWQG-UHFFFAOYSA-N 418.494 1.857 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CCc2nc(O)c3cnn(C)c3n2)C1 1627789768 BNWALACIBHASDQ-INIZCTEOSA-N 405.462 1.610 30 10 HDEE C=CCCn1cc(C(=O)N2CCC(C(=O)NCCCN3CCCCC3)CC2)nn1 1629025232 OQJUCMSOHMVWRN-UHFFFAOYSA-N 402.543 1.699 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)[C@H]2COCC23OCCO3)c1 1629675414 UMRLFVXAKLVZHV-QGZVFWFLSA-N 424.519 1.296 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1632078994 UVIISTMKKZNFLB-LSDHHAIUSA-N 414.911 1.301 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](C(=O)OC)c2ccc(O)cc2)c1 1632471651 CMGURHFQRCFKHW-SFHVURJKSA-N 401.440 1.833 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)c1 1633382618 RWWZEEQYFZIUMO-KDOFPFPSSA-N 406.435 1.337 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CC[C@@](CO)(C(F)(F)F)C3)C2=O)cc1 1634206156 HKGLCSLCWYEDCB-KBXCAEBGSA-N 424.379 1.537 30 10 HDEE C=CCOC[C@H](NC(=O)Cn1c(S)nnc1-c1ccc(OC)cc1)C(=O)OC 1635158980 PVOLSSVOSRVFKB-AWEZNQCLSA-N 406.464 1.103 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@H]3CCS(=O)(=O)C4(CCC4)C3)CC2)o1 1635511063 HUANZBWDTACQHA-HNNXBMFYSA-N 406.508 1.687 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)[C@H]2CC(c3cnn(C)c3)=NO2)C1=O 1635568228 NBIDRCITHWIISD-DNVCBOLYSA-N 404.471 1.615 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)c2ccccc2Oc2ccccc2C#N)n1 1635956277 MVXSMWHSDDAPPB-UHFFFAOYSA-N 411.443 1.943 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1636699187 DOYYFTRYKMOGTC-LSDHHAIUSA-N 408.476 1.067 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCc1ccc(CN3C(=O)CNC3=O)cc1)C2 1637854596 JWGZLAAYFIZMFN-IBGZPJMESA-N 403.442 1.577 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1639388629 GXGBDDWQRJIKRK-ZDUSSCGKSA-N 418.523 1.728 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(n3cnnc3O)CC2)cc1 1639913088 ORIKHQCJYGFOJW-UHFFFAOYSA-N 403.464 1.538 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(nnn2CCOC)C1 1641359961 ZGOCPUWDKJHZOA-ZDUSSCGKSA-N 413.906 1.845 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C[C@@H](O)CC4(O)CCOCC4)CC3)n[nH]2)cc1 1643734025 UZRFFGQEUQERJN-IBGZPJMESA-N 411.506 1.363 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 1644638660 WWISLPVBDARCES-TZMCWYRMSA-N 418.291 1.647 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCN1CCC(NC(=O)OC(C)(C)C)CC1 1651698897 DTLCFZRCJVKCOH-UHFFFAOYSA-N 403.483 1.686 30 10 HDEE CN(C)CCOc1ccccc1N1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 1652805548 ZGFNGBDYHJCLEQ-HXUWFJFHSA-N 416.566 1.820 30 10 HDEE Cc1ccccc1-n1ccnc1SCC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1653070255 WVPFRUVCUNHTKJ-HNAYVOBHSA-N 416.528 1.670 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)cc1 1658659437 ZENUHVNKDRUSIR-IRXDYDNUSA-N 407.492 1.434 30 10 HDEE N#CCCN(CCN1CCOCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1O 1661951141 FMBMRIDSOSFYMT-UHFFFAOYSA-N 407.414 1.648 30 10 HDEE N#Cc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1F 1669222893 FERLPUDRNNZNCF-UHFFFAOYSA-N 419.438 1.435 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cn1 1672353047 MPWIJOXKWCOOKG-ZIBATOQPSA-N 413.297 1.485 30 10 HDEE C#Cc1cccc(CNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 1679246413 VPYYAXJYLKAVDW-UHFFFAOYSA-N 401.492 1.054 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCn2c(CCc3ccccc3)nnc2C1 1680909562 MDYYNRCBYHNLQR-UHFFFAOYSA-N 403.508 1.189 30 10 HDEE N#Cc1ncn(CCNC(=O)NC[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)n1 1680972661 DBTCFXPGMGBBME-IBGZPJMESA-N 415.457 1.846 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)nn1 1682166906 DLFHRFDLEGSYPD-UHFFFAOYSA-N 404.496 1.201 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2[C@H]3C[C@H]2N(C(=O)OC(C)(C)C)C3)n1 1685303426 JLELEIQXFYQMRZ-CGTJXYLNSA-N 417.510 1.682 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(C)C 1689892695 LNHCHEDUNVHZEK-QGZVFWFLSA-N 411.572 1.897 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCc2ccccc21 1689965786 CXWCAZJDDRLWDD-UZLBHIALSA-N 400.504 1.084 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCOC1 1690039820 UEKKUNLKSSKDJW-HSZRJFAPSA-N 424.501 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@]1(N(C)C)CCSC1 1690104694 FTIIEOODUHERPX-NRFANRHFSA-N 414.579 1.787 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCC(=O)NCCC)CC1 1690117785 VWYHPZSZAXSIML-UHFFFAOYSA-N 410.522 1.625 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)nc2)CC1 1690129514 ZMSHFRXUILNYCO-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCN2CCOC[C@H]2C1 1690177565 ZHPGYEBJWOTFMK-GOSISDBHSA-N 415.538 1.895 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690235632 BTKFPUGHCSYDIG-TVFCKZIOSA-N 421.542 1.638 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCC2(CC2)C1 1690732311 ZCVHWKAIJKBJRO-IRXDYDNUSA-N 424.567 1.983 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692852397 IZTMIJPMOWGBTR-TXPKVOOTSA-N 407.540 1.737 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@@H]1CCCCO1 1694352311 AAYSPBHODBLJDT-IRXDYDNUSA-N 404.515 1.884 30 10 HDEE CCOCc1nnc(N2CC=C(COC)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696272780 JQBDCZOOSWXZBE-VHEBQXMUSA-N 416.482 1.124 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@@H]21 1696501328 CYDFTLDOQBXKBD-SJORKVTESA-N 400.508 1.745 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1697143852 IFOVDCLRXZOWHS-RHSMWYFYSA-N 414.514 1.405 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1C 1697682518 XYEWEGNVAZLEEL-NHLKGQDTSA-N 400.483 1.543 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1698483635 HACNIBLMNPHAES-YJBOKZPZSA-N 404.471 1.260 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC2CC2)CC1 1705510577 TXXQMBIVSSBDQP-INIZCTEOSA-N 408.572 1.224 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)N(C)C 1705550440 IVNBONWCRTWOQR-UHFFFAOYSA-N 400.508 1.398 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(O)CCOC1 1705575431 KKQGGBNZSKOOEN-KRWDZBQOSA-N 404.268 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCCOC(F)F)CC1 1705652666 IGQGKOHSJNQFFT-OAHLLOKOSA-N 411.453 1.725 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1nnn(C)n1 1705882873 NPWPJMMUJHPDOX-UHFFFAOYSA-N 405.466 1.704 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCCN2CCCC2)C1 1705915413 UIVDSFAMGHAHBK-SFHVURJKSA-N 402.543 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCSC2)C1 1705932016 ICEPYBOWYNLEJH-GOSISDBHSA-N 420.564 1.669 30 10 HDEE CCN(C)Cc1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1709924367 DFGORQYORABCFO-RBUKOAKNSA-N 423.521 1.458 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)c1 1712878463 MLRRHICLTCMGSX-RTBURBONSA-N 424.505 1.714 30 10 HDEE C=C1CCC(C(=O)N2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1719917890 PXXFMGWGTGIARX-QQXKLLMISA-N 403.523 1.794 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1722313750 CZXHIZLRNGSOGL-HNNXBMFYSA-N 421.505 1.696 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCCc2cccnc21)[C@@H]1CCS(=O)(=O)C1 1722365919 GHAPPXKLXFMLKE-ZWKOTPCHSA-N 413.547 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1OC 1722396516 ADGYQPLHMAZBTH-SFHVURJKSA-N 407.474 1.758 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnccn2)CC1 1722463026 SEEYHTIUBPULKB-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](OC)C1 1722510300 SSOOJNVMKFICTC-OWSLCNJRSA-N 424.567 1.777 30 10 HDEE C=CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1722615258 LMCQOEYGRPCHAI-QGZVFWFLSA-N 418.542 1.659 30 10 HDEE C=CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1722618673 LPMCCXYJUWYHIX-UHFFFAOYSA-N 400.508 1.718 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(OCC(N)=O)CC1 1722684759 TXYQLAJHAPDUDT-UHFFFAOYSA-N 401.467 1.619 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN([C@@H](C)c2nccs2)CC1 1722727860 LWZHUMRKTMTTMH-HNNXBMFYSA-N 424.596 1.781 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1722732188 IFGJWEHWLZYYJC-KBPBESRZSA-N 417.601 1.669 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CC1 1722738905 QIFKJMGHAXXGLJ-CQSZACIVSA-N 401.558 1.129 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CC1 1728635687 ZYKWSDRTNJZTBI-CEXWTWQISA-N 417.558 1.132 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740794384 ZETMWZFDSOLJMN-AWEZNQCLSA-N 404.540 1.893 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1740948103 VCIQTHDJQOGVTM-NRFANRHFSA-N 417.517 1.799 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)C(=O)C1 1740959470 WQGVRDZFZNXNET-UHFFFAOYSA-N 411.510 1.255 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(c2cnn(C)c2)CC1 1740961678 HOXLJQZRZDQQEE-UHFFFAOYSA-N 420.521 1.684 30 10 HDEE CCO[C@@]1(c2nnc(N(C)CCn3cccn3)n2Cc2ccc(C#N)o2)CCOC1 1746664755 KHFFKEZBGMEYGH-FQEVSTJZSA-N 411.466 1.776 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748898437 JLACXMXWKKBQKM-HXUWFJFHSA-N 411.550 1.969 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)N(C)C 1748937313 GLDZIIWMNHCUSN-UHFFFAOYSA-N 409.487 1.347 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC(=O)NCC(F)F)CC1 1748983856 GRZBARSTXLCPMT-UHFFFAOYSA-N 422.867 1.735 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCc2nnc(C)s2)CC1 1748984279 PHBTWRZVQXPJON-UHFFFAOYSA-N 408.535 1.888 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2Cc2cnn(CC)c2)CC1 1749009059 LSBPKIJWXZQKDO-UHFFFAOYSA-N 418.505 1.571 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCOCC1 1749024137 GQEXZDCEAFXALI-UHFFFAOYSA-N 420.560 1.942 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1749045250 YMNJDECGDNJYIL-LJQANCHMSA-N 412.563 1.935 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1749132133 YWWWYKFKKHTFGO-FXAWDEMLSA-N 405.543 1.753 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)CC 1749529773 KXYAUOAYZHCDNY-UHFFFAOYSA-N 423.521 1.959 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)Cc1cc(C)on1 1749660024 MJQSFGKSRCUANI-UHFFFAOYSA-N 424.461 1.951 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)CCN1CCOCC1 1749671592 FKPLOMBZDPHMHI-UHFFFAOYSA-N 416.501 1.079 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(C#N)CC1 1749677733 JCMLVULYLCBKDW-UHFFFAOYSA-N 413.507 1.312 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@@H](C)CC#N)n2Cc2ccc(C(N)=O)nc2)cs1 1751765347 BHPWWZKGDFNXJW-LBPRGKRZSA-N 410.507 1.914 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCC(C)CC1 1760250289 FCTHMUCYUOZYGR-UHFFFAOYSA-N 402.543 1.218 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(C)(C)CN(C)C)CC1 1760262082 ZDWVRPGXHKQHNY-UHFFFAOYSA-N 412.586 1.483 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@H](COC)OC)CC1 1760262271 KJRGOLQQQKGMHO-LJQANCHMSA-N 413.522 1.294 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)OC)CC1 1760266502 AVCTXUDWDCPISY-MRXNPFEDSA-N 411.506 1.954 30 10 HDEE CC(C)OCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1761311686 QECVXPVISWUMCB-OAHLLOKOSA-N 412.560 1.833 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCNC(=O)C1CC1 1761882433 ZXUTVXCARZUWLW-INIZCTEOSA-N 422.537 1.911 30 10 HDEE CCN(C)C(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1764686770 BASCBFTWKVVVSM-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE CCc1nnc(N2CC[C@@]3(CCSC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764844036 IOOUGDJVAUXCGY-BMINWGARSA-N 402.524 1.700 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(=O)NCC(F)(F)F 1764918347 YVVSKDSNXAZTSY-UHFFFAOYSA-N 422.415 1.112 30 10 HDEE CN(CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)CC(F)(F)F 1768910877 CWYJIBAYRHWYIT-MRXNPFEDSA-N 417.411 1.450 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CCc3ccccc3)n2CC(=O)N2CCOCC2)C1 1770730871 FSSYQCMQSANKHE-OAQYLSRUSA-N 412.469 1.364 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2Cc2cccc(C(N)=O)c2)CCO1 1770750942 AQZWTQQXGSLXBK-SFHVURJKSA-N 403.446 1.140 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)ON3C(=O)c4ccccc4C3=O)=NO2)C1 1772790794 HDZUPIGONRFPLE-UHFFFAOYSA-N 401.375 1.507 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@@H]3CCCCN3S(=O)(=O)c3ccccc32)CC1=O 1850617034 FWIDKJIWXVNABI-ZBFHGGJFSA-N 417.487 1.138 30 10 HDEE COc1ccccc1CN1C[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1=O 1850793997 HQWKKSTZSDRDOB-CQSZACIVSA-N 413.455 1.309 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)NCc2ccc(C#N)cc2)CC1 1851782339 BSRZZICEIQQZNZ-MSOLQXFVSA-N 412.490 1.890 30 10 HDEE CN1CCC[C@@H]1C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N 1852093225 BDUFBHSVFPNCQZ-GOSISDBHSA-N 416.489 1.579 30 10 HDEE N#Cc1ccc([C@H](CC(=O)NCCn2ncnn2)N2Cc3ccccc3C2=O)cc1 1852142044 QPXCHFSMJBXEMQ-IBGZPJMESA-N 401.430 1.448 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C#N)cc2)C(=O)N2CC=CC2)cc1 1852854770 JTUDGYVELJYSKQ-FQEVSTJZSA-N 411.483 1.855 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)n1C 1853427720 GQMCQHCXWWTJQW-UHFFFAOYSA-N 415.469 1.484 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)C2)C1 1853642908 ZKUFSSQNHKTWEN-INIZCTEOSA-N 403.479 1.257 30 10 HDEE Cc1cc2c(c(N(C)C)n1)N([C@@H]1CCN(C(=O)c3ccnc(C#N)c3)C1=O)CCC2 1853781754 MZBXPXZBYXFKQF-GOSISDBHSA-N 404.474 1.917 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCCc3ccccc3)C(=O)C2)cc1 1854023731 DVOIASBXDLKZLR-UHFFFAOYSA-N 411.483 1.941 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2snnc2CCC)C1=O 1854262075 GKKGYWSYALZOPX-HZPDHXFCSA-N 419.551 1.731 30 10 HDEE C=CCN1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 1854880602 DMKZYHLLYYFPDV-UHFFFAOYSA-N 403.504 1.756 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cnc4ccccc4n3)C(=O)C2)C1 1855008869 WOVNFXMFQKPXEW-DLBZAZTESA-N 406.490 1.681 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2onc3c2CCCC3)CCN1CC(=O)c1ccc(C#N)cc1 1855121630 AGBRMAPRSGKOIV-CQSZACIVSA-N 406.442 1.981 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCCN(C(=O)CCCn3ncccc3=O)C1=O)CC2 1855408856 VGSBRVQLUBAREV-QZTJIDSGSA-N 411.506 1.557 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCN(C(=O)c4cccc(=O)o4)C3=O)CC2)cc1 1855449430 ZKBYFMVYUQFXIL-SFHVURJKSA-N 407.426 1.796 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cncc(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1855735620 PWNWSDDOKQGMGS-GFCCVEGCSA-N 402.407 1.154 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N3CCN(C)CC34CCCC4)C2=O)CC1=O 1856016056 NDOSSXZJWLVRTM-RTBURBONSA-N 416.566 1.489 30 10 HDEE Cc1ccc(-c2ccc(=O)n([C@H](C)C(=O)N3CCN(CCC#N)[C@@H](C)C3=O)n2)cc1 1856189572 QWZGNJBZIVQMOT-DLBZAZTESA-N 407.474 1.753 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CCN1[C@H](C)CCC#N 1856293359 PSNKMMDRNDUTOS-CABCVRRESA-N 406.508 1.302 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3C(=O)CCN(CCC#N)c4ccccc43)C2)no1 1856952531 KFVHFEZFWYWRTH-UHFFFAOYSA-N 407.430 1.739 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)c4ccccn4)C3=O)CC2)c1 1857015273 MLCFGQIFUDVHAR-IBGZPJMESA-N 405.458 1.880 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccccc2C)C1)[C@H]1CCN(C)C1=O 1857067254 FBAXZFLHANCYMO-OALUTQOASA-N 413.518 1.858 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(Cc3cnccn3)CC(C)(C)C)C2=O)CC1=O 1857136730 JMZQOKZXGIMMDK-WMZOPIPTSA-N 413.522 1.487 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3ncccc3n2)C1)[C@H]1CCN(C)C1=O 1857236522 HRWKBNRMJRJXIT-BEFAXECRSA-N 407.474 1.337 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CCC(=O)N(C(=O)CCCn3ncccc3=O)C1)CC2 1857280827 DYBRZXMYVSXQAB-ZWKOTPCHSA-N 411.506 1.414 30 10 HDEE CCOCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC(CC#N)CC3)ccc21 1857462791 DXGRQHBYYJEEAG-UHFFFAOYSA-N 419.503 1.843 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)CCC(=O)O)cc1 1858659203 JSNLAAYYLWCEDY-UHFFFAOYSA-N 409.464 1.240 30 10 HDEE C=CCNC(=O)[C@](C)(CC)NC(=O)[C@@H]1CC(=O)N(c2ccccc2C(=O)OC)C1 1861609808 PTDIBYDGZWKORE-SZNDQCEHSA-N 401.463 1.413 30 10 HDEE N#Cc1ccc(NC(=O)[C@H](CO)NC(=O)CCc2nc(O)c3ccccc3n2)cc1 1867263593 IVEUBDJRRWOMTE-KRWDZBQOSA-N 405.414 1.255 30 10 HDEE N#Cc1ccccc1NC(=O)CNC(=O)c1cccc(N2CCCCS2(=O)=O)c1 1868133052 QPDATHYQCGXEPL-UHFFFAOYSA-N 412.471 1.857 30 10 HDEE C=CCn1cc(OCCC(=O)OCC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870451660 VAGSSANJZJLRRI-UHFFFAOYSA-N 406.479 1.705 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1C[C@H](C)O[C@H](C)C1 1870538043 WVRGQEMWEZCJKB-CALCHBBNSA-N 415.490 1.932 30 10 HDEE C=CCN(CC=C)c1nc(=NCCO)[nH]c(=Nc2ccc(OCC)c(OCC)c2)[nH]1 1871597446 AECWVIUCARZQRD-UHFFFAOYSA-N 414.510 1.839 30 10 HDEE N#Cc1ncccc1CS(=O)(=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882812417 BVDGJZQOCQQKJS-MRXNPFEDSA-N 417.443 1.638 30 10 HDEE C=C(Br)CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1883383068 FQEJVXPAMLGINT-GFCCVEGCSA-N 406.254 1.689 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N(C)[C@@H]2COC[C@@H]2O)[C@@H]1c1ccc(C#N)cc1 1889306405 FQUACGRHJYPZMQ-NEPXVJNWSA-N 403.504 1.170 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](CO)C1 1984283069 HYYMTPZPDMQIKQ-RYUDHWBXSA-N 413.334 1.432 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc(Br)n1C 2012957962 CIOQVJNLHAUMGX-JTQLQIEISA-N 400.277 1.153 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CC 2060602603 GDJCBPLJMHYKNM-LLVKDONJSA-N 414.304 1.983 30 10 HDEE C=CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074692817 UIYOIXPKOFVGCX-HSUZBZBUSA-N 410.492 1.584 30 10 HDEE Cn1cc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c(Br)n1 2116551081 CEPWQIKAZZMZPO-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2N(C(=O)OCc2ccccc2)C3)C1 2118172495 WBOHLGUVRKANBY-FCGDIQPGSA-N 418.519 1.856 30 10 HDEE C#CCOC[C@H]1CCCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2141610941 XGLDOGLOHOVYRK-QGZVFWFLSA-N 418.515 1.897 30 10 HDEE Cn1nc(Cn2cc(Br)cc(C(N)=NO)c2=O)cc1Br 2168198856 LAXBZUWQSMYADS-UHFFFAOYSA-N 405.050 1.250 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1Cc1nn(C)c(Cl)c1I 2174388297 NDTOOFXRIROHEE-UHFFFAOYSA-N 405.583 1.169 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](F)CN1S(=O)(=O)CC1(C#N)CCOCC1 2174782972 XAUFCFYMNBJMEP-KBPBESRZSA-N 405.492 1.574 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 2174789764 UXQFUDWYAUDKGC-OAHLLOKOSA-N 400.545 1.349 30 10 HDEE C#CCCN(CC(C)C)C(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2180085896 IDZMIILPPPDEGB-MRXNPFEDSA-N 400.541 1.919 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N(CCC#N)CC(F)(F)F)CCS(=O)(=O)C1 2181106978 BVWZFQMMJQKPCV-CQSZACIVSA-N 413.418 1.373 30 10 HDEE C#C[C@]1(C)COCCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2221410226 ARXFUYZGZFBEPQ-HXUWFJFHSA-N 404.488 1.363 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CC(N)=O)Cc1ccccc1 2247919737 SXWMISTWBAYECJ-UHFFFAOYSA-N 412.299 1.330 30 10 HDEE Cc1cc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)oc1B1OC(C)(C)C(C)(C)O1 2247919777 XEYYXFQSCXPHFD-ZDUSSCGKSA-N 424.303 1.503 30 10 HDEE C#CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CCCC1 2258177316 JSLLMTBDGOAOMW-MRXNPFEDSA-N 408.476 1.622 30 10 HDEE C=C[C@H](C)CCN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2260396537 ABIMDPNVVYCZGK-RDJZCZTQSA-N 412.508 1.928 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3C[C@@H](N)C3)cc2Cl)OC1(C)C 2267360741 WWDVMSNDZMFCBX-AOOOYVTPSA-N 406.766 1.716 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282030998 MWXBBRYXRUZMDM-LLVKDONJSA-N 402.347 1.304 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282059497 JGNMMPOZRVIJFX-LLVKDONJSA-N 401.359 1.909 30 10 HDEE C[C@@H]1CNCC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308813 WQXUXWQDPAQPOH-ZYHUDNBSSA-N 420.793 1.977 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCNC1 2282310729 XYXARYWAKKVYIE-ZDUSSCGKSA-N 400.375 1.634 30 10 HDEE CNCC[S@@](C)(=O)=NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282314300 XMZRHQICBYWONF-RUZDIDTESA-N 422.403 1.362 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CCCN3)ccc2Cl)OC1(C)C 2282491563 OAPOAWLXNYIVKM-GFCCVEGCSA-N 400.737 1.670 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCC[C@@H]3C3OCCO3)cc2)OC1(C)C 2282491821 MNTDUCXSIFRBQO-QGZVFWFLSA-N 423.340 1.653 30 10 HDEE C[C@H]1C[C@@]1(F)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494198 ZOSAFBISLPPRLH-MEDUHNTESA-N 404.338 1.952 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC4CC3(CO)C4)cc2Cl)OC1(C)C 2282830953 CGZQMHMKMQSZJA-UHFFFAOYSA-N 419.761 1.846 30 10 HDEE COC1CC(N(C)S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282842321 WNCMUEMCRAYHES-UHFFFAOYSA-N 402.347 1.381 30 10 HDEE COC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850961 VOCGOSUWWBCVNK-LLVKDONJSA-N 403.331 1.477 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCC[C@H](O)C3)c2)OC1(C)C 2282852464 PKMIBQUWDMMLMV-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284410155 RWWJNYRHSQSPOR-NSHDSACASA-N 403.331 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@@H](C)C(=O)O 2284411502 LEFCOOKQTKHKNX-SNVBAGLBSA-N 403.331 1.697 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416693 AWRQQQGZRACYKY-GWCFXTLKSA-N 403.331 1.825 30 10 HDEE CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2296245005 CYRSXYRGGPDJFF-ZWNOBZJWSA-N 402.347 1.226 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2339672184 OLMLLPMQWODKIX-GHTZIAJQSA-N 422.547 1.565 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(O)(C#CC1(S(C)(=O)=O)CC1)C2 2342048232 KIFYQIMPEDCTBE-ZIAGYGMSSA-N 401.550 1.813 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3C[C@H]3CC(=O)O)c2)OC1(C)C 2360937707 GBCYEZZLJOOBKM-QWRGUYRKSA-N 401.315 1.436 30 10 HDEE CCN[C@@H](C#CC1(OC)CCOCC1)C1(O)CC(NC(=O)OCc2ccccc2)C1 2363812175 LNMJYWGAHDMCPV-KQVJYAISSA-N 416.518 1.983 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H]2OCC[C@H]2N1C(=O)OC(C)(C)C 2365213898 YVTGVLIDTMIRSY-WCVJEAGWSA-N 400.541 1.568 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCC[C@]1(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365240469 FVWAOPFQPZLFQE-SCLBCKFNSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365254871 SADPYOJLRSYFJD-KGLIPLIRSA-N 403.497 1.682 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)CCOCCF 2365572742 FLPFOKZQPFWONC-UHFFFAOYSA-N 407.338 1.795 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2367813456 DOSFTMKMJZTTFV-HUUCEWRRSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@H]([C@@H](O)C#CC(C)(C)S(C)(=O)=O)CO2 2368965387 BYIULKJMIAWYHH-CUYVQJCZSA-N 401.525 1.494 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 63240942 SKBKIQAKZDGXOT-SFHVURJKSA-N 401.507 1.422 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 238953077 XIXOHBUWUNYUQF-ZDUSSCGKSA-N 402.432 1.352 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(F)c1 254713667 NPMISSOGPDLTON-CHWSQXEVSA-N 400.453 1.682 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 444137569 ZZVFQJGUVZYCTE-HNNXBMFYSA-N 404.902 1.847 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@]3(C(=O)OC)C[C@@H](OCC)C3(C)C)cc2C1=O 444559581 AYPJYVVXMIZUSN-ZHRRBRCNSA-N 414.458 1.945 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCSC1 460384702 FDIPUNWNXQWFOI-KGLIPLIRSA-N 401.558 1.129 30 10 HDEE CCOC1CC(CNC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)(N2CCOCC2)C1 470213795 KRFYLGBXPKXUGZ-ZWVUXNTGSA-N 409.527 1.634 30 10 HDEE CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[S@@]1=O 470599834 KPTZKQJCXLJEAL-SANMLTNESA-N 411.549 1.642 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2c(c1)N(C)CCO2 482499536 FFRDTBXHTXRXIW-ZDUSSCGKSA-N 400.460 1.692 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2OCCC)CC1 484873455 ATOTWWHFYBVQHV-UHFFFAOYSA-N 411.506 1.721 30 10 HDEE C=CCn1c([C@H]2Cc3ccccc3O2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 508472341 JTYZJDHZJJIRLL-RBUKOAKNSA-N 409.490 1.968 30 10 HDEE C=CCn1c(COc2ccccc2OC)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508735339 VWWXKZYIADEUNM-OAHLLOKOSA-N 406.508 1.923 30 10 HDEE Cn1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C(C)(C)C)n1 510844449 HFFQMPDPOONSNZ-UHFFFAOYSA-N 415.519 1.736 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)n1 513314454 BAJOUXXBUJPDQE-IEBWSBKVSA-N 405.389 1.596 30 10 HDEE Cc1nc(-c2cccnc2)nc(O)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 515916649 DPVHGIKWEBMTRH-UHFFFAOYSA-N 415.457 1.711 30 10 HDEE C=CCn1c(Cc2ccccc2F)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 520418748 GZEDNXBFFYPSHE-LJQANCHMSA-N 412.513 1.937 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cnn3cc(Br)cnc23)c1C#N 538822191 DGJNMAIMDIOXIK-UHFFFAOYSA-N 403.244 1.491 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2ccc(C3(C#N)CC3)cc2)CC1 539671391 KUWORYYILULUOB-UHFFFAOYSA-N 405.520 1.754 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N 541953198 BYWTWNWMQHWVLM-AWEZNQCLSA-N 424.548 1.847 30 10 HDEE CS(=O)(=O)Nc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 544839184 MFULSWNCECKPAM-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 549678550 GLQQGQCMABGZCA-MRXNPFEDSA-N 408.528 1.317 30 10 HDEE C[C@@H]1C[C@@H](N(C)CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCN1C 553277294 HHUUCPMUKKYWDQ-JRGCBEDISA-N 401.530 1.949 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1C 559011788 ZDBIWKDFCHPDNK-MRXNPFEDSA-N 409.512 1.725 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccoc3)n2C[C@H]2CCCCO2)CC1 559211957 OGTIBUWTKSAIDZ-GOSISDBHSA-N 414.510 1.531 30 10 HDEE C=CCn1c(CCc2ccc(OC)cc2)nnc1N1CCCN(CCOC)C(=O)C1 578284334 UWHJROBMKUICAS-UHFFFAOYSA-N 413.522 1.943 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCCc2cn(-c3ccccc3)nc2C)CC1 581659169 LIDVIOYRFQHJMJ-UHFFFAOYSA-N 424.549 1.743 30 10 HDEE Cc1nc(=NC(=O)[C@@H](C)N2C(=O)c3ccccc3C2=O)n(-c2ccc(C#N)cc2)[nH]1 610112546 PPHVSMKJSBAKPR-GFCCVEGCSA-N 400.398 1.493 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N[C@@H]3CCN(C4CCOCC4)C3=O)CC2)nc1 610475979 ISQIRJLXRODXBW-GOSISDBHSA-N 412.494 1.001 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H](O)COc2ccccc2)CC1 685544978 WSMYZAOTSPKLAM-RTBURBONSA-N 413.522 1.530 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)C1=O 725773805 NGIDWUHPLVMEIY-IIBYNOLFSA-N 422.445 1.617 30 10 HDEE Cc1cc([C@H](C#N)C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)nc(C)n1 732495520 XSHQUMXMLGPXDY-PXNSSMCTSA-N 403.442 1.745 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncc(CC)s3)CC2)cc1 742129314 ZQPGZOJRYWAQPQ-UHFFFAOYSA-N 418.544 1.579 30 10 HDEE O=C(O)COc1cccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 746371219 DFDAXKIKQWNYRN-UHFFFAOYSA-N 403.416 1.217 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccc(Cl)nc2cc1F 746402930 HVUMIPRQVJXUIU-LBPRGKRZSA-N 416.883 1.838 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C#N)ccn2)CC1 754379973 ONIPFCPRULWADP-KRWDZBQOSA-N 414.510 1.418 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1 756132156 BNKCDJLBRJPJMB-OAHLLOKOSA-N 409.471 1.670 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@@H]3CCCO3)c2=O)c1 763435961 RRNUKWLKYXFYJB-INIZCTEOSA-N 413.543 1.936 30 10 HDEE Cn1ccnc1[C@@H](O)[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 764739232 ATGQJJHEYCBBBS-RDJZCZTQSA-N 406.450 1.850 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3cccc(OC)c3)C2)c1 766635922 JPXOJORYIFDXQU-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE C[C@H](CC(=O)Nc1cccc2c1OCC[C@@H]2O)/N=C1/NS(=O)(=O)c2ccccc21 768471618 RAZDDDFKLOVDET-WBMJQRKESA-N 415.471 1.958 30 10 HDEE N#Cc1ccc([C@H](OC(=O)c2cnn3cc(Br)cnc23)C(N)=O)cc1 769898351 WDHXQXGKBAYBQS-ZDUSSCGKSA-N 400.192 1.747 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 772931328 DQLCLBMYIISRAZ-HOCLYGCPSA-N 409.508 1.748 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 780902209 AZRLZIRAQXFGGB-HXUWFJFHSA-N 413.861 1.995 30 10 HDEE Cn1c(COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nnc1C1CCC1 783157829 MATLRIOUDLRNIZ-MRXNPFEDSA-N 422.445 1.903 30 10 HDEE CN(C)C(=O)N1CCC(C(=O)[C@H](C#N)C(=O)NCc2ccc([N+](=O)[O-])cc2)CC1 787055692 BIBBUBTZBUKRPY-INIZCTEOSA-N 401.423 1.313 30 10 HDEE CCOC(=O)[C@@H]1[C@@H](NCCN/C(O)=C2\N=CC=CC2=O)CCN1C(=O)OC(C)(C)C 788642688 HHSAJHHGIQTNLZ-HJJWUPLKSA-N 422.482 1.044 30 10 HDEE C=CC[C@]1(C(=O)NCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 790545528 STNHNEFYWVZISU-GOSISDBHSA-N 401.529 1.484 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](C#N)C1 790856029 GKSLEAPFDFIPPZ-OAHLLOKOSA-N 408.455 1.972 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@@H]2CCSC2)cn1 794443181 YMBANBXBHSALTA-HUUCEWRRSA-N 424.596 1.408 30 10 HDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)N1CCN(c2ccc(F)cc2)CC1 798744057 HIAKFANKMJXFHV-KBPBESRZSA-N 400.414 1.130 30 10 HDEE C[C@H](CC(=O)N1CC=C(c2ccnn2C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 803430931 QLMCWUSLMNJUBC-CQSZACIVSA-N 413.503 1.553 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 807109688 KNNGKOLZZFSLRK-OWCLPIDISA-N 407.515 1.836 30 10 HDEE COc1ccccc1N=C1S[C@@H](CC(=O)NC2CC2)C(=O)N1Cc1cnn(C)n1 807934906 OMUVAEHMRPPMFF-INIZCTEOSA-N 414.491 1.624 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 1132668661 ZSBKFFXZZJSHLY-UHFFFAOYSA-N 413.883 1.653 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC(N4CCCOC4=O)CC3)CC2)o1 1134506944 IASQTGJDUBENHM-UHFFFAOYSA-N 401.467 1.904 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H](F)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1137592021 UYOMQOFSPBCHKV-WFASDCNBSA-N 408.478 1.850 30 10 HDEE N#CC1(CNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCC1 1142434174 VPJFICVNAZKVME-UHFFFAOYSA-N 407.492 1.716 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccccc1S(=O)(=O)C(F)(F)F 1144428715 AEXSWMHKLKXQCL-FYWRMAATSA-N 417.365 1.236 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCN2C2CCCCCC2)cc1 1152052146 DQYJFQUMZKGUHG-SFHVURJKSA-N 404.536 1.750 30 10 HDEE COc1ncc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)cc1C#N 1154576118 HXAQBHPERXMCRV-HZPDHXFCSA-N 400.435 1.882 30 10 HDEE CCc1ccc(C#CC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)cc1 1154701853 CYCGBAIWHZVSLB-UHFFFAOYSA-N 417.453 1.578 30 10 HDEE N#C[C@]1(C(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC2CCC1CC2 1154702824 WASKBJCBPAIZKQ-SEEARECTSA-N 422.473 1.684 30 10 HDEE N#CC[C@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C(F)(F)F 1156053562 UXKXQKSHQQRRFY-LBPRGKRZSA-N 411.427 1.407 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC(N2CCOCC2)C1 1164193228 HCCZTCGKBRTVQS-UHFFFAOYSA-N 424.295 1.641 30 10 HDEE CCOC(=O)CC1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)COC1 1179900195 SVIFJBVWRXYEIX-CHWWFWEZSA-N 421.494 1.612 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O)C1CCN(C)CC1 1223146543 VVDPNEPIKDLUCX-INIZCTEOSA-N 418.519 1.379 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1279747742 LSWYXIZCRHVZQL-UHFFFAOYSA-N 414.506 1.490 30 10 HDEE C#CCC1(C(=O)NC2(CCO)CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCCCC1 1285949775 ZGRXLMYQYJAMTM-LFDJNIOPSA-N 400.519 1.463 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1sc(C)nc1C 1286277820 HVMUZTASUNJNFP-DGCLKSJQSA-N 410.569 1.662 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1C(F)(F)C12CCC2 1286409493 MRSGAPQYZYEOSO-CABCVRRESA-N 408.474 1.688 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1286446387 FIBYQQLMZISULH-INIZCTEOSA-N 421.567 1.431 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1nnnn1CC1CC1 1286465701 QUSFUGIUDANMPU-MRXNPFEDSA-N 400.487 1.051 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCCCO2)CC1 1286473128 PCQBIAQMSPYZKY-KNQAVFIVSA-N 417.554 1.643 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286629741 RSTWXDQCSKNGEY-UONOGXRCSA-N 403.936 1.395 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(NC(=O)COC)CC1 1286703100 AHACPKXXQJQSLI-UHFFFAOYSA-N 404.515 1.098 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCn2nc(C)nc2C1 1286789462 SOJWNEWQQLHTOA-UHFFFAOYSA-N 410.457 1.230 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cccnn2)CC1 1286822891 IKIDICMXNJQXQP-UHFFFAOYSA-N 416.555 1.452 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O 1286962523 BCYFXJXTOWWWEN-ZDUSSCGKSA-N 405.480 1.357 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1286966541 ABWLFWFKSQQIPS-RBSFLKMASA-N 416.448 1.641 30 10 HDEE C=C[C@](C)(CC)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1290364727 YEIQDIIUNXTQBV-QCFNYSNPSA-N 400.479 1.440 30 10 HDEE CCc1nnc(N2CCO[C@@H](c3ccco3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1293157470 ZXWKAWRCIPGDRD-VRTBNJGNSA-N 412.450 1.538 30 10 HDEE Cn1nc2c(c1C(=O)NCc1ncc(-c3cccc(C#N)c3)[nH]1)CS(=O)(=O)CC2 1294849027 VIBYLYZPHIKFFQ-UHFFFAOYSA-N 410.459 1.083 30 10 HDEE COc1cc(Br)ccc1[C@@H](C)NC(=O)Cn1cc(C#N)c(O)nc1=O 1296473060 XJAOTPYQJZCVMH-SECBINFHSA-N 407.224 1.469 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 1298587460 ZQVMBFBECHGMTD-HNNXBMFYSA-N 400.456 1.171 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCNC(C)=O 1300304765 QLWAQPNBCSWQPK-HNNXBMFYSA-N 421.505 1.659 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccnc1OCC(F)F 1300321787 NRDYZRGNYQZPSS-AWEZNQCLSA-N 418.448 1.946 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(COC)c1 1300430384 LGTRDFNHDDWJTC-ZDUSSCGKSA-N 409.487 1.292 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1300458847 VKPQJVONQQEIKZ-MRXNPFEDSA-N 414.510 1.844 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1300522631 KQRJNHICBIKIJF-UHFFFAOYSA-N 414.487 1.224 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2ccc([C@H](C)O)cc2)CC1 1300696166 URVBAJNGOZMCGR-KRWDZBQOSA-N 403.490 1.592 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccn2C)CC1 1301284361 KWOWTWUXTLDURT-MRXNPFEDSA-N 402.495 1.616 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](CC(N)=O)C1 1301482674 ACOYDAOYJSDHSD-OAHLLOKOSA-N 412.494 1.348 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CCC1 1301693790 CNAJKWIMSABQMH-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)C[C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1303815169 HKAIHKGMGOXWJJ-ZIAGYGMSSA-N 422.511 1.264 30 10 HDEE CCC[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1304177945 ZXMCYDGIEFSTHO-OAHLLOKOSA-N 409.508 1.743 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@H]1C 1305157781 MJQDRPSGDGNRPI-PLGXQAJASA-N 407.478 1.959 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O)C(=O)OC 1309443135 PKIMDHFONXCELR-QGZVFWFLSA-N 424.519 1.743 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCCN(Cc4ccccc4)C3=O)CC2)cn1 1312302141 BWBKSGPVVXLPOS-NRFANRHFSA-N 418.501 1.976 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2CCOC)nn1 1312898261 KAGCPWBIOSQFJY-INIZCTEOSA-N 408.503 1.632 30 10 HDEE CCN(CCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1313799648 FHXYXRVLJKXRJX-CVEARBPZSA-N 412.560 1.930 30 10 HDEE CCO[C@]1(c2nnc(N(C)CCC(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1314088974 ACDXCDDOSXTFHQ-LJQANCHMSA-N 402.455 1.015 30 10 HDEE COC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1)OC 1315802302 GVRYEFGUXXKSBV-UZLBHIALSA-N 403.458 1.981 30 10 HDEE COCC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1315845842 AVRYAXZEZRXVIF-IAGOWNOFSA-N 405.499 1.344 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1316536367 HYRZJYHDVNKSGW-JKSUJKDBSA-N 415.498 1.638 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc([C@H]4CC(=O)N(C5CC5)C4)no3)C2=O)cc1 1321108167 DLRWBCWAAQFVCQ-BBRMVZONSA-N 420.429 1.477 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCN1C(=O)c2ccccc2C1=O 1351528690 OGAGPPQATLKLII-INIZCTEOSA-N 414.462 1.986 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 1356378371 LDPJHPOWWOEOIR-UHFFFAOYSA-N 416.459 1.014 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)NC1CC1 1358947164 SZXMSOUJULINCS-UHFFFAOYSA-N 405.462 1.722 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1OC)[C@@H]1CCS(=O)(=O)C1 1358967446 KOWZIKGCQJPYQL-QGZVFWFLSA-N 418.519 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCCOC 1358976370 BEIGYWNLPWGEDP-UHFFFAOYSA-N 404.474 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC[S@@](=O)C(C)(C)C)CC1 1359033628 JILDJDPZIRHMBK-MUUNZHRXSA-N 400.552 1.643 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](COC)OC)CC1 1359038758 JODSOPDYAMMKLT-FQEVSTJZSA-N 424.505 1.145 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cn1 1359281642 GKSKGSMOSXQACG-AWEZNQCLSA-N 409.487 1.401 30 10 HDEE C=CCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1359290094 HMRBZJOSULIZAT-CAOSSQGBSA-N 416.526 1.950 30 10 HDEE CC(C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1359973303 NTWDWZAPDCZMNI-UHFFFAOYSA-N 405.524 1.970 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1360347507 IXWKZHHREBPTNN-HXUWFJFHSA-N 414.466 1.110 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1446280801 MQBYFGWDJVGDNX-UHFFFAOYSA-N 414.510 1.905 30 10 HDEE CN(C)S(=O)(=O)CC(=O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456587779 KVGDWTIVJBZMPG-BQBZGAKWSA-N 418.306 1.507 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1458006664 SZASICOCKSFTKI-GJZGRUSLSA-N 416.544 1.361 30 10 HDEE COC(=O)COc1ccc(CN(C)CC#CCN2C(=O)c3ccccc3C2=O)cc1 1459979212 FZPYDXPHTOAGIU-UHFFFAOYSA-N 406.438 1.970 30 10 HDEE C#CCN(CC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OCC)C1CSC1 1460403699 FNRLTHZEDADWLY-UHFFFAOYSA-N 423.560 1.924 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NCCS(=O)(=O)c2ccc(C#N)cc2)C1 1460779384 SEZGXGYLWFLWAO-FQEVSTJZSA-N 423.535 1.684 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](c1cccc(F)c1)N(C)C)c1cc[nH]n1 1463762591 DNXWIGNVTDVASN-MRXNPFEDSA-N 405.430 1.252 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(CC(=O)N(CC)CC)CC2)c1 1463810380 RTSOYPMVLYUBFF-UHFFFAOYSA-N 419.547 1.110 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](CC(=O)OCC)c2ccncc2)c1 1463898547 AYFCSRGSZCLRFX-SFHVURJKSA-N 417.487 1.970 30 10 HDEE CC(=O)N1CCc2sc(S(=O)(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc2C1 1464024924 HUVYDRFLMZTXRU-KRWDZBQOSA-N 419.528 1.878 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N1CCN(CCO)CC1 1464043292 XKJFDAKGPLNRLT-IBGZPJMESA-N 414.506 1.529 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)C2(CC(=O)N3CCOCC3)CCCC2)c1 1464314764 ZWXOVDXRWPZAGB-UHFFFAOYSA-N 411.502 1.874 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CCOC(C)(C)C)C(=O)OCC)cc1 1466492144 VMGNUFKSJSWKMD-QGZVFWFLSA-N 424.519 1.465 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C[C@H](O)C[C@H]4C3)C2)C1 1469665456 XPAGHHAOQVKZIP-DSESUSJESA-N 404.511 1.051 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1cccc(F)c1 1470149077 ZPVQATBMTFSJDU-LIRRHRJNSA-N 417.462 1.964 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)ccc1F 1470313193 XCBQWWWNVZHRNF-ZDUSSCGKSA-N 411.499 1.667 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1O)C(=O)OC 1470336581 XXSSCWPXMYFOST-CVEARBPZSA-N 404.463 1.899 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NOc2cccc(C#N)c2)C1=O 1471086051 RLKAEEBSWXTRQE-NRFANRHFSA-N 408.414 1.753 30 10 HDEE CC[C@H]1C(=O)NCCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1472015562 ZTENAJTXGVKCJF-HNNXBMFYSA-N 405.296 1.884 30 10 HDEE CCN(OC)C(=O)CNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1478871872 IEFLVEQYMVVGTC-UHFFFAOYSA-N 402.411 1.048 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@@H]3CCCc4c3ccc(=O)n4C)CC2)c1C#N 1478907310 ZFERLJIQXDTYQX-MRXNPFEDSA-N 412.519 1.931 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1504966247 RNZMAFHGKGTISP-LIRRHRJNSA-N 420.445 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCCN1S(C)(=O)=O 1507524710 WCFGZWMEGBAYDD-UKRRQHHQSA-N 422.942 1.875 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507832006 JQMQQUJDQOPZRG-SFHVURJKSA-N 404.559 1.739 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnnn1C 1507999377 KCQFUNHHSYPVFQ-GOSISDBHSA-N 417.477 1.470 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1508072499 FZTUUNZMQTZJLI-SFHVURJKSA-N 403.575 1.308 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1508080813 RFBZHECYQNYLEQ-UHFFFAOYSA-N 410.438 1.525 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2CCNS(C)(=O)=O)C1 1508118743 XBDCXLFTLZDAIQ-QGZVFWFLSA-N 421.523 1.284 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)CN2CCOCC2)C1 1508125647 DSMGBRVCLXBPJQ-CEXWTWQISA-N 405.543 1.879 30 10 HDEE COC(=O)c1nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)cs1 1516307610 IQIUKRWBEIMWOF-XSFVSMFZSA-N 422.488 1.995 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N(C)C[C@@H](C)C#N)n1Cc1nnn(C)n1 1518004500 HAEFTBOAVGWKDL-NSHDSACASA-N 401.862 1.775 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1519163433 AUNXQXSORCSKHN-HNNXBMFYSA-N 422.511 1.200 30 10 HDEE Cn1ncc(C2CC2)c1CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1529196328 DJFKTCQWJXNKCD-KRWDZBQOSA-N 406.446 1.691 30 10 HDEE COc1ccc(CC(=O)N2CC[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1529652648 XWWKLIWQPFDIKK-LJQANCHMSA-N 407.492 1.021 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1=O 1538029815 RNMJFKFDCQLXNC-MRXNPFEDSA-N 424.461 1.658 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1539116087 KYFOSFZWHCWDQW-QGZVFWFLSA-N 416.551 1.828 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1539363057 JZFGXWJSJDSQCD-MRXNPFEDSA-N 423.443 1.848 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN2CCCC[C@H]2C)CC1 1539427344 BMEAPKOJVMQHAI-LJQANCHMSA-N 415.586 1.436 30 10 HDEE COc1cc(C#N)ccc1C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 1539696737 BYEDTEOHVCJDML-UHFFFAOYSA-N 416.455 1.945 30 10 HDEE C=C(C)COCCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1539735049 DVVLNJFJDUPMRA-UHFFFAOYSA-N 411.915 1.821 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1539751353 LOCBYRQCGPZAOY-LAUBAEHRSA-N 416.526 1.860 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1539980972 BUBBRSMSCIITHX-CYBMUJFWSA-N 406.512 1.518 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H]1C(C)C 1540866359 KVKOFZFQBFFIQR-GOSISDBHSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@H]2CCCN2C[C@H]1C 1540872220 HJAYCPSYEKIANI-IEBWSBKVSA-N 424.549 1.853 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCOCC2(C)C)C1 1540891175 QKJHIPVZNJHKGV-IAGOWNOFSA-N 418.542 1.121 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCOC[C@@H]3c3ncon3)C2)C1 1545795541 JKGPJGMMIAXSDH-LNWMTBOKSA-N 417.466 1.756 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1c(NCc2ccccc2)c(O)nc(=O)n1CCOC 1546284296 QGCWZBUBNACPHF-AWEZNQCLSA-N 400.435 1.184 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CCCC3)n2CCOCCCO)CCN1C1CC1 1555995655 RKGNAPSFPNCAOZ-LJQANCHMSA-N 402.543 1.586 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1 1556737422 DPEJWEQPLNQPIN-HUUCEWRRSA-N 403.545 1.728 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Cn2nc(Br)c(Br)n2)C1 1558328929 IBVSBTJTMLKDGF-VIFPVBQESA-N 405.094 1.017 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1)C1CCOCC1 1565104992 BAXIWYUOFNJSPH-OAQYLSRUSA-N 424.545 1.721 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN([C@H](C(=O)OC)c2ccc(Cl)cc2)CC1 1565156947 VHAVUPUAVHYBCM-ROUUACIJSA-N 407.898 1.920 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CCOC(C)C)CC2)s1 1566222064 ZALUQNKTKJBLKZ-UHFFFAOYSA-N 415.581 1.324 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1 1583267321 FWAVNIOKQXRUDT-MRXNPFEDSA-N 402.447 1.810 30 10 HDEE N#Cc1cn(CC(=O)NC2(c3ccc(Br)cc3)CCC2)c(=O)nc1O 1583975722 CTYBATCUTRPYOR-UHFFFAOYSA-N 403.236 1.779 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1584129176 VPDBTZIAOOONEZ-UHFFFAOYSA-N 406.486 1.609 30 10 HDEE C#CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CSC1 1584180328 LOSXGTSXNHKTPJ-UHFFFAOYSA-N 405.545 1.863 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCc2nccnc2C1 1585792983 FIVKPNFWQOSZAP-INIZCTEOSA-N 413.503 1.659 30 10 HDEE CS(=O)(=O)NC[C@H]1COCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1587457278 WPTIUSIEWRGIGI-INIZCTEOSA-N 416.459 1.136 30 10 HDEE C#CCN(c1nnc(-c2ccc3c(c2)OCCO3)n1CCC)[C@@H]1CCS(=O)(=O)C1 1588044980 DSCKMIWHFBHYLW-MRXNPFEDSA-N 416.503 1.753 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn2ccccc12 1588079245 UDYWTUVYSLBMKI-UHFFFAOYSA-N 410.441 1.694 30 10 HDEE CNC(=O)COc1cccc(CC(=O)Nc2c(C)c(C#N)nn2-c2cccnc2)c1 1588079991 FZOREDWYWXRGNQ-UHFFFAOYSA-N 404.430 1.753 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1588128843 UICOUJORYGYCMS-LJQANCHMSA-N 420.517 1.291 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(C)C)CC1 1588884751 MLOCNQMMIKUZRA-UHFFFAOYSA-N 423.521 1.937 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC(C)C)CC1 1594229731 TXHZHDIEKZVZMM-UHFFFAOYSA-N 405.528 1.465 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](C)C1 1594733583 VNDVUEBBZAZREI-CABCVRRESA-N 415.585 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)OC[C@@H]1C 1595754587 OVIDWSBVHLWORJ-AWEZNQCLSA-N 413.544 1.021 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCc2n[nH]c(C)n2)C1 1596429442 DSHYSCJDPLLXHC-GOSISDBHSA-N 419.493 1.591 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1596609574 AHWKUHXSEUYPHX-OAHLLOKOSA-N 415.490 1.279 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(CN=[S@](C)(=O)N(C)C)CC1 1606868150 KXLDXLYOHAKWLU-NDEPHWFRSA-N 408.524 1.759 30 10 HDEE CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1610016535 DROLRZJZINBIDC-MSOLQXFVSA-N 423.521 1.684 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1611332212 NDTWHTIFNKPQIL-LDJQZATESA-N 424.505 1.855 30 10 HDEE CNC(=O)N1CCN(c2nnc(Cc3ccsc3)n2Cc2ccc(C#N)o2)CC1 1618834834 CKHWSSKGKYGRAC-UHFFFAOYSA-N 411.491 1.905 30 10 HDEE COCC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619796188 FPSHNMWBHDONSX-ZDBRSUKYSA-N 416.526 1.965 30 10 HDEE CS(=O)(=O)CCOCCn1c(Cc2cccnc2)nnc1N1CCC(C#N)CC1 1620167681 LDMWHHGURNAOJW-UHFFFAOYSA-N 418.523 1.065 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2CCn3ncc(I)c3C2)cc1 1620610628 YVVJVYROZFPIPU-CQSZACIVSA-N 407.215 1.402 30 10 HDEE N#C[C@]12CN(CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1620635778 ZAPSHCNNVZDUJA-QNZKBGKNSA-N 407.344 1.971 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1 1621795026 OFNUSTCUIAYHBY-QGZVFWFLSA-N 407.488 1.666 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)C1 1623122849 HDXUERPXOVZVNG-KRWDZBQOSA-N 404.536 1.963 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H](COC)[C@H]2CCCO2)c(C#N)cn1CCOC 1623540677 GXSADDLZVOPCHX-LSDHHAIUSA-N 408.455 1.498 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2ncccc2C#N)CC1 1623669920 XHLZYPOGEMWLJQ-KKSFZXQISA-N 415.494 1.362 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1625284365 IKTCBUYLQPUNDM-FPOVZHCZSA-N 416.474 1.538 30 10 HDEE Cc1cc(NC(=O)Cn2cc(C#N)c(O)nc2=O)n(-c2ccccc2C(F)(F)F)n1 1626855312 HHBDPTSNWGKCCE-UHFFFAOYSA-N 418.335 1.972 30 10 HDEE N#Cc1c(NC(=O)CCNC(=O)c2ccc(Br)cc2)nc2n1CCOC2 1627624198 DKYIHDVHGLHZTQ-UHFFFAOYSA-N 418.251 1.806 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](CO)(c3ccccc3)C2)s1 1628497939 LDZCXHBTJPDZSV-HXUWFJFHSA-N 420.556 1.918 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCCC#C[Si](C)(C)C)cc1 1632537160 FAWLZMWZWBRGCO-UHFFFAOYSA-N 409.584 1.653 30 10 HDEE N#C[C@@]1(C(=O)N2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)CCCOC1 1632642639 PLRSPCPZDNJEEY-REWPJTCUSA-N 410.518 1.642 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCO[C@@H](CN2CCOCC2)C1)c1ccccc1 1634426970 CILVFUWCXDBQQL-FQEVSTJZSA-N 414.506 1.273 30 10 HDEE CN1CCN(C2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)CC1 1635901528 VHAVZCFWPUXTJP-UHFFFAOYSA-N 418.563 1.616 30 10 HDEE C=CCNC(=O)CNC(=O)[C@@H]1Cc2cc(OC)c(OC)cc2N1C(=O)OC(C)(C)C 1637324575 DJUMOPIQFJDFGX-HNNXBMFYSA-N 419.478 1.788 30 10 HDEE CCN(OC)C(=O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1643578386 IFFOJXNDGJSNAF-GOSISDBHSA-N 416.478 1.919 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCO[C@@](C)(C(F)(F)F)C1 1643896960 PRQMEUKQELHUOO-XHDPSFHLSA-N 405.398 1.405 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(OC)cc3)CCCC2)CC1 1644281613 IGOIDSHTCQTXQY-UHFFFAOYSA-N 405.520 1.119 30 10 HDEE N#CCc1cccc(NC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)n1 1644420333 MTPFGSTWWZDNGR-QGZVFWFLSA-N 404.430 1.636 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC[C@@H](C#N)C3)CS(=O)(=O)[C@H]2C1 1645042596 GFAFFGRQFVNFMM-JJXSEGSLSA-N 411.524 1.419 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCOc3ccccc3[C@H]2CO)c1 1645279204 LEOSDNRGCPRIMH-QGZVFWFLSA-N 404.419 1.691 30 10 HDEE COC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3oc(C)nc3C#N)CC1)CC2 1655073651 BRUJDYHKGBENDH-UHFFFAOYSA-N 409.446 1.353 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@@H]1C(=O)NCC12CCOCC2 1655709847 YAKIEXKURFEIRY-RDTXWAMCSA-N 402.520 1.762 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1Br 1663316198 OIHYRJOXPVIGED-JTQLQIEISA-N 412.327 1.458 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1666005333 LAXGBIDARUJREA-GOSISDBHSA-N 419.547 1.794 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)CC1 1666160252 QQPCAGYNWSLJOT-UHFFFAOYSA-N 407.536 1.574 30 10 HDEE Cc1cc(C)cc(-n2nc(NC(=O)NCCn3cc(C#N)c(O)nc3=O)cc2C)c1 1675803490 DUUWJFBIQLJBQL-UHFFFAOYSA-N 407.434 1.753 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 1676274939 LOTYEQIABCXKBY-LLVKDONJSA-N 409.464 1.555 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1681378825 NAMWODDCMZSGFD-CYBMUJFWSA-N 424.295 1.621 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1)C1CCOCC1 1684188635 UEVMUHLJKNWSGD-LJQANCHMSA-N 415.490 1.600 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CCSC3(CC(C(=O)OC)C3)C2)CC1 1685662840 DBGWZEMUVLYYES-NGEICVOHSA-N 407.536 1.375 30 10 HDEE C#CC1(NC(=O)NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 1687572416 MSQAXJIJIDHQLG-HNNXBMFYSA-N 413.540 1.656 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCN1CCCC[C@@H]1C 1689966140 LJZLSVYRYWDETB-ZWKOTPCHSA-N 407.584 1.904 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1689973619 JODZNWIHLBZHMD-UHFFFAOYSA-N 419.551 1.773 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1690058840 CJJWQEHIUFKZSZ-CYBMUJFWSA-N 410.569 1.609 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1690110709 WUXUFXZIHQWMKZ-QZTJIDSGSA-N 402.543 1.233 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](OC)C2CC2)CC1 1690148344 DFQAVXURSSNHQF-HXUWFJFHSA-N 422.533 1.655 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690304837 PEGQUYUJAAZFDM-HNNXBMFYSA-N 423.539 1.909 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1690430920 XEPBITHWZHXKFL-JKSUJKDBSA-N 415.542 1.872 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(N(C)C)CCCC1)C1CC1 1690536539 BDGPRSKLVDJWEL-OAHLLOKOSA-N 410.588 1.918 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1690619838 FWQPKIFXMGCIIM-LSDHHAIUSA-N 419.482 1.185 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(OC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1690677124 NWLMOHMOPAJDQO-NRFANRHFSA-N 421.542 1.626 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCOCC2(CCC2)C1 1690677782 AEYACLBGTJLHCI-WMZOPIPTSA-N 419.526 1.311 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCOCC2)C1 1690710864 XUEMFAAPVKPJNS-FQEVSTJZSA-N 412.538 1.768 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1690748849 JECBBDSTLVZXGI-UHFFFAOYSA-N 416.551 1.478 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@@H](C#N)C1 1690749723 NOPWBUKCDYTTIS-AWEZNQCLSA-N 418.548 1.918 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1690770872 VBEPYPLGGQUGJV-UHFFFAOYSA-N 408.466 1.639 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccncc3)n2CCCNS(C)(=O)=O)C1 1692847250 XIWYMUUJBTTXLF-LJQANCHMSA-N 417.539 1.333 30 10 HDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)cnn1C 1692943365 BLIRSVLPIPVPEJ-UHFFFAOYSA-N 420.477 1.097 30 10 HDEE C[C@@H]1CCCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)C1 1693662816 BHQXNIAPSWNZBK-NCOADZHNSA-N 401.515 1.078 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1705598673 OPVOAWXBSDSLHD-VMSUTVGLSA-N 405.524 1.040 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1705816335 BSAAJCMUZQTFRT-MRXNPFEDSA-N 421.571 1.753 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705819275 IEGAYGRKFGDFGZ-OAGGEKHMSA-N 407.540 1.109 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCSC2)C1 1705932017 ICEPYBOWYNLEJH-SFHVURJKSA-N 420.564 1.669 30 10 HDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1708817974 FGAICUQCDLGSDC-QGZVFWFLSA-N 417.535 1.991 30 10 HDEE CCCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cn1 1709860630 HKBKZHMOHWOERE-MRXNPFEDSA-N 413.482 1.377 30 10 HDEE COCC1(Cn2c(C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOCC1 1712198146 YEAJIYLZWQQBDO-UHFFFAOYSA-N 411.510 1.623 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccncc2)n1C[C@]1(C)COCCO1 1712459588 OEZNMGQLGIBWAL-HXUWFJFHSA-N 400.483 1.436 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@H](COC)OC 1722284816 POWRIUAMZJDBGI-RHSMWYFYSA-N 419.913 1.981 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[S@@](=O)CC 1722347136 ZTLVLQPCHAMNBM-NDEPHWFRSA-N 406.508 1.809 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1conc1COC)[C@H]1CCS(=O)(=O)C1 1722357869 AQRXLCMSZMUTOO-HNNXBMFYSA-N 421.523 1.385 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2ccccc2OC)CC1 1722438227 ORAHMUJCEMZILR-UHFFFAOYSA-N 403.490 1.742 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccco2)CC1 1722449752 YIPXSSFHPFEJBK-UHFFFAOYSA-N 404.474 1.871 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1722464759 QZSJMHSPMFFFTD-HUUCEWRRSA-N 400.570 1.755 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722533833 CDXKIMBONOCZGA-KRWDZBQOSA-N 423.521 1.776 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)S(=O)(=O)CC)CC1 1722578095 YWRBJCDKXCMJDP-INIZCTEOSA-N 424.571 1.303 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722581756 XSHFFIXPEXCQBU-OAHLLOKOSA-N 401.515 1.330 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@H]1CC 1722688479 CTNIKOLXGVIZJU-QZTJIDSGSA-N 410.522 1.837 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc2c(c1)COC2 1722862309 BICRKHAOLIGMQB-KBPBESRZSA-N 418.523 1.563 30 10 HDEE CCN(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1728279474 CBHKWVPQCQGFIG-VXPUYCOJSA-N 410.478 1.860 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1730494919 RAAUVWJZSZBHHF-GDBMZVCRSA-N 402.430 1.649 30 10 HDEE CS(=O)(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](F)(C#N)C1 1731003216 CQCDWAODHYUFBT-SFHVURJKSA-N 402.455 1.693 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](C)N(C)C 1740538286 LKWBKFFRCUUNQV-LSDHHAIUSA-N 417.583 1.955 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740625226 DVTLSRZXIMDNKA-RCCFBDPRSA-N 422.551 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@@H](C(C)C)N1CCOCC1 1740684197 YFIDERCLJXFUIP-IBGZPJMESA-N 415.542 1.121 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](C)(C(=O)NC)C1 1740719172 AOFIACSBXGIKBW-HXUWFJFHSA-N 415.567 1.469 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740787009 WOXCOCVQKFWWEO-INIZCTEOSA-N 419.530 1.003 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@](C)(O)c2ccco2)CC1 1740825376 NLXDJNZRAYUKNO-DNVCBOLYSA-N 406.508 1.837 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2nccs2)C1 1740966256 QRNBUHBWNHGNEO-KGLIPLIRSA-N 404.496 1.466 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1741804100 XCYOBTOEXMCMBT-HZSPNIEDSA-N 405.503 1.881 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCNC(=O)C2CCC2)n1 1742332660 FHSVAZVGJCBRNA-KRWDZBQOSA-N 409.494 1.684 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)C1 1748316075 IFAQLQXRMWMCIA-BCOMRZATSA-N 413.503 1.727 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1748650842 GABFPOKLJGXJMS-DZGCQCFKSA-N 401.492 1.085 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1748709997 CWRAUXZVDZRWGP-AWEZNQCLSA-N 419.507 1.433 30 10 HDEE C#CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1748715247 OOXIMEKAUYEQCF-UHFFFAOYSA-N 414.554 1.912 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1748745118 GNKGQSORTLAVCO-UHFFFAOYSA-N 404.540 1.557 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1748818449 ZUQSVOOZNGSSSB-VQHPVUNQSA-N 410.515 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-n2cccn2)cc1 1748852012 SUNBXGQLPYUWLL-UHFFFAOYSA-N 413.485 1.707 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCN1CCCCCC1=O 1748883169 VGWVRYKRTITKCE-UHFFFAOYSA-N 407.522 1.934 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2 1748906742 XXTRWKVXYZZOJB-CYBMUJFWSA-N 405.480 1.125 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1 1748969259 RSLLOBJRMYFNDT-UHFFFAOYSA-N 405.462 1.597 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@](C)(O)c2ccccc2)CC1 1748994978 UZITWDXGLLLJMF-HSZRJFAPSA-N 422.533 1.063 30 10 HDEE C#CCSCCn1c(-c2ccccc2C)nnc1N1CCN(S(C)(=O)=O)CC1 1749029005 IRTBWZJFYYGRKO-UHFFFAOYSA-N 419.576 1.702 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749670332 PXJBWJWSZLHALI-IRXDYDNUSA-N 416.526 1.413 30 10 HDEE C=CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749763805 JKKSMQOPCVLXDJ-OXJNMPFZSA-N 423.583 1.940 30 10 HDEE CSCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1750318505 OVVALCWHDGDYGZ-CZUORRHYSA-N 401.533 1.765 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1750378249 FSVQISKUXVSIHH-QAPCUYQASA-N 404.471 1.141 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1760162516 VHTSBFTVCGDHBH-MOPGFXCFSA-N 416.570 1.970 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1C[C@H](C(CC)CC)N1CCOCC1 1760205918 NACLGAWPTFZLJO-LEWJYISDSA-N 413.566 1.992 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CC)CCOCC2)CC1 1760251816 IDSNDIHEERPYOS-UHFFFAOYSA-N 402.543 1.378 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccccc2CN2CCC[C@H]2CO)CC1 1760261589 NZCSHGVYHYIMGX-QFIPXVFZSA-N 422.577 1.601 30 10 HDEE C=C1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCNS(C)(=O)=O)CC1 1760383977 FZYXVQZWRXMZNJ-UHFFFAOYSA-N 421.523 1.668 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1760442376 ONZDJXSBMACVOF-UHFFFAOYSA-N 408.510 1.762 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCS(=O)(=O)C1 1760502231 SFYKKXIPMGPSOR-KRWDZBQOSA-N 415.519 1.890 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCOC)C1 1760534098 RNBNUVNCMKAPGU-OXQOHEQNSA-N 407.515 1.083 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccncc2)C1 1760543684 RHULDUGDFWPPIU-ZWKOTPCHSA-N 417.535 1.599 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1760693851 MYRGHSKAWUYZLZ-WBVHZDCISA-N 407.482 1.792 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760821166 GSDRUOLRQKUSSN-ROUUACIJSA-N 424.505 1.747 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1764539040 FMYHWEHYOFRUJG-LJQANCHMSA-N 423.521 1.838 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1)OC 1769237672 GVOKWGOHONMFHN-AYOQOUSVSA-N 415.494 1.718 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1CCc2nccn2C1 1770049825 GKDKIBURNNGDQL-ZACQAIPSSA-N 415.498 1.190 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1770051771 PSSIWLXRBIGQDQ-ILOCAZANSA-N 407.515 1.934 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCCS2(=O)=O)CC1 1770746212 AVFDLCVAHHYIJO-INIZCTEOSA-N 420.539 1.108 30 10 HDEE COCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1771053610 DLXJZYYAOGZTBV-QGZVFWFLSA-N 401.540 1.847 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)c(C#N)cc1C#N 1851054684 LWRNDQXGSLJXOK-AWEZNQCLSA-N 411.368 1.521 30 10 HDEE N#Cc1cnn2cc(CCCOC(=O)[C@@H]3CCn4cnnc4C3)c(C(F)(F)F)nc12 1851308895 DFYWITNMSMNSAW-LLVKDONJSA-N 419.367 1.950 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)c(Cl)c1 1851348798 KJJLCSDBFWKZBM-QGZVFWFLSA-N 412.833 1.731 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2ccccc2-n2cncn2)CC1 1852534696 BNPCQZJRDLPVQF-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE C[C@H]1Oc2ccc(C(=O)OCCN3CCN(c4ccc(C#N)cn4)CC3)cc2NC1=O 1853219266 SVJVWSYBZZYGOK-OAHLLOKOSA-N 421.457 1.652 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CCCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853666699 IGSLJVMKNUJCDJ-QZTJIDSGSA-N 420.554 1.707 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1853676378 JMELUMVXDSYLCZ-MSOLQXFVSA-N 416.522 1.015 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccc(OC)cc2)C1=O 1853683742 ZDPUPFPJZZQJES-WOJBJXKFSA-N 413.518 1.864 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)C[C@H]4CCOC4)C3=O)CC2)CC1 1853690931 LDMZCRWKLLREQQ-MJGOQNOKSA-N 416.522 1.015 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1=O 1853827391 BMGUQTDLIFRTFH-IAGOWNOFSA-N 415.490 1.554 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)[C@H]1C 1854310526 BGPCHHBJUMUUCT-MJGOQNOKSA-N 419.547 1.865 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)Cc3ccccc3F)CC2)OC1=O 1854655716 UTRZWKAWOQOPSH-MRXNPFEDSA-N 409.439 1.629 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(Cl)n2)CCN1S(=O)(=O)c1ccccc1C#N 1855722559 ATWVCOREMYSACC-LBPRGKRZSA-N 418.862 1.668 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4C[C@H]5CC[C@H]4C5)ccc32)ccn1 1855820564 DBBQXJZKXJWCOK-GUYCJALGSA-N 422.466 1.856 30 10 HDEE COc1ccc(OCC(=O)N2CCN(CCC#N)C3(CCCC3)C2=O)c(OC)n1 1856626985 ZLVMLFBGSXVFCD-UHFFFAOYSA-N 402.451 1.375 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3cccc(C)c3)C2)CC1=O 1856820203 VSJNZUFAQINDKG-QGZVFWFLSA-N 405.520 1.395 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccc(C#N)cc2)C1)[C@H]1CCN(C)C1=O 1857053806 VTJJMVVBJAUDDZ-PMACEKPBSA-N 408.502 1.585 30 10 HDEE Cc1c(Cl)cncc1C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857064018 OFSXLIHDRLLFLS-AWEZNQCLSA-N 424.910 1.598 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@H]1CCN(C)C1=O 1857227804 GTHMZGYUTXOPJO-HOCLYGCPSA-N 404.898 1.371 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2OC)C(C)(C)C1=O 1857493820 FDXRZFQNXYKMEI-UHFFFAOYSA-N 410.492 1.808 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C[C@@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)s1 1857502248 WAIBFDGERCSONW-CABCVRRESA-N 413.503 1.868 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)c(O)c1 1864010037 NPZYSNOJRZKILS-SFHVURJKSA-N 419.441 1.984 30 10 HDEE CCOC(=O)CCN(C)C(=O)CNC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868784446 XBPQOHJBJWSVRH-INIZCTEOSA-N 420.535 1.553 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(CC)CC1 1870537782 OTRQGUVXEGPXMQ-UHFFFAOYSA-N 414.506 1.460 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(Cn3nc(-c4cccnc4)ccc3=O)C2)cc1 1890153393 PWXZARBDMZHCBV-UHFFFAOYSA-N 407.455 1.498 30 10 HDEE CN(C)CC#C[C@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 1891449330 LIKGIMWJAVBPBL-KRWDZBQOSA-N 409.577 1.705 30 10 HDEE CN(CC(=O)ON1C(=O)c2ccccc2C1=O)S(=O)(=O)C=Cc1ccccc1 2059546171 SVTJLMGPFJDWRL-UHFFFAOYSA-N 400.412 1.673 30 10 HDEE CC1=CC(=O)C[C@](C)(COC(=O)C[C@](C)(O)CC(=O)O)[C@@]1(O)/C=C/C(C)=C\C(=O)O 2085725267 HBBVFDNZOWNNLQ-MDOWMAKQSA-N 424.446 1.389 30 10 HDEE CC(C)(C)OC(=O)NC1CC(O)(CNS(=O)(=O)c2cc(C#N)ccc2Cl)C1 2163554438 BDHQCGAFKMCDBK-UHFFFAOYSA-N 415.899 1.908 30 10 HDEE C#CCN(CC(C)(C)C)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2180103689 HHZUPBJINIIHCP-HNNXBMFYSA-N 400.541 1.919 30 10 HDEE CC1(C)OB(c2cnc(N3CCN4CCOC[C@@H]4C3)c(Br)c2)OC1(C)C 2185881067 HPHBMVDMJZZXRU-AWEZNQCLSA-N 424.148 1.664 30 10 HDEE CC(C)(C)OC(=O)NCCCONC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2247858928 RIAHNTUMFAUNQW-UHFFFAOYSA-N 421.303 1.957 30 10 HDEE CN1CCO[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281967475 YCMHEQYFMBNCFK-LLVKDONJSA-N 400.737 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)S(C)(=O)=O 2282317123 MTTIPMFZGWBQLN-SNVBAGLBSA-N 423.387 1.067 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCCC[C@H]2O)OC1(C)C 2282338385 QXRNPCZYNHQTGE-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC[C@@H]1CCNC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339412 YDZXWZNYWXOKGS-OCCSQVGLSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCC[C@@H](O)C3)s2)OC1(C)C 2282341574 UQGOUUCFRFRTCR-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCCC[C@@H]3N)c2)OC1(C)C 2282341910 ZMHJYFRRMZZYRS-KBPBESRZSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@]3(=O)CC[C@@H](CN)C3)s2)OC1(C)C 2282352436 OOSIXNPRMLAWIH-JPQMIFPKSA-N 420.387 1.183 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@@H](O)C2)OC1(C)C 2282496236 XOHJFRWLHQJFKZ-VXGBXAGGSA-N 401.721 1.831 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCC[S@](C)=O 2282826188 PTDQCWINNUIVHA-VWLOTQADSA-N 401.359 1.341 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](C)C[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282838829 VBNNHHMYDWACCJ-YDBLSZJJSA-N 421.415 1.743 30 10 HDEE CC[C@@H](CCCO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840347 MUCDFJSTDIHCKV-LBPRGKRZSA-N 404.363 1.413 30 10 HDEE COC[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845353 QWBJWCDBFSEVNT-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE CN1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1(C)C 2282849116 WYVUUAALNJUQCY-LBPRGKRZSA-N 400.375 1.808 30 10 HDEE CCN1CC[C@@H](N(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282850980 VVCBKEFCWZBXIL-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CCC[C@H]3CN)ccc2Cl)OC1(C)C 2282867070 SVDGOEVUELPPPB-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE CC(C)S(=O)(=O)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2284400889 ZABXODRYHYBBPI-UHFFFAOYSA-N 407.294 1.141 30 10 HDEE C=C(CS(=O)(=O)NCCCS(=O)(=O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2286423478 NGYBRDRIDMRLJV-UHFFFAOYSA-N 421.268 1.418 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccccc1C(=O)O 2330742726 GCASRZAGHAFUAS-UHFFFAOYSA-N 418.479 1.113 30 10 HDEE C[C@H](O)CCCN(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2361275965 NRFDJZAMNMGDNI-ZDUSSCGKSA-N 403.375 1.970 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCOCCN1C(=O)OC(C)(C)C 2365202212 NEFSLPHPZBIACK-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365203242 HWIPKAMWOQUZPC-OAGGEKHMSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2365210102 JEIALVBSSBUVLV-ZRGWGRIASA-N 402.557 1.552 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](COC)NC(=O)OC(C)(C)C 2367793135 UHXTZTQHJGAMSK-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2367824607 VQSXFIQKSPIMFS-CRAIPNDOSA-N 402.557 1.553 30 10 HDEE C=CC1(N[C@](C)(C(=O)O)[C@@H]2CCCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377234174 PQTMNSYUIFCVOM-DYVFJYSZSA-N 402.513 1.420 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2cccnc2)n1)Nc1ccc2c(c1)C(=O)NC2=O 21038686 PSUKCJFQUQGAJH-DNTJNYDQSA-N 422.430 1.260 30 10 HDEE C=CCNC(=O)CN1CC2=C(C1=O)[C@@H](c1ccccc1Cl)NC(=O)N2CC=C 34791893 GOSYTPDVTJMHCC-GOSISDBHSA-N 400.866 1.991 30 10 HDEE COc1ccc(/C=N/Nc2nc(SCCCO)n[nH]2)cc1OCn1cccn1 59880144 YQWUVSFJDVEKLN-WOJGMQOQSA-N 403.468 1.967 30 10 HDEE COC(=O)OC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OS(=O)(=O)c1ccc(C)cc1 106382169 GWIBCLYQHGMNAQ-KBUPBQIOSA-N 402.421 1.728 30 10 HDEE C#CCN(Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 111047688 CYCMPPZMZSNGGC-LBPRGKRZSA-N 404.391 1.827 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1C 219945232 XIWXZHJSAOZEPO-AEFFLSMTSA-N 405.458 1.998 30 10 HDEE Cc1ccc(Br)cc1NC(=O)CCNC(=O)[C@H](C)n1cnc(C#N)n1 409625352 YNGGGSHSEQGZOE-NSHDSACASA-N 405.256 1.927 30 10 HDEE CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2ccc(C(C)(C)C)s2)c1=O 431223080 IGONSYGVOJMNAR-UHFFFAOYSA-N 419.572 1.554 30 10 HDEE C[C@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CN1C1CC1 441291577 GRSYCUMZNYXVRS-RDJZCZTQSA-N 417.535 1.199 30 10 HDEE Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)cc1C 442984069 RKIVPBBNTQZMRQ-ZZVGESKWSA-N 419.547 1.874 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)[C@H]1CC(=O)N(C)[C@H]1c1cccnc1 461301409 PCRVKNUFKMBTDU-LPHOPBHVSA-N 401.430 2.001 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 472464003 HMXIUWSBCBJFBB-SFHVURJKSA-N 412.494 1.722 30 10 HDEE CN1CCOc2ccc(NC(=O)C(=O)N3CCN(c4cccc(F)c4C#N)CC3)cc21 473229598 FSIGLIONRJEPLI-UHFFFAOYSA-N 423.448 1.813 30 10 HDEE Cc1ccc2ncc(C#N)c(N3CCN(S(=O)(=O)N4CCOCC4)CC3)c2c1 487909751 BLSYERRSQYVRHP-UHFFFAOYSA-N 401.492 1.114 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 490225221 QLDJOVUKMUURLW-AZUAARDMSA-N 421.492 1.339 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3c[nH]c4ccccc34)n2CC=C)CC1 508933174 WXDYIIPINRMCEF-UHFFFAOYSA-N 419.533 1.960 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1-c1ccccc1C#N 523578939 NCBMCKXSONIZDB-UHFFFAOYSA-N 417.494 1.622 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)cc2C1=O 524417641 JSJJNLJRBLJXRU-GOSISDBHSA-N 412.490 1.141 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(C#N)n2)CC1 549279890 MNGIKIDUPFSFQI-UHFFFAOYSA-N 406.494 1.683 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 554302011 VKZYXJNPWRDOBM-INIZCTEOSA-N 423.514 1.343 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@H](C(=O)O)C3)CC2)ccc1C#N 559595488 XPFIZKOCMTZDDZ-INIZCTEOSA-N 420.491 1.090 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCc4ccccc43)n2C[C@H]2CCOC2)CCO1 575106975 KQFOMPVHBFHQFG-MJGOQNOKSA-N 408.506 1.996 30 10 HDEE CSc1nc(O)c(C(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)cc1C#N 577044033 BYLRVFFSOGOJTM-LBPRGKRZSA-N 420.516 1.868 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 588292447 XLQFEJQBXXMWMQ-CPUCHLNUSA-N 404.492 1.895 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC1 604662180 UEBXOOMANZJZCN-QGZVFWFLSA-N 409.481 1.197 30 10 HDEE Cc1ccc(Cn2c(=O)c3c(nc(N/N=C/c4ccncc4)n3C)n(C)c2=O)cc1 606629768 FMRGYOSNSUPCOV-FSJBWODESA-N 403.446 1.631 30 10 HDEE COCCN(CCC#N)C(=O)C(=O)Nc1ccc(Br)c(C(=O)OC)c1 615256253 ZQTNMRGBXBASBT-UHFFFAOYSA-N 412.240 1.563 30 10 HDEE CCOc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1F 729975853 YEMGRLAVHYDTAS-UHFFFAOYSA-N 405.451 1.969 30 10 HDEE C=C(COC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C(=O)OCC 734027425 NUNOIODUPDGRJK-UHFFFAOYSA-N 400.453 1.355 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O 734292353 KIWHVMXYZTULHF-AEGPPILISA-N 403.460 1.235 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1C#N 742142904 BWJYBETVIROHKH-UHFFFAOYSA-N 409.430 1.678 30 10 HDEE C[C@@]1(c2ccccc2F)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 744130487 MTWQXSWBDYJVSU-NRFANRHFSA-N 408.437 1.639 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)ccn2)CC1 754379978 ONIPFCPRULWADP-QGZVFWFLSA-N 414.510 1.418 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(C(=O)C2CCCCC2)C1 760743532 RSWXINIZHFFSMA-OAHLLOKOSA-N 418.519 1.023 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccnc(CNC(=O)OC(C)(C)C)c2)CC1 767009372 WZYOLEDGVBCYAR-UHFFFAOYSA-N 417.510 1.166 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cnn2cc(Br)cnc12 770093649 WCYGCKQRWGGFCC-UHFFFAOYSA-N 420.248 1.623 30 10 HDEE C[C@H](C#N)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 770940498 BUGICDWUJSRUHV-LLVKDONJSA-N 417.281 1.786 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 772923888 KMEMPYAEXGDJTP-LZWOXQAQSA-N 422.507 1.208 30 10 HDEE C=CCN(CC(F)(F)F)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 773291006 ITKVZXVKJGJQHF-UHFFFAOYSA-N 420.500 1.969 30 10 HDEE C#CCN(C(=O)NCC1(CN2CCOCC2)CCCCC1)[C@H]1CCS(=O)(=O)C1 774244556 KIQWSITYYXREKZ-SFHVURJKSA-N 411.568 1.101 30 10 HDEE CC1(C#N)CCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 780332152 ABTZAALCKMNDNY-UHFFFAOYSA-N 403.508 1.721 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cnn(-c4cccc(Cl)c4)n3)CC2)c1C#N 788261936 MDPSAWXSZBMXEG-UHFFFAOYSA-N 410.869 1.797 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC#Cc1ccccc1Cl 789120941 VKVNWHYEFHCJRU-LJQANCHMSA-N 404.850 1.850 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)C2CCN(C(=O)c3cccnc3)CC2)n1 790105476 KXSFLNKXDFLMKF-UHFFFAOYSA-N 409.490 1.439 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2cnc(C)c(C#N)c2)c1 793383392 CCXPIXLXOSCLNK-UHFFFAOYSA-N 424.482 1.297 30 10 HDEE C[C@@H]1C[C@@]2(CCO1)CN(CN1CC(=O)N(Cc3ccc(C#N)cc3)C1=O)C[C@@H](C)O2 797415828 GZNRMEIXALXATL-YVHKJVDXSA-N 412.490 1.938 30 10 HDEE COCCN(CCC#N)S(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F 798228117 HCEYJQSESFOCCO-UHFFFAOYSA-N 400.400 1.531 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCOC)CC1 802509220 HUTBSRDDCCKJOE-UHFFFAOYSA-N 412.538 1.578 30 10 HDEE C#CCSCCNC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 810428537 FJOFORDADJFJPX-BUAHTRFOSA-N 420.534 1.948 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3COCCO3)n2CCc2ccccc2)CC1 812057401 VAYGRWQPIOIJEV-FQEVSTJZSA-N 423.517 1.575 30 10 HDEE CN1CC[C@@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849500547 YIXPGOPHDNEFSN-IEBWSBKVSA-N 410.497 1.815 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)c1OC 917797754 JBKWNIHITLHXPM-UHFFFAOYSA-N 414.446 1.815 30 10 HDEE Cc1cccc(CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)c1 1084297367 RGQILVCMGUVMBX-UHFFFAOYSA-N 400.512 1.844 30 10 HDEE CCc1nnc(NC(=O)CSc2nnc(NN=Cc3cccc(O)c3)n2N)s1 1084561642 NUKUNZVQULOJHL-UHFFFAOYSA-N 419.496 1.288 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C[C@H]1C 1125700418 DTODUTQWIJUWGL-LXGCGDOSSA-N 408.458 1.722 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)CC1 1132356866 WHSHNHYUPLBMTL-UHFFFAOYSA-N 405.520 1.742 30 10 HDEE C#CCN(CC(=O)N[C@@H](C(=O)OC)c1ccc2c(c1)CCO2)C(=O)OC(C)(C)C 1138682099 WWVNNKCEBGOMJY-GOSISDBHSA-N 402.447 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](n2nnc(C(=O)N[C@H](C#N)CO)c2C(F)F)C1 1140739332 HTUHDPCKFMKYSN-NXEZZACHSA-N 400.386 1.012 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1S(=O)(=O)NCC#N 1140977058 LUGXNIDQJHTVEM-ZWKOTPCHSA-N 414.487 1.842 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c(N)c1 1143167510 MOGMFVFQNQRVNY-UHFFFAOYSA-N 402.451 1.645 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1 1144280480 AKPADJXXJQOKLY-UHFFFAOYSA-N 412.515 1.861 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)NCc2cncc(C#N)c2)cc1Br 1156108222 TZXSOKGRRBTMSB-UHFFFAOYSA-N 423.292 1.896 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 1163990150 OGDOHDXHFOAUAA-UHFFFAOYSA-N 407.499 1.886 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 1166601102 ONZXERCLMLSXGN-VAIHUBBGSA-N 410.474 1.015 30 10 HDEE COC(=O)CCN1CCC[C@@H](N2CCN(c3ccc(C#N)cc3Cl)CC2)C1=O 1169811597 PHXGIVDOIJBBOB-GOSISDBHSA-N 404.898 1.888 30 10 HDEE COC(=O)c1cccc2c1OCCN(CCS(=O)(=O)c1ccc(C#N)cn1)C2 1176655562 HRPBNSJMVNJHJW-UHFFFAOYSA-N 401.444 1.408 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1C 1184272083 ADXKQNMOINEPHH-UHFFFAOYSA-N 409.442 1.937 30 10 HDEE C#CCN(CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)Cc1ccc(F)cc1 1190707583 KIMTYFDZSQKLFU-UHFFFAOYSA-N 417.506 1.657 30 10 HDEE C#CCC1(NCC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CCOCC1 1197911982 RXWJSRLVTGAPFU-NRFANRHFSA-N 412.490 1.123 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)cc1 1199058431 BQMHZHWDIFDLAM-OAQYLSRUSA-N 411.462 1.707 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F 1211887247 VJURWEVBMPLSHI-NEPJUHHUSA-N 408.245 1.997 30 10 HDEE CCS(=O)(=O)N1CCC(CNC(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1225979494 OYFQBNQMRIIBFN-LJQANCHMSA-N 420.535 1.703 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cn2ncc3cccnc32)c1 1264633843 DOFBKIPCYMUMLL-HAVVHWLPSA-N 412.475 1.883 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CCCc1nc(C)no1 1282637100 MJHQYJFQZMOFFP-WDHIOAMHSA-N 402.495 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1286270768 NSDDYDOJOGOHEB-INIZCTEOSA-N 404.478 1.601 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1OCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1286391756 FYVSAERJAJGHCN-ZACQAIPSSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286398801 PSCWJGCULXBEHX-IAGOWNOFSA-N 422.551 1.716 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1286408314 DZUXJYACXUJJDD-SFHVURJKSA-N 406.490 1.216 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286629739 RSTWXDQCSKNGEY-KBPBESRZSA-N 403.936 1.395 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1)C(C)C 1286750840 HZOJEZPAAHVVQF-IBGZPJMESA-N 424.553 1.712 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1286794013 SPIAEKULYBSKOM-GOSISDBHSA-N 422.493 1.649 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(F)cc2)n1CCNS(C)(=O)=O 1288530279 DPMUOVFIXDPWTH-ZDUSSCGKSA-N 410.475 1.284 30 10 HDEE N#CCSCC(=O)N1C[C@@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)[C@H](c2ccccc2)C1 1289429386 FLJNGGYUHLWMSJ-BHQCHZOVSA-N 411.527 1.777 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1291596136 MRNGTDZELDDXFS-MJGOQNOKSA-N 423.535 1.231 30 10 HDEE C=CC(=O)N(C)CC(=O)N1CCN([C@H](C#N)c2ccc(Br)cc2)CC1 1293138491 WQYZSMFSICGSEI-MRXNPFEDSA-N 405.296 1.802 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3NC(=O)CC34CCCCC4)C2=O)cc1 1297561880 JKRAWACLQZJONG-MRXNPFEDSA-N 409.446 1.730 30 10 HDEE CCOCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1297589782 GIHVTLPZHMYVQK-UHFFFAOYSA-N 424.509 1.030 30 10 HDEE COC1(C)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1299786634 SLBXWQHGISHMCM-OAQYLSRUSA-N 413.478 1.759 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1300478834 CTCIVAQPRWZTDX-MRXNPFEDSA-N 402.520 1.956 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1300495708 JQTNNPASNRLLIQ-SJORKVTESA-N 422.551 1.104 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cccn1 1300573282 FOMPHVGQKNISMZ-GOSISDBHSA-N 407.478 1.893 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1300603992 ZREQWPQZAWYNMH-FQEVSTJZSA-N 401.515 1.785 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1300621890 QPHMUVLZNVVBQS-QGZVFWFLSA-N 408.462 1.694 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1300631550 SIBFOLSXNBJMCH-KRWDZBQOSA-N 421.498 1.258 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccoc1C 1300733574 LDUDILHGSMTODG-CYBMUJFWSA-N 411.553 1.793 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2nccs2)C1 1300733615 YDJLAAQRTSYBQX-AWEZNQCLSA-N 420.564 1.817 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCN(C)C1 1300807717 NMYWBQGYMFHHLZ-UXHICEINSA-N 400.552 1.693 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1300813183 DIPFHQVRCLHELJ-JLTOFOAXSA-N 412.519 1.540 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1300972313 LDWZZQXIOWEFQO-UHFFFAOYSA-N 423.514 1.829 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC2(CCC2)C[C@@H]1CC 1301479424 ZSOVWVJDKBNKKI-GJZGRUSLSA-N 424.571 1.350 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)C1 1301554548 IDNPUGWUKLDYOQ-LSDHHAIUSA-N 400.483 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOC(C)(C)C 1301585213 IQELDNMAKPXRBL-AWEZNQCLSA-N 413.544 1.081 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)C1 1301594591 HHXODFGWWSFVDW-UHFFFAOYSA-N 408.572 1.640 30 10 HDEE CC(=O)Nc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(CCC#N)CC2CC2)cn1 1301777693 ALNCKRXXKHHWPV-UHFFFAOYSA-N 424.509 1.948 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1302429298 NPIGPWJZOFLGSU-GJZGRUSLSA-N 411.499 1.374 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CCOc3ccccc3)n2CCCn2cnnn2)C1 1302982443 KHCQWSBOYSRTTH-IBGZPJMESA-N 411.445 1.418 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)C1 1303933608 MFMWJGFZELOTKP-QRWLVFNGSA-N 411.466 1.269 30 10 HDEE Cc1ccc2c(c1)C(=O)N(CC(=O)N(O)CCCN1C(=O)c3ccccc3C1=O)C2=O 1306892374 DLTNYRBWEFZWPZ-UHFFFAOYSA-N 421.409 1.495 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)Cn2cc(C#N)c(I)n2)cc1 1307362103 ROSIJAJIFJHVTM-UHFFFAOYSA-N 423.214 1.700 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1307969759 SYBLOYTYSFANOZ-DLBZAZTESA-N 418.567 1.145 30 10 HDEE CCOC(=O)c1cc2n(n1)C[C@@H](C)N(CC#CCN1C(=O)c3ccccc3C1=O)C2 1308087758 DNFDOLRMVWXMFR-OAHLLOKOSA-N 406.442 1.564 30 10 HDEE C#CCC1(NS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)CCOCC1 1309871555 HSLARUNBHVWRQS-UHFFFAOYSA-N 415.556 1.725 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1 1309889561 YBXYEYVICPOPGZ-UHFFFAOYSA-N 415.462 1.914 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)cc1 1310196522 RZYZAKZUTAQYQA-UHFFFAOYSA-N 421.461 1.896 30 10 HDEE C=C[C@@H](COC)NC(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1312558527 IQYUUFVSGUSROH-GJZGRUSLSA-N 411.499 1.819 30 10 HDEE CON(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1316312545 APPUPPZAONFBRU-FMQUCBEESA-N 421.461 1.874 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCOC2=O)CCO1 1316541354 XHPDSVZEQDWYRI-OAHLLOKOSA-N 402.480 1.501 30 10 HDEE C=CCC(F)(F)C(=O)N(Cc1ccccc1)c1c(O)nc(=O)n(CCOC)c1N 1351547843 RUSOYDOMSVGDCK-UHFFFAOYSA-N 408.405 1.922 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(c2ncccn2)CC1 1358918652 BYLGWCAUZRVVTJ-UHFFFAOYSA-N 417.477 1.455 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1Cc1cnn(C)c1 1358970991 CSXIQJVUEXNTOA-UHFFFAOYSA-N 412.295 1.901 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](OC)C1CC1 1358976731 OOBCAUFVBGDBCV-LJQANCHMSA-N 416.485 1.690 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1C(C)C 1358994562 QCSIOFFSGCIRNJ-RCCFBDPRSA-N 419.551 1.291 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 1359037148 XHWSIGFWKMLSQQ-UHFFFAOYSA-N 414.941 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCCCC2)CC1 1359040198 LJELFYWRULQRSL-UHFFFAOYSA-N 414.554 1.962 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359143429 ZWGDIUNZTCOPMS-CQSZACIVSA-N 421.951 1.226 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCS(=O)(=O)CC2CC2)CC1 1359181267 MORREIMARBQHAM-UHFFFAOYSA-N 421.567 1.628 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1359290473 CLINHXNCGDQZIQ-DNVCBOLYSA-N 404.471 1.774 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 1359293632 VUCIKCOIUQJXOT-UHFFFAOYSA-N 402.886 1.391 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCCN(C(=O)C(C)C)CC1 1359297255 KLARFDMRRLCHAM-UHFFFAOYSA-N 413.526 1.281 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCSCC2)C1 1359324486 LYNKORCFDWPAAP-KRWDZBQOSA-N 420.583 1.231 30 10 HDEE N#C[C@@]1(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)CCCOC1 1436147523 WKNGMTVZONVOKS-UTKZUKDTSA-N 403.454 1.280 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C(=O)OC 1438403932 WHWWVUKJXHZADM-IRXDYDNUSA-N 418.490 1.719 30 10 HDEE CNC(=O)[C@]1(C)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1448616044 XSGFESLAMQTAJM-FAALFERTSA-N 404.511 1.758 30 10 HDEE CN(CCN(C)C(=O)CNc1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 1450604137 PUBVQQIYFVCORM-UHFFFAOYSA-N 419.485 1.657 30 10 HDEE COCC#CC(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1451441269 CRQBKNJSHPOVGW-IAGOWNOFSA-N 420.510 1.030 30 10 HDEE CC1(C)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@H](CO)O1 1451816026 WAUJTTVCIJVYEE-OAHLLOKOSA-N 423.535 1.284 30 10 HDEE Cc1ccc(C(=O)NCCOC(F)(F)C(F)(F)F)cc1S(=O)(=O)NCC#N 1455454144 OJATYFMDWSEXDT-UHFFFAOYSA-N 415.340 1.698 30 10 HDEE CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN[C@@H](C)CC#N)c(O)nc1=O 1460313597 DTQPOHDEDWQENB-HNNXBMFYSA-N 412.494 1.756 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CC[C@@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1460696825 URHSISXIGOLJSJ-XUZZJYLKSA-N 421.497 1.801 30 10 HDEE Cc1nn2cccnc2c1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1463247348 DSVPYHZPOODGMJ-ZDUSSCGKSA-N 406.468 1.171 30 10 HDEE COC(=O)CCCCCCNC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1464137272 SXGLYTUFVZKMHF-AWEZNQCLSA-N 409.508 1.743 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)c1 1464272575 XTLLARYYLDPORW-SFHVURJKSA-N 415.446 1.826 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)/C=C2/SCC(=O)N2C)n1 1464712187 NURIZDKWFVKCSS-AWNIVKPZSA-N 408.534 1.785 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)C1(C)C 1469007278 CPEKJYIMVSLPTF-ZDUSSCGKSA-N 405.455 1.115 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1cccnc1 1471082183 JEYZYDKFHKAMMZ-BBWFWOEESA-N 419.478 1.470 30 10 HDEE CNC(=O)NC[C@H]1COCCN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1471410553 RSBUHMSFVHGAJO-GJZGRUSLSA-N 411.503 1.120 30 10 HDEE COC(=O)[C@H]1c2ccccc2OCCN1CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1473855906 UITSOVKGVLROEQ-WIYYLYMNSA-N 414.506 1.287 30 10 HDEE C#C[C@@H](NC(=O)NCc1nn(C)cc1I)C1CCOCC1 1478628946 SAYAEQBXNMWCTK-GFCCVEGCSA-N 402.236 1.252 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1478641761 MSPWINJNLJFRKE-HXUWFJFHSA-N 416.566 1.984 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](CC(N)=O)C1 1494654100 DCQAMWFGSWVHDX-LBUQITIBSA-N 424.505 1.448 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1nncn1C 1504886295 CAXUCZYJCCSYJX-UHFFFAOYSA-N 419.493 1.893 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C[C@@H](C)O1 1505286670 SOYAZYXFHWLSTD-ZMPRRUGASA-N 424.505 1.821 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1507592765 YHJVZULTTWYFOE-SJORKVTESA-N 400.527 1.775 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1507628241 VZKBTDJJNHNAGO-APWZRJJASA-N 410.540 1.357 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1507631206 MTCYMEVCTFWWFQ-IAGOWNOFSA-N 412.519 1.718 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1507635525 WVDDVUAVMVTPGR-OKZBNKHCSA-N 408.568 1.776 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(O)cc2)CC1 1507732402 GYELOJRGNVWRPN-ICSRJNTNSA-N 411.506 1.511 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CC(=O)NCC(F)(F)F 1507774246 XUFXPVNIRKQEIK-GOSISDBHSA-N 406.412 1.935 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1507830198 XDWSAFDEJRFUJP-XJKSGUPXSA-N 418.523 1.650 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1507843064 HDHOUSDEUQSNLD-IAGOWNOFSA-N 415.498 1.133 30 10 HDEE C=CCn1c(N2CCN3C(=O)N(CC(C)C)C[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1508066528 AWWPXDUOULZNFI-DYESRHJHSA-N 418.542 1.698 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@H]2CC2(F)F)CC1 1508081392 YTZMRXKZXAQVBB-CQSZACIVSA-N 403.437 1.909 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H](OCC(C)C)C1 1508141619 WCFMZBQIJSFCRH-INIZCTEOSA-N 420.539 1.587 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1517708702 BPRRBMRJOZXRTH-UHFFFAOYSA-N 406.450 1.487 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C1CC1)[C@@H](C)C#N 1527917949 BVQUEWUKTQVVPQ-HNNXBMFYSA-N 420.535 1.538 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1535768705 JDQKUUAEOQCHSJ-UHFFFAOYSA-N 407.492 1.699 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1536901157 SOEIIMWOEMVRNM-XKQJLSEDSA-N 409.464 1.455 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1538993334 JDSPZDVBXJSVGI-UONOGXRCSA-N 402.476 1.566 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539125101 WGUITOOABDWXSM-SFHVURJKSA-N 419.526 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)COCCO1 1539299364 IRVFIPPHJIOKSQ-LEWJYISDSA-N 402.495 1.199 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCO[C@H](C)C1 1539423144 SSPRGOURCPFJCE-XWSJACJDSA-N 406.527 1.903 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)OC)CC1 1539612667 PIOGIJUJWWCQRU-SJORKVTESA-N 419.526 1.787 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@H]1C(=C)C 1540201219 QSQBHZFMCYCWNI-KSZLIROESA-N 424.567 1.800 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1540478285 PWELMFIWTFKCRQ-LJQANCHMSA-N 400.523 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC(N(CC)CC)CC1 1540861653 APHNSRBKVIVXRI-UHFFFAOYSA-N 405.547 1.029 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(OC[C@@H]2CCCCO2)CC1 1540898122 AFLPZJYPBAZKQI-SFHVURJKSA-N 412.556 1.742 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1540898244 DQLQUNWHBQUUNC-UHFFFAOYSA-N 418.498 1.525 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1540909425 HFWWIFWOSODQHU-PBHICJAKSA-N 417.601 1.813 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CC[C@H](CO)O1 1541109666 JFBKYCKOZCJUOE-HYVNUMGLSA-N 413.478 1.852 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CC=CCC1 1541816101 WDETUVLHUVSPBU-KRWDZBQOSA-N 423.521 1.691 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1541992658 PBHKBUHCJNZRKR-MRXNPFEDSA-N 416.526 1.584 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)c1 1544812234 OUYSBLDVFORUGQ-WMLDXEAASA-N 403.479 1.587 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)c2cccc(O)c2)CC1 1545716305 MTASSOVUEAVMOB-SFHVURJKSA-N 415.490 1.983 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC(=O)N1 1554149082 CUDBUBJONLEHFL-QGZVFWFLSA-N 407.478 1.301 30 10 HDEE COCCOCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1555720041 WMRZGGBADZSCLI-JKSUJKDBSA-N 419.457 1.949 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1555721181 TWEZJVVVFBHPHW-UHFFFAOYSA-N 412.494 1.572 30 10 HDEE C=C(CC)CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1557022655 UGECYXMGKWRCIX-UHFFFAOYSA-N 423.535 1.391 30 10 HDEE C=CCn1cc(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)nn1 1557103754 LKPJHEMVNZQAQN-UHFFFAOYSA-N 405.524 1.746 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CN(CCNC(=O)OC(C)(C)C)Cc1ccccc1 1557364740 XMYYQCDIDRQCJE-IBGZPJMESA-N 403.523 1.904 30 10 HDEE CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1557659070 FGGBZLSSJBAHOK-HNAYVOBHSA-N 407.492 1.353 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)NCCCN(C)C)ccc2C)CC1 1558423321 REPLHLIIVKLPNE-UHFFFAOYSA-N 420.579 1.052 30 10 HDEE CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1584007821 HZDHGBFITIQPHW-HUUCEWRRSA-N 421.498 1.237 30 10 HDEE COC[C@]1(C(=O)OC)CCCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1587105880 QOPDSVIACDQWAV-FQEVSTJZSA-N 404.467 1.642 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1587857405 YVGHRDODQGPZBM-GBESFXJTSA-N 417.554 1.953 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1589484912 VYVADERKGTXEDE-TWOQFEAHSA-N 402.474 1.937 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@H]1CCS(=O)(=O)C1 1589580349 NTRGUXSAIXAIRK-DZKIICNBSA-N 406.512 1.639 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2CCC[C@@H]21 1594627478 VNFXNURZFWGQJK-IKGGRYGDSA-N 409.556 1.956 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@H]4C3)CC2)c(F)c1 1594790013 IXPGYVXFOJLNJR-IAGOWNOFSA-N 405.495 1.807 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)NCc1ncc(-c2cccc(C#N)c2)[nH]1 1595534209 DJCVHUAILPIHGZ-UHFFFAOYSA-N 411.462 1.660 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595544433 ICQOFWMTVDDEPV-HRAATJIYSA-N 419.526 1.596 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)N[C@@H](CC#N)C(F)(F)F 1596784298 YOOKMFYDQUBEKC-NEPJUHHUSA-N 406.405 1.853 30 10 HDEE CCN1CCN(CC(C)(C)NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 1597761019 WBPYVGHCGRBZTN-UHFFFAOYSA-N 420.579 1.910 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)nn1 1598174634 YYXDICFDSBYXHC-ZDUSSCGKSA-N 415.450 1.159 30 10 HDEE Cn1ccnc1SCc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1598568605 XBKVCNZIBUEFOG-QFBILLFUSA-N 416.528 1.723 30 10 HDEE CCC[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1614344107 APDQPFPQLANCFN-LSTHTHJFSA-N 407.515 1.599 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1615923528 JSIYABYGIKJNPL-CVEARBPZSA-N 402.499 1.207 30 10 HDEE CO[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)C[C@@H]12 1618014943 FSGWQGQJSJYHOK-ZNMIVQPWSA-N 413.293 1.134 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H](C)Cc1ccc(C#N)cc1)CCS2(=O)=O 1618589411 LDEKSQLZZLGESX-QHPYWPBHSA-N 418.515 1.752 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H]3c4ccc(Br)cc4C[C@H]32)CC1 1623499262 VTCUWMFQOCGNAG-NZSAHSFTSA-N 416.319 1.228 30 10 HDEE Cc1ccc(N2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2=O)cc1 1623815107 RFDTZEPVQNLXRW-UHFFFAOYSA-N 415.446 1.920 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3Cc4ccccc4O3)CC2)cc1 1625121082 FIRZBFFSTIASIE-SFHVURJKSA-N 411.483 1.785 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)NCc2nnc3n2CCNC3=O)cc1 1625212176 WNZBRSPAHVNRAB-UHFFFAOYSA-N 402.414 1.402 30 10 HDEE N#Cc1c(CCCNC(=O)[C@H]2CCc3ncncc3C2)nn(-c2ccccc2)c1N 1625332099 LHXFSHJTXRPYFO-HNNXBMFYSA-N 401.474 1.970 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1C[C@@H]2CC[C@H](C1)S2(=O)=O 1625517366 HALGNWOVXNOWNK-ZXFUBFMLSA-N 415.519 1.622 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)[C@@H]2C[C@H](O)CN2c2ccncn2)CC1 1625580366 DJBGCFHBNNYEOP-IKJBURDNSA-N 408.462 1.189 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1627468953 HKTCWMMIKAIRNX-DYVFJYSZSA-N 422.931 1.438 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1627793895 ADUKQMURXMABCB-ZNMIVQPWSA-N 414.549 1.747 30 10 HDEE O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O)N[C@@H]1CCN(O)C1=O 1628370365 PREYVGYWBQLJEK-NWDGAFQWSA-N 415.233 1.305 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1c(Br)nc2n1CCOC2 1632218927 OGMLCVJGHSMZDO-ZDUSSCGKSA-N 405.252 1.853 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 1632425776 SNIQRKNXXZUDAH-QGZVFWFLSA-N 422.235 1.620 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)/C=C\c2ccc(S(C)(=O)=O)o2)C1 1632533296 SIYCGUZVKSYTDG-DOFRETIQSA-N 409.464 1.572 30 10 HDEE N#Cc1ccc(C(=O)N2CCC(n3nncc3I)CC2)cc1O 1632924300 XXJKJHGLMOCTIH-UHFFFAOYSA-N 423.214 1.937 30 10 HDEE CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)CC1 1633536195 HADOHZMJVQVHFM-KRWDZBQOSA-N 417.416 1.394 30 10 HDEE COCCn1c(C)c(C)c2cc(C(=O)NCCn3cc(C#N)c(O)nc3=O)ccc21 1633550389 OZYGJOSAPZUHIP-UHFFFAOYSA-N 409.446 1.469 30 10 HDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1634174513 HXJFBUICMDTGQO-GOSISDBHSA-N 407.478 1.842 30 10 HDEE C=CCO[C@H]1CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)C1 1637185569 YHPOTMWNENUCOF-KUNJGFBQSA-N 400.541 1.938 30 10 HDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1638598453 HJQWNAOIRWWTML-HOCLYGCPSA-N 402.476 1.156 30 10 HDEE N#Cc1ccc(C2(NC(=O)CCN3CCN(C(=O)[C@H]4CCCO4)CC3)CCC2)cc1 1640134928 SHBBIFPADXSSED-HXUWFJFHSA-N 410.518 1.767 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](CN(C)C)c2ccc(Cl)cc2)C1=O 1640275649 WVXQJTKXGPZBHL-CQSZACIVSA-N 406.870 1.078 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]4CCNC(=O)[C@@H]43)CC2=O)cc1Cl 1643489011 VOTSGTAAJISIOH-RVZJWNSFSA-N 400.866 1.692 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)c1occc1COc1cccc(C#N)c1 1644141759 CGJUIWIKZULUCN-MRXNPFEDSA-N 400.387 1.765 30 10 HDEE COC(=O)C1=NO[C@]2(CCN([C@H](C)C(=O)Nc3sc4c(c3C#N)CCC4)C2)C1 1644215786 QGEBNRUATNYBGU-NSPYISDASA-N 402.476 1.829 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC2CCCC2)c2ccccc2)CC1 1644282143 WPONCSNSQACZGP-IBGZPJMESA-N 405.520 1.299 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1644465474 HZOOIQIBHVCIQI-AWEZNQCLSA-N 417.443 1.900 30 10 HDEE C#CC[C@@]1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1645438254 IXOGRNRRHAWSJI-QRWLVFNGSA-N 404.467 1.403 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@H]([C@@H]2CCCO2)C1 1648399739 NTUPXDCPFKCGIF-IKGGRYGDSA-N 407.492 1.160 30 10 HDEE CN(C)[S@@](C)(=O)=NCC1CCN([C@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 1648583406 TZMPPPGHIKTOOA-VKGTZQKMSA-N 403.552 1.950 30 10 HDEE Cc1cccc2c(=O)n(CC(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cnc12 1651221281 UGBAZQTYBILOSP-UHFFFAOYSA-N 420.425 1.609 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 1660016594 KWXJLPDZXPUYKS-WOJBJXKFSA-N 413.522 1.636 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1665489245 NKBGVXGQVKWIFI-QZTJIDSGSA-N 405.495 1.415 30 10 HDEE Cc1cc(C)c(S(=O)(=O)NCC2(C#N)CCOCC2)c(C)c1NS(C)(=O)=O 1666688070 GXILIRDGGANQQE-UHFFFAOYSA-N 415.537 1.582 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1 1670382653 FMMUCSXXXVLBMB-IRXDYDNUSA-N 410.492 1.165 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C2CCN(C(=O)NCC(=O)NCC#N)CC2)C1 1682373473 IULVANGZTQLCLC-CVEARBPZSA-N 423.514 1.120 30 10 HDEE C#C[C@@H](CCC)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683684683 DERULSWUSJOBCU-GJZGRUSLSA-N 401.529 1.512 30 10 HDEE N#C[C@H]1CN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CCN1Cc1ccccc1 1684245591 BLQRBZQTZOEQNJ-PMACEKPBSA-N 410.522 1.696 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2OC)C1 1685846205 UECGHYNUIQQZOR-OAHLLOKOSA-N 409.508 1.656 30 10 HDEE C#CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1689916652 QPZXKRVIVBOZKI-AWEZNQCLSA-N 413.478 1.696 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ncnn1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1689987856 DFDITETWAUDTRJ-OAHLLOKOSA-N 417.539 1.177 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1689993065 UZWOVSFEEPXYEE-ROUUACIJSA-N 409.600 1.834 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](F)COC)CC1 1690131044 SMFINLZKVPVRRD-IBGZPJMESA-N 415.513 1.812 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1690311815 VAGHNDLKYISYGT-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@](C)(C(N)=O)C1 1690315822 NMOAVPSUIZGSFQ-QFIPXVFZSA-N 423.521 1.811 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690496221 MUXPJZYFNOCGIS-GHTZIAJQSA-N 421.542 1.626 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1690516229 BXBPAAQIBBVGOV-APWZRJJASA-N 412.556 1.908 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(C)(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)o1 1693059991 NULIUSBKRLSIKR-AWEZNQCLSA-N 411.466 1.965 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1694323297 CIAWFZGZHONWBJ-OAQYLSRUSA-N 415.542 1.805 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1cccnc1OC)[C@@H]1CCS(=O)(=O)C1 1705560109 IKKMYMKNPHJPLJ-NVXWUHKLSA-N 417.535 1.870 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1705613380 GKAALYVJQVXPPX-MRXNPFEDSA-N 422.511 1.087 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)CC1 1705638880 ALEOADVCHJWGRK-GOSISDBHSA-N 421.567 1.100 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CC1 1705639103 GGOHYDZMAOMFQY-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1705662966 RNDUTYZHVZGWHW-LJQANCHMSA-N 423.546 1.732 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1705732924 KFUGXFHEMIYBGM-FQEVSTJZSA-N 417.535 1.948 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1705744506 FYQFUWCBNKTXHN-HNNXBMFYSA-N 410.950 1.858 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1705747075 DPGRVWXCKMBCSQ-GXTWGEPZSA-N 413.935 1.716 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnccn1 1705819065 CITWXVJEQXVDPQ-INIZCTEOSA-N 421.527 1.004 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NCc1ccccc1 1705843789 NQBFFERMSIJAIF-KRWDZBQOSA-N 417.535 1.509 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1705900332 ZASMQIGEKPRXTP-JOCHJYFZSA-N 422.464 1.879 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2nnc(C)s2)C1 1705924060 ACXYDRSJZQEVNH-KGLIPLIRSA-N 424.552 1.170 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCNC(C)=O 1708954578 HTRTZBUBWFYKSH-SFHVURJKSA-N 412.494 1.674 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1711238376 BQAKLINGPQEJJH-OSCRUYLVSA-N 423.477 1.482 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@H]2C1 1712617300 ZLQQJOPTTKMRCE-LJQANCHMSA-N 412.494 1.001 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CCC(=O)N1CCOCC1 1722345316 OPQRRVSRNAWQCF-MRXNPFEDSA-N 415.469 1.876 30 10 HDEE C#CCN(c1nnc(CC)n1CCNC(=O)[C@H](C)CCC)[C@@H]1CCS(=O)(=O)C1 1722368248 QBDPKCDVAJHOTE-HZPDHXFCSA-N 409.556 1.020 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1722369552 ATRUAXJYSJOOLH-GVDBMIGSSA-N 410.540 1.427 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1OC 1722380649 TYZUUXKDBUHKRK-CRAIPNDOSA-N 411.462 1.130 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@H]1C1CC1 1722384102 TWPCRQHCIPXAEL-LQWHRVPQSA-N 416.547 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCCN1CCC(O)CC1 1722394031 MBPAOQOCACKAHD-UHFFFAOYSA-N 406.534 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1 1722400887 DDZMIGQAUWYKKN-UHFFFAOYSA-N 416.489 1.145 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(N)=O)cc1 1722401171 NXXGNDRQBVRKPJ-UHFFFAOYSA-N 419.489 1.402 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722438812 CXMIXNCDBQINPW-AZUAARDMSA-N 410.522 1.071 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722459022 AOMUCXJSOFNBLR-HZPDHXFCSA-N 418.523 1.808 30 10 HDEE C=C(C)COCCn1c(N2CCC([C@@H]3NC(=O)N(C)C3=O)CC2)nnc1C(C)(C)C 1722537051 UEJLEAIFNPFVJP-INIZCTEOSA-N 418.542 1.935 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CN(C)C2=O)CC1 1722563852 BNRSLKRXGYPXCL-RTWAWAEBSA-N 403.527 1.953 30 10 HDEE C=C1CCN(c2nnc(COc3cccc(C)c3)n2CCNS(C)(=O)=O)CC1 1722568349 IOCYUVVVAWTPAU-UHFFFAOYSA-N 405.524 1.871 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1csc([C@H](C)OC)n1 1722631505 OSIMPJLFKNFTBG-NEPJUHHUSA-N 414.557 1.723 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1722688799 LTBIXFBQZFIOLC-OALUTQOASA-N 422.533 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C)o3)n2CCN2CCCS2(=O)=O)C1 1722718680 UFVKRQHOAFGYNV-MRXNPFEDSA-N 421.523 1.663 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CC[C@H](CO)O2)C1 1724015900 RQMCKVHIWDREPG-RZQQEMMASA-N 402.499 1.070 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1740548549 IPJPLJJZDVNJSI-RHSMWYFYSA-N 419.507 1.188 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740595385 SFNWAVWMTNZFEM-AWEZNQCLSA-N 423.564 1.552 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCCN1C[C@H](C)O[C@H](C)C1 1740598383 OLRLZLLYTFFHNI-CALCHBBNSA-N 404.559 1.765 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nc(O)c(C#N)cc2C1 1740598549 UQGOBRMSLIGLCL-KXBFYZLASA-N 422.489 1.950 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740639376 SRRHFNBFYYEENZ-CABCVRRESA-N 408.428 1.186 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1740671947 SGNRFYHDFMPZGG-MRXNPFEDSA-N 411.572 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCN1CCc2ccccc2C1 1740683810 OOWAZZNAFISUAB-UHFFFAOYSA-N 417.517 1.879 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)NC(C)C)CC1 1740827026 HDFUDQQDCJDZJH-UHFFFAOYSA-N 404.540 1.748 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1740955934 DQWQSUOSQHXBFQ-KRWDZBQOSA-N 416.913 1.422 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cccc(Cl)c1 1740963592 PLGGYEFRBRPEDL-UHFFFAOYSA-N 416.913 1.993 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C2CC2)N(C)C)C1 1740984260 YTZQGANXBZCIQW-ROUUACIJSA-N 402.543 1.522 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC2(CC1)CNC(=O)C2 1740991009 LXSCCPHTTSCDPD-UHFFFAOYSA-N 421.567 1.643 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1C(F)(F)C12CCC2 1741126471 SCNBKIGANHWGDB-AGIUHOORSA-N 416.498 1.920 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C 1748667760 ZQQMYTQKJNNNHR-IPELMVKDSA-N 410.522 1.999 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2sc(C)nc2C)CC1 1748989869 DBFZFPFMZVNKKT-MRXNPFEDSA-N 413.551 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](CCC)OC)CC1 1749000893 CXMCYVIHZQYXBR-KRWDZBQOSA-N 418.542 1.197 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ncccc2C)CC1 1749009176 GBJKHBFKFPKICC-IBGZPJMESA-N 422.533 1.890 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCOC1=O 1749066003 GADBNJMWXAFBOF-HNAYVOBHSA-N 421.523 1.015 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(=O)(=O)CC 1749126308 AUNMPSIAQYJMGX-NVXWUHKLSA-N 420.539 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C(=O)NC)C1 1749135749 IEKPUQOXMGFZJK-NSHGMRRFSA-N 417.554 1.943 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1749412553 NWARJVHVKXAQPQ-HUUCEWRRSA-N 410.544 1.056 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1)C1CC1 1749519257 HOMDBWVGRJTYQK-INIZCTEOSA-N 409.556 1.956 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)C[C@@H]1CCCOC1 1749732315 VMFCBGRJOBAWBT-IRXDYDNUSA-N 412.556 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1749736220 GPCQDLZFTXZJLK-WMZOPIPTSA-N 419.551 1.726 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1750095932 OWCZPDDVXIKBOZ-OLZOCXBDSA-N 415.479 1.506 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccccn2)nnc1N1CCCOCC1 1750418183 JTRJXPWJZCOGGV-ZPHPHTNESA-N 409.450 1.093 30 10 HDEE CC(C)Cc1nnc(N(C)CC2CCOCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1750711728 XMWJPOOIWPVPEB-VXPUYCOJSA-N 416.526 1.866 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1760165113 JTOBSEVNKKDAHW-QFIPXVFZSA-N 409.490 1.334 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760181199 QXSNMHLGHZWPJJ-UZLBHIALSA-N 422.551 1.357 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(C2CC2)CC1 1760249056 VEGAMRREAWTEGC-GOSISDBHSA-N 400.527 1.190 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCc2csc(CC)n2)CC1 1760260153 MNBDCJTYCXCKSR-UHFFFAOYSA-N 408.535 1.752 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2([S@](C)=O)CC2)CC1 1760269258 CIIBEQGUWLPFON-LJAQVGFWSA-N 417.579 1.813 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC2CC2)CC1 1760285131 YDCHLKWSJPUIQM-UHFFFAOYSA-N 402.568 1.299 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760522940 HGXMKARHUJWWOM-QGZVFWFLSA-N 424.513 1.031 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](CC)C1 1760526121 DYTBGOBKTAODJK-CQSZACIVSA-N 402.524 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)=O)C2)C1 1760541365 AVJMGZUIHGSFLS-KZNAEPCWSA-N 416.526 1.269 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760557147 BGNWPEZDAXJGMZ-HNNXBMFYSA-N 409.556 1.279 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)cs1 1762260829 SSSXZHBHDZKKHL-CYBMUJFWSA-N 423.568 1.408 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@](C)(C#N)C2)n1CCC(=O)N1CCOCC1 1767493124 GJYUBNMULJVENR-OAQYLSRUSA-N 411.510 1.663 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(C)(C)O)c1 1768388629 CUQVGRHPUAUWHE-KRWDZBQOSA-N 401.467 1.852 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O)[C@@H]1CCSC1 1768544864 MTWLQAUHIWNMJF-MRXNPFEDSA-N 420.564 1.698 30 10 HDEE COC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)CCO1 1769515748 HLRSKHJDANAEIK-SFHVURJKSA-N 411.466 1.504 30 10 HDEE CS(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC2)c1 1770308408 FHXPQIOAZUXLGQ-GOEBONIOSA-N 417.491 1.114 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2ccoc2)c1 1771531105 BRDQNDZGSLFBQN-UHFFFAOYSA-N 406.446 1.929 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nncc2C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772793714 WONUOEQQPSGQIB-UHFFFAOYSA-N 413.390 1.438 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)c1ccc2c(c1)OCCCO2 1848818399 VRJDAWOUBCAWHU-UHFFFAOYSA-N 401.448 1.019 30 10 HDEE COc1ccc(NC(=O)C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)cc1C#N 1850159100 GZXWFWRJVBDQRH-UHFFFAOYSA-N 420.413 1.614 30 10 HDEE O=C(c1cc(OCC(F)(F)F)ncn1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852083996 UJEBQVCSOWIMBG-UHFFFAOYSA-N 420.291 1.902 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)c2C)c(F)c1 1852504316 NBFSOHFUHYFCSQ-UHFFFAOYSA-N 406.425 1.647 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)N1C[C@H](CN2CCC(C#N)CC2)CCC1=O 1853680723 NCVTVWILBRTUFW-INIZCTEOSA-N 407.478 1.491 30 10 HDEE COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)Cc3ccc(C#N)cc3)CO2)cc1C 1854393177 CSOGGMCMXJHNDZ-KRWDZBQOSA-N 416.455 1.966 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)[C@H](C)C2=O)cc1C#N 1854750223 NWVGHNIVGXLWRR-CZUORRHYSA-N 422.407 1.703 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCN(C(=O)CCn3cncn3)C2=O)CC1 1855116611 VFZLIVRBMBZJNE-SFHVURJKSA-N 407.478 1.332 30 10 HDEE Cn1nccc1C(=O)N1CCC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855165250 PJRLJUMVVJYORQ-FQEVSTJZSA-N 407.474 1.966 30 10 HDEE Cc1nnc(C(=O)N2CCC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)o1 1855166114 FWJOAJMPBSSFTK-GOSISDBHSA-N 409.446 1.924 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)Cn2cnc3ncccc3c2=O)C1 1855463584 PIOGBEADWXHFBL-IAGOWNOFSA-N 409.490 1.597 30 10 HDEE N#CC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C2)CC1 1855867263 LEIPZUOBCNHNOL-IRXDYDNUSA-N 412.465 1.789 30 10 HDEE CCn1nccc1C(=O)N1CCC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1856102482 JCINKKYYYDWILL-KRWDZBQOSA-N 407.478 1.123 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCN(C(=O)Cn3cnc4ccccc4c3=O)C1=O)CC2 1856524878 LATSMRGYHCVWDI-CRAIPNDOSA-N 405.458 1.150 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCn2nnc3ccccc3c2=O)C(=O)C1(C)C 1856754450 BXZALZSJLQRPEZ-HNNXBMFYSA-N 410.478 1.323 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@@H](CN2CCC3(CC2)C[C@@H]3C#N)CCC1=O 1857286321 JKPQFUJMRNLQQQ-HZPDHXFCSA-N 412.490 1.398 30 10 HDEE C=C(C)CN1c2ccccc2N(C(=O)[C@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@@H]1C 1857474581 JSILJRPRRZVDFD-KBXCAEBGSA-N 419.503 1.324 30 10 HDEE O=C1CSC(=O)N1CCNC(=S)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1 1860498926 ZZKWZBWASCPTBL-OMCISZLKSA-N 401.857 1.742 30 10 HDEE CCN(CC)c1nc(NC(=O)c2cccc(C#N)c2)n([C@H]2CCS(=O)(=O)C2)n1 1870057820 BWOOEYMZASPOQH-HNNXBMFYSA-N 402.480 1.608 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CSc1ncccn1 1870309943 RDYAMPOPCBLGCI-UHFFFAOYSA-N 402.476 1.354 30 10 HDEE C#CCOc1cn(CCc2ccc(S(N)(=O)=O)cc2)c(CN(CC)CC)cc1=O 1870561327 IRCVDBSKRUETCJ-UHFFFAOYSA-N 417.531 1.592 30 10 HDEE CC(C)(C)c1nnc(SCC(N)=O)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874482104 KABPJAPMKHBWBV-UFWORHAWSA-N 420.451 1.715 30 10 HDEE C=CCn1c(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2c(NCCOCCO)ncnc21 1875230936 TYTCVBZAZYTXIS-HUUCEWRRSA-N 403.483 1.288 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(=O)N[C@H](CS)C(=O)O)Cc1ccccc1 1885473712 BSXVQZOEWWDEIV-OAHLLOKOSA-N 411.524 1.513 30 10 HDEE N#CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 1890237142 IUGSLEYZRFOPIJ-UHFFFAOYSA-N 410.565 1.501 30 10 HDEE N#CC1CN(S(=O)(=O)N[C@H](CNC(=O)OCc2ccccc2)C(F)(F)F)C1 2006286366 FERUNFVMHHRVKD-CYBMUJFWSA-N 406.386 1.133 30 10 HDEE COCCN(CCC#N)S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2046024000 WYVGSRWBNVASLJ-GOSISDBHSA-N 411.455 1.203 30 10 HDEE CN([C@H]1CCCN(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)C1)S(C)(=O)=O 2172779328 ATKUBTYBGSKJRO-LBPRGKRZSA-N 401.363 1.303 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174783981 JCFDZHSERCRTBD-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2ccc(C#N)nc2)C[C@H]1C(F)F 2174788394 FBEMCDWAFZBINZ-OLZOCXBDSA-N 402.423 1.732 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2174789307 PDYBLKIXGUMSQB-MAUKXSAKSA-N 401.529 1.824 30 10 HDEE N#Cc1ccnc(N2CCN([C@H]3CN(C(=O)OCc4ccccc4)C[C@@H]3O)CC2)c1 2195969820 HCWMWFGTMBOCCR-PMACEKPBSA-N 407.474 1.457 30 10 HDEE COC(=O)[C@@H](CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2245255085 AFCGXSUIQWWJCS-WTNCMQEWSA-N 412.292 1.747 30 10 HDEE COC(=O)[C@@H](CNC(=O)OC(C)(C)C)Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247251759 ZIGXLRDPWKSEOC-CQSZACIVSA-N 422.287 1.826 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2247838274 FZYCJKQKIVDRPU-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N1CCC(=CB2OC(C)(C)C(C)(C)O2)C1 2248404672 OAMFBUGJANZQHW-CQSZACIVSA-N 423.319 1.545 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H](COCc3ccccc3)C(=O)O)co2)OC1(C)C 2248564195 KQIKYOGDGRXVIY-MRXNPFEDSA-N 415.251 1.979 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC2(CN(Cc3ccccc3)C2)C1 2255876472 NEKWBSTVUWMQJQ-UHFFFAOYSA-N 423.326 1.072 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2258161862 IFLVRIARRKIHAF-OAHLLOKOSA-N 404.404 1.075 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[S@](C)=O 2267376306 TZGZFMGEAQSQDW-JNDILOIQSA-N 407.388 1.483 30 10 HDEE CON(C)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704034 HBPQFNPDOZHTFI-UHFFFAOYSA-N 410.754 1.472 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1nncs1 2267720265 LXASHYWJVPDSSB-SECBINFHSA-N 401.344 1.938 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccccc1C#N)NC(=O)OCc1ccccc1 2270515909 DPEAIHLMTDRXEF-QGZVFWFLSA-N 417.443 1.768 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 2281960054 UBQKNIRWEAWIJS-LLVKDONJSA-N 400.331 1.010 30 10 HDEE C[C@@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282028883 KPTKHILUDMNFCC-NWDGAFQWSA-N 401.359 1.941 30 10 HDEE CNC(=O)[C@H](C)N(C)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282312708 ABQRDRRHKJPHGM-VIFPVBQESA-N 422.765 1.456 30 10 HDEE CCN(C1CN(C)C1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282319321 RKFNTMLQIHGBQZ-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE CC1(C)CC[C@@H](O)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282339539 YLRNQEOZTGBMCB-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H](O)CC2)OC1(C)C 2282834685 XFEZKXFJYBBKKG-LBPRGKRZSA-N 402.347 1.119 30 10 HDEE C[C@@H](CCN(C)C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843400 MVBVAXYPZMBZCE-LBPRGKRZSA-N 403.379 1.202 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282848129 JLWKIFLMQXDANV-LBPRGKRZSA-N 400.375 1.653 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)[C@H]3CCNC3)s2)OC1(C)C 2282851447 BWVVZSBMBZZGSH-FTJNGKRUSA-N 420.387 1.196 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CN1C 2282855947 LHWCTFFIAPTRPW-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(N)=O)CCCC3)s2)OC1(C)C 2282856195 OUYZCAXXPMGFOR-UHFFFAOYSA-N 400.331 1.124 30 10 HDEE CC1(C)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CN 2282869623 FQVMBWCJRIAKSE-GFCCVEGCSA-N 400.375 1.653 30 10 HDEE CSC[C@@H](C)CNS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282869902 JWNMDFZSDCQFLV-NSHDSACASA-N 403.379 1.305 30 10 HDEE CCC[C@@H]1CNCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872468 XBILZUPZUBDPNB-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@H](O)C3)ccc2Cl)OC1(C)C 2282874183 WTUWXPIANRWHPZ-RYUDHWBXSA-N 401.721 1.831 30 10 HDEE C[C@H]1COC[C@@H]1N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881876 DIQSVGANONZFQK-JSGCOSHPSA-N 401.359 1.844 30 10 HDEE CS[C@H](C)[C@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369624 XRUPSPODSZYUBW-SCZZXKLOSA-N 400.331 1.685 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]3CC(=O)O)cc2Cl)OC1(C)C 2284394396 XSOLRUJUPLIVDU-SECBINFHSA-N 421.733 1.938 30 10 HDEE C[C@@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284406834 DCBFPOGBCOJAGO-GXSJLCMTSA-N 419.355 1.584 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2302855287 SJUPHHCOKPHDDK-ZDUSSCGKSA-N 414.271 1.230 30 10 HDEE C[C@@H](C(=O)O)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2302857449 SREHEOJAJYBATB-AWEZNQCLSA-N 413.283 1.835 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2365199082 LFWVOAHYDIEQOE-OAGGEKHMSA-N 402.557 1.552 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(COC)CCCN1C(=O)OC(C)(C)C 2365204859 PCMRULXWNYALNJ-DNVCBOLYSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2C1 2365205565 BRDVSTSISYERLX-NXEZDXNNSA-N 400.541 1.148 30 10 HDEE N[C@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](O)c1c(Br)cncc1Br 2367291142 OTYUCMFJIDUDOM-VIWFTRRCSA-N 402.086 1.863 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367806629 LYWZXZYDQQDJJR-CLCXKQKWSA-N 400.541 1.292 30 10 HDEE CC[C@H]1N(C(=O)OC(C)(C)C)C[C@]1(O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367815499 LYFZJKKSIVDOHH-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(CNC(=O)OC(C)(C)C)C1 2378915417 JXBGITMXJFRRSM-TXKKKEFDSA-N 402.513 1.420 30 10 HDEE C=CCN1C(=O)c2c(C(=O)OC)ncn2C[C@@]1(C)C(=O)NCc1ccccc1OC 33265996 SEHGFXFBFSCHTQ-NRFANRHFSA-N 412.446 1.395 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)C(=O)C1=O 35478947 AUUGYBVLSABAKC-UHFFFAOYSA-N 421.519 1.095 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1)Nc1nncs1 58993542 KDDDNSNYGQFBHW-LHHJGKSTSA-N 405.425 1.741 30 10 HDEE NC(=O)c1ccccc1OCC#CCNC(=O)CCCN1C(=O)c2ccccc2C1=O 90743881 UTSCZMOYAUJTJZ-UHFFFAOYSA-N 419.437 1.360 30 10 HDEE CCn1cc(C(=O)N2CC[C@@H](Oc3nccnc3C#N)C2)c(=O)c2ccc(C)nc21 219947116 YZNXGMOWTITGOO-CQSZACIVSA-N 404.430 1.680 30 10 HDEE COc1ccccc1CN1C(=NC(=O)CCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 254836389 NRDJKVXKBQPVOZ-GXTWGEPZSA-N 412.489 1.157 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C(=O)OC)c(Cl)c1 441962728 VZYPXOWKGZUBHM-NSHDSACASA-N 407.897 1.490 30 10 HDEE COCc1noc(CN2CCN(S(=O)(=O)c3ccc(Cl)c(C#N)c3)CC2)n1 444217072 DLVURJFTUJORKY-UHFFFAOYSA-N 411.871 1.248 30 10 HDEE C=C(C)C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 464522874 ITPSYIKKLWKXBR-ZFWWWQNUSA-N 400.522 1.693 30 10 HDEE C[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O)n1cnc(C#N)n1 467253150 HPKUJHYECFLJEO-QMMMGPOBSA-N 402.358 1.740 30 10 HDEE COc1ccc(C(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 505014181 PBOOXGOWLJFHSB-UHFFFAOYSA-N 414.462 1.258 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](CC)O[C@@]2(CCOC2)C1 508803626 YBFRBHPTYZZDKT-NQIIRXRSSA-N 422.493 1.881 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)CC1 522318097 QLIUEEJUAIEALN-UHFFFAOYSA-N 400.458 1.141 30 10 HDEE CC1(C)CCC[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 544834588 IGNOOYGYOMHSLS-JOCHJYFZSA-N 424.505 1.493 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 549530507 OUQFHDXIEALTNZ-AEFFLSMTSA-N 421.519 1.176 30 10 HDEE CN(Cc1cnn(-c2ccccc2)c1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 552061401 JLFADPOAZREOOI-UHFFFAOYSA-N 409.471 1.681 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(=O)N2CCOCC2)C1 555097479 PMDVQKIDVCCIMN-GOSISDBHSA-N 424.505 1.824 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 555243546 XIKJVRGYJFJMOI-QGZVFWFLSA-N 402.499 1.869 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@@H]2CCS(C)(=O)=O)c1 561041795 FVNIGPBBXCHRHQ-MRXNPFEDSA-N 414.549 1.580 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC2 579413488 OLDIYCFPAZRHOF-GOSISDBHSA-N 400.504 1.924 30 10 HDEE N#Cc1ccccc1S(=O)(=O)Nc1cnc(N2CCN(c3ccccn3)CC2)nc1 585434271 HXJNGURQEDVKNJ-UHFFFAOYSA-N 421.486 1.871 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC4(CCCOC4)C3)CC2)cc1 588798332 KYUIRALFRSRTEX-UHFFFAOYSA-N 403.504 1.598 30 10 HDEE N#Cc1ccccc1CN1C(=O)CN(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)C1=O 726590708 QXAUVTWDHSVOBQ-QGZVFWFLSA-N 422.445 1.614 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C/c1ccc(Br)cc1 727447967 CTMVHUQXFKYOEK-USYSOWRXSA-N 418.334 1.872 30 10 HDEE C#CCN(C(=O)c1csc(-c2ccc3c(c2)OCO3)n1)[C@H]1CCS(=O)(=O)C1 729333159 PREVIJWJOLGQLZ-ZDUSSCGKSA-N 404.469 1.801 30 10 HDEE COCCNC(=O)CSc1ccccc1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732647860 LVPNVQDUNMPGCY-INIZCTEOSA-N 402.520 1.354 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)N2CCc3ccc(Br)cc32)CCN1C1CC1 732895354 XRVSERWGYUAHCC-OAHLLOKOSA-N 403.280 1.537 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 733673225 TUEJUZPXSLXTBO-XLNRJJMWSA-N 404.492 1.358 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 734291326 NLTSLRRQMTYQNM-CQSZACIVSA-N 401.419 1.864 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 735404044 SGMBVPWRRMAFAZ-UHFFFAOYSA-N 424.438 1.655 30 10 HDEE COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N 746679701 BFTMEILMYVCRQG-UHFFFAOYSA-N 409.489 1.296 30 10 HDEE COc1cc(Br)cc(C)c1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 749648038 XKXKBHVWLDXTJT-AWEZNQCLSA-N 421.295 1.903 30 10 HDEE Cn1c(N)c(C=NNc2nnc(-c3ccccc3)n2-c2ccccc2)c(=O)n(C)c1=O 749816064 WHIBRFUPGGSSHL-UHFFFAOYSA-N 416.445 1.360 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 756677199 YGKGOWYZWQITSI-AWEZNQCLSA-N 415.943 1.333 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCCNC(=O)c2ccccc2)C1 758324957 LXSAGMZZJOXWSJ-JKSUJKDBSA-N 401.467 1.475 30 10 HDEE CCOc1cc(Br)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 764262556 UZAYDBBCXIKVIY-CQSZACIVSA-N 421.295 1.985 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](Cc2ccccc2)C(=O)O)c1 767132373 GIPZIZUXTRBXQU-QGZVFWFLSA-N 400.456 1.271 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@]2(CCOC2)C1 769624171 PEVVBLYROIFIHM-FQEVSTJZSA-N 421.519 1.303 30 10 HDEE C#CCN(C(=O)NCCc1ccc(F)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774181353 UNKVAPKPYPBLIY-ZDUSSCGKSA-N 417.300 1.963 30 10 HDEE C=CCSc1ccccc1C(=O)OCCCn1c(=O)c2c(ncn2C)n(C)c1=O 777076583 TUPGVSHXLSVNQC-UHFFFAOYSA-N 414.487 1.959 30 10 HDEE C[C@@H](OC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)N1CCN(c2ncccn2)CC1 777174310 QCRFNRYHKRYOBT-MRXNPFEDSA-N 405.458 1.926 30 10 HDEE CCOc1ccc(NC(=O)[C@H](O)c2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 780856983 QOKBVABYKPYNST-GOSISDBHSA-N 403.460 1.879 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 780919936 YLVSFEPJVMYKSQ-FQEVSTJZSA-N 412.877 1.710 30 10 HDEE CS(=O)(=O)c1cccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)c1 781451326 ILGPMAQCJKNLQT-UHFFFAOYSA-N 404.469 1.498 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](O)CC(F)(F)C1 787836031 VFGPPHDWOLXLQE-ZDUSSCGKSA-N 415.462 1.514 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2ccccc2O[C@H](C)C#N)n1 787907592 GCMVUERJPCMLOF-GFCCVEGCSA-N 416.459 1.908 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCN2CCN(c3ccccc3)CC2)n1 790105071 BVLFLFBEFOOHML-UHFFFAOYSA-N 409.534 1.704 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(N)(=O)=O)cc(C)c2C)n1 790108785 GLNPESWMFDHRQN-UHFFFAOYSA-N 404.492 1.069 30 10 HDEE N#Cc1ccc(COC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)cc1F 791381240 PWGDALNTFUUPES-AWEZNQCLSA-N 417.418 1.441 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1cccc(CN2CCSCC2)c1)n1cnc(C#N)n1 798745635 UTCQMGCKPURIQB-CQSZACIVSA-N 414.491 1.441 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)OCCOc3ccc(S(N)(=O)=O)cc3)CC2)c1 803923723 XIYYDYUBDPSMDB-UHFFFAOYSA-N 404.419 1.999 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)O[C@@H](C)C(=O)NCCN1CCOCC1 805973017 FWAGMPPBTLYHCL-LPHOPBHVSA-N 403.479 1.342 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 812186135 KPKPTDXKTMTCQI-OAHLLOKOSA-N 422.530 1.735 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3COCCO3)n2CC(=C)C)n1 812187744 DRRUJVGCCAVJMW-SFHVURJKSA-N 400.483 1.425 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cc1OC 917799250 VBKKDRGMAZZXPJ-UHFFFAOYSA-N 414.446 1.815 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3O)n2)o1 1084083079 YBGPTWFKSZIXBK-UHFFFAOYSA-N 402.440 1.310 30 10 HDEE Cc1c(C#N)cccc1C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 1116930608 FZXKRSYLXZUSHP-KGLIPLIRSA-N 415.471 1.937 30 10 HDEE Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnn1CCC#N 1124420044 MQXQAWJKAFYZPU-UHFFFAOYSA-N 403.464 1.378 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 1129157075 WRHBXSKQKYOCKS-IYBDPMFKSA-N 406.446 1.951 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC)[C@@H](O)c1c(F)cccc1F)c1cc[nH]n1 1137413755 INILDIRTOMWDHL-SCLBCKFNSA-N 424.404 1.600 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C[C@H](C)OC[C@@H]3C)ccc2c1=O 1146890655 LVYKTPXHKPYIQS-KBPBESRZSA-N 402.520 1.710 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2c(C)nn(CCC(=O)OC)c2C)c1 1149745494 UJSJXGKFMHBAPI-UHFFFAOYSA-N 418.475 1.227 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1152886560 DXYWAHFKBPUFDT-BIVLZKPYSA-N 421.494 1.619 30 10 HDEE COCCn1nnc2c1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2 1159286719 GJUUYFQPHJXRST-HNNXBMFYSA-N 420.514 1.786 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCN(C(=O)COc3ccc(C#N)cc3)CC2)C1 1159377898 CJZHHSCKRIWYOA-UHFFFAOYSA-N 400.479 1.701 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)s1 1162394184 RPVJQXTVXNDSHP-UHFFFAOYSA-N 407.473 1.575 30 10 HDEE C#CCN(CC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccnn1C)C(=O)OC(C)(C)C 1164515710 BACHLMHTJPZROG-INIZCTEOSA-N 406.483 1.789 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1F 1175022232 SFERMHZUDXOYKQ-MRXNPFEDSA-N 400.431 1.957 30 10 HDEE COc1cccc2c1CC[C@]2(CO)NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1175723294 CYZDXDMRNRJCTI-DENIHFKCSA-N 400.523 1.111 30 10 HDEE CC(C)C(=O)N1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1251842606 KRTNOXBGQCHLOQ-QGZVFWFLSA-N 411.462 1.090 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C)C[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 1252459151 PGOCLBGGTIGDLO-ZBFHGGJFSA-N 408.296 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN(C)S(=O)(=O)CC 1286299329 COKRWVIVZSIQHR-INIZCTEOSA-N 404.540 1.393 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)NCC(F)F 1286403295 LLEXYFVKHGVKBE-UHFFFAOYSA-N 401.373 1.128 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN(C)C(=O)OC(C)(C)C 1286407821 RXTUHQRXSUAVFS-INIZCTEOSA-N 414.510 1.559 30 10 HDEE C#CCN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC(=O)N(C)C)CC1 1286477130 OJHUMQVYHBCIOX-UHFFFAOYSA-N 405.506 1.280 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CC(=O)N(c3ccccc3)C2)CC1 1286488244 LTYWSMQQHNPLDX-GOSISDBHSA-N 420.517 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCn2ccnc2C)CC1 1286490154 MTZBEKGUDWGVPO-UHFFFAOYSA-N 418.505 1.511 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCNC(=O)C2CC2)CC1 1286665419 FMTQPKBBHZZZRQ-ROUUACIJSA-N 403.527 1.931 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)NC)CC1 1286672846 QTWOVLRXTIURLY-INIZCTEOSA-N 423.583 1.745 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C)CC1 1286703846 TYRDBMIWDUEROD-UHFFFAOYSA-N 410.526 1.792 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1286711933 RITWSBJRHRPLNM-HZPDHXFCSA-N 412.556 1.777 30 10 HDEE C=CCn1c(N2CCN(C3CCOCC3)C[C@@H]2C)nnc1[C@@]1(OCC)CCOC1 1286777740 KZNGXCAHRBIPCT-LAUBAEHRSA-N 405.543 1.806 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)OC1CCCC1 1286789259 BKNMIFHACQEKGQ-UHFFFAOYSA-N 418.523 1.882 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1286792269 SLUDMDCGNKHVGW-INIZCTEOSA-N 416.457 1.013 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCOCC2)CCOC1 1288281765 NARLVCOWSWBDST-WIYYLYMNSA-N 420.558 1.779 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)nc1 1289437429 WBCHRBPTVVYESA-OXJNMPFZSA-N 408.439 1.756 30 10 HDEE C#CCCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300423869 AHOXJGYCGBIVCA-BBTUJRGHSA-N 406.527 1.972 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1300431849 NCIBXOPZKAVTTM-JOCHJYFZSA-N 421.505 1.937 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCN(CC)S(C)(=O)=O 1300466915 BBEQWUMTNLLKHC-UHFFFAOYSA-N 410.569 1.375 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)c(F)c1 1300538965 WFYGONVCAIKDDS-MRXNPFEDSA-N 418.469 1.774 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCO[C@H](C)C2)CC1 1300707450 ZTQKDDLFEURNKD-UXHICEINSA-N 411.554 1.710 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCO[C@@H](C)C2)CC1 1300710873 OOLLCYPNHKXRAB-VQTJNVASSA-N 416.570 1.386 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)CC1 1300718532 RQDGPEAFNZBUGK-UHFFFAOYSA-N 418.501 1.698 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1300754003 FHZWXVOKOGUABX-MJGOQNOKSA-N 414.579 1.807 30 10 HDEE C=CCCCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301185411 CJVRYNZKAYVCGO-UHFFFAOYSA-N 400.527 1.783 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@@]4=O)C2=O)cc1 1312626537 OPYCYHOQNANRIF-NXOLYCHUSA-N 400.504 1.354 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 1342211188 UWQSACSFCFSLLO-DOTOQJQBSA-N 409.464 1.551 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1358912988 CNEHVPDDQWJGMK-MRXNPFEDSA-N 409.556 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(S(C)(=O)=O)CCC1 1358941568 PHKPZUOIVFPJKO-UHFFFAOYSA-N 403.464 1.890 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cscc1C)[C@@H]1CCS(=O)(=O)C1 1358963856 OZMIQKQXDOSLOW-DOTOQJQBSA-N 420.560 1.827 30 10 HDEE C#CCSCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1359062044 URCDGHPHEGMTPU-VQTJNVASSA-N 419.551 1.156 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@H](COC)C1 1359293300 MNJOJNLLVZXIDC-GFCCVEGCSA-N 423.315 1.811 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1359297032 CCBQBFBVWPYBAD-HRAATJIYSA-N 414.510 1.360 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(OCC)cc1 1359298703 JAUCLQZXAJROIP-QGZVFWFLSA-N 412.494 1.567 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H]2C)C1 1359312721 ZZXRBWJWDJTBTN-QZTJIDSGSA-N 402.543 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCN(c2cccc(O)c2)CC1 1359332680 DMRGMLLQOAILOG-UHFFFAOYSA-N 405.524 1.474 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(O)CCSC1 1360474201 JGRVOYWOAVWZKQ-KPZWWZAWSA-N 404.496 1.612 30 10 HDEE C=CCCn1cc(C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N2CCOCC2)nn1 1440898763 JRLUMBGSSFPJEL-GOSISDBHSA-N 415.494 1.675 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)CC1 1449419434 AUBAGQYKBAVVQT-HNNXBMFYSA-N 409.483 1.708 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@@H]3Cc4ccccc4NC3=O)C2=O)cc1 1454625552 HCTFRWSPYHPGPR-ZWKOTPCHSA-N 417.425 1.443 30 10 HDEE COC(=O)c1ccnc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c1 1464065776 KJLBZIDZWQRBSQ-UHFFFAOYSA-N 404.430 1.870 30 10 HDEE CCN(CC)CCN(C(=O)C(=O)/C=C\c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1466157411 KGSIHELKAUMBJB-IEODJVTJSA-N 410.511 1.766 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2C(C)(F)F)CC1 1467178131 JFOWAZRARDSSDQ-UHFFFAOYSA-N 404.414 1.555 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](CO)C[C@H](OCCOC)C3)n[nH]2)c1C 1467652531 QYBBKEIWWYBMFU-IRXDYDNUSA-N 417.510 1.562 30 10 HDEE C=CCc1cc(CNC(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc(OC)c1OC 1468362100 RWPCRSYODRHKAZ-HXUWFJFHSA-N 424.519 1.531 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(S(C)(=O)=O)c(Br)c2)CC1 1471526638 KJBHUBQOPDQQTM-UHFFFAOYSA-N 400.294 1.843 30 10 HDEE CCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1503179079 GLWXNOYCEQBZIT-QZTJIDSGSA-N 413.478 1.604 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)N(C)C1CCCCC1 1507616918 PPAWFSXSWSMRFW-OAHLLOKOSA-N 407.540 1.041 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507631632 FQJHARULBSYCJE-PKOBYXMFSA-N 419.595 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(NC(N)=O)cc1 1507703302 UJTLBUIMGROFKU-UHFFFAOYSA-N 413.482 1.041 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)cc1 1507710813 KXHUDMXAUCNTJI-INIZCTEOSA-N 422.938 1.968 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@](C)(O)CCOC)CC1 1507739115 MVLSTJJWMBXPCB-JOCHJYFZSA-N 417.554 1.689 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC2CC2)CC1 1507902574 KQNVTAMGGBTIJK-KRWDZBQOSA-N 409.556 1.814 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507904030 WMUYXHQVDPVPRC-IAGOWNOFSA-N 409.556 1.608 30 10 HDEE C=CCn1c(Cc2ccc(F)cc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1508061738 LZEDOILZEYUMSP-GOSISDBHSA-N 412.469 1.961 30 10 HDEE C=CCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1508066242 LPQJXHDBGJWQSW-NRFANRHFSA-N 403.527 1.955 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1508406075 JOAWDWFSLDZWLX-CVEARBPZSA-N 402.499 1.653 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NC)ccc1F 1515742699 PHEUAOQQSYCWJZ-KRWDZBQOSA-N 419.478 1.377 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCOCCN(C)C 1518478103 CFRUAQCNLZOGBY-GOSISDBHSA-N 414.510 1.184 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(F)(F)C3)n2CC2(C(N)=O)CCOCC2)cc1 1521089253 AJTLMMWUMCGFFF-UHFFFAOYSA-N 416.432 1.944 30 10 HDEE COC(=O)CN(CC#N)C(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1530490753 FPKZITMRZXHTPZ-UHFFFAOYSA-N 421.251 1.045 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 1535416929 ANQYBBIHMZCCIO-HOTGVXAUSA-N 421.519 1.882 30 10 HDEE C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1538308775 TTZSRARHDKWZBR-MKBNYLNASA-N 402.394 1.869 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCN1CCOCC1 1538965876 QTJYAJZRAAVPBO-KRWDZBQOSA-N 411.510 1.496 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C 1538970216 AWHLNCYAURUKJT-QAETUUGQSA-N 411.572 1.797 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(N)=O)C1 1539101703 GGNQTIRXDPJMGR-OAHLLOKOSA-N 401.492 1.074 30 10 HDEE CC(C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1cccc(F)c1 1539118681 QADOATVLHPLBOV-ORAYPTAESA-N 417.466 1.540 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1539265685 JGNLGPUCANWJGV-NSHDSACASA-N 421.267 1.241 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CSCCS1 1539421036 OPESTNNTSQSYBJ-HNNXBMFYSA-N 409.581 1.335 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccn(CC)c2=O)CC1 1539446812 JRGPDJMDKOLEOP-IBGZPJMESA-N 410.522 1.505 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(O)CCCCC2)CC1 1539490449 VPHGSCOSIFKNCQ-UHFFFAOYSA-N 403.527 1.476 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 1539519431 HSYNZUMAGIROLI-OAHLLOKOSA-N 401.540 1.605 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)C(C)(C)C 1539556380 CCLYRQYLGJABOR-FOIQADDNSA-N 421.567 1.335 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1539976662 CBSDQFNUGUEBIT-QGZVFWFLSA-N 416.526 1.308 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1 1540549958 DEYHZRHQKIZCMK-VQTJNVASSA-N 417.469 1.536 30 10 HDEE CC[C@@H]1CN([C@H](CC)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CCO1 1540590947 HBLQUYXVZRFXID-SJLPKXTDSA-N 401.511 1.962 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1540875158 CPNVQAAXQZLQNR-UHFFFAOYSA-N 403.405 1.465 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H]1COc2ccccc2O1 1540875936 CHMPHDNANXVWKC-MAUKXSAKSA-N 413.478 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540903363 CBWLENOCKYBQOL-HZPDHXFCSA-N 405.524 1.478 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)N(C)C 1541840324 IBQQCVNVHRRPPG-ICSRJNTNSA-N 423.565 1.925 30 10 HDEE N#Cc1cn(CC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)c(=O)nc1O 1543338457 AGZGNTAWTSOGSS-UHFFFAOYSA-N 421.388 1.528 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CNC(=O)NCC)cc2)c1 1545095263 OMBKIKWAGKHSTM-UHFFFAOYSA-N 414.487 1.670 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1545322907 ACCFVNAWAGVSHD-CABCVRRESA-N 411.510 1.651 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1545929274 VRMJDDVGCHJRGQ-DLBZAZTESA-N 420.514 1.121 30 10 HDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1546026154 FNZCATWDRWJXTP-KRWDZBQOSA-N 412.494 1.319 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1547312644 AGDCUZMFFWJLMG-NRFANRHFSA-N 407.478 1.011 30 10 HDEE CO[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555147247 KMWCCSGQIHWALD-HYEKCJMVSA-N 402.499 1.717 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1555421850 ZRRMVAFTKBMBNS-VXKWHMMOSA-N 424.505 1.463 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CCS(=O)(=O)c2ccccc2)CCO1 1555992820 CILBNQYISZARJN-INIZCTEOSA-N 401.492 1.748 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)C1 1556640228 DGKCVBBKDGMDJP-CALCHBBNSA-N 419.323 1.736 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c(N)c1 1557484641 XALJWPBYQXQRKW-UHFFFAOYSA-N 404.517 1.958 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc([C@H]3NC(=O)NC3=O)cc2)cc1 1557697684 DMHPJWMDMSSTGV-MRXNPFEDSA-N 414.443 1.284 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1559661199 PCGCTESHZFBMSJ-ROUUACIJSA-N 421.453 1.295 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)c(F)c1 1565010658 WTEGBQOJZCXGAJ-UHFFFAOYSA-N 418.436 1.976 30 10 HDEE C#CCOc1ccc(CNC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 1569240654 JUARJXAUQSOTFU-UHFFFAOYSA-N 414.483 1.886 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1O)c1ccc(Br)cc1 1569674179 WUFTXWFNENZXFJ-CQSZACIVSA-N 409.261 1.906 30 10 HDEE COC(=O)[C@@H]1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]2CCCC[C@@H]12 1585636781 NNYVNDVXMGMJJQ-SQWLQELKSA-N 419.503 1.305 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)o1 1585660321 JVYBUXSWWYOWOT-MGPUTAFESA-N 411.439 1.741 30 10 HDEE Cc1ccc(NC(=O)Cn2cc(C#N)c(O)nc2=O)cc1I 1587203418 LCNKTURXSGGHSQ-UHFFFAOYSA-N 410.171 1.372 30 10 HDEE CC1(C)[C@@H](O)[C@H]2CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@H]21 1587227189 HNJQGRLJMZNSBZ-QGTPRVQTSA-N 405.520 1.513 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587657906 XDFKFAQGMZTTOE-JQHSSLGASA-N 405.568 1.893 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cnn(CC(C)C)c1C 1588074461 MZEUEPAICASINC-UHFFFAOYSA-N 407.522 1.796 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](CC)OC 1588124820 SLILBBYQKYICOU-INIZCTEOSA-N 404.474 1.690 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c([N+](=O)[O-])c1 1595783788 VREWZNRFSLENGU-UHFFFAOYSA-N 418.475 1.731 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C)[C@H](C)C1 1595821614 BYIPTZTXWVCAJR-JKSUJKDBSA-N 409.556 1.484 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)c2ccn(-c3cccc(C#N)c3)n2)CC1 1596602878 FEZPTJHCQZPNDG-UHFFFAOYSA-N 401.492 1.724 30 10 HDEE C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781080 MPQILNGSQLMHMS-GDBMZVCRSA-N 418.494 1.260 30 10 HDEE CN(CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@](F)(C#N)C1)C1CCCCC1 1618271458 RPPKLFVMKIFMKU-OXQOHEQNSA-N 403.506 1.936 30 10 HDEE C#CCn1cc(CNC(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)cn1 1618807269 LAMSBZCRTYOFGS-UGKGYDQZSA-N 410.474 1.949 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1624893861 LVYLGRGXMDCLKA-KRWDZBQOSA-N 412.421 1.354 30 10 HDEE N#CC1(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CCCCC1 1629555560 YCBOLKPRBNOGFG-WBVHZDCISA-N 409.483 1.540 30 10 HDEE C[C@@H]1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC[S@]1=O 1632873126 AOOGCOMWVUUVBQ-MPYLNFMMSA-N 402.476 1.133 30 10 HDEE COc1ncc(Br)cc1CNC(=O)CNC(=O)c1ccc(C#N)cc1 1633095187 BJRNQSJZNFNBCZ-UHFFFAOYSA-N 403.236 1.771 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ccccn1)C(=O)NCc1ccc(C(=O)NO)cc1 1634104841 NZFRHDUHKYLVOH-QGZVFWFLSA-N 414.462 1.953 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cn3cc(C=O)c(-c4ccccc4)n3)CC2)c1C#N 1638692432 UHRRTGQLNDWBLA-UHFFFAOYSA-N 417.473 1.625 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1 1639961611 FZKRXCJXNGLCAB-SFHVURJKSA-N 423.441 1.697 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2cc(Br)c3ncc(C=O)n3c2)CC1 1640588465 KOWDHVZQCQMYKK-UHFFFAOYSA-N 419.235 1.828 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)cc1B1OC(C)(C)C(C)(C)O1 1642158318 QKKMKHCESFSBLP-IAGOWNOFSA-N 400.284 1.024 30 10 HDEE C=CCCO[C@@H](C)C(=O)N1CCN(c2ncc(I)cn2)CC1 1642263978 PRIRFWDUZOIEHZ-LBPRGKRZSA-N 416.263 1.711 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)C1 1643855660 YRDCKXOJEAXQPX-WCXIOVBPSA-N 410.536 1.528 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1644428477 DZNLVWSFYDUTHA-UHFFFAOYSA-N 406.442 1.207 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)CCOCC1 1645729533 GHFWCDUPBQGCJT-UHFFFAOYSA-N 408.524 1.116 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccs3)C2)nc1 1646096454 URYZEQDLSPDYHE-OAHLLOKOSA-N 419.532 1.786 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)OC)c1 1647351809 YBQLSLXCLLLSTJ-QGZVFWFLSA-N 406.504 1.697 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C1 1647924272 WBTBSPIBRVAOCQ-HOTGVXAUSA-N 410.515 1.722 30 10 HDEE COCC[C@@H](NC(=O)OCc1ccccc1)C(=O)NC[C@H]1CCCN(CC#N)C1 1654363273 QPISJPDJMSXJTB-RTBURBONSA-N 402.495 1.670 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(OCCS(=O)(=O)CC)cc1 1656483683 YAFUIDSBKCKBEG-UHFFFAOYSA-N 403.547 1.239 30 10 HDEE C=C[C@H](CO)NC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1657991359 YAOOHUMQUINUIU-QGZVFWFLSA-N 410.478 1.036 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)[C@@H]1CCCO1 1663478250 QBJZGQYHRKGYPS-ROUUACIJSA-N 404.492 1.550 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(S(=O)(=O)NCCOC)cc1)c1ccccc1 1666450423 OMDFVINZDFPCKD-IBGZPJMESA-N 401.488 1.785 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N(C)Cc1cccc(C#N)c1)CCS2(=O)=O 1676627692 ZMXDGUPZCHHYRW-OHTSDLOESA-N 419.503 1.599 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1680436190 YFBBQPMOBRNEHW-BBWFWOEESA-N 420.539 1.257 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)NCCn1cc(Br)ccc1=O)C2 1682959492 CAXSYENBBBMYQP-MRXNPFEDSA-N 401.264 1.949 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1683324104 QTVZVDOUGRIQMQ-BOFXEDATSA-N 416.547 1.334 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1683559742 CJNQIRRGLYPEAO-UHFFFAOYSA-N 401.434 1.232 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1687206016 KGKKVBATDBVVGX-GFCCVEGCSA-N 412.288 1.118 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)C2CCCCC2)CC1 1690124856 VVHPROLHTMYVIX-GOSISDBHSA-N 414.554 1.328 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H](C2CC2)N(C)C)CC1 1690142880 WMVDSWJWZDALLP-HXUWFJFHSA-N 423.565 1.590 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCS(=O)(=O)CC1 1690477023 XKAJFUZKFXCNES-UHFFFAOYSA-N 414.495 1.122 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1)C1CC1 1690543721 NPJQOPZJSSILOC-HNNXBMFYSA-N 407.540 1.741 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1690663240 QNXKZDVRDJETOU-OAHLLOKOSA-N 407.478 1.176 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1690678070 JPKAKAAEKACQAW-YWZLYKJASA-N 407.515 1.236 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1692660668 DWUDPIQHNJJINZ-ZIAGYGMSSA-N 420.477 1.209 30 10 HDEE CCN1CCN([C@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695867612 FUUOTUHTPGTTCN-MSOLQXFVSA-N 410.526 1.095 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CC#N 1696496754 KNYBPAKRRLIAGV-OAHLLOKOSA-N 405.528 1.716 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1696582246 CYYCHDREXFSXKM-KRWDZBQOSA-N 416.457 1.593 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCC(=O)N(C)C 1705482215 VBTCYJJHAMQKGC-HNNXBMFYSA-N 417.535 1.675 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1705564864 RHDPGKAFDZTHPC-QGZVFWFLSA-N 416.551 1.307 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)C(=O)NC 1705590467 MCDLYJMUQAASHK-OAQYLSRUSA-N 401.511 1.165 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCOCC1 1705590988 BQJPIJGFYBWFTB-UHFFFAOYSA-N 409.446 1.858 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CC(=O)Nc2ccc(F)cc2)CC1 1705637974 SXCRJOCQFFTTPR-UHFFFAOYSA-N 419.464 1.873 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCOC[C@@H]2OC)CC1 1705640880 JNNGHWMZCIBVAL-YADHBBJMSA-N 423.561 1.984 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2nccc(C(F)F)n2)CC1 1705641159 URTSWKYTXLUDEJ-UHFFFAOYSA-N 424.459 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(OC)cc2)CC1 1705652589 FTHNPRQSHZCEFE-UHFFFAOYSA-N 411.506 1.837 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(C)=O)C1 1705679053 ADYWYBVQFDMPKL-CYBMUJFWSA-N 413.320 1.430 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1705900076 PIWMCWJCFQSKON-UHFFFAOYSA-N 411.510 1.557 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1705908930 JITGOAVDRMFGLY-RZQQEMMASA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705930226 ITWUFUAQEYXSHI-CQSZACIVSA-N 404.558 1.016 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)C1 1705947976 DZUWPKLZGYWDHW-UHFFFAOYSA-N 420.564 1.467 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1709184331 ZOXZLCWHMVTEBR-IBGZPJMESA-N 405.506 1.793 30 10 HDEE COCCN1C[C@@H](Cn2c(CC(C)(C)C)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1712471200 BBMKZSFMCRQZOV-MGPUTAFESA-N 406.506 1.804 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(OCCOC)CCOCC1 1722291833 FGPZGJCURQXUFW-ZWKOTPCHSA-N 406.527 1.842 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1722332740 OHAPOTNTRDKIDF-KRWDZBQOSA-N 400.527 1.922 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCc1nnc(C)s1)[C@@H]1CCS(=O)(=O)C1 1722358496 IMUDUNKHJQZXJM-OAHLLOKOSA-N 422.580 1.821 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC)[C@H]1CCS(=O)(=O)C1 1722363513 GDUFCEJMZIKNLX-QFBILLFUSA-N 410.540 1.355 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccc(C)c1 1722371041 RQANIKOIFROSNM-UHFFFAOYSA-N 418.501 1.325 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@](C)(O)c1ccccc1 1722398181 RQAHMFOZPHSVFH-CVDCTZTESA-N 405.502 1.990 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H](COC)OC)CC1 1722448564 ZFIMUAKMPIQDEO-QGZVFWFLSA-N 405.543 1.494 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1(C)C 1722555394 KERACYZWBUWYAT-CYBMUJFWSA-N 403.936 1.742 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](CC)N2CCCC2)CC1 1722559665 DNNILDBYCGTQFL-IRXDYDNUSA-N 410.588 1.919 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1722630719 PXFSFQNPLAIEFU-UHFFFAOYSA-N 404.496 1.372 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)OC)CC1 1722697048 HPTBXGYHMMTPAA-UHFFFAOYSA-N 423.477 1.617 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)C1CC1 1722864483 ADVNOXNWOZRJNI-VBKZILBWSA-N 407.482 1.678 30 10 HDEE CS(=O)(=O)CCN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1)C1CC1 1731006250 SXZRYVPXEZHFAB-UHFFFAOYSA-N 401.492 1.355 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC(C#N)CC1 1731006819 ABNFYKXNBDXZTR-UHFFFAOYSA-N 403.464 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCCOC 1740636919 IIGAFQVRRCRUJZ-UHFFFAOYSA-N 405.462 1.220 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)C1 1740762543 FHOGBBIOVJDAQK-FXAWDEMLSA-N 413.526 1.399 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740956339 PDXFCGHGXQLWJR-MRXNPFEDSA-N 417.535 1.569 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C2CC2)N(C)C)C1 1740984259 YTZQGANXBZCIQW-QZTJIDSGSA-N 402.543 1.522 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@H]1C 1748752453 XOAOZSIBJNLAOV-FGTMMUONSA-N 403.527 1.563 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1CCNS(=O)(=O)c1ccccc1 1748834618 QYLGNUXLDSVPSN-UHFFFAOYSA-N 423.498 1.898 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)c2ccc(F)cc2)CC1 1748991202 SKAGDEBBKGZAIV-QFBILLFUSA-N 410.497 1.927 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1749047610 ARLQVLOHPVISRN-UHFFFAOYSA-N 420.583 1.909 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1749487814 RGILCUYKCZSODB-QGZVFWFLSA-N 412.494 1.058 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N(C)Cc1cnccn1 1749668936 GQQIZJDVAIKLRV-GOSISDBHSA-N 421.461 1.519 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCCS2(=O)=O)C1 1749705566 JIYCPLZQISRVPM-JKSUJKDBSA-N 418.523 1.484 30 10 HDEE Cc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)o1 1751467503 BMHXNVGXZACDOV-UFOSLELVSA-N 412.450 1.598 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@]2(C)CN(C3CC3)C2=O)c1 1760125065 DDFZBHZELJBPDJ-JOCHJYFZSA-N 406.490 1.654 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760151582 HKVUJJGTPJUHHB-KRWDZBQOSA-N 417.539 1.096 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN(C)CCOC 1760214187 FEKBOFVKKTUCMR-UHFFFAOYSA-N 423.517 1.757 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1760227656 JWTXDQXCSJRQCD-QFIPXVFZSA-N 419.570 1.889 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760307612 SZKOPSDGWJXXLY-MGPQQGTHSA-N 410.316 1.796 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCNC(=O)CC1 1760323105 AQUOIZJVNDPSEH-HNAYVOBHSA-N 416.551 1.941 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1760354674 JPMLUTUITHNCAF-GOSISDBHSA-N 411.510 1.973 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCC[C@H](C)C1 1760522092 LRKJPNPQYNXWFP-XHSDSOJGSA-N 409.556 1.497 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1760565153 OXEKYSFNFHQYBA-KRWDZBQOSA-N 422.599 1.649 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568654 OUEFXGYZDDLVFC-JXFKEZNVSA-N 423.583 1.905 30 10 HDEE C[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1)N(C)C 1761394277 VHGHLMFOFCSAQL-HNAYVOBHSA-N 424.509 1.980 30 10 HDEE Cc1cccc(-c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)n1 1761945835 SHXGOXSWWUPMOY-KKSFZXQISA-N 422.493 1.767 30 10 HDEE CCN(C)c1nnc(COc2ccc(F)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1766407851 QNLNRCYOSRNAJZ-HNENSFHCSA-N 414.441 1.979 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCNC(=O)C(C)C 1766409124 QGQCSTZPDBVJDT-QGZVFWFLSA-N 403.531 1.153 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(F)(F)C3)n2C[C@H]2CCC(=O)N2)cc1 1770738898 RQMMWGALBGCYKU-CQSZACIVSA-N 402.405 1.853 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CC2=CCCOC2)c1 1770748522 VIPAPBLAUUBCBY-UHFFFAOYSA-N 422.489 1.634 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1771056096 KKZCUVOUPJFHDY-UHFFFAOYSA-N 410.478 1.576 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)C2)cc1=O 1849115232 NGHWZXWTNQKZFQ-GOSISDBHSA-N 421.501 1.938 30 10 HDEE COc1ccc(-c2cc(=O)n(CC(=O)Nc3nc4n(c3C#N)CCCC4)cn2)cc1 1850610764 SXTFAGCJXDBXMU-UHFFFAOYSA-N 404.430 1.962 30 10 HDEE COc1ccc(N2C[C@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1851165759 QKUKEDRHZQLIJJ-CRAIPNDOSA-N 408.414 1.678 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccccc4F)n3[nH]2)CC1=O 1852330234 CQPKUGBFOHOTPA-UONOGXRCSA-N 424.436 1.798 30 10 HDEE CC(=O)N1CCN(CC(=O)N(c2ccccc2)c2nccc(N(C)C)c2C#N)CC1 1852573707 KDDFBAGWUOMHGO-UHFFFAOYSA-N 406.490 1.848 30 10 HDEE N#Cc1cc(Cl)c2nc(C(=O)N3CCN(Cc4nnc5n4CCCC5)CC3)cn2c1 1853009807 VROQAADALZXKSV-UHFFFAOYSA-N 424.896 1.745 30 10 HDEE Cn1cccc1C(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)NOCC(F)(F)F 1853468596 JAGKRVDJAFMJMF-UHFFFAOYSA-N 416.381 1.739 30 10 HDEE CC(C)C(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CCC1=O 1854366323 FRBSOUGQUPEJRI-SFHVURJKSA-N 402.539 1.882 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CCCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885243 UFPUCLGWALZJPG-FUHWJXTLSA-N 416.501 1.761 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)CCN1CCC#N 1856189751 VLIOSXKSLYRIOA-LBPRGKRZSA-N 401.467 1.845 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)[C@H](F)C3CCCC3)C2)C1 1856386433 OHNJAWBLFKPJGS-VBKZILBWSA-N 400.454 1.920 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C(=O)O2)CC1 1856604118 SVSVJYBOTRVIMU-HNNXBMFYSA-N 411.867 1.866 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H]3Cc4ccccc43)C(=O)O2)CC1 1856635892 VYTSZNKYOGFSFB-IRXDYDNUSA-N 403.460 1.239 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(Cc3cn(C)nn3)c3ccccc32)CC1=O 1856732686 YCNPPDQWXWYUSF-OAHLLOKOSA-N 408.462 1.120 30 10 HDEE CCn1ccnc1CN1CC[C@H](N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)C1 1856846581 ARYWOPAPMJNDDF-IBGZPJMESA-N 406.490 1.334 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C3CC3)n(C)n2)C1)[C@@H]1CCN(C)C1=O 1857075012 VXXONLCOSUWDFZ-MAUKXSAKSA-N 413.522 1.395 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)C1CCCCC1 1857107119 NXPVLTBVCQMLOU-OAHLLOKOSA-N 403.504 1.823 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127662 VDOWDDRBJRWBTR-SFHVURJKSA-N 400.523 1.802 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2C 1865226656 ZJSIMVFQXWEAEI-KRWDZBQOSA-N 410.474 1.445 30 10 HDEE C=CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCN(CC)CC2)cc1=O 1870387955 AJDFSOBKMHGCSP-UHFFFAOYSA-N 420.535 1.246 30 10 HDEE C#CCOc1cn(CCCOC)c(CNc2ccc3c(c2)C(=O)N(C)C3=O)cc1=O 1871005720 UXQSDLVOQHRHNK-UHFFFAOYSA-N 409.442 1.735 30 10 HDEE COC(=O)c1[nH]c2cc(OC)cc(OC)c2c1/C=N/n1c(SC)nncc1=O 1873498232 XLOAHWOIFZMVAF-FBCYGCLPSA-N 403.420 1.528 30 10 HDEE C#CCO[C@@H]1CCN(C(=O)[C@H]2OCC(=O)N(C(C)C)[C@@H]2c2ccc(OC)cc2)C1 1890964233 SRZNSHWQIAWSHO-NRSPTQNISA-N 400.475 1.623 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 1903642181 KLPQQUGPZSAWKQ-LBPRGKRZSA-N 411.283 1.239 30 10 HDEE C#C[C@@]1(O)CCCN(C(=O)[C@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1984733666 INEQAIBIZRKIRI-WMZHIEFXSA-N 415.534 1.998 30 10 HDEE Cc1cc(C#CCO)sc1CNS(=O)(=O)N1CC(OCc2ccccc2)C1 2161936396 FNHLYXIBRVHXOI-UHFFFAOYSA-N 406.529 1.636 30 10 HDEE C=C(CNC(C)(C)C)CN1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@@H]21 2165101495 DXVXKTQJFCJARL-HOTGVXAUSA-N 401.573 1.649 30 10 HDEE C[C@](CNC(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)(CC(=O)O)C(F)F 2180573158 BQSHWQMWRKIJNW-NXEZZACHSA-N 402.238 1.848 30 10 HDEE C[C@H](CNC(=O)C#CB1OC(C)(C)C(C)(C)O1)N1CCN(C(=O)OC(C)(C)C)CC1 2247813419 WJUVMQZRBPQTHV-MRXNPFEDSA-N 421.347 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247830852 UDRWUZZWPUOHSG-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE CN(C[C@H](O)COCc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247863167 NCXABJXUSKXRPF-SFHVURJKSA-N 414.311 1.964 30 10 HDEE CN(C[C@H](O)CNC(=O)OC(C)(C)C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247922064 ASJLLMUIZAXGGA-CYBMUJFWSA-N 424.303 1.536 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@]2(CCOC2)C1 2247933469 XOHSQMZJAHXXKN-VFNWGFHPSA-N 420.315 1.906 30 10 HDEE C#CC[C@@H](CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2270535108 UBHGEZZUNJZGRK-ZWKOTPCHSA-N 422.503 1.423 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCCC1 2270538864 LBCDSCSYNDMOAF-ROUUACIJSA-N 422.503 1.868 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CC[C@@H]2SC(=O)C=C2C1)[C@H](O)C(F)(F)F 2280098703 WXEJOPVMTFPJCN-DLOVCJGASA-N 410.414 1.604 30 10 HDEE CC1(C)OB(c2ccnc(N3CCSC[C@@H]3S(C)(=O)=O)c2F)OC1(C)C 2280755929 ADLLKFDFLQFHLD-LBPRGKRZSA-N 402.322 1.444 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282312387 WCWIJFUOILHGCC-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H](CO)C(C)C 2282313017 FDZVTTBBZAZIMK-CYBMUJFWSA-N 403.375 1.899 30 10 HDEE CO[C@]1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282331702 QXJJNWFEHNYJPC-INIZCTEOSA-N 403.331 1.131 30 10 HDEE C[C@H]1NCC[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282416236 SNCBAYCHAGDGGK-ABAIWWIYSA-N 400.737 1.668 30 10 HDEE COCCCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282492089 NJWWONUNFCBWDA-UHFFFAOYSA-N 404.363 1.631 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCOCCF)c1B1OC(C)(C)C(C)(C)O1 2282499488 CUOGYXZJYVNAHU-UHFFFAOYSA-N 407.338 1.929 30 10 HDEE CCCN1CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282505138 ZGRSJVXDTVHCAW-UHFFFAOYSA-N 400.375 1.561 30 10 HDEE Cn1nc(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)cc1F 2282507970 OVQYFKSHAJCLRH-UHFFFAOYSA-N 401.294 1.862 30 10 HDEE CCc1nc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282524762 GEAJRVOGPXGVBF-KPHLJTLVSA-N 400.375 1.844 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3[C@@H]4CS(=O)(=O)C[C@@H]34)sc2Cl)OC1(C)C 2282624090 KDTKZVAFNJXBJD-RKDXNWHRSA-N 417.745 1.474 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882020 GKERWTKJXNOYTC-AWEZNQCLSA-N 401.359 1.794 30 10 HDEE COCCN(CC(=O)O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2284471005 JBNRSFQXZKMDNU-UHFFFAOYSA-N 403.693 1.874 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)C#CC1(S(C)(=O)=O)CC1 2341978271 JDZFFMREBFBZBT-UHFFFAOYSA-N 410.087 1.708 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2342036978 JAFYHCBFYMQKFN-HUUCEWRRSA-N 403.566 1.918 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365173476 UEJCUOGQMUBQBN-LJQANCHMSA-N 401.525 1.780 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 2365198677 HZWBJVSDLLVFRC-BZUAXINKSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@H]([C@H](N)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367791900 ZZMJUVGNXGCROB-HASVCBABSA-N 404.479 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]1(C)[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813928 HFBANHYVKHLRTE-RVKKMQEKSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367814571 JPMOJTQDVZTQRR-KHYOSLBOSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C[C@](C)(N)C#CC1(S(C)(=O)=O)CCC1 2367819950 PYNGNTVGNZUWAA-MAUKXSAKSA-N 400.541 1.701 30 10 HDEE Nn1c(N/N=C/c2ccc(O)cc2O)nnc1SCC(=O)NCc1ccccc1 20292327 ZGKYGXYWJXENRO-UFFVCSGVSA-N 413.463 1.258 30 10 HDEE Cc1c(/C=C2\SC(=S)N(C)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 33385997 GHVQTFUJLKGXAW-ZROIWOOFSA-N 403.533 1.148 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(N(CC#N)CC#N)c2N)cc1 40736561 BBIQWRNOADPXKA-UHFFFAOYSA-N 414.495 1.686 30 10 HDEE C=CCN1CCN(C2CCN(S(=O)(=O)c3ccccc3CC)CC2)C(=O)C1=O 64835512 BYBWDYZXDSILLP-UHFFFAOYSA-N 405.520 1.259 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H](C)n1cnc(C#N)n1 409563272 QJNRJSGTEOVTSJ-LLVKDONJSA-N 405.256 1.879 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2cc(-c3ccncc3)n[nH]2)c1 440093919 VEFUCDXECPNEKS-UHFFFAOYSA-N 411.487 1.909 30 10 HDEE Cn1cc(S(=O)(=O)NC2CCC(Oc3ncccc3C#N)CC2)cc1C(=O)O 445555577 CLQXZCILSPPHEI-UHFFFAOYSA-N 404.448 1.658 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)c1cnn2cc(Br)cnc12 461297243 BTYSIPPMQUXLRH-UHFFFAOYSA-N 423.234 2.505 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCC[C@]34NC(=O)NC4=O)cc2)nc1 465371041 LMUOVPHXDZHHNZ-VFNWGFHPSA-N 405.414 1.854 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC(=O)N1Cc1ccccc1 466846379 PEOLVJPCDGOUGS-XLIONFOSSA-N 418.501 1.974 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)s1 468951440 KEHXELDJAKAQDD-UHFFFAOYSA-N 405.505 1.450 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 479034424 JKZPWIVRRHDEJX-IRXDYDNUSA-N 422.503 1.947 30 10 HDEE CC(C)CN1CCO[C@@H](CNC(=O)Cn2cc(C#N)c(=O)c3cc(Cl)ccc32)C1 502859315 UTQQEOZJGWAPNK-KRWDZBQOSA-N 416.909 2.000 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)C[C@@H](C)O1 507271189 VCXFCLZAHFCENV-CALCHBBNSA-N 406.490 1.924 30 10 HDEE C=CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508788899 FGUMTYWJSARLSK-UHFFFAOYSA-N 412.519 1.799 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC[C@@H](C(=O)N3CCOCC3)C2)cc1 509199547 YCNSFHSLURWLGH-QGZVFWFLSA-N 400.479 1.705 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(C(=O)N3CCCCC3)CC2)CC1 512443261 ACUAYEFHSLYYHC-FQEVSTJZSA-N 403.571 1.403 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)o1 514307481 WEVNOVROXUDQEM-UHFFFAOYSA-N 409.442 1.721 30 10 HDEE N#CC1(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CCCC1 519111200 CNTNSQXBLVHQGG-CQSZACIVSA-N 406.464 1.948 30 10 HDEE C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)N1CCN(c2ncccc2C#N)CC1 525248212 DWWBWMGZKWQPPO-QGZVFWFLSA-N 421.501 1.594 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1)C1CC1 533138201 UUGSEJBDHCOCOF-HNNXBMFYSA-N 408.499 1.283 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 540469341 QGEFVVZQVAWODT-SZVBFZGTSA-N 401.486 1.120 30 10 HDEE CN(CCC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccncc1 540929176 LQZMUXRPVXTVPZ-UHFFFAOYSA-N 413.503 1.313 30 10 HDEE C=CCn1c(C)nnc1S(=O)(=O)CC(=O)NCc1cnn(-c2ccccc2)c1 583673522 UAQRKWCQGRJVDA-UHFFFAOYSA-N 400.464 1.048 30 10 HDEE Cc1cc(C)n(-c2cc(NCCNS(=O)(=O)c3ccccc3C#N)nc(C)n2)n1 585422663 DRKRGTXTSJRWQH-UHFFFAOYSA-N 411.491 1.850 30 10 HDEE CN(C)CCNC(=O)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673869 VTWCRVBXRLDMLH-FORZUALWSA-N 421.457 1.313 30 10 HDEE C=C(C)CN(CCCNC(C)=O)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586154107 WTAPCGDYSQDPCI-UHFFFAOYSA-N 423.535 1.915 30 10 HDEE C[C@@](CNC(=O)c1cccc(C#N)n1)(NC(=O)c1cccc(C#N)n1)C(F)(F)F 589797831 VDMYDVYGTXRPPA-KRWDZBQOSA-N 402.336 1.701 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 590914030 ORKDRVUNGKTGHR-CQSZACIVSA-N 417.556 1.488 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 605408249 RVGQDWAXZXWUGC-SFHVURJKSA-N 415.494 1.256 30 10 HDEE CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN1CCN(c2ncccc2C#N)CC1 619510138 ULHRWPVZMJAPIB-LJQANCHMSA-N 421.501 1.764 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)c(C#CCCO)c1 707410017 MSBBAMDGVFPJFG-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1csc(I)c1 732152491 CJPRUKDLONCCRL-QBFSEMIESA-N 417.228 1.609 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC[C@H](c3ccc(Cl)cc3)C2)c1=O 732187060 GFSSRYLYXPAJPP-INIZCTEOSA-N 402.882 1.644 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 733674063 DCKSECWLYOMZAN-UHFFFAOYSA-N 407.492 1.338 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(C(=O)NC[C@H]2CCCO2)c1 742396884 IKJLFXNDNAKRBA-QGZVFWFLSA-N 414.487 1.727 30 10 HDEE N#Cc1cc(COC(=O)c2cc(S(N)(=O)=O)c(Br)s2)ccn1 747046255 JFDGYBWQNWJFGN-UHFFFAOYSA-N 402.251 1.782 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCSC)c2=O)cn1 751820789 SKDSVPUKMLXCHT-UHFFFAOYSA-N 416.572 1.752 30 10 HDEE C=C(C)CN(CC)C(=O)[C@@H](C)OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 754351087 NPMOAIRQACIORI-CYBMUJFWSA-N 416.478 1.165 30 10 HDEE N#Cc1c(N2CCC3(CC2)C[C@@H]3C(=O)N2CCCCC2)cccc1S(N)(=O)=O 755019396 KPAZKAXBTFGHQR-MRXNPFEDSA-N 402.520 1.825 30 10 HDEE CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 760013042 FSGNBSWYSMSMDL-NXVVXOECSA-N 410.427 1.267 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCSC[C@@H]2c2cnn(CC)c2)c1 763659933 JFCNJOYDTWAQBT-GOSISDBHSA-N 418.544 1.745 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 767703039 JIEICYROWHPUGU-OAHLLOKOSA-N 412.483 1.804 30 10 HDEE C=C(C)C[C@H](C)C(=O)NS(=O)(=O)c1ccc(CCNS(=O)(=O)CC)s1 768009449 CTVSTOJMSVHCPH-LBPRGKRZSA-N 408.567 1.637 30 10 HDEE O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCCN/C(O)=C1\N=CC=CC1=O 768077293 CAQAXWZGVPGYQN-QZQOTICOSA-N 413.430 1.453 30 10 HDEE C#CCN(C(=O)NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774173290 WARHVOLCFAHDJN-CQSZACIVSA-N 404.410 1.916 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C2(c3ccc(C#N)cc3)CC2)CC1 780428902 WENOLJDRIBUOLY-UHFFFAOYSA-N 412.490 1.785 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCc3nnc(-c4ccc(F)cc4)n3C2)CC1 780907015 IJDIJZBOKCRHKQ-GOSISDBHSA-N 424.480 1.570 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)c1cc2c(cc1Br)NC(=O)CO2 782401979 JOCFCUJRHFVXBE-UHFFFAOYSA-N 410.224 1.699 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3CCCC3=O)cc2)n1 788895319 YWZKJWJOHJRZHJ-UHFFFAOYSA-N 423.517 1.997 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2c(O)nnc(CC)c2CC)n1 789129378 ZWPVWYGSMISUME-UHFFFAOYSA-N 400.483 1.495 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(S)nc3ccccc3c2=O)n1 791013245 WEJZFLILHFWULN-UHFFFAOYSA-N 411.487 1.190 30 10 HDEE C=CC[C@]1(C(=O)OCC(=O)N[C@H](C)C(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 791718657 YHPHCFISBXJZLX-JLTOFOAXSA-N 411.499 1.468 30 10 HDEE CCOC(=O)c1cnn(C2CCN(Cn3nc(CC#N)n(C)c3=S)CC2)c1C 795641737 LLTCKIBRZMJXPH-UHFFFAOYSA-N 403.512 1.993 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804162154 FPVSXZHFGFZCJA-CQSZACIVSA-N 404.442 1.687 30 10 HDEE Cc1ccc(CN2C[C@@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 916775629 YQZZMGLCXSJEQB-IBGZPJMESA-N 411.483 1.861 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 921020163 GPBJSKFVAHASMO-QGZVFWFLSA-N 416.482 1.435 30 10 HDEE CCOC(=O)c1c(NC(=O)COCCNC(=O)c2ccccc2)c(C#N)cn1CC 1129832916 FRTRCAOFFKDLQH-UHFFFAOYSA-N 412.446 1.941 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](COC)c1ccc(Cl)cc1)c1cc[nH]n1 1139432141 SSGGGAWTUMITAA-HNNXBMFYSA-N 408.842 1.851 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](C(N)=O)(c3ccccc3)C2)cc1 1142252092 SLQYRCQFKAFHNM-OAQYLSRUSA-N 413.499 1.420 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1cnc(I)c(O)c1 1146248238 VTQNHAHYCCHELP-UHFFFAOYSA-N 416.215 1.809 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H](O)Cc1cccc(Cl)c1 1154068805 CZCONKDOTNRBQH-DYVFJYSZSA-N 421.906 1.598 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(C)(C)CN1CCOCC1 1161560267 AJGYOCSWEKJISO-UHFFFAOYSA-N 408.524 1.061 30 10 HDEE COCCN1CCC[C@@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1162618967 HMANLDIBRBGFQI-QGZVFWFLSA-N 421.339 1.984 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](n2nncc2I)C1 1175733482 UDAUTHXTWIXPLY-UTUOFQBUSA-N 402.236 1.637 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](CO)(C(F)(F)F)C2)s1 1177399594 YWWNBRFPEXCADP-AWEZNQCLSA-N 412.455 1.528 30 10 HDEE N#Cc1cc(NCc2ccccc2CS(=O)(=O)N2CCOCC2)nc(C2CC2)n1 1184848305 ZWZADYSIOKLJBQ-UHFFFAOYSA-N 413.503 2.000 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(C(N)=O)c(F)cc1Br)C(=O)OCC 1189087860 KJTKXXGTDBGJLB-LLVKDONJSA-N 423.260 1.473 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1199260219 BQRBKQDQNPRLPX-WMZOPIPTSA-N 402.495 1.795 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1211926527 GYOQHJQTSGBKRT-UHFFFAOYSA-N 420.512 1.167 30 10 HDEE CCN(CCCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)C1CCCCC1 1230685377 GXLVOFBWTKEFPE-UHFFFAOYSA-N 402.499 1.432 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1286347254 JAJSZYOUHZWZPI-PMPSAXMXSA-N 416.526 1.992 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C(CC)CC)N(C)C)[C@@H]1CCS(=O)(=O)C1 1286394943 PZSTXBCAWRTXKW-MSOLQXFVSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@H](C)CC2 1286408012 YWQROANPLWLFKK-GDBMZVCRSA-N 408.531 1.932 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCC[C@@H]1C 1286457090 GEPCAHJVMQCPJS-BWAGFHJFSA-N 420.554 1.956 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1286477250 UAVAGYBILQSBPS-GOSISDBHSA-N 406.494 1.386 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(F)(F)F)C1 1286781626 VXBGUCNWLHUAHU-LBPRGKRZSA-N 402.421 1.497 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1286810946 YDKXFFSNOPXHOI-DLBZAZTESA-N 410.540 1.388 30 10 HDEE Cc1cccc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CC(=O)N(C)C)n1 1289959671 LVBKIFDMMMRAAE-UHFFFAOYSA-N 418.461 1.272 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 1290880548 IOFIEOAVAHUZRK-TWMKSMIVSA-N 418.498 1.340 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCCC1 1290985305 GGKHDBSWBVLFIY-MRXNPFEDSA-N 424.505 1.701 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)c1 1291814556 OCXUQRGDVXIWRV-UHFFFAOYSA-N 409.446 1.851 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)c1OC 1293084100 NGJQPPCAMKNDLT-AWEZNQCLSA-N 405.451 1.757 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1294181035 UTUMBISQZHCJJV-KRWDZBQOSA-N 415.396 1.518 30 10 HDEE COc1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)ccc1OCC(N)=O 1300018135 BYMVTGSTQCIGKQ-GOSISDBHSA-N 408.458 1.782 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OCC)c1 1300272211 LUOVPJGSYTXMJE-HUUCEWRRSA-N 405.524 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H]1CCOC[C@H]1C 1300459839 JAPMPPSPUGHVOR-HZPDHXFCSA-N 416.551 1.980 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(OCCN(C)C)cc1 1300530132 ZQMGJGWOXWGLKZ-UHFFFAOYSA-N 417.517 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC=C 1300553421 IEEDMTNSTZOTMN-UHFFFAOYSA-N 418.501 1.912 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@@H]1CC 1300630923 JTMWSJKVAOORFZ-BZSNNMDCSA-N 423.583 1.897 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2nnn(C)n2)CC1 1301110035 RYBTUGVBKHLBGK-LJQANCHMSA-N 402.503 1.293 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1301270738 KOHYNNULEJHNBJ-GHTZIAJQSA-N 407.559 1.909 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CCO1 1301358830 DYZOEEYRLFTARR-MSOLQXFVSA-N 424.505 1.583 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1301498354 NCCJUUXZRWHTJL-UHFFFAOYSA-N 400.527 1.687 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1301612104 JSKQUGIAUIZBJR-MRXNPFEDSA-N 412.581 1.882 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 1302637636 JSLKHLRVTIRBID-MFCJXHMKSA-N 403.460 1.024 30 10 HDEE C#CC1(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CCCC1 1303027143 LOAMUOCVPUWISE-UHFFFAOYSA-N 406.504 1.969 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCN(C)C1 1303641941 FPTKWROVYCZXDO-YWZLYKJASA-N 402.474 1.801 30 10 HDEE CC[C@@H](CNC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C(=O)OC(C)(C)C 1313328913 VRGNCUXXEGIYIZ-GJZGRUSLSA-N 402.499 1.936 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1313968397 ZVERKZJOFPVCNC-AWEZNQCLSA-N 417.901 1.885 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(C#N)cc3F)c2)NC(=O)NC1=O 1322013723 UALMRBQIMWBINT-SFHVURJKSA-N 402.407 1.230 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C\c1ccc2c(c1)NC(=O)CO2 1356278164 PHCXSVZIPIUCHX-MFBWXBCUSA-N 404.430 1.430 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1358937851 JKPBRJDCRRGQMC-GJYPPUQNSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1358966343 MXLBHMSNAXMUFV-LJQANCHMSA-N 418.563 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCC[C@@H]1NC(=O)NC1=O 1359010405 OSBZDSLIOQIUAB-YOEHRIQHSA-N 424.461 1.238 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2cnn(C)c2)CC1 1359031637 JUZDYFUPFKMUIO-UHFFFAOYSA-N 421.505 1.499 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359036290 SJRUKGRLJMVJIQ-HXUWFJFHSA-N 422.533 1.276 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(C)CN(C)C2=O)CC1 1359040784 GKDVWAADSAVQII-BTYIYWSLSA-N 400.527 1.236 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1359048874 CUFJSBORPWQLEW-HZPDHXFCSA-N 413.613 1.924 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1359216348 VBTPSEVJDWXRNS-SFHVURJKSA-N 404.559 1.739 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC[C@@H](n2cncn2)C1 1359303349 KYIMVIKMNXXHTO-LJQANCHMSA-N 420.521 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359331470 AFHHTLXIDZQYLH-JKSUJKDBSA-N 407.540 1.251 30 10 HDEE C[C@@]1(c2ccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2)NC(=O)NC1=O 1456477911 RPJIPGDPNPNIIU-AVRDEDQJSA-N 404.426 1.827 30 10 HDEE N#Cc1csc(CNC(=O)CNS(=O)(=O)c2ccc(Br)s2)n1 1456482384 QTCBIEXRJQMYBJ-UHFFFAOYSA-N 421.323 1.433 30 10 HDEE C#CCN1CCN(C(=O)Cn2cnc3c(cnn3Cc3ccc(Cl)cc3)c2=O)CC1 1458980462 IDYSUYORZKJTSX-UHFFFAOYSA-N 424.892 1.072 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)nn1 1461058908 PEDSLZMMZHPIBK-UHFFFAOYSA-N 403.508 1.877 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CS[C@]4(C)CCC(=O)N34)c2C#N)C1 1461785397 GZQXGGGHEIRLNL-FZKQIMNGSA-N 404.517 1.917 30 10 HDEE C=C(Br)CNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1464583653 JSQFTGBMGTVMJP-IAQYHMDHSA-N 423.329 1.293 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C(C)(C)C1 1464923339 IDKUGVYPRQICSF-BVFVFODLSA-N 406.483 1.522 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CCOCC1 1464973005 UCBVXYXJJKFWGS-UHFFFAOYSA-N 400.479 1.651 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccn([C@@H](C)c3ccccc3)n2)CC1 1465864953 SWUFRLCQDQPHTG-INIZCTEOSA-N 416.507 1.110 30 10 HDEE C=CCCONC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1470615685 CCAKTNNUIUQPGX-UHFFFAOYSA-N 401.916 1.904 30 10 HDEE COC1(OC)CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@H]1O 1473751590 KLVXXCUEPDNZPK-MRXNPFEDSA-N 400.397 1.229 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1476026395 QSLCPMUVTYFUSO-KDCJFMNISA-N 406.508 1.785 30 10 HDEE C#CCNC(=O)N1CCC[C@@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1477500656 OLSLWZLJYQENHX-MRXNPFEDSA-N 416.526 1.989 30 10 HDEE C#CCC1(O)CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1478126380 QLRGNMWQBFWACE-SFHVURJKSA-N 401.463 1.369 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCCN(c4ccccc4F)C3)C2)c(=O)nc1O 1478354923 ILDCOCGDVZYQII-CQSZACIVSA-N 412.425 1.195 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1503275944 PXEHAMAUXPWYSX-UHFFFAOYSA-N 417.539 1.800 30 10 HDEE CNC(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2cccc(C#N)c2)C1 1503820140 RYAGLIHVXBGRMV-QZTJIDSGSA-N 410.478 1.715 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1Cc1nnn(C)n1 1504887936 GIXWXDBHKORJNE-UHFFFAOYSA-N 417.424 1.085 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1507516732 MMABITYPQSDLJQ-OLZOCXBDSA-N 409.487 1.542 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2c(C)coc2C)CC1 1507721101 YHEKMCCFKRMZSE-JOCHJYFZSA-N 413.522 1.944 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(O)(C(F)(F)F)CC1 1507831788 FFEZGRIGQOWUKX-LBPRGKRZSA-N 408.446 1.650 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1507966976 DZUHOVAGSDJXDH-RBUKOAKNSA-N 405.543 1.533 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1508144795 HBHWMVXZTXKJPG-SFHVURJKSA-N 415.519 1.891 30 10 HDEE CC(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509175911 VIWPRJZEDCAYQC-MBWHEXEYSA-N 401.446 1.445 30 10 HDEE C[C@]1(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1510357056 RQGSNMGHUPXOGV-PXNSSMCTSA-N 417.441 1.530 30 10 HDEE COc1ccc(CCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1 1518212866 RRCOFVOQSQLXLA-UHFFFAOYSA-N 406.446 1.521 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)C1=O 1524315580 YHSSYVAQISSOGC-GOSISDBHSA-N 405.520 1.404 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCC(C#N)(c3ccccn3)CC2)[C@H]1c1nccn1C 1524670424 UTNSOJVDKCQBGQ-OALUTQOASA-N 422.489 1.187 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)CCC2=O)cn1 1530967325 WVKFXFNVQRTDSD-RTBURBONSA-N 406.490 1.400 30 10 HDEE COCc1nn(C)cc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1534146697 LHBOZBYMNOICTO-HEHNFIMWSA-N 405.480 1.632 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1[N+](=O)[O-] 1539095022 YNMREYRGUAIIOR-CQSZACIVSA-N 420.495 1.846 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCNS(C)(=O)=O 1539109055 HTODVPBRPJYWNI-UHFFFAOYSA-N 405.480 1.073 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1539111437 VBJMLXVCKSSMID-OAQYLSRUSA-N 407.478 1.568 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)NCCCOC)CC1 1539142344 OIRQSOMMUIXUDH-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1539200928 SWPZKPWQSMEXAC-MRXNPFEDSA-N 421.567 1.623 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1539221930 SQCGSGOMSKEBPO-LSDHHAIUSA-N 412.581 1.550 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC1(O)CCCC1)[C@H]1CCS(=O)(=O)C1 1539231833 XHLWYTDUTHSDGT-JKSUJKDBSA-N 408.524 1.061 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)N1CCCCC1 1539344874 LPCNPHVTJGVGSR-NRFANRHFSA-N 403.527 1.792 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCCN(C(C)=O)CC1 1539498230 RCWGHEOYGQTRSB-MRXNPFEDSA-N 409.556 1.427 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2C)n1CCNS(C)(=O)=O 1539558301 FFHKRNBCESWKPT-HXUWFJFHSA-N 401.536 1.719 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CN2CCOCC2)C1 1539751787 UURJEFISIBHYLU-WOJBJXKFSA-N 419.570 1.923 30 10 HDEE CNC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(OC)c1 1539783584 IUMPQGWZKHEGGU-UHFFFAOYSA-N 416.459 1.499 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1540040206 OWPFWTCGFCVEAH-UTKZUKDTSA-N 419.526 1.377 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CC[C@H](CO)O1)C1CC1 1540113952 FMISACDRPAYRLK-JKSUJKDBSA-N 417.535 1.964 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCS(=O)(=O)N(C)C)C1 1540888447 QDBSCQJNHQGJBU-QGZVFWFLSA-N 405.524 1.618 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCC[C@](C)(OC)C1 1540900619 BPIVETILKGJLGE-IBGZPJMESA-N 407.540 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@H]([C@@H]3CCCO3)C2)nnc1C(C)(C)C 1540909031 VLFXHKSYVWETKR-HOTGVXAUSA-N 412.556 1.561 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1541637470 NTPWKBAJVQYWCN-OAQYLSRUSA-N 409.494 1.403 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)n[nH]2)c1 1543097281 WLRXQFRSGUXKKI-XQNSMLJCSA-N 402.480 1.676 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@H](C(=O)OC(C)(C)C)C2)s1 1544967992 RVVLZDBEMSQSLQ-ZDUSSCGKSA-N 414.549 1.945 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1547250373 DIVBWYAQUZCIEU-GOSISDBHSA-N 421.505 1.544 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1552717918 RSNCVYIZLYCBQK-UHFFFAOYSA-N 406.450 1.286 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CCO1 1555992869 DAHAERGRUTYJHC-NVXWUHKLSA-N 402.499 1.350 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccnc3)n2CCCOCC2CCOCC2)CCO1 1555993506 PKFAPIKHPCQMGH-IBGZPJMESA-N 412.494 1.902 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1 1556656100 VNYIZAVYGGRUKR-UHFFFAOYSA-N 411.483 1.502 30 10 HDEE C#CCC1(O)CCN(C(=O)CCNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 1558103765 TXMMAVZWLVSXQN-INIZCTEOSA-N 407.511 1.269 30 10 HDEE C[C@H](C(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@H](C(F)(F)F)C1)n1cnc(C#N)n1 1558402380 NVHMNAGYQNILNY-GMTAPVOTSA-N 402.377 1.625 30 10 HDEE C#CC1(O)CN(C(=O)c2ccccc2NS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1558691984 VXESMLAINWIILZ-UHFFFAOYSA-N 414.439 1.079 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)C1 1559032758 HLKFPOLIPHAELF-MRXNPFEDSA-N 417.462 1.164 30 10 HDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)N2CCN(C(=O)c3ccco3)CC2)c1=O 1559457188 FLXSHNSRWWWHIC-UHFFFAOYSA-N 408.336 1.316 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(N3CCOC3=O)c([N+](=O)[O-])c2)CCOCC1 1561731119 SGKDTVYMAOLVEQ-UHFFFAOYSA-N 411.436 1.955 30 10 HDEE C#Cc1cccc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 1562683774 VBMGHLZUPYNJQI-UHFFFAOYSA-N 400.460 1.406 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@H]1CCCCN1Cc1cccc(F)c1 1565630342 XWEDIROQMMHKRQ-RWNPKEDZSA-N 400.454 1.823 30 10 HDEE C#CCN(CC(=O)Nc1ccc(OCCS(C)(=O)=O)cc1)C(=O)OC(C)(C)C 1584341008 NTKWMVWKMRVFSE-UHFFFAOYSA-N 410.492 1.919 30 10 HDEE C#CCN(C(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C1CCN(C)CC1 1585115482 RTCSMKGWBTXNJI-UHFFFAOYSA-N 403.548 1.087 30 10 HDEE Cc1nn(C)c(NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)c1C#N 1586990842 HFJAIXABCXMLTQ-VIFPVBQESA-N 416.235 1.986 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@H]1CCOC1 1587979554 SQECBARZTGPFTA-ROUUACIJSA-N 409.490 1.823 30 10 HDEE C=C(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OC 1588126814 BRNPBBTWUDOYLK-KRWDZBQOSA-N 410.492 1.254 30 10 HDEE C=C(Cl)Cn1c(C2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1593878065 CPSFMQZNVCVFDG-UHFFFAOYSA-N 406.918 1.615 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCN(C)C1 1595228784 IQVLWORSOWDRBS-FQEVSTJZSA-N 416.551 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCOC(C)(C)C 1595785346 XLMABTPNZOWNKJ-UHFFFAOYSA-N 410.544 1.531 30 10 HDEE CO[C@@]1(CNC(=O)c2ccc(COc3ccc(C#N)cc3)o2)CCS(=O)(=O)C1 1598273123 NQWQGPNUTRQLPY-LJQANCHMSA-N 404.444 1.664 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1611301917 CLHBRZICHCOYSD-SUMWQHHRSA-N 407.478 1.302 30 10 HDEE CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)C[C@@H]1C 1615871673 FBOTXODBOUBMEX-INIZCTEOSA-N 421.509 1.436 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1618666490 ZCPRWLBQUJTKFC-QFIPXVFZSA-N 421.505 1.257 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O 1618726990 DQSQYEWAQDYTJL-CABCVRRESA-N 403.483 1.338 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1620624745 DQBWVNVXFFQKNB-ZDUSSCGKSA-N 411.549 1.573 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)c1ccccc1OC 1623720639 AUSRDALPIYBIJN-MRXNPFEDSA-N 412.508 1.978 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)cc2C1=O 1625518179 SKTQSUBMPLINKZ-LQDVMPOASA-N 402.472 1.554 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C(=O)NCc2ccccc2)s1 1625654323 UXGDTJYOADHZIT-CQSZACIVSA-N 421.544 1.576 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1626099946 AFJFJRKQDBNLTE-AWEZNQCLSA-N 419.482 1.364 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCC3(O)CCC3)CC2)cc1 1626747983 MHCDFYKJZJSBQI-UHFFFAOYSA-N 405.520 1.770 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(n4ccnc4)CC3)C2=O)cc1 1627269956 HYHUWJLSGDKEEL-GOSISDBHSA-N 406.446 1.823 30 10 HDEE C=CCC[C@H](NC(=O)[C@H](CSC)N1C(=O)[C@@H]2CCCC[C@H]2C1=O)C(=O)OCC 1627753238 YVXPCWOOZJHPDN-WCVJEAGWSA-N 410.536 1.907 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC[C@@](O)(c1nccn1C)C(F)(F)F 1629008978 IXPPSHHLWLGLKU-QGZVFWFLSA-N 418.416 1.547 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCc2sc(S(N)(=O)=O)cc2C1 1629817662 PKWQKVMNYUZJRP-UHFFFAOYSA-N 407.473 1.239 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)nn1 1630243053 VRVBLCWRRBYKBE-UHFFFAOYSA-N 418.523 1.729 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)Nc2cc(CC#N)ccn2)C1 1631056507 ZXMZYLUHDNFXQP-AWEZNQCLSA-N 408.480 1.510 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C(F)(F)F)n[nH]2)s1 1632777197 PVTRMSLZAWGQOP-UHFFFAOYSA-N 408.427 1.813 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H](C[C@H]3CCOC3)c3ccccc3)C2)c(=O)nc1O 1633316965 CRKCXEXDMDNTPW-KDOFPFPSSA-N 409.446 1.555 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)n1 1634602089 VWAWJRDHLNIJDY-FUHWJXTLSA-N 422.526 1.355 30 10 HDEE C#CC[C@@H]1CCN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C1 1634986286 GTBFOFBLBQWLKH-IEBWSBKVSA-N 401.482 1.898 30 10 HDEE CN1CCN(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1=O 1636464082 RWWVVURRMCJTMY-DTORHVGOSA-N 423.304 1.390 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[C@@]1(O)C(=O)Nc2ccccc21 1637033917 BZPXJHQPMDUIHM-KKSFZXQISA-N 401.463 1.639 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCC#C[C@H]2CCCCO2)CC1 1637185374 BGJZPIUQKWPWFH-QGZVFWFLSA-N 408.524 1.116 30 10 HDEE CC(C)(CCC#N)CNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638349267 CUVNHDQGEOYPLP-AWEZNQCLSA-N 401.529 1.857 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@H]1CCn2cncc2C1 1638759701 JYZHLFACMPZPRG-HNNXBMFYSA-N 415.519 1.613 30 10 HDEE Cn1ccnc1COCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1639989656 JFKYWOSWZNGQAL-UHFFFAOYSA-N 405.462 1.547 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccc(F)cc1)c1ncc[nH]1)c1cc[nH]n1 1640583330 SXRBEOVIAFQLMF-INIZCTEOSA-N 414.397 1.462 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCN(S(=O)(=O)C4CC4)CC3)cc2)nc1 1641593192 QWOMKVVIFPODFS-UHFFFAOYSA-N 412.471 1.996 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2O[C@@H](C)CC)CC1 1643372265 DBJXAKQLSLCZRK-DVQDXYAYSA-N 405.520 1.489 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)Cc2ncc(Br)cn2)CC1 1644514611 KHHIQJOHIPLAFZ-OAHLLOKOSA-N 409.332 1.363 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1644587534 NELDLKDHDWXWFF-IBGZPJMESA-N 402.472 1.923 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1644943408 XLSCBTHIEHYJKP-JNLAIUADSA-N 411.502 1.719 30 10 HDEE NS(=O)(=O)c1ccc2ncn(CC#Cc3ccc(OC(F)(F)F)cc3)c(=O)c2c1 1652208041 OEVROJIVMCLHST-UHFFFAOYSA-N 423.372 1.994 30 10 HDEE N#C[C@@H]1C(CN2CCN(CC(F)(F)CO)CC2)=CC(=O)n2c1nc1ccccc12 1654072656 ZQSHOMRFQKFSLY-OAHLLOKOSA-N 401.417 1.469 30 10 HDEE CN(CC(=O)NCc1cccc(C(=O)NC2CC2)c1)C[C@H](O)c1cccc(C#N)c1 1654149063 UGLJRJQEVGJOJD-NRFANRHFSA-N 406.486 1.732 30 10 HDEE CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)CN2CCN(C(=O)CC#N)CC2)cc1 1654491485 NYNFZVOIBHQGBI-UHFFFAOYSA-N 408.506 1.473 30 10 HDEE C#CC[C@]1(C(=O)NCCn2cnc3c(N)ncnc32)CCCN1C(=O)OC(C)(C)C 1654655532 DCWSQSXCIAUZFJ-HXUWFJFHSA-N 413.482 1.318 30 10 HDEE C=CC[C@@H]1CCN1CC(=O)N(CCC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1655819423 YHJUVVWOZINKGY-QGZVFWFLSA-N 411.506 1.973 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 1655943094 LMJFQABWXALVFI-IRXDYDNUSA-N 406.527 1.317 30 10 HDEE C#C[C@H]1CCCCN1Cc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[nH]1 1656425706 ANGUKWUKBPNTBB-NSHDSACASA-N 403.460 1.474 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1656632469 VWGWRCHQIIFDFM-NSHDSACASA-N 403.298 1.939 30 10 HDEE C#CC1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1659142664 QHENHIQUBDTBOJ-CALCHBBNSA-N 419.547 1.768 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N(C)CC(=O)N1CCN(C)CC1 1659618706 AHYLGVCAVALKEZ-KRWDZBQOSA-N 401.511 1.036 30 10 HDEE COc1cccc2sc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)nc12 1660447910 NJJMVLAXGCQMFW-APPDUMDISA-N 406.489 1.114 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C(=O)N[C@H](C)C(=O)OCC)cc1 1667529164 SDBJRMANOIRYCP-CYBMUJFWSA-N 411.480 1.090 30 10 HDEE CS(=O)(=O)CC1(CCNC(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 1682672199 ANIAZPXOAHJUJG-UHFFFAOYSA-N 408.499 1.744 30 10 HDEE C#C[C@H](CCC)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1683684682 DERULSWUSJOBCU-CABCVRRESA-N 401.529 1.512 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1689853780 YGERNAMNSFGESO-WFASDCNBSA-N 423.395 1.927 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1690074167 UHERERVGSSAWDR-UHFFFAOYSA-N 417.477 1.815 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1690204310 GILKDTGGZYHQFK-JOCHJYFZSA-N 422.537 1.532 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCC(CC(N)=O)CC1 1690226557 CYEGGKCWLUFLHK-UHFFFAOYSA-N 406.288 1.736 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1690340109 FSMGDHPMBKUXLG-UHFFFAOYSA-N 412.947 1.944 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1 1690597341 QVDDQVRGCWKKSW-QGZVFWFLSA-N 404.540 1.725 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1690659003 GRHDEYASBXJSDP-INIZCTEOSA-N 414.514 1.065 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690667264 XERHIMAVSYXSMT-HUUCEWRRSA-N 403.458 1.627 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCSCC2)C1 1690685288 ZOWUECRFQLSOKA-KRWDZBQOSA-N 420.583 1.344 30 10 HDEE CC[C@@]1(C)CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1694442041 LQZGVQJEUVIXKK-ZBMSZTRUSA-N 424.509 1.831 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705533948 VEOUFFHULYDMDT-HKUYNNGSSA-N 414.554 1.722 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)F 1705576727 QEWRKAJCMGAOMP-UHFFFAOYSA-N 402.361 1.307 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@]1(OC)CCOC1 1705626190 LVROYXVAWASXJZ-NRFANRHFSA-N 400.479 1.845 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H]2C[C@H](F)C2)CC1 1705647582 INGVKUQJHKMWKD-RZDIXWSQSA-N 413.501 1.783 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705663048 UWEWSJDNVABLQG-ZWKOTPCHSA-N 410.547 1.687 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)NC)CC1 1705738373 VNLMTHQPXOTEMP-UHFFFAOYSA-N 418.542 1.346 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1705902279 ASGDPEMYFZSXQI-MSOLQXFVSA-N 403.527 1.727 30 10 HDEE C=CCOc1ccccc1Cn1c(COCC)nnc1N1CCN(C(=O)NC)CC1 1705913934 BRKJYSZOVFNOAD-UHFFFAOYSA-N 414.510 1.889 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(OC)C2CC2)C1 1705928463 FIBHMCROOYKNRE-UWJYYQICSA-N 403.527 1.997 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1706913406 KVXDWJYXOFQHID-MAUKXSAKSA-N 419.457 1.685 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1706971694 XFJAKCUHUPTBOS-FOIQADDNSA-N 416.457 1.946 30 10 HDEE CN(C)[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@H](C#N)C2)CCSC1 1711001071 GLZGJUQUXZTNPY-NQIIRXRSSA-N 423.546 1.983 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC1(O)CCOCC1 1712454393 DSIICFNBSCBVBF-UHFFFAOYSA-N 400.483 1.557 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccsc2)n1CCN1CCN(C(C)=O)CC1 1722297225 FBNWNIGWXWFVCL-MRXNPFEDSA-N 400.552 1.552 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)CC(C)(C)C1 1722333726 YSHIJBBHEJADKU-SJORKVTESA-N 423.583 1.897 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722361159 MAJUYUNCZKALJU-INIZCTEOSA-N 423.502 1.114 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1722363515 GDUFCEJMZIKNLX-VQIMIIECSA-N 410.540 1.355 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1722431632 NUYAMKNRWQQLFA-MRXNPFEDSA-N 402.524 1.532 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCCN2CCC[C@@H]2CO)CC1 1722432729 ZTOUXDQUIVCBBV-LJQANCHMSA-N 402.587 1.568 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCN1CCOCC1 1722505542 KJTOWRGGROIYLD-PKOBYXMFSA-N 413.526 1.485 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1722631582 QPBHZTJGDLJBBW-ULQDDVLXSA-N 412.604 1.879 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCCO[C@H](C)C1 1722706481 UDRFWCJUMUTOER-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE C[C@](O)(Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccc(F)cc1 1723969751 OUCPWSZFIXFVFZ-KLHJMIIUSA-N 415.469 1.948 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1726746028 MPRGSYQPFRQJOT-RMYFCYLKSA-N 411.466 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1740556705 FPKMRAWUNBGDHC-OXJNMPFZSA-N 418.519 1.173 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1740608601 BYASJCILLURFAC-HLIPFELVSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC(C)C)nc1)[C@H]1CCS(=O)(=O)C1 1740627158 YSYMAWXVPJBAPV-KRWDZBQOSA-N 417.535 1.698 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(C2CC2)C1 1740646429 ZOJKGMSAYWQZNI-SFHVURJKSA-N 417.517 1.873 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1740656536 KVENXZKPONGPNL-AWEZNQCLSA-N 422.461 1.283 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)(=O)CC1 1740761461 WUJKTWKUYUTELC-VQIMIIECSA-N 417.535 1.480 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)CC1 1740874334 ARWXBTVPXPMNLQ-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740876904 XMSCUFNDRSFJDO-IAGOWNOFSA-N 421.567 1.738 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1740877106 YNWZXNJNWUIUQK-IAGOWNOFSA-N 423.583 1.889 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740880030 BHYYSMGNJVCCMC-NRFANRHFSA-N 420.558 1.310 30 10 HDEE COc1ccc(CCc2nnc(N3CCC(C#N)CC3)n2Cc2ncn(C)n2)cc1 1748713904 HZLPNQAKCTTYOK-UHFFFAOYSA-N 406.494 1.989 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cc(OC)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1748805742 VNHXTWMIVFZAGP-MRXNPFEDSA-N 404.492 1.279 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1CCCNC(=O)c1cccc(O)c1 1748838942 ISDRKTRISBYJLX-UHFFFAOYSA-N 414.469 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1(OC)CCC1 1748891809 GLXYBBCCAGPNAQ-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1748939275 WTUWTLOXXQPGIP-JXXFODFXSA-N 424.567 1.206 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2C[C@H]2C)CC1 1748979957 UVIQCHHONMWQQH-AEFFLSMTSA-N 413.547 1.760 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1748983183 LGIZGRKJFORHOZ-IBGZPJMESA-N 410.522 1.860 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)CC1 1748990453 XALGFBPBIXGTHO-KRWDZBQOSA-N 417.510 1.123 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1749039726 ZRJXTYFQOPOMRR-YESZJQIVSA-N 403.552 1.596 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1749103477 XIUISXWHSXIZJU-HNNXBMFYSA-N 414.348 1.849 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1749537965 QOEUQDIKEUVZDJ-MSOLQXFVSA-N 424.505 1.963 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1749538205 FJPYHJLQRZRJSN-SFHVURJKSA-N 424.505 1.281 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C2CC2)C(=O)C1 1749655937 UPCVLSQZYOUSRV-UHFFFAOYSA-N 414.897 1.712 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(O)(C(F)(F)F)CC1 1749669098 BWBXRMUGKNNUDZ-CYBMUJFWSA-N 417.432 1.368 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCS(=O)CC2)cc1 1749683754 FOXKSGUOWCDVFB-QGZVFWFLSA-N 415.519 1.411 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C)o1 1749731324 BKSGPDYDMHTGHC-OAHLLOKOSA-N 407.496 1.368 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC(F)(F)CO2)c1 1750382232 QFNYRFLRIYRZHA-JKSUJKDBSA-N 400.389 1.970 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1752636010 XDDYLCNTUGLXBZ-LTDXQCTPSA-N 402.499 1.933 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1760095345 MKESDQSFSKQZHQ-KGLIPLIRSA-N 416.448 1.137 30 10 HDEE C#CCCCCn1c(-c2cccc(OC)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1760133150 WKTCWALHILIJCW-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CC(=O)N(C)Cc1ccccc1 1760160639 IJVKMRUKTVTGIQ-UHFFFAOYSA-N 410.522 1.925 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCN1C[C@H](C)O[C@H](C)C1 1760206884 PWMIFBIHRMNZDD-OYRHEFFESA-N 423.565 1.712 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCOCC1 1760224184 AWOBQMHWJMSYCJ-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1760248717 CWOXXMIITZPPEX-AWEZNQCLSA-N 424.427 1.920 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2Cc2nncn2CC)CC1 1760258571 OOTDPTSRUABOIP-UHFFFAOYSA-N 406.494 1.369 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CCCO2)CC1 1760269400 HHIKEBXXMBJJSI-ZWKOTPCHSA-N 401.511 1.665 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(N)=O)C1 1760323941 HQCGMCIPFKEHGS-CMKODMSKSA-N 410.522 1.947 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)nc2)CC1 1760382253 MMDDYCSEHCYCDY-AWEZNQCLSA-N 406.512 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1760517134 DOHKHBANOQQQLZ-JOCHJYFZSA-N 422.489 1.956 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760525410 DZBSVRKUQYJBBR-RDJZCZTQSA-N 400.552 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)Cc2ccc(C(N)=O)cc2)nnc1C(C)(C)C 1760557958 BMNYKTXWYCUYBC-UHFFFAOYSA-N 419.551 1.912 30 10 HDEE CC(C)N(C)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1761170896 BLYKCHULYQKWOF-UHFFFAOYSA-N 416.551 1.638 30 10 HDEE CCc1nnc(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)s1 1762826091 ROPJLJHYSSHDIP-SJKOYZFVSA-N 409.491 1.906 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1766375933 MCNFOYGBJFUCBI-UHFFFAOYSA-N 419.493 1.345 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1766682765 UHXZXCQUBPSVKV-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CCN(CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1766683836 HTJXXGVRGJRPFU-CRAIPNDOSA-N 412.535 1.354 30 10 HDEE CN(c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1766965935 YZCNCHCEWLNNRX-STGLLQLASA-N 411.466 1.035 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(=O)OC)CC1)OC 1769236725 AWABBXYZGFVCEC-SFHVURJKSA-N 413.478 1.868 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1 1769295774 YYPXGEOWHXFINH-GJZGRUSLSA-N 405.430 1.579 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1771183709 RYDSKVNGFAVANQ-DXNFXHBHSA-N 418.498 1.375 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H]2CCCN2CCCO)C1 1771529068 IBUGRALLKNSFPT-ABSDTBQOSA-N 406.506 1.808 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1772786108 PIFACFCIQQZMIU-ZDUSSCGKSA-N 406.441 1.656 30 10 HDEE C=CCC1(S(=O)(=O)N2CCN(Cc3nncn3-c3ccccc3F)CC2)CC1 1848459127 SFQVXABCXXCCGW-UHFFFAOYSA-N 405.499 1.963 30 10 HDEE C=CCC1(S(=O)(=O)N2CCN(c3nc(CC)nc4c(C)nn(C)c34)CC2)CC1 1848479241 IJAJJPFOKVPIQC-UHFFFAOYSA-N 404.540 1.795 30 10 HDEE Cc1cccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3cnc(C#N)nc3)CC2)c1 1848541893 PDAWUQGFJLZZRM-LJQANCHMSA-N 404.474 1.610 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)c3nccnc3N3CCOCC3)CC2)n1 1849829813 NDOIQOHWAXHOEP-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1850428163 SMGPWYXRPLZOGY-SFHVURJKSA-N 422.507 1.468 30 10 HDEE C=CCN(CC(=O)Nc1ccc(I)cn1)[C@@H]1CCN(C)C1=O 1851169217 PPRLUHREMUEMLF-GFCCVEGCSA-N 414.247 1.343 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)Cn3cnc4ccccc4c3=O)CC2)nc1 1851709999 SOIZJJOCPUILIR-UHFFFAOYSA-N 418.457 1.029 30 10 HDEE Cn1nc(OCC(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)c2ccccc21 1851834434 LLYFQZOGZPGURS-UHFFFAOYSA-N 420.473 1.584 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#CCN3CCCC3)CC2)cc1 1851890640 NPGNXZPDWSMDBT-UHFFFAOYSA-N 403.548 1.611 30 10 HDEE Cc1nnc2c(N3CCC(NC(=O)c4nc(C5CC5)ccc4C#N)CC3)nccn12 1852151992 ZNOLHOJLIAALBD-UHFFFAOYSA-N 402.462 1.976 30 10 HDEE CN1C(=O)N(C)[C@@]2(CCN(C(=O)c3cccc([C@@H](C#N)c4ccccc4)n3)C2)C1=O 1852550097 JKCIWSVSTBLFIV-KSFYIVLOSA-N 403.442 1.846 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)NCC2CCN(S(C)(=O)=O)CC2)n1 1852718799 LUISORUHPDJMTF-UHFFFAOYSA-N 404.414 1.682 30 10 HDEE Cc1ccc(N2CCN([C@H]3CCCN(C(=O)c4ccc(C#N)cc4)C3=O)CC2)nn1 1854319706 CMTLERNZJVUXSZ-IBGZPJMESA-N 404.474 1.610 30 10 HDEE CC(=O)N1CCC[C@@H]1CN1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)C1 1854453338 ZBUBGMFLOHHAFK-MRXNPFEDSA-N 402.882 1.701 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCN(c4ccccn4)CC3)CCC2=O)ccn1 1854734930 XADPPKWXKZLPPG-KRWDZBQOSA-N 404.474 1.549 30 10 HDEE CCCCS(=O)(=O)N1CC[C@@H](N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)C1 1855017468 MZQBLDVILKNTTE-GOSISDBHSA-N 418.519 1.047 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)C(=O)C1 1855279223 XPNLUFWXKIVYCW-INIZCTEOSA-N 411.911 1.350 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)c3conc3C3CC3)C2)C1 1856388961 HZLVMRRNWNUVFS-CYBMUJFWSA-N 407.430 1.571 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](n4cnc5ccccc54)C3)C2=O)ccn1 1856592402 KKUCPTYZNVDYHK-FXAWDEMLSA-N 400.442 1.991 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(COC)cn2C)C1=O 1856734876 ABVWGTDQGRUBHM-IRXDYDNUSA-N 402.495 1.021 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)[C@H](C)n3nc(C4CC4)ccc3=O)C(=O)C2)C1 1856844948 WVLCSLXXQKYEIX-WMZOPIPTSA-N 413.522 1.003 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@H]2C[C@@H]2c2ccccn2)c2ccccc21 1856898313 RNWINUABLROGNT-GJZGRUSLSA-N 410.455 1.808 30 10 HDEE C=C(C)CN1C[C@@H](C)C(=O)N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1857039174 ZKJZTSGZXPSWMV-KDOFPFPSSA-N 419.503 1.181 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CCCOC3)C2)CC1 1857382199 ZSLPQNFSUQVDHR-PKOBYXMFSA-N 411.506 1.267 30 10 HDEE CN(c1ccc(NC(=O)N2CCOCC2)cn1)S(=O)(=O)c1ccccc1C#N 1858262907 WXTWPIGXCQBLKE-UHFFFAOYSA-N 401.448 1.642 30 10 HDEE C=CCN=c1nc(Nc2ccc(Br)cc2)[nH]c(N(CCO)CCO)n1 1871470673 RRPRFZLEMLPNRU-UHFFFAOYSA-N 409.288 1.189 30 10 HDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(=O)n3ccccc3nc21 1875235662 ZFVYJLZFXLNSFL-UHFFFAOYSA-N 411.443 1.260 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNC(=O)[C@H](O)[C@@H](C)NC(=O)OC(C)(C)C 1900028161 KZUGXSOZDOKVMU-ZIAGYGMSSA-N 401.504 1.848 30 10 HDEE C#CC[C@]1(O)C[C@@H](C(=O)N(C)CC[C@@H](NC(=O)c2cnc3[nH]ccc3n2)C(C)C)C1 2079463717 NFOJGYGSKIQUNF-MCFFVMPBSA-N 411.506 1.725 30 10 HDEE CCOC(=O)NS(=O)(=O)NCc1sc(B2OC(C)(C)C(C)(C)O2)cc1C 2157014327 QMYHVQRPHCLKFE-UHFFFAOYSA-N 404.319 1.436 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@](F)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174783452 CDUFBDMVZBMSDL-CZIWCDLHSA-N 404.508 1.699 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1CNS(=O)(=O)CC1(C#N)CCOCC1 2174784043 JSEFYFACRHGYOK-CABCVRRESA-N 401.529 1.729 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2ccc(C#N)s2)s[nH]1 2229909079 ODIKGRMPEYPEJZ-UHFFFAOYSA-N 415.522 1.761 30 10 HDEE O=S(=O)(Nc1nc(C#CCO)ccc1Cl)N1CC(OCc2ccccc2)C1 2241157865 OWYJENNPUCZYAI-UHFFFAOYSA-N 407.879 1.637 30 10 HDEE Cn1cc(C(=O)NOC2CN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247913828 BCKWLVYULLFWQF-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE C#C[C@@H](C1CC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258174442 ZRRDOHFGRDJMJE-SJORKVTESA-N 408.476 1.128 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)N1CCC[C@@H]1C1OCCO1 2281836309 ZHMSNZPFHCOEKW-MRXNPFEDSA-N 403.284 1.972 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282314644 CFZLFQWACRUGRJ-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(F)C[C@H](CN)C3)s2)OC1(C)C 2282333402 NYHSKNDQVKOXDD-SXUIPJSXSA-N 404.338 1.403 30 10 HDEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1)S(N)(=O)=O 2282398062 VZVLNFKWMBEOHT-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H]2CCC[C@H]2O)OC1(C)C 2282488060 AGHUUZVQCPWCGD-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE C[C@@H](CC[S@@](C)=O)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282545478 RPCIUZPBLRWOKR-RSNKEIGGSA-N 403.741 1.260 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](S(C)(=O)=O)C1 2282592516 DNDZCWPXNMHLQS-NSHDSACASA-N 400.331 1.010 30 10 HDEE COCC[S@](=O)CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282624672 NLOIEKNYTMSEFI-AREMUKBSSA-N 401.359 1.481 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)NC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834969 OIZMVVNEKYITOQ-QWHCGFSZSA-N 400.375 1.727 30 10 HDEE CC(C)[C@@H](CN(C)C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848063 IPIHOXXYZZHMTA-CYBMUJFWSA-N 402.391 1.912 30 10 HDEE CC(C)C[C@H](CO)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282859111 HZKBAUNHLLYYPV-ZDUSSCGKSA-N 403.375 1.980 30 10 HDEE CN1CCC[C@H](N(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282863799 WRJHZIMGOCDFIF-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE C[C@H]1CC[C@H](CO)CN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877616 UKYPYQFAXOMNRC-STQMWFEESA-N 401.359 1.829 30 10 HDEE CC(C)SC[C@@H](NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284377467 HRBJYSRRZVCYMZ-SNVBAGLBSA-N 400.331 1.767 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H]3CC(=O)O)c2)OC1(C)C 2284411237 ZWKPBWCXRZPCGP-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE CC[C@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284417304 JCHGRHRPNLFBKZ-JQWIXIFHSA-N 403.331 1.825 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C(CC)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)C1=O 2296215418 ZKXCXXYTMOLFKN-KRWDZBQOSA-N 424.457 1.770 30 10 HDEE COc1ccc(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])cc(OC)c2O)cc1OC 2323404252 OICGVWXQWUFIDC-UHFFFAOYSA-N 411.392 1.639 30 10 HDEE COC(=O)[C@](C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)C(F)(F)F 2339703622 RIRRDWFERWYBCU-AWEZNQCLSA-N 401.403 1.812 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2362565724 BPXMRBCPDPPDKU-GWQKEKGPSA-N 400.375 1.965 30 10 HDEE CN1CCC(C#N)(NC(=O)c2c(Br)c(Br)nn2C)CC1 2364020957 YFUZQRBDYRIXBI-UHFFFAOYSA-N 405.094 1.663 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]12CO[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2365211865 PJJFOAMIQZMMFU-XMDUPGNXSA-N 400.541 1.473 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365246232 OGZHEVWJGOFASH-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367799166 YHNCHXJGCWUEAU-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@](C)(COC)NC(=O)OC(C)(C)C 2367807753 WSSMZRQQUHDMDO-CRAIPNDOSA-N 402.557 1.865 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)CCC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367830537 JQBCGXLPOQBQAT-QMTMVMCOSA-N 400.541 1.435 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](C)(C(=O)O)[C@@H](CC)NC(=O)OC(C)(C)C 2372803641 IABZVGUVIVSZTC-LBTNJELSSA-N 404.529 1.808 30 10 HDEE C=CCn1nc(C(=O)OCC)c2c1CCN(C(=O)c1nn(C)c(=O)c3ccccc13)C2 14755762 DYQYAMJDGGOGEM-UHFFFAOYSA-N 421.457 1.691 30 10 HDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NC(C)(C)C)n1N 20911371 BPNOVVXOILQHRD-UFWORHAWSA-N 407.548 1.839 30 10 HDEE C[C@@H](C(=O)NC1CC1)N1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 28139995 APCOFGCIRQHTSP-UONOGXRCSA-N 415.563 1.720 30 10 HDEE COC1=C(OC)C(=O)C([C@H]2COc3c(cc(OC)c(OC)c3OC)C2)=C(OC)C1=O 100069843 WMZRGAYGZBGMMG-LLVKDONJSA-N 420.414 1.820 30 10 HDEE biogenic C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 107770224 MSOFUKASWWLKBU-HNNXBMFYSA-N 409.471 1.931 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1)[C@@H]1CCS(=O)(=O)C1 108698162 ARKRJCMKRVVSMV-GOEBONIOSA-N 408.545 1.963 30 10 HDEE Cc1cc(C)cc(-n2nnn([C@@H]3CC(=NNC(N)=S)[C@H]4OC[C@H]3O4)c2=S)c1 254516996 FFLINNROFJNWBV-MCIONIFRSA-N 405.509 1.291 30 10 HDEE COC(=O)CCS(=O)(=O)N(C)Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1 404918911 GWEUSQNUOKXDSK-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C)C(=O)OC 435950854 SXCVUOWWOZJWFF-MRXNPFEDSA-N 401.467 1.877 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(C[C@@H]2CCCO2)c1=O 440381042 LEEGQQVWSSSGET-HNNXBMFYSA-N 413.499 1.116 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 460773401 UUFLPZBRENCJII-KRWDZBQOSA-N 403.508 1.707 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)cn1 461322787 NGFSIGDSCJWMKP-INIZCTEOSA-N 400.398 1.596 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 508787814 ADWZIZQHVQJULS-CABCVRRESA-N 409.556 1.497 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CC(=O)NCC)CC1 508955831 KGEXHYBJWDWBRZ-UHFFFAOYSA-N 423.565 1.675 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN2CCOC[C@@H]2C1 509001794 XISDJLBWWJRJFH-INIZCTEOSA-N 403.508 1.055 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cccc(C(=O)NC3CC3)c2)CC1 515738483 DNMBPLNKISWHQL-UHFFFAOYSA-N 411.487 1.356 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CC(=O)NCCCN(C(C)C)S(C)(=O)=O 523499432 NYIUJEUGYCRUAU-UHFFFAOYSA-N 418.523 1.302 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CNC(=O)c2cc3c(s2)CCCC3)c1C#N 534795406 ASOPGNNVVIDKCD-UHFFFAOYSA-N 400.508 1.742 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc(C4(C#N)CC4)cc3)CC2)cn1C 539665912 ATCLTVRULMBTSY-UHFFFAOYSA-N 413.503 1.430 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)C(=O)O 542859443 PGZVJZMCNVLQQR-GFCCVEGCSA-N 420.281 1.619 30 10 HDEE Cc1nccc(N2CCN(C(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CC2)n1 546899134 HMMITNVOTLJEQY-UHFFFAOYSA-N 404.478 1.598 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 549283189 XAXMJYYHUNECFR-MRXNPFEDSA-N 413.544 1.192 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1F 553309654 YBJJPTJNWLEBNH-ZLIFDBKOSA-N 404.417 1.494 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@H]1CCCO1 563322203 ZYRSFTNTVCPJFQ-GOSISDBHSA-N 423.538 1.651 30 10 HDEE Cc1cc(C)cc(-c2cc(NC(=O)CNS(=O)(=O)c3cccc(C#N)c3)n[nH]2)c1 564433710 HOJYFFDPEAENRV-UHFFFAOYSA-N 409.471 2.482 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)Nc3cc4c(cc3[N+](=O)[O-])OCO4)CC2)n1 566829734 MBIUSMAUHBGIMV-UHFFFAOYSA-N 410.390 1.351 30 10 HDEE COc1cc(CNS(=O)(=O)c2cc(S(C)(=O)=O)ccc2OC)ccc1C#N 569055867 UERJZKFFSXNTDN-UHFFFAOYSA-N 410.473 1.457 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)c(F)c1 586863708 YGIYVMFEGADWHS-OAHLLOKOSA-N 400.385 1.918 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1C[C@H]1CCCO1 590914048 PVOMFBZSVNAMEY-OAHLLOKOSA-N 401.488 1.020 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cn3cc(Cl)ccc3n2)cc1 602343015 RVXYCKAFGQZPMF-UHFFFAOYSA-N 403.851 1.454 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(C(=O)N3CCOCC3)cc2)c(F)c1 609233494 JYNXPHJOZFEVKK-UHFFFAOYSA-N 403.435 1.648 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCOC[C@@H]3C(F)(F)F)C2=O)cc1 610047417 FBZXUKCNDIIJEW-ZIAGYGMSSA-N 410.352 1.553 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)c(Cl)c1 730144441 MFHBUFZTTVTLKU-INIZCTEOSA-N 422.938 1.981 30 10 HDEE COc1ccc(CCN2C(=O)C[C@H](N3CCN(C4CC4)[C@H](C#N)C3)C2=O)cc1OC 732670014 UVVRDHZVSAAWCQ-MSOLQXFVSA-N 412.490 1.046 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)OCC(=O)N1CCC[C@@H](C(F)(F)F)C1 741339541 HDQUBAWUQXDXAD-YZSSSTSJSA-N 403.357 1.247 30 10 HDEE CN(C(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)C(C)(C)C#N 747776382 IUALKKUXCWMKAI-UHFFFAOYSA-N 405.410 1.962 30 10 HDEE Cc1cc(COC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 753239497 CYHZBDZDCXNDAO-UHFFFAOYSA-N 400.460 1.801 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 758997870 PYPOGERATTUZPY-JTQLQIEISA-N 400.357 1.464 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccn(CCS(C)(=O)=O)c1=O 760766578 KBIIWBKYMZUWKL-UHFFFAOYSA-N 414.443 1.709 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)C1=O 765987692 YSGCFVVDDMCXEG-QGZVFWFLSA-N 404.835 1.872 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC(c2nc3ccccc3s2)C1)c1cc[nH]n1 772355723 JSISVAYNCVKLFS-UHFFFAOYSA-N 413.459 1.929 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)cc1 780895387 ZQMWGLLPVFKGBO-QFIPXVFZSA-N 402.454 1.986 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 783304723 YGHFGERHGKBIRR-HNNXBMFYSA-N 401.529 1.771 30 10 HDEE C#CCN(C[C@H](O)COc1cc(F)cc(Br)c1)[C@H]1CCS(=O)(=O)C1 784338902 DCVYBCRNMATMIZ-GJZGRUSLSA-N 420.300 1.450 30 10 HDEE COC(=O)[C@H](OC(=O)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1)c1ccc(C#N)cc1 784543385 XMJUORFWSIVZED-GUDVDZBRSA-N 412.442 1.757 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C(=O)OC(C)C)CC2)n1 789003291 LTAPMWMKAKVNRX-UHFFFAOYSA-N 405.499 1.684 30 10 HDEE C=CCN(CCC#N)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 794734795 OTEAFBBCHVDQFA-RQZCQDPDSA-N 402.520 1.533 30 10 HDEE CC(=O)N[C@@](C)(C(=O)OCc1ccnc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 797514784 IQCCNQYURNPIHI-LJQANCHMSA-N 401.444 1.451 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 797814780 JDJBDHITVREFSN-YOFUESFFSA-N 417.579 1.791 30 10 HDEE C[C@@]1(C(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCC(=O)NC1 798863456 CQFWURAZUVGADC-CQSZACIVSA-N 400.254 1.042 30 10 HDEE CSc1nc(O)c(C(=O)N2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)cc1C#N 804634458 WCEDSPHZABZKIU-UONOGXRCSA-N 420.491 1.891 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 805779799 DEGLQHYQXXVTOY-IBGZPJMESA-N 409.490 1.883 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 805835906 WFKYWNAXHARGGH-ROUUACIJSA-N 406.508 1.455 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC2=N[C@@H]3CCCC[C@@H]3N2)cc1Br 807981253 FOXATQQJARKKOU-TXEJJXNPSA-N 400.302 1.290 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 815199757 FSVVCSVCJIWKEW-PMACEKPBSA-N 418.582 1.875 30 10 HDEE CCN(CC)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 917867278 BQQCQUZTECNOPH-UHFFFAOYSA-N 420.944 1.105 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])ccc2O)n1)NCc1ccco1 1084245666 AHQOLOAYEGWWCE-UHFFFAOYSA-N 417.407 1.866 30 10 HDEE C=CCNC(=O)CCSc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1084622460 FELSVZGUCUKYCX-UHFFFAOYSA-N 421.439 1.658 30 10 HDEE Cn1nc2c(c1C(=O)N[C@H](C#N)c1cccc(C(F)(F)F)c1)CS(=O)(=O)CC2 1127756399 KHYIRRNLQVKXFF-CQSZACIVSA-N 412.393 1.904 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1128703502 LNLWDKFMSJPJBL-INIZCTEOSA-N 416.341 1.963 30 10 HDEE COc1ccc(C#N)cc1NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1136453339 CIXVFWSIMJVHJX-OAHLLOKOSA-N 400.822 1.833 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)CC1 1142958631 OURUTNPFRFTESL-OALUTQOASA-N 405.539 1.695 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1149972643 XWLLONBPUHBPCX-GXTWGEPZSA-N 406.426 1.917 30 10 HDEE CC(C)(C)C(=O)N1CCO[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1150657712 QPEZSHJADMJVAM-IBGZPJMESA-N 414.506 1.731 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1159038623 PEEKRDOCVVXWBX-KGLIPLIRSA-N 424.523 1.910 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CCOC)C[C@H](O)C(F)(F)F)c1 1164040419 WDZJOLNEEXMOBE-AWEZNQCLSA-N 410.414 1.163 30 10 HDEE CCc1nc(C#N)cc(N2C[C@@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)n1 1164225154 DLGGHFCLAMRKAW-AWEZNQCLSA-N 401.467 1.757 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCc2c(sc(N)c2C#N)C1 1176777375 MARUNJOQUZVDHK-UHFFFAOYSA-N 403.430 1.039 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1sc2c(c1C(=O)NCCOC)CCCC2 1194418431 RYWPAUOSZMPQIF-CABCVRRESA-N 407.536 1.875 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 1203620207 VDGPEULDISMGTI-AWEZNQCLSA-N 404.414 1.085 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1 1272407817 AGDCGHFGMICRIL-INIZCTEOSA-N 401.438 1.983 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCCCO)[C@@H]1CCS(=O)(=O)C1 1286386628 FASSFEIMNDPLOP-GOSISDBHSA-N 417.535 1.520 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC(C)(C)COC)[C@H]1CCS(=O)(=O)C1 1286396582 WFLLZPJFDJRFAW-IRXDYDNUSA-N 424.567 1.471 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C(N)=O)c1 1286504246 KHLNHZBWNPEISK-MRXNPFEDSA-N 412.519 1.331 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1CCS(=O)(=O)CC1 1286526716 WUXPVDGWKJIYKS-DNVCBOLYSA-N 405.524 1.046 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1286608135 YHWIJVUQLLCFBX-UHFFFAOYSA-N 420.539 1.405 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286769741 PHAWJHQCNPGCTK-KRWDZBQOSA-N 410.478 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOCC2(CC2)C1 1286820587 NWLCTSFFFXMIAH-MRXNPFEDSA-N 410.540 1.390 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1286820614 OJOUMBCOMVXWBT-SFHVURJKSA-N 418.567 1.713 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1288305348 OAGRCYXSABNAHR-FIYPYCPBSA-N 423.489 1.301 30 10 HDEE CCCN(C(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1snc(C)c1C#N 1289083873 JYZKZPMRRLVINZ-VDERGJSUSA-N 402.476 1.619 30 10 HDEE C#CCN(CC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2)C(=O)OC(C)(C)C 1291769487 IITYBZNSNKHGBY-UHFFFAOYSA-N 408.480 1.061 30 10 HDEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1(C#N)CCC1 1292236470 VPTXFXANBXVYPO-KFWWJZLASA-N 411.524 1.561 30 10 HDEE CCc1nnc(N2C[C@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(C#N)o1 1292892609 IUUKLUPMLSSOQL-HUUCEWRRSA-N 400.483 1.721 30 10 HDEE CCc1nnc(N2CCC[C@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1293029932 UDNAQPWXZYSCGL-GOSISDBHSA-N 416.551 1.720 30 10 HDEE CC[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1293587535 POGUBGKEAWCYFA-KIJUOZEOSA-N 400.483 1.687 30 10 HDEE CC/C=C/Cn1c([C@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1293701616 CTBZYPLWSCQVNJ-RTRPANQVSA-N 410.526 1.988 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)NCc2cc(F)c(C#N)c(F)c2)[C@H]1c1ccnn1C 1296842951 YKHAADMDEPRBMH-MSOLQXFVSA-N 403.389 1.175 30 10 HDEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N[C@H]3CCCN(O)C3=O)cc(C3CC3)nc21 1298542393 WZINPPGEGNDVAB-ZDUSSCGKSA-N 415.450 1.141 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1299675559 XDXNNMLBNUVRDY-XIRDDKMYSA-N 405.520 1.847 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1Cc1nncn1C 1300277321 ZMOBXACKQQCDPT-CYBMUJFWSA-N 411.466 1.606 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CC(F)(F)CO1)[C@@H]1CCS(=O)(=O)C1 1300492849 PCDDVLNYGIKRMR-ZIAGYGMSSA-N 400.451 1.206 30 10 HDEE C#CCN(CCOC)c1nnc(-c2c[nH]c3ccccc23)n1CCCn1cnnn1 1300663819 JLAMBEBUVSGFHM-UHFFFAOYSA-N 405.466 1.589 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2CCOCCCO)CC1 1300706376 KXDZLMVIFSAPDV-UHFFFAOYSA-N 422.533 1.435 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccoc2)CC1 1300716164 JUBAQISSGVLXMU-INIZCTEOSA-N 415.494 1.609 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1300733225 IOEUYVQWVCBYLY-QWHCGFSZSA-N 403.599 1.196 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301569301 VIAZRPDFVLXWMF-INIZCTEOSA-N 411.572 1.743 30 10 HDEE Cc1nnsc1Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1304108885 AMLHSCHWYZIIJN-LBPRGKRZSA-N 408.491 1.692 30 10 HDEE COC(=O)c1ccc(CN(C)C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1306882540 GQAKOTOHSVJDOC-CYBMUJFWSA-N 416.459 1.065 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2cc3c(cc2Cl)N(C(C)=O)CC3)nn1 1309750499 UQSZZLDGLYEKHV-UHFFFAOYSA-N 409.899 1.895 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 1312950593 WFAQHAXWGMKUEQ-UHFFFAOYSA-N 403.482 1.058 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(CC(=O)OC(C)(C)C)C1=O 1352022396 YJUYIMRFUPIPDQ-MRXNPFEDSA-N 413.474 1.568 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCC(=O)N(C)C 1358887058 PDJAVFUSTSLTIV-AWEZNQCLSA-N 407.478 1.920 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC(=O)N1CCOCC1 1358892001 QNICOHWCVJKCIE-OAHLLOKOSA-N 417.460 1.854 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCN(CC)CC1 1359111946 SXSGXSBQSMHRNO-ROUUACIJSA-N 403.575 1.658 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1359126383 NULXOFRMLCGWDJ-OAHLLOKOSA-N 406.531 1.456 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCCN(CC)C(=O)C1 1359294525 WLVKVDVTWVDOKY-UHFFFAOYSA-N 416.913 1.959 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O 1360472141 WUFLGWODIVRCKS-BBRMVZONSA-N 406.450 1.543 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCOC[C@H]2OCC)c1 1434893001 AVDMMXDMKVXVNG-TZIWHRDSSA-N 414.502 1.691 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC2CCN(C[C@H]3CCCO3)CC2)c1 1443482386 WHZUVTVPGNSJOS-OAHLLOKOSA-N 409.483 1.496 30 10 HDEE CN(C)CC[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1cccnc1 1456024230 ITZDWILVGHJKKX-SFHVURJKSA-N 404.467 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(C)(C)C 1456215554 MEAPPYHKGKAKSX-NJSLBKSFSA-N 413.540 1.713 30 10 HDEE C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1 1459713248 AXKAOHWSAQBLCP-PXNSSMCTSA-N 418.513 1.842 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)NCC3(N4CCOCC4)CCOCC3)C2)c(F)c1 1460756316 BKURNFKMIBGHQU-GOSISDBHSA-N 416.497 1.521 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCOc2cccc(Br)c2C1 1469507556 JVNVEINGQMACEA-UHFFFAOYSA-N 403.298 1.954 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CO)[C@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1471069643 MKUSVNXUDMSIMW-CSODHUTKSA-N 403.479 1.385 30 10 HDEE CO[C@@H]1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1504473627 HOIQQZRUVBKSKS-YESZJQIVSA-N 407.540 1.735 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1C[C@H](C)O[C@H](C)C1 1507613593 NWPUSVBPSDFFSC-IYBDPMFKSA-N 414.510 1.575 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1507688821 DWQJAQDJQZMNIS-AWEZNQCLSA-N 419.482 1.418 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CC2(N(C)C)CCCCC2)CC1 1507731812 PQGSGOCPABRGAX-IBGZPJMESA-N 400.571 1.802 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC2CC2)CC1 1507791022 GTOMNFBGLHCBGQ-RTBURBONSA-N 416.570 1.930 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1507865636 GBTYKTAYYWLRTH-LLVKDONJSA-N 415.807 1.992 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CCc1cnccn1 1508137574 NUMHBEBAJWLQME-UHFFFAOYSA-N 415.523 1.353 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CC)C1 1508144172 REZBGSSTALNHNP-INIZCTEOSA-N 409.556 1.628 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1517237199 XRAIUMKRBNXCLO-HYEKCJMVSA-N 402.499 1.575 30 10 HDEE CNC(=O)C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1517527844 DFFUQEGSQVWMER-UHFFFAOYSA-N 410.478 1.216 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1521843374 LQZXOGCEZOJEHP-RBUKOAKNSA-N 419.547 1.841 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1539118696 DKZDDROXIBJYEA-QGZVFWFLSA-N 423.583 1.836 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(N(C)C)CCOCC2)CC1 1539446278 AVIURCLYMBOUFJ-LJQANCHMSA-N 416.570 1.038 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cc(C)nn2C)CC1 1539470714 WRLXJJNFFLLFJZ-UHFFFAOYSA-N 421.505 1.903 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539977655 RHMSODYWCQOEEV-GOSISDBHSA-N 402.543 1.781 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1540867260 PVMVWTQMDINPGV-MOPGFXCFSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1540870776 WVBMKEORJFOAJT-IBGZPJMESA-N 415.586 1.454 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1Cc2ccccc2[C@H]1C 1540902760 POWPLTADQZFDPM-PBHICJAKSA-N 415.519 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@H]1CCOC1 1540906979 IJDXKDVJJJWXPO-KRWDZBQOSA-N 420.535 1.991 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCc3ccc(-n4cncn4)nc3)CC2=O)cc1Cl 1540971169 CHWJURZXQUDHAU-OAHLLOKOSA-N 421.848 1.857 30 10 HDEE Cc1c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cnn1C 1542110336 GRWGKDXUHWYLCU-DNVCBOLYSA-N 417.539 1.401 30 10 HDEE CCOCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)cn1 1544462964 MQDHLXVJGIFCCE-PYCFMQQDSA-N 419.507 1.985 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 1544745739 FMXMEJFFFAKMJX-UHFFFAOYSA-N 414.849 1.984 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cc2nc(C3CCOCC3)n[nH]2)[C@@H](C#N)C1 1545289895 OGSWRYIOOWKLKC-AWEZNQCLSA-N 404.471 1.213 30 10 HDEE CCc1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1546547443 QONJVKKDUYJBNO-TZFAWSOVSA-N 414.388 1.134 30 10 HDEE COc1ccccc1Cc1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1555070533 KFKSTEXYXOCHNR-FVJLSDCUSA-N 415.469 1.859 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Cc2cccnc2)C2CCCC2)CC1 1558075278 SBNKGPDGOKHLBP-LJQANCHMSA-N 404.536 1.042 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1CCC(=O)Nc1ccccc1C#N 1560005702 NUINKOOQEJVQJH-NRFANRHFSA-N 418.494 1.475 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)n1 1562988793 DCUZKTFPADWMSD-KRWDZBQOSA-N 409.446 1.949 30 10 HDEE C#C[C@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1 1563707067 OUFITTLDQIEPSW-KRWDZBQOSA-N 400.479 1.739 30 10 HDEE O=C1C=COC2(CCN(C(=O)NC[C@H]3CS(=O)(=O)c4ccccc4O3)CC2)C1 1564964606 IKYCXVIUJKHHLR-HNNXBMFYSA-N 406.460 1.269 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CC1 1565296261 MULWCZYZYTULEQ-JOCQHMNTSA-N 410.462 1.339 30 10 HDEE CCCC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)C(=O)NCC1CCN(CC#N)CC1 1565738258 OMRULDWEBGWKGK-FUHWJXTLSA-N 421.586 1.564 30 10 HDEE COC(=O)Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1F 1570442116 HBVGQLKZEGSCCK-UHFFFAOYSA-N 419.434 1.904 30 10 HDEE COC1(OC)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C[C@@H]1O 1570616699 VRNBKXPIDLKAFT-FZTQNYJHSA-N 423.510 1.356 30 10 HDEE Cc1ccccc1-n1ncc(NC(=O)Cn2cc(C#N)c(O)nc2=O)c1C(F)F 1583275638 MVPRLBXBUUVHQA-UHFFFAOYSA-N 400.345 1.891 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1587270205 ZAOQYWCXLOUIGM-UHFFFAOYSA-N 420.516 1.764 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587593022 HKRVISQFHUOUKX-KGLIPLIRSA-N 422.942 1.733 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1587650369 AZJAJCNNJLWNFH-HNNXBMFYSA-N 402.520 1.913 30 10 HDEE C#CCN(c1nnc(C)n1CCCn1cnc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1588035943 ZSWMAVPDGKKOMJ-QGZVFWFLSA-N 412.519 1.653 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2cccc(-n3cncn3)c2)CC1 1588733410 RPARILTZNAQOPE-UHFFFAOYSA-N 404.522 1.960 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1589495958 UVRJCSIZBSPWFS-IIMJZQEZSA-N 402.499 1.382 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1594733680 XJKOLPMRWWIIOF-UYSNPLJNSA-N 415.535 1.762 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccoc1 1595219249 SQFJPCNZGFDVDP-INIZCTEOSA-N 407.496 1.431 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](COC(C)C)C1 1595523115 PXABAKGWXNHLBD-INIZCTEOSA-N 402.499 1.216 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@H](C(=O)N[C@@H](C)CCC)C1 1595536643 DBQGYWRUVTYLAQ-RDJZCZTQSA-N 402.543 1.979 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCSCC1 1595760024 JUZGQSDWKRJIKP-UHFFFAOYSA-N 422.536 1.079 30 10 HDEE C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 1597163042 HDOKZKMAYYQTED-IUODEOHRSA-N 407.434 1.178 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(c3ncc(C#N)cc3[N+](=O)[O-])CC2)cc1 1612171318 NTNVMDGXIPNZPK-UHFFFAOYSA-N 417.447 1.771 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN3CCN4CCOC[C@]4(CO)C3)c2C#N)C1 1620619127 VTNOFXFKAKGYEZ-YCRPNKLZSA-N 418.563 1.452 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2nn(-c3cccc(F)c3)c3c2CCC3)CC1 1623499307 XXLRPITVOXDAFT-UHFFFAOYSA-N 409.465 1.007 30 10 HDEE C[C@@H]1O[C@H](C)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@H]1C 1624230006 ADDHQFFUWNHEKY-XTDOFWJNSA-N 405.520 1.887 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1 1624986020 FLKCYPOKASFBIU-UHFFFAOYSA-N 415.500 1.906 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1I)C(=O)OC 1629617504 RBCROWLUSJYDAZ-LLVKDONJSA-N 402.144 1.494 30 10 HDEE C[C@H]1CN(CCO)[C@H](C)CN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1630284655 SXFSRACGSMZSAO-OSIHPVMLSA-N 420.554 1.687 30 10 HDEE C[C@H](C(=O)N[C@@]1(CO)CCc2cc(Br)ccc2C1)n1cnc(C#N)n1 1632865908 SPUXMACFQVSENI-DIFFPNOSSA-N 404.268 1.509 30 10 HDEE C=CC[C@H](NC(=O)Cn1nc(Br)c(Br)n1)C(=O)OCC 1633797809 SYROHAZVWDIZSH-ZETCQYMHSA-N 410.066 1.427 30 10 HDEE Cn1ncc2c1CC(C)(C)CN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)C2 1641530106 FQQJUYVMHDSHRN-UHFFFAOYSA-N 401.492 1.070 30 10 HDEE CN(Cc1nnc2c(=O)[nH]ccn12)C(=O)Cc1ccc(Br)cc1C#N 1643762889 PZMKBUMZWXHLFR-UHFFFAOYSA-N 401.224 1.253 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1644429087 OAZRIGLURIHCHR-IXDOHACOSA-N 406.548 1.660 30 10 HDEE CCS(=O)(=O)NCc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1648293684 PMARJZLVHHPHJU-UHFFFAOYSA-N 404.517 1.840 30 10 HDEE N#C[C@@]12CN(CC[S@](=O)c3cc(Cl)ccc3Cl)C[C@H]1CS(=O)(=O)C2 1648416383 ZAPSHCNNVZDUJA-UZYSIYDRSA-N 407.344 1.971 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 1648799648 QMZIYVRHGSVRRM-INIZCTEOSA-N 402.499 1.610 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)[C@H]2CCc3cnn(C)c3C2)c(=O)c1C#N 1654530727 GYBDHAYYEUNDDF-NSHDSACASA-N 404.268 1.708 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1655764852 PBWIHCLWMCUQIE-IBGZPJMESA-N 424.523 1.079 30 10 HDEE N#C[C@@]12CN(CCC(=O)Nc3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1660309739 KKLGQUJDLPUOLE-LRDDRELGSA-N 412.309 1.648 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN[C@@H]1C(=O)NCC12CCOCC2 1660347405 NWUIYYINWNDPPO-RDTXWAMCSA-N 402.520 1.904 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1Br 1661955304 HXTBOPQKFZPGHM-JTQLQIEISA-N 410.261 1.980 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC 1662631682 NQKFFSODTDKMPO-KXLSMFKISA-N 411.476 1.759 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC1(N2CCOCC2)CCOCC1 1673485016 HVETZJXJDVVBFX-IBGZPJMESA-N 402.495 1.114 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1)c1ccccc1 1674020165 DYCBUSLHPYZLKX-SFHVURJKSA-N 407.499 1.958 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 1678520244 RNPFWJIAIZHYRM-KGLIPLIRSA-N 410.462 1.150 30 10 HDEE C#CC1CCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1 1683190486 ZFGLFUMAGQIHEY-GOSISDBHSA-N 405.520 1.699 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C1 1685839713 WHWAAHQIPWTPCA-IBGZPJMESA-N 403.958 1.859 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CC(=O)N(C)C 1690094196 VOOBVQFFTCFPEK-OAHLLOKOSA-N 403.458 1.731 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(N)=O)C1 1690497935 YPKLZWWWIKZSTD-HXUWFJFHSA-N 413.482 1.220 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1690510740 DNHNRYVFEDXMMC-UHFFFAOYSA-N 417.554 1.899 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1690646102 GWGBPWBEPCODEJ-NQIIRXRSSA-N 423.565 1.829 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCCN2CCOCC2)C1 1690710865 XUEMFAAPVKPJNS-HXUWFJFHSA-N 412.538 1.768 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1691866267 RSPFCAYRLWAJLV-QGZVFWFLSA-N 422.537 1.909 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)C1 1692433694 DKELLWSSQBHSQT-MSOLQXFVSA-N 413.526 1.369 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CCS(=O)(=O)CC)c1 1705504531 ZGVMYUDRFRBXBP-UHFFFAOYSA-N 417.535 1.892 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1705533477 NHVZRCRGNRACEP-QZTJIDSGSA-N 401.511 1.761 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(NC(C)=O)cc1 1705551446 NMLMKPWHVKMKRT-KRWDZBQOSA-N 415.519 1.451 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1705556792 HDLWCCNJMHKGRD-UHFFFAOYSA-N 406.446 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCc2ccccc21 1705587673 DXBYFRXRQKFUJV-QHCPKHFHSA-N 405.502 1.713 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@H]1CCC(=O)N1 1705630560 XQYVOGPDXOZWTN-QGZVFWFLSA-N 406.490 1.715 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCn2cncn2)CC1 1705633749 XPKVNRDPBVJFTE-KRWDZBQOSA-N 424.484 1.604 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1705685549 CIZDXRXYVCKMKI-STQMWFEESA-N 421.361 1.950 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCS(=O)(=O)CC 1705753022 NOEXSKGIGPIXAF-UHFFFAOYSA-N 415.903 1.629 30 10 HDEE C=C1CCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1705766705 LDQUYCYPCSBOHM-ZZEZOPTASA-N 407.478 1.966 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1705846483 IDERUQSPZAECLY-HXUWFJFHSA-N 424.549 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1705899122 IRSQKULTXKAQMH-GOSISDBHSA-N 408.506 1.839 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@@H](O)C2)C1 1705924068 AEENHTAQWDSOJN-BSDSXHPESA-N 424.567 1.513 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccccn2)CCOC1 1706679241 IXOPXUDSTWXVLW-WIYYLYMNSA-N 412.494 1.685 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCCCCO 1706867646 RGWUPZHOWUSCMZ-OAHLLOKOSA-N 412.560 1.571 30 10 HDEE Cc1cccnc1Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1707688169 CVRUHPPQHKPYHI-OAHLLOKOSA-N 423.502 1.750 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(CC)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722285823 YHHTVBSDRLZWOR-YWZLYKJASA-N 402.520 1.515 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1722510596 SZWHEDULRLHVDG-WIYYLYMNSA-N 418.586 1.812 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1722699119 BSGQAYVUPGJQJJ-QAPCUYQASA-N 417.485 1.550 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCN(C2CC2)CC1 1723619695 AVNFAPMPNNHUGA-KRWDZBQOSA-N 401.515 1.019 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCOCC2)C1 1740577262 XRKYJIMVBOIIIX-UHFFFAOYSA-N 401.511 1.590 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@@H]1CCOC1 1740581556 AGYOFRQJCIGYHW-QGZVFWFLSA-N 417.535 1.834 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1740589125 PNEBNTQRJADVHL-FUHWJXTLSA-N 401.511 1.665 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOCC2)c(F)c1 1740639663 WSIUMFXJFVBIFS-IBGZPJMESA-N 423.492 1.879 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCSC1 1740649253 PQNHEDVITXTVNC-SFTDATJTSA-N 418.563 1.650 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1740651938 OLDFMACPFOOMPU-VZCXRCSSSA-N 417.473 1.273 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 1740673855 JOYSNLLWIPWKTD-ROUUACIJSA-N 416.570 1.748 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CC=CCO2)CC1 1740825233 KQZZHWYUYIHHCE-IAGOWNOFSA-N 423.539 1.113 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1740836569 PCDQZZQDYREMLH-HBGVWJBISA-N 406.527 1.873 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1740880975 SOIVBQWVTYUORN-INIZCTEOSA-N 401.515 1.736 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC(=O)N1CCOCC1 1741519767 VFVOYHMXGIEIGL-QGZVFWFLSA-N 404.515 1.755 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1745895842 DNEZERWGQPQREZ-MRXNPFEDSA-N 418.885 1.718 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1746684475 NIAWZCDYJHEPOV-WOJBJXKFSA-N 414.466 1.145 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCCn1cnnn1 1747731682 XNTRRZBMNOHYJZ-SFHVURJKSA-N 407.482 1.757 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](CNC(C)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1748764052 GTVIACJEPCTMFC-RXVVDRJESA-N 419.526 1.073 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1748784118 BOWGHUPSGKBQOI-MRXNPFEDSA-N 404.478 1.473 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1cnnn1C 1748950690 PDDCMNPKBFBHMU-HNNXBMFYSA-N 413.457 1.820 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2nc(C)nc2C)C1 1749193741 OBMZHOKLSULINW-SJORKVTESA-N 419.555 1.806 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1749292308 PRHMEEAUQQZYKI-XLIONFOSSA-N 424.567 1.910 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCCOC)CC1 1749342348 FFJWORSXGWDPAP-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE COCC1(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1749398046 WGKODVJTCABBKG-HOTGVXAUSA-N 402.499 1.555 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC[C@@H](NC(=O)CC)C1 1749721963 XQSABRFLMUDDCM-HZPDHXFCSA-N 411.572 1.887 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@H]1CCOC1 1751089283 DYCYQNLPTXJUSE-IAGOWNOFSA-N 404.515 1.696 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)OC(C)(C)C 1760096071 FDNGXVQZAUUGSQ-AWEZNQCLSA-N 413.482 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1 1760208900 NDQGDZIYTIIAPU-FQEVSTJZSA-N 410.503 1.256 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCc2nnc(C)s2)CC1 1760262610 SPIQMSGTZRJLFS-UHFFFAOYSA-N 422.562 1.812 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)CCCOC 1760296035 XXLSKHWUHYFYCX-YLJYHZDGSA-N 423.583 1.141 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760327343 GKXTURVUCKEAMF-KNBMTAEXSA-N 405.499 1.827 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)[C@H]1C 1760357356 ILHSBNAURHXRNX-CVEARBPZSA-N 412.556 1.777 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C)C1=O 1760500592 PBGMKAYGHOQHOL-HXUWFJFHSA-N 413.482 1.043 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCS[C@H](C)[C@@H]2C)n1Cc1ccc(C#N)o1 1761506184 WUWKWRAYWHAPDP-RWMBFGLXSA-N 424.552 1.731 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)cs1 1762296820 ORKNFADLTWRLLC-USXIJHARSA-N 402.524 1.914 30 10 HDEE CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1764290295 XORRFEFVFFNPJM-OKYOBFRVSA-N 418.542 1.605 30 10 HDEE Cc1nc(O)n(Cc2ccccc2)c(=O)c1CC(=O)ON1C(=O)c2ccccc2C1=O 1772788533 ARFQSTVYHVKSBM-UHFFFAOYSA-N 419.393 1.603 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)nn2)n1 1848921260 PJLJXNMSTFIXFJ-UHFFFAOYSA-N 421.505 1.894 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@@H]1c1cccc(F)c1 1851121625 ZYDBJVAWGXRRNB-MJGOQNOKSA-N 408.437 1.356 30 10 HDEE CCNC(=O)N1CCN(CCOC(=O)c2cn3cc(C#N)cc(Cl)c3n2)CC1 1852160068 NVHOFXRWSJAQEE-UHFFFAOYSA-N 404.858 1.363 30 10 HDEE C#CCCN1CCN(CC(=O)NCCc2c(C)nn(C)c2Oc2ccccc2)CC1 1853377979 AZQDXSSHMHUIFB-UHFFFAOYSA-N 409.534 1.820 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1Cc1nc(-c2ccccc2)no1 1853653497 VVFYSYCPDBLSTF-AWEZNQCLSA-N 402.414 1.876 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cnn(C(F)F)c2)C1=O 1854082406 PNHJDEYLPYGUPT-CABCVRRESA-N 409.437 1.518 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CSCc2ccccc2)C1=O)[C@@H]1CCN(C)C1=O 1854186372 NZNAOGKCFMETLR-MSOLQXFVSA-N 401.532 1.766 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2cnc(C)s2)C1=O)[C@@H]1CCN(C)C1=O 1854303140 VKZVOXXQVPMXQU-DLBZAZTESA-N 404.536 1.620 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(-c3ccccc3)cc2)CCN1S(=O)(=O)CC#N 1854695081 WBEJGXSWMXCJFA-MRXNPFEDSA-N 411.483 1.809 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCSc4ncccc43)CC2=O)CC1=O 1854921882 CIZWIHLSJIWMCS-HUUCEWRRSA-N 400.504 1.403 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC(n4nccn4)CC3)CCC2=O)cc1 1855006929 GZKZWURJHSVXMG-IBGZPJMESA-N 406.490 1.795 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@H](CN(C)CCC#N)CC1=O 1855748097 DUDCVZDYWYKTNX-HNNXBMFYSA-N 409.446 1.075 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(Cl)cc3)CC2=O)c1 1856018075 OINPHNUTSURYIA-UHFFFAOYSA-N 421.848 1.672 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1856264205 RDPRSEMRBLMNQU-MRXNPFEDSA-N 405.520 1.600 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)C(=O)C23CCCC3)cc1 1856280873 VZKIMFNSSPCUAR-UHFFFAOYSA-N 424.482 1.939 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3cn(C[C@H]4CCOC4)nn3)C2)CC1 1856939223 POZXFGILVHJRJU-ZWKOTPCHSA-N 414.510 1.319 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(-n4cnnn4)c3)C2)CC1 1856956310 FMTGWIROQKJCDO-QGZVFWFLSA-N 407.478 1.667 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2C[C@H](CN3CCC(CC#N)CC3)CCC2=O)CC1 1856963495 UNNPRWNFTJJCAO-KRWDZBQOSA-N 424.567 1.049 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(N(C)C)nc2)C1)[C@H]1CCN(C)C1=O 1857050902 RDISDGUFUYJMRO-WMZOPIPTSA-N 413.522 1.245 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cncc(Cl)c2)C1)[C@@H]1CCN(C)C1=O 1857074851 RMBNWZCNQMTQIG-WMLDXEAASA-N 404.898 1.833 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N3CCC(CC#N)CC3)C2=O)cc1 1857387538 QHPIQZBPYJLPSL-GOSISDBHSA-N 418.519 1.304 30 10 HDEE N#Cc1cccc(NC(=O)CC[C@@]2(c3ccc4c(c3)CC(=O)N4)NC(=O)NC2=O)c1 1858173399 MNYKYADZYRPEIW-NRFANRHFSA-N 403.398 1.506 30 10 HDEE COC(=O)c1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858422123 NCSLHXGSQDCRNF-INIZCTEOSA-N 413.455 1.994 30 10 HDEE CCN(CCO)C(=O)[C@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869929650 JYCWERPFRSOCMV-KRWDZBQOSA-N 419.478 1.316 30 10 HDEE CCC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCN1CCCC1 1869933620 KLPZGJSDDLQOOH-QGZVFWFLSA-N 406.552 1.886 30 10 HDEE CC(=O)NCCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CCN(C)CC1 1870350090 PKKAZMXPPAAKEY-UHFFFAOYSA-N 423.517 1.182 30 10 HDEE C#CCOc1cn(CCCCN2CCCC2)c(CN(CCOC)CCOC)cc1=O 1870563714 MALXMYUKYVPVQU-UHFFFAOYSA-N 419.566 1.831 30 10 HDEE C#CCOc1cn(C[C@H](O)c2ccc(Cl)cc2)c(CN(CCO)CCO)cc1=O 1870563807 PQYGLHJPDUBTQS-FQEVSTJZSA-N 420.893 1.034 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOCCO)[nH]c(=Nc2ccc(C)c(F)c2)[nH]1 1871581551 MKOVQOGMPMWHAO-UHFFFAOYSA-N 402.474 1.506 30 10 HDEE CCOC(=O)N1CCN(CC(=O)[C@H](C#N)c2nc(C)c(C(=O)N(C)C)s2)CC1 1872797677 RLBCIPXZTNPBIM-ZDUSSCGKSA-N 407.496 1.104 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccc(C(=O)O)cc2)CC1=O 1874341333 HQORYFDOYQATHU-VYXQJKENSA-N 417.491 1.667 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 1882609109 GFBBYAGOVXYJNQ-SFNQZPIRSA-N 422.503 1.705 30 10 HDEE CCN(CC)CC#CCNC(=O)c1cc2c(=O)n3ccccc3nc2n1CCCOC 1890480092 HKGFQDJUUZZZDE-UHFFFAOYSA-N 423.517 1.761 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)cc1F 1891674844 DUNWHVGRTOFXBG-UHFFFAOYSA-N 406.439 1.976 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1985101093 NTLLAQRKQAVRGT-GFCCVEGCSA-N 406.292 1.875 30 10 HDEE N#Cc1cccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)c1 2118170032 ZYZXCDSUMDYFIE-MOPGFXCFSA-N 415.471 1.920 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N[C@@]1(C(=O)O)CCCN(C(=O)OC(C)(C)C)C1 2163586196 DEXSRSLZPQUWKQ-KRWDZBQOSA-N 403.501 1.349 30 10 HDEE COC[C@]1(NS(=O)(=O)N2CCC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174790034 XVWBCWDCVRVQCK-PBHICJAKSA-N 402.517 1.082 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)s1 2243393903 AKECEWLVJSDTQV-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)([C@H](F)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243697900 NESFTHHYCOWHDF-CYBMUJFWSA-N 412.267 1.057 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247820749 RQWVQHMDISDJEV-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN2C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247825567 GKDOEPBTBJYZAW-OLZOCXBDSA-N 418.303 1.543 30 10 HDEE CC1(CNC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247829353 KXBLBOZLFYEMBM-UHFFFAOYSA-N 420.319 1.696 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248403133 BGWHMLOYOLVMDV-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE C#CCCN(CCC)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258177579 NGJIFOMAIUPSRR-QGZVFWFLSA-N 410.492 1.520 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCN[C@H](CCO)C3)sc2Cl)OC1(C)C 2281973218 RWMCNPPLBKPOMO-LLVKDONJSA-N 400.737 1.497 30 10 HDEE COc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCC2(C)OCCO2)cc1OC 2282011039 CLDNZYDIXGYMMK-UHFFFAOYSA-N 407.272 1.496 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC[C@@H]3N)cc2Cl)OC1(C)C 2282307088 XBPOCERVKMUUTC-QWRGUYRKSA-N 422.765 1.095 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CNC(=O)O3)cc2Cl)OC1(C)C 2282318810 KZIVSGGPLCHSDF-QMMMGPOBSA-N 422.721 1.087 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCC1SCCS1 2282329699 QDLHFYQNCFYJOM-UHFFFAOYSA-N 419.403 1.194 30 10 HDEE C[C@@H]1CC[C@@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332913 IDGDPNODHZMXEL-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCC[C@H]3CO)c2)OC1(C)C 2282333835 UAHHNLIELLYHIM-OLZOCXBDSA-N 401.359 1.734 30 10 HDEE CN(C)C[C@@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282338072 LCPUAMQAPQISKI-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCC[C@H](O)C3)s2)OC1(C)C 2282341573 UQGOUUCFRFRTCR-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCC[C@@H]3N)c2)OC1(C)C 2282345810 RHMLUBTUZWPSTL-OCCSQVGLSA-N 400.375 1.843 30 10 HDEE C=C(CS(=O)(=O)N=[S@@](=O)(C(C)C)[C@@H]1CCNC1)B1OC(C)(C)C(C)(C)O1 2282488969 BFRCWLNCGWNPGN-IYJVBRSBSA-N 406.379 1.742 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3CNOC3)c(Cl)c2)OC1(C)C 2282494637 AKNUOQGKVVBHBC-SNVBAGLBSA-N 423.127 1.474 30 10 HDEE CC(C)N(C)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282498340 BZMIHQOPDKOOOJ-UHFFFAOYSA-N 403.379 1.202 30 10 HDEE COC[C@@H]1CC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501367 WGQDXCKURMDJNF-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282502279 IUISKFHCBGHCTO-VWLOTQADSA-N 405.322 1.124 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2282651644 CXBOEOFUMITEIM-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CCN(C)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282834618 LUCZBMWKZFNEOR-UHFFFAOYSA-N 402.753 1.869 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CO)sc1B1OC(C)(C)C(C)(C)O1 2282841441 ODCCOOPMCYJRBI-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE CC1CC(CO)(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282863824 XBKBTJBJSHBEKL-UHFFFAOYSA-N 401.359 1.734 30 10 HDEE CCN1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)C1 2282868069 IDPQQVLKWDHKIU-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCOC[C@H]2CF)OC1(C)C 2282871064 AWZUHXZNJZGBOF-CYBMUJFWSA-N 405.322 1.547 30 10 HDEE CC[C@H](CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)CC(=O)O 2284401998 FTZLSUGCHOHYJE-NSHDSACASA-N 403.331 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSCC(=O)O 2284410663 VQDLCDMTXRCKPN-UHFFFAOYSA-N 421.371 1.452 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@H]1CCCN1 2286912304 SCULTKQMSQEFNZ-DGCLKSJQSA-N 400.375 1.775 30 10 HDEE C#CCCCCCCNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2316793178 VBQDNHUQCMHBRW-QGZVFWFLSA-N 410.492 1.869 30 10 HDEE COC[C@]1(C)C[C@@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@H](C#N)C1 2364214576 OBNKNFDZBTVRSZ-CPUCHLNUSA-N 402.517 1.081 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365200787 BMVHYUULEQNMBB-GPINWOSQSA-N 400.541 1.161 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365206632 HWIPKAMWOQUZPC-OAGGEKHMSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@H](CNC(=O)OC(C)(C)C)C1 2365211016 MEKGRICOXKZVSF-HRCADAONSA-N 402.557 1.721 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2367786396 HSZMHGSPGQDOPT-OWCLPIDISA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2367794892 BYSSTPWFKDLKAF-BZUAXINKSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)O1 2367796420 ILMWSJLPSXBGSN-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 2367822890 XOHWMCGWGOTNAB-SPYBWZPUSA-N 400.541 1.163 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CCCNC(=O)OC(C)(C)C 2367832117 XJSKDIVNPFQGBX-CRAIPNDOSA-N 402.557 1.601 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)C2=O 10055527 DCRLNTCKOQSGPC-DBWCEAHUSA-N 418.494 1.761 30 10 HDEE COc1ccc(CN2C(=NC(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OC 254428879 PISDFKBJTJLVJV-CZUORRHYSA-N 410.517 1.711 30 10 HDEE COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 254851612 PWFODRFQFCSELM-OWCLPIDISA-N 410.517 1.471 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)N(C)C)cc2OCC)CC1 428789424 VBRHSSQQQUODKA-UHFFFAOYSA-N 417.510 1.239 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 432584788 ASUFCDMWGREMFB-GOSISDBHSA-N 412.490 1.764 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(N[C@@H]2CCN(c3cc(C)nn3C)C2=O)cc1 433729134 WNYFDVYOTBBHEZ-QGZVFWFLSA-N 403.508 1.752 30 10 HDEE CCc1ccnc(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1 438170791 YYEZYDCJFXKMKK-UHFFFAOYSA-N 413.503 1.732 30 10 HDEE Cc1cccc(S(=O)(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)c1C#N 441972229 DYYPRYPOLMPIKU-UHFFFAOYSA-N 404.536 1.432 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCC[C@@]4(C3)NC(=O)NC4=O)c2)c1 447761199 TYGUXWFKYLSZSR-QFIPXVFZSA-N 404.426 1.951 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CCN(c2ccccc2)CC1 460579664 AQIXZODDBXMGKH-UHFFFAOYSA-N 415.457 1.735 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 460929328 DPTCBZJDMARFKV-IAGOWNOFSA-N 409.556 1.956 30 10 HDEE N#Cc1cnc2ccc(Cl)cc2c1N1CCN(S(=O)(=O)N2CCOCC2)CC1 461450583 PSEVIJQVUNVHPI-UHFFFAOYSA-N 421.910 1.459 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)NCc2cnc(N3CCOCC3)c(F)c2)c1 462687854 RTXGIJOZVWRSNK-UHFFFAOYSA-N 408.430 1.688 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O 469826915 AAMAGPDWXAWTLJ-TXPKVOOTSA-N 401.511 1.537 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CC1 472435132 RWAMEPHTBALZGW-KSZLIROESA-N 418.519 1.532 30 10 HDEE CCOC(=O)C[C@H]1C[C@@H](OC)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 479052605 DUQZTLWTPKUBFM-IAGOWNOFSA-N 408.476 1.042 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(C[C@H](O)COc3ccc(CC#N)cc3)C2=O)C(C)(C)O1 480393368 DHYTYSMVLCXGJI-BTYIYWSLSA-N 401.463 1.760 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1ccc2c(c1)OCO2 480438326 BFBDUHCMBIZTNG-OLZOCXBDSA-N 401.444 1.831 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCS(=O)(=O)c2ccccc2)cc1 480950128 CWAAYRLXJPKTEE-CQSZACIVSA-N 421.500 1.968 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN([C@@H]4CCCC[C@H]4O)CC3)cc2C1=O 491866260 OKJRIXRCDSESTH-WOJBJXKFSA-N 411.502 1.966 30 10 HDEE CN(CC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)S(=O)(=O)c1cccnc1 504728302 BGSFDAFVPPQCOV-UHFFFAOYSA-N 414.487 1.644 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H](NC(C)=O)C1 508890876 ZJJXTZOKPIRRAD-INIZCTEOSA-N 403.508 1.640 30 10 HDEE Cc1occc1C(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512469798 SZVNSMYZWDMUIK-HXUWFJFHSA-N 415.538 1.475 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccnn2CC)c1=O 512761605 FBOWDUVVVXJCEY-UHFFFAOYSA-N 420.494 1.707 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)CC1 512888101 FLEKQNNGTMYMQT-IBGZPJMESA-N 404.474 1.980 30 10 HDEE COC(=O)c1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCC(C)(C#N)CC1 513565301 GGNTYWCCNNOANR-UHFFFAOYSA-N 414.462 1.401 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 513848811 NQJIBJJODFXYMM-CQSZACIVSA-N 415.475 1.343 30 10 HDEE N#Cc1ccc(OC2CCC(N=c3[nH]c(=NCCO)c4ccccc4[nH]3)CC2)nc1 534342354 HYHDRTTZSGRPKV-UHFFFAOYSA-N 404.474 1.947 30 10 HDEE N#CC1(c2ccccc2)CCC(N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 537298043 XUJWGRHFSWESSY-JWFWCLOMSA-N 403.548 1.478 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 545512030 PXDQNMJXLYMSMD-UHFFFAOYSA-N 423.429 1.881 30 10 HDEE N#CC1(c2ccccn2)CCN(S(=O)(=O)C2CN(C(=O)c3ccccc3)C2)CC1 548774226 YIUIMQNCJPVKQU-UHFFFAOYSA-N 410.499 1.793 30 10 HDEE COCC[C@@](C)(C#N)NC(=O)CCN1C(=O)COc2cc(Br)ccc21 561836349 DQGPNBJWSNYWQA-KRWDZBQOSA-N 410.268 2.000 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)cc2C(F)(F)F)c(=O)n1C 562229937 HNEXKNSKIJYFGY-UHFFFAOYSA-N 420.416 1.367 30 10 HDEE N#Cc1ncn(-c2ccccc2NS(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)n1 564557055 AZPZULWYGGDPTQ-UHFFFAOYSA-N 415.456 1.270 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@@H](CNC(C)=O)C1 567411102 XWHOEAFSJBMOCT-KRWDZBQOSA-N 400.439 1.771 30 10 HDEE C[C@@H]1C[C@]2(CCO1)CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C[C@@H](C)O2 580264668 JGUCVGKZCPCIRG-SPYBWZPUSA-N 407.492 1.022 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@H](CC)C1 583766195 XWECYDNMWWSFPS-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H]2CCN([C@H](C)c3ccccc3)C2)C1=O 591152557 UWVGKDAQPQUUSC-SJLPKXTDSA-N 412.490 1.647 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1Cc1ccccc1 610358211 HPPJWIHQSCYLPL-UHFFFAOYSA-N 416.462 1.204 30 10 HDEE N#Cc1cc(F)c(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)c(F)c1 615489020 VYTTZCXCFMSWMC-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1 672076870 BSMUZNXHMMZSLZ-KRWDZBQOSA-N 418.519 1.933 30 10 HDEE COc1ccc([C@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N2CCOCC2)cc1 732701066 OXNBZKWDCIOCRA-FPOVZHCZSA-N 413.522 1.450 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)OCc2ccnc(C#N)c2)CC1 747008321 RJIUKTCHCZWVPV-UHFFFAOYSA-N 403.464 1.437 30 10 HDEE Cn1c(CON=C(N)c2ccc(COc3ccccc3F)cc2)cc(=O)n(C)c1=O 748795435 AGGZLSLQGQIYJF-UHFFFAOYSA-N 412.421 1.639 30 10 HDEE CCc1c(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754533238 PKBNOZVYLZYMHS-AWEZNQCLSA-N 424.432 1.873 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)OCc1cc(Cl)ccc1OCC#N 756755955 OQVJRMYDZBKKGF-NSHDSACASA-N 412.855 1.386 30 10 HDEE CN1CCN(c2cccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n2)CC1 756919387 CZRMEOBBYJJEDK-WBVHZDCISA-N 414.510 1.322 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(C)nn(C(C)(C)C)c2C)c1=O 758062578 SRAXTTYLRMBJMX-UHFFFAOYSA-N 422.554 1.984 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767146942 BBVKVKQLRFWUTM-PMACEKPBSA-N 417.465 1.482 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CCO)CCC1 770638392 ZRXHYOYPHAFCPM-INIZCTEOSA-N 407.536 1.953 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCS(=O)(=O)C1 774195718 LBZJZPFMKQARIV-LPHOPBHVSA-N 405.520 1.416 30 10 HDEE C#CCN(C(=O)NCC1(c2ccccc2C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 774196762 VJIOOIQAICRUNF-GOSISDBHSA-N 404.532 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCCNc2ccc(S(N)(=O)=O)cc2C#N)CC1 774514611 TZFLHVMSJJQMCH-UHFFFAOYSA-N 423.539 1.560 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC(=O)NCc1ccccc1 780180507 RSBQWFQSXGDATC-FQEVSTJZSA-N 403.435 1.817 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)s1 780208104 ZMUVKYXXKNKTRV-KRWDZBQOSA-N 422.484 1.171 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC(=O)C2(c3ccc(C#N)cc3)CC2)cc1 781476925 BENICNNOOHPKBR-UHFFFAOYSA-N 404.469 1.498 30 10 HDEE C=CC[C@@]1(C(=O)NCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 790545530 STNHNEFYWVZISU-SFHVURJKSA-N 401.529 1.484 30 10 HDEE COc1ccc(C[C@@](C)(O)CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1OC 793906027 GZILOOVWBAGUGW-RABMLOOZSA-N 417.462 1.030 30 10 HDEE C[C@H](C(=O)OCC(=O)Nc1cc2c(cc1Cl)OCCCO2)n1cnc(C#N)n1 798743044 BVOAFIIJXFFAQG-SNVBAGLBSA-N 405.798 1.707 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCO[C@@H](C(F)F)C3)CC2)cc1 801009670 RJDAWFUDJYPLNJ-MRXNPFEDSA-N 413.446 1.451 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1)[C@@H]1CCS(=O)(=O)C1 802358743 GSNIRVQBHVGOCI-SJORKVTESA-N 419.503 1.329 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 809890174 VSVWDBROYJURHK-PBHICJAKSA-N 402.451 1.623 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCc2noc(C)c2C(=O)OCC)c1 811049947 CTDBPEPQQUHSLN-UHFFFAOYSA-N 408.432 1.981 30 10 HDEE COc1cccc(C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 811153090 FMEDZSFPGZAJLB-GFCCVEGCSA-N 403.416 1.055 30 10 HDEE COC[C@@H](C)N=c1scc(-c2cnn(C)n2)n1N=Cc1cn(C)nc1C(F)F 812219430 VTQICWXNAJGXHC-SNVBAGLBSA-N 410.454 1.834 30 10 HDEE C#C[C@@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1 812749069 BHMHAMRDURZJIN-GOSISDBHSA-N 417.462 1.297 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)c3c(c2)OCO3)c(=O)n1C[C@@H]1CCCO1 837855424 FRPILIOSCBIOLS-ZDUSSCGKSA-N 415.858 1.498 30 10 HDEE C=CCC1(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1130902568 WQBNPCQNMJZGBW-UHFFFAOYSA-N 408.520 1.871 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)Oc2c(F)cc(C#N)cc2Br)C1=O 1131600558 OUEAVCZBVHOVBM-SNVBAGLBSA-N 413.199 1.777 30 10 HDEE C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1132311923 XVLPTIVKFOBTSE-ZHRRBRCNSA-N 409.490 1.708 30 10 HDEE CCOC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cccc(C#CCO)c1 1137101506 NDJDPIOBFMPLHT-GOSISDBHSA-N 416.474 1.655 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)c2[nH]c3ccccc3c2C#N)C1 1139811088 DBDPSXRPMROVNY-AWEZNQCLSA-N 404.492 1.552 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1)c1cc[nH]n1 1143038734 PEUBLUKLWFZJSX-CYBMUJFWSA-N 415.450 1.861 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)cc1 1150443548 PQHSRRRBAYZVOT-PBHICJAKSA-N 421.519 1.726 30 10 HDEE Cc1cc(C#N)c(=O)n(CC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1 1166344571 CACKRBBODDFYJD-UHFFFAOYSA-N 421.501 1.428 30 10 HDEE COC(=O)C1(C#N)CCN(C[C@@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)CC1 1170331794 APSBCCYSJJCDHM-AWEZNQCLSA-N 407.467 1.318 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@]12CCC(=O)N1c1ccccc1C(=O)N2C1CC1 1171919775 IWJXIWIQRDXGKE-OAQYLSRUSA-N 410.430 1.043 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1178466771 XUHCFCIVFFUFDG-UNEWFSDZSA-N 403.483 1.630 30 10 HDEE N#Cc1cn(C2CN(C(=O)CN(Cc3cccnc3)c3ccccc3)C2)c(=O)nc1O 1180988307 CZDWEDRWYNSWCK-UHFFFAOYSA-N 416.441 1.306 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(C(=O)NCCOC)c2)cc1 1190446154 KUQKLRGMWIFAIL-UHFFFAOYSA-N 402.472 1.553 30 10 HDEE C#CC1(NS(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)CCCC1 1194066149 DKPAKHFIZRIWIM-UHFFFAOYSA-N 412.309 1.864 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CC1 1194067242 XGRIUUNKMUBCMJ-UHFFFAOYSA-N 419.272 1.226 30 10 HDEE Cc1ccc(-c2csc(NC(=O)CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1198336910 MHAINPFCCVNOSY-HNAYVOBHSA-N 416.528 1.927 30 10 HDEE C#Cc1ccc(NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)c(Cl)c1 1209898124 OGJBYTCOSJGHCQ-HNNXBMFYSA-N 411.911 1.980 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCc2ccc(C#N)cn2)CC1 1251657283 GRAISSJDEKWVBV-UHFFFAOYSA-N 402.499 1.742 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1253779349 ORHCFAMRHXIDIM-GOSISDBHSA-N 407.536 1.748 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)/C=C\c3ccc4c(c3)NC(=O)CO4)CC2)c1C#N 1269303291 MJZHNUYMUZTXPZ-XQRVVYSFSA-N 406.446 1.293 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1286348871 PLIWVBYAFCXKMS-ZDUSSCGKSA-N 405.480 1.043 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@](C)(O)C1CC1)[C@H]1CCS(=O)(=O)C1 1286386830 IDAYHEKTQKPVBE-HNAYVOBHSA-N 403.508 1.061 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCSC2)CC1 1286481990 ZCFCSQOPCFVFNP-SJORKVTESA-N 423.608 1.079 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)CCC 1286782461 VVDNHTQGTKHEKF-UHFFFAOYSA-N 420.539 1.344 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC(C(=O)NC)CC1 1286783900 PMHDYSOLOSUXBW-UHFFFAOYSA-N 412.494 1.218 30 10 HDEE C=CCNC(=O)Cn1c(N(C)[C@H]2CCSC2)nnc1[C@]1(OC(C)C)CCOC1 1286793010 ORMCZKSWWHTYCV-KXBFYZLASA-N 409.556 1.563 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1OCCC1(C)C 1288814224 CAVBMPBEDSVXBD-LSDHHAIUSA-N 424.571 1.833 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cs1 1290418171 QXBRZYOYNFZTNM-QZTJIDSGSA-N 403.487 1.554 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)COc3ccc(Br)cn3)CC2)c1 1290526279 AMFCYIPKOIHTIL-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)CN(C)C1=O 1291525092 ZYLGOHIXQODBOL-ZSEKCTLFSA-N 409.494 1.805 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(C)COCCO1 1298284033 XPRFWURNPVNPOV-OAQYLSRUSA-N 407.478 1.992 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N(C)[C@@H]3CCN4CCO[C@H]3C4)ccc2c1=O 1298371929 JHJDMLQLRGWJPZ-SJORKVTESA-N 400.504 1.416 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@@H](F)C2)CCO1 1299137347 FDJIKBQPECLQSD-NXHRZFHOSA-N 412.469 1.906 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N(C)C)Cc2ccccc2C1 1300267160 FPCJVUVMAHHZBN-QGZVFWFLSA-N 408.550 1.973 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)OCC)C(F)(F)F)cc1 1300400571 HFCYBIZVJQXEER-CYBMUJFWSA-N 408.398 1.765 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1CCS(C)(=O)=O 1300591020 JODVAMAIFMSLNW-UHFFFAOYSA-N 409.515 1.789 30 10 HDEE C#CCSCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CC#C 1300740983 JKKBUXDOOVPODT-UHFFFAOYSA-N 416.576 1.982 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CCOCC 1300831001 PMERNAUEWKWBOO-NSHDSACASA-N 410.338 1.270 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2CCCO2)CC1 1301506202 HQTVKBJWSMVXBD-LJQANCHMSA-N 410.522 1.962 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(C(=O)NCC)CCC2)C1 1301557312 ODDHMUNDCJAHHA-SJORKVTESA-N 403.527 1.870 30 10 HDEE C=CCSCCn1c(-c2cccn2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1301604649 YAOUGFYQPXGACN-UHFFFAOYSA-N 411.535 1.859 30 10 HDEE C#CC[C@H](COC)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1301821911 ANRUBVVFQNONEI-SNVBAGLBSA-N 412.817 1.792 30 10 HDEE COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)CC#N)CC1=O 1301862466 HTHOVSVCUPCWCR-IRXDYDNUSA-N 411.510 1.497 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(F)c3)C2)nc1 1303897745 CBASSUPJKGYLQV-MRXNPFEDSA-N 417.466 1.474 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1CC(F)(F)Br 1316097640 FWXJLXVRLPPDGX-UHFFFAOYSA-N 423.262 1.770 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C[C@@H]2C1 1316753539 IVSWWNMJRHBSJR-OSFNYYGPSA-N 401.551 1.615 30 10 HDEE C#CCCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1358917509 SNZAYXPBQFZFPD-XGHQBKJUSA-N 401.511 1.449 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCOC2)CC1 1358919588 FTZBIOPSDGOHLJ-WBVHZDCISA-N 409.556 1.555 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)CC1 1358931492 CSPXHAOPZFRJQE-UHFFFAOYSA-N 417.535 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCC(=O)NCCC 1358995888 JRWJILJLBNDIBM-UHFFFAOYSA-N 417.517 1.896 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1359122080 WVVDJWHBRGZJHU-INIZCTEOSA-N 411.510 1.569 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359149707 GROXYCJRNKHHAA-JSGCOSHPSA-N 420.905 1.556 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359207606 PVFGORZAEOTCMT-ZWKOTPCHSA-N 404.559 1.930 30 10 HDEE C=CCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@@]1(OC(C)C)CCOC1 1359290130 JOQQSBXACQEIBM-HXUWFJFHSA-N 418.498 1.025 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1C[C@H](OCC)C12CCC2 1359291278 KTCLHUWXFDUXAA-CVEARBPZSA-N 418.542 1.502 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1359306592 LHUUFXCZZXLZHW-RMRDIRSESA-N 419.526 1.308 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N(C)C[C@@H](C)C(=O)NC 1359330022 DJJYZHILNPOVKK-CQSZACIVSA-N 423.514 1.503 30 10 HDEE Cn1c(S)nnc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1443591293 OHJHTMWTLWHGII-LASWEOPPSA-N 406.512 1.507 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](O)COc1ccc2c(c1)OCO2 1445833948 RGJODAPJIZUSJY-GOEBONIOSA-N 420.462 1.578 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1 1453389468 LFWAJUFMAMVIKF-MRXNPFEDSA-N 408.483 1.787 30 10 HDEE C[C@H](CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1455039375 RLSGFQUUSJUPFD-DYVFJYSZSA-N 408.483 1.659 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NCCN(C)CCS(C)(=O)=O 1455363700 BGRVISXNZNMRJX-UHFFFAOYSA-N 408.442 1.976 30 10 HDEE C#CCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCN(C)CC1 1456167645 BRLSMUNSFTZUAT-UHFFFAOYSA-N 402.520 1.061 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)[C@H](CO)C1 1456955047 MBJBSIBJVJGLAK-FUHWJXTLSA-N 410.430 1.925 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCC[C@@](C#N)(c3ccccn3)C2)cc1 1460606307 PSMRIAMMLXWCAJ-NRFANRHFSA-N 412.515 1.659 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@@H]3C(=O)NCC34CCOCC4)c2C#N)C1 1460853231 VEGBTPCSZULCTR-FZKQIMNGSA-N 416.547 1.958 30 10 HDEE C#CCCN(CCOC)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1461784591 NMVMNOYVEOLHHI-UHFFFAOYSA-N 408.520 1.594 30 10 HDEE N#Cc1ccc(NCC(=O)NCCNC(=O)c2cccc(Br)c2)nc1 1464707680 OXUXWBXMJZMBEU-UHFFFAOYSA-N 402.252 1.674 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H]1Cc2ccc(O)cc2N1C(=O)OC(C)(C)C 1466320143 QYVZYBJMKKJHFA-INIZCTEOSA-N 410.492 1.775 30 10 HDEE Cc1ccc(C(=O)NCc2cnc(Br)cn2)cc1S(=O)(=O)NCC#N 1467988380 UBWBVAMRCOBKFO-UHFFFAOYSA-N 424.280 1.279 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1nn(-c2cccc(Br)c2)c2c1CCC2 1468372787 JLHALMOYDATRCM-ZDUSSCGKSA-N 405.252 1.843 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C1CCOCC1 1470864665 HMENBIPVJWNCGY-LBPRGKRZSA-N 403.430 1.817 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2ccccc2S(C)(=O)=O)cc1 1471760667 NJEBSBKEAGOEBK-UHFFFAOYSA-N 422.528 1.527 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)c3ccc(N4CCOCC4)cc3)CC2)o1 1473671768 JIHJVZRZNIBAES-UHFFFAOYSA-N 424.505 1.476 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)[C@@H](CC(=O)OCC)C(F)(F)F)c1 1474856996 SVVNIKNXZFQCQY-ZDUSSCGKSA-N 406.382 1.410 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1475880330 QZNXZSFZNNUCMN-HLLBOEOZSA-N 411.524 1.933 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1CC1CC1 1503624699 DLOVBTQKBCRDOX-UHFFFAOYSA-N 404.496 1.124 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1cccc(N2CCOCC2)n1 1507531434 DZYAYJOGGQQPSE-ROUUACIJSA-N 410.522 1.910 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@]1(N2CCOCC2)CCSC1 1507545526 FZRQIYUVNZYELO-MBOZVWFJSA-N 405.568 1.795 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1507635881 VYSXCSBNKJEJPS-KRWDZBQOSA-N 421.567 1.116 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1cccnc1-n1cccn1 1507665382 NIGDAFLLMUVRRY-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2cnccc2OC)CC1 1507718431 DMPUTYZYHIGCNS-QGZVFWFLSA-N 414.510 1.209 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1507805838 DMDZZRWZUZPCHZ-LJQANCHMSA-N 417.602 1.943 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCC2(CC1)OCCO2 1507842465 AXEOYMUMMCZWTH-QGZVFWFLSA-N 419.526 1.944 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)CC1 1507903059 QQWBEKCXAQFXJF-ZDUSSCGKSA-N 423.461 1.576 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1)C1CC1 1507993238 JDJMBECTSILICT-OAHLLOKOSA-N 410.540 1.267 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(F)c1 1508071514 KCHITXNHBRGUFV-UHFFFAOYSA-N 400.458 1.592 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1508130523 IMTMBKHOHFFKBQ-VGWMRTNUSA-N 407.540 1.252 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508158434 GZORNAXIRCCLSY-VCBZYWHSSA-N 407.540 1.533 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1509057569 ADHBQVPHLSSNOD-SJTPKYKMSA-N 414.510 1.791 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCC[C@@H]1NC(=O)NC1=O 1518419130 HYHACRJFPKHZDI-HIFRSBDPSA-N 411.466 1.538 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCn2ccnc2C1 1519161824 BEISMJGMYAXVET-INIZCTEOSA-N 409.498 1.504 30 10 HDEE CSC1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCN(C)CC1 1519973708 NCCUJSQJGQOSOC-SJORKVTESA-N 420.583 1.728 30 10 HDEE C#CCN(C(=O)[C@H](F)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1520935037 JEPFHJPDCGJCAQ-RBSFLKMASA-N 402.488 1.230 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3[C@@H]3CCCO3)CC2=O)cc1Cl 1525577179 HHAPZPHTMSAUFW-JLSDUUJJSA-N 403.866 1.971 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)C1=O 1526581558 XGJAZOGTLZGSKY-ZIAGYGMSSA-N 409.446 1.682 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)C2)nc1 1527083152 SPNFLFDWAYTPCY-CYBMUJFWSA-N 421.379 1.921 30 10 HDEE Cc1nsc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)c1C#N 1527234409 GXGJOTQBDTVTJS-UHFFFAOYSA-N 420.498 1.896 30 10 HDEE CN(CC(=O)Nc1ncc2c(c1C#N)COCC2)C1=NS(=O)(=O)c2ccccc21 1529422386 BMEPNHSFVPTERB-UHFFFAOYSA-N 411.443 1.045 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1 1536901155 SOEIIMWOEMVRNM-JQFCIGGWSA-N 409.464 1.455 30 10 HDEE COC(=O)c1ccccc1CCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1538324995 BGZSOIWSQOPMFS-UHFFFAOYSA-N 415.471 1.638 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1538996465 WUKDASNVGHLXDE-APFMSCDFSA-N 420.473 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1539013016 HOYZWFDWOLYQNU-FUHWJXTLSA-N 407.584 1.760 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSC(C)C 1539014118 LFPHLROWRVISJW-CABCVRRESA-N 415.585 1.211 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1539079288 RSKBDVJSKFDIBS-CVEARBPZSA-N 409.556 1.462 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1539960933 JTTYHNSTPCGRJX-INIZCTEOSA-N 424.513 1.567 30 10 HDEE C=CCCOCCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1540026943 MVVVIVACEPWFEN-QGZVFWFLSA-N 403.458 1.628 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N1CCC(NS(=O)(=O)CC)CC1 1540857137 ALNHJXFTBZSDAS-UHFFFAOYSA-N 422.511 1.100 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1540858793 FVNKENNBVWPNIL-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)NC(C)C 1540872310 KKOIOVNEYQKPCS-UHFFFAOYSA-N 402.474 1.271 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](CCC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1540875946 CKMMEDLNOKYKOA-DYESRHJHSA-N 421.542 1.626 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1cc(F)ccc1F 1541104868 BOEJCICNLNCUGE-RYUDHWBXSA-N 412.466 1.811 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1541992865 XDNINZYQZLCLFJ-INIZCTEOSA-N 414.514 1.476 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC(=O)N1C 1544754773 HSPMQYANUMXARO-LPHOPBHVSA-N 424.505 1.679 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(C3CCCC3)n2Cc2ccc(C#N)o2)C1 1547785118 KPKWWQHPQHMRQO-QGZVFWFLSA-N 418.523 1.967 30 10 HDEE COCCN(CCOC)C1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 1557319817 YOGFVXWNYSOGEW-UHFFFAOYSA-N 404.536 1.972 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 1557614097 DUJCMLWRPSAEIE-FQEVSTJZSA-N 421.519 1.727 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNC(=O)NCc3ccc([N+](=O)[O-])cc3)CCO2)cc1 1558603964 DXFMFKIKNBAHCN-IBGZPJMESA-N 423.429 1.866 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3cccc(Br)c3)C2)c(=O)nc1O 1558805178 GPPCYZVBXQUGRS-UHFFFAOYSA-N 403.236 1.599 30 10 HDEE C#CCN1CCN(C(=O)CN2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)CC1 1559953600 XPHYJFPZBJCWSR-UHFFFAOYSA-N 414.472 1.173 30 10 HDEE C=C[C@H](CO)NCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1560020166 SPRJOZQAMYJVKE-OAHLLOKOSA-N 411.524 1.335 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC[C@]3(C)C(=O)OC(C)(C)C)CC2)o1 1560025381 CSXDKHLIQKFRFH-OAQYLSRUSA-N 417.510 1.700 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCc2c(CC#N)cccc2C1)[C@@H]1CCS(=O)(=O)C1 1560042292 KMPONRYHVOVQDP-VQIMIIECSA-N 403.548 1.925 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)NCc3cnc(Br)cn3)C2)nc1 1565175740 RRJUOWIYOGGBRR-CYBMUJFWSA-N 403.240 1.869 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CC1 1567994147 JVWULULRUPMXLU-INIZCTEOSA-N 413.540 1.164 30 10 HDEE Cc1nc(SCC(=O)NC2CCN([C@H]3CCN(C)C3=O)CC2)c(C#N)c(C)c1C 1568773594 BRSHSAOMJXQVLO-SFHVURJKSA-N 415.563 1.782 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CCC2 1583434625 BNZCBRLOJZZVBC-MRXNPFEDSA-N 403.435 1.629 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)c1cc(F)c(C#N)c(F)c1 1584766530 VIAIKEAHDUTSPL-IBGZPJMESA-N 411.405 1.565 30 10 HDEE N#Cc1ccc(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)nc1Cl 1585894674 RYMYCCUZSHBFNF-UHFFFAOYSA-N 404.879 1.771 30 10 HDEE C=C(C)C[C@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1587305226 FNXRWBKHJFCCND-GJZGRUSLSA-N 411.499 1.516 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(N2CCOCC2)n1 1587551084 ZAPPMRPMYWNYKH-KRWDZBQOSA-N 423.521 1.252 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1587614322 ICHBYYYEAKBVQT-GOEBONIOSA-N 409.469 1.620 30 10 HDEE C#CCCCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1587793751 SFEXSRYVEKEVQN-SFTDATJTSA-N 401.511 1.450 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCN(S(C)(=O)=O)C1 1587958887 VXJDFWKNFGAXSB-AWEZNQCLSA-N 417.491 1.025 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CC(C)(C)OC)[C@H]1CCS(=O)(=O)C1 1588064837 QCAUHDUAAXXRDP-KRWDZBQOSA-N 417.535 1.316 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(N(C)C)CCC1 1588292857 DRUQMKZTGLIONC-UHFFFAOYSA-N 405.510 1.865 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@H](C(C)C)N1CCOCC1 1588645890 DYTMPHFPVVQOAK-RBUKOAKNSA-N 405.543 1.225 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(NC(C)=O)nc1 1588647812 YTXWOEAYACFFFU-GOSISDBHSA-N 412.494 1.660 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC[C@@H]2COCCO2)CC1 1588930423 VSPUUDCQOKMLFU-GOSISDBHSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1589059230 CQSNXRIQWWRICU-IAGOWNOFSA-N 422.576 1.513 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)C(=O)C1 1589404543 KPUGSRJRJWOUJE-CYBMUJFWSA-N 410.316 1.892 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1593878256 FXFKMZWANQKGIS-KBPBESRZSA-N 420.905 1.457 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1594807494 QGBSCOSGOZGMQN-IRXDYDNUSA-N 415.498 1.133 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCN(C)C1 1595251834 XWEDCVGFXKDRQV-UWJYYQICSA-N 414.510 1.124 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595523631 ZPZSLCFZHUGYRF-HNNXBMFYSA-N 408.466 1.718 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCCC2(CC2)C1 1595577218 LRNJSZWPJLLLPC-UHFFFAOYSA-N 414.535 1.952 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1595602285 IWJPHTPGZKYHPL-OXJNMPFZSA-N 407.515 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1C[C@H](OC)C(C)(C)C1 1595812552 XWPXQBFLJPRTKJ-KRWDZBQOSA-N 419.551 1.726 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)CCS(=O)(=O)c1ccc3c(c1)OCCO3)C2 1597704990 KGNAYIUJSYADOT-QGZVFWFLSA-N 412.467 1.777 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1COCCO1 1606951375 DNEPTRXYVDIIQG-QGZVFWFLSA-N 404.515 1.696 30 10 HDEE N#CCc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1 1611128119 GDPLNOWLRKFXGA-UHFFFAOYSA-N 405.501 1.765 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CCN(C)CC1 1611144693 AZYDZRUKMKEYKQ-UHFFFAOYSA-N 422.551 1.248 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N(O)Cc1ccccc1Cl 1611648888 MWXHRBDNQNINLE-UHFFFAOYSA-N 413.883 1.731 30 10 HDEE C[C@H]1COCCN1CCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1613012143 CBINZXNHVIIQIL-WMZOPIPTSA-N 414.485 1.457 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3c(Cl)cccc3Cl)c2S1(=O)=O 1615099240 YISWBQAVCGCRSK-GFCCVEGCSA-N 414.274 1.819 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCOC[C@@H]3CCOC3)C2)C1 1615612473 KEKCJAJGPMRXHV-BAQZJKQNSA-N 407.511 1.943 30 10 HDEE CCN(CCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)CC#N)S(C)(=O)=O 1615623552 ANBIUTWVHDEXRH-CQSZACIVSA-N 406.516 1.145 30 10 HDEE C#CC[C@@]1(C(=O)NCC2(S(=O)(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1616507241 DCCWRZAXGXBHHW-IBGZPJMESA-N 413.540 1.320 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)Cc2nc3c(s2)C[C@H](C)CC3)C1=O 1617559203 TYGWTVSASYIDQN-GFCCVEGCSA-N 404.492 1.593 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CC(=O)N(C2CC2)[C@H]1c1cccc(OC)c1)C(=O)OC 1617949865 JOCMZSOCPQRZDA-HBFSDRIKSA-N 416.474 1.608 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1 1623081615 SQCUMTGQKZBIGB-DBWCEAHUSA-N 424.494 1.684 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 1631744245 DRLAUJMRAGUGHR-MRXNPFEDSA-N 423.498 1.496 30 10 HDEE Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c(C)n1-c1cnccn1 1631745789 ZBKXRKSJJJYVJH-OAHLLOKOSA-N 402.462 1.897 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCC[C@H]3CNC(N)=O)C2)C1 1632250238 QOOVLZPOVPWAEG-WZHMAMEKSA-N 419.526 1.823 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)C3(C#N)CCSCC3)C2=O)c(OC)c1 1634975236 BTSLCDZJQBHFBW-MRXNPFEDSA-N 403.504 1.958 30 10 HDEE CSCC[C@@H](NC(=O)c1ccccc1Br)C(=O)N[C@@H](C#N)CO 1635475108 BLPPMCJGEGVARG-GXFFZTMASA-N 400.298 1.301 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@@H]2CCCC[C@H]2N(C)C2CCN(C)CC2)nn1 1636330591 IRFDXDKHSKAQQE-WOJBJXKFSA-N 403.575 1.943 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(N)(=O)=O)cc(F)c3C)CC2)c1C#N 1636901388 ZXLOAGZFYXFOSN-UHFFFAOYSA-N 423.495 1.381 30 10 HDEE COc1cc(-c2noc(CCC(=O)N[C@H]3CCN(O)C3=O)n2)cc(Cl)c1OC 1637457520 AOMWHPNSFNROLQ-NSHDSACASA-N 410.814 1.446 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@](C)(O)c2ccc(F)cc2)s1 1637793309 WERTXIKTYDDULD-SFHVURJKSA-N 412.508 1.918 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cc(S(=O)(=O)NC)ccc1O 1638362568 VCSMBPSTQUNWQP-CYBMUJFWSA-N 411.480 1.546 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCCCn3cc(CO)nn3)C2)C1 1638462877 CWTCPSPVXFXHQG-CHWWFWEZSA-N 418.498 1.064 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(c1nccn1C)c1nccn1C 1640738286 SSUKCISZETWFJQ-AWEZNQCLSA-N 400.483 1.666 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)c1ccc(C#N)c(Cl)c1 1641580091 RIODLMZUSKYINH-LJQANCHMSA-N 409.870 1.940 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1644467129 XDEFHZCOPNSXQP-JSGCOSHPSA-N 402.310 1.749 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1644587101 DEIRWXRXIWNAPH-LJQANCHMSA-N 401.488 1.923 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1647951482 FILDSNJRAMBODN-CQSZACIVSA-N 404.517 1.635 30 10 HDEE COC(=O)[C@H](CNC(=O)COc1ccc(C#N)c(Br)c1)[C@@H]1CCOC1 1648879887 OZBUPVUSBZTYGJ-TZMCWYRMSA-N 411.252 1.641 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@H](NC1CC1)C(F)(F)F 1651257427 CPLNETTWBZRUMD-NHYWBVRUSA-N 418.441 1.414 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC[C@@H](C(=O)OC)[C@@H]3CCOC3)n[nH]2)c1C 1653863667 CWVVNHKDKBQDMM-HUUCEWRRSA-N 401.467 1.632 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H](NC(=O)OC(C)(C)C)[C@H](c2cnn(C)c2)C1 1654814142 FJTOMVGQDBWNTP-BPQIPLTHSA-N 418.542 1.721 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(I)cc1)C1CCOCC1 1664580170 RSVPCBBHPHCZLB-CQSZACIVSA-N 405.257 1.998 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C(=O)OC 1665501214 PMQANKKZXDTUBR-NSHDSACASA-N 417.285 1.586 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)NCC3(C#N)CCOCC3)c2)CC1 1667699940 DEMQEVUFDWOPQR-UHFFFAOYSA-N 421.523 1.065 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cccc2c(C(=O)OC)cccc12)C(=O)OC 1668852751 ZGPSWIITJMJKJY-INIZCTEOSA-N 407.444 1.649 30 10 HDEE C=CCCS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1670240317 VYWAIENIUPFRDT-NEPJUHHUSA-N 414.446 1.746 30 10 HDEE COc1ncc(NC(=O)N[C@@H](C)CCNS(=O)(=O)c2ccccc2)cc1C#N 1674321891 DOFXTAWCKXIELO-ZDUSSCGKSA-N 403.464 1.840 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(CC)cc2)C(C)C)CC1 1676531328 JDCQIWBFVNTXFY-LJQANCHMSA-N 406.552 1.741 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)NCC2(CC#N)CC2)[C@@H]2CS(=O)(=O)C[C@@H]21 1681956641 UNNWRHLZEKGGOI-KGLIPLIRSA-N 412.512 1.108 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCC(n3nncc3I)CC2)C1 1682188042 FDVOXYKKJVNGEA-WDEREUQCSA-N 414.251 1.921 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1683034582 SOUUUJDTXRLHQS-QGZVFWFLSA-N 402.432 1.547 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(Cc3cc(OC)ccc3OC)CC2)C1 1684083659 XSDYGFYKSGVCLB-IBGZPJMESA-N 400.523 1.629 30 10 HDEE C#CCN(C)c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1689972745 ZVSMDKMUXICINT-UHFFFAOYSA-N 403.508 1.005 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1689986856 YHCIGSYMGIRJIJ-INIZCTEOSA-N 414.491 1.255 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CC1 1690007381 BNDDGOJMPQUQFI-UHFFFAOYSA-N 400.486 1.754 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC)C2)CC1 1690411987 ZLPWFLHWCJWLOG-ROUUACIJSA-N 407.584 1.924 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690458211 ACHNBCPFYTYDAB-MRXNPFEDSA-N 407.544 1.553 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690669326 APPFOYLVXUMVKU-OAQYLSRUSA-N 413.526 1.723 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1690670971 MROKXLHLCILDQG-DLBZAZTESA-N 418.542 1.707 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@](C)(O)CC)C1 1690696796 JDIROUAYQNRZBX-VBKZILBWSA-N 403.483 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1690715414 LCLKGDBSCZTCFI-UHFFFAOYSA-N 420.495 1.422 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C)o1 1690729754 RPCZUNGHLZHLPN-UHFFFAOYSA-N 421.523 1.539 30 10 HDEE CCOCc1nnc(N2CCS[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696354989 HCHXFTQABTVSQJ-PHODEOQFSA-N 406.512 1.283 30 10 HDEE Cn1cnnc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)(C)C)CC1 1696873146 AFJKGMKIZDITRT-UHFFFAOYSA-N 405.510 1.914 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1705564823 QMHCOIJFQHAFOF-GOSISDBHSA-N 415.519 1.560 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1705580370 IDNLDUKUGODYHF-HXUWFJFHSA-N 413.485 1.595 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2ccn(C)n2)CC1 1705634074 ISNGCSVJTYLEPQ-UHFFFAOYSA-N 406.450 1.390 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1705735103 JHNMBSMCMZLNEX-MRXNPFEDSA-N 402.499 1.611 30 10 HDEE C=CCCCn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705823441 LSURBGUTKBEZJI-MJGOQNOKSA-N 404.559 1.770 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1705935087 GXIWIECZWYKCIE-MRXNPFEDSA-N 412.556 1.463 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1706058988 UAAOCJCJCRJHQW-MJGOQNOKSA-N 421.505 1.305 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 1706937673 QKFBYQDUKSLCBX-HOTGVXAUSA-N 407.540 1.879 30 10 HDEE C[C@H]1N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCOC1(C)C 1708275028 XXRCUJOGWYVVTO-ZIAGYGMSSA-N 419.507 1.697 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)CNC(=O)C2 1711397887 GHVWQKZFPXTOPQ-UHFFFAOYSA-N 407.478 1.059 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCOCC1 1722299716 RWJOJYBHRCUMOZ-HZPDHXFCSA-N 416.551 1.448 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722322319 RMNKNKXOBSJINV-UHFFFAOYSA-N 418.505 1.521 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1722358107 DQGKCQKYGIMMIL-INIZCTEOSA-N 421.567 1.335 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2ncn(C)n2)n1 1722429611 OWANKRFRBXWGQZ-UHFFFAOYSA-N 409.498 1.205 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](SC)C(C)(C)C)CC1 1722442355 YTZHSJYWAMHLHE-KRWDZBQOSA-N 418.611 1.933 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2nccs2)CC1 1722445724 BBSQNTJOCZICNE-UHFFFAOYSA-N 424.534 1.344 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](OC)C(C)(C)C)CC1 1722448352 SMMYSGMTJWQEEE-QZTJIDSGSA-N 417.554 1.809 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCN(CC)[C@H](C)C1 1722725269 HRHPIEWVRRLEHA-MRXNPFEDSA-N 404.540 1.471 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCO[C@@H]1CCOC1 1723605081 VSEBMFZYHCOVMK-OXQOHEQNSA-N 404.515 1.742 30 10 HDEE CCn1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)cn1 1728537064 DOYCTCPSTGHBOL-VQIMIIECSA-N 417.539 1.575 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C)(C#N)CC2)C1=O 1729593461 VJWWUWRZEPEHHE-OAQYLSRUSA-N 422.493 1.534 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1730881870 XJSAQSPPPCLXKI-DLBZAZTESA-N 407.515 1.733 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1740589944 DDMGJCKEZJRDPQ-INIZCTEOSA-N 407.496 1.254 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1740622794 IRCKSXUMBIDGNM-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCCNC(=O)c1occc1C 1740657111 PSHJZICJFIIUEF-SFHVURJKSA-N 409.490 1.966 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCC[C@@H]2C)CC1 1740695113 FFNXXQIPYSRAMO-IBGZPJMESA-N 408.554 1.755 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740718215 KBACGJXPXBVKIL-NVXWUHKLSA-N 418.567 1.579 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)OC)C1 1740880865 PPZRSQRSWAVVAB-MRXNPFEDSA-N 405.499 1.496 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CCn1cncn1 1740940680 OUBOFQXUFQYIOE-UHFFFAOYSA-N 421.465 1.524 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1740951620 JRMZJEVGXNMDLZ-UHFFFAOYSA-N 402.499 1.705 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740986753 GQCPFZYLMSROGV-DZGCQCFKSA-N 424.527 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cn(C)c3ccccc23)nnc1N1CCOCC1 1740990418 UIBFQGAFBVSOFQ-UHFFFAOYSA-N 415.519 1.874 30 10 HDEE CC(C)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1741271198 BVRKUDVOTOXPLE-INIZCTEOSA-N 411.466 1.047 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)N(C)C 1741863715 YBQRNOAHCUNLBZ-SZVBFZGTSA-N 423.521 1.394 30 10 HDEE Cc1nnc(N2CCc3cc(F)cc(F)c3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1742808612 PJTVXOLBBWYZFT-VHEBQXMUSA-N 414.416 1.954 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(C)cn2)CCOC1 1746699155 GGFHNEGKZCOINK-RTBURBONSA-N 403.462 1.577 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1748131333 HKHOBWJMHRUPPG-NRFANRHFSA-N 419.493 1.448 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)(F)F 1748638328 MZDYEDUSGULDHH-LLVKDONJSA-N 409.372 1.062 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748708201 ZGJUFADSCQCSKB-NRFANRHFSA-N 409.494 1.891 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748817995 ULBZOEXMBUYNMS-MRXNPFEDSA-N 418.519 1.533 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCc1nnc(C)s1 1748875706 VJNBULAWMHVEOM-WMZOPIPTSA-N 414.535 1.868 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2ccnc21 1748905486 FNVOICXGZVKFHU-LSDHHAIUSA-N 405.528 1.122 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749193738 OBMZHOKLSULINW-DLBZAZTESA-N 419.555 1.806 30 10 HDEE COCC1(CCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1749398048 WGKODVJTCABBKG-JKSUJKDBSA-N 402.499 1.555 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCO[C@H]1C 1749566296 YSKPNEZMPDBSOQ-KKSFZXQISA-N 422.493 1.639 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1749602521 HYOIHSGQAQUZTI-UWJYYQICSA-N 412.494 1.306 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OCC2CC2)C1 1749678021 SJLDKSQCPHXWHU-QGZVFWFLSA-N 416.526 1.098 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CCC1 1750191241 DPOKYTOIVZUMNR-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1Cc1ccc2c(c1)C(=O)NCC2 1760097023 ZAMPJLLQQCHTFB-HNNXBMFYSA-N 422.533 1.989 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1760192307 HMLOJBQINLBHOO-GDBMZVCRSA-N 405.480 1.101 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1760217119 PNVRJVFNTQCQGW-SIKLNZKXSA-N 408.506 1.870 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(F)c1 1760249155 INKUOBKUIVGJQG-OAHLLOKOSA-N 424.473 1.593 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2Cc2nccn2C(F)F)n1 1760252742 QOFNRFROQJFUQS-UHFFFAOYSA-N 404.425 1.709 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C(C)C)CC1 1760256995 YKGQKPYGJIYWAX-UHFFFAOYSA-N 415.929 1.521 30 10 HDEE C=C(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760341274 PDGINTUPQHAWLM-OAQYLSRUSA-N 411.510 1.803 30 10 HDEE C=CCn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1[C@@]1(OCC)CCOC1 1760513013 GNIXEBSUPDRYIY-GHTZIAJQSA-N 404.559 1.332 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)C1 1760549544 GRQQWKJEOUBFRW-SFHVURJKSA-N 420.477 1.687 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)(F)F 1763016980 FHQJIEXPHXZRIB-UHFFFAOYSA-N 409.372 1.054 30 10 HDEE CCO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1766182680 GDNVZOIQHZWZLY-GOSISDBHSA-N 412.494 1.822 30 10 HDEE CCCNC(=O)CCn1c(CC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1766231756 BKTFGTXDXXXUOQ-OAHLLOKOSA-N 411.514 1.134 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1 1766689834 GWRSVCGTRPICFX-UWJYYQICSA-N 417.558 1.718 30 10 HDEE CCOC(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1767328534 HAQQAIMKBXASML-QGZVFWFLSA-N 412.494 1.583 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC2([S@](C)=O)CC2)CCOC1 1767449939 HSYXKRFKVHCSDO-PYGIEMITSA-N 421.567 1.971 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)c1ccco1 1768471134 HKYXQEGLEHFCGS-YESZJQIVSA-N 400.483 1.797 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1769273231 STDWUMIGFFTUOL-UZLBHIALSA-N 414.441 1.832 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1770345349 FWQGSHZKIFRVOU-JKSUJKDBSA-N 404.471 1.429 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)CC[C@@H]1C 1770632286 KLLZORVZPFNYRG-QFBILLFUSA-N 424.505 1.537 30 10 HDEE CS(=O)(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1771345081 AOBFNOSPDQONNR-SFHVURJKSA-N 417.535 1.993 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(N)=O)nc1 1771543677 CZRQXJRRLGPQNJ-UHFFFAOYSA-N 422.493 1.073 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3cccnc3O[C@@H]3CCOC3)CC2)CC1 1848973148 BGVYRARRFHOULQ-GOSISDBHSA-N 412.490 1.864 30 10 HDEE CCOc1ccc(CN2C[C@@H](C(=O)N=c3nc(C)[nH]cc3C#N)CC2=O)cc1OCC 1851630113 RMHFXGOMFBRNBX-INIZCTEOSA-N 423.473 1.863 30 10 HDEE N#Cc1cc2c(cc1CC(=O)NCC1CCN(S(=O)(=O)C3CC3)CC1)OCO2 1852044629 QJIUFULCEDBEFA-UHFFFAOYSA-N 405.476 1.150 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCN(Cc2cnnn2-c2ccccc2)CC1 1852408222 WEMILSAEJFGYFQ-UHFFFAOYSA-N 402.458 1.862 30 10 HDEE N#Cc1ccc([C@@H](CC(=O)OC[C@@H]2CNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1852606106 CWNJFJPKEHIONC-AZUAARDMSA-N 419.437 1.704 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccccc2F)C1=O)[C@@H]1CCN(C)C1=O 1853682558 MGJMDPGPYCSFRS-DLBZAZTESA-N 403.454 1.441 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2csc(-n3cccc3)n2)C1=O)[C@@H]1CCN(C)C1=O 1854175354 NBWOGQNZEPXDHL-CVEARBPZSA-N 413.503 1.394 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(C[C@H]4CCCO4)C3)CC2=O)cc1 1854186390 ODMFJQJACLSEKG-LEWJYISDSA-N 410.518 1.415 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ncccn1 1854467002 VQRIFKWPECDSIO-UHFFFAOYSA-N 412.471 1.959 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(n3cnc4ncccc4c3=O)CC2)CCC1=O 1855751123 KSMJDGJDLCPFKI-HNNXBMFYSA-N 408.462 1.107 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CCN(C(=O)c3coc(C)n3)[C@H](C)C2)CCC1=O 1855826010 XGVQNWOVICOHHD-WBVHZDCISA-N 402.495 1.861 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C[C@H]2CCOC2)CC1 1855862268 MCSIKVGCZKQOSI-OAHLLOKOSA-N 417.487 1.453 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)Cc2ccccc2)C1)C1CN(c2nccnc2C#N)C1 1856266820 MCUDRMJVWWBTOX-KRWDZBQOSA-N 404.474 1.086 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@@H](N(C)CCC#N)C3=O)CC2=O)cc1 1856451657 LIBTZMJBGFHMTM-QFBILLFUSA-N 412.490 1.801 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3cnccn3)C(=O)C23CCCC3)cc1 1856593425 YLOWTBJKGFGUBT-UHFFFAOYSA-N 403.442 1.828 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)Cc3nc(C4CC4)no3)CCC2=O)CC1=O 1856798645 OYVVBAJBKPKDAX-GDBMZVCRSA-N 415.494 1.179 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3ccc(F)cc3F)C2=O)CC1 1857065972 DBHWOCOGEYBNNB-GOSISDBHSA-N 411.412 1.795 30 10 HDEE CCCc1cc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)no1 1857071043 ALZBTHFRSDLOBY-SFHVURJKSA-N 408.462 1.457 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccccc2Cl)C1)[C@H]1CCN(C)C1=O 1857316814 QUGRSZDPRVQECG-WBVHZDCISA-N 419.909 1.813 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C(=O)C2)cc1 1857404339 ZYANISOKTREZBN-UHFFFAOYSA-N 411.483 1.593 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)N2CC[C@@H](O)C2)OC1(C)C 1914063444 XAOPTEJMIUNISL-GFCCVEGCSA-N 402.709 1.363 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H](CCNC(=O)OC(C)(C)C)C1 1982921631 LLVRTYIPUJRDQX-LBPRGKRZSA-N 413.334 1.840 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1987703021 YWXXWWOZEALNOP-BYNSBNAKSA-N 410.320 1.670 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@@H](C)[C@@H](CS(N)(=O)=O)C2)C1 2183036169 ORUPEWWAAJEYDO-ZIAGYGMSSA-N 401.529 1.231 30 10 HDEE CCOCCS(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206347143 PMDCCOHGHRARBC-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2cccc(C#N)c2)s[nH]1 2238245379 YLYSWLFMEXARNL-UHFFFAOYSA-N 409.493 1.700 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](NC(=O)[C@H]2C[C@@H](B3OC(C)(C)C(C)(C)O3)C2)C1 2243431760 NZAQWSYCITXFOO-BARDWOONSA-N 410.320 1.955 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247779590 WMTCNDKLYKYNCE-STQMWFEESA-N 422.335 1.751 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247827275 GSMYIGHASPXOGH-CYBMUJFWSA-N 420.319 1.696 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2CC[C@H]2NC(=O)OC(C)(C)C)n1 2247845459 RAISXUZLCFKNKR-UONOGXRCSA-N 420.319 1.505 30 10 HDEE Cn1cc(C(=O)N2CC3(CN(Cc4ccccc4)C3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255831949 FHWNNZLMJYKYQC-UHFFFAOYSA-N 422.338 1.677 30 10 HDEE CCc1nc(C(=O)N[C@H](C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282031532 TXXJCIPONIYXSU-SNVBAGLBSA-N 402.347 1.168 30 10 HDEE CN(C[C@@H]1OCC[C@@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282333140 KWZBCOTXMHWFCO-STQMWFEESA-N 405.322 1.795 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C(C)(C)CN1 2282336955 ICHKVFCEBSBZKL-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC4(C3)C[C@@H]4N)cc2Cl)OC1(C)C 2282413810 JWDWEVZLQHXVTC-UTJYPRCQSA-N 418.777 1.859 30 10 HDEE CN(C[C@@H]1CCC[C@@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282416762 AILRGWIDMNAMJL-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE CNCC[C@@H](C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282491659 OKKOCLUTTHUNCA-GFCCVEGCSA-N 403.379 1.202 30 10 HDEE CN(C)[C@@H]1COC[C@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282614682 TUSMQMIIAHNKMU-VXGBXAGGSA-N 400.737 1.760 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CNC[C@@H](F)C3)cc2Cl)OC1(C)C 2282829935 MWCIIWNELYCBBL-UWVGGRQHSA-N 424.756 1.679 30 10 HDEE COC(=O)NCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282834572 LKGHEWAUGQTJAM-UHFFFAOYSA-N 424.737 1.335 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCNC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282835100 PKCXVOIIPOUOGP-NEPJUHHUSA-N 404.338 1.334 30 10 HDEE CC(C)[C@@H](C)[C@H](N)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854741 VKTAHQDRYXBNOP-TZMCWYRMSA-N 402.391 1.945 30 10 HDEE CNC1(CNS(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)CC1 2282869855 JHBHHEFEPNPGSJ-UHFFFAOYSA-N 400.375 1.694 30 10 HDEE CC[C@@H](CSC)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282870334 QHLKAEXINSUTKX-LBPRGKRZSA-N 403.379 1.448 30 10 HDEE C=CCN(CC(=O)O)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284396989 ZZAGACNFRDIEGJ-UHFFFAOYSA-N 401.315 1.617 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS[C@@H](C(=O)O)C2)OC1(C)C 2284398435 YBVNCMISWWJLEU-LLVKDONJSA-N 419.355 1.238 30 10 HDEE CCN(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284415776 QGHUEZKTXFHJGQ-UHFFFAOYSA-N 403.693 1.734 30 10 HDEE C[C@@H](O)CN(CCNC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)cc(C#N)c1 2285472457 JRJJHVVRKYWUPM-GFCCVEGCSA-N 401.460 1.594 30 10 HDEE O=C1C(=Cc2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 2293031270 FDYHAZMPBGFPFV-UHFFFAOYSA-N 424.453 1.847 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nc(O)c2[C@H]1C=Cc1ccccc1 2293261916 ONYIBFDOIKZNMM-HOTGVXAUSA-N 418.457 1.773 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1ccccn1 2330772836 YWZFUWMRSPMRTM-UHFFFAOYSA-N 415.523 1.732 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2[C@H]2CCCO2)cc(Cl)c1O 2330939309 ROYGESMFKUMKMH-LLVKDONJSA-N 411.871 1.957 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(C[C@@H](O)C#CC(C)(C)S(C)(=O)=O)cs1 2339649916 ZVMGVEWWAGECIO-ZDUSSCGKSA-N 402.538 1.898 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2342052849 FUCIDXYNXFLIHP-WIYYLYMNSA-N 420.531 1.319 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@H](O)c1cc(I)nn1C 2361378064 FFKLTRUGHXGZQI-MFKMUULPSA-N 405.305 1.935 30 10 HDEE CO[C@@H]1CN(C(=O)c2c(Br)c(Br)nn2C)CCC1=NO 2364274964 YGLKROCUPKEHQO-SSDOTTSWSA-N 410.066 1.636 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365241315 OLNKYLJGEWXLLW-ZIAGYGMSSA-N 405.513 1.834 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788778 QJLUAXREXMNDST-KBPBESRZSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367806057 HNDSXOFXMJJJAH-VKJFTORMSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CCC([C@@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367814689 BTZDQFALZGQJMM-MAUKXSAKSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367847762 OEBZDCBOLWIEBQ-LBPRGKRZSA-N 413.521 1.514 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC(N3CCC(C(=O)NC(C)C)CC3)CC2)CC1=O 15078438 BACLJDWOOGTZDM-SFHVURJKSA-N 404.555 1.249 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 16836068 XKLYWOQXASVRBO-CQSZACIVSA-N 409.508 1.385 30 10 HDEE CC1(C)OB(c2cnc(N(C[C@H]3CCCCN3CCN)C3CC3)nc2)OC1(C)C 204876016 NVHRWOKSHKMLBV-GOSISDBHSA-N 401.364 1.558 30 10 HDEE CCOC(=O)C1=C(N)n2c(sc(=Cc3ccco3)c2=O)=C(C#N)[C@@H]1c1ccco1 254612219 NDWRTKZCESUJBG-OAHLLOKOSA-N 409.423 1.087 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 409479752 YVSHNUWHFUGMEH-KRWDZBQOSA-N 412.556 1.208 30 10 HDEE C[C@@H](C(=O)NCCCNC(=O)c1ccc(Br)cc1)n1cnc(C#N)n1 409630887 MMYHUASICVZNKE-NSHDSACASA-N 405.256 1.410 30 10 HDEE CC(C)Oc1cc(NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)ccc1C(N)=O 433710264 ZCKWVTLLKISQRM-AWEZNQCLSA-N 423.477 1.977 30 10 HDEE CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)N2CC3(CCOCC3)c3ccccc32)n1 434545453 XIDJAPNMCHFBCA-UHFFFAOYSA-N 407.474 2.543 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)cc2F)ccc1F 443083120 UHYDOFKNJTXOKN-UHFFFAOYSA-N 419.406 1.232 30 10 HDEE CCCc1c(NC(=O)C(=O)N2CCN(C(C)=O)C[C@@H]2C)cnn1-c1cccc(C#N)c1 443685064 MPDZNBNWZZRGNE-HNNXBMFYSA-N 422.489 1.714 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCC(=O)N2CCOCC2)CC1 446503103 AJHIPVIZTKRCOA-UHFFFAOYSA-N 401.467 1.191 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)C2)n(C)n1 446941058 IOFFQFVTGJXLIK-GOSISDBHSA-N 408.510 1.496 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N1CCOC[C@H]1C#N 464790010 ADLBICXZSOVFJM-DGCLKSJQSA-N 401.282 1.610 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cncc(-c3ccc(N(C)C)cc3)c2)CC1 471493158 LETAESLUKHDTOE-UHFFFAOYSA-N 407.518 1.875 30 10 HDEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 471897423 HUZRJFZXGMJFDQ-KRWDZBQOSA-N 413.521 1.164 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(O)nc(C3CC3)c2)CC1 473499849 VJXAMVVUYPAAND-UHFFFAOYSA-N 412.471 1.683 30 10 HDEE Cc1ccc2nc(CNC(=O)C(=O)N3CCN(c4cccc(C#N)n4)CC3)[nH]c2c1 484084914 BKYSDYUDFTWAEK-UHFFFAOYSA-N 403.446 1.103 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 491164951 CQKIYYPBFAXNPP-QGZVFWFLSA-N 408.437 1.729 30 10 HDEE COCc1nc(OC)c2c(C)c(C(=O)N3CCN(C(=O)CC#N)CC3)sc2n1 503642396 IMWZYKCTQLBSMI-UHFFFAOYSA-N 403.464 1.353 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOc1ccccc1 508497418 LDGCDQRYHPUPJN-KRWDZBQOSA-N 421.523 1.312 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 508507725 IZRJGCMMTYLVCY-HOTGVXAUSA-N 416.551 1.613 30 10 HDEE Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(c2ncccc2C#N)CC1 508569093 HSMNWEPTMZGXIS-UHFFFAOYSA-N 408.491 1.400 30 10 HDEE CN(C1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1)S(C)(=O)=O 613153272 ODTQQUGUCSNCIV-UHFFFAOYSA-N 403.468 1.027 30 10 HDEE CC(=O)c1ccc(N2CCN(C(=O)COC(=O)c3ccc(C#N)nc3)CC2)c(F)c1 734600030 TXAJPOAWOBJSPI-UHFFFAOYSA-N 410.405 1.801 30 10 HDEE C=CCn1c(C2CC2)nn(CN2[C@H]3CC[C@H]2[C@@H](C(=O)OC)[C@@H]3C(=O)OC)c1=S 747832958 QHVLMOKBUXDAPF-BYNSBNAKSA-N 406.508 1.860 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ccsc2)C1 758710580 MNDWLNCFRIIAEV-HNNXBMFYSA-N 405.501 1.777 30 10 HDEE CC[C@H](C#N)NC(=O)C[C@@]1(C(=O)N[C@@H](C#N)CC)CCN(C(=O)OC(C)(C)C)C1 758954184 MOCCSDUATGKVSF-SXGZJXTBSA-N 405.499 1.840 30 10 HDEE COc1cc(N2CCN(CC(=O)[C@@H](C#N)c3nc(O)c4ccccc4n3)CC2)ncn1 763940616 LBDODKNQJJJLIC-OAHLLOKOSA-N 419.445 1.132 30 10 HDEE C#CCN(C(=O)NCCc1ccccc1OC(F)(F)F)[C@H]1CCS(=O)(=O)C1 774248988 FZKRRVYWVPGSDV-AWEZNQCLSA-N 404.410 1.960 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OCCOCC)[C@@H]1CCS(=O)(=O)C1 774250415 LZLYMAOIEPLEGB-GOSISDBHSA-N 408.520 1.742 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 774681186 ZHRQYRDEKNQSRK-XGHQBKJUSA-N 414.462 1.325 30 10 HDEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 775028400 DDCIAEFTJKMIIH-ORIGZDJFSA-N 405.476 1.190 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)CCc1ccc2c(c1)CCO2 778875722 IVIXCGOXYXGLAY-AWEZNQCLSA-N 400.456 1.949 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccccc2Cn2cccn2)cc1 780218445 QGIWNIOJJMVJAG-OAQYLSRUSA-N 404.426 1.696 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 788575397 IDJYPNSPMMYDEL-QZMYASAMSA-N 419.507 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)n1 788695184 GLDZFEVHPWANNP-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C=NNC(=S)NCCN2CCOCC2)COC1(C)C 792892037 ZPEJUVJELANJOB-AWEZNQCLSA-N 415.560 1.141 30 10 HDEE COC(=O)[C@](C)(NC(=O)[C@@H](C)n1cnc(C#N)n1)c1cccc(Br)c1 798433057 UXMAIABFFWNWNZ-QLJPJBMISA-N 406.240 1.678 30 10 HDEE COCCn1c([C@H]2COCCO2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 802428590 XGJBAKUDLQKOKK-LJQANCHMSA-N 413.478 1.932 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 809897168 XRPQANASWWYRNH-LSDHHAIUSA-N 420.514 1.487 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCN(C(C)C)C[C@H]2c2cnn(C)c2)c1 849502908 GAXOHKYGIICCTG-SFTDATJTSA-N 407.518 1.970 30 10 HDEE CCN(CC)C(=O)CN1C(=O)C(=NNS(=O)(=O)c2ccccc2)c2ccccc21 1084452253 DPJQHSRXMZLJIX-UHFFFAOYSA-N 414.487 1.584 30 10 HDEE Cc1c(C(=O)Nc2c(C#N)c(C)c3ccccn23)cnc2c1c(=O)n(C)c(=O)n2C 1128937453 RIROMGUPGJZUOD-UHFFFAOYSA-N 402.414 1.626 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(-c3nc4ccc(C)nc4[nH]3)c2)C1=O 1132792562 IFTYRMLQMBQQNW-UHFFFAOYSA-N 418.413 1.849 30 10 HDEE N#C[C@]12CN(C(=O)C(F)(F)c3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1134649661 JNKOLQATMDSROS-IINYFYTJSA-N 419.247 1.938 30 10 HDEE N#Cc1cn(CC(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c(=O)nc1O 1141292911 BXWQESZSLLICFS-UHFFFAOYSA-N 401.854 1.208 30 10 HDEE COc1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc(Cl)c1OCC(N)=O 1165489224 JYVDNSPMMZFNQG-INIZCTEOSA-N 417.849 1.890 30 10 HDEE CC(C)(C)[C@@H]1CNC(=O)CN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1176474659 PEOBYUUJMCYORK-WBVHZDCISA-N 403.552 1.303 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1211887197 SOYVRCQULOJRNV-NEPJUHHUSA-N 410.311 1.474 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)cn1 1213308103 FGGVOBOMXVXDIC-UHFFFAOYSA-N 420.516 1.304 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1CCOCC1 1222086979 CVUZLMDCTUEYCJ-HXUWFJFHSA-N 419.547 1.708 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 1225939204 WSQBKJDQOKHAQP-STQMWFEESA-N 400.501 1.012 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCCCC(=O)NC1CCN(C(=O)OCC)CC1 1264537153 YAXWFTFJRVFWAZ-KRWDZBQOSA-N 410.515 1.091 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)Cc1csc([C@H]3CCS(=O)(=O)C3)n1)CC(=O)N2 1275006853 BCTVGANOSDSHAY-LBPRGKRZSA-N 416.484 1.445 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1)c1ccccc1 1277180211 BPIFXDFKSITQAK-SFHVURJKSA-N 400.504 1.620 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCOCC1 1286272605 BJOOFGAXOWMNTM-HRAATJIYSA-N 419.526 1.059 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1CCNC(=O)c1cc[nH]n1 1286306186 RUPXEXKWGFKVJY-HNNXBMFYSA-N 423.477 1.477 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1286398482 KAZTXGKVEWRELC-DOTOQJQBSA-N 419.507 1.409 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(CN2CCCC2=O)n1Cc1nncn1C 1286750050 NDOMSTISCMAJCO-UHFFFAOYSA-N 412.523 1.831 30 10 HDEE C=CCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286777579 HGALHJDUUQLCQF-FXAWDEMLSA-N 402.499 1.816 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1286783599 WCCVPHWCRUXMRN-AWEZNQCLSA-N 403.870 1.900 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1286789263 CZJNMHHEXMXUGI-UHFFFAOYSA-N 423.583 1.717 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1286793395 XDLDTMAQBIIVRN-MRXNPFEDSA-N 414.514 1.012 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1288354292 IHDZMWFIMVJWHA-HRAATJIYSA-N 417.462 1.476 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1288976855 GBPDDQSGSPYQCT-YLJYHZDGSA-N 418.567 1.572 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3(c4ccccc4)COC3)C2=O)cc1 1289306891 MOSJVMIPZBBZJV-SFHVURJKSA-N 404.426 1.805 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1293465720 FDHUMRYSOPXDLG-OAHLLOKOSA-N 402.524 1.992 30 10 HDEE CC/C=C/Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1293694514 KPUCJZXKXINVFP-SZTZYQKNSA-N 405.462 1.887 30 10 HDEE C#CCN(CC(=O)N1CCN(C2CCN(C(C)C)CC2)CC1)C(=O)OC(C)(C)C 1295248452 GJPLHFIOURHYLN-UHFFFAOYSA-N 406.571 1.874 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1 1295404835 CCUWWWYPRSOMEY-KRWDZBQOSA-N 413.865 1.605 30 10 HDEE Cn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CC(C)(C)O)CC2 1298902532 CTWVNSGHRATVLU-UHFFFAOYSA-N 405.462 1.244 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CC1(C)COC1 1300438426 MKTRMVJOSBJGEV-UHFFFAOYSA-N 402.524 1.653 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc2c1OCO2)[C@H]1CCS(=O)(=O)C1 1300498315 IYOBTYPTHCBMTP-HNNXBMFYSA-N 402.476 1.244 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1300620966 IESXYHIGKTXNRV-SJLPKXTDSA-N 406.490 1.742 30 10 HDEE COc1ccncc1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@@H](C)C#N 1300686808 GMZJJUUXFPZKDA-AWEZNQCLSA-N 406.450 1.973 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2c(C)noc2C)CC1 1300710603 IHXRIPUBQREFQO-HKUYNNGSSA-N 414.510 1.410 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1301458581 XTRAUHTYZBLRCX-OAGGEKHMSA-N 407.515 1.980 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1301497761 CYRFQVACTFEEIE-HZSPNIEDSA-N 417.432 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N(C)CC(=O)NC(C)C 1301577378 IRADYJACNGXOKL-UHFFFAOYSA-N 405.524 1.507 30 10 HDEE C=C(C)Cn1c(SCC(=O)N(CC(N)=O)C2CCOCC2)nnc1-c1ccco1 1303125453 NUEOYTFVFNOGNA-UHFFFAOYSA-N 419.507 1.699 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)C1CCOCC1 1313043920 XABCXXHKQKMADM-BJLQDIEVSA-N 404.555 1.247 30 10 HDEE CON(C)C(=O)[C@H](C)NC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1313093505 BLSUDLXJCDPJRH-AWEZNQCLSA-N 413.482 1.275 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(C(=O)NCc3nc(C#N)cs3)C2)C1 1313351623 WDYBQICRZUEKMJ-SFHVURJKSA-N 407.496 1.936 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1 1314550166 VCIUWPUPWQBHJY-GOSISDBHSA-N 418.527 1.195 30 10 HDEE CN(C)C(=O)c1cccc(CCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1314625515 GRWUCNFKLXKRGY-OALUTQOASA-N 424.505 1.455 30 10 HDEE COC(=O)[C@@H]1CCC[C@H]1NCC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1328769964 FSNVKCIRVRWYPE-GUDVDZBRSA-N 402.470 1.466 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1342227270 BPTMRBAWHSTBBH-NSHDSACASA-N 424.338 1.818 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1355420335 RGLBCWYZPHWLCS-SFHVURJKSA-N 414.572 1.111 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1CC1([S@](C)=O)CC1 1359019788 GUVBEQUTLGURKL-NDEPHWFRSA-N 402.520 1.951 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359036776 IPQQPCJVCCXAGR-IBGZPJMESA-N 424.524 1.678 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@@H](CC)C1 1359298633 HHFHYADARIXCKY-OAHLLOKOSA-N 421.505 1.731 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1359303834 CCZRHEWZIFEGQB-IRXDYDNUSA-N 400.527 1.719 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@H](O)CN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1445365842 CNPKTTJTORTYJR-SFHVURJKSA-N 418.343 1.059 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)c2cccnc2)CC1 1446579777 QZIUTEMNEXZWOZ-KRWDZBQOSA-N 415.494 1.953 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@H](c1ccncc1)C1(CO)CCC1 1454042870 OIMFECKTHYRVLC-GOSISDBHSA-N 414.487 1.140 30 10 HDEE CC1(C)OB(C2CCN(C(=O)C3CCC4(CC3)NC(=O)NC4=O)CC2)OC1(C)C 1455328845 TWERTHUWKXVUCS-UHFFFAOYSA-N 405.304 1.840 30 10 HDEE COC(=O)[C@@H](Cc1cc2ccccc2o1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1455604070 GXYYQRXDNIPJEC-MVZUJROASA-N 411.414 1.550 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NCc2cncc(C#N)c2)C1=O 1456018408 HLVKDMMCMJBTBV-NRFANRHFSA-N 407.430 1.354 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC1CCCC1 1456939763 LKFMPODCPJZLGT-WMLDXEAASA-N 421.519 1.711 30 10 HDEE Cn1cc([C@@H]2CN([C@H](C(N)=O)c3ccc(C#N)cc3)C[C@H]2NC(=O)OC(C)(C)C)cn1 1460273060 FXFRTXXUVNBERV-OTWHNJEPSA-N 424.505 1.811 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@H]1CCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1460536245 YSPYJSXZHSVYQK-HNNXBMFYSA-N 406.442 1.675 30 10 HDEE CC(=O)NC[C@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1460552093 GWXIJAORYOPSSZ-NHCUHLMSSA-N 415.513 1.525 30 10 HDEE COC(=O)C[C@H](C)N1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1465736589 OQJSXQPIBWQXLA-JKSUJKDBSA-N 410.515 1.669 30 10 HDEE C#CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1C(N)=O)C(=O)OC(C)(C)C 1466156700 JKLSCLRBRJEGLC-UHFFFAOYSA-N 416.478 1.431 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(N)(=O)=O)cnc1C)c1ccc(Br)cc1 1468451741 SNACZCILBZWDDY-HNNXBMFYSA-N 408.277 1.904 30 10 HDEE Cc1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1S(=O)(=O)NCC#N 1469872963 YIMOLNRFVHILPU-SFHVURJKSA-N 412.471 1.474 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(c4cccc(F)n4)CC3)C2=O)cc1 1470032693 JXSNIUUHOCTNRS-SFHVURJKSA-N 422.464 1.725 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c1 1475303988 GEJOPSLBVQNNJR-QAPCUYQASA-N 404.492 1.535 30 10 HDEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1)C1CC1 1504001767 DVVKTUIDQGABGE-LJQANCHMSA-N 424.505 1.855 30 10 HDEE CO[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C 1504505376 UIAPUEOZWOEWHN-PWBREFGWSA-N 416.526 1.963 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC=CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1504953446 FAZVEFGXDDISRM-UHHPSXQGSA-N 416.482 1.295 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@]2(O)CCN(C)C2)c1 1507552110 KIAIBNLSGQXYEP-HSZRJFAPSA-N 422.533 1.353 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1507579537 ZKQUJHXOALYGQN-UTKZUKDTSA-N 416.526 1.901 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(C(N)=O)CCOCC2)CC1 1507729371 ZUZXDMAPQLBSBA-UHFFFAOYSA-N 414.554 1.048 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](COC)C1 1508091805 NWBWRZUYTDMOMS-AWEZNQCLSA-N 418.523 1.045 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1508159384 NDYOZDQDUQBNGI-UGSOOPFHSA-N 406.512 1.179 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1508422251 DLVXDUSEYAZHQW-WDHIOAMHSA-N 421.567 1.717 30 10 HDEE C[S@](=O)Cc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1519636149 FCWNNBOTGJZNQH-FOLRYPLNSA-N 415.519 1.438 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(OC)c(S(=O)(=O)N(CC)CC)c2)nn1 1526049965 UHBPNCAANJFDBD-UHFFFAOYSA-N 407.496 1.433 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@@H](C)O1 1530117162 IGXZGSQOGWVHKR-ZACQAIPSSA-N 407.536 1.992 30 10 HDEE CNC(=O)[C@H](CNC(=O)[C@@H](C)n1cnc(C#N)n1)Cc1ccc(C(F)(F)F)cc1 1530751161 JDJKDNZHWMPTJM-YPMHNXCESA-N 408.384 1.451 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCC(CN2CCNC2=O)CC1)c1ccccc1 1538537947 JKVJAQMRPCVMKK-UHFFFAOYSA-N 411.506 1.977 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCSC1 1539238413 WKXUORKAKRXLKK-PMACEKPBSA-N 404.536 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC=C 1539242381 SXJFKHGBNVEMQM-UHFFFAOYSA-N 401.268 1.411 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCC(=O)N(C)C 1539291481 RCBVGAOLOFWJJP-UHFFFAOYSA-N 407.478 1.257 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CC1(N(C)C)CCOCC1 1539407400 AJODFWZWEAZRIK-UHFFFAOYSA-N 400.527 1.480 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CC2CCOCC2)CC1 1539477769 XZKLUHKFMWQWGP-UHFFFAOYSA-N 411.510 1.071 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1539705168 QMGRZMRHLCKHJZ-IRXDYDNUSA-N 423.583 1.745 30 10 HDEE C=CCn1c(N2CCN(C(C)=O)CC2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1540861383 OJGMFZFOAFQQPL-IYBDPMFKSA-N 404.515 1.903 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CCOC(C)C)CC1 1540871438 LSTMMNZNHOKKEP-UHFFFAOYSA-N 406.575 1.716 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](n3cncn3)C2)n1Cc1ccc(C#N)o1 1541666207 RWKPVSDTXVCYJX-AWEZNQCLSA-N 409.454 1.362 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@@](C)(C#N)CN(C)C 1544117491 VNTCYOMGOLPFPA-LRDDRELGSA-N 416.341 1.819 30 10 HDEE C[C@@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCC(=O)N(C)C)CCO2 1545150401 ATMKGJGHMCGKIT-AOMKIAJQSA-N 424.505 1.679 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1547885938 WTZYNEJXYZOHFG-WOJBJXKFSA-N 405.499 1.476 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554244418 XXHUBJARQXUWJE-IJYGLTAASA-N 400.483 1.230 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@@H]2CCOC2)CC1 1555991952 BHYNBLNXAPGHDI-SFHVURJKSA-N 416.526 1.584 30 10 HDEE CC1(C)[C@@H](N2CCOCC2)C[C@H]1NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1557316781 PXVMVDSKLJXGCA-MSOLQXFVSA-N 420.535 1.108 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1557385453 DPHJBSNEZBOCON-SCTDSRPQSA-N 408.376 1.861 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1C1CCOCC1 1558724983 RFBVCNRXNWOIEN-CYBMUJFWSA-N 403.464 1.412 30 10 HDEE C#CCn1cc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(CC)c(=O)n3CC)cn1 1558974949 GHDYHLXHUKNQAH-UHFFFAOYSA-N 423.477 1.103 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCOC[C@@H]3c3cccc(F)c3)CC2)o1 1560001672 FLEJAZRTMGBQGE-LJQANCHMSA-N 413.453 1.716 30 10 HDEE N#Cc1c(NC(=O)CN2CCS(=O)(=O)C[C@@H]2CCO)sc2c1CCCCC2 1560160122 OELAECUOVDTWDH-ZDUSSCGKSA-N 411.549 1.309 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(F)cc1 1564995597 BUHGXIOLDUTNHH-SXOSEBPOSA-N 422.478 1.698 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2sc(-c3ccccc3F)nc2C)CC1 1568701271 KZXCMXUXPUIMSP-UHFFFAOYSA-N 400.479 1.765 30 10 HDEE COC(=O)C[C@@]1(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCOC1 1584519597 AFBHMFDQOSDQSD-YJYMSZOUSA-N 405.838 1.403 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c(c1)OCCO2 1588224037 NHUAXGRAVUXXKA-SFHVURJKSA-N 419.485 1.706 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(=O)NCCC 1588694603 APHRIWUYBXJZPT-SJLPKXTDSA-N 405.543 1.809 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2CCCCOC)CC1 1588837053 PRZOASHAWXWBSY-HXUWFJFHSA-N 411.506 1.972 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)NC)CC1 1588976177 QXAWSUTUTMVXAL-UHFFFAOYSA-N 421.571 1.024 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)C 1589581240 QRKNDEZFYSANGO-WMZOPIPTSA-N 405.543 1.852 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCS(=O)(=O)CC 1594895351 HTUIHBRTLWFPFL-UHFFFAOYSA-N 412.537 1.406 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCN(C2CC2)C1)C1CC1 1595020200 AKWGUXKHFNSYGN-CABCVRRESA-N 408.572 1.527 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1595496811 IBWIAQGYLIWGSD-QGZVFWFLSA-N 412.494 1.361 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 1611321575 JRLBKPJVBJMLPA-MRXNPFEDSA-N 413.482 1.508 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)nc1 1611667051 MHGDBMGEZLTGEZ-KRWDZBQOSA-N 424.486 1.206 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cc(C)nn2C)cc1 1612144302 DLBYSSQLTIDDRV-IBGZPJMESA-N 407.478 1.985 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3C[C@H](C)N(C)C)CC2)c1C#N 1612469523 BHJYDEOEWMYHQP-INIZCTEOSA-N 413.574 1.667 30 10 HDEE CC[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1)OC 1613615655 BHDNVYSCCNHYKS-CVEARBPZSA-N 419.507 1.502 30 10 HDEE CCC[C@](C)(O)Cn1c(COCC)nnc1N1CCN(c2ncccc2C#N)CC1 1614344270 CVUZUUMNMHVOCR-NRFANRHFSA-N 413.526 1.959 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(C#N)C1 1617371370 OHMBYNZOLZBZOL-GOSISDBHSA-N 420.543 1.138 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)/C=C/c1ccccc1C#N)CCS2(=O)=O 1618580611 GUKRPJFJPCQHMA-ARJSBHLZSA-N 402.472 1.587 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN([C@H]2CCN(C)C2=O)CC1 1623645287 YHKIGZWOSGVXRY-SJORKVTESA-N 406.527 1.104 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1624176458 BHVKTOCTASWLDV-HOCLYGCPSA-N 404.467 1.546 30 10 HDEE C#C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1625165206 HCFCXIAMTLJCGF-NSHDSACASA-N 421.338 1.022 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCc1ccccc1 1625796002 IAKOUUSIHGGBNA-KRWDZBQOSA-N 423.535 1.529 30 10 HDEE CCOC(=O)[C@H]1CSCN1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626805372 CVUFGKAXFJUVOF-HUUCEWRRSA-N 416.459 1.228 30 10 HDEE COCCN(C[C@H](O)C(F)(F)F)C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1628078600 GUAAYUNBNDEQCJ-OLZOCXBDSA-N 411.421 1.972 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)[C@@H]3C[C@@H](O)CN3c3ccncn3)CC2)c1 1631704036 BIUWALFSBPGSOZ-UXHICEINSA-N 406.490 1.069 30 10 HDEE COCCN1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1631905626 VKIUSQQICVGEKV-HNNXBMFYSA-N 422.551 1.073 30 10 HDEE CN(C)[C@H]1[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]21 1635444779 GTXKXJXMSSZRRQ-MNZLEMJZSA-N 404.536 1.304 30 10 HDEE COC(=O)c1cc(C)cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1636349244 BTEAUYUZHCJBLT-CYBMUJFWSA-N 401.444 1.959 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCCN(CCF)C1 1638856573 NJNILFVYZUNBEO-RDJZCZTQSA-N 424.542 1.834 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc(C#N)n2)CC1 1639562829 WTQMCAQXFGNHSG-UHFFFAOYSA-N 406.430 1.849 30 10 HDEE CC(C)(C)OC(=O)Nc1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1639821336 DGLLPUFUAHCCEB-KPZWWZAWSA-N 406.464 1.439 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNc3ccc(S(N)(=O)=O)cc3F)CCC2)cc1 1640134834 OMEGGVGIBSVKHL-UHFFFAOYSA-N 402.451 1.952 30 10 HDEE C#C[C@H]1CCCN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 1640187315 WFYYYUPIXUZRNB-SFHVURJKSA-N 417.531 1.172 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O)c1ccccc1 1640208690 TVOTUKCGIZBAMD-SONOPUAISA-N 419.503 1.842 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)CCC(=O)N(CCC#N)c1ccccc1 1640973691 GFXWOQBSHPBUNX-QGZVFWFLSA-N 418.494 1.715 30 10 HDEE C=C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 1641133128 QFUICCIVURMMPT-CYBMUJFWSA-N 406.426 1.769 30 10 HDEE CC1(C)CO[C@@H](c2cccc(F)c2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1641513877 AYQHRVIKVDHEDV-MRXNPFEDSA-N 400.410 1.728 30 10 HDEE C#CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1642410516 GTZLMRYMCNLMGJ-GOSISDBHSA-N 416.455 1.791 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C)cc(C(=O)OC(C)(C)C)c2)CC1 1643372237 BZRGLUOUQBQBBQ-UHFFFAOYSA-N 421.519 1.176 30 10 HDEE C[C@@]1(c2cccc(C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)c2)NC(=O)NC1=O 1643806791 BKWHRLVFFQGMMK-QFIPXVFZSA-N 421.432 1.714 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1 1644281769 KIPBRNUOFPLWAX-UHFFFAOYSA-N 409.939 1.764 30 10 HDEE Cc1ccc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)cc1S(=O)(=O)NCC#N 1645448330 BBLFQQCZPKTGFN-UHFFFAOYSA-N 401.370 1.802 30 10 HDEE CN(C)[S@](C)(=O)=NCC1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 1648583408 TZMPPPGHIKTOOA-WHLCRQNOSA-N 403.552 1.950 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(O)(c3ccnn3C)CC2)c1 1651248787 JNIXDOUQDUOUFA-UHFFFAOYSA-N 401.488 1.341 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654888768 GMHFWTOJBXLEDX-FTRWYGJKSA-N 402.520 1.484 30 10 HDEE C=C(C)CS(=O)(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1655946727 CADKMZBJBUQNFS-VXGBXAGGSA-N 414.446 1.746 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(-c3ccccc3)cc2)c(=O)n1CCO 1656828233 KJHYWGZGAHDQHP-UHFFFAOYSA-N 404.426 1.488 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)OC)c(Cl)c1 1661546208 ZWTLVRFTFWKEKR-LLVKDONJSA-N 422.912 1.882 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)Nc1cccc(CC#N)c1 1661887624 BDLDYFFFLBCXGW-UHFFFAOYSA-N 402.476 1.687 30 10 HDEE C#CCn1cc(CNS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)cn1 1664349670 ZOBWREVNTXOBMT-UHFFFAOYSA-N 400.460 1.012 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)CC)C1CCOCC1 1664580144 QOUOQVFSAVHRSJ-HNNXBMFYSA-N 416.521 1.164 30 10 HDEE C#CC1(NS(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CCCC1 1665163737 SCIQTEOCDLGUQO-UHFFFAOYSA-N 412.533 1.240 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(C(=O)Nc1ccn(CCC#N)n1)C2 1674715475 BWCUZVQONNVRPH-UHFFFAOYSA-N 402.480 1.637 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1)C1CCOCC1 1684035526 JECUDVVYEHPIQH-FQEVSTJZSA-N 410.518 1.331 30 10 HDEE C=CCN(CCOC)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1687572699 VZDTVDMNJDFSOW-HNNXBMFYSA-N 419.544 1.255 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1689988125 JQOTVORFPUFZRY-IRXDYDNUSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1690008341 FIWFDTVTUIQRRB-QGZVFWFLSA-N 424.415 1.418 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1690020095 YQKULZUTRQGGRP-IBGZPJMESA-N 412.582 1.882 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(N(C)C)Cc2ccccc2C1 1690104185 PAPRFLIZLQTNBJ-NRFANRHFSA-N 423.561 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(C(N)=O)CCOCC1 1690104830 KADALXYWFRSYIW-UHFFFAOYSA-N 417.535 1.299 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2CC[S@](=O)CC)CC1 1690139324 HQYHMBNZFHOTPP-GDLZYMKVSA-N 417.535 1.581 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)[C@H](C)CC(N)=O 1690632960 ZLHXOTWYZCXVFH-CYBMUJFWSA-N 406.512 1.082 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@](C)(C(N)=O)C1 1690661292 YVKANNOIJAVWJY-JTSKRJEESA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CC)C(C)C 1690662672 CGRHLICLFMFMTB-UHFFFAOYSA-N 405.524 1.886 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCO[C@H](c2ccccc2)C1 1690668913 NFVUGHHYUIJBMO-SFHVURJKSA-N 405.462 1.615 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccn2)CC1 1690742512 SSBFRLJGOLOBSA-INIZCTEOSA-N 413.551 1.870 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1690838365 HIKRCHKLUNJRRM-QVKFZJNVSA-N 410.478 1.025 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1695438928 VVWHAJNUSYABNB-HZPDHXFCSA-N 410.434 1.457 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1698317804 RCXBYDGKNRWKGH-IRXDYDNUSA-N 416.507 1.124 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccsc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1698486966 XIUCZRFDAVCFMN-WMLDXEAASA-N 409.512 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC1CC1 1705499121 LNRISXGMFHJFDM-ZDUSSCGKSA-N 407.565 1.917 30 10 HDEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705542886 PZEBNARVWKEKEI-XLIONFOSSA-N 402.520 1.439 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705560227 ISPJNPQTOFDJJE-BBWFWOEESA-N 424.567 1.675 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1705648625 UZUJCXHVYYAXNW-INIZCTEOSA-N 408.462 1.261 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705661482 CODSYUTYLXOSMC-DLBZAZTESA-N 405.568 1.891 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(N)=O)C1 1705693196 CTGYCGMMSROSNO-XHSDSOJGSA-N 404.515 1.099 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCS(=O)(=O)C1 1705883898 ABOVQDHLEAAQPZ-DLBZAZTESA-N 412.556 1.983 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1706076206 ZFNKXMKNSBXIOP-UPJWGTAASA-N 403.455 1.200 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1711324448 BLVLELAAJDDBKE-OAQYLSRUSA-N 424.505 1.606 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1712229038 XSQQLXXNMNNFJQ-KDURUIRLSA-N 424.461 1.849 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2Cc2nccc(C(F)F)n2)CCO1 1712884851 UKNKYHSROSCAPK-QWHCGFSZSA-N 405.409 1.677 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)C1CCCCC1 1722275753 GDJHTYHULJIRCI-DOXZYTNZSA-N 411.572 1.678 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@H]1CCS(=O)(=O)C1 1722342857 AGEWLQMCEYUXDT-LLVKDONJSA-N 412.313 1.540 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1722345635 IQYJNXRGBKTPQT-OAQYLSRUSA-N 416.547 1.862 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2Cl)n1Cc1nnn(C)n1 1722355486 JTNWMWQPICYLQQ-UHFFFAOYSA-N 407.265 1.805 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCO[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1722359255 REXRFKGZXUXEOR-IAGOWNOFSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1722397184 HGATXDDWCXLEDP-HXUWFJFHSA-N 410.566 1.951 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1722458905 WVAYZLAWBQTJOQ-NVXWUHKLSA-N 413.551 1.398 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)CC(N)=O 1722495416 WSOPWIJVPDGWGC-OBJOEFQTSA-N 416.320 1.611 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1722608809 MFKWYWPUJNOLHD-MRXNPFEDSA-N 421.571 1.968 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1722638853 PYHAUBPBPFLPOD-HOTGVXAUSA-N 416.551 1.986 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCS[C@@H](C)[C@H]1C 1722728433 WDTQJXBKTHQDIO-RDBSUJKOSA-N 413.569 1.160 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCn1cnnn1 1722872966 XYEIZIULESQSCG-ARFHVFGLSA-N 401.519 1.869 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2CCC2(O)CCOCC2)CCO1 1731186625 FLIVGRCXTVRCCV-QGZVFWFLSA-N 415.469 1.668 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1740595386 SFNWAVWMTNZFEM-CQSZACIVSA-N 423.564 1.552 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740627660 RSGXVCLOGBBAAH-CQSZACIVSA-N 418.510 1.775 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1ccc(C)n(C)c1=O 1740635074 SIRDNSGQYHQEIU-UHFFFAOYSA-N 415.453 1.802 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1740638674 NIWXOBRLRZIKSG-UHFFFAOYSA-N 412.457 1.047 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C[S@@](C)=O)cc1 1740641307 HBVLEEMWDMBVRJ-SSEXGKCCSA-N 423.542 1.400 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1740686663 VUFQCYFDRAONMA-UZLBHIALSA-N 424.567 1.207 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1740714961 APVXBMSAZKUKRD-QGZVFWFLSA-N 415.567 1.204 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1740750745 FMRVEUPFLMAJEL-DZVNLGKHSA-N 408.499 1.545 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCC(CC(N)=O)CC1 1740763024 XHRXUZPBYZPVOF-AOIWGVFYSA-N 403.527 1.855 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1740920609 SALLNPZNOCESAV-CQSZACIVSA-N 402.524 1.949 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC([C@@H]2CCCO2)CC1 1740951397 XMMRMYWKFONULW-INIZCTEOSA-N 404.515 1.114 30 10 HDEE Cc1nnc(CCCn2c(Cc3ccncc3)nnc2N2CCO[C@H](C#N)C2)s1 1742732312 JIGHPKKUTSGRAD-MRXNPFEDSA-N 410.507 1.785 30 10 HDEE CCc1nc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@](F)(C#N)C2)no1 1744475197 RXWIJKFAXKBHJE-AXHNFQJDSA-N 419.461 1.632 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1748747160 CUESUXKEFNNHHI-LJQANCHMSA-N 420.517 1.534 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(=O)NCC)c1)[C@H]1CCS(=O)(=O)C1 1748804578 IVFVUCDSJAYIFD-SFHVURJKSA-N 415.519 1.011 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCn1cncn1 1748831007 DCOFILMFWSAUMT-UHFFFAOYSA-N 421.461 1.335 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1748847784 XCZIBLPZYPBZQR-GOSISDBHSA-N 407.474 1.381 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1Cc1ccc(-n2cncn2)nc1 1748965701 UYESOXJRJUKNOX-UHFFFAOYSA-N 408.510 1.977 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC2(O)CCOCC2)CC1 1749009307 HPUVHCMAMDYWCI-UHFFFAOYSA-N 415.538 1.443 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCO[C@H](C)C1 1749026514 KXPCXXPSYTYDRB-MRXNPFEDSA-N 424.534 1.902 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1749059065 VDFZRQPRXJHIQB-JOCHJYFZSA-N 404.474 1.668 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCOCCCO)CC1 1749294214 SDLLAJYMYSIONN-UHFFFAOYSA-N 410.482 1.476 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1749650506 ZPRUBVYACBRDDI-PBHICJAKSA-N 418.542 1.502 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCc2ccc(O)cc2C1 1749676327 MKAAKNLLRKMALO-UHFFFAOYSA-N 404.474 1.834 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749762359 SLXVBJYHTUDEDC-UHFFFAOYSA-N 420.583 1.724 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCCCS(C)(=O)=O 1750449007 CUOPUGUHLUWOIH-KRWDZBQOSA-N 422.599 1.967 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](N1CCOCC1)C(F)(F)F 1760095344 MKESDQSFSKQZHQ-KBPBESRZSA-N 416.448 1.137 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1conc1COC)[C@@H]1CCS(=O)(=O)C1 1760183814 UEWKTNCVCYRUKY-GOEBONIOSA-N 421.523 1.601 30 10 HDEE C=C(C)COCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1760358822 YRBYVENVIJTVEW-IBGZPJMESA-N 413.522 1.721 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760430994 AOJPSINYZVRCIB-UHFFFAOYSA-N 424.571 1.341 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Br)cc2)nnc1N1CCOCC1 1760518839 JGQHHWQYLVVKAU-UHFFFAOYSA-N 406.284 1.846 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCC2CC2)C1 1760549645 JFHZYOGUSSJLBJ-GOSISDBHSA-N 413.526 1.447 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1760695122 AYUSFZKNZSBWPR-WBVHZDCISA-N 420.583 1.650 30 10 HDEE CC(C)(C)C(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1760714206 XYBVQHOONUPUFU-CQSZACIVSA-N 417.901 1.885 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1769984362 HZYKNNKEBUZDJA-KBPBESRZSA-N 403.439 1.514 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1F 1771493214 LFCNNLLYVBGIAE-BAEHRGANSA-N 411.441 1.661 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCC2=O)CCO1 1771536814 CGEREWJGHNZSSS-DLBZAZTESA-N 402.499 1.303 30 10 HDEE N#Cc1n[nH]c2c1CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1)CC2 1851412042 VOARWKVFEYDOTD-KRWDZBQOSA-N 419.894 1.673 30 10 HDEE Cc1ccc(NC(=O)[C@H]2CCCN2CCn2cc(C#N)c(O)nc2=O)c(Cl)c1 1853216540 HSRKOXDMZLKCPX-MRXNPFEDSA-N 401.854 1.886 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)Cc2ccc(F)cc2F)C1=O)[C@@H]1CCN(C)C1=O 1853827815 GCQIOMKYMBNJGV-ZWKOTPCHSA-N 405.445 1.744 30 10 HDEE COc1cccc(O[C@H](C)C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c1 1855028757 FEJRHAJLSAXJCK-SJORKVTESA-N 400.479 1.121 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)c3cncc4cccnc34)C(=O)C2)C1 1855045808 HLSZJNSMYQCVEY-FUHWJXTLSA-N 406.490 1.681 30 10 HDEE C[C@H](C(=O)N1C[C@H](CN(C)CCC#N)CC1=O)n1nc(-c2ccccc2)ccc1=O 1855713486 QLGZXZFSFZCFBD-SJORKVTESA-N 407.474 1.692 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1CCC#N 1856197896 ASPNJXYRAQJDCE-IRXDYDNUSA-N 418.519 1.060 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2C[C@H](CN3CC(Cn4cncn4)C3)CC2=O)c1 1856265820 GPRLUFNPKKNBIG-HNNXBMFYSA-N 412.881 1.618 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)C1(C)C 1856371893 DEWWZRHZOIUSKT-KRWDZBQOSA-N 423.510 1.614 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C(=O)C1 1856408529 RSMSVPDCWKDDQU-QGZVFWFLSA-N 405.520 1.745 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)CN(C[C@H]3CCS(=O)(=O)C3)c3ccccc32)cc1 1857215364 MDNKVHPIXUNYPY-MRXNPFEDSA-N 409.467 1.986 30 10 HDEE CC(C)n1cc(CN(C)[C@@H]2CCN(C[C@H]3CCC(=O)N(C(=O)CC#N)C3)C2)cn1 1857487563 AJFXPVKOTXHYDN-IEBWSBKVSA-N 400.527 1.649 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N[C@@H](C)C(=O)O)c(C(=O)OCC)c1C 1860761473 VNAFBYFVGTXHDX-VIFPVBQESA-N 412.420 1.104 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H](N)CC(=O)O)sc2c1 1865999749 WJIOEPWILSSWOF-LBPRGKRZSA-N 424.504 1.400 30 10 HDEE N#Cc1cccc(NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2Cc2ccccc2F)c1 1866913928 RJSVQYNBENQSFJ-PMACEKPBSA-N 410.449 1.778 30 10 HDEE COC(=O)COc1cn(CCO)c(CSc2nc(C)c(C)c(C)c2C#N)cc1=O 1870265336 MNJWVNWZQSQXER-UHFFFAOYSA-N 417.487 1.877 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1ccc(OC)cc1 1870962635 XUIWANOHURBCCR-UHFFFAOYSA-N 401.463 1.796 30 10 HDEE COc1cccc(C2=C(Nc3ccccc3C#N)C(=O)N(CCNC(C)=O)C2=O)c1 1873214391 IDEQIIYRNPKZAS-UHFFFAOYSA-N 404.426 1.895 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCC4(CC3)OCCO4)ncnc2n1CCOC 1873590580 YRWUYGMBIKWHPZ-UHFFFAOYSA-N 401.467 1.337 30 10 HDEE C=CCn1c(C(=O)NC[C@H](C)O)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873593206 JJDXKLSEZZXUBJ-INIZCTEOSA-N 421.505 1.450 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc4cccnc4n3)CC2)CC1 1889514196 OXOADZGDFQHGSQ-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE CN(C(=O)C1CCN(c2oc(-c3cccs3)nc2C#N)CC1)[C@@H]1COC[C@@H]1O 1889976950 YHSNSEHWOQADLD-CABCVRRESA-N 402.476 1.709 30 10 HDEE C=C(I)COc1cc(F)c(S(N)(=O)=O)cc1[N+](=O)[O-] 1894442669 LUXQMMCNZSYXQC-UHFFFAOYSA-N 402.141 1.709 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 1965778171 VYFMBHSNVWFRFF-KSSFIOAISA-N 401.529 1.872 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1c(Br)nnn1C 2010385843 XLHYJGLFKNVGAN-JTQLQIEISA-N 400.277 1.453 30 10 HDEE Cn1cc(C#N)c(NS(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)n1 2046022565 LAIHXVACJKSYCY-KRWDZBQOSA-N 405.411 1.058 30 10 HDEE N#CCCS(=O)(=O)N[C@@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2054406133 RUEOIORLOAVMFD-KRWDZBQOSA-N 407.492 1.780 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 2116274618 QBRJNDRSJCUGGC-YPMHNXCESA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C#N)s2)CCO1 2118167501 BGRORAXRSJUUJF-RYUDHWBXSA-N 401.510 1.970 30 10 HDEE C#CCn1ncc(NC[C@@H]2CNCCN2Cc2ccccc2)c(Br)c1=O 2140607254 ORKKTFLMSLVTHT-INIZCTEOSA-N 416.323 1.525 30 10 HDEE CN([C@]1(CNC(=O)OC(C)(C)C)CCOC1)S(=O)(=O)N1CCC(C#N)CC1 2174783755 GHCBJQPCJTWFQM-KRWDZBQOSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@]1(C)CNS(=O)(=O)N1CC[C@H](C#N)C1 2174784175 LDXUUJMBHMYEHF-IUODEOHRSA-N 408.471 1.701 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2180137182 IUGDTXMSRBUWAQ-IBGZPJMESA-N 400.541 1.966 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)NC[C@H](CC(=O)O)C(F)(F)F)C(F)(F)F 2180574554 LJOMFSWLDKJDJO-NVNXEXLPSA-N 406.201 1.755 30 10 HDEE CC(C)(C)OC(=O)N1CC(Nc2ncccc2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2217457744 GMLDRYUEJJPLOQ-UHFFFAOYSA-N 418.303 1.268 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243380115 UPPBXFWZDWSBNM-IIAWOOMASA-N 408.304 1.808 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247826255 QUFXHGMRZNSCIM-CHWSQXEVSA-N 420.319 1.600 30 10 HDEE Cc1nn(C)c(C(=O)NCCONC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247915772 JLIBVAHDXAVEBE-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE Cn1cc([C@@H](NC(=O)OC(C)(C)C)C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)nn1 2248404962 QFLYYORKVUVEKO-CQSZACIVSA-N 421.307 1.685 30 10 HDEE Cc1nc(NC(=O)[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248420586 XCBPMORZZMROGD-JSGCOSHPSA-N 418.303 1.936 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258183984 BHIWHGRBBOKKET-DOTOQJQBSA-N 408.476 1.431 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H](CO)C[C@H]3CO)c2Cl)OC1(C)C 2281933154 VPVJVLIINHZRCZ-MNOVXSKESA-N 401.721 1.516 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3CCO[C@@H]3C(N)=O)c2Cl)OC1(C)C 2281945007 RAEKXHPCKDACAJ-KOLCDFICSA-N 400.693 1.073 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H]1C1OCCO1 2281983038 XVMPLGQTGZZVIV-OAHLLOKOSA-N 403.284 1.972 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H]1CCN1C 2282301913 SKBNIBJEQLOUFY-CYBMUJFWSA-N 400.375 1.680 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCC2(O)CCC2)OC1(C)C 2282492610 PSTPALCVXWHBKH-UHFFFAOYSA-N 401.359 1.772 30 10 HDEE CCC[C@]1(O)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282496208 XCOVZTRJJJYBJD-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE C[C@@H](C(N)=O)N(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282502901 RDPDDPSQENQCRQ-JTQLQIEISA-N 402.709 1.134 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@H]3CO)c(Cl)c2)OC1(C)C 2282507744 LWCWPJZVQXLOQZ-SMDDNHRTSA-N 401.721 1.688 30 10 HDEE Cc1nc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)nn1C 2282825276 IOKZRMOYZAELDJ-UHFFFAOYSA-N 418.737 1.938 30 10 HDEE CC[C@H](O)CN(CC)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839461 DQJKHTWAVHVDID-LBPRGKRZSA-N 404.363 1.365 30 10 HDEE C[C@@H]1CNC[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282843460 NUEJECNKXWUZPB-WDEREUQCSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(CN)CCC2)OC1(C)C 2282843600 PZYTWNUVENMWKE-UHFFFAOYSA-N 400.375 1.596 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H]3C(N)=O)c2)OC1(C)C 2282852617 RLXFUXOQLYYOKE-GFCCVEGCSA-N 400.331 1.076 30 10 HDEE CC1(C)OB(c2cccc(CS(=O)(=O)N[C@H]3CCCC34OCCO4)c2)OC1(C)C 2282877208 OCAMLJFJVGNXMC-KRWDZBQOSA-N 423.340 1.701 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284403597 RLKMYUFTNSYXOL-LLVKDONJSA-N 403.331 1.839 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H]1C(=O)O 2284407373 KXWXZYSVOFYEDV-NEPJUHHUSA-N 401.315 1.435 30 10 HDEE CCC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284412625 DBDRRZAVSWLTHK-NSHDSACASA-N 403.331 1.887 30 10 HDEE C[C@@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284416411 XSCABJCKMUYKKG-PWSUYJOCSA-N 401.315 1.531 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCN1 2286862713 RJTMROYSMOUETR-NEPJUHHUSA-N 401.363 1.002 30 10 HDEE C=CC[C@H](O)[C@@H]1CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2314235838 WBJLEWAWTHBOJD-TXPKVOOTSA-N 410.467 1.352 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2316810117 WLMLKGXZMMABRK-INIZCTEOSA-N 404.488 1.507 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2)CC1=O 2327849021 QOHPORYPHKGITF-AWEZNQCLSA-N 400.508 1.852 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@H]4CS(=O)(=O)[C@H]4C3)c2Cl)OC1(C)C 2361658442 JKKHPIBLWDGPSS-ONGXEEELSA-N 417.745 1.570 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365212785 RIXADPTXRWRWFV-ZRGWGRIASA-N 402.557 1.538 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]([C@H](N)C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOC1 2367798155 PSPLULZDKGFMFV-HRCADAONSA-N 400.541 1.462 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](COC(C)(C)C)NC(=O)OC(C)(C)C 2367801894 WRJDNYUWBDMEAQ-LSDHHAIUSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C1(OC)CCN(C(=O)OC(C)(C)C)CC1 2367805333 ALMDYPCQICZJHC-OAHLLOKOSA-N 400.541 1.571 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCCCN1C(=O)OC(C)(C)C 2367809954 RZTOCLMOFQTVMH-XHSDSOJGSA-N 400.541 1.306 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@]2(O)CCCSC2)OC1(C)C 2369683116 VWZZGGWFTKHLIR-INIZCTEOSA-N 419.399 1.584 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)c1cc(F)cc(C#N)c1 2382020830 QSURZYBQWLAVQQ-UHFFFAOYSA-N 406.180 1.836 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccccc3)CC2)cc1 18944357 IIVBSTPQURHPCJ-UHFFFAOYSA-N 400.529 1.939 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)CC1 52305221 BTSIOSXDQSMTRR-UHFFFAOYSA-N 413.349 1.572 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ccc(OC)c(OC)c2OC)CC1 55078589 MXFGMIZHNGYMKJ-UHFFFAOYSA-N 405.495 1.091 30 10 HDEE COc1cc(C[C@H](CO)CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc(OC)c1 443357955 FSCJZXUGPAKZDH-AWEZNQCLSA-N 408.451 1.844 30 10 HDEE COc1cc(N2CCN(CC(=O)Nc3c(C#N)cnn3-c3ccccc3)CC2)ncn1 461352303 RZKQBYUSGIUZLZ-UHFFFAOYSA-N 418.461 1.303 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 465194645 PXWSVHCCWWJPRG-OIISXLGYSA-N 405.458 1.960 30 10 HDEE C[C@H](C(=O)N1CCC(Oc2ccc(C#N)cc2)CC1)N1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1 469065449 UWDJRWKBLHMQBE-NVAYWJMMSA-N 423.469 1.479 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCC1 477525354 MWHAWXYBQPSMLE-OAHLLOKOSA-N 415.512 1.592 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(F)c1 481020482 HMCTVZCFRQZDJX-LJQANCHMSA-N 403.479 1.536 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1-c1ccc(F)cc1 497562314 YMESFIQBNNLYCG-UHFFFAOYSA-N 414.487 1.524 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2cnc3ccc(C#N)cn23)CC1 508562823 HBXBTPHBDZRDNU-UHFFFAOYSA-N 416.551 1.833 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](CNS(C)(=O)=O)C1 533356816 FXUIJERDHRLQQN-OLZOCXBDSA-N 410.565 1.697 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 549273955 JEDZSXVOWCAYIM-HNAYVOBHSA-N 410.540 1.531 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)cc1 550137501 DTOYCDJXVWXXID-UHFFFAOYSA-N 412.396 1.551 30 10 HDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)c1 603798192 JRNUXVYEDIVZFZ-GOSISDBHSA-N 423.538 1.487 30 10 HDEE N#Cc1cc(N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)nc2ccccc12 609891767 LZNOZOXUGOWNEU-UHFFFAOYSA-N 411.443 1.309 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(N2CCOC(C)(C)C2)cc1OCC 682063194 POLREUOTLPCQMT-UHFFFAOYSA-N 405.495 1.958 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)cc1C 730140407 GEUDOCSOBSQUNB-INIZCTEOSA-N 419.551 1.049 30 10 HDEE N#C[C@H]1CN([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)CCN1C1CC1 732668495 GVJSPQYRBZUBNT-JKSUJKDBSA-N 403.280 1.753 30 10 HDEE COc1cc(OC)cc([C@H](NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c2nccn2C)c1 732699399 AWTQQFJOKJDHTN-PXNSSMCTSA-N 424.505 1.908 30 10 HDEE COc1ccc([C@@H](CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)N2CCOCC2)cc1 732701067 OXNBZKWDCIOCRA-PZJWPPBQSA-N 413.522 1.450 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1ccc([S@@](=O)C(F)(F)F)cc1 750625349 YOZXWGSYNYOEMS-JLRCLJKCSA-N 416.381 1.962 30 10 HDEE C[C@H](C(=O)NCCNc1ncccc1C#N)c1ccc(S(=O)(=O)N(C)C)cc1 752513553 FVVBUBIWIXAHHK-AWEZNQCLSA-N 401.492 1.535 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(OCCOC)c2)c1=O 758049597 IHGHXZQKMYVIAR-UHFFFAOYSA-N 422.506 1.440 30 10 HDEE CN1CCN(S(=O)(=O)c2cccnc2NN=Cc2nc(C(C)(C)C)no2)CC1 758121619 BRGFXIGLMSWLDS-UHFFFAOYSA-N 407.500 1.144 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C 763436129 GYAHOZBJOXCVPL-UHFFFAOYSA-N 404.495 1.351 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncc3ccccc23)c(=O)n1C1CC1 772909728 JYPJEVBZQXIKIP-UHFFFAOYSA-N 404.495 1.822 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@@H]1CCCO1 776226879 HPQLYYCNLHABNI-MSOLQXFVSA-N 417.506 1.720 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 779570280 NWXQOVWDNFFMIF-HJPHCXOUSA-N 421.498 1.458 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CC[C@H]2CCOC2)cn1 784123196 BNRNAGRUFUBJJW-BBRMVZONSA-N 405.524 1.930 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)n1 788370295 QIYLHUPMUSGVOQ-QFIPXVFZSA-N 420.473 1.261 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(Cc3ccsc3)CC2)n1 789320776 GKPBCYSMSLYJQH-UHFFFAOYSA-N 415.563 1.371 30 10 HDEE N#Cc1cccc(N2CCN(CN3C(=O)N[C@]4(C[C@H]5C[C@H]4[C@@H]4CCC[C@@H]54)C3=O)CC2)n1 799138447 BKNULKNFPZVLLC-XEYMTWODSA-N 420.517 1.779 30 10 HDEE C=CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 800788326 ZOBIKEVDGXHTGY-UHOSZYNNSA-N 402.543 1.347 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC(O)(c3ccc(Cl)cc3)C2)cc1 802666854 CQGOQCKOLKQWDD-UHFFFAOYSA-N 419.890 1.876 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C 804458165 BOQVIKAZRNIUCS-MAUKXSAKSA-N 402.520 1.455 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NC3CC3)C(=O)N2Cc2cnn(C)n2)cn1 807941416 NLAZVPAAKIBLRH-CQSZACIVSA-N 415.479 1.019 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@H](C)OC(=O)Cn1cnc2c(cnn2C)c1=O 928713671 XFVLMFPUUUHODP-ZDUSSCGKSA-N 415.475 1.338 30 10 HDEE Cc1c(C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)cnn1CCC#N 1124621074 BWLSATUFEDGRGC-IBGZPJMESA-N 409.446 1.372 30 10 HDEE C#CCN(CC(=O)NCc1cccc(OCC(=O)NCC)c1)C(=O)OC(C)(C)C 1137178389 DSPGAOPCNNTJPP-UHFFFAOYSA-N 403.479 1.688 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)s1 1138880642 LKPCHSLUNVBZEX-GUYCJALGSA-N 400.522 1.161 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CCOC)Cc2c(C)nn(C)c2C)cc1 1141836900 XFQRUAUCJDENFU-UHFFFAOYSA-N 418.519 1.237 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1 1154157954 JZDFANQQMJIYKA-KPOHSRMJSA-N 408.524 1.359 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3sccc3CC#N)CC2=O)C1 1158433437 NJPBHGODDZQPIO-ZDUSSCGKSA-N 404.492 1.764 30 10 HDEE COC(=O)[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)CC1CC1 1165316705 ZMFYFMOEYBYJRO-CQSZACIVSA-N 407.492 1.211 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cc3ccc(S(=O)(=O)CCO)cc3)CC2)cc1 1168716150 FYSDHAPOOAZGGR-UHFFFAOYSA-N 413.499 1.216 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)N(CCC#N)c2cccc(C)c2C)C[C@H]1C(=O)OC 1176903303 WXGJOBXAJVLZHA-IAGOWNOFSA-N 401.463 1.444 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br 1191583494 YMRSOWCLKNWJMJ-UFBFGSQYSA-N 402.270 1.900 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N=[S@@](C)(=O)N(C)C)cc2)nn1 1219624958 ZFMSGBCZHBPEGO-MUUNZHRXSA-N 405.484 1.500 30 10 HDEE C=CCOc1ccccc1CNC(=O)NCC1(N2CCOCC2)CCN(C)CC1 1221986557 IXHPWGRFKHRFNV-UHFFFAOYSA-N 402.539 1.847 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1ccc(CS(=O)(=O)N(C)C)cc1 1248606858 VORDIBVDYGMBFZ-UHFFFAOYSA-N 423.535 1.565 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C)C[C@H](C(=O)OC)C1)c1ccc(Br)cc1 1252459150 PGOCLBGGTIGDLO-HOCLYGCPSA-N 408.296 1.870 30 10 HDEE CC[C@]1(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)C1 1253392073 AXTJELHXUORBLC-APHAIJBRSA-N 406.483 1.666 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](C)N1CCOCC1 1286290629 UFKRXEMGRDDCKO-HUUCEWRRSA-N 400.483 1.184 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCCc1cnn(C)n1 1286403259 LBWUOJGFVTWFFL-UHFFFAOYSA-N 419.489 1.796 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCN1CCC 1286409024 HSUNYLLDYFSKSJ-RTBURBONSA-N 417.579 1.518 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)c1ccccc1 1286413842 OFVFZNFBOXJNIV-SFHVURJKSA-N 412.515 1.719 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1286719474 OKLXXQWSRJMWMY-QGZVFWFLSA-N 414.890 1.909 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286819730 UFZLOGQBRSOUCL-ZBFHGGJFSA-N 407.540 1.109 30 10 HDEE CC(C)(C)c1cc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)on1 1287013749 DHEOAJPTAGMTLL-HNNXBMFYSA-N 413.482 1.463 30 10 HDEE C[C@H](CC(N)=O)c1ccc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc1 1289314655 WGCYMCMWDAHHKU-GFCCVEGCSA-N 400.460 1.343 30 10 HDEE Cc1cc(C)cc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cnnn2C)c1 1289342778 CDKSUYJBQYJQKT-SFHVURJKSA-N 408.466 1.380 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](CN4CCOCC4)C3)CC2=O)cc1Cl 1294090418 DUGFQUBDQYGGGO-RDJZCZTQSA-N 416.909 1.745 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCN1CCOC[C@@H]1C 1300787218 KAXJATQRWRZQOI-WAOWUJCRSA-N 405.543 1.715 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1301559256 AAGJUNOWQHHKLU-SFHVURJKSA-N 409.494 1.799 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)COCCO2)C1 1301566979 DNURNROJAPRJJR-RYLXDESZSA-N 422.526 1.589 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C1 1302167057 OQIMRIPQGLVBFX-IBGZPJMESA-N 407.478 1.840 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC(F)(F)OC(F)(F)C1 1303819262 VPGYJCIQNLOOFM-UHFFFAOYSA-N 409.361 1.550 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)c3ccc4c(C#N)c[nH]c4c3)CC2=O)C1 1304621349 FLZLGSHCYSWZHO-HNNXBMFYSA-N 423.473 1.990 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)cn1 1309664075 BSDLIIFKBRFQAX-UHFFFAOYSA-N 401.366 1.800 30 10 HDEE C=CCN(C(=O)Nc1ccc(OCCN(C)C)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1310889984 DOYGJAGHHWMUCV-INIZCTEOSA-N 411.524 1.843 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)C1 1311489664 DRDVCLUIYBXJEC-KRWDZBQOSA-N 402.495 1.059 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C(=O)NCc2ccc(C#N)cn2)C1 1312810838 QHABSSFLSDRJLE-KRWDZBQOSA-N 403.483 1.857 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3(c4ccccc4)CCC3)n2CCOCCCO)CCO1 1316535082 DDXQKODTPSEKIF-LJQANCHMSA-N 411.506 1.876 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(ccn2CC(=O)OCC)c1)[C@H]1CCS(=O)(=O)C1 1323415187 CUHDPRXPCXBYOY-KRWDZBQOSA-N 417.487 1.859 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1329535459 ZPNXDROJRVCUCR-ORAYPTAESA-N 422.489 1.861 30 10 HDEE Cc1cnc2nc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCN4C)c3)nn2c1 1354741285 PUTXDTXXLXULNV-HAHDFKILSA-N 413.463 1.498 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1355540179 GXUDYOWPRDPXTC-HNNXBMFYSA-N 409.483 1.708 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCOC[C@H]1OC 1358982772 KAFALRFEZYHMHG-WIYYLYMNSA-N 424.501 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1C[C@H]1CC(=O)N(CCOC)C1 1358991269 UAJDVGCYAAAKDO-SFHVURJKSA-N 406.490 1.298 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CC(C)(C)CN(C)C)CC1 1359042979 BQVJYZKDBNDHPR-UHFFFAOYSA-N 423.565 1.894 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)NC)c1 1359069380 KIAKVFKMQOPOQT-WZONZLPQSA-N 420.517 1.824 30 10 HDEE C=CCn1c(COc2ccccc2OCC)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1359289687 COWFVGBUQQPKNE-INIZCTEOSA-N 412.494 1.998 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nnc(C)s2)C1 1359320400 QAVDDRIJPSXOGY-KBPBESRZSA-N 403.512 1.413 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)[C@H](C)C1 1359331166 PDDNHFIUGWIQRT-MRXNPFEDSA-N 422.555 1.031 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1360483235 UYTIUJJILKYGQA-NVXWUHKLSA-N 418.523 1.846 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1438148678 QNDNNDXGYNYDNB-HZPDHXFCSA-N 420.487 1.168 30 10 HDEE COc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2F)cc1 1450170899 VWHUJHILGVIKSU-HNNXBMFYSA-N 423.422 1.355 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)NCc2cncc(C#N)c2)ccc1OC 1456021038 UNHILBXWSBIMCL-UHFFFAOYSA-N 402.476 1.922 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(F)(F)c3ccccc3C#N)CC2)cn1 1465346886 JJDVDZOATYQIPO-UHFFFAOYSA-N 423.445 1.353 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)Cn3c(cc4ccccc43)C2=O)cc1 1468165729 UJWYXXVPVVSXEA-UHFFFAOYSA-N 401.422 1.952 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cnc(C(F)(F)F)nc2)c1 1470069890 BRBOSXGXQYZPRA-UHFFFAOYSA-N 400.382 1.890 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1470238229 OGJWVNSRFXRBEM-BMFZPTHFSA-N 408.499 1.239 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCN3C[C@H]4CCCCN4C3=O)CC2)c(F)c1 1470893908 DYBNPAZFVCYAGC-QGZVFWFLSA-N 414.485 1.819 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1Cl)C(=O)OCC 1471583345 BNSNLVHPDZBTOJ-GJZGRUSLSA-N 409.870 1.328 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@H]2CCc3ccccc3NC2=O)C1 1478402839 FYZUUBYCXVHWML-XIRDDKMYSA-N 413.478 1.998 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)C1 1479313058 LPQCOJVKWHRTPO-ZDUSSCGKSA-N 416.473 1.876 30 10 HDEE CCOCc1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1503002159 CNDIGGHXPWDBJZ-ULQDDVLXSA-N 418.521 1.899 30 10 HDEE CN(C)C1(Cn2c(Cc3cccnc3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1503389456 DBTKHFWMTULXQO-FQEVSTJZSA-N 413.501 1.817 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NC1CCCCC1 1507546975 IVIWYNGIADXFPP-BXWFABGCSA-N 403.527 1.909 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507592531 SGRCYWZQLQPGTK-IAGOWNOFSA-N 406.494 1.572 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1507633632 HUCYZOKQQLQSRL-HNNXBMFYSA-N 402.476 1.244 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1C[C@]1(C)CN(C)C1=O 1507656261 UMYBQKXHULADLV-QHCPKHFHSA-N 421.501 1.807 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1507675416 DEXCYQCKWPJMOG-RAUXBKROSA-N 421.501 1.085 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(OC)cc1 1507690898 YTSLKHAQOVTHNP-INIZCTEOSA-N 418.519 1.727 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1507754265 MLBBJRAVFSTHDP-GJZGRUSLSA-N 420.539 1.311 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C 1507763535 CPHIJFPZYORFSW-ORAYPTAESA-N 420.539 1.788 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1507772956 OGCDJOFCLUNYNC-QFBILLFUSA-N 405.568 1.657 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC[C@H]1C 1507773105 ZESDXBWVIADENA-MDPIYQRISA-N 417.554 1.715 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)NCC)CC1 1507931149 VFIJABFGVMORLX-UHFFFAOYSA-N 400.531 1.293 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1512715574 PGZBNCMNJXKTIL-PJSUUKDQSA-N 416.482 1.532 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1519162972 IPHOERPSNWMWRG-OXQOHEQNSA-N 413.482 1.440 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)C[C@]1(C)CCS(=O)(=O)N1 1533005812 NQZFKSCALMQTBH-AWEZNQCLSA-N 403.254 1.707 30 10 HDEE C=CC[C@@H]1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1533762073 GGSFXTNDJMBYSC-MRXNPFEDSA-N 423.510 1.717 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1537432208 AOUPJWPFXOXFGX-UONOGXRCSA-N 410.496 1.931 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N(CC#C)[C@H]1CCS(=O)(=O)C1 1539097485 OKLCMVJBTWQTCW-SFHVURJKSA-N 412.515 1.994 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2Cc2conc2COC)CC1 1539467317 RGUZDYLYTQAEII-UHFFFAOYSA-N 414.510 1.724 30 10 HDEE Cn1cc(N2CCN(C(=O)Cc3ccc(Br)cc3C#N)CC2=O)cn1 1539779904 AYDFXSBSOJQLOQ-UHFFFAOYSA-N 402.252 1.472 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1540034260 ZAMUFFQSDIACOA-LLGFUMIMSA-N 419.526 1.596 30 10 HDEE C=CCN(c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCS(=O)(=O)C1)C1CC1 1540093925 DIOMGFOCYWZCDL-CQSZACIVSA-N 409.556 1.786 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1)C1CC1 1540095632 UFLBUPGGDZOQIX-CQSZACIVSA-N 405.524 1.584 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(C(=O)NC)cc2)s1 1540571226 IUMNGCLSJLECTD-UHFFFAOYSA-N 421.544 1.773 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2csc(C)n2)CC1 1540872264 IKXMEPNQLAZSKC-UHFFFAOYSA-N 417.583 1.866 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCC(=O)NC)C1 1540888732 XCUNXZGRXUMEIZ-INIZCTEOSA-N 413.478 1.634 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCC(C)(C)O)C1 1540889030 CQIGUPHLCGVQSH-AWEZNQCLSA-N 403.483 1.948 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540902158 BUERAWLQTWBJGX-MSOLQXFVSA-N 424.567 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540907038 JYGJKYYXLATLRB-KRWDZBQOSA-N 421.567 1.423 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1541803107 CNYHHTNNGLBCRI-CVEARBPZSA-N 418.523 1.499 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCCC2)cc1C 1542430688 CUSFQSYAHDKDJS-LJQANCHMSA-N 423.521 1.972 30 10 HDEE CCOCc1nnc(N2CCC[C@H](OCC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1548153798 ISGXGVPRJFWPCA-IJYGLTAASA-N 418.498 1.346 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(Cl)nc2)C1 1555985249 LMKJGMGTNWFNBR-DYVFJYSZSA-N 424.889 1.719 30 10 HDEE C#CCN(CC(=O)Nc1cccc2c1CCN2S(C)(=O)=O)C(=O)OC(C)(C)C 1556137650 ZAZMKPGNKFVPRF-UHFFFAOYSA-N 407.492 1.818 30 10 HDEE CCc1c(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)nnn1Cc1ccc(F)cc1 1556901739 GWAOVEWTEPHRJW-ZZEZOPTASA-N 412.425 1.883 30 10 HDEE N#C[C@H](CCc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1558671098 GPKHLZVUXHOTJB-HMFCVHIJSA-N 403.504 1.086 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(Oc3ncc(C)cn3)CC2)c1 1561700250 PJOGSMFZYVBWCT-UHFFFAOYSA-N 416.503 1.933 30 10 HDEE CC(C)C[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1564960637 YHGLUWUWGMWDNH-DOXZYTNZSA-N 413.540 1.570 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)Cc2ccc(S(=O)(=O)NCC=C)s2)n1 1568526265 CNWKGWOILQJPGL-UHFFFAOYSA-N 406.533 1.633 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)ccc1OC 1583662200 WUMQWNIIWOJDBD-MRXNPFEDSA-N 406.438 1.996 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CN(C(=O)Cn2cc(C#N)c(O)nc2=O)Cc2ccccc21 1584313233 SUWLACZXQIROIS-INIZCTEOSA-N 410.430 1.288 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(c2ccccc2OC)CC1)c1cc[nH]n1 1584348554 YOVQASGHBITPHP-UHFFFAOYSA-N 400.435 1.550 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)cn1 1584532502 PPFNWRWXZKFIHN-LJQANCHMSA-N 410.499 1.879 30 10 HDEE Cc1nsc(N(C)C(=O)CCc2c(C)nc(N3CCOCC3)nc2O)c1C#N 1584664930 DVHWCRVBPJKGSQ-UHFFFAOYSA-N 402.480 1.559 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2nn(C)c(C)c2C#N)ccc1OC 1584808050 YMGDJGWBRPDQFY-UHFFFAOYSA-N 405.480 1.892 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](C)OCCC=C)CC1 1585675255 MMLPVSHUBDESKN-MLYQTUFZSA-N 400.519 1.844 30 10 HDEE COC[C@@]1(C(=O)OC)CCCCN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1587105881 QOPDSVIACDQWAV-HXUWFJFHSA-N 404.467 1.642 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccc(F)cc1)N(C)C 1587909367 JODVXPZOVQMQNV-YOEHRIQHSA-N 422.530 1.400 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588055815 ZVLBFROOUIUEFK-WMZOPIPTSA-N 407.584 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@H]1COCCO1 1588595263 QQWVUPWHCOIDHK-SFHVURJKSA-N 415.450 1.745 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)OCC 1588629095 XHUBLGKNTQKKGV-UHFFFAOYSA-N 403.483 1.907 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CCOC)C(=O)C1 1589569236 OFQJACOOJWVQND-QFBILLFUSA-N 407.515 1.091 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1595562336 VMLQUXJDFUIBGF-SUMWQHHRSA-N 416.551 1.940 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCN2CCSCC2)C1 1595714180 LHQVGNSRTDUABW-INIZCTEOSA-N 401.540 1.565 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC(=O)NCc2ccco2)C1 1595739081 WQRFAMPNTAXMMP-LJQANCHMSA-N 422.489 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1C[C@@H](OC)C(C)(C)C1 1595797721 HYACVLJJKKNKLY-JKSUJKDBSA-N 412.556 1.982 30 10 HDEE C#CCN(CC(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)C(=O)OC(C)(C)C 1596742031 ULGYSCFCJZCOBX-HNNXBMFYSA-N 401.529 1.177 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1CCC(=O)N1 1596821856 FWDKKSWEJUOIDC-DOTOQJQBSA-N 423.525 1.327 30 10 HDEE CC(C)CNC(=O)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1598410539 QLTQPVFGCWBTJK-UHFFFAOYSA-N 409.483 1.747 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1610417773 XADFTJQIRZXSPS-NHCUHLMSSA-N 419.526 1.864 30 10 HDEE C[C@@H]1CN(C(=O)COc2cccc(Br)c2C#N)CCS(=O)(=O)C1 1616233004 BUXCLRNGUATTBR-LLVKDONJSA-N 401.282 1.593 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(C(=O)NCCNc3ccc(C#N)cn3)=NO2)C1 1624216887 SNPXOARKXPHNKF-UHFFFAOYSA-N 400.439 1.247 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(=O)OCC 1624303650 LBKQLRSWUMQUGY-CYBMUJFWSA-N 419.297 1.724 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cnn(-c2ccc(Cl)nn2)c1C(F)(F)F 1624564797 AVIRQPYKPFIQJZ-UHFFFAOYSA-N 416.747 1.863 30 10 HDEE CC(=O)[C@H](Cc1ccccc1)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1624669939 CXHXRIBITFZZHC-SFHVURJKSA-N 413.499 1.822 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H](CO)NC(=O)OCc1ccccc1 1627263943 DNCNZYNHOWNTQZ-IBGZPJMESA-N 402.447 1.964 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)c1 1627518757 LBZGPTZDOLZOHB-UHFFFAOYSA-N 404.492 1.593 30 10 HDEE CN(C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1629068591 IWGLRIXWXMGQEG-KRWDZBQOSA-N 416.526 1.447 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1629269897 OMYGUNJBSWKLQL-HDICACEKSA-N 419.437 1.589 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(=O)c3ccccc3[nH]2)s1 1632732443 MFFWNMJPNYYWKU-UHFFFAOYSA-N 417.512 1.913 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 1634952904 FCTHZMRWPXXHIT-UHFFFAOYSA-N 402.476 1.263 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)[C@H]3CS(=O)(=O)C[C@@H]3C(F)(F)F)cn2)cc1 1636093192 HKDHKSYCHLGSGE-GJZGRUSLSA-N 412.393 1.965 30 10 HDEE C=CCn1cc(CNC(=O)N(C)[C@H]2CCCC[C@@H]2N(C)C2CCN(C)CC2)nn1 1636330588 IRFDXDKHSKAQQE-PMACEKPBSA-N 403.575 1.943 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)c(C(=O)OC)c(C)n2)cc1 1637176283 WCNXQVPKFICYDO-UHFFFAOYSA-N 401.444 1.649 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC#C[C@H]1CCCCO1 1637186759 YECKKAKZCOKEEV-QGZVFWFLSA-N 417.531 1.974 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)CN2CC[C@H](c3ccccc3)NC2=O)CC1 1637909744 WBBMYNONHHNGMI-LJQANCHMSA-N 404.474 1.758 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)s1 1638123852 NXTZFOLHTCVLMF-MRXNPFEDSA-N 411.480 1.237 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn12 1638175127 SEHULCXEAPPFHM-GHMZBOCLSA-N 410.862 1.631 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1640109146 VEIHYNIXJWOMBS-IAGOWNOFSA-N 410.467 1.563 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)/C=C\C(=O)c1ccc(C)cc1)CCS2(=O)=O 1640208862 XJKXDDCVXXYJSL-KGALIFSHSA-N 419.499 1.749 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 1640298454 IWBUJUUHBFHJEA-MDZDMXLPSA-N 407.488 1.703 30 10 HDEE N#Cc1cn(CCNC(=O)C2(c3cccc(Cl)c3)CCOCC2)c(=O)nc1O 1641033393 AILPTMBKOGMSOK-UHFFFAOYSA-N 402.838 1.339 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](O)[C@@](O)(c3ccccc3)C(F)(F)F)C2)nc1 1641702767 ZCZKESAKXKQSMM-SUMDDJOVSA-N 421.375 1.744 30 10 HDEE C#C[C@@H](NC(=O)c1cn(CCOc2ccc(C=O)cc2Cl)nn1)C1CCOCC1 1641858734 YOPBXSBEFKOKRC-QGZVFWFLSA-N 416.865 1.981 30 10 HDEE N#Cc1ccc(Oc2cccc(C(=O)N3CCS(=O)(=O)C[C@H]3CCO)c2)cc1 1645037063 DRMGMRAHGBLQDG-QGZVFWFLSA-N 400.456 1.972 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 1645391259 OXAFYGMTHAGJME-UHFFFAOYSA-N 409.471 1.634 30 10 HDEE C=CCC1(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)CCOCC1 1646090194 CMMFMCBUNCJNBK-UHFFFAOYSA-N 421.563 1.482 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N[C@H]3CCCC[C@H]3C)c2)C1 1646382066 RMXVPAHYUIPHOQ-ZBFHGGJFSA-N 406.504 1.372 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OC)Cc2ccccc2)cc1 1648385196 MGDOAQBCALXXPW-GOSISDBHSA-N 414.483 1.502 30 10 HDEE CNCCCc1[nH]nc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)OC(C)(C)C)c1C#N 1648430229 KKGDLOYMXASGLC-AWEZNQCLSA-N 420.514 1.788 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccccc2C#N)CCO1 1655212229 RIKRYSVEEOPGJL-OAQYLSRUSA-N 403.479 1.946 30 10 HDEE C#CCC1(O)CCN(CC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)CC1 1659929471 QYOXQHJCJKVBNN-UHFFFAOYSA-N 421.519 1.382 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNS(=O)(=O)CC1(C#N)CCCCC1)C1CCCC1 1662019785 AJTMXQBCOVLIML-MRXNPFEDSA-N 420.601 1.335 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)c1 1669726701 OADOTVJDOKRWSX-UHFFFAOYSA-N 408.501 1.917 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1)C(C)C 1675965090 YFXAHPZPTBRYPN-ROUUACIJSA-N 412.542 1.701 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1689887139 PYAOIGLJOKINMY-ZWKOTPCHSA-N 400.527 1.191 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1OC 1689946675 UKBDDHHXGRNEQG-LBPRGKRZSA-N 411.915 1.668 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC1([S@@](C)=O)CC1 1690104972 OOJNZTZGXITUSJ-HHHXNRCGSA-N 407.565 1.631 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCOC3)n2CC2(O)CC2)n1 1690109383 PMALXAHPUWVNSJ-KRWDZBQOSA-N 414.510 1.180 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCOC[C@@H]2C1 1690156372 WNNVEZBQZOPJTP-KRWDZBQOSA-N 420.583 1.084 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690299466 SCLNLNHJHUZTBZ-ZCNNSNEGSA-N 418.586 1.794 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C)C(C)(C)C1 1690730170 ZGSRTPLIWDSIMX-MRXNPFEDSA-N 423.583 1.874 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1690731313 HVSODFFMERXJAM-HNNXBMFYSA-N 407.540 1.823 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1nnc2n1CCCCC2 1692662504 AZTOTJDCKBJLHO-OAHLLOKOSA-N 411.514 1.619 30 10 HDEE CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1696132944 BQKSJZBWYSFSRX-IAGOWNOFSA-N 413.478 1.966 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1705478800 GEVSFGLFWQAFLT-NQIIRXRSSA-N 405.543 1.499 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccc(C)cc2)n1CCS(C)(=O)=O 1705586955 CMZLICRYYDHBBM-UHFFFAOYSA-N 402.545 1.996 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1OC 1705596780 NOJZYDIIJRULSN-KRWDZBQOSA-N 409.494 1.045 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(C)(C)O)cc1 1705612386 GGONPCCBSIWFNO-QGZVFWFLSA-N 416.547 1.915 30 10 HDEE C=C(Cn1c([C@H](C)OCCOC)nnc1N1CCS(=O)(=O)CC1)c1ccccc1 1705742417 UNUDPCKWSOOGDG-KRWDZBQOSA-N 420.535 1.950 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1705895323 BQPFREWRRHDBPD-HNNXBMFYSA-N 423.926 1.524 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1705902889 LQJHQHZPSNJQPI-ICSRJNTNSA-N 424.549 1.795 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCS(=O)(=O)CC1 1705903253 OTTQRRIHUNEKQW-UHFFFAOYSA-N 403.508 1.045 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCSC2)CCOC1 1706660983 QTEDMVIBFBHKSW-AYOQOUSVSA-N 409.556 1.925 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1706913405 KVXDWJYXOFQHID-CRAIPNDOSA-N 419.457 1.685 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC(C(N)=O)CC2)COCCO1 1706960241 VIAGENCDMOJICA-OAQYLSRUSA-N 410.478 1.324 30 10 HDEE CN(C)C1(Cn2c(Cc3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1711003635 AKBMYXYHDFGLFU-FQEVSTJZSA-N 413.501 1.817 30 10 HDEE CN1CC[C@](O)(Cn2c(N3CCc4nc(O)c(C#N)cc4C3)nnc2C(C)(C)C)C1 1711276195 SDBVTNXUFUMNIM-OAQYLSRUSA-N 411.510 1.177 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 1711360266 FGWHHTXGXGSGIZ-MSOLQXFVSA-N 424.505 1.583 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1711520769 CVOMRNUKWXTOTM-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1Cl 1711843613 HEBIJUYOSHFUEC-ZFWWWQNUSA-N 416.869 1.668 30 10 HDEE COC[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1712154051 IAPKVVRFZGDHIL-KRWDZBQOSA-N 422.493 1.528 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1722357952 BJVHAMFEKSUWJJ-DLBZAZTESA-N 407.584 1.544 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(COC)CCCCC2)CC1 1722429959 VTEPFGVMEYJAEI-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)C(C)C)CC1 1722430910 CESAYYMFIRAGFC-UHFFFAOYSA-N 410.526 1.021 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(CC)C2CC2)CC1 1722432312 VPALUCBNYJLYEK-UHFFFAOYSA-N 422.537 1.165 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CC1 1722582124 LENNPXPFHQNDQH-MRXNPFEDSA-N 423.583 1.745 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1 1722685346 FWHCDBJEOZUHKJ-BLLLJJGKSA-N 422.473 1.896 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCn2cc(Cl)cn2)C1 1722721817 VYWLHSDGOKBEDU-INIZCTEOSA-N 419.917 1.732 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@H](CCOC)C1 1722727141 MDIXJLAYCHBVBU-IRXDYDNUSA-N 412.556 1.983 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1OCC[C@H]1C 1729067405 WMZUGPAETDIFHK-SJLPKXTDSA-N 411.510 1.833 30 10 HDEE CNC(=O)CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C#N)o1 1729709762 CNYSDLWFNLFRCB-GOSISDBHSA-N 422.445 1.876 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1740567170 OKRXXJGTXDNMKE-MWDXBVQZSA-N 409.556 1.411 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1740600106 IELSRGZXHSQIDO-DYESRHJHSA-N 414.510 1.400 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2nc(C)cs2)CC1 1740689690 COAVHVLYSCCFPK-INIZCTEOSA-N 404.540 1.571 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H](F)COC)CC1 1740704147 LKOHYBXIRHSVBB-INIZCTEOSA-N 400.458 1.290 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CN(CC(C)C)CCO1 1740729786 MBCHSTQMWNDAAO-NPPFBWRTSA-N 414.554 1.578 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1nncn1C 1740875433 CUOBRQAXRKLSDD-CABCVRRESA-N 405.528 1.616 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@](C)=O)CCC2)C1 1740975345 BDQPQORODBIHBS-HJWYETAXSA-N 404.540 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)CC1CC(F)C1 1740994934 WPWAUXHYBCMZNW-UHFFFAOYSA-N 413.519 1.186 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCCN1c1cnn(C)c1 1741124823 OQIKKZSXQLFWMU-JKSUJKDBSA-N 413.530 1.415 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H]1C 1746443492 NIJRXFFCBMEGBD-INIZCTEOSA-N 406.498 1.424 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC(F)F 1748836520 YRBROMDHKSEYTA-UHFFFAOYSA-N 417.416 1.416 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748950315 LVIJQKKAVREZOU-LUKYLMHMSA-N 409.556 1.411 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 1749653140 WRYLFCSIKNHBKC-CQSZACIVSA-N 417.901 1.792 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1 1749676977 JXCQRIMJJLWMSK-UHFFFAOYSA-N 418.448 1.886 30 10 HDEE CC(C)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCN(C)C2)CC1 1750899640 FLUZAPBHLSJIGQ-QHCPKHFHSA-N 423.565 1.804 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1 1760208460 CWHIGTRETFMLLH-UHFFFAOYSA-N 419.551 1.237 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1Cc1ncn(C)n1 1760253501 QXYBBCPXFSADGK-UHFFFAOYSA-N 409.494 1.737 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@@H]2CC[C@H](CO)O2)CC1 1760266343 WFVSULKUXSJZCI-RYQLBKOJSA-N 403.527 1.297 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCC(N2CCNC2=O)CC1 1760448643 KVSCCUKZZCBZEE-UHFFFAOYSA-N 411.510 1.927 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760517236 HINNVSSTQGMUCM-AWEZNQCLSA-N 421.523 1.125 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1760520682 WPXCQVYPAWHDOA-INIZCTEOSA-N 412.494 1.417 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1760522831 ZMQYCESXNHJYCT-UHFFFAOYSA-N 416.526 1.780 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1760566559 WXDXQLMZFBUJKL-INIZCTEOSA-N 424.596 1.859 30 10 HDEE COCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1771081369 NKKPUSDPDJWLIC-HNNXBMFYSA-N 405.890 1.300 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1771343124 NPTTYIFMTLNIAV-HOTGVXAUSA-N 423.539 1.258 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C[C@@H]1F 1771496792 NKCZCQWGYLMWAJ-CJNGLKHVSA-N 422.486 1.072 30 10 HDEE COc1cccc(C[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)n2nnnc2C)c1 1772790474 PAIKDJDFWRMXJT-QGZVFWFLSA-N 407.386 1.528 30 10 HDEE CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@]3(O)[C@H](O)C[C@@]21C 1848439841 QARLZCYMQMQPNT-WIJABJCOSA-N 420.502 1.467 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 1849628688 RPOIRKMXDQUMMB-DJJJIMSYSA-N 403.508 1.194 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCC#CCN1CCCC1 1850071208 NMPIJBZPVXTEEX-ZDUSSCGKSA-N 401.891 1.361 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCO[C@H](C#N)C2)cc1 1851054349 ABEKQTGHPCKOSH-AEFFLSMTSA-N 405.520 1.888 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCC#CCN2CCCCCC2)cc1 1852969983 WUNKTPJDTVCZSK-KRWDZBQOSA-N 407.536 1.358 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1F 1853692498 YLSKPHRLCWQVID-UHFFFAOYSA-N 423.466 1.810 30 10 HDEE Cn1cnnc1CN1CCN(C(=O)CCc2ccc(C#N)cc2)C(=O)C12CCCC2 1853951877 JEJQJBMAEOSFSD-UHFFFAOYSA-N 406.490 1.803 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(N(C)C)ccn2)C1=O 1854059430 KNNPPAVDUPSSBG-MOPGFXCFSA-N 413.522 1.388 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2c(C)noc2C)C1=O)[C@@H]1CCN(C)C1=O 1854097697 BVJTUMOSMXSXGW-ZWKOTPCHSA-N 402.495 1.460 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@H](C(=O)c4cccnc4)C3)C2=O)ccn1 1854145735 QYWSLOVJSSAGEO-PKOBYXMFSA-N 403.442 1.684 30 10 HDEE C=CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)[C@H]1C 1854312424 OULKTORYZXRRIH-MRXNPFEDSA-N 405.520 1.720 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3cncc(Cl)c3)C2=O)C1 1854336167 MBWRVDNJDDBJMO-KRWDZBQOSA-N 411.849 1.896 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2ccc(C#N)cc2)CC1 1854988584 VXAGCHYELRQDSR-UHFFFAOYSA-N 424.482 1.224 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855042348 WXUSAIZHRLWRHK-IAGOWNOFSA-N 416.547 1.862 30 10 HDEE COc1ccc(OCCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855073209 WMKMCNFMMMLRBB-KRWDZBQOSA-N 400.479 1.123 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1855371460 ZCYKRUZCRBDNMG-DOTOQJQBSA-N 412.490 1.541 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCN(C)CC34CCCC4)CCC2=O)CC1=O 1855412761 XEIYOKWPPRUKOR-RBUKOAKNSA-N 416.566 1.346 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)c2ccccc2Cl)C1)C1CN(c2nccnc2C#N)C1 1856231857 JTYQHCGJDLKIOJ-CQSZACIVSA-N 424.892 1.811 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1=O 1856447703 YSDRODBQNLEYKN-CQSZACIVSA-N 402.252 1.979 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)C1=O 1856497262 ZLNAKGLJKZVZHO-ROUUACIJSA-N 418.519 1.203 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCN(CCc4ccccc4)CC3)C2=O)ccn1 1856927591 NJACURRTTJWUEM-OAQYLSRUSA-N 403.486 1.555 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)CCn2ccnc2CC)C1)[C@H]1CCN(C)C1=O 1857080439 NCKCHURBRRTMFH-ROUUACIJSA-N 415.538 1.320 30 10 HDEE N#CC1CCN([C@H]2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857266613 KJXHGOPWMVVSPV-WBVHZDCISA-N 418.881 1.879 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C1=O 1857489196 BLYSBJGMZCUTLO-HZPDHXFCSA-N 424.523 1.080 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](NS(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 1858298515 QWFNAWFGJZHGNP-CQSZACIVSA-N 412.427 1.598 30 10 HDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCc1ccc(OC)cc1 1869931688 DYHRUPDLLSZEDU-KRWDZBQOSA-N 401.488 1.871 30 10 HDEE N#Cc1nnn(-c2ccc(F)cc2)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870099413 CZDSBRPVJLKWDZ-UHFFFAOYSA-N 400.351 1.926 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCCO)n2/N=C/c2ccccc2[N+](=O)[O-])CC1=O 1874341747 RHUKOBZABIGDDF-LEBHLANCSA-N 418.479 1.877 30 10 HDEE CCc1nnsc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889341956 LQXIQHNLFGKYLY-UHFFFAOYSA-N 419.595 1.751 30 10 HDEE COCCCn1c(C(=O)NCC#CCN2CCCC2)cc2c(=O)n3ccccc3nc21 1889570538 OIAZUOXWJDQORY-UHFFFAOYSA-N 421.501 1.515 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1 1890916020 WFXRGYCROGOHDU-QGZVFWFLSA-N 405.524 1.195 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)C3CN(C(=O)c4ccc5c(c4)OCO5)C3)CC2)cc1 1892376015 NWXDYIBMBTZPGF-UHFFFAOYSA-N 418.453 1.708 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1992572878 BYPPGOBJMORGRS-HJWRWDBZSA-N 404.276 1.795 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1ccc(C#CCO)cn1 2102378235 NSLBBJCQBJYCTP-UHFFFAOYSA-N 413.455 1.244 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)CC2(C#N)CCC2)C1 2118168542 FWTHDWZFQRNKQG-VWLOTQADSA-N 405.542 1.975 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(C#N)cc1Br 2124718945 FVGYSDVBSSTMGT-CYBMUJFWSA-N 423.267 1.995 30 10 HDEE CCN(CC)CCN(C(=O)OC(C)(C)C)[C@]1(C#N)CS(=O)(=O)N(C)C1(C)C 2151159455 BFOGEGIRXISHQP-GOSISDBHSA-N 402.561 1.881 30 10 HDEE N#CCC1CN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2186380951 DCYHAAMBXDCTMJ-UHFFFAOYSA-N 406.201 1.524 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2192473830 RIBHNRMSVDIDNG-HOTGVXAUSA-N 402.561 1.643 30 10 HDEE COCC1(C(=O)N[C@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)CC1 2195306541 CWYZWNBANNFHDK-GFCCVEGCSA-N 404.529 1.928 30 10 HDEE C=CC[C@](C)(CO)CNC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)OC(C)(C)C 2201838058 YEORWVDYHCZCIG-KSSFIOAISA-N 404.529 1.102 30 10 HDEE CN[C@@](C#N)(Cn1cnc2c(I)ncnc21)C1(Cl)CC1 2206502878 UKDMJUVTDOGFPH-LBPRGKRZSA-N 402.627 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825189 AAROWZRQZTXZSW-UHFFFAOYSA-N 424.282 1.398 30 10 HDEE Cn1cc(C(=O)N(CCC(N)=O)Cc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2247845718 UPVLHOUIKQVQMN-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE CC(C)(C)OC(=O)NCC1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)CC(O)C1 2249999615 XXASGJFHSGBUPY-UHFFFAOYSA-N 422.331 1.793 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H]3C3OCCO3)c2)OC1(C)C 2255766520 DVZKXVUPAXJQCP-CYBMUJFWSA-N 415.342 1.573 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258168126 BNQDKKGRYZVYEX-HOCLYGCPSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3nc[nH]n3)cc2Cl)OC1(C)C 2267357810 YJPDPHNUXAWYAX-UHFFFAOYSA-N 404.710 1.297 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3(CCO)CC3)cc2Cl)OC1(C)C 2267702221 CQYUOENNDHRKMP-UHFFFAOYSA-N 407.750 1.894 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3CC(O)C3)cc2Cl)OC1(C)C 2267707275 NUEFVGSEVVHBLS-UHFFFAOYSA-N 407.750 1.750 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCCC(=O)O)cc2Cl)OC1(C)C 2267707819 YIWXKXVSXNRQGF-UHFFFAOYSA-N 409.722 1.844 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[S@]1=O 2267711182 HNGFNSORNLQQQB-YDGUKXNOSA-N 405.372 1.189 30 10 HDEE C#CCN(C1CCCCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270498209 FBCLNHANYVIAIK-SFHVURJKSA-N 422.503 1.964 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270515616 CEJCTAWUUNRDHB-FUHWJXTLSA-N 422.503 1.520 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)C[C@@H]1CN 2282325475 FSCVCFNBBAPNID-NWDGAFQWSA-N 404.338 1.416 30 10 HDEE C[C@H](CCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282344631 WMVGVACHZHEHCL-SHZVTRLKSA-N 401.359 1.421 30 10 HDEE COc1ccc(S(=O)(=O)N=S2(=O)CCC2)cc1B1OC(C)(C)C(C)(C)O1 2282489111 CSHANORWSUWXQS-UHFFFAOYSA-N 401.315 1.555 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2282609797 NEMCSYMXRMFMEW-UHFFFAOYSA-N 414.236 1.107 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1F 2282829319 CRYYNKQINKXWEQ-NEPJUHHUSA-N 404.338 1.952 30 10 HDEE C[C@@H]1CC[C@@H](CN)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282852763 TVSVGDQWCXOSON-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CC[C@@H](CC(=O)O)C2)OC1(C)C 2284394093 UQWKUOWIUDAURN-NSHDSACASA-N 401.315 1.533 30 10 HDEE COC[C@@]1(C)C[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284677343 PGMMCXOJSJAVAV-BLLLJJGKSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3CC[C@@H]3N)ccc2Cl)OC1(C)C 2287581035 VWHXTJTYDGMFRQ-ABAIWWIYSA-N 400.737 1.655 30 10 HDEE O=C1C(=O)N(CCO)[C@H](c2ccccc2[N+](=O)[O-])C1=C(O)c1ccc([N+](=O)[O-])cc1 2296125991 YDNMMRXVQNNNHG-MRXNPFEDSA-N 413.342 1.917 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@@H]4CN[C@H]3C4)cc2Cl)OC1(C)C 2334266809 XIUSOKWEICVUMC-PTOFAABTSA-N 404.750 1.339 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CCC1 2342096003 ZCZYKFPRGMHXDL-UHFFFAOYSA-N 419.499 1.690 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@H](O)c1cn(C)nc1I 2361373052 JNKJKJXCYQIVPZ-NWDGAFQWSA-N 405.305 1.935 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N2CCC(S(C)(=O)=O)CC2)OC1(C)C 2362568410 WAOLFHZDIHHRKJ-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cn1nc(I)cc1[C@H](C#Cc1nccs1)OCCCN 2363525548 JEAVTCZMYDFJOQ-NSHDSACASA-N 402.261 1.939 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CC(NC(=O)OC(C)(C)C)C1 2365197505 VXEXNLNBTZDVJS-OAHLLOKOSA-N 401.573 1.390 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)[C@H]1CCN1C(=O)OC(C)(C)C 2365207453 OJWOGBHNMIOEOG-SPYBWZPUSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789751 FFEHEOMTAZRQCD-CXAGYDPISA-N 401.481 1.436 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CF)CNC(=O)OC(C)(C)C 2367809264 LPPYXKFKMGPCQT-KSSFIOAISA-N 406.520 1.161 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C(C)(C)NC(=O)OC(C)(C)C 2367819184 ONQIGEUMMBFEHU-LSDHHAIUSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCC[C@@H]1NC(=O)OC(C)(C)C 2367825918 TYCBGUPESKBQPP-VCBZYWHSSA-N 400.541 1.353 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N1C[C@H](C#N)N2CC[C@H]1C2 2368599666 SMOBIOFCCKKJNT-YUMQZZPRSA-N 403.078 1.367 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H](N)C1(C)C 2380430979 WKVRSPJNDVBXSF-CYBMUJFWSA-N 400.375 1.856 30 10 HDEE CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)[C@H]2c2ccccn2)cc1 102584957 SCZNUAJCCFDMJO-HQMFNGAOSA-N 412.442 1.911 30 10 HDEE C=CCN1C(=O)/C(=C\c2c(NC[C@@H](C)O)nc3ccccn3c2=O)SC1=S 102848294 MZLAWANMCHFUGO-VSXLWIIGSA-N 402.501 1.874 30 10 HDEE O=C(O)CCc1nnc(S)n(/N=C\c2cc(Cl)c(O)c(Cl)c2O)c1=O 169883680 GSQCAQGRKVSBMU-XRVIQIRUSA-N 405.219 1.544 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)cc1 257196407 YELSNUWEOXIGAG-PMACEKPBSA-N 406.442 1.474 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cccc(N4CCN(C)CC4)n3)CC2)c1C#N 427584523 WDTDPPOSGKYXIA-UHFFFAOYSA-N 411.535 1.432 30 10 HDEE CC[C@H](NC(=O)NC1CCC(Oc2ncccc2C#N)CC1)C(=O)N1CCOCC1 446627052 DPHRMHGYERYFPY-ABHNRTSZSA-N 415.494 1.580 30 10 HDEE Cn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccnn2-c2ccccc2)c1=O 447783686 TYANPOXXPGYTDU-UHFFFAOYSA-N 419.510 1.194 30 10 HDEE COc1ccc(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1NC(=O)c1ccccn1 471939828 GZDRERUJGFIWAP-IBGZPJMESA-N 416.459 1.646 30 10 HDEE N#Cc1ccnc(NS(=O)(=O)c2ccc(S(=O)(=O)NCC(F)(F)F)cc2)c1 473761081 ZAPUBGRTEVOTIF-UHFFFAOYSA-N 420.394 1.595 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2CC)c1=O 478743235 SVMYTZRBUMQWDM-UHFFFAOYSA-N 415.490 1.063 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@]3(CCCOC3)C2)c(C#N)cn1CCOC 480102251 BHGIQNUHUMUROZ-HXUWFJFHSA-N 420.466 1.596 30 10 HDEE CS(=O)(=O)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)Cc2ccccc21 480225045 WFJQPDNZXKAORL-UHFFFAOYSA-N 414.487 1.928 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(C(=O)CNC(=O)c2cccnc2)CC1 481209597 ORSBQEZRFTYMJZ-UHFFFAOYSA-N 400.442 1.580 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 506037503 UEHFXSDFTAAASG-IBGZPJMESA-N 412.490 1.123 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@@H](CC)O[C@]2(CCOC2)C1 508803631 YBFRBHPTYZZDKT-WIYYLYMNSA-N 422.493 1.881 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)cc1 509109513 KVTJKYCVZRAEJS-UHFFFAOYSA-N 404.536 1.600 30 10 HDEE CC1(C#N)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 509406735 NGEWRFYCCLPYIL-UHFFFAOYSA-N 406.327 1.941 30 10 HDEE CO[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccc(O)cc1 545913167 YIIFHJFYUFFJMC-IBGZPJMESA-N 415.471 1.484 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 549656484 IZTXBKKOLDMVNS-AWEZNQCLSA-N 420.495 1.900 30 10 HDEE CNS(=O)(=O)C1CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 550262880 BPDUCWWGYJLMJA-OAHLLOKOSA-N 408.524 1.344 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cc(OC)ncn2)CC1 577531005 CCMVRPOOORPGQY-MRXNPFEDSA-N 417.514 1.703 30 10 HDEE CCc1nnc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1CC(C)C 582500546 ZITZAQTVJXIXLN-UHFFFAOYSA-N 402.524 1.879 30 10 HDEE Cc1cccc([C@@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)c1 585715846 NFRPLMGSEJWZMX-OAQYLSRUSA-N 424.476 1.812 30 10 HDEE CCOC(=O)C1(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCOCC1 585864218 HJDVKGFZVQAMOG-GOSISDBHSA-N 403.454 1.894 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)c(F)c1 609231165 NAJNTFHSJMAZOB-UHFFFAOYSA-N 418.450 1.111 30 10 HDEE CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 609283505 JBPQPTPOIXWCOL-RHSMWYFYSA-N 401.536 1.986 30 10 HDEE CCOC(=O)CCC1CCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 610997390 XENOPMJWFIHHHQ-UHFFFAOYSA-N 417.510 1.559 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@@H]2C(F)(F)F)CC1 611432644 DMCZYMUWQZBLRA-DZGCQCFKSA-N 402.442 1.720 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)NCC(C)C)cc2C1=O 623391616 HIPARRQBMPQOHI-MRXNPFEDSA-N 401.488 1.756 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2ccoc2)c1=O 727415048 HENZGOHQXLULSU-UHFFFAOYSA-N 405.479 1.926 30 10 HDEE CS(=O)(=O)N(c1cccc(C(=O)/C=C/c2cnn3ccccc23)c1)S(C)(=O)=O 729823848 RZHBDVBEBDEZHV-MDZDMXLPSA-N 419.484 1.956 30 10 HDEE C=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(OC)ccc1OC 730143707 CTDWXYVGXBYRKK-QGZVFWFLSA-N 420.535 1.889 30 10 HDEE C#CCN(C(=O)c1csc(CNC(=O)OC(C)(C)C)n1)[C@@H]1CCS(=O)(=O)C1 732756441 GIOUKYBOMLSWNT-GFCCVEGCSA-N 413.521 1.430 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@H](C(=O)OCC)C3)ccc2c1=O 741224232 CVBXLLDVBYHHSP-OAHLLOKOSA-N 403.460 1.275 30 10 HDEE C[C@H](C#N)CNC(=O)C[C@]1(C(=O)NC[C@@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 742253084 IAXXKISSBVEAEI-QEEYODRMSA-N 405.499 1.555 30 10 HDEE COc1ccc(COC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1C#N 747020704 LIRRYMUHSUIVQA-IEBWSBKVSA-N 412.417 1.954 30 10 HDEE COc1ccccc1-n1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(C)c2)c1=O 748065129 IFCALUKBTNACSR-UHFFFAOYSA-N 420.494 1.513 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 758487438 ZCKXGKUMJGDDDZ-IRPICPOESA-N 423.395 1.551 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=Cc2cnn(-c3ccccc3)n2)C1 764566820 RJBKRXRVZSWMFN-LJQANCHMSA-N 400.483 1.091 30 10 HDEE Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 766704232 MWKCGOABHJOMOU-LBPRGKRZSA-N 403.508 1.862 30 10 HDEE CC(=NNc1ccc(C(N)=O)nn1)c1cc2c(cc1Br)NC(=O)CO2 767384513 DZJUHIGXTSPIBB-UHFFFAOYSA-N 405.212 1.505 30 10 HDEE C#CCN(C(=O)NCc1ccc(Br)cc1F)[C@H]1CCS(=O)(=O)C1 774214044 RUBQLTWDEKHEAI-ZDUSSCGKSA-N 403.273 1.920 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C#N)cn1CCOC 775765199 JWICFQDOKARKIG-INIZCTEOSA-N 414.466 1.387 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)c3cccc(F)c3C#N)CC2=O)cc1 781591989 JNPNEJVIZZAODR-ZDUSSCGKSA-N 401.419 1.864 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 781915315 ZBJKFKROPSYHCI-LPHOPBHVSA-N 421.567 1.401 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OCC)cc2)n1 788694824 XOTVSNJPKRXFRQ-UHFFFAOYSA-N 405.476 1.530 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@H]2CS(=O)(=O)NC)CCCN1C(=O)OC(C)(C)C 790741312 GHXNXGGWVCNKNT-KXBFYZLASA-N 415.556 1.872 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)N1CCC(COC)(C(=O)OCC)CC1 797386021 GBARVJDIDPPHSD-UHFFFAOYSA-N 402.447 1.455 30 10 HDEE CC(=O)Nc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CCF)c1 797812281 TXIGONHELDXNOM-INIZCTEOSA-N 423.514 1.614 30 10 HDEE CC[C@@H]1C[C@H]1N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 797816205 KWUQUIXVUWONEZ-BMFZPTHFSA-N 419.551 1.888 30 10 HDEE C=CCN1CC[C@H](OC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)C1=O 798571920 IPAFQURXDLNVNU-AWEZNQCLSA-N 421.247 1.765 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 800707544 SJAGCLHWISFCDT-UDJKBAMHSA-N 412.494 1.635 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC(C)C)cc2)N(Cc2cnn(C)n2)C1=O 807938004 RPPRKNHWVGVNFP-INIZCTEOSA-N 416.507 1.870 30 10 HDEE C#C[C@@H](NC(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2)C(C)(C)C 812029438 BSSUEOJPIZDYLZ-SNVBAGLBSA-N 408.304 1.258 30 10 HDEE Cc1ncc(S(=O)(=O)Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C#N 813642274 BZFIBZZBMXMQCS-UHFFFAOYSA-N 423.472 1.050 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)N1CCN(c2cnccc2C#N)CC1 813755831 CVNJFBBRYCVCBY-SNAWJCMRSA-N 400.483 1.866 30 10 HDEE COc1ccc(Br)c(CNN=Cc2nccn2S(=O)(=O)N(C)C)c1 814911856 FRAFLHFDIYBCTB-UHFFFAOYSA-N 416.301 1.432 30 10 HDEE Cn1cc(CC(=O)NS(=O)(=O)c2ccc(C#N)c(Br)c2)c(Cl)n1 816057455 AGGKAAXKRIGZRU-UHFFFAOYSA-N 417.672 1.755 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)c([N+](=O)[O-])c2)c(=O)n1C[C@@H]1CCCO1 916197242 OWJIQSXEYVSIOO-ZDUSSCGKSA-N 416.846 1.677 30 10 HDEE CCOC(=O)N[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)CC(C)C 916629410 IZPPQHMZYYTFSS-QGZVFWFLSA-N 402.499 1.946 30 10 HDEE COC(=O)c1nn(CN2CCN(c3cc(C#N)ccn3)CC2)c(C)c1Br 920761204 GFUWKLGOBWYSKV-UHFFFAOYSA-N 419.283 1.787 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccc(OC)cc3)n2)o1 1084393536 MCEUJLDQZUXUPM-UHFFFAOYSA-N 416.467 1.613 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 1126547400 WQYNPVBRUGJEAH-SFHVURJKSA-N 405.520 1.831 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](C)Cc2cn(C)c3ccc(F)cc23)C1=O 1129820820 YQJZGJCUKUVZHW-GFCCVEGCSA-N 400.410 1.341 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C2CCC2)cc1 1130016737 ZRJSHBRJIWOOGK-GOSISDBHSA-N 424.544 1.803 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2nnc3n2CCCCC3)s1 1136134040 BQSMGZURAUCUDO-ZDUSSCGKSA-N 423.564 1.950 30 10 HDEE C=C(C)Cn1c(SCC(=O)N[C@@H](C)[C@H]2CN(C)CCN2C)nnc1-c1ccco1 1136874853 UTOZBHXHWUXSTR-JKSUJKDBSA-N 418.567 1.957 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)CC1 1144029153 ZHPMLYBGEIJGMW-ZWKOTPCHSA-N 422.570 1.600 30 10 HDEE CC(C)(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)cc1 1159324779 NGILMGGASUTHTH-KRWDZBQOSA-N 423.535 1.491 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nnnn1C1CC1 1171949153 BKLGRVZXQFRHGS-SNVBAGLBSA-N 416.283 1.956 30 10 HDEE C[C@@H](N[C@H](CO)c1ccccc1I)C(=O)NC1(C#N)CCC1 1176842027 NXYPAZRDAUVLAV-BXUZGUMPSA-N 413.259 1.865 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CN=S(C)(C)=O)CC2)cc1 1178421391 YIUPEONDKONPQY-UHFFFAOYSA-N 413.565 1.731 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C[C@H](O)CC1(C#N)CCOCC1 1191165000 QRUGXXLHYORZQR-GOSISDBHSA-N 410.559 1.542 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(OC)cc2Br)CC1 1192987448 AZZRWTUSEDMQMR-UHFFFAOYSA-N 402.314 1.043 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2CS(C)(=O)=O)c1 1211915879 LWNRJMFZKBZDJV-OAHLLOKOSA-N 400.522 1.190 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC(C)(C)[C@H]2COCC23OCCO3)c1 1212126224 MPSKSTBBPPGNNR-QGZVFWFLSA-N 424.519 1.296 30 10 HDEE C=C1CCC(C(=O)N2CCN(CCCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CC1 1283819811 ABSHSMYHLMZDTN-TXVWBRJLSA-N 401.551 1.807 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1286276227 WOANURRDIXAVPL-LZLYRXPVSA-N 424.615 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)N(C)C 1286279022 IUUFPOUBBCYKMM-HOTGVXAUSA-N 418.567 1.603 30 10 HDEE C#CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O 1286366128 UWROSXCIRIYOBK-HTXNQAPBSA-N 421.417 1.449 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCCCC1 1286404320 PPCZFKFCVAFQCB-UHFFFAOYSA-N 416.489 1.689 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1286441540 YWJSLRKMQGDZRK-UHFFFAOYSA-N 402.409 1.662 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3OC)n2CC2(O)CC2)CC1 1286474858 RNULFVVMVZQYHI-UHFFFAOYSA-N 401.898 1.887 30 10 HDEE C=CCCOCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)CC1 1286715025 ZKNCUIOKCRNOFM-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE CN(C)CCOc1ccc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1289437117 UTCPEJYYWIVLAU-DQHWKFJXSA-N 403.504 1.037 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)COc1cccc(Br)c1C#N 1289614596 SOZJYUKXPWSZBL-QGZVFWFLSA-N 421.251 1.644 30 10 HDEE CCn1cnnc1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1295965771 CRONZHPJIYSYJV-UHFFFAOYSA-N 419.493 1.568 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)C(C)(C)C 1300267679 IJAAZWDFKUKMGH-CQSZACIVSA-N 411.572 1.868 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nncn1CC 1300309862 VQXDHKHGWMQHSL-MRXNPFEDSA-N 420.525 1.570 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1300630374 BXAONFUWXFLUQA-SFHVURJKSA-N 402.520 1.834 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1301197445 TZSGQOWRYMFACR-HOTGVXAUSA-N 421.571 1.657 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1301259929 QSCILEUGNNSCHZ-GOSISDBHSA-N 411.510 1.413 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1S(=O)(=O)N(C)C 1301297044 WKNSEPDMMVTVCM-HNNXBMFYSA-N 418.523 1.150 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(C)C(=O)C1 1301484514 HQIWMYKAFUEKOC-UHFFFAOYSA-N 410.522 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@]2(CCCOC2)C1 1301589502 TZDKSQZWAFSXSX-LPHOPBHVSA-N 410.540 1.390 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)C1 1303933097 FWHGOGWSROBAJV-HRAATJIYSA-N 413.526 1.666 30 10 HDEE CS(=O)(=O)[C@H]1CCCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1309451618 AOGGCXUZDFRXOP-ZDUSSCGKSA-N 421.338 1.909 30 10 HDEE C#CC1(O)CN(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)C1 1312733006 HLSATHTWDVFHEZ-OAHLLOKOSA-N 405.520 1.005 30 10 HDEE CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1314787245 FHWUJIKWKRJPOL-LJQANCHMSA-N 401.492 1.213 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@H](S(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1314914722 CQZPFGFUFHVWMI-HNNXBMFYSA-N 400.464 1.420 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318502941 WXQWHMQDSQRBQU-INIZCTEOSA-N 408.439 1.596 30 10 HDEE CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(N2CCN(C)CC2)c(F)c1 1327675000 IKDRVICIVVHNTA-UHFFFAOYSA-N 414.514 1.649 30 10 HDEE CC(=O)N1CCC[C@H](COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1357580713 RDMSQJQNJRNDSN-FUHWJXTLSA-N 412.446 1.565 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1358870425 NBQCSLWOUWHZRN-OAHLLOKOSA-N 409.494 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2cc(OC)ccc2n1C 1358887123 PWFJQPQSWQUISW-HIFRSBDPSA-N 407.478 1.631 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1F 1358890839 WFSQFXUUKUQRBO-RHSMWYFYSA-N 421.498 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)N(C)C 1358972021 QQIRMPVQAAALOS-UHFFFAOYSA-N 411.462 1.132 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1359167046 REMXVQPEBAZKCM-LJQANCHMSA-N 410.522 1.915 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359226359 DNBVPECJPXJNRU-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1359288212 LVPXZUAMENKDPR-UHFFFAOYSA-N 406.494 1.965 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1359291936 FGDHVFBLHHMTOT-JONQDZQNSA-N 424.571 1.205 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC(C)(OC)C1 1359296478 KTEQWMZSORYMCB-UHFFFAOYSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1359299655 KMBLSBMITRUJDZ-UHFFFAOYSA-N 414.489 1.494 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1359299685 LACNEPVDVFIUBT-UHFFFAOYSA-N 415.542 1.574 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccccc2)C1 1359314133 WMNLVIRJZNMJRZ-WBVHZDCISA-N 405.524 1.718 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1359343771 ASRORLFZWYXPFD-UHFFFAOYSA-N 420.583 1.323 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](c3cc(-c4ccccc4)[nH]n3)C2)C1=O 1438933213 KIFAAQZOKWUKFK-MRXNPFEDSA-N 421.457 1.760 30 10 HDEE C#CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 1442017394 JXFOQMLWPZYDOH-QGZVFWFLSA-N 408.520 1.286 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1447624131 GIENRYNUXANTMA-SJORKVTESA-N 416.478 1.710 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@](O)(/C=C\OCC)C(F)(F)F)cc1 1450342438 NZLHIMSORKBWMD-HGPCXVNDSA-N 420.409 1.172 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccccc2OC)C1=O)C(=O)OC 1455837168 PUYJTJSSGOHYGT-VFNWGFHPSA-N 417.462 1.476 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1 1460188938 VDMVFBCYFSCVFX-UHFFFAOYSA-N 414.483 1.491 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N(C)C[C@H](O)c1cccc(C#N)c1 1460356285 OTCJISFQGBTUGW-JTSKRJEESA-N 408.502 1.966 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N1CC(=O)N(CC(F)(F)F)C1 1463657393 IEXTYYIUCHEFDW-UHFFFAOYSA-N 412.187 1.673 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c1 1466083784 YYWAFGSDKCMXKE-NQIIRXRSSA-N 417.575 1.582 30 10 HDEE COc1cccc(/C=C(\C(=O)NCc2ccc(C(=O)NO)cc2)n2nnnc2C)c1 1467528570 ZGBKNEDKJGSLSF-WOJGMQOQSA-N 408.418 1.424 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1470662046 BYLSEWZQGXKWBH-WMZOPIPTSA-N 412.490 1.880 30 10 HDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)NCC#CCN(C)C)CC2)c(Cl)c1 1471628927 GIUXIJQWRLFDMT-QGZVFWFLSA-N 420.941 1.835 30 10 HDEE Cc1ccc(SCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)c(C#N)c1 1473079592 AASSMXYZXOWVQV-UHFFFAOYSA-N 407.503 1.984 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(I)cc(C(=O)OC)c1 1476354275 SJTWUWCLCYOCPQ-NSHDSACASA-N 402.188 1.584 30 10 HDEE CN(C)CC#CCNC(=O)NCCOc1ccc(I)cc1 1478514331 OIEDQVBTRMIGAI-UHFFFAOYSA-N 401.248 1.534 30 10 HDEE CCN(CCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1502203989 CUYCWQJOMGRKIZ-SFHVURJKSA-N 400.531 1.599 30 10 HDEE CCOCCCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1503176790 LVMKXUQJADEDBW-FXAWDEMLSA-N 407.515 1.864 30 10 HDEE CN(c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CCSC1 1503437030 YVBMHBWEVKKQAD-FFVXTIDOSA-N 418.523 1.598 30 10 HDEE CNS(=O)(=O)CCn1c(C)nnc1N1CCC(Oc2cccc(C#N)c2)CC1 1503832746 HKJZKPSFWAURQM-UHFFFAOYSA-N 404.496 1.055 30 10 HDEE COC[C@H](F)Cn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504602967 MMULYMQRADSWGM-OAHLLOKOSA-N 409.425 1.860 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccncc2Cl)CC1 1507717035 XWXYJDBUSWSKJE-UHFFFAOYSA-N 401.902 1.268 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1507810122 ZIDGJXATMRCEAP-BCYZHJNNSA-N 417.510 1.712 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1507843925 YMSOWKVLRZVBIL-JKSUJKDBSA-N 415.498 1.897 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ncccn2)CC1 1507955023 USEOWFVBLSQAHY-INIZCTEOSA-N 417.539 1.263 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCCS1(=O)=O)C1CC1 1507995401 JWHDMSMWHXFIDY-INIZCTEOSA-N 407.540 1.523 30 10 HDEE C[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1510052482 NBVQGCWOHCUXFZ-HUUCEWRRSA-N 411.510 1.657 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCC(C)(C)O 1510153809 DXBHEOLLCJOGHW-CQSZACIVSA-N 420.539 1.557 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCOC 1513970044 DLFHCNWJYGSGMZ-LAUBAEHRSA-N 412.494 1.319 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1517667784 GXYAHANONYXLHI-UHFFFAOYSA-N 406.450 1.383 30 10 HDEE C[C@@H](CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)n1cc(Br)cn1 1517928583 HMKQXGSSITTYAH-QWHCGFSZSA-N 418.299 1.996 30 10 HDEE COc1ccc(-c2nnc(N3CCC[C@](C)(C#N)C3)n2CC(=O)N2CCOCC2)cc1 1518143985 AQJZDMHLRDEXOG-JOCHJYFZSA-N 424.505 1.943 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1519269537 GAXOXHFAFDANTB-FOIQADDNSA-N 404.515 1.610 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@H](C(N)=O)C3)n2CC2=CCCOC2)cc1 1521101641 GCHDNMRODLXMIN-KRWDZBQOSA-N 408.462 1.387 30 10 HDEE N#Cc1cccc(C2(NC(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCOCC2)c1 1529260390 SYZXZTMPVNBLMT-IBGZPJMESA-N 418.453 1.821 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cn(CCCNC(=O)OC(C)(C)C)nn2)C1=O 1530489584 DBQUDXWSPNPYGZ-OAHLLOKOSA-N 406.487 1.052 30 10 HDEE C#CC1(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCCC1 1536325100 NITAKCXMQRPXMI-OAHLLOKOSA-N 402.472 1.686 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OCC 1536578791 MCEDAWBGOHGLHN-AOMKIAJQSA-N 413.474 2.000 30 10 HDEE CCOC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1537829909 KKTOFTXKUWWTQJ-NVXWUHKLSA-N 423.491 1.109 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN(C)C(C)C 1539170884 CKUXAHBYFRZKAI-UHFFFAOYSA-N 407.522 1.992 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCC[C@@H](C)C1 1539171591 LLOSJPJADUHWDG-QGZVFWFLSA-N 419.533 1.993 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1539175003 PRVXMDDPBGWQBG-GOSISDBHSA-N 408.506 1.492 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1[C@@H]1C[C@H]1C(C)C)[C@@H]1CCS(=O)(=O)C1 1539216542 USDGEGGUUDZCIZ-IXDOHACOSA-N 402.524 1.522 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(OC)c1 1539364962 CYZHHSJPPWBKPA-QGZVFWFLSA-N 410.478 1.127 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)c1ccc(OCc2ccccc2C#N)cc1 1539387896 YCTSJTJKSKRXPA-IBGZPJMESA-N 407.426 1.593 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2nncn2C)CC1 1539429641 BVZHSBFDTXMHOW-INIZCTEOSA-N 424.484 1.489 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1540200780 IEEAVFYAVRKGME-QGZVFWFLSA-N 419.551 1.765 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CCC2)CC1 1540866382 LLKKWSUCYPUJFL-UHFFFAOYSA-N 415.929 1.970 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NC(C)C)C1 1540887773 DANPTMBJJZCJAF-MRXNPFEDSA-N 413.478 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H]1[C@H]1CCCO1 1540902246 DZXMMEWYFBRHQW-FGTMMUONSA-N 424.567 1.921 30 10 HDEE C=CCN(C(=O)c1ccc2nc(O)n(CCN(C)C)c2c1)[C@H]1CCS(=O)(=O)C1 1542217189 SHLMJUUYUDAWKA-HNNXBMFYSA-N 406.508 1.119 30 10 HDEE CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1543829174 ODPVMFXHEWWDHS-KRWDZBQOSA-N 417.941 1.708 30 10 HDEE CC[C@@H](C)CN(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1545626799 ZEKXSOIMIUNHGU-RMYFCYLKSA-N 412.498 1.687 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)[C@H](OC)c1ccc(F)cc1)c1cc[nH]n1 1546150652 UNFKEBKKNDTTES-SGTLLEGYSA-N 406.414 1.725 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1546858268 SCASDBHVHJRHGQ-ZYSHUDEJSA-N 424.505 1.931 30 10 HDEE CNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cc(C)cn2)CC1 1554433016 COAPGQSHHUHZNH-UHFFFAOYSA-N 418.505 1.984 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCSCCCO 1555079296 WROAIESOOKRUPE-KRWDZBQOSA-N 417.535 1.722 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@@H](C)C#N)n1CCC(=O)N(C)C 1555092197 APZXAAIYZQIBRY-HNNXBMFYSA-N 400.483 1.940 30 10 HDEE CO[C@H]1CCCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1555147251 KMWCCSGQIHWALD-VUAZUDAXSA-N 402.499 1.717 30 10 HDEE Cc1nn(C)c2sc(C(=O)N[C@H](C)C(=O)NCc3ccc(C(=O)NO)cc3)cc12 1556381669 BJVWNFFXZBYRED-LLVKDONJSA-N 415.475 1.497 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@]3(C)CN(Cc4ccccc4)C[C@]3(C)C2)C1=O 1557784899 CZGBIUPAQFLXBT-DHIUTWEWSA-N 424.501 1.334 30 10 HDEE C[S@@](=O)C1(C(=O)NCC#C[C@H]2CCCCO2)CCN(C(=O)OC(C)(C)C)CC1 1558750594 HMMRHZSXZACOSL-WVDZOPJMSA-N 412.552 1.823 30 10 HDEE C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805561 QQFKCKNANCZWJQ-VIFPVBQESA-N 409.229 1.978 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)C2)nc1 1559037313 RJXIAWHORZPCPE-AABGKKOBSA-N 423.517 1.797 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)nc1I 1559429503 BJELMFPKVMDIIP-UHFFFAOYSA-N 423.170 1.857 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)CC1 1562081543 YQIGKEWYKQFNKN-UHFFFAOYSA-N 421.519 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc3nc(O)[nH]c3c2)s1 1566775250 WEZSITYRBXCRDS-UHFFFAOYSA-N 406.489 1.653 30 10 HDEE COCc1noc(CN2CCN(C(=O)c3cccc(C#N)c3Br)CC2)n1 1567689694 BGDRYOWUGCYIGY-UHFFFAOYSA-N 420.267 1.808 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)c1ncnn1C 1568642611 ALFRLJPDNBROKL-OCCSQVGLSA-N 404.496 1.146 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)c1 1570797698 DMLILIHDMGLXAS-GOSISDBHSA-N 424.494 1.811 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)cc2S1(=O)=O 1584070692 GVBYWWJSNIFZQB-GFCCVEGCSA-N 414.274 1.819 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1584656982 LPDJWYDEYJWDRX-AQZMIJIOSA-N 404.511 1.852 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)COc1cccc(Br)c1C#N 1585021707 MGEKOWPZMNXVQH-LLVKDONJSA-N 401.282 1.735 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)c3ccccc3F)CC2)nc1 1585237819 WGYKBLYDNUZCOR-IBGZPJMESA-N 423.448 1.472 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2Cc3ccc(C)c(Br)c3C2)C1=O 1586947788 NEDMAJBFWJLSIB-UHFFFAOYSA-N 406.236 1.577 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnnn3C)cc2)ccc1F 1587404530 DIOQVODNHNBFJV-UHFFFAOYSA-N 416.438 1.733 30 10 HDEE N#CCCN1CCN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CC1 1587542669 WXHCQJLTSXCFNA-UHFFFAOYSA-N 405.252 1.103 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1587652043 TWIDKNIEPDFDPI-QUCCMNQESA-N 423.565 1.665 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1587783670 VBYNNQCAYDQQCR-KRWDZBQOSA-N 416.526 1.919 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3nnnn3C)c2)s1 1587839006 YWMDUHNCNBZCAJ-UHFFFAOYSA-N 418.504 1.584 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1587945860 RSYZOJTYLJGRJB-BTYIYWSLSA-N 400.479 1.962 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1588139030 CEXQVXYTKPZCHA-CABCVRRESA-N 420.514 1.833 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCOCC1 1588159588 ZJWNOWWTAKUQCP-SFHVURJKSA-N 409.538 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1588233889 UZBOTNYKIPXEDW-OQRWROFFSA-N 424.592 1.190 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588742148 OICDBSYFMDIDHC-KRWDZBQOSA-N 410.513 1.513 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC(C)(C)CN(C)C)CC1 1588954914 MJVBZYXMYYHCBT-UHFFFAOYSA-N 400.571 1.784 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N1CCC(C)CC1 1595297858 ZDGVCNMKXOCIAW-QZTJIDSGSA-N 404.559 1.988 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)c2cc[nH]n2)C1 1595730018 SAAHRTXJLJBPSP-OAHLLOKOSA-N 401.515 1.801 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1609532162 JTSXDNHPQJNKHL-SJORKVTESA-N 424.461 1.846 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1conc1COC 1613595268 ZMAHKQGLDGHORP-HNNXBMFYSA-N 417.470 1.108 30 10 HDEE CCOCCC1(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@H](C#N)C2)CC1 1617070740 OCFURDGCXQBCNW-KSZLIROESA-N 419.526 1.938 30 10 HDEE Cc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nn1-c1ccccc1C(C)C 1618171850 PTFRXDHMJMSWOV-MGPUTAFESA-N 413.503 1.710 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1618502364 JJUKXJCDCOPVRI-JOCHJYFZSA-N 421.505 1.305 30 10 HDEE C[S@](=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1620178221 BDDPMCLIGFGXGB-UULLZXFKSA-N 408.503 1.257 30 10 HDEE CC(C)N(Cc1cnn(Cc2ccccc2)c1)C(=O)Cn1cc(C#N)c(O)nc1=O 1623993126 UXFFIMXGZNOYIS-UHFFFAOYSA-N 406.446 1.503 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1625437522 RSPIRUPCXOUAPC-GOSISDBHSA-N 423.477 1.817 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Nc3sccc3C#N)CC2)C[C@@H](C)O1 1626073808 GMGFTGLFYIHPHX-BETUJISGSA-N 413.525 1.123 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(CCC(=O)OC)cc1)c1cc[nH]n1 1627443767 TYISABIWMDKZFN-UHFFFAOYSA-N 402.407 1.438 30 10 HDEE COC(=O)[C@H](Cc1ccncc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1628439218 YTDGHZNLORMPCM-INIZCTEOSA-N 405.407 1.032 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC(C)(C)C)c2ccccc2)CC1 1628504127 ARDMBLPAKLQORA-GOSISDBHSA-N 406.552 1.959 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N[C@@H]1CN(c2ccc(Br)cc2)C1=O 1629165108 MVUQLBYKLBEKGL-CYBMUJFWSA-N 401.220 1.875 30 10 HDEE N#Cc1c(CCCNC(=O)c2ccc3c(n2)OCCO3)nn(-c2ccccc2)c1N 1629709135 DVUIYBVNBYEBHX-UHFFFAOYSA-N 404.430 1.855 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@]2(C)CCNC2=O)cc1 1630687250 NCLUZGGLYDBUOE-QZMYASAMSA-N 406.508 1.744 30 10 HDEE C=CCN(C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)[C@H]1CCS(=O)(=O)C1 1630847430 YVACPPSRFZBVHQ-NSHDSACASA-N 406.291 1.320 30 10 HDEE C#CC[C@H]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1630864281 KDECAMWRZLVQCZ-IBGZPJMESA-N 403.548 1.563 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1631506489 IUVHSWIPRIUYAF-PLNGDYQASA-N 411.455 1.934 30 10 HDEE C[C@@](CO)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1633332946 MUHYSLBUUKYSOB-LJTZQCLUSA-N 411.380 1.946 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1635510897 GTPLJAAKIGHUJE-VPZZIHKRSA-N 405.476 1.058 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCN(c4ccc(F)cc4C#N)CC3)CCC2=O)cn1 1635887710 GJYIZGWZDRRMMJ-HNNXBMFYSA-N 410.453 1.523 30 10 HDEE NC(=O)CC[C@H](NC(=O)CCC1CCCC1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1636303945 DAZWCYXRMLLBFD-SFHVURJKSA-N 419.522 1.571 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@@H](C)[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1636313828 URUDTQUABVQBTC-ZRGWGRIASA-N 415.556 1.715 30 10 HDEE N#CC1(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCSCC1 1636413503 FHBRRRZYCRGIGW-UHFFFAOYSA-N 409.533 1.351 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1636664369 IBZHSTAOMKLSFA-LUKYLMHMSA-N 420.506 1.550 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NC[C@H](O)c2ccccc2Br)cc1 1637960087 CTZQJWGZUPQHDM-INIZCTEOSA-N 402.248 1.900 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)Cc2ccc(OCC#N)cc2)cn1 1638037552 IVSATZDRVDDNGL-GOSISDBHSA-N 402.476 1.253 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 1638782171 MWFPYPKECZHPIB-IYBDPMFKSA-N 400.483 1.841 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)NCc3cncc(C#N)c3)CC2=O)cc1OC 1638830458 ASEIOQFKCIIYEU-GOSISDBHSA-N 408.458 1.678 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC(C)(C)C2(O)CCOCC2)ccc1F 1639477618 CDGCZBPOFVJXFM-UHFFFAOYSA-N 414.499 1.588 30 10 HDEE C=CCOC[C@H](NC(=O)Cc1ccc(S(=O)(=O)CC(F)(F)F)cc1)C(=O)OC 1639558992 RSJGDPXZFLXITE-AWEZNQCLSA-N 423.409 1.426 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)OCC)CCCC2)s1 1639854794 WIURGCYHLXKTJP-UHFFFAOYSA-N 414.549 1.995 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@H]1c1cccc(C)c1 1640636887 OORWPSGBNPMFOM-IEBWSBKVSA-N 421.457 1.122 30 10 HDEE CN(CCN(C)C(=O)[C@@H](O)c1ccc(C#N)cc1)CCN1C(=O)c2ccccc2C1=O 1641857293 RUIXOOJFTVUUMN-FQEVSTJZSA-N 420.469 1.278 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)C1 1644831085 MEQXRCDQKVQCAS-CVEARBPZSA-N 408.296 1.803 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CC1 1645391399 PVYXBZFNZCQLFC-UHFFFAOYSA-N 400.869 1.476 30 10 HDEE COC(=O)C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1CCCC1 1645561259 LFBUXWYFILDKHQ-DYVFJYSZSA-N 407.492 1.463 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCCN(CC2CC2)C1 1647791541 CDLAXGXMZMIHNJ-CRAIPNDOSA-N 404.536 1.463 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1=O 1651414178 GVQBRVBSQKPDEV-UHFFFAOYSA-N 402.252 1.377 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(Nc2ccccc2C#N)CC1 1655207814 BIKVNVHASUZRMY-SFHVURJKSA-N 419.533 1.962 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1673710593 BWDPGZSGLMWKJP-BZUAXINKSA-N 413.540 1.512 30 10 HDEE C=CC[C@@H](CO)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1681307993 NNXNUSFUNHACLV-QAPCUYQASA-N 409.552 1.852 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1CCNS(=O)(=O)c1ccccc1 1689850903 JCOKSOKTROHMMR-IRXDYDNUSA-N 417.535 1.609 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C2CCOCC2)CC1 1689913824 VZFGFNAVMIJOGV-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1689933420 NBFJZJJUXQWTDY-UHFFFAOYSA-N 421.549 1.422 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1690080210 KFWRQJTWUWIYGN-VXPUYCOJSA-N 405.462 1.250 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2=CCCCC2)CC1 1690124355 JRIXCNHJMKNDMM-GOSISDBHSA-N 403.552 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(=O)NC)CC1 1690244497 XXEXOTAEXZRBLC-WBVHZDCISA-N 412.498 1.178 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ncnn1CC(F)F 1690287703 QAWGLWLFJCRNOJ-LBPRGKRZSA-N 415.470 1.249 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1690507005 AHHVMDPFGBZJEI-ZDUSSCGKSA-N 407.906 1.845 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1690724427 OLYWBASPBXVOBN-RCCFBDPRSA-N 424.567 1.778 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)NCC(F)(F)F)n1 1693188819 AECVWROQLKRTMP-INIZCTEOSA-N 411.363 1.769 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(N(C)C)CCOCC2)CCOC1 1696021051 ALTKDNLIUJMZSA-LAUBAEHRSA-N 420.558 1.637 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1696929815 IEZQMBSEMNMIAJ-NRFANRHFSA-N 409.494 1.305 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1705516429 BERXUDDSKFLFMO-ROUUACIJSA-N 414.554 1.375 30 10 HDEE C#CCCCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705521886 ONGPSGWDXJEDKG-DYESRHJHSA-N 403.527 1.789 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1705566316 NCSKSTFDSCDNRC-CVEARBPZSA-N 407.540 1.292 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1705605723 CIQDEDVUARJMTF-UHFFFAOYSA-N 403.288 1.682 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705657686 NJBOOUNKKQUYAY-HNNXBMFYSA-N 420.564 1.225 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CCOC2(CCC2)C1 1705907128 APPNURDAHVJGDX-UHFFFAOYSA-N 411.506 1.961 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccco2)C1 1705922153 HIIRBUGYFZTPEG-HNNXBMFYSA-N 409.450 1.539 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)C1 1705925115 LHPOWMZOAYMYMB-LTIDMASMSA-N 410.540 1.387 30 10 HDEE CC(=O)NCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1706063160 BUCCYFYZQVYDIN-KRWDZBQOSA-N 402.886 1.777 30 10 HDEE Cc1nnc(N2CCC=C(Br)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1707893520 FQNXNBHZLJIRCO-PFONDFGASA-N 407.272 1.602 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2cnnn2)C[C@@H]1C 1708234265 KWMMFPNJKPLDKN-HOTGVXAUSA-N 407.482 1.898 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNS(=O)(=O)CC 1708531658 FROYCVGGQKKHGM-WBVHZDCISA-N 423.587 1.298 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1709829053 CFOACPBFFBLWKB-QZTJIDSGSA-N 421.505 1.448 30 10 HDEE CN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCCOC2)C1 1710988801 LOULCWGRLFUIOV-JOCHJYFZSA-N 424.505 1.824 30 10 HDEE CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC(C#N)CC2)cn1 1711006220 HUBYPZGKBDPJRL-UHFFFAOYSA-N 408.510 1.650 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1722346483 XZOJYVSKPORQSK-AWEZNQCLSA-N 415.523 1.316 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1CCNC(=O)c1cc[nH]n1 1722362606 QURPVIULIQYOCH-UHFFFAOYSA-N 407.478 1.642 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCc1c[nH]nc1C)[C@H]1CCS(=O)(=O)C1 1722366584 IABUGGFCPNPHGA-SFHVURJKSA-N 416.551 1.837 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1722373236 GBYAXEAYRPKJMT-KRWDZBQOSA-N 421.501 1.409 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722618235 YWGWQUJETYFDMR-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C(=O)OC)C1 1722624895 KVHIXBMMYOTNFD-CQSZACIVSA-N 417.466 1.598 30 10 HDEE C=CCN(c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1722646419 OXZNBMJMZSMLFP-GOSISDBHSA-N 423.926 1.698 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1722699682 MFSAUUUGTYQISJ-INIZCTEOSA-N 415.469 1.700 30 10 HDEE COc1ccc2c(c1)nc(Cn1c([C@@H]3CCC(=O)N3)nnc1N(C)[C@@H](C)CC#N)n2C 1730207544 AASOKNHXFSJWIW-ZFWWWQNUSA-N 422.493 1.911 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1740553199 ZRGRPCNUILWJMA-OCCSQVGLSA-N 420.315 1.736 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H](C)N1CCOCC1 1740556845 WPMPEBFHZFWDNJ-ZWKOTPCHSA-N 407.522 1.695 30 10 HDEE C#CCN(c1nnc(-c2ccccc2OC)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1740622578 ZNAHURLPSSZLFD-CVEARBPZSA-N 418.519 1.615 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(C)=O)cc1 1740671202 AZDYWAIYSATOHI-QGZVFWFLSA-N 415.519 1.646 30 10 HDEE C=C(Cl)Cn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1740816762 MGMMZFDLSDFNLP-UHFFFAOYSA-N 408.934 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C(C)C)C1 1740993079 SLMRIZSVDMJFES-GOSISDBHSA-N 419.551 1.726 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCSCCCO)n1 1742700436 YYVVJWIYJBYNAT-SFHVURJKSA-N 407.519 1.697 30 10 HDEE CC[C@H](C)c1nnc(N(C)CCn2cccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1743587442 JNZZDZBTFFFSOG-UHHPSXQGSA-N 412.498 1.651 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN1CC=CCC1 1748107687 XODNTBYFFWZRGP-KRWDZBQOSA-N 407.522 1.897 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCS(=O)(=O)CC=C)CC1 1748982774 DFSSJJQPHSPYPY-UHFFFAOYSA-N 403.508 1.203 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1749037075 AWHCJSJSBPZWRJ-QKLQHJQFSA-N 406.552 1.923 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1749226006 MFHCCZUOPRESLQ-AWEZNQCLSA-N 416.448 1.506 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1749513659 WYJALTYCRNHBQZ-INIZCTEOSA-N 418.523 1.229 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCOC[C@@H](C2CCC2)C1 1749734757 MFSHCUNSCIDLHL-ROUUACIJSA-N 424.567 1.636 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C1 1749789936 CVGUHJQURVGJBF-KRWDZBQOSA-N 409.494 1.210 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)NC2CCCCC2)C1 1750379731 GYBQHHXJWWTFOX-QRWLVFNGSA-N 417.489 1.510 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCCS(C)(=O)=O)N(C)C 1751129006 ZERQKDAUAPIPLJ-OAHLLOKOSA-N 404.540 1.638 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1760108765 KQBOLFNKNWPDNO-HNNXBMFYSA-N 412.519 1.698 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1760126660 FNDIVFKQQIPHPY-FHWLQOOXSA-N 419.570 1.695 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1760140945 FCSFIRJVIVTBRP-UWJYYQICSA-N 401.511 1.588 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760186337 MIKJCFLCDBYWRW-IRXDYDNUSA-N 408.568 1.918 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCOC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760189699 LCFSJLDHZZGPGT-SZMVWBNQSA-N 406.552 1.530 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1C[C@@]1(O)CCOC1 1760245359 AJYYLDPKHWIVMX-QFIPXVFZSA-N 407.474 1.731 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCCC1 1760250069 CBTCXZGRILMDIA-UHFFFAOYSA-N 408.506 1.908 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1760358423 VYJNMNDKWJPBFW-SFHVURJKSA-N 413.526 1.800 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCNC(=O)[C@H]1CC 1760360750 LIRDIIYWYUUVDG-BBWFWOEESA-N 407.515 1.310 30 10 HDEE CN(CC1CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1767207613 DMBDBCQKMMJZNZ-HTXNQAPBSA-N 408.466 1.498 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCCNS(C)(=O)=O 1768875424 VOJGLJUFIGPGTI-SFHVURJKSA-N 422.486 1.335 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCNC(C)=O)cc1OC 1770043074 GSZZUVZWSMPZPB-FQEVSTJZSA-N 416.457 1.930 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1771360903 GKXKLAHRYYUZTF-CRAIPNDOSA-N 410.519 1.802 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCSCC3)n2CCNC(=O)c2cc[nH]n2)c1 1771531906 HSEFAURLYSFXHN-UHFFFAOYSA-N 408.491 1.523 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1C 1772564641 ILTGBUNQFYOBDW-GOSISDBHSA-N 419.551 1.898 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@@H](NC(N)=O)C(=O)ON1C(=O)c2ccccc2C1=O 1772794312 HCVBPNMFRCOEKA-CYBMUJFWSA-N 420.422 1.083 30 10 HDEE COCCN1C(=O)COC[C@H]2CN(C(=O)c3cc(CC#N)ccc3Cl)CC[C@@H]21 1848944309 WXOJCLOLZUGWMC-QAPCUYQASA-N 405.882 1.742 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)C[C@@H]3C#N)CC1 1850895392 RCDQKNKPEPFUQF-MRXNPFEDSA-N 406.508 1.844 30 10 HDEE N#C[C@H]1CN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(F)cc2)CCO1 1852596683 LUVDKGRZXXMWBC-KRWDZBQOSA-N 403.435 1.772 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1852776982 UDYRHSKRHRFYIT-QGZVFWFLSA-N 410.927 1.674 30 10 HDEE Cc1ccc(C(N)=NOCCC(=O)N2CCCC[C@@H]2CCN2CCOCC2)n1C 1853428563 RVGIZVIZCIULOM-GOSISDBHSA-N 405.543 1.464 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 1853991497 LQOBUXHHIABHND-GOSISDBHSA-N 421.494 1.885 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)cc1C#N 1854132824 FNKJDPKOGZWZOT-GOSISDBHSA-N 415.515 1.509 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1C 1855647508 WHOIBLQFZVRUQD-KRWDZBQOSA-N 403.504 1.993 30 10 HDEE Cc1nc([C@@H]2CC(F)(F)CN2[C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)no1 1855748734 GBMNVRPVVCSNBZ-GJZGRUSLSA-N 416.388 1.858 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CSc3ccccc3OC)OCC2=O)CC1=O 1856201669 QZWODENAAHAAQQ-HUUCEWRRSA-N 404.488 1.576 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)COc4ccccc4)C(=O)C3)C2)s1 1856275578 NDTWKVCXIDLWQV-KRWDZBQOSA-N 424.526 1.944 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN([C@H]4CCCCC4=O)C3)CC2=O)cc1 1856560499 WWHKVBLRKTZDJS-PMACEKPBSA-N 408.502 1.358 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)Cc2cn3ccsc3n2)C1=O 1856723805 XBQTXLWLSOJGHS-HOTGVXAUSA-N 415.519 1.175 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC[C@H]1CCCO1 1856897372 XMJSBWHYTVVIBG-MRXNPFEDSA-N 419.503 1.986 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)[C@H]4CCCOC4)C3=O)CC2)c1 1857015269 MHDYBFVFZINJMR-RBUKOAKNSA-N 412.490 1.598 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4cnccn4)C3=O)CC2)c1 1857016753 XIOAMWXZDOWJGK-GOSISDBHSA-N 406.446 1.275 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857076993 TVVKBBDSEXUXGG-QFBILLFUSA-N 417.481 1.688 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)COC1(C)C 1857305030 BARURBRJCBGGIA-CVEARBPZSA-N 420.510 1.721 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCN(C)CC1 1870537562 GTLSWFFCJDIHQJ-UHFFFAOYSA-N 400.479 1.070 30 10 HDEE C#CCOc1cn(C[C@H](C)O)c(CNc2cc(OC)c(OC)c(OC)c2)cc1=O 1871008040 DITRAGVHOIGHPQ-AWEZNQCLSA-N 402.447 1.879 30 10 HDEE Cc1nc(C2=C(N)N(C[C@@H]3COc4ccccc4O3)CC2=O)sc1C(=O)N(C)C 1872724444 GMQGXMJQPKAPLQ-GFCCVEGCSA-N 414.487 1.505 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1cc(OC)ccc1OC 1874498676 CFTSFAUGHGDUCQ-KEBDBYFISA-N 407.496 1.942 30 10 HDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCc3cnc[nH]3)ncnc21 1875230407 YHTCASWGBLGHCA-UHFFFAOYSA-N 409.494 1.840 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1 1889529037 DCMXSIVNZBQBCO-UHFFFAOYSA-N 409.527 1.246 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CC3(CNC(=O)O3)C2)[C@@H]1c1ccc(C#N)cc1 1890716520 HWNSEWZCBLSKJB-DLBZAZTESA-N 414.487 1.273 30 10 HDEE CN(CC1CCN(C(=O)c2nccc(N3CCOCC3)n2)CC1)c1ncccc1C#N 1891065748 INKRSLKWEFIEAE-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1891300843 TWIXGWWVMKOUSK-UHFFFAOYSA-N 400.460 1.683 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N(C)C3CN(c4nccnc4C#N)C3)nc12 1891805525 URJQTFRWHQVVST-UHFFFAOYSA-N 423.502 1.750 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1984820910 YKZYBLQVCMYLDW-INIZCTEOSA-N 418.446 1.560 30 10 HDEE CO[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)c1ccc(C#N)s1 2118164469 YVNDTWXOELNKIJ-OLZOCXBDSA-N 401.510 1.922 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(N)cc1C#N)NC(=O)OC(C)(C)C 2162924081 DQYXYAGXQRSOGZ-RPHGYIDUSA-N 416.525 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1CNS(=O)(=O)c1ccc(C#N)nc1 2174782241 OLOFSACBYPFGMW-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE COC(=O)CCS(=O)(=O)N[C@@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2186625869 DCJITDLWSSRBPV-NSHDSACASA-N 403.331 1.591 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(CC#N)cc2)s[nH]1 2187512577 JYLVAVQNYCCXFK-UHFFFAOYSA-N 409.493 1.852 30 10 HDEE CC1(C)OB(c2ccc(CN3CCSC[C@H]3S(C)(=O)=O)s2)OC1(C)C 2227154128 QNGZOWQNYINZFA-CQSZACIVSA-N 403.400 1.967 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386828 IKPUOOCJXBWTNF-HAQNSBGRSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCO1 2247830531 ZYTNBLKWXLDRBY-LBPRGKRZSA-N 422.291 1.380 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[S@](C)=O 2267376305 TZGZFMGEAQSQDW-BUBHHJDNSA-N 407.388 1.483 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267705441 YCQNCFOTLNYATA-JNDILOIQSA-N 407.388 1.401 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C(C)(C)C(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282302755 YSZCWZMBGQKRIK-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CN([C@@H]1CCNC1=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282305256 WGMWIYIFUCGDDC-SNVBAGLBSA-N 420.749 1.210 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@]1(=O)CC[C@@H](N)C1 2282326520 UILPUNWMNMVNDJ-NDHGSNPTSA-N 420.387 1.243 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNC[C@H](C)C1 2282328573 ZJMHJLZPUKVSRP-LBPRGKRZSA-N 400.375 1.586 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@@H]2CCC[C@@H]2O)OC1(C)C 2282334445 BHWAJXADGONVSN-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC1(C)CNCCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282344388 KSNIWROPUSCQCP-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CN1CCCC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282492975 RCZZZQWKOMYLLU-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N(CCS(C)(=O)=O)C2CC2)OC1(C)C 2282628675 PBNHHSJCPFADNS-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2CCC[C@@H](N)C2)OC1(C)C 2282837104 RYUNGBGUPMHEOE-VXGBXAGGSA-N 401.363 1.132 30 10 HDEE CC1(C)C[C@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282854552 SZZQZWBWJWAEFC-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE C[C@H](CCCC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284413537 LOQOJHWMYYRWTH-LLVKDONJSA-N 403.331 1.969 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCCN1 2286900879 HMAJNWXBRBREAE-GXTWGEPZSA-N 400.375 1.607 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@@H]3N)c(Cl)c2)OC1(C)C 2287580454 RXIBRGWWJKTOEB-RISCZKNCSA-N 400.737 1.655 30 10 HDEE NC(=O)c1ccccc1N=C1NC(=O)C(=C2C(=O)N(CC(=O)O)c3ccccc32)S1 2314557195 RMOWTRNWYBUGAH-UHFFFAOYSA-N 422.422 1.479 30 10 HDEE CC(=NO)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 2329942991 VJXDKMNHNQPNLZ-UHFFFAOYSA-N 407.404 1.985 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccccn1 2330749881 WVJVABZNNARHEN-UHFFFAOYSA-N 416.492 1.379 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 2365200875 CFTJLQFABHKHEN-HRLGVUPISA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CC1 2365206336 GMYJFPKQSBOSCY-HOTGVXAUSA-N 402.557 1.538 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365241313 OLNKYLJGEWXLLW-KGLIPLIRSA-N 405.513 1.834 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](CCNC(=O)OC(C)(C)C)OC 2367794554 ICZBIIGZLJJGMS-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367810946 CNSNFVKTQGRACT-XHSDSOJGSA-N 400.541 1.306 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367832039 WRJSVANVYQOTRX-BZUAXINKSA-N 402.557 1.457 30 10 HDEE CN(Cc1nc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CC[C@H](S(C)(=O)=O)C1 2368847108 MEMJRPSISADLBM-OLZOCXBDSA-N 400.375 1.840 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2370665110 HCRJSZCZSFRXNK-QCUYGVNKSA-N 400.541 1.291 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@H](O)[C@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2381076664 BWIRLFLGIODKCV-OWCLPIDISA-N 400.456 1.935 30 10 HDEE O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc2c(c1)OCO2)[C@@H]1CCCO1 13557437 AGQLBYKLDDMWLY-WPYDIFCHSA-N 424.500 1.191 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(OC)c3ccccc23)CC1 32409715 UCEYXZARMQYOMI-UHFFFAOYSA-N 403.504 1.457 30 10 HDEE C/C=C1\C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 33954793 ZOIAVVNLMDKOIV-LGBREKNASA-N 407.463 1.580 30 10 HDEE biogenic C[C@H](Oc1ccccc1C#N)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 53991805 PHWJQHONSDBGMQ-HNNXBMFYSA-N 406.442 1.214 30 10 HDEE CCCC[C@@H](C)[C@@H](O)[C@@H](C=O)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC)C(C)C 96030560 YGFZCBTYYSYELF-UJMXGEILSA-N 413.603 1.974 30 10 HDEE in-vitro C=CCn1c(=O)[nH]c(O)c(C2=NN(C(C)=O)[C@@H](c3ccc(OC)cc3OC)C2)c1=O 101456421 UDTLMTZPRGAFGK-OAHLLOKOSA-N 414.418 1.143 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 238968049 ZDNKFAMVHUWMIG-MQMHXKEQSA-N 403.420 1.925 30 10 HDEE Cc1ccc(NC(=O)Cn2c(=CC#N)sc(=C3C(=O)Nc4ccccc43)c2=O)cc1 254851142 GYIXTBVJQOFIEN-UHFFFAOYSA-N 416.462 1.312 30 10 HDEE C[C@H](C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21)n1cnc(C#N)n1 409736100 HIEBABBAGDLUHO-CYBMUJFWSA-N 400.464 1.085 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 428251509 VNSPWGCEATUFFU-UHFFFAOYSA-N 406.895 1.992 30 10 HDEE C[C@@H]1C[C@H]1N1C[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CC1=O 429469990 LXNFOFUQFBYDMK-WRWLIDTKSA-N 418.501 1.947 30 10 HDEE COc1cc(CNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)ccc1C#N 460602128 WHRQDRKWJZKTET-UHFFFAOYSA-N 401.444 1.364 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 460801667 IRQDZNQZXCYATG-WMLDXEAASA-N 421.523 1.748 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCOC)Cc1ccnn1C 460955886 ZBHGXPWUECQMNM-HNNXBMFYSA-N 408.528 1.143 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCNC(=O)c2c(F)cccc2F)cn1 462095823 AIYXXRWKZBKZNV-UHFFFAOYSA-N 411.372 1.969 30 10 HDEE COc1cc(CNC(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)ccc1C#N 462472813 JJVTVAFCVBWCHA-MRXNPFEDSA-N 423.433 1.633 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462576978 WBRGZIYCMOUFRB-HXUWFJFHSA-N 406.458 1.935 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)CCO)cc2)ccc1Cl 480673370 QKPLRLPRDHDXJL-UHFFFAOYSA-N 414.892 1.456 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2S(=O)(=O)c2ccc(Cl)c(C#N)c2)cn1 486657665 YYHBVAVYSJYOPL-IVCQMTBJSA-N 412.924 1.922 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccc(C)c1 508824936 CXVHSULGJLFIHD-KRWDZBQOSA-N 405.524 1.742 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](c2ccccc2)C1 508883657 CBOOYBBHCRGWSO-QZTJIDSGSA-N 417.535 1.791 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)C(=O)C1 508951946 OLVDEXNDBGYVDQ-UHFFFAOYSA-N 415.523 1.235 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2c2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 508953582 VEADUWLRYMITHH-ROUUACIJSA-N 417.535 1.791 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(N(C)S(=O)(=O)CC)CC3)cc2C1=O 517513583 RBQSFCLGLXAXGT-UHFFFAOYSA-N 419.503 1.355 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)cc1 518431384 PYCARFQQKJYLFR-QGZVFWFLSA-N 418.519 1.353 30 10 HDEE COCCN(Cc1cn2ccccc2c1C#N)c1c(O)nc(=O)n(CC(C)C)c1N 533036809 QYRLYVWAIFLSPK-UHFFFAOYSA-N 410.478 1.964 30 10 HDEE C[C@H]1CN(C)C[C@@H](C)N1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 534486519 DSNYCHXGDMWUSM-IYBDPMFKSA-N 404.536 1.510 30 10 HDEE COC(=O)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccc(O)c1 538311964 SIONFGDUURJMFF-SFHVURJKSA-N 402.428 1.209 30 10 HDEE COc1ccnc(N2CCN(C(=O)[C@H]3CCN(c4ccc(C#N)cc4F)C3)CC2)n1 552860898 IETBOWRGQYQKLK-INIZCTEOSA-N 410.453 1.671 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 553905684 NTGRRJYROCLPJE-JKSUJKDBSA-N 408.499 1.454 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 555252360 LBMPHBWVMQOEJY-KGLIPLIRSA-N 420.530 1.630 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1 563852344 MVGSIAGREWXMQJ-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nccnc2C(=O)Nc2ccc(Cl)cc2)CC1 575787643 YRIHUPVDWJGOJO-UHFFFAOYSA-N 412.837 1.580 30 10 HDEE N#Cc1nccnc1N1CCC(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 585226875 DGIMCBMAMISWMV-UHFFFAOYSA-N 402.436 1.451 30 10 HDEE C=C(C)Cn1c(Cc2ccccc2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670195315 UKEJAGPVRRJFLL-UHFFFAOYSA-N 418.567 1.682 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 711725773 KTIOCAGXNWAPDX-INIZCTEOSA-N 403.342 1.794 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)Nc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 729332484 ZLVKCKVGODRQDE-GOSISDBHSA-N 403.504 1.579 30 10 HDEE C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1)N1CCOCC1 732707232 VWNVWPMSSSGOSS-OXJNMPFZSA-N 411.506 1.217 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 733150886 ZSJLDAFDTFOXCX-QGZVFWFLSA-N 408.543 1.210 30 10 HDEE COc1ccc(-n2nnc(C(=O)NS(=O)(=O)c3cc(C#N)ccc3C)c2C)cc1 734292473 QCOFPSXYGPEYDU-UHFFFAOYSA-N 411.443 1.883 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)c2cc(OC)c(OC)c(OC)c2)cc1 741714379 CWTDUHLJLZCGOP-UHFFFAOYSA-N 418.471 1.901 30 10 HDEE C[C@H](Oc1cccc(Br)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 742071634 GQKVSCIXJMCQRG-ISOHDOPZSA-N 408.252 1.859 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C 753831608 UCZZBSOPZPGGGY-ZDUSSCGKSA-N 418.496 1.241 30 10 HDEE C[C@@H](C#N)CN(CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1)C1CC1 754374029 SSXRGQVDCRHICX-MXHVWWQHSA-N 416.547 1.755 30 10 HDEE CCc1c(C(=O)O[C@@H](C)C#CCN(CC)CC)cnc2c1c(=O)n(C)c(=O)n2C 754555271 WDGDTPDRFFWSEF-AWEZNQCLSA-N 400.479 1.085 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(-c3ccc(F)cc3)c2=O)c1 763436782 MKTXZBLYRKMDFV-UHFFFAOYSA-N 422.485 1.502 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)c1cnn2cc(Br)cnc12 781602390 KIUKHTWENCNVDG-UHFFFAOYSA-N 424.211 1.621 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NS(=O)(=O)Cc2cccc(C#N)c2)C1 783084585 OYSLEADSEJTTNM-UHFFFAOYSA-N 423.491 1.530 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC(Oc3cnccn3)CC2)C1 787312874 AZVSEQVZJCEOOZ-HOCLYGCPSA-N 416.482 1.788 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)n1 789324577 PERODMKRLFHEBN-QGZVFWFLSA-N 416.503 1.618 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)/C=C\c2cc3cnn(C(C)C)c3[nH]c2=O)n1 790104530 FBDHVDJMHACLNZ-SREVYHEPSA-N 422.489 1.824 30 10 HDEE N#Cc1ccc(COC(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)cc1F 791416420 JGVVZXNPXAWAMU-INIZCTEOSA-N 412.826 1.733 30 10 HDEE CC(C)(C)OC(=O)c1cnc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)cn1 802149258 YZLAVIROPSINSM-UHFFFAOYSA-N 408.480 1.966 30 10 HDEE C#CCN(CC#CC)C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 813026284 RQBYIUPQUWPVGI-RPEUOYKBSA-N 412.489 1.951 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](c2cnn(C)c2)C1 849578413 MCPUTMQEHNGCGJ-LEWJYISDSA-N 421.549 1.849 30 10 HDEE CCOC(=O)c1sc(NC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)c(C#N)c1C 1124068323 ITBVFXFVZDJOJC-UHFFFAOYSA-N 422.507 1.853 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)nn1 1124284736 PPHGWCCCSDNRCY-UHFFFAOYSA-N 421.479 1.136 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)c1 1125187613 QXFMZSHWXMNNQK-ZWKOTPCHSA-N 415.490 1.995 30 10 HDEE Cc1nsc(N(C)C(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C#N 1129711725 WPUAGTFQPIYFMJ-UHFFFAOYSA-N 409.449 1.515 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 1136609870 DMGFNDVDGJLYNE-UHFFFAOYSA-N 405.296 1.701 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)ccc2c1=O 1151443249 DQQGVIMNEVVXRU-VXKZXEGRSA-N 403.529 1.997 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(Cl)c2Cl)CC1 1152967851 SDXZIRGYOXSQIE-LBPRGKRZSA-N 420.318 1.373 30 10 HDEE C#CC[C@@]1(C(=O)NCc2ccc(S(C)(=O)=O)nc2)CCCN1C(=O)OC(C)(C)C 1154913299 MOXPIYLGCUEZNC-FQEVSTJZSA-N 421.519 1.894 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1 1166752378 SMSLMVNNXXBGDR-CHWSQXEVSA-N 409.936 1.515 30 10 HDEE C=CCN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)[C@@H]1CCS(=O)(=O)C1 1167733772 CXIFJYKBQHDGDR-MRXNPFEDSA-N 405.520 1.583 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757319 OATRIVNMKHBQOT-KXBFYZLASA-N 400.460 1.064 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)[C@@H]1CCCO1 1189432821 YPNIWZGIXZMZLR-HOCLYGCPSA-N 418.309 1.933 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 1192680024 HLHSRBGRVMTEKX-ZFWWWQNUSA-N 424.489 1.978 30 10 HDEE C#CCN(C(=O)Nc1cccc(OCCOCCOC)c1)[C@@H]1CCS(=O)(=O)C1 1209794154 OWVMHTJADYMKFF-QGZVFWFLSA-N 410.492 1.383 30 10 HDEE CCN(CCC#N)C(=O)CNCCC1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1267911095 DFHJZSUTKXHPLP-IYWGDAJJSA-N 402.539 1.390 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@@]1(OCC)CCOC1 1286359774 JNKONQCQOUZBHP-OXQOHEQNSA-N 416.482 1.613 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)N2CCCCC2)CC1 1286470579 AJERJXVUMLCVOZ-UHFFFAOYSA-N 415.586 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCc2cccc(C(=O)N(C)C)c2)CC1 1286487663 HIFQPXVSMGFVTC-UHFFFAOYSA-N 422.533 1.497 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286780380 FBDNIJPTIQPBSG-MRXNPFEDSA-N 418.542 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N(C)C1CCC2(CC1)OCCO2 1286822345 IRVNABGAVYBEGL-UHFFFAOYSA-N 424.567 1.953 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286951689 ZCULUUCOYHBAOY-NRFANRHFSA-N 407.478 1.202 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@](C)(O)c1ccccc1 1288099456 BWLUGUPUNPXGGB-VQTJNVASSA-N 400.458 1.766 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ncnn1C(C)(C)C 1290864790 AAVHZDFZPYXKML-UHFFFAOYSA-N 406.498 1.575 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@H](C)O1 1291279081 IDYRPFMDJDMSKN-GJZGRUSLSA-N 419.507 1.387 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1300308512 POIJELAWVWQDKL-CVEARBPZSA-N 421.567 1.287 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2CCc2n[nH]c(C)n2)c1 1300337352 ZRJPLPUNJAUUKZ-UHFFFAOYSA-N 422.493 1.540 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1C(C)(C)C 1300642829 VDGLYTIMQFHKCA-RDJZCZTQSA-N 401.515 1.856 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)[C@H](C)CCC 1300813441 KIRVQXLBKPOHGS-VGOFRKELSA-N 414.554 1.945 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2nccs2)C1 1300952350 SLMJDKDDLYASLQ-KBPBESRZSA-N 409.537 1.791 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cc(C)nn2C)CC1 1301125402 OCZVGVARKFPOLB-INIZCTEOSA-N 404.540 1.673 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1301422319 GYROINXYZNPPIJ-IAGOWNOFSA-N 413.526 1.951 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301438310 BXZJDOXWNRSYPU-VXKWHMMOSA-N 424.505 1.321 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCC[C@H](C(N)=O)C1 1301481770 PJOPHQOUGVSFCO-ROUUACIJSA-N 410.522 1.824 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301515182 QMZZILPFCXDFFX-INIZCTEOSA-N 412.494 1.135 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCC[C@H](O)C2)C1 1301535734 NOZGQMFPELPISX-OKZBNKHCSA-N 403.527 1.847 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCCOCC1 1301586475 MNFDQYBSRDFPHT-UHFFFAOYSA-N 411.553 1.461 30 10 HDEE N#CCCN1CCN(C(=O)c2cc(I)cc([N+](=O)[O-])c2)CC1 1302596081 DNIYINYUHSHOCE-UHFFFAOYSA-N 414.203 1.871 30 10 HDEE CC1(C)OB(C2CCN(C(=O)COCC(=O)NCc3cccnc3)CC2)OC1(C)C 1303201324 VYGAMKMUFZJLEW-UHFFFAOYSA-N 417.315 1.799 30 10 HDEE C[C@H](CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)N1CCCCC1 1303665762 FSJXKVOLOBKURJ-QZTJIDSGSA-N 415.542 1.394 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccncc3)C[C@@H]2C)c1 1303791704 YVRNEDAEVHFZSW-INIZCTEOSA-N 400.504 1.897 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(Cc3c(C#N)cccc3[N+](=O)[O-])CC2)cs1 1307739307 XYLXZIGLQMZDBJ-UHFFFAOYSA-N 407.477 1.738 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H](CO)C[C@H](O)C(C)(C)C)cc1 1310131573 PKYXQPUDHZUGEZ-RDJZCZTQSA-N 413.540 1.773 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cccc(S(=O)(=O)NC)c1 1311857516 ANPBLMDPTGRIRL-AWEZNQCLSA-N 409.508 1.642 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1314345068 SPGDDRQAOOZGDK-KSSFIOAISA-N 416.448 1.613 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1314642667 HJOJPFKVDBSMGK-LJQANCHMSA-N 423.521 1.064 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC[C@@H]1NC(=O)NC1=O)[C@@H]1CCOC1 1314681846 HIHLQHWKIQOZPR-CVEARBPZSA-N 409.450 1.030 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)COC)CC1 1315742922 APJHOCIJUSLPPG-INIZCTEOSA-N 412.494 1.394 30 10 HDEE COCCOCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C#N)C1 1316257176 LBNDNJRNHXIDNK-MRXNPFEDSA-N 415.450 1.456 30 10 HDEE CSC1(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1316405621 FKXHWVNBQHGJNJ-AWEZNQCLSA-N 401.496 1.376 30 10 HDEE CN1[C@H]2CCC[C@H]1CC(NC(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1318864288 AGDWDFWSZIWOJX-HOTGVXAUSA-N 404.536 1.637 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Br)C1 1320188502 VBUMTKVFELCYLO-LLVKDONJSA-N 403.298 1.774 30 10 HDEE N#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1321606715 PFIGOMUXWGXTMN-KBAYOESNSA-N 419.503 1.637 30 10 HDEE C=CCn1c(-c2ccc(S(C)(=O)=O)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1340263459 CZTXOEJQIMOWIW-QGZVFWFLSA-N 412.519 1.711 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(CCN(C)C)Cc1ccc(C#N)cc1 1355283812 UCUFKMXRFRZDAB-UHFFFAOYSA-N 415.538 1.258 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1358952591 QUHCZXFCQDWJFZ-QRWLVFNGSA-N 415.519 1.677 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1359024769 VIVALTHOCLEUEE-SFHVURJKSA-N 409.490 1.202 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1359151307 QYDREVSMXQNZQG-CYBMUJFWSA-N 408.890 1.445 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCN2CCC(O)CC2)CC1 1359181421 RNVSGKPPWIHMNQ-UHFFFAOYSA-N 416.570 1.650 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](CC)O[C@H](C)C1 1359228068 SPUZTHMVTQGUCF-ZACQAIPSSA-N 412.556 1.777 30 10 HDEE C=CCn1c(N2CC[C@H](CN3CCOCC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1359290311 VCZIDOPEEWCANC-NQIIRXRSSA-N 405.543 1.663 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CCOC)CC1 1359295939 RTUXEMXVKYNMEJ-UHFFFAOYSA-N 419.917 1.064 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1359301176 ULVWWQSNSMBRCJ-KBPBESRZSA-N 416.448 1.157 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1359330662 YPRCZZLXLYJOOW-DOTOQJQBSA-N 405.524 1.802 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C)CC1 1359334907 UMYPELGXWUNINU-MRXNPFEDSA-N 409.556 1.628 30 10 HDEE C=CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1359340530 PVSRPUIFUQSKOP-UHFFFAOYSA-N 424.596 1.958 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1359630750 DWJIEUSKXZMEBP-SFHVURJKSA-N 407.478 1.708 30 10 HDEE CC(C)CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1359979501 IIGVAISBVMUBOR-VXPUYCOJSA-N 409.494 1.883 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)c(C#N)cn1CC 1436863451 SHVLLUOEAHYIRA-SJORKVTESA-N 412.494 1.964 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)C1=O 1437213498 SJOKRJCAMPJNTK-UHFFFAOYSA-N 403.345 1.725 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1440786972 RBYSRYDAKXKSEJ-MRXNPFEDSA-N 409.531 1.244 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c1 1444420672 YZTXLSXCVGCVSC-INIZCTEOSA-N 415.515 1.978 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@]4(CC(C(=O)OC)=NO4)C3)n[nH]2)c1C 1454917321 BPBIUYYUFOOPCI-HXUWFJFHSA-N 412.450 1.610 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#C[C@H]1CCCCO1 1457030158 MSFMWLBHNDEAPF-MRXNPFEDSA-N 422.503 1.018 30 10 HDEE CC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1460552089 GWXIJAORYOPSSZ-LEWJYISDSA-N 415.513 1.525 30 10 HDEE C[C@H](C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1463912691 GTYOJOBWVAYAHP-RDJZCZTQSA-N 417.510 1.466 30 10 HDEE C=CCOC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1467516709 VKOTUJURCHFRBH-KXSVDRQTSA-N 421.494 1.634 30 10 HDEE C[C@@]1(CC(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)N1 1467700453 RAVIQMZHVHREQQ-AEFFLSMTSA-N 410.927 1.521 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCc3cn(C4CC4)c(=O)nc3O)CC2)c1 1471197828 MJWBRKTUPYXTDJ-UHFFFAOYSA-N 409.446 1.908 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)OC)cc1 1471888451 ZUAXEWBWWICFKV-GOSISDBHSA-N 420.462 1.804 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CCOCC1 1471930625 IIBCZDSKPKSXFH-KRWDZBQOSA-N 406.504 1.446 30 10 HDEE COc1c(F)cc(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1S(N)(=O)=O 1472595683 ZEIZCSREGCOHCE-MRXNPFEDSA-N 421.450 1.088 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)C1 1478621804 BJRUXRYXVRWVEC-MBSDFSHPSA-N 423.517 1.808 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC[C@H]2CCCO2)n1 1492519583 RAKFAKNPJICTGH-QZTJIDSGSA-N 412.494 1.963 30 10 HDEE Cc1ccccc1[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1492574324 PXUAGOIEEORAKT-GEXZYOHASA-N 422.489 1.999 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CC(C)(C)O)CCN2C1=O 1502213471 DWVLGDSWUQVOPZ-INIZCTEOSA-N 423.477 1.060 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)C1 1505314679 IMSQKKJVXYGFIZ-HZMBPMFUSA-N 406.409 1.967 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1507622915 MWSNRPZCEQLLSY-ZBFHGGJFSA-N 424.958 1.968 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1-n1ccnc1 1507702084 FQZGBWCIKFYWSV-UHFFFAOYSA-N 421.505 1.736 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1507732654 IXDSBBDSQANYSJ-OALUTQOASA-N 404.559 1.069 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1507844423 JQPMGQBEDNYFIP-XUVXKRRUSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn(CC(C)C)c1C 1507968014 NDLAHPKGGQCNLY-AWEZNQCLSA-N 409.560 1.720 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(=O)CC)C1 1508085335 UFSMKOXIFSHQAV-QGZVFWFLSA-N 411.510 1.061 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(CCC#N)CC1CC1 1510300803 KDDJDUOHWIYROF-MRXNPFEDSA-N 413.526 1.445 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1520702471 XDKOQDDMFJOFPP-GOSISDBHSA-N 420.311 1.480 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CC(C)(C)C#N)CC2)cc1 1527893259 ZUJURSCDBHAMRO-UHFFFAOYSA-N 408.524 1.203 30 10 HDEE C#CC1(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CCCC1 1533455777 GEMWMNCPNIAECO-UHFFFAOYSA-N 403.504 1.215 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnccc1OC)[C@@H]1CCS(=O)(=O)C1 1539202409 IAZZNFVQHSTCIA-DOTOQJQBSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1noc2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1539202811 LLTYTEHTQDLNJR-OAHLLOKOSA-N 417.535 1.943 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1539224857 JDQHJKDHAYJOLR-DLBZAZTESA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1539245186 ATNSQLMYMKQWMA-LJQANCHMSA-N 412.515 1.994 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1539363113 MFVZEMPRPDTKGO-UHFFFAOYSA-N 409.469 1.636 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC1CCCCC1 1539392191 NEVZRQLOVKMXNK-UHFFFAOYSA-N 416.526 1.049 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2Cc2cc(C)nn2C)CC1 1539475668 LPZZLIJFWIHNGR-UHFFFAOYSA-N 420.521 1.340 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)C(C)=O)CC1 1539744880 ZDMOEYVTGPKIIC-KRWDZBQOSA-N 404.515 1.269 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1540049113 HBAVDMSUSHTOIC-LJQANCHMSA-N 412.556 1.766 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)c1cccc(O)c1)C1CC1 1540109181 WZSJAFUPQUTXQA-SFHVURJKSA-N 424.505 1.910 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCSC2(CCOCC2)C1 1540870931 ABYBSFYDQPJJIZ-HNNXBMFYSA-N 407.540 1.187 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](C)[C@H](OC)C1 1540872902 FKENIHXKWTYJAV-FUHWJXTLSA-N 423.521 1.680 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCC(=O)N2)cc1 1543335541 KYCIZSHBXPOJIJ-XQEBGNCTSA-N 406.508 1.887 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CCNC3=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1544743508 WEKNUMCOATZOHO-QGZVFWFLSA-N 413.327 1.924 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(C#N)o1 1545842153 NPZPQBKUVSDSCC-UHFFFAOYSA-N 422.511 1.190 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1546976845 NSXNKOGVPYLEDE-KRWDZBQOSA-N 424.571 1.931 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1=O 1554354830 RKAWSQOEVKJAEZ-QFIPXVFZSA-N 423.521 1.646 30 10 HDEE CO[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cnn(C)c2)CCOC1 1554714125 AOXTWSIUBRIMQA-NRFANRHFSA-N 407.478 1.992 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1555466726 WXKNJFQGWDYIOZ-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC1 1555557820 DLMNQTVCYFFXEZ-QGZVFWFLSA-N 404.515 1.013 30 10 HDEE C[S@@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)CC1 1555820821 GKVMEWKRQLFGBJ-JYCIKRDWSA-N 421.473 1.787 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)n(C)n1)C(=O)OC 1556375837 UFIUKMFAWFPPNO-HNNXBMFYSA-N 403.435 1.578 30 10 HDEE CC1(C)[C@@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1N1CCOCC1 1557316786 PXVMVDSKLJXGCA-ZWKOTPCHSA-N 420.535 1.108 30 10 HDEE C#CCN(CC(=O)NCCOCCN(C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1557547959 KDAWGPWWXBCKNM-UHFFFAOYSA-N 413.515 1.856 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC2(CC1)CC(=O)C=CO2 1558606089 LQDLATIRRFLMEH-AWEZNQCLSA-N 403.460 1.089 30 10 HDEE C#CCC1(NS(=O)(=O)c2c(C)nn3cc(Br)cnc23)CCOCC1 1561938479 SFUFVCAAHLRTJH-UHFFFAOYSA-N 413.297 1.651 30 10 HDEE Cn1cc(CNC(=O)N2CCN(c3nncn3C)CC2)c(-c2ccc(C#N)cc2)n1 1564544477 LRCWQVRFIUUYJN-UHFFFAOYSA-N 405.466 1.119 30 10 HDEE C=CCC1(O)CCN(C(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1565002081 GUEURPBSKJJQTB-INIZCTEOSA-N 402.561 1.054 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC4(CC3)CNC(=O)C4)C2)C1 1566170227 OMRSYGZOLMGNKA-JXORXQGFSA-N 416.522 1.902 30 10 HDEE C#CCN(CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1)C(=O)OC(C)(C)C 1583559447 ZPNGFFAKZBEVNN-HZPDHXFCSA-N 414.524 1.051 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1cccc(C(C)=O)c1 1584109097 WNDVQCQFUANTJF-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1587645752 NHFVPWAFOYODNE-AWEZNQCLSA-N 409.943 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nnn(C)n1 1588214038 GCWUQRBSPFOXGB-UHFFFAOYSA-N 412.461 1.166 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc2cccc(F)c2[nH]1 1588436906 FSWHXSNSTBMSEI-NSHDSACASA-N 401.423 1.557 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H]1CCOC1 1589027594 PGYFQOVVNDJRGG-INIZCTEOSA-N 424.534 1.760 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C)n2)n1C[C@@]1(O)CCS(=O)(=O)C1 1595204340 AAEIGXAUZLHOFV-IBGZPJMESA-N 403.508 1.377 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1595789153 NZTFMLBQBBPFFO-QGZVFWFLSA-N 409.556 1.057 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@@H](CNS(C)(=O)=O)C1 1597204585 YYTGCKXVUBAWSR-GJZGRUSLSA-N 416.544 1.361 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1598367723 FCBHOWNCDMOLJU-UHFFFAOYSA-N 406.533 1.780 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@@H](CO)[C@@H]3C)nnc12 1611231705 UIJSCIVIYODJOB-KBPBESRZSA-N 413.503 1.552 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)CCOCC1 1616474378 ADHXVCRJAKFOST-QGZVFWFLSA-N 420.941 1.967 30 10 HDEE C#CCN(CC(=O)NCc1cccc(C(=O)N2CCOCC2)c1)C(=O)OC(C)(C)C 1617274191 GKINDNNARFNREV-UHFFFAOYSA-N 415.490 1.646 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)OC(C)C)s1 1618335857 IBHALGDCLZUQRP-AWEZNQCLSA-N 400.522 1.698 30 10 HDEE C=CCC1(O)CCN([C@H](C)C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)CC1 1620594227 KSGXOXLYDLDRJK-CQSZACIVSA-N 404.463 1.990 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 1624810396 CKNHGFFVEZSHFE-JQHSSLGASA-N 418.490 1.902 30 10 HDEE C#CCCOc1ccc(C(=O)N2[C@H](C)SC[C@@H]2C(=O)NCCC(=O)OC)cc1 1625964097 JDEUTUORZGKTFX-WMLDXEAASA-N 404.488 1.672 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC(C)(C)[C@@H]2COCC23OCCO3)c1 1629675412 UMRLFVXAKLVZHV-KRWDZBQOSA-N 424.519 1.296 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1 1634065650 FZVHICVSNBKDDW-UHFFFAOYSA-N 405.430 1.046 30 10 HDEE C#CCCN1CCC(NC(=O)[C@]2(C)C[C@@H](O)CN2C(=O)OCc2ccccc2)CC1 1634356121 UUTUEVLSNOYWJD-OFNKIYASSA-N 413.518 1.752 30 10 HDEE C[C@H]1CS(=O)(=O)CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1634461201 WSHYJZPUDHAFDR-OOHWJJMZSA-N 406.508 1.862 30 10 HDEE N#Cc1cn(CC(=O)N2CCCC[C@H]2c2ncc(-c3ccccc3)[nH]2)c(=O)nc1O 1638736471 IRJXSGSOXPTZBC-KRWDZBQOSA-N 404.430 1.964 30 10 HDEE Cn1[nH]c([C@H]2CCCN2C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)nc1=N 1639261764 BVMAFCCJNBHUAB-SWLSCSKDSA-N 413.869 1.469 30 10 HDEE Cn1ncc(Br)c1CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1639974027 UAZIMXRINCCWBU-OAHLLOKOSA-N 416.279 1.514 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc2OC)C1 1640069699 CUCYQONJWRUYJO-UHFFFAOYSA-N 412.467 1.267 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(CNC(=O)c3cnn(C)c3)CC2)c1 1641848390 ZXYVWXBTXWMQSA-UHFFFAOYSA-N 422.489 1.192 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C)c2ccc(S(=O)(=O)NC)cc2)c1 1642547685 ABOGBCPJTKTSQG-CQSZACIVSA-N 414.487 1.575 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1643402809 AVLDPODTPHPYLU-ZDUSSCGKSA-N 406.512 1.394 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H](C(=O)OCC)c2cccnc2)c1 1645220237 HGTIXPJAARJIRN-SFHVURJKSA-N 417.487 1.922 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H](c2cccc([N+](=O)[O-])c2F)C(F)(F)F)CC1 1653900076 NNGNSIALSWXRQX-MRXNPFEDSA-N 402.348 1.704 30 10 HDEE N#C[C@H]1C(CN2CCN(CC(F)(F)CO)CC2)=CC(=O)n2c1nc1ccccc12 1654072655 ZQSHOMRFQKFSLY-HNNXBMFYSA-N 401.417 1.469 30 10 HDEE Cc1nn(C)c(C)c1-c1cc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)n[nH]1 1654811645 LKWHWGVEVHQVPT-UHFFFAOYSA-N 422.445 1.945 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654889079 PFBXLDWPUVQVQY-VCBZYWHSSA-N 418.544 1.890 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2CCO[C@@](C)(C#N)C2)sc(C(=O)N(C)C)c1C 1655732842 HNUOTMQMLUEKDQ-IBGZPJMESA-N 422.507 1.488 30 10 HDEE N#Cc1c(N)sc2c1CCN(CC(=O)NCc1ccccc1CN1CCCC1=O)C2 1655797074 IPYNJVFIDNTHGM-UHFFFAOYSA-N 423.542 1.999 30 10 HDEE CCOC(=O)c1csc(N2CCN([C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)n1 1655902897 REZUMNVTYYQSMY-KUHUBIRLSA-N 407.540 1.885 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C[C@H]1C(=O)OC 1656493385 NEQJCJBEBAQYIY-BZUAXINKSA-N 417.462 1.224 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(CCO)CCOCC(F)(F)F 1657298885 MHCOXEORJXAFFA-UHFFFAOYSA-N 411.384 1.556 30 10 HDEE N#Cc1ccc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)cc1F 1669084100 FUPYNNUXYMJCKR-UHFFFAOYSA-N 404.414 1.761 30 10 HDEE Cc1c(S(=O)(=O)N(CCN(C)C)CC(=O)N(C)C)sc2ccc(C#N)cc12 1670288137 DZTJQUOHFLRALA-UHFFFAOYSA-N 408.549 1.722 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(CC(=O)OC)cc2)c1 1670638902 NBWNYWMBOKBBQN-UHFFFAOYSA-N 402.472 1.796 30 10 HDEE C=CC[C@H]1CCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1675890688 IKCMOEGTFTUHHV-KRWDZBQOSA-N 407.536 1.956 30 10 HDEE CC1(C)CO[C@H](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1676025127 FOUWSCSXMJCHCO-QGZVFWFLSA-N 420.535 1.779 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1)C2 1687386566 MGTNPHAJQJMKLH-HOTGVXAUSA-N 405.501 1.221 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 1687789109 UOGPAMKUUXPOKW-FOIQADDNSA-N 410.482 1.008 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1689852025 YRWNYXMPBZNUFP-ARFHVFGLSA-N 402.524 1.097 30 10 HDEE C#CCCCn1c(N(C)CCN2C[C@H](C)O[C@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1689941716 UKIOFLXOXUJUDD-XQBPLPMBSA-N 419.570 1.889 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1-n1cccn1 1689966269 OERSLIDFQQZCKS-KRWDZBQOSA-N 410.503 1.484 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1689990190 MPYSLLBREMKXMF-SJORKVTESA-N 422.551 1.104 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCSC2(CCCCC2)C1 1690659128 KOKLLRBUORRFLT-UHFFFAOYSA-N 420.583 1.975 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@@H]2C)C1 1690684267 CDHWYBSYOLEGQF-OKZBNKHCSA-N 403.527 1.968 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(C)CCCS1 1692774454 HASWMDMLNGRQFF-DYVFJYSZSA-N 412.585 1.914 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C)C(=O)[C@@H]3C)n2Cc2ccc(C#N)o2)n1 1693428962 ZBUQSAUEFHQUAT-HNNXBMFYSA-N 408.466 1.320 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1705566977 SYEVMZMFZPZUNQ-MOPGFXCFSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1705571341 YTUKRPAAWPPGJU-MRXNPFEDSA-N 405.911 1.643 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCC1(C)C 1705621866 QPKCBKDFSGPSQM-HOTGVXAUSA-N 411.572 1.801 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1705627544 JMBKZBKFSKENAH-KRWDZBQOSA-N 410.522 1.910 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CC2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1705630083 GGRSTVAPUPMJSR-GOSISDBHSA-N 424.549 1.985 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1705736954 HCMSYPIFDAWOEB-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1705892381 BHPQQRNXPQUEMJ-UHFFFAOYSA-N 410.478 1.255 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1c(C)nn(C)c1C 1705902871 LMDABBFFHGMSCK-MRXNPFEDSA-N 401.515 1.461 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCc2nnc(C)s2)C1 1705928656 GZSXEZMFPJHVRL-HNNXBMFYSA-N 417.539 1.584 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1706462607 GYQGFUAUQQVVPY-HXUWFJFHSA-N 405.547 1.249 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2Cc2ccc(C(N)=O)cc2)cn1 1711247036 HYAPDCCSKPGLSY-UHFFFAOYSA-N 404.478 1.956 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCOCCCO)C1 1712875581 PNMMEPDNZRDIFP-SFHVURJKSA-N 404.402 1.694 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1712880495 ATFLKXCPURZBGD-CZIZESTLSA-N 419.445 1.180 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCN(CC)S(C)(=O)=O 1722282913 CFOCDKAZUHFRJH-MRXNPFEDSA-N 414.535 1.946 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCCN(C(C)=O)CC1 1722315840 UJIOEWBXPCXSEN-UHFFFAOYSA-N 412.494 1.868 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722362906 CYSMVGCSLGSUBQ-SJORKVTESA-N 404.540 1.623 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1722369737 FRALLBBKDALOQA-FGTMMUONSA-N 423.583 1.487 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2ccc(C)nc2)CC1 1722433322 QVPARBDGCXNAPU-JOCHJYFZSA-N 410.522 1.437 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCNC(=O)[C@@H](C)CCC)CC1 1722438405 QVNBXYSXZMHVOB-SFHVURJKSA-N 423.565 1.956 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCOC2)nnc1N(C)CCS(=O)(=O)CC 1722510052 RLSPBGNDLPDARW-BBWFWOEESA-N 412.556 1.634 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1722523473 VIKYYABZCYLNIK-KBPBESRZSA-N 408.484 1.026 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722536856 RGEYRMUYNVWPBJ-NHCUHLMSSA-N 421.542 1.613 30 10 HDEE C=CCn1c(-c2nn(CCC)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC(N)=O 1722685123 QXWZZELBASZRCN-AWEZNQCLSA-N 409.494 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1722730150 KAKHCNZNDPQKMU-KRWDZBQOSA-N 420.539 1.143 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)C1 1722814855 NAAYVLNHKZFKEO-VQTJNVASSA-N 424.505 1.727 30 10 HDEE Cc1nnc(N2CC[C@H](CN3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1726378216 CUPJHMZLEODBRQ-FTHOYRMOSA-N 413.526 1.425 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CC=CCO1 1729066163 WIJWKGUIIKNWFM-GOSISDBHSA-N 409.494 1.753 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1 1730478852 CYJKESDIIOARNA-INIZCTEOSA-N 416.457 1.272 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CCO1 1731190694 SPJFYSBLFNUJRY-LSDHHAIUSA-N 404.858 1.528 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCNS(C)(=O)=O 1740543910 YQLMLSUQYSAMCI-AWEZNQCLSA-N 419.507 1.114 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1740549084 KSTBCONJQSWQAN-QKLQHJQFSA-N 411.506 1.969 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1740586027 MIHMIWVHUQMKJH-QGZVFWFLSA-N 407.522 1.543 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1740627501 QTLYVBCVLLAHGA-JKSUJKDBSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](OC)C1CC1 1740639984 YIEVYECIDDQCPM-HXUWFJFHSA-N 419.533 1.950 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCCN2CCOCC2)CC1 1740697811 HBNCTLZFVWHVDP-UHFFFAOYSA-N 423.565 1.132 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740796159 QSGLUPKNCBKXBP-DYESRHJHSA-N 419.526 1.377 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCCN1C[C@@H](C)O[C@H](C)C1)C1CC1 1740911818 ZRBOTUQDRKTPCB-NUJGCVRESA-N 402.543 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740956725 YZDOVCKUSXKTAM-MRXNPFEDSA-N 409.494 1.234 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1740978008 MVJONPBAVZQBNI-DENIHFKCSA-N 413.522 1.802 30 10 HDEE CCN(c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1745962119 BNRQYESGDXXSNG-CYBMUJFWSA-N 413.463 1.261 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H](C)C#N 1746489895 PSCPJIYUYBLALV-JYJNAYRXSA-N 406.531 1.760 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO 1748837292 BDWXNLHNBACQLS-NRFANRHFSA-N 402.502 1.736 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1CC1(N2CCCC2)CCOCC1 1748852688 KXAKSAHLBXWZNP-UHFFFAOYSA-N 418.545 1.982 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCN1CCc2ccccc2C1 1748963034 WZMXWIGKDVEIAV-NRFANRHFSA-N 409.534 1.926 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1749268801 HJKXONKFURUXDD-HUUCEWRRSA-N 417.963 1.690 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1749430084 QZARVGAECHMDAS-KRWDZBQOSA-N 406.494 1.789 30 10 HDEE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1749608802 CUVOZFPTPJRQPM-NRFANRHFSA-N 411.510 1.536 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749839230 OYDRNTFSFWDXNB-KRWDZBQOSA-N 423.477 1.230 30 10 HDEE N#CCC1CCN(c2nnc(Cc3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1750389936 RQSLFYIMSYNHFD-KRWDZBQOSA-N 422.493 1.382 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCNC(=O)C(C)C 1750957154 KBFZHXAKZLZONM-FQEVSTJZSA-N 403.531 1.709 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1750980234 HRPOZUZQUOKNNR-DLBZAZTESA-N 424.461 1.846 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](c2cnn(C)c2)C1 1760144771 ASGILFYMVNDNLP-GJZGRUSLSA-N 405.528 1.029 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCSC2(C)C)CC1 1760252788 VPQMLXAYMAJPGV-QGZVFWFLSA-N 416.595 1.801 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H](OC)C(C)(C)C)CC1 1760273179 KQBSMQJXMXWSMH-QGZVFWFLSA-N 405.543 1.842 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1760281258 POTMLDVUTOJHLK-MRXNPFEDSA-N 416.551 1.187 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1760321161 CDNSUALSLFTIIY-SJLPKXTDSA-N 411.572 1.539 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2ccco2)C1 1760522397 SGHALANWFXJLSW-CABCVRRESA-N 419.507 1.069 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)C1Cc2ccccc2C1 1760553953 NAGDZCZYRHQAOD-UHFFFAOYSA-N 424.530 1.940 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3cccnc3)n2CCC(=O)N2CCOCC2)C1 1761544439 DMGBVNKSOIFZBC-JOCHJYFZSA-N 423.521 1.643 30 10 HDEE CCN(CC1CCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1766802235 CYKJRFXGDPXMIA-ZZEZOPTASA-N 422.493 1.888 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC[C@H](CO)O1 1769982575 HIAKSRHGIXHIJU-YESZJQIVSA-N 407.515 1.672 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCO[C@H]2CCOC2)CCO1 1771538358 BITSVEPRXPYTAK-DLBZAZTESA-N 403.508 1.855 30 10 HDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)ON1C(=O)c2ccccc2C1=O 1772788276 ODAHHUQRQSILSC-UHFFFAOYSA-N 400.412 1.903 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1772789314 DJSOOTBSFFRDDJ-UHFFFAOYSA-N 414.439 1.842 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CC2(O)CCOCC2)CCOC1 1772844885 LLHMJFHKHSEEGF-NRFANRHFSA-N 419.526 1.600 30 10 HDEE C=CCN1C[C@H](C(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)CC1=O 1850063788 LNABAHUUEYRGDS-MRXNPFEDSA-N 402.491 1.903 30 10 HDEE C=CCN1C[C@H](C(=O)OCC(C)(C)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O 1850959531 PMWJOMIUMMXABH-MRXNPFEDSA-N 409.527 1.895 30 10 HDEE Cc1cccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1C 1852989314 WQRCDXWMCXCFAG-KRWDZBQOSA-N 404.474 1.667 30 10 HDEE C=C(C)CN1CCN(C(=O)Cn2cnc3ncccc3c2=O)C(=O)C12CCCCC2 1853702113 CZRDFHPADINYSW-UHFFFAOYSA-N 409.490 1.741 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1=O)[C@@H]1CCN(C)C1=O 1853804118 BSCLMKSCDROVDI-RBUKOAKNSA-N 407.474 1.480 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccn(CC)c(=O)c2)C1=O 1854225051 RPNVTTGVZGHYTM-QZTJIDSGSA-N 414.506 1.108 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)c3cccc(Cl)n3)C2=O)C1 1854293096 XCJMGBLOWJMUBL-INIZCTEOSA-N 411.849 1.896 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN(C)C 1854538073 UVXWDCYDPMJJDN-MRXNPFEDSA-N 405.520 1.783 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3cccc(=O)o3)C2=O)C1 1854799539 RIMRCNXRZQXXPH-INIZCTEOSA-N 408.414 1.191 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)C[C@@H]3CCOC3)C2=O)CC1 1854861666 WZEYDHJGKHLPPN-HKUYNNGSSA-N 412.490 1.598 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](C3CCN(CCn4cccn4)CC3)CC2=O)CC1=O 1855111585 FGCRWYJXACUWNO-RTBURBONSA-N 413.522 1.005 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@H](N3CCC(Cn4nccn4)CC3)C2=O)ccn1 1855920958 MBNSEXQXGFFLCA-IBGZPJMESA-N 407.478 1.478 30 10 HDEE CC(C)C[C@H](F)C(=O)N1CCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1855984808 KHXKPGMAKUUYEF-ZWKOTPCHSA-N 401.486 1.977 30 10 HDEE N#CCS(=O)(=O)N1CCC(=O)N(C(=O)[C@@H]2COc3ccccc32)c2ccccc21 1856894999 JJHIQBRVDYKGDF-OAHLLOKOSA-N 411.439 1.786 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(Cc3nnnn3-c3ccc(F)cc3)CC2)CC1=O 1857137916 WFQGAXKOSVUPOT-OAHLLOKOSA-N 411.441 1.302 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857263024 BQKPVVVQLDOSRB-KBXCAEBGSA-N 405.445 1.601 30 10 HDEE Cc1cc(C(=O)N2C[C@H](CN3CCN(c4ncccc4C#N)CC3)CCC2=O)no1 1857382278 BMNVWOZMMZEVRM-INIZCTEOSA-N 408.462 1.451 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cc3n(n2)CCCO3)CCN1Cc1ccc(C#N)cc1F 1857433824 MKUQGLCYEQACIF-UHFFFAOYSA-N 411.437 1.940 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)Cc1ccc(N2CCOCC2)cc1 1866906205 MDLQYURGUPLVNO-FQEVSTJZSA-N 408.458 1.053 30 10 HDEE C=CCOc1cn(C[C@H]2CCCO2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870386500 SENNROJEMWMVHW-GOSISDBHSA-N 405.495 1.866 30 10 HDEE COCCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccn1C 1874470527 JWMUWILILSQZMZ-VCHYOVAHSA-N 405.509 1.875 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010400037 VAQNKUNJLXAWSB-UHFFFAOYSA-N 422.266 1.673 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCN(C(=O)c3nc[nH]c4nccc3-4)C2)[nH]1 2069517041 KWDVJVTYBUPOQQ-CXAGYDPISA-N 403.446 1.876 30 10 HDEE CC(C)(C#N)OCCS(=O)(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074761551 NTUALFMGBUPZKG-HNNXBMFYSA-N 412.464 1.490 30 10 HDEE CC1(C)OB([C@H]2[C@@H]3CN(C(=O)CS[C@H]4CCS(=O)(=O)C4)C[C@@H]32)OC1(C)C 2163718831 PRZREVQUZKSHAX-RMRHIDDWSA-N 401.359 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@@H]1C(F)F 2174788081 ASWCHKBVIVGZLK-CMPLNLGQSA-N 402.423 1.732 30 10 HDEE C#CCN(C(=O)C(C)(C)[C@@H](CC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2188397377 ZTPBRZVSIBCZNE-LSDHHAIUSA-N 400.541 1.965 30 10 HDEE CC(C)(C)OC(=O)NCC1CC([S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2192573630 SJGPSSMUIFQHQG-CSSVYLATSA-N 420.557 1.478 30 10 HDEE CN(C)CCCN(CCNC(=O)OC(C)(C)C)C(=O)C#CB1OC(C)(C)C(C)(C)O1 2247937924 QPOLDTLBGUTMOP-UHFFFAOYSA-N 423.363 1.926 30 10 HDEE C=CC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1ncnc2[nH][nH]c(Br)c1-2 2263335854 CWMLEZUGPMLTJZ-QMMMGPOBSA-N 411.260 1.897 30 10 HDEE CN(C)CCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267351996 ABEKMWCCIXKSMS-UHFFFAOYSA-N 408.782 1.931 30 10 HDEE Cc1nsc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)n1 2267368564 KXNXJWZZMVZWJH-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOCCN3)cc2Cl)OC1(C)C 2267705281 XGBYUDDSZCUPOQ-UHFFFAOYSA-N 408.738 1.226 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)c1nncs1 2267711675 OMYLDKIZQDDOFK-VIFPVBQESA-N 401.344 1.938 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@H]3C(N)=O)c2Cl)OC1(C)C 2281939323 DIPFUTYKVCAEOM-JTQLQIEISA-N 400.693 1.027 30 10 HDEE CN(C)C[C@@H](O)CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281975694 QMFYBNNNFVJMTR-LLVKDONJSA-N 402.753 1.695 30 10 HDEE C[S@@](=O)C[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2281998966 AOIQALWPZHILGD-MZHQLVBMSA-N 400.375 1.965 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C)[C@@H]1CCNC1 2282325965 MAAUQULZKSIUBV-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE CN(C)C[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282333591 QLUTWFGFGOEPAH-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CC1(C)NCCC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282339658 ZNBZZHZVHFNKFB-ZDUSSCGKSA-N 400.375 1.856 30 10 HDEE COCC[C@](C)(O)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282501675 ACUDCJYHOZUYNG-INIZCTEOSA-N 405.347 1.113 30 10 HDEE C[C@@H]1CN(C)C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509269 IQOIQINOXUJLTH-OCCSQVGLSA-N 400.375 1.417 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2(CN)CCCC2)OC1(C)C 2282510530 ZTDIKZIRLICABZ-UHFFFAOYSA-N 400.375 1.845 30 10 HDEE C[C@@H]1[C@@H](N)CCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833260 WGUJPHIRQAAKRT-NEPJUHHUSA-N 401.363 1.084 30 10 HDEE CC1(C)OB(c2ccc(CS(=O)(=O)N3CCC4(CC3)OCCO4)cc2)OC1(C)C 2282844192 ZNQREBKERBPVML-UHFFFAOYSA-N 423.340 1.655 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H](C)C[C@H]1O 2282849545 COYFOFJQFYSYSA-YRGRVCCFSA-N 401.359 1.827 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CCS1 2282858298 UZHKDRMDYZAKNA-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1OC 2282862063 YCZTVPXQNORQGT-BETUJISGSA-N 403.331 1.082 30 10 HDEE CN(C[C@@H]1CCN1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871408 GONASOWZSNVNNN-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@H](CC(=O)O)C3)c2)OC1(C)C 2284393880 QQQLOFWRBWJTCL-LLVKDONJSA-N 401.315 1.533 30 10 HDEE C[C@@H](CCC(=O)O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395093 HOIYKPVFVMFLPU-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@@H](C(=O)O)C2)OC1(C)C 2284400826 YRQIJMHESZVVLW-LLVKDONJSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC(c3nncs3)C2)OC1(C)C 2285513853 PQDKDVACSYWRIH-UHFFFAOYSA-N 413.355 1.687 30 10 HDEE O=C1Oc2ccccc2C(=O)C1=CNCCn1ccc2c(cnc3ccnn32)c1=O 2297633343 MDEDKSDCEVGZLG-UHFFFAOYSA-N 401.382 1.320 30 10 HDEE NS(=O)(=O)c1ccc(CNC(=O)C(=O)C=Cc2ccc3c(c2)OCCO3)cc1 2318789491 HCYLBSNNJGUIPX-UHFFFAOYSA-N 402.428 1.004 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(F)c2)CC1=O 2327841435 IHNCKTRLNXIPLJ-ZDUSSCGKSA-N 418.498 1.991 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339674730 NFSKKKDTTNXBMA-ZIAGYGMSSA-N 401.554 1.733 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1N(C(=O)OC(C)(C)C)CCOC1(C)C 2367786990 JMBRKOIAGKYHDY-GJZGRUSLSA-N 400.541 1.570 30 10 HDEE CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367788781 QJLUAXREXMNDST-UONOGXRCSA-N 403.497 1.730 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H]2CNC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2369654673 OMEGTARGXQOHTJ-RYUDHWBXSA-N 404.338 1.286 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CC[C@H](NC(=O)OC(C)(C)C)C1 2373484852 PVCDPSZUWMUKDQ-PMUMKWKESA-N 400.497 1.009 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2381030824 KFQBCOGJFOUWQI-GJZGRUSLSA-N 400.541 1.556 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)CC1(C#N)CCOCC1 2382019973 IVYIUPVANHEDTM-UHFFFAOYSA-N 410.237 1.087 30 10 HDEE CCCn1c(=O)/c(=C\c2cccc(Cl)c2)s/c1=C(\C#N)C(=O)N1CCOCC1 12653559 IONQEWVWXGBXRY-LNWFBJFBSA-N 417.918 1.335 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]1(COC3=O)[C@@H](CO)C(C)(C)CC[C@H]1OC(C)=O 257511200 PFPNLISKAPWUFU-JPCDUGAESA-N 406.475 1.402 30 10 HDEE biogenic Cn1cc(C/N=C2/NC[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)c(C(F)(F)F)n1 305251423 VDRAQLMUFAWLRM-GFCCVEGCSA-N 402.421 1.819 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435439677 WGCOOCFJFVVUFI-XJKSGUPXSA-N 412.471 1.467 30 10 HDEE CNC(=O)Cn1cc(NC(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)cn1 444947282 JTDKJCPIKQKJGF-UHFFFAOYSA-N 401.858 1.508 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 460281542 NLDYHGZDDWIPTA-INIZCTEOSA-N 405.501 1.968 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CCN3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)CC2)cc1 463898970 VQHSLANKCPBXBO-UKAVVXHISA-N 423.469 1.481 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 464465760 JYBSMDQWEIVNIZ-UHFFFAOYSA-N 424.295 1.296 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)cn1 480041690 FXIJUDQMIFUMGF-MRXNPFEDSA-N 408.466 1.941 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC1CCN(c2ccccn2)CC1 480785304 GZOJVZIVTPMUIF-OAHLLOKOSA-N 413.503 1.405 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(c3ncnc4sccc34)CC2)cc1C#N 489111828 ATSOQBAEIWPIEN-UHFFFAOYSA-N 400.489 1.777 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)NCCn2cnc(C#N)n2)C[C@H]1c1ccc(Cl)cc1 491152966 BCMROGHMPHBVFU-LSDHHAIUSA-N 402.842 1.401 30 10 HDEE C[C@H](O)CN1CCN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C1 502677418 FVUVOOMUISNOIL-XYCLOBBJSA-N 401.511 1.740 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCSC[C@@H]3CCO)C2=O)cc1 511365143 VVDPQWQIKZNRID-HOTGVXAUSA-N 402.476 1.090 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N3CCCCC3)cc21 526839713 FMYGYQCPPDWFQZ-MUUNZHRXSA-N 404.488 1.542 30 10 HDEE CCOC(=O)c1c(NC(=O)Cn2cnc3ccccc3c2=O)c(C#N)cn1CCOC 540735172 VBMXTANXKCIDJK-UHFFFAOYSA-N 423.429 1.531 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(S(=O)(=O)Cc1ccc(C#N)cc1F)C2 551224882 CQRIEBIYJHOIOD-UHFFFAOYSA-N 423.491 1.494 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc(Cn3cccn3)on2)cc1 555659209 DWJBFLJCHHGEII-KRWDZBQOSA-N 408.443 1.945 30 10 HDEE C=CCOC[C@@H]1NC(=O)N(C2CCN(C(=O)c3ccc(OCC)cc3)CC2)C1=O 560985370 HFULKNVLIVJFLD-SFHVURJKSA-N 401.463 1.813 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 561513751 IFQONTDBCPNNGW-CVEARBPZSA-N 408.499 1.406 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 564378612 IQKLGJGZNSXVQI-MRXNPFEDSA-N 410.544 1.563 30 10 HDEE CN1C(=O)C[C@@H](NS(=O)(=O)c2cncc(C#N)c2)[C@H]1c1ccc(Cl)c(F)c1 566884060 ARZVFTXZAXSSHC-NVXWUHKLSA-N 408.842 1.996 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@@H]1c1ccc(Cl)c(F)c1 577305775 QUKGHQCRUCCCGM-ACJLOTCBSA-N 406.845 1.583 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCCN(C(=O)N3CCN(c4ncccn4)CC3)C2)c1 585985479 QVVVJLIGLXHBNM-IBGZPJMESA-N 419.489 1.485 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@H]3CCCN3c3ccc(C#N)cc3)CC2)CC1 609431262 KAGXYFPCAVAFNY-JOCHJYFZSA-N 423.561 1.930 30 10 HDEE C[C@H](C#N)CN(C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)C1CC1 611097869 GVMWVWDOVFCODK-GFCCVEGCSA-N 412.450 1.335 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@H](OC(F)F)C3)C2=O)cc1 611587543 XSLFSPQIFUZFCU-GJZGRUSLSA-N 406.389 1.993 30 10 HDEE CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 619569791 TZUAIMSMVRAWKD-LJQANCHMSA-N 405.458 1.806 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 679525861 JRWRBMZJXUBOKS-UHFFFAOYSA-N 417.915 1.628 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O[C@H](C(=O)N(C)C)C(C)C 729701716 OIJJMKAODIEIAU-RDJZCZTQSA-N 423.535 1.940 30 10 HDEE CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc(S(N)(=O)=O)cc1C#N 731904235 DCNANHKAWLAQNL-UHFFFAOYSA-N 423.516 1.514 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 732465647 HKYWTKWMHHMIAM-QCPHZMBFSA-N 404.854 1.949 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)OCC(=O)NCc3ccc(C#N)cc3)CC(=O)N2C)cc1 734925128 XTPKSVVKPISACV-UGKGYDQZSA-N 421.453 1.946 30 10 HDEE C#CCN(C(=O)Cc1cc(Br)ccc1OC)[C@@H]1CCS(=O)(=O)C1 742052365 NBMFOLFKCKQGBX-CQSZACIVSA-N 400.294 1.649 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 745044972 MNLOREFSBIONHL-UHFFFAOYSA-N 416.434 1.206 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)OCc2ccnc(C#N)c2)cc1OCC 747010794 AAIPFIWVDQHDRE-UHFFFAOYSA-N 419.459 1.772 30 10 HDEE CC(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 749645005 IONXTPRCCGPZKY-HNNXBMFYSA-N 404.492 1.006 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N1CCN(c2ncccc2C#N)CC1 749868753 CKCNQDVPRCTFHC-OAHLLOKOSA-N 402.499 1.946 30 10 HDEE Cc1cc(C)n2c(C=NNc3ccccc3S(=O)(=O)N3CCOCC3)cnc2n1 755754180 MRMRYKGSWQRDAI-UHFFFAOYSA-N 414.491 1.813 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(C)n(CCOC)c2C)c1=O 758061608 ICFODYBDGOSHGE-UHFFFAOYSA-N 423.538 1.480 30 10 HDEE Cc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1S(C)(=O)=O 759791891 XSRIOBWXNVJLIH-UHFFFAOYSA-N 421.500 1.466 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)n1 760659171 XETCBBVECOGHQP-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cn(-c2ccccc2)nn1 760933225 LEXOURFVLPAKSG-ZDUSSCGKSA-N 410.459 1.183 30 10 HDEE Cc1ccn(-c2ccccc2CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)n1 768305686 VNYCLIFXBSTDNW-UHFFFAOYSA-N 409.471 1.536 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768485186 ASJIKRKHKLRKRF-OAHLLOKOSA-N 416.463 1.868 30 10 HDEE C=CCNC(=O)[C@@H](C)OC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 771444573 FNGSVJLAQZKJFS-XCLFUZPHSA-N 403.435 1.005 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC)c(OC(F)F)c1)[C@@H]1CCS(=O)(=O)C1 774164978 JMHJOZCLQXLKKK-CYBMUJFWSA-N 402.419 1.629 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3ccc(C#N)nc3)C2)C(=O)C1 777203046 FVMPUJWDLJQVJM-KRWDZBQOSA-N 413.478 1.637 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOCC2(CC2)C1 782846809 UZDYVJCYRZYOLE-UHFFFAOYSA-N 405.520 1.925 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCCn2ccnn2)C1=O 784124880 LPNHMTAIQVPMDX-HNNXBMFYSA-N 404.471 1.884 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(C(N)=O)ccc2CN(C)C)n1 788629182 YOQSXVQMTOQEEN-UHFFFAOYSA-N 412.494 1.357 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])n1 788695496 QBCAXAPKAPQXEW-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE CCOC(=O)CC1(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CCCC1 790358274 ZXSYFWBSBLXETQ-UHFFFAOYSA-N 421.519 1.888 30 10 HDEE C[C@H](C(=O)N1CCc2c(Br)ccc([N+](=O)[O-])c2C1)n1cnc(C#N)n1 791174452 ZNNVCHRQOHPIEK-SECBINFHSA-N 405.212 1.966 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)c1=S 795658852 QGQXSNZQXMPZSN-MRXNPFEDSA-N 422.580 1.975 30 10 HDEE C#CC[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 796097720 UYYYWGYKFRVMOJ-QGZVFWFLSA-N 406.529 1.850 30 10 HDEE C[C@@H](C(=O)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O)n1cnc(C#N)n1 798350653 LQXKPYPXEUEIMS-KYJZABPNSA-N 414.422 1.703 30 10 HDEE C[C@@H](C(=O)N1CCC(OCCCNC(=O)OC(C)(C)C)CC1)n1cnc(C#N)n1 798973644 PDCAGWVLVBLTAL-AWEZNQCLSA-N 406.487 1.633 30 10 HDEE Cc1cc(C)c2c(c1)C(=NOCC(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1)C(=O)N2 813166680 FMONCVHNKCBDIS-HNNXBMFYSA-N 421.519 1.648 30 10 HDEE C#CCC[C@@H](O)CNC(=O)NC1CCC(N2CCN(C(=O)OC(C)(C)C)CC2)CC1 813243389 OPZDDHMHVBUTIW-CTWPCTMYSA-N 422.570 1.924 30 10 HDEE COCC(=NNc1ccc(S(=O)(=O)NC2CC2)cn1)c1cccc([N+](=O)[O-])c1 814799571 MJOWSKWMYFSUPO-UHFFFAOYSA-N 405.436 1.893 30 10 HDEE COC(=O)c1ccc(C=NNc2nnc(SCC(=O)OCC(C)C)n2N)cc1 1084025935 JHXAPMPNFZVUKX-UHFFFAOYSA-N 406.468 1.516 30 10 HDEE Cc1nn(C)c(NC(=O)CS(=O)(=O)Cc2cccc(Br)c2)c1C#N 1130952116 FSOHYHKCKXPVRS-UHFFFAOYSA-N 411.281 1.916 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@]23OCCC[C@H]2C3(F)F)ccc1F 1131119368 XCPYDLMPJWULMJ-ZBFHGGJFSA-N 404.410 1.834 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CN2CCN(C(=O)OC(C)(C)C)CC2)c1 1136326442 DIXWCLUEJXQFEH-UHFFFAOYSA-N 400.479 1.275 30 10 HDEE N#Cc1cc(NC(=O)c2ccc3c(c2)C(=O)NCCO3)ccc1N1CCC(O)CC1 1137499117 ROTSIWLTFDYXPF-UHFFFAOYSA-N 406.442 1.894 30 10 HDEE Cn1cc(CNC(=O)c2ccc(S(C)(=O)=O)cc2N)c(-c2ccc(C#N)cc2)n1 1138163177 DHLAGDYMIIXHRH-UHFFFAOYSA-N 409.471 1.874 30 10 HDEE C[C@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)N1CSCCSC1 1153865198 CPWGKVWERITZAS-MGPQQGTHSA-N 400.570 1.947 30 10 HDEE C#CC[C@@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1160145951 KDDQSGQMCHKEHJ-DOMZBBRYSA-N 409.280 1.417 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(C(=O)c2cn[nH]c2)CC1 1160328028 GWSZPNVZIQZXDJ-MRXNPFEDSA-N 403.483 1.437 30 10 HDEE N#Cc1ncc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1C#N 1161957438 UJAYFDRTUGBUCD-UHFFFAOYSA-N 404.455 1.884 30 10 HDEE CN(C[C@H](O)CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1175399330 KFQABVPUGKTRIS-QZTJIDSGSA-N 402.495 1.823 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2nc3cccc(F)c3[nH]2)cc1 1175734061 XWDLLPXNNARHRW-UHFFFAOYSA-N 401.423 1.824 30 10 HDEE C=CC[C@]1(C(=O)N2CC(OC)(c3cnnn3C)C2)CCCN1C(=O)OC(C)(C)C 1176846413 JHZKABGSWBFMOG-LJQANCHMSA-N 405.499 1.845 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN[C@](C)(Cn3cccn3)C(N)=O)c2C#N)C1 1176861411 XSKKCYDFJWJYQA-ZUOKHONESA-N 414.535 1.803 30 10 HDEE CC(C)(C)n1cc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)c(O)nc1=O 1177381793 WWWAWOGKNDLCPT-CQSZACIVSA-N 409.446 1.245 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CC[C@H](O)[C@H](O)CC2)C1 1178282400 ZPKNVDOVQNQCOB-XGBSXSJOSA-N 408.296 1.538 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1186644709 UIMRJXWAVISPSP-UHFFFAOYSA-N 420.304 1.616 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)nn1 1219624959 ZFMSGBCZHBPEGO-NDEPHWFRSA-N 405.484 1.500 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@@H](C)O1 1233854129 UYBKCZAXXAYENK-UUAJXVIYSA-N 409.531 1.542 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCc3ccnc(-n4cncn4)c3)C2)nc1 1234444900 IABBXQSYUGGCAS-QGZVFWFLSA-N 403.450 1.715 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCOC1 1286375309 VUZTXUZFNYIBHY-KKSFZXQISA-N 419.526 1.613 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1286389698 OUPGWIRSHYRDMI-CVEARBPZSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)O 1286420333 CYKVXYSKQKROGT-UHFFFAOYSA-N 400.504 1.582 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CC)C2)CC1 1286652350 WGHDIGWNTNAMJX-RDJZCZTQSA-N 410.588 1.633 30 10 HDEE C=CCCCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286684676 LKWURJBMEYHNQZ-QGZVFWFLSA-N 424.505 1.457 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@](C)(C(N)=O)C1 1286709296 PKKMXOUFFJEXGW-NRFANRHFSA-N 413.478 1.968 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)C 1286742091 GZFIDUCQCQJWHJ-UHFFFAOYSA-N 409.494 1.569 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2cc(F)cc(F)c2C1 1286786587 UYSIRKWYGZNWJD-INIZCTEOSA-N 416.432 1.372 30 10 HDEE CN(C)C(=O)COc1ccc(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1290652206 SYTWSUALTRITIR-UHFFFAOYSA-N 419.434 1.842 30 10 HDEE C#CCN(CC(=O)Nc1cc(S(=O)(=O)NC2CC2)ccc1O)C(=O)OC(C)(C)C 1295524013 LRBFFGNHVRTLQW-UHFFFAOYSA-N 423.491 1.642 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1297969705 BXSDAYUHCZMLDY-KRWDZBQOSA-N 423.477 1.326 30 10 HDEE CO[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCOC1 1299808698 FATPPDUBFXDELP-VQIMIIECSA-N 423.539 1.116 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1300403569 LTVSMUQMMUEIRN-SFHVURJKSA-N 406.494 1.867 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1=CCCCC1)[C@H]1CCS(=O)(=O)C1 1300480201 ZJFFWQJDBIMQIE-KRWDZBQOSA-N 419.551 1.543 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1300618668 LULUJVUWXXITDM-UHFFFAOYSA-N 421.505 1.520 30 10 HDEE CS[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(C)(C)C 1302590445 GUEZZKULNLKUBG-CABCVRRESA-N 406.556 1.907 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1303807443 OQBZJSSXZPZEJV-WDEREUQCSA-N 412.438 1.553 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(O)CCC[C@@H]2C)cs1 1304675098 ZNLDMGBLJONZLE-URKNILKWSA-N 402.524 1.914 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3ccc(OCc4ccccn4)cc3)C2)c(=O)nc1O 1305589195 DFZDTWZVSQPKAZ-UHFFFAOYSA-N 417.425 1.421 30 10 HDEE CC(C)C[C@@H](C(N)=O)N(C)CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1308025245 AJJCKYMDGAHBOY-OALUTQOASA-N 403.502 1.366 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCc2nnc(S)n2C(C)C)n1 1312935230 YSCWLNAGYQSAHS-UHFFFAOYSA-N 405.528 1.378 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1314405787 UXQGVPYULRVKNW-QGZVFWFLSA-N 408.466 1.685 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)C1 1316532192 NBYSZYVRLQTGRG-CXAGYDPISA-N 424.889 1.719 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1358904112 VGYPDLZRDYGCBJ-UHFFFAOYSA-N 407.478 1.755 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCNC(=O)c1ccc(C)c(F)c1 1358977954 AOVSYJBAIGUNLD-SFHVURJKSA-N 409.465 1.732 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCOC[C@H]2OC)CC1 1359040825 HCVDFQMGUYWMGM-ZWKOTPCHSA-N 403.527 1.419 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(-n2cccn2)c1 1359280423 QIVAEICSXREMIB-UHFFFAOYSA-N 419.493 1.946 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@]2(O)CCN(C)C2)C1 1359311909 KTIURMJNYMRZOD-UWJYYQICSA-N 420.558 1.044 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)[C@H]1c1cccnc1 1447221540 NYNVVIZHHTZIFZ-TYPHKJRUSA-N 406.442 1.452 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc([C@H](C)C(F)(F)F)cc2)CC1 1455114984 JPGBDUBQNGFDND-ZDUSSCGKSA-N 403.426 1.578 30 10 HDEE CON=CC(=O)Nc1cccc(S(=O)(=O)NCCNC(=O)OC(C)(C)C)c1 1464618021 YOKKXCSALCOGKW-UHFFFAOYSA-N 400.457 1.060 30 10 HDEE CCn1c(S)nnc1CCNC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1470450614 CITVPOSKDNOKOH-UHFFFAOYSA-N 413.551 1.965 30 10 HDEE C=CCn1cc(CNC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)nn1 1470584467 QUTZMDGWHJAAPV-UHFFFAOYSA-N 407.519 1.252 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC(Nc3cccc(C#N)c3)C2)C1=O 1470618663 VLENSZMGZJGFHD-QFIPXVFZSA-N 403.442 1.648 30 10 HDEE C#CC[C@@H](COC)NC(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C 1470737776 DPSGUCHGLCVNMQ-INIZCTEOSA-N 418.519 1.224 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3C)CCO2)CC1 1471124151 BZSFLLHPPHZOJO-NRFANRHFSA-N 412.534 1.367 30 10 HDEE C#CCC1(NC(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CCC1 1472002270 SSCZHWKZBFXJBA-UHFFFAOYSA-N 402.520 1.818 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(O)cccc1OC(F)(F)F 1474862768 CZLIZGMHCBKYLD-SNVBAGLBSA-N 415.411 1.655 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CCCC[C@@H]1CN(C(=O)NCCn1cnc(C#N)n1)C2 1478603708 JROBJRPZHRDQDZ-QRWLVFNGSA-N 417.514 1.876 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@H](CNS(C)(=O)=O)C1)c1ccc(Br)cc1 1478895834 GUHLZPPTYKJJJQ-IUODEOHRSA-N 414.325 1.704 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCS(=O)(=O)CC2CC2)C1 1505315843 SZEMGNOXTHRVFB-YJBOKZPZSA-N 411.503 1.439 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(N2CCNC2=O)CC1 1507572321 GOHFPSHWABYXGB-UHFFFAOYSA-N 415.542 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 1507668954 FMXBZJCXSHOQDP-SFHVURJKSA-N 417.579 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cccnc2)n1CCS(=O)(=O)C(C)(C)C 1507671959 TVKYAFQCCWGBQG-UHFFFAOYSA-N 413.547 1.940 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCOCC1 1507700146 OKPXPALGTVTEPW-ROUUACIJSA-N 405.543 1.572 30 10 HDEE C=CCn1c(N2C[C@H](CC)[C@@H](N3CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1508066188 IIILKWVWUFGUIF-BBTUJRGHSA-N 405.543 1.663 30 10 HDEE C[C@@]1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1510351081 XKRRNSXEZDVFFJ-SIKLNZKXSA-N 411.506 1.988 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1513916078 SVDJPUFSYVNGSB-UHFFFAOYSA-N 420.477 1.343 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(CCCCO)C2CC2)C1 1517411823 DZCZNPZGBLFHEL-JOCHJYFZSA-N 410.522 1.625 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1518779426 YEFOKANHXKBZHD-RHSMWYFYSA-N 405.430 1.579 30 10 HDEE COCC[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1519001019 GIHBZLRWUITGLJ-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE Cc1oc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1S(C)(=O)=O 1528682750 KJXMVCFDGULYHU-HNNXBMFYSA-N 401.444 1.789 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)N[C@@](C)(C4CC4)C3=O)c2C#N)C1 1533457141 IEFRVTKEHYRMDE-IBGZPJMESA-N 415.475 1.183 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1OCC[C@H]1NC(=O)OC(C)(C)C 1533849096 LHZUMXLZIJSTGA-LZWOXQAQSA-N 416.482 1.068 30 10 HDEE N#C[C@@H]1CN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CCN1C1CC1 1535360922 VNKVBHXFLNWVIU-LJQANCHMSA-N 402.520 1.358 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCS(=O)(=O)N(C)C 1538992973 CDJAMCZYTDOPLF-OAHLLOKOSA-N 412.519 1.843 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1539066259 SJBXCHGTQBPKRY-QZTJIDSGSA-N 400.527 1.334 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)Cc1ccccc1 1539178354 HDXJYOOFUOOBAY-IEBWSBKVSA-N 415.563 1.770 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2OCC[C@H]2C)CC1 1539477428 MCHCQOIVPYFLAM-CRAIPNDOSA-N 409.494 1.126 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(N)=O)CC1 1539633589 ZNWWWYOBMBULNL-KSZLIROESA-N 403.527 1.855 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCN(c2cnn(C)c2)CC1 1539743634 MVTMBXSHMGDGQY-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1540159573 RALCVWVNHQZEIR-UHFFFAOYSA-N 421.519 1.390 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2nc(S(N)(=O)=O)c3ccccn23)CC1 1540550514 SMRQXGYEUKZRKQ-QGZVFWFLSA-N 424.486 1.004 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1540916054 RXWMCVJAUBXTFZ-HNNXBMFYSA-N 404.540 1.938 30 10 HDEE N#Cc1c(CCCNC(=O)/C=C/CN2CCOCC2)nn(-c2ccc(F)cc2)c1N 1543677833 BCEWLZDJEFCEDJ-DUXPYHPUSA-N 412.469 1.402 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCC(=O)N1CCCCC1 1555670252 UMHOXTOIXJBHPG-DLBZAZTESA-N 420.514 1.133 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H]1COCCO1 1555746962 LNTYROMSNZSWQS-OGNFBWPZSA-N 405.499 1.548 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@@H]32)cc1B1OC(C)(C)C(C)(C)O1 1558061043 ZEUCVTNPCAOKEO-ZWKOTPCHSA-N 414.311 1.414 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2cn(C)nc2I)c1C#N 1558906485 CXZZUTNFUNCGAF-UHFFFAOYSA-N 413.223 1.024 30 10 HDEE C#Cc1cccc(N(Cc2ccccc2)S(=O)(=O)CC2CN(S(C)(=O)=O)C2)c1 1561220982 PZEQOZDIFXAHJK-UHFFFAOYSA-N 418.540 1.896 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1561869217 ZKEGCHFRLHBCLU-MRXNPFEDSA-N 416.565 1.775 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(Oc3ccccc3OC)cn2)CC1 1565590353 YBKHYJPMNAFVCU-UHFFFAOYSA-N 422.485 1.780 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 1567194342 QSDSCKFBQHQAHF-SJORKVTESA-N 417.462 1.915 30 10 HDEE C=CC1(CC(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CN(C(=O)OC(C)(C)C)C1 1587292599 CFKFVCNMGOHOTJ-UHFFFAOYSA-N 403.483 1.409 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1587549705 BOSANFGETYRMNL-QZTJIDSGSA-N 403.575 1.148 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1587640170 PMHFUFURPYSRPB-GDBMZVCRSA-N 416.503 1.458 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(OC)CCC1 1588180108 BDSHXNAZQVDWOO-INIZCTEOSA-N 407.540 1.310 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1588386892 QXPHLBOMOUYRQN-HNNXBMFYSA-N 405.524 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2cnnn2C)CC1 1588876491 BQMONLYKKOHGFA-QZTJIDSGSA-N 412.542 1.129 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1589135393 YAUBRBJRHGYILO-DTRVGAPLSA-N 420.579 1.966 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1593689646 CCKZOTUCNHFAPM-JXFKEZNVSA-N 407.515 1.393 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NC)CC1 1594182323 YITBJCRPHNRHKI-ZDUSSCGKSA-N 412.560 1.063 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1594615540 JMMAXQAWAVVNOE-KRWDZBQOSA-N 415.542 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595796979 CWFATYUAMZCHAA-KRWDZBQOSA-N 421.567 1.738 30 10 HDEE C#CCN(CC(=O)NC1CCN(c2nc(C)cc(O)n2)CC1)C(=O)OC(C)(C)C 1597293237 QEOYNRRWEGBXPJ-UHFFFAOYSA-N 403.483 1.446 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@H]1C 1602849407 IAEXLGWYRWJRAC-HRAATJIYSA-N 411.510 1.535 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C#N)o1 1612653449 KIXIGVUOXPQVNO-AWEZNQCLSA-N 401.430 1.997 30 10 HDEE O=C(CN1CC[C@@H]2CS(=O)(=O)C[C@H]2C1)NCC#Cc1cccc(C(F)(F)F)c1 1620560064 JVWPWCDYHPCUMU-HZPDHXFCSA-N 414.449 1.540 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)cc1 1621774626 FWEBZACBRPCJFE-FQEVSTJZSA-N 411.527 1.844 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)c1ccc(C#N)s1 1622661723 NFWGTEIBFRIWIM-LBPRGKRZSA-N 401.510 1.876 30 10 HDEE Cn1cc(CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(-c2ccc(C#N)cc2)n1 1624986609 MQIJVZDPSOIAEG-QZQOTICOSA-N 404.430 1.491 30 10 HDEE COC(=O)c1cc(Br)c2[nH]c(NC(=O)[C@@H](C)n3cnc(C#N)n3)nc2c1 1627586609 DXTNRFMPRFBASK-SSDOTTSWSA-N 418.211 1.775 30 10 HDEE C=C[C@@H](C)ONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1631874570 XZMHEAPKKYFZHG-ZYHUDNBSSA-N 423.413 1.240 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC[C@H](n4cncn4)C3)C2)C1 1633382359 JCKNUXTYLQAGPC-SIRSKZSMSA-N 400.483 1.838 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccnc2-n2cc(Br)cn2)CC1 1635737816 ZJCLUKQLSYWADF-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE C#CCN(CC1CC1)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1636500039 WHMIHPUHXOFHJJ-IXDOHACOSA-N 410.536 1.528 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1 1636756172 ODYPEHGNZFSLAG-VEGAHXMMSA-N 409.490 1.826 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CCO1 1637886500 SEKYBTNSJTWPAD-ROUUACIJSA-N 400.479 1.961 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c1 1637915513 DMHXRJJLQIIMPZ-ICSRJNTNSA-N 401.484 1.698 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H](Cc3cccnc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1637921651 CNZXTAQJMKJCIS-CMKODMSKSA-N 402.520 1.763 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)cc1F 1639271300 GUWVQEVYTGDRJV-INIZCTEOSA-N 420.803 1.780 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)C(=O)OC 1639558377 ITTOZKPRCMKSFY-MSOLQXFVSA-N 405.426 1.215 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCO[C@H](c3c(F)cccc3Cl)C2)C1=O 1639880984 SRNQLTGFTUGAQW-ZDUSSCGKSA-N 409.801 1.356 30 10 HDEE C#CCN1CCC(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1 1640429331 QYGHGZAQDZAXMJ-UHFFFAOYSA-N 408.480 1.125 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)[C@@H]1c1cccc(C)c1 1640636888 OORWPSGBNPMFOM-MJGOQNOKSA-N 421.457 1.122 30 10 HDEE Cc1ccc(C(=O)NCc2cc3ccccc3nc2O)cc1S(=O)(=O)NCC#N 1640859628 XASIBBXVCSJWPM-UHFFFAOYSA-N 410.455 1.981 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N[C@H](C)CO)cc2)cc1 1640953579 OBUYTBFCJHNZKP-OAHLLOKOSA-N 402.472 1.288 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)CC(C)(C)NC(=O)OC(C)(C)C)cc1 1641376592 AWPTWRJPHRHFHA-UHFFFAOYSA-N 423.535 1.973 30 10 HDEE C#CCN(CC(=O)NCCn1cc(Br)ccc1=O)C(=O)OC(C)(C)C 1641610018 NSHUVPIOIOYFBZ-UHFFFAOYSA-N 412.284 1.597 30 10 HDEE COC(=O)[C@H](C)c1ccc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)cc1 1641636627 CXACTFRTTYTVJZ-CYBMUJFWSA-N 401.444 1.752 30 10 HDEE C[S@](=O)C1(C(=O)NCc2ccc(C#N)cn2)CCN(C(=O)OC(C)(C)C)CC1 1642036968 ATYAGXACLQJOAA-NDEPHWFRSA-N 406.508 1.718 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 1642570416 HLFQMMROSZDTBV-DLBZAZTESA-N 400.589 1.154 30 10 HDEE C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)Nc2n[nH]cc2C#N)C1=O 1643356730 NIHOWEJJZPXGFZ-MRXNPFEDSA-N 417.223 1.450 30 10 HDEE COc1cccc(Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1Cl 1652137009 ULTBGEIZMIGLLI-UHFFFAOYSA-N 405.838 1.934 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)cc1 1664045921 IXWSICLSNQZHLQ-UHFFFAOYSA-N 412.467 1.400 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1664254171 SFSCQSBCWKGODA-SNVBAGLBSA-N 406.689 1.803 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1 1671495757 WJYZFHSTBVTQKF-PBHICJAKSA-N 413.478 1.612 30 10 HDEE COc1cc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Cl 1673000248 GUIDMKLFHDPBOH-UHFFFAOYSA-N 403.826 1.292 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2oc3ccccc3c2C)CC1 1677246396 OROFTCSOSROTJG-HNNXBMFYSA-N 404.492 1.597 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2cccc(Cl)c2)C(F)F)CC1 1680207009 FHMSRMUBBOOPLG-AWEZNQCLSA-N 420.869 1.441 30 10 HDEE Cc1ccc(C2=NO[C@H](CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1681969678 POEGEHVYOBDXHP-BXWFABGCSA-N 402.476 1.068 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1 1684300842 VMXHAZBMSVCRPQ-LJQANCHMSA-N 401.507 1.964 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(CC)C2)CC1 1690111542 DNTAGLQRJLVMCH-OALUTQOASA-N 404.559 1.099 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOC2CCCCCC2)CC1 1690122214 KRLFMPAULYVMHR-IBGZPJMESA-N 414.554 1.724 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[S@@](=O)CC)CC1 1690133319 BQGDUFYRYIVLTP-LJAQVGFWSA-N 415.563 1.689 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2conc2COC)CC1 1690375826 VGGVDENYOOWJAZ-CQSZACIVSA-N 407.496 1.519 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1C[C@H](C)O[C@H](COC)C1 1690667263 XERHIMAVSYXSMT-GJZGRUSLSA-N 403.458 1.627 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690733637 JRZDUGKHSAEASA-MRXNPFEDSA-N 419.555 1.647 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1693018298 YLJAENGRZQDGPZ-MOPGFXCFSA-N 424.505 1.639 30 10 HDEE CCN(C)C(=O)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1695501456 FLAPOFLKDAHPCU-OAHLLOKOSA-N 411.514 1.257 30 10 HDEE CCN1CCN(CCCCn2c(C3CCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1695894820 IYQKAMIKKNPBNE-IBGZPJMESA-N 401.559 1.692 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1705551122 HBWXTGVKMINIOI-KRWDZBQOSA-N 421.498 1.062 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@]1(O)CCSC1)[C@@H]1CCS(=O)(=O)C1 1705567657 XZPZOEKOGOLTFB-CRAIPNDOSA-N 410.565 1.040 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CC(=O)N(C)CC)CC1 1705635788 LDHYPBOHHXFUDF-UHFFFAOYSA-N 406.490 1.925 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705892299 TXBCMUQGKSGKKY-KGLIPLIRSA-N 400.508 1.418 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC[S@@](=O)CC 1710735570 NWTXOZFITUKUCA-LJAQVGFWSA-N 417.539 1.176 30 10 HDEE CO[C@@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)C1CC1 1711566188 CVKMKAYANPWDOD-IRXDYDNUSA-N 407.540 1.735 30 10 HDEE CO[C@@]1(C)CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1711594776 PYXYWZCBAQQDAL-FQEVSTJZSA-N 407.482 1.899 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1cc(C)no1 1719899800 JDGMVPCMZJGFLS-RFSOPEBBSA-N 403.479 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1cc(CO)nn1 1722286382 HLZMCHWAQYYDQP-AWEZNQCLSA-N 409.450 1.306 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC(C)C)C1 1722316657 KWUKBHQFGVQVOV-QZTJIDSGSA-N 424.567 1.614 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCc1ccncc1 1722346508 ROADSJUURMVJAJ-UHFFFAOYSA-N 424.530 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1722437427 SWRRDNZOWNZHGQ-IBGZPJMESA-N 423.521 1.329 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(CC)CC)n2[C@@H]2C[C@H]2C)CC1 1722440379 DWOUBNSOUVMGHP-RHSMWYFYSA-N 400.527 1.743 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1722525097 MNBVCUKQVVWUFX-INIZCTEOSA-N 421.509 1.353 30 10 HDEE CC(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1722857153 STAZIQNQVZILRX-NRFANRHFSA-N 421.549 1.766 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccnc1-n1cccn1 1723589792 BCMBDLFWANZGHB-HXUWFJFHSA-N 423.456 1.487 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)COCCO2)CC1 1724011320 ZEGHZSRHOBXNCG-DNVCBOLYSA-N 423.539 1.116 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2ncccn2)CC1 1729153736 IQDGQYXAQQKCQI-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CC1CC1 1729240267 VXHBNZHCDVRWKV-GDLZYMKVSA-N 418.523 1.904 30 10 HDEE Cn1ccc(Cn2c(N3CCN(c4ncccc4C#N)CC3)nnc2C(C)(C)C)n1 1729581703 NKLBSPREJRBOKP-UHFFFAOYSA-N 405.510 1.951 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1731144496 DHOVFJVMGGTURQ-ZZJCVSNXSA-N 412.429 1.056 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@@]2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)C1 1733295055 USLMHKSINVZDDR-LHQQFIGISA-N 401.551 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1740554186 XCZDERZEFSYOKA-NVXWUHKLSA-N 406.552 1.845 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@@H]1CO 1740556908 GQPBDHMFBQPIFS-QZTJIDSGSA-N 402.543 1.095 30 10 HDEE C#CCCCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)NC)CC1 1740574228 FZIHEJHJWTTZIX-UHFFFAOYSA-N 401.540 1.899 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCOCC(F)F)[C@@H]1CCS(=O)(=O)C1 1740617411 QQPKWCCYGQSERF-ZIAGYGMSSA-N 404.483 1.700 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1740624811 LVRNKOIDNRPSDM-ROUUACIJSA-N 405.568 1.199 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 1740715796 NZEJORUNWKJQCW-QGZVFWFLSA-N 424.534 1.512 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1CCN1CCN(C)C(C)(C)C1 1740925346 BTWXMLNEAMNJKQ-UHFFFAOYSA-N 415.586 1.719 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740947704 BHQXUXAQUMLNLR-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1740963650 SEIHVPWVBYFRDO-NRFANRHFSA-N 412.494 1.169 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C(C)C)N2CCOCC2)C1 1740980351 JELFEGPCOQYCFZ-AQNXPRMDSA-N 419.570 1.920 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1C1CCC1 1740985295 FQDGUHBNPFINLT-KRWDZBQOSA-N 421.567 1.884 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1741142328 LEVNRJFZGSFVFJ-CHWSQXEVSA-N 417.495 1.449 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1743880594 AFMURDJJNODING-IERDGZPVSA-N 415.542 1.949 30 10 HDEE CC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)OC 1744123800 CTYPEDOIBGSYSV-IAGOWNOFSA-N 403.508 1.865 30 10 HDEE C#CCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCC)CC1 1748709250 RRCNJQYPUUNWHA-UHFFFAOYSA-N 419.533 1.878 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1748928963 CCMVDKYOWYANRG-HNNXBMFYSA-N 415.585 1.214 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)CN1CCCC1 1748948550 QYVPNAORNNKLGH-SFHVURJKSA-N 402.543 1.332 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN2CCC(C)CC2)CC1 1748989736 CNPSGNRGLSSPAU-HXUWFJFHSA-N 400.571 1.659 30 10 HDEE COCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1749273336 IFOKXLQXVJHOSO-KBXCAEBGSA-N 412.560 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](C(=O)NC)C1 1749657620 CMXWTZPFEUVAMQ-GOSISDBHSA-N 410.522 1.772 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC(=O)N(C)[C@@H](C)C2)cc1 1749684136 RBJQSHXWAJAPNA-MAUKXSAKSA-N 424.505 1.509 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1751165213 NRCWBCVTSPBWOS-OPYAIIAOSA-N 424.549 1.992 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCN(C)C 1752727276 AFJZSOJFNMHONK-OAHLLOKOSA-N 413.526 1.905 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1760187920 LZDIPYGRSZYJON-HNNXBMFYSA-N 423.539 1.307 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2ccc(N3CCC(CO)CC3)cc2)CC1 1760256144 DNJPNIRFQOLUSO-UHFFFAOYSA-N 408.550 1.599 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC2([S@@](C)=O)CC2)CC1 1760263200 RHGFBACRVRPLCZ-MUUNZHRXSA-N 418.592 1.300 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C)C(=O)[C@H]1C 1760325693 RSNFBMMFMZHGMH-KPFFTGBYSA-N 410.522 1.912 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1760451262 DDYPEZADSKAKKP-UHFFFAOYSA-N 420.535 1.705 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1760524711 GYDZNHRKNDKYRN-UHFFFAOYSA-N 402.421 1.038 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760526554 BTHIBNFUBKUPPO-UHFFFAOYSA-N 400.527 1.372 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCS(=O)(=O)C2)C1 1760540407 IGVMAGJYBQUGIG-CVEARBPZSA-N 403.508 1.556 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1760695576 JYBVFPMVMILOHC-CQSZACIVSA-N 410.457 1.815 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC2CC2)CC1 1766932552 MWQZHZRWGXJLOG-UHFFFAOYSA-N 423.565 1.927 30 10 HDEE CN(C)C1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@@](F)(C#N)C2)CCOCC1 1768486749 FVTWNRUCFICIJK-GOSISDBHSA-N 402.478 1.231 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOCC1(C)C 1769994141 HTJWAWBGVGIZRL-JXFKEZNVSA-N 424.521 1.555 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CC2(O)CCOCC2)CCO1 1771536984 GABLCYLDOYZJBY-KRWDZBQOSA-N 417.897 1.793 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(OC)CCCC1 1772564702 UGFAAADWYFPZME-HNNXBMFYSA-N 413.544 1.192 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)COc3ccc(-n4cnnn4)cc3)CC2)c1 1849810298 DYVWAWMKXXLIGW-UHFFFAOYSA-N 419.445 1.625 30 10 HDEE N#Cc1cnc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(Cl)c1 1852019970 BAXOEANUOAJBGC-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)C1 1852674964 XVTABOGSOWLTPY-IAGOWNOFSA-N 400.479 1.598 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)N2CC=CC2)cc1 1852854771 JTUDGYVELJYSKQ-HXUWFJFHSA-N 411.483 1.855 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N(C2CC2)S(=O)(=O)N(C)C)c2ccccc21 1853084939 ZVWACLRDMQEDSC-UHFFFAOYSA-N 406.508 1.871 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)C(=O)C2)C1 1853632928 PQTUWAWLHNJJHZ-ZDUSSCGKSA-N 422.411 1.293 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3coc(-c4ccc(F)cc4)n3)C2)CC1=O 1853645790 JRCWMQFJNISORI-SFHVURJKSA-N 411.437 1.639 30 10 HDEE CC(=O)N1CCC[C@@H](CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)C1 1854721902 BFJDBHDDSVQGQF-UTKZUKDTSA-N 410.518 1.809 30 10 HDEE CC(C)(C)c1csc(CN2CCN([C@@H]3CCCN(C(=O)CC#N)C3=O)CC2)n1 1854935505 PEPFQNJVFIZMJJ-OAHLLOKOSA-N 403.552 1.989 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2)CC1 1855014391 FKUJMFJYVKHGQJ-WMZOPIPTSA-N 401.511 1.591 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)[C@H]3CCOC3)C2=O)CC1 1855592104 BASYUFOYNYTTOP-RBUKOAKNSA-N 412.490 1.598 30 10 HDEE Cc1cnc(C(=O)N2CCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cn1 1855961427 NENAURMLCVFBPT-SFHVURJKSA-N 405.462 1.005 30 10 HDEE CN1CC[C@H](N2CCC([C@@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)C1=O 1856316867 SSLUKRSJXVYGDU-UXHICEINSA-N 408.502 1.419 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2ccc3ncccc3n2)C1=O)[C@@H]1CCN(C)C1=O 1856728404 HITPJZCIVRYXFX-RBUKOAKNSA-N 407.474 1.480 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 1857067235 XHCDZXIDVJGFDX-IBGZPJMESA-N 405.458 1.525 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@@H]1CCN(C)C1=O 1857227803 GTHMZGYUTXOPJO-GOEBONIOSA-N 404.898 1.371 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccnc(OCC)c2)C1)[C@H]1CCN(C)C1=O 1857261252 CMUHHQCOGVYQMI-RDJZCZTQSA-N 400.479 1.188 30 10 HDEE CC(C)n1nc(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)ccc1=O 1857281220 ISTGBXSGAYCXPW-IAGOWNOFSA-N 411.506 1.829 30 10 HDEE C[C@H](C(=O)N1C[C@@H](CN2CC(Oc3cccnc3C#N)C2)CCC1=O)n1cccn1 1857464380 BEFJVSAMIOUGKY-HZPDHXFCSA-N 408.462 1.239 30 10 HDEE C[C@@H](O)CN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(O)c(O)c1 1862752253 WDGPKZCWMRKPKZ-QGHHPUGFSA-N 414.370 1.965 30 10 HDEE C=CCn1cc(OCC(=O)NCc2ccco2)c(=O)cc1CN1CCC(CO)CC1 1870537634 JOFDPIWMOLMZHJ-UHFFFAOYSA-N 415.490 1.527 30 10 HDEE Cc1ccc(O)c(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CC(=O)N(C(C)C)C2)c1 1874337912 LIJVITGNLKLLHP-YYBSAPHASA-N 416.507 1.476 30 10 HDEE N#Cc1ccc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1F 1889298192 OBJLCCZBZHOYHZ-UHFFFAOYSA-N 411.441 1.249 30 10 HDEE CC(=O)Nc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1889466208 MWGFZFALJOLSQN-UHFFFAOYSA-N 412.534 1.517 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1 1890155604 PRUXPFSSGFHYDB-UHFFFAOYSA-N 414.506 1.857 30 10 HDEE C[C@@H](C#CC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 1902010078 TWIATOZMAFRZGF-GJZGRUSLSA-N 423.510 1.486 30 10 HDEE CC(C)(C)OC(=O)N1CCC(N2CCN(C(=O)C#CBr)CC2)CC1 2006203215 NPQMFCIXQCUWOF-UHFFFAOYSA-N 400.317 1.886 30 10 HDEE C[C@H](NS(=O)(=O)C[C@@H]1CCC1=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186629028 NYBSKHYMSXSZLD-QWRGUYRKSA-N 400.331 1.402 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)[C@@H](CO)C1 2217454009 PTXIPZUMIAGTOY-MRXNPFEDSA-N 419.331 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2247801890 IUXZCPZFOBLIFE-SVGFKBNWSA-N 420.315 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCCC#CBr)C1 2249999608 XTHCCUIVDIKKET-LBPRGKRZSA-N 423.329 1.273 30 10 HDEE CN(CCC(N)=O)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267702108 AVGXQTQAFMXCCX-UHFFFAOYSA-N 408.738 1.197 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]3(O)CCOC3)cc2Cl)OC1(C)C 2282306084 IJUCBIOVJFCYME-HNNXBMFYSA-N 423.749 1.130 30 10 HDEE CCOC[C@H](O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282323700 FUEGASZDHZSWJF-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282331617 PPNXZWJEACFYGU-STQMWFEESA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](CCO)C(F)(F)F)s2)OC1(C)C 2282351758 FTZDMDKTRJXDDM-SECBINFHSA-N 415.264 1.639 30 10 HDEE CN([C@H]1CCCNCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489579 FCDVAHSDCGBRQI-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282494766 BWSMKEMYGBZIRD-LBPRGKRZSA-N 401.721 1.855 30 10 HDEE C[C@H]1C[C@@H](C)NCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282497992 XMNLEDZBAIDXJV-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1CO 2282502862 QPKWQMOQWKBCJQ-OCCSQVGLSA-N 401.359 1.580 30 10 HDEE COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504183 LFNDULXZPWTRGH-SNVBAGLBSA-N 403.693 1.479 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@](C)(N)C3)ccc2Cl)OC1(C)C 2282505109 YVBHSXQKIYVJGB-QGZVFWFLSA-N 400.737 1.751 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(C)(=O)=O 2282633591 ALQGEVSMRVDULA-NEPJUHHUSA-N 401.359 1.941 30 10 HDEE C[C@@H](CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)S(C)(=O)=O 2282823579 WAUNOPKVWOGRIR-NSHDSACASA-N 401.721 1.802 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)O1 2282829396 DLYVFEHSOMCVLG-TXEJJXNPSA-N 402.347 1.381 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCSCCCO)OC1(C)C 2282841874 QVUYYXNGKOULIC-UHFFFAOYSA-N 421.415 1.582 30 10 HDEE CO[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282847417 YQSMCJHQIKLBME-AAEUAGOBSA-N 402.347 1.381 30 10 HDEE C[C@H](C(N)=O)N(C)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282873843 QVAQQVSZRVZEBG-SNVBAGLBSA-N 402.709 1.134 30 10 HDEE C[C@@H]1SC[C@@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393397 KGKXSELKWMGWNJ-ONGXEEELSA-N 419.355 1.584 30 10 HDEE CCN(CCC(=O)O)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284395318 KDCWKYLFSJZUST-UHFFFAOYSA-N 404.319 1.069 30 10 HDEE COC[C@]1(C)C[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284686366 YHBFOMOOAVVQLK-SJCJKPOMSA-N 401.359 1.998 30 10 HDEE CCc1nsc(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n1 2288804346 AYGCYLYKXPRPRN-UHFFFAOYSA-N 415.371 1.940 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2290404809 MTNHVASVMNCRGU-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)CN(C)C(=O)OC(C)(C)C 2365201446 ISSZKLWGVSUOLS-KXBFYZLASA-N 404.573 1.799 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](C[C@H]1CCCO1)NC(=O)OC(C)(C)C 2365201551 ACEQWZOSMUPYCW-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCOCC[C@@H]1NC(=O)OC(C)(C)C 2365209368 FVUGQWCYRKEDHL-OAGGEKHMSA-N 402.557 1.721 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367789997 FQFWRYGHGMLJHF-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(NC(=O)OC(C)(C)C)CCCOC1 2367800207 HUARJNXUGZXZGR-HNAYVOBHSA-N 400.541 1.619 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1(C)C 2367807227 RIHBDTTWHMWBKO-IFXJQAMLSA-N 400.541 1.435 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@](C)(COC)NC(=O)OC(C)(C)C 2367807755 WSSMZRQQUHDMDO-QAPCUYQASA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367808357 CADKATHLKDTSKP-DNVCBOLYSA-N 402.557 1.457 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367831624 SPUHWIKSAUAQMD-VCBZYWHSSA-N 400.541 1.291 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@H](CCSC)NC(=O)c1ccccc1OC 6407785 JUFZXHGLWQPQCW-AWEZNQCLSA-N 423.491 1.102 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC(OC)OC)C2=O)cc1 96567184 XQOYPUSRMNLSQH-FQEVSTJZSA-N 405.451 1.144 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCC(=O)O)C(=O)[C@]12C 103029565 IQMXQTINOPSJMU-ZTVSIKPCSA-N 401.371 1.243 30 10 HDEE COC1=CC[C@@H]2C[C@@H]3O[C@H](OC)C[C@H]4[C@]3(C)[C@H]([C@@H](O)[C@@H](OC)[C@@]4(C)O)[C@@]2(C)C1=O 257396985 CMAMLOVJSUVTPI-HCXDEXAESA-N 410.507 1.656 30 10 HDEE C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC1=O 429471223 NUWLMSWRHVGJGV-ZMYBRWDISA-N 409.490 1.928 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C3CCC3)c2=O)c1 431014612 OICJCXSDGGHEER-UHFFFAOYSA-N 424.526 1.472 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(CCC#N)c1ccccc1 441190606 STZDCXLJTYKBGW-SXXASDTRSA-N 413.474 1.747 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 446910521 LONQJUCDXUGDFF-CQSZACIVSA-N 402.398 1.918 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3ccc(CN4CCOCC4)cn3)CC2)c1C#N 461196267 QTSQYFXYEMTDNH-UHFFFAOYSA-N 412.519 1.513 30 10 HDEE CCS(=O)(=O)NC1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1 462085540 BPMKAUNKWHFTNH-UHFFFAOYSA-N 403.468 1.075 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)cn1 462100034 ZFMSNQSBWBGKKJ-IBGZPJMESA-N 413.507 1.468 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1OC)c1ccc(OC)cc1OC 472617408 RFRCQQYTWIXKIS-SFHVURJKSA-N 420.443 1.777 30 10 HDEE N#Cc1ccc(N2CCO[C@@H](C(=O)C3CC3)C2)nc1N1CCO[C@@H](C(=O)C2CC2)C1 480174410 AWQIRMZXERVJMO-QZTJIDSGSA-N 410.474 1.322 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(Cc3cccc4ccccc34)n2C)CC1 507930494 MFPLEPOAKQACJD-UHFFFAOYSA-N 404.518 1.983 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CCOC)[C@@H](C)C1 508478020 OTQYKFREXASNLB-HNNXBMFYSA-N 409.494 1.937 30 10 HDEE CC(C)N(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 512688434 INJPCBGXVGIMEH-GOSISDBHSA-N 407.540 1.749 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NCCN2CCN(C(=O)C3CCC3)CC2)c(F)c1 531809954 WOVQLQSNXSYIAM-UHFFFAOYSA-N 412.462 1.059 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 534756508 KAGZJRZUFKAIJD-YSSFQJQWSA-N 412.515 1.787 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)COc3ccc(F)cc3)CC2)CCCC1 545389410 WKTYJMWIGKJUSX-UHFFFAOYSA-N 409.483 1.762 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3ccccc3CN3CCOCC3)CC2)n1 545471734 OVWJKLZQKSMRLC-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)cc2C)n1 546876784 UJTQYJAUKZHWDQ-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 555330436 ZNMYGCRUMKHVCY-AEFFLSMTSA-N 415.490 1.225 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OCC)n2)CC1 569829638 LYRZNDXZMRBLTO-UHFFFAOYSA-N 409.498 1.770 30 10 HDEE CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586858815 HKUMACLKUDSYPP-GFCCVEGCSA-N 418.450 1.099 30 10 HDEE Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 586860256 AHHIHLYQOPQKNU-CQSZACIVSA-N 417.462 1.601 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](CSCCOc2ccccc2)C(=O)O)cc1C#N 589974771 GNNLVHSJKTXDAY-QGZVFWFLSA-N 421.500 1.805 30 10 HDEE Cn1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C(F)(F)F)n1 590157758 IRBWRWLBBULHNA-UHFFFAOYSA-N 400.386 1.216 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cnn(-c3ccccn3)c2N)cc1 590200326 XVHYQCPHPNJNPD-INIZCTEOSA-N 419.470 1.875 30 10 HDEE CCN1CCN(C(=O)C(C#N)=c2sc(=Cc3ccccc3)c(=O)n2CC(C)C)CC1 603795589 AQKHGOQHDZHTAP-UHFFFAOYSA-N 424.570 1.233 30 10 HDEE CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)s1 612802338 BULDTMVCVRYBNN-CYBMUJFWSA-N 419.532 1.723 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 669753065 IHYGIVBSQLRBMU-RDJZCZTQSA-N 418.519 1.885 30 10 HDEE C#CCN(C(=O)CCc1ncc(-c2ccc(OC)cc2)o1)[C@H]1CCS(=O)(=O)C1 729334920 DKMKMHOXDBBQTA-INIZCTEOSA-N 402.472 1.932 30 10 HDEE C[C@@H](OC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)N(C)CCC#N 744781081 MCRIIALGSVNCJR-KGLIPLIRSA-N 413.521 1.595 30 10 HDEE CCS(=O)(=O)c1ccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)cc1 747496865 SADLABJRYGMUNM-UHFFFAOYSA-N 401.444 1.615 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)COCC(=O)NCc2cccnc2)CC1 750047248 LBCJYMAJJDMZGR-UHFFFAOYSA-N 407.474 1.371 30 10 HDEE Cn1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c2ccccc2c1=O 756890034 ASWLNMJUICNGLG-DYVFJYSZSA-N 411.462 1.351 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCC(=O)Nc1cc(-n2cnnn2)ccc1F 761070709 JQNWNRSIIZJFPO-LBPRGKRZSA-N 410.365 1.622 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 765145676 LDWFLINRTLACBS-UHFFFAOYSA-N 403.419 1.925 30 10 HDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 768786836 URXJRZYBKBSMCG-UHFFFAOYSA-N 413.209 1.686 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)c1 773066138 RBBHDERRZWZOOZ-HOCLYGCPSA-N 409.508 1.748 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1OC 780916940 CBWDDLYXFFCVCT-LJQANCHMSA-N 409.442 1.593 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC=CC[C@H]1C(=O)N1CCOCC1 784508830 ALESQTNSIZINJA-DLBZAZTESA-N 417.487 1.113 30 10 HDEE C#CCOCCC(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-] 788056769 LKVFUHKNGWAUCI-UHFFFAOYSA-N 409.189 1.341 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)CC)ccc1Cl 795072885 NEIHLLMDNPDWHH-CYBMUJFWSA-N 403.909 1.744 30 10 HDEE CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](C)n1cnc(C#N)n1 798354915 QONCKVQNIKADJI-OAHLLOKOSA-N 411.466 1.035 30 10 HDEE C[C@@H](C(=O)NCCF)N1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 799859306 OOUYQKNJEWJJEB-NHYWBVRUSA-N 424.473 1.900 30 10 HDEE C#Cc1cc(F)c(NC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)c(F)c1 802567935 GYNDVASEQRBFAT-UHFFFAOYSA-N 400.385 1.433 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)C(=O)NCc3ccc(C#N)cc3F)C[C@@H]2C1 804162964 XZPSXCDVOHWSEU-IYBDPMFKSA-N 416.453 1.639 30 10 HDEE COc1ccc(CN/C(=N/CC[C@@H](O)C(F)(F)F)NC[C@@H](O)C(F)(F)F)cc1 864236252 DNMVXZQVVNUIGQ-CHWSQXEVSA-N 417.350 1.967 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1 1124190013 READZDIJOQUONO-GJZGRUSLSA-N 419.507 1.904 30 10 HDEE COc1ccc(Br)c(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1134275150 HTMSAEYETSHXLX-LRDDRELGSA-N 413.293 1.397 30 10 HDEE COc1cccc([C@@]2(C)NC(=O)N(NC(=O)C(=O)/C=C\c3ccc(F)cc3)C2=O)c1 1139683891 LBODBMHNGMFLOQ-ZRKSWWEUSA-N 411.389 1.915 30 10 HDEE CC(C)[C@H](NC(N)=O)C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1141877681 AJVKFTSHHQCMGP-CSUZIONRSA-N 423.539 1.911 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)C1 1150000425 KWPNVXCMFCXHEH-ZDUSSCGKSA-N 400.426 1.463 30 10 HDEE C=C(C)CONC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 1164450774 GCQIZAFBICLMIN-AWEZNQCLSA-N 424.928 1.046 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1165488823 DZBRGLLESDODGR-IBGZPJMESA-N 415.471 1.231 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C[C@@H](O)COc2ccc(CC#N)cc2)cn1 1176167128 NITCUERATKOIFN-UYAOXDASSA-N 418.519 1.088 30 10 HDEE CC(C)(C)c1nc(CN2CCN(CC#CCN3C(=O)c4ccccc4C3=O)CC2)no1 1191753518 LVRXESQCQCKDSD-UHFFFAOYSA-N 421.501 1.784 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCCC[C@@H]2CS(N)(=O)=O)ccc1C(F)(F)F 1193653435 CFZCOXANNJPMMD-LLVKDONJSA-N 411.427 1.409 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@H](c3nccc(C(F)(F)F)n3)C2)CC1 1198251698 KLALRALPMUQDJM-HZPDHXFCSA-N 424.471 1.977 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)cc1 1211897577 ZKWGWMILRFJZRO-UHFFFAOYSA-N 420.512 1.618 30 10 HDEE C#CCN(C(=O)NCCCN1CCN(C(=O)OC(C)(C)C)CC1)C1CCN(C)CC1 1220863429 ROQOQNMHDOWEBP-UHFFFAOYSA-N 421.586 1.668 30 10 HDEE C#CC[C@@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(Br)c(C)c2)C1=O 1225797276 MDZKEIXFMKBDHQ-BBRMVZONSA-N 408.296 1.936 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248374850 FVKJKELSDNDSNR-OAHLLOKOSA-N 413.507 1.101 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)c3ccccc3OC(F)F)CC2)C1 1248675935 IQHWODFGAOSDNK-MRXNPFEDSA-N 420.460 1.853 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259106949 USSRAWZQUAUOMT-STQMWFEESA-N 415.899 1.860 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)Cn2cccc(C(=O)OC)c2=O)cc1 1264609571 WBOQMPLWYOFNGT-UHFFFAOYSA-N 419.459 1.080 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(=O)n(C)cc1Br 1266190691 GEWWMDSMVRDLIL-LLVKDONJSA-N 417.267 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1286284450 CRCPVLZCGVFVJA-AWEZNQCLSA-N 400.508 1.824 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN(C)CCOC 1286288042 FWIJQHMPDVNUHH-HNNXBMFYSA-N 402.499 1.432 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCC[C@@H](O)C2)CC1 1286473236 ZFCFAFXFPRPBBS-GBESFXJTSA-N 405.543 1.308 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCO[C@H]2C)CC1 1286475697 GSOICNDMDUEAIU-JTSKRJEESA-N 411.506 1.249 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCS(=O)(=O)C2)CC1 1286665175 VFESCWUYTHVJFV-MRXNPFEDSA-N 407.540 1.238 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCS(=O)(=O)NC 1286749777 YVWKPKANRSIZHS-AWEZNQCLSA-N 411.553 1.585 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1COCCO1 1286767397 QZYGEQADKLCCDL-MRXNPFEDSA-N 402.451 1.728 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)CSc1ccc(S(N)(=O)=O)cc1 1292771641 GGFLUQWGBITLTR-UHFFFAOYSA-N 419.528 1.973 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)Nc3cn[nH]c3)C2)c1 1298230040 DKROBEDCPKQMFK-HNNXBMFYSA-N 400.460 1.308 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1298577291 DXYZXYVPMQNODG-NZKCYVOASA-N 416.482 1.129 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C(C)C)CC1 1300357171 JECZNVMYUOCAOG-KRWDZBQOSA-N 400.527 1.727 30 10 HDEE C#CCCCCn1c(N2CCO[C@@H](COC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300375683 AGEWPVQXDVBNAG-NQIIRXRSSA-N 406.527 1.974 30 10 HDEE C#CCCCn1c(Cn2ccc3ccccc32)nnc1N(C)CC(=O)N1CCOCC1 1300419211 HYUUVLJKMNAQDK-UHFFFAOYSA-N 420.517 1.990 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1300425782 XHHXKSNFBULGEH-UTKZUKDTSA-N 403.527 1.695 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1300493221 SOOZJPBSQGITSP-AWEZNQCLSA-N 412.466 1.351 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCS(=O)(=O)C1 1300536180 FZYYCFCCKULKFI-HOTGVXAUSA-N 417.535 1.908 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCCC1(C)C 1300579166 SDAKZQDNZZBVCI-DYESRHJHSA-N 418.563 1.584 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CC23CCOCC3)CC1 1300730784 FKANYAYXXMWTNE-GOSISDBHSA-N 415.538 1.597 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)OC[C@@H]2C1 1301000232 NRFQZQWVLNIOIY-KRWDZBQOSA-N 415.498 1.373 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1301237393 RHKLWVOYZPSQMF-FQEVSTJZSA-N 418.498 1.138 30 10 HDEE CC(=O)NCCCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301929859 OQYDCVKKGHFGED-GOSISDBHSA-N 413.551 1.633 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1302095164 DHOGJPKTPONVHJ-VIPLHTEESA-N 421.498 1.069 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCSC1 1302273239 VVXMZOZGLWBZPR-TXPKVOOTSA-N 407.540 1.610 30 10 HDEE CC(C)c1nnc(N(Cc2ccnn2C)C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1302598844 VCWOZKSEPXIQSB-CZIZESTLSA-N 424.509 1.830 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1COC2(CCC2)C1 1303052228 JZVWISGDZIPHHV-HOCLYGCPSA-N 405.520 1.968 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1303636832 RCUHFEHXEJRPHA-KBPBESRZSA-N 405.503 1.882 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](CC)N1CCCC1 1305789536 FEHPPHSPRSUFME-MSOLQXFVSA-N 417.558 1.800 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2c(F)ccc(Br)c2F)c(=O)n1CCO 1307389776 XOQYXXJTZNRXLM-UHFFFAOYSA-N 400.179 1.271 30 10 HDEE N#CC1(C[C@H](O)CN2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CCOCC1 1307467146 YBMIYMJEHBQGQL-LEWJYISDSA-N 412.534 1.481 30 10 HDEE N#Cc1cn(CCNS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c(=O)nc1O 1309695882 CULYDBPJDDSYCC-UHFFFAOYSA-N 403.247 1.247 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)cn2)C1 1310878155 ZGKMZPBNZPCLPR-CQSZACIVSA-N 422.327 1.900 30 10 HDEE CN(C[C@@H]1CCCOC1)c1nnc(COc2ccc(C#N)cc2)n1Cc1ncn(C)n1 1314806909 CKOPLEREMZSXSR-KRWDZBQOSA-N 422.493 1.768 30 10 HDEE CO[C@@](C)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1)C1CC1 1315142980 HDWPFUVRMFSTQF-FQEVSTJZSA-N 415.519 1.867 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C1 1315694625 DSZIPGSVQWRZAA-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)CN1CCCC1 1316296891 DCHZBGRAKXMRMU-VJANTYMQSA-N 418.542 1.463 30 10 HDEE CSCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1316474716 QBXXZZDADWGIEP-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](Cc2ccc(F)cc2)C(N)=O)CCO1 1316539809 QMQJFCRQCXIDKY-WBVHZDCISA-N 423.452 1.485 30 10 HDEE C[C@H](CONC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1)NC(=O)OC(C)(C)C 1320886535 LAYYGVODISACCU-UKRRQHHQSA-N 402.451 1.872 30 10 HDEE C[C@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccc(N2CCOC2=O)cc1 1321743838 CNNYCJKADIKCDV-FKEVTRRJSA-N 413.434 1.530 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)C1 1324443642 KKLDFKLDRWXIDR-OAHLLOKOSA-N 402.538 1.587 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1325220955 SLZWVTVWZVWFSM-OAHLLOKOSA-N 410.492 1.133 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)c2cn(CCO)nc2C2CCOCC2)c1OC 1328858238 OUNKAERPXFCVAV-KRWDZBQOSA-N 414.462 1.781 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@](C)(O)c1ccco1)[C@H]1CCS(=O)(=O)C1 1358963442 IESUYHDPTMQITA-JXFKEZNVSA-N 420.535 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC[C@H]1C 1358984363 RQNWPAYVGVHITE-GOSISDBHSA-N 405.506 1.873 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)O)CC1 1359028380 PYVOUNBDNJHQBX-UHFFFAOYSA-N 410.522 1.673 30 10 HDEE C=C(C)Cn1c(-c2cn(C)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1359120632 NYBQAZZEIDJODH-UHFFFAOYSA-N 402.524 1.998 30 10 HDEE C=C(C)COCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(C)OC 1359128486 VTFGXZIZUPFXGG-UHFFFAOYSA-N 409.512 1.786 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1359131141 IXDNIMMYZORYLD-GOSISDBHSA-N 412.498 1.373 30 10 HDEE CC(C)N(C)CCCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@@H](C#N)C1 1360101174 HETHAQSQBYICBK-IBGZPJMESA-N 422.537 1.976 30 10 HDEE C#Cc1cccc(N(C)C(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)c1 1435054470 HFQFAHHOIQGWPJ-UHFFFAOYSA-N 405.497 1.763 30 10 HDEE COC[C@@H](CCO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1446074676 HUBIYWDKDBHTDK-AEFFLSMTSA-N 403.479 1.906 30 10 HDEE N#Cc1cn(CCNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c(=O)nc1O 1453826287 GFOVPSTWTYNLLK-UHFFFAOYSA-N 413.821 1.878 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2cncc(C#N)c2)C1=O 1456018412 HLVKDMMCMJBTBV-OAQYLSRUSA-N 407.430 1.354 30 10 HDEE COC(=O)[C@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1464781261 OQGYBEJZDKTGTJ-LJQANCHMSA-N 404.419 1.941 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1465849140 PNMICMBLLHBLKK-HXUWFJFHSA-N 403.483 1.797 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)c1 1466196275 BNLJDRBKZZXFPM-OAHLLOKOSA-N 416.421 1.767 30 10 HDEE CCOC(=O)CON=C(C(=O)NC1CC(OCc2ccccc2)C1)c1cc[nH]n1 1466710101 PJHSYKSOANIDQK-UHFFFAOYSA-N 400.435 1.558 30 10 HDEE C=C(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1468245186 QOOAAYXBQTYMHH-UHFFFAOYSA-N 411.499 1.521 30 10 HDEE CCN1C[C@H](CNC(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)CC1=O 1469845430 PNEGIHFTNBPNTI-AWEZNQCLSA-N 410.434 1.970 30 10 HDEE C[C@](CO)(Cc1ccc(F)cc1)NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1470704708 QPDZEFHVQSQZQH-HXUWFJFHSA-N 404.463 1.722 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)c1 1472002393 WOKQIARARAOXFT-MRXNPFEDSA-N 409.529 1.713 30 10 HDEE C#CCSCCNS(=O)(=O)C[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 1474991277 YCYAGEANWHEAFJ-KRWDZBQOSA-N 412.533 1.310 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)CC1 1475696887 FABCEAUQIVXXKU-UHFFFAOYSA-N 411.593 1.829 30 10 HDEE CCc1nnc(N2CCOCC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499237745 FSTFYANYHZUWFU-ZCXUNETKSA-N 400.483 1.374 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@H]1C 1502320674 MMTQWRAKWHYNLT-ZHRRBRCNSA-N 407.522 1.825 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOC(C)(C)C 1504992943 BHAWLIPWBJNXGU-SJLPKXTDSA-N 420.558 1.994 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CSCCS2)C1 1505311606 BOVQCSOUEIQHAK-SUMWQHHRSA-N 410.544 1.805 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1505320593 OFRSWDYJHIQOED-IRXDYDNUSA-N 424.496 1.878 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCCS(C)(=O)=O 1507541974 OLGBZWOAYOYLHI-INIZCTEOSA-N 404.536 1.965 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccco1 1507588318 JFSMOYFDTSTMLL-INIZCTEOSA-N 407.496 1.254 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCOC(C)(C)C1 1507646505 VOYKVAZQSHMHNA-UHFFFAOYSA-N 421.501 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(O)CCOCC1 1507657501 YTURJRZWFIFVMH-UHFFFAOYSA-N 403.486 1.965 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)OCC)CC1 1507741486 UWQDTWPARHUTDO-UHFFFAOYSA-N 420.539 1.159 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1507863069 BBVYJSVTNCODHS-SJORKVTESA-N 421.977 1.586 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC[C@H](O)C1 1508040216 UPGWIHJVMQBYAH-ZACQAIPSSA-N 412.556 1.370 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1508073434 XRHTWCGEPJFWDL-WMZOPIPTSA-N 418.542 1.914 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1508073712 MBMMVQXLEPICBL-OAHLLOKOSA-N 417.901 1.401 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCOC[C@@H]1C 1508092695 FTWHAYDXZLFIBM-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE CC(C)(Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1508721523 FPFLOXHRYCDBAH-SFHVURJKSA-N 402.543 1.850 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1509947910 XFOKUSLJXGIZEG-LHSJRXKWSA-N 410.478 1.933 30 10 HDEE CCOCc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1516438002 DFYDDYGGQCVKPK-ZWKOTPCHSA-N 410.478 1.543 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC=C(COC)CC1 1517629323 WANLMKSXDQLCBP-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE COC[C@@H](F)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C#N)c1 1518728711 HJXMZOBLYIVVTH-BBRMVZONSA-N 424.502 1.381 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(C)n(C)c1=O 1519278087 OQBZXQUKQFEUFZ-YWZLYKJASA-N 418.473 1.500 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCCC2(CC2)C1 1519605451 AJFDXRQLXKHDCT-UHFFFAOYSA-N 400.508 1.746 30 10 HDEE C[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1520740818 ZLRZEHVVHPMLQJ-OWCLPIDISA-N 420.514 1.814 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1521475767 IORXMKFHFRZWFI-SFHVURJKSA-N 413.522 1.032 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)c1nccs1 1532077910 FOGADHWBOUEPDS-FQEVSTJZSA-N 412.471 1.894 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCN1CCC(C)CC1 1538975270 ZDEWVPZUUKOLGS-QZTJIDSGSA-N 424.615 1.858 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CC)C1 1539072162 MGANQIBQLQCIHU-IRXDYDNUSA-N 409.556 1.651 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539125494 NAMACJYSGBDYAD-HOTGVXAUSA-N 423.539 1.309 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539218956 ANUKLUVAYPBRKS-HZPDHXFCSA-N 419.551 1.292 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCSC1)[C@@H]1CCS(=O)(=O)C1 1539219204 BLPYAGQHDYSVHX-GVDBMIGSSA-N 424.592 1.552 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1539260605 RERXRQWCZCABTA-GOSISDBHSA-N 414.473 1.239 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(C(=O)N(C)C)CCCC2)CC1 1539469222 OYUYRMPZJYPMSY-UHFFFAOYSA-N 400.527 1.201 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539513388 NRYHUZMZAWBSLN-FQEVSTJZSA-N 400.552 1.941 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1539626559 FIWQWYHZYRNQIS-MPGHIAIKSA-N 424.496 1.598 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 1539888539 QRMFOFDHOFQHIX-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCCOCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1540028789 ULEAEHGEPNOKRI-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(CC=C)Cc1cccs1 1540869172 DROIFAYQNNEQBX-OAHLLOKOSA-N 400.508 1.786 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540876891 FJBFSYUXCXWYHR-RDHIYWLCSA-N 419.526 1.166 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2CC2(S(C)(=O)=O)CCCC2)C1 1540896458 MLEISCCYXNEUPE-INIZCTEOSA-N 412.556 1.953 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1540916489 CEMOSAHZQBPFAW-CQSZACIVSA-N 408.553 1.526 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1Cc1nnn(C)n1 1541798195 DCIIFMXNZIEQLO-CYBMUJFWSA-N 403.454 1.645 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)C1 1541989115 GUAJLRPDWFOXGY-OXQOHEQNSA-N 416.526 1.584 30 10 HDEE Cc1nc(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCNS(C)(=O)=O)cs1 1542918312 HMXOWXRRPJTEQP-KRWDZBQOSA-N 423.568 1.313 30 10 HDEE Cc1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(C(N)=O)CC2)n(C)n1 1542998882 HZXXURCKUYWGMD-UHFFFAOYSA-N 404.478 1.609 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)C(F)(F)c2ccccc2C#N)cc1 1544327825 MEUWVPPSHRHVBY-UHFFFAOYSA-N 423.441 1.891 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1555328098 DBVUTSJNZLGWGW-MRXNPFEDSA-N 421.461 1.701 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(-c2cnn(C)c2)n1CC(=O)N(C)C 1555544644 FQWGXODJQQPACN-UHFFFAOYSA-N 422.493 1.291 30 10 HDEE C[S@](=O)C1(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)CC1 1555820827 GKVMEWKRQLFGBJ-YBKRRLQSSA-N 421.473 1.787 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCCC2CCOCC2)CCO1 1555992000 CPIDAYMYEDLXRW-QGZVFWFLSA-N 402.499 1.450 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1 1558109882 DEEQHEQXRBVWFB-HZPDHXFCSA-N 416.927 1.316 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OCC)c(C)c([N+](=O)[O-])c1)C1CCOCC1 1561770472 JJTRSQXMNXVTNE-INIZCTEOSA-N 410.448 1.787 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)n1 1564198334 VIWCTUZKWCQTNU-UHFFFAOYSA-N 407.515 1.978 30 10 HDEE COCCc1ccc(OC[C@H](O)CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1565247704 UOJICUJODZGTPW-NHCUHLMSSA-N 409.486 1.953 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CN(C)C[C@H]1c1ccccc1 1565429368 SBPMXGKFWDOSJE-SXLOBPIMSA-N 419.533 1.914 30 10 HDEE Cc1sc2nc(CN3CCN(C(=O)NCC#CCN(C)C)CC3)nc(O)c2c1C 1565496531 KZHZADDXQQZTTD-UHFFFAOYSA-N 416.551 1.406 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCN/C(O)=C1/N=CC=CC1=O 1565629937 NBIKKYRIYHZCFY-MSUUIHNZSA-N 419.235 1.342 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C3CC(N(C)C(=O)OC(C)(C)C)C3)CC2)c1C#N 1567645709 FDGIQGVDYMDOTC-UHFFFAOYSA-N 416.526 1.894 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)s1 1569885468 STYKEHZYDPANJF-CQSZACIVSA-N 411.549 1.226 30 10 HDEE CN1CCn2nc(C(=O)N[C@@H](C#N)c3cccc(Cl)c3Cl)cc2S1(=O)=O 1584070693 GVBYWWJSNIFZQB-LBPRGKRZSA-N 414.274 1.819 30 10 HDEE CNC(=O)C1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCCC1 1584198575 IWITZVBPVQTWDA-RDYUPDBUSA-N 404.511 1.948 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(F)c(C(=O)Nc2nc3n(c2C#N)CCOC3)c1 1586254836 RHMMCAOFGIUOBJ-UHFFFAOYSA-N 407.427 1.363 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)C3(n4cc(Br)cn4)CC3)CC2)c1 1587911499 YVIIVPLWWQTMRU-UHFFFAOYSA-N 401.268 1.750 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOCC1 1588012012 RSNULVFKFGLUPD-UHFFFAOYSA-N 402.524 1.061 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588049522 HVOXARTYEMJLAA-INIZCTEOSA-N 418.567 1.488 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1588074339 MAIIYFKFHOHYSP-WNRNVDISSA-N 422.551 1.571 30 10 HDEE COCc1nc2n(n1)C[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1588139034 CEXQVXYTKPZCHA-HUUCEWRRSA-N 420.514 1.833 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3cn(C(C)C)c(=O)nc3O)n[nH]2)c1C 1588230104 ALOFPBUDYIJQPL-UHFFFAOYSA-N 411.466 1.849 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CC1 1588769005 MZAMIXUXJKNFBW-QFIPXVFZSA-N 406.490 1.377 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccco1 1595789510 VFIYEMHIMPIYKU-HUUCEWRRSA-N 419.507 1.765 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1595939208 LPTKLWFCPKTXDE-KRWDZBQOSA-N 411.466 1.189 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1597323809 HPEZABSTVACQSQ-CTEOGUNLSA-N 410.467 1.061 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1611304164 WQSIPTFFIHUACG-CYBMUJFWSA-N 415.454 1.586 30 10 HDEE C#CC[C@]1(C(=O)NCCCN2CCCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1615925845 PKXMWEQDTSLZGN-JOCHJYFZSA-N 406.571 1.923 30 10 HDEE CC(C)n1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C2CCOCC2)n1 1616347439 PTSZFBFLWOARCW-CZIZESTLSA-N 401.467 1.614 30 10 HDEE CN(c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCOC1 1617733688 OAYZXOHZQHYQNV-IGGDJGDASA-N 408.462 1.697 30 10 HDEE N#Cc1cn(CCC(=O)NC[C@@H](CO)Cc2ccccc2C(F)(F)F)c(=O)nc1O 1622414250 CQZLZPZKYQUYKT-LBPRGKRZSA-N 424.379 1.197 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CC1 1624576958 HIJZNGZKGNJIBN-LJQANCHMSA-N 422.526 1.596 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)c1ccc(I)cc1-n1cnnn1 1624821437 MTIGPCJDDGMSCE-SNVBAGLBSA-N 410.219 1.889 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cc(Br)cc(N)c3N)CC2)c1C#N 1625299110 DBVGFNNNUCELGH-UHFFFAOYSA-N 418.299 1.490 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)c2cc(S(N)(=O)=O)oc2Cl)CC1 1627980368 NXZMTEVEBLZJPC-UHFFFAOYSA-N 408.867 1.805 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(=O)n(CCOC)c2)s1 1631634443 YTYYSPXFNUBXPF-UHFFFAOYSA-N 411.505 1.202 30 10 HDEE CO[C@H](CNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCOC1 1632612072 SQKHFJPZPXLLJI-HYVNUMGLSA-N 423.535 1.308 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 1632880765 ZDLUSBJLWIAWRS-QCSQODBISA-N 422.482 1.091 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)nc1=N 1633936352 VYUJXNIUXYPZAC-AWEZNQCLSA-N 405.503 1.521 30 10 HDEE Cc1cc(N2CCC[C@@H](NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)C2)n(C)n1 1634820246 ZSOAMWLWPVQJQG-GOSISDBHSA-N 408.510 1.496 30 10 HDEE N#C[C@]12CN(C(=O)CCCC(=O)c3ccc4c(c3)OCCO4)C[C@H]1CS(=O)(=O)C2 1636512999 YOGWDKRVHPVDLL-MGPUTAFESA-N 418.471 1.208 30 10 HDEE CO[C@H]1c2ccccc2C[C@H]1NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1638181119 XXFJQSGROLJIJM-XLIONFOSSA-N 413.499 1.934 30 10 HDEE COC(=O)c1ccc(N2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)c(C#N)n1 1639325648 GCNVWEITRFSULG-UHFFFAOYSA-N 401.511 1.660 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCOC3=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1639968768 NRLRXAVFJFAPQL-INIZCTEOSA-N 400.284 1.961 30 10 HDEE C=CCONC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 1640821013 FZEAYQJAFVOHRM-UHFFFAOYSA-N 403.460 1.971 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1 1643334077 MAQXFFQEZRLDBL-UHFFFAOYSA-N 412.409 1.912 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3nc(C#N)cs3)CC2)CC1 1643889126 LYMLSCNPYLOMQF-UHFFFAOYSA-N 420.539 1.805 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCCS(=O)(=O)c1ccccc1S(=O)(=O)CCC 1654503326 FGMHIBAYURIJDY-CVEARBPZSA-N 401.550 1.967 30 10 HDEE C[C@H](NC(=O)[C@H](C)N(C)CCc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1655381443 OUVKEQSCJRAJNA-HOTGVXAUSA-N 414.531 1.946 30 10 HDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)NCC1(C#N)CCOCC1 1657370118 CQNTUWCQWUBGGS-UHFFFAOYSA-N 417.509 1.055 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C[C@H](O)CC2(C#N)CC2)CC1 1657559217 KUVBFUABNXGIDQ-OAHLLOKOSA-N 413.927 1.710 30 10 HDEE C=C(C)COCCNS(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1660849580 UYBYAOPZIIIRRM-QZTJIDSGSA-N 412.508 1.535 30 10 HDEE CC[C@@H](CO)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1661894250 BIBUFSMDALVDQP-LBPRGKRZSA-N 420.304 1.537 30 10 HDEE C#CCCS(=O)(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1664329815 DAJVTAMXBKMTEI-NWDGAFQWSA-N 412.430 1.193 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3c2ccc(=O)n3C)c1 1664798507 JCTAYRLJNDQNGI-KRWDZBQOSA-N 401.488 1.657 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 1665882304 OOILYWCPZMSUPR-VLXJIEOASA-N 405.476 1.220 30 10 HDEE CC1(C)C(=O)N[C@@H]1C1CCN(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1671576925 ROZCDJRQLUGZDW-RBUKOAKNSA-N 423.517 2.000 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCN(c4ccnc(F)c4)CC3)C2=O)cc1 1672352206 FABWQDNMKVFPPR-LJQANCHMSA-N 422.464 1.725 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)C1 1676031230 VSNIVWPISTZEGK-HXUWFJFHSA-N 403.571 1.108 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C/C=C\CC)CC1 1690117376 FKLULMIWCRLCMA-WAYWQWQTSA-N 403.494 1.642 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2cccn(CC)c2=O)CC1 1690122636 XKHOKZIFSUHMHA-UHFFFAOYSA-N 417.517 1.634 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@@H]21 1690219312 BFFBOKALVTVSPU-SRVKXCTJSA-N 404.334 1.786 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCOC1 1690259423 IZNLLPFEONNAAV-HXUWFJFHSA-N 410.482 1.475 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690309910 NOSYQUUJZADIMQ-QGZVFWFLSA-N 423.477 1.357 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C(N)=O)cc1)C1CC1 1690545600 VBQSUYBCMUSRHH-INIZCTEOSA-N 415.519 1.482 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CC(F)(F)CO1 1692666109 BBZUARPYDGEMDX-DOMZBBRYSA-N 404.421 1.941 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1693930502 NQFBBDWMEDMIOS-DYESRHJHSA-N 411.510 1.884 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC(F)F 1698152625 YUPLFKFTRPAELG-SCLBCKFNSA-N 414.457 1.513 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1705538171 DWHUJPCTSAOBRU-SFHVURJKSA-N 414.554 1.803 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1705597130 XBQAYQZKIIFXHZ-UHFFFAOYSA-N 418.501 1.272 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCC(NS(C)(=O)=O)CC1 1705700192 PYDJPBWYESQSCO-DOTOQJQBSA-N 409.556 1.655 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705717619 NVFFACVNPCBKSQ-IRXDYDNUSA-N 411.572 1.856 30 10 HDEE C=C(C)COCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705740112 BQFSIBYGIZKEAH-QKLQHJQFSA-N 408.499 1.473 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1705830049 IMEIPJATGMJFCQ-RTBURBONSA-N 405.543 1.676 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1705875576 YSEYSHXYTVAYIZ-GOSISDBHSA-N 423.564 1.362 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCCCS1(=O)=O 1706749659 AEDJCIFEUOTVCL-DOTOQJQBSA-N 402.524 1.970 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1722280777 WQDSISVNJKNVLO-UONOGXRCSA-N 403.508 1.425 30 10 HDEE C#CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C)CN1CCN(CC)CC1 1722356941 MXFHPKLXVVVFRC-SFHVURJKSA-N 412.586 1.483 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1722371714 XSZMWROJNFQUKO-BRWVUGGUSA-N 408.524 1.325 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C(=O)NCC)CC1 1722437607 UTGGEQNZIRREQJ-KRWDZBQOSA-N 402.543 1.090 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@](C)(O)C(C)C)CC1 1722447647 KZSUTACQSYJJKO-AVRDEDQJSA-N 417.554 1.893 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](OCC2CC2)C1 1722458129 DGLRCGSNIAQXLP-IRXDYDNUSA-N 403.552 1.991 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC(C)(C)C 1722500501 IWLBMCGUCUXRPQ-AWEZNQCLSA-N 414.576 1.596 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1722627681 MSNACZFEBHZTDH-QGZVFWFLSA-N 416.526 1.271 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1722696145 CKYKQISUEFLEGT-UHFFFAOYSA-N 423.521 1.585 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCO2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1722871983 HZFQGNUKYAESJL-RBSFLKMASA-N 416.448 1.989 30 10 HDEE CO[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC(NC(C)=O)CC2)CCOC1 1729943277 DMLNYRJOYGLROI-JOCHJYFZSA-N 424.505 1.727 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1740625413 FKSHYECCTMQDPR-IAGOWNOFSA-N 410.540 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(N2CCOCC2)CC1 1740630640 LIUICVPSKVASHE-UHFFFAOYSA-N 405.502 1.891 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1snnc1C 1740631561 KFOKEVDXUISJPA-LJQANCHMSA-N 400.508 1.600 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCSCCCO 1740634245 KBAFSQFZSUZNHO-UHFFFAOYSA-N 412.515 1.905 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1740684638 XJWRYMZOBJWHOA-LJAQVGFWSA-N 419.507 1.003 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCNC(=O)CC1 1740789539 GODPTTXYHRYIIH-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1740810106 YPCSXIVZUMPTII-UHFFFAOYSA-N 415.903 1.629 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)O[C@H](CC)C1 1740955398 TVZYCDBLGZBMFS-GDBMZVCRSA-N 413.478 1.980 30 10 HDEE CC[C@]1(C)CC[C@@H](Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)O1 1744205044 UIWZDKMEXZNOFD-TWOQFEAHSA-N 402.499 1.591 30 10 HDEE COC1(C)CN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748485380 VVQIBVYVLQALGG-VHEBQXMUSA-N 423.477 1.015 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)CCCN2C 1748844015 MNWCWFAPVVWNKJ-IBGZPJMESA-N 402.502 1.733 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1748919068 ZMOCONZUCFVXLW-SFHVURJKSA-N 417.473 1.941 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1748963160 ZJBJPYHTSHAJER-XLAORIBOSA-N 406.552 1.702 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)NCC)CC1 1749039923 FSDUEAXRQDXITG-UHFFFAOYSA-N 413.551 1.482 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN(C)S(=O)(=O)CC 1749051864 OOLYZMNNHHJWDB-LJQANCHMSA-N 424.571 1.080 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CC(=O)NCC)CC1 1749136606 PNHBIALSIIGWRV-RXVVDRJESA-N 416.570 1.470 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCOCC1)C1CC1 1749519049 DWAODEBOLQWUJQ-INIZCTEOSA-N 424.567 1.778 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1749547876 YWAXCEBNNMEIRS-INIZCTEOSA-N 421.498 1.606 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](CCC)OC)C1 1749713731 XILCJFOCBACVOG-YESZJQIVSA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOC(C)(C)[C@@H]1C 1749729815 SOVFCIDJRQSKPG-HNNXBMFYSA-N 405.524 1.945 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)cc1Cl 1760162640 CKRBXVLAJFODKE-GFCCVEGCSA-N 413.906 1.993 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCOc1ccc2c(c1)OCO2 1760165017 HAPLWXDDLBHTKB-NRFANRHFSA-N 414.462 1.807 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1760173578 ADPWVABTECZKCR-KBPBESRZSA-N 419.576 1.879 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(C)CCCS2)CC1 1760262075 YNLDGJKLZGULGZ-HXUWFJFHSA-N 402.568 1.441 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2(CCOC)CC2)CC1 1760263571 HGHFUJYFSQOEJS-OALUTQOASA-N 417.554 1.574 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1760307260 OKVFTPVPMGHBNB-QWHCGFSZSA-N 421.303 1.571 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCC2)C[C@H](C)C1 1760520616 UKAHBFWUOUIUCR-KRWDZBQOSA-N 409.538 1.953 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC[C@H](C(=O)NC)C1 1760525167 WTXGJFWPPSHAGH-INIZCTEOSA-N 414.485 1.273 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc2c(c1)OCCO2 1760529070 WHAGEBPLHFZRLR-QGZVFWFLSA-N 413.478 1.839 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2=CCCOC2)C1 1760534922 IUTCCYZTWVIRGF-ZBFHGGJFSA-N 411.528 1.016 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1761360545 OPRQQMLCWVSULI-PSBQPLHCSA-N 404.496 1.655 30 10 HDEE C[C@@H]1COCCN1c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1763222216 HMXBWZNWNULKDC-MVZUJROASA-N 423.477 1.015 30 10 HDEE CCCNC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1766229049 GXTNCXRCJFCOPH-CYBMUJFWSA-N 401.471 1.660 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@H]2CCOC2)CC1 1771534205 RAAKKLZDFYPICM-GOSISDBHSA-N 416.526 1.697 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1771535795 ZJQILFYSBXIBND-MRXNPFEDSA-N 402.499 1.194 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@@H]1CCN(C)C1=O 1848981859 PXSURSCHNZJWSL-GOSISDBHSA-N 421.563 1.834 30 10 HDEE C[C@H]1Oc2ccccc2O[C@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1851193012 MKEREGUJFVNJTA-OXQOHEQNSA-N 408.458 1.847 30 10 HDEE C#CC[C@@H](NC(C)=O)C(=O)O[C@@H]1CON(c2ncc(C(F)(F)F)cc2Cl)C1 1851809334 WRITXSLQAIOZSX-WCQYABFASA-N 405.760 1.945 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CNS(=O)(=O)c2cccc(Cl)c2)CC1 1852286499 VMXPWLBUCNPCMY-UHFFFAOYSA-N 418.906 1.839 30 10 HDEE CS(=O)(=O)NCCC(=O)N1CCN(c2nc(-c3ccccc3)ccc2C#N)CC1 1852674064 DDMVEEWAFBITCC-UHFFFAOYSA-N 413.503 1.208 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CC(c4nc(C(C)C)no4)C3)C2=O)CC1=O 1853880954 UIJJMKWCNJEUSZ-HOCLYGCPSA-N 415.494 1.144 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)C4CC5(COC5)C4)C(=O)C3)C2)cc1 1854167356 FYJLUFVDHIYHPN-FQEVSTJZSA-N 408.502 1.230 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2ccc(OC)c(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854211968 YQUFTAZRLPXSOX-CVEARBPZSA-N 401.463 1.164 30 10 HDEE COc1cccc(C(=O)N2C[C@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c1 1856410548 JTMHOXQHQXOZLV-HNNXBMFYSA-N 406.442 1.714 30 10 HDEE Cc1c(Cl)cccc1N1C[C@H](C(=O)N2CC[C@H](N(C)CCC#N)C2=O)CC1=O 1856496183 BPUWADNFTJTUGW-PBHICJAKSA-N 402.882 1.974 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](N(C)CCC#N)C2=O)cc1 1856552582 ILRAUCQZXZPADZ-QGZVFWFLSA-N 406.508 1.304 30 10 HDEE N#Cc1ccnc(OCC2CCN(C[C@H]3CC(=O)N(C(=O)[C@@H]4CCCO4)C3)CC2)c1 1856954327 PCBRYVZQSYMPRN-MOPGFXCFSA-N 412.490 1.598 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857276969 LSZNRQKGGVQEOK-CRAIPNDOSA-N 403.454 1.298 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccnn1C 1857486258 BBMXRWYNDMKNBK-UHFFFAOYSA-N 402.476 1.736 30 10 HDEE O=CC1CCN(C(=O)[C@@H](CCOc2ccccc2)NCCN2CCOCC2)CC1 1860608213 OYRQHLDJXYXCQE-OAQYLSRUSA-N 403.523 1.183 30 10 HDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2CCN(C)C)CC1 1870350201 UUGBCHPQYWMXJP-UHFFFAOYSA-N 423.561 1.998 30 10 HDEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN2CCOCC2)cc1=O 1870561470 OFAHHNMXTBNCDK-OAQYLSRUSA-N 411.502 1.701 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)[C@H]1CC(=O)N(C(C)(C)C)C1 1873710453 FRQAVUSJXYTTGB-ZDUSSCGKSA-N 420.535 1.414 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1cccnc1 1874277596 XMILJRZUJUBKOY-MNUWJXFPSA-N 416.507 1.935 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)nc(N2CCCC2)n1 1889626915 BDBKDZWUCWYMPB-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(Cc3nnnn3-c3cccc(F)c3)CC2)c(F)c1 1891234575 YJFQTPUFMKZJQZ-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE N#Cc1nccnc1OCC1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1891802640 BFQJTOONKFBEBJ-UHFFFAOYSA-N 416.488 1.833 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2118163282 PEQCXDBNMGMPTI-XELLLNAOSA-N 400.482 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174783516 CTABIYBYOMKMRR-QGZVFWFLSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2247811050 DPTOJWNEMLSHMG-UHFFFAOYSA-N 421.347 1.680 30 10 HDEE C[C@@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247823055 KTGLIDCJMXYLGE-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2247825429 DMQOIWUIYHXIOO-UONOGXRCSA-N 420.319 1.598 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2C[C@@H]1CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C2 2247826605 XAADVJJDTIGMJO-BETUJISGSA-N 418.303 1.543 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829491 UAYDCPHIECXDBL-OLZOCXBDSA-N 420.319 1.885 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC[C@@H](C#N)C1)NC(=O)OCc1ccccc1 2258138600 LYFJLNBAZNYBFG-HOTGVXAUSA-N 409.464 1.020 30 10 HDEE Cc1sc(C)c(S(=O)(=O)Nc2nnns2)c1B1OC(C)(C)C(C)(C)O1 2267468538 LAENYVNBPVLDHI-UHFFFAOYSA-N 402.332 1.711 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3ncc[nH]3)cc2Cl)OC1(C)C 2267703155 RLELMOYLBABXKQ-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N1CCC(CC#N)CC1)NC(=O)OCc1ccccc1 2270502894 ZSQCFERPWPXGRF-KRWDZBQOSA-N 423.491 1.410 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](CO)C[C@@H]3CO)sc2Cl)OC1(C)C 2281961787 QRLIHRGECXUGPK-GHMZBOCLSA-N 401.721 1.516 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2NCC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315618 QFOYVJYSXAKWRR-AAEUAGOBSA-N 400.375 1.632 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@@](=O)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320454 IUJKSHGBZPQCBK-UOXLDJKESA-N 419.399 1.497 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H](C)C[S@@](C)=O 2282326768 XPGIHYSEROLNPQ-JPQMIFPKSA-N 421.415 1.743 30 10 HDEE CC(C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1CCCN1 2282334010 WBJPZLFDJPWLJY-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CN(C[C@H]1OCC[C@H]1F)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282337869 JYNQLRYIWANCJK-VXGBXAGGSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)NCCSCCCO)OC1(C)C 2282341811 XWMKHTUTMXYGHU-UHFFFAOYSA-N 401.359 1.380 30 10 HDEE CN(C[C@H]1CCCO1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494943 FMORKCIVVBUZQW-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC[C@@H]1COCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282510407 XYBJQUMETYCMKC-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282516792 KUXBLGLFOHMKAI-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CO[C@@H]1CNCC[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639473 ZZBNZKFBMILGEY-VXGBXAGGSA-N 400.737 1.807 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@]2(C)CCN2)OC1(C)C 2282836198 HBUNTGZJKWZXEB-INIZCTEOSA-N 401.363 1.004 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@]2(C)CCCNC2)OC1(C)C 2282843115 IKHNDCYWPJQCSR-QGZVFWFLSA-N 400.375 1.609 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCC2CNC2)c1B1OC(C)(C)C(C)(C)O1 2282866147 FAWWAHACMRJRSW-UHFFFAOYSA-N 400.375 1.552 30 10 HDEE CO[C@H](C)[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284388807 FYOUQTLFCGKWFD-LDYMZIIASA-N 403.693 1.919 30 10 HDEE CN(C1CC(C(=O)O)C1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284395926 ADBLUHHTORECNN-UHFFFAOYSA-N 401.315 1.531 30 10 HDEE C/C=C/C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400687 BOCYMKNQWHWBIB-XUIVZRPNSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(C(=O)O)CC3)cc2Cl)OC1(C)C 2284401685 COZYYJVKGGGTJJ-UHFFFAOYSA-N 421.733 1.844 30 10 HDEE C[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](F)C(=O)O 2284409639 LVCAKEZCGCULJG-SKDRFNHKSA-N 407.294 1.384 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411642 MWBJNTMJEXKWPM-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(COC[C@@H]3CCS(=O)(=O)N3)c2)OC1(C)C 2295169880 PFNIEGSZWAIFOQ-AWEZNQCLSA-N 401.721 1.848 30 10 HDEE CCCN[C@@H](C#CC1(OC)CCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2362704663 KQCCQHGSXVTVJF-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE COC1(C#C[C@@H](N)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363539851 QXGASLWHSRWANT-HZPDHXFCSA-N 400.541 1.701 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCCCNC(=O)OC(C)(C)C 2365206196 GDOAYLJRKDBWPG-HNAYVOBHSA-N 404.573 1.847 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C#CC1(S(C)(=O)=O)CCC1)OCC(=O)O 2367787304 KOIABDUQQTWWLR-KBPBESRZSA-N 403.497 1.588 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367799593 BSJZTYNXKLZORC-HRCADAONSA-N 401.525 1.780 30 10 HDEE C=CCN1C(=O)N[C@@H](c2cc(OC)cc(OC)c2)C2=C1CN(CCN(C)C)C2=O 4346877 CZUPDNNYCBCTDP-IBGZPJMESA-N 400.479 1.614 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N[C@@H](C)c2cc(OC)ccc2OC)CC1 27902207 ADMKSBJKZWFZMU-DLBZAZTESA-N 418.538 1.189 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCCOc2ccc(C#N)cc2OC)CC1 46743398 ABWAWWQJDOPRKG-UHFFFAOYSA-N 400.479 1.172 30 10 HDEE COCCN(CCOc1ccccc1C#N)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 59931813 LQKSZTXPGIKMTN-UHFFFAOYSA-N 401.467 1.178 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCCC(=O)O)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 254513946 JJCBBYLBKQSFNG-GJZGRUSLSA-N 424.500 1.746 30 10 HDEE CC(C)CN(C(=O)CN1CC[C@@H](Oc2ccc(C#N)cn2)C1)[C@@H]1CCS(=O)(=O)C1 428810121 XMPHZCFMSOOLRV-QZTJIDSGSA-N 420.535 1.078 30 10 HDEE C[C@H]1CN(C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)CCN1CCO 429133775 ZKSIOVKSDPDQCC-ZDUSSCGKSA-N 418.548 2.232 30 10 HDEE CN(C(=O)c1cc(C#N)cn1C)c1nc(CNC(=O)c2cc(C#N)cn2C)cs1 433999092 ZVNHCBJCHVAEFT-UHFFFAOYSA-N 407.459 1.770 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CN1C1CC1 441291575 GRSYCUMZNYXVRS-NVXWUHKLSA-N 417.535 1.199 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CN(CCC#N)CCN1CCOCC1 478023975 DGLVQIDLARPADJ-UHFFFAOYSA-N 424.549 1.653 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(COC)(C(=O)OCC)CC2)c1 478466154 IDNMSJZPVNOUMX-UHFFFAOYSA-N 424.519 1.583 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(S(N)(=O)=O)ccc3OC)cc2C1=O 494110272 BCAJEOQSKOSZRG-UHFFFAOYSA-N 415.427 1.377 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1cccc([C@@]2(C)NC(=O)NC2=O)c1 504086388 CHUMGCPEXSXUSO-VQTJNVASSA-N 400.435 1.941 30 10 HDEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)Cc1nsc(N(C)C)n1 507462600 ZFUMVPFNMSZMDB-UHFFFAOYSA-N 420.520 1.935 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCCN(CC(=O)N4CCCC4)CC3)cc2C1=O 518771067 QCSNYDIZYSSTTD-UHFFFAOYSA-N 424.501 1.239 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2)c(=O)n1CCN1CCOCC1 522673983 GOAMBJPLWWQELE-UHFFFAOYSA-N 423.538 1.114 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(c3ccccc3OC)CC2)CC1 524498445 OAWIPLZLXWEICC-UHFFFAOYSA-N 415.538 1.293 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N3CCCCC3)cc21 526841488 UCEJTQPTWYPGPA-HOLBHBGLSA-N 418.515 1.930 30 10 HDEE C=CCCCN(C)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 532584608 PMSJOTYKCFADLV-UHFFFAOYSA-N 407.536 1.620 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 534751812 LCCIRXATPCBASG-ICSRJNTNSA-N 412.515 1.972 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H]2CS(N)(=O)=O)n1 542729838 PPIUKPWAPKXHEN-CYBMUJFWSA-N 408.871 1.682 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc(-c3ccnc(OCC(F)(F)F)c3)no2)C1=O 544283117 CGEUWFQTHMWRQM-UHFFFAOYSA-N 411.296 1.550 30 10 HDEE COC(=O)[C@H](NS(=O)(=O)c1ccc(C#N)cc1F)c1ccc(OC)cc1OC 546732648 MSGLWVZKUAMOAC-QGZVFWFLSA-N 408.407 1.907 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCNC(=O)c3ccc(F)cc3)CC2)n1 546885056 BDGOGEIFGAGQHV-UHFFFAOYSA-N 410.453 1.744 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCO2)CC1 549892101 KNULRUGFNVKIOX-QGZVFWFLSA-N 414.510 1.450 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1CCC(CN(C)C)CC1 552781832 BJZICCDKGMBQCC-UHFFFAOYSA-N 413.566 1.685 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C)C2CCN(CC(F)(F)F)CC2)CC1 557335857 LSKOIHSADRDDBI-AEFFLSMTSA-N 417.520 1.931 30 10 HDEE C=CCn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(CCOC)C(=O)C1 558452479 NJCOGHDMYHASPO-UHFFFAOYSA-N 410.478 1.600 30 10 HDEE COC[C@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 586846043 POEBAWDKPOXIGC-SFHVURJKSA-N 423.473 1.576 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)N(C)C)c1 597102652 PDFCUCHRKWNNII-LJQANCHMSA-N 415.515 1.580 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)N2CCOCC2)sc(=Cc2ccco2)c1=O 603797100 AZFVOMJVMXJRIO-UHFFFAOYSA-N 421.478 1.162 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccccc2OC)CC1 669810686 AMWGLUZFHYBJEY-GOSISDBHSA-N 413.478 1.523 30 10 HDEE C#CCN(C(=O)[C@@H](C)SCC(=O)Nc1ccc(C)cc1)[C@@H]1CCS(=O)(=O)C1 729332353 YACIGGMAWSWSJZ-NVXWUHKLSA-N 408.545 1.704 30 10 HDEE C#CCN(C(=O)c1ccc(CN2C[C@H](C)O[C@H](C)C2)cc1)[C@@H]1CCS(=O)(=O)C1 729334820 WCFJZSCFZYNNBI-FUHIMQAGSA-N 404.532 1.558 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1cccc(NC(=O)[C@@H]2CCCO2)c1 731905241 XCHCGDPFDCSQGC-SFHVURJKSA-N 400.460 1.935 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)s2)CC1 732647686 HVKWATXNKBWJIL-INIZCTEOSA-N 422.576 1.981 30 10 HDEE Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732708077 LNWYBWNVYWLNQM-LJQANCHMSA-N 423.517 1.805 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2cnn(CCC)c2)c1=O 735069305 SHASKQZNHCOKAT-UHFFFAOYSA-N 401.536 1.346 30 10 HDEE CCOC(=O)c1cc(CC)sc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 743909186 SRLUYIDBUJKTIV-ZDUSSCGKSA-N 404.492 1.624 30 10 HDEE CCCc1ccc([C@@H](C)N(CC(N)=O)C(=O)CCN/C(O)=C2/N=CC=CC2=O)cc1 746156854 DODSPQSOZJTFSD-JUUUUTHISA-N 412.490 1.931 30 10 HDEE CC(C)CN(C(=O)COC(=O)Cc1cccc(OCC#N)c1)[C@H]1CCS(=O)(=O)C1 760624690 GAJDPGQMLQQIHM-KRWDZBQOSA-N 422.503 1.346 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Br)cc2)NO1 765374802 ZIPPXISPRPXVFY-MFKMUULPSA-N 416.297 1.841 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cc(Br)c(C)n(C)c1=O 774096317 UHFBWBDRSKRIJI-UHFFFAOYSA-N 424.276 1.755 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCS(=O)(=O)C1 776247746 VZWHTGDDLWFDBZ-CQSZACIVSA-N 419.425 1.397 30 10 HDEE C#CCN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C)[C@H]1CCS(=O)(=O)C1 779711073 AMGRUVQKGMNVGP-OWCLPIDISA-N 413.540 1.464 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(C(=O)CN(C)C)CC2)CCCN1C(=O)OC(C)(C)C 790286505 WXKCFHKNIRKKNR-NRFANRHFSA-N 408.543 1.565 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)OCCCCC#N 808653725 GGUIEQXKASMHDK-UHFFFAOYSA-N 409.508 1.872 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)c(=O)n(C)c1=O 918586979 WQBHFBGTIGXFAS-UITAMQMPSA-N 403.398 1.795 30 10 HDEE C[C@@]12CC[C@@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 1076430829 ODJLBQGVINUMMR-LQTQFIISSA-N 404.503 1.898 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(OC)c3)CC2)cc1 1124320841 UYFWZQXWNKAMNP-UHFFFAOYSA-N 415.471 1.722 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C1=O 1127330561 SZFQRAPQCXVAIK-OFLPRAFFSA-N 414.462 1.171 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)c2ccc(-n3cccn3)c(F)c2)C1=O 1129207789 GONHYBQUGUUQNO-GFCCVEGCSA-N 400.366 1.592 30 10 HDEE CN1CCn2nc(C(=O)N[C@H](C#N)c3ccccc3Br)cc2S1(=O)=O 1131343785 QNBQTKPDTXJQMV-CYBMUJFWSA-N 424.280 1.274 30 10 HDEE C[C@@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2)C[C@@H](C)O1 1134645938 ZPEJDQWMGVOECA-DCTVWTRXSA-N 417.531 1.306 30 10 HDEE C#CCN(CC(=O)NC[C@H](CO)Cc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 1137498828 JAHAQMWHJUNFCO-QGZVFWFLSA-N 420.506 1.841 30 10 HDEE Cc1cc(NCCNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)n(C)n1 1139032159 JEFFQDMVCLUXKJ-AWEZNQCLSA-N 400.870 1.835 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)n1 1139833221 DZGOHTGNXVYLFX-KRWDZBQOSA-N 415.881 1.192 30 10 HDEE Cc1ccc(C(=O)NC[C@@H](C)CN2CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1147843576 MXTPCTNTLSKPBZ-MRXNPFEDSA-N 402.344 1.992 30 10 HDEE N#Cc1cn(CC(=O)N2CC[C@H]3[C@@H](CCCN3Cc3ccccc3)C2)c(=O)nc1O 1149517782 AOHGLVXONHUYKV-HKUYNNGSSA-N 407.474 1.334 30 10 HDEE CCOC(=O)c1ccc(N2CCCN(C[C@H](O)CC3(C#N)CCOCC3)CC2)nc1 1168042181 BPEQSOTUTPSWJN-LJQANCHMSA-N 416.522 1.842 30 10 HDEE C#CCN1CCN(C(=O)CN2C[C@H]3CCCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC1 1177021758 FSBPWSYOOLCTSN-AUSIDOKSSA-N 418.582 1.781 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1191465255 DDBYOTJRLMFTTD-UHFFFAOYSA-N 423.472 1.175 30 10 HDEE N#CCc1ccc(OC[C@H](O)CN2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1198026575 GVHGUQQWLRCKPR-QGZVFWFLSA-N 407.474 1.896 30 10 HDEE CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C12CCC2 1253068079 MTSFBXCOZLFFTO-LSDHHAIUSA-N 401.467 1.513 30 10 HDEE COc1ccnc(N2CCN(C(=O)NC3CCN(c4ccccc4C#N)CC3)CC2)n1 1253867661 ODKWDFDSIAQCQA-UHFFFAOYSA-N 421.505 1.857 30 10 HDEE C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ccnn1C 1254451053 GWZQOUMMEZZBLF-AWEZNQCLSA-N 402.480 1.069 30 10 HDEE Cn1nc(I)cc1C(=O)N1CCN(c2ccccc2C#N)CC1 1264889074 QHFBTAQGHXPNOB-UHFFFAOYSA-N 421.242 1.859 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1cccc(OC)c1 1286271638 UOOKLMNTTGIAKB-OAHLLOKOSA-N 412.494 1.313 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(CC(=O)NCC)CC1 1286559717 YBFLLEIQXFSYHB-RXVVDRJESA-N 418.586 1.716 30 10 HDEE C=C(C)COCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1286607378 GRBGFMHAYWEOTQ-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CC2)CC1 1286664590 YUQSTJOHEDOCLJ-WZQKQDCOSA-N 412.581 1.494 30 10 HDEE C=CCCOCCn1c(N2CC[C@@H]3OC(=O)O[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286713557 CADWGLKREGQRPU-FTRWYGJKSA-N 422.482 1.637 30 10 HDEE C=CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCN(C)C1 1286715615 NFBJVWPKUJETMZ-FQEVSTJZSA-N 418.929 1.550 30 10 HDEE C[C@@]1(C#N)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CCO1 1289341894 ZSGMIWKIWQEIDE-QZTJIDSGSA-N 408.817 1.387 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N(CCC#N)CCN1CCOCC1 1292291518 ZDJHADMLVQGIBE-KRWDZBQOSA-N 407.515 1.648 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1297969706 BXSDAYUHCZMLDY-QGZVFWFLSA-N 423.477 1.326 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)CCC1 1298047030 GUOAAYMGIBKGRS-INIZCTEOSA-N 406.556 1.404 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1300267541 HBBHUYOIRCWUSQ-QZTJIDSGSA-N 424.553 1.409 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(NC(=O)OC)c1 1300505541 CKXRLVHJUAOJNF-UHFFFAOYSA-N 408.462 1.716 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCCOC)C1 1301499783 GACDKNSPTRKALG-DLBZAZTESA-N 407.515 1.106 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCO[C@H](C#N)C1 1301520989 WIJGKRCXTBBJEC-BFYDXBDKSA-N 402.499 1.228 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1301569011 NRWFMNWQRRZZOT-KRWDZBQOSA-N 423.583 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCOCC1 1301593628 RFCQRPJEFKATDJ-UHFFFAOYSA-N 420.535 1.911 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)OC2CCCC2)n1Cc1ccc(C#N)o1 1303819243 CETDXFVQYYPWTF-LBPRGKRZSA-N 408.484 1.712 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)C1 1310709822 RZRKIOQYBVCTOD-YJBOKZPZSA-N 419.478 1.803 30 10 HDEE C#CC[C@H](COC)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1311318452 SATLURGLTRJLSZ-OAHLLOKOSA-N 420.514 1.511 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)C1 1313291395 KYGFZTFWMOBZIJ-NFBKMPQASA-N 410.518 1.297 30 10 HDEE COc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@@H](C#N)C1 1315678161 LFJYFIRCPUFSQU-INIZCTEOSA-N 411.491 1.815 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCCS2)CCO1 1316535204 FTCSMEJCUFEAIC-LSDHHAIUSA-N 413.507 1.940 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCc3nc([C@@H]4CC(=O)N(C5CC5)C4)no3)C2=O)cc1 1321108169 DLRWBCWAAQFVCQ-CZUORRHYSA-N 420.429 1.477 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc(I)nn2C)c1 1357398772 JONYMQROASBKTG-UHFFFAOYSA-N 422.226 1.399 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1358897448 ZIMYYCLWXGQTQK-KRWDZBQOSA-N 400.527 1.651 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@]1(OCC)CCOC1 1358935949 XYDFOSAQMUCUGC-LZJOCLMNSA-N 401.511 1.591 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1358950298 FVWMDXHTJAHODN-SFHVURJKSA-N 417.521 1.834 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)CC=C)[C@@H]1CCS(=O)(=O)C1 1358960659 IZZFKJGTGRZFJY-QGZVFWFLSA-N 416.551 1.908 30 10 HDEE C=C(Cl)Cn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1359156423 FFNOTHDTSVTHNM-SFHVURJKSA-N 411.890 1.762 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](CN2CCOCC2)C1 1359215736 INGQWLUCDOZOMW-QZTJIDSGSA-N 423.583 1.305 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1359295978 SQYKZUASRNZLGF-QGZVFWFLSA-N 409.494 1.024 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1359298411 YVZCMYPCBUMICI-UHFFFAOYSA-N 422.493 1.892 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N(C)Cc1cnn(C)c1 1359304960 OTRSLYIBEGVDCK-UHFFFAOYSA-N 413.457 1.668 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CCNS(=O)(=O)c2ccccc2)C1 1359321605 JHMQDVXCFCEPAC-MRXNPFEDSA-N 405.524 1.600 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCc1nnc2n1CCCCC2 1360474022 FJIGYWVOZPHZOA-OAHLLOKOSA-N 408.514 1.978 30 10 HDEE N#Cc1cc(C(=O)Nc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cnc1C(F)(F)F 1439027878 CYDLAWIEWYAKCL-UHFFFAOYSA-N 410.333 1.950 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(Cc3cccc(F)c3)CCCCC2)CC1 1455115079 LWLSNKCQIUKDRN-UHFFFAOYSA-N 421.538 1.931 30 10 HDEE Cn1c(=O)[nH]c(NC[C@](O)(c2cccc(C(F)(F)F)c2)C(F)(F)F)c(C#N)c1=O 1458137412 FBSUOVDXVSXHPA-AWEZNQCLSA-N 422.285 1.826 30 10 HDEE Cc1cccc(CN2CCN(C(=O)Cn3c(=O)c(C#N)c(C)n(C4CC4)c3=O)CC2)c1 1459216490 CFYZTEWPRDMTHF-UHFFFAOYSA-N 421.501 1.178 30 10 HDEE C#C[C@H](NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCO1 1459982264 FVJIHGOEXZOWNW-RBUKOAKNSA-N 405.520 1.570 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)NC3(c4ccc(C#N)cc4)CCOCC3)nc21 1462128070 LJFBULIKQGDZFG-UHFFFAOYSA-N 406.446 1.695 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1463168882 QCFMGZZKOCUQAE-WCGYCAOXSA-N 402.472 1.670 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1 1463852836 WTLZVOABOBKGAT-UHFFFAOYSA-N 420.441 1.841 30 10 HDEE C#CCCN1CCN(C(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)CC1 1464611105 HYFLENZORLNGLJ-QGZVFWFLSA-N 416.526 1.631 30 10 HDEE CC#CC[C@H](CO)NC(=O)N[C@H]1CCN(c2ccc(Br)c(C)c2)C1=O 1469720594 OHJCGYIEXMKXMP-CJNGLKHVSA-N 408.296 1.936 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCC2(C1)OCCO2 1470339017 OYVCHTWGBDRMEC-AWEZNQCLSA-N 403.907 1.587 30 10 HDEE C=CCn1cc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@H](c3cnn(C)c3)C2)nn1 1471246268 ZLMFLYSLXZTTBE-GJZGRUSLSA-N 400.483 1.785 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)c(S(N)(=O)=O)cc2C)cc1 1471763480 WSWNPECHRVHMFB-UHFFFAOYSA-N 423.516 1.667 30 10 HDEE Cc1oc(NC(=O)[C@H](C)N2CCC(NC(=O)N3CCOCC3)CC2)c(C#N)c1C 1473574884 CZVQVXJLAADHCL-AWEZNQCLSA-N 403.483 1.601 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1473581289 KKNZJHAGSVKQEA-GOSISDBHSA-N 419.547 1.059 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCCC[C@@H]([C@@H]4CCOC4)C3)CC2)o1 1473870500 LHMPMEWKEQDRAC-QZTJIDSGSA-N 401.511 1.642 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1476026396 QSLCPMUVTYFUSO-NLFAIWHDSA-N 406.508 1.785 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3ccnc(Cl)c3c2)CC1 1476773618 JEULRODLORHTCE-UHFFFAOYSA-N 407.883 1.505 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@H]2CCCC[C@@H]2c2ccccc2)CC1 1478639709 HBLFZRHMLQNZQZ-WOJBJXKFSA-N 418.563 1.755 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1504853556 FPWAZKLCJUIOQR-INIZCTEOSA-N 411.510 1.062 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CSCCS2)C1 1505311604 BOVQCSOUEIQHAK-DYVFJYSZSA-N 410.544 1.805 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1507677891 OASFDMFNQHWWMM-MUUNZHRXSA-N 402.524 1.932 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCOC[C@H]2C)CC1 1507736342 IYFILLZZGBVRKH-IEBWSBKVSA-N 422.533 1.979 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCOC[C@@H]2C)CC1 1507736840 TVFMIOMAXGQZBZ-PXNSSMCTSA-N 422.533 1.979 30 10 HDEE C=C(C)Cn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1[C@]1(OCC)CCOC1 1507836374 JAFIPADLBVXNDN-UTKZUKDTSA-N 419.526 1.334 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N(C)Cc1cnn(C)c1C 1508088564 ZFPOOMGBXVPVMQ-UHFFFAOYSA-N 423.521 1.858 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)C1 1508110221 YYJKQXKOKQYJPR-KRWDZBQOSA-N 419.526 1.227 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)N(C)CC)C1 1508113401 XRWNUEDGIAUDAO-INIZCTEOSA-N 413.478 1.933 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCS(=O)(=O)C2)C1 1508115879 DTBRUHPKTSOJLZ-NVXWUHKLSA-N 403.508 1.556 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508125346 QTMLJTMVVIZIDU-AEFFLSMTSA-N 403.527 1.822 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C[C@H]1C 1515911477 FNAXUXCPYDQVLF-OPAMFIHVSA-N 407.522 1.825 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1516169134 KGQBEBNBJSYGEF-QRWLVFNGSA-N 402.499 1.339 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC=CO2)C[C@H]1O 1517691227 VZJCYEZYEKCBNN-GUDVDZBRSA-N 423.473 1.870 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1518443738 HNUTXTVTZVNSGX-RHSMWYFYSA-N 410.478 1.597 30 10 HDEE CC#CCCCC(=O)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1522038258 MAMLIMIYXRROPK-JRHPMUGDSA-N 400.519 1.822 30 10 HDEE CCCCN1C(=O)c2ccc(C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)cc2C1=O 1525459980 SDZAMSPWAPVLSV-UHFFFAOYSA-N 422.445 1.766 30 10 HDEE N#Cc1cccc(C2(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)CCOCC2)c1 1532549252 AHYRRQUARMJGHE-UHFFFAOYSA-N 412.471 1.178 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1534412913 VTKUVXCUEAVWJB-QVKFZJNVSA-N 401.463 1.315 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1539179549 PRXMWHRMPPZBJJ-OAHLLOKOSA-N 404.492 1.315 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@](C)(O)c1ccco1 1539232405 BIXQBWCGWCKKKW-OAQYLSRUSA-N 404.430 1.499 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)c1ncc(C)s1 1539414027 RFJZFSLZQRKNCR-HIFRSBDPSA-N 402.524 1.884 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1539989982 BZIRPXODZYVBDH-FQEVSTJZSA-N 407.482 1.589 30 10 HDEE CS(=O)(=O)C1CCC(C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1540510562 AACDCNOJEVQUBC-UHFFFAOYSA-N 406.508 1.676 30 10 HDEE CC[C@H](Sc1nc(CC(=O)NCCNc2ccc(C#N)cn2)cs1)C(N)=O 1540778641 NJSVTJGZSRRJHT-ZDUSSCGKSA-N 404.521 1.537 30 10 HDEE CC(C)C[C@H](C(N)=O)C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1540832345 LSWTXQUIXFLARF-OAHLLOKOSA-N 400.458 1.662 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1ccon1 1540874989 YDNQBXAGSOGGPG-UHFFFAOYSA-N 407.434 1.655 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1540889818 UQCGNMFVVGVOKY-HKUYNNGSSA-N 413.526 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O 1540901840 QWLLIKCRDGDWEJ-UHFFFAOYSA-N 416.507 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1540903386 COWQELGVDISRSD-SFHVURJKSA-N 404.471 1.307 30 10 HDEE COC[C@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1544646217 YYBAYBNBLMPKJX-DYESRHJHSA-N 403.479 1.906 30 10 HDEE Cc1[nH]nc(C(=O)N2CCN([C@@H](C#N)C(C)C)CC2)c1I 1546287017 YOCXPUIQEROPKG-NSHDSACASA-N 401.252 1.629 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCCNC(=O)C1CCC1 1546528625 VXOWPCVYJRKGQL-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CCO1 1555992871 DAHAERGRUTYJHC-WBVHZDCISA-N 402.499 1.350 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C(C)(C)CO 1557225429 ZEDPOQDIWVQLIP-QGZVFWFLSA-N 418.519 1.987 30 10 HDEE C#CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)[C@@H]1CCCc2ccccc21 1558543290 SUABGCUZVOKTHG-LJQANCHMSA-N 419.547 1.360 30 10 HDEE COC(=O)C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)cc1 1558722795 COZYEWMUUUDFFG-CYBMUJFWSA-N 424.335 1.260 30 10 HDEE C[C@H]1C[C@H](NC(=O)NC2CCN(c3ccccc3C#N)CC2)C(=O)N1c1cnn(C)c1 1564199136 BDOWLASZLBBFDB-KXBFYZLASA-N 421.505 1.754 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1564690127 OQCCPJYJGWTIFB-YESZJQIVSA-N 410.434 1.180 30 10 HDEE Cn1cc(-c2nc([C@H]3COCCN3C(=O)NCCc3ccc(C#N)cc3)no2)cn1 1565064351 DTYUEUCIRXDPKN-QGZVFWFLSA-N 407.434 1.667 30 10 HDEE C=C[C@H](C)ONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1583407899 IDTMCTXYJIVLAQ-GWCFXTLKSA-N 423.413 1.240 30 10 HDEE C#CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 1584647945 XSEBNSXEWHIXTI-UHFFFAOYSA-N 418.515 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCN2CCC3(C2)OCCO3)CC1 1585225112 RETXNJLCRUVSMY-UHFFFAOYSA-N 407.511 1.202 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1585487118 DELVJXQSIGUOMH-UHFFFAOYSA-N 416.547 1.606 30 10 HDEE CC(C)N(CCCNC(=O)CCn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1585609050 ZHSOVUMYNFCKSC-UHFFFAOYSA-N 407.471 1.362 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COCC)cc1 1587562731 SGRSCRIAZQCHML-HZPDHXFCSA-N 419.551 1.931 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OCC)n1Cc1nncn1C 1588167088 VZWCWTIAGPAYHR-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(CCCOCc3ccccc3)CC2)CC1 1588199517 SAIWDMHEZCNVKB-UHFFFAOYSA-N 419.547 1.375 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1589007757 QIFNZWIABYZZOW-AWEZNQCLSA-N 414.491 1.887 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCNS(C)(=O)=O 1593625444 XURKADRBEGMAPI-UHFFFAOYSA-N 417.495 1.155 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2cncn2)C1 1594567958 UIWLXMBIGATXQP-JKSUJKDBSA-N 422.559 1.678 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@H]21 1594627477 VNFXNURZFWGQJK-BBWFWOEESA-N 409.556 1.956 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C(C)C 1594943718 XUDXZTBXXZMUDA-UHFFFAOYSA-N 409.494 1.586 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(CCOCC)CC1 1595522983 LOMCKUZTGKYYLF-UHFFFAOYSA-N 416.501 1.545 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(CC(=O)OCC)cs2)c1 1595589252 PLRJEIZKAFYXJU-UHFFFAOYSA-N 421.500 1.090 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039527 PQKUVQBRIZMDSK-GOSISDBHSA-N 422.570 1.812 30 10 HDEE COc1ccc(C2(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CCCC2)cc1OC 1598567188 GQZJFSYWWWMBRJ-OXJNMPFZSA-N 418.515 1.912 30 10 HDEE N#Cc1cccc2[nH]cc(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)c12 1611241676 CICPINHAKNUAJU-UHFFFAOYSA-N 403.446 1.298 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCC2(O)CCOCC2)cs1 1612412597 TVVPLYGZGCHWJO-MRXNPFEDSA-N 418.523 1.294 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)n1Cc1ccc(C#N)o1 1613342746 PVFXNOHAFMPECJ-CZUORRHYSA-N 411.466 1.777 30 10 HDEE Cc1ccc(S(=O)(=O)OCCC2(c3ccccc3)C(=O)NC(=O)NC2=O)cc1 1615199038 BOYATDOPSVJZCE-UHFFFAOYSA-N 402.428 1.394 30 10 HDEE Cc1cc(NCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n(C)n1 1617753475 POIGEQMRDAYSJN-INIZCTEOSA-N 409.450 1.034 30 10 HDEE Cc1c(C(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cnn1CCC#N 1617952257 NYCRGZGPNLLIOD-AWEZNQCLSA-N 408.462 1.941 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@H]2COc3ccccc3O2)c1 1621668912 GNFRXFRRTITZLW-QGZVFWFLSA-N 400.456 1.708 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(OC)c(OCC(N)=O)c1 1624749079 MZRICWUNZZMINW-CQSZACIVSA-N 405.451 1.805 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1624808634 CHOFOLJLBCESIU-MRXNPFEDSA-N 403.435 1.604 30 10 HDEE C=CC[C@H](NC(=O)CN1CCN(C(=O)OCc2ccccc2)CC1)C(=O)OCC 1624932146 WZLIRLIVJXCRTM-SFHVURJKSA-N 403.479 1.565 30 10 HDEE N#C[C@]12CN(C(=O)c3cc(Br)cc([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1627137039 RGRSAUDRIKVNAS-IINYFYTJSA-N 414.237 1.368 30 10 HDEE COc1cncc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)c1 1630562629 RNFJHQSMDKHLPC-KRWDZBQOSA-N 416.503 1.860 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc[nH]c3C23CCOCC3)c1 1631074495 RHAFGGKQQRYCKR-UHFFFAOYSA-N 414.487 1.025 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@@H](CO)C2)nnc1-c1ccc(Cl)cc1 1632598226 CYBIOKLLMCDAMZ-GASCZTMLSA-N 422.938 1.936 30 10 HDEE COC(=O)[C@@](C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1633137288 LPWMEVCAZAJQGC-FQEVSTJZSA-N 418.446 1.984 30 10 HDEE N#Cc1cncc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 1635326310 WQCWINMJPHAVLG-UHFFFAOYSA-N 404.423 1.043 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(-c3cc(OC)ccc3Cl)no2)CC1 1635994197 XWHCHYHQBJBACJ-UHFFFAOYSA-N 416.865 1.511 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)[C@@H]3CCN(Cc4ccccc4)C3=O)C2=O)cc1 1639973927 QCZOIUIBLJKENF-LEWJYISDSA-N 416.481 1.824 30 10 HDEE C#CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(OC)cc2)c1)C(=O)OC 1642410517 GTZLMRYMCNLMGJ-SFHVURJKSA-N 416.455 1.791 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC(=O)c2ccccc2O1 1642866944 NEXYMQBPQMULTP-UKRRQHHQSA-N 413.455 1.375 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1643543251 LXPLDDDLXVLXQC-KSSFIOAISA-N 424.295 1.659 30 10 HDEE CO[C@@H]1COCC[C@@H]1N(C)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1644526535 OLXCMOYTZAEBOS-DLBZAZTESA-N 423.535 1.548 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H]([C@]2(C)COC(=O)N2)C1 1645688830 QZHQTZPAUAZXGG-IERDGZPVSA-N 410.478 1.888 30 10 HDEE C[C@@H](C(=O)OC(C)(C)C)N(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1CC1 1648848903 DGGAWMSHNCUMIT-ZDUSSCGKSA-N 407.492 1.558 30 10 HDEE C[C@@](CO)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(Br)c1 1653411356 YJWNTCZJPMMPMJ-GVJQPLCZSA-N 422.279 1.689 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 1654480237 YUPWQUYGBTXEJB-SANMLTNESA-N 412.533 1.108 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1655034523 GKYKYABWICDSNY-ZIFCJYIRSA-N 419.547 1.911 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(c3ncc(I)cn3)CC2)CC1 1655256141 PKPXKSUWSMFLJC-ZDUSSCGKSA-N 413.263 1.258 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(CCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1 1659720130 PHVUZEYYAIHSIJ-HXUWFJFHSA-N 413.503 1.615 30 10 HDEE C=CCc1cc(C=O)cc(OC)c1OS(=O)(=O)C[C@H]1CCN(S(C)(=O)=O)C1 1659853259 SSHDNVLDZVITPE-ZDUSSCGKSA-N 417.505 1.226 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1 1663220973 JJMBDMJSLRSYID-FQEVSTJZSA-N 408.520 1.444 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1 1664414151 IIMPEATXWIMKSK-UHFFFAOYSA-N 409.939 1.524 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccncc3)[C@H](C)C2)c1 1665221688 OOECTLPVYSRWJY-MRXNPFEDSA-N 400.504 1.897 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCCC2(CS(C)(=O)=O)CC2)C1 1671495144 LZIQGIPUPQEPSI-KGLIPLIRSA-N 414.528 1.260 30 10 HDEE C#C[C@@](C)(CC)NC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1672504948 AEXLNAXMHHIUDZ-YOEHRIQHSA-N 413.521 1.075 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc(OCCS(C)(=O)=O)cc2)CC1 1679153259 VVSOWOUCUNCKRO-UHFFFAOYSA-N 407.492 1.103 30 10 HDEE Cn1nccc1[C@H]1COCCN1C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1681301911 TVQRIAKFSFZSKY-PKOBYXMFSA-N 408.462 1.570 30 10 HDEE C[C@@H]1CN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1CS(N)(=O)=O 1681499949 PDIRATIGYVNNLP-DYVFJYSZSA-N 416.507 1.025 30 10 HDEE C=CCC[C@@H](CO)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1685136332 RLQQERVSVMBWEL-GJZGRUSLSA-N 419.544 1.037 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NC[C@H](CO)Cc2cccc(Br)c2)C1 1685177169 MYAKIMHCOLXBLP-AEFFLSMTSA-N 408.340 1.997 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 1685890228 LDZBNXKIUPWEMR-IBGZPJMESA-N 420.510 1.556 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1)C1CCOCC1 1687126366 LWGHAOLWVRKPNE-JXFKEZNVSA-N 416.497 1.908 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCNC2=O)CC1 1690485489 UVVIAVMMVBQXST-OAHLLOKOSA-N 422.555 1.140 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1690486302 DHRNJTUFCBKCEC-QGZVFWFLSA-N 404.540 1.748 30 10 HDEE CC(=O)NC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)CC1 1690920407 RUFMLGQQDHFBIC-UHFFFAOYSA-N 411.466 1.132 30 10 HDEE CC1(C)COCCN1CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1692869915 HMDSXNAYRBFEBS-IAGOWNOFSA-N 404.515 1.012 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)C1 1697061551 GCKDGIQPVACVEX-SFHVURJKSA-N 424.505 1.824 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1698491590 GYZJJXCCQIGNRT-IRXDYDNUSA-N 407.540 1.879 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C(N)=O)cc1 1705499960 CRXLOBYMKWCJDA-AWEZNQCLSA-N 422.514 1.875 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705540377 XLLKJPWEFFPYJL-KSZLIROESA-N 420.535 1.042 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ncn(C)n2)CC1 1705633111 JDQDPSCAZLLFKY-INIZCTEOSA-N 424.484 1.489 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1705639808 WYSXYTBYAHXYHM-SFHVURJKSA-N 423.521 1.466 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705662483 ZZMSNAIYEMOLKA-CVEARBPZSA-N 407.540 1.863 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC[C@@H]1C 1705667705 PYLKSUBUUGIJDC-HTAPYJJXSA-N 416.570 1.909 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1Cc1cccc(OCC(N)=O)c1 1705672367 VGVLBFDHKIFPEG-JOCHJYFZSA-N 417.473 1.640 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1705760094 AAQQHXLUYAQKII-KXBFYZLASA-N 409.918 1.882 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705767694 FFDCPMYZGLUGCO-GOSISDBHSA-N 424.505 1.202 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1706077236 HGHBOBQBUXLTJH-GUYCJALGSA-N 409.537 1.076 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)N(C)C 1706748003 FIBJVNDWWFGDFC-CYBMUJFWSA-N 418.527 1.065 30 10 HDEE Cc1nc(Cc2nnc(N(C)CCS(C)(=O)=O)n2Cc2ccc(C#N)o2)cs1 1707750504 NGUFUZDIANPEJG-UHFFFAOYSA-N 420.520 1.628 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC(=O)N1 1708721043 BXZXKVGPUXSHQB-OAHLLOKOSA-N 401.515 1.605 30 10 HDEE CCCN1CC[C@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1709762219 FUAFGOPRVDHMNJ-SFHVURJKSA-N 407.522 1.827 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2sc(C)nc2C)CCOC1 1710482619 HTWXPLLVCODOGC-KXBFYZLASA-N 418.523 1.781 30 10 HDEE CN(C)C(=O)Cn1c(CC2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1710987013 DBKILIVCCLAGIE-UHFFFAOYSA-N 422.537 1.692 30 10 HDEE CN(C)[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1711003884 GRGCHLGVAXIHQF-OALUTQOASA-N 421.546 1.280 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cc1 1711774379 DKNMAMSYEHARLK-IBGZPJMESA-N 412.494 1.405 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1712228940 VDCQNZSHGZXFCN-CQSZACIVSA-N 421.461 1.666 30 10 HDEE CSc1cccc(F)c1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1712770581 GKOQVUZZVIQEGR-IUODEOHRSA-N 416.482 1.867 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2ccncc2)nnc1N1CCCOCC1 1712913197 XFTPBYLJCATSBA-FMQUCBEESA-N 423.477 1.017 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCN1c2ccccc2C[C@H]1C 1722387336 UBZSYSZUWMTOEN-LJQANCHMSA-N 416.529 1.925 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCCCOC(C)C)CC1 1722429758 RPEYOUGLSGCNLZ-UHFFFAOYSA-N 402.543 1.475 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCN(C3CC3)C2)CC1 1722430889 JZPHUYJFNCQMPT-OALUTQOASA-N 416.570 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@](C)(O)CCOC)CC1 1722440785 JVPAMPJMURHXBS-NRFANRHFSA-N 405.543 1.329 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1722462528 VJRWMEUAGQMOOH-UHFFFAOYSA-N 418.611 1.587 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1723691967 NBPTZLWGYPQKMV-WIYYLYMNSA-N 419.526 1.864 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1723777621 IFIIZBGEDVWMKD-CHWSQXEVSA-N 401.496 1.287 30 10 HDEE C#CCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1740590940 JZRIPYUJHPNPMA-KRWDZBQOSA-N 401.898 1.887 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1740634913 IABZYDWKIDHXMX-QFIPXVFZSA-N 422.558 1.621 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCCN2CCC[C@@H]2CO)CC1 1740694085 YBIDODSVTPERJU-JOCHJYFZSA-N 422.577 1.937 30 10 HDEE C=C(Br)Cn1c(N2CCNC(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1740749631 AUQYYYZBARHAKD-INIZCTEOSA-N 414.304 1.164 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C(C)(C)C)C1 1740952601 JDFBHVGIBQUQDK-CVEARBPZSA-N 409.531 1.556 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nccs2)C1 1740959683 CMSBAXYMFJCQLO-UONOGXRCSA-N 404.496 1.119 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1741113173 AANCZEQVBZKFCY-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE CC(C)(C)C(=O)NCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1741151376 WFNNBNMRIASNAM-UHFFFAOYSA-N 422.537 1.911 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1747356429 RDDUBEPKTYZTFU-SFHVURJKSA-N 409.494 1.894 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC=CO2)CC1=O 1748062517 BURWKBVNGIOQEA-GOSISDBHSA-N 408.462 1.700 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCN1CCCO 1748667017 LRVKVENOKPEFMS-JKSUJKDBSA-N 414.510 1.311 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)N(C)C1CCCCC1 1748770528 AOWLZNFMPKOSBC-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1748804434 HRKPZYLEPVLEHT-LPHOPBHVSA-N 416.547 1.959 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1Cl 1748825684 CEHZSCGRWUALBY-HNNXBMFYSA-N 419.938 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1ccco1 1748837590 JNBJUQAXHZALNI-UHFFFAOYSA-N 417.425 1.770 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1748916772 CUUANCLBFYPSJN-KRWDZBQOSA-N 409.899 1.003 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1749198243 ADXRHCUURKHOND-GOSISDBHSA-N 409.494 1.607 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1749248406 JNUMUULQMAQZEY-UHFFFAOYSA-N 409.450 1.092 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1749277797 KYOSGXMOTIQOGB-GOSISDBHSA-N 420.926 1.881 30 10 HDEE C=CCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCS(=O)(=O)CC1 1749461763 WDDVCCKUKJDADI-UHFFFAOYSA-N 420.535 1.993 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)C2)nnc1C1(c2ccccc2)CCC1 1749682013 NAQCTRKUFZIBLM-UHFFFAOYSA-N 408.506 1.329 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1750572850 PJIXTJYGASZYJL-KRWDZBQOSA-N 412.494 1.726 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)CCOC1 1751026331 NPHSVPUDJZPLQU-FXAWDEMLSA-N 404.515 1.143 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1751097104 DMXGNRKTCRDMJL-INIZCTEOSA-N 403.531 1.250 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C(N)=O)cc2)cs1 1751782308 DMPSKAMAMXZBPN-QGZVFWFLSA-N 423.502 1.510 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCOCC2)CC1 1760140919 DEUBFIVBDBXFKQ-UHFFFAOYSA-N 414.554 1.505 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1nncn1C 1760247546 FYIIJJNCRAYFQB-UHFFFAOYSA-N 417.477 1.394 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760313136 JYFALWLXFBIOFL-NWDGAFQWSA-N 405.318 1.662 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N1CCN(C(=O)NC)CC1 1760359555 RGBHAHJQLTYWDZ-UHFFFAOYSA-N 404.540 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](COC)C1 1760551623 MIXMXCUQOCRDNM-HNNXBMFYSA-N 410.496 1.299 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CC1 1760621826 BQAKUYSKTCBVIO-UHFFFAOYSA-N 423.525 1.029 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(-n2cncn2)nc1 1760693850 MYRGHSKAWUYZLZ-RDJZCZTQSA-N 407.482 1.792 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1766489230 GOBSHZPXTNTQQH-ZJYNUGOYSA-N 414.510 1.935 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOCC2CC2)CCO1 1769243451 LQZZRNFMEFXPAX-IBGZPJMESA-N 424.505 1.585 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccn2C)n1CC(C)(C)N1CCOCC1 1771109703 BHYYLTCMIQFLLB-UHFFFAOYSA-N 415.542 1.761 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCC(C)CC1 1771222593 KHYDYSIVLOERQS-RBUKOAKNSA-N 420.558 1.853 30 10 HDEE Cc1cccc(C)c1N1C[C@H](C(=O)N(C)C2CN(c3nccnc3C#N)C2)CC1=O 1849819055 JFNKLYYYHDUVTO-MRXNPFEDSA-N 404.474 1.665 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)Cn2ccnc2C2CC2)cc1 1851499560 NFOAFQQXZVPGIJ-HXUWFJFHSA-N 410.474 1.955 30 10 HDEE N#CC1(CNC(=O)Cn2ncn(-c3ccc(Br)cc3)c2=O)CCOCC1 1852360259 QHRKLOQJXHUQID-UHFFFAOYSA-N 420.267 1.233 30 10 HDEE CN1CCN(c2ccnc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)c2)CC1 1852769033 LJMDVIGYGRABFG-UHFFFAOYSA-N 419.429 1.318 30 10 HDEE COc1cc(OC)c(CCC(=O)N2CCN(c3nccc(C#N)n3)CC2)c(OC)c1 1852841165 FZVKPPXCBPSEJS-UHFFFAOYSA-N 411.462 1.655 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)C3CC4(CC(=O)C4)C3)C2=O)C1 1854336821 PYUYUUJECHKBIN-GOSISDBHSA-N 408.458 1.293 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cccc(-n3cnnn3)c2)C(=O)C12CCCC2 1854505558 GRMAXFJDIAQTSY-MRXNPFEDSA-N 407.478 1.952 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C1C(=O)CCCC1=O 1854899640 MOTVHPVMKBINJD-GFCCVEGCSA-N 401.850 1.770 30 10 HDEE CC1(C)CC[C@@H](N2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)C1=O 1854958994 KAIFECPYPWGZOB-RBUKOAKNSA-N 408.502 1.675 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)C4CC5(COC5)C4)C3=O)CC2)cc1 1855446693 ZOODRUHMHGSYIU-HXUWFJFHSA-N 409.486 1.956 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)CCS(=O)(=O)c3ccccc3)C2=O)CC1 1855606703 XOWUPISKSUQDFB-LJQANCHMSA-N 417.531 1.994 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(-n3cccn3)nn2)CCN1Cc1ccc(C#N)cc1 1855643033 XZSHPIRDQQWSPM-HNNXBMFYSA-N 401.430 1.407 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCN(c3cc(-n4cccc4)ncn3)CC2)C1=O 1856033807 DSCPDNBSQYUPMD-QGZVFWFLSA-N 407.478 1.211 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCN([C@H](C)CCC#N)[C@@H](C)C3=O)nn2)cc1 1856262298 IJMRJJOBTVFAOO-CVEARBPZSA-N 410.478 1.700 30 10 HDEE C[C@H](C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)c1ccccc1 1856652884 HQHVNXASMXWNLD-YOEHRIQHSA-N 405.476 1.703 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)C2CC3(CCOCC3)C2)C1=O 1856725248 KEVMRJBODSBMMO-QZTJIDSGSA-N 403.523 1.430 30 10 HDEE CS(=O)(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CC1 1856949129 YMYAOHBLQSKZAC-MRXNPFEDSA-N 403.504 1.446 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cccc(Cl)n2)C1)[C@@H]1CCN(C)C1=O 1857068203 MFKZCEYHELFJDV-GDBMZVCRSA-N 404.898 1.833 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(Cl)ccn2)C1)[C@H]1CCN(C)C1=O 1857069067 UUTHUIYLHJAESK-PBHICJAKSA-N 404.898 1.833 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)c2ccc(F)c(F)c2)C1=O 1857153384 NCSWMNLCWFKZNC-KRWDZBQOSA-N 412.400 1.188 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CC(=O)N(C(=O)CN3CCCC3=O)C2)CC1 1857250056 DLZKMUFEUWLJFR-MRXNPFEDSA-N 409.490 1.130 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCCOC3)C2)CC1 1857382196 ZSLPQNFSUQVDHR-HKUYNNGSSA-N 411.506 1.267 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N[C@H]3CCN(C(=O)c4cccc(C#N)c4)C3)ccc21 1858298404 NNNXGJPSRLFPMW-KRWDZBQOSA-N 424.482 1.270 30 10 HDEE Cc1cc2cc(CC(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)ccc2nc1O 1866915942 POAZMEYDNXESHF-IBGZPJMESA-N 404.426 1.779 30 10 HDEE C#CCOc1cn(CCc2ccc(F)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870559935 CWPRVKYBAOIHMT-UHFFFAOYSA-N 413.493 1.352 30 10 HDEE C=CCN=c1nc(N2C[C@@H](C)O[C@H](C)C2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622142 BQJVMMLTUUTTRO-HUUCEWRRSA-N 411.510 1.937 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1=O 1873010080 GSSNUHLQFGGPAX-AWEZNQCLSA-N 411.911 1.207 30 10 HDEE C=CCn1c(C(=O)NCc2cccnc2)cc2c(N3CCN(CCO)CC3)ncnc21 1873593782 ICWNTNDWPSXVMN-UHFFFAOYSA-N 421.505 1.057 30 10 HDEE NC(=O)CSc1nnc(COc2cc(F)ccc2F)n1/N=C/c1ccncc1 1874261492 IYOXKZXRRRCLDX-GZIVZEMBSA-N 404.402 1.990 30 10 HDEE CCCOc1ccccc1/C=N/n1c(CNC(C)=O)nnc1SCC(=O)OC 1874434219 UQENSNHBPJXDLT-KEBDBYFISA-N 405.480 1.850 30 10 HDEE COc1c(F)cc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1F 1889380503 HJLRZOBWOBSWBF-UHFFFAOYSA-N 421.488 1.845 30 10 HDEE N#CC1(c2ccc(C(=O)N3CCN(c4ccnc(N5CCOCC5)n4)CC3)cc2)CC1 1890281945 KTSKNTXRSWFVMT-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE C=CCNC(=O)c1nc(C(=O)NC[C@@H]2CN(c3ccc(F)cc3)C(=O)O2)cs1 1890313168 YSVMJNJYCOCSQH-CYBMUJFWSA-N 404.423 1.953 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985100292 DWDZJDTYGANKHX-HNNXBMFYSA-N 406.288 1.810 30 10 HDEE N#Cc1ccc(Br)cc1N1C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C1 2118194658 NMUOLUXYYPLSAU-GXSJLCMTSA-N 419.201 1.679 30 10 HDEE COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 2162601974 ZEHCTGNJSOZKSH-MCIONIFRSA-N 401.485 1.103 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)N(CC#N)CC(F)(F)F)C1 2181048995 KCYVPHHJPSCHOF-LLVKDONJSA-N 413.418 1.325 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1cnc(C)c(C#N)c1 2205587743 AXAJSDGHWVITCB-CABCVRRESA-N 412.537 1.891 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@H](N)C#Cc1ccccc1Br 2220260570 UKZJFQGGPZAZEF-RKVPGOIHSA-N 411.296 1.783 30 10 HDEE NCC#Cc1csnc1Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O 2227100324 ZNDHQFYGWFKCIG-UHFFFAOYSA-N 405.483 1.927 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CC(F)(F)C[C@H]2CC#N)CCS(=O)(=O)C1 2233992616 PYULGLQCZFUQPY-IAQYHMDHSA-N 407.439 1.218 30 10 HDEE CC1(C)OB(c2ccc(CN3CCO[C@H](CS(C)(=O)=O)C3)s2)OC1(C)C 2235402540 MAIFKYQHABYZRJ-ZDUSSCGKSA-N 401.359 1.293 30 10 HDEE CC1(C)OB(c2csc(CN3CCC[C@H](NS(C)(=O)=O)C3)c2)OC1(C)C 2235431159 MSEYZNXKACQFAS-AWEZNQCLSA-N 400.375 1.561 30 10 HDEE Cc1nc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2243389501 JLIFZFLSBHURHU-UHFFFAOYSA-N 419.234 1.254 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2243437035 QVQVJPWVPSHFCH-CABCVRRESA-N 408.304 1.355 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)COC1 2244548900 WEMBZQQNVRGOOC-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE CC[C@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)NC(=O)OC(C)(C)C 2247921534 QGSCTMBXZBJQSK-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2247931892 NUYAFCYMSNYRTI-UHFFFAOYSA-N 422.287 1.336 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@@](C)(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2267363986 RRYWXTROOMDOAZ-XMMPIXPASA-N 408.376 1.619 30 10 HDEE Cc1nnsc1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267372675 RUVJGCWPYKKDDO-UHFFFAOYSA-N 401.344 1.686 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267467533 DEUNDVSKMSTKPK-SECBINFHSA-N 410.128 1.952 30 10 HDEE C[C@@H](CC(=O)O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2269029539 ICJFXCVEHWZFIP-QMMMGPOBSA-N 409.722 1.842 30 10 HDEE CC(C)S(=O)(=O)CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282347902 DXRYUEDTJYJMIL-UHFFFAOYSA-N 423.387 1.149 30 10 HDEE Cn1c(Cl)cnc1CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282349893 FDLKRCGCFLDNNQ-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CC1(C)CCNC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502210 HTVZACGLMPHONA-CQSZACIVSA-N 400.375 1.714 30 10 HDEE COC1(OC)CC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282503260 XIMVNPGTBGRDPR-CYBMUJFWSA-N 403.331 1.477 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CO 2282506375 RGRWCIYLBVODLQ-JSGCOSHPSA-N 401.359 1.437 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@]3(CO)CCCO3)c2Cl)OC1(C)C 2282662565 CJZIKKROUZKNRB-QGZVFWFLSA-N 401.721 1.972 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2CN(C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282825152 HLAYRMAEHSQEQD-UHFFFAOYSA-N 400.375 1.586 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840844 PZYOJYVYVVUTJM-JPQMIFPKSA-N 422.403 1.019 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1CO 2282841449 UTQPOYHAEWRSBP-QWRGUYRKSA-N 421.777 1.950 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CN1 2282845656 XETHEVMBMJOJFF-STQMWFEESA-N 400.375 1.465 30 10 HDEE CC1(C)[C@@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282857655 LBMYUSOUQMWEBS-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282862763 IBMAZDUNMFMQRA-VWLOTQADSA-N 401.359 1.423 30 10 HDEE C=C(CS(=O)(=O)N(CCS(C)(=O)=O)C(C)(C)C)B1OC(C)(C)C(C)(C)O1 2282873236 IPXFQABPONWYMF-UHFFFAOYSA-N 409.379 1.649 30 10 HDEE CN(C)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282877158 NQVPSVGPSAYTNR-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](C4OCCO4)C3)c(O)cc2O)OC1(C)C 2282969091 YUHCKNMZFODIPS-GFCCVEGCSA-N 405.256 1.232 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@](C)(C(=O)O)C(F)F)s2)OC1(C)C 2284408646 AWKHSYOGHFMHPO-AWEZNQCLSA-N 411.257 1.434 30 10 HDEE CCSC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284411911 PXWWYSXPTRELKO-NSHDSACASA-N 421.371 1.532 30 10 HDEE NC(=O)C[C@H](NC(=O)COc1ccc2c(c1)OC(=Cc1cccs1)C2=O)C(=O)O 2297629096 MIOXQAJKXLSRJO-ZDUSSCGKSA-N 416.411 1.188 30 10 HDEE C=CC[C@@H](N)[C@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314268121 VHDUTBKDFRFDML-IAGOWNOFSA-N 405.520 1.616 30 10 HDEE CC(C)N1C[C@@H](c2nnc(S)n2N=Cc2ccccc2S(=O)(=O)O)CC1=O 2322038197 IXOFYQXXTRCXEJ-LBPRGKRZSA-N 409.493 1.420 30 10 HDEE C[C@@H](O)[C@@H]1C[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2359277266 ZKTPSZRGVVDYPJ-UHIISALHSA-N 401.721 1.687 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1 2365207853 ARFHFBHFBJEAFS-CVEARBPZSA-N 401.573 1.342 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245031 WZOJHWJYUFEUTQ-SCLBCKFNSA-N 405.513 1.976 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367792616 QCJGHHMDBQORQA-BZUAXINKSA-N 400.541 1.699 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367795121 KXMRXOUTVAKHEG-ARFHVFGLSA-N 400.541 1.427 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CO[C@@H](CNC(=O)OC(C)(C)C)C1 2367804368 SBFAEXCCOKZNAZ-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](N)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2380428879 WBRBVJZLILDMMJ-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CNc1snc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 27672414 CRUXUFVXRBKORW-UHFFFAOYSA-N 405.505 1.512 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H](C)n2c(N)nnc2SCC#N)oc(C)c1C(C)=O 40173552 ICNOQHBEEBROTO-MRVPVSSYSA-N 420.451 1.956 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Br)ccc1Br)/C(N)=N/O 40376621 VASJABHGWLIRFN-RXMQYKEDSA-N 401.080 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2ccccc2Br)CC1 52304739 JMXLVSQNCUGCFN-UHFFFAOYSA-N 409.328 1.698 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1CNS(=O)(=O)c1ccc(Cl)c(C#N)c1 56007814 PGGRELBOHUDWGX-UHFFFAOYSA-N 413.908 1.940 30 10 HDEE CCOc1cc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1O 169905777 DZTZMHLWUATMFH-CXUHLZMHSA-N 410.364 1.920 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(F)ccc2Br)CC1 434946190 HIIHSNNWGXNDPF-UHFFFAOYSA-N 420.304 1.197 30 10 HDEE CCN(C(=O)[C@H](C)n1c(C)nnc1-c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 443372178 JKRFQKCCDINIRS-GUYCJALGSA-N 401.492 1.722 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCC[C@@H]2CN2CCOCC2)c1 443470469 BJMGOFNVVICKKC-OAHLLOKOSA-N 414.325 1.806 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)NS(=O)(=O)c1cnn(C)c1 445970045 WDQSMGRHWWTOPZ-ZDUSSCGKSA-N 407.452 1.210 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccccc1-n1cnc(C#N)n1)C2=O 464646324 XTKYYHLRRNZGTK-UHFFFAOYSA-N 407.434 1.578 30 10 HDEE CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(-c2ccccc2C#N)cc1 477483379 JAUXARRUANYXGI-UHFFFAOYSA-N 421.544 1.926 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](OCCN2CCOCC2)C1 478878488 ZSVQACCHFYIZEZ-CTNGQTDRSA-N 401.507 1.911 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)n2)CC1 480421488 RHPQORKIHIEXRL-UHFFFAOYSA-N 401.898 1.894 30 10 HDEE CCOC(=O)c1c(NC(=O)N(C)CC(=O)NC(C)(C)C)c(C#N)cn1CCOC 481451833 BDOFTPHSSYHXTB-UHFFFAOYSA-N 407.471 1.561 30 10 HDEE N#CCNC(=O)CNC(=O)N[C@@H](Cc1ccc(F)cc1)[C@@H]1COc2ccccc2O1 490976845 WSQBPRUMXFDHED-LPHOPBHVSA-N 412.421 1.516 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)CC1 492336836 SKBKIQAKZDGXOT-GOSISDBHSA-N 401.507 1.422 30 10 HDEE COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505202555 FJQYYSMLXZPYPE-CQSZACIVSA-N 422.507 1.091 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)c3ccsc3)CC2)cc1 505593275 YFQLIWLKOMWJIQ-SFHVURJKSA-N 419.528 1.870 30 10 HDEE C=CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C#N)n2)CC1 508705731 KODHGUIVKSZVAE-UHFFFAOYSA-N 403.494 1.919 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H]1c1cccnc1 510098902 IWBSEZVNEDEWPX-URVUXULASA-N 403.486 1.838 30 10 HDEE N#Cc1ccc(F)c(CS(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 510604798 DGKMUPWNZBVKLY-KRWDZBQOSA-N 417.462 1.797 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)NC[C@H](CO)c2ccccc2)n1 513294759 UOCRKPKXMGISEW-OAHLLOKOSA-N 407.405 1.714 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)N1CCN(c2ncccc2C#N)CC1 519081772 GXMWDQQPPQKTNI-UHFFFAOYSA-N 405.462 1.449 30 10 HDEE Cc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1S(=O)(=O)NCC#N 519459354 HBYIQFFEYXREGA-IAGOWNOFSA-N 423.560 1.924 30 10 HDEE C=CCNC(=O)CN1CCN(CCC(=O)Nc2cccc(Br)c2)CC1 533216029 FOJYSWWWGCZXFA-UHFFFAOYSA-N 409.328 1.698 30 10 HDEE COC(=O)[C@@H](c1ccccc1F)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 533238279 GIGOGRMYLVAJLQ-LJQANCHMSA-N 417.462 1.918 30 10 HDEE C=CCN1CCC(NC(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 538369272 CVYLXKQLYXYMRC-SFTDATJTSA-N 411.550 1.535 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@@H]1O 549790277 SFPNWECWWZARFJ-MAUKXSAKSA-N 401.463 1.579 30 10 HDEE Cc1ccc(Br)c(S(=O)(=O)NCCNC(=O)c2ccnc(C#N)c2)c1 552752279 XWKGNIYXXQMVKU-UHFFFAOYSA-N 423.292 1.733 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 568653781 OZRACLHDDCJKDC-IRXDYDNUSA-N 421.567 1.595 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)CCC)C1 573088536 NNDRVIUTJZPXQD-HUUCEWRRSA-N 412.560 1.350 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cccc(C#N)c1 573531093 JMFFMPSZTLQMPB-INIZCTEOSA-N 407.492 1.559 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 586052197 AJNVNGJGPZWNMQ-QGZVFWFLSA-N 416.437 1.575 30 10 HDEE CCN1C(=O)COc2ccc(C(=O)[C@@H](C)[S@@](=O)CC(=O)N(C)CCC#N)cc21 586310452 XDQARJAWZVLYDM-QYSRSOONSA-N 405.476 1.124 30 10 HDEE Cc1cccc(NC(=O)[C@@H]2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)C2)n1 588962275 PBCLMJBOMZJPOM-QGZVFWFLSA-N 413.503 1.781 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2coc(-c3ccc(F)cc3)n2)CC1 604189383 PJPMAGNGRHLYQR-UHFFFAOYSA-N 415.469 1.653 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)CNc2ccc(C#N)cc2)CC1 609026216 SBKOREBAGGPNKY-UHFFFAOYSA-N 413.503 1.227 30 10 HDEE C#CCN(C(=O)c1ccc(N2CCN(CC)CC2)c(F)c1)[C@H]1CCS(=O)(=O)C1 729335981 YLTGLLXDWRTWIO-KRWDZBQOSA-N 407.511 1.230 30 10 HDEE COc1ccc(CCCNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1OC 732456738 TWCZTVKBIMWKRF-HNENSFHCSA-N 402.451 1.462 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@H](c2ccccc2Cl)C1 732465637 HKYWTKWMHHMIAM-FWSRSQSESA-N 404.854 1.949 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CCN1C1CC1 732647451 DUYMMEQQIQNBNV-MRXNPFEDSA-N 406.483 1.423 30 10 HDEE Cc1ccc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1S(=O)(=O)N1CCCCC1 732650500 UCJXBQFIBBQMMU-LJQANCHMSA-N 416.547 1.982 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(OCC)c1 743732097 KMYLGGVILYYXLK-UHFFFAOYSA-N 421.478 1.696 30 10 HDEE COc1cccc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 748064910 CQZRUKSIRWTIMU-INIZCTEOSA-N 416.503 1.860 30 10 HDEE N#C[C@@H](c1ccccc1)c1ccc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)cc1 755425069 YPRVYTKQZGZTGO-SFTDATJTSA-N 404.470 1.824 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 764399226 DYVRXVJKVRNAES-NUMWXTGKSA-N 421.860 1.883 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CCN(c4ccccc4C#N)CC3)C2=O)C(C)(C)O1 764960727 CUGUWYURCKWKOR-JOCHJYFZSA-N 411.506 1.906 30 10 HDEE COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)OCc2ccccc2)C1 766841037 QMZUMCXVTIALSB-ROUUACIJSA-N 401.463 1.897 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 773322048 MENZDZAXJZXLJP-UHFFFAOYSA-N 405.410 1.440 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc2nc(O)[nH]c2cc1Br)C(=O)O 776597791 RCDWPSXGFWKLDJ-QMMMGPOBSA-N 404.242 1.729 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 780853235 ABXGENYKUMSGLY-GOSISDBHSA-N 419.890 1.778 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N(CC(=O)O)Cc2ccncc2)c1 787933579 IZDYKEKEIIBGAJ-UHFFFAOYSA-N 410.249 1.991 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(=NOCc3ncccn3)CC2)cc1 790490444 DCGCVIPXWKOSTG-UHFFFAOYSA-N 403.464 1.792 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H](C(=O)N1CCN(C2CC2)[C@@H](C#N)C1)c1cnn(C)c1 796385367 SOGGDVOUZMRAEI-IRXDYDNUSA-N 402.499 1.527 30 10 HDEE CC(C)c1nn(C)cc1NC(=O)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 796991770 OTVTXIVCONQKNM-OLZOCXBDSA-N 404.471 1.357 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCCNS(=O)(=O)c2ccccc2Cl)cc1 799025467 WLVIXDZCZNUOQO-QGZVFWFLSA-N 407.879 1.730 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 799082000 SNYFHYGEWOQEMA-JSGCOSHPSA-N 402.310 1.749 30 10 HDEE C[C@@H]1CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CC(=O)N1C 800525802 RBWUJTSWADBHBS-MMOSJZJFSA-N 407.496 1.194 30 10 HDEE C#CCN(c1nnc(CCc2ccc(OC)cc2)n1CC)[C@H]1CCS(=O)(=O)C1 812031909 BLURRXVDPANGTF-KRWDZBQOSA-N 402.520 1.719 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)CCc1ccccc1Br 812495047 IKXYUCLNHYUFKA-CQSZACIVSA-N 420.350 1.444 30 10 HDEE Cn1ncc(-c2csc(=NC[C@H]3CCCO3)n2N=Cc2cnn(CC(F)F)c2)n1 814186452 GACBDFNDYXFPND-CYBMUJFWSA-N 422.465 1.769 30 10 HDEE Cc1cc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H]3CCN(O)C3=O)cc2)ccc1F 816695229 XXZYQSQIUANXJZ-MRXNPFEDSA-N 407.423 1.655 30 10 HDEE C#CCN1C(=O)C[C@H](N2CCC([C@@H]3C[C@@H]3NC(=O)OCc3ccccc3)CC2)C1=O 821771756 MOUBJLQFLRPAJY-UFYCRDLUSA-N 409.486 1.774 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H](c2cnn(C)c2)C1 849547545 IRDWJACAJWCWFB-FDFHNCONSA-N 406.534 1.692 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN([C@@H]3CCN(c4sccc4C#N)C3=O)C2)n1 856676882 LIBGIBHPFNRHAS-KUHUBIRLSA-N 401.492 1.740 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O 1128432516 LYGLXISKQKJNLO-LIRRHRJNSA-N 408.458 1.927 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC(=O)NCCN1CCCCCC1 1129343701 FQTIFSCRULGDEL-KRWDZBQOSA-N 423.558 1.682 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 1130627456 YMDPODTUEVSCAN-UHFFFAOYSA-N 414.911 1.764 30 10 HDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)CS(C)(=O)=O 1133592527 NIJYKAXFDDPEFV-UHFFFAOYSA-N 400.522 1.565 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2cc(I)ccc2-n2cnnn2)CCO1 1134267731 GFZLQIVONJQMKI-CQSZACIVSA-N 424.202 1.022 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)CC1 1136575164 MTNBMTMVIYKIFZ-GOEBONIOSA-N 410.565 1.280 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1138991623 SLGJPBRDTPQILU-HUUCEWRRSA-N 414.549 1.178 30 10 HDEE N#Cc1c(C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)[nH]c2ccccc12 1143439122 LTLHVIMUGPWNTE-UHFFFAOYSA-N 403.446 1.298 30 10 HDEE C#CCCN(CCOC)C(=O)CCNS(=O)(=O)c1cccc(Br)c1 1148757290 FZVZNJBVJRKUDX-UHFFFAOYSA-N 417.325 1.616 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1152166864 TXMOVNXPFJCGJJ-NRFANRHFSA-N 419.478 1.557 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1CC1CCOCC1 1158447518 HJOBQAOMGBXARF-MAUKXSAKSA-N 421.519 1.269 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1 1162475014 LHUMGBJDOAIJTG-BZSNNMDCSA-N 424.519 1.423 30 10 HDEE Cn1ccnc1[C@@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)c(F)c1 1180189294 LTYFFJOQGRDEAC-DMEQXSTQSA-N 415.400 1.820 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)CC2)c1 1230535883 SAKKTXNJVGSYHA-LJQANCHMSA-N 401.486 1.768 30 10 HDEE CC(C)(CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)CS(C)(=O)=O 1248595020 FXDXTALLKVBGSX-UHFFFAOYSA-N 409.512 1.326 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2cccc(S(=O)(=O)N3CCCN(C)CC3)c2)C1 1254608766 RJQQYIHDYITXGZ-SFHVURJKSA-N 422.551 1.822 30 10 HDEE COc1cccc(-n2cc(C(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C#N)nn2)c1 1265833323 AURUQAZBVRQKQD-OAHLLOKOSA-N 412.450 1.861 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1[C@]1(OCC)CCOC1 1286359775 JNKONQCQOUZBHP-UZLBHIALSA-N 416.482 1.613 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@@H]1C 1286446050 COGXECWJSHENCI-PXNSSMCTSA-N 411.506 1.971 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1Cc1ccn(C)n1 1286469732 XSWUAPSCXRKTAW-UHFFFAOYSA-N 413.507 1.137 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC(C)(C)C1 1286600764 QDQXVWACIFZKTF-CQSZACIVSA-N 417.601 1.813 30 10 HDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)CC1 1286628285 DSBLRVLCKNCKAN-UHFFFAOYSA-N 416.917 1.531 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H]1CCCN1S(C)(=O)=O 1286715118 CELNYEOZRSFNDK-OAHLLOKOSA-N 412.560 1.243 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286788695 CKAQQCQMRIFIGJ-UHFFFAOYSA-N 424.427 1.460 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286789690 VNRNYBCAUSQDBY-JOCHJYFZSA-N 424.505 1.039 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1286810947 YDKXFFSNOPXHOI-IAGOWNOFSA-N 410.540 1.388 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2([S@@](C)=O)CC2)C1 1286812566 QJLZHVOVEXUJHO-OHZJNBGDSA-N 407.540 1.093 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC[C@H]2CCOC2)CCOC1 1288321233 GYZQRGQJEHTSJZ-ABSDTBQOSA-N 405.499 1.474 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCc2n[nH]c(C)n2)c1 1290077165 GNIPXWWRLHNPIM-KRWDZBQOSA-N 408.466 1.564 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2ncccc2OCCCC#N)cc1 1292621317 MYCIFUGBOZHJCU-UHFFFAOYSA-N 416.459 1.884 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3ccnn3C)C2)s1 1296943831 XKDNUIFXJJDDCX-AWEZNQCLSA-N 408.549 1.895 30 10 HDEE C=CCC1(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCCC1 1297943585 RFUNBKPUBXMKEQ-UHFFFAOYSA-N 414.549 1.764 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCc2cn[nH]c2)C[C@H]1O 1299414327 ZIBIBCFKPGYZJR-QZTJIDSGSA-N 421.461 1.143 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)C1 1300019344 VFVHUZBQBMIFTP-AUSIDOKSSA-N 417.469 1.964 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1300299765 SSNQXMCODLGNRZ-MRXNPFEDSA-N 406.494 1.416 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1nccnc1C)[C@@H]1CCS(=O)(=O)C1 1300498134 HHXWSUIJVHIEDW-QGZVFWFLSA-N 416.551 1.444 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC(C)(C)C1 1300553624 LYXXGRXJAFGOKD-OALUTQOASA-N 415.538 1.186 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)[C@H](C)CC 1300665176 YISUQJKZTMUXGD-QVKFZJNVSA-N 417.510 1.889 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(C(=O)NCC)c2)CC1 1300700009 KMMRQAPETODMDD-HXUWFJFHSA-N 422.533 1.335 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCN1S(C)(=O)=O 1300824700 DYIJTTUYHNHRHT-HUUCEWRRSA-N 416.544 1.456 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(C)=O)C1 1301194705 ODRLTLYIOSEKPY-QGZVFWFLSA-N 404.515 1.098 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1301478888 QYBFRMRIGKLLBX-DNUAJFIVSA-N 400.527 1.733 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](C(=O)OC)C1 1301611950 IWRCQACJCWKILX-UONOGXRCSA-N 414.553 1.099 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@@H]1CO 1301951490 ADPYQUOJMNRITI-ZWKOTPCHSA-N 417.558 1.347 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@](F)(C#N)C1 1302496017 ULXLRWQCRZJGLR-GOSISDBHSA-N 417.470 1.198 30 10 HDEE CC(C)c1nnc(N2CCN3CCCC[C@@H]3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1302699811 HYIGICIKBQRWSX-OSCRUYLVSA-N 413.526 1.602 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC(F)F)CC1 1303001152 ODQWOPIJNBQXJC-ZDUSSCGKSA-N 403.455 1.202 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1303012823 IZZREZMHKYHGAO-AWEZNQCLSA-N 414.432 1.981 30 10 HDEE CC(C)NC(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303426320 NEUNSJJDCFMGBZ-UHFFFAOYSA-N 409.494 1.995 30 10 HDEE C#CCN1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1303793136 VPVGQKRHQQZJBN-UHFFFAOYSA-N 406.504 1.226 30 10 HDEE N#C[C@]12CN(c3ccc([N+](=O)[O-])c(OCc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1307222511 LLLUFEFLJSJRKV-HNAYVOBHSA-N 414.443 1.943 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1Br 1309341421 AVIAJJXYLPIZKE-SECBINFHSA-N 416.272 1.749 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(-c2ccc(C#N)cc2)n1 1312480030 HUGMSAMNXVRNQI-MSOLQXFVSA-N 413.503 1.820 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1313546802 BWDABXOBKSJTJN-UHFFFAOYSA-N 423.521 1.648 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCC[C@H]2CO)CCO1 1316538147 HPBYBZBMULYCRZ-IPMKNSEASA-N 418.542 1.485 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 1323676020 WREJHVNAEQKTJV-ZWKOTPCHSA-N 420.554 1.354 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CC1(C#N)CCOCC1 1348977007 HISZLDHVFIKUGQ-UHFFFAOYSA-N 407.492 1.665 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1359059148 BXDFWTLCYMYZEB-INIZCTEOSA-N 411.597 1.363 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1359183880 WYGDCYZJUVZDQI-INIZCTEOSA-N 415.546 1.729 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1359292465 PVCHKWCPRWGGOZ-HOTGVXAUSA-N 424.571 1.098 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1359333040 MWPJPUAQVLPYTQ-LJQANCHMSA-N 409.556 1.184 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(O)CCCCC1 1360680361 AFDSSAXWXDMHMB-CJNGLKHVSA-N 414.507 1.025 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1435553583 UWYUXARRVUVYAW-CQSZACIVSA-N 424.415 1.893 30 10 HDEE CS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1450397333 LIAXSEAUUFCHFP-LBPRGKRZSA-N 402.469 1.020 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1453118689 IEKOHLDXMOIQIA-UHFFFAOYSA-N 412.559 1.847 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1455056492 OJAAKQVXPUIAFN-YCRPNKLZSA-N 424.494 1.590 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1CCC(S(=O)(=O)N2CCCCC2)CC1 1456165297 RWZMIQRCFJFGTG-UHFFFAOYSA-N 421.519 1.752 30 10 HDEE N#Cc1cn(C2CN(C(=O)Cc3cccc(OCc4cccnc4)c3)C2)c(=O)nc1O 1457204625 XGTDUVDUOGUGRK-UHFFFAOYSA-N 417.425 1.421 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)cc(OC)c1OC 1458614710 NFESMNADUHFYLI-GXTWGEPZSA-N 411.480 1.065 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@](O)(c3ccc(Br)cc3)C2)CC1 1460890158 QYMHYVKRVAYWIM-HXUWFJFHSA-N 420.351 1.510 30 10 HDEE C=CC[C@@H]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1461772271 YCKGXZWAQLNOIC-QGZVFWFLSA-N 405.520 1.578 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N(CCC(F)(F)F)CC(=O)OC)c1 1463268755 AOJXKBFOWSAWFD-UHFFFAOYSA-N 408.398 1.719 30 10 HDEE COC(=O)c1ncccc1S(=O)(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1463496044 DNZPHQTXFGCDMO-OAHLLOKOSA-N 414.443 1.214 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC)c(C)c2)cc1 1463722340 HZZRDGSNNOIBEF-UHFFFAOYSA-N 408.501 1.394 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 1463926038 IEUJSPGITCWXNK-YOEHRIQHSA-N 400.522 1.341 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@H](O)c1cccc(Br)c1 1469510120 SLHYIYNALWTZLR-AWEZNQCLSA-N 405.314 1.725 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCC(=O)N[C@@H](C)C(=O)c1ccc(Br)cc1 1469816080 ZHJJBGOSHFIYSZ-BBRMVZONSA-N 423.307 1.807 30 10 HDEE N#Cc1cnn(C(=O)c2sccc2S(=O)(=O)N2CCc3ccccc3C2)c1N 1470612275 PBJOXMDJOYNFSP-UHFFFAOYSA-N 413.484 1.834 30 10 HDEE CC1(N2CCC2)CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1471520882 BKOWANZDYAEOKF-SFHVURJKSA-N 409.490 1.850 30 10 HDEE C#CC1(F)CN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 1471608334 GPCRTWTYBWCRCR-FQEVSTJZSA-N 405.429 1.684 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2C(=O)OC)c1 1472072720 NBWXEIBNVPMMRN-UHFFFAOYSA-N 402.472 1.910 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NCc1ccccc1OCC(=O)N1CCCC1 1474261194 FZFMUABQBPJEKW-UHFFFAOYSA-N 410.478 1.731 30 10 HDEE C#CCOc1ccccc1NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 1476430078 UOQVPGWSTPEOAR-UHFFFAOYSA-N 403.460 1.889 30 10 HDEE CCOCc1nnc(N(C)[C@H](C)CC#N)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1503002151 CNDIGGHXPWDBJZ-IKGGRYGDSA-N 418.521 1.899 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)CC1 1503822412 KQQFZHDPFVZIAL-UHFFFAOYSA-N 411.510 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc2c(c1)C(=O)NCC2 1507543108 ULMVRNNLNVUZBL-MRXNPFEDSA-N 417.517 1.932 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOCCOC)[C@H]1CCS(=O)(=O)C1 1507625795 AXHSLAYQWUHZNN-INIZCTEOSA-N 422.507 1.136 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1CCS(C)(=O)=O 1507708505 KIVWXMAJZUOIAC-UHFFFAOYSA-N 413.503 1.624 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC2([S@@](C)=O)CC2)CC1 1507734154 SIDLEGAMDRDMBT-WQIZZMQYSA-N 405.568 1.669 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1507763010 IOEUFHAHDLVTCH-JOCHJYFZSA-N 416.489 1.983 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C(C)C)CC3)n2Cc2ccc(C#N)o2)CCOC1 1516212224 MUELHSLPTGVKRA-NRFANRHFSA-N 414.510 1.974 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H](C1CC1)N(C)C 1516593267 YCIGKTSRSGXURL-LJQANCHMSA-N 424.553 1.748 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)(C)CC1 1517625123 GTZBWRIPQKFGPQ-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(Br)cnc1Br 1519772825 MLBXNFWGOVXIFV-UHFFFAOYSA-N 412.103 1.937 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 1525837646 BQPPBLWOQRFGTC-UHFFFAOYSA-N 404.366 1.899 30 10 HDEE C[C@H](C(=O)N[C@H]1Cc2ccc(C#N)cc2C1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1532962722 AQBTUBCGOJUGGT-KDOFPFPSSA-N 412.490 1.609 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 1535416956 BOIMTWHKPNQRLP-INIZCTEOSA-N 407.492 1.311 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2OC)n1CCNC(=O)c1cc[nH]n1 1538992412 QSTYPZBWIUQEBB-AWEZNQCLSA-N 423.477 1.573 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOC1=O 1539004956 XASVPCQKOUBOOE-CYBMUJFWSA-N 400.439 1.306 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539132804 RBURAAPBOMZTDE-CQSZACIVSA-N 421.548 1.306 30 10 HDEE C#CCCCn1c(N2CC[C@@H](N3CCCC3=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1539140475 OJSUCKUHVASRIT-GCJKJVERSA-N 415.538 1.933 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCOC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1539219881 OBVDKUDZPRHGLC-OKZBNKHCSA-N 424.567 1.155 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@H]1CCS(=O)(=O)C1 1539273601 YTFZPZWHNOLOCC-GOSISDBHSA-N 421.526 1.789 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1539324871 YSJMYHIPHQKGKY-LDSGZGKSSA-N 422.489 1.509 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOc2ccccc21 1539343210 HGOGDUWMDNDTBV-CVEARBPZSA-N 417.535 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@]2(OC)CCOC2)CC1 1539443939 BTYXVKLAPOHBAY-JOCHJYFZSA-N 411.506 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](CC)OC)CC1 1539481322 LBAFSBVXVLJMET-ROUUACIJSA-N 403.527 1.563 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1539541567 JAEMMHRJFQKUML-USCONSEESA-N 415.538 1.837 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1539918337 LEPHMURRLMNBOQ-LSDHHAIUSA-N 424.571 1.350 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1540042478 NXJFUFXLAVWRNL-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1540859770 GOMOVIRMMTWOCD-HNNXBMFYSA-N 404.515 1.938 30 10 HDEE CC(=O)NCCCn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1541097547 HKSQZDGIKZMWNN-HXUWFJFHSA-N 404.515 1.585 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CC(F)(F)CO1 1541104294 UHOVKXUDHYITTJ-OLZOCXBDSA-N 405.409 1.945 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)Cc1cnn(C)c1)N1CCOCC1 1541838878 DRMDUEHKNWSQOJ-QGZVFWFLSA-N 420.521 1.907 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1547311876 KHTHORIXYMCSTR-JKSUJKDBSA-N 410.434 1.409 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CCCS(C)(=O)=O 1552709573 NSORHMIBXSDQJJ-UHFFFAOYSA-N 418.523 1.166 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 1556457443 GEDXIKPDOYWPEE-GOSISDBHSA-N 412.471 1.075 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1561574965 LXXYIRDLVSFDAH-SJORKVTESA-N 414.549 1.791 30 10 HDEE C#CCC1(NS(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 1561938346 PBNJGXPYUVAIEU-UHFFFAOYSA-N 412.533 1.322 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 1563964782 ALMHJASWQQJBAL-GOSISDBHSA-N 408.499 1.462 30 10 HDEE C#C[C@@H](NC(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1)C1CCOCC1 1565106610 VOVIISMSRLKPQR-QFBILLFUSA-N 411.458 1.121 30 10 HDEE C#Cc1cccc(CNC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)c1 1583839741 NBEDYDQXQUPMIH-UHFFFAOYSA-N 401.488 1.177 30 10 HDEE C=CCn1cc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)nn1 1585555306 IBDZDDAZZIXXNR-UHFFFAOYSA-N 413.297 1.458 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(CCOC)CC1 1587879078 OARXABQBNQIGOO-UHFFFAOYSA-N 416.551 1.451 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1588138510 DWDRWKZOQYHIJJ-RBUKOAKNSA-N 417.579 1.373 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1589403515 AFKSBBBDPSPEDZ-NEPJUHHUSA-N 405.318 1.314 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CC(N)=O)C1 1594497386 GKSWTPXQSSYETI-CVEARBPZSA-N 423.583 1.874 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCc2oncc2C1 1595335536 UVRJOPKKIZLDJM-UHFFFAOYSA-N 414.491 1.932 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCCN(CC)C(=O)C1 1595523567 YSWQISNHQIOTHD-UHFFFAOYSA-N 412.494 1.315 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1595545504 YAUFPHZXOCTUSL-JHJVBQTASA-N 403.405 1.240 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccnc(OC2CCCC2)c1)c1cc[nH]n1 1595741345 GHLVHZAFOGXXIV-UHFFFAOYSA-N 415.450 1.726 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC[C@H](CO)O1 1596849586 HWVYKDCOCZMQRD-ZYSHUDEJSA-N 410.478 1.865 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)C1=O 1597805094 ZNDGFCMLZQNEGT-AEGPPILISA-N 418.247 1.180 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@@]1(C)COCCO1 1602821816 FWAMEDCOLYOYLW-NRFANRHFSA-N 411.510 1.800 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CC(C)(C)O)CCOC1 1610894013 GRSPWVKGUFLFCT-DYESRHJHSA-N 418.542 1.266 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CCOc2ccc(CC)cc21)c1cc[nH]n1 1611221612 GJUXWCOBUKAGQL-HNNXBMFYSA-N 400.435 1.896 30 10 HDEE Cc1nnc(N2CCC(CN(C)C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1612565162 CEOZGUHPKFUABN-FMQUCBEESA-N 415.542 1.670 30 10 HDEE C[C@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCO1 1612686939 GGILFTYAHUMIAM-RDJZCZTQSA-N 415.519 1.867 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H](C)OC(C)(C)C2)n1Cc1ccc(C#N)o1 1612895147 JMMHEFHFUDPTDX-OLZOCXBDSA-N 422.511 1.405 30 10 HDEE CCC(O)(CC)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1613665610 FDDHMQVVLALFDV-QGZVFWFLSA-N 409.494 1.582 30 10 HDEE CCO[C@@H]1C[C@@H](N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)C1(C)C 1616535437 ZCJNXXKWERUQEI-OOOBVYKPSA-N 402.499 1.753 30 10 HDEE COC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1CCCC1 1616555896 MEOLRGGLYCVVHF-QGZVFWFLSA-N 407.492 1.730 30 10 HDEE Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)Nc1nc2n(c1C#N)CCOC2 1617126233 PZSCDZDSWTZQEZ-UHFFFAOYSA-N 401.448 1.386 30 10 HDEE N#Cc1cccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)c1Br 1623302763 VFVVIURJNWWECQ-ZDUSSCGKSA-N 412.309 1.266 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1629566853 LABQHZATVOLCJU-YJBOKZPZSA-N 408.476 1.140 30 10 HDEE CCOC(=O)[C@@H]1CCCN(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1631610703 NJGNEXPDUXKFJZ-MRXNPFEDSA-N 414.506 1.733 30 10 HDEE CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1633190945 QWXXHHFXHOMVJJ-IERDGZPVSA-N 424.542 1.306 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(N2C(=O)N[C@](C)(C3CC3)C2=O)cc1 1636434423 LYHVSRONDXASQH-PGRDOPGGSA-N 412.490 1.999 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCCO[C@H]2CCC[C@H](C)C2)CC1 1636479446 BAZINYOEFWEYKQ-OALUTQOASA-N 413.584 1.754 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)NC(C)(C)C)cc1S(=O)(=O)NCC#N 1638939079 RKHOMDZGZHRQQZ-OAHLLOKOSA-N 406.508 1.316 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)Cc1nc(C)no1 1639513984 HZOIMSKWFUYSBO-CQSZACIVSA-N 405.480 1.634 30 10 HDEE Nc1nc(N2CC[C@@H](C(=O)NCC(F)(F)F)C2)nc(C(F)(F)C(F)(F)F)n1 1639815633 DWIQTSKPYIXUNB-RXMQYKEDSA-N 408.253 1.613 30 10 HDEE C[C@H](C#N)N(C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12)C1CC1 1640987416 XEYNGZLTDVPJFC-VDERGJSUSA-N 411.524 1.560 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)c(=O)nc1O 1641033792 IDNITRDAHAEWLX-RRFJBIMHSA-N 415.247 1.285 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@](C)(c2noc(C)n2)C2CC2)s1 1641502776 JMDYGXMWNUHVPS-QGZVFWFLSA-N 410.521 1.888 30 10 HDEE C#C[C@H](NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C1CCOCC1 1641858633 VGXDBDLEAYDFJZ-FUHWJXTLSA-N 409.527 1.587 30 10 HDEE COC(=O)c1ccc(N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)s1 1643329328 HUBUVGZAWXGGLS-INIZCTEOSA-N 401.488 1.968 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CCn2ncc(I)c2C1 1644632699 CUJGXMFAJHFOGZ-NHYWBVRUSA-N 415.279 1.746 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cncs1 1645895279 HOOBXLRPIJVBOI-CYBMUJFWSA-N 420.516 1.595 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1651802630 ZVKBNWOKENFNHK-IBGZPJMESA-N 403.548 1.618 30 10 HDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 1654222852 HYYQUOLZXYAMPN-XHSDSOJGSA-N 418.460 1.352 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCCN(C(=O)CNC(C)=O)CC1 1654469040 KZOVUNXPYZSYCV-MRXNPFEDSA-N 406.552 1.322 30 10 HDEE O=C(CN1CCC[C@@H]2OCCNC(=O)[C@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1654597458 KJMXURCUTGKFFH-WMZOPIPTSA-N 409.408 1.153 30 10 HDEE COC(=O)[C@H]1c2ccccc2OCCN1CCS(=O)(=O)c1ccc(C#N)cn1 1655787080 UOQZVOWPOXYABG-GOSISDBHSA-N 401.444 1.336 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)[C@H]1CCCO1 1663478252 QBJZGQYHRKGYPS-ZWKOTPCHSA-N 404.492 1.550 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1676058044 SWVQFDZYGSMHDF-SFHVURJKSA-N 404.536 1.368 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCC[S@@](=O)CC(F)(F)F)CC2)cc1 1682657073 PYKDLYYIQGPTQU-HHHXNRCGSA-N 402.442 1.696 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCC(n4cnnc4O)CC3)CC2)nc1 1685677198 DGMYYHUFFNHVRE-UHFFFAOYSA-N 411.466 1.987 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC2(CC1)CCN2C(=O)OC(C)(C)C 1685844247 NCBJZFGPDYEVPV-UHFFFAOYSA-N 401.529 1.772 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1689875133 KSWUKUKNQDBPCR-ULQDDVLXSA-N 408.572 1.365 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1689921210 YMSZJNHTCYSDFI-FQEVSTJZSA-N 405.466 1.036 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1689954452 ZOQAHECCLHEQDM-ZDUSSCGKSA-N 408.915 1.344 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689998332 JOPUCDRFZYJFEA-MRXNPFEDSA-N 422.455 1.471 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)NC1CC1 1690066532 JGDNVCMRYGVSQS-UHFFFAOYSA-N 419.493 1.439 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1690073744 FIPYDRZNCXOAIP-UHFFFAOYSA-N 408.462 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CCN2CCCC2)CC1 1690150421 GVXLCAOJYMYXCU-UHFFFAOYSA-N 421.549 1.326 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1690154594 TUZJVSGDKPTYHI-UYAOXDASSA-N 415.538 1.762 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690667037 OJDQPQXVONDWEL-MSOLQXFVSA-N 408.506 1.803 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690668217 WWZRETOMRAHNDV-UHFFFAOYSA-N 405.462 1.378 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@H]1CCOC1 1690997518 LMVJBARSPHKNEY-CVEARBPZSA-N 407.482 1.943 30 10 HDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CC1 1691413499 GNIMATVWVLYVNS-UHFFFAOYSA-N 422.493 1.886 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCOCC2)C1 1692851603 FYUWGRJVLMJSCK-LPHOPBHVSA-N 407.540 1.737 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CCCO1 1693758024 BTEYBCHPGXWGEP-CHWSQXEVSA-N 408.484 1.016 30 10 HDEE C[C@H]1OCC[C@]12CN(c1nnc(-c3cccc(C#N)c3)n1CCC(=O)N(C)C)CCO2 1693878671 GJPHNRQDICHXLA-ZHRRBRCNSA-N 424.505 1.679 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1694736414 XRTFDRKSDAUUJC-UHFFFAOYSA-N 406.450 1.174 30 10 HDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CC1 1695758331 FCZQIOOQENEDIN-MRXNPFEDSA-N 406.556 1.404 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(C(N)=O)nc1 1697557723 FZWNXTXZSZWNLB-OAQYLSRUSA-N 421.436 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCS(=O)(=O)C1 1705501223 GQEPJILIECOBEW-JKSUJKDBSA-N 418.519 1.758 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1705663032 UGMBICHYYLSAJL-MSOLQXFVSA-N 410.547 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](C(=O)OC)C1 1705706213 QYWHUNLNSKPAHD-FCEWJHQRSA-N 417.510 1.381 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1705926720 JPBCSLKCCNZQQA-WMZOPIPTSA-N 417.535 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC(CC#N)CC1 1705937331 QMIRLIGGEBGLDL-UHFFFAOYSA-N 414.535 1.995 30 10 HDEE CC(C)NC(=O)CN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(C#N)o2)CC1 1706650199 CHTZOWLZELOHLO-UHFFFAOYSA-N 422.493 1.433 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOCC1CC1 1709137633 ZTBKMDCDUYNULW-UHFFFAOYSA-N 412.542 1.897 30 10 HDEE COC[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)CCO1 1712278091 DPMIIVYZNUYYRU-MRXNPFEDSA-N 423.433 1.290 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1722362283 SIRMSIFCYDZWGI-IRXDYDNUSA-N 417.535 1.337 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN2CCC[C@@H]2C)CC1 1722446407 VIYDGPWLSNPNQK-KRWDZBQOSA-N 409.538 1.723 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)=C(C)C1 1722555558 LTVMMULZXZEVLK-OAHLLOKOSA-N 415.947 1.910 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)Cc1cccc(F)c1 1722630527 IAEYSCAMQDPEFA-UHFFFAOYSA-N 402.474 1.537 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1722691614 SATIWHJPXBLKQL-LSDHHAIUSA-N 416.530 1.668 30 10 HDEE N#CCNC(=O)CN1CCC([C@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1724509360 VDWXHVCLKQCFKK-SIFVSHMBSA-N 400.523 1.000 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1740623758 AJCGVQHZEBSYMC-MRXNPFEDSA-N 419.938 1.954 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCCN1CC)[C@H]1CCS(=O)(=O)C1 1740624369 IKRNZOUKQOKIMG-MOPGFXCFSA-N 419.595 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCC 1740636863 GSNLHFGZUDGNHU-UHFFFAOYSA-N 400.508 1.348 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CCN1CCCS1(=O)=O 1740683231 ZLHUGUUEJIDLSU-UHFFFAOYSA-N 417.535 1.375 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1740722308 DLWISMOVKSGQTB-FGTMMUONSA-N 405.568 1.653 30 10 HDEE CC(C)CSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C#N)C1 1741594561 IVUBSRAGWBEEOP-KGLIPLIRSA-N 416.573 1.006 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747791096 AOPICWVJAJETCS-CQSZACIVSA-N 401.448 1.923 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NC 1748922823 NDXIUECGSYELPG-UHFFFAOYSA-N 407.478 1.826 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CC2(NC(=O)OC(C)(C)C)COC2)CC1 1748973269 ZQZLXZAVEJPQHH-UHFFFAOYSA-N 418.542 1.450 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCO[C@@H]2C(=C)C)CC1 1748979323 YIOQYBUSBWJGSL-XUVXKRRUSA-N 417.554 1.739 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@]1(O)CCOC1 1749595767 IAYQRFLEZJCLTC-QFIPXVFZSA-N 424.505 1.921 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CCn1cccn1 1749676253 JWSAABSNUDHARJ-UHFFFAOYSA-N 419.493 1.152 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](CCC)OC)C1 1749713729 XILCJFOCBACVOG-GVDBMIGSSA-N 412.556 1.777 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2Cc2ncn(C)n2)C1 1749719689 ZLOKBGIIWNRUTC-HNNXBMFYSA-N 413.457 1.954 30 10 HDEE CC(C)NC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCO[C@H](C#N)C1 1750983322 FVTXIVQRHYJJCR-QGZVFWFLSA-N 422.493 1.160 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1760161578 JSTJQROBSGCKHT-UXHICEINSA-N 422.533 1.892 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1760189413 UGXCTDHQPLCUTE-JZXOWHBKSA-N 406.552 1.987 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1760263352 YEDFZYQVHSZYCH-OALUTQOASA-N 400.571 1.485 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760278964 MVJIIOOLLOVKRY-CABCVRRESA-N 400.508 1.585 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCCN(Cc2noc(C)n2)CC1 1760316493 SQZCBUWXDNDDEG-MJGOQNOKSA-N 401.515 1.971 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnn(C)n1 1760477814 LRGPALWOHGNQSW-INIZCTEOSA-N 423.481 1.002 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1760516337 LMDYCJKAKCSDNO-HZSPNIEDSA-N 419.448 1.939 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCOC2)nnc1N1CCS(=O)(=O)CC1 1760533956 XJWDEJMOYVXPLU-QGZVFWFLSA-N 418.519 1.630 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1760555602 IUFDTLJDYIHYTK-BBWFWOEESA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N(C)[C@H]1CCOC1 1760557946 BBVQNHQVIGWYRD-HNNXBMFYSA-N 424.498 1.822 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1766932915 SRRXMMHRWBDAIZ-LJQANCHMSA-N 423.521 1.206 30 10 HDEE COCCN(CCC#N)c1nnc(C)n1C[C@@H](c1ccc(C)o1)N1CCOCC1 1769836817 FAQLHAFLHKIVEF-SFHVURJKSA-N 402.499 1.928 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(CO)c1 1770216356 AKOGFCDYHPSLQB-FHWLQOOXSA-N 413.478 1.271 30 10 HDEE CS[C@H](C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1770410936 APQJLBNYZXFYCZ-IOASZLSFSA-N 400.574 1.770 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)OC 1770760769 FEHCVUOVNYMVJA-GBESFXJTSA-N 424.505 1.535 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@H]1C 1771137615 CUVCEZCVXHTWPH-MRXNPFEDSA-N 421.509 1.150 30 10 HDEE CS(=O)(=O)CCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1771353338 GUIAFINIMJKWFS-UHFFFAOYSA-N 415.523 1.183 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1772842536 YCVQMXYRKFUDAH-LPHOPBHVSA-N 423.521 1.710 30 10 HDEE Cc1ccc(C)c(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)c1 1848836697 SPBVDFRUHJCGIH-MRXNPFEDSA-N 404.474 1.665 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 1849292208 BWUDTKQONJYZNX-GDBMZVCRSA-N 410.467 1.557 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)[C@@H]1CCN(C)C1=O 1850863879 YHBBOQHZHQBBQH-WMLDXEAASA-N 401.463 1.302 30 10 HDEE C[C@H](NC(=O)Cc1cc(F)cc(F)c1)C(=O)O[C@H]1CON(c2ccc(C#N)cn2)C1 1851793604 QLQHADKAVNUWEY-YVEFUNNKSA-N 416.384 1.642 30 10 HDEE C=CCCN1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)C(=O)C12CCCC2 1853785626 IEXKGLGJPSAPMV-HNNXBMFYSA-N 402.520 1.840 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@@H](CN3CCN(c4ncccn4)CC3)CCC2=O)cc1 1853793578 RQJLPQIEICDEKV-GOSISDBHSA-N 404.474 1.549 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCN(C(=O)CN3CCOC3=O)C2=O)CC1 1853813953 MYNULAAKLLUPDG-SFHVURJKSA-N 410.474 1.514 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(OC)c(OC)c2)C1=O 1853828855 PEVQWFMBSGPEOH-IRXDYDNUSA-N 415.490 1.554 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)[C@H](F)CC2CCC2)C1=O 1854283615 JVGDDIBIGTXPMB-SJLPKXTDSA-N 414.485 1.515 30 10 HDEE CCS(=O)(=O)C1CN([C@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)C1 1854890772 HVAVRFUIVNDFCV-SFHVURJKSA-N 403.504 1.127 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855064756 NERZGOQBHKBGSG-WBVHZDCISA-N 409.490 1.626 30 10 HDEE Cn1ccc(C(=O)N2CCC[C@@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n1 1855133988 BDRCVEDLNVIKEN-HXUWFJFHSA-N 407.474 1.966 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)n1cccn1 1856081864 TYNHXYBREGUORP-AWEZNQCLSA-N 402.476 1.757 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1CCC#N 1856197962 CERLQQFQRBZHGT-HNNXBMFYSA-N 404.492 1.058 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1856451161 GIOVAQHXWQOMEZ-SFHVURJKSA-N 408.462 1.058 30 10 HDEE Cc1csc(CN2CCN([C@H]3CCN(C(=O)Cc4ccc(C#N)cc4)C3=O)CC2)n1 1856592204 IZVXRGANOWZWEO-IBGZPJMESA-N 423.542 1.811 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c(C)nc3ccccn23)C1)[C@@H]1CCN(C)C1=O 1857282125 RIQANJNOFPJOMT-DLBZAZTESA-N 409.490 1.350 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)CCC(F)(F)F 1857435750 NTENQGLVXYGPJZ-UHFFFAOYSA-N 418.397 1.298 30 10 HDEE Cc1cc2cc(CC(=O)N[C@H](CO)C(=O)Nc3ccc(C#N)cc3)ccc2nc1O 1866915857 NCRIJWWJARPWHY-LJQANCHMSA-N 404.426 1.779 30 10 HDEE N#Cc1nnn(Cc2ccccc2F)c1NS(=O)(=O)c1ccc2nc(O)oc2c1 1870095439 JXBZAIKKBPFEJX-UHFFFAOYSA-N 414.378 1.985 30 10 HDEE C=CCn1cc(OCc2c(C)noc2C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870563268 TUJHJHPSTVXISM-UHFFFAOYSA-N 400.479 1.882 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NC[C@H]3CCCO3)ncnc21 1875228462 PPQYYCKSJOPMMW-MRXNPFEDSA-N 417.510 1.943 30 10 HDEE C[C@H](C#N)c1cccc(C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)c1 1890102727 JNXHLLCKZUKKLH-QGZVFWFLSA-N 406.490 1.903 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 1890776201 ZJNAZZIHVRSLKH-LJQANCHMSA-N 403.548 1.643 30 10 HDEE CC(C)(C)OC(=O)NCC1CCN(CC(=O)NCB2OC(C)(C)C(C)(C)O2)CC1 1985103613 YCCPLZLASYPUKZ-UHFFFAOYSA-N 411.352 1.971 30 10 HDEE COC[C@H](C)NC(=NC[C@H]1OCCOC1(C)C)N1CCN(c2ccccn2)CC1 2087918104 PPXKJAYPWKGESB-ZWKOTPCHSA-N 405.543 1.378 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)c2ccc(C#N)cc2N)C1 2162562077 WMRNAXGOWAEQCG-ZDUSSCGKSA-N 412.537 1.771 30 10 HDEE C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174780768 YASULOYJAWNOQN-CABCVRRESA-N 401.529 1.872 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@@H](C)N1C(=O)OC(C)(C)C 2174785415 YTBPOXLWZRPZJZ-GASCZTMLSA-N 401.529 1.966 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)CC2(C#N)CCCCC2)C1 2174786069 GGFGLSVDJHSSEZ-UHFFFAOYSA-N 401.529 1.752 30 10 HDEE N#Cc1ccc(OC[C@@](N)(C(N)=O)C2(Br)CC2)c(Br)c1 2206610122 ZNFDHGZCXFHWRY-CYBMUJFWSA-N 403.074 1.810 30 10 HDEE CC(C)(C)OC(=O)N(CC(=O)NCC#CB1OC(C)(C)C(C)(C)O1)[C@@H]1CCOC1 2244923758 ZJVVSOMCOOAKRO-OAHLLOKOSA-N 408.304 1.763 30 10 HDEE CN(CC1CN(C(=O)OC(C)(C)C)C1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247827937 LBNAVIILHMOVRZ-UHFFFAOYSA-N 420.319 1.648 30 10 HDEE Cn1nc(C(=O)NCC2CN(Cc3ccccc3)C2)cc1B1OC(C)(C)C(C)(C)O1 2247918348 JURKRZOMWZPEED-UHFFFAOYSA-N 410.327 1.581 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCNC(=O)OC(C)(C)C 2247919206 SYHLRXUNNVIQEJ-UHFFFAOYSA-N 422.335 1.672 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CC[C@@H](CC#N)C1)NC(=O)OCc1ccccc1 2258154082 BGYIQOIJRQKDGD-GDBMZVCRSA-N 409.464 1.020 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC=C[C@H](O)C3)cc2Cl)OC1(C)C 2267354173 AIKDMBUXGMHFOQ-JTQLQIEISA-N 405.734 1.622 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N1CCC[C@@](C)(C#N)C1)NC(=O)OCc1ccccc1 2270542662 ZDIHIEBERYSEHC-APWZRJJASA-N 423.491 1.410 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281806328 IRQPNADNGPLHKN-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE C[C@H](CNC(=O)c1cc(Cl)cc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2281816906 DSJRDERTBUMMIU-LLVKDONJSA-N 401.721 1.802 30 10 HDEE CC1(C)CC[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)N1 2282338092 LKUUNFIOTYMRQX-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CN1CC[C@@H]1CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282499304 BRLGIHNTJRHTOU-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NC[C@H](C)[S@](C)=O 2282507350 GKYIUIYJVPPSQE-CANCMXDXSA-N 401.359 1.340 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@@H](O)C3)ccc2Cl)OC1(C)C 2282511280 LGRDOLVTVBDLMN-TXEJJXNPSA-N 401.721 1.688 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)S(C)(=O)=O 2282584814 GPTSYVFDUCWFGV-UHFFFAOYSA-N 402.347 1.304 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830739 ZIXXSZLLIGAGDL-INIZCTEOSA-N 421.415 1.748 30 10 HDEE CC(C)(C)N(CC(=O)O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284415421 OCFFYRFIYCUTRD-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2302853348 XIJDASJMFOADKJ-CQSZACIVSA-N 413.283 1.835 30 10 HDEE CC[C@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203310 IRSYEIGNNCHUTO-KXBFYZLASA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367785124 CPAXIRZQWIMJAO-UONOGXRCSA-N 413.565 1.877 30 10 HDEE CO[C@@]1([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN(C(=O)OC(C)(C)C)C1 2367785276 RFFXVZWWDITFGI-BEFAXECRSA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367809063 JMSDTMXXVSWHSU-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NC1C[C@@H]2CSC[C@H](C1)C2(N)C#CC1(S(C)(=O)=O)CC1 2367813882 BAVQNHUAXGQFEM-WWMCIYDGSA-N 414.593 1.931 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 2367825624 QVXQHGFEUZEEJL-JKSUJKDBSA-N 400.541 1.163 30 10 HDEE CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)Nc3n[nH]c(CC#N)c3C#N)cc21 71538582 DMFRIFYSZAWIOC-SNVBAGLBSA-N 400.420 1.282 30 10 HDEE C=CCn1c(=O)[nH]c(O)c(C2=NN(C(=O)CC)[C@@H](c3ccc4c(c3)OCO4)C2)c1=O 101764793 FEZSVQVMQMPHDP-CYBMUJFWSA-N 412.402 1.245 30 10 HDEE C[C@H](c1ccccc1)N1C(=O)[C@@H]2ON(CCC(N)=O)[C@@H](c3cccc(C#N)c3)[C@H]2C1=O 102439296 WHBOYFHYJAJQDA-MSPZUWAUSA-N 418.453 1.837 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(C3CCC3)c2=O)c1 430984770 GIRSCKQLFMVOIO-UHFFFAOYSA-N 412.515 1.375 30 10 HDEE C=CCNc1ncc(C(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)s1 432933241 MKNKWYOMQYWGQO-UHFFFAOYSA-N 421.548 1.612 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(Cl)c(C#N)c1 438951713 UCODNROVSREECW-KBXIAJHMSA-N 412.851 1.325 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC1CC1)CC1CC1 460934558 SMXVQBBISCTGPN-QGZVFWFLSA-N 409.556 1.814 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H](O)C(F)F)nnc12 475223887 LUQHBJDKDACMGJ-LBPRGKRZSA-N 409.418 1.065 30 10 HDEE CS(=O)(=O)CCCS(=O)(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 480600900 KKEFBFJGVWQFMT-INIZCTEOSA-N 419.956 1.287 30 10 HDEE CCOCCCNC(=O)C1CCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481060016 PKKAGLQWYIYCDD-UHFFFAOYSA-N 411.499 1.782 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1C#N 489063104 WMGPJWORGQTUBM-HOTGVXAUSA-N 419.551 1.073 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)CCc3nc4ccccc4oc3=O)C2=O)cc1 489234146 IDUYMXHIQHVQAL-GOSISDBHSA-N 416.437 1.910 30 10 HDEE CNC(=O)[C@@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)C(C)C 489246489 BXWFYPFKRFLRAB-YWZLYKJASA-N 415.538 1.716 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3C[C@H](CO)c4ccccc43)C2=O)cc1 498328572 CGZXNZIWUHJCEH-CRAIPNDOSA-N 404.426 1.886 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)CC1 501090186 FJARKKPUYRQBLA-HXUWFJFHSA-N 407.522 1.568 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccncc2OC)CC1 508916896 ALSFBZBQLVSXAB-OAHLLOKOSA-N 418.523 1.096 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](C#N)C3CC3)CC2)cc1 519484065 RZELEGKBIFYGLW-GOSISDBHSA-N 418.519 1.027 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](Cc3ccc(F)cc3)C(N)=O)cc2C1=O 521033475 ZVEGEYDORYTTBI-OAHLLOKOSA-N 409.417 1.682 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 521111378 GXXUBODDJAQULJ-WBVHZDCISA-N 421.475 1.145 30 10 HDEE C[C@@H](C(=O)N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(c2ncccc2C#N)CC1 532758378 LIETYOQMUPDOHC-UGKGYDQZSA-N 418.545 1.854 30 10 HDEE Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 544660980 SCFSBTYLMBFUNX-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE CN(C)C(=O)COc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546878553 GEBCIUPJKPSRMX-UHFFFAOYSA-N 422.489 1.452 30 10 HDEE CCn1c(CC2CC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 549089531 BVDWGWGZFCHPPS-UHFFFAOYSA-N 400.508 1.633 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2C)c(=O)n1C[C@H]1CCCO1 603798476 MIARIKKNVOIDJS-QGZVFWFLSA-N 409.511 1.203 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(C)c(NC(=O)NC(C)(C)C)c2)CC1 607105174 MRGIUKICWMPKIO-UHFFFAOYSA-N 415.538 1.975 30 10 HDEE C=CCc1cc(C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)cc(OC)c1OC 683369748 JXQSEBPMFCCQTL-UHFFFAOYSA-N 402.451 1.449 30 10 HDEE COc1ccc(CN2C[C@H](COS(C)(=O)=O)[C@@H](C(=O)OC(C)(C)C)C2=O)cc1 725238753 YWSXETBADWNIGN-GDBMZVCRSA-N 413.492 1.588 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@H]1CSCN1C(C)=O 730309960 KHVWFVUOWTVVSC-MRXNPFEDSA-N 422.507 1.416 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)c1 731988910 JRCKZHYIGNKOAG-WEBJUUICSA-N 421.482 1.866 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 732224694 HYJMYYCMLQHGRB-HNNXBMFYSA-N 409.508 1.890 30 10 HDEE CCN(CC)[C@H](CNC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccsc1 732447832 AEJPBLJHCMLFEE-BQASMSSTSA-N 405.524 1.957 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(c2ccccc2Cl)CC1 732465148 FDZLKANTULZDIE-ISLYRVAYSA-N 403.870 1.698 30 10 HDEE C#CCCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1 733248141 LDMSIFQKVLRBFV-UHFFFAOYSA-N 411.527 1.946 30 10 HDEE Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CCN/C(O)=C1/N=CC=CC1=O 746200736 CAYOWDJEGNFAON-ZJYNUGOYSA-N 414.487 1.752 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O 750132689 CEINBANUNYCGBJ-MGPWXQLLSA-N 402.838 1.478 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@@H](C(=O)N3CCCC3)C2)C1 758771157 ZEMKHRGPGVRCKV-IXDOHACOSA-N 419.526 1.789 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 760554167 YJRNACAKIZSTFC-JOCHJYFZSA-N 415.457 1.372 30 10 HDEE N#Cc1cccnc1NCCNC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 762963809 ZGXQPGHEUXQUEO-UHFFFAOYSA-N 418.326 1.940 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)OCC[C@@H]3C2)c1 763416847 FHHBLTODDIVKEE-GFCCVEGCSA-N 400.254 1.536 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2-n2ccc(C(=O)O)n2)cc1 766993213 FBCNQLRBWNFLSX-UHFFFAOYSA-N 424.438 1.734 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2ccc(CCNC(=O)CC(C)C)s2)CC1 769638031 NRHUWBXRJBUQDN-UHFFFAOYSA-N 411.593 1.783 30 10 HDEE C#CCN(C(=O)NC1CCN([C@@H](C)c2ccncc2)CC1)[C@@H]1CCS(=O)(=O)C1 774255364 YGJJGYRHGRDGTN-QFBILLFUSA-N 404.536 1.439 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)cc1C#N 774338487 RXCKMPABYIUZSQ-OAHLLOKOSA-N 420.425 1.027 30 10 HDEE N#CCOc1ccc(Cl)cc1CN1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 779622905 SYGBIVKAJIIOHS-QGZVFWFLSA-N 413.927 1.869 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)NCc1cccc(C#N)c1)CC2 786809234 IFLSKIUZRYZGMW-UHFFFAOYSA-N 423.469 1.793 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1 789892416 MANHDQSVVLOCNQ-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NCCNc2ncccc2C#N)[C@@H]1c1cncn1C 793185861 BGXAFFXUBOOZKA-VQIMIIECSA-N 409.494 1.605 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 800788298 ZFBWRXKOFWPERC-NRFANRHFSA-N 410.478 1.607 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCC[C@@H](c3ccnc(N)n3)C2)ccc1F 803233575 ASWBPMSMROHXCH-CQSZACIVSA-N 419.482 1.682 30 10 HDEE C#CCC(CC#C)C(=O)OCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1 803700603 WUPQFBRDCOJXRQ-UHFFFAOYSA-N 405.472 1.292 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)c1ncsc1Br 805918219 MAJOGWLUUPPJRT-UHFFFAOYSA-N 402.251 1.905 30 10 HDEE CCc1cc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)C2)ncn1 806269128 FKQSCHUIZFLTTR-SFHVURJKSA-N 422.489 1.321 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc1)[C@H]1CCCO1 806746897 WJNUAMPZBLGLQO-FHLIZLRMSA-N 417.462 1.297 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C(=O)OC(C)C)c1 808283425 ZOIAULKOSRPKQA-HNNXBMFYSA-N 413.517 1.371 30 10 HDEE Cc1cc(=O)c(-c2noc(C/N=C3/NS(=O)(=O)c4ccccc43)n2)c2n1CCC2 813341778 PBQRIKRJQYQDES-UHFFFAOYSA-N 411.443 1.392 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)cc1C#N 813704948 BOENPSASEOKTGX-HZPDHXFCSA-N 408.480 1.320 30 10 HDEE CCCc1c(NC(=O)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3C(=O)OC)cnn1-c1cccc(C#N)c1 815706339 CGTQEIOSDULBSG-MNZLEMJZSA-N 421.457 1.512 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccc(CO)n1 819705949 LCYOAHMFCHQIAG-QGZVFWFLSA-N 416.503 1.344 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCC(=O)N2CCC(c3ccccc3)=N2)cc1 916179682 OHMFSMPCEOOVQM-UHFFFAOYSA-N 424.482 1.921 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)CC2)c(Cl)c1 1128440815 XRSXHPVTMTVWOH-XLIONFOSSA-N 418.925 1.740 30 10 HDEE O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)c2cccc(C#CCO)c2)cc1 1136245426 NCNXKCSTXNLMMF-UHFFFAOYSA-N 420.425 1.163 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCOCC(N)=O 1137386868 QEYZBIRFFDRUJP-KRWDZBQOSA-N 402.451 1.011 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)CC1 1142958633 OURUTNPFRFTESL-RTBURBONSA-N 405.539 1.695 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(C(F)(F)F)n3c2CCCC3)CC1 1144025892 GQUHZAUPGLNWBN-UHFFFAOYSA-N 411.428 1.136 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCN(CCc4ccncc4)CC3)CC2=O)cc1 1150245600 DEJFIQQIKXOSBO-HXUWFJFHSA-N 403.486 1.693 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(=O)c(O)co1 1158245364 GZSVPAVCCHCJPM-UHFFFAOYSA-N 419.459 1.261 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C[C@H]1C 1163177216 LDSHFLIFAIVCQT-CALCHBBNSA-N 407.536 1.945 30 10 HDEE Cc1occc(=O)c1OCC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1165557906 CDSJITQUYRVNJE-UHFFFAOYSA-N 419.441 1.938 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnc(OC)c(Br)c2C)C1=O 1166003860 QVRLACCMCOLWIY-UHFFFAOYSA-N 411.212 1.076 30 10 HDEE Cc1cc(F)c(C(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1F 1166615014 QNMWVJVDQCVATI-UHFFFAOYSA-N 419.384 1.693 30 10 HDEE CON=Cc1ccc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc1 1167025047 VATBIUDJNGWAEC-FQEVSTJZSA-N 407.467 1.395 30 10 HDEE Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)Cc2cccc(OCC#N)c2)cn1 1177712911 KUKRERGMNOTZAY-GOSISDBHSA-N 402.476 1.253 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(F)(F)F 1178329815 CNQNOJCKBKZCJA-KBPBESRZSA-N 409.368 1.497 30 10 HDEE C#CCCN1CCC(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1182809793 VJXMNSSBHWPOTO-IBGZPJMESA-N 414.506 1.151 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 1204972694 MMGXWQZWMOAHEY-XKQJLSEDSA-N 405.451 1.460 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)NCc1ccccc1 1220948191 WVNBKGPUCBKGSE-UHFFFAOYSA-N 409.508 1.093 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1 1230168661 XDRVBDBAWDPHOZ-RDJZCZTQSA-N 406.527 1.851 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)CS(C)(=O)=O 1233853133 OCUIJJZUPLYTEC-QWHCGFSZSA-N 402.517 1.115 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286271044 QEHKWPDEXHCQRE-LSDHHAIUSA-N 412.460 1.856 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC(=O)N1CCOCC1 1286303775 CWAVPMKUVSEACX-MRXNPFEDSA-N 413.478 1.182 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1286367919 SNAGEXSGJWXIPM-NRFANRHFSA-N 400.479 1.963 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(-n2cncn2)c1 1286382981 USYHKFCRGBDDBU-HKUYNNGSSA-N 407.478 1.701 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(CC)CC)[C@@H]1CCS(=O)(=O)C1 1286386359 YWFXLOVFEDOVLL-QGZVFWFLSA-N 409.600 1.934 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CC[C@](C)(CC)O1)[C@@H]1CCS(=O)(=O)C1 1286394739 KDZQIIXMUMXIGF-UWVAXJGDSA-N 424.567 1.789 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1286495419 VFWSTVGZPDTKIP-IAGOWNOFSA-N 403.552 1.886 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286542202 RNOVJHQXEOGIFK-MCIONIFRSA-N 410.316 1.653 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1286613628 DAFMNMAQPRJMGH-UWJYYQICSA-N 421.542 1.485 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1286693514 RQNKBOXTMZLWFI-HZPDHXFCSA-N 411.572 1.986 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286705205 UBSXYZWTUXTYEC-FOIQADDNSA-N 402.499 1.910 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC(NC(C)=O)CC1 1286786903 LOQZHOHASLFWBR-UHFFFAOYSA-N 421.505 1.834 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N(C)OC 1286787818 JVTOZSXQYXQOCW-AWEZNQCLSA-N 408.503 1.692 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1 1286789098 AEUIWZZWZFSJKK-UHFFFAOYSA-N 424.477 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCC(CO)CC1 1286816375 HZLVBWOIDRLBLT-UHFFFAOYSA-N 420.535 1.763 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1cc(C(C)(C)C)no1 1288774461 YOZNGFASMSTXHO-OLZOCXBDSA-N 423.543 1.960 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc3ccccc3nc2OCCC)CC1 1292889830 MJDPGKOVDNEXFE-UHFFFAOYSA-N 408.502 1.921 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)ccc21 1296487910 KEPMVJKNLGHJSV-PKOBYXMFSA-N 420.473 1.638 30 10 HDEE CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1297705847 RIXSFKVEJBFQSW-UHFFFAOYSA-N 415.523 1.183 30 10 HDEE C=CCC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1297800879 DWAOREMGGSGLHY-CQSZACIVSA-N 401.916 1.579 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1299333880 IXTFPSYEAQAKFE-GOSISDBHSA-N 410.478 1.732 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1300475363 HPETVJNXGWBLIX-UHFFFAOYSA-N 409.487 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(C)c1C 1300674636 AWRCGSVVRPYXCR-UHFFFAOYSA-N 419.489 1.905 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@](C)=O)CCC2)C1 1301536442 WIRZQFGBGZRFCY-OFJJUDJNSA-N 421.567 1.597 30 10 HDEE COCCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1COCCO1 1301812002 CVPDIBNFNCVFBE-SFHVURJKSA-N 401.467 1.331 30 10 HDEE C=C(C)C[C@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1303111611 LIWNNDSOZXKZPF-HRAATJIYSA-N 401.463 1.776 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1305551036 RXIKVYCMDISBMK-MOPGFXCFSA-N 403.575 1.938 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCCC(=O)NC2CCN(C(=O)OCC)CC2)cc1 1309057662 KHFWEKJNZDUWCI-UHFFFAOYSA-N 421.519 1.464 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)cc1F 1309496052 FTMTWZHUECRTGF-NWDGAFQWSA-N 405.373 1.729 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(Cl)nc2)nnc1N(C)C[C@@H](C)C#N 1314554161 FEGVSCLZBWEMIK-LBPRGKRZSA-N 411.919 1.529 30 10 HDEE CN(c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1314678929 XYCSJNHADLPJEI-VLGSPTGOSA-N 422.449 1.050 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@](C)(O)c1cccs1 1316208971 IFPJZIOQMKQMEA-VCBZYWHSSA-N 421.523 1.700 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(Cc3cccnc3)n2CC2(O)CC2)c1 1358902973 HACOBIKITAEKNV-UHFFFAOYSA-N 416.485 1.845 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCCN1CCC)[C@H]1CCS(=O)(=O)C1 1358963630 LIZIQNUKOVSMLC-OALUTQOASA-N 421.611 1.978 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N1CCS(=O)(=O)CC1 1359098709 FBFRMPJXBUYOAO-ULQDDVLXSA-N 410.540 1.736 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359222043 WTUBDJUGHFSIIM-ZWKOTPCHSA-N 420.558 1.166 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1359229151 ABRMMGICLLBARU-UTKZUKDTSA-N 421.542 1.580 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)OCC)C1 1359321468 GSGSBEGQXJSRIR-CVEARBPZSA-N 412.556 1.777 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(C)CN(C)C2=O)C1 1359327030 PWCPCVLNZMSEAJ-DLRJPAPCSA-N 419.526 1.262 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1447480883 HAMLQXUALNNVLN-IHRRRGAJSA-N 412.487 1.401 30 10 HDEE CCOC(=O)[C@H](C[C@@H](C)CC)NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1455822147 BSIOZXOKRHMMAK-VBQJREDUSA-N 409.508 1.709 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)c1 1456233892 LCOVETRYSQVASW-QHCPKHFHSA-N 407.470 1.656 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CO1 1456676547 SMGUZXDDNSUHBK-HUUCEWRRSA-N 400.435 1.578 30 10 HDEE Cc1ccc(NC(=O)c2nnc(CN3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1 1460881022 LLSCVGRBFHRPFD-SCLBCKFNSA-N 417.516 1.469 30 10 HDEE CC(=O)N1CCC[C@@H](CNS(=O)(=O)c2cc(Br)ccc2C#N)C1 1463630995 HJTGPLPZLCUNHS-LBPRGKRZSA-N 400.298 1.858 30 10 HDEE N#CC1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 1464560568 NDFJDFAWNMNVIS-UHFFFAOYSA-N 408.203 1.643 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 1469815994 YJWZBGKSXKYGSP-JTQLQIEISA-N 412.817 1.528 30 10 HDEE COC(=O)[C@@H]1CC[C@H](NC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1471932972 HHJVJLLCMWAUPY-IJEWVQPXSA-N 421.519 1.598 30 10 HDEE C=CCOc1ccc(CC(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1472222282 KLUQJNQLYXUKST-NGEICVOHSA-N 406.504 1.121 30 10 HDEE C=CCN1CC[C@@H](N2CCC[C@@H](n3cc(CNC(=O)OC(C)(C)C)nn3)C2)C1=O 1473528654 YFZHFLZXRLKTOE-IAGOWNOFSA-N 404.515 1.727 30 10 HDEE COC(=O)[C@H]1CSCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1473801221 HBJSSHBURFEUSR-HUUCEWRRSA-N 408.549 1.047 30 10 HDEE CNC(=O)Cc1noc(CN2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1473847868 GHWKDHBYGLOCRY-BQBZGAKWSA-N 422.276 1.961 30 10 HDEE C[C@@H](CN1CCN(C)CC1)NS(=O)(=O)c1ccc(Br)c(C#N)c1 1474943700 DVPRSFRFPSMNPA-LBPRGKRZSA-N 401.330 1.235 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2C)cc1 1476011288 OZQKRQXAPUHVAC-XEFZIOHMSA-N 406.508 1.785 30 10 HDEE C=CCN(CCC#N)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 1476308747 DHMRPDMXXJNGCT-UHFFFAOYSA-N 421.523 1.707 30 10 HDEE C#C[C@H](NC(=O)N1CCC(S(N)(=O)=O)CC1)c1ccc(Br)cc1 1478895277 BHHZDPPUJBVSFY-AWEZNQCLSA-N 400.298 1.586 30 10 HDEE Cc1ccccc1[C@@H]1CN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1492574326 PXUAGOIEEORAKT-WCZGFUKNSA-N 422.489 1.999 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CCCCS1(=O)=O 1492900754 AYDNXJGMZBFBJC-KRWDZBQOSA-N 415.523 1.147 30 10 HDEE CCOCc1nnc(N2CCc3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503072618 GCTZDJMAWJLMRP-MRCUWXFGSA-N 422.489 1.904 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1503404075 XZBROGAQXJMHGE-RBUKOAKNSA-N 423.521 1.110 30 10 HDEE N#CC1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N2CCOCC2)CC1 1505319988 BFRRMMOMUBWHIU-UHFFFAOYSA-N 409.494 1.253 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[S@@](=O)CC 1507660520 AABJOSJXVIDJIS-NGOKVRLYSA-N 406.552 1.550 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccoc2)n1 1507716281 JBHHEBDTRIVTAT-SFHVURJKSA-N 423.477 1.353 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2c(C)coc2C)CC1 1507721102 YHEKMCCFKRMZSE-QFIPXVFZSA-N 413.522 1.944 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCNC(C)=O)CC1 1507727724 SRRZMJPBFPFMHN-UHFFFAOYSA-N 424.549 1.755 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1507966296 WTNPTQTVQGEKAA-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCCN1S(C)(=O)=O 1508039991 MLCHWRRTUUTOPN-OAHLLOKOSA-N 408.528 1.336 30 10 HDEE Cc1nc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)sc1C 1510420004 GRYLALLVCLOIMV-UGSOOPFHSA-N 403.487 1.987 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H]2COCCO2)C[C@H](C)O1 1512497175 HJSKAKFATAEDMV-TXPKVOOTSA-N 413.478 1.758 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1525108984 DKQYQWKKSFVEIB-LBPRGKRZSA-N 401.282 1.174 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(CC#N)cc3)cnc21 1526664603 HYFFAXRAVYHRHC-UHFFFAOYSA-N 415.251 1.275 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1C 1527345489 HFFJQALKBLWFPR-KRWDZBQOSA-N 415.519 1.844 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@]2(C[C@@H](C)CC(C)(C)C2)C1=O 1531581764 WQFBMXQFWMTGPW-NYHFZMIOSA-N 419.522 1.927 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nn(CC)cc2C(=O)OCC)ccc1F 1537750825 WHZZKWQNWRIHNQ-UHFFFAOYSA-N 424.454 1.935 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)C2=O)cc1 1538383248 DFSDXYXJPPJOFT-AABGKKOBSA-N 412.490 1.050 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C1CCN(C)CC1 1538519884 NWCJYNJRDAVYJV-KRWDZBQOSA-N 420.579 1.615 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2CCC(C)(C)O)c1 1539040193 ODRUHMWTJLTTDL-UHFFFAOYSA-N 421.505 1.896 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1539071811 DYLIOCBNVFBNBX-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@H]1CC(=O)N(CCOC)C1 1539253203 OGYRTMXMCKRVGO-QGZVFWFLSA-N 409.465 1.652 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(SC)CC1 1539396967 VSZNAMVYPOMEGU-UHFFFAOYSA-N 400.508 1.907 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CC(F)(F)CO2)CC1 1539459499 HSZJQSMAHPNSCW-QGZVFWFLSA-N 419.480 1.319 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2Cc2ccn(C)n2)CC1 1539484523 SCNKSNUKHJBTQM-UHFFFAOYSA-N 418.505 1.012 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCOC 1539668686 CEUHQEWNURYXGY-MAUKXSAKSA-N 400.545 1.370 30 10 HDEE C=C(C)Cn1c(N2CCN(c3ncc(F)cn3)CC2)nnc1[C@]1(OCC)CCOC1 1539723395 PQQZMEGZPUZFLR-FQEVSTJZSA-N 417.489 1.762 30 10 HDEE C=CCCCn1c(CC2CC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1540012956 ZWNBAGXHUCNDNJ-GOSISDBHSA-N 423.583 1.828 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@H](C#N)c1ccccc1Br 1540038529 KZMJCUJUQQFIKS-CQSZACIVSA-N 423.311 1.939 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3cc(C#N)ccn3)CC2)cc1 1540661411 YDCCSKLGIDHJSW-VOTSOKGWSA-N 405.458 1.483 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CCOC(C)C)CC1 1540867624 BOBKJTKSYPYPGY-UHFFFAOYSA-N 413.526 1.189 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccoc1C 1540877570 ZFGHIVKISNIJNK-WMZOPIPTSA-N 403.483 1.842 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1540916359 AMYPORWQPXGSLE-CABCVRRESA-N 406.512 1.971 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](COC)C1 1547311753 HHPHBDGLMOFPGC-YJBOKZPZSA-N 412.494 1.535 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@]2(O)CCSC2)CCO1 1555994748 YWUBNIPRWJSMTF-YJYMSZOUSA-N 421.473 1.744 30 10 HDEE C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1556216792 FRZBTUPHQGNSDP-BLLLJJGKSA-N 402.838 1.853 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1 1556504136 LYFMTEHOXILGLG-DLBZAZTESA-N 404.308 1.446 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CC1 1556532234 OUPJRWJTLSYMBJ-UHFFFAOYSA-N 418.494 1.274 30 10 HDEE CC1(C)CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C[C@H](CO)O1 1557096566 DDRCZBOCMIDFAI-MRXNPFEDSA-N 413.434 1.984 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N=c2cc[nH]cc2)cc1)C(=O)OC 1557937295 DVUDMUYWDZLEJP-KRWDZBQOSA-N 403.460 1.542 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OC 1558381404 IUYJCNXDVIEEAW-KRWDZBQOSA-N 415.446 1.509 30 10 HDEE CS(=O)(=O)CC1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1565166884 AWWTWFRKSBJOKN-UHFFFAOYSA-N 404.536 1.993 30 10 HDEE C=CCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OCC 1569186403 BCBPMAKPCHOACE-NJAFHUGGSA-N 406.454 1.344 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCS(=O)(=O)C[C@H]1C1CC1 1585567616 GIFNDOQFSYYBLJ-HOTGVXAUSA-N 413.540 1.999 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)[C@H]4CCCC[C@H]4C3=O)c2C#N)C1 1586958208 IIFPVPWQMVWCPK-OKILXGFUSA-N 414.487 1.638 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cc(C)no1)[C@@H]1CCS(=O)(=O)C1 1588059009 HHLPOKDQKLDRKE-OAHLLOKOSA-N 405.524 1.838 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(n1)CCCC2 1588140203 USZWQLLHZXSZIW-GOSISDBHSA-N 423.542 1.575 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1588266786 VRGOZBBOTITYPW-MRXNPFEDSA-N 419.551 1.908 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCOc2ccc(OC)cc2)CC1 1588800710 NGYCRNFBCNLVOY-UHFFFAOYSA-N 421.505 1.521 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCC(OC)CC2)CC1 1588806286 LYBIQVYJQSZKSM-ABHNRTSZSA-N 400.527 1.190 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1593624882 CKSIEMYYUBLKCP-PKOBYXMFSA-N 423.521 1.154 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(C)COCCO2)C1 1595745641 UQYXMXCEBNGYNF-RXVVDRJESA-N 416.526 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1595761318 ZSDHMLDVXMRIFH-LJQANCHMSA-N 422.555 1.488 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)COC(=O)N2 1595896249 WYGGRXIXMUBZGR-UHFFFAOYSA-N 420.539 1.399 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCN1CCOC[C@@H]1C 1602821542 CFKOJWWWYLRGNL-SFHVURJKSA-N 424.553 1.715 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H](C)CC#N 1610269626 DEIXCJNTQQMVCK-HNNXBMFYSA-N 415.523 1.883 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC(=O)NCc1ccco1 1612597204 SLTGOHBXSXCDHC-UHFFFAOYSA-N 423.452 1.833 30 10 HDEE CCCCN(C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1614492646 XWUWVKFFMQHCTN-UHHPSXQGSA-N 402.499 1.935 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1614864688 HDGGUMSZTTUVQW-MSOLQXFVSA-N 415.542 1.394 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1618208889 IPAVFEVKIMVBTB-UHFFFAOYSA-N 405.457 1.541 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)C[C@@H](C)O1 1619737862 VIMOXWANJKZRRJ-ATZDWAIDSA-N 413.478 1.472 30 10 HDEE COC(=O)c1coc(CNS(=O)(=O)c2cc(Br)ccc2C#N)n1 1622308180 BJLMYUPAWMISLO-UHFFFAOYSA-N 400.210 1.574 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)CC1 1622868361 RAAZNSKZMDGFLP-UHFFFAOYSA-N 421.523 1.207 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ncccc2C#N)CC1 1623668877 DIEBBVRHROKLJU-UHFFFAOYSA-N 403.439 1.011 30 10 HDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N[C@@H]2CCN(O)C2=O)c1O 1624906707 QXTATIXFEXOOSK-MRXNPFEDSA-N 409.398 1.217 30 10 HDEE CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCN(S(C)(=O)=O)C1 1628302715 ZAGAOEYBXJBGMP-MRXNPFEDSA-N 413.540 1.129 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)[C@H]1c1cnn(C)c1 1629606411 FMVRQICAICLWHF-BRWVUGGUSA-N 420.391 1.097 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2COc3cc(OC)ccc3C2)s1 1632289870 CTCLNEMTDBNZKQ-CQSZACIVSA-N 422.528 1.883 30 10 HDEE C#CC[C@]1(C(=O)NC2CCN([C@@H]3CCOC3=O)CC2)CCCN1C(=O)OC(C)(C)C 1632439797 ZXZRSGZHKZAORI-VGOFRKELSA-N 419.522 1.676 30 10 HDEE O=C(CCCNC(=O)OCc1ccccc1)NCCN/C(O)=C1\N=CC=CC1=O 1632874839 KBKNDXSSSXOPNW-VHEBQXMUSA-N 400.435 1.336 30 10 HDEE C#CC[C@H](COC)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1634579962 LKWOFXLAZGTODN-CYBMUJFWSA-N 403.298 1.272 30 10 HDEE CN1C[C@]23CCCC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C3 1639139415 RXOYRBOXSXXVNV-BGYRXZFFSA-N 402.520 1.171 30 10 HDEE NC(=O)CC[C@@H](NC(=O)CCCc1ccccc1)C(=O)NCC#C[C@@H]1CCCCO1 1640380083 ALVAOUTZEYOIAT-VQTJNVASSA-N 413.518 1.448 30 10 HDEE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1640447010 LJSQMEVXFCFATH-UVQUFPMPSA-N 423.473 1.976 30 10 HDEE Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)cc1S(=O)(=O)NCC#N 1645682467 BDORJMLHGDXJRQ-UHFFFAOYSA-N 422.507 1.584 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](OC)c2cccc(OC)c2)c1 1646328371 XNBFYJGAEIJGSF-IBGZPJMESA-N 402.472 1.724 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@](O)(C(=O)OC)C2)cc1OC 1650951387 BQNTZGDHIDLQAR-HXUWFJFHSA-N 408.451 1.361 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(O)Cc3ccc(F)cc3)CC2)cc1 1651237848 CKEQCZAZRYPOLY-UHFFFAOYSA-N 421.494 1.858 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@](C)(CO)Oc4ccccc43)CC2)o1 1654438853 XJFIYCDYDRCFGJ-OAQYLSRUSA-N 411.462 1.153 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)cc1OC 1660606839 APHIKKSSNNIBCG-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 1663283725 KFCUHPMXIDDAEW-CQSZACIVSA-N 414.471 1.906 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2ccc(C#N)cc2Cl)[C@H](O)C1 1665645151 AWVHJRBNLYGYGA-UONOGXRCSA-N 415.899 1.860 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)cc1 1666665136 CICIDUMHDZUPGN-UHFFFAOYSA-N 404.513 1.753 30 10 HDEE CNC(=O)c1cc(O[C@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)ccn1 1670266774 BOQCKPOFXNTYNB-HNNXBMFYSA-N 418.450 1.684 30 10 HDEE C=CCc1cc(CNC(=O)Nc2ccc(=O)n(CC(N)=O)c2)cc(OC)c1OC 1672904949 FGIKTYPFMXNNIA-UHFFFAOYSA-N 400.435 1.401 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(C(=O)NCc2nc(C#N)cs2)CC1 1676393243 RNFHMPFHQHQWLD-UHFFFAOYSA-N 414.491 1.489 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCO1 1683704261 WUEAAHLUPYFLIX-IBGZPJMESA-N 400.479 1.496 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)CC1 1684200964 OJHGOHASZCKECH-UHFFFAOYSA-N 407.496 1.223 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1Cc3ccc(C#N)cc3C1)CCS2(=O)=O 1684588932 GSSFPGPTKWXKSK-GNZRSQJKSA-N 417.487 1.482 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1689861690 ZGVMXHIYMPOIEV-KRWDZBQOSA-N 406.490 1.598 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1690003728 VXDIYILVZLLHJW-HTAPYJJXSA-N 413.522 1.306 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1([S@@](C)=O)CC1 1690005033 PELBGJOZAAMOCG-GDLZYMKVSA-N 412.515 1.946 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)N(C)C)c1 1690012326 ZKYQVZVUPHMBPJ-UHFFFAOYSA-N 415.501 1.696 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1CC[S@@](=O)C(C)(C)C 1690105054 QXFUVZCCGJEGHV-MUUNZHRXSA-N 403.552 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCC(=O)Nc2ccccc2)CC1 1690148802 VNHKMNBBGBHXGW-UHFFFAOYSA-N 408.506 1.835 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N(C)C1CC1 1690190097 LCIONFUHKMGOOS-QMTMVMCOSA-N 408.572 1.363 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN(CC(=O)NC2CCC(C)CC2)CC1 1690639560 ZWIZDUJSGQGRPK-UHFFFAOYSA-N 424.553 1.738 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1690648063 CJBGPLOPUZDLDE-CQSZACIVSA-N 401.471 1.671 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H]3[C@@H](C2)C3(C)C)nnc1[C@@]1(OC(C)C)CCOC1 1690677219 RIBVOGFXPYOEBO-VWKPWSFCSA-N 403.527 1.713 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](C2CCOCC2)C1 1690723837 BXMLEOWLZMWITF-QZTJIDSGSA-N 424.567 1.636 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1691477436 QWNVTURIHVYYDA-INIZCTEOSA-N 423.521 1.646 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1ccnn1 1691870917 LSGHEKBJAAKDNP-UHFFFAOYSA-N 406.498 1.677 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1694722923 IQOODIQBHNNFRC-QFIPXVFZSA-N 407.522 1.907 30 10 HDEE C#CCN(C)c1nnc(-c2cc3ccccc3o2)n1CCN1CCN(C(C)=O)CC1 1705544991 LGHRZHHCBZQHQN-UHFFFAOYSA-N 406.490 1.925 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NCCC 1705550374 XFLHOJYISGOZKY-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@@H]1C 1705584932 DMFFGUASKIWPDG-JPYJTQIMSA-N 403.486 1.894 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccnc(OC(F)F)c1 1705626949 OPIFBWAGFDLMAZ-UHFFFAOYSA-N 415.404 1.866 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)c(O)c2)CC1 1705763437 VNTATJQUSNZOJL-AWEZNQCLSA-N 421.523 1.807 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccsc3)n2CCCNS(C)(=O)=O)C1 1706934114 SCBMKOBTYDEXTD-SFHVURJKSA-N 422.580 2.000 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCSCC(F)(F)F)CCO1 1712883512 QWMQFJCENQLKLJ-LBPRGKRZSA-N 418.445 1.538 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1722296145 NYOKPBPPWKUUHQ-JKSUJKDBSA-N 421.567 1.477 30 10 HDEE C#CCCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OCC)CCOC1 1722322523 KWMURZMDSSCNMV-NRFANRHFSA-N 417.510 1.813 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)NCCC 1722349828 CSGXWRHIYNHOPN-UHFFFAOYSA-N 417.539 1.224 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCOC2)n1CCCNS(=O)(=O)CC 1722473873 IJBUTAPISWWEGV-QFBILLFUSA-N 409.556 1.494 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC(=O)N(C)C)C1 1722710781 OJGVVSRVSFGDSG-JXFKEZNVSA-N 407.515 1.190 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722741855 YRSYQFAPJJSPEJ-MRXNPFEDSA-N 407.565 1.806 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1729698116 BVFBPNNTECYZEE-NRFANRHFSA-N 409.494 1.257 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1740532526 HLINLPOKLGLMCA-HUUCEWRRSA-N 417.535 1.467 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](F)COC 1740630830 MHOQUUFJMQTPLB-MRXNPFEDSA-N 404.467 1.406 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CCS(C)(=O)=O 1740643415 IPWLVCHBDCVFEZ-UHFFFAOYSA-N 400.504 1.537 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@H]1C 1740664269 KKGTXGCAHJKEIG-MGPUTAFESA-N 418.519 1.348 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740959990 ILTCGQJEKXYQEI-LJQANCHMSA-N 409.556 1.184 30 10 HDEE CCN1C[C@H](C)N(c2nnc(-c3ccc(C#N)cc3)n2Cc2nnn(C)n2)C[C@H]1C 1746372776 DNHDWHGKXQLJHD-CABCVRRESA-N 406.498 1.307 30 10 HDEE CN(Cc1ncc(Cl)n1C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C#N)o1 1747797356 MAYPEGWXKNNCCH-ZDUSSCGKSA-N 414.857 1.765 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)OC)C[C@H]1O 1748333267 POKCRKLYZDHNLE-IAGOWNOFSA-N 413.478 1.602 30 10 HDEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1748761761 AUUMLESWGNCYDJ-JQVVWYNYSA-N 417.554 1.501 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOCCCO 1748802334 DABOZDHNASDIMZ-IYBDPMFKSA-N 407.515 1.517 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1748816929 BAYJVERBCCKJCJ-ZWKOTPCHSA-N 424.567 1.614 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)c1c(C)noc1C 1748906726 XUWAZCQRYTWNIJ-JSGCOSHPSA-N 408.528 1.756 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCC(=O)N[C@H](C)CC)CC1 1748992875 JCVBUKMVBVXMGD-GOSISDBHSA-N 409.538 1.324 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCCO[C@H]2CCOC2)CC1 1749004410 IJVNQDPGQQTRPE-MJGOQNOKSA-N 417.554 1.953 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC(O)(CC)CC)CC1 1749011067 ZTQJVLGOQOZJAO-KRWDZBQOSA-N 403.527 1.299 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)C 1749114354 APBLMHJWBNGIRJ-WMZOPIPTSA-N 418.542 1.456 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC1CCCC1 1749269382 RJGILUPTHUCUAF-AWEZNQCLSA-N 419.935 1.674 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCn2cncn2)C1 1749696021 NODDZPMETDXUAX-KRWDZBQOSA-N 410.438 1.926 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1749730942 WOORPBQVXPUXKB-GDBMZVCRSA-N 418.523 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](N3CCCC3=O)C2)nnc1C(C)(C)C 1749739678 JIWICMWOEXFXMJ-INIZCTEOSA-N 423.583 1.768 30 10 HDEE C#CCCCCC(=O)N1CC(OC2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1757673695 JAYKHBMWUIWKMW-JRHPMUGDSA-N 400.519 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1csc([C@H](C)OC)n1 1760117729 SRFKFFHIXVRLTP-MELADBBJSA-N 423.564 1.850 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1=CCCCC1 1760175526 LMAUAMPWNBMZER-QGZVFWFLSA-N 407.540 1.571 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)CCCC)[C@@H]1CCS(=O)(=O)C1 1760186122 AOGAGMWKQDONCP-GOSISDBHSA-N 407.584 1.904 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760186362 BXJDKSLSRSMUJK-SJLPKXTDSA-N 418.494 1.596 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCc1nccs1)[C@H]1CCS(=O)(=O)C1 1760189221 SRAQMZNASQXJRL-HNNXBMFYSA-N 405.549 1.872 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccc(OC)cc2)n1C[C@@H]1COCCO1 1760221941 QCCGRPRYXYEIQM-OAQYLSRUSA-N 408.502 1.950 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@](C)(O)c2ccccc2)CC1 1760257670 DMSLSPHXMOEENV-QFIPXVFZSA-N 405.506 1.342 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1760344934 UGSARDIIXILTLN-OAHLLOKOSA-N 405.528 1.419 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1760431080 DHPHIMROENINCZ-MRXNPFEDSA-N 400.527 1.975 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1760438767 NFRBCQBHMANZBK-QZTJIDSGSA-N 413.526 1.914 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C(C)C)CC1 1760445210 CVLHHYFAYRBTBO-UHFFFAOYSA-N 420.558 1.704 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1760449768 UNPYNXBZMUJKGQ-UHFFFAOYSA-N 416.526 1.019 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC(CCCN2CCOCC2)CC1 1760521142 KZEAPBASQWZSPJ-UHFFFAOYSA-N 416.570 1.787 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)CC#N)CC1 1760623344 UGURWOVYQHQCFK-WMZOPIPTSA-N 403.531 1.075 30 10 HDEE CC(C)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCO1 1760967966 OTSDTSUUDXLSGN-RHSMWYFYSA-N 419.507 1.554 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1763755273 KMCOWXXDEDSMMK-KSFYIVLOSA-N 422.537 1.863 30 10 HDEE CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)o1 1765614055 GUGRAPMVIIYZGL-GXTWGEPZSA-N 423.543 1.781 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1768018819 RITZPPAISHLJPO-INIZCTEOSA-N 404.478 1.968 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCCSC)CCO1 1769242934 RAMIYCNQNMRZFL-QGZVFWFLSA-N 414.535 1.911 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1769736439 WGDMDCVWSAGWME-SJORKVTESA-N 413.434 1.879 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1771243570 ZGFUTSPVVYSZHP-WMLDXEAASA-N 405.455 1.367 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@H]2CCCO2)c1 1771530519 MSPHACCPSJHBNI-RBUKOAKNSA-N 424.505 1.714 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)ON3C(=O)c4ccccc4C3=O)cc2)[nH]1 1772791206 PCJLGCORFMXABD-UHFFFAOYSA-N 421.365 1.249 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCN(c2ccc(C#N)cc2)CC1 1849842709 UTSAQQGAIHXPHS-OAHLLOKOSA-N 416.478 1.713 30 10 HDEE C[C@H](NS(=O)(=O)c1c(F)cccc1F)C(=O)NCC#CCN1CCCCCC1 1850013222 RHVDEKIFBZLLDP-HNNXBMFYSA-N 413.490 1.627 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852683251 FRAKMTOOCDHZFT-QGZVFWFLSA-N 415.494 1.628 30 10 HDEE Cc1nc2ccccn2c1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)CC1=O 1853935049 FNCGOOJIHBAWAF-UHFFFAOYSA-N 401.426 1.682 30 10 HDEE CC(C)CC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)CC1=O 1854321840 RVRZVDZZNFJNSE-QGZVFWFLSA-N 418.519 1.038 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCCc4nc(C)c(C)c(C)c43)C2=O)CC1=O 1854819539 UMNRPLUFRSRWFY-MJGOQNOKSA-N 410.518 1.921 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccncc3Br)C(=O)C2)C1 1855073417 ZVLLAJFKPGFBOJ-CYBMUJFWSA-N 406.284 1.116 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C2)CC1 1856149481 KIKZCWXDHXYHFZ-RTBURBONSA-N 412.490 1.864 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CCCC[C@H](N(C)CCC#N)C3=O)CC2=O)cc1 1856451656 LIBTZMJBGFHMTM-LPHOPBHVSA-N 412.490 1.801 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)c4cncnc4)C3=O)CC2)c1 1857010707 VHPYJMPBHUPPAY-GOSISDBHSA-N 406.446 1.275 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3conc3C3CC3)C2=O)CC1 1857070193 JJZYDIDLQMEFRL-QGZVFWFLSA-N 406.446 1.382 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)Cc3ccccc3F)C2=O)CC1 1857073191 NNIHWSDVOAKBGV-LJQANCHMSA-N 407.449 1.585 30 10 HDEE Cc1nn(C)cc1C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CC1=O 1857249774 XPUUEDMDZKPTLU-INIZCTEOSA-N 406.490 1.864 30 10 HDEE Cc1cnc(C(=O)N2C[C@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)cn1 1857250217 HWZUBZITIXKFQW-INIZCTEOSA-N 404.474 1.920 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)Cc2ccc(F)cc2F)C1)[C@@H]1CCN(C)C1=O 1857263027 BQKPVVVQLDOSRB-RDTXWAMCSA-N 405.445 1.601 30 10 HDEE Cn1nccc1CCN1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1857503895 PKAXGQYVSNPWJC-SFHVURJKSA-N 406.490 1.630 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)NCCN2CCOCC2)n2ccccc12 1858243020 MBRDFJRFAIJDNC-UHFFFAOYSA-N 418.457 1.520 30 10 HDEE COc1ccc([C@@H]2C(C(=O)c3cccc(N)c3)=C(O)C(=O)N2CCNC(C)=O)cc1 1862558285 VQZPSECHUPDBRF-LJQANCHMSA-N 409.442 1.992 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NCCCO)=C(N)Oc2c1c(C)nn2CC 1864319153 OBUSJQRKDMIBLX-SFHVURJKSA-N 412.490 1.969 30 10 HDEE Cc1cc(Br)c2[nH]cc(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)c(=O)c2c1 1866454233 ZMMLFLPQIMHKQO-UHFFFAOYSA-N 411.219 1.934 30 10 HDEE C#CCOc1cn(CCCCCO)c(CNc2ccc(S(N)(=O)=O)cc2)cc1=O 1871005850 BVSWJBCZBAARSL-UHFFFAOYSA-N 419.503 1.282 30 10 HDEE CSc1ncccc1C(=O)N1CCC(OCC#CCN2CCN(C)CC2)CC1 1889238552 GEUPJTAZZWDOBN-UHFFFAOYSA-N 402.564 1.676 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(C(F)(F)F)nc3)CC2)CC1 1889238852 SHIZOSHHNLOROH-UHFFFAOYSA-N 424.467 1.972 30 10 HDEE CN([C@@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1cncc(C#N)c1 1963329849 LKNKHYFJRZIVEJ-QGZVFWFLSA-N 400.460 1.985 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)COC1 2010405216 GOMLMZFVDXUUMO-UHFFFAOYSA-N 420.275 1.008 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1 2118169509 XOGXDWGQKXQMQN-GOSISDBHSA-N 415.471 1.874 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(N)cc(F)c2F)[C@@H](C#N)C1 2162919924 FYQNWINIEIUALA-NSHDSACASA-N 402.423 1.681 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782043 LZDQKUYFXTTYFV-CABCVRRESA-N 401.529 1.920 30 10 HDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 2201804081 AJVNRXAOMRIHLH-CYBMUJFWSA-N 405.347 1.157 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCO)c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2243326453 AUVFXGSUNFIYSZ-UHFFFAOYSA-N 407.320 1.704 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCCCOCc2ccccc2)n1 2243381941 OCARMTPNPLWSLX-UHFFFAOYSA-N 400.288 1.451 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2243390612 YBQCEWINHYRKOK-OLZOCXBDSA-N 404.276 1.171 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CC[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267355602 ZYPNPCGSJTYJRZ-DEOSSOPVSA-N 407.388 1.355 30 10 HDEE CSC[C@](C)(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267712552 FZHQUGFFNRVKMH-OAHLLOKOSA-N 407.388 1.440 30 10 HDEE CC(C)(C)OC(=O)N[C@](C)(CO)CNS(=O)(=O)c1cc(Cl)ccc1C#N 2270681653 ZPKHJFCHEPXLHR-INIZCTEOSA-N 403.888 1.766 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCN(C)[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282302115 ULHBGVMTWBPUAF-OLZOCXBDSA-N 400.375 1.727 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1OC 2282331383 MRXADWQDFKCKHF-BETUJISGSA-N 403.331 1.082 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CC(F)(F)CN3)c2)OC1(C)C 2282343051 BQRDZDALRYLMGG-NSHDSACASA-N 408.301 1.323 30 10 HDEE C[C@H]1C[C@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282345896 RWGRESJFQLVVQA-STQMWFEESA-N 400.375 1.808 30 10 HDEE CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282416761 AILRGWIDMNAMJL-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE C[C@@H]1[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282496463 BDBSCVFHWSWPMT-TZMCWYRMSA-N 400.375 1.559 30 10 HDEE CN(C[C@H]1CCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504484 PKAXMAXBWATFRW-GFCCVEGCSA-N 402.347 1.240 30 10 HDEE CC(C)(CN)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282511879 PLTWSHOAKWQMEZ-UHFFFAOYSA-N 402.753 1.902 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@]34CNC[C@H]3C4)cc2Cl)OC1(C)C 2282824562 CDARBMWLDUTJFD-QLJPJBMISA-N 418.777 1.589 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@@H]1N(C)C 2282826334 QGGQNNCQTAYKTP-STQMWFEESA-N 400.375 1.727 30 10 HDEE CC1(C)[C@@H](N)C[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282847752 DJWUVTXUNGEWFI-YPMHNXCESA-N 400.375 1.699 30 10 HDEE C=C(CS(=O)(=O)N1C[C@@H]2[C@H](CCCS2(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282874163 WKXGVZKBWURGMS-ZIAGYGMSSA-N 405.347 1.013 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1[C@@H](C)C[C@@H]1C(=O)O 2284399673 NCBPSRTYQUZGFO-GXSJLCMTSA-N 401.315 1.592 30 10 HDEE C[C@H](F)[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284400817 YPJZJTOSHRMCEE-ONGXEEELSA-N 407.294 1.278 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@@H]2C(=O)O)OC1(C)C 2284400875 CKHSJRCDTGGZDI-NWDGAFQWSA-N 401.315 1.330 30 10 HDEE C/C=C/C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284417816 QABPHGPAPVVAKC-SYTKJHMZSA-N 401.315 1.745 30 10 HDEE COC[C@@]1(C)C[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284698471 XKEKYZGHUDETKX-YVEFUNNKSA-N 401.359 1.998 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2290008853 CTUKZLQJNFWSMM-UHFFFAOYSA-N 404.319 1.383 30 10 HDEE C=CCN1C(=O)C(=Cc2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 2297464075 GEUQCOIHFQBKFH-UHFFFAOYSA-N 416.528 1.789 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cc([N+](=O)[O-])cc(OC)c2O)c1 2323374570 JYZLJWJTBRKNRW-UHFFFAOYSA-N 411.392 1.639 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(C)(NC(=O)OC(C)(C)C)C1 2365208193 CCGIGXBGFQBETH-FTXHTYHOSA-N 402.557 1.599 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN(C)CCNC(=O)OC(C)(C)C 2365211131 KRVXWNYUTNZHDR-INIZCTEOSA-N 403.589 1.638 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1C 2365211314 NIPNLUGSVNPMHQ-KHYOSLBOSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367811681 KUOFDMIQCJYTCQ-KRXQYRFLSA-N 400.541 1.339 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)C[C@H](C)NC(=O)OC(C)(C)C 2367816975 QPNNJUJDLPZJLE-XHSDSOJGSA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCCN(C(=O)OC(C)(C)C)C1 2367823967 SBAZQPPSPDGHSO-BEFAXECRSA-N 400.541 1.307 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3CCC(C(=O)N(CC#N)CC#N)CC3)CC2=O)cc1 8246734 WTXZPIMHMDUBLO-SFHVURJKSA-N 407.474 1.462 30 10 HDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3nnc[nH]3)[nH]2)cc1OC 21078798 QGQROSQEYZWPCK-ZVBGSRNCSA-N 417.455 1.507 30 10 HDEE CCCCNC(=O)CN1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 27222630 DPQHAIGJNLVNHF-OAHLLOKOSA-N 417.579 1.969 30 10 HDEE C=CCN1C(=O)CSc2cnn(CC(=O)Nc3ccc4c(c3)OCO4)c(=O)c21 65132972 IXQORKLUKGUTAX-UHFFFAOYSA-N 400.416 1.235 30 10 HDEE C=CCOc1ccc(NCC(=O)N2CCNC(=O)[C@@H]2CC(=O)OCCCC)cc1 66227219 IWDBPJDHWMGXIT-SFHVURJKSA-N 403.479 1.724 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(N)=O 254893689 CBAQMMQWUVHUHF-UHFFFAOYSA-N 422.419 1.088 30 10 HDEE C=CCN(CC=C)[C@@H](CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(C)C 444105306 KUSYVEJSDNPJCL-SFHVURJKSA-N 412.577 1.993 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc(OCCO)c1 446716594 KETQETBGQBBQQE-CQSZACIVSA-N 403.460 1.543 30 10 HDEE C=C(C)Cn1c(CCOc2ccccc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 460384436 CHXYWDMCWXEESU-SFHVURJKSA-N 419.551 1.994 30 10 HDEE Cn1cc(NC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)c(=O)n(C)c1=O 464057088 MQKGHUJQMUHSGN-UHFFFAOYSA-N 415.881 1.854 30 10 HDEE C=CCCCCNC(=O)N1CCN([C@@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 474086208 BHAUHTQIAVKJLA-GOSISDBHSA-N 402.543 1.907 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCC2)CCN1S(=O)(=O)CC1(C#N)CCC1 474596188 RFWHOJZMJLDHNL-HNNXBMFYSA-N 414.553 1.040 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1 479902340 OFLZVVJHAYGWJG-QGZVFWFLSA-N 404.536 1.439 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)(C)C)C1 508798992 ZEEIZYRCODGIOL-LSDHHAIUSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C(N)=O)c2ccc(Br)cc2F)CC1 532894396 XBLGXTUIRNDGQD-INIZCTEOSA-N 413.291 1.034 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)C(C)C)n(Cc3ccon3)c2=O)c1 537395118 RURDYBQGEJDPPC-UHFFFAOYSA-N 424.482 1.386 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCn3c(=O)nc(O)c4ccccc43)CC2)n1 546197358 KALMTTCOEFUZKR-UHFFFAOYSA-N 404.430 1.108 30 10 HDEE COc1nnc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)s1 582348195 RRQWEQAXWUVVPZ-UHFFFAOYSA-N 401.408 2.020 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CCS(=O)(=O)c1ccc(C#N)cn1)C2=O 584134316 GNXQPUOSONAIRK-BFUOFWGJSA-N 404.492 1.864 30 10 HDEE Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)cn1 610187733 CTCGWEQZMWQDGQ-MRXNPFEDSA-N 416.507 1.011 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCN(c3ncccc3C#N)CC2)c1 619104377 WBVGUIYWIITZML-UHFFFAOYSA-N 409.446 1.049 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(N4CCC4=O)cc3)CC2)nc1 619644917 OYWZSADRJSDGNY-UHFFFAOYSA-N 418.457 1.414 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 670233747 GBGUGAJGWNHJGB-SFHVURJKSA-N 411.506 1.966 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN(Cc3n[nH]c(C)n3)CC2)c(OC)c1 678888282 FMXHEUGPNVFCQH-GOSISDBHSA-N 401.511 1.408 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 729332393 WHKKJTQMZXTMNC-QGZVFWFLSA-N 424.544 1.124 30 10 HDEE C#CCN(CC(=O)Nc1sc(C)c(C)c1C(=O)OCC)[C@H]1CCS(=O)(=O)C1 731213686 NXXLGIRPTKPRNX-AWEZNQCLSA-N 412.533 1.602 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 731213744 QIFARWIRTWFGRN-QZTJIDSGSA-N 418.515 1.244 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 733202629 ULUHWNCPXSRGES-QGZVFWFLSA-N 402.520 1.718 30 10 HDEE C=C(Cl)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 735969745 OPKFXZMUGDBYFW-CQSZACIVSA-N 412.947 1.655 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)[C@H](C)Oc1ccccc1C#N 744691712 OUYNZWXRESDLRD-LBPRGKRZSA-N 400.391 1.418 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC#Cc1ccccc1Cl 747089068 CFZGEBQJBCIUQK-ZDUSSCGKSA-N 420.874 1.701 30 10 HDEE C#CCN(CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 749283928 JRUJGHRWGYXGGM-ICSRJNTNSA-N 403.548 1.014 30 10 HDEE C#CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC[C@@H](O)C(=O)O 757385871 QWKJUMWNAJWSAK-WOJBJXKFSA-N 422.437 1.479 30 10 HDEE Cc1cccc2c(=O)n(CC(=O)NS(=O)(=O)CC3(C#N)CCCCC3)cnc12 760405105 KGBYPTGQGIAEGO-UHFFFAOYSA-N 402.476 1.625 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCn2nnc3ccccc3c2=O)CCCCC1 760409870 WUIKNEOJQIBFHC-UHFFFAOYSA-N 403.464 1.102 30 10 HDEE C[C@H](OC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(=O)N(C)CCC#N 768052624 ZPKWJUNJEZJKGP-QMMMGPOBSA-N 412.315 1.749 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)cc2)CC1 768752029 BTJHEUPQRUNHLD-HKUYNNGSSA-N 416.909 1.783 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(C4=NS(=O)(=O)c5ccccc54)CC3)n2c1 768803737 JJEWFNKOKDQNJC-UHFFFAOYSA-N 406.471 1.473 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCS(=O)(=O)C1 779374753 DXIUNITUVAFISF-HIFRSBDPSA-N 413.902 1.890 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cnn3ccccc23)c1=O 781653169 HADOLAKGLAGGRW-UHFFFAOYSA-N 422.510 1.466 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NS(=O)(=O)c1cnn(CC2CC2)c1 781728394 HMMGPTWQKSVINL-UHFFFAOYSA-N 418.475 1.837 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@@H]3CSCN3C(=O)c3ccccc3)nc12 782545090 GXNSSEHVUJKVLA-HNNXBMFYSA-N 409.427 1.565 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc2c(cc1Br)NC(=O)CO2 783618219 NWKIKNMPOAVMMV-UHFFFAOYSA-N 403.254 1.111 30 10 HDEE CN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(O[C@H](C)C(=O)OC)cc1 789984026 MRAKDMWWWHQKFV-GFCCVEGCSA-N 400.464 1.698 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C[C@@H]1CCCCO1 790360447 IORVGFMEQWJQJF-IBGZPJMESA-N 417.494 1.691 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2cccnc2-n2ccnc2C)cc1C#N 793805806 AFSPYYWBKCSZAA-UHFFFAOYSA-N 404.430 1.389 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1C[C@H]1CCCO1 794580154 UXAWLFNLCQNIGC-MRXNPFEDSA-N 413.543 1.936 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796421004 TZYBEWSHVYGLGU-ALKREAHSSA-N 417.510 1.660 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)NS(=O)(=O)CC2(C#N)CCC2)[C@@H]1c1cncn1C 796848399 DIAJAFRWPKMAMN-RHSMWYFYSA-N 421.523 1.250 30 10 HDEE Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C#N 799548052 DWIBJYXPBOMVEU-KBPBESRZSA-N 415.471 1.937 30 10 HDEE C#CCN(C(=O)NCc1ccncc1OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 807434639 VUPDNQMQMRXPJS-IBGZPJMESA-N 413.499 1.993 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CC(=O)NC(C)C 809897149 XNBRIZOWVTUQLO-OAHLLOKOSA-N 422.530 1.733 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C(=O)OCC)cc1)c1ccc(F)cc1 812749171 GEOAVYBCVVFNKI-SFHVURJKSA-N 418.446 1.771 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c(C)cc1F 813691528 FUWGTJWYIODRDS-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1-c1ccccc1C 838648557 KTPCQQCBNKJMAU-UHFFFAOYSA-N 421.526 1.360 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@H]1CCS(=O)(=O)C1 914678760 OJXSRIWMMUUSSA-QRTARXTBSA-N 408.476 1.197 30 10 HDEE CC(C)(C)n1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)cn1 917800038 VIBJZMKXMFWOOW-UHFFFAOYSA-N 400.467 1.749 30 10 HDEE Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@]3(C#N)CCCOC3)cc2)n1 1129416876 SMUMSXMWCZTXSC-GOSISDBHSA-N 401.448 1.845 30 10 HDEE COc1ccc([C@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)cc1 1131950520 PASBXADATYBVKD-QGZVFWFLSA-N 415.471 1.334 30 10 HDEE CN1CCC(N2CC[C@H](N(C)C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)CC1 1136737980 WSHHHHDFWNXUPX-INIZCTEOSA-N 422.526 1.363 30 10 HDEE N#Cc1cn(CC(=O)NCC2(c3ccc(Br)s3)CCC2)c(=O)nc1O 1140445201 BOVVOEDLDUWIHV-UHFFFAOYSA-N 423.292 1.883 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1140500398 ODHVALNKJQIRMJ-OAHLLOKOSA-N 401.529 1.081 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1)C(=O)OC 1141995713 XHJVVFDKXWGLEA-KRWDZBQOSA-N 404.419 1.921 30 10 HDEE CC(=O)OC[C@H](CO)NC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1154151178 BIKZIGFQGWFIPN-FUHWJXTLSA-N 417.462 1.433 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)C2 1158224326 PFJFIJKCDRBZIJ-PBHICJAKSA-N 411.405 1.898 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 1158229638 DLNIMEGVBRNUCQ-CRAIPNDOSA-N 404.492 1.535 30 10 HDEE N#Cc1cn(CCNC(=O)c2cnnn2-c2cccc(Cl)c2Cl)c(=O)nc1O 1167527136 KNAGZJHCADTMTK-UHFFFAOYSA-N 420.216 1.138 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(S(=O)(=O)CC3(CC#N)CC3)CC2)c1 1208297484 CMUANPZLHNQRLA-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3C#N)CC2)cc1 1215564683 CWTKXAYXXDHLEQ-UHFFFAOYSA-N 417.466 1.960 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)N[C@H]1CCc2cc(C#N)ccc21 1227840747 DCKXXDYFGLGWRO-IBGZPJMESA-N 414.487 1.913 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2cccc(S(=O)(=O)NCCOC)c2)CC1 1228443168 PUKVPAAMJGRDOI-UHFFFAOYSA-N 411.524 1.224 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CCNS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1259113810 JOBGYGMZISWZER-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCCS(=O)(=O)C1 1286376769 NQTVNZCRXTXAIZ-YJBOKZPZSA-N 416.503 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)cc1F 1286469364 SXZNNIZJAKHACE-UHFFFAOYSA-N 415.469 1.683 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1286479884 PIABMBCONGFIIF-GOSISDBHSA-N 414.554 1.186 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCCCO2)n1CC1(O)CCS(=O)(=O)CC1 1286580540 ZYYQKJIVHQMXPV-MRXNPFEDSA-N 412.556 1.862 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccc(OC)n2)CC1 1286607587 SFBHMSSAUUQNKU-UHFFFAOYSA-N 424.509 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](OC)C1 1286815701 ZUYQOSKFIJQTAD-INIZCTEOSA-N 421.479 1.679 30 10 HDEE Cn1cc(C(=O)Nc2cccc(CC#N)n2)c(CN2C(=O)c3ccccc3C2=O)n1 1288256280 WLMIYSKIYAJVJN-UHFFFAOYSA-N 400.398 1.930 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1OCCC1(C)C 1288814211 CAVBMPBEDSVXBD-CABCVRRESA-N 424.571 1.833 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1288976854 GBPDDQSGSPYQCT-XLIONFOSSA-N 418.567 1.572 30 10 HDEE N#C[C@@]12CN(C(=O)c3nccnc3Sc3ccccc3)C[C@H]1CS(=O)(=O)C2 1289203792 GZMJQEWRVQDIMN-UGSOOPFHSA-N 400.485 1.638 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3Cc3ccc([C@H](C)O)cc3)CC2)c1C#N 1290576744 HLHAIBZKECIGPY-INIZCTEOSA-N 420.521 1.928 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N[C@H](C)CC)CC1 1290673770 JSROQGAXXJGKIQ-IAGOWNOFSA-N 408.543 1.352 30 10 HDEE C[C@H]1N(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCOC1(C)C 1291319898 IIRBCDFSSUGTTF-IWHJNQCMSA-N 414.510 1.761 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(C)CN(C)C1=O 1291525091 ZYLGOHIXQODBOL-YEJXKQKISA-N 409.494 1.805 30 10 HDEE CC[C@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](F)(C#N)C1 1291827367 ADBXQVAPVKKWDO-MZRZTIOWSA-N 422.505 1.749 30 10 HDEE C#CCCN1CCN(C(=O)[C@]2(C)C[C@H](OC)CN2C(=O)OCc2ccccc2)CC1 1292438110 ZLIDFXJQAPMACC-REWPJTCUSA-N 413.518 1.970 30 10 HDEE CCc1nnc(N2CC[C@H]([C@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292950193 OHTHFKQIROPLTA-PSEQUABUSA-N 400.483 1.230 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@H]1CCCc2c1cnn2CCO 1295983667 XCTNUJRHSGFABF-HOTGVXAUSA-N 405.499 1.956 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(F)n3)CC2)cc1 1298254918 FBPBVHBBGRBPDB-UHFFFAOYSA-N 404.467 1.647 30 10 HDEE CN(Cc1ccccc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCCN(O)C1=O 1298541913 OFRLECSJYLUCFD-SJORKVTESA-N 420.510 1.508 30 10 HDEE C[C@@H]1CCCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1C(=O)OC(C)(C)C 1299687722 DAYBXXXLWQFWLM-DYVFJYSZSA-N 421.519 1.694 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCCC1=O 1300330444 YZQMAEXOILTPLW-LNLFQRSKSA-N 403.527 1.863 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1300459965 LYXAKXPIAOHAOH-UHFFFAOYSA-N 419.533 1.753 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1300485038 TWAJZZZUGFZCKU-PDOICOKGSA-N 408.568 1.969 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1CN1CC[C@H](O)C1 1300553251 AHNOPANPFLLVTI-FCHUYYIVSA-N 419.529 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(Cl)nc2)n1CCNS(=O)(=O)CC 1300569485 MSYHUZMKJCVXCA-UHFFFAOYSA-N 420.926 1.396 30 10 HDEE C=CCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301473662 HAWVOFLOWRTDLY-HXUWFJFHSA-N 401.515 1.565 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(C3CCOCC3)n[nH]2)ccc1F 1302222667 DLIVTIUOBXUBSG-UHFFFAOYSA-N 423.470 1.232 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC(=O)NCCc1ccccc1 1303633336 FLITUURHBACYCO-MRXNPFEDSA-N 406.494 1.776 30 10 HDEE C#CCN(C(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)C1CCN(C)CC1 1303996841 PESYOGHRDZLAIC-UHFFFAOYSA-N 409.433 1.582 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCN2CCOC[C@@H]2C)cs1 1304665597 FMFPBYHZBUNRPI-IFXJQAMLSA-N 419.530 1.797 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC(=O)N(C)C[C@H]3C)n2Cc2ccc(C#N)o2)n1 1304750437 PWKJQXGKDBTIMM-OAHLLOKOSA-N 408.466 1.320 30 10 HDEE COC(=O)c1ccc(N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)c(C#N)n1 1307228380 FXLIFWUYBHJCTR-UKRRQHHQSA-N 403.382 1.686 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)Cc2ncsc2Br)c1 1309081602 OHVNRTVMQPFMHP-UHFFFAOYSA-N 414.306 1.945 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H](O)Cc2ccccc2F)C1 1312468964 JECZPCVRHAENMW-YQQAZPJKSA-N 406.458 1.787 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)nc1 1316099794 DHNLMSDCTTTYKZ-UHFFFAOYSA-N 409.498 1.554 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 1348456073 LEXYSQDPEPJBFC-OCCSQVGLSA-N 408.505 1.115 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)[C@H]2CCO[C@H]2C(=C)C)CC1 1358763904 OFVYIGLDNWRRMM-TXVWBRJLSA-N 400.519 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)COC 1358885322 HUPLPUUMJRLGCP-HUUCEWRRSA-N 404.540 1.979 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1358944201 KKXYKEGDFFNITB-JOCHJYFZSA-N 413.522 1.879 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc(OC)c(F)c1 1358968615 SNIBNAREJJGNJN-UHFFFAOYSA-N 409.465 1.977 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1359122095 XRUJHIMXKIMZDR-CVEARBPZSA-N 413.544 1.050 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCN2CCCO)C1 1359321102 ABQSWWADCVUAJE-CEXWTWQISA-N 405.543 1.410 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1359342434 XRCAJRBQMOTRNL-HZPDHXFCSA-N 409.556 1.779 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCN(C)C(=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1360347506 IXWKZHHREBPTNN-FQEVSTJZSA-N 414.466 1.110 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1360475478 AZRLGICSFGQYBH-WBVHZDCISA-N 424.509 1.247 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)CCC(=O)N(C)[C@@H](C)C#N)CC2)c1 1436530164 FVFLCYIUWYPRER-KRWDZBQOSA-N 420.535 1.287 30 10 HDEE C[C@H]1Cc2cc(C(=O)Nc3ncc4c(c3C#N)COCC4)ccc2N1S(C)(=O)=O 1436893410 BGOPCNCLZFAPSN-LBPRGKRZSA-N 412.471 1.989 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1B1OC(C)(C)C(C)(C)O1 1449357341 KZJJUUZNPHIRSV-GOSISDBHSA-N 402.344 1.871 30 10 HDEE C=CCC[C@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1449420945 DPMKPVVJRQLKDK-KDOFPFPSSA-N 424.295 1.659 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)CC[C@H]1C(=O)OC 1453545076 SRXKKQJVYYQMSP-ILXRZTDVSA-N 410.467 1.246 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(OCC)ccc3ccccc23)CC1 1455115024 KHUAQQAGLWGYIA-UHFFFAOYSA-N 401.488 1.464 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@H]2C2(O)CC2)CC1 1460211465 NRTWWVSHGIDORC-UXHICEINSA-N 400.498 1.914 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)CCS2(=O)=O 1463274122 XGYZGGLYCQDIOK-NGEICVOHSA-N 419.503 1.253 30 10 HDEE C[C@@H]1c2nncn2CCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1466884274 PVRHWVMPOWGRBH-MGVZARIASA-N 400.483 1.968 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccccc2OC)ccc1O 1468558783 XHYYXCIXCXOXPO-CYBMUJFWSA-N 404.444 1.316 30 10 HDEE CC1CC(C#N)(C(=O)N2CCN(C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1 1470268090 VZHXUQODCMQARE-UHFFFAOYSA-N 419.526 1.743 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(C(=O)N3CCC(C(N)=O)CC3)CC1)C2 1471145616 VBNABVMLLSMNPL-HXUWFJFHSA-N 423.517 1.171 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnc(-c4ccc(F)c(F)c4)s3)C2)c(=O)nc1O 1472370629 IGYARMQTEHMLKO-UHFFFAOYSA-N 415.381 1.919 30 10 HDEE Cn1ncc(Br)c1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618900 NQUMCPOYVCUCOL-UHFFFAOYSA-N 407.224 1.700 30 10 HDEE N#Cc1cc2cccnc2nc1N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1472764122 XMZASTJTLTXZBV-UHFFFAOYSA-N 414.413 1.457 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OC)cc2C(F)(F)F)CC1 1476673949 RZZSZYRHVGIIIH-UHFFFAOYSA-N 420.413 1.331 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1478897033 URVXUDFYKKNWII-KGLIPLIRSA-N 400.298 1.457 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCN(c3ccc(Cl)cc3F)C2)c(=O)nc1O 1479085298 GEWGXGSWRJURSE-CYBMUJFWSA-N 420.832 1.191 30 10 HDEE CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2ccc(C#N)cc2Cl)CC1 1503253284 GXYCIILZPOCIAV-UHFFFAOYSA-N 422.942 1.873 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCCS(C)(=O)=O 1507536130 ATNBSWNDJYOHEI-RHSMWYFYSA-N 404.492 1.683 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(C)(C)C(=O)NCC 1507611461 NUPMONZNSDRSNA-UHFFFAOYSA-N 424.553 1.684 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(=O)NCC1CC1)[C@@H]1CCS(=O)(=O)C1 1507632026 IDJFSZPKKGDIQF-QGZVFWFLSA-N 419.551 1.089 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(OC)cc1F)[C@H]1CCS(=O)(=O)C1 1507634871 QKYDGRYFHMXQGI-HNNXBMFYSA-N 406.483 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507653520 RAZRWSDLYPAWKC-ZDUSSCGKSA-N 417.395 1.354 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1[C@@H]1C[C@H]1CCC 1507653887 SHGVZELRLPCOGJ-BRWVUGGUSA-N 405.524 1.045 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CCN2CCCCC2)CC1 1507719314 NAAYBKYNEUHGEW-LJQANCHMSA-N 404.559 1.243 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1507756396 NHUSEEPXTYEOHR-HXUWFJFHSA-N 412.519 1.661 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)CCNS(C)(=O)=O 1507791653 PCLURPXWECSPHH-LLVKDONJSA-N 408.322 1.024 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)CC1 1507889502 WNVMVLUXZQFMDE-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N(C)CC(=O)NC(C)(C)C 1508095126 LQBLNGWSCKTLKR-UHFFFAOYSA-N 412.538 1.716 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3cnn(C)c3)C(=O)C2)n1Cc1ccc(C#N)o1 1509215914 ZTDXKHVGMTVIGQ-UHFFFAOYSA-N 408.466 1.576 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 1515585445 XEXDDTGOEGWIFQ-HXUWFJFHSA-N 400.523 1.803 30 10 HDEE CN(CCC(F)F)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1517257596 DBIACBZXWLOCOA-DOXHGZAWSA-N 424.452 1.790 30 10 HDEE CS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc3c(c2)CCC(=O)N3CCCC#N)C1 1523257777 OCIFCDRKKOKDSO-INIZCTEOSA-N 418.519 1.880 30 10 HDEE C#CCCCCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1525792715 IVTFKJDCTKIQIB-UHFFFAOYSA-N 406.504 1.874 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1 1526235726 MQBIWQXJWFAHBU-KURKYZTESA-N 402.491 1.945 30 10 HDEE C#CC[C@]1(C(=O)N2CCC[C@]2(COC)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1532350480 ARHXLLPIIBRIHP-RTWAWAEBSA-N 408.495 1.960 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 1536640988 AQRLZFGXSFGNHZ-IBPCWRJOSA-N 402.388 1.763 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)COc1ccc(C#N)c(Br)c1)S(C)(=O)=O 1537944181 IFJGQESKCAKUEZ-MNOVXSKESA-N 403.298 1.980 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CC2(O)CC(OCC)C2)c1 1539043846 VHOZJFCYKZPTHS-UHFFFAOYSA-N 411.506 1.827 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1539097969 HPMUPAOKLNGUHX-HNNXBMFYSA-N 416.544 1.458 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1cc(C)cc(C)c1 1539148363 JXWZLVHHIZYMPM-MRXNPFEDSA-N 405.524 1.654 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1539432888 RSMOBOLFDYNTJC-SFHVURJKSA-N 414.478 1.326 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1539513357 NAVHTOFYMHEFOL-UHFFFAOYSA-N 415.567 1.740 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539532975 IFUGSDNDPXXECP-HPFXQQBRSA-N 419.551 1.083 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCn2nc(C)nc2C1 1540019184 DASAPRXLWPTHBH-UHFFFAOYSA-N 423.481 1.438 30 10 HDEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)C(=O)c1cccc(C#CCO)c1 1540244948 NKTPTRJXONKQGK-MRXNPFEDSA-N 405.454 1.866 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2nnc3n2CCCCC3)s1 1540600006 WIFQVNOJPXEYCI-UHFFFAOYSA-N 423.564 1.432 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1540872540 RZJIIIUJMXJGIK-OAQYLSRUSA-N 412.469 1.169 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCN(CC)C(=O)OC(C)(C)C)c1cc[nH]n1 1542808293 RUMHHNJLWIQFED-UHFFFAOYSA-N 411.459 1.067 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC 1546579144 GGHJVLFAEQJLLL-GOSISDBHSA-N 417.473 1.983 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@H](C)C2)CCOC1 1547917563 APCHKUMCQHDXHI-AXVVYFOYSA-N 405.499 1.474 30 10 HDEE COc1ccc(OCCCn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1554982045 JARSYXXVVORJLY-LPHOPBHVSA-N 413.478 1.988 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1C[C@H]1[C@@H]1CCCO1 1557271972 VSROXMISNSSGKY-ZACQAIPSSA-N 405.520 1.969 30 10 HDEE C#C[C@@H](NC(=O)c1ccc2c(=O)n(CCCOC)c(S)nc2c1)C1CCOCC1 1557580845 XFOBTRSYGSNRON-QGZVFWFLSA-N 415.515 1.880 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1558006786 GYFQBTUJRXEYCR-ZWKOTPCHSA-N 419.526 1.833 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCc1ccccc1CS(=O)(=O)N1CCC(C)CC1 1564372100 NECLDCHJVWACRF-HXUWFJFHSA-N 421.563 1.822 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1C[C@H]1c1ccc(OCC)cc1)c1cc[nH]n1 1568229308 WLASKCKCOAZSJE-DOTOQJQBSA-N 400.435 1.765 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)cc1-n1cnnn1 1570834233 XZQJHFYWOOMREO-SFHVURJKSA-N 403.446 1.893 30 10 HDEE N#Cc1ccc(C2(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)CCC2)cc1 1584880062 MZHPJHUFFMOOAH-UHFFFAOYSA-N 415.471 1.981 30 10 HDEE N#Cc1cn(CCC(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c(=O)nc1O 1587558396 DDZWAONPXZUINN-OAHLLOKOSA-N 421.457 1.354 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1587798925 WGRZGRRQVAHYMK-NRFANRHFSA-N 400.527 1.229 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1587856808 RYUNALOFWHNAGZ-RTBURBONSA-N 414.554 1.328 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1588054100 KRIVOESAEWFMSJ-HOTGVXAUSA-N 408.524 1.061 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2coc(-c3ccccc3Cl)n2)CC1 1588199445 PAFRGBXNMVWFTF-UHFFFAOYSA-N 408.867 1.220 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1588280863 SRIQAUDGLUOPCO-QGZVFWFLSA-N 417.535 1.837 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCN1CCOC[C@@H]1C 1588292948 HTOZCERJEHEWOD-KRWDZBQOSA-N 411.506 1.897 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1593878222 FPACOURJRWUJGY-AWEZNQCLSA-N 417.963 1.785 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1594615940 MHFCLUSENIEPCV-HUUCEWRRSA-N 410.544 1.104 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2CCOC[C@H]2C1 1594825355 YCVREZNKZWYNIF-GOSISDBHSA-N 418.567 1.747 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cc(C)on1 1595219878 ZFZAQSWUYHDZHC-MRXNPFEDSA-N 422.511 1.134 30 10 HDEE COc1ncc(NC(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)cc1C#N 1595367563 RIVRGVFDKOEZLQ-IBGZPJMESA-N 406.414 1.876 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1595545004 PJWDWHAZVOCCBT-INIZCTEOSA-N 416.526 1.066 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@@]1(OCC)CCOC1 1595595448 VJFIQQUBBUZQFZ-JOCHJYFZSA-N 424.505 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC(C)(C)[C@@H]1C 1595788618 DTQCYNAXRVCCRR-AWEZNQCLSA-N 408.528 1.283 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)s1 1597232935 VAEDNWCDIVASPG-CQSZACIVSA-N 414.549 1.757 30 10 HDEE Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)[C@H](C)NC(=O)Cn1cnnn1 1611358052 TXNKOJKZZYFJAU-HNNXBMFYSA-N 419.445 1.576 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)OC(C)(C)C)cn1 1618400045 IMUKLMKVEOTHBJ-OAHLLOKOSA-N 416.486 1.322 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CC[C@@H]1C 1619515171 DICARAAHEDLUSR-MAUKXSAKSA-N 407.482 1.755 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(CC(=O)N1CCN([C@H](C#N)c3cccs3)CC1)CC2 1620561993 RAOFDYKZWZBZDW-BLIXFSHQSA-N 416.547 1.875 30 10 HDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC[S@](=O)C1 1625221156 QKHYPFWWPUAMND-MCFWBGNESA-N 410.337 1.984 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)ccc1OC 1628662414 LDCANUJEKUNIDQ-INIZCTEOSA-N 403.460 1.281 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1628681056 SXSDEQSPYWJPAO-YJBOKZPZSA-N 401.381 1.601 30 10 HDEE C[C@H](C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1628895393 VCBAWVJQMBVDDN-LMCOJAPRSA-N 408.502 1.959 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cc(Br)cc(N)c3N)CC2)nc1 1630896019 OJTKTYLJJGGWJN-UHFFFAOYSA-N 401.268 1.843 30 10 HDEE CC[C@H](CO)N1CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1632104248 NWZOZQOIZRNHER-GOSISDBHSA-N 402.344 1.823 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CC[C@@H](NC(=O)NC3CC3)C2)CC1 1632403225 SGGAGYAIDMGHKX-QGZVFWFLSA-N 404.511 1.699 30 10 HDEE Cc1ccc(C(=O)Nc2cccc(-c3cn(C)nn3)c2)cc1S(=O)(=O)NCC#N 1633423181 PAZAYBBLHHWTND-UHFFFAOYSA-N 410.459 1.845 30 10 HDEE COCCNc1nc(CC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cs1 1634588339 JJMSSNAUGSWVKD-KRWDZBQOSA-N 413.503 1.533 30 10 HDEE COC(=O)Cc1ccccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1636374713 AXNHZJRZMZXBBY-UHFFFAOYSA-N 404.419 1.768 30 10 HDEE C#CCN(CC(=O)N1CCc2c(cccc2S(N)(=O)=O)C1)C(=O)OC(C)(C)C 1636417702 FOXAAKVJQFDYFI-UHFFFAOYSA-N 407.492 1.089 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1 1638656746 URWIJRSUDLONDM-KRWDZBQOSA-N 403.479 1.477 30 10 HDEE N#Cc1cc(NC(=O)COc2ccc(S(N)(=O)=O)cc2)ccc1Br 1639394009 ASFWVJCUQPHUQY-UHFFFAOYSA-N 410.249 1.986 30 10 HDEE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1640179056 MOQNLGJXCBHREJ-XHDPSFHLSA-N 400.403 1.486 30 10 HDEE CCN1CCC[C@H]1CN1C[C@@H](C(=O)N2CCC(c3ccc(C#N)cn3)CC2)CC1=O 1640995896 VJOPNCBYAYKSEW-PMACEKPBSA-N 409.534 1.992 30 10 HDEE COCCN(CCOC)C1CN(c2c(C#N)cnc3c(OC)cc(OC)cc23)C1 1642884882 PIZKRWRKPFEVGY-UHFFFAOYSA-N 400.479 1.907 30 10 HDEE CC(C)(C)OC(=O)N1CCC(n2cc(C(=O)N3CCN(CCC#N)CC3)nn2)CC1 1642915681 HOAFCEBFVHJRBI-UHFFFAOYSA-N 417.514 1.522 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCCC#C[Si](C)(C)C)C1 1645187466 MNHRJRJYEJBSPS-OAHLLOKOSA-N 416.616 1.798 30 10 HDEE C#CCO[C@H](C)C(=O)N(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1645523568 ZEAPNASFRUAXLQ-IAGOWNOFSA-N 409.527 1.731 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](CO)c1ccc(F)cc1F 1646257274 DYESYMPYVADBDC-APPDUMDISA-N 409.414 1.353 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1ccc(F)cc1F 1646257279 DYESYMPYVADBDC-DIFFPNOSSA-N 409.414 1.353 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H](CSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OC 1652012554 BNIWVFWQOXCVTG-XUWVNRHRSA-N 410.536 1.907 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1671150087 ACMUGGBQABCZGQ-ZDUSSCGKSA-N 417.325 1.964 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NC[C@]3(C(=O)OC)C[C@@H]3S(C)(=O)=O)cc21 1674685277 RGDWFDJVURLOJP-MAUKXSAKSA-N 406.464 1.320 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 1676367366 HIBRNEPZKKNRQA-HUUCEWRRSA-N 411.499 1.607 30 10 HDEE C#C[C@H](NC(=O)NCc1ccc(CS(=O)(=O)CC(=O)OC)cc1)C1CCOCC1 1678887562 OQTIWOFCBOXBKU-SFHVURJKSA-N 422.503 1.002 30 10 HDEE N#Cc1c(CCCNC(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)nn(-c2ccccc2)c1N 1683434602 PXXUPDHBCUUNSG-MRXNPFEDSA-N 423.477 1.541 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)NCC2(CS(C)(=O)=O)CCC2)C1 1686055186 GZIANVJHMILNSK-KGLIPLIRSA-N 414.528 1.260 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@](C)(O)CC)c1 1689870282 JBVFVHCXJFGXLK-HTAPYJJXSA-N 424.505 1.446 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1689996968 SIOPZFOITKMSFW-BRWVUGGUSA-N 410.540 1.256 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCNC(=O)C1CCC1 1690015833 YTGDJGRGXNXJAP-UHFFFAOYSA-N 422.489 1.385 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCOC1 1690039821 UEKKUNLKSSKDJW-QHCPKHFHSA-N 424.501 1.967 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC1CC2(CCOCC2)C1 1690105941 FOKNRRUEVQYUPI-UHFFFAOYSA-N 415.538 1.693 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]1c1cnn(C)c1 1690153986 GINYREZRLQFYFP-QGZVFWFLSA-N 413.551 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CCCC2)CC1 1690154065 IZIONFGRJGNVQH-QGZVFWFLSA-N 401.511 1.401 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1690167697 NPNZISJRZOFKAA-NRFANRHFSA-N 414.579 1.951 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690180709 JVXSJYSUILAVER-JKSUJKDBSA-N 416.551 1.014 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1690308209 FUYXPKDAEXICNZ-UHFFFAOYSA-N 415.542 1.572 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1690643593 JINVJACCGABFBY-CYBMUJFWSA-N 421.483 1.312 30 10 HDEE C=CCn1c(N2CCC[C@H](C(=O)NCC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1690653551 WRTQYSDBHGCMHY-UWJYYQICSA-N 403.527 1.859 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(CC)[C@@H]2CCS(=O)(=O)C2)nnc1C(C)(C)C 1690731691 PTHCEWGRJGANIY-CQSZACIVSA-N 418.585 1.190 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@](C)=O)CC2)CCOC1 1690995104 CVAZUXOAVBUOGQ-AMRNQMKZSA-N 409.556 1.826 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1692557939 CXYPASHYYMHAFQ-QGZVFWFLSA-N 407.478 1.152 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(O)CCOC2)CCOC1 1692584184 UPDUNKMSYKQTDW-NHCUHLMSSA-N 419.526 1.600 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCOC2)CCOC1 1692633445 LRMAHDHUXRTMPO-SFTDATJTSA-N 419.526 1.600 30 10 HDEE CN(C)S(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@](C)(C#N)C1 1696634144 XLXKMIWANYRLRE-CRAIPNDOSA-N 410.544 1.194 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC(=O)NCc2ccco2)cc1 1698488101 JWOQBSNUYLZCGR-UHFFFAOYSA-N 424.486 1.295 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cn(C)c3ccccc23)n1CC(=O)N1CCOCC1 1705489212 LMFRFMWKQPNAPX-INIZCTEOSA-N 406.490 1.754 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(C)n(C)c1=O 1705490254 GDNULXOYZUEEHE-CYBMUJFWSA-N 408.462 1.519 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(C(N)=O)CCOCC1 1705498342 UNFDHPGHDUZDKW-INIZCTEOSA-N 421.505 1.257 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC(=O)NCc1ccco1 1705547566 IOOOPNPWNODFNE-UHFFFAOYSA-N 409.446 1.941 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1705552097 IFSVZKZTNVKGBY-HNNXBMFYSA-N 404.515 1.550 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1([S@@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705568992 BROZNMVZAOVONO-CHAGWJKLSA-N 424.592 1.159 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(-n2cncn2)c1 1705834301 ICQGXAOYLXAKAL-AWEZNQCLSA-N 416.511 1.140 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC(=O)N(C)C)C1 1705914995 RFXHEBWCQYUEGQ-OAHLLOKOSA-N 413.482 1.185 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cnc(C)s1 1705932406 SUEXQBQALDVJGP-UHFFFAOYSA-N 419.536 1.737 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705943490 CCDZNCAQXPRGLQ-LSDHHAIUSA-N 422.555 1.863 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2CC(=O)NCC(F)(F)F)n1 1707822533 FFBYNIFYVTZOOR-UHFFFAOYSA-N 424.431 1.558 30 10 HDEE CNC(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)c1 1711332139 BAWRVBURVIFTLJ-QZTJIDSGSA-N 410.478 1.656 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC2CCOCC2)cc1 1712879948 RSIIIXWVLOQMNZ-UHFFFAOYSA-N 410.478 1.339 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(OC)c1 1722300453 ZHHLJUMCQFRSCM-MRXNPFEDSA-N 424.505 1.297 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC(=O)NCc2ccco2)c1 1722305461 QNBZQOHGJJLGEC-UHFFFAOYSA-N 406.446 1.552 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1cnn(C)c1C)[C@H]1CCS(=O)(=O)C1 1722367801 OJONMXZERIKJFU-KRWDZBQOSA-N 418.567 1.584 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1722377302 WAQAAIMFNZMMLQ-UHFFFAOYSA-N 407.474 1.309 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)CC1 1722581727 LCHUPHZOWPMVTL-WBVHZDCISA-N 423.583 1.887 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCNC2=O)CC1 1722591582 PHGCUCHQWXSEQE-INIZCTEOSA-N 415.542 1.826 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(c2ncccn2)CC1 1722696696 CQPXDZQMLYLDKN-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE CC(=O)Nc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)cn1 1722807488 GABLGERYRZBFQP-IBGZPJMESA-N 409.429 1.522 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C 1726666722 PFHSZMNQJQRXNO-CZUORRHYSA-N 416.432 1.908 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1728193740 ONLSRLWRJUQAHO-KRWDZBQOSA-N 412.494 1.870 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)CN(C3CC3)C2=O)CCOC1 1728753965 FMJCPGPBSKLAOY-GQWLDOHISA-N 416.526 1.679 30 10 HDEE CCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1729108832 IERSAGODHHNUKD-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE CN(Cc1ccon1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1729447957 FBROLLGZMAWVTE-FBMGVBCBSA-N 408.422 1.424 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1740547694 ACMSABJRWXUHMK-YOEHRIQHSA-N 416.503 1.826 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2cc(C)nn2C)CC1 1740693592 DNERLQCENBGITH-UHFFFAOYSA-N 405.506 1.799 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1740799507 NQXURLRQXSDUNV-HNNXBMFYSA-N 416.530 1.700 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1740839489 KEGBGFBJGOOQMZ-MXLIYFDZSA-N 412.494 1.711 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC2(CC1)COC(=O)N2 1740955146 NODWWEHWCQXQER-UHFFFAOYSA-N 421.461 1.198 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(S(=O)(=O)NC)c1 1743781796 FAALZAZUTFNNJZ-HOCLYGCPSA-N 418.523 1.477 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NC)c1 1748666765 HRPYUXFDLPTQRH-CQSZACIVSA-N 420.473 1.872 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](CC(C)C)N(C)C 1748779324 GHFCKDVETJYEBY-IBGZPJMESA-N 407.526 1.967 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1748811135 CEABSDFHNGLKQV-OXQOHEQNSA-N 417.535 1.479 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCCN1CCOCC1 1748859051 BJGBJUQLOQHBJR-UHFFFAOYSA-N 407.518 1.961 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1F 1748905842 JWPPMPOLXDXFDG-CYBMUJFWSA-N 409.487 1.544 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnnn2C)CC1 1748977367 HGMCEQUGENRFHY-INIZCTEOSA-N 424.484 1.489 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048683 UKYPUOJIHLLVAW-OXQOHEQNSA-N 421.567 1.387 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCN2CCN(C)C(C)(C)C2)CC1 1749309220 GLUDPVLDXVXHAG-UHFFFAOYSA-N 415.586 1.583 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC 1749671134 YXVRSICDHTVFTE-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749741184 SCGVZPKBKDIQSO-QGZVFWFLSA-N 415.567 1.610 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1ccc(N2CCOCC2)nc1 1760207947 CUTHBRWHZTYDNT-LJQANCHMSA-N 406.490 1.482 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1760273306 OHVWFIVGDPUQGV-UZLBHIALSA-N 419.551 1.265 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1760285792 RASZIDMYPZDFJW-MRXNPFEDSA-N 410.503 1.407 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1760286421 KXHSGDFABPCYAW-SFHVURJKSA-N 418.567 1.900 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1760306111 BXEUGGAFXJEPIG-RDBSUJKOSA-N 410.316 1.938 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](NC(C)=O)C1 1760335526 NTSKLMBOYZSQEV-LNLFQRSKSA-N 411.510 1.821 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccco2)CC1 1760402740 SWPHOXGGJTVDIN-QGZVFWFLSA-N 421.523 1.655 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC2(CCCC2)C1 1760526069 COGANDZRMMUSIP-UHFFFAOYSA-N 413.526 1.591 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCO[C@@H](C)C1 1760527626 CXEQSNWQMMYBSX-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1764568243 AXIMXGGQHBOELK-MSOLQXFVSA-N 421.505 1.590 30 10 HDEE CCOCc1nnc(N(C)OC2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1767784323 BFUQROSDPBJVCU-ZCXUNETKSA-N 404.471 1.651 30 10 HDEE COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1769210881 IHKDTPCJWGXKFI-HUUCEWRRSA-N 412.494 1.990 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1770159654 LRGGNUBLLUSDFN-MOPGFXCFSA-N 424.505 1.727 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CC3)n2CCCn2cc(Br)cn2)CCO1 1771536951 FJTBALNRUNLXML-CQSZACIVSA-N 406.288 1.934 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1772564820 XGVRWCSBCIOBGE-MRXNPFEDSA-N 418.519 1.816 30 10 HDEE COc1cccc(-c2cc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)n(C)n2)c1 1848611207 DZLYQUQZASNMIZ-UHFFFAOYSA-N 403.446 1.718 30 10 HDEE C[C@@H]1CC(=NC(=O)CCn2nnc3ccccc3c2=O)NN1c1ccc(Cl)cn1 1851708669 CMXFWBGSUVGYQB-GFCCVEGCSA-N 411.853 1.959 30 10 HDEE C[C@@H]1C[C@@H]1C(=O)Nc1c(C#N)c(Cn2cncn2)nc(=O)n1-c1ccc(Cl)cc1 1851896663 CZGOQPJVJGIPOK-RISCZKNCSA-N 409.837 1.992 30 10 HDEE C[C@@H]1CC(=NC(=O)CCCN2CCS(=O)(=O)CC2)NN1c1ccc(Cl)cn1 1851928854 BEJRLTONCDRRCT-CYBMUJFWSA-N 413.931 1.274 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OCc2cc(=O)n3ccccc3n2)cc1 1852226154 URJHZPQNMRAGEI-NRFANRHFSA-N 420.469 1.863 30 10 HDEE C#CC[C@@H](F)C(=O)OCCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 1852263019 BFTCCNDMJLCQBF-MRXNPFEDSA-N 402.875 1.551 30 10 HDEE C[C@@H]1COCCN1C(=O)[C@@H](Cc1ccc(C#N)cc1)NS(=O)(=O)c1ccccc1 1852539641 DOSYYGDZZIVQTE-OXQOHEQNSA-N 413.499 1.695 30 10 HDEE Cc1nn(C)c(C)c1CCCC(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852681249 PGJZEKVUXSSQHU-UHFFFAOYSA-N 410.522 1.992 30 10 HDEE C=CCn1cccc(C(=O)N2C(=O)CCN2S(=O)(=O)c2ccc(C)cc2)c1=O 1852840681 HOOVMEYHSWBWOC-UHFFFAOYSA-N 401.444 1.321 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCc4ccccc4C3)C(=O)C2)cc1 1854023868 IXDRDJNMIXBFKT-LJQANCHMSA-N 423.494 1.723 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CCc2c(C)noc2C)C1=O 1854059403 JXUKRRVVYNHLBJ-MOPGFXCFSA-N 416.522 1.850 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@@H]1C 1854256398 NNTQVGKZTXWOLF-RDJZCZTQSA-N 423.510 1.614 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854270829 BPZDRRBVWPFWII-GOSISDBHSA-N 405.458 1.860 30 10 HDEE COc1ccc2cc(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)ccc2c1 1854783803 MOJQISKHPIPSKO-CYBMUJFWSA-N 401.444 1.375 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1Cc1nnc2n1CCC2 1855725051 QCUVPRZSSISXMF-ZDUSSCGKSA-N 412.881 1.817 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)c3ccc(F)c(F)c3)C(=O)O2)CC1 1856738424 ISSXMBPNQBJDFP-HNNXBMFYSA-N 413.402 1.491 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H]1CCCCO1 1856900942 VCPWKQCLUDSLNR-KRWDZBQOSA-N 405.476 1.596 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)[C@@H]4CCCCO4)C3=O)CC2)c1 1857020106 FGPFJLLTSNHLBV-OALUTQOASA-N 412.490 1.741 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)Cc2cccnc2Cl)C1)[C@@H]1CCN(C)C1=O 1857050032 CWIZKXPEYLYZJA-NVXWUHKLSA-N 418.925 1.761 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@H](F)CC(F)(F)F)C2=O)C1 1857110942 SVQPQPGIDWAIFJ-DGCLKSJQSA-N 400.332 1.434 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c(C(C)(C)C)noc2C)C1)[C@H]1CCN(C)C1=O 1857282285 VJLAGZQPDDGDTL-HOTGVXAUSA-N 416.522 1.988 30 10 HDEE Cc1ncn(CC(=O)N2C[C@@H](CN3CCC4(CC3)C[C@@H]4C#N)CCC2=O)c(=O)c1C 1857291720 PCMUVTYIWJZNJL-QZTJIDSGSA-N 411.506 1.251 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2ncccn2)CCN1CC(=O)c1ccc(C#N)cc1 1857497098 YDBRPVPIVGMMCK-UHFFFAOYSA-N 407.430 1.059 30 10 HDEE COc1ccc2cc(C#N)c(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)nc2c1 1858204897 ZLHGPLROPPXNQU-AWEZNQCLSA-N 405.501 1.853 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@@H](NS(=O)(=O)c2ccc(F)cc2)C1 1858334836 JVPRRXMLTLGQJN-OAHLLOKOSA-N 409.464 1.439 30 10 HDEE CSc1ccc(Cl)cc1CC(=O)N1CS[C@@H](NCCCNC=O)[C@H]1C=O 1860887067 NAISDAAIBDRECT-RHSMWYFYSA-N 415.968 1.757 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc2nc(Cc3ccccc3)[nH]c2c1 1860967925 LCEUCMCXLWTHAQ-GOSISDBHSA-N 419.485 1.820 30 10 HDEE C=CCn1cc(OCC(=O)NC)c(=O)cc1CNc1ccc(OC)c([N+](=O)[O-])c1 1871016170 TZWYCVDAIGQPOV-UHFFFAOYSA-N 402.407 1.688 30 10 HDEE Cc1ccc(-c2nc(C#N)c(S(=O)(=O)NCCN3C(=O)CSC3=O)o2)cc1 1871285387 BVKYTOOJNNOVHL-UHFFFAOYSA-N 406.445 1.495 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)NC3CCC4(CC3)OCCO4)CC2)CC1=O 1872917667 IHDTZZYMEZNCJS-QGZVFWFLSA-N 419.522 1.061 30 10 HDEE COc1ccc(OC)c(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889433816 KRVRQAKVHILGFM-UHFFFAOYSA-N 415.534 1.576 30 10 HDEE N#Cc1cccc(S(=O)(=O)N2CCC(Cn3nc(-n4cccn4)ccc3=O)CC2)c1 1890075607 NVWROBGCYKIRQZ-UHFFFAOYSA-N 424.486 1.402 30 10 HDEE C=CCN(C(=O)[C@H]1C[C@](O)(c2cn([C@@H]3CCO[C@H](CC(=O)O)C3)nn2)C1)C(C)(C)C 2087912833 PWONHQOCENPBAY-PTDBIEIZSA-N 420.510 1.884 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)N1CC[C@H](C#N)C1)C(F)(F)F 2118171250 VCPXEKXWHXWAEH-MNOVXSKESA-N 400.423 1.369 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2168103444 RPUCICPEEZLGOP-STQMWFEESA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@H](NS(=O)(=O)CC2(C#N)CCCC2)C1 2172890935 CQTPDHQOZKVLBB-HUUCEWRRSA-N 401.529 1.608 30 10 HDEE CN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)C1(C#N)CCCCC1 2181055261 GTAVKUWLGKJAJF-AWEZNQCLSA-N 401.529 1.999 30 10 HDEE CC(C)(C)OC(=O)NCCN(C1CCOCC1)S(=O)(=O)N1CC[C@H](C#N)C1 2186619905 IAGGDAHVDKTPFB-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CN1CCC(C#N)(N(C[C@H](O)CN2C(=O)c3ccccc3C2=O)C2CCCC2)CC1 2195905446 MBNBVEOTRIBGMO-GOSISDBHSA-N 410.518 1.876 30 10 HDEE Cn1nc(Br)c(CNC(=O)C#CC(C)(C)NC(=O)OC(C)(C)C)n1 2214369669 MYEDVKXDRBLIRO-UHFFFAOYSA-N 400.277 1.501 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CC(F)(F)C[C@@H]1CC#N 2233994685 MLUAOCBLZKEJLV-NWDGAFQWSA-N 409.455 1.464 30 10 HDEE C[C@H](CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)CN(C)C(=O)OC(C)(C)C 2247917311 DPANGWFTBYBGLZ-CYBMUJFWSA-N 422.335 1.942 30 10 HDEE CN1C[C@@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)CC1=O 2248434542 ZZMQMUIQIWVPAC-AWEZNQCLSA-N 423.319 1.368 30 10 HDEE CN(C)CCN(CC(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2250007214 WACOKEWVQVBBDF-UHFFFAOYSA-N 423.363 1.926 30 10 HDEE C=C(CS(=O)(=O)N1CCC[C@@H](C2(C)OCCO2)C1)B1OC(C)(C)C(C)(C)O1 2255776748 DJPNKKLEEFOMAN-OAHLLOKOSA-N 401.334 1.979 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N=S2(=O)CCOCC2)OC1(C)C 2267719956 KBKCUGMVGJNAPE-UHFFFAOYSA-N 407.344 1.234 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C2(CC2)C1 2272892256 KRAGRRGVZNSXQO-HZPDHXFCSA-N 421.475 1.464 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCC[C@@H]3CO)s2)OC1(C)C 2282340341 DSEVSXGTMFVIQC-CHWSQXEVSA-N 401.359 1.734 30 10 HDEE COC(=O)[C@@H](C)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341126 NZEPOQBWFJEQKK-NSHDSACASA-N 403.331 1.477 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N1C 2282342471 HWXZRIZCKWKJEP-STQMWFEESA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H](O)C4(CC4)C3)cc2Cl)OC1(C)C 2282415990 OYHWNTXWURQEDK-LLVKDONJSA-N 419.761 1.846 30 10 HDEE CC[C@@H](N)CN(C)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282490912 JIIJUBJUQFSCAW-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1O 2282493676 XPVFEOFEAOWQEA-FZMZJTMJSA-N 401.721 1.641 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCc2cscn2)OC1(C)C 2282501546 YMMPGNMGOUHBEW-UHFFFAOYSA-N 415.371 1.561 30 10 HDEE CCC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282510641 BMNQAMLYIPNCMM-LBPRGKRZSA-N 402.347 1.121 30 10 HDEE CC1(C)OB(c2cnc(C(=O)NCC3CCC4(CC3)OCCO4)nc2)OC1(C)C 2282621819 XHXAVGPSKNNVNG-UHFFFAOYSA-N 403.288 1.439 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@H]4[C@@H]3CN)cc2Cl)OC1(C)C 2282829969 NNJHRJWSAJWPQF-UMNHJUIQSA-N 418.777 1.668 30 10 HDEE COC[C@@H](CCO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282836261 HRLZBXJSTWQXKN-GFCCVEGCSA-N 405.347 1.031 30 10 HDEE CCN(C[C@H]1CCCN1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849190 XQRHAQKIDJLKEL-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CN1CC[C@H](CN(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855102 ZISHSVKTPKVBIF-ZDUSSCGKSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CCO)C(F)(F)F)OC1(C)C 2282866573 LVBICDXQDXSAFQ-NSHDSACASA-N 415.264 1.639 30 10 HDEE CCN(C)CCNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282871907 NLRWIMPVIBFRLE-UHFFFAOYSA-N 402.391 1.894 30 10 HDEE CC1(CS(=O)(=O)Nc2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)n2)COC1 2287115469 ZNGXAXAZVROXTR-UHFFFAOYSA-N 402.709 1.812 30 10 HDEE COC(=O)N[C@@H](C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2290408468 YFGCFTPWPBHNKF-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1ccc(C(=O)O)cc1 2331260664 XSCTTYNIKVXDKF-UHFFFAOYSA-N 405.480 1.666 30 10 HDEE CN(C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)C1CCC2(CC1)OCCO2 2362338580 SKMZCAWPYUGDPI-UHFFFAOYSA-N 405.304 1.477 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@@H](CC)CNC(=O)OC(C)(C)C 2365208872 FAXQWCPRTVEMOU-XHSDSOJGSA-N 404.573 1.703 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OC)C1 2365211802 PCYZURFGTBCTNT-CLCXKQKWSA-N 402.557 1.863 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CN(C(=O)OC(C)(C)C)C(C)(C)CO1 2365213755 WIOGJQAJBXZTKQ-GJZGRUSLSA-N 402.557 1.816 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367787418 LOTUIXMDZDKPCH-ARFHVFGLSA-N 401.525 1.590 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(COC)NC(=O)OC(C)(C)C 2367791185 IQRWEYUFBYWXJG-YJBOKZPZSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(CCN(C)C)C(=O)OC(C)(C)C 2367794501 AACGLRUMXHKQSG-MRXNPFEDSA-N 401.573 1.344 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@](C)(O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367805688 DKTWOHPRZVPWDD-DAYGRLMNSA-N 400.541 1.292 30 10 HDEE COC1(C#C[C@H](O)C2(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C2)CCCCC1 2379867382 USTYJVQYZZILPT-HNNXBMFYSA-N 401.525 1.734 30 10 HDEE C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1 33672620 KPNYBAPDKACETF-UHFFFAOYSA-N 406.445 1.982 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccccc2)n1N)c1ccccc1O 59829707 ACPYSYCDJSODCP-LPYMAVHISA-N 411.491 1.942 30 10 HDEE COc1ccc(/C=N\[C@@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 106920514 HACFRBFDVVSBHH-HYVJAEJCSA-N 413.710 1.766 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@]4(CCO[C@H](C)C4)C3)CC2)o1 430256629 JJJOFXONSJVVPC-XFQAVAEZSA-N 417.510 1.162 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)NC(C)=O)cc1 465188406 UCUNLESXEIHMIN-KXBFYZLASA-N 422.489 1.661 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)C(=O)N3[C@H]4CC[C@H]3CC(O)C4)ccc21 471056265 NNJRRDZUGZHBMO-IRXDYDNUSA-N 410.474 1.722 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cn2)CC1 474321499 AXQZTZVEBGBHTL-UHFFFAOYSA-N 415.416 1.109 30 10 HDEE CN(C)c1nccc(N2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 503122171 YQXKQZFFABQQPZ-HXUWFJFHSA-N 402.499 1.453 30 10 HDEE COc1ccc(CN2CCN([C@@H]3CCCN(c4cc(C)nn4C)C3=O)CC2)cc1C#N 506611409 CVNOLGVRNLMMSE-HXUWFJFHSA-N 422.533 1.922 30 10 HDEE Cn1cc(CN2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(-c2ccncc2)n1 506789102 STVVQPWVRQNNLD-UHFFFAOYSA-N 422.514 1.860 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CC=C)CC1 508915257 WSXMGVBTNWJJJV-UHFFFAOYSA-N 424.505 1.327 30 10 HDEE Cc1nsc(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CC4)CC2)c1C#N 522038545 YRMVDQPMODETDY-UHFFFAOYSA-N 403.533 1.826 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1 533753526 QRZNXEABGIFKEP-GJZGRUSLSA-N 424.486 1.683 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546903967 SOWLLIDIZQWSPJ-INIZCTEOSA-N 401.536 1.940 30 10 HDEE C=C(C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN2CCOC[C@H]2C1 549256982 RUYHKVJOSCZJMT-OAHLLOKOSA-N 407.478 1.691 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cccn3C)n2Cc2ccccc2)CC1 549528670 GUIAALCCHMFQON-UHFFFAOYSA-N 419.533 1.756 30 10 HDEE Cc1nc(SCC(=O)N2CCC(CNS(C)(=O)=O)CC2)c(C#N)c(C)c1C 552878242 NSXDKKRMWLXSDP-UHFFFAOYSA-N 410.565 1.758 30 10 HDEE C=C(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CCC(=O)N(C)C)CC1 567294203 DVJJARXGXMCFQA-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE CN(C)CCNC(=O)C(/C=C1/C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673870 VTWCRVBXRLDMLH-NTRMZYSWSA-N 421.457 1.313 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1cc(O)cc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 619545923 NKUFDVBYYVCOSQ-FQEVSTJZSA-N 416.455 1.876 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 670231999 OVRXSDBMRKVBQH-INIZCTEOSA-N 409.498 1.652 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc(-c3nn[nH]n3)cc2)ccc1F 731880697 QHGHEICARNCZHU-UHFFFAOYSA-N 416.438 1.400 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnc(C)s2)c1=O 748066110 QQBKTAAXUGRYQE-UHFFFAOYSA-N 417.556 1.974 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)c1 750432622 ITAKHKFXZCQNPK-IBGZPJMESA-N 418.515 1.992 30 10 HDEE C[C@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 750434395 USXOTODPBBIANZ-AWEZNQCLSA-N 415.471 1.039 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C 756026890 HHVXSYBWKWNKCH-WBVHZDCISA-N 402.495 1.993 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 761124971 VWGLBLAFMMOUMV-IBGZPJMESA-N 412.534 1.493 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)CC1 768752034 BTJHEUPQRUNHLD-IEBWSBKVSA-N 416.909 1.783 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)c1cn(C(C)(C)C)nc1C)c1cc[nH]n1 772560148 KKLQNJXFTNPXTJ-LBPRGKRZSA-N 404.471 1.831 30 10 HDEE Cc1c(C(=O)O[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)cccc1S(N)(=O)=O 778826688 BLUJNKOCLSKQOK-KRWDZBQOSA-N 413.455 1.867 30 10 HDEE CC1(NC(=O)CCN/C(O)=C2/N=CC=CC2=O)CCN(C(=O)OC(C)(C)C)CC1 779237471 ASZNAAZFPSAPFA-MSUUIHNZSA-N 406.483 1.809 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F)C(C)(C)C 805147430 XOKYEMAVWNCAPV-ZDUSSCGKSA-N 410.464 1.986 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1csnc1-c1ccccc1 820790904 AEIFCFUMMRZVLL-WUKNDPDISA-N 404.473 1.615 30 10 HDEE C[C@H](C(=O)N1CCCC[C@@H]1[C@H]1CCCN(C(=O)C(F)(F)F)C1)n1cnc(C#N)n1 1130750482 QMSJSHQGXPJEPY-HZSPNIEDSA-N 412.416 1.893 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)CC1 1131146221 FJHYTILHJQOUCF-UHFFFAOYSA-N 405.520 1.742 30 10 HDEE COC(=O)C[C@@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 1134343544 IODONOZOOLIPQE-JKSUJKDBSA-N 414.462 1.857 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3nc(C#N)cs3)c2)C[C@@H](C)O1 1134474848 NBEUBFARWPPBFT-CHWSQXEVSA-N 420.516 1.743 30 10 HDEE N#CCn1cc(NC(=O)c2ccc(I)cc2-n2cnnn2)cn1 1136435904 AAMJLRPXJUOHPT-UHFFFAOYSA-N 420.174 1.239 30 10 HDEE Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1C(=O)N1CCCCC1 1139562561 CIRVVZHKHZAAGR-UHFFFAOYSA-N 409.446 1.784 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1142979880 MBMCDZQGMLQSCS-HOTGVXAUSA-N 409.531 1.542 30 10 HDEE CCN1C[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1145023301 OMQJEPHYUSTVTO-ANZKDXPISA-N 404.511 1.758 30 10 HDEE C[C@@H]1OCCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1C(F)(F)F 1148106606 CIGNTJOUNPDOKI-SUNKGSAMSA-N 405.398 1.403 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1CCC2(CCC2)CO1)/N=C1/NS(=O)(=O)c2ccccc21 1155381787 BPSMZEUHNWDGOF-CABCVRRESA-N 405.520 1.969 30 10 HDEE CC[C@@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC(C)(C)C 1156046191 ULVOLZVBKBOCOO-HIFRSBDPSA-N 409.508 1.709 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@]1(CO)CCc2ccccc21 1164472810 QKIHQIGCTXEXHE-VFNWGFHPSA-N 413.499 1.218 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1Br 1191210996 GZVUPGVQIDPIGX-VIFPVBQESA-N 422.684 1.912 30 10 HDEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 1253511342 LFWWLRGDPZSCLI-UHFFFAOYSA-N 420.535 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1264925687 PYIJVLCBPPBXCS-AEFFLSMTSA-N 415.494 1.720 30 10 HDEE COC(=O)[C@@](C)(CCF)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1279258981 XZDQUJUPZVMXNH-IFXJQAMLSA-N 404.398 1.171 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1286274957 PWDSQYVGBHXSRA-ZIAGYGMSSA-N 421.523 1.412 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(C)(=O)=O 1286289263 KWEBRJIOJCMQHA-OAHLLOKOSA-N 412.519 1.891 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1286325136 WCKXQEXZFVWQCL-HOTGVXAUSA-N 400.483 1.058 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCNS(=O)(=O)CC 1286381702 SFLLNUSCYVOZDK-UHFFFAOYSA-N 407.565 1.888 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CC(F)(F)Br 1286396838 IUZNPGADCSCHQA-UHFFFAOYSA-N 423.221 1.986 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1286700161 KLBAXFFPAWMKJF-MRXNPFEDSA-N 421.567 1.738 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1286784795 UERVBSARHUPNGI-GOSISDBHSA-N 421.505 1.658 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N[C@H](c3cccc(C#N)c3)C(F)(F)F)nc2n(C)c1=O 1288172669 DSYLOSTUEFINLQ-CQSZACIVSA-N 417.347 1.537 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1288312485 JLSHNRGHXCLJNQ-LEWJYISDSA-N 418.542 1.927 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)COc2nsnc2N2CCOCC2)cc1 1290546130 UCLQYYHCQNKCGN-UHFFFAOYSA-N 418.479 1.700 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1291323069 FVAKBVBAAVAMQK-WJPUGNRLSA-N 413.478 1.494 30 10 HDEE CC[C@H](C)[C@H](NC(=O)/C=C/C(=O)c1ccc(C)cc1)C(=O)NCCN1CCOCC1 1292872748 WLUIIKGJWDLGIJ-JQTWLFPRSA-N 415.534 1.713 30 10 HDEE Cc1nnc(N2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)c(C(N)=O)c1C 1293109015 KJANVKVCIAOFMT-YVMONPNESA-N 411.437 1.263 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(CCCNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1294667420 ACYMSIKHZGUGPX-XNTOXWQXSA-N 401.551 1.830 30 10 HDEE N#Cc1cn(CCC(=O)N2CCc3c(Br)ccc(F)c3C2)c(=O)nc1O 1296159491 HUGWQIJCMMVDMJ-UHFFFAOYSA-N 421.226 1.697 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOC(F)(F)F)CCOC1 1296663064 HGRRDEWJYJPLEK-CZUORRHYSA-N 419.404 1.585 30 10 HDEE CN(C)C(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1297988314 ABGUXZLDNLYVGV-QGZVFWFLSA-N 413.551 1.585 30 10 HDEE COC1(CCn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)CCC1 1299791131 HRSABAWSRNKLJC-KRWDZBQOSA-N 424.505 2.000 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nnn(C)n1 1300276011 FAOPTHMGUWISRT-JTQLQIEISA-N 404.276 1.076 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300586804 BVFJQYBYUBUKMQ-UHFFFAOYSA-N 411.531 1.584 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)OC 1300664689 TZLSMIIFFJMYBX-UHFFFAOYSA-N 424.505 1.703 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)N(C)CC 1300673343 JBUWOCXBLUBJPH-UHFFFAOYSA-N 409.494 1.081 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCc2nnc(C)s2)CC1 1300697457 CNVMTNSYHWLDPA-MRXNPFEDSA-N 401.540 1.678 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCC[C@@H]2C)CC1 1300708037 MCXKSJJFNTWOJE-IBGZPJMESA-N 410.570 1.379 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1300755630 ZFQGBLGLMZYJFB-AWEZNQCLSA-N 406.537 1.115 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1300800913 CGWVBMSFNWNSCN-HTAPYJJXSA-N 413.570 1.247 30 10 HDEE COC[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1301262238 GEKVTRVECXSCMU-INIZCTEOSA-N 403.508 1.724 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1301451832 CMDBICYHYXPASS-PMACEKPBSA-N 418.586 1.937 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2CCNS(C)(=O)=O)C1 1301556479 JLOFWIMUHXETPW-INIZCTEOSA-N 423.514 1.339 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C(C)C)C1 1301557545 PSGBAWDGPDWRDR-GVDBMIGSSA-N 412.556 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(N)=O)C1 1301578270 VCGTUXCKAUYHAC-CQSZACIVSA-N 421.498 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCCOC2)C1 1301579562 VZNRDTKLKBIPAM-IBGZPJMESA-N 418.523 1.343 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1Cc1cccnc1OC 1301809722 POAMPRYUMZIBOX-KRWDZBQOSA-N 400.483 1.990 30 10 HDEE CC(C)Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1302954273 JYBNPDKNVVIDLD-MOPGFXCFSA-N 402.543 1.849 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC[C@@H]2COCCO2)CCOC1 1303475465 GFRHADLRPOZCJF-SQGPQFPESA-N 407.515 1.863 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOc2ccccc2[C@@H]1CO 1304007692 GCEQDYAVNURISH-KSSFIOAISA-N 415.471 1.180 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1304653038 UUAMAZBRHMNJDE-OCCSQVGLSA-N 408.553 1.807 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](C)O[C@@H](CC(F)(F)F)C3)CC2)o1 1307949758 ZPLAJQZYSXPUMN-JSGCOSHPSA-N 415.416 1.545 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(C)coc1C 1316297883 QSMBGXGJBWLLAJ-BQFCYCMXSA-N 401.467 1.989 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H]2CCS(=O)(=O)C2)CCO1 1316538736 AJZZLWHSSOJTCW-NVXWUHKLSA-N 419.482 1.171 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)c2cccc(C(N)=O)c2)C1=O 1324668166 AZUPXRRQHVTTFL-SFHVURJKSA-N 410.496 1.650 30 10 HDEE COC(=O)[C@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)o1)c1ccc(C#N)cc1 1329334458 ZIJYPVMOWVAOHL-SWLSCSKDSA-N 407.473 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1358871784 KMFFGMIPNBQYMN-UONOGXRCSA-N 419.507 1.166 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1358912076 IQXVJPXNLOKYEL-BRWVUGGUSA-N 410.540 1.224 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1358929789 IDJVWHHXTWTKBR-TVKQPGBESA-N 422.551 1.366 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1358956672 JGQZTPYNGBSXAD-IXDOHACOSA-N 423.583 1.723 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1358960734 KSWMDYULSCQLNZ-OXQOHEQNSA-N 417.535 1.518 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCCCC1=O 1359073545 VEJSBGZTTORYJB-JOCHJYFZSA-N 412.538 1.795 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N(C)CC(=O)N1CCOCC1 1359205852 LZNCPYUPYLWTLN-UHFFFAOYSA-N 404.515 1.052 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(C)=O)c1 1359281340 WIJBYZUOLKDXQZ-SFHVURJKSA-N 412.494 1.875 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1359282240 VKIBKTDWFIGHAN-IRXDYDNUSA-N 424.567 1.636 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(N)=O)c2)C1 1359319399 YJWLBGWONUJCFP-SFHVURJKSA-N 407.478 1.607 30 10 HDEE N#CC1(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CCSCC1 1359936171 RDSPRKOOMIIIMY-INIZCTEOSA-N 416.551 1.435 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCn2ccnn2)CCOC1 1360320507 YHZXBCIKVAYAMX-LPHOPBHVSA-N 402.503 1.739 30 10 HDEE Cc1oc2nc(O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC1CCN(CC#N)CC1 1443996021 BYZGOMOOAXMYEK-UHFFFAOYSA-N 421.457 1.958 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCN2CCCO)cc1B1OC(C)(C)C(C)(C)O1 1450064674 IFQWXXYOOXDXIT-GOSISDBHSA-N 402.344 1.871 30 10 HDEE CS(=O)(=O)C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1465588946 DWMONVFAUUHXHC-QGZVFWFLSA-N 424.475 1.639 30 10 HDEE C#CCOCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1466372206 CXTQSFXFFJXPEU-CQSZACIVSA-N 400.522 1.053 30 10 HDEE COc1ccccc1[C@H](C)N(OC)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1469938107 STQIBGPXRJIZMC-AWEZNQCLSA-N 403.460 1.996 30 10 HDEE COC[C@@]1(C(=O)NCCc2ccc(C#N)cc2)CN(C(=O)OC(C)(C)C)CCO1 1470075148 SKFGVVJUSNSCMR-OAQYLSRUSA-N 403.479 1.869 30 10 HDEE C#Cc1ccc(CNC(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1470230276 HBSRVHQKWBHBNF-UHFFFAOYSA-N 412.515 1.608 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@@](C)(C#N)C1 1470394108 LLMXUVUJTAYPNY-ICSRJNTNSA-N 421.519 1.913 30 10 HDEE C#CCN(C(=O)c1cn(C[C@@H]2CCOC2)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882009 UPPSVADCPNKPLT-INIZCTEOSA-N 417.510 1.790 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cn(C)cc2C(=O)OCC)s1 1472111715 SIFVTRPTLSKJFF-UHFFFAOYSA-N 411.505 1.909 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(Cc1cc(C#N)ccc1Br)C2 1473872010 DLPNBWWJEGDJNP-OAHLLOKOSA-N 403.284 1.693 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCN3CCN(c4ccccc4)CC3)CC2)cn1 1477272126 HKYGSYACMMIWAA-UHFFFAOYSA-N 419.533 1.607 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N(CCO)C1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)CC1 1490153989 DMAFAUAHHDWNNI-ZVXZJYCBSA-N 402.535 1.992 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@]1(O)CCOC1 1505074560 UZEIQRZSJFNQBQ-FVCZOJIISA-N 405.499 1.284 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@](C)(CC)O1 1507653291 MJCQGJDBXQDMHJ-HLIPFELVSA-N 404.536 1.601 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)Oc1ccc(F)cc1 1507712905 SRONURRSXIRXIY-CRAIPNDOSA-N 415.469 1.922 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)CC1 1507843095 RPUSAAFNWQSPTN-UHFFFAOYSA-N 411.514 1.331 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1507980710 FPOHYADHMKDOAO-KRWDZBQOSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](C2CCOCC2)C1 1508088987 HTSBCRXYIMWWEV-ZWKOTPCHSA-N 403.527 1.727 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1508135219 FVPIXEBVGCWUQO-HNNXBMFYSA-N 403.508 1.213 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H]1C 1508135444 IOEMKVVAXLFGCX-HNNXBMFYSA-N 401.492 1.643 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC[C@](C)(C#N)C2)C1 1508205745 BRXJCUJMGSKBKB-LAUBAEHRSA-N 415.542 1.805 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1CCCCS1(=O)=O 1511885651 CGWYVMCQLGXWST-KRWDZBQOSA-N 415.523 1.147 30 10 HDEE CCc1nc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)cs1 1513752300 ULSSSROXSCTRHR-ZFWWWQNUSA-N 406.512 1.798 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)COCCO2)CCOC1 1516197232 LAUXAQJSIYEFGZ-PWRODBHTSA-N 419.526 1.866 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCC(OC)CC2)CCOC1 1516219136 CXRMIVNXFWUYJE-JWYNLTDQSA-N 419.526 1.864 30 10 HDEE CO[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC#N)CC1)C(C)C 1517808403 DPNLWEFESQREAC-GOEBONIOSA-N 412.560 1.689 30 10 HDEE CNc1cc(-n2nc(C)cc2NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)ncn1 1519854621 GTWFVGAJNDYCGI-HNNXBMFYSA-N 416.445 1.876 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)Cc2ccccc2S(=O)(=O)C(F)F)CC1 1521309309 HEHHAPFISSJISF-UHFFFAOYSA-N 400.403 1.531 30 10 HDEE C#CCN(c1nnc(C2CCCCC2)n1C[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1525907078 HGLKFHJVUHQISK-AEFFLSMTSA-N 406.552 1.989 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@](C)(C#N)C3)CC2)o1 1533646050 VEGSFQJNRQJWEN-IBGZPJMESA-N 423.491 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1CCOCC1 1538975920 FPZKVPDIUSZRJU-UWJYYQICSA-N 405.543 1.499 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1539118605 CAVNCMFZEAMVJQ-HOTGVXAUSA-N 402.524 1.321 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1CCCO 1539284730 AUJXZRXNRIDJII-LJQANCHMSA-N 412.563 1.553 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnn(C)c2C)CC1 1539436655 YLYNATMSWNTTDH-UHFFFAOYSA-N 410.913 1.839 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1539758475 NTIZHPQDCZZNPY-OAQYLSRUSA-N 413.526 1.591 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](NC(C)=O)C2)nnc1[C@]1(OCC)CCOC1 1539759833 LOCKAFGLPKHFIA-RXVVDRJESA-N 421.542 1.628 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(N)=O)C1 1539816774 DKRBVOROJSFVJB-LBPRGKRZSA-N 408.915 1.724 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)N(CC)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1540568712 MSQSSMKOSYWESZ-UHFFFAOYSA-N 422.570 1.812 30 10 HDEE O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccc(C#CCO)c1 1540654133 PLDQKGLDWYWKJP-UHFFFAOYSA-N 421.497 1.956 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1540855063 WWGCWWCQMCLQTO-HUUCEWRRSA-N 404.448 1.649 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1540870638 RNSDOTGYUPSEIB-QGZVFWFLSA-N 400.527 1.590 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C(N)=O)cc2)C1 1540895492 TVTLABZJKBSXFW-GOSISDBHSA-N 424.505 1.329 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1540905986 XXRDBMZYPGTYEL-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE CCCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1547080704 STZZYJXPZCSMRL-UHFFFAOYSA-N 412.494 1.824 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CC1 1554493865 KSIJQKXFCGHJSU-UHFFFAOYSA-N 419.436 1.560 30 10 HDEE CO[C@]1(C)CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1554693983 CLCKDXUEQHASTG-XDSRXIPYSA-N 414.510 1.762 30 10 HDEE Cc1cccc(-n2cnc3cc(C(=O)NCCn4cc(C#N)c(O)nc4=O)ccc32)c1 1557599507 ARFSHEWEIDIXEX-UHFFFAOYSA-N 414.425 1.898 30 10 HDEE C#CC[C@H]1CCN(Cc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)C1 1560136129 LPLNLYQUXYGENN-KRWDZBQOSA-N 416.547 1.922 30 10 HDEE C#C[C@H](NC(=O)NCCCCN1CCN(c2ncccn2)CC1)C1CCOCC1 1563963770 BFEVVMNPOOACQS-IBGZPJMESA-N 400.527 1.106 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2C[C@H](CNC(=O)OC(C)(C)C)C2)n1 1565447068 WXKDFHYPGJMLMS-SAABIXHNSA-N 419.526 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CCn2c(O)nnc2C1 1567886298 ARDRIZYOHKDBGK-QGZVFWFLSA-N 424.461 1.732 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCS(=O)(=O)C2CC2)nnc1-c1ccco1 1585063628 LWYFBNQSIJCDKO-UHFFFAOYSA-N 410.521 1.900 30 10 HDEE CC[C@@H](C#N)N(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O 1585342312 FOMYUCTWRLSONQ-GJZGRUSLSA-N 405.476 1.774 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1588025389 YIVJXZQLEGHTGY-GVDBMIGSSA-N 423.583 1.548 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)C)[C@H]1CCS(=O)(=O)C1 1588035279 QOMDIHVQKHHIQG-LPHOPBHVSA-N 410.540 1.213 30 10 HDEE Cc1ccc(NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1OCCCCCO 1588081855 JWMDZJRRDSXZBD-UHFFFAOYSA-N 400.435 1.699 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCOC[C@@H]2C)CC1 1588913602 NZWUWPIYKAXSED-PKOBYXMFSA-N 424.549 1.922 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(C)CCCO2)CC1 1588968976 TXCBKKSVISWMDS-DYESRHJHSA-N 401.511 1.665 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1593740570 CFISGPUWUUTSON-GUXCAODWSA-N 405.499 1.206 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 1595405115 CRXQTGRVOLYMCC-LSDHHAIUSA-N 406.512 1.517 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1595537697 WJJSZXANOQADNC-SJLPKXTDSA-N 402.543 1.395 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1595556063 MSITYPDOWUOKLF-LJQANCHMSA-N 412.513 1.985 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@H](C(=O)OC)[C@@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 1607759589 CBMUNCDZPUZHRA-WHSLLNHNSA-N 408.495 1.721 30 10 HDEE Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1612560659 XLPPIOWNXCJWDP-SJORKVTESA-N 406.556 1.921 30 10 HDEE N#Cc1cccc2c1CCCN2C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O 1616596798 PXNREHRQIXNZDU-UHFFFAOYSA-N 400.438 1.909 30 10 HDEE CCCN(C(=O)COc1cccc(Br)c1C#N)[C@H]1CC(=O)N(C)C1=O 1617552685 LFTUAOAYQCZTEJ-ZDUSSCGKSA-N 408.252 1.695 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@H]2N(C(=O)OC(C)(C)C)CC23CCOCC3)C1=O 1618022750 WNXCMILVXHQYPO-HZPDHXFCSA-N 407.511 1.648 30 10 HDEE N#Cc1cc(F)c(OC(=O)CN2C(=O)[C@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)c(Br)c1 1618686686 YDTCSLATIJITBH-RFHZTLPTSA-N 423.194 1.528 30 10 HDEE CCN(CC)[C@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccccc1Cl 1624904373 ANYPNESMSYUNDE-MRXNPFEDSA-N 403.870 1.673 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCC[C@H](C(N)=O)C3)n[nH]2)c1C 1626308208 FKHLQOAXAKNMRZ-INIZCTEOSA-N 413.526 1.393 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCNC(=O)c2cc3ccccc3[nH]2)n1 1626714071 PYLUPWVRCSNTLN-UHFFFAOYSA-N 407.474 1.793 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1 1629725804 DHCXVUDCTKMEQO-NVXWUHKLSA-N 404.492 1.535 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NCCC)CC1 1629913717 NERWCWCWGLTTGK-KRWDZBQOSA-N 408.543 1.400 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(OCc2cccc(C#N)c2)c(F)c1 1632263470 QLHPYNMXIUGULW-CYBMUJFWSA-N 423.408 1.406 30 10 HDEE C=CCN(C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H](C)COC 1632749438 BZBYNXDAZUCNLI-AWEZNQCLSA-N 402.538 1.361 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)Cc2sc(CS(C)(=O)=O)nc2C)c1OC 1632984579 KZNOERVRCJMAMT-ZDUSSCGKSA-N 423.516 1.937 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1ccc2c(c1)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N2 1633899783 KEBRWUOUOHZWEB-WMZOPIPTSA-N 415.490 1.969 30 10 HDEE COC(=O)c1cnc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1634932164 UKPDPUXCSGGJDL-JTQLQIEISA-N 422.488 1.063 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@]2(C)C[C@H](O)CN2C(=O)OCc2ccccc2)CC1 1636664145 BVLOOFKKEXSHJF-RXVVDRJESA-N 400.475 1.525 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1638082893 BESJDXRDVRRZQE-RKQJOMJXSA-N 400.523 1.987 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OC 1638401216 JAYXULBNUXZNSJ-GFCCVEGCSA-N 419.297 1.724 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1O[C@@H]1CC(=O)N1 1639527890 MFKULNIPUAWHGB-KPZWWZAWSA-N 414.443 1.089 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cc(C#N)c[nH]1 1640062145 IMSBAWWGKJHVAI-WCQYABFASA-N 414.384 1.880 30 10 HDEE Cc1cc(O)nc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1644279295 FGDMYSZZBJLAJV-UHFFFAOYSA-N 415.475 1.079 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2CCOc3ccc(Br)cc32)c(=O)nc1O 1646149002 YWENVFZYPPHQRI-LBPRGKRZSA-N 419.235 1.266 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc1 1648619430 KHRGMYMUWGHKQB-LIRRHRJNSA-N 414.487 1.992 30 10 HDEE C#CCN(CC(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1649128116 GCJYAGPLRXXUAW-LSDHHAIUSA-N 411.499 1.343 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(NC(=O)CSc3nncn3C)c2)CC1 1650952005 YISYJPWQUPGHAN-UHFFFAOYSA-N 413.503 1.536 30 10 HDEE CCOC(=O)c1nc(N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc1Br 1651249656 WJXDNIAWOGXDGW-UHFFFAOYSA-N 420.223 1.216 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCN=S(C)(C)=O 1652323070 SCDSYZVFZKCLRR-UHFFFAOYSA-N 418.313 1.942 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CS[C@@H](C)C(=O)NCC(=O)OC(C)C)c1 1652887206 QGKBJFZOEWVWMV-ZDUSSCGKSA-N 405.476 1.506 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@@H](C)c2cccc(S(=O)(=O)NC)c2)c1 1657933284 VMOKUXVXBAZJPY-AWEZNQCLSA-N 414.487 1.575 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)CC1 1659694255 CREMZLOGJDJXIV-BZSNNMDCSA-N 405.543 1.372 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c1N 1663791233 GVHYMAIOANCCCP-UHFFFAOYSA-N 403.464 1.539 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1663918642 FLEMUJHBWFMQSX-KGLIPLIRSA-N 401.410 1.784 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2C(=O)NCC(=O)NCC#N)C1 1680958416 XANIDUDOMBVFMR-JKSUJKDBSA-N 407.515 1.837 30 10 HDEE C#CCN(C(=O)NCC1CCN(Cc2ccncc2)CC1)[C@H]1CCS(=O)(=O)C1 1683841929 CZDPPVGTAKMETR-IBGZPJMESA-N 404.536 1.126 30 10 HDEE C=CCCSCCNC(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1683853453 DCRZSLUVSUCEHA-UHFFFAOYSA-N 418.507 1.456 30 10 HDEE C#C[C@H](CC)NC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1686675921 SQFTUWPJUHEWBU-DLBZAZTESA-N 406.527 1.899 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1689850589 DXFKTZHZWKTJHY-SWLSCSKDSA-N 407.565 1.954 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1689892839 NZUICPWQUDUDGR-SOABOVLPSA-N 406.552 1.581 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1689928323 LQWRQJUJNOYSOD-HNNXBMFYSA-N 412.454 1.589 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1689992330 JKHXXMIBTXWLKK-GOSISDBHSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1(C(=O)NCC)CCC1 1690015626 SRABGWVIIVYPLZ-UHFFFAOYSA-N 422.489 1.385 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)N(C)C)CC1 1690119636 MGDYRKQOKIHLBH-KRWDZBQOSA-N 410.522 1.422 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690124108 FNJJRSSIJZDNNH-PMACEKPBSA-N 414.554 1.186 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1690180707 JVXSJYSUILAVER-HOTGVXAUSA-N 416.551 1.014 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1690341833 VADUSAWZIYTPGF-GJZGRUSLSA-N 419.917 1.855 30 10 HDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1690508069 AOPQMNPPUFNSDU-GOSISDBHSA-N 413.478 1.662 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1690645942 BMMFDZSYQMOSCL-UHFFFAOYSA-N 417.583 1.810 30 10 HDEE CC(C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1692477903 VDKHQDOCZAJYJI-AWEZNQCLSA-N 401.471 1.075 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1698228430 WCZBCUMWKRCQNQ-PWAOUJBFSA-N 416.526 1.751 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC2(N(C)C)CCC2)CC1 1705647774 LHTLTBBCKYSKHL-UHFFFAOYSA-N 422.537 1.185 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705686866 NBOHZWSZMAXHBF-MRXNPFEDSA-N 406.288 1.446 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1705762100 MGSZAQJGSBKSMX-JCGIZDLHSA-N 422.961 1.871 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1705876077 OIMOLNZFIOGAGN-HNNXBMFYSA-N 421.498 1.972 30 10 HDEE C=CCn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCNS(C)(=O)=O 1705889531 CQBZBIBLRFUIBY-UHFFFAOYSA-N 402.480 1.772 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1 1705898838 ZELMJWUFEHCCDN-OAHLLOKOSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)c2ccc(C)s2)CC1 1705901768 WABYFKZGSIMBAD-UHFFFAOYSA-N 414.535 1.790 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1705935621 XHRDTZGGNSKTAB-INIZCTEOSA-N 423.583 1.669 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)C1 1706021202 IIJRQOLHOFKCEL-SLFFLAALSA-N 424.505 1.462 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1706749743 CDKIABJSSZQBHI-AWEZNQCLSA-N 408.528 1.106 30 10 HDEE Cc1ccc([C@@]2(O)CCN(c3nnc(C)n3CCN/C(O)=C3/N=CC=CC3=O)C2)cc1 1707338978 BFMPYTDEMPKJMT-SHQVNNEXSA-N 422.489 1.519 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)n1 1707832776 HERPFJHBFNOYKJ-UTKZUKDTSA-N 413.526 1.810 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1710326523 ANBMZJGIGFUZAH-QZTJIDSGSA-N 410.478 1.309 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1711507218 GFDIXCJSYKTSFU-INIZCTEOSA-N 423.521 1.252 30 10 HDEE N#Cc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CC(N)=O)C2)o1 1712880602 DMJJTOYMOFWWRG-AWEZNQCLSA-N 411.466 1.005 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1722278286 QKTQKBVFHNKUFH-OLZOCXBDSA-N 409.487 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(F)(F)Br 1722281377 YNHMEKZYHJKFNT-BDAKNGLRSA-N 414.276 1.334 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCC(=O)N1CCOCC1 1722297851 PYZSWOFYQFOKOW-CQSZACIVSA-N 402.524 1.341 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722298082 UWDJKORTSQXWIY-HOCLYGCPSA-N 407.565 1.670 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cl)c1 1722429863 XBCNWXMELKEONN-INIZCTEOSA-N 422.938 1.968 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1722436453 GYUBLEBAXWSILL-MOPGFXCFSA-N 416.570 1.827 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722535852 PCJMNWINVSJNIF-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1722617425 JVDSWEJXAPCFID-CVEARBPZSA-N 402.499 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](C3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1722731488 MDCORIRRFBJDLE-FXAWDEMLSA-N 424.567 1.767 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1722822946 GKLADLLBQNDDAC-UHFFFAOYSA-N 409.494 1.446 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1 1740540469 WAGKUWQNDSFUIX-VLIAUNLRSA-N 402.520 1.968 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)CC[C@H]2C1 1740579796 UFYWUZNWLITXDS-LNLFQRSKSA-N 401.511 1.617 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCN(CC)CC1 1740613599 NWLOFEISUAEVIE-UHFFFAOYSA-N 421.549 1.826 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nc(C(F)(F)F)cs1)[C@@H]1CCS(=O)(=O)C1 1740616926 IZUAHOFGVQWCHR-LLVKDONJSA-N 419.454 1.737 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCc1nnc(C)s1 1740647331 SALXGUOEUWRCBA-HXUWFJFHSA-N 414.535 1.796 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCCC3)n2CC(=O)N(C)C)n1 1740688995 NGZSHXXRLJULOM-UHFFFAOYSA-N 413.526 1.507 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CCN2CCC[C@@H](C)C2)CC1 1740690164 HQRUCLHBQSKOIT-UXHICEINSA-N 418.586 1.489 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2c(CC)nn(C)c2CC)CC1 1740694095 YFRSXZKVDHEQBM-UHFFFAOYSA-N 420.565 1.945 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2CC2)CC1 1740702974 CINHCPVRTGZWEB-QFIPXVFZSA-N 415.538 1.696 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740714959 APVXBMSAZKUKRD-KRWDZBQOSA-N 415.567 1.204 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1740848017 ACIRUWNNIVQULF-HOTGVXAUSA-N 416.526 1.857 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1740884656 IFAQNKFAFYSBEL-LJQANCHMSA-N 415.542 1.572 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1740941181 DRMINABFBBKGQP-SFHVURJKSA-N 420.535 1.360 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1740943148 RSGUHFHCVGLPBW-GOSISDBHSA-N 402.480 1.126 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H]1C 1740959313 RPLNTCQXRDNCQV-CQSZACIVSA-N 407.478 1.483 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](Cn2cccn2)C1 1740986287 VMYAUKUTPHRFFK-INIZCTEOSA-N 408.528 1.104 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@H](CC)C2)nnc1[C@]1(OCC)CCOC1 1740994321 PDJREDLPKMVNRN-LPHOPBHVSA-N 412.556 1.767 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccc(F)c(F)c1F 1741678463 FJIXKQPDPKIKME-ZDUSSCGKSA-N 422.411 1.805 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741725923 QVMLYWWGUOQBKM-XOBRGWDASA-N 414.466 1.143 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](C(=O)NC)C1 1748760196 VJRLPLCYURTKKR-OAHLLOKOSA-N 414.535 1.645 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCCS(C)(=O)=O 1748945439 SSQIFFFQGHQHAY-KRWDZBQOSA-N 420.510 1.996 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)C)C1 1748960517 KRVFDAWVVGBUOO-MSOLQXFVSA-N 402.543 1.436 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nc(C)c(C)s2)CC1 1748971122 DNHGBJHSQDAOCT-UHFFFAOYSA-N 413.551 1.391 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1748979540 DLIMPHDJMDUCBC-IBGZPJMESA-N 417.517 1.487 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)c2occc2C)CC1 1748986845 JIHGWRNNYJYVCL-UHFFFAOYSA-N 421.505 1.750 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccco2)CC1 1748994272 WWCHHTKABJFUAD-UHFFFAOYSA-N 419.489 1.042 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(C(N)=O)cc1 1749019931 FVQDRRBQXPLSNY-UHFFFAOYSA-N 414.535 1.518 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(CC(N)=O)CC1 1749126790 GSWSPVXJTMXMPE-LPHOPBHVSA-N 413.526 1.752 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749427183 MPZFMLQDNYFYRM-CHWSQXEVSA-N 408.446 1.914 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1749602518 HYOIHSGQAQUZTI-DYESRHJHSA-N 412.494 1.306 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)Cc1cnccn1 1749668939 GQQIZJDVAIKLRV-SFHVURJKSA-N 421.461 1.519 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCOCC2)cc1 1749686482 UZKHMVBIKIUXHN-KRWDZBQOSA-N 418.519 1.630 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(CC)Cc1cccs1 1749732293 UYTSZWPNZVVRCY-HNNXBMFYSA-N 423.564 1.918 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1750940765 DEINRJMIKPDAIJ-AWEZNQCLSA-N 408.466 1.657 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1750969762 DYDJOYODMCWIOS-ZIAGYGMSSA-N 421.502 1.058 30 10 HDEE Cc1nc(CCn2c(N3CC[C@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1751793626 WNIKUNFXCXKHEN-OALUTQOASA-N 418.477 1.430 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1760114601 PLWKVSBBXQEBDA-CYBMUJFWSA-N 400.483 1.626 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1760115790 BOHHIWSGXJNYLH-RDJZCZTQSA-N 401.536 1.752 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ccn(C)n2)c1 1760128726 QYHSAESEEKGCED-KRWDZBQOSA-N 419.489 1.620 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1760229177 GSRVLQRWWRYKNJ-UHFFFAOYSA-N 415.929 1.617 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1C 1760330478 DYWWOWBMRIBORN-UHFFFAOYSA-N 415.523 1.928 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)NC(C)C 1760504997 HYGDGUKICCZPSI-SFHVURJKSA-N 415.494 1.954 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1760513591 MMEOCKVDPPUUJU-KDURUIRLSA-N 415.586 1.581 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(COC)CC1 1760525831 TUXYCBOCOSOVJB-UHFFFAOYSA-N 404.540 1.799 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCc2cc(OC)c(OC)cc2C1 1760550788 JKCUZRQMMVRICG-UHFFFAOYSA-N 406.508 1.767 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1760696819 LMPLESUFKYXNBB-AWEZNQCLSA-N 408.553 1.562 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1766870746 GPAGHCWWJPRDTP-IBGZPJMESA-N 400.414 1.246 30 10 HDEE COCC(=O)N1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1770680306 PXUWLLCYQLKGKB-UHFFFAOYSA-N 421.461 1.072 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)CN2C(=O)COc3ccccc32)CC1 1850005946 SJXZVTVAOXGLAF-UHFFFAOYSA-N 405.458 1.711 30 10 HDEE COc1cccc(CN2C[C@H](C(=O)Nc3ccnc4c(C#N)c(C)nn34)CC2=O)c1 1851586598 MBROCLDUYXOUQL-OAHLLOKOSA-N 404.430 1.905 30 10 HDEE O=C(Cn1cnc(C2CC2)cc1=O)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1851913991 LLJNSANGIBSSQH-UHFFFAOYSA-N 406.386 1.381 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)c3ccc(N4CCN(C)C4=O)cc3)C(=O)C2)C1 1853679957 WNRFZXFHZFQYAF-IBGZPJMESA-N 411.506 1.103 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)c(C)c1 1854009946 HPPQUKQEUSXKDP-UHFFFAOYSA-N 412.471 1.552 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2c(OC)nc(C)c(C)c2C)C1=O 1854158092 JTUZIXLYIPPVKE-IRXDYDNUSA-N 414.506 1.475 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)C1 1854820393 KBVSZXNPNXKZMY-UTKZUKDTSA-N 400.454 1.582 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CC(Cn4cc(Cl)cn4)C3)C2=O)ccn1 1854914127 ZYWBSRCDSFEGEI-GOSISDBHSA-N 412.881 1.956 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)Cn3c(=O)oc4ccccc43)C1=O)CC2 1855176105 FZTMQCSPYFIUJT-DOTOQJQBSA-N 408.458 1.738 30 10 HDEE COc1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)CC2=O)cc1OC 1856341153 LVFHPGFKUXWYPS-UHFFFAOYSA-N 409.442 1.939 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(F)c(F)cc2F)C1=O 1856721497 GYRNKLGXUXWUMU-IRXDYDNUSA-N 409.408 1.954 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)cc3C)C2)CC1=O 1856788436 ZQPZSMYOWJXAGB-UKRRQHHQSA-N 412.439 1.016 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3c(=O)sc4ccccc43)C(=O)C2)C1 1856872375 QNXVIZZHZKBMGV-INIZCTEOSA-N 414.531 1.384 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ncccn1 1857004583 WOOYIERXAGRAGY-OAHLLOKOSA-N 412.471 1.935 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CC2CCC(=O)CC2)C1)[C@@H]1CCN(C)C1=O 1857060482 FXAQRHZWADRKPR-IEBWSBKVSA-N 403.523 1.620 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)[C@@H]3Cc4ccccc43)C2=O)CC1 1857069842 YEYWHSUBGFITCG-WOJBJXKFSA-N 401.470 1.543 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1C[C@@H]1COc2ccccc2O1 1857185414 KUXLGFFXZMDHHB-QGZVFWFLSA-N 406.442 1.856 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2=O)CC1 1857295682 UIIJFDNSHUDDRR-AEFFLSMTSA-N 415.515 1.106 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(F)(F)F)C1 1858394044 PTOJYMSLNDBOMI-HIFRSBDPSA-N 408.380 1.899 30 10 HDEE C=CCOc1ccccc1OCC(=O)N1CC(Oc2cccc(-n3cnnn3)c2)C1 1869909654 UGYIHKRBLDYOAL-UHFFFAOYSA-N 407.430 1.896 30 10 HDEE CN(C)c1ccc(-n2nnc(C#N)c2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1870097864 ARROWNVKRYBLDP-UHFFFAOYSA-N 413.419 1.914 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1/N=C/c1ccc[nH]1 1874278520 VCPNUSLBRKIRHU-AHURVMIPSA-N 404.496 1.868 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ncns1)C(=O)ON1C(=O)c2ccccc2C1=O 1880980501 SNZBCOUELLQQIX-LBPRGKRZSA-N 418.431 1.728 30 10 HDEE C=C(I)CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CC(N)=O 1892104674 WSYXEHOHCIHEPV-NSHDSACASA-N 409.268 1.732 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1 1984788373 LTSGATDUYOHRCQ-HTAPYJJXSA-N 415.490 1.749 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H](NC(=O)OCc3ccccc3)C2)c(N)c1 2044238693 AVLURIXAWSFFKP-IYBDPMFKSA-N 400.460 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CC(CO)(NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 2118163813 TVEAMQFATFRAFX-UHFFFAOYSA-N 401.872 1.472 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174788232 CAVYSYYZJKVKRF-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE COC(=O)NS(=O)(=O)N(C)Cc1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2237636598 FXTKMSYVNSNWRP-UHFFFAOYSA-N 404.319 1.388 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2243384192 LSRZZZIZZPRWPY-STQMWFEESA-N 406.292 1.115 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCNOCc1ccccc1 2247840053 HIJDKTGJFWESRM-UHFFFAOYSA-N 414.315 1.479 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2250003080 SKRVGMHQMVGRBY-OAQYLSRUSA-N 422.331 1.890 30 10 HDEE Cn1nc(C(=O)NCc2nccn2Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2255838700 KDLONWRBZZBFPA-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE C#CC[C@@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CC1 2258161458 CBRDKGLHVAPUMS-IAGOWNOFSA-N 408.476 1.176 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258173277 YHVKUHADCYSXIH-INIZCTEOSA-N 410.492 1.677 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3(O)CCC3)cc2Cl)OC1(C)C 2267359361 LWBPTDAANNQPDC-UHFFFAOYSA-N 407.750 1.894 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCS[C@@H](CO)C2)OC1(C)C 2267366928 MKUJPFZWEFKXAT-LLVKDONJSA-N 405.372 1.146 30 10 HDEE C#Cc1ccccc1CNS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2270542093 KAQAZXVNUVUIBL-GOSISDBHSA-N 416.455 1.467 30 10 HDEE C[S@](=O)CCCCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282008999 NOKIYAVTFGQNNO-SANMLTNESA-N 400.737 1.923 30 10 HDEE C[C@H](O)C[C@@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341411 RSVHRWGNMSFLDR-STQMWFEESA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@]2(C)C(F)F)OC1(C)C 2282494119 WVEHVDFSAJOXNK-ZUZCIYMTSA-N 408.301 1.905 30 10 HDEE C[C@H](CCO)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494347 YMQHZMBFAHOWCY-LBPRGKRZSA-N 404.363 1.270 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](F)[C@@H](CO)C2)OC1(C)C 2282501426 WYBKZJQYDNCHHR-CHWSQXEVSA-N 405.322 1.139 30 10 HDEE C[C@@H](NS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCSC1 2282502306 JGGYWZYHIPMYSO-VXGBXAGGSA-N 401.363 1.139 30 10 HDEE C[C@H]1COC[C@H]1N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282504697 SILGPUIDOPPPRU-WCQYABFASA-N 402.347 1.239 30 10 HDEE CC(C)C[C@H](CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506178 OLXVHJRWXOYGJG-GFCCVEGCSA-N 403.379 1.235 30 10 HDEE CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C1=CCS(=O)(=O)CC1 2282782636 COFYEZISGGSQAA-KXBFYZLASA-N 401.525 1.945 30 10 HDEE COC[C@@H]1C[C@@H]1CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282829816 KQSVEWBWAWDEFJ-OLZOCXBDSA-N 401.359 1.917 30 10 HDEE C[C@H](O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860138 VYEXZXKBGNDOBC-STQMWFEESA-N 401.359 1.971 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1C 2282861000 JEUFEIAKRWYRCY-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE CCOC[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284373199 LZUGDLITEQNNFJ-JTQLQIEISA-N 403.693 1.920 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCCCCC(=O)O)OC1(C)C 2284404009 VCQASUVNTRXPPO-UHFFFAOYSA-N 403.331 1.971 30 10 HDEE CC1CC(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)(C(=O)O)C1 2284414140 PJEDHSBOAIBJES-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2288909925 JZYVAGMUWVJGCU-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE C=CC[C@@H](O)[C@@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314225021 IKCXZDQSWKVNGS-DLBZAZTESA-N 406.504 1.650 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365252693 FLAWPBVDARMFLL-ZIAGYGMSSA-N 403.497 1.540 30 10 HDEE CC(C)(C)OC(=O)N1CC([C@@H](C#CC2(S(C)(=O)=O)CC2)OCCC(=O)O)C1 2367796941 SCUSIWAANFDXGF-CQSZACIVSA-N 401.481 1.294 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367810942 CNSNFVKTQGRACT-JYJNAYRXSA-N 400.541 1.306 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@H]2CNC[C@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2369654671 OMEGTARGXQOHTJ-NEPJUHHUSA-N 404.338 1.286 30 10 HDEE CN(C[C@H]1C[C@H](F)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2380480446 JXSPLVYIIXWBCT-HAQNSBGRSA-N 404.338 1.952 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)CC1 32464355 MCLHRRYZXBGAKQ-UHFFFAOYSA-N 416.566 1.156 30 10 HDEE CC(C)C[C@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO 44699816 FWFGIHPGRQZWIW-BZSNNMDCSA-N 406.479 1.858 30 10 HDEE in-vitro C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccccc2OC(F)(F)F)CC1 55291949 SEOZPNPMIISGTI-UHFFFAOYSA-N 407.414 1.194 30 10 HDEE N#CCCN1CCN(C(=O)c2cccc(N3CCN[C@@H](c4ccccc4)C3)n2)CC1 65256308 YXPCVZFHEQBTCK-OAQYLSRUSA-N 404.518 1.904 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2COc3ccccc3O2)ccc1F 105868294 VUUWBOMEGHCIDW-CQSZACIVSA-N 406.435 1.860 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)cc1 238916649 SOZFALNVVRPBRT-AWEZNQCLSA-N 402.432 1.367 30 10 HDEE CNS(=O)(=O)c1ccc(C(=O)N[C@H](C#N)c2ccc(Br)cc2)cn1 473674862 HAJTXFLIBSEHRA-CYBMUJFWSA-N 409.265 1.747 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccccc2-n2nc(C)cc2C)CC1 474337769 QQLRHGDOCZHPAB-UHFFFAOYSA-N 410.522 1.619 30 10 HDEE CNC(=O)c1cc(N(C)S(=O)(=O)c2cc(Br)cc(C#N)c2)ccn1 475411703 IQKCMLCUBRNJKN-UHFFFAOYSA-N 409.265 1.900 30 10 HDEE CN1CCN(c2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)ccn2)CC1 490271055 MPLGMGAKDCMDMP-FQEVSTJZSA-N 418.501 1.236 30 10 HDEE C=CC[C@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 513224081 PZCAQNIHYVULDF-GFCCVEGCSA-N 414.300 1.814 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 515712697 NUPCLPVJNTYXLV-INIZCTEOSA-N 407.540 1.950 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC1 516681884 SICZOISJPKGPMQ-IRXDYDNUSA-N 416.526 1.147 30 10 HDEE Cn1cc(C(=O)NCC2CCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)cn1 532827097 HPAJBQQIVASQNF-UHFFFAOYSA-N 415.519 1.207 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](CC(=O)O)C2CCOCC2)c1 548592160 IEKWFJIDHRGXNG-CQSZACIVSA-N 417.281 1.869 30 10 HDEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 549665719 UDWMTJZEQZMVNB-UHFFFAOYSA-N 411.470 1.066 30 10 HDEE CCOc1ccc(NC(=O)Cn2cc(C#N)cn2)cc1S(=O)(=O)N(CC)CC 550014393 WNKQSXKOJQLEEA-UHFFFAOYSA-N 405.480 1.823 30 10 HDEE N#Cc1ccc2ncc(CN3CCO[C@@H](CN4C(=O)c5ccccc5C4=O)C3)n2c1 552084191 TZZYDIOKXMPJDI-QGZVFWFLSA-N 401.426 1.703 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)ccc1F 552209860 AYUCLRDVCNTXMV-UHFFFAOYSA-N 417.466 1.273 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)cc1 555489029 PJIOBGIOCZIIIB-HTAPYJJXSA-N 406.490 1.960 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2sccc2C1 564759254 PLIONVANRUSBDW-CQSZACIVSA-N 409.537 1.421 30 10 HDEE COCCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 565473791 GRNSFOQKCKWNLF-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE COc1ccc([C@H](CC(=O)N2CCN(c3cnccc3C#N)CC2)NC(C)=O)cc1 579866815 ILAGYZDLECLKPY-FQEVSTJZSA-N 407.474 1.878 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)CCO1 585710592 LNZRSCYOBJWBSA-AWEZNQCLSA-N 411.437 1.250 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)CC1 591862318 PJMOBXQJGGJEJM-UHFFFAOYSA-N 422.913 1.631 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c(OCC(=O)N(C)C)c1 609255443 BFJVWGUYCMPUHC-UHFFFAOYSA-N 412.421 1.728 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916250 YNGWRMOQEWYEJP-UHFFFAOYSA-N 420.494 1.059 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415010 GREOWFLOVQPTPG-UHFFFAOYSA-N 415.421 1.799 30 10 HDEE C#CCN(C(=O)c1ccc(C)c(I)c1)[C@@H]1CCS(=O)(=O)C1 729333147 PCANXDXVIPUEQX-CYBMUJFWSA-N 417.268 1.862 30 10 HDEE CNC(=O)[C@H]1CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 729353854 GUPSMDOTXQDZMU-OAHLLOKOSA-N 406.508 1.023 30 10 HDEE C[C@H](C#N)CNC(=O)C[C@@]1(C(=O)NC[C@@H](C)C#N)CCN(C(=O)OC(C)(C)C)C1 742253085 IAXXKISSBVEAEI-SIFCLUCFSA-N 405.499 1.555 30 10 HDEE COCCOc1ncccc1NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742631874 UUACMYGAZKZVIO-CYBMUJFWSA-N 418.475 1.563 30 10 HDEE CN(CCC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 743791538 YGKJJTXUMMPQQG-UHFFFAOYSA-N 416.297 1.456 30 10 HDEE COc1ccc(CNC(=O)N2CCNC(=O)[C@H]2c2c(C)nc3ccccn23)cc1C#N 747402274 IJGHPEZOTAZBDS-HXUWFJFHSA-N 418.457 1.906 30 10 HDEE Cn1cnc2c1c(=O)n(CCCOC(=O)c1ccc(Cl)c(C#N)c1)c(=O)n2C 754920733 KBRGDEFDBOTLCC-UHFFFAOYSA-N 401.810 1.206 30 10 HDEE C[C@H](NC(=O)COC(=O)CNS(=O)(=O)c1ccccc1C#N)c1ccc(F)cc1 769215673 KEUGPVMZVZUSQO-ZDUSSCGKSA-N 419.434 1.396 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[C@H]1CCS(=O)(=O)C1 774170112 DSOHRTOINPINPU-KSSFIOAISA-N 403.504 1.928 30 10 HDEE COc1ccc(N2CCN(CCCNC(=O)[C@H](O)c3ccc(C#N)cc3)CC2)cc1 780861570 RZDYAUZKDGEVJC-JOCHJYFZSA-N 408.502 1.929 30 10 HDEE N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 786437865 SQQZHWIGNXLJKD-HBYKMFCXSA-N 406.483 1.069 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(S(C)(=O)=O)ccc2C)n1 788554824 LNSRFZYTVTWDRT-UHFFFAOYSA-N 404.492 1.909 30 10 HDEE C#CCOCCNC(=O)N[C@@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 788829171 XGLZPKVOHFNHIP-QZTJIDSGSA-N 415.490 1.619 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1cc[nH]n1 789947360 USJKPPBEUVXGPP-UHFFFAOYSA-N 410.434 1.538 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)COC(=O)[C@](C)(O)Cn2ccccc2=O)c1C 790683957 HUCVTPJIGMRKBA-JOCHJYFZSA-N 411.458 1.706 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)C1 796133440 UNKUHQVMFZTNDE-KBPBESRZSA-N 406.533 1.828 30 10 HDEE COC(=O)c1sccc1S(=O)(=O)NC(=O)c1ccn(-c2cccc(C#N)c2)n1 798813515 XGIMKWKBFRWYRR-UHFFFAOYSA-N 416.440 1.711 30 10 HDEE Cc1c(Br)ccc(S(=O)(=O)NC(=O)[C@H](C)n2cnc(C#N)n2)c1C 798834214 WNWAMAXDENJTOC-JTQLQIEISA-N 412.269 1.595 30 10 HDEE C#C[C@H](CC)n1c(-c2cnn(C)n2)csc1=NCc1ccc(S(N)(=O)=O)cc1 803191856 HGRWMKQRACFQTK-CQSZACIVSA-N 416.532 1.678 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCC(NC(=O)CCc2ccccc2)CC1 803698694 WWMTUBQFPQJRMY-UHFFFAOYSA-N 408.498 1.932 30 10 HDEE C[C@H](OCC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)c1nccn1C 808274585 VPLGTKSHWHVZBH-KTNMXJNISA-N 419.507 1.949 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(F)F 808316281 GTTXOCYUPTYOJU-STQMWFEESA-N 410.487 1.899 30 10 HDEE CC(C)(C)CC(=O)N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 914494401 IZHHKIJDIUDJEW-UHFFFAOYSA-N 420.535 1.222 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(CC#N)c3ccccn3)CC2)c1 1130349604 GGJUNYDXKGZFJD-UHFFFAOYSA-N 413.503 1.399 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)CCc3ccc(C#N)cc3)CC2)cc1 1132968147 CAEYHFHRZGGOLD-UHFFFAOYSA-N 412.515 1.748 30 10 HDEE C=C(C)C[C@@H](NC(=O)CCc1c(C)nc2c(C(N)=O)cnn2c1C)C(=O)OCC 1133157371 KLSYCGQZICKTHU-MRXNPFEDSA-N 401.467 1.392 30 10 HDEE Cc1c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cnc2c1c(=O)n(C)c(=O)n2C 1134282179 FAKAVPYLQPYKFV-KRWDZBQOSA-N 419.441 1.026 30 10 HDEE Cc1c(C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cnn1CCC#N 1134729290 HIYNJFMWFVSNSY-UKRRQHHQSA-N 404.414 1.687 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)c(Br)[nH]2)CC1 1137370972 DOPWVRGAQDJJPT-UHFFFAOYSA-N 404.062 1.738 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1[nH]c2ccccc2c1C#N 1142077762 IFESKLCKERWERG-OAHLLOKOSA-N 403.460 1.620 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2Br)CC1 1149999472 CZMOKQGCBDQOJV-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(/C)c2ccc(C(F)(F)F)cc2)CC1 1152967670 NFFFUYRTWPDWGG-YPKPFQOOSA-N 415.437 1.721 30 10 HDEE Cn1ncnc1C1(O)CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1153931802 ILCSYCKPISNTGX-UHFFFAOYSA-N 420.267 1.338 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)c2c[nH]c3cccc(C#N)c23)CC1 1157186183 SAHVQQWOLLHIQE-UHFFFAOYSA-N 403.460 1.622 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2)CC1 1178207045 FZQKGKLUFNXSHH-SFHVURJKSA-N 413.518 1.309 30 10 HDEE C=CCn1cc(CNS(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)nn1 1212242267 XSLVQXBTIRICMA-GOSISDBHSA-N 419.507 1.685 30 10 HDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC[C@H](CC#N)C1 1212472943 HDGGKVCFBKDRKU-CYBMUJFWSA-N 401.510 1.771 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1230269569 LHBGXQYEIGALNC-JKSUJKDBSA-N 408.499 1.064 30 10 HDEE COc1cc(CNC(=O)NCc2cccc(N(C)S(C)(=O)=O)c2)ccc1C#N 1248505800 TVKPCGRNGYUOAW-UHFFFAOYSA-N 402.476 1.962 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 1251731283 CBJCOYBRNIHKFG-MSOLQXFVSA-N 418.494 1.869 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)[C@H](O)C1 1254480774 GEDXSBSMFQDMCC-FGTMMUONSA-N 400.479 1.695 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCOCC2)CC1 1286338868 RCGKIJABYXOYLJ-UHFFFAOYSA-N 423.521 1.640 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(=O)COC)CC1 1286358053 GIPMWBVACVHRBY-LPHOPBHVSA-N 419.526 1.147 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCCCS1(=O)=O 1286365059 QHBOOJGBEKOCOR-GOSISDBHSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@](C)(O)c1ccco1)[C@@H]1CCS(=O)(=O)C1 1286389416 JREIAVFRQGRIRR-BEFAXECRSA-N 404.492 1.283 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(C(C)(C)O)cc1)[C@H]1CCS(=O)(=O)C1 1286393927 MCAPROGMRFLYAE-SFHVURJKSA-N 416.547 1.743 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCN(CC)S(C)(=O)=O 1286425852 ZIZACJOJAWBRAY-UHFFFAOYSA-N 402.524 1.408 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1286477186 QVDCLNPQMGARHZ-HXUWFJFHSA-N 422.581 1.121 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nccs1 1286517884 WSWQZBMFIDCUCR-CXAGYDPISA-N 408.553 1.580 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([S@](C)=O)CCC1 1286565525 APZWEKBOJZXUIW-PTFIGZPYSA-N 417.601 1.592 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCNS(C)(=O)=O 1286755604 FZSVCQWSGXFCHJ-UHFFFAOYSA-N 419.507 1.444 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)OCc2ccccc2)CC1 1286785783 INVLZTSDJPCHBQ-UHFFFAOYSA-N 424.505 1.917 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](F)COC)C1 1286799551 XGSNPYZCCNSMMU-CABCVRRESA-N 404.446 1.691 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C1 1286815805 ATIOXCRZASPCMI-DZGCQCFKSA-N 413.544 1.537 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN2CCCC[C@H]2C1 1286819050 XTQLXSLSDQCGCO-INIZCTEOSA-N 404.540 1.549 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286837682 ZAXHWWJYQZDQFH-LJQANCHMSA-N 409.556 1.516 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1286949939 QEVYBGWJZXPJGS-UHFFFAOYSA-N 417.464 1.730 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@@H]2CCOC2)CC1 1288986634 WOXNHCRBHOKZPI-HZPDHXFCSA-N 402.499 1.555 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1F 1289683329 IVJGXCPURHSOLG-UHFFFAOYSA-N 405.411 1.141 30 10 HDEE C=C[C@@](C)(O)C(=O)NCC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1293461234 OEKLURHYSJLENU-LJQANCHMSA-N 412.508 1.158 30 10 HDEE CCn1c(SCC(=O)N2CCN(C(=O)CC#N)CC2)nnc1-c1cccs1 1294723757 UYAQVLVQWDGVAH-UHFFFAOYSA-N 404.521 1.703 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCN(C)C)CCOC1 1296621576 KYFJNRUOVLLTDV-LEWJYISDSA-N 420.558 1.638 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(OCCOC)cc1 1297309808 LTVMYGFVWGXJJN-SFHVURJKSA-N 401.467 1.617 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2C[C@@H]2C)c1 1300332710 LJNYIOKRPIOBJC-ZVZYQTTQSA-N 406.490 1.941 30 10 HDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOC)[C@H]1CCS(=O)(=O)C1 1300505186 YTOFEYBSGDZZMU-INIZCTEOSA-N 422.482 1.269 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCC1 1300586813 LRLHKZYDNOXEJW-UHFFFAOYSA-N 411.531 1.694 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCNC(=O)OC(C)(C)C 1300666366 XVLDFVWKYNMPIZ-OAHLLOKOSA-N 420.514 1.230 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CC(=O)Nc1ccc(F)cc1 1300675750 HABQMBIFUUCYAW-QGZVFWFLSA-N 401.442 1.993 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1300990793 IDHYQMVXASQSIY-IAGOWNOFSA-N 418.542 1.565 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(C)(C)O)c1 1301272225 DOHCASICDQBPIC-AWEZNQCLSA-N 407.540 1.786 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCS(=O)(=O)CC 1301295755 ZSCJKLKKOPYIEZ-UHFFFAOYSA-N 419.555 1.509 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCCN1C1CC1 1301422415 KMWKTWYTRZUAKP-ROUUACIJSA-N 402.543 1.885 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1301508729 SCQGXLALQGFSBS-AWEZNQCLSA-N 402.524 1.324 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@](C)(O)C(C)C)C1 1301556242 GLDMGNIPOANPMW-FCEWJHQRSA-N 412.556 1.369 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1301585222 IRMIIRPIDKXJMY-MRXNPFEDSA-N 407.540 1.348 30 10 HDEE N#CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(Br)s1)C(F)(F)F 1303846919 HICKRNJPRPFPFC-LURJTMIESA-N 420.232 1.750 30 10 HDEE COc1ccc(C(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1304272452 STGWZHGFMDBNFG-IFXJQAMLSA-N 406.460 1.063 30 10 HDEE Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)s1 1304779653 HRRXWUBSRULGGR-KRWDZBQOSA-N 404.475 1.245 30 10 HDEE N#Cc1cnc(NCCC(=O)N2CCN(c3ncccn3)CC2)c(Br)c1 1306955231 GBFGWGFWNAAKEC-UHFFFAOYSA-N 416.283 1.657 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)CC1 1308070529 NPISZEVILMFXTM-UHFFFAOYSA-N 410.440 1.721 30 10 HDEE N#C[C@@]12CN(CCC(=O)Nc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1308101056 VCOWGZQZCQFDIU-LRDDRELGSA-N 412.309 1.648 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@H]2CCc3nccn3C2)CCOC1 1314084692 NZDKVBDPHOBATC-LLGFUMIMSA-N 413.526 1.985 30 10 HDEE COCCCN(C)c1nnc(-c2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1316020752 PCRDLFJQHVKNSY-CZIZESTLSA-N 410.478 1.944 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 1320061114 HJWJFFMUHNPBPX-OAHLLOKOSA-N 413.471 1.655 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCOC[C@H]3C[C@@H](O)c3ccco3)CC2=O)cc1 1333264121 MDKLSWSTCATDGP-BHIYHBOVSA-N 409.442 1.855 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCOCCN(C)C 1358885942 UOZXVLKQSJOVKJ-INIZCTEOSA-N 423.521 1.228 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1358965250 QTYXWSNBHZAGEF-ROUUACIJSA-N 417.535 1.316 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1CC[C@@H]1COCCO1 1359025406 NDNTUHYOSGGIDM-GOSISDBHSA-N 402.470 1.900 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCOC2CCOCC2)CC1 1359034248 JJQYWQCTHOJMRF-UHFFFAOYSA-N 424.549 1.989 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2(CCOC)CC2)CC1 1359047583 MHGXZVJGHLYDGH-GOSISDBHSA-N 415.538 1.912 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1 1359062299 CJKWLBWQWJCYPL-OXJNMPFZSA-N 419.551 1.331 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359096576 DPSMMOXATRPPJB-IEZWGBDMSA-N 413.526 1.717 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)COC)CC1 1359165103 GRHIEBLOJPTZNB-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)N2CCOCC2)CC1 1359174963 VJKVELSGRFSZDE-OAQYLSRUSA-N 419.526 1.191 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cc(C)cs1 1359303254 IQBJNKNRVOZZLZ-UHFFFAOYSA-N 402.524 1.709 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCc2oncc2C1 1359330399 QJWZWPBGBRUTHN-UHFFFAOYSA-N 402.480 1.435 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1359631174 SMHQYPKOTTTXRC-SFHVURJKSA-N 423.521 1.681 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2Cc2cnnn2C)CCOC1 1360332846 CTIVJCGFSDAJHX-LJQANCHMSA-N 400.487 1.235 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1360959560 HKBCEZSIRZNPSY-OAHLLOKOSA-N 408.491 1.727 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 1455927406 OUVZLVPICSIPCR-UHFFFAOYSA-N 409.327 1.701 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CN(c3nccn4nc(C)cc34)C2)c1 1457242217 DVEYNFNXJDZJIS-UHFFFAOYSA-N 423.498 1.453 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N(CC)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1460913965 DEDXEBSIFPDBAW-KRWDZBQOSA-N 409.490 1.420 30 10 HDEE C=CCn1cc(CNC(=O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)nn1 1461058890 OKFKPNXHYBRUDG-QFIPXVFZSA-N 418.457 1.701 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 1462567857 ZUWYXWWBOLAXRT-JCNLHEQBSA-N 406.504 1.638 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C1CCOCC1 1464122867 KDLHMOGAKIGPBB-HNNXBMFYSA-N 404.485 1.294 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 1464431415 QPLXSUPRTYKRNT-HUUCEWRRSA-N 416.544 1.504 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC 1466219702 NHXMHTWBGVWNPP-UHFFFAOYSA-N 408.524 1.007 30 10 HDEE C=CC[C@@H](CO)CNC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1466522773 WUVSXAWWGCZBLK-MRVPVSSYSA-N 411.705 1.664 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)s1 1466799113 PFOHITNDTSEROF-HUUCEWRRSA-N 412.533 1.352 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)c3ccsc3S(N)(=O)=O)C2=O)cc1 1466821402 GMBOQURNYPQDPB-AWEZNQCLSA-N 404.473 1.193 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(C)C[C@@H](O)c1cccc(Br)c1 1469510121 SLHYIYNALWTZLR-CQSZACIVSA-N 405.314 1.725 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)O2)CO1 1469730084 SBGQSCQKVTZETA-QHXDDQSASA-N 408.499 1.771 30 10 HDEE C[C@@]1(NC(=O)NCC(=O)NCC#N)CN(Cc2ccccc2)C[C@H]1c1ccccc1 1470096246 UYVXYJSGIFUIJH-NZQKXSOJSA-N 405.502 1.984 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1470125494 DBZILCAWIWSLKC-OAHLLOKOSA-N 422.356 1.400 30 10 HDEE C[C@H](C[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)NC(=O)OC(C)(C)C 1470621376 RTUXUDNPOXUUIT-ZUMXRPEOSA-N 414.528 1.258 30 10 HDEE O=C(CCc1nc(-c2ccncc2)no1)N(O)CCCN1C(=O)c2ccccc2C1=O 1472618238 PANSPKPCXLKSHC-UHFFFAOYSA-N 421.413 1.968 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)cs1 1492675440 YQYBTFPGMKZXJU-QAPCUYQASA-N 406.487 1.881 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@]1(C)COCCO1 1499145569 JEDYRMOUVIREDI-OAQYLSRUSA-N 414.485 1.983 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CCO1 1505323869 ZDTZNXNQBRZTIV-DLBZAZTESA-N 402.499 1.697 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1507516432 LBHXYCUHYIDWAH-CHWSQXEVSA-N 411.478 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CCS(=O)(=O)CC1 1507525818 DHXSAHCTVMAHSW-CQSZACIVSA-N 422.938 1.996 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCC[C@@H]1C 1507606379 KHWOQGGKUNZNDS-INIZCTEOSA-N 401.536 1.902 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507635409 VXPGTRAPFCXEKF-WMZOPIPTSA-N 421.611 1.976 30 10 HDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CC=C)[C@H]1CCS(=O)(=O)C1 1507640375 RAHLETTZGOONKA-INIZCTEOSA-N 404.467 1.809 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCn2ccnc2C)CC1 1507716858 VENPCDIIXZTUQP-UHFFFAOYSA-N 412.542 1.157 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](COC)OC)CC1 1507719821 BKGJNHQFRXRFFR-INIZCTEOSA-N 404.902 1.410 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2C[C@H]2CCCN2CCCO)CC1 1507720029 GPVIXVSCDQDNFM-LJQANCHMSA-N 412.538 1.449 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1507751786 QYZQHNMNQPBRJG-HUUCEWRRSA-N 404.496 1.418 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1507787128 FOJDWZFEOHSANF-HNNXBMFYSA-N 417.311 1.984 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1507835892 PJCCGUGXMGDLRA-BZSNNMDCSA-N 419.526 1.406 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2CCCNS(=O)(=O)CC)CC1 1507894557 GLYDLPJUPVKJRA-UHFFFAOYSA-N 412.560 1.148 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507936215 YSSCRVCVNKTJEX-HNNXBMFYSA-N 410.544 1.104 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1507962320 QECXTWDKBSCORZ-UHFFFAOYSA-N 423.477 1.465 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCCn2cc(C)nc21 1507967630 ITELDNDGHKCOKN-HUUCEWRRSA-N 407.544 1.593 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(OC(C)C)CC1 1508072440 QDBAGZICXQWTEY-UHFFFAOYSA-N 404.515 1.210 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(CS(C)(=O)=O)CC2)C1 1508118801 SJYBSIGGUOVESF-MRXNPFEDSA-N 420.539 1.285 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1508163648 WEAHAJPDPCUEPB-LSDHHAIUSA-N 400.570 1.572 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1508621952 FVAGAZNMQMJSEH-INIZCTEOSA-N 407.482 1.387 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1509951240 GDCSVXBZSGFMRA-LRTDBIEQSA-N 420.477 1.811 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)C(C)(C)C 1511968436 FWMLVTUIDOFHHZ-HNNXBMFYSA-N 423.521 1.646 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517674785 YCFMTEIQHHVNCD-MGPWXQLLSA-N 416.482 1.002 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C[C@H](C)n1cc(Br)cn1 1517928586 HMKQXGSSITTYAH-STQMWFEESA-N 418.299 1.996 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2c(C)coc2CC(=O)OC)c1 1528412064 LLTFVSZXVJYMDP-UHFFFAOYSA-N 424.453 1.790 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CCCS(=O)(=O)N1CCCC1 1531919206 CYCKZGDYGZVIMN-UHFFFAOYSA-N 402.480 1.342 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1cnnn1C 1539034880 KMOQVTWDQGWQCG-HOCLYGCPSA-N 414.514 1.985 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ncc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1539231091 OGJYTDVGZOOFIC-CQSZACIVSA-N 423.564 1.509 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCN1CCCO 1539284712 AUJXZRXNRIDJII-IBGZPJMESA-N 412.563 1.553 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccnc(C(F)(F)F)c2)CC1 1539446810 JMNRPXITDCSIIM-MRXNPFEDSA-N 420.439 1.999 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1540200623 FOOWTCCXEZXETH-KGLIPLIRSA-N 420.482 1.243 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCc2cc(OC)c(OC)c(OC)c2CC1 1540863774 FENJTSYGXIZZDE-UHFFFAOYSA-N 415.494 1.520 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C(F)(F)F)C1 1540915469 LULSKKISGUALBR-RYUDHWBXSA-N 405.446 1.916 30 10 HDEE CCc1nc2c(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ccnc2[nH]1 1543121495 KQTLRMSEDFBUCQ-UHFFFAOYSA-N 424.486 1.539 30 10 HDEE CCCCN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)[C@H]1CCS(=O)(=O)C1 1543450599 CIRWSEQYWYLDHP-ZDUSSCGKSA-N 416.496 1.552 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1555710000 GZDRBBJXCVXUPR-PKOBYXMFSA-N 424.505 1.585 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C(F)(F)F)C3)n2CCn2cncn2)cc1 1555989325 HDEGKJMLEUAUKN-HNNXBMFYSA-N 418.383 1.876 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2CN(Cc3ccccc3)C[C@]23CCOC3)cc1 1556381877 LGSBTJZMQDQHKQ-OFNKIYASSA-N 409.486 1.961 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC12COCCN1CCOC2 1557742938 XUJCGMOTKVUVSS-CQSZACIVSA-N 403.907 1.240 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1558675906 TWEJUMJIQVFKME-UHFFFAOYSA-N 406.489 1.582 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)cc2)nn1 1562436308 SNEOLNYEEJYLST-CYBMUJFWSA-N 400.439 1.467 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2ccccc2)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1565195630 DIPGPCKXELWZMT-SXLOBPIMSA-N 403.548 1.586 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC2(C(=O)OCC)CCC2)s1 1565809473 MKOHPNQHMOTUJY-UHFFFAOYSA-N 400.522 1.605 30 10 HDEE CCOC(=O)[C@@H](Cc1cccc(Cl)c1)NC(=O)CCn1cc(C#N)c(O)nc1=O 1568249298 TUAMSIAGEWVUBI-OAHLLOKOSA-N 418.837 1.155 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Oc2cc([S@@](C)=O)c(C)cc2OC)c1 1570509195 QQIRHSBWFSPYBD-HHHXNRCGSA-N 421.496 1.872 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)CC1 1585305029 IUFIIBJKIALTKO-CALCHBBNSA-N 404.532 1.954 30 10 HDEE C#CCCCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1587750438 XCUHUMYPYFSXPG-UHFFFAOYSA-N 404.540 1.985 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1588046066 WNAOHYDHECGNPL-KRWDZBQOSA-N 402.520 1.917 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1588074691 PSHQBEFDFMNLEP-GVDBMIGSSA-N 408.524 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cncn1 1588251721 XBJKFYXGULQHOE-UHFFFAOYSA-N 408.491 1.024 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](COC)C1 1589036949 RVUDDVDIMVATQK-INIZCTEOSA-N 416.503 1.892 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCCCC1 1589216788 XKFWSCYZMDGHSY-YLJYHZDGSA-N 405.568 1.658 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1)C1CC1 1595054497 KHSQFMFOZTYAJC-OAHLLOKOSA-N 411.597 1.384 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1595796987 CZVNFQKQEJMGGU-OXJNMPFZSA-N 424.567 1.921 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C#N)o2)CC1 1596184020 KYIOYOZRHFDOSM-UHFFFAOYSA-N 401.430 1.998 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1597191358 RNMWIYFQWDHBMY-GOSISDBHSA-N 417.531 1.963 30 10 HDEE CC(C)[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1598222400 YGPXKDGNKQRANJ-YRISNDGFSA-N 402.543 1.756 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@]1(C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1611238741 SVAKAJPYCXWMQZ-YCRPNKLZSA-N 401.463 1.908 30 10 HDEE C=CC[C@@H](NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1611408178 HYHWZQGWSKJCMT-UKRRQHHQSA-N 420.462 1.689 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NC[C@H](O)Cc2cccc(Cl)c2)c1 1611638592 FUCBYDCRUWOEDQ-MRXNPFEDSA-N 407.879 1.210 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCO[C@@](C)(C#N)C2)c1 1617895189 LBQRDIMOZLURIO-IBGZPJMESA-N 406.508 1.292 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccncc3)n2CCCOC2CCOCC2)CCO1 1620356011 QLHJBJUJIVCPFX-IBGZPJMESA-N 412.494 1.578 30 10 HDEE COC(=O)[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)C[C@H]1c1ccc(F)cc1F 1622265175 GJBZECFVHRPJKF-UONOGXRCSA-N 407.398 1.809 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(N)(=O)=O 1624064684 CHOXRFHFXGUPLU-OLZOCXBDSA-N 424.951 1.197 30 10 HDEE N#Cc1cn(CCC(=O)N2CCO[C@H](c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1624506499 CDLSPFPWOXKPEZ-HNNXBMFYSA-N 420.372 1.412 30 10 HDEE COc1cc2nc(C(=O)N3CCN([C@H](C#N)C(C)C)CC3)c(=O)n(C)c2cc1OC 1626657666 BHVLSBAQDDKUPA-MRXNPFEDSA-N 413.478 1.257 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)CCn2cc(C#N)c(O)nc2=O)CCN1C(=O)OC(C)(C)C 1626688801 GGHYDJDMODFPHO-OCCSQVGLSA-N 405.455 1.115 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(CC(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1626707421 BJJAIMYUIBYXPL-UHFFFAOYSA-N 415.494 1.410 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)c1nc(S(N)(=O)=O)c2ccccn12)C(C)C 1628248936 GHGAJKALZPXJTK-MRXNPFEDSA-N 405.524 1.410 30 10 HDEE C#CCN(CC(=O)N1CCN(c2ncccc2[N+](=O)[O-])CC1)C(=O)OC(C)(C)C 1629296699 JQJHXEBKIGDYNG-UHFFFAOYSA-N 403.439 1.509 30 10 HDEE CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H]1CCN(CC(F)(F)F)C1 1630662293 SQDHMRLCSKMLBL-INIZCTEOSA-N 417.453 1.958 30 10 HDEE C=CCN(C(=O)[C@H]1[C@@H](CNC(=O)OC(C)(C)C)C1(F)F)[C@@H]1CCS(=O)(=O)C1 1630846784 BPWWLNJCMLDDHZ-JHJVBQTASA-N 408.467 1.594 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)C1 1631483024 OWXIPPHWQIKRQH-SPYBWZPUSA-N 414.524 1.072 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 1631784623 SZFPFGHLJCKGDX-QYZOEREBSA-N 406.571 1.778 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)CC1 1632091828 KJBHFOYITMUWNF-RTBURBONSA-N 404.536 1.193 30 10 HDEE COC(=O)N1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1632161476 CMKBOMFYFBPYJE-ZIAGYGMSSA-N 404.854 1.912 30 10 HDEE C=CCn1cc(C(=O)NCCCCCN2CCN(C(=O)OC(C)(C)C)CC2)nn1 1634119287 ODZFKKHXEHWIMP-UHFFFAOYSA-N 406.531 1.917 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)n1 1634600782 AFJMAPCFRSCUFY-OAHLLOKOSA-N 400.401 1.292 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCn1cc(Br)ccc1=O 1635728484 PKINTZOFZXOBHZ-INIZCTEOSA-N 419.279 1.857 30 10 HDEE COC(=O)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccc(O)cc1 1638142757 SDIMZJIINQLHDV-INIZCTEOSA-N 406.391 1.473 30 10 HDEE C=CCn1c(SCC2CN(S(C)(=O)=O)C2)nnc1[C@@H]1COc2ccccc2O1 1643490626 DGNOUZMDRLVYIM-INIZCTEOSA-N 422.532 1.960 30 10 HDEE Cc1ccc(C(=O)N[C@H](c2ccccc2F)[C@@H](C)O)cc1S(=O)(=O)NCC#N 1644393374 ZECCXVWRQGRNGX-ACJLOTCBSA-N 405.451 1.788 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)cc2)C1=O 1644584084 WUWKPBBNBJYRDL-AVRDEDQJSA-N 424.432 1.656 30 10 HDEE N#Cc1cn(CCNC(=O)CCCc2ccccc2Br)c(=O)nc1O 1646146988 FHQUBXSNCVMYQR-UHFFFAOYSA-N 405.252 1.722 30 10 HDEE C[C@@H]1CN(C(=O)Cc2ccc(Br)cc2C#N)C[C@H]1CS(N)(=O)=O 1648011450 XOADQWOXSOCAJZ-MFKMUULPSA-N 400.298 1.246 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H]4CCS(=O)(=O)C4)C3)cc21 1648046241 QMNLZGSBBPYAEJ-GDBMZVCRSA-N 402.476 1.196 30 10 HDEE CSc1ncc(I)c(N2CCN(C(=O)CC#N)CC2)n1 1651198423 TUDUXFVNWNWENX-UHFFFAOYSA-N 403.249 1.365 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(c2nc(C)cc(O)n2)CC1 1655610769 JVCSPZQTKLWYJN-KRWDZBQOSA-N 424.505 1.957 30 10 HDEE C#CCCCS(=O)(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1657046179 FWBSDOMSZICPKX-OAHLLOKOSA-N 414.524 1.652 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 1663918641 FLEMUJHBWFMQSX-KBPBESRZSA-N 401.410 1.784 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN(c2ccc(C#N)cc2)CC1 1665585611 DKXIPOSXLSOTKK-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CO)C[C@H]2CCCO2)cc1Br 1671560826 GTGCOFKKEPBICJ-GHMZBOCLSA-N 407.261 1.668 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCC(N3CCN(C)CC3)CC2)c(C#N)cn1CC 1672918515 GKEQVZCRYXNXHC-UHFFFAOYSA-N 416.526 1.800 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)C(C)C 1675964399 PDMXDZPXHZYDKH-SIKLNZKXSA-N 422.570 1.344 30 10 HDEE COCCNC(=O)CN1CCN(C(=O)N[C@H](CCCC#N)c2ccccc2)CC1 1682718221 QFULWUIMJSZBOF-LJQANCHMSA-N 401.511 1.511 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCC1(S(=O)(=O)NC(C)(C)C)CC1 1683734575 WKIXFNOMYAVLLA-INIZCTEOSA-N 408.524 1.484 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1689824090 HUSRDCPFAZNDTG-CQSZACIVSA-N 422.493 1.736 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](C(F)F)N1CCOCC1 1689847428 ZKPYEAWOJZMCAU-HOCLYGCPSA-N 407.469 1.493 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCCOC)[C@@H]1CCS(=O)(=O)C1 1689985861 CZWBCDLARKGTIY-MRXNPFEDSA-N 405.524 1.337 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)(C)C 1690000274 XQEYHILWAGLRHY-UHFFFAOYSA-N 407.478 1.161 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C[S@@](C)=O)cc1 1690056339 OMRPCEZOTWGMRY-GDLZYMKVSA-N 413.547 1.900 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1690069749 WGYXRYMGCAWSLW-QGZVFWFLSA-N 411.506 1.908 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@@H]1C 1690096179 NPEWJJVXNVOSFV-QRWLVFNGSA-N 415.450 1.479 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)NC)C1 1690688697 ZJKFZVKERQEJAL-OXQOHEQNSA-N 407.515 1.236 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2nncn2C)C1 1690710600 USIQYKRZJPMZIW-HNNXBMFYSA-N 400.512 1.592 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C)C1 1690746925 NWRSGPLIJPGPRS-HUUCEWRRSA-N 415.585 1.376 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1691363553 BXRSWFFUFFFGPU-JOCHJYFZSA-N 410.522 1.889 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC4CC4)n3C[C@H](C)N(C)C)CC2)c1C#N 1693405706 DMKJJCHZBCHXKB-HNNXBMFYSA-N 411.558 1.421 30 10 HDEE CCc1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(OCC(=O)N(C)C)c1 1694680176 ALCWYMSWVOPLTK-HXUWFJFHSA-N 400.458 1.798 30 10 HDEE COCCN(C)CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1698032445 CMOQBNFULKKJCT-QGZVFWFLSA-N 402.474 1.315 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(C#N)CC1 1698443446 MEGYGXUIGZTWQF-OWCLPIDISA-N 407.540 1.735 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN(C)C1CCCC1)[C@H]1CCS(=O)(=O)C1 1705559891 GOTDBPYPBPVFOP-SFHVURJKSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC(=O)NCCc1ccccc1 1705579928 YUYNIXBISRUSHB-UHFFFAOYSA-N 401.474 1.110 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCN1CCCS1(=O)=O 1705586352 GAVVJIYQMANQKF-UHFFFAOYSA-N 403.533 1.039 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCc2ccccc2C1 1705627714 OBNCDPHAAVMSFB-FQEVSTJZSA-N 422.533 1.374 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)O[C@H](C)C1 1705834776 RXARSDRXSTTWBA-OAGGEKHMSA-N 414.576 1.010 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C 1705902563 HGSFSCVAMJDOOQ-QGZVFWFLSA-N 417.535 1.427 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(C)(c2nc(C)no2)CC1 1705909543 ZWSUWESGBIJBLC-OAHLLOKOSA-N 415.498 1.681 30 10 HDEE CN(C)C(=O)CN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1 1710989400 KMHYNVYXAPTWAG-UHFFFAOYSA-N 422.493 1.007 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2OCCC2(C)C)CCO1 1711360268 FGWHHTXGXGSGIZ-ROUUACIJSA-N 424.505 1.583 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCOC3)n1CCOCC(F)F)C2 1712879146 RJDVKLGLEGSNPX-GFCCVEGCSA-N 420.420 1.599 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCOCCCO)cc1 1712881126 MTWUPPKFLIYLGM-NRFANRHFSA-N 413.478 1.211 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1722299571 IXNBZMYXNPXLJO-CVEARBPZSA-N 402.520 1.770 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1722340637 DIFRGHQEEMJJLN-IAGOWNOFSA-N 423.583 1.692 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@]1(C)CCCO1)[C@@H]1CCS(=O)(=O)C1 1722363267 ZTRNIOGHTGQNQP-BEFAXECRSA-N 403.508 1.469 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCN1CCC 1722390782 UXCLBBLYTSINSV-MSOLQXFVSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(Cl)c2)n1CC1(O)CCS(=O)(=O)CC1 1722407149 ZUGGSLDNROLOIV-UHFFFAOYSA-N 422.938 1.998 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722410201 VVDUDKLSAQGBTP-WMZOPIPTSA-N 416.551 1.937 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1722523125 BNUQNLFQGPCQIW-KRWDZBQOSA-N 421.567 1.595 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(OC)C1 1722529461 TZJKNYCWXNQMAO-QAPCUYQASA-N 415.560 1.486 30 10 HDEE C=C(C)COCCn1c(N2CCN(C)C(=O)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1722538823 XMJFSIGSRLJWAC-DYESRHJHSA-N 421.542 1.578 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCNS(C)(=O)=O)CC1 1722568405 KUYCEQIZZNFAER-UHFFFAOYSA-N 407.544 1.235 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1722608638 IYBFAEBSIBNTAP-GDBMZVCRSA-N 412.560 1.207 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCCN(C(C)=O)CC1 1722620869 SOASMBASRHHCMI-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NCCC 1722656869 KRYZXQOSVDCHCW-SFHVURJKSA-N 421.505 1.820 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CCS(=O)CC1 1722703734 GDQOUZXNJNAMHW-UHFFFAOYSA-N 419.576 1.750 30 10 HDEE CC(C)CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723410551 GHTOFWKWSKFFJV-GOSISDBHSA-N 417.558 1.656 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC[C@H]2C)cs1 1725415229 SRZLPTJTTSLJMR-PBHICJAKSA-N 417.539 1.083 30 10 HDEE COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)ccc1C 1729975563 GKWNOKKJHRYAQW-QGZVFWFLSA-N 412.494 1.705 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCS(C)(=O)=O 1730267145 AUMXPAUIQYDZQM-GOSISDBHSA-N 407.471 1.830 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1740558116 SRMLGUSGNOXJQF-WBVHZDCISA-N 410.478 1.612 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ncnn1-c1ccccc1 1740615411 DFOXWGMBOQWADF-LPHOPBHVSA-N 407.478 1.701 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@@H]1CCC=CO1)[C@@H]1CCS(=O)(=O)C1 1740622038 SPUALZJVKMHHTC-SJORKVTESA-N 415.519 1.603 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC1(COC)CCC1)[C@H]1CCS(=O)(=O)C1 1740622793 IRCKSXUMBIDGNM-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1740626432 UQWQCMQQWGIVCJ-CQSZACIVSA-N 413.425 1.453 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)C(C)C 1740665767 OZMOFAGZFGCYQF-UHFFFAOYSA-N 407.482 1.153 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1740670197 NGCHFNDDXIHJSG-RTBURBONSA-N 416.570 1.922 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)N(CC)CC 1740671414 GVUVFYZLSNZJLN-INIZCTEOSA-N 409.556 1.288 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H](C)CN1CCOCC1 1740683025 QWQUXLPSAZGKRU-SFHVURJKSA-N 400.527 1.338 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCCNC(=O)c1cccc(O)c1 1740889728 JRHZGIPJRXCOLA-UHFFFAOYSA-N 412.494 1.662 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCN2CCCC[C@H]2C1 1740950848 JXDVVFWJQFIFQW-KRWDZBQOSA-N 417.558 1.173 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1740980993 NJJTYWZQZLWLPU-IXDOHACOSA-N 410.540 1.388 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCNC(=O)C1CCC1 1744698336 RYKCNDXXRFAOJF-UHFFFAOYSA-N 422.537 1.740 30 10 HDEE CN(C)C(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(C#N)C1 1747536976 JAJGPECFRXYQIE-FQEVSTJZSA-N 413.482 1.614 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCN1CCN(C(C)=O)CC1 1748677866 LYQSOINQSSHPFK-KRWDZBQOSA-N 412.513 1.630 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748678453 TXPZICJKNNCPIG-WBVHZDCISA-N 422.455 1.985 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1748772472 WIIIIIPPSHFQPG-DENIHFKCSA-N 418.586 1.414 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCOC[C@H]1C 1748956815 KHMZTLIKGJCXOL-GOSISDBHSA-N 413.522 1.760 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1748989847 QWXWULXFSIPXIW-FQEVSTJZSA-N 402.587 1.589 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC(C)(C)C2)CC1 1748993273 SVXPIMCMEMLABZ-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CCC(OCC(N)=O)CC1 1749031707 GVIAUWONAMDWAZ-UHFFFAOYSA-N 400.508 1.177 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749190012 ZNVPGQRYSZEIGC-KRWDZBQOSA-N 416.526 1.367 30 10 HDEE C=C(C)COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)C1 1749226427 PXZSQMODJIYMIL-UHFFFAOYSA-N 423.477 1.465 30 10 HDEE C=CCCCCn1c(C2CC2)nnc1N1CCN(C(=O)C(=O)N2CCOCC2)CC1 1749398853 UKJUDANTMYIKCE-UHFFFAOYSA-N 416.526 1.019 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1749450994 ZZLFXJWIBYWEJI-CQSZACIVSA-N 417.432 1.874 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1749461917 LMZLQLFRQAIQBJ-CQSZACIVSA-N 404.496 1.515 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cc(C)on1 1749650104 JQWRJWLBEASCQS-UHFFFAOYSA-N 410.438 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C)CC1 1749732146 QRUDTXDFIFHIJH-UHFFFAOYSA-N 417.539 1.181 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCNC(=O)c2ccco2)C1 1750377846 ARGFMYKUPDTOJV-FQEVSTJZSA-N 409.425 1.729 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)C1CCCC1 1757797516 RQWAKCWQMFNZGF-GJNTUIEKSA-N 403.523 1.522 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnnn1CC1CC1 1760167872 GAISTYDOTWRPTR-UHFFFAOYSA-N 408.466 1.477 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2cccc(O)c2)CC1 1760252818 WUWBYKZKGUXPOL-UHFFFAOYSA-N 410.522 1.706 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2Cc2nncn2CC)CC1 1760262297 LBKAMZONUHSPPR-UHFFFAOYSA-N 420.521 1.292 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CC(=O)N(C)CC)CC1 1760269538 KUSIYHURLSOMSG-UHFFFAOYSA-N 400.527 1.380 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCC2)CC1 1760360127 RQFGMEIXWUJUPD-UHFFFAOYSA-N 402.543 1.668 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccsc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1760404916 NURXXQDVEVPPCB-LJQANCHMSA-N 422.576 1.882 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1760521094 JITLOKQYYHDURQ-ZDUSSCGKSA-N 400.487 1.032 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3F)n2CC(=O)N2CCOCC2)C1 1760540569 KYIRQDVVQZPQSL-INIZCTEOSA-N 415.469 1.724 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccn2C)nnc1N1CC[C@@](F)(C#N)C1 1766715494 PUBYDPZAAASPHE-QGZVFWFLSA-N 409.491 1.055 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCc2nc(C)no2)CCOC1 1767385190 HPMSGBWFQZRTSW-AUUYWEPGSA-N 403.487 1.850 30 10 HDEE COC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1767952106 MFTDLBIJNDZCQE-AWEZNQCLSA-N 400.439 1.573 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1ccc(-n2cccn2)cc1 1767959346 GGFGNWZABCKOMC-LJQANCHMSA-N 407.478 1.972 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCS1(=O)=O 1768835169 RWWQZFMSYVNBAR-UHFFFAOYSA-N 424.477 1.944 30 10 HDEE COCc1nocc1Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1770876510 ACBMBCVSSIECCV-LJQANCHMSA-N 414.445 1.764 30 10 HDEE COCCN1C(=O)COC[C@@H]2CN(C(=O)c3cc(CC#N)ccc3Cl)CC[C@H]21 1848944307 WXOJCLOLZUGWMC-MAUKXSAKSA-N 405.882 1.742 30 10 HDEE Cn1c(=O)ccn(CC2CCN(C(=O)c3cc(CC#N)ccc3Cl)CC2)c1=O 1849498349 CKPNRFOOQSGYSK-UHFFFAOYSA-N 400.866 1.819 30 10 HDEE COc1ccc(N2C[C@H](NC(=O)c3cnc4c(C#N)c(C)nn4c3C)CC2=O)cc1 1852010761 XKGLDGWWQSJVLG-CQSZACIVSA-N 404.430 1.762 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1853687336 LGYMFMXVSSZNSQ-HNNXBMFYSA-N 416.913 1.567 30 10 HDEE N#CCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@@H]43)ccc21 1853966454 GTJODCLBDMNYDZ-ZWKOTPCHSA-N 417.487 1.738 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccc(OC)cc2)C1=O 1854131637 OMDFJHOMNQAFMQ-UXHICEINSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1=O 1854179833 YMSCBQDDSNAYGV-LSDHHAIUSA-N 414.487 1.863 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1854497110 KYCJBPKVVDAKQH-HNNXBMFYSA-N 422.551 1.086 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCCC[C@@H](N3CCN(C)CC34CCC4)C2=O)CC1=O 1854825595 HGZYNLVMZBRWQG-ZWKOTPCHSA-N 402.539 1.099 30 10 HDEE Cc1cc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)n(C(C)C)n1 1854985095 JOYUHKINJDYACN-ROUUACIJSA-N 400.527 1.823 30 10 HDEE C=CCC[C@@H](C)C(=O)N1C[C@H](CN2CCCN(CC(=O)N(C)C)CC2)CCC1=O 1855127382 VVJJPFBYMMJHLS-MOPGFXCFSA-N 406.571 1.450 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(c4ccnnc4)CC3)CCC2=O)cc1 1855175737 YGOFVHGMBMWKAW-SFHVURJKSA-N 404.474 1.549 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCCCN(C(=O)Cn2nnc3ccccc3c2=O)C1=O 1855832008 IFNVCESSHVMRIA-QFBILLFUSA-N 409.490 1.740 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1CCC#N 1856197864 AFSLOWHZHKVCGM-AEFFLSMTSA-N 418.519 1.203 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccnn1C 1857020644 JLSCTICUGSTIAU-OAHLLOKOSA-N 414.487 1.879 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)n(C(C)C)n1 1857102427 WYXBTLOEIZYQEJ-KRWDZBQOSA-N 408.462 1.543 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2onc3c2CCCC3)C1)[C@H]1CCN(C)C1=O 1857228257 OBTTYPKBMXSTCH-YOEHRIQHSA-N 400.479 1.261 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)COc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857236314 DEZSNJCZHQPIGT-APWZRJJASA-N 415.490 1.168 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)C3CC4(COC4)C3)C2)CC1 1857244707 STSYXZJWWXTBSL-INIZCTEOSA-N 408.502 1.934 30 10 HDEE COc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1C 1857368871 NQEUBAAGDDVYCK-UHFFFAOYSA-N 419.503 1.898 30 10 HDEE C=CCCN(C)[C@@H]1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C1=O 1857482830 DFQIXFYIUMSTQH-QGZVFWFLSA-N 403.454 1.298 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860959384 DFBOLPGNJDWYAT-KDOFPFPSSA-N 406.442 1.813 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)C1CCN(Cc2cccc(F)c2)CC1 1861183787 GRYSTZILXJCOEJ-SFHVURJKSA-N 404.486 1.090 30 10 HDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN(CC)CCO)cc1=O 1870559459 BTARTXHHBYLVNP-UHFFFAOYSA-N 414.502 1.934 30 10 HDEE C=CCN=c1nc(N2C[C@H](C)O[C@@H](C)C2)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871622141 BQJVMMLTUUTTRO-GJZGRUSLSA-N 411.510 1.937 30 10 HDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc3c[nH]nc3c2)[nH]1 1871701180 CNXUGMAVIHFVIT-UHFFFAOYSA-N 416.493 1.891 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1/N=C/c1ccccn1 1874434313 YWZFUWMRSPMRTM-SSDVNMTOSA-N 415.523 1.732 30 10 HDEE C#C[C@@H](COc1ncnc(I)c1N)NC(=O)OC(C)(C)C 1886353044 MMHJFIKTFIYNOH-QMMMGPOBSA-N 404.208 1.569 30 10 HDEE CN(CC1CCN(C(=O)[C@H]2CCCCN2S(C)(=O)=O)CC1)c1ncccc1C#N 1890973309 WIXOXNSLVVHRLA-GOSISDBHSA-N 419.551 1.442 30 10 HDEE COc1ccc(S(C)(=O)=O)cc1C(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1891424863 HARBUABNOZUBMC-CYBMUJFWSA-N 416.459 1.444 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)c1 1985095429 DLRRWKOONSLCLC-OAHLLOKOSA-N 406.288 1.810 30 10 HDEE C#CCn1ncc(NC2(CO)CN(C(=O)OC(C)(C)C)C2)c(Br)c1=O 2043997421 JLOZGXSOVYDHNB-UHFFFAOYSA-N 413.272 1.033 30 10 HDEE CN([C@@H]1CC[C@@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC[C@H](C#N)C1 2054403305 NNZUYOCIHMVRME-FGTMMUONSA-N 406.508 1.856 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)ONC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180136726 DBEOUFCIBRECSX-GJZGRUSLSA-N 402.513 1.506 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@H](NC(=O)OC(C)(C)C)CC[C@H]1C(=O)O 2188791226 PRNIFNQNZZVEQH-MCIONIFRSA-N 403.501 1.554 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCO[C@]2(C#N)C1 2229464328 OMCATASHQAZTHY-JLTOFOAXSA-N 417.487 1.253 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(O)CCCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)C1 2243392146 FWJWCEOUGBSUKT-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCNC(=O)OC(C)(C)C 2243405247 BXWODYMSUSTPGM-UHFFFAOYSA-N 407.320 1.969 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247823570 PSKFUFDGENGWJN-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(N)=O)C(=O)N[C@@H]1CCC=C1B1OC(C)(C)C(C)(C)O1 2248405968 XTPHYRYWRDNWDR-ZIAGYGMSSA-N 423.319 1.592 30 10 HDEE N#C[C@@H]1CCCC[C@H]1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258169397 ICXSMBZMNIISGM-XHSDSOJGSA-N 409.464 1.368 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C1CCCC1 2258174313 XPULIPNIGLAZDM-DLBZAZTESA-N 408.476 1.477 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC2(C1)OCCO2 2267365897 XEQUXYIVFJGVGO-UHFFFAOYSA-N 409.313 1.432 30 10 HDEE Cc1sc(C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281959409 ZKRMIVFPRQHSEC-PWSUYJOCSA-N 401.359 1.907 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282180648 VVOBWWGFLLJVOM-DZGCQCFKSA-N 403.288 1.389 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(C)CCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282300432 GDKJPMDXQSLNON-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)C1CNC1 2282424438 BXIRNOGXFZFYET-RUZDIDTESA-N 420.387 1.114 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282633558 ZYPRALSZKFFGJY-LBPRGKRZSA-N 401.359 1.943 30 10 HDEE C[C@@H]1CCOC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282827768 CYVWCFKQEQGISI-TZMCWYRMSA-N 401.359 1.892 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)[C@@H]1C[C@@H]1C 2282829526 GCMVMYYOOLZLFR-WCQYABFASA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@@H]4[C@@H](O)C[C@@H]43)cc2Cl)OC1(C)C 2282830256 QZQRCHIVPFOPQH-DLOVCJGASA-N 419.761 1.845 30 10 HDEE Cc1nnc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)s1 2282830889 BGYFPJJBGFMXHL-UHFFFAOYSA-N 415.371 1.994 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCOC2CC2)OC1(C)C 2282845254 PROMTPHNUXVWQG-UHFFFAOYSA-N 402.347 1.431 30 10 HDEE C[C@@H]1CN(C)CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848509 OFJLAEFMABADCK-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H](O)C(F)(F)F 2282850803 TURLJBBQMVNYCP-KWQFWETISA-N 415.264 1.637 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)CO 2282851270 ZQYVGOLXRVQFJN-SJCJKPOMSA-N 401.359 1.686 30 10 HDEE CC1(C)[C@@H](CN)C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852918 WEILXVPBDVRPAK-NEPJUHHUSA-N 400.375 1.699 30 10 HDEE CC(C)[C@H](C)[C@@H](N)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856662 WJHYJYISAOBMKK-JSGCOSHPSA-N 402.391 1.945 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282864466 GKBMYPNLNWGFSS-VWLOTQADSA-N 403.331 1.419 30 10 HDEE CC1(C)CN[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282876671 HFDIROSILSXLTL-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283111969 QHKYRFXTCPFLLE-NSHDSACASA-N 401.721 1.802 30 10 HDEE CO[C@@H](C)[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284389696 OOKVRGOVLWGULC-GZMMTYOYSA-N 403.693 1.919 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NOCCC(=O)O)c(Cl)c2)OC1(C)C 2284406663 AVYVKZSAEUCURE-UHFFFAOYSA-N 405.665 1.324 30 10 HDEE C=C(CS(=O)(=O)N1[C@H](C2CC2)SC[C@H]1C(=O)O)B1OC(C)(C)C(C)(C)O1 2284416066 TWQGFLSLABEVRO-STQMWFEESA-N 403.331 1.742 30 10 HDEE CO[C@H](CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284447672 PCXVDIHWXRDMFY-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE N#Cc1cc2c(n(C[C@@H](O)CCCN3C(=O)c4ccccc4C3=O)c1=O)CCOC2 2294829451 YCJARHVFKORKFS-INIZCTEOSA-N 407.426 1.230 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)CO2)C1 2300199382 XEWKUXPLLJRCIY-OAHLLOKOSA-N 420.315 1.906 30 10 HDEE C=CC[C@H](N)[C@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314268120 VHDUTBKDFRFDML-DLBZAZTESA-N 405.520 1.616 30 10 HDEE COC[C@@H](C)S(=O)(=O)N1CCc2scc(B3OC(C)(C)C(C)(C)O3)c2C1 2361581525 LUCRPLQSJQXITE-GFCCVEGCSA-N 401.359 1.770 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1COC[C@H]1NC(=O)OC(C)(C)C 2365199951 UBBPGAVIEFQWKK-BZUAXINKSA-N 402.557 1.721 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2365202757 PJJFOAMIQZMMFU-CUYVQJCZSA-N 400.541 1.473 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365212783 RIXADPTXRWRWFV-VCBZYWHSSA-N 402.557 1.538 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1OC 2367783476 HXVQOLXUWGVZQW-OAGGEKHMSA-N 400.541 1.427 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@H]1CC[C@@H](C)O1 2367791797 ZVJODGXXOCFTSG-FPCVCCKLSA-N 400.541 1.616 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OC 2367800881 NEVYUNFDWOKDBF-BZUAXINKSA-N 402.557 1.863 30 10 HDEE CC[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367813195 AOSBNUSZJPOARD-DOXZYTNZSA-N 400.541 1.435 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367813214 AYARCIIFPSNWAG-DNVCBOLYSA-N 400.541 1.437 30 10 HDEE CC1(C)OB(c2csc(CN3CC[C@H](S(=O)(=O)C(F)F)C3)n2)OC1(C)C 2368850833 ILCRVAIUTKDVMN-JTQLQIEISA-N 408.301 1.654 30 10 HDEE C[C@H](OC(=O)Cn1cnc2c(cnn2C)c1=O)C(=O)Nc1ccc(C#N)c(Cl)c1 12057842 NTTCCAPAUQRCPU-JTQLQIEISA-N 414.809 1.225 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CC1 21329145 HNQCAEXKSHZIBX-UHFFFAOYSA-N 414.506 1.586 30 10 HDEE C=CCn1c(SCC(=O)N2CCN(Cc3nnc(C)o3)CC2)nnc1C(C)C 59910925 QATIMVSTHVROCL-UHFFFAOYSA-N 405.528 1.715 30 10 HDEE C#CCN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 111046632 KXUKZNVETLPWKH-MRXNPFEDSA-N 420.922 1.646 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)CN2C(=O)c3ccccc3C2=O)CC1 238871912 NCOYCKMUWXWHAO-HDJSIYSDSA-N 405.414 1.451 30 10 HDEE COc1ccc(O)c(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 254704636 OAWXPUNEXWVNEF-UHFFFAOYSA-N 408.505 1.972 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 429385731 LOIHDGZXPCAUIS-QGZVFWFLSA-N 419.913 1.075 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccnn2[C@@H]2CCS(=O)(=O)C2)ccc1Cl 437318651 OESYTTWWNFIZIR-LLVKDONJSA-N 400.869 1.569 30 10 HDEE COCCNS(=O)(=O)c1ccc(CNC(=O)NCC2CCC(C#N)CC2)cc1 441000873 RCPKPGFWPLWVDE-UHFFFAOYSA-N 408.524 1.740 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cc(OC)ncn4)CC3)cc2C1=O 461140218 DRQJDVNXDGKJNF-UHFFFAOYSA-N 407.430 1.230 30 10 HDEE N#Cc1ccnc(C(=O)NCc2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 483286422 WSLLMPCAPSQMGL-MRXNPFEDSA-N 400.460 1.341 30 10 HDEE CN(C)CC1(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCCCC1 492238875 GUNFDBAIPIFDCV-UHFFFAOYSA-N 418.563 1.903 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)CC1 492289633 GOUVEXRKPCKLME-SJORKVTESA-N 406.324 1.999 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2cc(C#N)ccn2)CC1 495278431 QTLKOPXKVQMBOM-UHFFFAOYSA-N 413.522 1.960 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N[C@H](C#N)c3cccc(Br)c3)cnc21 496289654 HOCBBCQTFVPNEP-CYBMUJFWSA-N 401.224 1.274 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccc(C(C)(C)C)cc2)CC1 522308045 VOQNTHHBSDMQFY-UHFFFAOYSA-N 402.539 1.992 30 10 HDEE C[C@@H](C#N)CN(CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C1CC1 533597207 XSZOOBHRCODKOM-HNNXBMFYSA-N 406.508 1.270 30 10 HDEE Cc1ccc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)cc1S(C)(=O)=O 536268099 ILUKJSWTYUKKQU-ZDUSSCGKSA-N 421.500 1.576 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H](c3ccccc3)[C@@H]3CCOC3)CC2)o1 537095798 QFPMTDQJYWPLGL-NQIIRXRSSA-N 409.490 1.871 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CCN1Cc1ccccc1 542451437 BYBQIVPNAUJVGG-RTWAWAEBSA-N 418.501 1.997 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@@H](C(C)C)C1 549691523 IOVBTIZQYSIXES-CVEARBPZSA-N 413.544 1.048 30 10 HDEE N#Cc1ncn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1 552679129 QHZJDTASNXCEIZ-UHFFFAOYSA-N 422.898 1.020 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3c(F)cccc3F)C2)cc1 564380913 PMVZSYZEMMHKGP-CQSZACIVSA-N 420.441 1.510 30 10 HDEE C=CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCCN(CCOC)C(=O)C1 574368921 ZDPOQXLDIZWONW-UHFFFAOYSA-N 423.315 1.907 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)c(OC)c2)cc1 582212439 IYOWRINGKCFTSI-UHFFFAOYSA-N 417.487 1.950 30 10 HDEE Cc1cc(C)n(-c2cc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)ncn2)n1 585477250 VYLUNIZEFYNZEX-UHFFFAOYSA-N 423.502 1.662 30 10 HDEE N#Cc1cc2c(nc1N1CCN(CCOc3ccc(C4CC4)nn3)CC1)CCOC2 585498548 BXASOSZYMKHGTR-UHFFFAOYSA-N 406.490 1.894 30 10 HDEE N#Cc1ccc(NC[C@@H]2CCCCN2c2ccc(=O)n([C@H]3CCCC[C@H]3O)n2)nc1 585613037 WQRHPROEZBVXLQ-GBESFXJTSA-N 408.506 2.457 30 10 HDEE Cc1nc([C@H]2COCCN2C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)no1 588290297 AGBBFVAUBZXPOW-IAQYHMDHSA-N 405.436 1.669 30 10 HDEE COc1ccc(-c2noc(CN3CCN(C(=O)c4ccc(C#N)nc4)CC3)n2)cc1 609658929 JVQSDWSXBWBVCU-UHFFFAOYSA-N 404.430 1.970 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(CC(=O)N2CCOC[C@@H]2C2CC2)CC1 611224868 LSNDBHQPSPIRRK-OAQYLSRUSA-N 405.502 1.866 30 10 HDEE COc1ccc(C(=O)N2CC[C@](F)(C#N)C2)cc1S(=O)(=O)NCc1ccccn1 615609456 USLCCDQEDGLGFZ-IBGZPJMESA-N 418.450 1.646 30 10 HDEE CC(C)(C)CC(=O)N1CCN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)CC1 725766225 JTLQGTFDDUUGIC-JOCHJYFZSA-N 411.506 1.863 30 10 HDEE CCc1ccc(-n2c(=C(C#N)C(=O)NCCOC)sc(=Cc3ccoc3)c2=O)cc1 727416069 GBFCCFZFJRPOKY-UHFFFAOYSA-N 423.494 1.320 30 10 HDEE C#CCN(CC(=O)NCCOc1ccc(C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 731213878 YFTJKELRUKSVCL-OAHLLOKOSA-N 418.437 1.323 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 732152711 GXQSPGWWSPDEMM-NCJSADBTSA-N 414.462 1.895 30 10 HDEE CC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 732402973 XWDLARXOEOMXFE-OAHLLOKOSA-N 422.441 1.982 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3cc(C)ccc3C)c2=O)cn1 735068428 AWROJMMHZRFORW-UHFFFAOYSA-N 421.526 1.371 30 10 HDEE CCN1CC[C@H](N(C)C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)[C@H](C)C1 742706261 TWETUOOFSHTYQB-VYDXJSESSA-N 406.552 1.692 30 10 HDEE C[C@H](CC(=O)NS(=O)(=O)Cc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 744014510 QTKRTKUBTKKVQG-CYBMUJFWSA-N 421.500 1.150 30 10 HDEE C[C@H](Cn1cncn1)NC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 749212142 FUVSDSKYROWANI-GHOZOMOVSA-N 405.484 1.301 30 10 HDEE COCc1ccccc1S(=O)(=O)NC(=O)CCc1c(C)nc(O)c(C#N)c1C 779310156 MRBTXRJKEXZFHA-UHFFFAOYSA-N 403.460 1.860 30 10 HDEE C[C@@H](OC(=O)c1c(N)cccc1I)C(=O)N(C)CCC#N 780279904 BFJDGMXTHZFXIE-SECBINFHSA-N 401.204 1.791 30 10 HDEE C#CCOCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1F 784118158 MRTCJXMKUDLQDG-QGZVFWFLSA-N 420.510 1.475 30 10 HDEE C#CCOCCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 784598682 QYSUJDHKWKJBDN-HNNXBMFYSA-N 415.309 1.368 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2c(C)c3c(C)nn(C)c3[nH]c2=O)n1 790105655 URSBTUDYQJBNSZ-UHFFFAOYSA-N 424.505 1.316 30 10 HDEE CC1(C)C[C@@]2(NC(=O)N(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)C(C)(C)O1 793588793 DQQUYKQKKQVMRC-VFNWGFHPSA-N 413.478 1.632 30 10 HDEE COc1ccc(OC)c([C@H]2CCCN2C(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)c1 798740823 CNEHEPSDRSGSIX-CZUORRHYSA-N 413.434 1.635 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3c(c2)nc(C(F)F)n3C)CC1 798956124 IEYQRSLWFOKVPB-UHFFFAOYSA-N 403.433 1.408 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCN(c2ccccc2F)CC1)c1cc[nH]n1 804720545 RRIVGHWXNYYBIM-UHFFFAOYSA-N 417.441 1.572 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC2(CCCOC2)C1 807897038 IYKKZBNDXSBANU-UHFFFAOYSA-N 405.520 1.925 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 808226378 MAUKGYHLZHUJHV-KRWDZBQOSA-N 414.535 1.877 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)CC1 810980918 HPSWBXBWTMKDQS-SFHVURJKSA-N 413.499 1.977 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2nc(C(=O)OCC)cs2)c1 814437972 YTZWUNWBIVMEBP-UHFFFAOYSA-N 408.457 1.588 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(Cc2ccc(F)cc2)CCOCC1 815555685 FSDQEGDREUFURZ-VHEBQXMUSA-N 401.438 1.808 30 10 HDEE C=CCN(C(=O)c1nnn(Cc2ccc(OC)cc2)c1C)[C@H]1CCS(=O)(=O)C1 1125884680 WRQULOUHDXVOGN-INIZCTEOSA-N 404.492 1.459 30 10 HDEE CCOC(=O)N1CSC[C@H]1C(=O)N[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 1127753556 KNYQSGNLENVSLJ-OLZOCXBDSA-N 409.464 1.925 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1 1135645710 KEADMKVGBQACFR-CJNGLKHVSA-N 409.508 1.818 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1 1147468883 CJDITMCRONSYNQ-DVSFIDLUSA-N 418.881 1.578 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1148328808 WLRBKFUEICZFAJ-FQEVSTJZSA-N 409.552 1.338 30 10 HDEE C=CCn1cc2ccc(NC(=O)[C@@H](C)NS(=O)(=O)c3c(C)nn(C)c3C)cc2n1 1156690768 SFNOVTREYWKPTP-CYBMUJFWSA-N 416.507 1.878 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1Cl 1212123054 AZDAVIHUMRBPTO-ZDUSSCGKSA-N 420.940 1.393 30 10 HDEE Cn1c(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc2cccc(Cl)c21 1226537822 UFGKDOKRGKZTRY-GTNSWQLSSA-N 407.883 1.306 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)nn1 1230271504 GVYORLFOMUOCNF-UHFFFAOYSA-N 411.510 1.547 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O)C1CCOCC1 1253353897 CXRFHPCPVXBSSE-DLBZAZTESA-N 407.511 1.437 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NCCCc3ccc(S(N)(=O)=O)cc3)C2)cc1 1256306057 XIDPOWGIHITFSM-UHFFFAOYSA-N 414.487 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ncnn1C(C)(C)C 1286289668 MTDUXFGNSXBWSB-ZDUSSCGKSA-N 410.482 1.859 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1286371010 XLMJZBJSXDQALL-UHFFFAOYSA-N 411.491 1.103 30 10 HDEE C#CCN(CC#C)c1nnc(C(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1286398250 VMDOKJSCQVFMOC-QZTJIDSGSA-N 403.552 1.679 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@@H]1OC 1286404531 VGURRUQITVBJOV-XLIONFOSSA-N 408.458 1.798 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCc2ccccc21 1286407257 GRWSXIYVKOUNHC-IBGZPJMESA-N 402.502 1.755 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NC(C)C 1286463977 PCTIKEBHVZYUCG-UHFFFAOYSA-N 413.478 1.327 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286500373 WLFBJNLIFRDKFB-ZWKOTPCHSA-N 406.515 1.898 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](c3noc(C)n3)C2)nnc1[C@]1(OCC)CCOC1 1286598820 DZDZIWDXCDDWCR-KXBFYZLASA-N 404.471 1.776 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(OCC(N)=O)c1 1286722875 VKHIKNCEEGCRIA-UHFFFAOYSA-N 424.461 1.540 30 10 HDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)CCC 1286779946 LNEPELSJEAQYRZ-UHFFFAOYSA-N 419.555 1.695 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1286790358 QLVAYAFOVLWNJZ-GVDBMIGSSA-N 401.536 1.951 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1286795581 JTADBFBWVQZAQX-UHFFFAOYSA-N 410.522 1.600 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)N(C)C)CCOC1 1288301059 JFIGYEHCLCZKDX-HXUWFJFHSA-N 404.515 1.537 30 10 HDEE CC(C)Cn1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2c1=O 1289201926 UJPMJJLEHIFGQU-XOBRGWDASA-N 414.487 1.063 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(S(=O)(=O)CC2CC2)cc1 1293033079 SRWQUDCJDZUOLC-ZPHPHTNESA-N 403.460 1.127 30 10 HDEE CN(C)[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1)C1CC1 1298037369 HIEVZZSECCHRJH-PMACEKPBSA-N 421.505 1.798 30 10 HDEE Cn1ccnc1[C@@H]1N(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 1298181400 FOPJPANYQHTOBG-KRWDZBQOSA-N 415.519 1.849 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1c[nH]cc1-c1cc(Br)c2c(c1)OCCO2 1298424140 DVQCCLWZDJKBSV-ZDUSSCGKSA-N 422.235 1.935 30 10 HDEE C#CC[C@H](NC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1)C(=O)OC 1299177588 BZIIUZZZMCGJHF-TWMKSMIVSA-N 408.495 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@](C(=O)NC)(C(F)(F)F)C2)cc1 1300235875 XBPYLYBDZOHDEI-MRXNPFEDSA-N 419.425 1.292 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1300271100 GVFWQEJHJMVTJV-IXDOHACOSA-N 410.588 1.468 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1300353758 ZQMMVWOAAQQISG-UHFFFAOYSA-N 416.503 1.755 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300409941 LGHXZNIBAZZESG-QZTJIDSGSA-N 400.527 1.778 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ccc(C(N)=O)nc1 1300438256 JGAQJZBJZDHTDA-UHFFFAOYSA-N 414.267 1.647 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1300459200 ZDOFTEFSSTVPJS-JKSUJKDBSA-N 414.535 1.434 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCOC1 1300657591 OBOVZSNLYWRGDG-QGZVFWFLSA-N 424.299 1.273 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](CC)NC(=O)OC(C)(C)C)CC1 1300716849 SSSDBROFGNNMFC-KRWDZBQOSA-N 418.542 1.856 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)C)CC2)nnc1[C@@]1(OCC)CCOC1 1300778168 OHAOZKIBTYJPHJ-HXUWFJFHSA-N 407.584 1.827 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCS(C)(=O)=O)CC1 1301074825 MLQNMJXNTFDABJ-UHFFFAOYSA-N 404.492 1.917 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H](CNC(C)=O)C1 1301245008 CRMVSXDVAHJLJH-QGZVFWFLSA-N 403.483 1.781 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1301297198 NGLNVEQORNTPIC-CYBMUJFWSA-N 404.521 1.855 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)OC)CC1 1301492183 ZOCYXEIVSZOXDP-UHFFFAOYSA-N 418.885 1.789 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)CC(F)(F)F 1301509020 ZJSPZHHXYRFVLL-UHFFFAOYSA-N 407.400 1.817 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC1CC(F)(F)C1 1301587085 XIXJTXGGGGTNET-ZDUSSCGKSA-N 417.482 1.312 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1[C@H]1C[C@@H]1C 1303844258 PTEDDJZBOJIUFW-PGUXBMHVSA-N 417.495 1.004 30 10 HDEE C#CCC1(NC(=O)NCc2ccccc2OCCN2CCOCC2)CCOCC1 1311729258 YUCIFVULJMLCHX-UHFFFAOYSA-N 401.507 1.769 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1313360330 CVJQQYDKWADZIY-CVEARBPZSA-N 400.483 1.297 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCN2CCCC2)C1 1316527496 MDDDCCCPIMMLOE-JXFKEZNVSA-N 403.506 1.937 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCCOC(F)F)cc1 1316533260 JLSCRSWYZFZCSX-IYBDPMFKSA-N 421.404 1.920 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@@H]1C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1329697294 GDSVFYBUCRDNHO-ZWNOBZJWSA-N 405.398 1.293 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(C(=O)N2CCCC2)cc1 1338908698 HLJRAJWLMKTIHY-VHEBQXMUSA-N 411.462 1.248 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 1354340874 XWKZFYZPWZFENB-WBVHZDCISA-N 410.492 1.636 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1CN1CC[C@@H](O)C1 1358952764 XCQAVLBDRJWWKZ-HXUWFJFHSA-N 422.533 1.085 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NC(=O)C2CC2)CC1 1359208162 GZOUEICVFLCHLN-AWEZNQCLSA-N 424.571 1.350 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)CCOc1ccccc1F 1359298189 QKVWOENTCMYTBC-UHFFFAOYSA-N 413.457 1.635 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1359311648 FSYANHUSQMERIB-QFPXGYFVSA-N 400.483 1.709 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(O)CCN(C)C2)C1 1359322948 FMZVUYNIORKAFK-AVRDEDQJSA-N 415.513 1.856 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@]2(C)c2cccc(Br)c2)CC1 1449060100 JVXXQWXONKGHGG-YLJYHZDGSA-N 418.335 1.620 30 10 HDEE CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H](O)C(F)F 1457864780 WMGCDAGUELHVEI-HOTGVXAUSA-N 415.462 1.480 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2cc(C)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 1458554611 FGDVBLRRSJFLOP-UHFFFAOYSA-N 406.386 1.512 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(Cc2ccc(Cl)cc2C#N)c1=O 1459210632 MEWHMSRJSPUUBJ-UHFFFAOYSA-N 400.822 1.797 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCO[C@H](c2ccc(C#N)cc2)C1 1460859116 LXAHVERNLJAQTN-WAKXPGHKSA-N 401.488 1.911 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCOCC1 1461710894 KHGKNIRTTAMHNS-RTBURBONSA-N 414.502 1.639 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H]1CCCN(CC(F)(F)F)C1)c1cc[nH]n1 1468463150 HHWPUSISUXCYIB-GFCCVEGCSA-N 419.404 1.084 30 10 HDEE COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(C#N)c2Br)CC1=O 1468670516 NXGYOAVPLREHGP-AWEZNQCLSA-N 423.311 1.230 30 10 HDEE C[C@@H]1[C@H](CO)CCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1468929953 ZYXXAVDXJUAALG-CVEARBPZSA-N 407.536 1.905 30 10 HDEE Cc1ccccc1-c1nc(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)no1 1470248448 FCXATAUQSWJRNE-SCLBCKFNSA-N 401.448 1.125 30 10 HDEE C#C[C@@H](NC(=O)c1cc(S(=O)(=O)NC)ccc1Br)C1CCOCC1 1470312072 NVRUWYSLJWRYMR-OAHLLOKOSA-N 415.309 1.515 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1475854215 XRSIDMOZZIVTMJ-MRXNPFEDSA-N 407.492 1.736 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)C1 1478621807 BJRUXRYXVRWVEC-WZONZLPQSA-N 423.517 1.808 30 10 HDEE C[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1493950107 IKXOTTMQOWQTJR-NZKCYVOASA-N 400.483 1.892 30 10 HDEE CCO[C@]1(c2nnc(N3CCNC(=O)[C@@H]3CC)n2Cc2ccc(C#N)o2)CCOC1 1502729163 LRGPCJVQGXGQBT-OXJNMPFZSA-N 414.466 1.158 30 10 HDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1)C1CC1 1503970274 FRDJWCJWQXTYTQ-WOJBJXKFSA-N 424.505 1.583 30 10 HDEE CO[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@H]1OC 1505114133 NHGJKIIRWIAZGR-IYBDPMFKSA-N 423.433 1.288 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](COC)OC 1507528945 PPHWQSWLNZBREZ-LSDHHAIUSA-N 420.539 1.358 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)c2ccccc2)CC1 1507725790 AOIGMBOHHWHRQL-LJQANCHMSA-N 406.534 1.959 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2)CC1 1507756532 ZTTXWTUAQHFTPY-SFHVURJKSA-N 410.547 1.922 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C(C)=O)CC1 1507960432 SQNIILNKHGJIQB-UHFFFAOYSA-N 413.478 1.935 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1507967584 HWRIISKNZKSAKE-CYBMUJFWSA-N 407.496 1.330 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(C)=O)C1 1508041219 JLEPHYSCWPONIO-SJORKVTESA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1508089210 IZPIMZRNYOKGTP-MJGOQNOKSA-N 416.570 1.785 30 10 HDEE C[C@@H]1C[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N1c1cnn(C)c1 1514699828 SMMUSNWBUKOLGX-BMFZPTHFSA-N 418.498 1.617 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1517443435 GTGCWNJBNSCWQW-NRFANRHFSA-N 418.542 1.831 30 10 HDEE COC1(C)CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1517912882 JMLLVUZGDPWTIJ-HNENSFHCSA-N 414.510 1.762 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC1 1518829166 ZTGFFRATOLYNSB-UHFFFAOYSA-N 420.477 1.688 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(F)c(F)c1 1519162276 CVIAOQRMGWTSEN-INIZCTEOSA-N 404.421 1.922 30 10 HDEE C=CCC1(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)CCOCC1 1524923036 MFAJLLAXYSUMCP-UHFFFAOYSA-N 407.536 1.934 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)C2)nc1 1527083167 SPNFLFDWAYTPCY-ZDUSSCGKSA-N 421.379 1.921 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1=O 1528588876 JGTOXFNYDSXAMJ-UHFFFAOYSA-N 405.370 1.661 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2ccc(NC(C)=O)cc2)C1)[C@@H]1CCS(=O)(=O)C1 1528599856 JGRPYLRIAYSEAU-MAUKXSAKSA-N 419.503 1.200 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 1532093979 RZNRAEGCJFIURK-UHFFFAOYSA-N 414.487 1.445 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N(CC#N)CCC(=O)OC)(c2ccccc2)CC1 1535417598 PGJYFNSIOWQIFR-UHFFFAOYSA-N 421.519 1.285 30 10 HDEE COC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1538858900 OBNAKYMPSOANDF-QZTJIDSGSA-N 414.462 1.321 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccc(CN2CCC(O)CC2)cc1 1539279021 QTPAAVJHSKKESY-UHFFFAOYSA-N 421.545 1.892 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC1([S@@](C)=O)CC1 1539332538 VACMDDKFGYYYGR-SSEXGKCCSA-N 420.542 1.891 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCO2)n1C[C@]1(O)CCN(C)C1 1539392295 OSWMEPRHWNMJJS-KNQAVFIVSA-N 413.497 1.975 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1Cc1nnc2n1CCC2 1539407873 RXYFZEFBARRFGJ-UHFFFAOYSA-N 407.478 1.626 30 10 HDEE C#CCN1CCN(c2nnc(CCN3CCN(c4ccccc4)CC3)n2CCC)CC1 1539454416 NIYISSYMFOJGAS-UHFFFAOYSA-N 421.593 1.808 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1539978246 ZGCSQRRAWNKHBF-IBGZPJMESA-N 415.586 1.697 30 10 HDEE C=CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1540005451 HGLJKZYGNJWEDQ-QGZVFWFLSA-N 412.469 1.121 30 10 HDEE C=CCCOCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@@]1(OCC)CCOC1 1540041591 BEFZADJMSPJBEW-LEWJYISDSA-N 419.526 1.382 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541115949 HJKZLRJHIAUNCV-NVXWUHKLSA-N 422.555 1.707 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1544780367 SYZNDKHXCKIGBX-OAQYLSRUSA-N 401.463 1.750 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 1544788081 YDHYNOWWBWKVLJ-OAHLLOKOSA-N 407.492 1.779 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1546532893 FSMYKGAVVZUNPW-INIZCTEOSA-N 403.531 1.932 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c(C)o1 1557242777 DUKPYEQGCIBIMA-MRXNPFEDSA-N 402.476 1.719 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)NC)cc2OC)s1 1557571715 RFAODPXCKQQDFU-UHFFFAOYSA-N 423.516 1.762 30 10 HDEE COC(=O)C1=NO[C@]2(CCN(C(=O)c3cnn(CCC#N)c3-c3ccccc3)C2)C1 1557995000 XWDVBWIIKLWAMR-OAQYLSRUSA-N 407.430 1.998 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2Cc3cc(F)ccc3NC2=O)C1 1567388503 YLNBMBWWXURNDT-NOLJZWGESA-N 402.426 1.812 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N3CCC(C#N)(c4ccccn4)CC3)CC2=O)cn1 1586056696 IBTCVWOMTIMOPI-KRWDZBQOSA-N 422.489 1.361 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1588210770 MYGNLMZRCZROQR-KRWDZBQOSA-N 408.437 1.535 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC(F)(F)Br)CC1 1588812794 UJDORSSBZONEFA-ZDUSSCGKSA-N 418.286 1.915 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CC2(CN3CCOCC3)CCCCC2)CC1 1588836509 KTPBFSHWCQVNOI-UHFFFAOYSA-N 414.598 1.878 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCS(=O)(=O)CC1 1589516095 WOFKEQQNYWFZNO-NVXWUHKLSA-N 403.508 1.556 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1593735611 MOHVYFFRGNXHBQ-INIZCTEOSA-N 411.572 1.856 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCCNC(C)=O 1594961516 BVVVQMXAJHZIRS-MRXNPFEDSA-N 422.530 1.735 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2Cc2ccc3c(c2)C(=O)NCC3)C1 1595753355 HLJOQCYJDFIBGB-SFHVURJKSA-N 411.506 1.930 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 1597365675 XMKRBALMRGSRJL-AWEZNQCLSA-N 401.529 1.340 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1611011449 VBBLZICUFKAKHW-UHFFFAOYSA-N 413.503 1.793 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)Nc3ccccc3-n3nccn3)C2=O)cc1 1616266922 BKRYDUJGVPGGJH-KRWDZBQOSA-N 415.413 1.983 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1 1620041604 NHSNEFUFMWKUTB-OXQOHEQNSA-N 416.457 1.692 30 10 HDEE C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1620635336 KRYNLQQKFCFKGH-PSVSLLHZSA-N 408.480 1.633 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 1621671708 FOKJPTUAGVDMAU-UHFFFAOYSA-N 401.469 1.498 30 10 HDEE CN1CCN(CCNC(=O)COc2ccc(C#N)c(Br)c2)CC1(C)C 1626075330 AGLLZJPLTASVSI-UHFFFAOYSA-N 409.328 1.842 30 10 HDEE N#Cc1cn(CCC(=O)Nc2c(O)cc(Br)cc2Cl)c(=O)nc1O 1627039996 YNXGRNXRHWKUKB-UHFFFAOYSA-N 413.615 1.971 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C[C@]3(O)CCCN(C)C3)c(C#N)c2N)cc1 1629236630 VQDUSDZBWYFCJG-JOCHJYFZSA-N 410.522 1.530 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cc(=O)n(C)cn2)c1 1630498424 PHGUPOPHDHHHFP-XLNRJJMWSA-N 417.491 1.626 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NC)s1 1632895552 AFDNSVOAEATQQK-INIZCTEOSA-N 421.544 1.228 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)nc1=N 1633669094 CDGDAUOOVGKDPY-KGLIPLIRSA-N 405.503 1.868 30 10 HDEE C=CCn1cc(C(=O)N[C@@H](CC2CN(C(=O)OC(C)(C)C)C2)C(=O)OCC)nn1 1634436964 IZGNECPDYFVYAF-AWEZNQCLSA-N 407.471 1.383 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccnc(Cl)c3Br)C[C@H]1CS(=O)(=O)C2 1635698386 SPJYRZSNFVODDO-SDBXPKJASA-N 404.673 1.508 30 10 HDEE C#CCN(CC(=O)N1CCCc2c(OCC(N)=O)cccc21)C(=O)OC(C)(C)C 1636015370 YLVJXZSRNUYYQT-UHFFFAOYSA-N 401.463 1.700 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1636699398 KVXWDGIZFUCCTK-AWEZNQCLSA-N 402.463 1.809 30 10 HDEE C[C@@H](CC(=O)NCc1cc2n(n1)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 1640383194 MNAWJJFLYHZXJR-ZDUSSCGKSA-N 401.492 1.353 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@H]2CCCS2(=O)=O)C1 1640762715 WFSIPIXSHGVKJD-CQSZACIVSA-N 412.309 1.450 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2(CNC(=O)OC(C)(C)C)COC2)c1 1641896733 PJAYJXCAKYMFKU-UHFFFAOYSA-N 422.503 1.507 30 10 HDEE C#CC1(O)CCN(C(=O)c2cc([N+](=O)[O-])ccc2I)CC1 1641976809 VVLXOXLHBZVFEU-UHFFFAOYSA-N 400.172 1.800 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN1C[C@@H]2[C@@H]3CC[C@@H](CN3C(=O)C(F)(F)F)[C@H]2C1 1644059093 MOQMGHDJGQQCBT-LEOABGAYSA-N 400.445 1.726 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N1CCC[C@](C#N)(c2ccccn2)C1 1644101581 FUZSTONCDKIBBO-MGPUTAFESA-N 413.503 1.613 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)n[nH]2)c1C 1644152232 PNWJYGHPDXKDAK-LSDHHAIUSA-N 403.508 1.583 30 10 HDEE COCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1644762449 BNGTVZIAZXJPQF-KSSFIOAISA-N 402.476 1.514 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CCO2)cc1 1645727998 VBSWYRQPXJGJJT-IBGZPJMESA-N 410.455 1.308 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCO[C@H](C)CC3)nnc12 1651239681 HPQIPRANSIMQAE-CQSZACIVSA-N 413.503 1.960 30 10 HDEE C#CCN(C(=O)CCNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCN(C)CC1 1652511735 FPEGJWGYZJWHCG-GOSISDBHSA-N 420.554 1.448 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2ccc(NC(=O)OC)c(Cl)c2)C1=O 1655136275 AOMAXCJUXRLHOH-AWEZNQCLSA-N 401.872 1.926 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)CCOCC1 1657026619 MOUJFURIQRYEAN-UHFFFAOYSA-N 420.578 1.081 30 10 HDEE CNC(=O)CN1CCCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 1660245917 JAUQMBWTTOQMOC-HNNXBMFYSA-N 417.579 1.827 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(C)CCN(C)CC2)cc1 1665970064 VMUZUXGPIIDAII-UHFFFAOYSA-N 409.556 1.204 30 10 HDEE C=CCONC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(OCC)c2)CC1 1672757860 YVQDOINRYNDCIZ-UHFFFAOYSA-N 413.496 1.618 30 10 HDEE C=CCO[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N=S(C)(C)=O)cc2)C1 1673070609 JCTUUHZFCZOOLU-AWEZNQCLSA-N 401.510 1.912 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(OC)(OC)[C@@H](O)C2)cc1 1673398493 KXOIWFJKKOLHCH-INIZCTEOSA-N 413.496 1.081 30 10 HDEE O=C1C=COC2(CCN(C(=O)NCc3cnc(N4CCOCC4)c(F)c3)CC2)C1 1681396181 WRCQUPQXQHNPMT-UHFFFAOYSA-N 404.442 1.605 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 1687593257 MGGVJSXWENAGLO-IBGZPJMESA-N 417.941 1.703 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCc2nc(O)c(C#N)cc2C1 1689902141 VQFKPNCKQJURJM-UHFFFAOYSA-N 419.489 1.739 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689986135 JFURPMOBYGGTJG-RTBURBONSA-N 412.515 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCCCS1(=O)=O 1690022401 DFADRUVRLXJUCF-KRWDZBQOSA-N 417.560 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1690028469 XCWIZPZVGYLUDM-UHFFFAOYSA-N 421.549 1.473 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc([C@@H](C)O)cc1 1690059030 HIAQSHZGQMMJRJ-HUUCEWRRSA-N 405.524 1.449 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)n1 1690103496 DOQPKXMJKWMLNF-QGZVFWFLSA-N 417.535 1.212 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1Cc1ncn(C)n1 1690104874 LNPYTCQWCAZMAM-UHFFFAOYSA-N 401.421 1.410 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cc(C)ccc2C)n1C[C@@H]1COCCO1 1690106195 NOBGIXGMUILTQR-LJQANCHMSA-N 414.506 1.975 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCn2cncn2)CC1 1690140030 JGFWOGAQWTYTME-UHFFFAOYSA-N 404.478 1.203 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CC)[C@@H](C)C1 1690236781 RDESEBJHACKBDL-BZSNNMDCSA-N 404.559 1.928 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1690252459 DZNVUXJORJFIMV-POAQFYNOSA-N 400.527 1.972 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690451842 RBFPSAWENCBEBN-RDJZCZTQSA-N 421.571 1.421 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N1CC[C@@H](C(N)=O)C1 1690665426 CUYVIDXSANXKJT-OAHLLOKOSA-N 405.462 1.107 30 10 HDEE CC1=CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1693292766 JWBFYCQYSDULHL-HTXNQAPBSA-N 408.466 1.361 30 10 HDEE Cc1nnc(N2CCOC[C@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693508506 AAOQANBRTJFNEC-VRTBNJGNSA-N 400.483 1.366 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC2CC2)c1 1705572400 ZWGNCRBVJLPNPP-UHFFFAOYSA-N 418.501 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(=O)N(C)C 1705593837 KDRDNXSGUZZTIN-UHFFFAOYSA-N 407.474 1.658 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@]2(O)CCC[C@H]2C)n1 1705632210 YCXJWXWWHZTHNG-DYESRHJHSA-N 400.527 1.874 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](CC)C1 1705652413 YIRCCBNBTMASSX-OAHLLOKOSA-N 400.508 1.907 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@@]1(O)CCN(C)C1 1705676929 UWBSGOJFSGLLBV-DHIUTWEWSA-N 409.534 1.958 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705740846 YESCDKFYBROHST-HXUWFJFHSA-N 420.514 1.222 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705816655 NQFROPFVZQQSLV-OAHLLOKOSA-N 407.544 1.410 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1705865938 CDYDTJLSYFSECB-OAHLLOKOSA-N 423.564 1.918 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1705903858 WSESCKWSOTUEGI-INIZCTEOSA-N 415.494 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1705936884 AIUBZDQCJAQSLM-FQEVSTJZSA-N 421.567 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1705938507 APSRERHKZKUJAC-GVDBMIGSSA-N 410.540 1.593 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1705939862 OMLDSXICDXGKGS-MRXNPFEDSA-N 408.572 1.688 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCCC(=O)N(C)C)CCOC1 1706669972 YELZCRWFWRGSPL-OAQYLSRUSA-N 418.542 1.927 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1)[C@H]1CCOC1 1711027816 BKPJBFBTVLCEFD-IBGZPJMESA-N 410.522 1.889 30 10 HDEE Cn1cccc1-c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(C)(C)O 1711264830 FLGQLMVXNDBZEE-UHFFFAOYSA-N 407.478 1.980 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCC(OC)CC1 1712454537 IESHESWREQMWSG-JCYILVPMSA-N 404.515 1.801 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NCC(F)F 1722282033 WHEDJLGZDLFPDE-VIFPVBQESA-N 415.242 1.875 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1722283304 HZHDRNBUDYLIGF-MGPUTAFESA-N 413.551 1.821 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1722353495 WVGNRYANTZTAJO-JKSUJKDBSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCn1cccn1)[C@@H]1CCS(=O)(=O)C1 1722369139 YUECJTQSGCBTCD-QGZVFWFLSA-N 404.540 1.390 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC[C@](C)(CC)O1 1722373400 MTWUSSPECAEXNW-BXWFABGCSA-N 407.540 1.309 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(O)CCO[C@@H]1C 1722389638 JUHPPUJWAOEDKC-HXOBKFHXSA-N 424.501 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1722396126 CVYLNCUVZGEXPG-UHFFFAOYSA-N 423.492 1.720 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1722408003 WWNQGBGLDHMWKU-IBGZPJMESA-N 410.507 1.248 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCSCC(C)C)CC1 1722429599 OPFBXJUWTSJGAU-UHFFFAOYSA-N 404.584 1.659 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2C[C@@H](C)N2CCOCC2)CC1 1722439411 AQYXVTWDEXCMLR-LJQANCHMSA-N 400.571 1.487 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)NCC=C)CC1 1722441150 HRZAZQFQSIGPIT-UHFFFAOYSA-N 412.469 1.054 30 10 HDEE C=CCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722622419 JIYULTGIFQQZIJ-QFBILLFUSA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N(C)CCCOC 1722699700 XLTMQRDAJOCGCI-KRWDZBQOSA-N 401.467 1.566 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722699737 XSYAJQCUVYJMMJ-UONOGXRCSA-N 417.432 1.632 30 10 HDEE CN(C)S(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC(C)(C#N)CC1 1729346142 VRATUVYEPQXLNH-UHFFFAOYSA-N 422.580 1.952 30 10 HDEE CO[C@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1730372674 FQXVPBWEVBUHLW-HIFRSBDPSA-N 405.480 1.308 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCN(C)C1 1730762398 VTSJKZPKSISCJE-IBGZPJMESA-N 419.917 1.427 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1740623292 QZMOPVJIWLUJAZ-QAETUUGQSA-N 419.551 1.292 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1740662453 LPBMMFAYOYMPRN-UHFFFAOYSA-N 418.303 1.582 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740718284 LJSWSBHMKFTBLQ-HZPDHXFCSA-N 403.552 1.643 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1740793105 POYTVMNPKHUNLN-IEBWSBKVSA-N 404.559 1.422 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2CCCNS(=O)(=O)CC)CC1 1740827504 ZJPVETGCJQEQNW-UHFFFAOYSA-N 404.540 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 1740956295 OMJWVZKZDPHJHE-UHFFFAOYSA-N 400.458 1.478 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC([C@@H]2CCCO2)CC1 1740994700 VEBTWTDLIJOLSH-KRWDZBQOSA-N 412.556 1.811 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)C1 1741572203 HBTNGEWMRQOPOT-QKLQHJQFSA-N 406.506 1.928 30 10 HDEE C[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C)N1CCOCC1 1741833324 FCTLAEAELZPHTB-IAGOWNOFSA-N 423.521 1.204 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1741876164 CCYWQNQARDFZNI-UTKZUKDTSA-N 412.542 1.777 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1ccc(F)cc1 1741925060 GGIPVEOTHXQDAS-ACJLOTCBSA-N 424.477 1.712 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCNC(=O)c1cccs1 1742834482 HGYMDGGXDZXQNI-UHFFFAOYSA-N 422.518 1.671 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCn1cc(Cl)cn1 1748655863 HKCWCAIGANYKCV-CQSZACIVSA-N 422.884 1.929 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1748666470 BCYUCXNVZHLOHX-WMLDXEAASA-N 415.519 1.333 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1CCCN(CC)S(C)(=O)=O 1748682027 PDKAZDXSBVIUIA-MRXNPFEDSA-N 404.540 1.393 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1CCOCC1 1748776523 JSSAWQRTIYSULF-UHFFFAOYSA-N 417.535 1.691 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC(=O)NCC(F)F 1748895299 VBAGXXFMCYKVEB-UHFFFAOYSA-N 403.408 1.852 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnn(C)c1 1748961190 WZQJTJQHHVIKAA-UHFFFAOYSA-N 418.461 1.462 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1749462455 XIBXUBORBYJYPC-UHFFFAOYSA-N 421.461 1.460 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCCCC2)C1 1749682932 DBLGEWOYYNQPQM-QZTJIDSGSA-N 402.543 1.744 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1749731290 ARWPXDZFXBHLOI-YVSFHVDLSA-N 421.567 1.845 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2CCSCCCO)C1 1751276012 BWEDOUHOIRWLNY-LJQANCHMSA-N 406.556 1.646 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H](C)CN2CCCC2)n1 1751853186 BFDRTMHABWICGX-APWZRJJASA-N 412.542 1.600 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCCN1CCOCC1 1751927787 AUEDHIMCJDUUQW-UHFFFAOYSA-N 413.501 1.646 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1760185004 NORSTOBPQZAQNG-IBGZPJMESA-N 424.530 1.859 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCC(=O)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 1760188308 OIUFOFBJAOIEOR-QGZVFWFLSA-N 421.567 1.431 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CCCN1CCN(CC)CC1 1760221364 SWGLHYUWJCYOBR-UHFFFAOYSA-N 419.577 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2CC2(C)CC2)n1 1760252875 SODJLHSMIXNAIH-UHFFFAOYSA-N 408.510 1.961 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@H]2CC=CCO2)CC1 1760264196 FLRRGRGJJHTJRV-LJQANCHMSA-N 423.517 1.966 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760275202 RYHVOXSYNPIDHV-LSDHHAIUSA-N 404.540 1.631 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760322714 WONDAAXOBMDOMX-XAJHFOFHSA-N 412.531 1.956 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1760356855 YHGORZZCEBSSEG-FQEVSTJZSA-N 402.499 1.563 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1760445489 LOISFUIHMXBZGI-QLFBSQMISA-N 417.601 1.811 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1760461611 ANDKVOYDFAIWGP-CYBMUJFWSA-N 414.491 1.651 30 10 HDEE C=CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)C 1760467332 HHODTBLNQIOUSJ-UHFFFAOYSA-N 411.554 1.353 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC12CCC(CC1)C2 1761500132 FVPRMELJDKNXOW-CQDIZWNASA-N 408.528 1.197 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1764543530 GOLODMSYFBXQTI-IBGZPJMESA-N 423.521 1.838 30 10 HDEE CCO[C@@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCOC)CCOC1 1765914634 ZBVSFMXVKWXRJE-NQIIRXRSSA-N 418.542 1.533 30 10 HDEE CO[C@@H](C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1769582593 KYZAAFUJZPMXLE-SUMWQHHRSA-N 401.540 1.845 30 10 HDEE COCc1cc(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n(C)c1 1851504182 BGTNIOCPNHNXKO-HXUWFJFHSA-N 413.474 1.980 30 10 HDEE C#C[C@@H](C)NC(=O)[C@H]1CN(S(=O)(=O)c2ccc(OC)cc2)c2ccccc2O1 1851818600 XLKPUQBJODEAQA-AUUYWEPGSA-N 400.456 1.789 30 10 HDEE CN1CCC[C@H]1C(=O)Nc1nc(N2CCN(c3ccccn3)CC2)c(C#N)cc1C#N 1852093226 BDUFBHSVFPNCQZ-SFHVURJKSA-N 416.489 1.579 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)NCC2(C#N)CCOCC2)CC1 1852636912 KHWCIGLVPRNLNZ-HZPDHXFCSA-N 420.510 1.138 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)cc1 1853885449 HZPXBLBWKWZKLO-UHFFFAOYSA-N 409.467 1.860 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@@H](C2CCN([C@@H](C)CCC#N)CC2)CC1=O 1853896460 SPISHSJOXBDNFL-RDJZCZTQSA-N 414.506 1.787 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN(C(C)C)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1C#N 1854106621 ZKTSIZKTLLOTDG-VQIMIIECSA-N 417.531 1.753 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)[C@@H](F)CC(F)(F)F)C2=O)C1 1854287576 YJZAANJONMBBJV-GXTWGEPZSA-N 414.359 1.824 30 10 HDEE Cc1nccn1CCC(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854352927 RHBKLNADOOQUBL-SFHVURJKSA-N 408.462 1.129 30 10 HDEE N#Cc1ccc(OC2CCN([C@H]3CCCN(C(=O)[C@H]4COCCO4)C3=O)CC2)cc1 1855157314 JBRUONPKYCOLRA-VQTJNVASSA-N 413.474 1.334 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)C1 1855837302 JDKRDELRUMWNEH-IAGOWNOFSA-N 420.510 1.233 30 10 HDEE C=C(C)CN1C[C@H](C)C(=O)N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)c2ccccc21 1857039175 ZKJZTSGZXPSWMV-KSSFIOAISA-N 419.503 1.181 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cccc(-n4cnnn4)c3)C1)CC2 1857219180 IDRYZPLLXXRXAI-NVXWUHKLSA-N 405.462 1.277 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1857490990 XGMZCHYMDLVEQS-IBGZPJMESA-N 419.547 1.723 30 10 HDEE O=C(/C=C/c1ccc[nH]1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1860730581 RYPPALXXGROOLN-ZZXKWVIFSA-N 423.878 1.910 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1862629087 NHMAWKKQKFZNEG-QGZVFWFLSA-N 411.366 1.684 30 10 HDEE C=CCn1cc(OCCO)c(=O)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1870365130 LRLLIPHLKGUOGP-UHFFFAOYSA-N 414.462 1.636 30 10 HDEE C=CCn1c(C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)cc2c(NCCO)ncnc21 1873635446 GEGFAFWZXGHZON-UHFFFAOYSA-N 420.429 1.500 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1ccncc1 1874433800 YTWBYVUDRKWXMW-LSFURLLWSA-N 413.463 1.193 30 10 HDEE CCN(CC)c1cccc(OCC#CCNC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1 1890773970 QBXJNIKCVORFAG-HXUWFJFHSA-N 421.563 1.845 30 10 HDEE C=CCN(C(=O)[C@H]1C[C@](O)(c2cn([C@H]3CCO[C@@H](CC(=O)O)C3)nn2)C1)C(C)(C)C 2087912831 PWONHQOCENPBAY-GXYOHSSGSA-N 420.510 1.884 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243383669 AVFKHKJWGVWRFN-CMDGGOBGSA-N 406.292 1.520 30 10 HDEE CC(C)(C)OC(=O)NC1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)C[C@@H]12 2247829713 VDIFSLYUTSIFKM-VXGBXAGGSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CC1 2247934858 GMSGRHPRPWQXTC-UHFFFAOYSA-N 418.303 1.563 30 10 HDEE C=CC[C@]1(CO)CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2259501864 WNEQWSRYKUSOBX-FQEVSTJZSA-N 406.504 1.653 30 10 HDEE CC1(C2CCN(C(=O)c3ncc(B4OC(C)(C)C(C)(C)O4)cn3)CC2)OCCO1 2282022229 FYXBALXMPLJSOG-UHFFFAOYSA-N 403.288 1.391 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315385 NAIITWRNULKPPE-QWHCGFSZSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(F)CC(CO)C3)c2)OC1(C)C 2282330561 BAZWMUYCZFZQOZ-UHFFFAOYSA-N 405.322 1.436 30 10 HDEE CC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)N(C)C 2282333193 LJUSJOLSFOILHO-LBPRGKRZSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC[C@@H](CCN)C2)OC1(C)C 2282344987 FGOBENWNTSKMQJ-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CCN1C(=O)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1=O 2282346895 ZASAUKNOQUHHAD-UHFFFAOYSA-N 400.287 1.020 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(N(C)C)CC1 2282408287 HEPFPFOCOQMWCU-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282494513 ZXCKFKHLVMKDKQ-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC(C)C[C@H](N)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506672 VVIYMECUSLYNIT-LBPRGKRZSA-N 403.379 1.235 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@H](S(C)(=O)=O)C1 2282596920 DNDZCWPXNMHLQS-NSHDSACASA-N 400.331 1.010 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@H]3COC[C@@H]3O)c2Cl)OC1(C)C 2282647055 XHBQXFUPQHKUIG-JQWIXIFHSA-N 401.721 1.828 30 10 HDEE CCN(CC(=O)NC)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282830491 VBTLAJSDXNDKOC-UHFFFAOYSA-N 402.347 1.112 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C1(CCO)CC1 2282831164 GCJWJDBXQYVPDG-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CC(C)C(=O)NCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858067 RIPKIWUWFUJIAU-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CO)c2cscn2)OC1(C)C 2282866386 IJVDLOIPACAVDA-NSHDSACASA-N 416.355 1.516 30 10 HDEE CC1(C)C[C@@H](O)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870221 OVFVFNNFTZULIX-CYBMUJFWSA-N 401.359 1.722 30 10 HDEE CN1CC(CNS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282870520 TUAOXCNZKLNBBH-UHFFFAOYSA-N 400.737 1.479 30 10 HDEE CN(C)C1CC(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282884514 PBSGHXOWSKPEDO-UHFFFAOYSA-N 400.375 1.559 30 10 HDEE C[C@@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284397056 HUKHCKINVYEXEH-ZYHUDNBSSA-N 401.315 1.531 30 10 HDEE CC(C)(CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)CC(=O)O 2284400341 VLZJAWSUAZCIGS-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE CCC[C@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284402209 HPGFFIUVVODYPQ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC[C@H](CC(=O)O)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2284407236 JDBXKSISCHSTBM-LLVKDONJSA-N 403.331 1.887 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCC[C@@H]2CC(N)=O)OC1(C)C 2285740298 WULYLOXQVLRDPE-LLVKDONJSA-N 400.331 1.076 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC(F)(F)C[C@@H]1C#N 2286065927 NWOIONNNFRYACG-NWDGAFQWSA-N 407.439 1.170 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC[C@](O)(CN(C)C(=O)OC(C)(C)C)C1 2286345845 RMBQNWKGIFFBQO-QAPCUYQASA-N 403.545 1.806 30 10 HDEE CC(C)(C)OC(=O)NCCCC[C@H](NS(=O)(=O)CC1(C#N)CCC1)C(=O)O 2289597986 CMIBOLKCGMJOMZ-ZDUSSCGKSA-N 403.501 1.748 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@H]2OCCN(C(=O)OC(C)(C)C)[C@H]12 2365203613 UNGWWQJJYPMPEX-QKPAOTATSA-N 400.541 1.425 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)CO[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2367790624 WMXQUCIGVCDXGP-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)C1 2367793351 VLSKOKXXUXTZRQ-KRWDZBQOSA-N 401.481 1.438 30 10 HDEE C[C@H]([C@@H](O)C#CC1(S(C)(=O)=O)CCC1)N1CCN(C(=O)OC(C)(C)C)CC1 2367802816 FKODNHIUPGEFLA-CVEARBPZSA-N 400.541 1.259 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367808335 BWHKAMDPXLSNMH-VCBZYWHSSA-N 400.541 1.306 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367809007 JAGILJUXIAFFPS-OAGGEKHMSA-N 400.541 1.306 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@@H](C#CC1(S(C)(=O)=O)CC1)NC 2367814138 ANRKCRUWIJPTLH-BZUAXINKSA-N 402.557 1.457 30 10 HDEE COC(=O)[C@@](C#CC1(S(C)(=O)=O)CCC1)(NC(=O)OC(C)(C)C)C(F)(F)F 2367818611 QKXLYSPXZURIKU-OAHLLOKOSA-N 413.414 1.956 30 10 HDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)Nc2nnc[nH]2)[nH]1 20905113 LZQXCBMRXCQHLL-YAXRCOADSA-N 403.476 1.494 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N2CCCC[C@@H]2C)n[nH]1 59888396 WQQXJLMJYQJDHF-NJDFMEINSA-N 420.543 1.549 30 10 HDEE Cc1ncc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccncc2)c(C)n1 102753762 MFPRPHKWIPSGBG-LAFOYAEKSA-N 423.473 1.242 30 10 HDEE COc1ccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OC 254428878 PISDFKBJTJLVJV-CJNGLKHVSA-N 410.517 1.711 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)cc1C#N 427784861 VGYRITJNHVIMMV-AWEZNQCLSA-N 421.504 1.496 30 10 HDEE Cc1ccc(C(=O)NCc2cn(C)nc2C(F)(F)F)cc1S(=O)(=O)NCC#N 439685170 YHBPSESUJUEUCF-UHFFFAOYSA-N 415.397 1.479 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 460754247 CUCGSSIVZDUBMX-UHFFFAOYSA-N 408.443 1.849 30 10 HDEE C[C@@H]1[C@H](NS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC(=O)N1Cc1ccccc1 461890999 UDBLXDAFKWPMQB-CZUORRHYSA-N 414.443 1.934 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 471569025 FDILMRCOEDPZMO-INIZCTEOSA-N 402.476 1.284 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C3CC3)[C@H](COC)C(=O)OCC)cc2C1=O 472848979 LFLNTCVTOHDISU-QGZVFWFLSA-N 400.431 1.651 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1)C2 478083177 JTNASMYXCSORHU-OXJNMPFZSA-N 420.487 1.416 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 483099853 FKGCDQBDZDITEW-HUUCEWRRSA-N 424.486 1.683 30 10 HDEE C[C@H]1CCCC[C@H]1OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 497556808 QALJFPZYFHLWSA-FUHWJXTLSA-N 405.520 1.986 30 10 HDEE COc1cc(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1OC 502375371 LVNRJFNKYZPRBD-UHFFFAOYSA-N 402.476 1.790 30 10 HDEE C=CCNC(=O)CNC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)C2CCCC2)C1 504434964 PUANDGQRFKKEAW-HNNXBMFYSA-N 402.499 1.730 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1S(=O)(=O)Cc1noc(Cc2ccccc2)n1 506931424 WDOFXAQEPDMEPW-UHFFFAOYSA-N 423.458 1.869 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(F)cc1 514654621 QJCFISVBSOZPAP-UHFFFAOYSA-N 413.861 1.941 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccn(CCN4CCOCC4)n3)cc2C1=O 518232800 WTAVCSVPZCDCHF-UHFFFAOYSA-N 409.446 1.250 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 521111377 GXXUBODDJAQULJ-RDJZCZTQSA-N 421.475 1.145 30 10 HDEE CN(C)C(=O)CCN1CCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)CC1 534384383 INOBCEWQTWFWGZ-UHFFFAOYSA-N 420.535 1.000 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)cc1S(=O)(=O)NCC#N 534751813 LCCIRXATPCBASG-QUCCMNQESA-N 412.515 1.972 30 10 HDEE Cc1nn(C)c(C)c1CCCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 540448733 KZPJRFPTYITHTA-LJQANCHMSA-N 422.489 1.863 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2=O)cc1 546875414 SWKBARRZTRWDCD-GOSISDBHSA-N 419.485 1.659 30 10 HDEE C[C@@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3cccc(C#N)n3)CC2)CC1 546918462 OHHLHPRHTAYAED-FQEVSTJZSA-N 418.545 1.981 30 10 HDEE C[C@@H]1C[C@H](N(C)CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCN1C 553277296 HHUUCPMUKKYWDQ-UIFIKXQLSA-N 401.530 1.949 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2cccc(CC#N)c2)CC3)CC1 559241142 HYRRGMONTAQICR-GOSISDBHSA-N 420.517 1.329 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 562029988 VPABVERCOYCUOJ-YVSFHVDLSA-N 409.556 1.812 30 10 HDEE COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 578227545 RBGKQEJIGJMUSF-MRXNPFEDSA-N 401.872 1.354 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)N3CCCCCC3)cc21 586357544 OITHQWNEVMKJHK-GDLZYMKVSA-N 418.515 1.932 30 10 HDEE CS(=O)(=O)CC[C@@H]1CCCCN1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 589875193 ZXQXTUKZFVTKMP-SFHVURJKSA-N 419.551 1.921 30 10 HDEE O=C(NCC#Cc1ccccc1)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 597691046 ULUNIEYKEKVVLI-GUDVDZBRSA-N 402.516 1.264 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccccc3C#N)c2=O)o1 604001936 YDNYPBWJWQTNDJ-UHFFFAOYSA-N 418.478 1.700 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(CN(CC)CC)cc2)CC1 604162275 BWSODOUNMNBHDW-UHFFFAOYSA-N 401.555 1.658 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@@H]1CCS(=O)(=O)C1 729333898 BJFOAPZIIPLRTI-GFCCVEGCSA-N 423.292 1.292 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CCN1C1CC1 732665281 XZYQMDZYGOAYER-QGZVFWFLSA-N 414.487 1.570 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 734293018 CUIGJZOIHQAQDF-GASCZTMLSA-N 403.460 1.237 30 10 HDEE N#Cc1ccc(OCCNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 741971048 DJLYJXJSZYXKKF-JOCHJYFZSA-N 404.426 1.447 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCN3C(=O)c4ccncc4C3=O)cc2C1=O 744223821 XNCXJWANBCFDMA-UHFFFAOYSA-N 405.366 1.317 30 10 HDEE C[C@H](CC(=O)OCc1nc(-c2ccoc2)no1)/N=C1/NS(=O)(=O)c2ccccc21 745496380 LWGXVCRARXSHNK-LLVKDONJSA-N 416.415 1.890 30 10 HDEE C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C 745542336 ZSDHZWWTSPPVEN-CQSZACIVSA-N 414.466 1.960 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CN2C(=O)CS/C2=C\C(=O)C(C)(C)C)C1 749781261 KCXAZZJYXXEBMG-XXZGICNZSA-N 411.568 1.491 30 10 HDEE Cc1ccc(F)c(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751683619 ARRLMXZMZMNPDB-WMLDXEAASA-N 422.526 1.922 30 10 HDEE C#CCN(CC#C)CC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 752303675 WVRQXZKPQBJMGO-UHFFFAOYSA-N 421.501 1.137 30 10 HDEE COC(=O)[C@H](OC(=O)c1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(C#N)cc1 756219112 HITUWQIKYQHBBF-IIBYNOLFSA-N 407.382 1.684 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCN(CCC(=O)N(C)C)CC2)cc1OC 761545335 LFHORPFMNWTBAX-VQHVLOKHSA-N 401.507 1.896 30 10 HDEE Cn1cc(/C=C\C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c(=O)n(C)c1=O 764751223 MHNNUSACVAAMLR-ARJAWSKDSA-N 424.244 1.811 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCN(c2ccccc2OC)C1)[C@H]1CCS(=O)(=O)C1 774187205 DUSLNUNGBDFVBF-SJORKVTESA-N 405.520 1.353 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(N2CCOC2=O)cc1)[C@H]1CCS(=O)(=O)C1 774195876 VCRLVIPFBZITID-PBHICJAKSA-N 405.476 1.536 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 781006418 MGGKEASPNPUXHN-IBGZPJMESA-N 414.487 1.312 30 10 HDEE CCCN(C(=O)[C@@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 781401323 NDQSPZHYSDNQEF-QAPCUYQASA-N 418.515 1.947 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)c1 788575395 IDJYPNSPMMYDEL-ODENVGOISA-N 419.507 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(OC)c(N3CCNC3=O)c2)n1 790104507 DMJAJXVMHHLULZ-UHFFFAOYSA-N 411.462 1.343 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2c[nH]n3c2nc(=O)c2ccccc23)n1 790105663 VBKFUXOUXRFWFT-UHFFFAOYSA-N 404.430 1.294 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)OCc2ccc(C#N)c(F)c2)cc1 791298412 XGGHMUGENCIZET-UHFFFAOYSA-N 405.407 1.677 30 10 HDEE C=CC[C@@]1(C(=O)OCCN2CCCS2(=O)=O)CCCN1C(=O)OC(C)(C)C 791720361 PKMFEPGSDKQXNE-SFHVURJKSA-N 402.513 1.911 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 799770548 BPALKAAVJXBKDV-YWBAYFEHSA-N 408.458 1.854 30 10 HDEE O=C(OCc1ncnn1CCF)c1c(C(F)(F)F)nn(CCO)c1C(F)(F)F 801288728 HUUNSIBJUYTSRM-UHFFFAOYSA-N 419.257 1.831 30 10 HDEE N#CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 802612812 OIFQDSBNQIVKAK-QGZVFWFLSA-N 422.441 1.324 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(Br)ccc1O 804734716 XAMVDAFLZDQDBQ-UHFFFAOYSA-N 424.276 1.510 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)CC1 809564585 ZMXLHCBMGCMSSL-QYZOEREBSA-N 421.586 1.914 30 10 HDEE C#CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C)[C@H]1CCS(=O)(=O)C1 809811661 FYWWWZHSXPNCHT-HNNXBMFYSA-N 421.910 1.025 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1COc2ccc(F)cc2C1 811566661 JMCOIFLIRUWDGC-AWEZNQCLSA-N 403.435 1.374 30 10 HDEE CSCCN=c1scc(-c2cnn(C)n2)n1N=Cc1cnn(CC(F)F)c1 814186710 NMIRBHBOBNZSQU-UHFFFAOYSA-N 412.495 1.953 30 10 HDEE N#Cc1cc(S(=O)(=O)N2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)ccc1Cl 856533296 RWKJXFRKYGVBDQ-LSDHHAIUSA-N 404.879 1.751 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(Br)c2)c(=O)n1C[C@@H]1CCCO1 916196817 IPBVQZAUWSIJJA-HNNXBMFYSA-N 416.300 1.878 30 10 HDEE COCCCNC(=O)[C@@H](C#N)C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1 916871119 QDBKFYKAIUDHHL-WMZOPIPTSA-N 403.454 1.468 30 10 HDEE COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccc3)n2N)cc1O 1084443745 QAABTFAKAIBXKW-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2CCO[C@@H]2CNC(=O)OC(C)(C)C)c1 1125221534 IFUIGDZBNACZHA-DLBZAZTESA-N 401.463 1.652 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 1137617195 NVXVOBBRBBLSAV-HNNXBMFYSA-N 411.499 1.470 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)OC)C[C@H](OCC)C2(C)C)c1 1138294635 JXWHMFZMOXBXAT-LAUBAEHRSA-N 421.515 1.960 30 10 HDEE N#C[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 1140739904 USBHFDJBNWJCEH-CQSZACIVSA-N 405.863 1.706 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1141425896 GHTBITVFNWUHGR-UHFFFAOYSA-N 413.459 1.791 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)c1 1148831084 XLKGMFSIXOVVMV-CQSZACIVSA-N 400.382 1.328 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2O)C1 1158397620 GDSQJPKLXUTIHA-UHFFFAOYSA-N 406.847 1.667 30 10 HDEE COC[C@@H](C)n1c(SCC(=O)N[C@@H]2CCCN(O)C2=O)nnc1-c1ccccc1 1159642206 VOMUBHINRXYCLQ-UKRRQHHQSA-N 419.507 1.741 30 10 HDEE Cn1cc(-c2ccnc(C3CCN(C(=O)CNc4ccc(C#N)cn4)CC3)n2)cn1 1168386207 INUJOOIECMHIOA-UHFFFAOYSA-N 402.462 1.962 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1175354956 SQJCUNQYUPSANQ-AWEZNQCLSA-N 414.365 1.147 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)C1 1177754729 NECVVVFNBVAISL-CQSZACIVSA-N 413.927 1.092 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc21 1193780679 IFIUSGNVLCUALM-UHFFFAOYSA-N 410.499 1.978 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@H]2CS(=O)(=O)c3ccccc3O2)cc1 1251290510 BMDRKDCRJAELFU-KRWDZBQOSA-N 400.456 1.733 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1286276264 WMKPDJGEGGLTQO-JSGCOSHPSA-N 408.300 1.919 30 10 HDEE C#CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286372782 FBOXWPYTODHLLH-INIZCTEOSA-N 421.954 1.873 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1Cc1ccco1 1286401629 PPLZZCGEGKGFGH-UHFFFAOYSA-N 423.498 1.910 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286407115 CWIYFWZVWVPPSI-HUUCEWRRSA-N 400.483 1.215 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCN1CCc2sccc2C1 1286436021 RFKCWTWAOQQMBG-UHFFFAOYSA-N 400.552 1.996 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1CCc1cccc(C(=O)NC)c1 1286470191 REHZAGWZHGMLCS-LJQANCHMSA-N 411.506 1.818 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1286593873 VFSHBAMJICJXSQ-HOTGVXAUSA-N 402.499 1.515 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286614325 ORKWRMFUCAXJSW-UTKZUKDTSA-N 421.542 1.580 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1286778734 DZHFIOOIBRRZFT-WMLDXEAASA-N 414.441 1.588 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](OCCOC)C1 1286785344 JGNUVYWYPDUWAI-QGZVFWFLSA-N 400.483 1.274 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1291165531 MEQAXSMTTSRXDK-WSQOEDGESA-N 414.510 1.933 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c(N)c1 1296299989 VJFARROSRQWPMA-GOSISDBHSA-N 412.471 1.469 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2COCCN2C(=O)OCc2ccccc2)cc1 1297054275 KOMZQQYWEMYJDF-GOSISDBHSA-N 413.430 1.459 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1300497389 YTPSXEHQUBQLGZ-IRXDYDNUSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300505584 DEQZZAZFESYFLZ-KZNAEPCWSA-N 421.567 1.097 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cccn(CC)c1=O 1300513268 XISOKZUDVOQHGZ-QHCPKHFHSA-N 423.517 1.621 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1300620991 IUEGFGXUQOJERC-QGZVFWFLSA-N 404.478 1.831 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1300665791 OAGAQYMXJFLARS-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@H](CNC(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1300950439 IGESOEYSQOWNCJ-QRWLVFNGSA-N 410.515 1.489 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301033582 GUBOINAWLVMWSZ-UHFFFAOYSA-N 401.858 1.613 30 10 HDEE COC[C@@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1301057704 VNYUNUQVMHSTJU-KGLIPLIRSA-N 413.457 1.772 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2COCCO2)CC1 1301091454 DWGJRILXMURPFH-OAHLLOKOSA-N 403.508 1.841 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCC(C(N)=O)CC1 1301509213 CJCKIMNKSDPQNK-UHFFFAOYSA-N 412.494 1.169 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@]3(CCO[C@@H]3C)C2)nnc1C(C)(C)C 1301595885 DFWCJWGZGULZEA-BEFAXECRSA-N 412.556 1.561 30 10 HDEE C[C@@](O)(C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N)c1cccc(C(F)(F)F)c1 1302291100 ARWDQIXOAXQZAP-KRWDZBQOSA-N 409.368 1.983 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCC[C@@H]3OCCNC(=O)[C@H]32)c1 1302875795 DAWISZWKXWUXBB-OALUTQOASA-N 405.458 1.685 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1303556798 MLXJSYAZJTXPLG-IBGZPJMESA-N 414.531 1.173 30 10 HDEE CCc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1306193935 IAMTUMSFZHXTJF-NRFANRHFSA-N 411.485 1.656 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3ccc(F)cc3S2(=O)=O)c1 1307343039 ACPJPBNKPQTXDY-UHFFFAOYSA-N 401.375 1.300 30 10 HDEE CN(CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CC1 1312828471 ILOXCDJIUSXPQY-UHFFFAOYSA-N 419.551 1.449 30 10 HDEE C[C@H](CC(=O)N1CCOC[C@H]1C(F)(F)F)/N=C1/NS(=O)(=O)c2ccccc21 1329697290 GDSVFYBUCRDNHO-MFKMUULPSA-N 405.398 1.293 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCCO2)CCN1C1CC1 1348740047 BJWOZQKVZQGKCM-ROUUACIJSA-N 413.526 1.260 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(C)CN(C)C1=O 1358972225 YDULBRBBYWKYLZ-QFIPXVFZSA-N 407.474 1.513 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@H]1C 1358989400 ASXHLGWSEBQQMI-AOMKIAJQSA-N 408.458 1.677 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359033544 GKCFNJJQLVUCAI-UHFFFAOYSA-N 416.551 1.386 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CCC(C)(C)O)CC1 1359043997 QPZALNGOVZUOBS-UHFFFAOYSA-N 410.522 1.775 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)C(=O)NC 1359086634 DMDIUDCMTQQVOD-LLVKDONJSA-N 424.347 1.867 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359244368 ANNTYBFLVMVBMP-OAHLLOKOSA-N 423.514 1.900 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1359292060 HJGJXJRJVBVQHL-OAHLLOKOSA-N 424.505 1.826 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1ccsc1 1359299272 ALUGBJDBJSMTOS-LSDHHAIUSA-N 400.508 1.934 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(N2CCNC2=O)cc1 1440769649 KLEZQPOWPLLHMF-UHFFFAOYSA-N 413.459 1.284 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F 1450327036 LAFJHCRUODUGIF-SFHVURJKSA-N 424.494 1.987 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(c4ccncn4)CC3)C2=O)cc1 1451388458 QNRWXQOBYBBHNF-IBGZPJMESA-N 418.457 1.959 30 10 HDEE C[C@@]1(C(F)(F)F)CN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCO1 1454975532 NVRAVQGQXNPRRJ-HNNXBMFYSA-N 405.398 1.295 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1455706935 WIQIYXVPAVFRRZ-FUHWJXTLSA-N 407.511 1.440 30 10 HDEE COc1ccc(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)c(OC)c1 1459351585 QJAHFJNFXYBIMX-KRWDZBQOSA-N 417.506 1.533 30 10 HDEE COC(=O)[C@H](C[C@@H]1CCCOC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1462133417 ZQMFYCDTBZSEJO-BQFCYCMXSA-N 403.454 1.998 30 10 HDEE CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC12CCCCC2 1468225727 OVXPLEVFCOUUMF-UHFFFAOYSA-N 404.536 1.969 30 10 HDEE C=CCn1cc(C(=O)N2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)nn1 1471246265 ZLMFLYSLXZTTBE-CABCVRRESA-N 400.483 1.785 30 10 HDEE CCc1cnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)s1 1498202368 GODVNTMNUSIZLG-SJCJKPOMSA-N 424.527 1.689 30 10 HDEE CCCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C#N)CC1 1501212452 AXPUSMUMVOYQPH-UHFFFAOYSA-N 406.494 1.783 30 10 HDEE COC[C@H](F)Cn1c(N2CCN(c3nccnc3C#N)C[C@@H]2C)nnc1C(C)(C)C 1504608542 LEBBCKAGIZRRBT-LSDHHAIUSA-N 416.505 1.937 30 10 HDEE C#CCCCCn1c(N2CC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507573845 JTDYPZNYQSJJEB-APWZRJJASA-N 410.540 1.357 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1507582772 KGOBNJRBNJVUOE-UHFFFAOYSA-N 400.439 1.308 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1507655834 OPSYZIUKZPWKMU-UHFFFAOYSA-N 421.436 1.222 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1507656706 JFMREBAWOYAMLI-MBSDFSHPSA-N 408.502 1.685 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CN1CCCC1 1507712019 AGYCYLLTLRRZOF-QGZVFWFLSA-N 402.543 1.437 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1507751141 KHHBDGBPKXRSSS-ZWKOTPCHSA-N 407.584 1.695 30 10 HDEE C#CCSCCn1c(N2CCN(C3CCC3)CC2)nnc1[C@]1(OCC)CCOC1 1507758831 UIEZTKHNZDNZRP-NRFANRHFSA-N 419.595 1.971 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1507778157 BWRWTSNVBLTOHN-RYUDHWBXSA-N 422.349 1.412 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1507833234 FBAVTVYHCPFMAE-UHFFFAOYSA-N 417.583 1.980 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1508059202 QOSSIUNNBUZWOT-JKSUJKDBSA-N 409.556 1.355 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCO[C@H](c2nccs2)C1 1508080487 BUKBKBCKBAUFLM-HNNXBMFYSA-N 413.507 1.620 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@](O)(c2ccccc2F)C1 1508080594 PZDGPILBNLFDIC-NRFANRHFSA-N 410.453 1.812 30 10 HDEE CC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cn1 1508290918 HFYSZDVIVBJCFA-IAGOWNOFSA-N 411.466 1.303 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1508427220 LCLQZOWSYGJGQR-CVEARBPZSA-N 410.478 1.836 30 10 HDEE CCC[C@@](C)(O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1514253625 JMILVNMYTOZVLS-OAQYLSRUSA-N 422.493 1.765 30 10 HDEE CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1514792296 JXXFZXVAWATOHS-KRWDZBQOSA-N 407.478 1.993 30 10 HDEE COc1ccc(Br)cc1-c1nc(C(=O)NCC(=O)NCC#N)cs1 1525373237 ZNEDNZZTVPRZAB-UHFFFAOYSA-N 409.265 1.951 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2nn(C)c(C(F)(F)F)c2Br)CC1 1530236188 RIXSAWUTPWZMST-UHFFFAOYSA-N 421.217 1.803 30 10 HDEE Cc1c(C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)nnn1-c1cnn(C)c1 1530700226 GOKATFLUUDYDHW-UHFFFAOYSA-N 410.869 1.797 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539125373 LNFUDMXYXXSQIW-QAPCUYQASA-N 416.503 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](F)COC)CC1 1539462368 DYJABKCEMPZKPO-KZNAEPCWSA-N 407.534 1.936 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC[S@](=O)C(C)(C)C 1539563171 IAHAQYQNMJZTKS-NGOKVRLYSA-N 405.568 1.940 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1539616592 RMTRUDNXZKHXFH-MHORFTMASA-N 405.499 1.712 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1540034258 ZAMUFFQSDIACOA-FIKGOQFSSA-N 419.526 1.596 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1540062086 FHWRMBUNLZEUMJ-QGZVFWFLSA-N 400.508 1.863 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1540063833 FADBYNJAGQMKOD-DOTOQJQBSA-N 417.539 1.562 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540872221 HJAYCPSYEKIANI-MJGOQNOKSA-N 424.549 1.853 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)CCN1CCOC 1546740223 XSGVXWZJTYGXNF-KRWDZBQOSA-N 424.509 1.739 30 10 HDEE CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C1CC1 1547374261 MQBRQOISFYKXKR-MRXNPFEDSA-N 420.495 1.113 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1CC1(O)CCCC1 1548308087 HSIYBFJBYDWKKQ-UHFFFAOYSA-N 417.535 1.993 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@H]1CCOC1 1548334401 FTZKQAAUPCGVIS-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC(=O)N(C)C 1555614467 LCOQHONWVCOPMS-HNNXBMFYSA-N 400.483 1.598 30 10 HDEE COCCOCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1555725812 DBIUYXNIVLIAPQ-UHFFFAOYSA-N 413.526 1.832 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1558110337 NWZJFAHSFWPWFS-ZIFCJYIRSA-N 410.536 1.377 30 10 HDEE C[C@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1558127929 ICOLIGGCJZQYGJ-LJQANCHMSA-N 406.364 1.862 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)Nc2[nH]nnc2C(=O)N2CCCC2)CC1 1562921966 GIUXCGBITVFTHR-UHFFFAOYSA-N 408.466 1.703 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O 1565054383 INDWYBARLVSMPO-GOEBONIOSA-N 405.462 1.156 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@H](c3ccnn3C)C2)c1 1569162528 MXVXYTHVJBVECN-YJBOKZPZSA-N 404.492 1.535 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1584314955 DIRGASPTLBWSLM-ICSRJNTNSA-N 420.531 1.997 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N2CCO[C@@](C)(C#N)C2)C1 1585431267 AUKKALLJHZECIW-YYWHXJBOSA-N 401.463 1.944 30 10 HDEE COCc1ccc(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1OC 1586492650 XTAWMQMSHISZOC-UHFFFAOYSA-N 403.460 1.909 30 10 HDEE COC(=O)C[C@@H]1CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CCO1 1587080702 LQHPFHGZDVDBJB-MRXNPFEDSA-N 403.284 1.698 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1587697149 KRQRLTOPOZLSMV-QGZVFWFLSA-N 413.526 1.358 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1Cn1cccn1 1588006224 HIVHTAVVGQZYQP-UHFFFAOYSA-N 403.490 1.763 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588058710 AYXCVIGHSAFBBQ-KRWDZBQOSA-N 409.600 1.834 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1588065210 VZXDNOPLDWUNMQ-GOSISDBHSA-N 417.535 1.316 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccs1 1588432656 GEAOIWFFLXHXMW-UHFFFAOYSA-N 400.508 1.352 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1588558918 BLFVSPWOBPKQPA-KRWDZBQOSA-N 417.510 1.143 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2=CCCCC2)CC1 1588884752 MMNNZAVLROETGY-UHFFFAOYSA-N 424.549 1.980 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H](C)N1CCOCC1 1589151153 SHUUIYNNVMFWSF-WAOWUJCRSA-N 405.543 1.715 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1589381999 ISXIAAGSPOLYQE-MRXNPFEDSA-N 420.271 1.675 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H](N2CCCC2=O)C1 1595555821 IAPZWNWJHKTZOC-LJQANCHMSA-N 422.533 1.681 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1595556559 XTYUKZGBFZYQJG-INIZCTEOSA-N 419.551 1.349 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)[C@@]3(C#N)CCCOC3)c3nccn32)C1 1597511417 XWABQVAMZRBRTQ-IFXJQAMLSA-N 401.467 1.710 30 10 HDEE C[C@@H](C(=O)Nc1cnn(Cc2ccc(C#N)cc2)c1)S(=O)(=O)C1CCOCC1 1597582928 RZSHFULWAWYAMC-AWEZNQCLSA-N 402.476 1.724 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1598167834 QBEDXIDHTBPFKZ-HTZUNMPGSA-N 401.463 1.478 30 10 HDEE COCCn1cc(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)c(=O)cc1C 1598245062 JXFSGFWGDLKVEW-MRXNPFEDSA-N 415.446 1.824 30 10 HDEE C=CCNc1ncc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)s1 1603251462 AAAVMMODWRSNLE-LBPRGKRZSA-N 421.523 1.691 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@@H](C)N(C)C)cs1 1612410619 MWCGFEDTMPDDMF-KDOFPFPSSA-N 414.583 1.761 30 10 HDEE Cn1c(N2CCC[C@@H]3CC[C@]32CNC(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1612988185 BOYNGSDCTPOURI-XCLFUZPHSA-N 403.483 1.229 30 10 HDEE CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCN/C(O)=C1/N=CC=CC1=O 1615180341 NIKPSDANTRNTJQ-VXPUYCOJSA-N 420.477 1.499 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1616336882 SXLBZWBHCYIOKN-KQEPKPNTSA-N 423.535 1.420 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC(CC#N)CC1 1617398851 UGAOBGDCEFJCAC-UHFFFAOYSA-N 422.580 2.000 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2ncccn2)CC1 1619614915 RWXFQEVRWHZGMI-SFHVURJKSA-N 422.468 1.918 30 10 HDEE C#CC[C@@H](COC)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1623660007 XTCJEWLEVKRFGY-WMLDXEAASA-N 409.464 1.293 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OC 1624256804 NMAMSNFINAMTEX-ZFWWWQNUSA-N 420.462 1.689 30 10 HDEE C=CC1(CC(=O)N2CC[S@](=O)C[C@@H]2c2cnn(C)c2)CN(C(=O)OC(C)(C)C)C1 1625081810 QKJHTMIXFJWNAK-BCOMRZATSA-N 422.551 1.865 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccn(-c4ccccc4C(F)(F)F)n3)C[C@H]1CS(=O)(=O)C2 1626655734 KIKJPXDYIHQJOF-SJCJKPOMSA-N 424.404 1.901 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC[C@@H](N2CCNC2=O)C1 1627363051 AABXOWGEIYNAMA-GFCCVEGCSA-N 407.268 1.716 30 10 HDEE N#CCc1ccccc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1629993555 BDCSJLXMVKYGHW-UHFFFAOYSA-N 412.515 1.489 30 10 HDEE CC[C@@H](CNC(=O)Cn1cc(C#N)c(O)nc1=O)Oc1ccccc1C(F)(F)F 1630620978 GEJYKOOPXKETJD-LBPRGKRZSA-N 410.352 1.813 30 10 HDEE C=C[C@H](C)ONC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1631874568 XZMHEAPKKYFZHG-JQWIXIFHSA-N 423.413 1.240 30 10 HDEE CCOC(=O)[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@H](O)c1cccnc1 1631958075 LMRBTDMEEMQOCJ-ZIAGYGMSSA-N 408.336 1.762 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 1632219552 YSRBCMZQPHXKAB-IBGZPJMESA-N 401.488 1.456 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cccc(OC)c1 1632484462 KYTYACUBUROUPU-INIZCTEOSA-N 412.508 1.978 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 1632624039 MKOSKBUIIQNPSS-KRWDZBQOSA-N 420.872 1.256 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)nc1 1633498814 PARGIPWGILRZEI-ZIAGYGMSSA-N 401.410 1.882 30 10 HDEE C=CCCC[C@@H](NC(=O)CN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C)C(=O)OC 1634885885 ZKZIPUGXZLCJSI-ZHRRBRCNSA-N 413.474 2.000 30 10 HDEE C[C@](O)(CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1cccc(F)c1 1635213419 XNTANNLTDPWCCO-FQEVSTJZSA-N 419.478 1.668 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)CCc2c(C)nc(O)c(C#N)c2C)cc1 1635784725 LIYUWVOITBZPHW-UHFFFAOYSA-N 416.503 1.475 30 10 HDEE COC(=O)[C@H](CCC1OCCO1)NC(=O)Cc1ccc(Br)cc1C#N 1636283985 KJQDVHGHMSTCSU-AWEZNQCLSA-N 411.252 1.674 30 10 HDEE Cc1cc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(S(C)(=O)=O)c1 1636394314 YFGLHZWWCLZIQP-ZDUSSCGKSA-N 421.500 1.576 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)c2occc2COc2cccc(C#N)c2)CC1 1638053983 HLCNOLLAHJGVBX-UHFFFAOYSA-N 410.474 1.966 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@H](C)CC[C@H](C(N)=O)[C@H]3C)ccc2c1=O 1639209786 QQFOYPJUVYQKJU-BZPMIXESSA-N 400.504 1.986 30 10 HDEE Cn1c(Sc2ncc(Br)cc2C#N)nnc1[C@@H]1CCS(=O)(=O)C1 1639213351 HLGHTHGHKIHXHK-MRVPVSSYSA-N 414.310 1.898 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)CCn1cc(C#N)c(O)nc1=O 1640147188 PRTFPPNRCNCSMV-JLTOFOAXSA-N 417.466 1.116 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC2(C(=O)OC(C)(C)C)CCOCC2)cc1 1641248410 WAIQELZTJPOKBB-UHFFFAOYSA-N 424.519 1.772 30 10 HDEE C#C[C@H]1COCCN1CC(=O)Nc1cc(OCC)c(N2CCOCC2)cc1OCC 1643375649 XPZZWQSYTIXMKP-KRWDZBQOSA-N 417.506 1.593 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nnc(C)n2C)CC1 1644184734 BHHLHCXRDBYCDT-AWEZNQCLSA-N 412.922 1.808 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCN3CCOC[C@@]3(CO)C2)cc1 1647080850 IXODSOQFJPCDEM-QHCPKHFHSA-N 407.470 1.656 30 10 HDEE CON=CC(=O)N1CCN(C(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 1648094203 ONYUQVMLJQJXLI-UHFFFAOYSA-N 414.503 1.935 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1653999991 ALPKNHFCQOSFSC-UHFFFAOYSA-N 416.902 1.988 30 10 HDEE O=C(Cn1cc(C(F)(F)F)ccc1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811291 APEYHBQMPLFXFC-UHFFFAOYSA-N 423.347 1.771 30 10 HDEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@@H]2c2ccccc2Br)CCOCC1 1658122034 UYVOMPHTZREBPA-PBHICJAKSA-N 422.323 1.993 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cccnc1Oc1ccc(F)cc1 1661051455 MZLCUHOCANBVAD-UHFFFAOYSA-N 400.453 1.892 30 10 HDEE C=C[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccn2)c1 1663387885 DPFJYCMXOZVWDP-PBHICJAKSA-N 403.460 1.964 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(CN2CCS(=O)CC2)cc1 1663692166 BHLZPXHJLQNMRN-UHFFFAOYSA-N 421.519 1.740 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC[C@H](CO)Cc2cccnc2)c1 1664768296 HJPIUMIZAFARQH-CQSZACIVSA-N 410.293 1.845 30 10 HDEE CN(c1ccccc1NC(=O)N1CCN(c2ccc(C#N)nc2)CC1)S(C)(=O)=O 1667945113 HBSVWZCBCHXLEI-UHFFFAOYSA-N 414.491 1.703 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)CCN(C(C)=O)CC2)C(=O)OCC 1669267142 KPSZJGHGEFGCDG-LJQANCHMSA-N 408.520 1.810 30 10 HDEE Cn1cc(CNC(=O)N2CCOC[C@H]2c2ccnn2C)c(-c2ccc(C#N)cc2)n1 1671561388 FNNDGMJVXHEWAC-IBGZPJMESA-N 405.462 1.975 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cscc2Br)CC1 1677988439 AHKHGARCVDIQRA-UHFFFAOYSA-N 407.315 1.128 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1689855901 FOCRWKDMNOWWJH-HZPDHXFCSA-N 402.524 1.003 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1689862769 GIVKXVIOBGJDFM-HNNXBMFYSA-N 413.503 1.764 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1689946367 PXPJIPBTYXJFMM-AWEZNQCLSA-N 411.441 1.780 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1689994500 ZHLWMEDZERUCJX-YLJYHZDGSA-N 406.552 1.672 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nc(C)c(C)s1 1690077925 ZVGWICAEONONOT-HNNXBMFYSA-N 407.565 1.956 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(SC)CC2)CC1 1690113274 FIODDRATNAFARH-OAQYLSRUSA-N 419.595 1.970 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1690436439 RNTZWUKTLVPMMC-OAHLLOKOSA-N 409.556 1.626 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C2CC2)N(C)C)CC1 1698084828 ATAPNNBVPLDDGK-NRFANRHFSA-N 423.565 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1N(C)CCCC1(C)C 1705477349 MRNOVXGDCGYKQL-ARFHVFGLSA-N 410.588 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1705486381 CMKGZFXTXQVQKN-FZKQIMNGSA-N 408.911 1.606 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1CCCN(CC)S(C)(=O)=O 1705581556 FENAXHQUIULECI-QGZVFWFLSA-N 407.540 1.264 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(OC)cc2OC)n1Cc1nnnn1CC1CC1 1705609951 XHUNHHPYNICZEK-UHFFFAOYSA-N 422.493 1.867 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC(=O)NCCC)CC1 1705647527 GENDQAHGWCAJBC-KRWDZBQOSA-N 416.526 1.012 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1705829203 KHKJMIHXSYBYJM-LSDHHAIUSA-N 417.470 1.091 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1cnnn1C 1705881387 MSKHTFNENAOFNG-UHFFFAOYSA-N 421.303 1.851 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 1705890141 YYXJWPRPYTWNEE-VDZJLULYSA-N 412.542 1.668 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2cccc(OC)c2)CC1 1705908245 LSBIWVDWWBWBPM-UHFFFAOYSA-N 414.510 1.452 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC([C@@H]2CCCO2)CC1 1705935727 BPFLWDOEQQXZJZ-ROUUACIJSA-N 424.567 1.778 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1COc2ccccc2O1 1706751904 WPCYUFMFSWKIHE-HOTGVXAUSA-N 410.478 1.979 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)C1 1706932057 AYJMSVKKFBVHPZ-NRFANRHFSA-N 422.493 1.186 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC[C@H](CO)O1 1711072709 JIEJTTVEYFYYRZ-RBUKOAKNSA-N 424.505 1.562 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1711302260 GTWZHVYUAMCESL-LBPRGKRZSA-N 419.436 1.016 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](F)COC)C1 1711316952 UTHWDHMJUJDBIB-JXFKEZNVSA-N 400.458 1.764 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1712565158 BQRHVLUJCDWSAH-TXUMCGTDSA-N 413.544 1.278 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)C1 1712876936 XUKKOPMVHWWEHQ-FQEVSTJZSA-N 409.425 1.615 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCCC2)nnc1N(C)CCNS(C)(=O)=O 1722507297 HUSLQVHFMQBHJG-DLBZAZTESA-N 411.572 1.902 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1722528992 RQYNTFPKSLNLOR-KRWDZBQOSA-N 403.483 1.781 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1722558105 DYDZVQQSSWDQJZ-JKSUJKDBSA-N 410.950 1.919 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)S(=O)(=O)CC)CC1 1722578096 YWRBJCDKXCMJDP-MRXNPFEDSA-N 424.571 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1c(C)noc1C 1722725957 VLSJVWFOYSHDRB-UHFFFAOYSA-N 424.527 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC(CNC(C)=O)CC1 1722726970 HLULMNGULLJOGR-UHFFFAOYSA-N 420.539 1.227 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1728263339 AJUPVNHDFYNFJJ-UHFFFAOYSA-N 424.505 1.966 30 10 HDEE CC#CCCCC(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F 1736561666 CZUQFCFVCDBADK-WDTWZTHCSA-N 402.413 1.774 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1740587340 GYLIHOWQHRFSPJ-UHFFFAOYSA-N 417.473 1.817 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(OC)cc1 1740599971 HFLQVSRYEICNJA-HUUCEWRRSA-N 421.523 1.434 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2cccc(C)c2)n1CCCn1cnnn1 1740658204 FMHMUHNFAYAMEU-UHFFFAOYSA-N 404.478 1.705 30 10 HDEE C#CCN(CC)c1nnc(-c2cccnc2)n1CCS(=O)(=O)N1CCSCC1 1740667575 JCHNFZCZFHZHJO-UHFFFAOYSA-N 420.564 1.178 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1740715055 BZFZUDPJTCHPDH-KRWDZBQOSA-N 415.567 1.930 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(C)nn1C 1740730560 BSXRPJXAGYWRPV-HNAYVOBHSA-N 402.524 1.263 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1740795570 XXBAXNSUVITKEJ-KURKYZTESA-N 423.583 1.446 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740885620 KSGBQVYGFGRARB-SJORKVTESA-N 404.515 1.174 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CCCCC2)C1 1740951256 DRTKFBWXMCUNNR-HNNXBMFYSA-N 424.571 1.351 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@@H]3CCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740965780 SMYWZPKTYXPOPA-CSODHUTKSA-N 403.527 2.000 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](C(N)=O)C1 1740988065 RZHGDIYWRFBZOW-KRWDZBQOSA-N 417.535 1.420 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1741129831 HYLVSWILXYPCBJ-RDBSUJKOSA-N 413.448 1.709 30 10 HDEE CCc1nnc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(C#N)CC2)s1 1744514151 BAHTWYLMOINZLN-LLVKDONJSA-N 424.556 1.090 30 10 HDEE CN(Cc1ccoc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747796392 WSYXEEGOUCGAQY-UHHPSXQGSA-N 412.450 1.538 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2OC)n1C[C@H]1CCOC[C@H]1OC 1748800155 SECFMUZJEBYWGF-VQIMIIECSA-N 400.479 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(N(C)C)CCSC1 1748888588 YVZRQDUXDDDPCA-UZLBHIALSA-N 400.552 1.129 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccccc2)CC1 1748993538 BJIKYNMYUMHQQH-XMMPIXPASA-N 416.529 1.927 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 1749004709 LWISYEXDAYUPHX-WIYYLYMNSA-N 401.511 1.281 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCOC)CC1 1749005972 DAXMUDOOWFHHAM-UHFFFAOYSA-N 416.913 1.996 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](Cn2cccn2)C1 1749037243 CFRDUAFGCXVUMS-ROUUACIJSA-N 416.551 1.640 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2OC)n1CCCn1cnnn1 1749071789 ROXBGUVUXWWASK-OAQYLSRUSA-N 406.494 1.946 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749126457 CKNQBYYHDARDPC-QUCCMNQESA-N 416.570 1.737 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1749452329 WBWXXSMDDKEAIX-HXUWFJFHSA-N 400.483 1.907 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](C(=O)NC)C1 1749657621 CMXWTZPFEUVAMQ-SFHVURJKSA-N 410.522 1.772 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(COC)CC1 1749678197 YXQBRPHXNZJKSU-UHFFFAOYSA-N 424.505 1.894 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N(C)C2CC2)C1 1749688944 AHEMTBPRSHCGDO-FUHWJXTLSA-N 402.543 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749721957 XPLHEZHZHNSOPA-HUUCEWRRSA-N 418.585 1.406 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1749732133 QIWPZEVBAMHVRY-AWEZNQCLSA-N 408.484 1.026 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1750378250 FSVQISKUXVSIHH-YJBOKZPZSA-N 404.471 1.141 30 10 HDEE CC(C)(O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1750532174 CPPAPDYRZVOSEB-MRXNPFEDSA-N 412.494 1.591 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@@]2(O)CCO[C@H]2C)CCOC1 1751007105 OTEGLONHBKEYTB-GIYDNNGJSA-N 407.515 1.597 30 10 HDEE CC1=CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1751720148 VMFMPARMIWSRCG-FQEVSTJZSA-N 413.503 1.523 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1Cn1cccn1 1760113568 ACPNFJGQLJDTNY-VQIMIIECSA-N 403.490 1.980 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@]2(CNC(=O)C2)C1 1760129565 RKXAEGJONLWTNF-NRFANRHFSA-N 400.527 1.716 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc2nsnc2c1 1760247843 RLMUZEYYLHTZPR-UHFFFAOYSA-N 408.491 1.818 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1760279512 BBXCMYYWLHPDPG-CABCVRRESA-N 415.523 1.671 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(=O)NC)CC1 1760283275 IGMQIKCLNDQJCQ-UHFFFAOYSA-N 418.592 1.963 30 10 HDEE C=CCCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCO[C@H](C(=O)NC)C1 1760424032 UEEVLESRROPEHG-SFHVURJKSA-N 413.478 1.981 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCCS1(=O)=O 1760502497 AYBZTYZEPPVYIT-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3OC)n2C[C@@]2(O)CCN(C)C2)C1 1760540645 MPHLTUDVQXTJLE-VGOFRKELSA-N 413.522 1.802 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)(F)F)C1 1760543318 RPLLYMUEWIAEHF-OLZOCXBDSA-N 403.405 1.937 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)CN2CCCC2)C1 1760545411 UEUKUGYVZDQFOV-KSZLIROESA-N 402.543 1.742 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1Cc1ccc(C#N)o1 1761235462 AGYBYTDLAAIAAA-OAHLLOKOSA-N 408.466 1.106 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1763925912 SPXOPMIRPQPAOY-JCGIZDLHSA-N 410.478 1.683 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](F)COC 1764180995 LEBOGPDGICGDFO-YOEHRIQHSA-N 421.521 1.358 30 10 HDEE CCO[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1765800429 AOZLKFDKDOQCIV-KZNAEPCWSA-N 410.478 1.736 30 10 HDEE CCSCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1768407194 ZXRBNLMDOPXGHB-QGZVFWFLSA-N 400.556 1.998 30 10 HDEE COCCN1C[C@H](Cn2c(-c3cccnc3)nnc2N2CCC[C@](C)(C#N)C2)CC1=O 1769878930 DJEQVPMMEDDFMS-VGOFRKELSA-N 423.521 1.965 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCc2cccc(C(N)=O)c2)C1 1770727479 GMCCUYWKAOISGV-UTKZUKDTSA-N 412.469 1.956 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCCO2)CCO1 1770751779 NAUCVXQJVIIOTE-OALUTQOASA-N 412.494 1.578 30 10 HDEE CN1CCC(N2C[C@@H](C(=O)Nc3snc(C(F)(F)F)c3C#N)CC2=O)CC1 1850111358 DBVJHVNHTRJPGV-VIFPVBQESA-N 401.414 1.915 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@@H]1CCN(C)C1=O 1850863794 UUQDKOLURFWTID-DZGCQCFKSA-N 405.882 1.947 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)CCC(=O)Nc2ccccn2)CC1 1851181005 FOSDHFCPPVICIP-UHFFFAOYSA-N 408.462 1.432 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)CCS(=O)(=O)c3ccc(F)cc3)CO2)nc1 1852080907 XYJFFCOODPZSPF-OAHLLOKOSA-N 405.407 1.620 30 10 HDEE COc1ccc(-n2nc(C(=O)N3CCN(c4nccc(C#N)n4)CC3)nc2C)cc1 1852373859 MSAVLMLSIBVPOK-UHFFFAOYSA-N 404.434 1.208 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cnn4ccc(C(F)(F)F)nc34)CC2)n1 1852387563 PMVIMTFGCAINNM-UHFFFAOYSA-N 402.340 1.372 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)c1ccc(N2CCC(N3CCOCC3)CC2)cc1 1853356707 OEEKZZAINKCLIK-UHFFFAOYSA-N 417.579 1.934 30 10 HDEE NC(=NOCCC(=O)N1CCCC[C@H]1CCN1CCOCC1)c1ccc(F)cc1 1853421312 CRNXOZKEMMLPFI-IBGZPJMESA-N 406.502 1.956 30 10 HDEE Cc1ccc(C(=NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)NOCCCF)n1C 1853503838 SOFONYIXNDWLCG-UHFFFAOYSA-N 408.455 1.844 30 10 HDEE Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853946879 DHBLIWIPGSEJFT-UHFFFAOYSA-N 413.455 1.305 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCCN(C(=O)c2ccncc2)C1=O 1854797873 HGAPJDLXMUYBFW-GOSISDBHSA-N 405.462 1.085 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@H]3CSc4nc(C)cc(=O)n43)C2)CC1 1855042350 WXUSAIZHRLWRHK-SJORKVTESA-N 416.547 1.862 30 10 HDEE C=CCN(CC=C)[C@H]1CCCN(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1=O 1855226860 VXAYFZSIXRIAAJ-CVEARBPZSA-N 402.520 1.465 30 10 HDEE C=CCC[C@H](C)C(=O)N1C[C@@H](CN2CCN(S(=O)(=O)C3CC3)CC2)CCC1=O 1856636198 CTBCGZSOWDPYHU-DLBZAZTESA-N 411.568 1.464 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1856869188 YRCWRWHUYDIWCV-IEBWSBKVSA-N 402.539 1.099 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)COc3ccc(F)cc3)C2)CC1 1857053212 JYUXNSUNBIYRPJ-HNNXBMFYSA-N 423.466 1.145 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccnc(Cl)c2)cc1 1858978476 KVVHUSIJQINXFB-UHFFFAOYSA-N 422.894 1.881 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2cccc([N+](=O)[O-])c2)c1 1862558645 WKCCXLKFJDMYAB-SFHVURJKSA-N 424.413 1.891 30 10 HDEE CN1C(=O)C(C)(C)c2cc(C(=O)N[C@@H](CO)C(=O)Nc3cccc(C#N)c3)ccc21 1867204934 BFBSIQVZHQUDLM-KRWDZBQOSA-N 406.442 1.542 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(CCCN(C)C)CC2=O)nc1C(F)(F)F 1873528086 GEHKIPSFIAHMCY-UHFFFAOYSA-N 406.430 1.802 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1889642864 WCKRALBSDUIJCC-UIFIKXQLSA-N 412.559 1.785 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2cccnc2C#N)CC1(F)F 1965777927 SHQSGJMFEHOSOR-CYBMUJFWSA-N 402.423 1.876 30 10 HDEE C=CCC1(C(=O)O)CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2089704253 BFYHSAMCRTYLPC-UHFFFAOYSA-N 420.487 1.745 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 2118168404 LHQGYDJUCWYIHJ-KGLIPLIRSA-N 401.872 1.782 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782044 LZDQKUYFXTTYFV-GJZGRUSLSA-N 401.529 1.920 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782285 OWNYRFGCISZALW-WJYNOGRTSA-N 405.492 1.622 30 10 HDEE COCC[C@@]1(NS(=O)(=O)N2CC[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174789067 MFZOLCOGFAQFKJ-YOEHRIQHSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)CC[C@@H](CNS(=O)(=O)N2CC(C#N)C2)CC1 2178645662 XHKPWEXPGDXPBG-XFHMXUHZSA-N 404.508 1.699 30 10 HDEE C=C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@H](C)O 2241672852 WKFKCJOTRCJQHX-UONOGXRCSA-N 401.504 1.800 30 10 HDEE C#CC(CO)(CO)NC(=O)CCCNC(=O)OCC1c2ccccc2-c2ccccc21 2242275674 YSKZVDQCJRCVCS-UHFFFAOYSA-N 422.481 1.778 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNc1ccc(N)c(B2OC(C)(C)C(C)(C)O2)c1 2243479111 LIHQNLLVYPKARD-CQSZACIVSA-N 407.320 1.866 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CC1 2247827245 GKIRORYOQRCFFI-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3CC(CN)C3)cc2Cl)OC1(C)C 2267704309 LMTZMAWZBJUUCD-UHFFFAOYSA-N 406.766 1.716 30 10 HDEE Cc1nc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282027277 OFJZVSKRBACSOM-LLVKDONJSA-N 400.331 1.010 30 10 HDEE Cn1c(Cl)cnc1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282332920 IFNWFWNJLPCDLW-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE COC1(OC)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282353014 SDWKGXZKYCNJJO-LBPRGKRZSA-N 403.331 1.477 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CCCN2)c1B1OC(C)(C)C(C)(C)O1 2282502127 GYTOQFYFJFYOHM-ZDUSSCGKSA-N 400.375 1.694 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC3CC(CO)C3)cc2Cl)OC1(C)C 2282841481 OIOIVWINBNHUMM-UHFFFAOYSA-N 421.777 1.998 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@H](N)CC2)OC1(C)C 2282848639 QBWVVOUBOVWTQJ-QWHCGFSZSA-N 400.375 1.986 30 10 HDEE C[C@H]1CNC[C@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869820 ISUUEHFAXLFHSS-STQMWFEESA-N 400.375 1.559 30 10 HDEE CCC[C@](C)(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284401142 FAZNZGPUDIESJW-INIZCTEOSA-N 403.331 1.969 30 10 HDEE C[C@H](CCC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284402867 LSVYJDOCHNKCLM-SNVBAGLBSA-N 404.319 1.115 30 10 HDEE COC[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)C[C@H](C#N)C(C)C)C1 2289501985 VZQDDNJLQMWRJU-OWCLPIDISA-N 403.545 1.974 30 10 HDEE C#CCOc1cn(CCO)c(CN2CCN(CC=Cc3ccccc3)CC2)cc1=O 2328930284 LHVVDGUMYHQAKA-UHFFFAOYSA-N 407.514 1.684 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CC[C@@H](NC(=O)OC(C)(C)C)C1 2365195917 GWQUWPNYDHMELE-HZPDHXFCSA-N 401.573 1.390 30 10 HDEE CCCN[C@@H](C#C[C@H]1[C@@H]2COC[C@H]12)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2367292007 WIYCDDOWXNECKJ-ZOFXXKQRSA-N 400.541 1.188 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367793641 WMFHUJNERUINRH-CVEARBPZSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)[C@@]1(C)CCN1C(=O)OC(C)(C)C 2367823874 JKSFARKISYSAFX-ZTFGCOKTSA-N 400.541 1.306 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC[C@@H](C(=O)N2CCOCC2)C1 25085804 PKZDSHNOBVGXGM-QGZVFWFLSA-N 424.505 1.248 30 10 HDEE C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)Cc1ccc(O)cc1)CC(C)=C1C(=O)C=C(CO)[C@H]12 85510874 UMVSOHBRAQTGQI-YCZSINBZSA-N 410.422 1.782 30 10 HDEE endogenous,in-man COc1ccccc1OCC#CCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 90729986 OFVBPSRESVSIAO-UHFFFAOYSA-N 402.472 1.758 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC[C@H](c2n[nH]c(-c3ccccc3)n2)C1 409495364 MOZHVZWQJFMTGF-KRWDZBQOSA-N 418.523 1.758 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H](Oc1ccccc1C#N)C(C)C 439922178 PMWYRFQEUMALBO-PTGCCPEKSA-N 414.458 1.913 30 10 HDEE N#Cc1ccc(N2CCN(C[C@@H](O)CN3C(=O)c4ccccc4C3=O)CC2)c(Cl)c1 444773135 CIEYZYKZVDKKIA-MRXNPFEDSA-N 424.888 1.991 30 10 HDEE C=CCNC(=O)Cc1noc([C@H]2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n1 445349551 OKFLCKAZRHPYNQ-ZDUSSCGKSA-N 409.468 1.087 30 10 HDEE Cc1nc(C)c(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 466115078 YDFCBJFVIAQFIE-UHFFFAOYSA-N 419.532 1.848 30 10 HDEE COC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 467068542 FNUNVIYNINQQAQ-CXAGYDPISA-N 416.869 1.423 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(CC(F)(F)F)cc2)CC1 478153643 SPPUIEYHVPGLTE-UHFFFAOYSA-N 405.442 1.400 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N(C)Cc2cnc(N(C)C)nc2)cc1 483596564 XXOANOOTYGIHJD-CYBMUJFWSA-N 402.480 1.892 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C#N)CC2)cs1 485414316 WLHIOCWLLPDTAO-ZDUSSCGKSA-N 420.516 1.624 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 485896260 GLOCZJFVUCEKAZ-RDJZCZTQSA-N 409.508 1.225 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)cn1 502195424 LOQTUEKQZPJACE-UHFFFAOYSA-N 408.842 1.892 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 522286995 ANIBUGLTDVSCMW-UHFFFAOYSA-N 423.627 1.368 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCc2ncccc2F)CC1 525986368 ZDXRVCKXPDDYRL-UHFFFAOYSA-N 403.439 1.308 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@@H](O)COC[C@H]2CCCO2)CC1 533342612 BWUPXLPNJRVTDG-HZPDHXFCSA-N 402.451 1.485 30 10 HDEE N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 539021092 QVOPNDZLITUULD-JOCHJYFZSA-N 405.502 1.936 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CCCC1 546065418 DRKWKBAYTQSXNW-OAHLLOKOSA-N 407.492 1.314 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 551064497 FCGMEYNGULQTHQ-MRXNPFEDSA-N 408.414 1.667 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)n1 553968520 CUQZHWFBSSHQOO-UHFFFAOYSA-N 403.874 1.209 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(CNS(C)(=O)=O)CC1 572169563 YNLMKOUFUMFJDZ-SFHVURJKSA-N 417.535 1.906 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 575369565 WLKBCJVWQVFYMC-WBVHZDCISA-N 405.524 1.994 30 10 HDEE CS(=O)(=O)NCc1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 609810532 XOFZCFLKICWYJG-UHFFFAOYSA-N 414.491 1.357 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1 610762326 VIFVXWWWWYDLJT-AWEZNQCLSA-N 401.471 1.059 30 10 HDEE C[C@H](C#N)CN(C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)C1CC1 611094762 WKSOHAXSVJLHNC-OAHLLOKOSA-N 405.524 1.779 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1NC(C)=O 612802569 FTFDYQBKLGYZAX-UHFFFAOYSA-N 415.475 1.431 30 10 HDEE C[C@@H](c1cccs1)n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O 727417454 KXPFDEBNEXTRIE-LBPRGKRZSA-N 411.508 1.955 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cc(C)ccc1F 727417812 JRHMPFDJMUUWLJ-UHFFFAOYSA-N 411.458 1.969 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2C2CCCC2)cn1 730143439 BOQOTUAFFZLAGB-INIZCTEOSA-N 406.556 1.845 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc(F)c(Cl)c2)c1C)[C@@H]1CCS(=O)(=O)C1 731186556 POZHLWDSKZMDKL-CYBMUJFWSA-N 410.858 1.631 30 10 HDEE CC(C)[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)n1nnc(-c2ccccc2)n1 732153163 GCPPLJBKRVZNKJ-PJCCXHTNSA-N 409.450 1.180 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)CC(=O)N2C)cc1 734919636 MNDBDCCEFKQDIQ-SCWSEQNSSA-N 401.463 1.812 30 10 HDEE O=C(COC(=O)CCN/C(O)=C1\N=CC=CC1=O)NC12CC3CC(CC(C3)C1)C2 741340821 HGGYZXLWYGCKBU-FMQUCBEESA-N 401.463 1.531 30 10 HDEE N#CCOc1ccc(Cl)cc1COC(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 745478760 NKZSRFBXUMVUEX-JHNDHUHGSA-N 404.806 1.448 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)c1cccc(C#N)c1)c1ccc(S(=O)(=O)N(C)C)cc1 752155251 MYGQRXZPVOYURG-ZDUSSCGKSA-N 421.500 1.417 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 760387657 DRBLDTVBCQUHAX-RBSFLKMASA-N 409.508 1.470 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 764461999 JXXLMUSRXUFWJJ-OAHLLOKOSA-N 414.487 1.700 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 778679940 SGFXZLGHGVTONV-MOPGFXCFSA-N 400.479 1.517 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(C(=O)NC3CC3)c2)n1 788880407 ZXJXMYLTHGRBHP-UHFFFAOYSA-N 409.490 1.767 30 10 HDEE C=CCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(S(C)(=O)=O)cc1 789968937 AEEADJCYQZRBAA-UHFFFAOYSA-N 402.505 1.718 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)n1 790107306 AMQWLDXKXBMVHQ-NRFANRHFSA-N 408.502 1.725 30 10 HDEE CCNC(=O)N1CC[C@@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2ccsc2)C1 790741356 HEFWROYPYMOIDN-OLZOCXBDSA-N 409.537 1.620 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](COc2ccccc2)C1 791149105 QYLUFSQIKSAQDS-INIZCTEOSA-N 415.471 1.032 30 10 HDEE CC(C)c1ccc(Cn2[nH]ccc2=NC(=O)COC(=O)[C@@H](C)n2cnc(C#N)n2)cc1 798739850 CWMBLCCSCFUMEN-OAHLLOKOSA-N 421.461 1.683 30 10 HDEE COC(=O)c1[nH]c(C=NNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1C 799878872 JDTUITNKMRVBKR-UHFFFAOYSA-N 419.507 1.492 30 10 HDEE C#C[C@H](NC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)c1ccc(F)cc1 812747553 DIIPXWNHAKVNPK-HNNXBMFYSA-N 409.421 1.621 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)c1 813981738 IPVKNKPWQZPBRX-NSHDSACASA-N 406.370 1.089 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 816694524 HVDZBIAKINBKFW-AWEZNQCLSA-N 415.899 1.625 30 10 HDEE C#CCN(C(=O)CSc1nncn1-c1ccc(C)c(C)c1)[C@H]1CCS(=O)(=O)C1 918756700 XHMVDOYJVFZVMB-KRWDZBQOSA-N 418.544 1.625 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1130018831 KADYFBVBSCZYFN-MSOLQXFVSA-N 411.483 1.878 30 10 HDEE C=CCN(C(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1142059122 ASKPOERBMIBBIH-UONOGXRCSA-N 406.570 1.835 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)OC(F)(F)O2 1142972046 KBKBZERVXQXGDR-LLVKDONJSA-N 423.397 1.863 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CSc3ccccc3O2)c1 1143234847 WQEPYXJQYUQGQO-HNNXBMFYSA-N 402.497 1.881 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCCN2Cc2cccc(F)c2)CC1 1144028579 USTUZEFXJQJTFD-NRFANRHFSA-N 414.525 1.464 30 10 HDEE CC(=O)c1cn(CC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)nn1 1146297314 FPXCRABXDLRZPN-UHFFFAOYSA-N 404.434 1.091 30 10 HDEE C#CCN1CCCN(C(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)CC1 1147291186 LLNQUGJIRHHHBW-UHFFFAOYSA-N 413.518 1.536 30 10 HDEE CCNC(=O)NCCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1159174346 BCKSOFWIKZSYSN-KRWDZBQOSA-N 415.494 1.828 30 10 HDEE COC(=O)C[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1166713014 WSZYKVUFLUBUNF-AWEZNQCLSA-N 407.492 1.211 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)cc1 1180324835 XSFLAEYTMTZLMR-DNVCBOLYSA-N 415.471 1.351 30 10 HDEE CC(C)CN(C[C@H](O)CC1(C#N)CCOCC1)c1c(O)nc(=O)n(CC(C)C)c1N 1192070073 HMIVKBNFUUCZSL-MRXNPFEDSA-N 421.542 1.721 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 1258312891 OOBAONBYKXSVJX-UHFFFAOYSA-N 421.500 1.058 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O 1278478621 WGBRBHCJEQXIAF-GJZGRUSLSA-N 405.495 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H]1COCCO1 1286276265 WMKPDJGEGGLTQO-OCCSQVGLSA-N 408.300 1.919 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(=O)NCCC 1286280335 XVSBVHUEGRJZAL-HNNXBMFYSA-N 417.535 1.723 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2CCNC(=O)C2CC2)c1 1286311906 NVELTGPILAEPBU-UHFFFAOYSA-N 420.517 1.813 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NC)CC1 1286323622 KJZUWTVOVFUQDR-UHFFFAOYSA-N 413.482 1.271 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CSCCS1 1286446026 CFCZLOSEPZZDPP-KGLIPLIRSA-N 400.595 1.488 30 10 HDEE C=C(C)Cn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286598471 LPJGBCXDCBVYIA-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1286645109 UXCLWQXTUWWGEJ-KSZLIROESA-N 402.543 1.885 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@](=O)CC)CC1 1286663142 GZHONCKTBXXMGW-SGANQWHYSA-N 400.570 1.351 30 10 HDEE C=CCCOCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1286710645 BIAGJUYBNXDXJH-MAUKXSAKSA-N 413.478 1.695 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)NC1CCCCC1 1286715216 XCLLFFPXZOXUGM-AWEZNQCLSA-N 412.560 1.350 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(S(C)(=O)=O)CCC1 1286760481 MXHRMADRZWPMPK-UHFFFAOYSA-N 407.540 1.546 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1 1286778952 BWTBRDCCOJLOFH-OAHLLOKOSA-N 418.404 1.577 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(C)(C)C)C1 1286819899 ZBYOGERNAZZONU-CABCVRRESA-N 409.556 1.702 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(C#N)o2)CCOC1 1288321828 MFDAGDCXNKRYDF-XLIONFOSSA-N 412.450 1.560 30 10 HDEE COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)c1 1289361459 HWELJJYTXJHKMB-HNNXBMFYSA-N 414.458 1.921 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOC1=O 1290975717 CUOSQSNCSHLYCU-HNNXBMFYSA-N 423.477 1.326 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1292291643 ZVMROQLLZVKXKE-UHFFFAOYSA-N 414.487 1.798 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 1293712528 GITIEZNCSLRGML-LJQANCHMSA-N 403.548 1.563 30 10 HDEE CCS(=O)(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1297639598 DZEKHVJRHWDILF-UHFFFAOYSA-N 417.535 1.991 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1300417461 UYQFKSKXCFQIDG-MRXNPFEDSA-N 422.580 1.565 30 10 HDEE C#CCCCn1c(N2CCN(C3CCOCC3)CC2)nnc1[C@@]1(OCC)CCOC1 1300425253 RWSINWBHQMZDEG-JOCHJYFZSA-N 417.554 1.645 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300485458 WSLCZJWFLGPCIW-RDJZCZTQSA-N 416.551 1.759 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@@H]1CN(CC(C)C)CCO1 1300665115 XTOZLOULBZTQSG-SFHVURJKSA-N 413.526 1.178 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCc2n[nH]c(C)n2)CC1 1300700974 CINFIDCAXZIJON-UHFFFAOYSA-N 408.485 1.432 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCOCC(=C)C)CC1 1300703750 RZFVRKNBTDJYMF-UHFFFAOYSA-N 419.533 1.865 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1301261067 ATXONXDWJGHOTQ-CEXWTWQISA-N 405.543 1.879 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cnnn2C)C1 1301544936 AZPYXBKPBOGWSQ-OAHLLOKOSA-N 400.874 1.952 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)N1CCCS(=O)(=O)C[C@H]1c1cnn(C)c1 1303544644 TUWUPGFTGWICOT-BEFAXECRSA-N 400.504 1.859 30 10 HDEE C[C@H](Cn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1303700311 DASJTFCZFFDWFQ-CVEARBPZSA-N 400.458 1.534 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(C(N)=O)c2)cs1 1304675789 LYIOLTLDLDDHLG-KRWDZBQOSA-N 423.502 1.510 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1306478626 BVKFJRKHFSCZAX-MXTKCAFNSA-N 404.540 1.323 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(Cc2cn3cc(Cl)ccc3n2)CC1 1312788961 NTLVZUSFYVOOGL-UHFFFAOYSA-N 402.930 1.770 30 10 HDEE CSCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1316459407 KWYBDMNJAUTNGN-WFASDCNBSA-N 404.537 1.473 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCOCc2ccccc2)CCO1 1316537527 CMOMPPVERSNAEY-MOPGFXCFSA-N 424.505 1.955 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)c2C#N)C1 1349230666 UVYPRTSKISXOHI-SNVBAGLBSA-N 405.505 1.827 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1358911013 IOCVEYTYHRLCFO-IIBYNOLFSA-N 401.511 1.807 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCC(=O)NC1CCCCC1 1358939849 HCVFPHZQRJBQOH-NRFANRHFSA-N 403.527 1.839 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358964093 SZRGUCNYITZKMJ-SJORKVTESA-N 423.583 1.408 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc3ccccc3o2)n1C[C@]1(O)CCS(=O)(=O)C1 1358972380 CLTPJBGCZMKHOT-OAQYLSRUSA-N 424.482 1.314 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCC[C@@H]1C 1359023187 CNKJWRSEGNMGEF-BTYIYWSLSA-N 415.494 1.643 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1359048511 SURXCNRKFLWGQP-DNVCBOLYSA-N 407.540 1.167 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](CCOC)C1 1359122097 XRUJHIMXKIMZDR-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1359122132 ZRXIWNURZVWJMO-FOIQADDNSA-N 420.510 1.993 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1359126602 UAMDJWPLGIAGIH-CVEARBPZSA-N 421.498 1.903 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)CC1 1359295687 KYNHDQDICNHADR-UHFFFAOYSA-N 406.849 1.366 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2nnc(C)s2)C1 1359312357 SUSMHTXWNKBHAD-OAHLLOKOSA-N 417.539 1.698 30 10 HDEE CC1(C)CN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1360823095 FAWPVPVQQKNPDC-HTXNQAPBSA-N 423.477 1.482 30 10 HDEE C=CCN(C(=O)[C@H](CCOC)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1435068804 LRCJFPIFZHKHMA-ROUUACIJSA-N 424.519 1.520 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N[C@H](C#N)c3ccc(Cl)cc3)CC2=O)cn1 1435829022 YWTTZUPMBVOQNA-WMLDXEAASA-N 401.854 1.917 30 10 HDEE C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1439612878 QDRWLSJEFMACIU-GDLVEWKHSA-N 413.839 1.412 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1452435753 GUXYXTLAIOCEJF-MOPGFXCFSA-N 405.516 1.924 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1455215864 XRFSNUHFOLUTRL-GGAORHGYSA-N 405.454 1.622 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1 1457036082 ZZNRISCKRXIGDL-ZWKOTPCHSA-N 406.504 1.446 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2nnn(Cc3ccc(OC)cc3)c2C)c1C#N 1457569414 NCLCCZWPPGBMGC-UHFFFAOYSA-N 408.466 1.643 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN(CCN(C)C)C(=O)C1 1460339524 MLHTXACSEKZFQE-HNNXBMFYSA-N 417.579 1.921 30 10 HDEE C=CC[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C(=O)OCC 1463500191 UFWIAGVRERMVPL-KRWDZBQOSA-N 422.507 1.877 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)cc1 1464031978 KQHMXFVBRDORIC-UHFFFAOYSA-N 407.402 1.433 30 10 HDEE N#Cc1ccc(NCC(=O)NCCNC(=O)c2ccc(Br)cc2)nc1 1464413578 VSJQOYWZFZRFQG-UHFFFAOYSA-N 402.252 1.674 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 1466404564 HLYJDQHIMVAIAD-ZRGWGRIASA-N 414.524 1.146 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)O1 1466486212 KDCXOGSKHBYZSF-SJORKVTESA-N 407.511 1.389 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)c1C#N 1471297278 QBEKONJRTVFXQI-DZGCQCFKSA-N 414.432 1.932 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C4CCC3(C(N)=O)CC4)C2)C1 1472172308 ABJCJAKXZXXLOS-INXBZDPDSA-N 402.495 1.782 30 10 HDEE COc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CC2)cn1 1472586992 SYGADDJZNRFDMN-UHFFFAOYSA-N 414.487 1.646 30 10 HDEE CCc1ccc(-c2nnc(N3CCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cc1 1497978430 DYOGJFJDLUUIKD-VZCXRCSSSA-N 422.489 1.871 30 10 HDEE C#CCCCn1c(CC)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1507591227 LOZXSMUJFJPCQQ-RTBURBONSA-N 400.571 1.880 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccc(OCCO)c(OC)c1 1507610617 HSGPBZMZLKRTQX-KRWDZBQOSA-N 400.479 1.670 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)C(=O)NCC 1507612268 WFIAACMZNCWRDK-UHFFFAOYSA-N 407.482 1.153 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1507621444 ANFYZMKNMPATDJ-GXTWGEPZSA-N 408.553 1.627 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507632935 BPFGRJZFVNTWFE-LAUBAEHRSA-N 414.531 1.301 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCCC2(F)F)CC1 1507723532 LOSVDRDNFDXSQI-HOTGVXAUSA-N 406.481 1.810 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1507757630 VWZVAOPPESKBDM-UHFFFAOYSA-N 406.556 1.565 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCn2ccnc2C)CC1 1507882405 SQDOPBHRRZHRIY-OAHLLOKOSA-N 407.544 1.640 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(c2ccnn2C)CC1 1508081669 MJJPSCNOZBAELX-UHFFFAOYSA-N 406.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508082567 ULCNFBAJYPJRNY-SFHVURJKSA-N 409.538 1.955 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccccc2O)nnc1[C@@]1(OCC)CCOC1 1508098261 NZPBJKIMAGTDKF-OAQYLSRUSA-N 415.494 1.574 30 10 HDEE CC1(C)C[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1510300675 BLYPPAWMXXHODW-KRWDZBQOSA-N 414.535 1.944 30 10 HDEE CCc1nnc(N(CCO)Cc2ccccc2)n1CCN/C(O)=C1\N=CC=CC1=O 1513818079 ASHWQRBVTXORKM-FMQUCBEESA-N 410.478 1.366 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCCCO 1517365343 KQMZVHZBQVJYAA-AWEZNQCLSA-N 423.315 1.937 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)CCO1 1518914626 MGDMREYBJKILBS-DYESRHJHSA-N 410.478 1.147 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)COc1ccc(OC)cc1 1522271391 PKBMHVAFZMQUNV-SBUWESJJSA-N 400.475 1.913 30 10 HDEE N#Cc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)cn1 1525153955 XNIRREKWGAHASP-UHFFFAOYSA-N 407.474 1.808 30 10 HDEE C=CC[C@]1(C(=O)NC[C@@]23COCCN2C(=O)COC3)CCCN1C(=O)OC(C)(C)C 1532280202 FQZWFMDSRPMKKM-LEWJYISDSA-N 423.510 1.076 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1539065904 MIEYUVBFBBTXJA-HOTGVXAUSA-N 407.540 1.436 30 10 HDEE CS(=O)(=O)c1cccnc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1539069371 CTJXQXWBCRVAHA-UHFFFAOYSA-N 400.460 1.872 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1539112336 MRASMRWPMSSYFB-HXUWFJFHSA-N 410.570 1.697 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC=C 1539154981 MSZBEKVMTVHIFO-UHFFFAOYSA-N 412.313 1.706 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(OC)CCOC1 1539299880 OKNFVMUISQYYNC-YADHBBJMSA-N 416.522 1.587 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CCC(C)(C)O)CC1 1539434255 FTSKZSQSZYNRMB-UHFFFAOYSA-N 421.343 1.952 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCN2CC=CCC2)CC1 1539434363 JGPDTRYOPXGCQW-UHFFFAOYSA-N 406.534 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2Cc2nccc(C(F)F)n2)CC1 1539463278 XUZITBMAFXBQEY-OAHLLOKOSA-N 403.437 1.661 30 10 HDEE CN1CCO[C@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3C)cc2)C1=O 1542161670 LYEZTRVBHKRITP-RRMQHPPMSA-N 422.507 1.075 30 10 HDEE CS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 1543821575 OQXFWHVBOJOZMF-LLVKDONJSA-N 400.298 1.722 30 10 HDEE O=C(C#Cc1cccs1)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 1544000264 RIODSOKJLQHZAY-UHFFFAOYSA-N 416.484 1.215 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1CNS(C)(=O)=O 1544568908 NXVUTXLMPYWIPO-LSDHHAIUSA-N 401.529 1.223 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1548184993 IWFVBERURZXFRU-SJLPKXTDSA-N 410.478 1.596 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1OC 1555670551 UOQJNYQAVFZPSY-WBVHZDCISA-N 401.467 1.788 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCOc2ccc(F)cc2)CCO1 1555993392 NUMOSYHCAZOXPW-DLBZAZTESA-N 414.441 1.566 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C)N(CCO)[C@H](C)C3)ccc2c1=O 1556640407 LGKMJKZIFDRXMG-OKILXGFUSA-N 402.520 1.398 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCCOc2ccc(F)c(Cl)c2)cc1 1556679230 KRLCSPUVYZXXJI-UHFFFAOYSA-N 411.842 1.824 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CCc2c(C)nn(-c3ccc(S(N)(=O)=O)cc3)c2C)C1 1557237400 CJOGSSVYDYSQQZ-QGZVFWFLSA-N 414.531 1.941 30 10 HDEE Cc1cc(Br)c(F)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1558806259 JJBXVSRBFNISSD-UHFFFAOYSA-N 407.199 1.728 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C1 1564961623 KAFCOAJMSRPNAV-UONOGXRCSA-N 407.452 1.303 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)CC(F)(F)F 1565033305 PQXNUDLFKGYGOR-UHFFFAOYSA-N 420.457 1.609 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CCCCN1Cc1cccc(F)c1 1565630341 XWEDIROQMMHKRQ-JLUOLNIDSA-N 400.454 1.823 30 10 HDEE CCn1cc(C(=O)NCC#CCO)c(=O)c2cc(Cl)c(N3CCN(C)CC3)cc21 1568142102 NFNMMPVYNJXTBQ-UHFFFAOYSA-N 416.909 1.152 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 1570380002 IHNGVXLAVSPCHG-UHFFFAOYSA-N 406.486 1.431 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1587567839 KVVVHODQORWVSL-PZBISTMVSA-N 404.511 1.726 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1CCCN(C)S(=O)(=O)CC 1587965814 TVUNZWXYQFIFDA-UHFFFAOYSA-N 405.524 1.695 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC(=O)N(C)CC 1588006026 AQPVKTWQHNYGHF-UHFFFAOYSA-N 423.565 1.191 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CCC 1588084937 XXAYOQIKILTCHV-ZWKOTPCHSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1588224042 NNVYOEXUJCGWIE-SFHVURJKSA-N 404.536 1.807 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2Cc2nnc(C)s2)CC1 1588946592 FQIFODWUNFEMIC-UHFFFAOYSA-N 401.540 1.651 30 10 HDEE C#CCSCCn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1589042631 IUZTVEQZIYLXDF-LJQANCHMSA-N 417.560 1.722 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)CC(C)(C)C1 1595551102 LVZAYOHOYMSUJE-LSDHHAIUSA-N 409.556 1.355 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@](C)(OC)C1 1595569362 FWSJNUBOWQXVMK-FQEVSTJZSA-N 401.515 1.447 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCn2cncn2)C1 1595738959 WFMQNGMUSZEIIU-SFHVURJKSA-N 409.494 1.951 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C(=O)CNc1ccc(C#N)cn1 1598060192 RWCSVUOAHWTSEB-UHFFFAOYSA-N 402.476 1.696 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CC1 1608060131 NBOAHESVYAGUPC-QZTJIDSGSA-N 418.542 1.136 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CCS1 1612929348 YYPWCPUWYWRVMZ-WMQDPJMESA-N 413.507 1.741 30 10 HDEE CCN1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@H](C)C#N)CC1 1615889011 QNPUHMPJRUACBP-MSOLQXFVSA-N 416.574 1.243 30 10 HDEE NC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2[C@H]1S/C(=N\c1ccccc1)N2Cc1cccs1 1616175305 UMDAHPJYDRFKHO-QZCHOAFHSA-N 403.529 1.949 30 10 HDEE COCCSc1ccc([C@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cc1 1616878150 LBKAISQUBITOBN-ZDUSSCGKSA-N 402.476 1.827 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1617631654 BYMXMOORXNZAPN-RTBURBONSA-N 412.542 1.918 30 10 HDEE N#C[C@]12CN(C(=O)c3cnc4ncc(Br)cc4c3)C[C@H]1CS(=O)(=O)C2 1618171922 STPGIZWTRHPQMJ-BLLLJJGKSA-N 421.276 1.403 30 10 HDEE COCCOCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1620072693 MKMQPFMZLIQAJR-LJQANCHMSA-N 420.445 1.501 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1620635816 ZUGCENVWVMRVQX-KFKAGJAMSA-N 413.540 1.009 30 10 HDEE C#CCNC(=O)CCN1CCN([C@](C)(CO)c2ccc(Br)cc2)CC1 1620642898 NIEGIGHSNMNXHW-LJQANCHMSA-N 408.340 1.414 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1622328005 IUWRGQDCRLNWRR-GFCCVEGCSA-N 410.677 1.408 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1ccc(OCC)c(S(=O)(=O)N2CCCCC2)c1 1622774068 SZFIQDSQPVYVGO-MRXNPFEDSA-N 409.508 1.766 30 10 HDEE C=CCNC(=O)CNC(=O)c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F 1624005798 OYUGFUXWUZHWLB-UHFFFAOYSA-N 409.414 1.798 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CNC(=O)OC(C)(C)C)c1 1624423950 LXWYUSZCSOJZKZ-OAHLLOKOSA-N 410.492 1.099 30 10 HDEE C=CCOC[C@@H](NC(=O)Cc1csc(NC(=O)c2ccccc2F)n1)C(=O)OC 1626204483 FNIOYLTZPQXBRV-OAHLLOKOSA-N 421.450 1.937 30 10 HDEE C=CCC[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1627752210 MPOBEBLPCHJWJM-ZFWWWQNUSA-N 407.492 1.518 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(CN3CCOCC3)n2)c1 1632064129 OEMDIQGMFDBVKR-UHFFFAOYSA-N 418.450 1.602 30 10 HDEE CC1(C)OC[C@@H]2C[C@@]21NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1632917957 XPLZGOWNXMJFGW-VBKZILBWSA-N 405.520 1.969 30 10 HDEE N#Cc1cn(CCNC(=O)[C@H]2CCCN(c3nc4ccccc4s3)C2)c(=O)nc1O 1633549914 DWTHLQXASWRGMW-ZDUSSCGKSA-N 424.486 1.463 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)C1 1634554704 GWGVUXRUHFEORT-IAGOWNOFSA-N 406.552 1.273 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)CC1 1636135895 VTKZBFKWYDVGPS-BMFZPTHFSA-N 400.435 1.413 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(NC4CCC4)CC3)C2=O)cc1 1636924299 YUHUZMBGMJIZMH-IBGZPJMESA-N 409.490 1.896 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1639840850 UHCUMJNNROBSBF-RBUKOAKNSA-N 403.523 1.902 30 10 HDEE C[C@@]1(C(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CCCS1(=O)=O 1640947085 GJZDJLYTADWIJG-FQEVSTJZSA-N 413.503 1.564 30 10 HDEE CCOC[C@@H]1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1643301883 NOZPQKGWKTWHQK-IRXDYDNUSA-N 400.435 1.027 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CC(F)(F)CO)CC2)CCCN1C(=O)OC(C)(C)C 1644003530 NMYOYNKDVRCQSP-IBGZPJMESA-N 415.481 1.551 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(CC(=O)N(C)C)CC1 1644518412 HWESFXGISWXKEL-KRWDZBQOSA-N 403.502 1.557 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN(C[C@H]3CCCS3(=O)=O)CC2)CC1 1648035608 NFKPUEDRFKEXOG-XTBIFASLSA-N 424.611 1.501 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3cc(C(F)(F)F)n[nH]3)C2=O)cc1 1650708757 NBMFWVGTFADBGD-CYBMUJFWSA-N 420.351 1.822 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@@H](n2nncc2I)C1 1650911625 YHGQFBHYNVRZKV-LLVKDONJSA-N 410.219 1.868 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1 1651193129 UQAMIZQNDWLANJ-OAHLLOKOSA-N 401.448 1.829 30 10 HDEE N#Cc1cccnc1N1CCN(c2nc(N)nc(C(F)(F)C(F)(F)F)n2)CC1 1651335241 RARXKEGABQEFSZ-UHFFFAOYSA-N 400.315 1.701 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1653053756 RDPLLZDQDNWBCR-UHFFFAOYSA-N 413.540 1.131 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC1 1671881001 ZQRPVRHWXUACEK-GUMHCPJTSA-N 413.522 1.884 30 10 HDEE C#CCC1(O)CCN(C(=O)NC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1682195682 PUDJWPJXYYFKQM-UHFFFAOYSA-N 419.547 1.708 30 10 HDEE Cc1cncc(CCNC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)n1 1682791433 OJOKSJJJANWPRP-UHFFFAOYSA-N 404.478 1.899 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 1684303680 CWLFDFGSYXYFLC-LBPRGKRZSA-N 419.425 1.158 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)NCCc3nnc(S)n3C3CC3)CC2)cc1 1686916400 HYOHCOLXXMWCDX-UHFFFAOYSA-N 411.535 1.843 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(-c3nc(C(=O)OCC)n[nH]3)c2)C1 1687593437 QFVLFPOIATYJCL-QGZVFWFLSA-N 410.478 1.545 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1689907755 KSXMXDZZYKFMAB-OAHLLOKOSA-N 400.483 1.454 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1689946356 PSBQHGZAOXGLDP-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1csc(C)n1)[C@@H]1CCS(=O)(=O)C1 1689988366 NOPOCNYZGLSRIV-MRXNPFEDSA-N 405.549 1.790 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCCNS(C)(=O)=O 1690009224 YIZWDIUTKPOBAC-UHFFFAOYSA-N 423.901 1.750 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)CN(C)C)CC1 1690110402 KTFVABLFHHSDOD-UHFFFAOYSA-N 424.553 1.268 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCS2)CC1 1690130398 FQFRMYROHMATGA-QGZVFWFLSA-N 402.568 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCC(=O)N[C@@H](C)CC)CC1 1690143961 HSDGDNWULZNQET-INIZCTEOSA-N 414.554 1.816 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC)C1CC1 1690545157 KTFXKHJYTWJBMT-ZMSDIMECSA-N 410.540 1.387 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1690665525 HAQYMQZVWCITHZ-HOTGVXAUSA-N 413.434 1.370 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(C)CCCS(C)(=O)=O 1690666958 MFLZWOINYXZQHP-UHFFFAOYSA-N 409.487 1.257 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1692845681 HKGHEBHHRSAUPK-OXJNMPFZSA-N 414.535 1.829 30 10 HDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1698424265 JPRWZOXDLFHTSD-UHFFFAOYSA-N 422.580 1.897 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(S(C)(=O)=O)CCCC1 1705504099 MSQBNWNEYWELJP-IKGGRYGDSA-N 424.567 1.817 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](C)OC)c1 1705505774 SPXXXLCDUXYTQE-HNNXBMFYSA-N 407.478 1.770 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1CCS(=O)(=O)CC1 1705617489 WMCILCMJROZPSU-UHFFFAOYSA-N 404.540 1.424 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 1705769192 LTFPFBMOPWTXGD-KRWDZBQOSA-N 415.519 1.484 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCN2CCCO)C1 1705918375 IDMSXEYQZPDLBJ-VQTJNVASSA-N 412.538 1.968 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C[C@H](C(F)(F)F)O1 1708199902 FAQCALYYQQHMTL-LERXQTSPSA-N 424.383 1.898 30 10 HDEE CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1709982028 PPPWTGVCRRRTPU-RMYFCYLKSA-N 415.498 1.238 30 10 HDEE CO[C@@H](C)Cn1c(Cc2ccncc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711518778 FVCXTZKMQLWYGI-KRWDZBQOSA-N 418.505 1.892 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1(N2CCOCC2)CC1 1712454632 QGXVHYWWBZTNTB-GOSISDBHSA-N 418.542 1.403 30 10 HDEE CS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1712700229 CSPOOHAHORJNOB-SFHVURJKSA-N 402.455 1.913 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CC(=O)N1CCOCC1 1722322272 HZYQOTNNZGKPTH-HKUYNNGSSA-N 419.526 1.101 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)OC(C)(C)C 1722352898 QSMOADBNRTTWKM-CQSZACIVSA-N 411.528 1.164 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C 1722475585 VTICDXGBQNIXNS-OXJNMPFZSA-N 421.567 1.335 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722522388 NFCORDPJXOUKKQ-MRXNPFEDSA-N 402.499 1.023 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722543331 OTCDGPVGANKQRA-UONOGXRCSA-N 406.936 1.768 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722739936 MLYYMDIYAGMQMA-LJQANCHMSA-N 409.556 1.564 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CCOC(C)(C)C1 1723582393 FQQIPSWVBISBDD-UHFFFAOYSA-N 417.558 1.657 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNS(C)(=O)=O 1723778783 FCNDYXUJVAHVPQ-GFCCVEGCSA-N 412.466 1.435 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1724057304 PLRVSMAYMKLINA-JKSUJKDBSA-N 414.466 1.232 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCN(C)CC(F)(F)F 1727607877 PLLIARWKZRHBHY-UHFFFAOYSA-N 422.459 1.928 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCNC(=O)C(C)C 1730853541 USQWSTUKRMHGFV-OXJNMPFZSA-N 406.531 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(C)[C@H](C)CC)CC1 1740704370 MRCZWQAHWDJEPC-QGZVFWFLSA-N 424.553 1.431 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCCN1CCOC1=O 1740734154 RRHVXINNRGBINY-HXUWFJFHSA-N 400.483 1.235 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnn(CC)c1 1740954497 NXDWWLPKPUJOKM-UHFFFAOYSA-N 404.478 1.972 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1740955154 NRBMRRHTAYVVAD-OAQYLSRUSA-N 413.478 1.252 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](CCOC)C1 1740959140 LLGWVJFSJCZCRR-CQSZACIVSA-N 416.482 1.171 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1741004744 LGPPQSCJOCSHDC-DNVCBOLYSA-N 409.556 1.551 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)no1 1742128235 IEKQACAYYFQIIU-KRWDZBQOSA-N 412.475 1.785 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1748785452 XNMHLHAMKJIWNM-MRXNPFEDSA-N 424.505 1.796 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1749037882 HOMNDIGCRZZPMI-KXBFYZLASA-N 405.524 1.569 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCc2nn(C)c(=O)cc2C1 1749141317 YOUBDSMJLHIZCX-YWZLYKJASA-N 414.510 1.452 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1749655705 PWFXUSWRAYZKOQ-INIZCTEOSA-N 410.478 1.067 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CCOC)[C@H](CC)C1 1749657894 FIYFUYCXIGKUFN-QGZVFWFLSA-N 416.526 1.696 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1749671448 AYAHLUKQTDLZQO-CYBMUJFWSA-N 402.405 1.178 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2CCS(=O)(=O)CC)c1 1760128015 UTAXAAIMVRYCOK-UHFFFAOYSA-N 403.508 1.331 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760148382 YCBPDYWQYDDGJU-UHFFFAOYSA-N 422.489 1.888 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1760151840 QDDXEUCLPUGSLF-MRXNPFEDSA-N 402.524 1.519 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1760248352 JMVKKQOGEYLIGT-QGZVFWFLSA-N 410.526 1.742 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1760334668 KSJKUABRHMRMNO-LNLFQRSKSA-N 414.510 1.596 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccoc2C)nnc1[C@@]1(OCC)CCOC1 1760528282 XUYGIGUHHGVLOC-HXUWFJFHSA-N 403.483 1.770 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1760555482 GORSYSCTXIFJSM-QZTJIDSGSA-N 424.567 1.778 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCOc3ccccc3)CC2)c1C#N 1762399907 GUTZPIBQVMPFEE-UHFFFAOYSA-N 406.494 1.906 30 10 HDEE CCN(CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)C(C)C 1765276163 VNLFDJWHRXUSGT-NQIIRXRSSA-N 420.558 1.778 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1767574618 HDAGEGXTBBSCRO-KRWDZBQOSA-N 407.522 1.897 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)CCO1 1767707131 GKQBRRPDLZZUBE-CZUORRHYSA-N 400.508 1.519 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1769453549 GJEXWNGZILOYOW-INIZCTEOSA-N 418.523 1.229 30 10 HDEE CCCn1c(C(=O)NCC#CCN2CCCCCC2)cc2c(=O)n(C)c(=O)n(C)c21 1850013340 VXTXHSVCHICNFU-UHFFFAOYSA-N 413.522 1.058 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)nc1C 1852091787 OBPKKNSWJVYHCS-CQSZACIVSA-N 404.492 1.631 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)NC1=O 1853355410 UELYDGKEZCVTIH-NSHDSACASA-N 402.838 1.322 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ccc(OCC)nc2)C1=O 1853789309 DZJHRVTZZQYMLG-IRXDYDNUSA-N 400.479 1.330 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@H](C(=O)c4cccnc4)C3)C2=O)ccn1 1854145732 QYWSLOVJSSAGEO-HKUYNNGSSA-N 403.442 1.684 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc(C)cnc2C(F)(F)F)C1=O 1854194779 VZNPJCUIQWBSQK-GJZGRUSLSA-N 424.423 1.869 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cncc(N(C)C)c2)C1=O)[C@@H]1CCN(C)C1=O 1854225174 URFISFSRIXIRSL-RBUKOAKNSA-N 413.522 1.388 30 10 HDEE Cc1ccccc1CN1CC[C@@H](N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)C1 1854243760 ICZXCEBMSJMOKA-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CC[C@H](c3ccccc3F)S(=O)(=O)CC2)C1=O 1854357338 XNJYEJQUZWHKSJ-DLBZAZTESA-N 407.467 1.419 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)C1=O 1854651726 VXQUAXMHPCKFOC-WMZOPIPTSA-N 401.511 1.022 30 10 HDEE Cc1nc2ccc(F)cc2cc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854812678 CMNYAUOULABRIE-GFCCVEGCSA-N 404.423 1.209 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cccn1 1855447821 MMBLEBRRFJQBQF-UZLBHIALSA-N 407.474 1.987 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCN(C(=O)CCn4ccnc4)C3=O)CC2)cc1 1855458809 XAOSHQRGXCGEAS-HXUWFJFHSA-N 407.474 1.816 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@H](N3CCc4ccc(OC)cc4C3)C2=O)CC1=O 1856544219 GRAFUIGQVKNHRI-ICSRJNTNSA-N 411.502 1.605 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C(=O)C1(C)C 1856767405 HRADEIDDDCHKLD-HUUCEWRRSA-N 410.478 1.494 30 10 HDEE N#CCC1CCN(C[C@H]2CCC(=O)N(C(=O)Cn3c(=O)oc4ccccc43)C2)CC1 1856983688 OODUSWRWFPKWOF-QGZVFWFLSA-N 410.474 1.985 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cnc4ccccn4c3=O)C1)CC2 1857207712 RTEIYTAGNDCABM-JKSUJKDBSA-N 405.458 1.309 30 10 HDEE N#CCCCN1CC[C@@H](N2CCN(C(=O)COc3ccccc3Cl)C(=O)C2)C1 1857220253 NUMTWIBEZCVSHY-MRXNPFEDSA-N 404.898 1.768 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(Cc4cn(C)nn4)CC3)CC2=O)cc1C#N 1857241871 USGSBJDFQJPGCF-IBGZPJMESA-N 406.490 1.896 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nc4c(s3)CCC4)C(C)(C)C2=O)CC1=O 1857315188 KVLIAKJCKQIWPF-AWEZNQCLSA-N 416.547 1.616 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)c1 1858335473 NLWRDZUYFGILMY-CQSZACIVSA-N 411.443 1.333 30 10 HDEE COc1cccc(CCNC(=O)[C@@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)c1 1858422311 QXVGTACDPANCMY-GOSISDBHSA-N 413.499 1.936 30 10 HDEE C=CCOc1cn(CCCN(CC)CC)c(CN2CCN(CCO)CC2)cc1=O 1870385947 SZOHQTVJGVMZFA-UHFFFAOYSA-N 406.571 1.255 30 10 HDEE NC(=O)CSc1nnc(C2CC2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCCO2 1874520843 YBWLZMHNBBLLPJ-CNHKJKLMSA-N 404.408 1.295 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3nccc4ncccc34)CC2)CC1 1889470891 FMNHFDWNKUJLFK-UHFFFAOYSA-N 407.518 1.502 30 10 HDEE C[C@@H](C#CC(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1901976351 NQSNHBXPCXIGNL-KSFYIVLOSA-N 415.490 1.749 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985201944 DWFDYKAPPAAIOC-MOPGFXCFSA-N 415.538 1.678 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@H](O)C1 1990032069 GFWLKTWDHQJQKX-NPPFBWRTSA-N 414.506 1.641 30 10 HDEE N#CCc1cccc(C[S@](=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)n1 2074681605 USNMVWKQWIFGOB-UULLZXFKSA-N 401.444 1.776 30 10 HDEE C#CCNC(=O)[C@@H](C)[S@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074690561 KYLPITKUDKYJGI-XYQNDFJNSA-N 408.476 1.031 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@](C)(=O)=NS(=O)(=O)c2ccc(C#N)nc2)C1 2118168718 MJTGMMZUTKUPEG-VWLOTQADSA-N 400.482 1.359 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)Nc1ccc(C#N)c(Br)c1 2124718877 FHDRORORHIRCKY-CYBMUJFWSA-N 423.267 1.995 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](NS(=O)(=O)c1ccc(N)cc1C#N)C(F)(F)F 2162584972 RDROGXWKWJNVEP-LBPRGKRZSA-N 408.402 1.874 30 10 HDEE CC(C)(C)OC(=O)NC[C@@](C)(NS(=O)(=O)CC1(C#N)CCOCC1)C1CC1 2174782943 WPSBCQYYNCNBTP-QGZVFWFLSA-N 401.529 1.920 30 10 HDEE C#CCN(C(=O)C1(NC(=O)OC(C)(C)C)CC(F)(F)C1)[C@H]1CCS(=O)(=O)C1 2180139744 KPDTWZCOCJVQNZ-LBPRGKRZSA-N 406.451 1.328 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Br)C(=O)NCC#CCO 2221683875 URTXEFJUZRPDRH-HNNXBMFYSA-N 411.296 1.997 30 10 HDEE CC(C)(C)OC(=O)NCCCN1CCN(S(=O)(=O)c2ccc(C#N)s2)CC1 2234452172 BCGYHDXKMHILRD-UHFFFAOYSA-N 414.553 1.841 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)[C@H](O)C(F)(F)F 2241351923 NPYCFKWJORIBFB-QWRGUYRKSA-N 418.324 1.557 30 10 HDEE Cc1nc(NC(=O)[C@H](C)ONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248398444 UFGMVXIXWOVTBR-LBPRGKRZSA-N 422.291 1.868 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCCC34OCCO4)c2)OC1(C)C 2255753784 SQTIYWDXGNVKOT-ZDUSSCGKSA-N 415.342 1.621 30 10 HDEE COC[C@@H]1CNCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281974306 WSWWJFSPHGRKMX-NSHDSACASA-N 400.737 1.761 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCN3CCCCC3)s2)OC1(C)C 2282331804 RYOIYBRAAPGABA-UHFFFAOYSA-N 400.375 1.812 30 10 HDEE CCOCCOCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282341112 NXGPOLRXHUUVAL-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2CCC(O)CC2)OC1(C)C 2282341416 RUBLLLALUXXZOL-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CCC[C@H]2O)OC1(C)C 2282494666 ATPHIWHZSXIIKY-ZIAGYGMSSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@@]2(C)CN)OC1(C)C 2282497437 PVUQRWPRPKETTD-KRWDZBQOSA-N 400.375 1.690 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCCNC2)OC1(C)C 2282497632 SNLIWMHSTFSCBB-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282501095 SEUCIDAMNHUUKA-ZDUSSCGKSA-N 403.331 1.523 30 10 HDEE Cn1ncc(C(=O)N2CCCC[C@H]2C2(C)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282569803 WYAFBVXKBBLUPF-HNNXBMFYSA-N 405.304 1.477 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282703526 XKDPKEKYFKDSCK-NSHDSACASA-N 402.347 1.057 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]23CO[C@](C)(C2)C3)OC1(C)C 2282843519 OUVNNEUQMPXHCF-WKILWMFISA-N 400.331 1.183 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CCC(CO)CC3)s2)OC1(C)C 2282849498 BZWJHKIWUCFODK-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE COC[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1=O 2282852028 KJYMNIRJXMJDJJ-NSHDSACASA-N 401.315 1.231 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H](C)CN1 2282853079 YEXJUXMWUIPZSP-OLZOCXBDSA-N 400.375 1.666 30 10 HDEE CN(C)CC(C)(C)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882988 UDMOEXXMTSRKMX-UHFFFAOYSA-N 402.391 1.913 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NS(=O)(=O)C3CC3)ccc2Cl)OC1(C)C 2284395020 GKWXYTWWUICFSQ-UHFFFAOYSA-N 421.733 1.410 30 10 HDEE CC[C@@H]1C[C@@]1(NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284405998 SIAZHXSBHXCXOI-HWPZZCPQSA-N 401.315 1.579 30 10 HDEE Cn1nnc(Br)c1[C@H](O)[C@H](N)C#Cc1ccc(Br)cc1 2296290860 IBFVJFSREKXPAM-ZYHUDNBSSA-N 400.074 1.753 30 10 HDEE O=c1c(Br)c(NN=Cc2cccnc2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659608 BCXLKNDYKGCKMR-LLVKDONJSA-N 412.269 1.206 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2N=Cc2cccnc2)o1 2330752712 YSETUWUACJEGJH-UHFFFAOYSA-N 414.447 1.863 30 10 HDEE CC[C@]1(C)N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365211563 MOBYEBNBHMUKRD-CCKFTAQKSA-N 402.557 1.681 30 10 HDEE CN[C@@H](C#Cc1cnn(CCOC)c1)[C@@]1(O)CCN(C(=O)OCc2ccccc2)C1 2366094206 KICKSZZZKYXWSZ-RBBKRZOGSA-N 412.490 1.243 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(COC)CCCN1C(=O)OC(C)(C)C 2367796352 PUJIFWAETMJGEP-KXBFYZLASA-N 400.541 1.571 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)[C@](CC)(CCNC(=O)OC(C)(C)C)C(=O)O 2375202347 XTYNZNXJPJCEGD-KBXCAEBGSA-N 402.513 1.257 30 10 HDEE C#CCn1/c(=N/C(=O)[C@@H]2CCCCN2S(C)(=O)=O)sc2cc([N+](=O)[O-])ccc21 13794938 HEGWYBXKWDNKPF-DNZUHHBVSA-N 422.488 1.486 30 10 HDEE O=C1/C(=C\c2ccc3c(c2)OCO3)Oc2c1ccc(O)c2CN1CCN(CCO)CC1 19371178 FDYHAZMPBGFPFV-CIAFOILYSA-N 424.453 1.847 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc(F)c3)n[nH]2)cn1 59886639 LJIJCPAGUQRSQK-UFWORHAWSA-N 418.458 1.964 30 10 HDEE C#CCN(CCS(=O)(=O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 111045818 QXMKHPRERMBGAG-CQSZACIVSA-N 420.350 1.345 30 10 HDEE N/C(=N\O)[C@H]1CN(C(=O)c2cc(Br)c(Br)s2)CCO1 128897016 PSUUTXWBQXVIPD-ZCFIWIBFSA-N 413.091 1.861 30 10 HDEE N#C[C@@]1([C@H](O)c2ncc(Br)cc2Br)CCS(=O)(=O)C1 135404518 JEMCHDKNIWGTIS-MNOVXSKESA-N 410.087 1.968 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 254488645 NUCJUNLGIPQTEI-PMPSAXMXSA-N 408.501 1.670 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(CCCC2(C#N)CCOCC2)CC1 410348012 GGXWUEJTJXZKFX-UHFFFAOYSA-N 406.552 1.817 30 10 HDEE COc1cc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc(OC)c1O 427510354 XPUKHSVMOZXHNZ-UHFFFAOYSA-N 419.459 1.450 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)C(C)(C)Oc1ccc(C#N)cc1 439892703 IDKJDGHZQWRSOE-QBPKDAKJSA-N 400.431 1.667 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 460790336 CDVDITJHYYKBFG-SFHVURJKSA-N 420.558 1.323 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)NC(C)=O)cc1 465188404 UCUNLESXEIHMIN-DNVCBOLYSA-N 422.489 1.661 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H](NC(=O)c3ccccn3)C(C)C)CC2)c1C#N 471710184 YZZKOMBSNGXFKK-SFHVURJKSA-N 409.494 1.098 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)CCC1 477571698 NBECIOSXTALWGY-GOSISDBHSA-N 402.520 1.433 30 10 HDEE COc1ccc(CN2CC[C@@H](NS(=O)(=O)c3cnc(C)c(C#N)c3)C2=O)cc1 489426620 BEXGJFWADFUIJV-GOSISDBHSA-N 400.460 1.350 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 506654353 UMDOVMPTMHWWEV-HZPDHXFCSA-N 409.508 1.560 30 10 HDEE O=C(CN(CC(=O)NCC(F)(F)F)Cc1ccccc1F)NCC(F)(F)F 507425155 VNCBKPLERZFFOW-UHFFFAOYSA-N 403.298 1.985 30 10 HDEE C[C@@H]1CCCCCN1CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 512169652 IOZCKCLQPBOPQM-QGZVFWFLSA-N 404.536 1.656 30 10 HDEE CN1CCC(C#N)(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 518817413 YOCHXWBFCCSJHZ-UHFFFAOYSA-N 424.954 1.845 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccccc2F)c2nccn2C)CC1 524496209 JHSLCEMOHWFEDS-LJQANCHMSA-N 414.485 1.278 30 10 HDEE CN(CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1)[C@@H]1CCN(C2CC2)C1 532982395 LHOVNHFQBHYFQV-QGZVFWFLSA-N 424.505 1.623 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)C1=O 538651304 FBHNDKFHZGWPTE-HNNXBMFYSA-N 422.445 1.155 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@@H](CC(N)=O)C1CCOCC1 543489574 CGHYYTAQTDENAT-RDJZCZTQSA-N 402.495 1.591 30 10 HDEE CC(C)(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)o1 545462335 CGTAKMWXRZGVBI-UHFFFAOYSA-N 417.491 1.585 30 10 HDEE N#Cc1ccc2c(c1)N(S(=O)(=O)c1ccc(N3C[C@H](C(=O)O)CC3=O)cc1)CC2 550419521 HYFRMKZKSKAISW-OAHLLOKOSA-N 411.439 1.747 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1 557075072 YYFSVMOXBFVHQW-AWEZNQCLSA-N 410.396 1.595 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)N1CCC(C#N)(c2ccccn2)CC1 558565220 ZQRXJKWFPOMKDU-HUUCEWRRSA-N 401.467 1.105 30 10 HDEE CCn1c(-c2ccc[nH]2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 558828990 NQGJLEBDGKTQLN-UHFFFAOYSA-N 411.491 1.676 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@H]3c3ccccc3)CC2)o1 562048011 WORXXCUERYUKHP-NQIIRXRSSA-N 408.506 1.538 30 10 HDEE C=CCn1c(CCN2CCN(c3ccccc3)CC2)nnc1N1CCN(CC)CC1 569611791 NJMTUYVTAHTZCW-UHFFFAOYSA-N 409.582 1.971 30 10 HDEE CC(C)[C@H](C#N)N1CCN(CC(=O)N2CCC(NC(=O)c3ccccc3)CC2)CC1 609537607 BXLSCDJMYDMETG-NRFANRHFSA-N 411.550 1.573 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 669808030 GFZORXBBRXHMHQ-UHFFFAOYSA-N 406.494 1.884 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)C1=O 684987193 BPKAQVYHBCAKRQ-VIFPVBQESA-N 410.343 1.691 30 10 HDEE Cc1ccc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)cc1C#CCCO 703968833 HBZKWXXPHXBFAG-UHFFFAOYSA-N 412.467 1.767 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1coc(-c2ccc(F)cc2)n1 732458501 IDKGBSOZXJQBOQ-ISLYRVAYSA-N 413.409 1.849 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCCc1coc(-c2ccc(F)cc2)n1 732458502 IDKGBSOZXJQBOQ-ZCXUNETKSA-N 413.409 1.849 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 741725516 DPNGAIGCYHGJBW-UHFFFAOYSA-N 410.398 1.814 30 10 HDEE N#C[C@@H](C(=O)CN1CCC[C@@H](C(=O)N2CCCC2)C1)c1nc(O)c2ccccc2n1 741788851 IGSIAQKRZNWLCR-WBVHZDCISA-N 407.474 1.846 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(N2CCc3ccccc3C2)CC1 746177148 BPAHIWYHHMSKGP-GHVJWSGMSA-N 408.502 1.952 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 746306867 HCIAHNFIBSSMTJ-FMQUCBEESA-N 411.462 1.588 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(NC(=O)OC(C)(C)C)CCCCC2)CC1 746822732 HPVSLCYLLXDUEF-UHFFFAOYSA-N 408.543 1.660 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H]2CCN(c3sccc3C#N)C2=O)c1 751633705 GGFXLKVDIDTNJM-CQSZACIVSA-N 423.447 1.629 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3OC)C2)cc1 757011171 RRGBWNVGPBEYEA-QGZVFWFLSA-N 413.499 1.615 30 10 HDEE Cc1ccc(NC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)NC1CC1 757865507 HKSWDUYNMDCOQL-KRWDZBQOSA-N 403.508 1.640 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(CCO)CCOC1 762568680 HZFUTGRPHAMHSF-OXJNMPFZSA-N 423.535 1.189 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 766233978 PQCGLKTVMCWITD-MRXNPFEDSA-N 423.491 1.530 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3cccc(OC)c3)C2)c1 766635921 JPXOJORYIFDXQU-FQEVSTJZSA-N 414.483 1.820 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)cc1 769228928 XRQXAJXAOPGDHL-AJNNJPABSA-N 422.507 1.523 30 10 HDEE COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 773968744 HHOZQWZJRNDKEC-GDBMZVCRSA-N 422.507 1.475 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccccc2C#N)[C@H](C)O)cc1C 777291467 SMAXQJSECAJHDF-KXBFYZLASA-N 402.472 1.946 30 10 HDEE CCc1ccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)cc1 786689135 RYHHJXOHJRGXDY-MRXNPFEDSA-N 423.560 1.751 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2cc(C)n(-c3ccccc3[N+](=O)[O-])c2=O)n1 788368948 CJOXFPPQERXJCN-UHFFFAOYSA-N 424.461 1.791 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC(C(=O)NCCO)CC2)CCCN1C(=O)OC(C)(C)C 790793582 JGTPNPIJGVSCHD-NRFANRHFSA-N 409.527 1.679 30 10 HDEE CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)c1 797631489 UGZDVHOZEJVPBN-GFCCVEGCSA-N 411.436 1.532 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCS(=O)(=O)CCc2ccccc2)cc1 799934296 UAYWFMAFQGRKGI-UHFFFAOYSA-N 401.488 1.894 30 10 HDEE C[C@@H](NC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1ccc(N2CCCC2=O)cc1 803594241 IZKNVCUBQIYSBQ-OAHLLOKOSA-N 420.473 1.486 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(c3nc(F)c(F)cc3F)CC2)c(F)c1 804157795 FQRJWAXOVZSEHA-UHFFFAOYSA-N 421.354 1.475 30 10 HDEE N#Cc1ccc(NCCNC(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)nc1 806413295 ZTZBWHHMPVXMGP-IRXDYDNUSA-N 420.473 1.584 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 813746783 FUCHJTNLKBPATD-UHFFFAOYSA-N 400.483 1.748 30 10 HDEE N#CC1(CC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 815412154 RSJLATXOMBGEQH-UHFFFAOYSA-N 402.426 1.145 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2ccc(Cl)cc2)C1 819217728 NIQXVOAEXCISSS-INIZCTEOSA-N 419.890 1.979 30 10 HDEE CCCC(C)=NNc1nc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n[nH]1 1084027261 SGJBVCBJZSXLGH-UHFFFAOYSA-N 411.513 1.771 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C)C2)cn1C)C1CCOCC1 1131468612 HLVJOJDWKRRNAA-YJBOKZPZSA-N 407.536 1.604 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCO1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1133409709 ZNKDWZQKFUGZJE-MSOLQXFVSA-N 401.463 1.940 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccn(CCn4cccn4)n3)C2=O)cc1 1139811113 DQKXFABNZDEONR-IBGZPJMESA-N 403.446 1.182 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)[C@H]3CCC[C@H]32)CC1 1158083807 GPAQBVBPLJGEFD-SJORKVTESA-N 410.536 1.815 30 10 HDEE C=CCN(CCC(=O)Nc1ccccc1C(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1167733771 CXIFJYKBQHDGDR-INIZCTEOSA-N 405.520 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2nccc2NC(=O)CNC(=O)c2ccc(C#N)cc2)C1 1180100015 RWRWWFULCSDZJS-UHFFFAOYSA-N 424.461 1.915 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OCC 1211880832 DIKVGHCEIKGMKM-VIFPVBQESA-N 415.942 1.981 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1213440104 DYQNPUGPNTXKBR-UHFFFAOYSA-N 410.499 1.985 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NCCN3C[C@H]4CCCCN4C3=O)C2=O)cc1 1248375896 QGMWRZOCJHIFAY-MOPGFXCFSA-N 424.505 1.248 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N(CC#C)CC#C 1286340389 ZXUSTKCXRTXXIC-UHFFFAOYSA-N 409.515 1.682 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)Oc1cccc(OC)c1 1286414708 DABIJHZYUVUAHZ-GOSISDBHSA-N 421.501 1.949 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC(=O)NC(C)C)C1 1286798922 PQBXCRPVYDDKMJ-HNNXBMFYSA-N 413.482 1.231 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1287131672 XJXZMYUPSLJEIA-UHFFFAOYSA-N 415.542 1.693 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@@H]2COCCO2)CCOC1 1288303787 ZJNZTSUMYYDZEV-UTKZUKDTSA-N 419.526 1.864 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1296066649 DXTGQKITVREAPQ-MBOZVWFJSA-N 420.583 1.795 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1Cc1cnn(C)c1 1300302908 FFNCCTKRAVFQAV-OAHLLOKOSA-N 416.489 1.915 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1300316664 BEBWUNMJWGZPQY-AWEZNQCLSA-N 400.508 1.357 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC(=O)Nc1ccc(F)cc1 1300575121 RLOVGNCQVPZBKF-UHFFFAOYSA-N 405.437 1.919 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1300601968 MYQBQUQMVIYXFP-CYBMUJFWSA-N 411.478 1.869 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CC(=O)N1CCOCC1 1300602435 QYYZMHGTDSEVFZ-MRXNPFEDSA-N 415.469 1.876 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)N(C)C 1300664485 RDHQDPKSOHNJQV-MRXNPFEDSA-N 423.521 1.228 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@](C)(O)C(C)C)CC1 1300691352 VQPJTDMFGRHSDL-QFIPXVFZSA-N 411.506 1.836 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCCC)nc2)CC1 1300699375 BZOHLTIKBOXXRM-LJQANCHMSA-N 410.522 1.769 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300734577 XVZDVERDYIGLTO-HNNXBMFYSA-N 404.540 1.535 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCS(=O)(=O)NC)CC1 1301070990 SWAUNXSUPVNQFK-SFHVURJKSA-N 413.544 1.024 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@@]1(O)CCN(C)C1 1301417260 QENLPXCOVLUVCK-OAQYLSRUSA-N 401.511 1.659 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](COC(C)C)C1 1301508385 JIFWHUKOPVUJAE-SFHVURJKSA-N 414.510 1.196 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCC(O)(CN(C)C)CC3)ccc2c1=O 1301747226 UYSJKYIBNHHABU-UHFFFAOYSA-N 402.520 1.400 30 10 HDEE CC(C)(Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1302344944 IAJMMCUFKBCAIZ-GFCCVEGCSA-N 400.405 1.718 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1303469075 BUNBOGXQHORQLU-AWEZNQCLSA-N 422.486 1.141 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@H](C)C(=O)N(C)[C@H](C)[C@H]2C)c(C#N)cn1CCOC 1310523781 AEAMAKNFOPEEON-MGPQQGTHSA-N 419.482 1.654 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCC[C@H]1Cc1cnn(C)c1 1313032552 JTTSBFQVSLNBLZ-BPQIPLTHSA-N 408.510 1.713 30 10 HDEE COC[C@H](Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1315810116 ZCBMWDYFQRSTRB-SNRMKQJTSA-N 411.478 1.422 30 10 HDEE N#CC1(CC(=O)N2CC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc32)CC1 1353119719 HKJIBUQPJNFZNE-UHFFFAOYSA-N 402.476 1.840 30 10 HDEE C[C@@]1(CC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)CCS(=O)(=O)N1 1358324120 AHGRXJKVRYPANJ-FQEVSTJZSA-N 413.503 1.227 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC(=O)NCCC 1358876485 KRGKTJWKTLKIQN-CQSZACIVSA-N 415.494 1.955 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1358898828 BBXZLGJOVRGITE-HIFRSBDPSA-N 414.441 1.442 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1358912544 SVOALOGWTPIPKX-QGZVFWFLSA-N 423.583 1.884 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@H]1CC(F)(F)CO1)[C@H]1CCS(=O)(=O)C1 1358956906 MHHSBJHHOPQUKG-ILXRZTDVSA-N 416.494 1.843 30 10 HDEE C#CCN(c1nnc(C)n1CCc1cnn(-c2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1358956953 MZHLXGYFAISYBB-HXUWFJFHSA-N 424.530 1.642 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc(N(C)C)nc1)[C@@H]1CCS(=O)(=O)C1 1358961559 BFRVBIFXPKMUKW-QGZVFWFLSA-N 414.535 1.292 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1358962350 OHRZQIHBFLZSNP-DLBZAZTESA-N 420.560 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1CC1(O)CCS(=O)(=O)CC1 1359026307 RNSSVCBFAFXHOA-UHFFFAOYSA-N 424.567 1.037 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1359094107 XETOCDTZJCGONM-HKUYNNGSSA-N 410.526 1.808 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCOC2(CCOCC2)C1 1359132038 LISPQEXXOBSYRM-MRXNPFEDSA-N 405.499 1.208 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1359203282 MCZGVNPPFKHCIJ-SJORKVTESA-N 419.555 1.970 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1359282043 PONNELDCRBVLDK-CQSZACIVSA-N 411.553 1.518 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCNC(=O)[C@@H]1CC 1359306967 WSJSYQXTHNUUSL-HLLBOEOZSA-N 418.542 1.214 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)C1(c3cccc(C#N)c3)CC1)CCS2(=O)=O 1439956186 ZQWSSMJDISDDCF-CMVHYPBASA-N 416.499 1.605 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1442309390 CAIZBSGDNDEVKD-BBWFWOEESA-N 409.527 1.683 30 10 HDEE CC(C)(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCC[C@H](C(F)(F)F)N1 1443539730 XBHOJVQDHVZXOC-QUFAOJHZSA-N 402.417 1.728 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCc3c(sc(N)c3C#N)C1)C2=O 1456737479 ZDUPIVZLCIVYBW-RYUDHWBXSA-N 415.519 1.833 30 10 HDEE COC(=O)[C@H](C[C@H]1CCCOC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1462133428 ZQMFYCDTBZSEJO-RYRKJORJSA-N 403.454 1.998 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(F)c(S(=O)(=O)N(C)C)c1)C(=O)OCC 1462157457 SQALKTNHLFCVBX-CYBMUJFWSA-N 406.863 1.880 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1)n1cnc(C#N)n1 1462721753 LOHWTBULIDPZKN-GJZGRUSLSA-N 418.498 1.633 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2cc3c(cc2Cl)OCCCO3)c(=O)nc1O 1465168921 DEPVTQTZMUDYKU-UHFFFAOYSA-N 405.798 1.457 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCC(=O)NCC(=O)NCc3ccccc3)cc2n1 1467352696 OMSJXAORTPTBMI-UHFFFAOYSA-N 420.473 1.776 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)CC1 1467489498 MSXLCQATHCPNMK-UHFFFAOYSA-N 419.416 1.966 30 10 HDEE CO[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 1468220352 FQLXSHJKFHKWBY-YJBOKZPZSA-N 401.488 1.599 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)N1CC[C@@](O)(CC#N)C1 1469403873 BCHCXAIJALDNIN-HNNXBMFYSA-N 401.282 1.652 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N[C@@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1470101527 CMJNJKQVDHNMAU-SJLPKXTDSA-N 403.479 1.532 30 10 HDEE N#C[C@]12CN(C(=O)c3cc4c(Br)cccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1472191464 FUSFRVQCHNDJER-MGPLVRAMSA-N 408.277 1.941 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@@H](O)CC4(C#N)CC4)C3)[C@@H]2C1 1473743265 GAUUCRLWMTUZHT-TWMKSMIVSA-N 420.510 1.556 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1478404526 SKNWETMSBVQHFD-ARFHVFGLSA-N 407.515 1.692 30 10 HDEE C[C@@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)CN1CCO 1478475794 GCPFWQXFNKRASH-FDCMFXBMSA-N 401.511 1.740 30 10 HDEE COC[C@@H](Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1)OC 1504588049 GIJKAZAMPXGUBS-RTBURBONSA-N 423.477 1.521 30 10 HDEE COCc1nc(Cn2c([C@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cs1 1504655214 BILXMVSGJDMRCQ-LSDHHAIUSA-N 404.496 1.900 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H](C(C)C)N1CCOCC1 1507540949 GXZKUFQQAGWIBQ-QUCCMNQESA-N 413.570 1.954 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCCN(CC)C(=O)C1 1507589666 MZQUUVGTDZSYRL-UHFFFAOYSA-N 405.506 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(C)COCCO1 1507658236 HRRUTDMVQUGYCD-OAQYLSRUSA-N 408.462 1.194 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)COCC2 1507709862 CLTDQTUNEGXTAF-UHFFFAOYSA-N 404.474 1.942 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccco1 1507710744 USKWGJSRGSUDQM-UHFFFAOYSA-N 418.457 1.919 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)c2ccccc2)CC1 1507725787 AOIGMBOHHWHRQL-IBGZPJMESA-N 406.534 1.959 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1507832156 PPROUKQSKJYPKM-VBKZILBWSA-N 402.499 1.563 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCO[C@@H](c2nccs2)C1 1508081270 IQOXHXQOIMBDOU-OAHLLOKOSA-N 411.491 1.677 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1508105814 QCIIAODVPMNGOE-QGZVFWFLSA-N 422.493 1.732 30 10 HDEE C[C@@](O)(Cn1c(Cc2ccncc2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1510233758 GSKOAUIGJZXKJK-DENIHFKCSA-N 404.474 1.900 30 10 HDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C1 1511384812 SLWYAGWLTSLMIP-UHFFFAOYSA-N 422.489 1.744 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCSCCCO)cc1 1521095840 RCXNPGIZNHNPND-CALCHBBNSA-N 401.492 1.494 30 10 HDEE N#CC[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F 1538302182 YNSHZEDWXHKOBR-HNNXBMFYSA-N 419.425 1.601 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3c4ccccc4C(=O)OC3(C)C)CC2)c1C#N 1538698578 VNNAYNFQHBYSGH-GOSISDBHSA-N 407.474 1.982 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1538971059 FJLCEVNBBJOTPH-HZPDHXFCSA-N 405.524 1.734 30 10 HDEE COC(=O)Cn1cc([C@H](C)OC(=O)Cc2ccc(Br)cc2C#N)nn1 1539137909 OGGJVDYUNAHYOE-JTQLQIEISA-N 407.224 1.932 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539230175 CFRKDJVECAVPFN-QZTJIDSGSA-N 415.519 1.508 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539532977 IFUGSDNDPXXECP-OVWQWFNUSA-N 419.551 1.083 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1539736122 SNPOMMUXEPDGOD-SFHVURJKSA-N 407.478 1.623 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H]2CCCN2CCCO)C1 1540888966 BLGPHKZTTYMPAJ-ROUUACIJSA-N 400.527 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1540901215 WPOZEDGYDLLRAI-ROUUACIJSA-N 417.535 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccc(C)cc2)nnc1N(C)[C@@H]1CCOC1 1540906980 IJDXKDVJJJWXPO-QGZVFWFLSA-N 420.535 1.991 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)N(C)C1CC1 1541840017 BFBHZGJZUSTOIW-HNNXBMFYSA-N 414.535 1.534 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F 1545848005 KBWRTMXBTOQMAC-GFCCVEGCSA-N 400.430 1.803 30 10 HDEE CNC(=O)c1cccc(CCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@H](C)C#N)c1 1554411261 GQWLVRRPSBURDD-MRXNPFEDSA-N 423.521 1.712 30 10 HDEE COCCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1555685791 YVELROFRAXALFM-RDJZCZTQSA-N 412.494 1.899 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O 1556317283 VTLIDSGQNRKAFV-IHRRRGAJSA-N 423.963 1.856 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 1557115546 HFUAJZASSSWPKL-RYQLBKOJSA-N 418.563 1.837 30 10 HDEE C#CC1(O)CCN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CC1 1560027027 NZGKSOAWGMOWRI-UHFFFAOYSA-N 405.520 1.260 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)c2cccnc2C#N)CC1 1561813642 DHLONWIOTWUJNO-UHFFFAOYSA-N 410.496 1.336 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3C[C@@H](CO)[C@H](C(F)(F)F)C3)C2=O)cc1 1564546844 APYJNSKGSVXXFE-IMJJTQAJSA-N 410.396 1.866 30 10 HDEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCc1cn(CC(F)(F)F)c(=O)nc1O 1564707860 JYDCRXFGVBDCJZ-CQSZACIVSA-N 407.352 1.870 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1)C1CCOCC1 1565105396 HGEOXMVQARZVIQ-SFHVURJKSA-N 408.506 1.468 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCC(C(N)=O)CC3)C2)C1 1565652821 TVSQZRXVLPODGB-OXVPGJRYSA-N 404.511 1.934 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 1569857891 XVCCBAIHSDUYQE-OAHLLOKOSA-N 406.435 1.749 30 10 HDEE C=CCCn1cc(C(=O)N(C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)nn1 1572511764 DNDYYFXCEPUDRF-LHHMMCJZSA-N 401.511 1.587 30 10 HDEE C#C[C@@H](NC(=O)[C@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C1CCOCC1 1586729622 DKSZWNYZTCSNDU-MEDUHNTESA-N 419.275 1.978 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)NC2(c3cccc(C#N)c3)CCOCC2)C1 1587613549 LWEVWDZHQJCOBT-KRWDZBQOSA-N 405.520 1.742 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1587697079 JFZDVWROBJNLKO-UWJYYQICSA-N 401.511 1.702 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1588050363 RVHIHQVIKXVETH-AWEZNQCLSA-N 418.548 1.257 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1588075074 WWPORKCXYVCCJT-MHORFTMASA-N 424.567 1.645 30 10 HDEE C=C(Br)Cn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1589366341 CENBMPBMQGQJKM-LBPRGKRZSA-N 406.288 1.738 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)c1 1593617150 KZBNIUDVDGIULZ-CQSZACIVSA-N 410.467 1.829 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1593753129 XDNPTWBUWYDXPF-HXUWFJFHSA-N 412.538 1.782 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CCC2)CC1 1594097245 ORWCEAXDRXFPQF-WZQKQDCOSA-N 412.581 1.638 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1594645451 MSXCMTHZSBMXDH-MOPGFXCFSA-N 416.570 1.914 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1594824469 IHYWNEGRACSMKZ-NRFANRHFSA-N 413.526 1.591 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1)C1CC1 1595054968 VTQQWEZYDAJLAV-MRXNPFEDSA-N 416.551 1.844 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1595418726 XQFAKUNPGPRMJH-GHTZIAJQSA-N 423.565 1.829 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)C1 1595790082 IPNYPMRXNYNJFA-PKOBYXMFSA-N 401.532 1.814 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC1 1595884939 XFCNQWIBCOSTRE-AWEZNQCLSA-N 401.558 1.130 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)cc1=O 1596596882 QNVXJJYQAIRCKI-UHFFFAOYSA-N 401.264 1.982 30 10 HDEE C[C@H](Cc1ccc(C#N)cc1)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 1598269084 DCLREZINTBDSMQ-GOSISDBHSA-N 405.502 1.987 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCc2nc(O)n[nH]2)C1 1610956532 CUJJLEHPCQCZGS-UHFFFAOYSA-N 405.256 1.330 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)[C@H]3CC=CC[C@@H]3C(=O)N3CCOCC3)CCO2)cc1 1611670901 BILUQAISJRENBW-ACRUOGEOSA-N 409.486 1.899 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1614974589 HCVGOSYYFACTBE-GOSISDBHSA-N 423.521 1.648 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCS(=O)(=O)NCC1CCC1 1615299921 XQMBWLVTXSIDHP-UHFFFAOYSA-N 414.325 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)s1 1615895776 KIOFJIWEJWBKQK-AWEZNQCLSA-N 419.528 1.677 30 10 HDEE COC(=O)[C@@H]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)[C@H]2CCCC[C@@H]21 1620056599 DQUDKMFIXCZPIZ-YSTOQKLRSA-N 404.555 1.732 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1620070294 FGFIQGZQSQJAPB-NRFANRHFSA-N 412.494 1.572 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CNC(=O)N2CCCC2)cc1 1624926779 HTYUBHQHKCPHJB-LTGZKZEYSA-N 407.496 1.243 30 10 HDEE CN(C)c1ncc(CNC(=O)C2CN(c3ccc(Br)cc3C#N)C2)n1C 1627193459 ORNHBSRTOSJIRU-UHFFFAOYSA-N 417.311 1.873 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)NCc1ccccc1OCC(=O)NC[C@H]1CCCO1 1629731426 OLEGHTHFIVURIQ-KURKYZTESA-N 403.479 1.503 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)C1 1631139891 IPAJTACBLYUFMR-OAHLLOKOSA-N 419.279 1.856 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1631187056 MFFOGBIYZFLQCH-MSOLQXFVSA-N 408.520 1.591 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCO[C@H](C#N)C3)ccc2NC1=O 1632583958 ZCACGCSUDGNEHE-WBVHZDCISA-N 414.462 1.829 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)s3)CC2)CC1 1635737435 NRBKHEVFPLNXRP-UHFFFAOYSA-N 408.911 1.838 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1637802026 CVIRYUSHTCMUGE-CQSZACIVSA-N 410.496 1.349 30 10 HDEE CC(C)[C@H](CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)N1CCN(C)CC1 1638404435 FMNNSESLWGSCPH-ROUUACIJSA-N 409.575 1.962 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1641129808 VCDAYADUMRUNRN-CQSZACIVSA-N 424.906 1.974 30 10 HDEE Cc1cc(C)nc(-n2nc(C)cc2NC(=O)Cn2c3c(cc(C#N)c2=O)CCC3)n1 1641447824 BZLSUDJYKRIFHS-UHFFFAOYSA-N 403.446 1.748 30 10 HDEE COc1ccc([C@@H](CO)CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1642361677 MVDINPRVHXZKTO-QGZVFWFLSA-N 417.487 1.311 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccccc3CNS(C)(=O)=O)cc2C1=O 1643148594 QTRRPMQQCKTUKF-UHFFFAOYSA-N 413.455 1.770 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1nnc2c(=O)[nH]ccn12 1645342928 RBSPXEHNCIIAHY-QWHCGFSZSA-N 404.471 1.844 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1648155911 RBHDCGWOQZPRIH-XTDOFWJNSA-N 411.524 1.467 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NCc2c(C)nn(C)c2N2CCOCC2)cc1 1651539371 LKTIXUPZAVOJSL-UHFFFAOYSA-N 419.551 1.984 30 10 HDEE C=CCCC[C@H](NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)OC 1652012922 JRQXTLKYFBPXJU-ZDUSSCGKSA-N 422.425 1.998 30 10 HDEE CCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccccc2C#N)CC1 1653734076 WHOSVHANYOUKOS-NRFANRHFSA-N 420.513 1.829 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)nc1 1653798660 MJVVICKUPGDNBD-IUODEOHRSA-N 402.398 1.333 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@@]3(C)C2)n(Cc2ccco2)c1C 1654478388 QJNNOIRKVCGKPX-SZPZYZBQSA-N 423.473 1.541 30 10 HDEE Cc1ccc(C[C@@H](CO)CNc2[nH]c(=O)n(C)c(=O)c2C#N)cc1Br 1655483551 AFWIIKCKEWAKIQ-GFCCVEGCSA-N 407.268 1.279 30 10 HDEE N#Cc1c(Cl)cccc1S(=O)(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1656637159 CXOOUSVWEKOIOE-OAHLLOKOSA-N 412.943 1.287 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1)[C@H]1CCC[C@H]1C#N 1659735945 BHFNMIGPSSUDAJ-RDJZCZTQSA-N 408.499 1.283 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)nn1 1666876115 QFYICTBGQQHKAY-UHFFFAOYSA-N 404.434 1.644 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(S(N)(=O)=O)s3)CC2)cc1 1676741002 BOLDLSTVIRWEDJ-UHFFFAOYSA-N 405.505 1.299 30 10 HDEE COc1ccccc1OC[C@@H](C)CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1680490250 XTAUBMOSZRKOQM-DOXZYTNZSA-N 407.492 1.290 30 10 HDEE C#Cc1cccc(CNC(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)c1 1682262583 QVNQZOMFNNVGHU-UHFFFAOYSA-N 401.488 1.592 30 10 HDEE C=CCC[C@H](CO)NC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1682416821 RWHXORPYVICHFM-LLVKDONJSA-N 410.323 1.898 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1682984758 WCPRCLVHZLRLSF-GJZGRUSLSA-N 414.325 1.847 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1684752748 IPXWQGKNWGEOGE-YADHBBJMSA-N 419.529 1.614 30 10 HDEE N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCC(=O)NCC(=O)NCc1ccccc1 1686378300 AHLPXMWOJIZSDD-LJQANCHMSA-N 405.458 1.277 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)C2)nc1 1687213405 CVAUCOMKSBQDNG-AEFFLSMTSA-N 412.494 1.319 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCc1ccc2oc(=O)n(C)c2c1 1687276697 LWBAELDIADPPSP-ZDUSSCGKSA-N 407.434 1.213 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)CC1 1687449635 HTQLKNZAGWSJJP-KRWDZBQOSA-N 420.535 1.892 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@](C)(O)CCOC 1689835164 HHQCZFXHWJGCEF-YWZLYKJASA-N 420.535 1.594 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1689854621 DMYQPEWRUYJGDR-LRDDRELGSA-N 416.432 1.593 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1Cc1ccco1)[C@@H]1CCS(=O)(=O)C1 1689988248 LNMQEMBKXKWAQU-MRXNPFEDSA-N 411.487 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(SC)c1 1690019411 HYZUNVSANQXTMR-MRXNPFEDSA-N 415.544 1.418 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@]2(C)COCCO2)CC1 1690128376 CEMZQRPWLVANFZ-JOCHJYFZSA-N 413.497 1.569 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCN(CC)C2)CC1 1690137272 RXVIAGDAPOATLI-KRWDZBQOSA-N 400.571 1.883 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCc2cnn(C)c2)CC1 1690141922 FOUVOCMSGAYJJN-UHFFFAOYSA-N 420.521 1.605 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)NCCC)CC1 1690369098 YAXHJZRRNRJMFI-UHFFFAOYSA-N 407.482 1.603 30 10 HDEE C=C1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCS(=O)(=O)NC)CC1 1690369793 YTCMGSPDECZKGC-UHFFFAOYSA-N 405.480 1.379 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@]2(CCOC2)C1 1690663000 IZXDMBNCVXWGIE-HXUWFJFHSA-N 412.450 1.772 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCOCC2)C1 1690700810 YFYXXKRCUSBDKF-MOPGFXCFSA-N 405.543 1.676 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCCC2)C1 1690714392 LVNQLIFHEOZSEW-UHFFFAOYSA-N 409.556 1.788 30 10 HDEE CC(=O)NCCCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccc(C#N)cc1 1690982412 AQIWGCWHTWRTTH-UHFFFAOYSA-N 409.494 1.435 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1695508227 VUOIIPHWACECTQ-FGTMMUONSA-N 421.505 1.451 30 10 HDEE Cn1ccc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)n1 1696862089 CJGHYIWBLFWZNB-UHFFFAOYSA-N 407.478 1.932 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](C)N(C)C1CC1 1705550529 MLBJROSUAMHTJU-HNNXBMFYSA-N 415.567 1.790 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)N(C)Cc1ccccc1 1705558697 FVNYFIJHMFIVIZ-ICSRJNTNSA-N 411.506 1.730 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(CO)c1 1705580609 LPPDNFZWJDMAPS-UHFFFAOYSA-N 403.442 1.619 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCO[C@H]1C 1705630883 KDDAAYBMOFDTLI-HRAATJIYSA-N 418.469 1.622 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)OC[C@@H]2C1 1705651735 GSPFMBMRFXXICL-HNNXBMFYSA-N 420.539 1.204 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](OC)C(C)C)CC1 1705652780 NFHJXFCBUKLJAC-MSOLQXFVSA-N 403.527 1.766 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1705653437 HIPBWLXVSTYJAP-CQSZACIVSA-N 413.569 1.014 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)COC)CC1 1705702303 LHDVEBVMSSTTCI-FXAWDEMLSA-N 405.543 1.753 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1NC(=O)CC1(C)C 1705710951 VIDKZABYIFAKGH-KBPBESRZSA-N 412.560 1.205 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1705739264 AIHUNIBIQPTDOJ-ROUUACIJSA-N 413.526 1.447 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1705906497 HKKCEDXKDPLBOW-IYBDPMFKSA-N 419.869 1.374 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1705908089 HMNXVFRTGOXVLP-NRFANRHFSA-N 416.526 1.751 30 10 HDEE CCc1nnc(N2CCC[C@@H](N3CCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709117156 YXSYNJMTHMXWAA-DVSFIDLUSA-N 413.526 1.432 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1709840182 IKRGNKPGZBGEGA-UHFFFAOYSA-N 407.478 1.154 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1712417982 OQCZXCFUKBUOIP-MRXNPFEDSA-N 419.917 1.691 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1722365564 OJTFRBLMEOAIOQ-INIZCTEOSA-N 404.492 1.301 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722368402 RBNHPMPXCSMCCG-OAGGEKHMSA-N 410.565 1.162 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccccc1)N(C)C 1722370279 MXEQOOFQJCDWAG-FQEVSTJZSA-N 404.518 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccnc(OCC2CC2)c1 1722379189 LZTSQUJXVJCIMY-UHFFFAOYSA-N 401.474 1.984 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCOc1ccc(S(C)(=O)=O)cc1 1722379696 XBAVAWFDEXCDKX-UHFFFAOYSA-N 423.498 1.829 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1722382939 DRJSEVINKSFWQZ-ROUUACIJSA-N 417.535 1.040 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@]1(N(C)C)CCSC1 1722386903 ANEFBPWFAQWAFM-HXUWFJFHSA-N 402.568 1.317 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCN1CCOCC1 1722454340 BOPBUXKLRONXIJ-UHFFFAOYSA-N 410.547 1.952 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCn2nc(C)nc2C1 1722462952 UVMZQFWYEGFUFY-UHFFFAOYSA-N 411.539 1.426 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722481848 BUFSMJUYJITXPX-GFCCVEGCSA-N 419.345 1.704 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722502807 ASSZASRBTFEZME-DLBZAZTESA-N 409.556 1.608 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1722868704 DFSZGURVQYRNDK-AWEZNQCLSA-N 405.503 1.521 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCOC(F)F)CC1 1729729981 SYIKVYNPMBXKHZ-UHFFFAOYSA-N 419.436 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1740552276 NSHFNAWULIXUPT-CABCVRRESA-N 405.499 1.534 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@@H](C)C(=O)NC 1740588594 BWUXQQUXNIVVJU-CQSZACIVSA-N 407.478 1.826 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740624448 IXKIVNYCYJGJQK-NQIIRXRSSA-N 420.579 1.799 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN1CCCC1)[C@H]1CCS(=O)(=O)C1 1740625358 FFZIOOQNRSSXQS-ZWKOTPCHSA-N 421.567 1.242 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1740626433 KQWIDWKFDKUMRH-RBUKOAKNSA-N 421.611 1.835 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCc2cccnc21 1740661653 HAPDMCCFSDFCJU-RDJZCZTQSA-N 416.551 1.863 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1c(CC)nn(C)c1OC 1740686288 VSLGKZWTNPFVMT-HNNXBMFYSA-N 402.499 1.221 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CCCCCC2)CC1 1740698242 BKGHTADKGNDBGO-UHFFFAOYSA-N 424.597 1.771 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1740849821 YOOCJPSXSSGREY-KRWDZBQOSA-N 423.521 1.013 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740881048 VRFYWDSOYWNNRM-ZWKOTPCHSA-N 403.527 1.970 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Nc2cc(OCC)ncn2)CC1 1740946539 YDNWSRLIVOWVHL-HNNXBMFYSA-N 412.498 1.685 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1740962153 UVAHQWXOHFFZAS-GOSISDBHSA-N 420.521 1.684 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1740962711 MHYLBYSIBUFFLY-RTBURBONSA-N 422.533 1.470 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)OC)C1 1740973237 STUJQNHLSQBBBX-KGLIPLIRSA-N 401.533 1.095 30 10 HDEE C=CCSCCn1c(C2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741000553 CJVJCHHMIVPVJJ-OAHLLOKOSA-N 404.540 1.002 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1743253680 PQNOIMYVGNWPFH-MEUCICPISA-N 408.462 1.697 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H](C(=O)NC)C1 1748760195 VJRLPLCYURTKKR-HNNXBMFYSA-N 414.535 1.645 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1Cc1ccc(-n2cncn2)nc1 1748887132 UZBNTIIQZJRGOF-UHFFFAOYSA-N 410.445 1.222 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)N1CCOCC1 1748906598 ALVTUZUIWSVABG-RXVVDRJESA-N 405.543 1.499 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCNS(=O)(=O)CC 1748928884 AGZKITYVZOGDCH-QGZVFWFLSA-N 419.507 1.189 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cc(C)cc(C)c2)CC1 1748989697 BESKRFFFPOEYOO-HXUWFJFHSA-N 422.533 1.680 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CC2(O)CCOCC2)CC1 1748994139 BCVPEBJBRMRCLX-UHFFFAOYSA-N 409.534 1.360 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1749574792 FOKVYZASRVEUGL-OAHLLOKOSA-N 419.555 1.753 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1749650780 HEUDZLDEYFDWJA-IRXDYDNUSA-N 417.558 1.676 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1749676429 PYXNZHSYNFLTPL-HIFRSBDPSA-N 424.427 1.722 30 10 HDEE Cc1ccc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)cc1 1751499426 CXDIJWXXIDSJMI-DNVCBOLYSA-N 420.514 1.881 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CC1 1760101947 CQIILFMSOWIHAO-PWFNWSNSSA-N 420.560 1.718 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](CC)Oc1ccccc1F 1760163396 URRYISMMANPTQG-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1760187053 SZPHWMKGCLUJEZ-JKSUJKDBSA-N 416.503 1.307 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCCOCC)[C@H]1CCS(=O)(=O)C1 1760188581 PJVMAVWDCYMXOS-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCn2cc(C)nc21 1760191855 ANGLJVRFPYWUBJ-SFHVURJKSA-N 405.506 1.669 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@H]1C 1760214633 WNSBYCBUSKTACE-GAJHUEQPSA-N 422.485 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCOC 1760216210 FMBXCRCAULHDEH-UHFFFAOYSA-N 414.535 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C)c(OC)c1 1760243702 QAMFFOJMJLNSQY-UHFFFAOYSA-N 411.506 1.965 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1760260440 SFGNEHMKDUYRSP-SFHVURJKSA-N 410.497 1.394 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)COC)CC1 1760261336 PEQRTRNZFFHKRU-INIZCTEOSA-N 416.551 1.307 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760327382 GNTBRTQEYSGSIK-ZVDOUQERSA-N 419.570 1.954 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCN(c2cccc(O)c2)CC1 1760520272 INYBJRXJAGJRJJ-UHFFFAOYSA-N 421.505 1.618 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC(CC(N)=O)CC1 1760520513 QDINSOGHXZISME-UHFFFAOYSA-N 416.913 1.993 30 10 HDEE C[C@@H](O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N2CC[C@](F)(C#N)C2)cc1 1761514197 APVVKWMFWKCMDH-VFNWGFHPSA-N 412.469 1.944 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(CCCCO)C2CC2)C1 1767509857 IWEUUXAVDKMSOW-JOCHJYFZSA-N 410.522 1.625 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC1CC1 1768292417 AKNVACLPDQBCSL-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE COC[C@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)OC 1770755761 GUQFSXQTHMOUQW-SCLBCKFNSA-N 403.418 1.029 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@]1(O)C[C@H]2CC[C@H]1C2 1771223153 RBJPYQGTQIOTCN-GFZGVUQPSA-N 419.526 1.672 30 10 HDEE N#Cc1ncc(C(=O)N2CCN(Cc3cnnn3-c3ccccc3Cl)CC2)cn1 1848497372 UYWVAPLGFVVRBG-UHFFFAOYSA-N 408.853 1.540 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848709753 AYWHJOVHDUMCJK-UHFFFAOYSA-N 418.519 1.808 30 10 HDEE C=CCN(C(=O)C[C@@H]1CSc2nc3c(c(=O)n21)CCCC3)[C@@H]1CCN(C)C1=O 1849230337 TUSPWUWVCSEDFH-CZUORRHYSA-N 402.520 1.404 30 10 HDEE CCn1c(=O)c2cc(S(=O)(=O)N3CCC4(CC3)C[C@@H]4C#N)ccc2n(CC)c1=O 1849736148 QSWPMYIFHQPMOY-CQSZACIVSA-N 416.503 1.517 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)NC1=O 1851241241 NVSGEEICLMAPAV-LBPRGKRZSA-N 402.838 1.009 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@@H]1CCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1853756033 MLTFOEOEJRRXBB-RBUKOAKNSA-N 417.531 1.516 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N3CCCc4cc(C)nc(OC)c43)C2=O)CC1=O 1853792919 AVIFRTWTSLXUSC-IRXDYDNUSA-N 412.490 1.313 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CCc4ccon4)C(=O)C3)C2)cc1 1854102017 ZUYXIWJUXIMBTJ-FQEVSTJZSA-N 407.474 1.424 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)C1 1854255607 FPMDYSOPHZPXMO-IEBWSBKVSA-N 402.539 1.099 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1854452401 BKKXLDKUOPWMSJ-UHFFFAOYSA-N 411.483 1.939 30 10 HDEE CC1(C)C(=O)N(C(=O)[C@@H]2CCCCO2)CCN1S(=O)(=O)c1ccccc1C#N 1854462379 PQLHBAMASFOVAU-HNNXBMFYSA-N 405.476 1.265 30 10 HDEE N#CCCCN1CCC([C@H]2CC(=O)N(C(=O)COc3cncc(Cl)n3)C2)CC1 1855014975 PDROLFVHGPBNPY-HNNXBMFYSA-N 405.886 1.900 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@H]2C)c(C)c1 1855806551 CIAHEBQIFDICPD-OAHLLOKOSA-N 412.471 1.632 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)OC1=O 1855859544 TWFIDDRNQIBIPS-CQSZACIVSA-N 413.402 1.627 30 10 HDEE CCS(=O)(=O)C1CN(C[C@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1856145310 VKLADIALENDLKB-GOSISDBHSA-N 417.531 1.375 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C(C)C)on2)C1)[C@H]1CCN(C)C1=O 1857046687 UHDPKXXGLFLRDZ-WBVHZDCISA-N 402.495 1.896 30 10 HDEE Cn1cncc1C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CCC1=O 1857211349 MTLUWLDGKXRLFE-MRXNPFEDSA-N 406.490 1.945 30 10 HDEE C/C(=N\O)c1ccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1 1860472886 VJXDKMNHNQPNLZ-LDADJPATSA-N 407.404 1.985 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)CCN1C(=O)c2ccccc2C1=O 1861525154 KRYUOCMYLVDCAA-IBGZPJMESA-N 423.444 1.842 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CN1CCC[C@@H](C)C1 1870542040 MNXVHEADBNKTNB-IEBWSBKVSA-N 403.523 1.940 30 10 HDEE C=CCn1c(C(=O)N2CCN(C(=O)OCC)CC2)cc2c(NC[C@H](C)O)ncnc21 1875228824 GHYYBZIGTGEFBX-AWEZNQCLSA-N 416.482 1.324 30 10 HDEE CN(C)CC#C[C@@H]1CCCN1C(=O)[C@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1890847057 GWVZITQZJGWYQT-IEBWSBKVSA-N 407.511 1.535 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CCN(c2ncccc2C#N)CC1 1892040706 AXXRMGDKUHXONX-MRXNPFEDSA-N 410.503 1.458 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1988014160 YNGSQGPNLVPGEJ-SFHVURJKSA-N 416.522 1.267 30 10 HDEE CCS(=O)(=O)[C@@H]1CSCCN1c1nc(B2OC(C)(C)C(C)(C)O2)cs1 2116145502 PDNPYINDPMHOKN-GFCCVEGCSA-N 404.388 1.756 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](CO)[C@@H](NS(=O)(=O)c2ccc(C#N)s2)C1 2116274615 QBRJNDRSJCUGGC-AAEUAGOBSA-N 401.510 1.516 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2ccc(C#N)cc2Cl)CC1 2118167688 JOTDQCYOVAGUEV-UHFFFAOYSA-N 400.888 1.958 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2[C@@H]1NS(=O)(=O)c1ccc(C#N)s1 2174782427 QJLSAYPIIQGUNQ-MYPMTAMASA-N 413.521 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)[C@@H](F)C1 2174784441 NUASZSNBXUCSNX-UONOGXRCSA-N 405.492 1.574 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNC(=O)N[C@H](C)S(C)(=O)=O)s1 2237727568 MRJVNMPCTCYWBO-NSHDSACASA-N 402.347 1.546 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N=c2nc(Br)[nH]s2)C1 2243273364 CETHUSNMHKTEBR-UHFFFAOYSA-N 401.286 1.968 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247931412 YBTGASLAWDJKBG-UHFFFAOYSA-N 410.283 1.164 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)c1nncs1 2267370563 NLKYOYQJZAPDEZ-VIFPVBQESA-N 401.344 1.938 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N=c3nc[nH]s3)ccc2Cl)OC1(C)C 2267719141 DAJDOWKDVLJMMO-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE C#CC12CC(CCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2273227389 FHBWEHIUBVCSCZ-GNZRSQJKSA-N 420.487 1.272 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@@H]3[C@H]4CS(=O)(=O)C[C@H]43)c2Cl)OC1(C)C 2281936588 ORWWWTPWIZFJRB-GDGBQDQQSA-N 417.745 1.474 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282030214 BZGQRTAQYCODKA-WDEREUQCSA-N 400.331 1.138 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282309515 GNGNOUWHMYGLMM-OLZOCXBDSA-N 400.375 1.490 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CNC[C@@H](F)C1 2282312799 BMUWMPBFWPEALN-NWDGAFQWSA-N 404.338 1.334 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCNCC1(C)C 2282315717 ROSCGVFEARTVDN-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2282316595 FMEKWMBRSSPTJT-HOSYDEDBSA-N 418.777 1.729 30 10 HDEE Cc1cc(S(=O)(=O)NC2CC(N(C)C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282325673 IFBPXBZDICOUEG-UHFFFAOYSA-N 400.375 1.727 30 10 HDEE CNC(=O)C(C)(C)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336439 DDNUMSTYZGDROO-UHFFFAOYSA-N 402.347 1.098 30 10 HDEE CC[C@H]1[C@@H](CO)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343349 DPQJADAITUJELA-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCSC(F)(F)F 2282349063 UENIWCAGCNRCDS-UHFFFAOYSA-N 415.268 1.251 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCCO3)c(Cl)c2)OC1(C)C 2282510823 DZJKTGKOKTXJAQ-UHFFFAOYSA-N 403.693 1.592 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCO[C@@H]3C(N)=O)sc2Cl)OC1(C)C 2282612222 DCYMZOCFUNGXLX-ONGXEEELSA-N 400.693 1.073 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3C[C@H](O)[C@@H](F)C3)c(Cl)c2)OC1(C)C 2282831554 AOIDXXFOKROKTO-STQMWFEESA-N 405.684 1.343 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NN3CCOCC3)ccc2Cl)OC1(C)C 2282866574 LVDAFHBTTLXWDM-UHFFFAOYSA-N 402.709 1.165 30 10 HDEE C[C@@H]1C[C@]1(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399198 HKYOJTUZMACGQR-QLJPJBMISA-N 401.315 1.436 30 10 HDEE C[C@H](CC(=O)O)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284403749 SMGYUHZOASKFQH-SNVBAGLBSA-N 404.319 1.067 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244835 ATFQOAWJGFGXNK-PWSUYJOCSA-N 402.347 1.226 30 10 HDEE Cn1nc(I)cc1[C@@H](C#Cc1nccs1)OCCCN 2363525545 JEAVTCZMYDFJOQ-LLVKDONJSA-N 402.261 1.939 30 10 HDEE CN[C@@H](C#CC1(OC)CCOCC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2363811008 GLLUIGUTWLQMFM-NZQKXSOJSA-N 416.518 1.937 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@H](OC)CN1C(=O)OC(C)(C)C 2365198553 GRSKYSNYUYAJGR-BZUAXINKSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200914 CLEWABGGRFHIJK-KUHUBIRLSA-N 401.525 1.828 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CO[C@H](C1)[C@@H](NC(=O)OC(C)(C)C)C2 2365202760 PJJFOAMIQZMMFU-YGTYGHESSA-N 400.541 1.473 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]1[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365246233 OGZHEVWJGOFASH-FZKQIMNGSA-N 403.497 1.682 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C 2367048293 JVPXPZVFMLEYQZ-KLHDSHLOSA-N 402.557 1.455 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367784039 ABFBVIINBPWRIE-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@@H]1CCCN1C(=O)OC(C)(C)C 2367823731 JAGILJUXIAFFPS-OWCLPIDISA-N 400.541 1.306 30 10 HDEE CC1(C)OB(c2csnc2CN2CC[C@@H](S(=O)(=O)C(F)F)C2)OC1(C)C 2368502828 PAHZITLBNPDRNU-SNVBAGLBSA-N 408.301 1.654 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ccccn3)CC2)CC1 37616 AFTFXHWJCKQEPZ-QGZVFWFLSA-N 404.536 1.633 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)Nc1ccc(OCC)cc1 10063374 XANDMBFQNJQKHS-UHFFFAOYSA-N 404.492 1.807 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccc(C#N)cn3)CC2)CC1 50071657 UWLIOSRPCIWIPR-HXUWFJFHSA-N 418.545 1.981 30 10 HDEE Cn1c(=O)oc2ccc(S(=O)(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)cc21 238863254 LECNYERTYTZISG-CYBMUJFWSA-N 400.416 1.240 30 10 HDEE CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254340852 MNDLUCWEZFUGBC-OWCLPIDISA-N 409.533 1.533 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CSC[C@@H]1C(=O)Nc1ccc(F)cc1 410144754 YHYZGISKAWNKDM-OAHLLOKOSA-N 416.500 1.246 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)cc1C#N 427118316 WCQKHLCSMANIQV-UHFFFAOYSA-N 415.475 1.333 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccn3)C(=O)OCC)cc2C1=O 429273500 MYBFOIKZVVQKPS-GOSISDBHSA-N 407.426 1.768 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccccc3O)C2)nc1 436868967 JYTYBCAZQUKLMO-WMZOPIPTSA-N 406.442 1.943 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)cc2OCCN(C)C)CC1 438270686 BEVONSCWWLKKNS-UHFFFAOYSA-N 403.527 1.387 30 10 HDEE Cn1nccc1[C@H]1CCCCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 440214668 IJRKINIEKGQEDY-GOSISDBHSA-N 418.461 1.624 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)nn1CCC#N 443120987 CEEWVBOLYPNYFE-UHFFFAOYSA-N 400.527 2.206 30 10 HDEE C=CCN1C(=O)c2ccc(-c3nc(CC(=O)NCCCOC(C)C)no3)cc2C1=O 445413373 YMMCKFPURSYZMT-UHFFFAOYSA-N 412.446 1.992 30 10 HDEE C=C(C)C[C@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C(=O)OC)cs2)CC1 464551822 UBMSSXURQGVBMJ-ZDUSSCGKSA-N 400.522 1.970 30 10 HDEE CO[C@H]1CN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[C@@H]1C 467295921 WDLSADAMBFMYBJ-YJBOKZPZSA-N 413.478 1.812 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 469172496 XLIKFZREQWHFAI-UHFFFAOYSA-N 414.491 1.661 30 10 HDEE COC(=O)CC1(NC(=O)CCCCOc2cccc(C#N)c2)CCS(=O)(=O)CC1 474467306 BMTRUSQSAYYPTK-UHFFFAOYSA-N 422.503 1.734 30 10 HDEE CC[C@@H]1CN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C[C@@]2(CCOC2)O1 478365796 WOOWXGLULLKIDM-VQIMIIECSA-N 407.492 1.207 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c(C#N)cn1CCOC 481357635 HXARYJJBANCKQI-GFCCVEGCSA-N 402.455 1.967 30 10 HDEE COCCOc1ncccc1NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486951758 UQWTWFUEGCYIEU-GOSISDBHSA-N 409.446 1.901 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC[C@@H]3[C@H]3CNC(=O)C3)C2=O)cc1 488266385 PNARWRFDFRIDEI-CEXWTWQISA-N 409.490 1.359 30 10 HDEE CN(C(=O)CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1)C1CCCCC1 488695973 MKHKFUPHSSCLMM-UHFFFAOYSA-N 422.526 1.795 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3)C(=O)C2)cc1C#N 489489101 LXGALCWBIFEHBM-UHFFFAOYSA-N 404.879 1.948 30 10 HDEE N#Cc1cccc(-c2cnc(CNC(=O)Cn3c(O)nc4ccccc4c3=O)[nH]2)c1 494575306 CEKYXMPOFHAAON-UHFFFAOYSA-N 400.398 1.680 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)Cc3cc(C#N)ccc3F)CC2)n1 500928018 ZGQRWNJTUNXJSQ-UHFFFAOYSA-N 404.471 1.205 30 10 HDEE N#Cc1cccc(CNC(=O)CS(=O)(=O)c2nncn2-c2cccc(Cl)c2)c1 503609564 FLKNUVHHKJNCST-UHFFFAOYSA-N 415.862 1.882 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)O1 520051194 CCMUKPVMXRLWLX-GJZGRUSLSA-N 406.508 1.563 30 10 HDEE C[C@H](c1ccccc1)N1CCN(C(=O)CN(C)CCCc2[nH]nc(N)c2C#N)CC1 534833947 KMQGWXLKULCIBV-QGZVFWFLSA-N 409.538 1.633 30 10 HDEE Cc1nnc(NC(=O)[C@@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)s1 537195823 YYTSITZTKSBWDA-AWEZNQCLSA-N 410.463 1.510 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CC2)n1 546196433 UPBOKZXJKYGYCP-UHFFFAOYSA-N 409.515 1.972 30 10 HDEE C=C(C)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(C2CC2)C(=O)C1 549675693 CGVZWRFFXGLAET-UHFFFAOYSA-N 422.537 1.839 30 10 HDEE N#Cc1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 549753504 UWECSKPMVBMUTM-MRXNPFEDSA-N 410.405 1.432 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccccc2[C@H]1C 583112576 WHDZFHUDPZXDMR-CRAIPNDOSA-N 417.535 1.921 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)CN[C@@]1(C(=O)OC)CCCN(Cc2ccccc2)C1 611266178 PMOKKSYBVKPVOT-GCJKJVERSA-N 400.523 1.792 30 10 HDEE CCCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cccc3cnccc23)c1=O 611916255 ZKMWXRKEMOPRAT-UHFFFAOYSA-N 418.522 1.993 30 10 HDEE C[C@@H]1CCCCN1S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 714611074 QGCANEMNTWVEBN-GFCCVEGCSA-N 401.363 1.651 30 10 HDEE C[C@H]1Oc2ccc(C(=O)COC(=O)CNC(=O)c3ccc(C#N)cc3)cc2NC1=O 728099922 KARVFSOVIWOGEA-GFCCVEGCSA-N 407.382 1.434 30 10 HDEE N#C[C@@H](C(=O)CN1CCCC[C@H]1CN1CCOCC1)c1nc(O)c2ccccc2n1 732210678 CQNPVJVWXDDSCC-WMZOPIPTSA-N 409.490 1.698 30 10 HDEE C[C@H](OC(=O)CN1CC(=O)NC1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 732355642 RGJGXMJNQKONJC-JTQLQIEISA-N 404.448 1.311 30 10 HDEE N#C[C@@H]1CN(C(=O)CN2C(=O)c3cc(Cl)c(Cl)cc3C2=O)CCN1C1CC1 732648881 LDXOICZFHVMBAT-LLVKDONJSA-N 407.257 1.788 30 10 HDEE CN(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCN(c2ccccc2F)C1=O 732891414 HSCPSVDBNIAPBB-DVEDPGPFSA-N 415.425 1.099 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCOC[C@H]2CCCO2)C1=O 734296036 MPSALTCXFLIXSR-NVXWUHKLSA-N 416.503 1.821 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 740731242 UTRMSBUIXGXRAJ-KRWDZBQOSA-N 400.504 1.663 30 10 HDEE CCO[C@H](C)c1noc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)n1 742422981 FTJJCKGUCQTLBF-CYBMUJFWSA-N 420.495 1.008 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 750049495 ALICOQBTYZPLOZ-UHFFFAOYSA-N 415.519 1.972 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)ccc1N1CCCC1)[C@@H]1CCS(=O)(=O)C1 774025959 QWKNTUYVOPJYRJ-MRXNPFEDSA-N 419.503 1.728 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 775910527 WZRRBBNABMVAQN-IFXJQAMLSA-N 403.460 1.717 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1nc2c3c(ccc2s1)CCCC3 783347014 GITZMUAPXVTJMV-UHFFFAOYSA-N 407.517 1.831 30 10 HDEE CCCc1c(NC(=O)C(=O)NCC[S@@](=O)CC)cnn1-c1cccc(C#N)c1 785988950 DVLMXLZSCNZFPF-NDEPHWFRSA-N 401.492 1.520 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)COC(=O)CN1CCc2cc(OC)c(OC)cc2C1 786798136 OKHVYINMBMNCLE-HNNXBMFYSA-N 403.479 1.613 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cccc(CS(C)(=O)=O)c2)n1 788939271 NGDDJGQQCRSPBA-UHFFFAOYSA-N 418.519 1.419 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)n1 789320807 HKHYBGOSUIZKQS-OAQYLSRUSA-N 424.501 1.091 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCS(=O)(=O)c3ccccc32)CCCCC1 793207310 CJITYKIGFCSDMA-OAHLLOKOSA-N 410.517 1.868 30 10 HDEE C#C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 794893714 ALPIMQUMJBVSFV-QGZVFWFLSA-N 405.407 1.893 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)CC1 804761177 XXTJCRQLVSVWMF-MOPGFXCFSA-N 414.506 1.745 30 10 HDEE C#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(F)cc1 812748988 YXYMBZPPFBUJNM-MRXNPFEDSA-N 406.435 1.612 30 10 HDEE CC(C)(C)NC(=O)COC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 822354335 JNRWXZZKOOYHQY-UHFFFAOYSA-N 409.508 1.743 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 871820183 XQEWBOAJDHMYSJ-RMKNXTFCSA-N 411.487 1.687 30 10 HDEE CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)Cn1c(O)nc2ccccc2c1=O 916925275 KVDADTVFWZPYNP-AWEZNQCLSA-N 406.398 1.848 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)Cc3ccc(C#N)nc3)c2)CC1 1124511701 OLKGLLMNLRBWPL-UHFFFAOYSA-N 413.503 1.461 30 10 HDEE CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1)C(=O)N1CCOCC1 1126703559 CKVZGTDJBUDSJJ-PBHICJAKSA-N 418.881 1.318 30 10 HDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1130774498 NMQJINKRIOLJKU-OSRSDYAFSA-N 411.462 1.264 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)c1 1135444158 IZWDTTXFRSTPKJ-UHFFFAOYSA-N 420.512 1.952 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1135889611 PYNLDKCKWMYDJQ-HNNXBMFYSA-N 417.466 1.058 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3ccc4nc[nH]c4c3)C2=O)cc1 1141228962 LGQFCRFJZSDCKN-KRWDZBQOSA-N 402.414 1.956 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](c2cnn(C)c2)c2noc(C)n2)c1 1141503658 WCNKAGWYWJTICC-KRWDZBQOSA-N 413.459 1.428 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2 1141592155 ZWWICRBRWXDFPS-AWEZNQCLSA-N 413.455 1.655 30 10 HDEE CC#CC[C@H](CO)NC(=O)CCCS(=O)(=O)c1ccc(Br)cc1 1144922422 IPJHQEDMDYXFTM-CQSZACIVSA-N 402.310 1.894 30 10 HDEE C=CC[C@@]1(C(=O)N(C)CC(=O)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 1149759116 MWILZIGCEVBSMC-NRFANRHFSA-N 408.543 1.565 30 10 HDEE C#CC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)C1 1158397294 DGDCJZGAHNBRRT-UHFFFAOYSA-N 400.859 1.086 30 10 HDEE CON(CCNC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1159688979 PCVDOXQUZVYASL-OAHLLOKOSA-N 402.451 1.826 30 10 HDEE COc1cc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc(Cl)c1OCC(N)=O 1165489225 JYVDNSPMMZFNQG-MRXNPFEDSA-N 417.849 1.890 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@@H]2c2ncc(Br)cn2)CC1 1176288188 LWFMRZQEBILTSQ-MRXNPFEDSA-N 406.328 1.544 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CC[C@@H](COC)O2)c1 1178597940 MSSMVYCSZJLTQA-SXLOBPIMSA-N 421.515 1.519 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)ccc1Br 1188688163 DURWZYSUYTZENX-IUODEOHRSA-N 401.282 1.937 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1196393521 PDRWUVWOMPRESL-XFQXTVEOSA-N 407.536 1.906 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCC[C@H](N2CCOCC2)C1 1211933286 CPFWEDVWDGTDDT-ZDUSSCGKSA-N 414.325 1.806 30 10 HDEE COC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCOCC1 1248374476 ARXIOCKHFQEYOA-RBUKOAKNSA-N 400.479 1.400 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@]3(CO)CCc4ccccc43)C2=O)cc1 1248376520 ZSOHBGGRKCYPLD-XUZZJYLKSA-N 418.497 1.835 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)cc2C1=O 1280310715 QMDUZWMBAOKAAF-SFHVURJKSA-N 410.451 1.868 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1286323893 JVRUQNLGNBSKPY-GOSISDBHSA-N 402.543 1.234 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CC1(O)CCS(=O)(=O)CC1 1286368578 VQUGLZQEQKLRSL-UHFFFAOYSA-N 409.899 1.003 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1286390125 XNRWDOYEPIADPD-JKSUJKDBSA-N 405.524 1.212 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286392032 HMFCCDXUTQYJQI-KBAYOESNSA-N 406.552 1.987 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnn(CC)c2)CC1 1286473651 PWRZFGUGCMQFJB-UHFFFAOYSA-N 420.477 1.873 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[C@H](OC)C(CC)CC)CC1 1286480537 YRJTXHYOQIVLEG-MOPGFXCFSA-N 416.570 1.826 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncc(F)cn2)CC1 1286712476 ZXMNKDHSEFVMIM-INIZCTEOSA-N 417.489 1.630 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1ccc(O)cc1 1286786334 QYYJBIKLMBVWRC-SJORKVTESA-N 410.478 1.579 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1 1291302825 HCHTXNVIEQOJEB-HNNXBMFYSA-N 408.466 1.216 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CC1([S@@](C)=O)CC1 1292032440 CCJMNIYOCGXUSD-MUUNZHRXSA-N 406.556 1.848 30 10 HDEE C[C@@](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)(C(N)=O)c1cccc(Cl)c1 1294110986 GWGUTHXTHGYUDO-SFHVURJKSA-N 423.853 1.907 30 10 HDEE CCOC[C@H](C(=O)OC)N(C)C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1295063836 FIXTYKOFQBLXPW-QGZVFWFLSA-N 405.300 1.944 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ccc(C(=O)OC)s2)s1 1299644148 NADJDPYMBLIYKW-UHFFFAOYSA-N 414.530 1.919 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccncc1Cl)[C@@H]1CCS(=O)(=O)C1 1300504875 UZCYNUUUFNGGAI-OAHLLOKOSA-N 423.926 1.538 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)c1 1300777479 XWSJICCYORGGCA-INIZCTEOSA-N 410.492 1.334 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)OC)C2)cc1 1302008008 NXINLHCSZOOOHT-LJQANCHMSA-N 412.467 1.511 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1302465928 HMKWQKTYAKUQBJ-UHFFFAOYSA-N 417.491 1.501 30 10 HDEE C[C@@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1302786625 UZSREXIZBDGONG-VQIMIIECSA-N 405.376 1.773 30 10 HDEE Cc1ccc(C(=O)N2CCC(C(=O)OC(C)C)CC2)cc1S(=O)(=O)NCC#N 1303775727 NWXVVXIOMWPDBE-UHFFFAOYSA-N 407.492 1.601 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]3C=C[C@H]2C)CC1 1303792811 QWQNGHYBRFNCBL-DTZQCDIJSA-N 411.424 1.186 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)NCC#C[C@H]2CCCCO2)c(OC)c1 1305001744 PAXCPZVYXOMYMQ-VQIMIIECSA-N 400.475 1.997 30 10 HDEE CCOCc1nnc(N2CCN(C(=O)c3ccco3)CC2)n1Cc1ccc(C#N)o1 1314384561 YLGGKXBKPUSSRP-UHFFFAOYSA-N 410.434 1.883 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCOC2=O)CC1 1316537502 CUALIHGTTDEPQP-OAHLLOKOSA-N 401.471 1.202 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(C(F)(F)F)CCOCC3)C2=O)cc1 1325436379 CKAZSOUPGZVXDZ-CQSZACIVSA-N 424.379 1.991 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1342261956 HPXNZSWGJRVUOT-INIZCTEOSA-N 424.519 1.710 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1358917953 GUBAEYJOIXYPCJ-QZTJIDSGSA-N 401.511 1.761 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1358960733 KSWMDYULSCQLNZ-OXJNMPFZSA-N 417.535 1.518 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCOC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1358961183 SRGXNOADUDNVBA-MRXNPFEDSA-N 420.539 1.120 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCN(C)C 1358979839 ZFRAEXSTNKKFBG-FQEVSTJZSA-N 409.490 1.442 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCS[C@@H](C)C1 1359133275 OLGHIMLNLXFVLW-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CC(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1cccnc1 1359661137 DLRMKLHAGGXHAD-SQNIBIBYSA-N 409.494 1.793 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCOC(C)(C)C 1360692926 BWGRODNHFHEAEL-KSSFIOAISA-N 412.560 1.833 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)COc3ccc(C#N)c(Br)c3)C2=O)cn1 1435239598 CXSJBXIVIMENSX-HNNXBMFYSA-N 418.251 1.355 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cn(Cc2ccc(Cl)cc2Cl)nn1 1435647901 NZEDHZVGNDADKO-UHFFFAOYSA-N 403.291 1.964 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O)C(=O)OCC 1438909586 UWAIQSJUHHBKOX-QVKFZJNVSA-N 417.462 1.476 30 10 HDEE Cc1nnc2n1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)[C@@H]2C 1440291854 WSFDUJGYCXDUNF-MLGOLLRUSA-N 407.434 1.267 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1 1441453699 WXWRCAGLXKPHFQ-STQMWFEESA-N 424.951 1.054 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)c2ccc(OC)cc2)c1 1451103141 FAGINZOGWRBSGM-GOSISDBHSA-N 401.484 1.998 30 10 HDEE Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCC[C@@](C#N)(c2ccccn2)C1 1460609831 ZUJBTTBBNNZZNV-FQEVSTJZSA-N 413.503 1.533 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 1463518927 MJPMNLLJFSSGAW-ROUUACIJSA-N 408.520 1.599 30 10 HDEE Cc1nn(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)c(=O)o1 1464297686 LJKMORHXYBKQRQ-PGMHBOJBSA-N 421.479 1.376 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNS(=O)(=O)CC2(C#N)CCCCC2)C1 1464636299 CPQVDWVBNKBJAP-SFHVURJKSA-N 401.529 1.752 30 10 HDEE Cc1cc(C(=O)N(C)C2CCN(CC(=O)N3CCN(C)CC3)CC2)cc(C)c1C#N 1464845096 NCQDAAYKYDAOEP-UHFFFAOYSA-N 411.550 1.486 30 10 HDEE CN(C)CCN(C(=O)c1cccc(C#N)c1Br)[C@@H]1CCS(=O)(=O)C1 1465665789 IHZQQRVBZZTTTE-CYBMUJFWSA-N 414.325 1.512 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)C)cc1C(=O)N(C)CCCc1[nH]nc(N)c1C#N 1466130537 QXEUKRRJLSTQDD-UHFFFAOYSA-N 404.496 1.127 30 10 HDEE CN(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)C1 1468920982 PUZYQTZNKKGUHH-INIZCTEOSA-N 406.508 1.640 30 10 HDEE COC(=O)c1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)nc2n1CCC2 1470550431 XKQBWWCBZFVCOI-UHFFFAOYSA-N 406.395 1.305 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCC(S(C)(=O)=O)CC2)n1 1471352432 OICLEUPPMRGMJN-UHFFFAOYSA-N 410.540 1.278 30 10 HDEE C[C@@H]1[C@@H](CO)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1473541619 GATGVLCSVWDJSE-HZPDHXFCSA-N 413.478 1.548 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(CCC)CCC)CC2)cc1 1475273382 JBJLZCNOGDABEU-UHFFFAOYSA-N 413.565 1.341 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1494787228 RTBBKAJPXVTFAK-CBGDNZLLSA-N 413.478 1.338 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@]1(C)COCCO1 1496840494 NFMDGJWWWFVWAL-RTBURBONSA-N 408.478 1.444 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C2CCC2)C1 1505315470 QWSNLWFUVCGZFY-OXJNMPFZSA-N 404.490 1.920 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1cnn(CCOC)c1 1507612273 WFTSIIWMRIRERO-UHFFFAOYSA-N 410.478 1.923 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCO[C@H]1CCOC1 1507618985 WDMLUUDZPGEKHA-HNNXBMFYSA-N 403.508 1.535 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC1 1507670036 XSDQEGFVCCKIRX-SFHVURJKSA-N 403.552 1.129 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1507681164 SYXPXTNRIRWQCN-UHFFFAOYSA-N 413.507 1.468 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1C[C@H](N1CCOCC1)C(F)(F)F 1507698234 RMURGGZSTNZSMB-KRWDZBQOSA-N 422.455 1.987 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@](=O)CC)C1CC1 1507989980 GMBRKVDUKYZIAI-GDLZYMKVSA-N 412.523 1.844 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)nnc1C(C)(C)C 1508097593 JCXANLZVRHBYKO-INIZCTEOSA-N 417.558 1.460 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C)C(=O)[C@H]1C 1508143959 LSCZFRMGBNVKQF-CQSZACIVSA-N 423.564 1.198 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1508593177 DLVIIPUSMMWFSK-OKZBNKHCSA-N 402.543 1.583 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCC(=O)N(C)C 1509215879 ZEZVJOGALAJAPB-UHFFFAOYSA-N 410.526 1.548 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)C(=O)C1 1509745916 FQBOXCAOEHXBKY-UHFFFAOYSA-N 407.478 1.152 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cn1 1509825618 FSVDAQLSGYXAGG-CVEARBPZSA-N 411.466 1.188 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1517020704 IGRYGJFNXMOMDB-QFIPXVFZSA-N 423.521 1.111 30 10 HDEE C=CCCn1cc(C(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)nn1 1517064428 MIGCGCFMTLJHIX-UHFFFAOYSA-N 412.494 1.445 30 10 HDEE CN(Cc1ccc(C(N)=O)cc1)c1nnc(-c2cnccn2)n1Cc1ccc(C#N)o1 1517108868 KTKUYXDXMNUXIZ-UHFFFAOYSA-N 414.429 1.983 30 10 HDEE COc1ccncc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1518540167 DARBQGWWLABQPO-QWHCGFSZSA-N 407.500 1.079 30 10 HDEE CCNC(=O)C1(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCC1 1520077643 HUPSTDCGDXWORZ-AWEZNQCLSA-N 402.882 1.987 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC3(CCOCC3)O2)cc1 1536910088 FWUSAHWXESWXDW-INIZCTEOSA-N 407.492 1.337 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3COC[C@@H]3C3CC3)CC2)cc1 1537608627 AFAIJTCQNYMGTG-MOPGFXCFSA-N 403.504 1.500 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(C)(C)COCC)[C@H]1CCS(=O)(=O)C1 1539222572 WQRNPOLBWOQJBG-IRXDYDNUSA-N 424.567 1.471 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1sc(C)nc1C 1539416980 WNQSEIPLKIABQK-OAHLLOKOSA-N 423.564 1.388 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccccc1 1539421731 WTOZVSOPKFXNRB-QFIPXVFZSA-N 411.506 1.394 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@](C)(O)c2ccsc2)CC1 1539446527 FITWDOWUJWXDKE-OXJNMPFZSA-N 401.536 1.506 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1539515097 XMUJCCGSBFGJNH-AGIUHOORSA-N 417.457 1.752 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539793817 YZYRDFKHHBKHRS-CQSZACIVSA-N 403.874 1.792 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540033336 FQBYEVXIGGOGEP-QGZVFWFLSA-N 418.542 1.563 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@H]2CCC(=O)N2)n1Cc1cnnn1C 1540138023 YMGBTIORESKZAC-QGZVFWFLSA-N 410.457 1.738 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(F)cccc3[N+](=O)[O-])CC2)cc1 1540728562 LVLOULTZSCRSEM-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540865865 VDNMYRBXVAACID-SFHVURJKSA-N 423.521 1.366 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1540872908 FLDRWXSUACVLEQ-MRXNPFEDSA-N 422.493 1.642 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N3CCNC3=O)c2)s1 1540920429 BMHGKXLKKIIEJS-UHFFFAOYSA-N 420.516 1.923 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCS(C)(=O)=O 1541152557 DEAHGQPEJJYONJ-UHFFFAOYSA-N 418.523 1.545 30 10 HDEE CCN1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1=O 1547692045 WZRSWCUKDAGTKM-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CCCCCC1 1555753904 XXFSIRIPSMUFBW-KSZLIROESA-N 419.526 1.816 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CN(C)C)c1ccc(Cl)cc1)c1cc[nH]n1 1556359751 DKNOPFKZMCXBNT-INIZCTEOSA-N 421.885 1.766 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O 1558006772 GYFQBTUJRXEYCR-QZTJIDSGSA-N 419.526 1.833 30 10 HDEE C#CCOc1ccccc1CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C 1558932978 CHDCYXPPCWAMEF-UHFFFAOYSA-N 421.457 1.319 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)OC 1559024665 PKFMCJLYNGIEOS-BXUZGUMPSA-N 422.425 1.996 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H](C)C(=O)c2[nH]c(C)c(C(=O)OC)c2C)n1 1559804188 CTUDOIDXQWXTLN-MRXNPFEDSA-N 400.479 1.968 30 10 HDEE N#Cc1cn(CCNC(=O)NC[C@@H]2CCCCN(Cc3ccccc3)C2)c(=O)nc1O 1564883164 CQUWWARKJDHGFR-SFHVURJKSA-N 424.505 1.422 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)n(CC(F)(F)F)n2)cc1 1570480332 ICUMDXSJLJNFKE-UHFFFAOYSA-N 400.382 1.918 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN(C(=O)N3CCN(C)CC3)CC2)cc1OC 1585238275 YHVVDIPPLLZCGS-UHFFFAOYSA-N 402.495 1.385 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1587620304 BZLDLENYDIVKGY-CQSZACIVSA-N 416.489 1.740 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1587673817 SHZJAELTAVUDDG-HUUCEWRRSA-N 406.483 1.889 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](OCCOC)C1 1587846988 AFXDVPLVJMSIAE-HNNXBMFYSA-N 401.467 1.661 30 10 HDEE C=C(C)C[C@H](NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)C(=O)OC 1588127654 XUMJTJNIZCEYOD-ZDUSSCGKSA-N 400.391 1.687 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(F)c(C=O)cc3F)CC2)cc1 1588158722 YNAARFBXDFVTSH-UHFFFAOYSA-N 419.409 1.796 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1594714239 UOVNFVFZZBAKIA-UHFFFAOYSA-N 405.528 1.609 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(C)nn(C)c1C)C1CC1 1595020793 NXKQLANCGZSKJH-ZDUSSCGKSA-N 407.544 1.442 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)Nc2cc(C#N)cc(C)n2)C1=O 1595472443 ORLDOLHIFVRVTM-NRFANRHFSA-N 407.430 1.984 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1595530157 UYYIUFRERQELLK-KRWDZBQOSA-N 411.510 1.255 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccon1 1595562019 LKTWDCLMEKKNSB-UHFFFAOYSA-N 406.450 1.443 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](COCC)C1 1595569988 TVAHZNFUQWEMBM-KRWDZBQOSA-N 401.515 1.305 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1 1596809760 IYLNQDILSPRVFP-HNNXBMFYSA-N 403.487 1.005 30 10 HDEE Cc1c(CN(C)c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)cnn1C 1611862394 LJNCWEYWXFVKOG-JOCHJYFZSA-N 418.505 1.973 30 10 HDEE C[C@H]1[C@@H](C)SCCN1c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1613034494 FKKAQBOTXQAGAX-UONOGXRCSA-N 420.564 1.696 30 10 HDEE COCCCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1619811062 KCYZKCFPAJQWTP-AWEZNQCLSA-N 402.455 1.551 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@H]1C 1619984227 ZJSLBEDJQQVSOG-QZTJIDSGSA-N 420.558 1.853 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)[C@@H](CO)C1 1620573165 CMRHRSWLJNQRKW-MSOLQXFVSA-N 405.495 1.406 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1ccc(OC)c(OC)c1C)c1cc[nH]n1 1625446401 LZSMKZVEMHSISE-CYBMUJFWSA-N 418.450 1.897 30 10 HDEE CN(CCN1CCOCC1)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1627938560 VMRMVQOYQDRLCY-BATSVXPKSA-N 406.527 1.564 30 10 HDEE C#CCN(CC(=O)N1CCC(C(=O)NCCCOCC)CC1)C(=O)OC(C)(C)C 1632801795 KVRXMOCEDHVSIA-UHFFFAOYSA-N 409.527 1.638 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](N4CCCC4=O)C3)C2)C1 1634019222 FFOGSZNWXNULRX-QOQLHOOGSA-N 416.522 1.997 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OC[C@@H]3CCCO3)CC2)c1 1635808534 KCGNLZSCEPSVOZ-HNNXBMFYSA-N 410.467 1.923 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(Br)ccc2I)C1 1636813358 SJRYDBHXWSWTAO-UHFFFAOYSA-N 406.017 1.874 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)CC1 1636912658 JCPMKSFWLPDEFI-APWZRJJASA-N 415.538 1.668 30 10 HDEE C#C[C@](C)(CC)NC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Br 1636940633 HGUDOJVQMYGZKC-MRXNPFEDSA-N 417.325 1.906 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCc2cnc3c(Cl)cnn3c2)cc1 1637892611 RAULOOTVXRHNGN-UHFFFAOYSA-N 417.878 1.528 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCN2[C@@H](CNS2(=O)=O)C1 1639155535 TZOUOAXKEFCMPT-LBPRGKRZSA-N 405.398 1.245 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1639615362 LBFJNHBGRFGVKY-MRXNPFEDSA-N 402.451 1.320 30 10 HDEE N#Cc1cc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)c(F)c3)CC2)ccn1 1640005262 GSQNOOHDNCEKPP-UHFFFAOYSA-N 420.441 1.949 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C[C@@H](O)CC2(C#N)CCC2)C1 1641631937 UMCZHBZVKIKKRH-SJORKVTESA-N 408.543 1.784 30 10 HDEE N#Cc1ccc(CN2C(=O)C(=O)N(CCCN3CCOCC3)C2=O)c(C(F)(F)F)c1 1643796038 YLMWKJDZRXLYBJ-UHFFFAOYSA-N 424.379 1.590 30 10 HDEE COc1nc(N2CCN(C[C@H](O)CC3(C#N)CCC3)CC2)ncc1Br 1644741576 RDPFDTMMLHOEPG-CYBMUJFWSA-N 410.316 1.815 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1646198335 QBPIDLCUNFDNAH-OAHLLOKOSA-N 412.533 1.381 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(Cc4ccccc4)ccc3O)C2)c(=O)nc1O 1653760154 RRIJHNPWBXJFPS-UHFFFAOYSA-N 402.410 1.814 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CCC(S(=O)(=O)N3CCCCC3)CC2)cc1 1654882091 RRFFPZCHVRAXCW-UHFFFAOYSA-N 404.536 1.455 30 10 HDEE COC(=O)[C@@]1(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1655121050 HXWCEKQTXMFGRK-LJQANCHMSA-N 406.870 1.100 30 10 HDEE CCc1ccc(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)cc1 1656778828 LYFCZPFFMAPNME-UHFFFAOYSA-N 412.446 1.424 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCn3c(nnc3-c3cn(C)cn3)C2)cc1 1666222755 TUJJITBFXFJHSL-UHFFFAOYSA-N 406.450 1.642 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1668441651 IXJWWYHABJLQCM-KRWDZBQOSA-N 402.495 1.532 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 1670063090 RIMUYOVQBSJTNQ-HIFRSBDPSA-N 404.492 1.037 30 10 HDEE N#CCCCNC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1671592347 XMVLZMHCPUOKKP-ZDUSSCGKSA-N 412.231 1.777 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)cc3)C2)c(=O)nc1O 1675203052 AWFBCWPNRXWTJT-CVEARBPZSA-N 415.837 1.570 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)C1=O 1680321661 VKXPGOKMUSPBIT-QWHCGFSZSA-N 404.458 1.963 30 10 HDEE C[C@H]1C[C@@H](NC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c2ncnn21 1683984601 DSLLCXYKNOIMSV-YVEFUNNKSA-N 423.456 1.995 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1)C1CCOCC1 1684034245 AFCNPQDAWGUBMD-RBUKOAKNSA-N 406.504 1.601 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC3(CCNC(=O)O3)CC2)C1 1686055800 OCJGUCVGEOGNEG-UONOGXRCSA-N 407.471 1.420 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCC[C@@H]1NC(=O)NC1=O 1689854622 DMYQPEWRUYJGDR-WBMJQRKESA-N 416.432 1.593 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1689992118 HWDMRGJBKNDARH-ROUUACIJSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCN1CC 1690025365 OABMBHKWPAIBNN-QGZVFWFLSA-N 410.547 1.827 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2)n1C[C@@H]1CCCS(=O)(=O)C1 1690098928 XEAGNFIBLQYJDI-KRWDZBQOSA-N 402.520 1.856 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1cccc(C(N)=O)c1 1690104838 KHLMBSRSTCYQJD-UHFFFAOYSA-N 404.474 1.497 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc3c(c2)COCC3)CC1 1690148865 YBQHGNCSRMASHV-UHFFFAOYSA-N 407.518 1.927 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1690410873 AEMDISOEZPDBAD-RCCFBDPRSA-N 424.567 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCC[C@H](C)C1 1690668764 IJHCVDIWZDKSBZ-HNNXBMFYSA-N 421.505 1.731 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2nccc(C(F)F)n2)C1 1690697597 YNQNLJHJZAQSQY-JSGCOSHPSA-N 419.436 1.786 30 10 HDEE CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1691336338 DIPCYFQGQCMCBN-GFCCVEGCSA-N 400.405 1.831 30 10 HDEE CC(C)C(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1691483685 FULHETTWOJWXBX-GJZGRUSLSA-N 410.544 1.081 30 10 HDEE CC1(C#N)CCN(c2nnc(-c3noc4c3COCC4)n2CCOCCCO)CC1 1692847689 CASVZUABQNMXGJ-UHFFFAOYSA-N 416.482 1.535 30 10 HDEE CN(C1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1)S(C)(=O)=O 1696649960 HAAPFWGQOARKNC-UHFFFAOYSA-N 404.496 1.529 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1705533531 YHXWUTOHSOEUDS-DLBZAZTESA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC=CCC1)[C@@H]1CCS(=O)(=O)C1 1705558867 KKPZXDVCRSVDNL-IAGOWNOFSA-N 419.551 1.399 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@@](C)(CC)O1 1705629045 WAMHYISTEJIPHZ-MBOZVWFJSA-N 424.567 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N2CCN(CC)CC2)CC1 1705638068 WSGGQKAQYSEINE-HXUWFJFHSA-N 422.581 1.121 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](OC)C(C)C)CC1 1705648291 PYSAGSZFQOTLIV-ZWKOTPCHSA-N 403.527 1.419 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1C[C@](C)(O)CCOC 1705669778 WKMVFCJANVVYLM-NJYVYQBISA-N 406.527 1.710 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCO[C@@H]1C 1705837004 NBNINCRGKSXALF-AUUYWEPGSA-N 406.508 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2ccccc2C1 1705928350 PFGLPPAODBOQCW-UHFFFAOYSA-N 415.519 1.635 30 10 HDEE CCN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCNS(C)(=O)=O 1710136034 GFVDFAPUXWHZLV-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE C=CCOCC(=O)N1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C[C@@H](C)O2 1719938389 PVNNGYZOBPMHGR-SGTQZHETSA-N 404.507 1.221 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1cccc(C)c1 1722275360 DHXXOKPCSGELRB-CVEARBPZSA-N 405.524 1.734 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722353592 XZXZDBDBZQCAQT-AUUYWEPGSA-N 422.938 1.811 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccc(C)cc1)N(C)C)[C@H]1CCS(=O)(=O)C1 1722364793 MNNXDTKWKUMXDV-VQTJNVASSA-N 415.563 1.825 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CC2(N(C)C)CCOCC2)CC1 1722435919 WXHGHNJHVTZUHX-UHFFFAOYSA-N 409.538 1.206 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCN(CC)CC1 1722501214 WTGDPSOZHJHFTI-UHFFFAOYSA-N 417.602 1.944 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccs2)CC1 1722574107 GCQUFNOIXFPYHM-CYBMUJFWSA-N 410.569 1.990 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)C(C)(C)C 1722678190 WJJDEQQLGRKYSK-UHFFFAOYSA-N 410.544 1.531 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 1722685069 MSIBSTQGBVNGDK-HZPDHXFCSA-N 416.551 1.986 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)CC(N)=O 1722706928 BHLUFOYUVILKGR-GDBMZVCRSA-N 412.494 1.542 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(C)C)C1 1722719676 YMXKAYWUHIYXGA-SJORKVTESA-N 412.556 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 1722725557 NHOQJRMHQUTEPB-IBGZPJMESA-N 405.524 1.946 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCO1 1723225221 LMHYQWUTHGMRSV-SFHVURJKSA-N 407.482 1.755 30 10 HDEE Cc1ccc(SCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ncn(C)n2)cc1 1724461180 HEVLEBGRPGWOMU-OAHLLOKOSA-N 410.507 1.784 30 10 HDEE C#CCCCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1725835515 MDYVJMXXUNJTIR-JBCKWKTNSA-N 400.519 1.726 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNC(=O)C1CCC1 1729068821 JYRQUWFJYOWOAQ-SFHVURJKSA-N 415.542 1.298 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N(C)C 1740534364 YHWFRPDSIUSWIJ-KKUMJFAQSA-N 408.528 1.242 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1C[C@H]1COCCO1 1740608318 OBSINZFZHRBNTJ-IRXDYDNUSA-N 419.526 1.877 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1740615685 IXXWFMCTTZSVRU-KRWDZBQOSA-N 409.600 1.933 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@](C)(O)c1cccs1 1740630291 AMILXBCDKWSACO-LEWJYISDSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)s2)n1C[C@]1(O)CCOC1 1740633562 MCKMVLCBBFSRHI-QGZVFWFLSA-N 421.320 1.993 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1740667769 PMDKDUQNWFNFOK-QGZVFWFLSA-N 420.525 1.639 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCCN1CCOCC1 1740671354 FRHSVBPJGXTUJS-FQEVSTJZSA-N 411.506 1.972 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCN2CCOC(C)(C)C2)CC1 1740696202 OCMQWQAINQTGRP-UHFFFAOYSA-N 402.587 1.733 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2CC(OCC)C2)CC1 1740699235 YZYLUSJJEMDJRA-UHFFFAOYSA-N 414.554 1.361 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1CCS(=O)(=O)CC1 1740726394 ZCTFOAXQMHUZTL-OXQOHEQNSA-N 424.567 1.819 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1740786211 UVFMNHKKKXJSAP-FZKCQIBNSA-N 400.545 1.836 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740857046 BBSWAYDEHGSLKE-GOSISDBHSA-N 404.559 1.931 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740946227 BKDBCCUMTUEPIY-WBVHZDCISA-N 400.527 1.890 30 10 HDEE CCCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1745802937 FSVLSFUYRFVHMA-QGZVFWFLSA-N 424.509 1.249 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CC[C@H](CO)O1 1747730465 IRLJDWFUMASCQL-KSZLIROESA-N 410.478 1.277 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1747770374 DMXFFVRDTGZDPG-HNENSFHCSA-N 410.482 1.127 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCC(=O)NC(C)(C)C 1748789716 ATNROCQLENQYRL-UHFFFAOYSA-N 424.553 1.826 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1oc(CC)nc1C)[C@H]1CCS(=O)(=O)C1 1748801539 CKKXWYIJIBRUSJ-HNNXBMFYSA-N 405.524 1.935 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cncn1 1748924959 ALYKOMKQVJDORQ-UHFFFAOYSA-N 406.498 1.203 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@H]1C2 1749118716 ITILXMSFGBJWAZ-XAJHFOFHSA-N 409.556 1.858 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1749262298 MBINSDJAOVHADJ-RDJZCZTQSA-N 405.934 1.978 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1749564544 BXIVZWZKLHBTMX-HNNXBMFYSA-N 424.461 1.840 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749675993 ADWKDFVQVKFGKU-UHFFFAOYSA-N 423.521 1.015 30 10 HDEE CC(=O)NCCCn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1750047756 ZBRPTBBSHXRXQQ-OAQYLSRUSA-N 418.542 1.975 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C3CC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1750379297 DSGAIZMWDBJBMG-CJNGLKHVSA-N 402.396 1.861 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)CNC(=O)c1ccsc1 1757764693 XHEIGRQVEWBJGA-NRKLIOEPSA-N 403.504 1.317 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN(c2cncc3ncnn23)CC1 1760143207 ZAUFCWPCHYDBOT-UHFFFAOYSA-N 409.498 1.382 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(-n2ccnc2)c(F)c1 1760160410 CLPKFNXAHOUINR-UHFFFAOYSA-N 407.453 1.957 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCS(=O)(=O)C1 1760293796 FKFMRKZXHMAFGY-QMTMVMCOSA-N 405.524 1.046 30 10 HDEE C=CCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1[C@]1(OCC)CCOC1 1760513526 YLTXYWWSMJDENF-FQEVSTJZSA-N 407.515 1.095 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccn(C)n2)C1 1760539156 YTXZQCSZZNZQRM-GHTZIAJQSA-N 416.526 1.882 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCNS(C)(=O)=O)C1 1760544797 HKGOBYPSJWMLPK-INIZCTEOSA-N 420.539 1.369 30 10 HDEE CCc1nnc(N(C)Cc2ccc3c(c2)OCO3)n1CCN/C(O)=C1/N=CC=CC1=O 1764719836 NONSNFVSBIALCP-VXPUYCOJSA-N 424.461 1.732 30 10 HDEE CCOCc1nnc(N(C)Cc2ccoc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1767766642 KDYVPVKPOKBCTL-VHEBQXMUSA-N 414.466 1.879 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCC(=O)N(C)C 1770204091 CENSQHVALIWFSZ-KNBMTAEXSA-N 404.515 1.610 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1scnc1C 1771109143 FPSRIDUNMCIBJJ-UHFFFAOYSA-N 417.539 1.888 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1848870110 ZEVJNECLIZVHNG-GOSISDBHSA-N 400.523 1.778 30 10 HDEE Cc1cccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1849779852 XPPUDOMVMNHKRD-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE C=CCN(C(=O)C1CN(c2nc3cc(OC)ccc3s2)C1)[C@H]1CCN(C)C1=O 1849908588 UMPGBWOTEWDFAF-INIZCTEOSA-N 400.504 1.986 30 10 HDEE COCCN1CCN(Cc2ccc(C(=O)NCC3(C#N)CCOCC3)cc2)CC1 1849976843 CGTNEZIIIUOZNU-UHFFFAOYSA-N 400.523 1.501 30 10 HDEE Cc1ccn(-c2cc(N3CCN(CC(=O)Nc4cccc(C#N)c4)CC3)ncn2)n1 1850405674 JRSAIVBCVQCQKW-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE C=CCN(C(=O)[C@H]1CC(=O)N(CCc2c[nH]c3ccccc23)C1)[C@@H]1CCN(C)C1=O 1851732588 XDNOOAAUJHHYKN-FXAWDEMLSA-N 408.502 1.804 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852244209 YTCUFZSWVTWFTO-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE N#C[C@@H]1CC(=O)N(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)C1 1853390748 ZOMVVEKYDIUWFM-ZDUSSCGKSA-N 418.862 1.829 30 10 HDEE CC(C)CC(=NOCCN1CCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853481397 CKYJWJDQPSXTJD-UHFFFAOYSA-N 408.524 1.932 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1853746442 KAARLSJGFGPUNM-ROUUACIJSA-N 400.523 1.778 30 10 HDEE C=CCCN1CCN(C(=O)CCc2c(C)nn([C@H]3CCS(=O)(=O)C3)c2C)C(=O)C1 1855495216 MIUPNUXBNHPEDY-KRWDZBQOSA-N 422.551 1.039 30 10 HDEE CN(CCC#N)C[C@@H]1CC(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1855707357 XSILUXIAXYXJMF-ZDUSSCGKSA-N 404.417 1.257 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)[C@@H]2C)cc1 1855898199 ZQEOWNOPIXHCON-INIZCTEOSA-N 411.483 1.857 30 10 HDEE N#CC1CCN(C[C@H]2CC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C2)CC1 1855905772 GMEZTEOAVOYJOQ-QZTJIDSGSA-N 400.523 1.778 30 10 HDEE C=CCCN1c2ccccc2N(C(=O)[C@@H]2CS(=O)(=O)CN2C(C)=O)C(=O)C[C@H]1C 1856240455 OCXQOIBWUOHUQK-KDOFPFPSSA-N 419.503 1.324 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4cnoc4C)CC3)CC2=O)CC1=O 1856287332 YYPNYAUTFYZKIL-MSOLQXFVSA-N 414.506 1.605 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCN(c4ccnnc4)CC3)CC2=O)cc1C#N 1856360162 YYWLPJKKAFQPAB-KRWDZBQOSA-N 404.474 1.468 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1F 1857148612 CZPICPOVAYIXBI-GOSISDBHSA-N 408.437 1.358 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3nn(C)c4ccccc34)CC2)CC1 1889437390 STANVMPTCRKJDP-UHFFFAOYSA-N 409.534 1.445 30 10 HDEE N#Cc1cccnc1OC1CCN(C(=O)Cn2nc(-c3ccco3)ccc2=O)CC1 1891794367 UKCVPLDNNPXWRD-UHFFFAOYSA-N 405.414 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@H]1C(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2010398256 UDTCZBQBNWUULM-RUXDESIVSA-N 423.319 1.463 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)N2CCC(CNC(=O)OCc3ccccc3)CC2)C1 2054408627 UADDBIQWGRWCTM-SFHVURJKSA-N 406.508 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(NS(=O)(=O)c2ccc(C#N)s2)CC1 2133600401 SWWVLXJQVGUNEC-UHFFFAOYSA-N 401.510 1.660 30 10 HDEE COc1sccc1S(=O)(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2152121515 IZXOZHIQIZZFCY-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CC2(Br)Br)c(N)c1 2224802847 CYABVBBMLXNEKY-QMMMGPOBSA-N 409.103 1.925 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2234653710 LJIYHKNPHXVRSZ-KBPBESRZSA-N 405.492 1.574 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@]1(C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243674310 HRLJVWOFHJLWKW-XOBRGWDASA-N 408.304 1.667 30 10 HDEE CCn1cc(C(=O)N(Cc2ccccc2)C2CNC2)nc1B1OC(C)(C)C(C)(C)O1 2247837337 QLAABRDJGMOQRL-UHFFFAOYSA-N 410.327 1.816 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247839687 AVRSUOAQEMJPFZ-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2cn(C)nc2B2OC(C)(C)C(C)(C)O2)C1 2247919517 WBVKFOFLTBUREO-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)c(F)c1 2248404067 JVLZDENPWGZIJY-OAHLLOKOSA-N 424.278 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC(C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)=C[C@@H]1O 2250000351 HZUNGLWSPBOOPR-CVEARBPZSA-N 420.315 1.712 30 10 HDEE C#CCN(C1CCC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258167803 GLQUJXWWQSWVSV-KRWDZBQOSA-N 408.476 1.272 30 10 HDEE C=C(C)CN(C1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258178710 YQUVHJPMHXBXIN-QGZVFWFLSA-N 410.492 1.825 30 10 HDEE N#C[C@]1(C2CC2)CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2270535196 KFIMPRVTJGOQCU-VQIMIIECSA-N 421.475 1.321 30 10 HDEE Cc1sc(C(=O)NC[C@@H](C)S(N)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281940311 NYGYBKIRXIHFTQ-SECBINFHSA-N 402.347 1.071 30 10 HDEE CC(C)S(=O)(=O)C[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2281977269 MTOSWXZCSRBWAV-GFCCVEGCSA-N 401.359 1.989 30 10 HDEE CCn1cc(C(=O)N2CCCC[C@H]2C2OCCO2)nc1B1OC(C)(C)C(C)(C)O1 2282034226 FGOUOHMBKKHGCW-HNNXBMFYSA-N 405.304 1.570 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCC[C@H](C4OCCO4)C3)c(F)c2)OC1(C)C 2282051565 IQLKIFJOLOKLQE-ZDUSSCGKSA-N 406.263 1.745 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CNC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282309514 GNGNOUWHMYGLMM-CHWSQXEVSA-N 400.375 1.490 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4CC[C@]4(N)C3)cc2Cl)OC1(C)C 2282316831 IOZQSSDCRYJCLM-QFYYESIMSA-N 418.777 1.813 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H](CO)CC(F)(F)F)OC1(C)C 2282333354 NKGHBARAMJGSCO-SECBINFHSA-N 415.264 1.639 30 10 HDEE C[C@@H](O)C[C@H]1CCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282341396 RQQYKOQKJLXOHS-CHWSQXEVSA-N 401.359 1.971 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2282401223 NWUPYMYCOOAEFB-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282410341 WBNYTWLQVOIYRX-KRWDZBQOSA-N 401.359 1.900 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H](F)[C@H]2CCOC2)OC1(C)C 2282494012 YVYJARUJIOFMBF-WCQYABFASA-N 405.322 1.700 30 10 HDEE CSC1CC(N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282494570 ZJUBPDBLPKHXGJ-UHFFFAOYSA-N 401.363 1.234 30 10 HDEE CN(CC1(O)CCCC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282494661 ASJNJUCXZYSVHJ-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CNC[C@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282506185 OPKMJUWMSSUXDZ-ZWNOBZJWSA-N 400.375 1.550 30 10 HDEE C[C@H](CNC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)S(N)(=O)=O 2282524114 AGGMEGLMHHJGEQ-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCn3ccnn3)cc2Cl)OC1(C)C 2282825444 JMRNMDKUDVPKJD-UHFFFAOYSA-N 418.737 1.271 30 10 HDEE C[C@@H](C[S@](C)=O)NS(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282832859 SNGPCHGLJMVWJF-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@](C)(O)C(F)F 2282834692 MNSTWKAXXHCBIL-HNNXBMFYSA-N 411.301 1.650 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](CCO)C(F)F 2282835926 CHDVUEPLTYTAIV-JTQLQIEISA-N 411.301 1.650 30 10 HDEE CN([C@H]1CC[C@@H]1N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282838338 MYFSNNKMRTXLDU-KBPBESRZSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)OC1(C)C 2282859859 RMLUQQCORBFXRT-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE CN(C)[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282866042 CHHWVIMHRNWWNS-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@@H]2CO)OC1(C)C 2282866941 QWMVDRUWIZSCCO-VXGBXAGGSA-N 401.721 1.546 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)O)c2)OC1(C)C 2284398546 ZFRHYJYJLKBPON-NWDGAFQWSA-N 401.315 1.579 30 10 HDEE CC[C@@H]1C[C@@]1(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406429 YIKYWNIHFDPEIA-HWPZZCPQSA-N 401.315 1.579 30 10 HDEE COc1ccc(C=C2Oc3cc(OCC(=O)N[C@@H](CO)C(=O)O)ccc3C2=O)cc1 2297596210 XIWFLOOIDHJLOF-INIZCTEOSA-N 413.382 1.252 30 10 HDEE C=CC[C@]1(CO)CCCN(C(=O)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)C1 2360591510 XHXRHZPKHJFKTC-KDOFPFPSSA-N 404.529 1.102 30 10 HDEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCS(=O)(=O)C1 2362574545 UPRGUPNNZBTWKO-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 2365213546 VFNSTTUNQLHZLT-KLHDSHLOSA-N 400.541 1.283 30 10 HDEE CO[C@H](C#C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1)C1CCCC1 2369630337 AZFNFFZGLFCRGT-BBWFWOEESA-N 401.525 1.494 30 10 HDEE C#CCOCCONC1(C(=O)O)C[C@H]2CSC[C@@H](C1)N2C(=O)OC(C)(C)C 2376572873 AQBPTAHTRYOFIC-UUVAVEHKSA-N 400.497 1.496 30 10 HDEE C=CCNC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 3433750 ZKKHBGJICRJIDS-UHFFFAOYSA-N 414.483 1.893 30 10 HDEE N#CCSc1ccccc1NC(=O)CN1CCC[C@@H](C(=O)N2CCOCC2)C1 54887171 ORGNAGQKHONEMM-MRXNPFEDSA-N 402.520 1.812 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2nnc3n2CCCCC3)c1 54979911 FVRZFEBUBHUXQJ-CQSZACIVSA-N 403.508 1.960 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)NCCCN(C)C)C2=O)cc1 96567164 VHKMZMBFGCZCMB-NRFANRHFSA-N 402.495 1.476 30 10 HDEE CCc1nn(C)c(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1[N+](=O)[O-] 301940318 VWPUGQVNXVTHPC-UHFFFAOYSA-N 404.452 1.273 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1C 431226718 UEGBYKHSNWTOOO-UHFFFAOYSA-N 405.545 1.071 30 10 HDEE CN(C)CC1CCC(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 441952007 CIJSDVUGGRPDCU-FAFZWHIHSA-N 411.506 2.000 30 10 HDEE Cn1cc(-c2noc(CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2)ccc1=O 445609275 VJBDBZSJHNGXPH-OAHLLOKOSA-N 404.386 1.365 30 10 HDEE COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 462091459 ZBFOMWIURAYKIG-GOEBONIOSA-N 411.466 1.534 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)c1 462491177 QRMQVKDULZPZFJ-INIZCTEOSA-N 403.508 1.283 30 10 HDEE N#C[C@H](NC(=O)CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccc(Br)cc1 463308829 NOCSVMSCAVPCIA-HJORKGSMSA-N 418.247 1.292 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(Oc3cccnc3C#N)c([N+](=O)[O-])c2)CC1 480849805 WHLLTDFDPWZQJO-UHFFFAOYSA-N 403.420 1.590 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(F)c1 481067835 DTNSOLFSWCSUPY-QGZVFWFLSA-N 409.483 1.631 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1 503641298 FFRPAUBIBWXQCZ-UHFFFAOYSA-N 407.268 1.153 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2csc(C)n2)CC1 508831257 AOMRHJQAQYDFQX-UHFFFAOYSA-N 420.520 2.000 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)C1=O 518409939 HVXRWNYPWQQAAL-CYBMUJFWSA-N 420.416 1.022 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCSc2ccc(OC)c(OC)c2)CC1 524854254 AJCUSAWURBOTBV-UHFFFAOYSA-N 407.536 1.632 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C#N)s2)c(=O)n1Cc1ccccc1 530893065 YWDVLPNKGCCVFL-UHFFFAOYSA-N 406.492 1.140 30 10 HDEE COCCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1 543162441 NOTPQYAFNFZBIQ-UHFFFAOYSA-N 406.464 1.425 30 10 HDEE CCOC(=O)C1(O)CCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 543767122 LKOROTWHBBHDJH-UHFFFAOYSA-N 401.398 1.805 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC3CCN([C@H]4CCCC[C@H]4O)CC3)CC2)n1 545509401 WEOPEJCRTOLCGC-VQTJNVASSA-N 412.538 1.553 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1C[C@H]1CCCO1 555369453 MYDGFXPUGDMGFT-QGZVFWFLSA-N 424.509 1.189 30 10 HDEE COC[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 557249392 BMXDRJJBSHUZJJ-PMACEKPBSA-N 420.469 1.674 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)c1 561098981 JVAGKWZJBFMOLV-CQSZACIVSA-N 403.464 1.262 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)CC#N)CC2)nnn1-c1ccc(OC(F)F)cc1 565566667 MYHZLNDFLLMDPR-UHFFFAOYSA-N 404.377 1.375 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CCS(=O)(=O)c3ccc(C#N)cn3)C2=O)c(C)c1 575018631 NDSNDUVESLQSNX-FQEVSTJZSA-N 412.471 1.811 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)C1 580765254 ABCWHVYTSIKYLC-GOSISDBHSA-N 420.535 1.596 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](CSCCOc2ccccc2)C(=O)O)cc1C#N 589974769 GNNLVHSJKTXDAY-KRWDZBQOSA-N 421.500 1.805 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1 606078044 IYYOYBFOYQRHQG-SFHVURJKSA-N 421.457 1.854 30 10 HDEE CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 610589749 AZXCPTASGBVPAK-UHFFFAOYSA-N 411.427 1.233 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 619415269 BYMMJQUUQGBEMU-GOSISDBHSA-N 423.498 1.237 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 670233321 OZCRRCMIARVMAV-UHFFFAOYSA-N 414.514 1.426 30 10 HDEE C#CCCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 727042618 NXYUMEOMHLXINW-UHFFFAOYSA-N 402.266 1.650 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1CCc1ccccn1 727418128 NTMLLJUWUKGSFJ-UHFFFAOYSA-N 408.483 1.168 30 10 HDEE COCCN(Cc1ccc2c(c1)OCO2)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732465131 CODPRHIYTVTIFQ-VHEBQXMUSA-N 416.434 1.100 30 10 HDEE COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649439 VMWQUNINVAYDJC-QGZVFWFLSA-N 412.519 1.875 30 10 HDEE CCOc1ccc(Br)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732706751 NUXLSMMAVYLBQR-AWEZNQCLSA-N 421.295 1.985 30 10 HDEE Cc1nc(COc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)no1 732707224 XGFAAWCJKPHGKU-MRXNPFEDSA-N 410.434 1.094 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(F)cc2OCC(F)(F)F)CCN1C1CC1 733852829 HHEBLKQUMSMJQW-ZDUSSCGKSA-N 414.359 1.904 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1 734291335 NSDJOPLAWFDXEH-UHFFFAOYSA-N 414.411 1.982 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 734293248 PIUKNGJTUWEEHA-CQSZACIVSA-N 401.419 1.864 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 747336120 AOQZPYMLRYSVMI-NRFANRHFSA-N 416.485 1.763 30 10 HDEE Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 748414631 QDOMBICXJQTLDP-UONOGXRCSA-N 415.471 1.937 30 10 HDEE Cc1cc(C#N)ccc1C(=O)O[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 748414633 QDOMBICXJQTLDP-ZIAGYGMSSA-N 415.471 1.937 30 10 HDEE C#CCOCCC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 755403833 GHQYVLCCRFFPJB-UHFFFAOYSA-N 404.410 1.578 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)OCC3CCC(C#N)CC3)cc2S1(=O)=O 755975874 YSQJCPVNFQDKBQ-UHFFFAOYSA-N 406.460 1.964 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)Nc2nc(C)n(C)c2C(=O)NCCO)cc1OC 763737389 QAFVAFNKGHFKFW-VQHVLOKHSA-N 414.462 1.676 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(Cc2ncn(C)n2)C1=O 768422498 SXGNPTXGBLRKAA-OAHLLOKOSA-N 415.523 1.015 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](CC(=O)O)C1 769527584 OEZNHMYGPZJSGE-HOCLYGCPSA-N 421.519 1.997 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ncc(-c2ccccc2)cn1)c1cc[nH]n1 772560152 KNIUNWNGLSLMBU-UHFFFAOYSA-N 408.418 1.467 30 10 HDEE Cc1c(Br)cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)c(=O)n1C 774029780 NNSRQMQICGQSIN-UHFFFAOYSA-N 424.276 1.588 30 10 HDEE C#CCN(C(=O)NC1CCN(c2ccc(N(C)C)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 774235700 SPNUSFQHWRBLBR-HXUWFJFHSA-N 418.563 1.553 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@@H]1CCCO1 776226881 HPQLYYCNLHABNI-ROUUACIJSA-N 417.506 1.720 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)Nc1ccc(S(C)(=O)=O)cc1 780180196 PCWBIDFBOIMGSB-LJQANCHMSA-N 424.475 1.833 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)NC(=O)c2n[nH]c3ccccc23)n1 790107664 JFXQAAPLTSXLTN-OAHLLOKOSA-N 408.462 1.186 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)O)c2)ccc1F 799249980 CYCVPRYWAZOSLH-UHFFFAOYSA-N 410.427 1.559 30 10 HDEE C#C[C@H](C)Oc1ccc(COC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 802809461 IGNDTDYLGHSQJJ-AWEZNQCLSA-N 421.453 1.952 30 10 HDEE COc1ncccc1CCNC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 810981608 UAZXXTQEZFNYBG-CYBMUJFWSA-N 402.476 1.266 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)c1ccc(F)cc1 812749899 FCILOEOSDHFHKO-GOSISDBHSA-N 402.447 1.792 30 10 HDEE CSc1ccc(N2C[C@H](C(=O)NS(=O)(=O)c3cncc(C#N)c3)CC2=O)cc1 813980257 XTFRITPDYWNQHX-CYBMUJFWSA-N 416.484 1.533 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 914680255 WEHLVZFJJAYARG-ZDUSSCGKSA-N 403.398 1.964 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 916775247 MWMFOSCRRMCFPC-IYBDPMFKSA-N 403.460 1.070 30 10 HDEE COc1cccc(C=NNc2nnc(SCC(=O)NCc3ccccc3)n2N)c1 1083922621 FZRLXFQGCYGRBJ-UHFFFAOYSA-N 411.491 1.855 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N2CCC[C@H](C)C2)n[nH]1 1084017557 CAXLXCZHQWXFJG-LBPRGKRZSA-N 420.543 1.407 30 10 HDEE CS(=O)(=O)c1ccc(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1124649961 AUANUBLICAWRKK-UHFFFAOYSA-N 403.464 1.093 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1128218887 JIBSEKAUUFCFIB-JCGIZDLHSA-N 421.881 1.501 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)nn1 1130122813 WEFSQWLNBJPEBO-OAHLLOKOSA-N 403.508 1.815 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)NC(C)(C)C)c1 1132666951 YWXKKEWDEIQOMX-UHFFFAOYSA-N 415.899 1.946 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(C(F)(F)F)ccc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1134056368 OVQPFFYUKXEZFH-HZMBPMFUSA-N 403.338 1.624 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1135762866 UAOHZDAKZSQCDR-QGZVFWFLSA-N 422.468 1.737 30 10 HDEE Cc1ccc(C(=O)NCCN2CCCS2(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 1136457333 JNCBNORYHNOVPQ-UHFFFAOYSA-N 408.329 1.060 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NC[C@H]1CCC[C@@]12NC(=O)NC2=O 1136977742 PSQOIJZLWFAOJK-BMLIUANNSA-N 421.251 1.194 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCCOCC(=O)OC 1150824252 QLLBYGYZEAVYOT-UHFFFAOYSA-N 415.240 1.404 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3nc2OCCC)CC1 1152973425 JIRRBZIUTBSFLK-UHFFFAOYSA-N 416.503 1.249 30 10 HDEE C#CCn1cc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2C(=O)N3CCC)cn1 1156662073 VPAQYDFPVUZFDH-JOCHJYFZSA-N 405.458 1.522 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)cc1 1159047908 SEFYICYXILTOFF-UONOGXRCSA-N 409.508 1.630 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc4c(Br)cccc4[nH]3)C2)c(=O)nc1O 1159489504 DPNHCOKJLSYUAD-UHFFFAOYSA-N 414.219 1.761 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)C1(C#N)CCSCC1 1161568706 VDZAFANGTVOVKI-UHFFFAOYSA-N 401.485 1.347 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(-n3nncc3C)cc2)cc1S(=O)(=O)NCC#N 1163131438 FZMAFDFUEANOML-UHFFFAOYSA-N 410.459 1.938 30 10 HDEE CNC(=O)NC[C@@H]1CN(C(=O)c2cccc(CNc3ncccc3C#N)c2)CCO1 1167105254 MOPLEFPCEODZNV-GOSISDBHSA-N 408.462 1.335 30 10 HDEE C#CC[C@H](COC)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1169299495 GQNODDCACNMGQD-OAHLLOKOSA-N 410.492 1.061 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1 1214815622 XAYCBBYDXQKDKW-MRXNPFEDSA-N 415.471 1.959 30 10 HDEE C#CCN1CCC(C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1285261936 SBVOPCFCPSBRQC-ZJKGHYPUSA-N 401.551 1.402 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@H]1OC 1286462797 WGJGNNIXTGQBGH-NVXWUHKLSA-N 415.494 1.907 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cn2ccccc2n1 1286464407 ABPVVIDDZCKSPF-QGZVFWFLSA-N 407.478 1.206 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCCCn2ccnc2C)CC1 1286476612 AJDOUBGUNLDHBN-UHFFFAOYSA-N 405.510 1.476 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC=C(COC)CC1 1286495841 GRRNENZNFKSGJA-CQSZACIVSA-N 413.569 1.038 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCN1CCCCC1=O 1286514836 QKGZLHKRRPOXHA-OAQYLSRUSA-N 400.527 1.811 30 10 HDEE CC(=O)NCCCn1c(N2CCN(c3ncccc3C#N)CC2)nnc1C(C)(C)C 1286954808 JBWVSGKMQKOMIY-UHFFFAOYSA-N 410.526 1.695 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCOCC1 1291189436 BDYDYWMEWPQYGU-QGZVFWFLSA-N 423.521 1.206 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C[C@@H](C)O1 1291279080 IDYRPFMDJDMSKN-GASCZTMLSA-N 419.507 1.387 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)/C=C\C(=O)NCc2ccc(OC)cc2)c1 1291748596 JHQBGYZZBFCIOU-SEYXRHQNSA-N 405.454 1.946 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)C[C@@H](C)C#N)CC1 1296130940 GQHNJVGTYHPTAR-OALUTQOASA-N 410.570 1.886 30 10 HDEE CNS(=O)(=O)CCn1c(N(C)C[C@@H](C)C#N)nnc1C1(c2ccccc2)CCC1 1299323339 NMPHTEIILLUEAM-INIZCTEOSA-N 416.551 1.893 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(Cc4cn[nH]c4)CC3)ccc2c1=O 1299622935 POYURBOJYUUOFA-UHFFFAOYSA-N 410.503 1.552 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(N2CCOCC2)n1 1300299763 SSNQXMCODLGNRZ-INIZCTEOSA-N 406.494 1.416 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)C(C)C 1300466682 ZYHCLESKXGKYPD-QGZVFWFLSA-N 420.558 1.996 30 10 HDEE C=CC[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)C1 1300477453 JKSMYKAKCHIAAG-SFHVURJKSA-N 419.547 1.968 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2CCN(C3CCOCC3)CC2)c1 1300624880 UJHKWPWNILGEOX-UHFFFAOYSA-N 419.547 1.219 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCSC1 1300673479 LTESZXBFXRLQLB-SFHVURJKSA-N 407.565 1.588 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1300732334 AQAKNIRUOLPSCJ-UHFFFAOYSA-N 406.556 1.342 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1301216310 IJJLEKZPBQXREA-AWEZNQCLSA-N 400.483 1.934 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1301298111 YTROWHZFSMTKKZ-QGZVFWFLSA-N 409.450 1.566 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1301508697 QYFLULQWKZNVIN-CYBMUJFWSA-N 414.432 1.038 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CC[C@H](C(N)=O)C1 1301510178 UMLNINQSOWVHST-INIZCTEOSA-N 412.494 1.088 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1301967763 GKMWOKCZJHWRBF-BZUAXINKSA-N 420.539 1.672 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCCCCC1 1302311202 IYTYXRGMRSJOJR-OTWHNJEPSA-N 418.542 1.607 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)C1 1302442517 SJTOKFWSZWQVEC-UHFFFAOYSA-N 409.494 1.257 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCCc2cccnc21 1303411204 JBOZLCOPCXXHBT-IAGOWNOFSA-N 409.494 1.660 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)CC(=O)NC(C)C)n1Cc1ccc(C#N)o1 1305725996 YZQFSZJMLPKJBX-UHFFFAOYSA-N 415.498 1.670 30 10 HDEE C#C[C@H]1COCCN1S(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1 1309576100 VVQBQJWAEVMQOY-AWEZNQCLSA-N 404.410 1.320 30 10 HDEE CN(CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)C1CCCCC1 1314861658 ZBWBKTMDBWHIFF-SJORKVTESA-N 401.515 1.222 30 10 HDEE COCCCn1c(Cc2ccncc2)nnc1N1CCN(c2ncccc2C#N)CC1 1316041221 FBFRPNNVFXZAFE-UHFFFAOYSA-N 418.505 1.894 30 10 HDEE C#CCC1(C(=O)N2C[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)C[C@]3(C)C2)CCOCC1 1345935074 FBWAUXKUEWOASH-SXUUSABNSA-N 400.519 1.681 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cc(C(F)(F)F)nn2C)c1 1357766712 GTPYABYWFHCZCJ-UHFFFAOYSA-N 420.391 1.926 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCc1cnc2c(Cl)cnn2c1 1358870539 OWFOWUUXBNQHMI-ZDUSSCGKSA-N 414.901 1.813 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CCC1)[C@H]1CCS(=O)(=O)C1 1358962973 ZWTHVZFGQSYBQV-GJZGRUSLSA-N 405.524 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@]1(C)CN(C)C1=O 1358972224 YDULBRBBYWKYLZ-JOCHJYFZSA-N 407.474 1.513 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1N(C)CCCC1(C)C 1358997512 VSXDCJCICRZONM-IBGZPJMESA-N 410.566 1.984 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1CC[C@@H]1COCCO1 1359026215 OPMVOGLKFSBDGR-QGZVFWFLSA-N 405.524 1.525 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC(C)(C)N2CCOCC2)CC1 1359040833 HIXRAAFZVMJYEC-UHFFFAOYSA-N 416.570 1.478 30 10 HDEE C=CCCCCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359204966 HHALFDZEAQVRTD-MRXNPFEDSA-N 414.535 1.434 30 10 HDEE C=CCSCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359346208 FMVUXEZNTARCJQ-PXNSSMCTSA-N 423.583 1.370 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CCC3)C2)n1Cc1ccc(C#N)o1 1360685903 PQTUJTZKSZPFFW-CYBMUJFWSA-N 404.496 1.782 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)Cc2cnn3ccccc23)c1 1434895566 QKQUTXWWAUYOPZ-UHFFFAOYSA-N 402.454 1.750 30 10 HDEE C[C@@H]1CS(=O)(=O)CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1439566693 JPFUDSYWMAEDIM-OCCSQVGLSA-N 409.895 1.600 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1448578289 SWDZXRIUTHELJX-ULQDDVLXSA-N 409.527 1.847 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1449528153 AFPQLXOMCGVZQY-YXJHDRRASA-N 418.469 1.620 30 10 HDEE C[C@H](C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1452948478 YESYDXUQSIZZCS-BMGDILEWSA-N 405.495 1.914 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)cc2)nc1 1456026147 QCZPPFUPKIAWMZ-INIZCTEOSA-N 401.444 1.367 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC2CC(NCC(F)(F)F)C2)ccc1F 1456645446 ITVDMAHKCCIKRD-UHFFFAOYSA-N 409.405 1.703 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cn3cc(C#N)cn3)cc2)C[C@@H](C)O1 1459040272 KJVSDPUWHZDUNH-ZIAGYGMSSA-N 403.464 1.191 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1 1460025328 DIYOOGFSIKADRR-LBPRGKRZSA-N 420.447 1.566 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 1462631909 SJGJBVZKZYKKQB-HNNXBMFYSA-N 401.492 1.475 30 10 HDEE C=C(C)CS(=O)(=O)N1C[C@H]2C[C@H](NC(=O)OC(C)(C)C)C[C@@]2(C(=O)OC)C1 1464516464 MNRLQUKXSHPBII-QWQRMKEZSA-N 402.513 1.671 30 10 HDEE N#C[C@]1(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2O)C[C@H]2CC[C@H]1C2 1466626459 LJERLBOSZZPJOG-CKFHNAJUSA-N 405.476 1.682 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1 1471834729 JDUGMGVWVUYLSB-SJORKVTESA-N 416.526 1.678 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2coc(C(=O)N(C)C)c2C)c1 1474853946 MJVCZYRZABXHGS-UHFFFAOYSA-N 403.460 1.530 30 10 HDEE CO[C@@H](CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)C(F)(F)F 1503956387 CPHZLGDHSIHFMM-CABCVRRESA-N 410.400 1.960 30 10 HDEE CSCCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1505251263 FENXNXIRDISMID-LBPRGKRZSA-N 412.541 1.591 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCN(C(C)=O)CC1 1507524428 BKGQFPBTPOPXJO-MRXNPFEDSA-N 424.505 1.296 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ccn(C)n1 1507533715 SKSQCHTWIMBLRF-MRXNPFEDSA-N 405.510 1.692 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1507605606 WKYUJFUXXDOAPT-FOIQADDNSA-N 407.515 1.913 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1507625824 LHMVKXLFRKBPBT-QGZVFWFLSA-N 418.519 1.669 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1507627321 DHHPRIPZDBYKFW-SJORKVTESA-N 406.483 1.556 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1CCS(=O)(=O)CC1CC1 1507657315 VLZKUWWXMZRWJX-UHFFFAOYSA-N 402.545 1.828 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1507864550 XLNYJWBVXINSES-UHFFFAOYSA-N 422.873 1.053 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 1507936550 GTLDRFKMVBAIJI-OAHLLOKOSA-N 416.530 1.957 30 10 HDEE C=CCn1c(N2CCO[C@@H](c3noc(C)n3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1508066938 JDGZPBZGNDXKHU-DNVCBOLYSA-N 404.471 1.774 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N1CCC(C(N)=O)CC1 1508094512 GUZFFHITTKVXPT-UHFFFAOYSA-N 421.505 1.285 30 10 HDEE Cc1cnn(CCn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)c1 1511417460 OVADCALPBTYFFU-QGZVFWFLSA-N 408.422 1.787 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCC[C@@H](C)C1 1519162706 HEBOIXLZXFVAHQ-IAGOWNOFSA-N 403.531 1.328 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1534516754 UWBHGBXEWUUCLQ-IBGZPJMESA-N 423.535 1.389 30 10 HDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)Cc1ccc(Br)cc1C#N 1536539614 SXPJAVMORSLDDG-DOMZBBRYSA-N 423.263 1.816 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCCN2CC(F)(F)F)cc1 1537401771 NFUSDDIQNYCOJD-CQSZACIVSA-N 418.441 1.635 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1538973791 QBOHWIIJVIWRHM-PTAUBWNISA-N 423.539 1.464 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1539025660 KJUNCRRRXWLWFM-OAHLLOKOSA-N 412.469 1.428 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1539204095 YPVUARXBKMDZPI-CYBMUJFWSA-N 404.483 1.832 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(F)cc2)n1CCS(=O)(=O)CC 1539337730 RZEBWEBOBLIXSA-UHFFFAOYSA-N 418.494 1.894 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC[C@]2(CCOC2)O1 1539414476 VFWFQPANHWPHKN-LVCYWYKZSA-N 404.511 1.944 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2C(=O)CNC2=O)c1 1540696688 RBOKJTJHMPXNGD-INIZCTEOSA-N 414.462 1.984 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCCOC2)C1 1540863474 XDOVEPBLDGGZTC-OXQOHEQNSA-N 407.515 1.311 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(Cn2cncn2)CC1 1540872873 DEOGQXNBEWIAJP-UHFFFAOYSA-N 421.509 1.074 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CC2CCS(=O)(=O)CC2)C1 1540889153 GARNKOSVDNDDSO-SFHVURJKSA-N 417.535 1.946 30 10 HDEE CC(C)(C)C(=O)NCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1541136863 CDXPNAJXMYFMLZ-UHFFFAOYSA-N 424.509 1.828 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1=O)C(C)C 1542932491 SCFIFHWYMSKPBL-GOSISDBHSA-N 422.570 1.881 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N(C)CC(F)F)CC2)s1 1544773041 SNHVEYUPBQITOY-UHFFFAOYSA-N 421.535 1.943 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1=NN(c2ccccc2)[C@@H](C(=O)OC(C)(C)C)C1 1544786422 NPYQMHSCMJJUOO-QGZVFWFLSA-N 414.462 1.878 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@@H]2CCOC2)CC(=O)N1C 1545061544 UAQPWUXOGKKJCK-FUHWJXTLSA-N 424.505 1.822 30 10 HDEE COC(=O)c1ccn(CCCC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)n1 1545718538 KLRBQPSSDPEWFM-UHFFFAOYSA-N 411.462 1.921 30 10 HDEE CCc1nnc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)C[C@@H](C)C#N)s1 1546398985 GIKKZEYHIVRFNO-LBPRGKRZSA-N 411.495 1.983 30 10 HDEE CCOCc1nnc(N(C)C[C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1548090384 WDPYMAKRTWPHRQ-AMGRQBIBSA-N 418.498 1.346 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1555175296 UXECVZKCNSPYSL-ZMMDAZFZSA-N 400.483 1.543 30 10 HDEE COCCN(C)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1555512346 IVJCXSIHRAWJCJ-ZZEZOPTASA-N 410.478 1.863 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1CC1CCN(C(=O)OC)CC1 1555557797 CSJUMABZXQPMLH-QGZVFWFLSA-N 420.514 1.627 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)cc1 1555989004 VYZPSVSYPFUCET-CZIZESTLSA-N 403.446 1.943 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cccc(S(=O)(=O)N=S(C)(C)=O)c1)C(=O)OC 1558383352 LGHOWGRJHHLSLF-OAHLLOKOSA-N 416.521 1.731 30 10 HDEE N#Cc1ccc(C[C@H](C#N)C(=O)NCc2cn(CC(F)(F)F)c(=O)nc2O)cc1 1558420050 QIKWEILQYRSDTP-CYBMUJFWSA-N 405.336 1.382 30 10 HDEE NS(=O)(=O)c1cc(Cl)c(F)c(C(=O)N2CCC3(CC2)CC(=O)C=CO3)c1 1558605901 FSCXGYPEBBHCLA-UHFFFAOYSA-N 402.831 1.604 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC[C@H]2CC[C@@H](C3OCCO3)O2)C1 1558962989 SMARVBWIUJOYIC-JJXSEGSLSA-N 409.483 1.562 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 1561088988 SFISXOYIEONOKE-UHFFFAOYSA-N 422.503 1.892 30 10 HDEE C#C[C@](C)(CC)NS(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1561584599 FQISHJFDGNNBHT-OAHLLOKOSA-N 400.298 1.720 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCC[C@H]3O)CC2)cc1B1OC(C)(C)C(C)(C)O1 1584198399 GJFBDWJTAAPUDV-WOJBJXKFSA-N 414.355 1.965 30 10 HDEE CC1(C)CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)[C@@H]2COC[C@H]2O1 1585171820 KKCANRJKEDKKAI-KBRIMQKVSA-N 403.866 1.969 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)c3cccc(C#CCO)c3)CC2)cc1 1585487090 CONJBLMTQBTHCA-UHFFFAOYSA-N 421.497 1.227 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccccc2Br)C1=O 1586862527 JIBYWMQYOMIOIN-JSGCOSHPSA-N 408.252 1.542 30 10 HDEE COc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1C#N 1587251427 QSISIOFRVGTYLQ-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCOCCOC 1587581108 VVVUYWIMLHOCJW-HNNXBMFYSA-N 406.508 1.470 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(Cc2cnc(C)s2)CC1 1587804046 SGRWNIAOCWQSOW-UHFFFAOYSA-N 415.567 1.917 30 10 HDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CC=C)[C@@H]1CCS(=O)(=O)C1 1588058757 BWBOHOYPAJHWMM-CQSZACIVSA-N 406.458 1.960 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCS(=O)(=O)NC(C)C 1589215497 AQFUYHNZYNWVLB-VQIMIIECSA-N 409.556 1.492 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)N2CCOCC2)CC1 1594193570 RQLCWKHFWGUERW-MRXNPFEDSA-N 407.515 1.263 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1594819708 JGFVUDNNYUGCNC-SFHVURJKSA-N 417.485 1.552 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(=O)N(C)C 1595108896 NVQDZDXWEFEMTO-OAHLLOKOSA-N 420.539 1.169 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1c(C)nn(C)c1C 1595556486 VCUVKPUCPULLSM-UHFFFAOYSA-N 408.510 1.553 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1596696257 WMXOWYSMJCGGQD-AOMKIAJQSA-N 424.505 1.727 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(c4ncon4)CCC3)CC2)cc1 1597878530 HKVIDOLLTSJIQW-UHFFFAOYSA-N 415.475 1.538 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CCn2cc([N+](=O)[O-])nc2C)c(=O)c1C#N 1611231804 XFYQQTWFMDUATK-UHFFFAOYSA-N 423.227 1.673 30 10 HDEE CCCNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1614961044 DXRDTGFKHQYBKO-QGZVFWFLSA-N 409.494 1.654 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@H](C#N)C1 1614988996 HRAFIFWWWUCDGD-QGZVFWFLSA-N 414.466 1.121 30 10 HDEE C#CCN(CC1CC1)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 1616404251 YSHOQOWKBHPWDK-KRWDZBQOSA-N 419.547 1.688 30 10 HDEE CN(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccsc1 1617635403 CTORSIMYVBXZCM-USXIJHARSA-N 402.524 1.875 30 10 HDEE CO[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@@H](C)C#N 1618938895 GLVZVNVRXMWFBN-UONOGXRCSA-N 405.528 1.869 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(C)c(I)c2)CC1 1622372572 QICCHGMRFSHGEJ-UHFFFAOYSA-N 405.257 1.748 30 10 HDEE C=CC1(CC(=O)N2CCC(NS(=O)(=O)CC)CC2)CN(C(=O)OC(C)(C)C)C1 1624544146 RBTYXCSGIBWGDP-UHFFFAOYSA-N 415.556 1.730 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@@H](C(=O)C4CC4)C3)C2)C1 1626709602 QSKQFZZIPRLINF-QNOZYLDQSA-N 417.506 1.980 30 10 HDEE COC(=O)CCCOc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 1627583502 DFBACLOBMOODGR-FMQUCBEESA-N 401.419 1.874 30 10 HDEE Cc1cc(C(=O)NCC(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1[N+](=O)[O-] 1630788921 MNVDJLFFOPLBRN-UHFFFAOYSA-N 407.430 1.854 30 10 HDEE C[C@H]1C(=O)N(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C(=O)N1C 1633409376 JDKVZGZEMYOZOA-NSHDSACASA-N 412.406 1.336 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 1636202112 CWIMGKJKTQXFOZ-YQQAZPJKSA-N 422.526 1.539 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(C)cc2Br)CC1 1636480705 VPWQRGJECKBLOK-UHFFFAOYSA-N 406.327 1.044 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ncccc2Br)cc1 1637520444 LNJGJKCLJSGKNU-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE C#CC[C@@H](NC(=O)CCCS(=O)(=O)c1cccc(Br)c1)C(=O)OC 1637697423 ROAKGPBOPWPYCY-CQSZACIVSA-N 416.293 1.684 30 10 HDEE CN(C)C(=O)[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1637965465 CEXWHJBNKCRPFM-ANZKDXPISA-N 404.511 1.710 30 10 HDEE N#Cc1ccc2c(c1)CN(C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)C2 1639105918 UZKACRHFNDINRH-GUDVDZBRSA-N 415.515 1.510 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cs1 1639385536 QSGMCTITIRUSGI-OAHLLOKOSA-N 407.517 1.903 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 1639805080 BZSLCTCHKDHPPG-SJLPKXTDSA-N 400.460 1.268 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CCO)c1ccccc1F 1639883612 KYWLHKXNVMWWBV-KRWDZBQOSA-N 419.478 1.884 30 10 HDEE Cc1ccc(C(=O)NCC2(N3CCOCC3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1639954554 WUZZUUUDXRRXGW-UHFFFAOYSA-N 400.328 1.889 30 10 HDEE CC1(C)[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C[C@H]1N1CCOCC1 1640588112 FMOOZLMJMLGMMD-IAGOWNOFSA-N 409.483 1.352 30 10 HDEE C=CCC1(CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCC1 1640592719 VOGQUPRVASBDQV-HNNXBMFYSA-N 405.520 1.940 30 10 HDEE COc1cc([N+](=O)[O-])cn(CC(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)c1=O 1641325422 ITUQIZACAHOJGD-KRWDZBQOSA-N 411.418 1.174 30 10 HDEE CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1643402808 AVLDPODTPHPYLU-CYBMUJFWSA-N 406.512 1.394 30 10 HDEE CCN(CC)C(=O)c1ccc(NC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1 1644154003 CKZPFRWXBFBDCE-UHFFFAOYSA-N 423.473 1.646 30 10 HDEE CCC[C@@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)S(N)(=O)=O 1644617247 AFJGXKNSSHKHDD-KRWDZBQOSA-N 416.507 1.054 30 10 HDEE C#CCN1CCC(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1644948337 PJFACUWVKHSWMW-GOSISDBHSA-N 408.543 1.256 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)CC1 1646589078 CJWJJMJNVZTDMP-HKUYNNGSSA-N 418.542 1.085 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 1648217573 WGOCAXDWQNLYDP-OAHLLOKOSA-N 414.466 1.818 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1665329849 RNHGADYWWXUAAQ-OALUTQOASA-N 408.520 1.993 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCC(N(CCO)C(=O)OC(C)(C)C)CC1 1670805410 HKGBSCUODPEVBN-UHFFFAOYSA-N 404.533 1.161 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(C(=O)OC)oc2Br)C1 1671459694 VPCWVDDRXFMWJW-JTQLQIEISA-N 405.270 1.205 30 10 HDEE C[C@H](NC(=O)NCCNS(=O)(=O)N(C)C)c1ccc(-c2cccc(C#N)c2)cc1 1671555891 JWNRNGNFBMBEEW-HNNXBMFYSA-N 415.519 1.981 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3c(F)cccc3-n3cccn3)CC2)c1C#N 1682597435 HIFCQKNAWAJHDZ-UHFFFAOYSA-N 422.468 1.957 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CCOc2cccc(OC)c2)CC1)C1CCOCC1 1682886858 AQDNXPHMUZEFMK-NRFANRHFSA-N 401.507 1.830 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1685655553 YMTNWLWSGSHJCN-MSOLQXFVSA-N 422.489 1.924 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1689824849 ZAKYEXWVEQQYCB-MRXNPFEDSA-N 412.494 1.827 30 10 HDEE C#CCCCCn1c(-c2cccn2C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1689884274 PBJYWJXLHYVERW-GOSISDBHSA-N 423.565 1.876 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)Nc1ccccc1 1689966516 UFDHQPLQCFLTNY-HNNXBMFYSA-N 401.492 1.278 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCC(=O)N(C)C 1690003349 LCYASTPOJUCWEY-NRFANRHFSA-N 401.511 1.260 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccccc1C1OCCO1 1690104210 PLUTZOKPEKBVNU-SFHVURJKSA-N 412.490 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC2CC2)CC1 1690146862 ZKGFDYNCWVCVOX-IBGZPJMESA-N 415.538 1.565 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1690206463 RTDITRJUMOVXSM-CWFSZBLJSA-N 418.519 1.673 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1690256398 LDFLNPVRTNIOSM-HNNXBMFYSA-N 417.539 1.987 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1690634751 ROBGCMBLBTXMLQ-OAHLLOKOSA-N 415.885 1.946 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1CCC(=O)N1CCOCC1 1691008563 JOLIKZGHMCGNQM-OAHLLOKOSA-N 402.524 1.775 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1692851881 HEYBCABWESIVAU-GUYCJALGSA-N 406.537 1.815 30 10 HDEE CCN1CCN(CCCn2c(-c3cnccn3)nnc2N2CCC(CC#N)CC2)CC1 1695897868 AUFTUFVLDHWYQA-UHFFFAOYSA-N 423.569 1.893 30 10 HDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N)C(F)(F)F 1697139757 XAUUQEAOUVVLCY-FRRDWIJNSA-N 423.461 1.743 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCN1CCOC1=O 1698150609 ONBSXFMEIRYGOQ-UZLBHIALSA-N 420.514 1.974 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1705495247 MYCAQIMDQZPLPH-YJBOKZPZSA-N 411.462 1.107 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705514101 KMVXMSYAJFXXCB-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(OC)CCOC1 1705540821 OMGZDOVPCXHRHE-FQEVSTJZSA-N 417.897 1.736 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CC(OCC)C1 1705600955 ROCRBRGDBZGWPB-UHFFFAOYSA-N 410.522 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(CC)CC2)CC1 1705643987 WVCKCPATJIHFDH-UHFFFAOYSA-N 412.538 1.670 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1705912859 WJBGGNDIQYVFCU-INIZCTEOSA-N 421.505 1.959 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(N)=O)c2)C1 1705922006 DNIFHUXKCZFADY-QZTJIDSGSA-N 424.505 1.352 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COCC)n2Cc2nnc3n2CCCCC3)C1 1705928738 TZLPBPIISWJQHB-MRXNPFEDSA-N 401.515 1.962 30 10 HDEE Cc1c(CN(C)c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)cnn1C 1707009996 VZVONFLEOJKCQX-GOSISDBHSA-N 404.478 1.774 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCN1CCC(O)CC1)[C@@H]1CCOC1 1711027817 BKPJBFBTVLCEFD-LJQANCHMSA-N 410.522 1.889 30 10 HDEE CN(CCOCC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCS(C)(=O)=O 1711232580 HEZZQGKVIPPIRR-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE CNC(=O)c1cccc(CCn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1711330779 KKOKTHZAGSRSRV-UHFFFAOYSA-N 417.473 1.724 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccccc3)n2CCN2CCCS2(=O)=O)C1 1712875759 HGWWQTPTKMRDPF-GOSISDBHSA-N 404.471 1.423 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCCO3)n2CCCNC(C)=O)c1 1722305466 APUBTUJXYCTXJN-LJQANCHMSA-N 424.505 1.712 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](CC)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1722369687 DQMGOPDFJLSJQO-ROUUACIJSA-N 423.583 1.316 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCCN(CCC)C(=O)C1 1722460363 XQPKIUBSOYGYAT-KRWDZBQOSA-N 405.568 1.987 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C)(C)CC1 1722696020 YEQBGQSPIHGBRJ-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC[C@H](OC)C1 1722701637 YJTGCYGIYMAMST-IBGZPJMESA-N 413.522 1.989 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC[C@H]1C 1722705141 AKONBHHWIBIGIS-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)N2CCCCC2)C1 1722711288 BNDMHNKJWUTZRU-SFHVURJKSA-N 413.526 1.863 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCC(=O)NC(C)C)cs1 1725343846 LHHJEKHBBGXMGS-SFHVURJKSA-N 405.503 1.991 30 10 HDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C1 1730371198 DTLRMUIEKJVFRX-GOSISDBHSA-N 408.466 1.636 30 10 HDEE COCCOC1(Cn2c(CC(C)C)nnc2N2CCO[C@@H](C#N)C2)CCOCC1 1730883390 JNXLMJHOICPWJC-KRWDZBQOSA-N 407.515 1.418 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1 1740638343 GVDJJDXVBMJDIS-GOSISDBHSA-N 405.506 1.592 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccccc2COC)CC1 1740689464 XEPYGQOZUJFCRY-UHFFFAOYSA-N 410.522 1.366 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(C)CC2)CC1 1740697456 FESHMPUCWBIHCV-UHFFFAOYSA-N 413.547 1.904 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1740793948 ZLUABCCHKIRDTO-UHFFFAOYSA-N 410.526 1.988 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1740801029 MQSRPMAKUOFRDG-JKSUJKDBSA-N 410.950 1.716 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1740990680 CWIGATODJMAXTI-KRWDZBQOSA-N 420.539 1.458 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCC(=O)NC1CCCCC1 1741801695 CIRDRZOFGAHHIK-ZBFHGGJFSA-N 401.515 1.807 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCOCC(F)F)CC2)c1C#N 1742669142 JJZOFJSMYSYRMM-UHFFFAOYSA-N 422.484 1.923 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1745792852 ZONMRUNQQHAPMK-GOSISDBHSA-N 401.402 1.821 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 1748804790 LGIARLHYKMROSI-MRXNPFEDSA-N 404.492 1.279 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1Cc1ncn(-c2ccccc2)n1 1748892287 MXWAJJLNBCHVPC-SFHVURJKSA-N 401.474 1.874 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1748925311 HAGSQTYGYLKKCB-ZWKOTPCHSA-N 407.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1748972317 FVSRDUKOCAGYTM-UHFFFAOYSA-N 401.536 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(COC)CCOCC2)CC1 1748991237 UEJXXIFLGJIIEJ-LJQANCHMSA-N 417.554 1.371 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCn2ccnc2C)CC1 1748993550 BRWHMUBPTSHGIG-UHFFFAOYSA-N 404.522 1.614 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCN2CC=CCC2)CC1 1749008518 ANFWYDXGIDQDNT-UHFFFAOYSA-N 419.533 1.568 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1749045371 ZJNRQPIGZLOQMX-CYBMUJFWSA-N 404.565 1.667 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnccn2)CC1 1749364357 QTOUXRFXRDVBJD-INIZCTEOSA-N 410.526 1.948 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1751279038 QBKWRQXSDHVHOG-HNNXBMFYSA-N 412.498 1.455 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCS(=O)(=O)NC(C)C 1760178920 GELWXOAHZPSIAD-HZPDHXFCSA-N 411.572 1.594 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ncn(C)n2)CC1 1760253426 FCLWATBWRMMYRE-MRXNPFEDSA-N 424.484 1.489 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CO)CC1 1760322100 NZPNHKTVSKTEPO-KSZLIROESA-N 424.567 1.370 30 10 HDEE C=CCCOCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760445338 GVEFRLGDVWQASB-INIZCTEOSA-N 418.542 1.312 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1760454090 VMUWRIZRDFOJST-VLGSPTGOSA-N 422.449 1.074 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)O[C@H](CC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760529124 XPEAQWNDLCAONM-FVJLSDCUSA-N 421.542 1.625 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCC2CC2)C1 1760555481 GORSYSCTXIFJSM-MSOLQXFVSA-N 424.567 1.778 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1Cc1ccncc1Cl 1761477369 CPXSOJOCJVOABS-LBPRGKRZSA-N 423.930 1.725 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCS(=O)(=O)C1 1762181768 AAIVYSHFACMUHY-KBPBESRZSA-N 410.544 1.370 30 10 HDEE CC[S@](=O)CCn1c(N2CCc3nc(O)c(C#N)cc3C2)nnc1C(C)(C)C 1766762055 TVRAYQAEMIRNJW-NDEPHWFRSA-N 402.524 1.879 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC2(CCC2)C1 1766867993 HAQFVZFMPPLPHI-UHFFFAOYSA-N 424.505 1.966 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)SC)CCO1 1767707130 GKQBRRPDLZZUBE-CJNGLKHVSA-N 400.508 1.519 30 10 HDEE CO[C@](C)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1767991204 AUWMLQKQACCPRF-XWIAVFTESA-N 411.503 1.437 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](COC)OC 1769264035 CBGUCCFZAOCAFR-PFRQMTDMSA-N 407.515 1.794 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1769559386 DVKKAHBJIGJRRQ-LAUBAEHRSA-N 412.494 1.525 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 1850418507 XHRGTWRWHFGQQH-LJQANCHMSA-N 407.474 1.460 30 10 HDEE CS(=O)(=O)N(CC(=O)NCC#CCN1CCCC1)c1ccc(Cl)cc1Cl 1851473173 JEJGSVHLWJKDQG-UHFFFAOYSA-N 418.346 1.975 30 10 HDEE N#Cc1ccc([C@H](CC(=O)OC[C@H]2CNC(=O)CO2)N2Cc3ccccc3C2=O)cc1 1852606108 CWNJFJPKEHIONC-QUCCMNQESA-N 419.437 1.704 30 10 HDEE COCCOc1cncc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1 1852673509 YVNBWUWFVVTPQI-UHFFFAOYSA-N 411.462 1.352 30 10 HDEE O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1853068933 MVLNILANAOTUMN-UHFFFAOYSA-N 417.365 1.543 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 1853567883 VKLYNKFYJSMQQD-UHFFFAOYSA-N 413.478 1.125 30 10 HDEE Cc1ccc(S(=O)(=O)N=C(NOCCN2CCOCC2)c2cccn2C)c(C)c1 1853569391 KUHLYNAVNJURNI-UHFFFAOYSA-N 420.535 1.631 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCC2 1853676516 NXAHSNSCGPZSTE-OAHLLOKOSA-N 402.520 1.525 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(C3CC3)n(C)n2)C1=O)[C@@H]1CCN(C)C1=O 1854223921 HDTGCHMARYTZCF-ZWKOTPCHSA-N 413.522 1.538 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc3ccccn3n2)C1=O)[C@@H]1CCN(C)C1=O 1854263896 ZZBCWWNPBDEGHG-RBUKOAKNSA-N 409.490 1.574 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)C(=O)C12CCCCC2 1854421930 ZPCAEKYASLCHQZ-UHFFFAOYSA-N 411.430 1.805 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)CCn2nc(-c3cccnc3)ccc2=O)C1=O 1854478403 ZIEWWSFRHFDNMC-LJQANCHMSA-N 407.474 1.497 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(CC(F)(F)F)C3=O)CC2=O)cc1C#N 1854600626 LCLXFUBQBRSDTJ-OAHLLOKOSA-N 408.380 1.314 30 10 HDEE CC1(C)CC[C@H](N2CC[C@@H](N3CCN(C(=O)c4ccc(C#N)cc4)C(=O)C3)C2)C1=O 1854950361 UUMDUCDNVYAIMI-MOPGFXCFSA-N 408.502 1.675 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCN(c4ccnnc4)CC3)C2=O)cc1 1855341610 DOYKMQKTPGNXSI-HXUWFJFHSA-N 404.474 1.231 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCCC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1855371461 ZCYKRUZCRBDNMG-NVXWUHKLSA-N 412.490 1.541 30 10 HDEE C[C@H]1CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)CCS1(=O)=O 1856088170 GUYZDOFBCATCTI-LPHOPBHVSA-N 417.531 1.375 30 10 HDEE CN1CC[C@H](N2CCC([C@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)C1=O 1856316866 SSLUKRSJXVYGDU-PMACEKPBSA-N 408.502 1.419 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCCO4)C(=O)C3)C2)s1 1856347759 QNYCEJZDEWXOIV-CRAIPNDOSA-N 402.520 1.434 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CC(Cn4ccnc4C(C)C)C3)C2=O)CC1=O 1856515254 BJMFGMDGGLHNDZ-MSOLQXFVSA-N 413.522 1.100 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CC[C@H](N(C)Cc3nc4ccccc4n3C)C2=O)CC1=O 1856647535 OCHLEVBWDSKGOX-YJBOKZPZSA-N 409.490 1.167 30 10 HDEE C=C(C)CN1C[C@H](C)C(=O)N(C(=O)CN(CCOC)S(C)(=O)=O)c2ccccc21 1857038014 NXCICXPAUQZVTD-INIZCTEOSA-N 423.535 1.486 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCN(C)CC34CCC4)ccc21 1857165838 KYZBLPMCWXXRRL-UHFFFAOYSA-N 417.531 1.927 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cnn(-c4ccccc4)n3)C1)CC2 1857220429 QYAVMJJSTNQPJH-SJORKVTESA-N 404.474 1.882 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccccc2F)C1)[C@@H]1CCN(C)C1=O 1857281566 MAYRLNVWQYSBSQ-DOTOQJQBSA-N 403.454 1.298 30 10 HDEE C=CCCN(C)[C@H]1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C1=O 1857492568 RSKQNSDKTMAISO-RBUKOAKNSA-N 419.547 1.784 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNC(=O)C1CCN(C(=O)C(F)(F)F)CC1 1858033057 AZOZAMPXMMSPTL-UHFFFAOYSA-N 401.385 1.711 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](C(=O)Nc4ccccc4C#N)C3)ccc21 1858416904 ULPMLGLKSQTCCN-HNNXBMFYSA-N 424.482 1.726 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCCOCC)cn1CCCO 1870671070 UBWVDSCKJQKLNB-UHFFFAOYSA-N 408.495 1.363 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1cnc(I)cn1 1885552027 MQCOVXYUBUJMDZ-UHFFFAOYSA-N 402.192 1.548 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)C1 2086045279 VJGXYSWYWQTTKH-XNGIKWSVSA-N 404.492 1.514 30 10 HDEE C=CCn1ncc(NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)OC)c(Cl)c1=O 2162298845 FDAYKDIHYSCGRM-LLVKDONJSA-N 400.863 1.951 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(Cl)n2)[C@H]2CS(=O)(=O)C[C@H]21 2162863738 VYXVYXDGXSHFLM-QWHCGFSZSA-N 412.899 1.829 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2225387787 DLNJRCRMRDAGGX-KGLIPLIRSA-N 406.485 1.971 30 10 HDEE C#CC(CO)(CO)NC(=O)C(C)(C)NC(=O)OCC1c2ccccc2-c2ccccc21 2242273900 XLYFSLMUWWFMBE-UHFFFAOYSA-N 422.481 1.777 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548277 MYPGNCWMNFJVPJ-HNNXBMFYSA-N 409.336 1.582 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247830316 YGDAOZDTYPLLGH-BETUJISGSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2C[C@H](B3OC(C)(C)C(C)(C)O3)C2)(C(N)=O)C1 2247938300 VHZXZKLYMUBUMH-JOCQHMNTSA-N 423.319 1.450 30 10 HDEE CC1(C)OB(c2cc(N3C[C@H]4C[C@H]3CN4C(=O)C(F)(F)F)ccc2N)OC1(C)C 2248034509 YTQLTZRMFVZWAQ-QWHCGFSZSA-N 411.233 1.920 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCC(=O)NCCC#CBr 2249998062 CTBUDFXRWHXPCG-UHFFFAOYSA-N 407.305 1.797 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCC[C@@H]3N)cc2Cl)OC1(C)C 2267355047 FNAANSUCAXZYCG-WDEREUQCSA-N 406.766 1.859 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H](CO)C3)cc2Cl)OC1(C)C 2267702126 BANSWKAXWKUZPH-JTQLQIEISA-N 407.750 1.704 30 10 HDEE CC1(C)OB(c2cccc(CNS(=O)(=O)C3CC4(C3)OCCO4)c2)OC1(C)C 2277896042 CONJTYWSKBCHTA-UHFFFAOYSA-N 409.313 1.311 30 10 HDEE CC1(C)[C@@H](O)CC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334902 HYOFBXJTDLTUIF-OLZOCXBDSA-N 401.359 1.875 30 10 HDEE CSCC[C@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282347542 ZGTMSUDGSBZBRZ-LBPRGKRZSA-N 403.379 1.481 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)Nn3cnnc3)c(Cl)c2)OC1(C)C 2282496102 VXAWCCOIDNVYPB-UHFFFAOYSA-N 419.099 1.817 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=S1(=O)CCC1 2282496259 XWUFJGCIESQZFW-UHFFFAOYSA-N 401.315 1.555 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NC[C@H]2CCCCS2)n1 2282508670 ZPYLZHLMYZIMQD-GFCCVEGCSA-N 401.363 1.283 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@@H]2CS(C)(=O)=O)OC1(C)C 2282518034 VJIIEOWQXOGXBO-LLVKDONJSA-N 400.331 1.092 30 10 HDEE CC1(C)C[C@H](NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1O 2282828641 RWYNUFPDCIQFSJ-CMPLNLGQSA-N 402.347 1.021 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1csnn1 2282837529 FNLIEAPJRNHYKC-SECBINFHSA-N 416.359 1.474 30 10 HDEE Cc1cc(S(=O)(=O)NCCN(C)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282846024 CCJWZCFBWHHVJJ-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE CN(C)C(=O)CCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282874325 YWXZJONBPZVKHT-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC[C@H](CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284403586 RHVHHRZXNBVMQJ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CC(Cl)=CCn1c(NN=C2C(=O)Nc3ccccc32)nc2c1c(O)nc(=O)n2C 2297321684 XXNPPSFLLIIMTL-UHFFFAOYSA-N 413.825 1.747 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1ccccn1 2329035131 DJPOCZAUEMGWDR-CYBMUJFWSA-N 402.480 1.545 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1nccs1)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2339662614 MAZOXUBNYFOCLF-OLZOCXBDSA-N 401.554 1.733 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CC[C@@H]1NC(=O)OCc1ccccc1 2339666832 DRMVXCYGECVIBK-LQWHRVPQSA-N 422.547 1.611 30 10 HDEE C=CC[C@]1(CO)CCCCN1C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2360589695 AJCGZCZXNGABGM-KBXCAEBGSA-N 404.529 1.244 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365210257 HXZBMOFEZBPPLG-VCBZYWHSSA-N 402.557 1.537 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 2367788020 NNMNEGYJCRIWFD-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE CC(C)(C)OC(=O)NC[C@@](C#CC1(S(C)(=O)=O)CC1)(CF)OCCC(=O)O 2367795350 LWOLQDWCIYBFIX-MRXNPFEDSA-N 407.460 1.291 30 10 HDEE CN(C[C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C#N)c(Br)c1 433871889 YGLDWVIIUJDPCV-JTQLQIEISA-N 407.311 1.376 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 443862755 VOFJBCZTFHQWCZ-ARYPMIFLSA-N 413.430 1.660 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCCCS2(=O)=O)CC1 446630408 FQBXIFURIBWXSR-JCYILVPMSA-N 406.508 1.910 30 10 HDEE N#Cc1ccccc1COc1ccc(C(=O)N2CCC[C@@]3(C2)NC(=O)NC3=O)cc1 447749412 ZTSTVOVDPZTGJG-QFIPXVFZSA-N 404.426 1.951 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CC(=O)N(C)[C@@H]3c3cccnc3)CC2)c1C#N 461188123 DHHZMFDYAGYJAS-CRAIPNDOSA-N 410.503 1.586 30 10 HDEE N#CC1(NC(=O)CNC(=O)Cc2ccc(O)cc2)CCN(Cc2ccccc2)CC1 462767330 LELLBJLPFNLCNB-UHFFFAOYSA-N 406.486 1.725 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 463007169 GNTMNXLURLDXQL-OAQYLSRUSA-N 400.479 1.819 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)NC2CCCCC2)CC1 463683358 ZIDJYYZBQXZHIC-UHFFFAOYSA-N 406.508 1.915 30 10 HDEE COC[C@](C)(C#N)NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12 464179390 FWVRFDDMJCYEAY-BSAXUESFSA-N 419.481 1.511 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)CC2)CC1 472087854 JYMNVYWGRITAAX-OAQYLSRUSA-N 407.518 1.643 30 10 HDEE CSc1nc(O)c(C(=O)N2CSC[C@@H]2C(=O)N2CCSCC2)cc1C#N 476796814 XWTNEUJCBVTJGN-GFCCVEGCSA-N 410.546 1.471 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[C@@H](C)C#N)cc2)cc1 486010057 YRSRJMRUICWPMF-LBPRGKRZSA-N 407.473 1.533 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccccc2S(=O)(=O)NC(C)(C)C)cc1C#N 489096936 DRUWZPWFWZJTSK-UHFFFAOYSA-N 422.532 1.817 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cscn2)c1=O 497562138 VAVVHBJOYQGFDA-UHFFFAOYSA-N 408.508 1.446 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](O)COc1ccc2c(c1)OCO2 505948492 WGCCLWBMHNJFIT-XCLFUZPHSA-N 406.435 1.533 30 10 HDEE C=CCn1c(COc2ccccc2)nnc1S(=O)(=O)CC(=O)N(C)CC1CC1 507452087 SSXQGJYTLJYJCN-UHFFFAOYSA-N 404.492 1.685 30 10 HDEE COc1ccc(CN2C(=O)N[C@@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)cc1C#N 533468384 NMQPNCKDUZFMIO-FQEVSTJZSA-N 413.455 1.938 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccnc1C#N 536555510 FFKCYJWKNWXAFO-UHFFFAOYSA-N 416.507 1.634 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(Cc2nc(C)no2)CC1 541500660 UYNHMSUHFVLPOT-UHFFFAOYSA-N 400.439 1.625 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cn(C)c4ccccc34)n2CC)CC1 558880160 TYCHIEMXZMRTDV-UHFFFAOYSA-N 407.522 1.881 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)N3CCC[C@@H](C(=O)O)C3)CC2)ccc1C#N 559595489 XPFIZKOCMTZDDZ-MRXNPFEDSA-N 420.491 1.090 30 10 HDEE CC(C)[C@H](C)NC(=O)C1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 580012233 PZPGNUROYCLSRD-HNNXBMFYSA-N 420.535 1.236 30 10 HDEE COc1ccc(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccncc3)c2=O)cn1 588893197 YYHQTJXZPDXNKL-UHFFFAOYSA-N 418.478 1.570 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 610478584 FCCLOGHCZMXBSY-UHFFFAOYSA-N 412.487 1.279 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)CSc3nc(C)c(C)c(C)c3C#N)CCN2C1=O 610636579 IAUMSVSJMFACMD-OAHLLOKOSA-N 401.492 1.466 30 10 HDEE C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C1 612272872 YAPNLTUQTYNKAD-OXQOHEQNSA-N 419.503 1.730 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670221417 RLXQDFCDUJSPQA-WIYYLYMNSA-N 423.565 1.829 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCC1=NO 704002093 QSDGWDWAFHCCDA-CYBMUJFWSA-N 407.492 1.811 30 10 HDEE CCc1cccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CCOC)c1 730139946 STWSWOUMOBRLTJ-QGZVFWFLSA-N 406.552 1.895 30 10 HDEE C#CCN(CC(=O)Nc1c(C#N)c(C)c(C)n1CCCOC)[C@H]1CCS(=O)(=O)C1 731213753 QQJIASKCRDBQCH-KRWDZBQOSA-N 420.535 1.074 30 10 HDEE CC(=O)[C@H]1CC(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)=NN1c1ccccc1 734292967 LUJVTWYDWDERDK-GOSISDBHSA-N 410.455 1.896 30 10 HDEE COC(=O)[C@H](OC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F)c1ccc(C#N)cc1 740203189 FZFYOYSGCNMSIS-YVEFUNNKSA-N 420.418 1.822 30 10 HDEE CCOC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1 742108319 BEXCBNORSZOQBD-MRXNPFEDSA-N 415.471 1.188 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 749313980 XVSPEIITMWYTOT-CQSZACIVSA-N 409.464 1.607 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)N(CCC#N)CCN3CCOCC3)c(=O)[nH]c21 749380398 VYMNOSKSLZQIIR-SNAWJCMRSA-N 412.494 1.393 30 10 HDEE NC(=O)C[C@@H]1CCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 751395671 KYJSBHKZUYLPHD-HNNXBMFYSA-N 420.535 1.542 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CCOC2)C1=O 751669634 VPOIJUXNYUTIGF-HOTGVXAUSA-N 408.499 1.614 30 10 HDEE C=CCOC(=O)C1=S=C(NC(=O)c2cccc3ncnn23)C(C(=O)OCC)=C1C 753644938 HHHIUSDQLBZUBF-UHFFFAOYSA-N 414.443 1.117 30 10 HDEE Cc1ccnc(Oc2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2)n1 754189182 DHFQJWPTPWZFDZ-KRWDZBQOSA-N 406.446 1.715 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)[C@@H](C#N)C1 754384308 KPSGOAQWCWXWTI-ZDUSSCGKSA-N 417.857 1.901 30 10 HDEE COc1cc(Br)cc(S(=O)(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 760562946 YIGLXGZLBSGCHQ-ZDUSSCGKSA-N 400.298 1.819 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@]2(CCOC2)C1 769625580 UEZAXJANYCOIKU-OXJNMPFZSA-N 421.519 1.158 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)[C@@H](C#N)C(=O)c2nccn2C)C1 770868432 JPEWTGUUZLLVBR-ZIAGYGMSSA-N 419.463 1.017 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[C@H]1CCS(=O)(=O)C1 774162458 LBJMBDUCGDHKMI-SFHVURJKSA-N 404.536 1.650 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1)[C@H]1CCS(=O)(=O)C1 774185428 DLXRAFDEEBYYBK-IRXDYDNUSA-N 409.577 1.792 30 10 HDEE CCCN1C(=O)CCc2cc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)ccc21 774239819 CVWAOOCYXYTOCA-GOSISDBHSA-N 409.490 1.513 30 10 HDEE C#CCN(C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1)[C@@H]1CCS(=O)(=O)C1 776068795 IVQSQYDVYPFBDL-QGZVFWFLSA-N 406.504 1.974 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3c(C)cc(OC)nc3C)c2=O)cn1 781657465 BAGZKRVRHISXQE-UHFFFAOYSA-N 419.466 1.350 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2nnc(-c3ccccc3F)s2)C1=O 783357089 QSGPGTHQVKAXML-JTQLQIEISA-N 418.406 1.925 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 789324334 JHPFZVHFBDWQEM-UHFFFAOYSA-N 409.490 1.729 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)n1 790114669 AZDQDDURHLMNEF-UHFFFAOYSA-N 410.522 1.958 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@H](NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790652221 XRFMECUGDYBQSY-KSSFIOAISA-N 401.529 1.482 30 10 HDEE N#Cc1ccc(COC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1F 791289019 GEFWRCZAXQBKKN-UHFFFAOYSA-N 420.418 1.880 30 10 HDEE CC(C)(C)OC(=O)N1CCC(S(=O)(=O)NC(=O)COc2ccc(C#N)cc2)CC1 792093942 ZZHDDQPTKXJLME-UHFFFAOYSA-N 423.491 1.783 30 10 HDEE C=CCn1c(-c2cccnc2)nn(CN2CCC(CNS(C)(=O)=O)CC2)c1=S 795678661 OMOZSZNPYXYLAQ-UHFFFAOYSA-N 422.580 1.881 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(CC)[C@H]2c2ccc(Cl)c(F)c2)CC1 801959931 MZSIGAWKOAMRRB-CTNGQTDRSA-N 406.933 1.981 30 10 HDEE CCOC(=O)c1cnn(C2CCN(c3cccc(S(N)(=O)=O)c3C#N)CC2)c1C 804770711 OLCIMQYUWWLKFY-UHFFFAOYSA-N 417.491 1.729 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)CC1 807514309 OAJMKRCUOXEFPM-UHFFFAOYSA-N 419.913 1.444 30 10 HDEE C#CCCS(=O)(=O)N[C@H]1CCN([C@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 808308869 DOAXAQIRFABVQL-IRXDYDNUSA-N 406.504 1.613 30 10 HDEE Cn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NC[C@H]2CCCO2)c(C(F)F)n1 812219271 TZGDYATXSRCPOU-GFCCVEGCSA-N 422.465 1.978 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 816674058 PBSTUOKDYHSNCK-ZFWWWQNUSA-N 415.309 1.103 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)[C@@H]1CCS(=O)(=O)C1 918754994 QRHPKTMATKMVRW-FUHWJXTLSA-N 422.934 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 1141398669 IDGSANAJFLHWDQ-RDJZCZTQSA-N 419.503 1.696 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2ccc(C#N)cc2)C1=O 1147462524 ITASYYKBUDBCQV-KRWDZBQOSA-N 400.479 1.938 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1148090859 IFYJWDZEDJGDQP-UHFFFAOYSA-N 421.397 1.446 30 10 HDEE C#CCN(C(=O)CCc1c(C)nn(-c2ccc(S(N)(=O)=O)cc2)c1C)C(C)C 1156365391 UJKJHJAFVYWNRJ-UHFFFAOYSA-N 402.520 1.939 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCCN2C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1157929171 XLBWMDAYTADPAG-SJLPKXTDSA-N 424.480 1.678 30 10 HDEE COc1cc(OC)c(C[C@H](C)NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c(OC)c1 1158413763 ZFFQVBUQGXDYAT-LBVBEYCISA-N 417.462 1.676 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)cc1 1167808592 SONHRVSFGMXHNI-CQSZACIVSA-N 409.508 1.583 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cc1 1171925479 FSNIIGZTCBKDDK-BGYRXZFFSA-N 423.494 1.449 30 10 HDEE CN(Cc1nnc2n1CCNC2=O)C(=O)c1ccccc1Oc1ccccc1C#N 1177893337 FDGKUMDDPWRTRY-UHFFFAOYSA-N 402.414 1.958 30 10 HDEE C#CCN1CCC(NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1178208875 WWSOKFNRZVBFFK-UHFFFAOYSA-N 403.426 1.198 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC(Cc3noc(C)n3)CC2)c1 1178491549 YMLZRTIZBJZULK-UHFFFAOYSA-N 402.476 1.384 30 10 HDEE CCOC(=O)c1c(NC(=O)NCC[C@@]2(O)CCCOC2)c(C#N)cn1CCOC 1203101448 CCWBTSBKYUFHPE-IBGZPJMESA-N 408.455 1.236 30 10 HDEE C=CCn1ncc2ccc(NC(=O)N3CCN([C@@]4(C(=O)OC)CCOC4)CC3)cc21 1209774556 ORYXPNHSVFJGLA-NRFANRHFSA-N 413.478 1.704 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1226112026 LWRVGAXQSLJZDK-RBUKOAKNSA-N 424.505 1.643 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1253780151 WIUVQJGUFHBNMP-SJORKVTESA-N 421.538 1.779 30 10 HDEE Cc1ccn2cnnc2c1NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1274314439 RCNKGCXVCSSARX-OAHLLOKOSA-N 403.402 1.753 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N[C@@H](C#N)c1ccccc1Br 1280361730 AKEDITUBZVMVAY-LBPRGKRZSA-N 409.265 1.946 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1286271260 RCGONEPQPKXYNS-QGZVFWFLSA-N 418.586 1.890 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccn2)n1CCS(=O)(=O)N1CCSCC1 1286289186 XIZRSRVDCIDDBB-HNNXBMFYSA-N 420.564 1.177 30 10 HDEE C#CCN(C)c1nnc(-c2cccnc2)n1CCNS(=O)(=O)c1ccc(C)s1 1286370194 NYVPZDPVEAQCJF-UHFFFAOYSA-N 416.532 1.758 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C1CC1 1286374149 LMDLNDZFABIMOW-UHFFFAOYSA-N 408.510 1.048 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1CC[C@@H](C(F)F)N1CCOCC1 1286433729 ZORNJKCSBXMXOS-ZWKOTPCHSA-N 421.492 1.949 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1 1286787878 KZEOWYXGJUXRFG-CYBMUJFWSA-N 417.432 1.716 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2csc(COC)n2)C1 1286807745 GHULNABKUNYRHP-GJZGRUSLSA-N 418.523 1.662 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)C1 1286808618 MFEIPNLOOLTHHV-IXDOHACOSA-N 405.499 1.206 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C 1286832689 XPLWNHVVMJWURE-HUUCEWRRSA-N 415.585 1.519 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CCc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1288529128 FSOPFYVTPGFHHX-INIZCTEOSA-N 406.494 1.955 30 10 HDEE Cc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)s1 1290697481 AYNQNCKHEXYUKR-GUYCJALGSA-N 421.552 1.519 30 10 HDEE CN(C)C(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1297975433 YINOCGUFAWVKTA-UHFFFAOYSA-N 413.482 1.614 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)C[C@H]3CS(=O)(=O)c4ccccc4O3)C2)nc1 1298665897 HXTJVSKYGFKIMJ-CVEARBPZSA-N 413.455 1.558 30 10 HDEE CO[C@@]1(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@@H](C#N)C2)CCOC1 1299813851 BTJXNYMHIVRQOL-MAUKXSAKSA-N 404.496 1.168 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@](O)(c1ccccc1)C(F)(F)F 1300471803 PNIFJNGTRAJSOV-IBGZPJMESA-N 421.423 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[S@@](=O)C(C)(C)C 1300512824 NSYHFGZHQCBIFS-KCWXNJEJSA-N 420.579 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300521357 OWQJILFCPSYBAK-INIZCTEOSA-N 401.492 1.201 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1OCC[C@H]1C 1300675318 PEMRKYJUTJEAHK-HZPDHXFCSA-N 417.535 1.781 30 10 HDEE COC1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)CC1 1300722214 WEZRTCDUEHRWBV-QVOMUQBLSA-N 412.560 1.832 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CCNC(=O)[C@@H](C)CCC 1300813440 KIRVQXLBKPOHGS-HTAPYJJXSA-N 414.554 1.945 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1301313176 YAKUSYXEKLYKHC-UHFFFAOYSA-N 407.540 1.494 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1301358832 DYZOEEYRLFTARR-QZTJIDSGSA-N 424.505 1.583 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCOCCS(C)(=O)=O)C1 1301539124 NVYDYYGYBVGCSX-HNNXBMFYSA-N 400.545 1.418 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1301967071 AIGRAFBHNASWSU-PVAVHDDUSA-N 415.519 1.780 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCS(=O)(=O)C1 1301967210 BDTVPLSIWZGPEC-BZUAXINKSA-N 413.544 1.565 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@]1(C)COCCO1 1303066851 RVCIXLUBJVUCQV-OAQYLSRUSA-N 418.542 1.972 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1303111615 LIWNNDSOZXKZPF-IIBYNOLFSA-N 401.463 1.776 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1303546584 PDFWWZCMGWSJTJ-OAHLLOKOSA-N 402.451 1.639 30 10 HDEE CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304271649 OULUVOVDZGJSGF-OGHNNQOOSA-N 417.553 1.030 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C[C@@H](C)O1 1305205407 HPHUEQWYVHWCKL-WHSLLNHNSA-N 413.478 1.494 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c(F)c1 1315496128 BJQMYBHSSNAJBI-DZGCQCFKSA-N 421.498 1.972 30 10 HDEE COc1ccccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)NC(C)(C)C 1315608263 FTIJJXUYRWLWSB-HNNXBMFYSA-N 412.494 1.987 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)C1 1323727609 BCOFGENBHHSRLU-HNNXBMFYSA-N 406.501 1.053 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1C/C=C/CC)[C@@H]1CCS(=O)(=O)C1 1358955437 LVZJRDHUHIFVLD-SQRWCISFSA-N 405.524 1.107 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCc2nccn2C1 1358969966 BBLYWUAMTNZOOY-AUSIDOKSSA-N 422.533 1.851 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1 1359008996 FVNPPFXVTYCBFG-OXQOHEQNSA-N 402.520 1.547 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CC(=O)NCC2CC2)CC1 1359041228 QJHWWDLSXCUDGJ-OAHLLOKOSA-N 400.527 1.284 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(OC[C@@H]2CCOC2)CC1 1359301812 LSMIEQCLQZNVOI-QGZVFWFLSA-N 405.543 1.801 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@]2(N(C)C)CCSC2)C1 1359318921 OYLIJQDPNCLBKT-OXJNMPFZSA-N 415.567 1.954 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(C(=O)[C@@H](C)Oc2cccc(C)c2)CC1 1360174911 SSBLMUCQWAZIRN-YLJYHZDGSA-N 401.507 1.904 30 10 HDEE Cc1c(C#N)c(NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)nn1C 1437100890 YKCTWAOKOZMYOM-VIFPVBQESA-N 416.235 1.986 30 10 HDEE COC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1441886489 RUQHDJUGYKIGPS-CHWWFWEZSA-N 406.483 1.684 30 10 HDEE C#CCN(CC(=O)NC[C@H](Cc1ccccc1Cl)C(N)=O)C(=O)OC(C)(C)C 1444219274 DGIVAPRKSUYTQA-HNNXBMFYSA-N 407.898 1.971 30 10 HDEE C[C@H](Cc1cnn(C)c1)NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1449663013 RPQWLKYMDQPYKF-OAHLLOKOSA-N 417.535 1.766 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)C3=NN(c4ccccc4)[C@@H](C(N)=O)C3)C2)nc1 1456059474 HORXQVUQSNRVOA-QFBILLFUSA-N 417.473 1.476 30 10 HDEE C[C@H]1[C@@H](C(N)=O)CC[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1460309788 TZRYFBKOCFOSTK-LTIDMASMSA-N 403.552 1.431 30 10 HDEE C=CCN(C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1)[C@H](C)COC 1465546617 WDKOKNFLNOCXME-GOSISDBHSA-N 417.554 1.952 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2ccc(C(N)=O)o2)C1 1465636969 QMLVNMOFSWYTBF-UHFFFAOYSA-N 403.236 1.765 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 1466064280 JJAUUARJMIRELR-HOTGVXAUSA-N 412.494 1.692 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)OC1(C)C 1471647829 JPEXNJDZPZNLAW-HOTGVXAUSA-N 402.304 1.501 30 10 HDEE N#CC[C@@H](NC(=O)c1cc(S(N)(=O)=O)ccc1Br)C(F)(F)F 1471959700 GJVPIWBQYBSGNA-SECBINFHSA-N 400.176 1.671 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)C1 1475132308 OPWWOYZAQYEGQH-INIZCTEOSA-N 402.538 1.482 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)c(Br)cc2F)CC1 1475509864 BXTSZXRAXFJDIN-UHFFFAOYSA-N 420.256 1.524 30 10 HDEE C=C(C)CCC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1495116263 PMYCWZNHEUCYNV-UQZKUAJDSA-N 403.523 1.237 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1498535636 NJIOYHFUXNDVBQ-CABCVRRESA-N 415.498 1.254 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1504893101 OYNBOPKKSLEMHQ-UHFFFAOYSA-N 401.430 1.998 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCNS(=O)(=O)CC 1507520465 CWRBHYFRISGCLR-AWEZNQCLSA-N 420.495 1.641 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2CC(C)(C)O)c1 1507551874 IKXFOORPXDHKCP-UHFFFAOYSA-N 424.505 1.228 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 1507592392 TXSZCFQKPPEGCV-INIZCTEOSA-N 423.477 1.877 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CC1(O)CC(OCC)C1)[C@@H]1CCS(=O)(=O)C1 1507623797 XGNKNBINQFKQCF-RIGHFQGKSA-N 424.567 1.348 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1507627595 KMHJPRZQQLSBCT-HNNXBMFYSA-N 423.926 1.657 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1ccsc1)N(C)C 1507639218 WNGNLKFAQHHLFS-SFHVURJKSA-N 410.547 1.951 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1507645898 HMYIJAQBIDDDIX-UHFFFAOYSA-N 416.489 1.031 30 10 HDEE Cc1nn(C)cc1C1=NO[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1515672971 ATNAFLNAJFKGTE-CZUORRHYSA-N 402.455 1.193 30 10 HDEE CCS(=O)(=O)NCCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516846671 KYOARUZMGQBMGU-MSOLQXFVSA-N 414.535 1.838 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1OC 1526649812 YARYKQUUCINUNG-ZEZYUPADSA-N 407.488 1.689 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)nn1 1529544488 UZLWSGGLPUDOLD-UHFFFAOYSA-N 407.471 1.708 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1538971614 HQQJCNRYHGLMIB-GJZGRUSLSA-N 405.524 1.541 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCn2ccnc21 1539232482 FLKFWUJUGZXDGJ-KRWDZBQOSA-N 414.473 1.772 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1539333925 PTMNFDNZXJSGCA-HSZRJFAPSA-N 419.485 1.997 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1539368963 FVMFPBDINFJTJC-JKSUJKDBSA-N 405.524 1.536 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1cn2ccccc2n1 1539396845 RVWNBIQBQXIJKV-UHFFFAOYSA-N 409.494 1.393 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@@H]2OCCC2(C)C)CC1 1539430789 OEOMHSIRJDEKDO-MSOLQXFVSA-N 405.543 1.572 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](OC)C(C)(C)C1 1539498311 RWSYDACJBMDASD-ZIAGYGMSSA-N 415.585 1.116 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)F)CC1 1539626558 FIWQWYHZYRNQIS-DAYGRLMNSA-N 424.496 1.598 30 10 HDEE C=C[C@@H](O)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1540635996 LXFDJOGUYBIMOT-KWWJGWKXSA-N 406.460 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCC[C@@H](C(=O)NC)C1 1540899242 IIFREKOIAZISQX-OAHLLOKOSA-N 421.523 1.410 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCOCC2)nc1 1541801688 AXCKIINJAVMSRG-MRXNPFEDSA-N 421.509 1.697 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCC3(CC3)C2)n1Cc1ccc(C#N)o1 1541938806 MFBZDECYKVARHS-CYBMUJFWSA-N 404.496 1.782 30 10 HDEE Cc1noc(C)c1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1543412384 BUFXVTKAPPSDBI-MRXNPFEDSA-N 421.461 1.694 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)C(=O)OC 1544352309 RETUKLIHGQNRJY-WMLDXEAASA-N 400.431 1.699 30 10 HDEE C[C@@H]1CN(CCCn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCCO1 1545097301 ZLTUTARVKIEMAA-QRVBRYPASA-N 418.542 1.402 30 10 HDEE CCCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1547074675 QKZOBHHDUBKVKR-YJBOKZPZSA-N 412.560 1.835 30 10 HDEE C=CC(C)(C)CNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1556592915 IVRFLTXLKAZAOY-RBSFLKMASA-N 400.541 1.985 30 10 HDEE N#CCCN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1557980671 IXAOWYXADSSYHB-MRXNPFEDSA-N 403.870 1.603 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1558110577 KVBDAITWGPKYIO-CYBMUJFWSA-N 402.900 1.418 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cnnn2C2CCN(C(=O)OC(C)(C)C)CC2)C1 1558328600 BSTJDOUTDRUBJE-INIZCTEOSA-N 416.526 1.678 30 10 HDEE C#CCC1(NCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)CCOCC1 1560154679 QBBOHVMDVOIOTH-UHFFFAOYSA-N 413.927 1.691 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)N2CCC(N3CC[C@H](O)C3)CC2)CC1 1564601865 TVYVHDKMVVDFJN-SYYJFZTOSA-N 413.522 1.884 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)c1c[nH]c2cccc(C#N)c12)C1CCCC1 1570242615 OTXJSXNJURIJFP-QGZVFWFLSA-N 403.508 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)[C@H]3CCCOC3)C2)C1 1570326153 AFBALPPKDURZMU-AOSSAHENSA-N 407.511 1.677 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3nc(CC)cs3)CC2)C1=O 1583156061 LLVUNFMENNQPDD-UHFFFAOYSA-N 404.492 1.463 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cn(C2CCC2)nn1 1583240467 PAJNIYJQDGMLIX-UHFFFAOYSA-N 402.480 1.138 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@](C(=O)NC)(C(F)(F)F)C2)c1 1583482010 ZIAMYUMSJKJBEC-INIZCTEOSA-N 419.425 1.292 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)CC2=O)cc1Cl 1585375145 MQVHVIQYEQBWJN-CKNLXJGOSA-N 400.866 1.679 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Oc3cccc(C(=O)N4CCOCC4)c3)CC2=O)cc1 1586996714 OACSMLISPVWOSN-GOSISDBHSA-N 419.437 1.989 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 1587266978 KVFZUOQVYFKLLG-CYBMUJFWSA-N 403.386 1.276 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCSCC1 1587979227 LFZIGZLWHXWRAP-UHFFFAOYSA-N 409.519 1.712 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1588045395 JZZUMLFVRSSBFU-OAHLLOKOSA-N 424.486 1.423 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588053661 GWTHPRNRRYYJEB-CLWJZODNSA-N 424.567 1.206 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)COCCO1 1588604939 SQYAGIDZLHPJJC-IBGZPJMESA-N 405.886 1.885 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2OCCC2(C)C)CC1 1588733646 XGGWFESXRMKHNH-QGZVFWFLSA-N 423.521 1.496 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2csc(C)c2)CC1 1588812769 UEPVMYLVRVPXHH-QGZVFWFLSA-N 419.576 1.354 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCC2(C1)OCCO2 1595219466 VAUGGVNLBDVWLP-SJORKVTESA-N 422.551 1.902 30 10 HDEE C=CCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOC(C)(C)C1 1595386750 COZQNOQMUTXYLK-UHFFFAOYSA-N 402.499 1.739 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccnn2)CC1 1595877878 CKDNUYUHZBYUFT-HNNXBMFYSA-N 414.539 1.265 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)CC1 1596483617 CNGRUMPDJABHOZ-OYHNWAKOSA-N 424.505 1.462 30 10 HDEE Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)Cn1cc(C#N)c(O)nc1=O 1598034028 AYQAXQHJDZYXDW-CYBMUJFWSA-N 409.446 1.640 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CCn3ccnc3C)CC2)c1C#N 1612469629 CSGJJSBHUPGOSX-UHFFFAOYSA-N 422.541 1.847 30 10 HDEE CCc1nnc(N(C)Cc2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1613920687 UZTJNKCERZDLJI-FMQUCBEESA-N 405.462 1.875 30 10 HDEE CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)NCCN/C(O)=C2\N=CC=CC2=O)o1 1616348126 VAMJEPZONJBJNI-PGUUPPRWSA-N 401.419 1.891 30 10 HDEE CN(CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1618225374 DMZBSQSTYQRELI-MOPGFXCFSA-N 423.521 1.875 30 10 HDEE COC[C@@H](F)Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1619618304 FWNYMYRNPGMCRO-HNNXBMFYSA-N 412.429 1.198 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1-c1ccccc1Cl 1626656422 YHILCFHGSSIBGF-UGSOOPFHSA-N 404.879 1.845 30 10 HDEE Cc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncc1C#N 1626716476 AAWHKZXIRYGXKR-UHFFFAOYSA-N 410.459 1.672 30 10 HDEE CCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 1627400539 GSRNZVVRLKCQSS-HNNXBMFYSA-N 419.482 1.459 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1628717824 HQGOKPIWRAZGKH-UHFFFAOYSA-N 408.524 1.019 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCS(=O)(=O)C(F)(F)F)CC2)c(F)c1 1629112462 COKUTGPZKSKZMG-UHFFFAOYSA-N 407.389 1.965 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(N)c1F 1629485028 IARUFZKAVRJFNC-UHFFFAOYSA-N 418.450 1.435 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC)[C@@H](O)C(F)(F)F)s1 1631958773 ZUEQQPXOXSIKJW-ZWNOBZJWSA-N 400.444 1.573 30 10 HDEE COCCN(CC#N)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1637302155 QKMQSYZYRSJMSW-UHFFFAOYSA-N 413.805 1.636 30 10 HDEE Cc1nn(C)c(C)c1[C@H](O)CNC(=O)COc1cccc(Br)c1C#N 1637466599 IEMUQPFYOKLMEY-CQSZACIVSA-N 407.268 1.900 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C1 1637513299 MMTZLSBEVSNHFP-TZMCWYRMSA-N 417.466 1.287 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(CN2CCNC2=O)cc1 1637713772 FDWCYIFZEAGVKU-FQEVSTJZSA-N 407.474 1.958 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)NCc1cncc(C#N)c1 1638835488 NWMGBUOGRGHICM-KAOXEZKKSA-N 406.364 1.555 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1639031979 FIMXVKPJAAIHMS-RLCCDNCMSA-N 423.466 1.861 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCNC(=O)OCc3ccccc3)CC2)nc1 1639072268 BCOZOYSCTRIQJU-UHFFFAOYSA-N 408.462 1.711 30 10 HDEE N#C[C@]12CN(C(=O)c3cc4cc(Br)ccc4[nH]3)C[C@H]1CS(=O)(=O)C2 1639817393 STRWPQSCGDZGIH-MEDUHNTESA-N 408.277 1.941 30 10 HDEE COc1ccc([C@]2(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)C[C@H](O)C2)cc1 1639973981 RSONBKAESDAMKH-ZILOHOTNSA-N 419.481 1.877 30 10 HDEE N#Cc1ccc(C2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)CC2)nc1 1640991601 ABVIADXXOLTUSM-UHFFFAOYSA-N 419.397 1.864 30 10 HDEE Cc1ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc1B1OC(C)(C)C(C)(C)O1 1641151307 OSWQSPUTZMKQDD-UHFFFAOYSA-N 417.359 1.386 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@](C)(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1 1643516630 OITSNYBWLRBSOI-OAQYLSRUSA-N 402.491 1.518 30 10 HDEE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)c2C)cc1F 1644087200 HBBWSJMTMBEADC-UHFFFAOYSA-N 424.432 1.612 30 10 HDEE CNC(=O)NC[C@@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CCO1 1647790535 OFDJAJFNKOANOE-GOSISDBHSA-N 424.505 1.534 30 10 HDEE N#Cc1cc(N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)c([N+](=O)[O-])s1 1650641295 IFWJOODMNVFXOF-UHFFFAOYSA-N 403.445 1.799 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2ccccc2cc1C(=O)OC 1653726320 UYIDVEKJOGBQBV-MRXNPFEDSA-N 423.512 1.990 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)c1C#N 1654181534 DEHQFLRDXHTVFC-UHFFFAOYSA-N 400.393 1.853 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc(Cl)nc1C(=O)OC)C(=O)OCC 1656400647 UOYOOCHSPMKIDD-SECBINFHSA-N 411.263 1.874 30 10 HDEE CCN(C(=O)COc1cc(C#N)ccc1Br)[C@H]1CCS(=O)(=O)C1 1656797760 GIXSPNYTTXMVNY-LBPRGKRZSA-N 401.282 1.735 30 10 HDEE C=C(C)COCCNC(=O)N1CCC(n2nncc2I)CC1 1680167747 SJIITKJBFQHQQS-UHFFFAOYSA-N 419.267 1.822 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1 1680971263 YNGUKJIKXVOOMH-UHFFFAOYSA-N 407.536 1.681 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1ccc(F)c(S(N)(=O)=O)c1 1683007733 QSBWDNHFRYHIRU-MRXNPFEDSA-N 406.439 1.220 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)nn1 1683483395 YJGJIGNMJPLFGB-UHFFFAOYSA-N 408.466 1.140 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCCS(=O)(=O)CC(F)(F)F)CC1 1683846876 MBCIWSZFDJCYBO-UHFFFAOYSA-N 418.441 1.803 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)CCc2ccc(OC)cc2)CC1 1686634410 SJPKTXQBXZRUNL-UHFFFAOYSA-N 400.523 1.437 30 10 HDEE CCC(CC)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C(=O)OC(C)(C)C 1686853084 YAVCHXARMKBAPM-LIRRHRJNSA-N 413.540 1.714 30 10 HDEE C=CCN(C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1)[C@H](C)COC 1687536234 WNYYPLVLXXQGDT-CQSZACIVSA-N 408.503 1.802 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1689885690 RFCJBNGJWYOVPR-LJQANCHMSA-N 400.508 1.554 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(OCC2CC2)CC1 1689913185 JIKSDRPYWDZQOM-HNNXBMFYSA-N 409.556 1.697 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccccc1CN1CCC(O)CC1 1689943560 VHZVCXOIIIHHJL-UHFFFAOYSA-N 424.549 1.491 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(F)(F)F)n1 1689966644 YAYJEWVWWQEXOG-LBPRGKRZSA-N 413.425 1.712 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCCC(C)C)[C@@H]1CCS(=O)(=O)C1 1689998261 HGUSQNHVZOYYLF-QZTJIDSGSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1690052647 NPOUOISYXGKCIF-OFNKIYASSA-N 422.533 1.941 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNC(=O)C(C)C 1690243054 GTFNSEYGCLHUFH-SJLPKXTDSA-N 415.542 1.868 30 10 HDEE C=C(C)COCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@H](C(N)=O)C1 1690302398 DDJVFTCUNVSYEQ-HNNXBMFYSA-N 400.439 1.758 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1690506467 ORUVNFNOWKTVMS-OXJNMPFZSA-N 402.499 1.656 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(Cl)n1C 1690507004 AHHVMDPFGBZJEI-CYBMUJFWSA-N 407.906 1.845 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 1690734098 VMBLJARJRBHLER-QGZVFWFLSA-N 422.599 1.494 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705484171 KENPZKKMJGZUAZ-ACJLOTCBSA-N 408.911 1.606 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1c(CC)nn(C)c1OC 1705501181 WWJOKSCJXJMTJM-OAHLLOKOSA-N 410.526 1.950 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1705567717 ZUBOVSOIHQVYAM-RDJZCZTQSA-N 403.508 1.325 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCO[C@@H](C)C1 1705898837 ZELMJWUFEHCCDN-HNNXBMFYSA-N 415.494 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCOC[C@@H]1C 1705929053 YUAPYJNSHGPLRZ-AWEZNQCLSA-N 413.544 1.022 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(N(C)C)c1 1706074912 GSEPSOUSVOTZJI-NVXWUHKLSA-N 416.551 1.890 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1 1706584255 ROXFYMWHNAAORR-GOSISDBHSA-N 412.494 1.730 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)N(C)C 1706783256 IBLNHCSTFINNCO-QGTPRVQTSA-N 409.494 1.702 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1709901001 QFJQLZUPMJHCRF-IAGOWNOFSA-N 407.478 1.010 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C1 1712053620 HHQCCSQTUXRQTR-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccsc1 1722296941 WEDDABWSAPTIFR-SUNYJGFJSA-N 408.549 1.607 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccc(C)cc1)N1CCOCC1 1722342061 QYMDHOUITSWWMK-FQEVSTJZSA-N 424.549 1.868 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCNC(=O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1722364000 IZXUZXVKNIIQDY-DLBZAZTESA-N 423.583 1.581 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@@H](C)SC)CC1 1722435076 BCJDDCPVSBVBFJ-MRXNPFEDSA-N 423.550 1.428 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N(C)C 1722447428 NATWIPJVLDFNML-HZPDHXFCSA-N 400.483 1.211 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nccn2C(F)F)CC1 1722559924 MEIIZGIJCQFTSG-GFCCVEGCSA-N 415.470 1.685 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC1(C)COC1 1723616641 IRFHZWVKRQDBRT-UHFFFAOYSA-N 424.509 1.046 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@@H]2CCOC2)CC1 1724012523 UCKCQLVVJOHXNA-DLBZAZTESA-N 416.526 1.802 30 10 HDEE CCN1CCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1728586943 VGGFKRWXQNAXPM-OPYAIIAOSA-N 418.542 1.532 30 10 HDEE C#CCCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740592986 ORMPQLXDAXFEHD-QZTJIDSGSA-N 412.490 1.651 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCC[C@H]1OC)[C@H]1CCS(=O)(=O)C1 1740627235 OTBTWXUVRGCDLY-OKZBNKHCSA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCN1CCOCC1 1740634568 NAOBZUKVFUDLKB-UHFFFAOYSA-N 421.501 1.511 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1740690104 GRWKUXQWRDEUNX-LJQANCHMSA-N 408.550 1.611 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 1740719098 HSUKWAYLOFRTIG-UHFFFAOYSA-N 413.547 1.946 30 10 HDEE C=CC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCNC(=O)CC1)c1ccccc1 1740854177 DLQRLTNZYIRAFC-QZTJIDSGSA-N 408.506 1.915 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1740964915 XLKYUSXPOFIIIW-MRXNPFEDSA-N 416.869 1.541 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCS[C@H](C)[C@H]1C 1740966014 OEGFOFVELYMBKB-AIANPOQGSA-N 409.556 1.635 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1741293066 IZJHJAKCAOHFIA-ROUUACIJSA-N 421.505 1.304 30 10 HDEE Cc1ccccc1N1CCN(c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1742442382 IWJAKEUCCQHWNB-QZQOTICOSA-N 421.505 1.748 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NC1(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCCC1 1746660466 FTGSPHZVEJSODJ-SGYMCOKNSA-N 403.523 1.426 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCn2cc(C)cn2)CCOC1 1746698952 GGFHNEGKZCOINK-MOPGFXCFSA-N 403.462 1.577 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1747860404 OJJQMSBUOARGIX-CQSZACIVSA-N 407.434 1.911 30 10 HDEE C#CCCCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748731170 WFFGDVLTNDCKJE-JOCHJYFZSA-N 415.538 1.933 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1748755754 CBUKJTZXQBIOJW-LJQANCHMSA-N 423.565 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1748889823 HAYGXLBWMTUJOD-RWNPKEDZSA-N 422.489 1.161 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCN(CC)C1 1748923160 WIQJWZXTQREPTB-QGZVFWFLSA-N 419.533 1.993 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2[C@@H]2C[C@H]2CF)n1 1748970570 JZEWLADFLGLGMM-MAUKXSAKSA-N 410.457 1.748 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2-n2cccn2)CC1 1749000034 KTKUEDZABAIHIK-UHFFFAOYSA-N 405.506 1.804 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2F)CC1 1749033026 YBRLQRPFWBMQDG-UHFFFAOYSA-N 424.509 1.962 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CC)C1 1749103889 GOMAPSDIZLBSBF-CHWSQXEVSA-N 419.345 1.704 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1749361879 QVSYCYHWFHYPJY-INIZCTEOSA-N 421.498 1.815 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1749670474 RSVYZVQHZVZNCT-UHFFFAOYSA-N 403.531 1.432 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)N(C)C2CC2)C1 1749717894 QHKMBCDVLZBINH-WMZOPIPTSA-N 402.543 1.665 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1cnccn1 1749725765 YWCKUNWEDXSBGL-UHFFFAOYSA-N 423.502 1.844 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1749743858 BAQVSSYHMUWQEG-RHSMWYFYSA-N 417.601 1.813 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1CCN(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187566 KGAZTUPITWNDAJ-LJQANCHMSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nccs1 1760210976 ZXGKWWJKVZNPLS-AWEZNQCLSA-N 406.537 1.050 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN(C(C)C)C2)CC1 1760252833 XDVGLUNLJZESCU-IBGZPJMESA-N 415.586 1.292 30 10 HDEE C=CCCCCn1c(CC2CCCC2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1760429131 SKILPXMVWSEKOF-KRWDZBQOSA-N 400.527 1.514 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCCC2)C1 1760543883 UCWNLZGAVSCELP-ROUUACIJSA-N 423.583 1.447 30 10 HDEE CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CC[C@@](F)(C#N)C2)nnc1C(C)(C)C 1768432149 HQGMQPYEMSMPGL-HRAATJIYSA-N 419.549 1.960 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccccc2C#N)CC1 1768446775 CKYUDEAKPBKRLR-UHFFFAOYSA-N 418.505 1.950 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCN1CCOC[C@H]1C 1770016121 KACLMKCKTRWHIS-OPYAIIAOSA-N 420.558 1.853 30 10 HDEE CC(C)(C)OC(=O)NCCc1cn(CC(=O)ON2C(=O)c3ccccc3C2=O)nn1 1772794553 PABHFKJPJAGZOK-UHFFFAOYSA-N 415.406 1.100 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)CC1 1848883037 WKQBCFMMZPZCOE-SFHVURJKSA-N 416.522 1.015 30 10 HDEE CN1C(=O)C[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)[C@@H]1c1cccc(F)c1 1851092185 UOQALKOTRHLWTA-YOEHRIQHSA-N 401.419 1.610 30 10 HDEE O=C(CS(=O)(=O)c1ncc(Cl)cc1Cl)NCC#CCN1CCCCC1 1851193492 ZLBLRBMEFOICOC-UHFFFAOYSA-N 404.319 1.768 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)C3CCN(c4ccc(Cl)nn4)CC3)CO2)nc1 1851683359 SZMAIWZGWYVBDD-HNNXBMFYSA-N 414.853 1.977 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)c3cccnc3)CO2)nc1 1851793122 CYEOUYYNCMOAOR-ROUUACIJSA-N 407.430 1.707 30 10 HDEE C=CCN1C[C@H](C(=O)N(CCN2CCOCC2)c2snc(Cl)c2C#N)CC1=O 1852651197 DVKYPFSXFYOUHL-CYBMUJFWSA-N 423.926 1.368 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852808883 HYFMOYZWNYGHLQ-UHFFFAOYSA-N 418.461 1.123 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2cccnc2N2CCC[C@H](C(=O)OCC)C2)CC1=O 1853302638 QTKAHVIXOBYSQK-HOTGVXAUSA-N 400.479 1.834 30 10 HDEE CSc1cccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1853391701 PDSZYSOXMPYAHD-HNNXBMFYSA-N 422.514 1.772 30 10 HDEE N#CCC(=O)N1CCN([C@H]2CCN(Cc3cccc(Br)c3)C2)CC1=O 1854202735 OHDISKCRFSBYOK-INIZCTEOSA-N 405.296 1.608 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)Cc2noc3ccccc23)CC1=O 1854522234 BMAFKRGHIQOTRV-CQSZACIVSA-N 405.476 1.931 30 10 HDEE Cc1ccn2cc(C(=O)N3CCN([C@H]4CCN([C@@H](C)CCC#N)C4)CC3=O)nc2c1 1854947685 PWBSFDRKGNNMBP-ROUUACIJSA-N 408.506 1.694 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ncccc3Br)C(=O)C2)C1 1855072551 JQKSAKOHTGIPOY-ZDUSSCGKSA-N 406.284 1.116 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3COCCO3)C(=O)C23CCCCC3)s1 1855619806 WVUDLXDYRVKHGB-KRWDZBQOSA-N 403.504 1.909 30 10 HDEE C=CCCN(C)C[C@@H]1CC(=O)N(C(=O)[C@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1 1856101566 WSRSQEGXFVDXPA-GJZGRUSLSA-N 419.503 1.103 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3Cc4cncnc4C3)ccc21 1856466331 QHWCWRUMZYCURT-UHFFFAOYSA-N 412.471 1.953 30 10 HDEE Cc1nnc(C(=O)N2C[C@H](CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)o1 1856630049 REZAPUOKSWGSGT-INIZCTEOSA-N 409.446 1.782 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCN(Cc4ccccn4)CC3)CC2=O)cc1 1856704454 PBDZJLQDIOGFJH-IBGZPJMESA-N 403.486 1.760 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2ccc(N(C)C)nc2)C1)[C@@H]1CCN(C)C1=O 1857050900 RDISDGUFUYJMRO-FUHWJXTLSA-N 413.522 1.245 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2cc(C3CC3)on2)C1)[C@H]1CCN(C)C1=O 1857066977 BPQKYWQKTFATCV-YOEHRIQHSA-N 400.479 1.650 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)[C@@H](F)C2CCCC2)C1=O 1857150992 LWZMWJVRAHCALL-IRXDYDNUSA-N 400.458 1.124 30 10 HDEE Cc1nnc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCCC4)CC2)nc1O 1859427931 BCGQZAVRTSRADX-UHFFFAOYSA-N 413.507 1.458 30 10 HDEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873593050 CLKNLPUFVCBRSU-UHFFFAOYSA-N 401.467 1.073 30 10 HDEE COCCN1CC(=O)C(c2nc(C)cs2)=C1NC(=O)CNC(=O)c1ccccc1 1873710730 RSUINUUHVHFZFM-UHFFFAOYSA-N 414.487 1.197 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](N=c2[nH]ccc(C#N)c2Cl)[C@@H](S(C)(=O)=O)C1 1877659356 NMHPYBQMDIRDAN-RYUDHWBXSA-N 400.888 1.473 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 1889529111 HSIIMUHISLBVGZ-UHFFFAOYSA-N 409.527 1.246 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]21 2174781137 CEJCQIFPNRIUPZ-OXGONZEZSA-N 401.529 1.772 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC2(C#N)CCOCC2)C[C@H]1CNC(=O)OC(C)(C)C 2174784480 OEISEVKVMXYAFV-LSDHHAIUSA-N 401.529 1.729 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CCNS(=O)(=O)CC2(C#N)CCCC2)C1 2238466866 YUICFYPYBHKCEA-GOSISDBHSA-N 401.529 1.752 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2243419318 WKBCQQLIMMQYBZ-UHFFFAOYSA-N 415.324 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243697901 NESFTHHYCOWHDF-ZDUSSCGKSA-N 412.267 1.057 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)n[nH]3)[C@@H]2C1 2247826866 ARJVHVUPOXSPTP-VXGBXAGGSA-N 418.303 1.304 30 10 HDEE Cc1c(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247913856 BOXUFYAVJIKQBY-UHFFFAOYSA-N 420.319 1.377 30 10 HDEE CCC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2247919533 WPHMHVLZHGRPJC-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC3CS(=O)(=O)C3)c2Cl)OC1(C)C 2267109886 WFOAHYPRITWKNX-UHFFFAOYSA-N 405.734 1.475 30 10 HDEE C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352286 CRKVFYADZHFBJT-VHSXEESVSA-N 409.766 1.996 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2281998971 AOIQALWPZHILGD-RYZVSIALSA-N 400.375 1.965 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCS(=O)(=O)C(F)(F)F)ns2)OC1(C)C 2282002739 SHJHZIIFNMHRIE-UHFFFAOYSA-N 414.236 1.107 30 10 HDEE COC[C@@]1(NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCNC1 2282057813 LMJTYBRRCDIORV-QGZVFWFLSA-N 400.737 1.809 30 10 HDEE CN(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1Cl 2282135337 CUMIJHWNDJUVSE-UHFFFAOYSA-N 401.721 1.756 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)CC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282326382 RPLLRUSGFXRSQM-STQMWFEESA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCS[C@@H](CCO)C3)c2)OC1(C)C 2282340499 GOZYVJPYSGVGEP-ZDUSSCGKSA-N 419.399 1.536 30 10 HDEE CC[C@@H](C)[C@H](CO)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415167 CWIFPBHXRZJADL-NEPJUHHUSA-N 404.363 1.269 30 10 HDEE CN([C@H]1CCC[C@@H]1CN)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282420837 FSCGBKDNKVIYPT-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CO[C@H]1C[C@H]1CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282497030 KUPXCNUQCPLKNL-STQMWFEESA-N 401.359 1.977 30 10 HDEE COCCN(C1CC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282500733 MWFUBBRLPYNSJP-UHFFFAOYSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCS(=O)(=O)N3)sc2Cl)OC1(C)C 2282621044 NDPPQYZTRGZTGN-VIFPVBQESA-N 420.749 1.122 30 10 HDEE Cc1cc(S(=O)(=O)N(C)CCS(C)(=O)=O)sc1B1OC(C)(C)C(C)(C)O1 2282829591 HANWRDNWHQVHJB-UHFFFAOYSA-N 423.387 1.021 30 10 HDEE CN([C@@H](CCO)C(F)F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282851185 YRWYENQEMHNFPA-NSHDSACASA-N 411.301 1.684 30 10 HDEE CC(C)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282870461 SIMNBGCKTJDMQI-OAHLLOKOSA-N 403.737 1.934 30 10 HDEE CNCCC[C@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282872472 XBTXISGAUVTDAH-ZDUSSCGKSA-N 402.391 1.855 30 10 HDEE CC1(C)OB(C2=CCC[C@H]2NC(=O)CS[C@@H]2CCS(=O)(=O)C2)OC1(C)C 2283943168 VHKRIHRJUJNGTP-TZMCWYRMSA-N 401.359 1.743 30 10 HDEE C=C(CS(=O)(=O)N[C@H](Cc1cncs1)C(=O)O)B1OC(C)(C)C(C)(C)O1 2284404252 XJNYQXAZIBPMGM-GFCCVEGCSA-N 402.303 1.246 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1ccncc1 2327876440 HIUDKTDFCMMUOQ-CQSZACIVSA-N 416.507 1.935 30 10 HDEE Cn1c(NN=Cc2ccncc2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C 2328607813 AUGNKHYQNWYNIF-UHFFFAOYSA-N 423.864 1.976 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CP(C)(C)=O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2342049180 ROHYFENSFKFJTP-KGLIPLIRSA-N 406.485 1.800 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@@H](O)c1cc(I)nn1C 2361370693 MQUPKUREXJUNRM-ZWNOBZJWSA-N 405.305 1.935 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@@H](O)c1cn(C)nc1I 2361373053 JNKJKJXCYQIVPZ-RYUDHWBXSA-N 405.305 1.935 30 10 HDEE CN(CC1(S(C)(=O)=O)CC1)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362506750 BRGDJVBRJRXFLN-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1Cc1c(Br)c(Br)nn1C 2364441039 PFDGYZKXAJYANP-UHFFFAOYSA-N 403.034 1.436 30 10 HDEE CC[C@@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203309 IRSYEIGNNCHUTO-HNAYVOBHSA-N 402.557 1.409 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365207984 BMVHYUULEQNMBB-ZTENYAIWSA-N 400.541 1.161 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc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c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369539290 BBANMPAEIMIBDQ-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE Cc1cc(C)n(C(=O)CSc2nnc(N/N=C/c3cnn(C(C)C)c3)n2N)n1 20920747 QHXAADWCPMELBS-NGYBGAFCSA-N 402.488 1.461 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C[C@@H](O)COc2ccccc2)CC1 23409671 RJVAYFIOQPJVAT-GOSISDBHSA-N 401.488 1.304 30 10 HDEE O=C(C[C@@H]1S/C(=N/N=C2\CSC(=O)N2)NC1=O)Nc1ccc([N+](=O)[O-])cc1 39886287 LDKVMQZCNUUQDG-VIFPVBQESA-N 408.421 1.281 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2CCN(c3ccccn3)CC2)c1 56060108 VVAOSIWPFOCOHK-UHFFFAOYSA-N 400.504 1.945 30 10 HDEE O=S(=O)(N=C1NCN(Cc2ccc3c(c2)OCCCO3)CN1)c1ccc(F)cc1 72460036 BTLFLOKTJMLNAD-UHFFFAOYSA-N 420.466 1.642 30 10 HDEE COCCN1C[C@@H](C(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)CC1=O 170509359 YDLVISRVHDQWIZ-HNNXBMFYSA-N 404.430 1.726 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C)C(=O)OC 435951809 XURHOGAHUZNKKO-OALUTQOASA-N 402.491 1.846 30 10 HDEE C[C@@H](C(=O)N(CCC#N)CCN1CCOCC1)c1ccc(S(=O)(=O)N(C)C)cc1 438059922 PAGGWIQMXHRJBH-QGZVFWFLSA-N 422.551 1.115 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(CC)[C@H]3CCOC3)nnc12 462983127 YJTHIGDGZQMTID-AWEZNQCLSA-N 413.503 1.960 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCc2nc(C(=O)OCC)cs2)cc1 469953131 MAAMKKQDHOCLLV-UHFFFAOYSA-N 423.516 1.757 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)S(=O)(=O)CC3(C#N)CCC3)C2=O)c1 477589385 ILCCIAVPAIGLOP-QGZVFWFLSA-N 407.492 1.765 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C(F)(F)F)CC1 482351497 PDCPHKDRRRSWIS-KRWDZBQOSA-N 414.428 1.928 30 10 HDEE COc1ccc(CN2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)cc1F 489053934 XRAFOAAZQOSEBU-UHFFFAOYSA-N 404.467 1.916 30 10 HDEE COc1cc(C[C@H](CO)CNS(=O)(=O)c2cnc(C)c(C#N)c2)cc(OC)c1 489524238 PZGDVWDSALXKPE-HNNXBMFYSA-N 405.476 1.408 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cc(C)ccc1F 508910662 DOVJQVTYVBESSP-QGZVFWFLSA-N 423.514 1.881 30 10 HDEE COc1ccnc(N2CCN(C(=O)C3CCN(c4oc(C)nc4C#N)CC3)CC2)n1 530540067 YERBPPBSZBAXBN-UHFFFAOYSA-N 411.466 1.219 30 10 HDEE C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 545464202 YPANRYLTDCBTEW-MFKICJERSA-N 424.505 1.349 30 10 HDEE CNC(=O)CCOc1ccc(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546216664 IQSHTWDMYZBSIV-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCOC2)CC1 559218306 AVEUWZIWUDFCRU-KRWDZBQOSA-N 404.559 1.327 30 10 HDEE CCO[C@@H]1C[C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)[C@@H]1n1cccn1 566878612 ZECQICPGYUMQQS-LMMKCTJWSA-N 402.476 1.204 30 10 HDEE Cn1c(=O)c(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc2ccccc21 570236752 CODPZSWUPWVTPC-UHFFFAOYSA-N 422.510 1.917 30 10 HDEE COc1cc(CNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1C#N 581519815 QZABQWULCSZGIG-UHFFFAOYSA-N 415.471 1.518 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC(OCCN3CCCC3)CC2)c(F)c1 586859616 CROQAKQOZNZBSS-UHFFFAOYSA-N 402.470 1.417 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 610206250 ZZMILGRQADSWGI-OAGGEKHMSA-N 411.462 1.797 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 670233382 YYKGGUBLLBQPIG-XJKSGUPXSA-N 422.559 1.514 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(c2nccn(C)c2=O)CC1 673745719 XQGZVDILCOEEEZ-UHFFFAOYSA-N 420.473 1.493 30 10 HDEE CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730137323 FHONBCRFZKMVAL-MRXNPFEDSA-N 405.524 1.664 30 10 HDEE COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732665072 WWAIENHDRFEEHC-AEFFLSMTSA-N 416.547 1.745 30 10 HDEE COc1ccc(-c2nnc(S)n2CCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732677984 JANLXECFLOMQCP-MRXNPFEDSA-N 412.519 1.831 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCCN(c2ccccc2)C1=O 733949524 YYDYAXSZSVGVLT-MRXNPFEDSA-N 412.471 1.037 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C#N)ccc2O)C1 748412344 RAQLIHCDTAZVCD-CQSZACIVSA-N 404.448 1.908 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 748415695 ICLDLDFFPRXTKN-IAGOWNOFSA-N 420.487 1.218 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC(=O)OCC(=O)c1ccc(C#N)cc1 755186447 NBKLMTWVVLGWQX-MRXNPFEDSA-N 415.446 1.800 30 10 HDEE COC(=O)c1n[nH]c2ccc(NC(=O)N3CCN(c4cccc(C#N)n4)CC3)cc12 760932657 YBIRXFGFVCHYFR-UHFFFAOYSA-N 405.418 1.970 30 10 HDEE C=C(C)C[C@H](C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 767103514 SXCIBVIFKOBIIE-AWEZNQCLSA-N 418.537 1.510 30 10 HDEE C[C@@H](NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccc(F)cc1 769812530 GHJVTZKZPAIGLM-CYBMUJFWSA-N 419.434 1.396 30 10 HDEE C[C@@H](c1cccc(F)c1)N1CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC1 775535351 IZGAPZUBFBDWKM-ANNUQZOISA-N 400.454 1.947 30 10 HDEE C[C@H](OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)NC(=O)NCC(F)(F)F 780178129 QZZFKOWTXBUHNL-VFZGTOFNSA-N 409.361 1.568 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@@]23CCN(C(=O)OC(C)(C)C)C3)CC1 780286248 ASILMEUOSDZZNJ-HRAATJIYSA-N 406.527 1.080 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3cccc(OC)c3)C2)n1 788966099 MJHFITZYXBFYTL-SFHVURJKSA-N 411.506 1.962 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)OCC#Cc1ccccc1Cl 789120939 VKVNWHYEFHCJRU-IBGZPJMESA-N 404.850 1.850 30 10 HDEE O=[N+]([O-])c1ccc(CS(=O)(=O)NN=Cc2cnnn2Cc2ccccc2)cc1 792995917 OVOQIIDIMPCYOG-UHFFFAOYSA-N 400.420 1.688 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cccnc1F 794007292 OPJRNLMINUVJKV-HNNXBMFYSA-N 404.467 1.990 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C(C)(C)CC)sc(=Cc2cnn3ccccc23)c1=O 794646357 XHDJUGOPZWCMNU-UHFFFAOYSA-N 404.495 1.699 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=S)Nc2ccc(C#N)c(Cl)c2)C1 806592695 DFDPUORDIQSFKQ-CYBMUJFWSA-N 401.945 1.769 30 10 HDEE CCN(CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H](C)[C@@H](O)c1ccccc1 812849779 JFJCZSXENJQVMC-IIBYNOLFSA-N 411.506 1.947 30 10 HDEE COC(=O)[C@@](C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccc(F)cc1 813318441 VEYQNFKXYFQHHS-IBGZPJMESA-N 419.434 1.069 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)c1cscc1C#N 814611524 SDDJHUDZWNAMRJ-SNVBAGLBSA-N 405.457 1.402 30 10 HDEE COC(=O)CCc1c(C)nn(-c2ccc(C(=O)N[C@H]3CCN(O)C3=O)cc2)c1C 820184746 DDAVXRGHTMDMLM-KRWDZBQOSA-N 400.435 1.315 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@](O)(Cc4nc(CC)no4)C3)cc2C1=O 856697263 CQRUSXJCMYHNFX-QFIPXVFZSA-N 424.457 1.624 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N1CCO[C@H](C(F)(F)F)C1)NC(=O)OC(C)(C)C 883979599 QIQHGHZCOWMFDM-RYUDHWBXSA-N 410.389 1.789 30 10 HDEE CC(C)n1cc(C=NNc2nnc(SCC(=O)Nc3ccccc3C#N)n2N)cn1 1084005601 VRQXNTJITHVQAS-UHFFFAOYSA-N 424.494 1.818 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)c(C)s1 1125454935 CJLCQVUCTRBOMF-UHFFFAOYSA-N 404.517 1.707 30 10 HDEE N#Cc1cccc(NC(=O)c2ccc(I)cc2-n2cnnn2)n1 1130316489 RIHUCUCHCKWZIC-UHFFFAOYSA-N 417.170 1.786 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1133352614 CFNJLHDFVNWIIL-UHFFFAOYSA-N 406.439 1.618 30 10 HDEE N#C[C@@]12CN(C(=O)C(F)(F)c3ncccc3Br)C[C@H]1CS(=O)(=O)C2 1134055719 CVMRTMXNFQPBSX-ZANVPECISA-N 420.235 1.333 30 10 HDEE N#Cc1c(NC(=O)c2cccc(NC(=O)CCn3ccnc3)c2)nc2n1CCOC2 1135006547 WRIVBRZULMLPCJ-UHFFFAOYSA-N 405.418 1.763 30 10 HDEE C=CCN(C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1136358218 JOZOOUAGIRPAHB-RBSFLKMASA-N 404.529 1.052 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H]3CCCN3CCCO)C2)C1 1141312009 VTKAYTPYIUJUGE-RKQJOMJXSA-N 420.554 1.736 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2NC1=O 1141380638 XBGIDNQQFWSFPX-GJZGRUSLSA-N 418.450 1.185 30 10 HDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1ccc(F)cc1 1159489547 GQKPEBZHIQZCGA-UHFFFAOYSA-N 422.420 1.795 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)n1 1160793925 ICDASQDXEAKNBK-FUHWJXTLSA-N 417.347 1.888 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)[C@@H](O)c1ccncc1 1169737044 VDSMOAYEUOGSGI-KBPBESRZSA-N 408.336 1.762 30 10 HDEE C=CCCOCCNS(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1188907264 GXIQVZSAWISVPO-UHFFFAOYSA-N 405.274 1.371 30 10 HDEE CN(C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1nc(C#N)cs1 1251295620 HYROZNIRNUBCTA-INIZCTEOSA-N 400.508 1.103 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1286325371 XLVMPMVRBYHGFD-JKSUJKDBSA-N 408.528 1.153 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1286359962 ADLMUOPXRYCLGP-SCLBCKFNSA-N 409.512 1.075 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286466647 LFUBKBDNJQBSSK-DENIHFKCSA-N 411.506 1.688 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCC#N)CCOC 1286552764 ATUSAXJOZWNTSS-RYRKJORJSA-N 402.499 1.577 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1286788103 QFQWXKIFTBXBEV-UONOGXRCSA-N 416.448 1.157 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2ccc(F)cc2F)C1 1286793191 VFKDRDNDDKCZIO-KRWDZBQOSA-N 421.448 1.973 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)CC=C)C1 1286805745 WRGBGMWPHQLEBC-MRXNPFEDSA-N 405.524 1.666 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1286822614 LPPJYLBVIMCGAS-QGZVFWFLSA-N 419.551 1.726 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C 1286832688 XPLWNHVVMJWURE-GJZGRUSLSA-N 415.585 1.519 30 10 HDEE N#CC[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)C(F)(F)F 1289058660 UQRLSCWCVLQWFD-NSHDSACASA-N 411.427 1.272 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)C[C@@H](C)O1 1291218222 PIECHAADPDJCKZ-GASCZTMLSA-N 418.523 1.370 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1292703936 NSZKRUZZYDITHU-KKSFZXQISA-N 424.517 1.654 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1292780638 GTXBPZQYTBKQAJ-INIZCTEOSA-N 422.493 1.345 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1Cc1cnn(CCOC)c1 1293004612 QMAWCRUKTBPFQK-UHFFFAOYSA-N 408.466 1.267 30 10 HDEE CC[S@](=O)CCn1c(N2CCC(C#N)CC2)nnc1[C@]1(OC(C)C)CCOC1 1297828542 PLCFHANFCFVJMK-VKGTZQKMSA-N 409.556 1.827 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)[C@@H]4COCC[C@H]43)n[nH]2)c1C 1299144993 VMCBWCVPBFOMPN-IAGOWNOFSA-N 419.507 1.104 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OCCN(C)C)cc1 1300322380 RHUNKDPLEMXYTO-GOSISDBHSA-N 424.549 1.847 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCCCOC)[C@@H]1CCS(=O)(=O)C1 1300495192 FGEPVPGZXYKERR-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1300577902 DZVJESHBXIJAMB-XBMUEBEBSA-N 418.563 1.848 30 10 HDEE C#CCN(CCOC)c1nnc(CCc2ccccc2)n1C[C@H]1CCS(=O)(=O)C1 1300675560 STVPSVRCSHDSGX-LJQANCHMSA-N 416.547 1.584 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1300767649 CYSGCZAGIPSARZ-INIZCTEOSA-N 422.580 1.129 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N(C)CCS(C)(=O)=O 1300887393 BWTFAYABEFABTL-PKOBYXMFSA-N 419.551 1.726 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1300946245 TXGKOEQVGCXLTN-HNNXBMFYSA-N 400.483 1.887 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)cc1 1301311206 KLCKDHMDWLLASN-INIZCTEOSA-N 406.508 1.171 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C[C@H](C)O1 1301360903 MODTWLZHLJJGDQ-ZYSHUDEJSA-N 413.478 1.472 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1301491312 PALNPYHBOYPECW-MRXNPFEDSA-N 421.509 1.471 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@]2(O)CCSC2)C1 1301557976 YLIBURLLHGHVCX-FXAWDEMLSA-N 401.536 1.913 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCC[C@H]1OC 1302310706 CNLYQYICUOJVAI-AVEIZBFRSA-N 405.499 1.546 30 10 HDEE CS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1302464747 DWVANUJECIMZBF-QGZVFWFLSA-N 415.519 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@](OC)(C(F)(F)F)C2)s1 1303064514 ROFPNFHEDLGGNW-CQSZACIVSA-N 412.455 1.935 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CCCNC(=O)c1cccc(O)c1 1303636543 PKMWMQOQEIYVCX-HNNXBMFYSA-N 420.477 1.999 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C4(O)CCC4)CC3)CC2)cc1 1304201683 HMUWINGQOLNZMZ-UHFFFAOYSA-N 417.531 1.770 30 10 HDEE Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)s1 1304779676 IBNWFMKOEPWRCF-UHFFFAOYSA-N 414.539 1.933 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H](C)c1nc(C(F)(F)F)no1 1313429687 FNKYHJLXFFRFKV-VHSXEESVSA-N 410.360 1.731 30 10 HDEE C#CCN(C(=O)c1cc(Cl)no1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1358762888 JPFPFXLHHCDWRU-JSEZXORMSA-N 403.866 1.818 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1358890079 KQKRYWOBNLCKFF-CJNGLKHVSA-N 423.564 1.487 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1358924708 FYTSLWVHMJWLAK-UHFFFAOYSA-N 404.492 1.611 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1358957130 QEDACUFTZYYANV-IBGZPJMESA-N 410.503 1.447 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCN(CC)C2)CC1 1359044094 VJQZVVXCDXKJOT-KRWDZBQOSA-N 422.537 1.043 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CCC2(O)CCOCC2)CC1 1359046978 MRMGTHMZWFSWOQ-UHFFFAOYSA-N 415.538 1.128 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NCC)CC1 1359104853 GNGVGEYIIXOZCZ-KZNAEPCWSA-N 418.542 1.962 30 10 HDEE C=C(C)COCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1359137110 FPUWRMFTIJZEPF-UTKZUKDTSA-N 419.526 1.334 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@H](COC)C1 1359142282 DQTVKSFLJBQFHR-KBPBESRZSA-N 405.952 1.894 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1360470803 VHGNHORYQWXUMM-AWEZNQCLSA-N 413.438 1.450 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NCCN1CCOCC1 1440751973 ABOBNCZNQGTRNJ-LJQANCHMSA-N 414.506 1.841 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)c1 1452503224 ZBBZNVFFCSKETO-OAHLLOKOSA-N 404.517 1.879 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1 1452948371 SOCFCKWYMNRMPQ-QHAWAJNXSA-N 423.469 1.822 30 10 HDEE C#C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C1CCOCC1 1461710721 JNJBJJASNTZYAS-SFHVURJKSA-N 415.515 1.392 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1464044312 ZZTFSNMQIMGCOC-UHFFFAOYSA-N 416.345 1.929 30 10 HDEE Cn1nc2c(cc1=O)CN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 1465519455 GTVKMPQHJFKJPM-UHFFFAOYSA-N 400.479 1.316 30 10 HDEE N#Cc1cn(CC(=O)N2CCc3c(Br)ccc(F)c3C2)c(=O)nc1O 1466733881 DMWHDEJSIBLJML-UHFFFAOYSA-N 407.199 1.307 30 10 HDEE C[C@](O)(Cn1cc(C(F)(F)F)ccc1=O)C(=O)NCc1ccc(C(=O)NO)cc1 1467527762 FXDMAJNUPKPGNC-KRWDZBQOSA-N 413.352 1.054 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCCNS(=O)(=O)c3cccnc3)CCO2)cc1 1469468798 OJHXPOXVQPBVGI-GOSISDBHSA-N 415.475 1.015 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H](O)C(=O)OCc1ccccc1 1471507580 WDVWISVHTMGAIH-SJORKVTESA-N 419.478 1.794 30 10 HDEE COC[C@@H]1COCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1472007327 BWEZJUJRGDMAMH-OAHLLOKOSA-N 409.508 1.159 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F 1472226171 HSDQAGIFFFJTRH-JKOKRWQUSA-N 405.398 1.309 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cnc(NC(=O)OC(C)(C)C)s2)CC1 1474681573 KHGONMPAKHCVKY-UHFFFAOYSA-N 415.541 1.075 30 10 HDEE C#C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2ncccn2)c1)[C@@H]1CCCO1 1476427866 KBJJUBATUJGVTH-HOTGVXAUSA-N 401.448 1.580 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C 1478567075 FKOYPIWOKDCXBU-FUHIMQAGSA-N 413.522 1.410 30 10 HDEE COCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1504894696 SBPGEZSFSLUJTB-INIZCTEOSA-N 414.514 1.059 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507560281 FRKYVQBLOUGUTQ-ZWKOTPCHSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c(-c2ccc3ccccc3n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507579910 KZKQMWMJDFAVTR-LJQANCHMSA-N 404.474 1.858 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CC1CCN(CC(F)(F)F)CC1 1507605971 YDTUDRUHDXZCJR-UHFFFAOYSA-N 400.449 1.760 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H](OC)C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1507637747 MWZDJRAGIQLUFC-CVEARBPZSA-N 412.556 1.502 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(O)CCN(C)C1 1507681288 RUYLOAPXCZTZOO-GOSISDBHSA-N 421.343 1.572 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@]2(O)CCOC2)CC1 1507722082 YPKHOQOZGSESKN-HXUWFJFHSA-N 401.898 1.505 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](C)COC)CC1 1507723182 YRFYOWOXFFCHGW-KRWDZBQOSA-N 411.506 1.754 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)c2ccccc2)CC1 1507723286 CHKDTZWSKSRRFG-KRWDZBQOSA-N 414.460 1.776 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2=CCCOC2)CC1 1507739298 OTFKZOXTQPPSQX-IBGZPJMESA-N 413.522 1.832 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)C[C@H]1CCCO1 1507751172 LHGGXVFIOCWJKE-HZPDHXFCSA-N 412.581 1.552 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1507972498 HSRGEPBFUDDCRV-UHFFFAOYSA-N 409.512 1.476 30 10 HDEE CC(C)(Cn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1508712088 CZKHERPIOVQDIO-NRFANRHFSA-N 413.501 1.817 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC[C@H]2CCOC2)C1 1521069869 UYZRWKQVUXPFJB-UZLBHIALSA-N 420.489 1.286 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(I)c([N+](=O)[O-])c2)nn1 1529264770 JNDWLIVNABMCPG-UHFFFAOYSA-N 413.175 1.907 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1535481609 IZMWZMJEEVAESV-UHFFFAOYSA-N 408.443 1.284 30 10 HDEE C#Cc1cncc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncc(OC)cn3)cc2)c1 1535911031 CDDRWZQFBSJVFF-UHFFFAOYSA-N 409.427 1.915 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@]2(C[C@@H](C)CC(C)(C)C2)C1=O)C1CCN(C)CC1 1536121626 BVZVETSKLJLWNP-KSFYIVLOSA-N 402.539 1.679 30 10 HDEE N#C[C@@]12CN(C(=O)c3c(C(F)(F)F)nc4n3CCCC4)C[C@H]1CS(=O)(=O)C2 1536180307 QGTYGKVSOPBUOS-BONVTDFDSA-N 402.398 1.249 30 10 HDEE CS(=O)(=O)c1ccc(/C=C\C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)o1 1536971009 BGEILDMYQYCSGE-PXAMLJHWSA-N 413.455 1.880 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccc(-n4cc(Br)cn4)nn3)CC2)C1 1538583384 UOSOUESJQINILV-UHFFFAOYSA-N 418.251 1.903 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(OC)CCOC1 1539299877 OKNFVMUISQYYNC-FCHUYYIVSA-N 416.522 1.587 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1Cc1ncn(C)n1 1539407576 HOMLVQPGHHPNBO-UHFFFAOYSA-N 404.478 1.700 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539701517 JUHJDOOYCRPTQP-QRWLVFNGSA-N 402.499 1.910 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1540036901 WYOQOWCSXHGNTN-DLBZAZTESA-N 412.556 1.634 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CCC(=O)N(C)C 1540181971 DOBZCIONXJKFTL-UHFFFAOYSA-N 414.510 1.821 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2nccs2)CC1 1540871993 ZFGYVUXFGARFGB-OAHLLOKOSA-N 402.524 1.925 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1541095231 DELKCWYFQFFMLV-UHFFFAOYSA-N 407.478 1.995 30 10 HDEE CC(C)(C)[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1541167595 IXMHFIPTXHZNPD-CWFNNOHCSA-N 414.510 1.933 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1)N(C)C 1541864987 GUVLVUYWBJQWOV-VFNWGFHPSA-N 411.510 1.381 30 10 HDEE Cc1cccc(O[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)c1 1542233972 HGVWTNQIIUSKFC-SJLPKXTDSA-N 412.494 1.921 30 10 HDEE C=CCN(C(=O)c1cccc(I)c1N)[C@H]1CCS(=O)(=O)C1 1543487066 FJPYGVZSKGROOK-JTQLQIEISA-N 420.272 1.689 30 10 HDEE CCN(CC)CCCn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1547495162 FWLOJHINGOIWDY-WIYYLYMNSA-N 420.558 1.779 30 10 HDEE CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1547728481 BSEUIAJDYINJIO-QUCCMNQESA-N 415.586 1.938 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)CC1 1555198817 NYCPLBPTUZLWKX-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc2O1 1557143786 DMJGDRKAIQKHNN-HUUCEWRRSA-N 422.503 1.644 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCOCC1 1557577497 HDQZPEMTSGWKSX-HKUYNNGSSA-N 406.504 1.302 30 10 HDEE N#Cc1ccc(Nc2cccc(C(=O)NCCc3nnc4n3CCNC4=O)c2)cc1 1558355187 FEFOOZDCBDFUHH-UHFFFAOYSA-N 401.430 1.609 30 10 HDEE Cn1cc(CNC(=O)NCC(C)(C)CS(C)(=O)=O)c(-c2ccc(C#N)cc2)n1 1564544553 NVXMCAMNDGHKQF-UHFFFAOYSA-N 403.508 1.829 30 10 HDEE Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)o1 1565814372 VGFWNTWELUIIRH-DVSFIDLUSA-N 407.430 1.921 30 10 HDEE COC(=O)[C@H]1CCN(C(=O)c2cccc(C#N)c2Br)[C@@H](C(=O)OC)C1 1583241572 RVQKOMJGMQKSTJ-GXFFZTMASA-N 409.236 1.888 30 10 HDEE Cn1cnn(CCC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c1=O 1585625290 MBWMZYJITIVROI-OCAPTIKFSA-N 422.276 1.601 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1586085549 QVZLEUZMVLYLNC-LJQANCHMSA-N 418.475 1.322 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1588041006 TZKLZDCREWHSOK-SJORKVTESA-N 418.519 1.900 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C(C)=O)CC1 1595529792 ICUCEJAVOHQQKW-UHFFFAOYSA-N 421.505 1.408 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N1CC[C@@H](C(=O)OC)C1 1595562123 NVQFDBUVMQFGQT-OAHLLOKOSA-N 422.489 1.652 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccn3)n2CCN2CCCS2(=O)=O)C1 1595705722 DBEUVPPSNZFTAI-INIZCTEOSA-N 418.523 1.157 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1595776746 DZAJZCUNLXRXJI-AEFFLSMTSA-N 420.535 1.786 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNC(C)=O)C1 1595878095 IJFBKBORXZAXQG-HZPDHXFCSA-N 406.556 1.501 30 10 HDEE C=CCSCCn1c(CC(C)(C)C)nnc1N1CCN(CC(=O)N(C)C)CC1 1595884691 QHFVBQWKLIBACL-UHFFFAOYSA-N 408.616 1.996 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1597832024 GOMWMWVUWOBIJG-QGZVFWFLSA-N 411.510 1.884 30 10 HDEE Cc1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1612560656 XLPPIOWNXCJWDP-DLBZAZTESA-N 406.556 1.921 30 10 HDEE C[C@@H]1COCCN1CCn1c(Cc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1613012142 CBINZXNHVIIQIL-SJLPKXTDSA-N 414.485 1.457 30 10 HDEE CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 1614784763 FIQJSLMWSCPCRG-INIZCTEOSA-N 412.560 1.787 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCOCC1 1616764046 ZSHMGUSNASUBQF-UHFFFAOYSA-N 410.467 1.149 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCOC1 1617735764 UQRJHFPEUPHDBR-KRWDZBQOSA-N 415.519 1.867 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N(C)C[C@H](C)C#N)nnc1[C@@]1(OC(C)C)CCOC1 1618526747 QQRXMMDIJGTJME-FOIQADDNSA-N 406.531 1.687 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 1618706116 ODKVNPAIMYIIDO-QGZVFWFLSA-N 407.923 1.874 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H](COC)[C@H]2CCCO2)c(C#N)cn1CCOC 1623540675 GXSADDLZVOPCHX-HUUCEWRRSA-N 408.455 1.498 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)C1CCN(S(N)(=O)=O)CC1 1626171905 MPQJSJQHRKXLQS-UHFFFAOYSA-N 418.313 1.868 30 10 HDEE N#C[C@H]1CN(C(=O)c2sccc2S(=O)(=O)N2CCCC[C@H]2CCO)CCO1 1628104737 BVERWJWKFRXNNA-KBPBESRZSA-N 413.521 1.038 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncccc3C#N)CC2)c1 1629068297 AZJKQXINMDFNQC-UHFFFAOYSA-N 413.434 1.352 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1)C(=O)OC 1629617561 SSYCFIGBOSMNQI-SFHVURJKSA-N 406.504 1.385 30 10 HDEE C[C@H](O)[C@H]1CN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CCO1 1629766946 YFXLYDIXGGVBOL-SUMWQHHRSA-N 400.435 1.631 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)NC(C)C)C2)s1 1630508646 LIFFUUJWRVCLNR-AWEZNQCLSA-N 413.565 1.518 30 10 HDEE C#CCOc1ccccc1CNC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1631796531 RYAIOQSFUHRTGM-UHFFFAOYSA-N 407.478 1.375 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN([C@H]4CCOC4)CC3)C2)C1 1632237661 HZRFBJAZYKYJPY-IOANDJKRSA-N 418.538 1.706 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1([C@@H]2CCCCO2)CCC1 1634325104 UAIUXOWXFCJRKI-KRWDZBQOSA-N 405.520 1.971 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2C[C@H]2CCCO2)s1 1636308409 DBSNZBWVSNDSAM-HUUCEWRRSA-N 414.549 1.551 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](O)CC34CCC4)CC2)cc1 1638443037 JNWAUSCPVLOURB-SFHVURJKSA-N 417.531 1.865 30 10 HDEE N#Cc1csc(CNC(=O)NC[C@H](O)COc2ccc3c(c2)CCC(=O)N3)n1 1638699974 ROUJTTXTCBUHRO-ZDUSSCGKSA-N 401.448 1.139 30 10 HDEE C[C@@](O)(CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(F)c1 1638727224 NIBHEIQLERTMMC-PGRDOPGGSA-N 424.432 1.926 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)cc1 1638948039 GTLUHGXVIWJDPM-NVXWUHKLSA-N 404.492 1.535 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CC(N4CCCC4=O)C3)C2)C1 1639369647 DOISHBQXYJXRBT-FAGJFJLWSA-N 402.495 1.606 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1640587800 ATLFSTNIXZMDEO-CXAGYDPISA-N 400.353 1.103 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CCO1 1641743398 PMGYMTTXQYIDKI-UKSYNSBOSA-N 407.438 1.994 30 10 HDEE N#Cc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(Br)c2)s1 1643089211 HKJIHCNJEKXIEM-UHFFFAOYSA-N 414.306 1.977 30 10 HDEE COc1ccc2ncc(C#N)c(OCC(=O)N(CC(=O)N(C)C)CC(F)(F)F)c2c1 1644052490 ZJZXHKSYMDHHEU-UHFFFAOYSA-N 424.379 1.973 30 10 HDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1645380939 MFIYDQFTFOFVSV-KPYKTUGDSA-N 403.357 1.103 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@@H](n3ccnn3)CC2)CC1 1647893757 GBWMAEMFNLOAIG-QZTJIDSGSA-N 413.551 1.776 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)COCCO3)CC1 1648144780 QCINTJCIMVDDSH-KRWDZBQOSA-N 404.536 1.338 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)C3(c4ccc(C#N)cc4)CC3)CC2=O)C1 1648368630 XMSPJDGNSKIANU-KRWDZBQOSA-N 424.501 1.926 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2c(Br)cnn2C)c1 1648723966 DIHJFAMQIAQRRK-UHFFFAOYSA-N 411.281 1.024 30 10 HDEE C#CC1(F)CN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1651092408 QFWJWSBWUYQAGS-CQSZACIVSA-N 400.859 1.057 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3ccsc3C#N)CC2)CC1 1654225766 FKHNXUKWAJRLKI-GOSISDBHSA-N 400.552 1.434 30 10 HDEE C#CCN1CCN(C(=O)CN(C)Cc2ccc(CN3C[C@H](C)O[C@H](C)C3)cc2)CC1 1654896204 FPLNKRZJVSGMNV-OYRHEFFESA-N 412.578 1.505 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=O)NC3)cc1Br 1656281981 DBHDEDARWPTWAP-UWVGGRQHSA-N 402.245 1.501 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(OC)c(C(=O)OC)c1OC)C(=O)OC 1656406476 VAKPOXGIMIBZLH-NSHDSACASA-N 401.437 1.277 30 10 HDEE COC[C@]1(C(=O)OC)CCCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1659566472 BNDXRESZUSQPHO-NRFANRHFSA-N 411.462 1.727 30 10 HDEE CCOC(=O)c1ncn(C2CCN(S(=O)(=O)c3cc(C#N)ccc3C)CC2)c1N 1663791223 GRYBUGIDMFYDSK-UHFFFAOYSA-N 417.491 1.848 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)cn1 1664348717 FTVJWFVJDYDYOA-SREVYHEPSA-N 419.459 1.198 30 10 HDEE C#CCOCCN(C)S(=O)(=O)C[C@H]1CCCN(C(=O)OCc2ccccc2)C1 1666216936 FANVSVKKBKVOAW-IBGZPJMESA-N 408.520 1.947 30 10 HDEE CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1670759229 HDMJFBQQORXSJL-QGZVFWFLSA-N 420.535 1.637 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1672903705 YLZQUDIAIOGALJ-UXHICEINSA-N 419.547 1.925 30 10 HDEE CCOC(=O)C[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)CC(C)C 1674199005 DYBGAKDHSXVFPI-ZDUSSCGKSA-N 405.455 1.002 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@@H](C)C1 1689825979 GNEUEOPNUUUTGX-IKGGRYGDSA-N 424.615 1.857 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(CCC)CC1 1689851278 OFXFZCXCTBEHQQ-WMZOPIPTSA-N 407.584 1.760 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC[C@H]2CCOC2)CC1 1690148365 DYZOAHISNHPIHA-SFHVURJKSA-N 422.533 1.656 30 10 HDEE COCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@H](C)CC#N)cn1 1698070352 BXHRMEGAKMOOKQ-OAHLLOKOSA-N 423.481 1.555 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1C1OCCO1 1705500092 GELGKITZXKRICO-INIZCTEOSA-N 409.490 1.952 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1705563425 XLRVBUXKVBRJEG-KRWDZBQOSA-N 418.519 1.617 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccc(C)c(F)c1 1705579153 GYERSYHGUYEMQV-UHFFFAOYSA-N 419.464 1.629 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCC(=O)N1 1705626323 RCWFDMBWYAYQDJ-MRXNPFEDSA-N 406.490 1.801 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)CN2CCCCC2)CC1 1705639211 IXESUSHNLMFUIC-PMACEKPBSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCC=C)C1 1705662334 WHGMRFDYXNEUTH-HOTGVXAUSA-N 410.565 1.328 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCN(C)S(=O)(=O)CC 1705672268 RDIYIQJZVLKPHU-LJQANCHMSA-N 419.555 1.342 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1712876691 SQMHRONUJVSPMJ-MAUKXSAKSA-N 411.503 1.439 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(F)cc(F)c(F)c1F 1722350561 BYYRZDXVJKTYPH-SNVBAGLBSA-N 416.400 1.854 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 1722371408 WDYZOJXIURNCCI-IAGOWNOFSA-N 423.583 1.344 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@@H]3CCOC3)n2Cc2ccco2)n1 1722429936 VIFKJGNOCIDDEZ-QGZVFWFLSA-N 410.478 1.906 30 10 HDEE C=C(C)CN(CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)N(C)C 1722514917 HECYGTLABFXHQW-UHFFFAOYSA-N 409.560 1.434 30 10 HDEE C=CCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722622418 JIYULTGIFQQZIJ-LPHOPBHVSA-N 412.556 1.908 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1722640366 LZLBFTMXITYDJT-QGZVFWFLSA-N 422.507 1.474 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCc1cnn(C)n1 1726402218 BVUUTPVCMSMUNH-UHFFFAOYSA-N 409.473 1.685 30 10 HDEE CCO[C@]1(c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)CCOC1 1728780273 OWHRGRFCOJTVRZ-VBKZILBWSA-N 414.466 1.110 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cn4ccccc4n3)n2CCCOC(F)F)CCO1 1731186633 FOBBYLVPDKOJTO-OAHLLOKOSA-N 417.420 1.875 30 10 HDEE N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CCO[C@H]1c1ccncc1 1740335088 MWJQVAQHJSZMIL-RXYDEIHYSA-N 400.504 1.664 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCCN1CC)[C@H]1CCS(=O)(=O)C1 1740628507 YLGKYQPUHPUAHW-MSOLQXFVSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC(=O)NC1CCCCC1 1740639857 ZEOVUVAMWMDIJY-UHFFFAOYSA-N 422.489 1.528 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1CCCn1cnnn1 1740658403 AEAQTAABSZZTOM-UHFFFAOYSA-N 408.441 1.536 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(C)(=O)=O 1740667959 WLTKGNIOJSUGCT-UHFFFAOYSA-N 413.507 1.140 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1740686960 ZCVHXJZZYBYIME-UXHICEINSA-N 419.570 1.615 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CC2)CC1 1740692936 ROMAXQFAKYKQBI-UHFFFAOYSA-N 405.300 1.316 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2CCNC(=O)c2cccs2)CC1 1740697086 QUBNDMFZNRJQBR-UHFFFAOYSA-N 400.552 1.723 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCN(C(=O)c2ccccn2)CC1 1740797736 UJHHBLASQQXMJF-UHFFFAOYSA-N 414.510 1.765 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1740955224 ZCIKXXSCXDTFKN-UHFFFAOYSA-N 407.478 1.178 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCCC2=O)CC1 1740995203 DGGOKFDQDWRGTG-UHFFFAOYSA-N 420.583 1.927 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1741876961 HEAVZEARUXISES-AEFFLSMTSA-N 416.551 1.627 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCn1cnnn1 1747242079 UHLFUUHUPTYZOQ-MSOLQXFVSA-N 407.482 1.635 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1747456556 KMVUBQYDHPGPOY-WWTSWKCXSA-N 412.519 1.300 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCN(C)C 1748685374 YWAAJSQUYJFDBK-SFHVURJKSA-N 424.549 1.847 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccccc2OC)CC1 1748747310 GFDWJCOOSTWSAQ-LJQANCHMSA-N 422.533 1.973 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)CN(C2CC2)C1=O 1748799385 RHDLYDJDANPHTH-FQEVSTJZSA-N 412.519 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CC1CCN(C(C)=O)CC1 1748842624 PCRDJUVUTACHMZ-UHFFFAOYSA-N 422.489 1.337 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(O)CCN(C(C)C)CC1 1748940390 JMSDVUZPGWKWQG-OALUTQOASA-N 419.570 1.697 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1749021925 CMUVYELABCCJGI-WMLDXEAASA-N 415.585 1.260 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@@H]1C 1749445644 UMCFLJRITPENCC-KBPBESRZSA-N 403.574 1.423 30 10 HDEE C=CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCCNS(C)(=O)=O 1749499335 UUUGLQLRQSLYMU-UHFFFAOYSA-N 402.524 1.843 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1749660032 MMWDEKAOZGWGQD-QAPCUYQASA-N 415.494 1.496 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@H]2CCC(=O)N2)C1 1749696665 VRLBRBLCKWUURQ-NVXWUHKLSA-N 412.450 1.913 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2CCN2CCN(C(C)=O)CC2)C1 1749718464 VZMFSEIJIWLTNN-LJQANCHMSA-N 402.543 1.176 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@@H]1OCCC1(C)C 1749832234 AICUQGGZSOPYLS-INIZCTEOSA-N 404.515 1.582 30 10 HDEE C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)NC(=O)OC(C)(C)C 1750348143 VJEOLPUERQPOHL-NQCMUKECSA-N 421.477 1.584 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCc2ccsc2)cc1 1750384882 SVNICDIORNSHKW-UHFFFAOYSA-N 408.487 1.969 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1C[C@]1(O)CCOC1 1750977925 DQDITJLVAZHNAX-KGVIQGDOSA-N 424.505 1.311 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@H](C(N)=O)C2)s1 1751866401 FYPYSBLBFBRDTE-HNNXBMFYSA-N 408.491 1.531 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1Cn1cccn1)[C@@H]1CCS(=O)(=O)C1 1760180641 IRVNUMCHTIXUCW-HXUWFJFHSA-N 424.530 1.506 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1760189864 QNSMKWZXQJCHDT-UKRRQHHQSA-N 408.553 1.057 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCCN2CC)CC1 1760256466 HGACTYPMUDLLKD-WOJBJXKFSA-N 418.586 1.632 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)C[C@@H](C)C(=O)NC 1760312708 CIKIFZCNTHMTRE-ZACQAIPSSA-N 418.542 1.314 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1760378958 CZZSQDMBXBUBRL-HNAYVOBHSA-N 409.918 1.927 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1c1cnn(C)c1 1760465161 YFJYLYRZGQEGII-HZPDHXFCSA-N 419.555 1.205 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1760517814 YTWIGKKFKUNXRY-ZIAGYGMSSA-N 400.439 1.769 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760519279 YGHDFWUQBHWEFC-ZDUSSCGKSA-N 402.886 1.568 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)CCOC)cc1 1760530125 QANXJCMIZSKTCI-KRWDZBQOSA-N 420.535 1.876 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760565671 CDYGUDVPQMRIDA-ROUUACIJSA-N 407.584 1.860 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C1CC1 1762239471 GOMCIVJXMDVGJP-LJQANCHMSA-N 405.478 1.165 30 10 HDEE CCO[C@H]1CCCN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1766173865 DGXKVWXZCSANDI-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2C[C@H]1CO2 1766944937 LYCKBHLLEVFHEA-IRXDYDNUSA-N 416.507 1.076 30 10 HDEE COc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)cn1 1768679461 DDMCGXQLGSOLPT-MRXNPFEDSA-N 411.491 1.815 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CC[C@@H]1COCCO1 1771292317 IUAXVOONPCZGIX-KSZLIROESA-N 419.526 1.938 30 10 HDEE CS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(F)F)C1 1771369292 PDXWALHOSWDPTB-OAHLLOKOSA-N 424.477 1.847 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N(C)C3CN(c4nccnc4C#N)C3)CC2=O)cc1 1848632941 MBQANORGOAGYLQ-CQSZACIVSA-N 406.446 1.057 30 10 HDEE CC(C)N1C(=O)CS[C@H](C(=O)N2CCN(C)C(=O)C2)[C@H]1c1ccc(C#N)cc1 1848699340 YMWCNWLSPRKFHZ-MOPGFXCFSA-N 400.504 1.252 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)CC2)c1 1848880032 JWSWZBQEFHOMLX-UHFFFAOYSA-N 410.455 1.052 30 10 HDEE N#Cc1cnc(C(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)c(Cl)c1 1851242968 CJCXAQFHTFKICC-UHFFFAOYSA-N 401.829 1.824 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@H]3CC(=O)N(C4CCCC4)C3)c(C#N)cc2C#N)CC1 1851470734 UDSOLVNWTMOWOZ-KRWDZBQOSA-N 421.505 1.306 30 10 HDEE N#CCC(=O)O[C@H](CN1CCCC1=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1 1852208215 WEQSDGAIXHYZEB-CYBMUJFWSA-N 418.393 1.927 30 10 HDEE Cc1nc(C(=O)Nc2n[nH]c(N3CCN(C)CC3)n2)c(C#N)c(C)c1Br 1852403643 JVERSOBWSOUABS-UHFFFAOYSA-N 419.287 1.455 30 10 HDEE CC(C)C(=NOCCCN1CCOCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853553171 XPWHXQUCZFOBTC-UHFFFAOYSA-N 424.523 1.168 30 10 HDEE N#Cc1cc(C(=O)O[C@H]2CON(S(=O)(=O)Cc3cc(F)cc(F)c3)C2)ccn1 1853667322 YFJSPSCVLVOKPW-MRXNPFEDSA-N 409.370 1.534 30 10 HDEE N#CC1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(O[C@@H]4CCOC4)nc3)C2)CC1 1853680644 LLLRWAHOXJIIHU-IEBWSBKVSA-N 412.490 1.864 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)[C@@H]4CC=CCC4)C3=O)CC2)CC1 1853743571 OUWHBXZBSXLNSC-UYAOXDASSA-N 412.534 1.944 30 10 HDEE N#Cc1cc(C(=O)N2CCN([C@H]3CCN(Cc4ccc(F)cc4)C3)CC2=O)ccn1 1854244149 LFWKLXWUIPCEDI-FQEVSTJZSA-N 407.449 1.651 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@H]1CCN(C2CC2)C1=O 1854254977 FUDMMWWHUJWANW-ACJLOTCBSA-N 414.893 1.842 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CCN(C(=O)C4CC4)CC3)C2=O)cc1C#N 1854838824 WHMXMGWADAQLQJ-HXUWFJFHSA-N 408.502 1.942 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCO3)C2=O)CC1 1854862993 AGKJGHMKWJARFR-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1F 1854957030 UYIXBFGAMMKIHQ-DOTOQJQBSA-N 402.470 1.885 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC[C@H](N3CCC(C#N)CC3)C2=O)C1 1855599717 FGRQCLGPKNBWAX-KRWDZBQOSA-N 404.511 1.997 30 10 HDEE Cc1cccc(O[C@@H](C)C(=O)N2C(=O)CN(S(=O)(=O)CC#N)c3ccccc32)c1 1855976963 QDHBOLLNWIXCHO-HNNXBMFYSA-N 413.455 1.996 30 10 HDEE C[C@@H]1C(=O)N(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)CCN1CCC#N 1856189334 MAGLJCRSJSOAEY-GFCCVEGCSA-N 401.467 1.845 30 10 HDEE CN1C[C@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2(C)C)CC1=O 1856347740 QCMAILVIRICUBQ-OAHLLOKOSA-N 416.909 1.947 30 10 HDEE CCOc1ccc(N2C[C@@H](C(=O)N3CCN([C@@H](C)CCC#N)CC3=O)CC2=O)cc1 1856403835 CIWKTNBTMBCXAY-IRXDYDNUSA-N 412.490 1.801 30 10 HDEE Cn1ccc(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C3(CCCC3)C2=O)n1 1856589195 HEJPEPHWFIGFKM-UHFFFAOYSA-N 405.458 1.772 30 10 HDEE CCn1ccnc1CN1CC[C@@H](N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)C1 1856838871 UTDGVEXGDXKRRT-LJQANCHMSA-N 406.490 1.334 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)O[C@@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1856900035 ZUMDUEJUXFCCPK-DLBZAZTESA-N 407.492 1.669 30 10 HDEE Cc1ccc(C)c(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857039558 WELBZZMOQBDRAU-IBGZPJMESA-N 417.531 1.786 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)N=c2cc(C)o[nH]2)c(C(=O)OCC)c1C 1860749015 SWKNYTPFDAKYOR-UHFFFAOYSA-N 421.431 1.872 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(O)c([N+](=O)[O-])c2)c1 1862563934 OMPNSMDBOJCMAB-KRWDZBQOSA-N 413.386 1.843 30 10 HDEE CCCNC(=O)CSc1nnc(COC)n1/N=C/c1ccc(OC)cc1OC 1874498710 CRABYQZOCGMTRS-KEBDBYFISA-N 407.496 1.942 30 10 HDEE CCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)nn1 1890093476 VZISFAXTNMNRQV-UHFFFAOYSA-N 415.538 1.137 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)NCCOc3ccccc3)CC2)CC1 1890306504 RZONNGNULYKPOR-UHFFFAOYSA-N 414.550 1.507 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CCC(N(C)c3ncc(F)cn3)CC2)cs1 1890484014 WENQCMNZBMVDJQ-UHFFFAOYSA-N 404.471 1.729 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)C1 1891290468 ABYYRGQETRICSO-INIZCTEOSA-N 405.414 1.685 30 10 HDEE COc1ccc(N2C[C@H](NS(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1OC 1891354705 UECSISGFZZVWQI-CQSZACIVSA-N 401.444 1.659 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(N)c2F)[C@H](C#N)C1 2162921304 NOESMMXBGJVPJO-SNVBAGLBSA-N 402.423 1.681 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174779323 HWJUBYRIYDEEOG-GJZGRUSLSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)OCC1(C)C 2174787057 PXOXPUSMTPPZIO-KBPBESRZSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(CNS(=O)(=O)c3ccc(C#N)s3)(CO1)C2 2174788392 DZIQTBHLZNZMSX-UHFFFAOYSA-N 413.521 1.972 30 10 HDEE C#CCN(C(=O)C[C@@H](CNC(=O)OC(C)(C)C)C(F)F)[C@@H]1CCS(=O)(=O)C1 2180113504 QRTGABOHLYZNIC-QWHCGFSZSA-N 408.467 1.431 30 10 HDEE C[C@H](NS(=O)(=O)C[C@H]1CCCO1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625949 DROZNRFYDFCJIK-NWDGAFQWSA-N 402.347 1.602 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197740435 RYLTUXLCURBRIY-UONOGXRCSA-N 404.529 1.242 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC(F)(F)C[C@@H]2CC#N)C1 2234013400 CTYVIKBEUQTKJH-NWDGAFQWSA-N 407.439 1.170 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N1CCN([C@H]2CC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 2234453415 PNNJOQHDEKCOJY-OWCLPIDISA-N 400.545 1.682 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1c(N)cc(Br)cc1Br 2237187392 PXQHNMRVOCPOGU-SECBINFHSA-N 424.114 1.817 30 10 HDEE COCCN(C(=O)C#CB1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2243379706 NXBNABBGJUNSHQ-UHFFFAOYSA-N 408.304 1.716 30 10 HDEE C[C@@H]1SCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267703161 RNQJIICSADCGKL-WDEREUQCSA-N 404.388 1.756 30 10 HDEE CCNCCN(CC)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282300571 IBSCWQOZLVYJNO-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CN[C@H](C)C1 2282322406 LRPKXLGPUNBYFD-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CCCN2)c1B1OC(C)(C)C(C)(C)O1 2282495062 GYTOQFYFJFYOHM-CYBMUJFWSA-N 400.375 1.694 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2COC[C@H]2F)c1B1OC(C)(C)C(C)(C)O1 2282497422 PMIMJHLOOIUCIG-NEPJUHHUSA-N 405.322 1.679 30 10 HDEE CC[S@@](C)(=O)=NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC 2282497526 RAMBYMTXJIDRLP-RUZDIDTESA-N 403.331 1.801 30 10 HDEE C[C@H]1C[C@H](N(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505652 HEQMKBIKHVYDPF-JSGCOSHPSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@@H](O)C2)OC1(C)C 2282829781 KGXZUBYGHRADIF-GFCCVEGCSA-N 402.347 1.119 30 10 HDEE CC1(C)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282842135 TXQRHEKNOWQFNR-CYBMUJFWSA-N 400.375 1.546 30 10 HDEE CN(C1CCC(O)CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850214 MBVFIBSAGGVPSR-UHFFFAOYSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H](CO)CC(F)F)OC1(C)C 2282877185 NXZDLHROLWKMLY-LLVKDONJSA-N 411.301 1.483 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(C)COCCO2)OC1(C)C 2282884464 OJABARPQPOOHRP-INIZCTEOSA-N 403.331 1.131 30 10 HDEE C[C@H]1C[C@@H](C(=O)O)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284398284 WFZBPDQQDIHSRV-JQWIXIFHSA-N 401.315 1.425 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](CCF)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284406027 SQSZYFRTDBMVJC-SNVBAGLBSA-N 407.294 1.447 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@H]3C(=O)O)ccc2Cl)OC1(C)C 2284413021 FYUZHXRXFDFOTH-ZDUSSCGKSA-N 401.677 1.487 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365240417 FLAWPBVDARMFLL-KBPBESRZSA-N 403.497 1.540 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@@H](C)CNC(=O)OC(C)(C)C 2367809601 OUULHAFULHMQIV-XHSDSOJGSA-N 402.557 1.457 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 2367810198 UZSZVSUQPFZDLN-DNVCBOLYSA-N 400.541 1.307 30 10 HDEE CSCC1(NC(=O)OC(C)(C)C)CC(O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367812245 QWXBADBPNMRDJA-IMUUDWKMSA-N 418.581 1.046 30 10 HDEE CN([C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F)S(=O)(=O)CC1(C#N)CCOCC1 2369657391 SLDUFHINTYJBGS-UONOGXRCSA-N 405.492 1.526 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN2S(C)(=O)=O)sc2cc(OCC)ccc21 44360721 LRKGZNLWIXJYOL-AMGRQBIBSA-N 407.517 1.586 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)N2CCC[C@@H](C)C2)n[nH]1 59888402 CAXLXCZHQWXFJG-DKSCHZSNSA-N 420.543 1.407 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 108619995 PZRATTOKVAIDFK-QGZVFWFLSA-N 405.524 1.196 30 10 HDEE C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)C(=O)O 140578615 HJQXVITYEPBWQP-LODYHXIVSA-N 406.450 1.988 30 10 HDEE C#CCCN1C(=O)[C@@H]2[C@H](c3ccc(-c4ccccc4)cc3)N[C@](CO)(C(=O)O)[C@@H]2C1=O 248234178 LYYMSTMSGFTWJD-XHOYROJHSA-N 418.449 1.438 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)N1CCN(c2cccc(F)c2C#N)CC1 410205136 GVTQSMROECCRCR-RHSMWYFYSA-N 423.514 1.247 30 10 HDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 432045700 FQJRRWHFFZTOEY-UHFFFAOYSA-N 419.513 1.771 30 10 HDEE COC(=O)[C@]1(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCSC1 433884239 UDIYNMVOGOEDAA-ZDUSSCGKSA-N 405.295 1.648 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 437986481 MRMXSKFAZHMREF-QFBILLFUSA-N 422.551 1.408 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(F)c(F)cc2Br)CC1 441478998 YGPNTDPKEKNFTI-UHFFFAOYSA-N 402.239 1.787 30 10 HDEE Cc1cc(Br)cc(C)c1CNC(=O)C(=O)Nc1ccn(CCC#N)n1 444510697 OXARBFBRJMSRAI-UHFFFAOYSA-N 404.268 2.431 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)NC2CCN(c3ccccc3)CC2)CC1 479746591 PMFFNMPDUSEAFK-UHFFFAOYSA-N 417.513 1.992 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)C2 483076132 IXYUWNLFEDXVGT-FXAWDEMLSA-N 424.419 1.685 30 10 HDEE C=CCN(CCOC)C(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@@H]2CCCO2)cc1 484613914 HGGBCAMTZRARCO-INIZCTEOSA-N 410.492 1.239 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@]23CCC(=O)N2c2ccccc2S3)CC1 492319761 IBSLXSLRALQFEX-FQEVSTJZSA-N 400.504 1.062 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)NCCC3CCS(=O)(=O)CC3)CC2)cc1 509141740 UBMXCSJVFATEEH-UHFFFAOYSA-N 418.563 1.990 30 10 HDEE CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)c2cc(C#N)c(SC)nc2O)C1 523200638 IJYMJRLLTYLKTQ-LBPRGKRZSA-N 420.491 1.254 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCN(C(=O)N2CCC[C@H](C(=O)O)C2)CC1 547894292 QFUYRJBOEMMORM-INIZCTEOSA-N 420.491 1.090 30 10 HDEE CC[C@@H](c1nnc(Sc2nc(C)cc(C#N)n2)n1CCN1CCOCC1)N(C)C 552904981 GJKMTCFNBZJVES-INIZCTEOSA-N 416.555 1.744 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)N3CCc4ccc(C#N)cc43)nn2)cc1 555771671 AHVHJCWLTJMACS-UHFFFAOYSA-N 402.414 1.353 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C)c2=O)cc1[N+](=O)[O-] 557362399 FVZFVZCFSJXQGK-UHFFFAOYSA-N 415.471 1.872 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c(F)c1 561547346 PTCYUXWKATWWCX-LSDHHAIUSA-N 415.446 1.895 30 10 HDEE COc1ccc(CNC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1S(N)(=O)=O 584692727 MSHXYVVWCNEMAJ-UHFFFAOYSA-N 403.435 1.701 30 10 HDEE CS(=O)(=O)N[C@@H]1CCN(C(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)C1 609743945 SWHDHTUSKYNGEF-OAHLLOKOSA-N 401.448 1.901 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)NCc3ccc(C#N)cc3F)cn2)C[C@H](C)O1 610478772 JBJWXBXNCNLTNP-KBPBESRZSA-N 414.441 1.851 30 10 HDEE C=CCn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 669804619 JNDKQWZKZICQSQ-MRXNPFEDSA-N 406.531 1.914 30 10 HDEE CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732464870 BRFHCQCYOTYWEY-YKHTYXQRSA-N 405.499 1.239 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(C(N)=O)s1 732616896 YLNJFWKUIBAIDM-HNNXBMFYSA-N 407.473 1.627 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@H](C#N)c2ccccc2Br)c(=O)n(C)c1=O 733266908 PPXQVNNJZQJKHJ-WBTMPAOCSA-N 403.236 1.241 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1 748053039 HWHGQMJUGWFVPG-LBPRGKRZSA-N 404.897 1.109 30 10 HDEE Cc1cc(C#N)ccc1C(=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 748415696 ICLDLDFFPRXTKN-IRXDYDNUSA-N 420.487 1.218 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)c(Br)o1 760573867 ZQGHXLPXZFTFCF-SNVBAGLBSA-N 418.269 1.190 30 10 HDEE C[C@H](CC(=O)Nc1cn(C)nc1-c1ccccn1)/N=C1/NS(=O)(=O)c2ccccc21 762556922 WHDKURDREJURJQ-CYBMUJFWSA-N 424.486 1.938 30 10 HDEE CC(=NNc1ccc(C(=O)O)cn1)c1ccc(S(=O)(=O)NCCCN(C)C)cc1 763369101 UGPMXOGCEPVMTJ-UHFFFAOYSA-N 419.507 1.846 30 10 HDEE COc1cc(C#N)cc(Br)c1OC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O 769722141 QVSZAYLKIWVGDZ-QGZVFWFLSA-N 422.235 1.955 30 10 HDEE CC(C)(C)OC(=O)NCc1ccc(C(N)=NOCC(=O)NC2CCOCC2)cc1 769843299 YRLJVLYKRPVLGY-UHFFFAOYSA-N 406.483 1.643 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C)c1cc[nH]n1 772343434 OXNZWEHTWNEQGC-XEKQOVJPSA-N 400.435 1.763 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(O)(c2c(F)cccc2F)CC1 779569432 CTXVMDCFRULMFV-ISLYRVAYSA-N 420.416 1.484 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc2c(c1)C(=O)N(C)C2=O 785962331 LVONJMZBVZTBOV-NSHDSACASA-N 413.411 1.056 30 10 HDEE N#C[C@@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 786437869 SQQZHWIGNXLJKD-JCKYIPBCSA-N 406.483 1.069 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2c(=O)oc3cc([N+](=O)[O-])ccc32)n1 791017261 CLKRXHAOWNHKOP-UHFFFAOYSA-N 413.390 1.008 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cc2c(cc1F)NC(=O)CC2 793330998 JXLXHXLWRRVGSN-LLVKDONJSA-N 417.418 1.854 30 10 HDEE Cc1ccc(N2CCCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 810180588 CNGSXNVDCWZMES-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)nc1 858059312 LZOBZHLUXAFFCZ-NVXWUHKLSA-N 414.487 1.608 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)nc1 858065997 VUGRBLLJBGNCIF-AWEZNQCLSA-N 400.460 1.108 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)NC2CCCC2)n[nH]1 1084557533 MOLGHCQRAFPSFI-UHFFFAOYSA-N 406.516 1.207 30 10 HDEE COc1ccc(Cl)cc1N/C(=N/[C@H]1CCCC[C@@H]1N)N1CCN(CCO)CC1 1088663270 GHSYLOYDDLUEAH-IRXDYDNUSA-N 409.962 1.996 30 10 HDEE Cn1nc(Br)c2c(=O)n(CC(=O)NCc3ccc(C#N)s3)cnc21 1129865335 QJKZDGDKKVEHSV-UHFFFAOYSA-N 407.253 1.142 30 10 HDEE COC(=O)c1sc2c(c1Br)CN(C(=O)[C@@H](C)n1cnc(C#N)n1)C2 1131770430 LBBVPDVXTVONPA-SSDOTTSWSA-N 410.253 1.864 30 10 HDEE C#CCC1(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1 1134194201 QSYSWAJJKHXXKS-UHFFFAOYSA-N 418.515 1.921 30 10 HDEE C#CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136355417 VGQNDMGSBCFGOD-GJZGRUSLSA-N 400.541 1.965 30 10 HDEE C=CCC[C@H](NC(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1)C(=O)OCC 1140929615 KZQQKTTYPQTEJK-JSGCOSHPSA-N 400.522 1.602 30 10 HDEE COc1ccc(CN(C(=O)c2nc(O)c(C#N)cc2C)[C@@H]2CCS(=O)(=O)C2)cc1 1144408914 MHMYKDHHICMYEF-MRXNPFEDSA-N 415.471 1.805 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)C1 1153859237 MSKBIHBMXWPGRN-YRVVQQKDSA-N 409.483 1.753 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)Nc3cnc(OC)c(C#N)c3)CC2)cc1 1154577683 SPOVNBXYUNWRDG-BQYQJAHWSA-N 421.457 1.814 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCn1c(=O)ccn(C)c1=O 1156680085 RYRIYPMVYVZYNN-CYBMUJFWSA-N 414.890 1.089 30 10 HDEE COCC1(C2CCC2)CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1165645902 ZDEFLYBFCXGKCL-AWEZNQCLSA-N 405.520 1.779 30 10 HDEE C=CCOCCNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1167758527 VRYSCAPXAQZEAF-AWEZNQCLSA-N 402.538 1.606 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(CC#CCN3C(=O)c4ccccc4C3=O)C2)n1 1174690958 NPTSYEKQCZGAKQ-QFIPXVFZSA-N 408.458 1.301 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H](NC(=O)c3ccccc3)C2)CC1 1191192991 JFSCRSABWDMTDE-NHCUHLMSSA-N 411.550 1.573 30 10 HDEE C#C[C@H](NC(=O)Nc1ncn(CC(=O)N(C)C)n1)c1ccc(Br)cc1 1200434976 BEUYHAWXNMXOKH-ZDUSSCGKSA-N 405.256 1.625 30 10 HDEE C=CCN(C(=O)Nc1ccn([C@H](CCC)C(=O)OCC)n1)[C@@H]1CCS(=O)(=O)C1 1207457947 TWESVXSEFLEWCD-HUUCEWRRSA-N 412.512 1.994 30 10 HDEE C#C[C@@H](NS(=O)(=O)Cc1cc2c(cc1Br)OCO2)[C@@H]1CCCO1 1211582332 GGRWHMQLHGUMPT-OLZOCXBDSA-N 402.266 1.778 30 10 HDEE C#CC1CCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 1214594539 HKZUPYYEABDGHH-UHFFFAOYSA-N 407.492 1.593 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CC(OCC)C1 1286367866 RSMCEJKRVAIGHQ-UHFFFAOYSA-N 400.479 1.962 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C2CC2)N(C)C)CC1 1286493847 GWCJZILVCDPIHY-RBUKOAKNSA-N 414.554 1.436 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1286505935 ODZAIEVSHJYNRP-CVEARBPZSA-N 421.592 1.888 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1286613738 FEBTVHZMHWWEQA-NHCUHLMSSA-N 419.526 1.239 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C(C)C)C1 1286785786 IRMRFWICITYNQQ-AWEZNQCLSA-N 400.483 1.790 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C(=O)OC 1287782422 UREYVAJLFQMUTL-QZTJIDSGSA-N 408.520 1.852 30 10 HDEE N#Cc1ccc(NC(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(I)c1 1288997930 XYQUAFOYZVYDSP-UHFFFAOYSA-N 424.154 1.871 30 10 HDEE N#C[C@@]12CN(C(=O)c3ccc(I)cc3)C[C@H]1CS(=O)(=O)C2 1289200969 DHUQLJSXTGVZHK-FZMZJTMJSA-N 416.240 1.302 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C)C1 1289511218 DPMHLENWHILQJY-YZVOILCLSA-N 413.540 1.857 30 10 HDEE Cn1c(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)nnc1-c1ccccc1 1296165719 BTHPLMGISKQQTL-HOTGVXAUSA-N 410.478 1.900 30 10 HDEE COCCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1296941391 ZLYXSJLVJFGCDV-QRIFCXAISA-N 400.479 1.510 30 10 HDEE C=CCC[C@@H](NC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C(=O)OCC 1298021621 TXUIAPWHGSEZRZ-OAHLLOKOSA-N 407.492 1.595 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@H](c2ccncc2)C1)c1cc[nH]n1 1300246205 JYUOPICHJJVUCD-ZBFHGGJFSA-N 401.423 1.125 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(S(=O)(=O)NC)c1 1300313127 BLYCXOCHNCPHLN-INIZCTEOSA-N 424.530 1.678 30 10 HDEE C#CCN(CC#CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCOC 1300591062 KRIHQEZDMNOONA-UHFFFAOYSA-N 420.561 1.752 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300886362 XHKYQWBFJVAOCP-MUDKKEKZSA-N 420.510 1.123 30 10 HDEE COCC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1300890769 OPICHBMJPHXBCJ-KRWDZBQOSA-N 414.466 1.328 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC(N2CCNC2=O)CC1 1300973044 VBTLVLZKIVRPJD-UHFFFAOYSA-N 419.530 1.003 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1301259880 SJPPHXYMGSCAPH-KRWDZBQOSA-N 405.543 1.996 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCS(=O)(=O)C1)C1CC1 1301312461 CJJOXHYXQJMAAB-HNNXBMFYSA-N 407.540 1.494 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(c2ccccc2)CC1 1301496841 IHWLREOZPFOMAF-UHFFFAOYSA-N 420.521 1.698 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1301514418 JLBSTOGUTQCOFE-MRXNPFEDSA-N 413.478 1.467 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(C[C@H]2CCCO2)CC1 1301568036 BYTYPJYRBMTFQK-QGZVFWFLSA-N 411.572 1.303 30 10 HDEE Cc1nnc(CCCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)s1 1304777650 XJDXAEBUZODFMG-UHFFFAOYSA-N 408.491 1.546 30 10 HDEE Cc1nnc(N2CCC(OC(C)(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304827938 YICZCQVCQCZJPU-ZCXUNETKSA-N 402.499 1.897 30 10 HDEE CC/C=C/Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)CC1 1306464367 IQQIFIQEXAQCFH-SNAWJCMRSA-N 400.508 1.865 30 10 HDEE CN(C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)[C@H]1CCN(S(C)(=O)=O)C1 1310640887 DFQGHVZTTZADLM-LBPRGKRZSA-N 406.386 1.954 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(O)CCCCC2)CCOC1 1314135803 AQLKQWGMAONYGL-OXQOHEQNSA-N 405.499 1.354 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCCCN2CCC[C@H]2CO)CCO1 1316538148 HPBYBZBMULYCRZ-OTWHNJEPSA-N 418.542 1.485 30 10 HDEE COC(=O)[C@H](Sc1nnc([C@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1329708323 CFTJDBQNJJKYDS-UONOGXRCSA-N 406.489 1.595 30 10 HDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1358916821 YGBOCFYMQNTPNG-SFHVURJKSA-N 419.489 1.746 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(C)C1CCCCC1 1358938717 IEWAJHOEPVPBRO-INIZCTEOSA-N 410.588 1.612 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(c2ccccc2F)C1 1358977387 LEUUOQJSEFXRDO-MJGOQNOKSA-N 420.492 1.968 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2sc(C)nc2C)CC1 1359029913 KJJKLQJFYUNLTH-INIZCTEOSA-N 418.567 1.879 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1359034439 QTWIEVNMEKXLSQ-GOSISDBHSA-N 407.522 1.318 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359157513 LRYLDPBQPKCLGH-KKUMJFAQSA-N 418.947 1.768 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc3nncn3n2)CC1 1359207536 NOGQHGKHAAOXBC-UHFFFAOYSA-N 424.513 1.147 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359226754 LXSKEFHISZCGAS-SFHVURJKSA-N 403.527 1.823 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1359258630 WZZWQMUWZLIHFZ-UHFFFAOYSA-N 421.505 1.730 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCOCC2(CC2)C1 1359330892 GQOHEETXVDZHTG-UHFFFAOYSA-N 417.535 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1359331897 KCYQYOCGCPJLNO-INIZCTEOSA-N 423.583 1.745 30 10 HDEE C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1449321754 GGGCBESZHMJPQV-IEBWSBKVSA-N 405.539 1.959 30 10 HDEE Cc1ccc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)cc1S(=O)(=O)NCC#N 1449452467 IKFDUIHSXPFCQH-SFHVURJKSA-N 414.443 1.274 30 10 HDEE CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)N1CC[C@](O)(CC#N)C1)C2=O 1452252198 UATGGHDZDCXWCR-VZDHWGDASA-N 404.511 1.780 30 10 HDEE N#Cc1cccc2c1CN(C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)C2 1452695203 PAMGZZZVYNJNAH-UHFFFAOYSA-N 400.416 1.677 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)NCC#C[C@@H]3CCCCO3)CC2=O)cc1OC 1457030425 NSIYQBNLZWVTFJ-OALUTQOASA-N 414.502 1.784 30 10 HDEE CN(C)S(=O)(=O)N1CC(NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)C1 1461956109 QFUCUHVQNDGCFQ-UHFFFAOYSA-N 414.487 1.358 30 10 HDEE N#CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1464759994 CAWXXLWEVYELBD-YLJYHZDGSA-N 411.433 1.549 30 10 HDEE C#CCNC(=O)CN1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)CC1 1473502684 UVATXQOBXYVGKV-KRWDZBQOSA-N 419.323 1.069 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOC2=O)n1 1492734172 DBEVSDRGYIHZKI-AWEZNQCLSA-N 400.487 1.578 30 10 HDEE CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1503256661 JUPRRLPZTAYTQA-GFCCVEGCSA-N 408.484 1.179 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@](C)(O)C(C)C 1504993110 DQVGHQPGTWVLMW-BLIXFSHQSA-N 420.558 1.586 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1507539042 QNBLIUVBONLSEL-HRCADAONSA-N 416.503 1.478 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1507591105 JCRGWBFPYZXJRW-QGZVFWFLSA-N 416.526 1.106 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1cccs1)N(C)C 1507617262 RLCJHACCBKITHN-LSDHHAIUSA-N 407.565 1.614 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCCN2CC)CC1 1507715828 IPYLYTXCWCIBIN-SFHVURJKSA-N 401.559 1.046 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507853092 CCICGOMOMYJCMQ-GFCCVEGCSA-N 403.830 1.319 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3F)n2CCS(C)(=O)=O)C1 1508127330 MGXOETAXJSPDCH-MRXNPFEDSA-N 408.499 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H](C)O[C@]3(CCOC3)C2)nnc1C(C)(C)C 1508150079 ZIQACFYLFXRKFO-DNVCBOLYSA-N 412.556 1.561 30 10 HDEE CCC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1514097986 HGMWOCWIRCNWJP-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1514813937 CTEHFVQLXWFQOZ-MRXNPFEDSA-N 415.523 1.183 30 10 HDEE CCn1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)c1=O 1515787041 BHCJSWUOJKWRBS-GOEBONIOSA-N 418.523 1.006 30 10 HDEE CO[C@]1(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1517943517 ARQPMTYXZBAIIO-QFIPXVFZSA-N 424.505 1.714 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1518631235 DDRUKBYVZFXWIW-CBGDNZLLSA-N 416.526 1.696 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2cccnn2)CC1 1527555635 LPWZLFDJYISLMK-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O 1534519681 LZQGLFVJVIGKQA-JKSUJKDBSA-N 408.499 1.470 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1539031669 MYBMRQLMLQBSBX-ZDUSSCGKSA-N 411.915 1.518 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc2ccccc2[nH]1 1539148482 LFGJYDQZZXOYBV-CQSZACIVSA-N 415.523 1.467 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1539153523 FIVQHGHCYHUJJD-UEXGIBASSA-N 405.543 1.499 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C)n(C)c2=O)CC1 1539443913 AUHWKODPVOURJI-UHFFFAOYSA-N 403.490 1.151 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(OC)cc2OC)CC1 1539462624 JYWPBALAMNNDIC-UHFFFAOYSA-N 413.522 1.830 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCOCCS(C)(=O)=O 1539551827 ASJUUKVBSKORCM-HXUWFJFHSA-N 417.535 1.702 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ncccc1N(C)C 1539649986 HRQALKLTHFDWQP-HNNXBMFYSA-N 421.571 1.800 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1539752719 XFFBUDURYWPXIS-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NC(C)(C)C)CC1 1539827794 ABXHELMLUCLJLQ-AWEZNQCLSA-N 412.560 1.350 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(CC(=O)N(C)C)CC1 1540013113 KYRYVDXYKXUMNM-UHFFFAOYSA-N 414.558 1.316 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1540871989 ZEOLSDZJAOKEGF-MRXNPFEDSA-N 402.543 1.760 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)nn1 1542757336 AKWQTJNLAABTOB-INIZCTEOSA-N 405.462 1.431 30 10 HDEE CNC(=O)COc1cc(C(=O)OC)ccc1NC(=O)c1ccc(C#N)c(Cl)n1 1544091945 DRCODMWXUDIEKJ-UHFFFAOYSA-N 402.794 1.770 30 10 HDEE CCCC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1546933039 ABHDJWGOVUOXNY-JKSUJKDBSA-N 424.571 1.787 30 10 HDEE CN(C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1)C1CCCCC1 1552646543 FFKJJDCRWUXDHL-DLBZAZTESA-N 402.499 1.649 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCc3ccc(C#N)s3)CC2)cc1 1557083254 RZGVDAVTZDHALX-UHFFFAOYSA-N 418.544 1.551 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1557894968 HHFSDAVICPPIGU-LBPRGKRZSA-N 421.454 1.306 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H]4CCC[C@]4(CO)C3)CC2)cc1 1557929857 ZMZKTNPBJAJVMI-GHTZIAJQSA-N 417.531 1.580 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC)c2=O)C1 1559939705 XHMJJEACQBSJKA-QGZVFWFLSA-N 408.502 1.578 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]([C@H]2CCCO2)C1 1560165795 WAVZHMUALDQZDI-BHIYHBOVSA-N 406.504 1.765 30 10 HDEE C#CCn1cc(CNC(=O)c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])cc2O)cn1 1568548460 HRZKXQVGJDEYQA-UHFFFAOYSA-N 400.782 1.899 30 10 HDEE Cc1cc(C#N)cc(N(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)C2CC2)n1 1587011170 GXBFUZKGCQBAQN-UHFFFAOYSA-N 416.459 1.685 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c1 1587146272 IHNSLGKHJGBFAV-KBXCAEBGSA-N 414.487 1.141 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1587798165 FBWHDSQNCKXUPF-QZTJIDSGSA-N 400.527 1.084 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2N2CCC(O)CC2)cc1 1588018489 WPDGXMYHAWOZPD-VQTJNVASSA-N 419.547 1.872 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@]1(O)CCO[C@@H]1C 1588114020 YVWLHSOEZQAARF-OPAMFIHVSA-N 408.458 1.329 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1588154720 HSUHNUGQHVNBBR-RBUKOAKNSA-N 403.486 1.963 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1COCCO1 1595191484 SRMQKIRZVJVOOG-LJQANCHMSA-N 422.493 1.905 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](Oc2ccccn2)C1 1595544417 HVDLOUJWDONOBR-IRXDYDNUSA-N 412.494 1.875 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cn4ccccc4n3)n2CCC(=O)NC)C1 1595738724 UHALPSLDGAHIDK-KRWDZBQOSA-N 409.494 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCS[C@H](C(C)C)C1 1595798593 QXSFVAYKJAPGGS-HOTGVXAUSA-N 414.597 1.961 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1C1CCC1 1595824174 XWORKCCCSXRPNJ-KRWDZBQOSA-N 421.567 1.770 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1595838506 VGYGFKXUMSGACW-CQSZACIVSA-N 413.569 1.057 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(Cc3ccccn3)n2CC2(C(N)=O)CCOCC2)C1 1611768712 BBEXDODFOONNOB-NRFANRHFSA-N 423.521 1.676 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1611774496 FGKLOICNNOJBMD-UONOGXRCSA-N 401.471 1.248 30 10 HDEE C=CCN(C(=O)CCn1cnc2c(N)ncnc21)[C@H](Cc1ccccc1)C(=O)OCC 1616305187 DZEPRLLIXHRCLP-QGZVFWFLSA-N 422.489 1.988 30 10 HDEE Cn1cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCCCO)c2ccccc21 1618399597 DWWOJOJPPPGLAM-MRXNPFEDSA-N 410.478 1.565 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(C)(C)C(=O)NC 1618736051 BAJHHQNTCOQNIQ-UHFFFAOYSA-N 411.510 1.551 30 10 HDEE CNC(=O)CCCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1618751321 FZARGYKKUOTJQH-UHFFFAOYSA-N 400.483 1.462 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CCCN1CCCO 1620127140 LRLGHJNRFRNNAM-KRWDZBQOSA-N 400.483 1.573 30 10 HDEE C#CCNC(=O)C1CCN(Cc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)CC1 1621280603 CUIUHXMJBHLNIS-UHFFFAOYSA-N 402.495 1.970 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 1625394371 HAWZZKGPAQXMRN-DJIMGWMZSA-N 416.499 1.932 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccnc3c2CC(=O)N3)cc1 1626004608 TYSBBOCIYVLCJT-XQNSMLJCSA-N 413.459 1.641 30 10 HDEE COC(=O)[C@H](CCF)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1628379366 LEPNVBVKSRRWKL-KBPBESRZSA-N 413.471 1.157 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc(S(N)(=O)=O)c1C)C1CSC1 1632571965 VYZSJIKLVKFDSJ-UHFFFAOYSA-N 403.323 1.596 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OCC)n[nH]2)c1C 1635351726 BEVPWSRRZJRXFD-STQMWFEESA-N 416.482 1.262 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(CC(=O)OC)C2CCCC2)s1 1635986674 APISSZHVJFYFSN-UHFFFAOYSA-N 400.522 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(C(N)=O)c2OC)s1 1637218147 NWVOQGBEYOIJQX-UHFFFAOYSA-N 409.489 1.501 30 10 HDEE COc1cc(Br)ccc1[C@@H](C)NC(=O)CCn1cc(C#N)c(O)nc1=O 1638674886 LTANZDDVKVEUSV-SNVBAGLBSA-N 421.251 1.859 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCOCCOC)CC1 1640511565 LETKUOADTAWVLV-MRXNPFEDSA-N 419.950 1.830 30 10 HDEE Cc1ccccc1CN1CCN(C(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)CC1 1641346624 AUMNNTQJBQZZFZ-UHFFFAOYSA-N 421.501 1.178 30 10 HDEE C#CC[C@]1(C(=O)NCC(C)(C)CS(N)(=O)=O)CCCN1C(=O)OC(C)(C)C 1642796006 ZEDUHSMJVKBQOR-GOSISDBHSA-N 401.529 1.210 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC1 1646096527 WWUUGUXXBOXNAT-QGZVFWFLSA-N 405.524 1.418 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(c3cc(C(=O)OC)n[nH]3)C2)ccc1F 1648524586 YKAFIWOHXGDMGL-UHFFFAOYSA-N 422.438 1.039 30 10 HDEE CN1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 1648939842 BIDDLDLIBJOXFY-VQTJNVASSA-N 410.497 1.815 30 10 HDEE C=CCN1CC[C@@H](N2C(=O)N[C@@H](c3cc(Br)ccc3OC)C2=O)C1=O 1651831634 QPKHOMBGOILKIZ-OCCSQVGLSA-N 408.252 1.838 30 10 HDEE N#Cc1ccc(-c2nnc(CN3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)o2)cc1 1656984177 CCCBFPRLQVRQKR-UHFFFAOYSA-N 422.489 1.544 30 10 HDEE Cc1cc(C#N)cc(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1 1662642235 AUSFYUIWLZSCKA-UHFFFAOYSA-N 402.480 1.575 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)C1 1665457577 WTCJZBTWDORYPP-QGZVFWFLSA-N 413.565 1.604 30 10 HDEE CN(C)S(=O)(=O)N[C@@H](CNC(=O)Nc1cccc(OCC#N)c1)C1CCCC1 1667307704 BTQQXLDMKGZAGK-KRWDZBQOSA-N 409.512 1.665 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NCC1CCC(S(C)(=O)=O)CC1 1676086991 KMUYHGNQCAUYGA-FHERZECASA-N 420.539 1.172 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CS1(=O)=O 1682385372 WOYNLQMHBKQYMZ-DNVCBOLYSA-N 404.536 1.788 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3Cc3cnn(C)c3)CC2)c1C#N 1683970490 FJCVHRSIBNHFEP-IEBWSBKVSA-N 410.526 1.577 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CC1 1684887405 HGBRGTYSWRASNA-UHFFFAOYSA-N 408.462 1.577 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(NS(=O)(=O)C3CC3)c2)CCN1C1CC1 1685632607 PNGJFPDGQZIRKH-KRWDZBQOSA-N 403.508 1.472 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)CC1 1689877459 ZHEHGERMGWQUPC-CQSZACIVSA-N 418.514 1.079 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1689884521 YLIVIUHASJYADR-QFIPXVFZSA-N 421.505 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC(F)(F)CO1 1690046331 AZHWNIAQPXZPDF-CABCVRRESA-N 412.462 1.067 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2CC3(CCOCC3)C2)CC1 1690110755 YOBFEGKNSNGOML-UHFFFAOYSA-N 414.554 1.378 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2csc(COC)n2)CC1 1690128337 AVDAFNIQAXRBQR-UHFFFAOYSA-N 423.546 1.670 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCOCC1 1690245717 MAXRQPKZRQEPET-ZACQAIPSSA-N 410.540 1.388 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCSC[C@H]1C 1690659614 YGHLSNUZAMEVQI-CYBMUJFWSA-N 401.496 1.169 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2cnn(CCOC)c2)C1 1690700638 VPPRQXIAIPDEMZ-MOPGFXCFSA-N 416.526 1.845 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1692519358 IPTUJKICHDBDIJ-LAUBAEHRSA-N 416.526 1.884 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCCC2)C1 1692852100 DOLRQGHOIDPKKP-NRFANRHFSA-N 424.505 1.736 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1Cc2ccccc2O1 1698060846 IFSKYJBAGUJMAD-SJORKVTESA-N 410.478 1.599 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccncc2Cl)C1 1698487033 YLAZQPOZCZETAT-GOSISDBHSA-N 403.849 1.939 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(OCC)c1 1705584988 GKUHMNPTUMSLAY-UHFFFAOYSA-N 421.501 1.929 30 10 HDEE C#CCN(CC#C)c1nnc(CCc2ccc(OC)cc2)n1CCN1CCOC[C@H]1C 1705586758 VSCUQFBZQPWDKS-HXUWFJFHSA-N 421.545 1.865 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(OC)C1CC1 1705674583 MIVIUARPZWANPV-YSGRDPCXSA-N 406.552 1.987 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2CCN(C(C)=O)CC2)CC1 1705769189 LRLGKVIJPORYOM-SFHVURJKSA-N 421.567 1.595 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1705828943 CQNLKDDSAKVYIQ-MRXNPFEDSA-N 414.514 1.670 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC2(CCOCC2)C1 1705907666 SXPHIYYJCZJHIM-UHFFFAOYSA-N 413.526 1.449 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCn2ccnc2C1 1706850528 SYFKJJZNFUFWRU-SOUVJXGZSA-N 420.543 1.086 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC(F)F 1706864321 ICEXAMGOIVPBLO-NSHDSACASA-N 406.459 1.258 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCCN2CCOCC2)C1 1712875725 GSTZMKSBTURBJQ-FXAWDEMLSA-N 406.506 1.726 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCc2ccco2)CC1 1712885201 CLYSDSAHGZRZHC-MRXNPFEDSA-N 411.466 1.269 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)CC1CC1 1722347752 OGCSEMMABPEPOY-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1nc(C)no1)[C@@H]1CCS(=O)(=O)C1 1722366070 QRWJYBCOCUOJSR-GOEBONIOSA-N 420.539 1.743 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)cc2OC)CC1 1722437999 XWUDTDNBCFOQEI-SFHVURJKSA-N 408.506 1.350 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1722459726 PRORNZRTSWHZSN-MRXNPFEDSA-N 415.519 1.704 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1722484186 PIDIUEWXUOFMLE-QWHCGFSZSA-N 405.300 1.907 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1722640699 RFDSGYMVIKNRCC-CQSZACIVSA-N 401.533 1.048 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1722727954 QLKBIPARJNMEBE-JKSUJKDBSA-N 419.555 1.255 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CC[C@H](N2CCCCC2)C1 1722731213 GZDKEUJCAPDVEU-KRWDZBQOSA-N 411.572 1.480 30 10 HDEE COCCCN(C)CCn1c(Cc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1730690315 BEWQHHDHQTVGLH-HXUWFJFHSA-N 401.490 1.674 30 10 HDEE COCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)cn1 1730772527 OGGIBBNVLXXZAN-QFBILLFUSA-N 403.462 1.505 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740550619 QUTURJKDRCJWEN-YBKRRLQSSA-N 410.503 1.963 30 10 HDEE C#CCCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740586747 LWNADQWODQQUNL-MRXNPFEDSA-N 410.478 1.590 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1740595874 ZKVZZAVHSGSMEB-HNNXBMFYSA-N 414.535 1.740 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1Cc1cccc(OCC(=O)N(C)C)c1 1740612181 IQPWTSOPPJOGPV-UHFFFAOYSA-N 418.501 1.849 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740623004 MPEXCPYEAHORIN-QGZVFWFLSA-N 422.551 1.368 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1740623689 ZIYLETDSHWUMPW-LLVKDONJSA-N 423.283 1.770 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1740625846 ILGANBQZJQUTHG-IKGGRYGDSA-N 424.592 1.900 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC 1740657485 SPSXCNAAOWIGRF-KRWDZBQOSA-N 421.567 1.510 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ncccc1F 1740671938 SBKPAEOFASEPPW-AWEZNQCLSA-N 407.471 1.253 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCCOc2ccccc2)CC1 1740695429 RAYYVGYVKBQZSY-UHFFFAOYSA-N 405.506 1.903 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CC2)CC1 1740702973 CINHCPVRTGZWEB-JOCHJYFZSA-N 415.538 1.696 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N(C[C@@H]1CCOC1)C1CC1 1740719388 FDEVYTLTFHSZPD-INIZCTEOSA-N 403.552 1.772 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(CC)CCS(C)(=O)=O 1740956720 YVMQBGBRCFMGNU-UHFFFAOYSA-N 409.487 1.257 30 10 HDEE CC(C)(O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1741253184 AJFPTVUCAQAILQ-QGZVFWFLSA-N 417.535 1.991 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1741374761 HDQNSZDBCKRJIU-HNNXBMFYSA-N 415.498 1.385 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1741802146 KFJLRYKADXXVGY-HOCLYGCPSA-N 422.580 1.950 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1745787024 BPQVNAHANFPOQZ-GOSISDBHSA-N 423.477 1.374 30 10 HDEE CN1C[C@@](C)(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1748045610 JFQSCBVFGOHWAS-IERDGZPVSA-N 407.478 1.216 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCO[C@H]1CCOC1 1748784667 FCGFWDVEPNICBY-HNNXBMFYSA-N 408.462 1.859 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1748789121 WCPXICCLWWQZLF-KRWDZBQOSA-N 403.508 1.479 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748791359 STRYVIFEDIUPQU-BBWFWOEESA-N 407.540 1.056 30 10 HDEE CO[C@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1749166413 BDFIOOUKHBGUSO-WMZOPIPTSA-N 410.478 1.480 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@@H]3CCCO3)CC2)nnc1C(C)(C)C 1749241006 BTSLTLJZKPEGBO-KRWDZBQOSA-N 405.543 1.996 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)CC1 1749357499 SEEVBAUEVHHOOK-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1749367191 RNHMYUZKEILCRY-HZPDHXFCSA-N 411.572 1.902 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1(O)CCOCC1 1749597611 IPKZLCPHGCWCEX-UHFFFAOYSA-N 419.482 1.186 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C(N)=O)nc1 1749598117 RTIHJAJZZUCCGD-KRWDZBQOSA-N 400.483 1.701 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccc3)n2CCNS(=O)(=O)CC)C1 1749703900 RCTCIRHHCLBGCG-QGZVFWFLSA-N 405.524 1.666 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2C[C@@H]2COCCO2)C1 1750380215 MEHLVGYZMVIFKZ-QAPCUYQASA-N 402.386 1.711 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC(C)(C)C(=O)NC)[C@H]1CCS(=O)(=O)C1 1760187284 IZERTSQAXJGUCT-INIZCTEOSA-N 421.567 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1nncn1-c1ccccc1 1760193020 RERYDVLDEGCODN-UHFFFAOYSA-N 414.473 1.216 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCCOC(F)(F)F 1760196428 NHGWPFPFCAIFPU-QGZVFWFLSA-N 400.401 1.930 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2C[C@H](C)O[C@@H](C)C2)CC1 1760261273 NFJIWDAQIXPVTK-ROUUACIJSA-N 414.554 1.359 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@@H](C(N)=O)C1 1760284573 OVBKCDOYHSUFJK-MRXNPFEDSA-N 423.546 1.585 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1760284654 QOOCXZQKIMUIID-QGZVFWFLSA-N 417.510 1.326 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(OC)cc2)n1CCS(=O)(=O)NC 1760292290 WUJLJCLBCGLCTC-LJQANCHMSA-N 403.508 1.495 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(CC)CCS(C)(=O)=O 1760326968 ALEUYWGSVRHGCF-GVDBMIGSSA-N 412.556 1.982 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1760432920 OKPWGCMYRUMYKN-ZNMIVQPWSA-N 410.544 1.102 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC(N2CCCCC2)CC1 1760522972 IKSYBKJNEMICFT-UHFFFAOYSA-N 410.526 1.492 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 1760522977 INQHAOIVHUUQLF-OAQYLSRUSA-N 410.453 1.812 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 1760524632 DTCBUXCTECVBEU-UHFFFAOYSA-N 403.575 1.138 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)Cc1ccccc1 1760935821 HAZBLJDCNGILRZ-QGZVFWFLSA-N 403.508 1.745 30 10 HDEE CC(C)NC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1761250686 JLGBXKGAVUMUDM-WOJBJXKFSA-N 422.505 1.675 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2Cc2ncn(C)n2)CCOC1 1761286254 SDJOOIJFJMWPEG-UXHICEINSA-N 414.514 1.626 30 10 HDEE Cc1nccn1-c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)[C@H](C)CC#N)cn1 1762347486 BVAYZPMDCVHFPO-RHSMWYFYSA-N 419.493 1.905 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@@H]1CC(F)(F)CO1 1762611857 RREXPMVPVQVDKW-OCCSQVGLSA-N 404.425 1.388 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1764994302 VGVMZERLWIUZJS-GOSISDBHSA-N 421.461 1.714 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H](C)CN2CCCC2)CCOC1 1765921345 DEYCFTIEHBKZGJ-WAOWUJCRSA-N 418.542 1.391 30 10 HDEE CCOC1CC(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)C1 1766121879 MHIBMZKKQUQCBA-ZBABMDLNSA-N 419.526 1.936 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)C1 1767611814 ANWBNSQXKCSCOZ-QFIPXVFZSA-N 418.505 1.755 30 10 HDEE CNC(=O)CCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@](C)(C#N)C1 1769328764 CJSFSBUAWXIQQH-OAQYLSRUSA-N 420.477 1.860 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(Cl)nc2)C1 1770730707 DFWCXSABLAUDFG-SFHVURJKSA-N 403.849 1.939 30 10 HDEE COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)ON1C(=O)c2ccccc2C1=O 1772788944 KMPYSNUNMCCKNN-ZDUSSCGKSA-N 406.391 1.587 30 10 HDEE N#CCc1ccc(C(=O)N=c2nc(N3CCN(c4cccc(Cl)c4)CC3)[nH][nH]2)nc1 1852010514 PPWWZDYYTUZHBZ-UHFFFAOYSA-N 422.880 1.920 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)c2cc(-n3ccnc3)ccn2)CC1 1852690082 DBBYINKCAYGRFZ-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C2CCN(Cc3cnc[nH]3)CC2)CC1 1853306250 FKGRLEOCDTTYPY-UHFFFAOYSA-N 407.522 1.921 30 10 HDEE CON(C)C(=O)C1CCN([C@H]2CCCN(C(=O)c3ccc(C)c(C#N)c3)C2=O)CC1 1854030758 WWCZQQVKEVYIAZ-IBGZPJMESA-N 412.490 1.730 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC3CCOCC3)C3(CCCC3)C2=O)CC1=O 1854096479 AEAFSIHVYZJEFT-GOSISDBHSA-N 403.523 1.431 30 10 HDEE C=CCCC(=O)N1CCC[C@H](N2CCN(c3cc(N(C)C)nc(C)n3)CC2)C1=O 1855256023 CEPTYKHATXLCCG-KRWDZBQOSA-N 400.527 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCCC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1855599718 FGRQCLGPKNBWAX-QGZVFWFLSA-N 404.511 1.997 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1855647055 LNFBKINXURMBRJ-GOSISDBHSA-N 403.504 1.826 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)n1cncn1 1856080246 CQGAJIXAFIBMNS-ZDUSSCGKSA-N 403.464 1.152 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3cccnc3O[C@H]3CCOC3)C2)CC1 1856148908 BWYRGMNHECZIQO-MSOLQXFVSA-N 412.490 1.864 30 10 HDEE Cc1ccccc1C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CC1=O 1856234024 USXMTIFGXFROAZ-INIZCTEOSA-N 404.474 1.466 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCC[C@@H](N4CCC(CC#N)CC4)C3=O)n2)cc1 1856538747 OWDFICQDNUOXHB-GOSISDBHSA-N 407.478 1.728 30 10 HDEE N#Cc1ccc(OC2CCN(C[C@@H]3CC(=O)N(C(=O)c4cncnc4)C3)CC2)cc1 1856620349 XNZZCFMSPYEZGJ-KRWDZBQOSA-N 405.458 1.880 30 10 HDEE COC(F)(F)[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)CC#N 1856846428 XRJJJSQWCDPFRF-AWEZNQCLSA-N 413.402 1.408 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCCN([C@@H]4CCOC4)CC3)CC2=O)cc1 1856922635 ARXDWVJGJIESLT-LEWJYISDSA-N 410.518 1.272 30 10 HDEE CC(C)N1CCCC[C@H]1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857055587 GLXMCQUCBHYHLZ-MSOLQXFVSA-N 424.567 1.190 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1ccccc1F 1857099986 ALEKLLNMNLBDBE-AWEZNQCLSA-N 415.446 1.900 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@@H]1CCN(C)C1=O 1857237318 YXIRFJBSTQMTMT-GXTWGEPZSA-N 408.861 1.582 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2cn3ccc(C)cc3n2)C1)[C@@H]1CCN(C)C1=O 1857252944 OHDOPXNDVLZXMV-SJLPKXTDSA-N 409.490 1.350 30 10 HDEE COc1cccc(-c2cc(C(=O)N[C@H](CO)C(=O)Nc3ccccc3C#N)no2)c1 1867147016 VJPYTOITKWGFIU-GOSISDBHSA-N 406.398 1.951 30 10 HDEE CSCC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCCCCO 1869933431 HDKOQRYRWCWWKR-HNNXBMFYSA-N 413.565 1.516 30 10 HDEE C#CCOc1cn(CCCN(CC)CC)c(CN2CCC3(CC2)OCCO3)cc1=O 1870562252 WXUGYMUYQUDKNK-UHFFFAOYSA-N 417.550 1.931 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2)CC1=O 1874273155 AJOPYRLWZYZTLF-IKDHMPEHSA-N 418.498 1.991 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 1891190222 HXGIORBRVICOPQ-CYBMUJFWSA-N 421.369 1.137 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 1925825527 UZJYTLCNYQJNGH-GJZGRUSLSA-N 403.545 1.852 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NCc1nn(C)c(Cl)c1I 2054056468 VBLLWNWSZLRBNY-ZCFIWIBFSA-N 402.645 1.257 30 10 HDEE CC1(C)OB(c2cc(Cl)cnc2N2CC[C@H](NS(C)(=O)=O)C2)OC1(C)C 2172711869 QOLWQYMMUIEVPG-LBPRGKRZSA-N 401.725 1.162 30 10 HDEE C=CC[C@H](NC(=O)NCc1nn(C)c(Cl)c1I)C(=O)O 2174386501 RJHKNLUCAKNSSK-LURJTMIESA-N 412.615 1.507 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)C1NS(=O)(=O)N1CCC(C#N)CC1 2174789757 UWQIKPJCHSMVKL-KBPBESRZSA-N 400.545 1.948 30 10 HDEE C[C@@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@H]1CCS1(=O)=O 2186590182 HZNNBWWGFCLJHK-CMPLNLGQSA-N 400.331 1.149 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)[C@@H]1CCS1(=O)=O 2186590184 HZNNBWWGFCLJHK-PWSUYJOCSA-N 400.331 1.149 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1C[C@H]2CCO[C@@]2(C#N)C1 2229464335 OMCATASHQAZTHY-VLIAUNLRSA-N 417.487 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2243386455 AOBDIRMUAKUVPK-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243685848 CPUYIRFMWLYBAK-HNNXBMFYSA-N 408.304 1.763 30 10 HDEE C[C@@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247822895 JPRFZBRKOXAZKG-CHWSQXEVSA-N 420.319 1.837 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N(OCc3ccccc3)C3CNC3)nc2)OC1(C)C 2247923468 YZOSVWPTJQSCEG-UHFFFAOYSA-N 410.283 1.322 30 10 HDEE C[C@H](C#N)C1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2270517945 ZVBXJYVOTBUEJD-RHSMWYFYSA-N 423.491 1.567 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@@H](OCCO)C3)c2Cl)OC1(C)C 2282058353 SNPUZYSIOICFHI-LLVKDONJSA-N 401.721 1.924 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCC(O)CC1 2282320554 KASQTIQJOWYRLT-UHFFFAOYSA-N 401.359 1.938 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)C[C@H]1CCCN1 2282321283 VHZUMJGGWGZMKX-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCCC[C@H]3N)s2)OC1(C)C 2282328883 DVNBLYHFCBTFMK-CHWSQXEVSA-N 400.375 1.986 30 10 HDEE CCCNC(=O)[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282336243 AEUAVGMIVIFWHB-LLVKDONJSA-N 402.347 1.240 30 10 HDEE C[C@H]1CNC[C@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282339377 XSQJOMILKQVURF-STQMWFEESA-N 400.375 1.666 30 10 HDEE CC1(C)[C@@H](N)C[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282353563 IHRSMBQLKAEODV-RYUDHWBXSA-N 400.375 1.699 30 10 HDEE CCN(C)[C@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282414267 QGASHEGFGVZYNB-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282416018 PJHRZFKSSACIMM-SECBINFHSA-N 402.347 1.077 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CC[C@@H](O)C2)OC1(C)C 2282503159 VSVORDAXGRDUGV-NWDGAFQWSA-N 402.347 1.023 30 10 HDEE COC[C@H](CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)OC 2282865980 BHLOOBFXACHCKR-LBPRGKRZSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCS[C@H](C(=O)O)C2)OC1(C)C 2284397218 JZYPJECGFFEGBR-NSHDSACASA-N 419.355 1.238 30 10 HDEE CC(C)[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284403413 PRTCTMNILVBVBF-NSHDSACASA-N 403.331 1.682 30 10 HDEE CN(CCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2284417397 KOJLLFDKBSPOCZ-UHFFFAOYSA-N 403.693 1.734 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2CC[C@H]2N)OC1(C)C 2287585403 UOOZYZJTYPNBPA-BXUZGUMPSA-N 400.737 1.655 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2cccnc2)C1=C(O)c1cccc([N+](=O)[O-])c1 2296938646 GUDFBNINGRTIND-QGZVFWFLSA-N 413.386 1.420 30 10 HDEE COC1(C#C[C@@H](N)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CCCCC1 2363607637 CSALGXGYCCYQIN-HZPDHXFCSA-N 400.541 1.604 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2([C@@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2365187709 CTEICZHZBZOTSL-VCBZYWHSSA-N 401.525 1.448 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203629 UPYVHTNIACGSDI-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H](F)C3=O)ccc2Cl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n1c(CO)cnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 10063385 WKRZIFITNLXIRL-UHFFFAOYSA-N 417.491 1.367 30 10 HDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(CC)s3)n[nH]2)cn1 59831923 MUQASTKAVMALPE-OMCISZLKSA-N 418.512 1.778 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C2=NC(O)=C3C(=NC(=O)[C@H](C#N)[C@@H]3c3ccco3)N2)C1 72445695 SCJLZRNGFJCZQJ-YRGRVCCFSA-N 411.418 1.446 30 10 HDEE CN(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)N1CCO[C@@H](C#N)C1 409530291 PWHXGVUDTIOOHY-JTQLQIEISA-N 407.279 1.333 30 10 HDEE Cc1ccc(C(=O)N[C@H]2COc3ccc(F)cc3C2)cc1S(=O)(=O)NCC#N 426373344 SAGMVSXBFQXHCA-MRXNPFEDSA-N 403.435 1.670 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNS(=O)(=O)c3cccnc3C#N)C2)c1 428413314 ZCKMFLHXZXSSQM-CQSZACIVSA-N 402.476 1.775 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)[C@@H](C)C1 440578959 NYNLWRRCDGVEOT-ZDUSSCGKSA-N 408.462 1.379 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)c2c(F)cc(C#N)cc2F)CC1 445782386 MXPVLPDWEUINQW-UHFFFAOYSA-N 420.441 1.707 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 460384935 JWKMYPSFRKYWID-YOEHRIQHSA-N 421.523 1.787 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCN(c3nccn(C)c3=O)CC2)c1C#N 465226845 GAHHOFCLHUBHLY-UHFFFAOYSA-N 410.503 1.609 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)N(C)CC4)CC2)c1C#N 472211419 ZUDLMWHVJFCZCQ-UHFFFAOYSA-N 400.508 1.103 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCCN3C(=O)c3ccccc3)CC2)c1C#N 472273421 BLRISWBMUJGCHW-LJQANCHMSA-N 406.490 1.554 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(N4CCOCC4)n3)CC2)n1 483540142 DUUKAROJEHLRKH-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE COC(=O)CN1CCN(C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC1 484364946 XYMIQQGVQSOVCN-UHFFFAOYSA-N 402.842 1.720 30 10 HDEE N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)CSc1n[nH]c(O)n1)CCCC2 484556701 NEXFXHNMBVEGCL-LLVKDONJSA-N 402.480 1.972 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486484361 GRGLBQCSIBIGKO-XOBRGWDASA-N 408.506 1.940 30 10 HDEE CN1CCN(c2cc(C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)ccn2)CC1 487643391 APUHJIGCOMOKPK-UHFFFAOYSA-N 408.481 1.807 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Br)C2)CC1 503625729 OJICVUBUZCGZTD-CYBMUJFWSA-N 419.279 1.386 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(CCOc4ccccc4C#N)CC3)C2=O)n(C)n1 506651141 HDWJRHYCEMLTOI-FQEVSTJZSA-N 422.533 1.792 30 10 HDEE CN(Cc1cnc(N(C)C)nc1)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 508678969 QVOYOVBEGLPXMG-GOSISDBHSA-N 407.478 1.751 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 508800401 FRGWHZPSUXOKRJ-INIZCTEOSA-N 419.551 1.692 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(F)(F)F)CC1 508825450 FHCHRBMHFKEKQB-ZDUSSCGKSA-N 423.461 1.576 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccco2)c(=O)n1C[C@H]1CCCO1 514916385 LVOOPOKRHDWVBD-MRXNPFEDSA-N 413.499 1.244 30 10 HDEE N#Cc1cccc(N2CCN(CCCN3CCN(c4cccc(C#N)n4)CC3)CC2)n1 545505651 VSCPYBZSPXLFFY-UHFFFAOYSA-N 416.533 1.554 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@H](CN1CCCc2ccccc21)C(=O)O 547894589 BGEJHIYEZLGHRO-MRXNPFEDSA-N 403.435 1.882 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2snc(C)c2C#N)CC1 554970352 GQDPWURJCLRELD-UHFFFAOYSA-N 420.516 1.929 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@H]3CCN(C)[C@@H]3c3ccccc3)CC2)o1 562048015 WORXXCUERYUKHP-WIYYLYMNSA-N 408.506 1.538 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 567310412 OUUSFIFHUDJHKD-UHFFFAOYSA-N 401.511 1.229 30 10 HDEE CCn1nccc1CN(CCO)S(=O)(=O)c1cccc(Br)c1C#N 568665061 CZJSMAMVJXCWSQ-UHFFFAOYSA-N 413.297 1.720 30 10 HDEE Cn1cc([C@@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C2(CO)CCC2)cn1 570185425 VCYVHXROBAPCRN-LJQANCHMSA-N 416.503 1.227 30 10 HDEE COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)ccc1C#N 572211266 LWWSRXSRWCQBMB-UHFFFAOYSA-N 409.414 1.830 30 10 HDEE C=CCN(CCC(=O)OCC)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586151412 NMGYBJSVJJXAQP-UHFFFAOYSA-N 410.492 1.952 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(F)cc1 603826033 YTMQBOLBEJLWQK-UHFFFAOYSA-N 424.413 1.195 30 10 HDEE CC(=O)N1CCN(C(=O)CCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)CC1 609522620 ACMSEUOBGRQSBZ-UHFFFAOYSA-N 421.457 1.556 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615486743 OHDPYWNLDBSEDA-HNNXBMFYSA-N 414.487 1.322 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCCC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 680029114 BQUABVGEJGYOKT-UHFFFAOYSA-N 410.524 1.956 30 10 HDEE Cc1cn(CN2CCN(c3ncccc3C#N)CC2)c(=O)n1-c1ccccc1[N+](=O)[O-] 728706807 QPUXOFXBPPHREV-UHFFFAOYSA-N 419.445 1.902 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccc(F)cc1Br 731851089 GMRDXSWSUJMGIP-YPKPFQOOSA-N 418.244 1.393 30 10 HDEE CCCCN(C)c1ccc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 737305177 HIJAKUWUPBFQGA-HNENSFHCSA-N 413.478 1.504 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(NC(=O)[C@H](C)OC)c2)cc1C#N 747496146 ZFDKWPWOMCVXKG-ZDUSSCGKSA-N 410.430 1.795 30 10 HDEE CS(=O)(=O)[C@H]1CC[C@@H](OC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 752199753 KALXCQDBPCGCBQ-HIFRSBDPSA-N 400.478 1.001 30 10 HDEE C[C@@](O)(CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757472227 VXRHJKBJXBLPNX-HSZRJFAPSA-N 422.437 1.480 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1c1cccnc1 757606483 SAYIBJWSTVVPFX-CUSZFKRNSA-N 413.478 1.476 30 10 HDEE COc1ccc2c(c1)C=C(S(=O)(=O)NCCN/C(O)=C1\N=CC=CC1=O)CC2 758456390 BNNIHXJOGVHNAO-VHEBQXMUSA-N 403.460 1.428 30 10 HDEE CCOc1cccc(CCNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 760805823 SHFOWRRSWWFOMA-UHFFFAOYSA-N 416.503 1.658 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)CC(C)(C)C)n(C[C@H]3CCCO3)c2=O)c1 763435964 RRNUKWLKYXFYJB-MRXNPFEDSA-N 413.543 1.936 30 10 HDEE C=C(C)Cn1c(-c2ccncc2)nn(CN(C)CCN2CCCS2(=O)=O)c1=S 765055568 KEYQFCKYCYECNP-UHFFFAOYSA-N 422.580 1.977 30 10 HDEE COC(=O)/C=C/c1cc(OC)c(OC)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 769847582 ANDRJMBQYFDTKP-QWNKOJSDSA-N 410.448 1.193 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(CCO)CCC1 770638393 ZRXHYOYPHAFCPM-MRXNPFEDSA-N 407.536 1.953 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 771298561 LXOPOEJHURZPGS-MRXNPFEDSA-N 408.545 1.773 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 771300978 ROGHNZKQQYJMHU-MRXNPFEDSA-N 408.545 1.773 30 10 HDEE Cc1cccn2c(=O)c(C(=O)[C@@H](C#N)C(=O)Nc3ccc4c(c3)OCCO4)cnc12 773768337 GANQVSZDTPUNOT-CQSZACIVSA-N 404.382 1.735 30 10 HDEE C#CCN(C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)[C@H]1CCS(=O)(=O)C1 774031396 JJEOKYDIXHJYIC-KRWDZBQOSA-N 419.503 1.342 30 10 HDEE C#CCN(C(=O)NC1CCN(C(=O)c2ccccc2F)CC1)[C@@H]1CCS(=O)(=O)C1 774161100 CPNWUJBZAIKBGM-MRXNPFEDSA-N 421.494 1.262 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774218472 RJDYQZOBICGUBU-JKSUJKDBSA-N 413.540 1.608 30 10 HDEE C=CCOCCN1C(=O)[C@H](CC(=O)NC2CC2)SC1=Nc1ccc(C(N)=O)cc1 779753014 AUDNCTVKOUBRID-INIZCTEOSA-N 416.503 1.588 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)NC3(C2=O)[C@@H](C)CCC[C@@H]3C)n1 788365064 FGUAZEPDMYZJLX-IRXDYDNUSA-N 401.511 1.669 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)C2CCN(C(=O)OCC)CC2)n1 789220351 OUDRFGSPXCDTKG-KRWDZBQOSA-N 419.526 1.931 30 10 HDEE C=CC[C@@]1(C(=O)NCCC(=O)N2CCN(C)CC2)CCCN1C(=O)OC(C)(C)C 790632733 BUXXQPVKVQGKEZ-NRFANRHFSA-N 408.543 1.613 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn2ccccc2=O)cc1 790687686 VTBPXINVOHQHPP-VGSWGCGISA-N 411.458 1.786 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)C[C@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 791853783 TYBWMXDBASQQKH-KSSFIOAISA-N 402.513 1.815 30 10 HDEE CNC(=O)c1cncc(/C=C\C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 792657620 DZFNVMMQQDRJCI-LIXSYLKWSA-N 403.442 1.243 30 10 HDEE C#CCOc1ccc(CNC[C@@H]2CCn3ncc(C(=O)N4CCN(C)CC4)c3C2)cc1 792741596 ZDCZVSITWKMJJE-HXUWFJFHSA-N 421.545 1.635 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(Cn2cc3c(c(C#N)c2=O)CCCC3)CC1 793499754 REMNTFBVNTVLOA-QGZVFWFLSA-N 411.550 1.621 30 10 HDEE COC(=O)c1cc(Br)cc(S(=O)(=O)NC(=O)c2ccnc(C#N)c2)c1 796852802 DKUKWCGWOXCOET-UHFFFAOYSA-N 424.232 1.621 30 10 HDEE C[C@@H]1[C@@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC(=O)N1Cc1ccccc1 798409669 YHXBHJKGTSMNDW-IPWSYGNPSA-N 411.462 1.002 30 10 HDEE COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802449133 HXPCSZIMWNPRKW-INIZCTEOSA-N 412.494 1.785 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC/C=C\CNC(=O)OC(C)(C)C 807231647 OVGAEZFAWSACHS-GEXIGZQTSA-N 422.507 1.422 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 809884760 MOCCRGVLOCCMDF-INIZCTEOSA-N 419.507 1.514 30 10 HDEE C=CCC1(S(=O)(=O)NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1 810986479 AZHPGJGWBHFMLA-GFCCVEGCSA-N 404.535 1.456 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)COc3ccc(C#N)cc3OC)C2)n1 856700902 WOHXXXRBBUQGCR-HXUWFJFHSA-N 400.435 1.487 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)NC1CC1 1084565914 DPBPJWGYMZLGCJ-UHFFFAOYSA-N 406.384 1.438 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@@H](S(C)(=O)=O)CC1 1128437808 WJZHAJKZMQIFND-CABCVRRESA-N 401.529 1.999 30 10 HDEE CN(C)C(=O)O[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1129095091 FSZUUMJIIOFQJK-UKRRQHHQSA-N 404.854 1.864 30 10 HDEE C=CCCSCCNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O 1130881525 IYZBYGONEHWPDA-UHFFFAOYSA-N 400.302 1.318 30 10 HDEE N#CCCN(Cc1ccccn1)C(=O)Cc1csc([C@@H]2CCS(=O)(=O)C2)n1 1136680717 RIHBNUQVLXMEGM-CQSZACIVSA-N 404.517 1.925 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc(C3CC3)n2C2CC2)s1 1138054499 AHDMKPPGDCFNRG-UHFFFAOYSA-N 421.548 1.875 30 10 HDEE Cc1ccc(C(=O)N2CSC[C@H]2C(=O)N(C)C)cc1B1OC(C)(C)C(C)(C)O1 1142827298 GGUCPFSIUSHBDU-INIZCTEOSA-N 404.341 1.898 30 10 HDEE C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)N1CCN(C)CC1 1144227025 QJDBBJILRPRFCI-AWEZNQCLSA-N 420.355 1.509 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1158223285 HQLFTQMPMZIJGE-NSHDSACASA-N 420.516 1.060 30 10 HDEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)ccc(Br)c1F 1159489311 AKFWVEBNKBPORB-UHFFFAOYSA-N 407.199 1.728 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)c3c(Br)nc4n3CCOC4)C2)nc1 1160059219 IRPKPTSGNJCSAX-LBPRGKRZSA-N 418.251 1.736 30 10 HDEE CCn1nc(C(F)(F)F)c(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1C(F)F 1167523676 NXHSCGLPLXNJAU-UHFFFAOYSA-N 420.298 1.423 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC([C@@H](O)c2ccnn2C)CC1 1167670542 GQMWUNRMXBEYLX-OAQYLSRUSA-N 421.505 1.856 30 10 HDEE C[C@@H](CC(=O)NCc1cccc2c1CCOC2)/N=C1/NS(=O)(=O)c2ccccc21 1168765287 MFBHWWKHNGZCIL-AWEZNQCLSA-N 413.499 1.893 30 10 HDEE COCCc1noc(CN(C)CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n1 1192213175 CLCNWIDHIIHYHS-UHFFFAOYSA-N 410.396 1.877 30 10 HDEE CC(C)(C)OC(=O)NCCN(CCNC(=O)OC(C)(C)C)S(=O)(=O)CC#N 1192962949 CLWQNZOAFISIDN-UHFFFAOYSA-N 406.505 1.191 30 10 HDEE C=CCC1(O)CCN(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CC1 1231108363 DCYGUIZAAXUVRT-PMACEKPBSA-N 412.534 1.698 30 10 HDEE C#CCN(C(=O)c1oc2ccccc2c1CS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1 1251654196 WMTPQDMCIWXIHB-CYBMUJFWSA-N 409.485 1.240 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccccc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286303805 KFTJZKGFSGUFTG-HKUYNNGSSA-N 415.563 1.803 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1286336413 RPPGGTIRBHHCSL-FAJBIJEISA-N 420.510 1.166 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1(OC)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394955 QHZZEHDKRSPQMM-IAGOWNOFSA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1286398165 UTXCFADTCDMMSR-KRWDZBQOSA-N 414.473 1.457 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1286451392 JDOWLMDRKBOKFC-AWEZNQCLSA-N 401.496 1.044 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1286453518 VBDFSFGCXZWOFD-GOEBONIOSA-N 403.508 1.352 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CC(F)(F)CNC(=O)OC(C)(C)C)CC1 1286479011 NZSQYBDLWCJVRD-UHFFFAOYSA-N 412.485 1.756 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC2(C)COC2)CC1 1286491401 QIPNEUAZTKLLKN-UHFFFAOYSA-N 408.506 1.266 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnn(C)c1 1286515439 YQBSBTIIQOSCGL-IRXDYDNUSA-N 404.540 1.738 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2O)C1 1286538952 UPAQEKHCZTYTAR-ZDUSSCGKSA-N 419.283 1.801 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@@H](C)CC(N)=O 1286604640 VSQLMRBLPOXNFQ-AWEZNQCLSA-N 401.467 1.967 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O 1286819289 GEFFFSXOGKRQTA-HNNXBMFYSA-N 419.507 1.172 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCN(C(C)=O)CC1 1286823616 WRAASBYGODZWCF-UHFFFAOYSA-N 423.564 1.200 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1287144131 FDQFGYDATWIJRW-FGZHOGPDSA-N 408.506 1.940 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CCc1cnn(C)c1C 1291888057 XXAQXGIWIWXBRW-PWIGDYEPSA-N 400.523 1.890 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCN(C)C)C(=O)C1 1300244849 QSXYHRFRZDQMJV-CQSZACIVSA-N 402.923 1.255 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 1300411328 SAZWTHRKWRVIMK-QZTJIDSGSA-N 421.567 1.793 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1300421784 RGZDKYHZJXYTIO-HZPDHXFCSA-N 417.535 1.923 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1300429051 ZEGUCWVWSLYDPA-UHFFFAOYSA-N 403.508 1.350 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(S(C)(=O)=O)CC1 1300464439 FDKZFGMVDMXUDE-INIZCTEOSA-N 402.476 1.437 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)CC[C@H]2C1 1300767087 QNKPAWSEYJGXQN-INIZCTEOSA-N 416.576 1.811 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(=C)CC1 1301044183 GINFRXAATBLFAN-CQSZACIVSA-N 401.920 1.520 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(CC)CC1 1301492359 GQCCZVYLBNFBOQ-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[C@H]2COCCO2)C1 1301536744 ZMQJLWXOVBYENB-SJORKVTESA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(Cn2ccnn2)CC1 1301586313 KINDYLLFHBUPSK-UHFFFAOYSA-N 419.555 1.340 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1303635237 CGDZQYFFKHUZAN-ZMSDIMECSA-N 411.514 1.370 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)C(C)(C)C 1316102217 UIMRALUADATBAP-MRXNPFEDSA-N 406.531 1.701 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1318160900 RGWIVPMUKZZBBZ-MRXNPFEDSA-N 411.439 1.619 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc([C@@H]4CC(=O)N(C5CC5)C4)no3)C2=O)cc1 1321108168 DLRWBCWAAQFVCQ-CJNGLKHVSA-N 420.429 1.477 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1323728875 KIXBYQXZWZZEIX-HNNXBMFYSA-N 402.538 1.683 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1 1353197753 GJZHIRIHHZEWEK-MRXNPFEDSA-N 424.461 1.715 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1358873922 PXYUNIHLFAZHHN-JXFKEZNVSA-N 424.567 1.601 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OCC)n2)CC1 1358926918 HDWMIVPYUORFIM-UHFFFAOYSA-N 419.493 1.664 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1358954678 QMJNJZJKOJYQGU-OKILXGFUSA-N 400.487 1.295 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H](C)N1CCOCC1 1358983109 WLAFXLIUYNZFQB-LJQANCHMSA-N 423.517 1.659 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](N2CCCCC2)C1 1359226413 FKJSISJCHQUYEB-ZWKOTPCHSA-N 402.543 1.887 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCO[C@H](C)C1 1359271082 KQAROLKIYGKEON-QZTJIDSGSA-N 402.543 1.909 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC1([S@](C)=O)CC1 1359280841 GGNBORZMFQPWFM-LJAQVGFWSA-N 421.523 1.556 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1359289358 YSHWHHREJCZCEB-UHFFFAOYSA-N 400.527 1.958 30 10 HDEE COc1cc(CN2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc(OC)c1OC 1361287479 PIEUJIOMBKUQOF-UHFFFAOYSA-N 410.474 1.866 30 10 HDEE COC(=O)CCCCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1440400488 YHLZYGZSIYNPJM-MRXNPFEDSA-N 423.535 1.989 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn(C(F)(F)CO)nn2)CC1 1448827880 KFDTTWFFOUIBJV-HNNXBMFYSA-N 410.812 1.496 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NC[C@]2(O)CCS(=O)(=O)C2)c1 1449681583 AOVLJYNAVSVIGG-HXUWFJFHSA-N 400.456 1.417 30 10 HDEE O=C(CN1C(=O)CNC1=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456583804 GHSIOOMCXJUYRJ-PHDIDXHHSA-N 409.233 1.168 30 10 HDEE Cn1cc(I)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)n1 1456747301 WQGZHSURPDLDRF-UHFFFAOYSA-N 413.244 1.739 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 1460026075 HBROHPHAEAVHQO-IXDOHACOSA-N 415.490 1.658 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCCn3ncnc32)cc1 1464269042 LGJJJVTVSYQPSZ-OAZPQLMHSA-N 402.480 1.607 30 10 HDEE C=CC[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2C=C[C@H]1C)C(=O)OCC 1466783557 QQIZRKMOKHFHBR-MBJXGIAVSA-N 416.396 1.596 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 1469508414 BWSHVRGYLMZUCV-SFHVURJKSA-N 417.528 1.009 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)c1 1471542222 NDVNDZOTFDFRJQ-UHFFFAOYSA-N 411.483 1.943 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1471698614 OBOAGNIMFGIOLD-ZKXLYKBJSA-N 424.563 1.965 30 10 HDEE COC[C@@H]1CC[C@H]([C@H]2COCCN2C(=O)CCc2c(C)nn(CCC#N)c2C)O1 1472009791 IOSOGNFTXIEJHT-DFQSSKMNSA-N 404.511 1.768 30 10 HDEE C=C(C)CN1CCC(NC(=O)Nc2cccc(S(=O)(=O)NCCOC)c2)CC1 1476934130 HQVJHFDEGGTYKI-UHFFFAOYSA-N 410.540 1.773 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)C1 1477631278 RWJPDDJNEBNZNQ-UEXGIBASSA-N 412.534 1.833 30 10 HDEE C#CCC1(O)CCN(C(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1 1477733229 IVVJIDJXQQHYMP-UHFFFAOYSA-N 418.925 1.548 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[C@H]1CCOC1 1503105212 XVFBLMWGNOZJLJ-KRWDZBQOSA-N 411.510 1.834 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1503279991 NVPOZKLMGWHJOC-INIZCTEOSA-N 410.544 1.241 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1503694380 FFMBSVODGPNNDL-INIZCTEOSA-N 409.494 1.291 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1504895652 BGBWEZMMHUBTSA-FUHWJXTLSA-N 410.478 1.432 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)c1ccco1 1504966236 RNZMAFHGKGTISP-AUUYWEPGSA-N 420.445 1.467 30 10 HDEE CS(=O)(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1505124076 OIJXNIBCLONAAY-UHFFFAOYSA-N 401.492 1.355 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC)[C@H]1CCS(=O)(=O)C1 1507628243 VZKBTDJJNHNAGO-LPHOPBHVSA-N 410.540 1.357 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1C[C@H](C)N1CCOCC1 1507709179 TTZMAIQMMPWCMS-KRWDZBQOSA-N 401.486 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nc(C)cs1 1507772400 KEHAOQYLDWWOPT-KBXCAEBGSA-N 405.549 1.986 30 10 HDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C)C(=O)C1 1508163801 FVIGQPDSFQKAIP-UHFFFAOYSA-N 411.535 1.714 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1508729420 GWGTUEPFQIIZRL-NRFANRHFSA-N 410.478 1.359 30 10 HDEE CC(C)OCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C#N)C1 1509848964 BVNXSTMVCZBJLI-HZPDHXFCSA-N 411.528 1.114 30 10 HDEE CC(C)NS(=O)(=O)CCNC(=O)COc1ccc(C#N)c(Br)c1 1518960973 DKBACQQYAALDBN-UHFFFAOYSA-N 404.286 1.144 30 10 HDEE N#C[C@@]1(C(=O)Nc2ccc(F)c(NC(=O)CCN3CCOCC3)c2)CCCOC1 1525421533 MGXNOVQUSAWZAL-FQEVSTJZSA-N 404.442 1.745 30 10 HDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)COc2cccc(Br)c2C#N)C1 1534260887 CIRMQYUGJRCAST-NSHDSACASA-N 416.297 1.240 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539125484 MTRWRYPXNUBOGF-UWVAXJGDSA-N 421.567 1.793 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1539175918 DGEQEQJSBLCUOP-OAHLLOKOSA-N 414.514 1.639 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@H]1OC 1539232806 PSBMARXYKMOHMJ-DLBZAZTESA-N 408.462 1.050 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(C)COCCO1 1539299366 IRVFIPPHJIOKSQ-RTWAWAEBSA-N 402.495 1.199 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1539519380 FKGQLRWQLBQZCH-ZWKOTPCHSA-N 410.547 1.878 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)CC1 1540033526 KUFSPIPQFCCHNU-UHFFFAOYSA-N 407.496 1.167 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540868684 NPSKMXDAYPTGCZ-HUUCEWRRSA-N 420.539 1.209 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)(C)C)C2)nnc1[C@]1(OCC)CCOC1 1540876141 IOFNHWMRJLLOBZ-KKSFZXQISA-N 421.542 1.484 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccn2)n1C[C@H]1CCCN1S(C)(=O)=O 1541800648 DUNFAUMTJUVBHR-LSDHHAIUSA-N 403.512 1.502 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC1CCOCC1 1543310563 ANTOLPQZTILNHJ-UHFFFAOYSA-N 411.510 1.766 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@]2(CCOC2)C1 1547313925 SSFPEAHXLFHELM-NRFANRHFSA-N 410.478 1.291 30 10 HDEE CCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1547716377 BDJCOWIPHZDIGH-CVTQAYBASA-N 413.526 1.287 30 10 HDEE CCOC1CC(O)(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)C1 1548036626 QGBRSCBXGOJFGA-RQRBMRNWSA-N 411.478 1.374 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCOC2)n1CCNS(C)(=O)=O 1554150171 IJRDIKQCQMTQEM-KRWDZBQOSA-N 418.523 1.229 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN(C)C(C)C)CC1 1555581292 FMFAMLZQRIDBRI-UHFFFAOYSA-N 411.554 1.925 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1555719628 HKILQCQZPOYKDU-DLBZAZTESA-N 413.434 1.594 30 10 HDEE C#CCN(CC(=O)Nc1ccc([C@]2(C)NC(=O)N(C)C2=O)cc1)C(=O)OC(C)(C)C 1557234350 JBIKQCKBKRPLLW-NRFANRHFSA-N 414.462 1.892 30 10 HDEE COCCn1cc(CNC(=O)[C@H](Oc2ccccc2C#N)C(C)C)c(O)nc1=O 1558081378 HBRZEHDBGDAJJF-QGZVFWFLSA-N 400.435 1.187 30 10 HDEE Cn1c(=O)[nH]c(N2CCC(C(C)(C)CNC(=O)OC(C)(C)C)CC2)c(C#N)c1=O 1559291829 ROSCTUPFNMSZEU-UHFFFAOYSA-N 405.499 1.713 30 10 HDEE CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1565004965 HCKWTEFIYAXLQI-PMACEKPBSA-N 402.539 1.980 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCCCCN(Cc3ccccc3)C2)c(=O)nc1O 1565200384 YVXLWVIIPOEFDK-LJQANCHMSA-N 424.505 1.565 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3cnccc3C#N)CC2)CO1 1565431586 SSAHGDQHAVSYIK-HNNXBMFYSA-N 402.455 1.336 30 10 HDEE CCCCOC(=O)CNC(=O)[C@H](CCCC)/N=C1/NS(=O)(=O)c2ccccc21 1565651957 RIJDZERRUGAMOQ-HNNXBMFYSA-N 409.508 1.743 30 10 HDEE C#CCN1CCCN(C(=O)c2cccc(NN3C(=O)[C@H]4CC=CC[C@H]4C3=O)c2)CC1 1565815715 PAFAFDZALATTPL-BGYRXZFFSA-N 406.486 1.746 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 1583777241 HPRURDLXXZEXSN-LJQANCHMSA-N 408.506 1.582 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1584216048 APRCMGRFNNTWPI-OAQYLSRUSA-N 423.404 1.571 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](COC)[C@@H]2CCCOC2)ccc1F 1584512321 ZXPSITGGHJLGNU-GDBMZVCRSA-N 400.472 1.461 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](S(=O)(=O)NC)C1 1585942129 AURSHEKLXRYZBX-GJZGRUSLSA-N 403.545 1.776 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@@](C)(C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1587657678 KYGMDNXTEYUMJV-OAHLLOKOSA-N 405.398 1.590 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCn1cccn1 1587831452 OSIKBCQKNJEYPS-UHFFFAOYSA-N 402.466 1.667 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC[S@@](=O)CC 1587932718 ZRXIICKOWGIPPI-MHZLTWQESA-N 423.564 1.033 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H](C)CN1CCOCC1 1588015647 BXANUTXCTUNJIR-GOSISDBHSA-N 413.522 1.903 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1588050853 WBCKJYWRTMBVQH-QGZVFWFLSA-N 402.524 1.377 30 10 HDEE CCO[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C1CCOCC1 1588158137 PYQIIZZTDDVNHB-LJQANCHMSA-N 421.519 1.223 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(N(C)C)nc1 1588185795 MMIORYZHNKOEMA-QHCPKHFHSA-N 422.533 1.902 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1588211221 BIOIDNNRIAIKHH-UHFFFAOYSA-N 418.902 1.831 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1 1588387889 WJJGJEUPBBLOCL-SFHVURJKSA-N 417.535 1.427 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CCCCN2CCC[C@H]2CO)CC1 1588856846 CQWSKQFGTNVKNO-FQEVSTJZSA-N 400.571 1.223 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2Cc2ccc(NC(N)=O)cc2)CC1 1588947313 NLDSOKOHZNFITN-UHFFFAOYSA-N 409.494 1.345 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(C)CCCO2)CC1 1588968978 TXCBKKSVISWMDS-UTKZUKDTSA-N 401.511 1.665 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1588976199 RHXBSWQVRSGOSL-ZWKOTPCHSA-N 418.611 1.901 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H](C)C1 1589216197 LQWSINYGEHIDET-TVKQPGBESA-N 406.552 1.987 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCS2)C1 1595673958 LTECPUKIGAIBKJ-RRFJBIMHSA-N 415.585 1.565 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCC2CC2)CCO1 1596674014 HQMJEJSEEPHFAL-FQEVSTJZSA-N 424.505 1.870 30 10 HDEE C[C@@H](C(=O)N(CCC#N)Cc1ccco1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1598060194 RXIWNXCEFVSYBP-HNNXBMFYSA-N 404.467 1.990 30 10 HDEE CCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1cccc(Cl)c1 1607490273 VPPVSWVBGPZTDO-UHFFFAOYSA-N 424.848 1.919 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](O)[C@@H](F)C3)nnc12 1611695584 KYTQEKGTJRULAJ-ZFWWWQNUSA-N 417.466 1.254 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CCCC2)n1CC(=O)N(C)C 1612884729 FCYWXOFRXMEQGP-OAHLLOKOSA-N 423.525 1.401 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1COCCO1 1613321183 UHMQXQPWHJMDBC-AEFFLSMTSA-N 411.510 1.800 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1N1CCOCC1 1613342296 HAYFXHYVBSLBLK-WMZOPIPTSA-N 411.510 1.800 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)CN(C)[C@@H](C)C(N)=O)c(C(=O)OCC)c1C 1614556052 UGYUGSVFWUYACO-NSHDSACASA-N 411.480 1.320 30 10 HDEE CCOCc1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1616836122 RDUVNBLFQAVJCK-PSEQUABUSA-N 400.483 1.720 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1622745008 CHCWTCWCZBLPHQ-HNNXBMFYSA-N 413.496 1.165 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2csc(N(CC)CC(C)C)n2)CC1 1623499317 YDTZFHGUENTUKL-UHFFFAOYSA-N 405.568 1.062 30 10 HDEE Cn1cc([C@@H]2[C@@H](CNC(=O)c3cccc(C#CCO)c3)CC(=O)N2C(C)(C)C)cn1 1629308722 IOLYNRBGHWEDPU-NQIIRXRSSA-N 408.502 1.882 30 10 HDEE C#CC[C@H]1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2Cl)C1 1630401684 LDASTWTXYIYNPU-YOEHRIQHSA-N 410.923 1.745 30 10 HDEE O=C1CCc2cc(OC[C@H](O)CNC(=O)C(=O)/C=C\c3ccc(F)cc3)ccc2N1 1631326993 RYGWTJSOGIMPQX-UWLCPZNKSA-N 412.417 1.849 30 10 HDEE COC(=O)[C@H](C)Oc1ccc(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1F 1633090757 QLJXYBZMDDFMGB-SHYALIGYSA-N 405.382 1.621 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]([C@@H]2CCCO2)C1 1634209178 QDYJHHICTZLRBV-OAGGEKHMSA-N 409.483 1.706 30 10 HDEE C[C@H]1CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C[C@@H](C)S1(=O)=O 1637079009 RRVCGSCIFZAIPA-ZNMIVQPWSA-N 401.529 1.998 30 10 HDEE CCOc1c(Cl)cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1OC 1637506185 QWYVMQZMOAWVBM-UHFFFAOYSA-N 404.810 1.578 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C)c3nc(OC)ccc32)c1 1638686458 PPSIHLFCFGNEHZ-UHFFFAOYSA-N 400.460 1.098 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12 1640020194 RAMHXLVWLYGALT-UHFFFAOYSA-N 408.549 1.878 30 10 HDEE Cc1ccc(C(=O)N[C@H](CCN(C)C)c2cccnc2)cc1S(=O)(=O)NCC#N 1645042311 ACZQJORKNJZBIH-GOSISDBHSA-N 415.519 1.615 30 10 HDEE C#C[C@@H](NC(=O)CS(=O)(=O)c1cccc(Br)c1)C1CCOCC1 1645987282 QWXOBOVGKVFOPA-OAHLLOKOSA-N 400.294 1.767 30 10 HDEE C=CCN1CC[C@H](N2CCc3nc[nH]c3[C@]23CCN(C(=O)OC(C)(C)C)C3)C1=O 1647859942 AEAZREAFXQAVNR-HRAATJIYSA-N 401.511 1.891 30 10 HDEE C#CC[C@]1(C(=O)NC[C@H](O)c2c(C)nn(C)c2C)CCCN1C(=O)OC(C)(C)C 1648764211 XDNQPVMRRZWINO-HRAATJIYSA-N 404.511 1.980 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1649539153 CDACMQPIRMSDKK-DLBZAZTESA-N 413.570 1.958 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F 1651796521 SMRRHCDVMCTZDC-IWEFOYFVSA-N 403.435 1.813 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 1657039734 XIBQLWMMKSDLQC-UHFFFAOYSA-N 421.288 1.779 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1 1660548594 YTGVKRCIYGHOEY-UHFFFAOYSA-N 406.529 1.974 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cscc1Br 1661544797 OMPNKEMXUSBVRB-VIFPVBQESA-N 400.341 1.874 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1)C1CCOCC1 1670502716 VSBJGDDNCBZNIV-GOSISDBHSA-N 412.533 1.178 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cc1 1673777071 SLUFRRSOZCKRSC-UHFFFAOYSA-N 420.516 1.844 30 10 HDEE C=CCOc1ccccc1CNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1677622544 QIZOBIHVXUKNJY-UHFFFAOYSA-N 405.480 1.191 30 10 HDEE C[C@@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H](C)O1 1682087496 AIQURAXGCNELFB-BFYDXBDKSA-N 406.508 1.388 30 10 HDEE CCCCCCCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1684058411 WKMKHAYAUJBYLR-CALCHBBNSA-N 404.577 1.638 30 10 HDEE C#CCN(C(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1686851469 TVVBEBUGNHYEDI-HOTGVXAUSA-N 400.541 1.822 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1689682357 FSSAXJINHIJWIR-AGNRALNMSA-N 412.530 1.678 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCCCS(C)(=O)=O 1689944658 XKUCJEVVPZWZQD-UHFFFAOYSA-N 404.496 1.210 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1Cc1ccc(-n2cncn2)nc1 1689968977 KMKPGYURIIXCGA-UHFFFAOYSA-N 414.473 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSC(F)(F)F 1690032813 JZDSNEMUJSWDQW-GFCCVEGCSA-N 423.486 1.604 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C)COC2)CC1 1690139902 DPJRCJSIXGNMGW-UHFFFAOYSA-N 418.501 1.819 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCS(=O)(=O)CC)CC1 1690362357 ACGVNYLRGSCJJR-UHFFFAOYSA-N 404.496 1.517 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1690903947 BWOXRBDDRGYCHK-QGZVFWFLSA-N 405.466 1.098 30 10 HDEE CCN1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1695891055 RMPJHDUHAKIICS-JVMRMLDLSA-N 415.542 1.533 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)CC[C@H]1C 1697694974 MMGDFPOMHOLXMD-QAPCUYQASA-N 422.493 1.767 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1705516625 GEEWWWUYWYQJPV-HOTGVXAUSA-N 423.539 1.261 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncn(-c2ccccc2)n1 1705546250 GIBMEMGEFGRVCZ-OAQYLSRUSA-N 407.478 1.629 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N(C)CCCS(C)(=O)=O 1705687428 DHEFZGFZBYJLIT-GFCCVEGCSA-N 407.334 1.562 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(COC)CCOCC1 1705833352 COBWZGXEPHEUFM-UHFFFAOYSA-N 400.483 1.991 30 10 HDEE Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1707916622 KRSUWPWEQRPORJ-LUKYLMHMSA-N 402.499 1.818 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1708258307 AMEXZNMWCOSRIR-CRAIPNDOSA-N 424.505 1.869 30 10 HDEE CCN(CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1710062505 AZZGMRNZVRRNOX-KRWDZBQOSA-N 408.572 1.652 30 10 HDEE COCCN1C[C@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1=O 1712471345 DMHIGAPUIJZUHH-MSOLQXFVSA-N 416.526 1.234 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1722313940 DUCDCZVJEMBKKY-UHFFFAOYSA-N 419.537 1.984 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cc(C)cc(OC)c2)CC1 1722438507 UDGKLNINXDJNMT-UHFFFAOYSA-N 403.490 1.856 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(C)C(=O)C1 1722480018 NSROMFYCFGZJST-GFCCVEGCSA-N 402.293 1.189 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1722625955 DRAJEHVEYCAODX-INIZCTEOSA-N 407.540 1.890 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1726395790 IGDQKAGDJUOGKY-KRWDZBQOSA-N 422.493 1.163 30 10 HDEE CCc1nnc(N2CCC(CNC(=O)c3cnn(C)c3)CC2)n1Cc1ccc(C#N)o1 1727557014 RVVFAYBZLUHSGB-UHFFFAOYSA-N 422.493 1.733 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1740553352 RCNNSYZEGGWUIF-GXTWGEPZSA-N 408.553 1.431 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCn1cccn1 1740588872 ICGPEAOQMYEQIL-UHFFFAOYSA-N 416.489 1.938 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(Cl)cccc1OC 1740608676 CUJWHHWEYFGYBW-CYBMUJFWSA-N 408.911 1.960 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1NC(=O)CC1(C)C 1740612878 LLNUOCHZAJLXNE-CQSZACIVSA-N 400.508 1.254 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCCS1(=O)=O 1740635302 UFVWQSAPGLNFHZ-LJQANCHMSA-N 407.499 1.857 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740719542 OLVPRUPCRNWIBR-GOSISDBHSA-N 412.563 1.935 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1740793728 LJCNPNAFBLZSJU-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740953941 WOHRHYDNAPOXJO-CYBMUJFWSA-N 402.886 1.568 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1Nc1ccn(C)n1 1740963225 DUOOTSNIWLNVCS-UHFFFAOYSA-N 400.468 1.049 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cnnn1 1747851275 UODGJXIQJWCTAG-QGZVFWFLSA-N 407.482 1.756 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(N(C)C)nc1 1748779407 IXHJCSJKSZSZJA-UHFFFAOYSA-N 414.477 1.500 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](c1ccccc1)N(C)C 1748948803 WTVXIVIMEJXIRP-HXUWFJFHSA-N 424.549 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)COC)CC1 1748977856 KPOSETOHOLAFMY-GHTZIAJQSA-N 405.543 1.356 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1749732057 OJTGCWGFSZWXQT-CYBMUJFWSA-N 421.489 1.829 30 10 HDEE N#Cc1ccnc(N2CCN(c3nnc([C@H]4CCCO4)n3CCCCCO)CC2)c1 1750384632 HVTOJAFSZRQSJO-GOSISDBHSA-N 411.510 1.885 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2nncn2CC)c1 1760127752 LDKHXLWHRBTSRD-UHFFFAOYSA-N 422.493 1.531 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnc(C(C)C)nc1 1760145921 YCJWWZNWJGRSCT-HNNXBMFYSA-N 419.555 1.852 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCCC2)C1 1760154384 DJQLPAUJYJKQHL-MSOLQXFVSA-N 405.568 1.658 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760162518 VHTSBFTVCGDHBH-RBUKOAKNSA-N 416.570 1.970 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1760171015 DXMGJCVQIMKVMF-UHFFFAOYSA-N 407.478 1.826 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1 1760193242 XCENUMMPVDXSCY-QZTJIDSGSA-N 418.494 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cc(C)nn1C 1760198859 KEBWGLFIDYAJOM-UHFFFAOYSA-N 412.461 1.084 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1760215667 JLINRNLQPMCHRH-UHFFFAOYSA-N 409.457 1.827 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1760357999 LYWXNKIILGRNSN-UYAOXDASSA-N 418.586 1.812 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CCOC2)C1 1760547408 KHZADHZTUVTGLC-KKSFZXQISA-N 418.469 1.929 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1760936537 ZCWHVHPWXBBUFH-GWOGKKTRSA-N 402.499 1.789 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCCC2(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1761226376 DUCVDLHVRNPAKY-BMRADRMJSA-N 415.498 1.322 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1770143424 NAPUPNUGLSRFPO-INIZCTEOSA-N 412.494 1.537 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)ON1C(=O)c2ccccc2C1=O 1772789166 ABLLBGTYGHPGSL-INIZCTEOSA-N 420.418 1.883 30 10 HDEE C#CCOc1ccccc1C(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 1852033065 DYUFRWDUEJPWMD-NRFANRHFSA-N 406.438 1.823 30 10 HDEE Cc1cc(C)c(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c(C)c1 1852585107 ROZSRDSEDZMFQX-SFHVURJKSA-N 418.501 1.975 30 10 HDEE COCCN1C[C@@H](C(=O)Nc2c(C#N)cnn2-c2ncccc2C(F)(F)F)CC1=O 1853003088 GLGBCMZUNKKSIU-NSHDSACASA-N 422.367 1.591 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)s1 1853607361 BUUDZPBZZKVFDY-ZIAGYGMSSA-N 402.520 1.826 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@H](N3CCC[C@H](Oc4ncccn4)C3)C2=O)ccn1 1853985275 LFNQPJNHUOWANM-ROUUACIJSA-N 406.446 1.418 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@H]2CCCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)C1 1854032616 ZINHXOXSBDWUHQ-OALUTQOASA-N 417.531 1.517 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CC=C(c4cccc(C)n4)CC3)C2=O)CC1=O 1854129159 AWDPGISJMGVHPS-UYAOXDASSA-N 408.502 1.641 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc3n(n2)CCCC3)C1=O 1854263084 POGWYOYNAWRXOM-RTBURBONSA-N 413.522 1.459 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)C(=O)[C@@H]1C 1854330621 OFEDOHAGJDVLOW-INIZCTEOSA-N 405.520 1.720 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(F)c(F)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642876 ZRXTWMOHTFYRKA-GFCCVEGCSA-N 419.409 1.898 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCCN(C(=O)Cn3cccc3)C2=O)CC1 1854744541 VHGSATYPEKXESX-IBGZPJMESA-N 406.490 1.485 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1cn(C)nn1 1854751170 ZMCVLCYZYZUYNQ-UHFFFAOYSA-N 415.475 1.297 30 10 HDEE CN(c1ncc(Cl)cn1)C1CCN([C@@H]2CCCCN(C(=O)CC#N)C2=O)CC1 1854799651 ZCCJOOSWTOOTQG-MRXNPFEDSA-N 404.902 1.852 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@H](F)CC(F)(F)F)C2)C1 1856387011 UKDXLWAGYCWXGP-DGCLKSJQSA-N 414.359 1.682 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1 1856548279 KTKOXPDLLMAGOJ-SJLPKXTDSA-N 415.515 1.522 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(CCOC)Cc3cccn3C)C2=O)CC1=O 1856756852 KRVYZVBTQKQQGH-MJGOQNOKSA-N 416.522 1.026 30 10 HDEE N#Cc1ccc(C(=O)CN2CCC([C@H]3CC(=O)N(C(=O)[C@H]4CCOC4)C3)CC2)cc1 1857133042 IXAJCCPEUHHQIM-PMACEKPBSA-N 409.486 1.865 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cc(-n4ccnc4)ccn3)C1)CC2 1857231794 HOQXHPSXFLIVMI-SJORKVTESA-N 404.474 1.882 30 10 HDEE COC(=O)c1c(C)oc(NC(=O)c2nn(-c3cccc(OC)c3)c(=O)cc2O)c1C#N 1859647766 HZVVLFLRMFKJID-UHFFFAOYSA-N 424.369 1.759 30 10 HDEE Cc1cc(C(=O)N[C@H](CO)C(=O)Nc2cccc(C#N)c2)nn1-c1ccccc1F 1867174307 YSVVEOOMEDKTCU-GOSISDBHSA-N 407.405 1.921 30 10 HDEE CN(C)CCCNC(=O)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869932052 ROLMAAAGXJRMRP-GOSISDBHSA-N 414.531 1.404 30 10 HDEE C=CCN=c1nc(N(CCO)CCCC)[nH]c(=Nc2cccc([N+](=O)[O-])c2C)[nH]1 1871643958 JONCIPMUJUCUDV-UHFFFAOYSA-N 401.471 1.872 30 10 HDEE O=C(N[C@H](CC[S@](=O)CC#CBr)C(=O)O)OCc1ccccc1 1883403557 WZOQGDAPSGIYOX-JCQPUDPBSA-N 402.266 1.861 30 10 HDEE O=C(N[C@@H](C[S@](=O)CCC#CBr)C(=O)O)OCc1ccccc1 1883403821 ZNSQTAIMIRVHDC-ZAMGYDSWSA-N 402.266 1.861 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3ccnc(C#N)c3)CC2)CC1 1889291797 UVDKMJBUNLCSEU-UHFFFAOYSA-N 409.534 1.604 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(F)cc3F)CC2)CC1 1889325122 OJAHSQKYZJYBGX-UHFFFAOYSA-N 405.489 1.766 30 10 HDEE CN(C)CC#CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc4c(c3)OCCO4)C2)CC1 1889889108 PXLPVDJYIFLZKE-SFHVURJKSA-N 411.502 1.614 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)[C@H]2CCC(=O)N2c2ccccn2)CC1 1890094249 AFLTWODMNAWSGN-GOSISDBHSA-N 404.474 1.971 30 10 HDEE Cc1cn2c(=O)c(C(=O)N3CCC(COc4nccnc4C#N)CC3)cnc2s1 1891384854 GCPNFGDZWREDDZ-UHFFFAOYSA-N 410.459 1.657 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)N2CC(COc3cccnc3C#N)C2)cc1 1891950370 BCRHRMGEZPLIGS-UHFFFAOYSA-N 400.460 1.077 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2012912351 PEKGEIKQYXNSQG-INIZCTEOSA-N 420.315 1.488 30 10 HDEE CC[C@H](C#N)N1CCN(S(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 2089783645 YWTSWODWZPIHKT-MRXNPFEDSA-N 418.519 1.312 30 10 HDEE CN(CCC#N)C(=O)CN=[S@@](C)(=O)N1CCCN(C(=O)OC(C)(C)C)CC1 2174593485 IZBBWNISRMHHOW-HHHXNRCGSA-N 401.533 1.314 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)(=NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782250 OOXGOEAWPQYRTR-NRRJATNASA-N 421.541 1.402 30 10 HDEE CC(C)(C)OC(=O)NCCO[C@H]1CCN(S(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174786349 JBUHAOGZKREOPZ-GJZGRUSLSA-N 402.517 1.082 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N[C@@H](C(=O)O)C1CC(F)(F)C1)C(F)(F)F 2180574127 GXURJRWMOWCYQX-MLUIRONXSA-N 400.222 1.601 30 10 HDEE C[C@H](C#N)CS(=O)(=O)NC[C@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471649 DJPPQSFFBBVKOJ-CHWSQXEVSA-N 410.487 1.252 30 10 HDEE CC1(C)OB(c2ccc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)s2)OC1(C)C 2197935344 OVOXNTVDYFVDNR-NSHDSACASA-N 400.331 1.034 30 10 HDEE CC(C)(C)C1CC(S(=O)(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2240465231 VLTYPZGOLVWQLL-UHFFFAOYSA-N 401.363 1.826 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838377 HCJUUCKGIQZVJT-STQMWFEESA-N 422.335 1.751 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247856973 PGFLBBRCWIKKJY-VXGBXAGGSA-N 423.323 1.146 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2247859915 YVOOMSFRKXFVRP-INIZCTEOSA-N 420.315 1.601 30 10 HDEE C#C[C@@H](C1CCC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258164397 QXQFJMUWYFXXHN-SJORKVTESA-N 408.476 1.430 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H]3CCOC[C@H]3CO)sc2Cl)OC1(C)C 2281963363 KPYIFTMCGJAUHC-ZYHUDNBSSA-N 401.721 1.828 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCCC34OCCO4)cc2)OC1(C)C 2282424202 ZAIXSAVORIIZPO-QGZVFWFLSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC3(CO)CCC3)ccc2Cl)OC1(C)C 2282498591 GUQIYSOFRQXBRK-UHFFFAOYSA-N 401.721 1.833 30 10 HDEE C[C@H]1COC[C@H](C)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282499027 MHHBEUIGRAYJDT-RYUDHWBXSA-N 402.347 1.381 30 10 HDEE C[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282499051 MSJUMVJVVFXUEM-BXUZGUMPSA-N 401.721 1.952 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282516199 BMXQKRFVJPXZNX-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCC[C@H](S(C)(=O)=O)C2)OC1(C)C 2282516793 KUXBLGLFOHMKAI-NSHDSACASA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H]2C2OCCO2)ccc1B1OC(C)(C)C(C)(C)O1 2282829888 LWBBSJYXTOEHCS-QGZVFWFLSA-N 423.340 1.820 30 10 HDEE CN1CC[C@@H](CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282835106 PKURIXCSGKFPDO-NSHDSACASA-N 420.793 1.931 30 10 HDEE COC[C@@H](CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282849823 HHNGAYOXMSTJBY-GFCCVEGCSA-N 405.347 1.377 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284397086 IHOCIDFEIPJJAT-SECBINFHSA-N 403.331 1.758 30 10 HDEE Cc1cc(S(=O)(=O)NC2(C(=O)O)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2284416403 XOKVQPGKPJEWII-UHFFFAOYSA-N 401.315 1.641 30 10 HDEE COC[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)C[C@H](C#N)C(C)C)C1 2289501986 VZQDDNJLQMWRJU-PMPSAXMXSA-N 403.545 1.974 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 2303108701 JRGZVCUWCNTAJR-ZIAGYGMSSA-N 423.319 1.417 30 10 HDEE CCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(=O)OC)cc1 2330770463 PQMVJBOJYGBWBV-UHFFFAOYSA-N 405.480 1.850 30 10 HDEE CCN[C@H](C#Cc1nc(C)cs1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338382015 MSQHPGDVMLJGKR-ZIAGYGMSSA-N 401.554 1.719 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCCNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2362289115 ADVHVIGRNRXUNH-AWEZNQCLSA-N 402.517 1.082 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2367791222 YAFGSQZDPGRSQF-KXBFYZLASA-N 400.541 1.571 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@@H](O)c2cccc(I)c2)CC1 2367842268 FLQIMZQUQAXRIU-ZDUSSCGKSA-N 404.225 1.474 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccccc2C(=O)c2ccccc2)CC1 27558992 MACKIHGIIBXGBB-UHFFFAOYSA-N 420.513 1.776 30 10 HDEE Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cnn(CC(=O)NC2CCCC2)c1 61565098 YQWLXLABDZZGQV-UHFFFAOYSA-N 410.478 1.690 30 10 HDEE Cc1ccc(S(=O)(=O)N=C2NCN(Cc3ccc4c(c3)OCCO4)CN2)cc1 72471254 IZXYUIDWYFMFNJ-UHFFFAOYSA-N 402.476 1.421 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(S(=O)(=O)c2ccc3oc(=O)[nH]c3c2)C1 238963322 YSHXLHPUOVZRPH-LLVKDONJSA-N 401.404 1.015 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 409475847 FDNGUAUMBXNWNQ-SJORKVTESA-N 400.932 1.782 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 410066715 DIKUMMRPZVJAQI-FUHWJXTLSA-N 406.479 1.769 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2c(Br)cccc2C(=O)OC)CC1 432942259 FBEVRLMKIRCPEN-UHFFFAOYSA-N 410.312 1.656 30 10 HDEE COc1cc(CNC(=O)COCC(=O)NCc2ccc(C#N)c(OC)c2)ccc1C#N 460573064 LASLPMDKKKCJIE-UHFFFAOYSA-N 422.441 1.396 30 10 HDEE COc1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1N1CCNC1=O 461297314 RRAONZIZZUHOGW-UHFFFAOYSA-N 403.402 1.929 30 10 HDEE CC(C)[C@H](C#N)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N3CCOCC3)cc12 464293096 GZJPVHWPRPELRF-KRWDZBQOSA-N 418.475 1.239 30 10 HDEE N#Cc1ccc(OCCNC(=O)NCCS(=O)(=O)NCc2ccccc2)cc1 465669877 SLBRWKOVVIBXFO-UHFFFAOYSA-N 402.476 1.356 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@]3(C)CCCN3C(=O)c3ccccc3)CC2)c1C#N 472275284 KRPDAGCXMVPRFF-HSZRJFAPSA-N 420.517 1.944 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@H]1CCCO1 474354318 JPVFVYJHLYUETH-DOTOQJQBSA-N 411.527 1.911 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 488794536 KKGKKLWXHUGLSH-UHFFFAOYSA-N 416.478 1.844 30 10 HDEE Cn1c(=O)nc(O)c2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)cnc21 499434449 UJIREUIQGUJABJ-ZDUSSCGKSA-N 414.219 1.791 30 10 HDEE C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CN 504543739 XEXJOPLDBYLHLY-GVLIRJLHSA-N 419.518 1.291 30 10 HDEE COC(=O)[C@H](C)CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)Cc1ccccc1 512449186 CSRTUCUQRIWPNC-CTNGQTDRSA-N 414.550 1.990 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](Cn2cccn2)C1 514429963 HNHLSSBIVQAAAY-QGZVFWFLSA-N 401.515 1.875 30 10 HDEE Cc1ccc(C(=O)N[C@H](Cc2ccccc2)CN(C)C)cc1S(=O)(=O)NCC#N 519486593 QOJKLWPYHGLMGB-LJQANCHMSA-N 414.531 1.700 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC2(CC1)NC(=O)N(C)C2=O 534117671 HIJNVOQUYNYJNQ-LLVKDONJSA-N 401.492 1.452 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)[C@H]2C1 535889999 VRXCLIKEXGOROL-WCZJQEMASA-N 407.492 1.020 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)NCCOC)cc2C1=O 535972939 CFQSWZLOOKYWCZ-KRWDZBQOSA-N 401.463 1.376 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCC[C@@H]2[C@H]2CNC(=O)C2)CC1 537291859 YBSMAYQHQDKMBM-KZNAEPCWSA-N 415.563 1.448 30 10 HDEE Cn1c(C2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 548834695 VCXFVBPPGMQYNM-UHFFFAOYSA-N 400.508 1.855 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 549278058 QBDREJZJKAFQEB-QWHCGFSZSA-N 412.541 1.499 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(-c4ccoc4)n3C[C@@H]3CCCO3)CC2)c1C#N 549500331 DIHLANOIZWYYQI-KRWDZBQOSA-N 422.493 1.957 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CN3CCN(Cc4ccccc4)CC3)C2)nc1 557472307 KBUNQKRILQOPQY-OAQYLSRUSA-N 405.502 1.751 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1CCc1cccnc1 609038045 CMFWUSDZQOCXKZ-UHFFFAOYSA-N 418.522 1.577 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc(C#N)cc1F 609229975 GZKHDCNJTBFKJJ-UHFFFAOYSA-N 417.462 1.957 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1ccc(F)cc1C#CCO 703968701 GMTYNXXFWKLVKS-UHFFFAOYSA-N 402.403 1.207 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cnn3ccccc23)c(=O)n1CCC 729671025 BAYMXTIFTRRTRV-UHFFFAOYSA-N 409.515 1.387 30 10 HDEE N#Cc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(F)c1 729846265 UKWRMTALSHRJNF-UHFFFAOYSA-N 400.435 1.832 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 730308843 HJCIOUCWPMUEBN-OAHLLOKOSA-N 414.405 1.638 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732154188 SFPTVURUNKXGCN-NKWDDMGQSA-N 424.501 1.629 30 10 HDEE COC(=O)[C@@H](OC(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)c1ccc(C#N)cc1 740196087 YZQKUJKMWCENLU-KRWDZBQOSA-N 413.430 1.912 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O 740478423 GWQXQHCTIPLNEO-HYEKCJMVSA-N 417.853 1.271 30 10 HDEE CSc1nnc(CCCNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)C 741091687 VTBVWBRBOOGVEA-INIZCTEOSA-N 405.572 1.970 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)cc1 746125276 PNELIZKYZAUMIR-YGCDDZCOSA-N 412.446 1.541 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)c1cccc(C#N)c1 755183311 CIYGJOPGGMGJLU-INIZCTEOSA-N 415.446 1.800 30 10 HDEE CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 763631127 DVJLMOSGHDPOOJ-QBNCKDSPSA-N 413.474 1.972 30 10 HDEE CC#CCCCCOC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 768112500 FKQQXWVJZJPXAR-UHFFFAOYSA-N 409.504 1.995 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(C(=O)N[C@H](C)C(C)C)CC1)c1cc[nH]n1 772155324 HXOMFFIAMYABMJ-CQSZACIVSA-N 421.498 1.093 30 10 HDEE CCN1CCC(n2nccc2NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 775160303 MJQDAQZWQYEQMJ-UHFFFAOYSA-N 410.478 1.675 30 10 HDEE C#C[C@@H](NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O)[C@@H]1CCCO1 775343159 XYXIRXSLOUIYNJ-CABCVRRESA-N 405.248 1.732 30 10 HDEE C[C@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1ccc(S(N)(=O)=O)cc1 781398734 CJDAPJBJDBQVKP-ZDUSSCGKSA-N 413.455 1.808 30 10 HDEE Cc1cn2c(n1)CN(C(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 782819616 UXKCYUHTGIXCLB-MRXNPFEDSA-N 415.519 1.687 30 10 HDEE C[C@H](NC(=O)C(=O)NCCNc1ncccc1C#N)c1ccc(-n2cccn2)cc1 787787068 GSXFCRNZTXDQBX-HNNXBMFYSA-N 403.446 1.544 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc([N+](=O)[O-])ccc2OC)n1 788895323 ZAYQIFKLHPBUPZ-UHFFFAOYSA-N 401.423 1.791 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)[C@@H]2CCCOC2)sc(=Cc2ccoc2)c1=O 794615263 TZHFDFYDKMPMTK-OAHLLOKOSA-N 402.472 1.038 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(O)(c2ccc(Cl)cc2)C1 802668398 VHJJSCOHYKZPBJ-CYBMUJFWSA-N 419.890 1.608 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCOC1 802759612 OLRMUBUWGKSYCV-RYRKJORJSA-N 404.515 1.215 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCOC1 802759613 OLRMUBUWGKSYCV-SOLBZPMBSA-N 404.515 1.215 30 10 HDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCCNS(C)(=O)=O)c1 803196354 DVTQEGLFHXLQDN-UHFFFAOYSA-N 416.532 1.498 30 10 HDEE CCOC(=O)C1=C(COC(=O)c2cc(C#N)ccn2)NC(=O)N[C@H]1c1ccccc1 803848215 LAHZKTXDLSQAST-SFHVURJKSA-N 406.398 1.981 30 10 HDEE C#CCN(c1nnc(CCCc2cccs2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812088291 TZHNQAUFQDJKTG-MRXNPFEDSA-N 422.576 1.788 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)Cn2cnc3c(cnn3C)c2=O)cc1C 826063410 MWUFQVNJQOMASM-UHFFFAOYSA-N 422.445 1.237 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCO[C@@]3(CCSC3)C2)ccc1F 1130022410 HGGJJYBOJINOMJ-KRWDZBQOSA-N 400.497 1.638 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1135982146 FHLKEOZSWUKKML-NXHRZFHOSA-N 402.495 1.670 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2)c2nc[nH]n2)c1 1140666497 OCVPNVWLBUKREH-SFHVURJKSA-N 409.471 1.278 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1 1140743498 OBRMBMVIBZVXDS-UHFFFAOYSA-N 420.535 1.096 30 10 HDEE N#CC[C@@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)C(F)(F)F 1156053561 UXKXQKSHQQRRFY-GFCCVEGCSA-N 411.427 1.407 30 10 HDEE C=CC1(CC(=O)NC2CCC3(CC2)NC(=O)NC3=O)CN(C(=O)OC(C)(C)C)C1 1157268021 SWFBITDTCGNWDB-UHFFFAOYSA-N 406.483 1.437 30 10 HDEE C#CC[C@H](CO)NC(=O)CCC(=O)N[C@H](C)C(=O)c1ccc(Br)cc1 1160145952 KDDQSGQMCHKEHJ-IUODEOHRSA-N 409.280 1.417 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3CCN(CC#N)CC3)C2)C1 1160753000 QLULMGFXPJQSKC-ZGOJQLDESA-N 401.511 1.877 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)cc1 1163736894 FHMXXPUKWZQVRH-ZFWWWQNUSA-N 404.410 1.828 30 10 HDEE C[C@H]1[C@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)C[C@H]2CC[C@H]1N2C(=O)OC(C)(C)C 1163878547 MZPDHEOBFNUDJP-CTHBEMJXSA-N 403.483 1.544 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1166616947 CUKVVNHVBHJLSD-UHFFFAOYSA-N 418.544 1.945 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(Cc3cc(C#N)ccn3)CC2)c([N+](=O)[O-])c1 1167914038 XIOVPKPHUJWHBP-UHFFFAOYSA-N 401.448 1.587 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCC[C@H](CNC(=O)C(F)(F)F)C1 1170756119 MYSMBQXSDXKHQY-CQSZACIVSA-N 407.392 1.677 30 10 HDEE N#Cc1cn(CCO)c(=O)n(CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1=O 1189745934 PXNDAPUYQMKNAO-UHFFFAOYSA-N 417.636 1.473 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(OC)cc1OC)C(=O)OC 1191201878 PHXUHDOCIDSPQY-SNVBAGLBSA-N 406.254 1.310 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(c3cc(Cl)ccn3)CC2)CC1 1197936971 FKLAMVWQBHKAHE-GOSISDBHSA-N 404.946 1.549 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1262005398 AHWNNJCZDHJKGO-HNNXBMFYSA-N 420.491 1.045 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc2c(c1)C(=O)NCC2 1286277381 YGEXIFZDEOYPDM-WAIKUNEKSA-N 423.517 1.722 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1286390246 ZDVMOVDLBSQUAR-INIZCTEOSA-N 403.508 1.312 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1ccco1)[C@H]1CCS(=O)(=O)C1 1286391765 GEPSKCRVJXBZEO-HOTGVXAUSA-N 404.492 1.440 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](SC)C(C)(C)C)CC1 1286471087 HURPJUIHGRCJJZ-INIZCTEOSA-N 406.600 1.949 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N(C)CCS(=O)(=O)CC 1286549814 WTHAIDOPCSOXJQ-GFCCVEGCSA-N 407.334 1.909 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1286556152 OGBVIRLEAOTOSZ-AZUAARDMSA-N 416.570 1.783 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cn2ccc(C)cc2n1 1286774033 XTJUBZWKEAXGFO-KRWDZBQOSA-N 409.494 1.872 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(C)=O)C1 1286818429 IMJCKECSOPGJCB-QGZVFWFLSA-N 418.523 1.046 30 10 HDEE C=CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286837656 YSLWBSDDRDDQCP-UZLBHIALSA-N 423.583 1.906 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cnn(C)c2)CCOC1 1288304653 GYFHQYWMMABZQO-OALUTQOASA-N 403.462 1.542 30 10 HDEE C#CC[C@]1(C(=O)N2CCN([C@H]3CCC[C@H]3O)CC2)CCCN1C(=O)OC(C)(C)C 1292514200 FTIZSPTZKICAOF-NJNPRVFISA-N 405.539 1.837 30 10 HDEE CC[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@H](C)O1 1293621183 BJXLHGTVROXPSQ-PXODIOGPSA-N 414.510 1.761 30 10 HDEE CCCN1CCC(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1294634541 UBZIIBPYTZDNSF-SFHVURJKSA-N 415.542 1.365 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)Nc2cc(C#N)ccc2O)C1 1295827323 CQLMMIJXCMXJSN-BFUOFWGJSA-N 421.475 1.484 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCO[C@H](c3ncon3)C2)C1 1296311994 HGUUQSOEAHJSKK-HNNXBMFYSA-N 418.251 1.740 30 10 HDEE C[C@@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nncn1C 1296585144 NGPFVRIMXDVNQV-NSHDSACASA-N 403.284 1.805 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)SC)C[C@H]1O 1299413737 QZPUNLFDVAXNJD-IAOVAPTHSA-N 415.519 1.928 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCN1CCOCC1 1300541251 OKCQCTINBDWVEP-UHFFFAOYSA-N 417.517 1.312 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[C@H]2CCOC2)C1 1301491589 UEXVGALXBDEMOD-DLBZAZTESA-N 413.526 1.624 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN2CCCC[C@H]2C1 1301506538 MKZICSFMAKINBE-SFHVURJKSA-N 412.513 1.985 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(C)C)C1 1301595039 MBKZCIFQBMSGQX-CABCVRRESA-N 417.601 1.669 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1301670030 IKFYPSMNKVASPP-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccccc3[S@@](=O)C(F)(F)F)C2)c(=O)nc1O 1305589208 DQYFJAOQYJLSKY-MUUNZHRXSA-N 412.349 1.145 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OC 1309864447 UZCKHTUYYQQMKP-CYBMUJFWSA-N 405.494 1.275 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O 1312280998 XOYPHKBNNZPSKB-OAHLLOKOSA-N 401.463 1.787 30 10 HDEE C#CC[C@@H](CO)NC(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1312733392 JFVKRTFWBZKSCV-QAPCUYQASA-N 407.536 1.299 30 10 HDEE C=CCOCCCNC(=O)N1CCC(N2C[C@@H](C(=O)OC(C)(C)C)CC2=O)CC1 1313022075 CROPHKVOJDDCFO-INIZCTEOSA-N 409.527 1.943 30 10 HDEE CCN(CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1313720557 NDEIJKBYBRIFKW-KSZLIROESA-N 406.531 1.463 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCOCC2)CC1=O 1314926337 HJZCBFWCCKVJJU-UHFFFAOYSA-N 410.478 1.027 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)NCc3cccc(OCC#N)c3)CC2)CC1 1318530233 WCOSXKRCYRPJIO-UHFFFAOYSA-N 413.522 1.675 30 10 HDEE COC(=O)c1nc([C@@H]2CCCN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)sc1C 1324955963 FOFOXKPDQVWNBN-ZFHSLQLHSA-N 418.475 1.818 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cnn(-c3ccncc3)c2)c1 1355984535 UGAWYEFLUCJFDP-UHFFFAOYSA-N 415.453 1.754 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358962021 IXLPMQXAUDNXJG-QZTJIDSGSA-N 424.567 1.963 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCN2CCCC2)CC1 1359038691 GCSGLUCDJNMQRB-UHFFFAOYSA-N 419.533 1.580 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359121741 GRNLIRQWFJHXQL-MRXNPFEDSA-N 416.551 1.780 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCCn2cc(CO)nn2)CC1 1359177995 GRRDIFQTQHJUOD-KRWDZBQOSA-N 401.515 1.749 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCSC2(CCOCC2)C1 1359297122 GFYRQVXGNOVLNW-UHFFFAOYSA-N 414.535 1.745 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCSC2(CCOCC2)C1 1359297201 ILIIQROLVZLEIG-UHFFFAOYSA-N 416.551 1.688 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC(OC(C)C)CC1 1359331090 NCIVEPPEEZYWEY-UHFFFAOYSA-N 422.555 1.673 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)F)CC1 1359345647 LXZVGDFWQZCMDP-UHFFFAOYSA-N 414.526 1.707 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)Cc2ccc(O)cc2)cc1 1446705502 BFWQTEBPOGORBA-QGZVFWFLSA-N 402.472 1.803 30 10 HDEE C[C@H](CC(=O)NCC1(O)CCC(F)(F)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1453938185 URHBDBNROAAOCX-GFCCVEGCSA-N 415.462 1.560 30 10 HDEE C[C@@](O)(CN1Cc2ccccc2C1=O)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1456055701 AHFGAVAWMNVQIK-WZONZLPQSA-N 419.485 1.763 30 10 HDEE C=CC(C)(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 1458348028 LMCRKCPMSADSJU-UHFFFAOYSA-N 404.510 1.119 30 10 HDEE CCOC(=O)[C@@](C)(NC(=O)c1cc(C)c(C#N)cn1)c1ccc(S(C)(=O)=O)cc1 1459588686 YOJDGWZOGMTXFC-FQEVSTJZSA-N 415.471 1.874 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCCS(=O)(=O)c2ccccc2)c1 1464435081 VYQVZWNKHICVMA-UHFFFAOYSA-N 410.448 1.327 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)CCOCC1 1464570447 ZWPUIEKUACMGLA-UHFFFAOYSA-N 410.448 1.931 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1465153982 IUZWAUXYUGJIIV-HNNXBMFYSA-N 408.524 1.433 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1465754086 RLMMFBXERAEAFE-FMPZLKCCSA-N 419.526 1.693 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2ccc(O)c(OC)c2)s1 1465978602 HSPGVDKECDMUMZ-UHFFFAOYSA-N 410.517 1.828 30 10 HDEE C#C[C@@H](NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C1CCOCC1 1468354754 SXPFQLWTQJYFCK-OAQYLSRUSA-N 400.523 1.545 30 10 HDEE C#CCN(C)CCCNC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1 1468546395 UVSMBMHEKIVBCR-QGZVFWFLSA-N 418.542 1.925 30 10 HDEE C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1472035891 PMSAUODHUGHDHS-XEIPEAKMSA-N 405.451 1.431 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)CCC1 1473820130 ZCGFSKJQCKBHPT-UHFFFAOYSA-N 417.531 1.258 30 10 HDEE N#Cc1ccccc1N1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cnc3c2)CC1 1474930739 HYEQDAIXSVGVCI-UHFFFAOYSA-N 409.471 1.696 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCOC[C@H]2C[C@@H]2CCCO2)C1 1478404993 XAXJCDULSIXPTH-VVLHAWIVSA-N 408.499 1.725 30 10 HDEE C[C@H]1COCCN1c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1494578639 OASZQYSWCZIUFJ-HMWBCQRISA-N 400.483 1.687 30 10 HDEE CC[C@](C)(O)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1494772232 JTSKOEMPKJGZRE-KNBMTAEXSA-N 406.531 1.340 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCOCC(F)F)c1 1505316190 AHGNMOFOOBITRE-QGZVFWFLSA-N 418.448 1.619 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1COc2ccccc2O1 1507539045 QNBLIUVBONLSEL-XHSDSOJGSA-N 416.503 1.478 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1507632204 JSUPNZFZNJPOLL-BSDSXHPESA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2nsnc2c1)[C@H]1CCS(=O)(=O)C1 1507632941 BPLBKVIEEQTFNB-AWEZNQCLSA-N 416.532 1.520 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2nc(C)no2)CC1 1507721592 WMFVFICXCBSSSE-UHFFFAOYSA-N 416.489 1.896 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2ccsc2)CC1 1507731542 LEOBWQRQRMVFIL-QGZVFWFLSA-N 419.576 1.240 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1507902192 CKUOPTHEDVJMIY-IAGOWNOFSA-N 416.526 1.127 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507928860 JWPSQOOLUZQABC-OAHLLOKOSA-N 417.514 1.245 30 10 HDEE N#C[C@]1(C(=O)N2CCC[C@@H](S(=O)(=O)N3CCc4ccccc43)C2)CCCOC1 1521843039 JIZAKQVWAJOBGL-YLJYHZDGSA-N 403.504 1.690 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 1525110348 WPGXRSPASMXXMX-HXUWFJFHSA-N 410.495 1.908 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(C#N)C2)cc1 1529650903 JCMOBLVHOHAGOE-LJQANCHMSA-N 409.508 1.346 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Cc1ccc(Br)cc1C#N 1530741118 TZAAJNMENJNGFP-QWRGUYRKSA-N 410.268 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCc1ncccc1S(C)(=O)=O 1531301475 RFVVNXUVBBZRME-ZDUSSCGKSA-N 410.496 1.688 30 10 HDEE C=CCCSCCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1531365815 FSLVIUQSDKCIGJ-UHFFFAOYSA-N 402.513 1.886 30 10 HDEE Cn1cc(C(F)F)c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1535637656 WRQPKKJJAPWUHC-CQSZACIVSA-N 416.388 1.751 30 10 HDEE N#C[C@]12CN(C(=O)c3ccc(Br)c([N+](=O)[O-])c3)C[C@H]1CS(=O)(=O)C2 1537005295 CBOOGMDVBGDHPC-IINYFYTJSA-N 414.237 1.368 30 10 HDEE Cn1cc([C@H]2[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC(=O)N2C(C)(C)C)cn1 1538588634 GWUZEADDAXSZQO-MJGOQNOKSA-N 414.506 1.973 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1539273557 XEQZLJCFNLHEGF-UHFFFAOYSA-N 414.469 1.515 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC)C1 1539290269 CYMOLZZOPYBGSC-GOSISDBHSA-N 405.506 1.730 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1539291646 ULGQMDVRUKYOIU-PGRDOPGGSA-N 413.522 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)C(=O)NCC 1539337297 GHOVVYSDGHVAQN-ROUUACIJSA-N 415.538 1.627 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)c1ncc(C)s1 1539414028 RFJZFSLZQRKNCR-UKRRQHHQSA-N 402.524 1.884 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC2(C)COC2)CC1 1539430112 GMIOFRMFWMBRHE-OAQYLSRUSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2nncn2CC)CC1 1539434695 TUTZVBYPJCWXLY-UHFFFAOYSA-N 406.494 1.369 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1539621871 UMFDZKLZFASCNW-IEBWSBKVSA-N 411.510 1.388 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1540005473 LQOLBDJRSCYCEX-OAGGEKHMSA-N 409.556 1.812 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1540861911 LEVXXTMENMWEMJ-RDJZCZTQSA-N 417.558 1.172 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1540877174 MVMZBIVXRJHNCF-IAGOWNOFSA-N 418.542 1.420 30 10 HDEE CC(C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1541297477 SMKLRGXOGMJBIN-QKKBWIMNSA-N 412.494 1.724 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccc[nH]3)n2CCOCCS(C)(=O)=O)C1 1541989605 OSAKKKPACUPQTD-GOSISDBHSA-N 406.512 1.464 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1544797038 UONVCTIMANVUQE-UGKMNXKKSA-N 409.494 1.902 30 10 HDEE CN(CCC(F)F)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554255049 LQDSRODNVSARJH-FUYOWACXSA-N 410.425 1.400 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1554482778 KQCKLNYZWOGAMJ-UHFFFAOYSA-N 412.494 1.788 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C1 1554531756 PCMFCABMEXAIQE-QGZVFWFLSA-N 415.519 1.932 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCOC(F)(F)F)C1 1555986694 ROCPKPNLYQTKJT-OAHLLOKOSA-N 404.368 1.769 30 10 HDEE N#CCC1CCN(c2nnc(C3CC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1555995593 BICUHJZVQRPILF-UHFFFAOYSA-N 421.505 1.549 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCS(=O)(=O)CC2CC2)CCO1 1555996105 WTCKXKQOTGNROP-INIZCTEOSA-N 421.548 1.484 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)c1Br 1556602979 RVNWNLXEBKDVKS-NSHDSACASA-N 401.286 1.109 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCn3cnccc3=O)C2)C1 1557152510 CKSDUZVWRPXNQN-RDYUPDBUSA-N 401.467 1.146 30 10 HDEE COC(=O)[C@@]1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCC(C)(C)C1 1557543044 OEPUCVWMOQTWHH-HXUWFJFHSA-N 421.519 1.743 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@]2(C#N)CC3CCC2CC3)c1 1565628242 NAVWEWJRQLMEQY-SUUYCBGTSA-N 418.519 1.758 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccccc1NS(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 1569718085 RZUSURRIGPVSPH-CQSZACIVSA-N 417.443 1.736 30 10 HDEE CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(=NOCC(=O)OCC)c2cc[nH]n2)C1 1584007820 HZDHGBFITIQPHW-GJZGRUSLSA-N 421.498 1.237 30 10 HDEE C=CCn1cc(CNC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)nn1 1584319060 JBTRNCSDNOVVFU-UHFFFAOYSA-N 424.914 1.230 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)OC)C(C)(C)C)ccc1F 1585224116 MLDCCRZDHHGHKQ-OAHLLOKOSA-N 400.472 1.998 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 1588035581 VQIKFONIYCDTNW-HXUWFJFHSA-N 424.530 1.506 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1588124930 WUURVLFUGORSLE-QGZVFWFLSA-N 415.448 1.164 30 10 HDEE C=C1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cc[nH]n2)CC1 1594121870 HLTFIEXVMNYFGG-UHFFFAOYSA-N 409.498 1.449 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1nccc(C(F)F)n1 1595297587 SSAPHYWHSPEIFJ-CYBMUJFWSA-N 407.425 1.644 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(CO)CC1 1595776630 CDRVXGRQOLSJSV-UHFFFAOYSA-N 420.535 1.763 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)N[C@]2(C[C@@H](C)C[C@@H](C)C2)C1=O)C(=O)OCC 1596777750 LAHUDESIXVVTEL-MAAUKKLOSA-N 413.902 1.924 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCc3cc(=O)n(-c4ccccc4)n3C)CC2)o1 1596949688 YOEPGWOALNPSOQ-UHFFFAOYSA-N 420.473 1.877 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CS(C)(=O)=O)C1 1598193641 HATDMLHLSAVWFR-CHWSQXEVSA-N 410.920 1.294 30 10 HDEE CC(C)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)C1 1603027865 UZFCZGILHNOSNN-QGZVFWFLSA-N 402.524 1.848 30 10 HDEE C[C@@H]1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)CCO1 1612686940 GGILFTYAHUMIAM-WBVHZDCISA-N 415.519 1.867 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCN1CCCO)[C@H]1CCOC1 1617734099 BUPOBAINFFKDJU-PMACEKPBSA-N 410.522 1.889 30 10 HDEE C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)S(=O)(=O)C1CCOCC1 1618077446 GULGDGVNJDEIKS-HNNXBMFYSA-N 406.504 1.662 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618729807 CZNAUOUKRYFFBR-DLBZAZTESA-N 416.478 1.051 30 10 HDEE COC(=O)[C@]1(NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CCCC(C)(C)C1 1620431578 AZJFJXKCTQEETR-NRFANRHFSA-N 417.510 1.605 30 10 HDEE N#CCC(=O)N1CCN(C(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)CC1 1622396350 YXESKKOFQCIRKO-OBGWFSINSA-N 417.429 1.516 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)c1 1623316274 OAYCHBINBVVDCM-CQSZACIVSA-N 415.446 1.938 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)C(F)(F)c1ccccc1C#N 1625362854 FDYXOFURDRMMFH-UHFFFAOYSA-N 409.414 1.835 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)C(=O)c1ccc2c(C#N)c[nH]c2c1 1629751847 VUFPCJUNUDQKBG-UHFFFAOYSA-N 416.434 1.977 30 10 HDEE CCn1ncc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1630223513 XORFHYGYOZLMSS-HNNXBMFYSA-N 404.496 1.068 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)o3)C2)c1 1630762529 VWUCNXOTFZLONJ-UHFFFAOYSA-N 400.460 1.872 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)COc3ccc(C#N)c(Br)c3)C2)C1 1632425775 SNIQRKNXXZUDAH-KRWDZBQOSA-N 422.235 1.620 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)c1 1633771660 QZUKJFUEPZMFRW-QGZVFWFLSA-N 401.419 1.348 30 10 HDEE C#CCN(C(=O)NCc1cccc(N2CCCS2(=O)=O)c1)C1CCN(C)CC1 1634010556 FJTIEVWRTZTZQM-UHFFFAOYSA-N 404.536 1.466 30 10 HDEE COc1cc(CNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)ccc1C#N 1635040522 PGMRJPQOPKMJJN-UHFFFAOYSA-N 407.430 1.618 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1635753261 NZDQUFHJJSMLQM-UHFFFAOYSA-N 413.515 1.427 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 1636352015 AMWUFDNPDKHJKJ-NSHDSACASA-N 415.880 1.922 30 10 HDEE C[C@]1(C(=O)NCC2(C#N)CCOCC2)C[C@H](O)CN1C(=O)OCc1ccccc1 1637331761 DMFGTFJCJITLDC-FXAWDEMLSA-N 401.463 1.585 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2C[C@H](O)C[C@H]2C(=O)OC)cc1OC 1637433002 LUYFIQSZJNVGLJ-CVEARBPZSA-N 408.451 1.359 30 10 HDEE C#C[C@H](CO)NC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 1637747076 WVHUWTQTGGREEA-CYBMUJFWSA-N 400.294 1.646 30 10 HDEE COC[C@]1(C(=O)NCc2ccc(C#N)c(F)c2)CN(C(=O)OC(C)(C)C)CCO1 1638048052 FCNLYNJINFJVFT-FQEVSTJZSA-N 407.442 1.966 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCO[C@@H](c2cccs2)C1)c1cc[nH]n1 1638657055 FBDLZZPVRPKSIB-TZMCWYRMSA-N 406.464 1.792 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1nnc(O)n1C 1640162178 XHMKUPHHAKUQRK-UHFFFAOYSA-N 410.228 1.249 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)N(C)CCc2cccc(C#N)c2)cc1 1642075813 RQPHMEJTZSHLDC-UHFFFAOYSA-N 401.488 1.798 30 10 HDEE CNC(=O)NC[C@H]1CN(CC(=O)Nc2ccccc2SC[C@H](C)C#N)CCO1 1643861596 KIOIIEHCTKMXDZ-CABCVRRESA-N 405.524 1.507 30 10 HDEE C=CC1(CC(=O)NCc2cn(CCOC)c(=O)nc2O)CN(C(=O)OC(C)(C)C)C1 1644313724 RIRICMSJFYLBTD-UHFFFAOYSA-N 422.482 1.025 30 10 HDEE Cc1cc(O)nc(N2CCC[C@H](NC(=O)CCc3c(C)nc(O)c(C#N)c3C)C2)n1 1645352910 FJGIVFAKJYTUQV-HNNXBMFYSA-N 410.478 1.798 30 10 HDEE CC(C)n1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C2CCOCC2)n1 1645997601 GGFMKFYNGYSITM-HNAYVOBHSA-N 406.508 1.368 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cn(CCCC#N)c4ccccc34)C2)cc1=O 1647909595 JUGMAFAQTLMJOJ-OAHLLOKOSA-N 420.473 1.753 30 10 HDEE O=C1C[C@@H](C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)NC(=O)N1 1648125829 ROHKWUSFLPIUBP-PBXRRBTRSA-N 409.233 1.214 30 10 HDEE CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1648790358 GGMXHTXJQKOHHD-UHFFFAOYSA-N 413.409 1.641 30 10 HDEE N#Cc1ccnc(N2CCN(Cc3ccc(OCCN4CCOCC4)cc3)CC2)c1 1652092898 BJWJEDJRNUXARO-UHFFFAOYSA-N 407.518 1.986 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1C[C@]2(CO)CCCC[C@]2(CO)C1 1654996905 LZJMNUAWFYODBL-SZPZYZBQSA-N 409.490 1.529 30 10 HDEE C[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)C[C@H]1CS(N)(=O)=O 1656303362 PQRRUNAPCFVOJU-MCIONIFRSA-N 424.592 1.930 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)NC2(c3ccc4c(c3)OCCO4)CCCC2)CC1 1658694360 WEAOIQZSMWHXMA-UHFFFAOYSA-N 412.490 1.401 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1)C(=O)OCC 1663315200 JWVYORVIJKLZGA-GFCCVEGCSA-N 406.407 1.982 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccccc2OCCN2CCOCC2)C1 1677512644 BRFQJDJJSKBNCT-HXUWFJFHSA-N 400.523 1.294 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 1689877057 PGVBEVRHHYVMME-HZPDHXFCSA-N 411.572 1.943 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1CCCc1cnn(C)n1 1690021199 LNEUANCKSQIIGP-UHFFFAOYSA-N 409.444 1.981 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)CN(C)C 1690034402 GWJDTDGKDCDSFS-QFIPXVFZSA-N 401.555 1.981 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCS1(=O)=O 1690060544 AKWFSIMDMHYURA-XLIONFOSSA-N 424.567 1.746 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC1(S(C)(=O)=O)CC1 1690104599 AKTLWCMLZRYWOF-UHFFFAOYSA-N 420.510 1.671 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2CCOC[C@@H]2C1 1690662052 PQNNYHHUKJPRID-KRWDZBQOSA-N 416.913 1.422 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C2CCC2)CC1 1690673882 IFOOJLGBKCBLKY-UHFFFAOYSA-N 415.567 1.611 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690739980 FJLMYESXEVRGOS-ZIAGYGMSSA-N 410.569 1.912 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNC(C)=O)C1 1690749798 PXHCUASRYIYAHV-KRWDZBQOSA-N 420.583 1.672 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1691008679 KUUBQTPDKRRZHF-BFUOFWGJSA-N 415.523 1.344 30 10 HDEE CC[S@](=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1696525966 ALQDHGUXPHNUOO-AYEUKFJJSA-N 413.519 1.529 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(C)CCC2)CCO1 1696972823 JPHIKWFOUKOWCC-GOSISDBHSA-N 424.505 1.870 30 10 HDEE COC[C@H](F)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697782191 RILFZCQHLJNTTI-IAGOWNOFSA-N 415.473 1.360 30 10 HDEE COC[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)C1 1697881461 LRUFDRFCFXOBTQ-MPGHIAIKSA-N 401.467 1.988 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H]2CCC(=O)N2)CCO1 1698493763 XMHUWAGUEYCQDK-ZIAGYGMSSA-N 400.414 1.004 30 10 HDEE C=CCNC(=O)NC(C)(C)C(=O)N[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1C 1702274520 MREBDILXUOBDTF-UYTYNIKBSA-N 402.539 1.816 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)c1ccccc1 1705541060 YJYSHJBSAGXMMR-UHFFFAOYSA-N 417.535 1.740 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(C)=O)c1 1705596478 FYILOVCOFHKUQN-IBGZPJMESA-N 404.474 1.699 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCOC2)CC1 1705643919 VCWISESKOSGBHE-QYZOEREBSA-N 403.527 1.184 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705663976 TWJOFLAQWROIFM-SFHVURJKSA-N 416.595 1.340 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1705692317 GFGUEHKLGXPLKH-UONOGXRCSA-N 414.304 1.380 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705825679 ZYTUCWYRFPMJCR-UHFFFAOYSA-N 418.542 1.120 30 10 HDEE C=CCCOCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1705833101 UNRZUKRGTRHNCM-HXUWFJFHSA-N 423.514 1.411 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(CN2CCCC2=O)n1C[C@]1(O)CCOC1 1705863501 VOYUPYXEZJQOQQ-JOCHJYFZSA-N 411.506 1.745 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@H](C(=O)OC)C1 1705898806 YETOOJJBYWPVES-ZDUSSCGKSA-N 404.858 1.295 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CC2CCS(=O)(=O)CC2)C1 1705918461 JXOKDWHSECWHMB-KRWDZBQOSA-N 419.551 1.890 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1705936721 XBQXHJONGKPQSG-WBVHZDCISA-N 421.567 1.499 30 10 HDEE Cc1noc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)n1 1707943690 ICTFTSUPSCPKCQ-CQSZACIVSA-N 420.477 1.808 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1708620985 BRODGYSYUHFJKX-QAPCUYQASA-N 407.478 1.850 30 10 HDEE CCSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](C#N)C1 1710958254 YUGOKNWVYBAHTL-AWEZNQCLSA-N 401.496 1.797 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2(S(C)(=O)=O)CC2)cc1 1711774411 FFGJGCXAOGIVEP-INIZCTEOSA-N 417.491 1.260 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1CC1(O)CCS(=O)(=O)CC1 1722301280 WVJUXQSWSNCZQI-KRWDZBQOSA-N 416.547 1.575 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 1722331359 DXVGEQCDOSLWMN-UHFFFAOYSA-N 423.443 1.987 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C(C)C)N1CCOCC1 1722341809 MWHDNGBIUMLAQG-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1722345318 OQWUHNQTZIKCGS-CQSZACIVSA-N 405.524 1.233 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CCC1 1722373928 OILGUGXKCAFGLZ-PIIWDFAUSA-N 404.536 1.304 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1722417620 NKXILMQDYZRFNV-OALUTQOASA-N 418.586 1.488 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H](C2CC2)N(C)C)CC1 1722431116 GBQUUQZXXYMVEG-GOSISDBHSA-N 422.537 1.021 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NC(C)C)CC1 1722448526 YZNZDKZTNMNLAW-UHFFFAOYSA-N 402.543 1.357 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1722519206 ORHOZYJIYYDXNF-JXFKEZNVSA-N 419.551 1.871 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(Cn2ccnn2)CC1 1722532525 OOISOPKDXNXFOR-QGZVFWFLSA-N 414.514 1.330 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722593214 KEWXQTUMZCTKCW-HRAATJIYSA-N 418.542 1.746 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O 1722666493 OZTFDYACCSWDBF-UHFFFAOYSA-N 405.480 1.401 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCN(C(C)=O)CC2)C1 1722714423 MXNWRIIZGUDUON-ROUUACIJSA-N 416.526 1.269 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1728297307 DSGHYHVFNTXIGZ-SFHVURJKSA-N 417.535 1.993 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](CC(C)C)NC(=O)OCC 1729076584 CAFVGKWSXJXSKZ-HZPDHXFCSA-N 408.503 1.704 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740532088 CAHJAVFDNBLKPT-CHWSQXEVSA-N 411.478 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOCc1ccccc1 1740534019 WFYRHIWFSTWGLG-HZPDHXFCSA-N 405.524 1.563 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1740554181 XCWZPMHCTPTEND-LSDHHAIUSA-N 402.524 1.147 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2ncn(C)n2)c1 1740564686 UVEASMUQJJKPBV-MRXNPFEDSA-N 420.477 1.015 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(-c2ccccc2)no1 1740601820 ZTFHHZSKZAHQRR-AWEZNQCLSA-N 414.491 1.661 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)c1ccccc1 1740610102 SGOVTLHDOYAYKG-AEFFLSMTSA-N 417.535 1.484 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2CC2(C)COC2)CC1 1740706958 JTGAKRXQDKSPDB-UHFFFAOYSA-N 408.506 1.266 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CO)CC1 1740750153 MOBKNBJHKQSUOK-ZWKOTPCHSA-N 403.527 1.704 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCOC1 1740857118 DDBBGARTGJBHEE-VQIMIIECSA-N 412.556 1.514 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CC)C(C)C 1740992055 LXAUWCIZDMCULM-AWEZNQCLSA-N 404.558 1.016 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1741125198 KOZUZLBVPPRLIA-XAJHFOFHSA-N 410.522 1.979 30 10 HDEE CCc1nnc(N2CCCN(c3ccccc3C#N)CC2)n1C[C@]1(O)CCN(C)C1 1744676943 ABQRNPCZWUJTTI-QFIPXVFZSA-N 409.538 1.495 30 10 HDEE CCn1cnnc1Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1746365834 BRZSJKIQZNKPDQ-AWEZNQCLSA-N 412.429 1.385 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCO[C@H]1C 1748836240 SDDFSSBDVHUOGR-KSFYIVLOSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc2c1OCO2 1748875673 TUMNTQNEZOSGCC-PXNSSMCTSA-N 408.458 1.852 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CCC(=O)NC 1748922796 MKHBOZMZPIZVFU-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749038876 MKSKXWOLZSUPFH-DLBZAZTESA-N 405.568 1.889 30 10 HDEE C=C(C)COCCn1c(N2CCN(C(=O)[C@H]3CCCO3)CC2)nnc1C(C)(C)C 1749241007 BTSLTLJZKPEGBO-QGZVFWFLSA-N 405.543 1.996 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1749658877 XEMBATBUEUNVBC-KBPBESRZSA-N 415.885 1.011 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](COCC)C1 1749735475 USJJWCFAXMOBII-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE Cc1ccc(Cn2c(-c3noc4c3COCC4)nnc2N(C)[C@@H](C)CC#N)c(=O)n1C 1751518662 FTCMLQDGJJJXRO-AWEZNQCLSA-N 423.477 1.800 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1760129478 OQJISHRGPNCBEJ-OAHLLOKOSA-N 416.507 1.352 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1760160767 NOPONGYZVMXGIH-OAHLLOKOSA-N 409.490 1.964 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1760355293 DVCRGBJUFCUJFU-OAQYLSRUSA-N 413.526 1.629 30 10 HDEE C=CCN(c1nnc(Cc2csc(C)n2)n1CC(=O)N1CCOCC1)C1CC1 1760475138 VFICMQIEIPHYQW-UHFFFAOYSA-N 402.524 1.647 30 10 HDEE C=CCn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760513452 XVUGGWVKSBCYJR-SFHVURJKSA-N 413.544 1.023 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCCC2)C1 1760542020 CAQUPVSWYXTIGN-IAGOWNOFSA-N 424.567 1.657 30 10 HDEE Cc1nc(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCN(C)C2)cs1 1762271864 PHTZYMSUWGCJHR-FQEVSTJZSA-N 415.567 1.831 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)C(C)(C)C)CC1 1766870720 FTZAISTWLAKNPI-UHFFFAOYSA-N 423.521 1.600 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2CCCNC(C)=O)CCOC1 1767451076 MVIOINLKFVDRBF-WOJBJXKFSA-N 404.515 1.586 30 10 HDEE CN(C)C(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1768457156 HTXBMJWKQATXMP-QGZVFWFLSA-N 407.478 1.358 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1772842547 ZQAFJPOESKKATJ-ASSNKEHSSA-N 420.477 1.668 30 10 HDEE N#CCc1ccc(C(=O)N2CCN(Cc3nncn3-c3ccccc3F)CC2)nc1 1851575837 ARHYACRUPZXURI-UHFFFAOYSA-N 405.437 1.825 30 10 HDEE Cc1ccccc1N(C(=O)CN1CCNS1(=O)=O)c1nccc(N(C)C)c1C#N 1851661423 LWBODNIBIJUSPP-UHFFFAOYSA-N 414.491 1.142 30 10 HDEE CS(=O)(=O)N1C[C@@H](C(=O)NCC#CCN2CCCC2)Oc2ccc(Cl)cc21 1852655455 MUDLSUQNDSZVSR-KRWDZBQOSA-N 411.911 1.082 30 10 HDEE CN1CCN([C@@H](CNC(=O)Cc2cc3c(cc2C#N)OCO3)c2ccsc2)CC1 1853394267 LBNKCCABNJCLHF-SFHVURJKSA-N 412.515 1.996 30 10 HDEE Cc1oncc1CN1CCCN(C(=O)CCON=C(N)c2ccc(C)n2C)CC1 1853405720 RYJDLRKEIKBTKN-UHFFFAOYSA-N 402.499 1.391 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)c3cncc(F)c3)C2=O)C1 1854882124 KFDOEYVTWUTMDW-SFHVURJKSA-N 409.421 1.772 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)C(=O)C1 1855354407 JGNGGZXZRLRGLA-QGZVFWFLSA-N 405.520 1.253 30 10 HDEE CN1C[C@@H](C(=O)N2C[C@@H](C3CCN(Cc4ccc(C#N)cc4)CC3)CC2=O)CC1=O 1855875302 SNXKXGWWXJGQCK-PMACEKPBSA-N 408.502 1.624 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ncn3c2CCCC3)CCN1CCOc1ccc(C#N)cc1 1855880236 VKWICCKXVUWJAM-MRXNPFEDSA-N 407.474 1.843 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2c(Br)cnc3nccnc23)CCN1CCC#N 1856189081 HTBZHYBXMAGKLT-JTQLQIEISA-N 403.240 1.374 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)c2ccc(Cl)cc2)C1=O 1857145954 IWBZOCJYSQMHBK-QGZVFWFLSA-N 410.865 1.563 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCN(C(=O)C[C@@H]2CCC(F)(F)C2)C1=O 1857151602 WLTDDLRVIVPJPG-BBRMVZONSA-N 418.448 1.422 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3C[C@@H](CN4CCC(CC#N)CC4)CC3=O)n2)cc1 1857207917 OGSSZQKPGJNHAU-QGZVFWFLSA-N 407.478 1.585 30 10 HDEE CS(=O)(=O)N1CCC(C(=O)N2CC[C@H](C(=O)Nc3ccc(C#N)cc3)C2)CC1 1858385348 SWOIERDPZQVADC-INIZCTEOSA-N 404.492 1.017 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1 1860736187 BKWQZUUJNYSNFX-XVNBXDOJSA-N 416.455 1.046 30 10 HDEE C=CCNC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206818 WIKMXQQXGORKGK-NVXWUHKLSA-N 406.914 1.214 30 10 HDEE COc1cccc(-c2cc(C(=O)N[C@@H](CO)C(=O)Nc3ccccc3C#N)no2)c1 1867147017 VJPYTOITKWGFIU-SFHVURJKSA-N 406.398 1.951 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cc(C)cc(C)c2)[nH]1 1871548817 WNGJJAHSKKHENK-UHFFFAOYSA-N 417.521 1.790 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(C(=O)Nc3cc(OC)cc(OC)c3)CC2)CC1=O 1872917901 NHTPMUHQNWCBDX-MRXNPFEDSA-N 415.490 1.915 30 10 HDEE COc1cc(/C=N/n2c(SCC(N)=O)nnc2[C@@H]2CCCO2)cc(OC)c1OC 1874445357 XCZDSVWEFGDECY-AHURVMIPSA-N 421.479 1.615 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2)c1 1889659453 IBPRGDSWFFPRHB-MRXNPFEDSA-N 404.492 1.137 30 10 HDEE Cc1nn2c(=O)c(C(=O)N3CCC(CN(C)c4ncccc4C#N)CC3)cnc2s1 1891185659 LYKFTLVYWLDQMA-UHFFFAOYSA-N 423.502 1.715 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 1982304431 QTUXNGJCEAGXSO-NWDGAFQWSA-N 413.334 1.839 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](CO)[C@@H](NS(=O)(=O)CC2(C#N)CCCC2)C1 2172890929 CQTPDHQOZKVLBB-CABCVRRESA-N 401.529 1.608 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CCC(F)(F)C[C@@H]1C(=O)O)C(F)(F)F 2180571464 CDLMQLSHYWGGBO-ANLVUFKYSA-N 400.222 1.697 30 10 HDEE CN(C(=O)[C@](C)(NC(=O)C(F)(F)F)C(F)(F)F)[C@H](CC(=O)O)C(F)(F)F 2180575702 VRZHIWPIUSMZMN-VHWMUFPASA-N 406.201 1.850 30 10 HDEE N#C[C@@]12CN(S(=O)(=O)CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]1CCO2 2221962096 XZCXVXOHDXQBCU-IFXJQAMLSA-N 403.460 1.007 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(CNC(=O)C(F)(F)F)C3)c2)OC1(C)C 2243384048 IXYDJKBNHZKBJV-UHFFFAOYSA-N 418.246 1.798 30 10 HDEE CC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247816672 FLOQXTSJWKCBKP-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247858573 OUZLBGCBFMUSRY-ZDUSSCGKSA-N 420.319 1.666 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)N[C@@H](COCc2ccccc2)C(=O)O)OC1(C)C 2248568479 ZBJLOAUVBVSZRL-HNNXBMFYSA-N 415.255 1.109 30 10 HDEE N#CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258175261 LHDHLSATKYAKDT-RYUDHWBXSA-N 423.369 1.130 30 10 HDEE COCCSCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267370135 HISHAGJIQOSFQZ-UHFFFAOYSA-N 407.388 1.705 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCSCCCO)OC1(C)C 2267725850 FYUCVWFDTIHBLW-UHFFFAOYSA-N 407.388 1.441 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC[C@@H]3C3OCCO3)cc2)OC1(C)C 2282331308 MAECACRUXUYLJQ-QGZVFWFLSA-N 423.340 1.902 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCN1 2282349200 VSGIVWAWCUMVFQ-STQMWFEESA-N 400.375 1.714 30 10 HDEE C[C@H](CS(C)(=O)=O)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)c(Cl)c1 2282401747 WBABVZUROVROSD-LLVKDONJSA-N 401.721 1.802 30 10 HDEE C[C@@H]1OCCO[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282408792 KTRZBRSUTMGRCO-AAEUAGOBSA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCC[C@@H]3O)c2)OC1(C)C 2282414896 YWNYKOBUGABTHD-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1CO 2282494545 ZCAXQAYQWVHBGJ-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3CC[C@@H]3CN)ccc2Cl)OC1(C)C 2282498074 YNLGNMOMVMUUMW-ABAIWWIYSA-N 400.737 1.655 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C(N)=O 2282508884 CJAAOQHXIXWPPX-CYBMUJFWSA-N 402.709 1.181 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CO)CCCC1 2282831480 LECUDPFLYRZYCN-UHFFFAOYSA-N 401.359 1.939 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(=O)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2284403931 UMOGOCAOUUYBCQ-LBPRGKRZSA-N 401.315 1.497 30 10 HDEE NC(=NO)c1cc2c(n(C[C@H]3CC3(Br)Br)c1=O)CCC2 2294825282 JNYQXXVVPGSOQY-MRVPVSSYSA-N 405.090 1.938 30 10 HDEE CC1(C)OB(c2cccc(CCNS(=O)(=O)C3CC4(C3)OCCO4)c2)OC1(C)C 2295280924 HUMGNHFOXIROQG-UHFFFAOYSA-N 423.340 1.353 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC(CF)(CF)C(=O)O)c2)OC1(C)C 2295325069 ZSRZTLSESBCAPF-UHFFFAOYSA-N 411.257 1.088 30 10 HDEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2ccccn2)cc1 2296223428 SCZNUAJCCFDMJO-LJQANCHMSA-N 412.442 1.911 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2302859967 ROEXSBOVDXQUNU-CQSZACIVSA-N 413.283 1.835 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2N=Cc2cccc(O)c2)CC1=O 2327844297 TUCZUPKACLBRAP-CYBMUJFWSA-N 416.507 1.558 30 10 HDEE CCc1csc(C#C[C@@H](N)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338647113 MBFGHBFZEDUBMM-KGLIPLIRSA-N 401.554 1.712 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@H](NS(=O)(=O)N1CC[C@@H](C#N)C1)C2 2358233476 GPGPMCRUWRBDIP-RMEBNNNOSA-N 402.492 1.545 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367829983 FGCKCNJDCFUQON-OAGGEKHMSA-N 402.557 1.586 30 10 HDEE Cn1cnc(S(=O)(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)c1 2369893980 CVQJGNRTYJIGRA-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)cc1OC 20292609 BXVHLSDLGOLBES-UFFVCSGVSA-N 413.463 1.825 30 10 HDEE COCCN(C(=O)CCc1ccc(C#N)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 24694066 XOJOAYOZIJECAF-UHFFFAOYSA-N 413.478 1.259 30 10 HDEE C=CCNC(=O)CN1CCN([C@H](C)C(=O)N(C)Cc2ccc(OC)c(F)c2)CC1 27903777 OYXFJBQXCAXUGQ-MRXNPFEDSA-N 406.502 1.101 30 10 HDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)c3ccccc3)n2N)cn1 59914012 XTILUJHQDMGHIZ-DJKKODMXSA-N 400.468 1.256 30 10 HDEE CCOc1cc(/C=N\Nc2nc(C)c(CCO)c(=O)[nH]2)cc([N+](=O)[O-])c1OCC 169897836 VQBSVXGUQSMQRR-GRSHGNNSSA-N 405.411 1.765 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)/C=C\c2ccc(N3CCCS3(=O)=O)cc2)CC1 208915752 LEFFIQPIYKXAOT-NSDNCLLMSA-N 416.547 1.932 30 10 HDEE CCOC(=O)c1csc(C2CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC2)n1 410392646 ZQLDXWJDYJTBAP-GFCCVEGCSA-N 400.526 1.835 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2occc2C)c(=O)n1-c1ccc(F)cc1 440386957 UIDKVDOWJKUOKK-UHFFFAOYSA-N 411.458 1.969 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 446335846 BATXXYUVTFMMKR-UHFFFAOYSA-N 423.477 1.940 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NCC(=O)NCc1cnn(-c2ccccc2)c1 447048963 BNGZHRZURBWKBH-UHFFFAOYSA-N 412.457 2.361 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]1C1CCC1 460929330 DPTCBZJDMARFKV-SJORKVTESA-N 409.556 1.956 30 10 HDEE C[C@H]1C[C@H](CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@@H](C)O1 466812792 LYQPVSPQRUVNIB-BJWYYQGGSA-N 420.535 1.778 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC(N(C)S(C)(=O)=O)CC1 480129679 DAJRZHNRAMGXOL-GFCCVEGCSA-N 410.565 1.791 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3)CC2)cc1C#N 489110798 YFXZFSFRPOLCRY-UHFFFAOYSA-N 419.551 1.265 30 10 HDEE CN(C)c1ncccc1CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 505366433 MKZWYNSAWWBROX-QGZVFWFLSA-N 406.446 1.541 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(=O)n(-c3ccc(F)cc3)n2)CC1 506628333 SJBSUEIZQOPZNI-UHFFFAOYSA-N 404.405 1.601 30 10 HDEE C=CCn1c(-c2ccccc2OC)nnc1N1CCN(c2nccn(C)c2=O)CC1 508506226 PMXJGUIFPSAQSI-UHFFFAOYSA-N 407.478 1.560 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(Cc3ccccc3C)CC2)CC1 522307863 KZEDBXDQWPPHJV-UHFFFAOYSA-N 413.566 1.589 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 523706395 KLXKVNPNMKGAOD-UHFFFAOYSA-N 404.536 1.432 30 10 HDEE CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2(C#N)CCCC2)c1 532370152 WQHBSNYEDSZMJX-UHFFFAOYSA-N 406.508 1.399 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](C)c3cn[nH]c3)nnc12 533878766 SYCYEMAKEYYBFM-LBPRGKRZSA-N 409.475 1.923 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O 544202418 YSHNAAWJTSYRON-KRWDZBQOSA-N 422.441 1.444 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)CS(=O)(=O)N(C)C)c2)c1 544206429 YOHBJTBNIOJYMV-UHFFFAOYSA-N 400.456 1.703 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C(=O)Nc3cccc(N4CCOCC4)c3)CC2)n1 546909461 ILOZMWZOEUSHCG-UHFFFAOYSA-N 420.473 1.077 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@@H](C(=O)OC)C1 549274121 LGTLXQBMHQDIBY-QGZVFWFLSA-N 402.451 1.917 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 549657797 KFOHAXAKBUETHH-KDOFPFPSSA-N 413.544 1.239 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccn(Cc4ccccc4)n3)CC2)c1C#N 551613182 BUCZPGQRDMJFNL-UHFFFAOYSA-N 418.505 1.877 30 10 HDEE Cc1cnn(C)c1C=c1sc(=C(C#N)C(=O)C(C)(C)C)n(C[C@H]2CCCO2)c1=O 560429145 JGAIFDAADHEIKM-CQSZACIVSA-N 414.531 1.249 30 10 HDEE N#Cc1ccc(OC[C@H](O)CN2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 561950440 IOCINFNEMKVJLT-IPMKNSEASA-N 407.470 1.807 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2cc(C)ccc21 580603660 PAKVSXFDPPTEAU-QGZVFWFLSA-N 403.508 1.800 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCC(=O)N2CCc3ccccc3C2)CC1 608838339 LIMFZTANWUEUIK-UHFFFAOYSA-N 404.474 1.370 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCC(NS(C)(=O)=O)CC1 669807758 UAJXLVBAZUHETR-KRWDZBQOSA-N 403.508 1.658 30 10 HDEE Cc1c(C(=O)NCC#CCNC(=O)c2sc3nccn3c2C)sc2nccn12 681340081 XTEDLHSQRQBYGO-UHFFFAOYSA-N 412.500 1.885 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(Oc3ccc(C(N)=O)cc3)cc2)CC1 729370717 COVUKYWOIOJRJF-UHFFFAOYSA-N 420.469 1.085 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(N2CCCCC2=O)cc1 732453450 XLZRSIBMQMFWQX-FMQUCBEESA-N 411.462 1.529 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1F 732649204 QQMGFEFGYRBXAL-MRXNPFEDSA-N 408.499 1.669 30 10 HDEE CC(C)Cn1c(N2CCOCC2)nn(CN2CCN(C3CC3)[C@@H](C#N)C2)c1=S 732666247 MVOAZUMGAOJGOD-KRWDZBQOSA-N 405.572 1.536 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cnn(CCC)c2)c(=O)n1-c1ccccc1 735068971 JXSOZWXMCRUNRV-UHFFFAOYSA-N 421.526 1.535 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1[C@H]2CC[C@H]1CC(O)C2 736185853 DNMBBBLRMDGMJM-ZQIUZPCESA-N 405.520 1.654 30 10 HDEE N#C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CCN1C1CC1 743213093 OBYBJTRECWWOND-QGZVFWFLSA-N 403.508 1.579 30 10 HDEE Cc1c(NC(=O)[C@@H](C)OC(=O)c2cc(C#N)cn2C)c(=O)n(-c2ccccc2)n1C 751734935 ZPRMALGOMRFRJO-CQSZACIVSA-N 407.430 1.879 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 753914484 PVQJLGYTFRNIFW-UHFFFAOYSA-N 421.457 1.363 30 10 HDEE C[C@H](CC(=O)N[C@H](c1ccccc1)c1nc[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 756113485 ZIPXWJVHBIOWIA-FZKQIMNGSA-N 424.486 1.528 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(Br)cc2-n2cncn2)CCN1C1CC1 759075098 DOSRAKYMMSOGTI-AWEZNQCLSA-N 401.268 1.842 30 10 HDEE Cn1ccnc1[C@@](O)(CC(=O)N1CCN(c2cccc(C#N)n2)CC1)C(F)(F)F 761038076 PQXSZOQPQOPJRQ-KRWDZBQOSA-N 408.384 1.176 30 10 HDEE NS(=O)(=O)N1CCC(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)CC1 764753857 ZJNRTNXVZJTFIQ-UHFFFAOYSA-N 422.294 1.616 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)N1CCN(c2ncccc2C#N)CC1 767488817 AKLFTYPCNLJDTR-INIZCTEOSA-N 403.483 1.532 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 774263369 IIJZNVOOORBWOS-LZLYRXPVSA-N 423.922 1.444 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 774689685 RJJDHOOQHRMRAJ-MSOLQXFVSA-N 414.462 1.322 30 10 HDEE CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 774766531 RWNXJFHIDZIOHT-OAHLLOKOSA-N 417.940 1.245 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C2CC2)C1 777196905 COXYAQPLBMXXOS-QGZVFWFLSA-N 405.520 1.923 30 10 HDEE COc1cccc2[nH]cc(CCNC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c12 778066787 DPJYXVCMTKEHAY-UHFFFAOYSA-N 412.471 1.574 30 10 HDEE CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 784246965 YJGQOWIOFHVMSI-CQSZACIVSA-N 409.508 1.599 30 10 HDEE COc1ccc(S(=O)(=O)N(C)[C@@](C)(C#N)C2CC2)c(NS(=O)(=O)C(F)F)c1 789758066 DMJZNVVEBPRTPE-HNNXBMFYSA-N 423.463 1.972 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 790105072 PPEUXHXEJQXDLN-RYQLBKOJSA-N 400.479 1.055 30 10 HDEE O=C(OCCC#Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCCCS1(=O)=O 791836966 NXXRFOJRTCXALC-HXUWFJFHSA-N 405.516 1.771 30 10 HDEE CCc1cccc(F)c1C=c1sc(=C(C#N)C(=O)C(C)C)n(CCOC)c1=O 794582457 OTJCTOHFIUDRIX-UHFFFAOYSA-N 402.491 1.986 30 10 HDEE CN(C)S(=O)(=O)[C@H]1CCCN(CC2=CC(=O)n3c(nc4ccccc43)[C@@H]2C#N)C1 796129305 NYLZKTJRYAMVQW-JKSUJKDBSA-N 413.503 1.579 30 10 HDEE COC(=O)[C@H](NCCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(C#N)cc1 797861780 BKAUFPGGTQRYRO-GOSISDBHSA-N 405.451 1.822 30 10 HDEE CCS(=O)(=O)c1cccc(CC(=O)NS(=O)(=O)c2cc(C#N)ccc2C)c1 810586033 RYAATLWREHYKDX-UHFFFAOYSA-N 406.485 1.708 30 10 HDEE Cc1c(Cl)cccc1NC(=S)NN=Cc1nccn1S(=O)(=O)N(C)C 814721457 FHVUAQQKSNBGQR-UHFFFAOYSA-N 400.917 1.820 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CC[C@@H](Oc2ccnc(CN(C)C(C)C)c2)C1 856551529 UBQICWUFAYMFPC-LJQANCHMSA-N 409.556 1.855 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)COc1cccc(Br)c1C#N 1128109575 NHXFZMQUCKVZIC-ZBFHGGJFSA-N 413.268 1.636 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc2n(n1)C[C@@H](C)N(C(=O)OC(C)(C)C)C2 1132668616 YFNJNOWQMQSSHE-CYBMUJFWSA-N 405.455 1.551 30 10 HDEE CN(C)[C@]1(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)COc2ccccc2C1 1139811095 DDMBEPAAWSVZRB-RDPSFJRHSA-N 418.497 1.711 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)/C=C\CN2CCOCC2)cc1 1141821243 NJHONEXZVBHDSG-WQZBTAIASA-N 406.508 1.326 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cc(S(C)(=O)=O)c(OC)cc1N 1142858177 DMBVWEGFVAKTRW-UHFFFAOYSA-N 401.444 1.296 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(c2ncc(C#N)cc2Br)C1 1163204756 ANFCBGKUUORRIE-ZDUSSCGKSA-N 417.329 1.593 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)N2CCN(CC(F)(F)CO)CC2)c1 1163849580 LQKIQYJVQMRIEI-UHFFFAOYSA-N 415.444 1.951 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)[C@H]3C[C@H]3c3cccc(F)c3)CC2)c1C#N 1189271637 BIALZSJLXYHPBV-WMZOPIPTSA-N 403.483 1.747 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1192318872 RZSLKXCSKZQWTO-NSHDSACASA-N 401.282 1.386 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](c2nccn2C)C(C)(C)CO)c1 1211934190 RTCCWURFEWKAFF-INIZCTEOSA-N 406.508 1.374 30 10 HDEE C#CCN(C(=O)NCCNC(=O)c1cccc(Br)c1)C1CCN(C)CC1 1221689508 MOOBFOISCFOARG-UHFFFAOYSA-N 421.339 1.918 30 10 HDEE C#CC[C@H](COC)NC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1233926883 AANHNHIXTQONKL-JFIYKMOQSA-N 404.511 1.915 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1256021623 LPXDUDGRMUJADF-SOUVJXGZSA-N 415.498 1.624 30 10 HDEE CCc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)NCC#CCN(C)C)CC1 1256580626 VAGHHPKSLJPUIM-SFHVURJKSA-N 400.523 1.435 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(CC#N)c3ccccn3)cc2S1(=O)=O 1277788031 PMFGBDWTUUPQCL-UHFFFAOYSA-N 400.416 1.043 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1ccc(C)cc1 1286269158 CRWZFVISJGCNJJ-KRWDZBQOSA-N 408.506 1.710 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1286393930 MEXQXFGERFGCAS-INIZCTEOSA-N 420.510 1.858 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1286394965 QIGNDKCWQNZSPB-QZTJIDSGSA-N 422.551 1.225 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@H]1C 1286574136 UTCJZLWFAZGETM-XOBRGWDASA-N 403.483 1.948 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)N2CCC[C@H](C)C2)CC1 1286790590 GUMKUMJFIORRIE-INIZCTEOSA-N 402.543 1.618 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286831809 DEJUCBKUQNUXKE-CVEARBPZSA-N 406.556 1.647 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCC[C@@H]1CO 1290817028 VIUJJZGZLBLBHX-GOSISDBHSA-N 411.510 1.358 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(=O)NC)no1 1292701116 BLZIWZUENZIJDA-UHFFFAOYSA-N 408.466 1.577 30 10 HDEE Cc1nc(CNC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)[nH]c1C 1294514741 DFGHZBBTXJJNGO-HNNXBMFYSA-N 403.508 1.796 30 10 HDEE CCC[C@H]1C(=O)NCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1296004347 SWPGOLUIGCWEJV-INIZCTEOSA-N 405.296 1.884 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCCn1cnnn1 1300291170 RGHJNTCRIUAXBA-HNNXBMFYSA-N 410.482 1.887 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1300412226 ZLPAPVQPLUNOGK-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)OCCO2 1300465097 KVDZUBRRQZOTIG-MRXNPFEDSA-N 416.503 1.264 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300587058 HCNGIRFWMANEMR-QGZVFWFLSA-N 409.456 1.957 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCO[C@@H](C)C2)CC1 1300707451 ZTQKDDLFEURNKD-VQTJNVASSA-N 411.554 1.710 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCCSC)CC1 1300719976 XZUXHIMJWKNWAX-UHFFFAOYSA-N 415.567 1.788 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1301053401 NKYQDHUVIMSOSH-KRWDZBQOSA-N 424.484 1.861 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CS(C)(=O)=O)CC2)CC1 1301119968 CGUBWLQOGUVGND-HNNXBMFYSA-N 407.540 1.456 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1Cc1cnn(C)c1 1301296402 GOGDPOYTWUBNON-MRXNPFEDSA-N 417.514 1.991 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCC[C@H]1OC 1301297580 QEZRRCPTZDMQDY-XHSDSOJGSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N(C)CCCC(=O)NC 1301491405 IKYACCOZVFXIKA-UHFFFAOYSA-N 404.902 1.863 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1301503233 WQYWONOPLIUQHJ-ZDUSSCGKSA-N 416.448 1.284 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1OC 1301809723 POAMPRYUMZIBOX-QGZVFWFLSA-N 400.483 1.990 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1302034494 MQNNJQUROPWMLD-RBUKOAKNSA-N 416.522 1.705 30 10 HDEE CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC[C@@H](Nc4ccc(C#N)cn4)C3)ccc21 1303899089 LWGFKBVNUDROLH-MRXNPFEDSA-N 418.457 1.693 30 10 HDEE CC[C@H](C)c1nnc(N2CCCO[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1305505021 GTFNUMISZNEFTO-DXNFXHBHSA-N 402.499 1.933 30 10 HDEE C=CCc1cc(CNC(=O)N2CCC(CS(N)(=O)=O)CC2)cc(OC)c1OC 1311748717 SJLQWOVOJKPONW-UHFFFAOYSA-N 411.524 1.642 30 10 HDEE CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1314787244 FHWUJIKWKRJPOL-IBGZPJMESA-N 401.492 1.213 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1315817726 WWHUPIRRVZIVAO-KRWDZBQOSA-N 422.468 1.918 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)C1 1323729468 OUHWESNGHXFUSX-ZDUSSCGKSA-N 406.501 1.941 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1358890663 SSIANESGYSLNSJ-RCCFBDPRSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358912243 MPIQJRVZLFFRCP-DLBZAZTESA-N 409.556 1.841 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(O)cc1 1359024119 FOTCNDGBZJMTRN-QGZVFWFLSA-N 418.519 1.215 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)CN(C)C1=O 1359074529 HKPACTPCOLJRBY-LVNJIZSUSA-N 401.511 1.473 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1359135453 DNYOGHOYCRMKKT-MSOLQXFVSA-N 403.527 1.856 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359272221 NNYZTEKPAQXDEM-RJCBAWPRSA-N 412.494 1.877 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1359289283 SETYXLZBACLCIK-XOBRGWDASA-N 402.499 1.690 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](CN(C)CCC)C1 1359300316 ZBLIDWCFJCPNHT-QZTJIDSGSA-N 404.559 1.642 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2nnc(CC)s2)C1 1359320974 YJYZCCZNDAGKNJ-CHWSQXEVSA-N 403.512 1.473 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)CC)C1 1359324172 FBJOODSGUWCWTG-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1361266792 GAOFTMICSQWIMF-OLZOCXBDSA-N 410.525 1.035 30 10 HDEE CCOC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1439198269 BOHRJQAKXDJTPI-FUHWJXTLSA-N 422.503 1.995 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCSC[C@@H]3S(C)(=O)=O)n[nH]2)c1C 1444485137 IQZNMWMQEOQXRY-HNNXBMFYSA-N 409.537 1.636 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1)C1CSC1 1453165668 UVJDMYFVBOJZBP-GJZGRUSLSA-N 408.545 1.675 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H](CC#N)C(F)(F)F)cc1 1455983588 KISKNWJFJNXHSZ-GFCCVEGCSA-N 407.370 1.102 30 10 HDEE Cn1c(=O)[nH]c(NC[C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)c(C#N)c1=O 1458158920 AAGFTBAEYIGEBX-OAHLLOKOSA-N 423.395 1.449 30 10 HDEE CC(C)NS(=O)(=O)Cc1ccc(CNS(=O)(=O)CC(C)(C)CC#N)cc1 1462760965 CUHPJKVUWFXBKI-UHFFFAOYSA-N 401.554 1.874 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCN(C)C2CCN(C)CC2)c1 1464880992 MNTKLJXABIDYPJ-UHFFFAOYSA-N 405.564 1.582 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1464968707 MKLLBNXUMWMTSM-ZAHIEGGZSA-N 405.520 1.905 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1464994988 UGPOZYIRGLMEEW-MRXNPFEDSA-N 421.519 1.983 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCc2ccnc(-n3cncn3)c2)CC1 1471055420 JLUVXYRDJPPGGJ-UHFFFAOYSA-N 406.425 1.705 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C(C)C)cc3)CCC2)CC1 1471451451 SSBUDAJNMOJUAD-UHFFFAOYSA-N 403.548 1.844 30 10 HDEE N#C[C@]12CN(C(=O)NCC3(CCOCc4ccccc4)CC3)C[C@H]1CS(=O)(=O)C2 1478484297 PNCQGUSYKFSWGQ-GHTZIAJQSA-N 417.531 1.953 30 10 HDEE C=CCOCC(=O)NCc1nc2c(s1)CCN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1490145755 WJOLQRFIRSLWAB-LPWQZMBTSA-N 403.504 1.270 30 10 HDEE CCN1C[C@H](C)N(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1502256159 VJSPHMHOKJRAJH-KUOYXJDGSA-N 413.526 1.601 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NCc2ccccc2)C1 1505314537 FYRMKPFQINQYKQ-DYESRHJHSA-N 412.469 1.930 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(N(C)C)nc1 1507515807 ZVIBKKGAWADDCC-HNNXBMFYSA-N 404.478 1.893 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(OC)c2)CC1 1507723706 RGNUGKVWJDMZHC-LJQANCHMSA-N 408.506 1.236 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC2(O)CC2)CC1 1507742824 RBVBBMMYOVUITP-UHFFFAOYSA-N 407.518 1.668 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2ccnn2)CC1 1507843591 ZQYGJWWSZNBNAD-UHFFFAOYSA-N 411.514 1.779 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1507954084 KPPXIDQHKOGRMV-BRWVUGGUSA-N 410.540 1.531 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1508042033 SDMKCYFQLRCSIQ-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](C)S[C@H](C)C1 1508093064 SQJZTJWBKLZYSC-HZPDHXFCSA-N 403.556 1.772 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCc2ccn(C)n2)CCOC1 1508410805 GKKGGMXAWVVSIV-JXFKEZNVSA-N 401.515 1.891 30 10 HDEE COCCCn1c(Cc2ccncc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519075647 NLPDUYMWAFXRRS-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1519313678 CFKQQVUKUQNSPR-KGLIPLIRSA-N 402.455 1.182 30 10 HDEE C#C[C@H](NC(=O)CCS(=O)(=O)c1cccc(Br)c1)[C@@H]1CCCO1 1523759359 CIRGVWPSXMDFDQ-GJZGRUSLSA-N 400.294 1.910 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cc(Br)ccc2-n2cnnn2)C1=O 1530489312 BPNUVOCCRZMGTB-AWEZNQCLSA-N 405.256 1.284 30 10 HDEE CN(C)CCN1CCN(C(=O)c2cccc(COc3cccc(C#N)c3)c2)CC1=O 1531293297 GYLCNYOYGKHYTA-UHFFFAOYSA-N 406.486 1.983 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1534145476 JPFTZXILHYOTML-LJQANCHMSA-N 404.532 1.731 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1539003743 FYNZIUARUYXESM-WBVHZDCISA-N 415.519 1.551 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1539112037 GOXYGLOSAAXULK-QGZVFWFLSA-N 420.539 1.122 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H]1CC 1539126225 ULBNDOBCLKOOSI-ULQDDVLXSA-N 409.556 1.649 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(CNC(=O)C(F)(F)F)o2)CC1 1539674698 DMSOLIZJIFLZGX-UHFFFAOYSA-N 407.352 1.687 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1540036877 WDRDBJDZVDXYPN-IBGZPJMESA-N 423.521 1.968 30 10 HDEE C=C[C@@H](O)C(=O)NCCN1C(=O)S/C(=C\c2ccc(OCC)c(OC)c2)C1=O 1540635999 LXFDJOGUYBIMOT-YYTPVVGHSA-N 406.460 1.793 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@H](CC(N)=O)C1 1540867920 MBHCIFDAEYODSN-CQSZACIVSA-N 416.913 1.993 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1540870850 YKLNIJDCBXCSDH-KRWDZBQOSA-N 400.527 1.829 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1541998201 WMBHAZRQQQSEEI-HZPDHXFCSA-N 407.478 1.043 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCCc2ccc3c(c2)OCCCO3)CC1 1542894839 OYXCNGADMFADPH-UHFFFAOYSA-N 413.518 1.454 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cnnn2-c2ccccc2Br)CCN1C1CC1 1544371159 MUKRWIYXOSANHD-CYBMUJFWSA-N 401.268 1.842 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC(=O)N1C 1544754777 HSPMQYANUMXARO-VQIMIIECSA-N 424.505 1.679 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC(=O)N1C 1545061543 UAQPWUXOGKKJCK-AEFFLSMTSA-N 424.505 1.822 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1545086312 JTJRTKRSLANVAY-KRWDZBQOSA-N 415.396 1.518 30 10 HDEE C[C@H]1CN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)C[C@@H](C)O1 1545095962 FMOOBTJEFNPCEZ-KSVNGYGVSA-N 419.505 1.170 30 10 HDEE CCN1C(=O)[C@@H]2CN(c3nnc(C(C)(C)C)n3Cc3ccc(C#N)o3)CCN2C1=O 1547606361 UFHQFYVNUNUJND-HNNXBMFYSA-N 411.466 1.561 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(F)c1 1555556423 BCDXZBRVUMTSSW-QGZVFWFLSA-N 400.458 1.977 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CC(=O)NCC(F)(F)F 1555558556 WTKRBBKGHPQFHW-ZDUSSCGKSA-N 418.420 1.217 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1555958342 BSKUUWXKMUXSMJ-AOWPYAMASA-N 400.483 1.371 30 10 HDEE C#CCn1cc(CNC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)cn1 1556465608 OJPWIUZTIPBCHH-OAHLLOKOSA-N 403.508 1.205 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CN(C(=O)OC(C)(C)C)C1 1557815128 KMQQGATWTLJUET-INIZCTEOSA-N 407.511 1.696 30 10 HDEE C[C@@H]1CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1CNC(=O)OC(C)(C)C 1558640873 XGBNQIABDZXBGJ-FXDIGPMBSA-N 420.510 1.912 30 10 HDEE C=CCc1cc(CNC(=O)NCC2(S(=O)(=O)N(C)C)CC2)cc(OC)c1OC 1563814998 RQIFMGUYXOMVGD-UHFFFAOYSA-N 411.524 1.656 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1570257934 IOKLLUAOYIFYHG-UHFFFAOYSA-N 400.416 1.724 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(C)(N2CCCC2)CC1 1586688831 KUWQNZKZRNGCEP-MRXNPFEDSA-N 404.536 1.702 30 10 HDEE C#CCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)CCC(=O)NC 1587754826 OAFXKBDLKVHBOW-UHFFFAOYSA-N 421.505 1.568 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](OC)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1588065134 VAFQBINMZHFCOX-SZMVWBNQSA-N 408.568 1.918 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1CC1(S(C)(=O)=O)CCCC1 1588432822 IOKIIOMOTVRWJJ-UHFFFAOYSA-N 418.567 1.957 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCC[C@H]1OC 1589151342 XNZUAXMUGLHUPL-YIOZNXECSA-N 409.556 1.696 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1594713737 LDQJAWZHDIWZNS-UHFFFAOYSA-N 405.528 1.562 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)Cc1ccccc1 1594949017 PPINHYPFJZJBPN-INIZCTEOSA-N 403.508 1.466 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)N(C)C)C1 1595723068 QPGHJZQAZMWWDI-CVEARBPZSA-N 413.544 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c(N(C)[C@@H]2[C@H]3CCC[C@H]32)nnc1[C@@]1(OCC)CCOC1 1595831565 SFLYLHMYZVQBGN-NHAYFPRASA-N 424.567 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1C(C)(C)C 1595831773 VWUFUZUOHQGAPY-MRXNPFEDSA-N 422.555 1.278 30 10 HDEE C#Cc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1608227040 WYJQAZYQMNMYDA-SFHVURJKSA-N 412.490 1.747 30 10 HDEE Cc1nc(Cc2nnc(N3CC(=O)N(C)C[C@@H]3C)n2Cc2ccc(C#N)o2)cs1 1612397657 QEPMDBXPCGBVAO-LBPRGKRZSA-N 411.491 1.814 30 10 HDEE CCC(O)(CC)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCNS(C)(=O)=O 1613666557 HVYRZSLXGPZROC-UHFFFAOYSA-N 420.539 1.353 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c(OC)c1 1617795453 ZIFPDEBLTAQWQT-INIZCTEOSA-N 408.462 1.635 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)Nc2ccc(F)cc2)CC1 1620353098 FHBNDHMPDIPWPB-MRXNPFEDSA-N 411.441 1.747 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC([C@H]3COC(=O)N3)CC2)CC1 1620631259 QOQCONLLROCXQC-IAGOWNOFSA-N 417.535 1.277 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ncsc1Br 1621678713 BILKYAPWVPWXAD-VIFPVBQESA-N 415.356 1.411 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C(=O)N3CCOC[C@@H]3C#N)ccn2)CC1 1627866522 IGHCSVDCBXKCPC-INIZCTEOSA-N 401.467 1.503 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CS1(=O)=O 1628692230 MXBLJXLXLGZTAI-KWCYVHTRSA-N 409.895 1.646 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC2(C(N)=O)CCCC2)C1 1629011291 VFBKAYBBQSLMPN-UHFFFAOYSA-N 405.296 1.919 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C1CSC1 1629034052 QHDWCDWQKWDWKE-UHFFFAOYSA-N 407.561 1.024 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H]2CCC[C@H](OC)C2)ccc1F 1629158985 MQLXQDZSCZCBJS-UKPHBRMFSA-N 414.499 1.586 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)Cc2cccc(C)c2)s1 1632999607 UXIAGXRNLGZRHB-MRXNPFEDSA-N 408.545 1.783 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CC1 1635993286 LNVXKMUKTLMMBC-QGZVFWFLSA-N 422.570 1.552 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)NC)Cc2ccccc2)c1 1636097754 IXULPFARCRBUAW-UHFFFAOYSA-N 401.488 1.539 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@H](c3ccnn3C)C2)c1 1636795511 UDWKVTXDUIIZLN-APWZRJJASA-N 401.488 1.867 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](c2nccs2)C(F)(F)F)cc1 1637298777 XOIVZMLABMVGIK-LBPRGKRZSA-N 404.395 1.713 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](Cc3ccccc3)c3ccccn3)C2)c(=O)nc1O 1638837545 APUIGEPABAIDIE-LJQANCHMSA-N 416.441 1.766 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)cncc3s2)CC1 1640201472 HQMOUCSUWWJLRO-UHFFFAOYSA-N 421.320 1.566 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1=O 1640769054 OUHZHADDPBONCI-BRWVUGGUSA-N 405.495 1.548 30 10 HDEE N#Cc1ccccc1-c1ccc(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1 1644996199 GPZAGOLFGLFXFW-FCHUYYIVSA-N 411.527 1.501 30 10 HDEE CN1CC[C@@]2(CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)C1 1645749860 GLKXETLTQKLIJG-NQIIRXRSSA-N 401.580 1.875 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)c1 1646547000 XXNLTFFTBMNYMA-MRXNPFEDSA-N 412.389 1.479 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(CC(=O)Nc3cccc(C#N)c3)CC2)cc1 1648188256 AQKYJGOXSXAWJQ-UHFFFAOYSA-N 413.503 1.227 30 10 HDEE COC(=O)[C@@H](O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1653985875 FGAFNKJYVCRCSR-IRXDYDNUSA-N 417.462 1.433 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N(C)Cc2nnc3n2CCN(C)C3=O)c1 1654765545 HGAANDBPSNUGDD-QGZVFWFLSA-N 423.521 1.748 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1C#N 1659672356 IIZLUYFWPVKHBG-CYBMUJFWSA-N 419.322 1.685 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(C(=O)OCC)cc1 1661543963 GWFHONXFRWHTTR-MRXNPFEDSA-N 401.506 1.368 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCc1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1 1669019126 SLSIBRRZKCLTBV-KRWDZBQOSA-N 417.487 1.679 30 10 HDEE C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1684118286 UJQBGYFAYWPTCG-SKWUIDRYSA-N 402.520 1.866 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(Br)cc2N2CCOCC2)CC1 1685509377 RMVDKHBCIOMTGQ-UHFFFAOYSA-N 422.323 1.955 30 10 HDEE C#CCCCn1c(N2CC[C@H](N3CCCC3=O)C2)nnc1[C@]1(OCC)CCOC1 1689941840 VPRYNONRDHSMEC-UWJYYQICSA-N 401.511 1.545 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCNS(C)(=O)=O 1689960104 ZFXHZIXCXOFVDM-UHFFFAOYSA-N 413.507 1.140 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCS(=O)(=O)CC1CC1 1689973821 RNUZOWVZPLOYIN-UHFFFAOYSA-N 413.503 1.623 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1690126206 VSPNQJPJFGTCPB-QGZVFWFLSA-N 402.543 1.995 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1CCN(C(=O)COC)CC1 1690347343 ANUHZOCBJMJJBF-UHFFFAOYSA-N 419.913 1.925 30 10 HDEE C=CCNC(=O)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)C1CC1 1690660337 FFQCXODXXMDDAU-UHFFFAOYSA-N 417.539 1.447 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1)[C@H]1CCOC1 1696646480 AEVZUVQPGVVWBV-SFHVURJKSA-N 407.478 1.930 30 10 HDEE CO[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)CC[C@H]1C 1697679055 VNIXZTHGARFPPJ-APWZRJJASA-N 424.505 1.537 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705530003 QKGOUQAFPYRULE-UHFFFAOYSA-N 416.489 1.574 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 1705555236 DXPHFSSMRJCEOO-QGZVFWFLSA-N 415.611 1.977 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCC=C)[C@H]1CCS(=O)(=O)C1 1705560581 IESBLLZBOIYMOB-PXNSSMCTSA-N 422.551 1.523 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1705650390 QRMUNXJEEGDOFI-KRWDZBQOSA-N 414.554 1.357 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705754351 VYKFPVPZPDRMQJ-KRWDZBQOSA-N 422.961 1.669 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cccc(C(N)=O)c2)CC1 1705769193 LTFPFBMOPWTXGD-QGZVFWFLSA-N 415.519 1.484 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC(c2nc(C)no2)CC1 1705903480 WWAXQDHNAAZVCG-OAHLLOKOSA-N 401.471 1.160 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(N)=O)C1 1705939674 JKBFMNUXYHCGOE-CYBMUJFWSA-N 401.496 1.156 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(C)C)C(=O)C1 1705943595 FRSPWPHPNZMJNL-OAHLLOKOSA-N 406.556 1.453 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1722392985 XTYHRKQUHHOLEK-HSZRJFAPSA-N 423.517 1.492 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCN(CCC)C1 1722397055 MFKRXWUGRARNTO-RBUKOAKNSA-N 417.579 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1722397776 UBRAKXGWACCLBH-KRWDZBQOSA-N 419.551 1.264 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2Cc2ccc(C(N)=O)nc2)CC1 1722443853 CJFAFIOBMXJCNB-OAHLLOKOSA-N 423.521 1.300 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1722558309 KHSVULYOCWUCBB-KBXCAEBGSA-N 411.890 1.712 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1722696488 AEBNGPJCPYFYBB-ZDUSSCGKSA-N 424.431 1.110 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC(C)(C)OC[C@@H]1C 1722725841 UDVRRRBHLGDOIT-HNNXBMFYSA-N 405.524 1.945 30 10 HDEE CCCCN(C)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1728025877 MOJCRPNFTCKCCA-ICFOKQHNSA-N 403.487 1.179 30 10 HDEE COC[C@@H]1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730576759 VDEYIFJNHOFJGP-RMYFCYLKSA-N 400.483 1.545 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1740592712 FNNPOTYNHMZUNU-OAQYLSRUSA-N 407.566 1.894 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCn1cc(Br)cn1 1740612800 IXZNSDXQYARNEL-UHFFFAOYSA-N 420.315 1.519 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)N1CCc2ccccc2C1 1740638995 OXJFSAQRHVMKNY-RXVVDRJESA-N 416.529 1.749 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H](OCC)C(C)C 1740640484 OBXZQQYYDXEGJK-QZTJIDSGSA-N 406.552 1.704 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(N(C)C)CCSC1 1740660532 VBMUNEXITVXBEW-HXUWFJFHSA-N 413.551 1.822 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc(F)cn1 1740679685 GTSIYDXZGNYSCW-FQEVSTJZSA-N 403.458 1.599 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N(C)C[C@@H](C)C(=O)NC 1740763219 ZPPJRUKAWNDEHR-TVFCKZIOSA-N 405.543 1.972 30 10 HDEE C=CCCCn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@]1(OCC)CCOC1 1740881964 VVPSJWYIUVKJOU-FVJLSDCUSA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1740955144 WUHWNBOKPWSFIU-UHFFFAOYSA-N 407.478 1.224 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1740961234 PUKMMZVFRDTLPN-UHFFFAOYSA-N 424.505 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1Nc1cnn(C)c1 1740993039 RPLZSMAEBNJCED-UHFFFAOYSA-N 416.507 1.955 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1ccn(C)n1 1747193880 OZJRCXFFLQWQBR-UHFFFAOYSA-N 407.482 1.190 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(C2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747864354 XJWXJLKHBNSVDW-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1748667604 XAVSJQZASCFVDA-QTCYRWPVSA-N 408.462 1.592 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OC(C)C 1748772449 OJMNMWPHTLKOAS-OAHLLOKOSA-N 405.524 1.793 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1748784435 AHYGQWVAQHVBSX-UHFFFAOYSA-N 401.467 1.518 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@]1(O)CCOC1 1748831646 SEESGZRJULHWLR-FQEVSTJZSA-N 402.401 1.771 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(-n2cncn2)nc1 1748941072 WMEIWTINZQZJJB-HKUYNNGSSA-N 422.493 1.486 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CCc2ccc(OC)cc2)CC1 1748986844 JHWHAWYQDXUZNL-UHFFFAOYSA-N 405.506 1.685 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(C)CCC2)CC1 1749001105 IGLKDHCJLUHTOE-UHFFFAOYSA-N 400.527 1.572 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C)nc2)CC1 1749008964 DTROOUUDINZTNL-IBGZPJMESA-N 408.506 1.500 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1749130981 PBPVVTSLWNLQFK-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749189606 MOQYVOHPZRKDAQ-QZTJIDSGSA-N 402.543 1.839 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@](C)(CC)C1 1749735701 VAMMFMMUVGCTOB-VQIMIIECSA-N 412.556 1.778 30 10 HDEE C=CCSCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@]1(OCC)CCOC1 1749763889 MBYQODQJQIBGRS-FQEVSTJZSA-N 423.583 1.908 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ncccc1N(C)C 1749955210 STDBUFXYGFBAEK-MGPUTAFESA-N 417.489 1.953 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)C1 1750378328 HMQJJUJQGNQCRQ-LPHOPBHVSA-N 418.498 1.673 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC=C 1760175759 QSZKQQDSZSCKCB-QGZVFWFLSA-N 402.476 1.461 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C(=O)NC)C1 1760304685 CRTCVWMLAHBHQO-ZDUSSCGKSA-N 407.272 1.200 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C(C)C)N2CCOCC2)CC1 1760381332 IQZCMSHRXRNZCQ-GOSISDBHSA-N 404.559 1.930 30 10 HDEE C=CCCOCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1760452799 RWAKNHSAFIMVFE-MRXNPFEDSA-N 402.499 1.296 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]1c1csc(C)n1 1760521330 PYBWKEBFRZVHSV-DZGCQCFKSA-N 415.523 1.638 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccccn2)nnc1[C@]1(OC(C)C)CCOC1 1760528122 SNYBNZZBOBTJBW-NRFANRHFSA-N 414.510 1.652 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)nc2)C1 1760535014 KCPUIQNWHJSCAJ-WBVHZDCISA-N 420.539 1.421 30 10 HDEE CC1(C#N)CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2NC(=O)CC2(C)C)CC1 1761547311 ZWFAOVFKCXOZKJ-OAHLLOKOSA-N 413.526 1.445 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1762051029 JTIMXDLQDFLRGF-XJKSGUPXSA-N 417.539 1.667 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1767034539 IBURKYLJGAFHIQ-UHFFFAOYSA-N 416.429 1.755 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1Cc1ccoc1 1770045397 ZLDAMMALMGNAQP-QAPCUYQASA-N 400.483 1.820 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@@H]2C)cn1 1770206320 DZMZDTZQDADJPW-HNNXBMFYSA-N 417.473 1.936 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCCOCC(F)F)CCO1 1771537668 SJJFBAQFGITCIJ-GFCCVEGCSA-N 424.408 1.406 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)C1 1850794422 LDTDDKVEHVCUID-CYBMUJFWSA-N 401.419 1.440 30 10 HDEE N#Cc1ccsc1NC(=O)CN1CCN(Cc2cnnn2-c2ccccc2)CC1 1850868877 KOJMTMCPIDAAMB-UHFFFAOYSA-N 407.503 1.957 30 10 HDEE CN1C(=O)CC[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)[C@@H]1c1ccccc1 1851339845 FUNRBQIPFAEYDP-QUCCMNQESA-N 404.474 1.607 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c1C#N 1851951205 YVQQPYWMRJBGQX-GFCCVEGCSA-N 412.416 1.507 30 10 HDEE CC(C)(C)[C@H](C(=O)N1CCC(c2ncccc2C#N)CC1)N1CCS(=O)(=O)CC1 1852190241 LPNSJWQZPFWUKF-IBGZPJMESA-N 418.563 1.804 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)CC1 1852402998 APWFIHIKFIZMDZ-UHFFFAOYSA-N 409.229 1.704 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1852468582 NOAQJTGFWYGWMB-MJGOQNOKSA-N 422.441 1.674 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)N=c2ccc(N3CCOCC3)n[nH]2)c2ccccc21 1853060968 OFGZGJVFMZFTJB-UHFFFAOYSA-N 422.489 1.761 30 10 HDEE Cc1ccc(N2CCC(C(=O)N3CCC[C@@H](N4CCC(C#N)CC4)C3=O)CC2)nn1 1853735145 OUOOJGUPBQPZQL-LJQANCHMSA-N 410.522 1.755 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3csc(C)n3)C3(CCCC3)C2=O)CC1=O 1854106698 BLAIPZJHGZREKZ-INIZCTEOSA-N 416.547 1.970 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)CC4CC4)C3=O)CC2)CC1 1854366784 NVIOFNRDNGYHNA-IBGZPJMESA-N 400.523 1.778 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2Cc3ccccc32)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854631690 BAKCCEGOGZIHGW-KUHUBIRLSA-N 409.467 1.646 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@@H](N3CC(C(=O)N4CCCC4)C3)C2=O)cc1 1854851400 XJUMBDAJNJCOOE-HXUWFJFHSA-N 408.502 1.563 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3cncc(Br)c3)C(=O)C2)C1 1855002715 IJEBPWFKBJZESV-HNNXBMFYSA-N 406.284 1.116 30 10 HDEE Cn1nc(-c2cccs2)cc1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855072846 PCEHLFYSZUTGPA-HNNXBMFYSA-N 412.519 1.421 30 10 HDEE COc1ccc(C(=O)N2CC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)cc1C 1857120367 TUUIXPRKSKBADG-SFHVURJKSA-N 406.442 1.775 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)CCNC(C)=O 1868735166 CUUSBFSJKSBJAO-FQEVSTJZSA-N 415.490 1.366 30 10 HDEE C[C@H](NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1)C(=O)N1CCN(C)CC1 1868783486 RYAAEVQBCBJHCR-DOTOQJQBSA-N 403.552 1.303 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c[nH]nc3c2)cc1 1870143506 OWQKRRJMHQXQDV-UHFFFAOYSA-N 422.430 1.639 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc(N(C)C)c2)[nH]1 1871617956 IDHVQIJTPNTALW-UHFFFAOYSA-N 410.526 1.251 30 10 HDEE C=C(Br)CS(=O)(=O)N1C[C@@H](OC)C[C@@H]1CNC(=O)OC(C)(C)C 1982284019 VTHNIUODGXEFPP-NEPJUHHUSA-N 413.334 1.839 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 1982297995 LWVHDZJOMMXRDQ-NEPJUHHUSA-N 413.334 1.839 30 10 HDEE C=C[C@@]1(O)CCCN(S(=O)(=O)C[C@@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2074497062 AOUPLAZOOMERJA-RBUKOAKNSA-N 410.467 1.354 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NCc2cccc(I)c2)C1 2175851574 KVEONTOPFZIEOC-GFCCVEGCSA-N 405.261 1.861 30 10 HDEE C#C[C@]1(Oc2nc(Cl)nc3c2S(=O)(=O)CC3)CCN(C(=O)OC(C)(C)C)C1 2184477337 MZRRZGPHGWPYKA-KRWDZBQOSA-N 413.883 1.851 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243385137 DBSBYJVOOTVZGH-LBPRGKRZSA-N 408.308 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CC(=O)NC[C@@H]1C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243675602 YRLRCZVNKLYYOT-CYBMUJFWSA-N 409.292 1.026 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CC[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247822241 CYHGRIYYGMHTSB-ZIAGYGMSSA-N 420.319 1.505 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)n1 2247845100 MCNCWKMPABLZBK-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CO1 2247857357 GLHLVYJFALLNHP-GFCCVEGCSA-N 420.275 1.057 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)CO1 2247934852 GLHLVYJFALLNHP-LBPRGKRZSA-N 420.275 1.057 30 10 HDEE CC1(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc2F)OCCO1 2255747247 HRCUFSHFKRFWJH-UHFFFAOYSA-N 401.265 1.166 30 10 HDEE CN(CCS(N)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2267547562 MAHCLASYTJUZIN-UHFFFAOYSA-N 408.738 1.061 30 10 HDEE C[C@H](CNC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)S(N)(=O)=O 2281790284 SUVVIKPPXITGBW-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@@](F)(CN)C2)OC1(C)C 2282508643 ZEFZCNCQACXTIS-YGUOUDRMSA-N 404.338 1.296 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(CCO)[C@H]1C[C@H]1C 2282829527 GCMVMYYOOLZLFR-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H](O)C(F)(F)F)OC1(C)C 2282845786 ZGSYXLIJELMEMX-JTQLQIEISA-N 415.264 1.390 30 10 HDEE CCOC(=O)CCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855221 BAWXNJDXSHMQFZ-UHFFFAOYSA-N 403.331 1.669 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](N)CC(F)(F)C2)OC1(C)C 2282856293 QGZHKSYEHHGFAZ-JTQLQIEISA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@H]2C[C@H]2CO)OC1(C)C 2282866938 QWMVDRUWIZSCCO-NEPJUHHUSA-N 401.721 1.546 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282868327 LVQXNJOKDLIGQC-ZJWNCGCPSA-N 401.359 1.421 30 10 HDEE C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282874266 YBFHRGUQWDRJOB-NHYWBVRUSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H](CN)C3)ccc2Cl)OC1(C)C 2282882010 GDNGNMNSRDLRHM-LBPRGKRZSA-N 400.737 1.609 30 10 HDEE COC(=O)NC[C@H](C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2286119318 FAEYCZJNPHVGLE-JTQLQIEISA-N 404.319 1.070 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1nccs1)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2339662615 MAZOXUBNYFOCLF-QWHCGFSZSA-N 401.554 1.733 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)c2cnc[nH]2)OC1(C)C 2343822223 KOXLBSOEIRITOZ-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE CCN(C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2362574547 UPRGUPNNZBTWKO-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCC[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365179788 PTEXRPUCKZXIFU-OAHLLOKOSA-N 407.529 1.122 30 10 HDEE C[C@@H](C[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365248723 QESVTBXEUSHABE-UONOGXRCSA-N 405.513 1.976 30 10 HDEE CO[C@@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](O)C#CC1(S(C)(=O)=O)CC1 2367785471 DTBQLWMTFKBXTN-HOTGVXAUSA-N 401.525 1.590 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 2367807453 TUIWMARCZXHXRQ-KHYOSLBOSA-N 400.541 1.211 30 10 HDEE O=C(CSc1nnc(N/N=C/c2cccc(Br)c2)[nH]1)Nc1nnc[nH]1 21037855 PDFXIJFMJZSRRZ-FZSIALSZSA-N 422.272 1.862 30 10 HDEE Cc1nnnn1[C@@H](Cc1ccc(F)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 97366118 NVCNRKTXEFKBHO-IBGZPJMESA-N 420.452 1.520 30 10 HDEE N#Cc1ccnnc1-n1cnc(I)c1I 306368370 JZSOMKNHYSGYOZ-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 409488103 XVALDBJJPDKFRX-DOTOQJQBSA-N 414.915 1.308 30 10 HDEE C[C@H](C(=O)NC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)n1cnc(C#N)n1 409610469 FBTDWGWZMFMFDY-CJNGLKHVSA-N 422.411 1.919 30 10 HDEE CN(C)CCS(=O)(=O)c1ccccc1C(=O)Nc1cnn(-c2ncccc2C#N)c1 461758344 VLAYIMJYPXNBIZ-UHFFFAOYSA-N 424.486 1.727 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2nc(C(=O)OCC)cs2)c1 469973005 LQCGGDHQYVKKNF-UHFFFAOYSA-N 423.516 1.757 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CC1 476230169 SCHULAYCLLQDMT-GOSISDBHSA-N 415.469 1.309 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 482169736 KTLGRONWMLZNJN-KBXCAEBGSA-N 412.471 1.147 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)Cc2ccccc2)cc1 502472047 IBGUQLTZMDYTPE-SFHVURJKSA-N 408.483 1.757 30 10 HDEE Cn1nc(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c2ccccc2c1=O 504196207 SYSPMVAWMBFABF-LJQANCHMSA-N 415.453 1.659 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Cl)c3)CC2)n2ncnc2n1 507525340 DLKXRTJXDUKANL-UHFFFAOYSA-N 417.882 1.469 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 512186410 SQTGGOQHSJKDKI-UHFFFAOYSA-N 419.551 1.444 30 10 HDEE COc1cc(F)ccc1N1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 512408412 GURCBUYBFXUCSW-HXUWFJFHSA-N 417.529 1.649 30 10 HDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C2CC2)n1 538412302 SOCAYWRNWZYNEV-UHFFFAOYSA-N 411.487 1.681 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCOC1 549597899 IWNYRDHJFFQRIL-HZPDHXFCSA-N 413.544 1.050 30 10 HDEE COC(=O)CCc1nnc(NC(=O)N2CCN(c3snc(C)c3C#N)CC2)s1 564422836 ZTUIEUVSDJIFPT-UHFFFAOYSA-N 421.508 1.634 30 10 HDEE COCCN(Cc1scnc1C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 569978695 HAVDFWXQWJVBTA-UHFFFAOYSA-N 408.505 1.277 30 10 HDEE N#Cc1ccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c(C(F)(F)F)c1 571132059 VUBDUVKNDOSPJG-HOTGVXAUSA-N 403.426 1.164 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(Cc2cn(CCC#N)nc2-c2ccncc2)CC1 589518251 AQOCWYOMPDKRGT-UHFFFAOYSA-N 417.539 1.173 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2)nc1 608993747 GAHUNFJRORNBCN-UHFFFAOYSA-N 416.489 1.721 30 10 HDEE C[C@@H](O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 609885326 HRXYIARTCGGJJU-OAHLLOKOSA-N 405.520 1.578 30 10 HDEE CC(=O)NCC(=O)N1CCC[C@@H]1C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 611808043 PIZDIJNRXAQEJQ-MRXNPFEDSA-N 414.853 1.463 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 688527931 NATJCEDSPWGDOZ-UHFFFAOYSA-N 403.197 1.247 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 732465742 HWTOLGLBMWGVDE-WOOAAIBNSA-N 416.453 1.807 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccn1 732495830 HQXVELOIROQHDS-VQIMIIECSA-N 417.425 1.205 30 10 HDEE CCCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C(C)C)nc21 732665358 YYRSXOJCJJQWEK-HNNXBMFYSA-N 424.505 1.843 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)CCN1C1CC1 732701909 PGPXDEGMCVDHLQ-PMACEKPBSA-N 411.506 1.477 30 10 HDEE CCOCCOCc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732707843 GCGQCMIAQMJBDW-IBGZPJMESA-N 400.479 1.377 30 10 HDEE C=C(COC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)C(=O)OCC 734028236 GOBPWXIDDNSCJV-UHFFFAOYSA-N 403.478 1.170 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C)cc1 734917222 HPEMBRMMFPDQGZ-UGKGYDQZSA-N 421.453 1.946 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)O[C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)co1 756393172 GBSRMSCMGZNGNS-VIFPVBQESA-N 423.472 1.794 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](C)c2nc(C)c(C(=O)OCC)s2)CC1 756978899 QKRKWPMTPOFWHP-CYBMUJFWSA-N 406.508 1.860 30 10 HDEE CO[C@H](CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470367 HAILTALTDNMXDF-HXUWFJFHSA-N 422.437 1.744 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCO[C@H](c3cccc(O)c3)C2)c1 766794587 QGPOXFCYTNBHEF-IBGZPJMESA-N 400.456 1.517 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](Cc2ccccc2)C(=O)O)c1 767132371 GIPZIZUXTRBXQU-KRWDZBQOSA-N 400.456 1.271 30 10 HDEE CCCc1cccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)c1 774517525 WRIYZFIRKROFLQ-UHFFFAOYSA-N 408.527 1.221 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1 776115607 NQJZOIYPPIRLNK-GFCCVEGCSA-N 405.523 1.041 30 10 HDEE N#Cc1ccc(C2(C(=O)NS(=O)(=O)N3CCN(Cc4ccccc4)CC3)CC2)cc1 781464138 RTXIHSTVDPZLSD-UHFFFAOYSA-N 424.526 1.769 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1C#N 788272719 SOKHWKDTWOUEOI-INIZCTEOSA-N 416.478 1.699 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)OCC(=O)N(CCC#N)c1cccc(Cl)c1 790681797 FQNGEXBXOZVRRX-FQEVSTJZSA-N 417.849 1.743 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)CSc2nnnn2CC(F)(F)F)CC1 790842834 KDQAXVNSXSMRPL-UHFFFAOYSA-N 409.390 1.658 30 10 HDEE CC1(C)CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]2(CCOC2)O1 794316846 IWPVKDZTWIADAI-FQEVSTJZSA-N 421.519 1.302 30 10 HDEE CNC(=O)CNC(=O)c1cccc(NC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 800370278 FATOYGOYGDQSDV-UHFFFAOYSA-N 405.414 1.979 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 802603647 XFVYLAGQESFKLP-OAQYLSRUSA-N 412.494 1.982 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC/C=C\CNC(=O)OC(C)(C)C 807232333 WELSRNZAOKBUKI-GXMNPTEKSA-N 422.507 1.422 30 10 HDEE C#CCOCCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 810631390 TTYPBCGRWJMRHP-BUAHTRFOSA-N 405.450 1.659 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)c3ccc(C#N)cc3)c(=O)[nH]c21 916774561 RKZFPJOKQNVPOV-VMPITWQZSA-N 411.443 1.695 30 10 HDEE COCCn1cc(C=NNc2nnc(SCC(=O)c3ccccc3)n2N)cn1 1084180577 XTILUJHQDMGHIZ-UHFFFAOYSA-N 400.468 1.256 30 10 HDEE N#Cc1ncn(CCNC(=O)c2cnnn2-c2cc(C(F)(F)F)ccc2Cl)n1 1128719138 HZHWTQODZHAFQL-UHFFFAOYSA-N 410.747 1.833 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(C(N)=O)c(Cl)n2)CC1 1135982871 NXLIREBIYCECEH-MRXNPFEDSA-N 401.829 1.996 30 10 HDEE COc1ccc2c(c1)nc(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)n2C 1138513459 ONBOQMNRJORHDR-UHFFFAOYSA-N 416.434 1.948 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@]4(CNC(=O)C4)C3)C2)C1 1139541952 YINSABRKOMDWGD-FAALFERTSA-N 402.495 1.512 30 10 HDEE N#CCNC(=O)CNC(=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1140177892 UCORRLBCLHRDCV-JTQLQIEISA-N 413.219 1.460 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)C1 1163652065 JGWRFIQPMXNYGN-KRWDZBQOSA-N 424.482 1.440 30 10 HDEE C=C[C@H](C)ONC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1164413644 GLUBMACTZVNNKR-GJZGRUSLSA-N 409.508 1.692 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccccc1CNS(C)(=O)=O 1174978519 XDAXILHEKXTWKW-MRXNPFEDSA-N 409.508 1.981 30 10 HDEE CN(C[C@@H](O)CN(C)[C@@H]1CCN(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1175399333 KFQABVPUGKTRIS-ZWKOTPCHSA-N 402.495 1.823 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@H](NC(=O)COc3cccc(C#N)c3)CC2=O)C1 1179999846 FJPCYBJKXJKZMC-OAHLLOKOSA-N 414.462 1.273 30 10 HDEE C#CCN([C@H]1CCOc2ccc(Br)cc21)S(=O)(=O)c1cnc(N)nc1 1186995884 ASNXCTBLTUFJMA-AWEZNQCLSA-N 423.292 1.969 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)c1 1192493497 OUVXQWJEUHKFOI-INIZCTEOSA-N 410.492 1.334 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc(O)cc3)CC2)c1 1193904545 OTYBBHLJCBQRHD-UHFFFAOYSA-N 415.515 1.815 30 10 HDEE CN(C)CC#CCNC(=O)N1CCOC2(CCC(NC(=O)OC(C)(C)C)CC2)C1 1251707970 JJIFOKGEQITODA-UHFFFAOYSA-N 408.543 1.799 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](C)N1CCOCC1 1286290624 UFKRXEMGRDDCKO-CABCVRRESA-N 400.483 1.184 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1nnc2n1CCC2 1286307035 ZBFGZSQWQWQKGS-OAHLLOKOSA-N 407.478 1.910 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@H]2COCCO2)c1 1286311207 DUXMICTXTGMZCX-IBGZPJMESA-N 409.490 1.702 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1286378354 RIKJUXOVXVMNOJ-CQSZACIVSA-N 421.548 1.306 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccc2c1OCO2 1286398604 ZNXJMRUQDDEJFV-UHFFFAOYSA-N 414.425 1.775 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(SC)CCOCC1 1286409104 IDYQOXFVZQCWGB-MRXNPFEDSA-N 422.576 1.165 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NC(C)(C)C 1286424082 YEBNEBSEYMYHDX-JOCHJYFZSA-N 415.538 1.698 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC1(O)CCOCC1 1286428753 PTDBIYNFEOLISB-UHFFFAOYSA-N 408.502 1.882 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccc(C(N)=O)c1 1286515166 UBUAAXVOCFXCEW-JOCHJYFZSA-N 406.490 1.653 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@]1(O)CCO[C@H]1C 1286755991 FOCBDIPNIYKIBL-XOBRGWDASA-N 401.467 1.724 30 10 HDEE C#CCO[C@@H](C)C(=O)NCC(C)(C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1290859420 WZSJSXFYACDFLD-LBCBGTHCSA-N 402.535 1.829 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)Cn1cc(C#N)c(O)nc1=O 1292642199 SYGVHFVHIINQGT-UHFFFAOYSA-N 421.226 1.937 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2C[C@H]3COCC[C@@]3(C(=O)OC)C2)c1 1297332913 BXFKWQFDDQUFML-OXJNMPFZSA-N 405.472 1.135 30 10 HDEE CO[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)(C)C 1299678148 MQQVZYDAWXQJLF-XJKSGUPXSA-N 416.482 1.796 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(=O)NCC1CC1 1300319667 BVLBNUULDURSNW-CYBMUJFWSA-N 400.508 1.254 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(-n2cccn2)cc1 1300532179 PZQDTJHSUKTNMY-HXUWFJFHSA-N 413.485 1.730 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC[C@]2(CCOC2)O1 1300665976 QSKDDPVITATLPS-DBXWQHBBSA-N 404.511 1.596 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2COc3ccccc3O2)CC1 1300726776 QSJZLLAPCOWPLO-KRWDZBQOSA-N 409.490 1.646 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300755092 LBOMUTFXRXFCPS-OAHLLOKOSA-N 407.565 1.884 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC(OCC(N)=O)CC1 1300957224 QJRYKKXVKPBFOG-UHFFFAOYSA-N 409.494 1.563 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1301036991 OPBCFYHQXDEAEH-PMPSAXMXSA-N 408.934 1.529 30 10 HDEE C=CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1301305599 IAPNVBPXPQYBSK-FQEVSTJZSA-N 415.519 1.522 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1301423738 CEZGFYGLNSYXKX-KRWDZBQOSA-N 407.515 1.407 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]2CCC[C@@H]21 1301478488 LTAWQCZKTJUGIB-HOTGVXAUSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1301502637 NGVQWEFGSSZIJF-FQEVSTJZSA-N 416.913 1.526 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCn2ccnc21 1301806518 JHJGPZZUCLNVCX-MRXNPFEDSA-N 409.498 1.819 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCN1CCOCC1 1304856337 WEPLGZMSGHPAIH-UHFFFAOYSA-N 409.538 1.897 30 10 HDEE C#CCN1CCC[C@H](NCc2ccc(OCC(=O)N3CCOCC3)c(OC)c2)C1 1308521807 YRZNTYJCYYDUJI-IBGZPJMESA-N 401.507 1.120 30 10 HDEE CCOCc1nnc(N2CCN(c3ccccc3C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1314389053 ALYYGCRARRZNHQ-JOCHJYFZSA-N 423.521 1.491 30 10 HDEE COCCN(CCC#N)c1nnc(-c2c[nH]c3ccccc23)n1Cc1nncn1C 1316099784 CTQPHBWNXJGEME-UHFFFAOYSA-N 405.466 1.970 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCO2)CCN1C1CC1 1348740048 BJWOZQKVZQGKCM-ZWKOTPCHSA-N 413.526 1.260 30 10 HDEE Cc1ccc(C#N)cc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1349830689 QVWJUVDSLTYIIL-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2-n2cnnn2)c1 1350923557 JQPWJBRRINARSB-UHFFFAOYSA-N 405.374 1.263 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@@H](C)C1 1358943366 GQJZUSIYYVGWOQ-QGZVFWFLSA-N 405.510 1.722 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCN1CCCC1 1358946046 FWIGDXWGTSDPPJ-UHFFFAOYSA-N 405.506 1.747 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(-n2cccn2)cc1)[C@H]1CCS(=O)(=O)C1 1358963440 IBRCIPPSGODFDY-IBGZPJMESA-N 424.530 1.701 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCOC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1358966166 JBYRQADEDILPCA-AWEZNQCLSA-N 420.457 1.784 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC(=O)N1 1359017535 IOHFJSNYASVRQJ-GOSISDBHSA-N 424.480 1.458 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H](OCC)C(C)C)CC1 1359028083 GUJXGZPTENOBID-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](OC)c2ccccc2)CC1 1359035139 LZQHJSHDABRXKN-OALUTQOASA-N 408.506 1.372 30 10 HDEE C#CCSCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN2CCOC[C@H]2C1 1359053054 ZVYHAWWICDZSQL-MRXNPFEDSA-N 418.954 1.881 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1360476552 NRYXCYYMAYDVNY-NZKCYVOASA-N 413.482 1.784 30 10 HDEE Cn1cc(CCC(=O)N2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)nn1 1443672804 WXNIEZVDQWJNPM-QGZVFWFLSA-N 417.311 1.919 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC[C@@H](O)C3CCOCC3)C2)C1 1445710061 NTASAKZWPAHCMC-JWRWLIQVSA-N 407.511 1.677 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Cc3cc(F)cc(F)c3)CC2)C1=O 1449603264 JYYDXYGKHQVBHY-UHFFFAOYSA-N 405.401 1.723 30 10 HDEE Cn1cnnc1CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1450105948 CNDBOHNRRANFEQ-RDYUPDBUSA-N 402.499 1.651 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1451872131 UMNDVMZUIWNHOG-BBRMVZONSA-N 400.522 1.153 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nc(C(N)=O)cs3)C2)C1 1453582563 OJDXMWXZMLSUAX-DKXWOSEQSA-N 419.507 1.645 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)NCc1nc(C#N)cs1 1456479561 OSLXVJCQMKSHFV-RFUOJGKKSA-N 412.393 1.617 30 10 HDEE CCN(C)[C@H]1CCN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1457415574 QXOPZTVQUPPQHI-INIZCTEOSA-N 406.552 1.838 30 10 HDEE COC(=O)COc1ccc(C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1458002911 OCSNWBQHIKIMHU-UHFFFAOYSA-N 412.398 1.756 30 10 HDEE Cn1c(N2C[C@@H]3CCCC[C@]3(CNC(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1458733898 UBPBWBQKAVSLMD-QKKBWIMNSA-N 417.510 1.477 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1461163659 XEQRKXIIDYUKHI-INIZCTEOSA-N 413.293 1.279 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 1463689874 GVGGWQIZQUMSLT-QGZVFWFLSA-N 419.503 1.400 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1 1464249900 MUZMTEGVDVVFAI-CQSZACIVSA-N 411.437 1.891 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)s1 1467619132 YULWZPFEKLJDBD-CQSZACIVSA-N 422.454 1.908 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)[C@@H](NCC(F)(F)F)c1cc(Br)cs1 1468373886 RQWUJGXKFAGRGS-CBAPKCEASA-N 416.219 1.810 30 10 HDEE C#CCC[C@@H](O)CNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322241 RAZCXKHPBZVQDZ-IAGOWNOFSA-N 409.527 1.866 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)Nc2cccc(CC#N)n2)cc1 1471516752 HMQQBXYAFUSFMH-UHFFFAOYSA-N 402.432 1.241 30 10 HDEE COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C#N)n1 1472637441 DMVZPMQQOVPUPU-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE N#Cc1nn(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1[N+](=O)[O-] 1473064625 DNKRCDCJYZQQNQ-UHFFFAOYSA-N 410.221 1.714 30 10 HDEE CCOC(=O)c1nnn(C2CCN(CCC(=O)N(C)CCC#N)CC2)c1C(F)F 1473708145 YNOBLNIUUNSCQB-UHFFFAOYSA-N 412.441 1.791 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(C(=O)OC)c(C(F)(F)F)c2)C1 1475667107 BCHOKEUGVXHSTQ-LBPRGKRZSA-N 404.410 1.868 30 10 HDEE C#C[C@H](NC(=O)Nc1cnn(-c2ccccc2S(C)(=O)=O)c1)C1CCOCC1 1476192270 UGZKDEYGZWYELN-INIZCTEOSA-N 402.476 1.826 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1478552216 BDPPQFKTFUVJBY-UQDNXTENSA-N 414.524 1.166 30 10 HDEE Cc1cccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)n1 1492529592 BJPBJBSCGRDWPZ-HZPDHXFCSA-N 402.524 1.865 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CC1(O)CCC1 1502915090 HZPRICKEVZSYPG-INIZCTEOSA-N 413.478 1.900 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1)OC 1504579880 DHBKMSIHGZZXEI-IBGZPJMESA-N 414.510 1.247 30 10 HDEE COCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1504788281 LPVCDCGSHREVAS-CZUORRHYSA-N 402.496 1.147 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1507628239 HKDMDDUNANKISM-QGZVFWFLSA-N 417.535 1.503 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1507678680 BLIOHPPUKFCJPU-SUMWQHHRSA-N 411.553 1.317 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2Cc2cccn(CC)c2=O)CC1 1507725645 YHHKHTMFUMDMCV-UHFFFAOYSA-N 403.490 1.325 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC(=O)NC2CCCCC2)CC1 1507738748 XHRXWXFZWYFECE-UHFFFAOYSA-N 412.538 1.570 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC)CC1 1507797370 CXPGHVYQCQVKNV-RYRKJORJSA-N 416.526 1.173 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1508081696 MREDUFOUQHMDPV-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCCO[C@@H](C)C1 1508095823 WIJYPECBTLAHAR-KRWDZBQOSA-N 413.522 1.989 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCC2)CCO1 1521128496 DCZAEICIUYQMGK-SJORKVTESA-N 402.499 1.303 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCc3ccccc32)C1 1521843372 LQZXOGCEZOJEHP-MOPGFXCFSA-N 419.547 1.841 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)Cn3ccc(Br)cc3=O)C2)nc1 1527081504 BURPYIIKOKTQIZ-AWEZNQCLSA-N 403.236 1.557 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)NC[C@@H]1CCCS(=O)(=O)C1 1534772675 RLHCPELPNNUSRD-LSDHHAIUSA-N 401.529 1.905 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccccc1SCC(=O)NCCOC 1538379509 GKCDXPCLBMQKRL-UHFFFAOYSA-N 420.531 1.958 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)F 1539300602 VWHXTDRTCOAUJJ-HXUWFJFHSA-N 423.464 1.163 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC1CCCCC1 1539369995 RBAHUROCWNFPFR-HNNXBMFYSA-N 407.540 1.089 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CC12CCOCC2 1539401305 ZQXAMKIGLYIKAS-XMSQKQJNSA-N 418.538 1.833 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2C[C@@H]2C)CC1 1539470055 XNRHUWVZMYMPRO-CECAUBDESA-N 415.538 1.552 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1539524773 NWBFVZRFOMJXIY-OAQYLSRUSA-N 413.547 1.968 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1539556830 IADQCQAXHNZIOQ-OXJNMPFZSA-N 421.567 1.793 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCS(=O)(=O)N(C)C)CC1 1539898801 ZCHPMHBDLCIKJS-UHFFFAOYSA-N 421.571 1.434 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CC[C@H](CO)O1 1540064154 MEHVDZNCBFJCOC-LSDHHAIUSA-N 420.539 1.400 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@](O)(c2ccc(C)cc2)C1 1540853712 KLXZBAIHUPNNLK-DNVCBOLYSA-N 405.524 1.481 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1540892104 FOHFQBCSXGGLTI-FLPIEVNYSA-N 419.570 1.892 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(-n4cncn4)nc3)CC2=O)cc1Cl 1540971168 CHWJURZXQUDHAU-HNNXBMFYSA-N 421.848 1.857 30 10 HDEE N#Cc1cccc(OCc2ccoc2C(=O)NC[C@@]23COCCN2C(=O)COC3)c1 1544632606 KOOGTBMHUGCVIX-NRFANRHFSA-N 411.414 1.088 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1)N(C)C 1544713975 LTXIUDGMYLPGEK-LVCYWYKZSA-N 423.565 1.924 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1547250399 FMILUHKMWQUPFS-UHFFFAOYSA-N 421.461 1.908 30 10 HDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@H]2C)CC1=O 1555597054 GUHUEXQBDDMJDO-QAPCUYQASA-N 410.478 1.605 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O 1557384412 OLNPMCDTOKDBLN-LJQANCHMSA-N 404.426 1.322 30 10 HDEE C#CCN(CC(=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1557731988 ORULITBLLINBJZ-QHCPKHFHSA-N 415.534 1.952 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC[C@@H](O)COCc3ccccc3)CC2=O)cc1 1557769971 DXDQBEGULLJULY-PZJWPPBQSA-N 407.470 1.995 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(O)(c3ncnn3C)CC2)CCCN1C(=O)OC(C)(C)C 1558183002 XHJRTLFFVGPSRL-FQEVSTJZSA-N 417.510 1.418 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3ccc(F)c(F)c3)CC2)C1 1558605886 FHUKZWMTGPLBRB-UHFFFAOYSA-N 414.430 1.498 30 10 HDEE Cc1ccc2[nH]c3c(c2c1)C[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)CC3 1564436631 HZXNUSFRNHLWPQ-CQSZACIVSA-N 406.446 1.467 30 10 HDEE C=C(C)[C@H](NC(=O)NCCS(=O)(=O)N=S(C)(C)=O)c1ccc(F)c(F)c1 1564595680 CJSAYHRHAITUJG-AWEZNQCLSA-N 409.480 1.939 30 10 HDEE CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1565004967 HCKWTEFIYAXLQI-VQTJNVASSA-N 402.539 1.980 30 10 HDEE COCCN(CCC(=O)OC)C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1565686806 SVCUBWFCINKHDP-UHFFFAOYSA-N 424.295 1.795 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCCNC(=O)c1ccc(O)cc1 1566369359 BVVDBIUOWQBQNU-UHFFFAOYSA-N 418.247 1.951 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)OC(C)(C)C)C1 1566741005 NZYWLFFSWCCOGM-CYBMUJFWSA-N 412.512 1.465 30 10 HDEE C=CCC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C(=O)OCC 1569183819 DWLMOXHKEKEXEG-MRXNPFEDSA-N 410.492 1.804 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1570226600 ACMAEWLBGPTERR-CABCVRRESA-N 412.895 1.272 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCSCC1 1585296678 MHTHRKXWSKCMBO-PFONDFGASA-N 409.508 1.484 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)OC)c1 1587684105 SKTGYXOVDSMLDV-MRXNPFEDSA-N 424.505 1.605 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1588045332 JEMOCTNDDHGVBT-KRWDZBQOSA-N 418.567 1.251 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)N(C)CC)[C@@H]1CCS(=O)(=O)C1 1588045785 QNKSZEUBXWQEDT-QGZVFWFLSA-N 415.519 1.050 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1588074267 LQZXQWCMDNQHLQ-BBWFWOEESA-N 422.551 1.429 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCc3nc(COC)nn3C2)CN(C(=O)OC(C)(C)C)C1 1588140913 WHRTWIVZJQXKPA-AWEZNQCLSA-N 405.499 1.669 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1588645888 DYTMPHFPVVQOAK-OALUTQOASA-N 405.543 1.225 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnc(C)s2)CC1 1588732433 ACPAOUBAWNDONZ-UHFFFAOYSA-N 422.518 1.494 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)Cc1ccc(OC)cc1OC 1593625273 OVNXRXDHNWJOSM-KRWDZBQOSA-N 415.494 1.821 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1593770109 WIGFYLZFTOBGLH-OXJNMPFZSA-N 407.515 1.225 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1595523552 YIXYVMYEAVDAJH-KRWDZBQOSA-N 411.510 1.527 30 10 HDEE C=CCOCCCC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1611545449 BUAGHEIWIIDSFU-HNNXBMFYSA-N 404.529 1.510 30 10 HDEE Cc1c(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cnn1C 1611892243 RVUPNUUKDVWWEI-XLIONFOSSA-N 415.498 1.138 30 10 HDEE Cn1cc(C[C@@H](CO)CNS(=O)(=O)c2cccc(Br)c2C#N)cn1 1622299740 CFCSSPDUBBGMFE-GFCCVEGCSA-N 413.297 1.184 30 10 HDEE CN1CC[C@@H](N2CCC(NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1623638691 LPTQPYFKMMOYOL-IAGOWNOFSA-N 421.542 1.385 30 10 HDEE C#C[C@](C)(CC)NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 1624414721 GSQFUIFODFPMST-GOSISDBHSA-N 411.480 1.922 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(c3ncc(I)cn3)CC2)cn1 1631573511 USOOTWIUNABIMX-UHFFFAOYSA-N 419.226 1.420 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCc1cn(C(C)C)c(=O)nc1O 1632997553 NKFTVEZMTHFCCV-UHFFFAOYSA-N 409.450 1.310 30 10 HDEE CCNC(=O)OC[C@@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635234427 CHZJDVQLCDKYNJ-ZDUSSCGKSA-N 411.455 1.864 30 10 HDEE CCS(=O)(=O)C1CN(C(=O)c2cn(CCC#N)nc2-c2ccc([N+](=O)[O-])cc2)C1 1635437993 PAAVDTCNJBIMBG-UHFFFAOYSA-N 417.447 1.631 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2c2ccc(F)cc2)c1 1635688715 SANQCRVJRQUZGE-IBGZPJMESA-N 402.447 1.951 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(=O)(=O)CC)C[C@H]1C 1636180287 LYIUVAYFYRLIHG-HUUCEWRRSA-N 401.529 1.176 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCc3ccc(S(=O)(=O)NC4CC4)cc3)CC2)C1 1636304639 RSSINLJEEYFYFX-UHFFFAOYSA-N 418.515 1.924 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCn2ccc(C(F)(F)F)n2)s1 1637344201 KYIUGCGJIFBBFC-UHFFFAOYSA-N 422.454 1.787 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](N3CCCC3=O)CC2)cc1 1639120452 ZGNAGMSKQQOHCH-QGZVFWFLSA-N 403.504 1.215 30 10 HDEE NS(=O)(=O)C1(C(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CC1 1639783138 XESZYNIUGXSGOT-PHDIDXHHSA-N 416.290 1.437 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3C[C@H]3[C@@H]3CCCO3)CC2)cc1 1640356383 VRAJSMHITJHOCQ-QRVBRYPASA-N 403.504 1.643 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(C)sc2-c2ccccc2)CC1 1643372506 OLOGGEDLOYBTNY-UHFFFAOYSA-N 404.517 1.344 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)s1 1644315971 YCNXRUQAADTQIN-OAHLLOKOSA-N 421.544 1.647 30 10 HDEE Cn1c(=O)[nH]c(N[C@H]2CN(C(=O)OC(C)(C)C)CC3(CCOCC3)C2)c(C#N)c1=O 1652214687 KRCPYCSQTVRXFF-CYBMUJFWSA-N 419.482 1.163 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCc2ncc(Br)n2C1)C(=O)OC(C)(C)C 1653640406 XVEILLWBFZTFRO-GFCCVEGCSA-N 411.300 1.947 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cn(-c3cccnc3)nn2)c(=O)c1C#N 1654530669 DYBMFSGKCKVLAA-UHFFFAOYSA-N 414.223 1.459 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1ccc(C#N)cc1 1660572836 XOONCOBYJFXWMI-KRWDZBQOSA-N 423.535 1.900 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1664406909 HHBSFEFLJJOUTG-OAHLLOKOSA-N 402.538 1.683 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)c2ccc(C#N)s2)C1 1671386549 AGKFEELMMOPOEE-INIZCTEOSA-N 401.510 1.924 30 10 HDEE C#C[C@](C)(CC)NC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1672504946 AEXLNAXMHHIUDZ-RHSMWYFYSA-N 413.521 1.075 30 10 HDEE N#Cc1ccc(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1 1673351263 LHODFTIATFLGGB-DOMZBBRYSA-N 402.398 1.604 30 10 HDEE CN1C(=O)[C@H](NC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2ccccc21 1679943797 BTFJKLGMYZVWPJ-OAGGEKHMSA-N 413.478 1.632 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NC[C@@H]2CCN2C2CCOCC2)C1 1679944743 PUXQMANYLHBHFM-XIRDDKMYSA-N 407.515 1.298 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCNC(=O)[C@H]1c1ccc(Br)cc1 1682795419 WMPWGDNKUMZOMB-MRXNPFEDSA-N 407.312 1.587 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CCO2)cc1 1684465441 YTNUFTXIYDEVIA-FGZHOGPDSA-N 421.501 1.937 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCOCC2)nc1 1689847130 STWNSNZNHHNLKC-INIZCTEOSA-N 404.478 1.473 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1689859328 YOTMNFZDZOMSMD-QAPCUYQASA-N 424.505 1.518 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1690059349 OGEVKCNCJHYVHV-CABCVRRESA-N 424.596 1.712 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCC(=O)NC2CCCCC2)CC1 1690120022 CBHXEQWWUOKHPQ-UHFFFAOYSA-N 423.565 1.878 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2CCCNC(C)=O)CC1 1690133570 LPKHFHQBQIVRDP-UHFFFAOYSA-N 414.485 1.278 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCOCCN(C)C 1690203207 UJGKHYSALFBONN-OAQYLSRUSA-N 414.510 1.576 30 10 HDEE C=C(C)CN(CC)c1nnc(CNC(=O)c2cccs2)n1Cc1ncn(C)n1 1690271246 IWHOERCPIWCULF-UHFFFAOYSA-N 400.512 1.849 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690485471 UHIFZLQVWMMGOB-ZWKOTPCHSA-N 423.583 1.305 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1[C@H]2CCC[C@H]12 1690675212 SCFOIKHICRQAQL-KBPBESRZSA-N 414.535 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1690724323 MBFYPJNCHSVKMG-HZPDHXFCSA-N 420.539 1.110 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2c(ccnc2O)C1 1690724736 VQTSFCYINIZDRP-OAHLLOKOSA-N 419.507 1.046 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1695424602 FMEGEEAMPXQADP-OAHLLOKOSA-N 409.494 1.400 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)cc1 1705542063 XUQKLUQNJKWWGP-OAHLLOKOSA-N 405.524 1.793 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1705567043 SRRZTYALLIOSEE-GOSISDBHSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2cccc(OCC)c2)CC1 1705632445 QJLSBVCUVQUDCO-UHFFFAOYSA-N 424.549 1.813 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@@H]1OC 1705709619 BXEIZNCFLICOLN-JYJNAYRXSA-N 415.560 1.342 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2CCc3ccccc32)CC1 1705730639 LQVONGIGDBNMDM-UHFFFAOYSA-N 424.549 1.891 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCc2nn(C)c(=O)cc2C1 1705736489 UKCJPGLUYPBSAP-UHFFFAOYSA-N 421.505 1.898 30 10 HDEE C=C(C)COCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1705740759 WFOLWRUHBMHHJI-WIYYLYMNSA-N 421.542 1.044 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](C(=O)NC)C1 1705752910 KQDFMBPSOOIRIK-LBPRGKRZSA-N 406.874 1.721 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC=C(COC)CC1 1705830468 QGSMZELERYOIOD-QGZVFWFLSA-N 410.540 1.556 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1Cc1cn(C2COC2)nn1 1705836114 GIMJODULMBXSPQ-UHFFFAOYSA-N 411.466 1.796 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC 1705879560 CZFOISXKHIGTNH-IRXDYDNUSA-N 407.515 1.204 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1705903036 OWQWQNSHYVBASH-HNNXBMFYSA-N 401.471 1.507 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2occc2C)C1 1705925124 LKJKSKSJKHYPKM-HOTGVXAUSA-N 406.508 1.911 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(F)F)CC1 1705939488 FMCAODRNZUQRNK-UHFFFAOYSA-N 402.515 1.723 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)N(C)C 1706783255 IBLNHCSTFINNCO-OLMNPRSZSA-N 409.494 1.702 30 10 HDEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1706814311 VGKIVOSOJFONTR-SJLPKXTDSA-N 410.526 1.673 30 10 HDEE Cc1nnc(N2CCCN(c3ccccc3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1707904623 FEABHNHXYFQVFB-MRCUWXFGSA-N 421.505 1.830 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CC(=O)NCc2ccco2)c1 1712879082 XPHBZRJFTRSKHV-UHFFFAOYSA-N 420.473 1.935 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2CCCCN2CCC[C@H]2CO)CCO1 1712884244 JCHGOLLLLUUKQK-OALUTQOASA-N 402.543 1.901 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccc(F)cc1 1722352322 NZWUWFXKOVECJB-KRWDZBQOSA-N 421.498 1.062 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)c1cccs1 1722404770 FJABXLUSDRZBAF-HXUWFJFHSA-N 417.535 1.881 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cccnc2OCC)CC1 1722439618 IZIMPMDFHLKYNL-UHFFFAOYSA-N 417.517 1.861 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722442082 XTOSICBPIFXIGP-MRXNPFEDSA-N 414.554 1.456 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1722454612 FDFVISVXRLKYIH-MRXNPFEDSA-N 420.564 1.225 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)CCOc1ccccc1F 1722697071 FKVCNFCZLSJPRC-UHFFFAOYSA-N 411.441 1.692 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)C1CCC1 1722698055 BNEOIYKCUAODMH-UHFFFAOYSA-N 410.526 1.743 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(C)C)C1 1722701725 AYAYZLWBNRVVLI-LJQANCHMSA-N 424.505 1.892 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)c1 1730232330 FXLUSSXCTRDFCW-UHOSZYNNSA-N 413.478 1.734 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCC1 1730878887 XOMZTUBECKXWRX-DLBZAZTESA-N 406.531 1.605 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)CC#N)CCOCC1 1730881874 XJSAQSPPPCLXKI-IAGOWNOFSA-N 407.515 1.733 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1ncn(C)n1 1730935422 GOPWALDWRJPSGC-HKUYNNGSSA-N 422.493 1.687 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(Cl)c2)CCO1 1731185783 DQFGMUOGJNUFLB-INIZCTEOSA-N 400.870 1.945 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1740555104 ARFMEKAJVLNRRZ-CZUORRHYSA-N 422.580 1.516 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]2CCC[C@@H]21 1740575858 WIROGTNXVSEEFD-SQNIBIBYSA-N 421.567 1.793 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CCOC)[C@H](C)C1 1740598393 OOGJAXBVTROUKO-QYZOEREBSA-N 405.543 1.572 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1740601234 YGNMFXDYRMONMQ-SIKLNZKXSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1740624890 MNMAITFGNNJIJC-JLJPHGGASA-N 419.576 1.917 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1Cc1nnn(C)n1 1740632733 WDIOYZQKAIPQKD-CQSZACIVSA-N 410.869 1.716 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccn2C)n1C[C@H]1CCCN1S(C)(=O)=O 1740651397 CLWPOXLHPCBZDJ-QGZVFWFLSA-N 414.535 1.171 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1cn2ccsc2n1 1740687543 AHZAVODUQRSHGN-UHFFFAOYSA-N 424.534 1.983 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@H]1CCOC1 1740731967 NGWBUFXRXPNOCU-FUHIMQAGSA-N 422.551 1.368 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1740742156 DVNOBAZUHQEJLN-CYBMUJFWSA-N 404.272 1.463 30 10 HDEE C=CC[C@@H](Cn1c(C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1740853413 CSHASQRFSORRBB-IBGZPJMESA-N 421.509 1.282 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1740964457 PFDHVSMIMUJMPD-ZDUSSCGKSA-N 405.421 1.665 30 10 HDEE C=CCNC(=O)Cn1c(N2CC=C(COC)CC2)nnc1[C@]1(OCC)CCOC1 1740964757 HUJKXXODGXWHOJ-FQEVSTJZSA-N 405.499 1.015 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2C[C@@H]3CCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1740994353 PXZLFDYCFAATMZ-SQGPQFPESA-N 424.567 1.908 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H]1c1nncn1C 1740995390 JWOOJAYTONPRDG-HNNXBMFYSA-N 416.555 1.903 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@](C)(O)C2CC2)CCO1 1741103689 DHFAINIDUIOJNG-SIKLNZKXSA-N 424.505 1.319 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1CCN/C(O)=C1/N=CC=CC1=O 1741130688 ZWCYAGKQSMZQRF-STGLLQLASA-N 408.466 1.406 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CC#C)CC1 1748706132 ALVOFXWSTNZFIG-UHFFFAOYSA-N 415.505 1.480 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1CCOCCS(C)(=O)=O 1748886511 FNINXNUOVUHPEG-UHFFFAOYSA-N 415.519 1.173 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCc2nn(C)c(=O)cc2C1)C(C)C 1749553155 OWMPVQYOGCEZOJ-FQEVSTJZSA-N 411.554 1.942 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccnc(SC)c1 1750005647 CNYMYTQUNYKQSF-GDBMZVCRSA-N 418.523 1.896 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CC2(O)CCOCC2)CCOC1 1750062184 VFJWGERFAFBQSW-JXFKEZNVSA-N 407.515 1.456 30 10 HDEE N#CCC1CCN(c2nnc(Cc3cccnc3)n2CC(=O)NCC(F)F)CC1 1750389510 AGWHAUBVCGYKLA-UHFFFAOYSA-N 403.437 1.775 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)C1 1751276662 KVAYEEKUEISLTN-MLGOLLRUSA-N 400.405 1.938 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760098399 RXXONUZYQNITCO-QWHCGFSZSA-N 411.478 1.867 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCOC[C@@H]1OC)[C@@H]1CCS(=O)(=O)C1 1760182130 GWEITJUBEQRMKV-BBWFWOEESA-N 410.540 1.080 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCCCNC(=O)OC(C)(C)C 1760193679 MFXWGBWAORRSRD-UHFFFAOYSA-N 416.526 1.794 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760260738 AELGOKCUUCDLCN-HXUWFJFHSA-N 416.614 1.979 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CN(CC(C)C)CCO2)CC1 1760260768 BDONTOBWSJEXME-HXUWFJFHSA-N 402.587 1.589 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CN1CCOCC1 1760293889 HLWZEDUPSAGYBS-LLGFUMIMSA-N 400.527 1.190 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760324743 MDPBEVZNQGWLCY-MDKPJZGXSA-N 410.522 1.912 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1n[nH]c(C)n1 1760504159 WDJPITWSZWSMIF-UHFFFAOYSA-N 414.470 1.314 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1760509766 GUTVRJIOWILNIJ-WFASDCNBSA-N 404.496 1.260 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCS(=O)(=O)CC)C1 1760546594 RJLGSCNYXPCHAJ-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCNC(=O)C2CC2)CCOC1 1760688970 QMAAASDYLSIVIK-MGPUTAFESA-N 404.515 1.441 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCOC2)n1CCCNC(=O)c1cccc(O)c1 1760696494 QZMDKOBXKQMXKF-NVXWUHKLSA-N 412.494 1.904 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2Cc2ccc(C#N)o2)CCOC1 1765933653 JVMBWDGQKKKLDQ-LIVBEALHSA-N 401.467 1.650 30 10 HDEE CCCNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@H](C#N)C1 1766233131 OQDIDCFWFISQJM-CQSZACIVSA-N 418.448 1.792 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC(C)(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1766386007 JBAMLNKMHAUFGT-OAQYLSRUSA-N 418.542 1.927 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2([S@](C)=O)CC2)C1 1769418432 ATBWDZYDHUWJPT-OFJJUDJNSA-N 413.503 1.727 30 10 HDEE COC[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1769470277 PTYGSAZEAHTGOU-MJWGMMHASA-N 400.483 1.230 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2C[C@]2(O)CCSC2)cc1 1771533848 BAGTTYMNFJUNKQ-LJQANCHMSA-N 401.492 1.433 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2ccccc2)C1 1772566438 GBSRTXXZOGTXMU-IRXDYDNUSA-N 410.478 1.109 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C[C@@H]1F 1772891789 QXCGCJPEAVHBHZ-CJNGLKHVSA-N 406.487 1.502 30 10 HDEE C=CCN(C(=O)[C@@H](NS(=O)(=O)c1cccc(C)c1)C(C)C)[C@@H]1CCN(C)C1=O 1848936274 SNDISDRDYHMEFN-MSOLQXFVSA-N 407.536 1.543 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](COc3ncc(Br)cn3)C2)CC1=O 1849302479 DLZIGIPENJWLLZ-UONOGXRCSA-N 423.311 1.891 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3cccnc3C#N)C2)cc1 1849793521 AHMTZFIKTBJDAX-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE N#Cc1ccc(C(=O)O[C@@H](COc2ccc(CC(N)=O)cc2)CN2CCOCC2)cc1 1851386782 OQXIGHMNRHMOKB-OAQYLSRUSA-N 423.469 1.523 30 10 HDEE N#Cc1ccc(C[C@@H](NS(=O)(=O)c2ccccc2)C(=O)N2CC(F)(F)C2)cc1 1851986550 YFYGWNYWXNPSQA-QGZVFWFLSA-N 405.426 1.925 30 10 HDEE Cc1cccc(C#N)c1NC(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1 1851990866 MLVFNIOZDFKOTE-ZDUSSCGKSA-N 404.414 1.914 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3CCCN3c3ccccn3)c(C#N)cc2C#N)CC1 1852606453 DXBVNYZFCQGNNR-SFHVURJKSA-N 416.489 1.579 30 10 HDEE O=C(c1ccc(N2CCCCC2)nn1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1852793944 GQVMPUNIICTKKE-UHFFFAOYSA-N 405.402 1.951 30 10 HDEE CN(C)C=NC(=S)N(C(=O)CN1CCCS1(=O)=O)c1ccccc1Cl 1852850974 BCLIKQOGLAFGSJ-UHFFFAOYSA-N 402.929 1.583 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CO2)nc1 1852969643 UGUFXBBBQZHGOR-GOEBONIOSA-N 422.397 1.398 30 10 HDEE NC(=NOCCC(=O)N1CCc2nc3ccccn3c(=O)c2C1)c1ccc(F)cc1 1853415097 GOUGEAGVYQZTLW-UHFFFAOYSA-N 409.421 1.446 30 10 HDEE CO[C@@H](C)C(=NOCCN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853488871 HLOPLVOPHSKGIS-AWEZNQCLSA-N 424.523 1.310 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CCCCN3C(=O)OC(C)(C)C)C(=O)C2)C1 1853666700 IGSLJVMKNUJCDJ-ROUUACIJSA-N 420.554 1.707 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(C)n(CC)n2)C1=O 1854249041 PJHHAGUKXTWDPU-ROUUACIJSA-N 401.511 1.451 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCN(c3ccnc(C(F)(F)F)c3)C(=O)C2)C1=O 1854798750 JUCGEDYPNAKGPB-CQSZACIVSA-N 423.395 1.570 30 10 HDEE COc1c(F)c(F)cc(C(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c1F 1856091891 FCBWHPOILYEBRZ-UHFFFAOYSA-N 419.381 1.029 30 10 HDEE CCn1ccc(C(=O)N2CCC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n1 1856102885 NIIJTLZAVAMNHR-GOSISDBHSA-N 407.478 1.123 30 10 HDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N(CCO)Cc1ccccc1 1869929178 BIFDPGSNSYJKAX-QGZVFWFLSA-N 401.488 1.525 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ncoc3C3CCC3)CC2)CC1 1889278321 BJHATHOUAAUDLS-UHFFFAOYSA-N 400.523 1.814 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c(F)c1 1889549578 CHPNTBLMQSZBJF-UHFFFAOYSA-N 423.554 1.555 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1895875914 OQHWMLPXHUKLMC-QWHCGFSZSA-N 404.276 1.628 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@H]1CN(C(=O)OCc2ccccc2)CCO1 2054408997 XSUZLHNZIXYFMR-ROUUACIJSA-N 409.508 1.739 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cncc(C#N)c2)CC(F)(F)C1 2184236878 RFOLDXQLBHQIAV-LBPRGKRZSA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384262 MWFSQULOAZCEGJ-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NOCCCNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243387166 OOFDOEOKKZSULP-UHFFFAOYSA-N 410.280 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243676556 KTXFOXHIDILXAN-FQEVSTJZSA-N 408.304 1.499 30 10 HDEE Cc1nc(NC(=O)CCNC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2243684841 IAJRUFMJBSJLRE-UHFFFAOYSA-N 406.292 1.938 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243697246 HYECKXLEJVGUGN-FQEVSTJZSA-N 408.304 1.763 30 10 HDEE Cn1nc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823595 QBSZDPVLFARZCI-QWHCGFSZSA-N 420.319 1.362 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N3CCN(Cc4ccccc4)CC3)nc2)OC1(C)C 2247837193 OOWUAHQYCRWTKD-UHFFFAOYSA-N 408.311 1.734 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247916610 AWOWCZCUKRIZAL-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CO1 2248057133 UDIZKQKNXWHGBR-GFCCVEGCSA-N 420.275 1.057 30 10 HDEE Cc1sc(C(=O)NCCCS(C)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281931922 HRJYQZDNPQRIEO-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CCOC(=O)CCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344392 BNTKPZUBZNVICC-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE COCCOCCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282345825 RJUXMAAKNLNHLK-UHFFFAOYSA-N 405.347 1.379 30 10 HDEE CC[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2282502626 NWHQMUOZLOYENZ-GFCCVEGCSA-N 404.363 1.411 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@H](O)CC2)OC1(C)C 2282510718 CVDVJAPBMXSUJY-HAQNSBGRSA-N 402.347 1.165 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC2(C1)CC1(C2)OCCO1 2282680897 BJPYNDLVXDDRMM-UHFFFAOYSA-N 402.300 1.694 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCCNC3=O)cc2Cl)OC1(C)C 2282844516 FCZKHSGSIMGUBS-SNVBAGLBSA-N 420.749 1.258 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849510 CDBTYTPWNZEDLK-LLVKDONJSA-N 423.387 1.101 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858210 TUDOAWWORLTYSB-LLVKDONJSA-N 423.387 1.149 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@]3(C)C(=O)O)c2)OC1(C)C 2284409208 GIICZHXYENEROL-INIZCTEOSA-N 401.315 1.675 30 10 HDEE CC(C)(C)N(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284416005 SKWJDWYKOPSCJS-UHFFFAOYSA-N 403.331 1.921 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)[C@@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2286864743 ZFPRDBHWUJMDLB-OLZOCXBDSA-N 400.375 1.775 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@H](O)C#CC1(S(C)(=O)=O)CC1 2342032106 IQRIJCPHSFAROS-UONOGXRCSA-N 400.522 1.520 30 10 HDEE C[C@H](O)CCCN(C)S(=O)(=O)Cc1ncsc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c1ccccc1-c1oc(N)nc12 20167614 JMKFVYXURJCOFF-JOCHJYFZSA-N 423.425 1.932 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2sccc2Br)CC1 314854843 XQGPRZMZSTVANR-UHFFFAOYSA-N 408.343 1.119 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@]2(C(=O)O)C[C@@H](OCC)C2(C)C)c1 439714388 BHTRTGSQDKRFGX-DNVCBOLYSA-N 410.492 1.539 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(C)=O)C[C@H]2C)cc1 440581643 DSOONKNXQUYTCA-MRXNPFEDSA-N 412.490 1.519 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2ccccc2Cn2ccnc2)CC1 442909265 UUBJZYVVTZWTNH-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cnn(-c4ncccc4C#N)c3)ccc21 460776184 VPULJMQLERWOLK-UHFFFAOYSA-N 409.431 1.130 30 10 HDEE Cc1c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cnn1-c1ccccn1 462457882 RYYINCWIRULZBN-UHFFFAOYSA-N 409.475 1.353 30 10 HDEE CC1(C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@@]2(CCOC2)O1 478388492 FGAMTWOUNVBHQQ-LJQANCHMSA-N 407.492 1.289 30 10 HDEE COCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(C#N)cc1F 480729659 OKRFOVMFXSJNBS-IBGZPJMESA-N 419.478 1.491 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)cc1C#N 489187677 KNCNPIFZZGLZLT-OAHLLOKOSA-N 405.524 1.015 30 10 HDEE CCC(CC)C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C[C@H]1CCCO1 523860857 JUWSULPZMRYDGN-MRXNPFEDSA-N 414.531 1.331 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(OC)cc(C)n2)c1=O 538498164 LIHOIOPHJCLRTH-UHFFFAOYSA-N 412.515 1.204 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1 557747988 GDUNHOFXWRGUKT-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cccc(O)c2)C1 564378015 KLJWPMORPBBLAI-XJKSGUPXSA-N 407.496 1.358 30 10 HDEE COc1cc(CNS(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)ccc1C#N 568935555 BRKDLNKKGMUDBE-UHFFFAOYSA-N 409.489 1.296 30 10 HDEE N#Cc1nccnc1OC1CCC(NC(=O)CCn2cnc3ccccc3c2=O)CC1 585355924 RJCWBKIJWNENOG-UHFFFAOYSA-N 418.457 1.955 30 10 HDEE Cc1ncc(CNC(=O)C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)s1 585775764 OIAYAMGOIRLDLN-UHFFFAOYSA-N 400.464 1.154 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cccc(NC(=O)CCC)c2)CC1 604173590 HFFGCKCPDXUNMW-UHFFFAOYSA-N 401.511 1.555 30 10 HDEE CS(=O)(=O)NCCc1ccc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 612820352 NJZMOLRJPSJJNB-UHFFFAOYSA-N 413.503 1.007 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2C2CC2)cc1 728757101 GDNMECGJJCVVDX-SFAXUQRRSA-N 418.519 1.839 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)CNC(=S)Nc2ccccc2C#N)c1 729164284 DGHXNMYQRFNXJE-UHFFFAOYSA-N 403.489 1.391 30 10 HDEE C#CCN(C(=O)CCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCS(=O)(=O)C1 729331118 JOOCYKANXVFCEB-OAHLLOKOSA-N 407.879 1.972 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cnn3ccccc23)c1=O 729669740 ATLBHKWXXFLFMX-UHFFFAOYSA-N 407.499 1.163 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 732153379 HGBQODMBAYJPGK-QZQOTICOSA-N 409.446 1.356 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)NC1CCCCC1 732494691 KGXCACWZGOKCDT-UYAOXDASSA-N 422.485 1.620 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CCN1C1CC1 732665057 UGEKUHFNWNWNTE-RTWAWAEBSA-N 403.486 1.621 30 10 HDEE COc1ccc(CN2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)cc1 733890215 FKYYKENFBFKWNB-DQRAZIAOSA-N 412.490 1.646 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 734291593 VICVXFIPRBRWFH-ZQIUZPCESA-N 422.532 1.397 30 10 HDEE CC(C)OCc1ccc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 737305631 IFGWGWFVKCHHSW-ISLYRVAYSA-N 400.435 1.193 30 10 HDEE COC(=O)[C@H](OC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 740189871 NDKVGDBGYDJMIG-GOSISDBHSA-N 402.428 1.684 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 748611320 JWHFBZVSQQJZDU-OTRWWLKZSA-N 404.394 1.795 30 10 HDEE N#Cc1ccc(CN(C[C@H](O)CN2CCOCC2)c2ccc3nc(O)[nH]c3c2)cc1 749364246 RFMWJPVWSNSHRI-LJQANCHMSA-N 407.474 1.840 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)COc2ccccc2C#N)c1 749984196 VKOZQLVXZBTEOB-UHFFFAOYSA-N 406.391 1.662 30 10 HDEE C#CCN(CC#C)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 752330952 AYECSYQRJFCMJH-UHFFFAOYSA-N 423.878 1.744 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 756676811 UEBRVBHVYAGXMC-INIZCTEOSA-N 418.471 1.561 30 10 HDEE N#C[C@@H](C(=O)/C=C\c1ccc2ccc(Cl)cc2n1)C(=O)N1CCS(=O)(=O)CC1 759333922 QRTMHFMNGYWLEZ-KJPDOMRESA-N 417.874 1.867 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2C[C@H](O)c2ccco2)cc1 763787132 OQJHMYQGQBQMFG-WMZOPIPTSA-N 420.487 1.709 30 10 HDEE NC(=NOCC(=O)N1CCOC[C@H]1C1CC1)c1ccc(OCc2cccnc2)cc1 765531848 SCMFYIKKBIDVNO-FQEVSTJZSA-N 410.474 1.935 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)O)cc1 766899347 WSEKCDJVRWENEI-INIZCTEOSA-N 414.483 1.961 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCS(=O)(=O)C1 774166397 DFZMKJBFVTVWIB-GOSISDBHSA-N 407.561 1.572 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)[C@H]1CCS(=O)(=O)C1 774187307 LXAPEHHTDLJOQY-QFBILLFUSA-N 404.488 1.741 30 10 HDEE C#CCN(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 774251135 NFTLBZBLHIOCHB-JKSUJKDBSA-N 415.556 1.902 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@H](C2CC2)C1 777198821 NGCOIZXNWVTAKW-IRXDYDNUSA-N 405.520 1.921 30 10 HDEE COc1cc(C)c(/C=C\C(=O)c2ccc(S(=O)(=O)NCC(=O)O)cc2)c(C)n1 781542718 DBOBQJGATUOMNT-HJWRWDBZSA-N 404.444 1.966 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)OCO3)N(CC[C@H]2CCOC2)C1=O 784125318 IJCXZWDYSBGHGI-BLLLJJGKSA-N 405.476 1.910 30 10 HDEE COC(=O)CCN1CCC(=NNc2ccc(S(=O)(=O)NC(C)(C)C)cn2)CC1 788711680 HKTSGVCAGWDPCS-UHFFFAOYSA-N 411.528 1.585 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)n1 790105070 PPEUXHXEJQXDLN-NXHRZFHOSA-N 400.479 1.055 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 798149647 FPVCSVHWZXBYKI-SMDDNHRTSA-N 403.298 1.808 30 10 HDEE CCN(Cc1ccc(OC)c(OC)c1)C(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798745022 DWRBQWHTZFNPOV-CYBMUJFWSA-N 401.423 1.320 30 10 HDEE CCOC(=O)c1cc(C)sc1NC(=O)[C@H](C)OC(=O)[C@@H](C)n1cnc(C#N)n1 798745200 GGYGPLFUCHKDSW-MNOVXSKESA-N 405.436 1.828 30 10 HDEE C#Cc1cccc(N=c2scc(-c3cnn(C)n3)n2CCn2cnc(C#N)n2)c1 803197083 UCXVURYXRKZVFK-UHFFFAOYSA-N 401.459 1.722 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(CCC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 809722098 NAUKXLPSYUOXHS-QFIPXVFZSA-N 420.554 1.402 30 10 HDEE Cc1nc(=NC(=O)c2c(C)nn(C)c2Br)n(-c2ccc(C#N)cc2)[nH]1 813013987 LTFMDILAXKKIJJ-UHFFFAOYSA-N 400.240 1.926 30 10 HDEE C#CCN(C)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 818611952 JCGCMPVIZJYWTD-UHFFFAOYSA-N 411.955 1.812 30 10 HDEE CN1CC[C@H](C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](c2cnn(C)c2)C1 849579215 ZSXKSSCJKBLSEJ-ACRUOGEOSA-N 420.517 1.639 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)O)cc2c1CCCC2 917925390 DWRBZGKRLWBTSM-HNNXBMFYSA-N 411.501 1.075 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1128961812 FYZYWVVMVFCRIY-CQSZACIVSA-N 414.849 1.870 30 10 HDEE Cn1cc(Cl)c(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1129030821 BBFWPMHEDTUQPE-CQSZACIVSA-N 400.826 1.467 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)N2CCO[C@](C)(C#N)C2)(c2ccccc2)CC1 1134490080 JOLSXIIAKVZJFC-LJQANCHMSA-N 405.520 1.511 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1149111977 WWSKSUNNPDCTPY-CYBMUJFWSA-N 409.284 1.914 30 10 HDEE N#Cc1cn(CCC(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)c(=O)nc1O 1157034109 BJSRXOFGTVJJDU-DZGCQCFKSA-N 400.460 1.238 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H]2CC[C@@H](C1)[S@]2=O 1171269994 IIFNDFYGWOVFQW-JYCPIGSLSA-N 409.533 1.017 30 10 HDEE C[C@@H](CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1)NS(=O)(=O)c1cccnc1Cl 1175022614 ZFVLSRYHNRXXEF-BLLLJJGKSA-N 418.906 1.947 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)c(C#N)c1=O 1186043133 GXWZULPCOYLQAM-LLVKDONJSA-N 407.352 1.177 30 10 HDEE COc1cc(C)c([C@@H](C)NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1198337000 OUCJOBZOQLJTGU-QEEYODRMSA-N 421.519 1.060 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])c(Br)c2)CC1 1213774023 UNSZUYISOFDKEY-UHFFFAOYSA-N 402.270 1.733 30 10 HDEE C[C@]12CN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1226112298 OTZRIVVLDZDAJV-RIFZZMRRSA-N 416.503 1.130 30 10 HDEE O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCO[C@@H](CNCC#Cc2ccc(Cl)cc2)C1 1273292008 KXIKUTPXYOEENX-ZJKGHYPUSA-N 400.906 1.932 30 10 HDEE C#CCN(c1nnc(Cc2csc(C)n2)n1CCCOC)[C@@H]1CCS(=O)(=O)C1 1286394847 WYRPMTZKSCPQNZ-MRXNPFEDSA-N 423.564 1.297 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1C[C@@H](COC)OC 1286400560 IFCZRBFRJQBNOY-HNNXBMFYSA-N 420.311 1.780 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(=O)NCC)cc1 1286439336 PIHGIXUTBLCNQW-UHFFFAOYSA-N 415.501 1.940 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCC[C@H](C)C2)CC1 1286470737 BVWDGTAQABIDBU-IBGZPJMESA-N 413.570 1.001 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc4ccccc4o3)n2CCCNC(C)=O)CC1 1286473246 JHYIQLDYMAQSQC-UHFFFAOYSA-N 406.490 1.973 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@](C)(CC)C1 1286495904 HYNVURRNWXVGCZ-YOEHRIQHSA-N 415.585 1.260 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1286612703 XAGRWDOKNLUPSV-ROUUACIJSA-N 403.527 1.966 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C[C@@H]2CCOC2)C1 1286788132 QNYZWOFVFRQTIC-FGTMMUONSA-N 403.527 1.727 30 10 HDEE C[C@@H]1C[C@@H](C)CN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1291004185 CFUXLQIUUNDGHF-PLGXQAJASA-N 424.509 1.687 30 10 HDEE CN(C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12)C1(C#N)CCC1 1292236475 VPTXFXANBXVYPO-RBSFLKMASA-N 411.524 1.561 30 10 HDEE CCCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1294896877 AJURDICUCHPCHU-UHFFFAOYSA-N 408.510 1.665 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1297776855 GSSXEJMDGDSIGH-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE C#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N(C)c2ccccc2OC)ccc1Cl 1298587448 ZJCKQOAGISQWHE-CYBMUJFWSA-N 422.890 1.898 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCN1CCC(O)CC1 1300288608 DGJZVRMXGUZITG-MRXNPFEDSA-N 411.506 1.979 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(NC(N)=O)cc1 1300309798 VKTDFTPUSQJMKA-DZGCQCFKSA-N 416.507 1.177 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1300488391 RHXYHUBNLMXHMF-JKSUJKDBSA-N 420.510 1.993 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1CCCO 1300526566 JXWPAKLRDKSSRT-LJQANCHMSA-N 407.518 1.873 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(CC)CC)N(C)C 1300537682 IHFXZDWNWFTLJD-RBUKOAKNSA-N 419.595 1.619 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCOCCS(C)(=O)=O 1300571292 ASHMVBMARXQHOG-UHFFFAOYSA-N 414.531 1.778 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC(=O)NCC1CC1 1300586922 MQGVQRJMWXUFSN-UHFFFAOYSA-N 405.502 1.867 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@]2(O)CCO[C@H]2C)CC1 1300722011 FUWLHRRHBZLRFP-KSFYIVLOSA-N 415.538 1.441 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCOC 1300877137 UNWLRJZWDUXPDQ-HKUYNNGSSA-N 424.509 1.985 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@@]1(C)C(=O)OC(C)(C)C 1301172806 NOYQUFISGZZSPL-VLIAUNLRSA-N 421.519 1.948 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301221638 MLTNWRIGXYULOJ-LJQANCHMSA-N 416.570 1.883 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1301303073 TWLNKGJVERHDJE-QGZVFWFLSA-N 423.521 1.634 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]2CCC[C@@H]21 1301478487 LTAWQCZKTJUGIB-CVEARBPZSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1301502270 FIHUCXPLSZSIDB-AWEZNQCLSA-N 416.913 1.491 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)COCCO1 1302052682 NZTJUOUQZKLGIB-AHRSYUTCSA-N 407.515 1.938 30 10 HDEE CC(C)(C)OC(=O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@H](C#N)C1 1302274813 HNVPXCANMVKYBW-GJZGRUSLSA-N 406.487 1.773 30 10 HDEE CC(C)CSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1303248456 YBQUCZSALCNGGM-XJKSGUPXSA-N 418.564 1.719 30 10 HDEE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)c2C)cc1 1307372786 ZFQWVWYEVUUTKX-UHFFFAOYSA-N 406.442 1.473 30 10 HDEE C[C@H]1CC[C@@H](C)N1CCN1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307451027 OGZIIJKPLIVBPR-BGYRXZFFSA-N 408.546 1.776 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1314741250 MVHZTKAUJRPYRU-MRXNPFEDSA-N 401.492 1.213 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)C1 1315102027 CMIZVNCWTQDZQO-MRXNPFEDSA-N 411.462 1.643 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CC[C@H]1C2 1316357402 VQBXYVUKCIGMEV-RDJZCZTQSA-N 400.508 1.745 30 10 HDEE CSCCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1316455818 LLWWIJIAOUBFAV-GJZGRUSLSA-N 413.569 1.442 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2cccs2)CCO1 1316539080 BPDWORJZLFSDOF-UONOGXRCSA-N 402.480 1.002 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1 1358969311 MQZUNFADDSQFBR-IAGOWNOFSA-N 415.519 1.429 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC(=O)NC(C)C 1358974337 ZMPMIZGAHQDUGW-UHFFFAOYSA-N 409.490 1.950 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@](C)(O)C1CC1 1358976723 OGIMXTCZQKNTPR-QFIPXVFZSA-N 402.458 1.828 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCCN1C[C@H](C)C[C@@H](C)C1 1358981596 QCMJVLBWVBJULG-WOJBJXKFSA-N 410.566 1.841 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1359024123 FQNUUJZAQOZKSU-HZPDHXFCSA-N 407.515 1.781 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](F)COC)CC1 1359033088 OWYHFBHRINPIBG-QGZVFWFLSA-N 415.469 1.456 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1359131443 UESRTOKWOLCQBW-JXFKEZNVSA-N 402.499 1.656 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359149461 AMSJPCWNFHAENL-LSDHHAIUSA-N 423.949 1.018 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1359167157 VPUXQCYUOIKJQV-MRCUWXFGSA-N 419.489 1.947 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC[C@H](C(N)=O)C1 1359229022 WCIFQZAVLCGTDD-HNNXBMFYSA-N 404.540 1.928 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H]1CCSC1 1359334605 LFWLFSRXQQWTLP-MRXNPFEDSA-N 424.596 1.682 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCS(C)(=O)=O 1359851884 HBWVNIXBKKQEKJ-UHFFFAOYSA-N 416.551 1.719 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1438148679 QNDNNDXGYNYDNB-JKSUJKDBSA-N 420.487 1.168 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCN1CCOCC1 1440751955 ABOBNCZNQGTRNJ-IBGZPJMESA-N 414.506 1.841 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(OCC#N)cc2)CCS(=O)(=O)CC1 1443097005 IVHHRHKJBYPJPV-UHFFFAOYSA-N 422.503 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NCCc2ccc(C#N)cc2)C1 1453344966 IOTHOCVWJNCBQV-KRWDZBQOSA-N 421.519 1.641 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc1 1453537588 XMGLSRBCVZYEMT-QFIPXVFZSA-N 418.490 1.817 30 10 HDEE C=CCC1(O)CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 1455926793 NVQGSZVVDFPTRH-UHFFFAOYSA-N 408.520 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1 1458937437 XSUAGWKNFMHHKN-HRAATJIYSA-N 414.462 1.961 30 10 HDEE N#CC1(C[C@@H](O)CN2CCNC(=O)[C@@H]2c2cccc(Br)c2)CCOCC1 1459777855 WXTIVWLWGHPRNI-SJORKVTESA-N 422.323 1.993 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2c(C)cc(C(F)(F)F)cc2C)CC1 1467251780 RBWJZKWEQPDRRQ-UHFFFAOYSA-N 418.441 1.939 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Cc2ccc(Br)c([N+](=O)[O-])c2)CC1 1467453711 ZWLYBNJPNXNSQG-UHFFFAOYSA-N 408.252 1.888 30 10 HDEE COc1cc(CNC(=O)NCC2(C#N)CCOCC2)ccc1OCC(=O)N(C)C 1467856879 FDHVOEWSYSLKDF-UHFFFAOYSA-N 404.467 1.282 30 10 HDEE COCCOc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc(O)c(C#N)cc1C 1467874454 LCMMSIODSLSJJD-UHFFFAOYSA-N 405.432 1.648 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CC[C@](C)(C#N)C1 1470394106 LLMXUVUJTAYPNY-AZUAARDMSA-N 421.519 1.913 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(CC#N)n2)C1 1471516367 CIESZNRYKXUYPP-AWEZNQCLSA-N 402.480 1.527 30 10 HDEE COC[C@@H](NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CCOCC1 1473638117 PKWBBQTXKXTCGI-QZTJIDSGSA-N 406.552 1.488 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)[C@H]1CCc2cc(Br)ccc2C1 1475128634 ZAJGMJALZKJMKE-HNNXBMFYSA-N 422.366 1.827 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(C(=O)OCC)ccc2Br)CC1 1475510017 FHSBRZMYZTZDTM-UHFFFAOYSA-N 416.293 1.775 30 10 HDEE COCc1nc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@@H](C#N)C2)cs1 1504655210 BILXMVSGJDMRCQ-GJZGRUSLSA-N 404.496 1.900 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@@](F)(C#N)C1 1504755880 UMQVBRBEAGWWCJ-RTBURBONSA-N 420.445 1.235 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1507516338 KNCXIRJUMPMNQM-RZQQEMMASA-N 419.551 1.644 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CN(C)C)c1 1507538121 KKKKOAINLDXYRS-QFBILLFUSA-N 415.563 1.748 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CCC(C)(C)C)CC1 1507576010 VKOHAVPSGVGMOP-QGZVFWFLSA-N 424.615 1.860 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cnn(-c2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 1507627182 REPPAMNJRHOPHG-IBGZPJMESA-N 410.503 1.447 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC[C@]2(CCOC2)O1 1507672712 DWZATTRSLPABBP-XMSQKQJNSA-N 411.506 1.202 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCc1ccc2c(c1)CCO2 1507701782 AXZFSNMRXZEMCN-UHFFFAOYSA-N 411.506 1.680 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CC=CCO1 1507703966 KRETYSSVTCJQRX-NQIIRXRSSA-N 404.511 1.750 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCSCCCO)CC1 1507726210 HUCYCADTJQDUHI-UHFFFAOYSA-N 417.583 1.011 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1507835091 KQELVZWXRFDGBX-OXQOHEQNSA-N 404.515 1.547 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)C(=O)NCC)CC1 1507901627 CNKOZTZFMVJCRP-INIZCTEOSA-N 423.583 1.745 30 10 HDEE CC(C)NC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1509725283 BPLRGPBRHBJFBJ-QGZVFWFLSA-N 409.494 1.652 30 10 HDEE CCOCc1nnc(N2CCC[C@@H]3CC[C@@H]32)n1CCN/C(O)=C1/N=CC=CC1=O 1516580519 GSEYEHZYWMONOF-FXDIGPMBSA-N 400.483 1.720 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2Cc2cc(C)nn2C)cc1 1518208375 GOUWQSVYUJYIFA-HXUWFJFHSA-N 421.505 1.891 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@H]2C1)OC 1518719435 CQMIVUJOLORVGI-SJORKVTESA-N 412.450 1.119 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nncn1C 1519437257 TYXWZAGYHIEHGP-URLQWDBASA-N 400.487 1.309 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 1528147957 RAXNMCQKQGGBKG-KRWDZBQOSA-N 416.524 1.969 30 10 HDEE CCc1c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nnn1Cc1ccccc1 1532112898 HHBOGAGZSWHUHO-UHFFFAOYSA-N 406.450 1.572 30 10 HDEE CC(C)(CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)N1CCCC1 1534628643 ZCHBSWFWKPIFMI-UHFFFAOYSA-N 406.508 1.257 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(F)(F)F 1538325524 GKLIISUSOLOASU-HNNXBMFYSA-N 421.397 1.492 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nnn1-c1ccccc1Cl 1538761252 UZJSLGGDQLPVKL-YVEFUNNKSA-N 405.867 1.240 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(CN2CCOCC2)CC1 1539045681 WWTIKAKNRGAQPJ-UHFFFAOYSA-N 416.570 1.768 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)CC1 1539102177 UJWZLOAPRLVPOV-UHFFFAOYSA-N 401.492 1.088 30 10 HDEE C#CCN(c1nnc(CC)n1CCSCC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539221208 YSQABWSORUYEFC-LBPRGKRZSA-N 410.487 1.763 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2C[C@H]2CCCN2c2cnn(C)c2)CC1 1539451919 FIJXLVIQGKPEOX-LJQANCHMSA-N 410.570 1.634 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1539723045 WJTRVKUEDXNCHX-FQEVSTJZSA-N 404.515 1.809 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1540034008 SWWPVIRKPBUQRO-QGZVFWFLSA-N 410.482 1.430 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2CCOC[C@H]2C1 1540902971 VEWCGCSNLLLAMO-QGZVFWFLSA-N 409.556 1.057 30 10 HDEE CC(C)N1CCC(O)(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1541619896 NQAFNHBCHQQISP-YLJYHZDGSA-N 420.533 1.849 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2NC(=O)CC2(C)C)cs1 1542925770 GNMDHMINGSZROL-CABCVRRESA-N 415.523 1.277 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cccn1 1545877590 GXTBFHIILHXDPE-LJQANCHMSA-N 402.478 1.925 30 10 HDEE Cn1nncc1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1554368254 NSXPGSIPIZKVND-GOSISDBHSA-N 402.384 1.766 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)C(=O)OC 1556375698 PQUVXTJCVUMZKF-DLBZAZTESA-N 404.463 1.894 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)C2(OC)CCOCC2)s1 1557073788 CLPKOMMNVPUUKW-CYBMUJFWSA-N 402.538 1.455 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)COc1ccccc1C#N 1557521384 KFQAHRWZLZWQEQ-FQEVSTJZSA-N 405.451 1.052 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nc(C3CCOCC3)n[nH]2)c1 1557876874 HFRNCKIUJDZTOU-UHFFFAOYSA-N 405.480 1.093 30 10 HDEE CON(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@H](C)C(=O)OC(C)(C)C 1557992260 RCAQKJWIXKXAEA-CYBMUJFWSA-N 411.480 1.531 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OC 1558381453 JYKDMZSXPLGRHF-MRXNPFEDSA-N 410.492 1.176 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCc3cncc(C#N)c3)CC2)c1 1558449932 NOAFJYAHOGPXGS-UHFFFAOYSA-N 413.503 1.030 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(O)Cc2ccc(F)cc2)cc1 1559036718 USOPPSOKDYCCLW-UHFFFAOYSA-N 409.439 1.823 30 10 HDEE Cn1c(N2CCC[C@H](NC(=O)c3ccc(Cl)cc3)C2)c(C#N)c(=O)n(C)c1=O 1559291806 RAFNMDHGFSYMCX-AWEZNQCLSA-N 401.854 1.008 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](C2CC2)[C@]2(CO)CCCO2)ccc1Br 1561602887 DRZILJLSECMFTH-JKSUJKDBSA-N 415.309 1.919 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCSCC3)c[nH]2)cc1 1569240441 GFZNHANPLYCCHN-UHFFFAOYSA-N 419.528 1.694 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nn1 1584140134 JGIBRXBYKMUERI-UHFFFAOYSA-N 404.496 1.716 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNS(=O)(=O)c1cc(C)ccc1C)C(=O)OCC 1587285657 HSCCPQPMJASOHQ-AWEZNQCLSA-N 402.900 1.772 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 1587549707 BOSANFGETYRMNL-ZWKOTPCHSA-N 403.575 1.148 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cccc(C(=O)NC)c1 1588170903 OXLCQSPUCIXASP-PMACEKPBSA-N 421.501 1.483 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O 1588185303 DZXCJQAEDXLAAY-FCHUYYIVSA-N 413.522 1.260 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCNC(=O)C(C)(C)C)CC1 1588885613 XUKUIJOEEODFOK-UHFFFAOYSA-N 416.570 1.704 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCOC2)CC1 1588914126 XKJIBWGOGIPQBQ-KRWDZBQOSA-N 408.506 1.733 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1589070234 QWPPDCXYRDPOTO-HNNXBMFYSA-N 413.613 1.751 30 10 HDEE CC(C)(C)OC(=O)NCCc1cnc2c(C(=O)N3CCSC[C@H]3C#N)cnn2c1 1597939707 CQWMFQAGSGHZNW-CQSZACIVSA-N 416.507 1.878 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)cn1 1611189423 PQQBGYKPKRMBEF-MAUKXSAKSA-N 417.347 1.888 30 10 HDEE C[C@@H]1CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@@H](C(N)=O)C1 1617118762 SUXSTCSZYTZDET-BDJLRTHQSA-N 405.296 1.869 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCN(C2CC2)C1 1620025047 MUJGCLUKFPCOCF-JFIYKMOQSA-N 404.515 1.215 30 10 HDEE C[C@H](CCS(C)(=O)=O)NC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1622860969 HBWWLNPKMAIUAN-LLVKDONJSA-N 414.325 1.696 30 10 HDEE C[C@]1(Br)C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1624062511 VKUOKIOYDBOXHP-ZBFHGGJFSA-N 412.309 1.565 30 10 HDEE C#CC[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)C(=O)OC 1626187971 NFGZZXANUAIDKA-QGZVFWFLSA-N 404.419 1.921 30 10 HDEE N#C[C@@H](NC(=O)c1cccc(-n2[nH]nnc2=N)c1)c1ccc(OC(F)(F)F)cc1 1629208796 RFKHHHOONXVSBD-CQSZACIVSA-N 403.324 1.968 30 10 HDEE COc1ccc([C@@H](CO)N(C)C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1631752373 TZGPUMPVBDEJPB-GOSISDBHSA-N 406.435 1.937 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 1633222927 SHGQIFLPPACGIW-AWEZNQCLSA-N 402.451 1.866 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)C(=O)OCC)CC1 1634263964 OSDHGNIZJMGBEY-OAHLLOKOSA-N 411.499 1.470 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCC1(N2CCN(c3ccccc3)CC2)CCOCC1 1635287587 QIHKPNOUUKOERR-FQEVSTJZSA-N 414.550 1.695 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCNC(=O)[C@@H]2c2ccc(C(F)(F)F)cc2)C1 1638397653 KHYWMXANSWKODE-SJORKVTESA-N 408.424 1.986 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(CO)ccn1 1638552044 ZFSFOMMOLSTLHO-UHFFFAOYSA-N 402.476 1.812 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC2(CCOCC2)[C@H]1c1ccco1)c1cc[nH]n1 1640039539 MMQSMAFPMJHPCU-GOSISDBHSA-N 416.434 1.667 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1noc2cc(F)ccc12 1643335636 PUJXYMDZCOABGP-LLVKDONJSA-N 402.407 1.822 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(C(=O)COc2ccc(S(N)(=O)=O)cc2)C1 1643499552 UMKIELBRMLUROQ-IBGZPJMESA-N 400.460 1.192 30 10 HDEE C#CC[C@H]1CCCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1643533666 YAFUOZGPHQXHMF-PKOBYXMFSA-N 419.547 1.478 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N=[S@@]1(=O)CCc2ccccc21 1645101727 RQBUXUCDTOMEID-AREMUKBSSA-N 403.485 1.725 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CCC3)C2)cc1 1646204143 NCUJKQPREZMEHL-INIZCTEOSA-N 424.544 1.994 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H](F)[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C#N 1648432496 ILQYQFOTDRRJPD-SWLSCSKDSA-N 408.478 1.967 30 10 HDEE O=C(C1CN(C(=O)C2CCCCC2)C1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040376 CTSGGVJSHSEZEN-UHFFFAOYSA-N 413.474 1.929 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cccn(C3CC3)c2=O)c(=O)c1C#N 1654530751 IRRLIZPALWJRNT-UHFFFAOYSA-N 403.236 1.980 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C)C(=O)OCC 1656400747 XWPOYHSSCSRWGN-CQSZACIVSA-N 406.936 1.414 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CC1 1658694271 VHFYVZJFCRRUMC-UHFFFAOYSA-N 411.487 1.997 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCn3c(CC4CC4)nnc3C2)C1 1681226630 JHNFGFVFRCVPRS-CABCVRRESA-N 415.498 1.515 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)NCC[C@@H]2CCCS2(=O)=O)CC1 1684996064 ZDRQAZSTHXTXFU-AWEZNQCLSA-N 407.496 1.223 30 10 HDEE COc1cccc2c1CCC[C@H](NC(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)C2 1685662593 XIYNZWXLRSQPNL-HNNXBMFYSA-N 409.446 1.343 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1689930087 KKXMTNHJQKRJDO-LJQANCHMSA-N 416.570 1.576 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ncccc1Cl)[C@H]1CCS(=O)(=O)C1 1689991610 ALWZCFXGFGZRLN-AWEZNQCLSA-N 423.926 1.595 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(OC)CCCC1 1690009020 VBXQNNHQTCBILV-UHFFFAOYSA-N 416.489 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1690022535 IJPVQVDVLQSPBM-NRFANRHFSA-N 419.577 1.610 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC(F)(F)C1 1690032984 NXVRGHYHANTLOH-GJZGRUSLSA-N 413.494 1.787 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1Cc1nnn(C)n1 1690098806 VZLCXQURZMDCJN-UHFFFAOYSA-N 403.450 1.151 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](COC)C1 1690220313 WIEPQICBLGXASJ-KGLIPLIRSA-N 419.320 1.762 30 10 HDEE C=C(Cl)Cn1c(-c2cccn2C)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1690340531 VLZBLQXWWVUIGG-AWEZNQCLSA-N 403.874 1.509 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1690506512 POTASXWQYGXDMD-OAQYLSRUSA-N 424.509 1.813 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cn2ccccc2n1 1690622562 SASYYIJVFFBJBV-KRWDZBQOSA-N 409.494 1.758 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1690624607 YBQXMQRTRCSGRJ-OAQYLSRUSA-N 403.502 1.713 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1NC(=O)CC1(C)C 1690993903 SAGDTHPLPKPXOR-KGLIPLIRSA-N 410.482 1.436 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1705493470 JNDOFSGHRLCBNM-GXTWGEPZSA-N 404.421 1.774 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)NCCCC)CC1 1705538651 VZIJVKNOYJLUNL-UHFFFAOYSA-N 414.554 1.947 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCN(C)CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705564445 BELCPUPPWJVRSZ-AWEZNQCLSA-N 419.473 1.276 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCNC(=O)Cc1cccc(F)c1 1705583179 RWRHSYMVYGGCSO-SFHVURJKSA-N 409.465 1.353 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1Cc1nnnn1CC1CC1 1705591984 NJWNATRMYXBRCO-UHFFFAOYSA-N 416.489 1.861 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2CC(=O)NC(C)C)CC1 1705641332 AYUXYXNWMNTQCG-UHFFFAOYSA-N 410.522 1.179 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1705660179 OXWCIUPDVIVJPI-IAGOWNOFSA-N 422.576 1.165 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1705663015 SUQQUQNBAYAMCJ-IBGZPJMESA-N 407.547 1.807 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCC(=O)N[C@H](C)CC 1705668925 XCIAXHFKAXLSHG-ZRGWGRIASA-N 424.571 1.185 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(=O)NCC)CCC2)CC1 1705769278 NVCNXRGSNPMAKT-INIZCTEOSA-N 421.567 1.643 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705810429 YOWXONMAHXNZLG-OAHLLOKOSA-N 401.471 1.750 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N1CC[C@@](F)(C#N)C1 1705895603 MGFVGXMHSBFNOZ-MRXNPFEDSA-N 422.262 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1705937859 GUFKHHHMFPCMJX-GOSISDBHSA-N 421.502 1.183 30 10 HDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccc(C#N)cn2)CC1)N(C)C 1706789209 HWIAHXXISQWMFR-INIZCTEOSA-N 420.525 1.222 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 1707916623 KRSUWPWEQRPORJ-MWDXBVQZSA-N 402.499 1.818 30 10 HDEE CN1CC[C@@](O)(Cn2c(COc3ccccc3F)nnc2N2CC[C@](F)(C#N)C2)C1 1711275056 AQUVZXFAGARFPF-PMACEKPBSA-N 418.448 1.505 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)CC2(OC)CCC2)CC1 1722166937 IRSIQFHNVXYWIP-IYWGDAJJSA-N 400.519 1.822 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CCOC[C@H]2C)CC1 1722571779 HMZPIIUJFMPSOW-QYZOEREBSA-N 405.543 1.879 30 10 HDEE C=CCCCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1722600403 ONJZWPMLQIWSNX-INIZCTEOSA-N 424.505 1.457 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1722730518 VISIKRXCGTXOIB-AWEZNQCLSA-N 423.564 1.198 30 10 HDEE C=CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1722740640 YADOFKVAFCYFQQ-DNVCBOLYSA-N 410.540 1.849 30 10 HDEE CCOC1CC(O)(Cn2c(N(C)[C@H](C)CC#N)nnc2[C@]2(OCC)CCOC2)C1 1728940212 DZOYNIWWYVFADS-FSROGBMZSA-N 407.515 1.599 30 10 HDEE CCOCc1nnc(N(C)[C@H]2CCSC2)n1CCN/C(O)=C1/N=CC=CC1=O 1728975086 BEIDELDZGQOFMN-WPCFGXOUSA-N 406.512 1.283 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1730413547 NAZPKVSOKZUXLY-USXIJHARSA-N 418.523 1.414 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740587601 PEDQHARKZUESPW-WBVHZDCISA-N 416.551 1.859 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OCC)c1)[C@@H]1CCS(=O)(=O)C1 1740616429 AYIWKAOJQFHDGP-QGZVFWFLSA-N 418.519 1.669 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1740616489 BRRYCSQYJFROKP-WBVHZDCISA-N 418.519 1.689 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc(CC)s1 1740629697 WUWWRBMZPLBCCY-UHFFFAOYSA-N 406.475 1.460 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1740642637 XNEBMYCIKSFDMT-UHFFFAOYSA-N 405.437 1.292 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1740665080 OIVIOAGQAUOSAQ-KRWDZBQOSA-N 412.519 1.558 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C)C(=O)[C@@H]1C 1740799377 KCXIHFQWUIJINL-ULQDDVLXSA-N 407.515 1.262 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOCC)CC1 1740848226 FSRRTVBUJBJAIG-QGZVFWFLSA-N 404.559 1.990 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CC1=O 1741561425 XLFKXKOVAVKWQK-GOSISDBHSA-N 421.505 1.400 30 10 HDEE CCOCc1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H](C)CN1CCN(CC)CC1 1747110859 BBXHDALLDNOYBT-YLJYHZDGSA-N 407.538 1.530 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N2CCOCC2)nc1 1748634754 KIKPGHZZUZWPRZ-KRWDZBQOSA-N 423.521 1.252 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(n1)CCCC2 1748639690 KSINLLLXQUIRGQ-CABCVRRESA-N 416.551 1.668 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(S(C)(=O)=O)cc1 1748666469 BCYUCXNVZHLOHX-RHSMWYFYSA-N 415.519 1.333 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1748747166 CUKXZBAQSWYQCH-HZPDHXFCSA-N 400.527 1.774 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1CCCC[C@@H]1C 1748771252 HJYSIQRFHSZQHH-IRXDYDNUSA-N 410.588 1.612 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748814364 DSQWLJIPYKKYNI-VQIMIIECSA-N 420.560 1.751 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCCCCO 1748840457 BCKIJKSOLSWDFJ-UHFFFAOYSA-N 414.535 1.474 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCCc1cnn(C)n1 1748875670 STWDRBYSEXQLHN-UHFFFAOYSA-N 417.477 1.150 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1748902114 AFNPRTFGNKAXIS-QHCPKHFHSA-N 423.517 1.395 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)c1 1748932997 DPORMCHYJFWQCT-LJQANCHMSA-N 424.505 1.989 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](OC)c2ccc(F)cc2)CC1 1748986530 BHRDAHZRGLEZPV-HXUWFJFHSA-N 423.496 1.961 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)CC1 1749028631 FEJHPQJWCIFBBJ-UHFFFAOYSA-N 404.517 1.609 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 1749445499 PVBHLEOFMFRWAE-OALUTQOASA-N 418.586 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](c2ccccc2)O[C@H](C)C1 1749666152 IEBPDUDCIRVFSP-BPQIPLTHSA-N 424.505 1.498 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1749671449 AYAHLUKQTDLZQO-ZDUSSCGKSA-N 402.405 1.178 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1749676873 GOUUIMRYCGRFTI-INIZCTEOSA-N 409.556 1.326 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)CN2CCOCC2)C1 1749694873 WYACWVXHTXOYGD-MSOLQXFVSA-N 420.558 1.166 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCO[C@@H]1C 1749971467 LCKPQRTXPGLGRM-XNFNUYLZSA-N 407.515 1.672 30 10 HDEE C[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752248866 SRQFVOPYCDAIGZ-FZFLATATSA-N 407.478 1.637 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC(F)(F)CO2)CC(=O)N1C 1752318024 DMQSPSHFDJDUNE-BBRMVZONSA-N 416.432 1.908 30 10 HDEE C#CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1757736791 LYQVIOXWKLNQPA-RSJGLCBASA-N 401.507 1.241 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760218187 ZVSIKSLHNZPENG-HZPDHXFCSA-N 414.510 1.605 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCOCC2)CC1 1760358277 TWAGYSZQEYTQEW-FQEVSTJZSA-N 419.570 1.923 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)NC)CC1 1760427980 MSZKMQPWRQXHLX-QGZVFWFLSA-N 423.583 1.889 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccco2)CCO1 1760667789 FZRDTZKBYNIFKP-IBGZPJMESA-N 406.446 1.799 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1764685673 UKFHNHGWPCNFLU-NRFANRHFSA-N 423.477 1.326 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)CC2CCOCC2)C1 1767509704 FCHHQIQYANPXAL-QFIPXVFZSA-N 410.522 1.746 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@](F)(C#N)C1 1768458144 HFYBLIVVGXUOPM-HNAYVOBHSA-N 400.414 1.321 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC2CC2)C1 1769475400 GCGUYTMGKXFTRB-GOSISDBHSA-N 424.505 1.728 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2CCS(=O)(=O)N(C)C)cc1 1769983392 HSMHYIXDFCJVTM-CQSZACIVSA-N 406.512 1.441 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)c1sccc1S(=O)(=O)N1CCCC1 1772786637 WJNBUAMNBNGUCD-UHFFFAOYSA-N 406.441 1.901 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772793235 LSRRRLUBKSZJSP-CQSZACIVSA-N 402.403 1.321 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3ccccc3F)CC2)CC1 1848866577 UDPKMFVOHXBCJC-UHFFFAOYSA-N 408.499 1.331 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)CC2)CC1 1848870113 ZEVJNECLIZVHNG-SFHVURJKSA-N 400.523 1.778 30 10 HDEE C#CCCN1CCN(C(=O)[C@H](NS(=O)(=O)c2cc(C)ccc2C)C(C)C)CC1 1850788699 ZGCJRFSGNDZOEJ-HXUWFJFHSA-N 405.564 1.774 30 10 HDEE N#Cc1cnn(-c2cccc(Cl)n2)c1NC(=O)[C@H]1CC(=O)N(C2CCOCC2)C1 1852098221 BQCMQDHQFIZTBR-LBPRGKRZSA-N 414.853 1.758 30 10 HDEE Cc1nc(=NC(=O)[C@H](c2ccc(OC(F)(F)F)cc2)N2CCOCC2)c(C#N)c[nH]1 1852638023 PYLWYLAGYULLGQ-INIZCTEOSA-N 421.379 1.989 30 10 HDEE O=C(NCC#CCN1CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1 1852834351 BBUDHEFQIWIFBV-UHFFFAOYSA-N 419.547 1.317 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H](N3CC[C@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1854860914 XXEBFDOKHNRMIL-PGRDOPGGSA-N 414.481 1.890 30 10 HDEE CC[C@H]1CO[C@@H](C)CN1S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CC#N 1855046846 PLJQKVBFBZDZIR-ZFWWWQNUSA-N 405.476 1.594 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCN(C(=O)c3cc(Cl)ccn3)C2=O)CC1 1856320210 LJMZRESQNLSIRZ-GOSISDBHSA-N 424.892 1.955 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC(F)(F)OC(F)(F)C3)ccc21 1856567241 ZKJKPBYNLVRNFB-UHFFFAOYSA-N 421.328 1.222 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3nccc(N4CCOCC4)n3)C2)CC1 1857241180 GQXYPGSFRLRPDM-SFHVURJKSA-N 413.522 1.590 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CCC(=O)N(C(=O)c3ccncc3F)C2)C1 1857468343 AWFVPKQZXSXDFZ-CQSZACIVSA-N 409.421 1.629 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 1862606839 AYHUQJMFHFNGKQ-SFHVURJKSA-N 413.382 1.440 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2ccc(OC)c(OC)c2)CC1=O 1872981016 DYAJYRHLEACCEH-BTYIYWSLSA-N 410.474 1.936 30 10 HDEE Cc1cc(N2CCCC2)nc(N2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)n1 1889627345 WJQCCRNOJPZMGX-UHFFFAOYSA-N 412.519 1.768 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3ccc(=O)n(Cc4ccccc4)n3)C2)c1 1889876437 YROHGDZBNRSJJU-GOSISDBHSA-N 401.426 1.852 30 10 HDEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC[C@H](Oc3nccnc3C#N)C1)CS2 1891266375 RWNXBDWDNVCLTA-KGLIPLIRSA-N 412.475 1.320 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1891403326 IAMYLWOMXBWJKN-KRWDZBQOSA-N 416.441 1.637 30 10 HDEE C=C1CC(NC(=O)OC(C)(C)C)(C(=O)NCCn2ncc(Br)n2)C1 2020892020 ZRZUZXPHPGQNNP-UHFFFAOYSA-N 400.277 1.770 30 10 HDEE C#CCOc1ccc(-n2ncc(S(C)(=O)=O)c2I)cc1 2070085654 PQYLLCGRRRSXDR-UHFFFAOYSA-N 402.213 1.892 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]1NS(=O)(=O)N1CCC(C#N)CC1 2174789516 RHOMECMTSLDRBB-RRFJBIMHSA-N 402.517 1.127 30 10 HDEE C#CCN(C(=O)CN(CC(C)(C)C)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180095657 VECSIQAXPFKZGG-OAHLLOKOSA-N 400.541 1.919 30 10 HDEE C#CCN(C(=O)[C@@H](CCNC(=O)OC(C)(C)C)C(C)C)[C@H]1CCS(=O)(=O)C1 2180137702 OQGFJPKDZHNMNR-HOTGVXAUSA-N 400.541 1.822 30 10 HDEE C#C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 2182275446 MFHXUFZIFRJERN-DTORHVGOSA-N 405.213 1.680 30 10 HDEE CC(C)S(=O)(=O)NC1CN(Cc2cscc2B2OC(C)(C)C(C)(C)O2)C1 2235516782 RULGVGAGCFQQNE-UHFFFAOYSA-N 400.375 1.559 30 10 HDEE C#CC(CO)(CO)NC(=O)[C@@H](C)NC(=O)OCC1c2ccccc2-c2ccccc21 2242275396 ULRYGXPFVZIIEQ-OAHLLOKOSA-N 408.454 1.386 30 10 HDEE C[C@@H](C=CC(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1)NC(=O)OC(C)(C)C 2243696564 COQHNENQADMORH-NSHDSACASA-N 424.332 1.667 30 10 HDEE CN(C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1)C1CN(C(=O)OC(C)(C)C)C1 2247845912 XMCIUVDFAASLHI-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3CO4)cc2Cl)OC1(C)C 2267703100 QKDAEKKXTJXGIN-VHSXEESVSA-N 405.734 1.863 30 10 HDEE CN(Cc1cnsn1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267710765 ASYLLFNTSKPAMI-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE C[S@@](=O)C[C@H](NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C 2281998964 AOIQALWPZHILGD-GWQKEKGPSA-N 400.375 1.965 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4[C@@H](O)C[C@H]4C3)cc2Cl)OC1(C)C 2282306004 HFFOHBJQCDLQDR-UMNHJUIQSA-N 419.761 1.702 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@@H]2CC[C@H]2N)c1B1OC(C)(C)C(C)(C)O1 2282492052 NHCHRQUBZDJYEM-CHWSQXEVSA-N 400.375 1.774 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCNCC2(F)F)OC1(C)C 2282494947 FNQKTPSPHUIYQN-GFCCVEGCSA-N 408.301 1.323 30 10 HDEE CC(F)(F)C1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282503142 VLVMRMYOCCBCFX-UHFFFAOYSA-N 408.301 1.859 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H](C)[S@@](C)=O 2282829873 LNXJMAKFNJHCNF-JPQMIFPKSA-N 421.415 1.791 30 10 HDEE COC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282835359 SRLZDLQIKMQXBJ-FZMZJTMJSA-N 401.721 1.952 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[C@@H](C)CO 2282837762 GWVDEYWTFSUEHX-RYUDHWBXSA-N 403.737 1.934 30 10 HDEE Cc1cc(S(=O)(=O)N(CCO)CC(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282841306 UARMCOFOPDOIPJ-UHFFFAOYSA-N 403.375 1.995 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC(SC(F)F)C1 2282854036 MJOWQLUFCLKMII-UHFFFAOYSA-N 409.289 1.048 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCCSC1 2282856957 APTFIZHFGHEMMA-GFCCVEGCSA-N 401.363 1.141 30 10 HDEE Cc1ccc(S(=O)(=O)NS(=O)(=O)C2CC2)c(B2OC(C)(C)C(C)(C)O2)c1 2284395487 LUXFYZSCQMJXKM-UHFFFAOYSA-N 401.315 1.065 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@H]1C(=O)O 2284397019 HMHCZYGVTLAADQ-WDEREUQCSA-N 401.315 1.389 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(C)(C)C(=O)O 2284408617 YFLNKUCHGFABFQ-JTQLQIEISA-N 403.331 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)O[C@H]2C1 2289384700 GZLMHKVDDVUHED-ZDEQEGDKSA-N 402.513 1.679 30 10 HDEE COc1ccc(C=N[C@H]2CS(=O)(=O)C[C@@H]2NC(=O)C(Cl)(Cl)Cl)cc1 2294703357 HACFRBFDVVSBHH-RYUDHWBXSA-N 413.710 1.766 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC(F)(F)CN1S(=O)(=O)c1cccnc1C#N 2296366149 GCPSGYZHKUXHRZ-NSHDSACASA-N 402.423 1.876 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](Nc2cc(B3OC(C)(C)C(C)(C)O3)c(F)cn2)C1 2304809448 MJDQAGPYMYFOAW-CABCVRRESA-N 423.294 1.912 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccn1C 2330785535 BVQQKJLQPQTHKS-UHFFFAOYSA-N 419.555 1.876 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)C[C@@H]2C[C@H]1N(C(=O)OC(C)(C)C)C2 2365207976 BMVHYUULEQNMBB-HRLGVUPISA-N 400.541 1.161 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C12CCC2 2365209815 GUVCGJFFIUUKQE-KUHUBIRLSA-N 400.541 1.435 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367782713 AQRKJPQUQBVYQM-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367789995 FQFWRYGHGMLJHF-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1(C)C 2367814030 ACGDNMQFXCCKSV-LPMFXHHGSA-N 400.541 1.339 30 10 HDEE COc1cccc(/C=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)c1O 21319052 ZUMSRRSEKHQGFE-DNTJNYDQSA-N 417.451 1.154 30 10 HDEE COc1cc([C@H]2/C(=C(/O)c3ccco3)C(=O)C(=O)N2CCOCCO)ccc1O 103101634 MYOTUVTUPDOBMG-HMNTXPNISA-N 403.387 1.424 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 111225289 VPVYLNVXMBCSAT-DLBZAZTESA-N 424.592 1.841 30 10 HDEE N/C(=N\O)[C@@H]1CN(C(=O)c2cc(Br)c(Br)s2)CCO1 128896781 PSUUTXWBQXVIPD-LURJTMIESA-N 413.091 1.861 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1F 409750060 JITFKVQUZGQLGZ-GHMZBOCLSA-N 402.386 1.170 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@@H]1c1ccnn1C 410292041 VZPUCEDYZCHWEA-KBXCAEBGSA-N 401.492 1.712 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC1CCN(S(=O)(=O)C(C)(C)C)CC1 427341626 GILXTUKJNGGMFR-IBGZPJMESA-N 415.556 1.957 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1 435264080 URWOPGXWKBOBAR-GUXCAODWSA-N 408.520 1.950 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)n1 441802037 NQOBVNVUWOBZQK-GFCCVEGCSA-N 422.898 1.930 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO1 461138745 GGHGQBKETJSHRY-CVEARBPZSA-N 419.493 1.829 30 10 HDEE COc1cc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1C#N 462477932 AOCIPLMISNEDJR-FQEVSTJZSA-N 422.485 1.836 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC(C(=O)N2CCCC2)CC1 479880831 BDTSWYBSXLCRNW-HNNXBMFYSA-N 418.519 1.086 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@H](N2CCOCC2)C(F)(F)F)cn1 480051269 NOHDCJAQAAWEBK-AWEZNQCLSA-N 409.372 1.524 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3ncccc3C#N)CC2)ccc1F 511500201 RIGGQGYISWWSBI-UHFFFAOYSA-N 403.439 1.426 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)CC1 520925953 HDTOLDMFJOJYBD-UHFFFAOYSA-N 419.489 1.184 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)NCCCC)cc2C1=O 520989567 QRAKIIYJLAIHGQ-MRXNPFEDSA-N 401.488 1.900 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1 534830816 VRYRMKPSACJWTP-AZUAARDMSA-N 419.957 1.715 30 10 HDEE CS(=O)(=O)c1ccc(N2CCN(c3cccc(C#N)n3)CC2)c(S(C)(=O)=O)c1 546877765 PUHKKCZNQOTRPR-UHFFFAOYSA-N 420.516 1.087 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 552629386 IGIAFJCALOSGTD-VGOFRKELSA-N 417.554 1.178 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 559007400 MIMJIDPBNHSKKO-UHFFFAOYSA-N 421.461 1.837 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 567064459 UGKQBQMDYDZMBI-MJGOQNOKSA-N 406.504 1.157 30 10 HDEE COc1cc2c(cc1F)CC[C@H]2NC(=O)CNS(=O)(=O)c1cccc(C#N)c1 580020198 GJTITDLXWDSKIR-QGZVFWFLSA-N 403.435 1.788 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC(C(=O)NCC(F)(F)F)CC2)c(F)c1 584445100 LOTGXTUUMHAGBL-UHFFFAOYSA-N 407.389 1.918 30 10 HDEE Cc1ccc([C@H](CNC(=O)C(=O)NCc2ccc(C#N)cc2F)N2CCOCC2)o1 585695043 SOSHOVSXSWIFPK-SFHVURJKSA-N 414.437 1.405 30 10 HDEE C[C@@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1n1ccnc1 587664400 IDGKXYLGKZXMPP-APWZRJJASA-N 421.505 1.344 30 10 HDEE N#CC(C(=O)NC1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 590914141 KSGUPIORRRHJKM-KRWDZBQOSA-N 424.526 1.046 30 10 HDEE CCn1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c1C 608874591 BUPRTRTYCYMIGQ-UHFFFAOYSA-N 401.492 1.538 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1cccc(OCC(F)(F)F)c1 732444016 GSONJRHTGQHIKE-NXVVXOECSA-N 412.368 1.953 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)NS(=O)(=O)Cc1ccccc1C#N 732492966 FDSWDVODDHSGQB-UHFFFAOYSA-N 413.502 1.130 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC 733672697 AFJBMGVGPRFKGN-UHFFFAOYSA-N 407.492 1.338 30 10 HDEE CCOC(=O)[C@H]1CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CCO1 741244369 ABPDRFMASXYYJW-GOSISDBHSA-N 414.462 1.820 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 742278877 NEAUJXLDHCBVQO-JTQLQIEISA-N 412.316 1.813 30 10 HDEE C[C@H](CC(=O)NCC(=O)NC1CCCCC1)/N=C1/NS(=O)(=O)c2ccccc21 742596492 ZQJWUOLKGWITCN-CYBMUJFWSA-N 406.508 1.069 30 10 HDEE Cc1cc(N2CC[C@H](OC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)C2=O)n(C)n1 744705718 SHJAWQCBYDVKQS-KRWDZBQOSA-N 421.461 1.541 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 747336108 NLBRBUILHLUCCZ-UHFFFAOYSA-N 422.510 1.869 30 10 HDEE Cc1ccc(-n2cnc3c2CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C3)cc1 753512036 GWFYGZYCVKSTCK-MRCUWXFGSA-N 420.473 1.775 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nnc(C3CCC3)n2C)ccc1F 764353946 NPAPTPQPPFTKLW-UHFFFAOYSA-N 407.471 1.616 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 764539940 QQZPKUKMNKMQAL-HRCADAONSA-N 413.540 1.464 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 767166176 HJZNJEGTEFXLQN-QGZVFWFLSA-N 407.392 1.876 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(OC)c(O)c(OC)c2)ccc1F 769385517 SVVMFGFNXIPECQ-UHFFFAOYSA-N 424.450 1.943 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 770675068 MTVPKLYJJDZINP-IBGZPJMESA-N 414.506 1.092 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)[C@@H](C#N)C(=O)N2CCCC2)C1=O 771582453 LWNUKRLSVMTXRS-SPLOXXLWSA-N 412.446 1.102 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc([N+](=O)[O-])c1F 771723818 QLLRFEPYEQZUMH-UHFFFAOYSA-N 405.411 1.820 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CN1C(=O)N[C@](C)(c2cccc(C#N)c2)C1=O 774681178 ZHRQYRDEKNQSRK-CSODHUTKSA-N 414.462 1.325 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 793197795 SGYBIOPGEXMVME-OAHLLOKOSA-N 407.467 1.357 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=O)C2(c3cc(F)cc(C#N)c3)CC2)cc1C(N)=O 797017809 QZSNBRUHVVKVQI-UHFFFAOYSA-N 401.419 1.641 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@@H]1CCC(=O)NC1=O 798594500 CELXDZUEYZYFET-LLVKDONJSA-N 411.208 1.447 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@@H](C(F)F)C1 801420459 WSQURUAZZIRTDT-CQSZACIVSA-N 415.462 1.778 30 10 HDEE CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 801937162 FVBMJLYEVIFPKN-HNNXBMFYSA-N 414.539 1.435 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@@H](Oc2ccccc2C#N)C(C)C)nn1 811091474 CBLYCCSWPKHUMC-QRQLOZEOSA-N 400.435 1.883 30 10 HDEE CC(=NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc(S(N)(=O)=O)cc1 916284223 ROYOAKFEKUJTQG-UHFFFAOYSA-N 406.489 1.451 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCCc3nnnn3-c3ccccc3)cc2C1=O 918812624 QYNPXCVQUGRJEB-UHFFFAOYSA-N 403.398 1.844 30 10 HDEE Cc1cc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc(C)c1C#N 1125031096 LZGFDPOGGLUTGE-UHFFFAOYSA-N 412.471 1.548 30 10 HDEE CN1CCN(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1135878324 UKZIZJJNBAOGDN-DKTYTTGXSA-N 419.570 1.527 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 1136669757 OARRPFCHVFSYHM-KRWDZBQOSA-N 424.519 1.892 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 1137588389 YUBULCBYHNWJSI-MSOLQXFVSA-N 422.570 1.859 30 10 HDEE COCCN1CC[C@H](NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1147026153 FZFIYHYYMZLHOR-GWWPLSDWSA-N 406.527 1.610 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CC(N)=O)C2CCCCC2)s1 1148936702 DWWQDGRJQKDMIM-HNNXBMFYSA-N 413.565 1.695 30 10 HDEE COC(=O)C1(CCCCNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1158412652 REQGATIKOSZRJU-UHFFFAOYSA-N 407.492 1.355 30 10 HDEE C#C[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1 1159764344 USJKVKVCPZPMKT-CQSZACIVSA-N 408.863 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)CCO2 1160315014 FMMUKXIKHBGDLI-UWJYYQICSA-N 401.463 1.830 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCCN3CCO)ccc2c1=O 1161345804 OCIFLVQCBHFIDA-HNNXBMFYSA-N 402.520 1.448 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@H]1[C@H](O)c1ccccc1)c1cc[nH]n1 1163900839 CLCPSNSKIMPQTI-FXAWDEMLSA-N 414.462 1.808 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@](C)(CO)c2cccc(C(F)(F)F)c2)C1=O 1167333995 MOLAZQUZSUSPSW-QGZVFWFLSA-N 413.352 1.006 30 10 HDEE N#Cc1ccc([C@H]2CN(CCC(=O)N3CCN(c4ncccn4)CC3)CCO2)cc1 1176588052 QNIWGGNPHORFJM-HXUWFJFHSA-N 406.490 1.460 30 10 HDEE C#CCN(C(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)C1CCN(C)CC1 1178739130 FUMAZIPJGCTWAF-IBGZPJMESA-N 419.547 1.314 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)N3CCN4CCOC[C@@]4(CO)C3)c2)c1 1178898753 OENKHLAWLPVRBA-QHCPKHFHSA-N 407.470 1.656 30 10 HDEE Cn1ccnc1[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1F 1180160692 HJISXSOOAXTXET-QTIQAUKSSA-N 415.400 1.820 30 10 HDEE CN1CCC(NC(=O)CN2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1 1195892953 JWLUFFANSGDIRZ-UHFFFAOYSA-N 407.522 1.281 30 10 HDEE CCS(=O)(=O)Nc1cc(OC)ccc1S(=O)(=O)N1CCC[C@@H](CC#N)C1 1212472944 HDGGKVCFBKDRKU-ZDUSSCGKSA-N 401.510 1.771 30 10 HDEE C#CCOc1ccccc1NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1216744139 XVXFFXDIFANHST-RDYUPDBUSA-N 420.487 1.719 30 10 HDEE CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248376234 UNYBAYOFZFWXKE-VQTJNVASSA-N 419.485 1.316 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nccc(C(F)F)n1 1286276712 YMESHCBZLOFVJP-MNOVXSKESA-N 413.454 1.122 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1286358050 GINKOISLDVEMDS-OKZBNKHCSA-N 403.527 1.911 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1Cc1nnc(CC)s1)[C@@H]1CCS(=O)(=O)C1 1286389863 RXJRZLUGJQSGDS-CQSZACIVSA-N 420.564 1.635 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1286499569 MNEVGAPKTNLREJ-IBGZPJMESA-N 424.530 1.524 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1286968404 LFQUVJUPMUXNKE-NFSBEEMKSA-N 413.482 1.642 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC1(O)CCOCC1 1298328078 DPLFIEBMOSJIEB-UHFFFAOYSA-N 424.505 1.450 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)(F)F 1300283494 NAPCNRUIIXZKPW-LLVKDONJSA-N 410.356 1.990 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCN(C(=O)OC(C)(C)C)C1CC1 1300472022 VPTOIKGPBDVTCX-UHFFFAOYSA-N 416.526 1.869 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnccc1OC 1300554431 CWEJMIIKSFCHNE-UHFFFAOYSA-N 415.457 1.840 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1300760804 GWEAHDUIVPSBPZ-OWCLPIDISA-N 414.597 1.796 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cncc(C)n1 1300914455 AJKAULJCZFTLRT-KRWDZBQOSA-N 415.519 1.741 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cccnn2)CC1 1301248528 HCXMOTDKOUYDHR-UHFFFAOYSA-N 408.510 1.993 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1301258704 YLDAOHMISJGAAY-LJQANCHMSA-N 423.521 1.968 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCCS1(=O)=O 1301298114 YVXDLPIJKBPZPX-QGZVFWFLSA-N 419.507 1.448 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC[C@]2(CCOC2)O1 1301412737 JBHXDAZDSAOQCN-DYESRHJHSA-N 421.542 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C)C2(CCC2)C1 1301586166 QORJQICZLDZSFG-CVEARBPZSA-N 421.567 1.847 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(C)C)C1 1301595042 MBKZCIFQBMSGQX-LSDHHAIUSA-N 417.601 1.669 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1COCCO1 1301976255 LLNJWJQVZUEYPG-APWZRJJASA-N 415.494 1.926 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OC)c2ccccc2C(F)(F)F)CC1 1302924323 KOBAULQSYVZBBE-HNNXBMFYSA-N 419.425 1.005 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C[C@@H](O)CC3(C#N)CCOCC3)C2=O)c1 1307563919 FPYMTCJWGDWZNE-FXAWDEMLSA-N 417.506 1.812 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CC(N)=O)C2)n(-c2cccc(F)c2)c1C 1307978296 MHFYQRKCIWLQCR-QGZVFWFLSA-N 413.453 1.620 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCN(c2ncc(I)cn2)CC1 1307981874 DMVWTGRABTURAK-LBPRGKRZSA-N 402.236 1.321 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)C(=O)OC 1309572677 FSXNXLPKRBZFQV-LLVKDONJSA-N 405.226 1.509 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1314530038 GYOSBUPMRNCBIS-MRXNPFEDSA-N 417.491 1.251 30 10 HDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 1315751197 CCPPWLOJIJWARX-YJBOKZPZSA-N 410.478 1.605 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1342279530 PVHBPKNGNDEHNY-JTQLQIEISA-N 409.327 1.592 30 10 HDEE Cc1cc(C#N)cc(C)c1C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 1356156261 ASDCQVAVLMAVGZ-UHFFFAOYSA-N 412.471 1.548 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(-c2nc[nH]n2)cc1 1358895389 IOHCLDGNJHWTPJ-OAHLLOKOSA-N 404.478 1.692 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(C)CN(C2CC2)C1=O 1358984268 OKGIGQGQJMOVRN-QHCPKHFHSA-N 424.549 1.670 30 10 HDEE C#CCSCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1359058100 SOCLERFOBYHKQO-FUHWJXTLSA-N 404.584 1.196 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](C)C1 1359187228 GJDHVGIOMYDUBC-IAGOWNOFSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCO[C@H](COC)C1 1359296542 MKATZKPTHBKWJZ-KRWDZBQOSA-N 401.467 1.108 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1359471962 CRRDUPRTDYXBDG-RDJZCZTQSA-N 408.510 1.869 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(C)CCO[C@@H]1C1CC1 1360247574 BVQRIAOGCDCXDB-JXXFODFXSA-N 402.499 1.350 30 10 HDEE Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H](C#N)C2)s1 1361266794 GAOFTMICSQWIMF-STQMWFEESA-N 410.525 1.035 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)CCc2cnn[nH]2)c1 1441733306 DIXHFNIHVPKABQ-XLNRJJMWSA-N 404.496 1.969 30 10 HDEE C=CCC1(O)CN(C(=O)C2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 1455683826 CLUZYHBEPYAZNR-UHFFFAOYSA-N 406.504 1.439 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c1 1455840473 PYHUPPVRYUXDAA-UHFFFAOYSA-N 414.549 1.484 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCN=c1c(C#N)c[nH]c2c(F)c(F)c(F)cc12 1458617305 CDWJDFPKAMWUCN-UHFFFAOYSA-N 406.411 1.415 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c1 1459935642 RPBVVCZQMUHKNQ-MRXNPFEDSA-N 408.462 1.877 30 10 HDEE C#CCN(CCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)CC(=O)OC(C)(C)C 1460356274 OFYGFQUSOOBDRW-UHFFFAOYSA-N 409.527 1.733 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2ccc(Cl)s2)n1 1463164468 SDUONQKVHQIXSF-MGPLVRAMSA-N 410.908 1.812 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(=O)OC)c1ccc(C)cc1)c1cc[nH]n1 1463783872 LJLXWQVDYDABCQ-INIZCTEOSA-N 416.434 1.423 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3scc4c3OCCO4)CC2)cc1 1464026999 GHXIUIOIIGRWNZ-UHFFFAOYSA-N 419.484 1.538 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)C[C@H]2CN(C(=O)OCc3ccccc3)CCO2)C1 1464521062 KVCOWZICZCVNON-IEBWSBKVSA-N 406.504 1.699 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)c1 1464911797 ZRTBNWSHRQBDOS-BZIRYSOJSA-N 404.492 1.368 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(F)c(C#N)c(F)c1 1467382617 LFTQSOUZJUNPBE-LLVKDONJSA-N 404.398 1.691 30 10 HDEE CC(C)(O)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@H](C#N)CO 1468043139 KEHVGQCUBDAJQP-JLTOFOAXSA-N 423.469 1.665 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)N[C@@H]1CCN(O)C1=O 1468372097 BDFIJDHYOHDUGH-HUUCEWRRSA-N 423.267 1.084 30 10 HDEE C=CCC1(NC(=O)c2ccc(S(=O)(=O)N3CCC(O)CC3)cc2)CCOCC1 1469921033 MUACHAPSCPTEKH-UHFFFAOYSA-N 408.520 1.687 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)n1 1470481335 KVVGPXRTGQLIOW-SJLPKXTDSA-N 400.483 1.328 30 10 HDEE CC(C)CC(=O)N1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1471320697 SOYZMBGSWPSUJB-UHFFFAOYSA-N 409.483 1.844 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1471698612 OBOAGNIMFGIOLD-DZVNLGKHSA-N 424.563 1.965 30 10 HDEE CN(CCN1C(=O)c2ccccc2C1=O)CCN(C)c1cc(C#N)nc(C2CC2)n1 1472818107 VCTDYXQBGMMVCC-UHFFFAOYSA-N 404.474 1.890 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1)C(=O)OCC 1475578275 IXHITZVPCRBTHH-ZDUSSCGKSA-N 405.856 1.834 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 1475974425 UUWHYKCBDNJPMV-HNNXBMFYSA-N 408.480 1.598 30 10 HDEE C=CCN(C(=O)Nc1cccc(N2C(=O)CNC2=O)c1C)[C@H]1CCS(=O)(=O)C1 1476718554 SUZLHUYPHUQPAJ-ZDUSSCGKSA-N 406.464 1.258 30 10 HDEE C[Si](C)(C)c1ccc(CCNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1478990273 UOYWNKLEQHTHIH-LPHOPBHVSA-N 405.596 1.354 30 10 HDEE C#CCN(C(=O)NC[C@H](SCC(=O)OCC)C(F)(F)F)C1CCN(C)CC1 1479167376 UJZWUPRGEBFSQL-AWEZNQCLSA-N 409.474 1.953 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCO[C@@H](C#N)C2)CC2(CCOCC2)C1 1479296625 GWCDZBLVASKDAE-HOTGVXAUSA-N 408.499 1.727 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H]1CCCCS1(=O)=O 1492900765 AYDNXJGMZBFBJC-QGZVFWFLSA-N 415.523 1.147 30 10 HDEE C[C@@H]1COCCN1c1nnc(CC2CCCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1494595380 UKPYBYLNXUEURY-FZFLATATSA-N 414.510 1.762 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1505269991 XAGJDBHWYWBFJG-PGVRVYGSSA-N 423.477 1.074 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC(=O)N[C@H]4CCCC[C@H]43)n2CCOCCCO)cc1 1505317809 PXMYKXLJRPFKQQ-RBUKOAKNSA-N 424.505 1.463 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCCCO2)nnc1N1CCC(F)(F)C1 1505354089 MICHRTVXPGDJAY-AQTLKONXSA-N 422.436 1.892 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1cccc(CS(C)(=O)=O)c1 1507532654 MLNVNFULGRIDQX-CRAIPNDOSA-N 402.520 1.833 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccccc1Cl 1507617026 QIUCVKAKNMLZLL-IFXJQAMLSA-N 422.938 1.811 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1507626089 CXEWMCREHPTFEA-QGPMSJSTSA-N 418.519 1.898 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H](C(C)C)N1CCOCC1 1507708716 MGKBJRCHLDMNQF-HXUWFJFHSA-N 412.538 1.783 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(C)(C)CN(C)C)CC1 1507715693 HFHFAHYZUKJUIY-UHFFFAOYSA-N 417.602 1.540 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCN(c2cncc3ncnn23)CC1 1507783459 CYPPZOQZGUJTOB-UHFFFAOYSA-N 418.303 1.513 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1507978569 OYJLUSOMRAOXCW-UHFFFAOYSA-N 409.494 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCO[C@H](C#N)C1 1508071468 CNOVHFZGJVQBQY-MRXNPFEDSA-N 417.473 1.833 30 10 HDEE CS(=O)(=O)N1CCC(CNC(=O)c2cccc(C#N)c2Br)CC1 1520916127 RLJNANRITLSIFT-UHFFFAOYSA-N 400.298 1.722 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc(OCC(=O)N2CCCCC2)c(OCC)c1 1528572140 WULIPSXPHVXWBM-GOSISDBHSA-N 400.475 1.951 30 10 HDEE C#C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCOCC1 1529513711 RQRLCYBNPJFTHD-KRWDZBQOSA-N 407.488 1.556 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)C1CC1 1539029950 NCMCSUPXMCVIRZ-CYBMUJFWSA-N 400.508 1.254 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@@]1(C)CN(C)C1=O 1539154494 HYSHDGBXHOWNPX-QGZVFWFLSA-N 405.300 1.594 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(C(OC)OC)c1 1539230995 NHCDVOLQRYWBQN-UHFFFAOYSA-N 409.490 1.829 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1539257733 WFQJSDONWVKXNE-MRXNPFEDSA-N 411.510 1.912 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCCCS(C)(=O)=O)CC1 1539444176 IDEAEDGJLDHYHB-UHFFFAOYSA-N 404.540 1.243 30 10 HDEE C[C@H]1CCc2nc(NC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)c(C#N)cc2C1 1539778972 ZWPPYNPEQWNKCP-LBPRGKRZSA-N 409.471 1.755 30 10 HDEE C=CC1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2(C)CN(C)C2=O)CC1 1539871289 KBRRAZWIFMMYGL-OAQYLSRUSA-N 409.494 1.806 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1540021009 ZACIWESSNGGLNJ-ZWKOTPCHSA-N 402.543 1.780 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCN(C)C(C)(C)C1 1540069133 JKYKAMOYTYDSRZ-UHFFFAOYSA-N 415.542 1.654 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540866684 WTMILKLCLITAQH-HUUCEWRRSA-N 415.494 1.878 30 10 HDEE CC(=O)N1CCN(CCn2c([C@H]3CCCOC3)nnc2N2CCC(C#N)CC2)CC1 1541007122 XAIQQRZRLNWPMX-IBGZPJMESA-N 415.542 1.076 30 10 HDEE CC(C)N(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1541604851 LBZKKIUULQKTGK-JOCHJYFZSA-N 407.522 1.873 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1554481081 DINSFMHFVMWRNM-ROUUACIJSA-N 410.478 1.337 30 10 HDEE COC[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C1 1555355666 JFVVCDLAYYCVRC-CQSZACIVSA-N 407.434 1.911 30 10 HDEE N#C[C@H]1CN(c2nnc(CC3CCCC3)n2CCOCCCO)CCN1C1CC1 1555995653 RKGNAPSFPNCAOZ-IBGZPJMESA-N 402.543 1.586 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1557593692 KIEVYZATYKJILR-OALUTQOASA-N 407.536 1.090 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 1558073416 RSAHFAVREBMWPK-KRWDZBQOSA-N 407.536 1.498 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)Cn3nc(C(F)(F)F)c4c3CCOC4)CC2)cn1 1558228482 YXJHGYUVERNUMK-UHFFFAOYSA-N 420.395 1.590 30 10 HDEE C[C@H](C(=O)N[C@@H](CO)c1ccccc1I)n1cnc(C#N)n1 1558739174 CINNEHNVOFWJPN-SKDRFNHKSA-N 411.203 1.165 30 10 HDEE COc1cccc(NC(=O)CN(C)C(=O)CN(C)C[C@H](O)c2cccc(C#N)c2)c1 1559976581 ZAIRTJDKLKRERZ-FQEVSTJZSA-N 410.474 1.629 30 10 HDEE C=CCOc1ccc(CNC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)cc1 1564733901 CZHKRSADOAILGW-UHFFFAOYSA-N 409.494 1.928 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)CC1 1565409379 PODIYJOLBTUILD-INIZCTEOSA-N 406.527 1.803 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCc3nnc4n3CCCC4)CC2=O)cc1Cl 1566758715 HCQJCSSRNONJRD-AWEZNQCLSA-N 412.881 1.851 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)/C=C\c2ccc3c(c2)NC(=O)CO3)C1 1567388470 XTPYCSDFLBFPCT-NDRBSLDKSA-N 412.446 1.906 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)CCS(=O)(=O)CC1 1583069344 XAOSYEWNFXFXSL-QGZVFWFLSA-N 418.515 1.678 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@@]1(O)CCN(C)C1 1587936984 FEWHMDPBECPEBP-GOSISDBHSA-N 404.312 1.844 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCOC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1588049324 FBXOPTDRVMKBEM-SJLPKXTDSA-N 422.551 1.225 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCCCO3)n2CC2(O)CC2)n1 1588723374 MDAQZADTCUPKHB-GOSISDBHSA-N 414.510 1.527 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCn2cc(Cl)cn2)CC1 1588811225 DAMMAUCSJIAYQJ-MRXNPFEDSA-N 403.918 1.477 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCCS2)CC1 1588877019 RNZKARNZQZXUHW-KSZLIROESA-N 405.568 1.653 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1588923666 IHKWIEQDDFWREI-KRWDZBQOSA-N 412.538 1.426 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2C[C@@H]2C)CC1 1588967970 CRXFDSWRFPPIHB-KANFNMMFSA-N 415.538 1.624 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1593735523 JKDPJEPWHHYUAX-QZTJIDSGSA-N 400.483 1.712 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)[C@H](C)C1 1594692885 JSPRJMZFSJHIBA-OAHLLOKOSA-N 417.535 1.982 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@@H]1CC 1594784222 URBKWMRSVKZIFZ-HNNXBMFYSA-N 413.482 1.233 30 10 HDEE C=CCCOCCn1c(-c2ccc(C)o2)nnc1N(C)CC(=O)N1CCOCC1 1594793708 PGWRUQHGQASMDL-UHFFFAOYSA-N 403.483 1.734 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1595475430 CMVYHGGFZLQYRS-MRXNPFEDSA-N 408.510 1.687 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CCOC)[C@H](CC)C1 1595516821 JVOPLRFXFGSWRG-LJQANCHMSA-N 412.538 1.794 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1597958691 FTDZNJTYBCPAGJ-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE CSc1nc(O)c(C(=O)NC[C@@H]2CS(=O)(=O)c3ccccc3O2)cc1C#N 1598440651 IVEMMSQJSKBPHM-LLVKDONJSA-N 405.457 1.345 30 10 HDEE CC(C)(C)OC(=O)C1CN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1607512844 YCVBALWAOVLXOL-MRXNPFEDSA-N 412.446 1.563 30 10 HDEE CC(C)N(CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1608026340 FNLHDNXNJZLPSE-KRWDZBQOSA-N 403.531 1.362 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC[C@@H](NC2CC2)C(F)(F)F)cc1 1611688021 MSOVSEYDAZOMOE-OAHLLOKOSA-N 405.442 1.954 30 10 HDEE CC[S@](=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1617445078 XBQVXDCIZMHXDJ-KRQILSMLSA-N 417.491 1.059 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1617735748 UHCJAQYDSJFKKG-KRWDZBQOSA-N 403.508 1.603 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1ccccc1NC(=O)C(F)(F)F 1621953151 AWUWQSXXWAVFNY-UHFFFAOYSA-N 400.400 1.067 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CCCC1 1622358436 OYXXWEJKUZXPKV-GOSISDBHSA-N 407.492 1.917 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC12CCCC2 1624024021 ZLSGVCACVZVQEA-LJQANCHMSA-N 418.475 1.902 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1624808632 CHOFOLJLBCESIU-INIZCTEOSA-N 403.435 1.604 30 10 HDEE Cc1cc(C2(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCOCC2)on1 1624819547 MIOWSIYQMQZXPI-HUUCEWRRSA-N 404.467 1.907 30 10 HDEE COc1ccc(C(=O)NCc2nc(C#N)cs2)nc1I 1626926301 NMDZBHMSVCGCFD-UHFFFAOYSA-N 400.201 1.953 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3Cc4ccc(C#N)cc4C3)c(CCO)c2=O)n1 1627599904 BYYLZRPIUOURPT-UHFFFAOYSA-N 404.430 1.135 30 10 HDEE COC[C@H](CCNC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21)OC 1629242738 NGGRHPPCCMNYJI-HOCLYGCPSA-N 411.524 1.308 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CO)cc1 1629245908 GHCTVVXCBMPAEL-AWEZNQCLSA-N 417.487 1.514 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)Cn3cnc(-c4ccccc4)cc3=O)CC2)c1 1629268565 MIYPTZUZSLETGF-UHFFFAOYSA-N 400.442 1.526 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](n3ccnn3)CC2)s1 1630655802 AZPNQCWCFZOPQH-AWEZNQCLSA-N 409.537 1.600 30 10 HDEE C=C[C@H](C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1)c1ccccc1 1633348968 ZRWGYWURUCCUJX-HNNXBMFYSA-N 405.442 1.934 30 10 HDEE C=CC1(CC(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1634791421 MOWQEVABQFQVBP-CABCVRRESA-N 415.556 1.634 30 10 HDEE C#CC[C@@]1(C(=O)N2CCCN(CC(=O)NC)CC2)CCCN1C(=O)OC(C)(C)C 1635378896 QIJTYZBRRJLGKT-NRFANRHFSA-N 406.527 1.060 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 1635494639 MGIJISRANNCYSR-UHFFFAOYSA-N 401.463 1.300 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(CCC(=O)OC)CCCCC2)c1 1635733024 XXOYJQFNIYATPH-UHFFFAOYSA-N 406.504 1.984 30 10 HDEE CS(=O)(=O)N1CCC(CC(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)CC1 1636142340 NENIWDYBKMEHRL-UHFFFAOYSA-N 420.535 1.520 30 10 HDEE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@@H]1CCN(O)C1=O 1637465217 NOMKCTHILHOGMU-OLZOCXBDSA-N 403.357 1.730 30 10 HDEE C#CCN(C(=O)[C@H](C)[C@H](C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638331524 XJTCPVSXSLBCRJ-CABCVRRESA-N 400.541 1.917 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)C3(c4cc(F)cc(C#N)c4)CC3)CC2)CCOC1 1641763901 OGNIXFGNTWTONJ-NRFANRHFSA-N 401.438 1.205 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 1644944324 QUDWRTVNHKGWSX-HOTGVXAUSA-N 402.499 1.495 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)C1 1645273421 BNJBNHVKRMTQJM-AWEZNQCLSA-N 404.467 1.782 30 10 HDEE N#Cc1c(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)sc2c1CCCCC2 1648416029 SEQBWDLPVSHNIA-DJJJIMSYSA-N 418.544 1.697 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CCN3[C@H](CNS3(=O)=O)C2)s1 1652500583 FGXRJNWXKLKOFX-LLVKDONJSA-N 422.985 1.199 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)c(=O)n1CCO 1656828565 SHXZFZVSJALWAM-OAHLLOKOSA-N 412.490 1.258 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1 1659168607 DGDLVGVJHWFGON-UHFFFAOYSA-N 401.511 1.058 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@]3(CCOC3=O)C2)CC1 1660693627 AZOZJJVKEWYNAZ-NQIIRXRSSA-N 400.454 1.174 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1 1661437422 DUUZZOWKHADJKP-UHFFFAOYSA-N 409.511 1.564 30 10 HDEE C=CCn1cc(CNS(=O)(=O)[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1662632005 XNIQMEKMYWVLHH-GOSISDBHSA-N 419.507 1.685 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](CC)c2cc(F)ccc2F)CC1 1679397967 HKWYKYZWKAOZKG-MRXNPFEDSA-N 400.451 1.211 30 10 HDEE COC(=O)N1CC(NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)C1 1680309676 DNJQLQNDYVDWFM-UHFFFAOYSA-N 409.450 1.231 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 1681528146 CSQISLASCRBFEX-RBUKOAKNSA-N 404.536 1.193 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CS(=O)(=O)Cc4ccccc43)C2)nc1 1684077042 PZIXGEVAMBNXCJ-WMZOPIPTSA-N 412.471 1.786 30 10 HDEE C[C@@H]1C[C@@H]1[C@H]1C[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1684118288 UJQBGYFAYWPTCG-XIVBQZFQSA-N 402.520 1.866 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)C1 1685177309 QKCHWNBJGBBGGN-KRWDZBQOSA-N 404.536 1.102 30 10 HDEE COC[C@@H](NC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)[C@H]1CCCOC1 1685235923 AKUBPWIAKCJXBU-DOTOQJQBSA-N 403.483 1.697 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CO1 1687755814 YLYOHLDKJJGDRO-GOSISDBHSA-N 415.494 1.936 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)C1CCC1)[C@H]1CCS(=O)(=O)C1 1689979632 FLORYJHIPCBGHW-KRWDZBQOSA-N 421.567 1.335 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ncccc1Cl)[C@@H]1CCS(=O)(=O)C1 1689991613 ALWZCFXGFGZRLN-CQSZACIVSA-N 423.926 1.595 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1690086165 TZEJDWGNHKKZLS-KKSFZXQISA-N 419.526 1.961 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@](C)(O)CC)CC1 1690140000 HXAFQNOWFCBNKN-QHCPKHFHSA-N 420.517 1.944 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)CC)CC1 1690145888 AJXZBTQMRJCJIX-LAUBAEHRSA-N 403.527 1.299 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1690299608 YZTJEWXPWJMGNK-QZTJIDSGSA-N 403.527 1.970 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(=O)NC)C1 1690321921 OQVDIWRPDZWVAL-FIKGOQFSSA-N 421.542 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1690724345 MXJUHCSPAAMTAN-CGTJXYLNSA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](CC)C1 1690731689 PSIDYKVSTFSOTL-ULQDDVLXSA-N 412.556 1.839 30 10 HDEE CC[C@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1694948971 PYATWGPQRHZBOW-MJWGMMHASA-N 402.499 1.618 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1697588352 WIZBCNPPCBEGTM-AEFFLSMTSA-N 424.505 1.521 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCO1 1697888382 FAHDIXCGTKNKGT-XERREHJYSA-N 413.478 1.208 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCn2ccnn2)C[C@@H]1O 1698443031 XQYUBYJBUVUMOK-APWZRJJASA-N 422.493 1.618 30 10 HDEE N#CCSCC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701066282 OZXUVQCFTNMXCR-IFWNTPBBSA-N 419.547 1.179 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705529360 GGRRNIFZFCNWCW-KRWDZBQOSA-N 414.535 1.758 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN(S(C)(=O)=O)CC1 1705536108 ASIAHSHFXRKWGJ-UHFFFAOYSA-N 401.536 1.558 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2cccs2)CC1 1705659925 JJDTWTXABABOTR-OAHLLOKOSA-N 416.576 1.984 30 10 HDEE C=CCCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705823710 SRMQXMUQLUQRLJ-XGHQBKJUSA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)CC 1705898596 QVUWJCFDIRSQSI-HNNXBMFYSA-N 409.498 1.705 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705906239 XSGDTHZMBLQSQV-UONOGXRCSA-N 403.464 1.347 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1710992334 BNSBQYAYKFWCRP-HKUYNNGSSA-N 404.478 1.767 30 10 HDEE COC[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCO[C@@H](C#N)C1)OC 1712156131 AFUMQUMDNXFNLN-DLBZAZTESA-N 401.467 1.268 30 10 HDEE COCC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C1 1712347463 KIPFZIIPWPORGQ-MRXNPFEDSA-N 407.482 1.756 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1722322537 UFJAIGXLYQRQMM-FIKGOQFSSA-N 401.511 1.700 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1722383400 HKUMWVBXYXGTEI-QGZVFWFLSA-N 419.551 1.120 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCOC[C@@H]1OC 1722423928 UVOWNPPGIANDJV-PMACEKPBSA-N 409.490 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCN(C)C1 1722427686 RNSBKMQJBCNMFO-JOCHJYFZSA-N 413.522 1.318 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@](C)(O)CC)CC1 1722442227 QDMOFUMRSBRMJP-OAQYLSRUSA-N 401.486 1.912 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(OC)c(OC)c2)CC1 1722442556 YZEJTAHEOZYENF-UHFFFAOYSA-N 413.522 1.830 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@H](CC)OC)CC1 1722449707 YADBUEHSBLQPMT-IBGZPJMESA-N 410.522 1.655 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@@](C)(C(N)=O)C1 1722491859 OLMBCHCPOBEIMN-PZTGFMGMSA-N 421.542 1.685 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1cccc(F)c1)N(C)C 1722631270 IWEFEFPLBUSLOR-RHSMWYFYSA-N 424.546 1.953 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCN(C)C2)C1 1722718729 VEBHWPVCTIOWMC-JXFKEZNVSA-N 418.929 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN(C(=O)OCC)CC1 1722726118 WCCPNKFOIHUZPX-OAHLLOKOSA-N 413.544 1.671 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC=C 1722738236 DBBSZPLYFSTBDY-CQSZACIVSA-N 401.558 1.152 30 10 HDEE Cc1nnc(Cn2c(COc3ccc(F)cc3)nnc2N2CCO[C@H](C#N)C2)s1 1726355226 GWRJEHDFSDBEDH-OAHLLOKOSA-N 415.454 1.933 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(CS(C)(=O)=O)CC1)[C@H]1CCOC1 1729349884 PGLLYYXCOKTIQX-KRWDZBQOSA-N 415.519 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1740533353 QWMQYPRLQLSRRQ-ZIAGYGMSSA-N 401.496 1.042 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1740627590 RBNLQXVNGJNNMI-ZWKOTPCHSA-N 422.551 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1740636578 VDJRYDCYYMDSSJ-UHFFFAOYSA-N 411.893 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCCN1CCN(CC)CC1 1740638667 NGYQKFSVTKEIRL-UHFFFAOYSA-N 405.550 1.749 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(F)c(F)c1 1740642393 WEHDHFVTNDYDKV-UHFFFAOYSA-N 413.428 1.831 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN(c2cnccn2)CC1 1740886492 JBHWECYFLBWGPI-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1740947658 ZCZNQOFWQORCMV-IBGZPJMESA-N 424.505 1.830 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](CN2CCOCC2)C1 1740956135 LLYBYAOTEONNRY-LJQANCHMSA-N 424.549 1.714 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)C(=O)NCC)C1 1740970128 FGZAWFYQDIZANW-OAHLLOKOSA-N 406.531 1.360 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCC2)C1 1740990651 YKAZHNCGWFFZMU-UHFFFAOYSA-N 406.512 1.039 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1741001168 MMQDEJKWIZEHNF-CYBMUJFWSA-N 418.523 1.592 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccc(F)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1741132587 IMARCWZTEGZGLB-BBRMVZONSA-N 413.457 1.592 30 10 HDEE CC(C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1741538684 CDZFXEOXNFXDHJ-UHFFFAOYSA-N 402.524 1.944 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCOCCN(C)C 1743363521 VLVYSAFTFHYKSU-KRWDZBQOSA-N 414.510 1.532 30 10 HDEE CN(Cc1nccs1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747800596 UKKSAZQHDVSFTM-GFCCVEGCSA-N 418.504 1.786 30 10 HDEE CNS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1 1748293936 CEKSNYMWZKDUBP-GOSISDBHSA-N 417.470 1.418 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1748662123 QGKZBSFIQZDGQZ-DZGCQCFKSA-N 409.416 1.456 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1748851891 QPADACYKDBXIEK-OALUTQOASA-N 415.563 1.508 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC2(O)CC(OCC)C2)CC1 1749016043 XKTYZUYHTHKYNL-UHFFFAOYSA-N 415.538 1.126 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1749065946 DXZPILRPQHZTKG-SIKLNZKXSA-N 414.554 1.676 30 10 HDEE C=C1CCN(c2nnc(COCC)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1749311327 MIOYSTWEWPKCHG-UHFFFAOYSA-N 412.494 1.234 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)CN(C)C1=O 1749487618 FVKKYNXBEVSYMK-OAQYLSRUSA-N 410.526 1.553 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cccc(F)c2C#N)CC1 1760153221 KYXLDOGOIJSTBB-SFHVURJKSA-N 421.480 1.980 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1760186962 BNEDNGBAKPNDBH-KRWDZBQOSA-N 419.551 1.725 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C)cc(OC)c1 1760195233 ZHWQKIMZFYNPFT-MRXNPFEDSA-N 415.519 1.326 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN(CC)C(C)C)CC1 1760257567 ZPLCBRAQCCHWRD-JOCHJYFZSA-N 418.586 1.416 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccn(C)n2)CC1 1760269787 OWEMVJBLCAUIMI-SFHVURJKSA-N 411.510 1.267 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(=O)N(C)C 1760456939 ASRQOUAZBQCAAK-UHFFFAOYSA-N 420.539 1.296 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1760516569 QRSVEOPRAHRVPM-UHFFFAOYSA-N 410.522 1.595 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@](F)(C#N)C1 1760528502 FDKMZEJAZCMIGS-KKVAFCGZSA-N 404.490 1.941 30 10 HDEE CC(C)[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1760963658 FYEBDDTUTACCHU-VGVBMJIYSA-N 414.510 1.933 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H]1CC=CCO1 1763221048 BWQFBFZCKJEXSI-RBUKOAKNSA-N 422.489 1.789 30 10 HDEE CN(CCN1CCOC(C)(C)C1)c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CC1 1767381226 WMGPFHQABYAZAL-UHFFFAOYSA-N 410.522 1.889 30 10 HDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCS(=O)(=O)C1 1768880370 POEMEPPDYCJMPC-QGZVFWFLSA-N 417.535 1.850 30 10 HDEE Cn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1769015466 CLQOPBUWNPNDTK-GOSISDBHSA-N 404.434 1.239 30 10 HDEE COCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@](F)(C#N)C1 1769660136 SZQOMGWMXALOAO-IBGZPJMESA-N 411.445 1.789 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cnccn3)n2Cc2nc(C(F)(F)F)cs2)CCO1 1770746965 DICGSJTZBAGLFU-JTQLQIEISA-N 422.396 1.987 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCCN2CCOCC2)CCO1 1770752663 ZPHYIOLDBGERKO-SFHVURJKSA-N 416.551 1.772 30 10 HDEE CCCN1C(=O)CC[C@H](C(=O)ON2C(=O)c3ccccc3C2=O)[C@H]1c1cncn1C 1772791654 DVPXAGGYPBIWRC-YJBOKZPZSA-N 410.430 1.864 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@@H]1CC(=O)N(C)C1 1849004248 VPOGKWOPKYJOAW-MOPGFXCFSA-N 402.491 1.516 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1C#N 1850159078 GNHSTXPFRGLMSH-LLVKDONJSA-N 420.413 1.614 30 10 HDEE COCc1c(C(=O)N2CCN(c3ncccc3C#N)CC2)nnn1-c1ccccc1F 1850576098 KXQXJVCUQMHGEY-UHFFFAOYSA-N 421.436 1.782 30 10 HDEE COc1nc(I)ccc1OCC(=O)NC1=CC(=O)CCC1 1851112783 BXMNKLWIPCYTQR-UHFFFAOYSA-N 402.188 1.827 30 10 HDEE N#Cc1cc(C#N)c(N2CCN(c3ccccn3)CC2)nc1NC(=O)[C@@H]1CCOC1 1851353587 VNBBKANBDKCPLD-OAHLLOKOSA-N 403.446 1.522 30 10 HDEE CCOC(=O)N1CCCC[C@@H]1C(=O)OCCN1CCN(c2ncccc2C#N)CC1 1852535153 RFPNUGKXTSLRHM-GOSISDBHSA-N 415.494 1.629 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1853676380 JMELUMVXDSYLCZ-ROUUACIJSA-N 416.522 1.015 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCO[C@@H]4CCCC[C@H]43)ccc21 1853771114 IDPXPZHSJVGFMN-IAGOWNOFSA-N 403.460 1.348 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccc(Cl)cc2)C1=O 1853828904 QHIDSGHZFWDFHB-MSOLQXFVSA-N 419.909 1.955 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccccc2F)C(=O)C1 1853953310 WGFJHRXLBLYMBR-UHFFFAOYSA-N 417.418 1.136 30 10 HDEE C[C@H]1CN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCN1S(C)(=O)=O 1853989128 CXZUMJPCQIIWKJ-YJBOKZPZSA-N 418.519 1.045 30 10 HDEE C=C(C)CN1CCN(C(=O)C[C@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)C1 1854503089 RSOHAFHBIHEYRM-AWEZNQCLSA-N 402.520 1.406 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3noc4ccccc34)C(=O)C2)C1 1854966694 GFJFNQDJCFHTPU-IRXDYDNUSA-N 409.490 1.808 30 10 HDEE COc1c(F)c(F)cc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c1F 1855018504 CPADCWZVKVCGRW-LBPRGKRZSA-N 410.396 1.385 30 10 HDEE N#C[C@H]1CC12CCN([C@H]1CCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C1=O)CC2 1855022492 BKVLMWDTMGSMLT-WBVHZDCISA-N 412.469 1.195 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@@H]1CCS(=O)(=O)C1 1855232001 VGFUOXCHSGXDBU-HIFRSBDPSA-N 423.922 1.514 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1F 1856973598 QQCMAUDLYCQVQF-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE Cc1cccc(CCC(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c1 1857026887 RECNPHJVOAQLMX-LJQANCHMSA-N 417.531 1.868 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)Cc3ccc(Cl)cc3)C2)CC1 1857042473 YVPDOYYLWYJOOB-INIZCTEOSA-N 423.922 1.823 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CC[C@@H](c4ccc5c(c4)OCO5)C3)C2=O)ccn1 1857109026 HCTOOPRTBMIQMF-AEFFLSMTSA-N 404.426 1.913 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)Cc2ccccc2Cl)C1=O 1857149996 MYQBVVLNKDEQRL-GOSISDBHSA-N 424.892 1.492 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)CN1CCOC1=O 1857489204 BOTULOPPDHKROJ-UHFFFAOYSA-N 421.475 1.141 30 10 HDEE COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCO)cc1O 1862630182 OHCLBHBAVQVNHS-GOSISDBHSA-N 413.382 1.700 30 10 HDEE CC(=O)NCCN1C(=O)C(Nc2ccccc2C#N)=C(c2ccccc2[N+](=O)[O-])C1=O 1863246230 VVPSQCRHDUYPKK-UHFFFAOYSA-N 419.397 1.795 30 10 HDEE CCCS(=O)(=O)Nc1c(C#N)nnn1Cc1cc([N+](=O)[O-])cc2c1OCOC2 1870097595 OERPMBKQVHSUSX-UHFFFAOYSA-N 408.396 1.124 30 10 HDEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)CC(=O)N[C@@H](CS)C(=O)O 1885473918 DVQQGPVRLZBRIA-GJZGRUSLSA-N 412.508 1.986 30 10 HDEE CN(C)CCN1C[C@H](C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)CC1=O 1890046327 UXHOYKXGRDGQOI-OAHLLOKOSA-N 411.424 1.614 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)nn2)n1 1891479641 AMZHBKZDJKGYSS-HNNXBMFYSA-N 404.434 1.624 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](B2OC(C)(C)C(C)(C)O2)C1 1902514573 XBLHYKQBWREMPM-OLZOCXBDSA-N 411.308 1.450 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCOC[C@H]2C#N)CCN(Cc2ccccc2)C1 1985193646 FSCWGUZDZVNUFC-XMSQKQJNSA-N 414.506 1.907 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(C#N)cc1Cl 2118172226 ZFDCUPMVAXXNPO-OLZOCXBDSA-N 401.872 1.782 30 10 HDEE CC1(C)OB(c2cnc(CNC(=O)C3(S(C)(=O)=O)CCC3)s2)OC1(C)C 2166697107 QFKAKQXDACKXLF-UHFFFAOYSA-N 400.331 1.026 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2174780227 RSPJQJUMLKLWCZ-GFCCVEGCSA-N 414.450 1.902 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nn(C)nc1Br 2214363160 NMLRDNZMJVILNQ-JTQLQIEISA-N 400.277 1.501 30 10 HDEE C#Cc1c(NS(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)cnn1C 2217862574 JAZGMTCVWRNCGA-UHFFFAOYSA-N 400.460 1.610 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)NC[C@H]1CC1(Br)Br 2224802188 AXVFDCCKWBTDBY-MRVPVSSYSA-N 409.103 1.925 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@H](CO)[C@@H]2C1 2235560016 YXOINHALYHTEQT-KLHDSHLOSA-N 401.529 1.272 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243394610 KDURDWMRCNEGSR-YRVVQQKDSA-N 410.320 1.957 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2243421939 UDBDQBSHEFZQCP-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC=CCN1C(=O)OC(C)(C)C 2247838339 GQBTWQKKUCDYES-UHFFFAOYSA-N 418.303 1.883 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 2247838343 GQTCBBLBZIDMEX-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE C[C@H](CCNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247838847 OHPYKEXAWKCMEJ-CYBMUJFWSA-N 422.335 1.752 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(CCNC(=O)C#CB2OC(C)(C)C(C)(C)O2)nn1 2250060254 GTBNLSOCHNWKKV-UHFFFAOYSA-N 419.291 1.054 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@@H]2CN(Cc2ccccc2)C3)n1 2255807622 XCIWLDNJYARPTM-HXOBKFHXSA-N 422.338 1.724 30 10 HDEE C=CC[C@]1(CN)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259552612 VPHRNYYIKPKXPX-HXUWFJFHSA-N 405.520 1.762 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC1(C)OCCO1 2267470049 FBKKYEFYDIWBCH-UHFFFAOYSA-N 413.301 1.036 30 10 HDEE Cc1nc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c(B2OC(C)(C)C(C)(C)O2)s1 2282018873 DBQFBIQKYUTEFH-NSHDSACASA-N 400.331 1.010 30 10 HDEE CC[C@H](CN(C)C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282315602 QCBNPYOYLRRQAR-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282319494 UQYYMJUEXAHVRZ-NWDGAFQWSA-N 405.322 1.449 30 10 HDEE CN([C@@H]1CCOC[C@@H]1F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282330277 XLDKVOAQHNAUCL-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H](CO)C3)s2)OC1(C)C 2282340121 BKWDJOBQAMSXIC-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE COc1nscc1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342437 HNXNEVVOXMYZGY-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE C[C@H]1SCCN(S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)[C@@H]1C 2282345193 YLNLSDYKXCDHMA-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CC1(O)CC(NS(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282507026 AVQRMVJPUBKFLF-UHFFFAOYSA-N 401.721 1.831 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3cnccn3)cc2Cl)OC1(C)C 2282829870 LMCURMDOFDLJBS-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CNCC[C@H]1C 2282835967 ZYNKIVBOEYKYSC-DGCLKSJQSA-N 400.375 1.632 30 10 HDEE CC[C@@]1(C)CC(=O)N1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839554 FUBJVJOGPJXRRH-INIZCTEOSA-N 400.331 1.673 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@@]2(C)CCO)OC1(C)C 2282845002 LOPGPTRAZDLTRJ-INIZCTEOSA-N 402.347 1.119 30 10 HDEE C[C@@H]1CNC[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854688 UZDQKWKNCWEYRH-STQMWFEESA-N 400.375 1.571 30 10 HDEE COC(C)(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282854842 WNZFNRKLQSCJOB-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE COC(=O)CCCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282865503 VFVQZMIGZOEGFH-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3COCCC3(F)F)c2)OC1(C)C 2282865717 XSVJPHIBGWAUBD-LLVKDONJSA-N 409.285 1.750 30 10 HDEE CC(C)(NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)[C@@H](O)C(=O)O 2284378052 KLPATPRYROHBDB-NSHDSACASA-N 403.693 1.655 30 10 HDEE COCCc1nnc(SCCCO)n1N=Cc1cc(OC)c(OC)c(OC)c1 2331305589 WWKVZEVZOZROEM-UHFFFAOYSA-N 410.496 1.850 30 10 HDEE C=C(Cl)CONS(=O)(=O)c1ccc(I)c(C(=O)O)c1 2335347750 WWBRGKATLSHGNK-UHFFFAOYSA-N 417.608 1.952 30 10 HDEE CCN[C@@H](C#Cc1nc(C)cs1)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2338372000 MSQHPGDVMLJGKR-KBPBESRZSA-N 401.554 1.719 30 10 HDEE C#CCN1CC[C@@H](NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338824214 YCZBZACBEWXNRN-QGZVFWFLSA-N 417.531 1.470 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](CN(C)C)NC(=O)OC(C)(C)C 2365205690 VPESXWVGXSBYIL-HOTGVXAUSA-N 403.589 1.636 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)COC[C@@H](C)NC(=O)OC(C)(C)C 2367794462 HTOZLAWHARICNH-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819848 PRHXQXSYEASVDC-IIDMSEBBSA-N 400.541 1.435 30 10 HDEE COc1ccc(C(=O)CSc2nnc(N/N=C/c3ccc(O)cc3O)n2N)cc1 20292294 BLRBYLNOFILMDD-AWQFTUOYSA-N 414.447 1.833 30 10 HDEE C=CCn1c(=O)c(N2CCN(C(=O)Cc3ccc(OC)cc3)CC2)nc2cccnc21 64579083 WXQRFWGEOPHLKX-UHFFFAOYSA-N 419.485 1.877 30 10 HDEE CN(Cc1cccc(C#N)c1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 138488474 FPSIHDUMCFQUPF-OAQYLSRUSA-N 402.454 1.992 30 10 HDEE CN(C)c1ccc(N2C(=NC(=O)[C@@H]3CCCO3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 254340841 MNDLUCWEZFUGBC-HRCADAONSA-N 409.533 1.533 30 10 HDEE Cc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1C(=O)N1CCOCC1 427327143 KKJGYDMQBLRKKF-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE COc1ccc([C@@H](C)NC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)cc1F 460614246 LWTSLMDMMLUNIZ-CYBMUJFWSA-N 422.420 2.411 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)cn1 462091033 HQHKHIFXCFNCSM-UHFFFAOYSA-N 415.479 1.217 30 10 HDEE N#Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 473442597 JGRGORCPXVUQAI-NVXWUHKLSA-N 417.418 1.402 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 474737304 NEQZMCILVVSCPF-UHFFFAOYSA-N 415.494 1.354 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1cn(-c2ccccc2)nn1 483109412 WDSQWTJAYNNFAW-CABCVRRESA-N 424.486 1.683 30 10 HDEE Cc1c(C(=O)Nc2nc3c(cc2C#N)CCCC3)cnc2c1c(=O)n(C)c(=O)n2C 484150050 XAOYJBNFRWALSP-UHFFFAOYSA-N 404.430 1.338 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N2CC(C)(C)O[C@@]3(CCOC3)C2)cc1 485043974 UWOIZWHHQPLQBM-NRFANRHFSA-N 416.478 1.729 30 10 HDEE CNC(=O)CCOC1CCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1 487143452 WWGHWXXRADVEPD-UHFFFAOYSA-N 419.425 1.883 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(CCCOCC(F)(F)F)CC2)ccc1F 488972884 OLVCJDVXPAUZSB-UHFFFAOYSA-N 409.405 1.973 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC1 489835134 DOYDSFBGHUAHIB-CTNGQTDRSA-N 413.566 1.526 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2cccnc2N2CCOCC2)CC1 499941376 VVBQNNQCFBWJGP-UHFFFAOYSA-N 407.478 1.217 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc3n(c2=O)CCS3)cc1 502447725 UJGAUSHTIQICLV-CQSZACIVSA-N 413.484 1.374 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1 503643113 MSXLNVWMBSDKOH-GOSISDBHSA-N 412.490 1.279 30 10 HDEE N#Cc1ccc2ncc(CN3CCN(S(=O)(=O)c4ccc(F)cc4F)CC3)n2c1 506718639 JJZGNIVUZGCOEC-UHFFFAOYSA-N 417.441 1.991 30 10 HDEE COC(=O)c1coc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 544718546 ITOFNFUJMKFPOH-UHFFFAOYSA-N 403.416 1.085 30 10 HDEE C=CCn1c(SCC(=O)N2CC[C@@](O)(C(N)=O)C2)nnc1-c1ccc(Cl)cc1 552492415 HAQFIDIIQIYDAU-SFHVURJKSA-N 421.910 1.325 30 10 HDEE N#Cc1ccncc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 553905375 KPPJGXWXMOMKMQ-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE C[C@@H](C(=O)N(C)CCOCc1ccc(C#N)cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O 573245584 LFUJUVSDCFVPJT-QHWILLEASA-N 411.458 1.084 30 10 HDEE C=C(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 579208907 BYDNAZURHXEDMI-FQEVSTJZSA-N 405.466 1.213 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)O)cc1C#N 579306708 DPKKHJKOCQEFAD-INIZCTEOSA-N 417.443 1.397 30 10 HDEE C[C@](CNC(=O)c1ccc(C#N)nc1)(NC(=O)c1ccc(C#N)nc1)C(F)(F)F 585749264 XDPRIQXPIVZGOF-QGZVFWFLSA-N 402.336 1.701 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586858539 BBDCZSVQIBIULX-IBGZPJMESA-N 419.416 1.497 30 10 HDEE CCOC(=O)[C@@H]1[C@H]2CC[C@@](OS(=O)(=O)C[C@]34CC[C@@H](CC3=O)C4(C)C)(C2)[C@H]1N 602989852 WSWIXQJVPSZGFH-BULDSSCZSA-N 413.536 1.787 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cccn2C)CC1 670208418 KUAPBIPZCSIJHC-KRWDZBQOSA-N 400.483 1.243 30 10 HDEE C[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCC1=NO 704002095 QSDGWDWAFHCCDA-ZDUSSCGKSA-N 407.492 1.811 30 10 HDEE CC1(C)OB(c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCNCC3)c2)OC1(C)C 725411962 NFUVOSMDUQGUCW-UHFFFAOYSA-N 420.262 1.599 30 10 HDEE Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)C2)n1 733888606 ATZYCYSLSHRRTI-DSGGYQJVSA-N 411.462 1.484 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)O[C@@H](C(N)=O)c1ccc(C#N)cc1 734566697 DMERGLWBZHLZOM-MEDUHNTESA-N 405.407 1.134 30 10 HDEE N#Cc1ccc(-c2cccc(CNC(=O)C3CCN(S(N)(=O)=O)CC3)c2)s1 739748566 AMLHCSLXIMJHBE-UHFFFAOYSA-N 404.517 1.818 30 10 HDEE COC(=O)c1ccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)[C@H](C)C2)cc1 742399533 ZTFDWFBAYAMXHS-CQSZACIVSA-N 414.487 1.707 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 752341334 XMGGJCPIEKGOEX-CYBMUJFWSA-N 419.484 1.877 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 753291963 LWVYRKZZEWUEIE-INIZCTEOSA-N 406.508 1.124 30 10 HDEE CCc1nn(C)c(CC)c1C=c1sc(=C(C#N)C#N)n(-c2ccccc2C#N)c1=O 755662338 OINLPDOGNCAXAF-UHFFFAOYSA-N 414.494 1.656 30 10 HDEE COCCOc1ncccc1NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 756343041 WGDYPTWGADNCTQ-ZFWWWQNUSA-N 405.455 1.987 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccc(C#N)o2)c1=O 758060743 LGXFNKXYBGEAAL-UHFFFAOYSA-N 415.430 1.402 30 10 HDEE C[C@H](CC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O)/N=C1/NS(=O)(=O)c2ccccc21 758317946 NQUTWOSIUDABND-UMVBOHGHSA-N 406.508 1.054 30 10 HDEE Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NS(=O)(=O)CC1(C#N)CCCCC1)C2=O 760408145 YTRBUKGDOITOAS-CQSZACIVSA-N 417.487 1.900 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 763717177 PZSYELIZZWVVGJ-UHFFFAOYSA-N 412.431 1.573 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 774194071 BNVIJRKGDBZSQK-VQTJNVASSA-N 403.548 1.731 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C(=O)O)[C@H](O)c2ccccc2)c1 776600556 JUWVQDQFDFJPSP-DLBZAZTESA-N 404.444 1.068 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(-c2csc(N3CCOCC3)n2)cc1 780280829 KLCOJMXBAIXWPY-UHFFFAOYSA-N 416.503 1.904 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H]1c1n[nH]c(-c2ccccc2)n1 780830127 XLMFCFQWXBEVCG-IENXAOORSA-N 421.461 1.845 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CC(C)(C)O[C@]3(CCOC3)C2)C1 793152290 GWXZORLZHYYYHB-AUSJPIAWSA-N 408.499 1.725 30 10 HDEE C#CCN(C(=O)c1nc(-n2nc(C)cc2C)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 793153597 KSEVAIZCHKDMCG-CQSZACIVSA-N 406.895 1.800 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 803697957 YMKOWCLQMFEDAU-JOCHJYFZSA-N 409.442 1.167 30 10 HDEE Cc1ccc(CC(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c(Cl)n1 805668829 LLXAERWZQYNBJB-UHFFFAOYSA-N 417.853 1.646 30 10 HDEE C#C[C@@H](NC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(F)cc1 812881355 OVDBHVZPZIYTOH-QGZVFWFLSA-N 418.469 1.879 30 10 HDEE C#CCN(CC(=O)N1CCC[C@](O)(Cc2nc(CC)no2)C1)C(=O)OC(C)(C)C 856715960 PAEXAHVHJQOYTG-FQEVSTJZSA-N 406.483 1.398 30 10 HDEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(NN=Cc2cc(OC)c(O)cc2[N+](=O)[O-])n1 1083971220 HOMMALKFFXLJJD-SECBINFHSA-N 423.455 1.832 30 10 HDEE CN1CCn2nc(C(=O)Nc3ccc(Oc4ccc(C#N)cc4)nc3)cc2S1(=O)=O 1125140557 ZBSZZWYATQSECD-UHFFFAOYSA-N 424.442 1.828 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@]4(COC(=O)[C@H]24)O3)cc1 1125156156 VWPAYKNJPQNKOQ-OAFZBRQQSA-N 406.460 1.152 30 10 HDEE N#CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccc(C(N)=O)cc1)C(F)(F)F 1134050307 FXJTZBVEWBOTFH-QKNOVVFDSA-N 408.380 1.750 30 10 HDEE Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1134506198 AFBRXIMSLCLXJZ-QGZVFWFLSA-N 403.460 1.924 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(CC)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 1135159506 KCXBYXMMFNOCKW-CQSZACIVSA-N 422.482 1.211 30 10 HDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1 1139659122 ZVBVSLOEDAAYNU-ZACQAIPSSA-N 413.515 1.446 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)NCCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 1142206467 ZEDQKUDSJBQRDW-ZHACJKMWSA-N 417.443 1.737 30 10 HDEE COc1ccc(C(=O)CNC(=O)CCC(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1146221472 QUKRAAORWTUXTF-NRFANRHFSA-N 423.469 1.838 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1OCCO1)C(=O)OC 1152692714 ASAOAKNQZHJGQX-KGLIPLIRSA-N 400.472 1.657 30 10 HDEE CC[C@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1157529608 BJOYUTOUBSSQEE-VQTJNVASSA-N 417.473 1.746 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)n(-c2ccc(C#N)cc2)[nH]1 1160836571 HXZTZHCPCYGNOW-IBGZPJMESA-N 400.442 1.857 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3cccc(Cl)c3S2(=O)=O)c1 1189312685 QFYJXCZMVSLIFE-UHFFFAOYSA-N 417.830 1.814 30 10 HDEE Cc1ccc(-n2c(C)cc(C(=O)Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)c2C)cc1 1189977345 LQPHOTGGAAYZLT-UHFFFAOYSA-N 420.469 1.781 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc3c(cc2OC)NC(=O)CO3)cc1 1190445494 GNKTVDNFMLAUPR-UHFFFAOYSA-N 402.428 1.517 30 10 HDEE C#C[C@@H](NS(=O)(=O)N(CCOC)CCOC)c1ccc(Br)cc1 1190716816 XBTOARKOJGHPQS-OAHLLOKOSA-N 405.314 1.553 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)NC3CC3)c2)nn1 1200814522 XMKSQDPFAOXOJF-UHFFFAOYSA-N 406.468 1.235 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCc3nc(C(F)(F)F)no3)C2=O)cc1 1226110499 FJWFLOBHBUVSGG-LBPRGKRZSA-N 408.340 1.955 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1227791003 SBWPRPVWOAWYKA-UHFFFAOYSA-N 417.466 1.528 30 10 HDEE C#CCN(C(=O)N[C@H](C)CCCNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1229032110 QCISHAYRYWUPNC-CABCVRRESA-N 401.529 1.512 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCNC(=O)CCCc2ccccc2)CC1 1230277876 FFSGOJYXQYTXHR-UHFFFAOYSA-N 400.479 1.614 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1252458801 MNFKKGKURSCFSQ-HUUCEWRRSA-N 414.325 1.847 30 10 HDEE C#C[C@@H](NC(=O)NCc1cccc(-c2nc(C(=O)OCC)n[nH]2)c1)C1CCOCC1 1253347528 FJVZHPZWMWOHEM-QGZVFWFLSA-N 411.462 1.876 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)CCN1C1CC1 1254730963 QOWBKDXPAQORRF-OAQYLSRUSA-N 411.550 1.785 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1286392830 HNJJSRPORWMIAI-SQNIBIBYSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOC1CCCCCC1 1286408205 AARSFPHKZSBTKI-SFHVURJKSA-N 418.563 1.992 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N(C)[C@H](C)CC(N)=O)nnc1[C@]1(OCC)CCOC1 1286565309 JFAJLFZRKBOEPH-RDBAUFEQSA-N 421.542 1.612 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1 1286580336 WEXPEXQWGDSGPA-GOSISDBHSA-N 410.522 1.991 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(cccc2OC)C1 1286786237 PJWVLUTVZBZDNJ-INIZCTEOSA-N 410.478 1.103 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2C[C@@]2(O)CCN(C)C2)C1 1286811860 IYQASHMLDIZMEH-FXAWDEMLSA-N 418.567 1.482 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1286821591 PUGXPKLFFZGCLC-ZDUSSCGKSA-N 410.462 1.989 30 10 HDEE CC(C)COCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1287841374 GWEHEABIKHLBLB-QZTJIDSGSA-N 415.542 1.468 30 10 HDEE Cc1nnc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)s1 1290697482 AYNQNCKHEXYUKR-SUMWQHHRSA-N 421.552 1.519 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnc4n3CCOC4)C2)C1 1297303406 GNLKLXLPDZMKQN-DMAKZNTKSA-N 416.482 1.211 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@]2(O)CCCN(Cc3ccccc3)C2)n1 1297349448 CAFDYJWCDAUBGA-HSZRJFAPSA-N 410.518 1.518 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)c1 1297621362 GEACIOIJWISZGB-UHFFFAOYSA-N 418.457 1.816 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCOCCCO 1299909487 BJROCOQXISYJIF-HNNXBMFYSA-N 421.885 1.735 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1300286202 FUKDHMLBIUNZPP-SJKOYZFVSA-N 409.899 1.001 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1300294915 BCDREMFOQGLHTO-DLBZAZTESA-N 420.521 1.805 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1300409811 JZZISMCUHPGSQZ-AEFFLSMTSA-N 416.551 1.396 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCOCC1 1300559401 POFPDTLQCGGFAA-JOCHJYFZSA-N 416.522 1.323 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1nnc(CC)s1 1300579059 MLNWSHHOMPPEAK-UHFFFAOYSA-N 423.502 1.931 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(COC)CCOCC1 1300648743 ISDMBILXUBIBPB-UHFFFAOYSA-N 419.526 1.043 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCCCO)CC1 1300688725 KJHBCMRAUGEEMW-UHFFFAOYSA-N 413.522 1.880 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300698544 UVODANKFOVPLCB-UXHICEINSA-N 422.533 1.242 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@@H](COC)O[C@H](C)C1 1300777741 BOUSZBPYTCBGSZ-OWSLCNJRSA-N 424.567 1.609 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300988302 ASGBUXVTSURNNF-UHFFFAOYSA-N 402.543 1.539 30 10 HDEE C=C(C)COCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCOCC1 1300990152 UDLRGBRXCCJRSS-UHFFFAOYSA-N 413.526 1.881 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 1301397399 UOYBAYXUSFIFLG-UHFFFAOYSA-N 415.586 1.605 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1301462794 DQUUMWUXBANIRA-INIZCTEOSA-N 402.524 1.647 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](C2CC2)C1 1301596687 VWMVIMQOTBZDMW-BZSNNMDCSA-N 424.567 1.839 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1302978201 HILHDLQROIFQAW-HNAYVOBHSA-N 419.482 1.570 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCC[C@H]2C)cs1 1304675097 ZNLDMGBLJONZLE-NRXGSXMXSA-N 402.524 1.914 30 10 HDEE Cn1c(C[C@@H]2CCS(=O)(=O)C2)nnc1SCC(=O)Cc1ccc(C#N)cc1 1307279381 DGZRBYZPWSRYIP-HNNXBMFYSA-N 404.517 1.568 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ccc(OC)nc2)CCOC1 1314111471 DIDRSTMXIMNPPZ-UXHICEINSA-N 416.457 1.824 30 10 HDEE CCOc1cc(Cn2c(-c3cnccn3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1314162645 BTIGRRFELIIRAU-INIZCTEOSA-N 421.461 1.919 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCN1CCC(O)CC1)[C@H]1CCOC1 1314683490 MMKLQMSHKSNGED-IBGZPJMESA-N 410.522 1.889 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC1 1316535409 NIFIHAUXSFMWOP-ZDUSSCGKSA-N 403.455 1.549 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@H]2CCOC2)CCO1 1316540430 VNYLJYBNMHXOCT-KZNAEPCWSA-N 405.499 1.344 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1cnc2c(cnn2C)c1 1320443529 GQQSMVKAZOQANM-QGZVFWFLSA-N 413.459 1.748 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CN2C(=O)N[C@](C)(c3cc(C)ccc3OC)C2=O)C1 1320924280 CREXIRFAKCNBGA-YCRPNKLZSA-N 401.463 1.574 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 1325227607 HOYAPIPBGBKJDF-JTQLQIEISA-N 417.281 1.746 30 10 HDEE COC(=O)[C@@H](OC(=O)Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)cc1 1348618234 SOYXURUAGKEWHG-IBGZPJMESA-N 417.439 1.324 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1358890080 KQKRYWOBNLCKFF-CZUORRHYSA-N 423.564 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(C)=O)CC1 1358900114 BNDSXRKRGFJPBB-SNRMKQJTSA-N 403.527 1.719 30 10 HDEE C#CCCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)[C@@H](C)CC(N)=O 1358906333 DUXJQBLOIIGTOF-HNNXBMFYSA-N 417.535 1.852 30 10 HDEE C#CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@H](C)OC)[C@@H]1CCS(=O)(=O)C1 1358959309 GHSQAWYIVBHOHC-MAUKXSAKSA-N 413.503 1.478 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCc1ccc(S(N)(=O)=O)cc1 1358975575 WKLJQTBWJLJRSP-UHFFFAOYSA-N 408.487 1.236 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NCCC 1358984097 IKJRNQQDZGNZEQ-UHFFFAOYSA-N 407.478 1.305 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1snnc1C 1358986556 ZCQKQFMIMOMEAL-FQEVSTJZSA-N 414.535 1.990 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@@H]2C[C@@H]2C)n1 1359027557 NLVHSHRATIFKQB-IRXDYDNUSA-N 406.494 1.874 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(C)(C)CN1CCOCC1 1359149454 AMCVNYNHLRHCTR-HNNXBMFYSA-N 410.950 1.776 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](N2CCCC2)C1 1359226360 DNBVPECJPXJNRU-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1359297189 IEZDPYRENWRTKZ-UHFFFAOYSA-N 421.505 1.969 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCCn2cc(CO)nn2)C1 1359318527 GXTNCRULTIEWGS-SFHVURJKSA-N 424.509 1.604 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CCN(C)C2=O)CC1 1359336534 TWYAKXULRSPOKP-UHFFFAOYSA-N 420.583 1.784 30 10 HDEE CC(C)(C)Cc1nnc(N(CCC#N)CC2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1359525661 KQRZPXJXQBFCFV-HNNXBMFYSA-N 401.515 1.985 30 10 HDEE COC(=O)c1ccn(CC(=O)Oc2ccc(C#N)cc2I)n1 1436073086 JNAZYPWUHDUAGN-UHFFFAOYSA-N 411.155 1.752 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(s2)CC2(CCOCC2)CC3)C1=O 1436261667 CSDRZOIOYCLKNU-UHFFFAOYSA-N 418.475 1.344 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(=O)OC 1438400903 LVGSYGSTXZHKIV-LBPRGKRZSA-N 409.489 1.536 30 10 HDEE N#CCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)cc1 1439394224 KRFNYEVOMUZBQS-UHFFFAOYSA-N 412.471 1.516 30 10 HDEE Cc1c(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cnn1CCC#N 1441416931 QCUOCRDCLMHSGM-UHFFFAOYSA-N 402.436 1.673 30 10 HDEE Cc1[nH]c(C#N)cc1C(=O)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1447977426 DPRWUIUNDCZEEV-INIZCTEOSA-N 415.494 1.879 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)Cn1nc(Br)c(Br)n1 1448580451 YTMWHHWGJIILLD-WCBMZHEXSA-N 408.094 1.901 30 10 HDEE COc1c(Br)ccc(C)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1456207039 GEBABTUQTRHCTD-ZBEGNZNMSA-N 413.293 1.777 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCO[C@H](CS(C)(=O)=O)C1 1456492908 SQMTYZMAPIILHY-INIZCTEOSA-N 405.476 1.323 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@H]3C2=O)CC1 1460026072 HBROHPHAEAVHQO-BBWFWOEESA-N 415.490 1.658 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CCCn3ncnc32)nn(-c2ccc(F)cc2)c1N 1464101905 QDMDNBMKSWWUGA-OAHLLOKOSA-N 408.441 1.683 30 10 HDEE Cc1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1S(=O)(=O)NC1CCCC1 1465872674 USVPAIUSQGZQAM-UHFFFAOYSA-N 418.519 1.414 30 10 HDEE Cc1nccn1-c1ncccc1CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1468173067 BCSDTFFWHOHZBP-UHFFFAOYSA-N 402.462 1.874 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)CC1 1473476649 IBQMIEWAHSBQRQ-UHFFFAOYSA-N 400.479 1.445 30 10 HDEE CN(CCCNC(=O)CN[C@@H](c1cccc(C#N)c1)C(F)(F)F)S(C)(=O)=O 1473742796 YCSOTZNHIRIEDM-HNNXBMFYSA-N 406.430 1.149 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)NCCS(=O)(=O)C2CCOCC2)n1 1476400971 FXYGWHDAHYJCCN-UHFFFAOYSA-N 421.454 1.598 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1CCCc2c1ccc(=O)n2C 1478904697 FOJKXQJCNDFJSJ-HOCLYGCPSA-N 407.478 1.345 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)CN(C)C2=O)C1 1503725452 MERZNWICZRXMKQ-VXKWHMMOSA-N 421.505 1.257 30 10 HDEE CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N(C)[C@H](C)CC#N 1503838427 HPDGQXQCJGIWCM-MRXNPFEDSA-N 420.539 1.762 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCOC1 1505074562 UZEIQRZSJFNQBQ-XAMWDVODSA-N 405.499 1.284 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCNC(=O)Cc1cccc(F)c1 1507534481 PULTYGAYEYTHNZ-PBHICJAKSA-N 412.469 1.185 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1507698995 XRUVMGWHWMUIFL-OAHLLOKOSA-N 403.449 1.927 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CCN2CCSCC2)n1 1507717820 ZFCXDHAQVQUMPH-UHFFFAOYSA-N 403.556 1.118 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2([S@](C)=O)CC2)CC1 1507736022 DHZJBPMQFSVOTM-LJAQVGFWSA-N 414.535 1.150 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(C)COCCO2)CC1 1507737619 AVUXCQBGZJCCMG-JOCHJYFZSA-N 417.554 1.638 30 10 HDEE C#CCSCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCNC(=O)C1 1507743624 AEHHDCYRFHRWRU-UHFFFAOYSA-N 401.492 1.265 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 1507792354 YILGJLVOZZTPBM-INMHGKMJSA-N 404.515 1.064 30 10 HDEE C=C(C)COCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507848491 LFBLCGWKDZSZBP-OXJNMPFZSA-N 407.515 1.223 30 10 HDEE C=CC1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=O)NCC2CC2)CC1 1507897536 KBCLBIAFLDGTJB-OAQYLSRUSA-N 403.527 1.859 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508091112 LQJHQHZPSNJQPI-UYAOXDASSA-N 424.549 1.795 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508421433 FKDIDFLPOBQXTN-LSDHHAIUSA-N 405.528 1.161 30 10 HDEE CCCN(CC)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1514635599 HVSWQQSLYREVQA-ICFOKQHNSA-N 403.487 1.179 30 10 HDEE Cn1nc2c(c1C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1)CS(=O)(=O)CC2 1524186907 MTKGJBAOSNEAAQ-UHFFFAOYSA-N 414.365 1.914 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)C3=NN(c4ccccc4)[C@H](C(N)=O)C3)cn2)cc1 1532780139 DDCFUNKRGHCNJS-FQEVSTJZSA-N 413.441 1.862 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](C)CCCOC)CC1 1536642189 VKFAQWHWEVFJPU-MLYQTUFZSA-N 402.535 1.925 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC 1538994112 ZKADVADAINNRKT-AWEZNQCLSA-N 404.492 1.609 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H]1CCC(=O)N1 1539409318 WOLQQCIHKAAWLL-GOSISDBHSA-N 419.489 1.495 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539619474 GETZNDCXYXLVKG-APWZRJJASA-N 417.514 1.419 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1540093152 YKNSEXGRZKLAHR-CLCXKQKWSA-N 412.556 1.369 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCCN(c2ncccc2F)CC1 1540868358 BLFHFYBYUWGZJS-UHFFFAOYSA-N 424.484 1.826 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)CC1 1542906137 SEJMZVZDHYKFTK-SPEDKVCISA-N 401.555 1.013 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)C2CCCCC2)c1 1543314691 FDALFKGSQYGPJL-FQEVSTJZSA-N 421.501 1.754 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCO[C@H]1c1ccnn1-c1ccccc1OC 1544791460 GKHBGULJZVFHIA-FOIQADDNSA-N 412.446 1.874 30 10 HDEE CO[C@H](CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N)C(F)(F)F 1554623048 JBQTUNZXOMKTOR-YNEHKIRRSA-N 423.461 1.886 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1557387154 PWEXYYSIZOESDY-KRWDZBQOSA-N 424.457 1.567 30 10 HDEE C#CCCN(CCOC)C(=O)CCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1557647507 LSGOEKBNBGOTTN-UHFFFAOYSA-N 410.492 1.015 30 10 HDEE C#CC1(O)CN(C(=O)c2cc(Br)cc(I)c2)C1 1558691956 VIWXQZMNLWZASE-UHFFFAOYSA-N 406.017 1.874 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)cc2)nn1 1562436310 SNEOLNYEEJYLST-ZDUSSCGKSA-N 400.439 1.467 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)ccc1=O 1564846292 OHHLPQFXWMTMKR-UHFFFAOYSA-N 412.284 1.597 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CCN2C1=O 1566237382 AHXMLGSBHKCHCJ-MRXNPFEDSA-N 418.494 1.132 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N[C@H](C#N)c2ccc(OC(F)(F)F)cc2)C1=O 1583893261 YMVYJLQPVFRUMJ-UONOGXRCSA-N 413.352 1.678 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1cc(OC)c(OC)cc1I 1584771329 SXROXBXZENRAST-SNVBAGLBSA-N 401.200 1.783 30 10 HDEE C#CCN(C(=O)[C@@H]1CCS(=O)(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1586216264 CEOJRXNTJJZOLO-KBPBESRZSA-N 413.293 1.426 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@H]3CC[C@H](CN4CCOCC4)O3)c2C#N)C1 1586961765 CATFRINGAOPNQV-PBHICJAKSA-N 418.519 1.343 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1587625828 CLXQHRDKPMGIQT-APWZRJJASA-N 407.522 1.999 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C(CC)CC)N1CCOCC1 1588006674 OVGMVVFROSOMCV-IBGZPJMESA-N 416.570 1.607 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1588386973 QZWBDEXWNMPLAC-IRXDYDNUSA-N 416.551 1.722 30 10 HDEE C=C(C)COCCn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1593763733 QDTYSIAAIOUYJF-UHFFFAOYSA-N 420.535 1.727 30 10 HDEE N#Cc1c(CCCNC(=O)CS(=O)(=O)C2CC2)nn(-c2ccc(F)cc2)c1N 1595533071 JGFSQRYVPISXDU-UHFFFAOYSA-N 405.455 1.091 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H]3OCC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1595602846 SHZDNPOXZYCMBA-LLGFUMIMSA-N 419.526 1.238 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN([C@H](C)c2nccs2)CC1 1595766506 RBBAVYSVWUTZOY-CQSZACIVSA-N 410.569 1.527 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCCOCC1 1595812120 NQCXSRSSOMNWOB-UHFFFAOYSA-N 420.535 1.705 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCN(C)C 1596831390 MUNAWUBNMUPRSK-VQIMIIECSA-N 414.510 1.965 30 10 HDEE CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1597023445 XRSUMVZOMXEWAL-INIZCTEOSA-N 406.508 1.398 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3CCCN4CCCC[C@H]34)C2=O)cc1 1611386343 XTRQDOKOHLOCQH-GUDVDZBRSA-N 409.490 1.896 30 10 HDEE C[C@@]1(C#N)CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CCO1 1617896335 ZNZCWSCBGGTGAT-XHDPSFHLSA-N 403.913 1.696 30 10 HDEE COCCOCCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1620077921 IWUZGGPFABEVSO-UHFFFAOYSA-N 421.461 1.538 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cccc(C(=O)NC)c2)s1 1628539373 YNCIVJCMCQDGAG-UHFFFAOYSA-N 421.544 1.473 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1 1629725803 DHCXVUDCTKMEQO-DOTOQJQBSA-N 404.492 1.535 30 10 HDEE Cc1ccc(C(=O)N2CCN(c3nccn3C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1629921171 UWAUOVOBCQSDHT-UHFFFAOYSA-N 410.327 1.990 30 10 HDEE CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)CC#N)CC1 1631232079 UQTJATJPQLEDRX-GOSISDBHSA-N 400.479 1.912 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H](O)[C@@H](C)c1ccccc1 1633802460 DUDGSMPZEFJXJB-YZVOILCLSA-N 401.488 1.506 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cc(I)ccc2N)CC1 1633884332 DPSNSGRDTBQPTQ-UHFFFAOYSA-N 411.243 1.475 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1N)OCC 1636288773 LWSUFWNMJZVVGO-SFHVURJKSA-N 413.478 1.950 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)CC1 1636475804 XYVKQFKKEXIHSE-OAHLLOKOSA-N 414.531 1.518 30 10 HDEE C#Cc1ccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)c(Cl)c1 1636512700 PGDSRMUBYJXSQA-LLVKDONJSA-N 405.863 1.726 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1640062871 ZNGBECZCDVCNOP-PPHDSNJXSA-N 408.417 1.693 30 10 HDEE N#Cc1ncc(N2CCN(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)nc1C#N 1640438566 MVPMRQSXYABEAU-UHFFFAOYSA-N 416.489 1.280 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C/c2ccccc2C(F)(F)F)CC1 1643372462 MSWUPDNMVBRGLH-BQYQJAHWSA-N 401.410 1.330 30 10 HDEE C#CCNC(=O)CCN(CC)[C@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1643852615 FBWAWKKWLMZVEU-QGZVFWFLSA-N 408.543 1.306 30 10 HDEE COc1cc2c(cc1O)CCN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C2 1644856894 CFLAXLBAXPPWCA-UHFFFAOYSA-N 400.456 1.772 30 10 HDEE C=C1CN(C(=O)c2cc(S(=O)(=O)NC[C@@H]3CCCO3)ccc2Br)C1 1645280873 VYFFOLLQMVBSLL-LBPRGKRZSA-N 415.309 1.918 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCO[C@H](CN2CCOCC2)C1 1648037148 KSGYGDPSQYEOJD-GOSISDBHSA-N 400.479 1.227 30 10 HDEE CN(C[C@H](O)CN(C)[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)OC(C)(C)C 1648041033 IEYYYAGUKZPACJ-CABCVRRESA-N 408.524 1.885 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1 1651325711 SKIGWGIRUDTCMI-KRWDZBQOSA-N 421.906 1.865 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1)C(=O)OCC 1663611234 NKLIEDFYCIEFNZ-LBPRGKRZSA-N 420.278 1.873 30 10 HDEE C=CCn1cc2ccc(NC(=O)NC[C@]3(C(=O)OC)C[C@@H]3S(C)(=O)=O)cc2n1 1664853858 KVBONWNIZRXFBR-MAUKXSAKSA-N 406.464 1.320 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 1665185567 MIKPUSOSFPZZEK-UHFFFAOYSA-N 417.325 1.873 30 10 HDEE C=CCCn1cc(CNS(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)nn1 1665451183 HVTWBFMLPDUANO-UHFFFAOYSA-N 401.492 1.632 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(Br)c(F)cc2OC)C1 1665457096 GMLIGDYMGOCDFS-NSHDSACASA-N 405.289 1.973 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1677029152 CTWNBPQUCXOQRT-GOSISDBHSA-N 420.579 1.862 30 10 HDEE C=CCN1CCC(NC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CC1 1678390673 KJPRWYRJQBRZEO-CJNGLKHVSA-N 409.474 1.788 30 10 HDEE C=CCn1cc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)nn1 1680990625 UMVXMHNHKRCKCM-ROUUACIJSA-N 404.902 1.989 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)[C@H]1Oc1ccccc1 1681555361 AXIOROYPBRYRQM-AUCSYDQHSA-N 419.503 1.191 30 10 HDEE C#C[C@H](NC(=O)NCc1nnc2c(=O)n(C)ccn12)c1ccc(Br)cc1 1683681204 MIYJDSSDGNMTGF-ZDUSSCGKSA-N 415.251 1.364 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCc3ccc(Cl)c(Cl)c3)C2)c(=O)nc1O 1684029392 ILRYRTJGYZNUTC-UHFFFAOYSA-N 408.245 1.936 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)N1CCOCC1 1689842323 YLNUEMMXUXEVMT-HNNXBMFYSA-N 413.478 1.279 30 10 HDEE C#CCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CCOC)CC1 1689932193 UALBVAFJFURABJ-FQEVSTJZSA-N 411.506 1.972 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1689979984 JXJVKOSERUJMJN-AWEZNQCLSA-N 418.510 1.874 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CCC1 1690034751 QKIHALFCQJTQRM-ONOMSOESSA-N 418.563 1.694 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC(=O)N[C@H](C)CC)CC1 1690123953 ANLPXHXGJCGCSU-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)C(C)(C)C)CC1 1690134826 HHIQOYXNOZKZJI-MRXNPFEDSA-N 409.556 1.098 30 10 HDEE C=CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1690496349 OURKYRMIQNRBCT-RXVVDRJESA-N 416.526 1.998 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O 1690603414 AVPXNTXDOXAJIG-NRFANRHFSA-N 414.510 1.723 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(C)C)n1C[C@]1(O)CCS(=O)(=O)C1 1690605853 ZMIMOAVRARUKKB-LJQANCHMSA-N 408.524 1.779 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1690667022 OBNQBPURIFMNJR-SJORKVTESA-N 412.469 1.634 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)CCS(C)(=O)=O 1690723228 LLHGJUFNZKEYSM-UHFFFAOYSA-N 404.558 1.017 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccn2)CC1 1690726733 JWKDZQZEEKJCMY-UHFFFAOYSA-N 416.551 1.553 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2CC)n1CCS(=O)(=O)N(C)C 1705502287 VDZQYDIAOMWHMC-MRXNPFEDSA-N 419.551 1.769 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1705563849 GXFOSMHNANSKEL-GOSISDBHSA-N 424.530 1.846 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C2CC2)c1 1705573709 MHKNPUGZHFFQPX-INIZCTEOSA-N 411.531 1.887 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCS(=O)(=O)C1 1705611456 DXIGNHFWQKWLJM-CQSZACIVSA-N 419.507 1.290 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCC1 1705612808 PKEKZYKCGBHMSX-DLBZAZTESA-N 407.540 1.427 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCS(=O)(=O)CC)CC1 1705647557 GTATZLAPWXTZKC-UHFFFAOYSA-N 423.583 1.267 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OCCOC)C1 1705658542 SPDHDRYZCFPHIU-KRWDZBQOSA-N 404.540 1.677 30 10 HDEE C=C(Cl)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@@H](C(N)=O)C1 1705751877 APBZVUFUXDBEFU-GFCCVEGCSA-N 423.930 1.302 30 10 HDEE C=CCN(c1nnc(-c2noc3c2COCC3)n1CCNS(=O)(=O)CC)C1CC1 1705852884 IJPNZFUGSPCURP-UHFFFAOYSA-N 422.511 1.100 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(c2ccc(C(C)=O)cc2F)CC1 1705904149 GXDHCXBPVJECNN-UHFFFAOYSA-N 414.485 1.811 30 10 HDEE C=CCSCCn1c(CC(C)C)nnc1N1CCC(NS(C)(=O)=O)CC1 1705947045 YJUUFJIOXAOCAG-UHFFFAOYSA-N 401.602 1.914 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1706069959 INNYWBSHJFTXEN-LZJOCLMNSA-N 416.526 1.838 30 10 HDEE CC(C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccccc1S(=O)(=O)N(C)C 1706326269 BOZPSZFXAZWXIL-INIZCTEOSA-N 418.523 1.429 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1706852203 ANLUMKORJDBYPV-HUUCEWRRSA-N 419.555 1.346 30 10 HDEE CCOCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1710805176 LOSCORPIRSUAOL-PKOBYXMFSA-N 424.505 1.870 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccncc1 1712454063 HBUKAMRLPLPMSF-QGZVFWFLSA-N 418.523 1.184 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCc1n[nH]c(C)n1 1712639788 KOAVPYGHOLTYPL-DHSIGJKJSA-N 404.450 1.113 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CCSCCCO)cc1 1712880698 FDIMEVBNXVJBON-UHFFFAOYSA-N 405.549 1.501 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)n1 1722293477 NFOOWUBWQTXHAQ-MRXNPFEDSA-N 404.478 1.473 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H]1Cc2ccccc2O1 1722401180 OHYKWJFSRQHLBP-LJQANCHMSA-N 403.486 1.867 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CC(=O)N(c2ccccc2)C1 1722429042 MLZXOXZRJUMUPO-RTBURBONSA-N 423.517 1.921 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCO[C@H](C)C1 1722449926 VLNBZSPLGGZGKQ-HZPDHXFCSA-N 415.494 1.907 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nnnn2CC2CC2)CC1 1722564900 UEYKOXNKCOIALJ-OAHLLOKOSA-N 402.503 1.603 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)F)C1 1722685450 GZZZKXZUVISXBR-STQMWFEESA-N 405.471 1.279 30 10 HDEE CC(=O)NCCCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1722850268 DVFHAUXVRZNAQN-KDOFPFPSSA-N 416.457 1.812 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1OC 1729707051 IFHCNCGJTZUSGE-MSOLQXFVSA-N 412.494 1.441 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOCC)C1 1740591905 RFDXZSIDOYPSBM-SJORKVTESA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1740643750 SCIZJTOMCPFCQX-HSZRJFAPSA-N 402.502 1.490 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](C)N1CCN(CC)CC1 1740683121 VGXHBIFWDHGPFK-IBGZPJMESA-N 413.570 1.396 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@]2(O)CCSC2)CC1 1740706415 XHDLWIMYIQZPAY-OAQYLSRUSA-N 419.595 1.701 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCOC[C@@H]1CCCO1 1740724231 ZCGYBLMMRCLYLD-LAUBAEHRSA-N 403.527 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@@](C)=O)CCC1 1740731123 PDUWXTWWQKRMGZ-HRSKYJMSSA-N 424.592 1.474 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1740743063 KSBUYDXUJPRLLG-AGIUHOORSA-N 423.315 1.100 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)CC1 1740833577 SZXLZVFTNOOELF-OAHLLOKOSA-N 419.555 1.632 30 10 HDEE C=CCn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949560 KPWRIBCZBQYOPL-QLFBSQMISA-N 417.514 1.449 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@@H]1C 1741001169 MMQDEJKWIZEHNF-ZDUSSCGKSA-N 418.523 1.592 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCOC2)CC1 1748724346 AOEFZQUSHNQARQ-LJQANCHMSA-N 414.554 1.363 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1C[C@@H](F)COC 1748794758 JPDUSRMRSPGWEX-LJQANCHMSA-N 414.529 1.697 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C)nc1)[C@H]1CCS(=O)(=O)C1 1748802903 TVINVNLQTSGKEQ-KRWDZBQOSA-N 401.536 1.954 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1cccs1 1748803183 VULFNAYGQQBCOB-HOCLYGCPSA-N 403.508 1.563 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H](CCC)OC)CC1 1749009934 XRJWDSQJVURNGS-QGZVFWFLSA-N 411.510 1.516 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC[C@@H]1C 1749199567 QBLYDGQAXPTLIC-YJBOKZPZSA-N 407.482 1.755 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1749427870 VSKASJQZVJZMNZ-JKSUJKDBSA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1749676874 GOUUIMRYCGRFTI-MRXNPFEDSA-N 409.556 1.326 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCC(=O)NC)C1 1749711936 DLPTVLNMGDXSEM-QAPCUYQASA-N 413.478 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H]2CCC[C@H]21 1749721253 FCBQPOPKNQBBGU-DLBZAZTESA-N 421.567 1.884 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C[C@H](O)c2ccccc2)CC1 1749725042 NHKNHHHWAFHHBS-IBGZPJMESA-N 419.551 1.043 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1749754037 FEILQZVDHCSEIU-RDBSUJKOSA-N 415.585 1.406 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@@H](C)C1 1749756314 WLBFAXKZDJVTCB-SOUVJXGZSA-N 400.570 1.713 30 10 HDEE CC(=O)NCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC(C#N)CC1 1750033615 HRVPLJIWNWGQED-UHFFFAOYSA-N 410.478 1.982 30 10 HDEE N#Cc1ccc(-c2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CC(=O)NCC(F)(F)F)cc1 1750382059 AEFSDFPGAPBVPQ-OKILXGFUSA-N 422.367 1.057 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CCOC[C@H]1C 1751200489 AMDGGMUNUUSDBG-VYDXJSESSA-N 424.571 1.691 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CCOCCCO)C2 1751862845 REVSLANNZOBKIU-UHFFFAOYSA-N 408.466 1.136 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1760162951 VZNBDEKPEMXQAP-UXHICEINSA-N 400.571 1.800 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(S(C)(=O)=O)cc1 1760203261 ZDMBUCQSCHPXOC-GOSISDBHSA-N 412.515 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1Cc1ccc(C(N)=O)nc1 1760205168 RORKTFUGNRPMEP-UHFFFAOYSA-N 405.487 1.249 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccc(C)cc1 1760219162 WZASYOCBRGQPSB-HXUWFJFHSA-N 405.502 1.983 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760509831 MMKOJLPEGXEMRR-JZXOWHBKSA-N 402.543 1.741 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC(=O)NC)C1 1760549663 JMUVHIYEJQDXQF-GOSISDBHSA-N 410.478 1.646 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCN(C)C)n1 1762447544 RTKOKXOYGBVRNJ-NRFANRHFSA-N 414.558 1.848 30 10 HDEE CCc1nnc(N2CC[C@@H]3OCCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763023080 WTZFVKWSEOFUMN-JVNIUBFMSA-N 400.483 1.372 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NS(C)(=O)=O)CC1 1766578195 CSXJJUKGQFXFTE-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC#N 1769098734 HWWMKNLTJZCQIE-GFCCVEGCSA-N 401.471 1.516 30 10 HDEE CO[C@@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@H]2CCOC2)CCOC1 1769781074 HMAWVKYIKIMDNW-LAUBAEHRSA-N 413.478 1.759 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCCO[C@H]2CCOC2)C1 1770732497 YYASVHLMIRXOFV-HNAYVOBHSA-N 406.462 1.038 30 10 HDEE CON(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1771315228 UKFATDQVFWRNFR-ZZEZOPTASA-N 421.461 1.961 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N(CCC#N)CC1CC1 1771360663 CZBVLJGYKWWIEG-IAGOWNOFSA-N 422.555 1.684 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C2CC2)C1 1771366266 KEHVQPOYHCPSAC-SFHVURJKSA-N 414.535 1.992 30 10 HDEE N#CCC1CCN(c2nnc(CN3CCCC3=O)n2CCCC(=O)NC2CC2)CC1 1771538043 CGCJKAPREUAUMX-UHFFFAOYSA-N 413.526 1.589 30 10 HDEE C=CCc1ccccc1OC[C@H](CN1CCOCC1)OC(=O)[C@H]1CCNC(=O)C1 1849694396 UMPKWYQMJCQQOB-OALUTQOASA-N 402.491 1.564 30 10 HDEE COc1ccc(N2C[C@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1851165763 QKUKEDRHZQLIJJ-QAPCUYQASA-N 408.414 1.678 30 10 HDEE COc1nc(=NC(=O)[C@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)c(C#N)c(C)[nH]1 1851579227 WKXNDNGLUBAWEC-LBPRGKRZSA-N 401.373 1.353 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2COCCO2)n(CCc2ccccc2)c(=O)c2cccnc12 1852925100 IBRJEFVUDVYRAF-SFHVURJKSA-N 404.426 1.865 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3ncc(Br)cc3C#N)C2)cc1=O 1853246227 UYWQBIMAEOOEIM-LLVKDONJSA-N 417.267 1.665 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@H](N2CCC(C(=O)N3CCC(C#N)CC3)CC2)C1=O 1853675877 UBKWYYSZLIUDEZ-KRWDZBQOSA-N 413.478 1.198 30 10 HDEE CON(C)C(=O)C1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1853971773 OUQVFFHGARXXAN-IBGZPJMESA-N 412.490 1.350 30 10 HDEE C[C@H]1C(=O)N(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CCN1[C@H](C)CCC#N 1856258135 BCEQUWAWWYXWSP-KGLIPLIRSA-N 411.911 1.865 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2cnc3ncc(Br)cc3c2)C1=O 1856447702 YSDRODBQNLEYKN-AWEZNQCLSA-N 402.252 1.979 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C(=O)C2)C1 1856867046 SRLMWJTWFDTKFH-SFHVURJKSA-N 401.511 1.024 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857066832 ACDIETLPUOOPAA-VQIMIIECSA-N 413.522 1.317 30 10 HDEE CN1CC2(CCN(C[C@@H]3CCC(=O)N(C(=O)c4ccc(C#N)cc4)C3)CC2)CC1=O 1857237488 DEQINPWULSNNLS-SFHVURJKSA-N 408.502 1.881 30 10 HDEE CN(C[C@@H](O)CNC(=O)c1cccc(C#N)c1)S(=O)(=O)c1cccc(Cl)c1 1858030635 ZYAZMLCFZDEDSN-INIZCTEOSA-N 407.879 1.623 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)CCc2ccccc2)C1 1858328176 AHFFLTGEQDZPPR-SFHVURJKSA-N 419.528 1.483 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCN(C(=O)[C@H]3CCCN3C(=O)C(F)(F)F)C2)cc1 1858394461 WSZAILCGYBEHSO-DZGCQCFKSA-N 408.380 1.899 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1 1874471864 BBQRNVYVTJAAKB-VXLYETTFSA-N 422.467 1.581 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H](O)C1 1990032068 GFWLKTWDHQJQKX-HMFYCAOWSA-N 414.506 1.641 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 2010397396 LEOHRWKVNCKUHU-INIZCTEOSA-N 420.315 1.488 30 10 HDEE CC(C)(S)[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2019058792 MQZFYYNMZOWATL-CYBMUJFWSA-N 414.505 1.144 30 10 HDEE CC(F)(F)[C@H]1C[C@@H]1CS(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2166416304 FEUGWZHFDZEGSV-BDAKNGLRSA-N 409.289 1.292 30 10 HDEE CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)CCC#N 2174779076 FISOKDPHGYCYRW-KGLIPLIRSA-N 403.501 1.398 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(C#N)cc2N)s[nH]1 2187514311 PKSXWKADVNIHNE-UHFFFAOYSA-N 410.481 1.239 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2195306993 LWEXJHNPDPWFFH-FTLABTOESA-N 402.513 1.538 30 10 HDEE C=C[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCNC(=O)OC(C)(C)C)C[C@@H](C)O 2241672851 WKFKCJOTRCJQHX-KGLIPLIRSA-N 401.504 1.800 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2243107983 DTRXJPRPDHPNMH-GFCCVEGCSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243395239 SZRZJMSSGJQSPN-CABCVRRESA-N 408.304 1.810 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)n1 2243421010 CPLSDDUZSQAYCE-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)CC1 2245255986 DTPJDBORMVBSQD-CMDGGOBGSA-N 409.336 1.843 30 10 HDEE C[C@@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247816642 FBFXOLUUDZJDHS-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CCN(C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247820260 NTSHHJPHRZTEMR-UHFFFAOYSA-N 420.319 1.790 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247838260 FSUWAEAHMHBXPH-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247927104 CGFWVRZSTHNYBE-INIZCTEOSA-N 420.315 1.601 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)NCC1(CC#N)CC1)NC(=O)OCc1ccccc1 2258166224 RMLVZRLVDZHEPW-OAHLLOKOSA-N 409.464 1.068 30 10 HDEE C#CCC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258184706 GVHDMRSJMMMIND-QGZVFWFLSA-N 408.476 1.431 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC4(C3)OCCO4)cc2)OC1(C)C 2267368252 GPLDFPCXJSCMTL-UHFFFAOYSA-N 409.313 1.513 30 10 HDEE CC(=NO)c1cnc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)nc1C 2268287225 JPYFELJDRSDGGJ-UHFFFAOYSA-N 417.447 1.411 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2281807799 SREQIZUGFUDGEZ-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1scc(C)c1B1OC(C)(C)C(C)(C)O1 2282009330 PHCACAILTBFJTN-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](F)C[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282304563 MDHAWLNLYMMDHN-NWDGAFQWSA-N 405.322 1.449 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C[S@@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282317118 MSLSTSRSHOGVOA-YMXBGEKHSA-N 401.359 1.340 30 10 HDEE CC[C@H](CN(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282322136 GXOYRMMHFGUZJZ-CYBMUJFWSA-N 402.391 1.974 30 10 HDEE C[C@H]1CNC[C@H]1NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282492611 PNTZNFSWODQTGU-SMDDNHRTSA-N 400.737 1.525 30 10 HDEE CC[C@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282509507 LKGCAGWEBXVGOW-LBPRGKRZSA-N 402.709 1.181 30 10 HDEE COc1cccc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CC2(C1)OCCO2 2282590901 ISDOAQKAABACDF-UHFFFAOYSA-N 403.284 1.877 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282648877 TVKFHQSQVSATRS-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE CN(C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)C1CCC2(CC1)OCCO2 2282703496 XBLQXGVMFWTFLO-UHFFFAOYSA-N 403.288 1.534 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)C[C@@H](O)C1 2282825131 HGWABEBYXCJXAN-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE CC[C@@H]1CNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282833432 XIXUHTXUEQSSDP-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CC[C@@H](F)C2)OC1(C)C 2282846952 RDFMXRAKLPHHRI-NWDGAFQWSA-N 404.338 2.000 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@H](F)C[C@H]3C(=O)O)c2)OC1(C)C 2284399571 LXRCIGSWECXWBD-MNOVXSKESA-N 405.278 1.233 30 10 HDEE CC(C)(F)[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406980 FXPNXBXCUFCOKZ-JTQLQIEISA-N 407.294 1.527 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC(C(=O)O)C3)s2)OC1(C)C 2284415966 RZQGLOQTIUZWEO-UHFFFAOYSA-N 401.315 1.436 30 10 HDEE O=S(=O)(N=C1C=C2N(CCO)CCO[C@@]2(O)c2ccccc21)c1ccccc1 2293103961 SRIZICIGFZNFNF-FQEVSTJZSA-N 400.456 1.232 30 10 HDEE CCOc1ccc(C(O)=C2C(=O)C(=O)N(CCOCCO)[C@@H]2c2cccnc2)cc1 2296945946 YMNWTBBVVPZAPX-LJQANCHMSA-N 412.442 1.911 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1CCN(Cc2ccccc2)C1 2315601770 INOQBKXOZPDNNT-GOSISDBHSA-N 424.354 1.971 30 10 HDEE O=C(C=Cc1ccc([N+](=O)[O-])s1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 2318787190 NOAZIVCAYXDFQH-UHFFFAOYSA-N 417.403 1.891 30 10 HDEE COc1ccc(C=CC(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1OC 2325706222 UZDSOBGQCGEFNJ-UHFFFAOYSA-N 404.444 1.250 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(F)cc1 2330710775 AXNYSIBHIPOIAN-UHFFFAOYSA-N 406.487 1.896 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OCc2ccccc2)C1 2339668026 PSXBHHIWFJGUFJ-RXVVDRJESA-N 422.547 1.565 30 10 HDEE CCOC[C@](CNC(=O)OC(C)(C)C)(C(=O)O)N1CC[C@@H]2SC(=O)C=C2C1 2378927202 MMXJQNZWMWPODW-SCLBCKFNSA-N 400.497 1.645 30 10 HDEE CCOc1ccccc1NC(=O)CS(=O)(=O)[C@@H](C)C(=O)Nc1c(C#N)cnn1C 16893336 MJOMOJRZBBACDB-LBPRGKRZSA-N 419.463 1.071 30 10 HDEE C=CCn1c(=O)c(=O)n(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc21 33268680 SNZNEPMASYWBIC-UHFFFAOYSA-N 404.470 1.698 30 10 HDEE CC(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)C=CC(=O)[C@]1(O)COC(=O)c1ccccc1 85881154 WNBGLCKIRRONIV-JXHRLWIKSA-N 424.405 1.871 30 10 HDEE biogenic O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccccn2)/C1=C(/O)c1ccc(F)cc1 102696743 QMSVAIGRYCDVIZ-HQMFNGAOSA-N 411.433 1.975 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 111224623 FYHKWKBZMHQHGY-FPOVZHCZSA-N 423.517 1.154 30 10 HDEE C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)C(=O)O)[C@H]1C/C=C1/C(=O)OC[C@H]1O 253532220 LBWGMBCRIXRVEF-CCDAEICXSA-N 422.474 1.598 30 10 HDEE biogenic COCCN(Cc1sccc1Br)S(=O)(=O)N1CCO[C@@H](C#N)C1 410403039 VTFSHXNSYKXOIJ-NSHDSACASA-N 424.342 1.428 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 434056048 CGHYDALFYDHKFJ-WHOFXGATSA-N 419.425 1.387 30 10 HDEE CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)[C@@H](C)C1 440579179 HXJHAAIIMOEQGV-AWEZNQCLSA-N 407.430 1.763 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1ccccc1SCC#N 441240582 XQBDLEIXSBMYGN-DTTOXWODSA-N 417.487 1.666 30 10 HDEE Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCC2CCC(C#N)CC2)cc1C 442984066 RKIVPBBNTQZMRQ-BZWMRVRASA-N 419.547 1.874 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2ccc(C)cc2OC[C@H]2CCOC2)C1=O 445951929 HBGFLIBDIVLJMU-HNNXBMFYSA-N 415.446 1.003 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCC(N3CCS(=O)(=O)CC3)CC2)CC1 464496360 GZFWMTZHZABEDQ-IDYZSHNDSA-N 424.611 1.501 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 465194644 PXWSVHCCWWJPRG-HYVNUMGLSA-N 405.458 1.960 30 10 HDEE C[C@@H](C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1)n1cnc(C#N)n1 466943795 RNLWAKFDYMKGIP-AWEZNQCLSA-N 402.480 1.202 30 10 HDEE CN(C)C(=O)CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 471897709 SXUOSOUZNLIMBJ-UHFFFAOYSA-N 418.441 1.362 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)N[C@H](C#N)c2ccc(Br)cc2)C1=O 499421613 NPKBSKBJHBSVDX-DYVFJYSZSA-N 405.252 1.850 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 503114506 FKSMNDPQTZAPLC-OALUTQOASA-N 411.506 1.749 30 10 HDEE C[C@@H]1C[C@]12C(=O)C1=C(C(=O)[C@@H]2O)[C@]2(C)CCC[C@](C)(CC(=O)O)[C@@H]2[C@H](O)[C@H]1OC=O 504309043 ADTJBXOQJVMRCY-IZBZQDRFSA-N 420.458 1.025 30 10 HDEE biogenic COC(=O)CC1(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCCC1 511727457 NKXQWOWXDHXOTH-INIZCTEOSA-N 412.446 1.755 30 10 HDEE CCc1c(C(=O)N[C@H](CCC#N)c2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 514035548 AWSJAIDTFHCOFK-QGZVFWFLSA-N 405.458 1.969 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CSc2nnnn2C2CC2)cc1 522195592 MXTUTZGVSIYTAP-CQSZACIVSA-N 415.504 1.512 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(Br)cn2)c1=O 522241975 LLKPKRCYHYROKE-UHFFFAOYSA-N 418.316 1.959 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(Br)s2)CC1 524518609 KJLVDPXVMKTKJJ-UHFFFAOYSA-N 401.330 1.640 30 10 HDEE N#Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccc(S(N)(=O)=O)cc3)C2=O)cc1 526655527 OQRQUFQUEFJJRW-UHFFFAOYSA-N 402.819 1.641 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@H]1CCOC1 533544997 BMMYGOSIBPFBGU-OAHLLOKOSA-N 412.486 1.958 30 10 HDEE COc1cc(NC(=O)[C@H](C)n2cnc(C#N)n2)c(C(=O)N2CCCCC2)cc1OC 540792320 UKZOZDVOBRKQLD-ZDUSSCGKSA-N 412.450 1.993 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(C#N)c2)CC1 550979592 OUTBXSDWSOUDRB-UHFFFAOYSA-N 404.470 1.396 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC=C 574487958 GQAYKCUTJCDNHP-GOSISDBHSA-N 417.535 1.990 30 10 HDEE C[C@H](C(=O)Nc1ccc(Br)cc1)[S@](=O)CC(=O)N(C)CCC#N 586279873 INMZZSOWCIAHJC-QVQLBTGDSA-N 400.298 1.897 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCC2CS(=O)(=O)C2)CC1 615734909 GLXVHUCMLOARBW-UHFFFAOYSA-N 419.463 1.073 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCOCC3)c(CC3CC3)c2)OC1(C)C 725435952 WPAXJGCBFLMHRS-UHFFFAOYSA-N 407.341 1.959 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)c1 731988908 JRCKZHYIGNKOAG-UKTKYZJWSA-N 421.482 1.866 30 10 HDEE COc1cc(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1OCC(=O)N(C)C 732677235 UJJMCLDKDRWOHK-KRWDZBQOSA-N 415.494 1.044 30 10 HDEE N#C[C@H]1CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCN1C1CC1 732700719 JHBDUOYECPTGNR-XLIONFOSSA-N 410.522 1.270 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2I)CCN1C1CC1 732708874 WIASZRHWOMBEFQ-GFCCVEGCSA-N 424.242 1.428 30 10 HDEE COC(=O)[C@@H](NCc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(C#N)cc1 739989661 LLDBQGBVJFGCQJ-NRFANRHFSA-N 406.486 1.950 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)C1C[C@H]2COC[C@@H](C1)C2=O 740397707 XXFUDCWTMFAARY-GOOCMWNKSA-N 408.414 1.467 30 10 HDEE C[C@H](NC(=O)CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CN(Cc2ccccc2)CCO1 746289274 AFZQWVBGPIWCOG-PWQQTYEBSA-N 412.490 1.309 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCS(=O)(=O)CC2CC2)C1=O 764843961 DEHXCADDXFISTA-MRXNPFEDSA-N 423.560 1.887 30 10 HDEE C#CCN(C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1)[C@@H]1CCS(=O)(=O)C1 774031409 JJEOKYDIXHJYIC-QGZVFWFLSA-N 419.503 1.342 30 10 HDEE C#CCN(C(=O)Nc1ccccc1CN1CCSCC1)[C@H]1CCS(=O)(=O)C1 774040304 RGRWTFPQUHMOMQ-KRWDZBQOSA-N 407.561 1.890 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 774151768 CDFVIZFZHOWHHT-QUCCMNQESA-N 421.563 1.910 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)N2CCSC[C@H]2C#N)C1=O 775497885 LOPWTTKHZRBJRZ-YJYMSZOUSA-N 402.476 1.238 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)O[C@H](C)C(=O)C(=O)OC 778299992 XFLORSMHIJCKDR-SECBINFHSA-N 414.208 1.772 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cnc(Br)c(Br)c1 780281332 UDNHUFVYUMHJGO-UHFFFAOYSA-N 407.062 1.864 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1 780848405 MTDUUVFZEDBVDG-SFHVURJKSA-N 403.435 1.264 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)OCC(=O)NCc2ccc(C#N)cc2)C1 782414881 JRZGKWAIQAYRBF-UHFFFAOYSA-N 417.462 1.744 30 10 HDEE C=CCN(C(=O)COC1(C)CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 782457083 CEACDPHMUXSYAV-CQSZACIVSA-N 402.513 1.214 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)OC(=O)[C@@](C)(O)Cn2ccccc2=O)CC1 790681777 FNKIGGSHHNPZNN-DSIKNWQXSA-N 403.479 1.462 30 10 HDEE C[C@H](OC(=O)CN1CCOCC1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 790739147 FSOQBTFCKGBKCH-LBPRGKRZSA-N 405.476 1.618 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)c1ccc(CNS(=O)(=O)N2CCO[C@@H](C#N)C2)cc1 800080480 COENEPGCTDYSIQ-PBHICJAKSA-N 424.523 1.831 30 10 HDEE COc1ccc(C(=O)CCC(=O)NS(=O)(=O)c2cncc(C#N)c2)cc1OC 813984131 KVKXXAYRXZCHPO-UHFFFAOYSA-N 403.416 1.438 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)[C@@H](O)c1ccccc1 820092557 UPSPKPCCPLBAIJ-AUUYWEPGSA-N 401.488 1.696 30 10 HDEE C/N=C(/NCCN1CCOCC1)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 849087386 DXYITRJVLXRSJM-QGZVFWFLSA-N 405.543 1.027 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)c2cn(CCO)nc2C2CCOCC2)C1 856691405 YWHNKXYXKZTOMJ-JOCHJYFZSA-N 409.490 1.862 30 10 HDEE Cn1c(C=NNc2nc(C(F)(F)F)nc3ccccc23)nc2c1c(O)nc(=O)n2C 920369213 SXNXQNGQRKGFLT-UHFFFAOYSA-N 418.339 1.781 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCCOC2CCOCC2)c1 1125418762 MCQRXLLXXJMFFF-UHFFFAOYSA-N 414.502 1.836 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N[C@](C)(C#N)CN(C)C)cc2)C1 1128703650 NRNZDTIMYLPIKG-GQIGUUNPSA-N 406.552 1.927 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)N3CCO[C@@](C)(C#N)C3)CC2=O)cc1OC 1134268202 ZQUKZNKKOMDHOJ-KKSFZXQISA-N 401.463 1.236 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)NCc1ccc(OC)cc1 1136410559 DJLICUYHIHVVTA-QGZVFWFLSA-N 403.479 1.734 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC3(CC2)COC(=O)N3)C1 1137759768 JFCIAQRPUWFCRJ-UHFFFAOYSA-N 419.279 1.858 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCN(C(=O)CC3(C#N)CCOCC3)C2)CC1 1140303156 NSKJEYDFWDJDGM-QGZVFWFLSA-N 406.527 1.850 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)cc1 1141020280 DMMIPAQBQGCVLJ-WIYYLYMNSA-N 410.445 1.658 30 10 HDEE C#CCCN1CCN(C(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1142803793 RSIIMBVMZJGPIQ-GOSISDBHSA-N 408.543 1.210 30 10 HDEE C#CCN(C(=O)c1ccc(S(C)(=O)=O)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1155367754 WAYSFTGHQMJVLH-UHFFFAOYSA-N 421.519 1.960 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[C@H]1C(F)(F)F 1155676294 IJEGLCYFNUNEPW-GHMZBOCLSA-N 402.377 1.454 30 10 HDEE C=CCC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1155858283 SPXKXJDWTOUWCG-UHFFFAOYSA-N 417.531 1.889 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@]1(O)CCCOC1 1164441209 UHAOOLHFYCLNET-FQEVSTJZSA-N 423.535 1.333 30 10 HDEE CC[C@@H](N=c1nn[nH]n1-c1ccccc1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1165489255 KWHKIWCHWPQGEB-RTBURBONSA-N 405.462 1.338 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)Cc1csc([C@H]2CCS(=O)(=O)C2)n1 1165497193 BBLGDGSKYXNAOJ-RDJZCZTQSA-N 419.528 1.651 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCC(O)CC1 1167748888 KNUAWCAQSQDEPA-VMBOVVBDSA-N 407.536 1.951 30 10 HDEE CC(C)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1cc(C(F)(F)F)ccn1 1179656638 WJVYXSPYZYOFQH-BLLLJJGKSA-N 401.410 1.775 30 10 HDEE C[C@H](CC(=O)NC[C@H](CO)c1ccc(F)cc1)/N=C1/NS(=O)(=O)c2ccccc21 1183694873 RPOQZRAVFRVIDN-UKRRQHHQSA-N 419.478 1.535 30 10 HDEE CCOC(=O)CN(CCc1ccccc1)CC(=O)N1CCN([C@H](C#N)C(C)C)CC1 1190844854 BEDRDBSVAUPSBG-OAQYLSRUSA-N 414.550 1.787 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1ccccc1S[C@H](C)CC#N 1197201105 ANKIZCJZIKGSLT-HUUCEWRRSA-N 405.524 1.649 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(Cl)c2OC(C)C)CC1 1200357564 SIJXOPVFHRPCJK-UHFFFAOYSA-N 414.915 1.744 30 10 HDEE C#CCOCCNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 1230803788 KDOGVHUAUKYJCI-UHFFFAOYSA-N 400.523 1.306 30 10 HDEE Cn1cc(O)c(=O)cc1CNC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1262126561 JAYGFDLGDXWRMB-UHFFFAOYSA-N 423.429 1.743 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)s2)CC1 1270236472 XVCCHUYQEHXSKX-UHFFFAOYSA-N 406.508 1.769 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1286268901 BQUURMAVWXVUJI-HZUJVAHNSA-N 403.527 1.993 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1Cc1cn(C2COC2)nn1 1286305266 LFFRFUSYTQOKQT-CQSZACIVSA-N 411.441 1.665 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1286349266 GXLZFQGHPKWSPQ-INIZCTEOSA-N 409.556 1.446 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1286350156 WEYHODJFKQMYPE-KRWDZBQOSA-N 423.583 1.836 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCCN1CCCO 1286404521 VFPPOANVUHVCHA-IBGZPJMESA-N 421.501 1.593 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1286439193 QUOMPHZXBFYBRO-UHFFFAOYSA-N 420.473 1.569 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)NC(=O)OC(C)(C)C 1286460528 FBVVWVNYIBKGFF-OAHLLOKOSA-N 422.530 1.416 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCOC[C@H]2OC)CC1 1286476484 YAQGQGSAAKZXFK-FXAWDEMLSA-N 413.497 1.891 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2([S@](C)=O)CC2)CC1 1286664584 YUQSTJOHEDOCLJ-HAWMADMCSA-N 412.581 1.494 30 10 HDEE C=CCn1c(N2CCO[C@H](c3cnn(C)c3)C2)nnc1[C@]1(OC(C)C)CCOC1 1286777580 HGALHJDUUQLCQF-PXNSSMCTSA-N 402.499 1.816 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1286781010 MACYZTLKECEHFD-DLBZAZTESA-N 404.559 1.783 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CC[C@H]1COCCO1 1290859912 ZHSKNNYNSGLNBT-INIZCTEOSA-N 400.458 1.729 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC(=O)N(CCC(F)(F)F)C2)c1 1298056263 FXUIFTBHHXXQCH-UHFFFAOYSA-N 402.394 1.678 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@](O)(C(F)F)C1 1298157039 GFJIOJSJUNKGKO-SFHVURJKSA-N 415.462 1.514 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CC(N)=O)C1 1300365315 ULBASZSMHJGFQZ-HOTGVXAUSA-N 407.540 1.076 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1300425756 WXGQNKVWTTYVKT-UTKZUKDTSA-N 416.526 1.288 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1300506402 SCDCHHNSKMKMOH-SFHVURJKSA-N 418.501 1.542 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1 1300512218 OQXWNDLENSFLDY-JOCHJYFZSA-N 409.490 1.843 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nnc(C)s1 1300545558 RTFRLWZFGUMYAT-UHFFFAOYSA-N 411.516 1.551 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(C)COC1 1300618421 DWGBYHNBHKYGDF-UHFFFAOYSA-N 402.524 1.734 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1300752335 ZWBOLOQHSWMADI-UHFFFAOYSA-N 421.530 1.898 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301185789 KOBCAOKVKABLCS-HZPDHXFCSA-N 409.556 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(Cc1ccnn1C)C1CC1 1301596016 FEXIFOCUQLKBEV-QGZVFWFLSA-N 420.539 1.633 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1Cc1ccc(C)n(C)c1=O 1301969702 OEXQJGGUGBCSFN-HOTGVXAUSA-N 402.499 1.796 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1302368757 DDIPPBPWYDDGCH-GOSISDBHSA-N 423.521 1.194 30 10 HDEE CCCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1306760681 SNAROPZRUDPVKP-UHFFFAOYSA-N 403.508 1.868 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)c(OC)c2)nn1 1310319381 XSVVMJIAQGTKPP-UHFFFAOYSA-N 420.495 1.579 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(C(=O)OC)c2OC)n1 1310965179 CEZXJLWGPWXTTI-UHFFFAOYSA-N 400.435 1.992 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C2=O)cc1 1312485539 LKAXURPHDCSNGS-POXGOYDTSA-N 416.425 1.664 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc1 1315537069 JNLJOQWPAMUBSI-OALUTQOASA-N 411.462 1.940 30 10 HDEE COc1ncccc1Cn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](C#N)C1 1315678162 LFJYFIRCPUFSQU-MRXNPFEDSA-N 411.491 1.815 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3(C#N)CCSCC3)cc2)CC1 1352325137 IXOIXRXPWQPMGC-UHFFFAOYSA-N 408.549 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1358888045 GUCOJYYNJQIRPR-HSALFYBXSA-N 402.587 1.904 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1358956800 KQVVLOADLWYJMU-WMLDXEAASA-N 404.540 1.509 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C(C)C)N1CCCC1 1358978731 STJSBQZKSNTOKX-RBUKOAKNSA-N 417.579 1.373 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCc2ccccc21 1359018609 WPOQUNUDYXIWPJ-QFIPXVFZSA-N 411.506 1.336 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2C[C@H]2C)n1 1359027556 NLVHSHRATIFKQB-IAGOWNOFSA-N 406.494 1.874 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)COC)CC1 1359034047 ALGOJFNFYVTYSQ-OAHLLOKOSA-N 400.483 1.044 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1359059373 LCYYIAAFJLLDNK-MRXNPFEDSA-N 423.546 1.550 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CCS(=O)(=O)CC1 1359097730 SMPNCBVHPRHTPE-WBVHZDCISA-N 405.524 1.500 30 10 HDEE C=CCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1359225663 GYSXQXZEHZALMI-OAHLLOKOSA-N 421.461 1.915 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1Cc1nnc2n1CCCCC2 1359273904 SSGVNRIRUSLFJH-UHFFFAOYSA-N 410.526 1.945 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1CC=C(COC)CC1 1359296242 BTNUUJFKWDVTFJ-UHFFFAOYSA-N 411.462 1.759 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1359471982 DASKAZKGUPMYGP-SPLOXXLWSA-N 422.493 1.256 30 10 HDEE C#CCN(C(=O)c1cccc(-c2nnc(CCOC)o2)c1)[C@H]1CCS(=O)(=O)C1 1359870518 AWHXBMWNGHZHAV-INIZCTEOSA-N 403.460 1.188 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCCN2CCOC2=O)CCOC1 1360318950 ALXGPCDCEUBWQC-OXJNMPFZSA-N 420.514 1.899 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)NC[C@]34COCCN3C(=O)COC4)cc2)cc1 1438554362 YALPACVRVAZGLE-HSZRJFAPSA-N 421.453 1.903 30 10 HDEE C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1449321756 GGGCBESZHMJPQV-PKOBYXMFSA-N 405.539 1.959 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(OC(F)(F)F)cc1 1458439420 LHRKMOHZRXNCOV-NEPJUHHUSA-N 410.312 1.280 30 10 HDEE N#C[C@@]1(c2ccccn2)CCCN(CC(=O)N2CCC(C(=O)N3CCCC3)CC2)C1 1460608262 SSTOVDJYKPEVAG-QHCPKHFHSA-N 409.534 1.800 30 10 HDEE CCOC(=O)C1(CC(=O)N2CCN(c3snc(C)c3C#N)CC2)CCOCC1 1460651941 VHPQWXHBPRAUJT-UHFFFAOYSA-N 406.508 1.722 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@@H](C)N2CCO[C@@H](c3ccc(C#N)cc3)C2)CC1 1460865372 ZESFQZUNJVWJDC-VQIMIIECSA-N 400.479 1.621 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1462300663 KYJXFSVCXVEGQP-UHFFFAOYSA-N 413.499 1.894 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)C1 1464492623 AMFAHQYFNCDLAZ-NSHDSACASA-N 402.270 1.733 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1sccc1CC#N 1469110473 ZNPXSYRVHSYLNJ-UHFFFAOYSA-N 408.461 1.773 30 10 HDEE COC(=O)CC1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCC1 1472224546 FNJJTJXAVHZWBN-UHFFFAOYSA-N 407.492 1.732 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(c4ccc(C#N)nn4)C3)[C@@H]2C1 1472860974 LUXRHXVYIRZQTO-KFWWJZLASA-N 400.439 1.367 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCN1CCN(Cc2ccccc2)CC1 1477471188 DEJOKZGSTNOQSO-UHFFFAOYSA-N 414.550 1.791 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCO[C@H](C#N)C2)CC2(CCOCC2)C1 1479296626 GWCDZBLVASKDAE-HZPDHXFCSA-N 408.499 1.727 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@]2(CCN(C(=O)NCC3(C#N)CCOCC3)C2)C1 1479558589 AXJGEHLDFVFPOA-HXUWFJFHSA-N 408.499 1.728 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCO[C@H](C#N)C1 1496226138 GTFDPORXNNHHPQ-MAUKXSAKSA-N 412.494 1.987 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(Cc2cccnc2)n1Cc1ccc(C#N)o1 1502212550 ZIDVWCXBNPJSCB-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N(C)C)CC[C@H]1C 1504521029 TZVGNOMBKPFCLG-QAPCUYQASA-N 412.494 1.678 30 10 HDEE COCCCN(C)CCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1504821217 SCHAORHAUSUYGJ-LJQANCHMSA-N 401.559 1.690 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507536959 HPDQIFDPKKLBJR-RDJZCZTQSA-N 402.524 1.003 30 10 HDEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1507603646 XOPREMVUJKVKDU-GOSISDBHSA-N 416.547 1.829 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1snnc1C 1507660883 GKJNABJKLVTBII-LJQANCHMSA-N 400.508 1.601 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)NC(C)(C)C 1507666725 FTQQIOBEIZRVFF-UHFFFAOYSA-N 424.505 1.774 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCN(CC)CC1 1507690378 RTLXDTIWPPJIJT-GOSISDBHSA-N 407.584 1.762 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)Oc1ccc(F)cc1 1507712906 SRONURRSXIRXIY-MAUKXSAKSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN2CCCO[C@@H](C)C2)CC1 1507721657 KTUDPDDKMGRDTA-IBGZPJMESA-N 402.587 1.832 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@H](C)C1 1507778160 BWRWTSNVBLTOHN-VXGBXAGGSA-N 422.349 1.412 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC[C@@H]1NC(=O)NC1=O 1507976020 XDAQUWJKIHDUHS-AWEZNQCLSA-N 412.450 1.327 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC([C@@H]2CC2(F)F)CC1 1508081391 YTZMRXKZXAQVBB-AWEZNQCLSA-N 403.437 1.909 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cscn1 1508136461 HCVJHVAXEKXERE-UHFFFAOYSA-N 406.537 1.977 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1508816122 NHFXOOGKQQOFHH-QZTJIDSGSA-N 421.505 1.304 30 10 HDEE CCCN(CCC)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H](C#N)C1 1514760655 GTZXAZCOHCCXEK-SFHVURJKSA-N 400.531 1.919 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H]1c1nncn1C 1519398018 HUVAGAHSBAERBY-SFHVURJKSA-N 422.493 1.950 30 10 HDEE COCCOCCn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@@H](C#N)C1 1519402598 YKLIKFOLODAICL-INIZCTEOSA-N 423.420 1.938 30 10 HDEE CSCC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C(=O)N(C)C 1524212492 OLSHRBXAXBOVQF-KGLIPLIRSA-N 400.545 1.900 30 10 HDEE CS(=O)(=O)c1cccnc1C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1530700203 GIHDHEUYNFRUCC-UHFFFAOYSA-N 404.879 1.973 30 10 HDEE CN(C)CCN1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1=O 1530772200 SZJBURPITLNOPF-INIZCTEOSA-N 409.531 1.196 30 10 HDEE COc1ccc(C(=O)Nc2cccc(CC#N)n2)cc1S(=O)(=O)N1CCOCC1 1533420332 IQSJXKLESLCCBQ-UHFFFAOYSA-N 416.459 1.429 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)cc1 1537192225 JUDHBKRLZAQYGJ-GXTWGEPZSA-N 405.398 1.576 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(OCc4ccncc4)cc3)C[C@H]1CS(=O)(=O)C2 1538766606 ZEXBDIFWKGODQE-GHTZIAJQSA-N 411.483 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1ccnn1 1539004694 MMQXRXPFRFUBLB-AWEZNQCLSA-N 403.450 1.734 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1539215433 BVUCQNODIIZVMP-CQSZACIVSA-N 416.532 1.713 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1539230829 LHLVUNYYIRYURT-YESZJQIVSA-N 406.508 1.101 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCS(=O)(=O)C1 1539253615 WRCLWOOUROHUPW-QGZVFWFLSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCCS(=O)(=O)C1 1539285612 MZUKALUKWRSRKY-KRWDZBQOSA-N 402.545 1.828 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccs1 1539295656 DOQOSBLGCSMMDF-OAHLLOKOSA-N 405.549 1.655 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1C[C@H]1C 1539408768 CCHKECKFANQFKU-HZPDHXFCSA-N 406.490 1.934 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)c1ccccc1 1539415826 HKGLWUHCZXZJOG-QGZVFWFLSA-N 418.519 1.342 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)OCC)c(F)c2)nn1 1539738283 CSXDHDRXWXVCNB-LBPRGKRZSA-N 403.414 1.927 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc(S(C)(=O)=O)cc1 1540069926 ZMMDRGCJQKJNEW-INIZCTEOSA-N 419.507 1.334 30 10 HDEE COc1ccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1[N+](=O)[O-] 1542174268 DJBCZYPZDKMFKA-UHFFFAOYSA-N 407.379 1.970 30 10 HDEE CS(=O)(=O)C1(C(=O)OCc2cc(Br)cc(C#N)c2)CCOCC1 1542548548 FIWJVZQAFZCWPH-UHFFFAOYSA-N 402.266 1.958 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](C(=O)OC)C[C@@H]1C(=O)OC 1546069338 KCKHJJHJPMMWEH-SOUVJXGZSA-N 410.467 1.246 30 10 HDEE N#CC1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1555991301 YYCWPVWNTFKZAE-HTXNQAPBSA-N 406.450 1.540 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H](CO)c1cc(F)ccc1F 1558801576 WTYHYEKIJXXAHP-INIZCTEOSA-N 423.441 1.633 30 10 HDEE C#C[C@H](NC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)[C@H]1CCCO1 1564603010 JVTPSLMFRNIMOJ-ZNDBOWKPSA-N 400.460 1.598 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1565814669 DBGNHRWZSHUAQZ-NQIIRXRSSA-N 401.507 1.884 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)CC1 1568994945 HXCDXBBKMFMYIG-UHFFFAOYSA-N 406.439 1.058 30 10 HDEE COC(=O)[C@@H](CC(C)(C)C)NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1570674154 RVQXDVKOKHTMJV-CQSZACIVSA-N 409.508 1.599 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 1583087466 IRXUYDSTQUQXSZ-IIBYNOLFSA-N 415.494 1.362 30 10 HDEE C#CC[C@@]1(C(=O)Nc2nc3nc(C)cc(=O)n3[nH]2)CCCN1C(=O)OC(C)(C)C 1584141821 JVQUXYNPVWCKGU-IBGZPJMESA-N 400.439 1.458 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@](O)(c2ccccc2)C1 1584656193 DZBSCHXTFHJSIS-HRAATJIYSA-N 413.499 1.735 30 10 HDEE CN(C)CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1cccnc1 1584905832 KSUOYPWOUDWWHH-LJQANCHMSA-N 415.519 1.696 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 1585628434 WHZPGYGVYCEDGR-OAHLLOKOSA-N 413.377 1.104 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 1587519961 CWLBAVUPGMVDNK-UHFFFAOYSA-N 421.432 1.712 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1587869934 UILFHMMNBGPJAO-KRWDZBQOSA-N 412.519 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@]2(O)CCO[C@@H]2C)CC1 1588908349 PUAPIZVPSHQHAY-UZUQRXQVSA-N 423.517 1.451 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1593625122 LAYVFIPDVGCFPI-RBUKOAKNSA-N 410.522 1.661 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1 1595551538 ROCGREUYTOHTLB-GOSISDBHSA-N 418.586 1.718 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@](C)(OC)C1 1595784836 LBLLJNGCHQKXMJ-SFHVURJKSA-N 408.528 1.285 30 10 HDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1595850397 MLQZNZONMFBIAO-QGZVFWFLSA-N 409.519 1.950 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc(F)c(S(=O)(=O)Cc3ncon3)c2)CC1 1596593076 GMBDURJTLLCXQB-UHFFFAOYSA-N 409.439 1.726 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC1(c2ccc(C#N)cc2)CCOCC1 1596671185 FEWVJUNUYKOFDS-UHFFFAOYSA-N 414.506 1.490 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOCC2)cs1 1612390724 LOFRVZAGIWMKEU-HNNXBMFYSA-N 403.556 1.952 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CCCC(=O)NC1CC1 1612598183 AWWRCXOKWZESES-UHFFFAOYSA-N 411.485 1.983 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCN(c1[nH]c(=O)n(C)c(=O)c1C#N)CC2 1613063062 JJAISEOXBGTRAP-HNNXBMFYSA-N 417.510 1.807 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1=O 1613380205 HBBSHBMZMWCDEX-STQMWFEESA-N 401.385 1.482 30 10 HDEE Cc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)ccc1NC(=O)CC(C)C 1616335799 JCHBMMZEZPWSJK-OXJNMPFZSA-N 403.504 1.990 30 10 HDEE C#CCC(C)(C)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1616823949 MQYMQXBWJVIXCM-UHFFFAOYSA-N 407.536 1.313 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@H](S(=O)(=O)NC)C3)n[nH]2)c1C 1617226134 QGJNVDQQUNFTLF-AWEZNQCLSA-N 406.512 1.230 30 10 HDEE CO[C@H](CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1618955504 HGIMDUALZPIQHG-QWHCGFSZSA-N 416.404 1.210 30 10 HDEE COC[C@@H](Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619599125 CZBBGOFYXWQRSU-MRXNPFEDSA-N 423.477 1.480 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN4CCOC[C@@]4(CO)C3)c2C#N)C1 1620619126 VTNOFXFKAKGYEZ-VFNWGFHPSA-N 418.563 1.452 30 10 HDEE C[C@@H]1CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CCN1c1cnccn1 1620685691 NWOYOCJQCWUDFD-MRXNPFEDSA-N 402.462 1.683 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](C)C(=O)NCCc2ccccc2)c1 1622214439 LPGQRXCGRWLAEH-MRXNPFEDSA-N 415.515 1.628 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cccnc1-n1cc(Br)cn1)C(=O)OC 1626204345 CILCHLUVAOWRDU-CYBMUJFWSA-N 409.240 1.504 30 10 HDEE C[C@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C1(N2CCOCC2)CCCC1 1629078647 ACVSTOQQGVKDCL-HNNXBMFYSA-N 423.510 1.886 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(CCn2cncn2)CC1 1629896089 LWAZQEUNKHPFQY-UHFFFAOYSA-N 403.284 1.299 30 10 HDEE CC(C)C(=O)NC[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1631981368 ZWNOPYRQVGAKSB-AWEZNQCLSA-N 409.483 1.747 30 10 HDEE C=C(C)C[C@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1633301187 KNXKCVWZUNGCIM-HIFRSBDPSA-N 407.492 1.518 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(S(C)(=O)=O)cc2N)[C@@H](C#N)C1 1635214133 XMENTAWPQANOIK-LBPRGKRZSA-N 408.480 1.257 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCN(c2nc(N)ns2)CC1 1635332129 ZWHVLFFTLRROKR-UHFFFAOYSA-N 407.297 1.646 30 10 HDEE N#C[C@H](CO)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1635477249 RCZMGZRSBLBYPX-MRXNPFEDSA-N 407.879 1.532 30 10 HDEE CNC(=O)[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)Cc1ccc(OC)c(F)c1 1636438321 YCUYPMHCDISDPH-RDJZCZTQSA-N 417.485 1.121 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)cc1S(=O)(=O)NCC#N 1637811969 BHRRLCCOJWVOLO-HZPDHXFCSA-N 417.491 1.181 30 10 HDEE COC(=O)c1ccc(NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1O 1638564423 AGGNMDIWPJFOIL-NSHDSACASA-N 417.443 1.635 30 10 HDEE C=CCC[C@H](NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1)C(=O)OCC 1640862979 CNYOOPRQEIGBKR-INIZCTEOSA-N 410.492 1.176 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCC[C@H](n3ccnn3)CC2)CC1 1647893759 GBWMAEMFNLOAIG-ZWKOTPCHSA-N 413.551 1.776 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)Cc1ccc(S(=O)(=O)CCO)cc1)C2 1648293534 IMMXZOOQFYVZKH-UHFFFAOYSA-N 405.501 1.095 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](Nc1nc3ncccc3cc1C#N)CCS2(=O)=O 1652307415 FTIWYRRNENKDCO-HVEKOLDVSA-N 400.460 1.812 30 10 HDEE CC(=O)NCc1ccc(S(=O)(=O)N2CCN(c3ccsc3C#N)CC2)cc1 1663098454 HBAIHNYJOKOJRK-UHFFFAOYSA-N 404.517 1.767 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)C1 1666053717 XGYSZJMOILUSJW-ZDUSSCGKSA-N 414.325 1.783 30 10 HDEE C=CCc1cc(CNC(=O)N2CCO[C@@H](CS(C)(=O)=O)C2)cc(OC)c1OC 1667711331 PZPFQAKMGBFNMW-MRXNPFEDSA-N 412.508 1.387 30 10 HDEE CN1CCC(N2CC[C@@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)CC1 1669159511 CBSIBTDANSEFBI-JOCHJYFZSA-N 424.593 1.990 30 10 HDEE C#CCN1CCC[C@H](NC(=O)Nc2cc3n(n2)CCN(C(=O)OC(C)(C)C)C3)C1 1673268514 WFYBRMVSRTWLKW-HNNXBMFYSA-N 402.499 1.853 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC[C@H](n4cc(CO)nn4)C3)CC2)c1 1674054954 CEJONRKKIBCVLA-NRFANRHFSA-N 423.521 1.653 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2c(F)cc(Br)cc2F)c(=O)nc1O 1674934359 DPFCGORNZKHODA-UHFFFAOYSA-N 414.166 1.683 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1 1678779686 RUBBUHXTLMZEFL-QFIPXVFZSA-N 419.441 1.825 30 10 HDEE Cn1cc(CNC(=O)NCc2ccnc(-n3cncn3)c2)c(-c2ccc(C#N)cc2)n1 1681498844 DSAGXUWLSRDZAM-UHFFFAOYSA-N 413.445 1.934 30 10 HDEE CC1(C)C[C@H](NC(=O)NCCn2cnc(C#N)n2)CCN(C(=O)OC(C)(C)C)C1 1682197402 UKAIEGGOZSVXJI-CQSZACIVSA-N 405.503 1.875 30 10 HDEE CC(=O)NCc1ccc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 1682226071 BODKGKMWZYIYQA-NRFANRHFSA-N 419.485 1.795 30 10 HDEE C#CCN(C(=O)NCC1(NC(=O)OC(C)(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1683738873 YTZMWVHQMGOUKD-OAHLLOKOSA-N 413.540 1.656 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCCC2)CCOCC1 1689824214 KFHSQCGSXYZSOO-KRWDZBQOSA-N 402.543 1.519 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1689835226 ISAQOJIZIRCNRX-OAHLLOKOSA-N 413.478 1.279 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H]2CCOC2)c1 1689870335 KTGLWGJNCXYDOG-AEFFLSMTSA-N 422.489 1.322 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1689944497 STAOBINSVKXIIT-CQSZACIVSA-N 421.427 1.879 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(CC)CCC)[C@H]1CCS(=O)(=O)C1 1689990780 RPAKXHUOPQFIDL-SFHVURJKSA-N 407.584 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccsc2)n1Cc1cccc(OCC(N)=O)c1 1690024215 WUIQUXFDNBMGIG-UHFFFAOYSA-N 419.510 1.916 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1690058551 ZEZSBFUFFKFLBN-UHFFFAOYSA-N 409.494 1.691 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1690095700 AAWXZPSDMFEXIL-SFHVURJKSA-N 406.490 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2OCCC2(C)C)CC1 1690146139 GWYGEZHPIWSCBM-QZTJIDSGSA-N 415.538 1.563 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCc2nn(C)c(=O)cc2C1 1690186128 LQKYQVFUESZYOU-MRXNPFEDSA-N 400.508 1.152 30 10 HDEE C=CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1690627618 MZCHRTKIVDQIBN-HXUWFJFHSA-N 414.897 1.906 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)C1CCC1 1692664011 RLECKPHVABOPOK-HNNXBMFYSA-N 401.515 1.445 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1692674680 XTEWKCPVXLEGJV-XJKSGUPXSA-N 409.494 1.432 30 10 HDEE COc1cccc(C(=O)NCCn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)c1 1697498110 ABWZLAFOZRFFKQ-RDJZCZTQSA-N 412.494 1.959 30 10 HDEE COC[C@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1697776357 RBZJOBZKVJWQHV-IAGOWNOFSA-N 421.498 1.815 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(=O)OC)C2)n1Cc1ccc(C#N)o1 1698144812 SAOIBXSKAUEZAW-LSDHHAIUSA-N 417.466 1.904 30 10 HDEE CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](C#N)C1 1698430506 LCJHLOKXNPVBNL-HNNXBMFYSA-N 421.548 1.830 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCCN(S(C)(=O)=O)CC1 1705530396 WXCZQEOZFGTCSB-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1705566037 LNDCWPRNDFNDBA-INIZCTEOSA-N 403.508 1.630 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1705566854 RDGCXLSANNZYKF-RDJZCZTQSA-N 421.567 1.477 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1Cc1cccnc1N1CCOCC1 1705628947 SWRWPZSWPDIGGN-UHFFFAOYSA-N 412.538 1.843 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@@H]1C 1705680461 BGZZSLBUEJMOLK-STQMWFEESA-N 416.320 1.578 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@H](CNC(C)=O)C1 1705734292 JXRMNOOFFNPCFO-QGZVFWFLSA-N 402.499 1.218 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705816288 AKUYZIHAMLJOIN-OAHLLOKOSA-N 405.528 1.467 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(O)CCN(C)C1 1705861252 ZQWNEVVHRHDEOH-HSZRJFAPSA-N 424.549 1.773 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@H](CCOC)C1 1705932787 ZQGNNNQIIFPRET-MRXNPFEDSA-N 405.524 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C 1705935546 VKTXWRJXAFUVMR-OAHLLOKOSA-N 411.572 1.525 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC(F)F 1711302259 GTWZHVYUAMCESL-GFCCVEGCSA-N 419.436 1.016 30 10 HDEE CNS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC=C(C)CC1 1711425155 ILNCPOISJHPXJT-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(CC(N)=O)CC1 1712168347 BSRASQBUACFORV-KRWDZBQOSA-N 400.458 1.893 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1S(C)(=O)=O 1722300739 QZHNVAAMUPVNEZ-NVXWUHKLSA-N 402.524 1.146 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCOC1 1722425961 SNTXGHFVRXZOIH-QFIPXVFZSA-N 409.490 1.588 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2Cc2snnc2C)CC1 1722434705 YCTKATPWOBTZFP-UHFFFAOYSA-N 409.519 1.917 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)COC)CC1 1722446509 YQBRCFZCIRQIJK-UHFFFAOYSA-N 411.510 1.374 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1722456292 WFSGFGXNPXTHBP-KGLIPLIRSA-N 410.569 1.303 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722498922 AYELEXWFMDUUQG-MRXNPFEDSA-N 424.571 1.198 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1722528521 HVWXFUSUJQAPCY-RTBURBONSA-N 418.586 1.806 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@]2(CCOC2)C1 1722537417 AJNBJJKFTAYXKR-WFXMLNOXSA-N 422.526 1.591 30 10 HDEE C=C1CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722563880 ZSFKUNVFGBAPCW-HTXNQAPBSA-N 406.450 1.418 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 1722618634 TYUUYLPJNHVNGI-LSDHHAIUSA-N 415.585 1.519 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C[C@@H]1CCOC1)C1CC1 1722728540 RGMIQFLQPAZHCL-JKSUJKDBSA-N 410.540 1.388 30 10 HDEE CC(=O)NCCCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722855663 ZJUFNSYBVFWLRN-CQSZACIVSA-N 409.498 1.058 30 10 HDEE CC(C)N(C)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@H](C)C#N 1722864528 AYYPARMBTAFMOL-MRXNPFEDSA-N 408.514 1.857 30 10 HDEE CCn1cnnc1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1728541708 NVXFPTDFLKXXLS-GOSISDBHSA-N 411.401 1.955 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(C)C)CCO1 1729680733 HAKFWRNPFJGLET-SFHVURJKSA-N 412.494 1.583 30 10 HDEE COCCn1cc(Cn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)cn1 1730771528 AJEOPBNQZDGOMS-SJORKVTESA-N 401.471 1.140 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@]1(O)CCS(=O)(=O)C1 1740548950 AYEYXSXKVFAKIR-UZLBHIALSA-N 402.520 1.185 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCSCCCO)[C@H]1CCS(=O)(=O)C1 1740616241 WOQPNLRUOVWDQZ-HNNXBMFYSA-N 414.597 1.318 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CC(F)(F)CO1 1740647672 XOPXHEUDADNLDA-QFBILLFUSA-N 408.449 1.817 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(F)cccc1F 1740661373 ADXGVMJHHNEYJZ-CYBMUJFWSA-N 411.478 1.869 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)N(C)C)c1 1740674037 QRYHBVNNJXFHGE-UHFFFAOYSA-N 408.506 1.610 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(=O)NC)CC1 1740786763 NWOAJJNUOMMRGK-UHFFFAOYSA-N 418.542 1.459 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](N3CCN(C(C)C)CC3)C2)nnc1C(C)(C)C 1740965689 RLFWOPCDCUPNDF-SFHVURJKSA-N 417.602 1.483 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@]2(O)CCO[C@@H]2C)C1 1740983481 JRROCVHJJYWIHJ-OPYAIIAOSA-N 416.526 1.461 30 10 HDEE C=CCSCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1741004755 LKIXPWOPOLGJTM-JTDSTZFVSA-N 410.540 1.799 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1741801639 BZFNRESJRZFMRX-VCBZYWHSSA-N 409.556 1.860 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1742282797 BMHGAZGLMWCLKB-RBUKOAKNSA-N 413.478 1.700 30 10 HDEE C#CCCCn1c(N2CC[C@@]3(CNC(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1748764382 MOJIYVNWDGXQMK-NHCUHLMSSA-N 401.511 1.449 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1748905521 HBELOXMFMOFELC-MRXNPFEDSA-N 404.540 1.484 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1748925264 FUVWVCBKDUNSHM-KBXCAEBGSA-N 408.549 1.609 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CCN1CCOC[C@@H]1C 1748956816 KHMZTLIKGJCXOL-SFHVURJKSA-N 413.522 1.760 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CC1CC(F)C1 1749023316 RAVFABXXGFYBCG-IYXRBSQSSA-N 403.549 1.439 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749120262 COEGIFLGRDEMPU-NJYVYQBISA-N 424.549 1.916 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1749342334 YPYOQEWVPVMCLT-APWZRJJASA-N 410.540 1.472 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2[C@@H]2C[C@H]2CF)CC1 1749342586 IZOXBXFYZHNGHL-ARFHVFGLSA-N 413.519 1.544 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 1749354695 XDIDXIOGXYWSJX-KGLIPLIRSA-N 412.560 1.158 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1749479123 RUKKDVDYHJEOOZ-INIZCTEOSA-N 400.508 1.720 30 10 HDEE C=CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1749518927 BBLOWDZYMCESTA-KRWDZBQOSA-N 424.505 1.200 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCC(C)C)CC1 1749670009 NKMNCGNLWJQDJD-KRWDZBQOSA-N 418.542 1.563 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCN(C(C)=O)CC1 1749753215 HQLAKBWRZQPLJX-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1CCN(C2CC2)CC1 1749830264 HXUOKTJVQGSTAB-SFHVURJKSA-N 415.542 1.470 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCc2nccn2C1 1750076133 KVINCCMAJVTRQI-BZUAXINKSA-N 417.539 1.235 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1=CCCOC1 1751218323 FYJLHDDTPOHMAG-KBXCAEBGSA-N 408.528 1.365 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cnn(CCOC)c1 1760099580 ITZFBXYHNANKAH-LAUBAEHRSA-N 416.526 1.668 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760186363 BXJDKSLSRSMUJK-WMZOPIPTSA-N 418.494 1.596 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1760187913 LWHLBNUCZSCAPU-BZSNNMDCSA-N 422.551 1.573 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1760232511 AAKGMSGQZIKIMY-ZWKOTPCHSA-N 407.584 1.760 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCNc2ccccn2)CC1 1760262214 JPKOFEVQRBXYSQ-UHFFFAOYSA-N 416.533 1.916 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(N(C)C)CCOCC2)CC1 1760263209 RSMZIFRKKGHTNI-UHFFFAOYSA-N 414.598 1.877 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1760295666 UQJXCUBGYVLNCX-KBXCAEBGSA-N 420.564 1.575 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(C(N)=O)CCOCC2)CC1 1760401202 CHIUMBRVTUTBMA-QGZVFWFLSA-N 403.527 1.857 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1760516436 NHQXNFDXMZBXPE-BBWFWOEESA-N 407.515 1.310 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCCN(CC(F)(F)F)CC1 1760520450 NPXXSHYWBOYEBB-UHFFFAOYSA-N 423.443 1.717 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCNC(=O)C2CC2)CCOC1 1761273373 BAFZFJJJWBLPRY-MGPUTAFESA-N 404.515 1.583 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)CC#N 1770085840 FEDGOFHDBNEEBG-NVXWUHKLSA-N 400.483 1.989 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1nc(C)cc1C 1771222458 IJUSNJHGCQROKT-QZTJIDSGSA-N 417.514 1.635 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)ON1C(=O)c2ccccc2C1=O 1772787663 POUMZQWKDLNPLE-AWEZNQCLSA-N 417.418 1.257 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1772791666 CGEXGJBREMPWRU-UHFFFAOYSA-N 404.419 1.079 30 10 HDEE N#C[C@H]1CN(C(=O)c2nnn(-c3ccc4c(c3)OCO4)c2-c2ccncc2)CCO1 1848458376 CNBZJUUCRRLZJT-HNNXBMFYSA-N 404.386 1.423 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(Cl)c2)CC1 1851074099 IOPLWTRPKLUSII-SFHVURJKSA-N 409.939 1.661 30 10 HDEE N#Cc1ccc(OC[C@H](CN2CCOCC2)OC(=O)[C@H]2CCn3cnnc3C2)cc1 1851516539 XKCJXOTWQIMNCD-HKUYNNGSSA-N 411.462 1.035 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc3ncccc23)C1=O 1853804148 CFELRSSQDASIIN-MOPGFXCFSA-N 407.474 1.480 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cnn(C(C)C)c2)C1=O)[C@@H]1CCN(C)C1=O 1854190823 SBQDUMPJKRPDRM-ZWKOTPCHSA-N 401.511 1.704 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CC3(CCC3)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854640983 OJULGQVGPKEKHQ-AWEZNQCLSA-N 401.488 1.887 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCCN(C(=O)[C@@H]3COCCO3)C2=O)CC1 1854824797 NJTUDMSVNUJIIV-OALUTQOASA-N 412.490 1.456 30 10 HDEE Cc1noc(C)c1CN1CCN([C@@H]2CCN(C(=O)c3ccnc(C#N)c3)C2=O)CC1 1855096860 SLFVTFCDJXQZOI-LJQANCHMSA-N 408.462 1.117 30 10 HDEE C=C1CCCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855596288 HVKAJLIVTOUSIT-MSOLQXFVSA-N 423.579 1.608 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)CCN1CCC#N 1855872168 BIPILRHSGSMTEP-CQSZACIVSA-N 406.870 1.879 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H](C)[C@@H]1CCOC1 1856091290 ZTJURJKPXRGDSA-HUUCEWRRSA-N 406.504 1.972 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nccc(=O)n32)C(=O)C12CCCCC2 1856283246 ZBEQZBBCVYRIFJ-HNNXBMFYSA-N 402.520 1.840 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2=O)C1 1857136850 LUCJYDYIUNFCJB-INIZCTEOSA-N 404.417 1.969 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1857225222 ZRPQEQGPQRKHEV-IRXDYDNUSA-N 416.547 1.943 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCc2ccc(OC)cc2)C1)[C@H]1CCN(C)C1=O 1857282246 UPLLENBHYNBKRJ-ICSRJNTNSA-N 413.518 1.722 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nccc3ncccc23)C1)[C@H]1CCN(C)C1=O 1857298387 APVGKXCDOUJDRX-QAPCUYQASA-N 407.474 1.337 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1857309746 KYEDJAFRGAJVKS-IAGOWNOFSA-N 404.511 1.997 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccccc2)c(=O)cc1CN1CCC(C(N)=O)CC1 1870757856 FVOCGLIWTOELAJ-UHFFFAOYSA-N 424.501 1.749 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2cccc([N+](=O)[O-])c2)[nH]1 1871518357 WXFNQWIEFCEWNN-UHFFFAOYSA-N 413.438 1.308 30 10 HDEE C=C(Br)CS(=O)(=O)NCCn1cc(I)cn1 1938733864 LRFASRPJONISFO-UHFFFAOYSA-N 420.070 1.316 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N[C@H]1CCOC[C@@H]1NC(=O)OCc1ccccc1 2118165573 CLNRVFXWQQGHKA-RDJZCZTQSA-N 416.459 1.315 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)cc1 2118165750 FHXHIAMSHOCBPI-RBUKOAKNSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 2118168408 LHQGYDJUCWYIHJ-ZIAGYGMSSA-N 401.872 1.782 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2174783118 YJBGXYHPIXEFPF-FXUDXRNXSA-N 401.529 1.868 30 10 HDEE Cn1nc(Br)c(C(=O)NCc2ccc(B3OC(C)(C)C(C)(C)O3)cc2)n1 2235276664 PMSHRELYTHCNIK-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE Cc1nn(C)c(C(=O)N[C@H]2C[C@@H]2NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247826464 UTAIYOHJDVCADJ-STQMWFEESA-N 420.319 1.423 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247859911 YTNKZPWIGORAAO-ZDUSSCGKSA-N 420.319 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC[S@@](C)=O 2267702773 LQGTYMDCJOCGTD-XMMPIXPASA-N 407.388 1.355 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)[C@@H]1C 2282334127 XPUAJYWHMDNBRL-FRRDWIJNSA-N 400.375 1.807 30 10 HDEE C[C@H]1C[C@@H](CO)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282338531 OCHBADDKUFUGDW-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@H]2CCO)OC1(C)C 2282410476 XBBBFGHLZQKZOX-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CC(F)(CN)C2)OC1(C)C 2282497960 XCUZIZDGRXFJHK-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE CO[C@@H]1CC(=O)N(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282505525 FPCRFWIJHVPJNF-GFCCVEGCSA-N 401.315 1.124 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@H](CN)C1 2282832643 QMXHLZQEBMKEKK-STQMWFEESA-N 400.375 1.761 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCCNC1 2282850584 QSZFWYPJEISMGA-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@@H]([C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282857182 DQKFLZFOMNRXKB-MNOVXSKESA-N 423.387 1.147 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NS(=O)(=O)N2CC(C#N)C2)C(F)(F)CC1 2284505568 WTIQWHOJPNKMHA-ZDUSSCGKSA-N 408.471 1.701 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3CS(=O)(=O)C3)c(Cl)cc2F)OC1(C)C 2285950319 NTRRBWSIZFRIOM-UHFFFAOYSA-N 403.668 1.305 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCC#CBr)(C(=O)O)C[C@]12CCCOC2 2324773146 LWTVXCOREGPHOR-DLBZAZTESA-N 417.300 1.945 30 10 HDEE COCCc1nnc(SCC(=O)OC)n1N=Cc1cc(OC)c(OC)cc1OC 2331293343 YWDBQGQKYDNWLO-UHFFFAOYSA-N 424.479 1.640 30 10 HDEE CN1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)[C@@H](C#N)C1 2338907053 UZMSFBVAPINWAQ-INIZCTEOSA-N 418.519 1.312 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CC(NC(=O)OC(C)(C)C)C1 2365197503 VXEXNLNBTZDVJS-HNNXBMFYSA-N 401.573 1.390 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CCO1 2365205907 WJPYCJSSQIVMSZ-CLCXKQKWSA-N 402.557 1.863 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(C)COC[C@@H]1NC(=O)OC(C)(C)C 2365214273 YXKMQPUTKHDJCY-VCBZYWHSSA-N 402.557 1.721 30 10 HDEE COCC[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCN(C(=O)OC(C)(C)C)C1 2367784203 NZYDMNXBDITJMC-MAUKXSAKSA-N 400.541 1.558 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCCCN1C(=O)OC(C)(C)C 2367809953 RZTOCLMOFQTVMH-PMPSAXMXSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)N(C[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367856213 OWGIPZGVAAPRCS-HNNXBMFYSA-N 401.525 1.923 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367856526 RVCQXBAJSNCVEG-GDBMZVCRSA-N 401.525 1.684 30 10 HDEE COc1ccc([C@@H]2C3=C(Nc4c2c(=O)n(C)c(=O)n4C)c2ccccc2C3=O)cc1O 3209563 GLRUJQCTVXYUAW-MRXNPFEDSA-N 417.421 1.963 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)/N=C(\O)[C@H]1CCCN1C(=O)Cc1cccs1 66003006 GIMNNABYRAGNAE-CQSZACIVSA-N 410.521 1.977 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)C1 238895159 QYXSZEGKFJUNRU-HNNXBMFYSA-N 400.460 1.582 30 10 HDEE C#CCCN1C(=O)[C@H]2[C@H](C1=O)[C@](CCSC)(C(=O)O)N[C@H]2c1ccccc1C 248107740 RCXPRSNXFVMIIU-GRXQJBFDSA-N 400.500 1.840 30 10 HDEE Cc1nccc(N2CCN(S(=O)(=O)c3ccc(C#N)c(Br)c3)CC2)n1 433881722 HJYKVKFSRZXMON-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE Cc1cc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n(C2CCOCC2)n1 434555281 SYVUAIBAUJVDHG-CQSZACIVSA-N 417.491 1.720 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1nn(C)cc1C#N 446104487 KTQOXQRQUHQLQS-JTQLQIEISA-N 411.281 2.103 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)[C@H]1C 460385258 GHBNZOGGTNIQPA-CABCVRRESA-N 413.544 1.191 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 466102793 MDIJDKYEDXSNDC-QGZVFWFLSA-N 413.522 1.712 30 10 HDEE Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)[C@@H](C)n4cnc(C#N)n4)CC3)n2)cc1 467076750 WLORTKQNWNKRPU-HZPDHXFCSA-N 420.477 1.975 30 10 HDEE CC1(C)CN(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@]2(CCOC2)O1 474680147 HGKJMVAQDZUJNZ-XMSQKQJNSA-N 412.490 1.639 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 508808253 GMEIIIRCLWIZTB-QGZVFWFLSA-N 421.509 1.992 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)CC2)c1 509550265 UFYCOBXVXWEJLC-UHFFFAOYSA-N 421.476 1.979 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 511103992 FISUXMOLRDSZMW-UHFFFAOYSA-N 414.443 1.922 30 10 HDEE CCOc1ccnc(N2CCCN(CCS(=O)(=O)c3cccc(C#N)c3)CC2)n1 513788071 KJCVIKXMCLQFCN-UHFFFAOYSA-N 415.519 1.733 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCC(=O)N(C)C1 523399106 BTNUURKPQLKDRO-GFCCVEGCSA-N 410.268 1.835 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cnc3nccnc3c2)CC1 545356803 LAEDGWJOPHEKLC-UHFFFAOYSA-N 408.443 1.043 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCOC2)CC1 549983167 OWCNPLJRENYTDA-GOSISDBHSA-N 410.522 1.406 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(O)n[nH]3)CC2)c(C(F)(F)F)c1 555430961 ABEOFXPYVSUQRU-UHFFFAOYSA-N 401.370 1.969 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)Cc2cnn(C)c2C)cc1 556109602 IUBAUEJMGPXMKW-UHFFFAOYSA-N 419.507 1.132 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCN(c2nccc3sccc23)CC1 564489969 YCNNWTLIERARRJ-UHFFFAOYSA-N 409.537 1.525 30 10 HDEE COc1ccc([C@H](CNS(=O)(=O)CC2(C#N)CCC2)N2CCOCC2)cc1OC 566729934 XKZNTEGHMNDRNT-KRWDZBQOSA-N 423.535 1.690 30 10 HDEE COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(C#N)cc3F)cc2)[nH]1 609232034 UKIUPLOMLZBVPC-UHFFFAOYSA-N 408.389 1.822 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1c1cccnc1 609841230 IUAQWRRKHXBCFG-HRAATJIYSA-N 407.449 1.961 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1C 679532534 WVJAHTXZSRNETJ-UHFFFAOYSA-N 409.508 1.427 30 10 HDEE Cn1ncc(C#N)c1NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 703976136 KVVARSRIEYNTFL-UHFFFAOYSA-N 401.448 1.356 30 10 HDEE Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1=O 728041098 BUMSKRKGOCPWDZ-JOCHJYFZSA-N 404.474 1.808 30 10 HDEE CCCCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cnn3ccccc23)c1=O 729670180 KRQBNOWBTVFFQY-UHFFFAOYSA-N 409.515 1.385 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2=O)cc1 732155142 XSLRMJNQBBFUMS-HGENEIFLSA-N 414.487 1.404 30 10 HDEE CSC[C@H](C(=O)N1CCN(C2CC2)[C@H](C#N)C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 732649046 OAQCUVODNOQSQS-QBPKDAKJSA-N 404.536 1.092 30 10 HDEE CCOC(=O)COc1cccc(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)c1 747499089 WABRLIJZMCVUEJ-UHFFFAOYSA-N 411.414 1.764 30 10 HDEE N#Cc1ccc(CN(C[C@@H](O)CN2CCOCC2)c2ccc3nc(O)[nH]c3c2)cc1 749364244 RFMWJPVWSNSHRI-IBGZPJMESA-N 407.474 1.840 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O 768430265 YHZISJQWDIUWRS-GOOCMWNKSA-N 414.524 1.166 30 10 HDEE C#CCN(C(=O)NCCOc1ccc(C(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774173287 WARHVOLCFAHDJN-AWEZNQCLSA-N 404.410 1.916 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OC)c(OC)c1OC)[C@H]1CCS(=O)(=O)C1 774192120 JNKIDNCVQNUDFM-HNNXBMFYSA-N 410.492 1.087 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1cc(OC)n(C)n1 775086701 ZINBLNBCWMYIBU-ZDUSSCGKSA-N 405.480 1.665 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccccc2O)CC1 780207556 WSNCEFQFODUXTP-YWZLYKJASA-N 409.442 1.578 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@@H](O)CC(F)(F)C1 787829324 XHJMFTAEHWGNLG-JSGCOSHPSA-N 415.462 1.512 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)OCC(=O)OCC(F)(F)F)C2=O)cc1 788941478 YVRHGUKFKIBCOL-LBPRGKRZSA-N 413.308 1.412 30 10 HDEE C#CCn1ccc(CN(CCOC)CCC(=O)N2CCN(c3ccccn3)CC2)n1 789321029 PESQVLLJDHYAJG-UHFFFAOYSA-N 410.522 1.099 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(c3cnn(C)c3)C(=O)C2)CCCN1C(=O)OC(C)(C)C 790741282 GAOVZLXFSMRDGI-NRFANRHFSA-N 417.510 1.941 30 10 HDEE CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)OCC#Cc2ccccc2)c1 791302856 UBNMLENRSDWRCL-UHFFFAOYSA-N 400.456 1.262 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CN2C(=O)C(F)(F)Oc3ccccc32)n1 794459086 SWPLETOGSCKQJY-UHFFFAOYSA-N 418.400 1.510 30 10 HDEE CC1(C)NC(=O)N(CC(=O)Oc2ccc(C#N)cc2I)C1=O 798582493 DKEGWQLKOBYOEL-UHFFFAOYSA-N 413.171 1.399 30 10 HDEE C[C@H](OC(=O)[C@H](C)n1cnc(C#N)n1)C(=O)Nc1c(F)c(F)c(F)c(F)c1F 798748053 RJPVSCKLTQCLGK-WDSKDSINSA-N 403.267 1.977 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2F)cc1 799740920 CBPVUDCCCJADAK-MRXNPFEDSA-N 411.842 1.479 30 10 HDEE C[C@H](C(=O)Nc1ccc([N+](=O)[O-])c(I)c1)n1cnc(C#N)n1 801700495 ZFAWLVBHWGYSIR-SSDOTTSWSA-N 412.147 1.862 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCc1ccccc1 802304351 GNWBVBUKJYQBDF-IBGZPJMESA-N 407.522 1.836 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 804457381 ULFXZKZNAQNDSD-QAPCUYQASA-N 413.499 1.203 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)C[C@@H](C)C(=O)NC 809896881 SZYRSONDTCJQGS-CABCVRRESA-N 422.530 1.591 30 10 HDEE CC(=O)N1CCN(C(=O)[C@@H](OC(=O)[C@H](C)Oc2ccccc2C#N)C(C)C)CC1 914678714 KRYZKPVLEINPRM-KXBFYZLASA-N 401.463 1.584 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@]1(C#N)CCCOC1 1124284751 PVVFATSZSNTRFG-LJQANCHMSA-N 423.491 1.365 30 10 HDEE C=CCc1ccc(OCC(=O)NCC2(N3CCOCC3)CCOCC2)c(OC)c1 1129669728 MASSQFQUKIYSQP-UHFFFAOYSA-N 404.507 1.800 30 10 HDEE CC(C)C[C@H](NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1)C(=O)N1CCOCC1 1130119863 AWHIAGLLMWLHDZ-HKUYNNGSSA-N 416.497 1.913 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 1132698911 GULKPOCNYFTYJX-KSSFIOAISA-N 404.467 1.839 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC[C@@H]2C(=O)Nc3ccccc32)c1 1135891626 FXNOHTGSKGIETF-AWEZNQCLSA-N 401.419 1.979 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N[C@H]3CCN(O)C3=O)ccc2NC1=O 1141380637 XBGIDNQQFWSFPX-CABCVRRESA-N 418.450 1.185 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)CNc1ccc(S(N)(=O)=O)cc1F 1141657375 NLRUGOMMXUKLQR-UHFFFAOYSA-N 420.466 1.432 30 10 HDEE C=C[C@](C)(CCOC)C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1148328809 WLRBKFUEICZFAJ-HXUWFJFHSA-N 409.552 1.338 30 10 HDEE Cn1cc([C@@H]2C[S@](=O)CCN2C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)cn1 1154157544 CZGVZUYSRBFIOZ-ZSIWHHEXSA-N 423.539 1.639 30 10 HDEE C#CCN(CC(=O)N1Cc2cc(C(=O)OCC)nn2C[C@@H]1C)C(=O)OC(C)(C)C 1155805888 DTGHUDVPWCCEAV-AWEZNQCLSA-N 404.467 1.661 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)n1ncc(C#N)c1N 1168597649 FJRNSTFMMHFKBO-WWRUEGTHSA-N 405.505 1.689 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(Br)cc1 1169292173 NPWYPHMLBLUWLA-CYBMUJFWSA-N 403.298 1.272 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCC(=O)c2sc3ccccc3c2Cl)C1=O 1175724776 UKRAXRUXCBQDJO-UHFFFAOYSA-N 419.846 1.830 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1180609410 ALDNHBRFSQPEID-UHFFFAOYSA-N 416.503 1.396 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 1183511352 LXYANHZUGKXITH-UHFFFAOYSA-N 422.551 1.297 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(Br)c(C(=O)OC)c2)cn1 1192327703 JDUIEZIOTCWGTK-UHFFFAOYSA-N 412.265 1.544 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 1196571125 GFERPEAPALJSCU-UHFFFAOYSA-N 410.540 1.938 30 10 HDEE CC(C)O[C@]1(CS(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)CCOC1 1208375500 HOCPJBXSCUAIPL-HXUWFJFHSA-N 409.552 1.836 30 10 HDEE C=CCc1cc(CNC(=O)N2CCC(O)(COCCO)CC2)cc(OC)c1OC 1225350502 KUWHCAWFNSLFPK-UHFFFAOYSA-N 408.495 1.478 30 10 HDEE CNC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1226113564 ZWAWFGVKRRFXAM-PMACEKPBSA-N 419.485 1.710 30 10 HDEE C=C(C)CONC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1252548947 LJGIJUIOICRKDG-KFWWJZLASA-N 410.471 1.718 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 1265243801 GPDOJDLALWMYBL-INIZCTEOSA-N 409.508 1.889 30 10 HDEE Cn1nc2c(c1C(=O)Nc1ccn(-c3cccc(F)c3C#N)n1)CS(=O)(=O)CC2 1268916286 FQDMYRIXYZCUIR-UHFFFAOYSA-N 414.422 1.340 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H]1COCCO1 1286419191 YVSMXMAMOYMDII-OAHLLOKOSA-N 418.295 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286817185 KJUBHLGEFZQAQO-DLBZAZTESA-N 411.572 1.159 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](CC)C1 1286818996 VXTIZWJROXWLSF-OAHLLOKOSA-N 410.569 1.611 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1286820310 JCLWJWRMWSCESH-QGZVFWFLSA-N 420.583 1.644 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccc(C[C@H](C)C(=O)OC)cc1)c1cc[nH]n1 1296158800 VNWDTFSJDFYHIF-ZDUSSCGKSA-N 416.434 1.684 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1296227779 AUYRKYZBHYXXNE-QGZVFWFLSA-N 424.505 1.978 30 10 HDEE COC(=O)C1(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCSCC1 1296799968 XFIYZDBVBJHBPQ-UHFFFAOYSA-N 400.453 1.292 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)C[C@H](C)C#N 1297695318 DGBBEQCOQVJTDS-CQSZACIVSA-N 421.523 1.993 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C)(C#N)CC1 1298915326 KAFRGNUDZAXSLV-OAHLLOKOSA-N 406.531 1.904 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1COCCO1 1300303779 JXLLEYKLUGOUKD-LSDHHAIUSA-N 408.462 1.065 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCc1ccco1 1300314921 MEWUEIHRLHJWGN-INIZCTEOSA-N 417.473 1.884 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)[C@H](C)CS(C)(=O)=O 1300400552 YNVTXEUKAPDXBR-CQSZACIVSA-N 404.492 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCC(C)(C)O 1300564049 RUGPTJZDHGANQP-UHFFFAOYSA-N 414.531 1.973 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC(=O)N1CCOCC1 1300604010 ADYJYFKJIKYCNN-UHFFFAOYSA-N 413.478 1.281 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(OC)c(F)c1 1300649944 PQDFTVRKXRNZQH-UHFFFAOYSA-N 403.458 1.698 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2scnc2C)CC1 1300681542 TVEOSVGUZHGWNH-UHFFFAOYSA-N 401.540 1.179 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCSCC=C)CC1 1300685339 LNQYZJYRWOPEHM-OAQYLSRUSA-N 419.595 1.993 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1300766347 AJDVFWBVWUOMML-IBGZPJMESA-N 412.563 1.983 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1301042367 UIFNMVHCQGWVOK-HNNXBMFYSA-N 422.917 1.199 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1301196676 HQWHIAAITCSHQC-HDMKZQKVSA-N 413.544 1.239 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1CCCOC[C@@H]1CCOC1 1303355584 PAXAXGARIJGJPM-KRWDZBQOSA-N 404.515 1.599 30 10 HDEE CC(C)NC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](F)(C#N)C1 1303430307 FBHYTIJMNTUVFO-OAQYLSRUSA-N 424.484 1.873 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OCC)ccc1Br)C(=O)OC 1309574607 ZLNHPSLFFUMSRN-GFCCVEGCSA-N 418.265 1.469 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1313096555 CBPFVPTXALFSQS-QZTJIDSGSA-N 407.536 1.733 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCC(=O)N(C)C 1315652830 AHMSMQJVIYFVBJ-HNNXBMFYSA-N 414.466 1.073 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCN2CC=CCC2)CCO1 1316541464 ZGPCRNOKXCCSDX-KRWDZBQOSA-N 412.469 1.987 30 10 HDEE Cn1nccc1C1=CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1328260206 IIUAFEQIQQPJKL-GOSISDBHSA-N 418.457 1.813 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)COC 1358885320 HUPLPUUMJRLGCP-CABCVRRESA-N 404.540 1.979 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1358911012 IOCVEYTYHRLCFO-IERDGZPVSA-N 401.511 1.807 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCN(C)C1 1359016244 VIIGTKNVOLKXGK-QFIPXVFZSA-N 421.480 1.581 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC[S@@](=O)C(C)(C)C 1359026150 MVRPTJOBEUSNET-MUUNZHRXSA-N 403.552 1.897 30 10 HDEE C=C(Cl)Cn1c(COCC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1359156286 AQEBDRNFQTYRGM-UHFFFAOYSA-N 410.950 1.702 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1359207718 USNWRJYCLQUJNU-MRXNPFEDSA-N 417.558 1.172 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359225731 JHQDHDRWKRDGQG-QGZVFWFLSA-N 417.514 1.986 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1-n1cccn1 1359231545 YZTREKHKCVYBOQ-AWEZNQCLSA-N 416.511 1.140 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1(O)CCN(C(C)C)CC1 1359273526 DIXPURXHDHDHFQ-UHFFFAOYSA-N 416.570 1.814 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1359292449 PJVCHEHMDUGBLK-QRWLVFNGSA-N 401.515 1.579 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1359297840 DLZYZNOPKQPPHL-UHFFFAOYSA-N 411.510 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(Cn2ccnn2)CC1 1359326582 DJNLPAQSIAILQN-MRXNPFEDSA-N 421.571 1.901 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1359474350 QHIIIKZCCOQLCX-AEFFLSMTSA-N 417.535 1.993 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CC(=O)NCC2CC2)CCOC1 1360338620 HGPOCBHSLMUXFG-UXHICEINSA-N 420.489 1.287 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)c1Br 1458291487 OKRVMHXHSCRBPQ-LRDDRELGSA-N 413.293 1.787 30 10 HDEE Cc1c(C(=O)N[C@@](C)(C#N)CN(C)C)nnn1C1CCN(C(=O)OC(C)(C)C)CC1 1459883916 WJPZIWRUTFFBDV-FQEVSTJZSA-N 419.530 1.732 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)[C@]2(C#N)CCCOC2)cc1 1459928270 GEHDBTVMEZFNPZ-VLIAUNLRSA-N 403.435 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2CC(=O)Nc2ccc(C#N)cc2)C1 1460557118 BMXUENFKZFUBTE-UHFFFAOYSA-N 413.478 1.308 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2nc(C(F)(F)F)n3ccccc23)CC1 1464844487 DIUYUSJWZIWFJZ-UHFFFAOYSA-N 407.396 1.250 30 10 HDEE N#Cc1cn(CC(=O)N2CC3(CC3)c3ccc(Br)cc32)c(=O)nc1O 1470239990 VCEHXRSKNXRPCM-UHFFFAOYSA-N 401.220 1.661 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(CC(=O)NCCC)cs2)cc1 1471324122 LGWBAQPULOLEIB-UHFFFAOYSA-N 422.532 1.928 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)C2)nc1 1473512942 HQEQTFAZBWTVJH-MJGOQNOKSA-N 408.458 1.731 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(N3CCCOC3=O)CC2)C1 1478402721 CQJRSSCSDLLWLK-GOEBONIOSA-N 421.498 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)N3CCN(c4ccc(C#N)cn4)CC3)[C@H]2C1 1478731030 HMVNETPQSPFOND-VQFNDLOPSA-N 412.494 1.650 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H]1C(C)C 1503832996 AXRHFZJCWXSQCR-QGZVFWFLSA-N 402.524 1.991 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1507533190 KXMXOUVOJBOPSV-JLCFBVMHSA-N 419.489 1.128 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCN(C)C(C)(C)C1 1507547524 LVZOBQWXRCFFLU-FHWLQOOXSA-N 418.586 1.486 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1c(CC)nn(C)c1OC 1507611692 OEWPTODXSKBYAK-UHFFFAOYSA-N 411.466 1.428 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1507618428 NQOMPCHAAMZUKY-QGZVFWFLSA-N 417.535 1.659 30 10 HDEE C#CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1507626842 QEWIUHGEWBMUSX-KRWDZBQOSA-N 415.475 1.890 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1507676595 PIKUFYLIGNDZIQ-UHFFFAOYSA-N 424.549 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCCC1 1507712856 RBQUFKFHSPODAB-UHFFFAOYSA-N 400.483 1.188 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)CCC)CC1 1507738303 MLEGOKCHDJKSIF-NRFANRHFSA-N 413.526 1.196 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1507747974 NFTLPPKKQNAMEF-OAQYLSRUSA-N 406.515 1.900 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1507751138 KHHBDGBPKXRSSS-MSOLQXFVSA-N 407.584 1.695 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1507913917 BBDHNFGFZGQCEI-ZWKOTPCHSA-N 416.570 1.990 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](C)(C(=O)NC)C1 1507926631 SZSHUEYIOBUVAL-RDTXWAMCSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1508098236 ZBUPBCFPFTYFJD-FUHWJXTLSA-N 418.542 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1508144818 HVFIPPKNUVUDAT-BRWVUGGUSA-N 410.540 1.531 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)CN(C)C1=O 1509951234 GDCSVXBZSGFMRA-ASSNKEHSSA-N 420.477 1.811 30 10 HDEE Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N(CCC#N)CC2CC2)s1 1511752705 FQQUGKFNRINYEY-UHFFFAOYSA-N 414.539 1.933 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCc2sccc2C1 1516606773 BSPNYRCSDRJUFL-MRXNPFEDSA-N 402.524 1.663 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1519073705 UNDFVLPYCUDPSF-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE CS(=O)(=O)CCCCCn1c(CN2CCCC2=O)nnc1N1CCC(C#N)CC1 1519525344 PXIJNCUJUQEUTG-UHFFFAOYSA-N 422.555 1.355 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCS(=O)(=O)CC(F)(F)F)cc2C1=O 1531656208 RYMPRJHHBFVCPF-UHFFFAOYSA-N 404.366 1.176 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3ccnc(-n4cccn4)c3)C2=O)cc1 1537785857 DIWZATDSSJVLKJ-QGZVFWFLSA-N 415.413 1.983 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NCc2nc(C#N)cs2)C1=O 1538522230 KWSZJWPFMXAKEG-LJQANCHMSA-N 413.459 1.415 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(OCC)cc2)n1C[C@]1(O)CCN(C)C1 1539148031 MNHCCAFUAGILIB-VGSWGCGISA-N 413.522 1.953 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCc2cccc(C(N)=O)c2)CC1 1539466798 HIIYRRNDZSSHLK-UHFFFAOYSA-N 422.533 1.709 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCOC[C@@H]1CCCO1 1539557105 ZALVVKXJTCFLTJ-XGHQBKJUSA-N 401.511 1.807 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCOCC 1539600769 VGMGYLJPMJSZKS-GFCCVEGCSA-N 407.334 1.562 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1540005471 LQOLBDJRSCYCEX-JYJNAYRXSA-N 409.556 1.812 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCC(=O)NC 1540121851 OBANTFWZKPBWHY-UHFFFAOYSA-N 404.478 1.879 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3c(Br)cccc32)C1=O 1540174819 OIYGEKYUWYJKNC-UHFFFAOYSA-N 406.236 1.705 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@](C)(OC)C1 1540861763 FPVVKMGKSNRUAW-FQEVSTJZSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)O[C@H](C)C1 1540865210 YEAFACYGFZZJMH-HUUCEWRRSA-N 415.494 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](COC(C)C)C1 1540897417 IOEGFSNKRKOXSV-INIZCTEOSA-N 400.545 1.633 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CCC[C@H]1CN(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1557664590 HWUYSOOSADKHTO-CROOGXSVSA-N 418.494 1.809 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CC(=O)OC)c2cccnc2)c1 1558879770 PGCYFMDLZSXYBO-HXUWFJFHSA-N 415.471 1.201 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)cn1 1561734378 YGLJRLVSOIOVJP-UHFFFAOYSA-N 414.491 1.399 30 10 HDEE N#C[C@H]1CCCN(C(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 1563509812 ARVMFZPKXVVFIG-MRXNPFEDSA-N 406.508 1.294 30 10 HDEE Cn1cc(CNC(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)c(-c2ccc(C#N)cc2)n1 1564544966 YLMUMPWAEDTCSR-GOSISDBHSA-N 422.489 1.131 30 10 HDEE C=CCN(C(=O)CNS(=O)(=O)c1cccc(Br)c1)[C@H](C)COC 1584372251 LNLSGPOJUGITBV-GFCCVEGCSA-N 405.314 1.777 30 10 HDEE C#CC[C@H](COC)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 1586385679 HKXVVYNTXNYHON-XMSQKQJNSA-N 419.481 1.654 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1587999220 SPRSSMMVYFXLQM-GOSISDBHSA-N 417.521 1.834 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@H](C)C1 1588024877 PGQVLRNCJYHYNW-RDGPPVDQSA-N 405.543 1.571 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCn2nc(C)nc2C1 1588984954 MYCYBBHDXDVAJT-AWEZNQCLSA-N 405.528 1.289 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)CN1CCCC1 1589149916 AXXAVPWONIAOEZ-ABSDTBQOSA-N 422.599 1.612 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1594783961 MUCACDFSIHMVNP-IRXDYDNUSA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)Cc1nc(O)c2sccc2n1 1595593342 AXZWOPNMXFCQMU-UHFFFAOYSA-N 417.495 1.464 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(OCC(N)=O)c1 1596822772 NEDRYDDFTVCWPA-NVXWUHKLSA-N 412.494 1.680 30 10 HDEE CC(C)=CC(=O)NCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1598567898 PCXCYUUJKUDTBH-FXAWDEMLSA-N 401.488 1.279 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1613005694 YCNOSXDXDYTOFN-HMWBCQRISA-N 409.450 1.092 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2Cc2cccnc2OC)CCOC1 1616139894 CIYGMEIRLBJSHX-FOIQADDNSA-N 400.483 1.978 30 10 HDEE C#CCNS(=O)(=O)N1CCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2C)CC1 1622498270 CQEFRLDJEODUHH-UHFFFAOYSA-N 413.565 1.066 30 10 HDEE C#CCN(CC(=O)N(C)[C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC(C)(C)C 1624475548 IYDLMYNTLRPTTM-AWEZNQCLSA-N 409.508 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC3(N4CCOCC4)CC3)C2)C1 1626677726 XMRYGGLIHSUKIR-BQIYRTECSA-N 418.538 1.754 30 10 HDEE C#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1)C(=O)OC 1629617540 RVJYHXCCNWAZKN-IBGZPJMESA-N 418.515 1.257 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 1631900204 QNIWEGMIVXESQW-IAGOWNOFSA-N 406.527 1.234 30 10 HDEE CCOC(=O)CON=C(C(=O)N(CC)CCNC(=O)OC(C)(C)C)c1cc[nH]n1 1632992085 RSXLOBXZCCSNPD-UHFFFAOYSA-N 411.459 1.067 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@H]3Cc4cc(F)ccc4NC3=O)C2=O)cc1 1634587811 AFPUIGXDIHDCND-MJGOQNOKSA-N 406.417 1.725 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2o1)C(=O)NCC(=O)NCC#N 1634922311 UITRJCZLYGTRSF-HNNXBMFYSA-N 400.435 1.625 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCCc3ncn(C)n3)c(C#N)c2N)cc1 1636446590 WGFAIPMQLNUPCC-UHFFFAOYSA-N 421.509 1.628 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1637865319 UFRWAVKNZZRMQF-UHFFFAOYSA-N 423.491 1.412 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2=O)cc1 1639942566 IFEJWMHPXKHWRD-NVXWUHKLSA-N 419.445 1.266 30 10 HDEE CSCC[C@H](C(=O)NCc1ccnc(C#N)c1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1640009901 VTVJLMOIVWQIKJ-BRWVUGGUSA-N 400.504 1.866 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 1641158952 BDHKKJRNHMJBGD-WBVHZDCISA-N 412.559 1.337 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(c2cccc(S(N)(=O)=O)c2[N+](=O)[O-])C1 1642870481 QTYMHJWPHSFSGH-HNNXBMFYSA-N 401.448 1.829 30 10 HDEE C#CCN1CCN(C(=O)CN(C)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)CC1 1643960978 RODNMKBRKFPYCK-CQSZACIVSA-N 406.449 1.151 30 10 HDEE COC(=O)CCN(CC#N)C[C@H](O)c1ccc2c(c1)CN(C(=O)C(F)(F)F)CC2 1644206173 RDGGDXPIZNMBLM-INIZCTEOSA-N 413.396 1.556 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(c2ncc(Br)cc2C#N)CC1 1651860040 AYWKPAASMUZFTF-HSZRJFAPSA-N 400.298 1.996 30 10 HDEE C#CCn1cc(CNC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)cn1 1654543824 WDONKHDUUMPTLF-GFCCVEGCSA-N 414.409 1.518 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 1671100702 IZEZKNDSCVHVKI-XCBNKYQSSA-N 417.281 1.928 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)[C@H]1CCCN(C(=O)C2CCCC2)C1)C(=O)OC 1671556900 FBGILLSDUAYIJI-IRXDYDNUSA-N 400.541 1.985 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)N1CCC(c2ccc(C#N)cc2)CC1 1676156459 XOWVHNZLKDVELO-UHFFFAOYSA-N 412.537 1.505 30 10 HDEE CC(=O)N1CC[C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc21 1680414941 LQAHZBGWMMTWLV-GMBSWORKSA-N 402.476 1.064 30 10 HDEE CCOc1cc(Cl)ccc1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1680629009 IWSYVROQKZKXLY-UHFFFAOYSA-N 403.826 1.639 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC(N2C[C@H](C(=O)OC(C)(C)C)CC2=O)CC1 1681197380 XYGKTAITMALIAO-OIISXLGYSA-N 407.511 1.694 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NC[C@H]3COCCN3C)c(C#N)c2N)cc1 1684581888 HUKWGNWUPHQLFV-KRWDZBQOSA-N 411.510 1.197 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@@H]1C 1689930037 JRTIQYWTOXVZFG-ULQDDVLXSA-N 409.556 1.649 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](OC)C(C)C 1690013068 AHLBSUDWPTZJCA-IBGZPJMESA-N 418.501 1.936 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(SC)c1 1690102309 HZHFFTQQEKKFFU-OAHLLOKOSA-N 400.508 1.480 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1Cc1ncccc1N(C)C 1690104946 NLRQYJACZBVQHO-UHFFFAOYSA-N 405.506 1.859 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1690120112 GZTRDEMMDFQVNK-IBGZPJMESA-N 410.570 1.554 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC)[C@@H](C)C1 1690246555 VMACZYGEYHLZMK-ZMMAXQRCSA-N 402.543 1.741 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC)C1 1690433003 QTNDTOBUYASYMD-CABCVRRESA-N 410.540 1.782 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1690659569 WRJUWDKISKCVMP-SQNIBIBYSA-N 404.559 1.641 30 10 HDEE CC(C)CN1CCO[C@@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1692433412 CBGIARFGEUIJEY-XLIONFOSSA-N 416.505 1.477 30 10 HDEE COc1ccc(COCCn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1697464380 AELLFLPNUQYYBN-MJGOQNOKSA-N 413.478 1.736 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCc1n[nH]c(C)n1 1697587775 FHEIAVUSYYZJIM-INIZCTEOSA-N 408.466 1.276 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC[C@H]1C 1697685568 OLIJCKNWWAPGQI-IELSJNNDSA-N 414.510 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1705474114 CMPWISNKKJTEMK-POXGOYDTSA-N 400.508 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1CCN1CCN(C(C)=O)CC1 1705628900 SBMCAKRXHASSAW-UHFFFAOYSA-N 404.559 1.117 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@H]2COCCO2)CC1 1705648152 OWDFZGQOIYGCMH-SFHVURJKSA-N 401.511 1.317 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCC(CNC(=O)c2cnn(C)c2)CC1 1705661079 QUKXHGXPUCKHBD-UHFFFAOYSA-N 415.567 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1Cc1cccc(C(=O)NC)c1 1705676601 HYIHRTHECBJCGW-HSZRJFAPSA-N 420.517 1.801 30 10 HDEE C=C(C)Cn1c(N2CCc3nn(C)c(=O)cc3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705728614 PUNDFRQQFFQJLQ-OAQYLSRUSA-N 414.510 1.551 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2nccnc2C)CC1 1705763648 ZWYYLBASLCRBSR-HNNXBMFYSA-N 405.528 1.386 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(C)=O)CC1)C1CC1 1705854083 ILMVTLALIBWMKH-KRWDZBQOSA-N 421.567 1.594 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1 1705898915 BXLIXEZWASHDSN-IBGZPJMESA-N 422.533 1.990 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCn2cc(C)cn2)C1 1705915580 FFIMYPOAMZCLJU-NQIIRXRSSA-N 416.526 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2n[nH]c(C)n2)C1 1705928475 FLLHJKVQHBVWFJ-QGZVFWFLSA-N 411.514 1.590 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cccnn2)CC1 1705945581 NRDRZMPBZCMGJQ-MRXNPFEDSA-N 401.540 1.818 30 10 HDEE Cc1nc(Cc2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)cs1 1707759075 ZZDJSOADCQOBTD-ZCXUNETKSA-N 413.507 1.760 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CC(=O)NCc2ccco2)n1 1707812615 MSOJAQFNFLKWCA-OAHLLOKOSA-N 410.482 1.788 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCOCCS(C)(=O)=O 1707919688 JGYUONYOXFHRLZ-SFHVURJKSA-N 419.507 1.097 30 10 HDEE CCN(c1nnc(-c2cccc(C#N)c2)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1709943036 MRFZJUGJVMMEHX-SJORKVTESA-N 421.498 1.815 30 10 HDEE CCN(CC)C(=O)CCCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1709995950 GHTICIRWMKPYMW-SFHVURJKSA-N 411.510 1.641 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1 1711397788 BXUKFLCTNPRMFZ-KRWDZBQOSA-N 405.466 1.386 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@@H](C(N)=O)C3)n2C[C@@H]2CC=CCO2)cc1 1712881265 YZCOCBLGFMDCTQ-MJGOQNOKSA-N 422.489 1.776 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCn2cnnn2)CCO1 1712884586 OOKBNFAMRUKCKI-MRXNPFEDSA-N 413.873 1.328 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccc(F)c(F)c1 1722294061 FYGUZRSDVBFHLV-KBPBESRZSA-N 424.473 1.995 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CCC1 1722350031 JWGHMPSPIISJNK-SSEXGKCCSA-N 424.530 1.563 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H]1C[C@H](F)C1)[C@@H]1CCS(=O)(=O)C1 1722359694 ADLIKPICNDRZCC-BZUAXINKSA-N 418.498 1.500 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H](C)CN2CCCCC2)CC1 1722447986 SMMFOCUJSYETRA-GOSISDBHSA-N 400.571 1.928 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1722609023 QCGCTTSECDLFTA-CABCVRRESA-N 411.466 1.826 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N[C@H](C)CC)C1 1722713357 GMCRYUGTQLTWFO-OAGGEKHMSA-N 404.515 1.315 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1722727476 OSTPLTFRVBLDPR-AEFFLSMTSA-N 423.583 1.303 30 10 HDEE CC(C)c1nnc(N(C)[C@H](C)CC#N)n1CCS(=O)(=O)N1CCSCC1 1723134935 HALUCKVXGXPUMS-CQSZACIVSA-N 400.574 1.518 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccncc1Cl 1723912112 IPTQSSCLPMCYEH-NEPJUHHUSA-N 411.919 1.723 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CCCCS1(=O)=O 1727568446 GOIAMPLKFOCFEX-HNNXBMFYSA-N 416.507 1.343 30 10 HDEE CCOCCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)CC1 1729166002 UJPISGBVOHSLJO-UHFFFAOYSA-N 415.498 1.088 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)NC(C)C 1740558839 VOGMQUBQOYEVBQ-AWEZNQCLSA-N 402.524 1.642 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1740638495 JUXXOILJSUOXTA-JKSUJKDBSA-N 414.510 1.463 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1740671985 TWEBAICZPJPBLS-CYBMUJFWSA-N 422.580 1.837 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1740694736 SCRFVNBGXWSILI-KRWDZBQOSA-N 408.497 1.267 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCOC1 1740722500 BWDFTOISVAZIEO-PGRDOPGGSA-N 415.538 1.949 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1740729782 MBCHSTQMWNDAAO-JBYIUTFZSA-N 414.554 1.578 30 10 HDEE C=C(C)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCNS(C)(=O)=O 1740779829 DWMUDUQPOMVIOV-UHFFFAOYSA-N 407.496 1.278 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C)N1CCOCC1 1741833326 FCTLAEAELZPHTB-IRXDYDNUSA-N 423.521 1.204 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1743263137 RZYQSIKLARVMHD-STGLLQLASA-N 409.450 1.092 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC 1748104625 AYHLPAIBZWBJEK-VFNWGFHPSA-N 414.510 1.423 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1748680313 PXRXQYFCWALWGM-LJQANCHMSA-N 423.565 1.237 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748750670 MLAKSSQAWSEJFT-LJQANCHMSA-N 416.570 1.924 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1748790826 NABPBCOFGWAGFR-UHFFFAOYSA-N 410.526 1.294 30 10 HDEE C#CCN(c1nnc(CC)n1CCCc1cccc(C)n1)[C@@H]1CCS(=O)(=O)C1 1748817156 FZBTXZIISCKWAT-GOSISDBHSA-N 401.536 1.803 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(OC)C1CC1 1748960239 FDGNPARNCZPFDZ-OAQYLSRUSA-N 415.494 1.907 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)OC)CC1 1748977619 JKPVNIODKNUQQL-OAQYLSRUSA-N 405.543 1.499 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOc2ccc(F)c(F)c2)CC1 1749003171 ALURHENVEZOEKE-UHFFFAOYSA-N 403.433 1.910 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1S(C)(=O)=O 1749155501 GRRVBAQNUWFQHG-HUUCEWRRSA-N 410.544 1.056 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1749667079 SIGRQCQTWCYUJL-AWEZNQCLSA-N 420.477 1.233 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC(=O)N(C)C)C1 1749703365 HEJONPYRBDISAK-INIZCTEOSA-N 415.494 1.832 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1760140942 FCSFIRJVIVTBRP-DYESRHJHSA-N 401.511 1.588 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)OC)CC2)nnc1[C@@]1(OCC)CCOC1 1760143121 WXOKTQLKAPLGPG-HXUWFJFHSA-N 405.499 1.622 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@@H]1CCOC1 1760206308 WEAPGQSSHJQBQR-LJQANCHMSA-N 419.533 1.952 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1760279471 AIMYVSYHHFPTKQ-OWCLPIDISA-N 405.524 1.821 30 10 HDEE C=C(Cl)Cn1c(-c2ccc[nH]2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760372409 IMDIENPQODSORY-GOSISDBHSA-N 403.874 1.840 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)CN2CCOCC2)CC1 1760405467 ZMRFRPQBHZQETO-SFHVURJKSA-N 416.570 1.771 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](COC)C1 1760412063 HPAJRBDYYVDRLR-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@H](CN(CC)CC(F)(F)F)C1 1760525280 ZYZDVVINYRILQH-CQSZACIVSA-N 402.465 1.853 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1761291916 QGMAODRNTBFKRQ-FQEVSTJZSA-N 414.466 1.158 30 10 HDEE CCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1763141666 GGRNLRNVLDMECM-ROUUACIJSA-N 410.478 1.735 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1cccc(CO)c1 1764908936 BTEFDZARDXVEMH-UHFFFAOYSA-N 403.490 1.974 30 10 HDEE CCO[C@@]1(c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCOC)CCOC1 1765887559 ZOPLGBVDIZHQBC-FQEVSTJZSA-N 414.466 1.112 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](COC)OC 1767571308 GCFLUTBDMYZWLA-WMLDXEAASA-N 400.483 1.296 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@@H]1O 1770621218 ZVSKORHFPZSAIS-PBHICJAKSA-N 403.508 1.459 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC(COc2cc(C#N)ccn2)CC1 1849128350 GNENHJJRAYEOLL-KRWDZBQOSA-N 406.508 1.385 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)CN1CCc2ccccc2[C@@H]1c1cccs1 1850010823 RRFAIIVNWOESHF-HXUWFJFHSA-N 402.541 1.860 30 10 HDEE Cc1nn(CC(=O)N2CCc3[nH]nc(C#N)c3C2)c(=O)n1-c1ccc(C(C)(C)C)cc1 1851247820 RGBYQVAIXQKEAD-UHFFFAOYSA-N 419.489 1.820 30 10 HDEE N#CCCn1nc2c(c1NC(=O)[C@@H]1CC(=O)CN1C(=O)c1ccc(F)cc1)CCC2 1852111710 BCVXRNRPCGFMDA-SFHVURJKSA-N 409.421 1.847 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4ccccc4F)n3[nH]2)CC1=O 1852330232 CQPKUGBFOHOTPA-KBPBESRZSA-N 424.436 1.798 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCC[C@@H](N3CCC(C#N)CC3)C2=O)C1 1853680283 CVIQTWBNSCKFNA-SJORKVTESA-N 420.510 1.375 30 10 HDEE COc1cccc(C(=O)N2CCC[C@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c1 1854291588 OCBMUOHFNZQINO-IBGZPJMESA-N 406.442 1.856 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1[C@@H]1CCN(CC(F)(F)F)C1=O 1854699806 XBTRVFIAYRELBP-XJKSGUPXSA-N 422.407 1.323 30 10 HDEE CC(C)Oc1cccc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)n1 1854966233 CCHWUXPDYYWNDU-MSOLQXFVSA-N 413.522 1.920 30 10 HDEE C=CCN(CC=C)C[C@H]1CCC(=O)N(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1855312133 MXQXKAJFHDCQQM-MSOLQXFVSA-N 423.579 1.630 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855394736 YXAJNYWUHNXBHV-QZTJIDSGSA-N 416.522 1.998 30 10 HDEE CN1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C3(CCCCC3)C2=O)CC1=O 1855619356 KRMPRNVPLDNAOW-HNNXBMFYSA-N 414.531 1.972 30 10 HDEE CC1(C)C(=O)N(C(=O)Cc2c(F)cccc2Cl)CCN1S(=O)(=O)CC#N 1856045595 FWKUGWUYZXASIS-UHFFFAOYSA-N 401.847 1.324 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](S(=O)(=O)c4ccccc4)C3)C2=O)cc1 1856457555 ZOEUPKYICGDKQG-UXHICEINSA-N 423.494 1.848 30 10 HDEE CN1CC2(CCN([C@H]3CCN(C(=O)CCc4ccc(C#N)cc4)C3=O)CC2)CC1=O 1856484213 OZIQQWABTJMXIE-IBGZPJMESA-N 408.502 1.563 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN([C@@H]4CCCCC4=O)C3)CC2=O)cc1C#N 1856581199 QISCJNCSTJHISE-VQTJNVASSA-N 408.502 1.737 30 10 HDEE N#Cc1cc(C(=O)N2CCN(CC(=O)N3CCCC3)C3(CCCCC3)C2=O)ccn1 1856933279 NQDJUHOOWAFVIM-UHFFFAOYSA-N 409.490 1.563 30 10 HDEE CC(C)c1oncc1C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857149757 MGLVBRCJDYLJGK-MRXNPFEDSA-N 409.450 1.021 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2)CC1 1857207988 PMAPSBWGQLYWOK-QZTJIDSGSA-N 409.490 1.578 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(CCCC)cc2)C1 1861596547 BSUVVCXHWZKTLR-IHPCNDPISA-N 413.518 1.646 30 10 HDEE COc1cc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)ccc1O 1862738040 QVRGCQDSMQOHIG-KRWDZBQOSA-N 414.370 1.880 30 10 HDEE Cc1nnc([C@H](CC(=O)N[C@@H](CO)C(=O)Nc2ccc(C#N)cc2)c2ccccc2)o1 1867031054 FIAPHOOUMLIRSV-MOPGFXCFSA-N 419.441 1.888 30 10 HDEE CN(C)C1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868781873 BRIFJKRHYKRJSM-GOSISDBHSA-N 417.579 1.694 30 10 HDEE CCN1CCN(c2nc(=Nc3ccccc3C#N)nc(N3CCN(CC)CC3)[nH]2)CC1 1871731479 SWJPHDWNYWSGRK-UHFFFAOYSA-N 421.553 1.193 30 10 HDEE C=CCn1c(C(=O)N2CCN(CCO)CC2)cc2c(N(CC)CCCC)ncnc21 1873560767 LZZMVSULNWEJPT-UHFFFAOYSA-N 414.554 1.994 30 10 HDEE COc1ccc(Cc2nnc(SCC(N)=O)n2/N=C/c2ccccn2)cc1OC 1874237835 ILXRQJIBUIUXRL-SSDVNMTOSA-N 412.475 1.741 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[C@H]1NC(=O)OC(C)(C)C 1900425736 FIWJOZOLGXCYSW-VXGBXAGGSA-N 406.292 1.115 30 10 HDEE C=C(Br)CS(=O)(=O)NCCO[C@H]1CCN(C(=O)OC(C)(C)C)C1 1982301644 DKTLFWMIIBAVQL-LBPRGKRZSA-N 413.334 1.840 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CCC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985177859 DEQGXVQWRFRNTI-RBUKOAKNSA-N 416.522 1.889 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 1993456160 GWEZHBWEMSUUJN-CQSZACIVSA-N 413.334 1.576 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@]12COCCN(C(=O)C#CBr)C2 2006267222 RERYJHQXKGLVSA-MRXNPFEDSA-N 403.273 1.207 30 10 HDEE C#CCN1CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2029230342 IFFGZPPJVYICGN-UHFFFAOYSA-N 403.504 1.034 30 10 HDEE C[C@H]1CCC(=NO)CN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2046025101 GMNFIWSYQDUBMG-SGTLLEGYSA-N 411.455 1.655 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108230345 YCEBSPALKALOEW-LJQANCHMSA-N 424.494 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CC([S@@](C)(=O)=NS(=O)(=O)c2cccnc2C#N)C1 2118171860 XQGXCZARFDNAKN-RUZDIDTESA-N 400.482 1.359 30 10 HDEE CC(C)(C)OC(=O)NOCCNC(=O)c1cncc(B2OC(C)(C)C(C)(C)O2)c1 2243405508 HRFSTXFTHIYPRW-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE CC(C)(C)OC(=O)NOCC(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243677233 SXWAYVYOUVHMBB-UHFFFAOYSA-N 411.239 1.915 30 10 HDEE CN(CCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)C(=O)OC(C)(C)C 2247816784 GCQNJHKFQXGDGP-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC1(C)OB(c2cncc(C(=O)N(CCC(N)=O)Cc3ccccc3)c2)OC1(C)C 2247927508 KNYVSAKFNGPLCN-UHFFFAOYSA-N 409.295 1.899 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250001153 SIMFWFUDUFRKEU-AWEZNQCLSA-N 423.319 1.286 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@H]1CCC[C@H]1C#N)NC(=O)OCc1ccccc1 2258167089 DUXXMDHBKRIBMH-HRCADAONSA-N 409.464 1.066 30 10 HDEE C[S@](=O)CC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2267722417 XFSIAJDOBXTYKC-DEOSSOPVSA-N 405.372 1.046 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCN[C@@H](CCO)C3)c2Cl)OC1(C)C 2281934527 NUVONDGXWSCSLL-NSHDSACASA-N 400.737 1.497 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3C[C@H](O)[C@H](N)C3)c2Cl)OC1(C)C 2281950722 ZXVBZGCJIUQXJQ-JLLWLGSASA-N 400.737 1.529 30 10 HDEE CCS(=O)(=O)[C@H]1CCN(C(=O)c2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282057409 GQCKRFPXQDVNRS-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CCNC[C@H]3C4)cc2Cl)OC1(C)C 2282311116 DGYAUQZYOKFEFF-HWPZZCPQSA-N 418.777 1.731 30 10 HDEE Cc1cc(S(=O)(=O)N=S2(=O)CCOCC2)sc1B1OC(C)(C)C(C)(C)O1 2282327607 KVGZHBJPEAJAOT-UHFFFAOYSA-N 421.371 1.543 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1COCCO1 2282506750 WXXMUPCGHCWCGD-YPMHNXCESA-N 403.331 1.130 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC[C@](C)(O)C1 2282827078 WMOYMRAWQYDINM-SJCJKPOMSA-N 401.359 1.938 30 10 HDEE COC[C@H]1C[C@@H]1CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282829815 KQSVEWBWAWDEFJ-CHWSQXEVSA-N 401.359 1.917 30 10 HDEE COC[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(C)C 2282836292 HZOCBADFWFADMI-LBPRGKRZSA-N 404.363 1.533 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCn3cc(Cl)cn3)c2)OC1(C)C 2282851600 DTJZUYYLPWGTQD-UHFFFAOYSA-N 417.749 1.876 30 10 HDEE C[C@@H]1CC[C@@H](CN)CN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856210 OZCODUMIPKDRMM-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CN 2282858293 UXVXKPVRAWNYSR-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE CC[C@H]1CC[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282880629 LPWWKALDNDYDIG-QWHCGFSZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)O)OC1(C)C 2284400473 WIMITRCTZCIOPB-ONGXEEELSA-N 405.278 1.233 30 10 HDEE CC[C@](C)(CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284413866 BVDXYLXHGSCXLI-MRXNPFEDSA-N 403.331 1.827 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2301728016 OPKUZNNQWQDBPJ-CYBMUJFWSA-N 424.303 1.848 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@@]2(NCCC#CBr)C(=O)O 2324524080 HSXNLIKZYAKDQB-QGZVFWFLSA-N 417.300 1.945 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC(C(=O)N[C@H](CCS)C(=O)O)CC2)C1 2365132153 UTDNLXUTOUXXMR-CQSZACIVSA-N 401.529 1.207 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2365199950 UBBPGAVIEFQWKK-ARFHVFGLSA-N 402.557 1.721 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(CNC(=O)OC(C)(C)C)COC1 2365206258 XWZWCFJGTNSULG-HNNXBMFYSA-N 402.557 1.723 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367809228 LFGNWHBVNFRFBO-KSSFIOAISA-N 402.557 1.599 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 2367817757 NPOUSEOKDJBPAH-JJXSEGSLSA-N 400.541 1.161 30 10 HDEE Cc1csc([C@@H](C#N)C(=O)COC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 7936515 DRBXYWCRSKRQQD-ZDUSSCGKSA-N 418.475 1.768 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 59310892 CFPHLVGNDGFYMF-OMCISZLKSA-N 401.412 1.623 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1 238870606 MURFKFAUBVTCCV-PBHICJAKSA-N 409.421 1.910 30 10 HDEE C=CC[C@H](CO)NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 410069683 GGUGCLZPMWIBFC-UTKZUKDTSA-N 407.470 1.553 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1 430012045 OYYGPIJCHCBUAY-FTRWYGJKSA-N 408.520 1.950 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(N3CCC3=O)cc2)CCN1Cc1ccccc1 440066565 XJHFGXMWBZZISS-FQEVSTJZSA-N 417.469 1.598 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)cc1 461731991 WXFKZWHWAUATJJ-INIZCTEOSA-N 410.386 1.954 30 10 HDEE N#C[C@H](NC(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]12)C1CC1 464398678 WVLVHNFYXROKSN-XDUKTRNDSA-N 401.466 1.884 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)CC1=O 468920450 LLUUEPWJIKYXLL-UHFFFAOYSA-N 405.398 1.446 30 10 HDEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)CC3(C#N)CCC3)CC2)CCC1 474591771 BTGIPEHSFWANES-UHFFFAOYSA-N 414.553 1.041 30 10 HDEE C=C(CNC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccccc1 488894350 GCYCQPAPTWUEDE-GUDVDZBRSA-N 404.532 1.926 30 10 HDEE CC1(C#N)CCN(CC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 506026654 HZOKKNQXCVXWAB-UHFFFAOYSA-N 401.486 1.534 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)C2CCCCC2)CC1 508997349 JQNZJXXSIZUEBA-OAHLLOKOSA-N 424.571 1.303 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCN([C@@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 530382452 HSZGBILOSWNIAT-NVXWUHKLSA-N 417.418 1.402 30 10 HDEE COc1cc(NC(=O)CN2CCN(c3cccc(C#N)n3)CC2)cc(OC)c1OC 544882141 RUBKITIHUVZXFK-UHFFFAOYSA-N 411.462 1.740 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 555242212 GWRSDTUGDDKSFD-CHWSQXEVSA-N 403.405 1.447 30 10 HDEE C=C(C)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 555272290 MIUGQPUDGXZBCP-FUHWJXTLSA-N 404.559 1.930 30 10 HDEE Cc1csc([C@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)n1 578536730 DUGHOADFMVMZNL-ZDUSSCGKSA-N 401.467 1.988 30 10 HDEE C[C@@H]1CC[C@@H](C)N1CCN1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1 586862847 DJUUIEGRVTXEMX-IAGOWNOFSA-N 415.513 1.331 30 10 HDEE COc1ccccc1N1C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)CC1=O 619106094 UYNOXDFMVYNRBI-QGZVFWFLSA-N 405.458 1.664 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)CC1 680760381 FCOOCYGLYJRGOM-UHFFFAOYSA-N 413.522 1.377 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NCc1ccccc1C#CCO 703984896 VDFSNLKZPRHFBM-UHFFFAOYSA-N 412.467 1.136 30 10 HDEE Cc1cc(Br)c(S(=O)(=O)NCC#CC(=O)O)cc1Br 717533112 UBRSULJCRUNNLL-UHFFFAOYSA-N 411.071 1.886 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)CCN1C1CC1 732649404 VEUFDXXKWNHAEP-MRXNPFEDSA-N 421.478 1.876 30 10 HDEE N#C[C@@H]1CN(C(=O)Cn2cnc3ccc(Br)cc3c2=O)CCN1C1CC1 732649475 XCWRQXVDBIHZML-CQSZACIVSA-N 416.279 1.358 30 10 HDEE Cc1c(NC(=O)[C@@H](C)OC(=O)c2ccc(C#N)nc2)c(=O)n(-c2ccccc2)n1C 734600593 FGWPFUJVETTYSY-CQSZACIVSA-N 405.414 1.935 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C(=O)NCCCC2CC2)c1 737230154 XTBIEVVBADRVIC-XLNRJJMWSA-N 406.508 1.744 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC)cc2C(N)=O)c1 737943173 GFCHOKIPNQFFEJ-UHFFFAOYSA-N 401.444 1.348 30 10 HDEE COC(=O)[C@H](OC(=O)c1c(F)ccc(S(N)(=O)=O)c1F)c1ccc(C#N)cc1 740238118 SOOYIBFWMDROLM-OAHLLOKOSA-N 410.354 1.555 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(CN3CCOC3=O)c2)cc1C#N 747495899 UEGNPTJDHPMCNZ-UHFFFAOYSA-N 408.414 1.774 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]([C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 748815421 MVRZIICQEWRJBT-PMACEKPBSA-N 418.582 1.875 30 10 HDEE C=C(C)CN1CCC(NC(=O)CNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 755260800 FQVMCNSDBDQDAV-QGZVFWFLSA-N 408.543 1.659 30 10 HDEE Cn1cc(-c2cc(COC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)on2)cn1 769089055 IAVWHLLYSKMGDD-UHFFFAOYSA-N 400.416 1.605 30 10 HDEE O=C1C[C@H](c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CN1 772247639 WOSPOGBJCJEQEN-AWEZNQCLSA-N 412.471 1.357 30 10 HDEE COc1cc(C(=O)CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc(OC)c1OC 776972377 BFAGCWRHRVXAHX-INIZCTEOSA-N 401.463 1.874 30 10 HDEE C#CCN(C(=O)[C@@H](C)c1c(C)nn(CC(F)(F)F)c1C)[C@@H]1CCS(=O)(=O)C1 777992094 NPCCDQSYYXXWNE-SMDDNHRTSA-N 405.442 1.815 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H](O)c3ccc(C#N)cc3)c2)CC1 780909747 UOXKXDYRCWPIAH-IBGZPJMESA-N 414.487 1.166 30 10 HDEE C=CCn1c(-c2cnccn2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787249947 MPQWLBZWRYOCQG-UHFFFAOYSA-N 403.512 1.195 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnc3onc(CC)c3c2)n1 788695462 OOUHYODQAGGCDW-UHFFFAOYSA-N 403.464 1.452 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCC2(O)CCC2)C1=O 790003045 NDIUEXHYTRNGAS-QGZVFWFLSA-N 418.563 1.991 30 10 HDEE N#Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 790003222 AGUDRXHOSVTWOJ-UHFFFAOYSA-N 406.851 1.880 30 10 HDEE N#Cc1ncccc1OS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 795282319 FIPJWPDFCZTFJC-UHFFFAOYSA-N 407.473 1.896 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)NCCOc2ccc(C#N)cc2)CC1 805153274 IEBNXMSAWVHRHL-UHFFFAOYSA-N 423.491 1.089 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](C(F)F)C1 808317186 NZOIFNJHCDSDGC-GFCCVEGCSA-N 402.423 1.828 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](C(F)F)C1 808317187 NZOIFNJHCDSDGC-LBPRGKRZSA-N 402.423 1.828 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(=O)N(C)C[C@H]1C 809929477 WGTPBNUUMKTKTE-CABCVRRESA-N 420.514 1.439 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCNC2=O)cc1 1125307544 NJJRPJVIMYTACB-PFKVCDDJSA-N 406.508 1.744 30 10 HDEE CCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc(OCC)c1OCC 1134645501 NABOAXHVMGMWSL-MGPUTAFESA-N 422.503 1.893 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)c2nnc3n2CCCCC3)s1 1136134039 BQSMGZURAUCUDO-CYBMUJFWSA-N 423.564 1.950 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)C2(c3ccc(C#N)cc3)CCCC2)CC1 1142021994 SUGCKZKSURMXRX-UHFFFAOYSA-N 404.536 1.757 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)CC1 1144029151 ZHPMLYBGEIJGMW-ROUUACIJSA-N 422.570 1.600 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C[C@@H](C)OC[C@@H]3C)ccc2c1=O 1146890657 LVYKTPXHKPYIQS-UONOGXRCSA-N 402.520 1.710 30 10 HDEE O=C(C1CS(=O)(=O)C1)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1157806896 GAISSVXZRJLDKT-KNVOCYPGSA-N 401.275 1.660 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)C2)n1 1158157871 NXPVPIJWTVPCNL-HZPDHXFCSA-N 402.476 1.871 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1161901668 JGPMKZGBEYTUCY-LJQANCHMSA-N 409.508 1.644 30 10 HDEE Cn1c(N2CCC[C@H](CC(=O)NCc3ccc(F)cc3)C2)c(C#N)c(=O)n(C)c1=O 1163596891 GRYQQBLHINUZNN-OAHLLOKOSA-N 413.453 1.018 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 1163652237 MVJDUPAXRJJOII-GOSISDBHSA-N 413.503 1.311 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NC[C@H](O)c1cnc[nH]1 1177837010 HLEYLEZVLAYJLW-ROUUACIJSA-N 411.462 1.965 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCC(=O)N2CCC[C@H](C)C2)s1 1181441180 FZMIBVMNFAPGGA-AWEZNQCLSA-N 413.565 1.520 30 10 HDEE CCOc1ccc(OCCNC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)cc1 1189921935 HUEVQDRPSLBJMJ-UHFFFAOYSA-N 412.446 1.119 30 10 HDEE Cc1csc(NC(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)c1C#N 1204888547 HBYHAIMUFMCULQ-UHFFFAOYSA-N 408.505 1.863 30 10 HDEE C#CCC1(NC(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CCOCC1 1225564867 SGSRYSRHVIRMEJ-UHFFFAOYSA-N 407.536 1.886 30 10 HDEE COc1ccc(CNC(=O)NCc2ccc(CS(=O)(=O)N(C)C)cc2)cc1C#N 1246203111 OPFILJRUSLFJBU-UHFFFAOYSA-N 416.503 1.958 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CCOC)[C@H](CC)C1 1286356365 OSMFJPQUHXAQTQ-GOSISDBHSA-N 402.543 1.361 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCc2cccc(C(N)=O)c2)CC1 1286490526 MTZVRRMJXWTCHN-UHFFFAOYSA-N 420.517 1.463 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1286686527 AESSFEWHYLESPB-FGTMMUONSA-N 424.567 1.921 30 10 HDEE C=CCN(CC=C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnn2ccccc12 1286753529 DNFJRZMWJVMLOT-HNNXBMFYSA-N 415.523 1.763 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1Cc2ccccc2O[C@H](C)C1 1286787156 POBNSAUWDVZUHG-OAHLLOKOSA-N 405.462 1.825 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCN2CCOC2=O)C1 1286811632 GLEMSEUQCAHVHI-GOSISDBHSA-N 412.494 1.888 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1286836580 NUMZWEUGIZSUGE-UZLBHIALSA-N 423.583 1.953 30 10 HDEE COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)N[C@H]1CCN(O)C1=O)C2 1298424103 DQANYSPUAMMOCG-GXTWGEPZSA-N 421.450 1.476 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)ccc2c1=O 1299942929 SAFAWIVZERAOCR-CYBMUJFWSA-N 400.460 1.584 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCCC2)n1CCc1ccc(S(N)(=O)=O)cc1 1300532108 NHIGYEZBVGULFN-UHFFFAOYSA-N 411.531 1.899 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H](C)COC)CC1 1300700634 TZQWBLBVHWCPKI-FXAWDEMLSA-N 411.506 1.828 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(C)C)CC1 1300716944 VCKSRFONZVQKDR-NRFANRHFSA-N 403.527 1.552 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1301358836 DYZOEEYRLFTARR-ZWKOTPCHSA-N 424.505 1.583 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CCOCCCO)cc1 1302994657 PLEIQSCVYRUUQB-UHFFFAOYSA-N 401.467 1.354 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)C1 1303558985 QJKCIRRHPJYSLG-GOSISDBHSA-N 415.538 1.902 30 10 HDEE C=CC(C)(C)CNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1309997978 CWCMXNISTDEVGZ-AWEZNQCLSA-N 415.537 1.486 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318371349 HQZMZVLQJNXLDD-AZUAARDMSA-N 404.470 1.727 30 10 HDEE CSc1ncc(Br)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1333836482 FTDMYFXKAWZSJK-ACCUITESSA-N 412.269 1.217 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCC(=O)N2C)c1 1350883593 IRTGRWDAHLXQFI-WFOVFMPGSA-N 406.508 1.839 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(C)c(OC)c1 1358871532 GVTMBFZFVAPVQQ-CVEARBPZSA-N 419.551 1.906 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1358910883 DNHWGOGHAHYKGK-IAGOWNOFSA-N 400.527 1.774 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1358962974 ZWTHVZFGQSYBQV-HUUCEWRRSA-N 405.524 1.046 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CCOCC)CC1 1359043170 JYGVMWFXNFUHJN-UHFFFAOYSA-N 411.506 1.956 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O 1359058497 GEOWADMLPAFVON-CVEARBPZSA-N 421.592 1.888 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)c(C)c1 1359239959 BQVYWEKDQNSZNT-QGZVFWFLSA-N 423.514 1.729 30 10 HDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)CCCO1 1360843021 AVHUPPLIWJTQLT-FGZHOGPDSA-N 424.505 2.000 30 10 HDEE COc1ccc(NC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)cc1C#N 1438710819 FQHHWDYPJSOVNJ-UHFFFAOYSA-N 401.444 1.681 30 10 HDEE COc1cc(O)ncc1C(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1 1441631884 QEVDJYCAYVHWLG-LTGZKZEYSA-N 404.448 1.861 30 10 HDEE CN(C)S(=O)(=O)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1456587792 KVGDWTIVJBZMPG-KNVOCYPGSA-N 418.306 1.507 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)CC1 1460376988 SEZZKPOAKIUWCH-UHFFFAOYSA-N 402.495 1.313 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@H](CO)[C@H]2CO)n(Cc2ccco2)c1C 1460561952 YTCNWKBSLCBENS-QFBILLFUSA-N 400.479 1.622 30 10 HDEE C[S@@](=O)CCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 1463297827 CWLQMLZLPMAIBU-RUZDIDTESA-N 409.455 1.262 30 10 HDEE C#CCN(CC(=O)N1CCN([C@@H](C(N)=O)c2ccccc2)CC1)C(=O)OC(C)(C)C 1463886018 NGQDCYFXMHUBDU-LJQANCHMSA-N 414.506 1.228 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)N2CCc3ccccc32)c1 1464666488 IFFBKAXWTDNXIA-UHFFFAOYSA-N 401.419 1.442 30 10 HDEE N#Cc1cn(CCC(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)c(=O)nc1O 1466798658 GTZVGTFTEVDYQM-UHFFFAOYSA-N 417.853 1.335 30 10 HDEE CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1469872882 WGUDRRFTHMSUTC-GOSISDBHSA-N 405.451 1.801 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC[C@H]2C=NNC2=O)C1 1470579971 PQOKUEUDOGQRQD-NSHDSACASA-N 404.268 1.385 30 10 HDEE C=CCOCCCNC(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 1470825384 MXLNPESKYFVNEK-UHFFFAOYSA-N 401.916 1.949 30 10 HDEE C=CCC1(O)CN(C(=O)[C@@H](NS(=O)(=O)c2ccc3c(c2)OCCCO3)C(C)C)C1 1471823116 MTDPKZQAHUNOCO-SFHVURJKSA-N 424.519 1.300 30 10 HDEE Cc1cc(C#N)ccc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2CS(=O)(=O)C[C@H]21 1472203082 VKHGDYOMHWGNPU-SJORKVTESA-N 419.503 1.725 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CC[C@H]3CC[C@H](C4OCCO4)O3)C2=O)cc1 1472554828 GYDTVTGVVFJRJE-CEXWTWQISA-N 413.474 1.476 30 10 HDEE Cc1ccc(CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)cc1C#N 1472617503 IVWATUUBBUMTHW-UHFFFAOYSA-N 406.446 1.487 30 10 HDEE CN(CCC#N)C(=O)CCN1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1473130736 BSEREHULWMBYQA-INIZCTEOSA-N 409.531 1.101 30 10 HDEE CN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)C[C@@H](O)c1cccc(C#N)c1 1473620675 ORJSDDAQPITIFT-OAHLLOKOSA-N 400.401 1.003 30 10 HDEE COC(=O)c1ccc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)cc1 1473825017 ZBJZXXAAKSIUPR-KXBFYZLASA-N 417.512 1.967 30 10 HDEE COc1ccc(N2C[C@@H](NS(=O)(=O)c3c(F)cc(C#N)cc3F)CC2=O)cc1 1475480584 BKIDCHXJFLLUEQ-LBPRGKRZSA-N 407.398 1.929 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1475546382 LNKNYNFSJLKHSS-JTQLQIEISA-N 410.311 1.169 30 10 HDEE C[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494194537 YOSQWYCIFUVVCJ-FRRDWIJNSA-N 408.484 1.015 30 10 HDEE Cn1cc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCOCC(F)F)cn1 1503649634 BEXWNYHXWKJUGZ-MRXNPFEDSA-N 420.468 1.527 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1507592535 SGRCYWZQLQPGTK-SJORKVTESA-N 406.494 1.572 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccnc1OCCC)[C@H]1CCS(=O)(=O)C1 1507626861 QGQBGIZQXOSZNK-KRWDZBQOSA-N 403.508 1.445 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1cc(C(F)(F)F)ccn1 1507651487 BGIQHGGXPCBPOT-MRXNPFEDSA-N 416.407 1.959 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCO[C@@H]2CCOC2)CC1 1507724572 SLVANSJGOJVFIG-HXUWFJFHSA-N 410.522 1.215 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H]2CCN(CC)C2)CC1 1507726699 KNUKAUQPEAADLR-HXUWFJFHSA-N 410.570 1.237 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCOCCOC)CC1 1507740268 ZQKMZOKXHNBSRQ-GOSISDBHSA-N 419.526 1.149 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507935693 UAPNCGMUEJNSGT-IKGGRYGDSA-N 421.567 1.784 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(CCOC(C)C)CC1 1508079459 WNRMTZZVVLFYAC-UHFFFAOYSA-N 412.538 1.794 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1508097012 GAKGJGWYAPHNDI-FOIQADDNSA-N 405.499 1.206 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(C)C)C1 1508140875 KCAUKHVHPBYSIO-JKSUJKDBSA-N 409.556 1.702 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNS(C)(=O)=O)cc1 1513657980 LGHMFELTLWDXJN-QGZVFWFLSA-N 418.523 1.176 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NC(C)C)CC1 1517708667 APXHEBBWXCLAEH-UHFFFAOYSA-N 411.466 1.230 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1cccc(CN3CCS(=O)(=O)CC3)c1)C2 1532955164 YDSASDGKZYLOPO-NRFANRHFSA-N 409.511 1.686 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)OC 1535097992 MEGIWSHHMLDSAE-YOEHRIQHSA-N 412.483 1.850 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)Cc3ccccc3N3CCCC3=O)CC2)c1C#N 1537402925 IEOYGLQKJQNDNU-UHFFFAOYSA-N 406.490 1.618 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CN(Cc2ccccc2)CCCO1 1539145496 LZHMGJXUVWWAAI-HXUWFJFHSA-N 424.549 1.777 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@]1(C)CCCO1)[C@H]1CCS(=O)(=O)C1 1539216436 RTNMYEZJYIVEKM-FXAWDEMLSA-N 415.519 1.536 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1539416645 RAEHNRFPQQOREO-DLBZAZTESA-N 410.540 1.083 30 10 HDEE C=C(C)COCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1539758998 WDLXCHWRPMWQFN-UHFFFAOYSA-N 418.586 1.814 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)[C@@H]1C 1540861949 MTXWEIJHZSQQQX-AWEZNQCLSA-N 413.482 1.231 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1540881460 JTCPKULKNGFYDC-CVEARBPZSA-N 416.526 1.210 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1541112072 DVSIMCNAAOEXTO-LPHOPBHVSA-N 421.549 1.924 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)COCCO2)cc1 1542483767 ZDCKBSZXUPNFMW-WIYYLYMNSA-N 413.478 1.700 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1542994938 BXAKMYWEGVCKRF-GOSISDBHSA-N 418.505 1.917 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCN3CCC[C@@H](C)C3)CC2)c1C#N 1543001785 BUCOEKGHUMCCAY-MRXNPFEDSA-N 411.558 1.559 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)CNS(=O)(=O)c1ccccc1 1544587089 AYBBQIMQORORHX-UHFFFAOYSA-N 400.504 1.427 30 10 HDEE CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H](C)C#N)CC1 1546933036 ABHDJWGOVUOXNY-CVEARBPZSA-N 424.571 1.787 30 10 HDEE CCOC1CC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[C@](C)(C#N)C2)C1 1548036203 HISJRUXMPVFZQB-ZWVUXNTGSA-N 416.526 1.574 30 10 HDEE CO[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1554600736 FKQHFIZNBUNHRB-WMZOPIPTSA-N 411.510 1.800 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@H](C)C1 1556310486 ZARBCVFGBMLISI-YDDNPURISA-N 420.554 1.687 30 10 HDEE COC(=O)c1cnc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)s1 1557106790 YYRAYKQZXNOLRN-LLVKDONJSA-N 422.488 1.531 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)Cn1cc(C#N)c(O)nc1=O 1557155009 CDMFKMHNROLGOJ-UPJWGTAASA-N 405.455 1.065 30 10 HDEE COC(=O)CC[C@H](NC(=O)COc1ccc(C#N)cc1OC)C(=O)OC(C)(C)C 1557305641 DPGXFGYMGSXGRP-AWEZNQCLSA-N 406.435 1.725 30 10 HDEE C=C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1557621925 JCRCSVQLKFGOKH-CQSZACIVSA-N 405.432 1.981 30 10 HDEE COc1nn(C)cc1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1558744009 WXJBYRXKMKBJJI-LXDLAPCHSA-N 403.483 1.832 30 10 HDEE CC(C)CN(Cc1ccc(C#N)cc1)C(=O)NCCS(=O)(=O)N=S(C)(C)=O 1565368967 UQKWMQDETDTEKC-UHFFFAOYSA-N 414.553 1.783 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N(C)c2ncc(CC(=O)OCC)s2)cc1 1570305105 CZARENYSBKQEGA-UHFFFAOYSA-N 423.516 1.990 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1585149059 RGSRYXFYIDCLAL-CQSZACIVSA-N 406.508 1.174 30 10 HDEE Cc1cc(Oc2ccccc2C#N)ncc1NC(=O)c1cn(CC(=O)N(C)C)nn1 1586550207 OXIWPOGXKXSXCS-UHFFFAOYSA-N 405.418 1.986 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1587602741 CFAJOVPTMBQNLL-INIZCTEOSA-N 424.530 1.987 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCOCCS(C)(=O)=O 1587608670 DLULSAHVGCLMLE-HNNXBMFYSA-N 406.508 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1587632359 KWEHDRTYXJUEFP-KHKYRLRFSA-N 417.554 1.510 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@]1(O)CCS(=O)(=O)C1 1587915574 ODTRQECHJALMFZ-AUUYWEPGSA-N 422.482 1.176 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)(F)F 1587999006 NRKKZDPVHNLABT-UHFFFAOYSA-N 405.384 1.265 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@]1(O)CCSC1)[C@H]1CCS(=O)(=O)C1 1588028955 AZZQDRKTZATKCY-KBXCAEBGSA-N 412.581 1.070 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588035150 PKWVIQWFOKOIOF-PKOBYXMFSA-N 406.483 1.260 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCCCCO)[C@H]1CCS(=O)(=O)C1 1588065096 UDGLXWDKXDEKFN-SFHVURJKSA-N 408.568 1.800 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCC(=O)NC1CC1 1588099508 OWTDRGYROTYGPC-UHFFFAOYSA-N 406.446 1.985 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)OCC 1588122656 RFJQPFBLIGSVLP-DZGCQCFKSA-N 412.874 1.073 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCN(C(C)C)C2)CC1 1588806235 KLFGNCHTLAKINT-LJQANCHMSA-N 408.554 1.611 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589547212 SVVQFOYTQFARKF-WOCWXWTJSA-N 406.527 1.818 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1)C1CC1 1595058444 MKDBKFUOHNYKKC-IRXDYDNUSA-N 423.539 1.111 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1595544778 LCPOFKCTWBPHQD-JKSUJKDBSA-N 415.498 1.550 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCC(N2CCCC2=O)CC1 1595569710 NLPFNMSBGAEKAF-UHFFFAOYSA-N 414.554 1.904 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCCO[C@@H](C)C1 1596751558 KCBBQPITBNRKIR-INIZCTEOSA-N 412.494 1.870 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2nc(CN(C)C)cs2)ccc1F 1598060759 SBHYPKPGMHUROG-UHFFFAOYSA-N 412.512 1.738 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CC[C@@H](C(F)(F)F)NC2=O)cc(OC)c1OC 1598244886 GRXWWTVZJBXFTD-SUNKGSAMSA-N 415.368 1.850 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 1598567639 NIJPSVKHTYVSRF-RZQQEMMASA-N 419.503 1.649 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc4c(cc3Br)OCO4)C[C@H]1CS(=O)(=O)C2 1617486621 HWJYIQHMRLDVTR-VFZGTOFNSA-N 413.249 1.188 30 10 HDEE C#CCn1cc(CNC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)cn1 1618807267 LAMSBZCRTYOFGS-KNQAVFIVSA-N 410.474 1.949 30 10 HDEE CO[C@]1(Cn2c(C(C)C)nnc2N2CCN(c3ncccc3C#N)CC2)CCOC1 1619048704 WAVGTJSVCPMSKJ-NRFANRHFSA-N 411.510 1.800 30 10 HDEE CN1C(=O)C[C@H](C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1c1cccnc1 1624819908 SAYIBJWSTVVPFX-NBOOPKSLSA-N 413.478 1.476 30 10 HDEE C#CCCOc1ccc(C(=O)Nc2cccc(S(=O)(=O)NCC(=O)OC)c2)cc1 1625582168 QTMAZQIYQQTSRO-UHFFFAOYSA-N 416.455 1.792 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nnnn2-c2ccccc2)CC1 1631251179 UDZHARBIDAHAQX-UHFFFAOYSA-N 410.478 1.929 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCO)CC1 1631504554 GEBGQUYVDDGDJM-QGZVFWFLSA-N 411.543 1.973 30 10 HDEE C#CCC1(O)CCN(C(=O)CN2C(=O)NC3(CCC(C(C)(C)C)CC3)C2=O)CC1 1633141243 UPGGEPDYWKIUDQ-UHFFFAOYSA-N 403.523 1.890 30 10 HDEE C=CCN(C(=O)c1cn(C(F)(F)CO)nn1)[C@@H](Cc1ccccc1)C(=O)OCC 1634103856 JYIANVGSQKWFAX-INIZCTEOSA-N 408.405 1.622 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(I)cc1O)C(=O)OC 1635158925 OGDFOLGPGDIIDX-NSHDSACASA-N 405.188 1.471 30 10 HDEE CO[C@](C)(C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1635702033 YOJXIDVTJCPBTP-IIBYNOLFSA-N 401.463 1.522 30 10 HDEE COc1cccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2CCCN(O)C2=O)c1 1636546692 WIJRXHHIYZLFCJ-JKSUJKDBSA-N 407.467 1.627 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)N2CC=C(c3ccc(C#N)cc3)CC2)[C@H]1c1cnn(C)c1 1637760482 BCAFRFJRMXGSSX-VAMGGRTRSA-N 405.458 1.098 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cccnc2)C(C)(C)CO)cc1 1640097186 RKUJUYBXJAWLTA-SFHVURJKSA-N 401.488 1.483 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCN([S@@](C)(=N)=O)CC2)n(Cc2ccco2)c1C 1654721241 ARJYGWIKVQWFPQ-GDLZYMKVSA-N 418.523 1.766 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CCN(CC(=O)NC2CCCCC2)CC1 1661383267 DRKQYNJEZZNJGJ-UHFFFAOYSA-N 404.536 1.508 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)c1 1665183105 LILVPCBKUQGPTF-SFHVURJKSA-N 420.512 1.550 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)cc1 1666830441 UGSYEBZJZDZZLH-UHFFFAOYSA-N 406.529 1.974 30 10 HDEE CN1C[C@@H](CCNC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1684163588 IOJQKIYFOIRSEZ-KRWDZBQOSA-N 421.505 1.648 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1689875134 KSWUKUKNQDBPCR-YESZJQIVSA-N 408.572 1.365 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)Cc1ccc(F)cc1 1689945706 IEPXPNXQGGIBKO-OAHLLOKOSA-N 422.530 1.229 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1689986012 GYDHNDWYQXBTDY-CABCVRRESA-N 406.483 1.746 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H](C)N1CCOCC1 1690076907 DJKXBDLUEYBQAX-XLIONFOSSA-N 411.506 1.971 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCOc1ccc2c(c1)OCO2 1690104130 NJXZOJGSVJGMKD-MRXNPFEDSA-N 414.462 1.676 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(C)COCCO2)CC1 1690140002 HXCHTEINHUQBTG-QHCPKHFHSA-N 423.517 1.716 30 10 HDEE C=C(C)Cn1c(N2CCN(c3nccnc3C)CC2)nnc1[C@@]1(OCC)CCOC1 1690297647 ANCNPSKJEJAJRV-OAQYLSRUSA-N 413.526 1.931 30 10 HDEE COc1cccc(C(C)(C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1697500925 GPSKPDWVGAQMNQ-MSOLQXFVSA-N 424.505 1.944 30 10 HDEE COCCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1698184928 DBHWCYUEQSNEOO-RTBURBONSA-N 413.478 1.932 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CC2(O)CCOCC2)CCO1 1698492468 GPCMVTJAWCGDQD-HNNXBMFYSA-N 417.441 1.266 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](CCCC)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1701275159 AUMMCNVMQXDCRO-ZJKGHYPUSA-N 401.551 1.546 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1C[C@@]1(O)CCOC1 1705544793 DLKVIIALKSDZPM-SFHVURJKSA-N 421.295 1.937 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)CN2CCCCC2)CC1 1705639212 IXESUSHNLMFUIC-UXHICEINSA-N 400.571 1.659 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(OC)C1 1705655360 CBPJDBUIVNIBEW-UHFFFAOYSA-N 410.507 1.512 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCS(=O)(=O)NC 1705676706 LVVNQZQMFXGNGZ-HXUWFJFHSA-N 401.536 1.605 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(CC(N)=O)CC1 1705693304 DYLKTBKSXMCVRW-AEFFLSMTSA-N 418.542 1.489 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1705936237 MJAUGZRSNYCFTG-IBGZPJMESA-N 407.540 1.253 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC(F)F 1708478543 WCGHFHNRCSWREK-LLVKDONJSA-N 419.436 1.708 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(N(C)C)CCCC1 1708756336 AHAFKALVESHEIE-KRWDZBQOSA-N 417.558 1.800 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1712585847 LRUXLNUGOYGLHK-GOSISDBHSA-N 422.493 1.625 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC[C@@H](C(N)=O)C1 1722337086 UURPHHFLPCFOTA-CQSZACIVSA-N 405.462 1.709 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(OC)OC)c1 1722350802 DSILSWDDXYKXLL-KRWDZBQOSA-N 418.519 1.589 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1722358891 NEYUHOREDLISKT-INIZCTEOSA-N 421.567 1.645 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)C(C)(C)C 1722387644 OKWSWSVBJUAAFD-IRXDYDNUSA-N 401.511 1.237 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CC1CCN(CCN(C)C)CC1 1722402897 GOQJDEPPKIAOQC-UHFFFAOYSA-N 403.575 1.149 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)cn2C)n1CCC(=O)NC 1722419735 CDTKEYSVAJJEEO-UHFFFAOYSA-N 423.315 1.268 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCCO1 1722423010 WJOFHBBTOSXAPG-WIYYLYMNSA-N 406.527 1.974 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1722526081 NPYWKNXFIWYAAG-TXPKVOOTSA-N 410.540 1.593 30 10 HDEE C=CCCOCCn1c(N2CCCN(C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1722626854 ITTIWCBODQTPNX-OAQYLSRUSA-N 421.542 1.582 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](c2ccnn2C)C1 1722697710 NIJRRAGNKXWWHZ-MRXNPFEDSA-N 408.510 1.703 30 10 HDEE CC(=O)N1CCC(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)CC1 1722761501 GJYQCLFLYHKPOZ-OAHLLOKOSA-N 401.515 1.397 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCNS(C)(=O)=O 1722862306 BHVXJNIAKNRWLF-KGLIPLIRSA-N 424.502 1.702 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1728186565 OMTWAXDMTGYFOQ-JOCHJYFZSA-N 424.505 1.729 30 10 HDEE CCN1CCN([C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)C[C@H](C)C#N)CC1 1728604873 CUWCJSFLBRLMBO-RTBURBONSA-N 410.570 1.886 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2(CC)CCOCC2)CCOC1 1728815086 BXSAQPRFHJZQMU-UTKZUKDTSA-N 419.526 1.866 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CCC2(C1)OCCO2 1730760825 BMJYRDXXJGXXSL-MRXNPFEDSA-N 413.482 1.645 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C#N)c2)n1CC[C@@H]1COCCO1 1730761852 JGTOLVVUMWPJCN-LJQANCHMSA-N 410.478 1.989 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CC3CCCC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1731180503 BZGKWXANHJLUSD-LIRRHRJNSA-N 403.462 1.441 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CCO1 1731188774 IODJWFZKQOQGPU-UONOGXRCSA-N 422.898 1.006 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCN(C)[C@@H](C)CC)CC1 1740704742 SYZHBUGBSVGULM-KRWDZBQOSA-N 411.554 1.969 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N(C)CC(=O)N1CCOCC1 1740763737 PKEADGBTTIBWCV-PXNSSMCTSA-N 403.527 1.507 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740862041 IKIZTLSKMKYESW-INIZCTEOSA-N 424.571 1.351 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)[C@H](C)CC(N)=O 1740957701 XUJLSQYJWOYDCL-OAHLLOKOSA-N 422.493 1.133 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@@H](OC)C1 1740965108 ZQXGOZPWOACKNV-MRXNPFEDSA-N 415.494 1.783 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(C)(=O)=O 1743679318 QDQFQMHHZKZABU-LBPRGKRZSA-N 404.496 1.371 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c([C@H]2CCCO2)nnc1N1CC[C@](F)(C#N)C1 1744513813 QBKUXSLGIGJLFV-BEFAXECRSA-N 403.462 1.924 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1cc(COC(C)(C)C)on1 1747219114 FSIBVZIZBIQQKW-MRXNPFEDSA-N 404.471 1.895 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCC1CC1 1747767508 GWXQWXYINTTWQV-UHFFFAOYSA-N 404.478 1.713 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc(C(C)(C)C)s1 1748671716 NAOTXKMNNWNUIL-STQMWFEESA-N 422.580 1.835 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)F)[C@H](C)C1 1748758089 RPSDBXDFXVFZJB-OAHLLOKOSA-N 412.460 1.887 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCc1cccc(C(=O)NC)c1 1748875156 LFACDBLMHGWJOR-UHFFFAOYSA-N 420.517 1.482 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCC(=O)NC(C)C)CC1 1748985017 ZECNAPJREPDFFD-UHFFFAOYSA-N 424.505 1.344 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC(NC(C)=O)CC1 1749020406 RWNIWXBGEHJGIU-UHFFFAOYSA-N 420.583 1.668 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)COC)CC1 1749232099 CLAMEHUKHJCWJB-UHFFFAOYSA-N 414.510 1.152 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1749485281 PNRCRVHYDDOFNP-UHFFFAOYSA-N 423.521 1.977 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)c1)C1CC1 1749519974 VROFRVMOBFRMEG-MRXNPFEDSA-N 404.540 1.701 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1749650004 GUOZVYNUHRKHSP-HYVNUMGLSA-N 418.542 1.360 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1749658275 IYBYALVHULHLGO-UHFFFAOYSA-N 407.478 1.211 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1749676057 CELPXXXXMOPSBO-SFHVURJKSA-N 423.521 1.157 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccs1 1749830205 GIRZVIPNJVFPJX-AWEZNQCLSA-N 409.537 1.656 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[C@@H]2COCCO2)CC1 1760257639 CHMOEDSHDPDXGV-GOSISDBHSA-N 411.506 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC[S@](=O)CC)CC1 1760269922 GYAWBIYZTGQDBG-MUUNZHRXSA-N 407.584 1.601 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc(C)s1 1760295669 UQJXCUBGYVLNCX-RDTXWAMCSA-N 420.564 1.575 30 10 HDEE C=C(Cl)Cn1c(Cc2csc(C)n2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760377724 LIVMRBFTYQBKFL-TZMCWYRMSA-N 411.915 1.747 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC[S@](=O)C(C)(C)C)C1 1760534778 GEAOPHQLBAAERS-JMGYQRAPSA-N 411.572 1.745 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1760568655 OUEFXGYZDDLVFC-OXJNMPFZSA-N 423.583 1.905 30 10 HDEE Cc1cnn(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)c1 1762194742 MQXQDTAYNVZNQQ-WOJBJXKFSA-N 417.489 1.966 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)CCO1 1763081887 KLKGPJRIUIINEF-OAHLLOKOSA-N 419.507 1.103 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OCCN(C)C)c1 1766428615 IEUKHPCEEQIJAO-IBGZPJMESA-N 414.510 1.532 30 10 HDEE COC[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](OC)C1)OC 1770778627 AXLXUOPQXYMNBO-ROUUACIJSA-N 401.467 1.615 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cccnc2)nnc1N1CCSCC1 1770833234 PXWVXDAXXRCETA-VLGSPTGOSA-N 411.491 1.420 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)N3CCC(COc4cccc(C#N)n4)CC3)CC2=O)cn1 1850627121 FSFFKCXMDDYRKT-INIZCTEOSA-N 408.462 1.357 30 10 HDEE Cc1ccn(-c2cc(N3CCN(CC(=O)Nc4ccccc4C#N)CC3)ncn2)n1 1851445570 UILDDFMCPRWBSD-UHFFFAOYSA-N 402.462 1.603 30 10 HDEE N#Cc1cnc(NC(=O)C2CCN(S(=O)(=O)C3CC3)CC2)c(Br)c1 1851678902 DEVBIPGEMHMBAD-UHFFFAOYSA-N 413.297 1.858 30 10 HDEE O=C([C@@H]1CCC(=O)N1c1ccccn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852068042 QDOLYWMVIYMCII-NSHDSACASA-N 418.397 1.838 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4coc(C)n4)CC3)CC2=O)CC1=O 1853639030 UGCVNKQGVYCJMN-MSOLQXFVSA-N 414.506 1.605 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2ccccc2OC)C1=O 1853682576 MXOJBYNJZJSEFO-IAGOWNOFSA-N 415.490 1.310 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854258927 QMTBMSUNRGPJJU-LJQANCHMSA-N 406.490 1.159 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)c3ccc(Br)cn3)C(=O)C2)C1 1855072121 BFVJFMJAKQBARK-CQSZACIVSA-N 406.284 1.116 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3cccc(C#N)c3)C2=O)[C@H](C2CCOCC2)C1 1855099655 XSANMDSXTKFARB-RTWAWAEBSA-N 410.518 1.732 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1855376179 ZDDBBBGHDCZKGT-GJZGRUSLSA-N 415.519 1.879 30 10 HDEE CN(CCC#N)C[C@H]1CC(=O)N(C(=O)C2CN(C(=O)c3ccc(F)c(F)c3)C2)C1 1855707353 XSILUXIAXYXJMF-CYBMUJFWSA-N 404.417 1.257 30 10 HDEE C[C@@]12CCC(=O)N1CCCN2C[C@@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1 1855807038 NCKJSIIAJSWTCA-CVDCTZTESA-N 408.502 1.910 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cncc(F)c3)C2)CC1 1855837492 FYIOHVOIHMCYRP-HNNXBMFYSA-N 408.437 1.298 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)C3CC(F)(F)C3)C2=O)CC1 1856174696 CTSBLIUVNRXAEZ-INIZCTEOSA-N 403.433 1.638 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cncc(Br)c3)C(=O)C2)C1 1856832488 QISRCJGMOHTLJA-INIZCTEOSA-N 407.312 1.779 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCc2ncc(C)o2)C1)[C@H]1CCN(C)C1=O 1857050101 DGTVTYCTSSPFRU-SJORKVTESA-N 402.495 1.400 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccc(F)cc2)C1)[C@@H]1CCN(C)C1=O 1857076994 TVVKBBDSEXUXGG-VQIMIIECSA-N 417.481 1.688 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O)c1ccccc1 1857149764 MJAPYBYCLFCUEP-BEFAXECRSA-N 404.474 1.400 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ncoc3C(C)C)C(C)(C)C2=O)CC1=O 1857446029 ARZIIYMXRZQCOT-OAHLLOKOSA-N 402.495 1.782 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860959286 BIJYWXSUYFEVGS-INIZCTEOSA-N 421.457 1.602 30 10 HDEE COCCCNC(=O)[C@@H](Cc1ccc(F)cc1)N=C1NS(=O)(=O)c2ccccc21 1869934096 YTGGECMULUKYRU-QGZVFWFLSA-N 419.478 1.628 30 10 HDEE C#CCOc1cn(C[C@H](c2ccccc2)N2CCCC2)c(CN2CC(O)C2)cc1=O 1870563700 LLJHXGYBGQFMEK-JOCHJYFZSA-N 407.514 1.874 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(C)c2C)[nH]1 1871591539 KAZCFZTUWYALEM-UHFFFAOYSA-N 417.521 1.790 30 10 HDEE C=CCn1c(C(=O)N2CCN(Cc3ccccc3)CC2)cc2c(NCCO)ncnc21 1875231510 QHZPBUQTUCBPHJ-UHFFFAOYSA-N 420.517 1.980 30 10 HDEE Cc1ccccc1Cn1cccc(C(=O)N(C)C2CN(c3nccnc3C#N)C2)c1=O 1890452912 LPMFCDGZTFTFDE-UHFFFAOYSA-N 414.469 1.828 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCc3nnc4ccc(OC)nn34)n[nH]2)c1C 1892253246 TXZBATMFLUJCBX-UHFFFAOYSA-N 421.465 1.842 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCC(C#N)CC2)cc1 1892320184 LAIAGMGGKHLIHN-LJQANCHMSA-N 418.519 1.950 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@H]2COC[C@@H]21 1988230191 IUQWWOVQGPYXMY-RYUDHWBXSA-N 411.318 1.545 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010406333 SQUPOWSJRSQHNU-CYBMUJFWSA-N 418.303 1.971 30 10 HDEE C=C(CNC(C)(C)C)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@@H]21 2165101497 DXVXKTQJFCJARL-JKSUJKDBSA-N 401.573 1.649 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)OCC1(C)C 2174787060 PXOXPUSMTPPZIO-ZIAGYGMSSA-N 402.517 1.081 30 10 HDEE C[C@@H](NS(=O)(=O)CCS(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177632993 ZCRPTQOUNYSNJC-LLVKDONJSA-N 423.387 1.072 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](S(N)(=O)=O)CC12CCC2 2239517782 JCAXRAWRCFYQIM-ZIAGYGMSSA-N 401.529 1.658 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NC/C=C/B3OC(C)(C)C(C)(C)O3)[C@@H]21 2245253035 GKCOJJLECHWHST-UWUUIOHPSA-N 408.304 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CC(c2nc(NC(=O)C#CB3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247813808 ZBYNTAKAJUDEAB-UHFFFAOYSA-N 417.275 1.712 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247814800 UQHNARYFTFWMHK-QAPCUYQASA-N 410.327 1.959 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247863949 YIHKINNSTHUGOT-LSDHHAIUSA-N 421.303 1.336 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(CNC(=O)C(F)(F)F)C1 2247930469 TWHCZIUXIPEIBO-UHFFFAOYSA-N 415.221 1.075 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055916 OPIHUKHIOGZCFG-ZDUSSCGKSA-N 420.319 1.809 30 10 HDEE Cn1nc(C(=O)N(CCC(=O)O)Cc2ccccc2)cc1B1OC(C)(C)C(C)(C)O1 2248593258 LFLWFUYLCMNATG-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250008685 OZVURQYZZGVQQE-INIZCTEOSA-N 421.347 1.679 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2270540575 PLLAFLBBMJWLCE-KRWDZBQOSA-N 424.519 1.766 30 10 HDEE COc1ccc(NS(=O)(=O)N2CC[C@H](C#N)C2)cc1I 2280487036 OYPZSPFNJZEZGD-SECBINFHSA-N 407.233 1.802 30 10 HDEE CCCS(=O)(=O)C[C@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282012304 UJXFTUYSTNQJTB-NSHDSACASA-N 402.347 1.385 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1)S(C)(=O)=O 2282200690 OAVSBIPJCGCMNJ-NEPJUHHUSA-N 401.359 1.941 30 10 HDEE CN[C@@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282318108 YKVQCDQAFQRKSW-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE C[S@@](=O)CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331233 LCGQKECIQFYMRP-RUZDIDTESA-N 419.399 1.436 30 10 HDEE C[C@@H]1C[C@H](CO)CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282346055 SUPQZJAFIFERNA-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1 2282510310 WZNRYBRCCJWWOA-BETUJISGSA-N 400.375 1.559 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282596621 CFZKAFGYRQFBNQ-NSHDSACASA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@](C)(O)[C@@H](O)C3)sc2Cl)OC1(C)C 2282615421 PBXNLYLCARZCCH-SJCJKPOMSA-N 401.721 1.659 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCCN[C@H]1C 2282844132 YNQSNTFMLMSJBX-AAEUAGOBSA-N 400.375 1.775 30 10 HDEE CCCCN(CC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284399848 OXGAJXXJBGQXIJ-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE CC(=CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406163 USHBLIWLCISDKB-UHFFFAOYSA-N 401.315 1.498 30 10 HDEE CC1(C)OB(c2cc(C(=O)N=[S@@](C)(=O)CCN)c(Cl)cc2F)OC1(C)C 2285973032 KRDGUDGEJATJDC-SANMLTNESA-N 404.700 1.975 30 10 HDEE C=C1CC(CN)(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316823134 YHLMDVPFUGYJJU-UHFFFAOYSA-N 405.520 1.810 30 10 HDEE CC(C)(C#CC(=O)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1)S(C)(=O)=O 2317387537 ZKMCMMIPLJKNAX-FQEVSTJZSA-N 407.488 1.546 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCCC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365173481 UIZABIRMDVROCQ-IFXJQAMLSA-N 401.525 1.971 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365210217 HPNNOOICOPGQND-HRLGVUPISA-N 402.557 1.585 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365211541 MINIKUPSACCFMD-CCKFTAQKSA-N 402.557 1.586 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367830107 GEKXPESVSAEPRV-DOXZYTNZSA-N 400.541 1.292 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1 105283756 YNPNRANLRHYAMT-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE CC(C)(/C(N)=N/O)N1CCN(C(=O)c2csc(I)c2)CC1 124459148 SUEUGWNGCNNFPD-UHFFFAOYSA-N 422.292 1.636 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccc(Oc3ccc(C#N)cc3)cc2)CCN1CCO 427418122 ZWMIJEIKDLPKIR-MRXNPFEDSA-N 408.458 1.814 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)N2C[C@@H](O)C3(CC3)C2)cc1[N+](=O)[O-] 428211005 SIAWTLXOEYEJNZ-QGZVFWFLSA-N 411.418 1.977 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2ccnn2C)c(=O)n1C1CCC1 430987353 GEBGPJVRUNMHLL-UHFFFAOYSA-N 420.494 1.763 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cccc([C@H]2CNC(=O)C2)c1 435518664 JVOVKERSWRNPNE-GDBMZVCRSA-N 405.462 1.694 30 10 HDEE N#Cc1ccc(C2(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)CC2)cc1 436116959 XTDRHBZVVPPVKT-UHFFFAOYSA-N 424.482 1.349 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C1CCN(C(=O)c2ccoc2)CC1 465182891 IGHGWZQQHGMVTK-HNNXBMFYSA-N 408.462 1.531 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCN1C 466047465 ZKXOILVWFGGJNJ-WBVHZDCISA-N 405.524 1.057 30 10 HDEE CO[C@@]1(C)C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 466678194 SAWDADBELZGVRI-XLIONFOSSA-N 420.535 1.778 30 10 HDEE Cn1ccnc(N2CCN(C(=O)Nc3cccc(C#Cc4ccccn4)c3)CC2)c1=O 467703036 QRKGPSIWULJPQO-UHFFFAOYSA-N 414.469 1.929 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C 482310944 FFAFOHMXHSJHKD-DYVFJYSZSA-N 403.508 1.862 30 10 HDEE N#CCC(=O)N1CCN(C(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CC1 503640639 BQTULVQAMPQUMI-UHFFFAOYSA-N 415.450 1.661 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)cc1 503853549 HADJRMNRIDPBSA-GOSISDBHSA-N 412.471 1.392 30 10 HDEE CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 509723733 GLJDZKAYAANZMD-DLBZAZTESA-N 402.520 1.818 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1c1cccnc1 510430359 XDNFQDYIEBTMSU-LAUBAEHRSA-N 407.449 1.961 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccco2)c(=O)n1-c1ccc(C(N)=O)cc1 523256236 ZBQYINYOAVFMCY-UHFFFAOYSA-N 419.462 1.463 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2cccc(F)c2)C(=O)C1 549691229 ZLUQWIXIJIXNTL-SFHVURJKSA-N 415.469 1.930 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCOC1 549973799 OOMSQJAEBNIYCV-DLBZAZTESA-N 415.519 1.724 30 10 HDEE CCOC(=O)C(C)(C)n1cc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cn1 562416034 GHOGQEZGSCXWPU-UHFFFAOYSA-N 411.466 1.802 30 10 HDEE COCCS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)cc1 569979879 GBRLSVAMEGYZPG-UHFFFAOYSA-N 417.487 1.986 30 10 HDEE N#Cc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)cc1 573361060 VNSLOMLUEBWODH-UHFFFAOYSA-N 412.471 1.644 30 10 HDEE C=CCN(CCCNC(C)=O)S(=O)(=O)c1cc(N2CCCC2=O)ccc1OC 586153657 OGXAWYYSIPUYGP-UHFFFAOYSA-N 409.508 1.525 30 10 HDEE N#C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(F)cc1 604458413 ORSIJYKCESURBB-MRXNPFEDSA-N 408.480 1.886 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cscn2)c1=O 604523593 UGYPTXQCUZMVIK-UHFFFAOYSA-N 405.570 1.992 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCN(CCN2CCOCC2)C1 609686322 AHLZHYLVYCQRTH-IBGZPJMESA-N 417.510 1.699 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NCc3cccc(N4CCOCC4)n3)CC2)nc1 613980868 JQLQYXPYNATVDI-UHFFFAOYSA-N 421.505 1.653 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)CC1 619104065 IHBGENHIQOOCGQ-UHFFFAOYSA-N 403.442 1.565 30 10 HDEE O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCCN/C(O)=C1/N=CC=CC1=O 732155498 CPYNCAJBTZJRFH-LNVKXUELSA-N 419.437 1.939 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N(C)[C@H]3CCN(CC(F)(F)F)C3=O)cc2C1=O 732782998 CSZINOXAIALESG-AWEZNQCLSA-N 409.364 1.704 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@@H](C#N)c2ccccc2Br)c(=O)n(C)c1=O 733266905 PPXQVNNJZQJKHJ-DANTVBBOSA-N 403.236 1.241 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(CCOCC)c2=O)cn1 735069293 RKHLXHQVXIANCC-UHFFFAOYSA-N 402.520 1.281 30 10 HDEE CN1C[C@H](NC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CCC1=O 738908270 YXEBDZWLDMOQEB-VDVBZYJVSA-N 407.496 1.242 30 10 HDEE COc1cc(F)ccc1N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 746273958 LFPQTDJOAPGCSJ-FMQUCBEESA-N 402.426 1.399 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cc(C(F)(F)F)[nH]n1 746291274 WYHXTPPGBDFNDJ-UHFFFAOYSA-N 401.370 1.886 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@@H]2C[C@@H](O)c2ccco2)c1 751507266 NSWDASACWUGPMT-FUHWJXTLSA-N 420.487 1.709 30 10 HDEE Cn1ccnc1CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC1 758750503 FYQRINYAPJJOAD-JKSUJKDBSA-N 417.514 1.006 30 10 HDEE COc1ccc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1CO 763041483 PHDRPQYABUUSES-GFCCVEGCSA-N 403.460 1.643 30 10 HDEE COc1cc(NC(=O)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1OC(C)C 768164278 DVVJIYMINKQGOJ-ISLYRVAYSA-N 416.434 1.064 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 770330112 UKHLELYLMWUEAR-UHFFFAOYSA-N 400.483 1.748 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cccc3c(=O)c4ccccc4[nH]c23)CC1 770433179 BIDNKOKPROUPIS-UHFFFAOYSA-N 416.481 1.579 30 10 HDEE CNC(=O)[C@@H](NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C 772422960 ZPKXMTXGXIZTDG-AABCQZNVSA-N 409.512 1.392 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)ccc1OCCOC)[C@H]1CCCO1 773057185 PGYWKIDQDOTMFG-ZIAGYGMSSA-N 418.309 1.933 30 10 HDEE C#CCN(C(=O)NCCOc1cccc(C(F)(F)F)n1)[C@@H]1CCS(=O)(=O)C1 774262062 MCWFSSMFPKCURC-GFCCVEGCSA-N 405.398 1.311 30 10 HDEE CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)c1 786682291 GFGLGTNUNOVZPW-MRXNPFEDSA-N 423.560 1.751 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCC(=O)c2ccc3c(c2)OCCO3)n1 788815329 OSRCAMNCHSSHCR-UHFFFAOYSA-N 411.458 1.926 30 10 HDEE CCc1nc(C2CCN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)CC2)n[nH]1 791215843 VMSBJSYJGSJQLL-UHFFFAOYSA-N 416.507 1.202 30 10 HDEE Cc1nnc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(C)c3C)n2)s1 1084576632 IQZLYBAPTJSABK-UHFFFAOYSA-N 406.501 1.492 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2nnn(C(C)(C)C)n2)cc1 1125202139 DGJOZEQUNORLIU-STZFKDTASA-N 405.484 1.493 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)cn1 1126400819 DFHPEYSILWENCC-CABCVRRESA-N 404.471 1.229 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C[C@@H](C)CC)NC(=O)OC(C)(C)C)CC1 1140132810 PKBABAWIIYENLW-IRXDYDNUSA-N 408.543 1.210 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCCCC1 1148335262 WHXVZGMNAIHNFJ-MRXNPFEDSA-N 407.492 1.715 30 10 HDEE COC(=O)[C@@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOC1 1149498310 QJAYNICACKZQSS-IAEFTCJHSA-N 407.467 1.222 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(c2ccccc2OC)CCC1)c1cc[nH]n1 1153876145 DJMXVSIPSBVZTQ-UHFFFAOYSA-N 414.462 1.940 30 10 HDEE N#Cc1ncc(N2CCCN(S(=O)(=O)c3cccc4cnccc34)CC2)nc1C#N 1166873299 QMGNVMAFRCHOMK-UHFFFAOYSA-N 419.470 1.669 30 10 HDEE CC(C)(Oc1ccc(C(F)(F)F)cc1)C(=O)NCCn1cc(C#N)c(O)nc1=O 1167526734 CKMJXHJCVSUBPI-UHFFFAOYSA-N 410.352 1.813 30 10 HDEE C=CCC[C@@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1176771628 OOWBWOMKJABBGI-IERDGZPVSA-N 400.479 1.924 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCOc3ccccc3[C@@H]2CO)cc1 1178769172 HWZDVUFTHFRZDK-SFHVURJKSA-N 400.456 1.428 30 10 HDEE C#CCOCCN(C)C(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1181748579 UCGNWDARGLZPHE-UHFFFAOYSA-N 408.520 1.982 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2ccc(C#N)c(Br)c2F)CC1 1185746476 UARIHPVZYKFTIT-UHFFFAOYSA-N 420.304 1.948 30 10 HDEE COC(=O)c1cc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)n(C)c1C 1234023510 JJUXAAIBFOZNLU-LJQANCHMSA-N 423.473 1.987 30 10 HDEE Cc1c(Br)cccc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1252365134 ZXCVGGONZMBHIM-BBRMVZONSA-N 412.309 1.837 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1Br 1252916388 VBKDENRWUPZRNV-JTQLQIEISA-N 410.286 1.399 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(C)c1 1286297943 DRBUHTWMZXTTDF-INIZCTEOSA-N 405.510 1.692 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1286376104 FNHFZSQXHYPVHX-MRXNPFEDSA-N 401.492 1.256 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)[C@H](C)CC)CC1 1286485595 QXHUSKLYRILSTJ-AABGKKOBSA-N 418.586 1.488 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCNC(C)=O 1286515955 UNHKERGRMWLOKS-NHCUHLMSSA-N 403.527 1.837 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c(C)nnc1N1CCN(S(C)(=O)=O)CC1)C(C)C 1286750484 BDTZTOGCQJJSGX-SFHVURJKSA-N 410.588 1.367 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CCO1 1288356897 AOIAOFUVJTUGIR-IRXDYDNUSA-N 414.466 1.372 30 10 HDEE Cc1nc(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(C#N)c(C)c1C 1289435949 GYCMKXBOIIWEKM-KBXCAEBGSA-N 404.517 1.367 30 10 HDEE CCOC1CC2(C1)C[C@@H]2C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1290635749 AORDPPLFOLQWDP-KGXSXCIVSA-N 403.504 1.596 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(C#N)cc1 1290746873 DCIUUKBSYNFJCQ-ZDUSSCGKSA-N 421.500 1.117 30 10 HDEE CC[C@@H](C)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1291428629 AIHVPZLRGZJUDH-HUUCEWRRSA-N 411.510 1.793 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)n1 1298915920 HMCDJKHZCITLQF-CYBMUJFWSA-N 409.427 1.702 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@H](C)CC 1300302713 CXXUXAALTLGTET-ZIAGYGMSSA-N 400.483 1.769 30 10 HDEE C#CCCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1300420006 YMZUKZZOGLIFFU-IBGZPJMESA-N 420.517 1.949 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@H]2NC(=O)CC2(C)C)CC1 1300712317 OXGNXMBFCGVJSS-DOTOQJQBSA-N 414.554 1.672 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300889461 QMZHVZMFNGDVSC-BJLQDIEVSA-N 405.543 1.799 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300989843 RKGOJSNJUSQKGO-PMACEKPBSA-N 419.570 1.923 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1302502030 AVPBBMOGNOCZEU-KKSFZXQISA-N 412.494 1.447 30 10 HDEE CS(=O)(=O)Cc1noc(NC(=O)COc2ccc(C#N)c(Br)c2)n1 1306607563 APKCAIROYQXASC-UHFFFAOYSA-N 415.225 1.266 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)OC)o2)CC1 1308914327 NPKYODFZXKRUTG-UHFFFAOYSA-N 417.487 1.318 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2CCc2cccs2)cc1 1316533172 GFETYVIVEKFECY-UHFFFAOYSA-N 408.487 1.969 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)C1 1320161429 YWKPKZLUZMCHNE-CYBMUJFWSA-N 408.567 1.196 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@H]2[C@@H](C)CC(=O)C[C@H]2C(=O)N2CC[C@@H](OCC=C)C2)C1 1344129045 GRCSHTKSVYLYTH-YNWKUBOOSA-N 418.534 1.825 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)CN2CCC[C@H](C(=O)OC)C2=O)ccc1OC 1353364128 KCFMFCDTJSDRFF-CVEARBPZSA-N 417.462 1.404 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](Cc1ccccc1)OC 1358890778 VQZWCVKCJSXQOH-QXAKKESOSA-N 416.547 1.896 30 10 HDEE C#CCCCCn1c([C@@H]2CCCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1358912245 MPIQJRVZLFFRCP-IRXDYDNUSA-N 409.556 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN(C(C)=O)C1 1358980567 ATNCDSWOHZIXOC-SFHVURJKSA-N 410.547 1.965 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)C 1358986436 WUOFXBKPLVCKGX-JOCHJYFZSA-N 415.538 1.554 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCCCS(C)(=O)=O)CC1 1359045190 ZGOLIWZBAKORDM-UHFFFAOYSA-N 421.567 1.336 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCO[C@H](c2nnc(C(C)C)o2)C1 1359292324 NADJDXBAFFRKKS-AWEZNQCLSA-N 403.487 1.788 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)N(C)C 1359472062 FDFAUJXAYYXOIA-AWEZNQCLSA-N 422.493 1.266 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc2c(c1)CCN2C(=O)CNC(C)=O)C(=O)OCC 1438907733 KRCYWPBTRJEOQS-QGZVFWFLSA-N 401.463 1.340 30 10 HDEE C#Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1449800635 PEIFQPCZCVFMOO-UHFFFAOYSA-N 414.483 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](n2cc(C(=O)N[C@@H]3CCCN(O)C3=O)nn2)CC1 1450274835 XEWFLJPYGVSTOR-ZIAGYGMSSA-N 422.486 1.350 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(c3)B(O)OC(C)(C)C4)cc2C1=O 1454452739 VGIIEABBMPXJAZ-UHFFFAOYSA-N 404.231 1.760 30 10 HDEE C#CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1456082226 HUFQDYALICKHHC-HOTGVXAUSA-N 411.524 1.613 30 10 HDEE C=C[C@H](CC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1456324729 NTJAUZUAQPVJIU-CQSZACIVSA-N 407.492 1.453 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)Cc2ccccc21 1457963458 BYBYGSJNPUYISG-GOSISDBHSA-N 413.455 1.136 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC[C@H](NC2CC2)C(F)(F)F)c1 1458034745 DWIUZUFZSFHOAC-HNNXBMFYSA-N 403.426 1.401 30 10 HDEE N#Cc1cn(C2CN(c3ncnc4cc(Br)sc34)C2)c(=O)nc1O 1458486630 DCEXBGYYVXZSFZ-UHFFFAOYSA-N 405.237 1.649 30 10 HDEE CS(=O)(=O)Nc1ccc(N2CCN(C[C@@H](O)c3cccc(C#N)c3)CC2)cc1 1459896883 BDYJZLHGBZXSLV-HXUWFJFHSA-N 400.504 1.785 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CC(=O)NC2=O)c1 1464290975 RHNLQVCINCFMSZ-GHOZOMOVSA-N 420.491 1.271 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)C[C@@H]2CC(=O)NC2=O)c1 1464290980 RHNLQVCINCFMSZ-GTMGWDBPSA-N 420.491 1.271 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)c1 1464308342 AABGETAOKNQXOD-UHFFFAOYSA-N 415.471 1.373 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2(S(C)(=O)=O)CCC2)n1 1464713455 WUEWLKHFHRBAIU-UHFFFAOYSA-N 413.550 1.706 30 10 HDEE CN(C)CCN(Cc1cccc(O)c1)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1465987177 BRKONLAXYRKUHZ-UHFFFAOYSA-N 416.503 1.133 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](c2ccccc2)c2nn[nH]n2)s1 1470630522 YGWFZSYNIOZFAX-MRXNPFEDSA-N 418.504 1.174 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1470958722 FHXSLUNWBDYQEG-LBPRGKRZSA-N 413.425 1.777 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCN(CC(F)F)C2)cc1 1471485036 CXGIHIQIQTVJIK-CYBMUJFWSA-N 400.451 1.195 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CC)CN3CCOCC3)ccc2c1=O 1472621782 FOWOXQRJHXGPOC-HNNXBMFYSA-N 402.520 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1507522801 JRCVLKBGVMNKBW-DOTOQJQBSA-N 412.519 1.556 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2cccc(C)c2C)n1Cc1nnn(C)n1 1507641946 FSPIHJDYEPBOQE-QGZVFWFLSA-N 404.478 1.680 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@H]1COCCO1 1507701334 DCQOOWCGOFXNHR-HKUYNNGSSA-N 400.454 1.976 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1cscn1 1508070806 DILMTVOGIAENTC-UHFFFAOYSA-N 412.479 1.321 30 10 HDEE CC(C)(C)OCCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1508689663 OCHUEQZIKQEVKL-CQSZACIVSA-N 418.523 1.813 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)CCOC1 1509805046 QEFDWHTXIQJCIR-OAQYLSRUSA-N 421.542 1.848 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(O)CCC[C@H]2C)CCOC1 1509818684 SOIDKZIKCVBNJB-SGLNWRHMSA-N 419.526 1.599 30 10 HDEE CCC1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1514099859 WZQFEEJHVSKPLQ-CZIZESTLSA-N 424.509 1.831 30 10 HDEE COCCN(C)CCn1c(C(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1519116028 IQIZSJJMCZFSHB-UHFFFAOYSA-N 412.542 1.573 30 10 HDEE C=C[C@H](CC)CC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1527892862 UKJMWZUGZAJHTB-QGZVFWFLSA-N 409.552 1.866 30 10 HDEE C=CC[C@]1(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2OC)CCCN1C(=O)OC(C)(C)C 1531664806 UIZCNJHUQIAQMI-SUNYJGFJSA-N 402.513 1.260 30 10 HDEE Cc1noc([C@@H]2OCC[C@@H]2NC(=O)c2ccc(S(=O)(=O)CCCC#N)cc2)n1 1534628450 ADJNQSLUIBZCBM-JKSUJKDBSA-N 404.448 1.716 30 10 HDEE COC(=O)[C@@](C)(Cn1cccn1)NC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 1537509908 WBEYMLLSGLRRET-OAQYLSRUSA-N 413.453 1.858 30 10 HDEE C#CCCCCn1c([C@@H](C)OCCOC)nnc1N1CCC2(CC1)COC(=O)N2 1539052601 GZNMNVXJHHEZLJ-MRXNPFEDSA-N 405.499 1.884 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCCOC(F)F)[C@@H]1CCS(=O)(=O)C1 1539215562 FLOQEOMQYZAZRH-CYBMUJFWSA-N 413.450 1.529 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1539215877 KTIAASIDIPZPJH-YESZJQIVSA-N 414.535 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@](C)(O)c1ccco1 1539337911 OEDIIHDAYQRKDA-JLMWRMLUSA-N 412.490 1.966 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1539454083 HXAWWKPUUUFFJK-FCHUYYIVSA-N 423.561 1.749 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCNC(=O)C(C)C 1539628277 OVUCCSWSMNEZKO-NUJGCVRESA-N 418.542 1.419 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@@H](C)C1 1539632793 UHCDBHIXQOTTMD-MHORFTMASA-N 424.567 1.777 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)C(C)C)CC1 1539699747 DFBHBPFNGCLCCD-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=C(C)Cn1c(N2CC[C@@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1539734026 ZOVRKYKGDHFFPL-RTBURBONSA-N 410.540 1.521 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2ccco2)nnc1[C@@]1(OC(C)C)CCOC1 1540876722 YYNSRVAIZXLRKV-HXUWFJFHSA-N 403.483 1.850 30 10 HDEE CC(C)(O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1541245287 GXECBNPPZFDWRY-KRWDZBQOSA-N 411.510 1.536 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(C#N)nc2)C1 1544363651 WHYWNQFQHSPNAP-MRXNPFEDSA-N 415.494 1.375 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC(C#N)CC1 1547741721 JUTVGQWNRTXACD-OAHLLOKOSA-N 406.531 1.904 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1547900075 GGZBWNDJSZNIJG-YSGRDPCXSA-N 402.499 1.339 30 10 HDEE CO[C@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1555175295 UXECVZKCNSPYSL-ROAZCBAYSA-N 400.483 1.543 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)C2CC2)C1 1555986119 ZBGNMGHKQLDRDQ-SFHVURJKSA-N 403.849 1.962 30 10 HDEE CCCCS(=O)(=O)CC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1557389367 DVTPVUQKUNGTIK-UHFFFAOYSA-N 415.519 1.812 30 10 HDEE CCn1nccc1CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1557565312 USIHYZXOXOTEBU-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1557745076 FGPKSXSGLXUMDQ-PGRDOPGGSA-N 423.554 1.892 30 10 HDEE Cc1cccc(Oc2ccc(NC(=O)Cn3c(=O)c(C#N)cn(CCO)c3=O)cc2)c1 1559440835 RCYHNDUEIZTDQA-UHFFFAOYSA-N 420.425 1.613 30 10 HDEE C=CCN1CCC(NC(=O)N2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)CC1 1563958547 MTUMWGPXLCRXEU-IBGZPJMESA-N 407.536 1.823 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1565815123 WLKLORRCQWDXMX-INIZCTEOSA-N 415.490 1.233 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)C1 1566816729 RQJZPLLBRMOVQR-OAHLLOKOSA-N 414.549 1.558 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)NC(C)C 1587580217 NYXDNNAEPOJXDO-AWEZNQCLSA-N 403.508 1.331 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1587807839 JKRYOGRVAKJJLH-GBESFXJTSA-N 405.543 1.572 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1587857464 ZBDAQARHVFGLFM-IBGZPJMESA-N 414.554 1.678 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1cnn(CC)c1 1587985208 WAMBVJYEWGCXMZ-UHFFFAOYSA-N 405.510 1.786 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCN1CCN(C)C(C)(C)C1 1588214127 JDJVOCWYYYQTBP-UHFFFAOYSA-N 408.554 1.168 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C[S@](C)=O)cc2)CC1 1588891645 RQODVTTYEAQPOY-LJAQVGFWSA-N 413.547 1.479 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1589669370 RULCHOOMDLKRGB-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1593747547 YPFQYVRMGSTXQE-RTBURBONSA-N 405.543 1.533 30 10 HDEE C=CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nn(C)c(=O)cc2C1 1594669274 UKRGCAWZGGBCMH-UHFFFAOYSA-N 420.477 1.548 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCCC2=O)C1 1595529700 DVQDPOGKOUDMDF-INIZCTEOSA-N 409.494 1.152 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)NC(C)(C)C 1595784072 BIKXOXCPKVNONK-UHFFFAOYSA-N 408.528 1.225 30 10 HDEE CO[C@]1(CNC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 1598279753 KFUWATOLVACSIN-KDOFPFPSSA-N 417.528 1.284 30 10 HDEE CC(C)(C)OC(=O)N1C2CCC1(C(=O)N1CC(n3cc(C#N)c(O)nc3=O)C1)CC2 1607498328 SZCZEZVZVIJRAZ-UHFFFAOYSA-N 415.450 1.136 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1 1610401203 JNEXFABCRZRGOU-UHFFFAOYSA-N 413.865 1.699 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1615908917 LGUUBYBQHASQIV-CYBMUJFWSA-N 415.498 1.764 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCOC[C@@H]1C 1620099394 BOZYKUPALZHKMW-BOSXTWCSSA-N 422.505 1.165 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CCCCCCS(N)(=O)=O)[C@@H](C#N)C1 1621714774 CPBTZOABQXIAAE-AWEZNQCLSA-N 402.517 1.197 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OC 1624256800 NMAMSNFINAMTEX-DZGCQCFKSA-N 420.462 1.689 30 10 HDEE CCN(C)C(=O)[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1624583867 HEGHPWWPZNKEDA-KRWDZBQOSA-N 408.524 1.124 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(c2nc(N)n[nH]2)CC1 1625447467 WSUSJZKFXNCBMB-UHFFFAOYSA-N 405.256 1.806 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCOCc2ccc(C#N)cc2)c1 1628968778 XLSXFGDDZNCJHC-UHFFFAOYSA-N 411.483 1.759 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(Cn2ccnc2)c1)c1cc[nH]n1 1629671839 CQGVTJUNIWYBRA-UHFFFAOYSA-N 410.434 1.255 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(C(=O)NCC(C)C)CCCC2)c1 1630716529 ZSXBDZXTJUQYEN-UHFFFAOYSA-N 405.520 1.413 30 10 HDEE C[C@](CO)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1cccc(C(F)(F)F)c1 1633332945 MUHYSLBUUKYSOB-IECKCJDVSA-N 411.380 1.946 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2cnc(C(F)(F)F)c(C#N)c2)C1 1635498358 BLWOCVQWZVJTSC-VXGBXAGGSA-N 400.357 1.682 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc(Br)s2)CC1 1636479544 CDYBUZMDPBUQMA-LLVKDONJSA-N 420.354 1.226 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CCO1 1637450006 TXCBVPRURAOFDS-NRFANRHFSA-N 400.479 1.891 30 10 HDEE COCCN1CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1640660692 UOEYWKJIZCWADY-UHFFFAOYSA-N 422.551 1.075 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)CNS(=O)(=O)c1ccc(NC(C)C)c([N+](=O)[O-])c1 1640899457 ZHZXDABOHCAOTE-ZBFHGGJFSA-N 412.468 1.153 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3cnccc3C#N)CC2)C1 1641698598 NYSYMMRRYFOCKS-OAQYLSRUSA-N 415.494 1.364 30 10 HDEE CC(C)(C)n1nc(Br)c2c(N3CCN(C(=O)CC#N)CC3)ncnc21 1642877421 FFCPYTYWTNRZLW-UHFFFAOYSA-N 406.288 1.906 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1 1643120262 HTHLKZRMKYPNGZ-CVEARBPZSA-N 419.526 1.540 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)c(Cl)cc2OC)CC1 1643372252 CPIRAOPVGNHNIQ-UHFFFAOYSA-N 406.291 1.227 30 10 HDEE N#CC1(CNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)CCCC1 1644335284 NCGIVZBMBIETQY-HOCLYGCPSA-N 411.911 1.664 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)Nc2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)C1 1644470379 YRJJIVCPFAHWOR-KZNAEPCWSA-N 419.547 1.768 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1nnc2c(=O)[nH]ccn12 1645342926 RBSPXEHNCIIAHY-CHWSQXEVSA-N 404.471 1.844 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2ccc(C)cc2)C[C@H]1C(=O)OC 1648605424 SCSWJHNUCHGGLD-KBAYOESNSA-N 401.463 1.524 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCc3cc(C(F)(F)F)n[nH]3)C2=O)cc1 1650708758 NBMFWVGTFADBGD-ZDUSSCGKSA-N 420.351 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)C1 1653700211 ZLXCFWGKJIBVLI-WUKNDPDISA-N 404.467 1.372 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)C1 1656883516 IUWCTDAYWNTJKI-SHZVTRLKSA-N 409.455 1.965 30 10 HDEE N#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)nc1 1663771022 CAICZEAAMVBSED-UHFFFAOYSA-N 411.447 1.368 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1 1665325937 OJMVRKPVYRMMSC-OAHLLOKOSA-N 406.508 1.798 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1670587925 HXZQNDPXJKSVMA-RBUKOAKNSA-N 424.519 1.324 30 10 HDEE CN1C(=O)CN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)Cc2ccccc21 1671495316 QHSXHVWXLVLEJR-HZPDHXFCSA-N 413.478 1.934 30 10 HDEE COCCNC(=O)C1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)CC1 1671555626 CDMZJWKCIODMAS-UHFFFAOYSA-N 424.505 1.643 30 10 HDEE C#C[C@@H](NC(=O)NC[C@H](c1ccc(OC)cc1)N1CCOCC1)C1CCOCC1 1675294588 KRFHIYHFQXQPLR-NHCUHLMSSA-N 401.507 1.796 30 10 HDEE C#C[C@H](NC(=O)N1C[C@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1)[C@H]1CCCO1 1686184647 NHLRAJYEABEYQS-CUDXAZJSSA-N 420.506 1.720 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H](O)CC2(CCCC2)C1 1689875521 UUFANVVCWYMSMR-IAGOWNOFSA-N 423.583 1.823 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2cccs2)CC1 1689912770 AJTJQWJSVGKEGM-OAHLLOKOSA-N 422.580 1.690 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(F)ccc1N1CCOCC1 1689943383 RJDUHBBHFLXGOD-UHFFFAOYSA-N 414.485 1.510 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1689989271 CPISCTDOKGEUQG-ZIAGYGMSSA-N 420.457 1.751 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CC2(O)CCOCC2)CC1 1690119635 MDJOKUNZEKMLOC-UHFFFAOYSA-N 415.925 1.895 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](OC)[C@H](OC)C1 1690236300 LFCRPPNJUBJMMS-FJIDUMEYSA-N 419.526 1.345 30 10 HDEE C=C(C)Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1690298131 QGMPWBSOPDAKJS-OAQYLSRUSA-N 420.558 1.153 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)OC(C)(C)C1 1690497487 RCTPJDQFWCWVSR-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1690664592 YTJYYAJZVDVCPA-JOCHJYFZSA-N 410.522 1.772 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1690668269 YTGIOLPNFCYKSZ-UHFFFAOYSA-N 423.521 1.481 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCN1CC=CCC1 1692785909 MOVJCJWPISMYRB-INIZCTEOSA-N 421.571 1.280 30 10 HDEE Cc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1693495905 QIYHVAZNTGHANA-YTLYVFJMSA-N 414.510 1.756 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CCCCS2(=O)=O)CC1 1698491589 GYZJJXCCQIGNRT-IAGOWNOFSA-N 407.540 1.879 30 10 HDEE C#CCCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705534690 ONPSGWYROOLTOS-QZTJIDSGSA-N 411.462 1.155 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1S(=O)(=O)N(C)C 1705554215 PDDJKHRLKNXRGK-UHFFFAOYSA-N 424.530 1.632 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C)o2)n1CCCN(CC)S(C)(=O)=O 1705592605 NXBAIRJRDBTBJD-UHFFFAOYSA-N 417.535 1.981 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCO[C@H]1C(C)C 1705630088 GKOFDKGATXOATI-PXNSSMCTSA-N 403.527 1.548 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2Cc2snnc2C)CC1 1705643891 DBAFYTPWPQQJHR-ZDUSSCGKSA-N 401.540 1.966 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705688980 WNHHRIOCCIHZDW-MELADBBJSA-N 410.316 1.748 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1705717617 NVFFACVNPCBKSQ-DLBZAZTESA-N 411.572 1.856 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N(C)CC(=O)N1CCOCC1 1705738763 JXNYRCKWXZJENA-UHFFFAOYSA-N 414.510 1.152 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1705861591 JRJOEGLNLYKVHM-INIZCTEOSA-N 403.508 1.466 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1705904624 UADXYZFLCVSBQB-QGZVFWFLSA-N 400.531 1.829 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](OCC2CC2)C1 1705905407 URYNFRUNXOTKSV-IBGZPJMESA-N 410.522 1.962 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)CN1CCCCC1 1712566093 KGNFTRBXOGHBDQ-GUDVDZBRSA-N 420.558 1.853 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](C(N)=O)C3)n2CCCO[C@@H]2CCOC2)c1 1712878462 MLRRHICLTCMGSX-RBUKOAKNSA-N 424.505 1.714 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccs1 1722295171 JLOLMQBCQYHFJW-GDBMZVCRSA-N 423.564 1.373 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1722297259 YSAHDWNYFBXPGN-JYJNAYRXSA-N 408.524 1.181 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1722382181 FRZKGGIEMUJNCD-MRXNPFEDSA-N 415.519 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCO[C@H]1C 1722389703 KVULATAXSQVWLM-KKSFZXQISA-N 409.446 1.856 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(C)c1 1722393879 JZGFSYNGLKGIQQ-UHFFFAOYSA-N 413.485 1.936 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1-n1cccn1 1722396943 GOLQVPIXCNQCNL-GOSISDBHSA-N 414.473 1.321 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCO2)n1Cc1cccnc1N1CCOCC1 1722401592 DSNBXKBRGYVIRK-HXUWFJFHSA-N 420.517 1.872 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@]1(C)CN(C2CC2)C1=O 1722428349 FZEGVEYYELGYRV-IERDGZPVSA-N 401.511 1.269 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCCC(=O)NC2CC2)CC1 1722434998 DDVAFXWLKPXARF-UHFFFAOYSA-N 410.497 1.898 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2Cc2cc(C)nn2C)CC1 1722441585 STXPHNGWVPDIJC-UHFFFAOYSA-N 403.534 1.909 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1722452168 BSZRGWQUOMRJPD-OAHLLOKOSA-N 418.567 1.278 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722494013 LMADESDCRVHUKP-LDBYXDLTSA-N 416.526 1.114 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722522387 NFCORDPJXOUKKQ-INIZCTEOSA-N 402.499 1.023 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1722537603 OYGMJWZZWPAYGI-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE C=C(Cl)Cn1c(N(C)[C@@H](C)CS(C)(=O)=O)nnc1[C@]1(OC(C)C)CCOC1 1722557486 PANJRPWIAOGBNA-YOEHRIQHSA-N 420.963 1.941 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1722622412 MTGRFRMUCAGXRL-VIQHNZTISA-N 409.556 1.716 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1722867423 GJLINNMNMBNZRL-GUXCAODWSA-N 417.535 1.684 30 10 HDEE CC(C)[C@@H](Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1723113697 BRXPBSQUAUGWKK-RBUKOAKNSA-N 411.510 1.426 30 10 HDEE Cn1cc(-c2nnc(N(CCS(C)(=O)=O)C3CC3)n2Cc2ccc(C#N)o2)cn1 1729568969 PHVBWIAZILFMSZ-UHFFFAOYSA-N 415.479 1.205 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1730402072 CBZQOKAVLDTBRQ-DLBZAZTESA-N 402.499 1.306 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1740610083 RRUAQBFSOPGDAW-KUHUBIRLSA-N 406.483 1.296 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1740625482 FXWFVMBXPHKFDA-QZTJIDSGSA-N 423.583 1.487 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)cc2F)CC1 1740689283 UMWQHORETIXRPL-UHFFFAOYSA-N 414.460 1.596 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCOC2CCOCC2)CC1 1740695093 DOAHCUXTBIVTKS-UHFFFAOYSA-N 410.522 1.681 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CCOC2)CC1 1740701179 XEWCRRUEBSEGGM-GUDVDZBRSA-N 401.555 1.988 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CCN1CCN(C(C)=O)CC1 1740939886 LHYMEIAGEJHHLW-UHFFFAOYSA-N 415.542 1.087 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN([C@H](C)C(F)(F)F)CC1 1740956094 LHRUGFUEJPLQKZ-CQSZACIVSA-N 423.443 1.715 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1741992813 CRLNNKKOBORDBS-JKSUJKDBSA-N 407.478 1.043 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1748656855 ZYGZDQBNHOTRIZ-SJORKVTESA-N 411.506 1.907 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1748725321 ZKGOMWVZEYCLDJ-KRWDZBQOSA-N 406.556 1.813 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748794383 UXUBXYCBHCGGBS-CQSZACIVSA-N 423.489 1.498 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CCC1 1748833269 NPKRNQANFKPEST-UHFFFAOYSA-N 407.499 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1748834352 KDSFXTYLBBXRSM-INIZCTEOSA-N 410.865 1.660 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1749037242 CFRDUAFGCXVUMS-QZTJIDSGSA-N 416.551 1.640 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1749082987 KJUXBVXMHUCQRZ-WDEREUQCSA-N 414.260 1.439 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1OCCC1(C)C 1749600377 XCYLWMLFVUAYHW-HOTGVXAUSA-N 412.556 1.634 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749609618 XAXKOSUIXOATRC-OAHLLOKOSA-N 408.466 1.672 30 10 HDEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ncccc2C#N)CC1 1749666409 ITQVVLFAMFDVKA-UHFFFAOYSA-N 421.509 1.698 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1749667055 RVLLBEUVPINLID-HDICACEKSA-N 415.586 1.453 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H]1c1nncn1C 1749669011 BOAKNLJCDZXCRW-LSDHHAIUSA-N 400.487 1.292 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]2OCCC[C@H]2C1 1749740575 GUFKXOQYJUSPOJ-GVDBMIGSSA-N 410.540 1.736 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCOC3)C2)n1Cc1ccc(C#N)o1 1751219011 LFSKHOHLFJGLIV-ACJLOTCBSA-N 420.495 1.018 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760180388 DECWWJBAXQESCW-APWZRJJASA-N 408.524 1.133 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCN(C2CC2)C1 1760207509 MBKODFICWMUFLJ-QGZVFWFLSA-N 422.558 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)cc2OC)n1C[C@@]1(O)CCOC1 1760214414 NPJUIBDWXNPINN-QFIPXVFZSA-N 410.474 1.577 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNC(=O)c1cc[nH]n1 1760230923 PQKJEQGTLIEVLB-UHFFFAOYSA-N 407.434 1.286 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCN1CCCS1(=O)=O 1760231034 SNTQWEYCSNXPDO-UHFFFAOYSA-N 417.491 1.169 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CC(=O)NC(C)C)CC1 1760263253 UFBKWSDGEWNLOO-UHFFFAOYSA-N 408.550 1.733 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1760359039 BCKJKLIJLYQGEK-ROUUACIJSA-N 402.543 1.666 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760441028 WOYBELSLQPONJK-LSDHHAIUSA-N 411.528 1.423 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1760522439 TURBSHCHDJZFPS-INIZCTEOSA-N 416.526 1.066 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2ccnc21 1760696879 UYOSGMYBUIULMV-PMPSAXMXSA-N 417.539 1.550 30 10 HDEE CN(CCC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1767299390 JIAZLZHCCUXJGU-HTXNQAPBSA-N 410.482 1.441 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCN(C)C2)CC1(C)C 1769089499 CJGBYABKMMXKFJ-XMSQKQJNSA-N 410.522 1.745 30 10 HDEE COCCn1c(Cc2csc(C)n2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1771119897 MUWBZEYUMWSAIT-UHFFFAOYSA-N 424.534 1.874 30 10 HDEE N#Cc1cnc2ccc(F)cc2c1N1CCC(C(=O)NCCn2ncccc2=O)CC1 1850788626 XMOZQSVRUYQVFU-UHFFFAOYSA-N 420.448 1.835 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)c(Cl)c2)CCO1 1851049673 MSHJBGHRBJNCQE-NHYWBVRUSA-N 401.847 1.383 30 10 HDEE C[C@H]1Oc2ccc(C(=O)N3CCCC3=NS(=O)(=O)C(F)(F)F)cc2N(C)C1=O 1851616319 JCSAWLVDTZTGIL-SECBINFHSA-N 419.381 1.914 30 10 HDEE C[C@@H]1CC(=NC(=O)[C@H]2CSc3nccc(=O)n3C2)NN1c1ccc(Cl)cn1 1851781548 UNPQUGGDWCEGGP-GHMZBOCLSA-N 404.883 1.742 30 10 HDEE CN1CC[C@H](N2CCN(CCCCCC(=O)NCc3ccc(C#N)cc3)CC2)C1=O 1852047903 CNYXWZOLTJSITC-NRFANRHFSA-N 411.550 1.583 30 10 HDEE COC(=O)[C@H]1CCC[C@H](C(=O)OCCN2CCN(c3ncccc3C#N)CC2)C1 1852674965 XVTABOGSOWLTPY-IRXDYDNUSA-N 400.479 1.598 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cncc(OC(C)C)c2)C1=O 1854167469 HIYUCEMDHUPUKA-ZWKOTPCHSA-N 400.479 1.329 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(-n3cccc3)cc2)C1=O 1854179333 PSHOCHWEEIGFRP-PMACEKPBSA-N 406.486 1.937 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc3n(n2)CCCC3)C1=O 1854263081 POGWYOYNAWRXOM-MOPGFXCFSA-N 413.522 1.459 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccc(OCC)nn2)C1=O)[C@@H]1CCN(C)C1=O 1854303313 XCGZXRLYMHHWDT-DLBZAZTESA-N 415.494 1.115 30 10 HDEE Cc1noc(C)c1CCC(=O)N1CCN([C@@H]2CCN([C@H](C)CCC#N)C2)CC1=O 1854940348 BFWSJMGTLVWUKS-CRAIPNDOSA-N 401.511 1.661 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCC(Cn4nccn4)CC3)C2=O)cc1 1855196207 LNFMEBHNVHJIJM-HXUWFJFHSA-N 406.490 1.622 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@@H](OC(=O)[C@H]2COc3ccccc3C2)CO1 1855783622 JJMXRDZSRNSIKD-IAGOWNOFSA-N 414.439 1.657 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)CCc3scnc3C)CC2=O)CC1=O 1856143814 ADOYNDJUPZUISC-CVEARBPZSA-N 404.536 1.335 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cccc4c3OCCO4)C(=O)C2)cc1 1856310225 KVHIWGHGTYSWIY-UHFFFAOYSA-N 407.426 1.693 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2nc(C)n3ccccc23)C1=O)[C@@H]1CCN(C)C1=O 1856739577 FEJGXBIEUAUKLD-ZWKOTPCHSA-N 409.490 1.493 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2cccnc2OCC)C1=O)[C@@H]1CCN(C)C1=O 1856748088 FCAOXBXZGCHVRF-DLBZAZTESA-N 400.479 1.330 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)c2cccc(OCc3ccccc3)c2)CO1 1857024324 FGLKRKWOEUHSQH-SFHVURJKSA-N 402.428 1.892 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1C[C@H](CN2CCC3(CC2)C[C@@H]3C#N)CC1=O 1857223271 FKYVERFUDNOTEO-JKSUJKDBSA-N 415.515 1.704 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(OC)cc2OC)C1)[C@H]1CCN(C)C1=O 1857264917 QAZLVYCHPZTHBX-YJBOKZPZSA-N 415.490 1.411 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)CCn3ccnc3)C2)C1 1857471949 GLQPDOFQZMMONF-INIZCTEOSA-N 408.462 1.068 30 10 HDEE C=CCOc1cn(Cc2ccc(OC)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870387857 WOQUIBBQGXRDHR-UHFFFAOYSA-N 413.518 1.580 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C[C@H]3CCCCO3)CC2)CC1 1889305701 CIRXEIJICXCPBR-JOCHJYFZSA-N 405.583 1.983 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)c1 1891126506 TYWJUEJJRWVVOC-JKSUJKDBSA-N 411.487 1.864 30 10 HDEE N#C[C@H]1CN(C(=O)[C@]2(N)CCN(Cc3ccccc3)C2)CCN1Cc1ccccc1 1914860178 GMCPEYHDBCGABA-UPVQGACJSA-N 403.530 1.826 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1963654804 DCCNTZJGMKZDRD-CYBMUJFWSA-N 416.316 1.987 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(S(N)(=O)=O)s1 1964086785 KMULRNNHIYWLDG-GFCCVEGCSA-N 403.526 1.871 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC 1982282485 XPYPBTYGBAINNP-JTQLQIEISA-N 415.306 1.271 30 10 HDEE CC(C)(C)OC(=O)N1CCSC[C@@H](NS(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2118170474 QZLQGXRGRKJWHA-KBPBESRZSA-N 404.558 1.409 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NC/C=C/B2OC(C)(C)C(C)(C)O2)C1 2245256754 ICFSOMPNFYZWOD-IKVXTMSFSA-N 410.320 1.956 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H]1CNC(=O)OC(C)(C)C 2247846010 YOTLOLLEXSXYFZ-JSGCOSHPSA-N 420.319 1.362 30 10 HDEE CN(CCCNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C)Cc1ccccc1 2247857691 WYIDQXGLXXXVCX-UHFFFAOYSA-N 413.331 1.366 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC1CC(NC(=O)OC(C)(C)C)C1 2247910126 JEUQEAUCFFWMFY-UHFFFAOYSA-N 420.319 1.505 30 10 HDEE N#CCCN(CC1CC1)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258165369 GCHXCEVTKQIKJC-MRXNPFEDSA-N 409.464 1.321 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@H](C2OCCO2)C1 2267121940 FFWYZCKLIHARNJ-ZDUSSCGKSA-N 408.329 1.976 30 10 HDEE C#CC[C@@H](CN(C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2270538773 IXDKDOHFNFJANF-ROUUACIJSA-N 422.503 1.677 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](CO)[C@H]1C 2282313839 QMZDRWFHJURGBS-DGCLKSJQSA-N 401.359 1.747 30 10 HDEE COCC[S@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282334814 HAXPFKQPFURUJT-VWLOTQADSA-N 403.331 1.419 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CNC[C@@H](F)C3)cc2Cl)OC1(C)C 2282419103 MWCIIWNELYCBBL-VHSXEESVSA-N 424.756 1.679 30 10 HDEE C[C@@H]1COC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282499053 MSJUMVJVVFXUEM-RISCZKNCSA-N 401.721 1.952 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1 2282508488 WZNRYBRCCJWWOA-CHWSQXEVSA-N 400.375 1.559 30 10 HDEE CCCN(C)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282512027 QOCOJSJFPJSUNY-UHFFFAOYSA-N 402.391 1.809 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3[C@H]4CNC[C@H]43)cc2Cl)OC1(C)C 2282828494 PCAFJJBAIWDIHH-JGPRNRPPSA-N 418.777 1.444 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](O)C(F)(F)C2)sc1B1OC(C)(C)C(C)(C)O1 2282836422 JULUPCOKIZORTQ-JTQLQIEISA-N 409.285 1.356 30 10 HDEE C[C@@H]1C[C@@H](N)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282839903 JWGZEWYPTYCTMB-DGCLKSJQSA-N 400.737 1.749 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](F)[C@@H]3CCOC3)c2)OC1(C)C 2282849026 VQKIVCSLQJEVKL-DGCLKSJQSA-N 405.322 1.700 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@H]3C[C@H]3CN)ccc2Cl)OC1(C)C 2282874399 ZXTFEWOLNTWMIL-NWDGAFQWSA-N 400.737 1.512 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@@H](O)[C@H](F)C2)OC1(C)C 2282876039 XIGKNPXRGCFWLP-CHWSQXEVSA-N 405.684 1.343 30 10 HDEE CCN(CC)CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882986 UCFKAJPDEGRGGK-UHFFFAOYSA-N 402.391 1.809 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284393993 SAUIEJICFYDEEZ-NSHDSACASA-N 401.315 1.593 30 10 HDEE C=CC[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284402422 JAFDQFKAMAUXQH-GFCCVEGCSA-N 401.315 1.496 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)N2CCC[C@H](C#N)C2)cs1 2286719607 DIVUAEUGNPXYTC-GFCCVEGCSA-N 415.541 1.738 30 10 HDEE Cn1nc(Br)c([C@H](O)[C@@H](N)C#Cc2cccc(Br)c2)n1 2296226633 HHOZGPDFCDIMLG-CMPLNLGQSA-N 400.074 1.753 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](N)(C#CC(C)(C)S(C)(=O)=O)C[C@]2(CCCO2)C1 2365255607 YAJOGYSSTODMIH-RBUKOAKNSA-N 400.541 1.701 30 10 HDEE COc1[nH]c(=NCCn2ncc(Br)n2)ccc1B1OC(C)(C)C(C)(C)O1 2365348805 VMYNHMADQBCUQW-UHFFFAOYSA-N 424.108 1.277 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3C[C@@H]4C[C@H]3CN4)cc2Cl)OC1(C)C 2366676235 FMEKWMBRSSPTJT-JBLDHEPKSA-N 418.777 1.729 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@H]1CCCO1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367790879 IBKDPIOUWRPXBP-OWCLPIDISA-N 400.541 1.747 30 10 HDEE COC[C@]1([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367791150 XVAKRHIWVMTICQ-KXBFYZLASA-N 400.541 1.701 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)[C@H]1C 2367819139 XJLAUDJWSXNCGM-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c2C)nn1 23571270 HEIFFGBJKXJRCD-IBGZPJMESA-N 400.439 1.581 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 29756048 FPQQDWLAUQFCJD-OAHLLOKOSA-N 417.462 1.998 30 10 HDEE C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C[C@@H](C)/C=C\C(=O)[C@](C)(O)[C@@H]1OC(C)=O 43510356 COWWBPRRBQOULA-NABHEWRGSA-N 406.431 1.420 30 10 HDEE biogenic CS(=O)(=O)c1ccc(OCCCN2CCN(c3ncccc3C#N)CC2)cc1 63388369 SXGCKKYJISDQHH-UHFFFAOYSA-N 400.504 1.948 30 10 HDEE C=C(C)COc1cccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCCC)c1 66225002 COCCMNZFCWXDCO-SFHVURJKSA-N 403.479 1.724 30 10 HDEE C#Cc1cccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)OC)CC(=O)N3OCCOC)c1 72146113 DFPXIYYHXWEKJG-GOSISDBHSA-N 414.458 1.242 30 10 HDEE COc1ccc(S(=O)(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)cc1OC 96352186 NMCHMSCMKYYUTP-UHFFFAOYSA-N 402.472 1.736 30 10 HDEE N#Cc1ccc(N2C(=O)C(c3ccc(F)cc3)=C(N3CCN(CCO)CC3)C2=O)cc1 169989970 QAVFFYGNKGZLCZ-UHFFFAOYSA-N 420.444 1.592 30 10 HDEE COc1ccccc1N1CCN(CC(=O)N2CC[C@H](Oc3cc(C#N)ccn3)C2)C1=O 238923041 UHJUKPSZVCIPMY-KRWDZBQOSA-N 421.457 1.884 30 10 HDEE N#Cc1cnc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cn1 301152334 BDCNZHKFVZTDMJ-UHFFFAOYSA-N 414.310 1.683 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](c3n[nH]c(-c4ccccc4)n3)C2)CCO1 409496081 RZXIKFLIDACUOH-HZPDHXFCSA-N 402.480 1.120 30 10 HDEE CS(=O)(=O)c1cccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)c1 460763590 SHAGWPCDNIHJAV-UHFFFAOYSA-N 403.445 1.343 30 10 HDEE C[C@@H]1[C@H](NC(=O)N2CCN(c3ncccc3C#N)CC2)CC(=O)N1Cc1ccccc1 466850210 YVXFSPCMYFAUFG-YLJYHZDGSA-N 418.501 1.974 30 10 HDEE COc1ccc2c(c1)nc(CNC(=O)N1CCN(c3cccc(C#N)n3)CC1)n2C 472920652 CYXSCURKBSEOJQ-UHFFFAOYSA-N 405.462 1.880 30 10 HDEE CCNC(=O)N1CC[C@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccc3)c2)C1 473310673 YWEVCAONIZMFLP-FQEVSTJZSA-N 404.470 1.945 30 10 HDEE CC[C@@H](C)C(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C[C@@H]1CCCO1 474354328 JPVFVYJHLYUETH-WBVHZDCISA-N 411.527 1.911 30 10 HDEE Cc1nc(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)sc1SCC#N 475442791 IAHZMFGVEVRQSF-MRXNPFEDSA-N 423.520 1.621 30 10 HDEE CCOc1nc(C)ccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 478054687 CBHZZYMIGVYGQH-UHFFFAOYSA-N 414.487 1.807 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C#N)C3CC3)CC2)cc1OC 505937497 GDLXKPPVSGDMDM-MRXNPFEDSA-N 407.492 1.523 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2nc(-c3cccnc3)no2)c1 509838790 KRXXPYOJUOFDPG-UHFFFAOYSA-N 413.459 1.868 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 513853386 XJDDVHJSUMPEFI-UHFFFAOYSA-N 407.430 1.717 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 518571793 JRJDAFDOOBSSLC-APWZRJJASA-N 415.490 1.968 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC2(c3ccc(Cl)cc3)CCOCC2)C1=O 522979971 OPELUJZLCGDSKW-UHFFFAOYSA-N 405.838 1.439 30 10 HDEE N#Cc1ccc(-c2csc(NC(=O)CN3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)n2)cc1 525284203 PFFPXFYOAMUPEO-MUIFIZLQSA-N 408.439 1.783 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNC(=O)Cc2cccc(C#N)c2)CC1 530669823 CVRJEJMNGMYYLT-UHFFFAOYSA-N 412.515 1.353 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C1CC1 532818096 QAQXVPIBTSGKAE-OAHLLOKOSA-N 404.536 1.840 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1C[C@H]1CCOC1 533086256 IJWSXXJQZXTVPQ-CYBMUJFWSA-N 409.467 1.283 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCCC[C@@H]2CC(N)=O)CC1 538351093 XBWPDCPPWBPETN-RTBURBONSA-N 401.486 1.264 30 10 HDEE CC(=O)NC[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCO1 541106704 UVPXPWMKRMQNRW-OAHLLOKOSA-N 402.842 1.766 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 543884436 KQVSXZKVCUZSMH-UHFFFAOYSA-N 422.898 1.943 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546778522 HUXPEOGNIDLAFW-MSOLQXFVSA-N 410.584 1.713 30 10 HDEE COc1cccc(CN(C)C(=O)CN2CCN(c3cccc(C#N)n3)CC2)c1OC 546919166 HVLOVQFUMOHBPJ-UHFFFAOYSA-N 409.490 1.751 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1)C(C)C 555131989 GQPFJKIFMJRGJL-IBGZPJMESA-N 412.600 1.895 30 10 HDEE CN(C[C@@H]1CCCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C1)S(C)(=O)=O 566754733 HLRCWUKXLYEZPT-KSSFIOAISA-N 401.529 1.378 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)CC1 604158701 FMFAJQLTYMHRHF-SFHVURJKSA-N 403.527 1.436 30 10 HDEE N#CCNC(=O)COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(F)cc1F 731245596 KZXGIQACXJDRDB-VUCTXSBTSA-N 405.401 1.921 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 732153285 GLFATTZMMVTXJG-NXHAUGRDSA-N 416.865 1.331 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(OCC(F)(F)C(F)F)nc1 732155436 BAKVSQSGJCDMAJ-FYWRMAATSA-N 416.331 1.617 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(n2c(O)nc3ccccc32)CC1 732465077 DPTMMIJWNHTALH-VHEBQXMUSA-N 424.461 1.615 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@@H](C#N)C1)C2=O 732649540 YMCNOQFWMIXTIV-IVZHQMGZSA-N 401.511 1.322 30 10 HDEE N#C[C@H]1CN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CCN1C1CC1 732663637 BAALBGOSFLEMFG-AWEZNQCLSA-N 412.309 1.422 30 10 HDEE CC(=O)N1CCN(c2ccccc2CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)CC1 732699535 AWHMTNOJZSIJHW-HXUWFJFHSA-N 410.522 1.237 30 10 HDEE COC(=O)c1ccc(OC(C)C)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732706773 ONTMISJWWHLUCQ-INIZCTEOSA-N 414.462 1.398 30 10 HDEE Cn1ccnc1CN1CCN(CC2=CC(=O)n3c(nc4ccccc43)[C@H]2C#N)CC1 733310740 URROPQYTZGQEJG-KRWDZBQOSA-N 401.474 1.775 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C1(S(=O)(=O)c2ccccc2)CC1 734290694 ABWFTDPLZKAGRO-UHFFFAOYSA-N 404.469 1.678 30 10 HDEE COc1ccc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc1F 742175551 ZCVGTVIHKXRFBA-UHFFFAOYSA-N 404.467 1.676 30 10 HDEE O=S(=O)(c1ccccc1NN=Cc1cnn(-c2ccccc2)n1)N1CCOCC1 745200490 GESNQSVRRREFNN-UHFFFAOYSA-N 412.475 1.734 30 10 HDEE C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 746295380 HKBWNDWGVZNDHK-KTVWJZFRSA-N 411.506 1.230 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)NC2CCC(C(N)=O)CC2)c1 746816852 UZLJRGHMASQBIO-QJOMJCCJSA-N 421.523 1.665 30 10 HDEE C#CCN(C(=S)NCc1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 747651560 OZTXTDFZAJGTKR-AWEZNQCLSA-N 401.351 1.946 30 10 HDEE CCOC(=O)CCC1CCN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CC1 749081842 DQZIVZMUMXYYGF-UHFFFAOYSA-N 407.492 1.307 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 755578054 YYNMDVXTDWIAMG-NSHDSACASA-N 405.398 1.756 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NC[C@@H]1CN(Cc2ccccc2)CCCO1 758133443 BLLGNAADNPGWHN-GOSISDBHSA-N 400.504 1.909 30 10 HDEE CCOC(=O)CC[C@H](C)NC(=O)[C@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 762257673 MVIGCDLKXUDLEA-HOCLYGCPSA-N 423.535 1.988 30 10 HDEE COC(=O)c1ccc(Br)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)c1 769855565 RXJOHCHOGKPIKJ-AWEZNQCLSA-N 403.254 1.539 30 10 HDEE CC(C)(C)C(=O)NCCc1ccc(S(=O)(=O)N2CCN(C3CC3)[C@H](C#N)C2)s1 770683995 ISNIPYQISMYYQM-OAHLLOKOSA-N 424.592 1.814 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(-c3ccc(F)cc3)c2=O)cn1 772276802 NUXAYTFYBDTHBN-UHFFFAOYSA-N 423.473 1.363 30 10 HDEE C#CCN(C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1)[C@@H]1CCS(=O)(=O)C1 774049867 WRJXYPHLDDCKTG-MRXNPFEDSA-N 413.521 1.493 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774168440 YAAUBWZZNMIWFW-UXHICEINSA-N 419.547 1.200 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC(=O)NC(=O)NCc1cccs1 780176405 NIIONLYMYYROGE-GOSISDBHSA-N 409.464 1.879 30 10 HDEE CC(C)[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ncccn2)CC1 780209092 HFEOTDZAAZJLED-MOPGFXCFSA-N 423.473 1.298 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)n1 790105951 JDOLARMQYGVLMI-QZTJIDSGSA-N 414.487 1.196 30 10 HDEE COc1nccnc1C=NNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cn1 792928254 NKCWHNABVQNPOH-OKILXGFUSA-N 404.496 1.993 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)Cc1cc(F)c(OC)c(S(N)(=O)=O)c1 803523789 SQAXHEAOQYZQPE-INIZCTEOSA-N 404.463 1.775 30 10 HDEE CCN(C)C(=O)OC[C@@H]1CCCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O 806780549 CMYIADVRSCCGHX-HYEKCJMVSA-N 407.471 1.165 30 10 HDEE C=C(C)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCNC(=O)CC1 812182195 DPAYRIPAVMQFSI-OAHLLOKOSA-N 420.514 1.489 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3ccc(Cl)cc3C#N)c2)NC(=O)NC1=O 1116357536 ZLJBSUXDBZOVIW-SFHVURJKSA-N 418.862 1.745 30 10 HDEE N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)c1 1126098361 XGKHJCMUCRYNCZ-KRWDZBQOSA-N 417.874 1.658 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)NC[C@H](N1CCOCC1)C(F)(F)F 1128694107 PKBLWUIAFUMYRZ-KGLIPLIRSA-N 422.448 1.953 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)c2[nH]c3ccccc3c2C#N)CC1 1137131990 ZJPQYZKWQSHPJJ-UHFFFAOYSA-N 404.492 1.552 30 10 HDEE C[C@@H](O)[C@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(N2CCC(O)CC2)c(C#N)c1 1137497637 PFGLEBYYQFQTFR-VLIAUNLRSA-N 414.506 1.514 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn([C@H]3CCCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1148406074 KCVCBIHMZHQQRZ-INIZCTEOSA-N 417.510 1.841 30 10 HDEE C#CCN1CCC[C@H]1C(=O)N1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1154979700 OKCHVXUQGSMXQB-JBLFJGJOSA-N 404.507 1.454 30 10 HDEE COc1ccc([S@@](C)(=O)=NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1156278416 WNKUFTRSNWUZHB-AREMUKBSSA-N 407.473 1.529 30 10 HDEE N#CCc1ccc(Oc2ccc(C(=O)N3CCN4[C@H](CNS4(=O)=O)C3)cc2)cc1 1156622574 SXQFPNFGVYLGAV-QGZVFWFLSA-N 412.471 1.519 30 10 HDEE CCS(=O)(=O)N1CCC[C@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)C1 1163652362 PWSNAORJOUXHCI-PKOBYXMFSA-N 404.536 1.657 30 10 HDEE COC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1164160386 DGBKXXYAXLEASR-KRWDZBQOSA-N 404.419 1.637 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(O)(c3ccc(F)cc3)C2)s1 1176998017 PDYSUYWSHSRPNN-UHFFFAOYSA-N 410.492 1.624 30 10 HDEE C#CCN1CCN(S(=O)(=O)c2cc(Br)ccc2C(=O)OC)CC1 1211561353 PKWRFEZGRARCCN-UHFFFAOYSA-N 401.282 1.175 30 10 HDEE N#CCCN1CCN(C(=O)NCc2csc(CNC(=O)c3ccccc3)n2)CC1 1229811918 FGYYORVMIMTTCJ-UHFFFAOYSA-N 412.519 1.814 30 10 HDEE C=CCO[C@H]1CCN(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)C1 1251437316 LSMLDRPQPUGTRA-HOCLYGCPSA-N 408.499 1.193 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(CC)c2)CC1 1286651453 FGVSWLNRAAAQLS-AWEZNQCLSA-N 407.544 1.555 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1286728174 ONLIBMAOMPKFFC-HNNXBMFYSA-N 404.540 1.751 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCS(=O)CC1 1286784760 SMCPLBQBIGSMRI-UHFFFAOYSA-N 410.503 1.364 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CC2(S(C)(=O)=O)CC2)C1 1286805205 RCGPAAUSVFPQRU-OAHLLOKOSA-N 403.508 1.699 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCNS(C)(=O)=O 1288524526 DPSJDYAFVGGUIY-ZDUSSCGKSA-N 410.931 1.810 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(CCC#N)CCN1CCOCC1 1292291519 ZDJHADMLVQGIBE-QGZVFWFLSA-N 407.515 1.648 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1300307294 DJPWZBWKGFISMD-ZFWWWQNUSA-N 405.524 1.935 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC(=O)N(C)C)c1 1300333212 YLSIMJCSBUQMMR-UHFFFAOYSA-N 419.489 1.808 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1300403397 IWJWJVCSPDSRLL-GOSISDBHSA-N 410.526 1.674 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCNc1ccccn1)[C@H]1CCS(=O)(=O)C1 1300483296 JGLVXRLGCAPCBR-KRWDZBQOSA-N 416.551 1.925 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCS1)[C@@H]1CCS(=O)(=O)C1 1300492560 NNAQEQWACFDJLX-HZPDHXFCSA-N 420.564 1.201 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@H](C)CN1CCN(CC)CC1 1300526954 QXACQAAXRHDKAF-HXUWFJFHSA-N 405.550 1.687 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](c1ccco1)N(C)C 1300554005 XEQVJXALNHWJQA-NSHGMRRFSA-N 411.506 1.971 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCCN1CCOCC1 1300620822 GNYCPSAULAMBAA-UHFFFAOYSA-N 414.510 1.578 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2nccn2C(F)F)CC1 1300683188 MUFIOAIELVLFBG-OAHLLOKOSA-N 423.468 1.397 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@](C)(O)CC)CC1 1300690461 AXKCHHZFRKCONM-QFIPXVFZSA-N 411.506 1.633 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC(OC2CCCC2)CC1 1301491718 VZCVWMVZUYKNDO-UHFFFAOYSA-N 413.526 1.909 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC2CC2)C1 1301553497 MXXNPTMNWFDLAG-GOSISDBHSA-N 417.535 1.946 30 10 HDEE CC(C)OCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303542278 WJTFCMWZKMMPCG-MSOLQXFVSA-N 415.542 1.611 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1 1311830625 GYVRLDGWVBEGQC-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE CN(CCN1CC2(CCOCC2)C1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1312472713 ZGNDQFVLWIVLIF-IRXDYDNUSA-N 421.542 1.499 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)C1 1325256651 VWWKNYHCIZQJSX-OAHLLOKOSA-N 410.492 1.320 30 10 HDEE COC(=O)[C@@H](Sc1nnc(C[C@@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1330305627 FTQZYCXGDAWYHR-BBRMVZONSA-N 420.516 1.670 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)nn1 1347923827 GVLVQAZOPVTZCL-UHFFFAOYSA-N 405.480 1.900 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@]1(C)COCCO1 1358941013 VGZQDSUSJUYHJZ-QGZVFWFLSA-N 408.300 1.921 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCN1CCOC[C@@H]1C 1358948629 GWOLZTVRRAUNHM-SFHVURJKSA-N 424.553 1.242 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCCO2)n1 1359027867 YRPWLJAGWGIXQY-GOSISDBHSA-N 422.493 1.397 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359034147 FFSGZPUAOFCFKX-KRWDZBQOSA-N 405.506 1.535 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1C[C@H](OC)[C@H](OC)C1 1359077827 MEVLHTZTQKFCHS-MELADBBJSA-N 419.320 1.761 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C(C)=O)CC1 1359271479 VPCYXDJMVVUFKN-LJQANCHMSA-N 402.543 1.862 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1CC1CCS(=O)(=O)CC1 1359274050 YKURFXDGHLRMFE-UHFFFAOYSA-N 407.540 1.404 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CCNC(=O)OC(C)(C)C 1359280738 CHPCPDMCCXEHOE-UHFFFAOYSA-N 403.487 1.899 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC(NC(C)=O)CC1 1359301692 HYKPQUGGLKNBMY-UHFFFAOYSA-N 410.522 1.584 30 10 HDEE CC(C)Cc1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1359821517 MTNXWHZXILHQHQ-CILBIJLJSA-N 414.510 1.620 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCOC[C@@H]2C)CCOC1 1360347389 HLHCLUKZJTWMLS-LXGFNABISA-N 419.526 1.720 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1=O 1436868255 PLZKROLGLXMVPP-SFHVURJKSA-N 406.442 1.898 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1 1437444876 SIGUZOMYCAYMTP-OAHLLOKOSA-N 409.504 1.909 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](C[C@H]2COCCO2)C(F)(F)F)[C@@H](C#N)C1 1445370209 KUQBFTDBXRELFP-IHRRRGAJSA-N 421.416 1.942 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 1447564163 PSFCKPDASXRMBS-LBPRGKRZSA-N 410.517 1.914 30 10 HDEE CCOC(=O)[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@H](O)c1cccnc1 1454673979 SJWXJYAMTOVTKK-WOJBJXKFSA-N 413.478 1.523 30 10 HDEE CCNC(=O)c1cccc(NC(=O)Cn2cc(C#N)c(I)n2)c1 1459145579 XJELZXUZCKECOJ-UHFFFAOYSA-N 423.214 1.748 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@@H](C(=O)OC)c2cccc(C(F)(F)F)c2)CC1 1459886513 MMQWBWKKGBYNMA-OAHLLOKOSA-N 419.425 1.005 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)Nc2ncc3c(c2C#N)COCC3)CC1 1461011926 CXDCVELTEQPPOP-UHFFFAOYSA-N 406.508 1.806 30 10 HDEE CN1CCc2cc(NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)ccc2C1=O 1461391098 FCBKXHUWLRFCDB-UHFFFAOYSA-N 412.471 1.759 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3ccc4c(=O)n(C)c(=O)n(C)c4c3)cc2C1=O 1462927712 VSLJNFVAPFPFSW-UHFFFAOYSA-N 418.409 1.272 30 10 HDEE C#CC[C@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1464178604 JSTACYWLBMPEOA-OAHLLOKOSA-N 400.522 1.178 30 10 HDEE C[C@@](C#N)(NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1 1465226073 UWGDOIVCAPMRJU-AEFFLSMTSA-N 413.927 1.958 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1F 1470618107 CVHKWLGWAWAIFT-UHFFFAOYSA-N 415.446 1.997 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](OC)C[C@]3(C)C(=O)OC)n[nH]2)c1C 1471029666 HWKGWFSMKYRNBT-VBKZILBWSA-N 401.467 1.869 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2nc(-c3ccccc3F)oc2C)CC1 1471450835 JXWNLWYHHHKWFQ-UHFFFAOYSA-N 406.439 1.015 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 1472159941 UFYOSRFYFOAMKX-XJKSGUPXSA-N 409.508 1.818 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cc(Br)c(F)cc2OC)CC1 1474881883 RRPKSXSKEXGIGJ-UHFFFAOYSA-N 405.289 1.926 30 10 HDEE CO[C@H](CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C)C1CCCCC1 1475099637 GTTIWYXAGRMPHD-CRAIPNDOSA-N 407.540 1.784 30 10 HDEE CO[C@@H](CS(=O)(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)C1CCCCC1 1475099640 GTTIWYXAGRMPHD-YJBOKZPZSA-N 407.540 1.784 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@@H]2CCOC2)CC(=O)N1C 1494236969 VUDHYVFTJFYSKX-VQIMIIECSA-N 424.505 1.679 30 10 HDEE CN(Cc1ccccn1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503491316 ONKBVYSVBSMSGT-ZJYNUGOYSA-N 423.477 1.340 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc(C)n2)n1CC[C@H]1COCCO1 1504886554 KMEBNKIMENQVHC-KRWDZBQOSA-N 400.483 1.821 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1507632939 BPFGRJZFVNTWFE-UWJYYQICSA-N 414.531 1.301 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1COCCO1 1507701040 XPMXBKKREKKJEE-SFHVURJKSA-N 415.469 1.611 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC[C@H](O)C1 1507702013 DQWNDZOCQUIHGX-IRXDYDNUSA-N 412.494 1.563 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(C)CN(C)C1=O 1507704719 JABRQLFQBPXMNS-LJQANCHMSA-N 402.886 1.558 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CCCC(=O)NC2CC2)CC1 1507731482 JSEWJPRALOQBQC-GOSISDBHSA-N 400.527 1.334 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCC(=O)NC(C)C)CC1 1507739925 WBQVVDHGVDGFQY-UHFFFAOYSA-N 414.554 1.816 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(OCC2CC2)CC1 1508084150 ISYYVXGPAKJGPU-UHFFFAOYSA-N 410.522 1.962 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)CCO1 1512496394 FDFUHZSMRKIHIN-IIBYNOLFSA-N 412.494 1.020 30 10 HDEE CCN1CC[C@H](Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)C1 1515849093 KCHILECHPLTJQK-WAOWUJCRSA-N 418.542 1.389 30 10 HDEE C=CCCn1cc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)nn1 1525174520 YLLHDGSURJHRMM-KRWDZBQOSA-N 415.469 1.441 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2nsnc2c1 1538974604 UFKIOTKBYOYNDY-NEPJUHHUSA-N 419.536 1.399 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1csc(COC)n1 1539233015 XPXAILWRAVWNOV-UHFFFAOYSA-N 421.486 1.649 30 10 HDEE CC(C)(C)[C@H](C#N)NC(=O)c1ccc(I)cc1-n1cnnn1 1539355667 VXIPFKCBNCQYET-LBPRGKRZSA-N 410.219 1.935 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)N3CCN([C@@H](C#N)c4ccc(F)cc4)CC3)cnc21 1539386721 RDOOIAAKCCRJCH-SFHVURJKSA-N 408.437 1.632 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1539642059 OVHGGKJGGPOVCP-JTJHWIPRSA-N 419.570 1.953 30 10 HDEE C=CCCCn1c(N2CCN(c3cnn(C)c3)CC2)nnc1[C@]1(OCC)CCOC1 1540022001 YLGMSTPTTNIXOI-NRFANRHFSA-N 415.542 1.957 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cn2ccccc2n1 1540047566 KFDVTDLEGBKKCR-AWEZNQCLSA-N 403.512 1.401 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccc3OC)n2CCS(C)(=O)=O)C1 1540894409 XKBFDVYLAADUKR-QGZVFWFLSA-N 420.535 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1540900664 DDYBPDJMVXNDLK-IAGOWNOFSA-N 417.535 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1540903489 FIUZPKLWFHMHQN-HZPDHXFCSA-N 409.556 1.325 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1554234401 UPVKZQGLJFTOEY-UFOSLELVSA-N 400.483 1.545 30 10 HDEE CN1CC[C@@](O)(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C#N)CC2)C1 1554356623 QCPGBEOSCGNLOA-IBGZPJMESA-N 401.902 1.800 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C 1554381574 DBBOAGWATCDGGM-GFCCVEGCSA-N 410.507 1.843 30 10 HDEE COCC[C@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555424793 SSFPRAYMUHZZNW-NRFANRHFSA-N 411.510 1.536 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@H](c3cccc(C#N)c3)C2)[C@H]1c1ccnn1C 1556071936 XFPHTQHFBSZODL-TYPHKJRUSA-N 423.473 1.180 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N(C)CCOCc3ccc(C#N)cc3)cc2=O)n1 1556855539 HPLCEQNBIUQIDP-UHFFFAOYSA-N 406.446 1.733 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@@H]2C1 1558616271 HVPQZQCTBLQLEA-SRABZTEZSA-N 405.476 1.196 30 10 HDEE N#Cc1cn(CCO)c(=O)n(Cc2ncc(-c3cccc(Br)c3)o2)c1=O 1559441088 VGMZLKSJFPFDQV-UHFFFAOYSA-N 417.219 1.340 30 10 HDEE C#C[C@@H](NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N)C1CCOCC1 1565106137 PKDVLCIPOSCGHK-LJQANCHMSA-N 406.490 1.986 30 10 HDEE C[C@H](NC(=O)N(C)C[C@H](O)c1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1565417036 PIFVIUOBMOSHOE-UGSOOPFHSA-N 402.476 1.642 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)CC1 1568995168 LXVIUNBBUFTLDR-HXUWFJFHSA-N 412.446 1.067 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)C(=O)OC 1570220754 AOPIINJKBKZTLY-KRWDZBQOSA-N 420.512 1.564 30 10 HDEE N#C[C@@]12CN(C(=O)C(=O)c3ccc(Br)s3)C[C@H]1CS(=O)(=O)C2 1585138540 IZRHHYKXMQMEKD-SDBXPKJASA-N 403.279 1.090 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H](c3cccc(Cl)c3)OCC2(C)C)C1=O 1586367103 UBSMRBJTRRHTSS-HNNXBMFYSA-N 419.865 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ncn(-c2ccccc2)n1 1587550753 QVJKPDIWQDTFIY-INIZCTEOSA-N 404.478 1.601 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(C)CN(C)C1=O 1587581272 ZDXGBJBRZNZSRO-VLIAUNLRSA-N 415.519 1.285 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1587893776 HZXAXWGBRMGHGT-XLIONFOSSA-N 424.567 1.746 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccccc2F)n1CC1(C(N)=O)CCOCC1 1587915517 MQHJZCPUJFFNIP-OAHLLOKOSA-N 415.469 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)C1CC1 1588629098 XNHUCJGYKAHUGR-HXUWFJFHSA-N 401.467 1.253 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnc(C)s2)CC1 1588750812 FYBFDFBCOIWAFZ-FQEVSTJZSA-N 416.551 1.499 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCOCC(F)F)CC1 1588849012 VDGIDTJBXWQYHU-UHFFFAOYSA-N 404.465 1.691 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CC(=O)NCC(F)F)CC1 1588930320 SMTKBUGOZSNSNO-UHFFFAOYSA-N 424.496 1.214 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1593624881 CKSIEMYYUBLKCP-MJGOQNOKSA-N 423.521 1.154 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(O)(C(F)(F)F)CC1 1593741425 OTNXFXLAFHLSTH-CYBMUJFWSA-N 417.432 1.716 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN(C(C)=O)C1 1595228381 AKPAONQTKQKJFI-SFHVURJKSA-N 400.527 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@@H](C(N)=O)C1 1595506891 PFUOFEIABUDMQK-LLVKDONJSA-N 423.304 1.866 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1595577357 QHFQFZBMENAUMY-SFHVURJKSA-N 417.470 1.014 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1595737476 BNAAZHXFFWUGGR-ROUUACIJSA-N 417.535 1.480 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](COCC)C1 1595784520 HYMKNNKGRFAWFW-INIZCTEOSA-N 422.555 1.532 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@H](C)[C@@H]1C 1595789176 ONQZSKXMRHOCCM-UONOGXRCSA-N 410.569 1.610 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](COC)C1 1595824158 XLPBFVOLHBWZIA-QGZVFWFLSA-N 412.556 1.463 30 10 HDEE CC(C)C(=O)Nc1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1618171561 CBWGSOFKUFPDSF-KPZWWZAWSA-N 409.895 1.945 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1618435796 CVNKLICHPAGWDB-INIZCTEOSA-N 402.524 1.848 30 10 HDEE CN(CC(=O)NCc1ccc(S(C)(=O)=O)cc1)C[C@@H](O)c1cccc(C#N)c1 1619904461 GNEKKQTUTDQQMA-LJQANCHMSA-N 401.488 1.243 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1C[C@H]2CC[C@H]1C2 1619912451 DDHQCUWTGGELFK-XSLAGTTESA-N 421.567 1.983 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc4ccccc4n3)n2CCOCCCO)CCO1 1620355552 VQCWPZUDZSYIFU-QGZVFWFLSA-N 408.462 1.621 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CCN(CC(F)(F)F)C2)CCO1 1620356729 HBIKXSGAFBGHAC-QLFBSQMISA-N 414.432 1.743 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N(C)C[C@@H](O)c3cccc(C#N)c3)C2=O)cc1 1628663122 XGMBGLUKVDLKAB-XXBNENTESA-N 420.469 1.826 30 10 HDEE COCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C#N)CC1 1629068631 JOJVIHQOAOJDBZ-INIZCTEOSA-N 403.483 1.532 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1 1629727689 UMUAZFURJCAJPG-AEFFLSMTSA-N 401.488 1.867 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@H](CC(F)(F)F)C3)C2=O)cc1 1630093873 FPISJDAXBWRYSI-GJZGRUSLSA-N 424.379 1.943 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)[C@@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 1631336253 SCSRYGINQNMWEK-IEBWSBKVSA-N 406.490 1.772 30 10 HDEE N#C[C@]1(c2ccccn2)CCCN(C(=O)C2(O)CN(C(=O)OCc3ccccc3)C2)C1 1631964035 GRSSNPLWTQHOPB-JOCHJYFZSA-N 420.469 1.849 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1633559148 IGAYAMMJUBSDPB-IBGZPJMESA-N 418.515 1.419 30 10 HDEE Cc1c(C(=O)NCc2ccc(C(=O)NO)cc2)nnn1Cc1ccc(F)cc1F 1634104931 RMKWJLNCHROCGO-UHFFFAOYSA-N 401.373 1.962 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)C1 1638967575 BXXSXMJMWYATQR-SFHVURJKSA-N 419.279 1.397 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCn1ccnc1)Cc1cnn(C)c1 1640390931 AZLFFOKZSKTMEK-GOSISDBHSA-N 414.510 1.952 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)cc1 1641293553 WDSWJSUIKOZVGH-GOSISDBHSA-N 419.547 1.314 30 10 HDEE C=CCN(C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)[C@@H](C)COC 1641334427 IJIUOOKDDNMYDE-LSDHHAIUSA-N 404.529 1.460 30 10 HDEE Cc1[nH]c(-c2ccncc2)nc(=O)c1CC(=O)N1CC(Nc2cccc(C#N)c2)C1 1641584815 YSXQNCMSAOQJBR-UHFFFAOYSA-N 400.442 1.877 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2occ(C(F)(F)F)c2C(=O)OCC)CC1 1642589771 WWXRASKYVHKPOY-UHFFFAOYSA-N 423.413 1.060 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CNC(=O)c1ccccc1I 1642761199 JAXQJADBXTZWHC-LBPRGKRZSA-N 414.243 1.566 30 10 HDEE CCOC(=O)C(CC)(CC)CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1 1643096176 IEWWUWJUQUWAFU-CQSZACIVSA-N 409.508 1.711 30 10 HDEE C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1644034020 LEKLTZBORTUQMZ-OAHLLOKOSA-N 421.372 1.406 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1644296442 PJAPJWGODUADTH-SNVBAGLBSA-N 410.386 1.666 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N(CC(N)=O)C3CCOCC3)C2)C1 1644586016 XPYUANZVKFJPDR-FAGJFJLWSA-N 420.510 1.266 30 10 HDEE C#CCN(C(=O)c1ccc(-c2nn[nH]n2)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1644790152 RSJVRQOIXLURCV-UHFFFAOYSA-N 411.466 1.737 30 10 HDEE CC[C@](O)(CCC(F)(F)F)CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1645754691 XOPBWHYUKJWALU-HNNXBMFYSA-N 407.414 1.436 30 10 HDEE C[S@](=N)(=O)N1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC1 1648250246 KHEMTRGAERNZBX-HHHXNRCGSA-N 402.442 1.382 30 10 HDEE CO[C@@H](CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCCC1 1655204312 ARGNLBCAFCMNAZ-MOPGFXCFSA-N 405.520 1.784 30 10 HDEE CS(=O)(=O)C[C@@H]1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1664086506 AIRHNFFZEUWJTD-SNVBAGLBSA-N 407.311 1.376 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NC3CCN(CCS(C)(=O)=O)CC3)cc21 1674679167 DEJIKTTWSFOERL-UHFFFAOYSA-N 405.524 1.853 30 10 HDEE CC(C)N1C[C@H](NC(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)CC1=O 1684782146 FZYIXAWFHTZAKN-GOSISDBHSA-N 421.505 1.789 30 10 HDEE C#C[C@H]1COCCN1C(=O)NCc1cccnc1Oc1cccc(S(C)(=O)=O)c1 1684832891 LRLWTNANNTUNEO-INIZCTEOSA-N 415.471 1.821 30 10 HDEE C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1686773545 NPVXZLPFCUKQGM-IAMHBRQHSA-N 418.494 1.828 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)NCc3ccc(C#N)s3)CC2)cc1 1686841962 XOXIWBXZRUOLJO-UHFFFAOYSA-N 419.532 1.560 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1C[C@]1(N2CCOCC2)CCSC1 1689847291 WSOUTERISQPJLF-OXJNMPFZSA-N 415.567 1.344 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1689953871 CIDYYTMKWWAXMR-OAHLLOKOSA-N 407.482 1.295 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1ccccc1F)[C@@H]1CCS(=O)(=O)C1 1689980354 QDYBAMYKAFXTNB-GDBMZVCRSA-N 406.483 1.820 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1690051124 NGUBOIMERMHLBP-UHFFFAOYSA-N 413.522 1.987 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1COc2ccccc2O1 1690058882 CURCZVXYGIFDKW-LSDHHAIUSA-N 419.507 1.188 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@@H]1C 1690059405 PLNCACGRJRCDOA-DLBZAZTESA-N 410.588 1.612 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCNC(=O)c1ccc(C)cc1 1690104029 KRJMXIIPJDOUMX-LJQANCHMSA-N 411.506 1.606 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2Cc2nncn2CC)CC1 1690119829 UMPPGBPQKWHYQB-UHFFFAOYSA-N 406.494 1.369 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H]2CCCN2CC)CC1 1690129298 UJWRARLJZJTVBX-LJQANCHMSA-N 413.595 1.873 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1690174258 AVNCLLQQRGRXFG-UHFFFAOYSA-N 413.613 1.705 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCS(=O)(=O)NC 1690577744 MAICUFOIHLTIBU-CQSZACIVSA-N 424.552 1.033 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1690675063 OPZSMBYAFKAFJF-ZWKOTPCHSA-N 408.506 1.080 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C)[C@@H](O)C1 1690677238 SAGPJKOSUWHKDY-CVEARBPZSA-N 415.494 1.375 30 10 HDEE CC(C)COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1692455779 OVHUIICUKWEHDK-QAPCUYQASA-N 413.519 1.685 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1696021657 CHCXKGHGRXFHTG-DNVCBOLYSA-N 406.487 1.368 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)C1=O 1696886952 XFSWTZLNGSABIG-AOMKIAJQSA-N 421.505 1.387 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C)n(C)c1=O 1698138603 VMUBEBQZQJYJRT-INIZCTEOSA-N 414.510 1.798 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(F)cc2)n1CCCN1CCC(O)CC1 1705557746 WQQYYZUTVURTFK-UHFFFAOYSA-N 401.486 1.912 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(C)(C)CN(C)C 1705574744 MDVWHAYREAXIBA-JOCHJYFZSA-N 401.555 1.979 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)nc1 1705621272 AXOCXAGTRSIXDZ-UHFFFAOYSA-N 405.462 1.763 30 10 HDEE C=C(Br)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C(N)=O)C1 1705689465 NGAHSEMLMHXFCS-NSHDSACASA-N 411.329 1.854 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1705725777 QIRSAWRVPCXLKS-KXBFYZLASA-N 420.539 1.242 30 10 HDEE Cc1nccn1CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1707792014 WUSBMIVLDVAGDW-QGZVFWFLSA-N 408.422 1.787 30 10 HDEE CN(CC1CC1)c1nnc(Cc2ccncc2)n1CCN/C(O)=C1/N=CC=CC1=O 1711133597 BTSNCPCGLWLMKG-VXPUYCOJSA-N 407.478 1.637 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1722292686 ALAJJJZFOXGQOY-DOTOQJQBSA-N 417.535 1.869 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1722345130 AZLZIOZUUVWKHK-UHFFFAOYSA-N 416.551 1.361 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1722362014 QVXGBCXCNJOBMM-KRWDZBQOSA-N 415.519 1.272 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCc2ccccc21 1722385798 OZLLIJNCGGQLFP-IBGZPJMESA-N 416.529 1.925 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](COC)OC)CC1 1722438774 BKXQUHRRPBWUON-GOSISDBHSA-N 401.486 1.425 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CC2(OCC)CCCC2)CC1 1722440159 DYVRWRXJKMDQNN-UHFFFAOYSA-N 414.554 1.505 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c(C)noc2C)CC1 1722574001 FMAFUAVOUCYWBY-CYBMUJFWSA-N 408.528 1.944 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C(F)(F)F)C1 1722689756 YVOOJOBGHXAPIB-STQMWFEESA-N 421.420 1.072 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(O)cc2)CC1 1722698884 OHQRFGBZDMYFRE-MRXNPFEDSA-N 412.494 1.116 30 10 HDEE CC1(C)[C@@H]2CN(c3nnc(COc4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@H]21 1724017274 FSMQHALRMYGZBB-IAGOWNOFSA-N 415.519 1.866 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCSC1)[C@H]1CCOC1 1729369828 PSKIXZGJTVMMGS-JXFKEZNVSA-N 415.519 1.822 30 10 HDEE COC[C@H](F)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1730480659 NJQRWQRRVKPPQO-LSDHHAIUSA-N 402.478 1.763 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740532070 XKBIHESOFSIPHJ-IRXDYDNUSA-N 408.506 1.927 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C)C(=O)C1 1740789729 JKNDNUJHYPHALE-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN2CCN(C)C(C)(C)C2)CC1 1740838452 PSYSMMIJUVYIEI-GOSISDBHSA-N 415.586 1.658 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCn1cc(CO)nn1 1742388360 FZURIHJCBTXTBL-HXUWFJFHSA-N 410.457 1.870 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(=O)NCc1ccccc1 1742806100 LKTCSJBLBJPJTM-UHFFFAOYSA-N 417.473 1.828 30 10 HDEE CCOCCC1(Cn2c(C(=O)N3CCCC3)nnc2N2CCO[C@H](C#N)C2)CC1 1747288689 NPWSHQPGDHQDTE-MRXNPFEDSA-N 402.499 1.450 30 10 HDEE CCS(=O)(=O)N(C)C1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1747423222 JAKXOYZTXXYPTB-UHFFFAOYSA-N 418.523 1.919 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1748000173 JEDPRKXWJIXECB-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1748747421 HQXNQEWITVDDMG-OLZOCXBDSA-N 412.416 1.147 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCc1cnn(C)c1 1748776822 RBIDLGCSHFKDQJ-UHFFFAOYSA-N 412.519 1.784 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCc2ccccc2)n1CCCNS(C)(=O)=O 1749072088 FDXOBIUVMNMDHK-OAQYLSRUSA-N 415.563 1.995 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1749120261 COEGIFLGRDEMPU-HKBOAZHASA-N 424.549 1.916 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC(N)=O)c2)CC1 1749297445 GCARPRZOXONVIF-KRWDZBQOSA-N 410.478 1.298 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749390112 AHLYNDDISINESQ-GJZGRUSLSA-N 412.560 1.302 30 10 HDEE C=CCCCn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1749440311 XFCCJANGYWDDJD-LAUBAEHRSA-N 418.542 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)C 1749658266 MGRJMUSCUUIHSE-UHFFFAOYSA-N 409.498 1.705 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1749671167 ZQTLYUQQRYEROR-GJZGRUSLSA-N 406.487 1.099 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](COC)OC 1760200861 VGYKMVGAZVBHSL-FQEVSTJZSA-N 404.474 1.865 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1760254345 VEZMQNQCCJXPPQ-UHFFFAOYSA-N 404.522 1.960 30 10 HDEE C#CCSCCn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1760282961 XKWSLAQITWFXGF-KRWDZBQOSA-N 414.510 1.588 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1760368465 CMPZJWUKKOARER-ZDUSSCGKSA-N 423.926 1.768 30 10 HDEE C=C(Cl)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760371758 LIJJYIFLZBGLSJ-UHFFFAOYSA-N 415.885 1.020 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](c2ccnn2C)C1 1760432704 LXZYQSRDZHPEOU-JKSUJKDBSA-N 421.571 1.972 30 10 HDEE C=CCN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCNS(C)(=O)=O)C1CC1 1760469974 SHCYWPNJSNZCGQ-UHFFFAOYSA-N 406.468 1.557 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(-c2cnccn2)n1C[C@]1(O)CCOC1 1760479583 UGQGFNXEMSTSPE-JOCHJYFZSA-N 417.473 1.951 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnn(C)c1C 1760526469 AKUNQLYHTLPNKO-UHFFFAOYSA-N 411.514 1.120 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760542402 LXQCSSALNFPUTG-ZACQAIPSSA-N 410.540 1.531 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCC2(C1)OCCO2 1760698834 QGTUZICZIGKJDV-HOTGVXAUSA-N 402.499 1.540 30 10 HDEE C[C@H]1C[C@@H]1n1c(-c2ccc(C#N)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1762767013 GZGAUNHQAYOZFL-ZQIUZPCESA-N 400.508 1.868 30 10 HDEE CC/C=C/Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1765342776 OIFBWGIJCSSPKC-REMYHPOOSA-N 406.494 1.789 30 10 HDEE CN(C)S(=O)(=O)c1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C2CC2)c1 1766940039 FRMZQBQJXAZXBX-OAHLLOKOSA-N 402.480 1.259 30 10 HDEE COC[C@@H](Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1769248581 KWRYHICGSKJIPJ-GOSISDBHSA-N 411.510 1.800 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccnc2)n1CC(C)(C)N1CCOCC1 1771111281 FQEMTHFPSPFGKU-UHFFFAOYSA-N 413.526 1.817 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCN(c3ncccc3C#N)CC2)c1C 1849607953 XAMQKAJYHCFNNB-UHFFFAOYSA-N 403.446 1.813 30 10 HDEE Cc1cc(C(F)(F)F)c(C#N)c(C(=O)N2CCN(CCn3ncccc3=O)CC2)n1 1852721162 DPIYQNFNAXTXHT-UHFFFAOYSA-N 420.395 1.295 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)C1CCN(c2ccc(Cl)nn2)CC1 1853016895 IVITUPVIWAIYEW-UHFFFAOYSA-N 405.867 1.612 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)c2nccnc2N2CCOCC2)c1 1853061112 AAYXYXSWEHVWEB-UHFFFAOYSA-N 405.418 1.631 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)COc3cccc4c3OC(C)(C)C4)C(=O)C2)C1 1853693870 AMUVQVCDBHHFGF-SFHVURJKSA-N 413.518 1.710 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC4(CC3)CC4(F)F)CCC2=O)CC1=O 1853710835 WBKZQKJOCUEBBZ-CVEARBPZSA-N 409.477 1.907 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)C(=O)C2)C1 1853716481 VUIKSCBWQXAOQI-OALUTQOASA-N 410.518 1.279 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2C[C@H](CN3CCC(C#N)CC3)CCC2=O)cc1 1853790142 UYZWMZPBJORQMJ-SFHVURJKSA-N 417.531 1.770 30 10 HDEE CCc1ocnc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854202851 SEBLGMZJLDISCV-GOSISDBHSA-N 407.474 1.668 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCCN(C(=O)c3conc3C3CC3)C2=O)C1 1854335783 JYSUQJGPDFVIMI-QGZVFWFLSA-N 407.430 1.713 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc(F)c(Cl)c2)C(=O)C12CCCC2 1854396892 YBXSZUNECQLBFI-UHFFFAOYSA-N 413.858 1.930 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCCN(C(=O)C4CC(=O)C4)C3=O)CC2)c1 1854398809 AOYCLUHVIQIQRF-IBGZPJMESA-N 410.474 1.541 30 10 HDEE CCC[C@@H](F)C(=O)N1CCCC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1854885351 WOFWHANZYIVORY-NVXWUHKLSA-N 402.474 1.515 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(S(=O)(=O)C(C)C)c3ccccc32)CC1=O 1855141095 CWSBECRXMLXMBD-OAHLLOKOSA-N 419.503 1.529 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CSc3ncc(C)c(=O)n3C2)C1 1855227352 GUENNRWEVCNNSO-IRXDYDNUSA-N 416.547 1.713 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CC(F)(F)OC(F)(F)C3)C2=O)CC1=O 1855739633 AMUPDBXVHBKAHA-NEPJUHHUSA-N 407.364 1.056 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCCC2 1856288575 ZPUDVRBQSTWQFN-HNNXBMFYSA-N 402.520 1.525 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3COCCO3)C(=O)C23CCCCC3)c(F)c1 1856600229 KGNIUTXHPFZNAD-LJQANCHMSA-N 415.465 1.986 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(C)on3)C3(CCCC3)C2=O)CC1=O 1857122818 YYNPTQHEPSALSK-MRXNPFEDSA-N 400.479 1.501 30 10 HDEE N#Cc1ccccc1NC(=O)c1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2ccccn12 1858242685 FSUXLEGLOPMQGV-AWEZNQCLSA-N 423.454 1.375 30 10 HDEE COCc1n[nH]c(=N[C@@H](CCOc2ccccc2)C(=O)N2CCC(C=O)CC2)s1 1860628458 CSTDLUYQPWSAHL-KRWDZBQOSA-N 418.519 1.794 30 10 HDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)c1ccc2c(c1)C(=O)N(C(C)C)C2=O 1861507274 DNUNIOZKNMYXDR-MRXNPFEDSA-N 403.504 1.845 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 1862558644 WKCCXLKFJDMYAB-GOSISDBHSA-N 424.413 1.891 30 10 HDEE CC(=O)NCCn1cc(OCC(=O)Nc2sc3c(c2C#N)CCC3)c(=O)cc1C 1870089462 OFKQLQXQDQUDKN-UHFFFAOYSA-N 414.487 1.732 30 10 HDEE CN(C)c1cccc(-n2nnc(C#N)c2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 1870097891 CCNSSJNDJLECNP-UHFFFAOYSA-N 413.419 1.914 30 10 HDEE C#CCOc1cn(CCCCCCO)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870562840 YITHMFFMEFYYNV-UHFFFAOYSA-N 419.522 1.687 30 10 HDEE CN1C(=O)[C@@H](NC(=O)N[C@]2(C#N)CCOC2)N=C(c2ccccc2F)c2ccccc21 1887622370 IDKVBBNNXGSKKL-KNQAVFIVSA-N 421.432 1.947 30 10 HDEE C=C(Br)CS(=O)(=O)NC1(CO)CCN(C(=O)OC(C)(C)C)CC1 1988632228 OYJFHVMAWZIYMZ-UHFFFAOYSA-N 413.334 1.576 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](Oc2cc(Br)cnc2C#N)(C(N)=O)C1 2078082916 QFQCCLCRQOJEAE-MRXNPFEDSA-N 411.256 1.959 30 10 HDEE CN(CC[S@](C)(=O)=NS(=O)(=O)c1cccnc1C#N)C(=O)OC(C)(C)C 2118165794 AKUMCQQHZFPKMG-VWLOTQADSA-N 402.498 1.607 30 10 HDEE C=CCN(CC(=O)NCCc1ccc(S(N)(=O)=O)s1)C(=O)OC(C)(C)C 2124707126 ASEOBCYNJFCVND-UHFFFAOYSA-N 403.526 1.477 30 10 HDEE CN(CCN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)C(=O)OC(C)(C)C 2243384723 VGROYGYYALIIPN-UHFFFAOYSA-N 408.308 1.648 30 10 HDEE CC(C)(C)OC(=O)NC12COC(C(=O)NCCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2250000699 MDNCWXWOWORIKL-UHFFFAOYSA-N 420.315 1.954 30 10 HDEE C[C@H](O)[C@H]1CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267351761 DLABXDCYXQYKQR-GXSJLCMTSA-N 407.750 1.845 30 10 HDEE CS[C@H]1CNC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267717348 BRRXTUXFQKXSDV-RYUDHWBXSA-N 404.388 1.029 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2282021616 AVNXDVQFXCPIMH-UKRRQHHQSA-N 403.288 1.389 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC2(N)CCCCC2)OC1(C)C 2282341281 PWHQMVJNPAXPPQ-UHFFFAOYSA-N 400.375 1.987 30 10 HDEE C[C@H]1CCNC[C@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502856 QPKJJPDEIBSDFD-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CC(=O)NCCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282504056 JFNAORYUSZFRIQ-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE CC1([C@H]2CCCCN2C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)OCCO1 2282686632 VEISOADWRMCIOC-OAHLLOKOSA-N 403.288 1.534 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1CN 2282855433 DPYXGHIORKVIQU-OCCSQVGLSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N[C@@H]3CCCC4(C3)OCCO4)c2)OC1(C)C 2282864583 ICXVSUBHERLDFI-MRXNPFEDSA-N 423.340 1.950 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@]1(C)CO 2282870181 OAZJDZKLTPSVPV-SJKOYZFVSA-N 401.359 1.686 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877544 SPUUZCHETBOZKB-RUZDIDTESA-N 421.415 1.625 30 10 HDEE CC(C)(CC(=O)O)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2284399164 GYZFDWDFQKPERU-UHFFFAOYSA-N 404.319 1.115 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H](CC2CC2)C(=O)O)OC1(C)C 2284410036 QLJLDWUGRNWHAB-GFCCVEGCSA-N 401.315 1.579 30 10 HDEE C[C@H]1C[C@@]1(NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416588 ZVKZPQCBXKJNAO-QFYYESIMSA-N 401.315 1.330 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NS(=O)(=O)N2CC(C#N)C2)C(F)(F)CC1 2284505567 WTIQWHOJPNKMHA-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2289606005 ZHCUUBOLZPEYOL-KBPBESRZSA-N 405.517 1.850 30 10 HDEE COc1ccc2[nH]c(C(=O)O)c(C=Nn3c(S)nnc(CCC(=O)O)c3=O)c2c1 2321663815 YFTYARNGQCLTJO-UHFFFAOYSA-N 417.403 1.015 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc(OC)c1 2330710867 ZNWYDXUSOPXHJH-UHFFFAOYSA-N 418.523 1.766 30 10 HDEE CCc1csc(C#C[C@@H](NC)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)n1 2338561955 FXTVWLHVMSEKDB-ZIAGYGMSSA-N 401.554 1.583 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C1(O)CC(NC(=O)OCc2ccccc2)C1 2339668914 UPIYTVRYRIXANB-IDYZSHNDSA-N 422.547 1.611 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNS(=O)(=O)c2cc[nH]n2)OC1(C)C 2343819442 BGANKIVMFGVSAN-UHFFFAOYSA-N 403.722 1.902 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)cs2)OC1(C)C 2360621534 ZIWBUXMJXCVBDA-NSHDSACASA-N 401.230 1.853 30 10 HDEE COC1(C#C[C@H](N)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)CCCC1 2363598456 RMZRXWMPTYVTQI-HOTGVXAUSA-N 400.541 1.701 30 10 HDEE CCCN[C@H](C#CC1(OC)CCOCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2363644984 XCYHVDCKEIRRAZ-HXUWFJFHSA-N 416.518 1.937 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)C1(C)C 2365171998 RRKWLGLVMFZSGQ-IBGZPJMESA-N 401.525 1.923 30 10 HDEE COc1cc([C@@H]2C3=C(CCCC3=O)Nc3nc(SC)nn32)ccc1OCC(N)=O 20413323 SXASRVFTVZOMKW-QGZVFWFLSA-N 415.475 1.895 30 10 HDEE CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N(C)C)cc1)n1c(N)nnc1SCC#N 40173422 QNMQGPKUVMIBEK-ZDUSSCGKSA-N 423.524 1.316 30 10 HDEE N#Cc1nccnc1O[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)C1 238967843 ZDDXZEDMGYDNPH-AWEZNQCLSA-N 416.459 1.742 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)cc1C#N 427127319 VBENBXJNOFIAAE-UHFFFAOYSA-N 400.460 1.843 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)cc1C#N 427774007 AQYFSPXCHVOCPX-UHFFFAOYSA-N 415.519 1.689 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)o1 427996254 NMEIBGJORBMSHT-UHFFFAOYSA-N 403.416 1.069 30 10 HDEE CCN1CCN(c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)cc2)CC1 465256017 CWVNAECJWWBXKV-SFHVURJKSA-N 419.533 1.841 30 10 HDEE N#CCCn1ccc(NC(=O)C(=O)N2CCc3cccc(Br)c3C2)n1 465336291 ZSVWSOGRVCTEHL-UHFFFAOYSA-N 402.252 2.083 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCC(=O)[C@@H](C)C3)nnc12 473271357 SLSKZTWFAORELT-ZDUSSCGKSA-N 411.487 1.760 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cccc(N3CCOCC3)n2)c1 477422814 VSFOMYFEAJJILH-UHFFFAOYSA-N 416.503 1.313 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2ccc(C#N)cn2)CC1 480097322 PHKJHZGAVODGQV-MRXNPFEDSA-N 417.473 1.583 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(c3ccc(Br)cn3)CC2)cc1C#N 489114890 KAAFRWAQTGJICW-UHFFFAOYSA-N 422.308 1.930 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3COc4ccccc4O3)C2=O)cc1 504552972 FGPBVDSQWRLTER-SJORKVTESA-N 420.425 1.719 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 511507861 QTSVIUVRQWQCHN-UHFFFAOYSA-N 411.462 1.632 30 10 HDEE C[C@H](NC(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(C#N)cc1 524690148 FLTIYYMBRXISLE-JEDBISTDSA-N 417.531 1.845 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3COCC(=O)N3Cc3ccccc3)CC2)n1 546960641 WNLIMDBXPRCESY-IBGZPJMESA-N 405.458 1.029 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](C(=O)NC)C2)nnc1C(F)(F)Oc1ccccc1 549645591 WEASATKDPQHGKB-OAHLLOKOSA-N 407.421 1.934 30 10 HDEE C=C(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 555268899 JIFMKVHVDPOPID-UHFFFAOYSA-N 416.489 1.813 30 10 HDEE Cc1cc([C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)CCO2)ccc1F 578704270 XXZDPNOGFVUBAP-IBGZPJMESA-N 417.462 1.884 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCc1ccc(C#N)cc1F 586860057 RBMDKLIBQMNFAB-UHFFFAOYSA-N 407.449 1.776 30 10 HDEE N#Cc1cc([N+](=O)[O-])c(N2C[C@@H](O)CC(F)(F)C2)cc1N1C[C@H](O)CC(F)(F)C1 588029121 MWYLIKSVEIMWKR-NEPJUHHUSA-N 418.347 1.879 30 10 HDEE CN1C[C@@H]2[C@H](CCN2CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 590010440 ITEXTEQQQKXFAK-NVXWUHKLSA-N 410.478 1.091 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 619105268 MMUDXWYKOPWFEA-UHFFFAOYSA-N 404.879 1.729 30 10 HDEE C=CCc1cc(CNC(=O)N(C)CCN2CCCS2(=O)=O)cc(OC)c1OC 674622179 NCIUFUUDMRDFQS-UHFFFAOYSA-N 411.524 1.609 30 10 HDEE COc1nscc1S(=O)(=O)NCc1cnc(B2OC(C)(C)C(C)(C)O2)s1 714378892 WVMQMGCEVIDQCR-UHFFFAOYSA-N 417.343 1.386 30 10 HDEE N#C[C@H]1CN(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)CCN1C1CC1 732674797 SHYXEZHFZBDFMK-FQEVSTJZSA-N 400.502 1.329 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OCC)cc2C(N)=O)c1 737943309 GMROLPHGDVDCGA-UHFFFAOYSA-N 403.460 1.901 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 742078158 YLZFMAIVQRNTLN-RTBURBONSA-N 414.506 1.859 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)cc1 744007523 KYYBTYFLIROLEO-GOSISDBHSA-N 412.471 1.452 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)c2cnc(O)n(C)c2=O)nc1C 751532856 IOWIBDGDIYMUCQ-UHFFFAOYSA-N 405.465 1.236 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1 753882045 STBSRXAMKIQXQQ-UHFFFAOYSA-N 411.439 1.581 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1(C(=O)O)CCC1 767177188 DBWARHBPSPOKSO-CQSZACIVSA-N 407.492 1.511 30 10 HDEE CN1CCC(n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3cncs3)c2=O)CC1 767885554 URVRRRSCMOBENZ-UHFFFAOYSA-N 414.556 1.505 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NC3CCN(CC#N)CC3)C[C@H](C1)C2=O 767991845 TXHIOICSTXSHGA-MQVJKMGUSA-N 404.511 1.553 30 10 HDEE CCCCCCn1cc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c(O)nc1=O 769666958 IEHYHRXOBWHHPN-UHFFFAOYSA-N 420.491 1.888 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NS(=O)(=O)c3cn(CC)c(C)n3)cc2C1=O 770196311 BTTPIPGMQJVQOF-UHFFFAOYSA-N 402.432 1.112 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CC=C(c3ccc(Cl)nc3)CC2)c1=O 773259081 KMYKFJHSUHPZAJ-UHFFFAOYSA-N 415.881 1.339 30 10 HDEE CC(C)(C)OC(=O)N1CC(C#N)(OC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)C1 774229482 CEHZZPASIVLLNX-IPYPFGDCSA-N 424.523 1.768 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCOCC[C@@H]3C)nnc12 775598577 XFTWSBOVKNHTKX-AWEZNQCLSA-N 413.503 1.960 30 10 HDEE CCN(C(=O)[C@H](C)OC(=O)C1(c2ccc(C#N)cc2)CC1)[C@H]1CCS(=O)(=O)C1 781394077 DBVHKCYRZHHMJF-YOEHRIQHSA-N 404.488 1.557 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\[C@@H](C)c2cccs2)N(CCCn2ccnn2)C1=O 784125674 KYQFSCHNQGRBRS-POUSTFRKSA-N 406.537 1.927 30 10 HDEE COc1cc2c(cc1OC)CN(CC(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)CC2 786797142 HDHJUSAZBLAMCK-NRFANRHFSA-N 401.463 1.414 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CCC(Oc3cnccn3)CC2)C1 787312876 AZVSEQVZJCEOOZ-ZBFHGGJFSA-N 416.482 1.788 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3)[C@@H]2C)n1 798533662 QMTWWEMYDVLDMP-WIYYLYMNSA-N 423.517 1.864 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c1 801073533 FJGQFUFHNXUBBJ-IBGZPJMESA-N 420.469 1.586 30 10 HDEE Cc1ncc(CNC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)c(N)n1 808098911 XAVMOFIUQRIBFQ-UHFFFAOYSA-N 416.507 1.283 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2COCCOC2)cc1 813818068 NRYSBWUHCNXFKX-PYCFMQQDSA-N 424.523 1.817 30 10 HDEE CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1c(C)oc(-n2cccc2)c1C#N 921240399 FCYFUQXAAJVCGM-CQSZACIVSA-N 418.475 1.016 30 10 HDEE C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CCN/C(O)=C1/N=CC=CC1=O 1116067009 CTAIVYBRBVDPSZ-UNQMGURYSA-N 405.476 1.526 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)NCC[S@@](=O)CC(F)(F)F)cc1 1130874415 XYMOMJZAURMENJ-RUZDIDTESA-N 410.439 1.805 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@H](NC(N)=O)C(C)(C)C)n1 1136554081 GNUIHZVLMMEJFQ-NSHDSACASA-N 409.541 1.822 30 10 HDEE N#CCCN(C(=O)CNS(=O)(=O)c1cccc(F)c1)c1ccc2c(c1)OCCO2 1136611811 DIMMVVUJYMMZTJ-UHFFFAOYSA-N 419.434 1.822 30 10 HDEE COCCNC(=O)C1CCN(C(=O)CCCC(=O)Nc2ccccc2C#N)CC1 1141289072 PMPSGDQXJIWUIL-UHFFFAOYSA-N 400.479 1.668 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCCO2)c1 1158345148 DDJJCWSMJXXYFD-BMFZPTHFSA-N 414.911 1.871 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H](c2ccncc2)C2(CO)CCC2)cc1 1167925240 MGANHQZFTOHCEK-LJQANCHMSA-N 414.487 1.252 30 10 HDEE Cc1cc(C(=O)NCc2nnc3n2CCN(C)C3=O)c(C)n1-c1ccc(C#N)cc1 1176806415 PEELYHRFWKVJMC-UHFFFAOYSA-N 403.446 1.573 30 10 HDEE N#Cc1ccc(Br)cc1N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1187799620 TWHLBCWCMJLLMC-ULKWEWGCSA-N 412.309 1.944 30 10 HDEE C#CCN(C[C@@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1)[C@@H]1CCS(=O)(=O)C1 1191988093 WKWLWHNCSUQNTP-UWVAXJGDSA-N 412.552 1.525 30 10 HDEE C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1198326448 FYJASEAHZIHOFN-DKICVRJWSA-N 400.504 1.085 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)OC)cc1 1198691937 NOZIVSJEDQPNDP-INIZCTEOSA-N 404.467 1.428 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2C[C@@H](O)C[C@@H](C(=O)OC)C2)cc1 1199059401 SLBOEFUXRRNVKR-AEFFLSMTSA-N 401.463 1.889 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 1220488842 JGYSJENKMOJEHA-LJQANCHMSA-N 401.507 1.874 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)nn1 1230271894 MAJSRYKCGXRLJU-UHFFFAOYSA-N 401.446 1.069 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1254488135 GYZUAAMXYLQCEB-OKZBNKHCSA-N 400.479 1.552 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286296911 SUZYEBBKDCEOMW-ZWKOTPCHSA-N 415.563 1.917 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCC[C@@H](C)C1 1286350068 UJIGQYZADWBLRQ-IAGOWNOFSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)NC(C)C 1286404962 WDVWSKDPXWIDRP-UHFFFAOYSA-N 403.284 1.633 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)COC 1286462011 CGBKHWHITITTIF-UHFFFAOYSA-N 403.483 1.764 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCCN2CCCC2)CC1 1286469950 PKDCMFDXDUSMEW-UHFFFAOYSA-N 415.586 1.438 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1286497124 NFDCZRACCBZQEE-KRWDZBQOSA-N 404.584 1.476 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CC1(C(N)=O)CCOCC1 1286526420 SEQCZJOMZSRBMU-OXQOHEQNSA-N 401.511 1.794 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1286645701 GGCXNDUWTCENME-ZWKOTPCHSA-N 403.527 1.823 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(c2nc(C)no2)CC1 1286785467 LJBUOCRGSZBEGB-UHFFFAOYSA-N 408.466 1.718 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(-n2cncn2)c1 1286965170 HGXXWCJOEHNGAD-WMLDXEAASA-N 405.466 1.454 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2CCC(=O)N2)CCOC1 1288304991 JYLVFJGWUWMVFJ-UTKZUKDTSA-N 416.526 1.727 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CC#N)CC1 1288998194 AZULSGZNLCUTPM-MRXNPFEDSA-N 413.526 1.445 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC2CCCC2)nc1)c1cc[nH]n1 1291659404 FQEVLDQLBMMBOV-UHFFFAOYSA-N 415.450 1.726 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCc2ccc3c(c2)OC(F)(F)O3)CC1 1292889931 PXHNFWDOYSQTNU-UHFFFAOYSA-N 407.417 1.224 30 10 HDEE CCN(CC(C)C)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1295285225 LWBJYUYFPAKGAJ-DXQAYGFFSA-N 402.499 1.791 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cccn2C)n1Cc1ccc(C#N)o1 1295877193 HDKZORYIBABKCE-UHFFFAOYSA-N 402.480 1.667 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](C(C)C)[C@@H](C)NC(=O)OC(C)(C)C)CC1 1297517194 NIKMEQPKYJGSMN-SJLPKXTDSA-N 408.543 1.065 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCCNS(=O)(=O)CC 1300286141 DUDHECITQQMDGU-ZDUSSCGKSA-N 410.931 1.781 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCCC[C@@H]1CC 1300648644 HQQIVDGJUPLYJO-IBGZPJMESA-N 416.570 1.865 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2CC2)CC1 1300711365 AKPYJUBGHZYYIE-UHFFFAOYSA-N 407.478 1.301 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccco2)CC1 1300716031 HWXRJNWKEMTWJV-INIZCTEOSA-N 415.494 1.609 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccn2)n1CCS(=O)(=O)NC(C)C 1300799730 FHWWUBWWHHRZFT-LJQANCHMSA-N 402.524 1.660 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N(C)Cc1cnn(C)c1 1300890876 IKCXWRHRJFVAAA-PXNSSMCTSA-N 413.526 1.752 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C)o2)nnc1N1CCC(NS(C)(=O)=O)CC1 1300979682 DJQKSKHNHJNEFY-UHFFFAOYSA-N 423.539 1.957 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1301498402 NQSZGAGTZKNRBK-UHFFFAOYSA-N 412.542 1.130 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(c2ccccc2)CC1 1301499393 BRSXJZUBUCJCLF-SFHVURJKSA-N 410.522 1.801 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC([C@@H]2CCOC2)CC1 1301506014 FGGKVVYNENXMNE-GOSISDBHSA-N 410.522 1.819 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1301517730 BJAXNXGCJYHUEE-SFHVURJKSA-N 410.478 1.566 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@]2(N(C)C)CCSC2)C1 1301553565 OGPLZRMDTGDERK-XLIONFOSSA-N 417.583 1.897 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1cnn(CC)c1 1301588853 KSRJSZUYBNHVBR-QGZVFWFLSA-N 422.555 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC(F)(F)C2)nnc1[C@]1(OCC)CCOC1 1301596486 QHCOIKNFAPZIBI-INIZCTEOSA-N 420.482 1.376 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(OCCC)c(OCCC)c2)CC1 1302921494 HLUJDWBSJALZQE-UHFFFAOYSA-N 423.535 1.490 30 10 HDEE CC(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC#N)CC1 1303078079 BJCMNNAHJBHDJO-QGZVFWFLSA-N 424.571 1.787 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc2ccc(C#N)cc2c1C 1309079264 KMPAQKDGISJUCO-CQSZACIVSA-N 408.526 1.892 30 10 HDEE C#CCOCCN(C)S(=O)(=O)c1cc(Br)cc(C(=O)OCC)c1 1309964171 XJSZXXZPZQXGQI-UHFFFAOYSA-N 404.282 1.896 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCCN2CCCC2)C1 1316527499 MDDDCCCPIMMLOE-UZLBHIALSA-N 403.506 1.937 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCCCOCc2ccccc2)CCO1 1316537530 CMOMPPVERSNAEY-RTBURBONSA-N 424.505 1.955 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)CC1 1316538123 JFPIFNZWHXMQAR-IRXDYDNUSA-N 402.499 1.555 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(CC)c(S(=O)(=O)N3CCOCC3)c2)C1 1320033612 ICQQNNPXTNRVML-GOSISDBHSA-N 408.520 1.687 30 10 HDEE CN1CCC(N(Cc2ccco2)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 1327830540 DZKNUUAWEPQBPT-HNENSFHCSA-N 401.467 1.412 30 10 HDEE C#CCO[C@H](C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1348381387 RDDWERBBQXZDDP-MRXNPFEDSA-N 423.535 1.896 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCN(C(=O)CC3(C#N)CCOCC3)CC2)cc1 1357358438 WPUHZHWRRXVRKP-UHFFFAOYSA-N 421.519 1.629 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 1358890662 SSIANESGYSLNSJ-OKZBNKHCSA-N 407.584 1.759 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC2(CC1)COC(=O)N2 1358903537 ATWMDUSBJDVXRH-UHFFFAOYSA-N 423.477 1.808 30 10 HDEE C#CCCCn1c(N(CC)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1358935421 IGVSEDMMKSWQGO-QFBILLFUSA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(C)(C)O)c1 1358949251 WTWNLHMDIZJOJW-INIZCTEOSA-N 402.520 1.525 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCN(CC)CCC)[C@@H]1CCS(=O)(=O)C1 1358955865 VDUTWNRRAUKFOK-QGZVFWFLSA-N 409.600 1.934 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1359122113 YYOGJSQPCOSPCO-HOTGVXAUSA-N 407.540 1.348 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1359228746 NARVEKHYHKSYRS-MOPGFXCFSA-N 410.522 1.819 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(OCC(=O)OC)cc2)s1 1441352933 SMLIOKVLSCWEOO-UHFFFAOYSA-N 424.500 1.945 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)CC1 1445687125 IYIBTQKOYQXPBK-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)[C@@H]2CCC[C@@H](OC)C2)s1 1453280091 HCHYLLGZOLPZSG-IIAWOOMASA-N 416.565 1.437 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCCN3CCCS3(=O)=O)n[nH]2)c1C 1454530246 PSBRWJCEQPREGF-UHFFFAOYSA-N 406.512 1.231 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCN(C)CCN(C)CC2)nnc1-c1ccco1 1456266904 CXNDXRBQNWBGCT-UHFFFAOYSA-N 418.567 1.912 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC(CO)(C(F)(F)F)CC1 1456637152 ZKXIMNHVOSKGFZ-LBPRGKRZSA-N 419.425 1.388 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457203602 UZTIUPMMZRMAHV-SWLSCSKDSA-N 417.466 1.287 30 10 HDEE C[C@@]1(C#N)CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1460486784 HJTPGKWWHQZDPE-FQEVSTJZSA-N 404.536 1.713 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)Cn3nc4n(c3=O)CCCCC4)CC2)c1 1461243904 HZHJFLZHTYAJRC-UHFFFAOYSA-N 408.506 1.424 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1cc(F)ccc1Br 1462871937 IIUNAJJBMFBWTG-ZDUSSCGKSA-N 424.313 1.540 30 10 HDEE Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)no1 1463864294 UOQDQTUWWGAWDW-DAXSKMNVSA-N 400.410 1.487 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1464300347 JRJXVZUMHKOULH-UHFFFAOYSA-N 401.311 1.540 30 10 HDEE C=CCc1cc(CNC(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc(OC)c1OC 1468363619 UTYAMVPVHWECHL-DLBZAZTESA-N 421.494 1.681 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H](S(=O)(=O)N2CCc3ccccc32)C1 1470201994 VTSOMZROBLHDJT-SCTDSRPQSA-N 405.520 1.896 30 10 HDEE C=CC1(CC(=O)N2CC[C@@]3(CC(C(=O)OC)=NO3)C2)CN(C(=O)OC(C)(C)C)C1 1471262112 ZFJUQURRXOQLGH-HXUWFJFHSA-N 407.467 1.720 30 10 HDEE COC(=O)C1(C#N)CCN(S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)CC1 1475292465 BTHYFRUOISOAJY-ZDUSSCGKSA-N 405.476 1.452 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1 1492319826 FRCCPIGISGUVKM-INIZCTEOSA-N 422.493 1.973 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1505109996 GZMFOQZULJTAII-RDJZCZTQSA-N 401.492 1.477 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCCCCS(C)(=O)=O 1507544242 ZGAMUSCRDKMKJR-INIZCTEOSA-N 406.556 1.813 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1507632687 PBUPGWUVCASIJD-ZIAGYGMSSA-N 402.467 1.454 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1 1507840928 RBPYVWLHIUPTSQ-SFHVURJKSA-N 410.478 1.361 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 1507953186 DLWQBPKGKUKQNF-JKSUJKDBSA-N 413.544 1.050 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(CC(N)=O)CC1 1508072058 BIUDSHFPRCZBLG-UHFFFAOYSA-N 416.913 1.993 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1508139468 AGKSOPZKBVARCU-QGZVFWFLSA-N 420.539 1.248 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1508144107 BDTFNHDXTRPRIM-MRXNPFEDSA-N 407.544 1.510 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1CC=CCO1 1510191968 AJHUMDDOCHRWAH-DAYGRLMNSA-N 408.528 1.363 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@]2(CCO[C@@H]2C)O1 1512417529 AGMWTHZOURZBSC-MCFFVMPBSA-N 424.505 1.678 30 10 HDEE CNC(=O)C(C)(C)Cn1c(N2CCC(C#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1517443436 GTGCWNJBNSCWQW-OAQYLSRUSA-N 418.542 1.831 30 10 HDEE C[C@@H](C(=O)Nc1nn(C(C)(C)C)cc1C#N)N1CCN(C(=O)OC(C)(C)C)CC1=O 1524552026 MDTHPFYPHYSTMK-ZDUSSCGKSA-N 418.498 1.916 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)[C@@H]1CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C1)CC(=O)N2 1527645448 JGDXKABCGZLOIM-GFCCVEGCSA-N 423.360 1.944 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1539086238 ZGVWLXHFPOAOOJ-RTBURBONSA-N 416.570 1.970 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1coc(-c2ccccc2)n1 1539147857 DFXIBDJWUDOUAX-AWEZNQCLSA-N 414.491 1.661 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1539312561 UALHZKOVOZLKMT-XMMPIXPASA-N 416.529 1.966 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1539621287 QBLPXBCBDVKKCK-SQNIBIBYSA-N 411.572 1.676 30 10 HDEE C=C(Cl)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1539801687 GDQRSJPXTWKXFD-AWEZNQCLSA-N 418.933 1.905 30 10 HDEE C=CCCCn1c(COCC)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1540014775 VSONIWQPBUIESL-UHFFFAOYSA-N 404.559 1.915 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCCN1CC)C1CC1 1540095732 ULGHBKKRQAQVLN-DOTOQJQBSA-N 410.588 1.918 30 10 HDEE C=CCSCCn1c(N2C[C@@H]3CCC(=O)N[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1540922674 VPWPWLCLLRGSEF-TWOQFEAHSA-N 421.567 1.564 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)c1 1543139080 BHURTDDSWREHBO-UHFFFAOYSA-N 405.414 1.821 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c(C)nn(CCOC)c2C)s1 1545187055 UFQPGVGPPLKMGT-UHFFFAOYSA-N 412.537 1.853 30 10 HDEE CO[C@@H]1CN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1(C)C 1555174023 BAAKXTUQPCQGJE-CWFNNOHCSA-N 414.510 1.933 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(CCC#N)CC1 1557980229 BQVUCZSTHWOTLL-QGZVFWFLSA-N 410.565 1.144 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CCNS(=O)(=O)c3cccnc3)C2)nc1 1558465102 WXNFPXSAVLMNAA-MRXNPFEDSA-N 414.491 1.120 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)NCCO)cc2)s1 1567120681 WKEQVICACHNBCM-UHFFFAOYSA-N 423.516 1.116 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1587497036 WSHWRYPBMCQXKR-LJQANCHMSA-N 416.478 1.804 30 10 HDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1587783285 NPMYMMCVYLIHEK-GOSISDBHSA-N 408.506 1.917 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1588075075 WWPORKCXYVCCJT-XMTFNYHQSA-N 424.567 1.645 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc3ccc(OC)cc3c2C)CC1 1588198945 BURSHWYXEYYWDX-UHFFFAOYSA-N 407.517 1.444 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1Cc1ncn(C)n1 1588482685 VXWWLCZRKZWOAP-UHFFFAOYSA-N 405.441 1.634 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594720306 IOTQXYUDDSMSST-HNNXBMFYSA-N 400.462 1.451 30 10 HDEE C=CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1594857869 SBTOWYGEEQZCLV-LIRRHRJNSA-N 424.498 1.729 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1595804937 ITXHPJFMPXTXEB-AWEZNQCLSA-N 418.585 1.091 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCCOC3)n2Cc2ccc(C#N)o2)C1 1595993721 UZAOPJUMKNDMAF-IRXDYDNUSA-N 412.494 1.990 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCC(=O)NCC(=O)NCc3ccccc3)CC2)c1 1597510043 VBUWMKOUMQRUDQ-UHFFFAOYSA-N 408.433 1.278 30 10 HDEE CC[C@@](C)(O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1613086351 JPJLOYVEYJIMJE-DYESRHJHSA-N 411.510 1.536 30 10 HDEE COC[C@H](C)NC(=O)NC(=O)Cn1c(-c2ccc(Cl)s2)ccc(C#N)c1=O 1614569278 AMSMHICZMHNUNA-JTQLQIEISA-N 408.867 1.963 30 10 HDEE CC(C)(C)OC(=O)/C=C\c1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)co1 1617488387 YGBSTGSQDPQUED-GAHBAMCVSA-N 406.460 1.645 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@H]3CC34CCS(=O)(=O)CC4)c2C#N)C1 1618705439 FKZVHRZYOAJIQK-CQSZACIVSA-N 407.517 1.678 30 10 HDEE C=C(C)COCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1622717067 GNWDJOXIQQATHN-OWCLPIDISA-N 416.540 1.366 30 10 HDEE C=CCN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1627255823 OXJIKTPWKVDUIG-BVUBDWEXSA-N 413.440 1.739 30 10 HDEE COCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21 1633865177 ABKKKDBLPZZBMS-LZBKUMLDSA-N 414.506 1.900 30 10 HDEE CNC(=O)N[C@H]1CCCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1634458498 SMPXQBSTQDZJHA-HNNXBMFYSA-N 420.311 1.677 30 10 HDEE N#C[C@@H](NC(=O)CCn1cnc2c(N)ncnc21)c1cccc(Br)c1 1636402774 ZYZPMRPWYOVZFY-GFCCVEGCSA-N 400.240 1.942 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1636627275 JOUOOMVTJANOKB-HNNXBMFYSA-N 404.463 1.969 30 10 HDEE Cc1ccc(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)cc1B1OC(C)(C)C(C)(C)O1 1636855780 RMUCWRHNXGWALK-MRXNPFEDSA-N 424.310 1.799 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccnn1C 1639736335 LJYRWSPPYWKDTL-SFHVURJKSA-N 400.435 1.878 30 10 HDEE Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1640636773 OKWJQXVMCCJTLU-UHFFFAOYSA-N 408.393 1.459 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N[C@@H]1CCCC[C@H]1NS(C)(=O)=O 1640726539 ZTQQMZOVQQVAAS-KFWWJZLASA-N 416.544 1.550 30 10 HDEE C#C[C@@H](NC(=O)c1cc(C2CC2)nc2c1c(O)nc(=O)n2CCC)C1CCOCC1 1640925678 OGRNYJOKXNSHAF-MRXNPFEDSA-N 410.474 1.943 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)B(O)OC(C)(C)C3)cc1 1642024367 XHTQPFZBLIJJHJ-UHFFFAOYSA-N 414.292 1.442 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@]3(CC(C(=O)OC)=NO3)C2)CCCN1C(=O)OC(C)(C)C 1642969788 JIALEIMNQKCHKS-SFTDATJTSA-N 419.478 1.700 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)CN3C(=O)c4ccccc4S3(=O)=O)cn2)cc1 1643072310 UGMFNZRSEVWDTH-UHFFFAOYSA-N 421.438 1.586 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1643561917 BUSZDKFZOJBRLQ-HXUWFJFHSA-N 417.575 1.872 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc(CN(C)C)cs1 1644883903 JOSPCUNRCMAZEC-LBPRGKRZSA-N 407.521 1.060 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1(c2ncc(Br)cn2)CCC1 1645159465 PXYRGRXQHGQFOS-CCEZHUSRSA-N 420.267 1.651 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1 1645239575 LMDAWDMGYPOJHJ-LJQANCHMSA-N 403.504 1.916 30 10 HDEE Cn1ncc(NC(=O)CNC(=O)c2ccc(C#N)cc2)c1I 1645265053 MCRHDMBUYOIKSL-UHFFFAOYSA-N 409.187 1.265 30 10 HDEE C=C[C@H](CO)NCC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 1654313176 CRVSMFXAHJQAOE-QGZVFWFLSA-N 403.504 1.582 30 10 HDEE O=C(Cc1ccc(-n2cnnn2)cc1)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811578 IYZRMCKCTHIVIC-UHFFFAOYSA-N 406.402 1.109 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl)C(=O)OCC 1663904857 DOLSJZIMSOZPRA-ZDUSSCGKSA-N 409.913 1.920 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C)C(=O)OC 1664237670 LHBBCNWZTIFDKW-AWEZNQCLSA-N 403.522 1.883 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)CC1 1667516892 DGZXKQWFNJMMFC-UHFFFAOYSA-N 424.498 1.066 30 10 HDEE C#C[C@H](NC(=O)N1CCN([C@]2(C(=O)OC)CCOC2)CC1)c1ccc(Cl)cc1F 1674036588 QVMAJGNOIRJOCK-FXAWDEMLSA-N 423.872 1.813 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1 1674547289 RFRUWIUMLZLCRM-UHFFFAOYSA-N 404.414 1.000 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3ncn(-c4ccccc4)n3)C2=O)cc1 1682021276 CVJWXJNJFJYOAS-LJQANCHMSA-N 415.457 1.739 30 10 HDEE CCN(CC)CC[C@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccccc1 1684760819 VBXJTOYEHOHDLX-SFHVURJKSA-N 412.494 1.593 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)NCC#C[C@@H]2CCCCO2)C1=O 1687387881 DHQFOFZJJOVTLS-DLBZAZTESA-N 407.511 1.581 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1689962613 LNQCYXBJCZHKBK-KDOFPFPSSA-N 407.396 1.749 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689987818 CRDDZXQYXKFPHC-NUJGCVRESA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@H](F)C1)[C@H]1CCS(=O)(=O)C1 1689988001 HILGVHWPOXPZLE-OIISXLGYSA-N 420.514 1.444 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(OC)C1CC1 1690103630 FFPJYAHRKZSIMW-BEFAXECRSA-N 410.540 1.081 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCOCC(=C)C)CC1 1690146242 IYRLGCSHMJSEPO-GOSISDBHSA-N 401.511 1.341 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 1690263652 GMULSKYQZPLEAD-KRWDZBQOSA-N 403.575 1.658 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690663636 CGUHFPCYLCQQAD-UHFFFAOYSA-N 412.494 1.644 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC1CCCC1 1690669304 AJLIYPQRADHICV-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C(=O)OC)C1 1690734038 UHVOBWRICQCWOZ-CQSZACIVSA-N 416.507 1.844 30 10 HDEE C=CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690736404 CVULGECDJMWYII-QGZVFWFLSA-N 412.519 1.687 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)C1 1690810322 XBDUOIMEXQVOJW-ZWOKBUDYSA-N 404.490 1.873 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1692517844 DHZZNGJPGWHQBK-UHFFFAOYSA-N 424.571 1.760 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1692654937 AQZUIUURQBNXCL-CQSZACIVSA-N 419.507 1.889 30 10 HDEE Cc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1693508500 AAOQANBRTJFNEC-NXDJFEHLSA-N 400.483 1.366 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1694782024 AKJXIIODCMMOTQ-GOSISDBHSA-N 411.510 1.110 30 10 HDEE Cn1cc(Br)cc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC1(O)CC1 1696849477 CYJQOZJIASCECX-GFCCVEGCSA-N 407.272 1.300 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](CN(C)S(C)(=O)=O)C1 1705516471 CDHKQEFOVOKSEH-ZWKOTPCHSA-N 423.583 1.693 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)CC1 1705517173 QALUKDOLIFKVNL-GOSISDBHSA-N 423.583 1.142 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N[C@H](C)CC 1705556828 VLBHSEIFVJNKSH-CQSZACIVSA-N 402.524 1.644 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)C2CCCC2)CC1 1705642561 XZZPTSNAGZAZCM-UHFFFAOYSA-N 413.570 1.030 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@@H]2CCCN(CC(C)C)C2)CC1 1705642873 KDTNGLABWQYCSI-HXUWFJFHSA-N 402.587 1.938 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)c1ccco1 1705879899 OUOMNRURAQSOBC-FQEVSTJZSA-N 403.483 1.654 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)cc1 1705911454 IMLJRFCKRPZLQV-GOSISDBHSA-N 424.505 1.544 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[S@](=O)CC 1722347133 ZTLVLQPCHAMNBM-MUUNZHRXSA-N 406.508 1.809 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccc(Cl)c1 1722353594 XZXZDBDBZQCAQT-IFXJQAMLSA-N 422.938 1.811 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1722354056 YLHVUKAWKSWKLA-QGZVFWFLSA-N 400.527 1.334 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@]1(O)CCOC1 1722632720 DXQAHAODSNSNOC-LJQANCHMSA-N 420.539 1.320 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1722686570 LAMQWJPVIIWIHR-INIZCTEOSA-N 410.526 1.490 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCN(C(=O)OC)CC1 1722695696 MRHBGHKMUPNYAM-UHFFFAOYSA-N 418.885 1.789 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1723883036 DDULXEZOYBNVHE-UONOGXRCSA-N 407.496 1.554 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2CC2(S(C)(=O)=O)CC2)cs1 1725300034 NUKBVEXEMQDVND-UHFFFAOYSA-N 420.564 1.951 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC=CCO2)cc1 1731185083 PNUVZSAPBLRZCC-RTBURBONSA-N 406.446 1.803 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1731186973 ICWBZTJNFVGRKP-HZPDHXFCSA-N 410.469 1.315 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1740649118 OJVGAMMHKUGKKI-INIZCTEOSA-N 417.510 1.733 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1F 1740649119 OJVGAMMHKUGKKI-MRXNPFEDSA-N 417.510 1.733 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCCC1 1740662533 UKZKTALHISSRMC-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCSC1 1740678329 JNYMFKLLDOYMDT-OAHLLOKOSA-N 400.508 1.765 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C(=O)NCC)cc1 1740684559 UVJYAHZOEOELCV-GOSISDBHSA-N 424.505 1.113 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)CC1 1740691698 BELOKFJNUWZCOL-NRFANRHFSA-N 420.517 1.768 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1740848179 DJYBWHBPOXYTDC-LSDHHAIUSA-N 401.515 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1740992323 FCHDBCHLMXLQDV-AEFFLSMTSA-N 419.551 1.726 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2cnn(C)c2)nnc1[C@]1(OC(C)C)CCOC1 1740995472 NCWZRUVBPSZYQD-SFHVURJKSA-N 424.527 1.397 30 10 HDEE C[C@@H]1COCCN1c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1 1743355238 IWBJJZMJCRFBLF-OAHLLOKOSA-N 406.446 1.951 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748649922 UZPPJDFYRZLSOR-DLBZAZTESA-N 411.506 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1748671720 NCGMHEYZFZGLRH-ZNMIVQPWSA-N 401.433 1.503 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 1748758114 RVEVQVCCHUUGMF-UHFFFAOYSA-N 408.506 1.846 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccsc1 1748892985 ZLNNBCVSMQFVFE-KRWDZBQOSA-N 402.545 1.947 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccc(F)cn2)CC1 1748978794 OQNQGZCASRPSGH-NRFANRHFSA-N 414.485 1.268 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCN(C)C(=O)[C@H]1C 1749132149 ZEDGJQZASOVWGO-BDXSIMOUSA-N 403.527 1.820 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC(=O)N(C)CC 1749594019 DLFPXSPEHDGVEL-UHFFFAOYSA-N 401.467 1.791 30 10 HDEE COCC[C@@](C)(O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1749614591 ZHRWINLHOXWUHQ-QZTJIDSGSA-N 408.503 1.863 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1 1749663440 FJSAVWTVVNKYMC-SFHVURJKSA-N 423.525 1.636 30 10 HDEE C[S@@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@](C)(C(N)=O)C2)CC1 1750217720 FQVPCTLOPYFWBL-ADXZGYQBSA-N 412.519 1.430 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)NCC(F)F 1751091567 JRBIFAASKCOZKM-LLVKDONJSA-N 407.381 1.973 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1760182719 LLZOZCRJCUQQAZ-GJYPPUQNSA-N 410.540 1.224 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1760187979 MKGCWZCTBAIWBX-JKSUJKDBSA-N 405.524 1.046 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H]1CCCN1CC)[C@@H]1CCS(=O)(=O)C1 1760189971 MSNGYIDFIVAPPH-QZTJIDSGSA-N 405.568 1.342 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@](C)(CC)O2)CC1 1760252584 RXGAIZRMSHJDKZ-UTKZUKDTSA-N 402.543 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCC2(O)CCC2)CC1 1760269498 JWODXQKLSSKIQL-SFHVURJKSA-N 415.538 1.443 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCn2c(nc3c2CCCC3)C1 1760341612 LZTOCMSMZVAEDV-AWEZNQCLSA-N 419.555 1.560 30 10 HDEE CCc1cnc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)s1 1764581513 HDQDAKKHNWHCKH-NEPJUHHUSA-N 411.557 1.694 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1 1766157538 FDGJZTOGWJXQDV-BXWFABGCSA-N 424.546 1.497 30 10 HDEE CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@@](F)(C#N)C1 1766691635 KBBUGPJSVDFJFI-MRXNPFEDSA-N 412.516 1.511 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1767243148 REPHOMLNGBZJEE-INIZCTEOSA-N 418.523 1.229 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1 1767360292 NEEVZBZRYYOILG-UHFFFAOYSA-N 416.551 1.783 30 10 HDEE COCCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1 1769667626 CPOIMCLPDAHOTQ-SFHVURJKSA-N 411.510 1.802 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1769735969 MUQHYMFRDVAZPI-OAQYLSRUSA-N 410.478 1.482 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)SC 1769845118 HOWKQCKHVOSTIY-CQSZACIVSA-N 415.585 1.688 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1770918516 CEHZWVUJEKGIRO-SJORKVTESA-N 415.519 1.724 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCCS1(=O)=O 1771066943 ATAFUXWRIPJCPH-KRWDZBQOSA-N 403.508 1.867 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)ON2C(=O)c3ccccc3C2=O)s1 1772787998 HVJOPTUNWIKHQV-AWEZNQCLSA-N 420.468 1.964 30 10 HDEE COc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)ccc1OCC(=O)NC(C)C 1772790630 RSDXBQVIGIEUMH-UHFFFAOYSA-N 412.398 1.967 30 10 HDEE N#CCCN1CCN(C(=O)c2cn(-c3ncccc3-c3nc(C4CC4)no3)cn2)CC1 1848540669 FIUZPMCABRTNRD-UHFFFAOYSA-N 418.461 1.866 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CC1 1850003871 CBPNSJXSUMRBNU-SFHVURJKSA-N 408.499 1.331 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3Cc3ccncc3)cnn2C)CC1=O 1852762805 QIAOSSKBNVAVFO-INIZCTEOSA-N 420.477 1.403 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)CO2)nc1 1852969644 UGUFXBBBQZHGOR-HOCLYGCPSA-N 422.397 1.398 30 10 HDEE CCc1nc2c(n1CC(=O)OCCN1CCN(c3ncccc3C#N)CC1)CCCC2 1853032834 SRTUAIYFUFTXSE-UHFFFAOYSA-N 422.533 1.956 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN1S(C)(=O)=O)c1ccccc1Cl 1853109018 DWRGNTMMSMLLLY-CQSZACIVSA-N 416.956 1.972 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CC[C@H](Oc3ccncc3Br)C2)C1=O 1854194885 BZXGXJVVUQMVJT-GXTWGEPZSA-N 407.268 1.728 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)cc1 1854644196 XGGGVTXREUWJDP-MRXNPFEDSA-N 411.483 1.857 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)CC1 1855024831 BTXMFUCEJQWUBY-CQSZACIVSA-N 416.453 1.735 30 10 HDEE CN([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1855596459 KMTFUSKPLZHOLB-ROUUACIJSA-N 403.504 1.127 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)Cn1cccn1 1857017843 BIATYXXWWXZMJX-MRXNPFEDSA-N 414.487 1.728 30 10 HDEE Cn1nccc1C(=O)N1CC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857035846 DAOJDFYCEJJXKE-GOSISDBHSA-N 408.462 1.219 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857226244 WXOHVQLNGGSGBH-DLBZAZTESA-N 401.511 1.480 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1857242777 OKWMWKMJMHOXQC-IRXDYDNUSA-N 416.547 1.628 30 10 HDEE C#CCCCC(=O)N1CCC2(CC1)CN(C(=O)c1cncn1C)C[C@@H]2c1nnc(C)o1 1857625066 RUFUKEWZBDWMJC-QGZVFWFLSA-N 424.505 1.763 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H]1CCS(=O)(=O)C1 1868592520 UWUSQHXQDZKBEF-MOPGFXCFSA-N 404.532 1.739 30 10 HDEE CCc1nc(C2=C(N)N(c3ccc(CC(=O)OC)cc3)CC2=O)sc1C(=O)OC 1872724920 YOTJPJSFZWYFKK-UHFFFAOYSA-N 415.471 1.924 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1/N=C/c1cccnc1 1874433482 NBIYMJOMARUABQ-LSFURLLWSA-N 413.463 1.193 30 10 HDEE C=C(Br)CS(=O)(=O)N(C)C[C@H]1COCCN1C(=O)OC(C)(C)C 1982282901 GIKUAKLISLEXMF-LBPRGKRZSA-N 413.334 1.793 30 10 HDEE Cn1cc([C@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)c(Br)n1 2074367876 OPGSEESALLPHAT-AAEUAGOBSA-N 413.320 1.627 30 10 HDEE CC1=CC(=O)C[C@](C)(COC(=O)C[C@@](C)(O)CC(=O)O)[C@@]1(O)/C=C/C(C)=C\C(=O)O 2085725266 HBBVFDNZOWNNLQ-HJYZRVNOSA-N 424.446 1.389 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)CC2(C#N)CCC2)CC1 2174779421 JAKOWODBBZGOTP-UHFFFAOYSA-N 401.529 1.704 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)C[C@@H]1CCNC(=O)OC(C)(C)C 2174781696 IIZHHXHYCUTJNC-HOCLYGCPSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)CS(=O)(=O)CCN2c1nccc(C#N)c1Cl 2183489788 KNCXIHIQWPVAQJ-UHFFFAOYSA-N 412.899 1.831 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2243108068 FUEKPBCLJWXOLY-LBPRGKRZSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)NCCCCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243402923 OYEZZYCARYPWRZ-UHFFFAOYSA-N 408.308 1.744 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243418919 NNJCOWFPDYAWGU-DGCLKSJQSA-N 406.292 1.352 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1(NC(=O)OC(C)(C)C)CC1 2247838695 LVSCOOAPMNQGGV-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE C[C@@H](CCO)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857301 UBVXMRWYRMAIDS-HNNXBMFYSA-N 414.315 1.528 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C(NC(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)[C@H]2C1 2247864129 ATHBVHBVKGUBJG-KBPBESRZSA-N 417.315 1.909 30 10 HDEE CN(CCN(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247917850 LNOVTRIUXWXGMD-UHFFFAOYSA-N 422.335 1.658 30 10 HDEE CCc1nc(C(=O)NCC2CC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)s1 2267174053 BQWXCYXTEKEHAL-UHFFFAOYSA-N 408.329 1.888 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[S@@]1=O 2267711786 PULHPRRPLOUNCE-JNDILOIQSA-N 405.372 1.189 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)c1nncs1 2267720268 LXASHYWJVPDSSB-VIFPVBQESA-N 401.344 1.938 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@H]3CCC[C@@H]3O)c2)OC1(C)C 2282420223 WCKJVMTXVATAHZ-OCCSQVGLSA-N 401.359 1.877 30 10 HDEE CC1(C)CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1 2282420969 HQJCXBYURRJVLJ-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N(O)C2CCOCC2)OC1(C)C 2282492070 NLWSZFGJCRHEMO-UHFFFAOYSA-N 404.319 1.142 30 10 HDEE CC(C)[C@](C)(CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506257 PSKGBLWIEZSQBI-INIZCTEOSA-N 403.379 1.235 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC2(CO)CCC2)OC1(C)C 2282513369 ZYXRGTXGOFSCQA-UHFFFAOYSA-N 401.359 1.629 30 10 HDEE CC[C@H](CS(C)(=O)=O)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(C)s1 2282647410 BDLVZJAPMIVEKG-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CCC[C@H](CO)C2)OC1(C)C 2282877913 YNPLANUYZXECHS-STQMWFEESA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCC4(CC3)OCCO4)c(O)cc2O)OC1(C)C 2282983394 KVNITZIPUVKZSU-UHFFFAOYSA-N 405.256 1.376 30 10 HDEE Cc1cc(S(=O)(=O)NCC(C)(C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284396142 TVLPGBRTVZBPDX-UHFFFAOYSA-N 403.331 1.745 30 10 HDEE COC[C@@]1(C)C[C@@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284686293 XRMJVTHUZVKQDS-SJKOYZFVSA-N 401.359 1.998 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N[C@H](CSCC(=O)O)C(=O)O)C1 2288508733 YXWWNDUYYMYTCM-LLVKDONJSA-N 402.469 1.235 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](O)[C@@H]1CNc1cc(Br)cnc1C#N 2312322297 MNPDGILXCOZQLE-MJBXVCDLSA-N 413.272 1.469 30 10 HDEE CC(C)(C)OC(=O)NC(CO)(CO)C(=O)Nc1ccc(C#N)cc1Br 2320921885 MOWOMUYAPYRTGO-UHFFFAOYSA-N 414.256 1.507 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCCC#CBr)(C(=O)O)C[C@@]12CCOC2 2324749621 JYINHMSLTSRYPB-SJORKVTESA-N 417.300 1.945 30 10 HDEE N#CC1(CS(=O)(=O)N2C[C@@H]3C[C@H]2[C@@H]3NC(=O)OCc2ccccc2)CCOCC1 2330588733 SSVCIFJHLQHGIL-OKZBNKHCSA-N 419.503 1.636 30 10 HDEE C=CCNC(=O)CN[C@@]1(C(=O)O)C[C@@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2348405899 LKBCZTDTZYIZFL-UWJYYQICSA-N 403.479 1.769 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 2367788019 NNMNEGYJCRIWFD-CVEARBPZSA-N 401.573 1.390 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367847719 HIRCNGZUGOUMOH-YPMHNXCESA-N 407.435 1.142 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2372721392 DZCLODVHEWJLME-DEYYWGMASA-N 402.513 1.514 30 10 HDEE C=CCC1(N[C@](C)(CS(=O)(=O)C(C)C)C(=O)O)CN(C(=O)OC(C)(C)C)C1 2373184785 WHAAEBYBXVPQEJ-QGZVFWFLSA-N 404.529 1.808 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)NCc3ccccc3)cc2C1=O 3569424 VMXJYUPUQCMCHL-UHFFFAOYSA-N 421.409 1.651 30 10 HDEE CCOc1ccc(NC(=O)CS(=O)(=O)[C@H](C)C(=O)Nc2c(C#N)cnn2C)cc1 16893309 ZJNUEPWXUWSNJB-GFCCVEGCSA-N 419.463 1.071 30 10 HDEE O=C(C[C@H]1OCCN(CCO)C1=O)Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F 95952583 ANHAHNAZVASZIT-ZCFIWIBFSA-N 418.265 1.810 30 10 HDEE CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2ncccc2C#N)CC1 208906174 CPGXBCDSIADOFA-OAQYLSRUSA-N 416.485 1.831 30 10 HDEE N#C[C@@H]1CNCCN1C(=O)c1cc(I)ccc1Br 232463164 ZXLOQZJVSDIHHT-SECBINFHSA-N 420.048 1.991 30 10 HDEE C=CCn1c(=C(C#N)c2nnc3n2CCCCC3)sc(=Cc2cccnc2)c1=O 254383193 CLEFPANDRYPVPF-UHFFFAOYSA-N 404.499 1.360 30 10 HDEE COCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C(F)(F)F)c1 254579032 LXFLCLLTFCKKFB-NEPJUHHUSA-N 408.423 1.953 30 10 HDEE N#CCNC(=O)C(=O)Nc1ccc(I)c(Br)c1 302311512 CSUWFZMAUYWRPT-UHFFFAOYSA-N 407.993 1.632 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccs1 461496379 IBPLVEVBKZITGJ-MRXNPFEDSA-N 423.564 1.899 30 10 HDEE COCCN(Cc1ccnn1C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 470570447 RKQWQQPYMHPWOR-UHFFFAOYSA-N 404.492 1.786 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)C3(c4ccc(C#N)cc4)CC3)CC2)cs1 470704802 UMJSLOGYPNJBFK-UHFFFAOYSA-N 416.528 1.888 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 471622897 UVNMMPAILXQLFN-INIZCTEOSA-N 408.296 1.199 30 10 HDEE CC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1c(C)nn(C)c1C 482403260 SSLBLPCFXHJILT-GUYCJALGSA-N 403.508 1.843 30 10 HDEE CCCc1c(NC(=O)NCC(=O)NCC#N)cnn1-c1cc(F)c(OC)cc1F 483431221 PGPDSSNDYIYHDF-UHFFFAOYSA-N 406.393 1.873 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C#N 489095978 BQEJRDQGYZTZSU-CYBMUJFWSA-N 408.505 1.552 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 490041064 FXYGVWAYOSDEKK-AWEZNQCLSA-N 405.432 1.792 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 544611568 UEEPQZNEBOTTAN-OAHLLOKOSA-N 402.538 1.385 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCS4(=O)=O)cc3)CC2)n1 545462676 GSDDUFGTKLTGTD-UHFFFAOYSA-N 411.487 1.456 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H](c3cnn(C)c3)C3(CO)CCC3)CC2)o1 560659030 OGBCHKWHYNRKMF-SFHVURJKSA-N 412.494 1.825 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)ccc1C#N 570012425 ZSCNNEPJDYNNSY-UHFFFAOYSA-N 404.839 1.879 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2n2cccn2)cc1 573132107 IRTMBBAEWQUIDU-KZNAEPCWSA-N 404.492 1.496 30 10 HDEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)/C=C/c1ccco1)N1C(=O)c2ccccc2C1=O 585830919 JJOSQJHQDCQUEB-MCGFRWAZSA-N 421.453 1.641 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c(F)c1 586863897 CZVIZLWZCYDDET-FQEVSTJZSA-N 424.476 1.721 30 10 HDEE N#Cc1ccc(C(=O)NC[C@@H](O)COc2ccc(I)cc2)cn1 609679692 BSULHJJARABEQD-CQSZACIVSA-N 423.210 1.728 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cccn4C)CC3)cc2C1=O 612474805 KMCIYTXJOJAAOD-UHFFFAOYSA-N 406.442 1.405 30 10 HDEE C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCN(c2ccccc2S(N)(=O)=O)CC1 615454984 IJMUUANAIVXXKQ-MRXNPFEDSA-N 419.551 1.187 30 10 HDEE C#CCN(C[C@@H](C[C@H]1CCN(S(C)(=O)=O)C1)NCCC)C(=O)OC(C)(C)C 691252458 BVVMNQOYFKHRLK-IAGOWNOFSA-N 401.573 1.897 30 10 HDEE CC1CCN(S(=O)(=O)NCc2ncc(B3OC(C)(C)C(C)(C)O3)s2)CC1 714611858 VJXAIZDKYLUJFA-UHFFFAOYSA-N 401.363 1.509 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)OCc1noc(Cc2ccccc2)n1 731693825 WKVBCEJLMBIAJZ-UHFFFAOYSA-N 412.427 1.442 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)COC(=O)[C@@H]1CNC(=O)N1)CCCC2 732364440 ZIQDBMCJAJBQQW-INIZCTEOSA-N 407.430 1.391 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 734276571 OUYDPPTUVUJONG-UHFFFAOYSA-N 415.538 1.293 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H](O)C(F)(F)F 736217118 WZRGPMKTEFDHCS-CQSZACIVSA-N 421.441 1.715 30 10 HDEE CCc1noc(-c2ccc(C)c(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)c2)n1 751016664 PJNDXBZOALMMJW-INIZCTEOSA-N 408.462 1.745 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)c3cccs3)c(C)c2)CC1 758991350 XNEOGFSPDORGIZ-UHFFFAOYSA-N 424.526 1.816 30 10 HDEE C[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCN(c2cccc(C#N)n2)CC1 760910688 IHWCWXWANYHKNE-SFHVURJKSA-N 420.517 1.939 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccccc1C(=O)NC1CC1 764667100 PDCDSRNUWOFBOH-ZDUSSCGKSA-N 412.471 1.756 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(=O)O)C1 766837986 DDNQMUPNGHVBSJ-DZGCQCFKSA-N 407.492 1.463 30 10 HDEE CC(C)n1ncc2cc(/C=C/C(=O)NS(=O)(=O)CC3(C#N)CCC3)c(=O)[nH]c21 771074178 PQECIIDVQXRLMC-SNAWJCMRSA-N 403.464 1.459 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCCC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 777294320 GTZOEXUEVGBDLG-UHFFFAOYSA-N 423.491 1.530 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccccc3O[C@@H](C)C#N)nn2)cc1 780058988 JIURUXROIHCALF-AWEZNQCLSA-N 420.429 1.822 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 780987775 YUILPGQHZIBOFZ-APWZRJJASA-N 405.410 1.115 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C(=O)N3C[C@H]4C[C@]4(CO)C3)c2)c1 782729933 BVOPMJVFTLLHPI-NTKDMRAZSA-N 418.449 1.652 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)N2C[C@H](O)CC(F)(F)C2)cc1 787402659 HHCXWESVCADBSI-IKGJXOFFSA-N 416.450 1.733 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 789330048 JNUVYYAQGDXNJS-HNNXBMFYSA-N 405.476 1.761 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c2ccc(C)cc2)n1 790105833 CYOKFJMDAUTLFT-KRWDZBQOSA-N 418.519 1.167 30 10 HDEE C#CC[C@H](Cc1ccccc1)OC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 793374559 MBTICAOBMQNEJS-MRXNPFEDSA-N 405.454 1.986 30 10 HDEE CCn1nc(-c2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C)c2ccccc2c1=O 800763661 SHFKDWCYDFRFNL-HNNXBMFYSA-N 404.478 1.388 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCO[C@H](C(F)F)C3)n2)c(Cl)c1 802584737 JNYIHVPIMSPELC-ZDUSSCGKSA-N 409.780 1.828 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H](C)c2ccc(N3CCCC3=O)cc2)C1=O 803594617 QBEYDIRHFOCECF-MAUKXSAKSA-N 412.490 1.236 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC[C@@H](C(N)=O)C1 809926662 OQJUFEONGIEHKV-KGLIPLIRSA-N 406.487 1.084 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3c(Br)nnn3C)cc2C1=O 816145620 WFZPZMRJCLWRRB-UHFFFAOYSA-N 405.208 1.717 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@@H]3[C@@H]3CCCN3C)ccc2c1=O 816750510 NLKBSBHWDHKIFQ-ZWKOTPCHSA-N 414.531 1.806 30 10 HDEE CC(C)OCCCNC(=O)[C@@H](C#N)C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O 916873165 PYDIVXDPGMOHFH-HNNXBMFYSA-N 406.483 1.223 30 10 HDEE C[C@H](Sc1n[nH]c(NN=Cc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n1)C(=O)NC1CC1 1084008877 MDBACHIAIWPFCT-QMMMGPOBSA-N 420.411 1.826 30 10 HDEE COc1cc(C=NNc2nc(SCCC(=O)N(C)C)n[nH]2)cc(OC)c1OC 1084609370 XBDPPNJKPWBMQP-UHFFFAOYSA-N 408.484 1.847 30 10 HDEE CC[C@H](NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C(=O)N1CCOCC1 1126778693 PVMSRNBVZBWLSZ-JKSUJKDBSA-N 410.515 1.717 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1130700616 FGXZSMUTGFRFHC-JHJVBQTASA-N 406.401 1.405 30 10 HDEE CN(C)CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)n1 1136287139 UGXUGHXLDQTWLF-PYCFMQQDSA-N 418.523 1.510 30 10 HDEE CN1CCC(CCO)(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)CC1 1137990706 CJMCVLGKEVJDJW-UHFFFAOYSA-N 421.339 1.720 30 10 HDEE N#Cc1cc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)ccn1 1139856809 VQZUXPCKQFCKAQ-UHFFFAOYSA-N 401.267 1.355 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(F)ccc(Br)c2C)CC1 1152974547 VMOUKPJUFOOJIR-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE Cn1ccnc1[C@@](O)(CC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1)C(F)(F)F 1161849902 UNJZBJAKVYJAJB-KSSFIOAISA-N 422.411 1.930 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN4C(=O)NC(=O)[C@@H]4C3)c2C#N)C1 1192937542 AJNXDNBLPBBTKN-RISCZKNCSA-N 401.492 1.309 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(OCCC(C)C)cc2)CC1 1201106576 AKAKBHMKXCPAFJ-UHFFFAOYSA-N 408.524 1.729 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl)C(=O)OCC 1211880831 DIKVGHCEIKGMKM-SECBINFHSA-N 415.942 1.981 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)NCCn2cnc(C#N)n2)C1 1271807804 VESPZTMSGXPPLJ-UZLBHIALSA-N 412.450 1.082 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286327500 JBXUJOLSHPHYNH-GOSISDBHSA-N 421.505 1.540 30 10 HDEE C#CCN(c1nnc(C)n1CCCc1nc2ccccc2[nH]1)[C@@H]1CCS(=O)(=O)C1 1286383168 LMNVXIVZEHRMRA-MRXNPFEDSA-N 412.519 1.722 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1286384330 HURFWQQEEZTQFT-JKSUJKDBSA-N 410.540 1.008 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1cccc2c1OCO2)[C@@H]1CCS(=O)(=O)C1 1286384558 IIFJBRXZLFAHAT-MRXNPFEDSA-N 416.503 1.805 30 10 HDEE C#CCSCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1286511997 HAYDYRIGAJOSPK-ABSDTBQOSA-N 424.567 1.537 30 10 HDEE C=CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@H]1CCS(=O)(=O)C1 1286726841 JDWDWVBDMQOCTF-RHSMWYFYSA-N 404.492 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1286785010 BNLUMMILYNIHAZ-QGZVFWFLSA-N 406.494 1.890 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(Cl)cc3)n2Cc2nnn(C)n2)C1 1286806942 HJVYSIQMEQYKSB-MRXNPFEDSA-N 414.901 1.875 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286819012 WQXVRVUEISXFNW-NVXWUHKLSA-N 405.524 1.945 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](CCC)C1 1286823307 UHHVEMWRNGANKA-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@]2(CCCOC2)C1 1286824763 IIRDMBRLARMIOY-APWZRJJASA-N 410.540 1.737 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC2(C1)OCCO2 1288508506 NVWWZOJQGFILTG-CVEARBPZSA-N 402.499 1.796 30 10 HDEE CCc1nnc(N2CCCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1293068185 MOAKYAOFHCGCDG-VHEBQXMUSA-N 415.542 1.678 30 10 HDEE CCOCc1nnc(N2CCCC(C)(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1297209190 QXTUHELUAHUQMI-ZCXUNETKSA-N 402.499 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1CCCCN1CCN(CC)CC1 1300526860 QGWLPBBTRCXJLB-UHFFFAOYSA-N 405.550 1.831 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1CC1(N2CCCC2)CCOCC1 1300529242 IIPALDHGZNSYQN-UHFFFAOYSA-N 405.506 1.453 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cnc(C)s1 1300780304 PELYHUJMYWHDBZ-YVEFUNNKSA-N 408.553 1.694 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN(C)S(=O)(=O)CC)CC1 1301081003 ZCRVUVXDBJAJMW-OAHLLOKOSA-N 410.544 1.057 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCNC(=O)c1cc[nH]n1 1301298110 YTROWHZFSMTKKZ-KRWDZBQOSA-N 409.450 1.566 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCS(=O)CC1 1301502256 DUWKHVPFWDQDRN-UHFFFAOYSA-N 407.927 1.393 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCN(C3CC3)C2)C1 1301536432 WFFWDQRKPDRHAU-FUHWJXTLSA-N 402.543 1.682 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1301587418 ZNVJYNRWPXESDI-HNNXBMFYSA-N 416.569 1.160 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1301611653 FQQCZIXXRSAMIS-HUUCEWRRSA-N 420.539 1.174 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cccn1 1302311521 MEAPBRPWCGVKFV-BBWFWOEESA-N 401.471 1.018 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1302559475 MMBRVXAEAQOILC-OKILXGFUSA-N 421.519 1.742 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@]34CCCC[C@@]3(CN(C)C4)C2)cc1 1305905206 HBIJHRLYGZYEIL-NHCUHLMSSA-N 401.532 1.546 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(C(F)F)nc4ncnn34)CC2)cc1 1306925473 QEFBMZBALXXELR-UHFFFAOYSA-N 419.417 1.444 30 10 HDEE C#CC[C@H](CO)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1 1309666831 RHGKBBURCZMJOY-SNVBAGLBSA-N 402.259 1.202 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1)C1CCOCC1 1309700533 ACQYPUOXMYSUAW-CQSZACIVSA-N 402.419 1.903 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1F 1309774194 QQLLQULCXSHQES-UHFFFAOYSA-N 406.526 1.717 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[S@@](=O)CC(F)(F)F)C2=O)cc1 1312485537 LKAXURPHDCSNGS-GMYLUUGSSA-N 416.425 1.664 30 10 HDEE C[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cn1 1312624682 FLNIGXJLKAJEKU-SECBINFHSA-N 407.228 1.038 30 10 HDEE C=CCN(C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CC1 1313274363 FTYRKXKGACKYRN-OAHLLOKOSA-N 401.529 1.771 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C[C@@H](C)O1 1315929118 BOMYPIDNSRSVPH-RHSMWYFYSA-N 408.466 1.234 30 10 HDEE CCN(Cc1nc(O)c2ccccc2n1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1318405968 FCXRBIXSRIJFLN-HTXNQAPBSA-N 410.434 1.393 30 10 HDEE C#CCCCn1c(Cc2ccc(F)cc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358931185 RIHGMDVFBVBEOB-INIZCTEOSA-N 419.526 1.892 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC1CC1 1358941693 UAOKNDWFHUSFEB-UHFFFAOYSA-N 418.519 1.857 30 10 HDEE C#CCN(c1nnc(COCC)n1CC[C@@H]1CCO[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1358967482 LFLOLSXPAZRTRS-KURKYZTESA-N 424.567 1.647 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccsc1)N(C)C 1359023842 YFNZUDATRIGXIF-SJORKVTESA-N 416.551 1.680 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1)[C@H](Cc1ccccc1)C(=O)OCC 1435899998 MNGBTEWOVKAWFB-UYAOXDASSA-N 424.501 1.962 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(C#CCO)c1 1449131357 LHFFXMQACRLBKB-GOSISDBHSA-N 416.474 1.655 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1452857545 IULXBCKLOSVSTG-QGZVFWFLSA-N 403.504 1.305 30 10 HDEE C#Cc1ccc(NC(=O)Cn2c(=O)oc3cc(S(N)(=O)=O)ccc32)c(Cl)c1 1456613889 POHOEENMGJSTGE-UHFFFAOYSA-N 405.819 1.515 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H]3CC[C@H](C#N)C3)CC2)cc1OC 1461069709 FNWCVBZEEOXZMK-GOEBONIOSA-N 421.519 1.913 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(N)=O)c(Br)cc1F)[C@H]1CCCO1 1463558723 IQSJUXNCQIWSQK-NWDGAFQWSA-N 405.245 1.146 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1)C1CSC1 1465026059 YKOSXWXBQSCYRO-UHFFFAOYSA-N 416.547 1.942 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cnccc2C#N)CC1 1468539620 UGIRPRQEOLWDQA-KKSFZXQISA-N 415.494 1.362 30 10 HDEE COCCN(CCOC)C1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1469724306 KIYWINLWKGXJDX-UHFFFAOYSA-N 423.554 1.443 30 10 HDEE COC[C@@H]1CC[C@@H]([C@H]2COCCN2C(=O)c2ccc(-n3ncc(C#N)c3N)cc2)O1 1472009987 LIBISQGTNVKXRO-OTWHNJEPSA-N 411.462 1.361 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCc2nc(C#N)cs2)C1=O 1472144499 MJDPFHBWBPKBOO-ZDUSSCGKSA-N 407.496 1.394 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)C1CCOCC1 1475515805 ZNUYWDFBYNJKPS-IBGZPJMESA-N 418.519 1.798 30 10 HDEE CCCN(CC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1500818873 UAJCMVVLNMOMMG-CZIZESTLSA-N 424.509 1.831 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3ccccn3)nnc2N2CC[C@](F)(C#N)C2)CC1=O 1504899628 GTYLMBIOIQWASA-YWZLYKJASA-N 413.457 1.277 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCOc1cccc(C(F)(F)F)n1 1507621098 PMZUDYRCOXELSS-UHFFFAOYSA-N 422.411 1.963 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1-n1cccn1 1507636546 AGHXFOOSJWXKFH-UHFFFAOYSA-N 414.473 1.216 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCCCC1 1507673013 LRSPXZUDFSXRFH-HXUWFJFHSA-N 410.566 1.985 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1507691453 BPWNCCWVHNFOBH-MRXNPFEDSA-N 416.551 1.588 30 10 HDEE C=C(C)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)CCNS(C)(=O)=O 1507829335 WYBLNVKWWRDZAJ-UHFFFAOYSA-N 415.523 1.692 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(c2nc(C)no2)CC1 1507942607 FCHJFGHGAUKZQR-CYBMUJFWSA-N 423.543 1.930 30 10 HDEE C=CCCOCCn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1507962015 KOTUWJSISSRCSU-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1507992326 BMSZNAJWYFUDEU-HIFRSBDPSA-N 407.540 1.250 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1508072805 KNDSNHLWYVJQSX-QRVBRYPASA-N 413.522 1.972 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(O)CCO[C@@H]1C 1508417235 YROCNTXOQHXXOQ-PJIJBLCYSA-N 400.439 1.989 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1CC1(S(C)(=O)=O)CCCC1 1508422107 HQGHBAFEOUCBHS-CQSZACIVSA-N 403.512 1.688 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1512211128 ZZUYCPQRLNCHRB-HMWBCQRISA-N 408.466 1.498 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1518832399 FMQRTYDBKQRXJF-UHFFFAOYSA-N 421.461 1.668 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(OC)nc1 1519274536 CCIYNYSMXHJHAI-AUUYWEPGSA-N 404.446 1.896 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)CC1 1521310156 QZIJEPVRXFSLIT-QKKBWIMNSA-N 418.494 1.429 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COc2c(C)occc2=O)c1 1526860526 QQBSNULLZAWOPQ-UHFFFAOYSA-N 410.426 1.200 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)o1 1538308537 JVYBUXSWWYOWOT-YWZLYKJASA-N 411.439 1.741 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCO[C@H]2C(=C)C)CC1 1539427982 LDNVUGXZVMYOIV-OALUTQOASA-N 412.538 1.251 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCCOC2)CC1 1539481860 PBYMBGCTCAZXLA-HKUYNNGSSA-N 415.538 1.565 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1 1539733284 RESSDUFHCGOBRT-UHFFFAOYSA-N 417.491 1.815 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2F)nnc1N1CCN(C)C(=O)C1 1539759546 VEHWBJJXTCJKIT-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCS(=O)(=O)CC 1539824497 VKCMWPJPZOMUDT-KBPBESRZSA-N 406.936 1.626 30 10 HDEE COc1c[nH]c(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)cc1=O 1540832399 NDYYYOKVVWCTAU-UHFFFAOYSA-N 410.409 1.525 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C)C1 1540868929 WWGPOPBBLTWNKT-INIZCTEOSA-N 407.478 1.658 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1541798020 ABUGFDQECVNGAS-LSDHHAIUSA-N 408.528 1.220 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)C1 1541987884 HLUCDUJKAONGBL-WOJBJXKFSA-N 402.499 1.450 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@H](C)C#N)n2CC2(O)CCS(=O)(=O)CC2)n1 1542548544 DWFLEWLOIFEVKJ-CQSZACIVSA-N 418.523 1.184 30 10 HDEE CCc1cnc(CCn2c([C@@H](C)OCCOC)nnc2N2CCO[C@@H](C#N)C2)s1 1546326196 FVICLZJPSJDYQC-CABCVRRESA-N 420.539 1.992 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N2CCCCCC2)cn1 1554329251 CZRBUNNPCNRADY-HXUWFJFHSA-N 414.489 1.913 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)CC1 1554531607 KNGVDHGPNNEXET-JOCHJYFZSA-N 422.489 1.684 30 10 HDEE CO[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC[C@H]1C 1555167970 LLLXKEKPABUWBJ-RHSMWYFYSA-N 403.508 1.723 30 10 HDEE C[C@H](O)c1cn(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)nn1 1558633784 JTWSPSNVRIOGHR-XLPZGREQSA-N 422.276 1.961 30 10 HDEE C[C@]1(C(=O)NCC#C[C@H]2CCCCO2)C[C@H](O)CN1C(=O)OCc1ccccc1 1558752554 IHMIOGXOWFTBCG-NNMXDRDESA-N 400.475 1.837 30 10 HDEE Cn1nccc1[C@@H](NC[C@H](O)COc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 1559964243 PMKDVKRUQCAXHA-QFBILLFUSA-N 400.479 1.898 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(CC(=O)N3CCN(CC)CC3)cc2)CC1 1562453330 VZYYNWKBYJYHOT-UHFFFAOYSA-N 411.550 1.612 30 10 HDEE CN(C)Cc1csc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1564690383 RHZWENYWHRTSEQ-QGZVFWFLSA-N 412.519 1.677 30 10 HDEE CCN(C(=O)CSCC#N)[C@@H](C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1584717857 KSNWKUQQQNZOSG-HNNXBMFYSA-N 412.556 1.950 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 1585857366 GOQISCQLQZGYIE-KGLIPLIRSA-N 402.517 1.114 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)CCS2(=O)=O 1586023380 RVJDRCHHYHFLMX-BJCXPLBRSA-N 412.414 1.465 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1CC1CCS(=O)(=O)CC1 1588117823 RUODSTBYNFPAPD-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(C)CN(C2CC2)C1=O 1588159433 WPXUAGNHLAWASN-JOCHJYFZSA-N 405.506 1.223 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(OC)CCC(C)CC2)CC1 1588805757 BEIIUCKJLMTOIB-DKTYTTGXSA-N 414.554 1.580 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCC(NC(C)=O)CC1 1589530643 XQPXCVLTJLNNJG-LPHOPBHVSA-N 413.526 1.765 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccc(F)cc1 1594962353 KIXRJJUVSASMOE-AUUYWEPGSA-N 408.499 1.849 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(CC(F)F)CC1 1595555879 KDKAINVTDARIIW-UHFFFAOYSA-N 422.455 1.697 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)Cc1cnn(CC)c1 1595569636 LPYPNMNDBZBNPM-UHFFFAOYSA-N 411.514 1.295 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C1 1595672437 AXGOMAXTMNBISG-CVEARBPZSA-N 411.572 1.638 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1595672443 AXGOMAXTMNBISG-JKSUJKDBSA-N 411.572 1.638 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@](CC)(C(=O)OC(C)(C)C)C2)C1=O 1598460054 XCTGLSGRWHGOJS-FQEVSTJZSA-N 407.467 1.324 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(O)CCO[C@@H]1C 1602849409 IAEXLGWYRWJRAC-IIBYNOLFSA-N 411.510 1.535 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@H]1COCCO1 1603673661 GNGQPQGFPXRBRE-SFHVURJKSA-N 411.510 1.485 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1611292688 QZTILKPRRFYJFV-UKRRQHHQSA-N 416.507 1.366 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1(C2CC2)CCC1 1611710776 FDFJZSLQYGCCAH-HIFRSBDPSA-N 408.528 1.197 30 10 HDEE CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1615226235 OIPGCKFXUZSELN-HNNXBMFYSA-N 412.475 1.866 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCCC2(C)C)CCOC1 1616260579 DKRYVHDACIFTMK-DQLDELGASA-N 419.526 1.600 30 10 HDEE C[C@@H](N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1)C(F)(F)F 1620689106 GNEYEAXTMFYWNG-LLVKDONJSA-N 407.389 1.832 30 10 HDEE COCC[S@@](=O)Cc1cccc(NC(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1623099385 DQUSORCWGMYRLN-MUUNZHRXSA-N 407.492 1.892 30 10 HDEE CS(=O)(=O)NCC1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1623844550 ZBGXMZVWBRBRNV-UHFFFAOYSA-N 414.325 1.651 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nc[nH]c3C2)cc1 1624926648 DXSBFZZNNIZGQI-LUHTUZHSSA-N 401.492 1.966 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1625378429 KITYKSHWMQIHNK-AWEZNQCLSA-N 414.462 1.273 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CSC[C@H]2C(=O)OCC)s1 1626805948 PGGYNCBDZLHBHH-LBPRGKRZSA-N 404.535 1.220 30 10 HDEE Cn1cnnc1CCNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1628600901 QOKFZXIDGAAKPV-GOSISDBHSA-N 410.478 1.880 30 10 HDEE C[C@@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)Oc1cccc(Br)c1 1630328311 HJNPLSOWZUCHJL-NSHDSACASA-N 421.251 1.557 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(F)c(I)c2)CC1 1631231025 GKCMAUQYWULSAX-UHFFFAOYSA-N 401.179 1.628 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C[C@@H]1CCCO1)C(F)(F)F 1631390969 NJGYEPHPUQUDHD-CORIIIEPSA-N 419.425 1.841 30 10 HDEE N#Cc1cccc(ONC(=O)c2sccc2S(=O)(=O)N2CCC(CO)CC2)c1 1631982872 GNWRKSCUZPQNLY-UHFFFAOYSA-N 421.500 1.737 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCC[C@H](c3nn[nH]n3)C2)C1 1632408498 BTZNKBQWNQJRNN-NSHDSACASA-N 416.283 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@](C)(C#N)C3)CS(=O)(=O)[C@@H]2C1 1633641083 PISKVLKSHCGPLO-DEXNDLTESA-N 411.524 1.419 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2cc(Cl)ccc2Cl)CC1 1635993971 WHNHMEIAOLLTSU-UHFFFAOYSA-N 404.244 1.979 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2cc(Cl)cc(Cl)c2F)c(=O)nc1O 1637720464 ASRYNMHUYSSMBT-UHFFFAOYSA-N 400.197 1.766 30 10 HDEE N#Cc1cncc(N2CCN(CC(=O)Nc3ccc(Br)cc3)CC2)n1 1639599701 GMEHYBXLYJMQFG-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE CC[C@@](O)(CCC(F)(F)F)CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1639659800 QQUWAPBFCVSGLK-OAHLLOKOSA-N 407.414 1.325 30 10 HDEE CN1CCN(CC2CN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)c(Cl)c4)C3)C2)CC1 1641391110 IFUQYCIDNRGXEH-KRWDZBQOSA-N 415.925 1.270 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1643240725 AAEZBYLATQMJNA-CVEARBPZSA-N 409.527 1.726 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCN(S(=O)(=O)C3CC3)CC2)cc1 1643861137 AIWQMBYZQOPYNL-KRWDZBQOSA-N 404.536 1.740 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c1 1644013006 CCAKYLJXCCKVPS-DEOSSOPVSA-N 420.513 1.885 30 10 HDEE N#Cc1cn(CCC(=O)NCC2(c3ccc(Br)cc3)CC2)c(=O)nc1O 1644217220 GESPXBJDAIPWKS-UHFFFAOYSA-N 417.263 1.821 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 1647891146 IJHODTWGVCNZIN-QGZVFWFLSA-N 410.440 1.861 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1 1648004898 GFTVEHLCXDLSHU-UHFFFAOYSA-N 423.447 1.128 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(C(=O)CNC(C)=O)CC1 1648572213 QGDVSFHPDFDNTE-QGZVFWFLSA-N 424.542 1.433 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc3c2CCN3C(=O)C(F)(F)F)c(=O)nc1O 1652234782 LHLDUTMXLIBZFK-UHFFFAOYSA-N 421.335 1.301 30 10 HDEE O=C(CCN1C(=O)COc2ccccc21)N(O)CCCN1C(=O)c2ccccc2C1=O 1654811583 JIHZGWBVVIICEX-UHFFFAOYSA-N 423.425 1.706 30 10 HDEE C#CC1(O)CN(CC(=O)N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)C1 1660508763 YZZKMDLETIBRAH-UHFFFAOYSA-N 402.804 1.082 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1674403233 IBHCRTCZRWMYIR-SFHVURJKSA-N 406.552 1.614 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@H]3CCN(c4ccc(F)cc4)C3=O)CC2)c1 1683191838 DQPWLUSWYRZTJI-SFHVURJKSA-N 408.437 1.729 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)N[C@H]1CCN(c2cc(O)ncn2)C1 1684556422 OMDVDGPGWYCTFX-SFHVURJKSA-N 409.494 1.406 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1685543406 KNZVTODDFHQFTM-LSDHHAIUSA-N 405.499 1.900 30 10 HDEE C[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1687734987 FDPAHQPOKRVDLF-NSHDSACASA-N 420.267 1.686 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)CC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689940719 BESLKVJYZLVABS-UWJYYQICSA-N 401.511 1.543 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1690045293 IOTZQJVYXOQNOW-KRWDZBQOSA-N 420.521 1.253 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC(F)(F)CO2)CC1 1690110330 HELXSYXMKDQMPC-INIZCTEOSA-N 424.496 1.376 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C1CC1 1690190373 SJDMOWOFJOURPH-OAQYLSRUSA-N 407.478 1.444 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCCO[C@@H](C)C1 1690676355 XNOKPYGVPHAWSE-HNNXBMFYSA-N 403.458 1.914 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)c1 1693230555 LCYYOAMBROBOHO-RTBURBONSA-N 413.478 1.700 30 10 HDEE CCOCc1nnc(N2CCC[C@@](C)(OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696301223 JXRGONDUGOKLKC-CECJQHFESA-N 418.498 1.346 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(C)(C)N1CCOCC1 1698139110 YMMPJMFXNKWNNX-QGZVFWFLSA-N 420.558 1.853 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCC3)n2CCN/C(O)=C2/N=CC=CC2=O)c1 1698484186 GKLBZXVKLJRROH-ZZEZOPTASA-N 403.446 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@@H]1C 1705485708 NZJLZMZANYQCOC-CKJXQJPGSA-N 406.494 1.930 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)[C@H]1CC 1705532193 IIVRFGNTEAUVAO-GOSISDBHSA-N 422.537 1.580 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705548199 ZAUFZPSATRDPBZ-KGVIQGDOSA-N 419.570 1.887 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1705567483 WWTGUISXTJAFHB-HKUYNNGSSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCC 1705580629 NBIGJQZYCRFNDP-HSZRJFAPSA-N 418.501 1.816 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1Cc1cccnc1OCC(F)F 1705583427 XVVCXOMAARZLQB-MRXNPFEDSA-N 401.417 1.942 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(C(=O)N(C)C)CCCC1 1705629266 BXFXKWOEXBGZTK-UHFFFAOYSA-N 424.549 1.999 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1705640184 IBUWKERVHBWPNH-QFIPXVFZSA-N 410.497 1.242 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(C2CCOCC2)CC1 1705657651 MCQVUMSWBMBPQR-UHFFFAOYSA-N 414.579 1.951 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(C)=O)CC1 1705739425 FZRCUWLPZSJGEN-UHFFFAOYSA-N 415.542 1.837 30 10 HDEE C=C(Cn1c(C(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 1705741166 HTLZJROPWMSCNO-UHFFFAOYSA-N 421.509 1.450 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705785950 BXYGAJRAGJHULS-RRFJBIMHSA-N 424.571 1.205 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCOCC 1705899479 UROBKLAWNYAIRQ-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C[C@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@](F)(C#N)C1)N(C)C 1706792088 GCPSTZICNSTZCZ-ZUOKHONESA-N 410.457 1.986 30 10 HDEE CCCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1709671417 GHIFIBVQTGWXEQ-GOSISDBHSA-N 415.542 1.507 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1710976949 NJWNZUPXAHQROA-UHFFFAOYSA-N 421.505 1.496 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1712181942 BESILOPMVNTCNF-ZBFHGGJFSA-N 416.457 1.380 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCOCC3)n2C[C@@H]2CCCS(=O)(=O)C2)cc1 1712880511 BBUCWCNYYQCWLS-INIZCTEOSA-N 401.492 1.478 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC(=O)NCCc1ccccc1 1722299615 REJMOUKSQWSNDQ-GOSISDBHSA-N 419.533 1.957 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NCC#C)CC1 1722336569 NJRFWLZEYUDXTK-UHFFFAOYSA-N 422.489 1.385 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1722337098 VCVDGTXYCNJVJG-INIZCTEOSA-N 412.494 1.724 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1csc(C(C)C)n1 1722346064 UJWCGHFAKOUSKB-CYBMUJFWSA-N 410.569 1.780 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(C)n2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1722349916 GGVHEDZZIPTUFL-UHFFFAOYSA-N 421.505 1.973 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(CC(F)(F)F)CC1 1722381561 RPRITJXVJDCSSK-MRXNPFEDSA-N 422.455 1.576 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc(CC)s1 1722386936 BYQYHOIJMYFPEP-YOEHRIQHSA-N 400.508 1.537 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C)n2)n1CCN/C(O)=C1/N=CC=CC1=O 1722432988 WOLDNEZHUFUFLU-ZZEZOPTASA-N 405.462 1.634 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1722462310 LVDANPVRLWDZIH-IBGZPJMESA-N 401.540 1.208 30 10 HDEE CC(C)CCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723410552 GHTOFWKWSKFFJV-SFHVURJKSA-N 417.558 1.656 30 10 HDEE C[C@@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1726711872 BSKUUWXKMUXSMJ-FYLWIRDISA-N 400.483 1.371 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1728187854 ZIUZYJPOPGDVGX-IRXDYDNUSA-N 424.461 1.847 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1729833014 GUPIKDCNGOEOGR-GJZGRUSLSA-N 407.482 1.685 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOc1ccc(F)cc1 1740534489 ZENIMZGCRDBCLP-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1740622776 IJSUWWWAHOSMAD-VPWXQRGCSA-N 408.568 1.969 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(F)ccc1OC)[C@H]1CCS(=O)(=O)C1 1740624466 HEOJZVOXFAVGLN-INIZCTEOSA-N 406.483 1.663 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cc(F)ccc1OC)[C@@H]1CCS(=O)(=O)C1 1740624467 HEOJZVOXFAVGLN-MRXNPFEDSA-N 406.483 1.663 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1CCC(=O)NC 1740645119 HHQPXTGXTUQBSE-INIZCTEOSA-N 414.510 1.559 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)NC 1740661979 AHCQETIOEPVFLL-UHFFFAOYSA-N 415.317 1.044 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCOCC2)CC1 1740697820 HJDUDHLUGOWPKU-UHFFFAOYSA-N 423.565 1.132 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CC2([S@@](C)=O)CCC2)CC1 1740705398 GDQCAXDOQRDIPJ-MUUNZHRXSA-N 403.552 1.423 30 10 HDEE C#CCSCCn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740723263 OJYAJPZDPWKFNX-FXAWDEMLSA-N 424.567 1.537 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1CCS(=O)(=O)N(C)C 1740733202 GKDSERVHQVDKNX-GOSISDBHSA-N 407.565 1.814 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740792245 WFIXYWAEIOHNJN-JXFKEZNVSA-N 400.483 1.712 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CCN(c2cnn(C)c2)CC1 1740883582 ZHICIUWHMJWFEH-UHFFFAOYSA-N 410.526 1.936 30 10 HDEE Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1742270977 CNFXEHZMCKXDNN-OAHLLOKOSA-N 406.446 1.990 30 10 HDEE CC1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1743126496 KTDNTLZURNHPPA-VLGSPTGOSA-N 415.498 1.179 30 10 HDEE CC[C@@H]1CN(c2nnc(C3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H](C)O1 1745019480 HFTYJWAFQOHJHM-GJSVEYNCSA-N 400.483 1.686 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCC(=O)NC(C)(C)C)CCOC1 1746673939 CYTCFJKLEPQFCT-OAQYLSRUSA-N 418.542 1.975 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@@](C)=O)CC2)C1 1748316076 IFAQLQXRMWMCIA-GUNSETOZSA-N 413.503 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(SC)CCOCC1 1748875482 QEBJYOUSGGAGMZ-UHFFFAOYSA-N 415.563 1.889 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1748979321 YIOQYBUSBWJGSL-SLFFLAALSA-N 417.554 1.739 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2cnccc2OC)CC1 1748993269 STCSUSZWTAKQOY-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1749038600 LOJUVIDHUFIOLE-INIZCTEOSA-N 420.583 1.779 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1749048682 UKYPUOJIHLLVAW-OXJNMPFZSA-N 421.567 1.387 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)N(C)C)CC1 1749198667 QNXSFCYWWFQHFG-UHFFFAOYSA-N 403.556 1.420 30 10 HDEE C=C(C)COCCn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](C(N)=O)C1 1749219521 KKDNNVFALBWELY-HNNXBMFYSA-N 415.494 1.867 30 10 HDEE C=C1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCC(=O)NC)CC1 1749297599 HPRATLWWOPHTOK-UHFFFAOYSA-N 407.478 1.485 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(CC)C[C@H](O)c1ccc(C)cc1 1749668596 ASBAFOVXDAFGPV-OALUTQOASA-N 413.522 1.953 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1749690981 XLCZVRMFCUTEGO-IBGZPJMESA-N 422.489 1.838 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)CCO1 1752389038 UMSIRHQJMIZACX-KKSFZXQISA-N 413.478 1.759 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc2c(c1)C(=O)NCC2 1760099192 ZHLONVMBAKNAHO-HOTGVXAUSA-N 411.506 1.794 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(OC)CCOC1 1760212464 VQDCHZDOUYIPFI-NHCUHLMSSA-N 402.495 1.199 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC1CCN(CCN(C)C)CC1 1760224536 NYJOYRVQYBGWHN-UHFFFAOYSA-N 415.586 1.247 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1760235290 IOBZOCOWGZKWEF-MRXNPFEDSA-N 411.572 1.897 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCOC1 1760250458 HNNYGSNIAANLIO-QFIPXVFZSA-N 409.490 1.519 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1760446999 HZQBBSXAZANXKN-HXUWFJFHSA-N 406.575 1.410 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1760448423 BWYNMQPIJVFSLA-UHFFFAOYSA-N 420.539 1.405 30 10 HDEE C=CCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760511939 RDNOAMDSDNQPDO-UHFFFAOYSA-N 401.540 1.220 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1763034497 GVZJVJVTADMILE-OAHLLOKOSA-N 421.505 1.542 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763657421 RSWLVBSJDZOZMA-LSJPXJTBSA-N 414.510 1.935 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)cs1 1764652623 HEQKUCRAARKTHD-STQMWFEESA-N 408.553 1.843 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 1764684207 CYRGZXLDMZUPIX-GOSISDBHSA-N 409.494 1.400 30 10 HDEE CCCNC(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1766233130 OQDIDCFWFISQJM-AWEZNQCLSA-N 418.448 1.792 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)CCO1 1767707590 KHTFSRCEZOMQLW-OAHLLOKOSA-N 420.420 1.050 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2cncn2)C1 1771262386 WVPURRKYYNGMGN-GOSISDBHSA-N 422.493 1.598 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCOCCCO)C1 1771529532 PIENAMVCNLUZNC-FXAWDEMLSA-N 417.441 1.632 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)NCC#CCN3CCCCCC3)cc2C1 1849767329 IOUYPAJXYBEZKP-UHFFFAOYSA-N 403.548 1.749 30 10 HDEE COc1ccc(CN2C[C@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)cc1 1850692827 BLWCUBARFHITFT-OAHLLOKOSA-N 401.426 1.919 30 10 HDEE CN(CC#CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCOCC1)Cc1ccccc1 1851856902 WFUMFQKWYZTHPM-YADHBBJMSA-N 409.530 1.679 30 10 HDEE C=CCN1C[C@@H](C(=O)N=c2nc3nccc([C@H](C)Oc4cccc(F)c4)n3[nH]2)CC1=O 1852331534 UBAIUHKWAWEHGK-KBPBESRZSA-N 424.436 1.798 30 10 HDEE CCS(=O)(=O)NCCC(=O)N1CCCc2nc(C#N)cc(Br)c21 1852896300 QWOCCBDQYWOMHB-UHFFFAOYSA-N 401.286 1.324 30 10 HDEE C=CCN1C[C@@H](C(=O)OCc2cnc(S(C)(=O)=O)n2Cc2ccccc2)CC1=O 1853053443 QWDSLLFYEWDTLE-INIZCTEOSA-N 417.487 1.413 30 10 HDEE C=CCN1C[C@@H](C(=O)N(C)c2c([N+](=O)[O-])cnn2-c2cccc(Cl)n2)CC1=O 1853378083 LHKJDILXVJWIHO-NSHDSACASA-N 404.814 1.826 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)Cc3ccc(OC)nc3)CCC2=O)CC1=O 1853998548 YNJZVZXDEOKLSK-MSOLQXFVSA-N 414.506 1.322 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)CC2CCC(=O)CC2)C1=O)[C@@H]1CCN(C)C1=O 1854113316 BXDRGWMTWLNKSC-RBUKOAKNSA-N 403.523 1.762 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2ccc(C#N)cc2)C1=O 1854189923 MALKMSQZEGLHAK-PMACEKPBSA-N 408.502 1.727 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(C)cnc2C(F)(F)F)C1=O 1854194783 VZNPJCUIQWBSQK-LSDHHAIUSA-N 424.423 1.869 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCN(C(=O)CC3CC(F)(F)C3)C2=O)C1 1854251910 VQPVITSISBYETI-INIZCTEOSA-N 404.417 1.969 30 10 HDEE CC1(C)C(=O)N(C(=O)C2CC3(COC3)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854515934 CXXHWMIEEMXHAA-UHFFFAOYSA-N 417.487 1.123 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCC(Cn4ccnc4)CC3)CC2=O)CC1=O 1854562461 JVJRHDRJOZDLCA-MOPGFXCFSA-N 413.522 1.005 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)C[C@H]3CSc4nccc(=O)n43)C2)CC1 1855037832 CRMSYALCYMMCGD-IRXDYDNUSA-N 416.547 1.943 30 10 HDEE CN([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)CCc2ccc(C#N)cc2)C1=O 1855607572 OVVDHTQOQNGWBD-RTBURBONSA-N 417.531 1.517 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H](C)n2nc(-c3ccc(F)cc3)ccc2=O)CCN1CCC#N 1856189620 RNORMYXLDXQDDY-GJZGRUSLSA-N 411.437 1.583 30 10 HDEE O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 1862630576 WYFNVPCAKOOXBK-KRWDZBQOSA-N 412.354 1.894 30 10 HDEE CC[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccc2)CC1 1869930308 XDWDQMMGLRCDSZ-GOSISDBHSA-N 412.515 1.853 30 10 HDEE C#CCOc1cn(CCc2ccc(OC)c(OC)c2)c(CN2CCOCC2)cc1=O 1870559953 VGUYZMNXFFRKAK-UHFFFAOYSA-N 412.486 1.952 30 10 HDEE CCCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cccc1OC 1874432491 IVFRGYHPEGCGLB-ZVBGSRNCSA-N 420.495 1.171 30 10 HDEE COc1ccc(C(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1OC 1889433802 JSVFVAUZDYZJHH-UHFFFAOYSA-N 415.534 1.576 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3cc(-n4cccc4)ccn3)CC2)CC1 1890053324 JUNVYQNTYJQREU-UHFFFAOYSA-N 421.545 1.744 30 10 HDEE N#Cc1ccnc(O[C@H]2CCN(C(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)C2)c1 1891190223 HXGIORBRVICOPQ-ZDUSSCGKSA-N 421.369 1.137 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)c2cnc(NN)c(Cl)c2)CCN1Cc1ccccc1 1914880620 CAVSARWLRPZFCG-CQSZACIVSA-N 406.899 1.419 30 10 HDEE C=C(Br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n1cc(C(=O)N2CC(NC(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247910381 LYPHSBIVJODNQK-UHFFFAOYSA-N 420.319 1.551 30 10 HDEE C#CC[C@H](CNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C1CC1 2258184530 JZISXULLMDEEKY-SJORKVTESA-N 408.476 1.335 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCS[C@@H](CO)C3)s2)OC1(C)C 2267375567 JBGGPLGJVVWEJA-LLVKDONJSA-N 405.372 1.146 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)cc1 2270526222 FHMQYAUVIKVJNM-SFHVURJKSA-N 416.455 1.878 30 10 HDEE CO[C@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1F 2282314844 GFGOHHLJPYWHAI-NEPJUHHUSA-N 405.322 1.713 30 10 HDEE C[C@H](N)C1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2282335450 PSCOARRXERVXKH-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC(C)[C@@](C)(NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282340292 DIFIRBUNDJIZSI-MRXNPFEDSA-N 402.347 1.226 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(F)C[C@@H](CN)C2)OC1(C)C 2282347828 CXWXIXGLRJCXDG-AITUWYQGSA-N 404.338 1.403 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(N)CCC3)ccc2Cl)OC1(C)C 2282489914 IDCLGFBYWNNXBF-UHFFFAOYSA-N 400.737 1.799 30 10 HDEE CCCN(CCCO)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282841697 XBKAUUYPVXQEDV-UHFFFAOYSA-N 404.363 1.367 30 10 HDEE CC(C)NC(=O)[C@@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857297 GKPLWADMVZSQFU-LLVKDONJSA-N 402.347 1.239 30 10 HDEE CNCC[S@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282874373 ZPKNNOGHVWUBSK-VWLOTQADSA-N 422.403 1.194 30 10 HDEE CCOC[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C(=O)O 2284392135 SYBVUSLSKDDQQP-JTQLQIEISA-N 403.693 1.920 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@@H]2C(=O)O)OC1(C)C 2284400877 CKHSJRCDTGGZDI-RYUDHWBXSA-N 401.315 1.330 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2C[C@H]2C(=O)O)OC1(C)C 2284403574 RCOIEUHKVUEPEC-SKDRFNHKSA-N 401.677 1.391 30 10 HDEE CN(CC[C@@H]1CCO1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2296015931 NZDKBCSJAAGYMV-CQSZACIVSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(F)(F)C[C@@H]3CN)s2)OC1(C)C 2296486031 DBTXEFWFXYGOEQ-SNVBAGLBSA-N 408.301 1.404 30 10 HDEE Nn1c(SCC(=O)NCc2ccccc2)n[nH]c1=NN=CC=Cc1ccccc1 2313701523 ABBDANNMNZEEHB-UHFFFAOYSA-N 407.503 1.933 30 10 HDEE CC(=O)N[C@H](CS)C(=O)Nc1cc(F)c(F)cc1I 2351720149 NTSRCZXVDHJAMV-SNVBAGLBSA-N 400.188 1.942 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365195773 FJDAULWPVBSYCS-GJRWTSMGSA-N 400.541 1.433 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365207869 ATHBWJCHJNCMPH-HNAYVOBHSA-N 401.525 1.779 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COC[C@H](C)N1C(=O)OC(C)(C)C 2367792884 SDYNZMJRYHNGDG-JYJNAYRXSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)c1cnn(C)c1I 2367809647 PCQIOYVXFRQAHM-LLVKDONJSA-N 407.277 1.256 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@](CNC(=O)OC(C)(C)C)(C(=O)O)C1CC1 2375780230 JGTLUYVFPVXCCR-KBXCAEBGSA-N 402.513 1.420 30 10 HDEE C=CCn1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 23516246 BQRAROWVDUBJJX-VXGBXAGGSA-N 409.537 1.778 30 10 HDEE COc1ccc(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)cc1OC 58995624 DBPVTHZSDDSODL-OMCISZLKSA-N 420.480 1.850 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(N3CCN[C@@H](c4ccccc4)C3)nc2)CC1 65256143 ZJDKQJOCIHZPGC-OAQYLSRUSA-N 404.518 1.904 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCOCC)C2=O)cc1 96567173 QPYRSXFKRDISED-OAQYLSRUSA-N 403.479 1.951 30 10 HDEE C=CCn1c(=O)[nH]c(C)c(Cc2nnc(SCC(=O)NC3CCCCC3)o2)c1=O 101350928 DIBWPWIQICHCRX-UHFFFAOYSA-N 419.507 1.546 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)CC1 111215373 MQUHIRVFKXYMOR-QGZVFWFLSA-N 424.592 1.841 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3(CO)Cc4ccccc4C3)C2=O)cc1 437937507 XBDLNJWAHDVRCP-LJQANCHMSA-N 418.453 1.409 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2CC(=O)Nc1sc(C)c(C)c1C#N 441199449 PPRPHKRAAQVPBC-XOUADPBQSA-N 405.476 1.600 30 10 HDEE COCCOc1ccc(Br)cc1S(=O)(=O)N(C)[C@@]1(C#N)CCOC1 463384156 GSEHKCMDGNREOG-OAHLLOKOSA-N 419.297 1.777 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)c3ccccc32)CC1 475345155 GQAQMTMQGHZYDD-SFHVURJKSA-N 409.467 1.761 30 10 HDEE COCCN1CCCN(C(=O)Nc2ccc(S(=O)(=O)[C@H](C)C#N)cc2)CC1=O 481078312 RBNLBPVHKMYEBF-CQSZACIVSA-N 408.480 1.085 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)[C@H](C)Oc2ccccc2C#N)C1 485896249 GLOCZJFVUCEKAZ-DOTOQJQBSA-N 409.508 1.225 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC(Oc2ccc(C#N)cc2)CC1 507807409 OMSNFGBYRHLSBP-SFHVURJKSA-N 420.517 1.929 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1CCC(S(=O)(=O)N2CCCC2)CC1 509009863 FVVMIDMYHRAFTG-UHFFFAOYSA-N 416.551 1.844 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)n[nH]1 513262641 OMSNGPCFDZYVAL-LRDDRELGSA-N 402.480 1.405 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnn2-c2ccc(F)cc2)c1=O 526038329 BFGPGKLEATYEGL-UHFFFAOYSA-N 408.458 1.644 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CC(N)=O 533690918 XZIQSUQIFFAWDH-UHFFFAOYSA-N 419.865 1.060 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 541922218 QZDLZUWEKSCOBM-OAQYLSRUSA-N 420.517 1.552 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCN(c4ccccc4F)CC3)CC2)n1 544879995 IFPFHZZTIJQCDK-UHFFFAOYSA-N 408.481 1.563 30 10 HDEE COc1ccc(C)cc1NC(=O)CNC(=O)CN1CCN(c2cccc(C#N)n2)CC1 545505254 RHKNQCPXZNUXBR-UHFFFAOYSA-N 422.489 1.147 30 10 HDEE C=C(C)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 549699373 UAZOHYBFXXMOIV-MRXNPFEDSA-N 414.897 1.245 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[S@](=O)C(CC)(CC)C1 569262052 DVDKXGMBCMTCHW-HAWMADMCSA-N 414.597 1.884 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)[C@@H]1CCN(c2ccccc2)C1=O 569534876 PJUAYPSIVHBMQG-GOSISDBHSA-N 412.471 1.100 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 610620810 LSSHAODDUJHJKC-LPHOPBHVSA-N 406.552 1.733 30 10 HDEE CN(C)C(=O)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(F)cc2)c1=O 623010640 PAFFZKMVISJASD-UHFFFAOYSA-N 413.474 1.009 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C(N)=O)CC[C@@H]1C 685546084 WKHGCBSGWRCDFZ-ZFWWWQNUSA-N 403.508 1.625 30 10 HDEE C#Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)cn1 729029738 GJRJKCXBVHXPPT-OLZOCXBDSA-N 401.444 1.133 30 10 HDEE COc1ccc(Br)c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732708468 POYJWXFNHOIZGT-LBPRGKRZSA-N 407.268 1.595 30 10 HDEE CC(C)CN(C(=O)CON=C(N)c1nccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 733192515 YBWSLIWVYHEITL-MRXNPFEDSA-N 418.519 1.543 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)COC(=O)CN1C(=O)NC(=O)C1(C)C 745050511 WMFLCLFVFZZGDT-LBPRGKRZSA-N 418.475 1.750 30 10 HDEE C[C@@H](OC(=O)C[C@@H]1NC(=O)NC1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 751576560 NPKCVLPVKUEOCO-SKDRFNHKSA-N 404.448 1.357 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](C2CCCCC2)C1 756841067 QLUMGHNKRFFYPD-KRWDZBQOSA-N 405.520 1.923 30 10 HDEE CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NS(=O)(=O)Cc1ccccc1C#N 757295230 STXOFVZWTTZUEZ-ORDXOSSNSA-N 407.517 1.762 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N(CCCn2ccnn2)C1=O 784125673 KYQFSCHNQGRBRS-LZHUFMSSSA-N 406.537 1.927 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2nnc3n(CC)c(=O)c4ccccc4n23)n1 789324612 QGHCRRRSWLPXEZ-UHFFFAOYSA-N 419.489 1.542 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@]3(C2)NC(=O)NC3=O)CCCN1C(=O)OC(C)(C)C 790236824 YRZNTMWNGZYKHJ-UXHICEINSA-N 406.483 1.533 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(C(=O)OC)cc2F)n1 795187314 AODKMLYGQOKBID-UHFFFAOYSA-N 409.439 1.279 30 10 HDEE CC(=O)NC[C@H]1CCn2ncc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)c2C1 797320647 FWDISWODWSEKSG-HNNXBMFYSA-N 421.523 1.115 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)CCc2nc(O)c3cnn(-c4ccccc4)c3n2)C1=O 798545386 ADJOBHGQLXABPT-QGZVFWFLSA-N 420.473 1.699 30 10 HDEE Cc1nn(-c2ccccc2)c(C)c1CNC(=O)COC(=O)[C@@H](C)n1cnc(C#N)n1 798743002 BHQMPDIPHJUQMX-OAHLLOKOSA-N 407.434 1.373 30 10 HDEE C#CCN(C(=O)Cc1c(F)ccc(Br)c1F)[C@H]1CCS(=O)(=O)C1 799934225 QUBXKWMBWHXMBG-JTQLQIEISA-N 406.248 1.919 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1)c1ccc(Cl)cc1 811960559 CNAMVEWLIVPOHX-QGZVFWFLSA-N 402.882 1.491 30 10 HDEE Nn1c(NN=Cc2c[nH]c3ccccc23)nnc1SCC(=O)NCc1ccco1 1084211226 YTIAVRHWCRKZPG-UHFFFAOYSA-N 410.463 1.921 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21 1126547399 WQYNPVBRUGJEAH-GOSISDBHSA-N 405.520 1.831 30 10 HDEE Cc1c(C(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cnn1CCC#N 1127401343 ZBSXOGMDQGSSNT-UHFFFAOYSA-N 401.901 1.528 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1130216234 VYBKBNBLJSLFKJ-ORAYPTAESA-N 408.476 1.599 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc3c(OC)ccc(OC)c3s2)C1=O 1132864395 ZFLNRPGQANSTPM-UHFFFAOYSA-N 404.404 1.229 30 10 HDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(F)cc1 1134649942 RVZIXYGLEISXHH-VBKZILBWSA-N 416.478 1.974 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)c2c[nH]nc2I)CC1 1136537276 BSHFDULAGZZDEU-UHFFFAOYSA-N 407.215 1.848 30 10 HDEE C#CCN1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCSCC2)CC1 1136863340 YHTAVGWSHREYSR-UHFFFAOYSA-N 413.590 1.267 30 10 HDEE C[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)c1cc2n(n1)CCCC2 1144035024 KGLQNXINUXPCRB-CYBMUJFWSA-N 401.492 1.525 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1148500122 TXOJRXIDQOJUOD-ZDUSSCGKSA-N 406.435 1.749 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1nc2cnccc2s1 1154663561 IHOOFAJLAJXLEZ-LLVKDONJSA-N 401.473 1.546 30 10 HDEE C=C(CCC(=O)OC)C(=O)N(C)CCN(C)CCN1C(=O)c2ccccc2C1=O 1160334335 NXAGQKGGIZUCKC-UHFFFAOYSA-N 401.463 1.182 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@@H](C(=O)OC)C1 1162059267 FNCWNVOEGMUXDC-ZIAGYGMSSA-N 403.907 1.586 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C(F)(F)F)nn2C)s1 1177327593 YKPTWJBKXKDBNI-UHFFFAOYSA-N 422.454 1.824 30 10 HDEE N#C[C@]12CN(C(=O)[C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C[C@H]1CS(=O)(=O)C2 1179649895 BWIURIMVSUJRHK-XLWVJDPXSA-N 407.879 1.090 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CO)C(F)(F)F 1179904737 ORNIDYGPXGSQAJ-YPMHNXCESA-N 407.414 1.179 30 10 HDEE C#CCN(C[C@@](O)(C(N)=O)c1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1 1197767214 ADDJAAJMJUEJIU-QFIPXVFZSA-N 401.507 1.694 30 10 HDEE COc1cc(NC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)c(F)cc1C#N 1219580496 DTXQUNCFBCUWMC-UHFFFAOYSA-N 412.429 1.705 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCc1nc(C#N)cs1 1251295845 MUVYETQQUUYNPF-UHFFFAOYSA-N 408.528 1.709 30 10 HDEE C=CCn1cc(CNC(=O)N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)nn1 1252076241 AABUSTXVJQJRLU-UHFFFAOYSA-N 420.473 1.992 30 10 HDEE Cn1cc([C@@]2(CNC(=O)N3CCN(c4ccsc4C#N)CC3)CCCO2)cn1 1256140542 ATOAPPSADDRWQJ-IBGZPJMESA-N 400.508 1.891 30 10 HDEE C=CCN1CC[C@H](N2CCC(N(CCC)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1=O 1265340449 SBLLHTDWFMOLPN-BCRJPVCJSA-N 401.551 1.900 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCCN(C)C)c1 1286444025 QBLXALRJSWPWHA-IBGZPJMESA-N 410.522 1.677 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(F)cc2F)CC1 1286480228 SPFAPVGDZWBGJL-QGZVFWFLSA-N 400.433 1.311 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H](CC)OC)CC1 1286480905 QWLRAAWGAUKXGV-XLIONFOSSA-N 411.506 1.971 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2Cc2nnc(C)s2)CC1 1286490604 ZCJCCHFJSRFPCC-UHFFFAOYSA-N 422.518 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)C2CC2)CC1 1286491326 NFWMTNSQACIYFC-HSZRJFAPSA-N 422.533 1.391 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1286627192 AQXGJOWIEINDDO-HOCLYGCPSA-N 408.934 1.671 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1286711962 VGLQGGKCVKPSCG-KRWDZBQOSA-N 411.510 1.919 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCN(C)C1 1286756162 QXLVEVRTWWSVCT-NRFANRHFSA-N 421.509 1.166 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCC)C1 1286810841 WMZRPJXNOGGUDA-HOTGVXAUSA-N 413.544 1.192 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H](C)N2CCOCC2)C1 1286812399 OUARXIMDKPFECO-ICSRJNTNSA-N 412.538 1.766 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)N(C)C 1288517941 GYMBOUHCMZYGML-OAHLLOKOSA-N 411.514 1.279 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCc1n[nH]c(C)n1 1292084262 HORRYBOACQPDLE-FQEVSTJZSA-N 413.530 1.996 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@](C)(O)c1ccco1 1293099700 AOKLJBRENQWMLG-NRFANRHFSA-N 407.478 1.934 30 10 HDEE C=C(CCN(C)C)C(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1296528687 BPFIXDYLRKFJKG-UHFFFAOYSA-N 404.515 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1300307269 DBVNDFXPAIIVBU-CVEARBPZSA-N 412.519 1.529 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)cc1 1300400572 HFCYBIZVJQXEER-ZDUSSCGKSA-N 408.398 1.765 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(O)CCCCC1)[C@H]1CCS(=O)(=O)C1 1300480178 YYWQDUOADXBNLQ-INIZCTEOSA-N 408.568 1.898 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCC=C(C)C)[C@@H]1CCS(=O)(=O)C1 1300491938 JQOHYNUFLDXBGF-QGZVFWFLSA-N 402.524 1.662 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC(=O)NCC=C 1300569199 GAXKOENQJGCSKD-UHFFFAOYSA-N 405.458 1.481 30 10 HDEE CN(C)CCCN(C)CCNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1300614231 WLIWGODVZGNNEF-MRXNPFEDSA-N 405.930 1.564 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](Cc2ccccc2)OC)CC1 1300698546 UVODANKFOVPLCB-WOJBJXKFSA-N 422.533 1.242 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O 1301421417 URVBUSYVPNVBIX-UHFFFAOYSA-N 422.507 1.400 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)CCC)CC1 1301520589 JGBPOMWLKHWHKV-MRXNPFEDSA-N 404.515 1.317 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NC(C)C 1303066368 CWKKAGPASLYSHM-INIZCTEOSA-N 424.571 1.471 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1nnc2c(=O)[nH]ccn12 1303589495 NODZJPUBPYWHMK-LLVKDONJSA-N 410.862 1.112 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1303635669 IJCFSBFPHCYPRI-OLPIVMHESA-N 402.499 1.696 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1cnc(C(F)F)c(C(=O)OCC)c1)C(=O)OC 1309760477 GXIIVPVCDOXBRR-GFCCVEGCSA-N 406.407 1.982 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H](CO)Cc2ccc(O)cc2)c(C#N)cn1CC 1310892645 FBCZGOWLMLDTRT-OAHLLOKOSA-N 400.435 1.987 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1316325466 ZITCUMJKMBJACR-ZJYNUGOYSA-N 423.477 1.400 30 10 HDEE N#C[C@@H](NC(=O)CC1(n2cnnn2)CCOCC1)c1ccc(OC(F)(F)F)cc1 1358037644 XECAZVRYXWUTTQ-CQSZACIVSA-N 410.356 1.849 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@H](N1CCOCC1)C(F)(F)F 1358885853 SGGXOXICZCJYNY-ZBFHGGJFSA-N 423.443 1.846 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1358929430 ZVGAEZNCUVLFDY-ROUUACIJSA-N 424.567 1.616 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CN(CC(C)C)CCO1 1358955389 KYXKAEJTWYMDHW-OTWHNJEPSA-N 405.543 1.428 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359056851 MLJVGWYTIKTTDH-RRFJBIMHSA-N 400.570 1.406 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1359132731 DJVLBFOGDIPXFO-NVXWUHKLSA-N 404.515 1.415 30 10 HDEE C[C@@](O)(Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(OCC(N)=O)CC1)C1CC1 1360726375 CMKTYJRGZZCPAN-JOCHJYFZSA-N 424.505 1.448 30 10 HDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@H](C#N)CO 1449519816 MBBGRZMAODYOMV-GXTWGEPZSA-N 403.298 1.043 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cn(-c3ccccc3)nc2C(C)C)CC1 1455115677 QQTHUKOJKIQCNE-UHFFFAOYSA-N 415.519 1.221 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1 1456676301 OIHPKHWQYHLTTG-IAGOWNOFSA-N 421.519 1.985 30 10 HDEE COC(=O)/C=C\[C@@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1457274773 ASQXXXYPVRXZEG-LEPFTWFBSA-N 405.476 1.193 30 10 HDEE C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)N1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1460309803 TZRYFBKOCFOSTK-WCXIOVBPSA-N 403.552 1.431 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](C#N)C2CCCCC2)cc1 1465505473 YMCLAPHSBGOSKY-SFHVURJKSA-N 406.508 1.902 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@](C)(O)c2ccc(F)c(Br)c2)CC1 1467453498 WSPBDLKXOOAAQV-GOSISDBHSA-N 411.271 1.784 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCc3nc(N)sc3C2)cc1S(=O)(=O)NCC#N 1467954377 HTOJRSONMCVDEG-LBPRGKRZSA-N 405.505 1.123 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nc2c(s1)CS(=O)(=O)CC2 1468956546 UJNHBUVYFWRIIS-LBPRGKRZSA-N 413.521 1.859 30 10 HDEE CC[C@H](CNS(C)(=O)=O)NC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 1470220383 DBOJVERVJONEOG-MRXNPFEDSA-N 421.523 1.246 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)COc2ccc(C#N)c(Br)c2)CCS1(=O)=O 1472045974 RLTGJIQALZLZIM-PWSUYJOCSA-N 401.282 1.781 30 10 HDEE CC(C)(NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)c1ncon1 1472097357 QLRBJBYPNFDYMS-UHFFFAOYSA-N 403.464 1.393 30 10 HDEE N#Cc1sccc1N1CCN(CC(=O)NCc2cccc(C(=O)NC3CC3)c2)CC1 1473640063 HOIJFIKJPOSSRM-UHFFFAOYSA-N 423.542 1.950 30 10 HDEE COCCO[C@@H]1COCC[C@H]1NC(=O)NC1CCN(c2ccccc2C#N)CC1 1478463148 UHERERGKQURILR-UYAOXDASSA-N 402.495 1.647 30 10 HDEE C#CCN(C(=O)NCc1cc(-c2ccccc2OC)no1)[C@@H]1CCS(=O)(=O)C1 1479044214 DYIVJTZOMGLJTR-CQSZACIVSA-N 403.460 1.682 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1479381597 ODQYCJUHKTVJKD-HZPDHXFCSA-N 421.494 1.363 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nccs2)CC1=O 1504910093 FHGCJRHVBXQAOQ-UHFFFAOYSA-N 423.502 1.617 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1507610011 CTVDUBRSDXOQDC-HUUCEWRRSA-N 401.433 1.505 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(O)CCC[C@H]1C 1507656277 DXGZGAPBQPTPGL-IIBYNOLFSA-N 411.531 1.894 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CCS(=O)(=O)C1 1507678275 FXDWVKKQKCJZRH-QFBILLFUSA-N 410.540 1.213 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2CC(=C)Br)CC1 1507719282 MQCFPDJHRFSRFP-HNNXBMFYSA-N 412.332 1.666 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1507732067 SLMKMJHYUNWQNG-MOPGFXCFSA-N 403.527 1.123 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2nnc(C(C)(C)C)s2)CC1 1507732806 LBTCEDQIXVMUQL-UHFFFAOYSA-N 403.556 1.767 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1507754672 FZLSDKXRENSWHR-HNNXBMFYSA-N 418.548 1.641 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1CCC(=O)NC 1507997078 NUNMOICROKSRBG-UHFFFAOYSA-N 409.494 1.617 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1508421429 FKDIDFLPOBQXTN-HUUCEWRRSA-N 405.528 1.161 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncccc1N(C)C 1508422759 FCBRYYMSPRHDHM-LSDHHAIUSA-N 417.539 1.285 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C1CC(C(C)(C)C)C1 1510215960 AJZGWNRNNVWUHG-XSCHDIRWSA-N 410.544 1.614 30 10 HDEE CO[C@H](CCn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C#N)C1)C(F)(F)F 1517801446 PKYTXWXLLCZNEO-LSDHHAIUSA-N 410.400 1.960 30 10 HDEE COc1ccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cc1O 1518281452 HKDRUXIYBCTWOE-ZFWWWQNUSA-N 419.507 1.681 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(C)CN(C2CC2)C1=O 1519277202 LWYIYPCZZQZLDR-XMCHAPAWSA-N 420.489 1.455 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)NCC(F)(F)F)CC1 1521143233 GZJRSDSBFFEEGP-CYBMUJFWSA-N 400.405 1.591 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(C(C)C)[C@@H]2CCN(Cc3ccccc3)C2)C1=O 1529570380 AQCZOBSXUNRZPZ-GOSISDBHSA-N 412.490 1.475 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)c1sc2ccc(C#N)cc2c1C 1531588638 ZVFCJXABRQODIH-ZDUSSCGKSA-N 406.485 1.884 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)C2(C#N)CCSCC2)CC1 1532927347 CTMRRDWUUVYHGT-UHFFFAOYSA-N 414.597 1.677 30 10 HDEE Cc1oc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1S(=O)(=O)N(C)C 1536662472 DUYFWOLHUQTBJV-QGZVFWFLSA-N 403.460 1.924 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1539132516 MBCDOEHPHYXQBQ-QGZVFWFLSA-N 410.482 1.822 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCn1cncn1 1539251690 NGNYGMXPHSJPQU-UHFFFAOYSA-N 405.462 1.717 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N(C)C 1539414033 RIRSGBCDJXZONG-CVEARBPZSA-N 416.551 1.680 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCS(C)(=O)=O)CC1 1539436631 XRCDBQZQZNDYIP-UHFFFAOYSA-N 401.536 1.307 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nccn2C(F)F)CC1 1539444480 PORBIHOYXSRCKT-UHFFFAOYSA-N 401.425 1.074 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCCN2C[C@@H](C)O[C@H](C)C2)CC1 1539444883 XAZUGURICGWAOA-WOJBJXKFSA-N 423.565 1.595 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CCC2(O)CCC2)CC1 1539475407 FENSSFYDGIBIMP-UHFFFAOYSA-N 410.522 1.555 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1539643782 NJYWEYWMLGONKH-MOXGXCLJSA-N 402.474 1.824 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CN(CC(C)C)CCO2)CC1 1539847123 KGSIATWDLDRCBJ-ROUUACIJSA-N 402.543 1.742 30 10 HDEE Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cnn1CCC#N 1540474371 PWDIRGFRPKWRCL-UHFFFAOYSA-N 417.491 1.056 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cccs2)CC1 1540877092 KMPGGKYIIUGANB-OAHLLOKOSA-N 402.524 1.820 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCSC)C1 1540892290 JEDGQFFAPFCPBM-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCO[C@@H](C)C2)C1 1540893115 XLFJKGGRSVPVAV-BSDSXHPESA-N 424.567 1.777 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCSC(C)(C)C1 1540901885 SPOUQQOWSNRZHY-UHFFFAOYSA-N 410.569 1.611 30 10 HDEE COCCCn1nc(C(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)ccc1=O 1540918576 RDHQFLGAFPEBFJ-UHFFFAOYSA-N 415.475 1.370 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1541096061 PPHKVYBHAKZEON-UHFFFAOYSA-N 412.494 1.464 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2CS(=O)(=O)C2)cc1 1544855635 VULLNTCSZHGGIL-KNTRCKAVSA-N 413.521 1.263 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC(F)(F)C1(OC)CCOCC1 1548185096 KSGZQVSCFJBLPQ-CQSZACIVSA-N 415.441 1.374 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CCCOC2CCOCC2)CCO1 1555993571 QEIOIEMJJZGKAQ-WMZOPIPTSA-N 405.499 1.487 30 10 HDEE C=CCN(C)CCN(CC)C(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C 1556466875 QCRQNIYFKFUKKM-KLHDSHLOSA-N 415.456 1.938 30 10 HDEE CCOC(=O)C1(C(=O)c2ccccc2)CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 1556678690 ODTLJIAWINTFSR-OAHLLOKOSA-N 409.446 1.766 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 1557131835 GHGBRVZLGRBGAX-IEBWSBKVSA-N 419.890 1.824 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C(=O)OCC 1557935292 XOUWAWWCTLVDHY-HNNXBMFYSA-N 405.838 1.448 30 10 HDEE C#CCN(C(=O)Cn1c([N+](=O)[O-])cnc1C)C1CCN(C(=O)OC(C)(C)C)CC1 1558370651 QJXJIBRHWKAERR-UHFFFAOYSA-N 405.455 1.961 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)c1 1558702410 RFEOIKMZLOKQEG-OAHLLOKOSA-N 418.475 1.632 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccc(NC(=O)OC)c([N+](=O)[O-])c1 1561734288 UXGQDMHLGOACLG-UHFFFAOYSA-N 400.457 1.902 30 10 HDEE CN1C(=O)CC[C@@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1564961905 YPYHZFJJDBXGOP-QGZVFWFLSA-N 406.446 1.085 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)N(CC)CC)CC1 1568757432 PBNDGWSAUGFZED-SFHVURJKSA-N 422.570 1.742 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1cn(C2CN(C(=O)OC(C)(C)C)C2)nn1 1584046281 ILEDJFHGRCDIFW-MRXNPFEDSA-N 406.487 1.157 30 10 HDEE CCc1nc(COc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)no1 1585138239 GDXXJNDAKBYAKD-LIRRHRJNSA-N 416.459 1.221 30 10 HDEE CC1(CNC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)CCC2(CC1)OCCO2 1585745602 UCTWBXVGZJUCLR-UHFFFAOYSA-N 407.492 1.165 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587857131 WDYNFRHVJDDMNR-QGZVFWFLSA-N 409.494 1.016 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(CS(C)(=O)=O)cc1 1588006110 DNOQIUAZWBJCFK-UHFFFAOYSA-N 415.519 1.063 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N(C)c2ccccc2)CC1 1588806281 LVWFMCPEXVCHCR-ICSRJNTNSA-N 421.549 1.509 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1588968912 RZXRODRDACYKHR-CDMIOBSGSA-N 415.538 1.647 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(N)=O)C1 1589134113 FFXHPOGQTLLVIA-JYJNAYRXSA-N 407.540 1.070 30 10 HDEE C=C(Cl)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1593834946 QZFRHXAPFQFJAW-GASCZTMLSA-N 410.883 1.663 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NN1C(=O)N[C@](C)(c2ccccc2)C1=O 1611130077 ZXHRIUHQXOGQNK-YCRPNKLZSA-N 414.462 1.792 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF 1611664129 XRBREPQEUBJEEK-VBNZEHGJSA-N 406.487 1.927 30 10 HDEE CCCn1c(CCC(=O)N2CCO[C@@](C)(C#N)C2)nc2cc(S(N)(=O)=O)ccc21 1611671441 WMRKMJDDOHGVBG-IBGZPJMESA-N 419.507 1.167 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CCO1 1618688495 AYNPUQCJDQUEAG-QGZVFWFLSA-N 412.494 1.441 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1619589711 IJZSAZARSYKBRV-HHXXYDBFSA-N 424.505 1.726 30 10 HDEE COCCCn1c(-c2cnccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1619846402 LZQQFNZCVSZVJM-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COC(OC)C(=O)N1CCN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC1 1620314704 ACMJNUJIOIRPDS-GOSISDBHSA-N 416.522 1.702 30 10 HDEE C=C(CCC(=O)OC)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1624042619 LHTZRFRGVYTIBE-UHFFFAOYSA-N 400.428 1.295 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCOCC3)CC2)cc1S(=O)(=O)NCC#N 1627321367 ANIYBFPNCHLRCN-SFHVURJKSA-N 420.535 1.124 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](Cc2ccccc2)C(=O)OC)s1 1628149577 ZAIDIDQLUIJBTI-MRXNPFEDSA-N 422.528 1.655 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CC(N)=O)c2ccccc2Cl)cc1 1630543863 LQHOZXVDWCWLTP-KRWDZBQOSA-N 419.890 1.598 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1 1631240796 MOAMJWLOVLNSIE-HXUWFJFHSA-N 420.531 1.547 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1632250690 WCUKEZKQJGFTSM-SJORKVTESA-N 421.542 1.147 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC3CCS(=O)(=O)CC3)CC2=O)cc1Cl 1632294158 FERACKNARWKEHA-AWEZNQCLSA-N 409.895 1.506 30 10 HDEE Cc1ccccc1-n1ncc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c1C(F)F 1633550439 QXHLCNHFLNIPNX-UHFFFAOYSA-N 414.372 1.682 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](O)(CC(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 1633610374 FJAXEXFRIIFXAZ-FQEVSTJZSA-N 412.450 1.839 30 10 HDEE C=CCOC[C@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)C(=O)OC 1634058681 LDYZTGMMVLKQLI-KRWDZBQOSA-N 403.479 1.659 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCOc2ccc3c(c2)CCCC3)CC1 1636480392 PCHJEVVOMDHPTG-UHFFFAOYSA-N 419.547 1.336 30 10 HDEE CC(C)(C)OC(=O)NCc1ncc(C(=O)N2CCN(c3cnccc3C#N)CC2)cn1 1637908767 HREOAJKHYCLMFR-UHFFFAOYSA-N 423.477 1.730 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1638339837 CXYOKFFQFGUKHU-HOTGVXAUSA-N 413.540 1.608 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)c1 1639121258 MFESWBSHJYNVPK-UHFFFAOYSA-N 406.504 1.193 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C1(CO)CC=CC1 1640335523 ZLPNLLPEYVLAPN-GOSISDBHSA-N 405.520 1.962 30 10 HDEE COC(=O)c1cc(C#N)c(=O)n(C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1 1640830184 CUIXUQOKGMABNN-KKSFZXQISA-N 417.462 1.923 30 10 HDEE COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)c1 1647997282 ACIFSCHXKSJMHT-SFHVURJKSA-N 418.475 1.025 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H]3C[C@H]32)c1 1653122887 DEBKJTMWNBPYFO-IAGOWNOFSA-N 419.503 1.432 30 10 HDEE O=C1C=COC2(CCN(CC(=O)Nc3ccccc3S(=O)(=O)C(F)F)CC2)C1 1656297653 FYMJSUCUWYDNLG-UHFFFAOYSA-N 414.430 1.959 30 10 HDEE Cc1ccc(C)c(NC(=O)Cn2c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c2=O)c1 1656779052 QJDQJHUIKAIDKC-UHFFFAOYSA-N 412.446 1.479 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1657840070 HNWGHEFNPSYNHW-UXLLHSPISA-N 411.524 1.933 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2sc(Cl)nc2c1 1660902893 WGOFJYOLBINJLD-JTQLQIEISA-N 404.922 1.761 30 10 HDEE CCN(CC)C(=O)CN1CCC(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1664162707 BXWZUVVQOIWYNQ-UHFFFAOYSA-N 412.943 1.823 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC)C1CCOCC1 1665155679 DJVJTROAIRCOND-MOEXGYKKSA-N 423.487 1.597 30 10 HDEE C#CCN(C(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)[C@@H]1CCS(=O)(=O)C1 1669134553 JTMQTQZLKYIIAH-QGZVFWFLSA-N 419.503 1.266 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)nn1 1674588286 WVBLFLOOVZUWQX-UHFFFAOYSA-N 406.512 1.291 30 10 HDEE C=CCc1cc(CNC(=O)NC[C@]23COCCN2C(=O)OC3)cc(OC)c1OC 1677641695 QMUFGEPWWVAVML-HXUWFJFHSA-N 405.451 1.453 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](O)Cc3ccccc3F)C2=O)cc1 1682022228 WGTPFIGNZCGBBR-AZUAARDMSA-N 410.449 1.701 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCC(c3nccc(-c4cccnc4)n3)CC2)n1 1682389700 OTWWOVUUNOIVJJ-UHFFFAOYSA-N 403.450 1.591 30 10 HDEE C#C[C@H](NC(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 1684035673 KZWBYXXFGLCYES-SXLOBPIMSA-N 404.555 1.437 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C1CCOCC1 1684187837 DIGPZADVWRRNLA-SJLPKXTDSA-N 401.463 1.039 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1 1685176896 GBVICBVOJWSPCM-AWEZNQCLSA-N 405.480 1.221 30 10 HDEE C#C[C@H](NC(=O)N1CCOC[C@H]1CNS(C)(=O)=O)c1ccc(Cl)cc1F 1686922744 OYSKKZHQMDUPJL-DOMZBBRYSA-N 403.863 1.113 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCc2ccccc2C1 1689861370 UMVVJZIHFZZFGD-GOSISDBHSA-N 406.534 1.917 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1689867650 VJNKIYXAGRZAQV-VWKPWSFCSA-N 419.526 1.959 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1690175227 SBWCNYYCYQVCEY-SJORKVTESA-N 403.552 1.740 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690253216 NUPXOBQXRMOXBF-RYRKJORJSA-N 412.556 1.809 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1690522685 KQFBTCDFASFFAN-WBVHZDCISA-N 419.555 1.505 30 10 HDEE CC(C)(C)OC(=O)N1CC(Cn2c(CC3CC3)nnc2N2CCO[C@H](C#N)C2)C1 1691217939 CAXQWMSBXWPVKO-MRXNPFEDSA-N 402.499 1.826 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705551713 CSTFSQHPYYOCMI-ROUUACIJSA-N 402.543 1.184 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCNC(=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1705559433 AOUHPDWPWJDNKJ-HNNXBMFYSA-N 423.583 1.365 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ncccc2N(C)C)CC1 1705638914 BBCITHKQKTZEGW-HXUWFJFHSA-N 409.538 1.784 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1705688641 WONAGPMZSVWKKN-MRXNPFEDSA-N 411.304 1.564 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705741308 MFJATGYKECDGTC-CVEARBPZSA-N 404.471 1.992 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)C1 1705924704 FUKWIZDNQXNSPG-SJORKVTESA-N 419.526 1.583 30 10 HDEE Cc1ccc(-c2nnc(N3CCCOCC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1707365571 OCXNAXOVPMWXPI-ZPHPHTNESA-N 412.450 1.600 30 10 HDEE CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1709944786 OKCILUNPEXKOEX-CQSZACIVSA-N 412.475 1.866 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@H](C)C#N)c(OC)n1 1711832804 DBOLGNQEGBAEHK-CYBMUJFWSA-N 401.471 1.473 30 10 HDEE COCC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1712330719 MRZTYOIEIVPBMJ-SAKMYQHLSA-N 411.478 1.232 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1CCN(C(C)=O)CC1 1712530093 GTGLBUNJXRHKNE-QRWLVFNGSA-N 422.505 1.703 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1722296135 NYOKPBPPWKUUHQ-CVEARBPZSA-N 421.567 1.477 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](N3CCCC3=O)C2)nnc1[C@@]1(OCC)CCOC1 1722340766 HTHHLPHXLBDIDE-XMSQKQJNSA-N 415.538 1.935 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(S(C)(=O)=O)CC1 1722347803 PXSPQFCYJKLNNR-UHFFFAOYSA-N 404.492 1.609 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)COCCO1 1722421281 KMUHZVYMGSIWPB-LEWJYISDSA-N 422.526 1.210 30 10 HDEE C=C(C)COCCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722537553 CGXCIEYIJDICKJ-FXAWDEMLSA-N 405.499 1.640 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NC)CC1 1722581642 WSJUGFHLVMVKIR-UHFFFAOYSA-N 403.531 1.578 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722628493 XMQDYRYNLVTXCM-KRWDZBQOSA-N 416.526 1.317 30 10 HDEE C=CCN(c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O)C1CC1 1722648375 PODLZASWISKBDQ-UHFFFAOYSA-N 405.480 1.378 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1722686941 ZKOVFDLPDVUJNG-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE CCCN1CCC(N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1728133604 MLGYNCMHROKYIX-VHEBQXMUSA-N 401.515 1.424 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCS(=O)(=O)C2)cc1 1730072098 FUYNJSMJXGZHEN-LIRRHRJNSA-N 419.482 1.830 30 10 HDEE C#CCN1CCC(C(=O)NC[C@H](NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)(C)C)CC1 1739106816 KIPDIKOTVQVCOS-XUFBONQXSA-N 401.551 1.402 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1OC 1740609976 QYVYRWRFPCLUQR-CVEARBPZSA-N 418.519 1.726 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1Cc1ccnc(-n2cccn2)c1 1740655960 GWPJCTKTNHYDQY-LJQANCHMSA-N 401.474 1.874 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740691696 BBFLBHMHNKWSGF-VQTJNVASSA-N 411.506 1.249 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)OC)CC1 1740704765 XETOWXRFMKXVAC-MRXNPFEDSA-N 411.506 1.954 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1740799824 XSWOJMDFZSEJFK-DJPFJPOOSA-N 419.526 1.311 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](CN2CCOCC2)C1 1740857047 BBSWAYDEHGSLKE-SFHVURJKSA-N 404.559 1.931 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1740888473 SSVCHKVFWHBKCL-INIZCTEOSA-N 422.555 1.451 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)nc1 1740930802 PXCBEQLTNJQGEF-GOSISDBHSA-N 423.521 1.688 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1740961188 OBTKOXIJSGNXIP-IRXDYDNUSA-N 411.462 1.594 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCCc2sccc2C1 1740963652 SHIMVPGEIHRHSW-UHFFFAOYSA-N 414.535 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1C1CCC1 1740986064 RFQHPZXXBUSEBF-MRXNPFEDSA-N 409.556 1.786 30 10 HDEE CC(C)NS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1741710519 CTITZLIRWUAIMZ-INIZCTEOSA-N 410.544 1.240 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1748864248 UHHGMRIQXCRIHH-KRWDZBQOSA-N 415.519 1.430 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2cccn2)c1 1748927544 SPKAIIMAYOKUEF-IBGZPJMESA-N 403.490 1.982 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(NC(=O)COC)CC1 1749031679 FXBRWLYFUHFXGY-UHFFFAOYSA-N 416.551 1.381 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCN1CCCS1(=O)=O 1749064657 FJSXXNWWAKUFOE-HXUWFJFHSA-N 414.535 1.676 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COc2ccc(F)cc2)nnc1N1CCNC(=O)C1 1749135883 JEJWEDJJKQMNNA-QRWLVFNGSA-N 415.469 1.914 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1749459454 KKMKNOGLMPVVNO-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1749663617 KTJQIQZOKMYCNN-MRXNPFEDSA-N 412.494 1.417 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4OCO[C@@H]4C3)n2CCOCC(F)F)cc1 1750385040 ZMJWZAHECKYELR-IYBDPMFKSA-N 421.404 1.572 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCNC(=O)C(C)C 1750957155 KBFZHXAKZLZONM-HXUWFJFHSA-N 403.531 1.709 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(F)(F)F)n1)[C@H]1CCS(=O)(=O)C1 1760180424 FFMMQXHFGHFEEC-AWEZNQCLSA-N 413.425 1.675 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(OC)CCOC1)[C@H]1CCS(=O)(=O)C1 1760182997 NXJYSIDYXXPWPJ-GJYPPUQNSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@]1(O)CCN(C)C1 1760194059 XXFVOGWYAFVDIL-HSZRJFAPSA-N 420.517 1.287 30 10 HDEE C#CCN(CC)c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(-n2cncn2)nc1 1760237377 HRLGGXCKOZDTRG-UHFFFAOYSA-N 416.493 1.623 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@H]1CCS(=O)(=O)C1 1760239580 NMNKVBWFMQSDSM-OAHLLOKOSA-N 406.483 1.890 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CCCN1CCN(CC)CC1 1760292469 ADZWBXPXHDAVHL-JOCHJYFZSA-N 410.570 1.698 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](OCCOC)C1 1760380967 UQTWWVPNQKEFNW-XHSDSOJGSA-N 400.907 1.996 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1760436109 IFHQVGPISMSMDQ-UHFFFAOYSA-N 421.571 1.895 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1cccs1)N(C)C 1760456057 GHMKHIMJBAEALU-UONOGXRCSA-N 412.585 1.875 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760457812 IITAOFASOGJIPU-CZIZESTLSA-N 403.446 1.965 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)CN1CCOCC1 1760489805 KLNRTDMZMQZQRF-GOSISDBHSA-N 402.543 1.661 30 10 HDEE Cc1cc(C)n(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)n1 1762473227 HRACXQPFELKGRR-PBHICJAKSA-N 419.555 1.680 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1768452298 DKIKUIACXZEXPF-AWEZNQCLSA-N 408.384 1.672 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(C(=O)C2CC2)CC1 1772567147 PMLGQBCPRLPBBT-KRWDZBQOSA-N 416.526 1.271 30 10 HDEE N#Cc1c(O[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)nc2sccn12 1849753264 QGTPGCNZFPQXTI-GJZGRUSLSA-N 407.455 1.658 30 10 HDEE CC[C@H]1Oc2ccc(Cl)cc2N(CC(=O)NCC#CCN2CCOCC2)C1=O 1850591575 XZRVIUMKQMBHSH-QGZVFWFLSA-N 405.882 1.296 30 10 HDEE C#C[C@@H](C)NC(=O)C1CCN(C(=O)c2nnn3c2CO[C@@H](c2ccc(C)cc2)C3)CC1 1851050772 NJAWTEKNRRNYTQ-OXQOHEQNSA-N 421.501 1.848 30 10 HDEE N#Cc1ccc(N2C[C@@H](OCCCS(=O)(=O)NCc3ccc(F)cc3)CO2)nc1 1851827265 FZSFVIIYHWLVPG-GOSISDBHSA-N 420.466 1.739 30 10 HDEE Cn1[nH]c(=NC(=O)c2cccc(C#N)c2F)nc1N1CCN(c2ccc(F)cc2)CC1 1851836753 IMDRCMBNNLSLGD-UHFFFAOYSA-N 423.427 1.966 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)CC1 1852662596 FMKLNZIAOBLLEC-UHFFFAOYSA-N 407.478 1.336 30 10 HDEE Cn1cccc1C(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)NOC[C@@H]1CCCO1 1853524281 MVFBSUKBHOSXET-AWEZNQCLSA-N 418.475 1.355 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN([C@@H]2CCN(Cc3nnc4n3CCC4)C2)CC1=O 1853856704 VXGAXCSNCRCWDW-IAGOWNOFSA-N 400.527 1.072 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)CC2CCC(=O)CC2)C1=O 1854113317 BXDRGWMTWLNKSC-RTBURBONSA-N 403.523 1.762 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)CC1 1855110357 ODFHVOBDNCAFJI-IAGOWNOFSA-N 402.495 1.608 30 10 HDEE N#CCCCN1CCN(C(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)C(=O)C1 1855546872 VGUOJBXYOYSOFG-UHFFFAOYSA-N 411.911 1.868 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(C(=O)c3coc(C)n3)[C@@H](C)C2)CCC1=O 1855826007 XGVQNWOVICOHHD-DOTOQJQBSA-N 402.495 1.861 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(F)c(Cl)c2)CCN1S(=O)(=O)CC#N 1856112774 GZUBZADGIFDBFH-UHFFFAOYSA-N 415.874 1.714 30 10 HDEE CN(CCC#N)[C@H]1CCCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)C1=O 1856414385 BSXRLCCLHZFIAK-QAPCUYQASA-N 400.454 1.932 30 10 HDEE C[C@H](CCC#N)N1CC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc21 1856686725 GUVPLTPAPFBCFT-RHSMWYFYSA-N 404.492 1.482 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cccnc2OCC)C1=O 1856748091 FCAOXBXZGCHVRF-SJORKVTESA-N 400.479 1.330 30 10 HDEE N#CCC1CCN([C@H]2CCCCN(C(=O)c3cnc4ccccn4c3=O)C2=O)CC1 1857196148 PRCBARDVMRQLKA-SFHVURJKSA-N 407.474 1.841 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1[C@H](C(=O)N(C)C)c1ccccc1 1857461633 WVVKKPHOBIUNNL-KXBFYZLASA-N 405.458 1.456 30 10 HDEE C=CCNC(=O)c1cn2c3c(c(N4CCN(C)CC4)c(F)cc3c1=O)OC[C@@H]2C 1860344258 SPDFFNKEIKCVHW-ZDUSSCGKSA-N 400.454 1.762 30 10 HDEE COCCN(CCOC)C(=O)CNC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868783063 OVUGBSRYKISDHN-QGZVFWFLSA-N 422.551 1.262 30 10 HDEE COc1ccc(CC(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870159927 BDYYWBRYEAVVEA-UHFFFAOYSA-N 416.397 1.555 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OCC(C)C)cn1CCNC(C)=O 1870425976 FWJRSSWIYPXDIP-UHFFFAOYSA-N 419.522 1.736 30 10 HDEE N#Cc1ccc(COc2ccc(S(=O)(=O)N3CCN(CCO)CC3)cc2)cc1 1872722171 SPNKJEKISQRPIU-UHFFFAOYSA-N 401.488 1.436 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccccc1O 1874429947 KGOLAUOYKHHESQ-KEBDBYFISA-N 404.496 1.463 30 10 HDEE C#CCN(CC#N)S(=O)(=O)c1c(N)cc(Br)cc1Br 1876534919 JSLYFKZLMLXSJN-UHFFFAOYSA-N 407.087 1.941 30 10 HDEE N#Cc1ccc(CNC(=O)c2c3c(nn2[C@@H]2CCS(=O)(=O)C2)CCC3)cc1F 1889212395 PFHQMUBREOVFQK-CQSZACIVSA-N 402.451 1.672 30 10 HDEE CCn1nccc1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889275534 YBVYYZABXOSCLB-UHFFFAOYSA-N 401.555 1.554 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3noc4ccccc34)CC2)CC1 1889495415 TXFMBKYNPYLIQP-UHFFFAOYSA-N 410.518 1.629 30 10 HDEE CC1(C)O[C@@H]2[C@H](COCc3ccc(C#N)cc3)O[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1 2054338563 QAPIUSQGRWFEHC-CNVJLJKISA-N 422.445 1.914 30 10 HDEE C=CCC1(NS(=O)(=O)N2CCC[C@H]2CO)CCN(C(=O)OC(C)(C)C)CC1 2174805437 USFIQCKFILIWHU-HNNXBMFYSA-N 403.545 1.623 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NC(=O)[C@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)C1 2243402420 HSBPMWGPPDGIHL-UONOGXRCSA-N 410.320 1.957 30 10 HDEE Cc1nc(NC(=O)CN(O)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2243697143 XBPSMIVPUUCEKU-UHFFFAOYSA-N 408.264 1.649 30 10 HDEE Cn1nc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247823287 MXFQUTSFZWHEGX-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)n1 2247915278 YRPCNEUQUODTCO-UHFFFAOYSA-N 420.319 1.412 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)NCc1ccccc1B1OC(C)(C)C(C)(C)O1 2248400789 BAQNUKSLDFSBOB-INIZCTEOSA-N 420.315 1.488 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCS(=O)(=O)NC1C[C@@H]2CC[C@H](C1)C2=NO 2258068251 CSXDRUOVYROMQY-PBWFPOADSA-N 405.476 1.611 30 10 HDEE C#CC12CC(CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2260226435 OGETZJOZHYNNHA-KOHRHEQBSA-N 406.460 1.184 30 10 HDEE C[C@@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282180649 VVOBWWGFLLJVOM-HIFRSBDPSA-N 403.288 1.389 30 10 HDEE C=CCNC(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304332 JIWNMRZKDGNHRZ-UHFFFAOYSA-N 420.749 1.281 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCCCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282319836 ZVEFMLZSBBVZFS-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N 2282330821 FUPXPPYVDSYJGV-DGCLKSJQSA-N 400.375 1.699 30 10 HDEE CC1(C)CNC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282340237 CTNNAJQQXLIJAW-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3(CN)CCCC3)s2)OC1(C)C 2282353789 JROUQHLKZAZKEI-UHFFFAOYSA-N 400.375 1.845 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCN[C@@H](C)C2)c1B1OC(C)(C)C(C)(C)O1 2282494314 YHTUHCRAQNIZEK-NSHDSACASA-N 400.375 1.647 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)N1CCC2(CC1)OCCO2 2282494874 DPUMEJWZHLEYRS-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE CS[C@@H]1CC[C@@H]1NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282501168 TXTJAPOLRYIOBB-NWDGAFQWSA-N 401.363 1.200 30 10 HDEE C[C@H](CCNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl)[S@@](C)=O 2282607239 VPHZKWXGASHHTE-RPHGYIDUSA-N 400.737 1.921 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3[C@@H]4COC[C@@H]43)cc2Cl)OC1(C)C 2282831440 KHORRLUQQCALKY-JGPRNRPPSA-N 419.761 1.871 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCC[C@H]2N)OC1(C)C 2282831572 ARUQIELUWOUSMF-KGLIPLIRSA-N 400.737 1.797 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1OCC[C@@H]1F 2282831780 DRBDHDAPUMEQLB-NWDGAFQWSA-N 405.322 1.761 30 10 HDEE CC[C@@H]1COC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282839996 KTSVWZREWBQVMY-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282847444 ZBCNCTUZRKMRCB-ZDUSSCGKSA-N 401.359 1.879 30 10 HDEE CC[C@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCCNC1 2282857634 KUTINGBVSAEDKT-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](CN)C(C)C)c1B1OC(C)(C)C(C)(C)O1 2282866261 GRJOZAABPZAYFK-CYBMUJFWSA-N 402.391 1.926 30 10 HDEE CN(C)CC1CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282866474 KFIOHDQBMMCKMM-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CSC[C@@](C)(O)CNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282869200 YXEIEMZFNKLJHY-KRWDZBQOSA-N 401.359 1.378 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284401166 FHAMOVSPIKXOND-WDEREUQCSA-N 401.315 1.497 30 10 HDEE CC(C)(F)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284402911 MQBQSKFVCIQFHM-LLVKDONJSA-N 407.294 1.527 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3COC(=O)C3)ccc2Cl)OC1(C)C 2296238388 FVOJZVDAELOULX-SNVBAGLBSA-N 401.677 1.233 30 10 HDEE CCOc1c(OC)cc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1OC 2323022855 SGWXSFUUPSZOIQ-UHFFFAOYSA-N 408.436 1.242 30 10 HDEE CCOc1ccc(C=Nn2c(CCOC)nnc2SCC(N)=O)cc1OCC 2331273769 RWOPEHXCVGTLBU-UHFFFAOYSA-N 407.496 1.724 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)n1 2363987934 OUERMEQBNXRIGU-KSSFIOAISA-N 413.565 1.727 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365206630 HWIPKAMWOQUZPC-BZUAXINKSA-N 402.557 1.552 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)COC[C@H](C)NC(=O)OC(C)(C)C 2367794463 HTOZLAWHARICNH-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)CN(C(=O)OC(C)(C)C)[C@@H]1CCOC1 2367795447 DWNQSPLLLSHVSV-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@H](COC)NC(=O)OC(C)(C)C 2367796435 IMXIEVDLXZVYMG-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367799636 BYBNHSHHJCDRJL-CRAIPNDOSA-N 400.541 1.748 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2367817489 NANYWFLSEDCLNH-CLCXKQKWSA-N 400.541 1.163 30 10 HDEE C=CCc1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc3c2=O)cc(OC)c1OC 50526421 YDEUGGUUDRJWPY-UHFFFAOYSA-N 409.442 1.752 30 10 HDEE CN1CCN(S(=O)(=O)c2ccccc2CNCc2cnc3ccc(C#N)cn23)CC1 237096589 OZQIYSFSGMMAKK-UHFFFAOYSA-N 424.530 1.432 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CC[C@@H](Oc3ccc(C(F)(F)F)cn3)C2)CCO1 409475695 JLGLLPJZANWSAO-CHWSQXEVSA-N 406.386 1.023 30 10 HDEE N#Cc1cc(NC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)ccc1Oc1ccccc1 426961687 CCDKPDIQPPNHBX-SFHVURJKSA-N 406.442 1.832 30 10 HDEE CCOc1ccc(NC(=O)c2ccc(C#N)o2)cc1S(=O)(=O)N1CCOCC1 427980724 CFDHTGBQUDPUGS-UHFFFAOYSA-N 405.432 1.823 30 10 HDEE Cn1ccc(N2CCC[C@@H](NC(=O)Nc3cnn(-c4ncccc4C#N)c3)C2=O)n1 462081905 ALSPWHZIZUGVPD-OAHLLOKOSA-N 405.422 1.190 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@@](C)(O)CC)nnc12 478541862 XCZWFZKYJOQYOS-IBGZPJMESA-N 401.492 1.600 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@H]3CCCO3)c2=O)n1 479390641 XEBPGXBNSNOVFL-OAHLLOKOSA-N 413.499 1.221 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@H]2CCCN(CC#N)C2)C1 479903151 PEPDMTNFOTXMPD-IAGOWNOFSA-N 423.539 1.044 30 10 HDEE CC1(C#N)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 509407557 PMGPCXKINOUHNS-UHFFFAOYSA-N 407.492 1.669 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCOc2ccc(Cl)cc2[N+](=O)[O-])CC1 523902654 SGXZLQWWOIWADT-UHFFFAOYSA-N 410.858 1.464 30 10 HDEE Cc1ccc2c(n1)OCCN2C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 540443686 HAAAQQVFJJZORZ-MRXNPFEDSA-N 405.414 1.892 30 10 HDEE COCCCS(=O)(=O)NCC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541141634 CINKFLRZFIBDSV-UHFFFAOYSA-N 411.871 1.292 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccc(OCC)n2)CC1 555238211 HIQOWXBPWHIMMG-UHFFFAOYSA-N 414.514 1.508 30 10 HDEE N#CCN(C(=O)[C@H]1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)[C@H]12)C1CC1 562241168 JQGXOGPFBAZPND-BUAHTRFOSA-N 401.466 1.980 30 10 HDEE COc1ccc(NC(=O)C(=O)NCC2CCN(c3nccnc3C#N)CC2)c(OC)c1 585226787 ALBFPXGAEITCJJ-UHFFFAOYSA-N 424.461 1.337 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 611916205 QNQZTSMQEAAAGU-UHFFFAOYSA-N 404.495 1.821 30 10 HDEE N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCCN(S(=O)(=O)C3CC3)CC2)cc1 619821152 VTMIRTMDEOGECU-IBGZPJMESA-N 402.520 1.554 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3)cc2OCC=C)CC1 673733394 XMDUFVXWRDCILJ-UHFFFAOYSA-N 409.490 1.497 30 10 HDEE N#C[C@@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 694591726 RLZZRZWRLTWORA-QMMMGPOBSA-N 406.201 1.524 30 10 HDEE C#CCN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[C@H]1CCS(=O)(=O)C1 729332362 NVCGMKPCOSVFNI-IBGZPJMESA-N 408.483 1.742 30 10 HDEE C#CCN(C(=O)c1cnc2c(cnn2Cc2ccccc2)c1)[C@@H]1CCS(=O)(=O)C1 729332364 NVCGMKPCOSVFNI-LJQANCHMSA-N 408.483 1.742 30 10 HDEE C#CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@H]1CCOc2ccc(Br)cc21 733112505 KQJBPIPEYMAVKA-ZDUSSCGKSA-N 420.223 1.934 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)O[C@@H]1CCN(c2ccccc2Cl)C1=O 741342184 FZPHMHWJPKMNIZ-BQASMSSTSA-N 403.822 1.905 30 10 HDEE Cc1cccc(S(=O)(=O)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 744007119 BOSTXHUMWJHNAQ-CYBMUJFWSA-N 421.500 1.317 30 10 HDEE CNC(=O)c1cccc(COC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 745494990 DTGRJTKNSRJZJG-ZDUSSCGKSA-N 415.471 1.607 30 10 HDEE C#CCN(CC(=O)Nc1c(F)cc(F)cc1Br)[C@H]1CCS(=O)(=O)C1 745984762 ZNZZESQLASYTTO-NSHDSACASA-N 421.263 1.788 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 752614337 LAJXZOUKJCQNMP-KUHUBIRLSA-N 409.508 1.638 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 764430734 NBGOOBZHLZRWOT-UHFFFAOYSA-N 400.395 1.438 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 764549916 KEJPHXQTSUXINC-DLBZAZTESA-N 423.558 1.261 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)c1 765186090 HLCOGEILXNFUAJ-DZGCQCFKSA-N 404.410 1.374 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC[C@H](C)[S@](C)=O 766734201 DXJWTYWCPPCQFT-NVJDNPAZSA-N 413.565 1.413 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)cc1 768070845 HGJSBPZGDBFAFW-KRWDZBQOSA-N 415.519 1.039 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cc(Cl)cc(Cl)c1 771889276 AIPSVCLZEQBEGR-UHFFFAOYSA-N 405.263 1.093 30 10 HDEE C#CCN(C(=O)NCc1ccc(OC(F)F)c(OC)c1)[C@@H]1CCS(=O)(=O)C1 774148047 MPRDGKZSEQWLCG-CYBMUJFWSA-N 402.419 1.629 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)OC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 774235753 UBUTURNIABUIHR-KRWDZBQOSA-N 406.504 1.974 30 10 HDEE C#CCN(C(=O)N[C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 774263371 IIJZNVOOORBWOS-NUJGCVRESA-N 423.922 1.444 30 10 HDEE C#CCN(C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCS(=O)(=O)C1 787343094 YVTVTWNQYIXBSF-ZDUSSCGKSA-N 419.381 1.946 30 10 HDEE Cc1ccn(-c2ccccc2CNC(=O)C(=O)NCCNc2ncccc2C#N)n1 787790027 INGYNMQUBQIJNB-UHFFFAOYSA-N 403.446 1.292 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)n1 789105452 JSWRGQKDKBLEAC-GOSISDBHSA-N 401.511 1.465 30 10 HDEE C[C@@H](OC(=O)[C@](C)(O)Cn1ccccc1=O)C(=O)N(CCC#N)c1ccc(F)cc1 790682534 KTCGBZMQMMBHKW-QVKFZJNVSA-N 415.421 1.617 30 10 HDEE Cc1c(CN(C)C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cnn1C 791081255 AVTPNFPZFWERDY-UHFFFAOYSA-N 417.535 1.986 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 794607613 AZRGMNLPFMFAHO-AWEZNQCLSA-N 420.494 1.391 30 10 HDEE C#CCC[C@H](O)CNS(=O)(=O)c1cc(Br)ccc1OCCOC 798485690 IZBZGTAHNZCCKO-ZDUSSCGKSA-N 406.298 1.527 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)N2CCC(C#N)CC2)cc1 806747740 FWLIQKYCKSGAJO-AWEZNQCLSA-N 402.451 1.762 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 811523583 FCLYHFOULDQCMF-KRWDZBQOSA-N 416.499 1.733 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cc(Br)ccc2O)c1 811524269 XVNHTZVTUYEMLH-UHFFFAOYSA-N 424.276 1.621 30 10 HDEE C#C[C@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812933864 BSVGCMWOVZHHLK-KRWDZBQOSA-N 420.422 1.686 30 10 HDEE C#C[C@@H](NC(=O)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1 812933865 BSVGCMWOVZHHLK-QGZVFWFLSA-N 420.422 1.686 30 10 HDEE CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn(CC(F)F)c2)c1=O 814249250 KRWOHWJRYPSAFV-UHFFFAOYSA-N 406.458 1.654 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCN(O)C3=O)CC2)c(C)c1 816696310 WFZMGLPDQRIXGO-INIZCTEOSA-N 409.508 1.119 30 10 HDEE COc1ccc(CN(C(=O)CC2(C#N)CCOCC2)[C@H]2CCS(=O)(=O)C2)cc1 1124965297 LQOADCQLZOWTPB-KRWDZBQOSA-N 406.504 1.921 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nn1 1130018903 UNJMSCRXBASFNZ-INIZCTEOSA-N 423.477 1.987 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1134279944 SXLBZWBHCYIOKN-BWMZKYQQSA-N 423.535 1.420 30 10 HDEE C#CCN(C(=O)c1cc(CNC(=O)OC(C)(C)C)n(C)c1C)[C@H]1CCS(=O)(=O)C1 1136355524 ZHNDBNYTZGTFLI-HNNXBMFYSA-N 423.535 1.621 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@]2(C)CCCS2(=O)=O)n1 1136554069 FQFGJUZHRAMRGY-OAHLLOKOSA-N 413.550 1.706 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(C(=O)CNc2ccc(C#N)cn2)CC1 1136660350 MGWJYHNHOYDNIQ-UHFFFAOYSA-N 400.527 1.452 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCN(CC(F)F)C2)cc1S(=O)(=O)NCC#N 1153099395 RTBZKBSXMAHINO-ZDUSSCGKSA-N 400.451 1.114 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](CCF)C(=O)OC 1164508290 XWIQAWKCRXHPGJ-KBPBESRZSA-N 413.471 1.301 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCO[C@](C)(C#N)C1 1179393620 CPVZFOYSGVOOKX-RRCVZVDDSA-N 423.560 1.839 30 10 HDEE COc1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)sc1S(N)(=O)=O 1179406894 ZNMHBPIIJKLLMQ-CQSZACIVSA-N 407.473 1.489 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(F)(F)C1(O)CCCCC1)c1cc[nH]n1 1180472889 UMEMJKXJGWQUFZ-UHFFFAOYSA-N 402.398 1.140 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(OCCOC)c(Br)c1)[C@H]1CCCO1 1189432820 YPNIWZGIXZMZLR-GOEBONIOSA-N 418.309 1.933 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3ccccc3O)CC2)c1 1191788806 AIJXBJYTKLAQIK-UHFFFAOYSA-N 406.442 1.480 30 10 HDEE Cc1cc(C)cc(OCC(=O)N2CCN(Cc3cc(O)n4ncc(C#N)c4n3)CC2)c1 1192251806 DVRYOQFCDLQRAD-UHFFFAOYSA-N 420.473 1.647 30 10 HDEE CCCCn1c(CN2CC(O)(CC#N)C2)nc2c1c(O)nc(=O)n2Cc1ccccc1 1193712717 BQRVBWZMRWMTQP-UHFFFAOYSA-N 422.489 1.607 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1286395870 SQPWHMIDBHNNIB-DLBZAZTESA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1OCCOC 1286407831 SFKPXEOOAHYEJQ-IBGZPJMESA-N 421.501 1.684 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[C@H]1C[C@H](F)C1 1286447610 NCOAHZNPEMJUAY-JYJNAYRXSA-N 413.519 1.209 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ncccc2C)CC1 1286485716 VQJMMZBGDIYCCK-ICSRJNTNSA-N 410.522 1.509 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1286506245 HFHBMDURXZNUOT-HOTGVXAUSA-N 412.581 1.900 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@H]2C1 1286615463 NNLJLKJPMALJID-OTWHNJEPSA-N 421.542 1.116 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CCS(=O)(=O)C1 1286726843 JDWDWVBDMQOCTF-YOEHRIQHSA-N 404.492 1.848 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2cccc(F)c2)CC1 1286776506 COYAEVUEGXWJBU-UHFFFAOYSA-N 412.469 1.688 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1286783475 SBDRRGAVRVTXDW-IBGZPJMESA-N 410.522 1.915 30 10 HDEE C=CC1(CC(=O)N2CCN(Cc3cnn(C)c3)CC2)CN(C(=O)OC(C)(C)C)C1 1292886975 GTUDCLNAYPLMAB-UHFFFAOYSA-N 403.527 1.878 30 10 HDEE CCc1nnc(N2CC[C@H]([C@@H]3CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1292950194 OHTHFKQIROPLTA-VVWDJWGFSA-N 400.483 1.230 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCCNC(=O)c1occc1C 1297157743 RQZDRNJXMNCEIE-IBGZPJMESA-N 404.446 1.978 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1297585225 AIDRDXVKYMFUBY-MRXNPFEDSA-N 419.507 1.389 30 10 HDEE CO[C@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](NC(C)=O)C2)CCOC1 1299799680 BMSFFFIBIAWAPW-UGKGYDQZSA-N 424.505 1.727 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300286200 FUKDHMLBIUNZPP-PXAZEXFGSA-N 409.899 1.001 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1300631898 XXCJSMQUPDMZNL-JTQLQIEISA-N 411.272 1.627 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300663923 JDUPIFNVSUVGOF-RTBURBONSA-N 414.554 1.869 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CCn1cncn1 1300675626 UTJLDVCCXNOUOO-UHFFFAOYSA-N 404.478 1.728 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1300733613 LHBRLGNBWWORDU-PKOBYXMFSA-N 418.611 1.757 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)CC1 1300768125 GYANBUDPTQUDSB-UHFFFAOYSA-N 408.480 1.386 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCCc2ccccc2)n1CCS(=O)(=O)NC 1300813121 AQXKERPCJAHUTI-OAQYLSRUSA-N 415.563 1.995 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@@H](CNC(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 1300950437 IGESOEYSQOWNCJ-MGPUTAFESA-N 410.515 1.489 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1301018084 UOQPBGJYVPNHPL-ICIURTGMSA-N 403.936 1.238 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC(=O)N(CCOC)C1)C1CC1 1301327258 PBZIOOQGHITMEZ-DLBZAZTESA-N 403.527 1.822 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1301474664 FFGHQUZWUGQLEL-RYRKJORJSA-N 424.509 1.565 30 10 HDEE COCCN(CCC#N)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1CC1 1301806352 DQMCSFKNAIFXFD-UHFFFAOYSA-N 407.478 1.968 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1301967240 BNIITVWFKFIDHA-HOCLYGCPSA-N 410.544 1.397 30 10 HDEE COCCOCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@](F)(C#N)C1 1302229201 BSGWRNOUAGXXMO-SFHVURJKSA-N 422.486 1.375 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCC(F)F 1303626978 AWSNVCZGTOPJRC-LLVKDONJSA-N 406.397 1.045 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCCOC(F)(F)F 1303807441 OQBZJSSXZPZEJV-MNOVXSKESA-N 412.438 1.553 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C2=O)cc1 1312485540 LKAXURPHDCSNGS-SUMNFNSASA-N 416.425 1.664 30 10 HDEE CCCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1313492200 ALVFLAHFHBOINH-OAHLLOKOSA-N 423.525 1.449 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1314672073 WXELJAMVUCSBAU-UHFFFAOYSA-N 411.510 1.097 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)C1 1323729464 OUHWESNGHXFUSX-CYBMUJFWSA-N 406.501 1.941 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1358910111 DIHPLVLRGBPIKT-UHFFFAOYSA-N 421.509 1.607 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCCN(S(C)(=O)=O)CC1 1358932073 XLHPLAQYRGJQMX-UHFFFAOYSA-N 419.526 1.893 30 10 HDEE C#CCN(c1nnc(C(=O)Nc2ccccn2)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1358955494 MWYAZBNDUOFPKJ-SOUVJXGZSA-N 414.491 1.133 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1ccc2c(c1)OCO2 1358970365 MVAKTNLXCWPPHQ-QFIPXVFZSA-N 408.458 1.780 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@@]1(O)CCO[C@@H]1C 1359026368 VQXUZAVHTQYXQM-VGSWGCGISA-N 424.505 1.143 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](OCCOC)C1 1359083001 ZPSBXLMPVGYUEZ-STQMWFEESA-N 414.304 1.380 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(COC)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359305807 NNUIDKKCOMYHDO-OAQYLSRUSA-N 421.542 1.484 30 10 HDEE Cn1ncc(Br)c1CC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1435127179 CKSOOUQUVBZOBT-OAHLLOKOSA-N 402.296 1.962 30 10 HDEE CC(C)(C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccc(C#N)cc1 1435211906 HYUMUCSPBYHHFT-UHFFFAOYSA-N 419.547 1.925 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1440438902 RWICISDWIZAYMC-SFHVURJKSA-N 407.536 1.607 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@]34CCCC[C@@H]3OCC4)CC2)cc1 1441015445 XPISHNJGMZDZJP-ICSRJNTNSA-N 403.504 1.740 30 10 HDEE COCCN1CN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1448281642 ALRXRCDTZWAEDK-RDYUPDBUSA-N 406.483 1.048 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1456319654 MJNIDUUUNGAHEL-SECBINFHSA-N 401.370 1.616 30 10 HDEE CC(C)(C)OC(=O)C1(C)CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 1457875233 MTGBRQKTOYIFIO-UHFFFAOYSA-N 421.519 1.807 30 10 HDEE CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1cc(C#N)ccn1 1459113672 TVBSAVDPFFLKRP-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC(=O)Nc4cc(C(=O)OC)ccc43)cc2C1=O 1460471328 LQCZWJDLZIFJLN-UHFFFAOYSA-N 419.393 1.854 30 10 HDEE CO[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1Br 1463162574 CDSPYYAUHRTDFV-HZUKXOBISA-N 413.293 1.533 30 10 HDEE C=CCN([C@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@H]1CC(=O)N(CC)C1 1463518932 MJPMNLLJFSSGAW-ZWKOTPCHSA-N 408.520 1.599 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(S(N)(=O)=O)c(Cl)o2)CCN1Cc1ccccc1 1465074827 ZSYFSZJESTWEQE-CYBMUJFWSA-N 408.867 1.431 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)nn1 1470672778 YDLMRVYEYHIUIL-UHFFFAOYSA-N 407.478 1.583 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2cn(C3CC3)c(=O)nc2O)CC1 1471199942 OVOBIGJNYSMXTM-UHFFFAOYSA-N 400.464 1.249 30 10 HDEE CC(C)(C)OC(=O)N1CCC2(CC1)CC(C(=O)NC[C@H]1CCCN(CC#N)C1)=NO2 1472518084 AAUUGZSQDYTMKW-MRXNPFEDSA-N 419.526 1.884 30 10 HDEE N#Cc1ccc([C@@H](C(N)=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1473680142 LGFCCHSYABYAOS-FQEVSTJZSA-N 406.490 1.591 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN([C@@H](C)C(=O)Nc2cccc(C#N)c2)CCO1 1473683232 NYWBLEDQYZZMNW-BTYIYWSLSA-N 403.479 1.944 30 10 HDEE C=CCCn1cc(CN2CCCN(S(=O)(=O)c3ccc(OC)cc3)CC2)nn1 1474320908 TXHUUSIIOPCEDQ-UHFFFAOYSA-N 405.524 1.759 30 10 HDEE CN1CCC(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)(N2CCOCC2)CC1 1475389955 FMJGNOXCHDTCPO-UHFFFAOYSA-N 412.943 1.287 30 10 HDEE CC(C)(C)OC(=O)N(CCO)C1CCN(S(=O)(=O)c2ccc(C#N)nc2)CC1 1475560817 AFRADFCLXQCYFM-UHFFFAOYSA-N 410.496 1.336 30 10 HDEE CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)c(F)c1 1475596305 ALOJALHDGXIUHZ-UHFFFAOYSA-N 418.516 1.197 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Cl)ccc2SC)CC1 1476043899 DEPKXHLOIGWIDE-UHFFFAOYSA-N 402.929 1.679 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C(=O)NCc2ccc(C#N)c(F)c2)CC1 1478822698 BSQXLBPCSDBXIO-HNNXBMFYSA-N 401.486 1.972 30 10 HDEE N#Cc1cn(CCNC(=O)NCCc2sccc2Br)c(=O)nc1O 1479185185 BCRNVTZBMXRSQW-UHFFFAOYSA-N 412.269 1.186 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1493171621 WNYMEMMCJBRLPM-VFNWGFHPSA-N 410.478 1.289 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCC(F)F 1507522300 BZTXBBDEBVAZEF-CYBMUJFWSA-N 402.409 1.660 30 10 HDEE C#CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OCC)CCOC1 1507573846 JTDYPZNYQSJJEB-LPHOPBHVSA-N 410.540 1.357 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1csc(CC)n1)[C@H]1CCS(=O)(=O)C1 1507633472 DYUTYHIFXATNFX-INIZCTEOSA-N 419.576 1.925 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1cccc(F)c1 1507654373 ZXDQFKJEJPKOJH-MRXNPFEDSA-N 416.478 1.471 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCCC(=O)NC2CC2)CC1 1507724546 GPUCTBGUGITQAO-UHFFFAOYSA-N 422.533 1.768 30 10 HDEE C#CCSCCn1c(CC(C)C)nnc1N1CCC(CNS(C)(=O)=O)CC1 1507753006 HINKTNGEEXXSTO-UHFFFAOYSA-N 413.613 1.609 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@H]2C1 1507829672 INQFDHLCLWUUOM-CVEARBPZSA-N 401.515 1.388 30 10 HDEE C=C1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCN2S(C)(=O)=O)CC1 1507882965 PQYAFFUUMJWBKT-QGZVFWFLSA-N 402.524 1.921 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1507946812 XANSJAKZNUCNOM-INIZCTEOSA-N 410.482 1.468 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1507955252 WYPUTVKVJHKBTG-KRWDZBQOSA-N 409.556 1.499 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1 1508091666 NTYFUYVMPFHVGK-MRXNPFEDSA-N 404.559 1.910 30 10 HDEE CCCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(C#N)C1 1515129621 LYFKRXUEKYUMCA-KNBMTAEXSA-N 404.515 1.658 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1515777693 FYWCELAIQKGZMV-OAHLLOKOSA-N 404.478 1.748 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@](C)(C#N)C3)n2C[C@@H]2COCCO2)CCOC1 1516194792 HJPJOCADUHSGOA-NSISKUIASA-N 405.499 1.476 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)c(OC)n1 1518270290 CQVPMOHJSALSDK-MRXNPFEDSA-N 421.461 1.838 30 10 HDEE COCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C)(C#N)CC1 1519409760 DRQKYEJQDAENBE-IRXDYDNUSA-N 407.515 1.795 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)OCc1ccccc1S(=O)(=O)N1CCOCC1 1524010791 NCMAMIHYZKAABR-QGZVFWFLSA-N 410.492 1.222 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1539371819 JWRWARXFGTVIPG-IBGZPJMESA-N 406.483 1.017 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCC[C@@H]2OC)CC1 1539428643 VHGMFYBTLPMVHN-ROUUACIJSA-N 423.521 1.496 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCCNC(C)=O)CC1 1539436693 ZCWUFUKEYCKBJX-UHFFFAOYSA-N 400.914 1.880 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOCCCC)CC1 1539451950 GLXKYXXIHWLTCG-SFHVURJKSA-N 423.583 1.142 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2ccc(C)nc2)CC1 1539482099 RDBAKLSWRHOHTM-FQEVSTJZSA-N 422.533 1.890 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1539517040 HFLVYDKCZFPGQF-FGTMMUONSA-N 406.552 1.923 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539619477 GETZNDCXYXLVKG-LPHOPBHVSA-N 417.514 1.419 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C(=O)NC)C1 1539631873 NZOIJHRWOZSIMZ-OWSLCNJRSA-N 419.526 1.105 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ccc(O)cc2)CC1 1540868955 XJNJDKHLBIZNQY-UHFFFAOYSA-N 407.478 1.608 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2conc2COC)C1 1540890322 CRAHHTPCWQGGET-CABCVRRESA-N 402.455 1.193 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1CC 1540907929 MUMKRWXIZKBLRQ-ULQDDVLXSA-N 412.556 1.982 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCCNc2ncccc2C#N)n1 1544056656 YOSXAMQMFVKRCZ-UHFFFAOYSA-N 413.482 1.906 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1544339104 OALOWUIANPZKGN-HNNXBMFYSA-N 400.884 1.931 30 10 HDEE Cn1ccc(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)n1 1554341367 DNOBJKJUTGBYQD-MRXNPFEDSA-N 417.539 1.286 30 10 HDEE COc1ccccc1OCc1nnc(N(C)C[C@H](C)C#N)n1C[C@]1(C)CN(C)C1=O 1555094031 ZHGNVPJVBKCBRK-VFNWGFHPSA-N 412.494 1.940 30 10 HDEE O=C(CCCS(=O)(=O)c1ccc(Br)cc1)N[C@@H]1CCCN(O)C1=O 1556782790 SNUQXKFQAJBQFI-CYBMUJFWSA-N 419.297 1.499 30 10 HDEE CC(C)(CC#N)CNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1556957820 PWMYSXQXMADVIS-KFWWJZLASA-N 413.540 1.713 30 10 HDEE C#CC[C@@H](NC(=O)CCc1nc(C2(NC(C)=O)CCCCCC2)no1)C(=O)OC 1556970696 FNJAYVXTWKJWFB-OAHLLOKOSA-N 404.467 1.369 30 10 HDEE CC(C)OC(=O)C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C 1557252063 GIFAACQUHFNRPA-YOEHRIQHSA-N 409.508 1.708 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 1558329048 JUIQFTCLUHKWFJ-SFHVURJKSA-N 405.564 1.866 30 10 HDEE C=CCOC[C@H](NC(=O)C[C@H]1C(=O)Nc2ccc(Br)cc21)C(=O)OC 1568154422 IROIIOXUQLTROV-OCCSQVGLSA-N 411.252 1.735 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)cc1 1570813727 MMVKNFLJJYZYBV-QGZVFWFLSA-N 408.520 1.942 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(Br)c2)n1Cc1nnn(C)n1 1587574946 NSMHAZIHMTVGDZ-NSHDSACASA-N 401.272 1.737 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(OC)CCOC1 1588128913 UWOJHXNRJWKRKH-JOCHJYFZSA-N 418.457 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1588238342 RHBMWYIAYQAVTF-UHFFFAOYSA-N 423.492 1.753 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588412530 GHCWWICAKQDXNG-INIZCTEOSA-N 414.897 1.970 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(CCOC)CC2)CC1 1588751561 MCAVVRQGJKEYQS-QFIPXVFZSA-N 417.554 1.502 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1594868514 ZVURNVVEWDVZSG-HXUWFJFHSA-N 400.483 1.483 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)Cc3csc(N4CCOCC4)n3)C2)nc1 1596979066 WDRRITTYHINUFW-MRXNPFEDSA-N 412.519 1.892 30 10 HDEE CC(C)[C@@H]1OCCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1603169860 CTTOKQORTPWKLY-UWVAXJGDSA-N 416.526 1.580 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)no1 1611949020 FMDMSIRETMZXBD-QGZVFWFLSA-N 412.475 1.785 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCC[C@@]12NC(=O)NC2=O 1618620978 IIOPRDOMVPPMJY-PJSUUKDQSA-N 408.499 1.731 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H]1CCC2(C1)OCCO2 1619989079 BCPRKDMEHHMMFO-GJYPPUQNSA-N 423.489 1.987 30 10 HDEE N#Cc1ccc(N2CCC(NS(=O)(=O)c3c[nH]nc3C(F)(F)F)CC2)nc1 1621745972 AHKKNMICJIXZSA-UHFFFAOYSA-N 400.386 1.642 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(SC)ccc2Cl)CC1 1626256205 RFZOOCREODDXGH-UHFFFAOYSA-N 402.929 1.679 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCN(c2c(F)cccc2F)CC1)c1cc[nH]n1 1627418567 AQZDGPUGMCWGMI-UHFFFAOYSA-N 421.404 1.321 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(OCCOCCOC)c(Br)c1 1627881434 CBMBFYJSLDIWJH-GFCCVEGCSA-N 401.257 1.607 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1 1628385836 GIUMWQMIUNXPDU-BAOKRACBSA-N 406.446 1.150 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N[C@](C)(C#N)C2CCCCC2)cc1 1629384856 FCELWABWJGKLNO-LJQANCHMSA-N 406.508 1.902 30 10 HDEE CO[C@@H]1COC[C@H]1NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1630992675 UIIWMQJCCFBYKQ-KURKYZTESA-N 401.463 1.923 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2C(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1635510896 GTPLJAAKIGHUJE-QUJCMNEKSA-N 405.476 1.058 30 10 HDEE C#CCC1(O)CCN(C(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 1636664881 SSUSSQYIHKNWDA-SFHVURJKSA-N 416.474 1.611 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 1638067814 VXFDOUFFESXYGB-NRFANRHFSA-N 413.499 1.420 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H]2C[C@H]1C[S@@]2=O 1639697844 QSJDCLUJUBCOOL-SYMLIENRSA-N 409.533 1.017 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCc1ccnc(C#N)c1 1640009986 XMYRYDCUGWZCQJ-KJEVXHAQSA-N 406.364 1.555 30 10 HDEE CCOC(=O)CC(C)(C)CC(=O)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1640257143 KQHXUGYZFQWWGD-UHFFFAOYSA-N 408.476 1.623 30 10 HDEE C#C[C@H](NC(=O)c1cn(CCCCNC(=O)OC(C)(C)C)nn1)C1CCOCC1 1641858595 TYPUNEHHNBNXCN-INIZCTEOSA-N 405.499 1.741 30 10 HDEE Cn1c(N[C@@H]2CCOC3(CCN(Cc4ccccc4)CC3)C2)c(C#N)c(=O)n(C)c1=O 1643177677 QZBSOKLDEYVTQF-GOSISDBHSA-N 423.517 1.581 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)ccc(Br)c2C)CC1 1643372223 BJLFXQFBMHIFEU-UHFFFAOYSA-N 414.325 1.291 30 10 HDEE N#CCCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 1643821879 FXLUKNUCBOELOS-UHFFFAOYSA-N 404.536 1.923 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 1644942667 FBNFSNWZFNFLBH-YESZJQIVSA-N 412.552 1.026 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 1644943232 UQWIZCRGSPJFHS-AWEZNQCLSA-N 404.529 1.244 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CCN(C)C)c2cccnc2)cc1S(=O)(=O)NCC#N 1645042312 ACZQJORKNJZBIH-SFHVURJKSA-N 415.519 1.615 30 10 HDEE COc1cc(C=O)c([N+](=O)[O-])cc1OCC(=O)N1CCC2(CC1)CC(=O)C=CO2 1648004874 FJGPEKDFQVMZOV-UHFFFAOYSA-N 404.375 1.659 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@H](O)c2c(C)nn(C)c2C)CCCN1C(=O)OC(C)(C)C 1648764217 XDNQPVMRRZWINO-KKSFZXQISA-N 404.511 1.980 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)Nc2cc(C#N)c(F)cc2C)[C@H](C)O)cc1 1651372540 MMLHKBBXYXFDCX-UGSOOPFHSA-N 405.451 1.981 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cc(F)ccc1N(C)C 1653978911 HHOJUJGAQJLCQA-CYBMUJFWSA-N 404.467 1.919 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN(Cc1ccccc1)[C@]1(CO)CCOC1 1654431478 ULZAXFMDCVPHAV-DEOSSOPVSA-N 404.466 1.940 30 10 HDEE Cn1c(=O)[nH]c(NC[C@@]2(C(F)(F)F)CCCN2C(=O)OC(C)(C)C)c(C#N)c1=O 1655871016 ZTMPAEJHAMBPGQ-MRXNPFEDSA-N 417.388 1.689 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 1662927655 KYXCSLBEZDDYFC-INIZCTEOSA-N 423.512 1.815 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 1664414840 TVHCYAJISSDHGA-UHFFFAOYSA-N 424.466 1.698 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(/C=C\C(=O)OC)cc(OC)c2OC)C1 1665457301 MSFONWRKENGRPM-HLRDLLSLSA-N 422.503 1.266 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 1668614822 LJZSPYBVHSNQEV-UHFFFAOYSA-N 409.508 1.983 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1c(C)nn2cc(Br)cnc12 1670709666 KHJCTRHOYZNGKW-LBPRGKRZSA-N 401.286 1.507 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1)C1CC1 1671944995 OICIDPRJIMYXME-LIRRHRJNSA-N 402.476 1.604 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@H](C)O1 1676296663 GZUJMERKAHDASQ-IRXDYDNUSA-N 400.527 1.673 30 10 HDEE N#CCOc1ccc(CNC(=O)N2CCc3c(cccc3S(N)(=O)=O)C2)cc1 1678179782 BMOFEYKJURRBFW-UHFFFAOYSA-N 400.460 1.504 30 10 HDEE C#CC[C@H](COC)NC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1679140415 SWDWBMNHOSSOEJ-CQSZACIVSA-N 423.311 1.887 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccccc2OC(C)(C)C)CC1 1679450721 ROVSVGSOEYWZTF-UHFFFAOYSA-N 408.524 1.159 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1c2ccccc2C[C@H]1CNC(=O)C(F)(F)F 1680684764 HESFCQYSTLCRJZ-ZDUSSCGKSA-N 419.425 1.407 30 10 HDEE CCn1cc(CNC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(O)nc1=O 1684851055 CQAPNOUOKSHRCG-UHFFFAOYSA-N 410.478 1.258 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2CC)CC1 1686634488 UQMSVOMLNCIHDJ-IBGZPJMESA-N 414.550 1.825 30 10 HDEE CCO[C@H](CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)CN(C)C 1687556503 HNEUHJDGRYMIGR-LJQANCHMSA-N 401.511 1.885 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1ccco1)N1CCCC1 1689945562 GAJMPKCWMVWNHP-HOTGVXAUSA-N 420.539 1.388 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1689966038 JEQIGIUMQJCJBB-JKSUJKDBSA-N 421.498 1.071 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1690299291 MJFNZZOYDNWMDZ-HNNXBMFYSA-N 413.544 1.022 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1690646348 QRQNDLCGNCGZTQ-KRWDZBQOSA-N 402.524 1.454 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1690659568 WRJUWDKISKCVMP-KZNAEPCWSA-N 404.559 1.641 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOC2=O)CCOC1 1690995721 MOCIGCKVODCCHA-OXJNMPFZSA-N 420.514 1.757 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1697046273 ZWUOKQXIKLJTRV-ROUUACIJSA-N 411.462 1.622 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705567318 WKRHEKFJBMDCDE-JZXOWHBKSA-N 416.551 1.742 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1705626365 SZNVGIGLIFDJCW-INIZCTEOSA-N 418.519 1.474 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cnn(C)c2)CC1 1705649750 GGQAYOQGMYJZRS-UHFFFAOYSA-N 418.505 1.012 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N(C)CCS(C)(=O)=O 1705705556 IWEORZDRTHXICH-QFBILLFUSA-N 419.551 1.726 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](CCC)OC 1705843659 KTQOEAWUQQMXMG-GJZGRUSLSA-N 401.533 1.048 30 10 HDEE C=CCN(c1nnc([C@H]2COc3ccccc3O2)n1CCNS(C)(=O)=O)C1CC1 1705853642 CJJUJGSEWXQOCF-QGZVFWFLSA-N 419.507 1.495 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1)C(C)C 1705867703 TYXKSJDWZBSJQC-RTBURBONSA-N 401.559 1.841 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(CC)c2)C1 1705915791 WLZIZBUCMPOTCZ-QGZVFWFLSA-N 422.493 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC1CC(F)C1 1705928494 QWGCPDXJEMXKSS-UHFFFAOYSA-N 413.519 1.299 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCOc1ccccc1 1706863904 CWHISAILVDAKRZ-HNNXBMFYSA-N 418.523 1.707 30 10 HDEE CNC(=O)c1cccc(CCn2c(C(=O)NC(C)C)nnc2N(C)[C@@H](C)CC#N)c1 1711328922 ALWKHOCEYRETCX-HNNXBMFYSA-N 411.510 1.757 30 10 HDEE COC[C@@H](F)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712172838 CKADNMOQWHNOJN-ZBFHGGJFSA-N 414.489 1.907 30 10 HDEE C#CCCCn1c(N2CC[C@@]3(CCC(=O)N3)C2)nnc1[C@]1(OC(C)C)CCOC1 1722339137 QIXNFTSRKJCJNW-SFTDATJTSA-N 401.511 1.591 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCOCC1 1722385639 JGGCJEVXWFTYLQ-IBGZPJMESA-N 423.517 1.659 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1CC1([S@](C)=O)CC1 1722428190 XAOJYLIKPBJBIF-NDEPHWFRSA-N 404.540 1.137 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1722527693 QXYBRHZLQFHKEX-UZLBHIALSA-N 407.515 1.393 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1722534112 JOVJOHPQUQLCQX-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1722566099 JLSZHFFFNQAHPG-QWXGXRTQSA-N 414.597 1.884 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCC(=O)NC 1722695264 YGWFNAQFVBHYJI-UHFFFAOYSA-N 421.505 1.758 30 10 HDEE CS(=O)(=O)CCN(c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1)C1CC1 1731006563 JAAYJIOTPWNEHX-CYBMUJFWSA-N 405.480 1.308 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](c2nccs2)C1 1740579643 RNZSAMWQFYRHPI-HNNXBMFYSA-N 400.508 1.962 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCC=C)[C@@H]1CCS(=O)(=O)C1 1740622098 UKPUIBOVJSCNGQ-QGZVFWFLSA-N 402.524 1.662 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(C)n(C)c2=O)CC1 1740695177 HSVJLPJAODEILG-UHFFFAOYSA-N 417.517 1.459 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCO[C@H](C)C2)CC1 1740710067 PXINNRSDGVDXAW-ZIFCJYIRSA-N 415.538 1.911 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COC)C1 1740760067 GMOZVWOYMHXUDU-MHORFTMASA-N 424.567 1.634 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[S@@](=O)CC)C1 1740984242 YKKHRLSDUFJSOS-UULLZXFKSA-N 406.556 1.690 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCO[C@@H]1C 1741636135 CKEIBOZKQIZREO-QVKFZJNVSA-N 412.494 1.464 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@](C)(O)C(C)C)[C@@H]1CCS(=O)(=O)C1 1748818279 YPJGGTHGQMSNEO-UZLBHIALSA-N 410.584 1.900 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1749194270 ZMCBFOILYQNTJB-HUUCEWRRSA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCSC[C@H]1C 1749445647 UMCFLJRITPENCC-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749458110 YLXZCTSTCOCIFL-SJLPKXTDSA-N 418.542 1.805 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@](C)(OC)CC1 1749683195 LQEWEABTYRVHSV-DJPFJPOOSA-N 421.542 1.700 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN2CCC(C)CC2)C1 1749694523 TXORMSUDRSCMDY-GOSISDBHSA-N 404.559 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccccn3)n2CCNC(=O)c2cc[nH]n2)C1 1749703724 NOTHGFVCQCJANI-OAHLLOKOSA-N 408.466 1.275 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1nnc(C)s1 1750139293 MCBFXONWJKXDHQ-JDFRZJQESA-N 407.475 1.652 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCO[C@H](C)C1 1750155035 WNORQUUOXVINMU-FQBWVUSXSA-N 419.526 1.936 30 10 HDEE C#CCCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1760143372 DKQBIMYVYONYNV-UWJYYQICSA-N 419.526 1.073 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1760200328 CXLZXZZJZOGBMJ-UHFFFAOYSA-N 412.457 1.652 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760344491 TZTIYEJPDFWBNG-UHFFFAOYSA-N 424.505 1.457 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1760354394 ZDAUEBPZBNEDRV-APWZRJJASA-N 424.509 1.721 30 10 HDEE C=CCN(C)c1nnc(Cc2ccncc2)n1CCS(=O)(=O)N1CCSCC1 1760465358 DTVGGADLXWKKNH-UHFFFAOYSA-N 422.580 1.265 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCNC(=O)[C@@H]1CC 1760532927 JMRONPQSQAFDJJ-IRXDYDNUSA-N 424.505 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(C)C)CC1 1760553305 AHVJHFKPYGKWTE-MRXNPFEDSA-N 409.556 1.702 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1760568657 OUEFXGYZDDLVFC-UZLBHIALSA-N 423.583 1.905 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1762056986 ILRFPCNZTOJVGK-HPFXQQBRSA-N 420.514 1.036 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N(C)C 1763244316 KOHXNQYLOJZUIL-LPHOPBHVSA-N 407.522 1.968 30 10 HDEE CCCN(CCC)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1766020848 LUWMVJIJVQQJDQ-DXQAYGFFSA-N 402.499 1.935 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cnccn2)nnc1N1CCC(C)(C#N)CC1 1766716670 FBOGEFLDLMWCIQ-UHFFFAOYSA-N 418.527 1.195 30 10 HDEE CO[C@@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1768004449 CFVNWOCPEHSFCN-KBPBESRZSA-N 406.512 1.431 30 10 HDEE Cn1cccc1-c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCn1cc(CO)nn1 1769042999 CNVXZRJNBYZNEQ-FQEVSTJZSA-N 409.498 1.588 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCc1nc(C)no1 1771187597 GGDSKHPKPJPHPR-ACJLOTCBSA-N 407.450 1.768 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCOC[C@H]2CCOC2)CCO1 1771537016 GJFFBNPEVARQJL-MJGOQNOKSA-N 412.494 1.436 30 10 HDEE Cn1nccc1[C@@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCC(=O)N1C1CC1 1772790658 SCSJCTNRJHKRKW-YJBOKZPZSA-N 408.414 1.617 30 10 HDEE C[C@H](C(=O)ON1C(=O)c2ccccc2C1=O)N1CCN(C(=O)OC(C)(C)C)CC1=O 1772793723 WSAYSEAODKYEDS-GFCCVEGCSA-N 417.418 1.209 30 10 HDEE CN(CC(=O)N1CCN(c2nccc(C#N)n2)CC1)c1nc2c(F)cccc2s1 1851646379 CKFQMIAKWLGJGK-UHFFFAOYSA-N 411.466 1.882 30 10 HDEE COCCN(CC(=O)NC1=CC(=O)C[C@@H](c2ccc(Cl)cc2)C1)S(C)(=O)=O 1852258164 DPHLLKSRFIOYEE-AWEZNQCLSA-N 414.911 1.695 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)CCCS(=O)(=O)c3ccccc3)CO2)nc1 1852828912 JELQTMXBNFOVKI-INIZCTEOSA-N 401.444 1.871 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 1853543573 XJLRQBWZBOSFGH-UHFFFAOYSA-N 413.526 1.776 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)c3ccnc(O[C@H]4CCOC4)c3)C2)CC1 1853738823 LCKUYTYUJQGJKV-HKUYNNGSSA-N 412.490 1.864 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1853746445 KAARLSJGFGPUNM-ZWKOTPCHSA-N 400.523 1.778 30 10 HDEE Cc1ccccc1OCC(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1853848079 BPAZLVXFVFWGLR-INIZCTEOSA-N 402.428 1.793 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nc(CC)no3)C3(CCCC3)C2=O)CC1=O 1854417812 ATXOCTYKIGCKOU-OAHLLOKOSA-N 415.494 1.150 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)[C@H]2C)cc1 1854657485 FGAYYCYWGVHKSL-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C[C@@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)Cc3cn4ccsc4n3)C(=O)C2)C1 1854978450 AAQVERVLSDKFSB-DOTOQJQBSA-N 414.535 1.376 30 10 HDEE C[C@H](CC(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O)n1cnc2c1CCCC2 1855009349 ZAXZLAHGAUMPLS-MSOLQXFVSA-N 412.538 1.372 30 10 HDEE CN(C)C(=O)C1CCN([C@@H]2CCCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1855136321 WRNDGCXSVBVVGK-HXUWFJFHSA-N 410.518 1.809 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@H](N2CC(S(=O)(=O)c3ccc(OC)cc3)C2)C1=O 1855447464 KWPSJMWXEZMKMC-KXBFYZLASA-N 420.531 1.883 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)CC2=O)ccn1 1855620130 DRPSJVCARMMFEN-HNNXBMFYSA-N 402.476 1.146 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2cccn(Cc3ccccn3)c2=O)C(=O)[C@@H]1C 1856262142 HMXZVRAYCIWOOS-IRXDYDNUSA-N 407.474 1.657 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(CC)cc3)C2)CC1=O 1856370542 KPZONFVRLQDBFA-GOSISDBHSA-N 419.547 1.649 30 10 HDEE CS(=O)(=O)C1CCN([C@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CC1 1856534436 ZRBUDSPQAUILPV-IBGZPJMESA-N 417.531 1.517 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(Cc3cn(C)nn3)c3ccccc32)CC1=O 1856732685 YCNPPDQWXWYUSF-HNNXBMFYSA-N 408.462 1.120 30 10 HDEE COC[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)C[C@H]1C 1856876435 WUMVNWRKOYCUTA-UKRRQHHQSA-N 405.476 1.309 30 10 HDEE C=C[C@@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cnnn1C 1857015340 CGAUONQLIDIGCX-CQSZACIVSA-N 415.475 1.274 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CSc2ccncc2)C1)[C@@H]1CCN(C)C1=O 1857055419 DZPJFYSCGNCUNK-SJLPKXTDSA-N 416.547 1.658 30 10 HDEE C[C@H]1CN(Cc2cn(C)nn2)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1857080426 NBACXMAPFJOTBK-AWEZNQCLSA-N 401.430 1.911 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nnc(C2CCOCC2)o1 1857221668 UNBNVBQJFHNUIN-CQSZACIVSA-N 409.446 1.708 30 10 HDEE N#Cc1ccccc1NC(=O)[C@@H](CO)NC(=O)[C@H]1CCCN1Cc1ccccc1F 1866913907 RBJIALOVLYZZBS-WOJBJXKFSA-N 410.449 1.778 30 10 HDEE CCc1nc(C2=C(N)N(CCNC(=O)OC(C)(C)C)CC2=O)sc1C(=O)OC 1872725650 TTXLPAMSDFMMJI-UHFFFAOYSA-N 410.496 1.529 30 10 HDEE C=CCn1c(C(=O)NCCCCN(CC)CC)cc2c(N(C)CCO)ncnc21 1873595280 WBBSEVSLJBPACJ-UHFFFAOYSA-N 402.543 1.898 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1ccc(O)c(O)c1 1874435808 YIDQHBAZHQIABA-UFWORHAWSA-N 407.452 1.253 30 10 HDEE CC(C)(C)OC(=O)N1CCCN(CC(=O)ON2C(=O)c3ccccc3C2=O)CC1 1880979047 XBWNSEXLGPNWCT-UHFFFAOYSA-N 403.435 1.684 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@H](Oc3ccc(N(C)C)nn3)C2)cs1 1891358189 SEIZJAPNBJWFHF-LBPRGKRZSA-N 402.480 1.208 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCOC1 1964099480 NGQNIZDQMJFIDY-GCJKJVERSA-N 414.506 1.907 30 10 HDEE C#CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074680444 KYLPITKUDKYJGI-XLGKRILJSA-N 408.476 1.031 30 10 HDEE C#CCOC[C@@H]1CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2141609903 GRTCJBZZVZIAHI-YWZLYKJASA-N 422.478 1.455 30 10 HDEE CNc1nc[nH]c(=NCc2nn(C)c(Cl)c2I)c1C#N 2174387985 JHFNCRSZGLMAOK-UHFFFAOYSA-N 403.615 1.415 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCC[C@H](N(CCO)C(=O)OC(C)(C)C)C1 2174781245 DCZJWAARDDMEKR-CVEARBPZSA-N 403.545 1.806 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NS(=O)(=O)N1CC[C@H](C#N)C1 2174782582 RUEFFZPTCYNBIO-RBSFLKMASA-N 402.517 1.081 30 10 HDEE CC(C)OCCS(=O)(=O)N[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186631847 WKKHZFRPJQYPAY-GFCCVEGCSA-N 404.363 1.848 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@@](C)(CN)[C@H](C)S(C)(=O)=O 2194761243 MIUPKAZSFJKINT-KXBFYZLASA-N 401.573 1.472 30 10 HDEE N#C[C@](Cn1cc(Br)cnc1=O)(NC1CC1)C1(Br)CC1 2240935811 ARQWJYIBYJHDPD-CYBMUJFWSA-N 402.090 1.948 30 10 HDEE C[C@@H](CNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243400874 JBFJCDQOXNBPTP-LBPRGKRZSA-N 406.292 1.419 30 10 HDEE Cn1cc(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247838814 NQRFMVOAASNLHU-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247859476 WAFTYPAXWFUROF-INIZCTEOSA-N 420.315 1.601 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@H]3[C@H]4N)cc2Cl)OC1(C)C 2267358587 GWBRDBPXEZNZJO-QRTLGDNMSA-N 404.750 1.421 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC[S@](C)=O 2267702772 LQGTYMDCJOCGTD-DEOSSOPVSA-N 407.388 1.355 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@H](N)C3)cc2Cl)OC1(C)C 2267710683 ZIXDIANCRZAERI-UWVGGRQHSA-N 406.766 1.859 30 10 HDEE COC[C@H]1CNCCN1C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281943241 FDEZOPDIBXGKCN-LLVKDONJSA-N 400.737 1.761 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@H]3C(N)=O)sc2Cl)OC1(C)C 2281964768 CGSHYEQIGCFEEC-JTQLQIEISA-N 400.693 1.027 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC[C@@H](C2(C)OCCO2)C1 2282046691 ONEDUAZDMSIWHG-CQSZACIVSA-N 405.304 1.335 30 10 HDEE CN([C@@H]1CCC[C@@H]1CN)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344528 VZETXTCLQXVIFQ-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)c1csc(=N)[nH]1 2282348320 JYTFBXUAEUALDI-VIFPVBQESA-N 415.371 1.956 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCCCC[C@H]2CO)OC1(C)C 2282494784 CITBUOIVGLNTSK-ZDUSSCGKSA-N 401.359 1.973 30 10 HDEE CC[C@@H](NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282509506 LKGCAGWEBXVGOW-GFCCVEGCSA-N 402.709 1.181 30 10 HDEE Cc1cc(C(=O)NCCCCS(N)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282599836 UTYPIWXRARRQOT-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CN4CC[C@H]3C4)cc2Cl)OC1(C)C 2282826967 VPXYUFKNCMVWQM-JQWIXIFHSA-N 418.777 1.683 30 10 HDEE CCOCCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282833309 GQVAMERCMGVAJH-UHFFFAOYSA-N 404.363 1.631 30 10 HDEE Cc1cc(S(=O)(=O)NC2COCCOC2)sc1B1OC(C)(C)C(C)(C)O1 2282836879 QGAKQFNOBYADMP-UHFFFAOYSA-N 403.331 1.049 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(N4CC(F)C4)C3)s2)OC1(C)C 2282851914 JBCCONZUBYRATH-UHFFFAOYSA-N 402.322 1.074 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284408056 RURFZCJBCBVLCS-CYBMUJFWSA-N 401.315 1.080 30 10 HDEE CCCS(=O)(=O)NS(=O)(=O)c1ccc(C)cc1B1OC(C)(C)C(C)(C)O1 2284415937 RRASSCOVWNSCCX-UHFFFAOYSA-N 403.331 1.312 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc([N+](=O)[O-])c1O 2323437130 IPNXDGUJNUSGPY-UHFFFAOYSA-N 408.348 1.468 30 10 HDEE CCCN(CCC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccncc1 2330784271 FKDYTEONEVWNAJ-UHFFFAOYSA-N 417.539 1.932 30 10 HDEE CC1(C)OB(c2cc(-n3nc([N+](=O)[O-])nc3Br)ncc2F)OC1(C)C 2345760356 ICUWGBVSPKKDOM-UHFFFAOYSA-N 414.000 1.771 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)NCCCCCCS(N)(=O)=O)C1 2364207161 WHNYOUPSORYCJX-UHFFFAOYSA-N 403.545 1.813 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 2365198683 HZWBJVSDLLVFRC-XHSDSOJGSA-N 402.557 1.409 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1C[C@@](CNC(=O)OC(C)(C)C)(OC)C1 2365208839 UAXHKEPDFBQKBO-YZVOILCLSA-N 402.557 1.721 30 10 HDEE CC(C)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365210259 HXZBMOFEZBPPLG-ZRGWGRIASA-N 402.557 1.537 30 10 HDEE CN1CCO[C@@H](C(=O)NCc2sc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2369898751 ZNZMKRTXXVUPFM-GFCCVEGCSA-N 400.737 1.648 30 10 HDEE CCOc1ccc(CN2C[C@@H](C(=O)N3CCO[C@@H](C#N)C3)CC2=O)cc1OCC 42279 RHNFODVAEOZMGA-IRXDYDNUSA-N 401.463 1.583 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)s1 20424124 SFBLNBKRESPGMK-PJQLUOCWSA-N 406.501 1.437 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 254870723 FRHIXSCNKRWPKW-STQMWFEESA-N 400.453 1.682 30 10 HDEE COc1cc(Br)ccc1[C@H](C)NS(=O)(=O)N1CCO[C@@H](C#N)C1 410388818 SHXHLMGQDSDVNP-JQWIXIFHSA-N 404.286 1.577 30 10 HDEE N#Cc1ccc(OCCNC(=O)CCCNS(=O)(=O)c2ccc(F)cc2)cc1 434241134 ZNCSXEUOWCBJAL-UHFFFAOYSA-N 405.451 1.951 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)cc2C1=O 440514320 NUKGEGLSAUCPMH-XMMPIXPASA-N 419.481 1.835 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 441203736 UGJCWJRRCXJMCH-BTSUXPKWSA-N 419.522 1.731 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCCN(C(=O)c3ccccc3)C2)CC1 460807703 FPJBFKASMXUDSV-HSZRJFAPSA-N 412.534 1.375 30 10 HDEE Cc1ccc(C)c(N2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)c1 486227813 GIFYMNLZEZTXLR-UHFFFAOYSA-N 422.533 1.942 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc1C#N 489116221 IJZFTZZIPUGUDA-GOSISDBHSA-N 414.487 1.649 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2cc(OC)ccc2Br)CC1 494814034 SEAJHSFASWIETR-UHFFFAOYSA-N 410.312 1.447 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 507554342 UWALKSVQWBZRRL-OXQOHEQNSA-N 423.517 1.255 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)CC1 512705963 SMPBHQANMATXFI-JOCHJYFZSA-N 420.513 1.604 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NCCN3CCS(=O)(=O)CC3)cc2)nc1 518388633 WWOGSBFNBYHUAO-UHFFFAOYSA-N 400.460 1.206 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCOc2ccc(C(F)(F)F)cc2)CC1 522319330 UFWSUPHBGMDPAK-UHFFFAOYSA-N 414.428 1.714 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(c2ccc(C(N)=O)cn2)CC1 533356681 FMCCKIKELUMADD-CYBMUJFWSA-N 424.530 1.752 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)c1OC 537841290 NNAIXBWGBPPELM-UHFFFAOYSA-N 411.480 1.004 30 10 HDEE CN(C)C(=O)c1cc(S(=O)(=O)Nc2ccccc2-n2ncc(C#N)c2N)cn1C 540337788 DZAAHVGOHMLOOV-UHFFFAOYSA-N 413.463 1.167 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@H]3CCOC3)nnc12 541529468 IQZQDRNGTQPLOO-AWEZNQCLSA-N 413.503 1.865 30 10 HDEE N#CC1(CS(=O)(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCCC1 545366303 IAANZSQCJOSJCZ-RBUKOAKNSA-N 416.547 1.589 30 10 HDEE COC[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)c1ccccc1 552888334 GLDLWBBKLRMQGV-SFTDATJTSA-N 406.486 1.727 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 558918812 HRJNQIHJAMZRSR-UZLBHIALSA-N 411.506 1.834 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 558983876 DFHDQAARTGJMDD-IBGZPJMESA-N 406.575 1.622 30 10 HDEE CN(C[C@H]1CCS(=O)(=O)C1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC1 559241289 LJMMHZSVXWTYQF-IAGOWNOFSA-N 415.519 1.724 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H](C[C@H]2CCOC2)C(=O)O)cc1Br 582463936 GXGJOXXUSBSYDV-RNCFNFMXSA-N 403.254 1.479 30 10 HDEE CCCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc21 586308764 OYMCKQHMKUYMHS-MLNJSSBLSA-N 419.503 1.514 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1 609662034 LQXVXIFZMLKYEJ-FQEVSTJZSA-N 420.469 1.604 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C3CC3)c2=O)cn1 732563475 ZTRGFRNTWQSUFO-UHFFFAOYSA-N 420.494 1.856 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCCCN1CCN(c2ncccn2)CC1 742402454 OPLOCVFYUATYRW-UHFFFAOYSA-N 415.523 1.010 30 10 HDEE Cc1cc(C#N)ccc1C(=O)O[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 748402557 MQNHRRRXVVZVKL-AWEZNQCLSA-N 415.471 1.418 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 758452730 BTMIJKAKQGPTSR-ZIAGYGMSSA-N 411.503 1.959 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n(-c2ccccc2C)n1 761965569 QENZJZCXYCPBCG-HNENSFHCSA-N 422.445 1.070 30 10 HDEE CSc1ccc(N2C[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC2=O)cc1 771079722 XVDNVKOZXQDVJM-ZDUSSCGKSA-N 407.517 1.901 30 10 HDEE N#CCOc1ccc(Cl)cc1CN1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 779622901 SYGBIVKAJIIOHS-KRWDZBQOSA-N 413.927 1.869 30 10 HDEE C#CCCNC(=O)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(C(=O)OCC)C2 781966658 CFPAOOAYGXSGQK-UHFFFAOYSA-N 421.475 1.517 30 10 HDEE CCc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2CCCn2ccnn2)c1 784126604 ZCQQJFYXLQBVQN-MRXNPFEDSA-N 400.508 1.998 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cc(S(C)(=O)=O)ccc2F)n1 789323915 WTEZBGQDIWAAGL-UHFFFAOYSA-N 422.482 1.146 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](C)N2C(=O)c3ccc(C)cc3C2=O)n1 790105056 BRWVIXQYZSFMCM-MRXNPFEDSA-N 408.458 1.484 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(S(=O)(=O)NC)c(C)c1 796096571 FLGQCVCYQDCISD-KRWDZBQOSA-N 406.529 1.816 30 10 HDEE Cn1cc([C@@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796853020 ZLBHENZDBYEUKM-GOEBONIOSA-N 421.523 1.248 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)N2CCOCC2)C1 802393867 ATLCKPKLWZXABM-IBGZPJMESA-N 424.505 1.538 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)[C@@H]1CCN(c3ccc(C#N)cc3F)C1)C2 804643343 YWUCPNPNMUELFU-VWKPWSFCSA-N 401.438 1.562 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCN(S(=O)(=O)CC3(C#N)CCC3)C2)CC1 809845154 FFNFNEIEJJGBEH-INIZCTEOSA-N 412.556 1.637 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCC2(CC1)OCCO2 809897200 JJDBBVVXCCSDDE-UHFFFAOYSA-N 418.523 1.768 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCc3nc[nH]c3C2)cc1 810166361 RQACHBZQLNHPPG-BJTZIBPKSA-N 416.507 1.902 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H]2CCN(O)C2=O)c1 820180042 UDNSUQGOQBULSN-MRXNPFEDSA-N 403.460 1.824 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)C1 1116546267 SVAGEGFYYNIACL-ZDUSSCGKSA-N 402.900 1.682 30 10 HDEE N#CCc1ccc(S(=O)(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 1116601841 BIIUSIUIUMLTPA-UHFFFAOYSA-N 405.501 1.771 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1133373082 YQKALUQLXUDJGD-XJKSGUPXSA-N 402.451 1.881 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2cn3ccccc3n2)s1 1135939982 YTUKDUUMVOAPFR-UHFFFAOYSA-N 404.517 1.762 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H](CNC(N)=O)C3)C2)C1 1141699293 OQVWKVJTYTUKPV-XAHBDIOTSA-N 419.526 1.680 30 10 HDEE C=CCCn1cc(C(=O)NCc2ccc(CN3CCS(=O)(=O)CC3)cc2)nn1 1142744760 FUIXBMQDCNXHNN-UHFFFAOYSA-N 403.508 1.015 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCn1cncc1-c1ccccc1 1149856511 QZQCCFGZSVWOIC-MRXNPFEDSA-N 423.498 1.905 30 10 HDEE C#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 1160147806 YHNXDROMQQZNNI-GOSISDBHSA-N 406.548 1.885 30 10 HDEE Cc1nsc(N2CCN(C(=O)c3cc(S(N)(=O)=O)sc3C)CC2)c1C#N 1160237848 ZWSVYTCWYVFJBB-UHFFFAOYSA-N 411.534 1.303 30 10 HDEE COC[C@@H]1C[C@@H](O)CN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1171713386 JQYXBQFEGUKFCI-GVDBMIGSSA-N 416.522 1.438 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCOC3(CCOCC3)C2)ccc1Br 1197302908 HUCYXDLXCSVIKA-UHFFFAOYSA-N 401.282 1.891 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3nn(C(C)C)cc3c2)CC1 1215464885 OMUYCZYOGRBGOV-UHFFFAOYSA-N 404.496 1.234 30 10 HDEE C#CCCCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1230340071 MIEROCXPBSNDOS-HNNXBMFYSA-N 401.529 1.513 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 1246612621 FFLPLLXNVILRQW-UHFFFAOYSA-N 420.539 1.035 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)cs1)C(N)=O 1264769525 SLDLLWNTZIXLIV-LBPRGKRZSA-N 416.532 1.267 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1286391924 JVNQYPXDXDUFHV-ROUUACIJSA-N 406.552 1.817 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286406826 JHVXNTPFFXXAJG-QGZVFWFLSA-N 421.526 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1286416111 VIJZLSQOWBGTQZ-GOSISDBHSA-N 413.503 1.159 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCOC[C@@H]1C 1286461922 ZRNTVHFNBPTBMW-IRXDYDNUSA-N 412.494 1.684 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2csc(C)n2)n1Cc1nnc(C)s1 1286466250 DDROJFOEMJECFN-UHFFFAOYSA-N 403.537 1.928 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCC2)CC1 1286504257 KNIMZJVLMDIFMS-QGZVFWFLSA-N 402.568 1.660 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1286635337 PSHQLAHBAWWFGN-YOEHRIQHSA-N 418.947 1.695 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H](C)CN1CCOCC1 1286716579 HNXQTYTXOIEQRB-NQIIRXRSSA-N 407.559 1.909 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2nc(C)cc2C)CC1 1286769098 PJUXHJPXGRLXIT-MRXNPFEDSA-N 421.571 1.804 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC(C)C)C1 1286782495 WRYGHSDJWGBKFQ-IBGZPJMESA-N 424.505 1.749 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)OC)CC1 1286783819 MVGAFHOBCGUIGX-UHFFFAOYSA-N 419.873 1.184 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C(N)=O)nc2)C1 1286807943 ICIQZYOTFJJBBL-OAHLLOKOSA-N 406.450 1.059 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1286820237 HVAHHLKBPCEHSJ-OAHLLOKOSA-N 421.571 1.938 30 10 HDEE Cc1c(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cnn1CC(C)C 1289245524 KCRALVNDRIYROE-JXFKEZNVSA-N 414.489 1.880 30 10 HDEE N#Cc1c(NC(=O)COc2cccc(I)c2)nc2n1CCOC2 1289682664 DLXOGNURGFJAFS-UHFFFAOYSA-N 424.198 1.907 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cc(C)ccc1OC(F)F)c1cc[nH]n1 1294994055 RXAIJDQMQLRJGD-UHFFFAOYSA-N 410.377 1.920 30 10 HDEE CCN(CC)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1295515934 HUCGUJDZVCUFHV-MAUKXSAKSA-N 411.510 1.910 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1296134628 ZJOVWSZIKFKANA-DBXWQHBBSA-N 419.549 1.640 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)C[C@H]1C 1296149877 LEWFIIFVKITGFP-MRXNPFEDSA-N 406.498 1.424 30 10 HDEE CC(C)Cn1c(=O)nc(O)c2c(C(=O)N[C@@H]3CCCN(O)C3=O)cc(C3CC3)nc21 1298542391 WZINPPGEGNDVAB-CYBMUJFWSA-N 415.450 1.141 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1300411778 XDKOLWOOFMOYAH-MJBXVCDLSA-N 420.457 1.750 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1SCCc2ccccc21 1300430423 MJCGQNGLJGTKQT-WMLDXEAASA-N 419.576 1.988 30 10 HDEE C#CCN(c1nnc(C)n1CC(=O)N(C)C1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300484586 QPAUXYACBSMYAS-KRWDZBQOSA-N 407.540 1.004 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300497368 AWRIKAROQBZNRL-FXAWDEMLSA-N 417.535 1.052 30 10 HDEE COc1ccccc1Cc1nnc(N(C)C[C@@H](C)C#N)n1C[C@H]1CCS(=O)(=O)C1 1300536184 FZYYCFCCKULKFI-JKSUJKDBSA-N 417.535 1.908 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CC2(CCOCC2)C1 1300538647 TWKZXJVEPAYHDU-SFHVURJKSA-N 416.547 1.460 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(C)CC1 1300649981 QYBQIHVFXACHAE-UHFFFAOYSA-N 416.570 1.722 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1300952353 SLMJDKDDLYASLQ-ZIAGYGMSSA-N 409.537 1.791 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1301373110 SIHAZEVTZFBMRU-LEWJYISDSA-N 405.543 1.564 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1301595309 SAERYKFQLBLIQH-HNNXBMFYSA-N 404.544 1.769 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1301966585 WBENZBQPRQCUOW-BFHYXJOUSA-N 405.503 1.738 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCOC3)n2CCCCN2CCC[C@H]2CO)C1 1302979272 PNFNDFWTTYIBJF-FUHIMQAGSA-N 406.506 1.461 30 10 HDEE Cc1nnc(N2CCO[C@H](C#N)C2)n1CCCN(C)CCCNC(=O)OC(C)(C)C 1304863092 QVJIHFBLMKOJHF-QGZVFWFLSA-N 421.546 1.552 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1CCNC(=O)[C@H]1c1ccccc1Br 1309375580 HGDGMKUBSBWTCT-CYBMUJFWSA-N 400.298 1.802 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(CC)(N3CCOCC3)CC2)c1 1309737641 YWNIQAASMIAVBR-UHFFFAOYSA-N 421.563 1.868 30 10 HDEE Cn1cnnc1Cn1c(Cc2c(F)cccc2F)nnc1N1CC[C@@](F)(C#N)C1 1314916209 DEAQDARXKOYFHO-GOSISDBHSA-N 402.384 1.766 30 10 HDEE Cn1nncc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1314934050 AWKPHONJZHXYFF-UHFFFAOYSA-N 405.510 1.914 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)c(F)c1 1315496130 BJQMYBHSSNAJBI-UKRRQHHQSA-N 421.498 1.972 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)c2cccn(C3CC3)c2=O)c1 1351602118 QVCLKYRDTNBBAH-UHFFFAOYSA-N 405.454 1.670 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC(F)F 1358913366 MLXQYXXKBUALOX-AWEZNQCLSA-N 419.498 1.506 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1358921053 NWBFEGPENXSCSR-GDBMZVCRSA-N 404.471 1.685 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1358955462 MMDKNVLHAHVKQJ-QZTJIDSGSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1C[C@@H]1COCCO1)[C@H]1CCS(=O)(=O)C1 1358966677 UAZCTGNVXPDTBV-ZWKOTPCHSA-N 422.551 1.053 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(SC)c1 1358999903 GSGJUYUDBTVCAR-ZDUSSCGKSA-N 408.553 1.513 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(SC)c1 1359018108 DUJRWEZENXPVTJ-UHFFFAOYSA-N 402.524 1.668 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)CCC(C)C)CC1 1359028343 OTKLTSPEHDFCBS-JOCHJYFZSA-N 416.570 1.457 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@H]2C)CC1 1359029467 YTMPXHFICBEDID-ULQDDVLXSA-N 408.572 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2oc(CC)nc2C)CC1 1359047665 OODHMPKTAKELFN-UHFFFAOYSA-N 414.510 1.688 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1359203280 MCZGVNPPFKHCIJ-IAGOWNOFSA-N 419.555 1.970 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(S(C)(=O)=O)cc1)C1CC1 1359250536 NAUUXTMJYGIPLP-KRWDZBQOSA-N 415.519 1.836 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1359328889 QQLGDIWLITUOSB-AWEZNQCLSA-N 421.479 1.088 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359661172 DYGBQJDTDPDBSX-GUXCAODWSA-N 419.505 1.028 30 10 HDEE C=CC[C@@]1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1437301584 MAFREULIDWFHJJ-KDOFPFPSSA-N 401.529 1.482 30 10 HDEE N#C[C@]12CN(C(=O)c3ccccc3[S@](=O)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1439803701 SQHWYNWMGGSJDQ-AMAQWNJASA-N 406.407 1.324 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]([C@H]3CCOC3)C(F)(F)F)C2=O)cc1 1439859967 JAVSFPHTBPGSDJ-JGGQBBKZSA-N 424.379 1.847 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@]34CCCC[C@H]3OCC4)CC2)cc1 1441015452 XPISHNJGMZDZJP-UYAOXDASSA-N 403.504 1.740 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCS(=O)(=O)[C@H]3CCC[C@@H]32)ccc1F 1449581777 GJRVDLFUVSBHSI-GJZGRUSLSA-N 416.496 1.082 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1450329222 PCFCTYYFLJTAED-SFHVURJKSA-N 406.504 1.847 30 10 HDEE N#Cc1ccc2nc(NC(=O)[C@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)[nH]c2c1 1454326425 HXWJFWMSPUMBDG-RDTXWAMCSA-N 407.405 1.717 30 10 HDEE C#CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1456082231 HUFQDYALICKHHC-HZPDHXFCSA-N 411.524 1.613 30 10 HDEE C=CCC[C@H](NC(=O)CCc1c(C)nc(N2CCOCC2)nc1O)C(=O)OCC 1468126756 YGRRNIAZNLPKOG-INIZCTEOSA-N 406.483 1.274 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1470200608 DFRJMHIHUPAWON-ZACQAIPSSA-N 422.526 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)C#Cc2cccs2)C1 1471777731 YVTBJMIPWAQGGT-OAHLLOKOSA-N 412.533 1.640 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)C(C)(C)N2C(=O)c3ccccc3C2=O)c(=O)n1C1CC1 1473073669 ZXUXCQRIRUVMST-UHFFFAOYSA-N 420.425 1.169 30 10 HDEE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1 1475929496 DFIOWWZVOBRYBU-LSDHHAIUSA-N 400.460 1.993 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1493171619 WNYMEMMCJBRLPM-QVKFZJNVSA-N 410.478 1.289 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1499308205 SAOCZSFMVNRJSH-DYESRHJHSA-N 410.478 1.337 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1 1504887799 DTSUCEIOSJUZBV-INIZCTEOSA-N 421.498 1.734 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCCn1cc(CO)nn1 1507601907 KKYGMIBXXPQYIT-HNNXBMFYSA-N 413.457 1.801 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCN(C)CCOC 1507760180 VSWOCADURJDZDR-OAQYLSRUSA-N 402.543 1.475 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(O)c1 1507765306 RIWZADXQLVJCRP-AUUYWEPGSA-N 403.508 1.634 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](CC)OC)CC1 1507884637 KQELHTFWBLFCQK-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1508086303 MZIRACOQURXGLQ-KRWDZBQOSA-N 417.558 1.361 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CC(F)(F)F 1509686349 WFRCYYFBEIDQRO-UHFFFAOYSA-N 422.415 1.572 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1512211132 ZZUYCPQRLNCHRB-STGLLQLASA-N 408.466 1.498 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNC(=O)C(C)C 1513976204 UVDLIZMUPIBWFG-SFHVURJKSA-N 423.521 1.694 30 10 HDEE CCOC1CC(Cn2c(CC)nnc2N2CCC(C#N)CC2)(N2CCOCC2)C1 1516367038 GIEVKSXHLZWMHZ-UHFFFAOYSA-N 402.543 1.850 30 10 HDEE CCOC1CC(O)(Cn2c(Cc3csc(C)n3)nnc2N2CCO[C@H](C#N)C2)C1 1516401971 MHUIHLJBIJWOPU-KOHRHEQBSA-N 418.523 1.293 30 10 HDEE CN(CCn1cccn1)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1517320214 NDAOITJNQXWLNF-OAQYLSRUSA-N 407.478 1.955 30 10 HDEE C[C@@H](C(=O)NC1(c2cccc(C#N)c2)CCOCC1)N1C(=O)NC2(CCCC2)C1=O 1529258024 CNUVAOPWKHEXCX-HNNXBMFYSA-N 410.474 1.933 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCSC[C@@H]1S(C)(=O)=O 1534632628 CADIJVJPWXDSGG-OLZOCXBDSA-N 405.542 1.520 30 10 HDEE C#CCCCCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1538445962 YCWFGZGEJLNSPD-UHFFFAOYSA-N 407.536 1.457 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1539079580 WEEXYMRPTVSTDS-IBGZPJMESA-N 413.526 1.285 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2cccc(Cl)c2)n1CCS(=O)(=O)NC 1539149541 YHLZRKWQFHFCNE-CYBMUJFWSA-N 411.915 1.690 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2conc2COC)CC1 1539459544 JETGJDMRYBDIKO-UHFFFAOYSA-N 424.509 1.078 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCn2ccnc2C)CC1 1539489833 OULVJNHAYKLSBR-GOSISDBHSA-N 411.510 1.301 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(C)=O)CC1 1539612526 NABYBXCAAHQCIE-IAGOWNOFSA-N 404.515 1.066 30 10 HDEE C=CC[S@](=O)(=NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 1539646444 ROZCRUZOAQOBLQ-BMOUYSEJSA-N 402.472 1.779 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539710528 SUSMMZUOTBLRMV-GOSISDBHSA-N 409.494 1.607 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1540077722 PIAMBCQKNOKUOI-UHFFFAOYSA-N 419.503 1.464 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cccnc2N2CCOCC2)c1 1540666229 YWZXTHIOJOZODH-UHFFFAOYSA-N 418.450 1.285 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540877459 VWCLWOCMGWOIQB-HZPDHXFCSA-N 404.515 1.125 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1Cc1nccc(C(F)F)n1 1541103623 CTCATGNSXAQNQC-LBPRGKRZSA-N 404.425 1.886 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCCCCCNC(=O)OC(C)(C)C)CC1 1542894596 DQPRTRWQMCEFNZ-UHFFFAOYSA-N 422.570 1.745 30 10 HDEE Cc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(I)cc1 1543340396 UXDPHEZCNKAKQA-AWEZNQCLSA-N 409.231 1.968 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)=O)cc2)CC1 1544784814 JTFUSXDQKWBURG-MOPGFXCFSA-N 406.504 1.750 30 10 HDEE CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(C(=O)CC#N)CC2)ccc1F 1545534334 DLLFSCLYZMHCKZ-UHFFFAOYSA-N 410.471 1.054 30 10 HDEE CCSCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1552591728 KUTQEVIUQOFVMZ-INIZCTEOSA-N 405.572 1.736 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(Br)no2)s1 1556665358 QYHWHMYSGRKVMT-UHFFFAOYSA-N 420.310 1.822 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)C(C)(C)C2)cc1 1556768199 QPIYDWOSUDRBND-SFHVURJKSA-N 400.504 1.597 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nccc(Br)c2O)cc1 1557775769 XEUWFJOTDJBGFN-UHFFFAOYSA-N 410.249 1.714 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(c3cncn3C)CC2)s1 1558829358 RSSNFRQUTJNBMF-UHFFFAOYSA-N 408.549 1.895 30 10 HDEE CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 1559741479 NHVRUYCYRBZFTB-MRXNPFEDSA-N 405.458 1.847 30 10 HDEE N#CC1(CNS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CCOCC1 1562012091 FJZNTLVZIDWKIJ-UHFFFAOYSA-N 420.260 1.286 30 10 HDEE CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1564594084 ULDKOGAPCDXFDP-BDJLRTHQSA-N 417.853 1.816 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCc4cc(Cl)nnc4C3)C2=O)cc1 1564689571 IPSNUFUFVVITBZ-MRXNPFEDSA-N 410.865 1.870 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)[C@@H]2C[C@@H](O)CN2c2ccncn2)ccc1OC 1565724813 BDDYHLSCMZJUSY-ZACQAIPSSA-N 411.462 1.422 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)c3nc(O)c(C#N)cc3C)C2=O)c1 1566240566 LQAIRWXCQQZTDJ-KRWDZBQOSA-N 410.430 1.862 30 10 HDEE COC(=O)CCSCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1568132546 GADXUEJJHHRWPI-HNNXBMFYSA-N 418.475 1.176 30 10 HDEE O=C(NCC#CCO)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1568141777 FGOWRXXUAKJPEQ-UHFFFAOYSA-N 423.288 1.975 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1569207740 RPUMKFPBRBPEGK-SUJAAXHWSA-N 414.524 1.116 30 10 HDEE CCOC(=O)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)C1CCCCCC1 1583137046 NRKQZGQKXYKIBT-IBGZPJMESA-N 421.519 1.855 30 10 HDEE C=C(C)C[C@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1587305655 VCOBUYSLJCVMPE-INIZCTEOSA-N 421.519 1.910 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1587889172 VYVMBKVKBCZHNQ-INIZCTEOSA-N 410.478 1.493 30 10 HDEE C#CCN(C)c1nnc([C@H](C)Oc2ccc(F)cc2)n1CCN1CCCS1(=O)=O 1587909486 MBAGYKLFMDIYNQ-HNNXBMFYSA-N 421.498 1.662 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1587974955 HMQOTHNNGNRLNX-UHFFFAOYSA-N 407.478 1.271 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1Cc1snnc1C)[C@@H]1CCS(=O)(=O)C1 1588054168 LCBJDRMPNVDYCA-OAHLLOKOSA-N 420.564 1.771 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@@](C)(O)CCOC 1588219242 PEFRVSUXGWHGFF-NRFANRHFSA-N 413.478 1.256 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(CCC)CCC2)CC1 1588742132 NVEOOOWATXGJFY-QGZVFWFLSA-N 422.599 1.614 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@]2(C)COCCO2)CC1 1588762535 JTIOJGBCAHNLGF-JOCHJYFZSA-N 411.506 1.514 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H]2CC=CCO2)CC1 1588930185 PHLDWGAAGOWQSY-MOPGFXCFSA-N 413.522 1.831 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCN(C)CCOC 1589198381 TZRPUIZRRKHXCB-OAQYLSRUSA-N 414.510 1.576 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CC(=O)NC(C)(C)C 1589483250 NUIKDLIBOPULBZ-RDJZCZTQSA-N 420.558 1.748 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1593650076 KDNQQAFEKJYKQV-LJQANCHMSA-N 409.538 1.583 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H]1C[C@@H](OCC)C1(C)C 1595466481 JKJOADVMBMQYHH-HUUCEWRRSA-N 406.531 1.358 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C[C@H]1CCOC1)C1CC1 1595784032 AHCFMEZADMGLKA-MRXNPFEDSA-N 417.535 1.946 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)Cc3ccccc3F)CC2)C1 1598208735 QVJFZNXRDWKQRS-MJGOQNOKSA-N 416.449 1.194 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C#N)n3)cc2)CC1 1611045765 CNTXCTRUJXUHMG-UHFFFAOYSA-N 413.459 1.058 30 10 HDEE Cc1nnsc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1611875675 BDNVYPTUTMYXIL-LRDDRELGSA-N 424.556 1.227 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1nccnc1C 1614028779 PFDJDJXSTWWRCL-UHFFFAOYSA-N 403.494 1.775 30 10 HDEE COCC(=O)N(C)CC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132247 RALBUGRFHGMTCH-OCAPTIKFSA-N 412.277 1.721 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@](C)(O)c2cc(C)oc2C)s1 1618688621 WRVTWYSLPBEBSN-GOSISDBHSA-N 412.533 1.989 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCC(O)(COCCO)CC1 1620593391 NJRGEUYBQHKVIP-QGZVFWFLSA-N 405.495 1.166 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](C)C[C@@H](O)c1ccc(F)cc1)c1cc[nH]n1 1623629721 HMDOBWGIMVEUGR-BLLLJJGKSA-N 406.414 1.461 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(N(C)C(N)=O)c2)s1 1626673288 TYYPFXPAEQHHHF-UHFFFAOYSA-N 408.505 1.909 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccn(C3CCOCC3)n2)s1 1629583675 VSRWWYGHQYHNPE-UHFFFAOYSA-N 410.521 1.942 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2nnc3ccc(Cl)cn23)c1 1629988653 IMQBULQPOJNXMQ-UHFFFAOYSA-N 407.814 1.749 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](c3ccccc3)[C@H](CO)C2)cc1 1632691614 MKFMEMOIXGDWHN-PZJWPPBQSA-N 412.511 1.836 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CCc2cnccn2)CC1 1632849464 VAGRQMRCNYTKKX-GOSISDBHSA-N 416.526 1.750 30 10 HDEE C=C(CCN(C)C)C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1634269887 SIUHIUGTGPGDMB-HNNXBMFYSA-N 403.545 1.035 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1C[C@H]1CCCO1 1636309013 NKFSDPIAEOTMKN-USXIJHARSA-N 407.492 1.022 30 10 HDEE Cc1cc(-n2cccn2)ccc1CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1637408191 FMFJNSDAZGKVIW-UHFFFAOYSA-N 409.471 1.536 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 1638366715 ATTLXTPRZBHGDK-AWEZNQCLSA-N 424.486 1.483 30 10 HDEE C#C[C@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)C1 1640186910 RSLALAJSMATTQQ-YOEHRIQHSA-N 410.923 1.745 30 10 HDEE Cc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)nnn1-c1cccc(Cl)c1 1640637034 SCZNECFLPCZILY-UHFFFAOYSA-N 411.809 1.060 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](O)c2cc(Cl)ccc2OC)cc1 1640641812 XHBCXBHAOHOAAH-KRWDZBQOSA-N 422.890 1.724 30 10 HDEE COC(=O)[C@H](CNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)CC1CC1 1640843733 SVRZWBDOHJALJI-RDJZCZTQSA-N 412.446 1.469 30 10 HDEE C[C@@H]1CC[C@@H](NC(=O)COc2cccc(Br)c2C#N)CS1(=O)=O 1640931622 GVYVEJUUXQWHDB-GHMZBOCLSA-N 401.282 1.781 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1641604812 CMZAKLMDCNKARC-UHFFFAOYSA-N 408.483 1.432 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c1 1641745432 GEBPEGAJFMRWNN-HNNXBMFYSA-N 402.428 1.330 30 10 HDEE C[C@H]1NC(=O)N(CCN2CCN([C@H](C#N)c3ccc(Br)cc3)CC2)C1=O 1642603139 QMPJIEVQQVIRMF-CZUORRHYSA-N 420.311 1.572 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)NCC)ccc1F)C(=O)OCC 1642683887 TVKGTHDBFYNJLI-AWEZNQCLSA-N 406.863 1.928 30 10 HDEE C#CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1 1643525465 HWSSVKGDVLIKSZ-UHFFFAOYSA-N 402.520 1.628 30 10 HDEE CO[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 1643571984 JFGJDUSRDBFNCZ-ABAIWWIYSA-N 405.398 1.405 30 10 HDEE N#CCc1ccc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)cc1 1643627901 RGMAONPAZYWRDD-FQEVSTJZSA-N 417.469 1.919 30 10 HDEE N#Cc1cc(CN2CCOCC2)cn(CC(=O)Nc2ccnn2C2CCCC2)c1=O 1643944166 CNMMCVWDFGAVES-UHFFFAOYSA-N 410.478 1.502 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)CN[C@@H](c2cccc(C#N)c2)C(F)(F)F)CC1 1644267321 FDZXVGPKKMJTIX-INIZCTEOSA-N 418.441 1.291 30 10 HDEE N#CC1(C[C@@H](O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C(=O)CO3)CCOCC1 1644297790 RFKUUJSWLUBQTB-NFBKMPQASA-N 413.518 1.561 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)CN(C)CCCN(C)C)ccc2c1=O 1645257351 ZVYWBFHBECMXFS-HNNXBMFYSA-N 417.579 1.873 30 10 HDEE C#CCC1(NCC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CCOCC1 1648363907 KWNOQERQAUCVHD-UHFFFAOYSA-N 419.547 1.378 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 1648800056 YUTXAMATLOTXMQ-DGVSKKNDSA-N 424.423 1.171 30 10 HDEE C=CCCONC(=O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1 1648919807 YUNGQMFPIDPJLB-UHFFFAOYSA-N 403.420 1.707 30 10 HDEE Cn1c(NC[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)c(C#N)c(=O)n(C)c1=O 1651398734 XMHHSPBAJNCPRE-JLTOFOAXSA-N 403.483 1.547 30 10 HDEE C[C@@]1(c2cccc(C(=O)N3CCO[C@@H](c4ccc(C#N)cc4)C3)c2)NC(=O)NC1=O 1652919006 CVCXHNJYHPSKNU-GCJKJVERSA-N 404.426 1.827 30 10 HDEE CCCCn1c(N)c(N(CC)C(=O)CN2CCc3c(C#N)cccc32)c(O)nc1=O 1653952387 CBGHMYQUDOHUAN-UHFFFAOYSA-N 410.478 1.618 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 1655284003 IQEQYQRRQDWDOG-GOSISDBHSA-N 421.519 1.212 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)c1 1655682997 XGQBMVNHPHEGDY-KRWDZBQOSA-N 412.533 1.190 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 1656152954 ZWLQLEFAVZXUBH-UHFFFAOYSA-N 414.549 1.522 30 10 HDEE C#CCCN1CCN(C[C@H](O)COc2cn(-c3ccccc3)nc2C(=O)OC)CC1 1658126033 VCUFQAGCYGTZEI-IBGZPJMESA-N 412.490 1.040 30 10 HDEE CCOC(=O)C1CCC(O)(C[C@H](O)CN(C)C[C@H](O)c2cccc(C#N)c2)CC1 1659321672 DKHWCDIDWSZFFY-YMZLFWGNSA-N 404.507 1.759 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)C1CCOCC1 1672344600 VNGOJDDLOPMTEH-OAHLLOKOSA-N 403.435 1.148 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)F)C1=O 1680321662 VKXPGOKMUSPBIT-STQMWFEESA-N 404.458 1.963 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCc1cc(S(C)(=O)=O)ccc1F 1681770543 DUWVOAKTZDMAKR-GOSISDBHSA-N 405.451 1.976 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 1682149899 IHJFCDBAJRQZMY-NDEPHWFRSA-N 407.492 1.553 30 10 HDEE CNC(=O)[C@H](CNC(=O)NCC1(C#N)CCOCC1)Cc1ccc(OC)c(F)c1 1683578877 LBJZGKBGTIGGJW-HNNXBMFYSA-N 406.458 1.359 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(c3cnccc3C#N)CC1)CCO2 1685159670 ORVVHFYLDLLRSF-BQIYRTECSA-N 413.478 1.286 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CC[C@@](F)(C#N)C2)C1 1687572267 MNDBWKUVWLFGSU-CXAGYDPISA-N 418.491 1.058 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1689972376 MRKBQQPXYZVXNG-IAGOWNOFSA-N 402.543 1.358 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1690080457 VJGFQYNAJIDBDD-MRXNPFEDSA-N 419.526 1.749 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@H]1COCCO1 1690090049 ULXADLJBEOTKAU-IBGZPJMESA-N 410.453 1.873 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1690310243 YFLMFMVKYHGZIE-AWEZNQCLSA-N 400.439 1.327 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1OC 1690597477 VBVFMADDHJFDRM-BRWVUGGUSA-N 410.540 1.410 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cncn2)C1 1690688581 XTQHHROLPOGPGL-QFBILLFUSA-N 403.487 1.003 30 10 HDEE C=CCSCCn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 1690735735 HLDLATMUZSFXHN-UHFFFAOYSA-N 412.541 1.146 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(S(C)(=O)=O)CCC1 1693489768 MTCPVCZETRRONH-UHFFFAOYSA-N 402.480 1.089 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CC=CCC1 1694739560 QXMYUFYSRMWLCU-QGZVFWFLSA-N 407.526 1.479 30 10 HDEE CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1695175897 PUSFUBYYRZFHCH-GOEBONIOSA-N 409.560 1.255 30 10 HDEE C#CCN(C(=O)c1ccc(C#C)nc1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1705363482 JDDJNWVTUSDVAH-TWGBQZSLSA-N 403.482 1.553 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](COC)OC 1705490613 NPBIDTUJQCPEAC-GJZGRUSLSA-N 410.478 1.311 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1705495796 VNKIMVKHVJMSOL-CABCVRRESA-N 423.564 1.487 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cc(Cl)ccc1OC 1705541642 OGSOXKMMPKPZSZ-LBPRGKRZSA-N 411.915 1.668 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1([S@](C)=O)CCC1)[C@@H]1CCS(=O)(=O)C1 1705560881 OEAKDUMOENOWAC-WZQKQDCOSA-N 412.581 1.329 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1705660091 MNLXTVRBCZXPST-CVEARBPZSA-N 407.540 1.226 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1705663234 AETQKJULWBGBCO-UHFFFAOYSA-N 411.597 1.459 30 10 HDEE C=C(C)COCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1705730828 NRWDQTCJKNZMLN-KRWDZBQOSA-N 412.494 1.760 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCc2cc(Cl)ccc2C1 1705894988 QDRPHJZVRFRSEB-UHFFFAOYSA-N 416.913 1.935 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1C[C@@H](C)OC(C)(C)C1 1705905801 HLUOKOSMIVPHIC-MRXNPFEDSA-N 423.521 1.823 30 10 HDEE CSCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1712817326 RSQXYTGKGHDNHS-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)CC1 1722326013 PWJOKIHGIZLDRM-UHFFFAOYSA-N 406.533 1.331 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](F)COC)[C@@H]1CCS(=O)(=O)C1 1722358881 GNAYLMNPGFJYRU-HUUCEWRRSA-N 410.471 1.458 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCCC(C)C)CC1 1722429099 GVPFPTLFRNIWNA-UHFFFAOYSA-N 402.543 1.332 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC2(CC1)CNC(=O)C2 1722535440 IHKBOBOCXUYABT-UHFFFAOYSA-N 416.526 1.100 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722537163 LQWORNUFUNOTOH-HOTGVXAUSA-N 404.471 1.644 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722687285 RCGJQKPEFACNBZ-MRXNPFEDSA-N 401.478 1.827 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC2CC2)C1 1722725931 UNORVSDBBPEOSK-IAGOWNOFSA-N 410.540 1.736 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(C(C)(C)C)no1 1722864656 UXYANCHAZCJVBL-CHWSQXEVSA-N 423.543 1.818 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1726672652 MPCBIGOKMAMIIX-HZPDHXFCSA-N 410.478 1.289 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1-n1ccnc1)[C@@H]1CCS(=O)(=O)C1 1740616978 JWTVXVAUWMLFNY-GOSISDBHSA-N 410.503 1.447 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740623276 QTPREABALUAQQV-HOTGVXAUSA-N 414.491 1.055 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(C)=O)cc2)CC1 1740695849 FUKLDMOCTSYSPY-HXUWFJFHSA-N 422.533 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1740703781 ADAMZVOYJZXWAE-SBUREZEXSA-N 424.549 1.801 30 10 HDEE C=C(Cl)Cn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740808278 FCRJPOFRLYJCCL-UHFFFAOYSA-N 420.949 1.422 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740823284 ACNGBESNYANLJP-UHFFFAOYSA-N 417.535 1.745 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1740889232 XTPIZQNEDYZAOH-KRWDZBQOSA-N 422.555 1.356 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nnc2n1CCCCC2 1740899392 MBPYHVQHSDDATF-OAHLLOKOSA-N 419.555 1.363 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCOC(C)(C)C1 1740932223 JQTNXKWWKLRGCD-QGZVFWFLSA-N 423.583 1.469 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(C(=O)c2ccco2)CC1 1740956745 ZLEGEYMOLLEGTM-UHFFFAOYSA-N 420.473 1.803 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cccc(S(C)(=O)=O)c1 1740965186 MHUHMNVSPGRXTB-UHFFFAOYSA-N 415.479 1.128 30 10 HDEE CC1(C)CCO[C@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1742001748 FWNACWVDGMSXEU-HOTGVXAUSA-N 407.540 1.735 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CC[C@@](F)(C#N)C2)cc1 1742152520 DDTYCVHOZUQZDD-DYESRHJHSA-N 412.469 1.962 30 10 HDEE CC[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1743629566 SYIYLPJMHXWUBU-GROMALFZSA-N 415.498 1.020 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](N2CCCC2=O)C1 1747534697 GDLKCMOHSKNXKJ-SFHVURJKSA-N 421.505 1.496 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1747572375 JZGWEDZRIZZRTJ-YWZLYKJASA-N 415.448 1.925 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC1([S@](C)=O)CC1)[C@@H]1CCOC1 1747661020 QAPABFCKVCESGO-BCOMRZATSA-N 415.519 1.865 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@H](COC)C1 1748734726 JDSJOLVWYGQZFW-QGZVFWFLSA-N 418.519 1.614 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1748846309 FWRMCBSBPVFXSE-ROUUACIJSA-N 410.499 1.257 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCCCN2CCCC2)CC1 1748971274 KCDUKVSFNXYBLY-UHFFFAOYSA-N 415.586 1.438 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCc2nc(C)no2)CC1 1749003986 BUOXWXOKFIIZNE-UHFFFAOYSA-N 413.526 1.866 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](F)COC 1749471802 SXDAGBCGWGDHHQ-HNNXBMFYSA-N 411.503 1.802 30 10 HDEE C=CCN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN1CCN(C(C)=O)CC1 1749473828 RQPILYGPXRCOQK-UHFFFAOYSA-N 413.482 1.640 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1749629991 MOKJXLWWQHMQKR-DLBZAZTESA-N 420.539 1.085 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC 1749671135 YXVRSICDHTVFTE-OAHLLOKOSA-N 422.530 1.735 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCOC2)nnc1[C@]1(OC(C)C)CCOC1 1749681713 GPLDJDPDUMZGMU-JXFKEZNVSA-N 407.515 1.094 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ncn(C)n1 1750148067 QTYHUADPZILPOQ-URLQWDBASA-N 400.487 1.309 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C#N)C1 1750340978 SLGOQIPVIGDNSX-AYOQOUSVSA-N 408.462 1.883 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1OCCOC 1760119508 ATKKCWOBGKUBQN-KRWDZBQOSA-N 411.506 1.932 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](CC(C)C)NC(=O)OCC 1760233087 QPCZTISKGLAFFN-CVEARBPZSA-N 404.515 1.850 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CSCCS2)CC1 1760273388 RGXRHJYHSBNMKE-INIZCTEOSA-N 423.608 1.629 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC[C@@H]1C 1760552886 DXGDTTABXNNDSU-AWEZNQCLSA-N 420.491 1.500 30 10 HDEE CCCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1764211152 MAUAHTXXVRTWDC-SFHVURJKSA-N 409.494 1.847 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@H](C)C#N 1766686567 CKACZVWRWHHJOM-CYBMUJFWSA-N 405.480 1.704 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1767793688 DNALJZQPLZVNPB-INIZCTEOSA-N 423.521 1.646 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)cc1 1768585312 MJHWROKFNUIEGY-XMSQKQJNSA-N 424.505 1.279 30 10 HDEE CO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1770268295 SZSPDHVFYDPCSZ-MGPWXQLLSA-N 402.499 1.618 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C=NN=C2[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772789821 XZCITLTXUSQWNL-RISCZKNCSA-N 412.402 1.664 30 10 HDEE CCc1noc(-c2ccnc(-n3ncc(C(=O)N4CCN(CCC#N)CC4)c3C)c2)n1 1848544727 YBPNJBQSFPEEOS-UHFFFAOYSA-N 420.477 1.860 30 10 HDEE C=CCN(C(=O)CCNS(=O)(=O)c1c(C)c(C)cc(C)c1C)[C@H]1CCN(C)C1=O 1848981860 PXSURSCHNZJWSL-SFHVURJKSA-N 421.563 1.834 30 10 HDEE COCc1nc(N2CCOCC2)ncc1C(=O)Nc1ncc(C(F)(F)F)cc1C#N 1852397694 WENRQWZSTQHOOL-UHFFFAOYSA-N 422.367 1.997 30 10 HDEE CC(C)C(=NOCCCN1CCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853435854 HAAPLFZGOVQFSE-UHFFFAOYSA-N 408.524 1.932 30 10 HDEE COc1ccc(CC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)CC2=O)cc1C 1853944255 BCLDWXDPIRZDQX-UHFFFAOYSA-N 405.454 1.972 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)CCC(F)(F)F)C1=O 1854907708 KNIGPSCYZNZAIU-HNNXBMFYSA-N 424.427 1.719 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)c2cccc(C#N)c2)CC1 1854933933 ZULIQIZPFFYDAM-UHFFFAOYSA-N 424.482 1.224 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCC(C(F)(F)F)CC3)CC2=O)CC1=O 1855855567 KEHLGZUDGRSVDK-ZIAGYGMSSA-N 401.429 1.670 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856306494 JPVOHIGQZDIXIH-HNNXBMFYSA-N 412.519 1.221 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCN(C(=O)COc3cccnc3)C2=O)CC1 1856467763 XDWIAQGLVAOLOJ-IBGZPJMESA-N 405.458 1.734 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)C3CCC(F)(F)CC3)C(=O)O2)CC1 1856886441 PVDNJWPJMFWJGQ-AWEZNQCLSA-N 419.450 1.725 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cncc(N(C)C)c2)C1)[C@@H]1CCN(C)C1=O 1857075107 XIFAMQBITRDOFS-VQIMIIECSA-N 413.522 1.245 30 10 HDEE CC1(C)C(=O)N(C(=O)Cn2nnc3ccccc32)CCN1Cc1ccc(C#N)cc1 1857171718 USIJTIMWMQSSAU-UHFFFAOYSA-N 402.458 1.953 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)[C@H]2CCOC2)CC1 1857297031 MSEBGZZAGNTEDE-INIZCTEOSA-N 417.487 1.453 30 10 HDEE CC(C)(C)c1cc(C(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)nc2ncnn12 1857327490 VROFJNDYTHEZFK-INIZCTEOSA-N 409.494 1.789 30 10 HDEE C[C@H]1CCN(C[C@H]2CCC(=O)N(C(=O)c3ccc(C#N)cc3)C2)CCS1(=O)=O 1857340577 ZZYFCKLJZKAFCU-DOTOQJQBSA-N 403.504 1.446 30 10 HDEE Cn1nc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2=O)cc1-c1cccnc1 1857367368 AJDYBJVTLPVVAG-UHFFFAOYSA-N 400.442 1.838 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@H](C)O)=C(N)Oc2c1c(CC)nn2C 1864323362 JGSHMMYVMZMNJW-GUYCJALGSA-N 412.490 1.739 30 10 HDEE N#Cc1nnn(-c2ccc3nc[nH]c3c2)c1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1870098186 QSVFLQYNHMZFQZ-UHFFFAOYSA-N 410.375 1.724 30 10 HDEE C=CCn1c(C(=O)N2CCC(CO)CC2)cc2c(NCCNC(C)=O)ncnc21 1875230590 GOZPNFBCJZWJQI-UHFFFAOYSA-N 400.483 1.010 30 10 HDEE N#CC1CCN(CCNC(=O)[C@@H]2SCC(=O)N(C3CC3)[C@@H]2c2cccnc2)CC1 1889620882 OWGAQJNNSNXUDE-WOJBJXKFSA-N 413.547 1.581 30 10 HDEE N#Cc1ccnc(OC[C@H]2CCCN(C(=O)Cn3cnc4ncccc4c3=O)C2)c1 1891318962 XFMJIMWLINRFQF-INIZCTEOSA-N 404.430 1.376 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1984733667 INEQAIBIZRKIRI-XXBNENTESA-N 415.534 1.998 30 10 HDEE C#CCN(C(=O)CN(CCSC)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2123513740 GQGMTSFIOCKTOA-CQSZACIVSA-N 404.554 1.235 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)c2cccnc2C#N)CC(F)(F)C1 2184234661 JABCCLMMTFYSAL-NSHDSACASA-N 402.423 1.876 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1C(=O)N[C@H](C(=O)O)C(C)(C)S 2195308083 OVXUQXZWWJOFAU-JHJVBQTASA-N 404.529 1.926 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](C(=O)N2CC(F)(F)C[C@H]2CC#N)C1 2234013402 CTYVIKBEUQTKJH-VXGBXAGGSA-N 407.439 1.170 30 10 HDEE C[C@H](NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)[C@@H](C)NC(=O)OC(C)(C)C 2243386760 HENFFXKPYPCOLM-NWDGAFQWSA-N 408.308 1.740 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243393071 MIOSSWOVKSOYCM-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)CO1 2243429325 AUXZKTPOCUEGPL-GJZGRUSLSA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CCO1 2247826926 BMIQXTDTMGIWBE-LBPRGKRZSA-N 422.291 1.380 30 10 HDEE Cn1cc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C2)nc1B1OC(C)(C)C(C)(C)O1 2247914604 NQRFMVOAASNLHU-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE C[C@@H](CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1)N(C)Cc1ccccc1 2247919056 OZZLOUYJGNXJCB-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2247935988 RIDSPCKKWJYYBM-UHFFFAOYSA-N 416.287 1.940 30 10 HDEE C#CCN(C(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258165555 ITWQBZIQHWUOPA-MRXNPFEDSA-N 410.492 1.518 30 10 HDEE CC(C)(NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2269041773 WFBNXWTUBFBFMY-UHFFFAOYSA-N 409.722 1.842 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC[S@@](C)=O)c(B2OC(C)(C)C(C)(C)O2)c1 2282316474 CTZYJESYLDYWBR-RUZDIDTESA-N 401.359 1.293 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCC[C@H]1O 2282321284 VJRWXKQNYIADMQ-CHWSQXEVSA-N 401.359 1.938 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@]3(=O)CC[C@@H](CN)C3)s2)OC1(C)C 2282352435 OOSIXNPRMLAWIH-FTJNGKRUSA-N 420.387 1.183 30 10 HDEE COC(=O)NCCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491593 LWSJAIPLQNEADT-UHFFFAOYSA-N 404.319 1.072 30 10 HDEE COC[C@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)OC 2282504013 IPVUPTPFGPGIND-ZDUSSCGKSA-N 405.347 1.128 30 10 HDEE CCO[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282504329 NINXTQLHOHYXFZ-LBPRGKRZSA-N 402.347 1.383 30 10 HDEE CN(C)CCONS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282513294 YYWZFZIANVRICC-UHFFFAOYSA-N 404.725 1.411 30 10 HDEE CCCN(CCS(C)(=O)=O)C(=O)c1csc(B2OC(C)(C)C(C)(C)O2)c1 2282632584 MOPVRJFDAQPKMR-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282675852 CPYXBLYKNDHOHR-UHFFFAOYSA-N 402.347 1.105 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2C[C@H](N)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282825230 IBUMOSTUGFRXHJ-NWDGAFQWSA-N 400.375 1.760 30 10 HDEE Cc1cc(S(=O)(=O)NC2CC(CCN)C2)sc1B1OC(C)(C)C(C)(C)O1 2282831388 JQCCXAIHPPWZGH-UHFFFAOYSA-N 400.375 1.761 30 10 HDEE CO[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282831895 GGEGSVHRJONIJD-ZDUSSCGKSA-N 402.347 1.287 30 10 HDEE COC[C@H](CCO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282836262 HRLZBXJSTWQXKN-LBPRGKRZSA-N 405.347 1.031 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCC[C@H]1C[C@H](N)C1 2282838910 WFXAUCGCZFVJLE-JOCQHMNTSA-N 400.375 1.761 30 10 HDEE CCCC[C@H](CN)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282842405 XXAAUUFKPMYGQR-GFCCVEGCSA-N 403.379 1.379 30 10 HDEE CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858211 TUDOAWWORLTYSB-NSHDSACASA-N 423.387 1.149 30 10 HDEE C[C@H](CC(=O)N(C)C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282858420 WTPQLRAUQWXQNV-LLVKDONJSA-N 402.347 1.192 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282875701 SQVHCBLVVMJFQO-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]3CC(=O)O)cc2Cl)OC1(C)C 2284394397 XSOLRUJUPLIVDU-VIFPVBQESA-N 421.733 1.938 30 10 HDEE CC=CC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284400686 BOCYMKNQWHWBIB-NSHDSACASA-N 401.315 1.745 30 10 HDEE C[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410333 STAWHOHAYNDYJW-QWRGUYRKSA-N 401.315 1.531 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2296245004 CYRSXYRGGPDJFF-MFKMUULPSA-N 402.347 1.226 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)c1ncc(I)s1 2342033979 QNJOUMUBPPYGAZ-SECBINFHSA-N 410.302 1.979 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(O)CN(C(=O)OCc2ccccc2)C1 2342053985 MHVGCDLEDQKUDK-SFHVURJKSA-N 420.531 1.319 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 2345084892 FSAWDADVBYKNJP-XLIONFOSSA-N 422.503 1.527 30 10 HDEE C=CC12CC(CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C2 2351702104 DBNAWPHJKCJZOR-OHTSDLOESA-N 422.503 1.825 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)C(=O)C#CC(C)(C)S(C)(=O)=O)C1 2365171795 OIDSWSMRVQUBPK-KSMMKXTCSA-N 401.525 1.827 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365198516 GLJASAJSRRDUDA-CLCXKQKWSA-N 402.557 1.538 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367799167 YHNCHXJGCWUEAU-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OC)C1 2367799738 CVADZSXNTMMCEE-CLCXKQKWSA-N 400.541 1.617 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367805617 CXCKSNYYDLXGJF-MAUKXSAKSA-N 402.557 1.553 30 10 HDEE CC(C)(C)OC(=O)NCC12CC(C1)[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)CO2 2368728084 FIXDGQCMENBRLX-IBBOYCKISA-N 402.513 1.584 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1C[C@H]2[C@@H](C1)OCCN2C(=O)OC(C)(C)C 2368866732 HYIVQRQIBQEXFI-FXUDXRNXSA-N 401.529 1.868 30 10 HDEE C=CCn1c(=O)/c(=C\c2cccnc2)s/c1=C(/C#N)c1nnc2n1CCCCC2 5523653 CLEFPANDRYPVPF-LRAWPCGGSA-N 404.499 1.360 30 10 HDEE COc1cccc(/C=N/Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2C)c1 5646628 POQNNWDSKAGUMW-YDZHTSKRSA-N 418.457 1.937 30 10 HDEE C[C@@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 96965918 LEXCHKBRQHIOAS-ZDUSSCGKSA-N 400.451 1.032 30 10 HDEE CCN(CC)C(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 110968185 FHAZOZXKZCDMLG-UHFFFAOYSA-N 420.535 1.430 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)C(=NNc2ccccc2C(=O)O)C1=O 254872716 UOTNOYWHXJTBRC-UHFFFAOYSA-N 412.387 1.551 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC[C@@H](c2nnc3n2CCCCC3)C1 301172197 GSCMZXKQXAPKPQ-CQSZACIVSA-N 400.508 1.908 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC[C@@H](O)C2)cc1C#N 427115929 WIXRXHHAFTWEMQ-OAHLLOKOSA-N 400.460 1.659 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1C1CC1 447786838 NOLXXGPBVUKKIY-UHFFFAOYSA-N 419.510 1.460 30 10 HDEE Cc1c(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cnn1-c1ccccn1 460780631 HNCDYGIJWQRXHI-UHFFFAOYSA-N 406.431 1.829 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)Nc3cnn(-c4ncccc4C#N)c3)cc2)c1=O 462095557 FAAMUEBSFVORHI-UHFFFAOYSA-N 401.390 1.667 30 10 HDEE N#C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)CCN1Cc1ccccc1 476230269 YWARMOCNANJLFB-VQTJNVASSA-N 411.506 1.186 30 10 HDEE N#CC1(CS(=O)(=O)NCCNC(=O)c2ccc(Br)cc2)CCC1 477509851 VISGVURNLYODHS-UHFFFAOYSA-N 400.298 1.792 30 10 HDEE Cc1ncc(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)s1 479428071 TWXXVEGGMHMYIZ-UHFFFAOYSA-N 403.895 1.942 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nnc(/C=C\c3ccco3)s2)CC1 486904777 WXZJQCKHFFFFEF-WAYWQWQTSA-N 402.480 1.753 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C#N 489123138 NLJSGPGACDVOMX-UHFFFAOYSA-N 420.516 1.525 30 10 HDEE COc1ccnc(N2CCN([C@@H](C)C(=O)N(C)C3(C#N)CCC(C)CC3)CC2)n1 513444579 VQKPNGCQSVGQPD-BATSVXPKSA-N 400.527 1.927 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1C[C@@H]1CCCO1 514916285 DDELCWHUZLXFLU-AWEZNQCLSA-N 417.556 1.488 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NC1CCN(CC(=O)N(C)C)CC1 521902512 ASXDGDDRDWZCNC-UHFFFAOYSA-N 403.483 1.845 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)N3CCN(c4cc(C#N)ccn4)CC3)CC(=O)N2C)cc1 523815449 GPPGOAMOIJNEEA-UGKGYDQZSA-N 419.485 1.830 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(Cl)cc2)CC1 534830819 VRYRMKPSACJWTP-UYAOXDASSA-N 419.957 1.715 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(C(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)C1 537815658 JOMCKVXBJAEKOM-KRWDZBQOSA-N 400.460 1.899 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)N[C@H]1CCN(c2c(F)cccc2F)C1 542829783 FCWPIRKCZCCBTL-LBPRGKRZSA-N 403.437 1.995 30 10 HDEE C=C(C)CN1CCC(NC(=O)C(=O)NCc2ccc(OCCN(C)C)cc2)CC1 550867153 GELPMAHJCINQSO-UHFFFAOYSA-N 402.539 1.400 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCC[C@H](C(=O)N4CCOCC4)C3)C2)c(F)c1 553124161 SSLIWCNXZVITQS-ROUUACIJSA-N 414.481 1.621 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@H]3CCN(C)[C@H]3c3ccccc3)CC2)o1 562048012 WORXXCUERYUKHP-RXVVDRJESA-N 408.506 1.538 30 10 HDEE CC(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2nccn(C)c2=O)CC1 564352279 VPBSILOOLSNMRH-UHFFFAOYSA-N 418.505 1.893 30 10 HDEE CN1CCN(C[C@@H](NC(=O)C(=O)NCc2ccc(C#N)cc2F)c2ccccc2)CC1 585719506 XJJJAJYEKJFLEY-OAQYLSRUSA-N 423.492 1.418 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(F)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 609990490 OKBHRKLWQJZPKY-INIZCTEOSA-N 406.395 1.735 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCCO1 614903149 YKJMVIBBSQHEMA-OAHLLOKOSA-N 400.475 1.956 30 10 HDEE O[C-](O)C1CCN([C-](O)C2=C=C3CO[C@H](C4=C=C(Cl)C#C[C-]4Cl)CN3N2)CC1 642813340 OHWQNUUGBOLYJN-KRWDZBQOSA-N 423.276 1.816 30 10 HDEE C=C(C)Cn1c(COCC)nnc1N1C[C@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 670197625 DVFVLINFCSGAQW-HKUYNNGSSA-N 404.559 1.770 30 10 HDEE NCC#Cc1cc(NS(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)ccc1F 703980797 ZYHOGWDQQGLXOB-UHFFFAOYSA-N 415.446 1.564 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCO[C@@H](c2ccccc2Cl)C1 732465641 HKYWTKWMHHMIAM-JHHGQVAESA-N 404.854 1.949 30 10 HDEE C[C@H](OC(=O)c1ccc(C#N)nc1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 734602543 PLEBZYPZANETGM-LBPRGKRZSA-N 402.432 1.388 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCCN(C(=O)CC2CCCC2)CC1 746234186 HPVMKTZLJPBGSN-MRCUWXFGSA-N 402.495 1.544 30 10 HDEE C#CCN(Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)[C@H]1CCS(=O)(=O)C1 750043327 TYJWQQZDDWHDQP-HNNXBMFYSA-N 406.533 1.143 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N2CCN(c3ncccc3C#N)CC2)C1 764636406 SHZDCIKTKKPHPB-MRXNPFEDSA-N 401.467 1.238 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC12CCOCC2 768001487 ITPYTOBNNYOUAS-INIZCTEOSA-N 405.520 1.921 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 774262521 KEJZRFUENDFDSG-KURKYZTESA-N 409.939 1.917 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2cccc(C)c2C)N(CCC2CS(=O)(=O)C2)C1=O 786683560 OQJJZKUPNMNTNK-MRXNPFEDSA-N 423.560 1.806 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(N3CCCC3=O)n2)n1 788819545 IFZSMMHOQDHFHF-UHFFFAOYSA-N 401.492 1.317 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)n1 789031202 WRUMZEUTCNHTTB-UHFFFAOYSA-N 411.441 1.799 30 10 HDEE N#Cc1cc(C(=O)OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccn1 795976919 PXXQIMWLMHGNHC-UHFFFAOYSA-N 417.443 1.210 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1 797694970 JGBZJLZFFOMHRL-FTRWYGJKSA-N 406.504 1.397 30 10 HDEE C#C[C@H](C(C)C)N1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cnn(CC)c1 798362329 FJEITRGQPPLSGT-IAGOWNOFSA-N 418.567 1.560 30 10 HDEE C#CCN(c1nnc(-c2cc(Br)cn2C)n1C)[C@H]1CCS(=O)(=O)C1 809819058 VIZIEUNONSLONW-LBPRGKRZSA-N 412.313 1.210 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)n1 811471978 QAJONGKVLKDSHN-QGZVFWFLSA-N 408.474 1.696 30 10 HDEE COCCn1c([C@@H]2COCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 812159491 RMBZKCLYZYJFJN-IBGZPJMESA-N 412.494 1.601 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C#N)C1 812185738 CEXSAVMONAPMMI-CVEARBPZSA-N 418.498 1.891 30 10 HDEE Cc1cc(C#N)cnc1C(=O)NS(=O)(=O)C1CCN(C(=O)OC(C)(C)C)CC1 816044758 OMCCSPNXWINBFH-UHFFFAOYSA-N 408.480 1.721 30 10 HDEE N#CCCC[C@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 817320021 VTWGHWYMFLWYLU-SJORKVTESA-N 416.503 1.703 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)C2=O)cc1 856556771 SMQPILSMYRTFMS-PWRODBHTSA-N 403.486 1.904 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@@H](C)Oc2ccccc2C#N)C1 914594993 PPBTXJUXMZYKEG-SJLPKXTDSA-N 403.479 1.342 30 10 HDEE CC(C)(C)OC(=O)CC[C@H]1C[C@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CO1 1124724227 MNDAXEBBDWHDAG-KBPBESRZSA-N 419.482 1.583 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(CCN(C)C)C(=O)C2)CCCN1C(=O)OC(C)(C)C 1130707081 KHHOEEKBVXROFE-OAQYLSRUSA-N 408.543 1.565 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N(CCC#N)CCN2CCOCC2)CC1 1136457835 GEPSWERKLFKTQS-UHFFFAOYSA-N 424.542 1.213 30 10 HDEE CC(C)(C)n1ncc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1Br 1136671524 KTZCYMFRYOZBGP-QINSGFPZSA-N 410.272 1.657 30 10 HDEE C#CC[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)C(=O)OC 1141995288 MGDKWJUVMRXBLX-KRWDZBQOSA-N 400.456 1.806 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2F)cc1 1142019942 SPHCGJZREFECEE-UHFFFAOYSA-N 402.411 1.722 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1147283841 VAVSCVHCWAAATB-QGZVFWFLSA-N 404.308 1.970 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCc4cnc(N)nc4C3)C2)C1 1147560097 VWIYCBPXLYTEAC-FAGJFJLWSA-N 412.494 1.730 30 10 HDEE C[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)c1noc(C(F)F)n1 1161195431 MOKLLHBZAYXNNN-SECBINFHSA-N 413.406 1.703 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@H](C)[C@@H]1C(=O)OC(C)(C)C)c1cc[nH]n1 1162509569 BDLHIGLWDBRJMQ-SUMWQHHRSA-N 422.482 1.662 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1 1164673480 QSLDOUTVEJGWAQ-INIZCTEOSA-N 411.487 1.964 30 10 HDEE C#CC[C@]1(C(=O)N[C@@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1175170142 STRCIPOPVUIVDT-VBKZILBWSA-N 410.467 1.200 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)c(C#N)cn1CCOC 1203101657 FOAYHDDUHXILIB-CQSZACIVSA-N 419.482 1.704 30 10 HDEE CS(=O)(=O)C[C@H]1CCN(S(=O)(=O)c2ccc(Br)c(C#N)c2)C1 1211953015 CSVKBDWCKGHBNX-JTQLQIEISA-N 407.311 1.376 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(C(=O)OC)cc1OC)C(=O)OCC 1213382278 BWWXNLGFZDZZHM-LBPRGKRZSA-N 405.856 1.834 30 10 HDEE Cn1ncc(C(F)(F)F)c1CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1225936108 DBEMMEKMGSTQEQ-ZYHUDNBSSA-N 416.404 1.997 30 10 HDEE C#C[C@H](NC(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1)c1ccc(Br)cc1 1252457835 FZLHMBABMDENIL-ZNMIVQPWSA-N 423.263 1.727 30 10 HDEE N#Cc1sccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1264202148 KBXLRUHNNNEMMY-UHFFFAOYSA-N 406.445 1.675 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1CCCN(CC)S(C)(=O)=O 1286430007 FPJBSHWLHDGLGA-GOSISDBHSA-N 421.567 1.307 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(F)cn1 1286457991 ZPPOHIGUDBLTAZ-NRFANRHFSA-N 417.485 1.987 30 10 HDEE C=C(C)COCCn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)COC)CC1 1286606877 FGDLILSUYMBVIJ-UHFFFAOYSA-N 402.499 1.597 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(C(=O)NCC)CCC1)C1CC1 1286737149 KOJMYQGLYLOLTR-HNNXBMFYSA-N 421.567 1.641 30 10 HDEE C=CCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)CCCS(C)(=O)=O 1286773650 YDEZKZILEZDVGC-UHFFFAOYSA-N 402.480 1.651 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1286785285 IJLMOVVJZLLGAB-MRXNPFEDSA-N 413.526 1.708 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCSCC2)nnc1[C@]1(OCC)CCOC1 1286824375 BWRZQYPCFUSMQT-KRWDZBQOSA-N 416.569 1.084 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1286828919 AKXSYBUXEPBEQD-UONOGXRCSA-N 419.511 1.418 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1288996004 MNGBAYLWGCXMLX-UONOGXRCSA-N 415.885 1.637 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)CC1 1292703934 NSZKRUZZYDITHU-IERDGZPVSA-N 424.517 1.654 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 1293033174 VHCKTWVEGGYXTL-FYWRMAATSA-N 417.365 1.236 30 10 HDEE C#CCN1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1293715632 GMOPCQOXWUJJOM-WUZYXKQASA-N 400.523 1.941 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H](O)COCC3CC3)C2)C1 1294796760 XONUYBDQMJXYTQ-NHUHVJRWSA-N 407.511 1.677 30 10 HDEE C=CC[C@@H](NC(=O)[C@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OCC 1296237000 SSRWTXQKHXPDGE-BFUOFWGJSA-N 400.447 1.586 30 10 HDEE C=C(CO)C(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1296541560 UBMPHXIBOSGGHA-UHFFFAOYSA-N 406.298 1.379 30 10 HDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)Cc2ccc(Br)cc2C#N)C1 1297260281 LQFPKHUHCDYQKU-SUMWQHHRSA-N 411.296 1.736 30 10 HDEE CCO/C=C/[C@](O)(CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1)C(F)(F)F 1298576803 SRQMYSUFPVUJNY-YMEIAPRGSA-N 411.380 1.871 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)c1 1300429370 HXWRVVQBPCGKQD-QGZVFWFLSA-N 415.519 1.977 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1300430561 OBVGBAUPIYNGSJ-KUHUBIRLSA-N 422.482 1.176 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1300485363 VCYZDOUQKRKOMV-HZPDHXFCSA-N 423.583 1.507 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCC2(C1)OCCO2)[C@H]1CCS(=O)(=O)C1 1300499724 WFBFCNCTKWVOST-HOTGVXAUSA-N 408.524 1.010 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1N(C)CCCC1(C)C 1300631978 ZHJMIGAYEOHXCB-IAGOWNOFSA-N 407.584 1.760 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1300641438 GFNRTDUTGBPULH-GASCZTMLSA-N 404.515 1.597 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1300991846 WHOXWGRICDRLDY-KSZLIROESA-N 424.567 1.778 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCCNC(C)=O)CC1 1301113645 BBQFPVJATBUEHM-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCSCC1 1301502826 PYQPENFQAXYEDQ-INIZCTEOSA-N 401.492 1.646 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1301827395 HCVABJAOEQHOKT-IBGZPJMESA-N 401.492 1.478 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCCS(=O)(=O)C1 1301967209 BDTVPLSIWZGPEC-ARFHVFGLSA-N 413.544 1.565 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1CC(=O)N(C)C 1303063356 FHYOUJLDXRPCOP-UHFFFAOYSA-N 412.498 1.780 30 10 HDEE CC(C)CN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1303183074 PRWTYUQTJDNYKL-CZIZESTLSA-N 415.542 1.706 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1304218884 RZYYGTYSPVANCW-CLWVCHIJSA-N 419.503 1.209 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 1304490787 LBEKAFXDCIVDJQ-UHFFFAOYSA-N 422.488 1.014 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2cccc(OC)c2)CCOC1 1314138824 FFKHQIQBXLUSNH-RXVVDRJESA-N 413.478 1.716 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1315731042 GLJBAZOOWSCJCC-KBXCAEBGSA-N 412.494 1.988 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc2nccc(C(F)(F)F)n2n1 1349462681 HXWUKXMHQCCLHY-UHFFFAOYSA-N 406.328 1.432 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)[C@@H]1CS(=O)(=O)CC(=O)N1 1357804515 YVAJHLQIUPVVAX-ZDUSSCGKSA-N 419.272 1.016 30 10 HDEE CN(CCc1ccccn1)C(=O)CNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1358496678 JSDKCBRKZQXMNG-KRWDZBQOSA-N 417.510 1.786 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358962903 YURZCNWFLXFFMN-NVXWUHKLSA-N 419.507 1.144 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)CN1CCOCC1 1359011863 OVALOYCCCAEYTD-LJQANCHMSA-N 421.549 1.944 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1359062661 OWCMCBMCLMXDFG-LJQANCHMSA-N 407.540 1.011 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CCOC)[C@@H](C)C1 1359105203 LFYHPTXNWCPWAS-BJLQDIEVSA-N 407.559 1.953 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCCN(S(C)(=O)=O)CC1 1359143428 ZWGDIUNZTCOPMS-AWEZNQCLSA-N 421.951 1.226 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2CCN2CCN(C(C)=O)CC2)CC1 1359177357 JYRKDELHPKJDIX-UHFFFAOYSA-N 410.526 1.302 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1359213522 XZLWWZWUZLREAB-KRWDZBQOSA-N 414.558 1.682 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359225144 OLVTWTCWGXHXMG-FQEVSTJZSA-N 419.551 1.891 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@]1(C)COCCO1 1359282952 YPSARAASBLEXAB-HXUWFJFHSA-N 404.515 1.584 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)[C@@H]2CCCC[C@H]21 1359291938 FGDHVFBLHHMTOT-YHUYYLMFSA-N 424.571 1.205 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)[C@@H](C)C1CCC1 1359301428 YOBPVRSLTMAHII-GOEBONIOSA-N 409.556 1.497 30 10 HDEE CC(C)C(=O)N1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1359614379 BZIMZKLDTPOVSP-UHFFFAOYSA-N 420.477 1.943 30 10 HDEE CC1(C)CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1360818536 GNFZFCWADMZXQP-NXVVXOECSA-N 402.499 1.717 30 10 HDEE Cn1nc(I)cc1C(=O)N1CC(Oc2ccc(C#N)cc2)C1 1447482974 ZPOKVXJUHGTUOT-UHFFFAOYSA-N 408.199 1.800 30 10 HDEE Cn1[nH]c(C2CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2)nc1=N 1448393238 QRZCDPMSFHLFDM-OAHLLOKOSA-N 419.530 1.911 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1sc(N2CCOCC2)nc1-c1ccccc1 1450265850 DNBYHLKEJYWPLH-CQSZACIVSA-N 402.476 1.757 30 10 HDEE N#CC1(CNC(=O)c2ccc(I)cc2-n2cnnn2)CCC1 1451672356 ZMBSTNUDTFENAU-UHFFFAOYSA-N 408.203 1.691 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1OC 1452656129 CYBCFUMXGZEVGG-ZWKOTPCHSA-N 405.495 1.502 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CC[C@H](NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)C1 1452898715 CXRQGHSFOGYKET-KGLIPLIRSA-N 421.519 1.742 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)c1 1454043696 RBIZTQYRWAXZPT-AWEZNQCLSA-N 402.398 1.881 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1nc(C(=O)OCC)n[nH]1 1457743032 JTQMTOZCKWHXMA-JTQLQIEISA-N 401.851 1.634 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1462108741 JUFBTZLKLBLYJR-KXBFYZLASA-N 408.476 1.557 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1464772467 OSYLQOUDCKOIHH-RTBURBONSA-N 406.504 1.842 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C1=CCN(C(=O)OC(C)(C)C)CC1 1466063458 AWPUFOANETWBHN-OAHLLOKOSA-N 412.494 1.953 30 10 HDEE CN(C)CCSc1nc(CC(=O)N(C)CCCc2[nH]nc(N)c2C#N)cs1 1466130302 HBSFZAPKIFGEIN-UHFFFAOYSA-N 407.569 1.607 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)C(=O)OC 1467514838 BFTBLQPDIWQIHF-LBPRGKRZSA-N 401.341 1.778 30 10 HDEE CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)N[C@H]1CCCN(O)C1=O 1468454499 VZJITSDPKFOGSK-STQMWFEESA-N 400.522 1.847 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1cccc(C2(C)OCCO2)c1)c1cc[nH]n1 1468541882 GIRKYTJSKDBRJB-UHFFFAOYSA-N 416.434 1.229 30 10 HDEE CS(=O)(=O)C[C@H]1CN(C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CCO1 1469865530 DRKWDCZCNMIUDM-OFLPRAFFSA-N 422.507 1.098 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(CN3CCC(C(N)=O)CC3)cc2)nn1 1470518713 PMEWKFZTKKIPON-UHFFFAOYSA-N 411.510 1.161 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCn1nc(C(F)(F)F)cc1C)c1cc[nH]n1 1471890229 ASRYIZIDERATKP-UHFFFAOYSA-N 416.360 1.034 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NC[C@@H]3CN(C4CC4)C(=O)O3)CC2)c1 1478879496 NALBSGUNJLSDFE-GOSISDBHSA-N 411.462 1.902 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 1478895494 DUYPFLSXYSOKEB-GOSISDBHSA-N 416.459 1.889 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCCO 1495771918 CIJYAUNHWYBGAG-KRWDZBQOSA-N 413.526 1.784 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1 1504887800 DTSUCEIOSJUZBV-MRXNPFEDSA-N 421.498 1.734 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1CCN1CCOC[C@H]1C 1504888399 QAFYOPSVSLIOEH-MSOLQXFVSA-N 406.531 1.259 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@H]2CF)C1 1505128520 ZJBJOMGBUNYKML-USXIJHARSA-N 419.482 1.883 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCS(=O)(=O)C1 1507511822 AIHWMEMDUQOWEX-CABCVRRESA-N 409.556 1.479 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CC(=O)NCC=C 1507612749 VQICTAPBKROUFT-UHFFFAOYSA-N 416.526 1.764 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCSCC(C)C 1507616096 FWBOSPXTLKMQLV-HNNXBMFYSA-N 415.585 1.070 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@]1(O)CCN(C)C1 1507623348 VTHJVDVXNGASHH-VWKPWSFCSA-N 418.542 1.185 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCSCCCO)CC1 1507727644 KHQJJBLOAFROMA-UHFFFAOYSA-N 420.608 1.505 30 10 HDEE C#CCSCCn1c(CC2CCCC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507754821 HCPUXKHRLODZLT-UHFFFAOYSA-N 418.611 1.587 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1C[C@H]1C 1507773730 VQBUGBCCWJLERF-PASDCYSWSA-N 407.540 1.259 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N(C)CC(=O)N1CCOCC1 1507841111 WMJOKPVBUVVJTR-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1507878165 JHAFXEOZKBCOKF-FQEVSTJZSA-N 418.519 1.660 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1507967034 GKCFJURDGLBTEZ-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](C(=O)OC)C1 1508141856 PIKFSUYJFARURP-HUUCEWRRSA-N 412.512 1.120 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2CC[C@H]1C2 1508143462 LCCMSWTZWKKBII-IRXDYDNUSA-N 404.540 1.729 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1509951170 VVMBZHGPWSSYDP-BTYIYWSLSA-N 407.478 1.945 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCCC1 1517346400 CAOPJSNDHMPBHG-UHFFFAOYSA-N 402.524 1.393 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2snnc2C)CCO1 1518913451 DCWHZMSEPNOKJL-INIZCTEOSA-N 411.491 1.877 30 10 HDEE COCCN1C[C@H](Cn2c(Cc3cccnc3)nnc2N2CCC(C#N)CC2)CC1=O 1519214562 BJQLBTUJYGMJOE-LJQANCHMSA-N 423.521 1.499 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1527219124 DSHDQCZRVPEPDH-UHFFFAOYSA-N 400.485 1.721 30 10 HDEE C=CCN(C(=O)CCN1CCCS1(=O)=O)[C@@H](Cc1ccccc1)C(=O)OCC 1529014800 OCRSDVRBLVUUEO-SFHVURJKSA-N 408.520 1.601 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NCc2cccc(Oc3ccc(F)cc3)n2)C1=O 1531042160 WSIJPFMVOWONRX-UHFFFAOYSA-N 412.377 1.606 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1539324219 QYZAGEGPDATAOW-MSOLQXFVSA-N 419.551 1.407 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CC1([S@@](C)=O)CCC1 1539333827 LYEBDTMKHYNYID-GDLZYMKVSA-N 412.563 1.904 30 10 HDEE COCCOc1ncccc1CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1542350772 QZINTRQMVVRRJR-UHFFFAOYSA-N 407.423 1.473 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(O)CCCN(Cc4ccccc4)C3)CC2)c1C#N 1556216921 JLSLQAGBAKQLEL-QHCPKHFHSA-N 422.533 1.276 30 10 HDEE CC(C)(O)[C@@H](Oc1ccccc1)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1556457310 BRMCZQQJYACWDF-PMACEKPBSA-N 407.470 1.994 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)C12CCC2 1557496181 CVSGRKFNBFRIPA-ZDBRSUKYSA-N 418.494 1.951 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](O)(Cc2nc(CC)no2)C1 1557552183 ZMIYXDCFGAESOY-QVKFZJNVSA-N 420.510 1.835 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558806469 QLNSXIJRJCDOBE-LSDHHAIUSA-N 417.466 1.287 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1 1561154637 HVAMQERTUYGGTM-FRRDWIJNSA-N 405.460 1.491 30 10 HDEE COC(=O)CC[C@H](NS(=O)(=O)c1c(C)cc(F)cc1C#N)C(=O)OC(C)(C)C 1561708657 GOCDVOXXLIIHOY-AWEZNQCLSA-N 414.455 1.948 30 10 HDEE COC(=O)c1ccc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nc1 1567979565 CXGSRIGIEGMQNX-LBPRGKRZSA-N 416.459 1.002 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@]2(CCS(=O)(=O)C2)C1 1570697661 YCAFDNNLUXPFQX-KXBFYZLASA-N 416.540 1.652 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3Cc4ccc(C#N)cc4C3)CC2)cn1C 1584865153 HCMBSIKZOCVTTG-UHFFFAOYSA-N 413.503 1.543 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ncc3c(c2C#N)COCC3)C1=O 1585440567 IFNINRCZYNCRCC-NRFANRHFSA-N 405.414 1.432 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)nn1 1586525178 SMHHFWTVTPIJKI-UHFFFAOYSA-N 405.480 1.300 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1587562673 RVHXNRPVPABOEI-CHWSQXEVSA-N 407.496 1.109 30 10 HDEE CN(CC(=O)NC1(c2cccc(C#N)c2)CCOCC1)S(=O)(=O)c1cccnc1 1587613249 BXUJDZLOOYQHAE-UHFFFAOYSA-N 414.487 1.396 30 10 HDEE C#CCN(c1nnc(CC)n1CCOc1ccc(Cl)cn1)[C@H]1CCS(=O)(=O)C1 1588059952 XMCKPIVSBVOBHV-HNNXBMFYSA-N 423.926 1.595 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cccn2C)nnc1N1CC[C@H](S(C)(=O)=O)C1 1589514455 GLXSZSQTBLCAFI-RYRKJORJSA-N 419.551 1.888 30 10 HDEE C=CCCOCCn1c(N2CCO[C@@]3(CCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1594829368 INWWMGKVIIFYFW-LEWJYISDSA-N 422.526 1.519 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1594857665 NVKXIVFRDBNONN-ZDUSSCGKSA-N 424.502 1.080 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CC[C@@H](S(=O)(=O)NCC)C2)cc1 1595608375 SCYDEPUSBDHKMA-GOSISDBHSA-N 405.524 1.718 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1598350213 IOEAJBIAADEZFE-ZBFHGGJFSA-N 402.447 1.825 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCNC(=O)C(C)C)CCOC1 1610334864 FPZNVUWIWPHNIF-OXQOHEQNSA-N 406.531 1.829 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1611314189 HYKSOHLJZXXPFJ-JKSUJKDBSA-N 402.524 1.827 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)c3ncnc(O)c3Br)C2=O)cc1 1611526984 APQPUPRBKYCLAH-GFCCVEGCSA-N 416.235 1.742 30 10 HDEE C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781082 MPQILNGSQLMHMS-HOCLYGCPSA-N 418.494 1.260 30 10 HDEE N#C[C@]12CN(C(=O)Cc3ccc(NC(=O)C(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1616336403 NEYXFSPAIRNRRS-BLLLJJGKSA-N 415.393 1.127 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1 1620041602 NHSNEFUFMWKUTB-JXFKEZNVSA-N 416.457 1.692 30 10 HDEE CON(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1620121834 AWUIESWYRDKNSW-ZPHPHTNESA-N 407.434 1.950 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1620656216 GTYZHDNOZZLDTL-GJZGRUSLSA-N 403.545 1.776 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)nn2[C@H]2C[C@H]3CC[C@H]2C3)CC1 1623300017 RDNBBDXBVHZMKL-ULQDDVLXSA-N 420.539 1.170 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CCO3)CC1 1627417163 HPPSWOAACNYQTG-VBKZILBWSA-N 407.467 1.318 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C[C@@H](C)C(=O)OC)C2CC2)s1 1627698980 XWFGUWIADTXEFN-GFCCVEGCSA-N 400.522 1.555 30 10 HDEE COC[C@]1(C(=O)OC)CCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1629275299 RXRNHDDMRBVDLS-NRFANRHFSA-N 408.495 1.818 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2cc(F)c(C#N)c(F)c2)CC1 1630749899 CCDGICNTKWCBOM-UHFFFAOYSA-N 408.405 1.646 30 10 HDEE C[C@@H]1CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C[C@]1(C)CO 1633312925 WTGKNQWXUIVPCH-FOIQADDNSA-N 407.536 1.762 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(O)CCC(F)(F)CC1 1633690883 CJWHLIIVTAOLHI-GFCCVEGCSA-N 401.435 1.282 30 10 HDEE CCC[C@@H](CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCC 1635267151 CUCFAHDGZATKBW-AWEZNQCLSA-N 409.508 1.601 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)NCC(=O)NCCN1CCCCC1 1635481111 NOIYUEMMUOOITJ-UHFFFAOYSA-N 411.506 1.769 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N(C)CCc1cccc(C#N)c1 1638314714 FTKZSDKMCHXOQS-UHFFFAOYSA-N 421.501 1.517 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)NCc2cncc(C#N)c2)c1 1638830761 PIJMZKPIXFTKJV-UHFFFAOYSA-N 409.265 1.554 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CC[C@@H](N4CCN(C)CC4)CC3)cc2C1=O 1639181406 CJJZBFGGEOMROJ-HDICACEKSA-N 410.518 1.757 30 10 HDEE CC(C)(C)OC(=O)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)nc1 1639331784 GSCDLMFEWAGDPP-UHFFFAOYSA-N 416.459 1.826 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2c(I)n[nH]c2C)c1C#N 1641124778 UHRWJQPUPFKQLT-UHFFFAOYSA-N 413.223 1.322 30 10 HDEE C#C[C@H](NC(=O)[C@@H](NS(=O)(=O)c1cccs1)[C@@H](C)O)c1ccc(Cl)cc1 1642102759 ASZZNNXMYMDTMO-WPGHFRTFSA-N 412.920 1.920 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nn1 1643049589 GGFYPZXEIGZHNB-ZDUSSCGKSA-N 404.496 1.449 30 10 HDEE CN1C(=O)COc2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c21 1643484338 FDQICSZQUZOYNA-UHFFFAOYSA-N 414.443 1.109 30 10 HDEE C#CCN(C(=O)Cn1nc2n(c1=O)CCCC2)C1CCN(C(=O)OC(C)(C)C)CC1 1644789357 DWUXWMZDFRGIPB-UHFFFAOYSA-N 417.510 1.242 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cnn2c1CCCC2 1647487918 BMLNFFGMBHGUID-UHFFFAOYSA-N 401.492 1.355 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCCN(CC(=O)N(C)C)CC1 1648330589 JTXMVJHUYXLKOB-SFHVURJKSA-N 415.538 1.426 30 10 HDEE COC(=O)[C@H]1CN(C)CCN([C@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1654754760 GYYOCQNBAPYMJW-SJORKVTESA-N 402.495 1.367 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H](c3ncccn3)C2)CC1 1655712509 HBXXXQZDWRTZAQ-AZUAARDMSA-N 408.481 1.814 30 10 HDEE CCCN(C(=O)[C@@H](C)N1CCc2c(sc(N)c2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1655797231 PJQGFYZFUWRKRR-CHWSQXEVSA-N 410.565 1.374 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(-c3ccccc3)cnc2C)CC1 1668529913 OZOWQLCUJFEPBX-UHFFFAOYSA-N 413.503 1.674 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C(=O)Nc3ccc(C#N)cn3)CC2)cc1 1672082097 GIZKUTFZHXSDHJ-UHFFFAOYSA-N 401.448 1.500 30 10 HDEE CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C(=O)NCc2nc(C#N)cs2)C1 1676393434 VAYNVMZCDGPCGV-CQSZACIVSA-N 409.512 1.918 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)C(C)(C)c2ccccc2)CC1 1679251287 UQQPRYIUBMJWML-SFHVURJKSA-N 406.552 1.538 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CC(OCC)C1 1680720664 WYSZQJWZXSRCMQ-UHFFFAOYSA-N 409.527 1.243 30 10 HDEE C#CCN(C(=O)NC[C@H](CC(=O)OCCC)CC(C)C)[C@H]1CCS(=O)(=O)C1 1686976389 IODNVTZMUBAFNN-IRXDYDNUSA-N 400.541 1.824 30 10 HDEE C#CCCCCn1c(Cc2cccnc2)nnc1N1CCN(S(C)(=O)=O)CC1 1689898216 WWQABXBDGUXCFU-UHFFFAOYSA-N 402.524 1.149 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCOC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1689988361 NOONJHWQHRDTBT-BZSNNMDCSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1689999866 KDSYKIMLOVGRQJ-GOSISDBHSA-N 419.489 1.257 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1Cc1csc(COC)n1 1690025060 CBLRJPHITMZOJD-UHFFFAOYSA-N 409.519 1.864 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1(C(N)=O)CCCC1 1690026826 MTGIFRUTWHQESL-UHFFFAOYSA-N 421.501 1.984 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1(O)CCN(C(C)C)CC1 1690057535 BDHSOQDGVUOVCF-UHFFFAOYSA-N 418.586 1.891 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CCOCCN(C)C)CC1 1690115352 BVUNBJRPTUAHIA-UHFFFAOYSA-N 416.957 1.932 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCCCS2(=O)=O)CC1 1690120473 WBSPPIGMPLZLDZ-SFHVURJKSA-N 414.535 1.063 30 10 HDEE C=C(Cl)Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1690350505 MBWMZXRGLRGAOV-UHFFFAOYSA-N 420.945 1.691 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](C(N)=O)C1 1690510938 JYRRFUDLYIBWKM-QGZVFWFLSA-N 401.515 1.434 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CC1(O)CCS(=O)(=O)CC1 1690533779 VWVKOJIRUHPXRO-UHFFFAOYSA-N 424.498 1.558 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2OCCC2(C)C)CCOC1 1692591836 FIOLTQDAOSPGJI-LLGFUMIMSA-N 419.526 1.863 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)cs1 1693362774 WYEATVGMPXMPSG-WMLDXEAASA-N 406.537 1.231 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)N(C)C)C1 1694884676 GDFUDZCWXPZLTH-OAHLLOKOSA-N 402.524 1.944 30 10 HDEE CCCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1695434069 ZSBGVNNCEGQMGJ-SJORKVTESA-N 403.531 1.410 30 10 HDEE COCCCn1c(-c2cccn2C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1697999629 YRKNTITWHHDODP-INIZCTEOSA-N 421.509 1.697 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCN1CCCCC1 1705550104 BINJAYIBROFHQF-UHFFFAOYSA-N 415.567 1.794 30 10 HDEE C#CCN1CCN(c2nnc(-c3sc(N4CCOCC4)nc3C)n2CCC)CC1 1705635303 VXLWABHRKUNFCH-UHFFFAOYSA-N 415.567 1.712 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1705737326 OKVGVNCKOYVAAD-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1c(CC)noc1C)C1CC1 1705849383 LACOQSCGGCYUCO-LBPRGKRZSA-N 408.528 1.950 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccco1 1705879900 OUOMNRURAQSOBC-HXUWFJFHSA-N 403.483 1.654 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H]1CCC(=O)N1 1708532873 VJHJJWHXSNAQHQ-BZUAXINKSA-N 423.525 1.447 30 10 HDEE CCN(C[C@H]1CCCO1)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1710114068 RYQFRNHQXOCRCI-DZGCQCFKSA-N 422.511 1.407 30 10 HDEE CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1711399418 HUHMCKRVGURLSP-UHFFFAOYSA-N 417.477 1.069 30 10 HDEE COc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1OC 1711930020 FJBQPKKJPHDHLW-CABCVRRESA-N 412.450 1.023 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1722280610 WTMHLEMODCDADM-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(OC)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722362659 VQHHMHFFFMPILZ-MRXNPFEDSA-N 417.535 1.859 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COCC2 1722413524 NKPHPIYDDJVGEJ-SFHVURJKSA-N 414.531 1.761 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccc(N3CCCC3)nc2)CC1 1722441249 JALRAEMMLCDJHR-UHFFFAOYSA-N 409.538 1.613 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(C)CCCO2)CC1 1722447546 JMNQQGBMOAZEMU-AVRDEDQJSA-N 415.538 1.707 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1722510740 UNEQTRJVEHABOI-ZOBUZTSGSA-N 414.514 1.354 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1722533653 CBURZUPZBSHPHC-QZTJIDSGSA-N 402.499 1.656 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(C)CCOC 1722638989 VIHOAFLVLYYQEE-UHFFFAOYSA-N 411.510 1.392 30 10 HDEE C=CCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722691293 RFZYADQPIHRDAA-RXVVDRJESA-N 405.543 1.663 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@@]1(O)CCN(C)C1 1722861639 AHIUBACMFRXYLU-OPAMFIHVSA-N 420.521 1.998 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(O)CCSC2)CCOC1 1722863164 IDSQRNYTCKFUQM-MNEFBYGVSA-N 409.556 1.783 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@](C)(C(N)=O)C3)n2Cc2ccc(C#N)o2)cs1 1725319886 PUSVVZNCAYLMSH-IBGZPJMESA-N 411.491 1.849 30 10 HDEE CCN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1728263985 MIGNCPWFKLWAHZ-UHFFFAOYSA-N 411.510 1.880 30 10 HDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1729108831 IERSAGODHHNUKD-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CN1CCCC1 1730875762 MGZXCSYQYJYRJC-ROUUACIJSA-N 420.558 1.853 30 10 HDEE COCCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1730891496 PYMKPKXGJZGONQ-SFHVURJKSA-N 422.493 1.625 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCOC(C)(C)C1 1730933162 OMWNXAFCMZUOIR-SQNIBIBYSA-N 420.558 1.709 30 10 HDEE C#Cc1ccccc1CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C[C@H]1OCC 1739939314 KKSAGVYEOMAOSA-KWTHKWNPSA-N 422.525 1.614 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1740589945 DDMGJCKEZJRDPQ-MRXNPFEDSA-N 407.496 1.254 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@@](C)=O)CC1 1740608857 JDLRAGZKRSHXKE-GDLZYMKVSA-N 410.503 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(-n2cccn2)c1 1740644317 BASIPFUYDPIYQN-UHFFFAOYSA-N 416.489 1.508 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)nc1 1740685637 IZGLMHPXJFPOIM-KRWDZBQOSA-N 403.508 1.018 30 10 HDEE C=C(Br)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](COC)C1 1740738078 CWCMJZDQSHBMMR-RYUDHWBXSA-N 422.349 1.270 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740761495 XDZSGXWVAFMZPD-PXNSSMCTSA-N 404.559 1.468 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCCCO2)n1CCNS(=O)(=O)Cc1ccon1 1740898650 TUUFYOIRYFAYIY-OAHLLOKOSA-N 410.500 1.250 30 10 HDEE C=CCn1c(N2CCN3C(=O)NC[C@H]3C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1740949561 KPWRIBCZBQYOPL-ZNMIVQPWSA-N 417.514 1.449 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(=C)CC1 1740995158 BVWBEPDURLEXCE-IRXDYDNUSA-N 410.540 1.759 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@H]1OCC[C@H]1C 1741919406 FZKQTULHYLKDOP-IIAWOOMASA-N 410.544 1.443 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(O)(C(F)(F)F)CC1 1748731446 DBGYBBWHVUAEPU-LBPRGKRZSA-N 423.461 1.195 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1748745121 GOAHZUNNDTYXAR-UHFFFAOYSA-N 404.540 1.937 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1nc2cc(OC)ccc2n1C 1748765708 RDRPZHGSNXOGNJ-UHFFFAOYSA-N 407.478 1.527 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@]1(O)CCC[C@H]1C 1748951126 SVRAFNNLLWWHQO-UIFIKXQLSA-N 406.527 1.567 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](SC)C(C)(C)C)CC1 1748991057 PLYZTIGLLKQVCW-CVEARBPZSA-N 404.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CC[C@@H]2CCOC2)CC1 1748993622 FTLTVGDUDDOEPU-QGZVFWFLSA-N 400.552 1.816 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCOC1CCOCC1 1749064819 KXGVLCXIAKRCGU-LAUBAEHRSA-N 401.511 1.807 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(N2CCCC2=O)CC1 1749193789 RLIAJONSAJVKET-OAHLLOKOSA-N 407.540 1.348 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749220298 DJACLVLPAGNOCN-CVEARBPZSA-N 400.483 1.811 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1)C1CC1 1749524796 DIKHHFRWPBCHLO-UHFFFAOYSA-N 402.543 1.666 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1749650856 IHRIJOZQADURGR-ARFHVFGLSA-N 424.571 1.207 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(F)cc3)n2C[C@]2(O)CCOC2)C1 1749719473 WDYBCWYCFNYFLN-GHTZIAJQSA-N 418.469 1.929 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(Cc2cccnc2)nnc1N1CC=CCC1 1750417095 AEINWAAAPUXOPR-FMQUCBEESA-N 405.462 1.557 30 10 HDEE Cc1nccn1CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1751812156 GJAPUCMUDDFVOT-LJQANCHMSA-N 418.461 1.663 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCO[C@H]1CCOC1 1751983282 OXSJUCDOHUEUAJ-APWZRJJASA-N 424.505 1.679 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1C[C@@H](c1ccccc1)N1CCOCC1 1760160362 ALQVKEIYRMLXCS-IBGZPJMESA-N 410.522 1.559 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(C)C 1760206066 QDYJZDIAXQSPDY-DLBZAZTESA-N 415.519 1.149 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CCN1CCOC(C)(C)C1 1760224244 CNNYRHQIRKXDFT-UHFFFAOYSA-N 404.559 1.767 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1760252573 RXGAIZRMSHJDKZ-DYESRHJHSA-N 402.543 1.519 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(CC)(CC)OC)CC1 1760259743 PMSRMWKBQRNQHO-QGZVFWFLSA-N 423.583 1.141 30 10 HDEE C=C(Br)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)C1 1760306194 DHQLPCXFWZNWKU-AWEZNQCLSA-N 412.332 1.995 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1760346716 AHXDMYVKSVVIQI-UHFFFAOYSA-N 409.538 1.584 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC1COC(C)(C)OC1 1760349044 XBROXCKVMUASBB-UHFFFAOYSA-N 421.542 1.942 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCN(C)S(=O)(=O)CC)CC1 1760391807 RSVWOESQZGQPKG-UHFFFAOYSA-N 424.571 1.229 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760428137 PTMHGOJZLNCGHK-ROUUACIJSA-N 416.570 1.927 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCCS(C)(=O)=O 1760437416 CMRMJVVWQXNJBQ-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1760516735 UOXUPDRUOMLFMR-HNNXBMFYSA-N 405.547 1.724 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@](C)(OC)C1 1760548446 GVIOMRCVHWFMFO-SFHVURJKSA-N 413.544 1.022 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(C)nnc2N2CCN(c3ccccc3C#N)CC2)CC1 1765494698 DYZUTMONMLUFKV-IBGZPJMESA-N 422.581 1.811 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CCC2)C1 1771347425 GDFXMMYEJWQUEM-MRXNPFEDSA-N 401.492 1.355 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccsc3)n2CCCO[C@H]2CCOC2)CCO1 1771538364 BITSVEPRXPYTAK-IRXDYDNUSA-N 403.508 1.855 30 10 HDEE CN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ccc(C#N)cc1 1852459269 AFZBNOSTHJMMNP-ZDUSSCGKSA-N 404.414 1.630 30 10 HDEE CC(C)(C)n1ncc(C#N)c1NC(=O)c1cccc(N2CCS(=O)(=O)CC2)c1 1852693071 GNSNAFFVGRYMGM-UHFFFAOYSA-N 401.492 1.997 30 10 HDEE C=CCC[C@H](C)C(=O)N1CC[C@@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854199212 HRIVXMLDVPZCIV-PKOBYXMFSA-N 419.547 1.723 30 10 HDEE COc1ccccc1C(=O)N1CCC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854368107 FUDGDKVNDMDVRH-SFHVURJKSA-N 406.442 1.856 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN([C@H]3CCC(C)(C)C3=O)C3(CCCC3)C2=O)CC1=O 1854494406 QPSRKOAEXAKNBK-SJORKVTESA-N 415.534 1.762 30 10 HDEE N#CC1CCN([C@@H]2CCCCN(C(=O)c3nccnc3N3CCOCC3)C2=O)CC1 1855606287 MVXVUZUURCVVLZ-QGZVFWFLSA-N 412.494 1.070 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3C[C@H](CN4CCC(C#N)CC4)CC3=O)nn2)n1 1855905725 FNFDXQOXYMRRDL-KRWDZBQOSA-N 407.478 1.503 30 10 HDEE C[C@@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C2(CCCC2)C1=O 1856266269 GRLNVWVYHWADOB-ZBFHGGJFSA-N 401.488 1.887 30 10 HDEE CN1C[C@H](CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)CC1=O 1856321477 VRUJYIMNZFROAO-CRAIPNDOSA-N 409.490 1.132 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)Cc3ccc4c(c3)OCO4)C(=O)C2)cc1 1856322084 KAXACDCQHDATHP-UHFFFAOYSA-N 407.426 1.579 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CC(c4nnc5ccccn45)C3)CC2=O)cc1 1856680346 ZCBLZSFQPNNPQK-INIZCTEOSA-N 400.442 1.689 30 10 HDEE CN(C[C@@H]1COCCO1)[C@@H]1CCCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1856724066 XVSDYBUHQVHAMV-CRAIPNDOSA-N 405.882 1.884 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H]2CON(S(=O)(=O)c3cc(C)ccc3C)C2)CC1=O 1856791890 KPASOLCCXQEEOY-HOTGVXAUSA-N 408.476 1.186 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CON(S(=O)(=O)c3cc(C)ccc3C)C2)CC1=O 1856791892 KPASOLCCXQEEOY-JKSUJKDBSA-N 408.476 1.186 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@H](C)n3nc(C4CC4)ccc3=O)C(=O)C2)C1 1856844946 WVLCSLXXQKYEIX-FUHWJXTLSA-N 413.522 1.003 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)C1)[C@@H]1CCN(C)C1=O 1857240852 YSWHLXHTNHVNEY-GDBMZVCRSA-N 409.477 1.906 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CCCS2)C1)C1CN(c2nccnc2C#N)C1 1857417433 ACUFRMNJURNLMR-YOEHRIQHSA-N 414.535 1.129 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3ccc4nc(O)oc4c3)C2)c1 1858327054 LSXSUICWVMVLAR-AWEZNQCLSA-N 412.427 1.598 30 10 HDEE N#C[C@H](C(=O)CN1CCN(c2nc(N)cc(O)n2)CC1)c1nc2ccccc2s1 1859428052 HPKAFDSMGPKPIM-GFCCVEGCSA-N 409.475 1.373 30 10 HDEE CCN(CCO)Cc1cc(=O)c(OCc2ccc(C#N)cc2)cn1CCOCCO 1870349763 CCFNFMJBLJTNEO-UHFFFAOYSA-N 415.490 1.122 30 10 HDEE CC(C)([C@H](NC(=O)OCc1ccccc1)C(=O)O)[S@@](=O)CC12CC(C#N)(CO1)C2 1882554224 JGEHNEAYFRYYOX-ZYJCISMWSA-N 420.487 1.966 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cnn4c3CCCC4)CC2)CC1 1889262032 JRRJCXWHVUNFDA-UHFFFAOYSA-N 413.566 1.482 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cc(=O)c2cc(Br)ccc2o1 1889864049 ZTOAJLUKZAOWII-UHFFFAOYSA-N 405.248 1.621 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccc(Cl)n3)CC2)CC1 1890975178 MPOZPFOBELDLAX-UHFFFAOYSA-N 404.942 1.997 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1893409666 YHGIHNKZIHNBML-UHFFFAOYSA-N 406.504 1.683 30 10 HDEE C#CCOCCOCC[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074704364 GRUPDZSNLMEBMJ-JYRCXFKTSA-N 411.476 1.171 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC2CC3(C2)C[C@H]3NC(=O)OCc2ccccc2)C1 2142142051 BMTHGAFJKDKPPW-BOHSKOPMSA-N 418.519 1.904 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)C[C@@H]3C[C@H]3C(F)(F)F)s[nH]2)OC1(C)C 2166426050 XGPPVMCKGDAVDD-JGVFFNPUSA-N 413.252 1.199 30 10 HDEE Cn1nnc(Br)c1C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2185158532 ITLXMYSMKISSNE-UHFFFAOYSA-N 421.104 1.807 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCO[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]21 2185571312 PGRSUEVEFWULCX-PMPSAXMXSA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCCC[C@@]2(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1 2236960171 QKHCKBJPTDNANA-OAVHHTNSSA-N 402.513 1.680 30 10 HDEE CC1(NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)CN(C(=O)OC(C)(C)C)C1 2243385909 QVPLOPLCRQPZFD-UHFFFAOYSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CCOCCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247829303 TUOMOECSLCKVIS-UHFFFAOYSA-N 422.291 1.333 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)CC1 2247834844 BSCRHKLHNYGFKP-UHFFFAOYSA-N 418.303 1.563 30 10 HDEE C=CCC1(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258155886 ZUDHEWSTZIUJKI-MRXNPFEDSA-N 410.492 1.873 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)N[C@@H]1CCC[C@H]1C#N)NC(=O)OCc1ccccc1 2258167087 DUXXMDHBKRIBMH-ARFHVFGLSA-N 409.464 1.066 30 10 HDEE CC(C)(C)C#CCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258172953 KENLVWBEXBVEPZ-INIZCTEOSA-N 410.492 1.725 30 10 HDEE CN(Cc1cnns1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267725354 XUTANJMAENWMEY-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](CO)[C@@H](CO)C3)c2Cl)OC1(C)C 2281942099 HXTMYTQREMYDBN-PHIMTYICSA-N 401.721 1.374 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3C[C@@H](O)C[C@]3(C)CO)c2Cl)OC1(C)C 2282056646 VOWNOZGJRHSCBM-DYZYQPBXSA-N 401.721 1.659 30 10 HDEE C=CCC[C@@H](CO)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282309505 GKBQZBCXSDRCNR-ZDUSSCGKSA-N 401.359 1.961 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C1CCNCC1 2282333505 PQRGXAIZIADXSP-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CN(C)C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282345558 HTFCOBVTFVVZEW-BETUJISGSA-N 400.375 1.666 30 10 HDEE CC(C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282425186 MGMMLMZBUUJERT-NSHDSACASA-N 402.347 1.239 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCO[C@@H]2CCOC2)OC1(C)C 2282490017 IMCVCLHDGGPIQK-GFCCVEGCSA-N 403.331 1.131 30 10 HDEE C[C@@H]1OCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282500409 KRPSSUYZFUWGLG-RYUDHWBXSA-N 402.347 1.381 30 10 HDEE CN(C)C(=O)C(C)(C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282502916 RKBMXKCUYPTJHU-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H](C)[C@H](C)S(C)(=O)=O 2282581655 KTYAAKNXOHUKRV-JQWIXIFHSA-N 401.359 1.907 30 10 HDEE CC1([C@@H]2CCCN(C(=O)c3ncccc3B3OC(C)(C)C(C)(C)O3)C2)OCCO1 2282685616 IAKIJLUIIZRKJS-OAHLLOKOSA-N 402.300 1.996 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](C)NC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282834967 OIZMVVNEKYITOQ-OLZOCXBDSA-N 400.375 1.727 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC([C@@H](F)CO)C2)OC1(C)C 2282877803 XCGJPUUSESWEKR-ZDUSSCGKSA-N 405.322 1.139 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@]2(C)CCCNC2)OC1(C)C 2282885001 WHPKYWIWPGRITK-QGZVFWFLSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@H]3CC[C@H]3CC(=O)O)c2)OC1(C)C 2284404049 VVJBONYFBUUJQB-CMPLNLGQSA-N 401.315 1.579 30 10 HDEE C[C@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284416410 XSCABJCKMUYKKG-JQWIXIFHSA-N 401.315 1.531 30 10 HDEE CN1C(=O)C(=CNc2ccc(Cl)c(Cl)c2)C(=O)c2c1n(C)c(=O)n(C)c2=O 2297563812 DQCPALVOTPRTDX-UHFFFAOYSA-N 409.229 1.546 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)[C@H]2CCN1C2 2342893701 NMBLXTVYCGTYEK-HOTGVXAUSA-N 416.503 1.065 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365204846 OZIJOJXICWFJTH-HRCADAONSA-N 402.557 1.409 30 10 HDEE CC(C)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365207868 ATHBWJCHJNCMPH-DNVCBOLYSA-N 401.525 1.779 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](CNC(=O)OC(C)(C)C)[C@@H]1CCOC1 2367792245 MTFGISFBMNZISG-BZUAXINKSA-N 400.541 1.332 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367799930 FOTFXJVHXMEEHT-XQQFMLRXSA-N 410.458 1.940 30 10 HDEE CC(C)(C)OC(=O)NCC1(C[C@H](N)C#CC2(S(C)(=O)=O)CC2)CCOCC1 2367800240 HXRXJMYQQLQPJL-OAHLLOKOSA-N 400.541 1.606 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@H](CNC(=O)OC(C)(C)C)OC 2367800599 LAILAWJKUQDZKM-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)Nc1ccc2c(c1)C(=O)NC2=O 21076455 FAWCNRXQNOHXHW-CNHKJKLMSA-N 411.403 1.458 30 10 HDEE C[C@H](NC(=O)COc1ccc2c(c1)O/C(=C/c1ccc3c(c1)OCO3)C2=O)C(=O)O 33496321 ZARAXMQQYGOQGM-TUVHXFJTSA-N 411.366 2.000 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)c(OC)c1 55231675 XHZMAVOVGYZQOG-SFHVURJKSA-N 402.491 1.900 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccccc1S(C)(=O)=O 65975188 MNVRGNTVCZAZFA-UHFFFAOYSA-N 421.544 1.714 30 10 HDEE N#C[C@@H]1C(=O)N=C2NC(N3CCCC3)=NC(O)=C2[C@@H]1c1ccc2c(c1)OCCCO2 72461382 IOKMGXSYIWPDEI-XJKSGUPXSA-N 407.430 1.835 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 108938623 MGCDEXGSILISKG-GFCCVEGCSA-N 411.423 1.795 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)N3CC[C@@H](Oc4cc(C#N)ccn4)C3)CC2=O)cc1 238848246 IVMGDDFKVQPJDR-QFBILLFUSA-N 406.442 1.995 30 10 HDEE CCN1CC[C@@H](Nc2c(C#N)c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(Cl)c(F)c1 301997450 UGVXUIBKCVSWLM-HZPDHXFCSA-N 405.861 1.996 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(Cl)cc1C#N 438958974 WHYPJQABLWWMGO-UXOAXIEHSA-N 412.851 1.325 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)n1 439018824 FDFFFTCIDASWPP-OAHLLOKOSA-N 410.482 1.956 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)ccc1Cl 443188703 QRGJMTDMYMHNSW-GFCCVEGCSA-N 410.835 1.659 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)NCc2ccc(C#N)c(OC)c2)CC1 460573949 JSOGEFOWRXKISP-UHFFFAOYSA-N 403.479 1.521 30 10 HDEE COCc1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)cc1 461363501 NMIRBRXXGOJFQC-UHFFFAOYSA-N 420.490 1.988 30 10 HDEE CCN(CC)CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 462533644 URWCPFSBUPLXJS-UHFFFAOYSA-N 424.542 1.946 30 10 HDEE COCc1nc([C@H]2COCCN2C(=O)Nc2ncccc2OCCCC#N)no1 466614054 NQHOOIDMYYYLTH-CYBMUJFWSA-N 402.411 1.899 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)CC1 468261845 WTHWEBPJWWWPNL-UHFFFAOYSA-N 404.518 1.814 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N(Cc1ccc(C#N)cc1)C1CC1 474695525 GQSLZUZMMPBHQS-NRFANRHFSA-N 410.474 1.665 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@@H](C#N)c1ccc(Cl)cc1 475748017 FBWNPRNSRFKLFL-KBXCAEBGSA-N 404.854 1.636 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C 476996037 NNBHEEQEFIEOGY-UHFFFAOYSA-N 422.279 1.154 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(C(C)(C)C(=O)OCC)cs2)CC1 497634056 XFDDKEWSTVQWSM-UHFFFAOYSA-N 423.539 1.436 30 10 HDEE C=CCN(C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)c1nc(C(=O)OCC)cs1 501961634 OZYHCOLAYDCOGD-SFHVURJKSA-N 406.464 1.559 30 10 HDEE Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCN(C(=O)CC#N)CC2)cc1 503623539 DJNRHVXNQBGYHJ-UHFFFAOYSA-N 415.453 1.892 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 508507728 IZRJGCMMTYLVCY-HZPDHXFCSA-N 416.551 1.613 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H](C)CC[C@@H]4O[C@H](C(=O)OC)C[C@H]43)cc2C1=O 512950374 ZURRSWSQQPUNTI-QTXLCTLRSA-N 412.442 1.792 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)ccc1Cl 513446105 BSNAEIXMNLFJQY-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)[C@H](C)n2cnc(C#N)n2)c1C 539505822 ONNRUGZXCRBBNX-DLBZAZTESA-N 410.478 1.974 30 10 HDEE CCS(=O)(=O)N1CCC(CNS(=O)(=O)c2ccc(Cl)c(C#N)c2)CC1 543667247 LZRUFNMETFAYPQ-UHFFFAOYSA-N 405.929 1.552 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@H]3CCCN(c4ccc(C#N)cc4)C3=O)CC2)n1 544804729 LFMOFEYUJKOJTM-IBGZPJMESA-N 419.489 1.684 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC2)n1 544863032 KZPUIYIWRXOPRA-BXWFABGCSA-N 414.535 1.328 30 10 HDEE Cc1oc(C(=O)N(C)CCOCc2ccc(C#N)cc2)cc1S(=O)(=O)N(C)C 584016770 OYCDPNYNEGXHEC-UHFFFAOYSA-N 405.476 1.999 30 10 HDEE N#Cc1ccc(Cn2cc(C(=O)NCc3ccc(S(N)(=O)=O)cc3)ccc2=O)cc1 586552577 LVXTYXLSDYSZDY-UHFFFAOYSA-N 422.466 1.346 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OCCCN(C)C)cc2)CC1 605416760 IWFWXQSYLPQOHH-UHFFFAOYSA-N 403.527 1.469 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c(F)c1 609460095 RFTVOCHVFWWWCX-ZACQAIPSSA-N 421.494 1.423 30 10 HDEE C[C@@H](Oc1cccnc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609783459 FSMSHZFCPQVAGV-OAHLLOKOSA-N 400.460 1.254 30 10 HDEE CS(=O)(=O)NC1(CNS(=O)(=O)Cc2ccc(C#N)cc2F)CCCCC1 616408784 JLLGZUCYSWXUDI-UHFFFAOYSA-N 403.501 1.369 30 10 HDEE CN(Cc1cccc(C#CCO)c1)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703971362 VPSZODRMUFADDI-UHFFFAOYSA-N 412.467 1.088 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 732464851 BLOSHDCVOYDWCA-CZIZESTLSA-N 408.462 1.978 30 10 HDEE COC(=O)[C@@H](OC(=O)CCNS(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 740189872 NDKVGDBGYDJMIG-SFHVURJKSA-N 402.428 1.684 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 749289601 ALXFLZSWFSWZIG-SUMWQHHRSA-N 413.521 1.499 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(C(N)=O)cn2C)cc1 755188237 LFZFGOPDPNJMLC-PGMHBOJBSA-N 403.464 1.189 30 10 HDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2cncc3ccccc23)c1=O 758069724 WEGCNUZZWMEDEX-UHFFFAOYSA-N 414.490 1.217 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 758611891 GZEYNANYGZRTGD-GFCCVEGCSA-N 403.298 1.573 30 10 HDEE CCNC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2cccc(C)c2)C1 760301618 NHSFCAVOKANZNG-JKSUJKDBSA-N 417.535 1.866 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 760553731 YPIRYEVYAGQVNS-UHFFFAOYSA-N 415.457 1.369 30 10 HDEE COc1cc(C#N)cc(Br)c1OS(=O)(=O)C1CCS(=O)(=O)CC1 765234241 SIRXDWXADCKKLT-UHFFFAOYSA-N 424.294 1.615 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C)ccc1Br 765670241 WWODARXZTVOFHH-LBPRGKRZSA-N 406.323 1.569 30 10 HDEE C=CCOc1ccc(C(=O)NS(=O)(=O)c2scnc2C(=O)OC)cc1OC 768022935 CGKMJLQGVHSHPH-UHFFFAOYSA-N 412.445 1.622 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 774252133 RODQAQMHKNNTFS-OALUTQOASA-N 420.531 1.885 30 10 HDEE C#CCOCCNC(=O)C(=O)Nc1cc(Br)ccc1Br 785163557 HOJKTMZQZXXGEI-UHFFFAOYSA-N 404.058 1.916 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCO2)c1cc[nH]n1 789975034 NOWQLMJZNCVNFD-OAHLLOKOSA-N 414.418 1.786 30 10 HDEE C=CCOC(=O)N1CCC(OC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1 790845542 YXAVUZBNPBHRNK-MSOLQXFVSA-N 406.479 1.758 30 10 HDEE CNc1ccc(S(=O)(=O)NCC(=O)OCC#Cc2ccccc2)cc1[N+](=O)[O-] 791242464 FXDSZDLQGSONGD-UHFFFAOYSA-N 403.416 1.510 30 10 HDEE C=CCCN(OCc1ccccc1)S(=O)(=O)CC1CCN(S(C)(=O)=O)CC1 795176380 HYUNVGJKHCVQJH-UHFFFAOYSA-N 416.565 1.998 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(Cl)cc2F)C1=O 795976287 MREWPPBEMUWUOL-CYBMUJFWSA-N 404.847 1.673 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796424586 NGPSZKFVVVEMKW-NOLJZWGESA-N 419.482 1.052 30 10 HDEE C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NN=C3CC(=O)N4CCC[C@@H]34)nc2)C1 799472150 KPSYYVCOWIEKRF-VBQJREDUSA-N 405.524 1.911 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCS(=O)(=O)CCc2ccccc2)c(F)c1 800205639 LSPKDMLHRZFULN-UHFFFAOYSA-N 410.492 1.774 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 802512663 HKDQPDDLUGCABN-LJQANCHMSA-N 407.478 1.874 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)c1ccc(Cl)cc1F 805779102 PRGBSEVCVRGURS-CJNGLKHVSA-N 416.906 1.723 30 10 HDEE C#CCN(c1nnc([C@@H]2COCCO2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 812357633 RAXMJPPTXHFQHS-ZBFHGGJFSA-N 422.532 1.103 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1)c1ccc(F)cc1 812933571 HESZZJCIRODXPI-IBGZPJMESA-N 414.481 1.646 30 10 HDEE COc1cc([C@H](C#N)NC(=O)Cn2ncc(=O)c3ccccc32)cc(OC)c1OC 1127754335 WJFCZHHZFUJJJO-HNNXBMFYSA-N 408.414 1.803 30 10 HDEE Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)nnn1-c1cnn(C)c1 1127911277 BJOSUWXONVPNFY-QGZVFWFLSA-N 404.434 1.106 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N3Cc4cccc(C#N)c4C3)cc2S1(=O)=O 1130604065 JPABLLFVEGZSPJ-UHFFFAOYSA-N 411.439 1.505 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)CCO2)cc1 1134507362 SPYSOWDRFMRWHS-GOSISDBHSA-N 420.381 1.663 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C(=O)N2CCCC[C@H]2C)s1 1136652853 FNAIWZPTCOHPGT-KGLIPLIRSA-N 413.565 1.661 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H](CCS(C)(=O)=O)Cc1cccc(Br)c1 1141496867 VRVLIICAEBJFSR-DZGCQCFKSA-N 402.310 1.153 30 10 HDEE CO[C@H](CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCOC1 1146950586 MIGOQZNHDIFXMF-YVEFUNNKSA-N 408.296 1.925 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12 1149971631 FOWYSDVCUACKMY-INIZCTEOSA-N 415.494 1.955 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1154931060 JTFCNFBFVXIVBK-KRWDZBQOSA-N 423.558 1.586 30 10 HDEE N#Cc1cc(CNC(=O)CS(=O)(=O)Cc2cccc(Br)c2)ccn1 1156655603 JXMDQFIZCJMMNY-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1 1157893086 AFXQLINQFCMALJ-GHTZIAJQSA-N 411.483 1.917 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2C[C@@H](C(N)=O)[C@H](c3ccccc3)C2)c1 1161894074 IWJDXTFDUGAMDT-DLBZAZTESA-N 415.446 1.464 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1164262846 XRFHNUZXEYJIDU-UHFFFAOYSA-N 412.446 1.877 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccncc1Br 1170998640 BNKCIXYOSRVNFJ-UHFFFAOYSA-N 423.292 1.589 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1 1192214570 JIZAMKPTXXAJBS-UHFFFAOYSA-N 416.540 1.562 30 10 HDEE C=CC[C@@H](CO)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1220402689 QIWISWHANCWZEJ-AWEZNQCLSA-N 408.503 1.410 30 10 HDEE CC(C)(CCNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1234023432 IEPHCALQADIEQV-MRXNPFEDSA-N 406.508 1.566 30 10 HDEE O=C([C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)N1CCO[C@H](CNCC#Cc2ccc(Cl)cc2)C1 1273292007 KXIKUTPXYOEENX-YQPXSLGVSA-N 400.906 1.932 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1286301671 HFJLEVPEUMEKJY-ACJLOTCBSA-N 405.549 1.596 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nc2c(s1)C[C@@H](C)CC2 1286408014 YWQROANPLWLFKK-HOCLYGCPSA-N 408.531 1.932 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1286409201 ITELRCNROGCGAR-DYESRHJHSA-N 418.563 1.584 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCOCC2(C)C)CC1 1286479296 GRBVRSPZEBLPFH-IBGZPJMESA-N 416.570 1.386 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccccc2F)CC1 1286490710 PQKSBBNTAJPECZ-SFHVURJKSA-N 424.480 1.382 30 10 HDEE C=CCCOCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1286709380 RQDLNTUFNPLCCE-SFHVURJKSA-N 415.494 1.498 30 10 HDEE C=CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H](C)CN1CCOCC1 1286716580 HNXQTYTXOIEQRB-RXVVDRJESA-N 407.559 1.909 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC(c2ccnn2C)CC1 1286824077 VATSLWJZPSUOIR-UHFFFAOYSA-N 422.555 1.533 30 10 HDEE C=CCSCCn1c(N2CCN3C(=O)OC[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1286836134 IBBDCHZXKPQSCK-DNVCBOLYSA-N 423.539 1.490 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCOC[C@H]1CCCO1 1290863121 ADFKJAJUCJTKKL-LJQANCHMSA-N 411.510 1.766 30 10 HDEE C#CCN(C(=O)c1cc(OC)cc(Br)c1N)[C@@H]1CCS(=O)(=O)C1 1291930271 YVGWWYYPZYQTFD-SNVBAGLBSA-N 401.282 1.302 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CNS(=O)(=O)c2cc(C)ccc2C)c1OC 1293084115 NUIICQUFPLIPFU-INIZCTEOSA-N 417.487 1.980 30 10 HDEE CC/C=C\Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1293660155 UACDWNGCSMHDMF-WAYWQWQTSA-N 408.510 1.976 30 10 HDEE CCn1c(NC(=O)Cn2cc(C#N)c(O)nc2=O)nc2cc(Br)ccc21 1295196902 CSZIIDWHHCXQBF-UHFFFAOYSA-N 417.223 1.591 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1298927775 MYEBRWISYNRPAS-CVEARBPZSA-N 424.461 1.703 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cn2ccccc2n1 1300307272 DBVNDFXPAIIVBU-JKSUJKDBSA-N 412.519 1.529 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1300495706 JQTNNPASNRLLIQ-IAGOWNOFSA-N 422.551 1.104 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1CCC2(C1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1300499726 WFBFCNCTKWVOST-HZPDHXFCSA-N 408.524 1.010 30 10 HDEE C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H](C)C1O 1300565357 RYMQPPJTRVLSBI-GJZGRUSLSA-N 405.520 1.434 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOc2ccccc2C)CC1 1300681467 QSZZSSFCTYZGRA-UHFFFAOYSA-N 424.549 1.949 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CC[C@@]3(CCOC3)O2)CC1 1300725827 DSFOATRGDGNGIN-UWJYYQICSA-N 401.511 1.144 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)CC1 1301106399 UGFGXTLLDFCRAN-CQSZACIVSA-N 407.544 1.381 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(CC)CC)n2CC(=O)NCC(F)F)CC1 1301108628 UODDRQBYSLWAQM-UHFFFAOYSA-N 412.485 1.980 30 10 HDEE C=CCCOCCn1c(N2CCC[C@H](n3cnc(C(N)=O)n3)C2)nnc1C(C)(C)C 1301260139 XEYVTUITMPCETJ-HNNXBMFYSA-N 416.530 1.700 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@H](CCOC)C1 1301508178 FYIKHOZBOZMCNE-QGZVFWFLSA-N 423.521 1.682 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCSC[C@H]1C 1301508887 WVAWRSNDCBLKBO-OAHLLOKOSA-N 411.535 1.761 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1301514332 JGPWOIARWSXUDP-HDICACEKSA-N 413.478 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](OC)C1 1301585880 CULBPACNGJSFBA-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCn2ccnc2C1 1301953100 QEQGFKUVKIDFMF-CVEARBPZSA-N 419.493 1.980 30 10 HDEE N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n[nH]c1C1CC1 1302306357 ICKIZZUREMRUEN-UHFFFAOYSA-N 402.432 1.732 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCCCC1 1303818558 CQYKEHUNUZGHQI-OAHLLOKOSA-N 424.571 1.714 30 10 HDEE Cc1nnc(CCCn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)s1 1304776131 ZAKPZMOUDJUFJC-ZDUSSCGKSA-N 402.528 1.903 30 10 HDEE N#CC1(CNC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)CCOCC1 1313405948 BPKPBLDQIMNBBN-UHFFFAOYSA-N 402.470 1.932 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1OC 1316330778 JEDFXPMDIAQYNG-KSZLIROESA-N 424.505 1.581 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CCCNC(=O)c1ccc(F)cc1F 1353197460 BCCFASMKNIFYRJ-UHFFFAOYSA-N 418.404 1.545 30 10 HDEE C#CCN(C(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)c1nccs1 1355155933 LRIAVUXNNXJXEI-UHFFFAOYSA-N 421.500 1.453 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1358893313 RWNYJXONKQADQK-MRXNPFEDSA-N 424.530 1.678 30 10 HDEE C#CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)NCC)CC1 1358914779 GUFWNZXBXJWZJI-UHFFFAOYSA-N 409.538 1.326 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1358962972 ZWTHVZFGQSYBQV-CABCVRRESA-N 405.524 1.046 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C)n2)n1CCS(=O)(=O)NC(C)C 1358976854 UHRVOJCCFAEXLT-UHFFFAOYSA-N 400.508 1.049 30 10 HDEE C#CCN(CC#CC)c1nnc(CCc2ccccc2)n1CCNC(=O)c1cc[nH]n1 1358996600 KQVYUZIEIGJPDD-UHFFFAOYSA-N 415.501 1.679 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(F)c(COC)c2)CC1 1359034638 YOBRYGQKXFRJHU-UHFFFAOYSA-N 423.496 1.768 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCC[C@H]2C)CC1 1359043966 PFGTUHXLSPRCGQ-OPAMFIHVSA-N 410.522 1.790 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1359126457 PUHKFBACWMLSTD-QZTJIDSGSA-N 419.526 1.491 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1359131171 JYVAEORRUOOGBK-HKUYNNGSSA-N 413.526 1.485 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C[C@@H]1CCOC1)C1CC1 1359142217 CJJZGQPEELNMLK-OLZOCXBDSA-N 403.936 1.646 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccc2OC)n1CCN1CCCS1(=O)=O 1359241911 ICTDVCLJXVBHBA-UHFFFAOYSA-N 405.524 1.535 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCCO[C@@H](c2ccccc2)C1 1359299661 KPJSWOSTIYWZCY-QZTJIDSGSA-N 424.505 1.499 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC(N2CCCC2=O)CC1 1359302419 HGTZSLZMFJIFPP-UHFFFAOYSA-N 423.521 1.157 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@](=O)CC)C1 1359311594 DKMPOYLRPOYJOE-PEGYKEAPSA-N 418.523 1.475 30 10 HDEE C[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1360562987 HIGMBTMECXLPBI-HKUYNNGSSA-N 424.553 1.715 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](C1CC1)N(C)C 1360693397 HUGDFNXJNUGVJM-QOKNQOGYSA-N 423.587 1.359 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O 1437438456 CGXAQZQSNMJDSB-OAQYLSRUSA-N 417.437 1.396 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1 1452502787 WJXCUFKLNUDNDF-ZWKOTPCHSA-N 424.592 1.656 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CN(CCS(=O)(=O)c2cccc(C#N)c2)CCO1 1460547524 YCBFGCICCRYJNN-HXUWFJFHSA-N 424.519 1.391 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCN(c3ccsc3C#N)CC2)cs1)C(N)=O 1461540077 DFJYCRTYVYZTAU-NSHDSACASA-N 421.573 1.933 30 10 HDEE C=CCN(CCOC)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1463628561 HXABNPCGEGGEHN-UHFFFAOYSA-N 405.274 1.324 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCc3nccc(C(F)(F)F)n3)C2=O)cc1 1470031798 ACBGCEGGMSTHPT-CQSZACIVSA-N 418.379 1.967 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@](O)(C2(C(=O)OC)CCC2)C1 1472118586 YIDOTOPPAAYNTE-OPAMFIHVSA-N 422.522 1.990 30 10 HDEE Cc1oc(NC(=O)[C@H](C)N2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c(C#N)c1C 1473537826 YIMSSKNSTORPOP-ZDUSSCGKSA-N 404.467 1.581 30 10 HDEE COC(=O)CCN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)OC(C)(C)C 1473746950 CTNWJSBSIOAGOS-UHFFFAOYSA-N 414.458 1.493 30 10 HDEE N#Cc1cccc(CNC(=O)CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c1 1473890198 ZWQZFIRTVIRNAK-RDJZCZTQSA-N 415.437 1.616 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCCc1nc(CC)no1 1490803552 LSWZTSOIWBLNHO-MTSZKFMLSA-N 402.495 1.794 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@]1(C)COCCO1 1499184477 KRQNGMIFRRCVTM-JOCHJYFZSA-N 410.522 1.840 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1499308206 SAOCZSFMVNRJSH-LAUBAEHRSA-N 410.478 1.337 30 10 HDEE CCCN(CC1CC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1500818874 UAJCMVVLNMOMMG-ZZEZOPTASA-N 424.509 1.831 30 10 HDEE COCC[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)C1 1504779773 INLZYVXDPMSUIR-KRWDZBQOSA-N 407.482 1.756 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CCC1 1505151793 GDWWDBUTAXXTIU-BCOMRZATSA-N 412.519 1.430 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(CC(F)(F)F)C1 1507616952 QACKTVPRNXEVGD-KGLIPLIRSA-N 419.473 1.134 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCc1nnc(C)s1 1507637025 MQLYPYGWPDUKEY-UHFFFAOYSA-N 406.475 1.401 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H](O)C1 1507773582 UEIAPDOYUSRJRK-PFRQMTDMSA-N 406.552 1.723 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCSCC1 1508095082 SCVNLCVFWHTCNH-UHFFFAOYSA-N 403.508 1.721 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1508622092 GXMFQIKIBOBEMU-UHFFFAOYSA-N 405.466 1.148 30 10 HDEE Cc1cnn(CCn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)c1 1511424687 RGZXAKBLYGDNRV-XLIONFOSSA-N 415.498 1.253 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H](C)CC(N)=O 1511626608 HOOHRYAPTXDPCK-CQSZACIVSA-N 404.478 1.858 30 10 HDEE COC[C@@H]1CCCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1518858147 UUMYSMUOOFMFCM-UDJKBAMHSA-N 414.510 1.935 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)Cc2ccc(C#N)nc2)C1 1534589354 NNRCQZOUBURLID-MRXNPFEDSA-N 422.507 1.036 30 10 HDEE COc1ccc(-c2ncc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)s2)cc1 1537006825 YDWNZCFYHKJATE-SCLBCKFNSA-N 403.485 1.829 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1537736100 CTRQJRKRWIVYMK-UHFFFAOYSA-N 415.475 1.575 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@](C)(O)CCOC 1539025244 GRUMWEYXOUZTKO-AUUYWEPGSA-N 405.524 1.515 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCCCS1)[C@@H]1CCS(=O)(=O)C1 1539231624 UPQMQDHVESDYIY-HZPDHXFCSA-N 412.581 1.727 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCCn1cc(CO)nn1 1539376219 RHTDGGNQIHOIAW-UHFFFAOYSA-N 400.512 1.267 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1NC(=O)CC1(C)C 1539569672 HITKBIAZMTUDKO-DSZJKHHPSA-N 415.538 1.909 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CCN1CCOCC1 1539633244 XJYLMHFTCBUHJD-QYZOEREBSA-N 405.543 1.532 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1539714282 AFUMVMYPDMMZTB-UHFFFAOYSA-N 414.470 1.923 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1540034029 UGNVSWKSSWTHCP-IAGOWNOFSA-N 413.526 1.939 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1540036844 VNBALNGOZXWKFZ-DLBZAZTESA-N 404.515 1.668 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCOC1)C1CC1 1540113641 AGOVPNXQHXXOFV-IBGZPJMESA-N 403.508 1.576 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)C1CCN(CCC)CC1 1540861967 NGXZQVDBFPPCJE-UHFFFAOYSA-N 405.547 1.029 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H]1C(C)C 1540866360 KVKOFZFQBFFIQR-SFHVURJKSA-N 421.509 1.848 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)C[C@H]1C 1540877563 ZBUPBCFPFTYFJD-SJLPKXTDSA-N 418.542 1.121 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[S@](=O)C(C)(C)C)C1 1540881999 ZHPLHFZGEPKKTF-BCOMRZATSA-N 423.583 1.843 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(C2)OCCO3)C1 1540882118 BZGMTDLTDGYZOH-DLBZAZTESA-N 419.526 1.741 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)C)C1 1540892135 GDECMYWZXLTNDZ-JKSUJKDBSA-N 413.544 1.048 30 10 HDEE C#CCN(C(=O)[C@H](C[C@H](C)CC)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1542211054 JLMWPMVAQCDJAF-OAGGEKHMSA-N 400.541 1.965 30 10 HDEE Cc1c([C@H](C)NC(=O)CCn2cc(C#N)c(O)nc2=O)cnn1-c1ccc(F)cc1 1544580347 CLXQTFPJBYBBTE-LBPRGKRZSA-N 410.409 1.721 30 10 HDEE C#CCN(CC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 1544645216 NCGNYZMDMJBIDT-QFIPXVFZSA-N 401.507 1.610 30 10 HDEE CCCNC(=O)Cn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1547262495 RMRPABVASUBUHX-LEWJYISDSA-N 418.542 1.975 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1547900067 GGZBWNDJSZNIJG-UIAACRFSSA-N 402.499 1.339 30 10 HDEE CCOCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1548259228 ZRINQEPBFQASDI-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1555719675 IQSXPYYXUFGCHX-OAQYLSRUSA-N 410.478 1.196 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccccc2O[C@H]2CC(=O)N2)c1 1557101952 DWNDZKJFJVLJHL-KRWDZBQOSA-N 403.391 1.600 30 10 HDEE C#C[C@H](NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1)C1CCOCC1 1557577500 HDQZPEMTSGWKSX-MJGOQNOKSA-N 406.504 1.302 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1 1557674803 JBLGBGHAIOSREP-UHFFFAOYSA-N 400.456 1.505 30 10 HDEE C#C[C@H](NC(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1)C1CCOCC1 1565106469 UEQYHCPTBXUAJO-IBGZPJMESA-N 408.520 1.929 30 10 HDEE Cc1cc(OCC(=O)NCCN/C(O)=C2\N=CC=CC2=O)ccc1Br 1565630370 YODIRWNBSNPFNI-WUKNDPDISA-N 408.252 1.779 30 10 HDEE C#CCCN1CCC(NC(=O)c2ccc(Br)cc2-n2cnnn2)CC1 1565989161 ZJHANXYDKLCKLE-UHFFFAOYSA-N 403.284 1.642 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCOC[C@@H]2c2ncon2)C1 1566419141 LDMUGYXOOMJSRB-OAHLLOKOSA-N 418.251 1.740 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3c(cccc3C(=O)OC)C2)cc1 1570084390 IKXYIGNDLPSNIR-UHFFFAOYSA-N 412.467 1.583 30 10 HDEE CC(=O)NCC(=O)N1CCCN(C(=O)c2ccc(Br)cc2C#N)CC1 1586967147 IABIYBBAHAEVJC-UHFFFAOYSA-N 407.268 1.131 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 1587981181 LTMBHDJTTIJSGQ-GDBMZVCRSA-N 405.426 1.335 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1588790824 DNACMZILBZRTFI-IBGZPJMESA-N 422.533 1.195 30 10 HDEE C#CCSCCn1c(N2CCC(N(C)S(C)(=O)=O)CC2)nnc1C(C)(C)C 1589126029 VLOQPNQTIHXLMC-UHFFFAOYSA-N 413.613 1.802 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ncc(F)cn2)CC1 1594615862 LMTANJGTNKUCKE-MRXNPFEDSA-N 414.489 1.841 30 10 HDEE C[C@@]1(Cn2c(Cc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)COCCO1 1611804235 NFQDXDOALAICGU-OXQOHEQNSA-N 401.442 1.542 30 10 HDEE CCN1CCN(C[C@@H](C)CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1615911429 CXHPKFRNCUEGDP-HNNXBMFYSA-N 410.515 1.126 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2Cc2ccc(C#N)o2)CCOC1 1616142092 JXGJMPXZWIXGST-VLIAUNLRSA-N 416.482 1.261 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)cc1 1616471074 COQBDPDUMBPJSD-SFHVURJKSA-N 401.507 1.388 30 10 HDEE CCOCc1nnc(N2CC[C@@H]3CCC[C@@H]32)n1CCN/C(O)=C1\N=CC=CC1=O 1616836120 RDUVNBLFQAVJCK-JSKCELRFSA-N 400.483 1.720 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)N3CCOC[C@@H]3C#N)ccc2NC1=O 1617304112 DGOSKBGKMRIAMI-RDJZCZTQSA-N 414.462 1.829 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618731621 NZYILXAMPNEMCQ-SFHVURJKSA-N 400.442 1.885 30 10 HDEE C=CCN(CC(=O)OCC)C(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O 1623287234 KIFMHNGPRXKGGX-OAHLLOKOSA-N 411.499 1.327 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cn(C)c(=O)n2C)cc1 1626285108 CAZPGJIZNQAPLK-FXBPSFAMSA-N 419.507 1.569 30 10 HDEE COc1ncc(NC(=O)CN2C(=O)C(F)(F)c3cc([N+](=O)[O-])ccc32)cc1C#N 1626397145 WLEMPVAVSFHUMC-UHFFFAOYSA-N 403.301 1.947 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1628510429 BWZUJKRHPMCSPC-INIZCTEOSA-N 402.472 1.375 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCOCC3)nc2)c1 1629102971 KHTNTEOKHFHIFO-UHFFFAOYSA-N 413.499 1.645 30 10 HDEE COC[C@@]1(C(=O)OC)CCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1629275300 RXRNHDDMRBVDLS-OAQYLSRUSA-N 408.495 1.818 30 10 HDEE Cc1cccnc1NC(=O)CCNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 1629370727 BJRPKCCPBATJOE-UHFFFAOYSA-N 405.462 1.999 30 10 HDEE C#CCN1CCCN(C(=O)C2=NO[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1629542365 KUYSDLBDYOPYGR-NRFANRHFSA-N 404.511 1.700 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(C(C)C)nc3c2c(O)nc(=O)n3CCC)CC1 1634015992 LCQZKZMHQGXGPL-UHFFFAOYSA-N 411.506 1.812 30 10 HDEE CN(C)CC#CCNC(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1635386598 OWLJFPZWABVVNI-IBGZPJMESA-N 402.539 1.693 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)c1cc[nH]n1 1636253033 VJTKCZNPGMVDJI-AWEZNQCLSA-N 410.471 1.566 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1638023318 HCHMRXUEJZVYMY-OTWHNJEPSA-N 402.516 1.394 30 10 HDEE O=C(CSCc1nc(O)c2c3c(sc2n1)CCCC3)N[C@@H]1CCN(O)C1=O 1641379222 RJQBZVQMXYZKDG-SNVBAGLBSA-N 408.505 1.615 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc(O)nc(C2CCC2)n1 1641742442 CLJZIGDFXLVLCT-UHFFFAOYSA-N 415.475 1.195 30 10 HDEE CNC(=O)CC1(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCCCC1 1642060532 FRUWYAZKDOHEEE-UHFFFAOYSA-N 420.535 1.695 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3c(F)cccc3F)CC2)c1 1643578229 CJDRKWMCDVONHU-UHFFFAOYSA-N 419.453 1.839 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCN2CCOC[C@]2(CO)C1 1644676774 MXACQMGCRZLNDT-YCRPNKLZSA-N 418.563 1.595 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCC4(CC3)NC(=O)NC4=O)c2C#N)C1 1645173170 CRWOZMMOTLQEEB-GFCCVEGCSA-N 415.519 1.747 30 10 HDEE COC(=O)[C@@H](NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)c1ccnn1C 1646399961 VOGWVFHEGJLVMR-KRWDZBQOSA-N 408.380 1.411 30 10 HDEE N#Cc1ccc(OCc2cccc(C(=O)N3CCN4CCOC[C@]4(CO)C3)c2)cc1 1647080359 GBTNHCQSHBCGAC-HSZRJFAPSA-N 407.470 1.656 30 10 HDEE CN(C)c1nccc2c1CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)CC2 1648081627 HCBGGDDNDBWLAA-UHFFFAOYSA-N 402.451 1.782 30 10 HDEE COC(=O)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC1CCCC1 1653437454 XTYBUWIMNCGVEI-SFHVURJKSA-N 406.504 1.959 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2nc(C)nc3sc4c(c23)CCCCC4)CC1 1655796610 YRBQLZQYGWRBRA-UHFFFAOYSA-N 419.576 1.858 30 10 HDEE C[C@H](O)[C@H]1CN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)CCO1 1658969999 IDOSGZHKFBHONA-RZQQEMMASA-N 416.522 1.438 30 10 HDEE Cn1cc(C#N)c(NC(=O)N2CCC(N3C[C@H](C(=O)OC(C)(C)C)CC3=O)CC2)n1 1659578846 BCDBWVIJGHABIO-CYBMUJFWSA-N 416.482 1.478 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(Cl)c(OC)cc1Br)C(=O)OC 1662441463 VXXUJRLBVWRATH-SNVBAGLBSA-N 410.673 1.954 30 10 HDEE C#CCN1CCC(NS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 1666232982 LPLULPLRXZYMPK-LJQANCHMSA-N 419.547 1.662 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)n1 1669437002 PFMBWXYGWWXIHB-GOSISDBHSA-N 419.526 1.978 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2CCCO[C@H]2c2ccc(Cl)cc2)c(=O)nc1O 1675477943 LHQAFQRZARDJSX-CVEARBPZSA-N 417.853 1.693 30 10 HDEE C=CCOc1ccc(CNC(=O)NCC2(N3CCOCC3)CCN(C)CC2)cc1 1681032908 YZPLHCCYOZZCCN-UHFFFAOYSA-N 402.539 1.847 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1681986248 ZBXBWRAOBXUAAO-UHFFFAOYSA-N 420.554 1.656 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@H]3CC[C@@H](C(F)(F)F)O3)CC2)c1C#N 1685146294 WDKWZMXZLWKHIR-OCCSQVGLSA-N 400.405 1.542 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NC[C@H]2CCN2C2CCOCC2)CC1 1687706198 CEFTUGPUIALRSX-QGZVFWFLSA-N 401.486 1.782 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1689848975 DYIYDSBKJBFHFL-PKOBYXMFSA-N 422.533 1.880 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1689875241 NTDVQTNDRCJJKJ-MRXNPFEDSA-N 424.571 1.141 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1689925818 BJVZMPNAXBZJRT-LJQANCHMSA-N 408.506 1.890 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCC(=O)Nc1ccccc1 1690045526 MDYURLZOKAINLS-GOSISDBHSA-N 404.474 1.721 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@]2(N(C)C)CCSC2)CC1 1690124781 UJSGWYYZKKTJET-GHTZIAJQSA-N 418.611 1.365 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC[S@](=O)CC)CC1 1690133318 BQGDUFYRYIVLTP-GDLZYMKVSA-N 415.563 1.689 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCCN(S(C)(=O)=O)CC1 1690247045 YZGFCFWBRLQUNN-ZWKOTPCHSA-N 423.583 1.999 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC(=O)NC2CC2)CC1 1690364650 VDZCEDCXZDPMBK-AWEZNQCLSA-N 410.544 1.104 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1690464554 FGAMMYBYEQBMCO-CABCVRRESA-N 416.569 1.160 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@](C)(c2cnn(C)c2)C1 1690506511 POTASXWQYGXDMD-NRFANRHFSA-N 424.509 1.813 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C)n1C[C@]1(O)CCS(=O)(=O)C1 1690553688 CUVNMUMQCZEWAQ-LJQANCHMSA-N 406.508 1.337 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)[C@@H](CC)C1 1690671373 UREFHANYSURMQA-ZWKOTPCHSA-N 420.558 1.369 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](COC)C2)n1Cc1ccc(C#N)o1 1694357373 FKURSSXBJCCVMK-QGZVFWFLSA-N 416.482 1.561 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCO[C@@H]1CCOC1 1705485008 AXWDABAPRLABBS-VQIMIIECSA-N 422.493 1.574 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1705491806 IGCZAJYVPWVAKF-HZPDHXFCSA-N 419.526 1.924 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(=O)N(C)C)c1 1705554156 MIOCWGXCUCOEEY-UHFFFAOYSA-N 418.501 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccccc1C1OCCO1 1705579586 NPTUFKYDWAPOKY-UHFFFAOYSA-N 402.458 1.845 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@H](CC)C1 1705652412 YIRCCBNBTMASSX-HNNXBMFYSA-N 400.508 1.907 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CC(=O)NC(C)(C)C 1705698981 AZBYYPOFGKAIHX-MPGHIAIKSA-N 418.542 1.561 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1705791695 BXVNGQSJFFLCBK-BZUAXINKSA-N 421.567 1.497 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1705829882 FBRPGEADIGJBIM-KRWDZBQOSA-N 403.527 1.871 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2ccc(OC)cc2)C(=O)C1 1705890146 ZDSFCRLSHUWSJV-GOSISDBHSA-N 424.505 1.663 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1705890905 OVPIPEPRUCIDOP-KBPBESRZSA-N 408.503 1.473 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1710418025 VGYFNSVWSSJZTQ-YWZLYKJASA-N 416.482 1.578 30 10 HDEE COCC1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712266229 OAQAEUBESXHVHF-ZZEZOPTASA-N 414.510 1.935 30 10 HDEE C=CCC1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CCOCC1 1719854559 DWRAEIQHQUGLEB-WKULXVSPSA-N 403.523 1.509 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1cccs1 1722297261 YSESEVYSOQFLEC-KBPBESRZSA-N 421.548 1.130 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1722303353 YOWWQFVXKMQEKB-HNNXBMFYSA-N 415.519 1.310 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCC2)n1CCNS(=O)(=O)c1ccccc1 1722397364 JMMQMVVNQJBMJX-UHFFFAOYSA-N 411.531 1.987 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccccc1CN1CC[C@H](O)C1 1722402665 XUKLLMYDQDIMFC-QFIPXVFZSA-N 421.545 1.892 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@]1(N2CCOCC2)CCSC1 1722410034 OSMIHPHVBDMJAK-HXUWFJFHSA-N 413.551 1.403 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)CC 1722422391 RFDDOJIQDMGLSV-QGZVFWFLSA-N 420.510 1.996 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1C(C)(C)C 1722503107 VJZDLBJVMBFHSH-KURKYZTESA-N 405.543 1.898 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCOCC1)C1CC1 1722650510 CROZXSJQDXZUFM-INIZCTEOSA-N 423.583 1.446 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cccn(CC)c1=O 1722675013 VLVFEYJBFKDBMS-UHFFFAOYSA-N 414.510 1.383 30 10 HDEE CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1728129974 UWVHTCWWDLUPGU-SJLPKXTDSA-N 422.599 1.898 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CN2CCCC2=O)n1Cc1cnn(C)c1 1729396359 DHEHGYKJUQHBQE-UHFFFAOYSA-N 404.478 1.690 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCNC(=O)C(C)(C)C 1730844228 SDCYYBFIYGRHRJ-AUUYWEPGSA-N 410.494 1.606 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3cccnc3)n2CCCO[C@H]2CCOC2)C1 1731183999 XRJQIJCFTATICS-PXNSSMCTSA-N 400.458 1.901 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCCOC(F)F)cc1 1731184381 LXDYNXAPZHDMKL-UHFFFAOYSA-N 411.434 1.681 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOCc1ccccc1 1740534018 WFYRHIWFSTWGLG-HOTGVXAUSA-N 405.524 1.563 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1740556813 JOTQVMDNIXUPST-ZDUSSCGKSA-N 420.395 1.865 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740590196 GEIKTFHGLKNISP-INIZCTEOSA-N 409.556 1.446 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1740670506 QVSNGZYJSWEQQT-GOSISDBHSA-N 417.535 1.869 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@]1(O)CCOC1 1740675676 HJBJYSVLIXTRJA-OAQYLSRUSA-N 415.469 1.347 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOCc2ccccc2)CC1 1740688406 FSRYGZIGVIYBEQ-UHFFFAOYSA-N 422.533 1.486 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(C)CCCO2)CC1 1740693270 WCOJMNJTKYMYQO-YADHBBJMSA-N 417.554 1.643 30 10 HDEE C=CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1740870076 IPCJUXJLIQJDPW-OAHLLOKOSA-N 417.535 1.982 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cnn(C)c2)CC1 1740880792 NHINHAWTEBIEMK-UHFFFAOYSA-N 416.530 1.069 30 10 HDEE C=CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1cnnn1C 1740904884 BFXFBWWRVFXXLA-OKILXGFUSA-N 402.503 1.848 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1740958483 QIBHXFYTJMXJKV-FTRWYGJKSA-N 405.499 1.206 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCOC2(CCOCC2)C1 1740962919 SUIBXDBMLKSHAW-UHFFFAOYSA-N 403.527 1.699 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N(C)C 1741798515 HNPHDMFUENCMQD-NSHDSACASA-N 408.304 1.873 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCCC(=O)NC2CC2)n1 1742698928 AYGCPONKYYCZIO-FQEVSTJZSA-N 414.489 1.641 30 10 HDEE CC[C@H](C)c1nnc(N(C)C[C@H](C)C(=O)NC)n1CCN/C(O)=C1\N=CC=CC1=O 1743558117 XDZZBZZKEICXGR-QTTXMIHLSA-N 417.514 1.136 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCS(=O)(=O)c1ccccc1 1748685190 VNAMDSTUTTXYIO-MRXNPFEDSA-N 415.519 1.332 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1csc(CC)n1 1748948765 VODLFFFHNVXTEV-UHFFFAOYSA-N 402.524 1.667 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1 1749055394 IWVORAZWJTVFEK-STZQEDGTSA-N 417.554 1.643 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)CC1 1749103478 XIUISXWHSXIZJU-OAHLLOKOSA-N 414.348 1.849 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCN(C)C1 1750066244 HQDCMKJKCDHPRM-YCRPNKLZSA-N 412.494 1.379 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@H]1CC[C@H](CO)O1 1750644913 ZNZWTDYHFUCHSQ-ZWKOTPCHSA-N 411.510 1.535 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCCS1(=O)=O 1751095246 BJXIKIBLBDNFBL-RDJZCZTQSA-N 402.524 1.970 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1C[C@@H](C)CN1CCN(CC)CC1 1760204268 JONQMUVQBLGCIX-NRFANRHFSA-N 419.577 1.610 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(C)=O)C1 1760335525 NTSKLMBOYZSQEV-LMMKCTJWSA-N 411.510 1.821 30 10 HDEE C=CCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1760443600 JTPPSGIKPCXHQI-KRWDZBQOSA-N 403.458 1.914 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)NCC)CC1 1760449988 BBYQJQKZSJVBFB-KRWDZBQOSA-N 406.531 1.616 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC)[C@H](C)C1 1760560388 ULYRDUSRZLWJTB-HUUCEWRRSA-N 416.617 1.338 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2Cc2nnnn2CC2CC2)c1 1768775182 CKPAQJAEZOGKLC-AWEZNQCLSA-N 407.482 1.994 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H](C)CC#N 1769109180 DMXAIMOBZJQNHY-CYBMUJFWSA-N 417.539 1.780 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCc3ccccc3)n2CC(=O)NCC(F)F)CCO1 1770751245 DKEABBBRUBUKRF-OAHLLOKOSA-N 404.421 1.173 30 10 HDEE COC[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1770768500 KAGJJDSDNBVLGU-AKHDSKFASA-N 424.505 1.634 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1 1848550450 HAUUHOSBGCEKMG-LJQANCHMSA-N 419.485 1.937 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC(N4CCC(C#N)CC4)CC3)cc12 1849588421 QHQZEQXDQUQJTA-UHFFFAOYSA-N 402.524 1.665 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CC(Oc4cccnc4C#N)C3)CC2=O)cc1 1849704060 QOEBWEDCMCHCOX-OAHLLOKOSA-N 406.442 1.995 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2cc(NC(=O)CN3CCN(C(C)=O)CC3)ccc21 1850135437 SYALEVGJHCDWDR-UHFFFAOYSA-N 414.506 1.727 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccccc2OCC)c1COC)[C@@H]1CCN(C)C1=O 1850863554 STZLPKOCYXJZPJ-MRXNPFEDSA-N 413.478 1.671 30 10 HDEE O=C(CCn1cnc2ccccc2c1=O)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851716105 JPPCTZKRIARIEN-UHFFFAOYSA-N 416.381 1.657 30 10 HDEE N#C[C@@H]1CN(C(=O)CN(c2ccccn2)S(=O)(=O)c2ccc(Cl)cc2)CCO1 1852748799 MAXMYYBURNOUGU-OAHLLOKOSA-N 420.878 1.681 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)C2CCCC2)c(C)c1 1853472949 ZZZVWWIHHCKQCR-UHFFFAOYSA-N 423.535 1.961 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)c4ccsc4)C3=O)CC2)CC1 1853675301 BLHHTUICEKCGJZ-SFHVURJKSA-N 414.531 1.963 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(F)cc2)C(=O)C1 1853952576 CPAXZXVFVIODHB-UHFFFAOYSA-N 417.418 1.136 30 10 HDEE CCOc1ccc(N2C[C@H](C(=O)N3CCC[C@H](N(C)CCC#N)C3=O)CC2=O)cc1 1854242578 PWOVAMWUICZUMG-APWZRJJASA-N 412.490 1.801 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCC[C@@H](N(C)CCC#N)C1=O 1854301062 XIZLQFCKRDEBLI-GOSISDBHSA-N 408.458 1.823 30 10 HDEE C=CCCN(C)C[C@@H]1CCC(=O)N(C(=O)C[C@@H]2CSc3nc(C)cc(=O)n32)C1 1854660706 VZTCXMWTCCGMMV-JKSUJKDBSA-N 404.536 1.862 30 10 HDEE COc1ccccc1C(=O)N1C(=O)Cc2cc(S(=O)(=O)N(C)CCC#N)ccc21 1855960371 XQUOMUZKWXTDQC-UHFFFAOYSA-N 413.455 1.959 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)CC1 1856155982 VPRKNQZDRTYDJT-RBUKOAKNSA-N 412.490 1.864 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)CCN1CCC#N 1856197865 AFSLOWHZHKVCGM-FUHWJXTLSA-N 418.519 1.203 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)[C@H]2CCCN2S(C)(=O)=O)c2ccccc2N1CCCC#N 1856281113 CALBCWAIYYTOFJ-CRAIPNDOSA-N 418.519 1.873 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H](CN4CCCC4)C3)ccc21 1856957942 ONJDNVATPSFOOX-OAHLLOKOSA-N 416.503 1.122 30 10 HDEE Cc1cc(C)n(C[C@H](C)C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)n1 1857150711 LQWGKIGBROPAQL-LPHOPBHVSA-N 400.527 1.185 30 10 HDEE C=CCCC(=O)N1CC[C@@H](N2CCN(Cc3cc(OC)ccc3OC)CC2)C1=O 1857439359 KSSYXVYKIOQLNL-LJQANCHMSA-N 401.507 1.915 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)s1 1857508845 BJMLSIDUKMOAFV-GJZGRUSLSA-N 414.531 1.970 30 10 HDEE C=CCn1cc(OCC(=O)NCCc2ccccc2)c(=O)cc1CN(CC)CCO 1870519050 AOJGMWRBAXIDOY-UHFFFAOYSA-N 413.518 1.586 30 10 HDEE CCOc1c(/C=N/n2c(CNC(C)=O)nnc2SCCCO)cccc1OC 1874435163 QIYIHBDWACYOGP-RGVLZGJSSA-N 407.496 1.678 30 10 HDEE C[C@@H](C(=O)N1CC(COc2cccnc2C#N)C1)N(c1ccccc1)S(C)(=O)=O 1892153575 MCZUCXQUQXLPMF-HNNXBMFYSA-N 414.487 1.645 30 10 HDEE O=C(N[C@@H](CS(=O)(=O)CCC#CBr)C(=O)O)OCc1ccccc1 1892237039 HCEYQKAZRMLOQA-ZDUSSCGKSA-N 418.265 1.527 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 1984788374 LTSGATDUYOHRCQ-JTSKRJEESA-N 415.490 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2010401974 KBPJUIXIUJASFT-UHFFFAOYSA-N 418.303 1.971 30 10 HDEE N#Cc1cccc(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)c1 2118170038 ZYZXCDSUMDYFIE-RBUKOAKNSA-N 415.471 1.920 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(C(=O)N[C@H](CCS)C(=O)O)no1 2180221663 RZGSDHKSHRKINU-ZJUUUORDSA-N 400.457 1.645 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1nscc1C#CCN 2186634378 HLXYVRLZXALMOC-CQSZACIVSA-N 406.533 1.250 30 10 HDEE CC1(C)OB([C@]23C[C@H]2CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)C3)OC1(C)C 2194158489 MOJSFKZKIMRGDO-WWGRRREGSA-N 405.347 1.062 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)N2CCC[C@@H](C#N)C2)C1(C)C 2196367224 INRWODZBCFWLHS-RRFJBIMHSA-N 400.545 1.996 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2247847146 SDEFDTMMHQQKSC-UHFFFAOYSA-N 415.221 1.310 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[S@@](=O)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320314 GOSHQHXTSCWCPC-UOXLDJKESA-N 419.399 1.497 30 10 HDEE CCn1c(O)nnc1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496725 GOZUAWRABNHROQ-UHFFFAOYSA-N 400.291 1.165 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3(C2)CC3(F)F)OC1(C)C 2282497638 SOEGPSWBSDSIDY-UHFFFAOYSA-N 406.285 1.613 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H](C)CO1 2282501033 REYXWUQJNUTZNC-OLZOCXBDSA-N 401.359 1.986 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@H](CN)C2)OC1(C)C 2282505696 HPHFIPRYRHEXMP-JSGCOSHPSA-N 400.375 1.594 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC3(C2)CS(=N)(=O)C3)OC1(C)C 2282853032 XTPQZCJFBUGMOT-UHFFFAOYSA-N 418.371 1.098 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC2CCNCC2)c1B1OC(C)(C)C(C)(C)O1 2282877785 WXEGGLMTKIWQGC-UHFFFAOYSA-N 400.375 1.694 30 10 HDEE COC[C@]1(C)C[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284698068 WDTMYPJFTIVWOX-DYVFJYSZSA-N 401.359 1.892 30 10 HDEE C[C@]1(C(=O)O)CN(C(=O)[C@@](C)(NC(=O)C(F)(F)F)C(F)(F)F)CC1(F)F 2295481351 IYYHNLNXOFVAKS-RKDXNWHRSA-N 400.222 1.554 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@@H]3CC(=O)O)s2)OC1(C)C 2360944425 RVKYPSHYGHLIEA-GHMZBOCLSA-N 401.315 1.436 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC1(F)F 2361790181 KMSAAIHLQOGSSG-IUODEOHRSA-N 408.471 1.701 30 10 HDEE CO[C@H](C#C[C@@H](N)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C1CCCC1 2369569442 YEJVGKOUMHFWGD-BRWVUGGUSA-N 400.541 1.556 30 10 HDEE Cc1nc(SCC(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C#N)c(C)c1C 23078644 LVWKRURRVGDKDI-UHFFFAOYSA-N 404.517 1.934 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCN(c3cccc(F)c3C#N)CC2)cc1 30359153 WXFGOEVILJKWFG-UHFFFAOYSA-N 402.451 1.568 30 10 HDEE C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1CO 95912420 PFPNLISKAPWUFU-MVVUPFSZSA-N 406.475 1.402 30 10 HDEE biogenic,in-vitro O=C1C(NCCCN2CCOCC2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 101008057 UCLDYEOHEBDBEB-UHFFFAOYSA-N 417.469 1.991 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCC(=O)O)C(=O)[C@]12C 103029238 CCXDRVRDUNLDLW-ZGQNHIEXSA-N 415.398 1.633 30 10 HDEE CCOC(=O)N1CCC(N2CC(=O)C(c3nc4cc(OC)ccc4n3C)=C2N)CC1 170177723 ZKKMMQZCTHMESN-UHFFFAOYSA-N 413.478 1.715 30 10 HDEE CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CCN1S(=O)(=O)N1CCO[C@H](C#N)C1 409503834 ZIBQSKQLHMBDJJ-DBVUQKKJSA-N 421.567 1.392 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(S(=O)(=O)N(CC)C[C@H](C)C#N)C1 410161245 JAJZPZKNEZPQEN-ZIAGYGMSSA-N 412.478 1.836 30 10 HDEE COc1cc(CNC(=O)CCNS(=O)(=O)c2ccc(C(C)=O)cc2)ccc1C#N 460615168 QQJZLYZIJHDWEB-UHFFFAOYSA-N 415.471 1.754 30 10 HDEE CS(=O)(=O)Cc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460778680 RPMNXRHUPSHKRB-UHFFFAOYSA-N 417.472 1.484 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCc1cnc(N2CCOCC2)c(F)c1 462576977 WBRGZIYCMOUFRB-FQEVSTJZSA-N 406.458 1.935 30 10 HDEE COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 468212152 NCCBXDIQBPBNPX-JKSUJKDBSA-N 419.503 1.371 30 10 HDEE CCC1(CC)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[S@]1=O 470599835 KPTZKQJCXLJEAL-AREMUKBSSA-N 411.549 1.642 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@@]3(CO)C[C@@H](C)CC(C)(C)C3)CC2)o1 471146532 BUWQLNKAAGZJCP-BTYIYWSLSA-N 403.527 1.670 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2cc(C#N)ccc2Cl)CC1 475773953 QPCPRCUWWZKVTJ-CQSZACIVSA-N 424.954 1.965 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O 476805173 JZCGYZCADDFDCL-INIZCTEOSA-N 414.462 1.180 30 10 HDEE CCOc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccccc2)c(=O)n1C 480183377 GUZAHVOAZDBXLY-UHFFFAOYSA-N 405.479 1.987 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](CO)c1ccc(Cl)cc1 483164964 GBNWWUNQXUOLCG-SJCJKPOMSA-N 407.879 1.728 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1S(=O)(=O)NCC#N 484913697 VYYFTTPZQHXJSI-GOSISDBHSA-N 415.471 1.716 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)c2ccc(C3(C#N)CC3)cc2)C1 485918118 WWAISVVAKMPHJW-GOSISDBHSA-N 405.520 1.754 30 10 HDEE N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@]1(O)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@@H]2[C@@H]53)[C@@H]41 487372543 UKTSOABWKMBBCK-WCKDDSQTSA-N 401.444 1.254 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCc4nc[nH]c4C3)CC2)cc1 492691107 JYVWHLFKQWZOQQ-INIZCTEOSA-N 413.503 1.356 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1 497769456 XBLFNVGUGXEUHF-UHFFFAOYSA-N 420.516 1.258 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 503618633 MCZJDJMRZIROMT-XJKSGUPXSA-N 408.418 1.709 30 10 HDEE CN1CCN(C(=O)C2CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC2)CC1 505775303 BDVQLJQQFFZBBB-OAQYLSRUSA-N 406.527 1.261 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[S@@](=O)C(CC)(CC)C1 509000736 UUCWWZLJNJBOME-YMXBGEKHSA-N 403.574 1.202 30 10 HDEE COc1c(C)cc(C)cc1S(=O)(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 509176301 ZEUJJTIOJDRLBT-OAHLLOKOSA-N 401.492 1.873 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1C#N 516836385 MFJRDJOVPXKBCW-UHFFFAOYSA-N 406.489 1.847 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](c4ccccc4)OC[C@@H]3C)CC2)o1 533262899 DHZMWYRCAKSSJY-JXFKEZNVSA-N 409.490 1.965 30 10 HDEE C=CCNC(=O)CNC(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 537492749 WENYMGQVDIUOJY-NSHDSACASA-N 403.298 1.277 30 10 HDEE CCOC(=O)c1cccc(OC[C@@H](O)CN2CCN(c3cccc(C#N)n3)CC2)c1 545506174 OKOJFKYYSPHKJI-IBGZPJMESA-N 410.474 1.692 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOCC1CC1 549641718 WWKFRTJPLCJRQM-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1nc([C@@H](C)OC)no1 558991610 NMIKERIQPGRUPN-VXGBXAGGSA-N 413.504 1.191 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccsc2)CC1 559007253 DQTYHBKPSREGRU-MRXNPFEDSA-N 403.508 1.966 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)nn1-c1cccc(C#N)c1 579215631 UVLWZFGAHARYRQ-MRXNPFEDSA-N 416.507 1.053 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@@H](CC(=O)O)c2cnn(-c3ccccc3)c2)cc1C#N 579546173 GOMZRWLLSHQMLU-SFHVURJKSA-N 411.443 1.942 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)CC3(C#N)CCC3)CC2)cc1OC 579887033 LOJQTHYJZKYANE-UHFFFAOYSA-N 407.492 1.485 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NC2CCC(Oc3nccnc3C#N)CC2)cc1 585355259 BQKBERLNNFHCEO-UHFFFAOYSA-N 416.459 1.803 30 10 HDEE N#CC(C(=O)Nc1ccccc1)=c1sc(=Cc2ccco2)c(=O)n1C[C@@H]1CCCO1 603797275 CKIHGYRFSMCGAG-KRWDZBQOSA-N 421.478 1.824 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2ccsc2)N(CC)CC)CC1 604171239 GFGFFANRLKTEFX-SFHVURJKSA-N 407.584 1.760 30 10 HDEE N#Cc1ccc(CNC(=O)NCCCCN2CCN(c3ncccn3)CC2)c(F)c1 609240379 DXGAFMYSSZJGBV-UHFFFAOYSA-N 411.485 1.889 30 10 HDEE CCCC[C@@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609904665 NYAZLWZMUPTSHV-KRWDZBQOSA-N 408.524 1.779 30 10 HDEE C[C@H](C#N)CN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CC1 611086976 XCAVCAMIGZCANV-CQSZACIVSA-N 407.492 1.667 30 10 HDEE COC(=O)[C@]1(NCC(=O)N[C@@](C)(C#N)C(C)C)CCCN(Cc2ccccc2)C1 611266048 VBJKIXNDTRKBOB-VXKWHMMOSA-N 400.523 1.838 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCN(CCC(=O)N(C)C)CC1 675518858 DJGLHLYNOUMQBD-UHFFFAOYSA-N 411.506 1.673 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(Br)cn1 732611751 NILVWJUPTYKWST-SNVBAGLBSA-N 410.249 1.988 30 10 HDEE CC[C@H](C#N)Oc1cc(CNC(=O)Cn2cnc3c(cnn3C)c2=O)ccc1OC 733228669 NMLCEUGVMTYDKQ-CQSZACIVSA-N 410.434 1.136 30 10 HDEE CC(C)(C)CS(=O)(=O)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 733856427 GBPVKZXKNGBFAR-CQSZACIVSA-N 406.464 1.255 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc2c(c1)OCO2 735295324 SRTRIZHRJDJEKK-UHFFFAOYSA-N 423.450 1.250 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)NCc1cccc(C#N)c1 746555009 OZIBRFGASCOXIG-ZDUSSCGKSA-N 419.434 1.224 30 10 HDEE C=CCNC(=O)CN1CCN(C(=S)NCc2ccc(Br)cc2)CC1 747646747 NCNVADPUMYVJKD-UHFFFAOYSA-N 411.369 1.743 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)OC1CCN(c2ccncn2)CC1 752582350 IVXVYDIMMVWEGK-AWEZNQCLSA-N 415.475 1.227 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@H]1CCO[C@@H]1c1ccnn1-c1ccccc1C 753295440 IGITVQMMPOSQGZ-LPHOPBHVSA-N 403.504 1.975 30 10 HDEE C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)OCC(=O)NCC#N 756750079 LQPCMNWAAQSXGJ-JTQLQIEISA-N 403.254 1.042 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C2)cn1 758534844 KFPZXBVXKDEQET-YQQAZPJKSA-N 417.514 1.447 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCc1ccc(N2CCCS2(=O)=O)cc1 763548143 KOPHOGVCGYLSBV-UHFFFAOYSA-N 406.489 1.358 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccccc2C#N)[C@H](C)O)cc1C 777291465 SMAXQJSECAJHDF-HNAYVOBHSA-N 402.472 1.946 30 10 HDEE C[C@H](CC(=O)N(C)Cc1cnc(N(C)C)nc1)/N=C1/NS(=O)(=O)c2ccccc21 780764555 NUEQPWJWTLWFES-CYBMUJFWSA-N 416.507 1.018 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCCC(=O)N2CCN(c3ccccc3)CC2)cc1 780940272 PAOLXJOWBIDNSV-QFIPXVFZSA-N 406.486 1.837 30 10 HDEE COCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@H]1CCOC1 785699369 SYWYDSGWBYSYCM-XMMQZVGTSA-N 424.523 1.769 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 796965983 FFPPBSJULJVJPV-KBPBESRZSA-N 412.487 1.498 30 10 HDEE CC(C)Cc1nnc(NC(=O)CN(C)C(=O)C#Cc2ccc3c(c2)OCO3)s1 798269748 CKSKQXAXPNEHEX-UHFFFAOYSA-N 400.460 1.914 30 10 HDEE C=CCn1c(=S)sc2c(=O)n(CC(=O)NC3CCN(C4CC4)CC3)cnc21 913600678 BGJDVNOGHBYBJR-UHFFFAOYSA-N 405.549 1.918 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c1 918956140 ANSRWNAQCMNKMF-ZWKOTPCHSA-N 422.503 1.478 30 10 HDEE Cc1occc(=O)c1OCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1125125593 HIINFGORMGSYOQ-FXBPSFAMSA-N 419.459 1.779 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3nncn3CC2)cc1 1125137231 QKBPEJSMLNMVNL-KMEDIVRHSA-N 416.507 1.682 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)cc1C#N 1134074043 CGDQGNUTUNBICD-KKMIYCERSA-N 419.441 1.704 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CSC[C@@H]2C(=O)N[C@@H](C)CC)c1 1135839248 XBZHFMLAHGFOAO-WMLDXEAASA-N 408.545 1.913 30 10 HDEE C=CC[C@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)OCC 1138146698 XDPWYDRLFWTMMY-ZDUSSCGKSA-N 424.397 1.488 30 10 HDEE CCn1c(S)nc2cc(C(=O)N3CCC(C#N)(C(=O)OC)CC3)ccc2c1=O 1140627288 RLVNDKOIYWWUKQ-UHFFFAOYSA-N 400.460 1.624 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)Cn2cc(C#N)c(O)nc2=O)c2ccccc21 1144582556 KNZPNIFBWQSREZ-HOTGVXAUSA-N 410.430 1.507 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1148871458 MTHQALZVJUUNEX-VQHPVUNQSA-N 410.536 1.528 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccc(C#N)cc1F 1162121105 GXLBWCXSYSYVHV-UHFFFAOYSA-N 406.395 1.656 30 10 HDEE COC(=O)[C@@H](CC(C)(C)C)NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1163077315 FIWVMMXGSRBNKO-HZPDHXFCSA-N 414.462 1.857 30 10 HDEE C[C@H]1CN([C@H](C)CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@H](C)O1 1163726050 IQRBBPOHDYNOHF-FPCVCCKLSA-N 422.551 1.118 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C)[C@@](C)(O)c1ccccc1 1164485806 NAELLQCTURGUDW-AUSJPIAWSA-N 401.488 1.637 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC[C@@H](n4ccnn4)CC3)C2=O)cc1 1168456669 SMMSHGJCHCPJJC-AEFFLSMTSA-N 421.461 1.609 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)[C@@H]1c1cnn(C)c1 1168652609 FOTRUHCQZRQEEE-DYVFJYSZSA-N 401.492 1.568 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](CC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1175170141 STRCIPOPVUIVDT-JLTOFOAXSA-N 410.467 1.200 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1179551096 CBONULZFSQHTHP-HOCLYGCPSA-N 407.492 1.069 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](O)[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)C1 1196689812 AJHZXYQOMRLORV-ZIAGYGMSSA-N 415.899 1.860 30 10 HDEE C#CCN(C(=O)NCc1ccccc1OCCN1CCOCC1)C1CCN(C)CC1 1221503820 GMBIGPBWELYKHJ-UHFFFAOYSA-N 414.550 1.637 30 10 HDEE N#Cc1cn(CCNC(=O)NCc2csc(CCc3ccccc3)n2)c(=O)nc1O 1223324205 CQLOBYVLHPRLQI-UHFFFAOYSA-N 424.486 1.562 30 10 HDEE N#Cc1cn(C2CN(C(=O)NC[C@H]3CCN(c4ccccc4F)C3)C2)c(=O)nc1O 1229236474 ATCWLIOUMBVXIW-CYBMUJFWSA-N 412.425 1.052 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1286382073 QGLAUPUVYLGBBI-INIZCTEOSA-N 407.540 1.399 30 10 HDEE C#CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1286507800 CFRDAGAIQSDZBF-YJBOKZPZSA-N 411.487 1.886 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2nccnc2C)CC1 1286618768 HNKWYTZDIGVVJB-UHFFFAOYSA-N 404.906 1.594 30 10 HDEE C=CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCNC(=O)C1 1286692241 BYVVIWAQFNIOPE-UHFFFAOYSA-N 418.523 1.098 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ncn(C)n1 1286756351 LAODFBAYMLDXRD-UHFFFAOYSA-N 417.477 1.547 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1286790955 ZWSQAOHEXTYWSQ-UHFFFAOYSA-N 422.533 1.424 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286821371 JDXUGZYDYXKPOG-UHFFFAOYSA-N 423.499 1.388 30 10 HDEE C#CCN1CCC(C(=O)N(CCN(C)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CC1 1288171938 MURYARFZHZFYRV-TXVWBRJLSA-N 401.551 1.450 30 10 HDEE CCN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C#N)CC1)S(C)(=O)=O 1295810530 JQUJWCXMSOWRTI-QGZVFWFLSA-N 424.571 1.584 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(C(N)=O)CCOCC1 1300473156 PLPHOHSAVHUUHY-UHFFFAOYSA-N 408.462 1.080 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1OCC 1300603284 YIMVADLEPOOBHJ-OAHLLOKOSA-N 405.524 1.795 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1csc(COC)n1 1300664549 QTBFMUNSTJUJOZ-UHFFFAOYSA-N 401.496 1.416 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1300765777 KSPURDNBUAVCTJ-MRXNPFEDSA-N 422.551 1.998 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1300984377 AZYAGMZQFZIOGB-OPAMFIHVSA-N 424.505 1.870 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(OCC(N)=O)c2)CC1 1301058748 FJIFBNTWKACQKQ-UHFFFAOYSA-N 412.494 1.485 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 1301069795 FTYRMTXZGROESF-RXVVDRJESA-N 405.543 1.807 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)NC2CC2)c1)C(=O)OCC 1303111762 MZDKVQOFLHHFRZ-OAHLLOKOSA-N 410.492 1.764 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1305205473 JCXSNBRMKRKKJR-CRAIPNDOSA-N 424.505 1.869 30 10 HDEE CCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCN1CCC(O)CC1 1306197713 CVNVXGKAAGFCAP-UHFFFAOYSA-N 424.553 1.281 30 10 HDEE C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099346 FYJASEAHZIHOFN-UVFQYZLESA-N 400.504 1.085 30 10 HDEE CCOC1CC(O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCC(=O)NC)C1 1314259599 HYAFICVBSMNJOM-UHFFFAOYSA-N 412.494 1.319 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCNC(=O)C(C)C 1316281295 JTTBDWYTXHBQPU-ROUUACIJSA-N 418.542 1.904 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1353654468 BKQLRVZLDTXULG-GFCCVEGCSA-N 405.303 1.865 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1358931673 JBTKBHIVWPYJLJ-KRWDZBQOSA-N 407.478 1.150 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCSCC1 1358943725 SGZYLIQAKHPYFM-UHFFFAOYSA-N 409.523 1.039 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1CC(=O)NCCc1ccccc1 1358977678 SJLRJMVRCCGJHU-FQEVSTJZSA-N 405.502 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OC 1358984142 KLHLEBSKKDMQAP-UHFFFAOYSA-N 415.457 1.840 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1359297064 DEBOAKXNVADTJC-AWEZNQCLSA-N 421.498 1.400 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359300160 VNBPVEZHSZIKLG-CVEARBPZSA-N 420.514 1.537 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)cc1 1359307969 ZGJDDHWUZLFDGX-CRAIPNDOSA-N 424.505 1.509 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)CC1 1359426840 WYFRFHMAXGKCRC-FQEVSTJZSA-N 424.505 1.727 30 10 HDEE CC(C)(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1COCCO1 1359514562 OKLDORZWFBMNGN-QGZVFWFLSA-N 411.510 1.584 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 1437445469 UTOWLQNGTDQTHT-UHFFFAOYSA-N 406.504 1.816 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1nc(CN(C)C)cs1 1455879958 NLDOJYNZWAHPNL-GFCCVEGCSA-N 407.521 1.060 30 10 HDEE C#CCN1CCN(C(=O)CN2CCCC[C@H]2COC(=O)N2CCC[C@H](C)C2)CC1 1460070682 MEWHEALFONVMSV-PMACEKPBSA-N 404.555 1.487 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)C1 1463945067 CZPNPIAFWOKZTA-INIZCTEOSA-N 404.488 1.364 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1464932345 NQKPFRSQOFUMGU-IBGZPJMESA-N 416.474 1.753 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)C)C(=O)[C@@H]2C)s1 1467324091 PIHIKUPYOWDUTC-AWEZNQCLSA-N 413.565 1.470 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)CC1 1467814219 HUGFFKZEUCXRAB-QHCPKHFHSA-N 413.518 1.295 30 10 HDEE Cc1c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cccc1-n1cnnc1O 1468679385 VSHYZLZDYSPTLT-UHFFFAOYSA-N 415.406 1.970 30 10 HDEE CS(=O)(=O)NCc1ccccc1NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1471341858 LPRZKRLJNDGKKG-UHFFFAOYSA-N 421.500 1.161 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1471536502 XQFOKDFUSQDBAH-ZDUSSCGKSA-N 412.416 1.803 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)C1 1471832294 BXIPKPZQIQECNI-XOBRGWDASA-N 420.872 1.460 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3c[nH]nc3I)C2)nc1 1471984534 ZAWLXZXUTQSXDC-LLVKDONJSA-N 422.230 1.998 30 10 HDEE Cn1c(=O)[nH]c(NC[C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)c(C#N)c1=O 1472867104 GTKJJMNKXGUYAU-OAHLLOKOSA-N 411.462 1.719 30 10 HDEE Cc1nn(C)c(N2CCN(CCN3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C#N 1473392626 IBLKUVBKZSLZBV-UHFFFAOYSA-N 417.558 1.275 30 10 HDEE C#CCCCCC(=O)N1CCC(OC2CN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1490472449 SGFCGLNTRMQOHD-JRHPMUGDSA-N 400.519 1.822 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3ccc(C#N)cc3)n1CC(=O)NC(C)C)C2 1492762710 BRQZENFAEWSFFC-UHFFFAOYSA-N 405.466 1.262 30 10 HDEE CCN(C)C(=O)Cn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1501416441 LQSOADWZQKJPID-UHFFFAOYSA-N 409.494 1.949 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ccc(C(N)=O)nc2)CCO1 1505321935 GCZGHNGLQGAIRZ-CQSZACIVSA-N 407.409 1.355 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC1 1505325128 RDAZGKIIGYFHKR-AWEZNQCLSA-N 417.482 1.940 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1507554289 ONRUMFNINUZFRH-GOSISDBHSA-N 414.554 1.962 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(SC)CC1)[C@H]1CCS(=O)(=O)C1 1507631524 FEJILSWQSZJCJS-GJZGRUSLSA-N 410.565 1.304 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OCC2CC2)nc1 1507667052 JXTIMMCERVHSSM-LJQANCHMSA-N 418.501 1.924 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@](C)(O)C1CC1 1507687001 IRWYWOVMQNCECE-HXUWFJFHSA-N 416.551 1.859 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCOCCCO)CC1 1507720793 IWWBNCRTDILJPG-UHFFFAOYSA-N 404.902 1.148 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 1507725285 SEXYBXIGFRDSEU-FQEVSTJZSA-N 424.597 1.302 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1507844082 BSSXJLIURGONQJ-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3C)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1507885658 JNNRRPGFNVFERE-OAQYLSRUSA-N 416.547 1.883 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)C)C1 1508059199 QOSSIUNNBUZWOT-HZPDHXFCSA-N 409.556 1.355 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1508131201 YVKWNPULWWNMNQ-KZNAEPCWSA-N 419.526 1.406 30 10 HDEE C#CCN(CC#N)C(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1530063554 TVCVPDKFPLUSSQ-LBPRGKRZSA-N 408.409 1.997 30 10 HDEE C=CCOCCCNC(=O)c1cc(I)ccc1-n1cnnn1 1532369236 PITAEUVFPIJBLX-UHFFFAOYSA-N 413.219 1.589 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCOC2)n1CCc1ccc(S(C)(=O)=O)cc1 1539012913 KUMPKWXIHDIZDR-NVXWUHKLSA-N 402.520 1.886 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccncc2)n1CCc1ccc(S(N)(=O)=O)cc1 1539022976 SOOCPNSLUVCNQA-INIZCTEOSA-N 424.530 1.612 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1539141138 YRFUOWDHPYCXRA-UHFFFAOYSA-N 412.494 1.770 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)COC(=O)N2 1539595106 AQWOFRARUZQLQP-GFCCVEGCSA-N 412.288 1.769 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C(N)=O)c(Cl)n3)c2C#N)C1 1540918146 KPSIBBNQSFVIKG-UHFFFAOYSA-N 403.851 1.924 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3cncn3C2)c1 1541080789 OSPIFCAQLFRAPV-HOEZRSETSA-N 401.492 1.897 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@@H](N3CCNC3=O)C2)CC1 1542615135 ICDZLNLUIGHUJN-QGZVFWFLSA-N 404.511 1.653 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1544116211 IBKUHQPTIYZJKJ-ZJYNUGOYSA-N 422.493 1.888 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(C)CN(C3CC3)C2=O)CCOC1 1547862037 WNCPNZOGHVWQLA-IPHXSNPTSA-N 416.526 1.537 30 10 HDEE COC[C@H](C)Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1 1555239874 AAMURKGGGUJGNA-ZIAGYGMSSA-N 404.496 1.281 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)C1 1555771553 NSMIUGOGVNCBPI-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC(C)(C)[C@@]2(O)CCOC2)cc1 1562197746 SXGFQWXANSNQGJ-LJQANCHMSA-N 411.524 1.792 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@]12NC(=O)N(C)C2=O 1566209834 OZFHLJDSIUOOFT-CKNLXJGOSA-N 406.483 1.130 30 10 HDEE COC(=O)CCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C 1566978720 OCJNUEMUFWQDAT-QGZVFWFLSA-N 421.538 1.733 30 10 HDEE CC[C@@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)NC(=O)OC(C)(C)C 1569357343 BHWORICDNMEVSW-LBPRGKRZSA-N 410.496 1.145 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)CCOC(=O)CNC(=O)C(C)(C)C)c1OC 1584308809 XIXPMZHFQGNVPW-AWEZNQCLSA-N 405.451 1.480 30 10 HDEE C=CCN(C(=O)Cn1nc2n(c1=O)CCCC2)[C@@H](Cc1ccccc1)C(=O)OCC 1585016683 ZMQJPFDTZFHZBV-SFHVURJKSA-N 412.490 1.570 30 10 HDEE COC(=O)[C@H](C)Sc1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1585132512 QBTFQANSOVTKDR-LXIYXOSZSA-N 408.501 1.351 30 10 HDEE N#CCN1CCN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)CC1 1586494067 SNFXJESXDZZAIT-UHFFFAOYSA-N 414.325 1.671 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CC2)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1587657908 XDFKFAQGMZTTOE-SZMVWBNQSA-N 405.568 1.893 30 10 HDEE COc1ccc(NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C#N 1587743800 AZOCBUNXWASGFQ-UHFFFAOYSA-N 405.432 1.501 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(OC)nc1OC 1588024798 LYIWVGQOZNGXTR-RDJZCZTQSA-N 401.467 1.532 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CC2(O)CCOCC2)CC1 1588848462 GTIPYRMMMVVAPI-UHFFFAOYSA-N 413.497 1.305 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1593728688 AYGZGPKJOYBYQE-UHFFFAOYSA-N 420.539 1.405 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C(=O)NC)C1 1594819707 JGFVUDNNYUGCNC-GOSISDBHSA-N 417.485 1.552 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1595507188 ZAVGKOLKZVPRAT-QGZVFWFLSA-N 422.493 1.689 30 10 HDEE Cc1ccc(C(=O)N[C@H](CO)c2cc(F)ccc2F)cc1S(=O)(=O)NCC#N 1607443633 HGSIKAYONUSHQE-MRXNPFEDSA-N 409.414 1.539 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCCOc1ccc(F)cc1 1609506885 KTJHGUUCLUKZJG-QGZVFWFLSA-N 416.457 1.753 30 10 HDEE COc1ccc(CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(OC)c1OC 1611158602 AGEAUZQCQRQYGN-LIRRHRJNSA-N 408.476 1.042 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCSC(C)(C)C2)n1Cc1ccc(C#N)o1 1611717838 XGHBVOWPGHCNCF-GFCCVEGCSA-N 424.552 1.733 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCC(=O)N1 1611740690 KMSKGNMRPOUMLX-FRFSOERESA-N 414.441 1.565 30 10 HDEE Cc1nnc(N2CCc3c(ccnc3N(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612576131 SXXSERMEGGBMMF-CZIZESTLSA-N 422.493 1.137 30 10 HDEE CCN1CCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CCOC 1615803296 IADOEOCMGNBARU-SJORKVTESA-N 424.571 1.031 30 10 HDEE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1617688725 MXENIHVMMITSKI-XJKSGUPXSA-N 402.882 1.938 30 10 HDEE Cn1cc(C(=O)NCc2ccc(C(=O)NO)cc2)c(I)n1 1618008618 YXRATGQSLHDJMZ-UHFFFAOYSA-N 400.176 1.074 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)C2(n3cnnn3)CCOCC2)CC1 1618706697 SSXOGUOKFHUKQM-QGZVFWFLSA-N 415.885 1.241 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CC(F)(F)CO1 1619909931 OYXAQRNCQGLPMG-ZDUSSCGKSA-N 400.430 1.207 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN(C)CCc2nccc(C(F)(F)F)n2)CC1 1620651242 CFHVAPNDDMJHNX-OAHLLOKOSA-N 412.460 1.662 30 10 HDEE C[C@@H]1O[C@H](C)[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1C 1624230005 ADDHQFFUWNHEKY-NXEZDXNNSA-N 405.520 1.887 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)cc1 1624399219 QZHPCGLCYHLVIZ-KRWDZBQOSA-N 424.519 1.643 30 10 HDEE CN(C)CCN1CCC(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1627142774 LJNHDDNBJKQOKI-GOSISDBHSA-N 409.575 1.963 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 1627389760 KTOBUZHITIPFBN-KRWDZBQOSA-N 402.495 1.833 30 10 HDEE N#C[C@H]1CN(C(=O)CNC(=O)Cn2ccc3ccc(Br)cc32)CCO1 1628104806 FEKSXEXRWJKNQQ-AWEZNQCLSA-N 405.252 1.271 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccnc(OCC3CC3)c2)cc1 1628202059 QTHZEPGBCZZGMW-UHFFFAOYSA-N 400.460 1.337 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 1628807276 UKUMKRBMFKELLM-LJQANCHMSA-N 405.520 1.546 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc(-n3[nH]c(O)nc3=O)cc2)CC1 1628895271 REPZZYZFBQQVJT-SFHVURJKSA-N 422.420 1.428 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC[S@](C)=O)CC1 1629670244 UJGNWGUYAGCXJH-JWIGPWBQSA-N 401.573 1.759 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCCS(=O)(=O)c1cccc(Br)c1 1632083984 XBCZIWAPBBATOD-AWEZNQCLSA-N 402.310 1.894 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cnn3c2S(=O)(=O)N(C)CC3)c1 1633771890 XTMONJYVSQCMPP-CQSZACIVSA-N 403.464 1.128 30 10 HDEE COCCO[C@H]1COCC[C@H]1NC(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1634389933 UUSXZQDXBIGDTQ-RTWAWAEBSA-N 416.522 1.642 30 10 HDEE C#CCN(C(=O)NCc1ccc(N2CCCS2(=O)=O)c(F)c1)C1CCN(C)CC1 1634524466 FLERWJQANBZNIN-UHFFFAOYSA-N 422.526 1.605 30 10 HDEE COc1cccc(OC(F)(F)F)c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1636512407 FFZWGICIYLBHHO-ZUZCIYMTSA-N 404.366 1.604 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1640924429 LTKALOSIYVGAFE-SJLPKXTDSA-N 418.465 1.134 30 10 HDEE C#CCC1(O)CCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)CC1 1648148555 DUPCQYMMGSCIOE-INIZCTEOSA-N 407.536 1.551 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)c3cc(C)n(-c4cccc(C#N)c4)n3)CC2)n1 1652071424 XICUNKOHRIVMEP-UHFFFAOYSA-N 403.446 1.819 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC3(CCOCC3)[C@@H]2c2ccco2)c1 1654710209 ZTPJHKGFGGKEQY-IBGZPJMESA-N 415.471 1.810 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(C(=O)OC)oc2Br)cn1 1664349037 LOCNIFRDOBVOAX-UHFFFAOYSA-N 402.226 1.137 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1ccc(N2CCOC2=O)cc1)C(=O)OCC 1665498215 YPENMZZORQHYAW-AWEZNQCLSA-N 402.856 1.996 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C2CN(C(=O)OC(C)(C)C)C2)c1 1666542078 JVSBCAXBRIJEBW-UHFFFAOYSA-N 407.492 1.487 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1Cl 1667041025 GCLDSGBWVGJDCZ-UHFFFAOYSA-N 417.915 1.594 30 10 HDEE C=C(C)CONC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1667520631 GJGDOTDVGHBCTH-UHFFFAOYSA-N 410.478 1.997 30 10 HDEE C#C[C@H](NC(=O)NCc1ccccc1OCCN1CCOCC1)C1CCOCC1 1667563604 CMGGHRKFOVRRHR-FQEVSTJZSA-N 401.507 1.625 30 10 HDEE N#Cc1cccc(CN2CCC(NS(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)c1 1670068333 DYRZCYQNVVYZAU-UHFFFAOYSA-N 423.502 1.477 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)c1ccccc1 1682352554 PEEXYRZURGLDJD-SFHVURJKSA-N 423.498 1.953 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccnc(-c4ccccn4)n3)CC2)cn1 1684880715 YJSTUHKZKFEQQR-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1 1685670400 ZRFKLVCGVRYCFW-WBTXTPOCSA-N 418.515 1.730 30 10 HDEE C#C[C@H](NC(=O)NC[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Br)cc1 1685688580 PQUFANUWFVKFCG-DOMZBBRYSA-N 414.325 1.704 30 10 HDEE C#CCN1CCC(NC(=O)N[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1686304296 SMSBZGTVPRQWIR-QGZVFWFLSA-N 419.323 1.951 30 10 HDEE C[C@@H]1CN(C(=O)NCC#CCN(C)C)CC2(CCN(C(=O)OC(C)(C)C)CC2)O1 1687890257 HTXMKQWGOUONGR-QGZVFWFLSA-N 408.543 1.751 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](CNC(C)=O)C1 1689943688 ZMXCAJAEYFGFLS-FHWLQOOXSA-N 403.527 1.768 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CCCS2)CC1 1690110669 VUUJGVVRWXAYHE-KRWDZBQOSA-N 404.584 1.847 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2cccs2)N(C)C)CC1 1690137965 NLRAPJUPCBNURH-QGZVFWFLSA-N 400.552 1.917 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)O)CC1 1690140218 QONZIHOKKOMRNF-UHFFFAOYSA-N 406.490 1.553 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)C(C)C)CC1 1690145967 BYCKSBMSMDJIJE-LJQANCHMSA-N 416.570 1.478 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690288009 CVOWKMKMFOWYAQ-GDBMZVCRSA-N 406.512 1.068 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCCS(C)(=O)=O)CC1 1690366163 RXPLNTIANJIZEI-LJQANCHMSA-N 412.556 1.910 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc(C)s1 1690670450 BTZIBXATYXRWEA-AWEZNQCLSA-N 423.564 1.489 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)C1 1692433411 CBGIARFGEUIJEY-PXNSSMCTSA-N 416.505 1.477 30 10 HDEE Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCOCCS(C)(=O)=O)o1 1693057239 VSGLIYNXYORJTN-UHFFFAOYSA-N 407.496 1.648 30 10 HDEE CCOCc1nnc(N(C)C[C@@H](C)C#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1696243282 FZJISBZDQUQXHP-HNNXBMFYSA-N 417.514 1.665 30 10 HDEE CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1696596552 BYQGLOZHEGRMRM-GOEBONIOSA-N 410.507 1.828 30 10 HDEE CN(CCN1CCOC(C)(C)C1)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1 1696822966 ZUJQVJCLSBMHRC-INIZCTEOSA-N 414.510 1.842 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1705482407 YLHBZPCHVOBZKM-AWEZNQCLSA-N 421.523 1.312 30 10 HDEE C#CCCCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705515788 MMAPAUWAILCJQL-DLBZAZTESA-N 414.510 1.796 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccsc1 1705534165 AUWHNKGZFLRYSD-INIZCTEOSA-N 423.564 1.722 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1([S@](C)=O)CCC1 1705544876 HBZKZVZMMJPWSR-MHZLTWQESA-N 420.560 1.719 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1705586622 PRGDUOXYCJEIMU-HXOBKFHXSA-N 403.486 1.963 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccn2C)nnc1N1CCO[C@@H](C(=O)NC)C1 1705702086 FEFUQZPDUYUJAO-JQHSSLGASA-N 414.510 1.216 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1705736642 YMCABHSMHOPJHA-JKSUJKDBSA-N 404.515 1.317 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccccn3)n2CC(=O)NCc2ccco2)C1 1705927165 RWPRVJUNFRVDHX-IBGZPJMESA-N 422.489 1.955 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCCC1 1705932533 FYMVVJRFFHEPJD-UHFFFAOYSA-N 404.492 1.917 30 10 HDEE CCCCOCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1709671825 MGKCXKRGDQLZIG-ROUUACIJSA-N 415.542 1.613 30 10 HDEE CCN(CC)C(=O)CCCn1c(Cc2ccncc2)nnc1N1CCO[C@@H](C#N)C1 1709995648 BMIMPNABRJPHTI-SFHVURJKSA-N 411.510 1.641 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1712263698 CPYPCRFRZJHKQF-QGZVFWFLSA-N 417.473 1.832 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1712670485 FKINBESYXRCVCM-QGZVFWFLSA-N 419.507 1.389 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1722294999 ZJUXHAUPYWOISF-QAPCUYQASA-N 418.505 1.933 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[S@](=O)C(C)(C)C 1722296923 VYTVMMJTTFPUIU-ODZUORAKSA-N 400.570 1.185 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722337292 XPXMCQJJAQCGMW-DLBZAZTESA-N 400.527 1.631 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1722369006 UZBJHQLYRHZQDW-SFHVURJKSA-N 416.551 1.539 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 1722432436 XQWWFPISJRSRKV-KRWDZBQOSA-N 406.534 1.881 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H](C)CN1CCN(CC)CC1 1722648704 VVAWADLAKXTXPR-GOSISDBHSA-N 403.575 1.296 30 10 HDEE C=CCn1c(N2CCN(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1722691681 YTTRDQMEHGBITA-OAQYLSRUSA-N 418.542 1.843 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2([S@](C)=O)CC2)C1 1722719911 CDFZPMYOJSTRLR-ADKRDUOOSA-N 418.567 1.832 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nncn1C 1724000909 BCNNCNGAMKNSNJ-KGLIPLIRSA-N 412.429 1.463 30 10 HDEE CC1(C)CN(CCn2c(Cc3ccsc3)nnc2N2CCO[C@H](C#N)C2)CCO1 1724032437 QPWYUFUQDOJWPU-QGZVFWFLSA-N 416.551 1.770 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCCN1CCOCC1 1727569588 WQLXGZDIVBWKJI-UHFFFAOYSA-N 411.510 1.488 30 10 HDEE CCN(CC)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1 1728422250 ZCGCTWSNELKIGO-ROUUACIJSA-N 406.531 1.259 30 10 HDEE COC(=O)N1CCC(Cn2c(-c3cccn3C)nnc2N2CCO[C@H](C#N)C2)CC1 1729787024 ADSKZEBDLUOQPV-MRXNPFEDSA-N 413.482 1.491 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1730402074 CBZQOKAVLDTBRQ-IRXDYDNUSA-N 402.499 1.306 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CCc1cnccn1)OC 1730467196 GBRLOQNYCFUYKA-IBGZPJMESA-N 407.478 1.947 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C[C@](C)(O)C2CC2)CC1 1739626118 GHOOXRKVNPDSRA-HLXOMJDXSA-N 400.519 1.414 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1([S@](C)=O)CC1 1740608864 JDLRAGZKRSHXKE-LJAQVGFWSA-N 410.503 1.173 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(CN(C)C)c2)CC1 1740695028 AREWWDFEQVXNQO-UHFFFAOYSA-N 416.533 1.600 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CCCN2CCOCC2)CC1 1740698669 JQQCPXJWZQCWLN-UHFFFAOYSA-N 400.571 1.488 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CC(=O)N(C)[C@H](C)C1 1740719821 LUKUTOOKMCAWMJ-QGZVFWFLSA-N 413.547 1.933 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1740782366 PTVFJHIMUHHBIO-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1740886212 ZKYOBYCVOBZXSK-OKZBNKHCSA-N 403.527 1.822 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCSC1 1740941413 KEFPEZDWJHDUJJ-CABCVRRESA-N 400.570 1.572 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)Cc1ncnn1CC(F)F 1740955661 BWMDCBKTODZNOT-UHFFFAOYSA-N 419.440 1.079 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c[nH]c3ccccc23)nnc1N(C)C[C@H](C)C(=O)NC 1740962756 NITGBVAFIAOONR-HNNXBMFYSA-N 423.521 1.471 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC(CN(C)C(C)C)CC1 1740966077 OTYMVDXJNFELSE-GOSISDBHSA-N 404.559 1.988 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H]1OCC[C@H]1C 1741931650 RGKOIRZUSQMRNV-ADAWSYLGSA-N 410.544 1.443 30 10 HDEE C[C@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCS1 1742011993 GUSZJYJXJZNRTJ-GRDNDAEWSA-N 411.553 1.195 30 10 HDEE Cc1nc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)sc1C 1742047521 FRKOYUDRTWPJIK-AWEZNQCLSA-N 401.496 1.251 30 10 HDEE Cc1nccn1CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1742629850 QSMAPVNYAMNJGX-BEFAXECRSA-N 400.462 1.657 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1747617582 HRRSJGFQCJGQCR-QGZVFWFLSA-N 415.519 1.745 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1=CCCOC1 1748663844 AKERTVQOXYAALU-OAHLLOKOSA-N 404.474 1.997 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCC(=O)N3)n2CCC(C)(C)O)c1 1748692924 RZBXVMLFSVGBGB-QGZVFWFLSA-N 424.505 1.446 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)CCC)[C@@H]1CCS(=O)(=O)C1 1748812010 OFEOUGKTURMNMT-YLJYHZDGSA-N 417.535 1.518 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@H]1CCS(=O)(=O)C1 1748965714 VDOBFZFYYYBRSW-GOSISDBHSA-N 416.547 1.698 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H]1c1nncn1C 1749097668 GZWJCWUCDMOTBS-NEPJUHHUSA-N 421.303 1.608 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@]1(OC)CCOC1 1749471101 JNQPDTKVODBRCY-IBGZPJMESA-N 406.508 1.776 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 1749689685 JAAOYHJROGKZTB-HOTGVXAUSA-N 410.478 1.154 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnccn1 1749731376 CFYCLMLYLSWOLX-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1749754445 MUWPIOFSPYXOFR-OAHLLOKOSA-N 415.585 1.521 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@H](N3CCCC3)C2)n1Cc1ccc(C#N)o1 1750958396 NPOZLYHRNBCQTR-INIZCTEOSA-N 411.510 1.994 30 10 HDEE C[C@](O)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1)c1cccs1 1751241520 GUFAEJAMGSYVGJ-LIRRHRJNSA-N 400.508 1.938 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCCOC2)C1 1760138481 ZITZIKJZYUBPMD-XLIONFOSSA-N 406.552 1.991 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1760154742 ZOLJRTFEGYXGNM-UHFFFAOYSA-N 401.515 1.742 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(O)CCN(C(C)C)CC1 1760165106 JJYOHULSVGAARD-JOCHJYFZSA-N 419.570 1.623 30 10 HDEE C#CCN(c1nnc(C)n1CCn1c(C)nc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760181250 RJJIBNSSSWMPNU-KRWDZBQOSA-N 412.519 1.572 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H](F)COC 1760193504 HDCRYYKQOPMSMM-QGZVFWFLSA-N 417.872 1.919 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCn2cncn2)CC1 1760254369 VQVYYWKMRBEEAQ-QGZVFWFLSA-N 424.484 1.604 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2C[C@@H](F)COC)CC1 1760264105 BSTHIHUYOUXNEB-QGZVFWFLSA-N 417.485 1.605 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCCCS(C)(=O)=O 1760293107 OALCEPUWRDESNM-LJQANCHMSA-N 402.524 1.942 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1760357503 JZGMEQMQRQMZSF-AQNXPRMDSA-N 419.570 1.922 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCSC1 1760559458 HOTMTNFFWWWXRM-QWHCGFSZSA-N 405.615 1.749 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCSC1 1760729060 BYEUNJPWENJYKS-HXUWFJFHSA-N 414.535 1.979 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1761433650 BSLCLQSMKYJWGX-OPYAIIAOSA-N 424.549 1.992 30 10 HDEE CCc1nnc(N2CCN(C3CCCC3)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1764920622 MKZWLSPQGHHHIC-FMQUCBEESA-N 413.526 1.432 30 10 HDEE CCOc1ccc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@H](C#N)C2)cc1OC 1767562152 CDPKXNRLXRGIQB-QGZVFWFLSA-N 423.477 1.863 30 10 HDEE COCCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)CC1 1771149538 FGITYKSWRRSFGR-UHFFFAOYSA-N 412.494 1.022 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCCC2)c1 1771531757 BLTGYCYIGYZPPX-UHFFFAOYSA-N 401.492 1.357 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1772842533 YCVQMXYRKFUDAH-APWZRJJASA-N 423.521 1.710 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)CNS(=O)(=O)c2c(F)cccc2F)CC1 1849021557 JVHGBUHVCPCZQL-UHFFFAOYSA-N 420.441 1.916 30 10 HDEE CN1CCC(N2C[C@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)CC1 1850216188 YZYFDCJBQJIUSD-LJQANCHMSA-N 424.549 1.229 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(C(=O)c2cc3n(n2)CCCC3)CC1 1851344328 KNVPQNZFJOTEGG-UHFFFAOYSA-N 423.473 1.463 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)O[C@@H]2CON(c3ccc(C#N)cn3)C2)COC1(C)C 1852095795 SGKAFHHZQSQZPP-LSDHHAIUSA-N 418.450 1.989 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)CN3C(=O)COc4ccccc43)C2)CC1 1853734451 GPNFAWNIMCMIOG-KRWDZBQOSA-N 410.474 1.413 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc(Cl)c2C)C1=O 1853804306 GUASVEASTXEPDA-SJORKVTESA-N 404.898 1.893 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 1853991498 LQOBUXHHIABHND-SFHVURJKSA-N 421.494 1.885 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2ccc(SC)cc2)C1=O)[C@@H]1CCN(C)C1=O 1854219011 LCYGYQWMNFWYAL-MSOLQXFVSA-N 401.532 1.797 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C1C(=O)CCCC1=O 1854899641 MOTVHPVMKBINJD-LBPRGKRZSA-N 401.850 1.770 30 10 HDEE Cc1cncnc1N1CCN([C@@H]2CCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CC1 1855418873 PQMZTVLAYWQDRY-LJQANCHMSA-N 404.474 1.149 30 10 HDEE C=CCN1CCN(C(=O)C[C@H]2CSc3nc(C)cc(=O)n32)C(=O)C12CCCC2 1856281567 KWJRYRQNQQERQH-HNNXBMFYSA-N 402.520 1.758 30 10 HDEE N#CCCCN1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)C(=O)C12CCCC2 1856532196 SWOPKUBVMYBOLV-UHFFFAOYSA-N 416.913 1.854 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1=O)[C@@H]1CCN(C)C1=O 1856725016 DUIRJXRTQZCGMD-RBUKOAKNSA-N 401.482 1.995 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1=O 1856725017 DUIRJXRTQZCGMD-RTBURBONSA-N 401.482 1.995 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@H]3CCN(C(=O)[C@H]4CCCCO4)C3=O)CC2)c1 1857020107 FGPFJLLTSNHLBV-RBUKOAKNSA-N 412.490 1.741 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC[C@@H](N4CCC(C#N)CC4)C3=O)CC2=O)c1 1857323519 BINSHRIPLYIJOP-VQIMIIECSA-N 410.474 1.411 30 10 HDEE CN(C[C@H]1CCC(=O)N(C(=O)C2CCCCC2)C1)C1CN(c2nccnc2C#N)C1 1857386018 BWNHFOUKDOKVAZ-MRXNPFEDSA-N 410.522 1.814 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 1861204594 DZZPFHNGKWZFNE-FUHWJXTLSA-N 420.941 1.605 30 10 HDEE C=CCN(CC=C)C(=O)[C@H](C)NC(=O)c1cccc(N2CCCCS2(=O)=O)c1 1868620182 XXXICJKAODIKMM-INIZCTEOSA-N 405.520 1.936 30 10 HDEE C=CCn1cc(OCc2cccc(OC)c2)c(=O)cc1CN1CCN(CCO)CC1 1870606168 ALWGKPQLMAREEA-UHFFFAOYSA-N 413.518 1.732 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCc1cnc[nH]1)n2CCOC 1873589161 CZHZOVRWMHWFKM-UHFFFAOYSA-N 409.494 1.952 30 10 HDEE C=CCNC(=O)c1cc2c(N3CCN(C(=O)OCC)CC3)ncnc2n1CCOC 1873590302 NTNMXTSTZVHUHA-UHFFFAOYSA-N 416.482 1.272 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 1900400595 YOHKPEKRKOYQHM-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CN([C@H]1CCN(C(=O)OCc2ccccc2)C1)S(=O)(=O)c1ccc(C#N)nc1 1963329239 DUYOVTOHXWBJMZ-KRWDZBQOSA-N 400.460 1.985 30 10 HDEE C=C(CNC(=O)[C@@]1(CO)CCN(C(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991966910 RWCWUKCURSFVND-FQEVSTJZSA-N 410.320 1.910 30 10 HDEE C[C@@H](c1cccc(C#N)c1)N1CCN(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)CC1 2087883891 GQNYDPUSHPHIAC-JKSUJKDBSA-N 404.536 1.912 30 10 HDEE CN(CCc1nc(NS(=O)(=O)c2ccc(C#N)s2)n[nH]1)C(=O)OC(C)(C)C 2185280405 WQCJTUXFOKHYFP-UHFFFAOYSA-N 412.497 1.948 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)C2(CC2)CO1 2185706810 RJHLPJKEMLXSIV-LSDHHAIUSA-N 401.529 1.870 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(C#N)s1)[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238441011 MOFKDTPQYPLOIB-SJCJKPOMSA-N 415.537 1.906 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1CON(C(=O)OC(C)(C)C)C1 2247858560 OOOVPYBJUWYMSD-AWEZNQCLSA-N 421.303 1.605 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)C#CB3OC(C)(C)C(C)(C)O3)O2)C1 2247929157 DYPUZWAFKTVMPJ-HNNXBMFYSA-N 420.315 1.906 30 10 HDEE COC[C@]1(C(=O)NCCC#CBr)CN(C(=O)OC(C)(C)C)CCO1 2249998741 MSQAZORMXALNQZ-INIZCTEOSA-N 405.289 1.501 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCO[C@@H]4C[C@@H]43)cc2Cl)OC1(C)C 2267356836 OSEGFRLMSVUCQA-WDEREUQCSA-N 405.734 1.863 30 10 HDEE CCCNCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267357669 VQNHIBYRUALWHS-UHFFFAOYSA-N 408.782 1.979 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC[C@H]3CO)cc2Cl)OC1(C)C 2267705352 XOIFQVSMXIUFNT-ONGXEEELSA-N 407.750 1.750 30 10 HDEE C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282010067 TYODDENDUKMKPQ-QWRGUYRKSA-N 402.347 1.336 30 10 HDEE CCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(N)=O 2282300934 LMJKTSDDHCISDE-LLVKDONJSA-N 402.347 1.288 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCSC(C)(C)C 2282348678 NUOVUESSPQDDDD-UHFFFAOYSA-N 403.379 1.529 30 10 HDEE CC1(C)CN[C@@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349419 YJFFVWUWJNLBGT-GFCCVEGCSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCCC[C@@H]2CN)OC1(C)C 2282414508 TZMXGHRJIMAEKD-GFCCVEGCSA-N 401.363 1.085 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC(F)(C3CC3)C2)OC1(C)C 2282417726 DQAMUIRVZPZCEL-UHFFFAOYSA-N 402.322 1.706 30 10 HDEE CN(C)[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282490427 HLFVXQPVCZSRSX-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCCNC2)c1B1OC(C)(C)C(C)(C)O1 2282501784 BSIWHSUPYPKLNZ-CYBMUJFWSA-N 400.375 1.694 30 10 HDEE C[C@@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CO 2282506377 RGRWCIYLBVODLQ-TZMCWYRMSA-N 401.359 1.437 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@](C)(=O)C[C@H]1O 2282595472 URFBHNIBEIGWDH-PQIHIXOVSA-N 400.246 1.217 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)CC[C@@H]1C 2282825956 NYZZQBCBMRDGHY-AAEUAGOBSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(F)CCNCC3)c2)OC1(C)C 2282847558 ANNFMYXFUKZHJR-UHFFFAOYSA-N 404.338 1.417 30 10 HDEE C[C@H]1CC[C@H](CN)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852754 TUVHFJAQEIHBGF-GXTWGEPZSA-N 400.375 1.795 30 10 HDEE CN([C@H]1CCOC[C@H]1F)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282863597 UICOPNWLHVGBRK-OLZOCXBDSA-N 405.322 1.795 30 10 HDEE CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866036 CESOKKCIRABQJC-KBPBESRZSA-N 400.375 1.808 30 10 HDEE CC1(C)CC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1 2282870817 XYCJMRQGHWIPIK-LBPRGKRZSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@H](O)[C@H](F)C2)OC1(C)C 2282876040 XIGKNPXRGCFWLP-OLZOCXBDSA-N 405.684 1.343 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NOCCC(=O)O)ccc2Cl)OC1(C)C 2284397214 JXYDKQUEEBTPAV-UHFFFAOYSA-N 405.665 1.324 30 10 HDEE N#Cc1cc2c([nH]c1=N[C@H]1COCCN(C(=O)OCc3ccccc3)C1)CCOC2 2294778645 DHQGRSVCSGYRKZ-LJQANCHMSA-N 408.458 1.897 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(SC)CN(C(=O)OC(C)(C)C)C1 2342058384 IVDNJROGJBSPNX-AWEZNQCLSA-N 402.582 1.898 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)n1C 2362571547 OLPAXELLGLFTJK-CQSZACIVSA-N 405.304 1.443 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCC[C@@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365172217 VYJOUXYQBBEVGM-LIRRHRJNSA-N 401.525 1.780 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)COC[C@@H](C)NC(=O)OC(C)(C)C 2367794467 HTOZLAWHARICNH-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE COCC[C@]1([C@H](O)C#CC2(S(C)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 2367797718 NZESLJGTUJGUCL-BEFAXECRSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367801100 OYFYDFNRLQJKHI-CABCVRRESA-N 400.541 1.699 30 10 HDEE C=CCC1(N[C@]2(C(=O)O)CC[C@H](S(C)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2377200142 ZKLMJYUEDXTEMK-SCLBCKFNSA-N 402.513 1.562 30 10 HDEE Cc1ccc(C(=O)NCc2ccccn2)cc1/N=C1\N[C@H]2CS(=O)(=O)C[C@@H]2S1 4193527 NZVMROQWFHNFIG-IRXDYDNUSA-N 416.528 1.810 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3nccs3)n2N)cn1 59830138 POISLDDMYTVBCG-UBKPWBPPSA-N 404.485 1.008 30 10 HDEE C=CCOc1ccccc1NC(=O)CN1CCNC(=O)[C@@H]1CC(=O)OCCCC 66228201 NQFIMJWKKPIMMR-KRWDZBQOSA-N 403.479 1.724 30 10 HDEE N#C[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130060795 XNZAIZWAFYSIRS-PRHODGIISA-N 420.228 1.960 30 10 HDEE Nc1nnnn1N=Cc1ccc(-c2ccc(S(=O)(=O)Nc3nccs3)cc2)o1 254924688 XWIFPPWHXULQSR-UHFFFAOYSA-N 416.448 1.655 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)CCS(C)(=O)=O)ccc2Cl)OC1(C)C 404869103 DSVAYOKXHSIIOE-UHFFFAOYSA-N 423.749 1.426 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)cc(Br)c2)CC1 444059709 OBSBLKZCLXUFSD-UHFFFAOYSA-N 416.341 1.366 30 10 HDEE Cc1n[nH]cc1-c1nnc(NC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)s1 444988366 FOGJJOHKBGYOSR-UHFFFAOYSA-N 408.491 2.458 30 10 HDEE C[C@@H]1[C@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(=O)N1Cc1ccccc1 466843916 GRSOJTZNBZTXIM-YLJYHZDGSA-N 418.501 1.974 30 10 HDEE Cc1cnc([C@@H](C)NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 488551354 UHJXDEYHKAJQBZ-CQSZACIVSA-N 403.464 1.632 30 10 HDEE CC1(C)CC[C@@H](CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)O1 489509237 GITLABOVOAHGSO-INIZCTEOSA-N 406.508 1.532 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)Cc2cc(C)[nH]n2)cc1 491599264 PMUQNWPGRCDXKS-ZDUSSCGKSA-N 419.507 1.211 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 503625730 OJICVUBUZCGZTD-ZDUSSCGKSA-N 419.279 1.386 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 504908472 KLSWSUZSCOADFH-UHFFFAOYSA-N 410.497 1.992 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cnn(-c3cccc(C(F)(F)F)c3)c2)C1=O 505170547 FRCMGOMMWTZKQO-UHFFFAOYSA-N 421.335 1.806 30 10 HDEE N#CCCN(Cc1ccccn1)C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1 505206916 HKNKLAUDXKHTKL-NRFANRHFSA-N 417.469 1.800 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(c2)C(=O)N(CCCC)C3=O)CC1 506270115 KFZUKYWMBPELSK-UHFFFAOYSA-N 412.490 1.143 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(COC)cc2)c(=O)n1-c1ccccc1C 525686679 ATRNTNLRBPXWCD-UHFFFAOYSA-N 419.506 1.603 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(CC(=O)N3CCN([C@@H](C#N)c4cccs4)CC3)[C@H]2C1 537244111 XHOUUIHBTFVZPA-XWSJACJDSA-N 418.563 1.725 30 10 HDEE COC(=O)Cn1cc(CCOc2cc(C#N)ccc2I)nn1 540809078 QFZJBHJPLHYTNA-UHFFFAOYSA-N 412.187 1.549 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NC[C@H]3CC(=O)N(Cc4ccccc4)C3)CC2)n1 546189527 LWJZRWBCKFKYTD-LJQANCHMSA-N 418.501 1.834 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@@H](C[C@@H]2CCOC2)C(=O)O)c1 548536995 DOCPEQOOIPFNEQ-ZANVPECISA-N 403.254 1.479 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1 553353789 HEDAHKAQXRFUIH-UHFFFAOYSA-N 404.879 1.729 30 10 HDEE COc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1F 570870214 DLTVYPALDOEHDN-CQSZACIVSA-N 411.437 1.627 30 10 HDEE N#Cc1cccc(N2CCN(c3nnc(-c4ccc[nH]4)n3C[C@@H]3CCOC3)CC2)n1 571228354 DBULGZXSGLFQJI-INIZCTEOSA-N 404.478 1.903 30 10 HDEE CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(S(=O)(=O)c2cncc(C#N)c2)C1 574846714 NIBOSQIUQMIDRO-ZDUSSCGKSA-N 404.414 1.765 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCc2cn3cc(Cl)ccc3n2)c1 602343096 UUNUXHGSJXEMBC-UHFFFAOYSA-N 403.851 1.454 30 10 HDEE Cc1ccoc1C=c1sc(=C(C#N)C(=O)N2CCCC2)n(Cc2ccccc2)c1=O 610358225 UGELTCXOLZGZGA-UHFFFAOYSA-N 419.506 1.985 30 10 HDEE CC1(C)OB(c2cnc(CNC(=O)[C@@H]3CCCCS3(=O)=O)s2)OC1(C)C 714697116 QSHGYNXSVMLKJY-NSHDSACASA-N 400.331 1.026 30 10 HDEE COc1ccccc1CCN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 729405494 FGLOKYNBTSEWML-UHFFFAOYSA-N 401.488 1.825 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N([C@@H](C)CN2CCN(C)CC2)C1=O 730139699 ILAHKMYFMCUBFE-WMZOPIPTSA-N 417.579 1.699 30 10 HDEE N#Cc1cccnc1NCCOC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 732503018 LQSOJFYXCCQIBL-LJQANCHMSA-N 419.441 1.384 30 10 HDEE N#Cc1cnn(CCOC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)c1N 733698644 WSXHORUACFJLJY-GOSISDBHSA-N 404.430 1.316 30 10 HDEE C=C(COC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OCC 734024914 UILCZRCWGOOWHN-UHFFFAOYSA-N 401.412 1.123 30 10 HDEE COc1cc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)ccc1C 742394699 XJCFRDZUJUKWOF-UHFFFAOYSA-N 414.487 1.485 30 10 HDEE N#CCOc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccon2)CC1 743858446 XUQBFBFUICWLIH-UHFFFAOYSA-N 410.883 1.878 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(CC(F)F)C1=O 751926511 VNNKWGCSEVZFMD-CGUCZKFASA-N 413.494 1.257 30 10 HDEE Cc1ccnc(C2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cccc(C#N)c3)CC2)n1 754479171 YNHDNOOBRHYURF-OAHLLOKOSA-N 413.503 1.730 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC2(O)Cc3ccccc3C2)C1 758776871 MKOFXFPREJWDPZ-DLBZAZTESA-N 400.479 1.575 30 10 HDEE C#CCN(C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCS(=O)(=O)C1 767322800 MWNLNYPACDZFNF-MRXNPFEDSA-N 402.472 1.183 30 10 HDEE COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)N2CCN(c3ncccc3C#N)CC2)C1 773569939 UALXNDXFIQXHAU-DOTOQJQBSA-N 400.483 1.652 30 10 HDEE C#CCN(C(=O)Nc1ccc(CN(C(C)=O)C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774044905 SZMLIADIAUSXOK-LJQANCHMSA-N 403.504 1.852 30 10 HDEE CN(CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)CC(C)(C)S(C)(=O)=O 776006288 COKZWCZVJXTCJI-SFHVURJKSA-N 424.542 1.290 30 10 HDEE COC(=O)C1=C(C(C)=O)[C@H](c2c(Br)cnn2C)NC(=O)N1CC1CC1 783922166 FSTQBOYALUXCCD-GFCCVEGCSA-N 411.256 1.675 30 10 HDEE COCCN(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)[C@@H]1CCOC1 785699367 SYWYDSGWBYSYCM-JIQGDJCJSA-N 424.523 1.769 30 10 HDEE Cc1ccc(C(=O)NCC2CC2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 785989321 FRNHKRKPRKFLKJ-SFHVURJKSA-N 409.490 1.272 30 10 HDEE Cc1ccn2ncc(C(=O)Nn3c(C)c(Br)c(C)c(C#N)c3=O)c2n1 791173686 VDXDLSJGYWVAKS-UHFFFAOYSA-N 401.224 1.834 30 10 HDEE Cn1nc(CC(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)c2ccccc2c1=O 791972340 LKWNGKPPXMPUHV-MRXNPFEDSA-N 403.442 1.955 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(=O)CC)ccc2Cl)CC1 795065224 QETHNHVGTTUSQI-UHFFFAOYSA-N 413.927 1.541 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 798081052 DNOQTHVPHXELGX-MCIONIFRSA-N 407.492 1.352 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)NC(=O)[C@]12[C@H]3C(=O)[C@H]4[C@H]5C[C@@H]([C@@H]41)[C@H]2[C@H]53 800412537 ZQQDYITYNBATGQ-IEKKQPAFSA-N 422.384 1.709 30 10 HDEE CCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 801937163 FVBMJLYEVIFPKN-OAHLLOKOSA-N 414.539 1.435 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)COC(=O)/C=C\c2cn(C)c(=O)n(C)c2=O)cc1C 809249394 HCYSCCYFHPKZQG-CLFYSBASSA-N 424.457 1.204 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)c1 811880314 LDTNNCJISAFUQP-KRWDZBQOSA-N 423.539 1.391 30 10 HDEE COc1ccc(CN/C(=N/CC[C@@H](O)C(F)(F)F)NC[C@H](O)C(F)(F)F)cc1 864236254 DNMVXZQVVNUIGQ-OLZOCXBDSA-N 417.350 1.967 30 10 HDEE Cn1cc(/C=C/C(=O)Nc2ccc(Oc3cccc(C#N)c3)nc2)c(=O)n(C)c1=O 915198643 NDVCYGIQCOCIHK-SOFGYWHQSA-N 403.398 1.795 30 10 HDEE C#CCN(C(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1)[C@H]1CCS(=O)(=O)C1 918755511 AHEANZPQZMLRAZ-LBPRGKRZSA-N 406.460 1.456 30 10 HDEE N#Cc1ccccc1NC(=S)NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 921144331 XRDVAOYJVYMGPW-UHFFFAOYSA-N 405.461 1.731 30 10 HDEE COc1ccc(O)c(C=NNc2nc(SCC(=O)NCc3ccco3)n[nH]2)c1 1084297529 ZWEGZAMAILOIDZ-UHFFFAOYSA-N 402.436 1.966 30 10 HDEE COc1cc(NC(=O)CSc2n[nH]c(NN=Cc3cnn(C)c3)n2)cc(OC)c1 1084474239 QSUHFNXASPQSEJ-UHFFFAOYSA-N 416.467 1.732 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@]2(CCOC2)O1 1128314387 BFHHTKBCJKKXQS-RCDCFZSISA-N 403.866 1.971 30 10 HDEE N#Cc1c(NC(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)nc2n1CCOC2 1134818232 UKVKSNIPHULUCA-INIZCTEOSA-N 423.473 1.931 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2cccnc2OCCO)c1 1136281445 FGZBCMGHVUXENH-OQKWZONESA-N 418.475 1.518 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)C[C@@H](O)CNC(=O)OC(C)(C)C 1136487985 BOZZGSXUHDRDCY-GOSISDBHSA-N 404.511 1.724 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C)c1ccc(Br)cc1 1141460721 FFLOYTRJAARIIT-HUUCEWRRSA-N 408.296 1.646 30 10 HDEE C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1142979881 MBMCDZQGMLQSCS-HZPDHXFCSA-N 409.531 1.542 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)C2)c(F)c1 1148802247 PZLUNBCVFLFDMV-AWEZNQCLSA-N 420.441 1.627 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1Br)NS(=O)(=O)N(C)C[C@@H](C)C#N 1213939169 CBDOWFCYTJWTPK-SMDDNHRTSA-N 418.313 1.459 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2cccc(CN3CCC[C@H](C(N)=O)C3)c2)C1 1221867959 IBBCXVAONYAECK-LEWJYISDSA-N 411.550 1.281 30 10 HDEE CN(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)[C@@H](CO)Cc1ccccc1 1225935632 AMKJPOKNHGALMO-KZNAEPCWSA-N 402.495 1.990 30 10 HDEE CCCN1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1253528750 CFAXLJNCMCIHLV-KRWDZBQOSA-N 405.524 1.058 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1coc2c1C(=O)NCC(C)(C)C2 1266191223 WYTJXBFZNZSLAE-ZDUSSCGKSA-N 408.462 1.604 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC[C@H](C(F)F)N1CCOCC1 1286450379 QOQXSRCNMSALGI-MRXNPFEDSA-N 424.496 1.216 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)NC(C)(C)C)CC1 1286482331 QCFUNPUMSGOVBV-UHFFFAOYSA-N 409.538 1.324 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2Cc2conc2COC)CC1 1286490228 IUXHZJMUVCQOKV-UHFFFAOYSA-N 412.494 1.694 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C)n(C)c2=O)C1 1286803233 CCVPNWLWQKICHQ-GOSISDBHSA-N 409.494 1.515 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2COCCO2)CC1 1286918386 NISZAINGJJMSAP-HXUWFJFHSA-N 424.505 1.727 30 10 HDEE CC(C)c1nnc(N2CC[C@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287204076 NEDBBBBTLCZOGD-ZWSWSHGQSA-N 400.483 1.545 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@](C)(O)c1ccccc1 1288099457 BWLUGUPUNPXGGB-WOJBJXKFSA-N 400.458 1.766 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)CCCO1 1291279175 JNAGHHRWNJTHRD-DOTOQJQBSA-N 410.478 1.623 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@]1(N2CCOCC2)CCSC1 1300309791 VKIDTBJZOHSIIE-SQGPQFPESA-N 405.568 1.448 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C(F)(F)F)O[C@H](C)C1 1300411776 XDKOLWOOFMOYAH-MCIONIFRSA-N 420.457 1.750 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCC(=O)N(C)C 1300439494 DUKQWTXHXJUAKK-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CCOCC1 1300549092 WWLOYDJCGFTSQJ-UHFFFAOYSA-N 405.458 1.343 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2Cc2cccn(CC)c2=O)CC1 1300729066 MCHZZGOMCCUVHG-UHFFFAOYSA-N 422.533 1.426 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(CCOC)[C@@H](C)C1 1300755045 KCIKVYDBXLOATE-INIZCTEOSA-N 403.556 1.202 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1301347274 SHLZAIJJBRDXSI-OAHLLOKOSA-N 407.540 1.852 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCCN(CC)C(=O)C1 1301618718 WOOCFWHWRQJVSG-UHFFFAOYSA-N 406.556 1.378 30 10 HDEE CN(C)C[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1302115083 GZCFEVFOAJQEPY-CQSZACIVSA-N 409.368 1.258 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC3(CCOCC3)CO2)cc1S(=O)(=O)NCC#N 1302582884 NEZQAYBBDDZROV-INIZCTEOSA-N 407.492 1.112 30 10 HDEE C=CCOc1cc(OC)ccc1C(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1304190350 YQUQIUPBGSCREQ-UHFFFAOYSA-N 410.478 1.867 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1304193414 HYZAUMPQDRYNTH-HXUWFJFHSA-N 409.467 1.683 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1CCC1(O)CCOCC1 1305721244 ALEIMYLXEGKQMV-OAHLLOKOSA-N 406.531 1.724 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)o1 1306009078 CQCDAKVSYMBTSA-FZKQIMNGSA-N 422.486 1.529 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307460994 GZQFEUDLMYABHP-SFHVURJKSA-N 422.529 1.351 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 1307649289 DFLUDTCVHXOIJL-UHFFFAOYSA-N 418.441 1.119 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1nc(C)sc1-c1ccccc1 1309079853 RKMLJMFDPCPAMX-HNNXBMFYSA-N 410.542 1.930 30 10 HDEE C=CCC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1310106738 XNCKZRGERDTLJJ-AWEZNQCLSA-N 413.496 1.165 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1310185140 CWUKACMONLYONT-UHFFFAOYSA-N 408.524 1.126 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1)OC 1315800285 SEJCWPBBWFFMGA-FGTMMUONSA-N 410.478 1.193 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2Cc2cnn(CCOC)c2)c1 1358901833 XWQOFGJXPRNUJX-UHFFFAOYSA-N 407.478 1.534 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)CCN1CCOC(C)(C)C1 1358910830 CNZGXBZVDBISOH-QGZVFWFLSA-N 402.543 1.580 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CNC(C)=O)CC1 1358936978 DQGWOGRTKHSBJU-OALUTQOASA-N 403.527 1.768 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCOC 1358977544 ORWFUJGYRJLBQC-GOSISDBHSA-N 407.474 1.376 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1359002999 UWQYKRUGSHETBR-XUTLUUPISA-N 420.473 1.940 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCC1(C)C 1359010394 OGCDSAXSQAMZSI-IRXDYDNUSA-N 423.583 1.897 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1359238759 VRYIXPSNQSCGHK-IBGZPJMESA-N 410.522 1.732 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1359289365 ZIFIVHUCVNKOLS-UHFFFAOYSA-N 402.528 1.327 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCCO[C@H](c2ccccc2)C1 1359299662 KPJSWOSTIYWZCY-ROUUACIJSA-N 424.505 1.499 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NCCCC)C1 1359307049 ZCGMYFJSEYYZFN-IAGOWNOFSA-N 418.542 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1359326472 AXUPITUVFHGQEQ-UONOGXRCSA-N 404.558 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](c2ccco2)C1 1359336346 MQQARKWQOQISMX-IAGOWNOFSA-N 422.507 1.901 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)CC2CC2)C1 1360784548 HBDJVTRZHPFWAL-BEFAXECRSA-N 420.539 1.184 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc([N+](=O)[O-])c(OC(C)C)c2)CC1 1443353413 FBQGIDZNNLTLNK-UHFFFAOYSA-N 402.451 1.279 30 10 HDEE C=CCOC[C@H](NC(=O)c1cnn(C(C)C)c1I)C(=O)OC 1448495460 NFGZHFGXPHHBNP-NSHDSACASA-N 421.235 1.543 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN3C(=O)N(CC(C)C)C[C@@H]3C2)c1 1448913773 LTDHZKYJCCCGER-SFHVURJKSA-N 417.531 1.702 30 10 HDEE COCc1nnc2n1CCN(C(=O)c1ccc(C)c(B3OC(C)(C)C(C)(C)O3)c1)C2 1452934201 VWCASEYOJQGCIU-UHFFFAOYSA-N 412.299 1.688 30 10 HDEE C[C@@]1(C(F)F)CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCO1 1453804580 HSLWSAAALBIPGM-LIRRHRJNSA-N 406.389 1.646 30 10 HDEE N#Cc1ccc(OCC(=O)N2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1Br 1455503441 ZZNDJPOHIDZHKY-OLZOCXBDSA-N 413.293 1.593 30 10 HDEE CC[C@@H](CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)C(=O)OC(C)(C)C 1455993420 DIZDAVIUCGCIDK-AWEZNQCLSA-N 409.508 1.895 30 10 HDEE CC[C@H](CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1456004877 WMGHMMQJUCRHIY-CYBMUJFWSA-N 409.508 1.599 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)cc1 1456728395 PERYUIAGGYFVDN-BGYRXZFFSA-N 408.520 1.138 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(CCN2CCOCC2)Cc2ccco2)c1 1460243512 FOWGZADHLJMKRB-UHFFFAOYSA-N 410.474 1.743 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)[C@@H]2COC[C@H]2O1 1460334541 PDILNAQUYFCWCS-GVDBMIGSSA-N 404.536 1.335 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2nn(C)cc2Br)c1 1468200968 KUQGCDMEHNWWIO-UHFFFAOYSA-N 413.297 1.577 30 10 HDEE O=C(N[C@H]1CCCN(O)C1=O)c1cc(Br)nn1-c1ncccc1Cl 1468452527 HLLFYCLCQAKLPC-VIFPVBQESA-N 414.647 1.793 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H](CNS(=O)(=O)C2CC2)C1)C(=O)OC(C)(C)C 1468698808 MAAYUDPLPJXCLE-OAHLLOKOSA-N 413.540 1.177 30 10 HDEE CNC(=O)[C@H](CNC(=O)c1nc(O)c(C#N)cc1C)Cc1ccc(OC)c(F)c1 1469401014 KNTQFYOGHMAXQK-AWEZNQCLSA-N 400.410 1.450 30 10 HDEE N#CC1(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CCCCC1 1470194777 XNCXWCRDLPTNGK-ZACQAIPSSA-N 409.552 1.686 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)c2ccc(F)c(Cl)c2)c1=O 1473069407 RXJBXGIWRNYWGM-UHFFFAOYSA-N 421.812 1.899 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@](C)(C(=O)OC(C)(C)C)C3)CC2)o1 1473528792 GAYCXICGMGZYIS-NRFANRHFSA-N 417.510 1.557 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1473857712 CCZVRDCWEHFXQD-ZFWWWQNUSA-N 404.492 1.335 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCOC(C)=O 1475678858 VPRUAUSFQFQUIO-UHFFFAOYSA-N 402.513 1.604 30 10 HDEE Cn1c2c(ccc1=O)[C@@H](NC(=O)N[C@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 1478567002 CXTIPGKYFMYKLB-OALUTQOASA-N 419.485 1.735 30 10 HDEE C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1494341535 DBVAYTNTQJTSSX-MGPQQGTHSA-N 405.480 1.307 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)C1 1503746938 KRPFOVLQFUAYNK-GBESFXJTSA-N 424.505 1.319 30 10 HDEE COc1cc(C)cc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H](C)CC#N)c1 1504059948 AUSURWDQXZMZRE-HUUCEWRRSA-N 420.539 1.992 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1507624570 BOHDEVIKQWEHGE-XLIONFOSSA-N 424.567 1.747 30 10 HDEE C#CCN(c1nnc(CC)n1CC(F)(F)Br)[C@@H]1CCS(=O)(=O)C1 1507633797 HWXVSFDNYOXYOB-SNVBAGLBSA-N 411.272 1.455 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1C[C@@H](C)Oc1ccccc1OC 1507639099 VTDPJJBPKCYCBZ-QGZVFWFLSA-N 409.490 1.965 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1csc(CC)n1 1507711530 WDLPDYGXYJINPQ-AWEZNQCLSA-N 423.564 1.333 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@]2(OC)CCOC2)CC1 1507718924 WHNNVGDUIASNQX-QFIPXVFZSA-N 411.506 1.514 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@H](C)N2CCOCC2)CC1 1507726485 BMLKHLVEHZYODN-NRFANRHFSA-N 422.577 1.539 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCCCC2 1507759299 DMYLEEWUMHDVIJ-OAQYLSRUSA-N 410.526 1.775 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCCCN2CCOCC2)CC1 1507908999 NMMYGSLBSHBGIZ-UHFFFAOYSA-N 416.570 1.915 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)c1ccc(C)cc1 1508077261 XZYVBTKIIYTYSJ-CQSZACIVSA-N 406.512 1.267 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@H](Cc2cnn(C)c2)C1 1508145681 OQDPXXPRKGRDAF-QGZVFWFLSA-N 420.583 1.880 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1514410671 POZUFWCKDFMCSV-RHSMWYFYSA-N 414.507 1.243 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(COC)CCCCN2C(=O)OC(C)(C)C)CC1 1519096448 UYXBNVUBBLUUNK-QFIPXVFZSA-N 421.538 1.781 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCCn2cnnn2)CCO1 1521129713 NJJVIMHCMLUMJX-CYBMUJFWSA-N 417.836 1.543 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCCc1ccc(S(N)(=O)=O)cc1 1523625643 BBELURJWLLPPRU-UHFFFAOYSA-N 408.277 1.941 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CN3CCCC4(CC4)S3(=O)=O)CC2)c1 1527043584 AUQYDDLPBVOHOW-UHFFFAOYSA-N 416.547 1.597 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C1CC1 1529311911 CGPAIPKXORKXLQ-ZFWWWQNUSA-N 401.529 1.998 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)[C@H](C)C1 1535222017 GLOAPLHDSYGAKZ-CVEARBPZSA-N 410.515 1.669 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539210694 FVBUIXPVUMFZDO-HOTGVXAUSA-N 403.508 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCn1cccn1 1539260270 MIGKKWCRWJXRJA-UHFFFAOYSA-N 412.457 1.954 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ncn(C)n2)CC1 1539459277 CCJMFZNLXDSZSR-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1539505087 UTQBWONGVCQGEU-HNNXBMFYSA-N 407.507 1.883 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCc2ccc(O)cc2C1 1539774685 DIGHHWAFNXWHNL-GFCCVEGCSA-N 411.915 1.909 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCNS(C)(=O)=O)CC1 1539860970 LCOWNEQXUUQWPX-HZPDHXFCSA-N 411.572 1.902 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1539976661 CBSDQFNUGUEBIT-KRWDZBQOSA-N 416.526 1.308 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1540870825 XTZDXWPAPQAOAR-HOTGVXAUSA-N 415.498 1.897 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C2CC2)C(=O)C1 1540873643 FKTIGBOOSIHJQE-UHFFFAOYSA-N 408.506 1.177 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN2CCC(C)CC2)C1 1540891288 RTMWBCOHVHZPNZ-MSOLQXFVSA-N 402.543 1.742 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@]2(O)CCSC2)C1 1540895703 XTEUHMHCOZOXQO-YLJYHZDGSA-N 418.567 1.789 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CCc1nccs1 1541925749 HOHSYIWTTATBEI-CYBMUJFWSA-N 423.568 1.718 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCc3nnnn3C3CC3)C2)C1 1545090370 BAHBUZMJJOMGJG-FWHMADFJSA-N 401.471 1.411 30 10 HDEE CCc1nnc(N2CCCC3(CCOCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1546513363 RNOGFLXFOBOZCP-HNENSFHCSA-N 414.510 1.764 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1554234399 UPVKZQGLJFTOEY-RMYFCYLKSA-N 400.483 1.545 30 10 HDEE COC[C@@H](F)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC#N 1555271337 FOXPUJOFPGESFY-KBPBESRZSA-N 423.518 1.961 30 10 HDEE C[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)COc2ccccc2O1 1557650212 HIFITVKUOJNECK-IBGZPJMESA-N 401.444 1.183 30 10 HDEE Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N[C@@H]2CCCN(O)C2=O)c1O 1569676434 TVANPJUREFAVLI-QGZVFWFLSA-N 423.425 1.607 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1587808182 NSHOVUBGOUFTRT-DLBZAZTESA-N 408.572 1.366 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C2 1587923745 FPLXMYVASATZKE-AWEZNQCLSA-N 420.288 1.865 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)COC)[C@H]1CCS(=O)(=O)C1 1588054937 QFXHKPZXJRUFSI-IKGGRYGDSA-N 410.540 1.429 30 10 HDEE N#Cc1ccc(N2CC[C@@H](C(=O)N3CCN(CCc4cnccn4)CC3)C2)c(F)c1 1588071505 FVLNUOSTCVENCW-GOSISDBHSA-N 408.481 1.701 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1 1588128726 QEFPDLPNQQUZQX-UHFFFAOYSA-N 404.430 1.531 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCNS(=O)(=O)c1ccccc1 1588144223 XGXZAICODRZPMM-UHFFFAOYSA-N 413.547 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](C)Oc1ccccc1OC 1588159025 OMSAFQBKMYLOOI-SFHVURJKSA-N 421.501 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N1CCOCC1 1588162106 JFAIVOCQZXXABQ-LJQANCHMSA-N 418.501 1.522 30 10 HDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CCN(C)C(=O)C1 1589109500 CVNDJVZNTFGRQG-UHFFFAOYSA-N 408.531 1.926 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccncc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1589557832 JHEUEPSVCVNGKX-CDXJDZJCSA-N 410.522 1.912 30 10 HDEE C=C(Cl)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCS(=O)(=O)CC1 1593851665 AAQHAUQKAQAIIH-UHFFFAOYSA-N 410.883 1.704 30 10 HDEE C=CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1594669292 VDFJHWVNGRUSDV-UHFFFAOYSA-N 402.886 1.764 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1595314327 QLVCKJZBAPNORD-UHFFFAOYSA-N 402.418 1.646 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1595466715 MKEUXFISTRRRQB-UHFFFAOYSA-N 419.574 1.084 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1595812226 PVBQJYWAJJWUPP-IAGOWNOFSA-N 421.567 1.326 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1sccc1S(=O)(=O)N1CCOCC1)C2 1595972549 PSKNZXPNCPCBKX-INIZCTEOSA-N 417.512 1.538 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)cc1 1596979220 XNZGNWCLZCKGLD-KRWDZBQOSA-N 413.503 1.920 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2cnn(Cc3ccc(C#N)cc3)c2)[C@H]1c1cccnc1 1597582948 SEPYVQQAOHSLTR-RTWAWAEBSA-N 416.441 1.735 30 10 HDEE CC(C)SCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1611135988 MKNCTBHRCAHYCY-CYBMUJFWSA-N 404.496 1.876 30 10 HDEE C=CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1)C(=O)OCC 1611408179 HYHWZQGWSKJCMT-ZFWWWQNUSA-N 420.462 1.689 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nnc(S)n3C)C2)c1 1616741835 KQNMNISUBDXQPB-OAHLLOKOSA-N 418.544 1.921 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1 1618173004 IAKKNDXAIFXYOM-QFBILLFUSA-N 408.520 1.543 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC[C@H](CNS(=O)(=O)C3CC3)C2)c1 1618333597 FWGFAFQBNKWICZ-MRXNPFEDSA-N 418.519 1.110 30 10 HDEE CC(C)(C)c1cc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc2ncnn12 1618732563 UNIPIWYFPFNVSP-MRXNPFEDSA-N 417.473 1.824 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC[C@@H]1C 1620111241 OBNPLHVICLKSKA-FJIDUMEYSA-N 404.515 1.215 30 10 HDEE CS(=O)(=O)c1ccc(CCn2c(CC3CC3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620149484 GOYGWUVMSHIYKC-KRWDZBQOSA-N 415.519 1.606 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCC(=O)OCC 1622563360 PEDLENSYFCEDFU-UHFFFAOYSA-N 416.540 1.994 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1 1623640724 MTXQESGMCVCVGJ-ZWKOTPCHSA-N 406.914 1.482 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 1623849466 AENNLRLQLZTMSK-KKSFZXQISA-N 415.494 1.362 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H](NC(C)=O)c1cccc(Br)c1)C(=O)OC 1626208334 LYGVNRSYDUNEOP-LSDHHAIUSA-N 413.268 1.487 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]([C@@H]1CCCO1)C1(CO)CCC1 1627650428 DIHXRHKBOBGYJV-AZUAARDMSA-N 411.506 1.977 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc3[nH]c4c(c3c2)CN(C)CC4)CC1 1628146319 FDXNPHQBYRBQLZ-UHFFFAOYSA-N 407.518 1.053 30 10 HDEE Cc1csc(NCCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1629476270 MIFFXXPVUGRNSY-LLVKDONJSA-N 407.521 1.497 30 10 HDEE C#CCCN(CCOC)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1630325795 OIFJHMNZOYLLQA-ZDUSSCGKSA-N 406.426 1.871 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)Cn1nc(C(F)(F)F)c2c1CCOC2 1630764897 VMSDOTHOXREOIY-UHFFFAOYSA-N 411.388 1.243 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCOC[C@H]1c1cccn1C 1632618730 APXPXRUASORPPK-KSSFIOAISA-N 402.476 1.164 30 10 HDEE C#CCC1(NC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)CCOCC1 1633277330 MGGJRLAGETVEOA-UHFFFAOYSA-N 419.547 1.984 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(=O)N(C)[C@@H]2c2ccccc2)s1 1633291988 FFHCDEZVMQFFAW-IBGZPJMESA-N 419.528 1.754 30 10 HDEE CCn1c(S)nnc1CCNC(=O)COc1ccc(C#N)c(Br)c1 1633596290 ZHMIAIWWEKCDJY-UHFFFAOYSA-N 410.297 1.959 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NCc1ccc(N2CCCS2(=O)=O)c(F)c1 1634525153 NPPKPXGJNMLZIK-INIZCTEOSA-N 409.483 1.737 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc(S(C)(=O)=O)c(Cl)cc1Cl)C(=O)OC 1635158920 OEXDTDOQYFKNPI-GFCCVEGCSA-N 410.275 1.871 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1636270309 CROGEODPSQYQGS-PTZVLDCSSA-N 420.473 1.267 30 10 HDEE C#C[C@@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1CC 1636622619 LALUPCGPEMVGQE-HNNXBMFYSA-N 420.535 1.130 30 10 HDEE C#CCN(C(=O)CCCn1c(O)nnc1O)C1CCN(C(=O)OC(C)(C)C)CC1 1638330939 GIBVKEIYIQKKTB-UHFFFAOYSA-N 407.471 1.331 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)c2cc(O)nc(C3CC3)n2)c(=O)c1C#N 1638643767 DOEKDIRZTMVYOB-UHFFFAOYSA-N 404.224 1.856 30 10 HDEE CC(C)(C)OC(=O)CC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCC1 1639751362 JHQZTCDCWFZOEF-UHFFFAOYSA-N 421.519 1.886 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CC(=O)OC(C)(C)C)C1CCC1 1640473363 CBYUGICIHNPTRF-AWEZNQCLSA-N 421.519 1.948 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](Nc1cc(F)c(C#N)cc1[N+](=O)[O-])CCS2(=O)=O 1640506108 IBVVTTZMDDSTEK-JKGQDXBKSA-N 411.411 1.916 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)CCC1CCCC1)C2 1650671951 BNTDJVTZIYGWMM-WOJBJXKFSA-N 410.518 1.862 30 10 HDEE N#Cc1ccnc(N2CCC([C@@H]3OCC[C@H]3NC(=O)C(F)(F)F)CC2)c1[N+](=O)[O-] 1651849230 VFJHRQNBXGGBJH-OCCSQVGLSA-N 413.356 1.914 30 10 HDEE C#CCCOc1ccc(C(=O)N[C@H]2CCS(=O)(=O)C3(CC(C(N)=O)C3)C2)cc1 1653200316 NGWBHLAOISCOKL-NGEICVOHSA-N 404.488 1.030 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1 1665570264 JQEXJOHYGPHLQI-UHFFFAOYSA-N 402.563 1.456 30 10 HDEE C=CC[C@H](CO)CNC(=O)Nc1ccc2c(c1)C(F)(F)C(=O)N2CC(=O)OCC 1670277515 GCCFDHHGBJYJNZ-LBPRGKRZSA-N 411.405 1.994 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(NC(=O)CCN2C(=O)CNC2=O)cc1 1676181392 VTXQARGKQUUQPR-UHFFFAOYSA-N 415.450 1.071 30 10 HDEE C#CC1(O)CN(C(=O)Nc2ccc(OCCN3C(=O)c4ccccc4C3=O)cc2)C1 1676481421 FQJOUXXNJUDMEO-UHFFFAOYSA-N 405.410 1.573 30 10 HDEE COC(OC)[C@@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1683594153 IHKYEJJPKPOIHU-GFCCVEGCSA-N 404.446 1.704 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2ccc(CN3CCNC3=O)cc2)n1 1684600508 KZDQPEMVBWMZNK-UHFFFAOYSA-N 424.505 1.400 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@@H]1CCN(Cc2ccccc2)C1 1685901530 SWPULRIWZAWYLP-NVXWUHKLSA-N 422.489 1.297 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1Cc2cc(Br)cnc2NC1=O 1686315564 RQCWPMAUNWWPDI-SWHYSGLUSA-N 409.284 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(C(=O)NCC)cc1 1689860537 CASCMYJXMYNOPN-MRXNPFEDSA-N 408.506 1.656 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1689998470 MWUZPSUWZHHQEZ-UHFFFAOYSA-N 414.473 1.216 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC[C@H]1CCCCO1 1690047757 YEZBWAUXQPHREH-RTBURBONSA-N 418.563 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCC2 1690052460 IVBZOAAFTOGCSI-UHFFFAOYSA-N 403.494 1.189 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC[C@@H]1OC 1690066822 NRSSAMISZPFDOD-HKUYNNGSSA-N 422.493 1.432 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1690309909 NOSYQUUJZADIMQ-KRWDZBQOSA-N 423.477 1.357 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1690418983 DBRZQPIESMYXSO-UHFFFAOYSA-N 406.531 1.314 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1690724271 LIBYPXUXVAQXJU-SQNIBIBYSA-N 424.567 1.778 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694300894 ZVEMZHNTXQSXIZ-VLGSPTGOSA-N 415.498 1.322 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2Cc2c(C)noc2C)CCOC1 1696084558 BWXVIDAKXQNPFL-BEFAXECRSA-N 402.455 1.312 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1696913668 HXIZLJJETYYKEY-AWEZNQCLSA-N 400.483 1.318 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C[C@H]1C 1698084814 AMWPERQCELKWPA-VQIMIIECSA-N 423.521 1.252 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1CCS(=O)(=O)CC1 1705475928 WYUADYKUBYSEGE-AWEZNQCLSA-N 416.507 1.208 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C 1705590852 YBNFSASVKGXZHE-UGKGYDQZSA-N 415.538 1.114 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1705598883 SALSVWSCPFYRDF-MRXNPFEDSA-N 413.503 1.095 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)CCN1CCOCC1 1705695751 YXCVSDWSBNMOSK-QZTJIDSGSA-N 420.558 1.166 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1705731552 WUUKNOSQQZOXNC-UHFFFAOYSA-N 418.542 1.120 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)[C@@H]1C 1705739633 MFDXNUSCWRGDTO-KRWDZBQOSA-N 401.515 1.399 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@]2(O)CCOC2)CC1 1705764620 GGZHXPYJDYPGFE-FQEVSTJZSA-N 418.519 1.656 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1NC(=O)CC1(C)C 1709142234 UYCIJMKSLPVZPZ-GOEBONIOSA-N 423.525 1.132 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)COC)CC1 1710337640 IBQAZWLUPVOHLF-MRXNPFEDSA-N 411.510 1.951 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CC1 1722316332 HHKDGHKDKAFCON-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1722343342 GPWFMVVFJIOLPP-GHTZIAJQSA-N 404.559 1.026 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722369121 YSKAMVJZSARCSX-FUHWJXTLSA-N 415.519 1.046 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCC(=O)N1CCOCC1 1722472931 XDULZODVXSDPTG-JOCHJYFZSA-N 408.506 1.505 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722527242 CQKNWRORMMBNIV-DLBZAZTESA-N 416.526 1.164 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)(C)C 1722640698 RFDSGYMVIKNRCC-AWEZNQCLSA-N 401.533 1.048 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C(=O)NC(C)C)n1Cc1ncn(C)n1 1722654759 VAWNJOUHCBMWOW-UHFFFAOYSA-N 419.493 1.657 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cc(Br)cn1C 1722704635 WBBQQPUSXWWEDB-UHFFFAOYSA-N 419.287 1.825 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1723691965 NBPTZLWGYPQKMV-NQIIRXRSSA-N 419.526 1.864 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCCC1 1723866352 BNCBYGDQCSLQBM-CVEARBPZSA-N 423.587 1.360 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCC(=O)N2CCCCC2)n1 1724504063 GFPBHFKSGAKPPN-KRWDZBQOSA-N 409.494 1.780 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1740536296 CVEJWAGRAUWENU-PXAZEXFGSA-N 407.316 1.560 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H](OC)C(C)C)CC1 1740688767 JBTGNIDQJSUWGY-GOSISDBHSA-N 404.559 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCC2)CC1 1740703350 PBGZLXYCDNIIHY-UHFFFAOYSA-N 423.517 1.835 30 10 HDEE C#CCSCCn1c(CCOc2ccccc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1740719975 NWVMZUAWBHOJGN-KRWDZBQOSA-N 413.547 1.933 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1740753815 OMJKKSRCKDSPEM-UYAOXDASSA-N 404.559 1.558 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1740786857 QQHSLDVXGYRFIW-UTKZUKDTSA-N 421.542 1.783 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1740867363 GWPLAMRSXAEPLE-SFHVURJKSA-N 403.575 1.599 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1740888231 GWPBPLFSHDAUHI-KRWDZBQOSA-N 411.572 1.999 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C2CC2)C1 1740985723 KTTOAWMEQVBYSD-MRXNPFEDSA-N 407.540 1.351 30 10 HDEE CCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1 1745417798 ORALDGMYZZXZHO-INIZCTEOSA-N 422.511 1.360 30 10 HDEE CN(C[C@H]1CCCOC1)c1nnc(-c2cccc(C#N)c2)n1CCNS(C)(=O)=O 1747852370 GIPWYUYMZVZQBL-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(=O)(=O)CC 1749126307 AUNMPSIAQYJMGX-DOTOQJQBSA-N 420.539 1.587 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCCS(C)(=O)=O 1749127542 NBJXBRYJQFGYPX-WBVHZDCISA-N 422.555 1.531 30 10 HDEE C[C@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)NC(=O)OC(C)(C)C 1750347901 MWPHXHWZKCPGNK-KGLIPLIRSA-N 414.470 1.377 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCOCC(F)F 1751930406 OVLPZYDJNVFBFJ-ZDUSSCGKSA-N 406.441 1.635 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C[C@@H](C)O1 1752389352 WQCRTULUZZTARP-HUUCEWRRSA-N 408.466 1.519 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccnn2C)CC1 1759988518 MBIXBBWSIRWEKK-UOICAXPBSA-N 422.529 1.400 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNS(=O)(=O)c1ccccc1 1760110721 RSCCMIWPLIKDGR-HNNXBMFYSA-N 413.507 1.115 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)N(C)C 1760112936 NXOFEMIZKBPJMH-JKSUJKDBSA-N 418.542 1.939 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1(C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1760187121 HXNVTSLFPGCGSS-IRXDYDNUSA-N 406.552 1.845 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(CC)s1 1760205859 LMRTVVOROVPXPM-OAHLLOKOSA-N 402.545 1.925 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CNC(=O)c2cccs2)n1C[C@@H](COC)OC 1760298389 GHUCBILYTFRASE-MGPUTAFESA-N 417.535 1.923 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1C[C@H](C)O[C@@H](COC)C1 1760305427 FWIHGWKXFBWOBV-QWHCGFSZSA-N 409.288 1.884 30 10 HDEE C=C(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(=O)COC)CC1 1760349900 HEAZJVOSXDGVRJ-UHFFFAOYSA-N 409.494 1.388 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760354541 FNSUQTAEFQABMR-FQEVSTJZSA-N 400.483 1.907 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760358444 WAAMWZGJHVANTQ-GVDBMIGSSA-N 408.499 1.125 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760452311 KTCQAAYXPOLVPW-GOSISDBHSA-N 419.551 1.870 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](Cc2ccccc2)C1 1760521588 XYRJJBAJZHATLQ-QZTJIDSGSA-N 408.506 1.600 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1760527250 PXRIOEGPMBFQKL-DLBZAZTESA-N 400.527 1.370 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2([S@@](C)=O)CC2)C1 1760539266 ZMRLWPDXNAOPKW-FLMDJSIISA-N 424.567 1.623 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(C(N)=O)CC1 1760569015 AEVDWOVXMFDIRQ-UHFFFAOYSA-N 403.556 1.761 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1767243149 REPHOMLNGBZJEE-MRXNPFEDSA-N 418.523 1.229 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@](C)(C#N)C1 1768290925 LUURXSZSHXSWFB-QAPCUYQASA-N 410.544 1.589 30 10 HDEE CN(C)CCN1CCC(Cn2c(-c3ccccc3)nnc2N2CCO[C@@H](C#N)C2)CC1 1768513854 CQEAWAFMWPAXTA-NRFANRHFSA-N 423.565 1.947 30 10 HDEE C[C@@H](CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)/N=C1/NS(=O)(=O)c2ccccc21 1772833852 XSSVDSZIGMLWQJ-HNSVSWJLSA-N 404.536 1.635 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCC(C(=O)N4CCC(C#N)CC4)CC3)cc2n1C 1849058578 UKKWJXHCKYPYKO-UHFFFAOYSA-N 409.490 1.491 30 10 HDEE N#CCC(=O)N1CC[C@@H](N2CCN(c3ccc(-c4ccccc4Cl)nn3)CC2)C1=O 1853675370 DQCZCPZGAGGKRX-GOSISDBHSA-N 424.892 1.960 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(C[C@@H]4CCCO4)C3)CC2=O)cc1 1854186393 ODMFJQJACLSEKG-SFTDATJTSA-N 410.518 1.415 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(=O)c3ccccc3o2)C1=O)[C@@H]1CCN(C)C1=O 1854225721 GSWDCVURFMUMLK-CVEARBPZSA-N 409.442 1.253 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@H]2CCOC2)CCN1S(=O)(=O)c1ccccc1C#N 1854459432 BNGNFRBPPUMUPE-CQSZACIVSA-N 405.476 1.123 30 10 HDEE C[C@H]1CCN(C)c2c(C(=O)N3CCN(S(=O)(=O)CC#N)[C@H](C)C3=O)cccc21 1854607638 IMUNUQVDYNSZBP-UONOGXRCSA-N 404.492 1.156 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3ccncn3)C2=O)CC1 1854801799 AZZBTZVAXAODTO-GOSISDBHSA-N 405.462 1.087 30 10 HDEE COc1ccc(SCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855073517 BOAZAIFEQGOEKY-INIZCTEOSA-N 402.520 1.446 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C(=O)C2)C1 1856857882 NPPAJYUHCHUJBX-RBUKOAKNSA-N 414.506 1.184 30 10 HDEE COc1ccc(C(=O)N2CCN([C@@H]3CCN(CCCC#N)C3)CC2=O)c(OC)c1 1857153279 HTHQYLBVDMPOFH-MRXNPFEDSA-N 400.479 1.366 30 10 HDEE CC1(C)C(=O)N(C(=O)CCCn2ncccc2=O)CCN1Cc1ccc(C#N)cc1 1857162405 NFDVCHXRVDAPSP-UHFFFAOYSA-N 407.474 1.545 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N[C@@H]1CCN(S(=O)(=O)Cc2ccc(F)cc2)C1 1858325688 NBIOVVSQDKDEQU-QGZVFWFLSA-N 423.491 1.580 30 10 HDEE CCc1ccccc1-n1nnc(C#N)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870144203 RUKZMIPSZPEVRC-UHFFFAOYSA-N 400.398 1.936 30 10 HDEE C=CCN=c1nc(N2CCN(CCO)CC2)[nH]c(=Nc2ccc(C)c(Cl)c2)[nH]1 1871488442 WTMGSFRCTWGFCQ-UHFFFAOYSA-N 403.918 1.133 30 10 HDEE C=CCN(CC=C)C(=O)Cc1nonc1OCC(=O)Nc1ccc2c(c1)OCO2 1872638678 MVASVRTYULNVFC-UHFFFAOYSA-N 400.391 1.559 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1COCCN(C(=O)OC(C)(C)C)C1 1982283945 UWKOFKVOWSRVHJ-GFCCVEGCSA-N 413.334 1.698 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2082044552 RRVZRAGCNLOHJK-HXUWFJFHSA-N 408.520 1.947 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CC[C@H](C#N)C1)CC(F)(F)F 2118166962 MMWAVEXOPWDYPE-GHMZBOCLSA-N 400.423 1.512 30 10 HDEE N#Cc1cc(Br)cc(N2C[C@@H](NC(=O)C(F)(F)F)C[C@@H](C(N)=O)C2)c1 2118194538 MNHJNKXBGQFTPR-KOLCDFICSA-N 419.201 1.679 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)c(Br)c1 2118195216 SYXHHILEEXKUAV-VHSXEESVSA-N 419.201 1.679 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)NC2CC3(C2)C[C@@H]3NC(=O)OCc2ccccc2)C1 2142142050 BMTHGAFJKDKPPW-BHASAWDCSA-N 418.519 1.904 30 10 HDEE C#CCN(C(=O)[C@H](CSC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180119138 FPBRLYHNOBWOSV-GJZGRUSLSA-N 418.581 1.670 30 10 HDEE CCCN[C@H](C#CCOC)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2235922058 DERGTHMFWUTAGU-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNC(=O)c1occc1B1OC(C)(C)C(C)(C)O1 2243389228 RTWHRGYGQLHUEV-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE CCn1cc(C(=O)N(C)CCNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247845230 NVMAGFIITVXVOK-UHFFFAOYSA-N 422.335 1.799 30 10 HDEE C[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247913666 ZEAHVEIKDXWFEX-INIZCTEOSA-N 412.343 1.970 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N[C@@H](COCc3ccccc3)C(=O)O)c2)OC1(C)C 2248588028 YBJPVZRBHHVBOO-KRWDZBQOSA-N 414.267 1.714 30 10 HDEE CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)OC 2282323170 WTSVHGDHDGWCIQ-LLVKDONJSA-N 403.331 1.586 30 10 HDEE CCN1CCC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282329656 PPWQMUJCBJIYHQ-CQSZACIVSA-N 400.375 1.810 30 10 HDEE CCC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCNCC1 2282335647 SERYCRXLDITISO-UHFFFAOYSA-N 400.375 1.858 30 10 HDEE CC1(C)C[C@H](N)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491183 MNWSUEGYQKACFA-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@H]3C[C@@H](CN)C3)ccc2Cl)OC1(C)C 2282491296 KLCNTPGRCUWXQE-TXEJJXNPSA-N 400.737 1.655 30 10 HDEE C[C@@H]1CC[C@@](O)(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282491914 MSGQDAIEYYITFS-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE C=C(CS(=O)(=O)N[C@H]1CCC[C@H](S(C)(=O)=O)C1)B1OC(C)(C)C(C)(C)O1 2282494654 AQGKYGWJZKQMKK-KBPBESRZSA-N 407.363 1.449 30 10 HDEE Cc1nsc(CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)n1 2282506754 WZIWYCLJVOTHAZ-UHFFFAOYSA-N 415.371 1.827 30 10 HDEE Cc1csc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282563435 FODCELQDYNDJHX-GFCCVEGCSA-N 401.359 1.861 30 10 HDEE CN([C@H](CCO)C(F)F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282849690 FQZLLKNSIRTHBR-LLVKDONJSA-N 411.301 1.684 30 10 HDEE CSC[C@H]1C[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)C1 2282850260 MUMUSOFBDSCYSN-TXEJJXNPSA-N 401.363 1.139 30 10 HDEE C[C@H]1C[C@@H](CN)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850924 VEHRDKMMJWCHBV-STQMWFEESA-N 400.375 1.795 30 10 HDEE CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2282868493 OAKCKQZRYBVLKZ-JSGCOSHPSA-N 401.359 1.377 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2C[C@@](C)(O)CO2)OC1(C)C 2282873156 HFHXTHSTXYSDHT-MRXNPFEDSA-N 403.693 1.326 30 10 HDEE C[C@@H]1C[C@@H](CO)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282877879 YGKHDEXYNLGEAJ-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE CSC[C@H](NS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284401180 FKGMEHJDPAXYNY-LBPRGKRZSA-N 401.315 1.080 30 10 HDEE CCN(CCC(=O)O)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284405411 KJMJRMURTYVYJP-UHFFFAOYSA-N 403.331 1.674 30 10 HDEE COC[C@@H](ONC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284457804 MFEBWIIGJBHNJL-SECBINFHSA-N 405.665 1.462 30 10 HDEE CN1C(=O)C(=CNc2c(Cl)cccc2Cl)C(=O)c2c1n(C)c(=O)n(C)c2=O 2297563813 GFIPUCBTGVMASL-UHFFFAOYSA-N 409.229 1.546 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336220460 QKMRDAPEOGHSDT-GJZGRUSLSA-N 402.582 1.898 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](CNC(=O)OC(C)(C)C)OC 2367787635 LTRIHCGEPDMSDJ-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367793735 DMTLMCGJGRNAAR-ARFHVFGLSA-N 400.541 1.475 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(NC(=O)OC(C)(C)C)COC1 2367798326 ZGTVNGDMGOUERB-HNNXBMFYSA-N 400.541 1.619 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)C[C@H]1C 2367834030 OGPZGSZATUEWPL-SPYBWZPUSA-N 400.541 1.163 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2oc(C)c(C)c2C#N)cc1 11469083 JTTPOYSJMZLKQV-UHFFFAOYSA-N 419.459 1.927 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC[C@H](Oc4nccnc4C#N)C3)CC2=O)c1 219944647 MDXWPVOBOJDZNC-PBHICJAKSA-N 407.430 1.390 30 10 HDEE C=CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)c1nc(C(=O)OCC)cs1 409817384 ROVXNDFKDSKHKS-UHFFFAOYSA-N 401.510 1.510 30 10 HDEE N#Cc1ncccc1S(=O)(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 428261750 RCBFYHRZTHEBHO-UHFFFAOYSA-N 420.878 1.519 30 10 HDEE Cn1cc([C@@H](NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C(F)(F)F)cn1 446475004 JKEQCVFOSMDTAD-JKSUJKDBSA-N 420.395 1.995 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F 446923060 QLAKNFHOQRLSKH-YGRLFVJLSA-N 415.397 1.378 30 10 HDEE CCOCc1nc([C@H](C)NC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)no1 462304060 UZZVNMJAQCQQIW-OLZOCXBDSA-N 400.443 1.249 30 10 HDEE CCOC(=O)c1cnc(N2CCN(S(=O)(=O)Cc3cccc(C#N)c3)CC2)s1 462584773 NVJUSCKKPQHCCN-UHFFFAOYSA-N 420.516 1.843 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 473871312 FXPBMWAQYSEAIQ-UHFFFAOYSA-N 407.414 1.244 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)CSCC(=O)Nc1ccc(F)cc1 478654698 VYQXGDQVIUXWSB-UHFFFAOYSA-N 408.499 1.572 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 478742309 CSHMEGHUVXBYNK-MSOLQXFVSA-N 424.522 1.588 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 488620509 XQPNDGLMVZPSNZ-OAHLLOKOSA-N 407.492 1.682 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(CSc3nccn3C)c2)CC1 501665031 NRIZLUPYBBNESU-UHFFFAOYSA-N 413.547 1.772 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NCCC(=O)N3CCN(c4ncccn4)CC3)CC2)c1 509193927 GFLZKSVVCYVZFC-UHFFFAOYSA-N 422.464 1.374 30 10 HDEE CN(C)S(=O)(=O)[C@@H]1CCCN(CC(=O)N(CCC#N)c2cccc(Cl)c2)C1 511060461 SPPPYKCGGMJLRU-QGZVFWFLSA-N 412.943 1.942 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCN(C(=O)C3CCCCC3)CC2)CC1 512476133 XSNUVHMXFUAXTC-HXUWFJFHSA-N 403.571 1.403 30 10 HDEE C=CCOc1cccnc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 537096064 FPDAXJKARGOOOH-UHFFFAOYSA-N 416.503 1.835 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCc1ccc(-c2ccccc2C#N)cc1 540198258 HCBIKQWSCDXHMO-HNNXBMFYSA-N 423.498 1.942 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 545895942 OHZVZHGRIMKKPW-WBAXXEDZSA-N 408.510 1.882 30 10 HDEE C(#CCN[C@@H]1CCCC[C@H]1N1CCOCC1)CN[C@@H]1CCCC[C@@H]1N1CCOCC1 551449230 UBOQNNWPCSZDIB-YCAMKHIRSA-N 418.626 1.456 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N1CCC(C#N)CC1 554861890 XEHRPWJETDZVNP-UHFFFAOYSA-N 420.535 1.397 30 10 HDEE C=C(C)Cn1c(-c2ccoc2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 555285693 LACSBBZVVMZLGT-UHFFFAOYSA-N 400.483 1.095 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 557276440 CZAXWHXYKKSKDK-DOMZBBRYSA-N 415.475 1.502 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2ccc(O)cc2C1 573606587 DQKLGNHRIRCYAQ-QGZVFWFLSA-N 419.507 1.065 30 10 HDEE Cc1nn(-c2ccc(NCCNS(=O)(=O)c3ccccc3C#N)nn2)c(C)c1C 585457452 QUJJDRXGDUFCLZ-UHFFFAOYSA-N 411.491 1.850 30 10 HDEE COc1c(NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc(Cl)cc1C(N)=O 585758077 GCURPUMQNBGBBD-UHFFFAOYSA-N 404.785 1.713 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)NCCCN2CCCS2(=O)=O)o1 608778424 BLCPEDIQFCMQLX-UHFFFAOYSA-N 403.460 1.886 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)Nc2ncccc2OCCCC#N)C1=O 615555380 CIFGSMXVEILQGM-ORAYPTAESA-N 400.439 1.606 30 10 HDEE Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)N1CCN(c2ncccc2C#N)CC1 619510094 NTADWHNWLZVGJY-SFHVURJKSA-N 420.517 1.836 30 10 HDEE C#CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2c(C)nn(-c3ccccc3)c2C)CC1 728570448 CRSXYAAUZXXWCI-IBGZPJMESA-N 422.533 1.183 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cnn3ccccc23)c1=O 729668603 ALNIZMSGMRPFRW-UHFFFAOYSA-N 422.510 1.466 30 10 HDEE C=C(Br)CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 731619955 ZVNMTWBBLLTORT-UPJWGTAASA-N 407.330 1.121 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CCCCC#N 731672449 ZZBFTTHSRCHXCU-UHFFFAOYSA-N 402.517 1.021 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCN1C1CC1 732698647 CQOTVOCVKWLKHO-IBGZPJMESA-N 423.521 1.344 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CNC(=O)c2ccccn2)nc1C 739722793 YARWHGIERIXVOH-UHFFFAOYSA-N 415.504 1.948 30 10 HDEE Cn1cc(/C=C/C(=O)N[C@H](C#N)c2cccc(Br)c2)c(=O)n(C)c1=O 749374628 XWNJKKNITLAQCE-PSKZRQQASA-N 403.236 1.241 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)N(CCC#N)CCN3CCOCC3)c(=O)[nH]c21 749380396 VYMNOSKSLZQIIR-PLNGDYQASA-N 412.494 1.393 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 754380273 PZZWOSOVVXXQLV-NSHDSACASA-N 414.509 1.289 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 758771159 ZEMKHRGPGVRCKV-YESZJQIVSA-N 419.526 1.789 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)N2CCN(CCC(=O)N(C)C)CC2)c1 761683667 KVFWRHHWXDBTTL-SFHVURJKSA-N 401.511 1.673 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1nc2c(OC)cccc2n1C)c1cc[nH]n1 772558200 CORIMSZGOAONHU-UHFFFAOYSA-N 400.395 1.228 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CCS(=O)(=O)C1 774167417 YFXSMWAOCQGELG-AWEZNQCLSA-N 404.410 1.960 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1 780993375 GJZOYOBKRICRQW-GOSISDBHSA-N 401.444 1.720 30 10 HDEE C[C@@H](OC(=O)C1(c2ccc(C#N)cc2)CC1)C(=O)Nc1cccc(S(N)(=O)=O)c1 781395503 YNSZFXZZGUTBSL-CYBMUJFWSA-N 413.455 1.808 30 10 HDEE C[C@@H](OC(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)NC1(C#N)CCC1 787733737 IITSNGDUTNVBSL-ZIAGYGMSSA-N 407.492 1.535 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(N3CCOCC3)ccc2C)CC1 797692415 ABRPUIBNJFPKEU-UHFFFAOYSA-N 401.511 1.283 30 10 HDEE C[C@@H](C(=O)O[C@@H]1CCc2c(OCCCS(C)(=O)=O)cccc21)n1cnc(C#N)n1 798834151 UPFHHCZQZAMVJO-SUMWQHHRSA-N 418.475 1.755 30 10 HDEE CC(C)[C@@]1(C2CC2)NC(=O)N(CN2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 799132279 MJQBAHVWSIKVAO-NRFANRHFSA-N 412.494 1.860 30 10 HDEE C#CCOc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1 802612165 BRCFQYYTMNBODU-QGZVFWFLSA-N 421.453 1.433 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2CC)CC1 811870588 DZBIJXVSEVFPDA-SJORKVTESA-N 408.543 1.468 30 10 HDEE Cn1cc(CC(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)c(Cl)n1 815977850 CMZWALWQOXBVBD-UHFFFAOYSA-N 417.672 1.755 30 10 HDEE CCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)N[C@H]1CCN(O)C1=O 816694560 IQJHILWVFHLMCW-KRWDZBQOSA-N 423.425 1.601 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3c(F)cc(C#N)cc3F)C2)n1 856588719 ZEXOHYKAAMJOCO-QGZVFWFLSA-N 412.418 1.540 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C2)n1 856714239 OZGPBDIQQVCGPA-NRFANRHFSA-N 406.446 1.899 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)c2cc(I)nn2C)c1 1125257333 YWFIELGLWUJHEC-UHFFFAOYSA-N 422.226 1.717 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CC[C@@H](C(F)(F)F)NC2=O)[C@@H](C#N)C1 1137215124 NCICXMUXEDHIAI-TUAOUCFPSA-N 404.389 1.415 30 10 HDEE COc1ccc(C(=O)NCC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1[N+](=O)[O-] 1138309196 MYRVCBIHBVOJCA-OAQYLSRUSA-N 408.414 1.901 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1C(=O)CC1(C#N)CCOCC1 1140177461 KEYBEDQRKFOCOE-OAHLLOKOSA-N 409.483 1.708 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2[C@H](N(C)C)[C@H]2C1 1140718741 HZDSNYDUTRRTFU-UIBIWLFHSA-N 404.536 1.302 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)c1 1141949761 SAFOFAWFTQHKMK-UYAOXDASSA-N 423.444 1.066 30 10 HDEE C#CC[C@@H](NC(=O)[C@H](Cc1cccc(OC)c1)NC(=O)OC(C)(C)C)C(=O)OC 1141998009 FKXNASBTUGWWPK-SJORKVTESA-N 404.463 1.812 30 10 HDEE C#CCCN1CCN(C(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 1142803794 RSIIMBVMZJGPIQ-SFHVURJKSA-N 408.543 1.210 30 10 HDEE Cc1nc(CN2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)no1 1144003560 KDJOMTOHOOVHJC-UHFFFAOYSA-N 417.510 1.673 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1151432174 QFVFJWGGNFXALQ-USXIJHARSA-N 405.476 1.078 30 10 HDEE CCN(CC)S(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1151879379 OVKNHSFUGJOIPR-UHFFFAOYSA-N 400.451 1.381 30 10 HDEE COc1cc(N2C[C@@H](C(=O)NCc3cncc(C#N)c3)CC2=O)cc(OC)c1OC 1156108019 LICXXCLGVZHFSW-HNNXBMFYSA-N 410.430 1.648 30 10 HDEE C#C[C@@H](NC(=O)COCC(=O)NCc1cccnc1)c1ccc(Br)cc1 1159634666 PRDLVEGHCQLBQN-QGZVFWFLSA-N 416.275 1.968 30 10 HDEE N#Cc1ccc(C2(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CCC2)cc1 1163513390 XDZOOUHQWVEDKL-LJQANCHMSA-N 422.460 1.796 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NCC[C@]2(O)CCOC2)CC1 1164580863 LCMFIMLTLQACJI-FQEVSTJZSA-N 400.435 1.680 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(C(C)C)cc2)C1 1167951656 AIUBWGZKLRAREF-KPFFTGBYSA-N 404.532 1.806 30 10 HDEE C#CCN(C(=O)Nc1cccc(N2C(=O)N[C@H](CC)C2=O)c1)[C@H]1CCS(=O)(=O)C1 1218747146 KCWJHYPUIGUXJV-JKSUJKDBSA-N 418.475 1.176 30 10 HDEE CS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(c3ccc(C#N)cc3)CC2)c1 1260602585 ADHCSHPQNLCCIJ-UHFFFAOYSA-N 405.501 1.473 30 10 HDEE C=CCN1CC[C@@H](N2CCC(N(CCC)C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1=O 1265340450 SBLLHTDWFMOLPN-ZPLOVTKXSA-N 401.551 1.900 30 10 HDEE CC(C)C#CC(=O)N1CCOC2(CCC(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1282570572 JCNIHYGCYINILB-GNBHSNQFSA-N 400.519 1.726 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1286294426 AUDSWAGTUSVPAK-HNNXBMFYSA-N 401.898 1.839 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cccc(O)c2)CC1 1286334907 DBTARTHIEMDNRE-UHFFFAOYSA-N 408.506 1.960 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1([S@](C)=O)CC1 1286416085 JNINXQMYKSMIFM-NDEPHWFRSA-N 400.479 1.980 30 10 HDEE C#CCN(CCOC)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCOC1 1286456920 AJAZUAOFIVOXAC-QFIPXVFZSA-N 410.518 1.986 30 10 HDEE C=C(C)COCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1286607151 CATLPXHWYTVVED-LJQANCHMSA-N 418.586 1.812 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286672858 QZNICTRJEVFSLU-MGPUTAFESA-N 421.567 1.641 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)OC1CCCC1 1286787173 QGAWHAJMALAILV-UHFFFAOYSA-N 402.455 1.618 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1286790895 KSLOWOAHTOMNKK-UHFFFAOYSA-N 415.542 1.706 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CC[C@H](N(C)Cc2ccccc2)C1 1286816259 DQOBSARJDUPDFZ-IBGZPJMESA-N 403.552 1.898 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)n(C)c1 1287729497 MWDIGYWRELTDPW-UHFFFAOYSA-N 416.503 1.583 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1291113245 ALKUCWZQPFVCNX-YWZLYKJASA-N 415.519 1.603 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CC1CN(C(=O)OC(C)(C)C)C1 1297308726 DZGMTYUAOLWUJC-OAHLLOKOSA-N 406.487 1.410 30 10 HDEE C[C@H](CC(=O)N1CC(C)(C)[C@H]1c1nccn1C)/N=C1/NS(=O)(=O)c2ccccc21 1298181119 BZUKINBJQJHXOR-CXAGYDPISA-N 415.519 1.847 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H]2CC[C@@]3(CCOC3)O2)c1 1300330534 CDZASWYPTMCEOR-KNQAVFIVSA-N 409.490 1.981 30 10 HDEE C#CCCCn1c(C2CC2)nnc1N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 1300404288 WRLDJQLUZNTAIZ-KRWDZBQOSA-N 409.556 1.446 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)c(=O)nc1O 1300434724 FMSUZHWLDHJPOE-NSHDSACASA-N 408.340 1.383 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1300467701 KGRUGIAOHICFCG-JOCHJYFZSA-N 416.529 1.948 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CCCNS(C)(=O)=O 1300586438 CEMYUPOVOGXDDB-UHFFFAOYSA-N 413.547 1.580 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCCCC1 1300663480 CXOOQOOTAYBATG-ZWKOTPCHSA-N 402.543 1.437 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnccc1OC 1300805447 CYXXXEJWUUCNIB-FOIQADDNSA-N 415.519 1.624 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C(C)C)N2CCOCC2)CC1 1301120234 LHVJYQLFKYHAQE-OALUTQOASA-N 416.570 1.988 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(C(=O)NCCOC)CC1 1301217650 CDTQRTAQTOXLTJ-UHFFFAOYSA-N 401.515 1.624 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1301221637 MLTNWRIGXYULOJ-IBGZPJMESA-N 416.570 1.883 30 10 HDEE C=CCCOCCn1c(N2C[C@@H]3OCO[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1301262079 QOJRROIVCSLMKT-QKLQHJQFSA-N 408.499 1.473 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 1301467150 LRJKHSRRIBRCJK-UHFFFAOYSA-N 408.506 1.857 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1cnn(C)c1C 1301503211 VZPSZJQEMXXCJJ-UHFFFAOYSA-N 411.485 1.989 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@]1(O)CCO[C@@H]1C 1301808241 AFJCXJZHVYPSQQ-AUUYWEPGSA-N 420.539 1.540 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1 1302155287 ZONULXHSWRQILW-HOTGVXAUSA-N 419.503 1.432 30 10 HDEE CC(C)NC(=O)NC1(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CCCCC1 1302291254 GVWDSTWYMJTJQP-UHFFFAOYSA-N 403.487 1.467 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC)c(=O)nc1O 1302940655 NVKBJYFVBCMOJS-GFCCVEGCSA-N 400.863 1.621 30 10 HDEE C#CCN1CCC(NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)CC1 1303792963 RYURFBVWZNNHBH-UHFFFAOYSA-N 417.575 1.584 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)cc1 1304180278 KECUKJFWARXNNZ-UHFFFAOYSA-N 409.508 1.938 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2nn(CC)cc2C(=O)OCC)c1 1304816320 WZQIZXZKBMFBPM-UHFFFAOYSA-N 404.448 1.244 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@H]1CCS(=O)(=O)C1 1304852807 DJYHDNWGDQDQIV-INIZCTEOSA-N 418.498 1.359 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@@H]1CCCCS1(=O)=O 1305720630 GBEGQBUKSLOVMO-HOCLYGCPSA-N 424.571 1.902 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@@H]3COC4(CCOCC4)O3)C2)nc1 1312370008 CHXNVVMDSCNDGU-DLBZAZTESA-N 401.467 1.461 30 10 HDEE N#C[C@@]12CN(C(=O)N[C@@H]3C[C@H]3c3ccc(Br)cc3)C[C@H]1CS(=O)(=O)C2 1312610870 JKIJMIILXYBSGZ-FAYQHZLMSA-N 424.320 1.885 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)CC1 1313430660 BTAXNMMJEPYBJC-UHFFFAOYSA-N 403.426 1.877 30 10 HDEE CN(C)C(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)c1 1314629923 BNIQVHXQAYGFDF-KRWDZBQOSA-N 405.462 1.752 30 10 HDEE COCc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1315859761 CVOSEWGHJLVGGJ-GJZGRUSLSA-N 420.539 1.821 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOc2ncccc2Cl)CCO1 1316540599 MKJHGNXSBGIEKU-UKRRQHHQSA-N 404.858 1.986 30 10 HDEE COc1cc(C#N)cc(Br)c1OCC(=O)N[C@H]1CCS(=O)(=O)C1 1319179493 GLQDENIZKGNSLY-JTQLQIEISA-N 403.254 1.011 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCn2c(CCc3ccccc3)nnc2C1 1332714348 CJBGLWYUZXGRBZ-QURGRASLSA-N 420.473 1.322 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)Nc3[nH]nc(N4CCOCC4)c3C#N)CC(=O)N2C)cc1 1349455493 BLANBZVFGFBQNE-YJBOKZPZSA-N 424.461 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1358888802 SFMSSVJBSCAAAL-DOTOQJQBSA-N 417.535 1.520 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCCS1(=O)=O 1358901039 YLGGGPIKIUTOPW-TWMKSMIVSA-N 410.540 1.427 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1cn[nH]c1)[C@@H]1CCS(=O)(=O)C1 1358959420 INDNOVKUNYJIMK-GOSISDBHSA-N 410.503 1.538 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCN1CCOC[C@H]1C 1358995984 NLSNXAWXOLJUAQ-QGZVFWFLSA-N 412.563 1.817 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)NC[C@H]2C1 1359083306 HBVZDEDOQPPSSH-QWHCGFSZSA-N 411.304 1.642 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1359134951 MMJGOUVJBDUTJI-RDJZCZTQSA-N 416.551 1.941 30 10 HDEE C=C(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)OC)c1ccccc1 1359139175 NHWOQDXFWJLLKL-INIZCTEOSA-N 407.496 1.322 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccoc2)CC1 1359165440 OXDSDSCAPRIDNW-MRXNPFEDSA-N 407.496 1.409 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1359215033 SLECSESMRLLCKZ-DLBZAZTESA-N 415.542 1.778 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@@H](C(=O)NC3CC3)C2)nnc1C(C)(C)C 1359335350 JBUMKZNOQCZKBN-OAHLLOKOSA-N 423.583 1.671 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1359602430 HAQBKHISOWWGSI-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)COCc2ccc(OC)nc2)c1 1434896248 TWARFLKSMHVIIS-UHFFFAOYSA-N 423.469 1.480 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1436660109 UCJYAPDRHSTQIP-TZMCWYRMSA-N 400.294 1.720 30 10 HDEE Cc1nn(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)c1C#N 1437520243 CECCXXXRJDIZTK-UHFFFAOYSA-N 423.882 1.527 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@]2(C(=O)OC)CC[C@@H](C)c3ccccc32)C1=O 1440143683 HDTRHYBEUINQFZ-LRTDBIEQSA-N 413.430 1.045 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)NC[C@H](O)CNC(=O)OC(C)(C)C 1449791264 JBPQZOJTHKEZJN-HNNXBMFYSA-N 407.467 1.728 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CCO)c1ccccc1F 1452181951 CXWDTGLQODPNJS-FZKQIMNGSA-N 405.451 1.604 30 10 HDEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CSC1 1453158079 GCCHQGMUGFBXRC-UHFFFAOYSA-N 424.544 1.484 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](Cc3nc(C)no3)C2)c1 1456495366 OTFJFEVLOQPIJU-HNNXBMFYSA-N 402.476 1.384 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)[C@@H]2C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1=O 1459573669 HMMGGZDERUNDNW-QRVBRYPASA-N 415.490 1.658 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC[C@@H]3CCNC(=O)[C@H]32)CC1 1460697508 ZKVROHYMMXLUEJ-QFUCXCTJSA-N 413.497 1.135 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(OC)ccc2C(=O)OC)c1 1462866311 ABTCSNRDNCALGR-UHFFFAOYSA-N 402.428 1.380 30 10 HDEE C#CCOc1ccccc1CNS(=O)(=O)c1ccc(OCC(=O)NC2CC2)cc1 1463111910 NGUFQNRJWNHISP-UHFFFAOYSA-N 414.483 1.835 30 10 HDEE N#C[C@]12CN(C(=O)c3cc([N+](=O)[O-])cc(C(F)(F)F)c3)C[C@H]1CS(=O)(=O)C2 1463162310 AYIWPSNTEFAVFL-SMDDNHRTSA-N 403.338 1.624 30 10 HDEE C=CCC1(NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CCOCC1 1464031652 CBNMLJRGGREXHJ-GOSISDBHSA-N 423.491 1.153 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1465507037 XNBFUZPQRVHURZ-UONOGXRCSA-N 402.517 1.114 30 10 HDEE C=CCC[C@@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C(=O)OCC 1468124497 DKGXXNXMHBSZIW-GFCCVEGCSA-N 419.297 1.724 30 10 HDEE Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)ccc1OCCN(C)C 1468847495 ARMARDJAFATZCW-UHFFFAOYSA-N 416.503 1.613 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CCNS(=O)(=O)c2cccnc2)C1 1469543333 BGUOPVRMKROZFU-GOSISDBHSA-N 413.503 1.359 30 10 HDEE C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(c2ccc(C#N)cc2)CC1 1472150266 YFEGACUCSDLSMX-QFIPXVFZSA-N 424.501 1.880 30 10 HDEE C#CCN(CC(=O)N[C@@](C)(CO)Cn1cnc2ccccc21)C(=O)OC(C)(C)C 1472347749 FHSPVMQUYAYEJF-OAQYLSRUSA-N 400.479 1.774 30 10 HDEE CN1CCN(C(=O)CN2CCC(N(C)c3cc(C(F)(F)F)cc(C#N)n3)CC2)CC1 1472687825 JLEVZSLSWLZKMC-UHFFFAOYSA-N 424.471 1.647 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1=O 1475242639 VIBQJYFDUHSHQZ-HUUCEWRRSA-N 401.529 1.434 30 10 HDEE CCN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1 1501438139 YCKLVASLOLCXOQ-QGZVFWFLSA-N 424.509 1.201 30 10 HDEE CN(CC1CC1)c1nnc([C@H]2CCCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1503528156 ICPALPVHBNAAJW-GWOGKKTRSA-N 400.483 1.892 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCc1cnn(C)n1 1505059764 SJLUCWKSMJQKIL-VYDXJSESSA-N 402.503 1.359 30 10 HDEE CS(=O)(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1505134937 NFYCZFNGNDPUBI-RDJZCZTQSA-N 417.491 1.141 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](COC)OC 1507521104 KKXFMLBWZYJWSV-HOCLYGCPSA-N 406.508 1.468 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507634570 ZEDOVEMBTDKNDB-XLIONFOSSA-N 406.552 1.723 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O 1507666890 GZOJZDVBACGONO-ROUUACIJSA-N 404.536 1.950 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1 1507702755 NMVLPTNGAYEEKA-DOTOQJQBSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(OC)CCOC2)CC1 1507721210 QKVZSSPVYOQTJP-JOCHJYFZSA-N 406.490 1.377 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccc(OC)c2)CC1 1507739522 QXPPOIIOLLCYQK-IBGZPJMESA-N 423.517 1.805 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1507933651 ABUQZECIPOJSKB-BRWVUGGUSA-N 412.556 1.777 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@H]2C1 1507965980 TWLPHHVZTVXKIJ-MRXNPFEDSA-N 418.523 1.867 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1508090442 NLQOQXTWNUOGAB-RBUKOAKNSA-N 416.570 1.787 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC(F)(F)F 1508130134 UYNRWYQJFIXOAV-UHFFFAOYSA-N 409.434 1.113 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1508132630 XFYPIQCZCCZOQE-JVMRMLDLSA-N 412.494 1.538 30 10 HDEE CC(C)NC(=O)CCn1c(C2CC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1509726204 CIHSBUSMZJSSIQ-OAHLLOKOSA-N 423.525 1.447 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1517433357 APLBEYMGVKUVRW-CQSZACIVSA-N 409.494 1.256 30 10 HDEE COc1cc(OC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)ccc1C#N 1524748572 MEPZHBSXZDWDEX-ZDUSSCGKSA-N 403.435 1.940 30 10 HDEE C#Cc1ccc([C@H](OC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)C(F)(F)F)cc1 1525856741 ZAWFQPQOIRZOST-HNNXBMFYSA-N 413.377 1.959 30 10 HDEE C#CC1CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)CC1 1530079898 PMUMRHPDPAZWFX-UHFFFAOYSA-N 408.520 1.456 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@]1(C#N)CCCOC1 1530676238 VMVQAAMFNJDZNQ-IBGZPJMESA-N 407.492 1.529 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CC(=O)N(c3cnn(C)c3)C2)cc(OC)c1OC 1537837921 HSOMGQZJUUUMHK-HIFRSBDPSA-N 413.434 1.180 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccs1 1538379898 LAXRZTAYZKILCI-AWEZNQCLSA-N 412.533 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccc(C)cc1 1538971058 FJLCEVNBBJOTPH-HOTGVXAUSA-N 405.524 1.734 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@]1(O)CCCC1(C)C)[C@@H]1CCS(=O)(=O)C1 1539215441 CAYPMXMKYYUMJY-UZLBHIALSA-N 406.552 1.723 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCO[C@@H](C)C1 1539423142 SSPRGOURCPFJCE-VJANTYMQSA-N 406.527 1.903 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H]2CCC[C@H](O)C2)CC1 1539463197 XANNHLSKGVDCGT-MUGJNUQGSA-N 417.554 1.308 30 10 HDEE CC(C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1541364475 LESNMGXANKGBJY-MXLIYFDZSA-N 424.509 1.104 30 10 HDEE C[C@H]1CN2CCC[C@H]2CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1545104485 RJUPUUOBQBNFRU-PXNSSMCTSA-N 410.522 1.889 30 10 HDEE CC[C@H](C)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN/C(O)=C1\N=CC=CC1=O 1545628374 KZVIQZHBHFAMDR-JOUJLLDFSA-N 415.498 1.238 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1555636384 JLBXRAUCMANXNN-VQIMIIECSA-N 422.505 1.309 30 10 HDEE CN(C(=O)c1ccco1)c1ccccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1558643385 UVFLDTMALDUNHK-VBKZILBWSA-N 413.455 1.567 30 10 HDEE CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCN(c2c(C#N)c(C)nn2C)CC1 1559758290 ACBXHYTULMDGGH-LAUBAEHRSA-N 403.527 1.597 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2cccc(S(N)(=O)=O)c2)CC1 1560690735 DRFRFEFRVMUPSC-UHFFFAOYSA-N 413.459 1.776 30 10 HDEE C=CC[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1561460766 WYRCUGCYQMSYOB-KGLIPLIRSA-N 406.501 1.050 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCCC(=O)N2 1561718760 QZXKOZCZZRVMLR-LBPRGKRZSA-N 415.309 1.777 30 10 HDEE CCOC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)c(C#N)cn1CC 1584127901 AVRFHUSQANBYDJ-LJQANCHMSA-N 401.423 1.215 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC[C@@H](CNC(=O)[C@H](O)c3ccc(C#N)cc3)O2)C1 1584914974 CHRXVPDRDUILTQ-DLBZAZTESA-N 401.463 1.876 30 10 HDEE CCN(CC)CC(=O)N1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1585380891 GXYRRPNHHMNDIK-KRWDZBQOSA-N 423.558 1.586 30 10 HDEE Cn1nc2cc(Br)ccc2c1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1585660136 FVLHWIAEJGNGEF-MGPLVRAMSA-N 423.292 1.346 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCCS(=O)(=O)CC(F)(F)F 1586835469 HSEZDTAGCMHBTE-NSHDSACASA-N 415.434 1.667 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1587568687 RNWFLWAZCWZTRF-UWJYYQICSA-N 419.526 1.026 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccc(-n2cncn2)c1 1587922012 PNZFXDIDMWTYNM-OAQYLSRUSA-N 407.478 1.629 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCN1CCCS1(=O)=O 1588245661 MXJGJIVXSPZVPR-UHFFFAOYSA-N 403.552 1.509 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2F)nnc1N1CCN(S(C)(=O)=O)CC1 1593721920 GTYXESKVNILGLL-UHFFFAOYSA-N 423.514 1.759 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CC(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1595261361 QIFOJCRLCDJZIE-FQEVSTJZSA-N 422.551 1.854 30 10 HDEE CCS(=O)(=O)N(C)CCCNC(=O)c1cccc(CNc2ncccc2C#N)c1 1595874014 KQMTZZZLAJWHMM-UHFFFAOYSA-N 415.519 1.967 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCN2CCOCC2)CCOC1 1596790542 NMZYFLUJJVEHKC-RXVVDRJESA-N 420.558 1.637 30 10 HDEE CC(=O)c1cc(F)c(O)c(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 1596942087 BYBJDHVHHMVXMZ-JTQLQIEISA-N 405.407 1.911 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)C2)nc1 1596978482 OSVXMLKXQDBPHG-PKOBYXMFSA-N 404.474 1.800 30 10 HDEE COC(=O)[C@H]1CCCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(C#N)o2)C1 1618848796 GAIAHNYLWGAWAX-ZDUSSCGKSA-N 400.439 1.319 30 10 HDEE COC[C@@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@@H](C#N)C1)OC 1619596147 PZRNYANMEMQJBA-JKSUJKDBSA-N 402.411 1.243 30 10 HDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2CC2)c1)C(=O)OC(C)(C)C 1624763618 LUVYVVUWNHVQLT-UHFFFAOYSA-N 407.492 1.936 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2cccc(NC(=O)COC)c2)c1 1629666565 WNJRMABODKDPAC-UHFFFAOYSA-N 414.483 1.999 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)[C@@H](O)c3ccc(C#N)cc3)C2)nn1 1633136913 XPZSEVNQEMGWQH-KRWDZBQOSA-N 412.450 1.291 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1633455985 RYKKCGNPJJPJSH-IAFNSTAXSA-N 408.499 1.959 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1634674639 VJIBNABCRGAMEW-IRXDYDNUSA-N 406.527 1.898 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cnc(N2CCOCC2)s1 1635384048 BEYZECWKBVRPKM-OAHLLOKOSA-N 408.524 1.903 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCc3nc4c([nH]3)CCCC4)C2=O)cc1 1635855108 ZVPUTCJAGLDPEY-QGZVFWFLSA-N 406.446 1.682 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CC(C)(C)C)N(C)C(=O)OC(C)(C)C)CC1 1635993285 LNVXKMUKTLMMBC-KRWDZBQOSA-N 422.570 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)(CC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C1 1637455364 QATHZOYGKCOLLN-OAQYLSRUSA-N 415.494 1.364 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(c3ccc(NS(C)(=O)=O)cc3)CC2)nn1 1637979053 NTHDOEKKZRVNLT-UHFFFAOYSA-N 404.496 1.188 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C[C@H](C)O1 1639756806 VEPUEQXSHNKCSF-ZBEGNZNMSA-N 422.279 1.546 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1639822237 XGOMJZYVZGUKBU-XMDUPGNXSA-N 411.524 1.467 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(F)(F)C[C@@H]2C(=O)OC)s1 1640522625 JRIBEKALIXQGSU-LLVKDONJSA-N 408.448 1.164 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccccc2F)c1 1642691805 XUSFEWVZMOUWSC-FQEVSTJZSA-N 404.463 1.461 30 10 HDEE CSc1nc(O)cc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1643835155 DLHOHPLRQMDEQY-UHFFFAOYSA-N 421.504 1.039 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1CC(=O)Nc1ccc(C#N)cc1 1643858211 VLBNAIBEKLCQJV-HXUWFJFHSA-N 404.467 1.085 30 10 HDEE N#Cc1sccc1N1CCN(CC(=O)NCCOc2ccc3c(c2)OCO3)CC1 1647749488 ZTRYCMSUYUNUOV-UHFFFAOYSA-N 414.487 1.666 30 10 HDEE N#Cc1csc(CNC(=O)c2cc(S(N)(=O)=O)ccc2Br)n1 1647980233 SFVFAFAIKVQXCE-UHFFFAOYSA-N 401.267 1.355 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sc(-c3ccc(C)cc3)nc2C)CC1 1650849162 WKAMEMOKKUBNNG-UHFFFAOYSA-N 418.544 1.652 30 10 HDEE COC[C@@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCO1 1655168665 FXMCCWQFTIDKPY-CHWSQXEVSA-N 407.261 1.932 30 10 HDEE CCN(C[C@@H](C)C#N)C(=O)CN1C[C@@H](C(=O)OC(C)(C)C)C2(CC(C(=O)OC)C2)C1 1660104396 WZKUHCWNRCLULQ-YYOAPQJESA-N 421.538 1.837 30 10 HDEE C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1660446753 FGPOXNUCJCBSAN-DKICVRJWSA-N 401.488 1.822 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C1CCOCC1 1663234806 LUKHRDVGTUPMNB-AWEZNQCLSA-N 416.293 1.942 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2cc(CNC(C)=O)ccc2OC)cc1 1663403139 ARNYKOXJHFLSHA-UHFFFAOYSA-N 402.472 1.822 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(C(=O)OC)c(Br)cc1F)C(=O)OC 1664365710 DVEYNECDTIOPJF-LLVKDONJSA-N 422.228 1.218 30 10 HDEE C[C@H]1CO[C@H](C)CN1CCNS(=O)(=O)c1ccc(Br)c(C#N)c1 1664378472 DCFJEOSZNWYSJS-NWDGAFQWSA-N 402.314 1.708 30 10 HDEE Cn1ncc(I)c1CNS(=O)(=O)c1cccc(C#N)c1 1665692523 LWBAKWROXDDCJI-UHFFFAOYSA-N 402.217 1.375 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 1665812082 ZJAZMNNIJCVNPK-ZDUSSCGKSA-N 416.450 1.144 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC 1667896129 JJYACHGTDKCAGR-KRWDZBQOSA-N 402.495 1.633 30 10 HDEE C=CCN1CCC(NC(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 1668511186 VUIQMHWWZVCWQI-UHFFFAOYSA-N 409.575 1.925 30 10 HDEE C[C@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc(C(F)(F)F)cs1 1680596088 XJWFMANAXAIYIE-MWODSPESSA-N 408.427 1.803 30 10 HDEE COc1cc(CNC(=O)N2CCN(c3nc(N)nc(C4CC4)n3)CC2)ccc1C#N 1682344374 HIZPAOVVRACHMH-UHFFFAOYSA-N 408.466 1.243 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCc3cc(OC)c(OC)c(OC)c3CC2)C1 1685177267 PFEKRCFKUABHFT-QGZVFWFLSA-N 401.507 1.920 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCNc1ccccn1 1689827911 JSXJBTWLTJORJT-CABCVRRESA-N 405.528 1.243 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCO[C@H]1C 1689978294 ROSJWJYBELPMTF-GXYOHSSGSA-N 419.526 1.658 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC)cc1 1690020147 ZPHHSKGGRBXWPD-GOSISDBHSA-N 412.515 1.700 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1cccc(C)c1 1690204306 GGWLHYNKJJBAKR-WZONZLPQSA-N 420.517 1.960 30 10 HDEE C=C(Cl)Cn1c(COc2ccc(OC)cc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1690353961 AEBWLAKOJZXACB-CQSZACIVSA-N 418.885 1.832 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1690673098 OBNBIIGYEGMGAW-IBGZPJMESA-N 423.565 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCOCC1 1690725262 KHFJFHDLBGQDCU-UHFFFAOYSA-N 410.927 1.960 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1690993200 GSULPOLGXLPLSC-VXGBXAGGSA-N 411.919 1.581 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc(C(=O)N(C)C)c1 1696341323 HZCLFFGRVGSTIN-GOSISDBHSA-N 412.494 1.488 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(CC#C)CC1 1705531519 MMKTVDSYNLOXAG-UHFFFAOYSA-N 401.474 1.763 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(Br)n1 1705551127 HEYSIEQUOUCLSJ-LBPRGKRZSA-N 424.324 1.455 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCC(=O)N[C@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1705566852 RDGCXLSANNZYKF-NVXWUHKLSA-N 421.567 1.477 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(C)CN(C)C1=O 1705584884 BWEYQOBPBHANJY-HSZRJFAPSA-N 400.486 1.832 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-c2nc[nH]n2)cc1 1705626078 IJRJBZUUXGIWIE-UHFFFAOYSA-N 417.477 1.598 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1705629146 YHEFCFILEUUZLQ-MSOLQXFVSA-N 414.510 1.269 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCc2n[nH]c(C)n2)CC1 1705636607 QSNPEVJCQVRZLI-UHFFFAOYSA-N 411.901 1.418 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(SC)CC2)CC1 1705647170 BUNPNUQAGRMFJP-OAHLLOKOSA-N 416.551 1.091 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NCC)CC1 1705660152 OFGMIXZZOZOZJU-QGZVFWFLSA-N 420.583 1.144 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1705661813 JOCLVGCRDNJESU-CRAIPNDOSA-N 410.565 1.163 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(N)=O)C1 1705693191 CTGYCGMMSROSNO-HRCADAONSA-N 404.515 1.099 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H](C)CC#N 1705695053 VANDSJHYUJUMCN-JJXSEGSLSA-N 410.544 1.608 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCOCC)CC1 1705699434 GWPOIVZJHDXGIC-AABGKKOBSA-N 419.570 1.922 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](O)CC2(CCCC2)C1 1705903134 QXKKOSVRUWIKJN-IAGOWNOFSA-N 403.527 1.606 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1705930317 KTOLTCGIIBVZCM-HIFRSBDPSA-N 424.527 1.662 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOCC2(CCC2)C1 1705936126 KKZDHGHKGSELLI-MRXNPFEDSA-N 410.540 1.390 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1CCNC(=O)c1cc[nH]n1 1711943487 DKFRDUKFAVOUJA-CQSZACIVSA-N 408.466 1.703 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1712098268 HKDZBHGZXPGWSL-JKIFEVAISA-N 416.482 1.653 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1722296143 NYOKPBPPWKUUHQ-HZPDHXFCSA-N 421.567 1.477 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1cnn(CCOC)c1 1722306634 UKNIUQZCNHKMNM-SZMVWBNQSA-N 402.499 1.351 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1722369801 AISJDZKRPJUELB-MRXNPFEDSA-N 414.510 1.500 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCO[C@H]1C(C)C 1722374415 YYDQETMMCUTNPP-BZSNNMDCSA-N 421.567 1.412 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC(OCC)C1 1722383286 MYZQHGCOAUVORE-LXPRWKDFSA-N 404.536 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(F)cc2)n1CCC(=O)N1CCOCC1 1722384592 XSLDXKDDTSDUBD-UHFFFAOYSA-N 409.465 1.330 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1722624322 ADKSQBNEMAVJLZ-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@@H]1CCCOC1 1722702558 POPOBDQFJKHRIE-SFHVURJKSA-N 424.505 1.894 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN(C(C)=O)C2)C1 1722712004 KNGLEJCQJMHRCX-ROUUACIJSA-N 411.510 1.775 30 10 HDEE C[C@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1726740906 GMYFFWYLPUDTHO-XWTMOSNGSA-N 404.515 1.358 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1CCOCC1 1730871722 WLRIQQLMILUDSY-LPHOPBHVSA-N 418.542 1.605 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H](C)N(C)C 1740684186 KWWKVRSAXMHTDM-OAHLLOKOSA-N 409.494 1.630 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2CCC[C@H]21 1740994293 MLXFXYRETHXARA-JKSUJKDBSA-N 407.540 1.380 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](COC)C1 1741005279 HALXGUKKACUNPA-QGZVFWFLSA-N 406.556 1.911 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@H]1C 1741127701 GYDGUZXMRTZJLT-WIEQDCTASA-N 413.478 1.852 30 10 HDEE CC(C)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1741629775 MLWVHIWFWDJLEU-OAHLLOKOSA-N 418.523 1.224 30 10 HDEE CC[C@@]1(C)CN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1744252526 LKYVGSZLQBUITK-ZWSWSHGQSA-N 400.483 1.687 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1748383907 GARYULYGMOVVME-INIZCTEOSA-N 404.478 1.968 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748809590 OCFRCASMINONAX-FUHWJXTLSA-N 401.536 1.522 30 10 HDEE C#CCSCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1749048303 MLJXJKFJJHFWHG-WOJBJXKFSA-N 421.567 1.259 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)CCCO2)CC1 1749245198 BQKRZBCJXZVQIR-JOCHJYFZSA-N 424.505 1.681 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1749426776 HHOISWOMZKSKDU-OAGGEKHMSA-N 409.556 1.669 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O)C1CC1 1749518081 XJAZBRSYGNWBLY-NVXWUHKLSA-N 409.556 1.751 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1Cc1ccc(C(N)=O)nc1 1749598119 RTIHJAJZZUCCGD-QGZVFWFLSA-N 400.483 1.701 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1749634766 JXJKNTNBIUHSIJ-HNNXBMFYSA-N 415.523 1.173 30 10 HDEE C=CCn1c(N2CCN(Cc3cc(C)on3)CC2)nnc1[C@]1(OCC)CCOC1 1749646316 OHIJXAUSFHULPM-FQEVSTJZSA-N 402.499 1.735 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C(N)=O)nc2)C1 1749708639 KUBVHEVPXZYYJE-SJLPKXTDSA-N 412.494 1.843 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1750535138 MDGRLWIKUUFNIC-HZPDHXFCSA-N 413.434 1.614 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCN(C)C2)CCOC1 1751014794 BTGAAKDYUZYDAO-LEWJYISDSA-N 418.542 1.125 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(OC)cc1)[C@H]1CCS(=O)(=O)C1 1760190421 QNKBLZVYXNMRJW-SFHVURJKSA-N 414.531 1.914 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2CC)n1CC(=O)N1CCOCC1 1760210675 SKMAKWIKVNBRFM-UHFFFAOYSA-N 421.501 1.351 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1760231165 VATCVAPMOSELMJ-OAHLLOKOSA-N 405.499 1.968 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CC1CCN(CCN(C)C)CC1 1760238154 KSMRUEAFHNGDSG-UHFFFAOYSA-N 415.586 1.134 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CCOCC2)CC1 1760391783 QUNOLVXMLAAOOW-UHFFFAOYSA-N 417.535 1.968 30 10 HDEE C=CC[C@H](Cn1c(C(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1760416518 GGSBLHIHVIQVLK-RTBURBONSA-N 422.533 1.908 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CCOCC1 1760461470 VGCMDDLSTZDWKJ-UHFFFAOYSA-N 420.539 1.402 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@H]1C 1760526068 CILDCZBIFMGMRW-OAHLLOKOSA-N 412.519 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1760549084 WGNUJNXJXHUIFN-UZLBHIALSA-N 421.567 1.884 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1768456608 WRIAGMORBVHDKG-UHFFFAOYSA-N 417.477 1.022 30 10 HDEE CN(C)C1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCOCC1 1768486750 FVTWNRUCFICIJK-SFHVURJKSA-N 402.478 1.231 30 10 HDEE CN(CCC(F)F)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)N(C)C 1768835406 XBUPCPQAMXAZTI-UHFFFAOYSA-N 412.466 1.800 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@H]1C 1769676040 CFZJASALIAYVSY-MRXNPFEDSA-N 412.494 1.822 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2)cc1 1851141116 BWBAJLJDFVSXDF-LJQANCHMSA-N 411.531 1.847 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OCc2nnnn2-c2ccccc2)cc1 1851228344 CBZPEUBOOMJAGP-OAQYLSRUSA-N 420.473 1.830 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CC2)n1 1851297162 UQOCFFTXSCFKTH-ZDUSSCGKSA-N 412.400 1.328 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](N(Cc1cn(Cc3ccccc3)nn1)C(=O)CC#N)CC2 1853472896 ZEFFPZYDESDSOY-LJQANCHMSA-N 417.473 1.220 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)c3sc(-c4ncccn4)nc3C)C(=O)C2)C1 1853696221 TYAPSVARNLKQTK-OAHLLOKOSA-N 412.519 1.453 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2=O)cc1 1854025233 HRPHYCUAIXGUDX-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2cccc(OC)c2)C1=O 1854101979 ZZCQFUBNUORBJK-UXHICEINSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1=O 1854330829 QHNBNOVIFRJECN-OALUTQOASA-N 410.474 1.636 30 10 HDEE C=C[C@H]1CCCCN1[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1=O 1854547206 RKQWMDGCEKRTIR-FUHWJXTLSA-N 409.552 1.359 30 10 HDEE N#Cc1cc(C(=O)N2C[C@H](CN3CCCN([C@H]4CCOC4)CC3)CCC2=O)ccn1 1855321135 KWISQNUMUPWEOP-PXNSSMCTSA-N 411.506 1.129 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc3ccccn3n2)CCN1CCOc1ccc(C#N)cc1 1855924699 WRDMIUYHHXBNAF-INIZCTEOSA-N 403.442 1.958 30 10 HDEE CCS(=O)(=O)C1CN(C[C@@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1856145311 VKLADIALENDLKB-SFHVURJKSA-N 417.531 1.375 30 10 HDEE C=CCCN1c2ccccc2N(C(=O)CN(CCOC)S(C)(=O)=O)C(=O)C[C@H]1C 1856244889 UWORMYVSFBIBGP-MRXNPFEDSA-N 423.535 1.629 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@H]2CC(=O)N(C(=O)[C@@H]3Cc4ccccc43)C2)C1 1856379279 SGANTULBROTTCG-DNVCBOLYSA-N 402.454 1.731 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN([C@@H]3CCN(C)C3=O)c3ccccc32)CC1=O 1856420644 AUXRUKGMUXKCIG-CRAIPNDOSA-N 410.474 1.022 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)c3ncccn3)C(=O)C23CCCC3)cc1 1856580416 BGYBKBFANSYOBB-UHFFFAOYSA-N 403.442 1.828 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c3c(nn2CC)CCC3)C1=O 1856742142 XHCOUJXODHNYBW-MSOLQXFVSA-N 413.522 1.242 30 10 HDEE C=CCOc1cn(CCOCCO)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870387246 VVCSQZSDKXOPPC-UHFFFAOYSA-N 413.518 1.744 30 10 HDEE C=CCN=c1nc(N2CCC3(CC2)OCCO3)[nH]c(=Nc2ccc3c(c2)OCO3)[nH]1 1871535695 MAJFYAXEGNWSCE-UHFFFAOYSA-N 412.450 1.129 30 10 HDEE C=CCn1c(C(=O)N(CCC)CCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873562040 KQUNDNOAJRHAJT-UHFFFAOYSA-N 414.554 1.994 30 10 HDEE CN(Cc1ccccc1)S(=O)(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1958186757 CKZHLHABAMESBL-UHFFFAOYSA-N 404.301 1.565 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 1988011873 CKCJFPIOPGCFSS-QFBILLFUSA-N 417.506 1.741 30 10 HDEE Cc1csc(CNS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c1C#CCO 2039313423 HZXDQHQLMSAGLE-UHFFFAOYSA-N 418.496 1.116 30 10 HDEE C#Cc1ccc(OCCOCCOCCOCCC(=O)ON2C(=O)CCC2=O)cc1 2060424364 QLDRCWCCFDYPTA-UHFFFAOYSA-N 419.430 1.094 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(N)=O)C[C@@H](NC(=O)C(F)(F)F)C2)cc1Br 2118193861 FPKWBODJFIAYCN-VHSXEESVSA-N 419.201 1.679 30 10 HDEE N#Cc1cccc(CS(=O)(=O)Nc2ccc(I)nn2)c1 2173021328 IREOSTJLZXEZBD-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE C[C@@H](NS(=O)(=O)N1CCCCC1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186623323 HMCOKADWLXBRDW-GFCCVEGCSA-N 401.363 1.824 30 10 HDEE CCN(CC)S(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206347099 OLXPBBYSERGRQO-UHFFFAOYSA-N 400.375 1.992 30 10 HDEE C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243394583 JWOQSXTUIWOVCB-LBPRGKRZSA-N 408.308 1.742 30 10 HDEE CC(C)(C)OC(=O)NCCCNC(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243426485 XTABMFPSRGKTIL-UHFFFAOYSA-N 406.292 1.420 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)NCc1ncc(B2OC(C)(C)C(C)(C)O2)s1 2243676579 KYXDWBYFHJDMRE-UHFFFAOYSA-N 421.328 1.587 30 10 HDEE CC1(C)OB(C#CCCNS(=O)(=O)N2CC(OCc3ccccc3)C2)OC1(C)C 2244537129 PXSMNYHHCAJOFA-UHFFFAOYSA-N 420.340 1.747 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CC[C@@H]1NC(=O)OC(C)(C)C 2247907945 LDUONCDZMGUCFY-KBPBESRZSA-N 420.319 1.505 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)n1 2255817018 OKPUUHKOHQRHHZ-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE C#CCCCCCNS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258177752 PJIYMJAHTRAXJX-KRWDZBQOSA-N 410.492 1.567 30 10 HDEE C#C[C@@H](CC(C)C)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258182523 CVPDCTWFACMLNB-IRXDYDNUSA-N 410.492 1.422 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3[C@H]4COC[C@H]43)cc2Cl)OC1(C)C 2267357306 UBBKULMRTPFBLD-GDGBQDQQSA-N 405.734 1.624 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CN)C(F)(F)F)s2)OC1(C)C 2267714212 VQWIWRDDSLACSI-QMMMGPOBSA-N 400.253 1.215 30 10 HDEE C#C[C@H]1CCCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270520370 CEJCTAWUUNRDHB-WMZOPIPTSA-N 422.503 1.520 30 10 HDEE C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282033381 SSDKYQSTAAAVMU-GHMZBOCLSA-N 400.331 1.090 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C(N)=O)C(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282304037 FDFIYBKYXOVLOC-LBPRGKRZSA-N 402.347 1.144 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@H](O)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282315386 NAIITWRNULKPPE-STQMWFEESA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC(F)(CO)CC2)OC1(C)C 2282329796 RHFYHTDSSZQSMP-UHFFFAOYSA-N 405.322 1.532 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@](C)(O)C(F)(F)F)s2)OC1(C)C 2282333395 NWIMOKAQPCSTBP-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE COC(OC)[C@@H](C)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282334110 XJFMTZBUSKVCFH-LLVKDONJSA-N 405.347 1.675 30 10 HDEE C[C@@H]1CC[C@](CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282335012 JKPNHYSBURMUFS-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC(F)(CN)C3)s2)OC1(C)C 2282335571 REALZLFJWSWQKC-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE C[C@@H]1CNCC[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282340416 FTNPKAWSIULANM-JSGCOSHPSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@H](CN)C3)c(Cl)c2)OC1(C)C 2282828026 HSNJSFIAQZRSCO-AULYBMBSSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCNC(=O)C3)cc2Cl)OC1(C)C 2282834321 SHNNBCJMSMMPGY-SECBINFHSA-N 420.749 1.258 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCOC1 2282835599 XDIVHRQLMFRVFD-RYUDHWBXSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3C[C@@H](CO)C3)c(Cl)c2)OC1(C)C 2282844005 WICZUILOMHLFDI-BJHJDKERSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c2)OC1(C)C 2282865666 XERZZNYBMZJOPA-VWLOTQADSA-N 402.347 1.966 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H](C)N1C 2282876267 ARUSZWHXJOVVEF-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE C[C@H](C(=O)O)[C@@H](C)NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284410326 SNRYZLFHBCKKBN-WDEREUQCSA-N 403.331 1.576 30 10 HDEE Cc1c(C=C2SC(=S)N(C)C2=O)c(N2CCN(C)CC2)n(C)c(=O)c1C#N 2314435732 GHVQTFUJLKGXAW-UHFFFAOYSA-N 403.533 1.148 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@@H]1CCN[C@@H](C(=O)C=Cc2ccco2)C1 2328074856 QOUZXDMZGBONBI-RDTXWAMCSA-N 407.426 1.395 30 10 HDEE CCN(CC)C(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(C)ccc1O 2330717973 SIPJOBRMASANQK-UHFFFAOYSA-N 418.523 1.771 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336215931 WYXQFILICITEFP-LSDHHAIUSA-N 402.582 1.801 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H](C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367801662 VCWUYKRDEQXYRV-CVEARBPZSA-N 401.525 1.592 30 10 HDEE Cn1nc(Br)nc1[C@@H](O)[C@@H](N)C#Cc1ccc(Br)cc1 2382104044 LKKBIWOJGHRCCE-QWRGUYRKSA-N 400.074 1.753 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)[C@H](C)n2c(N)nnc2SCC#N)nc1C 32535678 FUBXKLVDNZLWIT-VIFPVBQESA-N 407.481 1.783 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C#N)c(Cl)c1 109010486 PJFPKBBHQYSVHK-UHFFFAOYSA-N 411.892 1.871 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)o2)CC1 428158270 DPFFCOJSALIWBA-UHFFFAOYSA-N 421.431 1.294 30 10 HDEE Cc1cc(N2CCC[C@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)C2)n(C)n1 446928133 DXSCAEZKKYKUQT-SFHVURJKSA-N 408.510 1.496 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 465123776 UNICFPNKZFRGIU-OAHLLOKOSA-N 413.503 1.422 30 10 HDEE CN(c1ccccc1NC(=O)N1CCN(c2ncccc2C#N)CC1)S(C)(=O)=O 467489581 IUEUATXQLSVHPK-UHFFFAOYSA-N 414.491 1.703 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(C)n(CCC#N)n2)C1 504298821 JPLWXWBXTRSGMD-OAHLLOKOSA-N 420.495 1.749 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NC1CCN(CC(=O)NCCC)CC1 505877619 MLWLQIWOERILKU-UHFFFAOYSA-N 400.523 1.851 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCC(C(N)=O)CC3)CC2)cc1 517507230 JFAQURVWXUYCBK-UHFFFAOYSA-N 418.519 1.119 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)COc2ccccc2)cc1 522762347 DDJDIWHAEKIDDZ-GOSISDBHSA-N 424.482 1.593 30 10 HDEE COC(=O)c1ccc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 524328417 YBPQMTVNCGKOCW-GOSISDBHSA-N 420.425 1.866 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2cc(Cl)c(OCC)c(OC)c2)CC1 524517372 CJQYTKVVUSAAIT-UHFFFAOYSA-N 424.929 1.877 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(OCC(=O)NCC)c3)cc2C1=O 530646694 DQCYIMJYMVESHA-UHFFFAOYSA-N 421.453 1.914 30 10 HDEE CCN1CCN(c2ccc(C(=O)Nc3n[nH]c(CCCNC)c3C#N)cc2F)CC1 536300994 FUNQWHQQPDFYAD-UHFFFAOYSA-N 413.501 1.967 30 10 HDEE COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 546186406 ZWEWDFKBWMCRKQ-UHFFFAOYSA-N 400.460 1.392 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[C@@H]1NS(C)(=O)=O 553079539 VCKBPVKWFVSDGZ-SUNYJGFJSA-N 401.529 1.472 30 10 HDEE N#Cc1ncn(CC(=O)N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)n1 553607032 OKCLMUIWONPEES-QFBILLFUSA-N 407.405 1.856 30 10 HDEE CCN1CC[C@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 554016043 QBUHDWSLFBPVNP-YOEHRIQHSA-N 407.400 1.702 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N(CCOC)Cc1ccc2c(c1)OCO2 564375241 BOOATBKGOFPSNL-SFHVURJKSA-N 402.451 1.934 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCN(Cc3ccc(Br)cc3)CC2)n1 570115174 DCLGHVZBMFERJA-UHFFFAOYSA-N 418.299 1.440 30 10 HDEE Cc1c(CS(C)(=O)=O)cccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 609756312 KCPPILXHIYWMJO-UHFFFAOYSA-N 403.435 1.805 30 10 HDEE CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NS(=O)(=O)Cc1cccc(C#N)c1 727634066 PWPUJNPMDOMSOL-QGZVFWFLSA-N 400.460 1.354 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(C)c1 730144015 YQZSWQVMVKLIFF-KRWDZBQOSA-N 406.552 1.949 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC1CCN(CCS(C)(=O)=O)CC1 731650517 QBXZKMOSULZWDI-UHFFFAOYSA-N 404.492 1.489 30 10 HDEE CCN1CCN(C(=O)c2ccc(NC(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)CC1 732699066 VZYPPUPQQZWBAQ-HXUWFJFHSA-N 410.522 1.668 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1Cl 732706408 IPLKWFQVWSYWHB-CQSZACIVSA-N 403.870 1.179 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CCN1C1CC1 743213087 OBYBJTRECWWOND-KRWDZBQOSA-N 403.508 1.579 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCc2n[nH]cc2C1 743908177 AURZKJQKNGTGHK-UHFFFAOYSA-N 401.492 1.594 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1C#N 747494605 BBBBLWXFKHVVIB-UHFFFAOYSA-N 409.446 1.362 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1CCN1CCOCC1 753787881 CNNSITLRALEDGU-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc(S(N)(=O)=O)c2C)C1=O 754445344 OBBUHRSGPFKHRZ-LJQANCHMSA-N 424.523 1.958 30 10 HDEE Cc1ccc(N2C[C@H](C(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)CC2=O)cc1 757061568 WOVNEQGBEJKHJU-DLBZAZTESA-N 404.474 1.747 30 10 HDEE O=C(O)C[C@@H](O)CNC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21 757485946 OAINGEGYRGIECE-OAHLLOKOSA-N 422.437 1.480 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)CC1(C#N)CCCCC1 760405153 KUFXSBFQKSSDNH-OAHLLOKOSA-N 419.569 1.501 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C1CC1 763795755 QTGBBAFYJHWNLL-UHFFFAOYSA-N 413.293 1.427 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C)N(CCS(=O)(=O)CC2CC2)C1=O 764843960 DEHXCADDXFISTA-INIZCTEOSA-N 423.560 1.887 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCOCC2CCC2)C1=O 764938319 DAADNABORHHMBC-MRXNPFEDSA-N 418.519 1.670 30 10 HDEE COCCN(CCNC(=O)c1cc(C#N)c(SC)nc1O)C(=O)OC(C)(C)C 768578481 XQPZOJRUYJLJQR-UHFFFAOYSA-N 410.496 1.994 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 780205013 JMYWGBSXSMPRRU-OAQYLSRUSA-N 421.453 1.687 30 10 HDEE C#CCCCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 780841564 IPMGFTYUFYDWGY-SFHVURJKSA-N 400.527 1.355 30 10 HDEE C=CCCOCC(=O)NS(=O)(=O)c1cc(OC)c(Br)cc1OC 781702505 ZCMLUUYPJAOTFH-UHFFFAOYSA-N 408.270 1.864 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)n1 782807262 ISJVKGLFXRDVIE-INIZCTEOSA-N 423.864 1.535 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCn2cc(C)nc2C1 782822682 NQZUSBGQDNMKPU-INIZCTEOSA-N 415.519 1.831 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1C#N 786374941 HYKULKLFLMJCDG-UHFFFAOYSA-N 420.469 1.735 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1C#N 789659215 JBEOZINDMLLFLK-HXUWFJFHSA-N 406.486 1.964 30 10 HDEE COc1cc(OC)c2c(c1)C(=O)N(CCC(=O)Nc1ccccc1C#N)S2(=O)=O 790028683 AKHHXCXLLOBTNV-UHFFFAOYSA-N 415.427 1.749 30 10 HDEE CCOC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 799035014 QRFLJOLCHPCZAZ-IJYGLTAASA-N 419.865 1.847 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 802553996 KUUALNJBLRISNQ-OAHLLOKOSA-N 406.556 1.946 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 810517920 OTHQHCVORMAUHP-LBPRGKRZSA-N 421.397 1.960 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 811042465 MVKCYXWGJHMLPG-FUHWJXTLSA-N 415.494 1.403 30 10 HDEE CCOC(=O)[C@@H]1CCCc2sc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)nc21 817495195 HAMHLKYJNCSCQY-QZAQEVDKSA-N 418.475 1.981 30 10 HDEE Cc1cc(NC(=O)CSc2n[nH]c(NN=Cc3c(C)nn(CCO)c3C)n2)no1 1084175191 GZVDSKJVBSQYSD-UHFFFAOYSA-N 419.471 1.084 30 10 HDEE CS(C)(=O)=NS(=O)(=O)CCNC(=O)c1cnn(CCC#N)c1-c1ccccc1 1133682487 AHIOUAOEUZIXRM-UHFFFAOYSA-N 423.520 1.251 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H](C)N1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1ccccc1 1134861977 LTGIGGBAYLQECL-BHZXWLQSSA-N 402.472 1.777 30 10 HDEE Cn1cc(Br)c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1=O 1135509551 VYBIGGRWHVMLCE-UHFFFAOYSA-N 415.291 1.977 30 10 HDEE O=C(N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cccc(C#CCO)c1 1136692639 FUYPKBHKFWUKSB-HXUWFJFHSA-N 421.501 1.056 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1)C(=O)OC 1139175461 FUKOGRJAMJWLGQ-LIRRHRJNSA-N 400.472 1.168 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1152886561 DXYWAHFKBPUFDT-MTSZKFMLSA-N 421.494 1.619 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OC 1155474636 HZCQWUZOQZPLMH-GOSISDBHSA-N 408.520 1.545 30 10 HDEE Cc1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)nn1-c1cccc(C#N)c1 1157991487 DJNOOMKOYKMXPV-QZTJIDSGSA-N 411.462 1.762 30 10 HDEE CN(C)S(=O)(=O)c1c[nH]c(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1171271368 QJCDDGKHQLEUOE-UHFFFAOYSA-N 402.476 1.572 30 10 HDEE CNC(=O)c1cccc(N(C)CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)c1 1197979187 STLSTAQOJGYHQW-GOSISDBHSA-N 411.531 1.953 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNS(=O)(=O)c1cnn2cc(Br)cnc12 1211683359 ABSIBEOGFGMSDW-MFKMUULPSA-N 401.286 1.751 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1221993110 SLCOZBBUCLENEY-SFHVURJKSA-N 422.551 1.453 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc[nH]n1 1255985640 QBVOJIVKDNJWQF-APWZRJJASA-N 417.441 1.394 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCNC(C)=O)CC1 1286484905 PZIZRVHMXGHCCX-UHFFFAOYSA-N 424.549 1.755 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCNS(C)(=O)=O 1286525990 UIPWBJUWNKSYLP-QGZVFWFLSA-N 408.553 1.175 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286612769 YCCJOBHNGFATME-DLBZAZTESA-N 403.527 1.870 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCS(=O)CC1 1286816712 LCAVQOPFLRUAPB-UHFFFAOYSA-N 412.512 1.254 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1288354293 IHDZMWFIMVJWHA-IERDGZPVSA-N 417.462 1.476 30 10 HDEE CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1289201869 SDQPSPSMICEKQX-ZBEGNZNMSA-N 416.908 1.144 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1291113242 ALKUCWZQPFVCNX-FOIQADDNSA-N 415.519 1.603 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NCC1CCN(CC#N)CC1 1293421139 XVGMAGILXFRJAX-SFHVURJKSA-N 423.558 1.394 30 10 HDEE N#Cc1cc(NC(=O)[C@H](CO)NC(=O)c2cccc(F)n2)ccc1OC(F)(F)F 1296986052 CZEMAVAQNXHQEK-LBPRGKRZSA-N 412.299 1.720 30 10 HDEE CN(CCc1cnccn1)c1nnc(-c2cccc(C#N)c2)n1CCCn1ccnn1 1298631251 AVXSBNKVCRYIOW-UHFFFAOYSA-N 414.477 1.967 30 10 HDEE CNC(=O)C(C)(C)Cn1c(CC2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1298943544 YCEJSWZYBJCNGD-UHFFFAOYSA-N 422.537 1.596 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Cc1ccc(OC)cc1 1300429836 DHYJRWQRDYXVJC-CVEARBPZSA-N 419.551 1.845 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1C[C@@H](C)CN1CCN(CC)CC1 1300526953 QXACQAAXRHDKAF-FQEVSTJZSA-N 405.550 1.687 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCC(=O)N1CCOCC1 1300607016 ZEBBZSKUPQOTRE-UHFFFAOYSA-N 412.450 1.562 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(c2ccc(O)cc2)CC1 1301497782 DOMATXZRPISQET-SFHVURJKSA-N 424.505 1.621 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCN(C3CC3)C2)C1 1301536431 WFFWDQRKPDRHAU-AEFFLSMTSA-N 402.543 1.682 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)[C@H]1CCSC1 1301568933 ZMINEUKFBWYYKO-AWEZNQCLSA-N 413.569 1.057 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1302361788 HDZWKASOBPQJTO-NRFANRHFSA-N 408.483 1.691 30 10 HDEE C=CC[C@H]1CCN(Cc2nc(=O)c3c(CC(=O)OC)c(C(=O)OC)sc3[nH]2)C1 1307960629 APKXDXULMURIMK-NSHDSACASA-N 405.476 1.885 30 10 HDEE Cc1nnc2n1C[C@H](C(=O)N(C)C)N(Cc1ccc(Br)cc1C#N)C2 1308146572 DMLFYKUKFUTJSU-OAHLLOKOSA-N 403.284 1.693 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc2)nn1 1311720201 AOXUWNFUBZARHS-IYBDPMFKSA-N 412.494 1.713 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)n1 1313162625 IIQYVEPFTHUCRN-UHFFFAOYSA-N 403.527 1.854 30 10 HDEE C#CCN(C(=O)NCC[C@H](C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1320594030 PMXLCIORAZLTFU-GJZGRUSLSA-N 401.529 1.464 30 10 HDEE COC(=O)c1cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)n(-c2ccccc2)n1 1338544781 ZARYJDCQVIPAEF-UHFFFAOYSA-N 424.438 1.790 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1cc(Br)c2c(c1)OCO2 1351735091 FMDUUKZHFYURFM-UHFFFAOYSA-N 420.223 1.861 30 10 HDEE C#CCN(c1nnc(C)n1Cc1cccc(C(OC)OC)c1)[C@H]1CCS(=O)(=O)C1 1358957577 WMENNZIAMRDJKF-SFHVURJKSA-N 418.519 1.553 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1358963639 LPJVIXTWTVXWSX-QGZVFWFLSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCOCC1 1358984071 HEKHTYVAHKKVBZ-GOSISDBHSA-N 414.554 1.380 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1359002979 UIWUDWLWSYOZSJ-KRWDZBQOSA-N 411.506 1.908 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccsc2)n1CC1(N2CCOCC2)CC1 1359025834 AFZMXKGZVFLDFA-UHFFFAOYSA-N 415.563 1.881 30 10 HDEE C=C1CCN(c2nnc(-c3ccccc3C)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1359163205 VCDBJWHUMOEGLN-FQEVSTJZSA-N 402.520 1.960 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1359230019 CBNWFGMZUFRPEW-UHFFFAOYSA-N 420.514 1.430 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCNS(=O)(=O)CC 1359237864 PJXXQJNRECYVNC-UHFFFAOYSA-N 415.523 1.692 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCOC1 1359256845 RKCZINGCWYBUCI-SIKLNZKXSA-N 409.490 1.998 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1359306408 FRSKKTIDUZXDCL-RIFZZMRRSA-N 402.499 1.434 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN(C(C)=O)C[C@H]1C 1359332414 WZBYSWCGNOEFKJ-OAHLLOKOSA-N 409.556 1.594 30 10 HDEE CC(C)c1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359712885 OBFTXYZATYSKOS-LTCJTPMSSA-N 414.510 1.933 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)CN1CCS(=O)(=O)CC1 1436641302 IRFLFIUNTOUGAF-UHFFFAOYSA-N 403.298 1.683 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N(Cc2ccccc2)c2ccc(C#N)cn2)C1=O 1436868254 PLZKROLGLXMVPP-GOSISDBHSA-N 406.442 1.898 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2C[C@@H](CCO)[C@@H](CO)C2)C1 1457261132 FMKKPTNJSCASTD-IUODEOHRSA-N 408.296 1.206 30 10 HDEE C=CCOCCCNC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1461636211 QSCBZIIQZVSWRN-UHFFFAOYSA-N 408.520 1.999 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1463800298 LHAUVDAJIQRPMJ-MRXNPFEDSA-N 404.517 1.727 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(Br)cc1C#N 1464734760 ZGJKQTUKDARXNX-MRXNPFEDSA-N 407.312 1.993 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)CNC(=O)OC(C)(C)C)c1 1468184171 YEUMMHIQPLLUQN-INIZCTEOSA-N 424.519 1.441 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)nc2n(C)c1=O 1470611220 XQARMXYRYDJCFE-UHFFFAOYSA-N 418.457 1.221 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2c(C)nn(C)c2N2CCC2)s1 1470665881 AYJOLURKUXFFDZ-UHFFFAOYSA-N 409.537 1.646 30 10 HDEE N#Cc1cn(CCNC(=O)NCCc2c[nH]c3c(Cl)cccc23)c(=O)nc1O 1470964800 JGXNHODWFCZJDX-UHFFFAOYSA-N 400.826 1.497 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1471520897 BSTCPUPKTFBLGQ-UHFFFAOYSA-N 406.504 1.470 30 10 HDEE COC(=O)[C@@H]1CN(c2nnc(C)c(C)c2C#N)CC12CN(C(=O)OC(C)(C)C)C2 1472887684 JYWACAXWNXOLMP-HNNXBMFYSA-N 401.467 1.811 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN(CC(=O)N(CCC#N)c2ccc(C)c(C)c2)C1 1473688967 OGEXGCQFISCWSN-GOSISDBHSA-N 406.552 1.811 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1478792750 BDYFSTAQXKJMGK-UHFFFAOYSA-N 423.495 1.770 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1504755921 LPNCGXBBBFZXPH-SVMVAKDDSA-N 424.505 1.319 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCSC2)CCO1 1505322151 JRCMOFFUKVPFCE-CXAGYDPISA-N 406.899 1.590 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1507536758 DUMUQKTXETWZTE-WBVHZDCISA-N 404.540 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(NC(C)=O)c1 1507537956 JSUULFLHKBNCHV-WMLDXEAASA-N 415.519 1.645 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCC(C(=O)Nc2nncs2)CC1 1507595712 VBAXHBHIQRGGBV-UHFFFAOYSA-N 403.512 1.935 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C(C)(C)C)cs1 1507600603 HSBZGVRUBLPBNX-CYBMUJFWSA-N 424.596 1.954 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507761880 OTDLMBGJDKELTF-JOCHJYFZSA-N 408.506 1.657 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(C)(C)N1CCOCC1 1507973532 HZKZPUWUFUKADN-UHFFFAOYSA-N 423.525 1.654 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCC(Cn2cccn2)CC1 1508085738 WBQHQDIJRCHOBX-UHFFFAOYSA-N 420.521 1.679 30 10 HDEE CC(C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1508734912 COECFHUMLLDORQ-UHFFFAOYSA-N 409.494 1.582 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2COCCO2)cc1 1521101654 GHUNSCBTFLPYAU-IBGZPJMESA-N 408.462 1.884 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)c1 1527211446 LHAAYQOBQBKRIY-RLFRPXQUSA-N 401.492 1.975 30 10 HDEE COc1ccc(CC(=O)N2CC[C@@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1529652647 XWWKLIWQPFDIKK-IBGZPJMESA-N 407.492 1.021 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N3Cc4cccc(C#N)c4C3)CC2)cn1C 1537886905 CEUIWLNTJGCCOG-UHFFFAOYSA-N 413.503 1.543 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@]2(O)CCOC2)c1 1539045702 IHSBVBMCWBBTFT-QFIPXVFZSA-N 409.490 1.438 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1539193757 JVYNXFULMLSCCF-SFHVURJKSA-N 411.506 1.730 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCc1ccc2c(c1)OCCO2 1539408868 GGXIJNWJZNRIIR-UHFFFAOYSA-N 420.473 1.835 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1539823488 DMDOYTACAPNYML-GDBMZVCRSA-N 408.934 1.671 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539884000 AHRBDNNUNHIKPJ-HKUYNNGSSA-N 415.586 1.658 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539926144 JOPLOHXQDQYKFS-SJORKVTESA-N 414.554 1.965 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1 1540004721 DYIMSYHMSIISAG-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 1540876548 VCROEVGJTVMSGO-QCBUCWTNSA-N 405.499 1.205 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)C1 1540895460 SIJGJAPZEKQJNP-GOSISDBHSA-N 400.527 1.444 30 10 HDEE CC(C)C(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)CC1 1541269606 AEIFUEVRPICQRT-UHFFFAOYSA-N 423.521 1.646 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1544172747 BZWJLMSDUPSDRM-UHFFFAOYSA-N 400.479 1.302 30 10 HDEE COCCOCCn1c(COc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C#N)C1 1555723834 FNVGEEWLEYOQOR-IBGZPJMESA-N 415.494 1.866 30 10 HDEE CSCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1555934761 SHUSOBVJGLSXEE-ZBFHGGJFSA-N 424.596 1.110 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NCC1(O)CCC2(CC1)OCCO2 1558439575 ALLQHMZECPUAGF-HNNXBMFYSA-N 411.499 1.738 30 10 HDEE CC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1561958081 YGGLTMXDOFFHNZ-WFASDCNBSA-N 402.881 1.101 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@@H]1C(F)(F)F 1564721289 QYAYHBNLENJMKL-WDEREUQCSA-N 407.393 1.113 30 10 HDEE C#C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1ccc(Br)cc1 1564999953 QUBPTFBZHNSEDL-LXZKKBNFSA-N 422.304 1.703 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1 1583661862 PKFZHKOIEKKOHO-OAHLLOKOSA-N 400.447 1.256 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1587567837 KVVVHODQORWVSL-JWWGGVBKSA-N 404.511 1.726 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CC[C@]2(CCOC2)O1 1587683360 IJWHPVLGGMGRQW-ZZAJSIFASA-N 404.511 1.798 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)NCC)CC1 1587727885 BANUDEACCSIRBQ-HNNXBMFYSA-N 416.950 1.693 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1587945861 RSYZOJTYLJGRJB-QVKFZJNVSA-N 400.479 1.962 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1593741690 VFYZATGEILDQGX-DLBZAZTESA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1595530115 TXTMPDQHSFBLOA-UHFFFAOYSA-N 424.509 1.019 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@]1(OCC)CCOC1 1595602288 IXECDQXHBXFTBF-CLCXKQKWSA-N 409.556 1.563 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)CC1 1595838543 WXXODXKCGPHTRO-UHFFFAOYSA-N 401.496 1.171 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1615635069 OEMPNMGVQBYPSE-UHFFFAOYSA-N 420.517 1.445 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC(Cn3cnnc3)CC2)cc1 1616695444 WBWOIOLLORZJII-UHFFFAOYSA-N 402.480 1.022 30 10 HDEE CC(C)(C)NC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1616784033 OZAPQIYUCYCZMP-UHFFFAOYSA-N 410.471 1.389 30 10 HDEE Cc1sc(=O)n(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1ccccc1 1618171737 JVXNTBJITFMYLV-HNAYVOBHSA-N 417.512 1.282 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncccc2C)CCO1 1618692231 BMDJNMMSUSOWFL-LJQANCHMSA-N 417.473 1.520 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cccn2)CCO1 1620355677 XIFOZFGYEVLNGH-KRWDZBQOSA-N 408.422 1.869 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(F)(F)C[C@@H]2CO)C1 1625301224 ZHRXOUPZOKIFIH-CYBMUJFWSA-N 400.223 1.985 30 10 HDEE C#CCC1(O)CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)CC1 1628318071 ZNUYFEXGCHULDJ-FQEVSTJZSA-N 401.507 1.628 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@H](O)CN1c1ccncn1)c1ccc(Br)cc1 1628542859 KTRYYBFMPBPREJ-JYJNAYRXSA-N 401.264 1.669 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1628682362 JZNQRLNXNRMZIA-HUUCEWRRSA-N 413.906 1.970 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)CC1 1629846630 QSKYPDRGDMSMEZ-UHFFFAOYSA-N 401.507 1.999 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](OC)c1cccc(Cl)c1)c1cc[nH]n1 1629954352 QYUYIIWPFZEMQZ-HNNXBMFYSA-N 408.842 1.851 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@](C)(CO)Cc2ccc(Cl)cc2)cc1 1632451061 OIZPSIXRYDWMSQ-HXUWFJFHSA-N 420.918 1.975 30 10 HDEE COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1632997072 BOZZOPJBSMHBMJ-IRXDYDNUSA-N 403.284 1.433 30 10 HDEE N#C[C@@]1(F)CCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1633017892 DLPWNMTVMJNFJO-ZDUSSCGKSA-N 412.166 1.345 30 10 HDEE C=C[C@H](CO)NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)s2)C1 1633696103 PKIZURQXGRYLBP-GHMZBOCLSA-N 423.354 1.574 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](CCN(C)C)c1cccnc1 1635354464 XRXNDRAXBWCQFD-HNAYVOBHSA-N 415.519 1.429 30 10 HDEE C=CCC[C@H](NC(=O)[C@@](C)(NC(C)=O)c1ccc(S(C)(=O)=O)cc1)C(=O)OCC 1635699280 SPUCPCHDXAZSCJ-PXNSSMCTSA-N 424.519 1.456 30 10 HDEE CCCCS(=O)(=O)N1CCC(C(=O)N2CCc3c(sc(N)c3C#N)C2)CC1 1636719452 ACTWBDLXAKRNOL-UHFFFAOYSA-N 410.565 1.929 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H](CO)c2ccc(OC)cc2)c1 1637628246 SDWONFXJLWBJON-KRWDZBQOSA-N 402.472 1.113 30 10 HDEE CN(CC[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(O)nc1=O)C(=O)OC(C)(C)C 1637819638 HNBKPWHLBXPUMS-HNNXBMFYSA-N 419.482 1.459 30 10 HDEE CC(C)(C)n1cc(CNC(=O)N2CCN(c3ccccc3C#N)CC2)c(O)nc1=O 1638327243 WRZRGFNQIMKHOE-UHFFFAOYSA-N 410.478 1.607 30 10 HDEE C#CC1CCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 1638865944 GQGRNFWXJGTZSZ-UHFFFAOYSA-N 407.215 1.752 30 10 HDEE C[S@](=O)c1ccc(CC(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)cc1 1639054631 TYCUHCNLQNAZLC-NDEPHWFRSA-N 400.456 1.871 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(=O)n(Cc2cccc(F)c2)c1 1640152082 QYKUWIWMJZQMGS-QZQOTICOSA-N 410.405 1.891 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1)C(=O)OC(C)(C)C 1641389776 ABHAAFPQKVKWED-HXUWFJFHSA-N 414.550 1.789 30 10 HDEE CC(C)C[C@@H](CN1CCCC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1641664173 BZNAUKCHIIZMPM-WMZOPIPTSA-N 406.552 1.852 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2c[nH]c(C)c(OC)c2=O)c1 1641707988 MVBHBMUKKHVYQY-UHFFFAOYSA-N 402.472 1.761 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C1=O 1643676000 SJXUAUFTZKFXLZ-QVKFZJNVSA-N 412.446 1.268 30 10 HDEE CCC(=O)NC1CCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)CC1 1644510966 HWRBEPYZTMGPLJ-QGZVFWFLSA-N 403.552 1.448 30 10 HDEE COc1cccc(C[C@H](C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)n2nnnc2C)c1 1644587311 IOMVICHMJHQSQE-NHCUHLMSSA-N 420.473 1.838 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)CC(=O)NCCOc1ccc(C(F)(F)F)cc1 1645173186 CYKHVKWGVDDLON-UHFFFAOYSA-N 424.427 1.942 30 10 HDEE C#CC1(F)CN(C(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)C1 1651092083 CDGHBKIBQWXRRZ-UHFFFAOYSA-N 409.439 1.488 30 10 HDEE Cc1onc(CC(=O)N[C@@H](CO)c2ccccc2I)c1C#N 1653487735 BVKBTTKCLQGVBL-AWEZNQCLSA-N 411.199 1.852 30 10 HDEE COC(=O)c1ccc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1C 1654530671 DZYRONDETCEPRS-UHFFFAOYSA-N 407.224 1.608 30 10 HDEE CCC1(CC)CNC(=O)[C@H]1NCC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1654894673 GGLMNGVIQFJXCP-MAUKXSAKSA-N 403.552 1.351 30 10 HDEE CCN(C(=O)CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1nc2ccccc2s1 1656344797 ZJBYPMBCDRQDQZ-SCLBCKFNSA-N 404.517 1.519 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)N(CC(C)C)c2c(O)nc(=O)n(CC(C)C)c2N)C1 1659142293 GWODFPCIDFOYTA-QGZVFWFLSA-N 417.554 1.911 30 10 HDEE O=C1C=COC2(CCN(CC(=O)NCc3ccc(N4CCOCC4)c(F)c3)CC2)C1 1660397961 FUDVCBJNZQLZLV-UHFFFAOYSA-N 417.481 1.616 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)Cc2ccc(-n3cccn3)cc2)n1 1661770479 PFCQJUVUXWJVIE-UHFFFAOYSA-N 413.503 1.680 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O 1662964959 LLKSQYRJXHBABE-CQSZACIVSA-N 406.504 1.950 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CC[C@@](O)(CC#N)C2)CC2(CCOCC2)C1 1675993077 IPLIXZSKBCSGKT-IERDGZPVSA-N 422.526 1.853 30 10 HDEE C[C@H]1CN(C(C)(C)CNC(=O)N2CCN(c3ccc(C#N)nc3)CC2)C[C@@H](C)O1 1676296661 GZUJMERKAHDASQ-CALCHBBNSA-N 400.527 1.673 30 10 HDEE C#C[C@@H](NC(=O)N[C@H](CC)CNS(C)(=O)=O)c1ccc(Br)cc1 1681242104 XQUZEONAWBKWPM-ZIAGYGMSSA-N 402.314 1.750 30 10 HDEE COC[C@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)c1ccc(Cl)cc1 1682637958 GSEDJNGZWCNWPZ-AWEZNQCLSA-N 405.842 1.203 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)n1 1685441544 QIIRXWTZKMLZPA-QGZVFWFLSA-N 410.503 1.647 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1690075058 BLDVTKUIBDFCPT-RTBURBONSA-N 416.570 1.574 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@H]2COCCO2)CC1 1690132303 NYEWWSMAAUBDKN-HXUWFJFHSA-N 411.506 1.336 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCCCOCCOC 1690189271 WUZBCJRPPCIWCS-OAQYLSRUSA-N 403.527 1.949 30 10 HDEE C=C(C)COCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1690306369 UMYUSPSVQSESFQ-HXUWFJFHSA-N 423.456 1.955 30 10 HDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C)C(=O)C1 1690313289 PMRDCDGUIPJDHV-GOSISDBHSA-N 413.478 1.662 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CC1 1690838366 HIKRCHKLUNJRRM-VFNWGFHPSA-N 410.478 1.025 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)C[C@@H](C)C#N)n1Cc1ccc(Cl)nc1 1690993199 GSULPOLGXLPLSC-RYUDHWBXSA-N 411.919 1.581 30 10 HDEE COCCN(c1nnc(C)n1CCN/C(O)=C1/N=CC=CC1=O)[C@@H]1CC[C@@H](C)C1 1698035219 BUKDMVYKOVHJQH-FWSWYPJWSA-N 402.499 1.754 30 10 HDEE COCCOc1ncccc1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C#N)C1 1698188941 JABFEDPJBBCYKM-MRXNPFEDSA-N 409.450 1.470 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(OC)CCOC1 1705486040 VRPBRVFVKADIER-QRWLVFNGSA-N 408.466 1.184 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2CC2(O)CCOCC2)c1 1705504051 LQOZDGZUBSKQBB-UHFFFAOYSA-N 411.506 1.999 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705508115 PLKLTIZNFZRVDK-QZTJIDSGSA-N 401.511 1.702 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1705519960 CPOVVHHFVOOWRG-UTKZUKDTSA-N 401.511 1.588 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1705524982 WBYRFYYCFXAGBD-SJORKVTESA-N 419.555 1.648 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1705534080 YLYNTEXDAVWMAD-VQTJNVASSA-N 422.533 1.498 30 10 HDEE C=C(C)COCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1705740721 VEJQQEYFWQRVBY-VQTJNVASSA-N 407.515 1.225 30 10 HDEE C=CCCCCCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCS(=O)(=O)C1 1705799283 RNBJPMMRIXSOOH-HZPDHXFCSA-N 409.556 1.847 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCN(C)C1 1705864866 AVWLQTDGYMWKIL-FQEVSTJZSA-N 413.551 1.999 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1705896918 BRFHRHSFRFCJLV-HRAATJIYSA-N 423.558 1.946 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1705946152 ABPXLVLBOYGYKU-UHFFFAOYSA-N 419.555 1.817 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@@](C)=O)CC2)cs1 1707755505 QFZOVXHMWZCWGY-CHAGWJKLSA-N 408.528 1.987 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1722322438 SUHXGKRBDFIRTQ-UHFFFAOYSA-N 422.489 1.562 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1CCCCC1 1722384447 WDBWOZFNSXCNAM-SFHVURJKSA-N 417.579 1.518 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cccs1 1722447417 MTOBNEUFACSTJI-IFXJQAMLSA-N 403.508 1.284 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1cccs1)N1CCOCC1 1722638855 PYHAUBPBPFLPOD-JKSUJKDBSA-N 416.551 1.986 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)(C)C)CC1 1722700626 OFLQCSAMERYHKR-UHFFFAOYSA-N 417.583 1.857 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3C)n2CCNS(=O)(=O)CC)C1 1722715212 MPAIEYRSIHUSEA-KRWDZBQOSA-N 419.551 1.974 30 10 HDEE CO[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2cnnn2C)CC[C@@H]1C 1730406748 NQDUHCBAVQNSIQ-HNAYVOBHSA-N 422.493 1.767 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[C@@H]1CCO[C@H](C)C1 1730873719 GWTLNRPZVGIFCZ-BRSBDYLESA-N 407.515 1.936 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCNC(=O)c2ccco2)c1 1731180400 IAWXVPMGCYTOQW-QGZVFWFLSA-N 417.429 1.569 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1740582158 KLTPMQASBRNCDH-QAPCUYQASA-N 402.520 1.969 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccco2)CC1 1740584789 KEZRRIZLIFHHFQ-KRWDZBQOSA-N 415.494 1.971 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1C[C@@H]1CCN(CC(F)(F)F)C1 1740601455 VWGYHTQCNAAUQE-LSDHHAIUSA-N 403.449 1.956 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1740623183 PRSKWLJRPFWGON-BEFAXECRSA-N 414.531 1.884 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1CCOCC1 1740630108 FJOALHQVXCOZAW-UHFFFAOYSA-N 412.515 1.848 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2ncccn2)CC1 1740767164 MZEDGZPHBXQOCI-MJGOQNOKSA-N 413.526 1.912 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1740781456 IZLZOOSBHBYKMX-MRXNPFEDSA-N 404.515 1.269 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740954463 NJMVQYKBTVMPMJ-MOPGFXCFSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1740963510 MZVQMULETQFZMX-WMZOPIPTSA-N 408.462 1.399 30 10 HDEE CC(C)CCOCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1741534612 LJVNQWVZIJUBAO-OAHLLOKOSA-N 416.482 1.797 30 10 HDEE C[C@H](Cn1c(Cc2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1741857811 KPKHIFJLOFWZMM-OAHLLOKOSA-N 418.505 1.749 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N2CCOCC2)CCSC1 1743782640 HHMYDTTVPSLOFR-QKLQHJQFSA-N 420.583 1.728 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCSC1 1744035919 GYPKQYLULIARTA-IBGZPJMESA-N 406.556 1.804 30 10 HDEE CCNC(=O)c1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)cc1 1746498370 GUBLYHQJECICBW-RTBURBONSA-N 424.505 1.699 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccc(C)c(F)c1 1747219400 GPSSCRRDPPLULL-MRXNPFEDSA-N 416.457 1.421 30 10 HDEE CN(C)[C@@]1(Cn2c(-c3cnn(C)c3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1747566269 DLPSLJLKAXCGJI-ZWKOTPCHSA-N 404.519 1.558 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCCC2)CCOCC1 1748634265 CTAVLGJJCNTFJZ-SFHVURJKSA-N 414.554 1.617 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCNS(C)(=O)=O 1748685665 DDAZHDIONHOFFO-INIZCTEOSA-N 405.524 1.563 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1748725294 YRTUMVRQSGZQMA-UHFFFAOYSA-N 412.538 1.653 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1748750343 CWGXMSUXKMUAMG-GOSISDBHSA-N 408.506 1.943 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1748811647 JSVYNOIKSMPOJL-IAGOWNOFSA-N 417.535 1.337 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccsc1)[C@@H]1CCS(=O)(=O)C1 1748824547 QDJNHTAQUHWKOW-MRXNPFEDSA-N 408.549 1.746 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2C)nnc1N1CCO[C@H](C(=O)NC)C1 1749459530 MIPUGEBABUYBAV-IBGZPJMESA-N 413.522 1.721 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(C(=O)N(C)C)CCCC1 1749595961 POFZCVYIYXMCBH-UHFFFAOYSA-N 415.542 1.966 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)C(=O)NCC)C1 1749717562 MHHVCGIZPYBISF-INIZCTEOSA-N 418.542 1.344 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CC[C@]2(CCOC2)O1 1749925032 LLSPFUCGQGWJDT-PDOICOKGSA-N 407.515 1.936 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CC(F)(F)CO2)c1 1750382231 QFNYRFLRIYRZHA-HZPDHXFCSA-N 400.389 1.970 30 10 HDEE C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1)c1ccccc1 1751237664 CKEHKWXJKOVERS-DYESRHJHSA-N 410.478 1.151 30 10 HDEE CC1(C)CCO[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1751295990 LWPDDPNTPGZHJY-WMZOPIPTSA-N 424.505 1.855 30 10 HDEE CC[C@@](C)(O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1752561197 CZLXCWPIIVCIMK-QUJKESNLSA-N 418.542 1.340 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCn2ccnc2C1 1760173141 KSUQRMFOEHATKD-MRXNPFEDSA-N 424.530 1.877 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1cccc(F)c1)[C@H]1CCS(=O)(=O)C1 1760186358 BXJDKSLSRSMUJK-AEFFLSMTSA-N 418.494 1.596 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCn1c(O)nc2ccccc21 1760193863 UHLGOTLPCHFEDR-UHFFFAOYSA-N 405.462 1.245 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@](C)(O)C2CC2)CC1 1760269277 DETVGFQUJJNUCA-GCJKJVERSA-N 415.538 1.647 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CC[C@@H](C(N)=O)C1 1760285735 PQARUQLOXGBWCN-OAHLLOKOSA-N 415.519 1.544 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CN2CCCC2=O)n1CC1(C(=O)NCC)CCC1 1760296979 BSPMJELLMIACJK-OAQYLSRUSA-N 412.538 1.699 30 10 HDEE C=CCCCn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1760435124 YNQOGPPOXUKARN-UHFFFAOYSA-N 412.494 1.740 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1760464948 SGSMEGXGPMBDQU-MRXNPFEDSA-N 400.508 1.921 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCC[C@@H]2NC(=O)NC2=O)C1 1760541880 BHFHZAOKFMLQMM-GJZGRUSLSA-N 404.515 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(CC)s2)C1 1760550416 YCVKITPVHQQCKK-CQSZACIVSA-N 417.539 1.644 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760565809 FMXULRVURYJBKE-QGZVFWFLSA-N 422.599 1.348 30 10 HDEE CC[C@H](C)c1nnc(N2CCO[C@@H](COC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763812816 BDJJAEUILIFZAS-LTDXQCTPSA-N 418.498 1.170 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(=O)NC)CC1 1764562705 HGMMJDCGYUOLQH-UHFFFAOYSA-N 423.521 1.695 30 10 HDEE CCCNC(=O)Cn1c(COc2ccccc2CC)nnc1N1CCO[C@H](C#N)C1 1766265067 DCTLJGMZAIJFEK-QGZVFWFLSA-N 412.494 1.674 30 10 HDEE CN1CC[C@@](O)(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1 1769061531 CZQRDDBANDIVPZ-UXHICEINSA-N 420.439 1.656 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2cccnc2)n1Cc1nnc2n1CCC2 1769846776 GRENJNDPZKTEEY-UHFFFAOYSA-N 407.482 1.216 30 10 HDEE COCCOCCn1c(-c2nnc(O)c3ccccc23)nnc1N(C)C[C@H](C)C#N 1770165108 XXPCESFWAFLXJQ-CQSZACIVSA-N 411.466 1.853 30 10 HDEE N#Cc1ccc(OCCN2CCN(CCN3C(=O)c4ccccc4C3=O)CC2)cc1 1849020095 FCACQELOCKQMDV-UHFFFAOYSA-N 404.470 1.851 30 10 HDEE CN1CCCC[C@@H]1C(=O)Nc1nc2c(C#N)nnn2c2cc(C(F)(F)F)cnc12 1851491734 IAXKFZQSZQJTBA-LLVKDONJSA-N 404.356 1.986 30 10 HDEE N#Cc1ccc(C(=O)NC2CCN(C(=O)c3cn(-c4cccc(F)c4)nn3)CC2)cn1 1851951305 BLHOHJLWNOUSJJ-UHFFFAOYSA-N 419.420 1.708 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)C[C@@H]3COc4ccccc4O3)CC2)nc1 1852059461 XVFRYSHQIYLPKA-GOSISDBHSA-N 408.458 1.849 30 10 HDEE C[C@H]1CC(=NC(=O)[C@H]2CCc3nn(C)c(=O)cc3C2)NN1c1ccc(Cl)cn1 1852738581 HNWNZNWIDBPIRL-RYUDHWBXSA-N 400.870 1.662 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@H]2CNC(=O)c3cc(-c4ccc(OC)cc4)nn32)CC1=O 1852763383 UIQQWLCYKVWOGX-LIRRHRJNSA-N 410.430 1.378 30 10 HDEE O=C1CC[C@@H](C(=O)N2CSC[C@H]2C(=O)OCC#Cc2ccc(Cl)cc2F)N1 1852892265 XGGYDNBQGFOQCW-GJZGRUSLSA-N 410.854 1.554 30 10 HDEE N#CC1(CNC(=O)CN2C(=O)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)CC1 1852986828 ZJPVVNWPOCFMCS-UHFFFAOYSA-N 409.229 1.704 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3ccc(OCC)cc3)C(=O)C2)C1 1853915718 BLTLOVKDHOBKBA-ROUUACIJSA-N 401.507 1.784 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2=O)cc1 1853939204 IHTRMSXETFVQSU-UHFFFAOYSA-N 401.419 1.512 30 10 HDEE C=CCN([C@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1854186367 NWAHJEPSTUZUQR-SJORKVTESA-N 407.873 1.868 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCC(Oc4ncccn4)CC3)CC2=O)c1 1854436485 JAOQZMXYDYFKED-QGZVFWFLSA-N 405.458 1.880 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)Cc3cn4ccsc4n3)C(=O)C2)C1 1854978456 AAQVERVLSDKFSB-RDJZCZTQSA-N 414.535 1.376 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)C(=O)C2)C1 1855019788 WXFPDCLVJILUDK-KRWDZBQOSA-N 408.424 1.907 30 10 HDEE C=C1CCCN([C@@H]2CCCN(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1855162315 FARVHFCAHYLILJ-IEBWSBKVSA-N 423.579 1.750 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)[C@H]1Cc2ccccc21 1855961721 SICFSCBOUWPRPN-SFHVURJKSA-N 409.467 1.976 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(O[C@@H]4CCOC4)c3)C2)CC1 1856155983 VPRKNQZDRTYDJT-RTBURBONSA-N 412.490 1.864 30 10 HDEE COc1cc(N(C2CC2)C2CCN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)ncn1 1856247384 AXFAFIUHMYAZAZ-HNNXBMFYSA-N 412.494 1.207 30 10 HDEE CN(C[C@H]1CC(=O)N(C(=O)CCC2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856266682 KRSIVNKDGLCPAN-QGZVFWFLSA-N 410.522 1.814 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4ncccn4)C3)C2=O)cc1 1856413416 HAPROICJFVSWEH-PKOBYXMFSA-N 405.458 1.880 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@@H]3C#N)C1=O 1856548905 UHYYUBFRISNGIP-GDBMZVCRSA-N 401.488 1.457 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC(S(C)(=O)=O)CC3)CCC2=O)cc1C#N 1856964191 SSKDBROMGVPZRY-MRXNPFEDSA-N 417.531 1.755 30 10 HDEE CC(C)(CC(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)C(F)(F)F 1857062687 NZNJVVNGPJYINM-CYBMUJFWSA-N 423.457 1.905 30 10 HDEE CC(C)(CC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)C(F)(F)F 1857062688 NZNJVVNGPJYINM-ZDUSSCGKSA-N 423.457 1.905 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cccc(-n4cnnn4)c3)C1)CC2 1857219179 IDRYZPLLXXRXAI-DOTOQJQBSA-N 405.462 1.277 30 10 HDEE CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)Cc3ccc(C#N)cc3)C(=O)O2)CC1 1857467432 HGVWDXOARKAIAF-KRWDZBQOSA-N 405.476 1.510 30 10 HDEE CCOC(=O)CN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C1(C#N)CCCC1 1857955862 LUXGXVCIHNHXHG-UHFFFAOYSA-N 407.492 1.779 30 10 HDEE N#Cc1cccc(C(=O)N[C@H]2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)c1 1858333486 HZVZSIYMLYOGQA-HNNXBMFYSA-N 400.416 1.659 30 10 HDEE CCN(CC)CCn1cc(OCc2ccc(C#N)cc2)c(=O)cc1CN1CC(O)C1 1870349339 JTFGOCWEUYKEEK-UHFFFAOYSA-N 410.518 1.817 30 10 HDEE C=CCn1nc(C(=O)NCCN2CCOCC2)c(I)c1C 1871319354 HWQYCPWYERGFPN-UHFFFAOYSA-N 404.252 1.044 30 10 HDEE C=CCN(CC=C)c1ncnc2c1cc(C(=O)NCCNC(C)=O)n2CCCOC 1873587137 BHACELGGACQUMT-UHFFFAOYSA-N 414.510 1.512 30 10 HDEE C=C(CNC(=O)[C@H]1CNC(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 1991971545 SQKDVGTXWLHQEQ-CYBMUJFWSA-N 409.292 1.026 30 10 HDEE C#CCn1ncc(Cl)c(NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)c1=O 2106116368 HBIHJTVYBCAOGW-MRXNPFEDSA-N 416.865 1.979 30 10 HDEE C=CCC1([C@H](CS(=O)(=O)N2CCOCC2)NC)CN(C(=O)OC(C)(C)C)C1 2145725290 NNSILWGKNZRIPM-HNNXBMFYSA-N 403.545 1.050 30 10 HDEE C#CCN(C(=O)[C@@H](CC(C)(F)F)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180138855 BMVNINHMAGUXPH-CHWSQXEVSA-N 408.467 1.574 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(F)(F)C(=O)N(CCC#N)CC(F)(F)F)C1 2181148663 VIECNTMOYZOLSV-UHFFFAOYSA-N 401.332 1.908 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)Cc2ccccc2C#N)s[nH]1 2187512606 KIPIOMNLUZHOHI-UHFFFAOYSA-N 409.493 1.798 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 2242595866 LGXZGYGVEHVYDS-VBKZILBWSA-N 402.403 1.767 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N(CC#N)Cc2ccccc2)n1 2243417596 UWEBTXFOHKNGHV-UHFFFAOYSA-N 416.312 1.434 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243674939 PSSPXTZLALVANS-UHFFFAOYSA-N 401.272 1.847 30 10 HDEE CC(C)(C)OC(=O)NOCCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1O 2247962436 JQQUMBOVAZXSBC-UHFFFAOYSA-N 422.287 1.878 30 10 HDEE CC1(C)OB(c2csc(C(=O)N=c3nc(CN)[nH]s3)c2Cl)OC1(C)C 2267584463 HAVMHDMFZPTXQA-UHFFFAOYSA-N 400.722 1.685 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CCCN3)cc2Cl)OC1(C)C 2267704666 RVYMJYINTDYENM-JTQLQIEISA-N 406.766 1.731 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@H]3C(=O)O)cc2Cl)OC1(C)C 2269026317 KONROLSKQVMREM-VIFPVBQESA-N 407.706 1.548 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282012303 UJXFTUYSTNQJTB-LLVKDONJSA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)N[C@@H]2CCCC3(CC2)OCCO3)OC1(C)C 2282179004 JZIUWVQKHNXFKO-CQSZACIVSA-N 403.288 1.581 30 10 HDEE CNCCCCN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282308290 PLWAIDIEBYNJBA-UHFFFAOYSA-N 402.391 1.976 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](F)[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320662 LOYVZPZFXAGIAL-VXGBXAGGSA-N 405.322 1.307 30 10 HDEE CCSC[C@@H](C)N(C)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282337706 JCMITBXDDPYXIU-GFCCVEGCSA-N 403.379 1.481 30 10 HDEE CC(C)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282492539 RJJSLFTWAZBEJH-UHFFFAOYSA-N 402.753 1.916 30 10 HDEE C[C@H]1CCSCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282503309 YEOMINMOFRDLEB-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCOC3(CC3)C2)OC1(C)C 2282508797 BCCBGXOEDPEEEK-UHFFFAOYSA-N 400.331 1.137 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3nnc(O)o3)cc2Cl)OC1(C)C 2282824768 DTWNOCKUDZJBJL-UHFFFAOYSA-N 421.693 1.268 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@H]1CCC[C@H]1O 2282831002 CXTAPEAIUNLCCB-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](O)C[C@@H](F)C1 2282831446 KLIGXWWDPZYJFI-VXGBXAGGSA-N 405.322 1.449 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H](C(F)F)C2)OC1(C)C 2282841457 UWSRLPZKNJUAHT-JTQLQIEISA-N 408.301 1.859 30 10 HDEE CN1CC[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1=O 2282844826 JHJPIFZOTWUAOA-SNVBAGLBSA-N 420.749 1.210 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCc3ccnnc3)cc2Cl)OC1(C)C 2282845942 BALLJOSPCUTVBL-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](O)[C@H](F)C2)OC1(C)C 2282846463 KGAGXTPCJLENNA-CHWSQXEVSA-N 405.322 1.282 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@@H](O)[C@@H](F)C2)OC1(C)C 2282846465 KGAGXTPCJLENNA-QWHCGFSZSA-N 405.322 1.282 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](CN)C(F)(F)F)c2)OC1(C)C 2282850906 VBDYBUKSISDXGX-SECBINFHSA-N 414.280 1.463 30 10 HDEE CNCC1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282853275 ANMHQNZKULMCLL-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@@H]1CCC[C@H]1O 2282856536 UOJYXNITVWOREP-FPMFFAJLSA-N 401.359 1.875 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3(O)CSC3)ccc2Cl)OC1(C)C 2282907672 QZAPSCKXPXRYJU-UHFFFAOYSA-N 419.761 1.395 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CC[C@H](C(=O)O)C2)OC1(C)C 2284397979 SDSNFSLPSKBVNQ-WDEREUQCSA-N 401.315 1.579 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CON(C(=O)OC(C)(C)C)C1 2300227886 WRSHAYQOEBGMNR-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE CC(=O)NS(=O)(=O)c1ccc(NC(=O)C(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 2325489628 ZYRDHEOWCDBNOR-UHFFFAOYSA-N 417.399 1.641 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns1)C(=O)C#CC(C)(C)S(C)(=O)=O 2339636188 GFLNUTGSAHVEBM-LLVKDONJSA-N 401.510 1.370 30 10 HDEE Cc1csc(C#C[C@@H](N)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n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c1ccc(NC(=O)CSc2nnc(N/N=C/c3ccc(O)cc3)n2N)cc1 20528344 SMGMUGDMZOECOE-KEBDBYFISA-N 413.463 1.883 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2cccc(NC(C)=O)c2)cc1 90732245 MUKVJPTYYOUZTE-UHFFFAOYSA-N 415.471 1.964 30 10 HDEE CS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 409715596 RWZCPOZZYAHVRT-UHFFFAOYSA-N 417.466 1.528 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NCCS(=O)(=O)N1CCSCC1 410015533 NJZWJWADNIDCDC-KRWDZBQOSA-N 411.549 1.456 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)CC1 437755191 XEQCTCWVMHDFKE-IBGZPJMESA-N 402.495 1.696 30 10 HDEE Cc1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1S(=O)(=O)N(C)C 443331404 DWCBMQDXQUBJOF-UHFFFAOYSA-N 406.508 1.630 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CCC(C)C 460545145 MYTWISDHDQBUCX-QGZVFWFLSA-N 424.571 1.953 30 10 HDEE CCOC(=O)[C@H](CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccccc1 461185668 LZXQDGJGYZFFSF-LJQANCHMSA-N 414.483 1.936 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(C#N)c(OC)c1 462469047 APSLNPVBUDZRRK-MUIFIZLQSA-N 401.419 1.201 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)Cc1ccc(C#N)cc1F 480733287 AJIIWGOCCBZCDX-ZDUSSCGKSA-N 400.439 1.400 30 10 HDEE CC(=O)N1CCCN(c2ccc(F)cc2NC(=O)NCCn2cnc(C#N)n2)CC1 483764650 YLHPJAABZUUJPM-UHFFFAOYSA-N 414.445 1.169 30 10 HDEE Cc1onc(CC(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)c1C#N 500328673 KLHBPTCLPDRQSB-UHFFFAOYSA-N 402.476 1.639 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2S(=O)(=O)c1ccc(C#N)cc1Cl 503723536 HCVYRCKGDFDSIL-UXOAXIEHSA-N 412.851 1.325 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N1CCN(CC(=O)N(CC)CC)CC1 505651608 ZVDVXDFPUZJMBM-UHFFFAOYSA-N 400.523 1.756 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cc(C#N)cs4)CC3)C2=O)n(C)n1 506871048 IYUCVVMPLHUFHX-MRXNPFEDSA-N 412.519 1.615 30 10 HDEE C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508952933 RYADMALETCPLEI-UHFFFAOYSA-N 410.522 1.802 30 10 HDEE CCS(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)O)Cc2cccc(C#N)c2)cc1 548246422 FWZMFSXYKSCHMY-UHFFFAOYSA-N 422.484 1.627 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(F)cc1 549215917 BOYXNJCMPRIZPL-KRWDZBQOSA-N 423.514 1.963 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@]4(CNC(=O)C4)C3)n2C[C@@H]2CCOC2)cc1 555489030 PJIOBGIOCZIIIB-JTSKRJEESA-N 406.490 1.960 30 10 HDEE COc1cccc([C@@H](CC(=O)O)NS(=O)(=O)c2cnc(C)c(C#N)c2)c1OC 559205239 XAOBNAXNKBOAMY-OAHLLOKOSA-N 405.432 1.773 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCN(c3cnccc3C#N)CC2)cc1Cl 572697111 XWBINCAYQXCBAQ-UHFFFAOYSA-N 420.878 1.904 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)Cn1nnn(C3CC3)c1=O)CCCC2 582993852 ZKIYZBBYOSCPLW-UHFFFAOYSA-N 403.446 1.955 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)c1ccc(CCNS(C)(=O)=O)cc1 588934453 GSCMVTSQLUXXDH-UHFFFAOYSA-N 415.515 1.939 30 10 HDEE Cc1ccc(C(=O)NCCNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1F 603551220 HGJPJSYJPWHIMD-UHFFFAOYSA-N 410.453 1.662 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN(C)CCN1CCCS1(=O)=O 610614856 ICKFNSMOHDVXBF-OAHLLOKOSA-N 410.565 1.844 30 10 HDEE CO[C@H](C(=O)NCC#CCNC(=O)[C@H](OC)c1ccc(O)cc1)c1ccc(O)cc1 683869014 KBQUKEZOBGYIHO-BGYRXZFFSA-N 412.442 1.409 30 10 HDEE C[C@H](C#N)N1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703980634 CMOVPDILMGKMDD-OAHLLOKOSA-N 418.519 1.168 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@]1(CO)CCCN(C(=O)OC(C)(C)C)C1 711645266 DPMOTVHPDZLIRI-AWEZNQCLSA-N 413.334 1.576 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2c2ccc3c(c2)OCO3)c1=O 728284073 BUZBGWJAAVMRQZ-MRXNPFEDSA-N 412.446 1.067 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ccc1F 728584170 XVRONZYNVQYUCW-OAHLLOKOSA-N 416.478 1.878 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 731851013 CKYRWYJYDMUVIR-PFONDFGASA-N 404.275 1.939 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 734293238 PEYHMCNUFZNTOF-UHFFFAOYSA-N 407.473 1.236 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N1[C@H]2CC[C@H]1[C@H](C(=O)OC)[C@H]2C(=O)OC 748611638 QHSXMXXPAHRCLS-OTRWWLKZSA-N 404.394 1.795 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)OCc3cc(C#N)ccc3Br)cnc21 755528043 AVSFPHRUDWFGTM-UHFFFAOYSA-N 402.208 1.508 30 10 HDEE CC[C@]1(c2cnn(C)c2)NC(=O)N(CN2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 755738304 HHWLQJWZRDPFIO-JOCHJYFZSA-N 422.489 1.950 30 10 HDEE C#CCN(C(=O)CS(=O)(=O)N1CCN(c2cccc(C)c2)CC1)C1CCCC1 757180782 ZKIHXPWBFJHUIZ-UHFFFAOYSA-N 403.548 1.851 30 10 HDEE C#CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](CO)C(=O)O 757243668 YYNFGQGXPYFUOG-PMACEKPBSA-N 422.437 1.479 30 10 HDEE COc1c(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cnc2c1cnn2C 757580030 HOQGCJOMKLKWID-BXUZGUMPSA-N 400.439 1.466 30 10 HDEE N#Cc1cccnc1NCCNS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2 758451102 XICYKCZNIUTIGG-UHFFFAOYSA-N 411.487 1.569 30 10 HDEE COc1cc2c(cc1OC)N(CN1CCN(c3cccc(C#N)n3)CC1)C(=O)C2=O 760553105 VZBLGTNJRKGOCS-UHFFFAOYSA-N 407.430 1.279 30 10 HDEE CC(=O)N1CCN(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)[C@H](C)C1 760750555 KPCMDCVDIZNGRW-DCKJRJMFSA-N 421.523 1.584 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@H](O)c2ccccc2OC)ccc1F 762327217 HWCJGVRZQKBRPM-INIZCTEOSA-N 408.451 1.762 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 763581402 QYCDZPNVCKNMQZ-RTBURBONSA-N 404.461 1.881 30 10 HDEE COCCn1c(=C(C#N)C(=O)c2cc(F)cc(F)c2)sc(=Cc2ccoc2)c1=O 772277319 HGJDQNZVQAYVPV-UHFFFAOYSA-N 416.405 1.813 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774170105 DSOHRTOINPINPU-KBXCAEBGSA-N 403.504 1.928 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)[C@H](O)c3ccc(C#N)cc3)cc2)CC1 780927395 IVDRZEGJQNQRDU-JOCHJYFZSA-N 421.501 1.441 30 10 HDEE CCS(=O)(=O)CCn1cc(C)c(NC(=O)NCCOc2ccc(C#N)cc2)n1 786749130 XKWDKHSXUSJBGS-UHFFFAOYSA-N 405.480 1.698 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCCCN(C)C(=O)OC(C)(C)C)cc1C#N 788893088 QHGAKALOBFGQQG-UHFFFAOYSA-N 404.467 1.556 30 10 HDEE Cc1cc(COCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)on1 800848206 VIUQDWDBCKXJMY-HEHNFIMWSA-N 406.464 1.951 30 10 HDEE COCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802429696 BVCSIXVYXYWRFQ-OAHLLOKOSA-N 420.477 1.417 30 10 HDEE Cc1cc(-c2nnc(COC(=O)C/N=C3/NS(=O)(=O)c4ccccc43)o2)c(C)o1 916486431 ROQACDJZTKSYFN-UHFFFAOYSA-N 416.415 1.728 30 10 HDEE C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 918613374 VPAHHFFFYVDBHF-OLDCTRRGSA-N 418.475 1.849 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1 918648912 JBSIDNVFNUYYPB-MRXNPFEDSA-N 402.495 1.994 30 10 HDEE C=CCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 920731185 MZPANPVBDNCYBR-OQLLNIDSSA-N 422.503 1.267 30 10 HDEE Cn1cc(Cl)c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1129030819 BBFWPMHEDTUQPE-AWEZNQCLSA-N 400.826 1.467 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@@H]1CS(C)(=O)=O 1129171647 HHNQBVXDOALHIT-CABCVRRESA-N 401.529 1.999 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OC)c2ccncc2)c1 1143875439 PGIMLIQFIOMKJF-SFHVURJKSA-N 400.456 1.913 30 10 HDEE CN1CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C[C@@H]1C(C)(C)C 1144026134 XNRYCNKVIXEBHS-QZTJIDSGSA-N 411.506 1.952 30 10 HDEE COC(=O)[C@]12CCC[C@H]1N(C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CC2 1154299951 RCLCZAZKLIAIIA-AUJRIZCKSA-N 419.503 1.448 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2Cc2ccnn2C)s1 1159903209 NNAUQVCSKIICAP-HNNXBMFYSA-N 408.549 1.722 30 10 HDEE CC(C)n1cc(Br)cc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757264 NLPGJAJWTCSRJM-NHYWBVRUSA-N 400.298 1.842 30 10 HDEE N#C[C@]12CN(Cc3nc(O)c4ccc(C(F)(F)F)cc4n3)C[C@H]1CS(=O)(=O)C2 1198336415 JSUALRGRGSFTIY-MEDUHNTESA-N 412.393 1.724 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C 1208475263 XYGMDGLDJNWDTH-ZDUSSCGKSA-N 420.940 1.372 30 10 HDEE C=CCn1cc2ccc(NC(=O)N3CCC(n4cnc(C(N)=O)c4N)CC3)cc2n1 1220157755 UUAHKYXEVWMQQC-UHFFFAOYSA-N 408.466 1.969 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@H]1CCC2(CCOCC2)CO1 1248167579 FBMYHLLNIDXTIB-IAGOWNOFSA-N 414.510 1.544 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)NCc1ccc(CC#N)cc1 1252315649 SDCNZOPZPFKKJY-UHFFFAOYSA-N 415.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(C)CCO[C@@H]1C1CC1 1286298675 NIHOIWWAUDYKJB-MCNSXXNHSA-N 406.552 1.843 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1C[C@]1(O)CCN(C)C1 1286403161 KHTAZXMJPRLIMO-QFIPXVFZSA-N 409.490 1.102 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](COC)OC 1286431108 SPFOBOCBJYQZNB-LJQANCHMSA-N 406.490 1.641 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCn2ccnc2C)CC1 1286478941 DYBJDFRFHVRGDJ-HXUWFJFHSA-N 411.554 1.913 30 10 HDEE C=C(Br)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC)C1 1286537464 CTBMOFVHTHBGHS-NWDGAFQWSA-N 411.304 1.100 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CC2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286555472 KPQFEJOGLHULIG-UAGQMJEPSA-N 409.556 1.607 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)CNC(=O)C2 1286670430 FVFOCMRYDIMQSV-HNNXBMFYSA-N 400.527 1.938 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(Cc2ccc(OC)c(F)c2)CC1 1286781252 WILSTHQLIONTDR-UHFFFAOYSA-N 402.474 1.359 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnn(C)c1 1286783292 JMFNKLGNJSOETR-UHFFFAOYSA-N 400.874 1.666 30 10 HDEE N#Cc1ccc(NC(=O)CN2CCCCC(=O)C2=O)c(I)c1 1288997982 YIQWXCBVWRKGPI-UHFFFAOYSA-N 411.199 1.683 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)cnc1C1CC1 1293032238 KQILMAITFKYANL-BMRADRMJSA-N 405.252 1.978 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1300372411 GOIODUQCHGCIIB-KRWDZBQOSA-N 402.499 1.385 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1nccs1)[C@H]1CCS(=O)(=O)C1 1300487223 IFBRVZRVDNZFLL-ZDUSSCGKSA-N 402.505 1.405 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCCN2CCC[C@@H]2CO)CC1 1300682673 INFUZNQBEUQLCC-VQTJNVASSA-N 402.587 1.784 30 10 HDEE C=C(C)COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](C(F)F)C1 1300971804 GEPARONLTCNTSZ-ZIAGYGMSSA-N 421.514 1.963 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1301198788 QRXQYICCVOCPQW-UHFFFAOYSA-N 418.542 1.442 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCC3)n2CC2(O)CCS(=O)(=O)CC2)C1 1301554851 ONTICZIDZKIZRV-INIZCTEOSA-N 410.540 1.267 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)CCn1cccn1 1301576750 BCHJGGQNVBBXCN-UHFFFAOYSA-N 403.512 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@H](COC)C1 1301588966 MXSGOONGHBGDLI-HOTGVXAUSA-N 414.572 1.708 30 10 HDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1302502029 AVPBBMOGNOCZEU-IIBYNOLFSA-N 412.494 1.447 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@]2(C)COCCO2)CCOC1 1303497799 ZTDCBQQYXOEWEF-SLFFLAALSA-N 423.489 1.566 30 10 HDEE Cc1nnsc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC#N)CC1 1304115492 DPJSMGGONAJPTB-CQSZACIVSA-N 421.552 1.519 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2cc(Br)cnc2N)cc1 1306139368 IAHDIEFVQRGJFG-UHFFFAOYSA-N 423.292 1.268 30 10 HDEE COC(=O)[C@@H]1CN([C@H](C)C(=O)NC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1308107280 LQIGAPBRHZXIMS-CABCVRRESA-N 420.510 1.279 30 10 HDEE C#C[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1 1309618366 AFZMINNNMMRQIM-SFHVURJKSA-N 410.492 1.740 30 10 HDEE CC(C)C[C@H](NC(=O)N(C)CCOCc1ccc(C#N)cc1)C(=O)N1CCOCC1 1312910978 DPAYDFZUIPZVJA-FQEVSTJZSA-N 416.522 1.990 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc([C@H]2CCOC2)cn1 1314343814 HTTPSAQJCITUCM-KXBFYZLASA-N 403.462 1.657 30 10 HDEE Cn1cc(-c2nnc(N3CCc4nc(O)c(C#N)cc4C3)n2CCCCCCO)cn1 1314901423 JJEBQJZOSXCSJT-UHFFFAOYSA-N 422.493 1.766 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCc1nccs1 1316208565 FPPDFOBDMYEHPE-HUUCEWRRSA-N 406.512 1.820 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)c(F)c2F)CCO1 1316538270 JDAOUJXYAPWCQJ-GXTWGEPZSA-N 420.395 1.618 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3Cc4cccnc4N4C[C@H](O)C[C@H]4C3)CC2)o1 1328451892 URGVTCBLWRIDDO-ZWKOTPCHSA-N 422.489 1.448 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@@H](C#N)C3)n2C[C@H]2CCOC2)n1 1332146107 VHBOQMKRXLCWPA-MJGOQNOKSA-N 410.526 1.353 30 10 HDEE C#CCCCCn1c(-c2ccccc2F)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1358908735 HTXODUPFUKMGFM-OAHLLOKOSA-N 410.453 1.035 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1cnn(CCOC)c1 1358953317 SNNYBTCYHSEZMB-UHFFFAOYSA-N 405.462 1.689 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCC[C@@H]1C 1358979187 FRJILVPXPHOEOP-KSZLIROESA-N 419.551 1.120 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359132042 LLSMXQQHUITFHW-DLBZAZTESA-N 419.526 1.596 30 10 HDEE CC(C)(C)OCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1359584411 AAXBCVZDEXUSPZ-ZDUSSCGKSA-N 402.455 1.550 30 10 HDEE N#CCN1CCC(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)CC1 1359912933 NKOJEDUNDNKTIH-CYBMUJFWSA-N 416.956 1.659 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)nn1 1435322154 HGBOSBAJUSERTR-UHFFFAOYSA-N 415.494 1.838 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C 1439977677 FJPWVNSTUINROE-OAHLLOKOSA-N 402.520 1.771 30 10 HDEE COc1ccc(C(=O)N[C@H](C(=O)N2CCN(C(=O)CC#N)CC2)c2ccccc2)cc1 1445690951 PIOMNABHDOFOGI-NRFANRHFSA-N 420.469 1.751 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2ccn(-c3cccc(C#N)c3)n2)cn1 1449502525 BRIPNOFEFFDGNH-SFHVURJKSA-N 403.446 1.512 30 10 HDEE N#C[C@@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1449520269 NEDWGZXQBYTGMK-ZSDSOXJFSA-N 421.453 1.371 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C2(C)C)c1 1452713068 LPNBCPRZLBZJGB-MSOLQXFVSA-N 407.536 1.380 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)CC1 1458559801 ZOAZDHKUGWLABZ-UHFFFAOYSA-N 401.448 1.246 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C1 1461135256 QPRYBDIJBJQWPK-KRWDZBQOSA-N 419.547 1.649 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1)C1CCOCC1 1464122868 KDLHMOGAKIGPBB-OAHLLOKOSA-N 404.485 1.294 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)ccc2c1=O 1467806738 CRVSNDRUUOCGLW-GJZGRUSLSA-N 400.504 1.152 30 10 HDEE CC[C@@H](NC(=O)N1CCC(C#N)(C(=O)OC)CC1)c1ccccc1OCC(=O)NC 1468086241 BILYPOXMJAKTGZ-MRXNPFEDSA-N 416.478 1.751 30 10 HDEE CNC(=O)[C@H](CNC(=O)NCc1nc(C#N)cs1)Cc1ccc(OC)c(F)c1 1470622568 KREXNOONJXSEEN-LBPRGKRZSA-N 405.455 1.567 30 10 HDEE CCOC(=O)C1([C@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 1472167735 BTTNTXOCPQSSAY-HNNXBMFYSA-N 422.503 1.338 30 10 HDEE CN(C)S(=O)(=O)c1ccc(F)c(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1472224457 AORXCQWYVMULJV-UHFFFAOYSA-N 408.480 1.790 30 10 HDEE C=CCN(C(=O)Nc1ccc(C(=O)N=S(C)(C)=O)cc1)[C@H]1CCS(=O)(=O)C1 1477058336 NLLVGFUHBHMISG-HNNXBMFYSA-N 413.521 1.761 30 10 HDEE CN(c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O)[C@@H]1CCSC1 1503437031 YVBMHBWEVKKQAD-VFYFULIZSA-N 418.523 1.598 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1507621979 DNNPIFGMWIJJPS-QGZVFWFLSA-N 404.540 1.623 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCC(=O)N(C)C)CC1 1507739121 MZGWUPGPFDGQGO-UHFFFAOYSA-N 402.543 1.311 30 10 HDEE CCCNC(=O)CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1515078903 NOFLMFQHACQQBI-WOJBJXKFSA-N 422.505 1.677 30 10 HDEE CN(C)CCOCCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C#N)CC1 1517024793 APPULPPZFRDFEY-UHFFFAOYSA-N 403.531 1.109 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1517097633 RWPGCPQXARRXTH-UHFFFAOYSA-N 423.521 1.694 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(-c4nncnn4)cc3)cc2C1=O 1531023107 YYPDLFLZWJBVKK-UHFFFAOYSA-N 400.398 1.646 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC[C@@H](C)C1 1539012404 GAHBXZTYIRKMBM-VSZNYVQBSA-N 407.584 1.759 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1539260619 RZDGRYZZSKYBLQ-FQEVSTJZSA-N 413.485 1.595 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1539429885 FSJWBGAWKAOCLK-MSOLQXFVSA-N 402.543 1.042 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCN(CC)C2)CC1 1539453421 KTVFAJHPRJNWOR-HXUWFJFHSA-N 422.577 1.975 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CCOC)[C@H](C)C1 1539512523 DRUUZDRMCIHHAN-QGZVFWFLSA-N 402.568 1.807 30 10 HDEE C#CCSCCn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539519175 DMJXOHYONCLRKP-GOSISDBHSA-N 410.547 1.758 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C)nnc1N1CCN(Cc2nc(COC)no2)CC1 1539619481 GETZNDCXYXLVKG-VQIMIIECSA-N 417.514 1.419 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1539916349 KFHJXYMGSSHIKV-LSDHHAIUSA-N 409.556 1.449 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1540027215 SCIWMPHLJCCPJQ-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](OC)[C@@H](C)CC 1540074386 YGTCPYYWVCNEFB-JYJNAYRXSA-N 415.560 1.294 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@@H]2CNC(=O)c2ccc(Br)cc2C#N)C1=O 1540145576 YOAZEEJSYQIFER-PIGZYNQJSA-N 405.252 1.771 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2COCCO2)C1 1540883725 DHOYJWRPUKWWGS-OPYAIIAOSA-N 422.526 1.515 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN2CCCS2(=O)=O)C1 1540888415 PCFXWEJSNFFEBD-SFHVURJKSA-N 417.535 1.762 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1=CCCCC1 1541115951 HJKZLRJHIAUNCV-WBVHZDCISA-N 422.555 1.707 30 10 HDEE CCCN1CCC(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)CC1 1547168279 KAKQXISMDDUHDF-PKOBYXMFSA-N 420.558 1.853 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC1(O)CCOCC1 1554469568 BMCBPDOIDDXZOV-UHFFFAOYSA-N 412.494 1.321 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N(C)C[C@H](C)C#N)CCOCC1 1555682168 DEDBVPRRACSOOF-SJORKVTESA-N 407.515 1.590 30 10 HDEE O=C(CC(F)(F)C(F)F)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1556264275 BANSMGJGPGLSBH-UHFFFAOYSA-N 403.320 1.254 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C)C(=O)OC 1561512051 LTVYZOYRJHXBBD-KRWDZBQOSA-N 407.492 1.571 30 10 HDEE N#Cc1cccc(NC(=O)NCc2ccccc2OCC(=O)NC[C@H]2CCCO2)n1 1562988794 DCUZKTFPADWMSD-QGZVFWFLSA-N 409.446 1.949 30 10 HDEE C#CCN1CCC[C@H]1C(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1569108828 FCWDMZAYLZIVHO-PBHICJAKSA-N 409.324 1.823 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)nn1 1570505690 OZJYXFGVEDQLGQ-UHFFFAOYSA-N 417.516 1.934 30 10 HDEE C#CCN(C(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C)[C@@H]1CCCc2ccccc21 1585189545 PSCJAASSEOFMAV-GOSISDBHSA-N 404.470 1.729 30 10 HDEE C=CC1(CC(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CN(C(=O)OC(C)(C)C)C1 1587724319 WUYRSSVKRHXSHC-MRXNPFEDSA-N 420.554 1.611 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N(C)CCCNC(=O)C1CCC1 1587798892 VDYXGTXNWYNOJK-UHFFFAOYSA-N 400.527 1.670 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588045879 SFMXOTDUTODJFA-QGZVFWFLSA-N 416.551 1.006 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1588045947 UMMAWGKCNCIBPM-MRXNPFEDSA-N 417.535 1.518 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](OC)C(C)C)[C@H]1CCS(=O)(=O)C1 1588053321 CKENWZFJLMRIFI-OKZBNKHCSA-N 424.567 1.817 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC1(COC)CCOCC1 1588090588 YTDARQSXHKXIJL-JOCHJYFZSA-N 416.522 1.446 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1Cc1cccnc1OCCOC 1588121105 ZGVLUBVLYAQZQD-UHFFFAOYSA-N 404.474 1.825 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC(=O)NCC(F)(F)F 1588167161 YUIWPNMORXPDGB-UHFFFAOYSA-N 423.370 1.748 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1C[C@H](N1CCOCC1)C(F)(F)F 1588213946 BPFZSVDAPCNMLB-KRWDZBQOSA-N 420.439 1.999 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC2CCN(C(=O)OC)CC2)CC1 1588801154 WTUUJTLGZXNBHY-UHFFFAOYSA-N 411.510 1.507 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1589544584 IWQJPXGIUJFCHM-GHTZIAJQSA-N 418.586 1.812 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1589559537 SSPKBKZKEUJLKZ-WOCWXWTJSA-N 404.511 1.572 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@@H]3[C@@H]3CC[C@@H](COC)O3)cc2C1=O 1611079038 SOPUOUPIYMDGSG-IPELMVKDSA-N 414.458 1.504 30 10 HDEE N#Cc1cn(CC(=O)NCCCCc2nc(-c3cccnc3)cs2)c(=O)nc1O 1611529830 CTARSENYBIEGBP-UHFFFAOYSA-N 410.459 1.478 30 10 HDEE COc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H](C)CC#N)cc1F 1619271274 AQYPPRSIZUICRA-STQMWFEESA-N 424.502 1.823 30 10 HDEE COC(=O)[C@H]1C[C@@H](O)CN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1 1619743582 BJPIWGGMRWLLQX-RBUKOAKNSA-N 424.501 1.819 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCN1CCCC[C@H]1C 1620024155 DUKZVNORUWELQM-GUDVDZBRSA-N 420.558 1.995 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2ccccc2Br)CC1 1623499110 QAMKHLAZUNLCNV-UHFFFAOYSA-N 414.250 1.435 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCc3nc(C)ncc3C2)s1 1624126838 PFGDBILSWLDERU-CQSZACIVSA-N 406.533 1.527 30 10 HDEE N#Cc1c(CCCNC(=O)c2cccnc2OCCO)nn(-c2ccc(F)cc2)c1N 1624379958 HYJCFGCSSLGQFN-UHFFFAOYSA-N 424.436 1.594 30 10 HDEE C#CCN(CC(=O)NC1CN(c2ccc(C(=O)OCC)cn2)C1)C(=O)OC(C)(C)C 1624995262 LCJNAQOQQFMOEW-UHFFFAOYSA-N 416.478 1.433 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2ccc(C#N)cc2)C1 1625807606 FJOFCUFFNSWKJE-MRXNPFEDSA-N 407.492 1.712 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cn3nnnc3-c3ccccc3)C2=O)cc1 1626699741 BUAMHTRFHPCYQQ-SFHVURJKSA-N 401.430 1.129 30 10 HDEE Cc1ccc2nnc(CNC(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)n2c1 1626871742 OPCHWUKZYSJZGM-ZDUSSCGKSA-N 412.475 1.171 30 10 HDEE COc1cc(CNC(=O)C2=NOC3(C2)CN(C(=O)OC(C)(C)C)C3)ccc1C#N 1626973401 VMIDMCXIXKQRNG-UHFFFAOYSA-N 400.435 1.949 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 1627905585 KCFPYFFUZIUXNA-DLBZAZTESA-N 422.526 1.813 30 10 HDEE Cc1ccc(C(=O)NCCC(=O)N2CCN(C)CC2)cc1B1OC(C)(C)C(C)(C)O1 1628312469 ISTLIFOGGJLGRB-UHFFFAOYSA-N 415.343 1.188 30 10 HDEE C#CCN(CC#N)C(=O)CNS(=O)(=O)c1ccc(SCC(C)C)c([N+](=O)[O-])c1 1634808730 ZGWKWSWDFZGDMV-UHFFFAOYSA-N 424.504 1.607 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CC4(CCOCC4)CO3)C2=O)cc1 1634918557 JLOSZFFLOGNOBO-MOPGFXCFSA-N 412.490 1.544 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)c1 1635567222 OIZMKEBWXRIKSC-RVWIWJKTSA-N 400.500 1.973 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OC[C@H]3CCCO3)CC2)c1 1635808535 KCGNLZSCEPSVOZ-OAHLLOKOSA-N 410.467 1.923 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H]2C[C@]2(C)NC(=O)NC2=O)CN(C(=O)OC(C)(C)C)C1 1636336887 SHMNZJPNFUNTIJ-VLIAUNLRSA-N 420.510 1.779 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@]1(C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1636785701 FXBRPQIRWMHMJM-ZOCZFRKYSA-N 416.478 1.693 30 10 HDEE CC(C)(C)OC(=O)[C@@H]1CCC[C@@H]1NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1636964763 KFPDAASWWZWQEP-OCCSQVGLSA-N 407.492 1.352 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)c1 1637910153 DVUKZBYNVQWLCV-KRWDZBQOSA-N 403.391 1.600 30 10 HDEE Cn1ccnc1[C@@H]1C[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCO1 1638949196 OHDFSOBXRGWKJI-WBMJQRKESA-N 406.439 1.507 30 10 HDEE Cn1cc(-c2cncc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)c2)cn1 1639049952 OEWFFCUCUITCPU-UHFFFAOYSA-N 405.414 2.000 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)n1 1639991776 FMXQFRKNMSWUSH-IBGZPJMESA-N 403.504 1.320 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1C[C@H](O)CN1C(=O)Cc1ccccc1F 1640924430 LTKALOSIYVGAFE-WMZOPIPTSA-N 418.465 1.134 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCOc2ccccc21 1645316846 YTFAQKOSNQYXDG-OAHLLOKOSA-N 401.463 1.835 30 10 HDEE CCCNC(=O)Nc1ccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1648155855 PLXFBWKLEBHEQA-HNAYVOBHSA-N 404.492 1.157 30 10 HDEE C#CCOCCN(C)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1649057878 WJIZGYPDUOPZPO-UHFFFAOYSA-N 403.298 1.178 30 10 HDEE N#Cc1cnnc(N2CCN(C(=O)c3ccccc3I)CC2)c1 1650659558 ZCDXKDHZAUHGIC-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)[C@H](CO)C1 1653462643 JGIXPKIJUVYNIN-DOTOQJQBSA-N 413.430 1.909 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)[C@H](C)C(=O)NCCc1ccc2c(c1)OCCO2 1654152245 MJEUIJPIZJPHPY-MRXNPFEDSA-N 402.491 1.782 30 10 HDEE CC(=O)c1cn(C2CN(S(=O)(=O)c3cc(Br)ccc3C#N)C2)nn1 1664732836 LNUCXOXKAVAWPB-UHFFFAOYSA-N 410.253 1.360 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cnn(C)c1Br)C(=O)OCC 1670887081 RNZIHJXEEUDZCR-QMMMGPOBSA-N 400.682 1.535 30 10 HDEE C=CCc1cc(CNC(=O)N2CCC3(CC2)C[C@H](O)CNC3=O)cc(OC)c1OC 1676275039 MVVQJTSIEAGEQG-KRWDZBQOSA-N 417.506 1.605 30 10 HDEE C#Cc1cccc(CNC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)c1 1678737401 OVFRQSYMGVHPDH-HXUWFJFHSA-N 420.517 1.763 30 10 HDEE CON(C)C(=O)[C@H](CCSC)NC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1680657338 SGWXYWHFLOPZLU-KRWDZBQOSA-N 405.524 1.531 30 10 HDEE CN(C)CC#CCNC(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1684868913 GWZHLPMAWFRRSD-UHFFFAOYSA-N 418.972 1.373 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1689892584 IORAZJVWWBKPEY-ULQDDVLXSA-N 421.567 1.507 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](OC)c1ccc(F)cc1 1690101996 AAOHDBMQWVULQZ-QZTJIDSGSA-N 415.469 1.842 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cn3ccc(C)cc3n2)CC1 1690110661 VPXXHGASHCVRDF-UHFFFAOYSA-N 420.521 1.176 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N(CCCCO)C1CC1 1690245790 MZVAEKUACDYWNN-SUMDDJOVSA-N 403.527 1.952 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2CCNC(=O)C(C)(C)C)CC1 1690414995 TUGVLQAYJHTHFG-UHFFFAOYSA-N 402.543 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](OC)C1 1690723353 OYLWUWIISDHIOU-MRXNPFEDSA-N 405.524 1.865 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)C1 1698482614 FTSSOZTUWCWPON-IFXJQAMLSA-N 415.429 1.173 30 10 HDEE C#CCCCn1c(N2CCN3C(=O)OC[C@@]3(C)C2)nnc1[C@]1(OCC)CCOC1 1705538933 DWZNBAPXRCWUQZ-UXHICEINSA-N 403.483 1.375 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCNC(=O)C(C)C)[C@H]1CCS(=O)(=O)C1 1705559678 DUHZMJLVRGKNFC-INIZCTEOSA-N 409.556 1.191 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(Cl)cc1OC)[C@H]1CCS(=O)(=O)C1 1705561777 UATRBVJMISVZGZ-INIZCTEOSA-N 408.911 1.924 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1705632041 GJJPCUZNRDZBNV-JTSKRJEESA-N 416.570 1.503 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2C[C@H](C)O[C@H](C)C2)CC1 1705641530 JDCXMLMBUSNYSJ-KDURUIRLSA-N 414.598 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H]2COCCO2)CC1 1705646412 FBHCDZUWNATDFQ-QGZVFWFLSA-N 413.478 1.228 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCOC[C@H]2C)CC1 1705649151 MHUYPAIORJCBQI-SJLPKXTDSA-N 410.522 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(OC)c2)nnc1N1CCC(CO)CC1 1705931578 UKCFKMNWSCYSEY-UHFFFAOYSA-N 420.535 1.763 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705943708 ITUIDBQETQWOQA-QGZVFWFLSA-N 416.551 1.909 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(CC(F)(F)F)C1 1706747824 COZFMXMCIDAUQP-HZSPNIEDSA-N 413.448 1.852 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1706751906 WPCYUFMFSWKIHE-JKSUJKDBSA-N 410.478 1.979 30 10 HDEE CCNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1710316717 GCGQVJRZOVZEDO-AVYPCKFXSA-N 422.505 1.606 30 10 HDEE COC[C@H](F)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1712172835 CKADNMOQWHNOJN-GDBMZVCRSA-N 414.489 1.907 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCn1cc(Br)cn1 1722294481 WTCHFNREJUMDSB-YPMHNXCESA-N 406.288 1.346 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1722433184 OHLKNISGUPIASJ-NQIIRXRSSA-N 405.543 1.356 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1722466063 YMPKJUUCBHCHLE-HDICACEKSA-N 416.503 1.794 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(C)=O)CC1 1722588036 ILQAWZBPJMEZBV-INIZCTEOSA-N 423.583 1.887 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CN(CC(C)C)CCO1 1722671138 JVRIATRSKLRFOA-QZTJIDSGSA-N 402.543 1.764 30 10 HDEE CC(C)(Cn1c(-c2cnccn2)nnc1N1CCC(CC#N)CC1)N1CCOCC1 1723033824 IBOIUNRMVCMXKM-UHFFFAOYSA-N 410.526 1.976 30 10 HDEE CCn1cnnc1Cn1c(CC(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1728541220 HWVXREGOGQFYML-UHFFFAOYSA-N 420.525 1.730 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CC(=O)NCC1CC1 1729408420 DFHJIASCQANFIC-UHFFFAOYSA-N 404.478 1.713 30 10 HDEE Cn1ccc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCC[C@H](C(N)=O)C2)n1 1729581571 GNSXOCHZQRSJSX-KRWDZBQOSA-N 404.478 1.495 30 10 HDEE COc1ncccc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C#N)C1 1730345646 DAVMLHZPECBMTH-SFHVURJKSA-N 401.430 1.997 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1730498890 TYMNMUKOESRGQM-GOEBONIOSA-N 416.457 1.380 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CC=CCO2)cc1 1731185082 PNUVZSAPBLRZCC-RBUKOAKNSA-N 406.446 1.803 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cc(C)ccc2C)n1CCS(=O)(=O)N(C)C 1740558539 WMAGDXVLGULUQU-KRWDZBQOSA-N 419.551 1.823 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2Cc2nncn2C)c1 1740564702 VJGUIVLDWMQBSZ-UHFFFAOYSA-N 404.478 1.464 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1740565355 SSVJTWAIESDIGK-NRFANRHFSA-N 400.527 1.859 30 10 HDEE C#CCN(C)c1nnc(-c2cccc3cccnc23)n1CCCNS(=O)(=O)CC 1740606078 PICXVTRKVTWXCM-UHFFFAOYSA-N 412.519 1.892 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCOC1 1740688192 NLXNUCAXFFCUNL-QFIPXVFZSA-N 414.506 1.711 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1740711768 UZSWEFNADULDHR-UHFFFAOYSA-N 401.511 1.983 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1740712497 KGNAFVZNBPRWJN-LJQANCHMSA-N 408.531 1.704 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1740826937 CPHAVLMEGZMHAG-KRWDZBQOSA-N 416.551 1.702 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1740885770 NQERMBACNODQMH-UHFFFAOYSA-N 418.542 1.713 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(CC)CC1CC1 1740959853 FZEQDLDZGTXAPI-UHFFFAOYSA-N 424.553 1.991 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCCN(CCC)C(=O)C1 1740962021 PLMPUUFKUJQRFG-UHFFFAOYSA-N 411.510 1.015 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(C)CC1 1741801439 AQBSKZFDWOKYRW-LSDHHAIUSA-N 410.544 1.540 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(O)cc1 1741930474 GHFZXDLIAPBTFX-AUUYWEPGSA-N 418.523 1.772 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1748076075 HICVCJXMQCBLMP-AWEZNQCLSA-N 409.494 1.256 30 10 HDEE CNC(=O)CCn1c(-c2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748273208 WKLRIABVUITRQN-UHFFFAOYSA-N 404.434 1.011 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)NC(C)C 1748828733 KDDOVVAJZVAHJT-UHFFFAOYSA-N 417.311 1.644 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2C)n1CC1(C(N)=O)CCOCC1 1748894892 JNWOJPFPMGZGTP-UHFFFAOYSA-N 419.529 1.922 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCC(F)(F)F)CC1 1748989495 MMFQDBRENWYFMS-AWEZNQCLSA-N 419.473 1.278 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@]2(N(C)C)CCSC2)CC1 1749000012 JROKGUBZVXXWIT-YLJYHZDGSA-N 404.584 1.322 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)no2)CCO1 1750013390 FXCWDEQJRVJEBW-LJQANCHMSA-N 421.461 1.503 30 10 HDEE Cc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1751602703 WYMCYNJRNUYWKG-AOMYARPXSA-N 420.477 1.771 30 10 HDEE C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CCCO1 1752355504 UHMQJXCQZWJFIQ-KBPBESRZSA-N 405.480 1.308 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@](C)(O)CCOC 1760170397 ATDDZUHZHFSOCM-NRFANRHFSA-N 410.478 1.049 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCc1cnn(C)n1 1760246009 QEXKXHPVBLNSQV-UHFFFAOYSA-N 423.477 1.521 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCc1nnc2n1CCCCC2 1760247965 WLBSZVQLLCHJQU-UHFFFAOYSA-N 423.525 1.325 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2C[C@@]2(O)CCSC2)n1 1760252853 SGDMKXAXKTWSSM-IBGZPJMESA-N 404.540 1.191 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC2([S@](C)=O)CC2)CC1 1760262534 PIHCQDAGXOADCX-LJAQVGFWSA-N 411.575 1.844 30 10 HDEE C=CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)CC1 1760431132 FISDDBGSHXUONQ-UHFFFAOYSA-N 412.560 1.244 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC)C1CC1 1760472928 HXTQFUPIECGUIW-UHFFFAOYSA-N 407.478 1.483 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1760518371 SIAHSWGLZGHODW-AWEZNQCLSA-N 421.523 1.125 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1760520617 UKAHBFWUOUIUCR-QGZVFWFLSA-N 409.538 1.953 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CCCNC(C)=O)C1 1760537188 KVOYSQBMOQLAFL-QGZVFWFLSA-N 413.478 1.981 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCOC(C)C)CCO1 1760666534 HUBCHEHCMOZNRY-LJQANCHMSA-N 412.494 1.583 30 10 HDEE CC(C)C(=O)NCCCn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1760848254 UPZXABKUULIPCF-LJQANCHMSA-N 410.522 1.954 30 10 HDEE CC[C@@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1763389195 NELJNKRTUSBBQX-FGZHOGPDSA-N 424.505 1.749 30 10 HDEE CC[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1763389316 NELJNKRTUSBBQX-VXKWHMMOSA-N 424.505 1.749 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 1767843365 GHFDSFILGUQARH-WMLDXEAASA-N 418.523 1.227 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOCC2CCOCC2)C1 1770726821 AIHOKBXKWWFQJN-JXFKEZNVSA-N 420.489 1.504 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(CCc4ccccc4)C3)CO2)nc1 1851778876 VLPWAOPYMFCYIW-OALUTQOASA-N 406.442 1.708 30 10 HDEE Cn1nc(-c2cccnc2)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852051067 BEBZNTJHLHNUOP-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE O=C([C@H]1CCC(=O)N1c1ccccn1)N1CCCCC1=NS(=O)(=O)C(F)(F)F 1852068041 QDOLYWMVIYMCII-LLVKDONJSA-N 418.397 1.838 30 10 HDEE CC(C)N(CC#CCNC(=O)c1ccc(N2C(=O)CS(=O)CC2=O)cc1)C(C)C 1852756247 ZETSKAPXHNDELI-UHFFFAOYSA-N 417.531 1.161 30 10 HDEE Cc1ccc(S(=O)(=O)N=C(NOCCN2CCOCC2)c2ccncc2)c(C)c1 1853503674 NJWJKWAQKPOKEJ-UHFFFAOYSA-N 418.519 1.687 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCN([C@H]3CCN(C[C@@H]4CCOC4)C3)CC2=O)cc1 1853659621 LWGVKBMBHKMQBH-SFTDATJTSA-N 410.518 1.272 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1noc(C2CCOCC2)n1 1853739339 PWYPTHROHFBRAV-CQSZACIVSA-N 409.446 1.708 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccncc3)C3(CCCCC3)C2=O)CC1=O 1853908771 AIYHSDYLZGYORC-LJQANCHMSA-N 410.518 1.990 30 10 HDEE Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c(C)c1 1853948418 MXNFXIVAEOZLKU-UHFFFAOYSA-N 411.483 1.777 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1=O 1854024165 TUQPWIQHXBAEIR-UHFFFAOYSA-N 413.455 1.630 30 10 HDEE CN(C)c1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)cc1 1854037715 LOQWUZHCHBOWMW-UHFFFAOYSA-N 412.471 1.298 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)COc3ccc4c(c3)OCO4)C(=O)C2)C1 1854213804 WYRZCXJOTUQIFK-MRXNPFEDSA-N 401.463 1.115 30 10 HDEE C=CCN1CCN(C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)C(=O)[C@H]1C 1854330540 MESWHSGQKIYTKN-QGZVFWFLSA-N 419.547 1.966 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCCCN(C(=O)c3cncnc3)C2=O)CC1 1854745811 DPDQDBLQMOJTLT-GOSISDBHSA-N 405.462 1.087 30 10 HDEE CN1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)[C@@H](C2CCOCC2)C1 1855104232 MJBGGPJNYNEFEA-VQTJNVASSA-N 411.506 1.127 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(CCC#N)C(C)(C)C2=O)cc1 1855896228 PPSOCEJBYJJEHW-UHFFFAOYSA-N 407.492 1.222 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2cccc3ccccc23)CCN1S(=O)(=O)CC#N 1856107921 MABMUNXKWCYYAA-UHFFFAOYSA-N 415.471 1.521 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)CCC2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1856266680 KRSIVNKDGLCPAN-KRWDZBQOSA-N 410.522 1.814 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2ccnc(OC)c2)C1)[C@@H]1CCN(C)C1=O 1857046671 UBCUUHWPFYTTRH-NVXWUHKLSA-N 400.479 1.188 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)Cc1ccccc1F 1857109896 HMKXVTOJDAHESQ-AWEZNQCLSA-N 415.446 1.900 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)[C@@H](C)C1=O 1857110198 SZOHDLDPIMAIJH-AWEZNQCLSA-N 408.476 1.562 30 10 HDEE N#Cc1ccc(NC(=O)c2nc(C(=O)N[C@@H]3CCS(=O)(=O)C3)n3ccccc23)cc1 1858245489 ZOYITVMSNREOAV-OAHLLOKOSA-N 423.454 1.375 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1858645784 SMQJCLSMEOWCJB-UHFFFAOYSA-N 418.431 1.699 30 10 HDEE COc1cc(C(=O)NCC(=O)N2CCn3c(C#N)ccc3[C@@H]2C)cc(OC)c1OC 1866302969 OTJUXIWHTKWBPX-ZDUSSCGKSA-N 412.446 1.719 30 10 HDEE CCOc1ccc(-c2nc([C@H](C#N)C(=O)CN(CCO)CCO)sc2C)cc1 1872800392 SSSKHGGQGAYWHI-QGZVFWFLSA-N 403.504 1.980 30 10 HDEE Cc1ccc(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1C 1889396924 NPLBLDHCNHPUQK-UHFFFAOYSA-N 413.562 1.941 30 10 HDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985193474 DWFDYKAPPAAIOC-RBUKOAKNSA-N 415.538 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CCC(CNC(=O)C#CBr)CC2)C1 2022780498 RHRYLCQRLJWHRW-UHFFFAOYSA-N 400.317 1.790 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1S(=O)(=O)c1cc(C#N)ccc1Cl 2187583804 MZHGTWHEDAHYQQ-STQMWFEESA-N 415.899 1.860 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)CSC1CCN(C(=O)OC(C)(C)C)CC1 2199870222 VBFXHUGEGKXBOR-IBGZPJMESA-N 400.541 1.895 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)CC1 2243677264 UEQHKLHTPXZUKB-UHFFFAOYSA-N 407.320 1.290 30 10 HDEE Cn1cc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247816480 CVJFSPGPYBCJIK-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829043 QXJXGINGHSUHKK-CYBMUJFWSA-N 420.319 1.838 30 10 HDEE CC(C)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@@H]1C#N 2258198613 DSFDAXMUFANYHB-GFCCVEGCSA-N 411.430 1.872 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H](CO)C3CC3)cc2Cl)OC1(C)C 2267355571 VCPVQIFZUWXBJV-NSHDSACASA-N 407.750 1.750 30 10 HDEE C[C@@H]1CNCCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267709460 CDDUSUQZNWBIBX-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE C#Cc1cccc(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2270524448 LNSBLKVQMZYRNV-SFHVURJKSA-N 416.455 1.467 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1ccc(C#N)cc1)NC(=O)OCc1ccccc1 2270533632 JFTNWENVBSDMSX-QGZVFWFLSA-N 417.443 1.768 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@@H]2CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282318038 CHRVPFVEKJDOAO-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)nn2C)CS1 2282329442 MFDOIRNWPPRUAT-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(CN)CCCC3)c2)OC1(C)C 2282340410 FQUIDFUARUGGLD-UHFFFAOYSA-N 400.375 1.845 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@](C)(O)CC2)OC1(C)C 2282341048 MXUNSJCGNLEDJG-KRWDZBQOSA-N 401.359 1.973 30 10 HDEE C[C@@H]1OCCO[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282408795 KTRZBRSUTMGRCO-WCQYABFASA-N 403.331 1.130 30 10 HDEE C[C@H]1CNCCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282492172 QDNSVRKZSIZJSX-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CCN(C)C2)c1B1OC(C)(C)C(C)(C)O1 2282494607 ZZKSJCURJYURFK-ZDUSSCGKSA-N 400.375 1.647 30 10 HDEE CC1(NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCNCC1 2282506079 MXUFLJCYXQCUCU-UHFFFAOYSA-N 400.375 1.609 30 10 HDEE COc1cc(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)sn1 2282509413 KJOCLDBEEGPEIC-UHFFFAOYSA-N 417.343 1.849 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCC[C@@H]2C2OCCO2)c1 2282555112 NUFLOFCVFRWVFZ-QGZVFWFLSA-N 403.284 1.972 30 10 HDEE C[C@@H](CNC(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1Cl)S(N)(=O)=O 2282574597 QTSSCWSNNBQKML-JTQLQIEISA-N 402.709 1.046 30 10 HDEE CC(C)[C@@]1(O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282848371 MTDSPQZSCBXGAM-QGZVFWFLSA-N 401.359 1.829 30 10 HDEE C[C@H]1C[S@@](=O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282870718 WTGNAOIHZPNUJF-VDBVYFBLSA-N 419.399 1.330 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCC[C@@H]2N)OC1(C)C 2282874496 BFLBARQJFXYWPK-JSGCOSHPSA-N 400.375 1.594 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](C(=O)O)C1CC1 2284396066 BCRBKUIAXDVIJE-ZDUSSCGKSA-N 401.315 1.497 30 10 HDEE C[C@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284397054 HUKHCKINVYEXEH-JQWIXIFHSA-N 401.315 1.531 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H]1C[C@@H]1NC(=O)OC(C)(C)C 2300272979 AWTJKGHFKMQBLK-OLZOCXBDSA-N 420.319 1.362 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@@H](O)c1nc(Br)nn1CCOC 2307985077 VCCUFNUPYNKPOH-WDEREUQCSA-N 403.277 1.637 30 10 HDEE COC(=O)CSc1nnc([C@H]2CC(=O)N(C(C)(C)C)C2)n1N=Cc1cccnc1 2327876580 XMILJRZUJUBKOY-AWEZNQCLSA-N 416.507 1.935 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CSCCN1C(=O)OC(C)(C)C 2342051050 JNULBSSCNZXXAB-CABCVRRESA-N 402.582 1.898 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1OC 2365201569 AETTYNKCQKRTKF-BZUAXINKSA-N 402.557 1.673 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)O1 2367785497 DWCGVTMTCZULSS-CABCVRRESA-N 400.541 1.570 30 10 HDEE COC1CC([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)(N(C)C(=O)OC(C)(C)C)C1 2367799138 XVOXEDBSSBRLBB-HVEKOLDVSA-N 400.541 1.699 30 10 HDEE CO[C@H](C1CCN(C(=O)OC(C)(C)C)CC1)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367803421 KSVHBKAMKXRUPW-JKSUJKDBSA-N 400.541 1.556 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)[C@](C)(O)C(=O)C#CC1(S(C)(=O)=O)CCC1 2367854671 AJSXQSFZUBNVEB-MAUKXSAKSA-N 401.525 1.827 30 10 HDEE COc1cccc2c(C)cc(-n3ncc(C#N)c3NC(=O)C3=NNC(=O)CC3)nc12 170509550 PZLQLUJZAJPTRZ-UHFFFAOYSA-N 403.402 1.814 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C=O 257505858 ORDKVFHKMGUXSQ-AQZPWELQSA-N 404.459 1.609 30 10 HDEE biogenic C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)CC1 462532658 QRDHRZTUXQHHER-OAQYLSRUSA-N 412.534 1.710 30 10 HDEE CCOC(=O)C[C@H]1C[C@H](OC)CN1C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 479052607 DUQZTLWTPKUBFM-SJORKVTESA-N 408.476 1.042 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 505799678 UPENCLMFIWWVOX-HXUWFJFHSA-N 401.467 1.091 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 506940295 RRUMKJJZVOFUEN-UHFFFAOYSA-N 412.457 1.771 30 10 HDEE COc1ccc(-c2nnc(N3CCN(c4c(C#N)c(C)nn4C)CC3)n2C)c(OC)c1 508432784 IABQHECMMFYRGV-UHFFFAOYSA-N 422.493 1.740 30 10 HDEE C=CCOc1ccccc1CNC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 513778972 WOIVIZZHTLEXAE-UHFFFAOYSA-N 408.458 1.689 30 10 HDEE C[C@H]1CCCCN1C(=O)CN1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513790553 ZMMBIYMBRDIUEF-SFHVURJKSA-N 418.563 1.351 30 10 HDEE CCN1CCN(c2ccc(CNS(=O)(=O)c3ccc(C#N)cc3F)cn2)CC1 524149153 CTXYLFSFVQSMCF-UHFFFAOYSA-N 403.483 1.713 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2cnn3cc(Br)cnc23)CC1 536690817 BTLWKGUIRXBFNH-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE COc1cccc([C@H]2CN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)CCO2)c1 538148714 BOASGHPSOXIXOJ-NHCUHLMSSA-N 400.523 1.761 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 543890595 WMVUJSSFFNVIHL-UHFFFAOYSA-N 402.842 1.720 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)NCCOc2ccc(C#N)cc2)c1 568575302 HJQBJDFIVHRQKK-UHFFFAOYSA-N 401.444 1.234 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 609228505 WQIMQLHUJFKJSO-HNNXBMFYSA-N 415.471 1.985 30 10 HDEE C=CCN(c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1)C1CC1 642432832 PDZGQRJBVSAYMB-SFHVURJKSA-N 417.535 1.814 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2C2CC2)c(=O)n1CC(N)=O 674333717 FVIYHRPGJNMYRP-UHFFFAOYSA-N 407.495 1.145 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\c2ccc(C)cc2Br)CC1 728536268 QZQBORQJOXEKNP-SREVYHEPSA-N 404.308 1.664 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N\CCc2ccccn2)N(C2CCCC2)C1=O 730145036 VGDYQSQKNWMCRG-YQMDHOPXSA-N 417.579 1.935 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1 732440917 CQPJXVLCWVYEQC-DVSFIDLUSA-N 414.462 1.895 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCC[C@H](CN2CCCCCC2)C1 732464968 AVZYDYXRTBJDBL-FTHOYRMOSA-N 403.527 1.810 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CCN1C1CC1 732697442 YUJOXSMHNWLEDS-IBGZPJMESA-N 417.473 1.748 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCC1(N2CCSCC2)CCCCC1 732703167 ABDXHQDYQLWDHC-ISLYRVAYSA-N 421.567 1.564 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc(-c2nc[nH]n2)c1 733979689 BSYGHJPHWQSXGM-UHFFFAOYSA-N 410.459 1.929 30 10 HDEE CCN(CC)S(=O)(=O)N1CCN(Cc2cc(Cl)ccc2OCC#N)CC1 735306706 RMJPEXRHPCEAHP-UHFFFAOYSA-N 400.932 1.947 30 10 HDEE Cc1c(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1S(=O)(=O)NC1CC1 741073191 WSAVMTNWVVGOMK-MRXNPFEDSA-N 403.508 1.640 30 10 HDEE C[C@@H](OC(=O)CCN/C(O)=C1/N=CC=CC1=O)C(=O)N1CCSc2ccccc21 741339442 GLZGJFPGTQWTQC-LTFJSZEESA-N 415.471 1.974 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCCN(C(=O)c2ccccc2F)CC1 742176861 SFKYIWRNDYSVGJ-UHFFFAOYSA-N 402.451 1.697 30 10 HDEE C[C@H](CC(=O)Nc1cnn(-c2ccncc2)c1)/N=C1/NS(=O)(=O)c2ccccc21 742621551 QEUMEUNZWQVFFD-CYBMUJFWSA-N 410.459 1.723 30 10 HDEE CN(C[C@@H]1CCCN1C(=O)NCCN/C(O)=C1/N=CC=CC1=O)C(=O)OC(C)(C)C 745812822 DSERHCZPXMBMII-HYEKCJMVSA-N 421.498 1.554 30 10 HDEE CN1CCN(C(=O)CC2CCN(C(=O)NCc3cc(C#N)ccc3F)CC2)CC1 745893601 YUXGTNWNPPWWIE-UHFFFAOYSA-N 401.486 1.783 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(Cl)c2)c(=O)n1CCN1CCOCC1 755628889 NVRAQQVDEBOVGX-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE CN(CCN1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC1(C#N)CCCC1 759021536 XPKXPBGULMHTNF-UHFFFAOYSA-N 414.572 1.885 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 759660690 CEHSYDXUNAKYTC-GOSISDBHSA-N 419.551 1.503 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@H]([C@H](O)C(F)(F)F)C1 765708256 MSKZDOIRAMHWDM-NHYWBVRUSA-N 419.425 1.277 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CSC(=O)N2)CC1 767426739 LZSQUHBIXNPSEG-KGLIPLIRSA-N 409.309 1.983 30 10 HDEE C#CCN(C(=O)NCCCNc1ccc(C(F)(F)F)cn1)[C@@H]1CCS(=O)(=O)C1 774168068 KAKCLJMCTPKOPX-CQSZACIVSA-N 418.441 1.734 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 774229339 VVBGZDMFHBNJFO-HZPDHXFCSA-N 409.895 1.277 30 10 HDEE C#CCN(C(=O)N[C@@H](CCCC)CNC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 774251131 NFTLBZBLHIOCHB-HOTGVXAUSA-N 415.556 1.902 30 10 HDEE N#CCCCS(=O)(=O)NC(=O)[C@H](Cc1cccnc1)NC(=O)c1ccccc1 776121196 ARVGBDKRXYMLNO-KRWDZBQOSA-N 400.460 1.172 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)NCc2ccccc2CN2CCOCC2)cc1 780203235 AXZQROBYYYZOBJ-QFIPXVFZSA-N 423.469 1.283 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2CCC1CC2 787526112 KTAQYUZIRQEFHU-KRWDZBQOSA-N 404.536 1.446 30 10 HDEE C#CCN(C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)[C@H]1CCS(=O)(=O)C1 792275549 LHYZIQNWTFXAGH-PCKAHOCUSA-N 421.485 1.624 30 10 HDEE COCCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(OC)c(C#N)c2)c1 795892225 ATYKURTYMRKZLL-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE C[C@@H](CCNS(=O)(=O)c1ccccc1)NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 801795817 DQWARBBEAOEDHV-DOTOQJQBSA-N 405.524 1.125 30 10 HDEE COc1ccc(C2=NO[C@@H](CNC(=O)N3CCN(c4ncccc4C#N)CC3)C2)cc1 802370889 LMQSHFXLSDTGST-LJQANCHMSA-N 420.473 1.987 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2C[C@@H]2CCCO2)CC1 802681472 CXPIXAMIHOBYJJ-PXNSSMCTSA-N 409.490 1.725 30 10 HDEE CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(C#N)cn2)cc1 814391712 OZYFHECRUFZETL-UHFFFAOYSA-N 408.505 1.366 30 10 HDEE CCO[C@H]1C[C@@](NC(=O)OC(C)(C)C)(C(=O)N2CCN(C(=O)CC#N)CC2)C1(C)C 816289949 DCGBUYJJOCVQSJ-YCRPNKLZSA-N 422.526 1.669 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)c1 918956138 ANSRWNAQCMNKMF-QZTJIDSGSA-N 422.503 1.478 30 10 HDEE C[C@@H]1CN(Cc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cc2)C[C@@H](C)O1 1134057065 ZPEJDQWMGVOECA-IIZJSDIPSA-N 417.531 1.306 30 10 HDEE COC(=O)C[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)(C)C 1134343543 IODONOZOOLIPQE-HZPDHXFCSA-N 414.462 1.857 30 10 HDEE Cc1c(I)cccc1C(=O)NCCn1cc(C#N)c(O)nc1=O 1148392651 CTDCNIYGEZYBRP-UHFFFAOYSA-N 424.198 1.164 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1149468686 DPUSKOBULUOXIT-UHFFFAOYSA-N 414.487 1.419 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)c1=O 1165303311 KTPVVDJSORRZHI-CABCVRRESA-N 406.483 1.047 30 10 HDEE CN1C(=O)NCC12CCN(S(=O)(=O)c1ccc(C(F)(F)F)c(C#N)c1)CC2 1191634609 HNRWXXLJWMOYED-UHFFFAOYSA-N 402.398 1.755 30 10 HDEE N#Cc1ccccc1N1CCC(NS(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1 1193304941 BIUITBGZTUJZFY-UHFFFAOYSA-N 409.475 1.481 30 10 HDEE CC#CC[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1 1214212126 FOFLRKDKAIFUJJ-MRXNPFEDSA-N 406.508 1.833 30 10 HDEE C=CCn1cc(CNC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)nn1 1230727567 BZLAUYAXOLOBIL-UHFFFAOYSA-N 403.918 1.739 30 10 HDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N1CC(Oc2ccc(C#N)cc2)C1 1256287095 YMCGNNDFMYMDKH-UHFFFAOYSA-N 419.478 1.706 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1267417881 QGMKLJGVOQPGOI-UPYGWULESA-N 401.551 1.898 30 10 HDEE C=CCn1cc(CNC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)nn1 1276646038 BVANMKIOCFGHSP-APWZRJJASA-N 401.467 1.810 30 10 HDEE C#CCN(c1nnc(Cn2nc(C)cc2C)n1CCCCC)[C@@H]1CCS(=O)(=O)C1 1286394709 JZMQMZHIPGRUFB-GOSISDBHSA-N 418.567 1.957 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1286399801 OFCUBLAMHICYCX-GOSISDBHSA-N 420.583 1.083 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3F)n2C[C@H]2COCCO2)CC1 1286474809 PYHRFUSABXKHTH-INIZCTEOSA-N 419.888 1.908 30 10 HDEE C=C(Cl)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1286618559 CLZGTLYIKLCIMM-OAHLLOKOSA-N 419.917 1.835 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)N2CCCC2)n1CC(=O)NC(C)C 1286762543 IULIURQMNVPKFC-UHFFFAOYSA-N 414.510 1.867 30 10 HDEE Cc1cc(C)c(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)CC2=O)c(C)c1 1289200956 CVBPZODDBXAHEO-FIKGOQFSSA-N 415.515 1.362 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1297397176 UCUXOENPQNFYFM-DVEDPGPFSA-N 416.526 1.965 30 10 HDEE CN(Cc1ccccc1)C(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C#N)CC1 1298341026 AYQJNLBZNJNZQZ-SFHVURJKSA-N 421.505 1.628 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1299016424 QKMDGRBIWOOBHX-AVRDEDQJSA-N 424.505 1.585 30 10 HDEE COCCCS(=O)(=O)NCC(=O)Nc1cnc(Oc2ccccc2C#N)cc1C 1300233976 YRBMHDNEYDLZRT-UHFFFAOYSA-N 418.475 1.948 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN(C)S(=O)(=O)CC 1300314036 BLYDFNJKBBXHPT-INIZCTEOSA-N 404.540 1.393 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1300382371 RJWWRQUVTWRCHD-MSOLQXFVSA-N 403.527 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CC1([S@](C)=O)CC1 1300665906 SCWGUNWPRLFONJ-LJAQVGFWSA-N 416.503 1.671 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@H]2CCC(=O)N2)n1 1300676058 KZOZYVJIYZDEOP-MRXNPFEDSA-N 413.526 1.337 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cncn2)C1 1300997605 WXHURSGFETXKLU-QGZVFWFLSA-N 414.514 1.426 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1301197519 KPAZVOYHXBPVDD-UHFFFAOYSA-N 405.547 1.966 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)CC(F)(F)F)C1 1301535144 IMGYELSUWZUHNH-AWEZNQCLSA-N 418.464 1.692 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CCCN(CCNC(=O)OC(C)(C)C)C1=O)C(=O)OC 1302429303 NPIGPWJZOFLGSU-LSDHHAIUSA-N 411.499 1.374 30 10 HDEE CC(C)OCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1303542279 WJTFCMWZKMMPCG-QZTJIDSGSA-N 415.542 1.611 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(-c2ccc[nH]2)n1CCCCCO 1305119713 BIULJZSGZQIMEW-MRXNPFEDSA-N 421.509 1.813 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 1307650625 UPQBAMBDMAKKQO-KRWDZBQOSA-N 414.572 1.109 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCc2nc(C(F)(F)F)no2)[C@H](C#N)C1 1312468438 GCHRDPNWYZXEFM-RKDXNWHRSA-N 404.349 1.647 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1 1312786749 AUKVMEDNPXAKCR-UHFFFAOYSA-N 420.579 1.610 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](COCCOC)C1 1315042287 FSBJSKICKXEUTC-QGZVFWFLSA-N 412.494 1.442 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(COC)cc1 1316208389 DSSWUWYCSLGNPJ-APWZRJJASA-N 415.494 1.926 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCS(=O)(=O)C1 1316536295 GJAWJGKLUZHGRL-HZPDHXFCSA-N 420.539 1.184 30 10 HDEE C=CCN1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)CC1 1335339268 HTHDQGWEKCGGKQ-AWEZNQCLSA-N 407.492 1.053 30 10 HDEE CCCn1c(=O)n(CCC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c2ccccc21 1351735198 GTYIOWXLICEWHV-UHFFFAOYSA-N 423.477 1.673 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)nn1 1352183128 AQQDYPOFBAEMEH-UHFFFAOYSA-N 409.899 1.654 30 10 HDEE C#CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1352905933 WPHDBVYGWGOJAD-HOTGVXAUSA-N 400.541 1.965 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)CCN3C(=O)[C@H]4CCCC[C@H]4C3=O)n2)cc1 1354673550 FHDUOJZACCBBTD-CALCHBBNSA-N 406.446 1.702 30 10 HDEE CN1CCC(OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1 1357484713 TYHUOOURVDTMSL-UZYVYHOESA-N 408.524 1.549 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(OC2CCOCC2)c1 1358937223 MSTLOZCOEIAUOZ-UHFFFAOYSA-N 412.494 1.487 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(=O)NCC)CCC1 1358940418 XCOOBHWXTHLUNP-NRFANRHFSA-N 403.527 1.695 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1358951290 QHZQHOMMUWWWOM-OALUTQOASA-N 422.512 1.679 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1C[C@H](C)C[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1358956716 JVGJWIAAAMYUBY-QWFCFKBJSA-N 421.611 1.971 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1358961612 BXZLMBKGAVRIHF-KRWDZBQOSA-N 407.584 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@]1(O)CCOC1 1358984036 FYKDXHCXGPKBLY-HSZRJFAPSA-N 421.501 1.762 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(OCCC)nc1 1358992772 WNHYRQYWUYSCHI-SFHVURJKSA-N 406.490 1.924 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 1359036787 JFNZECHDGXTXJB-QFIPXVFZSA-N 422.577 1.887 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@](C)(O)C(C)C)CC1 1359038944 QONRADNUZBTIPT-QHCPKHFHSA-N 422.533 1.891 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCOc2ncccc2Cl)CC1 1359041631 CXXWQJSHOWOIIT-UHFFFAOYSA-N 402.886 1.680 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOCC 1359113950 UIYQOTJPSXCHRQ-OAHLLOKOSA-N 401.533 1.050 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1359287109 NFUCXBQXYAILDN-HNNXBMFYSA-N 412.494 1.900 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1nc(O)c2ccccc2n1 1359303264 ISTXNSBOBFIDBN-UHFFFAOYSA-N 407.478 1.818 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1359326467 AUPIQXBVEACOSN-ZNMIVQPWSA-N 411.528 1.327 30 10 HDEE CC(C)c1nnc(N(C)C[C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1359683649 HFKPAXXCLXWHEN-UHHPSXQGSA-N 402.499 1.791 30 10 HDEE C#C[C@H](NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CCOCC1 1437873660 KAFJAFIDVQMWEM-KRWDZBQOSA-N 410.467 1.005 30 10 HDEE CN1C(=O)NCC12CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC2 1452023215 FWUXNGOTICQBRF-OAHLLOKOSA-N 407.515 1.980 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1 1454249339 WBIWDPXSPWEMQA-UHFFFAOYSA-N 400.460 1.677 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)C1 1455207640 HQADSRONUACOMB-MRXNPFEDSA-N 417.307 1.884 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)ccc1OC 1456480164 YLIQOCDIMFEGRB-GOSISDBHSA-N 415.471 1.689 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@@H]23)s1 1456554347 QLIIIEVQNVEDLX-GBOPCIDUSA-N 412.533 1.459 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NCC3(CF)CCOCC3)C2=O)cc1 1460199676 XZDNHYQEDSQJED-INIZCTEOSA-N 402.426 1.646 30 10 HDEE C#CCCN1CCN(C(=O)[C@H]2CSCN2C(=O)c2ccc(OCC)cc2)CC1 1464612855 SOUACFYCQSNQCY-LJQANCHMSA-N 401.532 1.768 30 10 HDEE CC#CC[C@H](CO)NC(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1469815500 UBDUZPISJANXIQ-OPAMFIHVSA-N 422.481 1.777 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)C[C@H]2CC[C@H]1C2 1469870728 FKXOZZJYSINQGF-BJLQDIEVSA-N 402.520 1.495 30 10 HDEE N#CCCN1CCN(C(=O)NCc2ccc(-c3ccc(OCC(N)=O)cc3)cc2)CC1 1470892487 CXSCKOJSFPILEO-UHFFFAOYSA-N 421.501 1.959 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1471520866 BHJYDFVJOJHKCA-KRWDZBQOSA-N 417.531 1.517 30 10 HDEE COC(=O)[C@H](CNC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCCC1 1472003248 HPHFIKUGEBQMQK-MRXNPFEDSA-N 421.519 1.601 30 10 HDEE CC(C)(C)c1ccc(CCNC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1473824527 MFUANGJIUCMVLK-RXVVDRJESA-N 403.548 1.513 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(CCCO)C2)cc1 1475973151 FFHSEVTXMWODIM-QGZVFWFLSA-N 410.540 1.461 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507608241 MMRGWIVPTVIQBM-IRXDYDNUSA-N 416.551 1.557 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1N(C)CCCC1(C)C 1507652663 IIVGGONJUYCTOV-ROUUACIJSA-N 417.579 1.373 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cl 1507710217 CZCXQMKFMKWRGW-INIZCTEOSA-N 422.938 1.968 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2C[C@]2(O)CCOC2)CC1 1507723042 RTAUUKYWVBOMAF-HXUWFJFHSA-N 401.898 1.505 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1507794273 DXAIJYLJOREYLX-FHWLQOOXSA-N 402.543 1.311 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507955424 YMIZFQZXIINLFZ-QGZVFWFLSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1508087261 OHMIKAMNUOUZFE-UHFFFAOYSA-N 404.412 1.480 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCC1 1509953170 KSLSQPUNSWNGNG-BRWVUGGUSA-N 422.555 1.706 30 10 HDEE COCCN(C)c1nnc(Cc2ccccc2C)n1CCN/C(O)=C1/N=CC=CC1=O 1519097137 ICSUKNKHRWIJDC-MRCUWXFGSA-N 424.505 1.786 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCC2(O)CCOCC2)cc1 1521082454 HCYYNPWXQNJIQP-KRWDZBQOSA-N 410.478 1.060 30 10 HDEE C[C@@H](C(=O)NCc1cccc(OCC#N)c1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1521506613 COFLIBVIBPPFIN-HNNXBMFYSA-N 416.478 1.673 30 10 HDEE COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 1529454190 XMYQWFSFNVSMSI-KRWDZBQOSA-N 408.414 1.639 30 10 HDEE COC(=O)CNC(=O)[C@H]1CCCN1C(=O)CCCOc1ccc(C#N)cc1OC 1536783056 OSVMVTHTQODLFH-OAHLLOKOSA-N 403.435 1.006 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1538993307 INDVZCYEAMEJNL-MAUKXSAKSA-N 412.519 1.699 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539216156 OCZYLFHLXSYHSM-GOSISDBHSA-N 416.551 1.886 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCC(=O)NC1CC1 1539251556 IPQRDFWQAOHNAV-UHFFFAOYSA-N 419.485 1.848 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1539263403 HLSADBRRRRCVLK-IAGOWNOFSA-N 405.524 1.017 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCCOC2)n1C[C@H](C)CN1CCN(CC)CC1 1539365967 TUKQNAHXWLLUCF-UXHICEINSA-N 402.587 1.905 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCNC(=O)c2cccs2)CC1 1539444889 XHEWRHDWWZCZOK-UHFFFAOYSA-N 423.546 1.530 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1539517046 HFLVYDKCZFPGQF-SQNIBIBYSA-N 406.552 1.923 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1540036227 KZXMQQYBCFXSCN-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCC(O)CC1 1540057863 KRQBAZPFGGTBTJ-UHFFFAOYSA-N 423.525 1.390 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N(C)CC(=O)NC(C)(C)C 1540872991 IRUVKHUBMGHHGP-UHFFFAOYSA-N 419.555 1.287 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1540885213 DLWCRTJSUSFQAV-QGZVFWFLSA-N 401.492 1.643 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H]2CC(=O)N(CCOC)C2)C1 1540891495 VCHQTZDFDCFROD-RCCFBDPRSA-N 419.526 1.058 30 10 HDEE C#CCN(CC(=O)NCCCS(=O)(=O)Cc1ccccc1)C(=O)OC(C)(C)C 1540939928 XOSDUJJVZVBKOZ-UHFFFAOYSA-N 408.520 1.978 30 10 HDEE N#Cc1c(CCCNC(=O)c2cc3n(n2)CCC[C@H]3O)nn(-c2ccc(F)cc2)c1N 1543679441 OHMYACRPKPBSGH-LJQANCHMSA-N 423.452 1.852 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2nc(S(N)(=O)=O)c3ccccn23)c1 1543756774 LKKFROPJGUYUMZ-AWEZNQCLSA-N 413.459 1.593 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN3C(=O)OC[C@H]3C2)C1 1545428206 HUMAXUOAZOQXRX-CQSZACIVSA-N 405.252 1.420 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(O)CCSC2)c1 1555011056 ABUXNIGYMWFLNJ-QFBILLFUSA-N 401.492 1.550 30 10 HDEE C#CCC[C@H](O)CNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1556349345 WIVXONQFEOEKKR-ROUUACIJSA-N 418.490 1.904 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC[C@@H](O)COCc3ccccc3)CC2=O)cc1 1557769973 DXDQBEGULLJULY-TZIWHRDSSA-N 407.470 1.995 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nnc2n1CCNC2=O 1558352727 SRVYFZCRCSEBTH-CYBMUJFWSA-N 406.487 1.230 30 10 HDEE COCCN(C(=O)CSc1cccc(C#N)c1Cl)[C@H]1CCS(=O)(=O)C1 1559470424 YEMXCOBQGGAQCX-ZDUSSCGKSA-N 402.925 1.966 30 10 HDEE CO[C@]1(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)CCS(=O)(=O)C1 1568492120 CBPNWSXARVABED-SJLPKXTDSA-N 411.911 1.253 30 10 HDEE Cc1ccc(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)cc1C 1585660315 JNLJPXFUJUZSMF-TWOQFEAHSA-N 401.488 1.053 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c(N)c1 1587635397 KEMDWIFXBPIOLG-CYBMUJFWSA-N 422.507 1.647 30 10 HDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1587788241 ZDNPXNOUVJQWRF-LJQANCHMSA-N 422.489 1.483 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOCC1(C)C 1587979129 IMNKJQXPZMLAFG-UHFFFAOYSA-N 400.483 1.186 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccc(F)cc2)n1Cc1nnn(C)n1 1588181091 OKXAOBPBVDTYQE-HNNXBMFYSA-N 408.441 1.592 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1593914872 QRYOUMFXRZMUCI-UHFFFAOYSA-N 420.926 1.833 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1594624792 BJJQGRXFPVTYRV-SJORKVTESA-N 416.526 1.905 30 10 HDEE CC(C)(C)OC(=O)NCCCn1ccc(C(=O)NCCNc2ccc(C#N)cn2)n1 1594797454 OGQXDOGECUYJDG-UHFFFAOYSA-N 413.482 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595516804 JDIHILFBLJAYJK-IBGZPJMESA-N 424.549 1.796 30 10 HDEE C#CCN(CC(=O)NCc1ccccc1CN1CC[C@@H](O)C1)C(=O)OC(C)(C)C 1611468743 TWSRYXRVBRGSOA-LJQANCHMSA-N 401.507 1.740 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@](C)(O)c1ccco1 1612877408 BAQXZQYZFBCKLS-IVZQSRNASA-N 420.473 1.984 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCO[C@H]1CCOC1 1614069958 JCQHTQFONYNNRY-RBUKOAKNSA-N 424.505 1.727 30 10 HDEE CCNS(=O)(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)O)C1 1615972540 FPTLOKIMLAGGIG-INIZCTEOSA-N 418.523 1.106 30 10 HDEE C[C@H]1Cc2cc(C(=O)Nc3nc4n(c3C#N)CCOC4)ccc2N1S(C)(=O)=O 1617126987 XUQBDZMMQXOTHW-NSHDSACASA-N 401.448 1.248 30 10 HDEE COc1ccc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)cc1-n1cnnn1 1618077400 FWRIWHKROVGNFD-UHFFFAOYSA-N 404.430 1.978 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CN2CCC(NC(=O)OC(C)(C)C)CC2)n1 1618758131 CGOBVURXEXXTJK-UHFFFAOYSA-N 403.527 1.854 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)cc1S(=O)(=O)NCC#N 1624729516 JGUFEHXKJFRNMZ-KGLIPLIRSA-N 424.523 1.828 30 10 HDEE N#CC[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(F)(F)F 1626359405 KEAJAUODUQGEKJ-HNNXBMFYSA-N 414.409 1.920 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@H]2CC(c3cn(C)nc3C)=NO2)C1=O 1626598336 QTXIGCMRGLQPFR-UZLBHIALSA-N 418.498 1.924 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H]1Cc1ccc(OC)cc1)c1cc[nH]n1 1629629427 QFCGIRLJHJQUBQ-OAHLLOKOSA-N 400.435 1.546 30 10 HDEE N#Cc1ccc(-c2cc(N3CCN(C(=O)[C@H]4CCCN(C(N)=O)C4)CC3)n[nH]2)cc1 1632252767 CLDDIIKMSINYHM-KRWDZBQOSA-N 407.478 1.388 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2nc3n(c2C(=O)OC)CCC3)s1 1634071691 JEMKXDNQMNADFF-UHFFFAOYSA-N 424.504 1.323 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCC[C@H](C#N)C1 1634196666 GCQPRMYXJSRKIO-BEFAXECRSA-N 421.519 1.913 30 10 HDEE N#Cc1cncc(CNC(=O)CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1 1635326347 XVKAHHHOWWHZMN-UHFFFAOYSA-N 414.365 1.447 30 10 HDEE CNS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)cc1 1635790354 PZZVHRZSBVCCFY-FQEVSTJZSA-N 412.515 1.794 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CC[C@@H](CNS(C)(=O)=O)C3)n[nH]2)c1C 1637516412 MMKJHBYWOOBEBK-AWEZNQCLSA-N 406.512 1.087 30 10 HDEE COCCN(CC#N)C(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1638472097 QWPWDPIYWLUEHL-UHFFFAOYSA-N 411.388 1.358 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCC(c2ccc(C#N)cn2)CC1 1640995146 IDYUMVCBSKUAHN-KRWDZBQOSA-N 410.565 1.720 30 10 HDEE C#CCN(C(=O)CC[C@H]1CC[C@@H](C(N)=O)O1)C1CCN(C(=O)OC(C)(C)C)CC1 1644789615 JEOFLFJFHVYKKP-SJORKVTESA-N 407.511 1.661 30 10 HDEE Cc1cccc(N2CCN(S(=O)(=O)CC(=O)NCC#C[C@@H]3CCCCO3)CC2)c1 1647807457 BXTJBQWYHKNGHM-FQEVSTJZSA-N 419.547 1.136 30 10 HDEE COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2C[C@@H](O)C[C@]2(C)CO)cc1 1647812448 ADRPKSKVDINCGP-HTAPYJJXSA-N 412.490 1.731 30 10 HDEE C#CCOCCN(C)C(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1648262393 YNOWEQZXKKBEBW-UHFFFAOYSA-N 412.817 1.745 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)CC2)OC1(C)C 1651184919 MCKNHDWXYKSHAE-CQSZACIVSA-N 403.375 1.992 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cn1ccnc1)C(=O)OC 1654509131 BFOOVJMTVQRKHD-CHWSQXEVSA-N 400.863 1.577 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F)C(=O)OC 1655131768 JUCVFIFUHZVCBE-CQSZACIVSA-N 403.476 1.641 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1655605830 OHBGBWVPAKGKOU-MRXNPFEDSA-N 412.533 1.274 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CC(N)=O)n(-c2cccc(F)c2)c1C 1659041978 AHHPKGWPXKMVBJ-KRWDZBQOSA-N 413.453 1.620 30 10 HDEE C=CCN(C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)[C@H](C)COC 1659150645 GFAIXFHCLDRKTK-OAHLLOKOSA-N 411.528 1.218 30 10 HDEE N#Cc1ccc([C@H]2CN(C[C@H](O)Cn3c(-c4ccccc4)noc3=O)CCO2)cc1 1660382715 ZHXPHASXHRYMFV-VQTJNVASSA-N 406.442 1.809 30 10 HDEE C#CCN(C(=O)Nc1cc(C(=O)OC)cc2cccnc12)[C@H]1CCS(=O)(=O)C1 1674580976 LKWZQVYFHVGVGW-HNNXBMFYSA-N 401.444 1.676 30 10 HDEE C=CCOCCNC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1674731344 ZLNOCBZBGBCFHY-UHFFFAOYSA-N 401.414 1.942 30 10 HDEE O=C(NCC(F)(F)F)[C@H]1CCN(C(=O)NCCOC(F)(F)C(F)(F)F)C1 1675738391 JVRHZSMHYJJQAM-ZETCQYMHSA-N 401.254 1.868 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](NS(=O)(=O)c3cccc(F)c3)C2)C1 1676031149 SYEKJRFEFTWKNW-MSOLQXFVSA-N 422.526 1.376 30 10 HDEE C=CCC1(O)CCN(C(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 1677162202 BFKWTASDZBXGFA-UHFFFAOYSA-N 402.543 1.491 30 10 HDEE CN(CCc1ccccn1)C(=O)CNC(=O)N1CCN(c2ccc(C#N)cc2)CC1 1678485315 HRZJMJFWCJEOFH-UHFFFAOYSA-N 406.490 1.486 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCCS(=O)(=O)C1 1689861045 MYXRIWDQMZALMW-WBVHZDCISA-N 404.540 1.422 30 10 HDEE C#CCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941926 XZIALEKKSXAPOE-RXVVDRJESA-N 403.527 1.253 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1Cc1cccnc1OCCOC 1690011909 IEEMVAYNXVIPJR-UHFFFAOYSA-N 402.458 1.881 30 10 HDEE C#CCN(CC#C)c1nnc(CSc2ccccc2OC)n1CCn1cncn1 1690028132 LLMSOLFJSPOZIY-UHFFFAOYSA-N 407.503 1.944 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCC[C@@H]1C 1690067390 YMUYOESNMCMLFI-KKSFZXQISA-N 406.494 1.931 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OCC)CC1 1690497301 MRCYPSFVIJCAEN-UHFFFAOYSA-N 408.503 1.288 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1nncn1C 1690611295 HKSKOYQFKFMXIM-UHFFFAOYSA-N 421.303 1.851 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCNC(=O)C1 1690663923 IEZVYCKZJLNPAP-UHFFFAOYSA-N 409.277 1.490 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(OC)cc1OC 1690671168 QBNMOZJGOPOVKR-INIZCTEOSA-N 415.494 1.738 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1C[C@@H](COC)O[C@H](C)C1 1690672775 CTGNBGIFYIVLQV-MJGOQNOKSA-N 413.522 1.720 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](C)CC#N 1694607571 IFEMCISGZNLVLT-CYBMUJFWSA-N 402.503 1.507 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1694782029 AKJXIIODCMMOTQ-SFHVURJKSA-N 411.510 1.110 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC(C)(C)OC 1698166660 AXAVFCZNYMCWLD-RDJZCZTQSA-N 406.531 1.604 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1705495798 VNKIMVKHVJMSOL-HUUCEWRRSA-N 423.564 1.487 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCCC2=O)CC1 1705538191 FOMFXWNWCPTAIN-UHFFFAOYSA-N 412.538 1.795 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)CCC(F)(F)F 1705551134 HLAZAZSFLFLMEF-AWEZNQCLSA-N 421.489 1.524 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)C 1705574696 LBPFFDJZQGGDBC-NRFANRHFSA-N 401.511 1.164 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCCOc1cccc(OC)c1 1705580278 HIZQYQGHDPBLPU-IBGZPJMESA-N 407.474 1.780 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1705730174 GPDISCGFJQQBEO-LSDHHAIUSA-N 401.533 1.096 30 10 HDEE C=C(C)COCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1705732697 HTLBDJGGHXYUKV-SFHVURJKSA-N 415.494 1.498 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705841419 ALLUCGNIPUKFCP-LSDHHAIUSA-N 411.514 1.352 30 10 HDEE C=CCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@]1(OCC)CCOC1 1705894101 YJNOOWYBCPDBKM-PMACEKPBSA-N 402.499 1.602 30 10 HDEE CCc1nnc(N2C[C@H](C)O[C@H](C3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1709061888 OQPPQQQNOCZCNK-KXUCEINESA-N 400.483 1.371 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1712875872 ITHVGNURFTXHTB-POWXATIXSA-N 410.413 1.242 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1722374328 UGHLVDCQFKYRBC-QGZVFWFLSA-N 411.510 1.441 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)c1ccco1 1722386702 IFCPJUGPXUSRKD-OAQYLSRUSA-N 423.498 1.843 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)CC1 1722444745 FGCOLIYILOXQOZ-UHFFFAOYSA-N 420.517 1.944 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722591109 MDPHMKLXBLBRRH-UHFFFAOYSA-N 412.542 1.548 30 10 HDEE C=CCNC(=O)Cn1c(N(C)OC2CCCC2)nnc1[C@]1(OC(C)C)CCOC1 1722704644 WERSYNXIWXZMPM-FQEVSTJZSA-N 407.515 1.931 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2C[C@@H](C)N(C)C)C1 1722716237 XAVUMJDMZRHLSI-HUUCEWRRSA-N 402.499 1.737 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@]1(O)CCSC1 1729396311 CJWAZCQXUBTFKV-UZLBHIALSA-N 412.519 1.605 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCCN2CCOCC2)c1 1731178582 BPBUZYGVGZMDGH-LJQANCHMSA-N 423.521 1.241 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)CC1 1731190761 XPXKDWZUAZXALX-QZTJIDSGSA-N 416.526 1.945 30 10 HDEE COCCC1(NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CCN(C(=O)C#CC(C)(C)C)CC1 1739249916 SQRMRJVFEHILEZ-GJNTUIEKSA-N 402.535 1.973 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1740627040 ODVWXBMLKNXQCJ-KURKYZTESA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628326 PIFWIXZWSMIPLC-ZWKOTPCHSA-N 423.583 1.173 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCC[C@H](C(N)=O)C1 1740738521 IRTLNVJWWSDVNB-STQMWFEESA-N 416.320 1.612 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1740838464 PVRIIJFSFZGWDD-QGZVFWFLSA-N 424.567 1.514 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2CCOC[C@@H]2C1 1740867644 RCPDAXLBOPOSHD-FHWLQOOXSA-N 405.543 1.879 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1740881118 XUXPHLYLXZGEJT-OAQYLSRUSA-N 421.542 1.783 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@](C)(O)c1ccccc1 1740890752 IDMUGBFMJGOEFO-BEFAXECRSA-N 407.540 1.808 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740957834 BQBKZMMWCITRGJ-INIZCTEOSA-N 402.543 1.979 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCN(CC)CC2)C1 1740980807 NAFKGRNNEKTRMU-PMACEKPBSA-N 418.586 1.591 30 10 HDEE CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1741700043 FTSMGLGBIJSFEZ-SFHVURJKSA-N 421.505 1.794 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1742679172 VLJIUBQHEZVGPR-FMQUCBEESA-N 424.509 1.655 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H](C)N(C)C 1744770712 HXBYYVYBJSQFFB-YJBOKZPZSA-N 411.510 1.394 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1744867654 NYAQKHGSSYGFLB-IPMKNSEASA-N 420.558 1.995 30 10 HDEE CCOCc1nnc(N2CCC(S(=O)(=O)CC)CC2)n1Cc1ccc(C#N)o1 1747125826 ZLIILOPLIZYXRR-UHFFFAOYSA-N 407.496 1.731 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(Cc2ccccn2)n1CCS(C)(=O)=O 1747730193 DRHGAALDODUKAE-UHFFFAOYSA-N 410.503 1.817 30 10 HDEE COC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1748355301 ODHIXMODBPGUSH-UHFFFAOYSA-N 413.482 1.376 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1 1748638003 HSCDZOMPZZAXJZ-NVXWUHKLSA-N 402.543 1.913 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(C(N)=O)CCOCC1 1748765423 GYSMJDPWYMWJRL-UHFFFAOYSA-N 424.505 1.499 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@H]1CCCN1S(C)(=O)=O 1748931176 OPEKMOSNOAFEBD-MRXNPFEDSA-N 422.580 1.517 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCN2CCOC[C@H]2C)CC1 1748992899 JUBBNPFQRGIHBJ-OAQYLSRUSA-N 422.577 1.653 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CC(C)(C)N1CCOCC1 1749049272 HMRSTHLNJQHNTO-OAQYLSRUSA-N 402.543 1.519 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@H](C)CN1CCOCC1 1749944587 YWTIIBPHNOFMBV-MSOLQXFVSA-N 420.558 1.710 30 10 HDEE CO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCC(=O)N(C)C)C1 1750175421 DBDBNJBBVRACES-GOSISDBHSA-N 412.494 1.822 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@@H]1C[C@H]1CF)[C@@H]1CCS(=O)(=O)C1 1760181056 PAIMMHKZSAVDBO-CAOSSQGBSA-N 414.503 1.159 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2CCCC(=O)NC2CC2)CC1 1760262982 JHBYDKRPXLWMOW-UHFFFAOYSA-N 420.561 1.877 30 10 HDEE CCC[C@H](C)C(=O)NCCn1c(CC)nnc1N1CCN(c2ncccc2C#N)CC1 1765482919 PZSOYXNLZUXDGS-KRWDZBQOSA-N 424.553 1.986 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCCOC(C)C)CCOC1 1765923387 OOHYPIDOZDYETB-YLJYHZDGSA-N 407.515 1.864 30 10 HDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O)C1CC1 1766510101 FGDLZUAHJGAONX-KRWDZBQOSA-N 423.477 1.706 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCc1cn[nH]c1 1767341246 AXPJDJUBQINKON-UHFFFAOYSA-N 413.507 1.653 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1CC1(C(N)=O)CCOCC1 1767431219 ATAWPYAWAVDAJI-GOSISDBHSA-N 424.505 1.714 30 10 HDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1768880369 POEMEPPDYCJMPC-KRWDZBQOSA-N 417.535 1.850 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](n2cncn2)C1)OC 1769237511 GTXSINYXLRTJRQ-OALUTQOASA-N 422.493 1.911 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(OC)c1 1770050084 IPTFLYKSASDNCK-QAPCUYQASA-N 401.467 1.788 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)CC1 1770743859 BXUAYUNNYBYJRY-SJORKVTESA-N 402.499 1.555 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCCO3)n2CCCCN2CCOCC2)CCO1 1770747035 DXYJOBOPONLASY-QZTJIDSGSA-N 404.515 1.361 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1770787207 SIHVEBIWWSKUHB-JKSUJKDBSA-N 400.414 1.442 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2ccc3nccnc3n2)cc1 1852195829 BCVTUMUXBPUOBQ-GOSISDBHSA-N 419.441 1.833 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3ccc(-n4cccn4)nc3)CC2)nc1 1852436627 YVXFGDKJRYQWIM-UHFFFAOYSA-N 403.446 1.513 30 10 HDEE C#CCCN1CCN(C(=O)c2cn3c(n2)sc2cc(S(C)(=O)=O)ccc23)CC1 1852632526 AUXJEMYPCLKMRV-UHFFFAOYSA-N 416.528 1.734 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(OCC)nc2)C1=O 1853789310 DZJHRVTZZQYMLG-SJORKVTESA-N 400.479 1.330 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)COc2cc(C)ccc2C)C1=O 1853828150 IHIVTHLLOCKJJH-RTBURBONSA-N 413.518 1.919 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3noc(C)n3)C3(CCCCC3)C2=O)CC1=O 1853929407 GXJNSTFJIMBGRV-MRXNPFEDSA-N 415.494 1.286 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc2N1CCC#N 1853949600 HDCPWQJWBNOGGA-QAPCUYQASA-N 418.519 1.873 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(Cc3nnc(C)n3C)c3ccccc32)CC1=O 1854055132 XSLNCXGEXYHWOR-OAHLLOKOSA-N 408.462 1.038 30 10 HDEE C=CCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@H]1C 1854283024 UPLGIDJTBIDPEL-ZIAGYGMSSA-N 402.520 1.404 30 10 HDEE C=C1CCCN([C@@H]2CCN(C(=O)C3CCN(S(=O)(=O)C4CC4)CC3)C2=O)CC1 1854782778 YLFBEXRGRAIRJV-GOSISDBHSA-N 409.552 1.360 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@H]2CCc3c(ncn3C)C2)CCN1Cc1ccc(C#N)cc1F 1854995421 GMEFMGIJWJAQKY-ZBFHGGJFSA-N 409.465 1.795 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3cnc4ccccc4n3)C(=O)C2)C1 1855008874 WOVNFXMFQKPXEW-IRXDYDNUSA-N 406.490 1.681 30 10 HDEE CN1C[C@@H](CN2CCC(=O)N(C(=O)c3ccnc(C#N)c3)c3ccccc32)CC1=O 1855305289 YIMFBSINZAKMOY-HNNXBMFYSA-N 403.442 1.815 30 10 HDEE C[C@@H]1CC(=O)N(C(=O)Cn2cnnn2)c2ccccc2N1Cc1ccc(C#N)cc1 1855769689 LIGILACKVLHACZ-OAHLLOKOSA-N 401.430 1.903 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN([C@@H]4CCN(C)C4=O)CC3)CC2=O)cc1C#N 1856315211 AVISTNDLHVLISE-WOJBJXKFSA-N 408.502 1.798 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc3ncccc3n2)C1=O 1856728402 HITPJZCIVRYXFX-MOPGFXCFSA-N 407.474 1.480 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@@H]3OCCc4ccccc43)CO2)cc1 1856769245 YKKRFIRWAVYMCG-VQIMIIECSA-N 414.439 1.720 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H]4CN(C)C[C@H]43)ccc21 1857045895 IERGUQWSHWMBAW-KBXCAEBGSA-N 403.504 1.393 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(OC)cc2)C1)[C@@H]1CCN(C)C1=O 1857236316 DEZSNJCZHQPIGT-QFBILLFUSA-N 415.490 1.168 30 10 HDEE Cc1ccc(S(=O)(=O)N2CC[C@H](NS(=O)(=O)c3ccccc3C#N)C2)cc1 1858318082 WOEZPVYHQLAENH-INIZCTEOSA-N 405.501 1.608 30 10 HDEE CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2cccc(O)c2)[C@@H]1c1ccccc1C(=O)O 1862597979 QDVWCEMGLVZFCP-SFHVURJKSA-N 424.409 1.805 30 10 HDEE C=CCNS(=O)(=O)c1ccc2nc(NC(=O)[C@H](N)CCSC)sc2c1 1865920476 HNSLNGVOXNOPKO-LLVKDONJSA-N 400.551 1.780 30 10 HDEE COC(=O)[C@H](C)NC(=O)c1cncc(NC(=O)/C=C/C(=O)c2cccc(OC)c2)c1 1866232759 UVJLHCGXLATBDV-GWJCSSMESA-N 411.414 1.759 30 10 HDEE COc1ccc(NC(=O)Cn2cnc3c(nnn3Cc3ccc(C#N)cc3)c2=O)cc1 1870100454 FTTMBMAZZSZNHV-UHFFFAOYSA-N 415.413 1.555 30 10 HDEE C=CCn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2c(=O)n(C)c(=O)n(C)c21 1873599360 PNBOSYAQFVEIPB-UHFFFAOYSA-N 405.458 1.679 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)cs1 1889640036 UIOBQIRXZHZVGB-GJZGRUSLSA-N 424.482 1.316 30 10 HDEE Cn1cc([C@H](C#N)N(CCO)C(=O)OC(C)(C)C)c(I)n1 1929103135 CCFWMXGAWXZZCS-JTQLQIEISA-N 406.224 1.819 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H]2COC[C@H]21 1988230192 IUQWWOVQGPYXMY-VXGBXAGGSA-N 411.318 1.545 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1CCC 2060607772 XTVLFKCJUGDMFO-NSHDSACASA-N 414.304 1.983 30 10 HDEE C#C[C@]1(O)CCCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)C1 2123461256 LCZCISMVOZIMLL-QIJUGHKUSA-N 400.475 1.789 30 10 HDEE Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C)cc1C#CCN 2138950371 JAPUWVXCARRBAU-UHFFFAOYSA-N 411.483 1.652 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174777051 DTRNMPCLANNSLQ-HUUCEWRRSA-N 401.529 1.920 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2174779343 IAKFDQYHZIVJTE-CABCVRRESA-N 401.529 1.870 30 10 HDEE CN(C)S(=O)(=O)C[C@H](N1CCN(Cc2ccccc2)[C@H](C#N)C1)C(F)(F)F 2195876864 BVMBRGHVXFZLRE-CVEARBPZSA-N 404.458 1.519 30 10 HDEE C=C[C@]1(CO)COCCN1C(=O)[C@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2199850736 DFEXLSYSTYEIDW-COPCDDAFSA-N 418.490 1.579 30 10 HDEE Cc1oc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2243372625 PZNCFDLFLMGECZ-UHFFFAOYSA-N 402.178 1.390 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCCC3(C2)OCCO3)OC1(C)C 2267375631 JWQGGXRSJUIDCF-UHFFFAOYSA-N 409.313 1.513 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3[C@@H]4COC[C@H]3C4)cc2Cl)OC1(C)C 2267702230 CZSLRXNCVIIBIF-AOOOYVTPSA-N 405.734 1.863 30 10 HDEE CN(CCNS(C)(=O)=O)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281937913 GMRDJVBPGFRWCW-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE CCS(=O)(=O)CCN(C)C(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2281979559 DTJKWYQBTLMNFP-UHFFFAOYSA-N 402.347 1.257 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@@H]3CCCNC3)cc2Cl)OC1(C)C 2282305941 GLJQQTLWXVHXII-LLVKDONJSA-N 420.793 1.979 30 10 HDEE C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282334286 ZKQHBKZGYOHQGW-STQMWFEESA-N 401.359 1.829 30 10 HDEE COC[C@@H](CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282341222 PHQAHXZXZMRMOI-GFCCVEGCSA-N 405.347 1.329 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NCCCP(C)(C)=O 2282341510 TWQQPQGWLWBYBA-UHFFFAOYSA-N 405.266 1.010 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282499553 QEDLTNMUFNTWOT-RUZDIDTESA-N 401.359 1.174 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@](C)(N)C3)c(Cl)c2)OC1(C)C 2282505277 AWCYPLNLDSXWGO-QGZVFWFLSA-N 400.737 1.751 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2COC3CC2C3)OC1(C)C 2282508925 CWDHSRPFQXVDKH-HTAVTVPLSA-N 400.331 1.039 30 10 HDEE CC1(C)OB(c2cnccc2C(=O)N2CCC3(C2)CC2(C3)OCCO2)OC1(C)C 2282513980 XOHXTEIIBSLINS-UHFFFAOYSA-N 400.284 1.750 30 10 HDEE C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)CS1 2282830384 SRUIRLASPZQZPB-VXGBXAGGSA-N 401.363 1.234 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CCO)C1CC1 2282834385 TWJSKYOSOBKEKU-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@@H](N)C2)OC1(C)C 2282838088 ZNUWHTXOZUUVHF-GFCCVEGCSA-N 400.737 1.751 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CCC[C@@H]2CN)sc1B1OC(C)(C)C(C)(C)O1 2282840546 HSCSCSRKLQUJLW-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE COC(C)(CCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)OC 2282850056 KNCCIONYBSQEJO-UHFFFAOYSA-N 405.347 1.725 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)[S@@](C)=O 2282866664 NETOCSOOUGTQQN-JPQMIFPKSA-N 421.777 1.685 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2COC[C@@H]2C)c1B1OC(C)(C)C(C)(C)O1 2282871322 FFWRZOMVIAKYIG-GWCFXTLKSA-N 401.359 1.977 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(F)cc2F)CC1=O 2329013011 BRUNXSWGLJGQHL-LBPRGKRZSA-N 422.461 1.740 30 10 HDEE COc1cc(C=Nn2c(SCC(N)=O)nnc2-c2ccco2)cc(OC)c1O 2331190252 MBKROJUZRGBTTB-UHFFFAOYSA-N 403.420 1.721 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336245563 JHKJMGCEPPPXQI-HUUCEWRRSA-N 402.582 1.898 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc([C@@H](O)C#CC2(S(C)(=O)=O)CC2)cs1 2342044084 LIPPLJJYPVWDLK-ZDUSSCGKSA-N 400.522 1.824 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C[C@](C)(O)[C@H](N)C#CC(C)(C)S(C)(=O)=O 2365205574 BSGFOILENLJZDF-CLCXKQKWSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)NC1([C@H](O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCCCC1 2367136141 BEYRMXNGNNMXES-LSDHHAIUSA-N 402.557 1.729 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 2367786300 IAFCYXYYYJADMH-OWCLPIDISA-N 400.541 1.617 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798452 QTGMZWRZMCDNKF-GUYCJALGSA-N 403.497 1.730 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)C[C@H](C)N(C(=O)OC(C)(C)C)C1 2367816935 JMSDTMXXVSWHSU-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2sccc2C#N)cc1 3485035 LQRCKXFEUJRJOH-UHFFFAOYSA-N 407.473 1.779 30 10 HDEE COc1ccc(/C(C)=N/Nc2nnc(SCC(=O)NCc3ccco3)n2N)cc1 21328285 FNHUGKIYIUTVFS-CIAFOILYSA-N 415.479 1.838 30 10 HDEE C=CCNC(=O)CN1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 32490119 RIUAHUILCDZNKA-FQEVSTJZSA-N 403.567 1.952 30 10 HDEE CC(=O)N1CCCC[C@H]1CCS(=O)(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 208048492 VCUJAKSTWXYOFF-INIZCTEOSA-N 423.344 1.341 30 10 HDEE COc1ccc(C)cc1C1(CNS(=O)(=O)N2CCO[C@H](C#N)C2)CCOCC1 409569430 FIWBNLYJOJZJAZ-MRXNPFEDSA-N 409.508 1.111 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(=O)OC(C)(C)C)C3)CC2)o1 426185280 XCOLBQCYAXZZTI-OAHLLOKOSA-N 403.483 1.167 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(F)c2)CC1 426990504 MLDMIVPPHBNERO-UHFFFAOYSA-N 402.426 1.389 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1 431013448 FNYVZARKFQRMCQ-UHFFFAOYSA-N 409.475 1.544 30 10 HDEE N#Cc1cccnc1N1CCN(CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 432952917 BQSMLTRVMJEMNI-UHFFFAOYSA-N 412.881 1.856 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@@H]([C@H](O)C(F)(F)F)C1 434056046 CGHYDALFYDHKFJ-LNSITVRQSA-N 419.425 1.387 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 460268200 WXVQUYWOJGYGIT-UHFFFAOYSA-N 415.471 1.388 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)ccc1F 462675936 IOQSYRYGLJQGKP-IBGZPJMESA-N 417.462 1.446 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C(F)(F)F 469898196 GVVSCSRKBTWWOS-AWEZNQCLSA-N 404.414 1.915 30 10 HDEE Cc1nc(Cn2nnc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)c2C)no1 473444148 XWXDDPJKIPCHLX-UHFFFAOYSA-N 407.434 1.882 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)Nc1ncn(CC(=O)N2CCCCCC2)n1 503051507 HPUFJEHNEIEBSW-FQEVSTJZSA-N 418.498 1.881 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)nc2n(C)c1=O 504748255 AMSMOZCPWOKUMU-UHFFFAOYSA-N 419.441 1.187 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C[C@H](O)COC[C@@H]2CCCO2)CC1 533342611 BWUPXLPNJRVTDG-HOTGVXAUSA-N 402.451 1.485 30 10 HDEE CCOC(=O)c1sc([C@@H](C)NCC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)nc1C 543542946 QNUSDIDPVMODTA-CVEARBPZSA-N 421.567 1.971 30 10 HDEE CC[C@H](CC#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 546571625 LLDVDNDFYSRGMB-GFCCVEGCSA-N 416.297 1.611 30 10 HDEE COc1cc(CNS(=O)(=O)CC2(C#N)CCCC2)ccc1OCC(=O)N(C)C 546799581 RHTYNWGONZJOIT-UHFFFAOYSA-N 409.508 1.666 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2ccc(C#N)cc2)CC1 556033719 KYAJYQFCEJKRHB-SFHVURJKSA-N 418.497 1.957 30 10 HDEE C=CCOc1ccccc1CNC(=O)C(=O)NCc1cccc(CS(C)(=O)=O)c1 557193539 DLKUJBJPBXRWOM-UHFFFAOYSA-N 416.499 1.729 30 10 HDEE C=C(C)[C@@H](CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)OCC 559240411 JASFHGQHVPQIDR-FXAWDEMLSA-N 417.554 1.321 30 10 HDEE COCc1nc([C@H]2COCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)no1 561250634 XAWZNTPWOIBPCF-WMLDXEAASA-N 415.425 1.653 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2cc(Nc3ccccn3)ncn2)CC1 585485626 MTILIPDMBOLAFT-UHFFFAOYSA-N 421.486 1.998 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N[C@H]3CCN(C4CCOCC4)C3=O)CC2)c(F)c1 586792787 GXFHAEHDCDVGCF-IBGZPJMESA-N 414.481 1.810 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCCCC#N)CC3)CC1 588722052 KDIPGSVVHRUEIK-QGZVFWFLSA-N 400.527 1.423 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 603783928 TVZNAPMXJWFUPV-UHFFFAOYSA-N 423.498 1.922 30 10 HDEE CN(CCN1CCCS1(=O)=O)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 610589799 MIPNUCQVSHDEHD-UHFFFAOYSA-N 411.427 1.233 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN(C)CCS(=O)(=O)c2cccc(C#N)c2)cc1 611089425 HXMKWCAOIAXOFU-UHFFFAOYSA-N 421.544 1.551 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2)c(=O)n1C[C@@H]1CCCO1 614904596 XQOFNUFCKOKTHN-INIZCTEOSA-N 400.475 1.956 30 10 HDEE NCC#Cc1ccsc1CNS(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 707410451 QCMDCBIDILTYDE-UHFFFAOYSA-N 417.512 1.164 30 10 HDEE C#CCN(C(=O)Cc1cn2cc(Cl)cc(Cl)c2n1)[C@@H]1CCS(=O)(=O)C1 732061248 AGSNJXVJUAKRQJ-CYBMUJFWSA-N 400.287 1.833 30 10 HDEE COCCNC(=O)CSc1ccccc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732647861 LVPNVQDUNMPGCY-MRXNPFEDSA-N 402.520 1.354 30 10 HDEE COc1ccc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1S(=O)(=O)N1CCCC1 732650336 NMVWXBIAISUSGT-KRWDZBQOSA-N 418.519 1.292 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)CCN1C1CC1 732651998 LYVAMCOQKCPTBF-QGZVFWFLSA-N 420.510 1.813 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N1C(=O)[C@@H](CC(=O)NC)SC1=Nc1ccccc1C 733198593 ZMFNNBMNOMHCEM-UKRRQHHQSA-N 411.549 1.886 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1ccccc1OCC(=O)N(C)C 734294481 QUHOCGNUHNDIET-UHFFFAOYSA-N 401.444 1.452 30 10 HDEE C#CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(OCC)c1 743735346 GDBCMBMVMXWYOX-QGZVFWFLSA-N 402.520 1.718 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)Cc1ccc(C#N)cc1)c1ccc(S(N)(=O)=O)cc1 750246087 HNORJWVXANQHQT-UONOGXRCSA-N 415.471 1.557 30 10 HDEE CN(C)c1ccc(N2C(=O)C[C@@H](N3CCN(c4cccc(C#N)n4)CC3)C2=O)cc1 761010951 FXIQXBGCDFLSRV-LJQANCHMSA-N 404.474 1.473 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C3CCN(C(=O)c4cccnc4)CC3)CC2)n1 761037036 LHCHNQRSWVVMIR-UHFFFAOYSA-N 404.474 1.549 30 10 HDEE CCC(=O)N1CC[C@H](N2C(=O)[C@@H](CC(=O)NC)SC2=Nc2ccc(F)cc2)C1 761848367 GVWXNEGTWQGYEE-LSDHHAIUSA-N 406.483 1.904 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(F)c(C#N)c2Cl)c(=O)n1C[C@H]1CCCO1 762990439 NXPSPPQCWBLCRV-CYBMUJFWSA-N 414.849 1.780 30 10 HDEE C#CCN(C(=O)N[C@@H](c1ccc(Cl)cc1)c1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 763167043 ZVJBTXKEDZMGSB-AEFFLSMTSA-N 420.922 1.995 30 10 HDEE CC[C@H]1CN(CN2CC(=O)N(Cc3ccc(C#N)cc3)C2=O)CCN1CC(F)F 765714820 IQRLLHPGCMAVDP-KRWDZBQOSA-N 405.449 1.941 30 10 HDEE C#CCN(C(=O)NCc1ccc(O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 774250618 HUWGMNRNXRMXGI-LBPRGKRZSA-N 401.282 1.487 30 10 HDEE COc1c(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cnc2c1cnn2C 784065152 ODMRASIIIPQSMD-LBPRGKRZSA-N 400.439 1.562 30 10 HDEE O=C1C[C@]2(CCN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C2)CN1 790172801 ZSCZOHGHNIZJQU-HXUWFJFHSA-N 418.519 1.024 30 10 HDEE C[C@H](C(=O)OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)n1cnc(C#N)n1 798745407 ZGQAGTRNROZTML-HIFRSBDPSA-N 411.418 1.389 30 10 HDEE Cc1ccc(S(=O)(=O)NCC(=O)NC2CCN(c3ccccc3C#N)CC2)cc1 810269504 YWZBPCZJXTWBCU-UHFFFAOYSA-N 412.515 1.930 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3c(C(=O)OC)c[nH]c3C(=O)OC)cc2C1=O 1128205656 ZCNWUNNECYXFPR-UHFFFAOYSA-N 411.370 1.622 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CC[C@H](C(N)=O)C1 1129657042 FZDRSFFBOQHTAG-NWDGAFQWSA-N 410.268 1.868 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCC(C)(C)[C@H]3COCC34OCCO4)cc2C1=O 1129750855 AJEFKDINHPROHH-QGZVFWFLSA-N 414.458 1.614 30 10 HDEE N#Cc1ccccc1Sc1ccccc1C(=O)NCc1nnc2n1CCNC2=O 1132955748 VKWOOEQFSNBWFB-UHFFFAOYSA-N 404.455 1.974 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N2CCO[C@](C)(C#N)C2)c1 1134490514 PLRPWPXSFSLUMG-OAHLLOKOSA-N 401.282 1.997 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2CNS(N)(=O)=O)cc1OC 1140720297 WOKOJMNMQMGJDL-YHWKNFMLSA-N 409.508 1.447 30 10 HDEE C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C#N)CO)c1 1140739531 LVOPHYFIQWKZGH-OCCSQVGLSA-N 403.435 1.580 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCc2csc(N(C)C)n2)s1 1143361281 HRFYEBWJFAKIIE-UHFFFAOYSA-N 414.578 1.636 30 10 HDEE C[C@H](CC(=O)NC[C@@](C)(O)c1cccc(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1155954931 VBJGTLHANHPBBJ-ZUOKHONESA-N 419.478 1.667 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2ccc(OCc3ccccc3)cc2)CC1 1157009996 XJBAHLUDZRRFDT-UHFFFAOYSA-N 405.498 1.702 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCNS(=O)(=O)c3cccc(Cl)c3)CC2)C1 1157544433 HLCDIYLAZNJHHN-UHFFFAOYSA-N 412.895 1.873 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3CCN(CC#N)CC3)C2)C1 1160752997 QLULMGFXPJQSKC-TZQQIIETSA-N 401.511 1.877 30 10 HDEE CSCC[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)n1ncc(C#N)c1N 1168597646 FJRNSTFMMHFKBO-TUPIDYKKSA-N 405.505 1.689 30 10 HDEE C#CCN(C(=O)c1ccc(NCCN2CCOCC2)c(F)c1)C1CCN(C)CC1 1178740007 VTGPXOFEEBRUNO-UHFFFAOYSA-N 402.514 1.739 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OCC 1213546508 LZENWLDPYPQJFK-HNNXBMFYSA-N 413.448 1.436 30 10 HDEE C#CCOCCNC(=O)N1CCOc2c(Br)cc(C(=O)OC)cc2C1 1224888283 NXPTVKRSLBFTFE-UHFFFAOYSA-N 411.252 1.790 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)nn1 1252077308 SHTAUDUBKOOUGC-KRWDZBQOSA-N 412.494 1.594 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC1([S@@](C)=O)CC1 1286364878 NAKZUBOQBRGSPU-GDLZYMKVSA-N 418.519 1.951 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1286383743 NKYCUWBETZGESQ-LJCCNALRSA-N 422.551 1.213 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(=C)C 1286408870 GBNLIIXSOODYAE-RCCFBDPRSA-N 402.520 1.234 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1(O)CCN(C(C)C)CC1 1286416124 VQFSRJRCKGWECG-UHFFFAOYSA-N 414.554 1.115 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CC1(O)CCN(C(C)C)CC1 1286459358 NJZNZGUOVVFAHP-UHFFFAOYSA-N 412.538 1.661 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=C)Br)CC1 1286484308 ICRJUWXNLIJOGC-UHFFFAOYSA-N 418.343 1.804 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286687174 MHJHOQPLBCOHGI-OAQYLSRUSA-N 424.509 1.906 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1c1ccc(O)cc1 1286780833 IZZQWIVXXKRVOW-KRWDZBQOSA-N 412.494 1.766 30 10 HDEE CC(C)COCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1287836730 NYMHYAAKWFVIID-SFHVURJKSA-N 417.558 1.656 30 10 HDEE C[C@@]1(Cn2c(C(=O)N3CCCC3)nnc2N(CCC#N)CC2CC2)COCCO1 1289053521 YKJJDIPYKQATMR-HXUWFJFHSA-N 402.499 1.450 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1289909483 MNJAGFKDVVCJRJ-LZICOFPGSA-N 423.477 1.400 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC(F)(F)CO1 1290975935 ILNRUKZSNQNKSG-CZUORRHYSA-N 416.432 1.908 30 10 HDEE COCCCN(C(=O)Cn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1296941390 ZLYXSJLVJFGCDV-NBZXXOOGSA-N 400.479 1.510 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CCCN(C(C)=O)C1 1300432387 VIESGVMFTJULDI-RXVVDRJESA-N 403.527 1.647 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300506108 MKQZSBTVWBSMQM-JKSUJKDBSA-N 410.565 1.676 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCc1n[nH]c(C)n1 1300665383 KXEVTIFXQJLDDD-UHFFFAOYSA-N 423.477 1.472 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H]2C(C)C)CC1 1300706426 LTGVHJDVJAKEEC-WIYYLYMNSA-N 414.554 1.217 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2CCOC[C@H]2C1 1301175083 YCMQPPSUDLITSY-QGZVFWFLSA-N 411.510 1.803 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)CC1 1301218908 DFYLIIXMRVPRME-IYBDPMFKSA-N 406.504 1.085 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCSCC1 1301493461 ZJUIRTSDODMGCF-UHFFFAOYSA-N 403.508 1.818 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(OC)C1 1301508318 HVRLVUPXSBABDW-QFIPXVFZSA-N 423.521 1.824 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CCN2C(=O)c3ccccc3C2=O)nnc1C(C)(C)C 1301520349 WWJJLMOFLJWSMC-UHFFFAOYSA-N 424.505 1.610 30 10 HDEE N#Cc1ccccc1OCc1ccc(C(=O)N2CCC3(CC2)C[C@@H](O)CNC3=O)o1 1302836222 IEGQEMMAMUSMOP-MRXNPFEDSA-N 409.442 1.833 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccc(F)c(S(=O)(=O)NC4CC4)c3)CC2)C1 1304199977 DXIXBYSCYDXBGG-UHFFFAOYSA-N 408.451 1.744 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1NC(=O)CC1(C)C 1305720706 HLSLCENTDBZTAF-UKRRQHHQSA-N 403.531 1.850 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCS(=O)(=O)C(C)(C)C 1306153552 NLTWAUWXDJJWOE-UHFFFAOYSA-N 418.523 1.589 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 1308914610 OIAJMYRSYHACIL-SJORKVTESA-N 414.572 1.107 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)C[C@@H]3CCCCC3(F)F)CC2)c1C#N 1309407010 DPEWRHHOVPBRGG-AWEZNQCLSA-N 401.483 1.878 30 10 HDEE CS(=O)(=O)c1ccc([C@@H]2CN(S(=O)(=O)c3ccc(C#N)s3)CCO2)cc1 1309712625 GVQAKGOSMAKKTM-HNNXBMFYSA-N 412.514 1.785 30 10 HDEE C#C[C@@H](CO)NC(=O)Nc1cc(C(=O)OCC)ccc1I 1311113710 CPSVEOIVAZQMFU-JTQLQIEISA-N 402.188 1.584 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1314139313 GSCSGVIAZXKAID-PXNSSMCTSA-N 404.515 1.145 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(C)COCCO2)C1 1314966835 VIGGFPGELQBFRO-VXKWHMMOSA-N 424.505 1.585 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2c(C)noc2C)CCO1 1315006038 BJLTVOREBCMBQG-GOSISDBHSA-N 421.461 1.421 30 10 HDEE COC[C@@H](C)Cn1c(-c2nnc(O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1315777270 GIJBPOPKJWCVSA-UONOGXRCSA-N 409.450 1.605 30 10 HDEE CON(C)c1nnc(Cc2c[nH]c3ccccc23)n1CCN/C(O)=C1/N=CC=CC1=O 1316312547 APPUPPZAONFBRU-VXPUYCOJSA-N 421.461 1.874 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(C(=O)Nc2ccc(O)cc2)CC1 1319451208 HIFZTDIIJBUWDB-VZCXRCSSSA-N 412.446 1.486 30 10 HDEE Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)CCN/C(O)=C1\N=CC=CC1=O 1320458486 AVCFHYMBIJOUCR-FMQUCBEESA-N 412.446 1.322 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(Cc2nc(O)c3c4c(sc3n2)CCCC4)CC1 1349918914 DRQRYMYCMOIVTQ-AWEZNQCLSA-N 414.531 1.958 30 10 HDEE C#CCN(C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1358761166 AONLKMBZZZLECN-CZKCSJLSSA-N 404.507 1.058 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1358967533 MESCBCTXLMUVIN-QZTJIDSGSA-N 421.567 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(C)C)CC1 1359040159 KCXMSUDMULSWNH-UHFFFAOYSA-N 400.527 1.526 30 10 HDEE C=C(C)COCCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CC[C@H](C(N)=O)C1 1359127898 DFKDJJYKPBLFCK-HNNXBMFYSA-N 415.494 1.867 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1359187013 ZUFXEPRRWCRAQH-MRXNPFEDSA-N 409.494 1.089 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1359198649 WOEOCSRDAAOBLD-ARFHVFGLSA-N 424.571 1.492 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(C)=O)c1 1359281339 WIJBYZUOLKDXQZ-GOSISDBHSA-N 412.494 1.875 30 10 HDEE CC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)[C@H](C)C1 1359397272 YKRZFBSRTHPWIQ-OAHLLOKOSA-N 410.478 1.311 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C2=O)n(C)n1 1435362634 PUZWDYZBOZKRDL-CABCVRRESA-N 418.498 1.537 30 10 HDEE C#C[C@H](NC(=O)[C@@](C)(Cc1ccc(OC)c(OC)c1)NC(C)=O)C1CCOCC1 1437873566 JFIFEVQDKHDBCE-PGRDOPGGSA-N 402.491 1.686 30 10 HDEE C/C(=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1)CN1CCOCC1 1441670019 WBVQKNPSYNNAPC-IUPUDOKJSA-N 420.535 1.716 30 10 HDEE C=CCN(C(=O)[C@@H](CCC(=O)OC)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1442037098 WUGKGFSFBFANPG-UONOGXRCSA-N 418.512 1.035 30 10 HDEE COc1cc(CNC(=O)c2cn(C3CN(C(=O)OC(C)(C)C)C3)nn2)ccc1C#N 1449075961 HNOAPVKWBTZPHT-UHFFFAOYSA-N 412.450 1.880 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C/[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1449091885 YPFKDYGKDUFJNC-GFOMBABLSA-N 418.538 1.083 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCO[C@]4(CCCOC4)C3)CC2=O)cc1Cl 1449328098 QGSLNQSPXSLMLS-FOIQADDNSA-N 403.866 1.973 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N=[S@@](C)(=O)c2ccc(N(C)C)cc2)c1 1454635457 ZBXVGPXYYWQZDW-MHZLTWQESA-N 419.528 1.961 30 10 HDEE C#CC1(NC(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CCCC1 1455184960 HOHAEQJAYMYBSY-OWCLPIDISA-N 410.536 1.719 30 10 HDEE COC[C@@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)C1CCOCC1 1460409558 KUZNBNKVQBAPSP-RTWAWAEBSA-N 418.513 1.566 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C[C@H](O)COc2ccccc2C#N)CCO1 1460561826 XDTCAXNVOVIIHP-UWJYYQICSA-N 406.479 1.357 30 10 HDEE Cc1[nH]nc(Br)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1467706012 FFAGMYDMYHPLCA-ZDUSSCGKSA-N 402.252 1.883 30 10 HDEE C=CC1(CC(=O)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)CN(C(=O)OC(C)(C)C)C1 1469410439 KQFPJEOPLCDSJP-IBGZPJMESA-N 414.524 1.216 30 10 HDEE CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)ccc1F 1469545374 LSVWPHDGDGIJAG-QGZVFWFLSA-N 416.478 1.956 30 10 HDEE C#CCN(C(=O)c1ccc(=O)n(CCOC)c1)C1CCN(C(=O)OC(C)(C)C)CC1 1471882147 JWHYZNKKYFWBOJ-UHFFFAOYSA-N 417.506 1.970 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2oc3ccccc3c2Br)CC1 1473347913 QJAHOKSVIAURPC-UHFFFAOYSA-N 412.309 1.781 30 10 HDEE C=CCC1(O)CCN(CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)CC1 1473809914 RNCOJPDVPLZGLZ-UHFFFAOYSA-N 401.555 1.960 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN1CCO[C@@](C)(C#N)C1 1473837043 HUYHEUYCPOBPPG-FQEVSTJZSA-N 420.535 1.723 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@@](C)(Cn2cccn2)C(N)=O)n(C2CCCC2)c1C 1473871985 CTJZFXGTUWQSDC-NRFANRHFSA-N 411.510 1.761 30 10 HDEE Cn1cc(Br)c(CNC(=O)N2CCN(c3cc(C#N)ccn3)CC2)n1 1478669821 GGBMZGKRNJOKBH-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(N2CCCC2)nc1)[C@@H]1CCS(=O)(=O)C1 1507628963 ZCWOXIBMUPHDJU-GOSISDBHSA-N 414.535 1.257 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(-n2cccn2)c1 1507666574 CFYVROYZMSTBEL-SFHVURJKSA-N 414.473 1.321 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC)[C@@H](C)C1 1507844080 BSSXJLIURGONQJ-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507956910 IHYMIBGEWUBEJC-IAGOWNOFSA-N 416.526 1.354 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](COC)C1 1508075229 VOZRWHGZMVFLRD-CQSZACIVSA-N 406.874 1.147 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1509943032 ARVIFCKPCGHHKM-SCLBCKFNSA-N 423.926 1.886 30 10 HDEE C#CCC1(C(=O)NCC2(CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCOCC1 1512633458 LKOZUFVMPPZWOL-LFDJNIOPSA-N 400.519 1.633 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1516953133 ICHZELSCVSCJNS-KRWDZBQOSA-N 423.521 1.777 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1516969230 CVICMXIXAGOELL-LJQANCHMSA-N 423.521 1.206 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)NC2CCC(Oc3ncccc3C#N)CC2)C1=O 1517565992 CUWOFUJQENFEFU-OFLPRAFFSA-N 414.462 1.171 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1519039174 YCEYRDNDCUUSEY-UHFFFAOYSA-N 419.507 1.390 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCCCNS(=O)(=O)c1ccccc1Cl 1524268646 NGEHQBPWYCHOJN-OAHLLOKOSA-N 401.916 1.596 30 10 HDEE C#C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccnc1)c1ccc(Br)cc1 1528082354 WZMPDGWEUIBNFA-INIZCTEOSA-N 422.304 1.955 30 10 HDEE C#CCN(C(=O)COCCc1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C1 1528600193 VGXOXVKCNCYUBM-MRXNPFEDSA-N 414.321 1.657 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)[C@H]1c1nccn1C 1538556342 RRGIGJAIKKITLE-HOJAQTOUSA-N 423.473 1.180 30 10 HDEE C#CCO[C@H](C)C(=O)NC1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1538699970 GZYIFELPLNHBID-CQSZACIVSA-N 410.492 1.011 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1539025687 LDZOWQGIWROEJD-CABCVRRESA-N 412.460 1.743 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1C[C@H](N1CCOCC1)C(F)(F)F 1539034263 BKBAWDYGVXGHGQ-KFWWJZLASA-N 401.433 1.851 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C1CCCC1 1539126640 ZJIJVNCXEQSZMD-KRWDZBQOSA-N 409.556 1.793 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1539132514 MBCDOEHPHYXQBQ-KRWDZBQOSA-N 410.482 1.822 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CCN1CCN(C)C(C)(C)C1 1539178401 HQBOJYRZBQQOCQ-HXUWFJFHSA-N 424.549 1.886 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCOC1 1539337087 CZEUWJYCXJZDHN-HMFYCAOWSA-N 400.523 1.811 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1539416648 RAEHNRFPQQOREO-SJORKVTESA-N 410.540 1.083 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)C(=O)C1 1539513950 UBQKAYYYGNFMFZ-UHFFFAOYSA-N 400.552 1.955 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](OCCOC)C1 1539626899 HAWADMGUJUVEHT-LMMKCTJWSA-N 414.510 1.958 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)CN1CCN(CC)CC1 1539668113 SXBILAWXRYKJTL-OALUTQOASA-N 417.602 1.905 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539760150 WEXQFNDLFKKCGX-HRCADAONSA-N 400.545 1.980 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2CCC(=O)N2CCOCC2)CC1 1539891906 MZYGXBFPMLVOHS-UHFFFAOYSA-N 410.522 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCC[C@@H](CC(N)=O)C1 1540867919 MBHCIFDAEYODSN-AWEZNQCLSA-N 416.913 1.993 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1540877688 CABWQTIOYCKKPV-QZTJIDSGSA-N 408.462 1.571 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(N(C)C)CCSC2)C1 1540891697 YGPJTXNYNMKZPK-QINHECLXSA-N 420.583 1.448 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1541990285 DEKKRIXLBMKBIY-QAPCUYQASA-N 407.540 1.615 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCOCC(F)F 1544555624 WWQOCHRUDKWTOG-CYBMUJFWSA-N 404.421 1.765 30 10 HDEE COCC[C@@](C)(O)Cn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1555424794 SSFPRAYMUHZZNW-OAQYLSRUSA-N 411.510 1.536 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(C(N)=O)CCCC1 1555636928 MXAKGKHNNIFREL-LIRRHRJNSA-N 408.478 1.490 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCCO)C1 1555798568 GXLLUJRHWASOHD-GOSISDBHSA-N 417.535 1.993 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C1 1557243621 WKMSBDLJZOLCFS-XLIONFOSSA-N 417.469 1.736 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1 1558490484 CNVVHBKSYNQWOB-UQASEVPWSA-N 413.499 1.434 30 10 HDEE Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)CCN/C(O)=C2\N=CC=CC2=O)o1 1565814374 VGFWNTWELUIIRH-QBNCKDSPSA-N 407.430 1.921 30 10 HDEE CC(C)CN(CCC#N)C(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1583569537 MUFROFJOGUDLRN-HNNXBMFYSA-N 401.529 1.809 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2ccnc(-n3cncn3)c2)CC1 1587240028 SBKUQDDCLIQQSU-UHFFFAOYSA-N 410.478 1.929 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1588074332 MABSUOZSNUJAOS-GDBMZVCRSA-N 406.533 1.866 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1588138591 GFVJYXNDUWKJES-SFHVURJKSA-N 403.552 1.129 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C(C)C)c(=O)c3ccccc23)n1CCOC 1588629088 XGFZOLSYCAWRQX-UHFFFAOYSA-N 424.505 1.968 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2Cc2cccc(C(=O)N(C)C)c2)CC1 1588801174 XWONQGGYPOYRLW-UHFFFAOYSA-N 417.517 1.779 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)N(C)c2ccccc2)CC1 1588806280 LVWFMCPEXVCHCR-AZUAARDMSA-N 421.549 1.509 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCn2ccnn2)CC1 1588848671 KMXRJIPTIQTHIZ-UHFFFAOYSA-N 408.485 1.445 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1589482058 FMZSKOHEJAHUGQ-OWSLCNJRSA-N 403.527 1.702 30 10 HDEE C=CCN(C(=O)Cc1csc(SCCN(C)C)n1)[C@H]1CCS(=O)(=O)C1 1597170942 QVXVIXFVHOVEBU-AWEZNQCLSA-N 403.595 1.541 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1598063317 SWGUFZCFSCYHHV-HDICACEKSA-N 410.478 1.541 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)Cc2ccc(O)cc2)ccc1F 1598218514 UMNJNCIOGHGBIG-HNNXBMFYSA-N 408.451 1.329 30 10 HDEE CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1614527701 YNQGVFIKBVNYME-UHFFFAOYSA-N 408.510 1.794 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1617386744 APWWLPGHPIXIFM-LLVKDONJSA-N 409.414 1.426 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCCCCC1 1620025267 OQCDVOGSUCFUQT-ROUUACIJSA-N 406.531 1.607 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)S2(=O)=O 1620487700 BPKWJVOZJBWTKN-ZACQAIPSSA-N 405.520 1.982 30 10 HDEE C#CCN(C1CSC1)S(=O)(=O)c1c(OC)nn2cc(Br)cnc12 1622467120 TXDHNNIYFLGNMV-UHFFFAOYSA-N 417.310 1.240 30 10 HDEE N#Cc1cn(CCC(=O)NCCCc2nc(-c3ccccn3)cs2)c(=O)nc1O 1627785456 SBLAAQKAYHEYRW-UHFFFAOYSA-N 410.459 1.478 30 10 HDEE CN1CCN(C)[C@@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1627802111 GIQLRBYUEVVHKR-GWWPLSDWSA-N 405.543 1.135 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(c4cc(F)ncn4)CC3)n[nH]2)c1C 1628114041 ANNOSDKBNYTAEA-UHFFFAOYSA-N 410.457 1.968 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3c(F)cccc3F)no2)CC1 1628146565 LGYBRHRGGAUVNU-UHFFFAOYSA-N 402.401 1.517 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)C1 1631336252 SCSRYGINQNMWEK-HKUYNNGSSA-N 406.490 1.772 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCc2cc(C(=O)N3CCO[C@H](C#N)C3)ccc2NC1=O 1632583956 ZCACGCSUDGNEHE-NVXWUHKLSA-N 414.462 1.829 30 10 HDEE CN(C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1634600927 FEFHHDWWVSOLMQ-QRWLVFNGSA-N 404.898 1.480 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2N(C(=O)OC(C)(C)C)CCCC2(C)C)CC1 1634876300 KGCACXIGLGXWET-SFHVURJKSA-N 420.554 1.306 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 1635758146 ZVHMUXBKODCWDR-JOCHJYFZSA-N 416.522 1.737 30 10 HDEE C=CC[C@H]1CCCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1635971241 NTCLSSQKJDRHOO-HNNXBMFYSA-N 421.519 1.828 30 10 HDEE C[C@H](CNC(=O)CCn1cc(C#N)c(O)nc1=O)c1ccc(Br)cc1 1636288471 JEMPXUWGGJGPQO-LLVKDONJSA-N 405.252 1.893 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccsc2-n2c(C)ccc2C)CC1 1636475489 KQVRWZANMDPVNN-UHFFFAOYSA-N 406.533 1.381 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1636661077 ZEMLPVXKERISCD-HNNXBMFYSA-N 416.474 1.442 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1637390409 ULWLYEVKECHIQL-IRXDYDNUSA-N 411.499 1.706 30 10 HDEE CCC[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1637930801 CROLTKBLRJUPTP-KXSVDRQTSA-N 404.511 1.900 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)[nH]n1)C(=O)OC 1639558584 LVYWEVGPXJKRBU-CZUORRHYSA-N 422.482 1.608 30 10 HDEE O=C(CCN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCC(F)(C(F)(F)F)C(F)(F)F 1641763065 PIWCHRGJERCEBK-KHUVANEUSA-N 420.281 1.488 30 10 HDEE C#CC[C@H](NC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)C(=O)OC 1642412069 ZYPIGVXYBGYEPH-KRWDZBQOSA-N 416.455 1.165 30 10 HDEE N#Cc1c[nH]c(C(=O)N2CCN(c3ncc(I)cn3)CC2)c1 1643192484 GMVMZUZHTJLOOT-UHFFFAOYSA-N 408.203 1.243 30 10 HDEE C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1643304114 DAXGGMJJDXXTOM-HZMBPMFUSA-N 415.397 1.378 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cc([N+](=O)[O-])ccc2Br)c1=O 1643558269 XPJGDGQKQWVNFI-UHFFFAOYSA-N 423.223 1.263 30 10 HDEE Cc1cc(C)cc(OCCN(C)C(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1644636893 QLCJOGJUJXNCLK-PXNSSMCTSA-N 405.520 1.011 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1 1650957530 DFWQEWNQQFQPMN-WRWORJQWSA-N 402.266 1.992 30 10 HDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nn(C)cc1O 1653245499 QXHZFMQVYDDTGK-CYBMUJFWSA-N 419.507 1.602 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)nc1 1653798662 MJVVICKUPGDNBD-WFASDCNBSA-N 402.398 1.333 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCOC[C@@H]2[C@@H]2CC[C@H](COC)O2)c1 1660289518 IYQXYZICRRURNZ-QRVBRYPASA-N 401.463 1.211 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)c1ccc(NC(=O)C2CC2)cc1OC 1664414977 VHAXSNSFKGEFJM-UHFFFAOYSA-N 405.520 1.762 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3CCCCC3)c2)CC1 1667785554 DACDFOGPBHPYMV-UHFFFAOYSA-N 405.524 1.294 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1680776845 GNUZDVHGAUEMSB-QUCCMNQESA-N 421.519 1.453 30 10 HDEE Cn1c(S)nnc1CCNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1681805914 ZQUFCGQUNXQDCA-UHFFFAOYSA-N 401.496 1.602 30 10 HDEE N#Cc1cn(CCNC(=O)NC/C=C/c2ccc(Br)cc2)c(=O)nc1O 1682626521 DQQGTVPFLYFKBY-OWOJBTEDSA-N 418.251 1.596 30 10 HDEE COc1ccc(CCC(=O)N2CCCN(C(=O)NCC#CCN(C)C)CC2)cc1 1684870403 YXKNEKRALFZRKG-UHFFFAOYSA-N 400.523 1.437 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1cc(OC)c(OC)c(OC)c1 1690012162 SPEGNYLBIBIHJP-UHFFFAOYSA-N 420.473 1.826 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1C[C@@H]1CCS(=O)(=O)C1 1690085852 HRNZSIGJHAYYOC-INIZCTEOSA-N 418.519 1.760 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC(F)F)c2)n1CC(=O)N(C)C 1690095592 WJTUTRZPFKFSKE-UHFFFAOYSA-N 407.421 1.721 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)O[C@H](C)C1 1690170748 PDAMFADKUMHVCH-ZIAGYGMSSA-N 403.508 1.986 30 10 HDEE C#CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1690186763 URESADBVGNGHCV-FQEVSTJZSA-N 421.567 1.355 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(C)=O)CC1 1690237141 VZOJEUTYVWYLQF-MSOLQXFVSA-N 416.526 1.164 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(CC(=O)NCC)CC2)nnc1C(C)(C)C 1690255898 XWLSZGOLQVNCBM-HKUYNNGSSA-N 418.586 1.815 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1690414582 CCJMLWBKNZVTHB-INIZCTEOSA-N 400.527 1.718 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1690430917 XEPBITHWZHXKFL-CVEARBPZSA-N 415.542 1.872 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OC(C)C)CCOC1 1690653254 JHAHRMBVIKMNSD-RXVVDRJESA-N 416.526 1.915 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCN2CC)C1 1690709766 LCOGHJSIEDBHRA-MSOLQXFVSA-N 402.543 1.666 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC[C@H]2COCCO2)CCOC1 1690995494 JRXPJSSMEKCMTP-FUHIMQAGSA-N 407.515 1.720 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)cs1 1693341093 IQPNOUAEAZYXJF-HUUCEWRRSA-N 403.556 1.950 30 10 HDEE C[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1693830901 UHXBUUZCTGTECJ-JGWKNBOWSA-N 400.483 1.372 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNC(=O)c1cc[nH]n1 1694760814 BCELNBNHXHUPSS-SJORKVTESA-N 404.478 1.737 30 10 HDEE CC/C=C\Cn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1695004128 FJBJNZGGRVZCFN-ARJAWSKDSA-N 420.521 1.960 30 10 HDEE CCCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)CC1 1695414427 KXWNFKXYVLQGLU-UHFFFAOYSA-N 420.477 1.991 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(CC#N)CC2)n1CC[C@@H]1COCCO1 1698244258 MCPHVHVRFLQPDI-OTWHNJEPSA-N 419.526 1.938 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCOC)[C@H](CCC)C1 1705533877 SXZDDGHBGFEGDS-MSOLQXFVSA-N 402.543 1.580 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1705541440 JEMXRAQVEABDPQ-CYBMUJFWSA-N 401.496 1.077 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1c2ccccc2C[C@@H]1C 1705542093 YFTCSVZUMMDFAV-HOTGVXAUSA-N 416.551 1.409 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1705564439 OJFORELXKOKIQU-SJLPKXTDSA-N 415.519 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCCN1CCOC1=O 1705575831 ZOFGGAGHBNGVDK-UHFFFAOYSA-N 423.473 1.877 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)n1 1705580773 NTDABXXKZHLDKR-CQSZACIVSA-N 402.380 1.764 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@H](c2cccs2)N(C)C)CC1 1705643279 ZEFOAXSGPTXNEZ-QGZVFWFLSA-N 402.568 1.934 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1 1705661360 ZTDXOVSJOZVPSY-HNNXBMFYSA-N 409.556 1.937 30 10 HDEE C=C(C)COCCn1c(N2CCN3CCOC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1705740757 WFOLWRUHBMHHJI-NQIIRXRSSA-N 421.542 1.044 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCO[C@H]2CCOC2)CC1 1705768877 CEQMVUAMSHLION-SJORKVTESA-N 410.540 1.532 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCO[C@@H](CC)C1 1705896731 WPTOFEZHJIWCSY-INIZCTEOSA-N 415.494 1.880 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1709747116 DPNHXZFOCBDERU-MRXNPFEDSA-N 402.524 1.992 30 10 HDEE CN(C)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1 1710978330 HXPQWVQZIGCRSY-INIZCTEOSA-N 422.555 1.179 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)C[C@H]2CCOC2)C1=O 1711272007 KGLKQYOQLZKREU-VGSWGCGISA-N 424.505 1.680 30 10 HDEE CS(=O)(=O)CCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C#N)CC1 1712699978 OUZILGHYDYTFDZ-UHFFFAOYSA-N 420.495 1.180 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1722274123 CJFIOLMNFPZZRP-HNNXBMFYSA-N 402.499 1.450 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(N)=O)c1 1722306254 PWTZLXMOXUPLKB-MNEFBYGVSA-N 411.506 1.802 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CCCC1=O 1722352745 KRZIDQUDRICMFE-GOSISDBHSA-N 406.490 1.469 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1722362905 CYSMVGCSLGSUBQ-IRXDYDNUSA-N 404.540 1.623 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CCCN2CCCCC2=O)CC1 1722437953 XNDXIBUJTPXOLK-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(CC)ns2)CC1 1722525195 SCLLPDXUSZWZTG-UHFFFAOYSA-N 416.555 1.717 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2csc(CC)n2)CC1 1722699426 IEGFZRUYVKFCJX-UHFFFAOYSA-N 403.556 1.484 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCOCC2(CC2)C1 1722729125 FYMUTIXNZMLLRX-UHFFFAOYSA-N 417.535 1.482 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(Cl)c2)nnc1N1CCO[C@H](C#N)C1 1729339611 MLWVHWSBLCMKLL-QGZVFWFLSA-N 404.902 1.905 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1scnc1C 1730953810 BBOOWNFHCXFORA-ZOBUZTSGSA-N 418.523 1.739 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(=O)NC(C)C 1740531299 JMUGSPGQEXHKDH-CQSZACIVSA-N 416.913 1.844 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2OC)n1CCCNS(C)(=O)=O 1740548872 AMZUBPHZAFUDKT-OAHLLOKOSA-N 405.524 1.275 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2Cc2ncn(C)n2)c1 1740564685 UVEASMUQJJKPBV-INIZCTEOSA-N 420.477 1.015 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740579228 QLSNIQHKYVXUTM-DYESRHJHSA-N 403.527 1.824 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1CCNS(=O)(=O)c1ccc(C)s1 1740606482 FKPXLLYMNSTBDX-UHFFFAOYSA-N 418.548 1.701 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(Cl)c1 1740608980 GAKQCTJODXVAJA-AWEZNQCLSA-N 408.911 1.960 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)SC)[C@H]1CCS(=O)(=O)C1 1740621987 RMKGVBYFVKZCAM-HNNXBMFYSA-N 422.580 1.447 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCSC1(C)C 1740648689 JXMYHZVPKMOVKF-HOTGVXAUSA-N 423.608 1.883 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1740653752 XHMHEHCGCMHHHE-LJQANCHMSA-N 417.517 1.736 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1CCNC(=O)c1ccco1 1740684314 MYFOOIQVRHPYLD-UHFFFAOYSA-N 408.462 1.758 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)CN2CCCC2)CC1 1740688227 CCEGTBGPSGNKAZ-IBGZPJMESA-N 413.570 1.001 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)C(=O)NCC2 1740724153 YMQTZYLYSQTUAD-HSZRJFAPSA-N 420.517 1.743 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@H](C)CC(N)=O 1740792395 IHNDUSRQFNHQPE-CYBMUJFWSA-N 404.471 1.299 30 10 HDEE C=CCSCCn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1[C@@]1(OCC)CCOC1 1741004877 OVMGJWKAXRXYFU-HNAYVOBHSA-N 409.556 1.516 30 10 HDEE CCOCc1nnc(N2CCN(Cc3cc(C)no3)CC2)n1Cc1ccc(C#N)o1 1747200373 GJPPDYUUYVPYMD-UHFFFAOYSA-N 411.466 1.946 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@H]3CCOC3)n2CCC(C)(C)O)c1 1748692431 HJJLGZRSFDPNAK-KRWDZBQOSA-N 411.506 1.999 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1748715017 MISVFKAYRXBUTR-IBGZPJMESA-N 416.570 1.576 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21 1748825622 AYKQWASZJIOFDQ-SJLPKXTDSA-N 411.531 1.691 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CCC1 1748960990 TZFVILSVCHQRHT-UHFFFAOYSA-N 408.462 1.595 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2(CCOC)CC2)CC1 1748972030 AAQLUGBJJBBTEJ-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC(C)C)CC2)CC1 1748972055 AVFSYWJLSCMYHB-KRWDZBQOSA-N 422.599 1.470 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)N(C)C)CC1 1748999283 NYNQUOXRMITVIF-UHFFFAOYSA-N 424.549 1.707 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(OC)C1 1749021924 CMUVYELABCCJGI-RHSMWYFYSA-N 415.585 1.260 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCC([C@@H]2NC(=O)N(C)C2=O)CC1 1749174688 YIWILYWIXGYGHQ-ZBFHGGJFSA-N 420.514 1.345 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCCO1 1749457142 GRVDSBJFWDLASX-DLBZAZTESA-N 412.556 1.778 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1c(C)nc2ccccc21 1749464898 HNZFMTKEPYMFHM-CQSZACIVSA-N 417.539 1.869 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1749590901 ISYCPCBKARDKRS-UWJYYQICSA-N 401.511 1.677 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(CC)Cc1ccccc1F 1749649977 FMYSDXUWDATGBK-UHFFFAOYSA-N 402.474 1.884 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCNC(=O)C2CC2)CC1 1749828515 FMBXXPPHVSIEHK-UHFFFAOYSA-N 421.505 1.402 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCc1cccc(C(N)=O)c1 1750955672 CASZUQZPWAARPR-JOCHJYFZSA-N 423.521 1.888 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(C(N)=O)CCCC1 1760122390 KRZBRCHAOFLPHO-CQSZACIVSA-N 414.535 1.773 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1Cc1cnn2ccccc12 1760208108 JEWLBIGRHYPAOT-UHFFFAOYSA-N 401.474 1.673 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)NC(=O)OC(C)(C)C 1760218186 ZVSIKSLHNZPENG-CVEARBPZSA-N 414.510 1.605 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2CC(F)(F)F)n1 1760251906 HEAVKLBXXKQTOA-UHFFFAOYSA-N 420.399 1.780 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC2([S@@](C)=O)CC2)CC1 1760381295 HJGLFNOLFHZWKV-MUUNZHRXSA-N 400.508 1.993 30 10 HDEE C=CC1CCN(c2nnc(CN3CCCC3=O)n2Cc2cccc(C(N)=O)c2)CC1 1760404760 KVWHWUADGMLKGU-UHFFFAOYSA-N 408.506 1.950 30 10 HDEE C=CCN(C)c1nnc(COc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1760468587 ZDFFQASWIZMSDP-UHFFFAOYSA-N 416.501 1.783 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760494751 ZMYVMPUHMTZZFK-SJORKVTESA-N 409.556 1.632 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@]2(CCCOC2)C1 1760518881 KUSRKDNIYIISCQ-IIBYNOLFSA-N 415.494 1.923 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCN2CCCC[C@@H]2C1 1760553285 ACYUBYVRGRUADF-MRXNPFEDSA-N 417.539 1.010 30 10 HDEE CCc1nn(C)c(OC)c1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](F)(C#N)C1 1764672552 DSEHJMMVRPWKHC-LJQANCHMSA-N 418.477 1.211 30 10 HDEE CCOCCC1(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@@]2(OCC)CCOC2)CC1 1766513540 XYNSVSLPTMCNDK-LAUBAEHRSA-N 419.526 1.866 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H](COC)OC)C1 1767607376 IACYHGDYGLIKSI-DYESRHJHSA-N 412.494 1.441 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1Cc1ncnn1C(C)(C)C 1769847000 OMMZDWNXFQUWJK-OAHLLOKOSA-N 402.503 1.891 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCOC3)n2CC(=O)NCC(F)(F)F)CC1 1770743697 AEFSRAZQVZXBKQ-CYBMUJFWSA-N 400.405 1.591 30 10 HDEE COCCCN(C)CCn1c(Cc2cccnc2)nnc1N1CC[C@](F)(C#N)C1 1771041917 WWBOFCFNJGEMCJ-FQEVSTJZSA-N 401.490 1.674 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC1OCCO1)C(=O)ON1C(=O)c2ccccc2C1=O 1772792744 GIUHJBQOPWSFQJ-ZDUSSCGKSA-N 406.391 1.397 30 10 HDEE N#Cc1ncccc1OC1CN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1 1848757481 UMSXSKSGBFQUTJ-UHFFFAOYSA-N 412.471 1.641 30 10 HDEE Cc1[nH]c(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(C#N)c1C 1851309558 AGGZCVJPSVUTNH-GOSISDBHSA-N 400.504 1.783 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)Nc3nccc(-c4cccc(C#N)c4)n3)C2)cc1=O 1851374734 BBBCRRPMJNGSGP-QGZVFWFLSA-N 415.457 1.964 30 10 HDEE N#Cc1c[nH][nH]c1=NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 1852097118 MUONDKQPWSYASY-MOPGFXCFSA-N 404.474 1.573 30 10 HDEE Cc1cc(C)n2nc(C(=O)OCCN3CCN(c4ncccc4C#N)CC3)cc2n1 1852234433 AIIWWKIKMXEVNW-UHFFFAOYSA-N 405.462 1.592 30 10 HDEE N#Cc1ccnc(NC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)n1 1852247197 LKKBEWWZZNBSAF-UHFFFAOYSA-N 406.425 1.919 30 10 HDEE N#CCC(=O)NCCOC(=O)C1CCN(c2nccn3nc4c(c23)CCCC4)CC1 1852828744 ZEBQXCOLYHJBBV-UHFFFAOYSA-N 410.478 1.398 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CC[C@H](N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O 1854199211 HRIVXMLDVPZCIV-MJGOQNOKSA-N 419.547 1.723 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCCO4)C(=O)C3)C2)c(F)c1 1854318954 LMKQCUZBIOIRMP-UYAOXDASSA-N 414.481 1.512 30 10 HDEE CC1(C)C(=O)N(C(=O)C[C@H]2CCOC2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854517129 NUHXLPLNZGGYRI-OAHLLOKOSA-N 405.476 1.123 30 10 HDEE C[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(S(=O)(=O)CC#N)CC1=O 1854617185 MMRRHHCVLFFKIC-CQSZACIVSA-N 401.444 1.131 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)C1=O 1854651724 VXQUAXMHPCKFOC-FUHWJXTLSA-N 401.511 1.022 30 10 HDEE N#CCCN1CC[C@@H](N2CCN(C(=O)Cc3noc4ccc(Cl)cc34)C(=O)C2)C1 1855019344 NNSLIRJNGHUGKV-OAHLLOKOSA-N 415.881 1.682 30 10 HDEE Cc1c(Cl)cccc1N1C[C@@H](C(=O)N2CC[C@H](N(C)CCC#N)C2=O)CC1=O 1856496186 BPUWADNFTJTUGW-YOEHRIQHSA-N 402.882 1.974 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCN(CC(F)(F)F)CC3)C2=O)cc1 1856574758 BSDGWKGLDZGZEJ-KRWDZBQOSA-N 408.424 1.798 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)c1ccncc1F 1856906150 KRVQGOZDELOWTH-UHFFFAOYSA-N 416.434 1.874 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CSCc3ccc(OC)cc3)OCC2=O)CC1=O 1857047329 ZBZAXFQZCUPZFI-FUHWJXTLSA-N 418.515 1.717 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc(F)c(F)c2F)C1)[C@H]1CCN(C)C1=O 1857263503 HLCOJXHEONXIQV-WFASDCNBSA-N 409.408 1.811 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2ccc3cccnc3n2)C1)[C@@H]1CCN(C)C1=O 1857299901 WHIWAIHXARGHGS-MAUKXSAKSA-N 407.474 1.337 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)cc1 1857306385 RLRXTXGPHHAWGU-LJQANCHMSA-N 417.531 1.912 30 10 HDEE CCc1cc(O)nc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)n1 1859430876 HFBUSQNUSNOKDR-UHFFFAOYSA-N 412.519 1.927 30 10 HDEE O=C(/C=C/c1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])cn2)CC1 1860634491 SVJKOLOGDWHOSV-XVNBXDOJSA-N 411.374 1.829 30 10 HDEE CCOc1ccc(-n2nc(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)c(=O)cc2C)cc1 1866285836 LXMJMWHXNBTGMV-UHFFFAOYSA-N 403.402 1.275 30 10 HDEE C=CCN(CC=C)c1nc(=NCCOC)[nH]c(=Nc2ccc(OC)c([N+](=O)[O-])c2)[nH]1 1871706370 ZXHFKQUOTJDDMN-UHFFFAOYSA-N 415.454 1.613 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(F)c(F)c2)cc2c(N(CCO)CCO)ncnc21 1873646140 FUMBBLDJTOUSDV-UHFFFAOYSA-N 417.416 1.939 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2COC[C@@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1880980466 RVTWFQVWOCYAAN-YUNKPMOVSA-N 402.403 1.624 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(C(=O)NCC#CBr)C1 2021164419 GZQNAUDFNKTMSO-QWRGUYRKSA-N 404.261 1.494 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(N)cc2C#N)C1 2162918922 VEBDCGNKUJJKQX-ZBSNKRKSSA-N 414.509 1.594 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)N1CCN([C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174773436 YAGMZRHNQCUMNL-HOTGVXAUSA-N 400.545 1.493 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174788789 JBKZTKDLMIROBZ-OAHLLOKOSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)C2=CCS(=O)(=O)CC2)S(=O)(=O)C(C)(C)C1 2232543847 WXSHKMLBBMRIBP-CYBMUJFWSA-N 421.537 1.113 30 10 HDEE C[C@H](CN(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1)NC(=O)OC(C)(C)C 2243386911 JXZAMOCGIJAUQF-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247857841 YVWMNXANZYAKMH-GFCCVEGCSA-N 423.323 1.100 30 10 HDEE CN(C(=O)OC(C)(C)C)C1(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)CC1 2247919532 WMHIZYQOZTXEPJ-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE C[C@@H](CC[S@@](C)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267725716 CVTRMTRYAXEPID-APXPCNQMSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](N)[C@H](CO)C3)c2Cl)OC1(C)C 2281936545 OHEIYEJEQYLRNB-JQWIXIFHSA-N 400.737 1.482 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@](C)(CO)C1CC1 2282314203 VZXHMUAORDAWKN-QGZVFWFLSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(C)COCCO3)c2)OC1(C)C 2282331159 KFUOFHBORZEQAC-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@@]1(C)O 2282335195 MDTOGLYKICBYNF-YVEFUNNKSA-N 401.359 1.829 30 10 HDEE C=CC[C@@](C)(CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282498111 ZEBFTGHGYZZPAY-QGZVFWFLSA-N 401.359 1.900 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CCC[C@H]2CCO)OC1(C)C 2282506988 ACOKWUCDJCFWOQ-LBPRGKRZSA-N 402.347 1.119 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282526692 UEMNFQIRVKOPPG-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@@H]2CCC[C@@H]2O)OC1(C)C 2282835490 VMNRBQPMCQUCNN-AAEUAGOBSA-N 402.347 1.023 30 10 HDEE CO[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CSC 2282836029 DQKQQGRZWJZHDJ-LLVKDONJSA-N 422.403 1.240 30 10 HDEE CN1C[C@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1(C)C 2282847968 HJWMWZCPACKALH-CYBMUJFWSA-N 400.375 1.808 30 10 HDEE C[C@@H]1CC[C@H](CO)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850946 VHFNITNROWQBBT-OLZOCXBDSA-N 401.359 1.829 30 10 HDEE CC(C)SC[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282854244 PDIKSJQSFFPGJA-GFCCVEGCSA-N 403.379 1.528 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1CCN 2282855170 ANIPSAHSSQNWFN-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@@H](C)N1C 2282855810 JRLMCCNGKNYRNY-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H]2CN)c1B1OC(C)(C)C(C)(C)O1 2282875700 SQVHCBLVVMJFQO-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)c2)OC1(C)C 2284406739 BTVSVNSXRGSFQK-LLVKDONJSA-N 401.315 1.533 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCCC#CCO)cc2Cl)OC1(C)C 2343612359 CLOLCJSMWYWLRP-UHFFFAOYSA-N 405.734 1.365 30 10 HDEE CC1(C)COC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2361156558 QQWVWUSSHJFHRF-GFCCVEGCSA-N 401.359 1.998 30 10 HDEE CSC1(C(=O)O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2362091024 UFOQBGSIMJPFGW-UHFFFAOYSA-N 419.355 1.238 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367783300 GJSTUAFFKMBKNY-BZUAXINKSA-N 400.541 1.556 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367792618 QCJGHHMDBQORQA-OWCLPIDISA-N 400.541 1.699 30 10 HDEE CN(C[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)C(=O)OC(C)(C)C 2367793852 FEGZBSZXWQYGPS-KRWDZBQOSA-N 403.497 1.684 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C1(NC(=O)OC(C)(C)C)CC(OC)C1 2367799739 CVADZSXNTMMCEE-HVEKOLDVSA-N 400.541 1.617 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOC[C@@H]1NC(=O)OC(C)(C)C 2367807021 PGBOYROYFZGRCZ-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CS(=O)(=O)C1(C#C[C@@H](N)[C@@H](O)c2cccc(I)c2)CC1 2367815375 FAGUZCVXUGGGHB-OLZOCXBDSA-N 405.257 1.233 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)CCNC(=O)OC(C)(C)C 2367819382 OUPNZOBRLZVVHH-YJBOKZPZSA-N 402.557 1.601 30 10 HDEE C[C@](C#N)(NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C1CC1 11242461 ZYIXIYXVNXXKSS-HXUWFJFHSA-N 419.503 1.439 30 10 HDEE C=CCN1C(=O)N[C@H](c2ccc(F)cc2)C2=C1CN(CC(=O)NCC(C)C)C2=O 35945345 IHTAJLAQWUMVBG-LJQANCHMSA-N 400.454 1.947 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc3sccn3c2[N+](=O)[O-])CC1 52712914 GTXAVGIMLQPIPG-UHFFFAOYSA-N 418.460 1.687 30 10 HDEE C=CCn1cc(/C=N/Nc2nnc(SCC(=O)c3cccc(OC)c3)n2N)cn1 59830083 UPDKLGWERKCSQW-AWQFTUOYSA-N 412.479 1.804 30 10 HDEE COCCn1cc(/C=N/Nc2nnc(SCC(=O)Nc3ccccc3)n2N)cn1 59913959 CLDYCJOVPMCADC-DJKKODMXSA-N 415.483 1.012 30 10 HDEE C=C(C)COc1ccc(NC(=O)CN2CCNC(=O)[C@@H]2CC(=O)OCC(C)C)cc1 66229021 ADUVPGSRMYVITC-IBGZPJMESA-N 417.506 1.970 30 10 HDEE CN(C)C(=O)c1ccc(C#CCNC(=O)CCn2cnc3ccccc3c2=O)cc1 96348231 BOQMOIGYQHCCEV-UHFFFAOYSA-N 402.454 1.656 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(CC)CC3)C2=O)cc1 96573436 RQPPPWMTRKKTIP-QFIPXVFZSA-N 414.506 1.573 30 10 HDEE Cn1c(=O)c2c(nc(NN=Cc3ccccn3)n2Cc2ccc(F)cc2)n(C)c1=O 254826974 QJHFLAXNHCHTIB-UHFFFAOYSA-N 407.409 1.462 30 10 HDEE Cc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)c(C)c1 409721228 GMQGBARYSOFMQX-DLBZAZTESA-N 410.478 1.466 30 10 HDEE C=CCCCS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1 427803936 WVTJECLXBGIABB-UHFFFAOYSA-N 412.493 1.994 30 10 HDEE Cc1c(NC(=O)Cc2noc(-c3cc(C#N)cn3C)n2)c(=O)n(-c2ccccc2)n1C 434199625 DTTCCGOCOUDMRZ-UHFFFAOYSA-N 417.429 1.926 30 10 HDEE C=CCOC[C@H](NC(=O)c1cn(-c2nc(C)cc(C)n2)nc1C(C)C)C(=O)OC 435950853 SXCVUOWWOZJWFF-INIZCTEOSA-N 401.467 1.877 30 10 HDEE CCOC(=O)[C@@]1(COC)CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 439374275 DJSUEMXKZUECBM-FQEVSTJZSA-N 412.450 1.963 30 10 HDEE CCOC(=O)C1(O)CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C#N)CC1 443304625 CWEYLMNOLWPUGJ-UHFFFAOYSA-N 406.382 1.656 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2CCC(C#N)CC2)cc1 443335283 OTUSRZJBCFJFMQ-UHFFFAOYSA-N 418.519 1.878 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cccc(C(N)=O)c3)CC2)c(Cl)c1 443934246 JGGIOLNEWSXHHG-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(c3nc(Cc4cnccn4)no3)CC2)cc1 445687876 BEQDRDJGHURYSH-UHFFFAOYSA-N 410.459 1.890 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](CNS(=O)(=O)c3ccc(C#N)nc3)C2)c1 465497752 VKMWSONQDWEBEQ-CQSZACIVSA-N 402.476 1.775 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc2ccc(=O)n(C)c2c1 470458399 LEJDVDFHWYSYJK-CYBMUJFWSA-N 410.455 1.716 30 10 HDEE COc1cc(OC)c(S(=O)(=O)N(C)[C@]2(C#N)CCOC2)cc1Br 471939801 GSDGHRMPVXTHFO-AWEZNQCLSA-N 405.270 1.769 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)N3CCC[C@@H]3C)c(C#N)c2N)cc1 472593203 SRFZPQHWNAXAOS-HNNXBMFYSA-N 402.524 1.886 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C#N)c(SC)nc1O 476858396 WVCGQLAVUIINFZ-UHFFFAOYSA-N 404.473 1.492 30 10 HDEE Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(Br)c(F)c2)c1=O 477033633 LEFVQCBRUGRZQQ-UHFFFAOYSA-N 422.279 1.130 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCN1CCN(c2ccncc2)CC1 506198338 HDLIXBFZNGGFLE-QFIPXVFZSA-N 415.538 1.972 30 10 HDEE C=CCNC(=O)CNC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 537492733 WENYMGQVDIUOJY-LLVKDONJSA-N 403.298 1.277 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2)cc1 541670552 RFDNLDMSGYSMLX-GOSISDBHSA-N 406.442 1.832 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2coc(-c3ccc(C(=O)OC)cc3)n2)c1=O 542008653 GZODSYNQSKQQHM-UHFFFAOYSA-N 424.413 1.034 30 10 HDEE Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546184404 AKZHFYLQCDRGRY-UHFFFAOYSA-N 401.448 1.989 30 10 HDEE C=C(C)CN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N(C)c2nncs2)c1 552771333 PSSMZWSJXHTEER-UHFFFAOYSA-N 416.550 1.950 30 10 HDEE CCOc1cccc(CCNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1 561834997 WAYSOBPKZQSLTJ-UHFFFAOYSA-N 420.513 1.960 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c(F)c1 586858663 DKCUDXFHRJCTIW-AWEZNQCLSA-N 401.829 1.757 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C(F)(F)F)OC[C@@H]2C)cc1S(=O)(=O)NCC#N 587425847 VATYWTITMHZNMZ-FZMZJTMJSA-N 405.398 1.589 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CCC(C(=O)NCc3ccccc3)CC2)cc1 608889734 WYJDLXFMAMJXFX-UHFFFAOYSA-N 404.470 1.843 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 610620812 LSSHAODDUJHJKC-VQIMIIECSA-N 406.552 1.733 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1CCC 611916018 CAQPMFIYKXZXSO-UHFFFAOYSA-N 406.511 1.897 30 10 HDEE C#CCn1c(=NC(=O)C2CCN(S(C)(=O)=O)CC2)sc2cc(OC)ccc21 725447540 FIQYYLBEIFFHET-UHFFFAOYSA-N 407.517 1.444 30 10 HDEE C#CCN(Cc1nnc(-c2ccc(Br)o2)o1)[C@@H]1CCS(=O)(=O)C1 731213732 PTZMMDVVCYACLR-SNVBAGLBSA-N 400.254 1.714 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cccc(NC(=O)c2cccnc2)c1 731861482 CPUUIJPPQOBBGK-DYTRJAOYSA-N 405.414 1.590 30 10 HDEE N#C[C@H]1CN(C(=O)CN2C(=O)c3ccc(Br)cc3C2=O)CCN1C1CC1 732650532 VZTGXVSSJUPQKF-ZDUSSCGKSA-N 417.263 1.244 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1cc(C)ccc1C)c1ccc(C#N)cc1 740202326 AWZDTMUWCZUMNB-LJQANCHMSA-N 416.455 1.911 30 10 HDEE CCOC(=O)c1cnn(C)c1NC(=O)COC(=O)[C@@H](C)Oc1ccccc1C#N 744691711 OUYNZWXRESDLRD-GFCCVEGCSA-N 400.391 1.418 30 10 HDEE COc1ccc(CNC(=O)NCCNS(=O)(=O)c2ccc(C)s2)cc1C#N 746768255 KLEKUBYPLRRUDL-UHFFFAOYSA-N 408.505 1.715 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)c1 750433345 YQDQIVQCCMKCPC-UHFFFAOYSA-N 421.453 1.433 30 10 HDEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 750627336 FCJMZSRMPSOAJN-ZCXUNETKSA-N 415.450 1.435 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1-c1ccccc1C#N 767885404 SBDPKOCNHUJFTG-UHFFFAOYSA-N 421.507 1.255 30 10 HDEE Cn1cnc(CN2C(=O)[C@@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 768418641 VAEBRBHYATWLSG-OAHLLOKOSA-N 409.475 1.487 30 10 HDEE C#CCN(C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C)[C@H]1CCS(=O)(=O)C1 774152104 FMUOSSMBHUGHGT-IRXDYDNUSA-N 404.467 1.481 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)c2cc(C#N)ccn2)C1 774406027 LKHYRDDVYGEXTJ-HNNXBMFYSA-N 401.467 1.446 30 10 HDEE CS(=O)(=O)c1ccc(C(N)=NOCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 774821553 XTSPBTSKOMHLEY-GFCCVEGCSA-N 407.414 1.528 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC(C)(C(=O)O)CC1 777381209 RTGZSFBLTIXPAB-OAHLLOKOSA-N 421.519 1.997 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)/C=C\C(=O)Nc2ccc3n[nH]cc3c2)CC1 778557810 UAUGHKYBCVNQSB-WAYWQWQTSA-N 401.430 1.673 30 10 HDEE CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c1 780204998 LGTSZVIWTFWUFW-SFHVURJKSA-N 417.443 1.024 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)n1 788655456 XYIBBYMERJLOGB-UHFFFAOYSA-N 409.450 1.081 30 10 HDEE N#C[C@@H](C(=O)CN1CCc2ccccc2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 789491350 JRWNBMJNDJEESS-SFHVURJKSA-N 406.398 1.618 30 10 HDEE C=CC[C@@]1(C(=O)N(C)C[C@H](O)CN2CCOCC2)CCCN1C(=O)OC(C)(C)C 790744775 AGIAILZIKMVPJT-UWJYYQICSA-N 411.543 1.484 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)OC[C@H]1CCN(S(C)(=O)=O)C1 801208815 OUVFTZCKXYFWTJ-HNNXBMFYSA-N 405.476 1.875 30 10 HDEE CCOCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802612512 OJBSJBOXRFSDOI-QGZVFWFLSA-N 401.515 1.117 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O 804458624 GKDVXGKUFGVYIG-PXNSSMCTSA-N 417.465 1.668 30 10 HDEE C#CCC(CC#C)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 806933588 BXEFAGRNMKMTKF-UHFFFAOYSA-N 409.458 1.962 30 10 HDEE CC#CCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1OC 810775508 IXEHUDNNEXVCOF-JQHSSLGASA-N 418.515 1.938 30 10 HDEE CC#CCS(=O)(=O)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1OC 810775511 IXEHUDNNEXVCOF-SZMVWBNQSA-N 418.515 1.938 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1[C@H]2CC[C@H]1[C@H](CO)C2 812360860 WUIUWOOESXNFAG-ZOBUZTSGSA-N 405.520 1.657 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1n[nH]c2ccc(I)cc12 816757850 CEDGUNKVGZIZCJ-SNVBAGLBSA-N 400.176 1.278 30 10 HDEE COc1cc(C=NNc2nc(SCC(=O)Nc3nncs3)n[nH]2)ccc1O 1084349147 OHDHUVZPWCBFOU-UHFFFAOYSA-N 406.453 1.547 30 10 HDEE N#Cc1cccc(C2(C(=O)N3CCN(c4ccccc4S(N)(=O)=O)CC3)CC2)c1 1119043074 AUJYWRSFRSETFN-UHFFFAOYSA-N 410.499 1.586 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCc3nncn3CC2)cc1 1125137230 QKBPEJSMLNMVNL-CGUCZKFASA-N 416.507 1.682 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)Cn2nnc3c2CCCC3)c1 1136282067 XOMFVYUMPANQRK-PYCFMQQDSA-N 416.507 1.608 30 10 HDEE C#CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2cccs2)ccc1O)C(=O)OC 1161365106 OUYSOQXUBYEANF-ZDUSSCGKSA-N 408.457 1.549 30 10 HDEE CCc1ccc(C#CC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)cc1 1165470468 VJFQMJHJAAEFPV-UHFFFAOYSA-N 411.527 1.779 30 10 HDEE CCN(C(=O)CN1CC[C@@](C)(C#N)C1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1174771695 SVOVKKKECITJAK-NRFANRHFSA-N 410.478 1.168 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)NCC#C[C@@H]1CCCCO1 1180363505 XAENABWYTCIQGH-YXMSTPNBSA-N 412.408 1.661 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC 1194086561 BAZXSNZKPGYUQZ-SQNIBIBYSA-N 412.508 1.269 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 1208326498 AWKOYYDGUNFIDD-UHFFFAOYSA-N 403.439 1.011 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCNS(=O)(=O)CC(C)(C)C#N)s1 1209375199 BCGUDWWXCKCXIZ-UHFFFAOYSA-N 407.583 1.790 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(n3cnc(C(=O)OCC)c3N)CC2)cc1 1212121169 XHGZSZXPWYRABU-UHFFFAOYSA-N 402.476 1.649 30 10 HDEE C=CCONC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 1214484528 FKYGUAGNLKQIHP-UHFFFAOYSA-N 424.523 1.937 30 10 HDEE CC(C)(C)S(=O)(=O)N1CCC(NC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)CC1 1226145171 SIPQVVVGWGLTMO-SFHVURJKSA-N 404.536 1.917 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC)c1ccc(Br)cc1 1252459376 RAEMKDKNUJRKJW-MJBXVCDLSA-N 401.282 1.235 30 10 HDEE COC(=O)[C@H](CC(F)F)NC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F 1253799077 BGBSPOHXOJDZRH-YFKPBYRVSA-N 409.258 1.758 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@@H]2COCCO2)c1 1286311211 DUXMICTXTGMZCX-LJQANCHMSA-N 409.490 1.702 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1286335829 XDNYEYNSSWFSLG-UHFFFAOYSA-N 403.527 1.693 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1CCCS(=O)(=O)c1ccccc1 1286435978 PHIUBYIXYNMKRM-UHFFFAOYSA-N 417.535 1.740 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCC(=O)NC(C)C)CC1 1286485932 CPJGCFYVXFFDTG-MRXNPFEDSA-N 402.543 1.672 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286599662 YVTAWDFLPZGJRD-CSODHUTKSA-N 403.527 1.952 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1286673494 XZJOWDZJRSUCSL-CVEARBPZSA-N 424.571 1.809 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](C(=O)OC)C1 1286783600 WCCVPHWCRUXMRN-CQSZACIVSA-N 403.870 1.900 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1 1286785875 SNZDPUHCMNAXHQ-AWEZNQCLSA-N 415.498 1.679 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@@H](C(=O)OC)[C@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1289742350 QHDJUPAWMXNQKE-VTJXTGGHSA-N 424.494 1.753 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2cccc(O)c2)CC1)C(=O)OC(C)(C)C 1294972697 BNEHOLYJBCVNOT-UHFFFAOYSA-N 401.463 1.547 30 10 HDEE C=CCOC[C@H](NC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)OC 1297029799 OAYKUGYBWDZIKR-HQHQJUQOSA-N 407.511 1.505 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(O)c(S(=O)(=O)NC)c1 1297654186 HMDFEOHTSJTBNS-CYBMUJFWSA-N 411.480 1.546 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CCN(C)C)C(=O)C1 1300244848 QSXYHRFRZDQMJV-AWEZNQCLSA-N 402.923 1.255 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1OC 1300308889 QZGKYNIWEOZWLZ-KGLIPLIRSA-N 406.483 1.834 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCS(=O)(=O)CC1 1300357819 YKXMDFVBQWNOIO-UHFFFAOYSA-N 405.480 1.044 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1300412837 IOUMMZMPLWBORF-UHFFFAOYSA-N 416.551 1.538 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@](C)(O)c1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 1300485470 XEFJBEUDIQVOQN-HNAYVOBHSA-N 422.938 1.774 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 1300697698 HVTLZPKDZOPRNA-BJLQDIEVSA-N 414.554 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2COCCO2)CC1 1300718634 CEMFAWTZMOMYCE-LJQANCHMSA-N 423.517 1.635 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCSCC#C)CC1 1300726893 SQVXCFGTNUQHMS-GOSISDBHSA-N 415.563 1.852 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(c2nccn3cnnc23)[C@H](C)C1 1300766064 QQDDQSHQZMWQAP-OAHLLOKOSA-N 411.539 1.360 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)C1 1301686114 DKVCKHKTMOJODC-RDJZCZTQSA-N 401.515 1.397 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2COCCO2)CCOC1 1303490624 VFFMMNNBQAIZMC-XLIONFOSSA-N 405.499 1.474 30 10 HDEE C[C@H]1CSCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1305238633 LQSYBWLEYSQGQJ-GOEBONIOSA-N 412.519 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@]2(CCN(CC(=O)N(CCC#N)CCC#N)C2)C1 1308073518 RFJXKEHISJTUOH-FQEVSTJZSA-N 405.499 1.354 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1nc(C(F)(F)F)cs1 1312597580 UKPHGTQCAHUZOK-ZETCQYMHSA-N 414.369 1.623 30 10 HDEE C#CCC1(NC(=O)NCc2c(I)cnn2C)CCOCC1 1313194171 CLUSIGLIZKYFMA-UHFFFAOYSA-N 402.236 1.396 30 10 HDEE CO[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1315214808 MQYTULBJWGTTSD-KSSFIOAISA-N 412.494 1.988 30 10 HDEE COCc1nocc1Cn1c(CCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1315876183 ZAPDIVYUUDHCFT-SFHVURJKSA-N 408.462 1.975 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1Cc1nncn1C 1316281123 GHKXVLUXCQKLHM-HOCLYGCPSA-N 400.487 1.309 30 10 HDEE C#CCC1(C(=O)N(C)C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCOCC1 1336462226 WBXAETYTIPJZKI-RMMWZPCPSA-N 400.519 1.679 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(SC)CCOCC1)[C@H]1CCS(=O)(=O)C1 1358961600 BTIMOENHVKTIFZ-INIZCTEOSA-N 424.592 1.694 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1C[C@]1(O)CCO[C@H]1C 1358995089 FBHAIIUFNCSQQM-FDDCHVKYSA-N 408.502 1.880 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCCCC2 1359002268 TYNRTFZRSGTLDN-OAQYLSRUSA-N 413.526 1.756 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(NC(=O)C2CC2)CC1 1359054134 KQJDZNKQWMDSOC-UHFFFAOYSA-N 413.551 1.540 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1359226753 LXSKEFHISZCGAS-GOSISDBHSA-N 403.527 1.823 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1Cc1cnnn1C 1359278476 WHJRXDBZLJDOIM-UHFFFAOYSA-N 410.482 1.405 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(F)(F)F)CC1 1359300825 KQQVSKBSDOZFEM-CQSZACIVSA-N 416.448 1.159 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1359303493 QHRBWILNNATLSW-NRFANRHFSA-N 412.469 1.816 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](COc2ccccc2)C1 1359333322 UMIGVBIEYYGTTK-GOSISDBHSA-N 420.535 1.726 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1359340885 DJTRUOQZZFGOFB-AWEZNQCLSA-N 408.553 1.668 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@H](C)CS(C)(=O)=O 1359341931 LABVPGHSENEYLF-CABCVRRESA-N 402.586 1.961 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)Nc3nc4n(c3C#N)CCS4)CC2=O)cc1 1360154515 ATUDPHMQCKUQGH-LBPRGKRZSA-N 410.459 1.810 30 10 HDEE COc1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1S(=O)(=O)NC(C)C 1439728002 RSENQRJOVVQOAU-UHFFFAOYSA-N 422.503 1.860 30 10 HDEE CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)Cc1ccc(C#N)cc1 1443154766 DMOAZEPLLZHSBQ-KRWDZBQOSA-N 419.478 1.990 30 10 HDEE C=CC[C@@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1460509297 AUGPEIJAOVBQGR-QGZVFWFLSA-N 407.536 1.222 30 10 HDEE C#CCCCS(=O)(=O)NC[C@H](CO)Cc1ccc(OC)c(Br)c1 1463717665 HAFSMVWVHSCUQB-CQSZACIVSA-N 404.326 1.942 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC(CC)(CC)c2ccccc2)CC1 1469095698 WIYUKWSAIVKIOT-UHFFFAOYSA-N 406.552 1.539 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@H](Cn4ccnn4)C3)CC2=O)cc1Cl 1470304190 SKKHBADOUYPCSL-GOEBONIOSA-N 414.853 1.084 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)n1 1470481338 KVVGPXRTGQLIOW-WMZOPIPTSA-N 400.483 1.328 30 10 HDEE C[S@@](=O)C1(C(=O)NCC2(C#N)CCOCC2)CCN(C(=O)OC(C)(C)C)CC1 1472338532 DEFSMYAUVHOPRG-MUUNZHRXSA-N 413.540 1.571 30 10 HDEE Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)cc(C)c1C#N 1472529139 NNTHLFLXRAFAFL-UHFFFAOYSA-N 401.488 1.718 30 10 HDEE CN(CCCOc1cccc(S(C)(=O)=O)c1)C[C@H](O)CC1(C#N)CCOCC1 1473130963 KOKKVBIAOGAKOB-QGZVFWFLSA-N 410.536 1.862 30 10 HDEE C#C[C@H](C)NS(=O)(=O)c1cc(C)c(I)c(C(=O)OC)c1 1475257591 JYUPAVRPXMOOGX-VIFPVBQESA-N 407.229 1.686 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C1CCN(C)CC1 1477540786 UWPVTRCMAXQGLN-INIZCTEOSA-N 406.552 1.737 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@H](n3cncn3)C(F)(F)F)C2)nc1 1479113584 YAKRZJNPLLLYFI-KBPBESRZSA-N 408.388 1.934 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncccc2C#N)CC1 1503372231 RZWDSTMTIJNCOK-UHFFFAOYSA-N 416.489 1.627 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCN2CCCS2(=O)=O)C1 1505101604 CNTSXSUWHDLWOT-QGZVFWFLSA-N 416.507 1.077 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCOC3)n2CCCNC(=O)C2CCC2)C1 1505315468 QWSNLWFUVCGZFY-JXFKEZNVSA-N 404.490 1.920 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCNC(=O)[C@H]1CC 1507576138 KSKWUBGSGWXXDQ-QGZVFWFLSA-N 415.519 1.477 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1507750701 CAAJEWSLGHEMOX-UONOGXRCSA-N 400.595 1.488 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507954101 KTLNUGREVUSNHT-MRXNPFEDSA-N 416.526 1.066 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCN(CCOC)[C@H](CC)C1 1508090518 OIOJUFKCPOZWNL-GOSISDBHSA-N 404.559 1.785 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1C(C)(C)C 1508099161 VIRYIMHFKGNXOI-UHFFFAOYSA-N 411.510 1.235 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCS(=O)(=O)CC2)cn1 1515777746 GINJGPIODPCCCZ-UHFFFAOYSA-N 411.491 1.316 30 10 HDEE C=CCCn1cc(C(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)nn1 1524975537 KOKMEOZFZVIBIL-MRXNPFEDSA-N 404.492 1.692 30 10 HDEE Cn1cc(I)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)n1 1534509022 ADVJKXHCZLWACE-NSHDSACASA-N 423.214 1.585 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@@H]1CCC[C@@H](C#N)C1 1535478746 HMATWVLQSBKOLY-HUUCEWRRSA-N 408.476 1.955 30 10 HDEE COCCOc1cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc2ccccc12 1537006383 TTYYONQPHDXNMT-VBKZILBWSA-N 415.471 1.270 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](CC)OC)[C@H]1CCS(=O)(=O)C1 1539221178 NYFLEVDDAGXHLS-BBWFWOEESA-N 410.540 1.571 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(OC)CCOC1 1539288291 CKWGFEALEZFUHR-JOCHJYFZSA-N 405.458 1.607 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCCS1(=O)=O 1539340062 CQQSGMPBLQUQAH-INIZCTEOSA-N 409.556 1.623 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539641451 MRFWSTDCXLXLAJ-VUHPKUFZSA-N 403.527 1.758 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21)C1CC1 1540094480 GUPYAYJIJWPQAJ-CABCVRRESA-N 419.555 1.817 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCC[C@H](C(N)=O)C1 1540867429 WDEBKTHTISXTGV-INIZCTEOSA-N 419.489 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC(OCCOC)CC1 1540868111 SCISNCKQOAVOMU-UHFFFAOYSA-N 400.483 1.274 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCOC2)n1CC[C@H](C(F)F)N1CCOCC1 1541804629 ZHNAHMYQWIPZQQ-BZUAXINKSA-N 412.485 1.876 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1555636381 JLBXRAUCMANXNN-APWZRJJASA-N 422.505 1.309 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCCN2CCOCC2)CCO1 1555995880 VANJADFNSYOQCH-IBGZPJMESA-N 411.510 1.105 30 10 HDEE COc1cc(CNC(=O)c2cnnn2C2CN(C(=O)OC(C)(C)C)C2)ccc1C#N 1556505028 TTYLSDLIPOQDLE-UHFFFAOYSA-N 412.450 1.880 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)C1(C#N)CCSCC1 1557064552 APKBIRQQVYBIMG-UHFFFAOYSA-N 412.493 1.368 30 10 HDEE C#CCC1(O)CCN(C(=O)CCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 1558103769 TXMMAVZWLVSXQN-MRXNPFEDSA-N 407.511 1.269 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)c1cccc(CNc2ncccc2C#N)c1 1558457914 ZSRKZEIPXGTNEE-UHFFFAOYSA-N 401.492 1.623 30 10 HDEE C=CCc1cc(CNCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc(OC)c1O 1560273608 XCXWWBLXDBBGSE-UHFFFAOYSA-N 409.486 1.991 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)NCc3cnc(Br)cn3)C2)nc1 1565175741 RRJUOWIYOGGBRR-ZDUSSCGKSA-N 403.240 1.869 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC[C@@H]1C1CC1 1565630127 SHVWQXBETHBZGM-SYWZAZHRSA-N 418.494 1.807 30 10 HDEE COc1cc(C#N)ccc1C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1566495094 XGDLIIIGZLRLFZ-OALUTQOASA-N 404.470 1.896 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Oc2ccc(Br)c(Cl)c2)C1=O 1583630228 NCJQSOLJLIPYQH-UHFFFAOYSA-N 401.600 1.985 30 10 HDEE C#CCC1(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CCOCC1 1584613413 RESIMZTUOHKCIK-UHFFFAOYSA-N 406.504 1.782 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CSc2ccc(C)cc2)n1CCNS(C)(=O)=O 1587677406 GQNBPHHNASODJT-OAHLLOKOSA-N 407.565 1.886 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1587808559 UCEZLAGYIOYJLG-LPHOPBHVSA-N 410.540 1.431 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2Cc2c(CC)nn(C)c2CC)CC1 1588811243 DFAAEMATAGHMEI-QGZVFWFLSA-N 411.554 1.444 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCOCC1 1589494895 OQQSFNKMHAWATF-XHSDSOJGSA-N 413.544 1.096 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CC1(O)CCS(=O)(=O)CC1 1589668853 DYBIHCPLHJKEGS-UHFFFAOYSA-N 419.551 1.606 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@@H]1C 1593884088 BJWJIPFJDQKZKT-QWHCGFSZSA-N 421.976 1.305 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN2CCCO)CC1 1594229378 MBWSGMVSWZZVDQ-ROUUACIJSA-N 402.543 1.478 30 10 HDEE C=CCCOCCn1c(Cc2cccnc2)nnc1N1CCC2(CC1)CNC(=O)C2 1594819288 ASGRCNFPKMZYCD-UHFFFAOYSA-N 410.522 1.963 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2ccccc2F)C1 1595550845 ITXCLTZKYUBUDA-YJBOKZPZSA-N 415.469 1.801 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@H](C(=O)NC)C1 1595905437 KKZHWVLEMQMCRJ-ULQDDVLXSA-N 423.583 1.884 30 10 HDEE Cn1cnc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1596635102 UMBMZEZHPMSZDX-UHFFFAOYSA-N 401.492 1.051 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)CC1 1597812793 JNAIQOWTSXNQBU-QGZVFWFLSA-N 423.560 1.876 30 10 HDEE CC(C)CSc1ccc(S(=O)(=O)NCC(=O)N(C)CC#N)cc1[N+](=O)[O-] 1598388484 VQOJMIWGKKYQRQ-UHFFFAOYSA-N 400.482 1.603 30 10 HDEE O=C1CN(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)CCN1 1598483719 OUSHQHROTZEMEX-OCAPTIKFSA-N 409.277 1.048 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1611307685 FNJOXFPDVCKMIW-OAGGEKHMSA-N 417.539 1.378 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)c1 1612247924 FSCVYPOATBGJRF-SFHVURJKSA-N 410.478 1.421 30 10 HDEE Cc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCC[C@@H]1NC(=O)NC1=O 1612267281 TXINBONNLKTTEW-YWZLYKJASA-N 411.441 1.684 30 10 HDEE CCC[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](C#N)C1)OC 1614410653 ADOQWGCREBBSNA-HUUCEWRRSA-N 418.523 1.813 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CC(=O)N(C2CC2)[C@H]1c1cccc(OC)c1)C(=O)OC 1617949844 JOCMZSOCPQRZDA-BJLQDIEVSA-N 416.474 1.608 30 10 HDEE CO[C@@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1619504553 VCXVPPFXNGTALU-AMGRQBIBSA-N 400.483 1.372 30 10 HDEE COC(=O)C1CC2(C1)CN(CCC(=O)N(C)CCC#N)C[C@@H]2C(=O)OC(C)(C)C 1620571734 DTMIMZOXOONLAS-ZGOJQLDESA-N 407.511 1.591 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)C1 1620573226 FEEIGQUSXHWUGY-GOSISDBHSA-N 403.548 1.823 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N(CCN1CCOCC1)[C@H]1CCSC1 1622335967 BICXDTDDTCFEIF-INIZCTEOSA-N 411.549 1.395 30 10 HDEE COC(=O)CCCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1623954299 AHKSSEKOILYIHI-INIZCTEOSA-N 400.435 1.613 30 10 HDEE C#CCN(C(=O)c1c(Br)nc2n1CCCC2)[C@H]1CCS(=O)(=O)C1 1626435014 RBLRWDDVMIFCPM-NSHDSACASA-N 400.298 1.244 30 10 HDEE C=CC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1626436986 BGBKZDDFNSTPHR-KGLIPLIRSA-N 402.538 1.341 30 10 HDEE Cc1ccc(C(=O)N(C)[C@H]2CCN3CCO[C@H]2C3)cc1B1OC(C)(C)C(C)(C)O1 1628293354 XPXXLFKBITZUPS-OALUTQOASA-N 400.328 1.839 30 10 HDEE C[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1ccc(C(F)(F)F)nc1Cl 1628552784 ZNXQKMRJAFKOAF-ZETCQYMHSA-N 401.732 1.765 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1 1628682363 JZNQRLNXNRMZIA-LSDHHAIUSA-N 413.906 1.970 30 10 HDEE C=CCN(C(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)[C@@H]1CCS(=O)(=O)C1 1630847429 YVACPPSRFZBVHQ-LLVKDONJSA-N 406.291 1.320 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@@H](O)[C@](O)(c3ccccc3)C(F)(F)F)CC2)nc1 1630895452 CYATUBROBJNJPN-IEBWSBKVSA-N 420.391 1.413 30 10 HDEE Cn1[nH]c([C@@H]2CCCN2C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)nc1=N 1633669093 CDGDAUOOVGKDPY-KBPBESRZSA-N 405.503 1.868 30 10 HDEE O=C1C=COC2(CCN(C(=O)N[C@H]3CCN(C(=O)COc4ccccc4)C3)CC2)C1 1634687356 FXSITCHIIMJEFW-KRWDZBQOSA-N 413.474 1.714 30 10 HDEE COC(=O)c1ncoc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1636557481 FFESCGAALTYCMM-LLVKDONJSA-N 402.794 1.656 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2ccccc2OC)s1 1637131102 CPVZLNXXVODICT-HNNXBMFYSA-N 410.517 1.613 30 10 HDEE C#CCN1CCC(NC(=O)c2cn(C3CCN(C(=O)OC(C)(C)C)CC3)nn2)CC1 1638678131 ASMXRPDDIUYTDK-UHFFFAOYSA-N 416.526 1.678 30 10 HDEE C#CC[C@H](NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1642414987 IZYOROWJYMMEAU-CABCVRRESA-N 419.482 1.535 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H](NS(C)(=O)=O)C1 1642581787 MRBUUOKWOQYYOQ-STQMWFEESA-N 409.936 1.563 30 10 HDEE C#CCOCCC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1644239501 ATSOMNPBGWBPTO-OAGGEKHMSA-N 407.467 1.067 30 10 HDEE COCCn1cc(CNC(=O)c2ccc(C#Cc3ccccc3)cc2)c(O)nc1=O 1644313847 XPIBAIAGHMTCMI-UHFFFAOYSA-N 403.438 1.925 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](C)c2nnc3c(=O)[nH]ccn23)CCCN1C(=O)OC(C)(C)C 1644705923 DXKKZTFYVYXAPP-RNODOKPDSA-N 416.482 1.941 30 10 HDEE N#Cc1cn(CCC(=O)NCc2cc(Br)ccc2Cl)c(=O)nc1O 1645574932 FCRHKPRWGXTAJX-UHFFFAOYSA-N 411.643 1.943 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)CC1 1650951402 CBARZYIMZZSLLH-QPGLYAHGSA-N 409.486 1.167 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC(=O)CC[C@H]3C)nnc12 1651247639 KPRLELJYEVRMEO-CYBMUJFWSA-N 411.487 1.902 30 10 HDEE COC(=O)c1ccc(N[C@@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)c(C#N)n1 1651492454 JYMBOLQNDXMTLN-GFCCVEGCSA-N 415.450 1.372 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H](Cc2nn[nH]n2)C1 1651874926 SWRZJKUTSYXZLA-GJZGRUSLSA-N 405.503 1.958 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCn1c(-c2cccc([N+](=O)[O-])c2)noc1=O 1651939992 ZTZORMIFFSUIRQ-UHFFFAOYSA-N 404.338 1.711 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nnn(C)c2C1)C1CCN(C(=O)OC(C)(C)C)CC1 1651973253 IDWSJGOGCLPFHF-OAHLLOKOSA-N 401.511 1.781 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@@]1(F)CN(C(=O)OC(C)(C)C)CC12COC2)C(=O)OC 1652016936 GWILKXYXCXRPOC-VLIAUNLRSA-N 414.474 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc([C@@H]3CCCN(C[C@H](O)CC#N)C3)[nH]n2)CC1 1654312976 ADORZIBDIDJXCA-IAGOWNOFSA-N 418.542 1.921 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cn1ccnc1)C(=O)OC 1654509132 BFOOVJMTVQRKHD-OLZOCXBDSA-N 400.863 1.577 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)N1CCCO[C@H](CNC(=O)OC(C)(C)C)C1 1655570148 HIBOIYGPVPIKDI-HUUCEWRRSA-N 404.533 1.328 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(C(F)(F)F)nc2Cl)c(=O)n1CCO 1656828729 WSOQPEXODDSWGR-UHFFFAOYSA-N 416.743 1.133 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1Br)C1CCOCC1 1663234808 LUKHRDVGTUPMNB-CQSZACIVSA-N 416.293 1.942 30 10 HDEE CO[C@@H](Cc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1666613106 DZDIWQDKVKNDKV-IBGZPJMESA-N 400.504 1.663 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1c(C)nn2cc(Br)cnc12)C1CCOCC1 1670502836 YIVAHPDDRCDRRD-CYBMUJFWSA-N 413.297 1.507 30 10 HDEE Cn1cc(C(F)F)c(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1680778993 PUYWWPODMALOTO-HNNXBMFYSA-N 402.405 1.830 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)NCC2(C#N)CC2)C1 1681908729 XQOVADMQTARXMB-CYBMUJFWSA-N 400.501 1.014 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O)C1CCOCC1 1682893072 JFPHLYRTFNBDDI-ZIAGYGMSSA-N 407.268 1.435 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 1684082750 HFUOJAAZSQYAPO-OALUTQOASA-N 419.570 1.421 30 10 HDEE O=C(NCC#CCO)N1CCC(Oc2ccccc2I)CC1 1684765280 MENYCSMGYASEGG-UHFFFAOYSA-N 414.243 1.840 30 10 HDEE CSc1ccc(CNC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)cc1C#N 1685267070 QANMNUNAKSSFJA-UHFFFAOYSA-N 411.553 1.350 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1c(CC)nn(C)c1OC 1689824089 HUSRDCPFAZNDTG-AWEZNQCLSA-N 422.493 1.736 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CC2([S@@](C)=O)CC2)CC1 1690119688 OFUADOFAXZFQDZ-MUUNZHRXSA-N 401.511 1.751 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1690299609 YZTJEWXPWJMGNK-ROUUACIJSA-N 403.527 1.970 30 10 HDEE C=CCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1690496440 QMLDKOBNLBJGED-UHFFFAOYSA-N 402.543 1.813 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O)C1CC1 1690538364 GXXNOMSHTBAVEG-NHCUHLMSSA-N 403.527 1.952 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@@H]1C)C1CC1 1690545533 TXRILPSZVUMCGO-HOTGVXAUSA-N 409.556 1.056 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1705505331 JGXUSQIDHNAJEK-BRWVUGGUSA-N 417.554 1.937 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1705508197 KOOSVFOSWJMIPY-KRWDZBQOSA-N 416.526 1.047 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N(CC)CC)CC1 1705508760 UFWROAPBOWBNTK-UHFFFAOYSA-N 417.558 1.804 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1705566095 XQXGCNGCXFSLNW-KRWDZBQOSA-N 403.508 1.393 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1705571264 XYRFFZCMXSHPCQ-WBVHZDCISA-N 419.576 1.642 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@H]1CCO[C@H](C)C1 1705573371 FOAMPWFOZVLWFC-IKGGRYGDSA-N 407.540 1.166 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CC(=O)N(CCOC)C1 1705578651 AUSDFMDIHJJTCM-GOSISDBHSA-N 421.501 1.521 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC(=O)NCc1ccco1 1705599774 XWTKXIGNAPNIMF-UHFFFAOYSA-N 402.458 1.636 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc2c(c1)C(=O)NCC2 1705603310 NAFFACOJQDVMGS-UHFFFAOYSA-N 406.490 1.308 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1Cc1ncn(C)n1 1705625078 VYIAGKRLBHWRTN-UHFFFAOYSA-N 402.462 1.756 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2ccccn2)CC1 1705658187 HNUPXMJXXWDMLN-UHFFFAOYSA-N 408.535 1.767 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC(OCC(N)=O)CC1 1705786949 BPYPDXDRAMKYJN-UHFFFAOYSA-N 406.531 1.489 30 10 HDEE CC[C@H](C)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CCN/C(O)=C1/N=CC=CC1=O 1708382514 PLHNGKDSIUHCFA-VHLXVWNNSA-N 403.487 1.018 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCOC(F)F 1711234402 GDIQAAHRQJCFGO-UHFFFAOYSA-N 413.450 1.927 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCc1nccnc1C 1712530669 LSYIIXOVCJBCLF-BEFAXECRSA-N 403.462 1.785 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1Cc2ccccc2O1 1722401179 OHYKWJFSRQHLBP-IBGZPJMESA-N 403.486 1.867 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(C(=O)NCC)cc2)CC1 1722445193 UBESUZDEKDKUIF-UHFFFAOYSA-N 408.506 1.350 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCc1n[nH]c(C)n1 1722469148 VDXMUCCBYLCIEN-RTWAWAEBSA-N 413.526 1.980 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N(C)CCS(C)(=O)=O 1722509533 XRKUJRYFLZDRBK-IRXDYDNUSA-N 405.524 1.802 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@]2(CCOC2)C1 1722604061 SZSXSTGPSFRKAM-APWZRJJASA-N 410.540 1.532 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722702128 DVQKAIWCSBXVRK-UONOGXRCSA-N 417.432 1.980 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1722744622 UBLXCMAHPPNRSZ-MRXNPFEDSA-N 408.572 1.259 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1724040038 KTTBRPYSRZUPIO-LEWJYISDSA-N 410.478 1.324 30 10 HDEE C[C@H]1CN(c2nnc(CC3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1726713753 DCOATVWARDHOBE-CVTQAYBASA-N 414.510 1.762 30 10 HDEE COCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1730927918 TYVGNRWWNUNGRD-SJLPKXTDSA-N 404.515 1.012 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740590987 KYSOSDPXQWPBLL-MRXNPFEDSA-N 412.494 1.891 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ncccc2C#N)CC1 1740594520 PBRRYPQITVNUCY-UHFFFAOYSA-N 418.505 1.407 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1740600641 PYPVWAXWQNVYDT-SIKLNZKXSA-N 419.570 1.745 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2[C@H]2C[C@@H]2C)CC1 1740701134 VUZWJADPUPYVOL-HOCLYGCPSA-N 407.478 1.472 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)S[C@H](C)C1 1740708869 DIFPNVIXNRAJJL-MJBXVCDLSA-N 417.626 1.585 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1740862042 IKIZTLSKMKYESW-MRXNPFEDSA-N 424.571 1.351 30 10 HDEE C=CCCOCCn1c(C2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1740885787 OAHHSFIADCRGTQ-MRXNPFEDSA-N 402.499 1.515 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC(CC#N)CC1 1740993085 SNWPZZQXVBIFJE-UHFFFAOYSA-N 414.535 1.995 30 10 HDEE Cc1cccc(-c2nnc(N(C)[C@H](C)CC#N)n2CCN2CCCS2(=O)=O)n1 1742308582 BYJFOZMCDRXMIG-OAHLLOKOSA-N 403.512 1.422 30 10 HDEE CC[C@H](C)N(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1743857838 FCFPNGYUCQWXQY-LPHOPBHVSA-N 422.537 1.761 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cn(C)nc1-c1ccccc1 1747219428 HIPXFUYFGWGIEV-SFHVURJKSA-N 407.478 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(O)CCSC1 1748655946 IWEBSEGUSYCHNN-KUHUBIRLSA-N 410.507 1.247 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@]1(O)CCSC1 1748665198 OQPQVSVAQAJMMA-SZNDQCEHSA-N 424.530 1.518 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCCN1C[C@H](C)O[C@H](C)C1 1748825047 OACVHOVCDJMQCT-KDURUIRLSA-N 412.538 1.086 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C#N)o2)CC1 1749000888 CUBFVNITEBEYHC-LPHOPBHVSA-N 410.478 1.270 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CCN(C(C)C)C(C)C 1750154451 OAAOOSIHXCHSJG-OTWHNJEPSA-N 420.558 1.850 30 10 HDEE CSCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1750330852 KTZPDYXRTWIDHI-KBPBESRZSA-N 416.573 1.102 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCO[C@H]1CCOC1 1760099250 DKULVQNVTUWTEI-BBTUJRGHSA-N 406.527 1.972 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1coc(-c2ccccc2)n1 1760173621 AFLXMXFZXHDLDZ-INIZCTEOSA-N 411.487 1.953 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccncc2)n1Cc1nncn1-c1ccccc1 1760204575 VOCINIDNOYXHEO-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@]2(C)COCCO2)CC1 1760271755 KKXGJBOZXFPAOZ-OAQYLSRUSA-N 401.511 1.002 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1760285782 QWWMHGSSAOLKFQ-HDICACEKSA-N 411.487 1.657 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760357004 BMBQCOVTDNMKNV-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2nc([C@@H](C)OCC)no2)nnc1C(C)(C)C 1760528133 STEOMAZXCPZKSP-CYBMUJFWSA-N 405.503 1.995 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](CC)C1 1760560291 RLMLYUTXNCTTGF-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)CC)C1 1760565189 QDXAMTPCSOSXTM-LSDHHAIUSA-N 406.556 1.643 30 10 HDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC(C#N)CC2)CCC1 1761570362 KWDAKJZTWUIOKV-MRXNPFEDSA-N 422.555 1.541 30 10 HDEE CCOCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1766525207 KZKWNNRLOGUCIG-UHFFFAOYSA-N 412.494 1.872 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCNC(C)=O)C1 1770109662 FOUJAYXHUKIVFC-IBGZPJMESA-N 412.494 1.585 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CC(=O)CN2C(=O)c2ccc(F)cc2)CC1 1851671673 WBNGKARVPSAYLY-LJQANCHMSA-N 421.432 1.225 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2=O)CC1=O 1854126710 NVNXTRVAXIMKPZ-HNNXBMFYSA-N 409.408 1.911 30 10 HDEE Cc1cnc(CCC(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)o1 1854250426 BVZVGNLOPQXSGZ-QGZVFWFLSA-N 409.446 1.463 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@H](c3ccccc3)S(=O)(=O)CC2)CCC1=O 1854357627 RPSAIMJWFWDWQE-SJLPKXTDSA-N 403.504 1.527 30 10 HDEE CCOc1ccccc1C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854400632 AMAJEYAUCNIXKN-UHFFFAOYSA-N 405.476 1.536 30 10 HDEE CC1(C)C(=O)N(C(=O)c2cncc(F)c2)CCN1S(=O)(=O)c1ccccc1C#N 1854459860 NIPMDJAGMBEVTC-UHFFFAOYSA-N 416.434 1.544 30 10 HDEE N#Cc1ccc(CCC(=O)N2CCC[C@H](N3CCC(n4nccn4)CC3)C2=O)cc1 1855000268 DILDKFFBRXQQOG-FQEVSTJZSA-N 406.490 1.937 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cc(C)n(C)n1 1856090637 OTGAUFCZCPTOLL-UHFFFAOYSA-N 402.476 1.655 30 10 HDEE COc1ccc(OCC(=O)N2C[C@@H](C3CCN(CCC#N)CC3)CC2=O)c(OC)n1 1856146693 TZWXFJZAIZMZJJ-INIZCTEOSA-N 416.478 1.478 30 10 HDEE C=CCN1c2ccccc2N(C(=O)CN(CCOC)S(C)(=O)=O)C(=O)C[C@H]1C 1856324173 GRXLUYDDHJFMBA-OAHLLOKOSA-N 409.508 1.239 30 10 HDEE Cn1c(=O)c2ccc(C(=O)N3CC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)cc2n1C 1856531782 LGDAFHYNBBNIJM-RDJZCZTQSA-N 407.474 1.244 30 10 HDEE Cc1cc(C(=O)N2CC(C(=O)N3CCN([C@H](C)CCC#N)C(C)(C)C3=O)C2)no1 1856746845 SWAALQMCIGOVSZ-CYBMUJFWSA-N 401.467 1.197 30 10 HDEE N#CC1(c2ccccc2)CCN([C@@H]2CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2=O)CC1 1857295683 UIIJFDNSHUDDRR-FUHWJXTLSA-N 415.515 1.106 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN3CCc4nc(C)sc4C3)CC2=O)CC1=O 1857305302 FAVUAMRTEBDOPV-HUUCEWRRSA-N 402.520 1.219 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN(C[C@@H]2CC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1857362611 YESUEOXEXWNQAC-PGRDOPGGSA-N 414.481 1.368 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@H](N3CCC[C@H](Oc4ncc(F)cn4)C3)C2=O)ccn1 1857439149 GIMJOFHGCORRPG-IRXDYDNUSA-N 410.409 1.167 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N(CCOC)CCOC)nn1C 1870076362 XQIZQJSNZKRPRT-UHFFFAOYSA-N 419.482 1.497 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)c3cnn4cccnc34)CC2)CC1 1889421205 AQPLVTHWUWHXJI-UHFFFAOYSA-N 424.549 1.380 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2)CC1 1889577556 BBEOREUBYOYQCL-UHFFFAOYSA-N 423.554 1.387 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CC[C@H](Oc4cc(C#N)ccn4)C3)nn2)cc1 1889934081 OYLXSAYRTDDOAC-SFHVURJKSA-N 404.430 1.895 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cc1F 2010397603 LUGSYGKSTVIBIP-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE Cn1cc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 2074370673 JJEITERUTJSCMR-DGCLKSJQSA-N 413.320 1.627 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCONC(=O)OC(C)(C)C 2247929464 NCCLMQRZPJZERP-UHFFFAOYSA-N 423.319 1.993 30 10 HDEE CN(c1cccc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)C1CC2(C1)OCCO2 2277892733 AGTLEQZXVNJEQT-UHFFFAOYSA-N 409.313 1.657 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)N2CCC(C#N)CC2)C(F)(F)C1 2279126156 FPUFBSKLCJLWRQ-CYBMUJFWSA-N 408.471 1.701 30 10 HDEE CCS(=O)(=O)NCCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1C 2281937618 BUOOILQNCPDUEQ-UHFFFAOYSA-N 402.347 1.025 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H](C)CC2(C)OCCO2)n1 2282003390 BDYLAIQKUNKNKB-CQSZACIVSA-N 407.320 1.721 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282496398 ACGIBMMXXNUTGH-OLZOCXBDSA-N 401.359 1.571 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@H]2CCOC2)OC1(C)C 2282502682 OMYRKOVZCYRXCQ-ZDUSSCGKSA-N 401.359 1.893 30 10 HDEE CS[C@@H](CO)[C@@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282602954 ZOUWPBGSCCFCIJ-MFKMUULPSA-N 400.737 1.876 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CN(C)C[C@H]1C 2282837353 UFMBAMBGZXFOIM-YPMHNXCESA-N 400.375 1.584 30 10 HDEE Cc1cc(S(=O)(=O)N2CCNCC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282841376 NUIDOBQNUPADQB-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CNC[C@@H]1CCCCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882460 LZZQXUXHLIASOI-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@@H](ONS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411969 QOXVXPOYTPEETH-SECBINFHSA-N 405.665 1.322 30 10 HDEE CCn1nnc(Br)c1CNC(=O)C#C[C@@H](C)NC(=O)OC(C)(C)C 2302421325 REVNRXNCSQHJOS-SNVBAGLBSA-N 400.277 1.593 30 10 HDEE O=c1c(Cl)c(NN=Cc2cccc([N+](=O)[O-])c2)cnn1[C@H]1CCS(=O)(=O)C1 2322614471 ICVYTLFZWFNJPS-LBPRGKRZSA-N 411.827 1.611 30 10 HDEE COc1cc(C=NNS(=O)(=O)c2ccc3nc(O)oc3c2)cc([N+](=O)[O-])c1OC 2323437123 IDOVGJMNDXQFSK-UHFFFAOYSA-N 422.375 1.771 30 10 HDEE CCOc1cc(C=CC(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1OC 2325631615 LHICVFKAUFSEKC-UHFFFAOYSA-N 404.444 1.962 30 10 HDEE CCOc1ccc(C=CC(=O)N[C@@H]2CCN[C@@H](C(=O)C=CC(=O)O)C2)cc1OC 2328179417 DFBDRNBANRVHHT-HZPDHXFCSA-N 402.447 1.554 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2C[C@@H]3CC[C@H]2O3)OC1(C)C 2359276400 OZBUFXMJMXKUGP-GMXVVIOVSA-N 400.331 1.182 30 10 HDEE COC1(C#C[C@@H](O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCCC1 2363515293 YMLHSMZQUKUONP-HZPDHXFCSA-N 401.525 1.734 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2363811007 GLLUIGUTWLQMFM-NFBKMPQASA-N 416.518 1.937 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)[C@H](O)C#Cc1ccc(C(F)F)nc1 2365761205 ZITQAGYFOACOPA-ZIAGYGMSSA-N 404.435 1.670 30 10 HDEE CC(C)(C)OC(=O)NCC[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367795523 FGILEJQACMTPJR-QGZVFWFLSA-N 403.497 1.732 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O 2367798454 QTGMZWRZMCDNKF-SUMWQHHRSA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367800500 KCYWQUDJSNRFOH-HUUCEWRRSA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C 2367817403 SJGJMQACBBFDGG-QKPAOTATSA-N 400.541 1.209 30 10 HDEE C=C(CS(=O)(=O)N1CC[C@@H](S(=O)(=O)C(F)F)C1)B1OC(C)(C)C(C)(C)O1 2368590490 HNRPJIPRRULPKS-LLVKDONJSA-N 415.289 1.216 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)C1(C(=O)O)CC(C)(NC(=O)OC(C)(C)C)C1 2372948922 RLJQQJNWLGKYNZ-TZYSRNFLSA-N 402.513 1.562 30 10 HDEE C#CCN(Cc1nnc(C(=O)NCc2ccc(F)cc2)s1)[C@H]1CCS(=O)(=O)C1 111047322 YUZFBSKTXPHWNZ-HNNXBMFYSA-N 422.507 1.230 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(c2cccc(Br)c2)C1=O)n1cnc(C#N)n1 409990887 GNIWDXXSSCVAQH-MFKMUULPSA-N 403.240 1.395 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)CC1 428061385 VVYYUJCSAUKUCC-UHFFFAOYSA-N 412.494 1.246 30 10 HDEE C[C@H]1CCc2nc(NC(=O)C(=O)N(CCC#N)CCN3CCOCC3)sc2C1 435000724 SYJGAHPRHXRGON-AWEZNQCLSA-N 405.524 1.281 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCOc1ccc(C#N)cc1 440241035 RWGSWVFQXGAHSV-NCOADZHNSA-N 401.419 1.072 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)Cc2ccccc2C(F)(F)F)c1=O 443456862 REVIUVBVEFBYDQ-CQSZACIVSA-N 411.380 1.166 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CCC#N)CC1CC1 460392700 ZGTHOLQOXVJVDJ-INIZCTEOSA-N 408.528 1.317 30 10 HDEE CCc1nc(C2CCN(C(=O)[C@H](C)NS(=O)(=O)c3ccc(C#N)cc3)CC2)n[nH]1 482006680 INARYKZROLHNDB-ZDUSSCGKSA-N 416.507 1.312 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)CC1 503627684 NMXSWSYDPARMTA-UHFFFAOYSA-N 404.492 1.106 30 10 HDEE COC(=O)CN(Cc1ccc(F)c(F)c1)C(=O)CNC(=O)c1ccc(C#N)cc1 507346421 MDKXQPUEWVABJH-UHFFFAOYSA-N 401.369 1.768 30 10 HDEE CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)ccc1C 508950912 PEDIVOCWHIEEMU-UHFFFAOYSA-N 414.487 1.949 30 10 HDEE CCOC(=O)Cc1cccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 509942230 GYUAIJAWEGHTJI-UHFFFAOYSA-N 414.487 1.570 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 549346948 BTDRQMONXSGACT-OAHLLOKOSA-N 410.405 1.432 30 10 HDEE COc1ccc([C@@H](C)NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)cc1F 550123975 JCSLBUZMFMDGOS-CQSZACIVSA-N 411.437 1.627 30 10 HDEE C=CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccncc2)c1=O 654765621 UDXYLYTUKMJTEX-UHFFFAOYSA-N 403.463 1.885 30 10 HDEE C#CCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)[C@@H]1CCS(=O)(=O)C1 729332474 OUDYBUIPHULJMQ-DOMZBBRYSA-N 412.920 1.792 30 10 HDEE CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 732464897 BVRZQHVASIOCPJ-RJCBAWPRSA-N 419.526 1.631 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)C2C[C@H]3COC[C@@H](C2)C3=O)cc1 739523577 ZMWSGQZDKRHJAD-WPSGBVQYSA-N 419.503 1.680 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(Cl)ccc2[N+](=O)[O-])c(=O)n1C[C@@H]1CCCO1 739829248 DYXDSKDHFVXSKZ-AWEZNQCLSA-N 416.846 1.677 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)cc1 740732925 ZSBCDFZFRMXAJN-QGZVFWFLSA-N 400.504 1.663 30 10 HDEE Cn1cc(C[C@H]2CC(=O)N(CN3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)cn1 746378767 VOYDECLHLYPXDI-SFHVURJKSA-N 407.474 1.710 30 10 HDEE N#C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCC3)ccc2Cl)CCN1C1CC1 748710293 BEOVZJIHAKDONR-CQSZACIVSA-N 408.911 1.547 30 10 HDEE C#CCN(CC#C)CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 752076488 DEBTUMZAWZKORO-UHFFFAOYSA-N 400.504 1.444 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1 753742756 ILEJGBAJGOQUDE-VOTSOKGWSA-N 407.492 1.409 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 758263225 HOOGRTMFOMZCOD-KRWDZBQOSA-N 413.544 1.661 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCCN/C(O)=C1\N=CC=CC1=O 759063423 FWQWWILHWPSRKB-YWMAMYRUSA-N 406.483 1.809 30 10 HDEE CC(=O)[C@H]1CC(C(=O)N2CCN(c3cccc(C#N)n3)CC2)=NN1c1ccccc1 760793699 OYIQKSPWZICCCZ-HXUWFJFHSA-N 402.458 1.826 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCN(Cc2ccccc2Cl)CC1 766982465 FJNSPLCCXBFACE-VHEBQXMUSA-N 417.897 1.694 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C(C)(C)C)s2)c(=O)n1CCOC 769874612 WOBXEJVPMGZTNW-UHFFFAOYSA-N 405.545 1.164 30 10 HDEE C#CCN(C(=O)NCCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCS(=O)(=O)C1 774233417 IMNQRTIWECSMTA-SFHVURJKSA-N 404.467 1.386 30 10 HDEE Cc1cc([C@H](C#N)C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)nc(C)n1 777292218 GINPIXBFSAAOEG-HOCLYGCPSA-N 401.467 1.785 30 10 HDEE C[C@]1(C#N)CCCN(CC(=O)N2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C1 784450820 AKDAZROIIJDLIP-SQSNZIKMSA-N 416.547 1.757 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N[C@@H]1CCN([C@@H](C(=O)O)c2ccccc2)C1=O 788680140 QCCSNQQYTSNUAF-NVXWUHKLSA-N 417.418 1.402 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(Cc3ccccn3)CC2)n1 788861030 RHSZXCAEFMSWIU-UHFFFAOYSA-N 410.522 1.734 30 10 HDEE CCn1cc(C=Nn2c(-c3cnn(C)n3)csc2=NCCc2ccccn2)cn1 789990201 JKCWSUZYLJTZRU-UHFFFAOYSA-N 407.507 1.982 30 10 HDEE C=CC[C@@]1(C(=O)N2CCC[C@@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790639942 PCMYRSHYSJKIQA-BEFAXECRSA-N 415.556 1.872 30 10 HDEE C=CC[C@@]1(C(=O)OCCN(C)S(=O)(=O)N(C)C)CCCN1C(=O)OC(C)(C)C 791804676 KITBTGBKFXHYAL-SFHVURJKSA-N 419.544 1.614 30 10 HDEE CN(C)S(=O)(=O)N1CCCN(C(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1 794086764 MUTBGXLJZUCRKA-UHFFFAOYSA-N 403.426 1.398 30 10 HDEE Cn1cc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C(C)(C)C)cn1 796853021 ZLBHENZDBYEUKM-HOCLYGCPSA-N 421.523 1.248 30 10 HDEE CCOC(=O)[C@@H]1CC[C@H](N2C(=O)[C@H](CC(=O)NC)SC2=Nc2cnn(CC)c2)C1 797814654 AMUXKDBQHHTGTH-SNPRPXQTSA-N 421.523 1.702 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)c4ccc(C)c(C#N)c4)CC3)C2=O)n(C)n1 799364133 ZVROIBGLPZVKPA-FQEVSTJZSA-N 420.517 1.862 30 10 HDEE COCCn1c(COc2ccccc2OC)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802450502 WUBMDFHJLPOTEH-QGZVFWFLSA-N 412.494 1.689 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2c2ccccc2)n1C)[C@H]1CCS(=O)(=O)C1 809864432 HUEFLPXJMIJUPQ-BZSNNMDCSA-N 400.504 1.687 30 10 HDEE CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 1128015272 FEMBGLPSPNZXJP-AWEZNQCLSA-N 403.485 1.949 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1134505446 LPQUWKMSESVTRL-HUUCEWRRSA-N 417.491 1.890 30 10 HDEE N#Cc1cccc(C(=O)N2CCOC3(CCS(=O)(=O)CC3)C2)c1Br 1135185733 KYGYMQXNWPDCFQ-UHFFFAOYSA-N 413.293 1.741 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)CN2CCCC3(CC3)S2(=O)=O)CC1 1135947302 UWTLLERAFZGLPQ-UHFFFAOYSA-N 406.483 1.304 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCOc2ccc(S(N)(=O)=O)cc2)CC1 1143100929 BKWZMORKEGEPAT-UHFFFAOYSA-N 414.487 1.323 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1149468690 DUEUBNGBVRJDGJ-AWEZNQCLSA-N 409.471 1.420 30 10 HDEE Cc1ccc(C(=O)NCC[C@@H](N(C)C)C(F)(F)F)cc1S(=O)(=O)NCC#N 1154433574 JLNAJGGLHPJFCR-CQSZACIVSA-N 406.430 1.409 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCCCc1ccc(S(N)(=O)=O)cc1 1161901665 JGPMKZGBEYTUCY-IBGZPJMESA-N 409.508 1.644 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)nc1 1180447762 NIYCHTJHNGUSLT-AUUYWEPGSA-N 414.487 1.992 30 10 HDEE COCCO[C@@H]1COCC[C@@H]1NC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1234449980 GVVFSMXFEQHHKQ-FGTMMUONSA-N 403.483 1.360 30 10 HDEE N#C[C@H]1CN(C(=O)NCCC2(O)CCN(Cc3ccccc3)CC2)CCN1C1CC1 1254730958 QOWBKDXPAQORRF-NRFANRHFSA-N 411.550 1.785 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N(C)Cc2cccc(N3C[C@@H](C)CS3(=O)=O)c2)C1 1255362695 GLRVBIZPLPQZET-IEBWSBKVSA-N 418.563 1.712 30 10 HDEE CO[C@H]1CN(C(=O)OCc2ccccc2)[C@@](C)(C(=O)NCCn2cnc(C#N)n2)C1 1271807801 VESPZTMSGXPPLJ-OXQOHEQNSA-N 412.450 1.082 30 10 HDEE C#CCCN(CCOC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1280419818 BYTSOZAZYMSQJJ-MRXNPFEDSA-N 423.491 1.494 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1286277268 BXQAKPLGXLKPAH-FGTMMUONSA-N 415.542 1.863 30 10 HDEE C#CCCCn1c(C2CCC2)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1286347637 PKJOIKDKPYAXOM-GOSISDBHSA-N 421.567 1.590 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCS(=O)(=O)C1 1286385731 OOUUQFRVROUECU-NVXWUHKLSA-N 418.519 1.689 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@H](CO)O1 1286419267 QAAKDRRSPHVFTQ-ZWKOTPCHSA-N 401.511 1.199 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286433038 IHKNDNIVRQNWPG-QGZVFWFLSA-N 410.526 1.376 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2ccc(C)nc2)CC1 1286470339 XPEGUYFCYVQVAC-UHFFFAOYSA-N 409.538 1.703 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC[S@](=O)CC)CC1 1286477068 NOAZZPLBKRFGGQ-GDLZYMKVSA-N 410.547 1.950 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H](OC)C(CC)CC)CC1 1286480542 YRJTXHYOQIVLEG-RBUKOAKNSA-N 416.570 1.826 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC[C@H](C)C2)CC1 1286485259 GZWJTWXDTHGOES-IRXDYDNUSA-N 414.554 1.818 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cscc1C 1286726482 FLOZCXKFGWCNSU-OAHLLOKOSA-N 411.553 1.651 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1286820353 KBUSTHGJCLYMMM-ZJPYXAASSA-N 424.567 1.634 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CC[C@]2(CCOC2)O1 1286968062 IUFUCMBVGWFOJX-YKTARERQSA-N 423.539 1.114 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1291113244 ALKUCWZQPFVCNX-QRWLVFNGSA-N 415.519 1.603 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@H](C)N2CCN(CC)CC2)CCCN1C(=O)OC(C)(C)C 1292986398 KVHFGEJISOPDNZ-XMSQKQJNSA-N 406.571 1.922 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC([C@H](O)c4nccn4C)CC3)CC2)o1 1295337626 CKOBIAHRPUAWID-SFHVURJKSA-N 412.494 1.777 30 10 HDEE C[C@H](O)c1cn(C2CN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)C2)nn1 1296122688 JMBJZTORLBGCBU-AWEZNQCLSA-N 403.483 1.365 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O)C(=O)OC 1299178721 IUMRBCSOAJWDFD-NOZJJQNGSA-N 407.220 1.115 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCN(C(=O)C4CC4)C3)C2)C1 1299536279 WTIDHAOSDPGXPJ-ZGOJQLDESA-N 402.495 1.812 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1300271712 JSQPBORVCUOBIL-CABCVRRESA-N 419.551 1.622 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300496855 VMJICXFWLRNWMO-MDYRTPRTSA-N 422.551 1.224 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1csc(CC)n1)[C@@H]1CCS(=O)(=O)C1 1300498502 KPHRROZDJCIRHC-OAHLLOKOSA-N 407.565 1.729 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1300620965 IESXYHIGKTXNRV-FUHWJXTLSA-N 406.490 1.742 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@]2(O)CCOC2)CC1 1300708592 VVSPGRREOYPUGH-QFIPXVFZSA-N 411.506 1.072 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)C(C)(C)C 1300778928 KICRMUNWEGDLDH-HXUWFJFHSA-N 421.567 1.720 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCCCN1CCC[C@H]1CO 1300800862 ASWHCRCJYCTVCG-NPPFBWRTSA-N 414.554 1.458 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1300839055 CGCGONNLGGKTFH-TZMCWYRMSA-N 418.299 1.891 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1300956563 AUUIYMGGKXLXHQ-GOSISDBHSA-N 411.554 1.877 30 10 HDEE COC[C@@H](Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N)OC 1301011360 CCIKVHGBTPQDHM-UONOGXRCSA-N 411.466 1.994 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C[C@@](C)(C(F)F)O1 1301084953 QEEVGXBSQDMBLR-QFSBIZTOSA-N 401.435 1.496 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCOCC)CC1 1301124424 IAZSKGCXIFZYLA-MRXNPFEDSA-N 413.544 1.050 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301196724 IHWOXMWXYOTFLF-ZBFHGGJFSA-N 407.544 1.031 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301484714 LFZPVYMPLGQDAG-JKSUJKDBSA-N 408.418 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](Oc2ccccn2)C1 1301490835 GBADKZWZYOKCPX-MRXNPFEDSA-N 405.462 1.695 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC2CC2)C1 1301553498 MXXNPTMNWFDLAG-SFHVURJKSA-N 417.535 1.946 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@](OC)(C(F)(F)F)C2)s1 1303064513 ROFPNFHEDLGGNW-AWEZNQCLSA-N 412.455 1.935 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCc3ccc(NC(C)=O)cc3C2)cc1 1303386300 IQTSTTUEBQJFTG-UHFFFAOYSA-N 411.483 1.755 30 10 HDEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(C)(C#N)CC1 1303451776 XOTCITXVEMZFDT-UHFFFAOYSA-N 413.482 1.660 30 10 HDEE CC(C)[C@](C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CC(N)=O 1303652058 GQPPNJBCNOCJEU-YCRPNKLZSA-N 414.510 1.836 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1303935819 XQLALKNDLNLVAT-UWJYYQICSA-N 416.526 1.945 30 10 HDEE Cc1cccnc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1304582618 BVHXJWGJPQNEGM-MRXNPFEDSA-N 400.508 1.672 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1305111329 BJDIARHCLULWMI-HZMVEIRTSA-N 417.558 1.855 30 10 HDEE CC[C@@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1305379617 DBQZFZYUYSZOGD-FOIQADDNSA-N 417.535 1.849 30 10 HDEE C#CC[C@@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1309665930 CPFWFPGLDQLDGG-LBPRGKRZSA-N 401.282 1.021 30 10 HDEE CN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1313191193 RLXLHBWBVLMDSG-MSOLQXFVSA-N 402.495 1.895 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 1313413016 LFRRNNMUHCKWFR-LJQANCHMSA-N 412.542 1.806 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1315693816 DFFPQAOPBQKFCJ-KRWDZBQOSA-N 418.523 1.323 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOC(F)F)CC1 1316535408 NIFIHAUXSFMWOP-CYBMUJFWSA-N 403.455 1.549 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2C)sc(=Cc2cnn3ccccc23)c1=O 1324464256 RZELNVRTFSXZSU-UHFFFAOYSA-N 424.485 1.885 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1339042683 BIRLPOGXNZKLQU-SJLPKXTDSA-N 423.535 1.019 30 10 HDEE Cn1c(C(=O)N2CCN(c3ncccc3C#N)CC2)cc(Br)c1C=O 1339760743 ZXMJVORKKUMTAK-UHFFFAOYSA-N 402.252 1.829 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CN2Cc3c(cnn3-c3ccccc3)C2=O)c1 1355307748 MIJYTRFRKVUUGM-UHFFFAOYSA-N 413.437 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1358889433 BSEXOKLYZPJBIM-HRCADAONSA-N 415.460 1.893 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1C[C@@H](C)C[C@H](C)C1 1358938825 KFEDUNOXHXDULX-ULQDDVLXSA-N 410.588 1.326 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CC(=O)N(CCOC)C1 1358951198 MWICUSWYERVWOG-OAHLLOKOSA-N 402.524 1.198 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ncc(CC)s1 1358978490 OEKFAKYCFYTOIT-AWEZNQCLSA-N 403.533 1.320 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC12CCOCC2 1358984758 GFFVPOBQMMSBDV-SJORKVTESA-N 419.551 1.168 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1ncccc1N(C)C 1358985782 HGTJPLHIHZXXSZ-QHCPKHFHSA-N 422.533 1.902 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1359000519 XTWIKCGMPIJTET-CYBMUJFWSA-N 410.569 1.664 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCN(CCOC)CC1 1359098020 WNDXJFFLMIPALH-PKOBYXMFSA-N 413.526 1.485 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CCOCC2)CC1 1359179562 YHFAJTJQCMWCGJ-SJLPKXTDSA-N 423.583 1.303 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H](C)C#N 1359203730 UXAMDLNBMMSDPT-HOTGVXAUSA-N 410.544 1.563 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnccn2)n1Cc1ccc(-n2cncn2)nc1 1359270426 OVBNZITXJYQGOR-UHFFFAOYSA-N 400.450 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1C[C@@H](F)[C@@H](c2ccccc2)C1 1359298296 UOSAJISOSLTJRR-IAGOWNOFSA-N 407.453 1.979 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2c(Cl)cccc2C1 1359298806 MMUYNGIOKZCQEO-INIZCTEOSA-N 414.897 1.748 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1C[C@@H]2[C@@H](C1)C2(C)C 1359303981 HIOVJHFLDBNBIQ-ZIAGYGMSSA-N 414.535 1.664 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2nncn2C)CCOC1 1360335528 FXYYYNVCKGMTSI-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 1449693158 IWNCNNOOOZDMNJ-QGZVFWFLSA-N 414.480 1.164 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1c[nH]c2ccc(I)cc2c1=O 1454357207 XCDDSRHFEFMKCP-NSHDSACASA-N 410.211 1.901 30 10 HDEE CCS(=O)(=O)N1CCC(C(=O)NCc2cncc(C#N)c2)(c2ccccc2)CC1 1456020930 SUIOYMSTTHBSMC-UHFFFAOYSA-N 412.515 1.953 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cc(C(F)(F)F)n(C)n1 1456322144 KPHGINOEWDUZNM-VIFPVBQESA-N 401.370 1.616 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCC3(CCOCC3)O2)s1 1456556981 HPPMQCQLCGWTSG-AWEZNQCLSA-N 414.549 1.599 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@H]1CCn1ccnn1 1457142000 VUQXAAOHZOFXIC-HNNXBMFYSA-N 416.507 1.178 30 10 HDEE COCCCn1nc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)ccc1=O 1458882561 MPPLFQSVCUJHME-GOSISDBHSA-N 409.446 1.077 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(Cl)c1C 1462894342 FUYLTKREAOSADA-ZDUSSCGKSA-N 421.924 1.799 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2ccc3c(c2)CCN3C(N)=O)c1 1466088370 CNBDQBGKJZUYOF-UHFFFAOYSA-N 402.407 1.816 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1OC 1467810576 BUORMSVEPUVYIY-RBUKOAKNSA-N 419.522 1.892 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CC)NC(=O)OC(C)(C)C)cc1 1468242403 QCLTVSIIUJXBDX-OAHLLOKOSA-N 409.508 1.631 30 10 HDEE C#C[C@H](CO)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C(F)F 1468479293 QKERRJXORCWPOI-LLVKDONJSA-N 413.425 1.512 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468557402 DKACLQFNEDCBSO-MJGOQNOKSA-N 420.556 1.740 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)O1 1469591189 RTRSYEJMMFYVCS-ULQDDVLXSA-N 400.483 1.175 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)Cc1ccc(S(=O)(=O)N(C)C)cc1 1469873525 BKHAKHKGFHTOKU-LJQANCHMSA-N 401.488 1.543 30 10 HDEE C[C@H](CC(=O)NC1CCC(C)(N(C)C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1471262923 VTBHKCVXBYTTIE-ZUIJCZDSSA-N 406.552 1.883 30 10 HDEE CN(CC(=O)NCCC1=CCCCC1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 1472033969 MBHZBVPEIWTGKC-UHFFFAOYSA-N 417.531 1.938 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCO[C@](C)(C#N)C1 1472146213 ORTIFWFSIOHVPI-HNAYVOBHSA-N 404.492 1.281 30 10 HDEE Cc1ncsc1CCS(=O)(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 1475187900 CDGBCHGILUSBHM-INIZCTEOSA-N 404.517 1.981 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)C1 1476025855 HHNZOKBBABVPCX-HEHNFIMWSA-N 404.492 1.491 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)N1CCC(n2cnc(C(N)=O)c2N)CC1 1476224442 CYWDJZKKCHKZBN-UHFFFAOYSA-N 400.414 1.584 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)CC1 1477613318 LNPKTILJOLRDAH-MRXNPFEDSA-N 408.524 1.330 30 10 HDEE C#CCN(C(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1)[C@H]1CCS(=O)(=O)C1 1479134402 WHHSOJHOVTUOSQ-VQTJNVASSA-N 419.547 1.028 30 10 HDEE C#CCC[C@H](O)CNC(=O)N[C@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1479456088 YHPIJZBOBZAOET-GJZGRUSLSA-N 403.483 1.347 30 10 HDEE C#CCC1(C(=O)N[C@H](CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C(C)C)CCOCC1 1487608569 NJZKQEUHPHODHJ-FZWBFHRNSA-N 402.535 1.877 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1494642738 HRIHDOGCIRFRLW-RYGJVYDSSA-N 402.499 1.184 30 10 HDEE CC[C@H]1CN(c2nnc([C@H]3CCOC3)n2Cc2ccc(C#N)o2)CCN1CCOC 1499729623 VJMFFLKZTWUMMC-IRXDYDNUSA-N 414.510 1.842 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(C)COCCO1 1503066373 AHZJDJDLQGAHKL-HXUWFJFHSA-N 414.466 1.155 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)cc1 1507543880 XLUOTQYMYCFPIN-QGZVFWFLSA-N 408.506 1.597 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C)CC1 1507589716 ZAJHUQNMHHRJQJ-INIZCTEOSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1507606227 DYKAQRFTRACINN-UHFFFAOYSA-N 405.524 1.426 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CCN1CCSCC1 1507713419 JMERNVPZGUSITF-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1507743837 KWBMNKUVRHKAEL-QGZVFWFLSA-N 404.584 1.511 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NC)CC1 1507797361 CXPGHVYQCQVKNV-BQFCYCMXSA-N 416.526 1.173 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1c(C)nn(C)c1C 1507942478 DCMUDHJKZDGLBD-AWEZNQCLSA-N 409.560 1.841 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](c2nc(C)cs2)C1 1508079652 BSJKQMZUFSVQOF-HNNXBMFYSA-N 413.507 1.918 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)noc2C)C1 1508109621 ULLQYHPIYOBKAM-INIZCTEOSA-N 400.483 1.949 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCn1cnc2ccccc21 1509692227 DFOIQKLWNZREQW-OAHLLOKOSA-N 408.466 1.195 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1512177585 CYMSWJAVPPIUEZ-ZFDMEJTGSA-N 415.498 1.179 30 10 HDEE CS(=O)(=O)N1CCC(N(CC(F)F)C(=O)c2ccc(C#N)c(Cl)n2)CC1 1519128633 MMCAXLMRLSZSLA-UHFFFAOYSA-N 406.842 1.738 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCNC(=O)c2ccco2)CCO1 1521136425 FJDJUHQTLWWFQN-QGZVFWFLSA-N 424.436 1.760 30 10 HDEE C=CC[C@]1(C(=O)NCCNC(=O)c2cnccn2)CCCN1C(=O)OC(C)(C)C 1521695072 URSDWAHAEOBGAI-HXUWFJFHSA-N 403.483 1.668 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 1525109149 IJKBAVFKFTWJQD-SFHVURJKSA-N 416.524 1.969 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)c(Cl)c1 1530702102 YXAXLYSZEMPZRO-HNNXBMFYSA-N 400.870 1.802 30 10 HDEE C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)CN1CCC[C@H](C(=O)OC)C1=O 1531613162 YGVWARLNOGHCPD-HNNXBMFYSA-N 419.430 1.527 30 10 HDEE C=CCCSCCNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1531721273 KQHPZYDGAALMIP-RDTXWAMCSA-N 418.581 1.694 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1539066199 QUMPMPBSNXGCOI-OALUTQOASA-N 414.554 1.581 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](NC(=O)OCC)C1 1539132373 JYLPLRYJNWYEON-INIZCTEOSA-N 402.499 1.529 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1-n1ccnc1 1539148652 MDPZKCFBISRUIO-HNNXBMFYSA-N 413.507 1.192 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)NCc1cc(C#N)ccc1F 1539162379 DVFQITSDBUYPOT-UHFFFAOYSA-N 424.475 1.446 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCO[C@H]1CCCC[C@@H]1C 1539414221 SDVZXXXLSDOQSW-BZSNNMDCSA-N 403.527 1.911 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CCCCCC2)CC1 1539427335 BCBVFBCIBKZZOS-UHFFFAOYSA-N 402.543 1.257 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC[S@@](=O)C(C)(C)C)CC1 1539444484 PTPNNWLNOZABJE-MUUNZHRXSA-N 402.568 1.586 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)Oc2ccc(C)cc2)CC1 1539445629 BFNASNTYBXYJRQ-UYAOXDASSA-N 422.533 1.760 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C/C=C/CC 1539557298 PSTUGXYSVRQPMZ-XANICSHESA-N 407.540 1.569 30 10 HDEE C=CCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1540028844 JVPKYSMJDGVJSK-UHFFFAOYSA-N 409.494 1.871 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(OC)CCOC1 1540162900 UDFLGCHZVOHISH-NRFANRHFSA-N 422.493 1.905 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1540866125 CUNUKSODKFLDFB-FQEVSTJZSA-N 417.897 1.896 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(CC(=O)N(C)C)CC1 1540866801 APDZFLXBYSPBGL-UHFFFAOYSA-N 410.522 1.942 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC(C)(C)C)C1 1540883294 XGMNKIZOYNJCDU-HNNXBMFYSA-N 406.531 1.502 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@H]1COCCO1 1543346092 POYXVPAEWUQXAT-SJLPKXTDSA-N 401.463 1.924 30 10 HDEE C#CCN(C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)[C@@H]1CCS(=O)(=O)C1 1543462077 JNLICZVXKXKQEG-CQSZACIVSA-N 424.523 1.349 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)C[C@H](C)O1 1544756470 WLOLNLJTPVXQDM-GJZGRUSLSA-N 403.508 1.865 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C[C@@H]2NC(=O)NC2=O)cc1 1545818615 KIMHDMBWNKHMHR-HOTGVXAUSA-N 414.462 1.682 30 10 HDEE CCc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccc(C(N)=O)nc2)cc1 1546221256 BTVPNSRJBQUOBL-SFHVURJKSA-N 417.473 1.778 30 10 HDEE CCC[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1546884521 KTLGNDUHMUWOAM-HMWBCQRISA-N 412.498 1.830 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1sc(C)nc1C 1555668808 GTFAEGHGASPCDP-UKRRQHHQSA-N 406.512 1.853 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)cc1 1557998284 JGBMOIDAHSPWNB-UHFFFAOYSA-N 423.494 1.487 30 10 HDEE CCc1ccccc1-n1cc(O)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1558643086 LWASZUAFZDAGDD-IFXJQAMLSA-N 400.460 1.151 30 10 HDEE C#C[C@@H](CCC)NC(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 1564999159 HIDGLPZFGUKFBI-HNNXBMFYSA-N 406.508 1.496 30 10 HDEE CCN1CCC[C@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1=O 1565387694 LZLRLIKEMQHGHW-IBGZPJMESA-N 423.521 1.877 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN1C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1566142110 PMXAWTRGTZYWRK-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)COCc1ccnc(O)c1 1574372229 BNTGQNMXXRGXEH-ZBRFXRBCSA-N 401.463 1.143 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 1583094053 HHKVBGMDAXKHRY-YYFZDKIDSA-N 419.503 1.417 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)N(C)CCc3ccccn3)n[nH]2)c1C 1584682635 PDKNNAWVBYQDLO-UHFFFAOYSA-N 421.505 1.902 30 10 HDEE CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585211089 HLBCYMRPZNFRQD-RDJZCZTQSA-N 417.941 1.707 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C1CCOCC1 1587810082 NVYNWLMSMSPXLH-JTSKRJEESA-N 413.474 1.315 30 10 HDEE COCCN(CC1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1587816770 DCNQMKZYXVEBQY-UHFFFAOYSA-N 422.551 1.309 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC1)[C@@H]1CCS(=O)(=O)C1 1588029768 LSZCMJIOWOHHSE-MRXNPFEDSA-N 407.540 1.233 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](OCC)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1588035516 USHKDUPBWLKHSA-MOPGFXCFSA-N 402.520 1.991 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1588198419 SDLCDIOJFNEDSC-UHFFFAOYSA-N 409.453 1.822 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOCC(C)C 1588228401 FMONWCMGAHHIBF-GOSISDBHSA-N 406.552 1.706 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1CC1(NC(=O)OC(C)(C)C)COC1 1588385181 FZCOXOVAURXBSF-HNNXBMFYSA-N 405.499 1.535 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2csc(C)n2)n1C[C@]1(C)CN(C)C1=O 1595303548 VCVRGQQFPXXGRR-IBGZPJMESA-N 404.540 1.751 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1595544435 ICQOFWMTVDDEPV-IIBYNOLFSA-N 419.526 1.596 30 10 HDEE COC(=O)c1cc(CNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)n(C)c1C 1596445393 BJRYVLRTMQFOAT-UHFFFAOYSA-N 408.462 1.900 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cc(OC)c1OC 1598244887 GRXWWTVZJBXFTD-UHIISALHSA-N 415.368 1.850 30 10 HDEE N#CC[C@@H](NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(F)(F)F 1598394745 NHWCEOCQHPWHKI-CHWSQXEVSA-N 420.369 1.709 30 10 HDEE CC(C)Cc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1603596396 KIPSSFQFZKCULX-OAHLLOKOSA-N 420.539 1.755 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1(C(N)=O)CCOCC1 1613524303 GZNKEQKIKNLSHX-CQSZACIVSA-N 419.530 1.217 30 10 HDEE C=CC[C@]1(C(=O)N2CCO[C@H](CS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1617933104 FVMLLQQNCDKBEG-HNAYVOBHSA-N 416.540 1.604 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC1 1620357919 UUXCPZSVSDKCPN-OAHLLOKOSA-N 414.491 1.823 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1620358751 DFZZANHRMAUXJR-DLBZAZTESA-N 407.540 1.737 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CCCS2(=O)=O)cc1 1622886551 KBXSWGPZHYLXPR-OAHLLOKOSA-N 415.537 1.582 30 10 HDEE Cc1nsc(N2CCN(C(=O)Nc3csc(S(N)(=O)=O)c3)CC2)c1C#N 1626997310 FWBLCEYALGCIAT-UHFFFAOYSA-N 412.522 1.386 30 10 HDEE C#C[C@H]1CCCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1627504039 LCAVRIZHVRXGDO-KRWDZBQOSA-N 406.504 1.273 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCCS(N)(=O)=O)nc1C 1628356880 MWQKOBSOBSCDII-UHFFFAOYSA-N 402.527 1.192 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c1 1628796957 UXJPMBQOKZUUSU-AWEZNQCLSA-N 414.418 1.683 30 10 HDEE C#CCN(CC(=O)NC1(C(=O)OC)CCC(C(=O)OC)CC1)C(=O)OC(C)(C)C 1630654834 UZXYDHGGHKGJSN-UHFFFAOYSA-N 410.467 1.248 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1c(C)nnn1CC 1631089667 MWSGSODLMXUYJF-HNNXBMFYSA-N 418.523 1.520 30 10 HDEE CCN(C(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1)[C@@H](C)C(=O)OC(C)(C)C 1632795345 ZJLOJFANTIHWSL-AWEZNQCLSA-N 409.508 1.989 30 10 HDEE C=CCn1c(SCC(=O)N[C@@H](CO)COC(C)=O)nnc1-c1ccc(Cl)cc1 1632811208 WLFAIRDLWSLVQQ-HNNXBMFYSA-N 424.910 1.917 30 10 HDEE C#CCC1(O)CCN(C(=O)CC[C@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1633140578 FITXNCKAIMRKNQ-MRXNPFEDSA-N 403.866 1.922 30 10 HDEE N#CCC1(O)CN(C(=O)CCCS(=O)(=O)c2cccc(Br)c2)C1 1633249942 HGWKHQYVVQUONX-UHFFFAOYSA-N 401.282 1.490 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O 1633580374 WJMCYLUKRDYAGC-KRWDZBQOSA-N 400.479 1.559 30 10 HDEE COCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 1633865178 ABKKKDBLPZZBMS-RXABAKJHSA-N 414.506 1.900 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)OC)c1cc[nH]n1 1635295655 RPRICCGCRXTXKT-GUYCJALGSA-N 416.434 1.360 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2Cc3ccccc3NC2=O)s1 1635321359 VJUJDKXEXQFWQB-OAHLLOKOSA-N 405.501 1.435 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1 1635567237 OTVHAGRDNOUYTG-RVWIWJKTSA-N 413.499 1.701 30 10 HDEE C#CCN(CC(=O)N1CCOC2(C1)CN(C(=O)OC(C)(C)C)C2)C(=O)OC(C)(C)C 1636668450 LKQOSLPKAKXEPU-UHFFFAOYSA-N 423.510 1.705 30 10 HDEE CC(C)n1cc(C(C)(C)NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1639388628 GXGBDDWQRJIKRK-CYBMUJFWSA-N 418.523 1.728 30 10 HDEE N#Cc1cn(CCNC(=O)c2oc3ccccc3c2Br)c(=O)nc1O 1641970444 IWOBKLHXNDBTRI-UHFFFAOYSA-N 403.192 1.759 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)C1 1643888092 HXNGPFIMTBULEC-FPOVZHCZSA-N 416.485 1.716 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2cc3c(nc2O)CCCC3)cc1 1643965039 HWYCGJLWBWTMJP-UHFFFAOYSA-N 400.460 1.132 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1645088369 VGGUBPNPFHMWOK-CRAIPNDOSA-N 405.524 1.463 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN(C)C(=O)OC 1645750291 RFZPWJYVGSLPGL-HNNXBMFYSA-N 424.523 1.441 30 10 HDEE COc1cn(C)nc1[C@H](C)NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1647662587 LGSMZIZLHAVZAB-WFASDCNBSA-N 410.434 1.383 30 10 HDEE N#Cc1ccc(OCC(=O)N[C@@H](CO)[C@@H](O)c2cccnc2)cc1Br 1648705385 UBLKRFYMYYURDP-RDJZCZTQSA-N 406.236 1.305 30 10 HDEE Cc1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1[N+](=O)[O-] 1648977601 FGQQIMWTQSCZMN-UHFFFAOYSA-N 402.432 1.648 30 10 HDEE O=C(c1ccnc(N2CCCCC2)n1)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040467 FFMWZYUERBRVKX-UHFFFAOYSA-N 409.446 1.985 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCS(=O)(=O)C[C@H]1CCO 1652285715 BWLNSDUTHKNVEE-HUUCEWRRSA-N 404.529 1.244 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(C(=O)NC)cc(Cl)c1C 1655924624 SCPCXUGGWVUHNU-UHFFFAOYSA-N 414.911 1.974 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(SC(F)(F)F)cc2)CC1 1658314080 MFCNWFIXXSVIIT-UHFFFAOYSA-N 422.454 1.916 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC)C1CCOCC1 1665155680 DJVJTROAIRCOND-MWWKQMNYSA-N 423.487 1.597 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC([C@H]3COC(=O)N3)CC2)cc1 1665969004 IQCZDZVGGFSIBJ-QGZVFWFLSA-N 422.507 1.845 30 10 HDEE CC(C)(C)OC(=O)NC1(CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CCC1 1670899472 CRLKYCKZBRFNEA-GUYCJALGSA-N 412.512 1.014 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2)C(=O)OCC 1671198928 IWPMKIDCESCEFJ-NVXWUHKLSA-N 411.476 1.729 30 10 HDEE N#Cc1c(CCCNC(=O)NCCO[C@@H]2CC2(F)F)nn(-c2ccccc2)c1N 1674235221 IEIPSEDWXKYUCC-MRXNPFEDSA-N 404.421 1.982 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1682356188 BSTULJRABZAFPK-CQSZACIVSA-N 400.298 1.410 30 10 HDEE C#CCC1(NC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)CCOCC1 1685940770 DWROQUBNNNQWEB-VQTJNVASSA-N 410.518 1.457 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)CCC 1689961485 ZUKUEHUPLUGISP-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1689988593 SFFVCENESWOPRD-AEFFLSMTSA-N 405.568 1.514 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cccs1 1690019989 WDPBWDBDVQGYMC-HNAYVOBHSA-N 418.544 1.222 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CC1CCN(C(=O)OC)CC1 1690030478 VOSCLFVZWULGQW-UHFFFAOYSA-N 414.510 1.358 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(F)(F)F)n1 1690102853 WJKRJAJOCQRFNJ-CQSZACIVSA-N 422.411 1.777 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCN2CCc3ccccc3C2)CC1 1690148714 RBCOPAMOPLVSJF-UHFFFAOYSA-N 420.561 1.865 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)N2CCCC2)n1Cc1nnn(C)n1 1690602671 USABLPLQRIBYJL-UHFFFAOYSA-N 421.509 1.321 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)[C@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690677826 BNQDVTWOVXLSHN-JXXFODFXSA-N 423.583 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cnn(C)c1 1690724738 VQUZBTVGMLHFON-MRXNPFEDSA-N 408.528 1.143 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690740255 OPXXDDSBXHIXTD-SFHVURJKSA-N 403.512 1.629 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@]2(O)CCOC2)CCOC1 1692633443 LRMAHDHUXRTMPO-RTWAWAEBSA-N 419.526 1.600 30 10 HDEE CCOCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCN(CC)C1CC1 1696331451 FYXOJXFOWSNJFS-UHFFFAOYSA-N 424.553 1.892 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN2CCCC[C@@H]2C1 1697007558 QTFUYETZGHTPKB-GOSISDBHSA-N 423.521 1.539 30 10 HDEE COc1ccccc1OCc1nnc(N2CC[C@H](C(N)=O)C2)n1Cc1ccc(C#N)o1 1697610571 VFOMSJMKIOQQLS-AWEZNQCLSA-N 422.445 1.690 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCOC2)C1 1698201665 YXCIMVUMENTHRN-GHTZIAJQSA-N 413.478 1.210 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CN1CCN(CC)CC1 1705500012 DPFJXPYXPAGIMO-RBUKOAKNSA-N 415.586 1.132 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCOCC1 1705590077 AYBHFUZBGYTKPI-KNQAVFIVSA-N 415.538 1.114 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(C)[C@H](C)CC)CC1 1705632448 QKERMPQRIOEJSB-GOSISDBHSA-N 424.553 1.411 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCOC[C@@H]2C)CC1 1705642153 IYGAMCJJQYXKEX-FXAWDEMLSA-N 411.554 1.568 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCCOCC(C)C)CC1 1705647790 KJCAKLUSEYFMTJ-IBGZPJMESA-N 417.554 1.811 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(C)C)CC2)CC1 1705648194 RNELNKNWXGYNQJ-KRWDZBQOSA-N 412.538 1.631 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncccc2C)CC1 1705649108 KNLUFCRVGOOMCU-UHFFFAOYSA-N 418.505 1.396 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@](C)(O)c2ccsc2)CC1 1705649622 CVPQFFUPRIODPX-HXUWFJFHSA-N 401.536 1.776 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)N1CCCCC1 1705717102 CIFZRPXGIWWCIG-KRWDZBQOSA-N 423.583 1.985 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC1(C)C)C1CC1 1705855025 UOHDZPSSYTYTMB-GDBMZVCRSA-N 409.556 1.812 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(=O)C(C)(C)C)C1 1705890748 GCWRRSQPNHVDOE-HZPDHXFCSA-N 423.583 1.745 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C1 1705892572 PRFIBGIAAQAMNF-CABCVRRESA-N 404.515 1.936 30 10 HDEE C=CCn1c(N2CC[C@]3(CCS(=O)(=O)C3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705893307 BPAMJUIPWXTUCZ-RBUKOAKNSA-N 410.540 1.520 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1705902657 KTJHMZSCNJXOSI-NRFANRHFSA-N 408.462 1.115 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1705905370 SQCJQZBPTVTHKM-QFIPXVFZSA-N 424.505 1.510 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2cnnn2C)CCOC1 1706669624 RFMRCMGQYIJGON-HXUWFJFHSA-N 414.514 1.626 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706934993 JPRQAJYTKZBGSL-MGPUTAFESA-N 408.466 1.458 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1(N(C)C)CCCCC1 1712567366 UTSXSWIKOKSASK-QZTJIDSGSA-N 420.558 1.995 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CCC2(O)CCC2)cc1 1712880837 IBSZLLNVMOUFNV-UHFFFAOYSA-N 401.492 1.357 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCCN1CCOCC1 1722275926 GEPALVULWHQPFG-SIKLNZKXSA-N 419.570 1.889 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ccc(C(N)=O)nc1 1722283213 RDWBFSSGZMBDNF-CQSZACIVSA-N 420.473 1.962 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCO)CCc1ccccc1 1722333882 ZROKEHRDDOKKJT-LJQANCHMSA-N 416.547 1.635 30 10 HDEE C#CCCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722335619 VHNDBVSOQHRGLI-SFHVURJKSA-N 424.480 1.894 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1722338270 GQALYLYMCYUQRQ-UHFFFAOYSA-N 412.538 1.795 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1C1OCCO1 1722346461 XXJYTJINFRDGBV-AWEZNQCLSA-N 419.507 1.051 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)NC(C)C 1722388263 XVZVRHZFRDTOLH-UHFFFAOYSA-N 407.478 1.303 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)CC1 1722437739 WLIPCYQAJVMUCH-GOSISDBHSA-N 412.469 1.203 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](C)(O)c2cccs2)CC1 1722447202 JCLUUULTNIVEPC-FQEVSTJZSA-N 401.536 1.776 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCS(=O)CC2)nnc1[C@]1(OCC)CCOC1 1722498680 CLMYANGSZGUDHV-UWVAXJGDSA-N 424.567 1.480 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCN1CCCS1(=O)=O 1722680887 CMXMYJIFAHGLPY-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1722689995 CGCCUFILWYCFDN-UHFFFAOYSA-N 409.556 1.641 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2COCCO2)CC1=O 1723454665 DEUXZLKRXITTCN-IBGZPJMESA-N 424.505 1.537 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1cccs1 1740548393 APNILGVEDBFWOS-DEYYWGMASA-N 408.549 1.607 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1740656196 ICEXODOTRWPVGX-GOSISDBHSA-N 404.536 1.460 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCN2CCOC[C@H]2C)CC1 1740693889 QAIJZDHRRIPIPR-GOSISDBHSA-N 412.513 1.560 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1740696899 KETGNVIHMAZRPY-FQEVSTJZSA-N 420.561 1.847 30 10 HDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)CC1 1740716453 YLIQQZONQIOJQY-UHFFFAOYSA-N 421.530 1.824 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1740810689 FFVKRMFIOAKLDY-RRFJBIMHSA-N 400.932 1.796 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1)C1CC1 1740909914 CVPFEZSIKGKVAP-MRXNPFEDSA-N 407.496 1.407 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1740995068 YPNYEPQBMPZKEL-HZPDHXFCSA-N 407.540 1.079 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@]1(O)CCC[C@H]1C 1744696237 BKXXTEHUCRCPQU-VWKPWSFCSA-N 410.526 1.768 30 10 HDEE CO[C@@H](Cn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)C(C)C 1748431705 XZLPODYYSFBOBI-SFHVURJKSA-N 420.477 1.941 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C)o3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1748483043 DGQGKNRTFRQGPU-FBMGVBCBSA-N 412.450 1.598 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1748805011 MWHBVOCLZIWJLD-FXAWDEMLSA-N 415.563 1.734 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CC12CCOCC2)[C@@H]1CCS(=O)(=O)C1 1748817739 POTRCUPRQHTSBQ-QZTJIDSGSA-N 420.579 1.920 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1749194269 ZMCBFOILYQNTJB-GJZGRUSLSA-N 416.569 1.160 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)N2CCOCC2)CC1 1749302895 ALIJUNZQWGJQKP-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE COC[C@@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ncccc2C#N)CC1 1749306887 CDGAWLWKEHIXFM-RDJZCZTQSA-N 424.509 1.105 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](OC)[C@H](OC)C1 1749368638 OWPGTJZKVIKUFI-OAGGEKHMSA-N 412.556 1.633 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@]1(O)CCc2ccccc21 1749465692 WCAZGRMHLKNOAM-LIRRHRJNSA-N 405.524 1.345 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)cc(C)c2)nnc1N1CCO[C@H](C#N)C1 1749677710 IMLZXLWTCFDXCM-GOSISDBHSA-N 410.478 1.505 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCC(F)F)C1 1751282997 RKEDOWZPYOKDFA-IBGZPJMESA-N 404.421 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)CNC(=O)N1CCCC1 1757724049 SKAZKKPICPEZMU-QSUVVDIXSA-N 404.511 1.021 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1760117093 MIIVRQSUUZZLPC-GDBMZVCRSA-N 407.540 1.259 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccccc1)N1CCOCC1 1760171484 MFFDAWNPTZAHFC-OALUTQOASA-N 408.506 1.372 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1Cc1ccn(C)n1)[C@H]1CCS(=O)(=O)C1 1760186609 PEHSLWGMHBXBGG-INIZCTEOSA-N 404.540 1.275 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1760193095 SUWCVXPDQWSOQC-YESZJQIVSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1760205778 JMJWAAFYXKBQKY-CQSZACIVSA-N 404.442 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCNC(C)=O)CC1 1760254681 GATJGRUNOIVHRX-UHFFFAOYSA-N 400.914 1.880 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[C@@H](F)C1 1760428369 UVDDYQHZEVESAO-OWCLPIDISA-N 415.535 1.762 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCN/C(O)=C1/N=CC=CC1=O 1760457813 IITAOFASOGJIPU-ZZEZOPTASA-N 403.446 1.965 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1 1760554289 YJZSXBSUCJJAGW-GFCCVEGCSA-N 403.455 1.066 30 10 HDEE C=CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1760569730 YSDUGYGDFXDYBS-CYBMUJFWSA-N 420.564 1.500 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCO[C@@H]1CCOC1 1761364311 SWOUHRWIWDQFNL-BZUAXINKSA-N 411.528 1.114 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC(F)(F)CO1 1763111948 ASAOFGSJFGUMSQ-UONOGXRCSA-N 418.452 1.641 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cnccn3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1769053182 FRIXNMBMZQVAEQ-OAQYLSRUSA-N 402.462 1.721 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(NC(C)=O)CC2)n1Cc1ccc(C#N)o1 1771191332 OGFBAUJOQGKMRI-CQSZACIVSA-N 416.482 1.620 30 10 HDEE COc1cc(-c2cc(C(=O)NCC#CCN3CCOCC3)no2)cc(OC)c1OC 1850255220 XOGZTNNTJHDHOI-UHFFFAOYSA-N 415.446 1.433 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)[C@@H]1c1cccc(F)c1 1851092182 UOQALKOTRHLWTA-PBHICJAKSA-N 401.419 1.610 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H]1CC(=O)N(c2cnn(C)c2)C1 1851850726 CLZQJNUHEOXPFH-VXGBXAGGSA-N 401.858 1.407 30 10 HDEE CCCN(C(=O)C1CN(S(=O)(=O)C2CC2)C1)c1nc(C)c(C(C)=O)cc1C#N 1852074857 JZORCGDDEFNNKE-UHFFFAOYSA-N 404.492 1.631 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCc2nn(C)c(=O)cc2C1)c1ccc(F)cc1 1852977027 ZYOSNRJTQRNNER-ZDUSSCGKSA-N 415.494 1.932 30 10 HDEE COc1ccc(C)cc1N1C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1853389215 DLVQHMFLDMFBTI-INIZCTEOSA-N 420.473 1.367 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)Cc2cccnc2Cl)C1=O 1854081924 GPYRJBHNUQQIHJ-IRXDYDNUSA-N 418.925 1.904 30 10 HDEE Cc1nc(C(=O)N2CCN([C@@H]3CCN(Cc4ccc(C#N)cc4)C3)CC2=O)cs1 1854203002 UGOXNJIPPIYAMT-GOSISDBHSA-N 409.515 1.882 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCc3cc(C)on3)C3(CCCC3)C2=O)CC1=O 1854210956 QULHMWQIPDQWJL-QGZVFWFLSA-N 414.506 1.544 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C1=O 1854216209 QSPKMOWGFIDHIA-GDBMZVCRSA-N 406.870 1.879 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@H]1C 1854725873 KQJJTEADLIUBCI-CRAIPNDOSA-N 423.510 1.614 30 10 HDEE Cn1nccc1C(=O)N1CCCC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1854825257 AAWJTGWZCGWEET-GOSISDBHSA-N 407.478 1.030 30 10 HDEE Cc1ncc(CCC(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)s1 1854984678 GOGXHKPEQSQFAN-DOTOQJQBSA-N 403.552 1.822 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCN(C(=O)c3cccc(-n4cnnn4)c3)C1=O)CC2 1855101078 UMXBRODSFXJXDG-FUHWJXTLSA-N 405.462 1.419 30 10 HDEE N#CCS(=O)(=O)N1CC(=O)N(C(=O)CCc2ccccc2F)c2ccccc21 1855728213 XFSKJYVMBFCRQM-UHFFFAOYSA-N 401.419 1.991 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CC(=O)N(C(=O)CC3CC(F)(F)C3)C2)CC1 1855857430 PAAUZGHQDLXQRP-MRXNPFEDSA-N 417.460 1.886 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cccc(Cl)n1 1856005400 WKODNSGNQUYXCE-UHFFFAOYSA-N 418.862 1.999 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)C3CN(c4ncc(Cl)cn4)C3)C2)CC1 1856150177 IIUOZDAXYOPTSW-HNNXBMFYSA-N 416.913 1.567 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC([C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856318585 WTERFRZASZIIHM-PKOBYXMFSA-N 409.490 1.275 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)C(=O)C2)C1 1856847916 BNQBRVHDZQVLLP-UYAOXDASSA-N 410.518 1.361 30 10 HDEE Cn1ccnc1[C@@H]1CCCN(C[C@H]2CCC(=O)N(C(=O)c3ccnc(C#N)c3)C2)C1 1857081999 HQTUQEIHWUUSGX-SJLPKXTDSA-N 406.490 1.945 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)CCc3ccccc3F)C2=O)C1 1857107353 RVJKPKSIAOLKTC-IBGZPJMESA-N 408.433 1.916 30 10 HDEE C=CCNC(=O)[C@](C)(CC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861501344 YFBAOASDYXDYHU-FQEVSTJZSA-N 407.467 1.029 30 10 HDEE COc1cc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)ccc1O 1874341452 KLEHFEBXBZPDFV-ANKPHQHTSA-N 419.507 1.683 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N1CCN(C(=O)OCC)CC1)n2CCOC 1875223100 CIFHDARJBYZJNO-UHFFFAOYSA-N 416.482 1.590 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908253897 CEYGFAPCECJQEK-LJIZCISZSA-N 422.331 1.907 30 10 HDEE CC1(C)OB(c2cnc(N3C[C@H]4[C@@H](C3)OCCN4Cc3ccccc3)nc2)OC1(C)C 2052552999 ARAOJDRYJCAIEM-VQTJNVASSA-N 422.338 1.865 30 10 HDEE C=C[C@]1(O)CCCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)C1 2074506937 NMAHDMPAUVXNRV-FQEVSTJZSA-N 406.504 1.796 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccsc2C(=O)O)[C@@H](C#N)C1 2106309936 SLGHYOSBZLJKGB-JTQLQIEISA-N 401.466 1.580 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(S(=O)(=O)CC2(C#N)CCCCC2)C1 2168120020 QVAYVDZIFQZAGC-LSDHHAIUSA-N 401.529 1.750 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@@H](CNS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2174779556 KOBHVKQHJYVFER-GJZGRUSLSA-N 400.545 1.949 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174788233 CAVYSYYZJKVKRF-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N=c1[nH][nH]cc1CN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2217454306 SLKOGVCXKKPPCM-UHFFFAOYSA-N 415.303 1.907 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247912462 HAAVTDORAIYTNR-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE N#CCC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)CC1 2258174201 WAGKFSPAOYRJIP-MRXNPFEDSA-N 409.464 1.321 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC=C[C@@H]3CO)cc2Cl)OC1(C)C 2267358555 GJRAUESLBIUDQH-SNVBAGLBSA-N 405.734 1.622 30 10 HDEE COC(=O)[C@@H](CS(=O)(=O)Nc1cccc(C#N)n1)NC(=O)OCc1ccccc1 2270511694 ZLSZMCZFVPQEFM-OAHLLOKOSA-N 418.431 1.163 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](N)[C@@H]1C 2282304551 LXJRKNFAGGETEZ-AAEUAGOBSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCOC[C@H]3CN)cc2Cl)OC1(C)C 2282313007 FBOJYPJDIRAHLP-SNVBAGLBSA-N 422.765 1.049 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=S1(=O)CCCCC1 2282336994 IQIGWXBQFBYDTD-UHFFFAOYSA-N 403.335 1.060 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCCCC34OCCO4)c2)OC1(C)C 2282348832 QAASICHIYNJYLK-INIZCTEOSA-N 424.328 1.345 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CCOC2)c1B1OC(C)(C)C(C)(C)O1 2282418181 MSQQLRSWNUDJLO-CYBMUJFWSA-N 401.359 1.979 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NCc2nncs2)OC1(C)C 2282499172 AXEXOIBVVHHENS-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CCCN(C)C1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282502234 IGJYBWZROJVARR-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CS[C@H]1CC[C@H](NS(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282508563 XXVOVSVUXPJNOV-RYUDHWBXSA-N 401.363 1.282 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](C)[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282840356 MUZDDVIPCUOIIA-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CS[C@@H](CNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)C1CC1 2282853863 KHGRUUUJXNABEW-ZDUSSCGKSA-N 401.363 1.139 30 10 HDEE CC(C)[C@@H]1COC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282876563 FQWYTZONVQIXOD-GXTWGEPZSA-N 401.359 1.997 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC(N)CC2)c1B1OC(C)(C)C(C)(C)O1 2282877490 SCOCQDRVYJGFMS-UHFFFAOYSA-N 400.375 1.776 30 10 HDEE C[C@H](CC(=O)O)N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2284417240 IJXDFUMDCFUUAG-LLVKDONJSA-N 403.331 1.672 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2302857691 WZEXJCOYZAMKMK-CYBMUJFWSA-N 414.271 1.230 30 10 HDEE C[C@H](C(=O)N[C@H]1CCNC[C@H]1C(=O)C=Cc1ccco1)N1C(=O)c2ccccc2C1=O 2328155828 JJOSQJHQDCQUEB-ZMYBRWDISA-N 421.453 1.641 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363922734 BEFIPGMKASRQBW-LSDHHAIUSA-N 413.565 1.679 30 10 HDEE Cc1ccc([C@H](C#CC(C)(C)S(C)(=O)=O)NN)cc1I 2365195266 AFGQTNKNSAQIBN-ZDUSSCGKSA-N 406.289 1.931 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](Cc1cncs1)[C@H](O)C#CC1(S(C)(=O)=O)CCC1 2367794166 GIAQPXSNWHCZCY-LSDHHAIUSA-N 414.549 1.911 30 10 HDEE C[C@H](OC(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367797477 VAFWHZOWCYGPPM-SOUVJXGZSA-N 402.557 1.991 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367798120 YCDJPVXITHZJCG-XHSDSOJGSA-N 400.541 1.747 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2367820600 RPLSKOHODWWVAG-CABCVRRESA-N 402.557 1.599 30 10 HDEE C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC(C)=O)[C@H](CCC(C)(C)[C@H]1C=O)OC3=O 4097907 QKDLQFSLLCQTOH-MVVUPFSZSA-N 404.459 1.609 30 10 HDEE biogenic,in-vitro Nn1c(N/N=C/c2ccco2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 20527789 BBHKJZATPSQRJV-CAOOACKPSA-N 402.396 1.670 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(CSc3nnc[nH]3)cc2)CC1 105265437 XDGKBYXETRWLCV-UHFFFAOYSA-N 400.508 1.157 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 219973239 BUFGAMZSXONBOK-GFCCVEGCSA-N 409.265 1.953 30 10 HDEE COc1ccc(C)cc1N1C(=NC(=O)CCC(=O)O)S[C@@H]2CS(=O)(=O)C[C@@H]21 254866446 IRLJJDBCLKVADP-GXTWGEPZSA-N 412.489 1.470 30 10 HDEE C[C@H](C(=O)NCCC(=O)N(C)Cc1ccccc1Br)n1cnc(C#N)n1 409689902 ZYCXDBWGONAYGM-GFCCVEGCSA-N 419.283 1.638 30 10 HDEE CS(=O)(=O)c1cccnc1CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 426835204 IJEUJJITWKYQLL-UHFFFAOYSA-N 417.466 1.528 30 10 HDEE C=CCN1C(=O)N([C@H]2CCCN(Cc3nccn3C)C2=O)C(=O)[C@H]1Cc1ccccc1 431607937 IWSQHODPSTWBEE-RBUKOAKNSA-N 421.501 1.973 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(Cc2ccco2)c1C 434777006 PCYIEWNZCMIZCG-OAQYLSRUSA-N 424.461 1.230 30 10 HDEE C=CCN1C(=O)C(=O)N(Cc2nc(Cc3cc(Br)cs3)no2)C1=O 436297364 XMLZMQZJFPKGJM-UHFFFAOYSA-N 411.237 1.961 30 10 HDEE C[C@H]1C[C@H]1N1C[C@H](Nc2nc(N[C@@H]3CC(=O)N([C@H]4C[C@H]4C)C3)ccc2C#N)CC1=O 436403575 JCMDVYWTYVIJFG-RTNWTXRISA-N 408.506 1.796 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)c(F)c1 440060154 HDHHNTXEHMWAKT-UHFFFAOYSA-N 408.455 1.371 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446923059 QLAKNFHOQRLSKH-QMTHXVAHSA-N 415.397 1.378 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ccsc2)cc1 470436849 FMHUBWFXPFVICQ-OAHLLOKOSA-N 400.485 1.890 30 10 HDEE CC(=O)c1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n(C)c1 478315538 OBQKLKQSHWUSRL-UHFFFAOYSA-N 400.460 1.246 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1 479057984 QYGZRNPUNIHRQE-LJQANCHMSA-N 422.464 1.725 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)cn1 480537838 PNSFNZJJVIOVIS-UHFFFAOYSA-N 421.500 1.589 30 10 HDEE N#CC1(NC(=O)c2cnc3nc(O)nc(O)c3c2)CCN(Cc2ccccc2)CC1 482634405 FTUFSIOMDQBEMU-UHFFFAOYSA-N 404.430 1.724 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1COc2ccccc2O1 484626411 IXRZNAAJLNNJCD-GDBMZVCRSA-N 415.471 1.571 30 10 HDEE CCCCN(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 491058212 XHPDTVJXLGBPKU-UHFFFAOYSA-N 407.540 1.306 30 10 HDEE Cc1nn(Cc2ccc(C(=O)N3CCN(C(=O)CC#N)CC3)cc2)c(C)c1[N+](=O)[O-] 503645666 XEOWYRLUKCUPGK-UHFFFAOYSA-N 410.434 1.655 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 505013032 IKFWAIYMXYNPTD-UHFFFAOYSA-N 408.455 1.357 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 508684501 XXCWBJQAZUDSMI-IPMKNSEASA-N 419.551 1.124 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccc(C)cc2)CC1 508917817 LAPVORHZYBTHPJ-IBGZPJMESA-N 411.506 1.752 30 10 HDEE C[C@H](NC(=O)CC(C)(C)C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 509029406 JQDPKXJOMUJQAX-HNNXBMFYSA-N 420.535 1.332 30 10 HDEE Cc1nc([C@@H]2CCCCN2C(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 513265920 DQPBZPYWTACXBS-WBMJQRKESA-N 402.480 1.405 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C(N)=O)c2ccc(Br)cc2F)CC1 532894397 XBLGXTUIRNDGQD-MRXNPFEDSA-N 413.291 1.034 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1 534494695 SMCYZDTVXNEOSY-HUUCEWRRSA-N 424.486 1.683 30 10 HDEE C=CCOc1ccc(CNC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 557058335 AIDFBGOTSKQGHI-UHFFFAOYSA-N 408.458 1.689 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](Cc2noc(C)n2)C1 558980540 HNRYXSXWJAVGQU-CVEARBPZSA-N 420.539 1.907 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCN(Cc2nc(C)no2)CC1 559028490 WDJKKKRMJHABJC-OAHLLOKOSA-N 405.503 1.592 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCCN3C(=O)c4ccccc4C3=O)CC2)n1 561920885 VHCJQQPMHMXXDN-UHFFFAOYSA-N 418.457 1.471 30 10 HDEE N#Cc1ccc(NC[C@@H]2CCCCN2c2ccc(=O)n([C@H]3CCCC[C@@H]3O)n2)nc1 585613036 WQRHPROEZBVXLQ-FHWLQOOXSA-N 408.506 2.457 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1-c1ccccc1C#N 604002152 MMWQMFXYJDEPHC-UHFFFAOYSA-N 420.519 1.860 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCc2ccc(C#N)cc2F)CC1 609254054 WMJOOEJUTLJDGM-UHFFFAOYSA-N 421.454 1.518 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@@H](C)O1 609891552 DSVMVXMZHAKZOM-HZPDHXFCSA-N 415.519 1.582 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2sc3c(c2C(=O)OCC)CCC3)CC1 611067150 HWZGUNGHBODETN-UHFFFAOYSA-N 420.535 1.865 30 10 HDEE C=CCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 669818268 KMZZEKHEZRVWSQ-VQIMIIECSA-N 412.542 1.244 30 10 HDEE CN1CCCC[C@@H]1CN1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 732201584 HANWMGSLJOQXHR-MJGOQNOKSA-N 422.533 1.614 30 10 HDEE CC(C)(C)NC(=O)CNC(=O)COC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1 732399118 IVWBMNWZZWDSCQ-UHFFFAOYSA-N 410.430 1.933 30 10 HDEE Cc1cc(C)n(-c2ccc(CCNC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)n1 732449346 HMHWOCQCPCUSOR-MRCUWXFGSA-N 422.489 1.857 30 10 HDEE Cc1cc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(=O)C2(C)C)ccc1Cl 735945058 QHMGEQFYKFDFDH-UHFFFAOYSA-N 420.853 1.769 30 10 HDEE COC(=O)[C@H](OC(=O)c1ccc(S(=O)(=O)CCO)cc1)c1ccc(C#N)cc1 740238763 XUYOJPLJNDOMCL-QGZVFWFLSA-N 403.412 1.395 30 10 HDEE Cn1ccnc1C[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1 745813311 KFEYQOGFMAVUPN-QBNCKDSPSA-N 408.462 1.530 30 10 HDEE Cc1nc2ccc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCOC4)c3=O)cc2s1 755048003 LQNCWXJEMNEOHI-AWEZNQCLSA-N 408.508 1.891 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cscn2)c1=O 758060441 ASKZHFBWDTWFNG-UHFFFAOYSA-N 407.476 1.394 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](C(=O)N3CCCC3)C2)C1 758771158 ZEMKHRGPGVRCKV-ULQDDVLXSA-N 419.526 1.789 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)CCC(=O)OCc3ccccc3)CC2)n1 760618634 DWDKKIJIHAAQLB-UHFFFAOYSA-N 414.487 1.539 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2cccc(C#N)n2)CC1 760912624 BVSLNNGHMHFGMY-LDADJPATSA-N 401.492 1.055 30 10 HDEE C[C@H](CCNC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)[S@@](C)=O 765951189 IAPFWLVJNIHMLD-UIDXNVAMSA-N 414.553 1.778 30 10 HDEE C[C@H](OC(=O)C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H](C1)C2=O)C(=O)N(C)CCC#N 767747764 XGIFOVHUKBOKDJ-HNSVSWJLSA-N 421.494 1.752 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2cncs2)c1=O 767879672 IYPCFYHFBAPTJH-UHFFFAOYSA-N 410.524 1.692 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cncc(I)c2)n1 788819707 JDKRWURCXABTOF-UHFFFAOYSA-N 424.242 1.805 30 10 HDEE C[C@@](O)(Cn1ccccc1=O)C(=O)OCC(=O)Nc1ccccc1SCC#N 790673438 VGPJROHPVURVPO-LJQANCHMSA-N 401.444 1.397 30 10 HDEE O=C(OCC#Cc1ccccc1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 791454374 KZFODXIOGXBEKM-MJGOQNOKSA-N 403.431 1.545 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)cc1C#N 793866197 YWEIWAPSOMDIFX-MRXNPFEDSA-N 410.449 1.965 30 10 HDEE Cc1cc(C)n(N=C[C@@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)c(=O)c1C#N 794480017 AFVODWPCHWPNPY-INIZCTEOSA-N 415.494 1.934 30 10 HDEE C[C@@H](C(=O)OCc1nnc(C(=O)NCc2ccc(F)cc2)s1)n1cnc(C#N)n1 798743481 IHGIVOJBAYPDCF-JTQLQIEISA-N 415.410 1.375 30 10 HDEE C#Cc1cc(F)c(NC(=O)C(=O)NC2CCN(C(=O)CC(F)(F)F)CC2)c(F)c1 802554896 TVXNZKFZHZKTKE-UHFFFAOYSA-N 417.334 1.944 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)CCC(=O)NC 812186134 KPKPTDXKTMTCQI-HNNXBMFYSA-N 422.530 1.735 30 10 HDEE COCc1cnc(C=NNc2ncccc2S(=O)(=O)N2CCN(C)CC2)s1 814851668 XWCNBRXNVQBGES-UHFFFAOYSA-N 410.525 1.067 30 10 HDEE Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)CC2(C#N)CC2)CC1 815412142 RFVMTLBDTNVJDW-UHFFFAOYSA-N 412.490 1.623 30 10 HDEE Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1F 816697068 PZVOICSPKAHCTA-MRXNPFEDSA-N 407.423 1.655 30 10 HDEE COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c1OC 1130694509 MNMPVINAVNVPQQ-UHFFFAOYSA-N 417.443 1.926 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Br)c(F)cc3F)C[C@H]1CS(=O)(=O)C2 1134275689 MQMLSNAYHWWODY-RTHLEPHNSA-N 405.220 1.738 30 10 HDEE C#C[C@@H]1CCCCN1C(=O)C1CCN(S(=O)(=O)c2ccccc2C(=O)OC)CC1 1134718520 MUAMUBYJXRZRTQ-QGZVFWFLSA-N 418.515 1.888 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2cccc(C(N)=O)c2)s1 1142101745 JQFKWJFMWYZILP-UHFFFAOYSA-N 407.517 1.512 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1 1144551658 GICSPNSNVSSWAW-WMZOPIPTSA-N 411.499 1.566 30 10 HDEE N#CCC(=O)N1CCN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 1150000480 LJYLJYKHJMQDHR-HNNXBMFYSA-N 417.853 1.129 30 10 HDEE Cc1nc(-c2ncccn2)nc(O)c1CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1157531992 SSXDLXBYSGZCJC-GOSISDBHSA-N 416.441 1.962 30 10 HDEE N#C[C@H](C(=O)CSc1nnc(CCC(N)=O)n1C[C@H]1CCCO1)c1ccccc1 1165471052 IAWUZSAFOVCZLP-CVEARBPZSA-N 413.503 1.844 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@H]2[C@@H](C1)OCCN2Cc1ccccc1 1166601097 ONZXERCLMLSXGN-AEPNEWLMSA-N 410.474 1.015 30 10 HDEE Cc1nc(C(=O)N2CCC(n3nncc3I)CC2)ccc1C#N 1166781239 MELWWBLEVNMDMV-UHFFFAOYSA-N 422.230 1.935 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)NCC(=O)N(C)C)c(Cl)c1)C1CSC1 1215876519 QAAMQJWWRXRNOS-UHFFFAOYSA-N 408.911 1.741 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(S(=O)(=O)N(CC)CC)s2)CC1 1222521236 YACHXTXVFVVJDW-UHFFFAOYSA-N 412.581 1.675 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H](O)COc1ccccc1Br)C1CCOCC1 1253347767 IFEKCSUXEAPCPA-GDBMZVCRSA-N 411.296 1.916 30 10 HDEE CC[C@@](C)(C#N)C(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1279984710 JKDHWRBIZFTOQP-FQEVSTJZSA-N 407.515 1.743 30 10 HDEE C#CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@H](C(N)=O)C1 1286336948 REQCPAVPRLKXDV-CQSZACIVSA-N 400.508 1.385 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(S(C)(=O)=O)CCC1 1286371166 GULAGCMOVNPGEZ-UHFFFAOYSA-N 402.476 1.711 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)NC(C)C 1286371420 PYSBMZIKZJCSGA-UHFFFAOYSA-N 419.507 1.114 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCn1cc(C)cn1 1286401498 OGNDELAGXDAFGO-UHFFFAOYSA-N 422.514 1.627 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CCc1ccc(O)cc1 1286461289 QIWXTENJUYCPMV-UHFFFAOYSA-N 420.473 1.960 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2F)n1CCN1CCOC[C@@H]1C 1286464232 XGOPHYSJONMKDR-KRWDZBQOSA-N 401.486 1.891 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)cc2)CC1 1286472898 WTVGSPHHBDEQLK-QGZVFWFLSA-N 401.486 1.945 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H]1CCSC1 1286607364 GMYZFUARDPLFRZ-CABCVRRESA-N 400.570 1.715 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(NC(=O)COC)CC1 1286703992 WBYQNEIULSPVJY-UHFFFAOYSA-N 415.542 1.837 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1287137249 YFXGSXNEPDIUTR-IAGOWNOFSA-N 424.461 1.703 30 10 HDEE Cc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CC1(O)CCN(C(C)C)CC1 1290857891 DUGODUBCUZATBS-UHFFFAOYSA-N 424.553 1.415 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1300578534 LUAGOWDQNTVKGZ-OAQYLSRUSA-N 412.582 1.519 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(F)c(F)c2)CC1 1300681510 RYOIUWYXRIWVOQ-UHFFFAOYSA-N 414.460 1.596 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCCN2CCC[C@H]2CO)CC1 1300682671 INFUZNQBEUQLCC-PMACEKPBSA-N 402.587 1.784 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2Cc2nnc(C)s2)CC1 1300691264 RSFFOAWIPWSRNT-UHFFFAOYSA-N 414.926 1.957 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1300939126 PFSWKGRIWRJSNQ-UHFFFAOYSA-N 410.522 1.930 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1301239967 YTNVBROCPIAUBI-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccnc1OCCOC 1301261532 HPGZPQRHRLZVRQ-UHFFFAOYSA-N 400.483 1.605 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C)N1CCN(CC)CC1 1301313225 ZRWLEGCFMXSOTQ-FHWLQOOXSA-N 406.575 1.650 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCC(C(=O)OC)CC1 1301508783 UWVOFFFIDKJLSE-UHFFFAOYSA-N 411.506 1.755 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCN2CCCO)C1 1301552883 AHXXZBHGJHHCGP-MOPGFXCFSA-N 415.542 1.307 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 1301815331 RAVYAPUQUFGGEX-JTQLQIEISA-N 409.327 1.334 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cnn(C)c2)C[C@H]1C 1301886783 BEVDCMYBDSIEGG-QGZVFWFLSA-N 420.521 1.755 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@H]2CC=CCO2)CCOC1 1303506915 RYAOZOMYSCCCHJ-ABSDTBQOSA-N 403.483 1.393 30 10 HDEE CC(C)[C@@H]1C[C@H](N2CCCC2)CN1C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 1305207209 DKXXMZNHKYLXMP-WMZOPIPTSA-N 418.563 1.837 30 10 HDEE C#CCNC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1 1307135402 WYJSAMHHEHASBL-UHFFFAOYSA-N 406.442 1.697 30 10 HDEE C#CC1(O)CN(C(=O)N[C@@H](c2cccc(S(C)(=O)=O)c2)c2ccc(F)c(F)c2)C1 1312149153 ROPOLEFPDFFHKA-SFHVURJKSA-N 420.437 1.847 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NC[C@H]3COC4(CCOCC4)O3)C2)nc1 1312370010 CHXNVVMDSCNDGU-IRXDYDNUSA-N 401.467 1.461 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC(CN4CCNC4=O)CC3)C2=O)cc1 1312484722 AANFUCMOPOUING-LJQANCHMSA-N 424.505 1.500 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1314699923 ZLIWAUYZLSUTTL-OAHLLOKOSA-N 412.475 1.400 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)Cc1ccccn1 1315064657 ICMPBPDMWFBEKO-UHFFFAOYSA-N 411.491 1.397 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCNC(=O)c2ccccc2C(F)(F)F)CCN1C1CC1 1352305493 QBAQVSGCCFSCRH-CQSZACIVSA-N 409.412 1.817 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1358871430 FLABSGHMMXXMIB-GHMZBOCLSA-N 413.491 1.642 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)COC)c1 1358902527 QQGBRBRREUWQSU-YJBOKZPZSA-N 424.505 1.568 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1358962541 RPCHVBQSKVMZBX-IAGOWNOFSA-N 424.567 1.819 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(c2ccccc2F)C1 1358977388 LEUUOQJSEFXRDO-PKOBYXMFSA-N 420.492 1.968 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccncc1Cl 1358978137 DRPSYLMFZUPHOQ-HNNXBMFYSA-N 403.895 1.350 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCCO3)n1CCC(C)(C)O 1359021350 LUKXKBFTMWLXJE-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc([C@H](C)O)cc2)CC1 1359028586 XEMSMIXCMVJBHY-SFHVURJKSA-N 422.533 1.371 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(Cn2cncn2)CC1 1359056099 XVEZWPUZFFRYMW-INIZCTEOSA-N 414.539 1.104 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](Cn2cccn2)C1 1359125864 WGMKURAPTUFBOJ-BZSNNMDCSA-N 402.499 1.680 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359142271 DNMUKOUTDFOEKM-YOEHRIQHSA-N 418.947 1.770 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1359230969 KKNHESFCNGVVTL-NSHDSACASA-N 416.454 1.555 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1C 1359292171 JKLMMLOJTOXULB-HNNXBMFYSA-N 420.539 1.135 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC=CCC1 1359301131 SQOROZCUESRRLP-UHFFFAOYSA-N 408.510 1.521 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(C(=O)NCC)CCC2)C1 1359320212 NMVCORRDJFGZRT-CVEARBPZSA-N 416.526 1.317 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(CC)[C@@H](C)C1CCC1 1359332099 PFLYQCHFAMAFOX-GOEBONIOSA-N 409.556 1.845 30 10 HDEE CC(C)Cc1nnc(N2CC[C@H]3C[C@H]2CO3)n1CCN/C(O)=C1/N=CC=CC1=O 1359826166 OBTUAIMPNAZESP-PSEQUABUSA-N 400.483 1.371 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1)N(C)C 1360540441 COIGJMWPGONOPP-HNNXBMFYSA-N 416.551 1.780 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1437301597 MAFREULIDWFHJJ-RDTXWAMCSA-N 401.529 1.482 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1438601810 MLRSSLGFVDBQHH-UHFFFAOYSA-N 422.235 1.350 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1 1440892876 JCDBINHLXVKTDK-SFHVURJKSA-N 423.473 1.280 30 10 HDEE Cc1nn(-c2ccccc2)c(Cn2cc(CN3CCOCC3)cc(C#N)c2=O)c1C#N 1459085653 GBFSHEKAXGONMB-UHFFFAOYSA-N 414.469 1.966 30 10 HDEE Cc1c(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)sc2ccc(C#N)cc12 1462801885 CXOYZFDURNHYJN-UHFFFAOYSA-N 413.546 1.784 30 10 HDEE CC(=O)N[C@H](C(=O)Nc1nc2n(c1C#N)CCOC2)c1cccc(Br)c1 1463347421 YSEHQGXGAGVCGI-HNNXBMFYSA-N 418.251 1.863 30 10 HDEE Cc1ccc(C(F)(F)F)cc1S(=O)(=O)NCCn1cc(C#N)c(O)nc1=O 1464107950 DKFAKCKCKARTMJ-UHFFFAOYSA-N 402.354 1.126 30 10 HDEE CN(Cc1noc(C2CC2)n1)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1468979034 MVESNTWXGFGUSH-HNNXBMFYSA-N 408.418 1.682 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)nn1 1469215588 FYXUHZKYQXRFMO-UHFFFAOYSA-N 414.491 1.429 30 10 HDEE CN1C[C@H](CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1471913576 WKRSGOFTYBSUBX-KHQOZGCUSA-N 404.511 1.758 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1473680143 LGFCCHSYABYAOS-HXUWFJFHSA-N 406.490 1.591 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)c1 1474857108 WRGKZKBVLXJROH-LJQANCHMSA-N 404.463 1.923 30 10 HDEE CCCCN(C)CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1500421974 AEURPHHHLVFYRP-RXVVDRJESA-N 420.558 1.779 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2ccccc2F)CCOC1 1502727948 FCQJXERRCVOCOH-OXJNMPFZSA-N 401.442 1.846 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)Nc1ccc(F)cc1 1503669857 HLZMLZVKWRPQTK-INIZCTEOSA-N 409.425 1.790 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCN1CCSCC1 1505073440 SKEDKBWPSCXFLD-TXPKVOOTSA-N 424.546 1.493 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1Cc1ncn(C)n1 1507546450 KHAKYOAKKYHYCD-CABCVRRESA-N 414.514 1.985 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(C)C)CC1 1507564954 ZVLQBWLOBIMOCO-GOSISDBHSA-N 407.584 1.762 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507571922 RGTMZMCPYNTVLM-GOSISDBHSA-N 400.527 1.086 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1507632685 PBUPGWUVCASIJD-KGLIPLIRSA-N 402.467 1.454 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCNC(=O)c1ccccc1F 1507658850 PITSHSVWVSPQDZ-UHFFFAOYSA-N 424.480 1.448 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1507681449 YEEAPAZSHMGSFE-OAQYLSRUSA-N 416.478 1.582 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2COCCO2)CC1 1507732613 IIOXQOIBQSRTNY-GUDVDZBRSA-N 417.554 1.367 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@H](C)C1 1507771580 CJLMCLWGNCTLBA-BBTUJRGHSA-N 419.595 1.904 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCC(C(N)=O)CC1 1507803649 HZDYKKBAOCKUKZ-PXNSSMCTSA-N 410.522 1.947 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1507962245 OPMCHQCDWUZPOG-MRXNPFEDSA-N 411.510 1.823 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2COCCO2)CCO1 1521128374 CBVYSYSYDZYKOX-KGLIPLIRSA-N 405.405 1.291 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)C(=O)OCC 1535091302 ODLMRUUGQOBWCL-FOIQADDNSA-N 419.865 1.570 30 10 HDEE CC(C)[C@H](C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)S(=O)(=O)C1CCCCC1 1536179324 HLIAUDFWQYGGFR-LESCRADOSA-N 416.565 1.155 30 10 HDEE C#CCN(C(=O)[C@H](C)SCc1nc(O)c2ccccc2n1)[C@@H]1CCS(=O)(=O)C1 1537469151 KZROCTMIYILJGZ-UONOGXRCSA-N 419.528 1.606 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2Cc2cnn(CCOC)c2)CC1 1539440932 DYSFMOAHOQTOBD-UHFFFAOYSA-N 405.506 1.592 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@]2(CCCOC2)C1 1539489807 NXHFTKQUILWDBQ-FQEVSTJZSA-N 403.552 1.887 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)NC1CC1 1540063962 HIBIQAHKFIUDIK-UHFFFAOYSA-N 421.505 1.873 30 10 HDEE C[C@H]1CCc2[nH]nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)c2C1 1540647551 AHHBMNHRSGNPRV-AWEZNQCLSA-N 413.503 1.553 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1Cc2ccccc2[C@H]1C 1540862391 AOSLLDOWBBMDDV-ZIAGYGMSSA-N 418.523 1.272 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C[C@H]1CCOC1)C1CC1 1540902885 SWKKRGDXNFSZTD-SJORKVTESA-N 424.567 1.778 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1540916056 RXWMCVJAUBXTFZ-OAHLLOKOSA-N 404.540 1.938 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)N2CCOCC2)CCOC1 1541104857 BKQDSUUQDGSBFV-OPYAIIAOSA-N 420.558 1.635 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(OC[C@H]2CCCO2)c1)c1cc[nH]n1 1542341143 XJJRBTKFWFZMFR-MRXNPFEDSA-N 416.434 1.890 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](C)Oc1ccc(Cl)cc1)c1cc[nH]n1 1544603980 IGVXIKAMUTWFIK-LBPRGKRZSA-N 408.842 1.931 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cnn(C(C)C)c1I 1544791661 PBHFQFLTRRISEC-UHFFFAOYSA-N 404.208 1.597 30 10 HDEE CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1548315239 VFDVOIBLGXVOKU-UHFFFAOYSA-N 404.496 1.371 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCOC2CCOCC2)CCO1 1555993566 QEIOIEMJJZGKAQ-AEFFLSMTSA-N 405.499 1.487 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCc4c(nc(C)n4CCO)C3)cc2C1=O 1556539411 WUVZMGSWAQLIOJ-OAHLLOKOSA-N 408.458 1.253 30 10 HDEE CN1CCN(C(=O)Cn2cc(C#N)c(O)nc2=O)c2ccc(Br)cc21 1556556129 DDDOMGKJONBPDE-UHFFFAOYSA-N 404.224 1.066 30 10 HDEE COCC[C@@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1556894984 CNNARISEZVOZOM-LNWMTBOKSA-N 409.483 1.468 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCOC[C@H]2C(=O)OC(C)(C)C)c1 1557485595 GPZQLVZVVRWSTM-KRWDZBQOSA-N 407.488 1.666 30 10 HDEE N#CC1(CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CCCCC1 1557525997 CNVHVUDPMCYHAK-UHFFFAOYSA-N 404.492 1.011 30 10 HDEE C[C@@]12CN(C(=O)c3cccc(CNc4ncccc4C#N)c3)C[C@]1(C)C(=O)NC2=O 1557897268 PZRRXDVCIZIWNP-SZPZYZBQSA-N 403.442 1.690 30 10 HDEE C[C@H](Oc1cccc(Br)c1)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1558805655 SJDMGIVMVXWZNK-JTQLQIEISA-N 419.235 1.434 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc(S(=O)(=O)N(C)C)c(C)c2)c1 1563345929 GQYQLOOKXWMTSV-UHFFFAOYSA-N 414.487 1.987 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1 1570401411 HCXRWFHCMSZPAG-KRWDZBQOSA-N 416.459 1.042 30 10 HDEE COc1cc(C#N)ccc1C(=O)N1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1584769176 ROLJIBDEAIRYAB-FQEVSTJZSA-N 405.451 1.295 30 10 HDEE C=CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H](Cc1ccccc1)C(=O)OCC 1585015847 NLAZOUUSHZHTFR-GOSISDBHSA-N 413.430 1.946 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1585593165 BREJKWCTEMMIER-VQIMIIECSA-N 416.522 1.912 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccc(Cl)cc2)n1CCCNS(C)(=O)=O 1587645753 NHFVPWAFOYODNE-CQSZACIVSA-N 409.943 1.920 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588049232 CPKKOKOBYOQEFK-CVEARBPZSA-N 421.567 1.538 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1588049801 LIDUFYBPMRZVKG-MRXNPFEDSA-N 410.503 1.652 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1588084814 XDXVXPCZMZHURB-OHTSDLOESA-N 421.567 1.556 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCOCC1 1588170375 FHYPGPKOSNEDTI-WOJBJXKFSA-N 413.566 1.992 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1CCCN(C)S(=O)(=O)CC 1588229058 QGFDHJSMUFAHAZ-SFHVURJKSA-N 421.567 1.307 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(Cc2ccccc2)n1 1588314678 MYKKXLRVYGPXJK-IBGZPJMESA-N 403.490 1.982 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)NC(C)C 1588420629 IZXKJEQLULFEJZ-UHFFFAOYSA-N 410.569 1.421 30 10 HDEE C#CCN(CCOC)c1nnc(C2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1588638536 SUUCCUFKNDOXJN-UHFFFAOYSA-N 417.535 1.540 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1589042573 GVZLINPSNYOUQM-HNNXBMFYSA-N 412.519 1.534 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCNC(=O)C(C)C 1589162652 FOSSIXOETCJZIM-RTWAWAEBSA-N 403.527 1.695 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1593741033 IPHSPAOLGYJOMP-HOTGVXAUSA-N 400.487 1.255 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)C[C@H]1C 1593763202 DHSYBBLVDVWHDM-GOSISDBHSA-N 415.542 1.789 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1595602503 LLBMSVMAUSYCCE-HZPDHXFCSA-N 404.515 1.174 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1 1602839111 NKMWQJACPYCVMS-AWEZNQCLSA-N 411.480 1.432 30 10 HDEE C[C@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@@H](CC(N)=O)C2)COCCO1 1611801607 KFCHORPHLITEIS-JTSKRJEESA-N 424.505 1.714 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NC(C)C 1613555223 HGYHNABCXSZUGX-UHFFFAOYSA-N 403.531 1.851 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OCC)C(C)C 1617263635 AIHOEAUEBGOMBX-UHFFFAOYSA-N 407.536 1.505 30 10 HDEE COC[C@@H](F)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1619620439 SPQMHNMZDOUZNM-OWSLCNJRSA-N 412.469 1.957 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1625177881 XFNMYQQOXSBMPI-IRXDYDNUSA-N 403.454 1.255 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC(=O)NCC12CN(C(=O)OC(C)(C)C)C2 1625378430 KITYKSHWMQIHNK-CQSZACIVSA-N 414.462 1.273 30 10 HDEE C#CCN(C(=O)CSc1nccn1Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 1626434173 FSAHXWBTMAELQA-KRWDZBQOSA-N 403.529 1.672 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1626550012 VQMYXIYBBQDKLM-DLBZAZTESA-N 423.558 1.632 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1626962474 HXHJNGOQUAWBMS-FQEVSTJZSA-N 424.482 1.964 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC(C)(C)S(C)(=O)=O)C2)C1 1628966509 QCJYXWPZANIDGO-SHYRYGCCSA-N 413.540 1.713 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)c1ccc(S(=O)(=O)NC[C@H](C)O)cc1 1630314326 LLHRJEMPTVOCDJ-ZDUSSCGKSA-N 406.435 1.749 30 10 HDEE C#CCN(CC(=O)N1CCN(C)C[C@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1630979384 ZAXHUJCYYAXGKL-MRXNPFEDSA-N 424.542 1.524 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H]2CCCN2C=O)CC1 1633103716 DSUQHBPSLBIEPE-SJORKVTESA-N 405.296 1.779 30 10 HDEE CCOC(=O)CON=C(C(=O)NC(C)(C)c1ccc(OC)c(F)c1)c1cc[nH]n1 1633266417 JHXZKGGFUYSUIL-UHFFFAOYSA-N 406.414 1.893 30 10 HDEE Cc1nc([C@@H]2COCCN2C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)no1 1634169422 FKCZETAQEQDJNV-KRWDZBQOSA-N 407.434 1.933 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1634845455 SFUJALBZRCBOPQ-BQFCYCMXSA-N 409.527 1.990 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCN3C(=O)CCNC3=S)CC2)c(Cl)c1 1635327945 FTTVPNITCNTKLY-UHFFFAOYSA-N 405.911 1.357 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CC(=O)N3Cc3ccccc3)C2)c1 1636006968 OPAVLDZLUCIVIV-UHFFFAOYSA-N 423.494 1.225 30 10 HDEE Cc1cc(I)cc(NC(=O)CCn2cc(C#N)c(O)nc2=O)c1 1636014367 SDKNQADOVZHWLW-UHFFFAOYSA-N 424.198 1.762 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@]12CCCN(CC1)C2 1636245219 LDVIEYOFGCXTEN-UZLBHIALSA-N 404.536 1.638 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1 1640415494 GOFYBWKIYMBIRP-KRWDZBQOSA-N 414.487 1.883 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(=O)n1C1CC1 1641347208 KPQHSJQIXKLQBC-UHFFFAOYSA-N 409.446 1.000 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](CN2CCOCC2)C1 1642663382 VAFKIQYEUAEOKH-ROUUACIJSA-N 411.543 1.796 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)s2)CC1 1643372277 DLJMNVIJCAVCGL-UHFFFAOYSA-N 413.912 1.017 30 10 HDEE COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1645380940 MFIYDQFTFOFVSV-PPRBZMNOSA-N 403.357 1.103 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CC[C@@](C)(C#N)C3)CC2)cc1 1647827709 FSDLQUJOMOSLHE-XLIONFOSSA-N 404.536 1.452 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)CC1 1648152104 SLJXWHRPLVPHOL-QPPBQGQZSA-N 410.562 1.129 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC1 1650846252 OXHMZTGJBWEDTD-UHFFFAOYSA-N 407.511 1.639 30 10 HDEE COc1ccc(C[C@H](CO)CNS(=O)(=O)CC2(C#N)CC2)cc1Br 1655361230 BIROYBPAPFDTRK-ZDUSSCGKSA-N 417.325 1.832 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C1 1655527732 PZAUUNVOKATTBN-ZDUSSCGKSA-N 410.565 1.698 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc2c(c1)C[C@H](C(=O)OCC)O2 1655924177 CRKSNSGEISDGAP-QGZVFWFLSA-N 423.487 1.519 30 10 HDEE CNC(=O)c1cc(O[C@@H]2CCCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)ccn1 1670266775 BOQCKPOFXNTYNB-OAHLLOKOSA-N 418.450 1.684 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)NCc2cn(C)nc2-c2ccc(C#N)cc2)C1 1681498842 DQFQWMJMOULRIE-GOSISDBHSA-N 409.494 1.856 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CCOCC2)CC1 1689943389 RRBCMVDTFZGVOA-ICSRJNTNSA-N 417.554 1.717 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1F 1689946358 PSBQHGZAOXGLDP-ZIAGYGMSSA-N 409.487 1.564 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSC(F)(F)F 1690002138 ZVJLJFMGBGDGHB-NSHDSACASA-N 409.459 1.214 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1CC1(C(=O)NCC)CCC1 1690029621 FSTKYKAUXADUHM-UHFFFAOYSA-N 410.522 1.283 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCCNS(C)(=O)=O 1690051371 XJJUWYMQKARPJE-UHFFFAOYSA-N 405.549 1.333 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OCC)n1C[C@@]1(O)CCN(C)C1 1690085806 GNEJQDFYKOGROY-JOCHJYFZSA-N 413.522 1.782 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ncnn2C(C)(C)C)CC1 1690124454 LTTXOBSOBOQKHA-KRWDZBQOSA-N 412.542 1.670 30 10 HDEE C=C(Cl)Cn1c(N(C)CCN2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1690358691 IIXADEIFDQAEHQ-IBGZPJMESA-N 413.950 1.840 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@@H](O)C1 1690524613 OZVTVASKSRTHLI-RTBURBONSA-N 410.522 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1690726909 QENJQHIWLGZGSU-INIZCTEOSA-N 420.539 1.907 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCOC[C@H](C2CCC2)C1 1690729069 FYLRKUWPLHIFGV-QGZVFWFLSA-N 412.556 1.668 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1692659640 AXLDCMSDZHCZFE-ZBFHGGJFSA-N 405.466 1.597 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1693866557 GGESBHWFQHHNFR-GJZGRUSLSA-N 415.498 1.465 30 10 HDEE COC[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1697879878 IACHWEFYZNIVQE-QGZVFWFLSA-N 422.493 1.871 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCSC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564382 AZALBOBAVGSHHF-OAHLLOKOSA-N 420.564 1.503 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H](CC)N1CCCC1 1705621193 VLMVEDKHOWKWIL-GOSISDBHSA-N 402.543 1.475 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1705741330 MSLWBAULMJAXTQ-NXOAAHMSSA-N 422.482 1.709 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)c1ccco1)C1CC1 1705854082 IKXWRNXNJWOXBP-CQSZACIVSA-N 419.507 1.358 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F 1705904323 MGCDXZVOPFGZBP-UHFFFAOYSA-N 410.473 1.662 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1705905461 VTRSHJCEFPBBJX-UHFFFAOYSA-N 414.485 1.273 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CC[C@](C)(N2CCOCC2)C1 1705939669 JGQXOYVNSKPPHL-FQEVSTJZSA-N 422.599 1.637 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCOCCN(C)C)CCO1 1708234728 SSUSPLMYOVULON-QGZVFWFLSA-N 414.510 1.532 30 10 HDEE CCO[C@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cnnn2C)CCOC1 1710427257 AGUCVEWRFTVWTQ-OAQYLSRUSA-N 422.493 1.615 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CCO1 1711360284 FMGNWKXYXLAVGD-GOSISDBHSA-N 417.429 1.281 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cccnc2)nnc1N1CCO[C@H](C#N)C1 1712582454 MNGSGGFQDHSAPU-GOSISDBHSA-N 421.461 1.537 30 10 HDEE CS(=O)(=O)CCN(c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1)C1CC1 1712698666 UJFFJALMBDTBGK-CQSZACIVSA-N 419.507 1.698 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1cnc2c(Cl)cnn2c1 1722378277 CNZXNMUWZJVKFM-UHFFFAOYSA-N 419.880 1.690 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOCC(F)F)CC1 1722440888 LRQVUTGKDFMHJS-UHFFFAOYSA-N 421.496 1.567 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1722620711 QUUKYJLZGVHKCD-MRXNPFEDSA-N 402.503 1.442 30 10 HDEE C=CCN(c1nnc(-c2cccn2C)n1C[C@H]1CCN(S(C)(=O)=O)C1)C1CC1 1722649779 CSHGTWYRKQNSQP-HNNXBMFYSA-N 404.540 1.720 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)CC1CC(F)C1 1722697898 SQSZFCQMHLVMHF-UHFFFAOYSA-N 404.446 1.492 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc2c(c1)OCO2 1722700225 AZRGQTRUHXWBAI-UHFFFAOYSA-N 420.473 1.931 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC)C1 1722714141 LCPMJXFZCWQOGV-HNNXBMFYSA-N 410.478 1.620 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](C(F)F)C1 1722727538 JHZKIZJTPDJFBY-KBPBESRZSA-N 404.483 1.864 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1722728411 VSPCWGYJYYQZNJ-HNNXBMFYSA-N 409.512 1.177 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1nncn1C 1724000911 BCNNCNGAMKNSNJ-ZIAGYGMSSA-N 412.429 1.463 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1729125227 UFMSLURURWBYQG-HOTGVXAUSA-N 409.556 1.983 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CC2(O)CCOCC2)CCO1 1731186852 TVEHDRAVWSDFJR-INIZCTEOSA-N 414.422 1.124 30 10 HDEE N#C[C@@H]1CN(c2nnc(CC3CC3)n2CC[C@@H](C(F)F)N2CCOCC2)CCO1 1731186971 ICWBZTJNFVGRKP-CVEARBPZSA-N 410.469 1.315 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1740624334 FMOTYFXAICVXHT-AWEZNQCLSA-N 409.537 1.118 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@](C)(O)c1cccs1 1740630298 AMILXBCDKWSACO-NHCUHLMSSA-N 414.531 1.972 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)nc1 1740638344 GVDJJDXVBMJDIS-SFHVURJKSA-N 405.506 1.592 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(C)nc3ccccc23)n1Cc1nnn(C)n1 1740646731 JBFJZNNKDDAVRM-UHFFFAOYSA-N 411.473 1.836 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CC[S@@](=O)CC)CC1 1740697112 RUYFBYFUYCTVSU-NDEPHWFRSA-N 403.527 1.532 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1([S@@](C)=O)CC1 1740726347 YHTIPTABSPAGEY-YONYVYDISA-N 406.552 1.833 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(O)c1 1740941809 SYFCCOALOUAYOE-MRXNPFEDSA-N 406.508 1.573 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N(CCO)Cc1cc(OC)ccc1OC 1740946464 SLQYKDSOBBFREG-MRXNPFEDSA-N 401.467 1.431 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(CS(C)(=O)=O)CC2)C1 1740980056 HAYNUCJQWFXXSS-CVEARBPZSA-N 410.540 1.388 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C2CC2)N(C)C)C1 1740984261 YTZQGANXBZCIQW-ZWKOTPCHSA-N 402.543 1.522 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCSCC1 1740985980 ORMUTPNASJKZTE-UHFFFAOYSA-N 415.585 1.351 30 10 HDEE CC(C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1741256997 AWXVYICWLMVTID-UHFFFAOYSA-N 405.466 1.099 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1c1nnc(C(C)(C)C)n1CC1(O)CCC1 1743232778 GHRZGCMNAAIFEU-OAHLLOKOSA-N 410.526 1.867 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cc(C)cn2)CC1 1748345030 FVGPRPSELSLNIL-UHFFFAOYSA-N 420.477 1.910 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-n2ccnc2C)nc1 1748666622 DYIDFNFHDLPZHZ-WMLDXEAASA-N 404.478 1.625 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NCCC)c1 1748667370 SFYLZAUATOMJOO-CRAIPNDOSA-N 408.506 1.875 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1748801710 DVERKVFDMFEUGR-YRNRMSPPSA-N 410.584 1.999 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N(C)CCC(=O)NC 1749043599 HOGKYCXCHSCABU-UHFFFAOYSA-N 411.535 1.455 30 10 HDEE C=C(C)COCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CO)CC1 1749226497 RBYZXKFTEJDGNB-UHFFFAOYSA-N 403.483 1.807 30 10 HDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1749419230 AMPJMTVGOFPDLQ-UHFFFAOYSA-N 411.510 1.881 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CS(C)(=O)=O)c1 1749485636 VJMQCHUGQSLHHM-INIZCTEOSA-N 403.508 1.444 30 10 HDEE N#Cc1ccc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CO)CC2)o1 1750382821 LCKCQIKJQPCFAY-UHFFFAOYSA-N 407.434 1.647 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)c1ccccc1 1751094236 GNKBBRFTHSUQEO-HOCLYGCPSA-N 416.507 1.441 30 10 HDEE CC1(C)CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1751295988 LWPDDPNTPGZHJY-SJLPKXTDSA-N 424.505 1.855 30 10 HDEE Cc1nc(CCn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)sc1C 1751334774 FCHHHPTYHVLAPK-HNNXBMFYSA-N 415.523 1.445 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)CC 1760107000 JEJYEFUGTLLQRB-OAHLLOKOSA-N 412.519 1.891 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)CNC(=O)OC(C)(C)C 1760170811 AXPDNGFKGQNRSN-GFCCVEGCSA-N 412.441 1.459 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1760349899 HCJQBPOGNREZOU-UHFFFAOYSA-N 404.540 1.700 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CCO[C@@H](Cn2cccn2)C1 1760354665 JJVNLSMOGPMSLF-GOSISDBHSA-N 411.510 1.978 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](COC)C1 1760412064 HPAJRBDYYVDRLR-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS(=O)(=O)C3(CCCCC3)C2)nnc1C(C)(C)C 1760528958 RTCXHAYTWBWURU-UHFFFAOYSA-N 423.583 1.816 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCC[C@H](C(=O)NC)C1 1760552790 ATFSRRHLKXKVJY-KRWDZBQOSA-N 417.535 1.508 30 10 HDEE CC(C)C(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1760853812 ZMGVZUUUUSRKTJ-IRXDYDNUSA-N 424.461 1.703 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCNC(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1761291917 QGMAODRNTBFKRQ-HXUWFJFHSA-N 414.466 1.158 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCCO2)nnc1N(C)[C@@H](C)CC#N 1766701392 GWFZSOYNIDTIQH-JKSUJKDBSA-N 412.560 1.930 30 10 HDEE CN1C[C@](C)(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1767504588 APIADVLQMDFMIF-HRAATJIYSA-N 407.478 1.216 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1767656964 VPGCKEDLMLNUBC-HTAPYJJXSA-N 421.505 1.257 30 10 HDEE CN(Cc1cnccn1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1768706182 NZCRSLZKMAQCAV-WUKNDPDISA-N 410.482 1.528 30 10 HDEE CN1C(=O)C[C@H]2CN(c3nnc(-c4ccc(C#N)cc4)n3CCOCCCO)CC[C@H]21 1768992148 IOEJVOJUMQGAOA-RBUKOAKNSA-N 424.505 1.273 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCCC1(C)C 1769844769 DGZSCBGVHLDNBW-MGPUTAFESA-N 404.515 1.537 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cnc(C#N)nc2)CC1 1848540902 ORHUMFXRHAPMAD-SFHVURJKSA-N 420.473 1.310 30 10 HDEE C#CCS(=O)(=O)CCNC(=O)C1CCN(c2c(C#N)cnc3ccccc23)CC1 1850465205 ZORBGGYMCDCQJX-UHFFFAOYSA-N 410.499 1.487 30 10 HDEE CN1CCN(CCCNC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2[N+](=O)[O-])CC1 1851108091 LULZSRUPKFVWEC-SFHVURJKSA-N 400.483 1.189 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)O[C@@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)c1 1852449468 WYWRGHYTPALELN-YJBOKZPZSA-N 408.414 1.678 30 10 HDEE Cc1nn2c(NC(=O)c3cc4n(n3)CCC[C@@H]4N3CCOCC3)ccnc2c1C#N 1852770295 GIVXRJCGPKLWPG-INIZCTEOSA-N 406.450 1.525 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1853666457 CAUKMFZVVNZNNT-GOSISDBHSA-N 419.547 1.172 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)C[C@@H](C)N(Cc3ncno3)c3ccccc32)CC1=O 1853895021 HTKLZBKFCFMVPZ-CABCVRRESA-N 409.446 1.763 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)ccc1F 1853935349 JDBVOKUDAKFTEA-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c1 1854032721 NIHAQSRWCDPTCU-UHFFFAOYSA-N 413.455 1.169 30 10 HDEE C=CCCN1CCN(C(=O)C[C@@H]2CSc3nc4c(c(=O)n32)CCCC4)C(=O)[C@@H]1C 1854281152 GXAUTKMWCWJFSL-LSDHHAIUSA-N 416.547 1.794 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CN(c3nc4ccc(OC)cc4s3)C2)C(=O)C1 1854503010 PIAADHIPAWMBNI-UHFFFAOYSA-N 400.504 1.988 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cccc4c3OCCO4)[C@@H](C)C2=O)CC1=O 1854941115 OMBHKRJWNAWNDZ-DOTOQJQBSA-N 413.474 1.052 30 10 HDEE C[C@@H](Cn1cnc2ccccc21)C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855039453 SLAMDGMOTNVXLH-ZWKOTPCHSA-N 408.506 1.331 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC(=O)c3ccc(C)cc3C)[C@H](C)C2=O)CC1=O 1855217954 DUUQXAFFGLDSQA-QZTJIDSGSA-N 411.502 1.580 30 10 HDEE C=CCC[C@H](C)C(=O)O[C@@H]1CON(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1 1855297786 SKSMHGRXGWNVLC-STQMWFEESA-N 410.448 1.582 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCCC[C@H](N4CCC(C#N)CC4)C3=O)n2)cc1 1855598016 OIPJAUHCLPFNTH-SFHVURJKSA-N 407.478 1.728 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1C[C@@H](CN(C)CCC#N)CC1=O 1855748098 DUDCVZDYWYKTNX-OAHLLOKOSA-N 409.446 1.075 30 10 HDEE Cc1nc(C)n(CCC(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)n1 1855943305 ADQFGTKXARZJFI-HNNXBMFYSA-N 410.478 1.295 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](C3CCN(CCn4nccn4)CC3)CC2=O)cc1 1855960813 ZRCZFOYNADGUPG-FQEVSTJZSA-N 406.490 1.480 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)C4CCCC4)C(=O)C3)C2)cc1 1856099158 UXAREFWQMXXJND-FQEVSTJZSA-N 408.502 1.676 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1CCN(CCCC#N)C2(CCCCC2)C1=O 1856523235 QRTAMEQNPARLPB-UHFFFAOYSA-N 400.479 1.685 30 10 HDEE CC1(C)CC(=O)C(N2CCN(C(=O)Cc3ccc(C#N)cc3)C(=O)C2(C)C)C(=O)C1 1856593029 XINQPZXVIHRNPT-UHFFFAOYSA-N 409.486 1.877 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)[C@@H](C)n2nnc3ccccc3c2=O)C(=O)C1(C)C 1856767406 HRADEIDDDCHKLD-LSDHHAIUSA-N 410.478 1.494 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN(C[C@H]4CCCOC4)C3)CC2=O)cc1C#N 1856862856 YSORDMOQLPXWOW-NQIIRXRSSA-N 410.518 1.652 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCC(F)(F)C3)C2)CC1 1857062761 PHFRBYXCIMQTGP-KBPBESRZSA-N 403.451 1.362 30 10 HDEE C[C@@H](C(=O)N1CC[C@@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O)c1ccccc1 1857149765 MJAPYBYCLFCUEP-DNVCBOLYSA-N 404.474 1.400 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@H]2CCC(=O)N(C(=O)[C@@H]3COCCO3)C2)CC1 1857237227 WZNWZBHTHDJCDA-APWZRJJASA-N 412.490 1.313 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](C3CCN(CCN4CCCC4=O)CC3)CC2=O)ccn1 1857503663 KRZCRENQHIVANL-SFHVURJKSA-N 409.490 1.276 30 10 HDEE CN(C)c1ccc(-n2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870144241 UJSQPTPTKSJNFO-UHFFFAOYSA-N 415.413 1.440 30 10 HDEE C=CCN=c1nc(N2CCN(CC)CC2)[nH]c(=Nc2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 1871575662 LNGQLTQIZQDPQY-UHFFFAOYSA-N 418.889 1.760 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cn3cnc4ccccc43)CC2)CC1 1889463350 CYBUUVXOTNLCFV-UHFFFAOYSA-N 409.534 1.295 30 10 HDEE Cc1nc(N2CCOCC2)cc(N2CCN(C(=O)c3cc(C#N)ccc3F)CC2)n1 1890105135 NDXTWZHOMIKPNQ-UHFFFAOYSA-N 410.453 1.595 30 10 HDEE N#CCCN(CC(F)(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 2004092692 AGYVVNQHSRQORG-UHFFFAOYSA-N 403.382 1.780 30 10 HDEE O=C1c2ccccc2C(=O)N1CCCCS(=O)(=O)Nc1cccc(C#CCO)c1 2089697950 FOTVJUIHMNHZIG-UHFFFAOYSA-N 412.467 1.849 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CN(S(=O)(=O)N2CC[C@H](C#N)C2)C[C@H]1C(F)(F)F 2174782491 QWFZQNDAHVZRCX-IJLUTSLNSA-N 412.434 1.464 30 10 HDEE C[C@@H](C(=O)N(C)[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(C)(=O)=O 2186597248 LDTAALAVIXXGOD-NEPJUHHUSA-N 401.359 2.000 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2197507467 GGYPTAILOKGSBF-OAHLLOKOSA-N 400.541 1.822 30 10 HDEE Cc1cc(C#CCN)c(CNS(=O)(=O)N2CC(OCc3ccccc3)C2)s1 2237672319 ZYKNAYQIYOHGQB-UHFFFAOYSA-N 405.545 1.602 30 10 HDEE C=C(CS(=O)(=O)N(C)CCNC(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2241481265 SKHJTSVYDOLMJD-UHFFFAOYSA-N 404.338 1.960 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2243394140 CSYONLXMJPZWKZ-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2247914875 RXWPFOLKFMYYFE-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CCO1 2247933553 NMJXNNJZUPHOJL-CQSZACIVSA-N 421.303 1.985 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N[C@H]1CCC[C@H]1C#N)NC(=O)OCc1ccccc1 2258152469 DUXXMDHBKRIBMH-JYJNAYRXSA-N 409.464 1.066 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267356636 NHJMHVUPCGIOCF-JTQLQIEISA-N 407.750 1.916 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC(O)CC3)cc2Cl)OC1(C)C 2267360992 YVVPNDOXEPJVJD-UHFFFAOYSA-N 407.750 1.846 30 10 HDEE C[C@H](CC[S@@](C)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267725719 CVTRMTRYAXEPID-YDGUKXNOSA-N 407.388 1.483 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3n[nH]c(CN)n3)cc2Cl)OC1(C)C 2282315309 MFSOIUKQGFVVNZ-UHFFFAOYSA-N 419.725 1.078 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@](C)(N)C2CCC2)OC1(C)C 2282333020 JKCSHSGHNCSNQK-KRWDZBQOSA-N 400.375 1.843 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282343388 PQKCUTLNJWXPDU-CHWSQXEVSA-N 401.359 1.686 30 10 HDEE C[C@H]1CNC[C@@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282491144 KOTNLKYIUCYCDQ-FZMZJTMJSA-N 400.737 1.525 30 10 HDEE CN(CC[S@](C)=O)S(=O)(=O)c1ccc(F)cc1B1OC(C)(C)C(C)(C)O1 2282497185 MRAFLUFLQLPSQW-VWLOTQADSA-N 405.322 1.124 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)OC1(C)C 2282502148 HEPMWADDNVCOAD-TZMCWYRMSA-N 401.359 1.628 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)N2CCSCC2(C)C)n1 2282512727 VLEZGFBFPVRTNJ-UHFFFAOYSA-N 401.363 1.235 30 10 HDEE C#CCN(C)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282825589 KWGLJRDQYJCLCN-UHFFFAOYSA-N 418.777 1.544 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3CCO)s2)OC1(C)C 2282853236 AAJZEFLKJKORHY-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE CCN(C1CNC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282867199 VIJVHNNSBJYCAZ-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCC[S@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282870990 ACHIOQXPWSETTB-VWLOTQADSA-N 421.415 1.711 30 10 HDEE C[C@H](O)[C@@H]1CCN1S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282876129 YOVSNJQODDTPAT-FZMZJTMJSA-N 401.721 1.783 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2(C(=O)O)CC2)sc1B1OC(C)(C)C(C)(C)O1 2284410373 TZSNVWZPKXAANS-UHFFFAOYSA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC2CC(C(=O)O)C2)OC1(C)C 2284413835 BPJOLJTURZEYSC-UHFFFAOYSA-N 401.315 1.436 30 10 HDEE CC#CCN(CC(=O)NCCn1ncc(Br)n1)C(=O)OC(C)(C)C 2300613949 XDMPRDQUXGNYJJ-UHFFFAOYSA-N 400.277 1.417 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1N=Cc1cccn1C 2330770069 FOEDJBXICLZCHI-UHFFFAOYSA-N 417.539 1.676 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336248099 KLWJZQRQHPTROQ-KDOFPFPSSA-N 402.582 1.946 30 10 HDEE CN1CCC(C[C@@H](O)C#CC(C)(C)S(C)(=O)=O)(NC(=O)OC(C)(C)C)CC1 2365181112 UXQMKBIJQPYJRQ-HNNXBMFYSA-N 402.557 1.553 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)C(C)(C)NC(=O)OC(C)(C)C 2367818513 VUBXLBXCKDQWSC-KBXCAEBGSA-N 402.557 1.599 30 10 HDEE N#CC1CCN(S(=O)(=O)NCCC23CC(I)(C2)C3)CC1 2381430790 MBPBJAITHQFKHE-UHFFFAOYSA-N 409.293 1.804 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H](CCSC)NC(=O)c1ccccc1OC 6407788 JUFZXHGLWQPQCW-CQSZACIVSA-N 423.491 1.102 30 10 HDEE COc1ccc(OC(=O)CSc2n[nH]c(N/N=C/c3cn(C)nc3C)n2)cc1 59817808 BSUBROPCIKISAI-QGMBQPNBSA-N 401.452 1.999 30 10 HDEE N#Cc1cccnc1N1CCC(CNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 70922497 OAGDTGXTZWLNOW-UHFFFAOYSA-N 414.487 1.919 30 10 HDEE NC(=O)c1ccccc1OCC#CCNC(=O)c1cc(-c2ccc3c(c2)OCO3)n[nH]1 90743871 SKCHTVUKBIZWEY-UHFFFAOYSA-N 418.409 1.717 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)NCC#Cc2ccc(C(=O)N(C)C)cc2)cc1 96352244 HGQWYYQPLWKZMC-UHFFFAOYSA-N 400.456 1.505 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)cc1OC)[C@@H]1CCS(=O)(=O)C1 111191451 AJEWBBPONKSLGI-APWZRJJASA-N 420.531 1.490 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)NC[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1 409499016 ITEQNCHFCXVTNS-HOTGVXAUSA-N 410.540 1.846 30 10 HDEE COCCN1CCCN(S(=O)(=O)c2ccc(C#N)c(Br)c2)CC1=O 433351577 JJPMIQDVZBZLHP-UHFFFAOYSA-N 416.297 1.190 30 10 HDEE CCN(C(=O)[C@@H](C)n1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 443372174 JKRFQKCCDINIRS-CXAGYDPISA-N 401.492 1.722 30 10 HDEE CCOC(=O)c1n[nH]c(C2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)n1 444662785 JHPUJBWFINUDCU-FQEVSTJZSA-N 419.482 1.949 30 10 HDEE CCOCc1nc([C@H](C)NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)no1 460672763 DWTFYBDAQKXOFR-BBRMVZONSA-N 412.450 1.639 30 10 HDEE C=C(C)C[C@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 466431838 SHIYQQOSLNYSOA-AWEZNQCLSA-N 407.492 1.453 30 10 HDEE COCCN1CCCN(C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1=O 470419044 KXPPQCQBWMFZCX-UHFFFAOYSA-N 400.414 1.596 30 10 HDEE CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)n1 471007618 QENVCCXMXLBYKU-UHFFFAOYSA-N 418.479 1.440 30 10 HDEE Cc1cc(C)c(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)c(C)c1NS(C)(=O)=O 471926849 IOPIJQHSTHSCIX-MRXNPFEDSA-N 401.510 1.287 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCN(C4CC4)CC3)nnc12 521509646 RXLQHBODRKEWTK-UHFFFAOYSA-N 424.530 1.629 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(CCc2ccccc2)c1=O 522673375 LVTINODSOXXZKX-UHFFFAOYSA-N 418.522 1.758 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)COc2ccc(C(N)=O)cc2)cc1 523348619 AKHAPWXCDSLTRY-QGZVFWFLSA-N 410.455 1.576 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cc(CC#N)ccn2)CC1 532180201 LKKCSYHLTBYLJT-UHFFFAOYSA-N 402.480 1.527 30 10 HDEE N#CC(C(=O)C1CCC1)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@H]1CCOC1 533086013 URSAQYDELWSVSL-CQSZACIVSA-N 412.486 1.958 30 10 HDEE CN(C)S(=O)(=O)c1ccsc1C(=O)N1CCN(c2cccc(C#N)n2)CC1 546171007 APLAVATUNINNCO-UHFFFAOYSA-N 405.505 1.227 30 10 HDEE N#Cc1ccnc(C(=O)N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 549737562 OJYUTDUDMXMMSM-UHFFFAOYSA-N 414.472 1.105 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc(CN3CCOCC3)cn2)n1 558558482 XIZNRQGCYCPSPJ-UHFFFAOYSA-N 406.421 2.363 30 10 HDEE C=C(C)Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(CCC(=O)N(C)C)CC1 569990948 WDMGIEVIKOEJQV-UHFFFAOYSA-N 414.558 1.316 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3ccc(Nc4ccccn4)nn3)CC2)cc1 585486408 JYOAIJJNVUOZFR-UHFFFAOYSA-N 421.486 1.998 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nccn2CC(F)(F)F)cc1 590049445 CXQWQWQVIUGLCA-UHFFFAOYSA-N 402.398 1.840 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NCc2ccc(C#N)cc2F)cc1 591832187 UBTDDAFYUAZYNC-UHFFFAOYSA-N 403.435 1.885 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(C(C2CC2)C2CC2)c1=O 604755947 RCWUASYAHJXGCA-UHFFFAOYSA-N 408.527 1.877 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)C(=O)NCc3ccc(C#N)cc3F)cn2)C[C@@H](C)O1 609255813 MGQWCIPKZFVXEF-ZIAGYGMSSA-N 411.437 1.961 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)c(F)c1 609257170 WGHMFFXIZIVNDN-UHFFFAOYSA-N 416.434 1.492 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)/C=C\c1cccc(Br)c1 727447910 BYWJFOJCRKLNBL-MLBQELRYSA-N 418.334 1.872 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NNc2c(F)c(F)nc(F)c2F)c1 729662677 PKQIRTTWMIHPAH-UHFFFAOYSA-N 404.345 1.859 30 10 HDEE CCOCCCn1c(=C(C#N)C(=O)C(C)C)sc(=Cc2cnn3ccccc23)c1=O 729669717 ANVAHRNVNXGLRT-UHFFFAOYSA-N 424.526 1.712 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNS(=O)(=O)c1ccccc1OC(F)(F)F 731851005 CEWXHYGEKGJRFO-YPKPFQOOSA-N 405.354 1.390 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 734293275 PYCYRUSVMVCZKB-CQSZACIVSA-N 413.455 1.876 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)CC1 741210810 AXDMJMCLKKQYFQ-CVEARBPZSA-N 409.408 1.582 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1C#N 742143992 QIDFSZXJLIBDHU-UHFFFAOYSA-N 402.410 1.945 30 10 HDEE CC(C)(C)OC(=O)c1ccc(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cc1 745813381 KTECKZBANLMJGU-ZCXUNETKSA-N 414.462 1.968 30 10 HDEE COc1ccc(COC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc1OC 766280508 SVEWTOWVMUEZRJ-ZDUSSCGKSA-N 404.444 1.986 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)Nc1ccc2nc(N3CCOCC3)oc2c1 769381589 HOAYJLBUNZCVNG-HNENSFHCSA-N 411.418 1.519 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)c1 773832362 PGSHGLGCVRMZLD-CQSZACIVSA-N 400.382 1.365 30 10 HDEE C#CCn1c(=C(C#N)C(=O)CC(C)C)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781660508 JOPAJVUMZZFURI-UHFFFAOYSA-N 409.511 1.682 30 10 HDEE Cn1ncc2c(O)nc(CCC(=O)NC3CCC(Oc4ncccc4C#N)CC3)nc21 782936249 BARPEVBWXMGXEP-UHFFFAOYSA-N 421.461 1.775 30 10 HDEE CCCC(=O)C1=C(C(=O)OCC)NC(=S)N[C@@H]1c1c(Br)cnn1C 783824663 QDXDTKTUWWJSQU-NSHDSACASA-N 415.313 1.888 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2ccccc2O[C@@H](C)C#N)CC1 797386373 NORMZJXMNOROTG-HNNXBMFYSA-N 417.462 1.734 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)nc1 805071931 DASXBKWTVMPHDN-UHFFFAOYSA-N 405.379 1.725 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)CCCCCCS(N)(=O)=O)CC2)cc1 816830974 APYCHGGFOPMRLL-UHFFFAOYSA-N 406.552 1.832 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H](C)Cn1cncn1 917255874 IIZZEKNCPIEQHS-ZFWWWQNUSA-N 404.496 1.080 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1)C(=O)OC 1132422237 OYKCOAXBQROUBA-MPGHIAIKSA-N 424.519 1.722 30 10 HDEE C=CC1(CC(=O)N2CCN(CC(=O)NC(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1135776908 DXENCTRHDZVNNC-UHFFFAOYSA-N 408.543 1.468 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)[C@@H](NC(N)=O)C(C)(C)C)n1 1136554080 GNUIHZVLMMEJFQ-LLVKDONJSA-N 409.541 1.822 30 10 HDEE Cc1ccc(C(=O)NCCC(=O)N=c2cc[nH]cc2)cc1B1OC(C)(C)C(C)(C)O1 1136592996 NVZLJTYLBOTAFL-UHFFFAOYSA-N 409.295 1.870 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)Cc2cc(C(F)(F)F)cc(Cl)n2)CC1 1140132594 JPDMMSMTDCRPBV-UHFFFAOYSA-N 402.804 1.190 30 10 HDEE C#C[C@H](NC(=O)[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCC)C1CCOCC1 1148193477 BHZFINLXDGRKLE-MBSDFSHPSA-N 409.486 1.920 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCn2cc([N+](=O)[O-])cn2)C1 1150031462 XVBLPNJTTHSYCW-UHFFFAOYSA-N 419.239 1.678 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCC[C@H]4CCNC(=O)[C@@H]43)C2)C1 1153207157 CAGOPHHGDZHTRG-HNUHKEGESA-N 416.522 1.900 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2cnc(Br)cn2)c1 1157728168 BRQYYSVVDHENGI-UHFFFAOYSA-N 413.228 1.605 30 10 HDEE CC(C)OC(=O)[C@@H](NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1158940505 HZMBWHCMCPPTLY-DYVFJYSZSA-N 409.508 1.596 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC3(CCN(C)CC3)C2)s1 1162980175 VEBQVMTXNBYBRX-UHFFFAOYSA-N 413.565 1.078 30 10 HDEE COC(=O)c1cccc(Cn2cc(I)c(O)nc2=O)c1C#N 1166197502 LHOIAEKUDNGRNC-UHFFFAOYSA-N 411.155 1.260 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCO[C@@]3(CCS(=O)(=O)C3)C2)cc1 1171532866 KZRFNSZUOGNASW-XLIONFOSSA-N 405.520 1.520 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN(CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 1175503582 PEGJAUOWNYGMKC-FXAWDEMLSA-N 415.563 1.433 30 10 HDEE C=CCC1(O)CN(C(=O)CNS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 1177698400 BKUOUTVGNRYXDX-UHFFFAOYSA-N 412.817 1.787 30 10 HDEE Cc1cccc(S(=O)(=O)NCc2ccc(CN3CCS(=O)CC3)cc2)c1C#N 1193740376 HIHFGSHTOBPXDT-UHFFFAOYSA-N 417.556 1.910 30 10 HDEE C#C[C@H](NS(=O)(=O)c1cnn(C)c1I)c1ccc(F)cc1 1211945786 DGCZUSOBWVCACG-NSHDSACASA-N 419.219 1.817 30 10 HDEE CCc1nc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)co1 1251156079 GXJKHVCYKPHZBV-UHFFFAOYSA-N 403.464 1.325 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCN3C(=O)COc4ccccc43)CC2=O)cc1 1252087677 GEPIGXDQJGQIQG-KRWDZBQOSA-N 418.453 1.843 30 10 HDEE COc1ccc(NC(=O)c2cc(C#N)ccc2F)cc1S(=O)(=O)N1CCOCC1 1264095028 DBQWMTPDDOLVDA-UHFFFAOYSA-N 419.434 1.979 30 10 HDEE C#CCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCNC(=O)C1 1286338021 CGTIOCMAZMMQLA-UHFFFAOYSA-N 400.870 1.211 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)NCc1ccccc1 1286363820 ZYSSVOWYRLBJQP-JOCHJYFZSA-N 411.506 1.706 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCCO[C@H]2CCOC2)C1 1286809388 RVKZCVOCWVAKIE-SJORKVTESA-N 400.483 1.712 30 10 HDEE CCc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)cs1 1292747224 YRKVEJAGWVQMGM-SJKOYZFVSA-N 424.527 1.689 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCN[C@H](c3ccccc3Cl)C2)cc1 1296900802 AYMXIHHQNFJPGW-SFHVURJKSA-N 418.906 1.663 30 10 HDEE CCc1ccc(C#CC(=O)N(C)CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 1299863403 ITAQQRGAMTUTCU-UHFFFAOYSA-N 415.471 1.946 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1300303448 IZLBNEZNMHTJLR-IVZQSRNASA-N 424.505 1.437 30 10 HDEE C#CCCCCn1c(COCC)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1300372179 AYUPYGNTNDAIRZ-LJQANCHMSA-N 416.570 1.751 30 10 HDEE C=CCCSCCNC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1300453643 VTYSVACGXGIDDJ-AWEZNQCLSA-N 406.570 1.836 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCN(CC)C1CC1)[C@H]1CCS(=O)(=O)C1 1300487185 HOPBTLXZFVMBED-KRWDZBQOSA-N 416.551 1.384 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1ccc(CS(C)(=O)=O)cc1 1300594905 COIWXLSAFJHRPX-UHFFFAOYSA-N 414.531 1.870 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC1(S(C)(=O)=O)CC1 1300786414 GFYFRIUXUABMTR-UYAOXDASSA-N 422.551 1.500 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N2CCOCC2)CC1 1300915354 NQCRQEVSSYZDED-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE COCc1nc(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)cs1 1301210467 RVLPDFYHKFTYIY-HIFRSBDPSA-N 404.496 1.552 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)O 1301347273 SHLZAIJJBRDXSI-HNNXBMFYSA-N 407.540 1.852 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(C(N)=O)CCOCC1 1301421128 PMYQBMJSDFHZFZ-UHFFFAOYSA-N 400.483 1.261 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CCC(C)(C)O)C1 1301545962 OHZPOWAZZBYICM-SFHVURJKSA-N 424.509 1.863 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCC(O)CC2)C1 1301553090 DMGKSBMNQSQXLD-LJQANCHMSA-N 414.554 1.912 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC(C)(OC)C1 1301577591 QLUCADWTWSSJSM-UHFFFAOYSA-N 406.508 1.780 30 10 HDEE CC(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1302792083 DZJFVFIMAQOLIV-BPAFIMBUSA-N 404.490 1.904 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCCOCC3)n2CC[C@H]2COCCO2)cc1 1302994460 MLTXHXDLRGCEOL-IBGZPJMESA-N 413.478 1.761 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccccc1OC(C)C 1303410931 BVWCXZXANLSLBZ-QGZVFWFLSA-N 412.494 1.981 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(F)c1 1303835870 FUDFCJZYJRDQCG-SJCJKPOMSA-N 410.450 1.518 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCCN(C)C 1305116147 PHNQWWZASFKWBR-INIZCTEOSA-N 411.510 1.062 30 10 HDEE CO[C@@H](c1ccccc1F)[C@@H](C)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1312365567 FUSSIXOCRZSAEF-BDJLRTHQSA-N 401.398 1.302 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)C1 1314962603 SGNICSMGXFKRBM-YADHBBJMSA-N 424.505 1.585 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)CC1 1315055955 GDTZFOBRXRVPEI-GOSISDBHSA-N 407.478 1.623 30 10 HDEE CO[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)C(C)C 1315211912 UJOALFLJHURCMW-XJKSGUPXSA-N 402.455 1.406 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCCN1CCOC1=O 1316269681 LPXNANJBDRJKAE-PMPSAXMXSA-N 406.487 1.440 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(Br)cc2)C1 1343533404 CYNANTSZTLSTLC-CYBMUJFWSA-N 403.298 1.531 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@H](COC)OC 1358885882 SSNZNHDVIPKMHY-HZPDHXFCSA-N 424.505 1.794 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC(C)(C)C1 1358887560 ZDVIULGSBQKIMJ-HNNXBMFYSA-N 414.510 1.575 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@](C)(O)C2CC2)c1 1358902718 XCORTNLRHYCRKA-UZUQRXQVSA-N 423.517 1.999 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@H](OC)[C@H](OC)C1 1358927362 VUNRLEYCIJJIPY-HDICACEKSA-N 422.489 1.455 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@]1(N2CCOCC2)CCSC1 1358950786 YLFFMLWSGBZLBP-NRFANRHFSA-N 412.563 1.541 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1358956439 FXBOLLDIFYCIFI-LSDHHAIUSA-N 416.931 1.381 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1358961939 HIOOHSNPSUKSIE-SJORKVTESA-N 424.567 1.962 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1358968082 ZBMCGRLXDLWUEO-KRWDZBQOSA-N 403.508 1.079 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C(C)C)N1CCCC1 1358978729 STJSBQZKSNTOKX-MOPGFXCFSA-N 417.579 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CC(=O)NCC(F)(F)F 1358995897 KDCZSTYLBYSEAD-UHFFFAOYSA-N 424.452 1.775 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1359024643 RUMXNRASYSZDLW-HNNXBMFYSA-N 423.564 1.274 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1359035768 DCMSTGNWPBSTDA-ZCNNSNEGSA-N 416.570 1.037 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@](C)(OC)C2CC2)CC1 1359038085 KERMZVDUPCJUJY-QFIPXVFZSA-N 411.554 1.710 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1359056850 MLJVGWYTIKTTDH-RBSFLKMASA-N 400.570 1.406 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CC(F)(F)CO1 1359107736 UGFXVOOCLYLWRG-OLZOCXBDSA-N 407.487 1.715 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1359203849 XINQYNYXHQXSIK-IRXDYDNUSA-N 409.556 1.641 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)cc2)C1 1359310805 HKGDXVJMFASQPD-GOSISDBHSA-N 424.505 1.443 30 10 HDEE CS(=O)(=O)C1CCC(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CC1 1439300119 XRZMZHJQKSXGQD-PQUAAJSLSA-N 403.504 1.631 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C(F)(F)c2ccc(Br)cc2)CC1 1449065526 YURJMPLQIAUNJR-UHFFFAOYSA-N 414.250 1.435 30 10 HDEE COc1cc(OC)cc(C(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1456730957 CQBUUJZTYRXRFW-UHFFFAOYSA-N 400.460 1.534 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@@H]1C(=O)OC 1457145679 MTJJRWZLAXGUAS-KBPBESRZSA-N 403.460 1.587 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)N1CCO[C@@H](c2ccc(C#N)cc2)C1 1458020968 DQZNQFKONAZPFE-GOSISDBHSA-N 405.458 1.893 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cnn(-c3ccccc3C)c2C(F)F)CC1 1467814194 IJVXNEKJLXHWIE-UHFFFAOYSA-N 415.444 1.626 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CCC)c2ccc(F)cc2F)CC1 1469377544 LHENREDHDORTRX-KRWDZBQOSA-N 414.478 1.601 30 10 HDEE C#CCCN(CCOC)C(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1470459664 FKQNZFZHNKSJJQ-MRXNPFEDSA-N 405.499 1.962 30 10 HDEE N#CC1(c2ccccn2)CCN(C(=O)NCc2ccc(F)c(S(N)(=O)=O)c2)CC1 1470913768 KHIVOAKYJRWVHR-UHFFFAOYSA-N 417.466 1.635 30 10 HDEE CCOC(=O)[C@H](c1cccnc1)N(C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1471820459 HRNGHIBAUVUXHH-KRWDZBQOSA-N 419.434 1.894 30 10 HDEE CN(C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1O 1471920827 QLEGWFXAQBRFOB-KZNAEPCWSA-N 401.463 1.611 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1ccc(C(=O)OC)cc1Br 1475545312 VQVLLRSLLQPNCF-LBPRGKRZSA-N 404.282 1.942 30 10 HDEE C[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493953632 ZEZATSDGMGQPMY-SYWZAZHRSA-N 400.483 1.545 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@]1(C)COCCO1 1496840491 NFMDGJWWWFVWAL-MOPGFXCFSA-N 408.478 1.444 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)C(C)(C)C 1503476101 FHYNEFVGENAJQG-QGZVFWFLSA-N 423.521 1.900 30 10 HDEE Cn1cnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCO[C@H](C(F)(F)F)C2)n1 1503671339 FHQWYHKDLKKOBF-AWEZNQCLSA-N 418.383 1.761 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@H]2COCCO2)cc1 1505319966 PQQJEKPADQKTFF-RBUKOAKNSA-N 424.461 1.263 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1507675761 FNYPLVGWAPZWBI-QZTJIDSGSA-N 416.570 1.861 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nccs1 1507751107 JVNXWTVRCDNXAG-ZDUSSCGKSA-N 411.578 1.640 30 10 HDEE C=C(C)COCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1507848276 IUDAVPNOFWTTOG-LAUBAEHRSA-N 422.526 1.911 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)C(C)(C)C 1508041727 SENKGGAMQJGXDP-AWEZNQCLSA-N 413.544 1.081 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)CCN1CCOC(C)(C)C1 1508082759 XBXXKNIUWSGUSG-UHFFFAOYSA-N 413.526 1.189 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CCN2CCOC[C@H]2C1 1508142377 CPOUKULTMFNWMN-GOSISDBHSA-N 423.583 1.132 30 10 HDEE CC1(C#N)CCN(c2nnc(CNC(=O)c3cccs3)n2CC2(O)CC2)CC1 1510293678 JQVMGCCTUPICCF-UHFFFAOYSA-N 400.508 1.925 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CC2([S@@](C)=O)CCC2)CCOC1 1516127591 BDJACAYIMWXDIO-ATNQDOQJSA-N 409.556 1.827 30 10 HDEE N#Cc1ccc(N2CCN(c3nnc(C4CCC4)n3CCOCCCO)CC2)nc1 1521095572 MZJYQFBNNNGFSD-UHFFFAOYSA-N 411.510 1.538 30 10 HDEE CCS(=O)(=O)c1ccc(Br)c(C(=O)N[C@](C)(C#N)CN(C)C)c1 1525599343 KIDKCEXPPYGWIV-OAHLLOKOSA-N 402.314 1.816 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@](C)(c2ccc(F)cc2)C1=O)C1CCN(C)CC1 1536123503 NTINIWUCCYYTHQ-OAQYLSRUSA-N 400.454 1.149 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(=O)(=O)CC 1538993549 MUKBTJNRTKCGQS-CQSZACIVSA-N 419.507 1.461 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(F)(F)Br 1539265684 JGNLGPUCANWJGV-LLVKDONJSA-N 421.267 1.241 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C(N)=O)CCCC1 1539359256 AEFFOLOXZVVTOH-UHFFFAOYSA-N 419.493 1.426 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CC1CCN(C(=O)OC)CC1 1539409171 QLDKSJSOISPKBH-UHFFFAOYSA-N 413.482 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC[C@@H]2COCCO2)CC1 1539475333 BYZBKJXNUUMUFL-LJQANCHMSA-N 424.505 1.111 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCN(c2ccc(F)cn2)CC1 1539511196 ULLGFSPOAUXBSH-UHFFFAOYSA-N 424.509 1.962 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1539516859 FLOFLNZTKMHZSP-OTWHNJEPSA-N 419.595 1.695 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1539750470 AAJBGPSJJBKILP-KRWDZBQOSA-N 401.515 1.435 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(CC3CCC3)c2)nnc1C(=O)NC(C)C 1540876524 URGONEUDQGVXIX-UHFFFAOYSA-N 400.487 1.459 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1541686209 GCLDODKJNSQLGK-KRWDZBQOSA-N 423.477 1.372 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)[C@@H]1CC 1547743998 FMHMRLXMQGXLFS-KRWDZBQOSA-N 423.521 1.694 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1555991055 VQDLADNIOROQAX-SJORKVTESA-N 407.540 1.737 30 10 HDEE C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)CCn1cc(C#N)c(O)nc1=O 1556216793 FRZBTUPHQGNSDP-LRDDRELGSA-N 402.838 1.853 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1557364834 ZITMSZHJKLJKCB-INIZCTEOSA-N 408.520 1.764 30 10 HDEE C=CC[S@](=O)(=NC(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccc1 1558719195 ZOMQGLHEWQFGOP-YMGMXPECSA-N 405.520 1.407 30 10 HDEE C#CCN1CCC(NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)CC1 1561940405 MPEBRVLNJFLTCN-UHFFFAOYSA-N 403.504 1.080 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(S(=O)(=O)N(CC)CC)ccc2N(CC)CC)C1 1562145778 SUGRXUGBSKILSY-UHFFFAOYSA-N 422.551 1.775 30 10 HDEE CCc1cc(N2CCC(NC(=O)N3CCC(C#N)(C(=O)OC)CC3)CC2)ncn1 1564275101 ABQLRIAWVLCWDJ-UHFFFAOYSA-N 400.483 1.496 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCc4nnnn4CC3)CC2)c(Cl)c1 1564948058 DXYBPVLGUXIRTI-AWEZNQCLSA-N 400.874 1.435 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCN(CC(F)(F)F)C1 1588024648 IJKOQHVORPLPSW-JYJNAYRXSA-N 415.460 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCN2CCOC[C@@H]2C)CC1 1588930277 RLSKCVHFGBTFTD-KRWDZBQOSA-N 414.554 1.232 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1589059232 CQSNXRIQWWRICU-SJORKVTESA-N 422.576 1.513 30 10 HDEE C=C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1594009133 FBZVNRANUKZUHP-INIZCTEOSA-N 404.515 1.068 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N(C)C[C@H]1CCOC1 1595530256 YICOQEBXNWRBHS-QGZVFWFLSA-N 421.505 1.906 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1595601924 AKAQSSQZSDQBJE-YNEHKIRRSA-N 403.405 1.588 30 10 HDEE C=CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CCNC(=O)CC1 1595895497 LEZGMZAEZLZWRD-UHFFFAOYSA-N 411.535 1.762 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1O)C1CCN(C)CC1 1597349115 LMVXGZCBKJOZKW-UHFFFAOYSA-N 405.520 1.346 30 10 HDEE Cc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(=O)(=O)N(C)C)n1 1612196850 BWKMDDKJFUBYSI-UHFFFAOYSA-N 403.512 1.280 30 10 HDEE CN(C)S(=O)(=O)NCCNC(=O)c1ccc(Oc2ccc(CC#N)cc2)cc1 1627034055 ALIMCGDKAQENNW-UHFFFAOYSA-N 402.476 1.671 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn2cccc(Br)c12 1627068288 ZSQPVELBQKUNQK-UHFFFAOYSA-N 406.284 1.785 30 10 HDEE C=CCN1CCC(NC(=O)Cn2nc(Br)c(Br)n2)CC1 1627255190 GGFMDKRZOYMXQD-UHFFFAOYSA-N 407.110 1.570 30 10 HDEE C[Si](C)(C)c1ccc(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1627466350 PMGXTOKUZXDUSJ-UHFFFAOYSA-N 415.591 1.977 30 10 HDEE C=CC1(CC(=O)N2CCC(C(=O)NCCOC)CC2)CN(C(=O)OC(C)(C)C)C1 1629218159 HEPVOBGEMNWOHT-UHFFFAOYSA-N 409.527 1.801 30 10 HDEE N#Cc1ccncc1C(=O)N1CCN(C(=O)N2CCN(Cc3ccccc3)CC2)CC1 1630603695 HXOOHDOGSBRHDY-UHFFFAOYSA-N 418.501 1.649 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 1632036179 YMVGSWZFRJZPIQ-GOSISDBHSA-N 406.914 1.576 30 10 HDEE COC(=O)[C@@H](CC1OCCO1)NC(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C 1632791790 HZBHQDXENGMWCV-UONOGXRCSA-N 413.471 1.384 30 10 HDEE CCNC(=O)OC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1635234426 CHZJDVQLCDKYNJ-CYBMUJFWSA-N 411.455 1.864 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cn(-c3ccc(Br)cc3)nn2)CC1 1635737223 JBDAVAYUAVZFAM-UHFFFAOYSA-N 403.240 1.228 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)CCN2CC3(CCOCC3)C2)c1 1636129231 BQIWQUMPLPUHDG-UHFFFAOYSA-N 404.532 1.668 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)cc1 1636270310 CROGEODPSQYQGS-WAVCKPEOSA-N 420.473 1.267 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)OCC 1636837578 FSKSLJOLQQTJJE-ZBFHGGJFSA-N 413.515 1.666 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1 1637667787 KMDWIPCIDIWFDQ-HUUCEWRRSA-N 406.508 1.435 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCC#C[C@@H]3CCCCO3)CC2)cc1 1640380313 DPSFUGJLIYTGNZ-VIOKTNGOSA-N 411.502 1.589 30 10 HDEE N#CCCn1ncc(C(=O)NCc2cn(C3CC3)c(=O)nc2O)c1-c1ccccc1 1644548200 RFVKXKPTCAWXOH-UHFFFAOYSA-N 404.430 1.991 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1645772322 YTSYFWTXLSACEF-INIZCTEOSA-N 409.527 1.679 30 10 HDEE COC(=O)c1ccc(F)c2c1CN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)CC2 1647774699 MEJISIJFKCSQDN-FQEVSTJZSA-N 416.497 1.663 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCCSC[C@H]2c2cnn(C)c2)CC1 1648449531 LIMUVBLXFPKMJM-OALUTQOASA-N 404.584 1.592 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccccc2)c2ccccc2)CC1 1650846455 XYLWXNODCXIFCY-FQEVSTJZSA-N 413.499 1.419 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CC[C@H](Oc3ccc(F)cc3)C2)c1 1651209197 FGGRBBGNQWPAKP-KRWDZBQOSA-N 403.435 1.656 30 10 HDEE C[C@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(C#N)c(I)n1 1652061254 WREZGDKUNDJNPF-GXSJLCMTSA-N 415.235 1.764 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCOC[C@@H]2CC(N)=O)n(C2CCCCC2)c1C 1654760638 BTQALPMCEJNWSW-KRWDZBQOSA-N 401.511 1.997 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2c3ccccc3C[C@@H]2CO)CC1 1659363270 DXOIACJCGWSPDP-IRLDBZIGSA-N 408.477 1.958 30 10 HDEE C=CCn1cc(CNC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)nn1 1661290725 HOJJJMLUZGPUCP-UHFFFAOYSA-N 420.495 1.579 30 10 HDEE C=CCC[C@H](NS(=O)(=O)N=[S@](=O)(c1ccccc1)N(C)C)C(=O)OCC 1662023831 JBZVTFPAFMGQFR-ODCWNRFASA-N 403.526 1.722 30 10 HDEE C=CC[C@H]1CCN(C(=O)NCCN=c2ncnc3n(C)[nH]c(Br)c2-3)C1 1668508787 DSUAOCXPGQVLQI-NSHDSACASA-N 408.304 1.519 30 10 HDEE CN(c1ccnc(C(N)=O)c1)S(=O)(=O)c1cc(Br)c(C#N)cc1F 1668511786 CFDBYAZJDWIZTR-UHFFFAOYSA-N 413.228 1.779 30 10 HDEE CN(C)C(=O)c1ccc(OC2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1671372068 BMSJRCLAOYOTPT-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)c1cnc2[nH]cncc1-2 1671511315 XQIWDRKJYJNBBQ-UHFFFAOYSA-N 419.507 1.933 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1674419159 QLXQVUOAHRCXPN-ZDUSSCGKSA-N 401.510 1.653 30 10 HDEE COC(=O)CC(C)(C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1676096394 HMCIHJRRWYGVTR-UHFFFAOYSA-N 422.507 1.163 30 10 HDEE C=CCn1cc(CNC(=O)NCCCNS(=O)(=O)c2ccccc2Cl)nn1 1681832554 QXORJFNHOJYMJO-UHFFFAOYSA-N 412.903 1.285 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCC(C(C)(C)CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1685580772 KTFJYCOORNOAAX-LBCBGTHCSA-N 402.535 1.829 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@]1(C)C#C 1689893166 VZSIOJVYVRLUMQ-FXAWDEMLSA-N 419.551 1.407 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1689906346 LJJPLMZHIWQGMH-UHFFFAOYSA-N 414.554 1.650 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1689930463 RUKXCVYLCRXMDF-HOTGVXAUSA-N 403.512 1.027 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1Cc1ncccc1C)[C@@H]1CCS(=O)(=O)C1 1689986339 NLTGWYYJNAKDKO-QGZVFWFLSA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCCN(C(C)=O)C1 1690029439 BOAXLDWVPDBWGD-UFYCRDLUSA-N 413.522 1.333 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1690082483 CSAKUXZIVYZFLH-KRWDZBQOSA-N 402.520 1.794 30 10 HDEE C=C(C)COCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCC(=O)NC 1690305676 FQTSNXZJJZAWCZ-UHFFFAOYSA-N 415.494 1.881 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](S(C)(=O)=O)C1 1690667217 VJQYSJHJTNRDAX-ZDUSSCGKSA-N 423.926 1.524 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CC)C1 1690684567 IKWNVJJGJVYQPS-ROUUACIJSA-N 402.543 1.780 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCn2c(nc3c2CCCC3)C1 1690725354 NILJYDFFYGHBTB-UHFFFAOYSA-N 404.540 1.537 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1691480610 OPGQSGKAXARKOO-AWEZNQCLSA-N 415.498 1.906 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccccn3)n2Cc2ccc(C#N)o2)CC1 1695939000 BWCRUSSZRHUULV-UHFFFAOYSA-N 406.450 1.705 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccccc2C#N)CC1 1696589889 BTASQFZAUCOTAL-IBGZPJMESA-N 423.521 1.806 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1698489999 GQAVWYINPDCLRL-QGZVFWFLSA-N 404.540 1.182 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1N(C)CCCC1(C)C 1705477351 MRNOVXGDCGYKQL-JYJNAYRXSA-N 410.588 1.467 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1705578971 BZGBUIFFYOMXQQ-UHFFFAOYSA-N 419.489 1.601 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(CN2CCOCC2)c1 1705583065 PKFHEHSJTGRFNG-QFIPXVFZSA-N 419.529 1.735 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1705688380 QTXPPVFDLMUKKS-MLGOLLRUSA-N 412.288 1.722 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC(=O)N1 1705876828 LRVSIFUNWADGPP-CQSZACIVSA-N 400.508 1.727 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@H](C)C(C)C)CC1 1705890451 QKTONTBCYWRXDQ-WBVHZDCISA-N 423.583 1.743 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1705915608 FIVZUJLJXOSXEF-LWEYNCJUSA-N 405.543 1.638 30 10 HDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](C(=O)NC)C1 1705944817 SZZPUCSFRSVNKN-QGZVFWFLSA-N 412.519 1.687 30 10 HDEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)C(=O)OC(C)(C)C 1711213199 YVQPBQRBBNWAQE-JKSUJKDBSA-N 420.514 1.768 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCN2CCOCC2)CC1=O 1711278788 XXBURNYNOGDCIT-UHFFFAOYSA-N 423.521 1.208 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC#N)CC1 1711296886 MBWDQAGTUQRFHQ-IRXDYDNUSA-N 418.542 1.904 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1712541361 BCMKQNFTGVGYMO-MIALQEHNSA-N 407.515 1.672 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@@H]4C3)n2CCOCC(F)F)c1 1712879106 YEBNFNARAZHNLJ-MRXNPFEDSA-N 416.432 1.909 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC2(CC1)CNC(=O)C2 1722322933 PTPKZACMFVZTBT-HKUYNNGSSA-N 415.538 1.912 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1cccc(C(=O)NC)c1 1722344933 URGKFODOIJMHNB-JOCHJYFZSA-N 411.506 1.796 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1oc2ccccc2c1OC 1722345702 QZAXEAVDAOTKOY-CYBMUJFWSA-N 417.491 1.761 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1CCn1cc(C)cn1 1722401020 IOOSWCNFJRHZPZ-UHFFFAOYSA-N 421.530 1.938 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722402129 HLGZXIRRJCOPTE-IIBYNOLFSA-N 410.478 1.723 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]([C@@H]2CCOC2)C1 1722453345 RCLLUGVVTKVOKJ-IAGOWNOFSA-N 403.552 1.743 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(N(C)C)CCSC2)CC1 1722568856 CECHGRKHMZBNIJ-FQEVSTJZSA-N 404.584 1.994 30 10 HDEE C=CCCCCCN(C)c1nnc(-c2cnn(C)c2)n1CC(=O)N1CCOCC1 1722595636 SXRPVJMWGREESA-UHFFFAOYSA-N 401.515 1.720 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCNC(=O)C(C)C)C1CC1 1722650725 JKHCZVPKGMZYRK-OAHLLOKOSA-N 409.556 1.497 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCN(C)C2)C1 1722718831 VEBHWPVCTIOWMC-OXQOHEQNSA-N 418.929 1.841 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 1729741044 GPKBKPUPAHXDEE-KBPBESRZSA-N 420.564 1.696 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc(C)n1C[C@@H]1CCS(=O)(=O)C1 1730749988 GHOYVEJYBOVZEC-SFHVURJKSA-N 403.508 1.546 30 10 HDEE C#CCCCn1c(N2CCC(N(C)C(C)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1740596294 AJLLZDJCCCTSOR-OAQYLSRUSA-N 403.527 1.791 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C\c1ccccc1 1740686620 UPDAKKNSWCORAH-JNLAIUADSA-N 414.531 1.980 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1Cc1ncn(C)n1 1740687021 QGAGHJCRQIYGJB-UHFFFAOYSA-N 404.478 1.613 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 1740695329 NKRYCODYKPXOLA-UYAOXDASSA-N 411.554 1.885 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCc2oncc2C1 1740953772 QFMQTLMPACQBCN-UHFFFAOYSA-N 424.461 1.815 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cc(C)on1 1740989391 LRJNJEJBSNITCP-UHFFFAOYSA-N 404.496 1.817 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCN2CCCC2)CCOC1 1741733538 WTSBWZLIBAWJFW-NQIIRXRSSA-N 418.542 1.533 30 10 HDEE CCOCc1nnc(N2CCN(CC3CCOCC3)CC2)n1Cc1ccc(C#N)o1 1747206990 DWKPOQBYQNKXTG-UHFFFAOYSA-N 414.510 1.876 30 10 HDEE C#CCN(C(=O)[C@@H]1CCO[C@H]1C=C)C1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)CC1 1748036977 WEMDHHMBTURTPG-JBINPLMMSA-N 400.519 1.845 30 10 HDEE C#CCCCCn1c(N2C[C@H](C)O[C@H](COC)C2)nnc1[C@@]1(OCC)CCOC1 1748727250 MVWYBEACZCOSBT-BBTUJRGHSA-N 406.527 1.974 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1CCS(=O)(=O)CC1 1748770543 BBRLQQYTZLVBOU-LJQANCHMSA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1C[C@@H](OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1748808961 OSBSOKXRZYOCCB-FUHWJXTLSA-N 418.519 1.898 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN(C(C)C)C1 1748960528 KRVFDAWVVGBUOO-ZWKOTPCHSA-N 402.543 1.436 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCC1 1748965198 OPYUNWZDJROHQP-UHFFFAOYSA-N 417.535 1.317 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCOC[C@H]2CCOC2)CC1 1748992671 DWDQNERYRKHYLP-HXUWFJFHSA-N 424.549 1.462 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2C[C@@H](c2ccc(C)cc2)N2CCOCC2)CC1 1748993217 QWLFWNVJGMOSSI-QFIPXVFZSA-N 422.577 1.978 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749229718 ORIZCPWWKOTFLF-WMZOPIPTSA-N 418.542 1.805 30 10 HDEE C=CCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749420792 CRPNMCSNGBRYDQ-UHFFFAOYSA-N 411.510 1.480 30 10 HDEE COCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1749728315 GOYMXQBDEMCQCV-LJQANCHMSA-N 421.505 1.942 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1nccnc1C 1750008804 QIMXXFNGELLRFB-HOTGVXAUSA-N 401.471 1.072 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1760174412 GDOHRZAOQIBFFJ-HXUWFJFHSA-N 409.534 1.856 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CCCC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1760184415 XAUCJWVJTVCOHT-MRXNPFEDSA-N 423.583 1.869 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1 1760184430 XEPJDIOQXJXGLM-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCC(C)CC1)[C@@H]1CCS(=O)(=O)C1 1760186356 BVNISCQWWCKGRA-LJQANCHMSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1760188367 KHKKYHKYKJADSL-IAGOWNOFSA-N 416.551 1.242 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760190220 YUBXAANFEIDJMV-FUHWJXTLSA-N 418.494 1.596 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(C)cc1)N(C)C 1760202277 YPMBMYJIQRDOCF-UXHICEINSA-N 404.518 1.913 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCN(CC)C1 1760242536 HBGJGYFVLWPZBK-KRWDZBQOSA-N 411.510 1.353 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1n[nH]c(C)n1 1760244916 LJSSOQOVUQCJBG-UHFFFAOYSA-N 410.438 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H](C)N2CCCCC2)CC1 1760260122 WCAHQLDNPOIJEB-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(C)c2)CC1 1760260274 OCDNYIONSLFBDE-LJQANCHMSA-N 408.506 1.372 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCNC(=O)C2CC2)CC1 1760270176 SWOQNBUHKULADF-UHFFFAOYSA-N 412.538 1.428 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1760294714 DXONMGOJKUBVEG-SQGPQFPESA-N 405.568 1.657 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN2CCCC[C@H]2C1 1760310976 QNRNBVLCHHJYCW-HNNXBMFYSA-N 423.359 1.984 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCCOC2)C1 1760366250 UQUYLAPMSFSYKG-CZUORRHYSA-N 403.936 1.648 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1760520024 ABDIXAUSUBFKKH-MRXNPFEDSA-N 411.510 1.385 30 10 HDEE CC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(CCC#N)CCOC 1763369592 ZFKFPAYZZDPROX-IBGZPJMESA-N 404.471 1.533 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC2CC2)CCOC1 1767485421 VYCGDZFHOQTSEW-XLIONFOSSA-N 405.499 1.476 30 10 HDEE CCOCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1768065131 UPAOFPWRLOORHA-SFHVURJKSA-N 415.542 1.507 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 1771531039 ZSLGURNKAQFAPQ-INIZCTEOSA-N 416.432 1.943 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)NCC#Cc3cccnc3)C2)cc1 1850152272 DXHYHDOBOWXFFR-SFHVURJKSA-N 413.499 1.659 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(CCC#N)CC3)C2)cc1 1850474191 XMZRQLPDMVROQX-KRWDZBQOSA-N 420.535 1.154 30 10 HDEE N#Cc1cc2c(cc1CC(=O)N1CCN(c3ncnc4ncccc34)CC1)OCO2 1852309489 GTRSLSFFQPDQBE-UHFFFAOYSA-N 402.414 1.516 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1Cc1ccc(Cl)cc1 1852910411 GWHMLTMUMHQNGE-UHFFFAOYSA-N 422.880 1.912 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)[C@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1853052140 ZZHAGPWNEWEYRR-NRFANRHFSA-N 424.526 1.574 30 10 HDEE CN1C(=O)[C@H]2CN(C(=O)CCON=C(N)c3ccc(C(C)(C)C)cc3)C[C@@H]2C1=O 1853461856 GUTHWAXJFBYFFP-HOTGVXAUSA-N 400.479 1.084 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2cncc3cccnc23)C1=O 1853805127 ZADASMACBNZZLV-MSOLQXFVSA-N 407.474 1.480 30 10 HDEE C[C@H](CCC#N)N1c2ccccc2N(C(=O)C2CN(S(C)(=O)=O)C2)C(=O)C[C@H]1C 1854188385 YNDQGFQIGZQHRN-HUUCEWRRSA-N 418.519 1.728 30 10 HDEE Cc1ccc(S(=O)(=O)CCCC(=O)N2CCC[C@@H](N(C)CCC#N)C2=O)cc1 1854305916 LMHRAAWFZIATKC-GOSISDBHSA-N 405.520 1.912 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nccn3CC)C3(CCCC3)C2=O)CC1=O 1854421059 YIXIHIXBYWVYJT-QGZVFWFLSA-N 413.522 1.421 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCC(Oc4ncccn4)CC3)C2=O)cc1C#N 1854590156 RUEZTHGSONNIMT-IBGZPJMESA-N 405.458 1.941 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H]3CSc4nccc(=O)n4C3)C2)CC1 1855060655 QDQZROXTBGLVSJ-SJORKVTESA-N 416.547 1.628 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CCN(C(=O)c3cccc(Cl)n3)C2=O)CC1 1857071799 UETMKVUVCYFUKJ-MRXNPFEDSA-N 410.865 1.565 30 10 HDEE C[C@H](C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O)c1ccccc1 1857149767 MJAPYBYCLFCUEP-KXBFYZLASA-N 404.474 1.400 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3cnccc3c2)C1)[C@H]1CCN(C)C1=O 1857263421 GKBHFEBMZZBCGC-UZLBHIALSA-N 406.486 1.942 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@H](N3CCN(c4ncccn4)CC3)C2=O)cc1 1857306644 XOMCEBQKFSFZDQ-IBGZPJMESA-N 404.474 1.231 30 10 HDEE CC[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCN(c2ccccn2)CC1 1869929848 OKXVARSHRWDFIP-INIZCTEOSA-N 413.503 1.248 30 10 HDEE O=C(NCC#CCN1CCCCC1)[C@H]1SCC(=O)N(C2CC2)[C@@H]1c1cccnc1 1888989750 YNXWBBSHHDBREC-RTWAWAEBSA-N 412.559 1.835 30 10 HDEE COC[C@](C)(O)CNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@H]1c1ccc(C#N)cc1 1889369675 DLRLBTCGYOYDBL-NLWGTHIKSA-N 405.520 1.465 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C#CC(=O)O 1993924691 WSUMRXOLGUVOON-QGZVFWFLSA-N 417.506 1.995 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1C 2010381400 RGICRKIXSXSSJB-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 2054406348 UTWCDQIGYTYSAH-UHFFFAOYSA-N 407.492 1.591 30 10 HDEE Cn1nc(Br)c([C@@H](CN)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)n1 2074367966 PDYATUYVTBQKEB-WDEREUQCSA-N 414.308 1.022 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2174790155 ZJXSSXWXESICRK-MZHQLVBMSA-N 414.509 1.655 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(=NS(=O)(=O)c2ccc(F)c(C#N)c2)s[nH]1 2187515381 HVTHDSCTPNWEJZ-UHFFFAOYSA-N 413.456 1.796 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1C[C@@H]2CN(C(=O)OC(C)(C)C)[C@@H](CO)[C@H]2C1 2235560019 YXOINHALYHTEQT-WCVJEAGWSA-N 401.529 1.272 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243392055 FMJYLAAIOXJSLK-QWHCGFSZSA-N 406.292 1.494 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ccncc2B2OC(C)(C)C(C)(C)O2)C1 2247904409 ASGYQTNZFMYVSA-UHFFFAOYSA-N 419.287 1.662 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247912932 NVAOOXJJQAVRER-QWHCGFSZSA-N 420.319 1.362 30 10 HDEE C[C@@H](C(=O)NCCC#CBr)N1CCN(C(=O)OC(C)(C)C)CC1=O 2250000683 LWUYNKAZIHYZFX-LBPRGKRZSA-N 402.289 1.316 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@]12C[C@H]1CN(Cc1ccccc1)C2 2255698053 MTIUSIMFDABZTO-KSFYIVLOSA-N 423.326 1.119 30 10 HDEE C=CCCC1(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2280945606 YHAVKWDHNKNFDL-CQSZACIVSA-N 401.529 1.469 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2282029504 SVBIQEZRCRYGFS-NEPJUHHUSA-N 400.331 1.138 30 10 HDEE C[S@](=O)C1(CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCC1 2282330363 YQFNVBVFQXMSMB-VWLOTQADSA-N 419.399 1.627 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCCCCC2CNC2)OC1(C)C 2282333784 SQIUMXZFMOTGEY-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE CN(C)[C@H]1CCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335265 NFEMJVNXUMMFBJ-KBPBESRZSA-N 400.375 1.808 30 10 HDEE CN1CCC[C@@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338442 NEBPWOMSSMSRJN-CYBMUJFWSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCC[C@H]3O)s2)OC1(C)C 2282340308 DNKRPBPNTCMYQW-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE C[C@H](N)[C@@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282342807 MLFIFRLBXBOMHJ-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CN(C[C@@H]1CCC[C@H]1O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282344427 LCIWEIAMIFIZJQ-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE CSC(C)(C)CN(C)S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282508632 ZBFDTNOBLURNET-UHFFFAOYSA-N 403.379 1.481 30 10 HDEE C=C(CS(=O)(=O)N[C@](CC)(C(=O)O)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2284403942 UNXWYPZZJBTMFI-CYBMUJFWSA-N 401.212 1.889 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCC[C@H]3CC(=O)O)c2)OC1(C)C 2284406579 ZWKPBWCXRZPCGP-LBPRGKRZSA-N 401.315 1.675 30 10 HDEE CN([C@H]1CNCC1(C)C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2289913730 MHGXZHLMQIBPSD-LBPRGKRZSA-N 400.375 1.666 30 10 HDEE CCCSC[C@H](NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2362509265 RIMWNOCUXKIZQX-NSHDSACASA-N 400.331 1.769 30 10 HDEE CC(C)(C)OC(=O)NCCC[C@@](C)(C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365255894 ZZNAUOFJRLLSGU-SFHVURJKSA-N 405.513 1.978 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)COCC1(C)C 2367789557 RUFSVANQQCMTPA-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367831782 UNXOGFNUQCSNMS-ILXRZTDVSA-N 400.541 1.291 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CN(C(=O)OC(C)(C)C)C[C@@H]1C 2375784409 JODLCFWGJUDFJG-IYOUNJFTSA-N 402.513 1.372 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCC(=O)NC(=O)Nc3ccccc3)cc2C1=O 16984299 QOTCCQVNDWOFHZ-UHFFFAOYSA-N 407.382 1.974 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 63876498 QPSXAQJIKMHIGZ-UHFFFAOYSA-N 418.544 1.924 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c(C#N)c(C)n1 301798421 UQVJFIZPBVWZSM-UHFFFAOYSA-N 412.475 1.251 30 10 HDEE COC(=O)[C@H](C)NC(=O)c1ccc(F)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427302078 MRPXYMQARSOUGJ-NSHDSACASA-N 420.422 1.493 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)N(CCC#N)c1ccccc1 441190603 STZDCXLJTYKBGW-DBDQLMEASA-N 413.474 1.747 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)CC1 443334208 RXBYIXZNWCXOFD-UHFFFAOYSA-N 419.507 1.251 30 10 HDEE COC(=O)COc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460768941 MXUTYJLNCKGDEK-UHFFFAOYSA-N 413.415 1.492 30 10 HDEE COc1cc(CNC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)ccc1C#N 464698673 FPJNYYBYPDBDSN-UHFFFAOYSA-N 412.471 1.778 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2cc(N3CCNC(=O)C3)ccn2)n1 469819984 XNMXSBWZYDRWPD-UHFFFAOYSA-N 421.848 1.981 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@](C)(O)CC)nnc12 478541863 XCZWFZKYJOQYOS-LJQANCHMSA-N 401.492 1.600 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@@H](Cc2cccnc2)NC(=O)c2ccccc2)C1 479873149 JVRMIEAJNWJNQY-TZIWHRDSSA-N 405.502 1.774 30 10 HDEE Cc1cc(C(=O)N2CCOCC2)ccc1N(C)S(=O)(=O)c1cnc(C)c(C#N)c1 489525642 SMZDGPHPPNIHER-UHFFFAOYSA-N 414.487 1.868 30 10 HDEE Cc1ncc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)cc1C#N 489678602 KMBJBNBCMYSPNE-UHFFFAOYSA-N 420.925 1.233 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1 502370026 AAXYOEOJSWXWOJ-UHFFFAOYSA-N 414.491 1.028 30 10 HDEE CC(C)CN(C(=O)CN1CCN(c2ccccc2C#N)CC1)[C@H]1CCS(=O)(=O)C1 507308500 ZOSSFHVEKBZODS-IBGZPJMESA-N 418.563 1.352 30 10 HDEE N#Cc1ccc(OC2CCN(CC(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)cc1 507787096 MSERZTYQMTUMLC-UHFFFAOYSA-N 422.485 1.979 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N3CCC(C)(C#N)CC3)cc2)CC1 507811683 JMXSKLZHIXWIMN-UHFFFAOYSA-N 418.519 1.305 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1 523347531 PKDJESNVIUNSLT-SFHVURJKSA-N 406.486 1.786 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 537894995 ROAXAOZDYFEQPP-OXQOHEQNSA-N 404.511 1.401 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCCNc1ccccc1F 541487800 HYBCDRNPITUSRV-AWEZNQCLSA-N 404.467 1.983 30 10 HDEE Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 544207263 YTEZIZDTKOKZFD-CYBMUJFWSA-N 401.492 1.535 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)N3CCN(c4cnccc4C#N)CC3)CC(=O)N2C)cc1 553696809 LDBGQFSUZMAPGU-KNQAVFIVSA-N 419.485 1.830 30 10 HDEE C=C(C)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@H](C(N)=O)C1 558996696 PIMLCHFHQOCNQD-CYBMUJFWSA-N 409.288 1.313 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)cc3)CC2)cc1C#N 565810893 VWYNEGOKZNWREA-UHFFFAOYSA-N 400.460 1.466 30 10 HDEE COc1cc(CNC(=O)c2ccc(S(=O)(=O)CC(=O)N(C)C)cc2)ccc1C#N 569515125 GLQAJKDNPDSBMO-UHFFFAOYSA-N 415.471 1.359 30 10 HDEE Cc1cc(C(=O)N2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)c(C)o1 586860507 HZXJZHWDUCTINP-UHFFFAOYSA-N 412.421 1.508 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cccc(OC)c2)c(=O)n1-c1ccccc1C#N 604000902 GTKIQPKGNJKKCR-UHFFFAOYSA-N 416.462 1.028 30 10 HDEE CO[C@@](C)(C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)c1ccccc1 609296087 FUPYQPCMYQQDSP-OAQYLSRUSA-N 413.499 1.953 30 10 HDEE COc1ccccc1C(=O)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 611080568 YDDUNZUWOFAQLW-UHFFFAOYSA-N 413.499 1.799 30 10 HDEE C#C[C@@]1(O)CCN(S(=O)(=O)c2ccc(Br)cc2Br)C1 708200433 LINFCQCRJNEJSJ-GFCCVEGCSA-N 409.099 1.970 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(-c3ccc(F)cc3)c2)c(=O)n1C[C@@H]1CCCO1 728557951 VMMJFPUANAZJKQ-SFHVURJKSA-N 421.457 1.440 30 10 HDEE CCCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C(N)=O)cc1 730144509 OCHNGKNDODPXNM-INIZCTEOSA-N 419.551 1.585 30 10 HDEE O=C(COc1ccccc1OCC(F)(F)F)NCCN/C(O)=C1\N=CC=CC1=O 732153343 HDGCOEZIDCMDKK-WUKNDPDISA-N 413.352 1.649 30 10 HDEE CN(C(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H]1CCN(c2ccccc2F)C1=O 732891415 HSCPSVDBNIAPBB-HEWTWTGNSA-N 415.425 1.099 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 734273096 LVONZFOUWPDICC-KRWDZBQOSA-N 423.558 1.405 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NS(=O)(=O)c1ccc(S(C)(=O)=O)cc1 734972898 QNUVQDHLBRYHAE-LBPRGKRZSA-N 408.457 1.234 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 742407151 AJHYAOOIBPYDCG-IBGZPJMESA-N 420.922 1.715 30 10 HDEE Cn1cc(/C=C\C(=O)N[C@@H](C#N)c2cccc(Br)c2)c(=O)n(C)c1=O 749374581 XWNJKKNITLAQCE-AFNCTOJWSA-N 403.236 1.241 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCc1cnn(-c2ccccc2)n1 766288389 CPLBUDIRKJJIMO-AWEZNQCLSA-N 411.443 1.549 30 10 HDEE CSCCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cncs2)c1=O 767884866 NSMLBRBNEIMAFF-UHFFFAOYSA-N 405.570 1.992 30 10 HDEE C#CCN(C(=O)N[C@@H](CC)c1ccccc1OCC(=O)NC)[C@H]1CCS(=O)(=O)C1 774179426 OGLDLYGBMNBQSU-RDJZCZTQSA-N 421.519 1.094 30 10 HDEE Cc1cc(C)cc(-n2nc(NC(=O)C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc2C)c1 777247969 ITEXNMSEPVDURX-IBGZPJMESA-N 406.490 1.935 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@@H](Oc3ccncc3)C2)ccc1F 788831186 CBSWMZMKFODGQW-MRXNPFEDSA-N 405.451 1.979 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CC(=O)NC3CC3)CC2)CCCN1C(=O)OC(C)(C)C 790197740 PMSVFFDWPBGMPS-QFIPXVFZSA-N 420.554 1.755 30 10 HDEE C=CC[C@]1(C(=O)OCc2cc(=O)n(C)c(=O)n2C)CCCN1C(=O)OC(C)(C)C 791719679 YTJDAURVJIETIE-HXUWFJFHSA-N 407.467 1.473 30 10 HDEE COCC1(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CCN(C(=O)OC(C)(C)C)CC1 793489117 UWBLCNKPDLPFIK-KRWDZBQOSA-N 406.527 1.849 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCCNS(=O)(=O)c2ccc(F)cc2Cl)cc1 801516307 BKZXLSVHSHWTAV-INIZCTEOSA-N 411.842 1.479 30 10 HDEE C#CCN1CCN(C(=O)CN[C@H]2CCN(C(C)C)[C@H]2c2ccc(F)c(F)c2)CC1 801958442 GOAPYEYDUGUNED-UNMCSNQZSA-N 404.505 1.856 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCC(C(N)=O)CC1 809895991 CBDPJKDXLYKRJD-HNNXBMFYSA-N 420.514 1.474 30 10 HDEE C#CCCS(=O)(=O)NC(=O)[C@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 810785049 VQULCOVDDIZIFD-HNNXBMFYSA-N 405.303 1.836 30 10 HDEE Nn1c(NN=Cc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1nccs1 1084505336 VNZLLTOGSVWVOY-UHFFFAOYSA-N 419.452 1.533 30 10 HDEE COc1cc(C=NNc2nc(S[C@@H](C)C(=O)N(C)C)n[nH]2)c([N+](=O)[O-])cc1O 1084519288 UNJIABZVSWRWRT-QMMMGPOBSA-N 409.428 1.442 30 10 HDEE N#CC1(NC(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCCC1 1087090692 PBYGGZZVZMWGEE-UHFFFAOYSA-N 404.536 1.726 30 10 HDEE COC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)CCC(=O)N(CCC#N)c1ccccc1 1132307754 SQASENDFBZHBAF-UWJYYQICSA-N 401.463 1.892 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2nc(C3CCOCC3)n[nH]2)CC1 1135762564 MUHUPFWKSZHNCY-GOSISDBHSA-N 412.469 1.789 30 10 HDEE Cc1nc2n(n1)C[C@H](NC(=O)C1CC3(C1)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC2 1143591597 JXWRAMJDLIJWMM-FMPZLKCCSA-N 414.510 1.804 30 10 HDEE CN(C)C(=O)N(C)[C@H]1CCN(C(=O)COc2ccc(C#N)c(Br)c2)C1 1149111983 WWSKSUNNPDCTPY-ZDUSSCGKSA-N 409.284 1.914 30 10 HDEE CCc1noc([C@@H]2CC[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c3cccc(C#N)c3)C2)n1 1158159283 ZWKVSLFDJUQSAI-NWANDNLSSA-N 417.491 1.623 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc2cccnc2c1O 1162606994 DNIBKNSHTZHIRZ-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE CCCN(C(=O)[C@H](C)N(C)C[C@H](O)c1cccc(C#N)c1)[C@H]1CCS(=O)(=O)C1 1171791782 PCWFAFSSZXJWQN-SNRMKQJTSA-N 407.536 1.338 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(C3CC3)nc3c2c(O)nc(=O)n3CC(C)C)C1 1177759416 OZPIEDMZFUWFMI-INIZCTEOSA-N 423.517 1.858 30 10 HDEE C#CCOCCC(=O)N1CCN([C@@](C)(CO)c2ccc(Br)cc2)CC1 1179939066 ZKRORUIGHRFIMF-IBGZPJMESA-N 409.324 1.841 30 10 HDEE CC(=O)c1cn(C2CN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)nn1 1180301442 NAPLBJOSFVHBNC-OAHLLOKOSA-N 404.471 1.841 30 10 HDEE N#Cc1ccc([C@@H](C(N)=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1198532475 AILBHAVRFYSMKK-IJEWVQPXSA-N 401.410 1.526 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)C1 1248676778 ROWYUMTYRDHPSV-JKSUJKDBSA-N 402.461 1.916 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)N1CCN([C@@]2(C(=O)OC)CCOC2)CC1 1251830661 KNKCMHMQPFMHGV-UGKGYDQZSA-N 401.507 1.833 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCc1cnn(C)n1 1286291955 ZRWFQUDRTARZDY-AWEZNQCLSA-N 417.477 1.813 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1286430372 HGIKQIHBDZILBO-MSOLQXFVSA-N 416.547 1.460 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCN2CCN(CC)CC2)CC1 1286472455 UCYPTIIOPVMSBC-FQEVSTJZSA-N 401.603 1.574 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CC2(O)CCOCC2)CC1 1286481567 FPOWZGQRAHFDOE-UHFFFAOYSA-N 401.536 1.227 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286593443 LDHQFTLAIDCELN-HNNXBMFYSA-N 400.443 1.752 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC1CC1)C1CCC1 1286814506 TVNCEEFVVAXBMQ-UHFFFAOYSA-N 421.567 1.884 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCC(=O)NC1CC1 1288124099 BHXDYIOQFXAQIV-HXUWFJFHSA-N 401.515 1.605 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1294226659 GCXRRJTZPQNUHW-SWLSCSKDSA-N 402.838 1.217 30 10 HDEE CCn1cnnc1Cn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1295968445 HIPXFEHAIYKHFI-MOPGFXCFSA-N 418.477 1.420 30 10 HDEE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1300002663 ZNYNWOMQDPEPSS-GOEBONIOSA-N 411.455 1.242 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnc(O)n3C3CC3)C2)C1 1300071580 CKHYQMJSRFQQGE-BTTAGBNVSA-N 416.482 1.722 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCOC[C@H]1CCCO1 1300268635 UKYIVNACTVOCOE-IAGOWNOFSA-N 412.494 1.969 30 10 HDEE C#CCCCn1c(CC(C)C)nnc1N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 1300411395 HUUXAJTVJGGPLO-GOSISDBHSA-N 423.583 1.521 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCOC[C@H]2C)CC1 1300731500 QKXAXKPSQNXULJ-AEFFLSMTSA-N 403.527 1.453 30 10 HDEE C=C(Br)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC)[C@@H](C)C1 1300856313 AMQQYRGVGJLSIG-AWEZNQCLSA-N 411.348 1.840 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300957498 WSUQNXXHWYBZBI-INIZCTEOSA-N 407.482 1.372 30 10 HDEE C=C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=O)N2CCOCC2)CC1 1301066499 QWAGQYRINBRTDH-NRFANRHFSA-N 419.526 1.334 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1301084144 SBYONJJVPAHLKZ-RYQLBKOJSA-N 419.457 1.563 30 10 HDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@H](C(N)=O)C1 1301194882 QOYBAHJZQIDXJZ-AWEZNQCLSA-N 402.524 1.938 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1301611944 IVZPYQYMDOBUSP-DLBZAZTESA-N 421.567 1.529 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)Nc3cc(N4CCN(C)CC4)ccn3)CC2)o1 1302316287 DLOXEDZTGBIEHZ-UHFFFAOYSA-N 409.494 1.857 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2ccc(O)cc2)C1 1302978202 HILHDLQROIFQAW-KXBFYZLASA-N 419.482 1.570 30 10 HDEE N#Cc1c[nH]c(C(=O)N2CCNC(=O)[C@H]2c2ccc(I)cc2)c1 1304363577 GQHWHFASUDQWNQ-CQSZACIVSA-N 420.210 1.804 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC[C@H]3CC[C@@H](C4OCCO4)O3)C2=O)cc1 1306824913 VZHZKHWVIUMQNA-QYZOEREBSA-N 413.474 1.871 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CCO)[C@@H](CO)C2)n(Cc2ccco2)c1C 1308162943 JCUHXMMAIUNUGX-IAGOWNOFSA-N 400.479 1.479 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H]1CS(=O)(=O)NC)c1ccc(Br)cc1 1312936129 GAECRMZHXRTIRM-HUUCEWRRSA-N 414.325 1.847 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)C1 1316532864 XEPLEZSHEKVLBF-GOSISDBHSA-N 402.384 1.881 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@H](C)C(=O)NCCCC)CC1 1324408570 VJVYTLMUFWBQMZ-RTJUMIHMSA-N 401.551 1.641 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@H]2CC[C@@H](OC)C2)C1=O 1326177799 QXLFVBPFZOBYRF-ZNMIVQPWSA-N 404.492 1.421 30 10 HDEE N#C[C@@]1(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC12CCCC2 1353829842 PWHFRXGXIBTYPS-OAQYLSRUSA-N 409.446 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCCO2 1358871783 KMFFGMIPNBQYMN-KGLIPLIRSA-N 419.507 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1358887455 XQLRCOOPIVCBRS-JZXOWHBKSA-N 423.521 1.356 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCC[C@@H](COC)C1 1358905154 TYVGBHKYHRKANO-IAGOWNOFSA-N 411.572 1.945 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@@H]32)nnc1[C@@]1(OCC)CCOC1 1358935948 XYDFOSAQMUCUGC-LLGFUMIMSA-N 401.511 1.591 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CC1(CS(C)(=O)=O)CC1 1358974836 TZWVMVDGZGXOLY-UHFFFAOYSA-N 400.479 1.982 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1359286743 PFNMARKTPKKWJV-KGLIPLIRSA-N 406.487 1.145 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](OCCOC)C1 1359299900 PKUWTMZIQDPLBM-DLBZAZTESA-N 407.515 1.454 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCOC[C@H]2C)CCOC1 1360347390 HLHCLUKZJTWMLS-NEYJZJCJSA-N 419.526 1.720 30 10 HDEE C#Cc1cncc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)c1 1436061704 ZDIBGPCTUYMIBX-HXUWFJFHSA-N 400.456 1.675 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)Nc1ccn(CCC#N)n1 1444473630 AVSSMVDGBGKOPQ-MRXNPFEDSA-N 406.487 1.791 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1447365043 SCBUHSVMHSZJPA-MRXNPFEDSA-N 407.341 1.943 30 10 HDEE COC(=O)CN(C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1CCCCC1 1453052531 FNGPSDALXOODHH-UHFFFAOYSA-N 407.492 1.450 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2[C@H](C(=O)OC)[C@@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)C1 1455706728 VJKJFVYLTISLNS-KFGODFMUSA-N 419.522 1.387 30 10 HDEE COc1ncc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1C#N 1462896437 VXJUIDGATIFYDX-UHFFFAOYSA-N 422.488 1.225 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@]2(C#N)C[C@H]3CC[C@H]2C3)c1 1464911801 ZRTBNWSHRQBDOS-MNUAXYBXSA-N 404.492 1.368 30 10 HDEE O=C(N[C@@H]1CCCN(O)C1=O)c1cc(Br)nn1-c1ncccc1Cl 1468452524 HLLFYCLCQAKLPC-SECBINFHSA-N 414.647 1.793 30 10 HDEE COC(=O)c1ccc(CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)s1 1469193457 FFLDQGSERVMUAP-NSHDSACASA-N 407.473 1.390 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C(C)C 1469560190 HAGXZRRJINHTBS-WMLDXEAASA-N 409.508 1.708 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1470865297 UKOGSFAKTRDLGZ-UHFFFAOYSA-N 417.363 1.481 30 10 HDEE CC#CC[C@H](CO)NC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322283 CQTNOVXKQDFDFC-SJORKVTESA-N 409.527 1.866 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2CCOC)C1 1471336644 LQMZEILXDBSITB-QZTJIDSGSA-N 408.543 1.751 30 10 HDEE CCCc1c(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cnn1-c1cccc(F)c1 1472371327 QUPBFUBQHLZGRS-UHFFFAOYSA-N 422.420 1.795 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1503942869 FQOJAJKONMIHRV-UWWQBHOKSA-N 410.478 1.478 30 10 HDEE COC1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)CC1 1504469851 ISICBGRDWGSYFA-ORBLRFAASA-N 409.556 1.981 30 10 HDEE COCCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@H]2C1 1504788633 GOOHQQRNBPIULV-SFHVURJKSA-N 409.494 1.847 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C[C@@H]1O 1505268597 WPASUTDNAHVJGI-DOMZBBRYSA-N 404.421 1.405 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC(C)(C)C(=O)NC 1507542491 QLQFPPJDLXEVAA-CYBMUJFWSA-N 402.524 1.500 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507558261 DYPVKZSOXDXYOZ-UHFFFAOYSA-N 417.539 1.399 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1507581339 QPTBIGCASDVMAC-YLJYHZDGSA-N 409.538 1.675 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1507628485 HTNBBWNQOTXPPH-LJQANCHMSA-N 424.530 1.777 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ncnn1C(C)(C)C 1507637433 PMDCBRPESORPAI-UHFFFAOYSA-N 417.477 1.393 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@@H](O)C1 1507711080 ZWBSGBWFYSWUDZ-JKSUJKDBSA-N 415.494 1.643 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2COCCO2)CC1 1507742181 CDQLTOCRKHNFQM-KRWDZBQOSA-N 403.527 1.248 30 10 HDEE C#CCSCCn1c(Cc2ccsc2)nnc1N1CCN(CCOC)C(=O)C1 1507755159 KLJJBLGUJZPGCX-UHFFFAOYSA-N 419.576 1.592 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1507835946 RPTSJXWPYKUWOK-UHFFFAOYSA-N 404.559 1.739 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507930859 JVCVTCNAEBMJCC-MRXNPFEDSA-N 412.498 1.508 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCCOC 1508078400 AFAKYYORCZPVES-UHFFFAOYSA-N 401.467 1.491 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1Cc2ccccc2C1 1508142857 VMLKZDGOILGOHP-MRXNPFEDSA-N 401.492 1.350 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@]2(C)CN(C)C2=O)CCOC1 1509788696 MFRCPVSDRRXHAO-CWFSZBLJSA-N 404.515 1.535 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC(=O)NC1CCCCC1 1519166309 UTILAYGHZIIPDL-QGZVFWFLSA-N 418.542 1.987 30 10 HDEE CS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519522551 CLUGMUUIIABMSG-UHFFFAOYSA-N 416.507 1.515 30 10 HDEE C=CCn1cc(CNC(=O)c2cccnc2S[C@@H](C)C(=O)N2CCCC2)nn1 1529544772 YRWPSUMGXGJOMG-AWEZNQCLSA-N 400.508 1.892 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)CN1C(=O)N[C@](C)(c2ccc(F)c(Cl)c2)C1=O 1531928336 QHLZWAYKAYIYHE-ZWKOTPCHSA-N 409.849 1.206 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 1535722835 ZNBHTMFTGFNRFL-IAGOWNOFSA-N 403.504 1.456 30 10 HDEE Cc1ccc(CNC(=O)c2sccc2S(=O)(=O)N2CCOCC2)cc1C#N 1537721816 KKJHDNXBQNGBEC-UHFFFAOYSA-N 405.501 1.879 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN3CCSC[C@H]23)ccc1F 1537950507 XJDMGQPUQRHLJZ-HZPDHXFCSA-N 413.540 1.600 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1nncn1CC 1538982273 CPJWAJXYNRJDBZ-CQSZACIVSA-N 413.507 1.466 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCCN1CCC[C@H]1CO 1539165553 DVFCDGNPUJGMBI-SFHVURJKSA-N 411.506 1.980 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCn1ccnn1)[C@H]1CCS(=O)(=O)C1 1539219915 OMKPNIWCEJGXMM-INIZCTEOSA-N 419.555 1.175 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@H]3CCOC34CCOCC4)C2=O)cc1 1539316258 DACMFTKMPXPWBQ-SJORKVTESA-N 412.446 1.218 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1539382439 IYIQQTZRGISELW-UHFFFAOYSA-N 423.477 1.536 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2CC2(N(C)C)CCOCC2)CC1 1539446277 AVIURCLYMBOUFJ-IBGZPJMESA-N 416.570 1.038 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)nn1 1539738282 CSXDHDRXWXVCNB-GFCCVEGCSA-N 403.414 1.927 30 10 HDEE C=C(C)COCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OCC)CCOC1 1539758935 CIRBHYDWBMPGSD-JXFKEZNVSA-N 407.515 1.238 30 10 HDEE CC[C@@H]1CN(CC)CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1540123740 DZGJHROMNBZBEH-LJQANCHMSA-N 418.563 1.902 30 10 HDEE C=CCNC(=O)Cn1c(N2CCOC(C)(C)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1540876168 JFFMZLZCNYKLCB-HRAATJIYSA-N 421.542 1.625 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccs2)C1 1540885013 ZWIABAURTFRXHQ-KGLIPLIRSA-N 411.553 1.779 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCSCC1 1540899818 BBVSYYXJJNCTOC-UHFFFAOYSA-N 403.533 1.971 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCOC2(CCCC2)C1 1540905586 TXOWDPOTWHPLSQ-MRXNPFEDSA-N 410.540 1.532 30 10 HDEE Cc1nnc(N2CCC[C@H](c3ccnn3C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1543264707 OFLHALLIKGFEHR-MJWGMMHASA-N 410.482 1.230 30 10 HDEE C=CCNc1ncc(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)s1 1543822128 TVNZBBGFTAVOFW-UHFFFAOYSA-N 421.504 1.114 30 10 HDEE C#CCOc1cc(F)ccc1NC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1545086313 JTJRTKRSLANVAY-QGZVFWFLSA-N 415.396 1.518 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C[C@@H]1CCOC1)c1ccccc1)c1cc[nH]n1 1545853349 KLVGYPKERMSVHC-MAUKXSAKSA-N 414.462 1.978 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CCS(C)(=O)=O)cn1 1547619054 HLRSWNJABNKQNF-UHFFFAOYSA-N 413.507 1.562 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C 1554381576 DBBOAGWATCDGGM-LBPRGKRZSA-N 410.507 1.843 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C(C)C 1557252061 GIFAACQUHFNRPA-RHSMWYFYSA-N 409.508 1.708 30 10 HDEE Cc1nnc(CN(C)C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)s1 1557629220 BTZNXVKZSKXSAX-CQSZACIVSA-N 421.548 1.958 30 10 HDEE CN(C)C(=O)O[C@H]1CCCN(CC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1559847881 CTSZHGUHNOHEJS-DLBZAZTESA-N 419.551 1.620 30 10 HDEE N#CC1(C[C@H](O)CN2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)CCOCC1 1560230143 OTYDJVGXTNHJRT-OFQRWUPVSA-N 410.458 1.499 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1561869214 ZKEGCHFRLHBCLU-INIZCTEOSA-N 416.565 1.775 30 10 HDEE O=C(CCOc1cccc(I)c1)N[C@H]1CCCN(O)C1=O 1569676628 WRHVLLKWSFDQNL-LBPRGKRZSA-N 404.204 1.557 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC(S(C)(=O)=O)CC1 1587783510 RSWYRUUTKNFETE-UHFFFAOYSA-N 418.567 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1588241439 PZLJSXYDOLTEPG-UHFFFAOYSA-N 406.490 1.009 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C2CC2)N(C)C)CC1 1588791521 XXTLDUDKCZPSFN-NRFANRHFSA-N 403.534 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588968352 JEEQVNKLHADFKC-MSOLQXFVSA-N 417.554 1.986 30 10 HDEE C=C1CCN(c2nnc(-c3nn(CC)c(=O)c4ccccc34)n2CC(=O)N(C)C)CC1 1594083463 NPUROVAXGZVQPN-UHFFFAOYSA-N 421.505 1.920 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(OC)CCOC2)CC1 1594193957 UBRLRUDSJWRNMC-KSSFIOAISA-N 413.544 1.096 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCc1ccccc1N1CCOCC1 1596092460 BVGVVZHHBALWOM-GOSISDBHSA-N 420.517 1.855 30 10 HDEE N#Cc1ccc(CC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)cn1 1596260197 YNZCOWNJYUDUND-IBGZPJMESA-N 408.458 1.486 30 10 HDEE CC(=O)NCCCn1c(COc2cc(C)ccc2C)nnc1N1CCO[C@H](C#N)C1 1596752146 PFNAWIUKJSVCQN-GOSISDBHSA-N 412.494 1.729 30 10 HDEE C=CC[C@@H](CO)CNC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1598058373 SCRHFJGMBUFRQD-CYBMUJFWSA-N 408.296 1.821 30 10 HDEE Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1607488351 HIYMUWUHTFJENB-UHFFFAOYSA-N 424.848 1.724 30 10 HDEE Cc1ccoc1C(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)CC#N 1611815621 JGMRIAOQGGRHDI-LSDHHAIUSA-N 413.482 1.689 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](c3nnc(S)n3C)C2)c1 1616741834 KQNMNISUBDXQPB-HNNXBMFYSA-N 418.544 1.921 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1618125798 BGHHHHAQBDFGCA-CQSZACIVSA-N 404.421 1.671 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1618502365 JJUKXJCDCOPVRI-QFIPXVFZSA-N 421.505 1.305 30 10 HDEE COc1ccc(-n2cc(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)nn2)cc1 1618732666 VXLPMONJCUWAAI-LJQANCHMSA-N 416.441 1.678 30 10 HDEE COC[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CCC2)CCO1 1619754085 HUMFFRCCLBGZME-SFHVURJKSA-N 413.478 1.495 30 10 HDEE COCCOc1ncccc1Cn1c([C@H]2CCCO2)nnc1N1CCO[C@@H](C#N)C1 1620042379 IOISWULGHOLRMH-DLBZAZTESA-N 414.466 1.327 30 10 HDEE COCCOCCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1620081496 FNKXLASCNKYMME-MOPGFXCFSA-N 411.478 1.424 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCSCCCO)C[C@H]1OC 1620145425 SJEUQQXLGACZRW-HDICACEKSA-N 417.535 1.782 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCN2CCCS2(=O)=O)CC1 1620352960 CGFDICNXJJLPAN-INIZCTEOSA-N 408.528 1.295 30 10 HDEE C[C@@]1(C#N)CN(CCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCO1 1620622815 CHOZVEOPYQDWDI-LJQANCHMSA-N 406.508 1.414 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 1622067642 USLHXCHTZOICCX-UHFFFAOYSA-N 419.381 1.764 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](O)[C@](O)(c2ccccc2)C(F)(F)F)CC1 1623669258 LTKNOPZXTAAOGS-QFBILLFUSA-N 420.391 1.413 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCC(=O)Nc2ncc[nH]2)C1 1629375719 VEZGJVWKGHZUMR-UHFFFAOYSA-N 417.267 1.625 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NC[C@@H](O)COc1ccccc1Br 1629782898 DWWCDZSRNQIBCC-GFCCVEGCSA-N 406.236 1.900 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCC[C@@H](S(=O)(=O)N4CCOCC4)C3)ccc12 1631396866 BYDCTLSLXIPTHE-MRXNPFEDSA-N 402.476 1.306 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(NC(=O)OC)cc2Cl)CC1 1632623660 HLXIMJGNGWFAQI-UHFFFAOYSA-N 406.870 1.416 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)C1 1632797661 UZCSAFNWWFDIPR-BEFAXECRSA-N 400.479 1.206 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCO2)c1 1633293866 BMNAYMLXYXGWJL-OALUTQOASA-N 404.426 1.599 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 1634099720 JNAPLAWGSDHVSC-INIZCTEOSA-N 411.414 1.246 30 10 HDEE C=CCOC[C@@H](NC(=O)c1nccnc1C(=O)NCc1ccc(F)cc1)C(=O)OC 1635159037 RBHGKGFKQXQIIG-OAHLLOKOSA-N 416.409 1.020 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(c3cc(-c4ccncc4)[nH]n3)CC2)C1=O 1635477706 WMNSMMBDZATTST-UHFFFAOYSA-N 422.445 1.155 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCCCO[C@H]1CCCCO1 1635817610 YMRFZRFVFZFZQO-SFHVURJKSA-N 409.508 1.555 30 10 HDEE CC[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)NC(=O)OC(C)(C)C 1641098961 AXGDNYRGNNKZTB-ZFWWWQNUSA-N 424.523 1.645 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)c(=O)nc1O 1641639932 LWYFYWCYSAGWOE-KRWDZBQOSA-N 409.446 1.553 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@@H]3CN(C(=O)OC(C)(C)C)CC[C@H]32)CC1 1644249773 FBXGNOCMZHUHLG-RTBURBONSA-N 404.555 1.485 30 10 HDEE C[C@H](CC(=O)NC[C@H]1CCN(CC(F)F)C1)/N=C1/NS(=O)(=O)c2ccccc21 1644357635 COEFJNZTTVCZKZ-CHWSQXEVSA-N 414.478 1.207 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1noc(-c2ccco2)n1 1645310890 MULGTNUTMBLMTQ-UHFFFAOYSA-N 415.431 1.465 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 1645792993 ZTXGZSXVHSGVPE-KUDFPVQQSA-N 418.563 1.694 30 10 HDEE CN(C[C@@H](O)CN(C)[C@H]1CCN(c2sccc2C#N)C1=O)C(=O)OC(C)(C)C 1648041034 IEYYYAGUKZPACJ-GJZGRUSLSA-N 408.524 1.885 30 10 HDEE O=C(CNC(=O)c1ccccc1OC(F)F)NC[C@@H](O)C(F)(F)C(F)(F)F 1650955202 RUIHKXIGXAZURD-SECBINFHSA-N 406.254 1.693 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ncc(Br)cn2)cc1 1653301186 RZPBSAOHWVTBJJ-UHFFFAOYSA-N 409.265 1.342 30 10 HDEE CC(C)(CNC(=O)OC(C)(C)C)CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1653763685 YRSCKXKUHIFSKR-UHFFFAOYSA-N 405.455 1.145 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCO[C@@](C)(C#N)C1 1654932739 OCTODXBLEFTKJY-UZLBHIALSA-N 420.535 1.803 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1ccccc1 1660229557 HAIBMFAQKHZDKM-KNQAVFIVSA-N 400.523 1.747 30 10 HDEE C#CCn1ccc(CN(CC)S(=O)(=O)c2cc3c(cc2OC)CCCNC3=O)n1 1661771305 XOAWJZHKFVSQCK-UHFFFAOYSA-N 416.503 1.412 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 1662073246 YWLYLWHMTVRMNA-SJORKVTESA-N 400.522 1.483 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCC)cc2F)nn1 1663990988 UYMJCIWCCRHFIN-UHFFFAOYSA-N 417.488 1.233 30 10 HDEE C=CCc1cc(CNC(=O)N(C)Cc2nnc3c(=O)[nH]ccn23)cc(OC)c1OC 1667711170 KBAWANMBXVLLBK-UHFFFAOYSA-N 412.450 1.505 30 10 HDEE CN(C[C@@H](O)CN1CCOCC1)C(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1667890707 COEWHYIGCQEKEF-GOSISDBHSA-N 411.462 1.902 30 10 HDEE COC(=O)[C@H](c1cccc(Cl)c1)N1CCN(C(=O)NCC#CCN(C)C)CC1 1676930824 WIYQYSJZPBOZTO-SFHVURJKSA-N 406.914 1.446 30 10 HDEE C=CCc1cc(CNC(=O)NC[C@@]23COCCN2C(=O)OC3)cc(OC)c1OC 1677641694 QMUFGEPWWVAVML-FQEVSTJZSA-N 405.451 1.453 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H]2[C@@H]1CCN2C(=O)OC(C)(C)C 1680684753 HAJQKBUDJPZJKU-GJZGRUSLSA-N 401.529 1.771 30 10 HDEE C#CCOc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)cc1 1682559856 HWTPSDVZAAHTOK-GOSISDBHSA-N 423.469 1.822 30 10 HDEE N#Cc1ccc(CCNC(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)cc1 1683981293 IEZZYMKBPYYSOU-UHFFFAOYSA-N 422.514 1.698 30 10 HDEE N#CCc1ccc(CNC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 1686889757 GEMXAPNDTODNJN-UHFFFAOYSA-N 412.515 1.987 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1689930033 JRRZQRGJCQGVOL-GOSISDBHSA-N 408.506 1.621 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=C)C)[C@@H]1CCS(=O)(=O)C1 1689982242 JYYPKHSDLGBJHJ-YLJYHZDGSA-N 422.551 1.522 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCc1cccc(C(=O)NC)c1 1690046125 XVMLAOFDIXMJBH-LJQANCHMSA-N 418.501 1.294 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(C)CN(C)C2=O)CC1 1690132020 DJRMHDPPABKHOR-QHCPKHFHSA-N 422.533 1.399 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCOCC1 1690518453 KFQLSBBYNJLZPF-UHFFFAOYSA-N 419.551 1.693 30 10 HDEE C=CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1690536241 RPADPZAOJBFOFJ-YJBOKZPZSA-N 401.515 1.991 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)CCOC 1690720511 LAHKCBWKUZRFLF-UHFFFAOYSA-N 422.507 1.400 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1C[C@@H]1OCCC1(C)C 1692788076 SKUZYTBDTASUEX-HOCLYGCPSA-N 424.571 1.833 30 10 HDEE COc1ccccc1OCc1nnc(N2CCO[C@@H](C#N)C2)n1CCCn1cccn1 1697617867 GXDGHDNPMHJZCG-KRWDZBQOSA-N 423.477 1.881 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCC(F)F)C[C@@H]1O 1698440641 KEULBSVJMQQVPP-DOMZBBRYSA-N 404.421 1.405 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2COCCO2)C1 1698482616 FTSSOZTUWCWPON-LIRRHRJNSA-N 415.429 1.173 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2OC)n1CCC[C@@H]1NC(=O)NC1=O 1705673973 UMHFJYMVVQDFRE-KSFYIVLOSA-N 422.489 1.934 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1705704277 RVGULOAZJKJJAL-LDBYXDLTSA-N 413.526 1.622 30 10 HDEE C=C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1705769700 AZCKVTKGSVVJTE-HXUWFJFHSA-N 420.510 1.714 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CCOC2)C1 1705825356 RGZKAZSNKQXWDP-YJBOKZPZSA-N 413.544 1.098 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@@H](C)CC(N)=O 1705890907 OVPIPEPRUCIDOP-UONOGXRCSA-N 408.503 1.473 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC[C@@H](C(N)=O)C1 1705903670 PTBBJQHRVGAXOZ-LLVKDONJSA-N 406.849 1.351 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccccc2C1 1705936868 ZXWOKVZGWBUUDF-GOSISDBHSA-N 402.520 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(Nc2ccn(C)n2)nnc1[C@@]1(OCC)CCOC1 1705939070 RCUZGPXWQSVOTH-QGZVFWFLSA-N 410.500 1.008 30 10 HDEE CC(C)Cc1nnc(N2CCC(CO)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1706399470 HZHLAQCAOFSYIK-HNENSFHCSA-N 402.499 1.212 30 10 HDEE C[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1706798347 BXKXUTDRRIOOCS-SJLPKXTDSA-N 410.526 1.325 30 10 HDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)c1 1707707342 GEUCRUPIEHMIIY-OAQYLSRUSA-N 404.478 1.724 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1C[C@]1(N(C)C)CCSC1 1712458944 CPDHBINOMCRQBT-VQIMIIECSA-N 408.572 1.933 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CCN2CCSCC2)CCO1 1712884052 FPAAZIJVKAXRBX-SFHVURJKSA-N 416.526 1.786 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1Cc1ccc(C(N)=O)nc1 1722288090 VUSLBCBXBSDGNM-CQSZACIVSA-N 418.457 1.716 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2ccc(C(N)=O)nc2)c1 1722306460 AGWFUUNZSDNMCA-UHFFFAOYSA-N 417.473 1.439 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1722342246 VGGKFENHDOVEAL-BBWFWOEESA-N 410.540 1.429 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCNC(=O)OC(C)(C)C)CC1 1722438569 ZIRGGWCHCPKXCS-QGZVFWFLSA-N 418.542 1.452 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCCC(=O)N(C)C)CC1 1722448305 XTKJHPFGYKRFDZ-UHFFFAOYSA-N 416.570 1.701 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722457995 AZUFARSCJZLMJH-HNNXBMFYSA-N 416.551 1.044 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCS1 1722682239 YNWWFKUICDYXBI-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1730769509 BYWXCEKIZRBVDX-KURKYZTESA-N 415.519 1.570 30 10 HDEE CS(=O)(=O)CCOCCn1c(CC2CCCC2)nnc1N1CC[C@@](F)(C#N)C1 1731008367 NHXDRSDZJZAMJZ-GOSISDBHSA-N 413.519 1.514 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCCCN1CCC[C@@H]1CO 1740556915 GQPBDHMFBQPIFS-ZWKOTPCHSA-N 402.543 1.095 30 10 HDEE C#CCN(CC)c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)c1ccccc1 1740672565 LGXXBQFBZLBPNU-UHFFFAOYSA-N 424.530 1.702 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1Cc1cc(C)on1 1740687201 VHBFZRFXAMSQNM-UHFFFAOYSA-N 405.462 1.947 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(N(C)C)nc2)CC1 1740697803 GWFMFWYLQDXMAB-UHFFFAOYSA-N 416.533 1.528 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCC(OCC(N)=O)CC1 1740760309 HXKIQONDJMVYMA-LPHOPBHVSA-N 403.527 1.998 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1CCN1CCOCC1(C)C 1740776412 PLSJVPBGKWKJLZ-UHFFFAOYSA-N 404.559 1.914 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740948584 PSTPVGUJZHAAEM-ZDUSSCGKSA-N 415.479 1.725 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N(C)[C@@H]1CCOC1 1740964233 LKQCQJUXGABZQT-OAHLLOKOSA-N 401.467 1.393 30 10 HDEE CCC(CC)c1cc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)on1 1744003321 DSVFWXKDUKPUMI-HZPDHXFCSA-N 413.482 1.898 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cs1 1748375121 AJVYRNUNOKNGBO-XBFCOCLRSA-N 417.495 1.170 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1748804789 LGIARLHYKMROSI-INIZCTEOSA-N 404.492 1.279 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1nccc(C(F)F)n1)[C@H]1CCS(=O)(=O)C1 1748817811 QWHTZORQKWSNNB-LBPRGKRZSA-N 410.450 1.243 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@](C)(O)C1CC1 1748831242 HZBWRMSCVYTSPO-NRFANRHFSA-N 412.515 1.582 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)cc1OC 1748847284 QTWBBDVKUAHORL-GOSISDBHSA-N 412.515 1.618 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H]2CCSC2)CC1 1749009629 UHYLADAJRMEDCP-OAHLLOKOSA-N 413.551 1.398 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCS(=O)(=O)CC=C 1749051992 UOXYTQPTVHQIKZ-HXUWFJFHSA-N 421.567 1.789 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@H](C)NS(C)(=O)=O 1749140543 QMWFURISRQVILB-YDHLFZDLSA-N 409.516 1.347 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(Cc2ccsc2)nnc1N1CCO[C@@H](C#N)C1 1749234336 DRGYDHIAJLOJJP-YESZJQIVSA-N 403.508 1.711 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCNC(=O)C(C)C 1749489523 XTBMRJFFFNZLHD-UHFFFAOYSA-N 412.542 1.847 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1cccc(C#N)c1 1749650436 XFVIMZONMITMTM-UHFFFAOYSA-N 407.478 1.324 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(C)=O)CC1 1749676393 OZHNUVOQPCGQND-UHFFFAOYSA-N 417.539 1.041 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](NC(C)=O)C1 1750104130 GAUQNYDAIHNHMI-IBGZPJMESA-N 412.494 1.585 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1760239193 ZJNCLTNPGLDRJR-UFYCRDLUSA-N 419.570 1.818 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760243177 WTUZFLOFVUKDAF-OAHLLOKOSA-N 417.476 1.925 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CC=CCO2)CC1 1760256441 GYRIGFIMIQJXLZ-UGKGYDQZSA-N 415.538 1.419 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1 1760272157 ANKQNYPKQQSTRK-HNNXBMFYSA-N 416.507 1.143 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1C[C@H]1CCS(=O)(=O)C1 1760288724 IXAKDLBTSNYXJM-GPMSIDNRSA-N 410.540 1.429 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCc2cc(F)ccc2C1 1760527393 VHXBNDIYGASGHT-UHFFFAOYSA-N 412.469 1.405 30 10 HDEE CC[C@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1)N1CCCC1 1764290294 XORRFEFVFFNPJM-MANSERQUSA-N 418.542 1.605 30 10 HDEE CCOCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1766353970 DXMQHWDSIRAYOK-CQSZACIVSA-N 422.511 1.093 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CC=CCO1 1767943005 VPBWBWJBMFYRIK-GOSISDBHSA-N 409.494 1.753 30 10 HDEE CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)c1ccco1 1768471131 HKYXQEGLEHFCGS-BRWVUGGUSA-N 400.483 1.797 30 10 HDEE COc1ncccc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1769014288 HWXSZDIXMZGFOZ-UHFFFAOYSA-N 403.446 1.595 30 10 HDEE COC[C@H](Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1)OC 1769248587 KWRYHICGSKJIPJ-SFHVURJKSA-N 411.510 1.800 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCN1CCC(C)CC1 1770051954 RALDTMCBNHLVCA-QZTJIDSGSA-N 406.531 1.463 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NCC3CCN(c4ncccc4C#N)CC3)CC2=O)cn1 1850763735 XWFOILRGEVZEGG-QGZVFWFLSA-N 407.478 1.072 30 10 HDEE CC(=O)N1CCN(CC(=O)N(C(=S)N=CN(C)C)c2c(C)cccc2C)CC1 1851192454 VXIGJTWLUXWVCP-UHFFFAOYSA-N 403.552 1.675 30 10 HDEE C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851733730 BSHIKUOPZTZOJR-MRXNPFEDSA-N 424.457 1.815 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)c2cccc(C#N)c2)C(=O)C1 1853845165 PDLHARVUQJQEJI-UHFFFAOYSA-N 413.455 1.549 30 10 HDEE Cn1nc2ccccc2c1C(=O)N1CCN(CC(=O)c2ccc(C#N)cc2)CC1=O 1853869094 UKMJSZAUXKTTBW-UHFFFAOYSA-N 401.426 1.612 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)[C@H]4CCCOC4)C(=O)C3)C2)c(F)c1 1854195241 CCRGNMIOJNBPHD-RBUKOAKNSA-N 414.481 1.369 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)c2ccccc2F)C1=O 1854263373 SUAZUKUPLPSDQY-GOSISDBHSA-N 408.437 1.439 30 10 HDEE CC(C)(C)N1C[C@@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)CC1=O 1854336454 ACBBSWLHBIVJMP-INIZCTEOSA-N 400.454 1.515 30 10 HDEE N#Cc1ccc(C(=O)N2C[C@H](CN3CCC[C@H](Cn4nccn4)C3)CCC2=O)cc1 1854691734 UTNSYZSUNCYEAQ-OALUTQOASA-N 406.490 1.941 30 10 HDEE CC1(C)CC[C@H](N2CC[C@H](N3CCN(C(=O)c4cccc(C#N)c4)C(=O)C3)C2)C1=O 1854958993 KAIFECPYPWGZOB-OALUTQOASA-N 408.502 1.675 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CSc4ncc(C)c(=O)n4C3)C2)CC1 1855015664 KGBBQRFGVSNKCZ-DLBZAZTESA-N 416.547 1.547 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2=O)CC1 1855062817 DVMWNHNJRUWPON-GOSISDBHSA-N 409.490 1.273 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCCN(C(=O)C4CC4)C3=O)CC2)CC1 1855770040 MIUWXSKGCYTGPE-IBGZPJMESA-N 400.523 1.778 30 10 HDEE Cc1ccc(OCC(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)nn1 1855943862 IDEMMDBQDDQCID-INIZCTEOSA-N 409.446 1.174 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)CCc1ccccc1 1856335336 YBZOYFFYZZRHKF-HNNXBMFYSA-N 412.471 1.199 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)CC#N)C(=O)C23CCCC3)cc1C 1856374736 YCRLDBRPCSLDBX-UHFFFAOYSA-N 419.503 1.980 30 10 HDEE CC(C)c1cc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)no1 1856381265 NRGARWLPEBZCRO-CQSZACIVSA-N 409.446 1.817 30 10 HDEE CN(C)C(=O)[C@]1(F)CCN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1856694786 LRLVFCMDZXJBKS-JXFKEZNVSA-N 420.872 1.649 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)CCn3c(C)cc(C)nc3=O)C2)CC1 1857234429 BHHYUHGNZVVCBU-IBGZPJMESA-N 400.523 1.913 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)CCc2ccc(C#N)cc2)C1)[C@@H]1CCN(C)C1=O 1857239502 CDAXACKQJSEDJZ-WOJBJXKFSA-N 408.502 1.585 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(F)cc1)NC(=O)CN1C(=O)c2ccccc2C1=O 1861521755 LAMPFPHPDXDPOV-GOSISDBHSA-N 409.417 1.451 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)NC[C@@H](C)O)=C(N)Oc2c1c(C)nn2CC 1864319200 PBVALXDVEPCBPJ-ACJLOTCBSA-N 412.490 1.968 30 10 HDEE CCOCCCNC(=O)c1nonc1OCC(=O)Nc1sc2c(c1C#N)CCC2 1872707254 JRRZBXXFROEQQX-UHFFFAOYSA-N 419.463 1.665 30 10 HDEE C=CCn1c(C(=O)N(C)CCO)cc2c(N3CCC4(CC3)OCCO4)ncnc21 1873561458 ZPZAWKYIQAQWDE-UHFFFAOYSA-N 401.467 1.025 30 10 HDEE COc1cccc(/C=N/n2c(SCCO)nnc2[C@H]2CC(=O)N(C(C)C)C2)c1 1874342110 ZQCQHGFQUPVZLJ-BBJIBYMTSA-N 403.508 1.978 30 10 HDEE CN1CCN(CC#CCOC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1889552135 JDRCFOGRPWZBTH-UHFFFAOYSA-N 405.564 1.248 30 10 HDEE CCCn1nc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCN3C)cc2)ccc1=O 2040797706 VPMVENCHXGSJMS-UHFFFAOYSA-N 417.491 1.718 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@@H]2CCOC[C@@H]2NC(=O)OCc2ccccc2)s1 2054405948 QHSNBVDNXZADBJ-CVEARBPZSA-N 421.500 1.982 30 10 HDEE N#Cc1ccc(C[S@](=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 2074698612 ITTPOTOEHBVDFR-YMGMXPECSA-N 401.444 1.972 30 10 HDEE CN(Cc1cnnn1C)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Br 2116142453 MTZMXMYDLNXGLD-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1CCO[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 2174789308 PDYBLKIXGUMSQB-QAPCUYQASA-N 401.529 1.824 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]([S@@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2192573633 SJGPSSMUIFQHQG-MIBVRESMSA-N 420.557 1.478 30 10 HDEE CS[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1ccc(N)cc1C#N 2205584814 JVJKROZKESYPAZ-KGLIPLIRSA-N 412.537 1.770 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221671260 BSFFFBNACRWEEE-LSDHHAIUSA-N 411.296 1.995 30 10 HDEE CC1(C)OB(c2nc(NC(=O)[C@H]3CCS(=O)(=O)C3)ccc2Cl)OC1(C)C 2241217177 ODSVQZVVHUQLPR-JTQLQIEISA-N 400.693 1.407 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC(NC(=O)C(F)(F)F)C1 2243383666 ARODVPALZHHGTC-UHFFFAOYSA-N 419.234 1.254 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(O)C[C@H](C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243674337 ICFSOMPNFYZWOD-OYOVHJISSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2247831516 ZYMMRTUBFHKPEN-STQMWFEESA-N 423.319 1.307 30 10 HDEE Cc1nc(C(=O)N(C)CCCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282140952 BYNYUOLMDNBFBC-UHFFFAOYSA-N 402.347 1.257 30 10 HDEE CCNC(=O)C(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282341149 OIYWEJRJHGVDTI-UHFFFAOYSA-N 402.347 1.240 30 10 HDEE CNCC[C@H](C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282491660 OKKOCLUTTHUNCA-LBPRGKRZSA-N 403.379 1.202 30 10 HDEE C[C@H]1C[C@]1(F)CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494201 ZOSAFBISLPPRLH-ZBEGNZNMSA-N 404.338 1.952 30 10 HDEE CCN(C)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282829280 CHCNYWOAIRYZDS-UHFFFAOYSA-N 400.375 1.680 30 10 HDEE CNC(=O)C(C)(C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282829515 FWYMCJOTIUBAHY-UHFFFAOYSA-N 402.347 1.159 30 10 HDEE CO[C@@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)CSC 2282836030 DQKQQGRZWJZHDJ-NSHDSACASA-N 422.403 1.240 30 10 HDEE C=CC[C@@H](CO)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837052 AWFMFKAXLFRZRN-GFCCVEGCSA-N 402.347 1.046 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CC[C@](C)(O)C2)OC1(C)C 2282838408 ODVWTPLSEXULOH-GUYCJALGSA-N 401.359 1.770 30 10 HDEE CN1CC[C@@H](CN(C)S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282855914 KYSXSSCJHOAGBS-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCCNC3)c2)OC1(C)C 2282858500 XZYSPWBJZKMJPK-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CN([C@@H]1CCCNC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869854 JGZXFFHMVNQGOP-CQSZACIVSA-N 400.375 1.561 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871549 IXQAFJSUMBQYQP-STQMWFEESA-N 400.375 1.822 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H]2CCC[C@H](CO)C2)OC1(C)C 2282877912 YNPLANUYZXECHS-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)C=CC(=O)O 2284405232 IEOGTQRHANJECL-JTQLQIEISA-N 401.315 1.663 30 10 HDEE CC(C)C1(C#N)CCN(C(=O)[C@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2360553266 NAZWJSHNRCSIRF-AWEZNQCLSA-N 401.529 1.713 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COC[C@@H]1NC(=O)OC(C)(C)C 2365212825 UBBPGAVIEFQWKK-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CC[C@@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)[C@@H](C)NC(=O)OC(C)(C)C 2365242321 YIWNTSIWWOCSMQ-ACJLOTCBSA-N 405.513 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](OC[C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367797159 TZTONZPQCILNJP-CVEARBPZSA-N 401.525 1.734 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367798115 YCDJPVXITHZJCG-ARFHVFGLSA-N 400.541 1.747 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@H](C)C1 2367820514 VTWOYPBHLCJTHX-CLCXKQKWSA-N 400.541 1.306 30 10 HDEE CC[C@@H](C)N1C(=O)Cc2c1nc(N)c1c(N)nc(N3C[C@H](C)O[C@H](C)C3)c(C#N)c21 25463562 WFIVIQGAUATJEL-UTUOFQBUSA-N 409.494 1.967 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)c1 43483804 FSMVEUFPBRMSDZ-SFHVURJKSA-N 407.499 1.817 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nc(C)cs3)n[nH]2)cn1 59886856 LHQAEKKKKGMIAG-FZSIALSZSA-N 421.512 1.589 30 10 HDEE CC(=N/N=c1\[nH]c2c(c(=O)n(C)c(=O)n2C)n1C/C=C(\C)Cl)c1ccccc1O 254292169 DZFSZAYGQPYWKK-JUKORQEQSA-N 416.869 1.540 30 10 HDEE C[C@@H](C(=O)N1CCc2ccc(S(=O)(=O)N3CCCC3)cc21)n1cnc(C#N)n1 409736101 HIEBABBAGDLUHO-ZDUSSCGKSA-N 400.464 1.085 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(F)cc2-c2cnn(C)c2)CC1 433787792 YEMYNYHXWCEBDE-UHFFFAOYSA-N 400.458 1.678 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 435439674 WGCOOCFJFVVUFI-BBRMVZONSA-N 412.471 1.467 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)Nc1cnn(-c3ncccc3C#N)c1)C2=O 461302964 AOYPVIUPBXXSMU-NRFANRHFSA-N 421.461 1.968 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](CNS(=O)(=O)c3ccc(C#N)nc3)C2)c1 465497747 VKMWSONQDWEBEQ-AWEZNQCLSA-N 402.476 1.775 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(CO)nnc3C2)n(-c2ccccc2)c1C 471017247 GUJRIBWCZUTLIX-UHFFFAOYSA-N 405.462 1.504 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@H]2CCN(C(=O)NCC)C2)cc1 473767305 ZJVOMLPEVQTNCG-HNNXBMFYSA-N 409.512 1.418 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCN([C@@H]4C[C@H]5CC[C@H]4C5)CC3)CC2)o1 483018521 DUQADEUIEHMARD-CMKODMSKSA-N 412.538 1.310 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCCNC(=O)c3ccccc3)C2=O)cc1 487075820 IODBYNJDLFVVEJ-LJQANCHMSA-N 405.458 1.388 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)cc1C#N 489113694 QWUWYNYCNGTZFR-GOSISDBHSA-N 400.460 1.858 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N[C@@H]2CCOc3c(Br)cccc32)CCO1 499722163 YHROUOWBDVAGJJ-GXFFZTMASA-N 402.270 1.331 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)C[C@@H]1CCS(=O)(=O)C1 508690218 VRUCDYDJQNLXIQ-AWEZNQCLSA-N 404.492 1.773 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H]1c1cccnc1 510430360 XDNFQDYIEBTMSU-UTKZUKDTSA-N 407.449 1.961 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)CN1CCN(CC(F)(F)F)C(=O)C1 512788524 QFGHIYKSRMSPAI-UHFFFAOYSA-N 406.368 1.389 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(Cc4noc(CC)n4)CC3)cc2C1=O 521994146 LMBSENZJYWTBQH-UHFFFAOYSA-N 409.446 1.372 30 10 HDEE N#CC1(c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCC(N)=O)cc2)CC1 539674168 WOLAILSDPPZKNU-LJQANCHMSA-N 404.470 1.574 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4cnccc4C#N)CC3)cc2C1=O 553698532 YFQDZNQNZSTOQT-UHFFFAOYSA-N 401.426 1.698 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 555221568 SOFJEBGDAGUTPG-QGZVFWFLSA-N 411.462 1.675 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C2CCN(C(C)C)CC2)CC1 555264613 SIMHDXDJUDIRMB-FQEVSTJZSA-N 418.586 1.937 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)CNC(=O)[C@@H]1c3ccccc3C(=O)N1C1CC1)CC2 555772191 QSEZPDMPAPZQEG-NRFANRHFSA-N 400.438 1.923 30 10 HDEE CN(C)c1ncc(CN(C)S(=O)(=O)c2cccc(Br)c2C#N)cn1 581743861 PROVNTWLAFVEQS-UHFFFAOYSA-N 410.297 1.997 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCO2)CC1 584416776 UBJQHFFVSRAFFV-QGZVFWFLSA-N 404.559 1.470 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)O[C@@H](C)COC)cc21 586312425 GMPWFRADPXPIGW-OIJAAMDRSA-N 409.460 1.108 30 10 HDEE CCN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@H]1CCN(c2ccccc2)C1=O 586864813 HRNZCQCZQCTRDE-IBGZPJMESA-N 408.433 1.968 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)[C@@H]3CCc4nnc(C5CC5)n4C3)C2=O)cc1 590324356 LYDOTXVNBQPBRO-AEFFLSMTSA-N 404.474 1.901 30 10 HDEE CN1CCc2ccc(S(=O)(=O)N3CCN(c4oc(C5CC5)nc4C#N)CC3)cc21 610652027 PRPHVTYKPCFSJD-UHFFFAOYSA-N 413.503 1.927 30 10 HDEE Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C#N)c1ccc(F)cc1 612607059 VYKMEUDGFSPJKD-MRXNPFEDSA-N 406.439 1.180 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(OC)cc1I 618026577 QHJUTQNJJSPAJN-UHFFFAOYSA-N 404.204 1.557 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC34CCOCC4)CC2)cc1 618052855 CNPISWDNEJAAMJ-UHFFFAOYSA-N 403.504 1.740 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 732649344 GPJAAOBVXDWBLE-KRWDZBQOSA-N 404.536 1.838 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C[C@@H](C)O1 732706173 HTMBNTCUVJELFM-GQIGUUNPSA-N 411.506 1.437 30 10 HDEE COC(=O)C1=C(COC(=O)c2ccc(C#N)nc2)N(C)C(=O)N[C@@H]1c1ccccc1 734600279 YUPPEPKWPZDEKF-GOSISDBHSA-N 406.398 1.933 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(CC(C)C)c2=O)cn1 735068436 BAPFSTOEWNDFFG-UHFFFAOYSA-N 413.547 1.298 30 10 HDEE C#CCN(C(=O)[C@H]1CCN(c2ccc(C(C)C)cc2)C1=O)[C@H]1CCS(=O)(=O)C1 741674483 FCEXIZLLUMHFQD-RBUKOAKNSA-N 402.516 1.812 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 741692447 WNMJKEMICXTZCR-QJGXAYKQSA-N 406.483 1.713 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2C[C@H](C)O[C@H](c3ccc(F)cc3)C2)c1=O 742160752 FLSOXCBVKGHHMJ-YJBOKZPZSA-N 416.453 1.102 30 10 HDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)C1 742406245 UOHXXRJNLIRZTG-RDJZCZTQSA-N 419.551 1.023 30 10 HDEE COc1ccc(CNC(=O)CCc2c(C)nc(N3CCOCC3)nc2O)cc1C#N 746858970 MIMCKOLHNZBJIA-UHFFFAOYSA-N 411.462 1.457 30 10 HDEE C[C@H](CC(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1)/N=C1/NS(=O)(=O)c2ccccc21 765284719 GCNLWKNOMWGLHY-IIAWOOMASA-N 418.519 1.021 30 10 HDEE C=C(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 767701149 WIQVYAVPSPXNLV-VQIMIIECSA-N 416.474 1.643 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1)[C@@H]1CCS(=O)(=O)C1 774173223 VREPLCJYVXZGIS-RDTXWAMCSA-N 418.519 1.863 30 10 HDEE CCOC(=O)C[C@@H]1C[C@@H](OC)CN1CN1CC(=O)N(Cc2ccccc2C#N)C1=O 774689785 RJJDHOOQHRMRAJ-ZWKOTPCHSA-N 414.462 1.322 30 10 HDEE Cn1cc(/C=C/C(=O)OCc2ccc(C#N)cc2Br)c(=O)n(C)c1=O 778094222 GSWILFSUMZDQGS-AATRIKPKSA-N 404.220 1.475 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@H](C(=O)N(CC)CC(F)(F)F)C1 783305663 YOHUEIHGBCLOFP-ZDUSSCGKSA-N 413.462 1.420 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c(cc3Cl)OCCO4)CC2)cn1 786913626 WUFVNCAAIBWUBL-UHFFFAOYSA-N 420.878 1.889 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1CC(=O)N(C(C)(C)C)[C@H]1c1cnn(C)c1 796424581 NGPSZKFVVVEMKW-BJJXKVORSA-N 419.482 1.052 30 10 HDEE C#CCN(C(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 798483561 GSLPYXJEGMJRPZ-FPOVZHCZSA-N 403.548 1.731 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 802626837 QLYDLAJDXOVFIY-KSSFIOAISA-N 404.438 1.460 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 812058520 DQTHXMJSSPRVQW-IBGZPJMESA-N 424.530 1.548 30 10 HDEE CC(C)(C)OC(=O)NCCc1noc(CC/N=C2/NS(=O)(=O)c3ccccc32)n1 904768164 CXZMSXBTAYSPEA-UHFFFAOYSA-N 421.479 1.418 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(O)c2)n1N 1084330820 GZVRQUHNPSLCKD-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)C[C@H]2CCOC[C@@H]2OC)c1 1125418778 MNNDGDGJKVXVFT-QUCCMNQESA-N 400.475 1.301 30 10 HDEE COC(=O)[C@@H](COC(C)C)N(C)C(=O)c1ccc(S(=O)(=O)CCCC#N)cc1 1127115994 XXFJYWUFHWEZDL-QGZVFWFLSA-N 410.492 1.803 30 10 HDEE C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)N1CCN(c3ccc(C#N)cc3)CC1)C2=O 1132311922 XVLPTIVKFOBTSE-OPAMFIHVSA-N 409.490 1.708 30 10 HDEE CCc1noc([C@H]2CC[C@H](NC(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)C2)n1 1134505445 LPQUWKMSESVTRL-GJZGRUSLSA-N 417.491 1.890 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)Cc2nc(C3CCOCC3)n[nH]2)CC1 1135762565 MUHUPFWKSZHNCY-SFHVURJKSA-N 412.469 1.789 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)CCN3C(N)=O)s1 1137558571 FINGTDDRVNIZRT-UHFFFAOYSA-N 420.516 1.835 30 10 HDEE C#CC[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1)C(=O)OC 1141995846 ZWLOYZRGHBKMAO-LSDHHAIUSA-N 407.264 1.735 30 10 HDEE CC(C)(C)OC(=O)CC[C@H]1C[C@@H](C(=O)N(CCC#N)CCN2CCOCC2)CO1 1142586253 MYHLMXVGXWASJN-MSOLQXFVSA-N 409.527 1.588 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3c3ccnn3C)ccc2c1=O 1144266559 LEAMQMSIJWUYLX-KRWDZBQOSA-N 411.487 1.818 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2c[nH]nc2[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 1154959640 VEIURULOPSRQGM-HOTGVXAUSA-N 401.511 1.962 30 10 HDEE C#CCN(C(=O)CSc1nnnn1C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359677 ZZDMMIDGBWKESG-UHFFFAOYSA-N 420.539 1.961 30 10 HDEE N#CC[C@@H](NC(=O)CNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F 1156052567 CTEANJXSFHQNHO-SNVBAGLBSA-N 419.303 1.824 30 10 HDEE Cc1c(C(=O)N2CC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3)C2)cnn1CCC#N 1157274955 CBEHRLHMFASJPJ-QGZVFWFLSA-N 416.526 1.872 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C)c(S(N)(=O)=O)cc3C)cc2C1=O 1177377965 VDMNRUXZEGKYLA-UHFFFAOYSA-N 413.455 1.985 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2OC)C1 1188570333 OJAFQXVVIVCKEM-GUDVDZBRSA-N 424.519 1.629 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)c3cc(C)oc3C)CC2)c1 1190511157 TVDSEUULHHQHOR-UHFFFAOYSA-N 408.458 1.984 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1cc(C(=O)OC)ccc1Br 1213276505 XMRDIVXITATICO-GFCCVEGCSA-N 404.282 1.942 30 10 HDEE N#CCNC(=O)CNC(=O)N1C[C@@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1227975082 LFLFGMYGYUYTMT-KNVOCYPGSA-N 408.249 1.439 30 10 HDEE C#CCN(C(=O)NC[C@H](C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1230432766 IWFLLUZNCYEGKS-AWEZNQCLSA-N 401.529 1.464 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1nccn1-c1ccccc1 1251645182 FOBWHSHFWUGIHW-CYBMUJFWSA-N 405.418 1.334 30 10 HDEE C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)NCc3nc(C#N)cs3)CC2)C1 1255898235 NRLKMEGKBGUINA-LSDHHAIUSA-N 404.540 1.537 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnn(CC)c1)[C@@H]1CCS(=O)(=O)C1 1286384612 JCPOPJFGBMTMAR-DOTOQJQBSA-N 404.540 1.683 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 1286390121 XNGYXUUQJJAEEU-CQSZACIVSA-N 414.516 1.472 30 10 HDEE C=C1CCN(c2nnc([C@H](C)OCCOC)n2CC2CCS(=O)(=O)CC2)CC1 1286637654 JOIKSAPMTVZPLR-INIZCTEOSA-N 412.556 1.983 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2CCS(=O)(=O)CC2)CC1 1286660192 HHFCBIKJRRKKDA-INIZCTEOSA-N 407.540 1.456 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2Cc2cc(C)nn2C)C1 1286804444 NJPGLHQPJBULDB-WIYYLYMNSA-N 416.526 1.802 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@H]1CO 1288518665 WOTHGICYEFOYAM-WMZOPIPTSA-N 400.531 1.654 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1ncccc1C 1293097265 DYITVVUEIUSIIC-UHFFFAOYSA-N 405.510 1.832 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1294723433 PXJYBIFANZGKDE-UZLBHIALSA-N 416.478 1.301 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](OCCOC)C1 1295056797 GQYCXAWVSZHURD-SFHVURJKSA-N 412.494 1.537 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)CC2)nc1 1295210907 HMCHYLAHKWVPKK-IKJBURDNSA-N 408.462 1.189 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H](C)OCCOC)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1296258118 YPVCEZGFQGDSAU-FOIQADDNSA-N 422.505 1.750 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCS(=O)(=O)N(C)C 1298286584 XVVJKUFQGYEGHC-QGZVFWFLSA-N 418.523 1.529 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(N=S(C)(C)=O)c1)c1cc[nH]n1 1299207805 YIRHSBBIKXXFOU-UHFFFAOYSA-N 407.452 1.691 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)nc2nc(O)nc(O)c12 1300019445 XHVSXYNFLJMKIK-HNNXBMFYSA-N 404.430 1.967 30 10 HDEE COc1ccc(Cn2c(C)nnc2N2CCN(c3nccnc3C#N)C[C@H]2C)cc1O 1300189712 HGGSKVGWAUYQPT-CQSZACIVSA-N 420.477 1.726 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CC1(O)CCS(=O)(=O)CC1 1300459322 AFOILGDYKVFTPI-UHFFFAOYSA-N 413.503 1.436 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1300474121 ADBPPVAZJYJNEN-ZIAGYGMSSA-N 421.460 1.874 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CCCc1nc(C)no1 1300541545 WYJJIXMUZAIANB-UHFFFAOYSA-N 414.473 1.914 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCC(=O)N(C)C 1300596822 XDDPUILUPCMMPK-HKUYNNGSSA-N 401.511 1.333 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCn1cncn1 1300649623 OBYKZFIQMJFPOG-UHFFFAOYSA-N 422.493 1.525 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)NCCC)CC1 1300696340 YQXVWYIEXATTAI-UHFFFAOYSA-N 405.506 1.708 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnccn2)CC1 1301018503 DSFMBFVKGYEPMA-HNNXBMFYSA-N 407.906 1.871 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301037594 WPRWZIRRXWZMEP-ZDUSSCGKSA-N 418.889 1.107 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@]1(C)CCCS1 1301297689 SSZZQXMZFUQXBA-PBHICJAKSA-N 415.585 1.519 30 10 HDEE C=CCSCCn1c(-c2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1301604656 YEXALKWBLIOLEU-UHFFFAOYSA-N 422.580 1.731 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCC(C)(C)O 1302095827 XKCYFEXJZHEOCX-WBVHZDCISA-N 406.531 1.340 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)NCCC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1302783660 HQKNKABBSVGHPW-IBGZPJMESA-N 411.483 1.713 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2CCN2C2CCOCC2)s1 1304059633 GOKGPRRVSAPAFC-HNNXBMFYSA-N 413.565 1.124 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCCO 1305467421 OVRRCWXCCDZXNH-AWEZNQCLSA-N 400.483 1.726 30 10 HDEE C#CCOCCN1CC[C@@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1307844822 QTVFDNKUHHVVRR-ZWKOTPCHSA-N 406.527 1.504 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC[C@H]1CCCC[C@@H]1NS(C)(=O)=O 1309485539 FKOXGNRXSAABME-DOMZBBRYSA-N 403.501 1.392 30 10 HDEE C=CC[C@@H](CO)CNC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1312310873 RYXYFLPYXLOMCC-GFCCVEGCSA-N 410.414 1.843 30 10 HDEE Cn1cc(CCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(F)cc21 1312555372 FSGRPZSQIHEJNX-UHFFFAOYSA-N 410.409 1.260 30 10 HDEE C#CC1(O)CCN(C(=O)NCc2ccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)cc2)CC1 1312684026 XVBOKRFPULBCMI-NRFANRHFSA-N 410.474 1.581 30 10 HDEE CCOCCC1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1314450171 ZUSAHFPLSQGDNJ-DLBZAZTESA-N 416.526 1.945 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)N[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1358956673 JGQZTPYNGBSXAD-ZACQAIPSSA-N 423.583 1.723 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1358966944 ABQAURXXMIZYFI-IXDOHACOSA-N 408.524 1.183 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(C)CN(C2CC2)C1=O 1358984267 OKGIGQGQJMOVRN-HSZRJFAPSA-N 424.549 1.670 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN(C)C 1358994007 BQFPVCMBGIPARB-KRWDZBQOSA-N 405.568 1.231 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CC(N)=O)CC1 1359097388 OIEZRLJBURJWMP-FCEWJHQRSA-N 416.526 1.302 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1359122135 ZRXIWNURZVWJMO-YWZLYKJASA-N 420.510 1.993 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CCc1cnccn1 1359296496 LCRJFANKTBFADY-UHFFFAOYSA-N 421.461 1.445 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[S@@](=O)CC)C1 1359311592 DKMPOYLRPOYJOE-HOLBHBGLSA-N 418.523 1.475 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](OCCOC)C2)nnc1C(C)(C)C 1359335711 SKTJLQVTHLLSSZ-OAHLLOKOSA-N 400.545 1.418 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)CC3(n4cnnn4)CCOCC3)ccc21 1435912447 HCXHWSAPBQHOQX-UHFFFAOYSA-N 423.477 1.791 30 10 HDEE N#C[C@]12CN(C(=O)c3nc(C(F)(F)F)n4c3CCCC4)C[C@H]1CS(=O)(=O)C2 1439798310 CHEICKOQYFXDRI-ZUZCIYMTSA-N 402.398 1.249 30 10 HDEE C#CCCN1CCN(C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)CC1 1442680116 NNJYZCBFCHMADR-INIZCTEOSA-N 401.511 1.803 30 10 HDEE CN1CCN([C@H]2CC[C@@H](NC(=O)[C@@H]3CC(=O)N(c4ccc(C#N)cc4)C3)CC2)CC1 1448129868 YGZVJYQCBCDESF-AQNXPRMDSA-N 409.534 1.586 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC(CNS(C)(=O)=O)CC1 1449347948 OMHQTBSZHORGKY-HNNXBMFYSA-N 416.544 1.361 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 1459881168 OAKJTFMMRJRTET-RDPWEWGOSA-N 404.536 1.659 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CC(=O)Nc2oc(C)c(C)c2C#N)CCO1 1460539770 COWXSDNJBWCJPF-FQEVSTJZSA-N 407.467 1.766 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 1463390664 MJILEGRRZMGSFX-UHFFFAOYSA-N 406.913 1.128 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(c2nc(C)cc(O)n2)C1 1471857767 ZEBWWHXBCNDHCV-JKSUJKDBSA-N 417.510 1.882 30 10 HDEE N#Cc1cccc(OCc2cccc(C(=O)NCCc3nnc4n3CCNC4=O)c2)c1 1471861751 ICDZGHYGMWADTG-UHFFFAOYSA-N 416.441 1.445 30 10 HDEE CN1C(=O)Cc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)ccc21 1475594622 AFZBUBILEBAJJG-UHFFFAOYSA-N 414.462 1.727 30 10 HDEE C#CCN(C(=O)NCCc1cnc(SC2CCCC2)nc1)[C@H]1CCS(=O)(=O)C1 1478726764 XMVSKBYCQUHLHA-INIZCTEOSA-N 422.576 1.886 30 10 HDEE CCN(CCC#N)C(=O)CN1CCC[C@](C)(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1484162494 IDDGDKDYESFMDY-UQTLAFAOSA-N 402.539 1.390 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1CCS(C)(=O)=O 1503438803 DAIGMCVIJTXYGR-UHFFFAOYSA-N 418.523 1.212 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CCN1CCOCC1(C)C 1505057691 SEMLKWVIQUPCCF-BZSNNMDCSA-N 420.558 1.851 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(F)(F)Br)CCO1 1505323603 HMMFFXXFVZIWES-GFCCVEGCSA-N 413.226 1.980 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1507594240 BEMSDFLGPLSBMY-INIZCTEOSA-N 412.469 1.966 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nc(C)no1 1507765344 RWBXTLBHRWXAJL-FZKQIMNGSA-N 421.527 1.205 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1507772773 NGUFYONFJAYGIS-WMLDXEAASA-N 413.931 1.356 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](S(=O)(=O)NCC)C2)nnc1[C@]1(OCC)CCOC1 1507835366 XPBGRTHRGIMNMF-YJBOKZPZSA-N 413.544 1.024 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCN(CCC)C2)CC1 1507883197 ZXDRLTZBJFMJTC-IRXDYDNUSA-N 410.588 1.777 30 10 HDEE C=CCn1c(-c2cccnc2)nnc1N1CCC(C(=O)N2CCC(C(N)=O)CC2)CC1 1508055211 JUKXNDWILDONRC-UHFFFAOYSA-N 423.521 1.466 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCN(C(=O)OCC)CC1 1508081347 JPRKVFKFVVYBCS-UHFFFAOYSA-N 412.494 1.834 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@]2(C)CN(C)C2=O)CCOC1 1509788697 MFRCPVSDRRXHAO-RYGJVYDSSA-N 404.515 1.535 30 10 HDEE CC[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(=O)(=O)NC)C1 1513539928 BAPUSQZKEQUFPZ-IBGZPJMESA-N 402.524 1.992 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1c(F)cc(C#N)cc1F)C(=O)NCCN1CCOCC1 1515232207 FPWMQSKKCGOOKC-UGSOOPFHSA-N 408.449 1.429 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)CCOC1 1516220374 FDJYWIUAOPVNOY-OXJNMPFZSA-N 406.531 1.247 30 10 HDEE CN1C[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCCCCO)CCN2C1=O 1517413029 XUDUBTCGZOTDSW-LJQANCHMSA-N 423.521 1.925 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1519295966 FPFFKBWRHXBUFG-YKHTYXQRSA-N 418.498 1.517 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)C1 1521069277 HRIDBRKCEXDRGE-FQEVSTJZSA-N 417.489 1.245 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C#N)cc2OC)cc1 1525680574 DUXVAZDMHARRDT-UHFFFAOYSA-N 416.455 1.585 30 10 HDEE C#CCCOc1ccc(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 1526287265 YFKVDTBNSWQRFH-UHFFFAOYSA-N 415.490 1.898 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)c3cccn(CC(F)(F)F)c3=O)CC2)c1C#N 1537403136 MVVCEUTYNKGDTJ-UHFFFAOYSA-N 408.384 1.287 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1539220441 SHDMMYKNRQOIDP-KSSFIOAISA-N 408.549 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1ccccn1 1539258175 SBLPDDVKFUSTFV-UHFFFAOYSA-N 423.480 1.903 30 10 HDEE C#CCN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1539341002 WXFNIHLMWWGAEZ-UHFFFAOYSA-N 400.508 1.465 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)cn2C)n1Cc1cnnn1C 1539346277 CTQGYZNUOGFDCD-UHFFFAOYSA-N 403.288 1.682 30 10 HDEE N#Cc1c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCC3)s2)nc2n1CCOC2 1539545085 AJRBNMURHOESBP-UHFFFAOYSA-N 421.504 1.312 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ncccc3C#N)CC2)n1 1539667703 PQSHQRGVCPPLPX-UHFFFAOYSA-N 405.867 1.368 30 10 HDEE C=C(C)COCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1539760126 VIERFPUMJJNSCM-OAQYLSRUSA-N 421.542 1.582 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCc1ccco1 1540058808 XHULNPPZAXLNSZ-UHFFFAOYSA-N 419.449 1.452 30 10 HDEE C=CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCC(=O)N1CCOCC1 1540069407 OOUGWEPLACUZDW-UHFFFAOYSA-N 423.477 1.465 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@H](C)O[C@H](C)C1 1540865208 YEAFACYGFZZJMH-GASCZTMLSA-N 415.494 1.878 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccccn2)CC1 1540868804 SGHGKVLUMIPDGS-UHFFFAOYSA-N 404.478 1.364 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1540905641 UWBPZOQHDGSTPR-UHFFFAOYSA-N 423.505 1.762 30 10 HDEE C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ncccc2C#N)CC1)N(C)C 1541871082 XYRTUAGDJQCKKO-SJLPKXTDSA-N 410.526 1.673 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(OCC(N)=O)c(OC)c1 1543042093 TVIQOCIRAJLLJP-HNNXBMFYSA-N 419.478 1.482 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]3C(=O)NC3CC3)CC2=O)cc1Cl 1544388417 CUEFQYWJGBXERC-DYVFJYSZSA-N 400.866 1.834 30 10 HDEE COC(=O)[C@]1(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C[C@@H]1c1ccccc1 1544571809 KLPVOPZCHQQTGG-LBUQITIBSA-N 405.458 1.732 30 10 HDEE C[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)CC(=O)N1C 1545061546 UAQPWUXOGKKJCK-WMZOPIPTSA-N 424.505 1.822 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CC(=O)N(C)C 1545545893 GQDUJEGUFWCBBJ-LSDHHAIUSA-N 411.514 1.257 30 10 HDEE N#CC1(NC(=O)CNS(=O)(=O)c2ccc(Br)cc2)CCSCC1 1545827508 QUZPBLMDFAGZHL-UHFFFAOYSA-N 418.338 1.633 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)F 1555624978 AOBYIQYOCFULOR-LBPRGKRZSA-N 400.430 1.123 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2cccs2)C1 1555984876 DDUMZJCEVZFFTB-GUYCJALGSA-N 409.512 1.926 30 10 HDEE COc1ccc(CN2CC[C@@H](NC(=O)c3nc(O)c(C#N)cc3C)C2=O)c(OC)c1 1556521240 UDZRAGODNCFMAN-MRXNPFEDSA-N 410.430 1.515 30 10 HDEE COc1cc(CNC(=O)N2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)ccc1C#N 1564714620 YVZXYZYGSKQJQW-CEXWTWQISA-N 414.506 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC=C 1587603383 LBDOSUMXOYEROZ-HNNXBMFYSA-N 416.503 1.775 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)CC1 1587644595 CAJQMSUNCYLNTL-OLZOCXBDSA-N 400.357 1.419 30 10 HDEE C#CCCCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793081 GIOLFYPAOJJZOU-LEWJYISDSA-N 403.527 1.824 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(C)n(C)c1=O 1588271352 HSYLSKSYZWAFER-JOCHJYFZSA-N 413.522 1.834 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCN(C)CCOC)CC1 1588780777 WOMXEGNSHYOVJS-UHFFFAOYSA-N 417.945 1.327 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCN1S(C)(=O)=O 1589215868 GVSSQWKUYXLHOY-MBOZVWFJSA-N 421.567 1.588 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CC(=O)NC(C)C 1589514525 GZBIDKJLNIWQIB-MAUKXSAKSA-N 401.515 1.621 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1593878261 FXFKMZWANQKGIS-ZIAGYGMSSA-N 420.905 1.457 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCC(C(=O)NC2CCCCC2)CC1 1595551611 SSKCMCZFMNFXQF-UHFFFAOYSA-N 402.543 1.808 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCCN2CCOCC2)C1 1595715273 UPYUPDGOUQMPKO-QZTJIDSGSA-N 418.542 1.123 30 10 HDEE C=C(CN(C)C)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NCCCC 1597003608 SZCPCXMSAFLMCB-UHFFFAOYSA-N 424.567 1.976 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](C2(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)CC2)C1 1608138108 JTOGKGLIDNRZOM-MGPWXQLLSA-N 418.494 1.809 30 10 HDEE C#CC[C@@]1(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1611250425 ALQRLFOHNUSPOP-BEFAXECRSA-N 413.540 1.177 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(C(=O)OC)c2ccccc2)s1 1611390935 WYDNOVYVNMDWIP-IBGZPJMESA-N 422.528 1.960 30 10 HDEE C[C@@H]1C(=O)N(C)CCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CCCO1 1612657093 AMQACTGZVUBBJJ-OPAMFIHVSA-N 424.505 1.965 30 10 HDEE C=CC[C@H](C(=O)OC)N1CCCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1615342782 JVLCHEAIDAZVCF-MRXNPFEDSA-N 410.492 1.272 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2CCN2CCOC[C@H]2C)CCOC1 1616185341 IBDXXFZGHXRJRF-UTKZUKDTSA-N 418.542 1.391 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)O[C@@]2(CCCOC2)C1 1618794265 DDUHXONQHCHYTB-ZHRRBRCNSA-N 424.505 1.727 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1619989085 BCPRKDMEHHMMFO-MDZRGWNJSA-N 423.489 1.987 30 10 HDEE N#C[C@]12CN(C[C@H](O)COc3ccccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1620635212 GGEIIGVXSDIVOJ-HEHGZKQESA-N 404.410 1.315 30 10 HDEE C[C@H](N1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1)C(F)(F)F 1620689107 GNEYEAXTMFYWNG-NSHDSACASA-N 407.389 1.832 30 10 HDEE N#Cc1ccccc1Oc1ccc(NC(=O)N[C@@H]2CS(=O)(=O)C[C@H]2O)cc1F 1623159544 BPWRNVPECXUXBK-HUUCEWRRSA-N 405.407 1.769 30 10 HDEE N#CCc1ccsc1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1624251158 QPJWXLNMQDDIPD-UHFFFAOYSA-N 419.484 1.388 30 10 HDEE C#CCC[C@@H](O)CNC(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 1626046816 OJBKBMYNKHKOKF-QGZVFWFLSA-N 402.495 1.643 30 10 HDEE CC(=O)N1CCN(c2ccc(C(=O)N3CCO[C@](C)(C#N)C3)cc2[N+](=O)[O-])CC1 1626947969 DXOBYIZOTXHUSO-LJQANCHMSA-N 401.423 1.018 30 10 HDEE CN(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)c1cccc(CC#N)c1 1627402179 KUPOJKDVNBUIAA-UHFFFAOYSA-N 402.432 1.711 30 10 HDEE N#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCCOc2ccccc2)ccc1Cl 1627542710 BMRVRAWDFJVNJF-CYBMUJFWSA-N 423.878 1.312 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCn2c(nnc2C(F)(F)F)C1 1628380983 RDRIDGPMXKEYGC-LLVKDONJSA-N 401.389 1.946 30 10 HDEE C[S@](=O)CCN1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1628485085 AUTQZANYRAGVLD-NDEPHWFRSA-N 411.568 1.160 30 10 HDEE C#CCN(C(=O)NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(C)CC1 1628692619 QNRZSBHVYMXYRY-UHFFFAOYSA-N 411.594 1.933 30 10 HDEE C#CC[C@H](CO)NC(=O)CSc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 1636838655 HDKPVYOGQKULJP-BZUAXINKSA-N 414.531 1.836 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccc(OC(F)F)cc3F)C2)c(=O)nc1O 1637710308 XYEWLAUEYAGGCJ-UHFFFAOYSA-N 409.324 1.328 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1 1640284986 WFXBXYXQQATBNK-BFYDXBDKSA-N 404.442 1.089 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1641476635 QMYPHQYZUZUYID-HXUWFJFHSA-N 407.474 1.624 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(Cc2ccccc2)[C@@]2(CO)CCOC2)c1 1643063077 ADBVZLCMOQORPQ-HSZRJFAPSA-N 407.470 1.970 30 10 HDEE CN(C)C[C@]1(O)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1643209196 XRNQLCKPYVNNHL-OAQYLSRUSA-N 413.478 1.548 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](SCc2ccccc2)C(C)C)CC1 1644281481 COSKTYGAVVYKQE-SFHVURJKSA-N 409.577 1.556 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(C)CCN(C)C(=O)OC 1645750292 RFZPWJYVGSLPGL-OAHLLOKOSA-N 424.523 1.441 30 10 HDEE C[C@@H](C(=O)Nc1cccc(S(N)(=O)=O)c1)N(C)C[C@@H](O)c1cccc(C#N)c1 1654984085 FKCBYGPSLSUJDD-SCLBCKFNSA-N 402.476 1.198 30 10 HDEE CO[C@]1(CO)CCCN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1655009855 GJJRNOVSNXLTOY-TZIWHRDSSA-N 404.486 1.008 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CC[C@@H]2[C@@H]1CCCN2CCO 1656411872 WWDZOHPXLXHXJP-OTWHNJEPSA-N 400.523 1.861 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 1659352935 WDODXLYKXUQJQM-SFHVURJKSA-N 421.563 1.612 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1c(Cl)nc2ccc(Br)cn12 1664254170 SFSCQSBCWKGODA-JTQLQIEISA-N 406.689 1.803 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCCCn2ccc(O)nc2=O)cc1 1667791084 UNYKYJSGZQNPPJ-UHFFFAOYSA-N 411.462 1.975 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cccc(C(=O)OC)c1Br)C(=O)OC 1669657191 IGLBFOSFECIKMD-JTQLQIEISA-N 404.238 1.079 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3cccc4c3OC(F)(F)O4)C[C@H]1CS(=O)(=O)C2 1674540610 NBHUIHUZWBXOGQ-BLLLJJGKSA-N 413.402 1.130 30 10 HDEE CO[C@]1(CNC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1676217574 BZHLMWBSKFSNMA-IBGZPJMESA-N 407.492 1.315 30 10 HDEE C#C[C@H](CC)NC(=O)NC[C@@H](O)COc1ccc(I)cc1 1681724367 KVOHQBOZPYEYGB-CHWSQXEVSA-N 402.232 1.742 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC3(CCC3)Oc3ccccc32)CC1 1684068105 KFYSCFIVTOLDGO-KRWDZBQOSA-N 418.519 1.228 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccsc2C(F)(F)F)CC1 1684505628 RRCOEGNJKWZUTM-UHFFFAOYSA-N 410.443 1.062 30 10 HDEE C#C[C@H]1COCCN1C(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1687479139 NUWWGVQGIVTJQZ-DLBZAZTESA-N 407.511 1.836 30 10 HDEE N#Cc1csc(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 1687729577 JZBYILQSOJFGNK-UHFFFAOYSA-N 400.420 1.591 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 1689928041 GGGGIGKZOGBSBH-SFHVURJKSA-N 423.477 1.877 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1689955797 UBDFPBCMAZCLFT-KRWDZBQOSA-N 403.446 1.551 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1CCC(=O)N(C)C 1690009972 QPYZZBSBYPCMHV-UHFFFAOYSA-N 409.490 1.904 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)Oc2ccccc2F)n1Cc1nnn(C)n1 1690032452 BQCDNDRCDTYVLA-HNNXBMFYSA-N 408.441 1.592 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(=O)N3CCCC3)n2[C@H]2C[C@@H]2C)n1 1690108004 LPTLTQMPESUSOV-WMZOPIPTSA-N 411.510 1.578 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CN(CC(C)C)CCO1 1690514176 WMJNTHPCAUKMBA-QGZVFWFLSA-N 413.526 1.904 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H](C)[C@H]2CCCC[C@@H]21 1690655231 LRYNKISDNMKUMI-BBWFWOEESA-N 400.527 1.831 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN2CC)C1 1690709768 LCOGHJSIEDBHRA-ROUUACIJSA-N 402.543 1.666 30 10 HDEE CN(Cc1ccccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1696703053 KVKKLFWONLXMIT-FMQUCBEESA-N 407.478 1.788 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1705586623 PRGDUOXYCJEIMU-SBUREZEXSA-N 403.486 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@H]2CCCSC2)CC1 1705635153 SBZKELRSNDURJS-WIYYLYMNSA-N 419.595 1.829 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2Cc2nccc(C(F)F)n2)CC1 1705640833 HUSHGPPKPRPPPP-UHFFFAOYSA-N 424.459 1.795 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705729155 NCGCRCQQNGJZBM-KRWDZBQOSA-N 406.531 1.314 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705753870 KQPLBDHEHXZMGO-KGLIPLIRSA-N 408.890 1.397 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1705760092 AAQQHXLUYAQKII-DNVCBOLYSA-N 409.918 1.882 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC[C@@H]1C 1705901386 JZDWPFGQRPLNRP-KGLIPLIRSA-N 400.483 1.933 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCCNS(C)(=O)=O)C1 1706935824 ZHTVSXREIVUXRH-SFHVURJKSA-N 403.512 1.409 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC(F)(F)Br)CCO1 1712885018 XQTAVICSHGNTJX-MNOVXSKESA-N 406.231 1.889 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@H]1CCCc2c1cnn2C 1722324010 KBLJQCSKTUMKKS-HOCLYGCPSA-N 419.555 1.549 30 10 HDEE C#CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1722336815 PVDUEQYOOFMKQB-CQSZACIVSA-N 405.462 1.674 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccccc12 1722343514 CHEXJGMDJGLLBK-CQSZACIVSA-N 400.508 1.682 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@]1(O)CCO[C@@H]1C 1722385727 KGQUAVKYDIQKLU-VGOFRKELSA-N 410.474 1.478 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@H]1C 1722405496 DBDPHGDAVNOROM-YCRPNKLZSA-N 400.479 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1CCc1cccc(C(N)=O)c1 1722424746 YPXCGNICESZKDS-UHFFFAOYSA-N 404.474 1.768 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2Cc2ccccc2OCCN(C)C)CC1 1722437270 BTVFAQCITRZFFX-UHFFFAOYSA-N 408.550 1.899 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccncc3)n2CC[C@H]2CCOC2)CC1 1722449777 ZEOIUGXCFCUDOL-IBGZPJMESA-N 422.533 1.656 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC(Cn2cncn2)CC1 1722457779 NIZVSSJNJAKAFB-UHFFFAOYSA-N 409.523 1.610 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1C[C@@H]2C[C@]2(NC(=O)OC(C)(C)C)C1 1722697691 PSJYYEHYCCRPMF-XOBRGWDASA-N 402.499 1.561 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2cnn(C)c2)C1 1722709225 LFXJLLUWQKRITM-INIZCTEOSA-N 408.466 1.489 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O)N(C)C 1723817363 CMGZGYMBTHQNTN-GJZGRUSLSA-N 404.540 1.636 30 10 HDEE C=CCOCC(=O)N1CCC2(CC1)CO[C@@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1726209378 WACFGFZHBAOKPP-SGTQZHETSA-N 404.507 1.126 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2CCCS(C)(=O)=O)CCO1 1726724256 GKZCKWASHCPWAU-OAHLLOKOSA-N 419.507 1.389 30 10 HDEE CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1728638662 UYZFZHKTUCCDIF-GHTZIAJQSA-N 419.549 1.642 30 10 HDEE CCO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728947554 QUHPMMJBSUDIRL-UKRRQHHQSA-N 422.511 1.407 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCC2)C[C@H]1O 1729783498 ZFBYRZUQVDDUDW-IAGOWNOFSA-N 411.462 1.092 30 10 HDEE COCCN(C)CCn1c(Cc2csc(C)n2)nnc1N1CC[C@](F)(C#N)C1 1730733715 CAKNPYDFDIEZNS-SFHVURJKSA-N 407.519 1.654 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC[C@H]2CCCO2)CC1 1731190759 XPXKDWZUAZXALX-MSOLQXFVSA-N 416.526 1.945 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc(F)cc1C 1740639477 CBYODTBOTOQFFN-SFHVURJKSA-N 414.506 1.943 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CC1(S(C)(=O)=O)CCC1 1740651967 OVRHTAULKXCFOX-UHFFFAOYSA-N 400.508 1.109 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2cc(F)ccc2F)CC1 1740699001 SDJWQGCOLGAANJ-UHFFFAOYSA-N 414.460 1.482 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1740782368 PTVFJHIMUHHBIO-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 1740957999 GPIKMGQMGQQKBG-INIZCTEOSA-N 417.558 1.090 30 10 HDEE CC(C)c1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1Cc1ccc(C#N)o1 1741370667 PXUOBBKFIKQZFC-UHFFFAOYSA-N 420.477 1.735 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC(=O)NCC(F)F 1744690841 CBLNHIITLVQRDG-UHFFFAOYSA-N 421.427 1.559 30 10 HDEE CN(C)S(=O)(=O)c1ccccc1Cn1c(C2CC2)nnc1N1CCO[C@@H](C#N)C1 1747602485 IDPJSTCZDBCQGY-INIZCTEOSA-N 416.507 1.183 30 10 HDEE C#CCCCn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1748764257 IXEHHCUUOSXYSY-RXVVDRJESA-N 414.510 1.446 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCN(CC)C(C)C)CC1 1749008846 HIUFTAUWUUSUIM-UHFFFAOYSA-N 424.553 1.431 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H]2[C@H](C1)C2(C)C 1749426775 HHOISWOMZKSKDU-JYJNAYRXSA-N 409.556 1.669 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1749427864 VOCMNDPYBKGWEY-FUHWJXTLSA-N 418.567 1.949 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[C@H](O)C2)C1 1749717385 KIJQOIASCOTATC-OKZBNKHCSA-N 403.527 1.733 30 10 HDEE CON(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1\N=CC=CC1=O 1750168537 UGZBAKSJPIPOSM-FMQUCBEESA-N 421.461 1.805 30 10 HDEE Cc1nc(CCn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n[nH]1 1751793625 WNIKUNFXCXKHEN-MOPGFXCFSA-N 418.477 1.430 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)ccc2Br)n1CC(=O)N(C)C 1760173078 JATJPLKNSXDHBR-UHFFFAOYSA-N 406.284 1.874 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CC1(C(=O)N(C)C)CCCC1 1760247690 LEAPGCOSDAHXQA-UHFFFAOYSA-N 413.526 1.413 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2CCO[C@@H](C)C2)CC1 1760251882 KPRXNYZJENNAQI-ROUUACIJSA-N 416.570 1.767 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1760272367 IALIDEIRJDOQKZ-GVDBMIGSSA-N 403.552 1.599 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1760345055 CXDXVPSYFLUPRS-AWEZNQCLSA-N 403.556 1.809 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H]1CCCOC1 1760450694 PTDWMMFGKBIPOA-DLBZAZTESA-N 412.556 1.636 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCS(=O)(=O)N(C)C 1760453700 FTNCMVNMBIXDRY-UHFFFAOYSA-N 420.539 1.661 30 10 HDEE COCCN(C)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1769775729 BRDGPMCTOWPUJP-LJQANCHMSA-N 409.494 1.514 30 10 HDEE COCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1769783472 DKKSGAGFEGWHJQ-LJQANCHMSA-N 423.521 1.206 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)N(C)C)C[C@@H]1C 1769896012 FACODJNEIFEBMA-MSOLQXFVSA-N 411.554 1.924 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccccc2)[C@H]1C 1772566374 IGAINJUBVCNFRP-NJAFHUGGSA-N 408.506 1.914 30 10 HDEE Cn1nc(OCC(=O)OCCN2CCN(c3ncccc3C#N)CC2)c2ccccc21 1851891450 MTVAZFHREDVPEV-UHFFFAOYSA-N 420.473 1.584 30 10 HDEE C=CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1)[C@H]1CCN(C)C1=O 1851937854 ZLMNTFOXULIXIV-KRWDZBQOSA-N 404.426 1.741 30 10 HDEE C[C@H](C#Cc1ncc(C(F)(F)F)cc1Cl)OC(=O)CN1CCNS1(=O)=O 1852921250 XQGXJRNTOPSEDL-SECBINFHSA-N 411.789 1.187 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1854157780 IWTGYGHGCXTAPL-ZWKOTPCHSA-N 414.893 1.866 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C)C(C)(C)C1=O 1854416687 CZLZHOWMHFESKV-UHFFFAOYSA-N 419.507 1.381 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(S(=O)(=O)CC)c3ccccc32)CC1=O 1854775625 SPPKDJUSROYIJI-AWEZNQCLSA-N 405.476 1.141 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1855075855 UISCIZAJYRLSDA-IAGOWNOFSA-N 416.522 1.997 30 10 HDEE N#Cc1cccc(C(=O)O[C@H]2CON(S(=O)(=O)CCOc3ccccc3)C2)c1 1855228946 IREAQGIHYMUZNE-GOSISDBHSA-N 402.428 1.740 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)Cn2cnc3ncccc3c2=O)C1 1855463585 PIOGBEADWXHFBL-IRXDYDNUSA-N 409.490 1.597 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)ccc1F 1855577559 KWLFBMOYXWWWEC-OAHLLOKOSA-N 407.467 1.824 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C1=O 1855823922 DCZZZTXVTMIXQH-QZTJIDSGSA-N 411.568 1.606 30 10 HDEE CCCOc1ccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)cc1 1856047750 SHMPOBGFCWQPOB-UHFFFAOYSA-N 421.519 1.711 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CCC[C@H](COc4cnccn4)C3)C2=O)c1 1856456637 QGGURKMNSHVCTB-HKUYNNGSSA-N 405.458 1.880 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(C)Cc3nc4ccccc4n3C)C2=O)CC1=O 1856647534 OCHLEVBWDSKGOX-QAPCUYQASA-N 409.490 1.167 30 10 HDEE CCCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3cccc(C#N)c3)C(=O)O2)CC1 1856653282 QXRXFRHNERMKFG-QGZVFWFLSA-N 405.476 1.971 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)=O)s2)C1=O 1856747964 CIZZSDGMVOSVNU-CABCVRRESA-N 403.504 1.801 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(N3CCOCC3)nn2)C(=O)C1(C)C 1856775544 ZJTNMYHLDLKMSR-OAHLLOKOSA-N 400.483 1.068 30 10 HDEE N#CCC(=O)N1CCCC[C@@H](N2CCC(Cn3nc4c(cc3=O)CCC4)CC2)C1=O 1856911710 KXSIGERNVUJGQN-LJQANCHMSA-N 411.506 1.265 30 10 HDEE Cc1ccc(CS(=O)(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3C#N)C2)cc1 1858334028 AFYHBDMVCXCYJW-SFHVURJKSA-N 419.528 1.749 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 1861206060 CPOKCFRYNRWTCT-QRQLOZEOSA-N 405.926 1.816 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(CC)nn2CC 1865226327 WHAYRKOLECWTCV-SFHVURJKSA-N 424.501 1.928 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(F)cc1)NS(=O)(=O)c1ccccc1[N+](=O)[O-] 1872596139 HXHANGNDOGZIRP-HNNXBMFYSA-N 407.423 1.926 30 10 HDEE C=CCNC(=O)CCNC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 1873841663 ZFJKISMSCYEFGE-UHFFFAOYSA-N 411.506 1.647 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2/N=C/c2cccs2)CC1=O 1874275142 XHDUCTKYEWJWJI-NPLBWUPPSA-N 406.537 1.914 30 10 HDEE C#CCOC1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CC1 1891618299 HGUCZWGSVVRRQX-INIZCTEOSA-N 408.495 1.867 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)cc1 2118167297 NQRLTCSAAXELNW-GOSISDBHSA-N 415.471 1.874 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)C[C@@H]1CCCO1 2157040607 BPWANHGULNYEMI-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[S@](=O)(=NS(=O)(=O)c2cccnc2C#N)C1 2174788208 BZBMNXBENMDOGT-GWQKEKGPSA-N 414.509 1.655 30 10 HDEE CC1(C[S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 2192674750 VBSLCASFAUNOBY-SRGMZFCMSA-N 420.557 1.431 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CNCCN2Cc2ccccc2)cc1Cl 2205556915 ZQVLTHBJRPBYLY-QGZVFWFLSA-N 404.923 1.964 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)CO1 2243406994 JGUXSJDWABDDNM-CYBMUJFWSA-N 407.276 1.595 30 10 HDEE CC(C)(C)OC(=O)NCCONC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243426215 VULGHAFIRUXOLM-UHFFFAOYSA-N 407.276 1.567 30 10 HDEE Cn1cc(C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2255830546 HUFABPIHRLJGDP-GOSISDBHSA-N 424.354 1.971 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](CO)C(F)(F)F)OC1(C)C 2267463591 JCFQZBZLAVWUTM-JTQLQIEISA-N 401.237 1.249 30 10 HDEE C[C@H]1[C@H](O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703815 BYOQRSPVQMLASQ-GXSJLCMTSA-N 407.750 1.845 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCC[C@H]3S(C)(=O)=O)ns2)OC1(C)C 2282002877 VDJIDZNDQJVXQG-CMPLNLGQSA-N 400.331 1.138 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[S@@](=O)CC1 2282321503 XYBOTPDGWYWAEM-RUZDIDTESA-N 419.399 1.499 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H](CO)C1 2282323851 HUXIFEFIUNCLFA-QWHCGFSZSA-N 401.359 1.795 30 10 HDEE CN(CC1CCNCC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282333102 KPEVBJHETMAHDI-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H](F)[C@H]2CCOC2)OC1(C)C 2282336548 FVQUBQBCWCRBDV-WCQYABFASA-N 405.322 1.700 30 10 HDEE CC(C)CN(C1CNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338806 UKNMFESSZKADPK-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CC1(C)CNCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343315 DJPRIHDOAKQDCJ-UHFFFAOYSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CCCCNC2)OC1(C)C 2282497633 SNLIWMHSTFSCBB-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CN(CC[S@@](C)=O)S(=O)(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2282502278 IUISKFHCBGHCTO-RUZDIDTESA-N 405.322 1.124 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@@H](O)[C@](C)(O)C3)sc2Cl)OC1(C)C 2282617893 NAEDOIQHMCTRDN-SJKOYZFVSA-N 401.721 1.659 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@H]3CCCC4(CC3)OCCO4)nc2)OC1(C)C 2282620531 GJBYRBJRVDDFFB-HNNXBMFYSA-N 403.288 1.581 30 10 HDEE CSCC1(C)CN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282836389 JAVNMYFONREQOT-UHFFFAOYSA-N 401.363 1.093 30 10 HDEE CO[C@@H]1C=CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282838394 NZCJKPAVTBDYEE-GFCCVEGCSA-N 400.331 1.159 30 10 HDEE CC(C)(O)[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282848250 LDFICWDTADSULD-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3CC([C@@H](F)CO)C3)s2)OC1(C)C 2282862601 FQVJFIQARSYOGK-MCIGGMRASA-N 405.322 1.435 30 10 HDEE CCC1(NS(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)CNC1 2282871624 JSEFNEIJODPEPV-UHFFFAOYSA-N 400.375 1.694 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H](C)C[S@@](C)=O)c1B1OC(C)(C)C(C)(C)O1 2282871733 LGMSRLPUTIFBIB-REFGNXHDSA-N 421.415 1.709 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284392984 DXRYZTSGHPOEEF-LLVKDONJSA-N 401.315 1.663 30 10 HDEE CCCC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284412746 DMOKHTXUWYJYCR-NSHDSACASA-N 403.331 1.969 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 2365207236 MJWGYUUSVSIBDL-OAGGEKHMSA-N 402.557 1.816 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](OC)C1CN(C(=O)OC(C)(C)C)C1 2367787289 KJYHZVUPTJGVOP-HOTGVXAUSA-N 400.541 1.427 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OC)C1 2367794180 GKGXVAUGKFNZLY-YZVOILCLSA-N 400.541 1.617 30 10 HDEE CC[C@@H](NC(=O)OC(C)(C)C)[C@@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367795117 KWOUGSDNUBGVIE-CXAGYDPISA-N 403.497 1.730 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](C#CC2(S(C)(=O)=O)CC2)OCC(=O)O)C1 2367797976 XQZCLWAXONBREB-KBPBESRZSA-N 401.481 1.294 30 10 HDEE COCCC/N=C(\O)CSc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N 3018545 KYEGPZNLJCJVFW-UHFFFAOYSA-N 400.482 1.352 30 10 HDEE Cc1cc(C)nc(N/C(=N/C(=S)NC2CC2)N2CCN(c3ncccn3)CC2)n1 14160492 DVQXVILZYQNOHJ-UHFFFAOYSA-N 411.539 1.510 30 10 HDEE COc1ccc(C=NNc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)cc1 19879650 REYRJCMBULXYSH-UHFFFAOYSA-N 404.430 1.926 30 10 HDEE COc1ccc(OC)c(/C=N/Nc2nc(SCC(=O)Nc3nncs3)n[nH]2)c1 20228850 ALPPXTSLLFNIRH-OMCISZLKSA-N 420.480 1.850 30 10 HDEE C=CCn1c(SC[C@H](O)CN2CCOCC2)nc2sc3c(c2c1=O)CCC3 38391788 OIXJQJCGTXZLSS-CYBMUJFWSA-N 407.561 1.918 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2csc(Cc3ccc(F)cc3)n2)CC1 65539911 FXCRAMRUWFNKFT-UHFFFAOYSA-N 416.522 1.862 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)c1 96352720 LUSUQEOXYNHYIX-UHFFFAOYSA-N 416.455 1.990 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(S(N)(=O)=O)cc3C)cc2C1=O 446608961 FADHNMMYHMKGFT-UHFFFAOYSA-N 413.455 1.354 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F 446923058 QLAKNFHOQRLSKH-IINYFYTJSA-N 415.397 1.378 30 10 HDEE CO[C@@H]1CCC[C@@H](CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 474206805 AOLLMJYRPSCERS-SJLPKXTDSA-N 405.520 1.986 30 10 HDEE Cc1nc(CC2CC2)oc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 475488257 VGHJDPSNGYJXHC-UHFFFAOYSA-N 414.487 1.954 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1 482836989 OQPXXUMANGBITR-HIFRSBDPSA-N 407.492 1.415 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 498712585 ADWSHNREPOMOFF-QGZVFWFLSA-N 409.534 1.963 30 10 HDEE CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1CC(F)F 498832307 JFCQXNIOAXFPQS-OAHLLOKOSA-N 414.478 1.680 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2c[nH]c3ccc(Br)cc3c2=O)CC1 503608409 GOZYCQDCCUCJQO-UHFFFAOYSA-N 403.236 1.489 30 10 HDEE CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C#N)C3CC3)CC2)cc1 505918305 ZHBARUSDSYNOAR-SFHVURJKSA-N 419.503 1.682 30 10 HDEE COC(=O)c1ccc(N2CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC2)nn1 507280673 LTTUOXQYQAPEPM-FQEVSTJZSA-N 417.466 1.173 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C)CC1 508524386 HVWXEMCADMYWBU-INIZCTEOSA-N 407.522 1.923 30 10 HDEE N#Cc1cnn(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)c1 509808690 VWOQLHZQTHKWKZ-UHFFFAOYSA-N 409.855 1.068 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1 521841649 YDYCKGFOXIOILH-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](c2cccs2)N2CCCC2)CC1 524494859 QRRKQTSLKBLMPP-KRWDZBQOSA-N 405.568 1.514 30 10 HDEE C[C@@H](C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)N(C)CCCc1[nH]nc(N)c1C#N 536343202 GEVNCXKSQGKYCN-FUHWJXTLSA-N 409.538 1.507 30 10 HDEE C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CCN(c2cccc(C#N)n2)CC1 546919324 QSCGOBBHPPAPAD-HKUYNNGSSA-N 421.501 1.762 30 10 HDEE N#Cc1cc(S(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)ccc1F 561549418 HHYNGRDQALMTHP-CABCVRRESA-N 415.446 1.895 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)S[C@H](C)C1 572017983 ITOBOTUOWMBSBL-MJBXVCDLSA-N 401.558 1.127 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CC[C@]2(CNC(=O)C2)C1 583947215 DRRDXKJKZNPMBQ-QFIPXVFZSA-N 419.489 1.485 30 10 HDEE N#Cc1cccc(OCC2CCN(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)CC2)n1 585533695 IHUVPKRVLOTWTC-KRWDZBQOSA-N 412.490 1.598 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)C1=O 587866631 HBMUIAZOBGTTCL-WIEQDCTASA-N 413.453 1.360 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)cc1 610233223 XLRRNMACTYKLRN-UHFFFAOYSA-N 409.471 1.844 30 10 HDEE N#Cc1cc(C(=O)N2CCN(c3ccccc3S(N)(=O)=O)CC2)ccc1Cl 615488739 CCDWTZJFRDVNPP-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)c2ccc(I)c(C(=O)O)c2)C1 694591715 RLZZRZWRLTWORA-MRVPVSSYSA-N 406.201 1.524 30 10 HDEE CC(C)[C@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)S(=O)(=O)C1CCCCC1 732155717 DCAPNVGIQHPBGH-GROYHEBESA-N 411.524 1.401 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(N2CCN(CC)CC2)c(F)c1 741344490 WCOOHALSKALZNF-AWEZNQCLSA-N 406.458 1.525 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)CC1 747736712 MVNFZPBLTOGEJA-LJQANCHMSA-N 413.493 1.595 30 10 HDEE COc1ccccc1N=C1S[C@@H](CC(=O)NCCN(C)C)C(=O)N1CC(F)F 751924889 PBNAAFZPEZUMPP-AWEZNQCLSA-N 414.478 1.960 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCC=C)sc(=Cc2ccccc2OCC2CC2)c1=O 758057984 IVAKKSJYIDQKRS-UHFFFAOYSA-N 419.506 1.137 30 10 HDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)OC1CCN(CC#N)CC1 770784734 VWKGTVPYOINZOH-CYBMUJFWSA-N 410.452 1.570 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCC(C)(C)O)C1=O 774267418 URWCIPAYAYGHSD-MRXNPFEDSA-N 406.552 1.847 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@]3(C2)OCc2ccccc23)c1=O 774699665 AJYDQBODDLWCMY-JOCHJYFZSA-N 410.474 1.023 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccccc2C#N)[C@@H](C)O)cc1C 777291462 SMAXQJSECAJHDF-DNVCBOLYSA-N 402.472 1.946 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])c(OC)c2)c1 778768434 ZGTCAIGLALZYRJ-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE COc1ccc(C(=O)NC(=O)COC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)cc1 780176769 JPRUNBBDQTWPRO-FQEVSTJZSA-N 404.419 1.756 30 10 HDEE C#CCCN1C(=O)[C@H](CC(=O)NCC(F)(F)F)SC1=Nc1cnn(CC)c1 783005508 CYFBWGUNBZJTCO-LBPRGKRZSA-N 401.414 1.926 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cn2cnc3sc(C)c(C)c3c2=O)n1 788811222 SJBWSULWQUNFCH-UHFFFAOYSA-N 413.503 1.580 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCC[C@@H](CC(N)=O)C1 800775233 JKMRQGBIXDIZRC-KRWDZBQOSA-N 412.494 1.982 30 10 HDEE C#CCCS(=O)(=O)NC(=O)[C@@H](c1cc(Cl)cc(Cl)c1)N1CCOCC1 810785051 VQULCOVDDIZIFD-OAHLLOKOSA-N 405.303 1.836 30 10 HDEE COC[C@H](C#N)OC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 811363139 NBZPDKXYKMJKNX-REHMSVCESA-N 406.438 1.548 30 10 HDEE Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N[C@@H]1CCN(O)C1=O 816693671 PPNJFAMPFVDHKE-QGZVFWFLSA-N 403.460 1.193 30 10 HDEE CC(C)(C(=O)N[C@H]1CCN(O)C1=O)S(=O)(=O)c1ccc(Br)cc1 820179908 RMNSVZMSLRPPAD-NSHDSACASA-N 405.270 1.108 30 10 HDEE COc1ccc(C(=O)N2CCC(NC(=O)[C@H](C)n3cnc(C#N)n3)CC2)cc1OC 1116917263 XFQOQCDRHDSFGW-ZDUSSCGKSA-N 412.450 1.149 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 1124739536 RKIKXFQYUOQTDB-IBGZPJMESA-N 407.536 1.607 30 10 HDEE N#C[C@]1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C[C@H]2CC[C@H]1C2 1135772490 ALRCCRDKLSLEMI-ABSDTBQOSA-N 403.504 1.654 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CC(=O)NCc2ccc(C(=O)NO)cc2)C1 1139232317 IIYHIGNEWBPELD-HXUWFJFHSA-N 407.467 1.574 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cccc(N3CCN(CC4CC4)CC3)c2)c(=O)nc1O 1142197326 FMFMNOJSJSBEJJ-UHFFFAOYSA-N 422.489 1.381 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1Br 1142969027 GJBYNVVMZSNFFQ-OAHLLOKOSA-N 405.296 1.875 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)CCCCCS(N)(=O)=O)CC2)c1 1143184154 QJZPQQLNXYLENR-UHFFFAOYSA-N 406.508 1.584 30 10 HDEE CC(C)(C)OC(=O)[C@]1(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)CCCO1 1143528017 BCDKHCQJQXUIPE-OAQYLSRUSA-N 400.479 1.929 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NOc1cccc(C#N)c1 1151424559 DYWMJFLZGZRUFO-UHFFFAOYSA-N 401.444 1.611 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 1159762386 NYXXUQLQYUQQKI-ZFWWWQNUSA-N 402.447 1.690 30 10 HDEE C#Cc1cccc(CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c1 1161804152 RTGBSQZWEZXAAO-UHFFFAOYSA-N 405.863 1.015 30 10 HDEE C=CCC1(NC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CCOCC1 1165728251 MMIMOHKYVBBJDS-KRWDZBQOSA-N 403.479 1.788 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)c2ccc(I)cc2)c(=O)n1C 1166615406 UQRFOYIACMULGQ-UHFFFAOYSA-N 409.183 1.215 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCC3(S(=O)(=O)CC)CC3)ccc2c1=O 1167563468 SWKMLHCJHSGYAT-UHFFFAOYSA-N 407.517 1.568 30 10 HDEE C#CCN(CC(=O)N1CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C1)C(=O)OC(C)(C)C 1168015314 GLMHGJREMKWNMM-OLZOCXBDSA-N 405.417 1.772 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N1CCC[C@@H](CC#N)C1 1171910887 AYWSUZACBUXWGD-CABCVRRESA-N 408.524 1.898 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N[C@@H](c1cccc(C#N)c1)C(F)(F)F 1175353742 CFRUKNBFZFVXIS-HNNXBMFYSA-N 414.384 1.919 30 10 HDEE COc1ccc(CNC(=O)CCN2CCN(c3ccc(C#N)nc3)CC2)c(OC)c1 1175935276 KNMBXQZQBLSVJG-UHFFFAOYSA-N 409.490 1.799 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1176070141 MLETWGOZEKBTCV-MRXNPFEDSA-N 409.939 1.518 30 10 HDEE Cc1ccc(NCCNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)nc1 1178603362 OEXMUFCJLOOLMI-KRWDZBQOSA-N 406.446 1.695 30 10 HDEE C=C[C@@H]1OCC[C@H]1NCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CC 1194410037 OOCRHBCMXGTPJW-APWZRJJASA-N 420.535 1.510 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(C)c(OCC(F)F)c2)CC1 1199613774 CZBZZWLULBWODQ-UHFFFAOYSA-N 416.450 1.256 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)C3)CC2)cc1 1209518259 GVFAXZHODHUPRA-PKOBYXMFSA-N 403.548 1.669 30 10 HDEE C=C1CCC(CNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 1213651880 MHIYONBOQNYCCR-IBGZPJMESA-N 407.492 1.775 30 10 HDEE Cn1cc(CNC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c(-c2ccc(C#N)cc2)n1 1233990587 IVMLTBZOIMCKCO-VQTJNVASSA-N 408.506 1.699 30 10 HDEE Cc1ccc(CN2CC[C@@H](NC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)C2)cc1 1235507105 MTXKRSTXBDSBSS-NSHGMRRFSA-N 402.520 1.149 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCOC[C@H]3C(=O)OC(C)(C)C)cc2C1=O 1279053631 QDHIIGYHGSJRQJ-INIZCTEOSA-N 400.431 1.651 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCOC2(CCOCC2)C1 1286612275 XUHKXINCLKTMQD-UHFFFAOYSA-N 419.526 1.379 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1286711943 RNOPOXKLZUFOIM-QGZVFWFLSA-N 401.515 1.435 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(COC)CC2)nnc1[C@@]1(OCC)CCOC1 1286792708 GBPUOLDLLJTJKI-HXUWFJFHSA-N 407.515 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1C[C@H](OC)C(C)(C)C1 1286822613 LPPJYLBVIMCGAS-KRWDZBQOSA-N 419.551 1.726 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)COCCO1 1286971364 VRINNMYYSQDETF-KUHUBIRLSA-N 418.523 1.671 30 10 HDEE C[C@@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)CCCO1 1291278809 CJOQNKMSFWGIQQ-ZHRRBRCNSA-N 424.505 1.822 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)c1 1293734044 OAGNNXYGZMIQKL-KRWDZBQOSA-N 424.478 1.941 30 10 HDEE CN1CCN(CCn2c(-c3cccn3C)nnc2N2CC[C@@](F)(C#N)C2)CC1(C)C 1298896258 GUMYCPQXJVETPJ-OAQYLSRUSA-N 414.533 1.752 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)C1 1299333189 HEEQWUZAMVDFLV-QGZVFWFLSA-N 420.477 1.875 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C1CC1)[C@H](C)C(=O)OC(C)(C)C)c1cc[nH]n1 1299470175 HEFIPJPTBIVUMG-GFCCVEGCSA-N 408.455 1.415 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)C 1300303241 HTXHXOHOPSJWHH-CQSZACIVSA-N 407.478 1.824 30 10 HDEE C#CCCCn1c(Cc2ccncc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1300417355 SUKNTPDAEHMYCL-QGZVFWFLSA-N 419.493 1.209 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1300417706 ZJHVWVBJLOXBDN-INIZCTEOSA-N 424.534 1.876 30 10 HDEE C#CCSCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@H](CNC(C)=O)C1 1300756829 UVRXKFYBLBVPCE-QGZVFWFLSA-N 414.535 1.356 30 10 HDEE C#CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](CC(N)=O)C1 1300769918 MBIMYCDGQAKCHM-QGZVFWFLSA-N 415.567 1.598 30 10 HDEE C=C(Cl)Cn1c(CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1301044178 GHDPOVVWZWPBRA-AWEZNQCLSA-N 403.936 1.224 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(=O)N(C)C)CC1 1301072832 SYBFAKPELLTFOY-UHFFFAOYSA-N 403.508 1.593 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C2CCCC2)CC1 1301479168 VIPDDFIHWBCXSC-UHFFFAOYSA-N 417.558 1.173 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCCC2(C)C)C1 1301554364 FKUSTLCGCUFNJO-WHSLLNHNSA-N 403.527 1.952 30 10 HDEE CC(=O)NCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)C[C@@H](C)C#N 1301922163 GLTIGHZFFRCDDC-AWEZNQCLSA-N 422.493 1.314 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(F)cc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1302586049 YTBQXGVMKLEMPG-OLMNPRSZSA-N 412.465 1.910 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC2(CC1)C[C@@H](O)CNC2=O 1302836478 KTOKLUFYBLLTNV-KGLIPLIRSA-N 415.918 1.512 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1302954193 HTQGAUNLUJSBKA-QFIPXVFZSA-N 422.537 1.548 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCOC3)n1CCCCCCO)C2 1302989637 NJXMUGRXHAYTRP-OAHLLOKOSA-N 412.494 1.870 30 10 HDEE CC(C)NC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1303450504 JCDXJWABEBBPKZ-UHFFFAOYSA-N 408.510 1.663 30 10 HDEE C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1308099296 FGPOXNUCJCBSAN-UVFQYZLESA-N 401.488 1.822 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1[C@H]2CCC[C@H]21 1314558736 LWIAJOHOGZNLOU-PIIMJCKOSA-N 414.535 1.991 30 10 HDEE CC[C@H](C)[C@H](NC(=O)c1ccc(C#N)c(OC)c1)C(=O)NCCN1CCOCC1 1356424194 IBIZQAQKTCFTDS-KXBFYZLASA-N 402.495 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](Cc1ccccc1)OC 1358890780 VQZWCVKCJSXQOH-WDSOQIARSA-N 416.547 1.896 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1358979357 KGNMEUPNYHDDBZ-UHFFFAOYSA-N 401.511 1.843 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)N1CCOCC1 1359010118 HBXKDVSGQLFJCJ-GOSISDBHSA-N 411.462 1.109 30 10 HDEE C=C(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N(C)CCNS(C)(=O)=O 1359118306 ATBPSTKKSGHQFE-UHFFFAOYSA-N 409.512 1.524 30 10 HDEE C=C(C)COCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1CCC1 1359133617 WHBJLKJGMFWQFH-INIZCTEOSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C(=O)NC)CC1 1359298883 OQIHNSPNOPOPFE-UHFFFAOYSA-N 422.493 1.190 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@H](C)[C@@H](O)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1359872329 BIVQJKAZLKJAIY-JVNIUBFMSA-N 402.499 1.210 30 10 HDEE CCN1C(=O)C[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)[C@@H]1c1cccc(C)c1 1439615867 OIMLXIOUVSEIMY-NZGUISNBSA-N 415.515 1.301 30 10 HDEE CSc1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1-c1ccc(F)cc1 1439798278 UGJHFVZMJTXWQJ-KPZWWZAWSA-N 420.491 1.744 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]([C@@H]2CCOC2)C(F)(F)F)ccc1F 1439853748 AKFKNVXRMSHKTK-BXUZGUMPSA-N 410.389 1.987 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1443084919 AHMSLYOHFCJELT-DYVFJYSZSA-N 403.483 1.312 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H](CCO)c2cccc(C(F)(F)F)c2)c(=O)nc1O 1450022014 BXMIXAMYBQXLSD-AWEZNQCLSA-N 410.352 1.469 30 10 HDEE C=CCCn1cc(C(=O)N2CCN([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)nn1 1450835593 WHKWIHATCGWMOY-INIZCTEOSA-N 404.515 1.621 30 10 HDEE C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457205452 YCVDWFRSECGUBY-VIFPVBQESA-N 409.229 1.978 30 10 HDEE COC[C@@]1(C)CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)CCO1 1460567002 HSPAHAHQSGKFHO-TZIWHRDSSA-N 404.486 1.272 30 10 HDEE CCc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N1CCO[C@H](C#N)C1 1467002206 DVYMBARIFXUEFZ-OAHLLOKOSA-N 408.480 1.026 30 10 HDEE COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCc3ccnc(C#N)c3)CC2)cc1 1467722224 FIQHKNQVXCDKMN-SREVYHEPSA-N 405.458 1.483 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)C[C@H](O)CNC(=O)OC(C)(C)C)c1 1468184172 YEUMMHIQPLLUQN-MRXNPFEDSA-N 424.519 1.441 30 10 HDEE N#Cc1cn(CCNC(=O)c2cc3c(F)c(Br)ccc3[nH]2)c(=O)nc1O 1470365618 JJOPEWLUIWIELC-UHFFFAOYSA-N 420.198 1.633 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCCO)CC3)n[nH]2)c1C 1470642137 BMROBLDNVHCRRI-UHFFFAOYSA-N 400.483 1.037 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCC#C[C@H]1CCCCO1)c1ccc(S(C)(=O)=O)cc1 1472312037 TZWMMZTVNIWWII-XLIONFOSSA-N 406.504 1.130 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](N2CCN(C(=O)CC#N)CC2)[C@@H](O)c2ccccc21 1473482596 BRXUOBPGPSKTEK-HKUYNNGSSA-N 400.479 1.902 30 10 HDEE COc1ccc2ccccc2c1CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1479274690 TZAXZOUDQBUMAX-UHFFFAOYSA-N 419.441 1.791 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)CC1 1504522101 DFWRGBCIKJHWNC-MSOLQXFVSA-N 415.519 1.437 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1507678342 WICYXWUKTYROFT-UHFFFAOYSA-N 424.549 1.756 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1507679167 HLXBCATUVHSOTF-OAHLLOKOSA-N 419.551 1.624 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1CCCn1ccnn1 1507711231 RECLMSOKCREJIH-LJQANCHMSA-N 423.477 1.558 30 10 HDEE C#CCSCCn1c(N2CCC[C@H](CC(N)=O)C2)nnc1[C@]1(OCC)CCOC1 1507757919 DMUJQBGCOXRMGN-UZLBHIALSA-N 421.567 1.388 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)OCCOC)nnc1N1CCN(C)C(=O)[C@H]1C 1507809881 XSFNJBNCJARVRU-XDNAFOTISA-N 421.542 1.650 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@H]2C1 1507838253 NTDVVJBUHYTTTQ-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1507865637 GBTYKTAYYWLRTH-NSHDSACASA-N 415.807 1.992 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@H](C)c1cccc(O)c1 1508070804 DGSMEPPXAOVUTN-OAHLLOKOSA-N 412.494 1.719 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(Cc2ccccc2)C[C@@H]1C 1508135736 ORNXUWLEMCRXJY-KRWDZBQOSA-N 403.552 1.898 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CC2CCC(OC)CC2)CCOC1 1516219146 CXRMIVNXFWUYJE-PKZBPHAMSA-N 419.526 1.864 30 10 HDEE Cc1nn(-c2ccccn2)c(C)c1CC(=O)N1CCN(c2nccnc2C#N)C[C@H]1C 1525869369 DXLFSQQUQHQLIC-OAHLLOKOSA-N 416.489 1.826 30 10 HDEE CO[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C 1526128622 AWYWNXHTQARUAT-BEFAXECRSA-N 405.520 1.842 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](c2ccc([N+](=O)[O-])cc2)C(F)(F)F)C1=O 1530768299 BENSDIZWZMHWSJ-GFCCVEGCSA-N 415.280 1.718 30 10 HDEE COC(=O)CCN(CC#N)C(=O)Cc1csc(NC(=O)c2ccccc2F)n1 1532450554 WRFHBOAGZNZMLT-UHFFFAOYSA-N 404.423 1.992 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCN3C3CCOCC3)CC2=O)cc1Cl 1538587596 WPQBUEORMFFOOP-MAUKXSAKSA-N 416.909 1.934 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1539118715 DSIGBACOCVQJTB-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1=CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539221478 OOPRDWXMUXWMOP-QZTJIDSGSA-N 420.535 1.146 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(OC)c(OC)c1 1539259267 BURRHFGHZWDEPI-KRWDZBQOSA-N 407.474 1.562 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCN2CCCC[C@@H]2C1 1539489831 OTDVRJKMMNCMFW-QGZVFWFLSA-N 402.568 1.555 30 10 HDEE C#CCSCCn1c(COc2ccccc2OC)nnc1N1CCN(C)C(=O)C1 1539527255 YZRCTNGFCIIRCF-UHFFFAOYSA-N 415.519 1.511 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539736118 SNPOMMUXEPDGOD-GOSISDBHSA-N 407.478 1.623 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 1540324001 SZWYFFDXFGSTRY-ZDUSSCGKSA-N 407.430 1.803 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccccc3F)n2CC(=O)N(C)C)C1 1540896798 UCCZOTRWVGVXRC-HNNXBMFYSA-N 403.458 1.866 30 10 HDEE CC(C)C(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1541277211 BMRWSRPEYMGKIC-AEFFLSMTSA-N 415.542 1.121 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1541801890 GODSMLTVZWYYEZ-LBPRGKRZSA-N 408.484 1.179 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1543267624 GHTWZGJXVHAGLZ-PPXVZNSRSA-N 413.540 1.665 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)OC(C)(C)C1 1554504402 CSPBBCSWJKXNTO-CQSZACIVSA-N 418.523 1.370 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N(C)C[C@H](C)C#N 1554507284 JOWHVBSCYXNJJT-GFCCVEGCSA-N 412.466 1.292 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1555267279 SIBJZLYJAYHAEB-KSSFIOAISA-N 400.458 1.858 30 10 HDEE N#C[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2Cc2cccc(O)c2)CCO1 1555994311 HGMNHPJULGEVEP-MRXNPFEDSA-N 424.486 1.752 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(NC(=O)N(C)C)c1 1556650295 FHURIGXSUMHRDY-ZDUSSCGKSA-N 415.475 1.957 30 10 HDEE CN(C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)[C@H](c1ccccc1)c1nc[nH]n1 1556949878 AXRWXVJJJMBZFQ-LJQANCHMSA-N 409.471 1.839 30 10 HDEE CC(C)(NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(C#N)c1 1557469121 YNFXRXAZPZGKGF-QGZVFWFLSA-N 421.906 1.902 30 10 HDEE N#Cc1cn(C2CN(C(=O)COc3ccc(Oc4ccccn4)cc3)C2)c(=O)nc1O 1558805685 SVBMPEOZTIEPFD-UHFFFAOYSA-N 419.397 1.470 30 10 HDEE COC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)C1CCOCC1 1564547968 ZJBPLVDVLVMXPJ-OALUTQOASA-N 400.479 1.794 30 10 HDEE CN(C)CCN(Cc1cccc(C#N)c1)C(=O)c1ccc(S(C)(=O)=O)cc1N 1583966239 IEZIHLISUDZHHN-UHFFFAOYSA-N 400.504 1.748 30 10 HDEE Cc1c(C#N)c(NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)nn1C 1584807799 NUYGLNATMYBGFI-UHFFFAOYSA-N 422.898 1.688 30 10 HDEE CO[C@H](C(=O)NCCN/C(O)=C1/N=CC=CC1=O)c1ccccc1Br 1585296264 KBIZPNPLCMHQEL-RIBQPWQFSA-N 408.252 1.779 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(C#N)c(OC)c2)ccc1OC 1586487663 IAOVIOPGJYZATA-UHFFFAOYSA-N 419.459 1.752 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCN(C)C(C)C)[C@@H]1CCS(=O)(=O)C1 1588058711 AYXCVIGHSAFBBQ-QGZVFWFLSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1nnc2n1CCCCC2 1588120496 NPUMJXXYAAVFRZ-UHFFFAOYSA-N 403.494 1.312 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1593636707 QLOFOOGIIPUZRR-BFHYXJOUSA-N 404.558 1.014 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2CCOC[C@@H]2C1 1594521924 TZUQILZQNPADSU-KRWDZBQOSA-N 402.543 1.524 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 1595505799 PEJDBTQXGAUYII-ICSRJNTNSA-N 419.547 1.219 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1595555572 CUFGHOSCKBKNLC-GOSISDBHSA-N 420.521 1.813 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCOC[C@H]1C 1595784991 PJUQBHJOJDTDIA-OAHLLOKOSA-N 406.508 1.780 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1595896387 YLVXAKQNNDYGLW-OAHLLOKOSA-N 404.540 1.623 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CC2(C(N)=O)CCOCC2)C1 1611771038 QJWICJLDQNVTAX-DNVCBOLYSA-N 402.499 1.542 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(c3cc(F)c(C#N)cc3[N+](=O)[O-])CC2)cc1 1611772880 PINBQMBHDQDIDR-UHFFFAOYSA-N 415.406 1.988 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)n1 1612495804 RWZAPNCTUUGTGP-HNNXBMFYSA-N 408.466 1.354 30 10 HDEE CCc1nnc(N2CCOC[C@@H](C3CCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1614050630 MAHHCJFQHXNPID-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE CN(C)c1ncc(CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1C 1616229795 BSCOMGNBUKTYEW-FAGJFJLWSA-N 416.526 1.889 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)cc1 1616471072 COQBDPDUMBPJSD-GOSISDBHSA-N 401.507 1.388 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NCc1cc(-c2ccc(F)cc2F)on1 1622516857 DBYHBIKTGRWFTA-UHFFFAOYSA-N 400.407 1.816 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CNS(C)(=O)=O 1625006021 JLTZEKNPCVWMJP-ZIAGYGMSSA-N 423.963 1.953 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1631450433 QUDIFXPYHPIEFV-KRWDZBQOSA-N 403.479 1.052 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCC3)[C@@](F)(C(=O)OCC)C2)c1 1632678308 IXZDYVVCAUTGRO-FQEVSTJZSA-N 422.478 1.496 30 10 HDEE CCOC(=O)[C@@]1(F)CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC12CCC2 1632678346 KKRPWIUQBPMISX-FQEVSTJZSA-N 422.478 1.757 30 10 HDEE C[C@@H]1COCCN1CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633002049 JHAWFDLCFXGBTE-HRXNXTQESA-N 406.527 1.610 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](N(C)C)[C@H](SC)C2)s1 1633120892 GUMWRPZDPSZQSP-UONOGXRCSA-N 403.595 1.259 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(C)COc2ccccc2O1 1633844386 QVRKJFOPLFIROQ-VBKZILBWSA-N 415.471 1.571 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(C)c(CC)nc3ccccc23)CC1 1636480727 WORMNUFQWDUGLK-UHFFFAOYSA-N 400.504 1.331 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2ccccc2OC)s1 1637131104 CPVZLNXXVODICT-OAHLLOKOSA-N 410.517 1.613 30 10 HDEE COc1ccc(C[C@@](C)(NC(C)=O)C(=O)NCC#C[C@H]2CCCCO2)cc1OC 1637186547 WFKSRVIPJDWGAQ-XMSQKQJNSA-N 402.491 1.830 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2cc(Cl)cc(Cl)c2F)CC1 1637718906 OSYBFGYOTITMER-UHFFFAOYSA-N 423.297 1.427 30 10 HDEE CNS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cc1 1639701705 BQPGMFSRDGSXRL-CQSZACIVSA-N 413.459 1.426 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccccc2)c2ncon2)cc1 1640352809 SGYRCLVDYHGTAF-SFHVURJKSA-N 410.455 1.695 30 10 HDEE N#CCCCn1cc(C(=O)N2CCS(=O)(=O)[C@H]3COCC[C@H]32)c2ccccc21 1642373426 NGFMYGZCAFWASS-MOPGFXCFSA-N 401.488 1.973 30 10 HDEE CS(C)(=O)=NS(=O)(=O)N1CCN(Cc2ccc(C#N)cc2C(F)(F)F)CC1 1643094202 YDXBYDZUAHMJDM-UHFFFAOYSA-N 424.470 1.667 30 10 HDEE CC(=O)N[C@@H]1CCN(CC(=O)Nc2c(C#N)c3c(n2C[C@H]2CCCO2)CCCC3)C1 1643496455 HSLLOHAAHDUULQ-IAGOWNOFSA-N 413.522 1.566 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O)C(=O)OCC 1643588997 GZBWTRVXLCJEJP-QRWLVFNGSA-N 421.881 1.953 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 1644001006 TURWUQVSYOTUCL-UHFFFAOYSA-N 412.515 1.466 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)NC3CCCCC3)CC2)c1 1644817670 QBZVCOZRJPZIPW-UHFFFAOYSA-N 411.506 1.976 30 10 HDEE COC(=O)CCN1CCC[C@@H](N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1=O 1644922470 XHADQJCWMWAOEK-LJQANCHMSA-N 412.490 1.763 30 10 HDEE C#CC1CCN(CC(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)CC1 1646385552 MNIZWKBROHBPFG-UHFFFAOYSA-N 403.548 1.823 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n[nH]2)c1C 1648155221 ATFNOFFYEAQOEK-IFXJQAMLSA-N 414.491 1.086 30 10 HDEE CNC(=O)N(C)c1ccc(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cc1 1651064871 CRRYCFHTHIIIIX-UHFFFAOYSA-N 401.448 1.251 30 10 HDEE C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)Cn1cc(C#N)c(I)n1 1652061256 WREZGDKUNDJNPF-MWLCHTKSSA-N 415.235 1.764 30 10 HDEE C#CCN1CCN(C(=O)COc2cnc(Cl)cc2I)CC1 1652136213 KQOVRVDPHCMWBA-UHFFFAOYSA-N 419.650 1.496 30 10 HDEE CCc1noc([C@H]2CC[C@H](NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)C2)n1 1653186848 YYJYCTDHLCPPNB-KBPBESRZSA-N 403.464 1.234 30 10 HDEE C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN(C)CCc1cccc(C#N)c1 1659860794 BEPAQXFOYAEWOW-OAHLLOKOSA-N 412.515 1.658 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(C(=O)OCC)cc1 1661543962 GWFHONXFRWHTTR-INIZCTEOSA-N 401.506 1.368 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(C)C)c1)C(=O)OCC 1665796857 FIBAKBZMGBQRCD-HNNXBMFYSA-N 404.510 1.113 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 1666603712 ILSVMAXTSYWVHB-MRXNPFEDSA-N 424.544 1.350 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1666684320 LQFVKSQRLXWPGR-DTDBQYNISA-N 409.508 1.950 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C1 1669252213 AILFPKQABBFKEK-CQSZACIVSA-N 418.441 1.746 30 10 HDEE C=C(C)CN1CCC(NC(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)CC1 1678370528 PLSREVUCQRCXIL-SFHVURJKSA-N 415.604 1.281 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC)c2cc(F)ccc2F)CC1 1679397966 HKWYKYZWKAOZKG-INIZCTEOSA-N 400.451 1.211 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 1681226126 BZBXQCZFGMCWIW-SJORKVTESA-N 416.478 1.960 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)[C@@H]2C1 1682226125 CMPOGUXBNCXBGM-QQXKLLMISA-N 410.474 1.546 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1689887136 PYAOIGLJOKINMY-MSOLQXFVSA-N 400.527 1.191 30 10 HDEE C#CCCCn1c(N2C[C@H](C)[C@H](N3CCN(C(C)=O)CC3)C2)nnc1C(C)(C)C 1689941522 QWUBBAYWEADHRT-PKOBYXMFSA-N 400.571 1.978 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2nccs2)CC1 1690142824 UVZGTIUOJAWBHH-UHFFFAOYSA-N 410.507 1.149 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(O)cc1 1690206170 IVOZHQJFECJVCQ-OXQOHEQNSA-N 400.504 1.926 30 10 HDEE C=C(C)COCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)C1 1690302356 BYEALHGAGQCJOF-UHFFFAOYSA-N 423.315 1.575 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1690364796 XRXMEYRZYFPHQQ-RDJZCZTQSA-N 424.571 1.303 30 10 HDEE C=CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@@H](C)C1 1690484630 AJNBDDMSGLRWHT-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1690723259 MCKTYKOWIQNURX-HZPDHXFCSA-N 407.540 1.394 30 10 HDEE CCN(CCC#N)C(=O)CN[C@@H]1CCCCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1691625804 NXJITMQECXMEJI-KKEPMVJESA-N 402.539 1.533 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1694820357 RZEOJSPZERPJAO-SIRIWSTISA-N 424.509 1.830 30 10 HDEE CCOC[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1696377837 RJEHAMTWEXUORS-GJZGRUSLSA-N 419.507 1.556 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC1([S@@](C)=O)CCC1)[C@H]1CCS(=O)(=O)C1 1705569002 BROZNMVZAOVONO-RKOGDMNLSA-N 424.592 1.159 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccccc1 1705583418 XUYGGJGWPHOJFW-UTKZUKDTSA-N 412.515 1.161 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1705612620 KTCRJJUBGGCNLH-KRWDZBQOSA-N 400.504 1.718 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCS(C)(=O)=O)CC1 1705644213 JCKDMNAWZOILPJ-HNNXBMFYSA-N 409.556 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@](C)(O)CCOC)CC1 1705644349 NSQWGWWETOJSQV-HRAATJIYSA-N 405.543 1.545 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1705943488 CCDZNCAQXPRGLQ-GJZGRUSLSA-N 422.555 1.863 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCN(C)C1 1706462156 AZYAKZLDQCOLIM-NRFANRHFSA-N 417.558 1.347 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1708295770 CNAIFZKPNOHFJW-CJNGLKHVSA-N 411.466 1.237 30 10 HDEE CNS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1 1711425091 ZOQLUFUYIRUAME-KRWDZBQOSA-N 408.553 1.610 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1711952432 FKXFNFPWDMJNPR-SFHVURJKSA-N 419.482 1.973 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1Cc1ccc(OC)nc1OC 1722290962 HKYCYYCDCNNTMZ-CYBMUJFWSA-N 424.461 1.924 30 10 HDEE C#CCCCCn1c(CCOc2ccccc2)nnc1N1CCS(=O)(=O)CC1 1722317717 IGFXLTQWEYJAHT-UHFFFAOYSA-N 402.520 1.938 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H]1CCCS(=O)(=O)C1 1722349291 IFOOWOBWTITXFH-HNNXBMFYSA-N 416.503 1.611 30 10 HDEE C#CCN(CC#CC)c1nnc(CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1722397954 XVDYLWGBADKKPN-MSOLQXFVSA-N 403.552 1.508 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCOCC1 1722517960 QQBOOOFXLZPZOM-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCCCn1c(CC)nnc1N1CCN(c2cc(N3CCOCC3)ncn2)CC1 1722616075 JJQXDSIWPZPABV-UHFFFAOYSA-N 412.542 1.760 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c(c1)OCCO2 1722631786 WSFXLJRPJROJHJ-CQSZACIVSA-N 421.523 1.524 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)C)C1CC1 1722646715 UORATLLCHWGVPA-UHFFFAOYSA-N 421.509 1.990 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CC=CCO1 1740546835 LKYSQFAQDDLSEX-JKSUJKDBSA-N 404.474 1.995 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccn(CC)c1=O 1740647589 WKKLENONAPZZQT-HSZRJFAPSA-N 423.517 1.623 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1740683316 BOEXMEVNGBXKEN-QGZVFWFLSA-N 403.508 1.393 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2CCc2cn[nH]c2)CC1 1740708683 ZBKGGVRPCLKLGV-UHFFFAOYSA-N 423.546 1.862 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1740750531 RGZRXLZGOBLYOD-JHJVBQTASA-N 415.288 1.398 30 10 HDEE C=C(C)Cn1c(N2CCC(S(C)(=O)=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1740785131 LCVZXLBBRLOVDH-LJQANCHMSA-N 412.556 1.908 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cs2)CC1 1740960251 OASVFGFGHNKTNG-HNNXBMFYSA-N 417.539 1.176 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1748045725 JZKMGSNOYUUXPT-BEFAXECRSA-N 400.870 1.806 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCN2CCOCC2)C1 1748315333 BNLQFKVMBZQXQM-IBGZPJMESA-N 424.505 1.538 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@](C)(O)CCOC 1748784469 NKDBOYHSYVWVIQ-JOCHJYFZSA-N 424.505 1.532 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1c(F)cccc1Cl 1748826184 OLRCQOHRBWKGRG-CYBMUJFWSA-N 423.901 1.802 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Cl)c2)n1CCCNS(C)(=O)=O 1748831716 UYVVYLXJXWKFDF-UHFFFAOYSA-N 405.911 1.611 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnccn2)n1CC1CCN(C(=O)OC)CC1 1748886848 NMVNOMLUSRHVLM-UHFFFAOYSA-N 407.478 1.676 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CCc3ccccc3)n2CCC(=O)NC)CC1 1749015728 LKOHJRTWFPIVJF-UHFFFAOYSA-N 422.533 1.165 30 10 HDEE C=C1CCN(c2nnc(-c3cccn3C)n2CC2(O)CCS(=O)(=O)CC2)CC1 1749299829 ZFDGTNIMZCZUNN-UHFFFAOYSA-N 405.524 1.380 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@]1(O)CCOC1 1749825394 ZQVWMCLIQNPVOT-IBGZPJMESA-N 416.438 1.371 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)C1(NC(C)=O)CCCCC1 1757834006 YHRSZJDEVBLGNK-QQXKLLMISA-N 403.523 1.665 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN1C1CCCCC1 1760162737 FPACTPIGCNWQBO-FUHWJXTLSA-N 422.599 1.755 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1CCO[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1760189412 UGXCTDHQPLCUTE-JFIYKMOQSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1CCS(=O)(=O)CC1 1760197368 UZELGOCIPNGOPM-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[C@H]1CCOC1 1760206307 WEAPGQSSHJQBQR-IBGZPJMESA-N 419.533 1.952 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1NC(=O)CC1(C)C 1760244717 FBIQVVSYXWJIHW-GOSISDBHSA-N 411.506 1.954 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CC(=O)Nc2ccc(F)cc2)CC1 1760257624 BRLBIXUWUBLYLE-UHFFFAOYSA-N 407.453 1.806 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCN(C)c2ccccc2)CC1 1760259664 FRQNWTJHBOFEKX-UHFFFAOYSA-N 402.506 1.627 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CC2(S(C)(=O)=O)CC2)CC1 1760270548 ZDFISTIAEJQRIM-UHFFFAOYSA-N 419.551 1.089 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1760371636 GNMJTSJCVSSHSK-CQSZACIVSA-N 413.873 1.625 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(F)(F)F)CC1 1760389161 DXMLONNEWRGLBT-GFCCVEGCSA-N 409.434 1.330 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760524411 XBVBLBJWHDUOET-ABHNRTSZSA-N 418.542 1.705 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1760528695 KFLBUWNTFJHMGC-IAGOWNOFSA-N 414.514 1.482 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CC1(O)CCOCC1 1761358721 CYSQBWIXYXUZLY-HNNXBMFYSA-N 413.478 1.996 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1765922997 LXAYTRQRRZTONP-RDTXWAMCSA-N 415.441 1.331 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN(CC)C(C)C)CCOC1 1767481101 AMVPCOCFNXYYGH-FXAWDEMLSA-N 406.531 1.389 30 10 HDEE CN(C)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1768518996 XEFOWKBGFHIJAJ-RTBURBONSA-N 423.521 1.110 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1770788584 NBJDVYYDCZVTND-INIZCTEOSA-N 421.498 1.815 30 10 HDEE NC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)ON1C(=O)c2ccccc2C1=O 1772789417 FQOANNIABXIRPY-AWEZNQCLSA-N 415.789 1.068 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)ON2C(=O)c3ccccc3C2=O)C1 1772792624 DVHAWIHCWLDFBW-FKIZINRSSA-N 402.403 1.767 30 10 HDEE N#CC1CCN(C(=O)C2CCN(C(=O)CC3(C(F)(F)F)OCCO3)CC2)CC1 1848931356 OQEVGJBLBCTEBX-UHFFFAOYSA-N 403.401 1.683 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1 1850309520 HKHSIBYUQLBLNC-FQEVSTJZSA-N 421.563 1.700 30 10 HDEE N#Cc1ccc(CN(C(=O)CCCN2CCS(=O)(=O)CC2)c2cnccn2)cc1 1851928599 IBSOSAZAPARTSF-UHFFFAOYSA-N 413.503 1.392 30 10 HDEE CO[C@H](C)C(=NOCC(=O)N1CCCCC1)NS(=O)(=O)c1ccc(C)cc1C 1853495660 OAAPTVZLCZRXIK-MRXNPFEDSA-N 411.524 1.959 30 10 HDEE C=CCC1(S(=O)(=O)NC(COC)=NOCc2cc(=O)n3ccccc3n2)CC1 1853520267 BODXWTDOQBCEEI-UHFFFAOYSA-N 406.464 1.199 30 10 HDEE NC(=NOCCC(=O)N1CCC[C@H](n2cnc3ccccc3c2=O)C1)c1ccncc1 1853556172 MINZLVQJUIVBIV-KRWDZBQOSA-N 420.473 1.682 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@@H](N3CCC(Cn4cncn4)CC3)C2=O)cc1 1853748617 NDNPXBNNUKCZIM-HXUWFJFHSA-N 406.490 1.622 30 10 HDEE Cc1ccc(C(=O)N2CCN(CCN3CCOCC3)C3(CCCC3)C2=O)cc1C#N 1853833526 SUTMOVNSJKCJQW-UHFFFAOYSA-N 410.518 1.796 30 10 HDEE CCCc1cc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)no1 1854289329 BJUIZCFEZCZDEB-GOSISDBHSA-N 409.446 1.788 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2ccc(F)cc2F)C(=O)C12CCCC2 1854401417 NTMINARXIHEVTI-UHFFFAOYSA-N 411.430 1.344 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cc(C4CC4)on3)C(C)(C)C2=O)CC1=O 1855071073 XBBHHMRPHBUDRO-OAHLLOKOSA-N 400.479 1.536 30 10 HDEE Cc1ccnc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)[C@H](C)C1=O 1855807262 SAEBOIWYVGKLQS-OAHLLOKOSA-N 412.471 1.632 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N3C(C)(C)CC(=O)CC3(C)C)C2=O)CC1=O 1855866239 NNHRILZELDGXRH-NVXWUHKLSA-N 403.523 1.761 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CCN(Cc3nc(C)no3)c3ccccc32)CC1=O 1856104757 OWJRHIJUVRRNAM-OAHLLOKOSA-N 409.446 1.682 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)c3ccc(OC)c(OC)c3OC)C(=O)C2)C1 1856837281 LGNLAVFGTWJYHI-MRXNPFEDSA-N 417.506 1.647 30 10 HDEE Cn1cc(C(=O)N2CC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)c(C(F)F)n1 1857119828 ITPIOLBXOHRLIU-CQSZACIVSA-N 416.388 1.129 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)C2CCCCC2)C1)C1CN(c2nccnc2C#N)C1 1857386017 BWNHFOUKDOKVAZ-INIZCTEOSA-N 410.522 1.814 30 10 HDEE C=CCNC(=O)[C@H]1C[C@@H](O)CN1C(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 1861272308 RJCWLNOIZBBVHJ-SJLPKXTDSA-N 415.877 1.428 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 1862558619 VZQJZOCOZJZETG-SFHVURJKSA-N 424.413 1.891 30 10 HDEE C=CCn1cc(OCC(=O)OCC(C)C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870423259 OHLYXOJIRYIATJ-UHFFFAOYSA-N 405.495 1.276 30 10 HDEE C#CCOc1cn(CCCN2CCOCC2)c(CN2C[C@H](C)O[C@@H](C)C2)cc1=O 1870560239 NJCATTYLYPCMHE-OALUTQOASA-N 403.523 1.192 30 10 HDEE COc1ccc2c(/C=N/n3c(S)nnc(CCC(=O)O)c3=O)c(C(=O)O)[nH]c2c1 1873498151 QWZUOOZUPHQRHH-CNHKJKLMSA-N 417.403 1.015 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1C[C@@H]2[C@H](C1)[C@@H]2B1OC(C)(C)C(C)(C)O1 1908253896 CEYGFAPCECJQEK-IBEHDNSVSA-N 422.331 1.907 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)C[C@@H]1CNC(=O)OC(C)(C)C 2174779427 JENLMLYHIYUYOU-OAGGEKHMSA-N 400.545 1.949 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CCCO1 2174788472 FSTZUCBYEAPLON-LSDHHAIUSA-N 402.517 1.082 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1 2180897982 KJTALFFRCIRMTJ-JTQLQIEISA-N 416.887 1.201 30 10 HDEE C=CCN(CC=C)C(=O)C[S@](=O)C(C)(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O 2195292583 VKDBWKRBHFSDQC-PWFNWSNSSA-N 402.513 1.692 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2COCC[C@]2(C(=O)N[C@H](C(=O)O)C(C)(C)S)C1 2195308008 LWEXJHNPDPWFFH-FMTVUPSXSA-N 402.513 1.538 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N[C@@H]1C[C@@H]1NC(=O)OC(C)(C)C 2243426297 WSCZMIGULRHRRY-KGLIPLIRSA-N 405.304 1.720 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NCC(N)=O)c(Cl)c2)OC1(C)C 2267467334 BTOQRTUOIIXMQW-UHFFFAOYSA-N 409.100 1.056 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCSC[C@H]2S(=O)(=O)CC)C1 2281224312 XFFQMGVJLZXEGV-TXKKKEFDSA-N 416.565 1.629 30 10 HDEE Cc1csc(C(=O)N[C@H](C)CCS(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2282063927 SKIIKFQOAIZLDP-GFCCVEGCSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H](C(N)=O)C3CC3)cc2Cl)OC1(C)C 2282309248 CAGKFJUOKDTSIJ-NSHDSACASA-N 420.749 1.243 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2282326192 OWQUOUNPDXMYPZ-QWHCGFSZSA-N 401.359 1.747 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NCC[C@H](N)C(F)(F)F)OC1(C)C 2282340875 KWORYSYWBZLOPI-JTQLQIEISA-N 414.280 1.605 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1N 2282343641 RAOHZVFUDKVSNC-QWHCGFSZSA-N 400.375 1.795 30 10 HDEE CN1CCCC[C@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282492977 RCZZZQWKOMYLLU-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE COC1CC(CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282610761 BDVVNWCNLQCIDY-UHFFFAOYSA-N 401.721 1.970 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[S@@](=O)C[C@@H]1C 2282840244 FCUYWIFRTLCMPM-JPQMIFPKSA-N 419.399 1.497 30 10 HDEE CC(C)(C)[C@H](O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282846672 MTECITRPCHFHDR-GFCCVEGCSA-N 404.363 1.269 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282847443 ZBCNCTUZRKMRCB-CYBMUJFWSA-N 401.359 1.879 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@](C)(=O)CC2CNC2)OC1(C)C 2282854148 NYLAGHDKTQVGOL-RUZDIDTESA-N 420.387 1.053 30 10 HDEE C[C@H]1CN(C)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856330 QTVPCDDLFVZTEF-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCN(CCF)CC2)OC1(C)C 2282857692 LPCOUVLZUPMOMB-UHFFFAOYSA-N 404.338 1.323 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282877545 SPUUZCHETBOZKB-VWLOTQADSA-N 421.415 1.625 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@H]1CCCN1 2286912308 SCULTKQMSQEFNZ-WCQYABFASA-N 400.375 1.775 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1C 2300293696 LATSBXXRNAYADY-QWHCGFSZSA-N 420.319 1.423 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2302857570 VGRUSZCLXJXHQN-CQSZACIVSA-N 413.283 1.835 30 10 HDEE COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1C=Nn1c(S)nnc(C)c1=O 2321664193 VYUKAHYJHKKZLX-UHFFFAOYSA-N 403.420 1.403 30 10 HDEE O=c1c(Br)c(NN=Cc2ccccn2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659612 BPWPFSZOGMAOBY-LLVKDONJSA-N 412.269 1.206 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](NCCC#CBr)(C(=O)O)C[C@]12CCOC2 2324749620 JYINHMSLTSRYPB-IRXDYDNUSA-N 417.300 1.945 30 10 HDEE CC(C)(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccccc2F)CC1=O 2327842813 SPFJFNUGWMDRNP-ZDUSSCGKSA-N 418.498 1.991 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](O)C#Cc2nccs2)S(=O)(=O)C(C)(C)C1 2338221925 SAJWHVXRQNLLIU-OLZOCXBDSA-N 400.522 1.668 30 10 HDEE CC1(C)C[C@@H]([C@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O)N(C(=O)OC(C)(C)C)C1 2365173390 RTDZSVLNORUPRM-ZFWWWQNUSA-N 401.525 1.779 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365206330 GHUUFUZRPWGDPP-KHYOSLBOSA-N 402.557 1.681 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@]1(C)[C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2367103061 UFSJWKIJANMHDD-HNAYVOBHSA-N 401.525 1.923 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCCCN3C(=O)NC4(CCCC4)C3=O)cc2C1=O 10425279 AZIQWGZETUUOQB-UHFFFAOYSA-N 424.457 1.453 30 10 HDEE N#Cc1cccc(C(=O)NCCCS(=O)(=O)N2CCN(c3ccccn3)CC2)c1 12164340 IRCGKXZACNTZCV-UHFFFAOYSA-N 413.503 1.225 30 10 HDEE NC(=S)N1N=C(c2ccc([N+](=O)[O-])cc2)/C(=N/Nc2cccc(C(=O)O)c2)C1=O 59461644 UNZGLMCKQCJPKR-ZHZULCJRSA-N 412.387 1.551 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccco1 102743176 QLNTXUSIZMACOQ-VZCCSQPZSA-N 414.462 1.764 30 10 HDEE N#Cc1ccc(N2C(=O)C(c3ccccc3)=C(N3CCN(CCO)CC3)C2=O)cc1 170048183 VPAYWRYFTPOXDJ-UHFFFAOYSA-N 402.454 1.453 30 10 HDEE C=CCN1C(=O)C(c2ccc(OC)c(OC)c2)=C(N(CCOC)CCOC)C1=O 170054870 MUCXXNGIGRDRMO-UHFFFAOYSA-N 404.463 1.565 30 10 HDEE C=CCOC[C@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 230150190 BWKXYBGTOJLOAI-RTWAWAEBSA-N 406.523 1.348 30 10 HDEE CN1CCN(C(=O)CSc2nnc(N/N=C/c3cc(Cl)ccc3O)[nH]2)CC1 253570412 NNXWRXDUIAYNHV-GIJQJNRQSA-N 409.903 1.476 30 10 HDEE C=C[C@]1(C)CC(=O)[C@]2(O)[C@](C)(O1)[C@H](O)[C@H](OC(C)=O)[C@@H]1C(C)(C)CC[C@@H](O)[C@@]12C 256351254 CLOQVZCSBYBUPB-QCDUZCBPSA-N 410.507 1.520 30 10 HDEE biogenic,in-vitro N#Cc1ccc([C@H](C(N)=O)N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 261474185 YXUPWDOFTLOLBA-HXUWFJFHSA-N 412.877 1.961 30 10 HDEE COC(=O)C[C@@H](NS(=O)(=O)N(C)C[C@@H](C)C#N)c1cccc(Br)c1 409589131 LPAVHKHZZOOCCW-SMDDNHRTSA-N 418.313 1.979 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCO[C@H](c4cccc(C#N)c4)C3)cc21 427282371 DXQSZELNRMIUKC-FQEVSTJZSA-N 416.437 1.949 30 10 HDEE COC(=O)[C@](C)(CNC(=O)N1CCN(c2cccc(C#N)n2)CC1)c1ccccc1 469652636 HULPHCUPKZPPCD-JOCHJYFZSA-N 407.474 1.916 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCC(c3n[nH]c(CC)n3)CC2)c1 481984674 VIQWQIGSNZIDQB-UHFFFAOYSA-N 403.508 1.851 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SC[C@H]3CCN(S(C)(=O)=O)C3)nnc12 487110815 DAUYXYQTVTVKGN-ZDUSSCGKSA-N 419.532 1.604 30 10 HDEE C[C@]1(c2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)NC(=O)NC1=O 488795736 VWGVCCSGBXQIMF-GOSISDBHSA-N 402.407 1.230 30 10 HDEE CC(C)(C)CC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 497572820 IABMGAJXKWWYNZ-MRXNPFEDSA-N 411.527 1.992 30 10 HDEE C[C@H]1CCCCN1S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CC#N)CC2)c1 503644172 PQEZGQGHHVVKNL-INIZCTEOSA-N 418.519 1.448 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 506206466 CWVPBIPFHUMKKX-ZHRRBRCNSA-N 420.554 1.840 30 10 HDEE C[C@H](C(=O)N(C)[C@@H]1CCS(=O)(=O)C1)N1CCC(Oc2ccc(C#N)cc2)CC1 507802650 WAZMEXBAFQLUNF-NVXWUHKLSA-N 405.520 1.435 30 10 HDEE Cn1ccnc1CN1CCC(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 510139946 NTKAGNYPTMDZMI-OAQYLSRUSA-N 406.534 1.869 30 10 HDEE COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)CC2(C#N)CCCC2)CC1 514436899 QCKCPIXDKYIQFV-UHFFFAOYSA-N 420.535 1.665 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2csc(C)n2)c(=O)n1C[C@@H]1CCCO1 522535894 LZVXLLDMHVVUOS-WFASDCNBSA-N 417.556 1.972 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@@](=O)CC(=O)NC3CCCC3)cc21 526845747 OFZXGPNLZLOTRA-MUUNZHRXSA-N 404.488 1.588 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccccc3CN3CC[C@@H](O)C3)cc2C1=O 543835180 OIKLNPCHPIUTPH-LJQANCHMSA-N 419.481 1.965 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](c3nc(C4CC4)no3)C2)cc1 552928536 IIKGZJSOIMTDBS-OAHLLOKOSA-N 415.475 1.769 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC(COC)(C(=O)OCC)CC1 555260153 BVDWWQUHVJNJLD-UHFFFAOYSA-N 419.526 1.886 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc4oc(O)nc34)CC2)cc1 561331035 WGDBILIXWQZFDO-UHFFFAOYSA-N 412.427 1.552 30 10 HDEE Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)c1 603797820 HKCMPJQZMROYHG-GOSISDBHSA-N 423.538 1.523 30 10 HDEE C=CCNC(=O)Nc1ccc(NC(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)cc1 606077796 IYYOYBFOYQRHQG-GOSISDBHSA-N 421.457 1.854 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCCCN2CCCS2(=O)=O)CC1 608794103 WCFVUNHZRMXODJ-UHFFFAOYSA-N 405.524 1.206 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(S(N)(=O)=O)s2)cc1 609169134 RRCXTKRJOZWSCJ-LBPRGKRZSA-N 422.513 1.421 30 10 HDEE Cc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCC(C)(C#N)CC2)cc1C 611668431 JNJUUAVNIKRSDF-AEFFLSMTSA-N 405.520 1.580 30 10 HDEE COCCO[C@H]1C[C@@H](CO)CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 618466010 RVRXYEHIULNRKY-PBHICJAKSA-N 400.439 1.017 30 10 HDEE Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 619645136 AVQZJCVZCHMDOF-IBGZPJMESA-N 424.432 1.870 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@](NC(=O)OC(C)(C)C)(C(=O)O)C1 707602421 FFLSQYUSPCLAMN-CYBMUJFWSA-N 413.290 1.279 30 10 HDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cccc1C(=O)N1CCCC1 732705905 ISCUGMFRSDLWLV-KRWDZBQOSA-N 409.490 1.368 30 10 HDEE C=C(COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O)C(=O)OCC 734022270 BITMUSCLZHPXKA-SMDDNHRTSA-N 405.856 1.030 30 10 HDEE COc1ccc([C@H]2[C@H](C(=O)OCC(=O)NCc3cccc(C#N)c3)CC(=O)N2C)cc1 734917219 HPEMBRMMFPDQGZ-KNQAVFIVSA-N 421.453 1.946 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 735851642 BTKCGQSNJFMKMC-IAFNSTAXSA-N 406.483 1.666 30 10 HDEE C[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCN1Cc1ccccc1 745812894 FSNAEOOHXWRANM-UNEBPCJRSA-N 411.506 1.819 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc3nc(C)sc3c2)c1=O 755048199 MPEPISHBPLBNFY-UHFFFAOYSA-N 420.519 1.243 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)N[C@H](CCO)C(=O)O 757470208 DEDVFEFXSRCOOY-HXUWFJFHSA-N 422.437 1.480 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2ccccn2)c1=O 758088938 HLDSWQJGDHGZPY-UHFFFAOYSA-N 401.447 1.333 30 10 HDEE O=C(Cc1cccc(OCc2cccnc2)c1)NCCN/C(O)=C1/N=CC=CC1=O 770748522 HEGPRSFIQQDHQE-DQRAZIAOSA-N 406.442 1.846 30 10 HDEE C#CCN(C(=O)Nc1ccc([S@](=O)C(F)(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 774047863 WXCWXHWJFTVUGX-YDBLSZJJSA-N 408.423 1.968 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@H](C)Oc2ccccc2C#N)CC1 774971066 FVRXIEVFLQJXOL-HNNXBMFYSA-N 410.492 1.699 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2c(OC)cc(OC)cc2OC)c1 777901885 SXCMNXHOEIQSFH-UHFFFAOYSA-N 404.444 1.611 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2 782418784 XALSWCYFMBARNB-CYBMUJFWSA-N 419.482 1.868 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(OC)c(-n3nnnc3C)c2)n1 788595627 DRRYKRBBDCXQNA-UHFFFAOYSA-N 424.465 1.490 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)COc2cccc(N3CCCC3=O)c2)n1 788819950 AHHMBHUWCICMAB-UHFFFAOYSA-N 410.474 1.697 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)n1 789144064 LNGZLZIJOWICJX-KRWDZBQOSA-N 422.489 1.473 30 10 HDEE CCN1CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1=O 802364035 RTEDDVMXOPCMNU-OAHLLOKOSA-N 406.508 1.023 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)CC(=O)N(C)C)cc1 803524724 AWDCXECCKPLHCB-IBGZPJMESA-N 412.511 1.913 30 10 HDEE C#CCN(c1nnc(Cc2ccc(Cl)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 812096888 VQKLKYDFRDYCCU-QGZVFWFLSA-N 422.938 1.795 30 10 HDEE COC(=O)c1cccn(CC(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)c1=O 1127329354 CFLYYJBVRMIWTI-UHFFFAOYSA-N 410.430 1.408 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@H]3CCN3C3CCCC3)C2=O)cc1 1132134025 ZRNDOFKVDDTSLL-MOPGFXCFSA-N 409.490 1.896 30 10 HDEE CN(C)c1cc(Br)cc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1134279449 OLWPJXOMHRLPLA-LRDDRELGSA-N 412.309 1.525 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N(CCC#N)CCN2CCOCC2)CC1 1142585638 AVCQJTSJXZLFOE-UHFFFAOYSA-N 418.538 1.711 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143068018 IOQURWFXGMWHRM-SJLPKXTDSA-N 420.531 1.490 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CNC(=O)c1ccc(Br)o1 1165490497 XDGABZBLEFYKSG-ZDUSSCGKSA-N 406.236 1.836 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1 1165508459 OXVUFMMYGXBGOQ-UHFFFAOYSA-N 420.531 1.863 30 10 HDEE N#CC[C@@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)C1 1166383278 AJHQRWMORBLRGZ-JTQLQIEISA-N 406.327 1.941 30 10 HDEE C#CCC1(O)CCN(C(=O)c2ccc(Br)c(S(C)(=O)=O)c2)CC1 1175854810 XTKMHNSDHBJCHC-UHFFFAOYSA-N 400.294 1.843 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757518 SOFQUKOJUCRAPD-KHYOSLBOSA-N 411.524 1.633 30 10 HDEE COC(OC)C(=O)N1CCN(CC(=O)Nc2ccccc2S[C@@H](C)CC#N)CC1 1195977827 ISOYKSNAVFKELO-HNNXBMFYSA-N 420.535 1.782 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCCS(=O)(=O)c2cccc(C#N)c2)C1 1197819040 UATUZMWFFHWBTO-HXUWFJFHSA-N 423.535 1.684 30 10 HDEE C#CCN(C(=O)Nc1nc2c(s1)CC[C@H](C(=O)OC)C2)[C@H]1CCS(=O)(=O)C1 1206601129 NQUMFQBAIRRBIJ-RYUDHWBXSA-N 411.505 1.075 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)NCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1 1221877316 PZDUSNSLYVJRJD-GOSISDBHSA-N 419.522 1.995 30 10 HDEE C[C@@H]1[C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)CCN1Cc1ccccc1 1251671261 DTICRAXAFJYUGH-RDTXWAMCSA-N 408.462 1.050 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3ccc4c(c3)OC(F)(F)O4)C[C@H]1CS(=O)(=O)C2 1252515330 MZTPCZPUZLZQOI-LRDDRELGSA-N 413.402 1.130 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCC(=O)N(C)C 1286284857 HUEHNBBNRGXZOY-AWEZNQCLSA-N 417.539 1.174 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1286290226 RGYYWVBAMRHAFZ-AWEZNQCLSA-N 419.489 1.176 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2c(C)cccc12 1286361334 NXJAYVIYTPKRFL-HNNXBMFYSA-N 414.535 1.990 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)NCCC)CC1 1286652113 SKEFQHLMSXMFPQ-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCOC[C@H]1C 1286774136 ZXWGEXNRXGQVQK-BRWVUGGUSA-N 412.556 1.492 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H]1c1nncn1C 1286784902 XSSFETNIUIJZFT-INIZCTEOSA-N 422.493 1.726 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCC(c2cnn(CC)c2)CC1 1286793627 ZPTDMLYKIYOJMF-UHFFFAOYSA-N 401.515 1.717 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N(C)C 1288724843 DPTSWIWOOQRJGC-CQSZACIVSA-N 418.523 1.164 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)c2cccc(OC)c2)CC1)C(=O)OC(C)(C)C 1290699845 XLOMOVFZFKJCLG-UHFFFAOYSA-N 415.490 1.850 30 10 HDEE C#CCCCC(=O)N[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1C(F)(F)F 1292327094 DQFRQYYEDCFOPY-DEQQHWRFSA-N 402.413 1.347 30 10 HDEE CO[C@]1(Cn2c(Cn3nc(C)cc3C)nnc2N2CC[C@](F)(C#N)C2)CCOC1 1299816897 FTFYCSXTUGTMMM-OALUTQOASA-N 403.462 1.387 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300337300 YGSUVQBWHVWSMA-QGZVFWFLSA-N 415.542 1.556 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1300465531 OKKVOEKFVVDJGG-HNNXBMFYSA-N 409.537 1.099 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN(C)C1CCCC1 1300557696 VHFUORUPQBETHB-QGZVFWFLSA-N 420.583 1.226 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC)cc1 1300601284 FSOBCBZZOXIBCZ-OAHLLOKOSA-N 405.524 1.795 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N(CCO)CCOCC(F)(F)F 1301037246 RMCHRRCEDSUWRW-NSHDSACASA-N 411.812 1.359 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301258523 VCOMBCPYHKJMPU-OALUTQOASA-N 405.543 1.533 30 10 HDEE COC(=O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1301701918 QIUVPUJXUUIZDX-ZGOJQLDESA-N 420.510 1.090 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)cc1 1302510865 KCWZZEMIPZHNIZ-QRVLEJSBSA-N 415.519 1.785 30 10 HDEE CS[C@@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)C[C@@H]1N(C)C 1309320248 BPTBZLUZHLPVGW-QWHCGFSZSA-N 404.355 1.987 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)CC1 1314020923 UKGSBWLMGKXYKZ-HNNXBMFYSA-N 413.438 1.021 30 10 HDEE CN(c1nnc(C2CCCC2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1314692072 IHLZKWDGLKYTAF-DXQAYGFFSA-N 400.483 1.687 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1314705900 DVHCYAYMVAWEFH-KRWDZBQOSA-N 414.466 1.328 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)Oc2ccc(OCC)cc2)n1Cc1nnn(C)n1 1358871918 LYJCBRMVYLXFDV-CABCVRRESA-N 410.482 1.847 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCOC)[C@H](C)C1 1358918779 HGPBZRAEMHLCSY-QGZVFWFLSA-N 411.510 1.496 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1358920393 YFBSRTGOJITHOW-HOTGVXAUSA-N 418.523 1.354 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC=C 1358994411 MWUYMMIIJFMBPW-LJQANCHMSA-N 405.458 1.556 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@](C)(O)c1cc(C)oc1C 1359023439 KTRPREBXHUVVLH-LAUBAEHRSA-N 415.494 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2CC(=O)NC(C)C)CC1 1359044208 ZLXXIIUNHUGWHP-UHFFFAOYSA-N 423.521 1.139 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN2CCOCC2(C)C)C1 1359321865 MWISNQQFWUSQQX-QZTJIDSGSA-N 405.543 1.674 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1359342451 YACWWVOLSHHHGQ-YESZJQIVSA-N 420.583 1.305 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(C)(C)O 1360214698 AEKMNHPTGOPMCO-UHFFFAOYSA-N 413.482 1.112 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc3oc(O)nc3n2)cc1 1441662664 DTESONHUAAKALR-JCMHNJIXSA-N 415.431 1.994 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)s1 1442380748 YYJJDCJBALQBDC-UHFFFAOYSA-N 420.516 1.584 30 10 HDEE C=CC1(CC(=O)Nc2cc(S(N)(=O)=O)ccc2O)CN(C(=O)OC(C)(C)C)C1 1446724921 ZZSYUDLGEJBCFW-UHFFFAOYSA-N 411.480 1.791 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2occc2COc2ccccc2)CC1 1455114366 CTAWEZKCARAEGT-UHFFFAOYSA-N 403.460 1.084 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@H](O)[C@H](O)c3nc4ccccc4[nH]3)C2)nc1 1456067727 YKCARYZEHBSQDK-CCKFTAQKSA-N 406.446 1.327 30 10 HDEE COCCNS(=O)(=O)c1cccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1456735496 NLAOXIGQQWQROD-UHFFFAOYSA-N 420.516 1.325 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CCC2 1461285965 COUQRCBCDJWLCI-QGZVFWFLSA-N 414.487 1.385 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1464125094 WMYFEOXMUYDGMH-UHFFFAOYSA-N 416.547 1.884 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3ccc(C(N)=O)o3)C2)C1 1465636692 LMAOLHGNTUMSFV-BTTAGBNVSA-N 402.451 1.782 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1468476942 ATHBVGWPRKHDRP-VGSWGCGISA-N 413.474 1.989 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CCO)c2ccccc2F)cc1 1469369696 PAZDTFOUPWBQMO-SFHVURJKSA-N 405.451 1.871 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)COCCNC(=O)c3ccccc3)C2)nc1 1471983657 FMHMXUQWZQENPP-LJQANCHMSA-N 407.474 1.803 30 10 HDEE Cc1nnnn1-c1ccc(F)c(NC(=O)CN2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1473839148 SZYMTNGUBDGTEU-HXUWFJFHSA-N 421.436 1.994 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1477631798 XMYLWGQVTMKETM-ROUUACIJSA-N 400.523 1.690 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCCS(C)(=O)=O 1504956277 CDLUHZROSCGWBU-OAHLLOKOSA-N 413.544 1.567 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCN(C)C 1505074091 YZCWOZHUGZRMOL-BXWFABGCSA-N 410.494 1.022 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(F)(F)F 1507641602 BIQQZUBFWPGMOA-GFCCVEGCSA-N 405.446 1.550 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1(OCCOC)CCOCC1 1507668974 FWVHPMRJWNXNMT-LJQANCHMSA-N 416.522 1.457 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)N1CCOCC1 1507679376 VLDNROXDKXSOBV-OAQYLSRUSA-N 419.526 1.027 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCOCCN(C)C)CC1 1507718644 STKWZBBEBXAUCR-UHFFFAOYSA-N 412.538 1.287 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(CCOC)C(=O)C1 1507796449 HXVMAXYNEGYACV-PKOBYXMFSA-N 403.527 1.822 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCc2noc(CC)n2)CC1 1507901611 CEGVOGJGMIIGRZ-HNNXBMFYSA-N 420.539 1.771 30 10 HDEE C=CCCCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1507934622 HYZHVXQOUZZRIB-INIZCTEOSA-N 416.526 1.066 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CC[C@H](OCc2ccccc2)C1 1508080021 HNEAVFWPEIIRIC-SFHVURJKSA-N 419.489 1.833 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCCS(C)(=O)=O)C1 1508126380 KIKBGGZPSPCHBI-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE CC1(C)CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1510319280 QAQWVBIQXQDCLG-FBMGVBCBSA-N 408.466 1.640 30 10 HDEE C[C@H]1OCC[C@]1(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCOCC1 1512577538 BQSUVGFXGBNATF-IERDGZPVSA-N 413.478 1.495 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(F)cc3)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1517410107 PESNVBJYZJZXEZ-VQTJNVASSA-N 416.432 1.916 30 10 HDEE CS(=O)(=O)CCCCCn1c(C2CCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1519523833 LBLJBXFNCAPXCT-SFHVURJKSA-N 420.583 1.937 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1 1522965609 PSXPXQDXHWTSEG-KRWDZBQOSA-N 403.479 1.459 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1525356745 RFTPWUKNMMEHNN-OAQYLSRUSA-N 418.563 1.536 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(F)c(Cl)c3)C2=O)nn1C 1526701381 CDXGHTDEGGVGLD-SFHVURJKSA-N 418.816 1.798 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)Cn3nnnc3-c3ccccc3)C2=O)cc1 1528682141 FLAJYUCGMNGPEE-GOSISDBHSA-N 401.430 1.524 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)c(C#N)cn1CCOC 1533738515 JYCGEGVAUITLMT-KGLIPLIRSA-N 419.356 1.468 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1536257118 JMXJDUQWWQDVFB-FQEVSTJZSA-N 400.523 1.471 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CN3C(=O)COc4ccc([N+](=O)[O-])cc43)CCO2)cc1 1536663129 HZZDCSRSCVXHRH-LJQANCHMSA-N 422.397 1.792 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1OCC(=O)N(C)[C@@H]1c1cccnc1 1537075019 FYIGXWFMSMLKEI-RTWAWAEBSA-N 408.458 1.527 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1=O 1538451614 LUWXGDCEJHFEKB-GJZGRUSLSA-N 407.264 1.776 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccccc2)n1CC1(O)CCS(=O)(=O)CC1 1539026542 WNLYYKOVDQIMDC-QGZVFWFLSA-N 416.547 1.461 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1539097970 HPMUPAOKLNGUHX-OAHLLOKOSA-N 416.544 1.458 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1CC(=O)NCCC 1539176212 KQPZIAQHQJCALS-INIZCTEOSA-N 418.542 1.988 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1539215419 BOMYIDMVQMFSJA-LSDHHAIUSA-N 412.606 1.631 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1539220509 KBEHNBFGKSZGAZ-IRXDYDNUSA-N 406.552 1.987 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1539220738 UZWOVSFEEPXYEE-MSOLQXFVSA-N 409.600 1.834 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1539252769 FRJIVKCCJYHKNC-LSDHQDQOSA-N 414.469 1.853 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)N(C)CC 1539413005 GOYDOKPEOWNNGC-UHFFFAOYSA-N 423.477 1.158 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ncnn2-c2ccccc2)CC1 1539452412 SDGDNEPXLABJQZ-UHFFFAOYSA-N 404.522 1.861 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(C3CC3)C2)CC1 1539874721 OSSPTEOBTMUBDO-NVXWUHKLSA-N 422.599 1.775 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1CC(=O)N1CCN(c2ccccc2)CC1 1540063917 GCUVMRLQANVQLO-UHFFFAOYSA-N 418.505 1.706 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C 1540876129 ILXJNLVMOUXMQV-UHFFFAOYSA-N 419.287 1.825 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1540897632 OERZFAPFHWLXLK-BZUAXINKSA-N 400.545 1.633 30 10 HDEE C[C@H](COCc1ccccc1)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1 1541887213 FKDVSGULTRLECX-WDSOQIARSA-N 424.505 1.811 30 10 HDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CCS(C)(=O)=O)c1 1542825898 CAICHSMDFBHWMC-UHFFFAOYSA-N 413.507 1.503 30 10 HDEE C[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1544400404 BDOYZRQFZYVWAA-IHCANNCPSA-N 414.510 1.791 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)c(NC(C)=O)cc2C)CC1 1561764991 QGHGLWZAWISCGF-UHFFFAOYSA-N 415.309 1.865 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(C(=O)OCC)ccc1I 1563179251 XKMHQGQPISQLJM-NSHDSACASA-N 416.215 1.974 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1586079799 ZYUHTOZFXCLESV-MRXNPFEDSA-N 402.451 1.637 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCn1cc(C)cn1 1588218829 DRWRHCOMJKWJHD-UHFFFAOYSA-N 405.462 1.674 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC[C@H]1C 1588628610 LQHVXRSWIQDKFJ-HZPDHXFCSA-N 415.494 1.764 30 10 HDEE Cn1c(=O)c2cc(C(=O)NC3CCN(c4ccccc4C#N)CC3)sc2n(C)c1=O 1596109508 FKZMGYRHUVFJCC-UHFFFAOYSA-N 423.498 1.569 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@@]3(O)CCN(Cc4ccccc4)C3)C2)nc1 1596977944 KPTKLFAYHNQWOW-NFBKMPQASA-N 405.502 1.993 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)c(C#N)cn1CC 1597857462 SPVOIQDXTSMVSD-CVEARBPZSA-N 404.467 1.375 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ncc(OC)c(O)n2)c1 1603347054 XXGUJSYNRXYYDF-MRXNPFEDSA-N 415.471 1.965 30 10 HDEE C#CCC1(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CCC1 1611044185 VAGTWEGMXPNOQM-UHFFFAOYSA-N 421.494 1.354 30 10 HDEE CN(C)c1ccc(CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1617663160 QTGJDPHGJBMQRR-MSOLQXFVSA-N 409.494 1.267 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCN(C(C)=O)C1 1619967953 LMAKSNJHNNFDAH-LZLYRXPVSA-N 406.531 1.856 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN1CCOCC1 1620002795 XOHJQXQYESQRBY-WIYYLYMNSA-N 420.558 1.854 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCSCCCO)CCN1C1CC1 1620357649 ZVNUCHBFYQEETA-DLBZAZTESA-N 406.556 1.422 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)C1=Cc2cc(F)cc(Cl)c2OC1 1621673324 KCIZQBALDCQBIW-CYBMUJFWSA-N 419.883 1.665 30 10 HDEE N#Cc1cc(Br)ccc1C(=O)NCc1ccc(S(N)(=O)=O)s1 1623931325 BSXALUYOTFMVMD-UHFFFAOYSA-N 400.279 1.960 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCS(=O)(=O)C[C@H]2C2CC2)CC1 1624608847 VRESEVUGJJJCSO-KRWDZBQOSA-N 410.536 1.673 30 10 HDEE CC(C)C[C@H]1CN(C)CCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1626655945 NXGNUBCAGOSHPH-OALUTQOASA-N 411.506 1.952 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCCCN2C(=O)OC(C)(C)C)cc1 1628314314 NRYPIZNADGOZSP-UHFFFAOYSA-N 407.492 1.986 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H]3CCN(C4CCN(C)CC4)C3)n[nH]2)c1C 1633237313 FOZSJRXIBDTZQG-KRWDZBQOSA-N 411.554 1.974 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)Cn2nc(Br)c(Br)n2)C1=O 1634109496 CSXSCYLRNYEAPX-MRVPVSSYSA-N 421.093 1.048 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 1635971242 NTCLSSQKJDRHOO-OAHLLOKOSA-N 421.519 1.828 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)cc1 1638948041 GTLUHGXVIWJDPM-WBVHZDCISA-N 404.492 1.535 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCOC1CCOCC1 1639064934 BTFAYCGSLAUBAO-KRWDZBQOSA-N 423.535 1.452 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@H]2c2nc(C)no2)s1 1642120997 AWNUVIDAVGFXSY-SWLSCSKDSA-N 412.493 1.093 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC[C@H]4CCNC(=O)[C@@H]43)CC2=O)cc1Cl 1643489012 VOTSGTAAJISIOH-WPKBUWHJSA-N 400.866 1.692 30 10 HDEE N#Cc1cccc([C@H](NC(=O)c2cc(N3CCNC(=O)C3)ccn2)C(F)(F)F)c1 1644212962 BINARMHSXIFOHI-KRWDZBQOSA-N 403.364 1.923 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](SCc2ccccc2)C(C)C)CC1 1644281479 COSKTYGAVVYKQE-GOSISDBHSA-N 409.577 1.556 30 10 HDEE N#CC[C@@H](NC(=O)c1ccc(S(=O)(=O)N2CCC(O)CC2)cc1)C(F)(F)F 1645010527 XVRQMBZOSUSMFU-CQSZACIVSA-N 405.398 1.406 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3ccncc3)C[C@@H]2C)s1 1652170121 RLCHEWIFOYDEDT-HNNXBMFYSA-N 420.560 1.887 30 10 HDEE COc1cc([C@@H](C)NC(=O)CNC(=O)c2ccc(C#N)cc2)ccc1S(C)(=O)=O 1653859939 DDSSDDITLAYIPV-CYBMUJFWSA-N 415.471 1.578 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCc3c(cccc3C(N)=O)C2)CC1 1654348252 NIOQNCOMLYUSCN-LJQANCHMSA-N 423.542 1.614 30 10 HDEE C#CC1CCN(CC(=O)N(CCC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)CC1 1654838380 WBMQDXJGSKYRJF-UHFFFAOYSA-N 423.517 1.668 30 10 HDEE COC1(c2nccn2C)CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 1655491379 DPAAZUQOHDMRMA-SFHVURJKSA-N 402.543 1.050 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CSc2nnc(N3CCOCC3)n2C)c1 1656216946 KCZYKWMJPZBJEV-UHFFFAOYSA-N 400.464 1.073 30 10 HDEE CCOC(=O)[C@@H]1c2ccoc2CCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1659425652 WXFVISNTBJQABB-PXNSSMCTSA-N 402.495 1.434 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1664254202 TUPYLNJRXAQBOE-XUSGNXJCSA-N 409.327 1.515 30 10 HDEE Cc1ccc(NC(=O)NCCn2cc(C#N)c(O)nc2=O)c(OC[C@H]2CCCO2)c1 1667744011 AWEKNYVCVGDOBR-OAHLLOKOSA-N 413.434 1.509 30 10 HDEE Cn1cc(Br)c(=O)c(NC(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 1668681312 FIPVHYJJTKJWAW-UHFFFAOYSA-N 417.267 1.769 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1682404898 GDPIVXLZOGHCPS-HNNXBMFYSA-N 411.503 1.492 30 10 HDEE C#Cc1cccc(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)c1 1683155372 CKDSQRQXVFLXBY-UHFFFAOYSA-N 418.441 1.328 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H](C(C)C)N1CCOCC1 1689978286 RGVIEPLPISVKLX-FHWLQOOXSA-N 405.543 1.428 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1OC 1690066824 NRSSAMISZPFDOD-MJGOQNOKSA-N 422.493 1.432 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C)c2ncc(C)s2)CC1 1690109310 NFRRUUSKNUQKPG-OAHLLOKOSA-N 415.567 1.740 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1690168134 XYQNBCZDTRHSPK-KRWDZBQOSA-N 415.519 1.271 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@]2(CCOC2)C1 1690309615 FOKCMNWHBOMWAW-HRAATJIYSA-N 419.526 1.596 30 10 HDEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1690546647 FCUWURBQXADLIX-FQEVSTJZSA-N 420.510 1.712 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1CC(C)(C)C1 1692661902 GBDXSHWGQVUYAR-GOEBONIOSA-N 424.571 1.786 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CC2(S(C)(=O)=O)CC2)c1 1705503973 JSYWTLXPLGLELQ-UHFFFAOYSA-N 401.492 1.220 30 10 HDEE C#CCCCn1c(N2CCC3(CCN(C)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1705539726 ZQKFEKYCPLCOQZ-JOCHJYFZSA-N 415.538 1.792 30 10 HDEE C#CCN(C)c1nnc([C@H](CC)c2ccccc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705542887 PZEBNARVWKEKEI-YLJYHZDGSA-N 402.520 1.439 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[C@@H]1COCCO1 1705575091 XJAILKMUIMJLNI-WIYYLYMNSA-N 402.495 1.197 30 10 HDEE C=C(Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@]2(CNC(=O)C2)C1)c1ccccc1 1705741571 SYKXDOVVEJWCNP-JOCHJYFZSA-N 408.506 1.846 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1705811142 SJKWGFJXNPYKEF-ZBFHGGJFSA-N 412.560 1.159 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ncn(C)n1)C1CC1 1705850340 PYYBVTHHFKSSID-UHFFFAOYSA-N 413.507 1.680 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1ccc(C)cc1 1705902255 AGPOWNZNSRAUES-INIZCTEOSA-N 412.494 1.468 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cccn2)C1 1705915788 WLCRSGSZEMKLIC-KRWDZBQOSA-N 422.493 1.994 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C)n(C)c2=O)C1 1705922690 RBXDBCHCWIKGEB-IAGOWNOFSA-N 412.494 1.066 30 10 HDEE Cc1nnc(N(C)C2CCC3(CC2)OCCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1707855603 PVDUFKOGVMHCPF-ISLYRVAYSA-N 416.482 1.235 30 10 HDEE C[C@@H]1OCC[C@]1(O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](F)(C#N)C1 1708276810 UUFQIVFLSLIZSD-BKTGTZMESA-N 416.413 1.835 30 10 HDEE CN(C)CCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CC[C@@](F)(C#N)C1 1711015671 JMTXNVOUEHNLLU-HXUWFJFHSA-N 416.457 1.694 30 10 HDEE CO[C@@]1(Cn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@H](C#N)C2)CCOC1 1711622138 AVMCVOCIWCUSOP-RDTXWAMCSA-N 404.858 1.528 30 10 HDEE COCC(=O)NC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1712110691 LAPDQIYVNWUEGF-CQSZACIVSA-N 414.466 1.026 30 10 HDEE COCC1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1712257332 BQRULFJHNWVKPU-ZPHPHTNESA-N 402.499 1.791 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@H](C)N1CCOCC1 1712454570 PKRPYLBPXIHEOS-ROUUACIJSA-N 406.531 1.259 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1nnc2n1CCC2 1712541598 BOYAYGNQHVITOI-MGPUTAFESA-N 414.514 1.718 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCN4C(=O)CC[C@H]4C3)n2CCOCC(F)F)c1 1712879104 YEBNFNARAZHNLJ-INIZCTEOSA-N 416.432 1.909 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(OCCN(C)C)c1 1722378303 CTVYIEPAFAKWLL-UHFFFAOYSA-N 415.501 1.797 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSCC(F)(F)F)CC1 1722428909 CTUNIAYHJUHBGJ-UHFFFAOYSA-N 418.489 1.467 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@]2(C)CN(C)C2=O)CC1 1722434282 NMLMELBBVXURJQ-QHCPKHFHSA-N 406.534 1.741 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cscn2)CC1 1722524985 CKEQPOLRBSLTTB-UHFFFAOYSA-N 401.540 1.755 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1723773700 HPLRPYJBGMFVFO-OAHLLOKOSA-N 413.507 1.591 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C3CC3)C2)n1Cc1ccc(C#N)o1 1723932086 OMJUPOZDOAEQSU-JSGCOSHPSA-N 404.496 1.638 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)C(F)(F)F 1723953776 GPBDRUQNFPYWMD-QWRGUYRKSA-N 424.449 1.206 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1740531328 JVQRJOVPBJMFDN-AWEZNQCLSA-N 420.514 1.168 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCCOCC1 1740587478 LQKPMABTAPUMDB-UHFFFAOYSA-N 402.524 1.878 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 1740622393 CKTQRQLPOZSETE-KRWDZBQOSA-N 419.551 1.185 30 10 HDEE C#CCN(c1nnc(CC)n1CCc1sc(C)nc1C)[C@@H]1CCS(=O)(=O)C1 1740625788 PLBNPKQHMGYDHS-OAHLLOKOSA-N 407.565 1.783 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCSC(C)C)[C@H]1CCS(=O)(=O)C1 1740627494 QTLYVBCVLLAHGA-CVEARBPZSA-N 412.581 1.550 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@](C)(O)c1ccco1 1740630979 HFITWVHSZLILQL-VXKWHMMOSA-N 412.490 1.892 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc2c(c1)COCC2 1740684079 JRRPKXVCEWNYQJ-IBGZPJMESA-N 409.490 1.436 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)N(C)CC 1740770163 JESPWDHCXLAJNI-UHFFFAOYSA-N 409.498 1.802 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1Cc1cn(C2COC2)nn1 1740889475 CWPMSKUCJASYMC-UHFFFAOYSA-N 422.493 1.981 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1740891163 UCTOWYQUNJPQMS-RHSMWYFYSA-N 424.546 1.953 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1740932420 NICOJPGSKIONSW-KRWDZBQOSA-N 417.535 1.589 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@@H](CC(N)=O)C1 1740956066 KYHCXTMMAKZZLD-AWEZNQCLSA-N 400.458 1.478 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CC(=O)NCCC)C1 1740983944 SWPXETMDXFOSQD-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE CC(=O)N1CCC(Cn2c(Cc3ccncc3)nnc2N2CC[C@](F)(C#N)C2)CC1 1741024219 FCVPPCOULVZUDE-NRFANRHFSA-N 411.485 1.964 30 10 HDEE CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1745066752 NHSNPTKWGHYRSA-NFSBEEMKSA-N 416.482 1.271 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1747456554 KMVUBQYDHPGPOY-KRQILSMLSA-N 412.519 1.300 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N(C)[C@H](C)CC#N 1748296266 BSUAERVGQMYKTP-CJNGLKHVSA-N 420.495 1.078 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2)CC1 1748731523 FVFAYKDDPWLXNI-QGZVFWFLSA-N 422.599 1.756 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCCCO 1748881480 FKSDKYNWTSDUMF-UHFFFAOYSA-N 414.531 1.974 30 10 HDEE C#CCSCCn1c(-c2cccnc2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1749032098 VKPJGROTGOERJN-OAHLLOKOSA-N 407.565 1.966 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1749671113 ZFACIBHMQYQGDU-IRXDYDNUSA-N 419.526 1.249 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C1CCCCC1 1750058644 GLLALVGKNUXKIF-MRXNPFEDSA-N 415.542 1.901 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@](C)(O)[C@H](C)CC)[C@H]1CCS(=O)(=O)C1 1760187397 CXMYIEVMNFTFCA-GUXCAODWSA-N 419.551 1.697 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(NC(N)=O)cc1 1760206477 ALSAFHAFDOUJFE-UHFFFAOYSA-N 405.462 1.012 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCSc2ccccc2)CC1 1760252472 QMCJAFSEFORVPF-UHFFFAOYSA-N 412.563 1.964 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(C(N)=O)CCCC1 1760290770 PGSKQONLDVXDEC-IRLDBZIGSA-N 415.538 1.968 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C1CCC2(CC1)OCCO2 1760345989 BWIARRIDRXCYMO-HNNXBMFYSA-N 410.540 1.878 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760440494 LFNLJXQPXQWKSY-IAGOWNOFSA-N 402.543 1.537 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)N(C)C 1760454529 MZJXYGBJRADRON-UHFFFAOYSA-N 417.333 1.549 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](c2nc(C)cs2)C1 1760522277 PHHIBGPCCDRVBE-HUUCEWRRSA-N 418.523 1.427 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1760544450 AGPHWLUJICWOCZ-JKSUJKDBSA-N 418.523 1.341 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCCC2(C)C)nnc1[C@@]1(OCC)CCOC1 1760558173 IFTYJDPDOWFXFX-LJQANCHMSA-N 412.556 1.910 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CCC1 1761240038 GENHQTLZLCKKSS-GOSISDBHSA-N 424.505 1.781 30 10 HDEE CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H](C)CC#N)CC1 1765605611 DEFOPJYZOFUJQV-CVEARBPZSA-N 424.571 1.930 30 10 HDEE CCOCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1766562679 WWOIGQJOMSPOPF-ZCXUNETKSA-N 404.515 1.866 30 10 HDEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(c2ncccc2C#N)CC1 1768520756 XLESCOWDPKWAKP-UHFFFAOYSA-N 410.526 1.327 30 10 HDEE CNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(CC#N)CC1 1769335748 AODQRDPLTKYQIA-UHFFFAOYSA-N 406.494 1.783 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)NCCN1CCC(C#N)CC1 1850004640 QGGPEXATQCLCQA-LBPRGKRZSA-N 416.906 1.498 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)NCC#CCN2CCCCCC2)cc1 1850087796 HMWYBCSLULOYJD-UHFFFAOYSA-N 407.536 1.359 30 10 HDEE Cc1ccc(OCC(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)nn1 1852187094 WDGCZOMRUPBNCV-LJQANCHMSA-N 412.446 1.359 30 10 HDEE CC[C@H](CN1CCOCC1)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1[N+](=O)[O-] 1852724458 IZWNWMQCUZHFKM-SJLPKXTDSA-N 401.467 1.662 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(NCc3nc(-c4cnn(C)c4)no3)CC2)CC1 1853599531 SDRBKWOLFGFCAC-UHFFFAOYSA-N 406.512 1.463 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1C[C@H]1CCC(=O)N1C 1854615231 UTDGJUGEASIEDB-DZGCQCFKSA-N 402.882 1.700 30 10 HDEE COc1ccccc1CC(=O)O[C@@H]1CON(S(=O)(=O)c2ccc(C#N)cc2)C1 1855187017 OZGWZOJDKMEUNP-INIZCTEOSA-N 402.428 1.657 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O)n1cccn1 1855447818 MMBLEBRRFJQBQF-JXFKEZNVSA-N 407.474 1.987 30 10 HDEE N#Cc1ccc(CC(=O)N2CCCC[C@H](N3CCCN(C4COC4)CC3)C2=O)cc1 1855611995 HZDYIYZIHPRIRW-NRFANRHFSA-N 410.518 1.415 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1Cc1nnc([C@@H]2CCOC2)o1 1855825225 GWFRYDHJNIMMON-MRXNPFEDSA-N 409.446 1.708 30 10 HDEE COc1ccccc1-n1nnc(C(=O)N2CCN([C@H](C)CCC#N)[C@H](C)C2=O)c1C 1856283360 ULNRFIYVYXTGJN-GDBMZVCRSA-N 410.478 1.950 30 10 HDEE COc1ccc(CC(=O)N2C[C@@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)cc1 1857039971 ATZBVHGJDBXJGY-KRWDZBQOSA-N 419.503 1.178 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)COc3ccccc3F)C2)CC1 1857053187 JIQCFPGMIGTOSB-OAHLLOKOSA-N 423.466 1.145 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)CN(C[C@@H]3CCS(=O)(=O)C3)c3ccccc32)ccn1 1857244484 QEPCIDOMSPVYCN-AWEZNQCLSA-N 410.455 1.381 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1857321502 XNRMKCKEIVEBRF-MSOLQXFVSA-N 414.506 1.796 30 10 HDEE COc1cccnc1OCC1CCN(C[C@H]2CCC(=O)N(C(=O)CC#N)C2)CC1 1857383766 QDQZKAXBRKGUBZ-QGZVFWFLSA-N 400.479 1.860 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2nc(NC(=O)[C@@H]3C[C@@H](O)CN3)sc2c1 1866041790 FEQPGEPTOISCTB-DOMZBBRYSA-N 422.532 1.320 30 10 HDEE CCCCCCCCCCN1C[C@@H](C(=O)N2CCNC(=O)[C@H]2CC(=O)OC)CC1=O 1872993511 QKEYPWHMGMQOFO-ZWKOTPCHSA-N 423.554 1.866 30 10 HDEE C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1)C(=O)Nc1cccc(C#N)c1 1873866970 PJDQLPZHVQIEOJ-ZFWWWQNUSA-N 420.425 1.783 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 1889570410 IBBRMGIAHOXASI-UHFFFAOYSA-N 419.591 1.886 30 10 HDEE C=C(I)CN1CCOC[C@]1(CO)CNC(=O)OC(C)(C)C 1895212492 QMHNCVOZNYHBDZ-CQSZACIVSA-N 412.268 1.523 30 10 HDEE CC1(C)OB(c2cnn(Cc3ncc(I)cn3)c2)OC1(C)C 1905207238 CGFGKRMFYGLZGN-UHFFFAOYSA-N 412.040 1.625 30 10 HDEE CC(C)(C)OC(=O)N(CCNS(=O)(=O)N1CC(C#N)C1)OCc1ccccc1 1957293704 BNFHKWSLSRBPBW-UHFFFAOYSA-N 410.496 1.645 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@H](CN(C)C(=O)OC(C)(C)C)C1 1982302423 IULPFMFNYABSSH-GFCCVEGCSA-N 413.334 1.793 30 10 HDEE C#CC[C@@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCO1 2074732580 OEETXQGGPZDASI-OAHLLOKOSA-N 404.488 1.363 30 10 HDEE C[C@H](NS(=O)(=O)CS(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2121140437 CUBLNVLHRJJHHY-JTQLQIEISA-N 409.360 1.030 30 10 HDEE C=CCN(CC=C)S(=O)(=O)N[C@H](C)C1(O)CCN(C(=O)OC(C)(C)C)CC1 2163570762 KGPBKRDUHYLJOY-OAHLLOKOSA-N 403.545 1.645 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCOCC1 2174783791 GSCVKDUOUPZLCT-CABCVRRESA-N 401.529 1.966 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174784592 PQNRHILFCNQSKQ-QWVSSGJLSA-N 423.561 1.031 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CC[C@H](N2CCC(NC(=O)OC(C)(C)C)CC2)C1 2174785543 AGPLAIWTUGQUCS-ZBFHGGJFSA-N 400.545 1.539 30 10 HDEE CCn1nnc(CN(C)c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Br)n1 2197850998 AXUCJVPHIJEPNX-UHFFFAOYSA-N 423.124 1.786 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CN=c2ccc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@@H](O)C1 2217456234 NXMOODWJZJDEAM-HOCLYGCPSA-N 419.331 1.442 30 10 HDEE C[C@H](CNS(=O)(=O)CC1(C#N)CCC1)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 2238446249 GIMOYBITGWRJNT-RDTXWAMCSA-N 401.529 1.608 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)N2C[C@H]3C[C@H]2CN3Cc2ccccc2)OC1(C)C 2247818787 AXZWLKSSUUTAFT-SJORKVTESA-N 408.311 1.808 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247829777 VVNWDMNUBGMMBS-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247830401 ZPQRTNCTWYABCT-ZDUSSCGKSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247919465 RKBMGSFGVDIJGH-JSGCOSHPSA-N 418.303 1.419 30 10 HDEE CS[C@@H]1COC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371088 VJWGUUHDMFVNKB-NWDGAFQWSA-N 405.372 1.456 30 10 HDEE C[C@H](C[S@](C)=O)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2267371812 FZGUJQJUEWZJPY-JNDILOIQSA-N 407.388 1.435 30 10 HDEE C[C@H](C1CC1)N(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2270505452 GJSFNICGJURDHW-PBHICJAKSA-N 423.491 1.710 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@@H]3C[C@@H](CO)CO3)c2Cl)OC1(C)C 2281939214 VZPWSYVKXRNPQG-QWRGUYRKSA-N 401.721 1.828 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](F)[C@@H](CO)C1 2282326326 QRXMMMOBGOPQAZ-VXGBXAGGSA-N 405.322 1.307 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@@H]2CCC[C@@H](O)C2)OC1(C)C 2282340668 IPNNUIFBALFBFE-CHWSQXEVSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H]2CCC[C@H]2O)OC1(C)C 2282488053 AGHUUZVQCPWCGD-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE CC[C@@H](O)CN(C1CC1)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282489766 GDGIGQKVDRSBHE-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE CN1CCC[C@H]1CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491431 LKQOBHDNRRTTDQ-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCC[C@@H]2O)OC1(C)C 2282502262 IPTBPTSUKJLWOO-KBPBESRZSA-N 401.359 1.770 30 10 HDEE C[C@H]1C[C@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CCN1 2282506609 VEBDLYHEMLZWQL-GXTWGEPZSA-N 400.375 1.607 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(S(=O)(=O)NCc2ncc(Cl)s2)n1 2282508818 BLWZAGVOLIUBQJ-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE C[C@@H]([C@@H](C)N(C)C(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)S(C)(=O)=O 2282664826 HZLAPWUKVDGMAG-NEPJUHHUSA-N 401.359 1.941 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@H](N)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282825231 IBUMOSTUGFRXHJ-RYUDHWBXSA-N 400.375 1.760 30 10 HDEE Cc1cc(S(=O)(=O)N2CCOC[C@@H]2CF)sc1B1OC(C)(C)C(C)(C)O1 2282832590 BDYPTEZHMFPEMD-LBPRGKRZSA-N 405.322 1.715 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](CN)C(F)(F)F)c2)OC1(C)C 2282850907 VBDYBUKSISDXGX-VIFPVBQESA-N 414.280 1.463 30 10 HDEE COC(=O)[C@@H]1CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282858844 DEUQJTVMNGPDTB-LBPRGKRZSA-N 401.315 1.373 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CO)C3CCCC3)s2)OC1(C)C 2282860773 GIDWUXIJIVYLDA-ZDUSSCGKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CC(F)F)C(=O)O)s2)OC1(C)C 2284407920 QLZMMUGIBWBXTF-QMMMGPOBSA-N 411.257 1.434 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC(c4nncs4)C3)s2)OC1(C)C 2285514938 ZJJPRNNVRDEAMN-UHFFFAOYSA-N 413.355 1.687 30 10 HDEE CN(Cc1c(Br)c(Br)nn1C)S(=O)(=O)CCC#N 2316988578 DESYXDFIDMQYCB-UHFFFAOYSA-N 400.096 1.620 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](NCCC#CBr)(C(=O)O)C[C@@]12CCOC2 2324749619 JYINHMSLTSRYPB-IAGOWNOFSA-N 417.300 1.945 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@H]1CNC(=O)OC(C)(C)C 2365199549 PFAVEQDCFGJQTD-KHYOSLBOSA-N 402.557 1.457 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367790938 IFNRCGLKPJNMJL-OAGGEKHMSA-N 400.541 1.475 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1COC[C@H]1NC(=O)OC(C)(C)C 2367802381 AKGTWVXVICKBRN-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2367815451 GTVKIVVPQBQHBD-CRAIPNDOSA-N 400.541 1.163 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCCNC(=O)OC(C)(C)C 2367818983 NWMPBGSEURDPAV-YJBOKZPZSA-N 402.557 1.601 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](C)(C[C@@H]1CCCS1(=O)=O)C(=O)O 2377814706 HIJFXLWPHUDDGE-KBXCAEBGSA-N 404.529 1.858 30 10 HDEE COc1cccc(/C(C)=N/Nc2nnc(SCC(=O)Nc3ccccn3)n2N)c1 21326022 ODWZKHVXDKMTJK-WSDLNYQXSA-N 412.479 1.962 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(NS(C)(=O)=O)cc3)cc2C1=O 44661445 DMCXPOUXFKUGJL-UHFFFAOYSA-N 413.455 1.770 30 10 HDEE CCn1cc(/C=N/Nc2nc(SCC(=O)NCc3nnc(C(C)C)o3)n[nH]2)cn1 59880043 DGTZSQKRQJHQFY-BLLMUTORSA-N 418.487 1.382 30 10 HDEE C=CCOc1ccc(NCC(=O)N2CCNC(=O)[C@H]2CC(=O)OCCCC)cc1 66227218 IWDBPJDHWMGXIT-GOSISDBHSA-N 403.479 1.724 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 96546422 WSJZGILPRKGYSV-DYESRHJHSA-N 401.463 1.704 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN(c2ncccc2C#N)CC1 108494976 RVAGLVSLFZSIGZ-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE Cc1ccc(N2CCN(CC(=O)N3CC[C@H](Oc4nccnc4C#N)C3)C2=O)cc1 219962623 FDNWGOWIMRFBGM-KRWDZBQOSA-N 406.446 1.579 30 10 HDEE CN(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H](Oc3cc(C#N)ccn3)C2)cc1 238927558 UTQQRMPDJAGDQV-MRXNPFEDSA-N 400.460 1.497 30 10 HDEE C=CC[C@@H](CO)NC(=O)CN1CCN(Cc2ccc(Br)cc2F)CC1 410071337 SCIVIRBCAYXUCW-INIZCTEOSA-N 414.319 1.759 30 10 HDEE CSC[C@@H](C)C(=O)N1CCC(C(=O)N2CCN(c3ncccc3C#N)CC2)CC1 441544375 JOIMSSRPPFERGF-MRXNPFEDSA-N 415.563 1.840 30 10 HDEE COc1cc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)ccc1[N+](=O)[O-] 462926563 RHJRPTHTTYUMBN-UHFFFAOYSA-N 402.432 1.986 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 465946539 CTMMAZQTMSRBJF-KRWDZBQOSA-N 403.483 1.880 30 10 HDEE COC(=O)c1c(F)cccc1S(=O)(=O)N1CCN(c2ncccc2C#N)CC1 467140647 YLQIKPGZZCHPDQ-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(Nc3cnc(C#N)cn3)CC2)cc1OC 475396061 UUTHASQUYFXYIW-UHFFFAOYSA-N 403.464 1.631 30 10 HDEE CCCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CC1 502125140 LNUBKVOXGNLTGG-UHFFFAOYSA-N 419.551 1.449 30 10 HDEE CN(CCNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)S(=O)(=O)c1cccs1 503608436 KDGOHJWOSNXMAY-KRWDZBQOSA-N 415.537 1.746 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)cc1 503704892 PAGFRGZBJKTWKR-INIZCTEOSA-N 421.438 1.242 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NCCC2CCS(=O)(=O)CC2)c1 507922153 YWYYXCRHULCCIV-UHFFFAOYSA-N 421.338 1.814 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCCC[C@H]2CN2CCOCC2)cc1 524693809 MNHYIJVFLLAUIC-IBGZPJMESA-N 405.520 1.186 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(-n4ccnc4)ccn3)CC2)cc1 540036558 VMEOTAVGGJYBAD-UHFFFAOYSA-N 422.470 1.286 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 549138769 IGCPXSBCWDQYFA-UHFFFAOYSA-N 406.508 1.235 30 10 HDEE CN1C(=O)N(CC(=O)N2CCN(c3cnccc3C#N)CC2)C(=O)C12CCCCC2 553697650 ZIYKAHMHKKHLGI-UHFFFAOYSA-N 410.478 1.199 30 10 HDEE N#CCN(C(=O)[C@@H]1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21)C1CC1 562241170 JQGXOGPFBAZPND-GMSFPVLESA-N 401.466 1.980 30 10 HDEE CCOC(=O)C1(C(=O)N[C@H](C#N)c2cc(OC)c(OC)c(OC)c2)CCOCC1 572038718 LULRNCWRJBFWRW-CQSZACIVSA-N 406.435 1.753 30 10 HDEE C[C@H]1CN(c2ccc(CNC(=O)CNC(=O)c3ccc(C#N)cc3)cn2)C[C@H](C)O1 608890087 ZYUNGKVZIFGISL-HOTGVXAUSA-N 407.474 1.613 30 10 HDEE CSc1nc(C)c(CCC(=O)N=c2nc(C)[nH]n2-c2ccc(C#N)cc2)c(O)n1 610232524 AJJKKBYFTNEDNG-UHFFFAOYSA-N 409.475 1.967 30 10 HDEE Cc1ccc(C(=O)NCc2ccnc(-n3ccnc3)c2)cc1S(=O)(=O)NCC#N 726884361 DTERXJMVNZTSNA-UHFFFAOYSA-N 410.459 1.308 30 10 HDEE CCc1ccccc1-n1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccoc2)c1=O 727416358 MICRRSKZSRDFDH-UHFFFAOYSA-N 405.479 1.836 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)C3=CC=CN4CCS(=O)(=O)N=C34)CC2)cc1 728829975 FJOLOGDPATVBSD-UHFFFAOYSA-N 412.471 1.426 30 10 HDEE C#CCN(C(=O)c1nc(NCc2ccco2)ncc1Cl)[C@H]1CCS(=O)(=O)C1 729334000 FWYZOLLHNJKFQO-LBPRGKRZSA-N 408.867 1.598 30 10 HDEE N#CCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 730097778 KLTIESHPKIHEJW-KBAYOESNSA-N 419.503 1.637 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/[C@H](C)c1cccs1 730143765 DTZDCQHLIJKSIT-KBNLPLALSA-N 412.581 1.823 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)COC(=O)[C@H]2CSCN2C(C)=O)cc1 730312669 QTPOKODESUUDQN-QGZVFWFLSA-N 405.476 1.797 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 731649375 MRQOLYCIKOQZGP-LJQANCHMSA-N 407.536 1.587 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(OC)c1 732651036 RDBMTDXGXIDBPV-LPHOPBHVSA-N 412.490 1.507 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C[C@H]1CCCO1 733788542 SDKHGNNGIJJMQA-CQSZACIVSA-N 417.288 1.273 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[S@@](=O)CC)nnc12 733960616 JRLROCDPVMTKNN-NDEPHWFRSA-N 419.532 1.207 30 10 HDEE COC(=O)[C@H](OC(=O)CN(C)S(=O)(=O)c1ccccc1)c1ccc(C#N)cc1 740213000 CBTGEJNIYQWOMC-GOSISDBHSA-N 402.428 1.636 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(CCS(C)(=O)=O)cc2)cc1C#N 747497521 GAHORBDLTRRAPO-UHFFFAOYSA-N 415.471 1.409 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1c(C)oc(-n2cccc2)c1C#N 749092590 AOWLYOADGOYEQY-JHNDHUHGSA-N 411.414 1.816 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)NC2(C#N)CCSCC2)C1=O 756029344 ZAZYAFRXRLTSRH-IBGZPJMESA-N 416.503 1.676 30 10 HDEE Cc1cc([N+](=O)[O-])ccc1C=c1sc(=C(C#N)C#N)n(CCc2cccnc2)c1=O 758070723 VEGROPOTYFXKNS-UHFFFAOYSA-N 417.450 1.791 30 10 HDEE CCCC[C@H](ON=C(C)C)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 758361600 MFCUJXQEFLXWDB-INIZCTEOSA-N 413.544 1.533 30 10 HDEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCCOc1cccc(C)c1 765592914 JPMXWPMOBPSTLY-UHFFFAOYSA-N 410.430 1.787 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCOC2(CCSCC2)C1 771298610 NJKCASCWWNMHPO-CYBMUJFWSA-N 409.533 1.286 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)ccc1Cl 779850636 MEQJHFCZIHOYSY-UHFFFAOYSA-N 414.918 1.230 30 10 HDEE COC(=O)C1CCN(C(=O)[C@H](C)OC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)CC1 780180030 NFWCFWCYZAZCGW-RBZFPXEDSA-N 410.467 1.591 30 10 HDEE CN(CC(=O)Nc1ccccc1Cl)C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1 780210411 PWUIDHHTFJXNRS-LJQANCHMSA-N 415.833 1.885 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CC#N)CC2)c(NS(=O)(=O)C(F)F)c1 781746737 SWJNOQYIMAYBIO-UHFFFAOYSA-N 423.463 1.974 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc3cnccc23)c1=O 782918183 BFBNMBWXVVMORG-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 783348312 XMOCCFUVOVMBCI-UHFFFAOYSA-N 403.464 1.005 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)n1 788636894 BBYYXHUZVGDSTI-UHFFFAOYSA-N 419.507 1.413 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CN3CCN(C)CC3)cc2)n1 790106054 OEDCOLBPVOSSDB-UHFFFAOYSA-N 409.534 1.553 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790696731 BIZVCKZISJRNAW-NRFANRHFSA-N 408.543 1.740 30 10 HDEE C=CC[C@@]1(C(=O)N2CC[C@@H](S(=O)(=O)NC)C2)CCCN1C(=O)OC(C)(C)C 790808733 ROAXOYPFLUJSDE-KDOFPFPSSA-N 401.529 1.482 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CCC(=O)N(CCC)[C@H]2c2cncn2C)n1 793984007 SPHJKIOVKSEERD-WIYYLYMNSA-N 410.522 1.988 30 10 HDEE O=C1CC(=NNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])[C@H]2CCCN12 799464409 ZKQVAOFHKSEJTD-OAHLLOKOSA-N 407.452 1.542 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCC(CNC(=O)C(F)(F)F)CC1 800788212 XODDGKPGIQJYED-ZDUSSCGKSA-N 403.405 1.447 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1c(F)cccc1OC(F)(F)F)n1cnc(C#N)n1 806106689 YNNCALULHIOPSG-ZETCQYMHSA-N 407.305 1.254 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N(CCO)C2CCSCC2)ccc1F 807987063 FDUNQSRRFZYFQH-UHFFFAOYSA-N 402.513 1.620 30 10 HDEE COc1cc(CNC(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)ccc1C#N 811883959 YAPFXMRMEXXLNP-UHFFFAOYSA-N 416.450 1.630 30 10 HDEE CCn1cc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2CC[C@H](C)F)cn1 814710783 RPNFDKDSVLKCTQ-DZGCQCFKSA-N 412.535 1.651 30 10 HDEE CC(C)(C)NS(=O)(=O)c1cc(C(=O)Nc2nc3n(c2C#N)CCOC3)ccc1F 1135005613 BRMVNQYDTJNGSK-UHFFFAOYSA-N 421.454 1.753 30 10 HDEE CCS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c(N)c1 1135335660 HDIHXVNOLHLBCL-UHFFFAOYSA-N 412.515 1.892 30 10 HDEE COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136394690 QDXFCECXTMHILK-GOSISDBHSA-N 416.430 1.863 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Cc3ccccc3)cc2)CC1 1137371430 NUVUAHHSWSQUFE-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE C=CC1(CC(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CN(C(=O)OC(C)(C)C)C1 1137881912 GXXUBEMEMDCMAI-INIZCTEOSA-N 409.527 1.895 30 10 HDEE C=CCn1cc(CNC(=O)c2cc(F)cc(I)c2N)nn1 1142659724 VQIAHSFROTXQDI-UHFFFAOYSA-N 401.183 1.720 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CC3(O)CCCCC3)CC2)cc1 1168042122 APUFFNAOLONLIX-SFHVURJKSA-N 407.536 1.311 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3C)CCCCC2)CC1 1175514618 BFKQHFJKSQXPOQ-UHFFFAOYSA-N 403.548 1.809 30 10 HDEE COC[C@H](NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1)[C@@H]1CCCOC1 1176202783 PCPPRHNONPUVSF-GIVPXCGWSA-N 418.513 1.566 30 10 HDEE COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 1214531398 BVEHAEJZZRDGMG-RYUDHWBXSA-N 415.475 1.793 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 1230168660 XDRVBDBAWDPHOZ-NVXWUHKLSA-N 406.527 1.851 30 10 HDEE CS(=O)(=O)c1cccc([C@@H](NC(=O)NCC#CCO)c2cc(F)ccc2F)c1 1254503271 QCHGRHXEANSNSK-GOSISDBHSA-N 408.426 1.753 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1286322950 IAZITTSQIDTQDA-INIZCTEOSA-N 409.556 1.446 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)N2CCCC2)n1Cc1cnnn1C 1286451782 ATSCZXKRBNPWRW-UHFFFAOYSA-N 422.468 1.470 30 10 HDEE C=CCC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)C1 1286670046 BMLDFEPZUNTZMC-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(=O)NC)c1 1286773717 QPOXXGJXALRGKL-KRWDZBQOSA-N 412.494 1.276 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1286786157 YVBUTDUTQGFIHD-NRFANRHFSA-N 412.494 1.417 30 10 HDEE CCOCc1nnc(N(C)Cc2cccc(C#N)c2)n1Cc1cn(C2COC2)nn1 1297059165 SVLHEYFMJWZPAX-UHFFFAOYSA-N 408.466 1.534 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@@H]1CC=CCO1)[C@H]1CCS(=O)(=O)C1 1300487275 IPCYIPXOJNXBHK-IRXDYDNUSA-N 413.503 1.312 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300496284 PHHGVEIZYQXCFH-ZWKOTPCHSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CC1CCN(CCN(C)C)CC1 1300578533 LUAGOWDQNTVKGZ-NRFANRHFSA-N 412.582 1.519 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCCCS1(=O)=O 1300581271 QKBNJQBZMIJOFG-ROUUACIJSA-N 404.536 1.602 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1300823968 LZEVITPCNUJMOJ-PBWFPOADSA-N 412.332 1.922 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCn3ncc(Br)c3C2)cc1 1300854551 VJHJYMLZPLJPSU-UHFFFAOYSA-N 423.292 1.213 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCc2cccnc2)C1 1301558466 VWXRGEHEUHIMHD-QZTJIDSGSA-N 417.535 1.599 30 10 HDEE CC(C)OCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1303549405 QXUYSFLCPZRPTI-AWEZNQCLSA-N 402.455 1.550 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CC[C@H](C(F)F)N1CCOCC1 1303634581 ROGVBLVTTXDFMK-GDBMZVCRSA-N 422.484 1.773 30 10 HDEE O=C(N[C@H]1Cc2cc(Br)cnc2NC1=O)c1cccc(C#CCO)c1 1304697431 QGZVTVMITXDQHY-HNNXBMFYSA-N 400.232 1.481 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)(C)C)n3CC3(O)CC3)CC2)c1C#N 1304732002 VEAWQURQRMLRPQ-UHFFFAOYSA-N 412.542 1.632 30 10 HDEE N#CC1(C[C@H](O)CN2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CCC1 1307534835 IEXIATHQFLWLGC-HNNXBMFYSA-N 403.508 1.314 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1F 1312566232 PUADZEUMECHOHD-FZMZJTMJSA-N 405.879 1.648 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1314940484 ZYVAJEIYRDFRIX-DLBZAZTESA-N 421.505 1.304 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CN2CCCC2=O)n1CC[C@@H]1COCCO1 1316536174 DGMMDEKFVDDTMC-QGZVFWFLSA-N 402.499 1.336 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(C)C)C1 1358930159 PMZSKDNTRGKELQ-IAGOWNOFSA-N 409.556 1.507 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1358967901 VGXJFWUCJDBHRV-SFHVURJKSA-N 420.510 1.823 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)F)CC1 1359055695 MUXCAXNCHAJJNJ-CYBMUJFWSA-N 416.473 1.280 30 10 HDEE C#CCSCCn1c(Cc2ccccc2F)nnc1N1CCS(=O)(=O)CC1 1359059062 ZTRRODGKURAPBX-UHFFFAOYSA-N 408.524 1.609 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1Cc1nnc2n1CCC2 1359276322 YTVKBCDMZJZNOQ-UHFFFAOYSA-N 424.509 1.830 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)OCC)C1 1359321469 GSGSBEGQXJSRIR-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C#CCN(C(=O)c1cccc(-c2nnc(CCOC)o2)c1)[C@@H]1CCS(=O)(=O)C1 1359870528 AWHXBMWNGHZHAV-MRXNPFEDSA-N 403.460 1.188 30 10 HDEE COCc1nn(C)cc1C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1452953022 CRFIGZNVLFRJKI-UHFFFAOYSA-N 405.462 1.791 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc3c(nc2O)CCC3)s1 1453630992 ALXZULWVGMICQP-UHFFFAOYSA-N 407.517 1.661 30 10 HDEE Cc1c(Br)ccc(F)c1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1457201553 PKDPBHSTQRDRIW-UHFFFAOYSA-N 407.199 1.728 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nn(C)c(C)c3C#N)CC2)cc1 1461171081 COZNRUIPIQRCGR-UHFFFAOYSA-N 417.491 1.648 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1464559367 JYMZBOJBKHWDGJ-HXUWFJFHSA-N 422.460 1.815 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C1 1464944793 BUWNLOITQPCSOS-OAHLLOKOSA-N 407.540 1.222 30 10 HDEE C[C@H]1CN(c2ccccc2NC(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@H](C)O1 1465310186 BFHNDUBWGXIUMU-KBPBESRZSA-N 412.450 1.256 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1470887791 FIEDAPXYWUXTRG-KBPBESRZSA-N 400.435 1.233 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 1478284527 JGINFGMJUWUZRV-JKSUJKDBSA-N 419.469 1.917 30 10 HDEE C=CCn1cc(CNC(=O)N(CCO)Cc2cc(Br)cs2)nn1 1478855301 IXRQCKVLPCGBFH-UHFFFAOYSA-N 400.302 1.992 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCc2ccc(CC#N)cc2)CC1 1478878987 YISQQRAKIPCDQS-KRWDZBQOSA-N 401.511 1.121 30 10 HDEE CCC(O)(CC)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(C#N)C1 1497445746 AUBAGIBIONMNOB-MAUKXSAKSA-N 409.556 1.861 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1502681283 GEASFVMQJZNMCA-MSOLQXFVSA-N 404.450 1.041 30 10 HDEE CCOc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](F)COC 1502917163 MXILATRJFFXKCT-HZPDHXFCSA-N 419.457 1.969 30 10 HDEE CN1C[C@](C)(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC#N)CC2CC2)C1=O 1503671558 APNITLRKLHBNCA-OAQYLSRUSA-N 422.493 1.534 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(O)CCN(C)C1 1504883333 IFVDMBUNAZGSPS-OAQYLSRUSA-N 409.494 1.250 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1507534515 UIMSLTYKXCNLEA-CQSZACIVSA-N 419.489 1.176 30 10 HDEE C#CCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1507578784 AYWPWOXADQXDFE-RTBURBONSA-N 420.517 1.380 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1nnc(C)s1 1507610635 IBSOJGHZCKJTFY-UHFFFAOYSA-N 409.523 1.730 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1507623641 UZMDIGKFQAACSJ-MDZRGWNJSA-N 412.556 1.206 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1CCCC1)[C@H]1CCS(=O)(=O)C1 1507632384 ZWWZCNCKRQRXCL-INIZCTEOSA-N 400.508 1.552 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCOC(C)(C)C)CC1 1507737919 GYSSCXAEXHYOME-UHFFFAOYSA-N 413.526 1.460 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CCC(C)CC2)CC1 1507741152 MSMSUUGVZPXCJE-UHFFFAOYSA-N 416.570 1.512 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507823742 FAQXMRIUZVANJK-LIRRHRJNSA-N 423.514 1.701 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)C1 1507837248 KXKOGAAUUZABPO-AWEZNQCLSA-N 401.533 1.096 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1CC1(C(N)=O)CCOCC1 1507986629 RUFVBCOHDULXGU-UHFFFAOYSA-N 403.458 1.901 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F)C1CC1 1507988029 OSWZEHAFIMVTTI-KRWDZBQOSA-N 417.432 1.764 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2F)CC1 1508079793 DDHUYGWFXGLYMF-UHFFFAOYSA-N 410.457 1.436 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCCO[C@@H](C)C1 1508093725 VQIHTIJDVLRIGP-YJBOKZPZSA-N 413.478 1.708 30 10 HDEE CCOCc1nnc(N(C)Cc2ccc(C)o2)n1CCN/C(O)=C1\N=CC=CC1=O 1516454749 CRLKJQVVIJSVNU-VHEBQXMUSA-N 414.466 1.879 30 10 HDEE COc1cc(N2C[C@@H](C(=O)Nc3nn(C)c(C)c3C#N)CC2=O)cc(OC)c1OC 1529919930 NTTCMVQUSMMBTE-LBPRGKRZSA-N 413.434 1.618 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)C(=O)OCC 1531940027 HFASWXZJCGBXTG-ONGXEEELSA-N 405.929 1.842 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O[C@H]1CCC[C@H](C#N)C1 1535478745 HMATWVLQSBKOLY-GJZGRUSLSA-N 408.476 1.955 30 10 HDEE C#CC[C@@]1(C(=O)NC[C@@]23COCCN2C(=O)OC3)CCCN1C(=O)OC(C)(C)C 1535921991 DGLVSTCZHNRZAU-PMACEKPBSA-N 407.467 1.117 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CCNC(=O)Cc1cccc(F)c1 1538965017 ZLXHXYRENZFLHZ-OAHLLOKOSA-N 414.485 1.372 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCN1S(C)(=O)=O 1538993306 INDVZCYEAMEJNL-CRAIPNDOSA-N 412.519 1.699 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC([C@@H]3COC(=O)N3)CC2)cc1 1539026815 AVVKJUGNELRQHR-KRWDZBQOSA-N 405.476 1.725 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539086122 XRHIOTLMEYTRQN-BBWFWOEESA-N 402.499 1.019 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@H]1C 1539517868 SWHUFIDOJBQILH-ZIAGYGMSSA-N 400.595 1.488 30 10 HDEE C=C1CCN(c2nnc(-c3ccccn3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CC1 1539841230 CRMVJXNDQNPYQU-INIZCTEOSA-N 402.524 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540867391 UXEIGCBVVRDDLP-SFHVURJKSA-N 421.505 1.432 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2occc2C)C1 1540882550 KJWTXXKSMYGKOC-CABCVRRESA-N 409.512 1.619 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1540892306 JOIIMXQMHRTFME-DLBZAZTESA-N 408.524 1.308 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCNc1ccccn1 1541657796 VPZKNPGIKAOCID-LJQANCHMSA-N 400.462 1.755 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)C1 1541987883 HLUCDUJKAONGBL-VQTJNVASSA-N 402.499 1.450 30 10 HDEE COCCNC(=O)[C@H]1CN(C(=O)C2CC2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367690 FROKPQKHFUKYQK-QGZVFWFLSA-N 424.423 1.767 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1555421073 GPHXANRCKUABLC-PGRDOPGGSA-N 424.505 1.415 30 10 HDEE C=CCN(C(=O)CN(C)[C@H]1CCS(=O)(=O)C1)[C@@H](Cc1ccccc1)C(=O)OCC 1556205185 SLLUDCODPFZJQX-OALUTQOASA-N 422.547 1.294 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@@H](n3cncn3)C2)C1 1556270522 VSMVWZBLHZRXRA-OAHLLOKOSA-N 401.268 1.822 30 10 HDEE C=CCn1c(SCC(=O)N[C@H](CO)CN(C)C)nnc1-c1ccc(Cl)cc1 1556504262 QFDGZAFYIMFMIE-HNNXBMFYSA-N 409.943 1.915 30 10 HDEE C#CC1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(OCC)cc3)CC2)CC1 1557601878 BLJYJLATJLGLIY-UHFFFAOYSA-N 420.531 1.473 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 1558612079 MNNXFTZZEPXZEM-AWEZNQCLSA-N 420.512 1.622 30 10 HDEE COc1ccc([C@H](C)NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)c1OC 1564854008 JBHWLDIWPKMXQR-LBPRGKRZSA-N 413.434 1.474 30 10 HDEE C=CCOc1cccnc1C(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1F 1570275739 HOEGJCGPXZNZHR-UHFFFAOYSA-N 409.439 1.584 30 10 HDEE Cc1nc(SCC(=O)NCC2(N3CCOCC3)CCOCC2)c(C#N)c(C)c1C 1584526825 BTJHPUDFSKTXSU-UHFFFAOYSA-N 418.563 1.968 30 10 HDEE C[C@H](CC(=O)N[C@@]1(CO)CCCC(C)(C)C1)/N=C1/NS(=O)(=O)c2ccccc21 1584863478 RYTHVGIZHHPPAM-VLIAUNLRSA-N 407.536 1.951 30 10 HDEE N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1587330074 JRVWGXGVOFREBA-USXIJHARSA-N 407.467 1.746 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(CC)C1 1587861182 HTAIIPGLYGFRJE-VQIMIIECSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1587969575 BAQGHZDXFABHLN-GOSISDBHSA-N 407.478 1.779 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@](C)(O)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588044645 AFDHFYKUJLLMJK-XLIONFOSSA-N 415.519 1.128 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H](C)N(CC)CC)[C@H]1CCS(=O)(=O)C1 1588049749 LELQYGNSFNMVEU-SJORKVTESA-N 418.567 1.630 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@](C)(O)c1ccccc1 1588158423 ASCORIGLVNIDQG-QHCPKHFHSA-N 405.502 1.771 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CC[C@@H](C(F)F)N2CCOCC2)CC1 1588806212 JSOIONZDICFSNO-SFHVURJKSA-N 422.524 1.657 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2C[C@H]2CCOC[C@@H]2OC)CC1 1588923853 OIZLFDSJMNXODE-MSOLQXFVSA-N 401.511 1.173 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC[C@H]1C 1593884087 BJWJIPFJDQKZKT-OLZOCXBDSA-N 421.976 1.305 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN2CCOC[C@H]2C1 1594449458 YYUQMMTXMYOCEV-QGZVFWFLSA-N 402.543 1.637 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCOC[C@H]2C1 1594497791 MJKLTIVBXZPHQP-DLBZAZTESA-N 423.583 1.303 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1594807425 ONXVGFVFTBNMPS-TWOQFEAHSA-N 405.499 1.206 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)[C@@H](C)C1 1596172575 UAIADAKDQCZIHI-INIZCTEOSA-N 412.494 1.273 30 10 HDEE CC(=O)N1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N(C)CC2CC2)CC1 1596282079 BPYYCJDFJSNSOI-UHFFFAOYSA-N 407.522 1.827 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](n2cncn2)C(F)(F)F)cc1 1596727085 FEXYHPKXXDIBFK-CYBMUJFWSA-N 416.385 1.003 30 10 HDEE CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)C1 1603666427 YVPGFNGKBNYQAI-WMZOPIPTSA-N 418.469 1.479 30 10 HDEE Cc1c(Br)ccc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1N 1607498622 WJVSJCXXAJGMMW-UHFFFAOYSA-N 404.224 1.171 30 10 HDEE COc1cc2ncn(CCCC(=O)N3CCO[C@](C)(C#N)C3)c(=O)c2cc1OC 1611488906 DNEWQYJMIQKGJF-HXUWFJFHSA-N 400.435 1.335 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(CC(C)C)n3CCCCCO)CC2)c1C#N 1612472422 RRTNOSMOLWFCGZ-UHFFFAOYSA-N 414.558 1.879 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@](C)(O)C1CC1 1614079731 HCUKSLQMIWSZMA-GCJKJVERSA-N 424.505 1.605 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cccc(C(N)=O)c1 1619989170 CVWHLRLSXRMAGW-VLIAUNLRSA-N 416.457 1.591 30 10 HDEE COC(=O)[C@]1(N2CCN([C@H](C)C(=O)Nc3ccc(C#N)c(Cl)c3)CC2)CCOC1 1620435332 UZXPMNGQBULXLH-VLIAUNLRSA-N 420.897 1.488 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cn1 1624082745 VCVRQMWTVKWWRU-UHFFFAOYSA-N 424.523 1.967 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)n1 1624969021 DFJOEXUFRUUTKZ-INIZCTEOSA-N 411.368 1.752 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NC(C(=O)OCC)C(=O)OCC)n[nH]2)c1C 1629524916 ILEYODGAXKYEFG-UHFFFAOYSA-N 403.439 1.301 30 10 HDEE COC(=O)c1ccc(CNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 1630391115 DXJCNUZTFQFMDZ-UHFFFAOYSA-N 407.473 1.657 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@H](OCc3ccccn3)C2)c1 1631263583 JZCOZOOGPHWRJL-HNNXBMFYSA-N 403.435 1.949 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2(CC(=O)OC)CCCC2)s1 1634623187 TWEGIMPDFQXGJE-UHFFFAOYSA-N 400.522 1.747 30 10 HDEE C=CCC[C@H](NC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1635697491 CGLKSAWLHUGUET-LSDHHAIUSA-N 411.499 1.516 30 10 HDEE CCOCn1nc(C)c(C[C@H](C)C(=O)N(C)CCCc2[nH]nc(N)c2C#N)c1C 1636473061 ZKUKKBNJWFHKPJ-ZDUSSCGKSA-N 401.515 1.941 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)C(=O)/C=C\c1ccc(F)cc1)CCS2(=O)=O 1636976394 XHBILMNSSSNSCY-PAXVZHJLSA-N 423.462 1.423 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](CCCO)C1 1637930350 JGKQIUUORVZMKE-MRXNPFEDSA-N 407.536 1.907 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C1CCN(C)CC1 1639165041 JOKOHALBQMJXMB-UHFFFAOYSA-N 415.515 1.928 30 10 HDEE CC[C@@H](CNS(C)(=O)=O)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1640968867 RBJOUTWBETUTOB-HNNXBMFYSA-N 401.529 1.081 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(=O)nc1O 1641639933 LWYFYWCYSAGWOE-QGZVFWFLSA-N 409.446 1.553 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)CC1 1641698211 IDNKBYUIDMVEOV-OAHLLOKOSA-N 411.412 1.933 30 10 HDEE C=C(C)C[C@@H](NC(=O)CNC(=O)c1ccc(OC(F)F)c(OC)c1)C(=O)OC 1642698270 OOXVBMAHJSBPAT-GFCCVEGCSA-N 400.378 1.650 30 10 HDEE C=CCC1(O)CN(C(=O)c2c[nH]c3ccc(I)cc3c2=O)C1 1645229692 CKBWXHOZEBCUJG-UHFFFAOYSA-N 410.211 1.896 30 10 HDEE C=CCN1CC[C@H](N2CCC[C@@H](NC(=O)C(F)(F)F)[C@@H]2C(=O)OC(C)(C)C)C1=O 1647405137 QYLLOLLYUGAVOL-HZSPNIEDSA-N 419.444 1.627 30 10 HDEE CN(C)Cc1nc(CNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)co1 1647846229 PJTQFRKDIVBBLR-MRXNPFEDSA-N 410.434 1.129 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(c2nccc(Oc3cccc(C#N)c3)n2)CC1 1650729105 AEFURFOREJKSJP-QGZVFWFLSA-N 424.505 1.804 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](Cc3nccs3)C2)cc1S(=O)(=O)NCC#N 1653558238 JKTMNTMRUKZIPC-AWEZNQCLSA-N 404.517 1.958 30 10 HDEE COC[C@H](NS(=O)(=O)c1cc(Br)c(C#N)cc1F)[C@H]1CCCO1 1655168668 FXMCCWQFTIDKPY-QWHCGFSZSA-N 407.261 1.932 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CCS(=O)(=O)c2ccc(C#N)cn2)C1 1655764853 PBWIHCLWMCUQIE-LJQANCHMSA-N 424.523 1.079 30 10 HDEE COCCN(CC#N)CC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 1658886545 LRGQYPYFDDXJAS-UHFFFAOYSA-N 424.523 1.280 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1662817198 GDBBVDLHIPFFIU-UHFFFAOYSA-N 402.455 1.430 30 10 HDEE C#CCn1cc(CNS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)cn1 1664953022 QWQNYLRZJDMDGN-UHFFFAOYSA-N 411.528 1.182 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)C1 1666053491 QPXAHEJIYDCLHJ-MRXNPFEDSA-N 414.572 1.250 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1666707546 BYUREUXBQFROJG-UHFFFAOYSA-N 409.483 1.846 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCCS(C)(=O)=O)cc1 1667321719 DTBASUQOHWAAMT-UHFFFAOYSA-N 403.526 1.439 30 10 HDEE C#CCC1(NC(=O)Nc2cnn(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2)CCOCC1 1667637636 FTNCROQFDRGTOO-HZPDHXFCSA-N 403.483 1.213 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(O)CCC(F)(F)CC2)C1 1681435755 ZJXUTLXPMBNRMQ-STQMWFEESA-N 402.442 1.985 30 10 HDEE C#C[C@@H](NC(=O)NC[C@@H](O)COc1ccc(I)cc1)C(C)C 1682897746 XIWLXOBADMNQQR-UKRRQHHQSA-N 416.259 1.988 30 10 HDEE N#C[C@]12CN(C(=O)NC[C@H](OC3CCCC3)C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1683717712 ZDRNQCTVBDXYSH-CORIIIEPSA-N 409.430 1.456 30 10 HDEE C#C[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1ccccc1 1684095724 VWNPTEVZFRNRJD-WOJBJXKFSA-N 420.517 1.956 30 10 HDEE C#CCN(C)CCCNC(=O)N1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1686634049 IWEFFAXOHFSMGO-QZTJIDSGSA-N 417.554 1.832 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCNS(=O)(=O)CC 1689828306 NEVWQQWPVPKUJY-GJZGRUSLSA-N 423.514 1.954 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C1CC1 1689835562 OTEJQTFZLWKCKJ-CQSZACIVSA-N 415.519 1.333 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC1CC1 1689848381 UMDDYWMUUUYOHJ-ZDUSSCGKSA-N 405.462 1.578 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1689850844 IEMFGIQXXMIHCN-ZIAGYGMSSA-N 419.482 1.416 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC([C@H]2CCCO2)CC1 1689913424 NZXKELYMFKDYTP-DOTOQJQBSA-N 409.556 1.697 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1689986265 LXTMWDMBBFBYLH-QGZVFWFLSA-N 414.531 1.917 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCSCC1 1689998587 QFFRHLHTMBWMRT-UHFFFAOYSA-N 402.568 1.318 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)C1CCCCC1 1690059389 PDEGUXIXRODIPB-HNAYVOBHSA-N 411.572 1.679 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)c2ccccn2)CC1 1690122094 FUXZTJTUISXIFO-KRWDZBQOSA-N 407.522 1.357 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCCN2CCC)CC1 1690124885 WJMUFVAQZQEBQD-UXHICEINSA-N 400.571 1.802 30 10 HDEE C=CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](C(=O)OC)C1 1690452005 VARSJUDQXPTVQM-CABCVRRESA-N 413.544 1.634 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(OC)c(F)c1 1690655312 OGXLIGFJQAKBAY-UHFFFAOYSA-N 418.473 1.503 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1690995457 JKFZTNROWXTBHG-NSHDSACASA-N 418.303 1.819 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCS(=O)(=O)C(C)(C)C 1693550631 CUOAXWASPRJUDW-UHFFFAOYSA-N 417.539 1.393 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](OCCOC)C1 1695794775 NDIUOFPTOGAHDY-GOSISDBHSA-N 422.493 1.718 30 10 HDEE CN(C)CCOCCn1c(-c2cnccn2)nnc1N(C)Cc1ccc(C#N)cc1 1696620999 QPTZSLDLWWGMTQ-UHFFFAOYSA-N 406.494 1.821 30 10 HDEE CN(CC(F)(F)F)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1696666650 ZAAJVJYYBVPRLW-FYWRMAATSA-N 422.371 1.260 30 10 HDEE COC(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1697088336 CTSJZLQXPYEQBN-GOSISDBHSA-N 412.494 1.583 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1705508153 QPFPXRLTMFSFHK-HOTGVXAUSA-N 409.556 1.575 30 10 HDEE C#CCCCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1705521887 ONGPSGWDXJEDKG-LAUBAEHRSA-N 403.527 1.789 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(N)=O)CC1 1705531066 XIRHVVOMAKPBOF-UHFFFAOYSA-N 405.466 1.036 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H]1COc2ccccc2O1)[C@@H]1CCS(=O)(=O)C1 1705562115 XTKDESYWSCYNQQ-CVEARBPZSA-N 402.476 1.053 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1([S@@](C)=O)CCC1 1705575051 WTFAAGLFPFZYMD-KCWXNJEJSA-N 418.563 1.693 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3F)n2CCS(=O)(=O)CC)CC1 1705637351 SVVDQRKFTWRYKA-UHFFFAOYSA-N 405.499 1.274 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCc1cnccn1 1705661658 HITBAJOYDJLVRY-HNNXBMFYSA-N 420.564 1.016 30 10 HDEE C=CCCCn1c(Cc2cccnc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1705821511 ZMJQEKWWBAWJSS-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1705828517 PXKXASMVBRJRLW-QZTJIDSGSA-N 402.499 1.656 30 10 HDEE CC(=O)NCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCC(C#N)CC1 1706060228 MBCIIKVMJGUAAY-UHFFFAOYSA-N 420.477 1.860 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cn(C2COC2)nn1 1706744636 VHMGBUMYVWAKKE-CQSZACIVSA-N 403.450 1.766 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCN2CCOCC2)cs1 1707761118 HAUMROBUZNHEAD-KRWDZBQOSA-N 417.539 1.085 30 10 HDEE CC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)CCO1 1709335146 GRPCCILPRXLTOE-SFHVURJKSA-N 417.473 1.974 30 10 HDEE CN(Cc1cnccn1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1711109899 IGQQPSPIWOFQCN-VHEBQXMUSA-N 408.466 1.183 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@H]1CCn2ccnc2C1 1712455103 PNECFVOHWGDURZ-INIZCTEOSA-N 407.482 1.561 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)CC1 1712705220 KHIXHBBCRSUAAH-UHFFFAOYSA-N 418.523 1.061 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccccc3)n2CCN2CCCS2(=O)=O)C1 1712875760 HGWWQTPTKMRDPF-SFHVURJKSA-N 404.471 1.423 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(OC)c1 1722290957 CLPMQEGLGKEMEG-HNNXBMFYSA-N 405.462 1.632 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1722296963 WNARNZTZPCKRNM-JKSUJKDBSA-N 419.526 1.959 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCNC(C)=O)CC1 1722433685 BFHUSJWHZCUQBC-UHFFFAOYSA-N 401.902 1.275 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)CC1 1722510955 WBSXEOKPXMVWJK-QFBILLFUSA-N 401.536 1.814 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CC)[C@H](C)C1 1722705154 APMBWESFKNVBSU-MRXNPFEDSA-N 416.501 1.829 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1722737092 SNFBGTGNMBGEIH-UHFFFAOYSA-N 418.571 1.844 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCNC(=O)C1CCC1 1722863912 NJDREQWTKCCSFH-OAHLLOKOSA-N 424.509 1.828 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2ccsc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1722870211 QQISAUFSTIQJJC-HOCLYGCPSA-N 422.580 1.808 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)N(C)Cc1ccccc1 1723823789 AMBBRQBDFINPHO-YLJYHZDGSA-N 420.521 1.928 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCSCC1 1730928203 BULRQZRVKFFCLP-UHFFFAOYSA-N 403.508 1.945 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@]1(O)CCCC1(C)C 1730956980 SZRXPCWJHTWHJS-IAGYGMIVSA-N 419.526 1.672 30 10 HDEE C=C(C)C[C@@H](C)C(=O)NCc1cc(O)nc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1736172650 SZRYAZSSTMFJNC-HEGZZJKFSA-N 400.479 1.440 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc2c(c1)CCCO2)[C@@H]1CCS(=O)(=O)C1 1740625760 PIWKSSRHZJZBJQ-GOSISDBHSA-N 414.531 1.841 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC=C(C)C 1740657808 YSCVWNBIGCYZLJ-SFHVURJKSA-N 419.551 1.430 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C/C=C/c1ccccc1 1740686622 UPDAKKNSWCORAH-QPGLYAHGSA-N 414.531 1.980 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2Cc2cccnc2N2CCOCC2)CC1 1740689327 AUWIDOJUPSCWEU-LJQANCHMSA-N 423.565 1.827 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(CC)CCOCC2)CC1 1740690134 HFDDXERQBJTXJY-LJQANCHMSA-N 419.570 1.964 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@]2(C)CCCO2)CC1 1740703797 AMGSPSOUXJNEGA-NRFANRHFSA-N 411.510 1.214 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]2CC[C@@H]21 1740876726 WFOGKPXUQUJHML-IKGGRYGDSA-N 409.556 1.956 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1740938540 IPXBIJASYZYTHX-NRFANRHFSA-N 401.511 1.659 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N(C)CC1COC(C)(C)OC1 1740961415 BHVUSKGVPJWMBW-UHFFFAOYSA-N 414.510 1.401 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCN2CCCO)C1 1740975368 BKNYSFMUCWMSQV-MOPGFXCFSA-N 414.554 1.912 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CC2)C1 1741003294 QTYLWIMIJUEBRE-HNNXBMFYSA-N 412.581 1.716 30 10 HDEE CC(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1741520792 XJYWTGAEMVHNKF-QGZVFWFLSA-N 407.478 1.010 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)C[C@H](C)c1nccs1 1748731934 OTWFDWSROPNYRL-KBPBESRZSA-N 410.569 1.998 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCn2ccnc21 1748905484 FNVOICXGZVKFHU-GJZGRUSLSA-N 405.528 1.122 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 1748964657 LZQUYJHIGSDLFV-IBGZPJMESA-N 404.603 1.979 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2C[C@@H](C)N(C)C)CC1 1748984801 ROVUXPGTBORMPX-QGZVFWFLSA-N 412.538 1.668 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1749189481 LAJGFZLATCPKGG-UONOGXRCSA-N 401.471 1.890 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1749398555 KMTYRTLBQKLEOX-DNVCBOLYSA-N 407.540 1.601 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)NCC)CC1 1749402407 NKGDUJJXOHKJPH-INIZCTEOSA-N 424.571 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N1CC[C@](F)(C#N)C1 1749727434 UMRORCWDBAQVLD-IBGZPJMESA-N 419.482 1.996 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)S[C@H](C)C1 1749733757 BLIWFCCKQVOBGQ-QLFBSQMISA-N 400.570 1.713 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cnccc1OC 1750006628 HUDDKLADLIZYEH-GDBMZVCRSA-N 402.455 1.183 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1CCn1cncn1 1750141466 XASKLUXVRBNOGZ-HOTGVXAUSA-N 400.487 1.424 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCC(=O)N1 1750790610 ARFBYXPJCDGWEK-MRXNPFEDSA-N 424.509 1.970 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1751273813 HXNWWIQFAUKOSK-MGPUTAFESA-N 408.466 1.458 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCNS(C)(=O)=O)CCS1 1752311444 AWTCSCFGOACJCG-AWEZNQCLSA-N 420.564 1.698 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(N(C)C)CCOCC1 1760248423 LHTFIMWPODACHN-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCC(=O)NC(C)C)CC1 1760263215 SAXXXFMZBVCTMR-UHFFFAOYSA-N 400.552 1.600 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCC2(O)CCC2)CC1 1760269497 JWODXQKLSSKIQL-GOSISDBHSA-N 415.538 1.443 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@H]2CCc3nccn3C2)CC1 1760270375 PPPDSTGFFKEWNJ-GOSISDBHSA-N 423.565 1.902 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1760527262 QKFTWRWYCPGBKJ-IAGOWNOFSA-N 411.462 1.480 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(F)(F)F)C1 1760543322 RPLLYMUEWIAEHF-STQMWFEESA-N 403.405 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1760551811 SJPZOPYWWWGISY-OAHLLOKOSA-N 401.492 1.643 30 10 HDEE Cc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1762637384 QUZXNXGZXRVEJR-ZYGCFWSJSA-N 417.473 1.857 30 10 HDEE Cc1noc(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC(C#N)CC2)n1 1762671184 DGTBHIUZMMYKII-UHFFFAOYSA-N 421.465 1.990 30 10 HDEE CCCN(CCC)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1766020850 LUWMVJIJVQQJDQ-QFPXGYFVSA-N 402.499 1.935 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1 1766678647 XCPBXZMCDBLUIO-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE CNC(=O)CCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@](C)(O)CCOC 1767767946 HWFGKYVVRSCCQA-FQEVSTJZSA-N 400.483 1.177 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1769996247 WEAMDKUBUFSYIC-HLIPFELVSA-N 424.521 1.412 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCCS(=O)(=O)C2)C1 1770727182 CTZJWTODLJRPBF-RDTXWAMCSA-N 404.471 1.607 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2C[C@@H]2CC(F)(F)CO2)cc1 1771534840 QLYWLOWAWNZRQM-HNNXBMFYSA-N 418.404 1.089 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccnc2)nnc1N1CCC(C)(C#N)CC1 1772887203 KYNJFFSRUKHLIV-UHFFFAOYSA-N 417.539 1.800 30 10 HDEE C=CCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@H]1CCN(C)C1=O 1848997605 IFPGIAIMQDKZTR-LBPRGKRZSA-N 406.291 1.500 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)N1CCC2(CC1)C[C@@H]2C#N 1849222258 MRBWEHDMAPOEIY-IAGOWNOFSA-N 404.536 1.944 30 10 HDEE O=C(NCC#CCN1CCCC1)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1850056063 MLPMNSUXQJPHRS-QGZVFWFLSA-N 407.511 1.442 30 10 HDEE C[C@H](C(=O)NCC1CCN(c2ncccc2C#N)CC1)n1nnc2ccccc2c1=O 1850064656 LDKLKPVUIFWJLF-OAHLLOKOSA-N 417.473 1.652 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)N2CCc3ccccc32)CC1 1851220919 CIWWCFVPIKDMRG-MOPGFXCFSA-N 401.470 1.827 30 10 HDEE N#CCCn1nc2c(c1NC(=O)C1CN(C(=O)COc3ccccc3F)C1)CCC2 1851404269 NWKSPOYFVPYTEC-UHFFFAOYSA-N 411.437 1.900 30 10 HDEE C=CCC1C(=O)NC(=NC(=O)c2ncn3c2CO[C@@H](c2ccc(C)cc2)C3)NC1=O 1852679832 YXKULGBAENAWNF-MRXNPFEDSA-N 407.430 1.398 30 10 HDEE COc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CCO[C@@H](C#N)C2)c2ccccc2)cc1 1852748109 ASUAJVMBNFCMHD-PKOBYXMFSA-N 415.471 1.466 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1CC(=O)N(C)Cc1ccccc1 1853877804 VISDFIHYMTUSJA-INIZCTEOSA-N 405.458 1.285 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)[C@H]4CCCS4)C(=O)C3)C2)c(F)c1 1854355460 YRNMEUHCXTVTQU-PKOBYXMFSA-N 416.522 1.838 30 10 HDEE Cc1ccc(C(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)cc1F 1854401998 WJKOTYSADGFWRR-UHFFFAOYSA-N 407.467 1.975 30 10 HDEE COc1cc(=O)n(C)cc1C(=O)N1C[C@@H](C2CCN(CCCC#N)CC2)CC1=O 1855020278 HXGPMAGZICXGOU-INIZCTEOSA-N 400.479 1.398 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](C3CCN(Cc4cccnc4)CC3)CC2=O)CC1=O 1855116002 RAWOCNRXUXXXDE-VQTJNVASSA-N 410.518 1.703 30 10 HDEE CN(C)c1ccc(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)cc1 1855389464 DGCIRWLUOGPRAJ-QGZVFWFLSA-N 401.444 1.786 30 10 HDEE N#CC1(c2ccccc2)CCN(C[C@H]2CC(=O)N(C(=O)Cc3cncnc3)C2)CC1 1855853355 VTFAREANAFLKPX-LJQANCHMSA-N 403.486 1.952 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1CCN(C(=O)CC#N)C(=O)C12CCCC2 1856309951 WGKRZGROSVHAKN-UHFFFAOYSA-N 405.476 1.590 30 10 HDEE COc1ccc2nc(N3CCN(C[C@@H]4CC(=O)N(C(=O)CC#N)C4)CC3)sc2c1 1856347195 MALSHGPHRPHWAE-AWEZNQCLSA-N 413.503 1.716 30 10 HDEE COCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC4(CC3)C[C@H]4C#N)ccc21 1856528708 SHIYKYRREKNXKB-HNNXBMFYSA-N 417.487 1.453 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@@H](N(CCOC)Cc3cccn3C)C2=O)CC1=O 1856756851 KRVYZVBTQKQQGH-IEBWSBKVSA-N 416.522 1.026 30 10 HDEE CN(CCC#N)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cc1cccnc1 1856904292 BGWLGXWXZJAYQI-UHFFFAOYSA-N 412.471 1.664 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CN3CCC(S(C)(=O)=O)CC3)CCC2=O)cc1C#N 1856964190 SSKDBROMGVPZRY-INIZCTEOSA-N 417.531 1.755 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)[C@H](C)CN(S(=O)(=O)CC)c3ccccc32)CC1=O 1857101639 RZQXFJPIITWYDA-HUUCEWRRSA-N 419.503 1.387 30 10 HDEE CCN1CCN(C(=O)C(=O)/C=C/c2ccc(OCC(=O)N(CC)CC)cc2)CC1 1860634769 BMJYEUVQIHHYJC-FMIVXFBMSA-N 401.507 1.680 30 10 HDEE C=CCNC(=O)[C@H](CCC(N)=O)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)n1 1860945251 OTBFLKVKHXRIDN-HNNXBMFYSA-N 403.870 1.500 30 10 HDEE COc1cccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)c1 1870106826 IFXWNBGUJGOPOY-UHFFFAOYSA-N 416.397 1.441 30 10 HDEE C=CCN=c1nc(N2CCC[C@@H](C)C2)[nH]c(=Nc2ccc3c(c2)C(=O)N(C)C3=O)[nH]1 1871633368 YFKQKWYLFDFAHE-CYBMUJFWSA-N 407.478 1.519 30 10 HDEE C=CCN([C@H](C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1)S(=O)(=O)C1CC1 1872271521 OKNQPTCSIAZBHF-MRXNPFEDSA-N 406.552 1.746 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2/N=C/c2ccccc2C(=O)O)CC1=O 1874341166 CQTDQZUYOKHFFN-ANKPHQHTSA-N 417.491 1.667 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)[C@H](N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1960393368 DNJJFKVVYRPRHJ-KLHDSHLOSA-N 410.515 1.848 30 10 HDEE C#C[C@@]1(O)CCCN(C(=O)CN(CCNC(=O)OC(C)(C)C)Cc2ccccc2)C1 1984814626 VZZPGRBDIHPILT-HSZRJFAPSA-N 415.534 2.000 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985778724 CNXBVNWMQBRPIX-KRWDZBQOSA-N 406.332 1.961 30 10 HDEE C#CC[C@@](C)(CO)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2084847959 LAAPPSPWRGOGLF-HXUWFJFHSA-N 406.504 1.250 30 10 HDEE C#CCn1ncc(NCC2CCN(C(=O)C(F)(F)F)CC2)c(Br)c1=O 2106080128 LAUKJEHBALERGV-UHFFFAOYSA-N 421.217 1.852 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2174785079 VALHDXZASYFUCI-IIDMSEBBSA-N 401.529 1.870 30 10 HDEE C#CCN(CC(C)(C)C)C(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2180103690 HHZUPBJINIIHCP-OAHLLOKOSA-N 400.541 1.919 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](NS(=O)(=O)N2CCC(C#N)CC2)C1(C)C 2184353893 QGHGMIYIZTUCLX-LSDHHAIUSA-N 400.545 1.996 30 10 HDEE Ic1cnn(CCN=C2N[C@H](C[C@@H]3CCOC3)CS2)c1 2195433979 HDIOFLMGZRBVLJ-CMPLNLGQSA-N 406.293 1.975 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2ccccc2C#N)s[nH]1 2238244809 PWTTZYBTCZPNEW-UHFFFAOYSA-N 409.493 1.700 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247812905 SSFKZEJCJCRSNG-CQSZACIVSA-N 420.315 1.601 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c[nH]2)[C@H](O)C1 2247865333 STPRMZQSSMYRMB-LSDHHAIUSA-N 421.303 1.024 30 10 HDEE C[C@H](CO)[C@@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267352279 CRKVFYADZHFBJT-NXEZZACHSA-N 409.766 1.996 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H](O)C(F)(F)F)c2)OC1(C)C 2267714546 YCPWPIICWSIBMC-VIFPVBQESA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N[C@@H]3C[C@H]3N)c(Cl)c2)OC1(C)C 2267725108 TUTQBCSKZMFBEX-VXGBXAGGSA-N 407.128 1.671 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3(CN)CCOCC3)c2Cl)OC1(C)C 2281932048 IKSBEYNRFLEVKP-UHFFFAOYSA-N 400.737 1.938 30 10 HDEE CCCS(=O)(=O)CCN(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282025556 QEVZHLFACWGOBO-UHFFFAOYSA-N 401.359 1.944 30 10 HDEE C[C@@H](CS(=O)(=O)N(C)C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282058745 YXIGXGKWDMKLTM-NSHDSACASA-N 402.347 1.057 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@]1(C)CCC[C@@H]1O 2282306321 LPAQBWMZDCFNOX-GUYCJALGSA-N 401.359 1.938 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2CCNCC2)sc1B1OC(C)(C)C(C)(C)O1 2282320570 KJADIZQQMPJNLU-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC(C)(O)CC1 2282321701 AQUNJHBQEDASIX-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CCN(CC)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282353226 UHSKGPSENKYJKB-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCCC34OCCO4)cc2)OC1(C)C 2282424201 ZAIXSAVORIIZPO-KRWDZBQOSA-N 423.340 1.950 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCSC[C@H]2CCO)OC1(C)C 2282495134 IGKQDTGIILVBJN-GFCCVEGCSA-N 419.399 1.536 30 10 HDEE C[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282496297 YPFKHAWLNXXPNU-NEPJUHHUSA-N 401.721 1.783 30 10 HDEE C[C@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)N(C)C1CC1 2282498839 KDTCUEPRFYFEDO-GFCCVEGCSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CCC[C@H]2CO)OC1(C)C 2282502175 HKEYVQNKJYBQQH-RYUDHWBXSA-N 402.347 1.023 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCO[C@@H](CCF)C2)OC1(C)C 2282502539 MSACVRIAIGECSQ-LBPRGKRZSA-N 405.322 1.796 30 10 HDEE C[C@@H]1NCCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282506733 WRJRGLPVUNRDDD-RYUDHWBXSA-N 401.363 1.002 30 10 HDEE Cc1nc(C(=O)N=[S@](C)(=O)CCCCN)c(B2OC(C)(C)C(C)(C)O2)s1 2282512878 LIGSFUDVJGJCKQ-AREMUKBSSA-N 401.363 1.728 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)N[C@H](C)[C@H](C)S(C)(=O)=O 2282651890 HLJWXBVWDUFVPZ-NEPJUHHUSA-N 401.359 1.907 30 10 HDEE CN([C@@H](CO)CC1CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282848985 VEDMRMHHVIXPJB-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE COCC[C@](C)(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282854360 QNIIPQUUOVLIJF-INIZCTEOSA-N 405.347 1.113 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(C)CCC[C@@H]3O)s2)OC1(C)C 2286913148 KTZOEKGNSVGSSS-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2ccc3c(c2)CCN3S(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2295338593 YUYOKTZPZABSTR-UHFFFAOYSA-N 421.324 1.584 30 10 HDEE CC1(C)OB(c2ccc(CN3CCS3(=O)=O)cc2Br)OC1(C)C 2306241240 GZVTVWIQZSORBQ-UHFFFAOYSA-N 402.119 1.894 30 10 HDEE Cn1cc(I)c(Cn2cc(Br)cc(C#N)c2=O)n1 2319219625 BGTUIBDJCKURQC-UHFFFAOYSA-N 419.020 1.869 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N=c1ccc2ncc(Br)n2[nH]1 2326729449 QMDNAVQWSRXHLW-SNVBAGLBSA-N 408.256 1.769 30 10 HDEE COc1cc2c(C=NN=c3ccc4nnc(C)n4[nH]3)c(C(=O)O)n(C)c2cc1OC 2328793035 LJHISJQTVGLGSV-UHFFFAOYSA-N 409.406 1.508 30 10 HDEE COC1(C#C[C@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)CCC1 2362588337 YJPAWAXUIVSSQF-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365208614 SRBHWVCAQHSAAO-XLPNERPQSA-N 400.541 1.603 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)CC(C)(C)NC(=O)OC(C)(C)C 2365209397 VLAUNFSHVOPLIZ-LSDHHAIUSA-N 404.573 1.845 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2365213896 YVTGVLIDTMIRSY-UGUYLWEFSA-N 400.541 1.568 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CC2)OCC1(C)C 2367800561 KTXCKUGYRKVVKG-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE CO[C@@H]1C[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367804802 WUSSSWLFMMQRLR-BZUAXINKSA-N 400.541 1.556 30 10 HDEE COc1ccc(OC)c(NC(=O)CSc2nnc(N/N=C/c3ccco3)n2N)c1 20527801 IUUUNJZMKFWQSL-DJKKODMXSA-N 417.451 1.779 30 10 HDEE CC(C)C[C@H](C(=O)N[C@@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO 44699818 FWFGIHPGRQZWIW-KSZLIROESA-N 406.479 1.858 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@H]2c2cccc(Br)c2)CC1 64486957 VTTYBPJCQNERGW-IRXDYDNUSA-N 406.324 1.999 30 10 HDEE O=C(NO)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(OC(F)(F)F)cc1 247425779 SKMRQNJIIPQIOG-AWEZNQCLSA-N 404.366 1.980 30 10 HDEE N#Cc1cnc(N2CCN(C(=O)COc3ccc(Br)cc3)CC2)cn1 302288936 MSTQPWZLCGIQQU-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE COC(=O)[C@@H](C)S(=O)(=O)Nc1cc(Cl)ccc1B1OC(C)(C)C(C)(C)O1 404881966 AOOWIWVKOYXZDF-SNVBAGLBSA-N 403.693 1.942 30 10 HDEE Cc1ccc(C(=O)N2CCC(Oc3cnccn3)CC2)cc1S(=O)(=O)NCC#N 427817476 LVSHMKPPJBSCKG-UHFFFAOYSA-N 415.475 1.271 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1S(=O)(=O)NCC#N 435996706 QORQGMQYPNLAMX-TWOQFEAHSA-N 421.519 1.596 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccnn2[C@H]2CCS(=O)(=O)C2)ccc1Cl 437318652 OESYTTWWNFIZIR-NSHDSACASA-N 400.869 1.569 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 460764679 GFDFFQIGUCADAQ-UHFFFAOYSA-N 403.445 1.343 30 10 HDEE N#Cc1ccc(OCCNC(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 466098143 ATKQZNUFAIGILA-UHFFFAOYSA-N 422.441 1.833 30 10 HDEE Cn1ccnc(N2CCN(CC(=O)c3cn(CCC#N)c4ccccc34)CC2)c1=O 467165548 MWVMYUUJUKTNDY-UHFFFAOYSA-N 404.474 1.654 30 10 HDEE CN([C@]1(C#N)CCOC1)S(=O)(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 471908203 XDCQPKHSONRKOV-KRWDZBQOSA-N 413.521 1.164 30 10 HDEE N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCCN(CCO)C3=O)c2)c1 473671557 WTBYFPCWZQPNJH-LJQANCHMSA-N 421.457 1.915 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C#N)cc1F)CC2 481068064 GXGQSEWRRBDYBW-UHFFFAOYSA-N 409.464 1.498 30 10 HDEE Cn1cc(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c(C(F)(F)F)n1 486480260 FZYZASWYLMXHSV-HNNXBMFYSA-N 420.395 1.911 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCN(c4cccnn4)CC3)C2=O)cc1 488247077 APHRQJZVQUAZMZ-IBGZPJMESA-N 419.489 1.371 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2csc(-c3ccccc3)n2)CC1 500447640 ROQKEBZEPQHRLW-UHFFFAOYSA-N 406.533 1.419 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1 505742097 OBGXIJKGWJRRPM-OAQYLSRUSA-N 406.527 1.405 30 10 HDEE N#Cc1cccnc1N1CCN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 506954144 PFLKHCSFYCAZMY-UHFFFAOYSA-N 410.547 1.481 30 10 HDEE C=CCOc1ccccc1CNc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 512649212 UZZKTJCMWFCZHI-UHFFFAOYSA-N 401.488 1.984 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)CC1 518286791 LHCYVTVHPFZWOP-UHFFFAOYSA-N 419.489 1.184 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccc(F)cc1 523467541 XNNBJUYPZFHDSQ-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE COCc1nc(C)c(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 533879754 UOMUAAGFYYKPOK-UHFFFAOYSA-N 420.516 1.616 30 10 HDEE C[C@H]1CC(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C[C@H](C)O1 535058961 PWHORDMZHNNUGP-GJZGRUSLSA-N 406.508 1.530 30 10 HDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N(C[C@H](C)C#N)C2CC2)s1 536904954 LAAPMTOEYGMDPU-GFCCVEGCSA-N 405.567 1.543 30 10 HDEE Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)NCCOc1ccc(C#N)cc1 537900220 NNTQUEAZXMBXDF-MRXNPFEDSA-N 417.491 1.932 30 10 HDEE Cc1ccccc1N=c1nc(N)nc(CN2CCN(c3cccc(C#N)n3)CC2)[nH]1 544878099 HQLSBWOJWWRYGT-UHFFFAOYSA-N 401.478 1.517 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@@H](CN3CCOCC3)c3ccccc3)CC2)n1 546174484 WOSGPFXOHNLOOG-NRFANRHFSA-N 420.517 1.858 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@@H](OC)C1 549645729 YXBGNBFSFHLKLW-JYJNAYRXSA-N 413.544 1.048 30 10 HDEE C#CCN(c1ccc2c(c1)OCC(=O)N2C)S(=O)(=O)c1cc(OC)ccc1OC 586248176 QVWMFZJWSMJRMI-UHFFFAOYSA-N 416.455 1.888 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)c(F)c1 586859238 XEKKANRUBLLDPN-IBGZPJMESA-N 405.433 1.550 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCCCCn2cc(Br)cn2)c(F)c1 586859728 GVIMWSYKHISCLF-UHFFFAOYSA-N 422.258 1.869 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nnn(-c3cccc4ncccc34)c2C)CC1 596080068 YZXADKYZZJGEPA-UHFFFAOYSA-N 419.489 1.184 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2sccc2C)c(=O)n1C[C@H]1CCCO1 603799536 RSSMSCAFJPGESZ-CQSZACIVSA-N 415.540 1.264 30 10 HDEE Cc1cc(N2CCN(C(=O)c3cc4ccccc4n3CC#N)CC2)n2ncnc2n1 609162584 DLOJDNOBQJQIIZ-UHFFFAOYSA-N 400.446 1.873 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OCC)cc2)C1)[C@H]1CCS(=O)(=O)C1 729332579 ZXISZZIIKKLLLZ-WBVHZDCISA-N 404.488 1.087 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(NC(=O)c3ccoc3)c2)CCN1C1CC1 732706082 DNNMVHUUCUUKCA-SFHVURJKSA-N 407.430 1.669 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC)cc2C(N)=O)cc1 737944364 RPFAFSZJUNTKCW-UHFFFAOYSA-N 401.444 1.348 30 10 HDEE N#C[C@H]1CN(C(=O)Cc2csc(NC(=O)c3cccc(O)c3)n2)CCN1C1CC1 746885257 DRZRXGZGQOHBDF-INIZCTEOSA-N 411.487 1.842 30 10 HDEE CCn1cc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2CC2(C)CC2)cn1 751926553 VRUIKJMIBUVLBF-HNNXBMFYSA-N 406.556 1.703 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)c1ccc(OC)c([C@]2(C)NC(=O)NC2=O)c1 757362278 QBWDNFKYFNBCKM-IBGZPJMESA-N 405.476 1.316 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cc(I)cc(C(=O)OC)c1 760900198 CLTJAYTWTHKAIK-UHFFFAOYSA-N 400.172 1.156 30 10 HDEE CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 761679819 HRMUZWONOIFYHV-UXHICEINSA-N 413.522 1.584 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC12CCOCC2 768001488 ITPYTOBNNYOUAS-MRXNPFEDSA-N 405.520 1.921 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](N(CC(=O)O)S(=O)(=O)CC2(C#N)CCCC2)C1 772199516 FIIVOHNFSHBKKQ-AWEZNQCLSA-N 415.512 1.796 30 10 HDEE CC(C)Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cncc3ccccc23)c1=O 772896172 BOPPKHTXWHOFDK-UHFFFAOYSA-N 418.522 1.896 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N[C@@H](c2ccccc2)c2nc[nH]n2)C1 782995620 LWQOKHHSIRNUMF-JYJNAYRXSA-N 411.466 1.952 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nc3ncc(Br)cn3n2)n1 788818170 HMFWOHGOXNVYMK-UHFFFAOYSA-N 418.255 1.005 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCNC(=O)c2ccccc2F)n1 788893426 KSTOTILXIWQZKH-UHFFFAOYSA-N 401.442 1.243 30 10 HDEE COc1cc(Br)c(F)cc1S(=O)(=O)NC(=O)c1ccnc(C#N)c1 796828493 UKQUIXLVGNTIKF-UHFFFAOYSA-N 414.212 1.982 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NC2(CO)Cc3ccccc3C2)[C@H](C#N)C1 798110960 PPILWVKMASWAOF-IAGOWNOFSA-N 400.479 1.575 30 10 HDEE N#Cc1ccnc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)c1 803848991 OEGMNGHFMDTALO-UHFFFAOYSA-N 414.443 1.533 30 10 HDEE O=C1COC[C@@H](C[C@@H]2CN(C(=O)C#Cc3ccc4c(c3)OCO4)c3ccccc32)N1 809247364 MVVHRIFYGNMEML-IAGOWNOFSA-N 404.422 1.802 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccc(CN3CCOCC3)cn2)C1 811042467 MVKCYXWGJHMLPG-WMZOPIPTSA-N 415.494 1.403 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N(CC)Cc2ccccc2)cc1 811830612 WKGYGXVMPFCEJW-UHFFFAOYSA-N 414.483 1.804 30 10 HDEE Cn1ncc(-c2csc(=NC[C@@H]3CCCO3)n2N=Cc2cnn(CC(F)F)c2)n1 814186453 GACBDFNDYXFPND-ZDUSSCGKSA-N 422.465 1.769 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1 912996836 IRAXYNZLOMGGSP-UHFFFAOYSA-N 419.425 1.040 30 10 HDEE CC(C)CN(C(=O)COC(=O)[C@H](C)Oc1ccccc1C#N)[C@@H]1CCS(=O)(=O)C1 914595290 YBQLDVUAGWURNX-DOTOQJQBSA-N 422.503 1.540 30 10 HDEE C[C@H](C(=O)N(CCC#N)Cc1cccnc1)N1CCN(C(=O)OC(C)(C)C)CC1=O 1126341324 UXFMKFNMHNABIZ-MRXNPFEDSA-N 415.494 1.792 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 1131941368 OJTJHMSZEVXBEY-CYBMUJFWSA-N 402.563 1.644 30 10 HDEE Cn1cc(N2C[C@H](C(=O)NCc3ncc(-c4cccc(C#N)c4)[nH]3)CCC2=O)cn1 1137430337 LRVMWWJXSGZFDR-MRXNPFEDSA-N 403.446 1.741 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](c1ccc(C)o1)N1CCCC1)c1cc[nH]n1 1143106316 KWQWNFIDNFJCMB-INIZCTEOSA-N 417.466 1.548 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(N3CCOCC3)CC2)s1 1149480207 BBTDPLCNGCHEJG-UHFFFAOYSA-N 413.565 1.078 30 10 HDEE C[C@](CO)(NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(Br)cc1 1163431072 KHKCVZNVKOPUKZ-IECKCJDVSA-N 422.279 1.689 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1c2ccccc2C(=O)N1C 1171491259 SMNYHCYZROWDBN-FZKQIMNGSA-N 412.471 1.168 30 10 HDEE C=C1CCN(C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)CC1 1202318843 YKWMJMBQWGLBCP-UHFFFAOYSA-N 408.524 1.957 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(NC(C)=O)c(Br)c2)nn1 1212242255 XMULZIIFCKDWLQ-UHFFFAOYSA-N 414.285 1.664 30 10 HDEE C=CCn1cc2ccc(NC(=O)NCCNS(=O)(=O)c3cccnc3)cc2n1 1220157415 JFHQOXAEFSQJQO-UHFFFAOYSA-N 400.464 1.717 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 1230535913 SSZPUNIZWXTKOK-KRWDZBQOSA-N 412.538 1.284 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC23CC(CN2C(=O)OC(C)(C)C)C3)CC1 1231362917 SZHXGQVPCSKHOG-UHFFFAOYSA-N 404.511 1.557 30 10 HDEE CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1234532983 PMSXHHXRUBQUKD-HINSOXJESA-N 411.911 1.996 30 10 HDEE CN(Cc1ccccc1)C(=O)CNC(=O)CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21 1248473240 LYYRSAJWNVUDLP-HXUWFJFHSA-N 419.485 1.620 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)C1 1248674879 BENNQWHFSKOZJV-KRWDZBQOSA-N 424.954 1.454 30 10 HDEE C#CCCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@]1(OC(C)C)CCOC1 1286359607 FMGTZWFINAKLFD-SFTDATJTSA-N 403.527 1.695 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(OC)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1286392066 AJJBMEBWYOTDHU-QGZVFWFLSA-N 424.567 1.791 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC[S@](=O)CC)CC1 1286485453 MIZCOERPCXCCLT-QRVLEJSBSA-N 421.611 1.721 30 10 HDEE CC(C)(C)c1nnc(N2CC[C@@]3(CCOC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1287002759 NMCXMZFLRBFLTD-NONRQZMLSA-N 414.510 1.719 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2ccc3c(c2)CC(=O)N3C)ccc1F 1289750332 WFJBAQMSDYXSEY-UHFFFAOYSA-N 417.462 1.739 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)CCOC1 1296583979 HKJSBBVHZHKGNQ-LPHOPBHVSA-N 423.539 1.105 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@@H](c3ccnn3C)C2)s1 1296943832 XKDNUIFXJJDDCX-CQSZACIVSA-N 408.549 1.895 30 10 HDEE CCCC[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C(=O)NCc1ccnc(C#N)c1 1297365393 HHNJPIRRQMUEPT-PBHICJAKSA-N 401.511 1.795 30 10 HDEE CCO/C=C/[C@](O)(CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)C(F)(F)F 1298577108 VEPVJIWBDSTBGZ-WAVCKPEOSA-N 420.409 1.433 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@@H](C#N)C3)n2CCNC(=O)C2CC2)cc1 1300125526 GWNYACTUYAXUQA-IBGZPJMESA-N 424.505 1.327 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccccc1OCC)[C@H]1CCS(=O)(=O)C1 1300499562 UUAJFOXGOFNQIL-KRWDZBQOSA-N 402.520 1.914 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1300880838 LBDONLRYIPXLEK-VQIMIIECSA-N 414.510 1.549 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc(C(=O)NC(C)C)n1Cc1cnnn1C 1301399056 DBOFPHKKMNWGFL-UHFFFAOYSA-N 408.510 1.828 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1301584929 GGNWHJHYBWNWFU-LSDHHAIUSA-N 410.496 1.651 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCC(=O)N1 1301808406 CYEZBBCZJQTQFS-QGZVFWFLSA-N 400.458 1.653 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCCC[C@H]3CNC(=O)NC)ccc2c1=O 1302487385 HRPCHXGQDWAURU-AWEZNQCLSA-N 415.519 1.795 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1303310062 LDUHJUWSZZWKGS-KRWDZBQOSA-N 400.385 1.686 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1OCCC1(C)C 1303824728 ZTJJAROTQFNVJE-HIFRSBDPSA-N 410.544 1.443 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1305637112 FBFPGQIGINWEEV-ZBFHGGJFSA-N 422.555 1.225 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1309654420 KQBIBKAXGWTNGR-UHFFFAOYSA-N 417.528 1.061 30 10 HDEE C=CCN1CCC(NC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 1311893510 AQTOLGFPLBLOQV-UHFFFAOYSA-N 406.552 1.873 30 10 HDEE C=CCn1cc(CNC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)nn1 1312898134 INSILXXSERUYBT-DHDCSXOGSA-N 413.463 1.395 30 10 HDEE C=C1CCC(CNC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 1313258833 VPXNWUSYOAJRKV-IAGOWNOFSA-N 414.572 1.414 30 10 HDEE COCC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2=CCCOC2)CC1 1315742929 AWOKYNGYXORIGT-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1CCN1CCCC1 1316101622 NMNWYEDAVZERRR-UHFFFAOYSA-N 415.498 1.468 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccn2C(F)F)CC1 1316532975 CTGANMZDOWGXRQ-UHFFFAOYSA-N 404.425 1.894 30 10 HDEE CCOCCN/C(S)=C(/C(O)=C1C=CC(=NS(C)(=O)=O)C=C1)[n+]1ccccc1 1318252385 GOXPMQUEBRNJAE-UHFFFAOYSA-O 422.552 1.995 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)C1 1347360766 HPCBKZKUOQSEFG-ZDUSSCGKSA-N 403.298 1.531 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CCN(C(=O)OCc2ccccc2)C1 1353197752 GJZHIRIHHZEWEK-INIZCTEOSA-N 424.461 1.715 30 10 HDEE C#CCN(C)c1nnc(Cc2ccncc2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1358950933 CIZPGWVCALQYEJ-SFHVURJKSA-N 406.465 1.817 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1358965007 LYQJWVQVODIRJZ-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(N(C)C)nc1 1358999214 JYXYOSJPLCCVLY-FPOVZHCZSA-N 422.533 1.974 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1359054740 FSDIKLSBDNMTFO-INIZCTEOSA-N 408.535 1.904 30 10 HDEE C=CCN(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCN/C(O)=C1\N=CC=CC1=O 1359236421 KYACORTVMSXZSP-CZIZESTLSA-N 422.445 1.822 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1ccnc1C)C1CC1 1359251114 CRFREBPHQLIIGW-INIZCTEOSA-N 404.540 1.930 30 10 HDEE CC(=O)NCC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)CC1 1359440669 HKZRCKPLNATREV-FQEVSTJZSA-N 424.505 1.585 30 10 HDEE Cc1cc(C)cc(OCCn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1361041581 CTKZEUHLUJDYOZ-QZTJIDSGSA-N 410.478 1.654 30 10 HDEE N#C[C@]12CN(C(=O)C3(c4ccc(Br)cc4)CC3)C[C@H]1CS(=O)(=O)C2 1439798034 RQJPTFNNOFCOEP-XJKSGUPXSA-N 409.305 1.877 30 10 HDEE N#Cc1c(CCCNC(=O)[C@@H]2CC(c3ccccn3)=NO2)nn(-c2ccccc2)c1N 1441138175 QHFQFLRQGFAIQN-FQEVSTJZSA-N 415.457 1.963 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 1450322358 DFHWVUJFVUFKQR-WMLDXEAASA-N 419.503 1.213 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCC[C@]3(O)CCCOC3)C2)C1 1452756015 LUDQJCLSOFQEBW-WKQASXCGSA-N 407.511 1.821 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 1453496602 NAWIPYANXVNUOW-JAGAYZLESA-N 409.442 1.930 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(S(N)(=O)=O)CC1 1454229416 USMHVMFCRHGYMA-CQSZACIVSA-N 404.533 1.020 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1 1455115667 QLVSYSFYNBAIPU-UHFFFAOYSA-N 407.492 1.780 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)CC1 1455924442 HNZNTFNUEMGXSJ-SFHVURJKSA-N 412.490 1.466 30 10 HDEE C#CCOCCN(C)C(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1 1457392332 ZQBIDKBCSKVSJJ-UHFFFAOYSA-N 403.298 1.421 30 10 HDEE COC(=O)c1cc(NC(=O)Cn2cc3c(c(C#N)c2=O)CCCC3)cc(C(=O)OC)c1 1459102003 FMVPUMNTJZNPGP-UHFFFAOYSA-N 423.425 1.811 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)ccc1Br 1463495958 DIELBCOJVRNCIC-HOTGVXAUSA-N 414.325 1.540 30 10 HDEE CC[C@H]1COCCN1CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1471721975 VWFSZHJHCDMCIW-KRWDZBQOSA-N 421.339 1.984 30 10 HDEE C#CCC1(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CCOCC1 1471930626 IIBCZDSKPKSXFH-QGZVFWFLSA-N 406.504 1.446 30 10 HDEE N#CC1(C[C@@H](O)CN2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)CCOCC1 1473838668 WHRBRCWQCNTWKI-GOSISDBHSA-N 407.536 1.585 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCOC[C@@H]3C[C@H]3CCCO3)C2=O)cc1 1478568733 QTFYUGXPYWKKJV-ZCNNSNEGSA-N 412.490 1.639 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C)(C#N)CC3)n2C[C@@]2(C)CN(C)C2=O)n1 1492744675 VRIMMWUKMBMSRW-OAQYLSRUSA-N 410.526 1.748 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1Cc1nc(C)cs1 1499140376 CDBKXRATHQPDTL-UHFFFAOYSA-N 411.539 1.894 30 10 HDEE C#CCCCCn1c(N2CCN(C(=O)CN3CCOCC3)CC2)nnc1C(C)(C)C 1507573872 JVKXDMMYHGRGCD-UHFFFAOYSA-N 416.570 1.360 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCN1CCCS1(=O)=O 1507612570 XJYXSNUCFNQIFW-UHFFFAOYSA-N 419.507 1.067 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccncc1Cl 1507713507 MHRGERHFGOXWFJ-UHFFFAOYSA-N 402.886 1.583 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCNC(=O)c2ccc(C)cc2)CC1 1507743092 ZBIUFQPZHAJAPQ-UHFFFAOYSA-N 422.533 1.545 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cccnn2)CC1 1507750044 GUXWKVGCGXHGSQ-UHFFFAOYSA-N 409.523 1.162 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1507752717 DPSGGRWWNOGFJI-GOSISDBHSA-N 416.595 1.832 30 10 HDEE C#CCSCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1507753048 HXSSZNKUXBATME-NRFANRHFSA-N 424.530 1.797 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCc1ccccc1F 1508089084 VMGMVYJEQJVQFX-INIZCTEOSA-N 400.458 1.349 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC(=O)N[C@@H](C)CC)C1 1508109299 PZGWLXNFGRERJZ-IRXDYDNUSA-N 418.542 1.600 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[C@H]2COCCO2)C1 1508129642 SGHHPXLZBCXYJG-VJANTYMQSA-N 422.526 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1508142670 UPTJLLJJLOVULL-MSOLQXFVSA-N 424.567 1.921 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)on2)CCO1 1508373407 BDINMXNOEJXILP-IBGZPJMESA-N 421.461 1.503 30 10 HDEE CC(C)(C)Cc1nnc(N2CCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1508594781 JYMPBHVNWHULMX-UHFFFAOYSA-N 406.512 1.461 30 10 HDEE COCCOC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1519375043 OPMHKCFERCXSKO-UHFFFAOYSA-N 422.493 1.625 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1521075622 PBKNYDGUPOKGIE-MGPUTAFESA-N 422.424 1.247 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 1523978899 BFPSCKQQWPWYMS-LBPRGKRZSA-N 414.853 1.763 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1534132056 HAHVJFMHGHGHEJ-AWEZNQCLSA-N 424.427 1.904 30 10 HDEE C#C[C@@H]1COCCN1C(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1CC 1535553231 SJJFIOJFRNSIRM-OAHLLOKOSA-N 418.519 1.100 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@](C)(O)CCOC 1539025248 GRUMWEYXOUZTKO-KUHUBIRLSA-N 405.524 1.515 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H](C)SC)[C@H]1CCS(=O)(=O)C1 1539215521 DSKYCELSMARNAN-KGLIPLIRSA-N 406.537 1.113 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cnn(C)c1C 1539400995 OXCCSLIEZWTCQI-HXUWFJFHSA-N 402.499 1.106 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC(C(=O)NC)CC1 1539999338 DHIGAWQTSDGFHX-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@H]2CCCO2)CC1 1540013188 LUNORAKMPNZVJK-GOSISDBHSA-N 402.543 1.668 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1540868241 XNTOOZPZWKGKKW-SFHVURJKSA-N 409.538 1.955 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1540871546 NWZBBIZQHADCRS-KRWDZBQOSA-N 415.542 1.579 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCc2ccccc2CC1 1540902623 NBZCMGBBHYCAOY-LJQANCHMSA-N 416.547 1.988 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1541115577 BLYZTVLCGXMRBL-VXGBXAGGSA-N 413.454 1.416 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)N(C)C 1541840325 IBQQCVNVHRRPPG-QUCCMNQESA-N 423.565 1.925 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C[C@@H](C2CC2)O1 1544754343 DMVIOCZIVJPVAW-KDOFPFPSSA-N 415.519 1.865 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCc1nnc(C)s1 1548176068 UCALXLZZZOWSFG-INIZCTEOSA-N 416.555 1.784 30 10 HDEE CCS(=O)(=O)NCCn1c([C@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1552400288 TYUWDKNMOWJVJY-HNNXBMFYSA-N 410.544 1.241 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1CCN1CCSCC1 1555728655 UUZRLEZNEFMGDQ-IKGGRYGDSA-N 408.572 1.647 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)n1 1556461340 XMBFRNMDUGJXSE-SFHVURJKSA-N 419.526 1.530 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](CS(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1558643567 ZFTUIRMKVSMCPT-AWEZNQCLSA-N 408.329 1.045 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2cc(C)c(C#N)c3nc4ccccc4n23)CC1 1559265920 IMAXDKPYFHMBPB-UHFFFAOYSA-N 408.487 1.257 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C2(C(=O)OC(C)(C)C)CCCCCC2)CC1 1565589976 HPGFHPRPPPYEPA-UHFFFAOYSA-N 419.566 1.952 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cc(Br)nc(Br)c2)CC1 1566317829 KJIDUWRQLYSLDS-UHFFFAOYSA-N 416.073 1.805 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Br)nn2C)s1 1569458847 FYYBXQIOVHYFTP-UHFFFAOYSA-N 419.326 1.890 30 10 HDEE CCOC(=O)CON=C(C(=O)N(Cc1cccs1)C[C@@H]1CCCO1)c1cc[nH]n1 1569993516 DLZIKOUSZVFOJA-AWEZNQCLSA-N 420.491 1.963 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C2(COC)CCC2)CC1 1585675304 NVBSFWIHXAIBSQ-RMMWZPCPSA-N 400.519 1.679 30 10 HDEE C[C@]1(C2CC2)COCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1585964120 BUCIYPTYOKNBJY-OAQYLSRUSA-N 417.531 1.986 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)c1 1586063546 JRYYTXCRYODEDA-OAHLLOKOSA-N 405.545 1.733 30 10 HDEE C#CCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587847266 HDFTUPILZGDLDA-UHFFFAOYSA-N 423.521 1.235 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1588297618 AMALDDDPFCJEKF-UHFFFAOYSA-N 418.519 1.353 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1588309825 FQSNYEZNYBVHLD-INIZCTEOSA-N 405.453 1.551 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)C 1589581237 QRKNDEZFYSANGO-FUHWJXTLSA-N 405.543 1.852 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCOCC1)C1CC1 1595054224 DOYCPDGRXOVFKW-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1595314314 OODVLUQVCKSWEY-KRWDZBQOSA-N 409.494 1.889 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCC2)CC1 1595555829 IEOAISCKLMKSEK-UHFFFAOYSA-N 412.513 1.985 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC2(CCOCC2)C1 1595785027 PTYWOVCMERQJOR-UHFFFAOYSA-N 405.524 1.881 30 10 HDEE CC(C)c1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1C[C@@]1(O)CCN(C)C1 1602908256 HRPLZYBZPHZVAL-SIKLNZKXSA-N 410.522 1.918 30 10 HDEE Cc1c(C#N)c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)nn1C 1611161977 SWCMPDRZDYIQST-MRXNPFEDSA-N 401.492 1.781 30 10 HDEE Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1611166443 ZPSQJRHFQPUINB-MKBNYLNASA-N 417.409 1.730 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n2)CC1 1612811210 WHLNCOUECZYOHT-UHFFFAOYSA-N 419.438 1.386 30 10 HDEE CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1614470418 KLQADZZZDQPFIN-INIZCTEOSA-N 410.544 1.541 30 10 HDEE C[C@@H]1CCc2c(sc(NC(=O)CCN3CCN4CCOC[C@]4(CO)C3)c2C#N)C1 1620619125 VTNOFXFKAKGYEZ-QVKFZJNVSA-N 418.563 1.452 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1ccc2nc(C(C)(C)CO)[nH]c2c1 1622980814 VHZVMLUXWXWMNO-CQSZACIVSA-N 419.489 1.845 30 10 HDEE COC(=O)c1ccc2c(c1)CCN2C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1627045359 BXFXYOVHTBYTFK-ZDUSSCGKSA-N 413.455 1.601 30 10 HDEE C=CCN(C(=O)Nc1nc(CC(=O)NCCC)cs1)[C@H]1CCS(=O)(=O)C1 1627052620 SWGMQBNKJLTTQK-ZDUSSCGKSA-N 400.526 1.419 30 10 HDEE CN1CCN(C(C)(C)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1627123538 HTZQTNUHHGNBTC-MRXNPFEDSA-N 417.941 1.707 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1628796566 GOTNGONRBPUVRC-DLBZAZTESA-N 417.510 1.778 30 10 HDEE COC(=O)CSCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1632942744 ILTYDYCIWWIJLV-BIWSTMPVSA-N 411.524 1.796 30 10 HDEE COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1632997064 BOZZOPJBSMHBMJ-DLBZAZTESA-N 403.284 1.433 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1634215775 JQEBIWHLQFGGDP-UXLLHSPISA-N 416.540 1.508 30 10 HDEE CC(C)(C)OC(=O)NCCCN(Cc1ccccc1)C(=O)NCC(=O)NCC#N 1635083072 RFCMFLFIFIQXIM-UHFFFAOYSA-N 403.483 1.753 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc([N+](=O)[O-])ncc2Br)n1 1638647479 REPNESMIKZKZMB-UHFFFAOYSA-N 422.239 1.871 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CCN(c3ncc[nH]3)CC2)C1 1639827149 IDNXZAONWCGPFN-UHFFFAOYSA-N 415.295 1.829 30 10 HDEE Cc1ccc(NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c(C(N)=O)c1 1639865384 DKSGOJHRHAVBPS-UHFFFAOYSA-N 400.460 1.551 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)C2=O)cc1 1639973571 FLVUWNNCILEPGV-WMZHIEFXSA-N 402.454 1.233 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 1641583135 QAELTTRRHDBWEG-IRXDYDNUSA-N 422.551 1.954 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1641858234 UBFGCYFVDMPLMG-LSDHHAIUSA-N 403.435 1.804 30 10 HDEE C#C[C@@H]1COCCN1C(=O)[C@@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1642430369 LKNQWVGNIVDZFQ-RTBURBONSA-N 401.507 1.872 30 10 HDEE CCOC(=O)Cc1cnc(NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)s1 1642951713 CYSYLYZJFPPEGT-NSHDSACASA-N 422.488 1.426 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CC(CNC(=O)C(F)(F)F)C2)ccc1F 1643321731 YAHOBWPGTPAJBB-UHFFFAOYSA-N 423.388 1.041 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCc2ccc(CC(C)C)cc2)CC1 1644284983 FHERTFRVBLEYSG-UHFFFAOYSA-N 405.564 1.820 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC(Nc2cccc(C#N)c2)C1 1647933158 SPUMLSIOZUTTCA-INIZCTEOSA-N 402.451 1.637 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@H](O)c1cccc(Br)c1 1648643554 CIRSNUMKRRHZEJ-CYBMUJFWSA-N 406.240 1.553 30 10 HDEE C#CCN(CC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CO)C(=O)OC(C)(C)C 1653901747 JQJYGZNMINRONK-HNNXBMFYSA-N 411.499 1.297 30 10 HDEE C[C@H](NC(=O)[C@H](C)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cc2ccccc2o1 1654885486 NPMORYRCCZXSLT-XASIKMQRSA-N 401.488 1.869 30 10 HDEE C#C[C@@H]1CCCCN1CC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1655034520 GKYKYABWICDSNY-JENIJYKNSA-N 419.547 1.911 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@]12NC(=O)N(Cc1ncc(C#N)cn1)C2=O 1656312199 DJNZBSKWYIMNEH-XOBRGWDASA-N 414.466 1.854 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NCC(=O)N2CCN([C@H](C#N)c3cccs3)CC2)C1 1659390643 CUECDXDVWQAECG-ZSYWTGECSA-N 420.579 1.613 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1)C(=O)OC 1663616471 HHWDPRSUPKXAMC-MRXNPFEDSA-N 418.537 1.407 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCN(C(=O)OC(C)(C)C)CC1 1668536108 FOPXUEGRWOKZKU-MOPGFXCFSA-N 420.554 1.894 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1ccc([C@H](C)NC(C)=O)s1 1670200418 KLOROLCULVGCHW-LBPRGKRZSA-N 400.522 1.911 30 10 HDEE C#CCn1cc(CNS(=O)(=O)N=[S@](=O)(c2ccccc2)C(F)(F)F)cn1 1670261910 FKFZQBCHUNQKHR-VWLOTQADSA-N 406.411 1.898 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccccc2Oc2ccccn2)CC1 1673372496 SBYUMILWOCLNKV-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1684616680 OTLDNBJNNUDIMO-QAPCUYQASA-N 422.489 1.155 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OCC=C)cc1 1689826855 VVNCSOWDXVFZHJ-CVEARBPZSA-N 417.535 1.959 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1nc(C)c(C)s1 1690001025 DYAWBJAMRFQWMO-AWEZNQCLSA-N 420.564 1.277 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C)COC 1690005774 BUWBYPXSAXATQO-INIZCTEOSA-N 400.504 1.704 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1690470498 CZFGASDXXSEQTD-CVEARBPZSA-N 420.539 1.907 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(C)C)CC2)n1Cc1ccc(C#N)o1 1692537560 ZMWGGWDEPRPEBL-UHFFFAOYSA-N 413.482 1.234 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC(CC#N)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1695509876 PGEYDKJJBAXGMF-OAQYLSRUSA-N 418.542 1.927 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cnccn3)n2CCSCCCO)CCN1C1CC1 1698493959 QQTYOXWNMHEBNZ-MRXNPFEDSA-N 414.539 1.027 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705516931 LMXWGSUBYKDBOP-MSOLQXFVSA-N 421.567 1.590 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H](C(=O)OC)C1 1705529185 GWXKQFZQAIUEHT-KRWDZBQOSA-N 420.477 1.724 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc2c(c1)OCO2)[C@H]1CCS(=O)(=O)C1 1705560090 IHSCXYWKELNBRY-INIZCTEOSA-N 416.503 1.805 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1705565505 VJQQAYMEZALCLQ-CQSZACIVSA-N 411.478 1.956 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN1CCCC1 1705581151 YBMJOEFINMSOSX-UHFFFAOYSA-N 415.501 1.361 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@]1(N(C)C)CCSC1 1705626389 UUSWPGNJXGLTGB-HXUWFJFHSA-N 400.552 1.863 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CC[C@H]2COCCO2)CC1 1705641202 WORSUIPGKUMKPJ-NRFANRHFSA-N 409.534 1.738 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1705905443 VNUFXSFUMHBLMK-GOSISDBHSA-N 423.565 1.877 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCn2cc(C)cn2)C1 1705915578 FFIMYPOAMZCLJU-GHTZIAJQSA-N 416.526 1.917 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)N2CCN(CC)CC2)C1 1705928661 SOBHAHLSLNHFSI-XUVXKRRUSA-N 418.586 1.937 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@@H]([C@H]2CCOC2)C1 1705938508 APSRERHKZKUJAC-IXDOHACOSA-N 410.540 1.593 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1705938509 APSRERHKZKUJAC-YESZJQIVSA-N 410.540 1.593 30 10 HDEE CN(CC1CC1)c1nnc(-c2cccc(C#N)c2)n1CCOCCS(C)(=O)=O 1711132663 RIGJZGUNOIRQHG-UHFFFAOYSA-N 403.508 1.724 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCOCC2)C1=O 1711272719 UDOGBKRELCYTNJ-OAQYLSRUSA-N 410.478 1.434 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1722295737 LMVFDCZOAGNRCT-GOEBONIOSA-N 418.519 1.704 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccc(C)s1 1722357666 MENCKTTZTBEOTP-CQSZACIVSA-N 409.537 1.547 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCOc1ccccc1)[C@@H]1CCS(=O)(=O)C1 1722372434 WRAFUONAKAZBGT-GOSISDBHSA-N 414.531 1.936 30 10 HDEE C#CCSCCn1c(N2CCN(CC(=O)N[C@@H](C)CC)CC2)nnc1C(C)(C)C 1722464471 GYMQIPXIOVDPEK-KRWDZBQOSA-N 420.627 1.979 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1 1722522573 WZXUXHUVOJJFPD-QRVBRYPASA-N 415.586 1.800 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2conc2COC)CCOC1 1728795481 QGWKJQOFSYVGRO-RBUKOAKNSA-N 420.445 1.555 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCc1cn[nH]c1 1729071840 YNROAJZZNBUMQV-UHFFFAOYSA-N 407.482 1.374 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1740581243 SPFPFGGNXOYKGV-KRWDZBQOSA-N 404.478 1.515 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1740639652 DQRDPWIXZOXGPK-MHORFTMASA-N 404.536 1.457 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1C[C@]1(O)CCS(=O)(=O)C1 1740669303 VAOLWQKQHJXGFY-HXUWFJFHSA-N 413.503 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@@H](C(C)C)N1CCOCC1 1740685499 NSYAOQNDYFPRNS-PMACEKPBSA-N 419.570 1.615 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN(C)CCOC)CC1 1740696751 FIKYWWIMLVXEPR-UHFFFAOYSA-N 414.529 1.341 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1740945275 USROBVBNVCJVCZ-HNNXBMFYSA-N 408.466 1.672 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1740956043 FWTZTNDNTCSXHU-KRWDZBQOSA-N 414.510 1.307 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C2CC2)C(=O)C1 1740956846 RVZJEEVAJJANJE-UHFFFAOYSA-N 415.885 1.107 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CCCNC(=O)OC(C)(C)C 1741135331 UCKIPIUWBYPNRT-OAHLLOKOSA-N 419.530 1.911 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1741725567 SWVIOZKZDVGBKY-MAODMQOUSA-N 419.526 1.599 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)no1 1742128236 IEKQACAYYFQIIU-QGZVFWFLSA-N 412.475 1.785 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1748277065 GZCVPLDWODTBJE-AWEZNQCLSA-N 411.466 1.230 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)C(C)(C)C 1748646756 DHRBVYDYJYTTBU-BEFAXECRSA-N 412.556 1.601 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCOCCCO 1748664795 KCWAOIFHKVTJGW-INIZCTEOSA-N 424.505 1.532 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1c1cnn(C)c1 1748685244 WPFCBRBBTJRFEZ-IAGOWNOFSA-N 410.526 1.261 30 10 HDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@H]2C1 1748706965 WPXNXYIINCVXKE-INIZCTEOSA-N 424.505 1.980 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCCn1cnnn1 1748766662 UIDMUOMQZDPLOM-UHFFFAOYSA-N 413.873 1.008 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2cc(C)ccc12 1748771775 KETCHKIPOOWURJ-OAHLLOKOSA-N 414.535 1.990 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1Cc1occc1C)[C@H]1CCS(=O)(=O)C1 1748818465 ZXDCHNMAXXIDCN-CVEARBPZSA-N 404.492 1.358 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1nc2cc(OC)ccc2n1C 1748840767 JLVLOXYIYMDMPD-UHFFFAOYSA-N 412.457 1.752 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@](C)=O)CC1 1748855639 FTEVKCXDNABMCM-NDEPHWFRSA-N 415.544 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(=C)Cl)CC1 1749003750 UPLBDVXENKYLOP-HXUWFJFHSA-N 421.929 1.649 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749130417 LKCIWQCGYXZHSS-YRXWBPOGSA-N 419.526 1.105 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1749736218 GPCQDLZFTXZJLK-SJLPKXTDSA-N 419.551 1.726 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCN1CCCO 1751089363 GDDFBJSHEUMIKO-IAGOWNOFSA-N 403.531 1.099 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](C)CN2CCOCC2)n1 1751837777 FXEULHVVKMYGPH-SJORKVTESA-N 414.558 1.704 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 1760192925 ZRGBFVHUXGJFMZ-MJGOQNOKSA-N 416.547 1.725 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@H]1NC(=O)CC1(C)C 1760204488 REDYHKSUMRMLDD-LJQANCHMSA-N 405.502 1.865 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC(C)(C)C(=O)NC 1760210725 UMAFUZRKNHNRDQ-UHFFFAOYSA-N 409.490 1.711 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc21 1760219822 PFOJBUVEASFPIL-QZTJIDSGSA-N 424.526 1.819 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCC[C@H](O)C2)CC1 1760268750 XLXGERMXAZPFCE-HKUYNNGSSA-N 424.549 1.801 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2cccc(CO)c2)CC1 1760273379 QYFHGGFPXPRJAF-UHFFFAOYSA-N 411.506 1.321 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)OCCOC)n1C[C@H]1CCS(=O)(=O)C1 1760288723 IXAKDLBTSNYXJM-FRQCXROJSA-N 410.540 1.429 30 10 HDEE C[C@@H]1CCCCN1CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1762866777 VILCYWBXYVNREG-KURKYZTESA-N 415.542 1.613 30 10 HDEE COC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCS(C)(=O)=O)CCO1 1770943487 HEGATALJMCBIRF-QGZVFWFLSA-N 419.507 1.103 30 10 HDEE COc1cc(C(=O)ON2C(=O)c3ccccc3C2=O)cc(Cl)c1OCC(N)=O 1772787811 DFLVKZMSATZROU-UHFFFAOYSA-N 404.762 1.581 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC1([S@@](C)=O)CC1 1772842523 KMBOGWOIMMUVLT-BODITIBLSA-N 404.496 1.513 30 10 HDEE C=CCN(C(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCN(C)C1=O 1849168270 YCGOYPKDTURXNI-HUUCEWRRSA-N 411.549 1.394 30 10 HDEE N#Cc1ccc(CN(C(=O)c2nccc(N3CCOCC3)n2)c2cnccn2)cc1 1852048784 BLUXCNQXTMNWEC-UHFFFAOYSA-N 401.430 1.822 30 10 HDEE CC(=O)c1cc(C#N)c(N(C)C(=O)[C@H]2CCCN(c3cnn(C)c(=O)c3)C2)nc1C 1852514120 TULZGPFYSBFKEL-HNNXBMFYSA-N 408.462 1.437 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 1853117338 LQVCJMUVZYUVTJ-KRWDZBQOSA-N 402.520 1.411 30 10 HDEE CC(C)C(=NOCCN1CCCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853552642 NOHYVZPQROCOQK-UHFFFAOYSA-N 408.524 1.932 30 10 HDEE C[C@H]1CC(=O)N(C(=O)CCC(=O)N2CCN(C)CC2)c2ccccc2N1CCC#N 1853946224 JJWZFDGCMJEACP-KRWDZBQOSA-N 411.506 1.613 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)C(=O)C1 1853947702 ZQNHAIMXDDVUOI-ZWKOTPCHSA-N 409.467 1.721 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2nn(C)c3c2CCC3)C1=O 1854081777 CALWYOMLZPLUCG-ROUUACIJSA-N 413.522 1.149 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2onc3c2CCCC3)C1=O 1854083172 YUZPNBGOURYVFE-QZTJIDSGSA-N 414.506 1.793 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)N2CCN(C)CC2=O)[C@H]1c1ccc(C#N)cc1 1854522116 YGGUWKMUHOCKPZ-RTBURBONSA-N 400.504 1.252 30 10 HDEE CC1(C)CC[C@H](N2CC[C@@H](N3CCN(C(=O)c4ccnc(C#N)c4)C(=O)C3)C2)C1=O 1854982347 XROUGFFOBCZZSG-MSOLQXFVSA-N 409.490 1.070 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)c4ccccc4S3)C(=O)C2)C1 1855028412 XVPJKOMQVVNJHT-KXBFYZLASA-N 412.515 1.392 30 10 HDEE COc1ccc(SCCC(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855098712 VCKUOIBRFOEPPN-QGZVFWFLSA-N 416.547 1.836 30 10 HDEE COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)[C@@H](C)C2=O)cc1 1855718105 LUJSFTYCISSPQI-AWEZNQCLSA-N 413.455 1.629 30 10 HDEE CC(=O)[C@H](C(=O)N(C)C)N1CCN(C(=O)c2cc(CC#N)ccc2Cl)C(=O)[C@H]1C 1855860339 NDANWRJYAQYKGD-SJKOYZFVSA-N 418.881 1.125 30 10 HDEE N#Cc1ccc(C(=O)CN2CC[C@H](N3CCN(C(=O)c4ccsc4)C(=O)C3)C2)cc1 1856097978 APMCINXABXLCCK-IBGZPJMESA-N 422.510 1.861 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@@H](N(C)CC(F)(F)OCC)C2=O)CC1=O 1856238569 LKONTBFPDOUZBC-HUUCEWRRSA-N 401.454 1.490 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4cnccn4)C3)C2=O)ccn1 1856457335 NIKNISMLBLGZQS-CRAIPNDOSA-N 406.446 1.275 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1CC[C@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857066298 JVSCFKPYUKXBML-MSOLQXFVSA-N 401.486 1.977 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@@H](F)C2CCCC2)C1=O 1857150993 LWZMWJVRAHCALL-SJORKVTESA-N 400.458 1.124 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](CN3CCC(N4CCCC4=O)CC3)CC2=O)cc1C#N 1857214917 SCFLSKBZQIKZIJ-QGZVFWFLSA-N 408.502 1.942 30 10 HDEE N#CCC1CCN(C[C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCCC4)C3)C2)CC1 1857223909 SFQOQPNJQGHFOE-ROUUACIJSA-N 400.523 1.778 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@@H](CN3CCC4(CC3)C[C@H]4C#N)CC2=O)CC1 1857224211 ZXOPIJKOJQHUKO-WBVHZDCISA-N 402.495 1.466 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)Cc2ccc(OC)c(C)c2)C1)[C@H]1CCN(C)C1=O 1857283725 IPMBAUVQGNQRTG-OALUTQOASA-N 413.518 1.640 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 1858961722 MKELYEPLGMHVJK-UHFFFAOYSA-N 404.419 1.733 30 10 HDEE CCCCCCCCCCNC(=O)[C@@H](CC(N)=O)NC(=O)c1ccc(=O)n(C)c1 1861226401 VBUPSJYNUGQYKV-QGZVFWFLSA-N 406.527 1.616 30 10 HDEE C=CCNC(=O)[C@@H](CCC)NC(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1 1861496927 USBWLXLUPILOLT-CQSZACIVSA-N 407.467 1.029 30 10 HDEE Cc1ccc(Cn2nnc(C#N)c2NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 1870107123 TYIYNLHQXDIAFW-UHFFFAOYSA-N 400.398 1.741 30 10 HDEE C=CCN(CC=C)c1nc(=NCCc2cnc[nH]2)[nH]c(=Nc2ccc3nc[nH]c3c2)[nH]1 1871625778 XEHNOFOSARJRMQ-UHFFFAOYSA-N 416.493 1.891 30 10 HDEE N#Cc1cc(F)cc(CS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 1882498560 YRSXYLQUVSHYCK-KRWDZBQOSA-N 420.418 1.992 30 10 HDEE Cn1nnc(Br)c1CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1964807262 OQFIQNLTOCCESG-SNVBAGLBSA-N 415.292 1.781 30 10 HDEE C=CCn1ncc(N[C@@H]2COC[C@H]2NC(=O)OC(C)(C)C)c(Br)c1=O 2043988996 CCRIMLCLUKWUOX-VXGBXAGGSA-N 415.288 1.896 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccsc3Cl)s[nH]2)OC1(C)C 2047614994 CGQUEROSVWFOIU-UHFFFAOYSA-N 407.735 1.775 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)C[C@H]1CCCO1 2157014429 SELYTXGLHRHFHK-CYBMUJFWSA-N 401.359 1.954 30 10 HDEE C#CCN(C[C@@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 2169176302 JDVNVYLVTSNXEM-DLBZAZTESA-N 400.541 1.117 30 10 HDEE CC1(C)OB(c2nc(=NS(=O)(=O)c3ccc(Cl)cc3F)s[nH]2)OC1(C)C 2177567928 WAUUCGNFTOMIHP-UHFFFAOYSA-N 419.696 1.853 30 10 HDEE COC[C@H](C)S(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186599269 HHZOXBJVWHCCDP-NWDGAFQWSA-N 404.363 1.800 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NC[C@@H](C(F)F)N1CCN(C(=O)OC(C)(C)C)CC1 2192471652 DJPPQSFFBBVKOJ-STQMWFEESA-N 410.487 1.252 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N2CCCC[C@@H]2C=O)S(=O)(=O)C(C)(C)C1 2197733488 BAGOJLYQSOQSHP-ZIAGYGMSSA-N 402.513 1.379 30 10 HDEE CN([C@H]1CCN(Cc2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1)S(C)(=O)=O 2235415535 YRBDNVNNUJXSIP-ZDUSSCGKSA-N 400.375 1.513 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)Nc1nccc(B2OC(C)(C)C(C)(C)O2)c1F 2243107984 DTRXJPRPDHPNMH-LBPRGKRZSA-N 411.283 1.817 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1CNC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243381107 IIHGTGGOCKOHFJ-HNNXBMFYSA-N 407.320 1.289 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@]23C[C@H]2CN(Cc2ccccc2)C3)n1 2255607579 AUOMZCUYPFVQGS-AOMKIAJQSA-N 423.326 1.119 30 10 HDEE C=C1CC(CN(C)S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258189283 GKEOBZWXYOWYIX-QGZVFWFLSA-N 410.492 1.682 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@]34CNC[C@@H]3C4)cc2Cl)OC1(C)C 2267362164 NUTPNQQIYKGYPN-BJOHPYRUSA-N 404.750 1.341 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2267469519 WXAZHTPNAXGEIP-VXGBXAGGSA-N 404.388 1.029 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282029009 MNSBKLKKYKRUIY-GFCCVEGCSA-N 401.359 1.943 30 10 HDEE C[C@@H](CS(C)(=O)=O)NC(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282407279 WEJPPJZCNBOMLG-NSHDSACASA-N 401.721 1.802 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2C[C@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282503105 UYJJBPBWFSXUSS-JOCQHMNTSA-N 401.359 1.808 30 10 HDEE CCN[C@H](C)CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282836514 LDHHSOFTGONPJA-GFCCVEGCSA-N 402.753 1.916 30 10 HDEE CC1(C)C[C@H](O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856065 NCEQVFQGJOEQHN-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CON(C)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282879766 YOOGRAHBGMLTCS-UHFFFAOYSA-N 404.725 1.411 30 10 HDEE COC[C@@H]1C[C@H]1CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282884452 ODFVBHHAKBWGCE-STQMWFEESA-N 401.359 1.950 30 10 HDEE C=CC[C@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284409418 JAFDQFKAMAUXQH-LBPRGKRZSA-N 401.315 1.496 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC2(CC1)OCCO2 2362336614 GPZKBXRDKLEXKX-CQSZACIVSA-N 405.304 1.525 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2362501630 USQGNINXYHPAEB-JTQLQIEISA-N 402.218 1.248 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC[C@@H](NC(=O)OC(C)(C)C)C1 2365207210 MDCODTUHYAWOGP-SPYBWZPUSA-N 402.557 1.599 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCC[C@@H]1NC(=O)OC(C)(C)C 2365213687 XWDHMNCYMHHRJT-ZRGWGRIASA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367831785 UNXOGFNUQCSNMS-RBSFLKMASA-N 400.541 1.291 30 10 HDEE CN([C@@H]1CNC[C@@H]1F)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2369652182 JMOHSQLTTYTFMF-WDEREUQCSA-N 424.756 1.631 30 10 HDEE CO[C@H](C#C[C@H](O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1)C1CCCC1 2379867640 XGWLHCLYLPBSSJ-CVEARBPZSA-N 401.525 1.590 30 10 HDEE Cc1ccc(S(=O)(=O)/N=C(O)/N=C(\N)Nc2nc(=O)c3ccccc3s2)cc1 13424595 IWJLXWIZCWSAMP-UHFFFAOYSA-N 417.472 1.994 30 10 HDEE COCCn1cc(/C=N/Nc2nc(SCC(=O)NCc3ccco3)n[nH]2)cn1 59886844 LSUGCNJVPAMRAH-CNHKJKLMSA-N 404.456 1.095 30 10 HDEE Cc1n[nH]c(C)c1/C(O)=C1/C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccs1 102754079 BMEDSSZKFPFCGQ-FXBHHXAOSA-N 416.503 1.842 30 10 HDEE CC(C)NS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 105284786 UNWRBTBZAWGBDU-UHFFFAOYSA-N 413.503 1.602 30 10 HDEE C=C(C)COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CC[C@H](O)CC3)C2=O)cc1 242453295 BOTUFAICJFRCTA-HOIFWPIMSA-N 415.490 1.828 30 10 HDEE COCCn1c(=NC(=O)c2cccnc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21 254353913 XZBNMDSAKGVPDO-UHFFFAOYSA-N 414.425 1.612 30 10 HDEE N#Cc1ccc(C(=O)N2CCCN(C(=O)c3cccnc3)CCC(=O)NCC2)cc1 257186539 ZGNGMOGIDSWVKJ-UHFFFAOYSA-N 405.458 1.448 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c(F)cc2F)CC1 429731721 SPPGPUFHGDXMEL-UHFFFAOYSA-N 402.239 1.787 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@]3(C2)NC(=O)NC3=O)n(-c2ccccc2)c1C 434793727 ISWMZYHJLGMBRY-QFIPXVFZSA-N 420.473 1.578 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCCOc2ccc(C#N)cc2)c1 461187427 ASAIEEWCSCVXEU-UHFFFAOYSA-N 417.487 1.600 30 10 HDEE CCN(CC)C(=O)[C@H]1CCCN1C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 482185056 XHZQNSIPQKOVGD-RHSMWYFYSA-N 406.508 1.084 30 10 HDEE N#CC1(NC(=O)COCC(=O)NCc2cccnc2)CCN(Cc2ccccc2)CC1 482644292 YCQNXDLUDPJXDC-UHFFFAOYSA-N 421.501 1.389 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)N(CCCOC)[C@H]1CCS(=O)(=O)C1 504379270 YVJVDCGUAIMEOH-KRWDZBQOSA-N 408.520 1.796 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC[C@@H](S(=O)(=O)N(C)C)C1 511141384 WGVWEUBNENXTLK-CHWSQXEVSA-N 410.565 1.791 30 10 HDEE C=CCn1c(SCC(=O)N=c2nc(C)[nH]o2)nc2sc3c(c2c1=O)CCC3 513261184 MBUFCUMGVGCIIQ-UHFFFAOYSA-N 403.489 1.977 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(CCS(=O)(=O)c2cccc(C#N)c2)CC1 513787138 UKGHIEQQVSCYMS-QGZVFWFLSA-N 418.563 1.397 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1 530566024 NVJSBJIHWQEHGD-UHFFFAOYSA-N 405.506 1.209 30 10 HDEE N#C[C@@H]1CSCCN1C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 538228371 UBZBJPCICQERLA-LLVKDONJSA-N 408.277 1.903 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CCc2cc(Cl)c3c(c2)OCCCO3)c1=O 538296240 JYNGHQDVPHSTFS-UHFFFAOYSA-N 419.865 1.601 30 10 HDEE CC(C)(C)n1cnc(NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)n1 543215514 SQFJCPNHZZRSHA-HNNXBMFYSA-N 409.450 1.155 30 10 HDEE C[C@H](C(=O)N1CCN(c2cccc(C#N)n2)CC1)N1CCN(c2ccc(F)cc2)CC1 546904342 VTNGKAMKZWZTLB-GOSISDBHSA-N 422.508 1.952 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCCO1 549250033 PAFDBBPDXYVWOJ-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C[C@H](C(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl)n1cnc(C#N)n1 552296153 MEYNIECTHVKVKK-SECBINFHSA-N 417.278 1.112 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3ncccc3Cl)C2)c1 556457493 WHKGCHQKWFHHAO-AWEZNQCLSA-N 419.894 1.280 30 10 HDEE Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 583056551 MLBRMVPPFFKAPX-CYBMUJFWSA-N 403.508 1.974 30 10 HDEE Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585227060 LECWVFWYWIPFJM-UHFFFAOYSA-N 423.433 1.536 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(C#N)cc2F)cc1 601000512 HWHHYRJKGBXAGM-LBPRGKRZSA-N 403.435 1.883 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CN2CCN(C3CC3)CC2)CC1 604473466 AMSIQHLWJBRXQW-UHFFFAOYSA-N 410.478 1.235 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2nccn2CC(F)(F)F)cc1 609037625 OBHQVGDDMKOVMU-UHFFFAOYSA-N 400.382 1.548 30 10 HDEE C#CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1 731639985 XHYZNXKVSUXCJE-UHOSZYNNSA-N 418.515 1.747 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccccc2I)CCN1C1CC1 732708876 WIASZRHWOMBEFQ-LBPRGKRZSA-N 424.242 1.428 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1C1CC1 746665107 MAXOOSPLAHWKKE-LBPRGKRZSA-N 404.370 1.974 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CC[C@@H](OCCCc2ccccc2)C1 752961818 CKMNICSXAPPOHK-HMDOMZECSA-N 412.490 1.946 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)N(C)C)oc1C)c1ccc(C#N)cc1 753511629 FTBZWGXVSZGETF-INIZCTEOSA-N 406.416 1.781 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)C(=O)Nc1cccc(CCC(F)(F)F)c1 754190042 FWGXACSCMLGSIP-NXVVXOECSA-N 424.379 1.763 30 10 HDEE C[C@H](CN(Cc1ccccc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)O 766898983 KNHWAZAGPZQGCK-CQSZACIVSA-N 415.471 1.475 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@@H](CO)Cc1cc(F)c(F)c(F)c1 768334646 BIHPKQYTVDDBRV-OUIWWDRTSA-N 411.380 1.288 30 10 HDEE C[C@H](NC(=O)[C@@H](C)OC(=O)c1cccc(F)c1C#N)c1ccc(S(N)(=O)=O)cc1 778368674 AYPXZRIXUFFZJN-NWDGAFQWSA-N 419.434 1.767 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)NCCN/C(O)=C1/N=CC=CC1=O 779570282 NWXQOVWDNFFMIF-SZGQWAQFSA-N 421.498 1.458 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 783010438 FAKGNLGUQHWKTR-OAHLLOKOSA-N 411.524 1.430 30 10 HDEE CC(=O)N1c2ccccc2C[C@H]1C(=O)[C@H](C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 787055706 BSLRQUUOKXVEKD-HKUYNNGSSA-N 406.398 1.898 30 10 HDEE CS(=O)(=O)c1cc(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)ccc1F 793208834 JLFKQIAZXIENOC-UHFFFAOYSA-N 402.469 1.763 30 10 HDEE CS(=O)(=O)N1CC[C@@H](COC(=O)c2cnn(CCC#N)c2-c2ccccc2)C1 801320810 ZLHHGBKWJZZNMB-OAHLLOKOSA-N 402.476 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCC(=CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC1 815556429 VCKXQWQJIPPGHM-ZCXUNETKSA-N 404.467 1.586 30 10 HDEE Cc1ccc(O[C@H]2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3ccc(C#N)cc3)C2)nc1 858059261 LMYXWSXENMTADY-WBVHZDCISA-N 414.487 1.608 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 915143009 NJUZUQKQMMJEDF-UHFFFAOYSA-N 419.425 1.040 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)c1 918329016 LJYWPCRCVFNJLE-AWEZNQCLSA-N 417.462 1.571 30 10 HDEE CN1CCN([C@@H](C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c2ccccc2)CC1 1124650147 FZMUJRCIFHWHJT-GOSISDBHSA-N 409.494 1.045 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCC3(CC2)CC(=O)C=CO3)cc1 1134302112 SBZFXFWPSBGNDP-UHFFFAOYSA-N 403.460 1.356 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(CN2CCN(C)CC2)C1 1141387323 KJUAFWABWQZIFS-MRXNPFEDSA-N 400.951 1.728 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)C1 1142763129 ZDOGLDYCYLJNSK-HNNXBMFYSA-N 417.263 1.163 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CSc2nc3ccccc3s2)CC1 1152968099 YTVGYVBEHNCUCD-UHFFFAOYSA-N 410.546 1.000 30 10 HDEE CC[C@@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cc(F)cc(Br)c1 1154565561 FXOTYPDAFFAWRL-CYBMUJFWSA-N 409.215 1.990 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1160519985 QRYBWMOIYQHNDH-GJZGRUSLSA-N 407.341 1.942 30 10 HDEE O=C([C@H]1CCN(Cc2ccccc2)C1=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1161801684 APYCPWJCRGGNII-IBGZPJMESA-N 421.453 1.939 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCC[C@H](NC2CC2)C(F)(F)F)cc1 1161890903 RBHJORHTFKBFIA-AWEZNQCLSA-N 404.414 1.026 30 10 HDEE CC(C)(C)OC(=O)N1CC2CC1(CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1167513736 IIPZUFRQNHIPAI-WUKNDPDISA-N 404.467 1.419 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCO)CC1 1168774552 KZQYFSWOIDMEFI-AWEZNQCLSA-N 403.907 1.369 30 10 HDEE Cc1cc2nc(NC(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)cc(N(C)C)n2n1 1184023261 OIQQQSSWQBAXPJ-HNNXBMFYSA-N 403.446 1.967 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN(C)Cc1nnc2n1CCNC2=O 1197710087 DRNJUDIEHGGNKQ-CYBMUJFWSA-N 413.507 1.486 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)C[C@H]2CCC[C@H](C(F)(F)F)O2)n1 1211731931 XDYDFKCWFILZCQ-HZPDHXFCSA-N 423.457 1.795 30 10 HDEE C#CCN1CCC(NC(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)CC1 1222495026 ARZRZLFXIAJVGG-UHFFFAOYSA-N 406.552 1.411 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 1224928331 LHGNSUXSUXDYKH-UHFFFAOYSA-N 406.552 1.616 30 10 HDEE CC(C)(C)OC(=O)COCCOCCNC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 1254489378 RTLITXGYEUSAEI-SFHVURJKSA-N 403.479 1.700 30 10 HDEE O=C(NCC#CCO)N1CC[C@@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 1254503034 LTRYFCAFWKSUND-GJZGRUSLSA-N 401.360 1.367 30 10 HDEE COCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC1(C#N)CCOCC1 1256341565 OKIQJMABEGJVQY-MRXNPFEDSA-N 410.515 1.974 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)Cc2ccccc2C1 1286444261 UMZLTJTXAVIOIS-IBGZPJMESA-N 406.534 1.788 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(F)cc3)n2CC[S@](=O)CC)CC1 1286484345 MJDZYUJCOJELQO-GDLZYMKVSA-N 419.526 1.520 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)N(C)C)CC1 1286546042 FNSBTIDQHPPDSQ-BJLQDIEVSA-N 418.586 1.983 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCN1CCCO 1286564525 VYXGXBJKNMOMSW-SFHVURJKSA-N 404.559 1.763 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1286610901 DBKLGRLFICTUHF-AEFFLSMTSA-N 403.527 1.997 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1286694932 KMLWNKGJCRAYGC-GDBMZVCRSA-N 423.543 1.166 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)C1 1286803415 HGYVEEKQFKCGIL-IIMDRIAPSA-N 422.526 1.251 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCCC2=O)C1 1286809777 LCYQQOVNUKZZJO-ROUUACIJSA-N 403.527 1.966 30 10 HDEE COC(=O)[C@H](O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1295338196 SIHGRTIZVVIMCW-GOSISDBHSA-N 408.495 1.409 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCOC(C)(C)C)CCO1 1299137979 SNIHZRCFTVQPMO-KRWDZBQOSA-N 412.494 1.583 30 10 HDEE CC(C)(C)OC(=O)N1CCC(O)(C2(C(=O)N3CC[C@](O)(CC#N)C3)CCC2)CC1 1299890154 QEVIXLIZBUFRIV-LJQANCHMSA-N 407.511 1.796 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1300431589 IPEKJDBXNQBVLH-FQEVSTJZSA-N 402.499 1.352 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@]1(O)CCN(C)C1 1300587596 REDZRUYEVDMBDD-DEOSSOPVSA-N 416.529 1.880 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2CCS(=O)(=O)NC(C)C)CC1 1301129596 XHTFEIGSSLZGEO-UHFFFAOYSA-N 418.567 1.994 30 10 HDEE C=CCN(C)c1nnc(-c2ccccc2OC)n1CC1(O)CCS(=O)(=O)CC1 1301286543 OWVNHOBDDBEWBI-UHFFFAOYSA-N 406.508 1.516 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCn1cnnn1 1301380112 ZJMKQYJWILGMLF-UHFFFAOYSA-N 408.466 1.972 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@]2(CCSC2)C1 1301482376 WBUDDMDLEPCJLL-HNAYVOBHSA-N 409.556 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N(C)Cc1nccs1 1301497203 RQTGJECNAZDPGH-UHFFFAOYSA-N 415.479 1.401 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1301951494 AEJNGRCLTKAXIN-QINHECLXSA-N 404.515 1.740 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@H]1CCS(=O)(=O)C1 1301957385 WCPHPJYUMSYQSK-ZIAGYGMSSA-N 418.479 1.884 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-n3cccc3)sc3c2CCC3)CC1 1302925103 WPDUYMHELOYPAP-UHFFFAOYSA-N 418.544 1.253 30 10 HDEE CCn1cnc2c1CCN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)C2 1304002058 LHDKOPAZOQXDQH-UHFFFAOYSA-N 401.492 1.307 30 10 HDEE C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1CCS(=O)(=O)c1cccc(C#N)c1 1307881396 GCKZSTJNMXTCTG-WFASDCNBSA-N 403.426 1.863 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCN(c3cccc4nc(O)[nH]c34)CC2)cc1 1308096533 OMCSUPGTOGWUJA-UHFFFAOYSA-N 411.487 1.736 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2c(Cl)ccc3ccccc23)CC1 1309597621 IMKSDDXORYBMQE-UHFFFAOYSA-N 405.907 1.549 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCCN2CCCC2)CCO1 1316535261 HQHHTDFLCQYZHL-MRXNPFEDSA-N 410.482 1.140 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1358955010 CBNVWRPTUUOERN-HUUCEWRRSA-N 407.540 1.089 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1358983454 IXDIFWUGCGZEAJ-QZTJIDSGSA-N 420.521 1.703 30 10 HDEE C#CCN(CC#CC)c1nnc(C2CCCC2)n1C[C@H]1CCCN1S(C)(=O)=O 1358993857 YIRGVRKFEYXSSD-GOSISDBHSA-N 403.552 1.823 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCCCN1CCC 1359000010 JNDCGHAHMYGHBF-SJORKVTESA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCC(=O)NC(C)C 1359007561 NHOIIXAOFCJXMA-UHFFFAOYSA-N 421.505 1.566 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC(Cn2ccnn2)CC1 1359296746 SPNXLRBJIZIYDE-UHFFFAOYSA-N 406.494 1.755 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1359303686 XHLBBJZZTNNALT-MSOLQXFVSA-N 402.543 1.080 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(OC)CCOC2)C1 1359313886 SSKYEHQCNKMOKD-DUXKGJEZSA-N 422.526 1.517 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCCCCC1 1359327362 ZAKMWBUDKAOFNC-UHFFFAOYSA-N 418.523 1.907 30 10 HDEE C#CCN(C(=O)c1ccc(O[C@@H](C)C(F)(F)F)nc1C)[C@H]1CCS(=O)(=O)C1 1360054260 GXOBERADUGZQNL-STQMWFEESA-N 404.410 1.982 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)NCc3ccnc(C#N)c3)cc2)C[C@H](C)O1 1448862066 FDSJJUCNBRIRAX-GJZGRUSLSA-N 414.487 1.681 30 10 HDEE C[C@@H](c1ccccc1)[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C(N)=O 1450420567 JJCCNRFEHUPHGW-YVEFUNNKSA-N 403.435 1.510 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1452242822 LZAURQJNIYJDHX-KGLIPLIRSA-N 422.482 1.520 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CC[C@@H](N(C)c2cccc(C#N)c2)C1 1452502783 WJXCUFKLNUDNDF-QZTJIDSGSA-N 424.592 1.656 30 10 HDEE CS(=O)(=O)N1CCC(NC(=O)COc2ccc(Br)cc2C#N)CC1 1458991744 AGQACRBKIDMRSO-UHFFFAOYSA-N 416.297 1.240 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[C@@]3(CC(=O)c4ccccc4O3)C2)CC1 1460227427 HPBIDSZXBSGDIU-AUSIDOKSSA-N 410.518 1.789 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCc4cc(Cl)nnc4C3)CC2)o1 1460299423 HJDOHFVAOJDLQI-UHFFFAOYSA-N 401.858 1.005 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C1CCOCC1 1461710884 KHGKNIRTTAMHNS-MOPGFXCFSA-N 414.502 1.639 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)cn1 1464043819 VXNRWXYLJJTYHI-UHFFFAOYSA-N 401.897 1.193 30 10 HDEE C#CCOCCNC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1469535337 YJRDMTIDJVCHRF-INIZCTEOSA-N 410.515 1.231 30 10 HDEE CCOc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H](CC#N)C2)cc1OCC 1470048967 DAYZKRWGBYKGKP-HNNXBMFYSA-N 409.508 1.915 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCc1cncc(C#N)c1 1471967546 MREPDRIDAINGRI-MRXNPFEDSA-N 401.467 1.475 30 10 HDEE CNCCCc1n[nH]c(NC(=O)c2ccc(I)cn2)c1C#N 1472482921 WTUMRORTBDDTQP-UHFFFAOYSA-N 410.219 1.685 30 10 HDEE N#Cc1ccncc1N1CCN(c2nc(N)nc(C(F)(F)C(F)(F)F)n2)CC1 1472793297 BHCXIUCEPJUNFE-UHFFFAOYSA-N 400.315 1.701 30 10 HDEE C[C@H]1[C@H](CO)CCCN1CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1473541617 GATGVLCSVWDJSE-HOTGVXAUSA-N 413.478 1.548 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1507593385 ZTLHPDCVNLIUQE-QZTJIDSGSA-N 414.554 1.375 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1508018892 BOGJKHMNGNMCFG-FQEVSTJZSA-N 420.510 1.736 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](Cc2ccccc2)C1 1508071717 LNLWTJOFTWCQLL-IBGZPJMESA-N 422.533 1.885 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@]2(CCOC2)C1 1508164189 ZPHNVJPSQVVEKM-MAUKXSAKSA-N 412.581 1.716 30 10 HDEE CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)CCO1 1508378604 JAMKCQGPXBGWFR-LJQANCHMSA-N 421.461 1.118 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2CCOCCCO)CCOC1 1509805043 QEFDWHTXIQJCIR-NRFANRHFSA-N 421.542 1.848 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCCCCO 1510202224 XQAJFIYHDVTZSB-QAPCUYQASA-N 412.560 1.571 30 10 HDEE Cc1nc(CCn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@](F)(C#N)C2)sc1C 1510419994 GRYLALLVCLOIMV-FZKQIMNGSA-N 403.487 1.987 30 10 HDEE COCC[C@@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1518971642 FLYMJEYFLGPORA-SIKLNZKXSA-N 413.522 1.970 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@@H]1O 1520621288 FKJPLLUZUNGYKY-KUHUBIRLSA-N 417.473 1.566 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(CN2CCC(C(N)=O)CC2)cc1 1536257119 JMXJDUQWWQDVFB-HXUWFJFHSA-N 400.523 1.471 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)C[C@@H]3NC(=O)c4ccccc4NC3=O)CCO2)cc1 1536663132 IDOHMEAJJSLXKT-OALUTQOASA-N 404.426 1.599 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC[C@H](C(F)F)N1CCOCC1 1538963381 RIOROIJPWLTAPD-LSDHHAIUSA-N 412.485 1.230 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(NC(N)=O)cc1 1538978009 ZKHSVLYGMAWEJB-YCRPNKLZSA-N 412.494 1.927 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1539222546 WHTIJJSGXQHWQE-MAUKXSAKSA-N 405.568 1.655 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(F)ccc2Br)n1Cc1nnn(C)n1 1539350515 OJCHNQGOQXDZDA-UHFFFAOYSA-N 419.262 1.878 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1C(=O)Nc1ccc(C)c(C)c1 1540876452 RKTISPDNHLVDRY-UHFFFAOYSA-N 408.466 1.927 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cnn(C)c2C)C1 1540892996 VESIDCFIYDYGAP-DOTOQJQBSA-N 420.539 1.052 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1C[C@H](C)O[C@@H](COC)C1 1540897634 OERZFAPFHWLXLK-OWCLPIDISA-N 400.545 1.633 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1540898042 YNEQSUPCYWFDIM-RDJZCZTQSA-N 406.556 1.569 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1540903491 FIUZPKLWFHMHQN-JKSUJKDBSA-N 409.556 1.325 30 10 HDEE CC(C)c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1541361330 DARURTVDQJJVJJ-HTXNQAPBSA-N 415.542 1.848 30 10 HDEE C[C@@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1541871203 ABZMRVYOKJXBQR-QFBILLFUSA-N 407.522 1.860 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1541991164 UZCRGBDTLKFXKF-AVYPCKFXSA-N 415.498 1.290 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1545310312 QEOHPXUUCVBPSR-ZIAGYGMSSA-N 407.471 1.068 30 10 HDEE COC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)CC1 1554527565 HBUWBXDHUPZXRQ-UHFFFAOYSA-N 406.450 1.383 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CC(=O)N(C)C 1555555568 DSCBPINJEQSGEN-UHFFFAOYSA-N 422.493 1.790 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCn2cccn2)n1Cc1ccc(C#N)o1 1555735459 UDUXBDCYCHYZIS-YJBOKZPZSA-N 411.466 1.848 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(N2CCOCC2)n1 1556301832 WLUXXDWVMFYEPB-QGZVFWFLSA-N 402.495 1.841 30 10 HDEE CCOC(=O)[C@@H](CC1(OC)CCC1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1557361446 XHBIBONSOZLPKG-FUHWJXTLSA-N 413.474 1.918 30 10 HDEE N#Cc1cccc(NC2CN(C(=O)[C@@H]3CCCN3C(=O)c3ccc([N+](=O)[O-])o3)C2)c1 1557718505 DCVGHMPGBKLIMA-INIZCTEOSA-N 409.402 1.987 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2cccc(Br)c2)CC1 1558075220 PYTVNMDPIDSNIA-CYBMUJFWSA-N 414.325 1.164 30 10 HDEE Cc1cc(CO)cc(C)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1558433346 UQHFFNUHHAJNRE-OAHLLOKOSA-N 401.488 1.651 30 10 HDEE Cc1nc(S(=O)(=O)NCCC(=O)N(O)Cc2cccc3ccccc23)cn1C 1559036651 RUDODJTVUAQGKS-UHFFFAOYSA-N 402.476 1.968 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)c(C#N)c1=O 1559200731 XBGSWSOGFJRNPP-QFBILLFUSA-N 422.416 1.948 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCO[C@@H](CN2C(=O)c3ccccc3C2=O)C1 1559661200 PCGCTESHZFBMSJ-ZWKOTPCHSA-N 421.453 1.295 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N(c1c(O)nc(=O)n(CCCC)c1N)C1CCCC1 1559851737 SJUNUUKJDBCOJX-OAQYLSRUSA-N 403.527 1.998 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1cc(C#N)ccc1Br 1560058315 PCTCEVORPIFYPF-CYBMUJFWSA-N 401.282 1.483 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCCN(C)C2=O)cc1 1562197240 GYNABABOIOZQPI-KRWDZBQOSA-N 408.524 1.968 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3c(F)cccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1564688846 HQIHHQBPIHTEEK-QFYYESIMSA-N 403.382 1.507 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 1565769014 NQGLPIISTHSWLH-UHFFFAOYSA-N 400.419 1.311 30 10 HDEE N#CCOc1cccc(OC(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)c1 1584858785 UTDSWLAVPBNMCK-UHFFFAOYSA-N 401.444 1.990 30 10 HDEE CO[C@@H](C(=O)NCCN/C(O)=C1\N=CC=CC1=O)c1ccccc1Br 1585296262 KBIZPNPLCMHQEL-DPEHCCBOSA-N 408.252 1.779 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nncn1CC)[C@H]1CCS(=O)(=O)C1 1588029038 CNAZPXSPOMTXAH-GJZGRUSLSA-N 405.528 1.078 30 10 HDEE C#CCN(c1nnc(C)n1C[C@](C)(O)c1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1588035146 PKWVIQWFOKOIOF-HKUYNNGSSA-N 406.483 1.260 30 10 HDEE C#CCN(c1nnc(COCC)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 1588074783 RREFPSVWJQSOKY-INIZCTEOSA-N 411.572 1.029 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CCCN(C(C)=O)C1 1588262462 FCTHQTBVTYPHKL-QGZVFWFLSA-N 402.543 1.915 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@]1(C)CN(C)C1=O 1588595670 YCECKQUUWFJJOD-FQEVSTJZSA-N 412.450 1.418 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1CC1(C(N)=O)CCOCC1 1588604627 NIOFMGSQYZPPPE-UHFFFAOYSA-N 401.467 1.215 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2CCCN2CCN(c3ccncc3)CC2)CC1 1588837597 ZLEBVVGXJQAGRD-UHFFFAOYSA-N 422.581 1.203 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1595878173 JTNAGKHUXXEJOP-HNNXBMFYSA-N 409.556 1.562 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)co1 1596573304 GCVOMIBBOGZPSA-UHFFFAOYSA-N 404.448 1.606 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1ccc(S(=O)(=O)CCOC)cc1)C(=O)OCC 1596778815 XDTQQPMPIGHPGD-OAHLLOKOSA-N 403.884 1.911 30 10 HDEE C[C@@]1(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](CC(N)=O)C2)COCCO1 1611801608 KFCHORPHLITEIS-VGOFRKELSA-N 424.505 1.714 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@](C)(O)C1CC1 1614079732 HCUKSLQMIWSZMA-PGRDOPGGSA-N 424.505 1.605 30 10 HDEE COCC(=O)Nc1ccc(OC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1616896186 BVRZRFMWARFIQF-UHFFFAOYSA-N 406.391 1.927 30 10 HDEE C#CCn1ccc(CN(CC)C[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)C(=O)O2)n1 1617667851 IIPHCBMOXIERLY-QGZVFWFLSA-N 402.495 1.891 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)s1 1618386315 DPRYUYCRHPRBBT-UHFFFAOYSA-N 415.518 1.041 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC[C@H]1CCOC1 1618449603 POZYXUPZUBABGI-SJORKVTESA-N 400.483 1.456 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)cc1 1624773948 IGQKNWIDJYKAST-UHFFFAOYSA-N 409.471 1.954 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC(N2CCNC2=O)CC1 1625230044 IPRAHOPCQAWPNK-INIZCTEOSA-N 407.515 1.980 30 10 HDEE C[C@@]1(CCCC(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)NC(=O)NC1=O 1627616261 ODJAWIVLKOUPOG-NRFANRHFSA-N 411.462 1.504 30 10 HDEE Cc1cc([C@H]2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)c(O)cc1Cl 1630194195 KRJKEBNLIWRJAN-LBPRGKRZSA-N 402.838 1.894 30 10 HDEE CS(=O)(=O)Cc1nc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)co1 1631705005 YMPKNLWUEIWJFM-UHFFFAOYSA-N 402.476 1.485 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1631740790 MQKFMWBUJKCUJG-DOMZBBRYSA-N 414.325 1.697 30 10 HDEE C=CC[C@H](NC(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@H]2C1=O)C(=O)OCC 1632656309 OXIUZVAVPUZRBK-FZKCQIBNSA-N 410.536 1.907 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cn[nH]c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818742 UUOOPBBPAIHCPV-HNNXBMFYSA-N 415.494 1.624 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@]2(C)CC(c3cccc(Cl)c3F)=NO2)CC1 1635993657 QCOUCOOKWNTUGC-FQEVSTJZSA-N 420.872 1.256 30 10 HDEE C#CCN(C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1638331526 XJTCPVSXSLBCRJ-HUUCEWRRSA-N 400.541 1.917 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CCC(=O)OC(C)(C)C)C2)C1=O 1642969642 YMNSFJIZTMOVMP-AWEZNQCLSA-N 407.467 1.324 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(C#N)s2)C1 1643089678 LJDXNTWXDODRDW-CYBMUJFWSA-N 407.521 1.677 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](Oc2cccc(Cl)c2)C(C)C)CC1 1643372293 FFMGGFKWNVCJQT-QGZVFWFLSA-N 413.927 1.355 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@H](n2cc(C#N)c(=O)c3cc([N+](=O)[O-])ccc32)C1=O 1643694641 UQEMTNATVQFCHJ-INIZCTEOSA-N 412.402 1.896 30 10 HDEE COCCOCCc1ncc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)[nH]1 1644167750 MSGJQKLJTUBPAB-UHFFFAOYSA-N 411.506 1.881 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CNc1ccc(S(N)(=O)=O)cc1F 1645040080 NABJHNHJFYWVAC-UHFFFAOYSA-N 404.467 1.894 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(C(F)(F)F)n(C)n1 1647759212 OLFCYMMGWFKHEQ-SNVBAGLBSA-N 415.397 1.294 30 10 HDEE Cc1ccc(C(=O)NCCc2cn(C)c3ncccc23)cc1S(=O)(=O)NCC#N 1648983281 JMSNUDPTQXJRQF-UHFFFAOYSA-N 411.487 1.656 30 10 HDEE CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)c1[nH]c(=O)n(C)c(=O)c1C#N 1651009820 ATVFPEIFPHTJFX-UHFFFAOYSA-N 410.261 1.395 30 10 HDEE C#CCN(C(=O)CCCNS(=O)(=O)c1ccc(C)c(C)c1)C1CCN(C)CC1 1652511606 CEUSVCUAHMUUAM-UHFFFAOYSA-N 405.564 1.918 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2ccccc2S[C@H](C)CC#N)C[C@@H]1C(=O)OC 1660611780 JPHVZRXVEYJPGY-KFWWJZLASA-N 419.503 1.913 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 1667637693 HRNARNVWXHCCFK-IBGZPJMESA-N 400.523 1.943 30 10 HDEE COC(=O)c1cnc(CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)s1 1676097800 XAIQNLVITAPTRO-CYBMUJFWSA-N 400.464 1.982 30 10 HDEE Cn1ncc(Br)c1CNC(=O)N1CCN(c2ncccc2C#N)CC1 1683349811 GKBSAZGHCLZZEX-UHFFFAOYSA-N 404.272 1.481 30 10 HDEE CCOC(=O)[C@]1(C)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCO1 1686084117 HVTRHHICDKLKPC-UTKZUKDTSA-N 414.462 1.417 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1689875523 UUFANVVCWYMSMR-SJORKVTESA-N 423.583 1.823 30 10 HDEE C#CCCCCn1c(C2CCC2)nnc1N1CCN(C(=O)N2CCOCC2)CC1 1689888779 QMRPTYVCHYPOLW-UHFFFAOYSA-N 400.527 1.923 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCNC(=O)c1cc[nH]n1 1689946368 PXPJIPBTYXJFMM-CQSZACIVSA-N 411.441 1.780 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689986910 ZLOTWCULFRTDQG-HNAYVOBHSA-N 405.524 1.071 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1689992331 JKHXXMIBTXWLKK-SFHVURJKSA-N 417.535 1.317 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(C)COCCO1 1690056018 BUHPZRLBDREGBX-WFXMLNOXSA-N 402.495 1.271 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCS(C)(=O)=O)CC1 1690129471 YIVSCTVQKSFWJA-UHFFFAOYSA-N 415.563 1.367 30 10 HDEE C=C(C)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690299465 SCLNLNHJHUZTBZ-UFYCRDLUSA-N 418.586 1.794 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1690489972 KHVDFJWOKRIDTD-UHFFFAOYSA-N 417.558 1.997 30 10 HDEE C=CCN(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1C[C@@]1(O)CCN(C)C1 1690523722 MQJJWJJCLVSXPJ-JOCHJYFZSA-N 423.521 1.364 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1690744974 VLIYAZXKHMAHQQ-RBSFLKMASA-N 402.586 1.959 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1691005759 DQCWUUYZMBSGOU-WBVHZDCISA-N 402.524 1.685 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](C)CN1CCOCC1 1692741553 HBATXAHYISXOJW-UTKZUKDTSA-N 417.558 1.515 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2CCCN(C(C)=O)C2)CCOC1 1696030611 GVDPRAYJMMIIHN-PLMTUMEDSA-N 418.542 1.927 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)NCc2ccco2)CC1=O 1696880186 GPXNQSIWPFUWGK-UHFFFAOYSA-N 419.445 1.005 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2CCC(=O)N2CCOCC2)C1 1698483412 BRAVOOUVAJTBKG-BEFAXECRSA-N 406.462 1.211 30 10 HDEE C#CCCCn1c(-c2ccccc2OC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1705529545 JFQDBCZWHPFLFD-INIZCTEOSA-N 417.535 1.837 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(N)=O)cc2)CC1 1705639807 WYSXYTBYAHXYHM-GOSISDBHSA-N 423.521 1.466 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](C)N1CCN(CC)CC1)C1CC1 1705852682 ARDQVXNRTYSHPC-AEFFLSMTSA-N 401.559 1.410 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@](C)(C#N)C1 1706932549 LWVBOFPOFSTHMF-VFNWGFHPSA-N 413.526 1.559 30 10 HDEE CCS(=O)(=O)NCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(C)(C#N)CC1 1710894210 GXFGHAHQPCLSNU-MRXNPFEDSA-N 424.571 1.632 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C)(C#N)CC2)n1CCCNS(C)(=O)=O 1711264172 ZLJJQJXRABFSSS-UHFFFAOYSA-N 405.528 1.353 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](F)COC)C1 1711316954 UTHWDHMJUJDBIB-OXQOHEQNSA-N 400.458 1.764 30 10 HDEE CO[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)CCOC1 1711619646 DUYDBCROEOGBHI-RTBURBONSA-N 415.429 1.173 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1722295738 LMVFDCZOAGNRCT-HOCLYGCPSA-N 418.519 1.704 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1Cc1conc1COC 1722400933 FVWFRLPQWQCDJQ-UHFFFAOYSA-N 407.478 1.785 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN3C(=O)NC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1722593216 KEWXQTUMZCTKCW-IIBYNOLFSA-N 418.542 1.746 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)NC(C)(C)C 1722633853 GCWQURLNAZNVGW-UHFFFAOYSA-N 409.498 1.848 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722694930 MGOBIGNEDSGTIQ-QGZVFWFLSA-N 409.494 1.288 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N(C)Cc1cccc(C(N)=O)c1 1722697003 GQEILROKXPJBIB-UHFFFAOYSA-N 419.489 1.686 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCC1 1723866816 HCTXNCZJDMXYGL-OWCLPIDISA-N 411.576 1.359 30 10 HDEE COC[C@H](Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1)OC 1730476060 ATQYSXIFDWDUFN-SJORKVTESA-N 421.885 1.901 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C2CC2)C(=O)C1 1730923806 ORTNRCGXQVSAEX-UHFFFAOYSA-N 410.478 1.291 30 10 HDEE CC(C)C#CC(=O)N1C[C@@H](C)OC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1736591267 CMRIMRBHORIXQA-KKEPMVJESA-N 400.519 1.678 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1740548966 CODHROBGAGCCGN-NVXWUHKLSA-N 421.567 1.649 30 10 HDEE C#CCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1740581590 BJMHWAVQUPTYSZ-HNNXBMFYSA-N 415.519 1.429 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1740625224 DVTLSRZXIMDNKA-KURKYZTESA-N 422.551 1.225 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(CC)CC)n1CC1CCN(C(C)=O)CC1 1740661156 SNRIBCDQFAQEAQ-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCNC(C)=O 1740664492 SGTMBVWJCWGGKX-UHFFFAOYSA-N 403.508 1.334 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCCC2(C)C)CC1 1740688248 CENNGCDUUKSAHM-NRFANRHFSA-N 402.543 1.113 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1740887663 LBYQEJIWOINRBB-JKSUJKDBSA-N 412.556 1.777 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 1740958000 GPIKMGQMGQQKBG-MRXNPFEDSA-N 417.558 1.090 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)Cc1ccc2c(c1)OCO2 1740961790 JHKNLOLYZZKGFN-UHFFFAOYSA-N 420.473 1.931 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1740964041 FTBNYKOXWFUPKO-HXUWFJFHSA-N 416.457 1.000 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2cncn2)C1 1741005787 RICVIVHLDHGITC-MRXNPFEDSA-N 416.555 1.753 30 10 HDEE CC(C)NC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CC(N)=O)C1 1741687188 HGCSGPKUCIAJKR-KRWDZBQOSA-N 423.521 1.823 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)c1 1746506253 XDOSTLKNNBJRSC-RBUKOAKNSA-N 424.505 1.699 30 10 HDEE C#CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1748764256 IXEHHCUUOSXYSY-NQIIRXRSSA-N 414.510 1.446 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1748784117 BOWGHUPSGKBQOI-INIZCTEOSA-N 404.478 1.473 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2OC)n1CCS(=O)(=O)CC 1748835954 OOVXGTUPBOMUKO-UHFFFAOYSA-N 416.503 1.470 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCO[C@H]1C 1748956493 FEPIOPDYONQJCU-HRAATJIYSA-N 400.479 1.580 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCCn1ccnn1 1748956837 LAPOKIIQVQTMNH-UHFFFAOYSA-N 409.450 1.442 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H]1CCS(=O)(=O)C1 1748965716 VDOBFZFYYYBRSW-SFHVURJKSA-N 416.547 1.698 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2C[C@@]2(C)CN(C)C2=O)n1 1748970464 FJDZAYBALFTIFK-OAQYLSRUSA-N 413.526 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](CCC)OC)CC1 1749000894 CXMCYVIHZQYXBR-QGZVFWFLSA-N 418.542 1.197 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2CC2(C)CC2)CC1 1749005138 SIBGQNKLJVGXPH-INIZCTEOSA-N 403.527 1.768 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1749120530 FQLAHMCRMYNSKG-WMZOPIPTSA-N 411.510 1.388 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1749230233 VLFVIMYNFMLBEK-ZACQAIPSSA-N 405.499 1.700 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(C)CN(C3CC3)C2=O)CC1 1749324186 RGBVFLOKXCHBDI-NRFANRHFSA-N 400.527 1.830 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N(C)C[C@H]1COc2ccccc2O1 1749664704 XOTSNDMGFBALMV-INIZCTEOSA-N 420.473 1.919 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2CCNS(=O)(=O)c2ccc(C)s2)C1 1749697381 JPSUXUDBLHUURO-HNNXBMFYSA-N 411.553 1.716 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1749830809 QYJBKOUUUKVZIG-DBXWQHBBSA-N 419.526 1.877 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)no1 1751424779 AWWCRASCDSCQIR-OAHLLOKOSA-N 421.461 1.740 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1760173618 AFDRYRSJTCFFNG-HUUCEWRRSA-N 406.483 1.856 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCSC2)CC1 1760256222 GJXBDJWTDKHYTR-XLIONFOSSA-N 405.568 1.439 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(SC)CC2)CC1 1760256769 KOKCYJCJPXOQBH-HXUWFJFHSA-N 405.568 1.581 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccnc2OCC)CC1 1760260593 YQXCTVFBLWRHPL-UHFFFAOYSA-N 404.478 1.332 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=C)Br)CC1 1760263594 IBGABPKKUYMSPY-HOTGVXAUSA-N 424.343 1.666 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@]2(O)CCC[C@H]2C)CC1 1760268332 QALVRQJGYCCEGY-UZUQRXQVSA-N 422.533 1.857 30 10 HDEE C=CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSCC1 1760427879 KLTUOTKIUCFELS-HNNXBMFYSA-N 415.585 1.521 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(C)(=O)=O)CC1 1760440643 NSLLFCIFXFKIOC-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCS(=O)(=O)C1 1760505961 VATDDBOJJXLKFB-KRWDZBQOSA-N 422.555 1.213 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(CC2CCOCC2)CC1 1760516658 SCVNPFLCYQZEBN-QGZVFWFLSA-N 404.559 1.642 30 10 HDEE CCNC(=O)c1cccc(Cn2c(-c3cccn3C)nnc2N2CCO[C@@H](C#N)C2)c1 1765622592 AFCIKYQZLRESPY-SFHVURJKSA-N 419.489 1.810 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1768321798 UTQSKUMYEWESCT-GDLZYMKVSA-N 418.523 1.904 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCCOC[C@@H]2CCOC2)CCO1 1771537703 UAZLVNHMLWOFJQ-OALUTQOASA-N 412.494 1.436 30 10 HDEE CC[C@@H](Sc1nc(CC(=O)ON2C(=O)c3ccccc3C2=O)cs1)C(N)=O 1772787081 VSLOLFPWQWMHFI-GFCCVEGCSA-N 405.457 1.796 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCN(c4cccc(C#N)c4)CC3)cc2C1 1848915188 FTMWUZTYRQWOIN-UHFFFAOYSA-N 424.526 1.974 30 10 HDEE Cc1nn2c(C)c(C(=O)N[C@H]3CN(Cc4ccc(F)cc4)CCO3)cnc2c1C#N 1851565851 XAPMHPAPJLDYGM-LJQANCHMSA-N 408.437 1.945 30 10 HDEE C=CCOC(=O)[C@H](CC(=O)N[C@H]1CCCN(c2nccn(C)c2=O)C1)c1ccccc1 1852068078 RKRJUMCGFOVOOO-RBUKOAKNSA-N 424.501 1.768 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)C(=O)C2)C1 1853611268 PAROEVKBHZZJIU-QFBILLFUSA-N 414.481 1.110 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2snnc2CCC)C1=O 1853682221 JUAGHUBQXIMETJ-GJZGRUSLSA-N 405.524 1.341 30 10 HDEE N#Cc1ccc(CC(=O)N2CCC[C@H](N3CCN(CC(F)(F)F)CC3)C2=O)cc1 1853755604 MCNJQZLKGVOFLY-KRWDZBQOSA-N 408.424 1.798 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccc(F)cc3)C2)cc1 1854401086 IMRCCXPSLWQEIS-SFHVURJKSA-N 404.419 1.929 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)[C@@H](F)C3CCCC3)C2)CC1 1855838247 KSDLUTNISFKNFN-JXFKEZNVSA-N 413.497 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2C[C@H](CN3CCC(C#N)CC3)CC2=O)C1 1855852900 RSTBJBGTAUCYBU-INIZCTEOSA-N 404.511 1.854 30 10 HDEE N#CCC(=O)N1C(=O)CCN(Cc2nnnn2-c2ccc(F)cc2)c2ccccc21 1856145379 XBGRUVKRUIVTOZ-UHFFFAOYSA-N 405.393 1.985 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)C3CCC(F)(F)CC3)C(=O)O2)CC1 1856886442 PVDNJWPJMFWJGQ-CQSZACIVSA-N 419.450 1.725 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3C[C@@H](CN4CCC(CC#N)CC4)CCC3=O)nc2n1 1856956458 JJAQDUXHVQKRJV-QGZVFWFLSA-N 409.494 1.746 30 10 HDEE Cn1nncc1C(=O)N1C[C@@H](CN2CCC(c3ncccc3C#N)CC2)CCC1=O 1857230481 JVFINRQGNBPSPA-OAHLLOKOSA-N 407.478 1.340 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c3ccccc3nn2C)C1)[C@@H]1CCN(C)C1=O 1857263495 HIHWPVKJKICYJK-MAUKXSAKSA-N 409.490 1.281 30 10 HDEE CC(=O)N(CCN)C(=O)C(C)(C)NC(=O)C1CCN([C@H](C#N)c2cccs2)CC1 1868774424 HCEQMQGRGNGRHO-MRXNPFEDSA-N 419.551 1.253 30 10 HDEE C=CCn1cc(OCc2ccc(C(=O)OC)o2)c(=O)cc1CN1CCC(O)CC1 1870557646 ADRRZCAQKGOBOF-UHFFFAOYSA-N 402.447 1.950 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cccc([N+](=O)[O-])c1 1870962290 QMUQJKNCGRMATP-UHFFFAOYSA-N 416.434 1.696 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1/N=C/c1ccc(OC)c(O)c1 1874499506 RXIRKAKRDZVLJZ-VXLYETTFSA-N 407.496 1.981 30 10 HDEE C=C(C)Cn1nc(C)c(-c2cc(C(=O)N3CC(Cn4cc(COC)nn4)C3)n[nH]2)c1C 1891396420 FHDGAFFAAGOBCV-UHFFFAOYSA-N 424.509 1.976 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](COc3cc(C(N)=O)ccn3)C2)cc1 1891509552 JGGDLTITXOZJLA-OAHLLOKOSA-N 400.460 1.532 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1C 1965341011 KQSFEXAKZPIGAN-JTQLQIEISA-N 400.277 1.501 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN(C)Cc1ccccc1)C(=O)O 1984852338 UPNFNJRCXQXJNK-ROUUACIJSA-N 417.506 1.995 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCNS(=O)(=O)N1CC[C@@H](C#N)C1)C(F)(F)F 2118164582 ZLJMPTFIKBWJNS-WDEREUQCSA-N 400.423 1.512 30 10 HDEE CC(C)[C@@H](C#N)C(=O)N=[S@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818614 BUTCKGYGIJAYKJ-ASHKIFAZSA-N 401.533 1.721 30 10 HDEE C[C@H](NS(=O)(=O)CCS(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177632994 ZCRPTQOUNYSNJC-NSHDSACASA-N 423.387 1.072 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)Nc1ncc(I)cn1 2189860167 LHTVXUSRJJZALX-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE C=C(CNC(=O)c1nc(S(C)(=O)=O)ncc1Cl)B1OC(C)(C)C(C)(C)O1 2197725455 DSYVENFKRRYGLQ-UHFFFAOYSA-N 401.681 1.451 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CO1 2243389581 VNWFDLDTOWVOQI-GFCCVEGCSA-N 408.260 1.860 30 10 HDEE Cn1nc(C(=O)NC/C=C/CNC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247920841 DZNDXQMWQCGQAO-MDZDMXLPSA-N 420.319 1.530 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258138304 IMHVYBVYLMUOMC-IRXDYDNUSA-N 410.492 1.825 30 10 HDEE C#CC(CO)(CO)NC(=O)c1ccc(Br)cc1I 2261449381 DHYQBEOGHCLRAQ-UHFFFAOYSA-N 424.032 1.140 30 10 HDEE C[S@@](=O)CC1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2267368374 IIQHMGJRHXMNJY-XMMPIXPASA-N 405.372 1.046 30 10 HDEE Cn1nc(C(=O)N2CCC[C@@H]2C2OCCO2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2267503607 GLQAHYJNWHLNBO-LLVKDONJSA-N 411.695 1.350 30 10 HDEE C=CC1(O)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267702177 BWTPQLPYZAWBQT-UHFFFAOYSA-N 405.734 1.622 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCO[C@H]3CCNC3)sc2Cl)OC1(C)C 2281964470 YOZCRUNVQSKPPP-NSHDSACASA-N 400.737 1.809 30 10 HDEE COC[C@@H](CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282341201 PBACNCDCQIEGKQ-GFCCVEGCSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N2CCC[C@H]2CN)OC1(C)C 2282408499 IOUNJLRLODXZJY-LBPRGKRZSA-N 400.737 1.751 30 10 HDEE C[C@H]1OCCO[C@@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282408793 KTRZBRSUTMGRCO-DGCLKSJQSA-N 403.331 1.130 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN[C@H](C)[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282425545 RAXWISWDLUBVGK-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE C[C@H]1C[C@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CO1 2282505033 XPVYOTJTWBSODZ-NWDGAFQWSA-N 402.347 1.287 30 10 HDEE CC(C)[C@@H](O)[C@@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282509705 NWBLONVCCYBIAA-DGCLKSJQSA-N 404.363 1.267 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3CC(N)(C(=O)O)C3)sc2Cl)OC1(C)C 2282611050 GHIYZCVJVAFOLT-UHFFFAOYSA-N 400.693 1.375 30 10 HDEE CCNC(=O)CCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282829939 MXLXRNZVGKSILN-UHFFFAOYSA-N 422.765 1.505 30 10 HDEE CN(C1(CCO)CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282843743 RQYHYMUTYKBMID-UHFFFAOYSA-N 401.359 1.724 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CO[C@H]3C[C@@H]2C3)OC1(C)C 2282846068 CWDHSRPFQXVDKH-TUAOUCFPSA-N 400.331 1.039 30 10 HDEE C[C@H]1CC[C@@](CO)(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282851419 BKAHWXPLGWWEBI-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2C[C@@H]2CO)OC1(C)C 2282866939 QWMVDRUWIZSCCO-NWDGAFQWSA-N 401.721 1.546 30 10 HDEE CN(C)CCC1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282867036 SGTRLDGFLUMRQI-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CCCNC3)s2)OC1(C)C 2282867870 FLZAEEAIHYUCDK-CYBMUJFWSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@@H](C(=O)O)C2CCC2)OC1(C)C 2284404842 ZZZKKMQPZCBEKR-CYBMUJFWSA-N 401.315 1.579 30 10 HDEE C[C@@H](C(=O)O)N(C1CC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284417938 RRNJKYNFBFYXBR-JTQLQIEISA-N 401.315 1.674 30 10 HDEE CCc1nc(C(=O)NCCSCC(=O)O)c(B2OC(C)(C)C(C)(C)O2)s1 2284420290 AAKNWNUGLGNOBB-UHFFFAOYSA-N 400.331 1.552 30 10 HDEE O=C1C(=O)N(CCO)[C@@H](c2ccc([N+](=O)[O-])cc2)C1=C(O)c1ccc([N+](=O)[O-])cc1 2296936001 TWDUYHNZZWIGQQ-INIZCTEOSA-N 413.342 1.917 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2361663702 ZLMDWYXHDRSRJD-DOMZBBRYSA-N 408.471 1.701 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)[C@]1(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365207753 QEKVJDJTUAPSDC-YGTYGHESSA-N 402.557 1.394 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O 2365245597 ZMWBNMYHJHXJCE-KGLIPLIRSA-N 405.513 1.834 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1[C@](C)(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367789759 FFEHEOMTAZRQCD-GUYCJALGSA-N 401.481 1.436 30 10 HDEE CO[C@@H]1COCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2379678380 NZYVZJAAXBEDOW-LBPRGKRZSA-N 403.331 1.083 30 10 HDEE Nn1c(N/N=C/c2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1nccs1 20292058 VNZLLTOGSVWVOY-REZTVBANSA-N 419.452 1.533 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@@H](CN(CCOC)C(=O)c2ccc(C)cc2)C1 34691398 BWKXYBGTOJLOAI-LEWJYISDSA-N 406.523 1.348 30 10 HDEE Cc1cc(C)nc(N/C(O)=N/S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)n1 39303876 JIRAPWRULRYZPQ-UHFFFAOYSA-N 413.481 1.059 30 10 HDEE Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](NOC(=O)C(C)(C)C)C(=O)O)c2)cc1 71257057 MZELNZBDOLPXGZ-OAHLLOKOSA-N 409.464 1.518 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@H]1c1cccs1 101442789 VNVDDIWAOUOLSS-DGCLKSJQSA-N 413.459 1.398 30 10 HDEE CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc1 409725658 HXNWGMYYJVRTJP-HZPDHXFCSA-N 410.478 1.411 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 426052238 RZKYDSCAJDTCED-OLZOCXBDSA-N 413.396 1.812 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 437642133 UDLRDLGSIWAFFA-SFHVURJKSA-N 411.480 1.657 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCc2nc(-c3ccccc3)n[nH]2)c1 440091437 KSNJKSDQAVBHOD-UHFFFAOYSA-N 411.487 1.909 30 10 HDEE CC(C)C(=O)N1CCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 443518236 FSEUQMHWXBLNOB-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE COC(=O)CN(CC#N)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 445937921 MHNNTZMZTRCKCW-NSHDSACASA-N 417.281 1.384 30 10 HDEE CN(C)c1ccc(NC(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)cn1 446212930 XFWMRICPLFAJIM-UHFFFAOYSA-N 408.462 1.859 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCn2c(O)nnc2C1 460107119 ORNCBKZEZWNZLX-UHFFFAOYSA-N 422.239 1.438 30 10 HDEE N#C[C@H](NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21)C1CC1 464398677 WVLVHNFYXROKSN-JLPZLSSXSA-N 401.466 1.884 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC(n3cc(C(N)=O)nn3)C2)cc1 467169855 DVAKODQZSKERFB-UHFFFAOYSA-N 409.450 1.280 30 10 HDEE COc1cccc(C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482170628 NGAKKUHVCVNCBN-GJZGRUSLSA-N 401.488 1.981 30 10 HDEE CCOC(=O)C1(COC)CCN(C(=O)C(=O)Nc2nn(C(C)C)cc2C#N)CC1 485058416 NYUBVCOHZVCDOG-UHFFFAOYSA-N 405.455 1.092 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1ccc(C#N)c(Br)c1 487859577 SFHBWWWOQJIIPT-NXEZZACHSA-N 411.256 1.899 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 492781136 AZNUKKMTOKLTJF-CABCVRRESA-N 417.579 1.968 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCN(CC(F)(F)F)C(=O)C3)C2=O)cc1 501195011 PHRFFIUTAWKUSH-HNNXBMFYSA-N 423.395 1.470 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@@H](O)CS(=O)(=O)c1cccs1 507299473 BROKVTYJZKFFJR-PXAZEXFGSA-N 416.521 1.261 30 10 HDEE CCc1c(C(=O)N[C@@](C)(C#N)CCc2ccccc2)cnc2c1c(=O)n(C)c(=O)n2C 513778247 KIVIJURQCCKXIX-HSZRJFAPSA-N 419.485 1.839 30 10 HDEE N#C[C@@H](NC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1)C1CC1 524571535 GXVAZHDIEVRCRB-CTNGQTDRSA-N 402.454 1.918 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN([C@H](C(=O)O)c3ccccc3)C2=O)c(F)c1 530382453 HSZGBILOSWNIAT-RDJZCZTQSA-N 417.418 1.402 30 10 HDEE Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(c3ncccc3C#N)CC2)c(C)c1 532739245 VQKNDBQDQIPJQI-UHFFFAOYSA-N 420.517 1.755 30 10 HDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2c(C)c(C)nn2-c2ccc(C#N)cc2)C1 536422501 UVSKUYYGRPTEKA-KRWDZBQOSA-N 422.489 1.817 30 10 HDEE N#C[C@@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)c1ccc(OC(F)(F)F)cc1 540627657 FSMKAFQTGGINOJ-CYBMUJFWSA-N 400.338 1.622 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)CC2)o1 555160716 ZILQBUYGBRFEHL-UHFFFAOYSA-N 421.523 1.098 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)cc1 557979709 JMFBNXPTOKKZAU-QZTJIDSGSA-N 418.453 1.324 30 10 HDEE COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 558483401 OTTWDZNNFLNJRQ-UHFFFAOYSA-N 418.427 1.619 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)O)cc1C#N 583120110 YILQSOOOIAWPNE-LBPRGKRZSA-N 413.377 1.901 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CC(=O)N(C)CCC#N)cc21 586315797 PUMXHAYOGDBVKE-MLNJSSBLSA-N 417.487 1.290 30 10 HDEE CN1C(=O)N[C@]2(CCC[C@H]2CNC(=O)NCCSCc2ccccc2C#N)C1=O 610591933 APNABBBYSOWFTI-JXFKEZNVSA-N 415.519 1.811 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ncccc4C3)CC2)cc1 611007506 ODBLERWGJJEVMN-UHFFFAOYSA-N 410.499 1.939 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 611108096 XNMPTRQBTXHKHM-UHFFFAOYSA-N 419.528 1.962 30 10 HDEE C#CCN(C(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)[C@@H]1CCS(=O)(=O)C1 729333846 AGJATYAPNSRCRB-GOSISDBHSA-N 403.479 1.820 30 10 HDEE N#Cc1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c(F)c1 729836958 VXQFPEABTVLSAX-UHFFFAOYSA-N 421.425 1.787 30 10 HDEE N#C[C@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)c1cocn1 729888112 HFLOVGORXOXYOX-HNNXBMFYSA-N 402.432 1.810 30 10 HDEE COCCCn1c(C)c(C)c(C#N)c1NC(=O)COC(=O)[C@@H]1CSCN1C(C)=O 730309959 KHVWFVUOWTVVSC-INIZCTEOSA-N 422.507 1.416 30 10 HDEE COc1ccc([C@H](CNc2ccc(S(N)(=O)=O)cc2C#N)N2CCOCC2)cc1 731902145 WPCQKOKWJASVHA-FQEVSTJZSA-N 416.503 1.700 30 10 HDEE CCn1c(=O)nc(O)c2c(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)cc(C(C)C)nc21 732664027 AYYNPEGWASESFA-AWEZNQCLSA-N 410.478 1.453 30 10 HDEE C#CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1 733355910 LOKJKOZMUZOYNA-UHFFFAOYSA-N 400.298 1.488 30 10 HDEE C=C(COC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)c1)C(=O)OCC 734025318 KWQDTKMOPCXGAZ-GASCZTMLSA-N 411.476 1.761 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1sccc1S(=O)(=O)N(C)C 734292945 LBCIVBXGLCNPGC-UHFFFAOYSA-N 413.502 1.297 30 10 HDEE C#CCSCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)C[C@H]2CCCO2)cc1 740510586 RRRWCVOHMORVQC-OAHLLOKOSA-N 410.517 1.060 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCOC(=O)[C@@H](C)Oc1ccccc1C#N 748865159 MGWSJGHJVZHUQK-VGSSETLESA-N 404.444 1.849 30 10 HDEE C#CCN(Cc1[nH]c(C(=O)OCC)c(C)c1C(=O)OCC)[C@@H]1CCS(=O)(=O)C1 749283360 ASROMDJZQHNLID-CQSZACIVSA-N 410.492 1.299 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ncn(C2CCCCC2)n1 753111898 CMRIXXVRYHJFCZ-UHFFFAOYSA-N 402.480 1.851 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)N[C@](C)(c2ccc(S(C)(=O)=O)cc2)C1=O)C1CC1 753987282 FYPHCFBILIGZRZ-BFUOFWGJSA-N 404.492 1.439 30 10 HDEE C#CCN(C(=O)c1cccc(I)c1O)[C@H]1CCS(=O)(=O)C1 755127400 WHNRZRBXNZCLGS-JTQLQIEISA-N 419.240 1.259 30 10 HDEE C#CCN(CC#C)Cc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1CCC 756545359 SRBCZUFCCUYZHZ-UHFFFAOYSA-N 414.531 1.536 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1cc2c(cc1OC(F)F)OCO2 756984093 CFYVLDAYTUGOQN-WUKNDPDISA-N 409.345 1.549 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1Cc1ccccc1 763435779 AFQIYKNQCZWYKK-UHFFFAOYSA-N 406.511 1.326 30 10 HDEE N#CCOc1ccccc1C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 767147301 DGGIVFNIWDMHPS-OALUTQOASA-N 404.470 1.918 30 10 HDEE C[C@]1(CCc2ccccc2)NC(=O)N(NS(=O)(=O)CC2(C#N)CCCC2)C1=O 767531565 BCRCHEOENLRSEM-GOSISDBHSA-N 404.492 1.848 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)cc1 772926692 URMYICDCZPKBBO-ZBFHGGJFSA-N 407.492 1.195 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)CC1 781965406 SPIHKACFFUKGGU-UHFFFAOYSA-N 410.377 1.094 30 10 HDEE CCN(CCC#N)C(=O)COC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 786295344 ASLNPVABIDQTEG-UHFFFAOYSA-N 403.483 1.385 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nc(CN3CCOCC3)cs2)n1 788534734 ZLJDDADMPXAMOH-UHFFFAOYSA-N 418.523 1.486 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cccc(CC(=O)OC)c2)n1 810076930 PILMQETVQWBQLH-UHFFFAOYSA-N 405.476 1.069 30 10 HDEE CO[C@@H]1COC[C@H]1n1cc(COC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)nn1 811087820 QPHWJCNYAZFIET-NIKGAXFTSA-N 415.425 1.445 30 10 HDEE C[C@H](C#N)OCCOC(=O)C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@@H]12 811362796 GOSDVHZETDQZDG-ZSGYZSAGSA-N 420.465 1.938 30 10 HDEE CC(C)(C)N/C(=N/CCCNC(=O)c1ccccc1)NCCCN1CCOCC1 912506183 KFCDSKUPEQDJRF-UHFFFAOYSA-N 403.571 1.863 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1=O 1125312585 CUXTXKPMHPPGJR-UHFFFAOYSA-N 423.473 1.419 30 10 HDEE C#CC[C@H](COC)NC(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1131944872 LXSIYHJTYSMJRT-GOSISDBHSA-N 406.504 1.444 30 10 HDEE CC(C)(C)OC(=O)CN1CCCC[C@@H](NC(=O)Cc2ccc(OCC#N)cc2)C1=O 1132647038 FDJAIGGVRIOLKL-GOSISDBHSA-N 415.490 1.970 30 10 HDEE C[C@H](C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O)n1cnc(C#N)n1 1133009211 XEXYJCSIMAPNRJ-RNCFNFMXSA-N 403.240 1.543 30 10 HDEE C=C(C)CN1CCC(NC(=O)c2cn(C)nc2CN2C(=O)c3ccccc3C2=O)CC1 1136669851 RSTSHFUVXJWANO-UHFFFAOYSA-N 421.501 1.987 30 10 HDEE C#CCN(CC(=O)N1CCc2c(cccc2S(=O)(=O)NC)C1)C(=O)OC(C)(C)C 1140567247 HOEJEYXSPSKCTN-UHFFFAOYSA-N 421.519 1.350 30 10 HDEE C#CCN1CCC(C(=O)N2CC(n3cc(CNC(=O)OC(C)(C)C)nn3)C2)CC1 1175846003 SPKIETFPHDOKRI-UHFFFAOYSA-N 402.499 1.031 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCS(=O)(=O)C[C@H]1CCO 1176335801 PZRUZTRPTZWCGR-HUUCEWRRSA-N 411.549 1.358 30 10 HDEE C#CCN(CC(=O)Nc1ccc2c(c1)S(=O)(=O)CC(=O)N2)C(=O)OC(C)(C)C 1177004035 WJAKGLTWWXCLDC-UHFFFAOYSA-N 407.448 1.221 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC(c3n[nH]c4c3COCC4)C2)s1 1181175618 PMZIVYRFTFGMKJ-UHFFFAOYSA-N 422.532 1.177 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1 1185458103 GLBBMTKHVDVMAU-GOSISDBHSA-N 413.565 1.076 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1213276224 KXJKMAWPTULVJP-OAHLLOKOSA-N 400.522 1.178 30 10 HDEE COc1cccc2c1OCCC[C@@H]2NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1248200332 VBKFNCQCSJIMAC-HNNXBMFYSA-N 411.418 1.309 30 10 HDEE C#CCCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(C)=O)C[C@H]1C 1286324673 SCFOPPDCFMRCIQ-OAHLLOKOSA-N 412.494 1.866 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1CCC(=O)NC(C)(C)C 1286398926 TZHWUYWSHQVYFT-UHFFFAOYSA-N 400.527 1.574 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(S(C)(=O)=O)CCCC2)CC1 1286644952 OSEZGARAEDNGKR-HNNXBMFYSA-N 407.540 1.743 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1286698231 QAUDTPKJXGDVKV-UHFFFAOYSA-N 405.528 1.562 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(C)C(=O)[C@H]1C 1286709059 LKILIRWZLPZISY-OAHLLOKOSA-N 413.478 1.933 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286716572 PNYDTOWOXDGGHN-RBUKOAKNSA-N 405.543 1.881 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286770564 OXAMAWZDWZTFKZ-HNNXBMFYSA-N 416.507 1.091 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1286780491 WASYMWNARGLPBU-HXUWFJFHSA-N 414.897 1.760 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@@H](n2cncn2)C1 1286788184 RSNBMORMZQKQIK-HZPDHXFCSA-N 400.487 1.255 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccco1 1286788453 WQOSZLHHDMMLCX-LSDHHAIUSA-N 419.507 1.417 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCNc2ccccn2)C1 1286808990 OUHUKYIWUJKWQV-IRXDYDNUSA-N 411.510 1.908 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1286924478 HJRPLCZOPYBRDE-KRWDZBQOSA-N 419.493 1.346 30 10 HDEE CC(C)[C@H]1CCCN1c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1287248675 FWBZYQCWFSSPTJ-QGZVFWFLSA-N 407.482 1.925 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N1CCOCC1 1297355182 QDMWMZRTNKOHPR-MOPGFXCFSA-N 424.505 1.417 30 10 HDEE CN1CC[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1299745202 GNAFJSBWLBJPQQ-SDMXJPDVSA-N 404.511 1.758 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1300358471 WBGSQMXESSMHOB-IBGZPJMESA-N 424.553 1.225 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nccs2)C1 1300410138 LLGLRDSUJHDUFD-HUUCEWRRSA-N 421.548 1.628 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](OC)C(C)C 1300440293 SNAGYYMQJBYKEB-SFHVURJKSA-N 419.551 1.936 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@](C)(O)c1cccs1)[C@H]1CCS(=O)(=O)C1 1300493913 XDIAMQHEVQKAQE-HNAYVOBHSA-N 420.560 1.751 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1300569786 BBRCCBMPUZGZST-HXUWFJFHSA-N 405.550 1.829 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C(=O)NC 1300756948 WXRIYRUHMKRETA-CYBMUJFWSA-N 418.523 1.191 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCNS(C)(=O)=O 1300845643 YXBLRTUWCQTPOI-LBPRGKRZSA-N 422.349 1.066 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1300885664 ROUYHBPKWVNSCR-IKGGRYGDSA-N 410.540 1.388 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1301083879 RRSKEVLGKKPKPX-DOTOQJQBSA-N 400.414 1.442 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1CC(=O)NCc1ccco1)C1CC1 1301313196 YQFQFOKSRNBDDH-UHFFFAOYSA-N 421.461 1.990 30 10 HDEE C=CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1301322966 BSTLGLHZHYPDTL-UHFFFAOYSA-N 419.489 1.691 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1301326976 KAVVFVNPQRTQDI-GOSISDBHSA-N 402.543 1.491 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1CC1(O)CCN(C(C)C)CC1 1301423957 FRVOSMYZKUHJEL-SFHVURJKSA-N 407.559 1.656 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](C[C@@H]2CCOC2)C1 1301491597 UEXVGALXBDEMOD-IRXDYDNUSA-N 413.526 1.624 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2OC)nnc1N1CCOC[C@H]1C 1301586090 DCXYLSSKGPWHHO-MRXNPFEDSA-N 420.535 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)CC1CC(F)C1 1301593666 SLJGTXBEDSMVLP-UHFFFAOYSA-N 424.546 1.925 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N(C)CCC(=O)NC 1301609751 NJHWBDXRHHLJHL-UHFFFAOYSA-N 406.512 1.497 30 10 HDEE CS(=O)(=O)N=S1(=O)CCN(c2ccc(C#N)c(Br)c2F)CC1 1307126404 VHCPGWQDHHVWEJ-UHFFFAOYSA-N 410.290 1.707 30 10 HDEE C#C[C@H]1CCCCN1CCS(=O)(=O)N1CCN(C(=O)OCc2ccccc2)CC1 1308143272 UFDDGEOGOGLXFX-FQEVSTJZSA-N 419.547 1.758 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[S@]4=O)C2=O)cc1 1312626536 OPYCYHOQNANRIF-JVPBXQGDSA-N 400.504 1.354 30 10 HDEE COCCCN(C(=O)c1cccc(C#N)c1Br)[C@@H]1CCS(=O)(=O)C1 1349135178 JJHZYGFKLVHYKL-CYBMUJFWSA-N 415.309 1.987 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)c2ccc(C#N)c(Cl)n2)cc1 1356068677 URCSEIWDPDTFMA-UHFFFAOYSA-N 421.862 1.624 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCC(=O)NC1CCCCC1 1358895048 BLVDUVZVHWMPOD-INIZCTEOSA-N 400.527 1.697 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1358927007 JJSCVATZRBAJAH-UHFFFAOYSA-N 412.542 1.082 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1CCOCC(F)(F)C(F)F 1358946941 NQINBCAQIXFYPY-UHFFFAOYSA-N 417.363 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 1358981219 BDNIXXGRIPVSQV-WMZHIEFXSA-N 410.566 1.984 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2nccnc2C)CC1 1359037567 OGAMWSXEMBVKGP-UHFFFAOYSA-N 402.506 1.360 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C)[C@@H](OC)C1 1359049473 PUZJBXGLLRAKSE-ILXRZTDVSA-N 415.585 1.116 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@@](C)(C(N)=O)C1 1359051196 OZFGIGJNVNAKJY-LJQANCHMSA-N 414.491 1.921 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC(C)(OC)C1 1359224127 HJPCYMVFEJTVJX-UHFFFAOYSA-N 410.482 1.739 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccc(OC)c(C)c1 1359297769 BGMXWLSQHNOOSM-UHFFFAOYSA-N 409.494 1.934 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](Cc2ccccc2)C1 1359300930 NDVMSYHSOFLXIS-OALUTQOASA-N 411.506 1.532 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1360475979 GFEPDNACXWGVMP-QOSLBHJFSA-N 421.567 1.860 30 10 HDEE Cc1ccc(CNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)cc1C#N 1439171169 QTIICJHACWXPQS-UHFFFAOYSA-N 415.251 1.389 30 10 HDEE C[C@@H]1CCCc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n21 1441008336 HJFPURUWJRAXHI-OAHLLOKOSA-N 413.503 1.799 30 10 HDEE CC[C@H](C)[C@@H](NC(=O)c1[nH]c2ccccc2c1C#N)C(=O)NCCN1CCOCC1 1443334749 HMSMUYDIOOGTFA-HNAYVOBHSA-N 411.506 1.632 30 10 HDEE N#Cc1ccc(Oc2cccc(NC(=O)[C@@H]3CCCN(S(N)(=O)=O)C3)c2)nc1 1444602168 AECRNDVGNCRDDG-CQSZACIVSA-N 401.448 1.600 30 10 HDEE C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)c1nccc(N)n1 1468399961 ZHKQBVGBLILOSY-CYBMUJFWSA-N 416.507 1.535 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)Nc2ccc(CC)cc2)c1 1468477970 FAZUGJIULRNDNP-INIZCTEOSA-N 402.472 1.782 30 10 HDEE CC(C)[C@@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C1(CO)CC=CC1 1469589393 KDTKDOKPSBHRCC-GOSISDBHSA-N 405.520 1.585 30 10 HDEE CC#CC[C@@H](CO)NC(=O)C1CCN(c2ccc3nnc(C(F)(F)F)n3n2)CC1 1469814840 OAYFHKKXGYAZOE-ZDUSSCGKSA-N 410.400 1.250 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1C[C@@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1473706677 BIHATODVOPIRTB-GBLZOACLSA-N 400.504 1.861 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1CCOCC(F)F 1494107238 MGOKFVTYWOWMET-ZDUSSCGKSA-N 404.421 1.765 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br 1507712858 RCQHUGNSVSETNL-SNVBAGLBSA-N 406.231 1.303 30 10 HDEE C#CCN1CCN(c2nnc(C(C)(C)C)n2CCCN(CC)S(C)(=O)=O)CC1 1507722148 QEYRBQMQHQVEBY-UHFFFAOYSA-N 410.588 1.002 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ncccc2Cl)CC1 1507723236 AGFVNWBYXJAAAD-UHFFFAOYSA-N 424.896 1.618 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)SC)CC1 1507737686 BXTIHLMKFFWOAV-WBVHZDCISA-N 405.568 1.889 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@H](NC(C)=O)C1 1507743849 LJCRZSZGLBXVMP-KRWDZBQOSA-N 420.583 1.668 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCN(C(C)=O)CC1 1507973507 GWGWMFVZSGUCAS-UHFFFAOYSA-N 403.918 1.780 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCCOCC1 1508070988 HIAIGDAUFOMBQR-UHFFFAOYSA-N 412.494 1.676 30 10 HDEE C=CCNC(=O)Cn1c(CSc2ccc(C)cc2)nnc1N1CC[C@H](C(N)=O)C1 1508094507 OOPZKVDBYCYQRL-HNNXBMFYSA-N 414.535 1.493 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(C)C(=O)[C@H]2C)nnc1C1(c2ccccc2)CCC1 1508099443 XPCVBGUARXYHSE-QGZVFWFLSA-N 422.533 1.717 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](OC)C(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1508099469 YPOUTWXUENQXAR-KKSFZXQISA-N 421.542 1.482 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1508129737 RKSXOQJHXZJUQX-QZTJIDSGSA-N 410.522 1.960 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1N(C)CCCC1(C)C 1509637281 FZCRTFFGNQKUIU-YWZLYKJASA-N 405.522 1.979 30 10 HDEE Cc1cc([C@@](C)(O)Cn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)c(C)o1 1510550178 CLWQNBDWURXWPF-MDYRTPRTSA-N 401.467 1.976 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)[C@H](C)CC#N 1515288277 BCOUZAQNDNONCD-CQSZACIVSA-N 408.470 1.137 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCO[C@H]2CCOC2)CC1=O 1517415994 OEJLREXOURPBHE-SFHVURJKSA-N 410.478 1.291 30 10 HDEE COCc1nocc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C 1518834759 VWUGUFWAASDLRQ-AWEZNQCLSA-N 421.461 1.666 30 10 HDEE Cc1cc(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)nn1CCC#N 1521059876 BWIMTSXGWQFLGM-UHFFFAOYSA-N 424.504 1.176 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](CC(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1521090112 PUDJVNRKYVFWJP-HKUYNNGSSA-N 424.505 1.714 30 10 HDEE CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1523978958 BRLRREUUXXCJTR-SFHVURJKSA-N 408.462 1.592 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cc(C#N)ccn1)C2 1537707248 RPQFUAAXAGPCCY-LRAJWGHMSA-N 414.462 1.872 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCN(CC)C1 1538991776 DKTIBJWJETVPOG-IRXDYDNUSA-N 405.510 1.721 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](c2ccco2)C1 1539124810 HZMWITVBVDEFTI-WBVHZDCISA-N 404.492 1.765 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(CC)s1 1539180075 WEKBZRKHBSAFAI-INIZCTEOSA-N 423.564 1.353 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCc2cnn(C)n2)CC1 1539849459 XDJNNPUUOGFTBO-HNNXBMFYSA-N 405.528 1.098 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCN(C)C(C)(C)C1 1540044117 LVLAVJAFMOLTTR-UHFFFAOYSA-N 412.542 1.574 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1540208071 WCHHLFHAYSEZPS-CABCVRRESA-N 405.499 1.881 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1540870511 PGHRXQNOCYWZCM-INIZCTEOSA-N 403.527 1.870 30 10 HDEE CC(=O)N1CCCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1540968130 GLTYFPMHKJRLQU-UHFFFAOYSA-N 405.462 1.835 30 10 HDEE Cc1cnn(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)(=O)CC2)c1 1542825945 FABZIRJSFFKCLG-UHFFFAOYSA-N 411.491 1.257 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@@H](CC(N)=O)C3)n2Cc2ccc(C#N)o2)n1 1543051992 KYFYBXXJSBROFE-INIZCTEOSA-N 422.493 1.745 30 10 HDEE Cn1cnnc1[C@H]1CCCN1c1nnc(-c2cccc(C#N)c2)n1CCOCCCO 1554352477 SJJOZIGCYKWTTI-GOSISDBHSA-N 422.493 1.686 30 10 HDEE COC[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1)OC 1555255552 GXWKLPFNCPQHBL-SZMVWBNQSA-N 404.515 1.010 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CCSCC(F)(F)F)CCO1 1555993379 NNMMBBXJYIBIBM-MNOVXSKESA-N 404.418 1.253 30 10 HDEE CN(C)CCNS(=O)(=O)c1cccc(NC(=O)c2cc(F)c(C#N)c(F)c2)c1 1556146714 AOLOMVSZGGOPQP-UHFFFAOYSA-N 408.430 1.929 30 10 HDEE C=C[C@H](CO)NC(=O)CS[C@@H](C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 1557621474 DHCAPJVGFPXNGE-LSDHHAIUSA-N 418.519 1.208 30 10 HDEE C#CC[C@H](CCOC)NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1 1557770852 XUUNUJQFECYBML-QGZVFWFLSA-N 407.536 1.963 30 10 HDEE N#Cc1ccc(Cl)c(S(=O)(=O)NCC(=O)Nc2ccc3c(c2)OCCO3)c1 1561806120 HCXMXNZLQIKYIJ-UHFFFAOYSA-N 407.835 1.900 30 10 HDEE Cc1nsc(NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N 1585892690 NYJTZEXJPDTAGC-UHFFFAOYSA-N 408.509 1.405 30 10 HDEE C#C[C@H](NC(=O)c1cn(C)nc1CN1C(=O)c2ccccc2C1=O)C1CCOCC1 1586729490 ALXAVUYPTXYGQA-SFHVURJKSA-N 406.442 1.375 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OC(C)C)CCOC1 1587793483 OBHSUWUTHZJITP-SIKLNZKXSA-N 417.554 1.643 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](F)COC 1587932023 JHZIIAAINNEXAO-OAHLLOKOSA-N 409.487 1.249 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H](C)SC)[C@H]1CCS(=O)(=O)C1 1588045980 VDEUZFHBZQFHRJ-HOCLYGCPSA-N 405.549 1.718 30 10 HDEE C#CCN(c1nnc(Cc2cn3ccccc3n2)n1CCC)[C@@H]1CCS(=O)(=O)C1 1588064262 FASSHUOSXPUJLI-QGZVFWFLSA-N 412.519 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1ccc2c[nH]nc2c1 1588075034 VXTBJZLARJNZHZ-UHFFFAOYSA-N 401.474 1.706 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1 1588199431 OLFIKEYCYBCXNP-UHFFFAOYSA-N 419.453 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC1(S(C)(=O)=O)CCCC1 1588228754 LLVSYYIHOJBCBF-QGZVFWFLSA-N 404.536 1.602 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CC(F)(F)CO1 1588292748 AECZLHHVBFKZSR-MRXNPFEDSA-N 414.420 1.805 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(Cc2nc(O)c3ccccc3n2)CC1 1588983981 DTKMTWUDEFAQNV-UHFFFAOYSA-N 423.546 1.924 30 10 HDEE C=C1CCN(c2nnc(Cn3ccc4ccccc43)n2CCNS(C)(=O)=O)CC1 1594122576 SSZLVOTYMHHJRD-UHFFFAOYSA-N 414.535 1.987 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)NC)CC1 1594824285 FIEVIOPJNKELET-UHFFFAOYSA-N 416.530 1.194 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)Oc2ccc(OCC)cc2)nnc1N1CCOCC1 1595476265 JFCDHCRYJUHGJO-MRXNPFEDSA-N 415.494 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1595500947 GYUBDAODRUOBMA-IRXDYDNUSA-N 411.462 1.924 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)c2ccc(O)cc2)s1 1595753294 XMVJXLFWTZZULL-UHFFFAOYSA-N 423.516 1.007 30 10 HDEE C#CCN1CCC(NC(=O)Cn2cnc3ccc(Br)cc3c2=O)CC1 1596610740 VYTUMLIAVOUINM-UHFFFAOYSA-N 403.280 1.373 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1611292686 QZTILKPRRFYJFV-DZGCQCFKSA-N 416.507 1.366 30 10 HDEE CCO[C@H]1CCCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1616611622 MNGUUVGGXUGZCF-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2CC(=O)N(CCOC)c1c(O)nc(=O)n(CCCC)c1N 1620441536 RETKXHZCUJYHRG-IYBDPMFKSA-N 419.526 1.494 30 10 HDEE C=C[C@H](C)ONC(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccccc1C(F)(F)F 1631874567 XZMHEAPKKYFZHG-CMPLNLGQSA-N 423.413 1.240 30 10 HDEE C#C[C@H](NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C)[C@H]1CCCO1 1633397641 MWRRKSCSOBUVNI-VQTJNVASSA-N 415.515 1.711 30 10 HDEE Cn1nnnc1C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1633845044 DBZRXWUZXAKWGT-UHFFFAOYSA-N 402.499 1.567 30 10 HDEE COCCn1cc(CNC(=O)c2cnn(CCC#N)c2-c2ccccc2)c(O)nc1=O 1636518135 MTCBXUZKOMUVNW-UHFFFAOYSA-N 422.445 1.302 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCN(C(=O)Cn3cc(C#N)c(O)nc3=O)C2)C1 1637078637 PFUJLFJUBFMBCA-HXUWFJFHSA-N 417.466 1.070 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CN(c3ccc(F)cc3)C2=O)c1 1638347777 LYFVLQNXPFLROA-MRXNPFEDSA-N 405.382 1.407 30 10 HDEE C=CCCC[C@@H](NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C(=O)OC 1638401074 GEBVVMOFPKBSKN-LSDHHAIUSA-N 411.499 1.468 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1639615361 LBFJNHBGRFGVKY-INIZCTEOSA-N 402.451 1.320 30 10 HDEE Cn1cc(C(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n(C)c1=O 1639782856 ONYWQRMNSDNDNL-BQBZGAKWSA-N 407.261 1.967 30 10 HDEE C=CCC1(CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CCCC1 1640592720 VOGQUPRVASBDQV-OAHLLOKOSA-N 405.520 1.940 30 10 HDEE C#CC[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1[C@@H](C)COC)C(=O)OC 1642410365 BMQYUUWBXMJFCB-HOCLYGCPSA-N 416.503 1.926 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc(OC)c(S(=O)(=O)Cc2cc(C)no2)c1)C(=O)OC 1642415060 KROHLJFKBSZHLD-OAHLLOKOSA-N 420.443 1.260 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)c1 1642625300 LFVFXRGZUNNBPB-YOEHRIQHSA-N 421.862 1.446 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)CCC(=O)N1CCN(c3ccccn3)CC1)C2 1643166768 FIYYULDQVDYSPA-HXUWFJFHSA-N 403.486 1.666 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C(=O)OC)C2CCCCC2)c1 1643203830 GCGWCIYYNFDRBZ-SFHVURJKSA-N 406.504 1.697 30 10 HDEE CCN1CCN(C2CN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)C2)CC1 1645365912 HDWIQIDABCYRDX-SFHVURJKSA-N 407.559 1.812 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1645726368 HKWCFMJJAUUNGR-GOSISDBHSA-N 402.476 1.787 30 10 HDEE C#CCN(CC(=O)NCCNc1ccc(C(=O)OCC)cn1)C(=O)OC(C)(C)C 1647969755 ASIPWCCKXBWKCO-UHFFFAOYSA-N 404.467 1.657 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1648859702 MHULLKYRBJMZBC-QGZVFWFLSA-N 419.547 1.709 30 10 HDEE C#CCNC(=O)CN1CC[C@@H](c2ccc(OC)c(F)c2)[C@@H](NC(=O)C(F)(F)F)C1 1654159567 SRTJFLKPUCVNJN-ZFWWWQNUSA-N 415.387 1.420 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 1654489892 VRGWGPIOQPMICR-SJUQETRFSA-N 418.538 1.520 30 10 HDEE C=CCCc1ccc(S(=O)(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)cc1 1654711049 NWBIQROJHHXUOW-HNNXBMFYSA-N 415.558 1.980 30 10 HDEE C=CCC1(O)CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 1660229746 JWKSURROJJMABY-NRFANRHFSA-N 414.506 1.364 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)N(C)[C@H](C)CC#N)c1ccccc1Br 1664378404 BUDPWCNPGFUZJK-MFKMUULPSA-N 404.286 1.732 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(C(=O)OC)cc2Br)CC1 1671634264 BCOIAVGADMFILZ-UHFFFAOYSA-N 415.309 1.612 30 10 HDEE CC#CC[C@@H](CO)NC(=O)NCCOc1ccc(I)cc1 1681965662 MMBCWKXFSPFBRB-ZDUSSCGKSA-N 402.232 1.744 30 10 HDEE Cc1[nH]c2ccc(F)cc2c1CCNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1683251349 OVSNFQRFDUWEKZ-UHFFFAOYSA-N 410.409 1.558 30 10 HDEE C#CCN(C(=O)NCc1nc(Cc2ccccc2F)no1)[C@@H]1CCS(=O)(=O)C1 1687589046 KDDZMBNKDKHHTC-CQSZACIVSA-N 406.439 1.131 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(C(C)(C)C)CC1 1689912994 FPMIVORKGOPKEZ-MRXNPFEDSA-N 410.588 1.612 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)Cc1ccc(F)cc1 1689966487 SVRLOQLPFYPQME-KRWDZBQOSA-N 419.526 1.521 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCC(=O)N[C@H](C)CC 1690043754 MRHBFYCZGNHDHP-MRXNPFEDSA-N 424.505 1.774 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1 1690063497 GAZPIHDFKRVICS-OAHLLOKOSA-N 401.492 1.087 30 10 HDEE C#CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1C[C@H]1C 1690101073 NIMWMBXEXPRGMP-CVEARBPZSA-N 416.551 1.980 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccc(C)c1 1690103867 IAFHPOYSKMZPBA-LJQANCHMSA-N 416.547 1.817 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCCc2c[nH]nc2C)CC1 1690154422 NTNNEKBKIWHMJD-UHFFFAOYSA-N 413.526 1.445 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNC(C)=O)C1 1690180321 CMDFTLKJXVIZHL-QGZVFWFLSA-N 418.567 1.119 30 10 HDEE C#CCSCCn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OCC)CCOC1 1690185614 BFYNSNWVEZPTSJ-IBGZPJMESA-N 417.539 1.217 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@@H](C)[C@H]1C 1690497396 OXOVPCAKUJYOEL-ZNMIVQPWSA-N 417.601 1.811 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1690749520 GQIRCADJPMAHEZ-LJQANCHMSA-N 420.539 1.351 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)N(C)C 1697285845 FHEXPOIZNQZPFX-CYBMUJFWSA-N 404.858 1.424 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c([C@@H]2CCOC2)nnc1N1CCC(F)(F)CC1 1698521034 YNABFFBDGKSDBA-BVFVFODLSA-N 422.436 1.544 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCCn1ccnc1C 1705477276 LRBPYTCXLRDICX-LSDHHAIUSA-N 407.544 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(OC)c2)n1CCN1CCCS1(=O)=O 1705482189 UPKUQGXWBJJBBL-HNNXBMFYSA-N 403.508 1.447 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1705549294 PETIQDADRDLCCU-INIZCTEOSA-N 405.510 1.854 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCNC(=O)c1cccc(OC)c1 1705554576 YSJIYWUYQUSJMF-UHFFFAOYSA-N 404.474 1.772 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCOC(C)C)[C@@H]1CCS(=O)(=O)C1 1705564783 COKNCACTFYIDHE-MRXNPFEDSA-N 418.523 1.177 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1Cc1c(CC)nn(C)c1OC 1705598572 LVYPHLRMPUHUDT-KRWDZBQOSA-N 410.522 1.988 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(OC)c(O)c2)CC1 1705639021 DJDLUGRQEXNQRZ-GOSISDBHSA-N 411.506 1.690 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1705807029 RKCCKBIALPUIDM-INIZCTEOSA-N 412.498 1.172 30 10 HDEE C=CCCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705821203 OGXVJMOWGTZEKE-KRWDZBQOSA-N 409.494 1.703 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1706068324 ICMLNUCBJWKLCF-FZKQIMNGSA-N 423.926 1.744 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1711236628 FMPMTYFNEMNHED-UHFFFAOYSA-N 400.464 1.258 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOCC2CCOCC2)cn1 1711247754 FDFSRPFSNPQTPI-FQEVSTJZSA-N 417.489 1.954 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2CCOC[C@@H]2C1 1712617299 ZLQQJOPTTKMRCE-IBGZPJMESA-N 412.494 1.001 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCN(C(=O)OC)CC1 1722274124 CJFIOLMNFPZZRP-OAHLLOKOSA-N 402.499 1.450 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1722410958 URRRETSULOQMCN-SFHVURJKSA-N 424.505 1.690 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCN2CCOC[C@@H]2C)CC1 1722436095 WODRNVOZGJONEG-IBGZPJMESA-N 424.549 1.430 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(CC)(CC)SC)CC1 1722436332 CZSVCKDZMZPJHN-MRXNPFEDSA-N 404.584 1.906 30 10 HDEE C=CCNC(=O)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C1CCC1 1722696504 ANWCGVLQNXPGRG-UHFFFAOYSA-N 417.539 1.529 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cnccn3)nnc2N(C)Cc2cccc(C#N)c2)C1=O 1729592552 KNHLKQWKYMRVDD-NRFANRHFSA-N 402.462 1.721 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H](C)N1CCOCC1 1730928738 AEFLBNNVTHLZNF-XSLAGTTESA-N 406.531 1.461 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN(C)C)c1 1740683917 GZMCEILYDQCASM-IBGZPJMESA-N 410.522 1.425 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2nccc(C(F)F)n2)CC1 1740695343 NVVATDBTRBRGHV-UHFFFAOYSA-N 411.420 1.266 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1740782152 FBYIEVLSZDOVCI-RBUKOAKNSA-N 416.570 1.881 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C(N)=O)nc1 1740926534 XOJKQUCOUFXQEC-UHFFFAOYSA-N 418.461 1.646 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(O)CCSC1 1748766708 VKKDSMCKVJOFMC-LJQANCHMSA-N 419.938 1.799 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)NCc1ccccc1 1748802733 SAIDOPLRGIEWFM-ICSRJNTNSA-N 411.506 1.778 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCO[C@H]1C 1748835429 BRMFLYLBKFBSOV-AOMKIAJQSA-N 410.474 1.575 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCCN1CCCO[C@H](C)C1 1748848926 YCZDDFKEOHFXSI-HXUWFJFHSA-N 406.534 1.838 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCOC2)n1C[C@]1(O)CCN(C)C1 1749590900 ISYCPCBKARDKRS-UTKZUKDTSA-N 401.511 1.677 30 10 HDEE C=CCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 1749634929 MSUPSQCSSZNAAX-IBGZPJMESA-N 423.565 1.973 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NS(C)(=O)=O)CC1 1760155868 MUYFJLASSXWTSX-UHFFFAOYSA-N 422.580 1.565 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(N(C)C)CCC1)[C@H]1CCS(=O)(=O)C1 1760183530 QSEQFHFIOFXDCK-INIZCTEOSA-N 407.584 1.687 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc2c(c1)OCCCO2 1760200838 UTRIECDAXSZYGO-UHFFFAOYSA-N 402.458 1.961 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)CCN1CCOCC1 1760284046 GCLNBUMBAZNTAI-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ncnn1C(C)(C)C 1760287486 UCSQNYZDFULPEI-OAQYLSRUSA-N 410.526 1.901 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2nnc(CC)s2)C1 1760550415 YCVKITPVHQQCKK-AWEZNQCLSA-N 417.539 1.644 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1764554091 AIJFAPOBJHOWGC-INIZCTEOSA-N 412.494 1.870 30 10 HDEE CCn1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)c1=O 1765344512 DCIYTAWPIHLMLN-JOCHJYFZSA-N 423.521 1.760 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCOC[C@@H]2CCOC2)CC1=O 1769070555 JJCOYPUMKIGEML-SFHVURJKSA-N 424.505 1.538 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H]4NC(=O)OC[C@H]4C3)n2CCCCCO)cc1 1770740049 HLMPEBJVABPAFA-MSOLQXFVSA-N 410.478 1.914 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1770787607 VVOYAOWQMYHRSP-PKOBYXMFSA-N 409.469 1.978 30 10 HDEE N#Cc1ccc(N2CCN(CCOCc3cn(Cc4ccccc4)nn3)CC2)nc1 1852727713 HKXPMYXPAOWMCO-UHFFFAOYSA-N 403.490 1.932 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)NC[C@@H]3CN4CCN3CC4)cc2)c1C(F)(F)F 1853061751 NKASPKSQLPDZGX-MRXNPFEDSA-N 404.396 1.492 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)COc2ccccc2Cl)C1=O)[C@@H]1CCN(C)C1=O 1853829554 WIKDCBVCHGKZGF-DLBZAZTESA-N 419.909 1.955 30 10 HDEE N#Cc1ccc(CN2CC[C@H](N3CCN(C(=O)CCn4ccnc4)C(=O)C3)C2)cc1 1854406850 XZFBLNPJATYSPT-FQEVSTJZSA-N 406.490 1.090 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccnc(Cl)c2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854642460 QJIHCOWJQHSGLC-GFCCVEGCSA-N 418.862 1.668 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN([C@@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1 1854942119 WOQDVPQQRPFCAI-SJLPKXTDSA-N 414.506 1.755 30 10 HDEE COc1ccc(F)cc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1855624433 AWGNVVVTMMCSIF-CQSZACIVSA-N 423.466 1.524 30 10 HDEE N#CCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC(C(F)(F)F)CC3)ccc21 1855845952 GBBKNYOIBAMSDF-UHFFFAOYSA-N 415.393 1.979 30 10 HDEE CN1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)CCC1=O 1855855167 ZLULDKTXVOSAGA-QGZVFWFLSA-N 402.882 1.701 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1CCC#N 1856197895 ASPNJXYRAQJDCE-IAGOWNOFSA-N 418.519 1.060 30 10 HDEE C=CCCC(=O)N1CCN([C@@H]2CCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1=O 1856696026 SGTFWNIQIFXKFQ-QGZVFWFLSA-N 405.520 1.395 30 10 HDEE CCn1cc(C(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)c(=O)c2ccc(C)nc21 1857369743 NYVZZEHLGWXXJN-SFHVURJKSA-N 407.474 1.702 30 10 HDEE N#Cc1ccc(N2CCN([C@@H]3CCN(C(=O)c4ncc(Cl)cn4)C3=O)CC2)cc1 1857440703 OXJIGDOEVQEWGY-QGZVFWFLSA-N 410.865 1.565 30 10 HDEE Cn1c(=O)oc2cc(S(=O)(=O)N(CCO)[C@H](C#N)c3ccc(F)cc3)ccc21 1857960072 DRKGBPPHEWUAGQ-MRXNPFEDSA-N 405.407 1.518 30 10 HDEE C[C@H]1c2ccc(C#N)n2CCN1C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 1866361755 HPRVWASLRJKKHQ-YJBOKZPZSA-N 423.473 1.823 30 10 HDEE CCN1CCN(C(=O)[C@H](C)NC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783259 PXCMJLMFUNXWMP-FUHWJXTLSA-N 417.579 1.694 30 10 HDEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870762468 ZQMKVVAIIGBQGD-UHFFFAOYSA-N 405.495 1.454 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cccnc3OC)CC2)CC1 1889303474 SSRHAXAEEWIZFV-UHFFFAOYSA-N 400.523 1.352 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)Nc1ncc(B2OC(C)(C)C(C)(C)O2)cn1 1908254500 OMVROOXGUGVVTP-JSGCOSHPSA-N 418.303 1.875 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@](C)(C(=O)N[C@@H](CCS)C(=O)O)C1 2059761507 YTBPXTOSFGSXFA-DOXZYTNZSA-N 410.492 1.692 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)COC1(C)C 2174780701 XGWUQLOPLOJCAE-ZIAGYGMSSA-N 402.517 1.428 30 10 HDEE C[C@H]1COC[C@@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)N1C(=O)OC(C)(C)C 2243675130 SBDKEXYDDDWNFD-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247835843 RKYYDLQUWGEKGI-OLZOCXBDSA-N 420.319 1.807 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247861152 GXMDEXMEPRTOKI-CYBMUJFWSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)NOCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1O 2248034368 YXYNFNBHIILPHA-UHFFFAOYSA-N 422.287 1.878 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2249999369 VEYGMJGMOYQFDL-HZPDHXFCSA-N 422.331 1.745 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@]1(O)[C@@H](N)C#Cc1ccc(Br)cc1 2264171286 AKBZMQMLGXKYTN-DAYGRLMNSA-N 411.296 1.783 30 10 HDEE CS[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267712977 JLJJMXZTBVHVSO-MNOVXSKESA-N 404.388 1.029 30 10 HDEE C[C@H]1CC[C@@H](C2OCCO2)N(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2282180651 VVOBWWGFLLJVOM-ZFWWWQNUSA-N 403.288 1.389 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCCN1C 2282320161 DSXVIGLWPMFYMD-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CCN(C[C@@H]1CCCN1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282330714 DAIVGWAGOVBKTR-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)O1 2282331937 UBANCHXMRKARBQ-LBPRGKRZSA-N 403.331 1.477 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)NCCSC(F)(F)F)c2)OC1(C)C 2282350182 JWXRXFRMHCROPZ-UHFFFAOYSA-N 412.264 1.912 30 10 HDEE CO[C@@H]1CCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282415886 NTDGQBRUWIEARL-DGCLKSJQSA-N 402.347 1.429 30 10 HDEE C[C@@H](CCO)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282494346 YMQHZMBFAHOWCY-GFCCVEGCSA-N 404.363 1.270 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H](O)C3CC3)ccc2Cl)OC1(C)C 2282498741 IVTNIHCZHAZABN-OAHLLOKOSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@H](O)C(F)F)OC1(C)C 2282504652 RXJGUIDLTDUHSS-LLVKDONJSA-N 411.301 1.483 30 10 HDEE C[C@H](CO)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506715 WLWFFYATKBNNKK-VXGBXAGGSA-N 403.737 1.934 30 10 HDEE CCN([C@H]1CCOC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282507828 MTJHQHRJWCXWIL-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2C[C@@H](N)C2(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282825229 IBUMOSTUGFRXHJ-NEPJUHHUSA-N 400.375 1.760 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CCCNCC1 2282843934 VAXPOXXSZKTPBX-CYBMUJFWSA-N 400.375 1.776 30 10 HDEE C[C@@H]1CCNC[C@@H]1N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852545 QITMNRXPJSXEBW-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CCN([C@@H]1CCCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282856018 MMHAXSKTGFIHHA-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC(C)[C@](C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2282857017 BHHGNTBEUXZONC-INIZCTEOSA-N 402.347 1.226 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2284054664 HDVGXKWJOJDXQI-UHFFFAOYSA-N 402.351 1.180 30 10 HDEE C[C@H]1SC[C@H](C(=O)O)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284406836 DCBFPOGBCOJAGO-MWLCHTKSSA-N 419.355 1.584 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCC(F)(F)C(=O)O)c2)OC1(C)C 2284406994 GCZHKFBSZCKWQP-UHFFFAOYSA-N 411.257 1.436 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@]2(C)CCC[C@@H]2O)OC1(C)C 2286914848 WBKSZWWDVSIPQJ-WMLDXEAASA-N 401.359 1.877 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1 2296624478 HOEKDGIMSQHFRO-LJQANCHMSA-N 410.474 1.780 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCO)n2N=Cc2cccc([N+](=O)[O-])c2)CC1=O 2329056117 ROGQFXRUKYHPJL-AWEZNQCLSA-N 418.479 1.877 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2362507511 HRCUWWIOEGNWIK-VXGBXAGGSA-N 400.331 1.138 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)CC(O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365201142 FPBYTODIESLHKI-NOKGALJISA-N 400.541 1.339 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCCN(C(=O)OC(C)(C)C)CC1 2367822943 XVSSIFCPBWXMGH-KXBFYZLASA-N 400.541 1.307 30 10 HDEE N#Cc1cccnc1N1CCN(CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)CC1 105326724 DIMSSGCAQNEMKW-QHCPKHFHSA-N 416.485 1.512 30 10 HDEE COC(=O)[C@@]1(NS(=O)(=O)c2ccc(C#N)c(Br)c2)CCSC1 433884238 UDIYNMVOGOEDAA-CYBMUJFWSA-N 405.295 1.648 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccc(F)cc3C)cc2O)CC1 434231071 KLFNXIQQQUWLPH-UHFFFAOYSA-N 401.442 1.085 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@]3(C2)NC(=O)NC3=O)n(-c2ccccc2)c1C 434793726 ISWMZYHJLGMBRY-JOCHJYFZSA-N 420.473 1.578 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CCN(c4cc(C)nn4C)C3=O)cc2C1=O 464118997 IBXFUPUQYPVXAN-MRXNPFEDSA-N 407.430 1.046 30 10 HDEE CO[C@]1(C)C[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 466678195 SAWDADBELZGVRI-YLJYHZDGSA-N 420.535 1.778 30 10 HDEE COC(=O)[C@H]1CCC[C@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 468212150 NCCBXDIQBPBNPX-HOTGVXAUSA-N 419.503 1.371 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccn1 474213930 ZVKFVSWKJAODIF-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@H](C(=O)OC)C[C@H]3C(=O)OC)cc2C1=O 504885118 IUHOPSHOCIDVKB-BBRMVZONSA-N 414.414 1.035 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(C(=O)c4cccc(CC#N)c4)CC3)C2=O)n(C)n1 505812558 OHNFFZMBYJFANW-HXUWFJFHSA-N 420.517 1.748 30 10 HDEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 515253538 HESQYFCHNHIQRZ-HUUCEWRRSA-N 406.508 1.237 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@H](NC(N)=O)C1 535713937 ZHVSVVQHLDOXKO-NSHDSACASA-N 411.256 1.367 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(=O)n(CCN(C)C)c2)cc1 536006590 GOEXBFWJDSMAND-UHFFFAOYSA-N 404.492 1.127 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)N1CCN(c2nccc(OC)n2)CC1 542419728 MUFWIBNDPBHXFI-UHFFFAOYSA-N 412.450 1.736 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(C)C1(C#N)CCC1 581214089 CXZZQSQHVZPXEI-UHFFFAOYSA-N 420.535 1.540 30 10 HDEE N#Cc1cccc(CS(=O)(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 584071091 OPSQCZMDJXXBEJ-MSOLQXFVSA-N 411.483 1.897 30 10 HDEE COc1ccc(CN(CCO)c2c(O)nc(=O)n(Cc3ccccc3)c2N)cc1C#N 610993793 BMAVLJVVADSATR-UHFFFAOYSA-N 421.457 1.459 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3oc(C4CC4)nc3C#N)CC2)c1 611089721 JBTLKNGFKDHKIP-UHFFFAOYSA-N 411.487 1.891 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cn2)cc1 612548464 QVCLHXRFEIDWPS-QGZVFWFLSA-N 407.430 1.227 30 10 HDEE C=C(C)Cn1c(-c2cc(C)oc2C)nnc1N1CCN(S(=O)(=O)N(C)C)CC1 670220344 UEQGNHCXJMLLPE-UHFFFAOYSA-N 408.528 1.659 30 10 HDEE C=CCOCCNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 685792541 LNNICPLKEWFAJJ-YRYYUTHUSA-N 406.482 1.785 30 10 HDEE CNC(=O)CN1C(=O)[C@H](CC(=O)Nc2cnccn2)SC1=Nc1ccccc1C 730709256 QONREZZYPMYUFP-AWEZNQCLSA-N 412.475 1.491 30 10 HDEE CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732465042 CTAYVUVJPBSFIJ-HNENSFHCSA-N 421.448 1.564 30 10 HDEE N#C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732650617 ZTBHKHZDXSPIMO-GOSISDBHSA-N 402.520 1.674 30 10 HDEE C#CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 744366268 KDJIWPRHCNBUDB-UHFFFAOYSA-N 423.966 1.908 30 10 HDEE Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)CCN/C(O)=C1\N=CC=CC1=O 746200733 CAYOWDJEGNFAON-LZICOFPGSA-N 414.487 1.752 30 10 HDEE COc1ccc(COC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C#N 747065209 UKOPUTFPXZCTDZ-UHFFFAOYSA-N 419.415 1.839 30 10 HDEE C[C@@H](CC#N)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 751392308 GLBJHVOWKLCNQR-NSHDSACASA-N 416.297 1.502 30 10 HDEE C#CCN(C(=O)Nc1nc(-c2cccc(OC)c2)ns1)[C@@H]1CCS(=O)(=O)C1 757947026 FXNHKORUHYCUPC-CYBMUJFWSA-N 406.489 1.868 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)CC1 758073426 JYZBMOLIFHIHIC-UHFFFAOYSA-N 404.471 1.796 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CCCN(C(=O)c3ccncc3)C2)CCCCC1 760401152 SVSUJNMKNSCRMG-QGZVFWFLSA-N 418.519 1.854 30 10 HDEE COc1ccc(S(=O)(=O)N(CCC#N)CC2CC2)c(NS(=O)(=O)C(F)F)c1 761519448 XEKWQAYVSQDMMW-UHFFFAOYSA-N 423.463 1.974 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@H]2O 768470249 LBYTZAKERYWDIZ-SJKOYZFVSA-N 401.444 1.680 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)cn1 772297623 CLELZETZKKIGRU-UHFFFAOYSA-N 414.556 1.832 30 10 HDEE C#CCN(C(=O)NC[C@H](Cc1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 774171522 PPDPQFYPEMYQNB-UXHICEINSA-N 405.564 1.771 30 10 HDEE C#CCN(C(=O)NCc1ccccc1OCC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 774180431 RNOAQQUNDSENAE-CQSZACIVSA-N 404.410 1.960 30 10 HDEE C=CCN(C(=O)CCOC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 776899442 FKQXGVKDVMJXEV-CQSZACIVSA-N 402.513 1.214 30 10 HDEE CN(C(=O)COC(=O)[C@@]1(NC(=O)OCc2ccccc2)CCOC1)C(C)(C)C#N 780257517 ZJPCESROACRXGR-HXUWFJFHSA-N 403.435 1.376 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 783018377 RZYUFVRDXJVZOO-SJORKVTESA-N 423.558 1.452 30 10 HDEE C[C@@H](OC(=O)c1cc2c(cc1Br)NC(=O)CO2)C(=O)NC1(C#N)CCC1 787781346 VVBYZDBEIAYJOC-SECBINFHSA-N 422.235 1.888 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(Br)c(=O)n(C)c2)n1 788635285 RDBXJFRFQWZESF-UHFFFAOYSA-N 422.283 1.658 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2ccc(Br)o2)n1 788820602 XSKNWIMCIYQSBG-UHFFFAOYSA-N 423.267 1.277 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(CC[S@](C)=O)CC2)CCCN1C(=O)OC(C)(C)C 790664461 RNYGXLGUZVFURC-MMTVBGGISA-N 413.584 1.855 30 10 HDEE CC(C)=CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N\CCc1ccccn1 790704896 GGIHTJRWFUVYCZ-YQMDHOPXSA-N 417.579 1.958 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 802409019 MXMKOWRBGNGRLL-SFHVURJKSA-N 407.478 1.552 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)C[C@](C)(c3ccc(F)cc3)C2=O)n1 811770134 MRJSWKJULOBFDG-JOCHJYFZSA-N 412.465 1.778 30 10 HDEE CCc1noc(C[C@@]2(O)CCCN(S(=O)(=O)Cc3ccc(F)cc3C#N)C2)n1 856588858 ICSNLIBARPIEKF-SFHVURJKSA-N 408.455 1.542 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)Oc2ccccc2)n[nH]1 1084414305 BFTKNWASXRUONF-UHFFFAOYSA-N 415.479 1.754 30 10 HDEE N#CC1(CC(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CCOCC1 1124137850 AJHQPIVEWHWEKH-UHFFFAOYSA-N 401.448 1.926 30 10 HDEE C=CCN(C(=O)[C@@H]1CO[C@@H](CCC(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1125883412 FFZPWMMCMQQMNM-XHSDSOJGSA-N 401.525 1.715 30 10 HDEE CCc1ccc(C(=O)Nc2nn(C)c(C)c2C#N)cc1S(=O)(=O)N1CCOCC1 1130388594 QXSIHCHCSLUELV-UHFFFAOYSA-N 417.491 1.436 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)c3ccc(C#N)c(Cl)n3)nn2)C1 1133300524 FLENAPIDWVIGKB-UHFFFAOYSA-N 417.857 1.920 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)CCC(=O)N(CCC#N)c1ccccc1 1133409710 ZNKDWZQKFUGZJE-QZTJIDSGSA-N 401.463 1.940 30 10 HDEE CC(C)(C)OC(=O)COc1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1136672786 YZKWXBZNSCXTDL-CZIZESTLSA-N 415.446 1.663 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1136764015 MWIOJPZOVLAUOS-MRXNPFEDSA-N 413.540 1.177 30 10 HDEE N#Cc1ccc(OCc2ccc(C(=O)N3CCO[C@@H](CN4CCOCC4)C3)o2)cc1 1149726683 VSNKCILEQFYNAP-FQEVSTJZSA-N 411.458 1.903 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1 1154541944 VPDQXEPIPUANDZ-YCRPNKLZSA-N 413.499 1.527 30 10 HDEE C=CCN(C)CCN(CC)C(=O)c1cc(S(=O)(=O)NC)ccc1Br 1156668530 SDSCUYBGWWRJSU-UHFFFAOYSA-N 418.357 1.937 30 10 HDEE CCN1[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C[C@H]1C 1163885624 VFHBBJWXAPTGHI-CALCHBBNSA-N 418.563 1.900 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCc4ccnc(N)c4C3)C2=O)cc1 1170259739 VIEOOZWODLRGKI-KRWDZBQOSA-N 404.430 1.325 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCC2(CCOCC2)O1 1179551094 CBONULZFSQHTHP-GDBMZVCRSA-N 407.492 1.069 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cc(C(=O)OC)cc(C(=O)OC)c1)C(=O)OCC 1190402710 PEOMXKSZNDHOAE-HNNXBMFYSA-N 413.448 1.436 30 10 HDEE CCn1cc([C@@H]2C[S@](=O)CCN2CC#CCN2C(=O)c3ccccc3C2=O)cn1 1193963318 MUEUVKRHTADTSL-ADXZGYQBSA-N 410.499 1.308 30 10 HDEE CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)Nc1cc(C#N)c(F)cc1F 1219883416 GENOEHAAUJZZOH-UHFFFAOYSA-N 424.429 1.771 30 10 HDEE C#CC1(O)CCN(C(=O)NCCCN(C2CC2)S(=O)(=O)c2cccc(F)c2)CC1 1231244991 XFEHSCUCESNRJJ-UHFFFAOYSA-N 423.510 1.539 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCn2ncc(I)c2C1 1252077559 ZXZADVIMOPVOTP-GWCFXTLKSA-N 402.236 1.604 30 10 HDEE CN(C)CC#CCNC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1254887324 ZJGWTCHNPOYAFI-QGZVFWFLSA-N 408.543 1.657 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H]2CC=CCO2)CC1 1286484121 IJYDDPSJWVQBHC-OAQYLSRUSA-N 423.517 1.966 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCSCC=C)CC1 1286490565 NBKHNEZQVYXLLH-MRXNPFEDSA-N 416.551 1.114 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1286503614 IMIJRSWOFAUSCT-UHFFFAOYSA-N 410.507 1.226 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCC(N2CCCNC2=O)CC1 1286612811 KAYYWQDUHKPTRJ-UHFFFAOYSA-N 406.531 1.791 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1C[C@H]1CCC2(C1)OCCO2 1286767675 DBDKXKWCNXNNFC-INIZCTEOSA-N 400.483 1.917 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1286776628 NHAHELKADJCSMU-UHFFFAOYSA-N 412.498 1.020 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1286780838 JDSYDQWBWXMOIX-KRWDZBQOSA-N 414.554 1.836 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccco1 1286788452 WQOSZLHHDMMLCX-HUUCEWRRSA-N 419.507 1.417 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H]2CCS(=O)(=O)C2)C1 1286809517 TZYYSSRVNOAZFB-IAGOWNOFSA-N 417.535 1.865 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1286963471 RKBGBBMWIHNZGY-CJNGLKHVSA-N 406.450 1.401 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCSCCCO 1288520900 WLYGEUCGPFYPFX-CYBMUJFWSA-N 406.512 1.860 30 10 HDEE CCCCC[C@@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 1294496327 NJECCTWYNHBAAS-OAHLLOKOSA-N 409.508 1.743 30 10 HDEE CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1COCCO1 1295652941 GFSGEYKNGNJSTA-IBGZPJMESA-N 407.478 1.992 30 10 HDEE CNC(=O)CCn1c(N2CCN(c3nccnc3C#N)C[C@H]2C)nnc1C(C)(C)C 1299262472 FOOOEUZONGQDKS-CQSZACIVSA-N 411.514 1.088 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CCC)nc1C 1300307292 DJPWZBWKGFISMD-HIFRSBDPSA-N 405.524 1.935 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(C)=O)C1 1300364705 LVGUXDMHSWJAPP-SJORKVTESA-N 407.540 1.089 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccc(F)cc1 1300430977 RCKHHEGTWZRQFQ-UGSOOPFHSA-N 409.487 1.005 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2OC)n1CC1(C(N)=O)CCOCC1 1300448771 FZIXWHCPKJVUTP-UHFFFAOYSA-N 413.478 1.314 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N1CCOCC1 1300459196 ZDOFTEFSSTVPJS-HOTGVXAUSA-N 414.535 1.434 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300497533 ZTMUWPCJSVNOQZ-ZACQAIPSSA-N 409.556 1.097 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC 1300641110 BOWKHHMGLYTCGA-HZPDHXFCSA-N 411.572 1.596 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1300761216 JHVSAVRAGYHXEJ-HNNXBMFYSA-N 412.581 1.552 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1300889463 QMZHVZMFNGDVSC-HBFSDRIKSA-N 405.543 1.799 30 10 HDEE COC[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1301262240 GEKVTRVECXSCMU-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE C=CCN(CCOC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(O)CC1 1301422224 CRUPNBOSUZPUPD-UHFFFAOYSA-N 420.539 1.402 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1301556439 HMYSLTGBCNRFAW-JKSUJKDBSA-N 410.540 1.267 30 10 HDEE N#Cc1ccc(NCC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)nc1 1301560504 DYPJRBHFCSJWQC-UHFFFAOYSA-N 407.478 1.398 30 10 HDEE CC(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCO[C@H](C#N)C1)N1CCOCC1 1302517715 BFVQJUIPBXYXTI-MJGOQNOKSA-N 413.526 1.369 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1302585039 BJXOTMNWZOKUCO-UHFFFAOYSA-N 408.480 1.677 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC[C@H]2CCOC2)cc1 1302991608 JRCQHGIUFWSLNJ-INIZCTEOSA-N 401.492 1.478 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCC2(F)F)CCO1 1303008881 BSXDDYXTUOQXDQ-CABCVRRESA-N 408.453 1.955 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)CCOC1 1303491088 YTPXNXQOOVATNC-GOSISDBHSA-N 411.528 1.103 30 10 HDEE C=CCN(C[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 1307537925 NSUSIPGXIYKKRE-FPOVZHCZSA-N 422.547 1.825 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N(C)C1CCOCC1 1309854154 LJFQDLFSOJDTMJ-UHFFFAOYSA-N 415.556 1.677 30 10 HDEE COCCOCCN1CCN(C(=O)NC2CCN(c3ccccc3C#N)CC2)CC1 1313107254 GZUXEGSRHXRIRX-UHFFFAOYSA-N 415.538 1.517 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)N2CCN(CC)CC2)c1 1353305856 ZACOYYPEEDPAHF-OALUTQOASA-N 407.536 1.933 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)Cn2ncc3cccnc32)cc1 1355746380 UHHWZIKGJCFGEY-HAVVHWLPSA-N 412.475 1.883 30 10 HDEE C=C[C@@H](CC)CC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 1355871910 XVMAPTZDTGHUKU-DZGCQCFKSA-N 400.522 1.693 30 10 HDEE CN(CCc1ccccn1)C(=O)CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C 1358496680 JSDKCBRKZQXMNG-QGZVFWFLSA-N 417.510 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(C(N)=O)CCCC1 1358874563 YTHFXGOUNWVHFL-KKSFZXQISA-N 403.527 1.822 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1C1OCCO1)[C@@H]1CCS(=O)(=O)C1 1358957761 ZUFMLABJAJVWDK-QGZVFWFLSA-N 416.503 1.307 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1CC2(CCOCC2)C1 1358969361 NSFFXPKBJWSZOP-INIZCTEOSA-N 419.551 1.168 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C)CNC(=O)OC(C)(C)C 1359008771 ZVUMZJBQSIYSES-CABCVRRESA-N 404.515 1.850 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](CC)N1CCCC1 1359024802 WHZYIGIULRONNC-MSOLQXFVSA-N 423.583 1.141 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CC(C)(C)CN(C)C)CC1 1359043331 QFYOJJDPXCDFCG-UHFFFAOYSA-N 423.565 1.894 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C)CCC1 1359070399 LVZDGASJGRVJEG-OXJNMPFZSA-N 421.567 1.793 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1359158055 CXFQTNBZMIZRPT-HNNXBMFYSA-N 409.494 1.997 30 10 HDEE C=CCCOCCn1c(Cc2ccncc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359228419 CFUNBFNRUFQHGN-GOSISDBHSA-N 411.510 1.413 30 10 HDEE C=CCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359230041 COFWNMVCLNVAQO-DFEOGRTESA-N 419.526 1.310 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1359250524 MWFNPGMAFRXPQR-WBVHZDCISA-N 409.556 1.956 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1359291991 GGBZDHWLNQKSAT-RTBURBONSA-N 417.602 1.699 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)[C@@]3(C#N)CCCOC3)c2)CC1 1359867090 KKERJQTVBKUJNI-LJQANCHMSA-N 406.508 1.272 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)c1cn(C)nc1I 1434953714 KDMQRRPRJMLJHW-UHFFFAOYSA-N 408.199 1.640 30 10 HDEE CO[C@@]1(C(=O)Oc2ccc(C#N)cc2I)CCS(=O)(=O)C1 1436074539 UYZBWDMUMBSGBY-ZDUSSCGKSA-N 421.212 1.272 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 1440325156 CZJKOGHVTDBMFI-MRXNPFEDSA-N 414.462 1.984 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3coc(C#N)c3)CC2)c1 1440643128 BNUJJGFWXHMMAH-UHFFFAOYSA-N 405.432 1.315 30 10 HDEE C/C(=C\C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)CN1CCOCC1 1441670004 WBVQKNPSYNNAPC-HVUHPZEJSA-N 420.535 1.716 30 10 HDEE C=CCN(C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1)[C@@H]1CCS(=O)(=O)C1 1456085083 KMFWNQUPIPUOPZ-IAGOWNOFSA-N 400.504 1.709 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1nn(C)cc1I 1460187544 DHPGNVNDWGBBMV-JTQLQIEISA-N 410.215 1.980 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@@H](C)c2ccc(-n3cccn3)c(F)c2)C1=O 1460356005 GONHYBQUGUUQNO-LBPRGKRZSA-N 400.366 1.592 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCN1C(=O)COc2cc(Br)ccc21 1462272475 NVUCXQKRNWLIJC-UHFFFAOYSA-N 424.251 1.480 30 10 HDEE Cc1cc(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cc(S(C)(=O)=O)c1 1462377800 LNVFXGYFUOMESR-UHFFFAOYSA-N 407.473 1.076 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1463163136 KUILYOAYRWOQIL-YNZJMPHRSA-N 418.441 1.563 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1468484657 YERPRTIIXCCCEA-GOSISDBHSA-N 419.547 1.575 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)c(C)c2)C2CC2)CC1 1469448237 KTFYERPVHQNSOM-SFHVURJKSA-N 408.499 1.380 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(c3n[nH]c(C)n3)CC2)CCCN1C(=O)OC(C)(C)C 1469705704 JNSXZNXUBOKGPJ-FQEVSTJZSA-N 402.499 1.555 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCC(N2CC[C@H](O)C2)CC1 1470284939 GHAIAWAKMMHKHN-AWEZNQCLSA-N 408.296 1.757 30 10 HDEE COCCN(CCC#N)c1nnc(CN2CCCC2=O)n1C[C@H]1CCO[C@@H](C)C1 1504886189 ACEOZCYDXIDJDF-IRXDYDNUSA-N 404.515 1.582 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CCCn2ccnn2)c1 1505313749 FUOPHRRJROAFRC-QGZVFWFLSA-N 419.493 1.590 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc3cccnc23)n1CCNS(=O)(=O)CC 1507646861 JMXBYQGHIXBUTH-UHFFFAOYSA-N 422.514 1.505 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1Cc1nnc2n1CCC2 1507656535 XWJXCEJBHLNJFA-UHFFFAOYSA-N 405.437 1.655 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CS(C)(=O)=O)c1 1507677540 ATQSXWLCGCEJKP-UHFFFAOYSA-N 417.535 1.469 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCC=C)CC1 1507735720 FWZLJQPILXRWMX-QFIPXVFZSA-N 415.538 1.862 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1507961527 AWFBYWMGXWUFGV-RDJZCZTQSA-N 416.526 1.317 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC(=O)NCC1CC1 1507978456 MYZYCHHFXMJKCB-UHFFFAOYSA-N 417.539 1.387 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](OC)C(C)(C)C1 1508078838 KCJIBCWRKUYFOD-KRWDZBQOSA-N 413.478 1.837 30 10 HDEE CN(C)Cc1cccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)c1 1517011832 CLHDQXLKQDXSFH-IBGZPJMESA-N 423.521 1.239 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC(C)(C)OC 1519446870 HSCPVXVKEIGFFA-JQHSSLGASA-N 418.542 1.604 30 10 HDEE C#CCOc1ccc(NC(=O)c2ccccc2S(=O)(=O)CCS(C)(=O)=O)cc1 1529312987 NXZRRANGZZCSPC-UHFFFAOYSA-N 421.496 1.769 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@H]1C1CC1 1530715021 MZKHCSBNSJLRTJ-DLBZAZTESA-N 405.476 1.150 30 10 HDEE C#CCN(CCOC)c1nnc(CC(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1539417937 ZYOPLPCERJIWRE-MRXNPFEDSA-N 417.476 1.826 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCn2cc(Cl)cn2)CC1 1539446530 FIWZELUUEXWSAQ-KRWDZBQOSA-N 403.918 1.825 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@](C)(O)C2CC2)CC1 1539453707 CGBFDNOZQJNOLU-HSZRJFAPSA-N 409.534 1.816 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1539496455 GCQGXDGXKCQLHB-JYJNAYRXSA-N 407.540 1.083 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCCc2c1cnn2C 1539513296 IEZJJWAWVLEWKF-HZPDHXFCSA-N 413.551 1.843 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cc[nH]n1 1539645466 OJKQNQASZIWSQV-UHFFFAOYSA-N 400.487 1.070 30 10 HDEE O=C(C#Cc1ccccc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1540602146 DXXLZDZBBUNWSL-UHFFFAOYSA-N 412.467 1.342 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2CCCO)C1 1540888964 BLGPHKZTTYMPAJ-MSOLQXFVSA-N 400.527 1.901 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@H]2CCOC2)CC1 1540902159 BUERAWLQTWBJGX-QZTJIDSGSA-N 424.567 1.636 30 10 HDEE Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N1CCN(c3nccnc3C#N)C[C@@H]1C)C2 1544572689 VGCXHKMHVJSLIB-NYHFZMIOSA-N 405.458 1.866 30 10 HDEE CNc1cc(I)ccc1C(=O)N1CCN(C(=O)CC#N)CC1 1545534866 VCIPPDAGCUKJKI-UHFFFAOYSA-N 412.231 1.531 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCCO)CC1 1545667282 QCFWSNXVWVHYCH-OAHLLOKOSA-N 417.934 1.760 30 10 HDEE COC[C@H]1CCCCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnn(C)n2)C1 1555333909 IEIPQEHBRODWST-INIZCTEOSA-N 407.482 1.641 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1555988379 ZCBBAQIDWLGGST-KRWDZBQOSA-N 418.461 1.545 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)s1 1556220878 RVTUTXWRCOLZNJ-AWEZNQCLSA-N 415.581 1.059 30 10 HDEE C#CC[C@@H](NC(=O)COc1c(Br)cc(C#N)cc1OCC)C(=O)OC 1556971389 XCHIQXMJGGDAQC-CYBMUJFWSA-N 409.236 1.779 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@H]1N(C(=O)CCN/C(O)=C1\N=CC=CC1=O)C2 1558066853 YNWHFQQHDITLME-BLXZNTKFSA-N 418.494 1.807 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(C(=O)OC(C)C)CC2)s1 1558415266 HZWPKRANURKBBD-UHFFFAOYSA-N 414.549 1.945 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)NC)CC1 1558460105 OOJACYBMMRILPJ-AWEZNQCLSA-N 402.923 1.303 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CNC2(C(=O)OC(C)(C)C)CCOCC2)c1 1560023708 JBMATQMAFDRVEL-UHFFFAOYSA-N 401.463 1.797 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)CC1 1562065059 IEFXVZOWXBMPCI-UHFFFAOYSA-N 407.540 1.222 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)CC1 1563555575 AAODTIKYXVGFOK-UHFFFAOYSA-N 405.495 1.775 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1564531361 RNNHGONQXPIUGR-SQNIBIBYSA-N 413.478 1.992 30 10 HDEE C=CCn1cc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CCC2(F)F)nn1 1564765437 JPXBXHVUJKYOLZ-ZDUSSCGKSA-N 400.430 1.908 30 10 HDEE C=C(C)CONC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1565008196 GTBDINLRFXEFOE-UHFFFAOYSA-N 411.480 1.387 30 10 HDEE CN(C(=O)CCCC(=O)Nc1ccccc1C#N)C1CCN(S(C)(=O)=O)CC1 1566379088 HSVHQPDXRVHZGC-UHFFFAOYSA-N 406.508 1.549 30 10 HDEE CN(CCN(C)C(=O)Cc1ccccc1CC#N)CCN1C(=O)c2ccccc2C1=O 1569932049 FRAPRGSRQNKYRI-UHFFFAOYSA-N 418.497 1.982 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N[C@@H]3C[C@@H]4CCCCN4C3=O)C2=O)cc1 1584376976 ZIOBKUOODFDOSO-GVDBMIGSSA-N 409.446 1.033 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)CC1 1585070809 BVMSJRAEKJVZIM-LJQANCHMSA-N 405.539 1.695 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(=O)NC)cc2OC)c1 1585097889 PICSUYSIWNBSGB-UHFFFAOYSA-N 401.444 1.219 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@H](C#N)c2ccccc2Br)C1=O 1586862531 JIBYWMQYOMIOIN-TZMCWYRMSA-N 408.252 1.542 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCN1CCOCC1(C)C 1587567967 LTWNCGLATZBKJO-UTKZUKDTSA-N 405.543 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@@H](C)CCC 1587639132 KJKCRHQGJCWAHH-HRCADAONSA-N 409.556 1.191 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCN(c2ccncc2)CC1 1587969862 ISVFCYHXCQDBFA-UHFFFAOYSA-N 404.522 1.950 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@@H]1CCCS(=O)(=O)C1 1588117458 INPGUNMAOMWLGR-INIZCTEOSA-N 400.479 1.982 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCSCC=C)CC1 1588750072 BKNJFHFSAQEDPG-FQEVSTJZSA-N 405.568 1.605 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(C)C)nnc1N1CCN(CC(=O)NC2CC2)CC1 1589482178 HBKVOSZRAMQNEB-PXNSSMCTSA-N 416.570 1.783 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)[C@@H]1CC 1595507141 XPHWNFCPOWRNEP-HNNXBMFYSA-N 420.876 1.755 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2C)C1 1595790454 MFAJUBQAEKPZOO-SFHVURJKSA-N 403.548 1.997 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ncccc1Cl 1596821609 DQTNIUGRTUVSSO-JSGCOSHPSA-N 403.874 1.952 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1597372163 MPYYEAMGQUJKCI-DOXZYTNZSA-N 411.524 1.563 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)c1cnn(CC2CCC2)c1)c1cc[nH]n1 1606671314 CUIRBJJADZYGBQ-CYBMUJFWSA-N 402.455 1.568 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CC2=O)cc1 1611186364 HDNRYZLHFNQVAE-PDOIAVGCSA-N 401.488 1.383 30 10 HDEE N#C[C@]12CN(C(=O)C(F)(F)c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1616337081 VIKUBAPEHKGPNG-SMDDNHRTSA-N 419.247 1.938 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1)[C@H]1CCCO1 1616964788 VJWKVHYVTWNPMO-BTHPGYMESA-N 420.531 1.231 30 10 HDEE CN(C)C(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1617613397 FFDOHXHGKOFVEW-KRWDZBQOSA-N 424.509 1.201 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)C[C@@]2(C)CCS(=O)(=O)N2)C1=O 1618550436 DUQMPXACNOVOHC-SJORKVTESA-N 402.517 1.161 30 10 HDEE COC[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C1 1619712121 GXFOQBLZNQIWTN-QGZVFWFLSA-N 422.493 1.464 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CCCNC(=O)C2CCC2)CCO1 1620356051 RBGBXCPUJIEEBB-GOSISDBHSA-N 409.494 1.299 30 10 HDEE CS(=O)(=O)c1ccc([C@H](O)CN2CCN(c3ccc(F)cc3C#N)CC2)cc1 1620507227 DNBYFFKHAFTEEF-HXUWFJFHSA-N 403.479 1.956 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)CC1 1624727943 MPCNELSUIXPLSO-UHFFFAOYSA-N 406.421 1.924 30 10 HDEE C#C[C@](C)(CC)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1627870816 PETYLJNLZBGGHM-LJQANCHMSA-N 409.483 1.210 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CC(=O)N(CCC#N)CCN1CCOCC1)C(F)F 1631463234 FYYJJJWQCNSKGZ-CQSZACIVSA-N 404.458 1.609 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)Cc1ccc(Br)cc1C#N 1631740793 MQKFMWBUJKCUJG-WFASDCNBSA-N 414.325 1.697 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccccc2NC(=O)Cc2cccs2)c(=O)nc1O 1633093832 DURUOHODNLYPBO-UHFFFAOYSA-N 409.427 1.702 30 10 HDEE C=CCOC[C@H](NC(=O)c1ccc(I)cc1OC)C(=O)OC 1634063947 TYSAXSDPDVDKBC-LBPRGKRZSA-N 419.215 1.774 30 10 HDEE COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)[C@@H]2C1 1634187731 FJWICXWOGAKMGF-CGHHPOIWSA-N 410.474 1.941 30 10 HDEE N#C[C@]12CN(C(=O)NCc3ccc(F)cc3Br)C[C@H]1CS(=O)(=O)C2 1634489319 NCANRZSQZXGXJB-XHDPSFHLSA-N 416.272 1.668 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1 1636338534 QGRZPHQABCXYCO-STQMWFEESA-N 409.936 1.420 30 10 HDEE CC1(c2cccc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c2)OCCO1 1637943418 BHITXUAVPXYJTM-UHFFFAOYSA-N 415.471 1.372 30 10 HDEE N#Cc1cn(CC(=O)N(CCCOc2ccccc2)C2CCOCC2)c(=O)nc1O 1638025746 LNKXPOHIOMCPFW-UHFFFAOYSA-N 412.446 1.297 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 1638126099 CYYROOIPYZYZEP-RBSFLKMASA-N 400.483 1.689 30 10 HDEE C#CC[C@H]1CCN(C(=O)NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1638339790 BUBUNSABNPMLSF-JKSUJKDBSA-N 413.540 1.465 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3cc(N4CCNC(=O)C4)ccn3)C2)nc1 1638911999 ZWSCRBXKMSEZBE-MRXNPFEDSA-N 405.462 1.001 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2N)C1 1639270327 UQWMMSIJFCOLBW-QGZVFWFLSA-N 413.503 1.156 30 10 HDEE C=C(Cl)C[C@H](NC(=O)Cc1c(C)nc(-c2ncccn2)nc1O)C(=O)OCC 1642682489 CEMAKSKOTOSKDB-ZDUSSCGKSA-N 405.842 1.681 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CNC(=O)NC)s1 1642761904 FBCOCGMONGOJJZ-CYBMUJFWSA-N 414.553 1.065 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 1644620714 SOKCUPDJSGKMND-UHFFFAOYSA-N 411.506 1.673 30 10 HDEE Cc1sc2ncnc(SCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)c2c1C 1645992169 YQFZMYOJLATQCU-YVEFUNNKSA-N 422.557 1.797 30 10 HDEE C#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c(Cl)c1 1645997546 CXTPFLRLFWFLSP-ZDUSSCGKSA-N 417.874 1.960 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(F)cc3)CCO2)cc1 1647999075 YHBVRJRAEUVFTD-GOSISDBHSA-N 403.435 1.576 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cc2)[C@@H]([C@@H]2CCCO2)C1 1648399402 HEVOIKMVXXGHHR-QRQLOZEOSA-N 406.504 1.765 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)C1 1650834204 YQVDRUBXTYROCB-WBMJQRKESA-N 406.280 1.882 30 10 HDEE C#CC1(F)CN(C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2N2CCOCC2)C1 1651204030 RMOVWUUIDCDVAD-UHFFFAOYSA-N 423.510 1.351 30 10 HDEE Cn1nc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1C(F)(F)F 1653490319 FUFLGXOOOYWFOY-UHFFFAOYSA-N 400.382 1.542 30 10 HDEE CCOC(=O)[C@@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)CC12COC2 1655522165 RGXUWTPUTPOJCJ-KRWDZBQOSA-N 424.419 1.685 30 10 HDEE CS(=O)(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1C(F)(F)F 1659408817 LAXZZOVNIGMVPB-ZIAGYGMSSA-N 410.439 1.239 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)CC1 1660016592 KWXJLPDZXPUYKS-UXHICEINSA-N 413.522 1.636 30 10 HDEE CNC(=O)N[C@@H]1CCCN(S(=O)(=O)c2cc(Br)ccc2C#N)C1 1664223188 BABKXUOCZPGYAB-GFCCVEGCSA-N 401.286 1.403 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3ccco3)cc2F)CC1 1669304699 ATIIJZRRWKLQLM-UHFFFAOYSA-N 406.439 1.703 30 10 HDEE N#C[C@@]12CN(C(=O)NCc3cc(F)ccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1674801760 KGBJXDXSTBIZNN-ZBEGNZNMSA-N 403.382 1.507 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCCN4CCSC[C@@H]34)C2=O)cc1 1682021220 BVTCAJFSJRNJNV-QYZOEREBSA-N 413.547 1.538 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1689937007 LOBOHMNFTYYERG-RTBURBONSA-N 414.554 1.361 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccsc1)[C@H]1CCS(=O)(=O)C1 1689998675 SSPNXHIWLJDPQD-JKSUJKDBSA-N 406.533 1.866 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@]1(OC)CCOC1 1690067385 YMCCHHDJMCJYJX-FQEVSTJZSA-N 408.466 1.186 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCCCO2)n1Cc1nnn(C)n1 1690089800 MZPLEBRJPMOCNY-KRWDZBQOSA-N 410.457 1.870 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2CC(F)(F)Br)CC1 1690120370 SJUVDFSTRGTMHN-UHFFFAOYSA-N 414.258 1.422 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@H]2CCO[C@H](C)C2)CC1 1690122300 MVPWFGSPBQMLTO-SQNIBIBYSA-N 400.527 1.190 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCO[C@H]2C(=C)C)CC1 1690154593 TUZJVSGDKPTYHI-QUCCMNQESA-N 415.538 1.762 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)CC1 1690372426 MVMRXSLUNPDWGZ-MSOLQXFVSA-N 402.543 1.887 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1C[C@H](C)S[C@H](C)C1 1690723469 SMGPXPMHDIDLDQ-HZSPNIEDSA-N 413.569 1.160 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCCC1 1692522944 NOPOBXZZBLQZER-UHFFFAOYSA-N 424.509 1.047 30 10 HDEE CCN(C)C(=O)Cn1c(C(C)C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1695501451 FLAPOFLKDAHPCU-HNNXBMFYSA-N 411.514 1.257 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)CCO1 1698492562 DERBXCWVLVMOMK-JKSUJKDBSA-N 409.512 1.073 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1705569840 HKYUCZZIGSUJKZ-MSOLQXFVSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCCN1CCCO 1705576499 LWDJACMTEYEQHC-HXUWFJFHSA-N 407.518 1.873 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1Cc1nnc(C)s1 1705624638 JILCCLKZCWMSDF-UHFFFAOYSA-N 412.475 1.968 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCO[C@@H]1C(C)C 1705628364 DUDLYVLIEBEOMS-RCCFBDPRSA-N 424.567 1.327 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1nc(C2CC2)cs1 1705630552 XGGMJRWGEAGIDB-UHFFFAOYSA-N 414.535 1.869 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](COC(C)C)C1 1705660093 MNLXTVRBCZXPST-HZPDHXFCSA-N 407.540 1.226 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](OC)C(C)(C)C 1705666677 GSGGNKHFORWBIM-SPYBWZPUSA-N 411.572 1.942 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1705943694 IKQCRIZFLSTBTP-ZKNHNOBHSA-N 421.567 1.921 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CC[C@](F)(C#N)C3)n2CCN2CCSCC2)n1 1707826364 GWRJVNZZLNZNKG-IBGZPJMESA-N 418.546 1.631 30 10 HDEE CCn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H](C)C(=O)NC 1710195486 AVNBBWVJSKZEFN-AWEZNQCLSA-N 407.482 1.295 30 10 HDEE CN(CC1CCC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1711139114 TUOIBAVVGDHKHS-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)CCO1 1712287346 GUNWPUGDOHHBNM-IBGZPJMESA-N 407.478 1.759 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1712615878 NNWOERYLJKPLGI-HDICACEKSA-N 401.467 1.330 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccnc1OCCC 1722280258 VUAKWGBRWVCMLB-GJZGRUSLSA-N 420.539 1.578 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722314357 LYPQOYOACSLJDS-UHFFFAOYSA-N 417.539 1.447 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCCS(=O)(=O)C1 1722349292 IFOOWOBWTITXFH-OAHLLOKOSA-N 416.503 1.611 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(-n2cccn2)cc1 1722351873 LHTAPNVWSWOIEQ-GOSISDBHSA-N 424.530 1.678 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCS(=O)(=O)CC1CC1 1722354141 JVDYZQHTBBBNRO-UHFFFAOYSA-N 412.519 1.411 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCCNS(=O)(=O)CC 1722392890 VRGMOCNODMGLCF-UHFFFAOYSA-N 424.530 1.609 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCOC(F)(F)F)CC1 1722429371 KZWCBSUFZQZQNC-UHFFFAOYSA-N 402.421 1.098 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)C2CCCCC2)CC1 1722438178 ZJQKHUBMIGNQON-PGRDOPGGSA-N 414.554 1.316 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCn2cnnn2)CC1 1722439116 PGVWFSSRYKFPCV-UHFFFAOYSA-N 405.510 1.009 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCC(C)CC1 1722473443 DFKMUTXLNPQIDE-WIYYLYMNSA-N 419.595 1.904 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1722514370 ABFJJUBVJNQJKD-MRXNPFEDSA-N 412.556 1.514 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC(C)(C)[C@@H]1C 1722732561 MSLVCAQXCFNQSC-KGLIPLIRSA-N 417.601 1.811 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CC(F)(F)CO2)CCOC1 1728795659 RIAXRAQYYKVZQH-XOKHGSTOSA-N 415.416 1.796 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1740620373 PDTHPFGWQWNOKH-MRXNPFEDSA-N 420.922 1.750 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1740625848 ILGANBQZJQUTHG-ZACQAIPSSA-N 424.592 1.900 30 10 HDEE C=C(C)Cn1c(-c2sc(N3CCOCC3)nc2C)nnc1N(C)[C@H](C)CC(N)=O 1740778313 VYLUNSHIRAUJFG-CYBMUJFWSA-N 419.555 1.823 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1740876292 QEKWADUJWNLPHU-LSDHHAIUSA-N 422.511 1.416 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1740954513 ASWGHECPQIKQOG-HNNXBMFYSA-N 405.524 1.507 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N(C)Cc1cnn(-c2ccccc2)n1 1740963071 YBYUOGFSEVJFLI-UHFFFAOYSA-N 406.494 1.750 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1C 1740985751 KYBRPAJMYDYLOW-UHFFFAOYSA-N 419.551 1.962 30 10 HDEE CC(=O)N1CCC(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CC1 1741023917 ZHYLYISXHCMVSQ-MSOLQXFVSA-N 402.499 1.159 30 10 HDEE CC1=CCN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1742482183 RBCHWCHANDCLBM-KRWDZBQOSA-N 405.462 1.961 30 10 HDEE Cc1noc(C)c1CCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1742870912 HJSLQORDZKZVGT-ZDUSSCGKSA-N 407.482 1.811 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)CN1CCCC1 1748639596 JZJMCWXZXPNXSI-CVEARBPZSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817438 KTKGYAODZXYBKQ-HZPDHXFCSA-N 405.524 1.363 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1748825294 XMNSWEFZMDEJOE-INIZCTEOSA-N 406.483 1.629 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CC[S@@](=O)CC 1748842154 DTTREPZDZNRBBY-LJAQVGFWSA-N 408.487 1.435 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](F)COC 1748876624 NAHYPUPQXZARKG-KRWDZBQOSA-N 408.441 1.368 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1748906583 WFCIXQDWLOXZDE-SJORKVTESA-N 410.588 1.470 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCCN2CCOC2=O)CC1 1748979468 AVAWNYSTQKFPAE-UHFFFAOYSA-N 424.505 1.551 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(C)(C)C(=O)NC)CC1 1748983975 INRPPBVCNYGPCJ-UHFFFAOYSA-N 410.522 1.481 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCO2)CC1 1749010655 UQHHWHDUCZVJNK-ROUUACIJSA-N 401.511 1.317 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CC(C)(C)C)nnc1N(C)CCNS(C)(=O)=O 1749130751 NLBQFSWKTFOTQN-DOTOQJQBSA-N 413.588 1.833 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)NC 1749157989 CAAOSSWBXJUKHQ-QGZVFWFLSA-N 421.523 1.742 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H](C(F)(F)F)C1 1749650041 HRDKVQBIRVFXCO-VXGBXAGGSA-N 402.421 1.353 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(N2CCCCC2=O)CC1 1749671844 KYYSAGIBXZIYPI-UHFFFAOYSA-N 402.543 1.760 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1749756584 ZRPMEJYHMAQUSR-HOCLYGCPSA-N 406.556 1.742 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCC(F)F 1750077231 FBEHRMILJYGEGS-ZDUSSCGKSA-N 416.436 1.494 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(O)CC1 1750971844 FTONUMPRQGMSFZ-QGZVFWFLSA-N 410.478 1.391 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@H](COC)C1 1760148725 KDUGHPVXVJWJPA-SFHVURJKSA-N 408.466 1.186 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCOCC(=C)C)[C@@H]1CCS(=O)(=O)C1 1760193381 YJFMQLKKKBOHIH-IAGOWNOFSA-N 408.524 1.349 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCc2nccn2C1 1760222802 YWBBSCWRMDFJLQ-DYXWJJEUSA-N 422.533 1.924 30 10 HDEE C#CCN(CC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCC(=O)N(C)C 1760239097 WJAAEJJFYRJYBN-IYBDPMFKSA-N 418.542 1.987 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)CC1 1760396779 IQQSRNJKSUFKAF-WHDAMIPWSA-N 415.585 1.202 30 10 HDEE C=CCCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C(=O)NC)C1 1760433407 FIXIMSHDOQWYPX-INIZCTEOSA-N 400.439 1.771 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1760449955 ZYRUMRYTLRHYJI-UHFFFAOYSA-N 415.542 1.572 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1760549053 VLHWEWQRRWOQRX-KRWDZBQOSA-N 422.555 1.413 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@]2(C)CCCO2)CCOC1 1761292209 WFELBRFDCKPVJS-LSTHTHJFSA-N 405.499 1.617 30 10 HDEE CCc1nnc(N2CC[C@H](Cc3cnn(C)c3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1762970904 BAAGJBBZSDUAJT-MVZUJROASA-N 424.509 1.169 30 10 HDEE CCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCOCC(F)F 1763096194 RBANRGAVPQCNIF-UHFFFAOYSA-N 408.457 1.362 30 10 HDEE CCNC(=O)C1(Cn2c(C(=O)N3CCCC3)nnc2N(C)C[C@@H](C)C#N)CCC1 1765605901 AZGHJHLSHOABSI-HNNXBMFYSA-N 401.515 1.416 30 10 HDEE CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCCc2nc(C)no2)CCOC1 1767385193 HPMSGBWFQZRTSW-LIRRHRJNSA-N 403.487 1.850 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](OC)C2CC2)CCO1 1767712381 IFXHAIVRYIOUAV-ZWKOTPCHSA-N 410.478 1.193 30 10 HDEE O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)ON1C(=O)c2ccccc2C1=O 1772791630 WKCHGNOFEAEBTO-SFHVURJKSA-N 419.393 1.217 30 10 HDEE CN1CCN(c2cc(Br)nc3c2N(S(=O)(=O)CC#N)CCC3)CC1 1849211560 FIRPWIVVGNAQMB-UHFFFAOYSA-N 414.329 1.202 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)OCCN2CCOCC2)[C@H]1c1ccc(C#N)cc1 1849428024 HCUWTMQFDSYAHV-WOJBJXKFSA-N 417.531 1.827 30 10 HDEE CC(=O)N1CCN(CC(=O)OC[C@@H](C#N)Cc2ccc(Br)cc2)CC1 1850444483 QUMWDHMWIBYCDA-MRXNPFEDSA-N 408.296 1.839 30 10 HDEE C#CCCN1CCN(C(=O)Cn2nc(-c3ccc(OC)c(OC)c3)ccc2=O)CC1 1850477800 KAOCABLLMDNSGF-UHFFFAOYSA-N 410.474 1.095 30 10 HDEE N#C[C@@H]1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)CCO1 1851048872 GHLHANFXMQUYGD-UKRRQHHQSA-N 417.409 1.609 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N([C@@H]4CCc5ccccc54)C3)CC2)n1 1851294460 TZRPCEZNKOCVNP-FXAWDEMLSA-N 416.485 1.533 30 10 HDEE C=CCN(C(=O)c1ccc(N2C(=O)c3ccccc3C2=O)nc1)[C@@H]1CCN(C)C1=O 1851937855 ZLMNTFOXULIXIV-QGZVFWFLSA-N 404.426 1.741 30 10 HDEE CN(C)C=NC(=S)N(C(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccccc1F 1852839856 CHDXJGIOKSFFSS-ZDUSSCGKSA-N 414.528 1.705 30 10 HDEE CCc1ccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)cc1 1853390143 SFWWNOHCTOCOBS-KRWDZBQOSA-N 404.474 1.612 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)C[C@H](C)N(Cc3ncno3)c3ccccc32)CC1=O 1853895044 HTKLZBKFCFMVPZ-LSDHHAIUSA-N 409.446 1.763 30 10 HDEE N#Cc1ccc(C(=O)N2CCC[C@@H](N3CCN(C(=O)[C@H]4CCCO4)CC3)C2=O)cc1 1854259618 GIOQCBQVXNNHMF-RTBURBONSA-N 410.474 1.013 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C(=O)[C@@H]1C 1854311014 AYVGKCXAFKQXHP-LSDHHAIUSA-N 411.549 1.394 30 10 HDEE Cc1ccc(=O)n([C@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)n1 1855012374 GBSCKSQDGOMFAS-LSDHHAIUSA-N 411.437 1.383 30 10 HDEE Cc1cc(OCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc(C)c1Cl 1855120969 KWQPYTHLXNXWOI-KRWDZBQOSA-N 418.925 1.994 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CCN(c3cc(N(C)C)nc(C)n3)CC2)C1=O 1855256024 CEPTYKHATXLCCG-QGZVFWFLSA-N 400.527 1.457 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1=O 1856041888 WIPHZWQVDGCCFS-MJGOQNOKSA-N 423.579 1.772 30 10 HDEE C=CCCC(=O)N1C[C@H](CN2CC(S(=O)(=O)c3ccc(OC)cc3)C2)CCC1=O 1856147805 VSEORJYVSOOFER-INIZCTEOSA-N 420.531 1.885 30 10 HDEE CC1(C)C(=O)N(C(=O)COc2ccc3ccccc3c2)CCN1S(=O)(=O)CC#N 1856153016 SVWHQTFSEKDYCI-UHFFFAOYSA-N 415.471 1.521 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)[C@H]2CSc3ncc(C)c(=O)n3C2)C1 1856235321 GAZHTXAZORJWQZ-JKSUJKDBSA-N 402.520 1.323 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)C2=O)CC1 1856509608 CUSIFERQVKWVAV-HKUYNNGSSA-N 401.511 1.878 30 10 HDEE CC(=O)[C@@H](C(=O)N(C)C)N1CC(=O)N(C(=O)c2cccc(C#N)c2)c2ccccc21 1856733609 YNRKHTGLAMTPMP-FQEVSTJZSA-N 404.426 1.597 30 10 HDEE N#Cc1cc(C(=O)N2CCN(CC(=O)N3CCCCC3)C3(CCCC3)C2=O)ccn1 1856931884 DSDPKJXYFAJZHR-UHFFFAOYSA-N 409.490 1.563 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2noc3c2CCCC3)C1)[C@@H]1CCN(C)C1=O 1857066946 BHICWUBPTORTGE-DOTOQJQBSA-N 414.506 1.651 30 10 HDEE Cc1ccc(C)c(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857143550 IHDRYFPROLIENJ-IBGZPJMESA-N 404.474 1.527 30 10 HDEE N#C[C@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)COc3cncc(Cl)n3)C1)CC2 1857201091 ARSYEELZVYFBKM-UONOGXRCSA-N 403.870 1.510 30 10 HDEE Cc1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2ccccn12 1858199583 FLOWNAWOLJZPNV-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE N#Cc1ccc(Nc2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)ncn2)cc1 1858248834 LXDZIUYDPYPCIN-UHFFFAOYSA-N 422.470 1.712 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccn2)[C@@H]1c1ccc(O)cc1O 1864049463 KIZVOHMCGQWGDS-SFHVURJKSA-N 419.441 1.984 30 10 HDEE CCN1CCN(Cc2cc(=O)c(OCc3ccc(C#N)cc3)cn2C[C@@H](C)O)CC1 1870349210 FGGNALSKWOCGSJ-GOSISDBHSA-N 410.518 1.817 30 10 HDEE C#CCOc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870561329 IUTBPPBJYLAPQI-UHFFFAOYSA-N 412.446 1.083 30 10 HDEE C=CCn1cc(OCC(=O)OCCCC)c(=O)cc1CN1CCN(C(C)=O)CC1 1870761851 QMFMRWNNTLEXTJ-UHFFFAOYSA-N 405.495 1.421 30 10 HDEE C=CCn1cc(OCC(=O)NCCOC)c(=O)cc1CNc1cccc(OC)c1 1870961761 FOVISXMNNKGWEN-UHFFFAOYSA-N 401.463 1.796 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCC(C#CCN(C)C)CC3)CC2=O)cc1OC 1889946199 ZEIAMTUJAZPYQX-GOSISDBHSA-N 413.518 1.860 30 10 HDEE CCOc1ccc(C(=O)N2CCC(OCC#CCN3CCN(CC)CC3)CC2)cn1 1890039182 DORYFAYNFBCRDI-UHFFFAOYSA-N 414.550 1.742 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC[C@@H]3C#CCN(C)C)C2)cc1 1890892796 BICGGPSIEHMJEL-UXHICEINSA-N 417.575 1.952 30 10 HDEE CC[C@@](N)(C#N)Cn1cnc(I)c1I 1907042963 SKBIZSPBIGPZGE-MRVPVSSYSA-N 416.004 1.723 30 10 HDEE O=C1c2ccccc2C(=O)N1CCN=C(N=c1[nH]ncs1)NCc1ccccc1 1923850920 XYVQJHSFPZVPCN-UHFFFAOYSA-N 406.471 1.814 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174783515 CTABIYBYOMKMRR-KRWDZBQOSA-N 402.517 1.082 30 10 HDEE C[C@H](NC(=O)N[C@@H](C)S(C)(=O)=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2203126248 OAVLKSFLMOUHJJ-WDEREUQCSA-N 402.347 1.798 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2217439348 IIWBAMGTWUITSA-JKSUJKDBSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)NCCOCCOCCNS(=O)(=O)CC1(C#N)CCC1 2233919011 QTZXZKWFMFKCAU-UHFFFAOYSA-N 405.517 1.158 30 10 HDEE CCCN[C@@H](C#CCOC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2235922061 DERGTHMFWUTAGU-JKSUJKDBSA-N 402.557 1.817 30 10 HDEE CC1(C)OB(c2nscc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2243423286 WKAYMWMKYICVSN-UHFFFAOYSA-N 415.324 1.960 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247839686 AVRSUOAQEMJPFZ-CYBMUJFWSA-N 420.319 1.790 30 10 HDEE C[C@@H]1OC2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)CC1(NC(=O)OC(C)(C)C)C2 2248442311 RDSLWWIALBHIAQ-YJPTXTSQSA-N 420.315 1.952 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)Nc3nnns3)c(Cl)c2)OC1(C)C 2267708736 PKKMKLAWDKCOSX-UHFFFAOYSA-N 402.694 1.687 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCN(S(=O)(=O)N2CC(C#N)C2)[C@@H](C(F)(F)F)C1 2281054998 CPUBZDTZODGISW-NWDGAFQWSA-N 412.434 1.607 30 10 HDEE Cc1sc(C(=O)N(C)CCCS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1 2281955767 OZIAJIKXCHBXQB-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CC[C@@H](O)C1 2282321678 AKQXWAISPPTSIV-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1(CN)CCCC1 2282326135 OIXKPKDRLAGKEN-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE CCC[C@]1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCNC1 2282336113 YSXUWJPRIKXZAR-KRWDZBQOSA-N 400.375 1.858 30 10 HDEE CC(C)N(CCN)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282500702 ZZASIKMUXZLMRV-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE COC[C@@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282504882 VTIJAJLXMUFOGS-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CC[C@@H]3O)c(Cl)c2)OC1(C)C 2282507606 JXFBDXRICAVQTH-RISCZKNCSA-N 401.721 1.688 30 10 HDEE CCO[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282508320 UXOJFWPVVJTMDT-CQSZACIVSA-N 401.359 1.988 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC3(S(N)(=O)=O)CC3)sc2Cl)OC1(C)C 2282621049 NFEFZHFHGSOOCH-UHFFFAOYSA-N 420.749 1.252 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCCN2C)sc1B1OC(C)(C)C(C)(C)O1 2282841140 SFPXWPOXBHBWEC-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CC1(C)CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1=O 2282841694 WYGCAZBNRJFYFK-UHFFFAOYSA-N 400.331 1.531 30 10 HDEE CCN(C[C@@H](C)C(=O)O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284393858 QJALCUCMINGVPZ-LLVKDONJSA-N 403.331 1.779 30 10 HDEE CC[C@@H](CCC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284410828 WUTAWTMITWEWMP-NSHDSACASA-N 403.331 1.969 30 10 HDEE CO[C@H](CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284435349 LZRWSSNQUIOBRM-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE COCC[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284459535 MMKJCOWSYRJNBJ-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CC[C@@H]2N)c1B1OC(C)(C)C(C)(C)O1 2287577714 BEZWYRASERYTMQ-OLZOCXBDSA-N 400.375 1.680 30 10 HDEE C=CC[C@H](O)[C@H]1CCN1S(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2314236684 YCRSVLKSBNSPFY-MSOLQXFVSA-N 406.504 1.794 30 10 HDEE C#CC[C@@H](NS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2316822504 RCEZAEPJLKDJIK-MRXNPFEDSA-N 406.460 1.239 30 10 HDEE COC1(C#C[C@H](N)C2(O)CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 2338302065 XDPAABRAPOTVMI-IBGZPJMESA-N 402.491 1.676 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)cs1 2339675828 SSMSKZUHCOALJE-LBPRGKRZSA-N 401.554 1.864 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CN(C(=O)OC(C)(C)C)C1(C)C 2365196792 QCMPYWSDOPHJLR-AUUYWEPGSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C(F)(F)C1 2365208016 BQMZRRXGUYUEAW-MLGOLLRUSA-N 410.483 1.148 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 2365208646 DEURATFZZVRFCL-KHYOSLBOSA-N 402.557 1.552 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1C[C@@H]2OCC[C@@H]2N1C(=O)OC(C)(C)C 2365214270 YVTGVLIDTMIRSY-VGWMRTNUSA-N 400.541 1.568 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@](N)(C#CC(C)(C)S(C)(=O)=O)C[C@@]12CCCOC2 2365245521 IDITYAUHBSRRQG-RTBURBONSA-N 400.541 1.701 30 10 HDEE CN[C@H]1CCCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC1 2365628024 IFATYSFEZQMGEL-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC[C@](C#CC1(S(C)(=O)=O)CC1)(OCC(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2367784879 BVTUTFPDNBHAFP-SCLBCKFNSA-N 403.497 1.730 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)C1(COC)CC(NC(=O)OC(C)(C)C)C1 2367791056 XLOBOJXHVXYVQH-CSLYMUCUSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CCC[C@H]1NC(=O)OC(C)(C)C 2367825917 TYCBGUPESKBQPP-SPYBWZPUSA-N 400.541 1.353 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(-n2cncn2)cc1 25693171 OBJYHBVFCIOKTI-HNNXBMFYSA-N 424.486 1.950 30 10 HDEE COc1ccc(Br)cc1C=NNc1nc2c(c(=O)nc(O)n2C)n1C 254312024 PJDSZBBYHRLIPR-UHFFFAOYSA-N 407.228 1.590 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1NCCNC(=O)c1ccc(Br)cc1 301332016 BPAXTRYVUOLMJF-UHFFFAOYSA-N 423.292 1.810 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2C[C@H]2c2ccccc2Br)CC1 431204680 GGQMTZLGGZOHCW-DOTOQJQBSA-N 421.339 1.934 30 10 HDEE Cc1cc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(F)c(C#N)c2)c(C)s1 435206643 INCHLZXTWAZKES-UHFFFAOYSA-N 417.509 1.633 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(C(=O)c3ccccc3O)CC2)c(F)c1 436999729 NKDJXQRNNVEFTR-UHFFFAOYSA-N 403.435 1.691 30 10 HDEE C=CCN(CC=C)[C@H](CNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2)C(C)C 444105305 KUSYVEJSDNPJCL-GOSISDBHSA-N 412.577 1.993 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H](c2cccc(F)c2)N2CCOCC2)CC1 460685044 AKKAZFGXPCCZCK-FQEVSTJZSA-N 409.465 1.814 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1F 460758500 MPGWPKCZPYALSX-UHFFFAOYSA-N 421.435 1.482 30 10 HDEE COCCS(=O)(=O)c1ccc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 461291184 RRQYLVRIDSRPKF-UHFFFAOYSA-N 411.443 1.811 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)Nc2cnn(-c3ncccc3C#N)c2)ccc1F 461747012 GYCDDGBXTNTAJR-UHFFFAOYSA-N 400.395 1.902 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2CSCN2C(=O)CC)c(C#N)cn1CCOC 463417951 QEELQUJDVZGBAG-CYBMUJFWSA-N 408.480 1.433 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccn2)C(=O)OCC)c1 469943945 KAYPCILDFJOARM-SFHVURJKSA-N 417.487 1.450 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@H]3CCc4[nH]nc(C(F)(F)F)c4C3)CC2)c1C#N 472988529 AUDNJNZHHQKKHN-LBPRGKRZSA-N 421.427 1.796 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 474839711 LJSLATTXDYGQCQ-GJZGRUSLSA-N 416.478 1.567 30 10 HDEE CNS(=O)(=O)c1cccc([C@@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)c1 481060833 PRXIDEXJYVKSQS-GFCCVEGCSA-N 411.480 1.786 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1C#N 489187676 KNCNPIFZZGLZLT-HNNXBMFYSA-N 405.524 1.015 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)cc1 511474761 JJTWSBDOHIQZTG-GOSISDBHSA-N 408.458 1.916 30 10 HDEE COc1ccc(C#N)cc1CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 533452671 RRYRHJIFGBWUMM-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N3CC[C@@H](NC(N)=O)C3)s2)cc1 534966898 ITJPDVJHJJBHMI-GFCCVEGCSA-N 403.493 1.977 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(-n2ccnn2)cc1 535176905 ZULHFNVJMZDMQO-HNNXBMFYSA-N 424.486 1.950 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)c1C#N 536305208 NLJHHMAMHQHDMU-LBPRGKRZSA-N 402.405 1.703 30 10 HDEE CN1CCN(c2nc3ccccc3nc2N2CCN(c3cccc(C#N)n3)CC2)CC1 545478581 NEEASNJCSBPDAS-UHFFFAOYSA-N 414.517 1.975 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)[C@@H](CC)C1 555270233 ZUMLVVDKRLSGBW-IRXDYDNUSA-N 411.572 1.303 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(CCOC)[C@H]1CCOC1 570438205 VNTTUTCOBLLQJX-INIZCTEOSA-N 406.508 1.776 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)c(F)c1 585710683 GIZNPNCOYQANAD-UHFFFAOYSA-N 410.327 1.966 30 10 HDEE N#C[C@@H](NC(=O)CNS(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccc(F)cc1 592539686 XUEDQFBGKZFNFM-MRXNPFEDSA-N 419.434 1.646 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(N3CCCC3=O)c(F)c2)CC1 605417708 PVUFVBFICXJOHV-UHFFFAOYSA-N 403.458 1.404 30 10 HDEE CC(C)CC(=O)N1CCN(C(=O)CCCCCNC(=O)c2ccc(C#N)nc2)CC1 609643876 ZXQXUJKFSSLBCN-UHFFFAOYSA-N 413.522 1.960 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 611541094 PEBILKHZXUEATF-LHSJRXKWSA-N 400.479 1.742 30 10 HDEE NCC#Cc1cc(F)ccc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703971793 IUEVULBMZLLLCV-UHFFFAOYSA-N 401.419 1.174 30 10 HDEE Cn1cc(Cn2cc(Br)cc(C(N)=NO)c2=O)c(Br)n1 714089044 NGXGKYWXRJZBIQ-UHFFFAOYSA-N 405.050 1.250 30 10 HDEE COCCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(F)cc1 730143799 VPLVDMWOEQPVDS-MRXNPFEDSA-N 410.515 1.862 30 10 HDEE Cc1c(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)cccc1C(=O)N1CCCC1 732705906 ISCUGMFRSDLWLV-QGZVFWFLSA-N 409.490 1.368 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](c2ccccc2)C2CCOCC2)CC1 734680758 RFSBBELZIVWXTM-OAQYLSRUSA-N 400.523 1.784 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)CCN1C1CC1 735500965 RFHPLASEWYUFKF-QGZVFWFLSA-N 404.492 1.009 30 10 HDEE CC(C)N1[C@H]2CC[C@H]1CN(C(=O)CCC/N=C1/NS(=O)(=O)c3ccccc31)CC2 744748918 OSZUJNRHQBISTK-IRXDYDNUSA-N 418.563 1.979 30 10 HDEE C[C@H](OC(=O)[C@H](NC(=O)C(C)(C)C)[C@@H](C)O)C(=O)Nc1sc2c(c1C#N)CCC2 745700542 BISUPCZOMXVZSN-JRPNMDOOSA-N 421.519 1.890 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 756684205 GKNSMCBAYHZDCI-MAYDYTAKSA-N 420.491 1.108 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCN1C1CC1 762447580 XYPQYXLWCQCKMH-SFHVURJKSA-N 412.881 1.722 30 10 HDEE C=CCN(CC=C)C(=O)COC(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 786295351 BASZLAXFEWQRBS-UHFFFAOYSA-N 402.495 1.823 30 10 HDEE C#CCn1ccc(CN(CCOC)C[C@@](C)(O)c2ccc(S(C)(=O)=O)cc2)n1 789323045 VQDXXJPYHMQABI-HXUWFJFHSA-N 405.520 1.276 30 10 HDEE CC(C)[C@H](C#N)N1CCN(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 795970246 FXHQQKLIFLSURY-SFHVURJKSA-N 407.559 1.622 30 10 HDEE C=CC[C@@]1(C(=O)NC2CC(NS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 801462362 VBCRAMJLQDSYFK-JRSKDTKFSA-N 401.529 1.529 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)N2CC[C@@](F)(C#N)C2)cc1 806745649 KBRXXCISJYFSGW-BFUOFWGJSA-N 406.414 1.464 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc1ccccc1)C(C)(C)C 807878273 KHCOOWPUQLDGGI-IAGOWNOFSA-N 408.520 1.880 30 10 HDEE C[C@@H]1CN(C(=O)COC(=O)CSc2nc(O)cc(C(F)(F)F)c2C#N)CCO1 808867063 BXLVVBZNWRIEJP-SECBINFHSA-N 419.381 1.560 30 10 HDEE Cn1cccc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)c1=O 809123967 NTDTWKOVEXFAJT-UHFFFAOYSA-N 414.212 1.277 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(CN2CCC[C@@H]2Cc2cccc(F)c2)c1=O 917475005 WQVPZQBNCAWQPD-GOSISDBHSA-N 400.454 1.347 30 10 HDEE C=CCC1(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CCOCC1 1125333930 BESXSRVCCKQPNI-UHFFFAOYSA-N 407.536 1.934 30 10 HDEE C#CCN(C(=O)c1cc(Cn2cc(Br)cn2)on1)C1CCN(C)CC1 1134262770 QCZOPDQULJXRAJ-UHFFFAOYSA-N 406.284 1.852 30 10 HDEE C=CC[C@@H](CO)NC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1139490443 TURATKFYPNELPG-VBKZILBWSA-N 414.499 1.387 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2ccc(-n3cnnn3)cn2)CC1 1139788903 YABFUNWEBRUWSJ-GOSISDBHSA-N 408.853 1.733 30 10 HDEE C[C@H](O)CN(CC(F)F)C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1140844128 FPXGIIGJBICTSO-ZDUSSCGKSA-N 417.478 1.760 30 10 HDEE O=C(N[C@@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 1141380384 OHNVVOKGLNSTLC-OAHLLOKOSA-N 411.386 1.486 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)c1 1143183731 IIZJCDJMQLESQV-RBUKOAKNSA-N 420.473 1.165 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1158826154 QMVYHIMZKXMHSG-IJEWVQPXSA-N 402.394 1.560 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H]3CCN(S(C)(=O)=O)C3)n[nH]2)c1C 1159208162 OHHSVADUMJCBLN-AWEZNQCLSA-N 406.512 1.182 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2CC(O)(c3ccc(Br)cc3)C2)cc1 1167030755 UMQHQLAFAJIPRQ-UHFFFAOYSA-N 414.259 1.781 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1cc(/C=C\C(=O)OC)cc(OC)c1OC 1190504287 OWKBVAFIOGHSKJ-AYPKIECRSA-N 411.476 1.902 30 10 HDEE CC(C)(C)OC(=O)[C@H]1COCCN1CC(=O)Nc1c(C#N)cnn1-c1ccccc1 1196083175 HWRAZFSVNODNJL-QGZVFWFLSA-N 411.462 1.725 30 10 HDEE CNC(=O)NC[C@@H]1COCCN1CC(=O)Nc1ccccc1S[C@@H](C)CC#N 1197201106 ANKIZCJZIKGSLT-LSDHHAIUSA-N 405.524 1.649 30 10 HDEE C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1198071935 MHDKBYZAOBGAGD-SIFCLUCFSA-N 416.503 1.011 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)CC1 1201076098 VOJDABQWIQOXFD-UHFFFAOYSA-N 415.475 1.491 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)CCOCC1 1208297064 OMTHJRYKVQIRNM-UHFFFAOYSA-N 403.435 1.292 30 10 HDEE C#CC1(F)CN(C(=O)NC[C@H]2CC3(CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)C1 1255638159 OKDALXFGPXROCR-CQSZACIVSA-N 409.458 1.686 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 1259127208 HMBCNGHUZZWPLO-UHFFFAOYSA-N 421.500 1.058 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCN(c2ccccc2)CC1 1286372769 YDNDLUPXRXIOAI-HXUWFJFHSA-N 421.549 1.511 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)C1CCCCC1 1286409202 ITELRCNROGCGAR-LAUBAEHRSA-N 418.563 1.584 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc[nH]2)n1CCc1cccc(C(=O)NC)c1 1286459946 XAXNWPRLERNUFN-UHFFFAOYSA-N 406.490 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1C[C@@H](C)N1CCOCC1 1286466318 GTCSMOZGMIBTAR-HXUWFJFHSA-N 411.550 1.984 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCCN2CC)CC1 1286471353 LJOOGOFHBHNDLO-LJQANCHMSA-N 413.570 1.144 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)[C@H](C)CCC)CC1 1286485447 MCOBOMKRWYHVEK-QZTJIDSGSA-N 402.543 1.437 30 10 HDEE C#CCSCCn1c(-c2cccc(OC)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1286500158 OXUDVQUVPXAVRJ-MRXNPFEDSA-N 413.503 1.961 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC=C 1286522678 NHLXKCGOXMJFDD-FXAWDEMLSA-N 421.567 1.959 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1286708979 KDCLTPXUMYHRLT-UHFFFAOYSA-N 424.505 1.704 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)N2CCCC2)CC1 1286769210 XPQDJCRZSJMRLX-HNNXBMFYSA-N 424.571 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](C(F)F)C1 1286814148 LJNRFTPCLCXSIO-CYBMUJFWSA-N 419.498 1.499 30 10 HDEE C=CCSCCn1c(-c2cnccn2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286827799 BFJRNCDPSZPCEN-AWEZNQCLSA-N 400.512 1.210 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1286835174 SEHQQBQIUGZGMI-IBGZPJMESA-N 404.540 1.179 30 10 HDEE C=CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@@]1(OC(C)C)CCOC1 1286836578 NUMZWEUGIZSUGE-OXJNMPFZSA-N 423.583 1.953 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@]1(O)CCN(C)C1 1286971011 GJMIJHUDZCAGEX-BZLDKRAPSA-N 404.559 1.859 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1288990676 OVHDUSLTYRDBNX-LAUBAEHRSA-N 410.478 1.324 30 10 HDEE CC(=O)c1cccc(S(=O)(=O)NCC(=O)N(CCC#N)Cc2ccccn2)c1 1293065580 BWPIIEUVJWPHPK-UHFFFAOYSA-N 400.460 1.505 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)OC[C@@H]4C3)C2)C1 1294596339 ONLSILVZAROCJS-FEDUSRTKSA-N 404.467 1.436 30 10 HDEE CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@](F)(C#N)C2)CC1 1296134644 ZJOVWSZIKFKANA-OPYAIIAOSA-N 419.549 1.640 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nc(C(F)(F)F)n[nH]2)s1 1296789913 RRYPGTXNTRHHBZ-UHFFFAOYSA-N 409.415 1.208 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](CO)[C@H]2CCOC2)C1 1297026160 OBSDHGHHKGAQMM-JSGCOSHPSA-N 408.296 1.518 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@H]1C 1300348708 PFSUUSIDCZECGD-MRXNPFEDSA-N 419.493 1.391 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1CCS(=O)(=O)c1ccccc1 1300540933 GXYANNBLNUDYBN-UHFFFAOYSA-N 419.510 1.811 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccsc1 1300631122 LPGWSPWHTFZECH-OAHLLOKOSA-N 409.537 1.180 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(CCOC)[C@@H](C)C1 1300946315 ZXPLLVSDQLWTIN-HNNXBMFYSA-N 402.499 1.739 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1300972541 MIIYDKOAOBCLRH-OAQYLSRUSA-N 418.542 1.506 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC1(O)CCC(F)(F)CC1 1301291953 VWTSOLVOMZLMOG-LBPRGKRZSA-N 401.435 1.282 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N(C)[C@@H]1CCOC1 1301493027 UAFSTIYVRATFNU-CQSZACIVSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1301502638 NGVQWEFGSSZIJF-HXUWFJFHSA-N 416.913 1.526 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCO[C@@H](C)C2)C1 1301566074 JVZFXPUYDBHMGF-OKZBNKHCSA-N 403.527 1.997 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccc(F)cc2)n1C[C@]1(C)CN(C)C1=O 1301810269 VDDMWTMJRIZXFY-NRFANRHFSA-N 414.485 1.853 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC 1302060860 PCRVVDNWVNZSHU-SDDRHHMPSA-N 405.879 1.205 30 10 HDEE CN1C(=O)c2ccc(NC(=O)CN3CCC(c4ccc(C#N)cn4)CC3)cc2C1=O 1307957554 LXCCEEKBUJJFHH-UHFFFAOYSA-N 403.442 1.997 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2c(O)cccc2OC(F)(F)F)CC1 1309436781 NMBFFCSAQUKBJH-UHFFFAOYSA-N 406.382 1.441 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)cc1 1310132052 YPEPARJGYHSGFP-RTBURBONSA-N 422.551 1.556 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2ccc(C#N)cc2)n1Cc1cnn(C)c1 1314706917 JQGCAIWTMWHKPB-UHFFFAOYSA-N 406.494 1.949 30 10 HDEE CN(Cc1ccon1)c1nnc(-c2ccc(C#N)cc2)n1CCC(=O)N1CCOCC1 1314776046 AXBXOMMSWLWZIB-UHFFFAOYSA-N 421.461 1.690 30 10 HDEE N#C[C@H]1CN(c2nnc(CN3CCCC3=O)n2CCN2CCCCCC2)CCO1 1316538749 ALIKBQNBHVUFJX-KRWDZBQOSA-N 401.515 1.005 30 10 HDEE C=CCO[C@H]1CCN(C(=O)CS(=O)(=O)N2CCN(c3cccc(C)c3)CC2)C1 1320029932 MJGJPKCZHNAKGS-IBGZPJMESA-N 407.536 1.250 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2C[C@@H]2CCCCO2)n1 1329546471 WABALBYMSGSAML-UXHICEINSA-N 424.553 1.885 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1ccc(C)n(C)c1=O 1358948367 BAMLORBGDIVRHY-LJQANCHMSA-N 405.458 1.915 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(C)CN(C)C1=O 1358970962 BYIRWRIAENOCIQ-GOSISDBHSA-N 415.295 1.587 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(=O)N(C)C)CCCC1 1359009598 UEPGONYXCJBDOI-MRXNPFEDSA-N 421.567 1.288 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2C[C@H](F)C2)CC1 1359045394 FWENQKJOAAXBIR-KBAYOESNSA-N 403.502 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(F)cc2)n1CCNS(C)(=O)=O 1359073966 LCCJSKDQMSTVCB-LJQANCHMSA-N 421.498 1.538 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359129620 HSCUPOAURNZTMU-HXUWFJFHSA-N 424.505 1.751 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[C@@H]2NC(=O)NC2=O)CC1 1359178014 GZYAFGXDMDXMFE-HOTGVXAUSA-N 402.499 1.910 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2ccccc2CC#N)CC1 1440711358 ALBDBXZWDJYDTL-UHFFFAOYSA-N 402.476 1.894 30 10 HDEE CN(C)Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)o1 1464022580 CWDNBEZCRBYKKM-UHFFFAOYSA-N 402.476 1.360 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCCNc2ccc(C#N)cn2)C1=O 1464042140 KFAQMFFQMCOSGZ-OAHLLOKOSA-N 401.467 1.062 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1464924246 KCHLJLCPPRSHQX-DPEHCCBOSA-N 406.483 1.665 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CNS(=O)(=O)c1cccc(Br)c1 1467724690 ITSSLVYIKZUGJO-UHFFFAOYSA-N 418.357 1.694 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccc(OC)cc2)cc1 1471437076 YUBLZWSRZZTEMY-HXUWFJFHSA-N 414.483 1.820 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCC1(S(N)(=O)=O)CCC1 1471904386 OJSCVCZXZVKSBA-UHFFFAOYSA-N 402.270 1.027 30 10 HDEE CC(C)C[C@H]1CN(C)CCN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1472035366 HUBFZKPZUUEGGU-INIZCTEOSA-N 406.552 1.694 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCN(c2cnnc(O)c2Cl)C1 1472299816 AFHWJTSMKLLSME-QWHCGFSZSA-N 423.901 1.837 30 10 HDEE CC(C)(CC#N)CS(=O)(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1 1474942310 BYJTYCVMAOTKSD-OAHLLOKOSA-N 417.528 1.838 30 10 HDEE Cn1c2c(ccc1=O)[C@H](NC(=O)N[C@@H]1CCN(Cc3ccc(C#N)cc3)C1=O)CCC2 1478567004 CXTIPGKYFMYKLB-RTBURBONSA-N 419.485 1.735 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C2CC2)C1 1502482292 HIFBAQFOCUCFPR-QGZVFWFLSA-N 416.507 1.582 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCc2n[nH]c(C)n2)CCOC1 1502681284 GEASFVMQJZNMCA-QZTJIDSGSA-N 404.450 1.041 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1503364901 LEGIEEOQRMLOLR-ZWKOTPCHSA-N 421.505 1.400 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](CN2CCOCC2)C1 1507554630 WJGDQGOKAROJTI-GOSISDBHSA-N 402.543 1.378 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1507571621 HVLCUQJMQQEQHM-IRXDYDNUSA-N 404.515 1.267 30 10 HDEE C#CCN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)CC1CC1 1507611343 KUERYZHILYYPEU-UHFFFAOYSA-N 416.503 1.611 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 1507613633 OIHNNLDXTMXCBT-CVEARBPZSA-N 416.526 1.946 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@@H](C)COC)[C@@H]1CCS(=O)(=O)C1 1507634393 KFGFGAXZKGNCKU-SJLPKXTDSA-N 417.535 1.173 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)COC 1507667499 NIIXYXINPFJSCQ-KRWDZBQOSA-N 418.501 1.937 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H](C)SC)CC1 1507733568 DAELIEVWQSPDSF-AWEZNQCLSA-N 406.556 1.134 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2C[C@H](C)COC)C1 1508113884 BGPIWYBTPZVYMX-LPHOPBHVSA-N 424.509 1.985 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2c(C)noc2C)C1 1508132796 ZSUKKZBEGBMSSK-MRXNPFEDSA-N 400.483 1.835 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(C)CN(C)C1=O 1508415022 BISWMGDBAVWNSQ-SPLOXXLWSA-N 410.478 1.790 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1508421785 DDIBHMYKBALHIV-NVXWUHKLSA-N 402.524 1.827 30 10 HDEE N#Cc1cc(C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)cs1 1517780980 BVUGTFIVTOBXLX-UHFFFAOYSA-N 401.473 1.643 30 10 HDEE COCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519077630 JZDPZJCCUKBOPE-UHFFFAOYSA-N 422.493 1.711 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1521130100 QJJBVPHZBHWHRH-HZPDHXFCSA-N 410.469 1.630 30 10 HDEE Cc1nsc(N(C)C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1C#N 1528034002 FGVWXMGCWLTAQW-UHFFFAOYSA-N 422.536 1.429 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)N2CCc3c(C#N)cccc32)CCS(=O)(=O)CC1 1529231945 MJQDWKNEAQLBNO-UHFFFAOYSA-N 404.488 1.984 30 10 HDEE C#CCCN(CCOC)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O 1529946807 QBJQUSBGRKCUAY-UHFFFAOYSA-N 407.264 1.934 30 10 HDEE COC[C@]1(CN(C)C)COCCN1C(=O)Cc1ccc(Br)cc1C#N 1536220641 DQWFDNXXEFMQNC-GOSISDBHSA-N 410.312 1.669 30 10 HDEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1536564430 XGHPARRRHKWUTM-FUHWJXTLSA-N 403.454 1.998 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1CC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539218952 ANUKLUVAYPBRKS-CVEARBPZSA-N 419.551 1.292 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CC(=O)N(CCOC)C1 1539371426 BKBBETDLGKQXBO-SFHVURJKSA-N 413.497 1.962 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CC(=O)N(C)CC)CC1 1539445560 AATJAXDNRSDTOM-UHFFFAOYSA-N 405.506 1.660 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)N2CCC[C@H](C)C2)CC1 1539446985 MKXSASQFHMSDMU-XUVXKRRUSA-N 400.571 1.658 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1539706715 RJAUOTQKHAFKTC-GJYPPUQNSA-N 409.556 1.956 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCOCCS(C)(=O)=O)CC1 1539888538 QRMFOFDHOFQHIX-KRWDZBQOSA-N 412.556 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@](C)(C#N)C1 1540902027 YERHLXCQWKLPGW-SFHVURJKSA-N 403.512 1.409 30 10 HDEE Cc1nc2n(n1)CCN(c1nnc(-c3cccc(C#N)c3)n1CC(=O)NC(C)C)C2 1543094196 AHLUAWTZYVNPKX-UHFFFAOYSA-N 405.466 1.262 30 10 HDEE CNC(=O)[C@@H]1CN(C(=O)c2cc[nH]n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367743 KSYAUBUIXNKCNU-HNNXBMFYSA-N 406.368 1.377 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2CCCN2CCC(O)CC2)CCO1 1555994916 LJMHLKJUBCCGRP-GOSISDBHSA-N 416.551 1.506 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@H](C)SCc1nc(O)c2ccccc2n1)C(=O)OC 1556376024 ZLEZGOCBCLONNY-SWLSCSKDSA-N 405.476 1.818 30 10 HDEE CCN(C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H]1CCN(C)C1 1557467344 IKNXMCBEEXKDBI-INIZCTEOSA-N 406.552 1.838 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](C(=O)OC)C[C@@H]2[C@H]2CCCO2)c1 1560165243 GGQIEDVHFAFZBZ-QXAKKESOSA-N 413.474 1.749 30 10 HDEE C=CCN(Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1CCS(=O)(=O)C1 1560679488 PPDNGSLOXMFLBX-LBPRGKRZSA-N 423.354 1.272 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc3oc(=O)n(C)c3c2)s1 1584479887 VZOWTGDUGZRADF-UHFFFAOYSA-N 407.473 1.839 30 10 HDEE C#CCN(CC(=O)N1CCN(c2ccc(F)cc2C(N)=O)CC1)C(=O)OC(C)(C)C 1585549356 PRGMLWRXCGBQOY-UHFFFAOYSA-N 418.469 1.444 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CCS(C)(=O)=O)C1CC1 1587803907 PVZINGRJLCAQSZ-UHFFFAOYSA-N 416.507 1.352 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCOC2)n1CC[C@@H](C(F)F)N1CCOCC1 1588228091 ANNYPJSMVREXGX-MSOLQXFVSA-N 421.492 1.601 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CC1(COC)CCOCC1 1588314550 IREGAOYEJVMWRC-UHFFFAOYSA-N 415.494 1.909 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H](C)OC)CC1 1588763346 VOJYCWAVYUSLOH-INIZCTEOSA-N 417.535 1.139 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@@H]2CC(=O)N(CCOC)C2)CC1 1588790825 DNACMZILBZRTFI-LJQANCHMSA-N 422.533 1.195 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589059916 KPMCQXGJCFUTHQ-QGZVFWFLSA-N 420.583 1.096 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 1593660961 XCCRREUHDCRDIU-KRWDZBQOSA-N 415.542 1.559 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1593689648 CCKZOTUCNHFAPM-OXQOHEQNSA-N 407.515 1.393 30 10 HDEE COC(=O)[C@@H](C[C@@H]1CCCO1)NC(=O)COc1ccc(C#N)c(Br)c1 1597599574 WRXFMPGWKAFUHH-SWLSCSKDSA-N 411.252 1.926 30 10 HDEE N#Cc1c(F)cccc1Oc1ccc(C(=O)NCc2nnc3n2CCNC3=O)cc1 1598400064 BTUWWIKJRYQZON-UHFFFAOYSA-N 406.377 1.755 30 10 HDEE CC(C)CN1CCO[C@H](Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)C1 1607592700 FFXFMIJRLQRKEV-MSOLQXFVSA-N 404.559 1.952 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@]2(C)COCCO2)CCOC1 1610337533 SXSDFKSDICQGLJ-NSISKUIASA-N 407.515 1.863 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)CC1 1611061735 LJQLAAQKMRGTBI-UAPYVXQJSA-N 417.531 1.461 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCN1CCCC1 1612652887 DYZDJXJGSCAUMT-KRWDZBQOSA-N 407.522 1.970 30 10 HDEE CCc1cnc(Cn2c([C@H](C)OCCOC)nnc2N2CCO[C@H](C#N)C2)s1 1613845723 NIOBDFPJIMQMLH-UONOGXRCSA-N 406.512 1.798 30 10 HDEE CCCCOCCn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1614579879 HLMJVYVUPVFQQI-UHFFFAOYSA-N 400.531 1.897 30 10 HDEE C=C1CC[C@H]2[C@](C)(CC[C@@H](O)[C@@]2(C)COC(=O)C(=O)O)[C@H]1C/C=C1\C(=O)OC[C@H]1O 1615811943 LBWGMBCRIXRVEF-XHCPBFOFSA-N 422.474 1.598 30 10 HDEE COCCN(CCC#N)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCOC1 1619911819 HZOFXRSCXMTVRV-CQSZACIVSA-N 402.455 1.409 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1CCN1CCOC[C@H]1C 1619984226 ZJSLBEDJQQVSOG-MSOLQXFVSA-N 420.558 1.853 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@]1(O)CCN(C)C1 1620102623 PJYLIJCOJRWYFJ-PZBISTMVSA-N 418.542 1.199 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 1624726505 PMCZSQSQMFCVON-AWEZNQCLSA-N 401.360 1.143 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)C(C)(C)CN2CCOCC2)c1 1630351379 NJIPXXXSYMIICS-RELWKKBWSA-N 422.551 1.796 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC1(O)CCC(F)(F)CC1 1633690884 CJWHLIIVTAOLHI-LBPRGKRZSA-N 401.435 1.282 30 10 HDEE N#Cc1cnc(C(=O)N2CCC(C(=O)NCCCN3CCOCC3)CC2)c(Cl)c1 1634229500 LPQDHKLTZXMTOH-UHFFFAOYSA-N 419.913 1.297 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1 1635238690 VXHNIUAAAFAHPC-ZWNOBZJWSA-N 408.373 1.756 30 10 HDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)CCN/C(O)=C2\N=CC=CC2=O)C1 1635937641 DFLTWJJGYUHHLN-KHOFPDMRSA-N 412.490 1.229 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C(=O)NCCc2ccccc2)cc1 1636720162 KAPWJXZCIUYBTP-INIZCTEOSA-N 415.515 1.628 30 10 HDEE CCOC(=O)N1C[C@@H](NC(=O)CCCC(=O)Nc2ccccc2C#N)[C@H](CO)C1 1637077437 WPSFVTHNFGNHOS-DOTOQJQBSA-N 402.451 1.232 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1637413893 CPTZWPYCNJNULH-DJIMGWMZSA-N 423.535 1.308 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 1638183003 HMXIWYGKIDIGOQ-SJORKVTESA-N 400.410 1.728 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CC1 1638655740 AXSKBKSVJQDWAV-HNNXBMFYSA-N 418.490 1.995 30 10 HDEE Cc1nc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)sc1C(N)=O 1640152119 RBJSNWHCVYRXNF-NSHDSACASA-N 417.878 1.745 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C[C@]1(C)NC(=O)NC1=O 1640482857 DSIYZDZBOGFAJC-YRVVQQKDSA-N 406.483 1.272 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H]3CCCN(CCCO)C3)ccc2c1=O 1641572835 YQEDOXNCXURNMY-OAHLLOKOSA-N 402.520 1.448 30 10 HDEE C#CCN1CCN(C(=O)CN(C(=O)C2CC2)S(=O)(=O)c2ccc(Cl)cc2)CC1 1643890360 BZEGSVIXAUZEQB-UHFFFAOYSA-N 423.922 1.045 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CN3CCNC3=O)CC2)c1 1645717410 HGPUXOAYFHHVRD-UHFFFAOYSA-N 408.455 1.000 30 10 HDEE COC(=O)[C@@H]1CCN(CCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]([C@@H]2CCCO2)C1 1648399741 NTUPXDCPFKCGIF-ZACQAIPSSA-N 407.492 1.160 30 10 HDEE N#C[C@@]12CN(C[C@@H](O)COc3ccccc3C(F)(F)F)C[C@H]1CS(=O)(=O)C2 1648415245 GGEIIGVXSDIVOJ-ZENOOKHLSA-N 404.410 1.315 30 10 HDEE N#C[C@]12CN(Cc3csc(CC(=O)Nc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1648500628 STHWNNJGQFRUFZ-IFXJQAMLSA-N 416.528 1.694 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCN1CCCCC1=O 1649539659 PSQNYRSOONBMMU-UTKZUKDTSA-N 403.527 1.791 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)C(=O)N(Cc3ccccc3)C2=O)c1 1652467705 ZDKOFDZYFYWNQO-UHFFFAOYSA-N 404.382 1.307 30 10 HDEE C[C@H](CC#N)NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C 1654068377 AHTQMOOVRJMTNR-OAHLLOKOSA-N 407.540 1.757 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1657275233 VPNJRIOJHCCNKS-HNNXBMFYSA-N 419.503 1.166 30 10 HDEE CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCC(C#N)(C(=O)OC)CC2)c1 1663904199 CXPHZWZAFMFMGY-UHFFFAOYSA-N 424.475 1.477 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(OC)cc2OC)CC1 1664311195 BHIJQDJGHPVMOJ-UHFFFAOYSA-N 417.325 1.842 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(S(C)(=O)=O)CC1)c1ccc(Br)cc1 1666769759 GJGICPLPJJNBMR-HNNXBMFYSA-N 414.325 1.847 30 10 HDEE C#CCSCCNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1669340776 IUHCNXINDZSQQI-KGLIPLIRSA-N 407.458 1.610 30 10 HDEE CC(=O)N(c1ccc(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1)[C@H]1C[C@H]1C 1671658688 UYWJADALLFKNLA-DKFVKDFSSA-N 416.503 1.850 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc3c(Cl)c(C)cnc23)CC1 1673354641 WPRGLZIXCVZRFZ-UHFFFAOYSA-N 421.910 1.814 30 10 HDEE COC[C@H](CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)C(C)C 1685474463 HPDCYHQXBQGRAB-KRWDZBQOSA-N 408.524 1.493 30 10 HDEE N#Cc1ccc([C@H]2CN(C(=O)NCc3cc(S(N)(=O)=O)ccc3F)CCO2)cc1 1686962766 PBMBIDJQVYGXEX-GOSISDBHSA-N 418.450 1.628 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1CCC[C@H](C)C1 1689825981 GNEUEOPNUUUTGX-ULQDDVLXSA-N 424.615 1.857 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690244117 TXAPRFVKEQBZCS-WDYCEAGBSA-N 411.510 1.773 30 10 HDEE C=C(C)Cn1c(N2CCN3C(=O)N(C)C[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1690297746 FHUPULVNZCKKMW-UZLBHIALSA-N 404.515 1.451 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690490056 NLUDRKAEAQGGPN-UHFFFAOYSA-N 417.558 1.013 30 10 HDEE Cc1cnn(CCn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)c1 1693300752 FIBXEUWVQKOZNA-INIZCTEOSA-N 411.441 1.930 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC(=O)NCC(F)(F)F 1705479442 LURQZFXZBUJAAU-CXAGYDPISA-N 417.432 1.455 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)c1ccccc1 1705547517 TVWZUPVFFJOPTL-FQEVSTJZSA-N 418.519 1.474 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1705631612 KEPKFWKZAPJJRB-ROUUACIJSA-N 400.527 1.084 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC[C@H](O)C2)C1 1705924069 AEENHTAQWDSOJN-XWTMOSNGSA-N 424.567 1.513 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCc1cccc(C(N)=O)c1 1722306257 PWTZLXMOXUPLKB-SNRMKQJTSA-N 411.506 1.802 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1ccc(OC)nc1OC 1722344963 VYBHJMTVUXOLBX-OAQYLSRUSA-N 415.494 1.849 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1722385725 KGQUAVKYDIQKLU-JTSKRJEESA-N 410.474 1.478 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 1722419106 NZSLZSNPWCJTKF-LJQANCHMSA-N 404.603 1.935 30 10 HDEE C=C(C)COCCn1c(Cc2ccsc2)nnc1N(C)CC(=O)N1CCOCC1 1722533976 FCMGBZMLBINNHK-UHFFFAOYSA-N 419.551 1.818 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(OC)C1 1722537985 SDTBXCVICVGZKQ-QFBILLFUSA-N 412.556 1.778 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CC)C(=O)C1 1722604222 WGCSFPUDRSZVMM-MRXNPFEDSA-N 409.556 1.595 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1722642572 HYLUMYRRDGMPBY-UHFFFAOYSA-N 401.467 1.347 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1N(C)CCCC1(C)C 1722680088 WGGBGFFFBXGPHU-IAGOWNOFSA-N 404.559 1.988 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 1722692493 NXRVPKFYIFEKRC-OAQYLSRUSA-N 418.542 1.458 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1 1722699735 XSYAJQCUVYJMMJ-KGLIPLIRSA-N 417.432 1.632 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1C(C)(C)C 1722704580 VGJUNMGBLSJKNY-UHFFFAOYSA-N 402.543 1.717 30 10 HDEE C[C@H](Oc1ccc(F)cc1)c1nnc(N(C)C[C@@H](C)C#N)n1CCNS(C)(=O)=O 1722862305 BHVXJNIAKNRWLF-KBPBESRZSA-N 424.502 1.702 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1724011409 QBZMMBANIVJDBM-LIRRHRJNSA-N 414.491 1.823 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C(N)=O)CC2)n1Cc1ccc(C#N)o1 1730831737 QSTPAMAGSCNLLU-ZDUSSCGKSA-N 402.455 1.217 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1Cc1ccc(C#N)o1 1730848327 YIXYNIATGJARFH-VBKZILBWSA-N 414.466 1.231 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2cc[nH]n2)CC1 1731188952 CPMJNWUUDXOZQB-MRXNPFEDSA-N 412.498 1.455 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC1(NC(=O)OC(C)(C)C)COC1 1740531329 JVQRJOVPBJMFDN-CQSZACIVSA-N 420.514 1.168 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C)(C#N)CC1 1740589809 BRTIHZXBRFHKSS-INIZCTEOSA-N 420.539 1.154 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2OC)n1C[C@H](C)CN1CCOCC1 1740635085 ISGSSKXIJPDHRW-LJQANCHMSA-N 407.518 1.995 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@H](C(C)C)N1CCOCC1 1740683064 SENZXBUOIBRBIB-HXUWFJFHSA-N 414.554 1.726 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCCCC2)CC1 1740695392 PKBYLCYPNZAASW-UHFFFAOYSA-N 408.554 1.755 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCC2(CC1)COC(=O)N2 1740720544 CKGWZMXVOGSJSG-UHFFFAOYSA-N 412.519 1.709 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCN(C)C(=O)C1 1740762550 FHOGBBIOVJDAQK-YLJYHZDGSA-N 413.526 1.399 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCN2CCOC2=O)CC1 1740819027 ASWDBBXLNOBUSY-FQEVSTJZSA-N 405.499 1.929 30 10 HDEE C=CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1740945800 VZMQPZWGYXAFAB-IBGZPJMESA-N 415.885 1.994 30 10 HDEE C=CCn1c([C@H]2CCCOC2)nnc1N1CCCN(CC(=O)N(CC)CC)CC1 1740946882 ISGZWGDKJGEPPN-SFHVURJKSA-N 404.559 1.739 30 10 HDEE C#CCN(CC)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)CC 1748929494 KQLMYMKYUHPLGP-QGZVFWFLSA-N 404.492 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCOC1 1748956271 BFSHEBLSDJSRQI-INIZCTEOSA-N 408.466 1.043 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCc2nnc(C)s2)CC1 1748993988 SUCXXBRFCLJVDB-UHFFFAOYSA-N 408.535 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCO2)CC1 1749019017 IITUCCCZUFEIIE-QZTJIDSGSA-N 401.511 1.665 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccccc2OCC)n1Cc1nnn(C)n1 1749078768 PBVOUEWEPKJIFB-OAQYLSRUSA-N 422.493 1.820 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749659428 BZYRWGMFUMHXJW-MRXNPFEDSA-N 410.478 1.067 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nccn1C(F)F 1750006957 JQUQTFXKDONHEA-OLZOCXBDSA-N 411.413 1.371 30 10 HDEE CSCCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1750309136 ZJRJGEDILUFSLV-BBRMVZONSA-N 418.564 1.864 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCOC[C@@H]1CCOC1 1751089285 DYCYQNLPTXJUSE-SJORKVTESA-N 404.515 1.696 30 10 HDEE Cc1nnc(CCn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)s1 1751866402 FYPYSBLBFBRDTE-OAHLLOKOSA-N 408.491 1.531 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1sccc1C)[C@H]1CCS(=O)(=O)C1 1760188588 PLAPHEKZAFSDFI-HOTGVXAUSA-N 420.560 1.827 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@](C)(O)c1ccc(F)cc1 1760221871 NVUXYXOLKVPSNN-QHCPKHFHSA-N 423.492 1.910 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCn2cncn2)CC1 1760260658 AZYNJATYTAZIMJ-UHFFFAOYSA-N 404.522 1.500 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760519683 LUANCQXVKDMFKH-INIZCTEOSA-N 403.508 1.261 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCNC(=O)[C@H]1CC 1760522928 GZIGRCNWQIIQCC-QGZVFWFLSA-N 407.478 1.443 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCc2cc(F)cc(C)c2C1 1760523408 XHTJTQLQMPPGGJ-UHFFFAOYSA-N 409.469 1.991 30 10 HDEE CC[C@H](C)[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)OC 1763450549 JVVAOPBSPNXMLV-ZQIUZPCESA-N 416.482 1.796 30 10 HDEE CC[C@H](C)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763832844 UZHOALIJUFFZJX-RIRYERNZSA-N 418.498 1.168 30 10 HDEE COc1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)ccc1Cl 1768303803 AVBXHUIMJKOANN-HIFRSBDPSA-N 416.869 1.668 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCS(C)(=O)=O)C1 1769415163 FGLKDDJPVWYMGJ-INIZCTEOSA-N 417.491 1.251 30 10 HDEE COC(=O)Cn1ccc(=NC(=O)C2CCN(c3c(C#N)cnc4ccccc34)CC2)[nH]1 1850435705 XIZUWFOCHPLLJY-UHFFFAOYSA-N 418.457 1.753 30 10 HDEE C[C@H](Oc1ccc2c(c1)OCO2)C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851733729 BSHIKUOPZTZOJR-INIZCTEOSA-N 424.457 1.815 30 10 HDEE N#Cc1ccnc(N2CCN(CC(=O)Nc3ccccc3Br)CC2)n1 1852538210 KYCSASQDQDSEGE-UHFFFAOYSA-N 401.268 1.871 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC4(CC3)CCS(=O)(=O)C4)C2=O)c1 1854080159 QYEFVJJGNCRTJN-QGZVFWFLSA-N 401.488 1.200 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc(CC#N)ccc2Cl)C1=O 1854157778 IWTGYGHGCXTAPL-QZTJIDSGSA-N 414.893 1.866 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COc2ccccc2F)C1=O 1854262945 PAECFPVDKARQQD-QZTJIDSGSA-N 417.481 1.831 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)CC(F)(F)F)C(=O)C3)C2)c(F)c1 1854318376 CWNAYMPTKMAQLF-OAHLLOKOSA-N 412.387 1.895 30 10 HDEE COCCOc1cncc(C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)c1 1854324456 MSWKFDVOGJAZOR-UHFFFAOYSA-N 412.421 1.602 30 10 HDEE CC1(C)C(=O)N(C(=O)CC#N)CCN1S(=O)(=O)c1ccccc1Br 1854378334 LACJHOUFVNCDOI-UHFFFAOYSA-N 414.281 1.501 30 10 HDEE COc1ccccc1Cc1noc(C2CN(C[C@@H]3CC(=O)N(C(=O)CC#N)C3)C2)n1 1854492747 SYZSWAFTQPIMFR-AWEZNQCLSA-N 409.446 1.357 30 10 HDEE C[C@H]1CCN(C)c2ccc(C(=O)N3CCN([C@@H]4CCN(CCC#N)C4)CC3=O)cc21 1855009620 IPHKCZOHAPREMQ-PKOBYXMFSA-N 409.534 1.902 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)Cc3ccc(C(F)(F)F)cc3)C(=O)C2)C1 1855019143 JMLWPQQWJUWHRE-KRWDZBQOSA-N 408.424 1.907 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CCO2)C1 1855428446 QOFYNNHGEMNXEU-HZPDHXFCSA-N 408.499 1.233 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)CCS(=O)(=O)c2ccc(F)cc2)C1 1855475311 DLQWRZHRRZRAMC-OAHLLOKOSA-N 409.483 1.600 30 10 HDEE N#CCCCN1CCN(C(=O)C2CN(c3nc4ccc(F)cc4s3)C2)C(=O)C1 1855545161 AKJOWVKCGUZUGH-UHFFFAOYSA-N 401.467 1.846 30 10 HDEE Cn1cc(C(=O)N2CCCC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)nn1 1855706669 LZZWVYCVDLKCKL-LJQANCHMSA-N 406.490 1.894 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCC(Cn3nc4c(cc3=O)CCC4)CC2)CCC1=O 1855963226 YETDXLBIGUXKGC-KRWDZBQOSA-N 411.506 1.123 30 10 HDEE N#Cc1ccc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CCOCC4)ccc32)cc1 1855969661 ZREYXTBLXYPJDY-UHFFFAOYSA-N 411.439 1.309 30 10 HDEE CN1CCN(C[C@@H]2CC(=O)N(C(=O)c3cc(CC#N)ccc3Cl)C2)CCC1=O 1856107291 TYOWHOLDEOWRCH-HNNXBMFYSA-N 402.882 1.559 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCC(=O)N3c3ccccn3)C2)CC1 1856150863 QPXSGXNCSUERMZ-QZTJIDSGSA-N 409.490 1.578 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)c3cn(CC4CCC4)nn3)C(=O)C2)cc1 1856279196 GCQKWIWWJJXSKQ-UHFFFAOYSA-N 408.462 1.313 30 10 HDEE CN1CCN(C[C@H]2CC(=O)N(C(=O)c3ccc(C#N)cc3)C2)[C@H](C2CCOCC2)C1 1856327998 NEZCMJWYLDATTA-NQIIRXRSSA-N 410.518 1.590 30 10 HDEE C=C1CCCN([C@H]2CCCCN(C(=O)C3CN(S(=O)(=O)C4CC4)C3)C2=O)CC1 1856543975 BODCKMSNSIPQBR-SFHVURJKSA-N 409.552 1.360 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2CC[C@@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1856550437 QCHPMXKBDNKWPR-HZPDHXFCSA-N 402.495 1.606 30 10 HDEE C=CCCC(=O)N1C[C@@H](CN2CCN(c3cc(N(C)C)nc(C)n3)CC2)CC1=O 1856630382 RPBHLCNNFAASSS-QGZVFWFLSA-N 400.527 1.314 30 10 HDEE CS(=O)(=O)C1CCN(C[C@H]2CCC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1856972789 ZSRQKIKAHUEGGR-MRXNPFEDSA-N 403.504 1.446 30 10 HDEE C=C[C@@H]1CCCCN1C[C@@H]1CC(=O)N(C(=O)C2CN(c3ncc(Cl)cn3)C2)C1 1856999653 QWJPHFRODWOCEU-WMLDXEAASA-N 403.914 1.982 30 10 HDEE C=CCNC(=O)NS(=O)(=O)c1ccc(CCNC(=O)/C=C/c2ccco2)cc1 1858978978 HJXYHIJXTIBRJV-JXMROGBWSA-N 403.460 1.826 30 10 HDEE C=CCNC(=O)C1=C(N)Oc2c(c(C)nn2C)[C@@H]1c1cc(OC)c(OC)cc1OC 1864868594 VDNJELZZHPNGSI-KRWDZBQOSA-N 414.462 1.751 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1Cc1ccco1 1870525527 LDIBHWZOUQZUKG-UHFFFAOYSA-N 415.490 1.805 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(Cl)cc2)c(=O)cc1CN1CC(O)C1 1870649564 GXMZUBSPMRSUIH-UHFFFAOYSA-N 403.866 1.882 30 10 HDEE C=CCn1cc(OCC(=O)OCC)c(=O)cc1CN1CCN(c2ncccn2)CC1 1870692594 SOVUPLVOQZPJHB-UHFFFAOYSA-N 413.478 1.088 30 10 HDEE N#Cc1ccc(Nc2nc(N3CCC(CO)CC3)nc(N3CCC(CO)CC3)n2)cc1 1871730938 JMYZKKHRYLYIBG-UHFFFAOYSA-N 423.521 1.904 30 10 HDEE C=CCN([C@H](C(=O)Nc1ccc(N2CCN(C)CC2)cc1)C(C)C)S(C)(=O)=O 1872272104 GVSYFDQQKNZSHZ-IBGZPJMESA-N 408.568 1.849 30 10 HDEE CN(C)c1ccc(/C=N/Nc2cnn([C@H]3CCS(=O)(=O)C3)c(=O)c2Cl)cc1 1873528731 FYXDSAHGFHLMGO-FRSZACSASA-N 409.899 1.768 30 10 HDEE C=CCn1c(C(=O)N2CCC(C)CC2)cc2c(N3CCN(CCO)CC3)ncnc21 1873562318 XMZNAPYJZHXUOW-UHFFFAOYSA-N 412.538 1.604 30 10 HDEE C=CCn1c(C(=O)Nc2ccc(OC)cc2)cc2c(N(CCO)CCO)ncnc21 1873646190 IDAVROGMXVPJOU-UHFFFAOYSA-N 411.462 1.669 30 10 HDEE C=CCNc1ncnc2c1cc(C(=O)N(CCOC)CCOC)n2CCCOC 1875221593 WYUCBXQGTUAAPX-UHFFFAOYSA-N 405.499 1.801 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cn3nc(C)cc3C)CC2)CC1 1889275167 PCWGPVQDSJSDDE-UHFFFAOYSA-N 401.555 1.148 30 10 HDEE Cc1ccnc(N=c2ccc(N3CCN(C(=O)c4ccnc(C#N)c4)CC3)n[nH]2)c1 1889827978 YXQKJZHNNHIMJT-UHFFFAOYSA-N 400.446 1.575 30 10 HDEE Cn1nccc1-c1cncc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)n1 1891613435 AGPXOOHLDIEMTB-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE COC(=O)C1(NC(=O)OC(C)(C)C)CC(NS(=O)(=O)c2ccc(C#N)s2)C1 1965834916 PSOJQPKDCHRLPS-UHFFFAOYSA-N 415.493 1.497 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](CO)C1 1984283068 HYYMTPZPDMQIKQ-NEPJUHHUSA-N 413.334 1.432 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@@H]1C(=O)N1CC(CB2OC(C)(C)C(C)(C)O2)C1 1985102197 CVJNMFPMZOQLPW-HUUCEWRRSA-N 410.320 1.907 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)CC(O)C1 2018047347 NLKRVGHXALQOJE-LZPWWVKNSA-N 422.331 1.955 30 10 HDEE N#CC1CN(S(=O)(=O)NCC2(F)CCN(C(=O)OCc3ccccc3)CC2)C1 2054404422 GFYPXZVJSOQCIE-UHFFFAOYSA-N 410.471 1.417 30 10 HDEE C=CC1(O)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2074500944 SVCAMSXUODNYGO-GOSISDBHSA-N 410.467 1.354 30 10 HDEE C#CCN(C1CCNCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108233324 GDLYTBZEVVJGET-FQEVSTJZSA-N 421.494 1.028 30 10 HDEE C[C@H](C[S@@](C)(=O)=NS(=O)(=O)c1ccc(C#N)nc1)NC(=O)OC(C)(C)C 2118168656 UADAGVFVVOGBMP-SSINHNECSA-N 402.498 1.653 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)s1 2181116390 FGGHNIITOGUTBC-ZDUSSCGKSA-N 415.537 1.361 30 10 HDEE N#Cc1cccnc1N1CCN([C@@H]2CN(C(=O)OCc3ccccc3)C[C@H]2O)CC1 2195972237 UUXODXZAXCWSCV-WOJBJXKFSA-N 407.474 1.457 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNS(=O)(=O)c1cc(C(=O)O)n(CC)c1 2196994071 BPAUAZMRUBSQAJ-UHFFFAOYSA-N 401.485 1.956 30 10 HDEE C[C@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2243418546 GFKNHHRUDFEDKN-AWEZNQCLSA-N 400.288 1.138 30 10 HDEE Cn1ncc(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1B1OC(C)(C)C(C)(C)O1 2247916028 OJGQLHCQSOFJCA-UHFFFAOYSA-N 422.335 1.752 30 10 HDEE C#CCCN(C(C)C)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258176004 AOEJSOJANQSTPX-KRWDZBQOSA-N 410.492 1.518 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N[C@H]2CC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2281796759 XXXYHJIDYQXWFX-WDEREUQCSA-N 400.331 1.138 30 10 HDEE COC[C@H]1CNCCN1C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2281974304 WSWWJFSPHGRKMX-LLVKDONJSA-N 400.737 1.761 30 10 HDEE Cc1cc(C(=O)N[C@@H](C)[C@@H](C)S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282010969 BLPCQJHXCDUDBU-NWDGAFQWSA-N 401.359 1.907 30 10 HDEE CCn1cc(C(=O)N[C@H]2CCCC3(C2)OCCO3)nc1B1OC(C)(C)C(C)(C)O1 2282039386 UUVQTDDFPMLPPC-AWEZNQCLSA-N 405.304 1.618 30 10 HDEE CCN([C@H]1CCNC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282311518 JMOSFSBAXYAMDI-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@H](CO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315327 MJQHXGIXAZAKIA-CYBMUJFWSA-N 401.359 1.749 30 10 HDEE CN(C[C@H]1CCC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331538 OVJLFRHIKKKZHR-OCCSQVGLSA-N 401.359 1.829 30 10 HDEE CCn1c(O)nnc1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282334429 AZSGNRYRABUOOK-UHFFFAOYSA-N 400.291 1.165 30 10 HDEE CCN([C@@H]1CCC[C@@H]1O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282337036 DHYKAWPMHMKQEP-KGLIPLIRSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H](CN)C(F)(F)F)OC1(C)C 2282339984 ZUMPFSDGXDBRQP-VIFPVBQESA-N 414.280 1.463 30 10 HDEE CS[C@@H](CO)[C@H](C)NC(=O)c1nn(C)c(Cl)c1B1OC(C)(C)C(C)(C)O1 2282543566 LHPJRUPWUZMBOA-UWVGGRQHSA-N 403.741 1.215 30 10 HDEE COC(=O)[C@@H](N)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282641585 BUHRDANYCPEQFW-JTQLQIEISA-N 402.709 1.321 30 10 HDEE CC[C@@H](CN(C)C)NS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282834163 QCBNPYOYLRRQAR-ZDUSSCGKSA-N 402.391 1.974 30 10 HDEE CN([C@H]1CCC[C@H](N)C1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851431 BOGVJZTZIFTRKE-STQMWFEESA-N 400.375 1.938 30 10 HDEE COC[C@H]1C[C@H]1CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282861294 MEWWTVNYNZNCHE-QWHCGFSZSA-N 401.359 1.950 30 10 HDEE CC1(C)OB(c2cscc2CO[C@H]2CCCN(S(C)(=O)=O)C2)OC1(C)C 2285600875 SFCKDESADGAOEZ-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC(C)(C)C(=O)O 2290086352 VSOFDEOPFBHCSQ-UHFFFAOYSA-N 402.513 1.762 30 10 HDEE C#CCOCCCCCNS(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2344206026 IXYUDFZCTMQGLY-FQEVSTJZSA-N 424.494 1.750 30 10 HDEE CN[C@@H](C#Cc1nc(C)cs1)[C@@H](O)c1cn(C)nc1I 2363683929 GJSMELBLCIAZFQ-JQWIXIFHSA-N 402.261 1.463 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 2363922732 BEFIPGMKASRQBW-GJZGRUSLSA-N 413.565 1.679 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCCC[C@]1(O)C(=O)C#CC(C)(C)S(C)(=O)=O 2365200912 CLEWABGGRFHIJK-AUUYWEPGSA-N 401.525 1.828 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](CN(C)C)NC(=O)OC(C)(C)C 2367803314 JXHWEPIWCGXSJY-HZPDHXFCSA-N 401.573 1.390 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2367814740 DWHANDWQIAQLAL-QMTMVMCOSA-N 400.541 1.211 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819842 PRHXQXSYEASVDC-HDMKZQKVSA-N 400.541 1.435 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)[C@H](C)NC(=O)OC(C)(C)C 2367826233 WSIONHSWSWMABI-HDMKZQKVSA-N 402.557 1.599 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1(C)C 2367831784 UNXOGFNUQCSNMS-QLFBSQMISA-N 400.541 1.291 30 10 HDEE C=CCOC(=O)C1=C(C)N(CC(=O)OCC)C(=O)[C@@]12c1ccccc1-c1oc(N)nc12 20167611 JMKFVYXURJCOFF-QFIPXVFZSA-N 423.425 1.932 30 10 HDEE C/C(=N\Nc1nnc(SCC(=O)NCc2ccco2)n1N)c1ccc(F)cc1 21323411 DSAKZPWZJLSUNY-SRZZPIQSSA-N 403.443 1.969 30 10 HDEE C[C@H](OC(=O)[C@@H](C)NS(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C#N)c1 24843531 HHUKXUHRQNMOFM-OLZOCXBDSA-N 419.434 1.935 30 10 HDEE C[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ccc(-n2cncn2)cc1 107770227 MSOFUKASWWLKBU-OAHLLOKOSA-N 409.471 1.931 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 410071309 RRNWVRGCBOSQHC-INIZCTEOSA-N 418.471 1.925 30 10 HDEE C[C@H](C(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1)n1cnc(C#N)n1 410092890 DHDNGOGLOQZQPL-CQSZACIVSA-N 404.430 1.556 30 10 HDEE COC(=O)[C@H]1[C@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCCOc1ccc(C#N)cc1 440241037 RWGSWVFQXGAHSV-QBPKDAKJSA-N 401.419 1.072 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cn3ccnc3)CC2)nc1 442919380 IVTLCWPRQMBTHW-UHFFFAOYSA-N 408.487 1.709 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCSC1 460384699 FDIPUNWNXQWFOI-KBPBESRZSA-N 401.558 1.129 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCc2cccc(N3CCCS3(=O)=O)c2)cc1 462900519 BSHPGEXEQRIVAA-UHFFFAOYSA-N 412.471 1.144 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cc(C#N)ccc2F)CC1 464047898 YICOYNYJAAOCOD-UHFFFAOYSA-N 419.482 1.754 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CC(=O)OCC)c2ccccc2C)C1=O 471491856 NAZLKWCAUKXVHV-HNNXBMFYSA-N 401.419 1.082 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 482169739 KTLGRONWMLZNJN-RDTXWAMCSA-N 412.471 1.147 30 10 HDEE C=CCNC(=O)CN1CCN([C@H]2CCN(c3ccc(C(F)(F)F)cc3)C2=O)CC1 500421077 FJWQLAJZBZVRID-KRWDZBQOSA-N 410.440 1.731 30 10 HDEE C=CCn1c([C@H]2CCOC2)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 508481377 QEVMRZUIELSSOA-OALUTQOASA-N 404.559 1.199 30 10 HDEE C=CCn1c(-c2cc(C)oc2C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 508815491 BCSSNKBZUYYXFY-UHFFFAOYSA-N 414.510 1.322 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 509454151 NFIJITFWFNYZHR-HNNXBMFYSA-N 400.932 1.815 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cscn2)c(=O)n1C[C@@H]1CCCO1 522531903 SDMMSIPBXLFMIG-JSGCOSHPSA-N 403.529 1.664 30 10 HDEE C=CCN(C(=O)[C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 531208787 HGNXETFGMXQAIE-GDBMZVCRSA-N 414.549 1.242 30 10 HDEE CC1CCC(C#N)(N(C)C(=O)[C@@H](C)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 540822247 GZZKKFZMYQUTBM-NNVNDSJASA-N 410.584 1.110 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@H]1CCCC[C@H]1c1ccccc1 552155837 GMMSAMUECYURTH-WMZOPIPTSA-N 408.506 2.097 30 10 HDEE N#Cc1cnn(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c1 559188525 CKBSIWAPWFMVHR-UHFFFAOYSA-N 413.503 1.167 30 10 HDEE C[C@@H](NC(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CN(Cc2ccccc2)CCO1 586863876 COFLDLMUULJIGK-IERDGZPVSA-N 424.476 1.719 30 10 HDEE N#Cc1nc(C2CC2)oc1N1CCN(C(=O)c2ccc(CN3CCOCC3)cn2)CC1 589300722 XSEMIZOKWIPIAL-UHFFFAOYSA-N 422.489 1.613 30 10 HDEE C[C@](CNC(=O)c1cccc(C#N)n1)(NC(=O)c1cccc(C#N)n1)C(F)(F)F 589797842 VDMYDVYGTXRPPA-QGZVFWFLSA-N 402.336 1.701 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1C#N 604003053 ZMUKFLOTHISGIV-UHFFFAOYSA-N 420.881 1.673 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(Cc3ccnc(C#N)c3)CC2)c1 610991345 AJVWDODZASSCSP-UHFFFAOYSA-N 406.489 1.308 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCC[C@@H](CN2CCCCCC2)C1 728530046 BPMYLOYBIGIBHG-KRWDZBQOSA-N 418.563 1.840 30 10 HDEE COc1cccc([C@H]2C[C@H]2C(=O)OCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 730342059 CRVVSSMJEODVSC-QZTJIDSGSA-N 424.457 1.859 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N/CCc2ccccn2)N(C2CCC2)C1=O 730463410 WYCSNUBPSBXQTI-LRWZUSMTSA-N 403.552 1.545 30 10 HDEE Cc1ccccc1CC(=O)N1CCN(C(=O)CCN/C(O)=C2\N=CC=CC2=O)CC1 733895919 ZEJDLAQAHPSZAO-QURGRASLSA-N 410.474 1.125 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(c3oc(C4CC4)nc3C#N)CC2)[C@H]1c1cccnc1 740923655 LPCBPUQKHWGRKV-QFBILLFUSA-N 420.473 1.687 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C[C@@H](c2ccc(F)cc2)O1 745814450 ZNSNLLXQHGUDKR-OYVAYXJNSA-N 402.426 1.824 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2ccc(-c3ccncc3)cc2F)c1=O 751814958 LASIPQCJTZLWMG-UHFFFAOYSA-N 406.442 1.784 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1 753141347 QHFJZOXUIYRVAX-GFCCVEGCSA-N 415.265 1.928 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H](c1cccc(F)c1)N1CCOCC1 755683535 LBQBRGVZWCBYGX-LJQANCHMSA-N 417.462 1.884 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCO[C@H]2CCOC2)C1=O 757369137 CGRFKTJQXNHFEQ-DOTOQJQBSA-N 416.503 1.821 30 10 HDEE Cn1c(=O)n(CCC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)c2ccccc21 760410281 QUAANQBFMGHKOA-UHFFFAOYSA-N 404.492 1.650 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)c1ccc2c(c1)OCO2 767628979 SWYMUHXLCRYXJX-GFCCVEGCSA-N 416.411 1.380 30 10 HDEE CS(=O)(=O)c1ccc(-n2nnnc2COC(=O)c2ccc(C3(C#N)CC3)cc2)cc1 777173096 BJZDYFWTFDFLMC-UHFFFAOYSA-N 423.454 1.978 30 10 HDEE COc1ccc(-n2cc(CNC(=O)C(=O)Nc3ccccc3O[C@H](C)C#N)nn2)cc1 780059001 JIURUXROIHCALF-CQSZACIVSA-N 420.429 1.822 30 10 HDEE CCc1c(C(=O)Nc2ccccc2O[C@@H](C)C#N)cnc2c1c(=O)n(C)c(=O)n2C 780157806 IUEHJYZJZYBGOZ-LBPRGKRZSA-N 407.430 1.738 30 10 HDEE C[C@@H](NC(=O)COC(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)C(=O)N1CCCCC1 780178663 ZYIKKMOYIVLDMB-JLTOFOAXSA-N 409.483 1.308 30 10 HDEE COc1cc(OC)cc(N2CC[C@H](N(C)C(=O)[C@H](O)c3ccc(C#N)cc3)C2=O)c1 780959037 CDTIHSNTMXBLLY-VQTJNVASSA-N 409.442 1.873 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@@H]3CCC[C@H]3O)CC2)n1 789111659 CLCJFHVPNVFORU-WOJBJXKFSA-N 403.527 1.052 30 10 HDEE CSc1c(C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cnn1C 791831197 XAOMAYCGAGXVQI-UHFFFAOYSA-N 415.294 1.895 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)C(=O)Nc3ccc4c(c3F)CCNC4=O)CCO2)c1 793013384 GZJOMWITULHMOB-SFHVURJKSA-N 422.416 1.522 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N(C2CCCCC2)[C@H]2CCS(=O)(=O)C2)ccn1 795971504 XWYGKEIIHICJSP-KRWDZBQOSA-N 405.476 1.458 30 10 HDEE C#Cc1ccc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)nc1 797581947 BJFOEORVPOOWNM-HXUWFJFHSA-N 400.456 1.675 30 10 HDEE COc1ccc([C@H]2CCCN2C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)cc1OC 798744915 WLWNQRRUVHCKOU-DZGCQCFKSA-N 413.434 1.635 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 802500228 QNCHPSSSILTYCQ-DLBZAZTESA-N 404.492 1.125 30 10 HDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC)[C@H]1CCS(=O)(=O)C1 812042612 IFMCOABAQWGQMU-ZDUSSCGKSA-N 412.475 1.241 30 10 HDEE Cn1nc2c(c1CNC(=O)CC/N=C1/NS(=O)(=O)c3ccccc31)CCCC2 812558799 KWCPAJWYDPFISS-UHFFFAOYSA-N 401.492 1.044 30 10 HDEE C#C[C@@H](NC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)c1ccc(F)cc1 812753240 CKBAAVSHEGACSB-GFCCVEGCSA-N 418.226 1.522 30 10 HDEE CN(CCOc1ccccc1C#N)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921191685 CVUPBAXXIJWKTK-UHFFFAOYSA-N 402.495 1.948 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2noc3c2COCC3)cc1 1125135421 FKIILVBQIMQHHQ-PGMHBOJBSA-N 404.448 1.812 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccc(OCc3nc(C)no3)nc2)c1 1125570217 OITDVASISSJROJ-UHFFFAOYSA-N 405.414 1.726 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1nnn(-c2ccccc2Br)c1C 1127371365 OJRMDYQYUSCYJK-UHFFFAOYSA-N 413.297 1.669 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(O)nc2ccc(S(=O)(=O)N(CC)CC)cc12 1131717780 JAWNATNBCSKVNU-AWEZNQCLSA-N 419.503 1.739 30 10 HDEE N#CCc1cccc(NC(=O)[C@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)n1 1132801411 QVMIUNBUGVJCNR-IBWPDUFMSA-N 403.442 1.889 30 10 HDEE C#CCN1CCCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)CC1 1136862839 DBFKHAAFCNGPLP-UHFFFAOYSA-N 407.521 1.064 30 10 HDEE O=C(/C=C\c1ccc(F)cc1)C(=O)N1CCO[C@H](CN2C(=O)c3ccccc3C2=O)C1 1137638642 OGKWQEFZRASZSM-JEZWAEDTSA-N 422.412 1.932 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@](CC)(C(=O)OC)c1ccccc1)c1cc[nH]n1 1140477672 HGQJCDIHVNVXEV-HXUWFJFHSA-N 416.434 1.288 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)n[nH]2)c1C 1141222268 QJLWEPMSZOODNG-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(S(C)(=O)=O)CC1 1141380763 BYEFLWHPUJKQDP-OAHLLOKOSA-N 403.545 1.730 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3c4ccccc4C[C@@H]3CO)C2=O)cc1 1146793884 KETAFEXKYVVJAG-MSOLQXFVSA-N 404.426 1.713 30 10 HDEE C#CCN1CCCN(C(=O)c2cc([C@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)CC1 1147291229 MLAHLHTWSUUKJZ-INIZCTEOSA-N 401.511 1.915 30 10 HDEE CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1148816112 FLHBDHLKMAAVJA-OCDDVZBJSA-N 400.497 1.933 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCc4nc(COC)nn4C3)n[nH]2)c1C 1149852198 VPIDLMVDKPIEET-CQSZACIVSA-N 410.482 1.559 30 10 HDEE CC(C)(C)OC(=O)N1CCc2occc2[C@H]1C(=O)N1CCN(C(=O)CC#N)CC1 1150000473 LEVFEZSVUBMJRA-KRWDZBQOSA-N 402.451 1.698 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)n1 1156618833 VGIZWPVCAKQDRS-UHFFFAOYSA-N 414.422 1.221 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCN2CC(F)F)cc1S(=O)(=O)NCC#N 1166853981 GOGBJHGHYQNTCJ-AWEZNQCLSA-N 400.451 1.256 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(N3CCN(C(C)C)CC3)CC2)c1 1168838058 LKDCHAROOMNMTH-UHFFFAOYSA-N 411.550 1.806 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1=O 1182823004 MOGJUDCSRVVJEG-DLBZAZTESA-N 421.542 1.101 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)CONC(=O)OC(C)(C)C)c(=O)c1C#N 1183325897 XINNEXUCZPHUGS-UHFFFAOYSA-N 415.244 1.626 30 10 HDEE C=C[C@@H](C)ONC(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 1197440749 OYFBUUPSFBBCBK-MRXNPFEDSA-N 410.478 1.996 30 10 HDEE CC(F)(F)CN1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 1198140676 KTGPKZDPVSBFFL-IBGZPJMESA-N 423.483 1.807 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CCC(N4CC[C@H](O)C4)CC3)CC2)c1 1230534330 DNXZQEZOKMAFEP-QFIPXVFZSA-N 411.550 1.763 30 10 HDEE C#C[C@H](NC(=O)N1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2)[C@@H]1CCCO1 1234627815 WQBLFGFGYYLRDA-IRXDYDNUSA-N 407.511 1.979 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)N(CC)CC(F)(F)F)C2)C1 1248676776 ROWYUMTYRDHPSV-HOTGVXAUSA-N 402.461 1.916 30 10 HDEE C#C[C@@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)C1CCOCC1 1253348276 NWERTWYIWNFLHR-LJQANCHMSA-N 408.520 1.929 30 10 HDEE C[C@@]1(C2CC2)NC(=O)N(CC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)C1=O 1277737186 JUYWMTDPDYPDFZ-QFIPXVFZSA-N 409.490 1.359 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](C)N1CCOCC1 1286283527 SGBQMHDMSJKMIJ-IRXDYDNUSA-N 421.509 1.099 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)NC(C)C)n2CCCOC)c1 1286308548 JPSWZCJBDRJGKC-UHFFFAOYSA-N 412.494 1.509 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC=C 1286364896 NQNKAZUXIZJQTM-UHFFFAOYSA-N 404.492 1.633 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C 1286372327 QKNGXRZJQNZVCL-JYJNAYRXSA-N 416.526 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C 1286408873 GEBQTQJNRRCTTF-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccc(COC)c2)CC1 1286470939 GHBPAMUBNNIBPV-UHFFFAOYSA-N 410.522 1.366 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCN(CC)C2CC2)CC1 1286481262 ASNCDIQBGTUMKM-UHFFFAOYSA-N 413.595 1.873 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CC2(O)CCCCC2)CC1 1286490188 NKAHZKCTXDOZSI-UHFFFAOYSA-N 410.522 1.934 30 10 HDEE C=C(Br)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(=O)NC 1286541615 BDTBZMVXKUPGMW-UHFFFAOYSA-N 410.320 1.621 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286688856 ZNDMIDVPJCVRIG-LSDHHAIUSA-N 415.498 1.058 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCC2(CCCC2)C1 1286788002 OFVSBFGFEGWABP-INIZCTEOSA-N 421.567 1.643 30 10 HDEE CC(=O)NCCCn1c(N2CCC[C@@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1286954301 DTCABKTVWKQVIL-LEWJYISDSA-N 418.542 1.975 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCCCCC2)n1CCN/C(O)=C1/N=CC=CC1=O 1288137765 FUYDXKHJNQAOFG-VLGSPTGOSA-N 415.498 1.323 30 10 HDEE COc1cc(OC)cc(N2C[C@H](C(=O)N3CCC4(CC3)CC(=O)C=CO4)CC2=O)c1 1289361460 HWELJJYTXJHKMB-OAHLLOKOSA-N 414.458 1.921 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(CCC#N)CC1CC1 1299300421 DIOQNHQAQIDEPB-UHFFFAOYSA-N 413.507 1.496 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2cncn2)C1 1300365372 VKMXQGAFVBCKSI-DLBZAZTESA-N 417.539 1.417 30 10 HDEE C#CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1 1300393192 AUCLTOMGDFSADJ-HDICACEKSA-N 408.466 1.184 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 1300423362 NBCGJBOLZQIIQT-SFHVURJKSA-N 416.570 1.797 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1CCCN1CCC[C@H]1C(=O)N(C)C 1300526977 RWSAZGUPFHCJKF-FQEVSTJZSA-N 421.549 1.299 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccc(C)cc1 1300545301 NHUKUJDYVPAGOQ-UHFFFAOYSA-N 418.501 1.212 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](F)COC 1300618224 BDXLSQZHFYJIHI-AWEZNQCLSA-N 408.503 1.682 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@](C)(O)c2ccc(F)cc2)CC1 1300696228 VTSVJPSXWLVVQT-JOCHJYFZSA-N 423.496 1.481 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)COC(=O)N2 1301147121 BEWFAUPVAZSJMV-AWEZNQCLSA-N 402.499 1.910 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC(C#N)CC1 1301499966 HUBHYGWOZOMLTC-SFHVURJKSA-N 408.462 1.833 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC(=O)N2)C1 1301565386 BTHZEZZMYXCLRG-IEBWSBKVSA-N 411.506 1.960 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC(=O)NCC(F)F 1302272622 SJJUNIUHVDRQHR-BBRMVZONSA-N 412.441 1.123 30 10 HDEE C=C(Br)CNC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1311757155 MBPXVTFFTIDLEB-GFCCVEGCSA-N 404.305 1.917 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1313097154 LRNAKCSCGVBBIQ-GOSISDBHSA-N 407.536 1.748 30 10 HDEE CC(C)(C)OC(=O)NCCCOCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 1313123258 SUZLJXZUBDIEDX-UHFFFAOYSA-N 411.499 1.965 30 10 HDEE CO[C@H](Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1)C(C)C 1315211909 UJOALFLJHURCMW-CZUORRHYSA-N 402.455 1.406 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCNS(C)(=O)=O)cc1OC 1315381850 CDWLJHAOEBKWBC-ZDUSSCGKSA-N 422.511 1.107 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCCOCC3)n2C[C@H]2CCCS(=O)(=O)C2)c1 1316530303 HGZCKSWDVYTHDT-QGZVFWFLSA-N 415.519 1.868 30 10 HDEE COC(=O)[C@H](Sc1nnc(C[C@H]2CCS(=O)(=O)C2)n1C)c1ccc(C#N)cc1 1330305637 FTQZYCXGDAWYHR-CZUORRHYSA-N 420.516 1.670 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 1348501764 READGQMKLKRNOQ-MSOLQXFVSA-N 422.503 1.287 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NCc1ccc(CCNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1 1354962761 IIFIKNFNFDTYEN-QAHMESRPSA-N 410.514 1.976 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@]1(O)CCOC1 1358870123 GFZZMYCNANJWOF-XOBRGWDASA-N 417.897 1.471 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CC1(C(=O)NCC)CCC1 1358874363 WSKUJTDSHNKMGJ-IERDGZPVSA-N 403.527 1.695 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1358933072 GWEFEHPSHULHIG-QGZVFWFLSA-N 404.540 1.567 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@H](C)C1 1358937850 JKPBRJDCRRGQMC-BXWFABGCSA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1358945480 IMEBSULBXCOABT-WBVHZDCISA-N 402.524 1.547 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CCCN1CCC(O)CC1 1358974067 QBKBEXGJDKPZNM-UHFFFAOYSA-N 407.518 1.873 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC([C@@H]2CCOC2)CC1 1359055549 HIFDCOSHVMERBT-IAGOWNOFSA-N 403.552 1.849 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1359133649 XANMASZXJRWKIL-GOSISDBHSA-N 418.542 1.713 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1359136951 ZZGYDSDRBAVWBA-UTKZUKDTSA-N 422.526 1.912 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1C[C@H](CC)[C@H](N2CCOCC2)C1 1359303689 XHLBBJZZTNNALT-ZWKOTPCHSA-N 402.543 1.080 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2NC(=O)CC2(C)C)C1 1359323691 VFKXKHLNGGHDRN-QZTJIDSGSA-N 410.522 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@](C)(C#N)C1 1359332479 YPRPKVVWOAAUBR-APWZRJJASA-N 407.540 1.903 30 10 HDEE COc1ncc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1C#N 1439468041 FJHSSCHVKKEXOF-UHFFFAOYSA-N 402.432 1.235 30 10 HDEE CN(C)[S@](C)(=O)=NC(=O)c1ccc(NC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 1454151469 IWQWOMBPTLQASN-YMGMXPECSA-N 400.460 1.945 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC[C@H](n4ccnn4)C3)C2=O)cc1 1461059963 XFFYZRZHZFXYNI-DLBZAZTESA-N 407.434 1.218 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)c3ccc(-n4[nH]c(O)nc4=O)cc3)CC2)c(F)c1 1467847884 POHXURULANABBN-UHFFFAOYSA-N 423.404 1.961 30 10 HDEE COC(=O)[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)Oc1ccc(Br)cc1 1467918845 FYYPGTJPSYYZIT-PBHICJAKSA-N 411.252 1.806 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](CC2(OC)CCC2)C(=O)OCC)c1 1469812283 NMZWLOIASPMGHI-QGZVFWFLSA-N 422.503 1.219 30 10 HDEE C#CCN(C(=O)NCc1nc(C(F)(F)F)n2c1CCCC2)[C@@H]1CCS(=O)(=O)C1 1471108828 MJLOZBCRDQXNNC-GFCCVEGCSA-N 418.441 1.570 30 10 HDEE COc1ccc(C(=O)c2ccccc2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1472036545 WLNSDNOQZUGSAR-AOMKIAJQSA-N 424.478 1.937 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)C2(C(=O)OCC)CCOCC2)cc1 1472167695 ARUCUDYSSDVEFC-HNNXBMFYSA-N 422.503 1.076 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C(=O)OC 1475579513 ULNHXFFFNOYQCF-INIZCTEOSA-N 416.521 1.257 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1ccc(C(=O)OC)c(C(=O)OC)c1)C(=O)OC 1475688813 OCEDZPUHPLMULV-OAHLLOKOSA-N 413.448 1.436 30 10 HDEE COC(=O)c1cnc(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)s1 1478420121 NJPYJSBNZJPJNE-CQSZACIVSA-N 413.459 1.796 30 10 HDEE C#CCN(C(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1)[C@H]1CCS(=O)(=O)C1 1479134400 WHHSOJHOVTUOSQ-PMACEKPBSA-N 419.547 1.028 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CCOCCCO)CCOC1 1502689145 WCNMLLPQWCXWQQ-VQTJNVASSA-N 407.515 1.459 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1503942857 FQOJAJKONMIHRV-HFTRVMKXSA-N 410.478 1.478 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@](C)(O)CCOC)[C@@H]1CCS(=O)(=O)C1 1507623639 UZMDIGKFQAACSJ-GPMSIDNRSA-N 412.556 1.206 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@H](C)N(C)C1CC1)[C@@H]1CCS(=O)(=O)C1 1507633389 DHYVZDDAVJHYKQ-MAUKXSAKSA-N 405.568 1.340 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 1507634446 NIQBWTKCPKXLPU-ZWKOTPCHSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nnc(C(C)(C)C)s1 1507667961 VKIDIJIQINEHHB-AWEZNQCLSA-N 411.535 1.889 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1nccs1 1507703618 DBFOZCKGWVOXRJ-IBGZPJMESA-N 405.524 1.910 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1507731602 NBIXMRQLHZMOTL-VQTJNVASSA-N 414.554 1.533 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1508079854 FFXYEDCSLUVXET-CQSZACIVSA-N 409.454 1.113 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](OCC=C)C1 1508084856 QBNBDWJLAKSZTO-INIZCTEOSA-N 402.524 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1508144443 DOJLODAPCKRRRE-CQSZACIVSA-N 424.527 1.526 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(Cc2cccnc2)n1C[C@H]1CCCCS1(=O)=O 1508421760 DDIBHMYKBALHIV-DOTOQJQBSA-N 402.524 1.827 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@H]1N(C)CCCC1(C)C 1509637270 FZCRTFFGNQKUIU-FOIQADDNSA-N 405.522 1.979 30 10 HDEE C[C@]1(Cn2c(CN3CCCC3=O)nnc2N2CCC(CC#N)CC2)COCCO1 1510351459 ZOPCPDRYZLDAGX-FQEVSTJZSA-N 402.499 1.336 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)Cc2nc(C3CC3)nn2C)c1 1516186619 ZKEAMORKRURNRU-XQNSMLJCSA-N 416.507 1.687 30 10 HDEE Cn1cc(-c2nnc(N3CCCC(C)(C)C3)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1517369594 GESIHJKZCMCCOL-HTXNQAPBSA-N 424.509 1.831 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1518750563 SFYOYBDSXVNXRH-GOSISDBHSA-N 424.484 1.861 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2cc(C)nn2C)C[C@H]1OC 1519498762 FLYNKTGGYQLLLU-KDURUIRLSA-N 407.478 1.757 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccc(Br)cc3)n2)CC1 1524476509 KYQRDTDWTNDATH-UHFFFAOYSA-N 416.279 1.631 30 10 HDEE COCc1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c(-c2ccccc2)s1 1537006037 PPERRBVQFZKGSF-IFXJQAMLSA-N 417.512 1.967 30 10 HDEE Cc1nn(CCC#N)c(C)c1OC(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1537509235 MJOXVGFYURANFM-OAHLLOKOSA-N 419.482 1.787 30 10 HDEE Cc1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)cc1F 1538540420 WFEFKXDBPRZTRR-LIRRHRJNSA-N 418.450 1.514 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccnc1N1CCOCC1 1539013757 NPXOTGUASVNOPX-IEBWSBKVSA-N 410.522 1.910 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1539030894 UZFKPQDABWYXKB-ZUIJCZDSSA-N 417.535 1.658 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(C)nc1 1539250419 NDFXDFLXCCNOAX-UHFFFAOYSA-N 409.457 1.745 30 10 HDEE COC(=O)[C@](C)(Cn1cccn1)NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C 1539286481 DBZCQQDCEPGVEK-LIRRHRJNSA-N 407.471 1.518 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@](C)(CC)C1 1539517278 LDZVWVONALUXDJ-MAUKXSAKSA-N 412.581 1.552 30 10 HDEE C=CCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1539991665 PSVNAJIGMXHCKO-UHFFFAOYSA-N 423.521 1.577 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N(C)C1CCN(CCC)CC1 1540872490 QXKFKMFEFVDQBA-UHFFFAOYSA-N 411.554 1.877 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1540948166 DWZDXKXEDXSSFQ-LJQANCHMSA-N 421.505 1.387 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC2(O)CCC2)C1 1541990286 DEKKRIXLBMKBIY-YJBOKZPZSA-N 407.540 1.615 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1 1543334735 CECMUKZGRYWOAW-DYTRJAOYSA-N 408.524 1.550 30 10 HDEE CN(C)C[C@@](C)(C#N)NC(=O)c1cnn(C(C)(C)C)c1I 1544116850 IKVCBEKWKXJPQF-CQSZACIVSA-N 403.268 1.816 30 10 HDEE C[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)NCC(F)(F)F 1544936965 JNENYKCAMGUBHY-GFCCVEGCSA-N 405.417 1.820 30 10 HDEE CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1546713892 PXLOFELSKLDKIT-MGPQQGTHSA-N 422.511 1.405 30 10 HDEE COCC1(Cn2c(-c3cccc(C)n3)nnc2N2CCO[C@H](C#N)C2)CCOCC1 1555300765 FVQRSSRJWZMRTM-QGZVFWFLSA-N 412.494 1.821 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)N1CCCCC1 1555636022 FRHGPLHBKGRPCP-JXFKEZNVSA-N 422.505 1.847 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(N2CCOCC2)CC1 1555636383 JLBXRAUCMANXNN-QFBILLFUSA-N 422.505 1.309 30 10 HDEE COc1cc(NCCCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)ncn1 1557143425 QQPKGNTXHQMKBZ-UHFFFAOYSA-N 407.427 1.154 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2[C@H](OC)CS(=O)(=O)[C@H]2C1 1557534212 OHYQHPSBYZGLHD-JONQDZQNSA-N 416.540 1.506 30 10 HDEE CC1(C)Cc2n[nH]cc2CN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1557712267 XXALPCZFHFDCGB-UHFFFAOYSA-N 415.519 1.840 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCSC[C@H]2c2nn[nH]n2)CC1 1567808981 KJQGAUOXJOBMMN-AWEZNQCLSA-N 406.512 1.467 30 10 HDEE COCC[C@H](NC(=O)Cn1cc(C#N)c(O)nc1=O)c1cccc(C(F)(F)F)c1 1569081907 FWQHTYJORWNDQF-AWEZNQCLSA-N 410.352 1.733 30 10 HDEE Cc1ncc(Br)cc1NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1569429932 FXMLJGNQDNARIU-UHFFFAOYSA-N 409.265 1.941 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1cccc(O[C@@H]2CC(=O)N2)c1 1570300484 PGPYNVWYOLHNEE-KPZWWZAWSA-N 414.443 1.089 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 1583612644 ZYUJJMIYTIAXQE-HNNXBMFYSA-N 416.411 1.837 30 10 HDEE CNC(=O)C1CCC(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 1584618120 SWYGFZNJCXMDCR-DQPZFDDXSA-N 411.462 1.184 30 10 HDEE C#CCC1(NC(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cn2C)CCOCC1 1584620972 UXYAYSCDCVLHGF-MRXNPFEDSA-N 407.536 1.748 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCN1CCCS1(=O)=O 1587602742 CFAJOVPTMBQNLL-MRXNPFEDSA-N 424.530 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CC(=O)Nc1c(C)cccc1C 1588074747 QTNGGFNPVZYCMF-UHFFFAOYSA-N 418.501 1.842 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1C[C@@]1(C)CN(C2CC2)C1=O 1588155049 MEQLOZWZHJILSY-OAQYLSRUSA-N 408.531 1.718 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCNc1ccccn1 1588385246 GUIOYWZUQRVCEG-INIZCTEOSA-N 402.524 1.537 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)cc1 1588774831 HOPTUJCFAJTUQF-LLVKDONJSA-N 415.340 1.167 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCCO)CC1 1588929598 DLPWHVDTFJWSND-LJQANCHMSA-N 417.554 1.691 30 10 HDEE C#CCSCCn1c(CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1589078678 WIDQJYNXODDMFO-IBGZPJMESA-N 420.627 1.438 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1594760135 FEDFTZPWGLYYNX-AWEZNQCLSA-N 423.564 1.859 30 10 HDEE C#CCN(CC(=O)N[C@@](C)(CO)Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C 1594932997 RZLLPKRBJHTHEI-JOCHJYFZSA-N 420.506 1.984 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC2CC2)CC1 1595500669 AZPJATYLBODBAJ-UHFFFAOYSA-N 405.506 1.651 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 1595608289 QGDITWHXNHORHY-DFEOGRTESA-N 419.526 1.310 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCO[C@@H](C#N)C1 1595778098 WMIFDMAOPNNBRO-INIZCTEOSA-N 401.492 1.583 30 10 HDEE CCN1C[C@H](NC(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C(C)(C)C1 1597517732 VMDJGUUTPKSPGK-WMZOPIPTSA-N 420.579 1.986 30 10 HDEE O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N(O)CCCCc1ccccc1 1611653055 BJLFGYWGMLRHBS-INIZCTEOSA-N 407.492 1.393 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2Cc2nnc3n2CCC3)CCOC1 1616124056 BMVYOUKNXUHBTA-AUUYWEPGSA-N 400.487 1.255 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCOC[C@@H]1C 1617370365 VQPVDZBKYJAHCV-HNNXBMFYSA-N 418.523 1.371 30 10 HDEE CN(C)CCOCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1617697463 ITBPCQAUXOCDFH-IBGZPJMESA-N 417.445 1.873 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(C(N)=O)CC3)n2C[C@@]2(O)CCSC2)c1 1620347773 CGSPQQHDMQPGGO-FQEVSTJZSA-N 412.519 1.386 30 10 HDEE C=CCN(C(=O)c1cc(-c2c(C)nn(CC=C)c2C)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1625390554 ZWBNCQAKFCQOBR-OAHLLOKOSA-N 403.508 1.891 30 10 HDEE C=CCOc1cccnc1C(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1626727920 URIKIFJPNAYRFS-UHFFFAOYSA-N 420.447 1.605 30 10 HDEE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[C@H]1CCN(O)C1=O 1628369855 DDIWZFKSAQOKMY-HNNXBMFYSA-N 410.459 1.528 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1628385799 FAXLEBCAURJYSE-ZELHOUEFSA-N 410.446 1.224 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)N1CCN(c2ncccc2C#N)CC1 1629068403 FVVMGSHBNOCPHI-QGZVFWFLSA-N 414.510 1.153 30 10 HDEE CN(C(=O)CCn1cc(C#N)c(O)nc1=O)C1CCC(NC(=O)OC(C)(C)C)CC1 1630235011 AZKGGSDHALQXNM-UHFFFAOYSA-N 419.482 1.505 30 10 HDEE O=C(CC[S@](=O)c1ccc2c(c1)OCCO2)NCc1ccc(C(=O)NO)cc1 1634100367 WTAGTKQRRAOKEP-NDEPHWFRSA-N 404.444 1.391 30 10 HDEE CCN(CC(=O)N1CCCCCC1)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1636045653 NQXDUKWGLGHXAY-UHFFFAOYSA-N 409.483 1.988 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C1CCN(C)CC1 1637068787 BGSKPQAYRBFKNK-GOSISDBHSA-N 420.554 1.894 30 10 HDEE CCOC(Cn1ncc(C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)c1N)OCC 1637816977 LWKKMWNMEAMYOG-GOSISDBHSA-N 413.478 1.950 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C[C@@]1(C)NC(=O)NC1=O 1640482856 DSIYZDZBOGFAJC-PJSUUKDQSA-N 406.483 1.272 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(O[C@H]3CC(=O)N3)cc2)ccc1F 1640601217 CUSMGKNCUJJFNN-SFHVURJKSA-N 419.434 1.767 30 10 HDEE C#CC[C@H]1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1643563165 UWTVAVFOAAFLGS-KRWDZBQOSA-N 423.966 1.908 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H](CO)C[C@H]2CCCO2)C1 1644831087 MEQXRCDQKVQCAS-HZPDHXFCSA-N 408.296 1.803 30 10 HDEE CN(CC(=O)NCc1ccc(N2CCCC2=O)cc1)C[C@H](O)c1cccc(C#N)c1 1647116395 NLYBGCKQNXMKFF-NRFANRHFSA-N 406.486 1.967 30 10 HDEE COC(=O)CCN(CC#N)CC(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C)C2 1648076967 QZAAHJUBPPNILO-LBPRGKRZSA-N 407.492 1.987 30 10 HDEE CC(C)(C(=O)N[C@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1cc(F)cc(C#N)c1 1648280347 WJDPEKOPUDZEDU-FOCKTWCOSA-N 421.494 1.302 30 10 HDEE CC(C)(C)OC(=O)NCCCCCCC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648786852 ARZLVVZJNWFWIT-UHFFFAOYSA-N 419.482 1.679 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(C)nc3ccccc23)n1CCNS(C)(=O)=O 1649540846 ZLKHWJYVCMFHNC-HNNXBMFYSA-N 412.519 1.809 30 10 HDEE C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CCCON2C(=O)c3ccccc3C2=O)C1=O 1652353437 NGRABCHOLLSTIT-QFIPXVFZSA-N 418.409 1.943 30 10 HDEE COc1ccc(SCCCC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)cc1 1653759616 DQHNCBVVOIDZDY-UHFFFAOYSA-N 400.460 1.785 30 10 HDEE CNS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCc3cc(C#N)ccc32)c1 1669803715 HQBZLNZCWYBIOS-SFHVURJKSA-N 405.501 1.822 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1 1673799938 XEIONVQNODKRKW-HOTGVXAUSA-N 412.512 1.289 30 10 HDEE C#CC[C@@H](CO)NC(=O)NCCCNC(=O)c1cc(OC)ccc1Br 1681603936 BPJNAXZWWBGVFQ-LBPRGKRZSA-N 412.284 1.261 30 10 HDEE CCN1CCN(C(=O)CC2CCN(C(=O)NCc3nc(C#N)cs3)CC2)CC1 1685525101 RTFSAFOGWWGVLR-UHFFFAOYSA-N 404.540 1.491 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3ccc(-c4nncnn4)cc3)CC2)nc1 1686940952 QBQXRNGCSCKHIM-UHFFFAOYSA-N 401.434 1.232 30 10 HDEE N#C[C@]12CN(C(=O)NCc3cc(C(F)(F)F)cc(Cl)n3)C[C@H]1CS(=O)(=O)C2 1687504736 MAXSBHPNRXWWGY-IINYFYTJSA-N 422.816 1.834 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCC[C@H]1C 1689838994 BJBZMZZSKLUHDE-IAGOWNOFSA-N 405.510 1.863 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1N1CCOCC1 1689848972 DYIYDSBKJBFHFL-HKUYNNGSSA-N 422.533 1.880 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCc1cccc(C(=O)NC)c1 1689943772 BZZQSLBCEFVXHI-UHFFFAOYSA-N 410.522 1.868 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1690059005 GXRAOQBTRQICGX-MRXNPFEDSA-N 418.567 1.771 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](OC)c1ccc(F)cc1 1690101997 AAOHDBMQWVULQZ-ROUUACIJSA-N 415.469 1.842 30 10 HDEE C=C(C)COCCn1c(N2CCC[C@H](C(N)=O)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690320685 ZTYCEKIZFHJSJK-LAUBAEHRSA-N 421.542 1.613 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C(F)F)C1 1690723605 WSKRWTPMCIFOMA-OLZOCXBDSA-N 417.482 1.312 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1705532173 HSEIOTPOGINRNH-MOPGFXCFSA-N 414.554 1.328 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1705544213 IANIBDAMJCAEJT-CQSZACIVSA-N 404.492 1.466 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2C)n1CCS(=O)(=O)N1CCSCC1 1705548459 ICWXCFDSBNQEDC-UHFFFAOYSA-N 419.576 1.702 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@]1(O)CCc2ccccc21 1705574646 JHSSSSVDTDCNGG-DNQXCXABSA-N 420.513 1.837 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCOC[C@@H]1OC 1705667238 KUJDHEDJGPOJLB-XGHQBKJUSA-N 401.511 1.558 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H](COC)OC 1705669848 YYNBGVYXWHXLKH-DUXKGJEZSA-N 406.527 1.972 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@H](C)C1 1705698262 RLWLNUAYWMYEIH-UUAJXVIYSA-N 411.572 1.962 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(OC)CCOC2)CC1 1705781911 KEVYYHJNBHTPHK-QFBILLFUSA-N 410.540 1.388 30 10 HDEE C=CCCOCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCS(=O)CC1 1705830131 JREITWWVYXZUSP-SFHVURJKSA-N 418.519 1.952 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CC(=O)N1CCOCC1 1705836219 KIUSVQCTCAUICT-UHFFFAOYSA-N 423.315 1.527 30 10 HDEE C=CCN(c1nnc(-c2ccccc2OC)n1C[C@@]1(O)CCS(=O)(=O)C1)C1CC1 1705851800 BAYGVHRILGYGLD-FQEVSTJZSA-N 418.519 1.658 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1705900220 UVJICNGSLBRVBN-UHFFFAOYSA-N 421.509 1.309 30 10 HDEE COc1cc(Cl)ccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(C)=O 1711682593 ZPYQCLSMLBBHPA-OAHLLOKOSA-N 418.885 1.862 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1722312357 ABIQCWAIMRSGKY-UHFFFAOYSA-N 421.505 1.071 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCC(=O)N(C)C 1722351591 KEUUDZAPOBTGEW-UHFFFAOYSA-N 410.526 1.390 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC[C@H]1C[C@H](F)C1)[C@H]1CCS(=O)(=O)C1 1722359698 ADLIKPICNDRZCC-JYJNAYRXSA-N 418.498 1.500 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC(F)F 1722430421 FLWNEOOKSHJRPZ-UHFFFAOYSA-N 415.404 1.435 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCO[C@@]2(CCO[C@H]2C)C1 1722457438 DUKBHXBYCNTTAL-KXBFYZLASA-N 400.508 1.486 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1CC1CCS(=O)(=O)CC1 1722665205 HOGNPWZYDFKMRH-HXUWFJFHSA-N 424.567 1.933 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@@]2(CCOC2)C1 1722737445 GVDFTEINQHBFMQ-KXBFYZLASA-N 404.540 1.982 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCCS(=O)(=O)C1 1729584012 HQDAXJHBIOUYOH-MRXNPFEDSA-N 402.524 1.848 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1csc(CC)n1 1740533451 ROCPZRVCNDPWHH-STQMWFEESA-N 410.569 1.608 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@H](C)C1 1740562943 PINHLWILQZAKJV-ZRNYENFQSA-N 419.570 1.961 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1conc1COC 1740601985 CAEPKVHSLLJJOE-UHFFFAOYSA-N 415.475 1.601 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H]1CCC=CO1)[C@H]1CCS(=O)(=O)C1 1740628820 UUPKAQSCMQAVRL-GVDBMIGSSA-N 406.508 1.449 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1740668133 DLGRIRLBEBKZPM-FQEVSTJZSA-N 422.533 1.569 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1740689073 YVPJKAMMCUYJPB-UNMCSNQZSA-N 415.538 1.692 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(c2ncccn2)CC1 1740955614 ACIHGNKENLGRQQ-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1741798614 CXXIJELGRKFCBV-HZSPNIEDSA-N 402.455 1.284 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3cccnc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1741983526 CDXBPRUDKPVNJV-KXBFYZLASA-N 400.508 1.905 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1CCSCCCO 1744692452 QHEGFGPGFNERME-UHFFFAOYSA-N 401.540 1.549 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(OC)CCC(C)CC1 1748639355 FZHMZSQZLJWPQM-BWRBCVJASA-N 411.572 1.942 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1748766570 RXEYTSYHKJIVSJ-UKRRQHHQSA-N 410.569 1.322 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1748835418 BGTDGGHPQDBPBI-UHFFFAOYSA-N 414.469 1.425 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cn(C)c3ccccc23)n1CCS(=O)(=O)NC 1748841262 WGXFOBPWDXIHPX-UHFFFAOYSA-N 410.503 1.059 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1COc2ccccc2O1 1748875066 IKXUUEAXTKGPOJ-UEXGIBASSA-N 422.485 1.915 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1749019874 DYPXPTAJRVCEGD-IRXDYDNUSA-N 402.568 1.553 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2cnn(C)c2)nnc1[C@@H](C)NS(C)(=O)=O 1749141358 YSZCCSVBOFPNHF-IPYPFGDCSA-N 409.516 1.347 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1749363500 FLKPSMRHUJYIOM-GJZGRUSLSA-N 409.556 1.845 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1749420768 BRWOHVOGNOSVNL-OAHLLOKOSA-N 410.486 1.177 30 10 HDEE C=CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1749427530 ROZWTWKHWINBLT-QGZVFWFLSA-N 416.526 1.019 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCNC(=O)C2CCC2)cc1 1750383288 RTRPUXKQFZCRKW-UHFFFAOYSA-N 421.505 1.449 30 10 HDEE CC(C)C(=O)NCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1750570945 ALQMFYURZAJMGG-INIZCTEOSA-N 400.458 1.509 30 10 HDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1)N(C)C 1751132437 GAPKNXQJZZIUQH-QAPCUYQASA-N 416.551 1.638 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1CCCCO1 1751207478 BTEMRGPSLXEEFO-ZBFHGGJFSA-N 410.544 1.587 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CC(F)(F)CO2)CC(=O)N1C 1752318027 DMQSPSHFDJDUNE-XJKSGUPXSA-N 416.432 1.908 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)C[C@@H]2CCCCO2)CC1 1759988239 ASRRAMAGGBOZNV-NHHWGVFUSA-N 400.519 1.822 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2CCCN2CCCO)c1 1760128677 PGHJIKQPSUPMGF-FQEVSTJZSA-N 424.549 1.744 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)NC(=O)OC(C)(C)C 1760161783 QJCKZSOBGMVTMU-UHFFFAOYSA-N 404.515 1.887 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1C[C@@]1(OC)CCOC1)[C@@H]1CCS(=O)(=O)C1 1760183003 NXJYSIDYXXPWPJ-MDZRGWNJSA-N 410.540 1.224 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCC[C@@H](O)C1 1760208891 MLDBCCHHQMOWFQ-QZTJIDSGSA-N 406.490 1.939 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(OC)CCCCC1 1760218570 JKKAJEIJUVJSHO-GOSISDBHSA-N 418.563 1.992 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCN(C2CC2)C1 1760495561 RFMUMORZRVOZRB-SJORKVTESA-N 405.568 1.843 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760514094 QZZKHRKUWACIGT-ARFHVFGLSA-N 411.572 1.853 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C[C@@H]1CCCO1 1760527072 MHZSJAJOUKAXLA-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(F)(F)F)C1 1769050956 BZBADPPAJDIZNF-AWEZNQCLSA-N 418.383 1.761 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1Cc1conc1COC 1769285076 IVVUPYHVROQHLD-UHFFFAOYSA-N 423.477 1.962 30 10 HDEE COC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCc2n[nH]c(C)n2)CCO1 1769488323 CDQMLDQOMOAMHU-QGZVFWFLSA-N 408.466 1.338 30 10 HDEE COCCN(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1769774959 DYGLYOYISXCPMI-GOSISDBHSA-N 411.510 1.097 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1772564041 QLYDWPIYAKPBAK-KRWDZBQOSA-N 424.553 1.989 30 10 HDEE CN(CC#CCNC(=O)[C@H]1CCCN(c2cnn(C)c(=O)c2)C1)Cc1ccccc1 1850326425 QICWRYUVZSXUSH-FQEVSTJZSA-N 407.518 1.248 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)COc3ccc(OC(F)(F)F)cc3)CC2)n1 1852156885 CNEWMJSWJZCVDX-UHFFFAOYSA-N 407.352 1.974 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ncc3c(n2)CCN(C(=O)OC(C)(C)C)C3)CC1=O 1852499357 IBHVMQTWNFAGJO-ZDUSSCGKSA-N 401.467 1.743 30 10 HDEE Cn1ncc(C(=O)OCCN2CCN(c3ncccc3C#N)CC2)c1Br 1852535360 YXQQIWMCGXBXFK-UHFFFAOYSA-N 419.283 1.428 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1852895518 FWTXTGICQITTIC-AWEZNQCLSA-N 400.501 1.312 30 10 HDEE Cn1cc(C#N)c2cc(C(=O)N3CCN(C(=O)c4cnn5c4CCCC5)CC3)cnc21 1853231453 SKTSMFKMTNVZHX-UHFFFAOYSA-N 417.473 1.576 30 10 HDEE C=CCN1C[C@@H](C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1=O 1853333630 QTOIEFMAZGSZRO-AZUAARDMSA-N 413.474 1.216 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCC(Oc4ccsn4)CC3)C2=O)CC1=O 1853652385 AIQNCBDRBSPTTI-ZBFHGGJFSA-N 418.519 1.148 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)C2)cc1 1854009958 HQSNSALATIMKQP-UHFFFAOYSA-N 412.471 1.750 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccc(F)c2)C(=O)[C@@H]1C 1854256353 MXTDYWADMRYMBB-MAUKXSAKSA-N 423.510 1.614 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](c3ccccc3)S(=O)(=O)CC2)CCC1=O 1854357625 RPSAIMJWFWDWQE-AEFFLSMTSA-N 403.504 1.527 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(N3CCCCCC3)cc2)CCN1S(=O)(=O)CC#N 1854709893 PUYYYAMKNYXUBV-MRXNPFEDSA-N 418.519 1.593 30 10 HDEE C=CCN1CCC([C@@H]2CC(=O)N(C(=O)[C@@H](C)n3nnc4ccccc4c3=O)C2)CC1 1855064754 NERZGOQBHKBGSG-NVXWUHKLSA-N 409.490 1.626 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@@H](N3CC[C@H](C)S(=O)(=O)CC3)C2=O)cc1C#N 1855427727 VDPXFUWZFCRYRT-QFBILLFUSA-N 417.531 1.897 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3sc(C)nc3C)C(C)(C)C2=O)CC1=O 1856096690 PJVUVYSEPHMBHK-OAHLLOKOSA-N 404.536 1.744 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(C[C@H]2CCC(=O)N(C(=O)CCc3ccc(C#N)cc3)C2)C1 1856452781 UVKSPBOMUQTCIX-RTBURBONSA-N 417.531 1.375 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CCC(Cn4cncn4)CC3)CCC2=O)ccn1 1856512080 SNZDWEKEKMYVPR-QGZVFWFLSA-N 407.478 1.336 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)c3cc(C4CC4)on3)C2=O)CC1 1857071416 LTQIGDVQUQTDMK-KRWDZBQOSA-N 406.446 1.382 30 10 HDEE N#CCC1CCN([C@H]2CCN(C(=O)CCCS(=O)(=O)c3ccccc3)C2=O)CC1 1857356527 JSRFLJVGJNHTGE-IBGZPJMESA-N 417.531 1.994 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)C3CC4(COC4)C3)C2)C1 1857461645 XACNAGAOXLJRCF-HNNXBMFYSA-N 410.474 1.208 30 10 HDEE COc1ccc(S(=O)(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)c(OC)c1 1858320515 APVABQHWOMBQTD-INIZCTEOSA-N 415.471 1.768 30 10 HDEE C#CC1(O)CN(C(=O)C2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)C1 1984760059 PKRZEXKZJBLABN-UHFFFAOYSA-N 413.518 1.752 30 10 HDEE CN(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985193475 DWFDYKAPPAAIOC-RTBURBONSA-N 415.538 1.678 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1nnc(SCC(=O)O)s1 2124005221 YFKVJTKDSRGGEO-VIFPVBQESA-N 400.482 1.960 30 10 HDEE COC[C@]1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCCN(C(=O)OC(C)(C)C)C1 2174781742 IVGQMOZHWSWEAK-PBHICJAKSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)N(CC#N)CC(F)(F)F 2181054429 XDGKSXMSBWVQJZ-LLVKDONJSA-N 413.418 1.325 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CCO2 2237809107 XNRYJPXCXWKDAT-VKJFTORMSA-N 401.529 1.728 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(N)=O 2243064323 QAEDAWDDLFNYAR-ZDUSSCGKSA-N 407.276 1.138 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247814103 OCPHSXCMOQARJX-CHWSQXEVSA-N 418.303 1.304 30 10 HDEE CC(C)(C)OC(=O)NCC1(O)CN(C(=O)c2occc2B2OC(C)(C)C(C)(C)O2)C1 2247836977 LEUSIARTVLKRTO-UHFFFAOYSA-N 422.287 1.290 30 10 HDEE Cn1cc(C(=O)N2CC[C@H]2CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2247837422 RTPHAWHSUYIFII-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248440373 GWXDTRCMSMYZEB-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NOCCNC(=O)OC(C)(C)C 2248969184 YVRPDHOAMSMZBE-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC3(CC2)OCCO3)OC1(C)C 2255776392 BNYFLXUQKVHTIH-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE C#CC[C@H](O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267354595 CAIKLXDATUDCIQ-JTQLQIEISA-N 405.734 1.363 30 10 HDEE CN1CC[C@@](O)(CNC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C1 2281945983 UKVWMLWNRWKBTF-QGZVFWFLSA-N 400.737 1.497 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CNCCOC3)sc2Cl)OC1(C)C 2281959661 PGBUWFKXUKAOPF-NSHDSACASA-N 400.737 1.667 30 10 HDEE Cn1nc(C(=O)N[C@H]2CCCC3(CC2)OCCO3)cc1B1OC(C)(C)C(C)(C)O1 2281972841 PPZNGOZYTIEDLH-AWEZNQCLSA-N 405.304 1.525 30 10 HDEE COC1(OC)CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282304135 GUZXIRQPNOMBLL-UHFFFAOYSA-N 423.749 1.694 30 10 HDEE C[C@@H]1C[C@H](CN)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282331871 SSHTYHJIWJADKV-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE C[C@@H]1CNCCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282493971 YPHVOPJPWLRIGI-GFCCVEGCSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC[C@@H]2CC2(F)F)OC1(C)C 2282507374 GRFUEHHUIGFIEZ-SNVBAGLBSA-N 408.301 1.907 30 10 HDEE C[C@@H]1CSCCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2282512372 SDZPELYDSKKUDD-LBPRGKRZSA-N 418.415 1.957 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1 2282524115 AHLIWSBUGHJSNB-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE CO[C@]1(CO)CCN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282621831 XMCJMPRCTLEWGB-QGZVFWFLSA-N 401.721 1.924 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NCC[C@H]3CCNC3)cc2Cl)OC1(C)C 2282826372 QVPNNXPGNNMDBD-LLVKDONJSA-N 420.793 1.979 30 10 HDEE CO[C@@H]1CC(=O)N(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282826722 SXANEWYDVTXJDJ-LLVKDONJSA-N 401.315 1.292 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CCC[C@@H]1O 2282831005 CXTAPEAIUNLCCB-STQMWFEESA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1c[nH]c(=N)s1 2282832750 BXPIXDPRXLYKSL-UHFFFAOYSA-N 415.371 1.703 30 10 HDEE Cc1cc(S(=O)(=O)NCC2(CN)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282832784 CLJVDZOLCSKLPI-UHFFFAOYSA-N 400.375 1.763 30 10 HDEE CC1(C)NCC[C@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282850373 ODXHKBIMKOAZST-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE C[C@H]1CCC[C@H](CN)N1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282851637 FAWKEZFSAXPKPA-QWHCGFSZSA-N 400.375 1.938 30 10 HDEE CO[C@H]1COCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282861229 LMNHHYHSZDBODV-STQMWFEESA-N 403.331 1.130 30 10 HDEE CSCC1CN(S(=O)(=O)c2nc(C)n(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282870451 SGBXKNZOUYVWOK-UHFFFAOYSA-N 401.363 1.011 30 10 HDEE CS[C@@H](C)[C@@H](NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284369355 WTMFJRGODLOGBI-GXSJLCMTSA-N 400.331 1.685 30 10 HDEE CO[C@H](C)[C@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284386555 FYOUQTLFCGKWFD-KCJUWKMLSA-N 403.693 1.919 30 10 HDEE CCC[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284411123 GPMTXTFWPROYOF-SNVBAGLBSA-N 404.319 1.115 30 10 HDEE CC(C)(C)OC(=O)NCc1nc(CNS(=O)(=O)c2ccc(C#N)nc2)cs1 2286722570 UAMSKJGGSAYPKX-UHFFFAOYSA-N 409.493 1.913 30 10 HDEE COC(=O)C(OC(=NS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(=O)OC 2313630134 NGAORBCQIPLJIB-UHFFFAOYSA-N 405.428 1.862 30 10 HDEE C=CCNC(=O)CN[C@]1(C(=O)O)C[C@H](C(C)C)N(C(=O)OCc2ccccc2)C1 2348405896 LKBCZTDTZYIZFL-DYESRHJHSA-N 403.479 1.769 30 10 HDEE CCc1csc(C#C[C@H](N)[C@@H](O)c2nn(C)cc2I)n1 2363923830 IGOVPSMKIPBWDZ-GXFFZTMASA-N 402.261 1.456 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365203104 HPNNOOICOPGQND-QCUYGVNKSA-N 402.557 1.585 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2365209296 FQAYKJVXJCNLPY-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCCN(C(=O)OC(C)(C)C)[C@H]1C 2365209478 WEGNBPPBSOGAQF-QMTMVMCOSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCOC(C)(C)[C@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367784642 BXBDYHZOJQCXCT-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CC(C)(C)OC(=O)NC1CC2(C1)[C@@H]([C@@H](O)C#CC1(S(C)(=O)=O)CC1)C2(F)F 2367801631 UWVHFFXTNHZVMZ-XPFWZQFZSA-N 405.463 1.867 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367805680 DJKJIZUBSHVVBO-BZUAXINKSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)[C@@H]1[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367820543 RMGPTNKUSUXZIO-ILXRZTDVSA-N 400.541 1.291 30 10 HDEE COCC[S@](=O)CCNC(=O)c1csc(C)c1B1OC(C)(C)C(C)(C)O1 2369528440 IYZBBIIDUKHGAU-AREMUKBSSA-N 401.359 1.481 30 10 HDEE CC1=C(C(N)=O)C(=O)N(C)C(=O)/C1=C/c1c(C)c(C#N)c2nc3ccccc3n2c1O 3098610 HITCAXLGEIPFGT-MDWZMJQESA-N 415.409 1.557 30 10 HDEE Cc1cc(C)nc(N/C(=N\C(=S)NC[C@H]2CCCO2)N2CCC(C(N)=O)CC2)n1 14161145 PEXZBMJAUPSGCN-OAHLLOKOSA-N 419.555 1.112 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@@H](C(=O)NCCOC)CC[C@@H]3C)cc2C1=O 57320465 AJYCDZPZINFQOZ-HOCLYGCPSA-N 413.474 1.472 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cccc(C)c2NC(=O)c2ccncc2)CC1 109332726 UGWASUUNIFPUNI-UHFFFAOYSA-N 421.501 1.702 30 10 HDEE N/C(CCNC(=O)c1cc(Br)ccc1I)=N/O 236325773 WYDDJEMPBMBKHP-UHFFFAOYSA-N 412.025 1.920 30 10 HDEE CC(=O)c1ccc(N2C(=NC(=O)CCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 254697053 JSHANEVQVKNTMY-ZIAGYGMSSA-N 410.473 1.355 30 10 HDEE Cc1nn(-c2cncc3nnnn23)c(C)c1CC(=O)N[C@@H](C#N)c1ccc(F)cc1 442030424 LEZAKBHPSPBIIB-INIZCTEOSA-N 405.397 1.385 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2c(Br)cnn2C)c(=O)n1C 447262713 FVLJSSNPMQGMDM-UHFFFAOYSA-N 409.309 1.061 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 460384929 JWKMYPSFRKYWID-RHSMWYFYSA-N 421.523 1.787 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1cnn(-c2ncccc2C#N)c1 461745841 LZGMJYZOSBXDNY-LBPRGKRZSA-N 414.422 1.584 30 10 HDEE CC[C@@H](CO)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)CC1 464761030 LHLIGDFMEVQXGG-SFHVURJKSA-N 413.522 1.945 30 10 HDEE COc1ccc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c(OC)c1OC 471997535 FKSHGUTUJCFLCO-UHFFFAOYSA-N 414.466 1.980 30 10 HDEE COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2ccc(C#N)o2)CC1 479382298 BOOSAKXOSKGIMI-UHFFFAOYSA-N 409.851 1.960 30 10 HDEE N#CCN1CCC[C@H](CNC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)C1 479890122 MWNBSVWSIYGFDQ-CVEARBPZSA-N 410.565 1.643 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCc1nnc2ccccn12 481252492 FYQUDNVCULNZQW-AWEZNQCLSA-N 412.475 1.017 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1 486623460 CKSPWDNXPOBWHR-SFHVURJKSA-N 413.455 1.424 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)NCC(=O)NC)c3)cc2C1=O 501294639 GTRUOJOMSTXKIZ-UHFFFAOYSA-N 420.425 1.197 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1 502894399 VZEAWSGCWHMYPW-SFHVURJKSA-N 404.536 1.969 30 10 HDEE COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(c2ncccc2C#N)CC1 506939070 KJXDBTKBHMJQFG-IBGZPJMESA-N 410.474 1.726 30 10 HDEE Cn1c(CC2CCCC2)nnc1N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 508538408 XJPQRNTYKCFPEM-UHFFFAOYSA-N 414.535 1.930 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@@H]2C(=O)Nc2nccs2)CC1 512456842 PBKFXLGOVVXYQC-HZPDHXFCSA-N 404.540 1.238 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)[C@H](C)[S@](=O)CCC(=O)NC(C)C)cc21 526909597 IMQVQPQREFYUSS-HJFSHJIFSA-N 406.504 1.833 30 10 HDEE Cc1ccc(NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)cc1S(C)(=O)=O 534024947 JHZAKQYSYSGGLH-UHFFFAOYSA-N 406.485 1.824 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)C1=O 537170895 DDEGETOPSDRURR-AWEZNQCLSA-N 402.426 1.008 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)Nc1ccc(CN2C(=O)CNC2=O)cc1 542789233 KUTOWMVBAMRZRQ-HXUWFJFHSA-N 400.435 1.939 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)n1 544833812 SRBVFEUWPOGDND-SFHVURJKSA-N 407.499 1.817 30 10 HDEE CC(C)OCCN1CCC(NC(=O)N2CCN(c3cccc(C#N)n3)CC2)CC1 546922672 JXMGTYOZLMONKW-UHFFFAOYSA-N 400.527 1.674 30 10 HDEE CCOC(=O)[C@H](CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1 555049363 WLPBANWFEFTLNV-GOSISDBHSA-N 415.471 1.300 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(F)F)[C@@H](CC)C1 555252359 LBMPHBWVMQOEJY-KBPBESRZSA-N 420.530 1.630 30 10 HDEE CCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(c2cc(OC)ncn2)CC1 558857797 ZPULQFAWEKKHIX-UHFFFAOYSA-N 420.477 1.874 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCN(CC)CC1 567430810 LNESPPSBTPGPCE-UHFFFAOYSA-N 404.540 1.523 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)O[C@H](C)COC)nc1C 586305128 QEZWSGIQTABDJT-GFVXYOJSSA-N 418.493 1.060 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@@H](C(F)(F)F)OC[C@H]3C)CC2)o1 586777288 KFKMADZNEOAPAD-RISCZKNCSA-N 401.389 1.155 30 10 HDEE CN(CCN1CCCS1(=O)=O)C(=O)c1ccc(COc2ccc(C#N)cc2)o1 610618656 RTIZHOAAWJLRDK-UHFFFAOYSA-N 403.460 1.838 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 670209066 VPJUSIJGIRAKTB-KRWDZBQOSA-N 404.515 1.670 30 10 HDEE C#CCN(C(=O)C1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 729334038 GWISTMMMRBFBBX-HXUWFJFHSA-N 416.543 1.507 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)/C=C\c2cncc(C(=O)NC)c2)cc1 731973817 JRNMAYIVDQVXMV-YHYXMXQVSA-N 414.487 1.900 30 10 HDEE CC(C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732154185 SFPTVURUNKXGCN-MLSMKVKPSA-N 424.501 1.629 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 734272094 AUUJGFWKVFEHLS-INIZCTEOSA-N 415.494 1.334 30 10 HDEE CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C(=O)OC)c2ccc(C#N)cc2)c1 740198353 FEZLSFIPEXYGLP-QGZVFWFLSA-N 402.428 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCCOc1ccc(C#N)cc1 755410725 FFKOPEWWALTXPR-KRWDZBQOSA-N 416.478 1.569 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NC2CC2)ccc1Br 756660116 SUVXZGMZXMADKB-NSHDSACASA-N 403.298 1.557 30 10 HDEE C#CCN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 757361630 DMVAQZAQZZJDAM-UHFFFAOYSA-N 412.533 1.274 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCC(C(=O)Nc2ccc(O)cc2)CC1 760253487 GSMCQHYRIJMFDO-UHFFFAOYSA-N 400.460 1.766 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc(F)cc1)c1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 776194625 ABYJYRZJBOPNTR-QZTJIDSGSA-N 404.467 1.481 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 783011869 DPYXSZOLDXGNIQ-UHFFFAOYSA-N 403.907 1.907 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)c1ccncc1)c1cc[nH]n1 789974997 MGYQCAXHQZCOQH-IBGZPJMESA-N 407.430 1.994 30 10 HDEE C#C[C@H](NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1)C(C)C 799045383 CCQMPZYTSVAKBL-AWEZNQCLSA-N 415.309 1.576 30 10 HDEE CC(C)(C(=O)COC(=O)[C@H](O)c1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 811177593 GLXWSLXNZAUPNB-GOSISDBHSA-N 406.394 1.779 30 10 HDEE CCNC(=O)[C@@H](C)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccccc1C#N 917701207 WSFOFNPWYOYSLY-MLGOLLRUSA-N 413.503 1.683 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cnn(-c2ccccc2)c1I 1126444989 SBOZYWQDOKMXHY-UHFFFAOYSA-N 424.198 1.616 30 10 HDEE Cn1cc(CNC(=O)c2ccnc(N3CCOCC3)n2)c(-c2ccc(C#N)cc2)n1 1127993885 DDMIPMOAMAUVGG-UHFFFAOYSA-N 403.446 1.515 30 10 HDEE C=CCOCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1 1131300341 ZFUOPSGWJDZGFP-HNNXBMFYSA-N 411.480 1.704 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCS(=O)(=O)CC2)C1 1136241511 SNVIECIVFQWBEK-UHFFFAOYSA-N 412.309 1.450 30 10 HDEE C#CCC[C@H](O)CNC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1138991622 SLGJPBRDTPQILU-GJZGRUSLSA-N 414.549 1.178 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 1156016335 YULZMOIYJPFEAJ-SOUVJXGZSA-N 404.529 1.412 30 10 HDEE C[C@@](CO)(NC(=O)CCN/C(O)=C1/N=CC=CC1=O)c1ccc(Br)cc1 1163431073 KHKCVZNVKOPUKZ-LJTZQCLUSA-N 422.279 1.689 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1-c1ccc(F)cc1 1166524612 RNVCYHURJKSLPY-UHFFFAOYSA-N 410.405 1.304 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)NC[C@@H](O)[C@@H]2CCCO2)CC1 1166734086 SVXWBMGBVLDZOD-CVEARBPZSA-N 400.435 1.679 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1179653517 ZXWQTFHYEYYWOH-ZRGWGRIASA-N 411.524 1.420 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)ccc2c1=O 1184416402 NMMAVTGXNQHEMN-ROUUACIJSA-N 414.531 1.542 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCOC[C@@]2(CO)C1 1198164335 HKFLMXBPFGSSLQ-JXFKEZNVSA-N 404.536 1.256 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 1213278608 FPSITCITBJEFSD-INIZCTEOSA-N 414.549 1.568 30 10 HDEE CS(=O)(=O)N1CC[C@H](CNC(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1230431783 ADTBTBMHBFXANZ-OAHLLOKOSA-N 405.524 1.108 30 10 HDEE C#CCN(C(=O)N[C@H]1CCC[C@@H]1C(=O)NC)C1CCN(C(=O)OC(C)(C)C)CC1 1230546878 WCYMOINBKBEHPN-IRXDYDNUSA-N 406.527 1.945 30 10 HDEE C[C@@H](C(=O)NS(=O)(=O)c1cc(Br)ccc1Cl)n1cnc(C#N)n1 1256523520 PALLWSLKXNZFBI-ZETCQYMHSA-N 418.660 1.632 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@H]1CCOC[C@@H]1OC 1286404529 VGURRUQITVBJOV-PXNSSMCTSA-N 408.458 1.798 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(OC)cc2)CC1 1286476634 BLLDGKIFZCLLLU-UHFFFAOYSA-N 419.489 1.578 30 10 HDEE C#CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(CC)C(C)C 1286509874 YGJCFQWFAKXAHY-HNNXBMFYSA-N 415.585 1.212 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC(C)(C)C(=O)NCC)CC1 1286638264 XTBNBANATOPHIJ-CQSZACIVSA-N 412.560 1.207 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1cccc(F)c1 1286727048 LLMDIDVKJDUSOE-MRXNPFEDSA-N 409.487 1.421 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1286773754 RHHFOKFTCNVDAS-OAHLLOKOSA-N 422.530 1.735 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)CCCc1ccccc1 1286779136 OKGSNSRFDIAQSX-UHFFFAOYSA-N 410.522 1.885 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N[C@H](C#N)c3ccc(Br)cc3)CC2=O)cn1 1290674360 FFQBCTNCAXKJSI-IUODEOHRSA-N 402.252 1.917 30 10 HDEE CCC(CC)(Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1)OC 1291923177 RHVWWTXXJOGIBW-AWEZNQCLSA-N 416.482 1.940 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F 1293532862 CRFHLFIOTWOZFJ-UYAOXDASSA-N 410.445 1.658 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCCOC2CCOCC2)cn1 1298810992 KFONFQFVARRIAJ-IBGZPJMESA-N 403.462 1.706 30 10 HDEE Cc1ccc(C(=O)N[C@@H](c2cccnc2)C(C)(C)CO)cc1S(=O)(=O)NCC#N 1299954468 DDMJKFUFFIWLBM-SFHVURJKSA-N 416.503 1.682 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cc(C)cc(C)c2)n1CCS(=O)(=O)NC 1300322252 PVNKDSIWYSYEPV-MRXNPFEDSA-N 405.524 1.481 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)c1 1300393158 SIDXKPFJBITSMD-GOSISDBHSA-N 403.460 1.546 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCNC(=O)c1cccc(OC)c1 1300618237 BLYSSIFDRVTRQH-UHFFFAOYSA-N 405.462 1.633 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCCN1C[C@@H](C)O[C@H](C)C1 1300665209 HQCPZXJOJITSJE-VAMGGRTRSA-N 419.570 1.757 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CCCC(=O)NC1CC1 1300788635 GWIDQAOHIVQIRW-YADHBBJMSA-N 415.538 1.981 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1301586940 WALRXACSAOJFOA-DLBZAZTESA-N 421.567 1.594 30 10 HDEE N#Cc1ccc(C2(NC(=O)CNC(=O)c3ccc4c(c3)OCO4)CCOCC2)cc1 1302375023 YQCLAOHHQALUII-UHFFFAOYSA-N 407.426 1.839 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@H]2CCC(=O)N2)cc1 1302990171 VUYYNGSYFQIZBK-QGZVFWFLSA-N 407.478 1.187 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1303505515 YDCUFKNAGNCQLT-DZFGPLHGSA-N 419.526 1.864 30 10 HDEE C[C@@H]1CCCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1305009712 KXNIBZYLBRPVMJ-YUMLTWSLSA-N 414.510 1.935 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(S(C)(=O)=O)cc1 1305547259 FBAYFXSLXYVONF-GDBMZVCRSA-N 403.508 1.972 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1CC[C@H](Oc2cncc(Br)c2)C1 1307880374 CDUQEYJYRKRFNP-HNNXBMFYSA-N 406.284 1.953 30 10 HDEE C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCC[C@@H]2CS(C)(=O)=O)cc1 1310556402 HMOQGWOESMSTGZ-DZGCQCFKSA-N 413.521 1.803 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(N2CCOCC2)cc1 1314404830 OVBLQVGQOACTOW-IBGZPJMESA-N 412.494 1.428 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H](C)OC 1316294001 NNJJECFCFPGQSU-LAQRGFTBSA-N 404.515 1.214 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCC1(OC)CCC1 1316297276 JDTVYNWCHQRMCT-ULQDDVLXSA-N 405.499 1.690 30 10 HDEE COC[C@H](C#N)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1 1346310173 AKWHAMTYZFTJDK-KBPBESRZSA-N 418.475 1.672 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1ccccc1I 1353198196 OJBHVTROKXDFRW-UHFFFAOYSA-N 423.214 1.975 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 1358912653 VPGXVQZVNJZUGY-UHFFFAOYSA-N 408.510 1.192 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)O)[C@H]1CCS(=O)(=O)C1 1358958024 FXDKCBCLQYNHMS-INIZCTEOSA-N 422.938 1.996 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCC2(C1)OCCO2 1359024990 ZTTBEOIUWIWDNX-ROUUACIJSA-N 404.511 1.801 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@]2(O)CCC[C@H]2C)CC1 1359040541 ZMPWTFFHJCLNBH-MDPIYQRISA-N 417.554 1.308 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCC[C@H]2OC)C1 1359321215 BZHBSFSCSJLKNK-BSDSXHPESA-N 424.567 1.777 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCN(CCOC)C(=O)C1 1359343368 RNTJRVCTVGEJJI-MRXNPFEDSA-N 409.556 1.386 30 10 HDEE C=CCSCCn1c(CC2CC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1359344668 FSDXRQPCABKRHI-UHFFFAOYSA-N 418.611 1.894 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cnn(C(C)(C)C)c1I 1435256614 UQQVDLQUCRYYGK-UHFFFAOYSA-N 404.208 1.381 30 10 HDEE Cn1cc(C#N)c(NC(=O)CCN2C(=O)COc3cc(Br)ccc32)n1 1435361324 PEOWHFQLZLYKNH-UHFFFAOYSA-N 404.224 1.808 30 10 HDEE C#CCO[C@H](C)C(=O)NCc1cccc(S(=O)(=O)NCc2cccc(F)c2)c1 1441909118 ATZGTXRTSJXMMH-OAHLLOKOSA-N 404.463 1.959 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN4C(=O)CC[C@@H]4C3)C2)C1 1446212391 SALXCSQNXHPXDD-KXSVDRQTSA-N 402.495 1.606 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@@H]2CCC(=O)NC)s1 1449099655 FITQRRRUQLXMSK-CQSZACIVSA-N 413.565 1.662 30 10 HDEE C#CCN(CC(=O)NCc1nc2ccc(C(=O)OC)cc2[nH]1)C(=O)OC(C)(C)C 1450667263 RRCZNBVMVQLIOV-UHFFFAOYSA-N 400.435 1.836 30 10 HDEE C#CCN(CC(=O)N1CCC[C@H]1c1nn[nH]c1C(=O)OCC)C(=O)OC(C)(C)C 1455642321 VSUAMPMJTQBDMJ-ZDUSSCGKSA-N 405.455 1.515 30 10 HDEE C=CCC1(O)CCN(C(=O)CNS(=O)(=O)c2ccc(Br)s2)CC1 1455924486 HZDOFFKZVMSZFP-UHFFFAOYSA-N 423.354 1.719 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](O)[C@@H](O)c3nc4ccccc4[nH]3)C2)nc1 1456067738 YKCARYZEHBSQDK-NIKGAXFTSA-N 406.446 1.327 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@H]3[C@@H](C2)OCCN3Cc2ccccc2)c(F)c1 1464061315 GTUKTFCWDWRZKX-RBUKOAKNSA-N 401.463 1.971 30 10 HDEE C#CCN1CCCN(C(=O)c2ccc3c(=O)n(CCCOC)c(S)nc3c2)CC1 1465278730 WZNLTAPFZUMIHT-UHFFFAOYSA-N 414.531 1.503 30 10 HDEE N#CCCCN1C(=O)CCc2cc(NC(=O)[C@H]3CCCN(S(N)(=O)=O)C3)ccc21 1466929876 LJFRVXFXCMQEFY-HNNXBMFYSA-N 419.507 1.124 30 10 HDEE C=CC1(CC(=O)NCCCN2CCCS2(=O)=O)CN(C(=O)OC(C)(C)C)C1 1470901871 FVKWOCHCSHRKQJ-UHFFFAOYSA-N 401.529 1.341 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CNS(=O)(=O)c2cccs2)CC1 1471226732 GVFZGSZIROELGB-UHFFFAOYSA-N 408.480 1.386 30 10 HDEE C#CCC1(O)CCN(C(=O)CS(=O)(=O)c2cccc(Br)c2)CC1 1471529418 VQZZPDQVXPTSGB-UHFFFAOYSA-N 400.294 1.600 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CO)CCF)nnc12 1472592761 UNHQWHVSROAZSV-LBPRGKRZSA-N 405.455 1.159 30 10 HDEE C#CCOc1ccc(Br)cc1CNC[C@]1(OC)CCS(=O)(=O)C1 1474274130 SPWKHTFZVSOVDW-MRXNPFEDSA-N 402.310 1.754 30 10 HDEE C#C[C@@H](NS(=O)(=O)CCOCCN1C(=O)c2ccccc2C1=O)c1ccccc1 1475429600 DPFYHXFCIFIPDO-LJQANCHMSA-N 412.467 1.593 30 10 HDEE C#CCNC(=O)N1CCC[C@H](c2cc(N3CCN(C(=O)OC(C)(C)C)CC3)n[nH]2)C1 1477500655 OLSLWZLJYQENHX-INIZCTEOSA-N 416.526 1.989 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCCCCNC(=O)CC3)C2=O)cc1 1478569045 TXKHQGHGWAXOJX-LJQANCHMSA-N 411.506 1.751 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NC[C@@]34COCCN3C(=O)OC4)CC2)cc1 1479150385 UGQOWKQSENIAMD-FQEVSTJZSA-N 400.435 1.332 30 10 HDEE N#CCCN1CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)CC1 1479171944 CVCMQOGCHVLICA-MRXNPFEDSA-N 420.311 1.943 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCc3ccc4c(c3)OCCCO4)CC2)c1C#N 1479350249 FZNJVDBOIZCVAO-UHFFFAOYSA-N 424.505 1.836 30 10 HDEE Cc1cc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)on1 1493143487 CUMOZCNOBRZGNH-RDTXWAMCSA-N 404.496 1.655 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1507563312 DZNSKRKOLLQWGI-GUDVDZBRSA-N 417.554 1.953 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(N(C)C)CCOCC1 1507603585 WXSLEDYABNYHDI-NRFANRHFSA-N 405.543 1.499 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCO[C@H](C)C2)CC1 1507741518 VYOBIZOKAAJVKI-IAGOWNOFSA-N 403.527 1.596 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1507755534 VEUMUOROPDCEGG-NQIIRXRSSA-N 419.595 1.840 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1508070740 CCFAVACOWCGRDF-JKSUJKDBSA-N 418.542 1.362 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](C)CC[C@@H]1C 1508131672 OSJHKIBCMJPWMK-HOTGVXAUSA-N 409.556 1.740 30 10 HDEE CCc1nnc(N(C)CCc2nccs2)n1CCN/C(O)=C1/N=CC=CC1=O 1513805413 LEJAFJYWGAQYBW-MSUUIHNZSA-N 401.496 1.502 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCO[C@@H]2C)C1 1517505530 FUIMPZKJAGDKBQ-LDJQZATESA-N 424.505 1.319 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC[C@H]21 1519532506 VJAPUDQTDYCSHC-QZTJIDSGSA-N 415.519 1.867 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCS(=O)(=O)C2)C[C@@H]1O 1520622263 KVNYKUJYPDLGSQ-KYJSFNMBSA-N 415.519 1.459 30 10 HDEE C#Cc1ccc(CNC(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)cc1 1526678554 KCFBSEFQMAWIQO-UHFFFAOYSA-N 401.488 1.177 30 10 HDEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 1527274244 NOWFDLWKBQOSCE-HKWRFOASSA-N 420.451 1.551 30 10 HDEE C#CCN(C(=O)c1nn(-c2ccccc2)cc1Br)[C@@H]1CCS(=O)(=O)C1 1528600147 SSFFTTOARKIXMB-CQSZACIVSA-N 422.304 1.897 30 10 HDEE N#CCOc1cccc(OC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1 1528708831 XNUPEOMVOHTLKN-UHFFFAOYSA-N 402.428 1.829 30 10 HDEE CC(C)(C)OC(=O)C1(NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)CCOCC1 1530006660 IDUAIBFENGCQJT-INIZCTEOSA-N 413.474 1.918 30 10 HDEE CC(C)C[C@]1(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)CCNC1=O 1534106624 XDJBGTZMXDJLNR-YYTOJMEDSA-N 420.535 1.990 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2CCC(=O)NC)c1 1539040069 LABQHRRFCXDRRW-UHFFFAOYSA-N 405.462 1.466 30 10 HDEE C#CCCCCn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1539062941 HTBNBMZKSNKFMO-QGZVFWFLSA-N 407.478 1.616 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](C)CNC(=O)OC(C)(C)C 1539190141 AEIVCLVKSQZEPA-HNNXBMFYSA-N 404.515 1.631 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1539201132 WSPPOZOYPKRRAW-QEEYODRMSA-N 405.499 1.270 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCN1S(C)(=O)=O 1539263404 HLSADBRRRRCVLK-SJORKVTESA-N 405.524 1.017 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CC[C@]2(CCOC2)O1 1539272869 FREMEGSSOINUIY-SIKLNZKXSA-N 408.506 1.551 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCCCCC1=O 1539413870 OMTGYJIUOAYVGA-QGZVFWFLSA-N 416.526 1.108 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(CC(F)(F)F)C1 1540084509 VZVJHTSCTDZFDZ-AWEZNQCLSA-N 400.449 1.907 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C 1540861950 MTXWEIJHZSQQQX-CQSZACIVSA-N 413.482 1.231 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2nncn2CC)C1 1540884306 NDXYHGCTJXUMCH-JXFKEZNVSA-N 417.514 1.371 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cccc(C#N)c2Br)C1 1543821576 OQXFWHVBOJOZMF-NSHDSACASA-N 400.298 1.722 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2OC)CC1 1545212131 HFCOZOLCIFZKDB-UHFFFAOYSA-N 420.462 1.506 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@H]2CCC(=O)N2)CCOC1 1547900072 GGZBWNDJSZNIJG-XPGWFJOJSA-N 402.499 1.339 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1COC(C)(C)OC1 1552729397 WSTDVIOTDTWGOO-UHFFFAOYSA-N 412.494 1.740 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCOC3)n2Cc2cccc(Br)n2)CCO1 1555993152 JBGITXGHONQKAD-OCCSQVGLSA-N 419.283 1.717 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cnn(-c2ccc(Br)cc2)n1)C(=O)OC 1556375983 YIRXMAXHKPBTGA-CQSZACIVSA-N 409.240 1.504 30 10 HDEE Cn1cnc(CCCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)n1 1557191482 OYQXXGWYKZWXJS-RDYUPDBUSA-N 402.499 1.651 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)CC1 1558102004 BRXINIXXDVFZKD-KRWDZBQOSA-N 406.504 1.134 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CN(C(=O)OCC)C[C@H]1CO 1558734754 UNHROUKXAXWFPC-IHRRRGAJSA-N 419.906 1.588 30 10 HDEE CN(C)CCn1cc(NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)ccc1=O 1558960887 GKIGMUUTCVFFRI-UHFFFAOYSA-N 416.522 1.999 30 10 HDEE CCOCCCN(CC#CCN1C(=O)c2ccccc2C1=O)C[C@H](C)C(=O)OC 1559545603 BQBINBDJBZATNU-KRWDZBQOSA-N 400.475 1.824 30 10 HDEE C#CCCN(CCOC)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1560023737 JZGZRQPUJYYZHJ-UHFFFAOYSA-N 411.462 1.427 30 10 HDEE C#CCOc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)OC)cc1 1561578428 PLUJUMPWCKDVHQ-UHFFFAOYSA-N 404.400 1.872 30 10 HDEE CN1C(=O)CC[C@H](NC(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)C1=O 1564961904 YPYHZFJJDBXGOP-KRWDZBQOSA-N 406.446 1.085 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)CN2CCCCC2)C1 1570543220 HSCDJIKSDZQPPP-QGZVFWFLSA-N 421.339 1.720 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CCC(C#N)CC3)CS(=O)(=O)[C@@H]2C1 1583830041 ICKKOCBPFZMHPG-BZUAXINKSA-N 411.524 1.419 30 10 HDEE C[C@@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)CN1CCS(=O)(=O)CC1 1584393505 CNOWQXVUHYMEDS-ZDUSSCGKSA-N 403.426 1.676 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(Cc3ccccc3)[C@@H](C(C)C)C2)C1=O 1587424086 LEKXPZLQTCZZOQ-GOSISDBHSA-N 412.490 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2(c3ccccc3)CCC2)n1CCS(=O)(=O)NC 1587569460 YAWQCURBTLWPJX-INIZCTEOSA-N 401.536 1.755 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(N2CCOC2=O)cc1 1587663020 SVLRIBVFWIMMCU-MRXNPFEDSA-N 422.489 1.863 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588065428 YIBVITBDLXOVFY-PKOBYXMFSA-N 419.595 1.589 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1588646762 MWYZESFZZHWLRB-KRWDZBQOSA-N 418.519 1.345 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1 1588646763 MWYZESFZZHWLRB-QGZVFWFLSA-N 418.519 1.345 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCCC(=O)NC2CC2)CC1 1588848938 RJQSEDFKUIIUMJ-UHFFFAOYSA-N 420.561 1.991 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1593858661 JXPWZHZRGNOQBB-AWEZNQCLSA-N 401.858 1.565 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1595460955 JJVWFQVYNWVCSB-FXAWDEMLSA-N 402.499 1.527 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(CNC(C)=O)CC1 1595761163 YKMIYWFRRRQUSX-OAHLLOKOSA-N 411.572 1.745 30 10 HDEE CC(C)CN1CCC[C@H](Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)C1 1607455115 GLCBDPYLTMYKML-IPMKNSEASA-N 402.543 1.879 30 10 HDEE CC(=O)Nc1ccc(S[C@@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1611159732 PBEUMDGHSFFEPF-YEWDVWPNSA-N 407.517 1.522 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2ncc(Br)cn2)cc1 1616650120 SNKSPIAXHZRJEL-UHFFFAOYSA-N 424.280 1.361 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(Cc4ccccc4)CCN(C)C3=O)CC2)c1C#N 1625300407 TWKHCYNVFQTHBD-QHCPKHFHSA-N 420.517 1.340 30 10 HDEE C=CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1626436985 BGBKZDDFNSTPHR-KBPBESRZSA-N 402.538 1.341 30 10 HDEE CC[C@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 1628154449 LJNLDKYMIAVALZ-XJKSGUPXSA-N 409.508 1.804 30 10 HDEE COc1cc(NC(=O)CNc2ccc(C#N)cn2)ccc1S(=O)(=O)N1CCCC1 1629339652 ANHGGRVUHPVFNF-UHFFFAOYSA-N 415.475 1.797 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c1ccccc1)C1CCOCC1 1633417844 JORTZZMQDAZPPR-ROUUACIJSA-N 410.561 1.631 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCO[C@@H](c4ncon4)C3)C2)C1 1633922220 ITHMOKRRLIABEA-YCTJDYOESA-N 417.466 1.756 30 10 HDEE CC1(C)C[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2cc(F)ccc2O1 1636674447 MPIUMKLJKLTDFS-OAHLLOKOSA-N 413.409 1.828 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H]3[C@@](C(F)(F)F)(CCCS3(=O)=O)C2)cc1 1637081341 RRNMJLCIYWERGI-GDBMZVCRSA-N 401.410 1.938 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@](C)(CO)Cc2ccc(OC)cc2)c1 1637528215 HWXOYRJCHXOUNN-NRFANRHFSA-N 418.515 1.883 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(Cl)cc2c1OCC2 1638650703 IOVCRYOOSJVQLO-JTQLQIEISA-N 415.837 1.736 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CC[C@@H]3[C@H](C)Nc4ccnn4[C@@H]3C)CC2)c1C#N 1638689812 LNXCKJBPATUQHQ-USXIJHARSA-N 410.526 1.917 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 1639583830 LCPRZFYYDGJRNL-DZGCQCFKSA-N 417.462 1.562 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ccsc3C#N)CC2)c1 1640439839 YDLJMOWDNFMFPA-UHFFFAOYSA-N 414.512 1.494 30 10 HDEE C#CC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1641041229 TTZBOVXASXQEHQ-KRWDZBQOSA-N 410.561 1.382 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CN1C(=O)N[C@](C)(c2ccccc2OC)C1=O 1641582701 JQRKKAUCXLHACQ-OPAMFIHVSA-N 413.474 1.989 30 10 HDEE N#Cc1cc(C(=O)N2CCN(CCNS(=O)(=O)c3ccccc3)CC2)cs1 1641936664 FEUYJZXYWFWHDA-UHFFFAOYSA-N 404.517 1.356 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1)n1cccn1 1644719213 SJWGNBNVDVACBF-HNNXBMFYSA-N 404.320 1.987 30 10 HDEE C#CCN(CC(=O)N1CC[C@H](C(=O)OC)C[C@@H]1[C@H]1CCCO1)C(=O)OC(C)(C)C 1645150931 HDUQAHRWNKQZOJ-GVDBMIGSSA-N 408.495 1.816 30 10 HDEE C[C@@H](NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1nc(C(F)(F)F)n[nH]1 1645532756 ASHXDJMNPNDBSS-SSDOTTSWSA-N 405.333 1.751 30 10 HDEE Cc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccc(Cl)cc1 1645991565 SNJAYUAOVVLSPQ-SCLBCKFNSA-N 404.879 1.845 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@@](CO)(c2ccccc2)C1 1646277986 LOEFOPLSQBLWRA-FPDPHYFHSA-N 413.499 1.434 30 10 HDEE CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C[C@@H](O)COc1ccccc1C#N 1648081338 GAITWEVFBRQDEC-QGZVFWFLSA-N 401.488 1.611 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)n1 1652070460 BUEZWNACTKBEDM-OAHLLOKOSA-N 418.498 1.726 30 10 HDEE N#CC1(C[C@@H](O)CN2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CCOCC1 1652936614 BWKKFKZWUXHUAF-IAGOWNOFSA-N 413.474 1.055 30 10 HDEE C#CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCOC1)C(=O)OC 1662441276 QMGJIBBJUFEDGR-JSGCOSHPSA-N 401.868 1.599 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC2(C)CN(C(=O)OC(C)(C)C)C2)c1 1664850890 QDFVWJJDAFVATA-UHFFFAOYSA-N 409.508 1.890 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)c(C#N)cn1CCOC 1670537188 DGJJGWHWLSQZKU-CABCVRRESA-N 417.466 1.458 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCc3c(cccc3C(N)=O)C2)C1 1671495769 WJYZFHSTBVTQKF-WMLDXEAASA-N 413.478 1.612 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1CC)[C@@H]1CCS(=O)(=O)C1 1682819414 RMXPZBDHULQGQQ-OWCLPIDISA-N 413.540 1.606 30 10 HDEE CN(C)CC#CCNC(=O)N1C[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C(F)(F)F)C1 1685776256 OGNZXUYCKQCEHL-KGLIPLIRSA-N 406.449 1.896 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC(C)CC1 1689827673 ILYVIPRRJVRMHY-DLBZAZTESA-N 410.588 1.468 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ncc(CC)s1 1689827752 IYPUBTMLDNZBIQ-STQMWFEESA-N 410.569 1.608 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cccc(Cl)c1 1690015386 KPVHVMBDCAQOGA-UWJYYQICSA-N 411.893 1.863 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCO[C@H]1C 1690097063 AJXDHCHJUYRVQC-LIRRHRJNSA-N 405.886 1.619 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCN2CCCO)CC1 1690137026 MLSHKZBIUUYFTJ-IBGZPJMESA-N 416.570 1.214 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@@H]1C 1690299411 QKZSLIOWEWASSC-HNNXBMFYSA-N 406.531 1.456 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1690320456 UHNQKVTWFZQFRP-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CCC(C)(C)Cn1c(CC(C)C)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1690432994 QGEYNMGQKCEPOE-UHFFFAOYSA-N 415.546 1.414 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)[C@H]2CCCC[C@H]21 1690671057 OGXZQUPUGCCKEP-YLFCFFPRSA-N 421.567 1.497 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC2(CC1)COC(=O)N2 1690673829 GJRAVFTWHGMBPS-UHFFFAOYSA-N 416.507 1.311 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1c(F)cccc1Cl 1692541937 CHIKHRLFBNXOHO-LBPRGKRZSA-N 406.849 1.986 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1c1cnn(C)c1 1692660655 YXADCUFHODMONI-NVXWUHKLSA-N 408.514 1.819 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@H]1CCOC[C@@H]1OC 1698239537 YYRYAHBQNOVQNN-XWSJACJDSA-N 419.526 1.794 30 10 HDEE CON(C)c1nnc(Cc2ccc(F)cc2)n1CCN/C(O)=C1\N=CC=CC1=O 1698269376 YEEQTWGKPJCRAW-ISLYRVAYSA-N 400.414 1.532 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCC(CC#N)CC1 1698310287 GYTMAIKTXYFOLK-MRXNPFEDSA-N 417.539 1.827 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)CC(=O)N1CCOCC1 1705528809 SPCLSQLOUTXAAM-UHFFFAOYSA-N 411.462 1.382 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[S@@](=O)C(C)(C)C 1705612901 SADPFYKCTFNASI-HWRSSNJWSA-N 400.570 1.187 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN(CC)CC 1705668385 KDSZYNOBKPKLOB-QFBILLFUSA-N 410.588 1.612 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705673483 AKUAUBLTQYQRAX-OXQOHEQNSA-N 416.551 1.557 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCCOC2)nnc1N1CCC(C#N)CC1 1710886462 JSWCKZGMYMMJAN-KRWDZBQOSA-N 424.571 1.584 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCCO)c2ccccc2c1=O 1711281603 AULBSKSTLNUWMC-OAHLLOKOSA-N 423.477 1.083 30 10 HDEE CO[C@H](Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C1CC1 1711582284 FMOCCHMONPQWGR-MBOZVWFJSA-N 405.499 1.472 30 10 HDEE COC[C@H](F)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)[C@@H](C)CC#N 1712172317 YBTSIUAXUPNLEJ-UONOGXRCSA-N 413.457 1.915 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1722288530 BGYKAIXRKLYQCN-JXFKEZNVSA-N 400.552 1.939 30 10 HDEE C#CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1722314453 NYBSUFWKCLAJJH-SFHVURJKSA-N 421.505 1.925 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@H]2CCCO2)CC1 1722333493 WLDCNVLTMWPBIJ-ZWKOTPCHSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1722381431 QNLXWTQOOKDETR-KURKYZTESA-N 412.538 1.190 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@]1(O)CCO[C@@H]1C 1722405491 DBDPHGDAVNOROM-QVKFZJNVSA-N 400.479 1.962 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(O)cc2)CC1 1722441460 QZACPHWFQSLAGO-UHFFFAOYSA-N 405.506 1.649 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)OC)CC1 1722507860 QFVYBULAKIRSQW-DOTOQJQBSA-N 415.498 1.548 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1722690393 JDOPDZBTMINSAC-IRXDYDNUSA-N 412.542 1.989 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCC[C@H](NC(C)=O)C1 1722696532 BEXBNTBSZCBLQA-INIZCTEOSA-N 421.505 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCSC[C@H]1C 1722728880 BNYRRKWPDZRIKS-OAHLLOKOSA-N 407.565 1.806 30 10 HDEE Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1 1724235549 LSEODCGQHYTVQS-QZTJIDSGSA-N 409.494 1.381 30 10 HDEE CN(CC1CC(F)C1)c1nnc(COc2ccc(C#N)cc2)n1Cc1nnn(C)n1 1729456681 NQBPSKFVHPLSAU-UHFFFAOYSA-N 411.445 1.485 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCS2)CCO1 1729679117 GSBWHZIZIGRNPD-IRXDYDNUSA-N 412.519 1.664 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1CN1CC[C@H](O)C1 1740549992 OMVGPGASSKRVBV-VDGAXYAQSA-N 422.533 1.302 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1(N(C)C)CCC1 1740607295 LILSFQFSOJKZEQ-UHFFFAOYSA-N 415.567 1.792 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H](OC)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1740627403 QGZOFARFMVTRBN-IXDOHACOSA-N 424.567 1.470 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1Cc1ncnn1C(C)(C)C 1740629590 SEQBCYGFOVPPQY-UHFFFAOYSA-N 410.526 1.664 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1CC1(C)CCOCC1 1740680229 VRXHNQMSRUMJEY-NRFANRHFSA-N 406.527 1.833 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1740759765 DSZMYZGZKYEVBQ-VQHPVUNQSA-N 410.540 1.387 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCC(=O)N(C)C)C1 1740972984 PIPDLQLLTDIPDO-LAUBAEHRSA-N 421.542 1.578 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3csc(N4CCOCC4)n3)n2CCOC)C1 1740977736 XSOYHOGADNJDLB-HNNXBMFYSA-N 420.539 1.666 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1743209891 VVXOWTXAMWJKNJ-INIZCTEOSA-N 422.489 1.742 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@H](C)N(C)C 1744770711 HXBYYVYBJSQFFB-QAPCUYQASA-N 411.510 1.394 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)cc1F 1747572373 JZGWEDZRIZZRTJ-QRWLVFNGSA-N 415.448 1.925 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1748730037 CJBOSTUJJFREJC-SFHVURJKSA-N 423.521 1.497 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCNC(=O)[C@H](C)CCC 1748779904 XVIRGNDNGWRSDF-MRXNPFEDSA-N 421.509 1.543 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1748791616 XWOSLNYCNLGQMR-INIZCTEOSA-N 409.556 1.507 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(CC)cc2)n1CCCNS(C)(=O)=O 1748876380 CUAFGYDYSZOTQM-UHFFFAOYSA-N 413.547 1.910 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2nc(C)cc2C)n1CCS(=O)(=O)CC 1748900242 AMLVRNXXDOARRM-UHFFFAOYSA-N 402.524 1.037 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3F)n2CCCS(C)(=O)=O)CC1 1748993226 RCWGEZPLWBFWOF-UHFFFAOYSA-N 419.526 1.198 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2CCc2ccn(C)n2)CC1 1749009791 LMKGIDPRKIMECL-UHFFFAOYSA-N 409.538 1.878 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1 1749115132 MEAMWDZZZHTLKQ-BQFCYCMXSA-N 416.526 1.209 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1749122697 ZJVLHZUFCRPKAT-LNLFQRSKSA-N 413.526 1.965 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1749234507 GBPONZWUQOQYKN-QGZVFWFLSA-N 422.555 1.356 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1749266815 LVEBUTHUPWOFJJ-KGLIPLIRSA-N 408.890 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749734537 KFYIHFSAKAQZKH-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3cccnc3)n2CCC(=O)NC2CCCCC2)CCO1 1750387991 GYYSPIWZPVHRAE-IBGZPJMESA-N 423.521 1.832 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C[C@@H]2CCOC2)CC1)N(C)C 1751121751 DTXWFSHLKHHGFC-ICSRJNTNSA-N 423.565 1.925 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)COC 1760173285 PZSXAWUKEVCAKT-OAHLLOKOSA-N 405.524 1.547 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2nc(C)no2)C1 1760279516 BBXCMYYWLHPDPG-LSDHHAIUSA-N 415.523 1.671 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1760293224 QYEXJICFXHKMCM-UXHICEINSA-N 418.494 1.626 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760355287 DTLGKRHKLWQUFH-IBGZPJMESA-N 401.471 1.302 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(-c2cnn(C)c2)n1CCS(C)(=O)=O 1760500121 STSWZOOYTWROEM-UHFFFAOYSA-N 404.496 1.551 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3c(s2)CCCCC3)nnc1N1CCNC(=O)C1 1760517058 BBSNEHJKIODZGZ-UHFFFAOYSA-N 414.535 1.514 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760522948 HQENMBLCYYOCJT-CQSZACIVSA-N 407.478 1.396 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](CCOC)C1 1760556031 STKDFDAPXCTEJJ-SJORKVTESA-N 412.556 1.636 30 10 HDEE CCN1CCN(CCCCn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1765561881 GUTUZSCYHGJXKV-IBGZPJMESA-N 424.553 1.487 30 10 HDEE CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N2CCO[C@H](C#N)C2)CC1 1767158236 DEXGQTRBOSAROG-MOPGFXCFSA-N 417.558 1.276 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1767374374 LDXYOORIIGWZNY-AUSJPIAWSA-N 404.515 1.583 30 10 HDEE CN(C)C(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1768459191 OMZJSYPLUAWCPA-UHFFFAOYSA-N 410.526 1.548 30 10 HDEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2Cc2cnnn2C)cc1 1768726599 AQPJHPLBVJYONE-UHFFFAOYSA-N 408.466 1.782 30 10 HDEE CO[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2cccc(C#N)c2)CCOC1 1769769185 CBQXIOFWDFKFRG-UTKZUKDTSA-N 410.478 1.543 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1 1770740353 DXMNRIAKCBLDCO-UHFFFAOYSA-N 403.402 1.178 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)CC2 1848672174 HUIAGKUILZLIKA-STQMWFEESA-N 408.446 1.247 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)[C@H]1CCN(C)C1=O 1848777587 OSGFGYAMTCBEJN-IBGZPJMESA-N 419.547 1.966 30 10 HDEE C[C@H](C(=O)N1CCC(COc2cc(C#N)ccn2)CC1)n1nnc2ccccc2c1=O 1849810619 LDNMHOGIIJQMSS-OAHLLOKOSA-N 418.457 1.937 30 10 HDEE N#CC1CCN(CCNC(=O)CCNS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850003795 AIKSXQBSKHQJMD-UHFFFAOYSA-N 416.906 1.499 30 10 HDEE Cn1nc2c(cc1=O)C[C@@H](C(=O)NCC1CCN(c3ncccc3C#N)CC1)CC2 1850730839 KGGMKYDCOFSSJZ-INIZCTEOSA-N 406.490 1.185 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)c1ccccc1C(=O)N1CCN(C2CCCC2)CC1 1851837052 QVXJEQGANJLVNU-UHFFFAOYSA-N 415.494 1.764 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cn4ccc(Br)cc4n3)CC2)n1 1851872068 LBUBYNSSWASOGS-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CSc4c(cccc4OC)C3)C(=O)C2)C1 1853658793 CFOISYZHDLNYJX-MSOLQXFVSA-N 415.559 1.891 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)C(=O)C1 1853947752 BEBXKMUGPLTCAX-UHFFFAOYSA-N 417.874 1.814 30 10 HDEE CCOCCN1CC[C@@H](N2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1854097406 BIFIRIYALCWNKH-QGZVFWFLSA-N 418.925 1.801 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2ccnc(Cl)c2)C1=O 1854097770 DRDYNOJBUYCVHG-HZPDHXFCSA-N 404.898 1.975 30 10 HDEE COc1ccccc1S(=O)(=O)N1CCC([C@H]2CC(=O)N(C(=O)CC#N)C2)CC1 1854237709 CQWKAROYAFBUCF-HNNXBMFYSA-N 405.476 1.385 30 10 HDEE N#Cc1ccc(CC(=O)O[C@@H]2CON(S(=O)(=O)c3c(F)cccc3F)C2)cc1 1854380343 RXPJWDKKLCVADA-AWEZNQCLSA-N 408.382 1.927 30 10 HDEE C=CCN(CC=C)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)C1=O 1854553305 AKGMRDBYGZCUFJ-LJQANCHMSA-N 417.531 1.886 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)c3cnccn3)C2=O)CC1 1854862720 TYTNWQWATLPBEN-GOSISDBHSA-N 406.446 1.275 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855007443 PUNMJSPQYKLFHB-SJORKVTESA-N 419.526 1.045 30 10 HDEE C=CCN1CCC([C@H]2CC(=O)N(C(=O)c3nnn(-c4nccs4)c3C)C2)CC1 1855041795 NSIYUHXZJUOORA-HNNXBMFYSA-N 400.508 1.919 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C3CC3)C2)CC1 1855450730 GORVGHUMUUKBAC-QGZVFWFLSA-N 401.488 1.744 30 10 HDEE C[C@@H](Oc1ccc(F)cc1)C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855726065 HQPUCTALRLFRCH-CYBMUJFWSA-N 417.418 1.826 30 10 HDEE C[C@H]1C[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C2(CCCC2)C1=O 1856312637 AGEXXLCNTOALDF-YOEHRIQHSA-N 401.488 1.887 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)CCc2ncc(C)o2)C1)[C@@H]1CCN(C)C1=O 1857050099 DGTVTYCTSSPFRU-IAGOWNOFSA-N 402.495 1.400 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2c(C)nn(C)c2C)C1)[C@@H]1CCN(C)C1=O 1857076644 MMFCFTLCNMQUJB-IAGOWNOFSA-N 401.511 1.134 30 10 HDEE Cc1cc(C)cc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)c1 1857150016 NJFFCCWBNMCKAR-IBGZPJMESA-N 404.474 1.527 30 10 HDEE C=C(C)CN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 1857233247 OGERSQNMIDNKJV-QZTJIDSGSA-N 411.568 1.464 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CCC(=O)N(C(=O)[C@H]3CCCS3)C2)C1 1857477558 NEKHZIQXUILFEF-KBXCAEBGSA-N 400.504 1.677 30 10 HDEE Cc1nc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4n3C)CC2)nc(O)c1C 1859428376 XDPTUCSDRBSLKW-INIZCTEOSA-N 419.489 1.684 30 10 HDEE CSCC[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)C(=O)Nc1ccc(C#N)cc1 1866588625 SHRSGDZWZLFJCM-HOCLYGCPSA-N 409.533 1.559 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCCO)cn1CCCOCC 1870358055 UZHCZNLLBUFXEG-UHFFFAOYSA-N 421.538 1.326 30 10 HDEE C#CCOc1cn(CCOCCO)c(CNc2ccc(OC)c(OC)c2)cc1=O 1871007598 JUOVIVSUNNHWQM-UHFFFAOYSA-N 402.447 1.499 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(N(C)Cc3ccccc3)ncnc21 1873562044 KTQUXHWBORLIGA-UHFFFAOYSA-N 409.490 1.681 30 10 HDEE COC1(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CN(C(=O)OC(C)(C)C)C1 1985176966 RSGANLJLTFIJEU-GOSISDBHSA-N 414.506 1.859 30 10 HDEE CC(C)(C)OC(=O)N1CCC(OCCCNS(=O)(=O)N2CC(C#N)C2)CC1 2174778419 WUPQRQJILSKUJS-UHFFFAOYSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)CCN1S(=O)(=O)CC1(C#N)CCCC1 2174778905 CPGHELFGDSKVLM-UHFFFAOYSA-N 421.541 1.283 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174780584 WJZYLNFVHAKTEW-CPUCHLNUSA-N 404.508 1.699 30 10 HDEE C#C[C@H](NS(=O)(=O)c1ccc(I)c(C(=O)O)c1)C1CC1 2186340155 IJCLKJNADOEEGY-LBPRGKRZSA-N 405.213 1.680 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cnc(C(=O)N[C@H](C(=O)O)C(C)(C)S)c1 2233450748 CNWOAOSKBRJIBF-GFCCVEGCSA-N 400.501 1.689 30 10 HDEE C[C@H](CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)N(C)Cc1ccccc1 2247915694 IEDPOHZLDBFGAD-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE CN(CC1(NC(=O)OC(C)(C)C)CC1)C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247917215 IUTOUBSSROXWTJ-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CN(C(=O)c3cc(B4OC(C)(C)C(C)(C)O4)c[nH]3)C[C@@H]21 2247941128 WTCVVQSCODTTCT-MIFYACCESA-N 417.315 1.909 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)CO1 2248064331 UDIZKQKNXWHGBR-LBPRGKRZSA-N 420.275 1.057 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H](C4OCCO4)C3)s2)OC1(C)C 2255947753 DARCHOINCJVQRP-GFCCVEGCSA-N 415.342 1.431 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3CCONC3)cc2Cl)OC1(C)C 2267705250 WYCPFKDTJHSRKM-SECBINFHSA-N 408.738 1.273 30 10 HDEE CC1(C)OB(c2csc(C(=O)NCC[C@@]3(O)CCOC3)c2Cl)OC1(C)C 2281949275 HTODXPUCEWCGFI-QGZVFWFLSA-N 401.721 1.972 30 10 HDEE COC[C@@]1(F)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282332088 WDXVPLWEYKXMPA-MRXNPFEDSA-N 405.322 1.796 30 10 HDEE CN([C@H]1COCC1(F)F)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282491995 NALZFIRWVRGLAG-LBPRGKRZSA-N 409.285 1.702 30 10 HDEE CSC1CN(S(=O)(=O)c2c(F)cc(F)cc2B2OC(C)(C)C(C)(C)O2)C1 2282502949 RXABGOCKNWEILL-UHFFFAOYSA-N 405.297 2.000 30 10 HDEE COC(=O)[C@H](C)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282503279 XQOSSGIZEOETQS-JTQLQIEISA-N 403.693 1.479 30 10 HDEE C[C@@H](CO)[C@@H](C)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282506713 WLWFFYATKBNNKK-NWDGAFQWSA-N 403.737 1.934 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sn2)CCS1(=O)=O 2282603548 IEOQASBZGYXVJG-MNOVXSKESA-N 400.331 1.138 30 10 HDEE Cc1cc(S(=O)(=O)NC2CC(CCO)C2)sc1B1OC(C)(C)C(C)(C)O1 2282825787 MYNXJROSYPJVOF-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N=[S@](C)(=O)C[C@@H](C)N 2282832061 IWTDEVXNJZZBCM-REFGNXHDSA-N 422.403 1.489 30 10 HDEE CC(=O)NCCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282835457 VCKXFLRSLCQRJU-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C[C@H]1N(C)C 2282848827 SHTPKKSVQQHBDB-GXTWGEPZSA-N 400.375 1.618 30 10 HDEE C[C@H]1CCNC[C@H]1N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282859070 HOACATNIZCCPLE-GXTWGEPZSA-N 400.375 1.666 30 10 HDEE CN(C)[C@H]1C[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282870713 WQDRSBIIGXCJKP-BETUJISGSA-N 400.375 1.666 30 10 HDEE C[C@H]1[C@@H](N)CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282871690 KUSNQYUQLIKIRW-JSGCOSHPSA-N 400.375 1.689 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1C(=O)O 2284396627 DUBLUQAFXDCQEI-GHMZBOCLSA-N 401.315 1.389 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC2CC(CC(=O)O)C2)OC1(C)C 2284409476 JOQVXELTXHKWPW-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CSCC[C@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284423369 QQVGZZZRWUEUEB-JTQLQIEISA-N 400.331 1.687 30 10 HDEE CC(C)[C@@H](C#N)CS(=O)(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O 2289603185 ZHCUUBOLZPEYOL-KBPBESRZSA-N 405.517 1.850 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)C(=O)C#CC(C)(C)S(C)(=O)=O 2339633467 FXNCFECMOONBMV-CYBMUJFWSA-N 400.522 1.975 30 10 HDEE CC(C)S(=O)(=O)C[C@H](C)NC(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362567328 QKCJRSCTPCPQHM-NSHDSACASA-N 402.347 1.384 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCOC1 2365202440 DSHUSLBKHZKDJE-XHSDSOJGSA-N 402.557 1.721 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H]([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]21 2365208064 BUAHXQDEBBCJEY-FXUDXRNXSA-N 400.541 1.555 30 10 HDEE C[C@@H]1C[C@](C#CC(C)(C)S(C)(=O)=O)(OCC(=O)O)CN1C(=O)OC(C)(C)C 2365242244 XPCZXBNYWCQMFH-ACJLOTCBSA-N 403.497 1.682 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2COC[C@@H]2CCS(=O)(=O)N2)OC1(C)C 2365694373 GJMMCQYMGGMJSK-AWEZNQCLSA-N 401.721 1.848 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](CNC(=O)OC(C)(C)C)OC 2367787641 LTRIHCGEPDMSDJ-JKSUJKDBSA-N 402.557 1.865 30 10 HDEE Cc1nc(C(=O)N[C@@H]2CC[C@@H]2S(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2368481885 UVEFSRIPEYAOIZ-MNOVXSKESA-N 400.331 1.056 30 10 HDEE NS(=O)(=O)c1ccc(NC(=O)CSc2n[nH]c(N/N=C/c3ccco3)n2)cc1 20832940 APSOBOIQJWHQQX-CAOOACKPSA-N 421.464 1.222 30 10 HDEE CCCNC(=O)CN1C(=O)/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc21 59147734 QCTCXCNRXFEWET-UZYVYHOESA-N 400.460 1.242 30 10 HDEE C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)CN(C)S(=O)(=O)c1cccnc1 62897754 HIUCTFLRNOUFAA-UHFFFAOYSA-N 404.448 1.825 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@@H](C#N)C(=O)N3)C1 72445665 PKEWNMSTNDYWJW-OAGGEKHMSA-N 421.457 1.773 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 105756431 RMJMBAVXDZQDLF-LJQANCHMSA-N 404.536 1.264 30 10 HDEE C#CCN(CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)[C@H]1CCS(=O)(=O)C1 250628456 CFKWVTAALXJAPU-DOTOQJQBSA-N 415.471 1.673 30 10 HDEE CCC(=O)N[C@@H]1CCCN(c2ccc(C#N)c(N3CCC[C@@H](NC(=O)CC)C3)n2)C1 302880564 IKULRVSHTZOWFK-QZTJIDSGSA-N 412.538 1.943 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)S(=O)(=O)NCC(F)(F)F 404809834 FCEYPFVLAUJWEK-UHFFFAOYSA-N 414.280 1.876 30 10 HDEE CC(C)N(CCNC(=O)C1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1)C(C)C 409469674 MHUMCHIZSNLBTQ-MRXNPFEDSA-N 403.531 1.184 30 10 HDEE C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409597149 VDYIOIGAVRDHPS-LSDHHAIUSA-N 406.450 1.666 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2CCO)CC1 430304599 OGTXOLAWWPPILD-WBVHZDCISA-N 406.508 1.125 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)c(F)c1 433446548 HGZRKPZXQVGIEJ-HNNXBMFYSA-N 401.485 1.027 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2OCCc3ccccc32)CC1 441295354 KFOBYKXIDPNELU-FQEVSTJZSA-N 411.483 1.705 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 460384927 JWKMYPSFRKYWID-PBHICJAKSA-N 421.523 1.787 30 10 HDEE CC[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@]2(CCOC2)O1 478354044 KFPRIGURKASRIZ-APWZRJJASA-N 407.492 1.289 30 10 HDEE CCOC(=O)c1c(NC(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c(C#N)cn1CCOC 481486976 AQDURKKMQLHXIT-NWANDNLSSA-N 417.466 1.314 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCCN(Cc3noc(C(C)(C)C)n3)CC2)cc1C#N 489604267 JRILFNRJJXRSKK-UHFFFAOYSA-N 418.523 1.839 30 10 HDEE N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CCCN(c4cccnc4)C3=O)C2)nc1 489983289 LIQHQLDZCQBMEA-ROUUACIJSA-N 406.446 1.707 30 10 HDEE Cc1nc(Cn2cc(C(=O)N[C@@H](C#N)c3ccc(Br)cc3)nn2)no1 494610929 GDUYSSHRWGERBU-LBPRGKRZSA-N 402.212 1.775 30 10 HDEE C=CCSCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 508573776 WUWONNKFUIFGON-KRWDZBQOSA-N 420.583 1.470 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CCCC[C@H]3[C@@H]3CNC(=O)C3)C2=O)cc1 508675965 HYYLCGFSZZRQFA-WDSOQIARSA-N 409.490 1.754 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 509883991 UJBBHFQYKIJOQX-LJQANCHMSA-N 404.474 1.586 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccc2F)c(=O)n1C[C@@H]1CCCO1 514475024 GEOLOCYKDTXYLB-HNNXBMFYSA-N 413.474 1.033 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Cc2cn3cc(Cl)cc(Cl)c3n2)CC1 522239574 PIQDOVARCPYNJS-UHFFFAOYSA-N 410.305 1.630 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)cc1 525318889 BNOMNTGQCJWKJN-UHFFFAOYSA-N 408.462 1.070 30 10 HDEE CCn1c(Cn2ccnc2C#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 534054968 GFTSPMSKQKRCAK-UHFFFAOYSA-N 400.464 1.194 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(NC(=O)[C@H](C)n3cnc(C#N)n3)cc2)CC1 539503690 YWGGDOZZKNFBRK-AWEZNQCLSA-N 402.480 1.770 30 10 HDEE COC(=O)C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)[C@H](C)n1cnc(C#N)n1 540604323 HPONOAPHTCBVKZ-WFASDCNBSA-N 413.434 1.417 30 10 HDEE Cn1cc(C#N)cc1C(=O)NC[C@@](C)(NC(=O)c1cc(C#N)cn1C)C(F)(F)F 560139279 FCFMAIQQYBVITJ-QGZVFWFLSA-N 406.368 1.588 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccc(C)o1 584279457 HCBYRYXWFODGAP-INIZCTEOSA-N 409.512 1.725 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C#N 584387017 CVHNSYDOQDAAIP-HNNXBMFYSA-N 400.460 1.971 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCC1 589214652 RZCYRZWWGVWSJM-INIZCTEOSA-N 410.927 1.508 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccc(F)cc1 590972638 JPQDNZKIPNGJKV-UHFFFAOYSA-N 411.458 1.969 30 10 HDEE Cc1nn(C)cc1[C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 609043117 ACHHNKSMRGCPTF-AWEZNQCLSA-N 416.507 1.377 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1occc1COc1cccc(C#N)c1 609517896 DJIXCWDQAHKRQP-KRWDZBQOSA-N 410.430 1.197 30 10 HDEE CCn1nc2c(cc1=O)CN(C(=O)N[C@@H]1CCCN(c3ccc(C#N)cc3)C1=O)CC2 611564528 UNCAVUBHZGVBAQ-LJQANCHMSA-N 420.473 1.398 30 10 HDEE N#Cc1cccc(CS(=O)(=O)NC(=O)c2ccc(-n3cnnn3)cc2Cl)c1 729194907 BLNDSSAHWLCOKO-UHFFFAOYSA-N 402.823 1.447 30 10 HDEE C#CCN(C(=O)c1nnn(-c2ccc(OC(F)F)cc2)c1C)[C@H]1CCS(=O)(=O)C1 731185533 FBTPWJXMHHSZON-AWEZNQCLSA-N 424.429 1.440 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N1CCN(C2CC2)[C@H](C#N)C1 732696479 GNSCFTHVZISQGB-OAHLLOKOSA-N 420.539 1.207 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 734291661 ZAVGVWXBUUFGOD-MRXNPFEDSA-N 404.492 1.599 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CCN(c3ccc(C(C)C)cc3)C2=O)CC1 741664070 CCYVXGDNFKYJOA-FQEVSTJZSA-N 412.534 1.609 30 10 HDEE C#CCN(C(=O)[C@H](C)Oc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 742051745 BVYIEMBSDDLPQJ-JSGCOSHPSA-N 400.294 1.865 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(N3CCOC3=O)c2)CC1 743234798 LPQZSSMSGSLEIB-UHFFFAOYSA-N 417.466 1.104 30 10 HDEE Cn1ccnc1C(=O)[C@@H](C#N)C(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1 770869412 WIXHYKGQGDCXTI-INIZCTEOSA-N 400.460 1.413 30 10 HDEE C#CCN(C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774168441 YAAUBWZZNMIWFW-VQTJNVASSA-N 419.547 1.200 30 10 HDEE Cc1cccc(NC(=O)CN2CCN(C(=O)[C@H](O)c3ccc(C#N)cc3)CC2)c1C 780853774 CQPHQRANMNZAKW-JOCHJYFZSA-N 406.486 1.991 30 10 HDEE CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@H](O)c1ccc(C#N)cc1 780923386 RSWDNULISGREGU-MRXNPFEDSA-N 403.236 1.846 30 10 HDEE O=[N+]([O-])c1ccc(NN=CCC[C@H]2CCOC2)c(S(=O)(=O)N2CCOCC2)c1 786035632 DVEWCVAFJIKHOH-AWEZNQCLSA-N 412.468 1.830 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccnc(N3CCCCC3)c2)cc1C#N 786466266 RFIHDINFBNQVRS-UHFFFAOYSA-N 407.474 1.885 30 10 HDEE C#CCn1ccc(CN(CCOC)Cn2nc(-c3cccc([N+](=O)[O-])c3)ccc2=O)n1 788366922 ROHMNRCDQMODLC-UHFFFAOYSA-N 422.445 1.754 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1 788609514 GFUSOFMOZMSJQR-UHFFFAOYSA-N 419.507 1.461 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(N(C)C)Cc3ccccc3C2)n1 789039567 DQQGPTMNMBCTFZ-UHFFFAOYSA-N 409.534 1.774 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(c3ccccc3[N+](=O)[O-])=NO2)n1 790109150 NHZVBJOTEJLBHT-LJQANCHMSA-N 411.418 1.593 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(c3cccc(C#N)n3)CC2)n1CCOC 802416991 JLEHQDSUPNRUOH-MRXNPFEDSA-N 415.498 1.242 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1 805784550 OPGSUQGVMVZGMR-MJGOQNOKSA-N 403.490 1.979 30 10 HDEE CCOCCCN1CC[C@H](NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)[C@@H](C)C1 806224968 BVVOYQLUDITNHS-LPHOPBHVSA-N 416.522 1.436 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C[C@H]2CCCS(=O)(=O)C2)C1=O 807929573 KWNFUZXKXLDSGU-GDBMZVCRSA-N 423.560 1.887 30 10 HDEE C[C@H](C#N)OCCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@H]43)[C@H]21 811362795 GOSDVHZETDQZDG-SOOSNCHXSA-N 420.465 1.938 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1)c1ccc(F)cc1 812937348 YKZYBIKILMXYOT-ROUUACIJSA-N 411.499 1.582 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CC(OC(=O)Nc3cccc(F)c3)C2)nc1 814250511 SERSSBDNMHWCKZ-UHFFFAOYSA-N 404.423 1.799 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)[C@@H]2CCN(C(C)C)C[C@@H]2c2cnn(C)c2)c1 849549335 TWOQJTMMIPUIFJ-FGZHOGPDSA-N 421.545 1.995 30 10 HDEE CCCCC(C)=NNc1nc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n[nH]1 1084045627 AVKBWFDSCMEEPL-UHFFFAOYSA-N 405.488 1.218 30 10 HDEE C[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OCc1ccccc1 1130292484 UADUIRYIZXYWHE-HNNXBMFYSA-N 415.471 1.740 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2C1=O 1132907008 BZKZSPNWBKHULR-UHFFFAOYSA-N 424.501 1.415 30 10 HDEE CNC(=O)c1ccc(OC)c(NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1141787729 IPUFSCHDIIOHHQ-UHFFFAOYSA-N 405.407 1.743 30 10 HDEE CN1CCC(N2CCC(NC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)CC1 1142767618 PHMOKMSNHDNANT-UHFFFAOYSA-N 422.526 1.411 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)c2ccccc2C1 1147755415 OWTUPFXPJABCDT-AWEZNQCLSA-N 412.471 1.230 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCOCC1)C1CCN(C(=O)OC(C)(C)C)CC1 1155359555 UYEWALFRIYXAMK-UHFFFAOYSA-N 407.511 1.487 30 10 HDEE C#CCC1(NC(=O)c2ccc(S(N)(=O)=O)c(Br)c2)CCOCC1 1155807987 ZHNHMSKFYOMDPG-UHFFFAOYSA-N 401.282 1.399 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@H]3NC(=O)C3(C)C)CC2)c1 1159133542 SXNZUDJZLYOKFZ-GOSISDBHSA-N 402.516 1.860 30 10 HDEE Cc1c(I)cc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCN(O)C1=O 1159642736 ZXJZGSVUUFLUKX-LLVKDONJSA-N 419.175 1.618 30 10 HDEE O=C1NCCOc2ccc(C(=O)N(O)CCCN3C(=O)c4ccccc4C3=O)cc21 1161802417 VTKFFOUNDOIVNY-UHFFFAOYSA-N 409.398 1.327 30 10 HDEE C#CCNC(=O)CN1CCCN(c2ccc3nnc(-c4ccc(F)cc4)n3n2)CC1 1162437352 KGOIAQUQZYFDNX-UHFFFAOYSA-N 407.453 1.192 30 10 HDEE CCc1nc(C#N)cc(N2C[C@H](C(=O)OC)C3(CN(C(=O)OC(C)(C)C)C3)C2)n1 1164225155 DLGGHFCLAMRKAW-CQSZACIVSA-N 401.467 1.757 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCN1CCN(Cc2nccn2C(F)F)CC1 1167950939 XQKRNIAHPORPLB-UHFFFAOYSA-N 413.428 1.695 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1171717502 UDFQJNMGJRLWBQ-QGZVFWFLSA-N 423.535 1.560 30 10 HDEE COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC#Cc1ccc(C(F)(F)F)cc1 1174976303 XRKKSRYDQUFXDP-GJZGRUSLSA-N 409.364 1.225 30 10 HDEE CN(C)CC[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccnc1 1178401138 RDKYEFKWSWFECS-IBGZPJMESA-N 400.504 1.677 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCC2(C#N)CCOCC2)C1=O 1180617276 QRFRCRHXDZATON-HNNXBMFYSA-N 408.499 1.186 30 10 HDEE COC(=O)[C@]1(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CCOC1 1224537930 PISVHNUAXHGQGS-NQIIRXRSSA-N 400.479 1.691 30 10 HDEE N#Cc1ccc(CCNC(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1230872398 FCCCKLLGHSSCFZ-UHFFFAOYSA-N 416.279 1.987 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)NCC[C@H]3CCCS3(=O)=O)CC2)c1 1246804860 XHCRTISUVYRGGN-GOSISDBHSA-N 418.519 1.886 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1251572504 AFXQJSLCPPNYNZ-PLNGDYQASA-N 400.483 1.866 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1ccc(C(N)=O)nc1 1286302174 KRRADSDKFWQBPD-MRXNPFEDSA-N 404.474 1.900 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC[S@@](=O)CC 1286429698 HOEPMZGZBOSJJM-LJAQVGFWSA-N 408.531 1.748 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCO[C@H](c2nccs2)C1 1286819641 QUEFZNDXXPGHQG-AWEZNQCLSA-N 409.537 1.791 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@@H](C)C#N 1286819882 YPMXDYQDNHIILT-ZDUSSCGKSA-N 420.495 1.202 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)cs1 1292746362 NYAQKLGNCOBFQX-AWEZNQCLSA-N 420.564 1.987 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)C1=O 1297272372 FLPLKRGFIWZCHF-VLIAUNLRSA-N 424.498 1.100 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc3ncccc3O)cc2C1=O 1297609002 DTPRJZPVQNQXGQ-CHWSQXEVSA-N 422.441 1.962 30 10 HDEE Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)N[C@H]1CCN(O)C1=O 1298427514 VRPPEYVXMGQOSI-HNNXBMFYSA-N 407.423 1.655 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1298605160 WZUGGPDEILFNFG-FBMGVBCBSA-N 417.420 1.958 30 10 HDEE Cn1cnnc1Cn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@@H](C#N)C1 1298870523 BXNGUFOUDYITKA-HNNXBMFYSA-N 414.857 1.416 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1298915378 AFGRATFPAKZEPH-MRXNPFEDSA-N 423.477 1.230 30 10 HDEE C[C@H](CC(=O)N1CC[C@H](Nc2ncccn2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1299885862 JQGXQAXPGNUQLL-KGLIPLIRSA-N 414.491 1.007 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1300320066 DTLAMGIHFVYSAH-GOSISDBHSA-N 422.533 1.743 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1300358018 FYOAHOODCRTGRS-INIZCTEOSA-N 417.539 1.304 30 10 HDEE C#CCCCn1c(CCOc2ccccc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1300419495 NTBKCAWKXRQMNF-GOSISDBHSA-N 408.506 1.869 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1300501382 LEZQKWKBSGJJSS-INIZCTEOSA-N 408.549 1.594 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](COC(C)C)C1 1301017269 IDDFHWOCRNHNJB-KGLIPLIRSA-N 421.951 1.271 30 10 HDEE C=CCC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1301155293 LOHQSCJNSBPILY-HOTGVXAUSA-N 400.527 1.718 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1301236218 BTODOGLAYUYRJN-MRXNPFEDSA-N 404.515 1.269 30 10 HDEE C=CCN(CC=C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCN(C)C1 1301373115 SIHAZEVTZFBMRU-SFTDATJTSA-N 405.543 1.564 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOCC2(CCC2)C1 1301588648 IHBMXUIUXKHLKA-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)c1 1303902473 JDLUSWKEUXHBHC-KRWDZBQOSA-N 408.520 1.545 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCCCCO)CC1 1303942371 RBIAAUXUKCOSKN-MRXNPFEDSA-N 409.556 1.863 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1304270767 IKYBYEJYUNSSCI-XMDUPGNXSA-N 411.524 1.467 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 1306012799 AXZBDHVGAXZSIC-UHFFFAOYSA-N 400.447 1.474 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1309460953 CDMUDTHGUKBLIF-SFHVURJKSA-N 414.487 1.820 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)NCC4(C#N)CC4)C3)[C@@H]2C1 1312606276 NDSICUWKJCHTDW-KFWWJZLASA-N 419.482 1.514 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1312612167 GBOIDCJQEXRDLR-PXNSSMCTSA-N 402.495 1.042 30 10 HDEE C[C@@]1(c2cccc(CNS(=O)(=O)c3cccc(F)c3C#N)c2)NC(=O)NC1=O 1320057102 IECDUNWGFKVTJB-SFHVURJKSA-N 402.407 1.230 30 10 HDEE C=CCO[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)C1 1320157248 TXCWOFUIFZBTPW-LJQANCHMSA-N 421.563 1.413 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCC(C)(C#N)CC1 1320793132 OJNIEAPBJHZYDD-MRXNPFEDSA-N 421.519 1.381 30 10 HDEE C=CCO[C@H]1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)C1 1323715348 LZPYPDMBVVTTDN-HNNXBMFYSA-N 414.911 1.778 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc(C#N)nc3)cc2)C[C@@H](C)O1 1349090207 NKKSGUZBSRABNU-HUUCEWRRSA-N 414.487 1.932 30 10 HDEE C#CC(C)(C)NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1I 1353405520 JJJPBSGQACQKLL-UHFFFAOYSA-N 420.272 1.683 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCCN1CCOCC1 1358887100 PMVRAMFWIDOPMQ-INIZCTEOSA-N 421.505 1.774 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1CC[C@@H]1COCCO1 1358989510 FKGIJLRGORPUQH-LJQANCHMSA-N 422.485 1.985 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCNC(=O)[C@H](C)CCC 1359010544 SQDOKMLFCTYSEQ-HZPDHXFCSA-N 409.556 1.192 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2oc(CCC)nc2C)CC1 1359035600 YMVPBOCBTSNMME-INIZCTEOSA-N 411.510 1.282 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCc2nccnc2C)CC1 1359037554 NVBNDRZXDIKMLA-UHFFFAOYSA-N 422.562 1.730 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)=O)CC1 1359059529 QHFOHRFMXPAKDL-UHFFFAOYSA-N 404.565 1.669 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N(CC)CC 1359064264 OVYOAASWLJBOIM-JTDSTZFVSA-N 410.588 1.611 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)C1 1359319928 JAYFPKDOMPNSSA-CVEARBPZSA-N 410.540 1.878 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1359331465 ADDOBMXDYVGOIR-KRWDZBQOSA-N 423.583 1.305 30 10 HDEE CC(C)C(=O)NCCCn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1359633102 XZVHGHZEGLRCSY-SFHVURJKSA-N 414.485 1.899 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 1360102926 QLKXYOUJZMUJEZ-HKUYNNGSSA-N 407.536 1.220 30 10 HDEE Cc1nc(=NC(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)n(-c2ccc(C#N)cc2)[nH]1 1360809509 CEZGKVSJEUUMSY-MOPGFXCFSA-N 404.478 1.277 30 10 HDEE COc1ccc(Cl)cc1C(F)(F)C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1439797395 QNTDRNUSCWNIES-ZUZCIYMTSA-N 404.822 1.837 30 10 HDEE N#Cc1ccccc1COc1cccc(C(=O)NC[C@@]2(O)CCS(=O)(=O)C2)c1 1449681577 AOVLJYNAVSVIGG-FQEVSTJZSA-N 400.456 1.417 30 10 HDEE O=C(CN1C(=O)C(F)(F)Oc2ccccc21)NC[C@@H](O)C(F)(F)C(F)(F)F 1455203599 ZBAODEPXRSSWMY-SECBINFHSA-N 404.238 1.680 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CC(=O)N(CC3CC3)C2)C1 1455207594 HQADSRONUACOMB-INIZCTEOSA-N 417.307 1.884 30 10 HDEE CC(C)(C)OC(=O)C[C@@H]1CCCCN1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1461339548 BNWGNBVKANWACM-AWEZNQCLSA-N 421.519 1.838 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)N=[S@](C)(=O)c1ccccc1F 1462893107 BLVYEPVOSQESGL-SFDCACGMSA-N 410.514 1.202 30 10 HDEE CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)c1c(C)cc(F)cc1C#N 1464661809 ANUNAYGFWOYVKZ-HUUCEWRRSA-N 413.471 1.918 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Oc2ccccc2C(F)(F)F)CC1 1471450473 ALSAULIOWRNBKW-ZDUSSCGKSA-N 419.425 1.085 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H]4CS(=O)(=O)C[C@H]4C3)CC2=O)cc1Cl 1471723087 LZIGRXUUWFRLSC-RRFJBIMHSA-N 421.906 1.458 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3cc(S(=O)(=O)CC#N)ccc3F)O2)[C@@H]1C 1471929347 JVYOUJHKBMWWID-UMCXVIDHSA-N 410.467 1.825 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)C1 1472293939 ZWSKBZUWEYFMTB-IAGOWNOFSA-N 423.510 1.202 30 10 HDEE CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCC1(C#N)CCOCC1)C2=O 1472338845 IAPYDYNWKKTFQP-UHFFFAOYSA-N 404.511 1.950 30 10 HDEE CCCOCc1ccccc1CNC(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1473825023 ZJLHLYDYKWLZLE-ICSRJNTNSA-N 405.520 1.100 30 10 HDEE N#CCc1cccc2c1CCN(C(=O)NCCNS(=O)(=O)c1cccs1)C2 1478258598 LPFUWAXCFQLZIJ-UHFFFAOYSA-N 404.517 1.860 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(C#N)o1 1504941476 LMNRKYLHXGWWQY-CQSZACIVSA-N 418.498 1.866 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1Cc1cccc(CS(C)(=O)=O)c1 1507528494 NKWHLRRMYBTCRI-OAHLLOKOSA-N 410.503 1.786 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCC(N(C)C(=O)OCC)CC1 1507571884 PYEFKJUJHQUFTE-UHFFFAOYSA-N 416.526 1.985 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCC)CC1 1507729025 CZFOLXMRTQVLTQ-QGZVFWFLSA-N 418.542 1.752 30 10 HDEE C=C(Br)Cn1c(Cc2cccnc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1507787130 FOJDWZFEOHSANF-OAHLLOKOSA-N 417.311 1.984 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1508091665 NTYFUYVMPFHVGK-INIZCTEOSA-N 404.559 1.910 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC(=O)N1CCOCC1 1508417614 ZZASWHMACILKMW-AWEZNQCLSA-N 413.438 1.308 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)CC1 1516733433 OJZUCKJEVXDWQT-UHFFFAOYSA-N 406.494 1.913 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@]2(CCOC2)O1 1519162971 IPHOERPSNWMWRG-OXJNMPFZSA-N 413.482 1.440 30 10 HDEE CO[C@H]1CCN(c2nnc(CC(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519492525 SZSPDHVFYDPCSZ-DNZUHHBVSA-N 402.499 1.618 30 10 HDEE COCCN1C(=O)c2ccc(C(=O)N(C)c3cc(C#N)ccn3)cc2S1(=O)=O 1523472052 PZFWTYWCPCPBMX-UHFFFAOYSA-N 400.416 1.021 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3cc(C#N)ccn3)n(C)c2)C1 1523472460 VTVFAYMKBVWLGQ-CQSZACIVSA-N 401.492 1.989 30 10 HDEE COc1ccc(CCN2C[C@H](C(=O)N[C@@](C)(C#N)CN(C)C)CC2=O)cc1OC 1525356311 BGOWRDXCLRFSIZ-IERDGZPVSA-N 402.495 1.055 30 10 HDEE C=CCn1cc(CNC(=O)[C@]2(C)C[C@@H](OC)CN2C(=O)OCc2ccccc2)nn1 1529264845 LLBQOBNJGWXEGD-NQIIRXRSSA-N 413.478 1.897 30 10 HDEE C#C[C@@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C1CCOCC1 1533501374 SVUPAEHOFYVMKU-QGZVFWFLSA-N 403.504 1.392 30 10 HDEE N#Cc1ccc(NC(=O)Cn2nc3n(c2=O)CCCC3)c(I)c1 1538267930 UZGSPMBPPFDBCQ-UHFFFAOYSA-N 423.214 1.496 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@@H]1C 1539085675 PCESSUPVFYUTTI-DLBZAZTESA-N 418.542 1.197 30 10 HDEE C[C@H](C(=O)N1C[C@@H](NC(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)n1cnc(C#N)n1 1539143661 JYTJQLLXOXDQJD-VGMNWLOBSA-N 412.294 1.311 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)CC)CC1 1539477841 ZZGKHXVZYNKRMC-MRXNPFEDSA-N 400.527 1.631 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCN(C(C)C)CC1 1539644025 NRJDOBLVTLTGPR-RXVVDRJESA-N 416.570 1.912 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CCN(C(C)C)CC2)C1 1540891264 RMLFBBRQTVHZJG-MOPGFXCFSA-N 419.570 1.799 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1542805377 PFIVCEGEIOAYKS-IRXDYDNUSA-N 407.511 1.533 30 10 HDEE N#C[C@H](c1ccc(Br)cc1)N1CCN(C(=O)c2cc(O)ncn2)CC1 1543136609 ALFACWCCPSWHCS-OAHLLOKOSA-N 402.252 1.967 30 10 HDEE COC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ccc(C#N)c(OC)c2)c1 1543894534 DARZYKALRNPRFP-UHFFFAOYSA-N 403.416 1.270 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@]1(N(C)C)CCSC1 1555672780 XJZMBIYSLMKRCG-MDZRGWNJSA-N 424.571 1.168 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 1556132788 UFTPWPPMUURNLH-HOTGVXAUSA-N 421.519 1.898 30 10 HDEE N#CCC1(O)CN(C(=O)c2cnn(-c3ccccc3)c2I)C1 1556250353 PJOXMCVVLVXABK-UHFFFAOYSA-N 408.199 1.577 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC[C@H]3CCCCN3CCO)C2)C1 1556714392 FVCQTASENJVYPG-NYXBAERPSA-N 420.554 1.736 30 10 HDEE C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1556758434 KLISRGCVHAJKEG-ZDUSSCGKSA-N 424.523 1.535 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCN(S(=O)(=O)NCc4ccccc4)CC3)ccc12 1557382714 FOMFULKPZQZTBZ-UHFFFAOYSA-N 423.498 1.832 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)C1 1558330319 ZSOXMHDZGADHNH-CVEARBPZSA-N 415.490 1.279 30 10 HDEE Cc1cc(C)cc(OCc2noc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)n2)c1 1560169120 ZLOOXIHYAOVZMV-KXBFYZLASA-N 402.476 1.636 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)CCCS(=O)(=O)C(F)(F)F)C(=O)OCC 1561828584 SLENCIBYLVPAPH-SECBINFHSA-N 415.839 1.305 30 10 HDEE C=CCC[C@H](CO)NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)OCC)o1 1568994712 BWIXYUJINDCLHU-ZIAGYGMSSA-N 414.480 1.053 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(OC)c(S(C)(=O)=O)c2)c1 1570367007 NMCZYNQYKOWDPI-UHFFFAOYSA-N 424.500 1.815 30 10 HDEE CSc1nc(C2CC2)cc(C(=O)N2CCO[C@]3(CCS(=O)(=O)C3)C2)c1C#N 1570696525 BEBODPDBQXCUMS-GOSISDBHSA-N 407.517 1.582 30 10 HDEE CO[C@H](CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@H]1CCOC1 1584224462 PSTGZTLIOCQOPD-YFUGFCHXSA-N 407.511 1.941 30 10 HDEE COc1cc([C@@H](C#N)NC(=O)CN2CCCC3(CC3)S2(=O)=O)cc(OC)c1OC 1584301657 CCMWDTTXUHHUBT-CQSZACIVSA-N 423.491 1.351 30 10 HDEE CC(C)(C)CNC(=O)c1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1 1585660098 FABWLQZQSCZLSC-OXJNMPFZSA-N 403.504 1.473 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 1585667261 NSNYQMHZGHNMTJ-LBHSNNGHSA-N 400.519 1.845 30 10 HDEE Cc1c(C#N)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)nn1C 1586037215 OXVIZCFWPJHIDP-UHFFFAOYSA-N 401.492 1.956 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1587842991 YKMBMCNQYAYFGP-UHFFFAOYSA-N 410.526 1.818 30 10 HDEE C#CCCCn1c(N2CCOC3(CCOCC3)C2)nnc1[C@@]1(OCC)CCOC1 1587893831 IWMWCQSJLXFHJY-OAQYLSRUSA-N 404.511 1.729 30 10 HDEE C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(c3ccc(C#N)cc3)CC2)C1=O 1587955858 ISSGEALJENIOAP-QHCPKHFHSA-N 417.469 1.674 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1Cc1ccnc(C(F)(F)F)c1 1588074537 ODJCVPXNYVSVRF-UHFFFAOYSA-N 404.396 1.951 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCc2ccccc21 1588171140 VHNPTJWTAWWFGI-XMMPIXPASA-N 417.513 1.811 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCN(C)Cc2ccccc2)CC1 1588812147 PPOVWWJUHRXBQP-OAQYLSRUSA-N 408.550 1.669 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCCOC(F)F)CC1 1588923743 KXPKSQDTWUJOAH-UHFFFAOYSA-N 419.436 1.330 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1593636123 HHOUJQQKKJDZTE-HZPDHXFCSA-N 410.540 1.531 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CCN(c2ncc(F)cn2)CC1 1593776667 OBTIKTBOKPXMNX-QGZVFWFLSA-N 417.489 1.978 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(O)CCN(C)C1 1595251829 XWEDCVGFXKDRQV-LAUBAEHRSA-N 414.510 1.124 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1595523333 UKLCHLXGVAWMCF-MRXNPFEDSA-N 411.510 1.335 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N(C)Cc1ncc(Cl)n1C 1595529675 CLKZYDQTORGBGA-UHFFFAOYSA-N 401.862 1.061 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1595556293 QPZQIHOLNVNOPD-SFHVURJKSA-N 423.496 1.487 30 10 HDEE C=CC[C@@]1(C(=O)N(C)N2CCS(=O)(=O)CC2)CCCN1C(=O)OC(C)(C)C 1596057509 CKIJPNFMJLWEGO-SFHVURJKSA-N 401.529 1.436 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCC(F)F 1613478123 DZYVBPMYZZXBRT-CVEARBPZSA-N 418.448 1.930 30 10 HDEE N#C[C@]12CN(C(=O)[C@H](c3ccccc3)N3CCCCC3=O)C[C@H]1CS(=O)(=O)C2 1618171714 JBCYFNGMKXWBGD-XKGZKEIXSA-N 401.488 1.137 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nnc(C)s2)C[C@H]1OC 1620145069 FDYYAZOQOLMJAP-IYBDPMFKSA-N 411.491 1.875 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)CCn3cc(C#N)c(O)nc3=O)[C@@H]2C1 1626697402 BBWJTCXINLISSD-DZGCQCFKSA-N 417.466 1.069 30 10 HDEE C[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H](C)N1C(=O)CCn1cc(C#N)c(O)nc1=O 1627298756 BWXIEKUUSBFCNW-MCIONIFRSA-N 419.482 1.455 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)N(Cc1cccc(C(F)(F)F)c1)[C@H](C)C#N 1630584153 LTBCGWJWXYPCQU-VXGBXAGGSA-N 409.372 1.137 30 10 HDEE C=CCn1c(SCC(=O)NC2=NCC(=O)N2C)nnc1-c1ccc(Cl)cc1 1630685495 FSGTVGNKOFCLTN-UHFFFAOYSA-N 404.883 1.821 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CC[C@@H]([C@@H]1C(=O)Nc1ccn(CCC#N)n1)N2C(=O)OC(C)(C)C 1634122451 SPAXOXJOGHBVBI-DARAHFNDSA-N 417.466 1.922 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)n1 1634602090 VWAWJRDHLNIJDY-SJLPKXTDSA-N 422.526 1.355 30 10 HDEE Cn1c(CNC(=O)c2ccc(-n3ncc(C#N)c3N)cc2)cc(=O)n1-c1ccccc1 1635387159 JIFZWZUAAATLEA-UHFFFAOYSA-N 413.441 1.746 30 10 HDEE C#C[C@@H](NC(=O)N1CCC[C@@H](S(N)(=O)=O)C1)c1ccc(Br)cc1 1636562986 QYCAODQDEJQSEZ-ZIAGYGMSSA-N 400.298 1.586 30 10 HDEE C=CCC[C@@H](NC(=O)[C@]1(COC)CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1636821901 JDMHDFCTEAXXKK-FOIQADDNSA-N 414.499 1.653 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1636839330 ZKIXHECPESSHAA-RYUDHWBXSA-N 413.425 1.512 30 10 HDEE C#CCOc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2NS(C)(=O)=O)cc1 1636915950 NITNRVNIKJOZIQ-UHFFFAOYSA-N 415.471 1.959 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(c3ncc(F)cn3)CC2)c1 1638310514 HWDLPMBPDYUPHI-UHFFFAOYSA-N 407.402 1.014 30 10 HDEE Cc1cc(O)nc(N2CCN(C(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)n1 1638488281 COWFSYRDHRUVFW-UHFFFAOYSA-N 404.434 1.093 30 10 HDEE CC[C@@H](C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1639179778 YJDDEVRYMIWRNZ-GJRWTSMGSA-N 413.540 1.713 30 10 HDEE C[C@H](Sc1nc(CC(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cs1)C(N)=O 1639961538 DKNGWPDWTNATTL-XHDPSFHLSA-N 404.517 1.715 30 10 HDEE C#C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CCOCC1 1640925487 JKJDTDMNRMFGKM-GOSISDBHSA-N 417.531 1.830 30 10 HDEE C#C[C@H]1COCCN1CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21 1643379897 SJEZSMBHDZHDSP-SFHVURJKSA-N 417.531 1.084 30 10 HDEE Cc1c(C#N)c(NC(=O)CNC(CO)(CO)C(F)(F)F)n(C2CCCC2)c1C 1643893420 QXOJAQIVYSMQIB-UHFFFAOYSA-N 402.417 1.906 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)NN2C(=O)[C@@H](C)N(C)C2=O)cc1OC 1645974626 QLZPIVWRLCGPIM-CYBMUJFWSA-N 406.439 1.538 30 10 HDEE Cn1cc(CC2CN(C(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)C2)cn1 1647916509 DDDWMPWEPQMBNN-GOSISDBHSA-N 406.446 1.198 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)Nc1cccc2ncnc(O)c12 1651638191 NIMBQHBVDYMCDD-UHFFFAOYSA-N 411.443 1.793 30 10 HDEE N#Cc1cnc(NCC(=O)NCC(=O)NCc2ccccc2)c(Br)c1 1652212495 QJHHJQHUJJQREI-UHFFFAOYSA-N 402.252 1.560 30 10 HDEE Cn1c(=O)sc2cc(S(=O)(=O)N3CCN(c4ccc(C#N)cn4)CC3)ccc21 1653731792 GTZUDGHVBLJIJM-UHFFFAOYSA-N 415.500 1.378 30 10 HDEE COC(=O)C1([C@]2(O)CCCN(C[C@H](O)COc3ccc(CC#N)cc3)C2)CCC1 1655701853 VQHZZOSXPFNDTJ-AVRDEDQJSA-N 402.491 1.663 30 10 HDEE COC(=O)[C@@H]1CN(C)C(=O)CN1CC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccc1 1656388523 QHYIZINWOBXEML-SFHVURJKSA-N 423.473 1.220 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NCc2ccc(S(N)(=O)=O)c(Cl)c2)C1 1657689571 HIXGVPJLDUUNOR-OCCSQVGLSA-N 414.915 1.836 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)CN(C)C[C@@H](O)c2cccc(C#N)c2)ccc1C 1659321677 DSGHQUNRZJPOMQ-GOSISDBHSA-N 416.503 1.379 30 10 HDEE CC(=O)NC[C@H]1CCCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 1661088766 GPPOSGUSFJJPCZ-LLVKDONJSA-N 418.288 1.997 30 10 HDEE C=CCCC[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C)C(=O)OC 1671557477 SFXXVJGVJMTNDQ-ZDUSSCGKSA-N 404.510 1.113 30 10 HDEE CN(C)C(=O)N(C)[C@@H]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C1 1686055497 KURRUDNSYLMBDZ-RBSFLKMASA-N 408.503 1.143 30 10 HDEE C#CCCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C(=O)NC)C1 1689940103 NTTHKHMCTZMGOE-KRWDZBQOSA-N 401.442 1.361 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1689991216 YLSFFIMIDDZNFF-KURKYZTESA-N 420.535 1.492 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 1689994230 UMHPBYHHXKMFAT-QZTJIDSGSA-N 415.519 1.070 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)Oc2ccc(F)cc2)n1CCCn1cnnn1 1690001260 IEEIMMJMDXJDRJ-MRXNPFEDSA-N 408.441 1.707 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCNS(C)(=O)=O 1690087364 VATPVKVCEMQVSK-HZPDHXFCSA-N 411.572 1.596 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)c(O)c1 1690106054 IQQOZJLOSGPWOA-UHFFFAOYSA-N 413.478 1.249 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(Cl)cn2)CC1 1690120191 KPXNEYQEDSLRLU-UHFFFAOYSA-N 424.896 1.618 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CCCNC(C)=O)CC1 1690132177 JWBWEFVQXYWWQG-UHFFFAOYSA-N 410.522 1.447 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCO[C@@H]2C(=C)C)CC1 1690154591 TUZJVSGDKPTYHI-AZUAARDMSA-N 415.538 1.762 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1690299443 RDCBUQAUGDREBC-SFHVURJKSA-N 420.558 1.168 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(C)(=O)=O)CC1 1690360946 CHSVFCKZMQVEJC-ZFWWWQNUSA-N 418.947 1.768 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccnc2)CC1 1690396633 IAKAIVAKXMSZFZ-HNNXBMFYSA-N 404.540 1.928 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(CCC)C(=O)C1 1690470472 CJPBSTKPONVHEE-HNNXBMFYSA-N 412.560 1.303 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1690481148 VHZXYTHFHYYRTE-UHFFFAOYSA-N 407.544 1.505 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](CNC(=O)CCC)C1 1690643818 XLSBUSVNRYLNHL-JKSUJKDBSA-N 409.556 1.499 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1690731170 BSLBPZJTKJJSJD-GVDBMIGSSA-N 409.556 1.403 30 10 HDEE C=CCN(CC=C)C(=O)CN[C@@H](C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1691672075 NYRXIJFLNXZUAC-MZNRPPOFSA-N 401.551 1.827 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1692564326 CVHUEUJEOCSCBK-AWEZNQCLSA-N 402.430 1.250 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1CCCN1C(=O)NC2(CCCC2)C1=O 1696243296 FZJISBZDQUQXHP-OAHLLOKOSA-N 417.514 1.665 30 10 HDEE CN(C)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1696596553 BYQGLOZHEGRMRM-HOCLYGCPSA-N 410.507 1.828 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1696842781 ULLUYFMBLNOKGT-OAHLLOKOSA-N 404.421 1.813 30 10 HDEE COC[C@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(CO)CC1 1697788163 WUVKLLHGOAWCDH-QGZVFWFLSA-N 403.458 1.922 30 10 HDEE COCCO[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2nncn2C)C1 1698191762 SMFOIOZNRQAKFG-GOSISDBHSA-N 422.493 1.625 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CO)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1698485382 XPWMGLHNHPSWBV-KRWDZBQOSA-N 423.477 1.014 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CC3)n2CCS(=O)(=O)Cc2ccccc2)CCO1 1698492661 DYSNKAPTZPGMMT-KRWDZBQOSA-N 401.492 1.499 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CCN1CCN(C)C(C)(C)C1 1705474695 FJLTYQRCMFKYSQ-KRWDZBQOSA-N 417.602 1.680 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2Cc2nncn2C)c1 1705504765 DCIOCALRGUZPON-UHFFFAOYSA-N 415.461 1.506 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCc1cccnc1)[C@H]1CCS(=O)(=O)C1 1705572256 VNHXWHNTJKGJLC-ZWKOTPCHSA-N 415.519 1.394 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)cc1 1705573266 CSSLQSWZXZLZGQ-CQSZACIVSA-N 405.911 1.663 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CC1(O)CCOCC1 1705607263 XLMKOIABWDGQFM-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1705610365 LXBKASQDSMVLNI-OAHLLOKOSA-N 411.432 1.401 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCC2 1705717932 VXFFQPASZZFEEJ-AWEZNQCLSA-N 405.528 1.169 30 10 HDEE C=C(C)COCCn1c([C@H]2COc3ccccc3O2)nnc1N1CC[C@H](C(N)=O)C1 1705737597 VXMSKZACVQOWPP-MAUKXSAKSA-N 413.478 1.695 30 10 HDEE C=CCC(C)(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(S(C)(=O)=O)CC1 1705787669 ZPTMCIGMBDBZNS-UHFFFAOYSA-N 412.560 1.100 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)O[C@H](CC)C1 1705895083 SZTHRTREQLEZJK-LSDHHAIUSA-N 413.482 1.231 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(OC)c(O)c1 1705908606 FDCGLBYNRLSRIE-QGZVFWFLSA-N 401.467 1.782 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2OCC[C@H]2C)C1 1705925118 LHPOWMZOAYMYMB-YYIAUSFCSA-N 410.540 1.387 30 10 HDEE CC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCS(=O)(=O)N(C)C)C1 1709294755 APHGHYBJHPHWHV-HNNXBMFYSA-N 402.524 1.944 30 10 HDEE CNC(=O)CCn1c(Cc2cn3ccccc3n2)nnc1N1CCC[C@](C)(C#N)C1 1711403069 FSTKXOWWABRVLI-OAQYLSRUSA-N 406.494 1.783 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nnc2n1CCCCC2 1722294396 GYGFZMVVXZQLAB-LSDHHAIUSA-N 417.539 1.004 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1722343194 FCNMSNHIMXZCFO-IBGZPJMESA-N 410.540 1.355 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(COC)CCC1)[C@@H]1CCS(=O)(=O)C1 1722368693 UYWTXNCFQUYHJV-IAGOWNOFSA-N 422.551 1.225 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1722382195 FYMXURRFKNHATO-LJQANCHMSA-N 412.515 1.448 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(F)cc2)n1C[C@]1(O)CCO[C@@H]1C 1722426356 AISSCVVCZGCGLY-IIBYNOLFSA-N 418.469 1.622 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCCCC2)CC1 1722432743 CMTUUPLMUXYJSS-QFIPXVFZSA-N 416.570 1.171 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N(C)[C@@H]1CCCN(c2cccnn2)C1 1722690391 JDOPDZBTMINSAC-IAGOWNOFSA-N 412.542 1.989 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2C[C@H]2CCCN2c2cnn(C)c2)C1 1722723020 UPZNYQCDXODPNL-MJGOQNOKSA-N 415.542 1.998 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1722864485 ADVNOXNWOZRJNI-XOBRGWDASA-N 407.482 1.678 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1722870563 QYFYODMJHZPHJA-QVKFZJNVSA-N 407.478 1.803 30 10 HDEE CC1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)CC1 1726590126 HJRQROJWFQGTAR-SJORKVTESA-N 403.531 1.265 30 10 HDEE CN1C[C@@](C)(Cn2c(-c3cccc(Cl)c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1729592002 FOOSPDKSPNULSS-BEFAXECRSA-N 400.870 1.806 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1740616468 BNRJVTOXPCOCOQ-INIZCTEOSA-N 402.524 1.369 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCC2)CC1 1740689558 BGQIPHIIDYYPJH-INIZCTEOSA-N 408.572 1.224 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(Cl)cn2)CC1 1740825665 QZUCFMWKBLOYTN-CQSZACIVSA-N 410.931 1.887 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1740839493 KEGBGFBJGOOQMZ-RJCBAWPRSA-N 412.494 1.711 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCC2)C1 1740887782 GGAUCVZTJCCKPG-HNNXBMFYSA-N 413.544 1.240 30 10 HDEE C=CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740901329 OOFQGXSKSWACDU-SFHVURJKSA-N 410.927 1.694 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCn1cc(Cl)cn1)C1CC1 1740909829 AVYWZGAFZLJBIG-ZDUSSCGKSA-N 410.931 1.885 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1740958009 GXUGAOJQHWRIHJ-HXUWFJFHSA-N 424.549 1.703 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N(C)Cc1cc(C)on1 1740990702 DKNONHAUTFQXSY-HNNXBMFYSA-N 409.512 1.706 30 10 HDEE C[C@]1(Cn2c(COc3ccccc3F)nnc2N2CCO[C@H](C#N)C2)COCCO1 1742016192 OPIUFXMSNXOJDM-QRWLVFNGSA-N 417.441 1.530 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCCCCO)CCO1 1748209050 CUHYGTPBJZKMHL-GOSISDBHSA-N 412.494 1.321 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1748667488 VEANMHPVCYZPFE-ARFHVFGLSA-N 423.525 1.188 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(=O)CCC)C1 1748730963 WIVDCFCPWQAZCZ-QGZVFWFLSA-N 402.543 1.962 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CCC1(F)CCC1)[C@@H]1CCS(=O)(=O)C1 1748814841 KBBGEYPGZKHZNY-CABCVRRESA-N 423.514 1.138 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCOCC(F)F)CC1 1748984654 XJJNPLIJBSTMMJ-UHFFFAOYSA-N 405.449 1.991 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@]2(O)CCCC2(C)C)CC1 1748990523 HYQXORKWCZWMSW-XMSQKQJNSA-N 401.555 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](OC)C2CC2)CC1 1749010716 VTAQFKUYMAFJNL-RBUKOAKNSA-N 415.538 1.911 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 1749019967 HHERDBBSNXTCSW-CHWSQXEVSA-N 419.473 1.939 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCCN1CCC(O)CC1 1749064928 OLCYJTQQTQGOQZ-DYESRHJHSA-N 400.527 1.068 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCC(S(=O)(=O)CC)CC1 1749458126 YSFQHDIXOIMNFG-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(CCN2CCN(c3ccccc3)CC2)nnc1N(C)C1CC1 1749677085 MQGAUKPYQZQIFY-UHFFFAOYSA-N 423.565 1.544 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCCOC2)C1 1749729803 SEZUPXRAPFOBPH-FQEVSTJZSA-N 419.551 1.891 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(F)(F)Br)C1 1750380206 MBAFMKPUZKJUCO-QPUJVOFHSA-N 407.194 1.659 30 10 HDEE CC(C)OCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1751044597 NYYSXEYCYFJIBD-SFHVURJKSA-N 415.542 1.506 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1CC1=CCCOC1 1751211860 UPAWMFLGXUIPSM-CQSZACIVSA-N 408.528 1.365 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@]1(O)CCc2ccccc21)[C@H]1CCS(=O)(=O)C1 1760181311 SDIXBXWISIGPRI-PXNSSMCTSA-N 400.504 1.047 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccc(F)cc1)[C@H]1CCS(=O)(=O)C1 1760181421 VGIFUUZHOUMOSF-YOEHRIQHSA-N 406.483 1.820 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCN(CC)CC1 1760204189 HIXMHNYHIMGPBC-FQEVSTJZSA-N 405.550 1.363 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1ncnn1-c1ccccc1 1760247875 SXWNHBFDIUACDN-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCN(CC)CCC)CC1 1760269368 GKSSYUZVTBINHJ-LJQANCHMSA-N 416.570 1.480 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1760494749 ZMYVMPUHMTZZFK-IAGOWNOFSA-N 409.556 1.632 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1760598080 LWMVIRRBBCYKHF-GOSISDBHSA-N 407.478 1.154 30 10 HDEE Cc1ccc(C)c(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(C)CN(C)C2=O)c1 1761728603 ATTKSJVKIWAOJR-HTAPYJJXSA-N 424.505 1.681 30 10 HDEE CCc1nnc(N2CCc3ccc(OC)cc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764849094 FGSWTKDLAFPZAU-MRCUWXFGSA-N 422.489 1.938 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@H](C)CN1CCOCC1 1764908867 AAYWGUDZDILCTN-GOSISDBHSA-N 424.553 1.402 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1766563336 QVSFADHZPJATLU-IERDGZPVSA-N 415.494 1.741 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@@H]1C 1767946337 XQFCPFVDZROUQM-AWEZNQCLSA-N 421.465 1.270 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCCC1 1771223625 XOYREHXYUFIOPL-HKUYNNGSSA-N 420.558 1.995 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)N3CCCC3)n2CCCOC[C@@H]2CCOC2)C1 1771527775 FHXOHMRYYQEOJF-OXJNMPFZSA-N 420.489 1.399 30 10 HDEE C=CCC1(S(=O)(=O)N2CC[C@@]3(C2)NC(=O)N(Cc2ccc(F)cc2)C3=O)CC1 1848520921 MFIWJJOYFYUYCT-IBGZPJMESA-N 407.467 1.761 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@@H]1CCN(C)C1=O 1850863796 UUQDKOLURFWTID-UKRRQHHQSA-N 405.882 1.947 30 10 HDEE COc1ccc(S(=O)(=O)C2CCN(C[C@H]3CC(=O)N(C(=O)CC#N)C3)CC2)cc1 1854021969 BFCDXSPUHCQHPT-OAHLLOKOSA-N 419.503 1.222 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCc4ccccc4C3)C(=O)C2)cc1 1854023867 IXDRDJNMIXBFKT-IBGZPJMESA-N 423.494 1.723 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cc(C3CC3)n(C)n2)C1=O 1854223909 HDTGCHMARYTZCF-MSOLQXFVSA-N 413.522 1.538 30 10 HDEE C=C(C)CN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2CCC)C(=O)C1 1854467488 BZOCQAVKEYKNOY-UHFFFAOYSA-N 407.474 1.920 30 10 HDEE COc1ccc([C@@H]2CN([C@@H]3CCN(C(=O)c4ccnc(C#N)c4)C3=O)CCO2)cc1 1854717797 NOENTLJNNAVECT-UXHICEINSA-N 406.442 1.776 30 10 HDEE CN(C)C(=O)C1CCN(C[C@@H]2CCC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1855329044 JQWOVIMHJSHSKE-IBGZPJMESA-N 410.518 1.666 30 10 HDEE C=CCN(CC=C)[C@H]1CCCCN(C(=O)CCn2nnc3ccccc3c2=O)C1=O 1856036523 GLBHPNZKGABUDZ-IBGZPJMESA-N 409.490 1.763 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C(=O)[C@H]1C 1856261473 LXFNJGGDVNRZLI-HZPDHXFCSA-N 405.520 1.774 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN(C)CCc3ccc(F)cc3F)CC2=O)CC1=O 1856597118 OSNGCMBYDBOYDT-WBVHZDCISA-N 419.472 1.849 30 10 HDEE C=CCCN1CCN(C(=O)CCS(=O)(=O)c2ccc(OC)cc2)C(=O)C1(C)C 1857084250 DLNLOSYSLNIGMM-UHFFFAOYSA-N 408.520 1.885 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2ccc3ccccc3n2)C1)[C@@H]1CCN(C)C1=O 1857236717 LFWLNGRHOIWTDL-OXQOHEQNSA-N 406.486 1.942 30 10 HDEE C=C(C)CN1CCC([C@H]2CC(=O)N(C(=O)c3cnc4sc(C)nn4c3=O)C2)CC1 1857238883 HZMDNODJXBWYNC-HNNXBMFYSA-N 415.519 1.736 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cn(C[C@H]3CCCO3)cn2)CCN1Cc1ccc(C#N)s1 1857502250 WAIBFDGERCSONW-HUUCEWRRSA-N 413.503 1.868 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CCN(S(=O)(=O)c3ccc4nc(O)[nH]c4c3)C2)cc1 1858419835 QFRVMGMUBISLSR-CYBMUJFWSA-N 411.443 1.789 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccnc(Cl)c2)cc1 1858965328 PYPKIYRGVIATJG-UHFFFAOYSA-N 407.835 1.713 30 10 HDEE N#Cc1cccc(NC2=C(c3ccccc3[N+](=O)[O-])C(=O)N(CCCNC=O)C2=O)c1 1863239679 JOOCKUKLFLMBIA-UHFFFAOYSA-N 419.397 1.795 30 10 HDEE C=CCOc1ccccc1[C@@H]1C(C(=O)N2CC(O)C2)=C(N)Oc2c1c(C)nn2CC 1865223795 DYKALLNOOWIJCN-SFHVURJKSA-N 410.474 1.674 30 10 HDEE N#Cc1cccc(NC(=O)CCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 1873867277 UGUAPGJBQZMIMQ-UHFFFAOYSA-N 412.471 1.992 30 10 HDEE O=C(NCC#CCN1CCOCC1)C1CCN(c2ccc(Br)cn2)CC1 1889036413 RVBOAEQVFMVYHJ-UHFFFAOYSA-N 421.339 1.512 30 10 HDEE CC(C)N1CCN(CC#CCOC2CCN(C(=O)C3CCN(C)CC3)CC2)CC1 1889228789 XINOMIDHLMEVPY-UHFFFAOYSA-N 404.599 1.365 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)NCc2nc(N3CCCC3)nc(N3CCOCC3)n2)c1 1889975105 XIHODHMTOUPPPB-INIZCTEOSA-N 421.505 1.865 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccc([N+](=O)[O-])cn3)CC2)CC1 1890049617 PWLZMEIFFNHKET-UHFFFAOYSA-N 415.494 1.252 30 10 HDEE CCS(=O)(=O)CCNC(=O)[C@@H]1SCC(=O)N(C(C)C)[C@@H]1c1ccc(C#N)cc1 1890710336 LFLPCMMASIERGY-QZTJIDSGSA-N 423.560 1.503 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)C(=O)N1CC[C@@H]2C[C@]2(B2OC(C)(C)C(C)(C)O2)C1 1896954850 KDKQVNVNXUFBGB-CKNLXJGOSA-N 410.320 1.957 30 10 HDEE C=C(Br)CS(=O)(=O)N(C1COC1)C1CN(C(=O)OC(C)(C)C)C1 1982281331 JFKVPINTAMHAFO-UHFFFAOYSA-N 411.318 1.545 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@H](O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985179293 OHBXNQIQWASCKG-QZTJIDSGSA-N 416.522 1.887 30 10 HDEE C[C@@H](C#N)OCCS(=O)(=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074666537 BYJGBFCLYYDPCE-DZGCQCFKSA-N 412.464 1.488 30 10 HDEE Cc1csc(CN(C)C(=O)[C@H](C)S(C)(=O)=O)c1B1OC(C)(C)C(C)(C)O1 2157045943 QINHARJMYVLTLZ-LBPRGKRZSA-N 401.359 1.747 30 10 HDEE Cc1cc(C#CCN)sc1CNS(=O)(=O)N1CC(OCc2ccccc2)C1 2161952360 WDRCPNGJFXNTOJ-UHFFFAOYSA-N 405.545 1.602 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CNCCN2Cc2ccccc2)c(Cl)c1 2205553837 CSYXIGSVKRFBJQ-QGZVFWFLSA-N 404.923 1.964 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]1NC(=O)c1ncccc1B1OC(C)(C)C(C)(C)O1 2243401262 OOROWQFYQVFZDV-ZIAGYGMSSA-N 403.288 1.776 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@](C)(CO)C1 2243429319 ATOPRSLMDPMOMR-FQEVSTJZSA-N 408.304 1.452 30 10 HDEE CC(C)(C)OC(=O)N1CC(OCC(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2244548474 QAMBVDCNQKBPJP-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247778563 DMMNIXCRJBPLNZ-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@H]2C[C@H]2NC(=O)OC(C)(C)C)n1 2247836391 BIYDWJBLCJYLFR-TZMCWYRMSA-N 420.319 1.362 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)n1 2247845158 NBZBDWKYHPWYLH-LBPRGKRZSA-N 422.291 1.000 30 10 HDEE CC(C)(C)OC(=O)N[C@@](C)(CO)CNC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2247925722 GTRXUOTVQNWYHW-HXUWFJFHSA-N 424.303 1.584 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)o2)C1 2247926742 WOVZFCQNMYOXFK-CHWSQXEVSA-N 422.287 1.289 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248414482 KSKYJSPCLWNBPU-UHFFFAOYSA-N 421.303 1.861 30 10 HDEE CN(Cc1cccc(I)c1)S(=O)(=O)N1CC[C@@H](C#N)C1 2280332068 YXPPFFYMAIQMTA-LBPRGKRZSA-N 405.261 1.813 30 10 HDEE C=CCCC1(C(=O)N2CCC[C@H]2CS(N)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2281015334 VHCOAYDCKPIWDM-AWEZNQCLSA-N 401.529 1.469 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H]1CC[C@@H](N)C1 2282326451 SKUGRMBBYXZCAY-CHWSQXEVSA-N 400.375 1.761 30 10 HDEE CCOC(=O)CCN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282342784 MHKDMWMMPPMPMW-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE C[C@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H]1CO 2282502860 QPKWQMOQWKBCJQ-GXTWGEPZSA-N 401.359 1.580 30 10 HDEE CNC(=O)CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504395 ODUGNHMIHGOCDB-UHFFFAOYSA-N 402.709 1.054 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@H]2CC[C@@H](CO)C2)OC1(C)C 2282504785 UOQIVVKEWFOPBR-NEPJUHHUSA-N 402.347 1.023 30 10 HDEE CC(C)[C@H](N)CCNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282507333 GEMHNYZQYCOYOG-GFCCVEGCSA-N 403.379 1.235 30 10 HDEE CC(C)[C@@H](O)[C@H](C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282509706 NWBLONVCCYBIAA-WCQYABFASA-N 404.363 1.267 30 10 HDEE CSCCCN(C)S(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282510828 FCIRIPXRZSFCRZ-UHFFFAOYSA-N 403.379 1.401 30 10 HDEE CCCC1(O)CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282831759 DPSIUDYYOVNDKP-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N(C)[C@H]2C[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282841469 UYJJBPBWFSXUSS-BETUJISGSA-N 401.359 1.808 30 10 HDEE C[C@H](CN1CCCC1)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282852349 NZKQYXHTHUGARG-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE CC1(C)CC[C@H](CO)N1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282857649 KXVPGMDYABNADP-GFCCVEGCSA-N 401.359 1.971 30 10 HDEE CCS(=O)(=O)CCNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282879396 TTWLOKGOUBXDQZ-UHFFFAOYSA-N 401.721 1.804 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CC[C@H]2C(=O)O)OC1(C)C 2284400878 CKHSJRCDTGGZDI-VXGBXAGGSA-N 401.315 1.330 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H](F)C(=O)O 2284410038 QLMIJEFZYWGQMN-CABZTGNLSA-N 407.294 1.384 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H](C)[C@H](C)C(=O)O 2284413314 JGVYZYZYJOBXGY-UWVGGRQHSA-N 403.331 1.743 30 10 HDEE C#CC1(N(C)C)CCN(S(=O)(=O)CCCN2C(=O)c3ccccc3C2=O)CC1 2320882550 GNKAHPJWDLHWKM-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1N=Cc1cccnc1 2329035265 WZIXXZOAULLOKN-CQSZACIVSA-N 402.480 1.545 30 10 HDEE CC[C@@]1(C)[C@@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2361992816 UGQOZSUJRSTKAA-GUYCJALGSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@@H]2CCC[C@@H]2S(C)(=O)=O)OC1(C)C 2362507508 HRCUWWIOEGNWIK-NEPJUHHUSA-N 400.331 1.138 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@H]2OCCC[C@@H]21 2365203403 SRBHWVCAQHSAAO-NRTGNBEESA-N 400.541 1.603 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H]1C[C@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365207643 PVXYGZXRUFJWEX-DQQFRQOVSA-N 400.541 1.195 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CO[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365212366 PYLYCRHBWDPMPE-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CCOCCN1C(=O)OC(C)(C)C 2367801202 PUKQMIIAUKVOHP-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)NC1(C[C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOCC1 2367802439 AZCIHPHMHGSFOF-OAHLLOKOSA-N 400.541 1.748 30 10 HDEE C=CC1(N[C@@]2(C(=O)O)C[C@H](C)S(=O)(=O)[C@H](C)C2)CN(C(=O)OC(C)(C)C)C1 2380748355 DEXAXRZLFXXENN-IVWMJMPLSA-N 402.513 1.561 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@H](N)C#CC(C)(C)S(C)(=O)=O 2381030823 KFQBCOGJFOUWQI-CABCVRRESA-N 400.541 1.556 30 10 HDEE Cc1nn(C(C)C)c(C)c1/C=N/Nc1nnc(SCC(=O)NC2CCCC2)n1N 20911533 QESQQMPAOIAEOS-AWQFTUOYSA-N 419.559 1.983 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 46786004 UKCNUZFRTFAZNO-SFHVURJKSA-N 415.490 1.823 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NCC#CCOc2ccc3c(c2)OCO3)c1 90730985 KSBBQLKZZKABEY-UHFFFAOYSA-N 405.428 1.793 30 10 HDEE CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)NC)CC(=O)N2CC(=O)OC)cc1 100213222 SGMCIZFITNXGDU-MYXCPXAOSA-N 407.448 1.104 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H]1CCS(=O)(=O)C1 111048062 LPCGCZGYKUGSIM-AWEZNQCLSA-N 405.545 1.949 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CCC=C(CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 252670768 LQQVURUBFJKELJ-YQWIHJJDSA-N 422.474 1.605 30 10 HDEE N#Cc1c(F)cccc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 427630056 LAUWCRWOGIKDJA-UHFFFAOYSA-N 405.407 1.676 30 10 HDEE CC(C)Oc1cc(NC(=O)N(CCC#N)CCN2CCOCC2)ccc1C(N)=O 433714508 RUDRULHXTRUDBJ-UHFFFAOYSA-N 403.483 1.652 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)Nc3cc(C(F)(F)F)[nH]n3)C2=O)cc1 448515983 UCOQYYKNRQHALV-LLVKDONJSA-N 406.324 2.144 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Nc2ccn(CC(F)F)n2)CC1 483511420 CUCDKIFKFRQGAH-UHFFFAOYSA-N 424.433 1.558 30 10 HDEE C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)C1 488921219 SXHISKDYYFRDKS-IYBDPMFKSA-N 422.526 1.508 30 10 HDEE CSc1nc(O)c(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C#N 489237122 MCVHBJLMJUTPDQ-INIZCTEOSA-N 407.455 1.783 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)CCc2ccccc2[N+](=O)[O-])CC1 500819482 ACTIHZDHGUQNJE-UHFFFAOYSA-N 401.448 1.556 30 10 HDEE C=CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(=O)N2CCCC2)C1 508799577 ABMCIQOXAZSGND-INIZCTEOSA-N 409.494 1.950 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(=O)N(C)C)CC1 508801373 LKIAVHUSQJXSBL-UHFFFAOYSA-N 417.535 1.839 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCC[C@H](S(=O)(=O)N(C)C)C1 511144790 LBCRNKMBPFUVOA-QAPCUYQASA-N 410.515 1.817 30 10 HDEE C[C@@](C#N)(CCc1ccccc1)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 532687380 RWEZNKPCGYRJTR-FQEVSTJZSA-N 422.470 1.743 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)c3c(F)cccc3Cl)CC2)n1 544926103 JDECENNLUJIFRX-UHFFFAOYSA-N 401.829 1.824 30 10 HDEE C=CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(c2nccn(C)c2=O)CC1 548913965 GCFLJMMJIPDDIC-UHFFFAOYSA-N 421.461 1.280 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(c2ccccc2C#N)CC1 553979416 XROFHKPPBVCZKH-KRWDZBQOSA-N 405.524 1.204 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)C2 557138302 GVYVSNDTRWKLBR-FQEVSTJZSA-N 421.519 1.741 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 561602966 FQSGAUYKEQIWLX-UHFFFAOYSA-N 400.460 1.721 30 10 HDEE CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 571815487 LCTAPTWNXZDLCO-HNNXBMFYSA-N 407.492 1.417 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(Cc3ccc(F)cc3)n2)CC1 588839032 SMQDVTJZNWRTTL-UHFFFAOYSA-N 402.495 1.933 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CC2(C#N)CC2)CC1 590153852 LGWIGCXJKGXFKX-UHFFFAOYSA-N 409.464 1.210 30 10 HDEE CN1CCN([C@H]2CC[C@@H](NC(=O)c3ccc(-n4ncc(C#N)c4N)cc3)CC2)CC1 613078151 GTJJWAJVRPAMQR-KDURUIRLSA-N 407.522 1.615 30 10 HDEE CC(C)CNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727418698 VVPGHBOAIVXIEW-UHFFFAOYSA-N 418.478 1.639 30 10 HDEE COCCn1c(=C(C#N)C#N)sc(=Cc2ccccc2OCC(F)(F)F)c1=O 742143202 GHKSRFNAIVSWCF-UHFFFAOYSA-N 409.389 1.524 30 10 HDEE CNC(=O)Cn1ccc2ccc(NC(=O)C(=O)NCc3ccc(OC)c(C#N)c3)cc21 747496699 PJVBWHIIIIGNDD-UHFFFAOYSA-N 419.441 1.522 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)O[C@@H]1CCN(c2sccc2C#N)C1=O 751657356 QEKIBDIFAQICIX-SNVBAGLBSA-N 411.486 1.599 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2cc(C(N)=O)cn2C)n1 755690476 SACIOXSDZLRYKZ-UHFFFAOYSA-N 403.493 1.490 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCCc1ccccc1OC(F)(F)F 757205946 GNHBRBMBMSGAIE-FOCLMDBBSA-N 412.368 1.953 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)Cn2cc(C(N)=O)c3ccccc32)CCCCC1 760409568 QZLRIAMCOKOOCS-UHFFFAOYSA-N 402.476 1.660 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@H](C(=O)OC)c2cc(Cl)cc(Cl)c2)CC1 761032579 KXSOYVDTSQCLSR-HNNXBMFYSA-N 420.318 1.293 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 766365420 FDZNQABMOBOFFP-AWEZNQCLSA-N 409.464 1.308 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1 768334642 BIHPKQYTVDDBRV-AKDSAVJFSA-N 411.380 1.288 30 10 HDEE COCCc1nnc(-c2cccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)c2)o1 779189216 KEBHQJPLMCAAHR-UHFFFAOYSA-N 412.427 1.916 30 10 HDEE COc1ccc(CNC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)cc1C#N 779535661 DEPHXNHFNRQRGS-AUUYWEPGSA-N 417.487 1.219 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCCN(c3ccccc3)C2=O)n1 789014820 URNZQOUJNIETRQ-FQEVSTJZSA-N 409.490 1.870 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)n1 789142073 BRVHVRXKUHACDR-UHFFFAOYSA-N 405.499 1.541 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C(N)=O)c2ccc(Br)cc2)n1 789318219 ZDMKYVDNFVKULF-QGZVFWFLSA-N 405.296 1.954 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)NC(=O)Nc2ccccc2F)n1 789322713 PDJJWAGJEPIPHL-HNNXBMFYSA-N 401.442 1.841 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CCCN1C(=O)OC(C)(C)C 790655712 MMGLTRXTWYSBQH-IIBYNOLFSA-N 417.510 1.987 30 10 HDEE C=CC[C@@]1(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)CCCN1C(=O)OC(C)(C)C 790863395 RXELWTSQXRKXQP-IBGZPJMESA-N 404.471 1.106 30 10 HDEE Cc1c(NC(=S)NN=C2CCC(=O)NC2(C)C)c(=O)n(-c2ccccc2)n1C 792891802 WGQDEALWYOCFGX-UHFFFAOYSA-N 400.508 1.815 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Br)c(S(N)(=O)=O)c1 798149643 FPVCSVHWZXBYKI-FZMZJTMJSA-N 403.298 1.808 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)OC(=O)c1ccnc2c1nnn2C 801496724 DVCCIHBOMRILKV-ZDUSSCGKSA-N 408.418 1.864 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N(C)CC(C)(C)S(C)(=O)=O 802542800 JFQLSHRGJVKGHU-UHFFFAOYSA-N 421.523 1.635 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 803699114 RFYFAQIILHIIIX-INIZCTEOSA-N 407.513 1.470 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCc2cccnc2C#N)cc1 813163909 VJIKIZWQILTBIE-UHFFFAOYSA-N 402.432 1.276 30 10 HDEE COC(=O)N1CCC[C@H]([C@H](C)NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1 813720576 VITABQZJHRHSDZ-XIRDDKMYSA-N 401.467 1.983 30 10 HDEE Cc1c(C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cnn1CCC#N 1124445778 FINXXSANCWIVBS-UHFFFAOYSA-N 421.454 1.518 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)C(C)(C)NC(=O)C(C)(C)NC(C)=O)c1 1126252657 CNNQOBHTOKUIHO-INIZCTEOSA-N 402.495 1.793 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cc(-c2cccc(C#N)c2)no1 1132249278 JDCIEFGZRXJLLU-CQSZACIVSA-N 403.416 1.016 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2n[nH]c(-c3ccccn3)n2)s1 1136352405 XJCGBSUACYIDAY-UHFFFAOYSA-N 404.477 1.574 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCNc2cnccn2)C1 1136424443 ZKQUHHADVZRMKZ-UHFFFAOYSA-N 401.268 1.775 30 10 HDEE COCCCn1cc(C)c(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)n1 1141080366 MWADNWVLWLCAIF-CQSZACIVSA-N 405.480 1.405 30 10 HDEE COC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 1141570270 GMRAXIWTJUGIFE-CABCVRRESA-N 418.450 1.389 30 10 HDEE C#CCN(C(=O)[C@@H](C)NC(=O)c1cc2c(C)nn(C)c2s1)C1CCN(C)CC1 1156646594 JEVJJPYWBCQHJC-CQSZACIVSA-N 401.536 1.618 30 10 HDEE C[C@@]1(C#N)CN(C(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)CCO1 1157515684 OFFACKNSNONZDI-GOSISDBHSA-N 405.501 1.981 30 10 HDEE COc1ccc(CNS(C)(=O)=O)cc1NC(=O)COc1ccc(C#N)cc1OC 1158718679 IFFNNDBGKSPDNV-UHFFFAOYSA-N 419.459 1.642 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2ccc(CC#N)cc2)CC1 1163195693 ALXNUEXPCTXRAH-UHFFFAOYSA-N 415.519 1.810 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2CC(=O)c3ccccc3O2)c1 1171782132 HTRPXBSUKCRKAJ-HNNXBMFYSA-N 400.456 1.915 30 10 HDEE C#Cc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)cc1 1190061132 HWIBETCICZCWIU-UHFFFAOYSA-N 412.920 1.887 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cccc(C(=O)NCCOC)c1 1192214334 IANLEYPSUFXGIY-UHFFFAOYSA-N 410.492 1.028 30 10 HDEE CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCC(c3ccc(C#N)cn3)CC1)C2=O 1196418571 DVUYCVJYOKZRLM-UHFFFAOYSA-N 424.505 1.665 30 10 HDEE CS(=O)(=O)c1ccc(CNC(=O)CN2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1198220168 YRUUPFPUEUUCCE-FQEVSTJZSA-N 413.499 1.651 30 10 HDEE CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)Nc2ccnc(C#N)c2)CC1 1208085340 HTCPXRPQCUZPRR-UHFFFAOYSA-N 406.512 1.612 30 10 HDEE C=C1CCC(CNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 1213651614 KOLZILYNDTXTFS-UHFFFAOYSA-N 406.504 1.965 30 10 HDEE C=C[C@@H](COC)NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1220402320 FZNQRSFORLZBKV-AWEZNQCLSA-N 408.503 1.674 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCc3ccccc3CC(F)(F)F)C2)c(=O)nc1O 1234014238 GOOGJNGBLHJGPU-UHFFFAOYSA-N 407.352 1.692 30 10 HDEE N#Cc1ncn(CCNC(=O)N2CCCC[C@H]2c2ncc(Br)cn2)n1 1248553649 WZRLCRNDTZCQOG-LBPRGKRZSA-N 405.260 1.639 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNC(=O)N2CC[C@@](C)(C#N)C2)C1 1248620529 TXKRSALQQQRKOE-KSSFIOAISA-N 414.528 1.356 30 10 HDEE COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)NCC#CCO)c2)cc1 1254503449 SFAWIKCGNDLVJM-UHFFFAOYSA-N 403.460 1.291 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@@H](C)[C@@H](C)O2 1286360207 DKFGXJSSEYRSJW-SOUVJXGZSA-N 417.535 1.890 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1Cc1ccccc1CN1CCOCC1 1286369657 ADNLKYLXIRIESI-UHFFFAOYSA-N 403.490 1.685 30 10 HDEE C#CCN(c1nnc(C)n1CCCOc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1286384452 QWUJMFMWYJBDQY-QGZVFWFLSA-N 406.483 1.821 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCN(C)Cc1ccccc1 1286399090 YFSAWBKRYPJPEK-UHFFFAOYSA-N 404.518 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1CC(=O)NC(C)C 1286434458 KUZHVTKFRJFTRR-UHFFFAOYSA-N 409.490 1.853 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1C[C@H](C)O[C@H](C)C1 1286452669 QLNGKAKUNVTWQU-YRPNKDGESA-N 419.570 1.961 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCCCC2=O)C1 1286809778 LCYQQOVNUKZZJO-ZWKOTPCHSA-N 403.527 1.966 30 10 HDEE CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1294280220 IUNHIMWRQJSFKU-ZDUSSCGKSA-N 416.507 1.515 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H]2CN2CCOCC2)CC1 1298869582 PCZQLZVTWVEKDZ-IBGZPJMESA-N 405.539 1.960 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1C[C@@H](CO)Cc2cccc(F)c21 1300169154 ZYSHQVZPLXNQIU-LBPRGKRZSA-N 403.435 1.062 30 10 HDEE C#CCN(C)c1nnc(Cc2c(F)cccc2F)n1CCN1CCN(C(C)=O)CC1 1300468946 RERSQVIEFSOZJQ-UHFFFAOYSA-N 416.476 1.381 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H]1COCCO1 1300479078 HZWFOGRRXYSAMY-OWCLPIDISA-N 405.499 1.534 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)COC(=O)N2 1300972811 QEOAEMKFHYESDQ-UHFFFAOYSA-N 406.487 1.088 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCN2CCC[C@@H]2CO)CC1 1301080993 YXPQLHNQZPWGHS-MSOLQXFVSA-N 402.543 1.623 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1301474553 AZEWUKSCRWQQJG-HOCLYGCPSA-N 413.544 1.096 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1 1301491026 KWAMUTNNQJXMNE-QFIPXVFZSA-N 421.505 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(CC)cc2)nnc1N1CCS(=O)CC1 1301577118 KDJLPMYMOLGHPX-UHFFFAOYSA-N 422.576 1.677 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1301579489 SPOGVWRBAPFGJD-HYVNUMGLSA-N 420.539 1.141 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(C2CCOCC2)CC1 1301587433 ZTJNNOWOGARGKA-UHFFFAOYSA-N 409.556 1.057 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CC[C@@H]1COCCO1 1302271088 KONVSBRDLOAXFJ-KSZLIROESA-N 405.499 1.548 30 10 HDEE Cc1cccc(CN2CCO[C@@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)c1 1302563818 ZKTFYWWTJHCMRG-VEGAHXMMSA-N 412.490 1.229 30 10 HDEE Cc1noc(C)c1[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1304876408 FVCGHAONGKIRAN-CJNGLKHVSA-N 413.482 1.538 30 10 HDEE COc1ccc(C(=O)N2CCC[C@H]2C(=O)NCC#C[C@@H]2CCCCO2)c(OC)c1 1305001735 PAXCPZVYXOMYMQ-LPHOPBHVSA-N 400.475 1.997 30 10 HDEE C#CCN(CC(=O)NCCc1ccc(N2CCN(C)CC2)cc1)C(=O)OC(C)(C)C 1305971604 FFFDTMMQZANHBZ-UHFFFAOYSA-N 414.550 1.967 30 10 HDEE CS(=O)(=O)c1ccc([C@H]2CN(S(=O)(=O)c3ccc(C#N)s3)CCO2)cc1 1309712660 GVQAKGOSMAKKTM-OAHLLOKOSA-N 412.514 1.785 30 10 HDEE C=CCn1cc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nn1 1312898343 LVNKCZGPTCUIEG-LJQANCHMSA-N 424.553 1.603 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NCC2(C#N)CCCCC2)C1 1313027502 SRGSJTUWBLAQPF-MRXNPFEDSA-N 400.545 1.542 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnn(C)c2)CC1 1314495200 GFKKNMWOGVGWHC-UHFFFAOYSA-N 420.521 1.757 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1314683981 YVRQPVYTHJUAQA-MRXNPFEDSA-N 422.470 1.953 30 10 HDEE CN(CC1COC(C)(C)OC1)c1nnc(-c2ccc(C#N)cc2)n1CCn1cncn1 1314819712 SCDFEVGJRPLBBM-UHFFFAOYSA-N 422.493 1.944 30 10 HDEE COc1cccc(-c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCCS2(=O)=O)c1 1315548668 APWGJXWZVQHNCJ-HNNXBMFYSA-N 418.523 1.585 30 10 HDEE C#CCO[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1N1CCOCC1 1348067008 SFDNWOYETCOLII-INIZCTEOSA-N 423.535 1.531 30 10 HDEE C#CCCCCn1c(N2CC[C@H]3CCNC(=O)[C@H]3C2)nnc1[C@@]1(OCC)CCOC1 1358917787 AYDFGJCZBFRCSZ-KGVIQGDOSA-N 415.538 1.696 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1358921473 YNJOJADDTPKFPQ-INIZCTEOSA-N 404.515 1.410 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCN(CC)C2)CC1 1359044095 VJQZVVXCDXKJOT-QGZVFWFLSA-N 422.537 1.043 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359227127 UCUGLEPJZNPNTJ-MRXNPFEDSA-N 414.510 1.421 30 10 HDEE C=CCNC(=O)Cn1c(N2CCSC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1 1359305762 MEEMNQXDZDNPNU-FQEVSTJZSA-N 423.583 1.953 30 10 HDEE Cc1c(CN(C)c2nnc(C(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cnn1C 1360930267 IVADRFVULXAMEM-HTXNQAPBSA-N 412.498 1.606 30 10 HDEE CN1CC(=O)Nc2cc(C(=O)NC3CCC(Oc4ccc(C#N)cn4)CC3)cnc21 1435599555 JYUKMODCRBDLSR-UHFFFAOYSA-N 406.446 1.857 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)n1 1437555616 KXZQYHMSYNMEID-UHFFFAOYSA-N 420.516 1.834 30 10 HDEE C#CC1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1452178187 QLPXTXRSSIXIDK-IXDOHACOSA-N 410.536 1.528 30 10 HDEE C#CCCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 1454011689 QGCQYHSMACEUIE-UHFFFAOYSA-N 403.298 1.226 30 10 HDEE CN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)[C@@H]1CCC[C@@H]1C#N 1454653073 UKFVEWBDGGRQEJ-NVXWUHKLSA-N 400.504 1.998 30 10 HDEE N#Cc1cccc(NC(=O)CSc2ccccc2C(=O)N[C@@H]2C[C@H](O)[C@H](O)C2)c1 1455985572 IDBRJDGEJPEJCD-VBUUOAMHSA-N 411.483 1.903 30 10 HDEE CN(C)S(=O)(=O)C1(CNC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1462789016 KTZPPIHNCJOGAP-CYBMUJFWSA-N 402.517 1.114 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1464843007 HHCUZQSBRMYZKX-HNNXBMFYSA-N 406.487 1.609 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1468664274 ZCISEWBWIGFIDK-RTBURBONSA-N 412.538 1.727 30 10 HDEE C#CCCN(CCOC)C(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1C 1470090706 LOTFYHQPIQVIIO-UHFFFAOYSA-N 401.916 1.608 30 10 HDEE CC(C)(CNC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)CS(C)(=O)=O 1471303893 JDWLOKRORFVMBB-UHFFFAOYSA-N 420.535 1.989 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCC(CC(=O)N3CCN(CC)CC3)CC2)C1 1471338502 ZLRLMLWXLLYXBX-HXUWFJFHSA-N 403.571 1.060 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cl)cc(Br)c2)CC1 1471451205 PVBDUGVIMXMDLL-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE N#Cc1c(N2C[C@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)ccc([N+](=O)[O-])c1N 1472902347 LZVJXAIJFSKLLE-YMTOWFKASA-N 404.370 1.995 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCN(CC(F)(F)CO)CC1 1473597439 KZOXPBKKFVPTFX-MRXNPFEDSA-N 410.465 1.576 30 10 HDEE C=CCCCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1473862041 UWOQITVPMMHREZ-UHFFFAOYSA-N 424.523 1.716 30 10 HDEE C=CCC1(C(=O)NCCN2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)CCCC1 1493170056 DRUPZWJYPFDDLP-RMMWZPCPSA-N 401.551 1.807 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@H](C)CC#N)C1 1493804336 DWOQEJGZHPUIPR-ZACQAIPSSA-N 408.572 1.650 30 10 HDEE CCNC(=O)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)[C@H](C)CC#N)cc1 1502416103 GYDARYVTTJNXSG-MRXNPFEDSA-N 423.521 1.937 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccnc3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1504899308 DGRMZUYQCOLRPV-MGPUTAFESA-N 413.457 1.277 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1507572869 ZOFUMWDRCAYVHM-UHFFFAOYSA-N 414.470 1.776 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CC(C)(C)N1CCC(OC)CC1 1507605420 SSYPRVAHBNUREF-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1507621958 DDTFGCPLJHYKMM-IBGZPJMESA-N 419.595 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1nc(C(F)(F)F)cs1 1507652890 LWYSPAZCBOVYLM-LLVKDONJSA-N 408.409 1.826 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCN(CC(C)C)C1 1507679878 SMBXZWGNCHTMTG-ROUUACIJSA-N 424.615 1.716 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@](C)(O)CCC(C)C)CC1 1507723758 TVQSGHMZHXZEJK-DYESRHJHSA-N 402.543 1.172 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(NS(C)(=O)=O)CC1 1507750303 PYSBKSXAYRVYND-UHFFFAOYSA-N 408.553 1.158 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(S(N)(=O)=O)cc1 1507830196 XDWSAFDEJRFUJP-CJNGLKHVSA-N 418.523 1.650 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 1515585444 XEXDDTGOEGWIFQ-FQEVSTJZSA-N 400.523 1.803 30 10 HDEE CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1516968620 YOLDOQWUQAUXHJ-SQNIBIBYSA-N 421.505 1.451 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(C#N)o2)C1 1517480251 AOTYMJMQYGHBSO-OAQYLSRUSA-N 422.493 1.615 30 10 HDEE COCCCN(C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(C)(C#N)CC1 1519057206 ZELCKODTHDJONB-UHFFFAOYSA-N 400.531 1.777 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(N(C)C(=O)OC(C)(C)C)nc2)C1=O 1526509277 KKYQSQWKUNTDQM-UHFFFAOYSA-N 417.422 1.368 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1[nH]nc(N2CCOCC2)c1C#N 1532112935 HYECKLVCKJUKKL-UHFFFAOYSA-N 415.251 1.933 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 1539215944 LTFUQGIEYDYXSI-HKUYNNGSSA-N 419.595 1.903 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC(C)(C)CC=C)[C@H]1CCS(=O)(=O)C1 1539220542 KMGYMQFSFIJTBE-JKSUJKDBSA-N 419.551 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CC1(C(N)=O)CCCC1 1539251776 PKOIMBXSKGIFKQ-UHFFFAOYSA-N 405.458 1.792 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1539369572 MQXMJXAZWLYTCJ-LBPRGKRZSA-N 410.450 1.416 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1ccccc1F 1539377921 XJOMURILWUJWKS-UHFFFAOYSA-N 412.469 1.429 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCC2(O)CCC2)CC1 1539477133 IPLPELYSGJCUEP-UHFFFAOYSA-N 409.494 1.006 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1539974802 VMQRHFYEAPYMDT-FQEVSTJZSA-N 421.567 1.772 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CCN1CCOCC1 1539999919 UOIWIOURRFPOQQ-UHFFFAOYSA-N 402.499 1.740 30 10 HDEE C=C[C@H](O)C(=O)NCCN1C(=O)S/C(=C/c2ccc(OCC)c(OC)c2)C1=O 1540635998 LXFDJOGUYBIMOT-XDUBLRSXSA-N 406.460 1.793 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCOCC2(CCC2)C1 1540901918 UTCAOPYXUZHWDX-UHFFFAOYSA-N 418.523 1.343 30 10 HDEE Cc1ccccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NCc1ccco1 1542725556 XDBHANOYHHWSQL-QGZVFWFLSA-N 406.446 1.892 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CCCCN2CCOCC2)n1 1543006402 LZLICVSDHRRMKJ-SFHVURJKSA-N 414.558 1.991 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1 1543462559 NGHNLSPLHLRAGH-HNNXBMFYSA-N 413.927 1.680 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1Cc1cccnc1OC 1546579145 GGHJVLFAEQJLLL-SFHVURJKSA-N 417.473 1.983 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1547312732 CNZMSUVMRFFACV-UFRUDQCGSA-N 408.506 1.892 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)Cc2ccon2)C1=O 1554355128 ONOCSGLHWZOEEH-OAQYLSRUSA-N 421.461 1.831 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCSC2)CCO1 1555994034 FECZVRHDGRCLDQ-BEFAXECRSA-N 403.483 1.605 30 10 HDEE C[C@H](O)CN1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)[C@@H](C)C1 1556310483 ZARBCVFGBMLISI-JTJPCEKRSA-N 420.554 1.687 30 10 HDEE Cc1ccc(C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1S(=O)(=O)NCC#N 1556688199 LJARYAKSMRREAG-INIZCTEOSA-N 401.492 1.754 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC(N2CCCC2)C1 1557447876 UKBZYODXDKBVDM-QGZVFWFLSA-N 404.536 1.591 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@H]1N(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C2 1558066854 YNWHFQQHDITLME-JJOAJVDHSA-N 418.494 1.807 30 10 HDEE Cc1ccc(C(=O)N2CCOC[C@H]2CC2CCOCC2)cc1S(=O)(=O)NCC#N 1558696511 KIDBZBGLCGKBKD-GOSISDBHSA-N 421.519 1.455 30 10 HDEE C#CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1564067476 JSXLPYWOMRJHNI-HXUWFJFHSA-N 400.523 1.294 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)NCCN3C[C@@H]4CCCCN4C3=O)C2)nc1 1565120722 VGRYXOOHBIFMFA-MSOLQXFVSA-N 411.510 1.829 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1569695943 DPBWBRNQYWIWBZ-VQTJNVASSA-N 412.515 1.904 30 10 HDEE Cn1cc(C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)c(I)n1 1583983945 BQHIDHDUXCDEJL-NSHDSACASA-N 423.214 1.585 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)c1OC 1585387178 FGNXIMSNVAWADT-ZDUSSCGKSA-N 409.851 1.999 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1 1585857368 GOQISCQLQZGYIE-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1587683124 BXXHBFOLFMFDOM-SZMVWBNQSA-N 419.526 1.938 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2N2CCC(O)CC2)cc1 1588018488 WPDGXMYHAWOZPD-UXHICEINSA-N 419.547 1.872 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCC[C@@H]1OC)[C@H]1CCS(=O)(=O)C1 1588054466 NQLWPEVMTDQTQB-MHORFTMASA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1COCCO1 1588128968 WDHWZEDNRCADQH-HNNXBMFYSA-N 404.430 1.082 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1cc(COC(C)(C)C)on1 1588159371 UURUNKHRKRBEPR-UHFFFAOYSA-N 424.505 1.825 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CC12CCOCC2 1588645926 FGKPLSHQFZUHCQ-IRXDYDNUSA-N 422.551 1.083 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2nnc(CC)s2)CC1 1588913648 OYVAIQDKANXYSP-UHFFFAOYSA-N 424.534 1.701 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1589427268 FZGVCKKHEKWWSV-KRWDZBQOSA-N 405.300 1.874 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1594948110 BELVEFJCOCSEDA-QZTJIDSGSA-N 404.559 1.988 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCCN2CCOC2=O)C1 1595706254 JLCWKMICVZVNSS-INIZCTEOSA-N 400.483 1.907 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](CCC)C1 1595788979 MGSZSIKCAHSQCY-MRXNPFEDSA-N 408.528 1.285 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1595797761 IILUHFKWZJDUCC-OLZOCXBDSA-N 424.445 1.150 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1596696153 SCGHUJUBLTUXLJ-UXHICEINSA-N 424.505 1.727 30 10 HDEE CC(C)CN(C)c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1607295194 KJXNYYZEKKZZIY-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE COc1ccc(CCN2C[C@@H](C(=O)NCc3nc(C#N)cs3)CC2=O)cc1OC 1611464924 WFQSUTASAMFLAZ-AWEZNQCLSA-N 414.487 1.739 30 10 HDEE Cc1nnc(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)n1C 1616765606 VMTFHJKZCUAWLR-CHWWFWEZSA-N 402.499 1.569 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCN(Cc2ccnn2C)CC1 1620676556 ZFMXOCZFLIUMJF-SFHVURJKSA-N 410.522 1.882 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](NS(=O)(=O)N(C)C)C2CCCC2)ccc1C#N 1622144349 GNAIEJFPPNVZJR-KRWDZBQOSA-N 414.553 1.100 30 10 HDEE C#C[C@@H]1COCCN1S(=O)(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 1622226972 JASBZTYUVVPUQA-MRXNPFEDSA-N 412.533 1.192 30 10 HDEE C#Cc1ccc(S(=O)(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1622652016 VZSZOKDUZAXHDT-CQSZACIVSA-N 406.261 1.667 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 1625165487 OEDJRSFADJBEGJ-HNNXBMFYSA-N 416.455 1.373 30 10 HDEE CN(C[C@@H](O)CNC(=O)OC(C)(C)C)C(=O)[C@H]1CCCN1c1ccc(C#N)cc1 1627895200 FBAOJQHNXLKWBV-ZWKOTPCHSA-N 402.495 1.871 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2nnc(S)n2C(C)C)s1 1627934849 SGCBSNSQZIPKJJ-UHFFFAOYSA-N 415.566 1.532 30 10 HDEE Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)cn1 1629625167 WXDGEQFPTYEKAL-AEFFLSMTSA-N 401.492 1.098 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 1631390972 NJGYEPHPUQUDHD-WHOFXGATSA-N 419.425 1.841 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)Nc2ccc(O)c(S(N)(=O)=O)c2)CC1 1633103446 GSVYWXBKEGKOLY-UHFFFAOYSA-N 423.491 1.629 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2(c3ccccc3)CCN(S(=O)(=O)CC)CC2)C1 1634554997 NNPUMLNEIUTBGO-FQEVSTJZSA-N 417.575 1.584 30 10 HDEE Cc1ccc(C(=O)N2CC(CN3CCOCC3)C2)cc1B1OC(C)(C)C(C)(C)O1 1636427393 XJXQGGDCKQOZAV-UHFFFAOYSA-N 400.328 1.698 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCC2(OCCOC)CCOCC2)c1 1636937182 QOFCXHPIZJLCTG-UHFFFAOYSA-N 409.504 1.426 30 10 HDEE CN(C(=O)CCN/C(O)=C1/N=CC=CC1=O)C1(CNC(=O)OC(C)(C)C)CCC1 1637201885 BHLKPAJFKSBWRK-MSUUIHNZSA-N 406.483 1.809 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@@H](C)[C@H](C(N)=O)CC[C@H]3C)ccc2c1=O 1639209788 QQFOYPJUVYQKJU-MBNYWOFBSA-N 400.504 1.986 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CC2(O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1640588701 OEAUTVDEKJWYJF-UHFFFAOYSA-N 409.483 1.444 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)c1C#N 1641124938 YAKJKCVEZDLBOK-HNNXBMFYSA-N 407.519 1.217 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 1642106091 WMVQKRGBEZQYKI-MRXNPFEDSA-N 408.418 1.806 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(Br)cn2)c1 1643825652 YFKKFVQJHGKMRX-UHFFFAOYSA-N 408.277 1.686 30 10 HDEE CN(C)CCCN(C)CCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1645219581 VHBBGRHEUHYSCN-WUZYXKQASA-N 421.586 1.773 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(F)c1Br 1651401558 QKJYLDGZGCRAFK-UHFFFAOYSA-N 423.242 1.257 30 10 HDEE CCc1nc(C#N)cc(NCC[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)n1 1652214900 RZGZGMVFLALQNW-CQSZACIVSA-N 409.512 1.747 30 10 HDEE C=CCn1cc(CNS(=O)(=O)[C@H]2CCCN(C(=O)OCc3ccccc3)C2)nn1 1662632006 XNIQMEKMYWVLHH-SFHVURJKSA-N 419.507 1.685 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCO)(NS(=O)(=O)c2ccc(C#N)cc2Cl)C1 1663933668 HQOIZISFFZHWLE-UHFFFAOYSA-N 415.899 1.862 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 1677071123 GZPSEOXCNKVNBI-UHFFFAOYSA-N 420.535 1.699 30 10 HDEE C[C@@H](Cc1cnn(C)c1)NC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1682575764 FYSVKLVKLYDCMH-HNNXBMFYSA-N 406.494 1.923 30 10 HDEE N#C[C@@H]1CN(C(=O)N[C@@H]2CCN(c3cc(O)ncn3)C2)CCN1Cc1ccccc1 1685645689 WOWVRTZMGWXFRW-QZTJIDSGSA-N 407.478 1.180 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccc2OC)n1CCS(=O)(=O)CC1CC1 1689969417 SOXOEQYKLUVTES-UHFFFAOYSA-N 402.520 1.772 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCCOC2)CC1 1690113993 ZSCBVTHOVMVRSS-UGKGYDQZSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc(C3CCCC3)n2C[C@@H](C)CN2CCOCC2)CC1 1690122693 ZUZWRQFGLGQFEF-IBGZPJMESA-N 400.571 1.659 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OC)n2CC2(C)COC2)CC1 1690133805 UXXLZFWMAQAULT-UHFFFAOYSA-N 411.506 1.657 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1690174329 BLSMXRVJDCSOHQ-RBUKOAKNSA-N 418.611 1.365 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690291560 CRWLUBCKKSGCKU-ZDUSSCGKSA-N 410.569 1.680 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1690508542 KVQLFUCLZDRWMR-KURKYZTESA-N 403.527 1.727 30 10 HDEE C=CCn1c(N2CCN(CC(=O)N[C@H](C)CC)CC2)nnc1[C@]1(OCC)CCOC1 1690653066 AQSYUFRWPZZKHE-UTKZUKDTSA-N 420.558 1.153 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690659501 VGINPGLAWGOYOE-MRXNPFEDSA-N 408.510 1.687 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC2(CCC2)C[C@H]1CC 1690671410 VLWMCAJJSFVMGV-HZPDHXFCSA-N 421.567 1.641 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nnc2n1CCCCC2 1691001180 DRMXSKQJHDMOKX-HUUCEWRRSA-N 411.514 1.386 30 10 HDEE CC(C)(O)Cn1c(-c2cnccn2)nnc1N1CCN(c2ncccc2C#N)CC1 1691367949 KMAPFAWBIOSFMV-UHFFFAOYSA-N 405.466 1.099 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(OC)CCOC1 1698245931 MMLHFWQHJUAZIZ-LNMJFAINSA-N 409.462 1.250 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705538207 GCWGIGVHRDDBFT-QGZVFWFLSA-N 410.482 1.822 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705553550 ZCFBAMMHGPHNSB-ZWKOTPCHSA-N 402.543 1.532 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1705559471 BCNNOPZOHAIXMB-CABCVRRESA-N 401.492 1.931 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1705560499 LBQUHDIZCDGFCM-STQMWFEESA-N 424.445 1.191 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1CC 1705587609 BPIDPTIPYCAAKN-UWJYYQICSA-N 424.549 1.982 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(C)=O)c1 1705596479 FYILOVCOFHKUQN-LJQANCHMSA-N 404.474 1.699 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2CCCC[C@@H]2C)CC1 1705639745 VPUVMZGPQGXJOV-VQTJNVASSA-N 400.571 1.802 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCO2)n1CCCN(CC)S(C)(=O)=O 1705678897 SZMDCYQDUHLBFZ-VQIMIIECSA-N 409.556 1.793 30 10 HDEE C=CCN(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1705845394 QNYYMONFHYQESV-HXUWFJFHSA-N 420.535 1.244 30 10 HDEE C=CCn1c(COc2ccc(F)cc2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705892782 HDRSUCHTHDXVOO-INIZCTEOSA-N 409.487 1.700 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1705906539 ILDOPNCZQBMSCX-GOSISDBHSA-N 424.505 1.892 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Br)s2)n1Cc1nnn(C)n1 1706069633 AZTRYEOLPSENRP-SECBINFHSA-N 422.316 1.937 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1 1706750934 BZJOJNOVHWEJBN-MRXNPFEDSA-N 403.531 1.250 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1706751745 TWJSYVMEOMNEOF-BFUOFWGJSA-N 415.523 1.486 30 10 HDEE CC[C@@]1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CCO1 1708855759 CWUMMGQPMOYWCZ-IBGZPJMESA-N 418.523 1.371 30 10 HDEE CCCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1709847854 SBHBIFZSHWWGHG-UHFFFAOYSA-N 424.553 1.986 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1722327202 CITCRSVFKUWMQJ-UHFFFAOYSA-N 412.519 1.702 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1CCc1ccccn1)[C@@H]1CCS(=O)(=O)C1 1722361676 OFRMOXTXLZRSGG-GOSISDBHSA-N 422.514 1.605 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)C)n2CC2(O)CCOCC2)n1 1722428528 XEHCNNXNABGSJC-UHFFFAOYSA-N 416.526 1.426 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCO2 1722631093 COUDTEBITXXEDH-CQSZACIVSA-N 405.524 1.884 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C)n(C)c1=O 1722673770 CYXBZEFKOJGKBU-UHFFFAOYSA-N 402.499 1.111 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccsc2)nnc1N1CC(=O)N(C)C[C@H]1C 1722730519 VISIKRXCGTXOIB-CQSZACIVSA-N 423.564 1.198 30 10 HDEE CCO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1728947552 QUHPMMJBSUDIRL-DZGCQCFKSA-N 422.511 1.407 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2Cc2cn(C3COC3)nn2)c1 1740564142 BYPMLJMAXAEJHW-UHFFFAOYSA-N 420.477 1.108 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1740565136 KFMKRGROVIZWTQ-GOSISDBHSA-N 412.538 1.909 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CCC(C)C)[C@H]1CCS(=O)(=O)C1 1740615891 NFVAAZVLCFCEGC-KRWDZBQOSA-N 423.583 1.869 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(F)c1)[C@H]1CCS(=O)(=O)C1 1740616752 GKXXGMQAQQXHQO-INIZCTEOSA-N 406.483 1.604 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)cc2)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1740620364 PDTHPFGWQWNOKH-INIZCTEOSA-N 420.922 1.750 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCOc1ccccc1 1740639340 AHDQGPXRQLLSRB-GOSISDBHSA-N 412.515 1.722 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1CC(=O)NCC=C 1740650706 KIYJXEDAXNPRJY-UHFFFAOYSA-N 407.474 1.727 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(O)(CC)CC)CC1 1740692742 MFLCMAPUKSHWIV-UHFFFAOYSA-N 411.506 1.980 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(=C)C)CC1 1740703246 KWHBSASUXXRNKH-QFIPXVFZSA-N 415.538 1.861 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC(C)(C)C)C1CC1 1740911242 YFHMGSLUPJJBSQ-AWEZNQCLSA-N 409.556 1.640 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1740940140 VIFXRUPMELOTKM-MRXNPFEDSA-N 422.555 1.204 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N(C)CC1CCOCC1 1740951684 LHXJAYKKCWTEMT-UHFFFAOYSA-N 413.482 1.090 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@](C)(CC)C1 1740994136 JGCNQRQVRVURHC-LJQANCHMSA-N 409.556 1.628 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](C)(C(N)=O)C1 1748077526 CQDGGQGCBHXQDX-NRFANRHFSA-N 409.494 1.291 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1748713679 DCQQCNBACUVETO-VFNWGFHPSA-N 414.510 1.400 30 10 HDEE C#CCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC[C@@H](OC)C1 1748736333 YNDHQQPZZSBWOS-QGZVFWFLSA-N 417.535 1.834 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1748906144 PUKOQWLWMQFSGS-SJORKVTESA-N 410.588 1.468 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2nnc3n2CCCCC3)CC1 1749000124 NUHOAUBSQIQTCZ-UHFFFAOYSA-N 412.542 1.130 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC=CO2)CC1 1749008566 CXBJAEVFPBQEKL-KRWDZBQOSA-N 407.478 1.394 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2(C)CC2)CC1 1749015978 VHOVJWCEEZSTTF-UHFFFAOYSA-N 409.538 1.906 30 10 HDEE C=C(Br)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1749096200 IAVGYLLKXBBJQD-AWEZNQCLSA-N 422.331 1.940 30 10 HDEE C=CCCOCCn1c(Cc2ccccn2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749459456 KLPVBLAIFTXXDH-KRWDZBQOSA-N 405.524 1.480 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)c2ccco2)CC1 1749658994 QQVVYTCNLMHKKR-UHFFFAOYSA-N 424.461 1.704 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1 1749663439 FJSAVWTVVNKYMC-GOSISDBHSA-N 423.525 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@@](C)(CC)C1 1749735499 VAMMFMMUVGCTOB-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2oncc2C1 1749756227 VDCWVMWLJBOSJP-ZDUSSCGKSA-N 409.537 1.650 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@@H](C)CC#N)n1CC1CCN(C(C)=O)CC1 1749921228 RHDRCUNQMLUMFO-HOTGVXAUSA-N 406.531 1.999 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1750387239 RYZSEHCGHGUOPL-UHHPSXQGSA-N 411.466 1.191 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCCCCCO)CCO1 1750388059 IWZRIXSXKFQYRJ-HNNXBMFYSA-N 418.523 1.551 30 10 HDEE CC1=CCCN(c2nnc(-c3cccn3C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1751712235 HBAQXAUNYHNPRI-ZZEZOPTASA-N 407.478 1.966 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC(N)=O 1760151987 BRYXBRJINKNRPG-CQSZACIVSA-N 417.539 1.352 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)NC 1760197818 LLWNVSGUBLGLGV-UHFFFAOYSA-N 400.280 1.917 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCOCC1 1760294459 XKEMDKKTQDLBJL-OXJNMPFZSA-N 400.527 1.332 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CC1 1760295130 NTWGCWYRXQRBOR-CHLCXMBXSA-N 410.565 1.083 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1760453994 RFDGKOOUXHOOEW-UHFFFAOYSA-N 424.509 1.944 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1760548700 NGNAGAJREUOPDE-RDTXWAMCSA-N 411.528 1.423 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]2CCCCCC[C@H]21 1760554125 SEELNKIHXQHYMB-IXDOHACOSA-N 421.567 1.989 30 10 HDEE C[C@@H](Oc1ccccc1F)c1nnc(N2CCO[C@H](C#N)C2)n1CCOCCCO 1761540040 MGHWBCRUOBRMAB-HZPDHXFCSA-N 419.457 1.685 30 10 HDEE CCOc1cc(Cn2c(-c3cnn(C)c3)nnc2N2CCO[C@@H](C#N)C2)ccc1OC 1767521026 CEYBAKXSVJPWNN-KRWDZBQOSA-N 423.477 1.863 30 10 HDEE Cn1cc(Nc2nnc(-c3ccc(C#N)cc3)n2CCOCCS(C)(=O)=O)cn1 1769020161 YEKYZHKNGGSNQL-UHFFFAOYSA-N 415.479 1.355 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(CC(N)=O)CC1 1770785549 BNUVJOMHGVACFK-QGZVFWFLSA-N 400.458 1.893 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)ON2C(=O)c3ccccc3C2=O)C1=O 1772791989 DWEZTRJYECJCLF-NRFANRHFSA-N 407.382 1.598 30 10 HDEE N#C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1849709419 VJBUKMRHLIAEJK-RISCZKNCSA-N 415.393 1.757 30 10 HDEE COc1ccccc1-n1nncc1CN1CCN(C(=O)c2ccc(C#N)nc2)CC1 1851200132 ZIFSGBZLRVMTQE-UHFFFAOYSA-N 403.446 1.501 30 10 HDEE Cn1nccc1[C@H]1C[C@H]1C(=O)N(CCN1CCOCC1)c1snc(Cl)c1C#N 1851635138 MKHHMIHZZBVKKU-QWHCGFSZSA-N 420.926 1.871 30 10 HDEE C#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2OCC)cn1 1852263653 GFEIAXTYUMNUPT-UHFFFAOYSA-N 415.471 1.735 30 10 HDEE CN(C)C=NC(=S)N(C(=O)C1CN(S(C)(=O)=O)C1)c1ccccc1Cl 1852559632 VYMBNPZXBCOWQZ-UHFFFAOYSA-N 402.929 1.439 30 10 HDEE O=C(N=C1NS(=O)(=O)c2ccccc21)[C@@H]1CC(=O)N(Cc2cccc(F)c2)C1 1853304205 XZQOLDPQMDJJLL-CYBMUJFWSA-N 401.419 1.440 30 10 HDEE COc1coc(CN2CCN(C(=O)CCc3ccc(C#N)cc3)C(=O)[C@H]2C)cc1=O 1853892327 XRPLRCWHDMXYSV-OAHLLOKOSA-N 409.442 1.712 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CC3CCOCC3)C3(CCCCC3)C2=O)CC1=O 1854096674 FBFZBKYPPSEQEI-LJQANCHMSA-N 417.550 1.821 30 10 HDEE CC(C)N([C@H]1CCS(=O)(=O)C1)[C@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O 1854109533 WBNDLAQPDVYIMM-ROUUACIJSA-N 418.519 1.372 30 10 HDEE Cc1cccc(CS(=O)(=O)N2CCN(C(=O)c3ccnc(C#N)c3)C(=O)[C@@H]2C)c1 1854141172 FPIMKKRIFOSCMJ-HNNXBMFYSA-N 412.471 1.465 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1=O 1854178793 GQJSPWVNAVLACD-RTBURBONSA-N 401.482 1.913 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCN(C(=O)[C@H]2CCC(F)(F)C2)C1=O 1854339355 TWCRFOOWTQQZBY-BBRMVZONSA-N 418.448 1.422 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)C(=O)C1 1854556442 GSIMLAWEVNXFTB-UHFFFAOYSA-N 404.275 1.450 30 10 HDEE C=C1CCCN([C@H]2CCN(C(=O)CN3C(=O)c4ccccc4S3(=O)=O)C2=O)CC1 1854738138 NMFHEMGYHVANGZ-INIZCTEOSA-N 417.487 1.001 30 10 HDEE Cc1nc([C@H]2CC(F)(F)CN2C[C@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)no1 1855977772 JVKWMQSQGAQVGY-IUODEOHRSA-N 416.388 1.716 30 10 HDEE COc1cccc2sc(N(C)CC(=O)N3CCN(CCC#N)[C@H](C)C3=O)nc12 1856193218 LAVAHVPLMAFKNU-CYBMUJFWSA-N 401.492 1.714 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2onc3c2CCCC3)C1=O 1856721818 KOYMWJWTHOUHEV-SJORKVTESA-N 400.479 1.403 30 10 HDEE CC(C)CC[C@H](F)C(=O)N1CC[C@@H](N2CCN(c3ncccc3C#N)CC2)C1=O 1857066301 JVSCFKPYUKXBML-ZWKOTPCHSA-N 401.486 1.977 30 10 HDEE COc1ccc(C(=O)N2CCN([C@H]3CCN(CCCC#N)C3)CC2=O)c(OC)c1 1857153278 HTHQYLBVDMPOFH-INIZCTEOSA-N 400.479 1.366 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3nc[nH]c3c2)cc1 1870143716 XYJDLHSGSGEYES-UHFFFAOYSA-N 422.430 1.639 30 10 HDEE C=CCn1cc(OCC(=O)N2CCCCCC2)c(=O)cc1CSc1nnnn1C 1870279209 ADSFFJAZRJENOP-UHFFFAOYSA-N 418.523 1.632 30 10 HDEE C=CCN(CC=C)c1nc(=NC[C@H](C)O)[nH]c(=Nc2ccc(CC)c([N+](=O)[O-])c2)[nH]1 1871622013 XDGZCZNPUIXSSD-AWEZNQCLSA-N 413.482 1.901 30 10 HDEE N#Cc1ccc(F)cc1CS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882498419 WWBRVHHZGOXKFU-QGZVFWFLSA-N 420.418 1.992 30 10 HDEE CCN1CCN(CC#CCOC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 1889577594 DHUDNLVKVXLQDX-UHFFFAOYSA-N 419.591 1.806 30 10 HDEE CN(C)CCN1C[C@H](C(=O)N2CCC(CN(C)c3ncccc3C#N)CC2)CC1=O 1889829471 GYSPODNPGOIZRO-LJQANCHMSA-N 412.538 1.038 30 10 HDEE COc1ccccc1OCC#CCNS(=O)(=O)c1cnc2c(c1)c(C)nn2C 1890015585 PQXAFHXKMMMNTN-UHFFFAOYSA-N 400.460 1.646 30 10 HDEE COc1ccc(NC(=O)c2c3c(nn2[C@H]2CCS(=O)(=O)C2)CCC3)cc1C#N 1890336267 NCUQTVVAVRKGTI-AWEZNQCLSA-N 400.460 1.864 30 10 HDEE COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](Oc2nccnc2C#N)C1 1892100975 APUQUSLSBGEVFP-CYBMUJFWSA-N 419.419 1.497 30 10 HDEE C=C(CNC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCN1C)B1OC(C)(C)C(C)(C)O1 1991968777 ZBQWXSLSZQRPML-OAHLLOKOSA-N 409.336 1.841 30 10 HDEE CN(C1CCN(c2nc(B3OC(C)(C)C(C)(C)O3)cs2)CC1)S(C)(=O)=O 2172781095 ZCCBQZPPSKUYCX-UHFFFAOYSA-N 401.363 1.303 30 10 HDEE COCCN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CC1 2174778433 XAEFOSRWQWNGLZ-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NS(=O)(=O)CC1(C#N)CCOCC1 2174778597 YWZXZCBKDGSSIJ-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](F)(CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174790190 ZTLPZYGEIAXVCL-RHSMWYFYSA-N 404.508 1.796 30 10 HDEE CC(C)(C)OC(=O)NCCc1nc(=NS(=O)(=O)c2cncc(C#N)c2)s[nH]1 2238243710 ADORGHDCNWPUDS-UHFFFAOYSA-N 410.481 1.095 30 10 HDEE C=C1CC(CNC(=O)OC(C)(C)C)(C(=O)N2C[C@H](S(N)(=O)=O)CC2(C)C)C1 2239524433 AXTSEPOJLKYUMD-CYBMUJFWSA-N 401.529 1.516 30 10 HDEE Cn1cc(C(=O)NCCNOCc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2243424008 JNWJAUOHZKFZHE-UHFFFAOYSA-N 400.288 1.171 30 10 HDEE CC(C)(C)OC(=O)NCC(CO)(CO)Nc1cc(Br)cc(C#N)c1 2247174419 WKHBMTXEKLCKAE-UHFFFAOYSA-N 400.273 1.981 30 10 HDEE CC(C)(C)OC(=O)N1CC(ONC(=O)c2ncccc2B2OC(C)(C)C(C)(C)O2)C1 2247927414 IHTBMVLDIFTRIA-UHFFFAOYSA-N 419.287 1.662 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2253350917 MFUNVZJKXIZQIW-BTYIYWSLSA-N 420.315 1.763 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1C[C@H]2C[C@H]1CN2Cc1ccccc1 2255805955 CIMKMDZSMNQGLZ-MSOLQXFVSA-N 422.338 1.818 30 10 HDEE N#Cc1cccnc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258168883 NUKCSZJOVJBJAC-CQSZACIVSA-N 404.404 1.075 30 10 HDEE C=C1CC(CN(C)S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258169098 GKEOBZWXYOWYIX-KRWDZBQOSA-N 410.492 1.682 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCC[C@H]3O)cc2Cl)OC1(C)C 2267354756 RGCRHZUYUXQMDI-WDEREUQCSA-N 407.750 1.892 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1N 2267709720 GZFIJMZSLHSPCW-KOLCDFICSA-N 406.766 1.668 30 10 HDEE CN1CC[C@@](O)(CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281968240 VPCVMPAPEUKWLQ-QGZVFWFLSA-N 400.737 1.497 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NC[C@@H](C)CC2(C)OCCO2)n1 2282003389 BDYLAIQKUNKNKB-AWEZNQCLSA-N 407.320 1.721 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@H]4C[C@@]4(CO)C3)cc2Cl)OC1(C)C 2282304129 GTGXUMPRHPLCRZ-HWPZZCPQSA-N 419.761 1.704 30 10 HDEE CCCN1CC[C@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282349738 CMGBORUZEHQJAP-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CCC[C@]2(C)CO)OC1(C)C 2282509569 MCOMCWBHKRVTMU-QGZVFWFLSA-N 401.359 1.724 30 10 HDEE CN([C@@]1(C)CCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282840897 QJRQEDVTHXUPHM-INIZCTEOSA-N 402.347 1.383 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2282856283 QDYVSZZGZDWNHT-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CC[C@H]1O 2282858974 GHWVHQICRUKVIF-NWDGAFQWSA-N 401.359 1.875 30 10 HDEE CCS(=O)(=O)C[C@H](C)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282867800 DQUPZLAKFQBSTM-NSHDSACASA-N 423.387 1.149 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@@H](C)[C@@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871868 MTXTVMDBJHLIGH-MFKMUULPSA-N 400.375 1.632 30 10 HDEE C[C@@H](CCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284395332 KFAJVVXQAZLEPU-NSHDSACASA-N 403.331 1.827 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)O[C@H]2C1 2289381875 GZLMHKVDDVUHED-RNJOBUHISA-N 402.513 1.679 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)C=Cc2ccco2)cc1 2318707750 RYEKLRLGGXFPPA-UHFFFAOYSA-N 402.428 1.700 30 10 HDEE O=C(CSc1nncn1N=Cc1ccc(O)c([N+](=O)[O-])c1)NCc1ccco1 2321271176 YMGPLCFCRSPFPT-UHFFFAOYSA-N 402.392 1.776 30 10 HDEE COc1ccc(OC)c(C=CC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1 2325715065 WILFENLCHJXFBG-UHFFFAOYSA-N 418.471 1.292 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CCCO2)n1N=Cc1cc(OC)c(O)c(OC)c1 2330971234 JWKOCTHZCQVUAK-LBPRGKRZSA-N 422.463 2.000 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336215929 WYXQFILICITEFP-GJZGRUSLSA-N 402.582 1.801 30 10 HDEE Cc1csc(C#C[C@H](O)[C@H]2CN(C(=O)OC(C)(C)C)CC(C)(C)S2(=O)=O)n1 2363678195 TWDZDDAJXAOSFD-UONOGXRCSA-N 414.549 1.977 30 10 HDEE C[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]1(C#CC1(S(C)(=O)=O)CC1)OCC(=O)O 2367794947 KBKKMDJLCIJURO-SCLBCKFNSA-N 401.481 1.436 30 10 HDEE CCc1nnc(NC(=O)CSc2n[nH]c(N/N=C/c3c(C)nn(C)c3C)n2)s1 59309937 GRDZQEOINAGNBS-OMCISZLKSA-N 420.528 1.746 30 10 HDEE C#CCN(CC(=O)Nc1cccc(C(=O)N(CC)CC)c1)[C@H]1CCS(=O)(=O)C1 111048198 SHHDBEUQDJMCTJ-SFHVURJKSA-N 405.520 1.229 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 111225284 VPVYLNVXMBCSAT-IAGOWNOFSA-N 424.592 1.841 30 10 HDEE C=CCC[C@@H](NC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccccc1 435112976 FUMFPUDEHHAXFF-HXUWFJFHSA-N 400.523 1.880 30 10 HDEE N#Cc1ccc(C2(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)CC2)cc1 435878475 CATYYFSNFIEZJD-UHFFFAOYSA-N 420.494 1.995 30 10 HDEE C[C@H]1CN(c2ccnc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2)C[C@@H](C)O1 446416695 WCDLMBXCTFLQSW-CALCHBBNSA-N 406.490 1.924 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 446634371 CUBXHDBAGVJNNU-CGZBRXJRSA-N 421.523 1.366 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccccc2)c(=O)n1C[C@@H]1CCCO1 478742312 CSHMEGHUVXBYNK-ROUUACIJSA-N 424.522 1.588 30 10 HDEE CCCn1c(=C(C#N)C(=O)NCCOC)sc(=Cc2c(F)cccc2CC)c1=O 478742572 WSCJINKVVGWKSX-UHFFFAOYSA-N 417.506 1.287 30 10 HDEE N#CC1(NC(=O)Cc2ccc(-n3cnnn3)cc2)CCN(Cc2ccccc2)CC1 479239276 GNCDDIDZRNUULS-UHFFFAOYSA-N 401.474 1.879 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)N1CCN(Cc2ccc(Br)cc2)CC1 483593279 NVXKAHNQPGNMDV-AWEZNQCLSA-N 409.328 1.967 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 487390315 KBANWYMELJAVBN-NXEZZACHSA-N 421.397 1.312 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)CC1 493507167 RKGQAMXZJGEKSG-MRXNPFEDSA-N 408.861 1.031 30 10 HDEE COC(=O)[C@H](C)CN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 504912868 BLIFYBMGXUHBJI-CXAGYDPISA-N 412.446 1.563 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 509001062 VMSQGAXGEJYROE-QZTJIDSGSA-N 418.542 1.075 30 10 HDEE C=C(C)COc1cccc(NC(=O)C(=O)NC2CCN(CCC(=O)N(C)C)CC2)c1 520983212 DADHJIRJBWRSJQ-UHFFFAOYSA-N 416.522 1.639 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)Cc3ccc(S(N)(=O)=O)s3)CC2)cc1 527478051 SZWAVCWHUOLKTR-UHFFFAOYSA-N 405.501 1.880 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)s1 533635118 KNMLLQQZVNRYIH-UHFFFAOYSA-N 412.518 1.018 30 10 HDEE N#CC1(CS(=O)(=O)N[C@@H](Cc2cn(-c3ccccc3)nn2)C(=O)O)CCCC1 547899054 NLXVKNSZWYBUOR-INIZCTEOSA-N 403.464 1.266 30 10 HDEE C=C(C)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2cc(C)cn2)C1 549278489 BAZMLXWIUXSKBV-QZTJIDSGSA-N 404.515 1.989 30 10 HDEE Cc1nc(SCC(=O)N2CCC[C@@H](S(=O)(=O)N(C)C)C2)c(C#N)c(C)c1C 552792920 ZGNYHXSWOXTHFY-OAHLLOKOSA-N 410.565 1.853 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@H](CC)C1 555244950 VDOOMDYFMCXWIM-HUUCEWRRSA-N 417.526 1.922 30 10 HDEE CN(Cc1nnnn1C)C(=O)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C#N)cc1 556525549 KUTVONVEKFTNHX-UHFFFAOYSA-N 421.465 1.162 30 10 HDEE Cc1nc(CN(C)CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)no1 564678694 DIVCADSLNOBCPP-UHFFFAOYSA-N 411.422 1.278 30 10 HDEE N#Cc1ccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c(C(F)(F)F)c1 571132060 VUBDUVKNDOSPJG-HZPDHXFCSA-N 403.426 1.164 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNC(=O)c3ccc(C#N)nc3)cc2)CC1 609662200 UVPQLGWUZNUBDJ-UHFFFAOYSA-N 421.501 1.469 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 687293233 HRQLNGODZSQPCT-JTQLQIEISA-N 413.290 1.231 30 10 HDEE C#CCN(C(=O)c1cccc(NC(=O)CCn2ccnc2)c1)[C@@H]1CCS(=O)(=O)C1 729335257 KKBMXCUMGLJGEP-GOSISDBHSA-N 414.487 1.174 30 10 HDEE Cn1cc(CNCCN/C(O)=C2/N=CC=CC2=O)c(-c2ccc3c(c2)OCCCO3)n1 733333060 HCKASXAMOSJPSQ-DQRAZIAOSA-N 423.473 1.864 30 10 HDEE C#CCN(C[C@H](O)CN1CCOCC1)[C@@H]1CCOc2ccc(Br)cc21 733613885 OSRRWBKHDNESLR-SJLPKXTDSA-N 409.324 1.901 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)COC(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(OC)cc1 734920545 JOUINNCWKHIYLP-LIVBEALHSA-N 401.463 1.766 30 10 HDEE C[C@@H]1CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CC[C@@H]1NC(=O)OC(C)(C)C 741085914 HLVMSONFXXXXLZ-HJPHCXOUSA-N 421.498 1.458 30 10 HDEE C[C@]1(c2ccc(F)cc2)NC(=O)N(CC(=O)NCCOc2ccc(C#N)cc2)C1=O 741970961 BZDNAOYYYRQFNR-OAQYLSRUSA-N 410.405 1.660 30 10 HDEE C[C@H](CC(=O)NC[C@@H]1COc2ccccc2O1)/N=C1/NS(=O)(=O)c2ccccc21 742475243 ZVPIKCKMIRGURF-ZIAGYGMSSA-N 415.471 1.460 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(N3CCOC3=O)c2C)CC1 743245868 JEZIVVZOGGALEV-UHFFFAOYSA-N 401.467 1.403 30 10 HDEE O=C(NO)c1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)cc1 746268385 ACMAPUVLUPOWDN-QGZVFWFLSA-N 403.460 1.275 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1Cn1nc(-c2ccc(F)cc2)ccc1=O 756884070 KKMCISGGWRSMRN-HNNXBMFYSA-N 405.437 1.879 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)CCCCC1 760407295 DZXWYLOEZZFVAK-QGZVFWFLSA-N 403.504 1.955 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cc(-n3ccnc3)cs2)c(=O)n1C[C@@H]1CCCCO1 783955563 HVAGBQSUUCMOKE-INIZCTEOSA-N 423.523 1.753 30 10 HDEE COCCN(C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[C@H]1CCOC1 785708496 BTVZCLSKWMTIGH-QMWCZEAPSA-N 424.523 1.769 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])n1 788693980 KVALBEGUTBKCMC-UHFFFAOYSA-N 406.464 1.879 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C(=O)NCC(=O)O)cc1 794839275 UGGCVUCNBJKQJO-KRWDZBQOSA-N 400.456 1.414 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@H]2CC(=O)N(C(C)(C)C)[C@H]2c2cnn(C)c2)n1 795373043 GAVBCAWUCHTCEO-ICSRJNTNSA-N 410.522 1.987 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@@H]2CCC3(CCOCC3)[C@@H]2O)C1 802293314 YYTLPFMKEANISL-MWDXBVQZSA-N 422.526 1.612 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 805783283 VTRFDLZRHWBKQB-SJORKVTESA-N 406.529 1.817 30 10 HDEE CCOC(=O)c1csc(COC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)n1 814430060 PQTPRISJJBBHOZ-UHFFFAOYSA-N 409.445 1.213 30 10 HDEE CN(CC(=O)NS(=O)(=O)Cc1ccccc1C#N)C(=O)OCc1ccccc1 815895401 QGDJDYHZZGREOM-UHFFFAOYSA-N 401.444 1.773 30 10 HDEE CCOc1ccc(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)cc1 1084324870 MGWVQSZJXBIPKF-UHFFFAOYSA-N 412.479 1.962 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cnn(CCC#N)c2C)CC1 1124631165 BYQFMBFWZCNPIU-UHFFFAOYSA-N 420.495 1.247 30 10 HDEE Cc1c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nnn1-c1cccc(Cl)c1 1124650039 DINLUEIJDCXELQ-UHFFFAOYSA-N 412.841 1.913 30 10 HDEE C=CC[S@@](=O)(=NC(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1ccnn1C)c1ccccc1 1134659368 ZRRRJCWJVDHRHP-ZPJKGSQLSA-N 416.503 1.948 30 10 HDEE C#CCN(CC(=O)NC[C@@H](CO)Cc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C 1137498827 JAHAQMWHJUNFCO-KRWDZBQOSA-N 420.506 1.841 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCNC(=O)OC(C)(C)C)s1 1142561966 RCGOUDXDRLJKSX-UHFFFAOYSA-N 403.526 1.396 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccccc2OC)C1 1143068016 IOQURWFXGMWHRM-AEFFLSMTSA-N 420.531 1.490 30 10 HDEE C#CCN1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1147283824 UNQVNALANHYSTJ-UHFFFAOYSA-N 414.531 1.126 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CC[C@@H](COCc2ccccc2)C1)c1cc[nH]n1 1148061092 BESIDNKGOAFHQB-QGZVFWFLSA-N 414.462 1.759 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCCC(=O)NCc1nc(C#N)cs1 1157493034 WZUAKRMEFJBBKR-CYBMUJFWSA-N 407.496 1.537 30 10 HDEE C#CCC1(NS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CCCCC1 1195270705 PJRVEUZMPQZVLL-UHFFFAOYSA-N 418.515 1.945 30 10 HDEE N#CCc1ccnc(NC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)c1 1208111129 DVMPBUFDOJUZBN-UHFFFAOYSA-N 421.429 1.964 30 10 HDEE C=CCn1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(CCC)cc3)CC2)nn1 1264679172 XCQBHESLXKVDLN-UHFFFAOYSA-N 403.508 1.563 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NC 1286274564 OJCMSPBNCYSGQL-CYBMUJFWSA-N 402.886 1.456 30 10 HDEE C#CCCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(=O)NC)CC1 1286318026 KYGJJVMXOJKDRV-UHFFFAOYSA-N 424.505 1.981 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(N2CCOCC2)CC1 1286363782 RNZTYRZILZYKDZ-OAQYLSRUSA-N 403.527 1.253 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1OCCC1(C)C)[C@H]1CCS(=O)(=O)C1 1286392478 HHXPOERBXOCMQB-DLBZAZTESA-N 408.568 1.918 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(-n2ccnc2C)nc1 1286406670 DAFMVNZWOGTYJJ-UHFFFAOYSA-N 411.473 1.689 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@@](C)(O)c1ccsc1 1286414843 DSSBUFARGGIGAX-OAQYLSRUSA-N 411.531 1.946 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1286433866 NMJHXAZHMVMASV-UHFFFAOYSA-N 414.473 1.861 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1cccc(F)c1 1286467263 OFSMWPRANCCJCK-KRWDZBQOSA-N 420.510 1.648 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2([S@](C)=O)CCC2)CC1 1286480299 VGZMWIJDNFKZAP-LJAQVGFWSA-N 412.563 1.705 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1286495932 IXOVJJRQDOKUMQ-MRXNPFEDSA-N 420.583 1.331 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1286593195 DZHQLYABPXWKNG-HUUCEWRRSA-N 420.514 1.535 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286787848 KHDRDJLUTNPGLP-VFNWGFHPSA-N 415.469 1.321 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(CC)CC)n2Cc2nncn2C)C1 1286799706 ZCWVYVKLQYVVAW-HNNXBMFYSA-N 402.503 1.155 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2OC)nnc1N1CCO[C@@H](C)C1 1286817742 XJBZIXBKEWRIDD-HNNXBMFYSA-N 406.508 1.780 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC(C)(C)c1ccccc1OC)c1cc[nH]n1 1292384701 WRXVANQPUOQCDP-UHFFFAOYSA-N 402.451 1.796 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCCN(S(=O)(=O)c2cccc3cnccc23)CC1 1292936776 HIEHURHMEJRLOY-UHFFFAOYSA-N 416.547 1.966 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)[C@H]3C[C@H](O)CN3c3ccncn3)CC2)nc1 1295210909 HMCHYLAHKWVPKK-JYSRZZCRSA-N 408.462 1.189 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1 1295880422 BSSMLHWMHBMETL-INIZCTEOSA-N 407.496 1.904 30 10 HDEE CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC[C@H]2COCCO2)C1 1299013143 JBHGQFBIRPPHDO-PGRDOPGGSA-N 424.505 1.585 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2noc(C(F)(F)F)n2)cc1 1299782074 KEDPFASVUMGAEM-SECBINFHSA-N 402.354 1.491 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@@H](C)C2)nc1 1300294918 BCDREMFOQGLHTO-SJORKVTESA-N 420.521 1.805 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1nncn1-c1ccccc1 1300579268 OMIGTLXDDTZZFA-SFHVURJKSA-N 414.473 1.321 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1300649795 OTXMZYGWOHMCAX-MRXNPFEDSA-N 418.494 1.484 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C(C)(C)C)n2C[C@@H]2COCCO2)n1 1300677118 XSUHLAMEFGGGAS-GOSISDBHSA-N 416.526 1.474 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@@H]2CCCCN2CC)CC1 1300731635 RAQLVDJQWGXMTH-IBGZPJMESA-N 416.570 1.655 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2nccc(OC)n2)CC1 1301218745 SUYVDUOCFIWQBG-UHFFFAOYSA-N 409.498 1.770 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C)C(=O)[C@H]1C 1301229176 IVSWKFKQLRTXRX-CQSZACIVSA-N 402.524 1.903 30 10 HDEE C=CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC[C@H](C(F)F)N1CCOCC1)C1CC1 1301323957 XXYTUMCFCIFBQM-JKSUJKDBSA-N 424.496 1.740 30 10 HDEE COCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301460319 BJKYNLPBXPHSNR-HNNXBMFYSA-N 411.466 1.471 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1 1301588306 FPVCUVQDNYBCTI-MWDXBVQZSA-N 410.540 1.102 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1301609569 LHGQMNSAIWTLBW-CVEARBPZSA-N 401.540 1.325 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOC2CCOCC2)cc1 1302989240 JDKMEWOUITXLSC-UHFFFAOYSA-N 424.505 1.729 30 10 HDEE CC1(C#N)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCNC(=O)C2CCC2)CC1 1303941815 HAYGZFJFOROMKV-MRXNPFEDSA-N 413.526 1.666 30 10 HDEE Cc1nnc(N2CCO[C@@H](c3cccc(C#N)c3)C2)n1CC1(S(C)(=O)=O)CC1 1304865790 GJTWAAGJVULADC-QGZVFWFLSA-N 401.492 1.613 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@@H](CC)[C@@H](C)O)nnc12 1306843074 VUQVUFJTQKCGEV-OCCSQVGLSA-N 401.492 1.598 30 10 HDEE CN(CCN(C)c1cc(F)c(C#N)cc1[N+](=O)[O-])c1ccc(S(N)(=O)=O)cc1 1307128124 GQWHKNJMXPFXIF-UHFFFAOYSA-N 407.427 1.826 30 10 HDEE CC1(C)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[S@@]1=O 1307769238 ARTGGGGTTOVEHW-SLQAJWMNSA-N 420.554 1.768 30 10 HDEE C=CCN(CC=C)[C@@H](CNC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)C(C)C 1311388753 QZMGZIGBILJOSG-KRWDZBQOSA-N 424.571 1.124 30 10 HDEE CC(C)(CNS(C)(=O)=O)NC(=O)NC1CCC(Oc2ncccc2C#N)CC1 1312538812 NMHWGRMXZACMCW-UHFFFAOYSA-N 409.512 1.270 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCC(=O)N2)n1CC1(O)CC1 1316086055 JEKMTHSQOBOKHW-QGZVFWFLSA-N 410.478 1.279 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)C1 1320364893 KBLCGNDKAJRRMM-ZWKOTPCHSA-N 416.526 1.269 30 10 HDEE CN1C(=O)CN(CC(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)C1=O 1354421237 KVMGZSBOEMUOHJ-UHFFFAOYSA-N 402.461 1.535 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccccc1 1358872902 ZWYXKGNFMFZCFP-DOXZYTNZSA-N 405.524 1.254 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1358927619 DIPWPVVILBAAAL-SFHVURJKSA-N 420.517 1.666 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCCNC(=O)c1cccc(O)c1 1358950477 MGODXYBZRMBKON-UHFFFAOYSA-N 404.474 1.859 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1c(C)coc1C)[C@H]1CCS(=O)(=O)C1 1358963282 FKZGMGXTZREUAU-IRXDYDNUSA-N 418.519 1.667 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](OC)c1ccccc1 1358968811 AAMHWSVTKRSAGE-FUHWJXTLSA-N 415.519 1.349 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1ccc(C(N)=O)nc1 1359000890 GWBOLISGFKIAAH-NRFANRHFSA-N 412.494 1.320 30 10 HDEE C#CCN(CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H](C)N1CCOCC1 1359011888 QBNRATUTDHHEMT-SFHVURJKSA-N 407.522 1.697 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1Cc1ccc(NC(C)=O)nc1 1359026399 WVFNPAZMZMDDJB-UHFFFAOYSA-N 419.489 1.752 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCn2ccnc2C1 1359026556 BWTHTVGQZKVKIY-IBGZPJMESA-N 422.537 1.685 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc(CC)s2)CC1 1359028334 OJOWFXXZSWRIJV-UHFFFAOYSA-N 400.552 1.844 30 10 HDEE C#CCSCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1359048973 FMYGAKXHUZFDOF-IAGOWNOFSA-N 405.568 1.986 30 10 HDEE C=CCCOCCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 1359227126 UCUGLEPJZNPNTJ-INIZCTEOSA-N 414.510 1.421 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1359237383 WSKSYNMNWUMYNO-UHFFFAOYSA-N 401.496 1.257 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1359281796 JNUWDFUCNMLWFY-MRXNPFEDSA-N 412.556 1.514 30 10 HDEE C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1)N1CCOCC1 1360553885 DWJFGEWZIWAZHB-NVXWUHKLSA-N 401.515 1.080 30 10 HDEE C=CCCOCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1437855191 NTQHHLHBVYURFN-UHFFFAOYSA-N 410.515 1.396 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)NCCNc2ncccc2C#N)C1=O 1442335912 LDASAFMLTAHTLG-HNNXBMFYSA-N 401.467 1.062 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)cc1 1454122555 WACDVDMJUKYSTA-RTBURBONSA-N 419.547 1.524 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1456023705 GFUSMLJDUGYDOT-FQEVSTJZSA-N 412.534 1.709 30 10 HDEE COC(=O)[C@@H]1CN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C[C@H]1C(=O)OC 1457145686 MTJJRWZLAXGUAS-ZIAGYGMSSA-N 403.460 1.587 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N(C)C[C@H](O)c1cccc(C#N)c1 1460356290 OTCJISFQGBTUGW-VGSWGCGISA-N 408.502 1.966 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)c1 1464546226 VQHNCDZSGZLHNA-SFHVURJKSA-N 420.462 1.804 30 10 HDEE COc1cc(Br)c(N)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 1464926098 POBNGQBNPWEUTB-JQIJEIRASA-N 409.240 1.296 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC[S@@](C)=O)CC3)n[nH]2)c1C 1465321177 KASOOXYJCYLUJD-MUUNZHRXSA-N 404.540 1.212 30 10 HDEE C=CC[C@@H](NC(=O)CCNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OCC 1466783735 WOEQXKOYYASPHZ-CABCVRRESA-N 411.499 1.516 30 10 HDEE C#CCn1cc(CNC(=O)CCS(=O)(=O)c2cccc(Br)c2)cn1 1467724624 FXRQCJVVVHRXDZ-UHFFFAOYSA-N 410.293 1.759 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1468127436 BYIVAFRMMHQSJH-KZNAEPCWSA-N 403.504 1.801 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)NCCn2cc(C#N)c(O)nc2=O)CCN1Cc1ccccc1 1469156511 BNIOYBHTOKISNY-QAPCUYQASA-N 410.478 1.173 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1469368358 SAMXQGXEDNPYTK-BRSBDYLESA-N 424.563 1.919 30 10 HDEE Cc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)cc1I 1470360421 HMMXQRRRLXXSSS-UHFFFAOYSA-N 424.198 1.164 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1C[C@@]2(C)C(=O)NC(=O)[C@@]2(C)C1 1471028843 DJCMJTLYIRYSPS-GBLZOACLSA-N 406.483 1.475 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1471647441 BDBHOJOAJATUHG-UHFFFAOYSA-N 423.363 1.881 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1479095520 KRIIKFYHLPASNN-OAHLLOKOSA-N 411.499 1.609 30 10 HDEE Cc1cccc(OCc2nnc(N(C)[C@H](C)CC#N)n2CC(=O)N2CCOCC2)c1 1492536742 HHCRZQMPDRNUKL-QGZVFWFLSA-N 412.494 1.763 30 10 HDEE COC[C@H](Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1)OC 1504577213 ARWKLAHDEYIYJW-YJBOKZPZSA-N 404.402 1.957 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 1507513514 AGJPWGXQKMFFFS-YLAKUSLOSA-N 424.615 1.857 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@H](C)N(C)C1CC1)[C@H]1CCS(=O)(=O)C1 1507621450 ANOXZSGQPZMFFR-RDJZCZTQSA-N 407.584 1.685 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CC1(N2CCOCC2)CC1 1507712870 RPDWMVBDDAUYBS-GOSISDBHSA-N 403.527 1.471 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCOC(C)C)CC1 1507719818 QIIKQIGVYJJXPL-NRFANRHFSA-N 405.543 1.501 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)[C@H](C)CCC)CC1 1507732913 YXSCWEJNZHTSKB-MSOLQXFVSA-N 402.543 1.090 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)C1CC1 1507771540 BGIKQYRYYXWCKL-RZQQEMMASA-N 405.568 1.655 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCNC(=O)[C@@H]1CC 1507847158 HCLBTHODQVWGPH-KRWDZBQOSA-N 401.515 1.447 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CC[C@H](CO)O1 1508018153 OVBOWNUAVTWDJO-LSDHHAIUSA-N 401.467 1.724 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCS(=O)CC1 1508075281 VYNXFYQVWBBOAY-UHFFFAOYSA-N 423.926 1.478 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)Cc1cc(C)on1 1508093633 VWPVFNUXEIIRIP-UHFFFAOYSA-N 421.461 1.964 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1508143707 JLARESJIGZPUOF-TWOQFEAHSA-N 424.567 1.604 30 10 HDEE CC(C)[C@@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1508847238 ZJZFJABHTACANG-VXKWHMMOSA-N 408.506 1.940 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)N(C)C 1509948299 DMHNSFCSMQOCEW-CYBMUJFWSA-N 421.483 1.483 30 10 HDEE CC1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCN/C(O)=C1/N=CC=CC1=O 1510320148 YOOKZMFLWRUGPY-LTRYHMRKSA-N 413.482 1.134 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1C[C@@H]1COc2ccccc2O1 1519165876 QWDIMXTWRJRXSI-DLBZAZTESA-N 413.478 1.988 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCOC(C)C 1519446900 HWXDXMKTGHLCEY-WDSOQIARSA-N 418.542 1.604 30 10 HDEE C#CCC1(C(=O)N2C[C@@H]3CCC[C@]3(NC(=O)[C@@H]3OC[C@@H]4COCC[C@@H]43)C2)CCC1 1522376399 KHLBZDOYDHUBJR-REKURBBTSA-N 400.519 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCNC(=O)c1ccco1 1539037364 FGMWXQBURNVOJA-ZOBUZTSGSA-N 401.467 1.483 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCCC2)CC1 1539476567 BOEKICSUAXRQEY-UHFFFAOYSA-N 424.553 1.130 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1539642061 OVHGGKJGGPOVCP-XCJLJZCSSA-N 419.570 1.953 30 10 HDEE C=C(C)COCCn1c(N2CC[C@H](C(=O)OC)C2)nnc1[C@@]1(OCC)CCOC1 1539759694 KPXRAUFDVCBTAY-OXJNMPFZSA-N 408.499 1.522 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1540198867 RLGBDUQIRHFZJT-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE CNC(=O)CN1CCC(NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540638637 GPHPRZBGGUCDBY-MRXNPFEDSA-N 409.531 1.290 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1540861831 IDXXGORXWADTJF-IRXDYDNUSA-N 404.515 1.526 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCSC)C1 1540892289 JEDGQFFAPFCPBM-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N(C)CC1CCOCC1 1540902490 KXJRRPXRCCHAQW-QGZVFWFLSA-N 412.556 1.983 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1CCN1CC=CCC1 1546579098 FJLJSLSTOSMDBI-IBGZPJMESA-N 405.506 1.793 30 10 HDEE CC[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1552417657 RQLKHDWAJQJERZ-AFJIDDCJSA-N 412.519 1.444 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCN[C@@H](Cc3ccc(F)cc3)C2)c1 1557727287 MKZJBVJMOHZTGY-IBGZPJMESA-N 415.490 1.394 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](OCCC)c2ccc(F)cc2C)CC1 1558074489 AXRWSVDWBPWBQY-SFHVURJKSA-N 411.499 1.214 30 10 HDEE C=CCOCCCNC(=O)N1CCN([C@H]2CCCN(c3cc(C)nn3C)C2=O)CC1 1565082755 YTRQOWUDJLTDTH-SFHVURJKSA-N 418.542 1.144 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1c[nH]nc1[C@H]1CCN(C(=O)OC(C)(C)C)C1 1566741006 NZYWLFFSWCCOGM-ZDUSSCGKSA-N 412.512 1.465 30 10 HDEE CN1CCN(CCC(C)(C)NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1567741735 PJLDYYHTULMPPX-UHFFFAOYSA-N 410.515 1.269 30 10 HDEE CCC[C@@H](C)[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1583571558 JQMFUMZEHIHDNY-BEFAXECRSA-N 407.536 1.872 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)s1 1585973773 PXRFCTAVNBFYMF-GFCCVEGCSA-N 420.578 1.179 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1587651686 PYCBPQANJYEFGD-OAHLLOKOSA-N 414.473 1.517 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCO[C@@H](c3ccncc3)C2)cc1 1587659031 ULFQWDAZWOBENT-PKOBYXMFSA-N 414.487 1.924 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1587852687 XPLSSONGWPZGRY-INIZCTEOSA-N 424.465 1.272 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1587857129 WDYNFRHVJDDMNR-KRWDZBQOSA-N 409.494 1.016 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(=O)(=O)CC 1587926886 KZQURBYRUMUODK-UHFFFAOYSA-N 415.317 1.044 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C)cc1O[C@@H]1CCOC1 1587979550 SQECBARZTGPFTA-MSOLQXFVSA-N 409.490 1.823 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-n1ccnc1 1588224459 ZMSCXKLENCFPMO-LJQANCHMSA-N 413.485 1.926 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2[C@@H]2C[C@H]2CF)CC1 1588890944 JCJZQELPOKRRMN-CSODHUTKSA-N 419.501 1.427 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(CC)cc3)n2CC2(O)CC2)CC1 1588899544 RVSGKXJYLDFJKS-UHFFFAOYSA-N 407.518 1.998 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1593746376 CPAWWXQKWAHNML-OAHLLOKOSA-N 410.478 1.910 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cscn1 1594813120 OUZKORZPAJQTAQ-AWEZNQCLSA-N 411.553 1.866 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CN1C(=O)NC2(C[C@@H](C)C[C@H](C)C2)C1=O)C(=O)OCC 1596777755 LAHUDESIXVVTEL-OBJOEFQTSA-N 413.902 1.924 30 10 HDEE C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1nnc2n1CCC2 1597163046 HDOKZKMAYYQTED-WFASDCNBSA-N 407.434 1.178 30 10 HDEE COC(=O)[C@@H](CC1CCOCC1)NC(=O)C1CCN(c2oc(C)nc2C#N)CC1 1598315764 VWHLMPYIVDYYRD-MRXNPFEDSA-N 404.467 1.546 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CNC(=O)CN2C(=O)c2ccc(Cl)c(C#N)c2)C1 1611051033 VOVBJHVKLLNVTB-UHFFFAOYSA-N 404.854 1.773 30 10 HDEE Cc1nnc(NCC[C@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)c(C#N)c1C 1612884335 QSIZZBMPTYJTCW-AWEZNQCLSA-N 409.512 1.801 30 10 HDEE CC[C@@H](C)N(C)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1613419933 FQUHCHSZOSNCMG-XDNAFOTISA-N 406.531 1.461 30 10 HDEE N#CCCn1ncc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1-c1ccccc1 1616337217 WLRATTRMYCAAIK-OXJNMPFZSA-N 409.471 1.474 30 10 HDEE N#Cc1cccnc1N1CCN(c2nnc(C3CC3)n2CCSCCCO)CC1 1620352360 STMGHNGKDQCWOK-UHFFFAOYSA-N 413.551 1.864 30 10 HDEE N#CC1(C[C@H](O)CN2CCC[C@H](S(=O)(=O)Nc3ccccc3)C2)CCOCC1 1620419804 JFYXSOSVECZZKS-OALUTQOASA-N 407.536 1.964 30 10 HDEE C[C@@H](C(=O)N1CC[C@H](N(C)c2cccc(C#N)c2)C1)S(=O)(=O)C1CCOCC1 1627790960 VGPDDJHRGPNETQ-YJBOKZPZSA-N 405.520 1.578 30 10 HDEE COC[C@H]1C[C@@H](O)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1628495690 AXIRTXJZGOWIAY-HUUCEWRRSA-N 400.435 1.631 30 10 HDEE CC(C)(CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1)S(C)(=O)=O 1630184164 XXAUDOKCQUTGOL-UHFFFAOYSA-N 414.325 1.696 30 10 HDEE C#C[C@H](NC(=O)N[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Br)cc1 1632077947 WJLLAFQARDMWFJ-HOTGVXAUSA-N 416.279 1.962 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)c2ccc(C#N)cc2F)C1 1634387465 YEGPZPQRXFQATO-UHFFFAOYSA-N 402.426 1.649 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)C2)n1 1636278036 DSKVSYPNHBZSJR-ZDUSSCGKSA-N 406.439 1.909 30 10 HDEE C#C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1637715316 MPULIGTYHLFIGV-SJLPKXTDSA-N 413.474 1.939 30 10 HDEE COC(=O)[C@](C)(O)CNC(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1638171174 CKEZDPLIVRTXQM-IIBYNOLFSA-N 417.462 1.433 30 10 HDEE C#CCN1CCC(NC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)CC1 1638678441 JSRLUGMNLCGAIB-UHFFFAOYSA-N 411.527 1.993 30 10 HDEE N#C[C@@]12CN(C(=O)c3c[nH]c4cccc(Br)c34)C[C@H]1CS(=O)(=O)C2 1639174967 HUIPYJTXARGIQT-QFYYESIMSA-N 408.277 1.941 30 10 HDEE CCN(CC(C)C)c1nc(CC(=O)NCCn2cc(C#N)c(O)nc2=O)cs1 1641970266 FAKNUNONYIJUOG-UHFFFAOYSA-N 404.496 1.118 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(NCC(C)C)CC2)cc1 1642402822 JBRXPADUJVTKNW-UHFFFAOYSA-N 409.552 1.364 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H]1CC=CC[C@H]1C(F)(F)F)c1cc[nH]n1 1642909872 VIBDYWWXFAZWNU-NWDGAFQWSA-N 402.373 1.954 30 10 HDEE CCc1cc2oc(=O)cc(Cn3c(=O)c(C#N)c(C)n(CCO)c3=O)c2cc1Cl 1644183292 FKWMVMMWBCIPFI-UHFFFAOYSA-N 415.833 1.553 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@H](Cc1ccc(F)cc1)n1nnnc1C 1644596650 LMFZYNZJZHANPV-KRWDZBQOSA-N 401.442 1.708 30 10 HDEE C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1 1645874535 HOKBQMYVQSYFCV-OAHLLOKOSA-N 415.519 1.601 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)OC)[C@@H](C(=O)OC)C1 1647949369 JHQZDBTXGZZYKG-AVGNSLFASA-N 418.874 1.443 30 10 HDEE CC(C)(C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1)c1cc(F)cc(C#N)c1 1648280348 WJDPEKOPUDZEDU-WGAFOPHPSA-N 421.494 1.302 30 10 HDEE CC(C)(C)n1ncc(C(=O)N2CCN(CCC#N)CC2)c1I 1648962830 AJDDMCGHCZXLIE-UHFFFAOYSA-N 415.279 1.914 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)c(F)c1 1666567277 WRRRBUNCOBQEAU-LBPRGKRZSA-N 424.313 1.540 30 10 HDEE C#C[C@H](NC(=O)NC1CCN(CC(=O)N(C)C)CC1)c1ccc(Br)cc1 1677045903 ULARZHWJONPYFB-KRWDZBQOSA-N 421.339 1.975 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CS1(=O)=O 1680025275 YCBDEUZSAWXWKZ-UKPHBRMFSA-N 404.492 1.319 30 10 HDEE Cn1nc(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C(F)(F)F 1682226604 NBKLNJZNLOZEJI-OAHLLOKOSA-N 420.395 1.911 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 1684077726 KBZJCIRFHGQTPZ-HXUWFJFHSA-N 409.534 1.001 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N(C)C)nc1 1689851895 XEYTUQZOJKNTRD-GDBMZVCRSA-N 402.524 1.147 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OCC(F)(F)F)nc1 1689943084 KIPAPIAXPWEACA-UHFFFAOYSA-N 422.411 1.968 30 10 HDEE C#CCN(CC#CC)c1nnc(CCOc2ccccc2)n1CC1(O)CCOCC1 1690052561 LBEXSROECALCKN-UHFFFAOYSA-N 408.502 1.904 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ncc(CC)s1 1690092279 CCTIOJSIXKSMJX-UHFFFAOYSA-N 402.524 1.667 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCCN2CCOC2=O)CC1 1690117374 FIWFXFQLPLLONI-UHFFFAOYSA-N 424.505 1.551 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1690699507 GBPHZIFGEIHMHQ-ZWKOTPCHSA-N 421.567 1.223 30 10 HDEE CC(C)CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)C1 1692398032 FQEJOOOSFNHAGE-UHFFFAOYSA-N 412.494 1.728 30 10 HDEE CCN1CCN([C@@H](C)Cn2c(-c3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1695867620 FUUOTUHTPGTTCN-ZWKOTPCHSA-N 410.526 1.095 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1NC(=O)CC1(C)C 1697588353 WIZBCNPPCBEGTM-FUHWJXTLSA-N 424.505 1.521 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1698138950 WJIAHSFDYVDGEU-YCRPNKLZSA-N 416.526 1.753 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OC)n1Cc1cn(C2COC2)nn1 1705501433 IVGHKUABUQJCAL-HNNXBMFYSA-N 423.477 1.535 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705560230 ISPJNPQTOFDJJE-YESZJQIVSA-N 424.567 1.675 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1cn[nH]c1 1705580332 ILIZWNGDBOZCKM-UHFFFAOYSA-N 412.457 1.231 30 10 HDEE C#CCN(CC#CC)c1nnc(CSc2ccc(C)cc2)n1Cc1nnn(C)n1 1705602375 SFMALKWZRMTSGX-UHFFFAOYSA-N 406.519 1.914 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC(=O)N(CCOC)C1 1705609479 FXEMPVYXPKRNCR-SFHVURJKSA-N 406.490 1.771 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2CC=CCO2)CC1 1705632552 TVTQIZWNBADMQH-SFHVURJKSA-N 400.527 1.297 30 10 HDEE C=CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1705805191 BGFKJUNAIPPPER-CVEARBPZSA-N 414.514 1.670 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)C(C)C)CC1 1705806179 YIJXVVNYQSYTHN-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nccnc2C)CC1 1705830396 OKNHKPNVEHXOSW-SFHVURJKSA-N 413.526 1.800 30 10 HDEE C=CCN(CCOC)c1nnc(CC(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1705885153 JKRMIZSFCZWBNL-MRXNPFEDSA-N 413.588 1.930 30 10 HDEE C[C@H]1COCCN1CCn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N(C)C[C@@H]1C 1708262529 FDVLNPHZIPABAM-IRXDYDNUSA-N 423.521 1.204 30 10 HDEE CCO[C@@]1(c2nnc(N(C)Cc3ccc(C#N)cc3)n2Cc2cnnn2C)CCOC1 1710427256 AGUCVEWRFTVWTQ-NRFANRHFSA-N 422.493 1.615 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2NC(=O)CC2(C)C)CCO1 1712287717 KMGMXYPMZPRDQI-ZWKOTPCHSA-N 424.505 1.583 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1722333441 KOGUSTDYZGVDOI-RTBURBONSA-N 414.554 1.676 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC(CC)(CC)OC)[C@@H]1CCS(=O)(=O)C1 1722365511 FEGOKVLUVMNGHV-DLBZAZTESA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722369924 IRHBYJSLCRLHIU-QGZVFWFLSA-N 418.519 1.390 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCC(=O)NC(C)C)CC1 1722445122 MIIKZUSGULMEPG-UHFFFAOYSA-N 422.533 1.826 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1722526246 SXTMYUHJZYABCD-QGZVFWFLSA-N 409.538 1.629 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722558311 KHSVULYOCWUCBB-KSSFIOAISA-N 411.890 1.712 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1CC1CCS(=O)(=O)CC1 1722680811 ANXZCGVIFCAQKK-KRWDZBQOSA-N 412.556 1.983 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)C(C)C 1722680867 BVFIKYKVJYOZLN-YJBOKZPZSA-N 400.545 1.226 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1722737992 YOQVGGZINBGXQV-HNAYVOBHSA-N 404.540 1.982 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@](F)(C#N)C1 1723878908 OEAVUZJLIAXWNT-HLIPFELVSA-N 406.506 1.582 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2C[C@]2(C)CN(C)C2=O)CCOC1 1728805207 OPRCWBARVMEVKB-PCCBWWKXSA-N 416.526 1.539 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3noc4c3COCC4)n2CCOCC(F)F)CCO1 1731190750 TVIVYSYONTYNGY-LLVKDONJSA-N 410.381 1.016 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(Cc2cnn(C)c2)CC1 1740588783 GSPVNLZUYPUVOQ-GOSISDBHSA-N 410.526 1.088 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCN1CCCO[C@H](C)C1 1740601233 YGNMFXDYRMONMQ-KNQAVFIVSA-N 419.570 1.889 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1C[C@]1(O)CCOC1 1740686707 WQOOMIJROMQUDW-WIYYLYMNSA-N 414.462 1.028 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H](C)OC)CC1 1740694279 FAMNYGJBPPPZMC-OAHLLOKOSA-N 407.478 1.384 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(CC)CC2)CC1 1740701218 YPLIPUKZFUYMLC-UHFFFAOYSA-N 400.527 1.572 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1740719965 NRBOLTIVUARVSX-SJORKVTESA-N 419.551 1.151 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1740723481 SHKZPQKKOBBUKZ-INIZCTEOSA-N 407.540 1.009 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCOC1 1740751674 NKJUREBZHMBDHG-FPCVCCKLSA-N 413.544 1.095 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(S(C)(=O)=O)CC1 1740885822 OQLLZFQNJOGFHQ-MRXNPFEDSA-N 413.544 1.194 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCO[C@H](C#N)C1 1740956392 LBAFQYMMUKYCQI-CQSZACIVSA-N 416.869 1.638 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@H](n2cncn2)C1 1740956631 WGTCXNJGIXRKDA-INIZCTEOSA-N 422.493 1.689 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N(C)CCS(C)(=O)=O 1740956838 RPHZDGGTBJFLCP-UHFFFAOYSA-N 405.524 1.291 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)NC(C)C)nnc1N1CCS(=O)CC1 1740968809 PMUCWZPMZPUPCJ-UHFFFAOYSA-N 417.535 1.598 30 10 HDEE CCN1CCN(c2nnc(C3CCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1C 1746449091 RJTKEFVBFPTGLQ-LZICOFPGSA-N 413.526 1.602 30 10 HDEE CN(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1747595742 NPQRQYQMJXCAIC-UHFFFAOYSA-N 412.498 1.244 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCCn1cc(CO)nn1)[C@@H]1CCOC1 1747623465 JBICLEJQMMLTBS-GOSISDBHSA-N 408.466 1.216 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1CC[C@@H]1COCCO1)[C@H]1CCOC1 1747655983 DSUUEWMIWKUPOJ-PKOBYXMFSA-N 413.478 1.759 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(C)Cc1cnn(C)c1 1748745958 ZSTVLHLKKUHLPA-UHFFFAOYSA-N 416.489 1.975 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1748801502 BEFQHHHUKPKUCS-QZTJIDSGSA-N 407.584 1.760 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc([C@@H](C)O)cc1)[C@H]1CCS(=O)(=O)C1 1748818202 XHEVNNAVBJINTJ-QAPCUYQASA-N 402.520 1.569 30 10 HDEE C#CCSCCn1c([C@H](C)OCCOC)nnc1N1CCN(C(=O)OC)CC1 1749021903 CBPUADMATSCQGJ-HNNXBMFYSA-N 411.528 1.257 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](C(N)=O)C1 1749211181 VJVATHKVCDWDFH-OAHLLOKOSA-N 413.482 1.220 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1749235344 COZPSDAQUGEBAM-FVJLSDCUSA-N 416.526 1.582 30 10 HDEE C=CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C)C1 1749756313 WLBFAXKZDJVTCB-RBSFLKMASA-N 400.570 1.713 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1749796436 MDLVUZDTGOXWLQ-YOEHRIQHSA-N 411.466 1.047 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCSc1nccs1 1750969590 AGMGCXOYULWDMJ-ZDUSSCGKSA-N 421.552 1.784 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1760152198 XWQKCOXSAYCOBD-SFHVURJKSA-N 414.535 1.758 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC(C)C 1760218783 NFEDJXOJIKNNEE-QGZVFWFLSA-N 407.540 1.310 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)CC1 1760396780 IQQSRNJKSUFKAF-ZBSNKRKSSA-N 415.585 1.202 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](CN2CCOCC2)C1 1760428950 MDRHPXZWQIPXOE-LJQANCHMSA-N 416.570 1.915 30 10 HDEE C=CCCCCn1c(CNC(=O)c2cccs2)nnc1N1CCNC(=O)CC1 1760429729 NMHQQHYLMPBEIW-UHFFFAOYSA-N 402.524 1.952 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760431692 YZASPYJDMSQFDA-UHFFFAOYSA-N 417.558 1.127 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNC(C)=O)CC1 1760449138 BNQNQFAHBGOEME-QGZVFWFLSA-N 404.515 1.174 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760510132 HMMQNSJWKBEGLN-MRXNPFEDSA-N 407.540 1.205 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(F)(F)F)CC1 1760520258 IBPOSKKHUBFHLS-UHFFFAOYSA-N 409.416 1.327 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1760544089 VOGDABPBNQEDAV-DENIHFKCSA-N 415.513 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(CC)CC)nnc1N1CCC=C(C)C1 1760549102 WJMQUVMTDIYITN-UHFFFAOYSA-N 409.556 1.954 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](OCC(C)C)C1 1760555541 HVLCXOPWERENOM-IAGOWNOFSA-N 412.556 1.634 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1760565851 FYIWRONSTVXVNZ-LSDHHAIUSA-N 415.585 1.219 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)N(C)C 1760692341 DMYZSIWMAAKAPK-GFCCVEGCSA-N 411.919 1.481 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnnn1C 1761036859 KKWJZAPIDIXKAM-UHFFFAOYSA-N 406.498 1.247 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C)[C@H](C)C2)n1Cc1ccc(C#N)o1 1761479704 QUWDEDGSRPYJOY-MCIONIFRSA-N 406.512 1.884 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1762372059 HOCMOIXLAZGTDX-MRXNPFEDSA-N 416.489 1.825 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1767010669 HTLHSFDMALTRSU-UHFFFAOYSA-N 422.489 1.458 30 10 HDEE Cn1nnc(Cn2c(COc3ccccc3F)nnc2N2CCC[C@@](C)(C#N)C2)n1 1769086764 AYAJJCCMOYHNIA-IBGZPJMESA-N 411.445 1.698 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCC2(O)CCC2)CC1 1771137627 DIXDTQHXKSSUTD-UHFFFAOYSA-N 410.522 1.890 30 10 HDEE C=CCN(C(=O)c1cc2c(=O)n3ccccc3nc2n1CCC)[C@@H]1CCN(C)C1=O 1849244611 LGVVQRSTPUPUJJ-MRXNPFEDSA-N 407.474 1.918 30 10 HDEE N#Cc1cccnc1C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 1849745047 LYTIHEJQMOEZLI-UHFFFAOYSA-N 410.455 1.504 30 10 HDEE C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)NCC#Cc3cnn(C)c3)cc2)C1 1850309683 JPWAYOWTZREMCE-IRXDYDNUSA-N 414.531 1.868 30 10 HDEE CCc1ccccc1N1C[C@@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1851783285 WHUWDHQFSQWFJR-KRWDZBQOSA-N 404.474 1.612 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC(=O)C3(CCN(Cc4ccccc4)CC3)C2=O)CC1=O 1853103866 SUTHWDAFIPEFRH-GOSISDBHSA-N 409.486 1.241 30 10 HDEE C=CCN1CC[C@@H](N2CCN(C(=O)CCc3nc(-c4ccccc4)no3)C(=O)C2)C1 1853666855 LPMBZOLFFTXPIT-GOSISDBHSA-N 409.490 1.600 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCCC4)C3)C(=O)C2)C1 1853742022 SVBHBSJYGTZIIQ-MJGOQNOKSA-N 402.539 1.099 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccccc2)C(=O)C1 1854599895 VGIFJLPDTFAMHA-GOSISDBHSA-N 405.520 1.477 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)COc3ccc4c(c3)OCO4)C1=O)CC2 1855022439 AMDGULAHNOHBBY-NVXWUHKLSA-N 411.458 1.937 30 10 HDEE C=CCN(CC=C)C[C@@H]1CCC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1855312136 MXQXKAJFHDCQQM-ZWKOTPCHSA-N 423.579 1.630 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCC(c4nccn4C)CC3)CC2=O)CC1=O 1855900931 ZAJHDPOOTNBWQG-FUHWJXTLSA-N 413.522 1.009 30 10 HDEE Cn1cccc(C(=O)N2CC[C@H](N3CCC(c4ncccc4C#N)CC3)C2=O)c1=O 1856467629 UPKTXUWQFTZKPN-SFHVURJKSA-N 405.458 1.273 30 10 HDEE C[C@H]1CN([C@@H]2CCN(C)C2=O)c2ccccc2N(C(=O)c2ccnc(C#N)c2)C1=O 1856616460 XNSATEJVXOOBBY-IFXJQAMLSA-N 403.442 1.813 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@H]2CN(C(=O)c3ccc(F)c(F)c3)C(=O)O2)CC1 1856738425 ISSXMBPNQBJDFP-OAHLLOKOSA-N 413.402 1.491 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCN3CCCCC3)C3(CCCC3)C2=O)CC1=O 1856866782 PSTRMZQBKZUPKO-LJQANCHMSA-N 416.566 1.490 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C3CCN(S(=O)(=O)CC#N)CC3)CC2=O)c(C)c1 1857042245 UTLZBWDQWPRNNO-QGZVFWFLSA-N 403.504 1.858 30 10 HDEE C[C@H]1C(=O)N(C(=O)Cc2ccc(C#N)cc2)CCN1S(=O)(=O)C1CCCCC1 1857107118 NXPVLTBVCQMLOU-HNNXBMFYSA-N 403.504 1.823 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cn3ccc(C)cc3n2)C1)[C@@H]1CCN(C)C1=O 1857252943 OHDOPXNDVLZXMV-FUHWJXTLSA-N 409.490 1.350 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cccn1 1857486562 HKDMLRYIWNEMMM-UHFFFAOYSA-N 402.476 1.586 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CC[C@H](NS(=O)(=O)CCc2ccccc2)C1 1858335493 NWSBZYKXXZCPEC-SFHVURJKSA-N 419.528 1.483 30 10 HDEE CCCCCCCCNC(=O)[C@H](CCC(N)=O)NC(=O)c1ccc(=O)n(CC)c1 1861230652 BFASUVSHIQIRPN-KRWDZBQOSA-N 406.527 1.709 30 10 HDEE CN(C(=O)COc1ccc(Br)cc1)C1CN(c2nccnc2C#N)C1 1890368838 IGMUMNDTZAHZJY-UHFFFAOYSA-N 402.252 1.837 30 10 HDEE Cn1cc(-c2cncc(N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)n2)cn1 1891613855 XADQJSXYMSPQOH-UHFFFAOYSA-N 409.475 1.260 30 10 HDEE C=C(Br)CS(=O)(=O)N=c1[nH]ccnc1I 1975045231 PIXZMJOMXWXMFP-UHFFFAOYSA-N 404.027 1.153 30 10 HDEE C[C@]1(NS(=O)(=O)N2CCC(C#N)CC2)CCN(C(=O)OCc2ccccc2)C1 2054406995 AQAJUQRFJAMBMK-IBGZPJMESA-N 406.508 1.858 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@@H]1O 2076821653 PRULAJGGUSCXBC-GUYCJALGSA-N 419.316 1.642 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=NS(=O)(=O)N2CCC[C@H](C#N)C2)CC1 2118169693 JFSYIADEHQGMEU-CYBMUJFWSA-N 406.530 1.185 30 10 HDEE COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1S(=O)(=O)CC1(C#N)CCC1 2174782283 OWHXIDHYIJUOIM-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNS(=O)(=O)CC2(C#N)CCC2)CC1 2174789783 VEQOTQGZSNDYHU-UHFFFAOYSA-N 400.545 1.589 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(CNS(=O)(=O)c2ccc(C#N)s2)C1 2237807055 IEBRZXOMGPGEPC-YVEFUNNKSA-N 413.521 1.924 30 10 HDEE COC(=O)[C@H](C)S(=O)(=O)Nc1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)n1 2241158302 IDSJRVRTEBEJCI-VIFPVBQESA-N 404.681 1.337 30 10 HDEE C[C@@H]1C[C@@H](C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)N1C(=O)OC(C)(C)C 2243662498 BEYIHRKLFFSCIS-MNOVXSKESA-N 424.332 1.596 30 10 HDEE Cn1nc(C(=O)N[C@H]2CON(C(=O)OC(C)(C)C)C2)cc1B1OC(C)(C)C(C)(C)O1 2247823286 MXFQUTSFZWHEGX-GFCCVEGCSA-N 422.291 1.000 30 10 HDEE CCn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC(=O)NCc1ccccc1 2247837698 WUOUIPSEYQRXBH-UHFFFAOYSA-N 412.299 1.248 30 10 HDEE Cn1ncc(C(=O)N(CCC(N)=O)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247915475 CQANXFAGGPFCHU-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258156596 LKHZHYCRYSUTAP-DOTOQJQBSA-N 410.492 1.682 30 10 HDEE C#C[C@@H](C1CC1)N(C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC 2258190509 ZRRDOHFGRDJMJE-SJORKVTESA-N 408.476 1.128 30 10 HDEE C#CC1CC(NC(=O)OC(C)(C)C)(C(=O)N2CCSC[C@H]2S(C)(=O)=O)C1 2266483412 CFKWGABRXCDKOD-UIORMTCPSA-N 402.538 1.239 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC(C)(C)CO 2282325620 HSBUJZBFZIBGLB-UHFFFAOYSA-N 403.375 1.995 30 10 HDEE CC(C)C[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2282337415 LEYUUZZZRAIJSH-GFCCVEGCSA-N 403.331 1.825 30 10 HDEE C[C@@H]1CNCC[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282340901 LGETXXLGPSNGLN-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE C[C@H]1OCCO[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282422595 DFJWQHWPIRBPJB-DGCLKSJQSA-N 403.331 1.130 30 10 HDEE CNC[C@H]1CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282834506 VUKCKENIXOEORI-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)C1(C)CC1 2282837641 WETQECBKXAELTF-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NC[C@H]2CCCCN2)OC1(C)C 2282841410 NYYYTKHTSCTGCB-GFCCVEGCSA-N 401.363 1.004 30 10 HDEE CN([C@H]1CCCCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282850475 PIZQTJDJTJGUMB-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE CN[C@H](C#CC1(OC)CCC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2362705771 UCSYPVOLSJRKPW-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@@H]2[C@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365206613 ZTLPUAPANOLKCF-QHGRHRLRSA-N 400.541 1.147 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367805785 FGZKPGIAKKENQV-DOXZYTNZSA-N 400.541 1.340 30 10 HDEE C=CCC1(N[C@](C)(C(=O)O)[C@@H]2CCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377178433 OIHLHWPPFLCSFZ-DYVFJYSZSA-N 402.513 1.420 30 10 HDEE CC(C)(C)CN(CCC#N)C(=O)C1(S(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 2379881287 BVUJKMKTEGCRHC-UHFFFAOYSA-N 401.529 1.809 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 27903240 GADGUCYYCAQRKP-KRWDZBQOSA-N 413.522 1.060 30 10 HDEE C=CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)OCO2)C1CCN(C(=O)C2CC2)CC1 36211652 SYMJIRJVRKZAPN-IBGZPJMESA-N 413.474 1.465 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 63854354 GELVKSUAVZJGGM-UHFFFAOYSA-N 404.517 1.534 30 10 HDEE C/C(=N/Nc1nc(C)cc(=O)[nH]1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 97991090 AJRQMJKXMZYEKD-XKZIYDEJSA-N 401.448 1.986 30 10 HDEE COc1ccccc1C(=O)/C(=C(/S)NCC(=O)N(C)C)[n+]1cc(O)ccc1C 139907306 NGOFMOJORFJRMI-UHFFFAOYSA-O 402.496 1.613 30 10 HDEE CN(C/C(N)=N/O)C(=O)c1cc(I)ccc1Br 234284485 AAYNNJDVCKCIAA-UHFFFAOYSA-N 412.025 1.872 30 10 HDEE COCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(OC(F)(F)F)cc1 254743097 MPKGIKMGKTVAEM-VXGBXAGGSA-N 424.422 1.833 30 10 HDEE CCOC(=O)c1[nH]c(C)c(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1C 427814226 BRWHCXKOLVIJSU-UHFFFAOYSA-N 417.491 1.586 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CC[C@@H](C(=O)N4CCCCC4)C3)CC2)nc1 438127431 MTXODDQVZZGORT-MOPGFXCFSA-N 410.522 1.966 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N[C@H](CC)C(=O)OC)nnc12 438976829 UJNQKSKYUNZDCJ-CYBMUJFWSA-N 415.475 1.390 30 10 HDEE N#Cc1ccc(OCCNC(=O)[C@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)cc1 461188258 BTZYHYYWPQRDTN-GOSISDBHSA-N 407.426 1.878 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)cn1 461744941 IPDWWCBCJNOTLB-ZOBUZTSGSA-N 411.491 1.803 30 10 HDEE COc1ccccc1N1CC[C@H](NC(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)C1 465014195 RSMXCOYJRSFRGO-IRXDYDNUSA-N 421.505 1.856 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 469438967 QLKXYOUJZMUJEZ-IEBWSBKVSA-N 407.536 1.220 30 10 HDEE CC(C)c1nnc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)o1 473467426 ZSCRPAXKFQWETJ-UHFFFAOYSA-N 417.491 1.530 30 10 HDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)S(=O)(=O)Cc1ccc(C#N)cc1F 481022891 LJJAKRBUDJRSQL-GFCCVEGCSA-N 411.480 1.868 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc(O)nc2ccccc12 482403593 IOXUZMAQGYTXME-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 490336274 KHBNNGSJWJPWKG-UHFFFAOYSA-N 417.472 1.402 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN([C@@H]2CCN(c3ccc(C#N)cc3)C2=O)CC1 507761091 UXXPHZKKSYQZFK-DYESRHJHSA-N 409.534 1.728 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC(COC)(C(=O)OCC)CC1 508463337 GKZJSKHDDDOIEB-UHFFFAOYSA-N 405.499 1.496 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN(C(=O)COC)CC1 508885390 PEGMIGBQWDKUHP-UHFFFAOYSA-N 401.467 1.443 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)CC1 524497470 WHXZQRXECVIPEJ-UHFFFAOYSA-N 422.913 1.283 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(OC)s2)c(=O)n1Cc1ccccc1 531909815 VHIBYBKOUXZVNI-UHFFFAOYSA-N 411.508 1.277 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(-n3cccn3)c2)c1=O 532362415 IALUNVKAXXDOBF-UHFFFAOYSA-N 404.495 1.988 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cn1ccnc1C#N 536554378 IXTMIEOSNDGUHM-UHFFFAOYSA-N 403.464 1.577 30 10 HDEE CC(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)[C@@H](C)C1 539452186 SZMHYCXZBKFWHH-JXFKEZNVSA-N 401.486 1.087 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2cccc(C#N)n2)CC1 544876633 BPCUMJLVCPBLAQ-IBGZPJMESA-N 404.518 1.813 30 10 HDEE N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 549346947 BTDRQMONXSGACT-HNNXBMFYSA-N 410.405 1.432 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2cncc3nc(C)nn23)CC1 549685671 LXOYATAEKMOZRC-UHFFFAOYSA-N 424.513 1.065 30 10 HDEE N#Cc1ccc(N2CCO[C@@]3(CCCOC3)C2)nc1N1CCO[C@]2(CCCOC2)C1 557700787 XHWZOQJRSONNRU-FCHUYYIVSA-N 414.506 1.725 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 565120930 NPTHBAVTRQRQLD-IBGZPJMESA-N 405.520 1.988 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC2(C(=O)O)CCOCC2)cc1Br 573062613 SUIPPYADZNFSKI-UHFFFAOYSA-N 403.254 1.480 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)cc1 574969082 ZOYGWQQULAGCQX-SJORKVTESA-N 418.519 1.134 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1C#N 578791339 BQNYBLZMPXLSRR-UHFFFAOYSA-N 415.431 1.317 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)C[S@@](=O)CC(=O)N(C)CCC#N)c2C#N)C1 586298028 CMQDYSURMOIRCD-BIXPNRAVSA-N 406.533 1.804 30 10 HDEE CCc1nc(CN2CCN(C(=O)C(=O)NCc3ccc(C#N)cc3F)CC2)cs1 586862317 RYCRRNBIVRSSLD-UHFFFAOYSA-N 415.494 1.677 30 10 HDEE CN(C)CC(C)(C)Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccccn2)c1=O 589161016 KCAQNRLUEABLIH-UHFFFAOYSA-N 424.570 1.765 30 10 HDEE COc1ccc(OC)c([C@H](C)NCC(=O)N2CCN(c3oc(C)nc3C#N)CC2)c1 603629249 GBHGANNCSZRCNG-AWEZNQCLSA-N 413.478 1.871 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2C)c(=O)n1-c1ccccc1C#N 604001763 RABNGDMRYNMYCA-UHFFFAOYSA-N 414.490 1.637 30 10 HDEE COc1ccc(-c2n[nH]c(CNC(=O)N3CCN(c4ncccc4C#N)CC3)n2)cc1 610164109 UCGVNHWKCRNKEC-UHFFFAOYSA-N 418.461 1.779 30 10 HDEE CN1C(=O)N[C@@]2(CCC[C@H]2CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1=O 610596474 DVLVKPNUZRSYKE-PGRDOPGGSA-N 424.505 1.106 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCOC[C@H]2C(F)(F)F)CC1 611432647 DMCZYMUWQZBLRA-ZFWWWQNUSA-N 402.442 1.720 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 704533524 HZMGERAWSIVSIB-MRXNPFEDSA-N 402.358 1.631 30 10 HDEE COc1nscc1S(=O)(=O)NCc1sccc1B1OC(C)(C)C(C)(C)O1 714385224 PAWGAAAPHMSZEF-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N(CCCCC(=O)OC)C1=O 726401156 NPBGKZHUGLDACQ-CQSZACIVSA-N 420.491 1.196 30 10 HDEE C#CCN(CC(=O)Nc1ccccc1SC[C@H](C)C#N)[C@@H]1CCS(=O)(=O)C1 731213812 UBAZWZBNSAXMJQ-HZPDHXFCSA-N 405.545 1.999 30 10 HDEE CN(C[C@H]1CCN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1)C(=O)OC(C)(C)C 732468159 DWMBCSMOHGSQKK-UPTRSRDDSA-N 421.498 1.411 30 10 HDEE CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(C(F)(F)F)c1 732706314 MNJHDUYJMYMIGN-AWEZNQCLSA-N 423.395 1.801 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CCCCN1C(=O)c1ccco1 734292235 HBZIUDIBZJXCIO-OAHLLOKOSA-N 401.444 1.960 30 10 HDEE C#CCn1c(=C(C#N)C(=O)c2ccccc2OC)sc(=Cc2cccs2)c1=O 758050214 PGVPTLTULZNWAU-UHFFFAOYSA-N 406.488 1.999 30 10 HDEE C#CCOc1ccc(COC(=O)c2cnc3c(c2CC)c(=O)n(C)c(=O)n3C)cc1 765132886 WKRLHCYLCLTKEJ-UHFFFAOYSA-N 407.426 1.564 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(O)nc(N(C)C)n2)cc1 766001806 SOOZUHHSPXEAPN-JCMHNJIXSA-N 418.479 1.313 30 10 HDEE COc1cccc(COC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1OC 766282149 NBEONYRKXSPFPA-ZDUSSCGKSA-N 404.444 1.986 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NCCC)sc(=Cc2c(C)cc(OC)nc2C)c1=O 781647957 BFDFVXLDUZMERK-UHFFFAOYSA-N 412.515 1.146 30 10 HDEE C=CCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc(OCC(=O)OC)cc1 789970030 KUTDFTXFRYGKFL-UHFFFAOYSA-N 412.475 1.866 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)Oc2ccc3c(c2)n(C)c(=O)n3C)cc1 794157383 HENLGCYPGIQZIV-UHFFFAOYSA-N 401.444 1.561 30 10 HDEE N#CC(C(=O)[C@@H]1CCCOC1)=c1sc(=Cc2cnn3ccccc23)c(=O)n1C1CC1 794607614 AZRGMNLPFMFAHO-CQSZACIVSA-N 420.494 1.391 30 10 HDEE C=CCN(Cc1cc(Br)ccc1F)C(=O)C(=O)NCC[S@@](=O)CC 805606086 SRKCZDBGIMNPGS-DEOSSOPVSA-N 419.316 1.988 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C(=O)CC#N)CC2)Cc2ccccc2C1 807923189 NOPJPAJTIMARKB-UHFFFAOYSA-N 412.490 1.633 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNCc1cn(-c2ccccc2Br)nn1 810144804 HZKDVABOXDAIDD-MSUUIHNZSA-N 417.267 1.646 30 10 HDEE CC(C)(NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1cc(C(F)(F)F)on1 817041010 HCSSWTBVCIOKPG-UHFFFAOYSA-N 416.381 1.783 30 10 HDEE COc1ccccc1[C@H](O)CNC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 920448693 YXLOCYRIBZRSOG-MRXNPFEDSA-N 417.487 1.364 30 10 HDEE C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1124510586 PIWCSXSHULVHQI-UHFFFAOYSA-N 424.442 1.266 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F 1128694108 PKBLWUIAFUMYRZ-UONOGXRCSA-N 422.448 1.953 30 10 HDEE N#C[C@]1(C(=O)NCC2(N3CCN(c4ccccc4)CC3)CCOCC2)CCCOC1 1129050672 RQRFKEYRKBOJRH-JOCHJYFZSA-N 412.534 1.794 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(N)cc1F 1136149800 ZLEALSRGSGDGLX-UHFFFAOYSA-N 402.451 1.735 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CN(C(=O)OC(C)(C)C)C1 1147838841 CKJFQFSOCKLQHD-HUUCEWRRSA-N 415.556 1.776 30 10 HDEE Cc1ccc(CN2CCO[C@@H](CNC(=O)CNC(=O)c3ccc(C#N)cc3)C2)cc1 1152007178 JBJFZDLYZYIYTO-NRFANRHFSA-N 406.486 1.614 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](F)c2ccc(C(F)(F)F)cc2)CC1 1152967530 KLWCLYIWPZBRBV-AWEZNQCLSA-N 407.389 1.328 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCCS(=O)(=O)C[C@@H]1c1ccccc1 1157446904 RRUJNCRJSOMASV-ZBBYCGENSA-N 417.487 1.291 30 10 HDEE C#CC[C@H](CCOC)NC(=O)[C@@H]1[C@H](C(=O)OC)[C@@H]2CC[C@@H]1N2C(=O)OC(C)(C)C 1161707300 YWYUYSQJNBHLKK-JSRQGNBESA-N 408.495 1.718 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[C@@H](C(F)(F)F)O1 1161769903 YUYVUVPGABRCFR-FZMZJTMJSA-N 405.398 1.405 30 10 HDEE COC(=O)C[C@](C)(NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1174656138 KPDSZJARMHJJFF-BUXKBTBVSA-N 407.492 1.352 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Br)c(C)c2F)CC1 1175515120 SCGAMDPDICXGSM-UHFFFAOYSA-N 418.288 1.122 30 10 HDEE C#CCN1CCC(NC(=O)c2cn(CCCCNC(=O)OC(C)(C)C)nn2)CC1 1178207199 GAWHGIWKFIXZPJ-UHFFFAOYSA-N 404.515 1.410 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)OCC)c(F)c2)CC1 1215520859 LTDHDKQRBLAKDP-CQSZACIVSA-N 419.453 1.889 30 10 HDEE C#C[C@@H](NC(=O)N1CC[C@@]2(CN(Cc3ccccc3)C(=O)CO2)C1)C1CCOCC1 1231333686 ZLHJEQPVNXLELX-OFNKIYASSA-N 411.502 1.628 30 10 HDEE CCOc1ccccc1S(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1254140548 URSXCNOTLVHIEZ-OAHLLOKOSA-N 413.455 1.815 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(C)CCO[C@H]1C1CC1 1286274225 MXXSIEYNOBSFPM-PWDMQXDWSA-N 409.556 1.551 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1[C@@H]1C[C@H]1CF)[C@H]1CCS(=O)(=O)C1 1286392815 OCUJXTRQVYTAAQ-YESZJQIVSA-N 403.483 1.421 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCCS1(=O)=O 1286462575 NHAUDJZZCIHBFM-KRWDZBQOSA-N 417.535 1.702 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2ccc(OCCCN(C)C)cc2)CC1 1286479001 NULQHZJLXMNRAC-UHFFFAOYSA-N 410.566 1.975 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)Oc2cccc(C)c2)CC1 1286479086 JYWUJMOQIHSKRB-QUCCMNQESA-N 422.533 1.760 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286568508 ZWYVIYONEWYZTP-LQBOVUBWSA-N 410.522 1.947 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1286638550 FJDMUYYANORPRN-XLIONFOSSA-N 424.567 1.911 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NC[C@@H]2CC[C@@]3(CO[C@H](C)C3)O2)ccc1F 1288947638 PRLFATDWCPCDMW-FRIZHTMISA-N 412.483 1.746 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCCS(=O)(=O)C1 1291993099 DQBGNRMJWNEESK-HUUCEWRRSA-N 424.571 1.617 30 10 HDEE CCc1nnc(N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)n1Cc1ccc(C#N)o1 1292892607 IUUKLUPMLSSOQL-CABCVRRESA-N 400.483 1.721 30 10 HDEE Cc1nc(NC(=O)c2cc(C)n(-c3ccc(C#N)cc3)c2C)c(C(=O)NCCO)n1C 1297488873 CQPCKELVRVSZDC-UHFFFAOYSA-N 420.473 1.982 30 10 HDEE Cc1ccc(C(=O)/C=C\C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1 1299264261 AONHHDDWUDCBCG-ZBTGYSDGSA-N 407.488 1.701 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1C[C@@]1(N2CCOCC2)CCSC1 1300309788 VKIDTBJZOHSIIE-QKLQHJQFSA-N 405.568 1.448 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300467223 DXAGKTIAGKELAD-MRXNPFEDSA-N 408.428 1.596 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Br)cc2)n1CCC(=O)NC 1300656928 QFBBOKVURLAJQI-UHFFFAOYSA-N 420.311 1.930 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1300725825 DSFOATRGDGNGIN-UTKZUKDTSA-N 401.511 1.144 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCOC2)CC1 1300727472 YJBAFLWLPOVODA-WMZOPIPTSA-N 401.511 1.174 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N(C)CC(=O)NC(C)C 1300890227 GBMDGMSIMUVUHJ-OXQOHEQNSA-N 418.542 1.343 30 10 HDEE C=CCN(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1301303199 XJXJKMLGVLJVLN-LJQANCHMSA-N 411.554 1.829 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(O)CCCC2)C1 1301556432 HMYSLTGBCNRFAW-CVEARBPZSA-N 410.540 1.267 30 10 HDEE COCCOC[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1302195078 LAZSZXMADZHYDD-KRWDZBQOSA-N 422.493 1.483 30 10 HDEE C#CCN1CCC(NC(=O)c2cn(CCOc3ccc(C=O)cc3Cl)nn2)CC1 1303791977 DQQONUMJXHZIBY-UHFFFAOYSA-N 415.881 1.650 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1303792943 RKBPYFGBXSTHHV-NQIIRXRSSA-N 401.507 1.930 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1ccc(Cl)s1)C2 1304489253 BCVAGAMCUXTRIN-UHFFFAOYSA-N 416.937 1.780 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC23CN(C(=O)OC(C)(C)C)C3)cc1 1305766236 CUILWPFCEDXZHH-UHFFFAOYSA-N 419.503 1.434 30 10 HDEE COc1cccc([C@H](CNC(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)OC)c1 1313062447 HWAJJNXAUOGOOD-BEFAXECRSA-N 410.478 1.965 30 10 HDEE COCc1nocc1Cn1c(CCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1315876182 ZAPDIVYUUDHCFT-GOSISDBHSA-N 408.462 1.975 30 10 HDEE N#C[C@@]1(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)CCCOC1 1352907724 XCIDHBZFVIFUOX-FQEVSTJZSA-N 403.504 1.329 30 10 HDEE COC(=O)c1cccn(CC(=O)Oc2c(Br)cc(C#N)cc2OC)c1=O 1355752880 ZESXRCWWLGDFHS-UHFFFAOYSA-N 421.203 1.883 30 10 HDEE C#CCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCC(C(=O)NC)CC1 1358932467 LKKTVLQXCREHDG-UHFFFAOYSA-N 405.506 1.892 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(Cn2ccnc2)c1 1358948729 JPHBVJMCMYFRJN-LJQANCHMSA-N 424.530 1.543 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCCC(=O)NC1CC1)[C@H]1CCS(=O)(=O)C1 1358961764 DWTKKSGNTMFREM-KRWDZBQOSA-N 419.551 1.231 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1F 1358985103 PIYGKGRVDBMRKJ-MRXNPFEDSA-N 417.510 1.847 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1359203123 IPBQZYDTYCLBKS-GOSISDBHSA-N 423.583 1.889 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1359270693 ZDSCKVKZZVUCFQ-OAHLLOKOSA-N 405.528 1.139 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(S(C)(=O)=O)CC2)C1 1359319929 JAYFPKDOMPNSSA-HOTGVXAUSA-N 410.540 1.878 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@]1(O)CCS(=O)(=O)C1 1359469842 LRGZERJHPADRTJ-SJKOYZFVSA-N 424.914 1.139 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1CCC2(C1)OCCO2 1360206617 BVEIQPWSYFUQKC-KDOFPFPSSA-N 406.462 1.401 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)c3nc(S(N)(=O)=O)c4ccccn34)CCO2)c1 1447221883 POLAMRNWZJTWPE-MRXNPFEDSA-N 411.443 1.067 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@@]4(CCCOC4)C3)CC2=O)cc1Cl 1449329364 QGSLNQSPXSLMLS-YWZLYKJASA-N 403.866 1.973 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@@H]2c2ccc(COC)o2)cc1 1456025438 OBNAVSQXCWLUCH-GOSISDBHSA-N 418.471 1.551 30 10 HDEE C[C@]1(c2ccc(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2)NC(=O)NC1=O 1456477915 RPJIPGDPNPNIIU-PGRDOPGGSA-N 404.426 1.827 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 1462320660 AVFTWNONJYJDDI-ZDUSSCGKSA-N 407.477 1.834 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2c(Br)nc3n2CCOC3)CC1 1463850038 BNROHYBVTFROPC-UHFFFAOYSA-N 417.267 1.405 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1cc2c(cc1Br)OCCO2 1464145910 KCUNKZYGJMYRFS-UHFFFAOYSA-N 404.282 1.881 30 10 HDEE Cc1nc(CN2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1464843008 HHCUZQSBRMYZKX-OAHLLOKOSA-N 406.487 1.609 30 10 HDEE CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCCN/C(O)=C1/N=CC=CC1=O)CC2 1464923349 INRQNDJRQUJBOS-NXVVXOECSA-N 404.467 1.561 30 10 HDEE Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC3)c1 1464923411 JBKQQLJIWMGTTG-QKDOTCOFSA-N 420.473 1.459 30 10 HDEE Cc1cc(F)c(Br)cc1NC(=O)NCCn1cc(C#N)c(O)nc1=O 1466395179 CENHGVCZEFUZHO-UHFFFAOYSA-N 410.203 1.852 30 10 HDEE N#Cc1c[nH]c2cc(C(=O)N3CCC(C(=O)N4CCC(C(N)=O)CC4)CC3)ccc12 1472490087 ANIDHBIFFZGORW-UHFFFAOYSA-N 407.474 1.616 30 10 HDEE C=CCC1(NC(=O)Nc2ccc(C(=O)OC)cc2OCC(=O)NC)CCOCC1 1476971272 OBPUXPAUQCJOAO-UHFFFAOYSA-N 405.451 1.845 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCO[C@H]2CCOC2)n1 1492754308 WMUKWMOUQHAFQL-ROUUACIJSA-N 415.498 1.064 30 10 HDEE Cc1nnc(N(Cc2ccc(C#N)cc2)C2CC2)n1CCN1CCCS1(=O)=O 1492787833 DGNMYNLXVAPHOF-UHFFFAOYSA-N 400.508 1.663 30 10 HDEE CCCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@H](C#N)C1 1501201248 CVBRLUAVNFIFLT-MRXNPFEDSA-N 421.461 1.855 30 10 HDEE CO[C@@H](CCn1c(C(=O)NC(C)C)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1503953218 NEUMEHJBEFHBOH-NHYWBVRUSA-N 406.384 1.826 30 10 HDEE COCCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1504814316 WIOPGBCCGAIHFM-IERDGZPVSA-N 415.494 1.741 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)O 1504887324 BNBSOPVPLRKNBB-QGZVFWFLSA-N 401.467 1.928 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CS(C)(=O)=O)cc1 1507605848 VWRNCATVTDRQCY-UHFFFAOYSA-N 403.508 1.079 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCNC(=O)C2CC2)CC1 1507725215 RJRMMAGZTZUSAL-UHFFFAOYSA-N 408.506 1.235 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1507740692 DDADQLXIWLHJLC-INIZCTEOSA-N 413.551 1.608 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(COc2ccc(C)cc2)n1CCNS(C)(=O)=O 1507770070 PRRCSFGGPLZXKY-HXUWFJFHSA-N 417.535 1.707 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1COCCO1 1507817161 QNSZWZXPWJDERZ-GOSISDBHSA-N 410.482 1.739 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCC)C1 1507844397 JITYZFNIHMSOEU-IAGOWNOFSA-N 412.556 1.636 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1507931035 PIDQAMMFCNBADA-UHFFFAOYSA-N 407.482 1.678 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCN(c2ccccc2)CC1 1507981455 IWPJXLBWXTZGDK-SFHVURJKSA-N 423.521 1.200 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCOC1 1508000392 ADHOPXLUINPOAD-JOCHJYFZSA-N 411.506 1.858 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1508840994 FQJNAZURHPZHFQ-LJQANCHMSA-N 403.508 1.459 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)n1Cc1ccc(C#N)o1 1509585268 RGQHGTGWKSIXCH-CHWSQXEVSA-N 422.511 1.187 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OC 1519160804 DGWAZHCNTIHXNQ-UHFFFAOYSA-N 412.494 1.937 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 1532303919 BCJTWQDMQCPKOF-OAHLLOKOSA-N 401.554 1.866 30 10 HDEE COCCCn1cc(C)c(NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)n1 1533484472 LLBMQZAOHNTLEG-QGZVFWFLSA-N 424.461 1.943 30 10 HDEE CCOc1nc(C(F)(F)F)ccc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1539117649 BEVBNQMGOGVWKV-ZUZCIYMTSA-N 403.382 1.509 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)c1ccccc1 1539200882 RFUIZKHXZUGGQO-WMZOPIPTSA-N 418.519 1.545 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCOC(F)F)[C@H]1CCS(=O)(=O)C1 1539204096 YPVUARXBKMDZPI-ZDUSSCGKSA-N 404.483 1.832 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CC(=O)NCC2CC2)CC1 1539466994 LEHJGZXOWOWDJL-UHFFFAOYSA-N 400.527 1.068 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1 1539668772 FJUHLXCSWRLRHM-HNNXBMFYSA-N 407.544 1.344 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1539744256 GVXLGJCNMZAFRJ-ZNMIVQPWSA-N 413.544 1.080 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)CC1 1539874421 MKUZIKNLPQMXKI-AWEZNQCLSA-N 420.539 1.743 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(O)CCN(C)C1 1541364076 XQJFFKKPIBLBQD-OAQYLSRUSA-N 410.526 1.061 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1Cc1ccc(C#N)o1 1541636474 IFHCZSWWYRXNLO-UHFFFAOYSA-N 401.471 1.280 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC)C(=O)N1CCOCC1 1545202297 VWGZWRUNDIZDGP-UONOGXRCSA-N 403.907 1.776 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2ccccn2)n1CCCn1cnnn1 1554150020 DNENCMGGVSQJLU-UHFFFAOYSA-N 400.450 1.925 30 10 HDEE CNC(=O)CCN(C)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C#N)o1 1554479755 WINOYVRXPASZPF-UHFFFAOYSA-N 424.461 1.951 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C#N)C2)cs1 1554586071 AFDPJWSNYGQNIA-VNHYZAJKSA-N 404.496 1.723 30 10 HDEE COc1ccc(-c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCNC(C)=O)cc1 1554866966 HDWHOJCTGMMMHN-LJQANCHMSA-N 423.521 1.656 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](Cc3ccccc3)C2)cc1 1557865902 OXDYDPHNGSOCAN-IBGZPJMESA-N 412.515 1.535 30 10 HDEE COC(=O)C[C@](C)(NCC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C1CC1 1560083891 CGDSFFASAWVPDF-UZLBHIALSA-N 404.536 1.778 30 10 HDEE COc1ccc(Br)c([C@H](CO)N(C)S(=O)(=O)N(C)[C@@H](C)CC#N)c1 1561583374 HQCRBCHUKYJZPO-NHYWBVRUSA-N 420.329 1.902 30 10 HDEE N#C[C@H](NC(=O)CCN1C(=O)CCNC1=S)c1ccc(OC(F)(F)F)cc1 1566180792 BALDIDLUXOKAQW-LBPRGKRZSA-N 400.382 1.763 30 10 HDEE CCOC(=O)[C@@H](C)CNC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1566190320 SRVHQPLCASALKA-AWEZNQCLSA-N 409.508 1.601 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[C@@]12NC(=O)N(C)C2=O 1566209835 OZFHLJDSIUOOFT-LAPQFRIASA-N 406.483 1.130 30 10 HDEE C=CCOc1ccc(CNC(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)cc1 1568808986 BFVKBHXTRPKICH-DYVFJYSZSA-N 410.517 1.657 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)c2)CC1 1583218598 JYWHHSRSZVKFIX-FTRWYGJKSA-N 402.520 1.891 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)c2n[nH]cc2I)CC1 1584481935 GEESPPVJFJUVMN-UHFFFAOYSA-N 413.244 1.910 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1586185250 VBCNMEHLAYQXAF-KFWWJZLASA-N 400.504 1.832 30 10 HDEE Cc1ccc(C(=O)N2CCO[C@](C)(C(F)(F)F)C2)cc1S(=O)(=O)NCC#N 1587657677 KYGMDNXTEYUMJV-HNNXBMFYSA-N 405.398 1.590 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@@]1(O)CCS(=O)(=O)C1 1588016478 QFTUAHAYRLDBFW-FQEVSTJZSA-N 418.519 1.039 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1588025408 YUPSLYSKFSIOTR-HUUCEWRRSA-N 401.433 1.852 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(COC)CCCCC1 1588140395 WKUKUDZWWZVQPQ-SFHVURJKSA-N 418.563 1.850 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCNC(=O)OC(C)(C)C 1588245861 SWXKBGWYUIEQOE-UHFFFAOYSA-N 414.510 1.388 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1589006274 CRETVZFPECDDMY-KRWDZBQOSA-N 410.503 1.134 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(c2cnccn2)CC1 1589571114 XTEJWVDPAQMSAN-XLIONFOSSA-N 413.526 1.912 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1593624856 BEKWLPFKPDWFMJ-HNNXBMFYSA-N 410.544 1.056 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H](O)Cc2ccccc2F)s1 1596272372 FYYKOAYLNUPODL-AWEZNQCLSA-N 412.508 1.614 30 10 HDEE Cc1nc(O)nc(S)c1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1596358544 FFWFDRNWPNAGDM-BKUYFWCQSA-N 421.504 1.844 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC(=O)NCC(=O)N(C)Cc1ccccc1 1597491443 WVABTTANMFYGHZ-MRXNPFEDSA-N 408.458 1.217 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)c2cccc(CC#N)c2)C1 1611547139 XWUFVVMMDPFTCC-QGZVFWFLSA-N 421.519 1.907 30 10 HDEE C=C1CC[C@@H]2[C@](C)(COC(=O)C(=O)O)[C@H](O)CC[C@]2(C)[C@@H]1C/C=C1\C(=O)OC[C@H]1O 1615811942 LBWGMBCRIXRVEF-OTNSWPBXSA-N 422.474 1.598 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H]2CCOC2)C1=O 1618464830 XLRMSGQBNUBXIN-IERDGZPVSA-N 410.478 1.432 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2CCCOC(F)F)cc1 1620351589 BUJCKYLCVVXWRC-UHFFFAOYSA-N 420.420 1.684 30 10 HDEE C#CCCN(CCOC)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 1620448603 NVRDOOWVFWONOQ-UHFFFAOYSA-N 401.916 1.501 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCc2nnc3n2CCCCC3)c1 1623903855 LDUZMVOAYRCFNO-UHFFFAOYSA-N 400.504 1.774 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)c2cc(-c3cccc(C#N)c3)no2)cn1 1624069378 JDEJIPUZVHPETK-KRWDZBQOSA-N 404.430 1.981 30 10 HDEE Cc1ccc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1625668784 SFXFJFOVPSCSSP-OAHLLOKOSA-N 401.316 1.815 30 10 HDEE C=CCN(C(=O)[C@H](CCN(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1626455932 AKYRMEBGKQRQDP-CABCVRRESA-N 403.545 1.033 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCC(N2CCCOC2=O)CC1 1626958475 KHLANYJVCQDTIZ-UHFFFAOYSA-N 410.478 1.984 30 10 HDEE Cc1nnc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)CC2)c(C(N)=O)c1C 1627403606 BINLNHXSFIRVGC-ZWKOTPCHSA-N 404.474 1.516 30 10 HDEE C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)/C=C/c3ccc(F)cc3)cn2)C[C@@H](C)O1 1629142990 OZOCXDQRAVGAQD-VZLFFANISA-N 414.437 1.879 30 10 HDEE CN(C)CCCOC1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1629456261 AIQGGAUCPBOUKZ-UHFFFAOYSA-N 411.499 1.696 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCc2nc(O)c3c(n2)CCOC3)CC1 1632808780 QTYFBUVSOPBGCK-UHFFFAOYSA-N 416.478 1.522 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)CC3(C#N)CCOCC3)C2=O)c(OC)c1 1634970911 DJZUIIDBWHOMKP-KRWDZBQOSA-N 401.463 1.631 30 10 HDEE O=C1C=COC2(CCN(C(=O)[C@@H]3C[C@@H](O)CN3C(=O)OCc3ccccc3)CC2)C1 1636303977 DURARPWUYOLWFL-MOPGFXCFSA-N 414.458 1.623 30 10 HDEE O=C(CC[C@H](NC(=O)OCc1ccccc1)C(F)(F)F)N[C@H]1CCN(O)C1=O 1637465218 NOMKCTHILHOGMU-STQMWFEESA-N 403.357 1.730 30 10 HDEE COC(=O)[C@@H](NC(=O)CCn1cc(C#N)c(O)nc1=O)c1cccc2ccccc12 1638411196 BDTVVQFZSRQSLO-SFHVURJKSA-N 406.398 1.394 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CN(Cc2ccccc2)C[C@@]12CCOC2)C(=O)OC 1639559384 ZJISJHSREVMZHL-CNNODRBYSA-N 402.491 1.386 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1C[C@H](c2ccccc2)CO1 1640591073 QYEOMKKQZPXOOW-SNRMKQJTSA-N 413.499 1.914 30 10 HDEE C[C@@H]1CC[C@H](NC(=O)COc2cccc(Br)c2C#N)CS1(=O)=O 1640931623 GVYVEJUUXQWHDB-MNOVXSKESA-N 401.282 1.781 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@H](C)N1C(=O)c1cc2ccccc2n1CC#N 1642211097 DKTDMJYTNMYCQA-CXAGYDPISA-N 414.487 1.748 30 10 HDEE CN(CCOc1ccc(S(N)(=O)=O)cc1F)CCC(=O)Nc1cccc(C#N)c1 1643388914 AXZKOJPCRONKLU-UHFFFAOYSA-N 420.466 1.684 30 10 HDEE CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc2ccccc21 1645267291 BWTHJPLIUFUFKE-UGSOOPFHSA-N 404.517 1.545 30 10 HDEE C#CCN1CCC(NC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)CC1 1645780950 AQODOXZTJXKYER-UHFFFAOYSA-N 415.538 1.823 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F 1646016451 FTWQQMPJLBONJN-GOSISDBHSA-N 410.449 1.809 30 10 HDEE C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](O)CO)c1 1646228199 SALLTJQUIOGRNQ-QGZVFWFLSA-N 424.906 1.804 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@@H]1CCn2cncc21 1647819758 KNWXZIYFAQMSDS-CABCVRRESA-N 401.492 1.742 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3C[C@H](N4CCCC4)C[C@@H]3C(C)C)CC2)o1 1648594221 LOEOQIXSZBVEEQ-UYAOXDASSA-N 414.554 1.698 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)CCCn2cnc3c(N)ncnc32)CC1 1648939805 AALMZCFQIYWKJX-UHFFFAOYSA-N 408.441 1.548 30 10 HDEE C[C@@H]1COCCN1CCn1c(CCCc2ccccc2)nnc1N1CCO[C@@H](C#N)C1 1649561259 ALNICHDNDNVNLE-CTNGQTDRSA-N 424.549 1.903 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)CN2C[C@H](C)N(CC(F)(F)F)[C@H](C)C2)CC1 1656396632 FFTBLLBZFNMQFK-IXDOHACOSA-N 403.493 1.636 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@](CO)(NC[C@H](O)COc2ccc(CC#N)cc2)C1 1660169708 AGPIZSRKPSPSRJ-AVRDEDQJSA-N 419.522 1.844 30 10 HDEE Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCN(c4ccsc4C#N)CC3)ccc21 1663098096 AXZFCGPYDMDGGV-UHFFFAOYSA-N 417.516 1.321 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)N(C)CCC(=O)OC 1665507908 ZVTGYEJZXCMPAJ-UHFFFAOYSA-N 417.528 1.061 30 10 HDEE COC(=O)N1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1666570094 BHOLJEPGJLFZPU-UHFFFAOYSA-N 406.233 1.533 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)C2=Cc3cc(Cl)ccc3OC2)CC1 1667521108 IJLWDTCZQBPAPQ-UHFFFAOYSA-N 423.922 1.160 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 1678779685 RUBBUHXTLMZEFL-JOCHJYFZSA-N 419.441 1.825 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 1681129989 INDQQVIQEAEBOR-HBMCJLEFSA-N 410.518 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cc1 1689853563 VYAZRIHUROCNHG-PBHICJAKSA-N 421.498 1.256 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(c2nccc(OC)n2)CC1 1689885757 UUXSRTCPPADPIH-UHFFFAOYSA-N 419.493 1.664 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1690019317 FQSFMMNXEHKIEH-QGZVFWFLSA-N 419.551 1.286 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCCC1 1690020130 ZFQXKIHLUKMOAY-OALUTQOASA-N 417.579 1.375 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OCC)CCOC2)n1CC1([S@](C)=O)CCC1 1690034750 QKIHALFCQJTQRM-LGGPFLRQSA-N 418.563 1.694 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc3cccnc23)n1C[C@H]1COCCO1 1690098379 GFQOHFVOGXHERH-SFHVURJKSA-N 407.474 1.995 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cccc(C(=O)N(C)C)c1 1690104235 QLKPAJOREZZNEH-IBGZPJMESA-N 411.506 1.618 30 10 HDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCC(C(=O)NCCOC)CC1 1690348866 DPSMJHJFMKYDSZ-UHFFFAOYSA-N 418.929 1.995 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(CC)C2)CC1 1690411988 ZLPWFLHWCJWLOG-ZWKOTPCHSA-N 407.584 1.924 30 10 HDEE CC[C@@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCS(=O)(=O)CC 1694257033 CHBGTZWTWXYMGU-MSOLQXFVSA-N 417.535 1.983 30 10 HDEE CCN(C)C(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1695495102 BLGDIZFFIHJIOU-LSDHHAIUSA-N 416.457 1.764 30 10 HDEE CCN(c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O)C1CC1 1695562733 WQYXEUDFLFAPGL-VXPUYCOJSA-N 407.478 1.779 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCN2CCCCCC2)C1 1698485993 FYGNFRNBOKMUJD-HXUWFJFHSA-N 403.506 1.718 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1([S@](C)=O)CCC1 1705474115 CMPWISNKKJTEMK-SUMNFNSASA-N 400.508 1.685 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(OC)cc(OC)c2)n1C[C@@H](C)N1CCOCC1 1705575280 FIJYXWINDOLIHF-GOSISDBHSA-N 423.517 1.756 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCCCO1 1705626681 FIGBONFEQODPDW-OAHLLOKOSA-N 401.467 1.661 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCc2cccc(C)n2)CC1 1705631599 JSSIERPPNGQBEQ-UHFFFAOYSA-N 407.522 1.215 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](CC)OC)CC1 1705642500 WCBYECXGCLQEJL-MRXNPFEDSA-N 416.551 1.450 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1705824191 IXVKQYUBACNVNP-BBWFWOEESA-N 412.556 1.982 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(C#N)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705872764 KBNPABLUYZLUOS-FQEVSTJZSA-N 413.503 1.545 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC(Cn2cncn2)CC1 1705899688 CSVUDEOHLYPQSI-UHFFFAOYSA-N 409.498 1.094 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705943787 KOEAZVRPCGAWIC-GJZGRUSLSA-N 419.555 1.189 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1 1706643903 IOJSJZRXMUSKFV-GOSISDBHSA-N 419.493 1.774 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCN2CCOCC2)o1 1707386615 NEZHODFZRONHRJ-KRWDZBQOSA-N 400.483 1.688 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@@H](C)CC#N)n2CC2CCS(=O)(=O)CC2)n1 1707812011 FOISNGZBRRHROB-HNNXBMFYSA-N 419.555 1.703 30 10 HDEE CNC(=O)c1cccc(Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)c1 1711331860 RLVAYUNOKQIBGX-UHFFFAOYSA-N 403.446 1.529 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1occc1C 1722293711 DUYHCUDKPDWQFL-GDBMZVCRSA-N 407.496 1.019 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1722362312 SSZZBNXYYLLCLW-OAHLLOKOSA-N 400.508 1.552 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCO[C@@H](C)C2)CC1 1722432551 AYHUIMYJRHNOSY-IPJJNNNSSA-N 417.554 1.501 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2CC[C@@H](F)C2)CC1 1722441120 LRLBPPYSLBIHHK-HCXYKTFWSA-N 405.518 1.896 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)c2ccco2)CC1 1722443846 CHDQBGOOFIOGDB-UHFFFAOYSA-N 412.494 1.390 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722463148 VBSCZVMRPHCPQB-OAQYLSRUSA-N 423.546 1.585 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]2OCCC[C@@H]2C1 1722702913 SZNNGZTUCBHASE-QZTJIDSGSA-N 413.526 1.447 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCC=CO2)C1 1722718272 ICDFLUWGLLLYFW-GVDBMIGSSA-N 408.524 1.654 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@H]1C 1722726922 GZONVWBSVPIFFL-ZDUSSCGKSA-N 407.496 1.595 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1723773964 JJVOYPZMPPJYNI-STGLLQLASA-N 406.450 1.605 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCc1nccnc1C 1730299121 FFXVNXFUDCAKAW-GOSISDBHSA-N 419.489 1.947 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C1CCCCC1)N(C)C 1740600211 IZVVXSNEBPGQDC-DOTOQJQBSA-N 410.588 1.468 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1C[C@@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1740622860 JWIMGVVSEPOCKM-LSDHHAIUSA-N 400.508 1.408 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740628538 YPVWBPAIHFRRHJ-GOSISDBHSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(C)C)n1CCc1ccc(NC(C)=O)cc1 1740629385 LWHOEELQOJXCHN-UHFFFAOYSA-N 406.490 1.690 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1740668380 LNWXFGCYKHRDTA-AWEZNQCLSA-N 404.421 1.776 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc4c(c3)OCCO4)n2CCCCOC)CC1 1740692994 RPSQPIZGIOATLZ-UHFFFAOYSA-N 411.506 1.898 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCCCN2CC)CC1 1740698954 RJMNPNHMDOVISR-LJQANCHMSA-N 413.570 1.030 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2Cc2ccc(NC(C)=O)nc2)CC1 1740705655 KTJOCRJQEWBQIW-UHFFFAOYSA-N 421.505 1.523 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 1740772762 MIKDORPICPXLOK-KRWDZBQOSA-N 412.494 1.544 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@H](COC)C1 1740954498 ANMRSXNEBRDVFU-YJBOKZPZSA-N 410.478 1.359 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@@H]1CC 1740959347 SJGKRTNZGVCYGH-ZFWWWQNUSA-N 400.483 1.933 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1CCC[C@H](OC)C1 1740965107 ZQXGOZPWOACKNV-INIZCTEOSA-N 415.494 1.783 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 1740986958 LSSLWCXDXNFRCH-UHFFFAOYSA-N 419.551 1.660 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCOCC2(CC2)C1 1740992579 JPUGQULSADJLFJ-UHFFFAOYSA-N 417.535 1.482 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@]1(C)COCCO1 1741371313 YAFQPVVTJYBXLN-NRFANRHFSA-N 411.510 1.800 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1(O)CCOCC1 1741468122 KAEZEEBUDUNIJS-UHFFFAOYSA-N 412.494 1.553 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1Cc1ccc(O)cc1 1741930475 GHFZXDLIAPBTFX-IFXJQAMLSA-N 418.523 1.772 30 10 HDEE CCC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCCn2cnnn2)CCO1 1745335127 AMAIQBUMIKXAAN-SFHVURJKSA-N 407.482 1.899 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C#N)o1 1747860403 OJJQMSBUOARGIX-AWEZNQCLSA-N 407.434 1.911 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1748656852 ZYGZDQBNHOTRIZ-DLBZAZTESA-N 411.506 1.907 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C(CC)CC)N(C)C)CC1 1748990578 YSHHJYKRLSLOSL-VQTJNVASSA-N 402.587 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2(C(=O)N(C)C)CCCC2)CC1 1749014385 HUUFBCJVLGPRSG-UHFFFAOYSA-N 414.554 1.455 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 1749689688 JAAOYHJROGKZTB-JKSUJKDBSA-N 410.478 1.154 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H]1NC(=O)CC1(C)C 1760175986 WQLKLAFHBOYAMG-QGZVFWFLSA-N 422.537 1.436 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(CCOCC)CC1)[C@H]1CCS(=O)(=O)C1 1760187304 CONBLPKGXAUUGS-KRWDZBQOSA-N 406.552 1.989 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O 1760241867 MZMNOTKBQYNVAU-INIZCTEOSA-N 421.498 1.110 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](C)CN2CCCC2)CC1 1760262742 YOPYLYPJRSSPAF-HXUWFJFHSA-N 407.566 1.751 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2ccccc2)nnc1N(C)CCNS(C)(=O)=O 1760319676 PAQFVVXCOHOXOT-ZWKOTPCHSA-N 419.551 1.912 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc([S@](C)=O)cc1 1760510201 KRMAEBQGEZAMJC-HAWMADMCSA-N 408.549 1.740 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@]1(O)CCSC1 1760729059 BYEUNJPWENJYKS-FQEVSTJZSA-N 414.535 1.979 30 10 HDEE C[C@@H]1CCCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)C1 1762922966 HVVQWLVRCYINCP-GJYPPUQNSA-N 424.546 1.354 30 10 HDEE CCN1CCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(C)=O)CC1 1765437137 IAMPSSWIYAQCEY-HXUWFJFHSA-N 407.522 1.970 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@H](C#N)C2)C1=O 1767504037 VWVULZCEWUDARS-DNVCBOLYSA-N 411.422 1.060 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@](C)(C#N)C1 1767844518 AOHQPTRTFIZJMJ-QGZVFWFLSA-N 423.930 1.673 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2cnn(C)c2)n1CCNC(=O)C1CC1 1768659564 FFVGSPPFHZLYKY-UHFFFAOYSA-N 404.478 1.713 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)CNC(=O)C2 1769272030 IBMZLEAGQUHWBD-QGZVFWFLSA-N 412.469 1.908 30 10 HDEE CSCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1770597742 UDTFEKGNJCJVIH-ZDUSSCGKSA-N 400.574 1.771 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3ccc(Cl)nc3)n2CC(=O)N2CCOCC2)C1 1770727044 BTPXCCYBKXQQAQ-GOSISDBHSA-N 419.848 1.294 30 10 HDEE COc1[nH]c(=NC(=O)[C@H]2CC(=O)N(Cc3ccccc3Cl)C2)c(C#N)cc1C#N 1851054357 AGMABJAYICMYLO-HNNXBMFYSA-N 409.833 1.896 30 10 HDEE CC(C)[C@@H](C(=O)Nc1ccc(C#N)nc1Br)N1CCS(=O)(=O)CC1 1851763178 KHXKRKVQWOAXLU-ZDUSSCGKSA-N 415.313 1.409 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3coc(-c4ccc(F)cc4)n3)C2)CC1=O 1853645789 JRCWMQFJNISORI-GOSISDBHSA-N 411.437 1.639 30 10 HDEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2=O)c1 1853947516 RYBXSJGDPVNMRF-UHFFFAOYSA-N 411.483 1.859 30 10 HDEE CC(C)N([C@H]1CCCCN(C(=O)c2ccnc(C#N)c2)C1=O)[C@@H]1CCS(=O)(=O)C1 1854109531 WBNDLAQPDVYIMM-MSOLQXFVSA-N 418.519 1.372 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)Cc2cccnc2Cl)C(=O)C12CCCCC2 1854394764 GEVKKQFASPFLBV-UHFFFAOYSA-N 424.910 1.505 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3nccc4ccccc34)[C@H](C)C2=O)CC1=O 1854888958 VEBJDIPFRUXFQU-AEFFLSMTSA-N 406.486 1.829 30 10 HDEE COc1ccc(OCC(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)cc1 1854941718 SLRDALNXITWUKT-ROUUACIJSA-N 414.506 1.511 30 10 HDEE COC(=O)N1CCC(C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@@H](C)C2=O)CC1 1855024830 BTXMFUCEJQWUBY-AWEZNQCLSA-N 416.453 1.735 30 10 HDEE N#CC1(c2ccccc2)CCN([C@H]2CCCCN(C(=O)Cn3cnnn3)C2=O)CC1 1855706623 LRQOIZSYKWXSNZ-SFHVURJKSA-N 407.478 1.138 30 10 HDEE C=CCN(CC=C)C[C@H]1CC(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C1 1856266105 FZCMQAFKTLTADA-IAGOWNOFSA-N 409.552 1.240 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2c(Br)cnc3nccnc23)C1=O 1856488803 LOBUKWCEYBZGLH-NSHDSACASA-N 403.240 1.374 30 10 HDEE CN(CCC#N)[C@@H]1CCN(C(=O)C2CN(c3nc4c(F)cccc4s3)C2)C1=O 1856543617 YLZHHZGFYBFGPA-CQSZACIVSA-N 401.467 1.845 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2c3ccccc3nn2C)C1=O 1856748213 HTSJBTKUNJHIPE-MSOLQXFVSA-N 409.490 1.423 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccccc2C)C1)[C@@H]1CCN(C)C1=O 1857067259 FBAXZFLHANCYMO-RTBURBONSA-N 413.518 1.858 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2cccc(OC)c2)C1)[C@H]1CCN(C)C1=O 1857236540 HXECCHAZFZZMJU-LPHOPBHVSA-N 415.490 1.168 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](N3CCC(CC#N)CC3)C2=O)C1 1857362714 AFJOSECWSKQTLC-KRWDZBQOSA-N 404.511 1.997 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3nnc(C4CC4)s3)[C@@H](C)C2=O)CC1=O 1857440892 TXJSLVSGDBBTBA-GXTWGEPZSA-N 403.508 1.009 30 10 HDEE C=CCOc1ccccc1[C@H]1C(C(=O)NCCO)=C(N)Oc2c1c(C)nn2CCC 1864318616 ARAKIYLDUFEJPJ-GOSISDBHSA-N 412.490 1.969 30 10 HDEE COCCCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931967 NUZXKVXHKVSHEH-KRWDZBQOSA-N 401.488 1.489 30 10 HDEE C=CCOc1ccccc1OCC(=O)Nc1nc(N2CCN(CC)CC2)nn1C 1870043144 JPNPLZPLMKVBFF-UHFFFAOYSA-N 400.483 1.539 30 10 HDEE N#Cc1cccc(N=c2nc(N3CCC(CO)CC3)[nH]c(N3CCC(CO)CC3)n2)c1 1871730982 LHPOBIWMRQYKFH-UHFFFAOYSA-N 423.521 1.326 30 10 HDEE CC(C)(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2)CC1=O 1874273154 AJOPYRLWZYZTLF-IAAMAZNWSA-N 418.498 1.991 30 10 HDEE COc1cc(/C=N/n2c(SCCO)nnc2[C@@H]2CC(=O)N(C(C)C)C2)ccc1O 1874341453 KLEHFEBXBZPDFV-DGURAOSJSA-N 419.507 1.683 30 10 HDEE C=CCNC(=O)NC(=O)CSC(C)(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)O 1882748683 DRNYHJJZHGDJKD-HNNXBMFYSA-N 423.491 1.890 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 1984852337 UPNFNJRCXQXJNK-QZTJIDSGSA-N 417.506 1.995 30 10 HDEE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC(C#N)CC1 2054404943 XTLHSZYYOWXHLI-QZTJIDSGSA-N 406.508 1.856 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NS(=O)(=O)c2cc(Cl)ccc2C#N)[C@H](O)C1 2172948294 NTMQBTVZRGQHJJ-UONOGXRCSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@](F)(CNS(=O)(=O)N2CCC(C#N)CC2)C1 2174778868 CDUFBDMVZBMSDL-KDYLLFBJSA-N 404.508 1.699 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2174787402 TUTTZDYVQVHGDC-NWDGAFQWSA-N 414.450 1.760 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)N1CCC(C#N)CC1)C(F)(F)F 2174787472 ULYNYRNZOMIGMC-LBPRGKRZSA-N 414.450 1.760 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)OC(C)(C)C1 2174787768 XVIINTYOPNFJKE-ZIAGYGMSSA-N 402.517 1.081 30 10 HDEE COC(=O)NS(=O)(=O)N(C)[C@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2186589397 CZMXCKMIKFVORV-SNVBAGLBSA-N 404.319 1.641 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H](O)CN1S(=O)(=O)c1cc(Cl)ccc1C#N 2187586476 XOHIKPHAWNDCPW-KGLIPLIRSA-N 415.899 1.860 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N(CCC#N)CC(F)(F)F)C1CS(=O)(=O)C1 2197512376 YWFUHGIZSDCHJK-NSHDSACASA-N 413.418 1.229 30 10 HDEE CCCN(CCC#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197740717 UUBZACOOUXHPTO-AWEZNQCLSA-N 401.529 1.951 30 10 HDEE C#CCCN(CC(C)(C)C)C(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2197782081 KYFUFJHDCWPEAI-OAHLLOKOSA-N 400.541 1.919 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1nn(C)nc1Br 2214381861 YCHRNYPJMXDHFA-SNVBAGLBSA-N 400.277 1.453 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243684515 AXPDVGGNXXSNRG-HXUWFJFHSA-N 408.304 1.357 30 10 HDEE C[C@@H]1CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C[C@H]1NC(=O)OC(C)(C)C 2247823142 MGZXZCBKQZLIOE-TZMCWYRMSA-N 420.319 1.694 30 10 HDEE CN(Cc1c(Br)nnn1C)c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2266072704 PXBOGQJGSAYDOF-UHFFFAOYSA-N 408.109 1.908 30 10 HDEE C[C@@H]1C[C@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2267352375 DMNJJKPZJYJMIK-ZJUUUORDSA-N 406.766 1.729 30 10 HDEE C=C(CS(=O)(=O)N[C@@H]1CCCC[C@@H]1S(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282497249 NNXRWPYFTDRTMH-KGLIPLIRSA-N 407.363 1.449 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCOC3)c(Cl)c2)OC1(C)C 2282501350 WCJUEFXLEAOFRD-LBPRGKRZSA-N 401.721 1.954 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC2CC(F)C2)OC1(C)C 2282829129 AARVTHPXCVMMAV-UHFFFAOYSA-N 404.338 2.000 30 10 HDEE CC1(C)OCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282845582 VVAGEIHHCQXBEJ-LBPRGKRZSA-N 402.347 1.429 30 10 HDEE COC[C@@](C)(CCO)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282860402 ZPCDYKPBMLSZRY-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CCC[C@@H](O)C2)c1B1OC(C)(C)C(C)(C)O1 2282866156 FGSGGKSIKILYAP-CYBMUJFWSA-N 401.359 1.810 30 10 HDEE C[C@H]1[C@@H](N)[C@H](C)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866720 NXRVLCXAUHUODU-XUJVJEKNSA-N 400.375 1.794 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@H]2CC[C@H](N)CC2)OC1(C)C 2282867253 WDVNBJLKDHGWKH-JOCQHMNTSA-N 400.375 1.843 30 10 HDEE C[C@H](CS(N)(=O)=O)NC(=O)c1cccc(Cl)c1B1OC(C)(C)C(C)(C)O1 2283112359 WDRCCDLTVRKGBF-SNVBAGLBSA-N 402.709 1.046 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC[C@@H]3C(=O)O)ccc2Cl)OC1(C)C 2284394976 FYUZHXRXFDFOTH-CYBMUJFWSA-N 401.677 1.487 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCC[C@@H](F)C(=O)O)OC1(C)C 2284397381 LMLRCXMACAYYIL-LLVKDONJSA-N 407.294 1.280 30 10 HDEE CC(C)(F)[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284402913 MQBQSKFVCIQFHM-NSHDSACASA-N 407.294 1.527 30 10 HDEE N#Cc1cc(N2CCO[C@H](c3cncc(CCC(=O)N4CCOCC4)n3)C2)ccn1 2296587331 YMAWULXGAGEUAC-FQEVSTJZSA-N 408.462 1.113 30 10 HDEE C[C@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300274552 TTWZUVNDOUSCBW-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2cscc2C(=O)N[C@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2360572079 OQYQMVGDAWKYFJ-GFCCVEGCSA-N 401.230 1.853 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)[C@H]2C1 2365172173 VBFYBABVAQPYOU-XTDOFWJNSA-N 400.541 1.148 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H]([C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O)C1 2365242897 FLAWPBVDARMFLL-KGLIPLIRSA-N 403.497 1.540 30 10 HDEE Cn1cc(/C=N/Nc2nc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n[nH]2)cn1 59310821 BMNBIIIDEZKENB-OMCISZLKSA-N 401.412 1.623 30 10 HDEE CCN(C)C(=O)[C@@H](C)Sc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820613 HOMMALKFFXLJJD-YFEDRJBBSA-N 423.455 1.832 30 10 HDEE COCCn1cc(C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)ccc1=O 109941922 IOEGZFQPTKHDCY-KRWDZBQOSA-N 412.471 1.520 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H]1CCS(=O)(=O)C1 111048059 LPCGCZGYKUGSIM-CQSZACIVSA-N 405.545 1.949 30 10 HDEE CC[C@H](CC#N)NS(=O)(=O)c1ccc(I)c(C(=O)O)c1 130059683 WYZYNKRPAVIRQT-MRVPVSSYSA-N 408.217 1.960 30 10 HDEE C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]1(COC3=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C=O 257505860 ORDKVFHKMGUXSQ-MCRDERIDSA-N 404.459 1.609 30 10 HDEE biogenic C[C@@H]1O[C@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1C 438403770 VHZCWVDRUUQNOL-OAGGEKHMSA-N 405.520 1.983 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)CCc1c(C)nn(CCC#N)c1C 439941086 IXGMMJCOLXVYFZ-RWQQGDIJSA-N 416.478 1.298 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)CN2CCN(c3ccc(C#N)cn3)CC2)c1 441920140 KWBDEDHSESVDEO-UHFFFAOYSA-N 417.466 1.257 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)CC1 476220508 NMWNWFXFQBEXGP-IBGZPJMESA-N 411.506 1.560 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)c1 479055351 FGUAWSAGSOLKQF-LJQANCHMSA-N 422.464 1.725 30 10 HDEE CCNS(=O)(=O)c1ccc(CNC(=O)c2cc(C#N)c(SC)nc2O)cc1 479371204 AWHQHFCGPDOLMH-UHFFFAOYSA-N 406.489 1.609 30 10 HDEE Cc1ncc(S(=O)(=O)NCc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)cc1C#N 489115987 WLZKDSCLPWJZMO-OKILXGFUSA-N 401.492 1.749 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 505647026 QTNYTRGETSZGKC-CAMMJAKZSA-N 407.470 1.667 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOCC)[C@H](CC)C1 508842855 ZTLNEMCRXZWOMJ-IAGOWNOFSA-N 411.572 1.303 30 10 HDEE C=CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@@H](n2ccc(C(=O)NC)n2)C1 508861753 DXFSBFOIIUSRLG-OAHLLOKOSA-N 412.498 1.098 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)Cc2ccccc2C)CC1 508910248 BDHDGVDJFZUTEI-LJQANCHMSA-N 411.506 1.752 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 522944933 BWJDFUKPADYOJB-KZNAEPCWSA-N 403.504 1.284 30 10 HDEE CC#CC[C@H](NS(=O)(=O)c1ccc(CCNC(=O)CC(C)C)s1)C(=O)O 541000052 BYQJRYBTJMDOOI-AWEZNQCLSA-N 400.522 1.598 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H]3CS(N)(=O)=O)n2)c(Cl)c1 542726149 MVSRCEOOVQBUNM-LBPRGKRZSA-N 408.871 1.682 30 10 HDEE C=CCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2cc(-n3ccnc3)cs2)c1=O 543149431 WDTKIGQKWQYKLC-UHFFFAOYSA-N 423.523 1.125 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Cl)cc2C)c(=O)n1C[C@@H]1CCCO1 545209753 OZPDLVAPBZJJBQ-HNNXBMFYSA-N 417.918 1.300 30 10 HDEE C[C@H]1CCC[C@H](NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)C1 546778529 HUXPEOGNIDLAFW-ROUUACIJSA-N 410.584 1.713 30 10 HDEE C=C(C)Cn1c(-c2ncccc2C)nnc1N1CCN(c2nccn(C)c2=O)CC1 555249116 FMRZRGJYBQYGKJ-UHFFFAOYSA-N 406.494 1.645 30 10 HDEE N#CCc1ccnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 565867860 NIFHUUHSFPECAR-BZUAXINKSA-N 404.492 1.196 30 10 HDEE Cn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 568691440 NERBJVJVSOACII-UHFFFAOYSA-N 418.400 1.119 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cc(O)ccc2[N+](=O)[O-])CC1 584304354 QVWGKYBMUNVWCS-UHFFFAOYSA-N 402.432 1.679 30 10 HDEE COCCCNC(=O)C(/C=C1\C(=O)ONN1c1ccccc1)=NC(=O)c1ccccc1 585673529 GRRFWDCKBWZNLK-FORZUALWSA-N 422.441 1.787 30 10 HDEE N#Cc1c(NC(=O)C[S@](=O)CC(=O)NC[C@@H]2CCCO2)sc2c1CCCC2 586298274 KFUKWUOTZVNULO-BIXPNRAVSA-N 409.533 1.481 30 10 HDEE C=CCn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 669817980 FLMLAVNUPDKIGU-PXNSSMCTSA-N 409.538 1.439 30 10 HDEE C#CCNC(=O)CN1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)CC1 728572889 PCLRYLVAKGIMDO-AWEZNQCLSA-N 400.306 1.100 30 10 HDEE CCOC(=O)N1CCN(C(=O)CN2CCC(Oc3ccc(C#N)cc3)CC2)CC1 728929589 MRUQHGUNWGOILH-UHFFFAOYSA-N 400.479 1.702 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)CNS(=O)(=O)c1ccccc1C#N 728991874 XWUNQNLPNMMVGK-UHFFFAOYSA-N 406.391 1.506 30 10 HDEE CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN(C2CC2)[C@@H](C#N)C1 732664563 QXDSBHYHCQKTOQ-WMZOPIPTSA-N 422.576 1.285 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@H]1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 742078155 YLZFMAIVQRNTLN-MOPGFXCFSA-N 414.506 1.859 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1cccnc1S(=O)(=O)C(F)(F)F 744895902 XYBHPXYYHXIZFC-BMIGLBTASA-N 421.397 1.975 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1 746120733 UMKVFJROVMTKTJ-RMYFCYLKSA-N 400.460 1.443 30 10 HDEE COc1ccc(COC(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)cc1C#N 747071851 WBVOHGSENHOCLR-LBPRGKRZSA-N 406.464 1.327 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CC1 751375373 FFJKIFKRBXDEHX-UHFFFAOYSA-N 407.474 1.511 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CCC(=O)N1CCN(c2cccc(C#N)n2)CC1 761036447 HJEOKIIGAPHWCW-UHFFFAOYSA-N 419.489 1.427 30 10 HDEE C#CCN(C(=O)NCCc1nnnn1C)[C@H]1CCOc2ccc(Br)cc21 772076567 LSYXJKCEQWACJC-AWEZNQCLSA-N 419.283 1.684 30 10 HDEE C#CCN(C(=O)NCc1cccc(COCCOCC)c1)[C@H]1CCS(=O)(=O)C1 774164933 CIWJGNWQVQYNRA-IBGZPJMESA-N 408.520 1.572 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)CCCOC(=O)[C@H](O)c2ccc(C#N)cc2)cc1 780208865 FIIYSUYMUMUZFT-LJQANCHMSA-N 416.455 1.957 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC(=O)N(CN2CCN(c3ncccc3C#N)CC2)C1 782926970 QLAMXLVBLMMIAC-INIZCTEOSA-N 400.483 1.158 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(N3CCOCC3)c(C)c2)cc1C#N 783338743 VGBOTUNVSMXARS-UHFFFAOYSA-N 408.458 1.967 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(-c2noc(C(F)F)n2)cc1 783346480 BJMPYNMPXOMITH-UHFFFAOYSA-N 414.390 1.330 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)c1 784489760 XJXXBUPSWAHVJO-SZMVWBNQSA-N 411.487 1.991 30 10 HDEE N#C[C@@H](C(=O)NCc1ccc([N+](=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1 787055698 BJQYAOBNTBJOPM-WCQYABFASA-N 412.324 1.331 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(NC(=O)OC)cc2)n1 788694973 AFXTVRIAJAQXFA-UHFFFAOYSA-N 406.464 1.532 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCN(c3ccc(F)cc3)CC2)n1 789322404 HQDVEIWSQUGKJX-UHFFFAOYSA-N 413.497 1.453 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)cn1 791187722 ADNGGWCNAUCNGB-AOIWGVFYSA-N 414.535 1.328 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NS(=O)(=O)c3cccc(F)c3F)CC2)o1 793230926 ZGDRHQQSYVGYLB-UHFFFAOYSA-N 410.402 1.854 30 10 HDEE C=CCN=c1scc(-c2cnnn2C)n1N=Cc1c(Br)cnn1C 794840420 DHJFGZDWAOQHJP-UHFFFAOYSA-N 407.301 1.810 30 10 HDEE NS(=O)(=O)c1ccc(C=NN2C(=O)c3ccccc3C2=O)cc1Br 807942448 CWGHCJOAFJRDEU-UHFFFAOYSA-N 408.233 1.727 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)OCc2ccccc2)n1C[C@H]1CCOC1 812415341 CQEKNOJLNGHKCH-LJQANCHMSA-N 407.474 1.814 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N[C@H](C(=O)OCc1ccccc1)[C@H](C)O 816748252 UWRVQJWPDSLBDG-YWZLYKJASA-N 411.458 1.817 30 10 HDEE CC(C)(C)NS(=O)(=O)C1(CNC(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1132937928 OWOKTURWSLYRHS-OAHLLOKOSA-N 422.526 1.890 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCO[C@@](C)(C#N)C3)CC2)c1 1134495530 KMBVVWFZIUIKKR-NRFANRHFSA-N 401.463 1.697 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)NC)CC1 1141522660 OUSWJWOEEYLACF-CYBMUJFWSA-N 409.936 1.563 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)C1 1143719780 GKBNLPHYWVUGSW-GOSISDBHSA-N 411.487 1.093 30 10 HDEE CC(C)C[C@H](CC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)NC(=O)OC(C)(C)C 1181001376 UGEWMTIUVVMMPM-CQSZACIVSA-N 419.482 1.533 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCc2cccc(CN3CCN(C)CC3)c2)CC1 1226496217 CRNRPBQUZAPOGR-UHFFFAOYSA-N 413.522 1.422 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1264743738 TTXBZBZFHIFQMG-UHFFFAOYSA-N 414.506 1.913 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N1CCOCC1 1286283521 SGBQMHDMSJKMIJ-DLBZAZTESA-N 421.509 1.099 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCOC[C@H]1OC 1286415670 IYBOMONOERHYHU-TZIWHRDSSA-N 419.485 1.853 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@@H]1CCCS(=O)(=O)C1 1286426161 MDZIAVCUCVDLNY-SFHVURJKSA-N 411.531 1.936 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)N2CCCC2)CC1 1286509606 ULVMQPJRYHHMIT-SFHVURJKSA-N 417.579 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1286553681 QKIRUFUKGPLUGK-OWYHZJEWSA-N 405.543 1.935 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC(C)(C)C1 1286554112 GOOQENGHDBWRKS-ZACQAIPSSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@@]1(OCC)CCOC1 1286613735 FEBTVHZMHWWEQA-LEWJYISDSA-N 419.526 1.239 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(c2cnn(C)c2)CC1 1286711942 RNOPOXKLZUFOIM-KRWDZBQOSA-N 401.515 1.435 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCC(F)(F)C1 1288868671 CPURLPLLHITZEB-AVGNSLFASA-N 418.470 1.052 30 10 HDEE CC1CCN(CCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)CC1 1291180629 ICFVOKICXUZYTH-MSOLQXFVSA-N 415.542 1.470 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@]2(C(=O)OC(C)(C)C)CC=CCC2)CC1 1292889595 HGJXNUSHPVAUHD-JOCHJYFZSA-N 403.523 1.338 30 10 HDEE CC(C)N1C(=O)C[C@H](NC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1=O 1294226657 GCXRRJTZPQNUHW-DOMZBBRYSA-N 402.838 1.217 30 10 HDEE CCCO[C@@H]1CCCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1294999639 YSCLLQPCXZIYIZ-OZNQOIHVSA-N 402.499 1.898 30 10 HDEE COC(=O)[C@@H](O)C1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1295338197 SIHGRTIZVVIMCW-SFHVURJKSA-N 408.495 1.409 30 10 HDEE CCOC(=O)C1([S@@](C)=O)CCN(C(=O)CCc2c(C)nn(CCC#N)c2C)CC1 1298064983 DQBZWSHQHLFEHU-GDLZYMKVSA-N 422.551 1.649 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]1C1CCC1 1300411462 SAZWTHRKWRVIMK-ZWKOTPCHSA-N 421.567 1.793 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOCC(F)(F)C(F)F 1300581094 MFQHUNSOORCWPK-ZDUSSCGKSA-N 415.391 1.609 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCCN(S(C)(=O)=O)CC1 1301258042 JVPSAIQXDHYKFL-UHFFFAOYSA-N 413.588 1.931 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@]2(CCOC2)O1 1301412745 JBHXDAZDSAOQCN-LAUBAEHRSA-N 421.542 1.783 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@H](C(C)C)C1 1301478100 ICVNMJHBVPHSLQ-MRXNPFEDSA-N 406.531 1.360 30 10 HDEE COC(=O)[C@H](CCC(=O)NCc1cncc(C#N)c1)NC(=O)OCc1ccccc1 1303860470 ATTXNIIYKFHTOV-SFHVURJKSA-N 410.430 1.818 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)cc1 1304234266 GKRROAVJMNLNJR-CQSZACIVSA-N 400.522 1.237 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1308000735 CILGWVSGZDISQI-KRWDZBQOSA-N 410.440 1.957 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CO)(C(F)(F)F)CC3)CC2)o1 1308127738 DDAXSNYNKLIPFJ-UHFFFAOYSA-N 415.416 1.140 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(CCCNC(=O)C(F)(F)F)cc1)C(=O)OC 1309572586 BZWGOOMRADQHPO-CQSZACIVSA-N 420.409 1.141 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1 1312788336 KNLCNMAAOWOCJR-UHFFFAOYSA-N 414.550 1.827 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCCOC2)n1CCS(C)(=O)=O 1314741187 KMLAMUFVXKYAMA-KRWDZBQOSA-N 403.508 1.725 30 10 HDEE COCCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)COC)CC1 1316012084 NNVAREVIRXSXHC-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE C=CCCn1cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)nn1 1354819294 WITKUAUTGSEFMP-FXBPSFAMSA-N 402.480 1.919 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@@H]2CNC(=O)C[C@H]2C(F)(F)F)cc(OC)c1OC 1358415261 QVQCNZUHNONKPP-UTUOFQBUSA-N 415.368 1.708 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCN(C)CC(F)(F)F)CC1 1359033531 FVXLMRPNWLGZBL-UHFFFAOYSA-N 407.444 1.589 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccco2)N(C)C)CC1 1359035446 UMLHKEJQUHZHBQ-RBUKOAKNSA-N 412.538 1.823 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCCN(C(C)=O)CC1 1359089754 OMCSXXQBTBIDPL-ROUUACIJSA-N 418.542 1.456 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1C[C@@H](N2CCOCC2)[C@H](CC)C1 1359123638 DNONCNLQRRRDLY-QZTJIDSGSA-N 402.543 1.524 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccccc2F)n1Cc1cn(C2COC2)nn1 1359280028 BNZXUPNBNZDBEN-UHFFFAOYSA-N 413.457 1.934 30 10 HDEE CC1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CC1 1359473709 GQSZHONYNPRNEO-IAGOWNOFSA-N 408.572 1.508 30 10 HDEE CC(C)CN(C)c1nnc(Cc2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1359979500 IIGVAISBVMUBOR-FMQUCBEESA-N 409.494 1.883 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1C[C@]1(C)COCCO1 1360171837 CIUQGFWFBDDQTL-OAQYLSRUSA-N 412.494 1.730 30 10 HDEE CC[C@@H](C#N)Oc1cc(CNC(=O)c2ccnc(N3CCOCC3)n2)ccc1OC 1435133433 HGECPGRNLNPWCQ-INIZCTEOSA-N 411.462 1.933 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)[C@H](O)c2cnn(C)c2)cc1 1441894904 RCQDKECUHFAIMA-LFTLAFEGSA-N 419.507 1.685 30 10 HDEE CS(=O)(=O)CC[C@@H](Cc1cccc(Br)c1)C(=O)N[C@@H](C#N)CO 1449519818 MBBGRZMAODYOMV-JSGCOSHPSA-N 403.298 1.043 30 10 HDEE N#Cc1cn(CCNC(=O)Cc2ccc(OCc3ccccn3)cc2)c(=O)nc1O 1453839773 CKXZASZHBMFFBN-UHFFFAOYSA-N 405.414 1.153 30 10 HDEE C#CC1(F)CN(C(=O)CN2C(=O)N[C@](C)(c3ccc(Br)cc3)C2=O)C1 1471607403 ZROXGPCKHOBSTO-MRXNPFEDSA-N 408.227 1.400 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@@H]2OCC[C@@H]2C1 1503818602 OOALZCYJHIYRIW-MJGOQNOKSA-N 424.505 1.870 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N1CCC(C#N)CC1 1505014702 IZJIJIKIAIPDDR-GOSISDBHSA-N 412.494 1.990 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507589188 UVBMBJWOIJVKJU-INIZCTEOSA-N 419.551 1.042 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1507600018 ANYUOINZXYPJPH-CQSZACIVSA-N 406.512 1.188 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1COc2ccccc2O1 1507658716 FSYVGSBQOJOBOG-SFHVURJKSA-N 419.485 1.817 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC(=O)N[C@H](C)CC 1507684497 CMLHLWNXTBLTIE-MRXNPFEDSA-N 421.509 1.685 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCC2(OC)CCC2)CC1 1507718824 IAMCRRGKNKWDHR-QFIPXVFZSA-N 417.554 1.645 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCN(CCC)C2)CC1 1507724393 OISNSQVJEOEKAY-NRFANRHFSA-N 407.566 1.751 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1507752417 ZUMLTBSQLGABEC-CVEARBPZSA-N 418.523 1.808 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H]1CCCOC1 1507844440 JXVKDGAYSFBQPV-SJORKVTESA-N 412.556 1.636 30 10 HDEE C=C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](CC)OC)CC1 1507884635 KQELHTFWBLFCQK-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NCC(F)(F)F)C1CC1 1507988031 OSWZEHAFIMVTTI-QGZVFWFLSA-N 417.432 1.764 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCSC(CC)(CC)C1 1508070973 HCRPENCVRYYQKF-UHFFFAOYSA-N 408.572 1.831 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCC(=O)NC 1508098896 SVRROVPRGHTVQP-RHSMWYFYSA-N 406.531 1.071 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCC[C@@H](O)C2)CCOC1 1509813027 AKFIOQWWRMAUAW-XKGFGPFHSA-N 419.526 1.599 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1C[C@H](C)CN1CCCC1 1513923176 HICHALGGDGOVAC-QZTJIDSGSA-N 423.569 1.949 30 10 HDEE COCC[C@H]1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1519001010 GIHBZLRWUITGLJ-KIJUOZEOSA-N 402.499 1.791 30 10 HDEE CC(C)c1nc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nn1-c1cccc(F)c1 1536180128 QADOATVLHPLBOV-DJJJIMSYSA-N 417.466 1.540 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@]2(CCOC2)C1 1539044985 ODSBBJDVKZBZKI-NRFANRHFSA-N 410.478 1.725 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCCO3)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539108624 AWXPNVCCUYBNSO-HNNXBMFYSA-N 418.519 1.999 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCc1ccn(C)n1)[C@@H]1CCS(=O)(=O)C1 1539212631 WQDVFBYSJKMQIX-LJQANCHMSA-N 424.530 1.548 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCCCOCC)[C@@H]1CCS(=O)(=O)C1 1539219454 COKVOWCPSSFGMB-QZTJIDSGSA-N 424.567 1.616 30 10 HDEE C#CCN(c1nnc(Cc2cccnc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1539226403 XJWMQHHFMLHHSL-KRWDZBQOSA-N 419.576 1.644 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccco1)N(CC)CC 1539259314 CJUCUSLSLKDXBK-MSOLQXFVSA-N 408.506 1.978 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1539345452 UTZDEJBAPILNBS-CQSZACIVSA-N 409.487 1.566 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1540901029 QSYQFROHWBXCNE-MRXNPFEDSA-N 419.507 1.330 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCCCS1(=O)=O 1541798017 ABUGFDQECVNGAS-CABCVRRESA-N 408.528 1.220 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)C1 1541988611 WKAXSYDEDZVQOJ-DYESRHJHSA-N 416.526 1.840 30 10 HDEE Cc1ccccc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C#N)CC1 1542765968 CJDJMSICQUCIRF-HNNXBMFYSA-N 402.524 1.985 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)[C@@H](C#N)C1 1543734469 HAFGPUNMPFXKTQ-KRWDZBQOSA-N 423.473 1.882 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CCN2C1=O 1545310310 QEOHPXUUCVBPSR-KGLIPLIRSA-N 407.471 1.068 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1CCc1n[nH]c(C)n1 1546576733 BBRJECGFPSGIIJ-MRXNPFEDSA-N 405.466 1.201 30 10 HDEE CCO[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2CC[C@H](CO)O2)CCOC1 1547887811 BXTPUJXOKQXQBX-UEXGIBASSA-N 419.526 1.600 30 10 HDEE COC[C@H]1CCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1555369377 GIDUZPAEWUCQQB-IJYGLTAASA-N 402.499 1.476 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCC[C@@H](n2cc(CNC(=O)OC(C)(C)C)nn2)C1 1556911349 YWTHOBFJKISBSV-MRXNPFEDSA-N 421.498 1.976 30 10 HDEE C#C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1)C1CCOCC1 1557580531 UHGPJDBQMDTPMM-ROUUACIJSA-N 401.463 1.092 30 10 HDEE C#CCN(CC(=O)N1[C@H]2CC[C@@H]1C[C@@](O)(c1ccnn1C)C2)C(=O)OC(C)(C)C 1558363825 XHRMESDPTCOVQX-JIPZTSHUSA-N 402.495 1.631 30 10 HDEE COC(=O)[C@@]1(C)C[C@@H](OC)CN1CC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1560060093 FNQBPUMIRVAYKZ-VQIMIIECSA-N 412.408 1.826 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)Nc2ccn(CCN3CCNC3=O)n2)CC1 1563292855 BJJYQIWCKGMQFZ-UHFFFAOYSA-N 414.495 1.196 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H](C#N)Cc3ccc(C#N)cc3)C2=O)cc1 1568689915 NTYPDRFOZDXCJB-OPAMFIHVSA-N 417.425 1.748 30 10 HDEE C#C[C@H]1COCCN1C(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1570226601 ACMAEWLBGPTERR-GJZGRUSLSA-N 412.895 1.272 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@H](N3CCCC3=O)CC2)cc1S(=O)(=O)NCC#N 1570321143 GQKGBZOIDUCMIX-KRWDZBQOSA-N 418.519 1.414 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1583811246 AFQPYYLTXWAKTP-IFXJQAMLSA-N 412.471 1.289 30 10 HDEE CC(C)(C)OC(=O)[C@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)CSCC#N 1585725423 IYEPSOZKPUNBGN-ZYHUDNBSSA-N 409.430 1.623 30 10 HDEE C=CCC1(NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3OC)C2=O)CCOCC1 1586900626 GHIMDAFRTCIUAZ-FQEVSTJZSA-N 401.463 1.704 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1Cc1ccc(OC)cc1OC 1588158466 CNPVRPROTGTSPJ-UHFFFAOYSA-N 407.474 1.539 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1 1588195434 KZXQQHSOYMVKCV-UHFFFAOYSA-N 419.503 1.932 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(C)COC1 1588200653 YLQLYZQGUBQXIY-UHFFFAOYSA-N 402.462 1.420 30 10 HDEE C#CCN(CCOC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1OCCC1(C)C 1588580959 AXHSNIPTZQOOAB-LAUBAEHRSA-N 406.527 1.831 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCO[C@@H]1C(C)C 1588672979 JOCKOJZXKUCXJX-GHTZIAJQSA-N 417.554 1.938 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC2(C)COC2)CC1 1588733262 PUHMVVSZDRWXMO-UHFFFAOYSA-N 422.533 1.939 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1593660421 LZKDJKCXUAJSBD-UHFFFAOYSA-N 418.439 1.999 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCN(Cc2cc(C)on2)CC1 1594807575 SJAKXRYHONTAAP-UHFFFAOYSA-N 424.509 1.946 30 10 HDEE C=CCn1c(CC)nnc1N1C[C@@H]2[C@@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1595411507 UWOUCGUSQFIRSG-RDBSUJKOSA-N 411.528 1.153 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCC[C@@H](OC)C1 1595506784 MMMCIZDUTMYGDC-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCN(C)c1ccccc1 1595537343 PQWDEFVQOSBNMM-KRWDZBQOSA-N 411.510 1.104 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C 1595603118 YCRAUEZFFBJUEF-UHFFFAOYSA-N 404.559 1.426 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCC2)C1 1595720732 BBRHRDYGHLIXNQ-HZPDHXFCSA-N 410.540 1.531 30 10 HDEE C=CCSCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1595837739 CGZPWNHFBCIOJH-HOCLYGCPSA-N 420.583 1.831 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 1607456947 NZPARELWJINGSU-SHTZXODSSA-N 407.492 1.384 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)CNC(=O)c2ccccc2Cl)C1 1611245677 RMAHKUCCKPVNRG-WFASDCNBSA-N 406.870 1.945 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCCN3C[C@@H]4CC[C@H](C3)O4)ccc2c1=O 1611327242 OSLRDYBGKSALPM-GASCZTMLSA-N 400.504 1.464 30 10 HDEE CC[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@H](C#N)C1)OC 1613663079 WTUZPLPXLYXDPJ-NQYYFHDYSA-N 418.542 1.604 30 10 HDEE C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1614781083 MPQILNGSQLMHMS-ZBFHGGJFSA-N 418.494 1.260 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCN(c3cccc(Cl)c3C)CC2)C1=O 1616942738 FYMHOLZPWBIHHB-UHFFFAOYSA-N 404.854 1.274 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1617594910 HCTSQVLWZIHZNC-UHFFFAOYSA-N 417.473 1.958 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCC(C(=O)OCC)([S@@](C)=O)CC2)c1 1617986837 DGJIGOUJVWVGIV-GDLZYMKVSA-N 419.503 1.092 30 10 HDEE CS(=O)(=O)N1CC[C@H](Cn2c(-c3ccccc3)nnc2N2CC[C@@](F)(C#N)C2)C1 1620167279 CATIJEDSMVCFTO-HNAYVOBHSA-N 418.498 1.669 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@H]2CN(C)C(=O)OC(C)(C)C)C1=O 1626122462 UGRMNUOVPDLURQ-AWEZNQCLSA-N 422.482 1.211 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCc3ccc(C(=O)NO)cc3)CCC2)C1 1626242754 LZFGITFZYPPPPP-UHFFFAOYSA-N 419.478 1.574 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)/C=C\c2ccc(F)cc2)CC1 1627071749 FNNCLIGVKMLXIN-TWGQIWQCSA-N 411.451 1.377 30 10 HDEE CCN(C(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@H](C)C(=O)OC(C)(C)C 1629264304 BABGMBPJHMVFTD-UONOGXRCSA-N 409.508 1.804 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(C)C[C@H](C(=O)OC)C2)CCCN1C(=O)OC(C)(C)C 1630138584 PNSNICODDHOOLB-HRAATJIYSA-N 409.527 1.895 30 10 HDEE C=CCNC(=O)CNC(=O)[C@@](C)(NC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1 1632773644 TYJFARNYYYUKCX-IBGZPJMESA-N 406.439 1.753 30 10 HDEE Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)cc1 1632824295 VVSZCIGZQYMTDE-UHFFFAOYSA-N 416.547 1.502 30 10 HDEE COC(=O)[C@](C)(Cc1ccc(F)cc1)NC(=O)CCN/C(O)=C1/N=CC=CC1=O 1633239342 KYLGBTAKSQGANU-IVFAQJDTSA-N 403.410 1.333 30 10 HDEE C=CCC[C@@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1635343146 NAASYVTVYADOFW-QMMMGPOBSA-N 411.705 1.807 30 10 HDEE C[C@H](CC(=O)N1CCO[C@]2(CCSC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1638721637 AKSFUMCBJQUAKU-FZKQIMNGSA-N 409.533 1.238 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1n[nH]cc1C#N 1643356442 CIYIRWQZJDFOCZ-WWRUEGTHSA-N 405.505 1.932 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC#Cc1ccc(OC(F)(F)F)cc1 1644108881 CXAVKQDZRCKEGL-AWEZNQCLSA-N 405.394 1.599 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1 1644284948 DTSPBQJJXMEKQJ-UHFFFAOYSA-N 411.936 1.709 30 10 HDEE COC(=O)[C@@H]1CN(CCC(=O)N(C)CCC#N)CC12CN(C(=O)OC(C)(C)C)C2 1644662456 WTQMPISKMOKYJI-HNNXBMFYSA-N 408.499 1.090 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)OC)c1 1644822590 GZPMMXZLYPKNEA-SFHVURJKSA-N 420.462 1.804 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)CC1 1644943409 XLSCBTHIEHYJKP-KWEPMOPPSA-N 411.502 1.719 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)NN2C(=O)[C@H](C)N(C)C2=O)cc1OC 1645974627 QLZPIVWRLCGPIM-ZDUSSCGKSA-N 406.439 1.538 30 10 HDEE C[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC[C@@](C)(C#N)C1 1647827773 HALVETLKXRGVOR-KXBFYZLASA-N 406.508 1.270 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ncsc2Nc2ccccc2C)CC1 1650848672 DIHZKQWSANAKMT-UHFFFAOYSA-N 419.532 1.421 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccnn1[C@@H]1CCCOC1 1653336761 HOFMUDMZAIDQBW-UKRRQHHQSA-N 403.464 1.412 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(N3CCS(=O)(=O)CC3)cc2OC)CC1 1660871076 XHAKBQZKCICNEG-UHFFFAOYSA-N 421.519 1.312 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)C[C@H]2CCCN2C(=O)OCc2ccccc2)CC1 1665123868 NHFHBNKNGGTXES-GOSISDBHSA-N 406.504 1.578 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)C1 1676031313 XNHQQFVDAGNGOB-KRWDZBQOSA-N 403.552 1.763 30 10 HDEE C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)NCCn1cnc(C#N)n1 1680972955 JUWDJNZPNYURFF-MRXNPFEDSA-N 407.272 1.205 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(CC(=O)Nc3ccccc3OC)CC2)C1 1685266930 LPEOZAFBJRQLGJ-GOSISDBHSA-N 413.522 1.059 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(F)c1 1689826374 MVZMREAHLAHVTM-OLZOCXBDSA-N 409.487 1.542 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2Cc2nncn2C)c1 1689872082 ODLWCIXWYPIHOR-MRXNPFEDSA-N 420.477 1.015 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 1689929660 BKEFHRJIGFBHFA-INIZCTEOSA-N 411.466 1.825 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1689933131 BGUKRDZKJFIKBC-KRWDZBQOSA-N 402.524 1.195 30 10 HDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1CCC(=O)N1CCOCC1 1690024106 SOQJXANUCRIMRD-UHFFFAOYSA-N 419.529 1.775 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1690060752 HBLAWJOELYRBJI-KKSFZXQISA-N 403.527 1.693 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCCCSC)CC1 1690113717 RTEOQYAECVDXFL-FQEVSTJZSA-N 407.584 1.829 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1690252458 DZNVUXJORJFIMV-KPFFTGBYSA-N 400.527 1.972 30 10 HDEE C=CCCOCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS[C@H](C)[C@@H]1C 1690497395 OXOVPCAKUJYOEL-SOUVJXGZSA-N 417.601 1.811 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1c[nH]nc1C)C1CC1 1690545397 QDRFNLHUBXJZIU-INIZCTEOSA-N 404.540 1.999 30 10 HDEE CC(C)CCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1COCCO1 1692346467 FWBFWYJNGCGBAW-SJORKVTESA-N 404.515 1.801 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1CCCC(=O)N(C)C 1694325525 DQSUNLAERASDIX-IBGZPJMESA-N 407.494 1.507 30 10 HDEE CCN(CCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](C#N)C1)CCC(F)(F)F 1695758482 FTLHZWWAXWPBGW-GJZGRUSLSA-N 416.448 1.785 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCO[C@H]1CCOC1 1696337219 PTNOSXNDFWLZOX-MSOLQXFVSA-N 404.515 1.187 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1698486830 SKSMFVJROJTSTC-NBBZSNRISA-N 415.429 1.098 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H]1COc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1705562121 XTKDESYWSCYNQQ-JKSUJKDBSA-N 402.476 1.053 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H](OC)C(C)(C)C)CC1 1705634614 DCUCNKDVOUHPKO-ROUUACIJSA-N 407.559 1.818 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705644331 NAAIDHFIOXYAFY-INIZCTEOSA-N 421.567 1.192 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCC[C@@H]1NC(=O)NC1=O 1705672884 KFSTXZUFWQLQIT-QEEYODRMSA-N 400.483 1.152 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705818750 ULPPRAHGKZFEHK-AWEZNQCLSA-N 421.523 1.985 30 10 HDEE C=CCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705822081 SBCWEKCAZPODKD-KRWDZBQOSA-N 421.571 1.624 30 10 HDEE C=CCN(CCOC)c1nnc(CC)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1705885363 PAXWLVOKACGWHI-SJORKVTESA-N 411.572 1.684 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCO[C@H](C#N)C1 1705898957 DBSCABRZABZJFZ-MRXNPFEDSA-N 403.446 1.524 30 10 HDEE C=CCSCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC1 1705947036 YHUFHLLXHQDOAE-HNNXBMFYSA-N 415.585 1.376 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCOCCN(C)C 1706316166 NVASCHKHEUHAMO-UHFFFAOYSA-N 412.542 1.573 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C(N)=O)nc1 1706461484 BVQHFIXLWNQLNV-UHFFFAOYSA-N 421.509 1.987 30 10 HDEE CCN(c1nnc(-c2ccc[nH]2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1709946001 AYNLTVZIQSXDRU-CYBMUJFWSA-N 400.464 1.800 30 10 HDEE CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCN(C)C)C[C@H]1C 1710277954 KWIVXEUDBJQGSC-GOSISDBHSA-N 411.554 1.925 30 10 HDEE Cn1cc(N2CCC[C@@H]2Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](C#N)C2)cn1 1711256093 RUTUTIBTYOLLHH-SJLPKXTDSA-N 412.542 1.998 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CCO1 1711360285 FMGNWKXYXLAVGD-SFHVURJKSA-N 417.429 1.281 30 10 HDEE COc1ccc(Cn2c(-c3cnccn3)nnc2N2CCC(C#N)CC2)c(OC)n1 1711842055 DDIOFBCOUWMFKU-UHFFFAOYSA-N 406.450 1.936 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1712317904 CPCGGBHFZDBRCZ-FGSXEWAUSA-N 424.505 1.319 30 10 HDEE COCCCN(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1/N=CC=CC1=O 1712377096 ZDQPEYZNQMNYKL-ZPHPHTNESA-N 411.466 1.339 30 10 HDEE CS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1712700890 SPFPSBZMVFYFPL-SJORKVTESA-N 423.502 1.523 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)c1ccccc1 1722278663 RUHBUQUMKULLEK-DLBZAZTESA-N 418.567 1.873 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCc2nn(C)c(=O)cc2C1 1722337774 ALEITGUDASRBHN-UHFFFAOYSA-N 406.494 1.210 30 10 HDEE C#CCN(C)c1nnc(-c2ccccc2OC)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722348787 PACAUGOYALNXRI-OAHLLOKOSA-N 403.508 1.305 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC1CC(OCC)C1 1722383284 MYZQHGCOAUVORE-ADKAHSJRSA-N 404.536 1.458 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2CCCN(C)CCOC)CC1 1722433896 GGDXHXLFBZBJIB-UHFFFAOYSA-N 400.527 1.570 30 10 HDEE C=C(Br)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1722484187 PIDIUEWXUOFMLE-STQMWFEESA-N 405.300 1.907 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCC(=O)N2)C1 1722538789 WOBLMHGPKBJJDI-DJPFJPOOSA-N 419.526 1.454 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[S@@](=O)C(C)(C)C)CC1 1722566098 JLSZHFFFNQAHPG-PVPMGCCUSA-N 414.597 1.884 30 10 HDEE C=CCCOCCn1c(N2CCN(C(C)=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1722627880 SHRJOBOWLVWOIB-NRFANRHFSA-N 421.542 1.580 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCCC[C@@H](COC)C1 1722737182 WHLXQHKOVLPUCK-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE CC(C)(C)n1ncnc1Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1722969202 MNICSCGBKUIEST-LSDHHAIUSA-N 400.487 1.296 30 10 HDEE CC(C)COCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1723524487 LKHXXSDSZUMREV-RHSMWYFYSA-N 416.523 1.393 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCCO1 1728266413 RZQGTAJARJFGGG-GOSISDBHSA-N 412.494 1.822 30 10 HDEE CCN(CC)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1 1728422249 ZCGCTWSNELKIGO-QZTJIDSGSA-N 406.531 1.259 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1731158117 HSWURAOCEHUQKM-WMQDPJMESA-N 400.483 1.686 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)c[nH]2)n1CCNS(C)(=O)=O 1740536678 KVVXJUUKGADDJK-JTQLQIEISA-N 415.317 1.043 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(N(C)C)cc1 1740599504 BYFGUAIEGXABDO-OAHLLOKOSA-N 404.540 1.266 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1740625344 FFZIOOQNRSSXQS-MSOLQXFVSA-N 421.567 1.242 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@](C)(O)CCC)[C@H]1CCS(=O)(=O)C1 1740626160 JWJPICJPMGVCNC-UWVAXJGDSA-N 424.567 1.350 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H]1CCN(CC(F)(F)F)C1 1740636791 DCLXXFNOORVJCW-HNNXBMFYSA-N 403.412 1.692 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](N2CCCC2=O)C1 1740876905 XMSCUFNDRSFJDO-IRXDYDNUSA-N 421.567 1.738 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CCOC(C)(C)[C@H]1C 1740989229 FQXVVWNOMAJCQR-OAHLLOKOSA-N 407.540 1.888 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)NCc1ccco1 1742834446 GEENTBHGTXDXTI-UHFFFAOYSA-N 406.450 1.089 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1748744979 ISUHMFVEYXUCCO-CYBMUJFWSA-N 407.400 1.653 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1748765593 MQZHKNPPQQJTMD-LJQANCHMSA-N 414.554 1.678 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1748825592 AJZMRLKZPARHGH-MRXNPFEDSA-N 401.492 1.040 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCOC2)n1C[C@@]1(O)CCOC1 1748945533 SYVHSPINJUMVSC-UWJYYQICSA-N 400.454 1.712 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)NC(C)C 1748956551 GRBDKGMYIDNNNO-UHFFFAOYSA-N 404.902 1.994 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccn2C)n1CCN1CCCS1(=O)=O 1749064186 PONVRSIMZKENBD-LJQANCHMSA-N 402.524 1.311 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](COCCOC)C1 1749269694 UULVUPIPSAGCRG-GJZGRUSLSA-N 418.947 1.422 30 10 HDEE C=C(Cl)Cn1c(N2CCN3C(=O)OC[C@]3(C)C2)nnc1[C@@]1(OCC)CCOC1 1749283769 BPCFYQUIZVZQDA-ZWKOTPCHSA-N 411.890 1.714 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC2CC2)CC1 1749677676 HPLFNHZQFFEYMY-UHFFFAOYSA-N 424.549 2.000 30 10 HDEE C=CCOc1ccccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOCC1 1749686963 HXJYDCUJHRALSH-OAHLLOKOSA-N 421.523 1.338 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC)n2CC2(NC(=O)OC(C)(C)C)COC2)C1 1749712313 ICMKVYGMWHMUDR-HNNXBMFYSA-N 407.515 1.916 30 10 HDEE C#CCN(c1nnc(-c2ccccc2F)n1C[C@@H](F)COC)[C@H]1CCS(=O)(=O)C1 1760185130 QFFIWCVHPPMKNB-CABCVRRESA-N 424.473 1.695 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCCSC)[C@@H]1CCS(=O)(=O)C1 1760188318 JOTSTLUYSQOTIJ-MRXNPFEDSA-N 422.580 1.449 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1760232149 UUQRWKWSCLJOTM-GOSISDBHSA-N 410.526 1.137 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1CCOc1ncccc1Cl 1760247564 GRPAUOKTGIOGCG-UHFFFAOYSA-N 413.869 1.949 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CC2CCN(C(=O)OC)CC2)CC1 1760263775 OJEQOJJTCODHLE-GOSISDBHSA-N 416.526 1.363 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC(C)C)CC1 1760268638 NJQAQARWWKVESZ-KRWDZBQOSA-N 416.526 1.010 30 10 HDEE C=CCN(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1760454202 AATVRMZOJFHMQU-UHFFFAOYSA-N 401.496 1.507 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OCC 1760464366 GIJJONFDWAIJPE-CQSZACIVSA-N 401.533 1.048 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1760510571 CYFANMBQXGYODZ-QXAKKESOSA-N 402.543 1.347 30 10 HDEE CC(C)NC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C#N)CC1 1761261450 HEIPUTAMUTYKRJ-UHFFFAOYSA-N 407.478 1.993 30 10 HDEE CC(C)NS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@](F)(C#N)C1 1761269737 CQGLCNDFSGHSGV-QGZVFWFLSA-N 407.475 1.110 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCN2CCC[C@H]2C)CCOC1 1761291536 LSSSODNZKIGAPB-DBXWQHBBSA-N 418.542 1.532 30 10 HDEE CCCc1nc(C)c(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)o1 1765614058 GUGRAPMVIIYZGL-TZMCWYRMSA-N 423.543 1.781 30 10 HDEE CCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1768148197 PWSUNTQRYAEETL-HNNXBMFYSA-N 407.482 1.686 30 10 HDEE COC(=O)[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCO[C@H]2C)C1 1769419252 GMFUVOXEVAUMQS-AVBTWRTFSA-N 411.462 1.356 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCC[C@@H]1C 1770201644 BAKKLOBXTKRTQP-BOSXTWCSSA-N 406.506 1.928 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@](F)(C#N)C1 1770788147 FNTNLZYOIJFCAS-RDTXWAMCSA-N 415.408 1.347 30 10 HDEE Cn1[nH]c(=NC(=O)c2ccnc(C#N)c2)nc1N1CCN(c2ccc(F)cc2)CC1 1851404469 RTHVUHMIXOJAMC-UHFFFAOYSA-N 406.425 1.222 30 10 HDEE COc1cccc(-n2ncc(C#N)c2NC(=O)[C@@H]2CC(=O)N(C3CCN(C)CC3)C2)c1 1853265804 MUJCNINQSWOMGI-OAHLLOKOSA-N 422.489 1.634 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](N(Cc1ccc(-n3ccnc3)cc1)C(=O)CC#N)CC2 1853418268 BMUMSTSNDRYJHZ-LJQANCHMSA-N 402.458 1.766 30 10 HDEE COc1cccc(C(=O)N2CCN([C@H]3CCN([C@H](C)CCC#N)C3)CC2=O)c1OC 1854955967 HQIHMLUPZPFTDL-SJORKVTESA-N 414.506 1.755 30 10 HDEE C[C@@H]1CN(CCCc2cnc3ncnn3c2)c2ccccc2N(C(=O)CC#N)C1=O 1855206059 HBIGWHBSKIFIEV-OAHLLOKOSA-N 403.446 1.986 30 10 HDEE CN(CCC#N)[C@H]1CCN(C(=O)c2nnn(-c3ccccc3)c2C(F)(F)F)C1=O 1856417496 ACMFZTGMDDMVSX-ZDUSSCGKSA-N 406.368 1.873 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1857037058 TZULOAVBWFKWQV-LJQANCHMSA-N 417.531 1.928 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)COc3ccccc3)C2=O)CC1 1857066696 QVAMPSQILZPSET-IBGZPJMESA-N 405.458 1.282 30 10 HDEE COc1nn(C)cc1C(=O)N1CC[C@H](N2CCC(C#N)(c3ccccc3)CC2)C1=O 1857300924 ZAVKGDXUTZBZEU-SFHVURJKSA-N 407.474 1.727 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@H](Oc4ncccn4)C3)C2=O)cc1C#N 1857439644 RIOCFYURAYHWNA-RBUKOAKNSA-N 405.458 1.941 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)c1 1858376149 XJYHKYSDKLVNOH-OAHLLOKOSA-N 402.410 1.641 30 10 HDEE C=CCN(CC=C)C(=O)CNC(=O)CCS(=O)(=O)c1ccc(OC)c(Cl)c1 1868739974 XWOXEWRQHGONPI-UHFFFAOYSA-N 414.911 1.829 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN(C)C)[nH]c(=Nc2ccc3c(c2)OCCO3)[nH]1 1871712500 IAYHTUHFQAXMGF-UHFFFAOYSA-N 411.510 1.382 30 10 HDEE C=CCNC1=C(c2ccccc2C)C(=O)N(Cc2ccc(S(N)(=O)=O)cc2)C1=O 1873102130 FGEMQNFQTQTKEJ-UHFFFAOYSA-N 411.483 1.698 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CC(Oc2cccnc2C#N)C1 1891369661 XCDSKANTLYTUAQ-UHFFFAOYSA-N 403.398 1.411 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCCN(C(=O)OCc3ccccc3)C2)C1 2054408606 TUCLVAJDRMNUBE-MSOLQXFVSA-N 406.508 1.858 30 10 HDEE CC1(C)OB(c2cnc(N3C4COCC3COC4)c(Br)c2)OC1(C)C 2116146439 VUBJFRLFJFGVKF-UHFFFAOYSA-N 411.105 1.747 30 10 HDEE O=S(=O)(NCc1cc(C#CCCO)cs1)N1CC(OCc2ccccc2)C1 2161941057 USTNWBGZJCWKPT-UHFFFAOYSA-N 406.529 1.717 30 10 HDEE CC(C)(C)OC(=O)NC1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174784277 MFYYZGAUEOPBIE-JWTXPHQPSA-N 420.557 1.478 30 10 HDEE CC(C)(C)OC(=O)NC1(CNS(=O)(=O)N2CCC(C#N)CC2)CCOCC1 2174784334 MSPOJTMCDZEZSO-UHFFFAOYSA-N 402.517 1.130 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](OCCNS(=O)(=O)N2CCC(C#N)CC2)C1 2174789070 MGTBAYRSNKIBOW-OAHLLOKOSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NCCn1cc(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)cn1 2243380113 UOUDZZRCWQZNLB-UHFFFAOYSA-N 404.276 1.981 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243386761 HENFFXKPYPCOLM-RYUDHWBXSA-N 408.308 1.740 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)C(C)(C)O 2244546856 RMVOUEHIDOOZRM-AWEZNQCLSA-N 410.320 1.792 30 10 HDEE COC(=O)[C@H](CC(=O)NC/C=C/B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2245264647 AFCGXSUIQWWJCS-LXKVQUBZSA-N 412.292 1.747 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OCC[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2253350920 MFUNVZJKXIZQIW-YCRPNKLZSA-N 420.315 1.763 30 10 HDEE C=CC1CCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1 2258190318 VAQANIPEPNXBIJ-QGZVFWFLSA-N 410.492 1.682 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4COC[C@@H]43)cc2Cl)OC1(C)C 2267353174 JQZOBBMMQDXKCQ-KOLCDFICSA-N 405.734 1.720 30 10 HDEE C[C@@H]1[C@@H](O)CCN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267703816 BYOQRSPVQMLASQ-KOLCDFICSA-N 407.750 1.845 30 10 HDEE C[C@H](O)[C@@H]1C[C@@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267704145 IZXIPPLLYIZTAB-QXEWZRGKSA-N 407.750 1.748 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CCC(N)CC3)cc2Cl)OC1(C)C 2267705859 NMJJQBFNOIRGTB-UHFFFAOYSA-N 406.766 1.813 30 10 HDEE C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C1CS(=O)(=O)C1 2281961393 MAOCSGAYBNPMHG-SECBINFHSA-N 419.761 1.864 30 10 HDEE CC1(C)OB(c2cncc(S(=O)(=O)N[C@H]3CCCC4(C3)OCCO4)c2)OC1(C)C 2282296644 DOMDLIBGZVOCEX-HNNXBMFYSA-N 424.328 1.345 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](CO)C[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282320179 DYAHFNMYQYHIHL-STQMWFEESA-N 401.359 1.747 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](O)C(F)(F)C1 2282326785 XZHKYTBYMDDTEG-LLVKDONJSA-N 409.285 1.356 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@]2(C)CSCCO2)OC1(C)C 2282334520 CRZJQHYUCQEXME-MRXNPFEDSA-N 419.399 1.848 30 10 HDEE CC(C)[C@@H]1NCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335889 VXIBNQQHHFNLOS-KGLIPLIRSA-N 400.375 1.712 30 10 HDEE C[C@H](O)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282490341 JNLNUSFDZCMDHI-LBPRGKRZSA-N 401.359 1.829 30 10 HDEE CCNC1CN(S(=O)(=O)c2c(Cl)cccc2B2OC(C)(C)C(C)(C)O2)C1 2282498521 FSOHFVDYJULGBN-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE C[C@H]1C[C@@H](NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCN1C 2282498950 LMXUKJMQVGGRJR-STQMWFEESA-N 400.375 1.808 30 10 HDEE C[S@](=O)CCCNS(=O)(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2282508316 UVQWSZTUPUWXJX-VWLOTQADSA-N 401.359 1.174 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)NC[C@H](C)CC1(C)OCCO1 2282582353 VNPLMGBRJSSLTD-CYBMUJFWSA-N 407.320 1.547 30 10 HDEE CN1CCOC[C@@H]1CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282642944 UJXGJJLZPCTIDP-NSHDSACASA-N 400.737 1.761 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H]1N(C)C 2282826331 QGGQNNCQTAYKTP-CHWSQXEVSA-N 400.375 1.727 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@](C)(CO)C1 2282827613 AVBPJNPIYSBFEM-QGZVFWFLSA-N 401.359 1.749 30 10 HDEE C[C@H]1[C@H](N)[C@H](C)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866719 NXRVLCXAUHUODU-TYNCELHUSA-N 400.375 1.794 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C[C@H](C)C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284394163 VLLDWCSDCKFIIJ-NSHDSACASA-N 403.331 1.697 30 10 HDEE C[C@H]1[C@@H](C(=O)O)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284395781 PLEHFEFRXIPCRC-QWRGUYRKSA-N 401.315 1.531 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3C[C@@H](F)[C@H](C(=O)O)C3)c2)OC1(C)C 2284397161 JIEWHKGVLFVIQM-GHMZBOCLSA-N 405.278 1.091 30 10 HDEE CC(C)(C)OC(=O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284402721 KUJVJXPJTJBSJU-UHFFFAOYSA-N 403.331 1.667 30 10 HDEE N#C[C@H]1CCCN(S(=O)(=O)N[C@H]2CCOC[C@H]2NC(=O)OCc2ccccc2)C1 2330588498 BSTKQSJPRFWPGS-FGTMMUONSA-N 422.507 1.140 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1N=Cc1cc(OC)ccc1OC 2331260650 VUJPHNPDFXPCJD-UHFFFAOYSA-N 421.523 1.985 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)C(C)(C)OC 2367786054 UQEXJPJCQONQMA-CABCVRRESA-N 402.557 1.863 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C[C@@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367793603 CVMIRWNLBVIKQX-OWCLPIDISA-N 401.525 1.733 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367808356 CADKATHLKDTSKP-BEFAXECRSA-N 402.557 1.457 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)s2)[C@@H](CC(N)=O)C1 2369319385 YIOMDXRLRHQAPQ-NSHDSACASA-N 414.509 1.105 30 10 HDEE C/C(=N\Nc1nc(SCC(=O)NCCO)n[nH]1)c1ccc(Br)cc1 59819642 NTMFHBQYTTXXGL-GIJQJNRQSA-N 413.301 1.604 30 10 HDEE C=C(C)COc1ccc([C@@]2(C)NC(=O)N(CC(=O)NCCCNC(C)=O)C2=O)cc1 96567203 HMVDZLRCEOUWIN-OAQYLSRUSA-N 416.478 1.051 30 10 HDEE N#Cc1cccc(-n2ccc(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)n2)c1 409701993 RXHICSSXBFTYIM-UHFFFAOYSA-N 406.490 1.418 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CCCN1C(=O)c1ccccc1 465493125 MRZBWTOQJKMGPA-APWZRJJASA-N 404.474 1.690 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C 472577202 AQRXSNOMZWQEOS-CYBMUJFWSA-N 405.469 1.285 30 10 HDEE Cc1cc(C)nc(-n2nccc2NC(=O)N2CCN(c3cccc(C#N)n3)CC2)n1 475012020 DPMGTFIGITXFMO-UHFFFAOYSA-N 403.450 1.900 30 10 HDEE N#Cc1c(CCCNS(=O)(=O)c2cnc3n2CCC3)nn(-c2ccccc2)c1N 475540186 CUDFASKCVUEEQA-UHFFFAOYSA-N 411.491 1.380 30 10 HDEE CC(C)(CCC#N)CNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 477913740 RVWZDWBVIRBDMV-UHFFFAOYSA-N 414.553 1.898 30 10 HDEE CCNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)Cc1ccc(C#N)cc1F)CC2 481080762 YZALFHXWSGHEQH-UHFFFAOYSA-N 423.491 1.888 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@@]2(O)[C@@H]3[C@@H]4[C@H]5[C@H]6C[C@@H]4[C@H]2[C@@H]6C[C@H]53)c1 487357225 ONBNNQTUIWZKCO-BYPXELQWSA-N 414.527 1.390 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCC[C@H](CNC(=O)CC(F)(F)F)C2)cc1C#N 489889615 XERJCNRHMPPURR-GFCCVEGCSA-N 404.414 1.731 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)CN3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)CC2)cc1 504704100 STXIXGVNPDPMJE-LVNJIZSUSA-N 405.454 1.735 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C(C)C)C1 508825499 FLAWPNWWEKCAHN-LSDHHAIUSA-N 415.585 1.375 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508999539 HGHIEHFXNKWFAO-MRXNPFEDSA-N 403.450 1.535 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CC(S(=O)(=O)NC3CCCC3)C2)c(Cl)c1 513367085 WWQXUCQXQHOSIP-UHFFFAOYSA-N 403.913 1.447 30 10 HDEE Cc1c(C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cccc1S(N)(=O)=O 513757731 QGDVGWBBZWNVIF-UHFFFAOYSA-N 412.515 1.862 30 10 HDEE Cn1nccc1C=c1sc(=C(C#N)C(=O)C2CCC2)n(-c2ccc(F)cc2)c1=O 522674094 SLZICHDHLIGDCM-UHFFFAOYSA-N 408.458 1.644 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N(C)C3CCN(c4cnccn4)CC3)CC2)o1 530309806 HLZKVDQHCYENQG-UHFFFAOYSA-N 409.494 1.989 30 10 HDEE C=CCc1ccc(OC[C@H](O)CN2CCN(Cc3nccn3C)CC2)c(OC)c1 532956063 WGJJHKFWTJUTBD-LJQANCHMSA-N 400.523 1.715 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)N(C)CCCc3[nH]nc(N)c3C#N)CC(=O)N2C)cc1 538256827 CGNXOGVERJFALH-KXBFYZLASA-N 410.478 1.483 30 10 HDEE CC(C)C(=O)N1CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC1 539460647 GIWYIJVLCCDQCH-FQEVSTJZSA-N 415.513 1.335 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cc1C#N 541953200 BYWTWNWMQHWVLM-CQSZACIVSA-N 424.548 1.847 30 10 HDEE CS(=O)(=O)N1CCc2cc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 544833374 HBSALEGGFZCNNP-UHFFFAOYSA-N 411.487 1.238 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC2CCN(Cc3ccc(F)cc3)CC2)CC1 563644262 ALMFDTZGUGSWMS-UHFFFAOYSA-N 417.529 1.420 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(CCOC)[C@@H]1CCOC1 566883632 IBGAUXCGWFFTNK-OAHLLOKOSA-N 420.539 1.666 30 10 HDEE CN(C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1Cc2ccccc2C1 569028387 AVHUGTAHMKETET-NRFANRHFSA-N 416.481 1.401 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 579415482 KJGIQYZSRBTDJM-HNNXBMFYSA-N 409.533 1.398 30 10 HDEE C=CCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N(CC)Cc1cn(C)nn1 580247217 DWIVMQXSWFDSQS-UHFFFAOYSA-N 405.466 1.533 30 10 HDEE CCOc1ccc(-n2c(=C(C#N)C(=O)NC)sc(=Cc3ccccc3)c2=O)cc1 603826290 DEIHPPYZELFMJQ-UHFFFAOYSA-N 405.479 1.547 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CCC[C@@H]1C(=O)NC 609169919 HQJIVHOMNASURD-CYBMUJFWSA-N 410.268 1.835 30 10 HDEE Cc1noc(CN2CCN(C(=O)C(=O)Nc3cc(C#N)ccc3OC(C)C)CC2)n1 610028987 NKIQCVALEOAUHC-UHFFFAOYSA-N 412.450 1.320 30 10 HDEE COc1ccc(S(=O)(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1NC(C)=O 613096300 ORZWCGRZLAWXBD-UHFFFAOYSA-N 412.431 1.907 30 10 HDEE CC[C@H](C)C(=O)C(C#N)=c1sc(=Cc2cnc(C)s2)c(=O)n1C[C@H]1CCCO1 726575087 PUHXPQFRIJHCFA-GXTWGEPZSA-N 417.556 1.972 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2OC)C1)[C@H]1CCS(=O)(=O)C1 729331723 GIQVUSHNONUAGJ-ZFWWWQNUSA-N 424.906 1.350 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C(C)C)n(C[C@@H]3CCCO3)c2=O)cn1 732561536 PAFIZHZVFHYTLD-HNNXBMFYSA-N 400.504 1.033 30 10 HDEE CC(C)NS(=O)(=O)c1cccc(CNC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732677409 YHUJDTORRMGFAM-QGZVFWFLSA-N 405.524 1.255 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2nccc3ccccc23)c1=O 740853607 WVGDOYCPRDDJON-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)c1 742346024 CWUNRNWZAKRNRW-GJYPPUQNSA-N 400.504 1.448 30 10 HDEE Cc1cc(N2CC[C@H](ON=C(N)c3ccc(N4CCC(O)CC4)cc3)C2=O)n(C)n1 744446040 MNNABBHMVKQPRY-SFHVURJKSA-N 412.494 1.132 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCOC[C@H]2C[C@H](O)c2ccco2)c1 751507264 NSWDASACWUGPMT-AEFFLSMTSA-N 420.487 1.709 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)OCC#Cc1ccc(Cl)cc1 762934260 ATXQJCSQWUMXON-CYBMUJFWSA-N 420.874 1.701 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1OCC[C@@H]2O 768470243 LBYTZAKERYWDIZ-SJCJKPOMSA-N 401.444 1.680 30 10 HDEE COc1cc(OC)cc(C(=O)Oc2ccc(C=NN3C(=O)CNC3=O)cc2OC)c1 770606555 BXJHJMFCRIVJBJ-UHFFFAOYSA-N 413.386 1.817 30 10 HDEE C#CCN(C(=O)C[C@H]1CSCCN1C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 772122679 YGGNWIHOXGFGEP-GJZGRUSLSA-N 416.565 1.378 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(CC1=CC(=O)n3c(nc4ccccc43)[C@@H]1C#N)C2 796520105 NJWSFSKWUYFGGZ-WJONJSRFSA-N 406.442 1.735 30 10 HDEE N#Cc1cc(C(=O)NS(=O)(=O)C2CN(C(=O)OCc3ccccc3)C2)ccn1 796748694 XUNZSNVZLVNHJL-UHFFFAOYSA-N 400.416 1.034 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 797030584 GSCCZWIMPRHDHG-OAHLLOKOSA-N 423.491 1.698 30 10 HDEE Cc1cc(C)n2nc(SCc3ccccc3C(=O)N[C@@H]3CCN(O)C3=O)nc2n1 820180468 YWDGWXBCCHMSNC-OAHLLOKOSA-N 412.475 1.753 30 10 HDEE C[C@H](C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 916775548 WGGFFJDEBWGNBW-DAXOMENPSA-N 403.460 1.068 30 10 HDEE CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)N[C@@H](C)CO)C(=O)[C@]12C 1075997212 BRVZONRXRINYIX-WFENMJSKSA-N 401.415 1.539 30 10 HDEE Cc1cc(C(=O)N2c3ccccc3CC[C@H]2C(=O)N2CCN(C)CC2)ncc1C#N 1125200699 VXWSZDFQMBOKSO-NRFANRHFSA-N 403.486 1.997 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCOC3(CCOCC3)C2)s1 1162402147 VMQXVFRLKWSMPJ-CQSZACIVSA-N 414.549 1.599 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(c3nccc(C#N)c3[N+](=O)[O-])CC2)cc1 1164021783 KVGJOHQLNKUUTD-UHFFFAOYSA-N 402.436 1.096 30 10 HDEE CC(C)N(CCCNC(=O)COc1nc2c(cc1C#N)CCCCC2)S(C)(=O)=O 1166706685 VXHXRMJVVDRKAG-UHFFFAOYSA-N 422.551 1.777 30 10 HDEE N#CC1CCC(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CC1 1167845334 UMJHLLLJHSLQSI-UHFFFAOYSA-N 418.519 1.654 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1CC2(CCOCC2)CO1 1171835576 JYBCSPTYSWQRQS-HNNXBMFYSA-N 421.519 1.207 30 10 HDEE CSCC[C@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1180610490 RJZOQAZILFOTIV-HRCADAONSA-N 407.536 1.720 30 10 HDEE C#CCN(CCCN1CCN(c2ccc(Cl)cc2)CC1)[C@@H]1CCS(=O)(=O)C1 1191985343 AFONHWRCAKVZFJ-HXUWFJFHSA-N 409.983 1.974 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(N3CCOCC3)CC2)cc1Br 1193245006 DMAQRHVQZJLZKT-UHFFFAOYSA-N 414.325 1.806 30 10 HDEE Cc1c(C#N)c(NC(=O)CN[C@H](C)c2nnnn2C)n(Cc2ccc(F)cc2)c1C 1198452298 YSNSNWBPIKFPJI-CYBMUJFWSA-N 410.457 1.977 30 10 HDEE C#CCNC(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CCN(C(=O)OC(C)(C)C)CC1 1221156068 XUKHZVWMEGIYCB-HOTGVXAUSA-N 405.499 1.197 30 10 HDEE Cn1ccnc1C(NC(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1)c1nccn1C 1231209942 ATLQEBROSICXEY-KRWDZBQOSA-N 405.462 1.898 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1233927362 GAEXJQJRKXYDFB-GFCCVEGCSA-N 405.929 1.456 30 10 HDEE CCS(=O)(=O)c1ccccc1CC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 1269302616 DCJVEZKLVMWFQH-UHFFFAOYSA-N 415.519 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@@H](C)N(C)C 1286279024 IUUFPOUBBCYKMM-JKSUJKDBSA-N 418.567 1.603 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1286315755 ZAUIEQOPQLYNKR-OAQYLSRUSA-N 423.477 1.760 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCSC1 1286433448 UQGPUJIBEJTZLE-ABSDTBQOSA-N 404.536 1.333 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOC[C@H]1C 1286446051 COGXECWJSHENCI-XLIONFOSSA-N 411.506 1.971 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(SCC)c1 1286451129 ILNYLSDUUGXGPK-CQSZACIVSA-N 422.580 1.903 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnccn3)n2C[C@H]2CCOC2)n1 1286471927 TVTROKPRXBNJLC-QGZVFWFLSA-N 422.493 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2snnc2C)CC1 1286490329 PTUUMSOSCATRBJ-UHFFFAOYSA-N 410.507 1.447 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CCNC(=O)c1ccc(C)cc1 1286526050 OUIPROGJYFUGLB-WZONZLPQSA-N 420.517 1.960 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)CNC(=O)C2 1286823613 PEBNMQHQPAEZCY-UHFFFAOYSA-N 406.556 1.442 30 10 HDEE C[C@@]1(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCS(=O)CC2)COCCO1 1289052062 NFISFDMMQOFTFL-LJQANCHMSA-N 401.492 1.191 30 10 HDEE C[C@]1(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1289066168 LSXFZMCLRXPCNB-NQIIRXRSSA-N 424.461 1.263 30 10 HDEE N#Cc1c(CCCNC(=O)C2CN([C@@H]3CCOC3)C2)nn(-c2ccc(F)cc2)c1N 1290813184 YVTDKZKNUVVVIW-QGZVFWFLSA-N 412.469 1.235 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)C1CC1 1291524113 GHWDRZVURORCLM-CYBMUJFWSA-N 409.494 1.853 30 10 HDEE COCCN(CC#N)C(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1298927414 CEPLNULCOXRYBG-UHFFFAOYSA-N 419.459 1.814 30 10 HDEE C#CCCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1300425780 XHHXKSNFBULGEH-DYESRHJHSA-N 403.527 1.695 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1c(CC)noc1C)[C@@H]1CCS(=O)(=O)C1 1300500857 FHOGZNDAIWKUJS-MRXNPFEDSA-N 417.535 1.764 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cccnc2)n1CCc1nnc2n1CCCCC2 1300540851 FDLBRGIIDPRPIB-UHFFFAOYSA-N 414.517 1.897 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1C[C@](C)(O)CCOC 1300587529 WINMPQABYRGPHN-HSZRJFAPSA-N 420.517 1.767 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2c(C)noc2C)CC1 1300731740 ICUDHCUBBWFODI-GOSISDBHSA-N 412.494 1.749 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CCOC[C@H]1C 1300780763 WJDUVWJKHXLSBW-PASDCYSWSA-N 409.556 1.553 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCOC[C@H]1C 1300899617 HMBDJWKPIRSQNT-CVEARBPZSA-N 414.576 1.011 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1OC 1300939114 HEMRDTNCFVJOIO-UITAMQMPSA-N 406.504 1.910 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1CCC(=O)N(C)C 1301421490 XLOOZUAQRPTVHX-UHFFFAOYSA-N 401.467 1.791 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(=O)N(C)CC)C1 1301566769 BYIAGIAKCGTTBU-BQFCYCMXSA-N 407.515 1.262 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4C(=O)NC[C@@H]4C3)n2CCOCC(F)F)cc1 1302989675 QSFCOHUCMXDPEN-OAHLLOKOSA-N 417.420 1.312 30 10 HDEE C[C@@H](Cn1c(Cc2ccccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1303729818 YCANLAVFQXGFKN-HNNXBMFYSA-N 418.505 1.749 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1309604524 GOCONAHHWJXKHK-QGPMSJSTSA-N 421.519 1.748 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCC[C@]2(O)C(=O)Nc3ccccc32)c1 1309879869 DPRUMVUUNJYHLW-HXUWFJFHSA-N 415.471 1.111 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1Cc1ccc(C(N)=O)cc1 1316282900 SLVWMFDIBHCYAV-OALUTQOASA-N 424.505 1.889 30 10 HDEE CSCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1 1316459405 KWYBDMNJAUTNGN-SWLSCSKDSA-N 404.537 1.473 30 10 HDEE CSCCCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1316472273 WMDUWNAYGWBMCD-ZDUSSCGKSA-N 409.537 1.882 30 10 HDEE CSC[C@@H](C)C(=O)N1CCC(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)CC1 1354425639 AXWAJSYDDHVYJH-CYBMUJFWSA-N 420.539 1.294 30 10 HDEE C#CCSCC(=O)N1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1 1356076892 HZMIHSJJIPMKQQ-UHFFFAOYSA-N 403.529 1.743 30 10 HDEE C=CCc1cc(CNC(=O)c2cn(C[C@@H]3CNC(=O)O3)nn2)cc(OC)c1OC 1357246999 RLTVAMNJEPWNSW-AWEZNQCLSA-N 401.423 1.062 30 10 HDEE C#CCCCn1c(-c2cccc(OC)c2)nnc1N1CCC(NS(C)(=O)=O)CC1 1358922715 OGLNXXAUIYSZSY-UHFFFAOYSA-N 417.535 1.885 30 10 HDEE C#CCN(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(N2CCOCC2)cc1 1358939207 SBBNSEYSPMVSDJ-SFHVURJKSA-N 413.522 1.956 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@]1(O)CCN(C)C1 1358994196 HGDJLEHPZWRJNI-NZQKXSOJSA-N 421.501 1.320 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CCN(C)C(=O)OC(C)(C)C 1359018715 ZUNATUAQKVZMBV-UHFFFAOYSA-N 422.530 1.369 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@]1(O)CCOC1 1359019348 SANNIUGJOXFTNQ-HRAATJIYSA-N 418.469 1.795 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2Cc2cnn(C)c2)n1 1359028061 GAHANKQNLBULGH-UHFFFAOYSA-N 408.510 1.810 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1359048190 IGSADPQLCULCSM-OAHLLOKOSA-N 422.555 1.498 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1359058500 GEOWADMLPAFVON-JKSUJKDBSA-N 421.592 1.888 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(C)n(C)c1=O 1359282536 FSUUYLAYQLHBHP-UHFFFAOYSA-N 408.506 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](CCC)C1 1359298713 JMFLWTOOZUEDCT-AWEZNQCLSA-N 416.482 1.313 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2=CCCOC2)C1 1360784872 LKJAXNAADHZNSY-QFBILLFUSA-N 405.524 1.657 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1439106481 QCWLLRSVQIBUEN-NSHDSACASA-N 400.298 1.261 30 10 HDEE C=CCC[C@H](NC(=O)CN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O)C(=O)OCC 1449691525 FUDMMKHCVUPWRX-KKSFZXQISA-N 417.462 1.476 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1 1450337748 FNZFCAAYQDQSPE-PKOBYXMFSA-N 402.447 1.052 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C)c3nc(OC)ccc32)cc1 1455943489 RFIQQNCJJKXGPQ-UHFFFAOYSA-N 402.476 1.651 30 10 HDEE C[C@H](Nc1[nH]c(=O)n(C)c(=O)c1C#N)c1ccc(Br)cc1OCCCO 1458406368 JYSMYAADFNOCCA-JTQLQIEISA-N 423.267 1.642 30 10 HDEE C=C(C)C[C@H](NC(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)C(=O)OC 1462163525 LKFFNDIWJFNCES-INIZCTEOSA-N 419.503 1.472 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 1463640898 NHXIDIRIIJNDKD-HIFRSBDPSA-N 413.434 1.268 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN([C@@H](C#N)c3ccccc3)CC2)[C@H]1c1cccnc1 1463796290 PMOAYZKSQFIWLF-NNWRFLSQSA-N 419.485 1.389 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C(F)(F)c2ccccc2C#N)CC1 1463995318 COFDPCOVSKAYCT-UHFFFAOYSA-N 424.429 1.788 30 10 HDEE Cn1c(S)nnc1CCNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1464961811 HBRRMFHVKMTNDO-NSHDSACASA-N 404.883 1.341 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)cc2)CC1 1465872078 BGPQWRWQDBUWRL-UHFFFAOYSA-N 416.279 1.892 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2C[C@@H](c3ccccc3)[C@@](F)(CO)C2)cc1 1468526178 LUBFROZKHKEXQY-FPOVZHCZSA-N 416.474 1.800 30 10 HDEE C=CC(C)(C)CCNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 1470903840 GHMAFROMNKIMIW-IYBDPMFKSA-N 402.561 1.270 30 10 HDEE C#CCC[C@@H](O)CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 1471322240 RAZCXKHPBZVQDZ-DLBZAZTESA-N 409.527 1.866 30 10 HDEE C[C@H]1Cn2nc(C(=O)NC[C@H]3CCCN(CC#N)C3)cc2CN1C(=O)OC(C)(C)C 1472518666 XOKYDTPWGRFFTL-JKSUJKDBSA-N 416.526 1.988 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(S(=O)(=O)NCc2ccccc2)CC1 1473617837 DBOSZKMPLTXHFD-FXAWDEMLSA-N 421.567 1.082 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N1CCC(NC(=O)OCc2ccccc2)CC1 1475596020 CQAUZBXTMJBPAD-UHFFFAOYSA-N 424.523 1.484 30 10 HDEE CN(Cc1ccccc1)c1nnc([C@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1503485087 PXPXYBXSGMMREH-UFVMTTLYSA-N 422.489 1.945 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1507569880 KJBZHQXTYYDNOO-NPPFBWRTSA-N 415.538 1.977 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507679561 XYUOGTKKBDAIOZ-VQIMIIECSA-N 410.540 1.215 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC2CCOCC2)CC1 1507721107 YMUHYZZXJYEBPR-JOCHJYFZSA-N 417.554 1.502 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC(C(=O)NC)CC1 1507798668 HKHSKGZKFXADIY-FUHWJXTLSA-N 411.510 1.679 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1507956908 IHYMIBGEWUBEJC-DLBZAZTESA-N 416.526 1.354 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@](C)(O)c2ccco2)C1 1508109221 PIKOWWMWRODFJX-KKSFZXQISA-N 415.494 1.796 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(N(C)C)CCOCC2)C1 1508121763 GJAXJHDIQYLJIO-SJORKVTESA-N 418.542 1.121 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccc(C#N)cc1 1508139492 AZBRUSJTQIGHCS-SFHVURJKSA-N 415.519 1.891 30 10 HDEE CC(C)(C)n1ncnc1Cn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1508621961 FVAGAZNMQMJSEH-MRXNPFEDSA-N 407.482 1.387 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC(=O)N(C)CC)CCOC1 1516179247 GXECOKPSVHVZAV-HXUWFJFHSA-N 404.515 1.539 30 10 HDEE COC(=O)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCCCCO)C1 1517682666 MMRACKLMIMKQAB-KRWDZBQOSA-N 413.478 1.891 30 10 HDEE COCCC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)CC1 1518998852 QJMJACBSYXYJOB-UTKZUKDTSA-N 419.526 1.864 30 10 HDEE C#C[C@@H](NC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)c1ccc(Br)cc1 1528082023 SPKHYMDSSKBRGL-OAHLLOKOSA-N 420.288 1.737 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccn(CCF)n3)CC2)cc1 1536030085 FASWBSHGWIEPBL-UHFFFAOYSA-N 405.455 1.764 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@](C)(C(=O)N(C)C)C(F)(F)F)CC2)o1 1538632017 AQTZVUPSIRGTAS-MRXNPFEDSA-N 401.389 1.597 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C1CC1)N(C)C 1539002225 BFDDRGQBQFKFOD-HNAYVOBHSA-N 419.533 1.990 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccccc1C 1539148352 JXDOHKSUKYXIRP-CVEARBPZSA-N 405.524 1.734 30 10 HDEE C#CCN(c1nnc(C(=O)NC(C)C)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1539200926 SWPZKPWQSMEXAC-INIZCTEOSA-N 421.567 1.623 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCC1 1539291651 UQVHWKHKPXZLAT-UHFFFAOYSA-N 405.506 1.873 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1539343217 HIXUHMGLUKOEGJ-LSDHHAIUSA-N 423.514 1.954 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2C[C@H](C)N2CCN(CC)CC2)CC1 1539430269 IEKDBCTUTQPYGM-UXHICEINSA-N 401.603 1.573 30 10 HDEE C#CCSCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1539499502 LPHXWBUEJJGGND-GOSISDBHSA-N 421.530 1.739 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCNS(=O)(=O)CC 1539552266 MTKULQATWBHCNM-GOSISDBHSA-N 403.512 1.057 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1OC 1539668818 GPKGAESMURQVHY-GVDBMIGSSA-N 412.556 1.634 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1540169489 FBIPVQVLANQZLT-WZQKQDCOSA-N 412.581 1.660 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(C(=O)NC)CC1 1540866639 VCMZFWNVPKVOGF-UHFFFAOYSA-N 417.901 1.258 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCc2cccc(C(N)=O)c2)C1 1540889555 OTVBQLUUIDIWRC-SFHVURJKSA-N 419.489 1.858 30 10 HDEE N#Cc1cn(CCC(=O)NCCCC(=O)Nc2ccc(Cl)cc2)c(=O)nc1O 1542143421 LXVDKPRCWZZFRC-UHFFFAOYSA-N 403.826 1.399 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 1543259931 IXMSCZVXSGQYPN-AWEZNQCLSA-N 417.428 1.916 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)s1 1543298870 QWMURKDINPPJIG-UHFFFAOYSA-N 418.504 1.678 30 10 HDEE COc1cc(C(=O)N[C@@H](C(=O)N(C)Cc2nnc3n2CCC3)C(C)C)ccc1C#N 1543653513 GKGDUAFFFONBAN-LJQANCHMSA-N 410.478 1.518 30 10 HDEE CCN(c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1/N=CC=CC1=O)C(C)C 1547339892 MELWEWKQRAEKDC-ICFOKQHNSA-N 403.487 1.177 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@@]2(O)CCSC2)c1 1555011055 ABUXNIGYMWFLNJ-LPHOPBHVSA-N 401.492 1.550 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1cnn(-c2ccccc2)c1I 1556750505 NDJCIGANPMLGBK-NSHDSACASA-N 412.187 1.197 30 10 HDEE N#CCCN1CCN(C(=O)Cc2csc(NC(=O)Cc3cccs3)n2)CC1 1557981077 NATRDCHIZXKOJP-UHFFFAOYSA-N 403.533 1.986 30 10 HDEE COCCc1ncc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)s1 1560669038 APSIIEHVYPXDCG-UHFFFAOYSA-N 406.533 1.710 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1565157101 YIIIARMCQAULQX-ZWKOTPCHSA-N 408.543 1.751 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1 1565642471 GFBPIUMDQNPFCK-UHFFFAOYSA-N 419.547 1.110 30 10 HDEE N#Cc1ccccc1/C=C\C(=O)N1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 1567787629 SXXCHLSERYNXJG-WAYWQWQTSA-N 416.425 1.549 30 10 HDEE C=C(C)CCNC(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1 1569368789 TWSNPZVMOLXUTH-AWEZNQCLSA-N 421.441 1.700 30 10 HDEE COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCCc3nc(C#N)ccc32)C1=O 1586384482 CFEHJXCFBXHPDX-JOCHJYFZSA-N 419.441 1.708 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1587758965 LFSCYRHOUPXPLB-INIZCTEOSA-N 407.540 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(OC)CCC1 1588109856 PZXLCQDMMLDZIN-UHFFFAOYSA-N 416.489 1.953 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CC2)CC1 1588199414 NWBJRPUZLMKOCZ-UHFFFAOYSA-N 415.437 1.349 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1c(C)noc1C 1589216628 TXNKDLNGUFAJOA-DNVCBOLYSA-N 403.508 1.825 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOC[C@H]1C 1589546360 PUIOUJQEQQLANV-VQHPVUNQSA-N 410.540 1.387 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)NC)CC1 1589579896 MNYOSOMTIYVQPS-ZACQAIPSSA-N 404.515 1.572 30 10 HDEE C=C(C)COCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C(=O)OC)C1 1593776002 GDLOAJPPXGBOEL-IKGGRYGDSA-N 408.499 1.594 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCCc3ccccc3)n2Cc2nnn(C)n2)C1 1595744000 IKRSVJCTAOKHMA-SFHVURJKSA-N 408.510 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCC(CNC(C)=O)CC1 1595761161 YKMIYWFRRRQUSX-HNNXBMFYSA-N 411.572 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1595784972 PGKXOMVLJXMXFY-JWTNVVGKSA-N 417.535 1.538 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CC)C1 1595812057 LSPLGORYYAAISA-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(Cc4ccccn4)C3)C2)nc1 1596978475 OSVXMLKXQDBPHG-HKUYNNGSSA-N 404.474 1.800 30 10 HDEE C[C@]1(CC(=O)Nc2ccc(C#N)cc2I)CCS(=O)(=O)N1 1598243435 NWBMALMMHLRCDC-CYBMUJFWSA-N 419.244 1.573 30 10 HDEE Cn1c(N[C@@H]2CC[C@H]3CCN(C(=O)OC(C)(C)C)[C@H]2C3)c(C#N)c(=O)n(C)c1=O 1613077968 GOLSPBCCIDPZHD-CFVMTHIKSA-N 403.483 1.546 30 10 HDEE C#CC[C@]1(C(=O)NC[C@]2(OC)CCS(=O)(=O)C2)CCCN1C(=O)OC(C)(C)C 1616870277 KPQIIDWRSMTINA-RTBURBONSA-N 414.524 1.099 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@@H]2CCCCO2)n1CC(=O)N1CCOCC1 1617868522 DNCHOUNQWFXWAD-IBGZPJMESA-N 424.505 1.887 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)/C=C\c1ccccc1C#N)CCS2(=O)=O 1618580615 GUKRPJFJPCQHMA-PWUJBJEKSA-N 402.472 1.587 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)c2cn(CCNC(=O)OC(C)(C)C)nn2)n1 1618758565 HJIHDOWANYOKHI-UHFFFAOYSA-N 401.471 1.295 30 10 HDEE CO[C@@H]1CCC[C@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1619490395 ALUWJQPTDSMJOJ-JENIJYKNSA-N 424.505 1.855 30 10 HDEE COC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@]2(C)CN(C)C2=O)C1 1619723783 SWGRHTDBENWTLP-HTAPYJJXSA-N 424.505 1.680 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@]23CCOC3)CC1 1623969890 VUSRNCSTDLIGHT-CVDCTZTESA-N 411.502 1.830 30 10 HDEE C#C[C@H](NC(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1ccc(Br)cc1 1625078451 YYMYBZMCPKGPHV-XMELGKRDSA-N 402.248 1.350 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N 1629506577 MUMWIYXDKOUOKE-LLVKDONJSA-N 414.509 1.289 30 10 HDEE C#CCN(CC(=O)N1CCN(C)C[C@@H]1CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1630979383 ZAXHUJCYYAXGKL-INIZCTEOSA-N 424.542 1.524 30 10 HDEE C=CCO[C@H]1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OCc2ccccc2)C1 1631483530 WRKWVJVYGFZHCI-ZWKOTPCHSA-N 424.519 1.520 30 10 HDEE CC(C)[C@@H]1C(=O)NCCN1C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1632491223 QLOZIVNVTXDPGX-KXSVDRQTSA-N 404.511 1.756 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H]2CCC(=O)N2Cc2ccc(Br)cc2)CC1 1633559999 SMZDPSGNCCZRKM-INIZCTEOSA-N 405.292 1.927 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697106 IKYBYEJYUNSSCI-XLPNERPQSA-N 411.524 1.467 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21 1636683348 CSNJHKXVERDWQU-DLBZAZTESA-N 401.492 1.329 30 10 HDEE Cn1cc(-n2cc(C(=O)N3CCC[C@H](Nc4ccc(C#N)cn4)C3)ccc2=O)cn1 1638906336 QAVGLGKTFDYLKQ-KRWDZBQOSA-N 403.446 1.554 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](CO)C(F)(F)F 1640009965 BGDOVDXJGAVBPL-WCQYABFASA-N 407.414 1.323 30 10 HDEE N#Cc1cn(CCC(=O)N2CCC[C@@](O)(c3ccc(Cl)cc3)C2)c(=O)nc1O 1640704915 UKIHXYFNLUQIAE-IBGZPJMESA-N 402.838 1.374 30 10 HDEE Cc1oc(NC(=O)[C@H](C)N2CCc3sc(S(N)(=O)=O)cc3C2)c(C#N)c1C 1643897669 CANJUJMUCFYPDV-JTQLQIEISA-N 408.505 1.862 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CSc2nnc3nc[nH]n23)CC1 1644259486 IOKOYMJNRDAGHP-AWEZNQCLSA-N 400.443 1.093 30 10 HDEE C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C[C@@H](O)CC3(C#N)CCOCC3)CC2)C1 1644815290 JAVVTAMFZVUIAE-AABGKKOBSA-N 406.571 1.370 30 10 HDEE N#Cc1cn(C2CN(C(=O)C[C@H](O)c3cc(Cl)cc(Cl)c3)C2)c(=O)nc1O 1653759604 DGYSZXBXQWMAJI-AWEZNQCLSA-N 409.229 1.634 30 10 HDEE CN(OCC(F)(F)F)C(=O)CNC(=O)N1CCN(c2cccc(F)c2C#N)CC1 1674574470 HOUFJUPWGUGUFN-UHFFFAOYSA-N 417.363 1.481 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](c2ccc(F)cc2F)C2CC2)CC1 1678231415 VFIZIOBKEUUNPX-KRWDZBQOSA-N 412.462 1.211 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H](C)[C@@H](CNC(=O)OC(C)(C)C)C1 1679365918 RMAHXDPPVMICTR-CABCVRRESA-N 403.545 1.780 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CCN(Cc2ccc(OC)cc2OC)C1=O 1680972949 JTJOZWZEBBLBKV-WBAXXEDZSA-N 403.479 1.695 30 10 HDEE C#C[C@H](CCC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1683684860 ILPFKVIOAWIWPW-QGZVFWFLSA-N 422.551 1.248 30 10 HDEE C[C@@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686773546 NPVXZLPFCUKQGM-KPHUOKFYSA-N 418.494 1.828 30 10 HDEE C#CC[C@H](COC)NC(=O)NC[C@H](CO)Cc1cc(Br)ccc1OC 1687208558 OGZHMMLHRUXDRX-CZUORRHYSA-N 413.312 1.946 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1690058793 BGAJYCJTFLFUIL-CQSZACIVSA-N 415.523 1.467 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(O)CCc2ccccc21 1690092252 BCDFPRANFOMRHJ-HSZRJFAPSA-N 423.517 1.434 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCCN(CCC)C(=O)C1 1690670597 FNZVOEXQTVNZAW-INIZCTEOSA-N 404.515 1.271 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C3CCCC3)n2CCN2CCN(C(C)=O)CC2)C1 1690699546 GLTQVYJGGBUYMS-FQEVSTJZSA-N 416.570 1.881 30 10 HDEE CC1(C)COCCN1CCn1c(CC2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1692869219 CLDPVVSODHZBKZ-SFHVURJKSA-N 402.543 1.850 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1695424022 AQCYXPQXGHPOPC-NRFANRHFSA-N 409.494 1.435 30 10 HDEE COCCn1cc(Cn2c(C(=O)Nc3ccccn3)nnc2N(C)[C@@H](C)CC#N)cn1 1698070351 BXHRMEGAKMOOKQ-HNNXBMFYSA-N 423.481 1.555 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C1CC1 1698168467 MLXPARIVQYKXJC-GJZGRUSLSA-N 412.498 1.714 30 10 HDEE COCCOCCn1c(Cc2ccccc2OC)nnc1N1CCO[C@H](C#N)C1 1698226211 JIXPWCDGFXLFSD-QGZVFWFLSA-N 401.467 1.269 30 10 HDEE CSCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1698431545 SUXYYCCIWRLLNC-GOSISDBHSA-N 414.535 1.911 30 10 HDEE N#Cc1ccc(Cn2c(Cc3c(F)cccc3F)nnc2N2CCNC(=O)CC2)o1 1698488163 KYVQIOYYFBNVGR-UHFFFAOYSA-N 412.400 1.986 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1705480435 USWZMZGBOXFPGT-NNMXDRDESA-N 419.570 1.745 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 1705533536 YHXWUTOHSOEUDS-SJORKVTESA-N 421.567 1.479 30 10 HDEE C#CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCC1CC1)[C@H]1CCS(=O)(=O)C1 1705559939 CBDZQHBYINASJN-FXAWDEMLSA-N 422.551 1.357 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1C[C@@]1(N(C)C)CCSC1 1705585058 JHJZHXMCTGZQLU-NRFANRHFSA-N 411.579 1.650 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1Cc1ccc(C)n(C)c1=O 1705629722 SQIWKHFYVYFDTL-UHFFFAOYSA-N 406.490 1.405 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H]1CC12CCOCC2 1705630238 LIGPUQVMMFGIAP-QGZVFWFLSA-N 401.511 1.303 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CCCC3)n2CC(=O)N(C)C)CC1 1705650227 NDJKGSISRMGIKT-UHFFFAOYSA-N 400.527 1.065 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1705657595 KGEZIZWSIDJOSZ-MRXNPFEDSA-N 413.551 1.690 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H](C(=O)OC)C1 1705667933 ZLNNMEHHJZSJJN-IKGGRYGDSA-N 422.551 1.758 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C(N)=O)c1 1705820004 YPHQNUJKISUSAB-QGZVFWFLSA-N 417.535 1.882 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C)cc1F 1705843369 CYQYEISYXHSENS-KRWDZBQOSA-N 423.514 1.729 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C)n2CC2(N3CCOCC3)CC(OCC)C2)C1 1705915607 FIVZUJLJXOSXEF-JSOIOWGOSA-N 405.543 1.638 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1705931830 BRTUYTAWFOAEQD-JKSUJKDBSA-N 406.556 1.793 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1705939121 AAZAPFGSIAOGSX-JKSUJKDBSA-N 409.556 1.720 30 10 HDEE C=CCSCCn1c(Cc2cccnc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1705947221 FACMIKPOJYVDRM-GOSISDBHSA-N 416.551 1.524 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1722366715 JXPJJKGWAYSCEI-QGZVFWFLSA-N 404.540 1.308 30 10 HDEE C#CCN(CCOC)c1nnc(CC)n1Cc1ccccc1CN1CCC(O)CC1 1722426229 DCIPQBAJYRKABG-UHFFFAOYSA-N 411.550 1.932 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC[C@H]1CCOC1 1722449167 RBXNKJYOCYWUQK-HNNXBMFYSA-N 401.467 1.518 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1722702183 GOQUFKABZPXFLX-QGZVFWFLSA-N 422.493 1.025 30 10 HDEE C=CCOc1ccccc1Cn1c(-c2cnn(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1722707244 KGPCWMLUHFZXQQ-INIZCTEOSA-N 421.505 1.959 30 10 HDEE CCOC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@]2(O)CCN(C)C2)C1 1729108451 GSDFPBGNVBPCSW-PGRDOPGGSA-N 410.522 1.746 30 10 HDEE CN(C)C(=O)CC1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ccc(C#N)o2)CC1 1729300111 HMJXYKVUPRAGFW-MRXNPFEDSA-N 412.494 1.990 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 1729724934 XZLQBDHAUQEOEO-CRAIPNDOSA-N 412.494 1.726 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCCCN2CCOCC2)CCO1 1731190462 QVGKUCSWOIWYTN-MSOLQXFVSA-N 404.515 1.013 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1740532071 XKBIHESOFSIPHJ-SJORKVTESA-N 408.506 1.927 30 10 HDEE C#CCCCn1c(COc2ccccc2OC)nnc1N1CCS(=O)(=O)CC1 1740597411 NXTJNKMDNPRMMV-UHFFFAOYSA-N 404.492 1.514 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccco1)N(CC)CC 1740609854 PFFGKBFXIIZKRU-DLBZAZTESA-N 419.551 1.926 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1740620234 CKAGHUVCORSUKV-KRWDZBQOSA-N 417.535 1.717 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC(=O)NCC(F)F 1740647340 MNJKJBQQJOOIEM-UHFFFAOYSA-N 401.417 1.798 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CC2(S(C)(=O)=O)CCC2)CC1 1740694107 YQPCXSIABHEQMF-UHFFFAOYSA-N 416.551 1.006 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCCCC2)C1 1740715655 DDRHIHNCPOQNIZ-IAGOWNOFSA-N 402.568 1.660 30 10 HDEE C#CCSCCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C 1740723349 PMUNNXLOQRTINT-UHFFFAOYSA-N 418.611 1.686 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccco1 1740732175 UHMZKGDGFQJMPJ-QFBILLFUSA-N 419.507 1.244 30 10 HDEE C=C(Br)Cn1c(COCC)nnc1N1CCC(OCC(N)=O)CC1 1740748200 BTKUSGODLDSBRP-UHFFFAOYSA-N 402.293 1.194 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](COC)C1 1740763521 MBFYJTZHRWRQEO-QKLQHJQFSA-N 403.527 1.854 30 10 HDEE C=C(C)COCCn1c(Cc2csc(C)n2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1740794195 SDPMMJOQVSXOTB-INIZCTEOSA-N 418.523 1.867 30 10 HDEE C=C(Cl)Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1740800020 DJOXXQPMJFIRSM-CYBMUJFWSA-N 407.862 1.536 30 10 HDEE C=CC1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1740836911 ULVOPLMJIMIHTQ-UEXGIBASSA-N 406.527 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1C[C@H](C)O[C@@H](C)C1 1740955487 VVTHDDPIYAKDRJ-GJZGRUSLSA-N 413.478 1.632 30 10 HDEE CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1745066751 NHSNPTKWGHYRSA-KOFUXLBCSA-N 416.482 1.271 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1748712451 HSSIGZOSEWXTLV-MRXNPFEDSA-N 402.524 1.942 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCN1CCOCC1 1748790663 KPPGVGQGLUHHPR-UHFFFAOYSA-N 424.553 1.244 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748822192 ZYWFKBTYMFIADA-GOSISDBHSA-N 421.567 1.164 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ncnn2C(C)(C)C)CC1 1748993810 MWRLSQSHIWRWQB-UHFFFAOYSA-N 419.537 1.414 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(OC)c1OC 1749464695 BTHNPYMWZSFTAO-ZDUSSCGKSA-N 409.512 1.576 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCCS2(=O)=O)C1 1749719479 WFSIGZXDVUJNLV-BRWVUGGUSA-N 410.540 1.878 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCC(=O)N2)n1Cc1nccn1C(F)F 1749830056 DHIXWCYTAFOHSF-GFCCVEGCSA-N 408.413 1.236 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1751103611 ISXLJNTVWOMUHS-FKEVTRRJSA-N 417.514 1.093 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1CCc1ccn(C)n1 1752415970 ADRNDFLIHMQPEF-INIZCTEOSA-N 407.478 1.930 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCC(=O)NC)CC1 1760261673 PKIULWHMQZUIJQ-UHFFFAOYSA-N 402.449 1.038 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1760356577 QZMODSIDGXBUFT-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)s1 1762830431 FVKLBUQLMAOJRG-FQEVSTJZSA-N 422.518 1.981 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@](C)(O)[C@@H](C)CC 1764187029 BJVPOIMDFSYKFK-NBQZKYEYSA-N 406.531 1.722 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](C)O[C@H](C)C1 1764697184 NNTKLWHISGAYFI-HZPDHXFCSA-N 412.494 1.821 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2cc(C)nn2C)CCOC1 1765879344 GXIAHVGSBBFCSN-OALUTQOASA-N 403.462 1.462 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(F)F)CCOC1 1765922995 LXAYTRQRRZTONP-KDOFPFPSSA-N 415.441 1.331 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H](C)c1nccs1 1770052741 UQCRNXYKIVCLQP-ZNMIVQPWSA-N 406.512 1.991 30 10 HDEE N#CC1CCN(c2nnc(Cc3cccnc3)n2C[C@H]2CCCCS2(=O)=O)CC1 1771535228 FJMJEQOINRZLML-GOSISDBHSA-N 414.535 1.971 30 10 HDEE N#CCCN(C(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1cccc(Br)c1 1849634612 HERBLLWZPOTMLC-GFCCVEGCSA-N 415.313 1.611 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccc(C(=O)Nc3nc4n(c3C#N)CCCC4)cc2)CC1 1850539012 GFDDIIPLUBHRAB-UHFFFAOYSA-N 420.473 1.648 30 10 HDEE COc1cccc(N2C[C@@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC2=O)c1 1851780402 AAYZWNBVYFTXOX-HNNXBMFYSA-N 406.446 1.059 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)C1 1851793507 OFYBHWMEBHDFBM-CABCVRRESA-N 404.423 1.253 30 10 HDEE CC(C)[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)N1CCN(CCC#N)CC1 1852650180 YSEQVYOINQCRBC-QGZVFWFLSA-N 412.943 1.701 30 10 HDEE CC1(C)NC(=O)C[C@H]1C(=O)O[C@H](COc1ccc(C#N)cc1)CN1CCOCC1 1852770577 NKPUALDHLXESBU-ROUUACIJSA-N 401.463 1.096 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)COCc3nc4ccccc4s3)C(=O)C2)C1 1853705672 ZDIHUYVPLNAUBI-INIZCTEOSA-N 414.531 1.744 30 10 HDEE CC(C)(C)OC(=O)N1CC(C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CCC2=O)C1 1853739752 VGXFHKAVUHOJMY-MRXNPFEDSA-N 404.511 1.854 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2ccc(OC)cc2OC)C1=O 1854184608 AMXSJYMBAWKDNC-IRXDYDNUSA-N 401.463 1.164 30 10 HDEE CC(C)c1cc(C(=O)N2CCC[C@@H](N3CC(Oc4cccnc4C#N)C3)C2=O)no1 1854196237 MAZZOGPBZXVQLL-QGZVFWFLSA-N 409.446 1.959 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)COCc2ccccc2)C1=O 1854351935 OPNMCPPFEPGMGS-UXHICEINSA-N 413.518 1.830 30 10 HDEE N#Cc1ccc(CC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(F)c(F)c3)C2)cc1 1854400853 DAAONBKLBYCBOO-CQSZACIVSA-N 408.382 1.927 30 10 HDEE COc1cccc(S(=O)(=O)N2CCN(C(=O)c3cccc(C#N)c3)C(=O)[C@H]2C)c1 1854676531 RGZIBKNHMWYKNE-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C=C1CCCN([C@H]2CCCN(C(=O)CCn3nnc4ccccc4c3=O)C2=O)CC1 1855123210 KLANALKGUXLRFA-IBGZPJMESA-N 409.490 1.741 30 10 HDEE C=C[C@@H]1CCCCN1C[C@H]1CCC(=O)N(C(=O)c2cnc3sc(C)nn3c2=O)C1 1855376181 ZDDBBBGHDCZKGT-HUUCEWRRSA-N 415.519 1.879 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C(=O)[C@H]1C 1856288818 FVMIDTUAZGTARO-IAGOWNOFSA-N 407.474 1.662 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C1=O)CC2 1856532066 REWCTTCMVPIPFU-GXTWGEPZSA-N 423.395 1.784 30 10 HDEE N#Cc1ccc(OCCN2CC[C@@H](N3CCN(C(=O)C4CCCC4)C(=O)C3)C2)cc1 1856729068 WCSUFQXDDOTNHT-HXUWFJFHSA-N 410.518 1.872 30 10 HDEE Cc1ncc(C(=O)O[C@@H]2CON(S(=O)(=O)CC#N)C2)c(C)c1Br 1856853972 XHGPQSBIFWUEOW-JTQLQIEISA-N 404.242 1.087 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CCC(F)(F)C3)C2)CC1 1857063104 WOFRXYYXEZLMKR-DZGCQCFKSA-N 417.478 1.752 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cccc(-n4cnnn4)c3)C1)CC2 1857219352 IDRYZPLLXXRXAI-WBVHZDCISA-N 405.462 1.277 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc(OC(C)C)c2)C1)[C@@H]1CCN(C)C1=O 1857237205 WOXWNCBAJXXHKY-QFBILLFUSA-N 414.506 1.576 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)[C@@H](C)n1cncn1 1857484271 JXCWLMONYOMPQB-CQSZACIVSA-N 417.491 1.542 30 10 HDEE C=CCN(CC=C)C(=O)NS(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCO2)cc1 1858654506 QPNOFSRDHVGWJP-QGZVFWFLSA-N 407.492 1.554 30 10 HDEE COc1cccc(/C=C/C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 1860724501 FRFPUNXIBMEZPC-IZZDOVSWSA-N 402.428 1.741 30 10 HDEE C=CCOc1cn(CCO)c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1=O 1870387699 PIFZEJDOLKTHMY-UHFFFAOYSA-N 414.462 1.636 30 10 HDEE N#Cc1cccc(S(=O)(=O)NC[C@@H]2CN(c3ccc4c(c3)OCO4)C(=O)O2)c1 1891834069 ZWDPTUFUWXCAKZ-CQSZACIVSA-N 401.400 1.591 30 10 HDEE CC(=O)Nc1ccc([N+](=O)[O-])c(C(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c1 1891963390 MPKXBZGEAMLHHT-AWEZNQCLSA-N 410.390 1.898 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 1901478113 GNHFQZUHWSVTPZ-LBPRGKRZSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@H]2COC[C@@H]21 1965825100 DKXZNCRDJMSRRH-OBJOEFQTSA-N 413.521 1.922 30 10 HDEE C=CC1(O)CCN(S(=O)(=O)CCCCCN2C(=O)c3ccccc3C2=O)CC1 2074499920 LMVZMTJIWFVHIV-UHFFFAOYSA-N 406.504 1.796 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCC2(CC(=NO)C2)C1 2108229504 UKEBYALKSBHCSL-MRTLOADZSA-N 423.466 1.657 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@H]2OCC[C@H]2N1C(=O)OC(C)(C)C 2174783119 YJBGXYHPIXEFPF-QKPAOTATSA-N 401.529 1.868 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N(CCC(F)(F)F)CC(=O)O)C(F)(F)F 2180574608 LTWNZHPRYRWAHC-MRVPVSSYSA-N 406.201 1.852 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@H](CCS)C(=O)O)C[C@@H]2COCC[C@H]21 2180629023 IRYHJSLQHDTJOM-AAVRWANBSA-N 402.513 1.538 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC(F)(F)C1 2184235721 XJUYJQSXGZEGLO-QWHCGFSZSA-N 408.471 1.701 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247813987 MZSDXZFKASOWKY-CQSZACIVSA-N 420.319 1.742 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)CC1 2247910179 KGIGOACRWCMTAG-UHFFFAOYSA-N 421.303 1.776 30 10 HDEE CC[C@H](O)CN(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247921673 TWVZYUNOWLVSAC-INIZCTEOSA-N 414.315 1.528 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)[C@@H]2NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2247925148 ATHBVHBVKGUBJG-MIFYACCESA-N 417.315 1.909 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[S@]1=O 2267368082 DEQBBAIVEKBNNX-APXPCNQMSA-N 405.372 1.189 30 10 HDEE CC1(C)OB(c2ccccc2S(=O)(=O)N2CCC[C@@H]2C2OCCO2)OC1(C)C 2267411462 ZIEGAYIRSFOPCY-OAHLLOKOSA-N 409.313 1.512 30 10 HDEE C[C@@H]1C[C@H](N)CN1S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707152 LWHZUANWJJMQOQ-ZJUUUORDSA-N 406.766 1.811 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCc2cnsn2)OC1(C)C 2267708594 MVQSSAXWENOCMG-UHFFFAOYSA-N 401.344 1.518 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(O)CCSC3)c2)OC1(C)C 2267710850 BSKWYPKSOZZLPT-OAHLLOKOSA-N 405.372 1.194 30 10 HDEE C[S@](=O)C[C@@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(C)(C)C 2282010369 XTDFUNSCSWFGFC-RYZVSIALSA-N 400.375 1.965 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CC34CC(O)C4)cc2Cl)OC1(C)C 2282309996 NVSZJRYGUDZSJP-UTJYPRCQSA-N 419.761 1.892 30 10 HDEE Cc1cc(S(=O)(=O)NCc2csc(O)n2)sc1B1OC(C)(C)C(C)(C)O1 2282317490 RWZPTDKMRZPKPF-UHFFFAOYSA-N 416.355 1.996 30 10 HDEE CN([C@H]1CCCCNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282346112 LPFTWXIFUIFGCI-ZDUSSCGKSA-N 400.375 1.810 30 10 HDEE C[C@H]1CNC[C@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494063 XAVJUOSLMPNOLP-XHDPSFHLSA-N 400.737 1.525 30 10 HDEE COC[C@H](CF)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282495111 HVYVZDPVZWESAU-LBPRGKRZSA-N 407.700 1.902 30 10 HDEE CCNC1CN(S(=O)(=O)c2c(C)sc(C)c2B2OC(C)(C)C(C)(C)O2)C1 2282497409 PIMUHMIKRHXDCZ-UHFFFAOYSA-N 400.375 1.647 30 10 HDEE Cc1nn(C)c(C(=O)N[C@@H]2CCCC3(C2)OCCO3)c1B1OC(C)(C)C(C)(C)O1 2282573558 BWEINWSVPLVROF-CQSZACIVSA-N 405.304 1.443 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](N)CC[C@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282836382 IZKLJSIMZXWCDF-OLZOCXBDSA-N 400.375 1.856 30 10 HDEE CO[C@@H]1C[C@@H]1CN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282843313 LKLIGEADWGVGSG-DGCLKSJQSA-N 402.347 1.239 30 10 HDEE C[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1COCCO1 2282851945 JMOIFCRAKZLTEL-WCQYABFASA-N 403.331 1.130 30 10 HDEE C[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282874265 YBFHRGUQWDRJOB-IAQYHMDHSA-N 401.721 1.783 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N=[S@](C)(=O)CCN)OC1(C)C 2282875414 OKXLTIKPKKCPLI-RUZDIDTESA-N 422.765 1.384 30 10 HDEE CN[C@@H](C#Cc1nccs1)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2363524083 DVEVFZYZZRYBMZ-KBPBESRZSA-N 413.565 1.895 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2365207514 OZIJOJXICWFJTH-XHSDSOJGSA-N 402.557 1.409 30 10 HDEE CN(CC1(O)CC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2365688727 BKEGVWZSMSZXAQ-UHFFFAOYSA-N 401.721 1.785 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC2(S(C)(=O)=O)CC2)(OCC(=O)O)CC1 2367785759 FIZGDIVWGXDPDJ-UHFFFAOYSA-N 401.481 1.438 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792861 SCQRKICCRNLDKS-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367796520 QFNUOEXEWHUUPS-VKJFTORMSA-N 400.541 1.747 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 24713338 SLSJIOSLIGZHSA-UHFFFAOYSA-N 412.515 1.814 30 10 HDEE O=C(/C=C\c1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccnc1 33583632 IIPGVTCJQKQJJU-PRPIBZDOSA-N 409.442 1.985 30 10 HDEE C#CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(OCC)ccc21 44360718 LRKGZNLWIXJYOL-MJWGMMHASA-N 407.517 1.586 30 10 HDEE CCOc1cc([C@H]2NC(=O)Nc3c2c(=O)n(CC)c(=O)n3CC)ccc1OCC#N 108322440 WCLQVCIAWRFQGW-MRXNPFEDSA-N 413.434 1.575 30 10 HDEE C#CC[C@H](NC(=O)OC(C)(C)C)[C@H](C[C@H]1CCCN(S(C)(=O)=O)C1)NCC 407674113 VGXDPYAVIJIJNC-IKGGRYGDSA-N 401.573 1.943 30 10 HDEE CN(CC(=O)N[C@@H](C#N)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C1 434069250 VXLCNRZMOZPWPT-KBPBESRZSA-N 400.298 1.249 30 10 HDEE CCOC(=O)COc1cccc(NC(=O)C(=O)N2CC(Oc3ccc(C#N)cc3)C2)c1 442245817 BIMNAUBWPIWXJB-UHFFFAOYSA-N 423.425 1.728 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCC 447777805 HDLTWKTXANQGNG-UHFFFAOYSA-N 419.510 1.311 30 10 HDEE C[C@@H](CC(F)(F)F)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 464372733 ASQNGTMRWMZYSY-LBPRGKRZSA-N 404.414 1.915 30 10 HDEE N#CCCCOc1cccnc1NC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 466604825 TUHJMFWFICLSJK-INIZCTEOSA-N 401.467 1.867 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)nc1 471187373 LPRRJRWVWMSAGP-UHFFFAOYSA-N 401.448 1.228 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)c3cn(-c4ccccc4)nn3)CC2)c1C#N 472071065 YVBDVVCFQVZWQI-INIZCTEOSA-N 419.493 1.774 30 10 HDEE C=CCNC(=O)CN1CCN(c2c(C(=O)OCC)cnc3ccc(OC)cc23)CC1 481681959 FULPBDHXOJXMEN-UHFFFAOYSA-N 412.490 1.844 30 10 HDEE CC(C)(C)OC(=O)CSCC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 486001914 IDWWWQLQYTYOAK-INIZCTEOSA-N 403.504 1.850 30 10 HDEE CN1CCN(c2cc(CNC(=O)[C@](C)(C#N)CC(=O)OC(C)(C)C)ccn2)CC1 505778800 UJZHJSSKMWJWRX-NRFANRHFSA-N 401.511 1.711 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3[C@H]4C[C@H](C(=O)OC)O[C@H]4CC[C@H]3C)cc2C1=O 512950373 ZURRSWSQQPUNTI-PBZHRCKQSA-N 412.442 1.792 30 10 HDEE C=CCN1CCC(NC(=O)N2CCN(c3ccccc3S(=O)(=O)NC)CC2)CC1 518531208 OKYJVPPUZSRGJD-UHFFFAOYSA-N 421.567 1.077 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H](O)COc3ccc4c(c3)OCO4)cc2C1=O 518683864 YJQXKLCECFQQRU-CQSZACIVSA-N 424.409 1.367 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCCN(c3cccc(F)c3)C2)CC1 522606623 AQKMTPFVLPEDNP-SFHVURJKSA-N 403.502 1.424 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2cccc(F)c2)cc1 541128977 OVYSODILJYFTNO-QGZVFWFLSA-N 412.446 1.967 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccn(Cc2ccccc2)n1 551785583 AWVSWRYVIIIQJH-INIZCTEOSA-N 423.498 1.786 30 10 HDEE CC(C)C(=O)N1CCC(NC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 571100186 CEYXAUXANFZDFM-IBGZPJMESA-N 411.506 1.605 30 10 HDEE C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)S(=O)(=O)CC1(C#N)CCC1 575027713 IGZAFZOLFXRSCQ-CQSZACIVSA-N 404.492 1.706 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(Nc3cccnc3)nn2)CC1 585485499 CCGHDXDZKIMIAF-UHFFFAOYSA-N 421.486 1.998 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)NCC(C)C)nc1C 586303536 LXCPYZIRPZXATM-AREMUKBSSA-N 401.510 1.254 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(NC(=O)CC3(C#N)CC3)CC2)cc1OC 590260721 URKGJJHFPYJMPB-UHFFFAOYSA-N 407.492 1.667 30 10 HDEE CCOc1cccc(CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 610762276 PWOQCMSOIBOLRT-UHFFFAOYSA-N 402.476 1.563 30 10 HDEE CC(C)(CNC(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1)NS(C)(=O)=O 611839352 XKWXOBCGJHQPIW-UHFFFAOYSA-N 410.887 1.847 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)N[C@H](C)CC)cc2C1=O 623389059 LAONOJLOBWTKCV-MLGOLLRUSA-N 401.488 1.898 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H]2[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 678704065 PVTPZLWBBFBNMC-WIHIRCLASA-N 403.504 1.592 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cnn(CC)c1 727417472 GHZGCEMPUNKDJV-UHFFFAOYSA-N 411.487 1.128 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Cl)c(OC)cc1Cl 729853818 LNAIIWZDWVQOFD-SNVBAGLBSA-N 412.316 1.813 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)ccc1Cl 732651083 UABUGLMJBJLIAC-CQSZACIVSA-N 412.899 1.334 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)CCN1C1CC1 732707894 HUGBVPBGKWKWBT-HNNXBMFYSA-N 423.395 1.116 30 10 HDEE Cc1nc2c(c(O)nn2C)c(C)c1CC(=O)NS(=O)(=O)Cc1ccccc1C#N 733854516 XDRLNTDCJIMVKC-UHFFFAOYSA-N 413.459 1.351 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1 734690578 VMBNLWZXRWOAMQ-MRXNPFEDSA-N 411.547 1.165 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCc4nn(CC)c(=O)cc4C3)ccc2c1=O 752743528 MNSZHLLVHBCTQH-UHFFFAOYSA-N 423.498 1.646 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N(CCO)Cc1cc(Br)cs1 755812014 ORTXCONMIGZXFD-UHFFFAOYSA-N 411.343 1.615 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCc2nc(-c3ccncc3)no2)[C@H](C#N)C1 756879793 BLENMIORFPNMKO-HUUCEWRRSA-N 412.450 1.939 30 10 HDEE COc1cc(NC(=O)C2CC2)ccc1S(=O)(=O)N1CCN(C2CC2)[C@H](C#N)C1 761269368 AEEIARVXDMGAKR-MRXNPFEDSA-N 404.492 1.405 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C1CN(C(=O)OC(C)(C)C)C1 764385008 KYZQJPHVXBHQAF-UHFFFAOYSA-N 422.507 1.193 30 10 HDEE Cn1cnc(CN2C(=O)[C@H](CC(=O)NC3CC3)SC2=Nc2ccccc2C#N)n1 768418637 VAEBRBHYATWLSG-HNNXBMFYSA-N 409.475 1.487 30 10 HDEE COc1ccc(C)cc1[C@]1(C)NC(=O)N(CC(=O)OC2CCN(CC#N)CC2)C1=O 771632860 QTXBKDHUCBFLPU-NRFANRHFSA-N 414.462 1.302 30 10 HDEE C=CC(=O)NCCC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 773286728 SSKAVVLOTPFUNB-XLNRJJMWSA-N 406.508 1.910 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC(C(=O)NS(=O)(=O)CCCC#N)C[C@H](C1)C2=O 778706498 SQFCUMYPDQQXMT-AGUYFDCRSA-N 413.496 1.198 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCc2c(ncn2-c2ccccc2)C1 779350333 CFBHXVSGYCOBPP-FMQUCBEESA-N 406.446 1.466 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 780690415 ZKUCGDIPDAXCCH-HOTGVXAUSA-N 413.540 1.608 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)[C@@H](O)c3ccc(C#N)cc3)C2=O)c1 780959031 CDTIHSNTMXBLLY-UXHICEINSA-N 409.442 1.873 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 781050396 XKUKCFGXMMNWOT-AYAKEVCGSA-N 424.436 1.432 30 10 HDEE CC(C)(C)OC(=O)NCc1cccc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c1 786944645 GRNHUMYOCBYTJH-HTXNQAPBSA-N 414.462 1.968 30 10 HDEE Cc1ccc(S(=O)(=O)N(C)CC(=O)O[C@H](C)C(=O)NC2(C#N)CCC2)cc1C 787621374 KGRXKDUIQWGHLA-OAHLLOKOSA-N 407.492 1.418 30 10 HDEE COC(=O)c1cc(C=Nn2c(-c3cnn(C)n3)csc2=Nc2ccccn2)c[nH]1 789992957 YTUFXIODIPSNES-UHFFFAOYSA-N 408.447 1.969 30 10 HDEE CC(C)(C)OC(=O)N1CCc2c(ccc(NC(=O)NCC(=O)NCC#N)c2F)C1 806530581 AISYBTIGLGBCFR-UHFFFAOYSA-N 405.430 1.880 30 10 HDEE CC(C)(C)OC(=O)NC/C=C/CNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 807229198 QOCTUEAZVNPZJR-VOTSOKGWSA-N 422.507 1.312 30 10 HDEE CC(C)(C)OC(=O)NCC1(C=NNC(=S)NC[C@@H]2CCCO2)CCOCC1 814213430 LPEYXDJSOAKSBS-AWEZNQCLSA-N 400.545 1.937 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCOC[C@H]3[C@@H]3CCCN3C)ccc2c1=O 816750509 NLKBSBHWDHKIFQ-ROUUACIJSA-N 414.531 1.806 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2csc(S[C@@H](CC)C(N)=O)n2)c1 1125221394 FEIZDVTTXFYSGV-HNNXBMFYSA-N 416.528 1.778 30 10 HDEE C#C[C@H](NC(=O)CCCN(C)S(=O)(=O)c1ccc(C(C)=O)cc1)C1CCOCC1 1131258030 UTZVYLOEIALYNI-FQEVSTJZSA-N 420.531 1.835 30 10 HDEE N#Cc1c(NC(=O)c2csc(I)n2)nc2n1CCOC2 1135005572 AOPHSAZXCGYYGJ-UHFFFAOYSA-N 401.189 1.598 30 10 HDEE C=C[C@@](C)(O)C(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1135509358 QFQVFPRVCORBRU-CYBMUJFWSA-N 409.327 1.281 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H](O)c2ccc(OC)cc2)s1 1137397525 CQUKATLJBHVQMP-INIZCTEOSA-N 410.517 1.613 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O)c1cc[nH]n1 1139617289 NTLLBUJGRLOBLU-UAGQMJEPSA-N 406.483 1.626 30 10 HDEE C=CCCSCCNC(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1 1146397499 YSKOKTZXNZHGOT-UHFFFAOYSA-N 404.579 1.933 30 10 HDEE N#CCc1ccccc1S(=O)(=O)NCCC(=O)N1CCN(c2ccccc2)CC1 1186149564 AFEIWNXLSLFKJN-UHFFFAOYSA-N 412.515 1.770 30 10 HDEE C#CC[C@@H]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1 1195463508 MDZTZHWKJOVWHD-QGZVFWFLSA-N 405.520 1.381 30 10 HDEE CCS(=O)(=O)N1CCC([C@H](C)N(C)C(=O)Nc2cnc(OC)c(C#N)c2)CC1 1220041801 ADDZKJUQDGYIFZ-ZDUSSCGKSA-N 409.512 1.876 30 10 HDEE C=CC(C)(C)CCCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 1220580121 AOGLWZCDXBVSRW-UHFFFAOYSA-N 423.583 1.825 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)CC2)c1 1230534339 DTTLDNTVMGZZFK-MOPGFXCFSA-N 416.547 1.599 30 10 HDEE C[C@@H](CN(C)CCCN(C)C)NC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1248376523 ZTBORFPJGCHRDC-PXNSSMCTSA-N 414.554 1.230 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCC2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]23)CC1 1255069509 GAFRVVVJHSKUKJ-IRXDYDNUSA-N 404.511 1.270 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCCN1CC 1286431897 SIQRXIHDQYGPSP-MOPGFXCFSA-N 417.579 1.518 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H]1COCCO1 1286448592 YUKKIKLQWKZPJI-GOSISDBHSA-N 411.510 1.327 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1Cc1ccc(-n2cncn2)nc1 1286458804 DFSAZVLFPNSZNU-UHFFFAOYSA-N 415.461 1.450 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@H]2CC)CC1 1286470684 BGKDKVWRFGKGBT-KSZLIROESA-N 422.599 1.470 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccon1 1286687062 FUWJUPHDWMODOB-MRXNPFEDSA-N 424.527 1.592 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CCOCC1 1286773485 OZBUUQZQQOCONW-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)CC1CCC1 1286787512 GTWUAAINUJJPPN-UHFFFAOYSA-N 424.553 1.991 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2COCCO2)C1 1286799335 UUXPQVYBGUTESU-JKSUJKDBSA-N 414.466 1.122 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1286818388 HSJPYXVDFCIKOL-SJORKVTESA-N 421.523 1.258 30 10 HDEE Cc1cc(C)c(N2C[C@@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c(C)c1 1289436025 CVBPZODDBXAHEO-XGHQBKJUSA-N 415.515 1.362 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(c3cccc(O)c3)CC2)s1 1290364840 BDJYDRCWSMZOLE-UHFFFAOYSA-N 421.544 1.809 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2)C1=O 1293828056 VLBNTTKGUXARQX-UHFFFAOYSA-N 418.494 1.180 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CS(=O)(=O)c3ccccc32)c1 1298367524 XGUNMVPKTFYZIH-INIZCTEOSA-N 417.508 1.785 30 10 HDEE C#C[C@H](CO)NC(=O)CSc1nnc(COc2ccccc2)n1Cc1ccco1 1298587039 XKXKYEMSSIKPEG-OAHLLOKOSA-N 412.471 1.701 30 10 HDEE C#CC[C@H](NC(=O)CCOc1ccccc1I)C(=O)OC 1299179205 UHZVGXIHCVALME-LBPRGKRZSA-N 401.200 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(O)c1 1300307581 GKNRYIZBWHOMBA-DZGCQCFKSA-N 404.492 1.401 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCn2cc(C)nc21 1300457986 CRGYSCXZEGVUJO-JKSUJKDBSA-N 402.524 1.332 30 10 HDEE C#CCN(c1nnc(-c2cccc(OC)c2)n1CCCOC)[C@H]1CCS(=O)(=O)C1 1300482921 IYWAZGYSYKAIQB-KRWDZBQOSA-N 418.519 1.617 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1300483143 IDJZHZBXJZTTRY-AEFFLSMTSA-N 419.595 1.687 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CCSCC=C)[C@H]1CCS(=O)(=O)C1 1300495704 JPIQOLXVBGKESQ-SJORKVTESA-N 424.592 1.718 30 10 HDEE C#CCN(C(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C1CSC1 1300610202 LPRHKAYVFGCKFA-FQEVSTJZSA-N 401.488 1.348 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)N1CCOCC1 1300634000 QFSZBPQLGCXEDR-UHFFFAOYSA-N 406.490 1.669 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccn2)n1C[C@@H](C)N1CCN(CC)CC1 1300665703 ODFWOJWBBIOKDB-LJQANCHMSA-N 411.554 1.452 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@H]2CCCN2CC)CC1 1300682355 GQUOIQKJDIGOLB-RBUKOAKNSA-N 404.559 1.242 30 10 HDEE C#CCSCCn1c([C@@H](C)OCCOC)nnc1N1CCO[C@@]2(CCOC2)C1 1300741051 LDCSLKYHOSSPSV-APWZRJJASA-N 410.540 1.364 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC(=O)NC 1300889646 DCOTYEOCPFSHCC-PXNSSMCTSA-N 415.542 1.693 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1301223192 PARPMRKQZUWNBL-DLBZAZTESA-N 420.539 1.248 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2oc(CC)nc2C)C1 1301554547 IDNPUGWUKLDYOQ-HUUCEWRRSA-N 400.483 1.918 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCN(C(C)C)CC1 1301577265 MIIDHMDHKDILAQ-UHFFFAOYSA-N 407.540 1.978 30 10 HDEE COCCOCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@](C)(C#N)C1 1302237727 JZXRGAHRVBQGNA-ABSDTBQOSA-N 407.515 1.795 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H]2[C@H](C)C=C[C@@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1303792810 QWQNGHYBRFNCBL-BVUBDWEXSA-N 411.424 1.186 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3CCO[C@@H](c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1312470862 QBDJASXMTGXCJY-KNIMUDFMSA-N 407.467 1.626 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3c(F)cccc3F)n2CCn2cncn2)C1 1316532865 XEPLEZSHEKVLBF-SFHVURJKSA-N 402.384 1.881 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 1351648865 QFBSFTMVMVISAI-YJBOKZPZSA-N 410.492 1.636 30 10 HDEE Cn1cc(C#N)c(NC(=O)CCN2C(=O)c3ccc(Br)cc3C2=O)n1 1354900336 AAMDFKXPPKJYMG-UHFFFAOYSA-N 402.208 1.679 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2CNC(=O)C[C@@H]2C(F)(F)F)cc(OC)c1OC 1358415253 QVQCNZUHNONKPP-SRVKXCTJSA-N 415.368 1.708 30 10 HDEE C#CCCCn1c(-c2cccn2C)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358926268 JFHMYHPKPIPAID-IBGZPJMESA-N 409.538 1.440 30 10 HDEE C#CCN(c1nnc(C2CC2)n1C[C@@H](C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1358962507 QUAHBWKXXHEZQI-FUHWJXTLSA-N 405.568 1.514 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(OC)c1 1359000589 ZWZTUMAUMKMGSK-CQSZACIVSA-N 421.523 1.413 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@@H]1C 1359014141 YMOFFLIKBJLVGG-IERDGZPVSA-N 400.479 1.865 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)OCCOC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1359142268 DNMUKOUTDFOEKM-PBHICJAKSA-N 418.947 1.770 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1nncn1C 1359221603 HLRRAOCEGRDPFW-OAHLLOKOSA-N 402.503 1.479 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C)[C@@H]1C 1359300887 MAOYGNCVWRPPSS-IRXDYDNUSA-N 424.553 1.989 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCOCC1 1359328117 UAHZMHJOAHOEIA-OAHLLOKOSA-N 424.498 1.995 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1359346266 GZTUCWYCGQEUCC-OXQOHEQNSA-N 423.583 1.812 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCn2nc(C)nc2C1 1359347031 CBMVIHMYXKFIED-RDJZCZTQSA-N 419.555 1.841 30 10 HDEE CC(C)c1nnc(N2CCC(CC#N)CC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1359695330 IBLQDLHPILGDGI-UHFFFAOYSA-N 423.521 1.795 30 10 HDEE Cn1cc(N2CC[C@H](NC(=O)Cc3ccc(Br)cc3C#N)C2=O)cn1 1360900643 OCPIGLBLZDOFMZ-HNNXBMFYSA-N 402.252 1.518 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)COc1ccc(F)cc1F)c1cc[nH]n1 1442226277 RKWOTARVXVTZQS-LLVKDONJSA-N 410.377 1.555 30 10 HDEE N#CCOc1cccc(OC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)c1 1460841016 MIPKAHPOXAGLNM-UHFFFAOYSA-N 420.418 1.968 30 10 HDEE COC(=O)c1cnc([C@H]2CCN(CC(=O)N3CCN([C@H](C#N)C(C)C)CC3)C2)s1 1460861795 BSEUIMSOIPNAJP-JKSUJKDBSA-N 419.551 1.411 30 10 HDEE COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1466738226 VTPPTBJJJASBTE-NYXISSTPSA-N 403.479 1.863 30 10 HDEE CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@H](C#N)Cc1ccc(C#N)cc1)C1CCCC1 1468895965 CTYZWQNMYMJGFX-RTBURBONSA-N 417.535 1.312 30 10 HDEE CCOC(=O)c1n[nH]c([C@H](C)NC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)n1 1469993952 PCNARXVAWQBKFQ-ZDUSSCGKSA-N 419.482 1.809 30 10 HDEE CCS(=O)(=O)CCCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1470510712 YCDNDIQCVUZRBM-UHFFFAOYSA-N 421.479 1.463 30 10 HDEE Cn1nnnc1C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1471704117 SMJQQLAXPSKHHV-CQSZACIVSA-N 413.869 1.494 30 10 HDEE C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)CS(=O)(=O)Cc3ccc(C#N)cc3)O2)[C@@H]1C 1471930084 YQZDPAWKECNFRB-HCCHORAYSA-N 406.504 1.562 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1 1476029104 BTGVHMLNUQFLRQ-MSOLQXFVSA-N 408.524 1.478 30 10 HDEE CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C1 1479048576 PMBXOBVMYOOKCQ-SFHVURJKSA-N 424.553 1.254 30 10 HDEE C[C@@H](Cc1cccnc1)NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1479552844 CSIAKONVGZTCPZ-INIZCTEOSA-N 413.503 1.600 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1507535642 XLDNOWLFSZMCCY-ZFWWWQNUSA-N 413.478 1.761 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1507535773 YWBBQGHGRUYUQB-NWDGAFQWSA-N 407.400 1.739 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(O)(CC)CC 1507644365 GFTDUJGBPVNOEJ-UHFFFAOYSA-N 414.531 1.973 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1507689955 NXDYUBZDCFNAPM-MRXNPFEDSA-N 407.540 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cccnc1OC 1507703277 SSSCCQMKJLJSSQ-UHFFFAOYSA-N 421.461 1.463 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](COC)OC)CC1 1507719828 BKGJNHQFRXRFFR-MRXNPFEDSA-N 404.902 1.410 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1(O)CCN(C(C)C)CC1 1507765316 MHIJRIDCIYGUMR-OAQYLSRUSA-N 411.554 1.906 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](O)(c2cccc(F)c2)C1 1507823739 FAQXMRIUZVANJK-KUHUBIRLSA-N 423.514 1.701 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)C(C)(C)C)CC1 1507902416 DVUFPHGUXFFYEW-OAHLLOKOSA-N 409.556 1.845 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC[C@H](O)C1 1508040213 UPGWIHJVMQBYAH-BBWFWOEESA-N 412.556 1.370 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc2c[nH]nc2c1 1508041377 NNNJEAYAYHIOTC-KRWDZBQOSA-N 409.494 1.987 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1508120037 XVQFBYWLSZSJER-HZPDHXFCSA-N 420.539 1.479 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1508139964 FLZKXKCYJFZXNO-HNNXBMFYSA-N 416.569 1.160 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1509951178 VVMBZHGPWSSYDP-YCRPNKLZSA-N 407.478 1.945 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCO[C@H](C#N)C1 1511645804 HUFGYTZMCGLOCC-QGZVFWFLSA-N 422.449 1.981 30 10 HDEE CN(CC(=O)NC(C)(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1COCCO1 1517071530 WVSJVSQLYBEEFR-QGZVFWFLSA-N 412.494 1.583 30 10 HDEE C#CCOc1ccc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1521866873 JISOMEDUEYEQSD-UHFFFAOYSA-N 414.483 1.650 30 10 HDEE CCc1ccc(C(=O)N2CCO[C@](C)(C#N)C2)cc1S(=O)(=O)N1CCOCC1 1536620213 ZFCFZAQHRHZCQG-LJQANCHMSA-N 407.492 1.025 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@]1(O)CCOC1 1538983800 XUOGRCGEWOKVCZ-LHSJRXKWSA-N 416.478 1.580 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccccn1)[C@H]1CCS(=O)(=O)C1 1539215780 JDTSJHJTYHUWMM-IBGZPJMESA-N 422.514 1.605 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCOC1)[C@H]1CCS(=O)(=O)C1 1539222316 VMBGOTGAMOYOIP-AEFFLSMTSA-N 406.552 1.989 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1CC[C@@H]1COCCO1 1539541771 LGUZLPBIDZGGQY-DUXKGJEZSA-N 404.511 1.728 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3cc(C#N)ccn3)CC2)COC1 1540661365 WWYLTTYLGNFDQD-UHFFFAOYSA-N 401.467 1.286 30 10 HDEE Cc1c(C(=O)N2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)cnn1CCC#N 1540753868 WYHUBAHWYVOCCD-UHFFFAOYSA-N 419.482 1.827 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCN1CCC[C@H](C(N)=O)C1 1544837696 KCYRDEORZCDJEM-GJZGRUSLSA-N 416.950 1.726 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1Cc1cnnn1C 1545544304 UUXXSMJXEUPBMA-HNNXBMFYSA-N 406.498 1.562 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N(CCC(F)(F)F)C[C@H](O)CO 1545882627 JYPVNMJCVPFLNZ-QWHCGFSZSA-N 411.421 1.708 30 10 HDEE CSC(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@@H](C#N)C1 1555825719 BEMTXHJQHDYCAY-LBPRGKRZSA-N 404.496 1.876 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCO3)n2CC(=O)NCC(F)(F)F)CC1 1555994968 WEEVRVYBPQKQQS-CYBMUJFWSA-N 400.405 1.938 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCCN(c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC1 1556102595 LIHZMYFEGJWFOA-GOSISDBHSA-N 414.466 1.981 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)c2cc3n(n2)C[C@H](C)N(C(=O)OC(C)(C)C)C3)C1=O 1556383041 DODIWKWPAVZPQM-WMLDXEAASA-N 417.510 1.881 30 10 HDEE COCC1(O)CN(C(=O)[C@@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1 1556760855 CWISUUSLEWVJMM-KRWDZBQOSA-N 401.463 1.612 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)NCc2cncc(C#N)c2)CC1 1558449946 NZBBDNCWXWWMKK-UHFFFAOYSA-N 402.480 1.010 30 10 HDEE O=C(CN1CCC2(CC1)C[C@H](O)CNC2=O)NCC#Cc1cccc(C(F)(F)F)c1 1560195891 NMXNWMLEBRJFKE-KRWDZBQOSA-N 423.435 1.136 30 10 HDEE CNC(=O)[C@@H](CNC(=O)N1CC[C@](O)(CC#N)C1)Cc1ccc(C(F)(F)F)cc1 1565017298 IDYUVFLYERKXAX-RDTXWAMCSA-N 412.412 1.670 30 10 HDEE CSC[C@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 1568180985 BIOUKCQLPGKEHI-BZUAXINKSA-N 419.503 1.329 30 10 HDEE CSC[C@@H](C(=O)NCc1ccc(C(=O)NO)cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1568180988 BIOUKCQLPGKEHI-XHSDSOJGSA-N 419.503 1.329 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1(N2CCOCC2)CCN(C)CC1 1570329405 VIENATUTEOLBTF-SFHVURJKSA-N 422.570 1.206 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@H]1[C@H]2c3cc(Br)ccc3C[C@H]21 1585296926 NSVRSBOVSQBWQC-XVTYAVOBSA-N 416.275 1.977 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@H](c1ccc(F)cc1)N(C)C 1588159418 WEZXIEQPMBACEZ-HXUWFJFHSA-N 422.508 1.915 30 10 HDEE COC(=O)[C@@H]1CCCN(CC(=O)N[C@@H](C#N)c2ccc(Br)cc2)C1=O 1588248720 ANXCTCDFQLSCMS-KGLIPLIRSA-N 408.252 1.542 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@@H]1CCc2nccn2C1 1588673769 ZNQLWODYNRDZGT-LJQANCHMSA-N 422.537 1.685 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCOC)CC1 1594962789 NJHPYKTXULAEDD-HNNXBMFYSA-N 413.544 1.050 30 10 HDEE C=CCN(c1nnc(Cc2ccncc2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1595062773 WMOBHTXBDJDFRS-QZQOTICOSA-N 419.489 1.945 30 10 HDEE C=CCN(CC=C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(C)CN(C)C1=O 1595228446 CJZMUDVROVPIMC-HXUWFJFHSA-N 414.535 1.926 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCN1CCOC(C)(C)C1 1595296306 CMQKDVFARWGDDP-SFHVURJKSA-N 407.559 1.922 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CC[C@H](C)[C@@H](OC)C1 1595561929 HTJCVIALGOCLJQ-BBRMVZONSA-N 404.540 1.797 30 10 HDEE N#C[C@@]12CN(C(=O)C3(c4ccc(F)cc4F)CCOCC3)C[C@H]1CS(=O)(=O)C2 1597372304 SEUXEFJRSYZOST-UGSOOPFHSA-N 410.442 1.410 30 10 HDEE CS(=O)(=O)c1ccccc1CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 1597552947 HUOMMTDTODGZCT-UHFFFAOYSA-N 421.500 1.212 30 10 HDEE C#CCC1(NC(=O)[C@@H]2CC(=O)N(c3cc(OC)c(OC)c(OC)c3)C2)CCOCC1 1598175855 IPZNKJOCWBZCLL-OAHLLOKOSA-N 416.474 1.754 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CCNC(=O)C2CC2)cs1 1612402297 FNEVGLPFHZPWMW-GOSISDBHSA-N 403.487 1.602 30 10 HDEE CCNC(=O)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@H](C)C#N)CCC1 1615923119 FKIYKTPTXGSLLM-HUUCEWRRSA-N 422.555 1.082 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CCS(=O)(=O)N(C)C)nc1C 1616295902 CHEBSGHCIZOJQO-UHFFFAOYSA-N 416.554 1.405 30 10 HDEE CN(C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCC1 1617655320 GPWSCUMIKOLUBY-KRWDZBQOSA-N 420.583 1.795 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)/C=C\c2ccc(F)cc2)c1 1618167138 WGHWGAAMBZYBJU-YFHOEESVSA-N 420.462 1.649 30 10 HDEE COCCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1619831859 QSSDDNGNXXGGPS-ZCXUNETKSA-N 404.515 1.866 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCCC[C@@H]4C3)n2CCOCCCO)cc1 1620350198 FHORUZMEMULTTK-HXUWFJFHSA-N 410.522 1.890 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]32)CC1 1623499264 VTCUWMFQOCGNAG-YTQUADARSA-N 416.319 1.228 30 10 HDEE C#CC[C@H](NC(=O)[C@H](CCSC)NC(=O)c1ccc2ccccc2n1)C(=O)OC 1626188443 YUXWCDKEKQIAIP-ROUUACIJSA-N 413.499 1.767 30 10 HDEE Cc1cccc2c1C[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c3ccccc31)CO2 1630136697 PLAIKUWBXAKJEC-GJZGRUSLSA-N 413.499 1.932 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccc(OC)cc2)c1 1634005987 IBMKSPRAEMVEGM-OAQYLSRUSA-N 416.499 1.330 30 10 HDEE CO[C@@H]1C[C@H](N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1635605282 OPBHEKUKFRYWEP-DLBZAZTESA-N 405.520 1.921 30 10 HDEE C=CCN(C)CCN(CC)C(=O)C1(C(=O)OC(C)(C)C)CCS(=O)(=O)CC1 1635757530 ATJFZQFFWTZRHM-UHFFFAOYSA-N 402.557 1.489 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1636393359 JJKJQQHUCVUCEU-VNQPRFMTSA-N 415.247 1.428 30 10 HDEE COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1C(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1 1637438749 CFXIQRBRMWAUII-KKBVYLPWSA-N 401.488 1.631 30 10 HDEE COCCO[C@@H]1C[C@@H](CO)CN(C(=O)NC2CCN(c3ccccc3C#N)CC2)C1 1637449890 SNALCNSIOLKJFT-YLJYHZDGSA-N 416.522 1.582 30 10 HDEE CC(C)(C)OC(=O)N1CCOc2c(cccc2C(=O)N[C@H]2CCCN(O)C2=O)C1 1637667832 MBAJIQSIWWYFTF-HNNXBMFYSA-N 405.451 1.926 30 10 HDEE C#CC[C@@]1(C(=O)N2CCC(c3nc(N)n[nH]3)CC2)CCCN1C(=O)OC(C)(C)C 1638059292 KNVYGCLALMMOEF-FQEVSTJZSA-N 402.499 1.886 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@H](CO)Cc2cccc(F)c21 1639583832 LCPRZFYYDGJRNL-UKRRQHHQSA-N 417.462 1.562 30 10 HDEE CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1645085691 VGYYKXGGKBUNNT-KRWDZBQOSA-N 413.503 1.968 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCc1nc2cc(S(N)(=O)=O)ccc2n1CCC 1648999666 NXOZEBXOOIMMIV-CQSZACIVSA-N 408.524 1.470 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2csc(-c3ccn(C)n3)n2)c1 1649370482 HPWVXMVJMABFRM-UHFFFAOYSA-N 417.516 1.938 30 10 HDEE CN(C)C(=O)CN1CCCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1651789636 WJBMNLCWTULUAT-KRWDZBQOSA-N 401.486 1.146 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccccc2-n2nnc3ccccc32)CC1 1653017104 QGMOBRBVUNQVSR-UHFFFAOYSA-N 410.503 1.006 30 10 HDEE O=C1NC(=O)[C@H](CCC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)N1 1653036219 HTISMWLNZOAFHO-ACZMJKKPSA-N 423.260 1.604 30 10 HDEE COC1(OC)CCOC[C@H]1NCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 1654677189 XTMNNDNOPZGNRZ-MRXNPFEDSA-N 400.397 1.541 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)c(SC)c(F)c2)CC1 1660692214 OGKLKTFYOFYNQV-UHFFFAOYSA-N 404.464 1.304 30 10 HDEE C[C@@H]1CN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)[C@H](C)CO1 1664378475 DCFJEOSZNWYSJS-VXGBXAGGSA-N 402.314 1.708 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NC[C@]2(CO)COCC3(CCC3)N2C)cc1 1668209784 AEGNDAJGEADKQN-NRFANRHFSA-N 402.495 1.340 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC[C@H]([C@H](O)c2ccc(Br)cc2)C1 1682184289 ARFKUWFDQJDFOD-XJKSGUPXSA-N 409.284 1.544 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1685873010 STQGIIVIMYDSAT-BUAHTRFOSA-N 414.546 1.831 30 10 HDEE C#CCN1CCC(C(=O)N[C@@H](CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC(C)C)CC1 1688928513 JAISQMPNFJNMNU-YQPXSLGVSA-N 401.551 1.402 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC1(COC)CCOCC1 1690202855 HSOCNBOPGRYHEO-OXQOHEQNSA-N 401.511 1.665 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1690488071 JASZOMCGYIBOEY-UHFFFAOYSA-N 423.565 1.975 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(OC(C)C)nc1 1690515292 JSBNALQWVVKXTQ-CQSZACIVSA-N 408.528 1.741 30 10 HDEE C=CCn1c(N2CCCN(c3nc(C)ns3)CC2)nnc1[C@@]1(OCC)CCOC1 1690653106 CIXCVPJGCZHDLJ-LJQANCHMSA-N 419.555 1.993 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(C)CCOCC1 1692778999 AUFOSUGJVCJTLO-CXAGYDPISA-N 414.507 1.147 30 10 HDEE C[C@H]1COCCN1CCn1c([C@H]2CCC(=O)N2)nnc1N(CCC#N)CC1CC1 1693866570 GKINDMPSDIWJEM-DOTOQJQBSA-N 401.515 1.080 30 10 HDEE CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1694823731 STXOQGTZGSLCFA-DOLUGPGNSA-N 414.510 1.933 30 10 HDEE CCO[C@@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCN2CCC(O)CC2)CCOC1 1696030481 FZHSKUAQGDVQOE-UTKZUKDTSA-N 420.558 1.515 30 10 HDEE CCOCc1nnc(N2C[C@@H](C)OC(C)(C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696268385 CGSWZWDFKCHLQU-IAFNSTAXSA-N 418.498 1.345 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)N1CCC(OC)CC1 1705474920 HNGMGWGEGQPACJ-KRWDZBQOSA-N 416.570 1.861 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COCC)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1705501837 PAWXLCFWPPELAZ-GVDBMIGSSA-N 409.556 1.477 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1705548201 ZAUFZPSATRDPBZ-SVMVAKDDSA-N 419.570 1.887 30 10 HDEE C#CCSCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1705652443 ZGUMHUDCZKOBMU-UHFFFAOYSA-N 404.584 1.512 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N[C@@H](C)C(C)C)CC1 1705890448 QKTONTBCYWRXDQ-DOTOQJQBSA-N 423.583 1.743 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(=O)OC)C1 1705931906 FORKULGHMFKNGI-CQSZACIVSA-N 407.496 1.263 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C2CC2)cs1 1706625066 DPUQLCPTKVUUTM-ZDUSSCGKSA-N 401.496 1.527 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(O)CCN(C)C1 1709128151 FEVKFJHYXIDHLK-HSZRJFAPSA-N 423.565 1.491 30 10 HDEE CCn1cnnc1Cn1c(N(C)[C@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1710201083 HVCHLYUSKFYDKX-DNVCBOLYSA-N 402.503 1.717 30 10 HDEE C=CCCCN1CCN(C(=O)[C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1713145386 YASQOUZSYFXLRZ-YQPXSLGVSA-N 401.551 1.759 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1722452773 KRGAYEKQZIOESE-CALCHBBNSA-N 422.599 1.328 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@](C)(N2CCOCC2)C1 1722599175 CVOUFCQEISWKMH-LAUBAEHRSA-N 402.543 1.887 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1722599176 CVOUFCQEISWKMH-UTKZUKDTSA-N 402.543 1.887 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1722620052 IIUWFLDRLHKKOH-JWTNVVGKSA-N 403.527 1.704 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2nccn2C(F)F)C1 1722709165 KIWRQZYOGCILJC-AWEZNQCLSA-N 421.452 1.935 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC(C)(C)OC[C@@H]1C 1722725527 MVMANKPKSWMBKY-HNNXBMFYSA-N 405.524 1.945 30 10 HDEE CC(C)COCCCn1c(-c2cnccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1723497061 HSZNEEVKNUSMGK-SFHVURJKSA-N 410.526 1.974 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1723773966 JJVOYPZMPPJYNI-UFOSLELVSA-N 406.450 1.605 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1C1CC1 1730872359 YLEZCCCKEFBXFX-HNNXBMFYSA-N 414.514 1.577 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](F)COC)CC1 1740705489 IETNYQFRBWJTBZ-IRXDYDNUSA-N 407.490 1.470 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1740794631 FJTIKCZWQWLUOZ-GUDVDZBRSA-N 405.543 1.532 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CCOc1ccc(S(C)(=O)=O)cc1 1740889841 MCRALIBRGNLHLE-UHFFFAOYSA-N 421.523 1.521 30 10 HDEE C=CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740942476 QUVNQLHLKKVFBV-IBGZPJMESA-N 412.556 1.199 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(C(N)=O)(c2ccccc2)CC1 1740987089 OZEVISFWCHHOGH-UHFFFAOYSA-N 417.535 1.211 30 10 HDEE Cc1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N(C)[C@@H](C)CC(N)=O)no1 1742134101 BOVXSZPCZNXNEO-ZDUSSCGKSA-N 409.450 1.774 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CC[C@@H]2COCCO2)cc1 1742282798 BMHGAZGLMWCLKB-RTBURBONSA-N 413.478 1.700 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1748774180 VVCGGLNHSNFWKO-UHFFFAOYSA-N 404.276 1.192 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1748812345 SVGCEDAJGSEQMG-OAHLLOKOSA-N 422.470 1.480 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCCNS(C)(=O)=O 1748923066 RWCLXVGJIWYUPY-UHFFFAOYSA-N 400.508 1.825 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccccc1OC 1748929111 DDRDHBIOQPTQRN-QGZVFWFLSA-N 402.520 1.891 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1CCCN1CCOC1=O 1748935620 ZMPRADFLCPCZHT-UHFFFAOYSA-N 416.507 1.571 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1749286917 VGBVJXGLHMUTCS-AUUYWEPGSA-N 422.555 1.056 30 10 HDEE COCc1nocc1Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H](C)C#N 1749463924 YCWJTLCQBFJNTQ-ZQIUZPCESA-N 404.471 1.781 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC[C@H](Cn2nc(C)nc2C)C1 1749723948 DNIDAGCUQFMVFE-KRWDZBQOSA-N 407.544 1.312 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2COCCO2)C1 1750057258 RKHJSKQKEBWUTH-OALUTQOASA-N 413.478 1.474 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1760107063 KGYUNGCNBJSZEG-INIZCTEOSA-N 404.474 1.810 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](OCC)c1ccccc1 1760162727 FKNVBJPJEOFZPW-WBVHZDCISA-N 405.524 1.736 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOCCOC)CC1 1760260574 YAROUVQSSCPLKQ-UHFFFAOYSA-N 408.506 1.845 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCOCCN(C)C)CC1 1760262595 SCOXPWBPKRJKAS-UHFFFAOYSA-N 414.529 1.341 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC(C(=O)NC)CC1 1760434708 KBHWPPHYVXFEKW-UHFFFAOYSA-N 421.509 1.849 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC(N2CCCC2=O)CC1 1760442374 OMEFSDYBLMFGRW-UHFFFAOYSA-N 400.527 1.958 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@H](CC)O[C@H](C)C1 1760514919 OLUNMLQDXVLZQP-ZBFHGGJFSA-N 406.531 1.502 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCO[C@H](c2cnn(CC)c2)C1 1760523407 XHCOWAOSPZXBNP-SFHVURJKSA-N 422.493 1.437 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C)c2ccccc2C1 1760523830 IXWXBPZHUCLGHK-GOSISDBHSA-N 410.522 1.931 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)NC(C)C)C1 1760541012 SVFMEXNESRXBEN-MRXNPFEDSA-N 422.555 1.393 30 10 HDEE CC(C)(O)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1760819443 DUZNOSOZWBNMAH-UHFFFAOYSA-N 404.478 1.704 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2nncn2C)cc1C 1761806122 CWAXRAKDQFLPRS-FQEVSTJZSA-N 423.456 1.766 30 10 HDEE CCc1nnc(N2CCO[C@@H](C(C)(C)C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1764943842 ULFVPCRBZCVACF-BQASMSSTSA-N 402.499 1.618 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCCCS(C)(=O)=O 1767492609 WCNQQTZWLITLLB-GOSISDBHSA-N 408.503 1.940 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1768445016 IBEBXDTVQYCDML-UHFFFAOYSA-N 417.473 1.958 30 10 HDEE CSC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1770469085 GOZQGVXYXFVEKP-XJKSGUPXSA-N 413.544 1.908 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(O)cc2)CCO1 1771536025 GUFGOQVSOQDFCI-QGZVFWFLSA-N 419.445 1.602 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)[C@H]3CC(=O)N([C@H]4CCc5ccccc54)C3)CC2)n1 1851294461 TZRPCEZNKOCVNP-PXNSSMCTSA-N 416.485 1.533 30 10 HDEE Cn1cc(Cl)c(C(=O)O[C@@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852366955 AHWKJIXJEHSWKI-MRXNPFEDSA-N 404.854 1.882 30 10 HDEE N#Cc1ccc(C(=O)CN2CCN(C(=O)[C@H]3COc4ccccc4C3)C(=O)C2)cc1 1853944449 HLZLWBCVVLLWFE-LJQANCHMSA-N 403.438 1.663 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCN(CC)CC)C3(CCCCC3)C2=O)CC1=O 1853947184 KPKAXMAXQRCECZ-LJQANCHMSA-N 418.582 1.736 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccc(F)cc2)C1=O 1854131912 UYWZPPCOQBDFDQ-MOPGFXCFSA-N 401.482 1.995 30 10 HDEE C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)C(C)(C)C1=O)[C@H]1CCOC1 1854515713 CQIKMBCYTYSESL-HOCLYGCPSA-N 419.503 1.369 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(OC)c(OC)c3)C2)C(=O)[C@@H]1C 1854822016 WZUOUGUKMYJCBW-JKSUJKDBSA-N 415.490 1.692 30 10 HDEE Cc1c(Br)cccc1C(=O)N1CCN(S(=O)(=O)CC#N)[C@H](C)C1=O 1854873114 ZGBXFVKLUVGOGU-LLVKDONJSA-N 414.281 1.284 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCC[C@@H](N3CCSc4ncccc43)C2=O)CC1=O 1854981011 VNGIJDGIGXMVGY-GOEBONIOSA-N 400.504 1.546 30 10 HDEE CS(=O)(=O)c1ccccc1C(=O)N1CCC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1855110834 XFONFOTZBFHNQH-DOTOQJQBSA-N 415.515 1.847 30 10 HDEE N#C[C@@H]1CC12CCN([C@@H]1CCCCN(C(=O)CCCn3ncccc3=O)C1=O)CC2 1855408858 VGSBRVQLUBAREV-ZWKOTPCHSA-N 411.506 1.557 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(CCCC#N)CC2=O)cc1 1855563077 LCWQOCLLGMADCR-UHFFFAOYSA-N 406.508 1.305 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CCN(Cc4ccccn4)CC3)C2=O)cc1C#N 1855657495 IOLFGSAOUIWYQA-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE COCCn1cc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@H](C)C2=O)cn1 1855922959 ZUOKAZRNNVGVSY-MRXNPFEDSA-N 411.462 1.153 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)CC1=O 1855957937 ZXMGWSYVFMRZCV-WMZOPIPTSA-N 410.474 1.031 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)c(C)c1 1856219620 YIOFLJDTPSWTJH-INIZCTEOSA-N 405.476 1.965 30 10 HDEE Cn1nc(-c2ccccn2)cc1C(=O)N1CC[C@@H](N2CCC3(CC2)C[C@H]3C#N)C1=O 1856531443 IENAKFUKVIRTCI-MAUKXSAKSA-N 404.474 1.849 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N3CCC[C@H](Oc4ncccn4)C3)C2=O)cc1C#N 1857439643 RIOCFYURAYHWNA-OALUTQOASA-N 405.458 1.941 30 10 HDEE COc1cc(OC)cc(N2CC(=O)C(c3nc(C)c(C(=O)N(C)C)s3)=C2N)c1 1873529463 DYUOWHWYILZOFC-UHFFFAOYSA-N 402.476 1.887 30 10 HDEE C=CC1(NS(=O)(=O)c2c(N)cc(Br)cc2Br)CNC1 1884980429 XTMLNBLAZWVSFS-UHFFFAOYSA-N 411.119 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2cncc(B3OC(C)(C)C(C)(C)O3)c2)C1 2086897104 DTDNUHKEJHFPSH-UHFFFAOYSA-N 403.288 1.730 30 10 HDEE COC1(CCNS(=O)(=O)N2CC[C@H](C#N)C2)CN(C(=O)OCc2ccccc2)C1 2118161979 GISYQJUDDDLYAW-QGZVFWFLSA-N 422.507 1.094 30 10 HDEE CN(C)[S@@](=O)(=NCC1(O)CC(C#N)C1)N1CCN(C(=O)OC(C)(C)C)CC1 2165187245 CXMQJOZMVZWPRN-IPBPRUJGSA-N 401.533 1.063 30 10 HDEE CCN[C@@H](C#CP(C)(C)=O)C1(O)CCN(CCNC(=O)OC(C)(C)C)CC1 2233748291 CBKQUKUBVLFANK-INIZCTEOSA-N 401.488 1.900 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2243384191 LSRZZZIZZPRWPY-QWHCGFSZSA-N 406.292 1.115 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2[C@@H](C(=O)NCC=CB3OC(C)(C)C(C)(C)O3)[C@H]21 2243686027 GKCOJJLECHWHST-RRFJBIMHSA-N 408.304 1.925 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n(C)n1 2247822367 DGXRPDDCEFQFKH-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405849 UDPIGHCAAIPGRB-DOMZBBRYSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N=S2(=O)CCCC2)OC1(C)C 2267474559 XCHPLQRXMTZOQE-UHFFFAOYSA-N 406.360 1.534 30 10 HDEE Cc1cc(S(=O)(=O)N(C)C2(CO)CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282312000 PQWPNZMMLJHRIF-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C)C[S@@](C)=O)ccc1B1OC(C)(C)C(C)(C)O1 2282317119 MSLSTSRSHOGVOA-ZJWNCGCPSA-N 401.359 1.340 30 10 HDEE CC1(C)[C@@H](O)CCCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282331310 MARPNAVSTGJHOL-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE C[C@H](NS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)[C@H]1CCSC1 2282334925 IBNUPHDSOOLSHM-RYUDHWBXSA-N 401.363 1.139 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CCN1 2282349304 WTWKZLUXPREUHZ-STQMWFEESA-N 400.375 1.714 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@]1(Cl)CC1(F)F 2282414378 RTHBAKJLQPKNKY-CYBMUJFWSA-N 411.667 1.014 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2C[C@H]3CSC[C@@H]3C2)OC1(C)C 2282490467 HQXLAQPBKXOIKE-RYUDHWBXSA-N 416.399 1.567 30 10 HDEE CC[C@@H]1CNCC[C@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495194 JBGHKNLYRDPCNJ-TZMCWYRMSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](O)C[C@@H](F)C2)OC1(C)C 2282500607 LUTDRJUJFQNZSE-OLZOCXBDSA-N 405.322 1.282 30 10 HDEE C[C@@H](CC(N)=O)NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282505140 ZIUYUXXAJHAVLV-JTQLQIEISA-N 402.709 1.181 30 10 HDEE CSCC[C@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282510862 FQPOJSNFFUNPRW-NSHDSACASA-N 403.379 1.448 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N(C3CC3)C3CNC3)cc2Cl)OC1(C)C 2282828858 VZAKPGBOPGPGHV-UHFFFAOYSA-N 418.777 1.826 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3[C@@H]4COC[C@H]34)cc2Cl)OC1(C)C 2282829787 KHORRLUQQCALKY-RTCCRHLQSA-N 419.761 1.871 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H](N)CC3)s2)OC1(C)C 2282850836 UDVVMLBVZVXALR-CHWSQXEVSA-N 400.375 1.986 30 10 HDEE CC1(C)[C@@H](CN)C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282852921 WEILXVPBDVRPAK-VXGBXAGGSA-N 400.375 1.699 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CC[C@@H]3C(=O)O)c2)OC1(C)C 2284399213 HPQRWCWPITUQGA-PWSUYJOCSA-N 401.315 1.436 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)[C@H]1C[C@H]1C(=O)O 2284406088 UCAWUXAJFYSKEC-HBNTYKKESA-N 401.315 1.435 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2284415407 XJMVFNQRSYQGQR-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE Cc1nsc(N2CC[C@@H]3CN(C(=O)C(C)(C)CN4CCOCC4)C[C@@H]3C2)c1C#N 2297715045 ZTJNLKWXIBIYJK-SJORKVTESA-N 417.579 1.966 30 10 HDEE O=C(C=Cc1ccco1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccnc1 2314522411 IIPGVTCJQKQJJU-HXUWFJFHSA-N 409.442 1.985 30 10 HDEE C#C[C@H]1N(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CC1(C)C 2314549293 VNVYAGTWWKXRPA-JKSUJKDBSA-N 408.476 1.128 30 10 HDEE CS(=O)(=O)C1(C#C[C@@]2(OCC(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)CC1 2342038793 AIISJNKISOFWOR-UZLBHIALSA-N 421.471 1.496 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362338039 BPQZSGRNVCAKBG-ZIAGYGMSSA-N 405.304 1.333 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2365196762 PVLUSLCCGPNBEB-CVEARBPZSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)O1 2365207235 MJWGYUUSVSIBDL-BZUAXINKSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1[C@@H](O)C#CC1(S(C)(=O)=O)CCC1 2367790798 VZUJBSZNBVBQSM-CABCVRRESA-N 401.525 1.733 30 10 HDEE CS(=O)(=O)C1(C#CC(=O)[C@H](O)c2ccc(I)cc2)CC1 2367845646 CAFMMWYDXVMHAX-CYBMUJFWSA-N 404.225 1.474 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 23266012 VNASHFKIVQHZET-KRWDZBQOSA-N 402.564 1.824 30 10 HDEE C[C@](O)(CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc2c(c1)OCO2 90595349 AKWCFWCUKDHFAF-IBGZPJMESA-N 401.806 1.903 30 10 HDEE C[C@@H](Oc1cccc(C#N)c1)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 108986747 GHTAHLGIRVDHNN-OAHLLOKOSA-N 423.498 1.739 30 10 HDEE C=CCN1C(=NC(=O)Cc2ccc(OC)c(OC)c2)S[C@H]2CS(=O)(=O)C[C@H]21 254568486 HFLKWFOKJKCMQY-CJNGLKHVSA-N 410.517 1.529 30 10 HDEE Cc1oc(NC(=O)CN2CCC(CC(=O)N3CCN(C)CC3)CC2)c(C#N)c1C 303330047 CLJPZPAVZJVTER-UHFFFAOYSA-N 401.511 1.583 30 10 HDEE N#C[C@@]1([C@H](O)c2c(Br)cncc2Br)CCS(=O)(=O)C1 394544144 WOLBDDDJPGGZBP-MNOVXSKESA-N 410.087 1.968 30 10 HDEE CC1(C)OB(c2cc(NS(=O)(=O)N3CCOCC3)ccc2Cl)OC1(C)C 404958156 YMROWSNUJMKZBU-UHFFFAOYSA-N 402.709 1.628 30 10 HDEE N#CCCn1ncc(C(=O)N[C@H]2CCN(C3CCOCC3)C2=O)c1-c1ccccc1 428650701 WHYSWSLHWGICLH-IBGZPJMESA-N 407.474 1.973 30 10 HDEE N#CCCn1ncc(C(=O)N[C@@H]2CCN(C3CCOCC3)C2=O)c1-c1ccccc1 428650702 WHYSWSLHWGICLH-LJQANCHMSA-N 407.474 1.973 30 10 HDEE N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N[C@H]1CCN(C2CCOCC2)C1=O 443368526 JOQVXARTOVINOM-AWEZNQCLSA-N 417.409 1.635 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2c1cc(C#N)c2cc([N+](=O)[O-])ccc2n1 443503959 WEHYQNKCKIDPQQ-AHCXZYCDSA-N 410.386 1.944 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H]1CCCN(c2ncccn2)C1 464952515 MCRXDMUTIVITGE-JKSUJKDBSA-N 407.482 1.027 30 10 HDEE COCCC1(CNC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCC1 472270134 TYBQWHQXDCJLLM-UHFFFAOYSA-N 420.535 1.781 30 10 HDEE COc1cc(C#N)cc(Br)c1OCC(=O)N1CCN(C(=O)C2CC2)CC1 479955927 IMYNCWZUWUIWCI-UHFFFAOYSA-N 422.279 1.789 30 10 HDEE Cn1cc(C#N)cc1C(=O)NCc1cccc(CNC(=O)c2cc(C#N)cn2C)c1 496740634 VTODQKYDGHKBMX-UHFFFAOYSA-N 400.442 1.967 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](CC)C1 508497598 MIWVCKFRTOVVGF-KBPBESRZSA-N 401.558 1.129 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 508816552 JUUUSFSHQFGTKC-OAQYLSRUSA-N 408.510 1.355 30 10 HDEE C=CCn1c(-c2ccoc2)nnc1N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 509010089 CYGBBRJAAAXIGF-MRXNPFEDSA-N 409.512 1.601 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)s2)c(=O)n1-c1ccccc1C#N 515662602 RMEHCDZZAKLMOC-UHFFFAOYSA-N 406.492 1.390 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)ccc1Cl 525020184 RQXINTFOANISOV-UHFFFAOYSA-N 409.855 1.068 30 10 HDEE N#Cc1cc(S(=O)(=O)Nc2ccc(C[C@@H]3NC(=O)NC3=O)cc2)ccc1Cl 536702882 OIRQBITUFWWSBT-HNNXBMFYSA-N 404.835 1.763 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCCS2)CC1 541480239 LNWXHEOOWSRIEK-INIZCTEOSA-N 408.549 1.860 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 558076462 JDTBLDZNXDLNSL-IBGZPJMESA-N 417.469 1.129 30 10 HDEE COCC#CCn1cnc(I)c1I 575453745 LOIVVIMRSULMTQ-UHFFFAOYSA-N 401.973 1.742 30 10 HDEE C=CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC 576194217 ZNMRINOHJYLDPC-AWEZNQCLSA-N 413.496 1.165 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)ccc1F 609459950 QXDDBTWYYSMWBQ-XHSDSOJGSA-N 407.467 1.746 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)[C@@H]1CCCN1c1ccc(C#N)cc1 610982375 AZAJFSZWHOUVKB-GFEQUFNTSA-N 411.458 1.479 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccccc2Br)nn1)[C@H]1CCS(=O)(=O)C1 729333899 BJFOAPZIIPLRTI-LBPRGKRZSA-N 423.292 1.292 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1ccc(=O)n(Cc2ccccc2)c1 732419970 GCUGMDKCGVTHHV-FMQUCBEESA-N 407.430 1.545 30 10 HDEE CON(C)S(=O)(=O)c1cc(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)ccc1Cl 732651082 UABUGLMJBJLIAC-AWEZNQCLSA-N 412.899 1.334 30 10 HDEE C[C@H](CC(=O)N1CCC[C@@H](n2ccnc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742633765 HSVFVEVYFNEESU-HUUCEWRRSA-N 401.492 1.564 30 10 HDEE CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 750627335 FCJMZSRMPSOAJN-ISLYRVAYSA-N 415.450 1.435 30 10 HDEE Cn1cc(C#N)cc1C(=O)NS(=O)(=O)c1ccc(I)cc1 760314851 PJHQAUMAEKHEIR-UHFFFAOYSA-N 415.212 1.620 30 10 HDEE CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 760779199 VMCLJAKJAYTRDW-UHFFFAOYSA-N 419.894 1.477 30 10 HDEE C#CCN(Cc1nc(-c2cc(OC)c(OC)c(OC)c2)no1)[C@H]1CCS(=O)(=O)C1 767891580 GRYSFGAQEVBUCZ-AWEZNQCLSA-N 421.475 1.385 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCCc1ccc(OCC(F)(F)F)nc1 775402310 CSALQDCJYGUACF-WUKNDPDISA-N 412.368 1.598 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCc2ccc(C#N)cc2)[C@H](C)O)cc1C 777303048 APWPLXGPIGSVTG-HNAYVOBHSA-N 402.472 1.946 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@H](O)C(F)(F)F)n2)c(Cl)c1 782773815 KZBLQLHCIUHXRW-NSHDSACASA-N 401.732 1.375 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)/C=C\c2ccc(F)cc2)c1C#N 783601936 YXOYSDQEGJRBBC-LUAWRHEFSA-N 405.455 1.912 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2c(C)nc(-c3cccnc3)nc2O)n1 790105026 OULFXPMMPMTLFC-UHFFFAOYSA-N 420.473 1.600 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H](c2ccccc2)N2CCN(C)CC2)n1 790108118 UITQPKFLNGICPU-QFIPXVFZSA-N 409.534 1.480 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)C1 795816574 JVFPFUYMIUDSLX-WOJBJXKFSA-N 412.490 1.257 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)CCN(CC)CC)ccc2c1=O 798144087 VSQBZZPPQNNEAX-HNNXBMFYSA-N 404.536 1.694 30 10 HDEE C#C[C@H](NS(=O)(=O)CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)cc1 810100099 WOWNYLZCRBQUHL-INIZCTEOSA-N 404.941 1.605 30 10 HDEE C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)NCCN/C(O)=C1\N=CC=CC1=O 812038625 QNWICBIQQQSYAW-SAFUZZNQSA-N 407.471 1.210 30 10 HDEE N#CCCOCCOC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 815248195 SJDDYJHQSBNBOA-BUAHTRFOSA-N 420.465 1.939 30 10 HDEE CC(C)n1ncc2cc(/C=C\C(=O)NS(=O)(=O)c3ccc(C#N)cc3)c(=O)[nH]c21 916774562 RKZFPJOKQNVPOV-YVMONPNESA-N 411.443 1.695 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=Cc3ccccc3OC)n2)o1 1084619250 QMVOFRWJSGGYMB-UHFFFAOYSA-N 416.467 1.613 30 10 HDEE C=CCO[C@@H]1CCN(C(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1116536717 HOWBYLWPOIVXEQ-MRXNPFEDSA-N 411.549 1.681 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](C)C(=O)NCCc3ccccc3)cc2C1=O 1129034004 UMXNURBEPGEGJW-HNNXBMFYSA-N 405.454 1.946 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(Cl)cc3N)CC2)cc1 1136149815 ZXIKINAZGXNICB-UHFFFAOYSA-N 404.879 1.941 30 10 HDEE C#Cc1ccccc1CC(=O)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1142426907 VTLNWIAMCMZPOZ-UHFFFAOYSA-N 401.444 1.556 30 10 HDEE N#Cc1cccc(ONC(=O)[C@@H]2CCCN2C(=O)/C=C\c2ccc(C(N)=O)cc2)c1 1151432212 SASIQGCVPLCPOX-POGDKVGISA-N 404.426 1.772 30 10 HDEE CC(=O)OC[C@@H](CO)NC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1154151177 BIKZIGFQGWFIPN-AEFFLSMTSA-N 417.462 1.433 30 10 HDEE C#CCN(CC(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1)C(=O)OC(C)(C)C 1157849735 RWKRNAUWQWJEDC-KGLIPLIRSA-N 417.428 1.726 30 10 HDEE Cc1c(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cnn1C1CCOCC1 1159418495 AJOASBDRKVZHHH-UHFFFAOYSA-N 417.491 1.610 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1)c1ccccc1 1163097577 ZSOQXFHVOMZAID-OKYOBFRVSA-N 402.516 1.587 30 10 HDEE CSCC[C@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)N1CCO[C@@](C)(C#N)C1 1179393619 CPVZFOYSGVOOKX-PFKDWWJVSA-N 423.560 1.839 30 10 HDEE CN(C)[C@@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1c(F)cccc1Cl 1181000124 LAFIGQVQXQSVHN-OAHLLOKOSA-N 405.817 1.299 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H]1CCCS(=O)(=O)C1)c1ccc(Br)cc1 1211981746 LZDOSZNBLUZRQF-DOMZBBRYSA-N 420.350 1.868 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C)S(=O)(=O)C2)cc1 1214686578 BAKCORNHSRKHJD-DZGCQCFKSA-N 415.537 1.580 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 1253779023 IHPZLZFQZCJFOB-IAGOWNOFSA-N 422.526 1.278 30 10 HDEE N#C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C(=O)[C@@]1(F)CCOC1 1258363582 FKDKIEKWIOXGDD-VQIMIIECSA-N 423.466 1.637 30 10 HDEE CC(C)C#CC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1285030429 AVANFPURXUXZAM-JBCKWKTNSA-N 400.519 1.582 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(CNC(C)=O)CC1 1286323129 ISPSMGAPDWSHKA-GOSISDBHSA-N 421.567 1.336 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1nncn1-c1ccccc1 1286450819 YYDCACALTKKYOB-UHFFFAOYSA-N 404.478 1.489 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CC2(CC)CCOCC2)CC1 1286492398 JYTNMWYBABCTKQ-UHFFFAOYSA-N 417.554 1.987 30 10 HDEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286686207 CSSUBSXNTIMQAA-MRXNPFEDSA-N 409.494 1.152 30 10 HDEE C=CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](C)(C(N)=O)C1 1286703713 QUPCMKSWKAHKOQ-LJQANCHMSA-N 402.524 1.938 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1286785101 DTBYMJUILCLQCI-MRXNPFEDSA-N 413.482 1.357 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CCCOCC1 1286821321 HGODTQHKMIBVOV-UHFFFAOYSA-N 408.499 1.836 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1286966440 STTFFQMEZNNMOD-RYRKJORJSA-N 421.505 1.878 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCSC[C@@H]3c3nn[nH]n3)CC2)c(F)c1 1296688971 IEQVOHVOHRTOQR-MRXNPFEDSA-N 401.471 1.744 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(O)CCC[C@@H]1C 1297188452 LVHUKZKEGKZXNR-LHSJRXKWSA-N 412.494 1.901 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1300509617 QKNUHZPHBQMMFU-KSZLIROESA-N 420.583 1.082 30 10 HDEE C#CCSCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)[C@H](C)C1 1300732354 MPCYDHMPROZVCN-CQSZACIVSA-N 406.556 1.230 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccc2F)n1CCNS(C)(=O)=O 1300808288 KULAELFKIIMBOJ-LJQANCHMSA-N 405.499 1.549 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCN(CCOC)C(=O)C1 1300880833 LBDONLRYIPXLEK-LPHOPBHVSA-N 414.510 1.549 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)cn2C)nnc1N1CC(C)(OC)C1 1301482707 ARZPQWSZZPIMOU-UHFFFAOYSA-N 423.315 1.573 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC[C@@H]1CSC 1301520612 JPUSYRGIQFXRJZ-UXLLHSPISA-N 409.556 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1301588471 ZZPVUZAHJMJKBW-UHFFFAOYSA-N 424.571 1.168 30 10 HDEE COCCN1C[C@@H](Cn2c(Cc3ccccn3)nnc2N(C)[C@H](C)CC#N)CC1=O 1301862467 HTHOVSVCUPCWCR-SJORKVTESA-N 411.510 1.497 30 10 HDEE CC(C)Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCn1cnnn1 1302908537 SECHLWHRXKBJRF-UHFFFAOYSA-N 408.470 1.088 30 10 HDEE COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 1304218887 RZYYGTYSPVANCW-XOUADPBQSA-N 419.503 1.209 30 10 HDEE Cc1nc(Cc2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)cs1 1304669304 FOAVQEJWOCYMIQ-GOSISDBHSA-N 415.567 1.973 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(S(=O)(=O)NCCOC)c2)C1 1310666627 PYNJOSKEIONFDJ-OAHLLOKOSA-N 409.508 1.887 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)Nc2cc(Br)cc3c2NC(=O)CO3)C1 1311156310 YGKOWKNIWUIZMG-GFCCVEGCSA-N 407.268 1.999 30 10 HDEE CCOC(C)(C)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1314054655 GMGKTEMMPRNXFL-OXQOHEQNSA-N 407.515 1.863 30 10 HDEE C#CCN(C(=O)c1ccc(NC(=O)c2ccc(O)nc2)cc1)[C@@H]1CCS(=O)(=O)C1 1318285239 PMERAKKGOGMODL-QGZVFWFLSA-N 413.455 1.302 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)NCc1cccc(OCC(F)(F)F)n1 1321356093 ACHDDNXADCILEL-CCEZHUSRSA-N 413.356 1.348 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 1354562177 ALVJASBYYRZRBZ-CQSZACIVSA-N 400.522 1.647 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1nc2cc(OC)ccc2n1C 1358870643 QIGFKPVKCFQZLP-CQSZACIVSA-N 409.494 1.818 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1358903541 AUNQSJVMXSKTTM-FVJLSDCUSA-N 403.527 1.993 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@@H]1C(=C)C)[C@@H]1CCS(=O)(=O)C1 1358967844 UHAGBQOAABADCO-YQVWRLOYSA-N 422.551 1.423 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CCOc1ccc(OC)cc1 1358992602 QIFPOXSTLCCKQC-LJQANCHMSA-N 407.474 1.780 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCC2(C1)OCCO2 1359024991 ZTTBEOIUWIWDNX-ZWKOTPCHSA-N 404.511 1.801 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN(C)C(C)C 1359064640 XMPUUSZSMKSRNY-VQIMIIECSA-N 410.588 1.611 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)COC)CC1 1359165101 GRHIEBLOJPTZNB-HOTGVXAUSA-N 413.544 1.050 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CC[C@H](S(C)(=O)=O)C1 1359326470 AXUPITUVFHGQEQ-KBPBESRZSA-N 404.558 1.016 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)CC1CC1 1359332710 FEQKYXXMSLPMHO-OAHLLOKOSA-N 416.569 1.017 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)o1 1438199055 RIYPSFRNDVBHAU-IBGZPJMESA-N 424.505 1.483 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCCCOc1cccc(C#N)c1 1438314538 ZZCQMATXVYXECN-INIZCTEOSA-N 408.476 1.296 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCC(=O)NC2CC2)C1 1446957825 HGKJXFFOZBEAKY-UHFFFAOYSA-N 405.296 1.932 30 10 HDEE CC(C)(C)OC(=O)C(=O)N1CCN(C(=O)c2cnc(C(F)(F)F)c(C#N)c2)CC1 1452706225 GVLBZVFDUYNNAU-UHFFFAOYSA-N 412.368 1.598 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1454674625 DADPLOGFHUHYDM-HXUWFJFHSA-N 401.467 1.106 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC#C[C@@H]1CCCCO1 1457030155 MSFMWLBHNDEAPF-INIZCTEOSA-N 422.503 1.018 30 10 HDEE N#C[C@@H](NC(=O)c1cn(C[C@H]2CNC(=O)O2)nn1)c1ccc(OC(F)(F)F)cc1 1458439425 LHRKMOHZRXNCOV-VXGBXAGGSA-N 410.312 1.280 30 10 HDEE COc1ccc(C(=O)N2CCN(C[C@@H](O)CC3(C#N)CC3)CC2)c(OC)c1OC 1459626212 NDMIGVVFKKOPCZ-HNNXBMFYSA-N 403.479 1.525 30 10 HDEE C=CCn1cc(C(=O)Nc2ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc2)nn1 1459941932 NLTVNKABASTADM-ZDUSSCGKSA-N 401.423 1.024 30 10 HDEE C=CCn1cc(C(=O)Nc2cc(Br)ccc2N2CCN(C)C(=O)C2)nn1 1461503737 QASKAVGQBLZXDU-UHFFFAOYSA-N 419.283 1.757 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2CC(=O)OC)cc1 1464233412 VUCAVJFVNKONCC-HNNXBMFYSA-N 401.506 1.156 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)OC)CC1 1464592590 VURSYPJHVVBYTI-UHFFFAOYSA-N 404.410 1.868 30 10 HDEE C#C[C@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 1464968690 MKLLBNXUMWMTSM-TVEAVKIZSA-N 405.520 1.905 30 10 HDEE C#C[C@@H](NC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1)C1CCOCC1 1468502362 DHDVMWHUQNIGFO-LJQANCHMSA-N 418.925 1.716 30 10 HDEE Cc1ccc(CNC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1C#N 1471298303 LANBECZPJKESPY-UHFFFAOYSA-N 408.524 1.449 30 10 HDEE C#CC[C@H](CCOC)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1475544774 GNDSEJJBDOYCJJ-OAHLLOKOSA-N 406.504 1.657 30 10 HDEE N#CC1(CNS(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCOCC1 1475778878 HAUMEUFRYGMQTP-GOSISDBHSA-N 421.519 1.885 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCC3(C2)OCCO3)cc1 1475974004 QDKLCBKTRRNUOC-UHFFFAOYSA-N 424.523 1.063 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1476109963 PGIYUNNLXDVHRZ-SFHVURJKSA-N 415.538 1.447 30 10 HDEE CN1CCN(c2cc(CNC(=O)N3CCN(c4ccc(C#N)cc4)CC3)ccn2)CC1 1477400273 AYJQLEGEJHMZHO-UHFFFAOYSA-N 419.533 1.737 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)COCCO1 1496840493 NFMDGJWWWFVWAL-RBUKOAKNSA-N 408.478 1.444 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@@](F)(C#N)C3)n2CCCNC(C)=O)cc1 1504305520 IBFLSJDXXBASOY-HXUWFJFHSA-N 416.457 1.834 30 10 HDEE COCCOC1(Cn2c([C@@H]3CCOC3)nnc2N2CCC(C#N)CC2)CCOCC1 1505007625 JWQZAKOZQLHGOV-GOSISDBHSA-N 419.526 1.734 30 10 HDEE CS(=O)(=O)CCCCCn1c(C2CC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1505131232 LWEDZOWPAYQRTP-KRWDZBQOSA-N 406.556 1.547 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCO[C@H]1C(=C)C 1507612509 WHJAJNWLDGXNIN-MJGOQNOKSA-N 404.478 1.971 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCCS1(=O)=O 1507666805 GZOJZDVBACGONO-MSOLQXFVSA-N 404.536 1.950 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1507795502 DPNWZIBBMKLFKF-QZTJIDSGSA-N 423.583 1.999 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(N2CCN(C)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1507806518 AWAMBPCRAIHTIL-DJPFJPOOSA-N 419.526 1.190 30 10 HDEE C=C(C)Cn1c(N2CC[C@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OCC)CCOC1 1507835089 KQELVZWXRFDGBX-JXFKEZNVSA-N 404.515 1.547 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1508076788 HVCYJJYUPNOKOA-ZHRRBRCNSA-N 422.489 1.503 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@H](n2cncn2)C1 1508144106 BDTFNHDXTRPRIM-INIZCTEOSA-N 407.544 1.510 30 10 HDEE CC(C)Cc1nnc(N2CC[C@@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1509175904 VIWPRJZEDCAYQC-JJCXBQPYSA-N 401.446 1.445 30 10 HDEE C[C@H]1COCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1512538221 CJBXQCGQHFMSPU-GOEBONIOSA-N 401.492 1.477 30 10 HDEE CNS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1517629115 HOJCFXTYNGJYKP-KRWDZBQOSA-N 418.523 1.577 30 10 HDEE COCCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@H]2C1 1519400968 DKZLUJWVKAGZJJ-QGZVFWFLSA-N 412.450 1.121 30 10 HDEE CS(=O)(=O)CCCCCn1c(CC2CCCC2)nnc1N1CCO[C@H](C#N)C1 1519522114 FVWUJPYBKYOKTF-QGZVFWFLSA-N 409.556 1.954 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)N2CCCCC2)C1 1521069278 HRIDBRKCEXDRGE-HXUWFJFHSA-N 417.489 1.245 30 10 HDEE CN1C(=O)CO[C@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H]1c1cccnc1 1521427262 VNTOJJHHPOEDIS-MSOLQXFVSA-N 403.402 1.071 30 10 HDEE C=C(C)C[C@@H](NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O)C(=O)OC 1531945261 DTORLFUECYPPEK-VFNWGFHPSA-N 417.462 1.395 30 10 HDEE C#CCC1(NC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CCOCC1 1537958035 YCUSCEOZYDBFEN-LJQANCHMSA-N 421.856 1.935 30 10 HDEE CN(Cc1cc(C#N)cs1)C(=O)c1ccccc1S(=O)(=O)N1CCOCC1 1538506221 VPNUETFGFNDYLO-UHFFFAOYSA-N 405.501 1.913 30 10 HDEE C#CCCCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1539059552 HPPUQPFSTBYWHL-UHFFFAOYSA-N 419.493 1.084 30 10 HDEE CC1(C)OC[C@H]2C[C@]21NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1539152146 SRATVRBRHDEIJK-UZLBHIALSA-N 403.504 1.643 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(OC)c1)[C@H]1CCS(=O)(=O)C1 1539226074 UFJDGIGNWZKHMG-SFHVURJKSA-N 414.531 1.914 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@]1(N(C)C)CCSC1 1539232597 JHLPUDVEMWUIMA-NRFANRHFSA-N 416.595 1.707 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F 1539260817 VGFPNPGDCFNVAR-OAHLLOKOSA-N 401.392 1.962 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@]1(O)CCN(C)C1 1539312560 UALHZKOVOZLKMT-DEOSSOPVSA-N 416.529 1.966 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCc2ccc(Cl)nc2C1 1540868849 UBPMYVHSEDZFAP-UHFFFAOYSA-N 410.869 1.648 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@]2(CCCOC2)C1 1540900728 FWNVDFBXPGTQKM-HXUWFJFHSA-N 417.535 1.948 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@]2(C)C[C@H](O)CN2C)c1 1542096338 JEVLEPASOPQGEA-GWBJCQBPSA-N 422.551 1.673 30 10 HDEE COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)cc1 1543110602 XPNYUGIMITXYHX-WCAVRKLYSA-N 410.518 1.899 30 10 HDEE N#C[C@]1(C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)C[C@H]2CC[C@H]1C2 1544085410 VBVGRILYURUZPT-DGCWBMGLSA-N 409.446 1.835 30 10 HDEE CCCCOCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@](C)(C#N)C1 1547074673 QKZOBHHDUBKVKR-QAPCUYQASA-N 412.560 1.835 30 10 HDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N)C(F)(F)F 1554623047 JBQTUNZXOMKTOR-RWMBFGLXSA-N 423.461 1.886 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)cc1 1556824256 ZPOXVQLPEHHOQQ-GXVATQTDSA-N 406.442 1.814 30 10 HDEE C#C[C@H](NC(=O)[C@H]1[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2C=C[C@H]1C)C1CCOCC1 1557576718 BLRJHNKBTGNGIB-YMILTQATSA-N 412.408 1.517 30 10 HDEE CC[C@@H]1C(=O)NCCCN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 1558490677 DDNMJNLKTZWEOE-MRXNPFEDSA-N 420.535 1.413 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@@]1(C)C(=O)N1CCc2c(sc(N)c2C#N)C1 1558675832 HFWWSSYZSJKUMK-WLRWDXFRSA-N 406.508 1.847 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N1CCN(c2ccc(C#N)cc2F)CC1 1564897445 PHUSSNVRAKHVPT-UHFFFAOYSA-N 403.487 1.672 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CCN2C1=O 1566237868 PMYKVONJNPACIK-CQSZACIVSA-N 421.251 1.194 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CNS(=O)(=O)c2ccccc2F)C1 1570830456 BIQATTWTIQPLRB-KRWDZBQOSA-N 416.478 1.713 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(NC(C)=O)nc1 1587556944 XDINZOZVMKUMHO-CQSZACIVSA-N 418.461 1.785 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OCCN2CCCC2)CC1 1587852553 WARITISHEAMFJU-IBGZPJMESA-N 414.554 1.724 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(OC)CCOC1 1588128915 UWOJHXNRJWKRKH-QFIPXVFZSA-N 418.457 1.472 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1Cc1nncn1CC 1588138518 DYZNZOLXYBETHG-GOSISDBHSA-N 403.446 1.523 30 10 HDEE C=CC1(CC(=O)N[C@@H]2CCc3nc(COC)nn3C2)CN(C(=O)OC(C)(C)C)C1 1588140915 WHRTWIVZJQXKPA-CQSZACIVSA-N 405.499 1.669 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](C)(O)c1cc(C)oc1C 1588223655 BLSRQOJAKQJZOR-AVRDEDQJSA-N 409.490 1.810 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NCC=C 1588387959 WSCLHWVXJQHACC-UHFFFAOYSA-N 408.510 1.214 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(C)C)nc1 1588560135 NQYNCKXCMCBGMN-UHFFFAOYSA-N 411.510 1.109 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CCn2cc([C@@H]3CCOC3)cn2)CC1 1588742791 UZSPQLSSNDVJTK-RTBURBONSA-N 411.554 1.947 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CC(F)(F)CO2)CC1 1588968363 JWMWOBTVVWWEAV-OAHLLOKOSA-N 411.453 1.205 30 10 HDEE C#CCSCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)[C@H](C)C1 1589088700 FYBTZUPNZCPPGO-MRXNPFEDSA-N 423.546 1.550 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1589110776 ZJJPAVLXQQMTLF-DLBZAZTESA-N 403.552 1.630 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCN(C)C(=O)[C@H]1C 1589558523 LLTJUBMSPVOAPO-KPFFTGBYSA-N 410.522 1.912 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1593636121 HHOUJQQKKJDZTE-CVEARBPZSA-N 410.540 1.531 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@]2(OC)CCOC2)CC1 1594193956 UBRLRUDSJWRNMC-KDOFPFPSSA-N 413.544 1.096 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cnn(C)c1 1596822485 LCVZDFZPMUBZSH-BFYDXBDKSA-N 411.514 1.228 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1619770154 AONGKFCSZXSWQY-KBXCAEBGSA-N 406.874 1.510 30 10 HDEE CCOc1ccc(C(=O)N2CSC[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1622395568 CUFAIDZGEYBRLB-KRWDZBQOSA-N 416.503 1.185 30 10 HDEE Cn1ncc(I)c1CNS(=O)(=O)c1ccc(C#N)cc1 1622485786 SVIJXMBHWWJSJI-UHFFFAOYSA-N 402.217 1.375 30 10 HDEE C=C[C@@H](C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)c1ccccc1 1623741111 HTPUFYXWTYOHOY-AZUAARDMSA-N 421.545 1.919 30 10 HDEE COC[C@]1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1624339580 VDKVYWOPAYENCB-VXSPLGDOSA-N 407.511 1.631 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1cc[nH]n1 1625095026 HSYBSFGLUYAFEL-QRWLVFNGSA-N 418.425 1.115 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1coc(-c2ccccc2)n1)c1cc[nH]n1 1626627876 QZAAWGRKVKEASS-UHFFFAOYSA-N 411.418 1.707 30 10 HDEE COCCCn1c(S)nc2cc(C(=O)NCc3ccnc(C#N)c3)ccc2c1=O 1626737142 HIVAHUYJIVQYEA-UHFFFAOYSA-N 409.471 1.918 30 10 HDEE Cn1cc(CN2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)cn1 1627012279 SEIRLMHIBIZNFH-QGZVFWFLSA-N 404.515 1.651 30 10 HDEE C#CC[C@H](NC(=O)c1cc(C)c(OCC(=O)N2CCCCC2)c(C)c1)C(=O)OC 1629617076 GBXCCPFVMTUSFI-SFHVURJKSA-N 400.475 1.989 30 10 HDEE N#Cc1ccc2c(c1)CCN2C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1629705936 OMPVPUQZSFZIBD-UHFFFAOYSA-N 418.862 1.178 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCC[C@@H]2C=NNC2=O)nnc1-c1ccco1 1630632489 UPCKVSBGWJBJAR-CYBMUJFWSA-N 402.480 1.835 30 10 HDEE COC(=O)C[C@@H](NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C1CC1 1631134833 YOMNFLYHXXKZKB-MRXNPFEDSA-N 421.519 1.743 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@](C)(CO)Cc2ccccc2OC)c1 1634474812 AFQHWHZMAKUCTJ-OAQYLSRUSA-N 416.499 1.330 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)s1 1635807258 CRZUIKWNXMVKCM-DEYYWGMASA-N 414.549 1.550 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)COc3ccc(C#N)c(Br)c3)C2)[nH]n1 1637086810 ZQZCQYBTHXXSBY-UHFFFAOYSA-N 419.235 1.835 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCCn2nc(C(F)(F)F)cc2C)cc1 1638383696 MBHWEUSNEXATAU-UHFFFAOYSA-N 414.409 1.552 30 10 HDEE Cc1ccc(C(=O)N[C@H](CCO)c2ccccc2F)cc1S(=O)(=O)NCC#N 1638882352 HNZYMYWKGFTAFH-QGZVFWFLSA-N 405.451 1.790 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC(O)(CC#N)C1 1638886432 LLFFOZSOOJNQTR-QGZVFWFLSA-N 402.495 1.499 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCOC)NC(=O)OCc2ccccc2)C1=O 1639594994 YEDZTLWQSJEYKY-MSOLQXFVSA-N 403.479 1.563 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1C[C@H](N2CCOCC2)C1(C)C 1640584018 GBOSZJULHPOLDT-OALUTQOASA-N 410.522 1.766 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H](O)C(F)(F)C1 1641047457 YSKCONDYGLQSMP-DZGCQCFKSA-N 415.462 1.368 30 10 HDEE CC(C)O[C@@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCOC1 1646169913 KSJHNRUTHJUBKM-LAUBAEHRSA-N 414.462 1.464 30 10 HDEE CCCCCCCC[C@@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N=C1N=CNN12 1648633228 DMDVJVVIVUICJN-HNNXBMFYSA-N 421.523 1.939 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2c3ccccc3OC[C@H]2CO)s1 1653521608 XSEPZIABQMMJIT-BFUOFWGJSA-N 422.528 1.613 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2CCCS(=O)(=O)C[C@@H]2c2ccccc2)nc1 1654922469 JXXYONDBJRLKDP-GOSISDBHSA-N 419.528 1.589 30 10 HDEE COC(=O)CC[C@H]1CCCN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 1660016179 GOYGTBCHQUGIPT-MRXNPFEDSA-N 403.483 1.169 30 10 HDEE COc1ccc(N2C[C@H](NS(=O)(=O)Cc3cc(C#N)ccc3F)CC2=O)cc1 1664366188 GFXOVACKTCAYDT-OAHLLOKOSA-N 403.435 1.931 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCOCC1 1665590373 NNRBLHIAUXUICG-UHFFFAOYSA-N 414.549 1.568 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N[C@@H]2CCN(c3sccc3C(=O)OC)C2=O)C1 1670063091 RIMUYOVQBSJTNQ-UKRRQHHQSA-N 404.492 1.037 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC(C)(C)c3ccccc32)CC1 1676218627 UYECAAVLJNWFJY-GOSISDBHSA-N 404.536 1.594 30 10 HDEE CCn1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)c(O)nc1=O 1676908712 YVUUYHCJVSDOCY-UHFFFAOYSA-N 400.414 1.011 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 1680854263 DKRWLXMKKAQWFB-INIZCTEOSA-N 424.498 1.223 30 10 HDEE N#C[C@]12CN(C(=O)NCC[C@H]3CSc4ccccc4O3)C[C@H]1CS(=O)(=O)C2 1683371538 JOTHKUVTOVEFIH-SUNYJGFJSA-N 407.517 1.510 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2)C1 1683479566 IFFLNUDWTUVHCQ-KSZLIROESA-N 408.543 1.914 30 10 HDEE C#C[C@H](NC(=O)N(C)C[C@@H](O)CN1CCOCC1)c1ccc(Br)cc1 1683508350 QVMQJECMBDQVIN-SJORKVTESA-N 410.312 1.458 30 10 HDEE C#CCN(Cc1ccc(F)cc1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1683688999 JQLNCKQUWSDICV-IBGZPJMESA-N 424.542 1.925 30 10 HDEE N#Cc1ccc(CCNC(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cc1 1685940516 COUCDICZSRXTGN-FCHUYYIVSA-N 417.513 1.999 30 10 HDEE COc1cccc(-c2cc(CNC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)on2)c1 1687712016 KSIPNDRDLXEKFR-IFXJQAMLSA-N 416.459 1.430 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1689844755 IQPRRMSOJJDQCR-IEBWSBKVSA-N 409.538 1.741 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(O)CCCCC1 1689961240 PVEHUUINRNKTTB-UHFFFAOYSA-N 406.490 1.957 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1689987970 GRNUQIVQFREQKQ-OAHLLOKOSA-N 405.549 1.872 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1689996967 SIOPZFOITKMSFW-BBWFWOEESA-N 410.540 1.256 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1Cc1cnn2ccccc12 1690003371 LPAJJCFUPMKEHT-QFIPXVFZSA-N 404.474 1.699 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(CC)cc2)n1CC1(O)CCS(=O)(=O)CC1 1690064877 BJWRPHSXCGOROK-UHFFFAOYSA-N 416.547 1.907 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@@H](C)N(C)C)CC1 1690114965 MSPWLILDDWFQEW-QGZVFWFLSA-N 412.538 1.668 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@]2(N(C)C)CCSC2)CC1 1690124782 UJSGWYYZKKTJET-NQIIRXRSSA-N 418.611 1.365 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2CCCOCC(F)F)CC1 1690142220 KHUNCZTVMJOLRN-UHFFFAOYSA-N 420.464 1.911 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N(C)CCN1CCOC(C)(C)C1 1690312014 ZATFFYJVPWBCFK-GOSISDBHSA-N 407.559 1.922 30 10 HDEE C=CCN(c1nnc(Cc2ccc(F)cc2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1690546648 FCUWURBQXADLIX-HXUWFJFHSA-N 420.510 1.712 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CCn1cncn1 1690611263 GNPZWHUTNMXBQS-UHFFFAOYSA-N 421.303 1.966 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CCCN2CCCCC2=O)C1 1690697646 ZNWGXBNKLXAFBX-KRWDZBQOSA-N 411.510 1.919 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN(C)c1ccccc1 1690993018 DFCNPCDOGKAYDC-CVEARBPZSA-N 419.555 1.621 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccco2)n1Cc1ccc(C#N)o1 1692763788 HBGSMVLHBSTFDI-GFCCVEGCSA-N 404.452 1.631 30 10 HDEE COCCN(CCC#N)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1OCC[C@H]1C 1698063051 NNBOZRYRNVINNJ-CRAIPNDOSA-N 401.515 1.931 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1CC1CCN(C(C)=O)CC1 1698115664 NJXOQXCKNXUNAA-HZPDHXFCSA-N 406.531 1.856 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccccc3F)n2CCOCCCO)CCO1 1698494016 ZLVVIKDVEZSHLL-OAHLLOKOSA-N 405.430 1.124 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[C@@H]1COCCO1 1705491061 XAZBUXLZIKWPPF-JKSUJKDBSA-N 422.489 1.455 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1OC 1705525133 ZDIPIXFGRVKWJZ-HNNXBMFYSA-N 405.524 1.947 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCN(CC)C2=O)CC1 1705533112 IMMKQYCQYRDSTC-KRWDZBQOSA-N 413.526 1.369 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc(OC)c(OC)c1)[C@H]1CCS(=O)(=O)C1 1705561854 VBNQJQFYODHGBV-KRWDZBQOSA-N 418.519 1.473 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(SC)CCN(C)CC1 1705596581 INFFKILVYQJJEC-KRWDZBQOSA-N 414.579 1.520 30 10 HDEE Cc1coc(C)c1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1 1707716140 BHAWFYHYMLQEAA-GJZGRUSLSA-N 405.480 1.167 30 10 HDEE CCN(CC(C)C)c1nnc(-c2cccc(C#N)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1709978933 DSHONNKMRSLVAV-HXUWFJFHSA-N 417.535 1.849 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCO1 1710875208 OVGORFLNYRGXIT-QGZVFWFLSA-N 403.508 1.867 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(C)C(=O)[C@H]2C)n1Cc1ccc(C#N)o1 1712646918 IQYJRMGTBBFFMC-KEYYUXOJSA-N 414.466 1.182 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC(F)F 1722303658 QPXXUOXQGQMFLD-CYBMUJFWSA-N 402.405 1.568 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1cn2ccsc2n1 1722370462 LDPNANNPXGGHSX-UHFFFAOYSA-N 416.470 1.756 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1CCCO[C@H]1CCOC1 1722380025 AXOFXWGGZZNUKS-INIZCTEOSA-N 411.462 1.274 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)NC(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1722498982 BYWOQYLTILNBPI-FBMGVBCBSA-N 415.498 1.345 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1722507777 PWSHAINLUXAPBG-UXLLHSPISA-N 400.483 1.659 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)N1CCOCC1 1722508401 LHDFQHAUTGZEGH-AOIWGVFYSA-N 419.526 1.058 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](OC)C(C)(C)C1 1722529484 UFEQNGTVCOFCFK-GJZGRUSLSA-N 415.560 1.342 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@@H](O)C1 1722624979 MONMBOQCALZOBJ-ZBFHGGJFSA-N 403.483 1.806 30 10 HDEE C=CCNC(=O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CCNC(=O)[C@@H]1CC 1722688478 CTNIKOLXGVIZJU-MSOLQXFVSA-N 410.522 1.837 30 10 HDEE CC1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1726590123 HJRQROJWFQGTAR-DLBZAZTESA-N 403.531 1.265 30 10 HDEE CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C(C)C 1728511691 FSHIBZOFTCAUQW-QAPCUYQASA-N 412.535 1.352 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCCN1CCCO[C@@H](C)C1 1740562940 PINHLWILQZAKJV-FYQPLNBISA-N 419.570 1.961 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)cc(OC)c1 1740629870 CFYXNDIJPDPEQD-CQSZACIVSA-N 419.482 1.157 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@](C)(O)c2ccccc2)CC1 1740694560 MZNDOZQJRVXZCI-CVDCTZTESA-N 409.534 1.835 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3C)n2CCS(=O)(=O)CC)CC1 1740696905 KJQZIRCNRZROES-UHFFFAOYSA-N 415.563 1.367 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1740731125 PDUWXTWWQKRMGZ-ZAPUSCAOSA-N 424.592 1.474 30 10 HDEE C=C(C)Cn1c(N2CCC(NS(C)(=O)=O)CC2)nnc1[C@]1(OCC)CCOC1 1740785225 PJOYFGYEALYQIF-SFHVURJKSA-N 413.544 1.024 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NC(=O)C2CC2)CC1 1740792687 LBDNSGJTDWRFSM-KRWDZBQOSA-N 416.526 1.317 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(=O)N(C)[C@@H](C)C2)nnc1C1(c2ccccc2)CCC1 1740966286 XFDQPHGZOCPGEX-KRWDZBQOSA-N 422.533 1.717 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2(C(=O)NCC)CCC2)C1 1740977216 SKHGGXCZAAEPLT-KRWDZBQOSA-N 413.526 1.766 30 10 HDEE Cc1nccn1CCCCn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1742628621 IYPJLLWLVNFTTO-MRXNPFEDSA-N 420.525 1.949 30 10 HDEE CCS(=O)(=O)N(C)CCCn1c([C@H]2CCOC2)nnc1N1CCC(CC#N)CC1 1747426228 BCEXDHLCMUBIFN-KRWDZBQOSA-N 424.571 1.584 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1ccc(CS(C)(=O)=O)cc1 1748662269 SWGXDPLMEIZBKT-HNNXBMFYSA-N 412.519 1.729 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1748672313 RTKJNOIBTBDAKW-CABCVRRESA-N 415.585 1.212 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2csc(C)n2)n1CCCN(CC)S(C)(=O)=O 1748681635 HALRATLURFMOJF-CQSZACIVSA-N 424.596 1.763 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)cc1OC 1748781253 CCTDEFQFNHBXSY-OAHLLOKOSA-N 414.466 1.211 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1ccccc1C1OCCO1 1748840703 HJRCAPWJFGWWPN-UHFFFAOYSA-N 400.442 1.902 30 10 HDEE C#CCN1CCN(c2nnc(Cn3ccc4ccccc43)n2C[C@@H](COC)OC)CC1 1748994165 BNHCPCZSAOUVTQ-FQEVSTJZSA-N 422.533 1.698 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1ccc(NC(N)=O)cc1 1749599561 GXJKZRXYLWCTEK-INIZCTEOSA-N 400.483 1.960 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCC(=O)NC(C)C)C1 1749716857 DHHVDCUCGKDKKC-SFHVURJKSA-N 415.542 1.836 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc(C#N)cc2)n1CCOCCS(C)(=O)=O 1750064206 YOIAOJBMGJSBOS-HNNXBMFYSA-N 416.507 1.474 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1C[C@H]1CC(=O)N(CCOC)C1 1760105225 MOXIDCXULBVHBS-CABCVRRESA-N 416.913 1.946 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2cc(C)ccc2OC)CC1 1760260572 XWLFGRNJFIMOOP-IBGZPJMESA-N 422.533 1.544 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1760281527 NZEQZISGADJAMI-KRWDZBQOSA-N 405.568 1.891 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](OC)C1 1760325853 SNENQVVZVQLSBD-ZWOKBUDYSA-N 403.527 1.997 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1760359042 BCKJKLIJLYQGEK-ZWKOTPCHSA-N 402.543 1.666 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1)C1CC1 1760473602 AHQYHGNCMVNRHT-QGZVFWFLSA-N 402.520 1.876 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2C[C@H](C)O[C@H](C)C2)CC1 1760509832 MMKOJLPEGXEMRR-SOLBZPMBSA-N 402.543 1.741 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCc1nccc(C(F)(F)F)n1 1760692554 BJNPRCYRVDJRBO-NWDGAFQWSA-N 422.415 1.877 30 10 HDEE COc1ccc(-c2nnc(N3CCC(C#N)CC3)n2CCS(C)(=O)=O)cc1OC 1770023023 GFUDLVCZHZJEFW-UHFFFAOYSA-N 419.507 1.747 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H]1CCOC1 1772660065 UJVDRBNBTZSKPL-AWEZNQCLSA-N 411.915 1.819 30 10 HDEE C=CCN1C[C@@H](C(=O)NCc2ccc3c(I)n[nH]c3c2)CC1=O 1850287775 UIQOCIFQUAXFLN-NSHDSACASA-N 424.242 1.818 30 10 HDEE CCOC(=O)N[C@H](Cc1ccccc1)C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851527930 OPZDFWGQCUTGJU-ZWKOTPCHSA-N 410.430 1.974 30 10 HDEE N#CC1CCN(C(=O)CN2C(=O)C(=O)N(Cc3c(F)cccc3Cl)C2=O)CC1 1851653890 CUBLKHIQDIFYEQ-UHFFFAOYSA-N 406.801 1.532 30 10 HDEE Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)o1 1851838918 BCVUIBIVUPIRDD-LBPRGKRZSA-N 421.397 1.950 30 10 HDEE N#Cc1cc(COC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)ccc1F 1852692052 QNZJAGYDCPNGDS-LBPRGKRZSA-N 423.388 1.849 30 10 HDEE Cc1nn2c(C)c(C(=O)NC[C@H](c3ccsc3)N3CCN(C)CC3)cnc2c1C#N 1852894304 JDUQPWWPPDHDJB-LJQANCHMSA-N 423.546 1.998 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(S(=O)(=O)NCC(F)(F)F)C1)c1ncccn1 1853073990 UNIIOWSLSOGZQQ-LBPRGKRZSA-N 407.418 1.104 30 10 HDEE CS(=O)(=O)[C@H]1CCN([C@@H]2CCCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1853696194 LLVCOKREZXCJOX-WMLDXEAASA-N 423.922 1.656 30 10 HDEE N#Cc1cc(C(=O)O[C@@H]2CON(S(=O)(=O)Cc3ccc(Cl)cc3)C2)ccn1 1853752758 AGXPGMFTYRPFPG-INIZCTEOSA-N 407.835 1.909 30 10 HDEE C[C@H]1CN([C@@H]2CCCCN(C(=O)c3ccc(C#N)cc3)C2=O)CCN1S(C)(=O)=O 1853919252 ZTBGPPIRFCEJMR-MAUKXSAKSA-N 418.519 1.045 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccc(C(F)(F)F)cc2)CCN1S(=O)(=O)CC#N 1854721941 CAAUYIIRTHRBQU-LLVKDONJSA-N 403.382 1.161 30 10 HDEE C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2C(=O)Cn1cccn1 1854750944 XBBSTCCKVGMADI-UHFFFAOYSA-N 414.487 1.752 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)[C@@H]3CCCS3)C2=O)C1 1854881604 UEZZVSIQLZPTDC-WMZOPIPTSA-N 400.504 1.820 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3cccc4c3OCCO4)[C@H](C)C2=O)CC1=O 1854941116 OMBHKRJWNAWNDZ-NVXWUHKLSA-N 413.474 1.052 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3cncc(Cl)c3)C2)CC1 1855914827 CCGAOGRPSQCBCY-HNNXBMFYSA-N 424.892 1.813 30 10 HDEE Cc1noc(C)c1CC(=O)N1C[C@H](CN2CC(Oc3cccnc3C#N)C2)CC1=O 1856410465 HYUPFODJECUDTP-HNNXBMFYSA-N 409.446 1.239 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3ccnc(Cl)c3)C2)C1 1856410878 RVVIMDJZIUJKQP-ZDUSSCGKSA-N 411.849 1.754 30 10 HDEE CC(C)(C)OC(=O)N1CC(CC(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)C1 1856550726 WLMDVVRUQGFMRP-SJORKVTESA-N 416.522 1.997 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)Cc3cccnc3Cl)C2)CC1 1857033628 DOPRFJQXLCBWDH-OAHLLOKOSA-N 424.910 1.218 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@H]2CCC(=O)N(C(=O)C[C@@H]3CCCO3)C2)CC1 1857378449 VTAMIWYORAHZRM-MJGOQNOKSA-N 411.506 1.410 30 10 HDEE CN1C(=O)c2ccc(-n3nnc(C#N)c3NC(=O)CCOc3ccccc3)cc2C1=O 1870160899 PCIYTTBJGUJYMY-UHFFFAOYSA-N 416.397 1.772 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)NCC#CCN(C)Cc1ccccc1 1889934053 NUAWFSOQAZIWQI-UHFFFAOYSA-N 401.488 1.208 30 10 HDEE N#Cc1nccnc1O[C@@H]1CCCN(C(=O)Cn2cnc(-c3ccccc3)cc2=O)C1 1891453725 UKZSRCAOPHNKTN-QGZVFWFLSA-N 416.441 1.642 30 10 HDEE Cn1nc(CNC(=O)[C@@H](N)CCCCC#N)c(I)c1Cl 2174383623 IMGPLEYVYIHJTC-QMMMGPOBSA-N 409.659 1.706 30 10 HDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NCCS(=O)(=O)c1ccc(C#N)cc1 2174567519 GRFHJIPUKWGRPT-AREMUKBSSA-N 415.537 1.954 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)NC[C@@H]1C[C@@H]2COC[C@@H]2N1C(=O)OC(C)(C)C 2174780780 YBVWDYVQSIMMBH-WCVJEAGWSA-N 401.529 1.726 30 10 HDEE C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)CCN1C(=O)OC(C)(C)C 2174784096 KGGDVDVFUARCOO-HNNXBMFYSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CNS(=O)(=O)c1cccnc1C#N)C(F)(F)F 2174786528 KRXISDOFNOQVDD-SNVBAGLBSA-N 408.402 1.935 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)Nc1n[nH]c(CCN(C)C(=O)OC(C)(C)C)n1 2185278738 BRSRICIWCWJMON-GFCCVEGCSA-N 400.505 1.752 30 10 HDEE COC[C@@H](C)S(=O)(=O)N(C)[C@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186599271 HHZOXBJVWHCCDP-VXGBXAGGSA-N 404.363 1.800 30 10 HDEE CCN(C[C@H](C)C#N)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197739611 CMNSPDZBBINFRJ-KGLIPLIRSA-N 401.529 1.807 30 10 HDEE CC(C)(C)OC(=O)NCCCn1cnc(C(=O)N[C@@H](C(=O)O)C(C)(C)S)c1 2233450749 CNWOAOSKBRJIBF-LBPRGKRZSA-N 400.501 1.689 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C(=O)N=c2nc(B3OC(C)(C)C(C)(C)O3)[nH]s2)C1 2243675503 XMQNSXFZFKSMFI-UHFFFAOYSA-N 424.332 1.455 30 10 HDEE CC(C)(C)OC(=O)N1CC(N(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@H]2CCOC2)C1 2247805906 RBKYGCMYJFYFAM-OAHLLOKOSA-N 420.315 1.858 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC3(C2)OCCO3)OC1(C)C 2247880546 HHCORZGVLIBMDM-UHFFFAOYSA-N 401.315 1.185 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247936322 ZAWUXOCTFHFRQU-BETUJISGSA-N 418.303 1.561 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC4(C3)CS(=N)(=O)C4)c2)OC1(C)C 2282336095 YMISNNBKLDHILA-UHFFFAOYSA-N 418.371 1.098 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CC[C@@H](N)C3)c2)OC1(C)C 2282345176 YLBFYZVLVIHJRC-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NO[C@@H]2CCOC2)OC1(C)C 2282493274 SFTQTQGOVXNDMY-LLVKDONJSA-N 403.693 1.638 30 10 HDEE C[C@@H]1CCNC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282505991 LUVSCRHBOSIVMS-TZMCWYRMSA-N 400.375 1.465 30 10 HDEE CSC[C@H]1CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282510924 GPSDKLOYDWBOEE-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC(C)(C)[C@@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282828854 VYFQUYJUKDNPGH-DGCLKSJQSA-N 401.359 1.793 30 10 HDEE CCS[C@H]1CCN(S(=O)(=O)c2nn(C)cc2B2OC(C)(C)C(C)(C)O2)C1 2282834350 SNPAGUNKMWRIFE-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE C[C@H]1C[C@@H](CNS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282841822 QALXZMGOLGOWCS-WDEREUQCSA-N 420.793 1.977 30 10 HDEE CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282848593 PDZGNDPUOJXYMR-LLVKDONJSA-N 402.347 1.050 30 10 HDEE CCN(CCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C1CC1 2282848739 RDTPVMICDLBSRS-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CCN([C@H]1CCC[C@H]1O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282872318 UZONITYGCJANLA-UONOGXRCSA-N 401.359 1.971 30 10 HDEE C=C(CS(=O)(=O)N(CCC)[C@@H]1CCS(=O)(=O)C1)B1OC(C)(C)C(C)(C)O1 2282876678 HHQKSBQXIWMAGB-CQSZACIVSA-N 407.363 1.403 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284398646 AAFZSJQNZXWMOI-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)N1CC(F)(F)C[C@H]1C#N 2286067914 NWOIONNNFRYACG-RYUDHWBXSA-N 407.439 1.170 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cc(C)ccc1O 2330742679 SXGYIHGSASGMFM-UHFFFAOYSA-N 404.496 1.429 30 10 HDEE CC[C@H](C#N)N1CCN(C(=O)[C@@H](CP(C)(C)=O)NC(=O)OC(C)(C)C)CC1 2360616575 VPYBMOIZOSDWNG-HUUCEWRRSA-N 400.460 1.949 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CCC2(C1)CC1(C2)OCCO1 2362345999 MALGNQGTHKEVTE-UHFFFAOYSA-N 403.288 1.089 30 10 HDEE C[C@@H](CCS(C)(=O)=O)N(C)C(=O)c1cnsc1B1OC(C)(C)C(C)(C)O1 2362571516 NWGRUTLQKOQQEI-NSHDSACASA-N 402.347 1.338 30 10 HDEE C#CCCCOC(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2363624134 RQIZUDXIDIUZCV-HHHXNRCGSA-N 402.517 1.949 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(OC)CCN(C(=O)OC(C)(C)C)C1 2365201610 AVLBCHUHDICABJ-HNAYVOBHSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C 2365203783 VFUDIQRWNXWIPH-CVEARBPZSA-N 402.557 1.817 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365207200 MBQZTHWUURPVBU-YZVOILCLSA-N 402.557 1.538 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2367793462 VWJUAZGHUZMIPS-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C[C@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CC1 2367826611 ABDMMJQDAXXWLD-HOTGVXAUSA-N 400.541 1.292 30 10 HDEE CC(C)(C)OC(=O)N(C[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1)C(C)(C)C 2367828839 USSUSCSJAZDWTR-HUUCEWRRSA-N 402.557 1.681 30 10 HDEE Cn1ncc(I)c1NS(=O)(=O)c1ccc(C#N)cc1N 2381910789 RKLHLXMUZNXGRQ-UHFFFAOYSA-N 403.205 1.279 30 10 HDEE COCC[n+]1cc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)on1 83246540 VHVOTSGZTOHKIQ-UHFFFAOYSA-O 402.378 1.933 30 10 HDEE N#C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(F)cc1F 111220429 SMEYYQODLFHSNJ-IRXDYDNUSA-N 401.348 1.905 30 10 HDEE C=C1C(=O)O[C@@H]2/C=C(\CO)CCC=C(CO)[C@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 252670765 LQQVURUBFJKELJ-FLXXATQYSA-N 422.474 1.605 30 10 HDEE C=C[C@]1(C)CC(=O)[C@@]2(O)[C@]3(C)[C@H](O)CCC(C)(C)[C@H]3[C@@H](OC(C)=O)[C@@H](O)[C@@]2(C)O1 256351255 CLOQVZCSBYBUPB-WDCBCXKUSA-N 410.507 1.520 30 10 HDEE biogenic,in-vitro N#CCNC(=O)C(=O)Nc1ccc(Br)c(I)c1 302389039 MWYJXVXAPZKZPZ-UHFFFAOYSA-N 407.993 1.632 30 10 HDEE C=CC[C@@H](CO)NC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 410069682 GGUGCLZPMWIBFC-LAUBAEHRSA-N 407.470 1.553 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC#Cc1ccc(C(F)(F)F)cc1 426052239 RZKYDSCAJDTCED-QWHCGFSZSA-N 413.396 1.812 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)cc1 438908762 WCFGWBKXQJXWEY-OAHLLOKOSA-N 413.415 1.168 30 10 HDEE COCc1cccc(C=c2sc(=C(C#N)C(=O)c3ccccc3OC)n(C)c2=O)c1 440392312 QSNKDWPUZNHPDG-UHFFFAOYSA-N 420.490 1.988 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC1=O 461744673 GBKBVYZBKSCEGB-FUHWJXTLSA-N 407.478 1.410 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)N2CCn3c(nnc3C(F)(F)F)C2)cn1 462110025 SARBSDQJHIMSII-UHFFFAOYSA-N 403.328 1.797 30 10 HDEE CC(C)OC(=O)[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 466277273 VETVTPSVYLYBCN-OAHLLOKOSA-N 422.507 1.162 30 10 HDEE COC(=O)c1cnc(N(C)C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)s1 469450981 WPXFILUBQAIUHB-UHFFFAOYSA-N 408.461 1.398 30 10 HDEE COC(=O)c1cc(F)c(C)c(S(=O)(=O)N2CCN(c3ccc(C#N)cn3)CC2)c1 472668813 AXYANJHSBVADHI-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE COCCNC(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1Cl 505022486 BBMLZZBLRSQRAF-UHFFFAOYSA-N 406.870 1.807 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCCc1ccccc1 508959392 FKKOTRCDJOQDEI-SFHVURJKSA-N 419.551 1.866 30 10 HDEE CC(=O)NCCN([C@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccc(F)c(C#N)c1 512442140 VPHITKRCJADJDU-GFCCVEGCSA-N 413.471 1.554 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)CC2 519790214 GBVIUJIYZXDIRM-MRXNPFEDSA-N 401.492 1.288 30 10 HDEE CCc1c(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cnc2c1c(=O)n(C)c(=O)n2C 533611125 JXYWUHJYWCBHQE-ZDUSSCGKSA-N 421.461 1.003 30 10 HDEE N#C[C@H](NC(=O)c1ccc(S(N)(=O)=O)cn1)c1ccc(OC(F)(F)F)cc1 540627659 FSMKAFQTGGINOJ-ZDUSSCGKSA-N 400.338 1.622 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(Cc2cn(Cc3cccnc3)nn2)CC1 544352200 YCJWIXCYYRACTO-UHFFFAOYSA-N 423.502 1.100 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccccc3CN3C(=O)CNC3=O)CC2)n1 546211545 QLLRXLZYBBXRIR-UHFFFAOYSA-N 419.445 1.359 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)NC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 554251418 OMIZZEXPYGHZPK-SFHVURJKSA-N 407.492 1.020 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(Cc2noc(C(C)(C)C)n2)CC1 569509790 AQPWULIRQWKLBZ-OAHLLOKOSA-N 417.514 1.555 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 603551435 BUNVVWZPLVKZEZ-UHFFFAOYSA-N 408.462 1.683 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccnc(OC3CCCCC3)c2)CC1 604188155 FWNCQMLVTWJJLM-UHFFFAOYSA-N 415.538 1.923 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccn(-c3cccc(C(F)(F)F)c3)n2)CC1 606347076 MIIKQBAGVRHUMO-UHFFFAOYSA-N 421.423 1.951 30 10 HDEE CC1(C#N)CCN(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1 611557342 ISKULWNIBZZTIH-UHFFFAOYSA-N 406.512 1.321 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccc(F)cc1F 727415665 XSKLMFXTLLTPHO-UHFFFAOYSA-N 413.405 1.575 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Br)cn2)c(=O)n1C[C@@H]1CCCO1 733788541 SDKHGNNGIJJMQA-AWEZNQCLSA-N 417.288 1.273 30 10 HDEE COc1ccc(NC(=O)COC(=O)c2ccc(C#N)nc2)cc1S(=O)(=O)N(C)C 734599707 NITGFMAINIKIJQ-UHFFFAOYSA-N 418.431 1.008 30 10 HDEE Cc1ccc(N(CCC#N)C(=O)[C@H](C)OC(=O)CN2C(=O)NC(=O)C2(C)C)cc1 745045819 PYXSDYQDGGBCOY-AWEZNQCLSA-N 400.435 1.504 30 10 HDEE CS(=O)(=O)Nc1ccc(/C=C/C(=O)OCC(=O)NCc2cccc(C#N)c2)cc1 746530786 JZEGAUBQABLXSV-JXMROGBWSA-N 413.455 1.803 30 10 HDEE C[C@@H](Cn1cncn1)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 749213549 WSGUDTOMCLWINB-ACIHENLCSA-N 405.484 1.301 30 10 HDEE C[C@]1(c2cccc(C#N)c2)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 750961471 JSCXKMHVILRUKN-JOCHJYFZSA-N 401.426 1.962 30 10 HDEE C#CCN(C(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)[C@H]1CCS(=O)(=O)C1 758438193 LJXOJZFBHWQNQH-OLZOCXBDSA-N 415.437 1.558 30 10 HDEE C#CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 763279323 AZYPGXWSYUNSMT-UHFFFAOYSA-N 404.469 1.180 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)[C@@H]1CCS(=O)(=O)C1 774024581 SPTCTSBBWAKOPS-YQQAZPJKSA-N 406.508 1.349 30 10 HDEE CC#CC[C@@H](NS(=O)(=O)c1cc(/C=C/C(=O)OC)cc(OC)c1OC)C(=O)O 776588177 NMTLABHNNZOLDZ-MMQHEFTJSA-N 411.432 1.035 30 10 HDEE C#CCN(C(=O)[C@@]1(F)CCN(C(=O)OCc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 776899461 GBTBBUBDFCPPRV-YLJYHZDGSA-N 422.478 1.386 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)CN1C(=O)c2ccccc2C1=O 780180553 SQSWEUSRYBAJEI-NRFANRHFSA-N 414.414 1.657 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)cc1 780854121 BABLRCWNLJVEEJ-GOSISDBHSA-N 421.425 1.403 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)C(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1 787560522 OHFMRLOFFNFZBC-UHFFFAOYSA-N 402.410 1.213 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)CCC(=O)N3CCOc4ccccc43)CC2)c1C#N 788261932 MCVXBSLTDZOAOP-UHFFFAOYSA-N 422.489 1.455 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)n1 789324624 QITNMIITMVVPMF-HKUYNNGSSA-N 412.490 1.309 30 10 HDEE CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H](C=NNc2ccc(C(=O)O)cn2)C1 794525635 DOHCBGQCLDEZTF-CYBMUJFWSA-N 405.455 1.941 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc([N+](=O)[O-])cc(Cl)c1F 795805574 JUKIRLNJHGHCRS-VIFPVBQESA-N 410.832 1.198 30 10 HDEE COC(=O)C(C)(C)CS(=O)(=O)NC(=O)CCCOc1ccc(C#N)cc1OC 811142303 BZFLVQZYGPMEKV-UHFFFAOYSA-N 412.464 1.371 30 10 HDEE CCOCCn1c(=C(C#N)C#N)sc(=Cc2ccc(C#N)cc2C(F)(F)F)c1=O 811726728 GZRJRAXAWCQATI-UHFFFAOYSA-N 418.400 1.863 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@@H](C#N)C1 812185739 CEXSAVMONAPMMI-HOTGVXAUSA-N 418.498 1.891 30 10 HDEE C#CCONC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 812781741 DIMQXNXVSCCGKR-UHFFFAOYSA-N 402.428 1.943 30 10 HDEE Cc1ccc(C=NNc2nnc(SCC(=O)Nc3nnc(C)s3)n2N)cc1 1083961830 LTFNHFWGKVNVPZ-UHFFFAOYSA-N 403.497 1.637 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)Nc3ccc(C(=O)N4CCOCC4)cn3)CC2=O)cc1 1132863569 FDWUTSDJQWLYMV-QGZVFWFLSA-N 419.441 1.417 30 10 HDEE N#CC1(C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC2(CC2)C1 1135523693 MYCIDJWNPZIPHM-UHFFFAOYSA-N 404.448 1.512 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)Cc2sc(CS(C)(=O)=O)nc2C)c1 1136327899 SWLSXFAUSPKBNA-UHFFFAOYSA-N 405.501 1.275 30 10 HDEE CCN1CCC[C@H]1CN(CCN(C)C)C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136541492 CZWBMCRKQKEYQI-INIZCTEOSA-N 424.542 1.611 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)CC1 1152967486 IVAWVBXVKBXANX-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE COCCCNC(=O)[C@H](C)N1CCN(c2ncc(C#N)cc2Br)CC1 1162442110 BWMZOPNFLNBCGK-ZDUSSCGKSA-N 410.316 1.379 30 10 HDEE C[C@H](CC(=O)NCc1cccc2c1CCOC2)/N=C1/NS(=O)(=O)c2ccccc21 1168765289 MFBHWWKHNGZCIL-CQSZACIVSA-N 413.499 1.893 30 10 HDEE C#C[C@H](NC(=O)N1CCC[C@H](S(=O)(=O)NC)C1)c1ccc(Br)cc1 1252458800 MNFKKGKURSCFSQ-GJZGRUSLSA-N 414.325 1.847 30 10 HDEE C#C[C@H](NC(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1)C1CCOCC1 1253348263 NWERTWYIWNFLHR-IBGZPJMESA-N 408.520 1.929 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1286397238 YJUWNVFHQRXOEY-SJORKVTESA-N 406.552 1.839 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCS(=O)(=O)C1 1286424016 QRKVYQYEROMSDT-SFHVURJKSA-N 407.499 1.714 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCCOC 1286424876 ONIHNTSNAQYUNE-UHFFFAOYSA-N 404.478 1.810 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CCOC[C@H]1C 1286469669 LCBJMUKRPRGOAV-YRXWBPOGSA-N 406.527 1.761 30 10 HDEE C=C1CCN(c2nnc(-c3cccnc3)n2CC2(O)CCS(=O)(=O)CC2)CC1 1286644348 SLEHGHNQFXGMOK-UHFFFAOYSA-N 403.508 1.436 30 10 HDEE C=CCCCn1c(CCCc2ccccc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1286703296 INQFDWNPEXDBAO-LJQANCHMSA-N 422.533 1.567 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)NCCC)CC1 1286788167 QXZRCORZJOZIIH-QGZVFWFLSA-N 418.542 1.217 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1CCN(C(C)C)CC1 1286790585 UUMBFAYOHUIDCF-UHFFFAOYSA-N 403.556 1.466 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC2(CCOCC2)C1 1286820665 OVHUPUGHSFXGPE-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CNS(=O)(=O)c1ccc(Cl)cc1 1292469146 TVXOBYOTWUXSNA-UHFFFAOYSA-N 405.863 1.620 30 10 HDEE CCN1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2CCO[C@@H](C#N)C2)CC1 1296194892 HSMYEGXOCBOTEF-SFHVURJKSA-N 412.542 1.420 30 10 HDEE C=C(CCC(=O)OC)C(=O)NCC(=O)Nc1ccc(I)cc1 1297788022 CIMHAMNZNQUDRN-UHFFFAOYSA-N 416.215 1.855 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1299332913 FOJWXHXVXSYBHJ-MRXNPFEDSA-N 417.491 1.251 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300492680 ONQOUMHNLLORGG-OALUTQOASA-N 419.595 1.903 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC[C@H](C)C1 1300509616 QKNUHZPHBQMMFU-BZSNNMDCSA-N 420.583 1.082 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1C[C@H]1CC(=O)N(CCOC)C1 1300575568 ZEWVQVUEIHJAIG-IBGZPJMESA-N 420.517 1.606 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@@H]1C 1301219258 BXLSOXCELYYRNM-AWEZNQCLSA-N 421.461 1.666 30 10 HDEE C=CCN(c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCCC)C1CC1 1301320426 DERKOBKFZVOBHD-UHFFFAOYSA-N 407.482 1.602 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@H]2COCCO2)C1 1301543235 JMHIUBUNGVJFIT-HLIPFELVSA-N 408.499 1.127 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC1 1301577975 WCMHQNBNTMGERZ-UHFFFAOYSA-N 414.495 1.122 30 10 HDEE CSCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1302774976 QQXJQASWOLJQDT-KRWDZBQOSA-N 417.583 1.720 30 10 HDEE COC(=O)[C@@H](CCC1OCCO1)NC(=O)c1cnn(CCC#N)c1-c1ccccc1 1302820135 XDKBNLUJAYXRRN-QGZVFWFLSA-N 412.446 1.888 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(Cn4cc(Cl)cn4)s3)C2)c(=O)nc1O 1305590374 FOUJGKUCSZABOC-UHFFFAOYSA-N 416.850 1.477 30 10 HDEE CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)[C@@H]1CCC[C@@H]1C#N 1307994877 YLVWJXUKRLODTO-RTBURBONSA-N 404.536 1.285 30 10 HDEE COCC1(CNC(=O)N2CCN(CCC#N)CC2)CCN(C(=O)OC(C)(C)C)CC1 1312676547 DIYFUNPVSSQRNZ-UHFFFAOYSA-N 423.558 1.891 30 10 HDEE C#CCN(C(=O)N[C@@H](C)[C@@H]1CN(C)CCN1C)C1CCN(C(=O)OC(C)(C)C)CC1 1313424670 GXBOOSRFCARGQO-HKUYNNGSSA-N 421.586 1.665 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2C[C@H](F)C2)CCO1 1315011546 BVCIAGMIYCEIFG-WBAXXEDZSA-N 412.469 1.906 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC(C(N)=O)CC3)n2CC[C@H]2CCOC2)cc1 1316533916 IKGNPXSVCXGZOS-KRWDZBQOSA-N 424.505 1.857 30 10 HDEE C#CCN(c1nnc(-c2ccc(Br)cc2)n1C)[C@@H]1CCS(=O)(=O)C1 1325781538 RXKOQYQLERECEC-CQSZACIVSA-N 409.309 1.871 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCOC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1358961426 YYBNTAXGNKCCHJ-HNNXBMFYSA-N 418.523 1.177 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1359000102 LQUUNDYPYZHMRY-HOTGVXAUSA-N 405.524 1.815 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN(CC)C2CC2)CC1 1359038488 YDYJPQPSOZBXMW-UHFFFAOYSA-N 410.570 1.379 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1359132385 WMQJZDHMNQBMGG-CHWSQXEVSA-N 403.405 1.589 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359187736 VPOPJZFNNJNPAK-HZPDHXFCSA-N 404.515 1.173 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1359202155 KUFOEPMSFKQZGD-KRWDZBQOSA-N 415.542 1.970 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1359238498 MXEFSOPXQSUWLO-GOEBONIOSA-N 400.458 1.335 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1359331761 HLUMSCZXLPQIIQ-KRWDZBQOSA-N 423.583 1.305 30 10 HDEE CC(C)(Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@](C)(C#N)C1)N1CCOCC1 1360784567 HHMWVCLSUYTXJT-KKSFZXQISA-N 415.542 1.470 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1449427511 SIRGRSPXXRFWEB-HUUCEWRRSA-N 408.476 1.067 30 10 HDEE C[C@H](CC(=O)Nc1cccc2c1CCNC2=O)/N=C1/NS(=O)(=O)c2ccccc21 1451421600 CMSQYILUKBQESR-GFCCVEGCSA-N 412.471 1.428 30 10 HDEE CC[C@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N(C)C[C@@H](O)c1cccc(C#N)c1 1452948077 PYXUGRPHYCABHV-JKSUJKDBSA-N 400.439 1.891 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCC([C@H]2CCCCO2)CC1 1453533346 FAXJTNXXHNPYCD-QGZVFWFLSA-N 405.520 1.923 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)N=S(C)(C)=O)cc1 1455955004 UQGYYFGTKGSLKU-HNNXBMFYSA-N 401.510 1.512 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@@H](O)c2ccc(C#N)cc2)C1 1460559744 KLMHIXJNFBTJLP-QGZVFWFLSA-N 400.479 1.403 30 10 HDEE C#C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)c1ccc(Br)cc1 1460786174 OOWBULHXCKVGJY-KBXCAEBGSA-N 404.264 1.960 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1461931409 JYPDTIXWWMTZLF-DJJJIMSYSA-N 409.845 1.791 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 1464543293 OUIXFXBWPYOSDL-INIZCTEOSA-N 415.494 1.136 30 10 HDEE CNC(=O)CCOc1ccc(NC(=O)N2CCN(c3ccc(C#N)nc3)CC2)cc1 1465600406 BYBSBSCTQKRFQJ-UHFFFAOYSA-N 408.462 1.822 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ncc(I)cn2)CC1 1470934889 MMADRCICIRUYNH-OLZOCXBDSA-N 414.247 1.321 30 10 HDEE N#Cc1cncc(CNC(=O)[C@@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)c1 1471967652 NKOAULUGKSLXPV-SFHVURJKSA-N 404.430 1.119 30 10 HDEE CCOC(=O)C1([C@@H](C)NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 1472167736 BTTNTXOCPQSSAY-OAHLLOKOSA-N 422.503 1.338 30 10 HDEE COC(=O)[C@H]1Cc2ccc(O)cc2CN1C(=O)C1CCN(c2oc(C)nc2C#N)CC1 1472389401 YTWVZCFNYYBLFU-LJQANCHMSA-N 424.457 1.903 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCCn2ccc(C(F)(F)F)n2)[C@H](C#N)C1 1478402546 BQOPGTVXFZPCEZ-VXGBXAGGSA-N 416.404 1.960 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1CCCO[C@H]1CCOC1 1492911318 FVEDFVZWLQJKNI-RDJZCZTQSA-N 412.498 1.159 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@@]1(C)COCCO1 1499184478 KRQNGMIFRRCVTM-QFIPXVFZSA-N 410.522 1.840 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)cc1F 1504278655 GXHWOAICHHCJAH-OAHLLOKOSA-N 414.441 1.325 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC1C[C@H](C)O[C@@H](C)C1 1504887810 DUQMNDUAONMIES-ZOBUZTSGSA-N 404.515 1.799 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1507666688 FBMJWIUVFMTRLL-RBUKOAKNSA-N 412.538 1.049 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](CC)c3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1507718697 GRUIJJRLVLOAAQ-REWPJTCUSA-N 409.534 1.727 30 10 HDEE C=C1CCN(c2nnc(Cc3csc(C)n3)n2CC(=O)N2CCOCC2)CC1 1507889628 QFSOCNPIUILYHH-UHFFFAOYSA-N 402.524 1.649 30 10 HDEE C=CC1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)N(C)CC)CC1 1507907533 YZGVWNFAMHBMGF-UHFFFAOYSA-N 400.483 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(Cc2ccccc2)C[C@H]1C 1508091110 LQJHQHZPSNJQPI-QUCCMNQESA-N 424.549 1.795 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)S[C@@H](C)C1 1508093060 SQJZTJWBKLZYSC-HOTGVXAUSA-N 403.556 1.772 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCC2(O)CCOCC2)C1 1508110226 YYJKQXKOKQYJPR-QGZVFWFLSA-N 419.526 1.227 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-c2nc[nH]n2)cc1 1508417625 IJZMJFMNXRULFU-BBRMVZONSA-N 405.466 1.658 30 10 HDEE CCCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1514538620 ALCWIXCONANNBN-SJORKVTESA-N 401.515 1.222 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1515120919 CAFIDAZAECHXFO-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCOC(F)F)CCO1 1517532286 AQRUGQLQGVXWQH-HNNXBMFYSA-N 420.420 1.397 30 10 HDEE CS(=O)(=O)N1CC[C@H](CNC(=O)COc2cccc(Br)c2C#N)C1 1519411462 DNXHSFMWDORZFX-LLVKDONJSA-N 416.297 1.097 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cccc(OCC(N)=O)c2)CC1 1521114782 KYOYHHRTNOGTPF-SFHVURJKSA-N 424.505 1.824 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)n1 1525225996 TYGKSRRZVIULCE-OAHLLOKOSA-N 416.428 1.823 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)s1 1532303918 BCJTWQDMQCPKOF-HNNXBMFYSA-N 401.554 1.866 30 10 HDEE C=C(C)C[C@H](NC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCC 1533747289 XZFXEILUSBOVMV-HNNXBMFYSA-N 413.452 1.229 30 10 HDEE N#C[C@@]12CN(C(=O)[C@H]3CCCN(C(=O)c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1538540615 ZVDIQOCBWUQTMY-FTRWYGJKSA-N 419.478 1.075 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1539089827 SVPMYGQJKZSYEZ-QFIPXVFZSA-N 423.521 1.640 30 10 HDEE C#CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@]1(OC(C)C)CCOC1 1539139795 IDTGJSXVNPZIPC-NRFANRHFSA-N 419.526 1.027 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1csc([C@@H](C)OC)n1 1539318783 XWOCBTKZSUTXHS-ZBFHGGJFSA-N 412.519 1.904 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539512916 JCLVOUUFEPXHKU-UHFFFAOYSA-N 421.530 1.997 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCCCC2)C(=O)C1 1539798737 JWDUKYDPGFVGJJ-OAHLLOKOSA-N 406.918 1.963 30 10 HDEE C=CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cnccc2OC)CC1 1539874747 OVNWWRSIGQRGBY-CQSZACIVSA-N 420.539 1.743 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](C(=O)OCC)C2)s1 1540310695 ACTXROXVVRBVKS-ZDUSSCGKSA-N 400.522 1.557 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC=CCC1 1540901787 PDVHUFAYAAHWKO-UHFFFAOYSA-N 405.480 1.373 30 10 HDEE CC1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[C@](C)(C#N)C2)CC1 1541990378 FRLWOZRUCCWDEW-DNVCBOLYSA-N 422.555 1.541 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC[C@H](N3CCNC3=O)C2)CC1 1542615134 ICDZLNLUIGHUJN-KRWDZBQOSA-N 404.511 1.653 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc1 1543120906 DFBQGTAXQWUFOG-UHFFFAOYSA-N 419.890 1.993 30 10 HDEE C#CCN1CCCN(C(=O)c2cc(S(=O)(=O)NCCOC)ccc2Cl)CC1 1544078677 KJAQLRAXLYNUQK-UHFFFAOYSA-N 413.927 1.046 30 10 HDEE COC(=O)Nc1ccc(CNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)cc1 1544093493 VSTIGRNTJVOPJB-UHFFFAOYSA-N 416.459 1.905 30 10 HDEE N#Cc1cn(CCC(=O)NCc2nn(-c3ccccc3)c3c2CCC3)c(=O)nc1O 1544783420 BVKTYUYVDOPFQX-UHFFFAOYSA-N 404.430 1.201 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1NC(=O)CC1(C)C 1545832556 TWPRBGULCALDBN-ZFWWWQNUSA-N 403.531 1.707 30 10 HDEE CCCC1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1546933037 ABHDJWGOVUOXNY-HOTGVXAUSA-N 424.571 1.787 30 10 HDEE COC[C@H](F)Cn1c(CCc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1555278909 GCAWWZAOORVOBS-AEFFLSMTSA-N 403.458 1.785 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCc1ccco1 1555996132 PGDJAJJCLXIERZ-MRXNPFEDSA-N 411.466 1.269 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 1558110578 KVBDAITWGPKYIO-ZDUSSCGKSA-N 402.900 1.418 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CCC(CO)(CO)CC2)nnc1-c1ccco1 1558250789 MTOGKAAWZHBNSQ-UHFFFAOYSA-N 406.508 1.800 30 10 HDEE N#Cc1cccc([C@@H](O)CN2CCN(S(=O)(=O)NCc3ccccc3)CC2)c1 1559975063 DTGQNFDVGHJEPI-FQEVSTJZSA-N 400.504 1.244 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN[C@]3(CO)CC[C@H](C)c4ccccc43)CC2)o1 1560226660 WUBTUESZVLUAJF-HJPURHCSSA-N 423.517 1.878 30 10 HDEE COCCc1ccc(OC[C@@H](O)CNC(=O)N[C@@H]2Cc3ccc(C#N)cc3C2)cc1 1565247707 UOJICUJODZGTPW-RTWAWAEBSA-N 409.486 1.953 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O 1566544174 QKUPKGWBPOXKMD-STQMWFEESA-N 405.417 1.963 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3cc(C#N)cc(N(C)C)c3)C2=O)cc1 1568691203 ZGMSQFWDGGDHMC-OAQYLSRUSA-N 407.430 1.745 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C1(NC(=O)c2c(C)nn(C)c2C)CCCC1 1583821294 YFHPYSSBBCQAHQ-UHFFFAOYSA-N 416.522 1.883 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CCC(C(N)=O)CC2)C1 1585460987 HCWLIYQQHSNTBL-UHFFFAOYSA-N 405.296 1.917 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)[C@@H](C)OCCC=C)CC1 1585675256 MMLPVSHUBDESKN-RTJUMIHMSA-N 400.519 1.844 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1CCN(c2ccncc2)CC1 1587625831 CLXQHRDKPMGIQT-VQIMIIECSA-N 407.522 1.999 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NC(C)C)[C@@H]1CCS(=O)(=O)C1 1588029283 FNVSCBDPIWWKFT-HZPDHXFCSA-N 409.556 1.333 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)OCCOC)n1Cc1nnc2n1CCCCC2 1588271251 GPCOFBDTVADNMU-INIZCTEOSA-N 401.515 1.828 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1(O)CCOCC1 1588595697 YPSPXSKDZCOUOZ-UHFFFAOYSA-N 415.450 1.481 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCO[C@H]1C 1589615018 ITPLJOSCTCVTCO-HRAATJIYSA-N 424.509 1.863 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN([C@H](C(N)=O)c2ccccc2)CC1 1593753128 XDNPTWBUWYDXPF-FQEVSTJZSA-N 412.538 1.782 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCC(Cn2cncn2)CC1 1594802898 KGNRWAQQZWUJNU-UHFFFAOYSA-N 411.514 1.779 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1conc1COC 1595218467 LBLXWKBGEXLMGL-AWEZNQCLSA-N 407.496 1.541 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnn(C)c2C)C1 1595754216 MHWCQZJPGCYMNX-WDSOQIARSA-N 416.526 1.874 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnn(C)c1C 1595885022 YUATWWNWBNBOCM-HNNXBMFYSA-N 424.596 1.778 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)C2)C1 1596050163 GLMZIEVMPDMTRM-SFHVURJKSA-N 421.505 1.354 30 10 HDEE C=CC1(CC(=O)Nc2cnn(C[C@@H](O)CN(C)OC)c2)CN(C(=O)OC(C)(C)C)C1 1596315226 OBCQOUDNUMLULZ-INIZCTEOSA-N 423.514 1.489 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2C[C@@H](NC(=O)CNc3ccc(C#N)cc3)CC2=O)C1 1603254315 MBKXNPJYVNFUTO-INIZCTEOSA-N 413.478 1.307 30 10 HDEE CCOC(=O)N(C)C1CCN(C(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CC1 1611027555 IPJNMEZPOBIYLZ-UHFFFAOYSA-N 411.455 1.816 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1(O)CC1 1611641647 QLAQFHJWPHHFNO-AWEZNQCLSA-N 419.507 1.123 30 10 HDEE CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1614470419 KLQADZZZDQPFIN-MRXNPFEDSA-N 410.544 1.541 30 10 HDEE CCNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1615907148 AYYDDWUTQHNSAL-QGZVFWFLSA-N 423.521 1.681 30 10 HDEE CC[S@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)NC(C)(C)C 1617420031 MSRYSYOAVZPVMW-LJAQVGFWSA-N 416.551 1.936 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](C)[C@H]3CN(C)CCN3C)ccc2c1=O 1618099236 PEIKXHBSZLHQLB-SUMWQHHRSA-N 401.536 1.235 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)Cc1ccc(OCC#N)cc1)CCS2(=O)=O 1618581720 RUXIUUBAFDYRSE-LFDOHDQPSA-N 420.487 1.147 30 10 HDEE CO[C@H](C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)C[C@H](C)C#N 1618938896 GLVZVNVRXMWFBN-ZIAGYGMSSA-N 405.528 1.869 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCO2)n1CC1(O)CCN(C(C)C)CC1 1619913348 AIANCCFOFDMQTE-GOSISDBHSA-N 420.558 1.731 30 10 HDEE CNC(=O)CN1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)CC1 1620596575 WABKGLBBXHTCIZ-KRWDZBQOSA-N 401.511 1.084 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)CC1 1621696098 JXLPOQHPWZUBQN-UHFFFAOYSA-N 418.288 1.017 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCOC[C@@H]1C#N 1627867843 TUQSTHGGKNNSHP-ZWKOTPCHSA-N 402.495 1.763 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1B1OC(C)(C)C(C)(C)O1 1631901014 HJPTUYKKRNGMOP-OAHLLOKOSA-N 408.329 1.187 30 10 HDEE CN1C[C@@H](C(=O)N2CC(Oc3ccc(C#N)cc3)C2)N(C(=O)OC(C)(C)C)CC1=O 1633656493 CUGVCKZYWGDXEM-KRWDZBQOSA-N 414.462 1.226 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCO[C@@H](c4ncon4)C3)C2)C1 1633922215 ITHMOKRRLIABEA-LNWMTBOKSA-N 417.466 1.756 30 10 HDEE COc1ccc(CNC(=O)/C=C\C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)cc1 1636270311 CROGEODPSQYQGS-XITLMJRVSA-N 420.473 1.267 30 10 HDEE C#C[C@@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1636622626 LEIUUBNBVSWZJI-LBPRGKRZSA-N 415.309 1.348 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)CCNS(=O)(=O)c1ccc(NC(C)=O)cc1 1636626507 CVJMEOJORGWRNF-GOSISDBHSA-N 421.519 1.840 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N[C@@]3(C#N)CC3(C)C)CS(=O)(=O)[C@H]2C1 1636871476 NDZRMBWMSQMAKX-VYGYDYRJSA-N 411.524 1.465 30 10 HDEE CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@H]1CCCN(CC#N)C1 1638390175 QHRALZSBZLVJQV-AEFFLSMTSA-N 423.558 1.394 30 10 HDEE CN1CC2(CN(C(=O)C3CC4(C3)CN(C(=O)OC(C)(C)C)C[C@H]4C#N)C2)OC1=O 1639379589 FBSXKWXLULDXRR-SHYRYGCCSA-N 404.467 1.436 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)Cc2csnc2OC)s1 1639451413 LGPGCVHSYOQGSJ-UHFFFAOYSA-N 401.535 1.879 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](C)N(CCO)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1640852791 BSLAIHOCNXGYIO-CALCHBBNSA-N 402.344 1.821 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)CC(C)(C)CO)nnc12 1641608450 WEKRUYNBXBTCJJ-UHFFFAOYSA-N 415.519 1.799 30 10 HDEE CC1CCC(NC(=O)CN2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)CC1 1642179984 GLISPOZFUGSOHE-DQVLVPHSSA-N 414.550 1.610 30 10 HDEE C#CC[C@@H]1CCN(C(=O)CNS(=O)(=O)c2ccc(NC(C)C)c([N+](=O)[O-])c2)C1 1642246057 WNANURMGPSLVSG-CQSZACIVSA-N 408.480 1.565 30 10 HDEE C=CC[C@]1(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)NC)CCCN1C(=O)OC(C)(C)C 1643827675 VHTLWGOBHLKOSP-MGPUTAFESA-N 405.499 1.529 30 10 HDEE C#CCN(C(=O)Cc1ccc(C(N)=O)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1645457766 BVHFIMUUTCIGSB-UHFFFAOYSA-N 400.479 1.584 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@H]2CC[C@H](c3nccc(O)n3)CC2)cc1 1647558861 HHOAFGBUODNSNN-QAQDUYKDSA-N 414.487 1.811 30 10 HDEE CC1(Nc2nc(CC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)cs2)CCCC1 1653763553 XTCOMBXVYUPARL-UHFFFAOYSA-N 414.491 1.648 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(C[C@H](O)CC3(C#N)CC3)C2)nn1 1654645739 HOIVSDXMWZXPFP-IAGOWNOFSA-N 404.515 1.994 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC(Cc3nc(-c4cc(C)ccn4)no3)CC2)CC1 1655474880 PZDCPGOQZSDQCV-UHFFFAOYSA-N 422.533 1.472 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@@]3(CCOC3=O)C2)CC1 1660693626 AZOZJJVKEWYNAZ-GHTZIAJQSA-N 400.454 1.174 30 10 HDEE C=C(C)COCCNS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1660849579 UYBYAOPZIIIRRM-MSOLQXFVSA-N 412.508 1.535 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1OC)C(=O)OCC 1665222013 ZYJNBBRPEJCLRT-ZDUSSCGKSA-N 405.494 1.275 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)c1 1665292616 UYINSJNSCYCKPR-OAHLLOKOSA-N 416.446 1.811 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc2c(cc1OC)CCCNC2=O)C(=O)OC 1665548351 QHOWWCKEYDWHRC-OAHLLOKOSA-N 410.492 1.547 30 10 HDEE C#CCC1(O)CCN(C(=O)NCc2ccccc2CS(=O)(=O)NC(C)C)CC1 1678061718 XWLOKTJBZHBMSO-UHFFFAOYSA-N 407.536 1.574 30 10 HDEE CSc1ccc(CNC(=O)NCC2(N3CCOCC3)CCOCC2)cc1C#N 1683031060 HSEXHNYXJKMRMV-UHFFFAOYSA-N 404.536 1.961 30 10 HDEE N#C[C@]12CN(C(=O)NCCc3c[nH]c4c(Cl)cccc34)C[C@H]1CS(=O)(=O)C2 1684308972 WNXAEWMTDGIUCE-SCLBCKFNSA-N 406.895 1.944 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NC[C@H]3CN(Cc4ccncc4)CCO3)CC2)cn1 1684353074 QTIOAKUCLOWCQE-NRFANRHFSA-N 421.505 1.081 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCc1ccc(N2CCN(C)CC2)cc1 1685746556 TWRAYVVFLWHQAN-UHFFFAOYSA-N 414.550 1.967 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)C1 1685839714 WHWAAHQIPWTPCA-LJQANCHMSA-N 403.958 1.859 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C1 1686416485 LXOLDCRYBWWADY-OAHLLOKOSA-N 421.306 1.332 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC[C@@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)CO1 1687479142 NUWWGVQGIVTJQZ-SJORKVTESA-N 407.511 1.836 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1689973616 JJIANWZLIYISOP-UHFFFAOYSA-N 401.430 1.340 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 1690138163 UFAIVJPWPFGTHW-OAHLLOKOSA-N 423.517 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1690722802 WJUQAFKKVGNFHL-CABCVRRESA-N 419.463 1.055 30 10 HDEE Cc1nnc(N2CCC(c3nccs3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1693478632 JDYURQKEZADOGG-MSUUIHNZSA-N 413.507 1.953 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1705517047 NQZPSXHGCIUOIM-IAGOWNOFSA-N 409.556 1.351 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1Cc1cc(C)on1 1705546221 FKCVMAGLAWYRMM-UHFFFAOYSA-N 413.507 1.961 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(O)CCN(C(C)C)CC1 1705625922 BPHXGPJVVNKKTI-UHFFFAOYSA-N 412.538 1.661 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCc1nccnc1C 1705626934 NZWDISCSTNDSLA-UHFFFAOYSA-N 423.477 1.433 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](C(=O)NCCC)C1 1705661485 CODSYUTYLXOSMC-SJORKVTESA-N 405.568 1.891 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@]1(O)CCSC1 1705678843 QXTVKSUAIJNJNY-XAMWDVODSA-N 406.552 1.862 30 10 HDEE C=CCN(c1nnc([C@@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1)C1CC1 1705855045 URERIRFRLFNDJM-MRXNPFEDSA-N 417.535 1.915 30 10 HDEE COCC[C@@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1712317940 DIHLSHYNVFPBAA-LEWJYISDSA-N 412.494 1.306 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(OC)cc2)n1C[C@]1(O)CCN(C)C1 1712453172 DNUQDMRTUXGZEV-NRFANRHFSA-N 414.510 1.387 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1Cc2ccccc2O1 1722294404 HADFNIDBHNDDFX-UAGQMJEPSA-N 400.504 1.642 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1722333544 XBYWEIAJPWKVQL-CVEARBPZSA-N 418.523 1.669 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1722335531 OJIAGFUJUBFVGJ-QGZVFWFLSA-N 417.560 1.674 30 10 HDEE C=C(C)Cn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722526112 NZOQKTNONJAQAP-WIYYLYMNSA-N 416.526 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(CCOC)[C@H]1CC[C@H](C)C1 1722697636 NIAIGWYVIDJZGG-RDJZCZTQSA-N 401.515 1.622 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1723121347 FKWLLUUHXBKZEA-BBTUJRGHSA-N 420.533 1.971 30 10 HDEE C[C@@H]1CSCCN1c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1726757369 HEFMAUGOPMMKBM-OYLHUBKDSA-N 402.524 1.699 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCOCC(F)F 1727607495 BWJNAYIOTOOGBT-CYBMUJFWSA-N 406.441 1.499 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCOCC2)C1 1729929496 HNTHYDKNJCAXEV-UHFFFAOYSA-N 410.478 1.324 30 10 HDEE CC(C)C#CC(=O)N1C[C@H](C)OC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)C1 1736591270 CMRIMRBHORIXQA-SIFVSHMBSA-N 400.519 1.678 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cccc(OC)c1 1740532254 CVKWJNJMDDMRQR-LSDHHAIUSA-N 405.524 1.598 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCc1ccc(F)c(F)c1F 1740684475 SITVTERFGIFGJZ-HNNXBMFYSA-N 421.423 1.975 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)cc1 1740686360 RJSRNJWESZYOIG-MRXNPFEDSA-N 406.483 1.454 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCN(CC)C(C)C)CC1 1740690337 RNFQNEJEQVXJOV-UHFFFAOYSA-N 424.553 1.411 30 10 HDEE C#CCN1CCN(c2nnc(CC)n2Cc2cccc(CN3CCO[C@H](C)C3)c2)CC1 1740696863 IVYBZJLYLOIHGB-HXUWFJFHSA-N 422.577 1.865 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](OCCOC)C1 1740709159 BNCMZRWAYYUFLV-MRXNPFEDSA-N 407.540 1.122 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1740841288 VAOOODBPDXGUPQ-FQEVSTJZSA-N 417.535 1.216 30 10 HDEE C=CCN(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1740902750 XVGAYGCATGLRGP-UHFFFAOYSA-N 405.466 1.292 30 10 HDEE CCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCNS(=O)(=O)CC 1744729008 RGGPSUAKXYKUTA-SJORKVTESA-N 402.524 1.523 30 10 HDEE CCC[C@H](Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1)OC 1745292014 XFFYWKWSKBHONQ-UWVAXJGDSA-N 407.515 1.863 30 10 HDEE CN(C[C@H]1CCCO1)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1747999243 LIHZWKBAXPFJDY-GOSISDBHSA-N 417.473 1.974 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 1748818270 YKZVOKSVAXMRTA-HUUCEWRRSA-N 414.478 1.454 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1748839006 LPLRVUOJVMJORV-UHFFFAOYSA-N 400.442 1.325 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCCCCC1 1748863905 KKCXZMKCOJETCG-GOSISDBHSA-N 420.583 1.227 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1748926708 HYIVRQBDOLVYHL-WBVHZDCISA-N 412.469 1.172 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749033632 KKMFXOOTTSKFFJ-UHFFFAOYSA-N 417.579 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCCNS(C)(=O)=O 1749065083 TWASLRAGNKGNFT-LJQANCHMSA-N 402.524 1.580 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2noc3c2COCC3)n1CCCC(=O)N(C)C 1749065150 VGALGOOEKVEYHE-OAQYLSRUSA-N 412.494 1.866 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1749193868 RUNLOBHLDAWQEE-OAHLLOKOSA-N 417.539 1.627 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCSC2)CC1 1749343044 VYHJKNQNKNGTLK-MAUKXSAKSA-N 412.581 1.451 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nccs2)C1 1749456592 ILNNCGYXKJEISB-HUUCEWRRSA-N 418.523 1.856 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCNC(=O)C1)C(C)C 1749558493 WMYHYEWMCZYBFV-MSOLQXFVSA-N 402.543 1.417 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CN2CCCCC2)C1 1749682933 DBLGEWOYYNQPQM-ZWKOTPCHSA-N 402.543 1.744 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccccc1F 1751216234 BWYCKZVIMAVAIO-SJCJKPOMSA-N 410.450 1.518 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)CN(C)C2=O)n1 1751840606 AGJLPLIYNMTBAR-OAQYLSRUSA-N 410.526 1.748 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1cccc(-n2cncn2)c1 1760119454 ACYDVRJOUNUNJG-MRXNPFEDSA-N 404.478 1.487 30 10 HDEE C#CCCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1760138019 PKUYEYCJEQEUIZ-RBUKOAKNSA-N 416.570 1.622 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)OCC)[C@H]1CCS(=O)(=O)C1 1760190238 USUXQBBCZUWGLZ-INIZCTEOSA-N 420.539 1.120 30 10 HDEE C#CCN1CCN(c2nnc(C3CC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 1760259340 AHYZFBAFQFOIAO-INIZCTEOSA-N 412.460 1.174 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760338644 NXMIPCJTZCPEPV-FQEVSTJZSA-N 422.526 1.960 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2NC(=O)CC2(C)C)C1 1760546095 IRUIBQGAYAAMIN-MSOLQXFVSA-N 410.522 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CC(C)C)C1 1760547312 IGHSIFXVLCEJTP-KRWDZBQOSA-N 423.583 1.987 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCC[C@@H](C)C1 1760695108 AVFFZICOIRHUPG-ZACQAIPSSA-N 408.572 1.508 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2Cc2ccn(C)n2)CCOC1 1761282311 AOQZGDXKCZZHGT-RBUKOAKNSA-N 403.462 1.542 30 10 HDEE CCOCc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1cccn1 1766407189 IYIQILBGJDJPBN-UHFFFAOYSA-N 421.509 1.695 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCCOC1 1767420701 GUDDXMNGLJKMSH-INIZCTEOSA-N 403.508 1.724 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1769098735 HWWMKNLTJZCQIE-LBPRGKRZSA-N 401.471 1.516 30 10 HDEE COCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1771074080 NGHZXNDGLWVULK-QGZVFWFLSA-N 412.494 1.726 30 10 HDEE Cc1cc(F)ccc1N1C[C@H](C(=O)N=C2NS(=O)(=O)c3ccccc32)CC1=O 1850796064 WMXRCDWDRYCOJH-GFCCVEGCSA-N 401.419 1.752 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccc3c(c2)OCO3)c1COC)[C@@H]1CCN(C)C1=O 1850864062 ZSFLGCSPTDOSPP-CQSZACIVSA-N 413.434 1.001 30 10 HDEE N#Cc1cccnc1N1CCN(CCOC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 1852167247 WGXCUUXSGGKKIC-SFHVURJKSA-N 411.506 1.410 30 10 HDEE Cc1nn(Cc2ccccc2)c(NC(=O)[C@H]2CCCCN2S(C)(=O)=O)c1C#N 1852173041 LIYVYYBHXUUAOP-QGZVFWFLSA-N 401.492 1.864 30 10 HDEE CN=C(C[N+](=O)[O-])N(C)C(=O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 1852359969 GZKMRTZCADVUIJ-HNNXBMFYSA-N 418.372 1.722 30 10 HDEE COc1ccc(Cn2cc(C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)nn2)cc1 1852553811 SSJUQEBVMFCUKE-QGZVFWFLSA-N 406.402 1.579 30 10 HDEE COCCN1C[C@H](C(=O)Nc2c(-c3ccc(F)cc3)cnc3c(C#N)cnn23)CC1=O 1852583062 CHXHKIHEAIYWHD-CQSZACIVSA-N 422.420 1.840 30 10 HDEE Cc1ccc(S(=O)(=O)NC(=NOCC(=O)N2CCCC2)c2cccnc2)c(C)c1 1853490818 VSZYNISKYTUTGC-UHFFFAOYSA-N 416.503 1.978 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCCC[C@H](N(C)Cc3nc(C4CC4)no3)C2=O)CC1=O 1854124307 XRCGHRCGCQJRAX-CVEARBPZSA-N 415.494 1.321 30 10 HDEE C=C(C)CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C(=O)C1 1854502656 IQDOOMAULSRGGU-UHFFFAOYSA-N 423.510 1.473 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N(Cc3ccccn3)CC(F)(F)F)C2=O)CC1=O 1854967608 NORMNIBLZDOSEH-ZBFHGGJFSA-N 424.423 1.608 30 10 HDEE N#Cc1cc(C(=O)N2C(=O)Cc3cc(S(=O)(=O)N4CC5(CCC5)C4)ccc32)ccn1 1856142560 UXLQENOSPZVQTP-UHFFFAOYSA-N 422.466 1.857 30 10 HDEE COc1ccc2sc(N3CC(C(=O)N4CCN(CCC#N)[C@@H](C)C4=O)C3)nc2c1 1856193475 PBXLQXHBWHCDFU-ZDUSSCGKSA-N 413.503 1.714 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@@H](N3CCC(OC)(C(F)(F)F)CC3)C2=O)CC1=O 1857032724 JAANHUZXPPDQNR-ZIAGYGMSSA-N 417.428 1.192 30 10 HDEE C[C@@H]1CN(S(=O)(=O)CC#N)c2ccccc2N(C(=O)CN2CCCCC2)C1=O 1857066755 SCXWVPBSGVYLDE-OAHLLOKOSA-N 404.492 1.342 30 10 HDEE Cc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](N(C)c4ncccn4)C3)C2=O)cc1C#N 1857148609 CWXKBRSEXXBDMC-RBUKOAKNSA-N 404.474 1.609 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@@H]3CCN(Cc4cccnc4)C3)CC2=O)cc1C#N 1857165451 GNJWPDVREUGXRV-OAQYLSRUSA-N 403.486 1.821 30 10 HDEE N#C[C@@H]1CC12CCN(C[C@@H]1CC(=O)N(C(=O)c3cccc(-n4cnnn4)c3)C1)CC2 1857219348 IDRYZPLLXXRXAI-RDJZCZTQSA-N 405.462 1.277 30 10 HDEE Cc1ccccc1CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2C#N)C1 1858334316 FCXQGCLAHVTAMW-SFHVURJKSA-N 419.528 1.749 30 10 HDEE C=CCN(CC=C)C(=O)C1=C(N)Oc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc(C)cc1 1865729592 QJVSMDYGBIBQDH-INIZCTEOSA-N 422.485 1.288 30 10 HDEE C=CCOc1cn(CCCOCC)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870383250 BACCZCCOMCQFKA-UHFFFAOYSA-N 413.522 1.952 30 10 HDEE C#CCOc1cn(CCN2C(=O)CSC2=O)c(CN2CCC[C@H](C)C2)cc1=O 1870562801 XBFGSNXAAWILLN-HNNXBMFYSA-N 403.504 1.788 30 10 HDEE C=CCn1c(C(=O)N(CCOC)CCOC)cc2c(NCCCN(C)C)ncnc21 1875229381 WWHZAKBGRMEOCW-UHFFFAOYSA-N 418.542 1.716 30 10 HDEE COc1ccccc1OCC#CCNS(=O)(=O)c1ccc2oc(=O)n(C)c2c1 1890686756 WHTOTEYAMRKJDR-UHFFFAOYSA-N 402.428 1.501 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3cc(Cl)ccn3)CC2)CC1 1890975419 XRDGWUXAIVJLLJ-UHFFFAOYSA-N 404.942 1.997 30 10 HDEE Cc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCC(Oc2ncccc2C#N)CC1 1891086845 BWLRSQNDCRKZAL-HNNXBMFYSA-N 411.487 1.925 30 10 HDEE O=C(N[C@H](CS(=O)(=O)CCC#CBr)C(=O)O)OCc1ccccc1 1892237038 HCEYQKAZRMLOQA-CYBMUJFWSA-N 418.265 1.527 30 10 HDEE N#CCN(CC(F)(F)F)S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2003999848 MGVMLYRTCIHLED-UHFFFAOYSA-N 403.382 1.780 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N=c1cc[nH]c(C#N)c1 2066561618 BJCGIYKQJNFYOO-SFHVURJKSA-N 402.407 1.141 30 10 HDEE C=CCNC(=O)[C@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074692929 UIYOIXPKOFVGCX-HSUZBZBUSA-N 410.492 1.584 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)Nc1ccc(I)nn1 2173022205 NHFNEEFFRSVDQB-UHFFFAOYSA-N 400.201 1.895 30 10 HDEE C[C@H]1CCN(S(=O)(=O)N2CCC(C#N)CC2)C[C@H]1CNC(=O)OC(C)(C)C 2174779952 ORGJFAYSIFPWEM-GOEBONIOSA-N 400.545 1.949 30 10 HDEE N#C[C@@H]1CN(CC(=O)CN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 2209168581 RTLFJKGIOGDFHO-GOSISDBHSA-N 402.454 1.562 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](NC(=O)c2coc(B3OC(C)(C)C(C)(C)O3)c2)C1 2247779373 RYVRSLZYUVKJQT-KBPBESRZSA-N 422.287 1.289 30 10 HDEE Cc1ccc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC(NC(=O)C(F)(F)F)C2)n1 2247836395 BLCIDUOSRUZBSB-UHFFFAOYSA-N 413.205 1.192 30 10 HDEE CC(C)(C)OC(=O)N(CCO)CC(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248402647 ZIRWAFJKHKBPSC-UHFFFAOYSA-N 421.303 1.549 30 10 HDEE COC(=O)[C@H](C)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267355870 WFYXKHJPUBOAFG-QMMMGPOBSA-N 409.722 1.541 30 10 HDEE Cc1cc(S(=O)(=O)NCCC[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2267364331 XUFGNEKLTZDGQJ-DEOSSOPVSA-N 407.388 1.403 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267717349 BRRXTUXFQKXSDV-VXGBXAGGSA-N 404.388 1.029 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CNCCOC3)c2Cl)OC1(C)C 2281945286 GSJKBACMTQEFBM-LLVKDONJSA-N 400.737 1.667 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)OC1(C)C 2282013822 MCZKZYIAIZKDMR-LLVKDONJSA-N 400.331 1.092 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)[C@@H]1N 2282331933 UAYTZXKKPLEXQQ-LALPHHSUSA-N 400.375 1.794 30 10 HDEE CC(C)[C@H]1NCC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282335890 VXIBNQQHHFNLOS-UONOGXRCSA-N 400.375 1.712 30 10 HDEE CC1(C)[C@H](O)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343547 GIQBKODUVRBNGG-CYBMUJFWSA-N 401.359 1.971 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CC[C@@H](N)C(F)(F)C2)OC1(C)C 2282346553 WULMAIYYXJGIRS-LLVKDONJSA-N 408.301 1.404 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@](C)(O)C(F)(F)F)OC1(C)C 2282350101 IPTLWVHJIGBLEE-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC[C@@H]3CCC[C@@H]3O)c2)OC1(C)C 2282420222 WCKJVMTXVATAHZ-JSGCOSHPSA-N 401.359 1.877 30 10 HDEE C[C@@H](O)C1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC1 2282495222 JNLNUSFDZCMDHI-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@H](CCO)C2)OC1(C)C 2282507618 KAXYWRIKCJVUDN-MQMHXKEQSA-N 401.359 1.628 30 10 HDEE CC1(C)[C@@H](O)C[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869369 BSEFKSHEPWFHAG-STQMWFEESA-N 401.359 1.626 30 10 HDEE CS[C@@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284413557 LTZVZJDBFMKEOM-CABZTGNLSA-N 421.371 1.530 30 10 HDEE Cn1nc(Br)c([C@H](O)[C@@H](N)C#Cc2ccc(Br)cc2)n1 2296278421 DHMXTBDDIIZGGW-CMPLNLGQSA-N 400.074 1.753 30 10 HDEE Cc1ncc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccc2)c(C)n1 2296616787 CLLCIRNLWCRLED-FQEVSTJZSA-N 422.485 1.847 30 10 HDEE Cn1c(=O)c2nc(CC(=Nc3ccccc3)c3ccccc3)c(=O)[nH]c2n(C)c1=O 2297640448 KGESGEDWWDOVTQ-UHFFFAOYSA-N 401.426 1.684 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)OCCC[C@]2(NCC#CBr)C(=O)O 2306584606 HIAGYWXTHKKGDK-INIZCTEOSA-N 403.273 1.555 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2336232364 PLCOXDRTJOEKLO-GJZGRUSLSA-N 402.582 1.801 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 2365213549 VFNSTTUNQLHZLT-ZJIFWQFVSA-N 400.541 1.283 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)CC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367790963 IHJIXYKYHIUPKE-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CC(O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367806600 LTQHNURLEBDKPN-ZCGYKAAXSA-N 400.541 1.483 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@H]1C 2367811509 JBTREPGDHKKQAD-QMTMVMCOSA-N 400.541 1.306 30 10 HDEE C#CCN(CC(=O)O)C(=O)[C@H]1C[C@H](P(C)(C)=O)CN(C(=O)OC(C)(C)C)C1 2370297681 QVROJJDOJOMZES-KBPBESRZSA-N 400.412 1.781 30 10 HDEE CC1(C)[C@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)c1nc(C#N)c(C#N)nc12 39846137 LVEBWQMYFHSJLF-YADHBBJMSA-N 408.506 1.388 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)NCc2nnc(C(C)C)o2)n[nH]1 59880114 UZUIZUGZVBFQSF-BLLMUTORSA-N 418.487 1.208 30 10 HDEE CCN(C[C@H](C)C#N)S(=O)(=O)NC[C@H]1CCN(c2cc(OC)cc(OC)c2)C1 409499018 ITEQNCHFCXVTNS-HZPDHXFCSA-N 410.540 1.846 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc([N+](=O)[O-])c1C#N 443075702 ZVKIMRQNCMCNEH-OAHLLOKOSA-N 402.432 1.444 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460801665 IRQDZNQZXCYATG-PBHICJAKSA-N 421.523 1.748 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CC1 460860576 RMQGACBSJMTULX-QRVBRYPASA-N 412.538 1.061 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cc1 463313267 VWDKGOOCRPJPFD-NRFANRHFSA-N 422.485 1.706 30 10 HDEE Cc1cc(NC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)n(C2CCOCC2)n1 471927342 NCQDDXFWXFGJSH-UHFFFAOYSA-N 412.498 1.811 30 10 HDEE Cc1ncc(CNC(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc34)CC2)s1 479394169 RQHWBCRTHGFFDH-UHFFFAOYSA-N 420.498 1.836 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3F)o2)CC1 492420399 SIQOBJZUEWSTCJ-UHFFFAOYSA-N 400.454 1.860 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 504634586 HBOBMIWFCGWANB-WFASDCNBSA-N 420.470 1.722 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)CC1 510337156 ZFWAJYMYLQTHTL-SFHVURJKSA-N 411.510 1.465 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(F)c1 513122442 NWXYCKWQQWCVJQ-DENIHFKCSA-N 418.513 1.886 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)Cn3c(-c4ccccc4C)noc3=O)CC2)o1 519015388 STHJKAJZGIJDHV-UHFFFAOYSA-N 408.418 1.329 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cncc(Br)c2)CC1 520124632 RJICJIZOWXHKSB-UHFFFAOYSA-N 408.281 1.622 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 524567822 CBYXDKRGJQLTEV-NQIIRXRSSA-N 414.506 1.011 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NS(=O)(=O)c1cnccc1C(F)(F)F 526948189 ALPJKOVGUUJKMS-UHFFFAOYSA-N 402.358 1.333 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOC[C@H]2c2c(C)nn(C)c2C)cc1 539020222 CLURRZINOKPGBH-SFHVURJKSA-N 418.519 1.715 30 10 HDEE CCN(C(=O)CNc1ccn(-c2ccc(Cl)cc2C#N)n1)[C@@H]1CCS(=O)(=O)C1 542932905 XRSFTHVLNDDTMM-OAHLLOKOSA-N 421.910 1.845 30 10 HDEE CC[C@@H](Nc1c([N+](=O)[O-])c(C)nn1C)C(=O)N1CCN(c2cccc(C#N)n2)CC1 546904371 WWEFUJCGXBQDNJ-OAHLLOKOSA-N 412.454 1.443 30 10 HDEE C=C(C)Cn1c([C@H]2CCOC2)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 555242801 ZMGPOOLAGYCPPD-VQTJNVASSA-N 418.586 1.589 30 10 HDEE CNS(=O)(=O)c1cccc2c1CCN(C(=O)c1cc(C#N)c(SC)nc1O)C2 557138995 WGNFBWZLXKWNHD-UHFFFAOYSA-N 418.500 1.487 30 10 HDEE CC(C)N1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@H]1c1ccc(F)c(F)c1 561663308 XTPVJRKFQNYIFA-SJLPKXTDSA-N 403.437 1.951 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCOCC3CCC3)CC2)cc1 564647405 BRXDZKFJGCINCX-UHFFFAOYSA-N 405.520 1.892 30 10 HDEE COc1cccc(CC(=O)N2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)c1 583964525 OPDGDMZRGPMKCZ-UHFFFAOYSA-N 405.520 1.796 30 10 HDEE N#Cc1nccnc1OC1CCC(NC(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)CC1 585355340 DVATXZFTEZZNES-HPUBIQBYSA-N 413.478 1.182 30 10 HDEE O=C(CN1C(=O)c2ccccc2C1=O)N[C@H]1CCN[C@H](C(=O)/C=C/c2ccccc2)C1 585824690 XIAMBCNGGIYGGC-KTORXTNWSA-N 417.465 1.802 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)c(F)c1 586859603 CNKKWNFIEFUNSL-OALUTQOASA-N 402.470 1.198 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1ccccc1-n1cccn1 589450390 CBWYNWKMMVKAMD-OAHLLOKOSA-N 409.471 1.900 30 10 HDEE C[C@H](C(=O)NC(=O)NCC(F)(F)F)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 603444554 HATQGULNKNWERF-DOMZBBRYSA-N 415.391 1.785 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(OC)c(Br)c2)CC1 605417624 JXBLFRFBDASILK-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE Cc1nc(=NC(=O)c2ccc(=O)n(Cc3ccccc3)n2)n(-c2ccc(C#N)cc2)[nH]1 610232545 BAEBBYZTHUNTBN-UHFFFAOYSA-N 411.425 1.727 30 10 HDEE COc1ccc(S(=O)(=O)N2CC(NC(=O)NCc3ccc(C#N)cc3F)C2)cc1 613519195 BEVBZWNNNIUYMU-UHFFFAOYSA-N 418.450 1.578 30 10 HDEE COCCO[C@@H]1C[C@H](CO)CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 618466012 RVRXYEHIULNRKY-WMLDXEAASA-N 400.439 1.017 30 10 HDEE CC(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(C#N)C1 619849194 CZCGIKQAZIDDPF-CRAIPNDOSA-N 410.544 1.397 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 678704066 PVTPZLWBBFBNMC-WRFANHODSA-N 403.504 1.592 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cnc(C(F)(F)F)cc2OC)CC1 683058843 YWFVTYYGGDXYIK-UHFFFAOYSA-N 401.389 1.561 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C)c1C 727415478 QUDZEQIDRNIRCR-UHFFFAOYSA-N 423.494 1.375 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NCC=C)sc(=Cc3ccoc3)c2=O)c1 727417414 KICUTZICXXVQHG-UHFFFAOYSA-N 401.447 1.279 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(-c3ccc(F)cc3)c2=O)cn1 732561936 XMEKXOGQIDNMQE-UHFFFAOYSA-N 423.473 1.036 30 10 HDEE N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)OCCCN1C(=O)CNC1=O 733398148 CVPUUUWYYJWUOZ-UHFFFAOYSA-N 418.353 1.255 30 10 HDEE CC(C)COc1ccccc1NC(=O)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 737305286 GLFJLTYCQJQGHT-ZCXUNETKSA-N 400.435 1.303 30 10 HDEE C[C@H](OC(=O)CCN/C(O)=C1\N=CC=CC1=O)C(=O)N1CCSc2ccccc21 741339439 GLZGJFPGTQWTQC-HVCBDAARSA-N 415.471 1.974 30 10 HDEE Cn1c(=O)c2cc(C(=O)OCc3cc(Cl)ccc3OCC#N)cnc2n(C)c1=O 746940789 BVXYSZFJDSTKFD-UHFFFAOYSA-N 414.805 1.545 30 10 HDEE C#CCN(C(=O)c1cn(-c2ccc(Br)cc2)cn1)[C@@H]1CCS(=O)(=O)C1 755628871 WSMSWTAEXYCPIV-OAHLLOKOSA-N 422.304 1.897 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 756883309 RYNDMBZCYAJGKK-UKRRQHHQSA-N 408.480 1.084 30 10 HDEE C#CCN(C(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)C1CCCC1 757171730 MWVHNYRHKTUTJZ-UHFFFAOYSA-N 403.548 1.706 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc(S(=O)(=O)NC(C)C)c[nH]1)c1ccc(C#N)cc1 764031982 HEHMFGYOBLRVJD-INIZCTEOSA-N 405.432 1.644 30 10 HDEE CC(C)C[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@H](O)c1ccccn1 767089463 CIMPOEDOAIKFSV-DLBZAZTESA-N 416.503 1.385 30 10 HDEE COc1ccc(-n2c(=C(C#N)C#N)sc(=Cc3cncc4ccccc34)c2=O)cn1 772903581 AJNIGNHZVFUENG-UHFFFAOYSA-N 411.446 1.877 30 10 HDEE C#CCN(C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1)[C@@H]1CCS(=O)(=O)C1 774047652 VTBNCWMGUUQGDZ-CQSZACIVSA-N 402.469 1.025 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1CN1C(=O)N[C@@](C)(c2cccc(C#N)c2)C1=O 774681180 ZHRQYRDEKNQSRK-FIKGOQFSSA-N 414.462 1.325 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2c2ncccn2)CCC1 784551170 PXHRZDGHFAPHPW-OAGGEKHMSA-N 403.508 1.754 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN2CCC1CC2 787526116 KTAQYUZIRQEFHU-QGZVFWFLSA-N 404.536 1.446 30 10 HDEE Cc1nnc(-c2cccc(C#N)c2)n1CN1CCC[C@@H](N2CCCS2(=O)=O)C1 788387237 NFVKLUHNBANLKJ-GOSISDBHSA-N 400.508 1.583 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CNC(=O)C3)C2)cc1 788579762 YGSGNTGWWGQJIQ-ODENVGOISA-N 419.507 1.243 30 10 HDEE C#C[C@@H](NC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1)c1ccc(Cl)cc1 810473063 COCGJEMZIVPYMI-OAHLLOKOSA-N 409.826 1.556 30 10 HDEE CC(C)N1CC[C@H](C(=O)N2CCN(c3ccc(C#N)cn3)CC2)[C@H](c2cnn(C)c2)C1 849506378 NEHHOOVKGZJKLN-SFTDATJTSA-N 421.549 1.849 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 918224187 NAWUQFUBNDXPQW-UHFFFAOYSA-N 424.480 1.961 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21 919845765 DASZMBUQIHABDK-HUUCEWRRSA-N 420.535 1.398 30 10 HDEE CCN1CCN(CC(=O)[C@H](C#N)c2nc(-c3c(F)cccc3F)cs2)C(=O)C1=O 920806844 REGLBKCEWPUNMR-NSHDSACASA-N 418.425 1.955 30 10 HDEE N#CC1=c2oc(=O)c(=Cc3ccccc3F)n2-c2oc(N)nc2[C@H]1c1ccccc1F 1084272601 HIBZOYPQPKNEGC-KRWDZBQOSA-N 418.359 1.927 30 10 HDEE CC[C@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC(C)(C)C 1130078824 XGAIHOSVQFUQGG-JKSUJKDBSA-N 414.462 2.000 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(OC)c(I)n1)C(=O)OC 1132197469 UDJBCCXSTRASCB-JTQLQIEISA-N 404.204 1.932 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCc3nc(C#N)cs3)c2)C[C@H](C)O1 1134474849 NBEUBFARWPPBFT-STQMWFEESA-N 420.516 1.743 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CCOc1ccc(Cl)cc1)c1cc[nH]n1 1135475949 GPFNWYBDUBTYIG-UHFFFAOYSA-N 408.842 1.884 30 10 HDEE CN1C(=O)NC2(CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1=O 1136908066 WYAGPJRIXCOAOA-ZDUSSCGKSA-N 407.471 1.116 30 10 HDEE COC(=O)C[C@](C)(NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccncc1 1138693932 VLNWMEBAEPECIA-IBGZPJMESA-N 419.434 1.726 30 10 HDEE COc1cc(C(=O)NC[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)ccc1C#N 1151321300 YGZBSCUCPKJNDB-PMACEKPBSA-N 404.470 1.896 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCC(=O)c2ccc(F)cc2)CC1 1152974891 WVHCRCIDXOEWTB-UHFFFAOYSA-N 409.483 1.181 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ncc(C(F)(F)F)cn2)c1 1158692804 NCKPBJISAZMWPV-UHFFFAOYSA-N 402.329 1.862 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)CCOCC1 1171497979 DQCWCQIGUGCMIZ-DOTOQJQBSA-N 406.527 1.895 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN[C@H](C(=O)OC(C)(C)C)c2ccnn2C)c1 1195748288 JJOJZBXAVHEOST-SFHVURJKSA-N 411.462 1.722 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)N=[S@](=O)(c1ccccc1)C(F)(F)F 1211187591 VSADRFMFXQOMJJ-DEOSSOPVSA-N 420.456 1.469 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1 1252072827 URBILNDJNNXUHO-WMZOPIPTSA-N 414.572 1.414 30 10 HDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)[C@@H]1c1ccc(F)cc1 1261204887 IIXBHRPZTXOZRJ-QUCCMNQESA-N 416.478 1.537 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)c1nccn2c(Br)cnc12 1264321705 DISZCHFBQHHMHE-UHFFFAOYSA-N 417.227 1.175 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1Cc2ccccc2N(C)C1=O 1278866266 PIZGPBCZFPVINA-SFHVURJKSA-N 402.458 1.854 30 10 HDEE C#CCCCCn1c(N2CCC[C@@H](NC(C)=O)C2)nnc1[C@@]1(OCC)CCOC1 1286334641 JSSRZTXNUIEUKG-WIYYLYMNSA-N 403.527 1.839 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1286400123 WWFBWGDKYNTSOY-ZWKOTPCHSA-N 420.583 1.226 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@@H]1C(=C)C 1286408869 GBNLIIXSOODYAE-KZNAEPCWSA-N 402.520 1.234 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1Cc1cc(OC)ccc1OC 1286432521 NFYCBHFDOAHQSX-UHFFFAOYSA-N 421.501 1.929 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCS(=O)(=O)C1 1286440360 VXVVUSAJOODNEE-CQSZACIVSA-N 402.476 1.568 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCc2cccnc2)CC1 1286473132 PDTPOKJZRTZFIE-QFIPXVFZSA-N 410.522 1.323 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC[S@](=O)C(C)(C)C)CC1 1286479935 QSDRQSAFEFKBRL-LJAQVGFWSA-N 414.579 1.951 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC[C@@H](F)C1 1286726837 JDUGMKQBQSGKIZ-KFWWJZLASA-N 401.508 1.371 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1286784403 GNTQWYWCSRZYAN-XJKSGUPXSA-N 414.897 1.616 30 10 HDEE CC(C)CN1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)C1 1287732944 AIWNCGSTVXWJJR-MSOLQXFVSA-N 417.558 1.513 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCC(=O)N1CCOCC1 1288513281 DAECJEQNRWKIDO-AWEZNQCLSA-N 417.901 1.981 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@H]2CCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1288532050 XAXKWCNFLHCMDA-RHSMWYFYSA-N 418.523 1.758 30 10 HDEE Cc1nnc(CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)C[C@@H](C)C#N)s1 1290681708 NTEJKJVCNVSWPU-JSGCOSHPSA-N 423.568 1.569 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cnn(CCO)c2)c1 1291721460 KVCUIQKGZJEACQ-PYCFMQQDSA-N 419.507 1.721 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)CCCc2nn[nH]n2)CC1 1293136232 DQBYNYOKFWKAEE-HNNXBMFYSA-N 418.299 1.694 30 10 HDEE C#CCN(CC(=O)N(CCO)Cc1cc(OC)ccc1OC)C(=O)OC(C)(C)C 1295832953 XRTHXNJWBPXCFT-UHFFFAOYSA-N 406.479 1.895 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCC(C)(C)O)C[C@H]1O 1299413190 KMCIENLUSIVJIU-IAGOWNOFSA-N 413.478 1.338 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CC[C@@H](C(F)F)N1CCOCC1 1300300048 WBAIAJOJXBRMPN-ZBFHGGJFSA-N 405.453 1.549 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300315465 YAYQHCVRUWXTFT-DOTOQJQBSA-N 422.455 1.985 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)COCCO2)CC1 1300692718 MAVQDSFWCLVXDY-QFIPXVFZSA-N 406.490 1.377 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@@]2(O)CCSC2)CC1 1300700994 CLTIBBKGKWVAIV-NRFANRHFSA-N 415.538 1.631 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2Cc2nncn2C)CC1 1300708402 RRVJZYUUSZXBGG-UHFFFAOYSA-N 406.494 1.098 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)C2CC2)CC1 1300756834 VACSXGXFOGPDAH-INIZCTEOSA-N 416.551 1.044 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccccc2)CC1 1301064565 XOVIFVSNTLPOEX-OXJNMPFZSA-N 419.551 1.952 30 10 HDEE C#C[C@H](NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)C1CCOCC1 1301131968 HEOIWIVUARFQEX-KRWDZBQOSA-N 422.503 1.061 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCNC(=O)C1)C(C)C 1301371556 QGCRBNKFULKOBC-ZWKOTPCHSA-N 402.543 1.764 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2COc3ccccc3O2)n1C[C@@]1(C)CN(C)C1=O 1301968785 PRRHHTSLFWBLPC-SOIKWTOOSA-N 410.478 1.865 30 10 HDEE COCCOCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1302208535 ISPRRIZMUWRJAW-UHFFFAOYSA-N 422.493 1.790 30 10 HDEE C#C[C@@H](NC(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC)C1CCOCC1 1310580752 NJXXXONQJJBHRU-QGZVFWFLSA-N 421.519 1.480 30 10 HDEE COc1ccc(C[C@@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1OC 1312412238 KGUQZFSTNHQKMQ-IIMJZQEZSA-N 421.519 1.462 30 10 HDEE CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1314661475 NSULVKVTHQVAEF-CVEARBPZSA-N 400.458 1.764 30 10 HDEE CN(c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCN/C(O)=C1\N=CC=CC1=O)C1CC1 1314680172 HHSPZNGTPDSHDE-HTXNQAPBSA-N 423.433 1.978 30 10 HDEE CN(CC1CC(F)C1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1314783199 NXNZIXGRBMPNTH-HTXNQAPBSA-N 413.457 1.984 30 10 HDEE Cn1cccc1-c1nnc(N2CCC(CC#N)CC2)n1CC1(S(C)(=O)=O)CC1 1314911256 DZLPARSMAOYDCL-UHFFFAOYSA-N 402.524 1.991 30 10 HDEE CN(C)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1318371351 HQZMZVLQJNXLDD-ICSRJNTNSA-N 404.470 1.727 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCOC[C@@H]1OC 1358954150 XBAMVBACQHQNRT-APWZRJJASA-N 400.479 1.987 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1358960366 CTDWNWYQCGILEA-IBGZPJMESA-N 422.514 1.605 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359135280 YEHBEGAOOJSOAW-FQEVSTJZSA-N 423.521 1.959 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](C)N(CC)C[C@H]1C 1359142348 FYQQFPYTZNFDGL-MJBXVCDLSA-N 404.968 1.560 30 10 HDEE C=CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1359216447 WKSUNBURNPGUNB-SFHVURJKSA-N 404.559 1.785 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N(C)CCOC 1359291302 LNDVUAQPUJRISZ-UHFFFAOYSA-N 400.483 1.532 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N(C)[C@@H]1CCOC1 1359296154 YQUXHEWKKKOIHZ-OAHLLOKOSA-N 401.467 1.490 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC2 1445634250 VTFHCMYNQSDUGD-KBPBESRZSA-N 406.487 1.443 30 10 HDEE COCc1nc2n(n1)C[C@@H](NC(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2 1445634286 VTFHCMYNQSDUGD-UONOGXRCSA-N 406.487 1.443 30 10 HDEE C#CC[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)OC 1451177903 HKDQLPHWKKISHK-QZTJIDSGSA-N 420.487 1.114 30 10 HDEE Cc1ncc(I)c(N2CCN(c3ncccc3C#N)CC2)n1 1458086794 ZMBCHLCZKAJHAB-UHFFFAOYSA-N 406.231 1.983 30 10 HDEE COC(=O)c1ccc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)c(C#N)n1 1458313581 BOEJHPKQMXDDDB-CYBMUJFWSA-N 406.398 1.241 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1461718407 KOGJBHGEDMRCEV-UHFFFAOYSA-N 401.282 1.783 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Br)C1 1464519597 GKOSFNSITRTKER-LLVKDONJSA-N 406.323 1.887 30 10 HDEE CCON(CC)C(=O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1470159468 GJBMXTLZJMPRSJ-CHWWFWEZSA-N 408.499 1.689 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)C1 1471832312 CAARQELAOFKYPB-WOJBJXKFSA-N 403.548 1.442 30 10 HDEE COC(=O)[C@@H]1c2ccccc2OCCN1CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1 1473855905 UITSOVKGVLROEQ-RXVVDRJESA-N 414.506 1.287 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)Cc2cc(OC)ccc2Br)C1 1475667759 UFXNWXPHGACRES-AWEZNQCLSA-N 401.326 1.975 30 10 HDEE CN(CCC(F)F)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1503570828 YTAXJMOUPAQTEB-BMRADRMJSA-N 420.424 1.296 30 10 HDEE C#CCCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C1[C@H]2CCC[C@H]12 1507562958 BUFSRNZGJAFXRW-ULQDDVLXSA-N 421.567 1.649 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CC1 1507689952 NXDYUBZDCFNAPM-INIZCTEOSA-N 407.540 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(Br)c2)n1CCC(=O)NC 1507704266 VWPBQJUCUPIJFC-UHFFFAOYSA-N 420.311 1.930 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C#N)C1 1507806371 NDQKSHCCMYQEAF-GGPKGHCWSA-N 411.510 1.850 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1507962329 QOHMIQDXTGPAPL-OWCLPIDISA-N 402.499 1.069 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CC=CCC1 1508041919 VVXMWRALJSCEAM-UHFFFAOYSA-N 414.510 1.907 30 10 HDEE C=CCSCCn1c(N2CC[C@]3(CNC(=O)C3)C2)nnc1[C@]1(OCC)CCOC1 1508169291 ZVJGKAPBCNNQGT-PMACEKPBSA-N 421.567 1.566 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2CCN2CCOC[C@H]2C)CCOC1 1508413788 VWUFGXBOIJZROD-DBXWQHBBSA-N 420.558 1.635 30 10 HDEE CC(C)CN1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1509422512 WKGLAAUBKJWXNQ-ZZEZOPTASA-N 413.526 1.460 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@H](C#N)C2)C1=O 1517406297 MKBZMEZUXPEHSJ-ZUOKHONESA-N 416.432 1.354 30 10 HDEE CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3Cc4ccc(C#N)cc4C3)ccc21 1536360733 GIHUWKUJUGQSBZ-FQEVSTJZSA-N 402.454 1.481 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCC)CC1 1539116131 GMVPAMDCJHAGPU-QGZVFWFLSA-N 400.527 1.775 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)OCCCO2)[C@@H]1CCS(=O)(=O)C1 1539205026 FDMDLPHOXJPNOJ-QGZVFWFLSA-N 416.503 1.423 30 10 HDEE C#CCN(c1nnc(C)n1CCOc1cc(C)cc(C)c1)[C@H]1CCS(=O)(=O)C1 1539206632 SPCKURHJIIZRKO-SFHVURJKSA-N 402.520 1.909 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCCN1CCCCC1=O)[C@H]1CCS(=O)(=O)C1 1539215366 AOECMMRIPWYNHD-KRWDZBQOSA-N 419.551 1.185 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1cccc(OC)c1OC)[C@@H]1CCS(=O)(=O)C1 1539218772 CSFIMAUSYZJLTH-MRXNPFEDSA-N 418.519 1.533 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1Cc1cc(C)nn1C 1539400827 MCTNTSOQCVWAAP-NRFANRHFSA-N 416.526 1.495 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(C(C)C)CC2)CC1 1539431089 ORTOQYJVJUMSCW-MRXNPFEDSA-N 408.572 1.080 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nccs2)CC1 1539480768 DZRZPEPUWUYSOP-OAHLLOKOSA-N 400.508 1.253 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1539776282 XYVLBFONLCRQMS-YIYPIFLZSA-N 403.936 1.502 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCNS(C)(=O)=O 1540073157 OQBWPLDPZFBMPO-INIZCTEOSA-N 407.496 1.352 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)c1cc[nH]n1 1540164903 YCHXVXJJNIZDFH-UHFFFAOYSA-N 424.465 1.337 30 10 HDEE C=CC(=O)Nc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c1 1540728353 CZTHXZUCLLZYOG-UHFFFAOYSA-N 424.482 1.829 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1540899336 KROGVWYUMCAVKY-IBGZPJMESA-N 419.507 1.164 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(C2OCCO2)c1 1541113719 ZBUGITGXTVAFIE-RHSMWYFYSA-N 410.478 1.919 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C)(C#N)CC2)n1CCCNC(=O)C1CCC1 1541652990 SRPLBGBMNUNMJA-UHFFFAOYSA-N 415.542 1.853 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCN1C(=O)COc2ccccc21 1542542059 PESMPSALYCHDGH-HNNXBMFYSA-N 401.463 1.835 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCCS(=O)(=O)CC3)C2)C1 1543124192 LZSLFDAEWFZGAR-XAUUPUKJSA-N 411.524 1.420 30 10 HDEE CN(C)C[C@](C)(C#N)NC(=O)c1cn([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nn1 1544117099 NQDIGAJOLLLJAG-KUHUBIRLSA-N 405.503 1.424 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)c1 1544507863 AHVYUFRFPSBHHQ-ROUUACIJSA-N 411.545 1.911 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1545696546 RAQKVQPPWLOKAY-KGLIPLIRSA-N 415.498 1.906 30 10 HDEE CCS(=O)(=O)NCCn1c(Cc2ccsc2)nnc1N1CCC[C@@](C)(C#N)C1 1552403705 UAUPSDZKNGABCZ-SFHVURJKSA-N 422.580 2.000 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1554382881 PCKXMXUMGCPRKE-WMLDXEAASA-N 423.521 1.550 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1554481094 DXTHKKNMHKVAIE-QGZVFWFLSA-N 409.494 1.257 30 10 HDEE Cc1ccc(C#N)cc1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 1556080933 ZHGJUOSMYKTEAG-UHFFFAOYSA-N 401.444 1.846 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(Br)ccc1C(=O)OC 1561799268 QKUWTSMSCOHFMW-LBPRGKRZSA-N 404.282 1.942 30 10 HDEE C#Cc1ccc(NC(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)c(Cl)c1 1563326930 SUULSKZRIVLDQE-UHFFFAOYSA-N 418.928 1.443 30 10 HDEE C#CCOc1ccc(CNC(=O)NCc2ccc(CN3C(=O)CNC3=O)cc2)cc1 1564799036 VOLKANMOGAPVLS-UHFFFAOYSA-N 406.442 1.750 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1 1583214050 PXGDJMDFJOCECA-LSDHHAIUSA-N 403.545 1.776 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2c[nH]nc2CC(C)(C)C1 1586001023 GOISLXFHKDFXAR-ZDUSSCGKSA-N 401.492 1.559 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(C)cc2)n1CCCn1cc(CO)nn1 1587673768 RTMVHAAZAINLHL-QGZVFWFLSA-N 409.494 1.798 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(S(N)(=O)=O)c(Br)c1)C2 1587923746 FPLXMYVASATZKE-CQSZACIVSA-N 420.288 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(COc2cccc(C)c2)n1CC1(O)CCOCC1 1588672774 HHPDCBDABKPLKY-UHFFFAOYSA-N 414.506 1.793 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](OC)C(C)(C)C)CC1 1588732835 HLOUMGWVWPIFPA-QGZVFWFLSA-N 402.543 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(S(C)(=O)=O)CCC2)CC1 1588884674 JQENIYOCCDBJBI-UHFFFAOYSA-N 421.567 1.335 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1595529846 JRSNKSHSFLABCW-RDJZCZTQSA-N 409.494 1.198 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([S@](C)=O)CCC1 1596830989 HHPFVRSQCZPVLO-YFONVMMFSA-N 413.569 1.077 30 10 HDEE C=CCNC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2Nc1nccc(-c2ccccc2OC)n1 1616132276 MBERMFJXRXLJMZ-RWQQGDIJSA-N 411.462 1.584 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCN(CCn2cncn2)CC1 1618545466 MDURIJYKEKLUCN-QGZVFWFLSA-N 419.530 1.400 30 10 HDEE C#CCN(C(=O)c1cc(Br)cc2nc(O)[nH]c12)[C@@H]1CCS(=O)(=O)C1 1625363156 LARPCCLOHIRIHY-SNVBAGLBSA-N 412.265 1.294 30 10 HDEE CN1CCc2c(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)cccc2C1=O 1629583522 OTYBXNIYOIYDLQ-UHFFFAOYSA-N 412.471 1.382 30 10 HDEE COC(=O)c1ccc(CC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)cn1 1629710593 ZPAPQVJLMSSAQW-UHFFFAOYSA-N 418.457 1.799 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cn1 1630714327 GIZQYGFLYKDHQG-PKOBYXMFSA-N 401.467 1.651 30 10 HDEE N#CCC1(O)CN(C(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)C1 1634380486 OPECVKTVHBWXCO-ZROIWOOFSA-N 405.476 1.904 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@]2(c3ccccc3)C[C@H](O)C2)c1 1634849806 HINIMULUKZZATD-XGAFWQRZSA-N 400.500 1.973 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)CC1 1635048604 DZHYTVAMQWJPFZ-CYBMUJFWSA-N 418.416 1.808 30 10 HDEE C#CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)NCc1cccc(Br)c1 1636838966 PIXFIAIRLPSHRC-HOTGVXAUSA-N 408.296 1.624 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1cc2ccccc2nc1O 1637807097 CFOMZXFHZBFIEH-ZDUSSCGKSA-N 410.455 1.795 30 10 HDEE Cn1cc(CNC(=O)[C@H]2C[C@@H](O)CN2c2ccncn2)c(-c2ccc(C#N)cc2)n1 1638375645 QASNYCFKODSLSW-QZTJIDSGSA-N 403.446 1.005 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)c1 1639154870 LLHLXTFMWOMUPM-MJGOQNOKSA-N 402.447 1.247 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1640062872 ZNGBECZCDVCNOP-ZUCKAHLUSA-N 408.417 1.693 30 10 HDEE Cc1c(C(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cnn1CCC#N 1640156250 PSSFPBSFMDODTP-CYBMUJFWSA-N 403.240 1.556 30 10 HDEE Cc1nc(=NC(=O)Cc2c(C)nc3[nH]n(C)c(=O)c3c2C)n(-c2ccc(C#N)cc2)[nH]1 1641300461 FWHRKNISVQDUHP-UHFFFAOYSA-N 416.445 1.242 30 10 HDEE Cc1cc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)c(C#N)cn1 1642066435 OKGASWLYTSTZNU-UHFFFAOYSA-N 401.448 1.900 30 10 HDEE CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c(I)n2)CC1 1644033728 SBQNFHQECNIWSH-UHFFFAOYSA-N 416.219 1.161 30 10 HDEE COC(=O)C1CC2(C1)CN([C@@H](C)C(=O)NC1(C#N)CCC1)C[C@H]2C(=O)OC(C)(C)C 1644460388 CSJSFGZKWGQWBG-ANZKDXPISA-N 419.522 1.780 30 10 HDEE C#CCN1CCN(C(=O)c2cnn3cc(CCNC(=O)OC(C)(C)C)cnc23)CC1 1648425320 QACOMBCUPRRCQB-UHFFFAOYSA-N 412.494 1.188 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C(=O)c4ccc(C#N)o4)C3)[C@@H]2C1 1650818625 DMPOTLLCXLXDAF-XPKDYRNWSA-N 416.434 1.806 30 10 HDEE Cc1ncc(S(N)(=O)=O)cc1C(=O)N1CCC(B2OC(C)(C)C(C)(C)O2)CC1 1651184476 CXZQGDDYHXBAKQ-UHFFFAOYSA-N 409.317 1.736 30 10 HDEE COc1ccc(C(=O)N2CCc3c(sc(N)c3C#N)C2)cc1S(=O)(=O)N(C)C 1653211279 XHMCQTLJXQFBCN-UHFFFAOYSA-N 420.516 1.659 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2Cc3ncccc3N3CCC[C@H]3C2)c1 1653406469 QSXBRPGWTFWNOC-KRWDZBQOSA-N 410.499 1.618 30 10 HDEE C#C[C@@H]1CCCCN1S(=O)(=O)c1ccc(OC)cc1NS(=O)(=O)C(F)F 1657314156 SMCBFDXHYVEGOB-LLVKDONJSA-N 408.448 1.836 30 10 HDEE C=CCC1(NS(=O)(=O)c2cnn(C)c2I)CCOCC1 1664330170 LDQVUICYXXYEQO-UHFFFAOYSA-N 411.265 1.428 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC1(C(=O)N2CCOCC2)CCCCC1 1666107783 DLMTYLHKZNTFFB-UHFFFAOYSA-N 407.492 1.407 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1671458967 JABPIXYBZMIBDH-MRXNPFEDSA-N 413.565 1.093 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)C[C@H]1C 1671494865 HHJIVIAYYWCKKU-TWMKSMIVSA-N 409.531 1.496 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1684024778 GTBUQTMCLZSSJV-GJZGRUSLSA-N 419.544 1.037 30 10 HDEE CCOC(=O)c1cc(CNC(=O)N2CCN(c3ccc(F)cc3C#N)CC2)on1 1684694130 DYHDGYUUNJKFDN-UHFFFAOYSA-N 401.398 1.894 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1689927773 BWZKXUOWLNILFG-CVEARBPZSA-N 400.483 1.406 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1690047094 LJEOHLACRMYGQM-MOPGFXCFSA-N 408.506 1.646 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C)N1CCC(C)CC1 1690102393 KCAWSTMRCHNYRL-ZWKOTPCHSA-N 402.543 1.436 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1Cc1ncnn1-c1ccccc1 1690108010 LZVZDCXVFPTWLP-GOSISDBHSA-N 407.478 1.845 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1690288258 PAFOAPVMIFFVQX-HNNXBMFYSA-N 407.540 1.251 30 10 HDEE C=C(Cl)Cn1c(N2CCO[C@H](COC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690359269 XHHRPDAQQGFXOW-MAUKXSAKSA-N 400.907 1.923 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)Nc1ccc(F)cc1 1690527665 QWWBLYFNTPLLHL-CYBMUJFWSA-N 407.471 1.580 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)C1 1690696465 CHRLYDSPBFCQHM-DLBZAZTESA-N 416.526 1.413 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(C)(C#N)CC3)n2Cc2ncn(C)n2)CCOC1 1692580460 MMDAFHBIHILYIS-FQEVSTJZSA-N 414.514 1.626 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCOC3)n2CC(=O)N2CCOCC2)C1 1692851825 GTIKWKJFDCGPFL-OXJNMPFZSA-N 402.499 1.161 30 10 HDEE CCO[C@@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CCc2nnc(C)s2)CCOC1 1696050458 BCNVHEQVYSLDHE-ROUUACIJSA-N 421.502 1.775 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@@H]4OC(=O)O[C@@H]4C3)n2CCOCCCO)c1 1698484808 OOKUXANTVATKJO-DLBZAZTESA-N 413.434 1.330 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 1705515465 FIIJJICSUDUZFM-RTBURBONSA-N 413.570 1.249 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2nc(C)cc2C)n1CCCCN1CCOCC1 1705584996 GVXIZXYHWZEJBB-UHFFFAOYSA-N 409.538 1.325 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccco1)N(C)C 1705604837 UYZLTEXOAPJOSO-LSDHHAIUSA-N 408.528 1.244 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1CC1(N(C)C)CCC1 1705621792 OHWYAEMVSWMZOC-UHFFFAOYSA-N 411.510 1.496 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCn2nc(C)cc2C)CC1 1705637604 DQWBQBQOEALOQO-UHFFFAOYSA-N 406.538 1.942 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1705659902 JAJAEVWMCAELPS-HOTGVXAUSA-N 412.581 1.552 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCc2ccc(Cl)nc2C1 1705903485 WYRAXFWZWIUNRK-AWEZNQCLSA-N 402.886 1.695 30 10 HDEE CC[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709301122 XVCYXSFBGSKUEH-SYWZAZHRSA-N 400.483 1.545 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N(CCC#N)CC2CC2)CC1 1712685550 KTZNPFBIROTPFV-MRXNPFEDSA-N 407.540 1.879 30 10 HDEE CS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712700571 LJMLPAJCROIXAC-UHFFFAOYSA-N 402.480 1.125 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H]2OC(=O)O[C@H]2C1 1722316774 MKBNYKHFTZQSJN-KFWWJZLASA-N 408.480 1.098 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCNC(=O)OC(C)(C)C)CC1 1722437833 JBIQBDKDDRTTMX-UHFFFAOYSA-N 413.526 1.943 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N1CCN(CC(=O)NCC)CC1 1722457227 ULKBHJCSFYGZNZ-UHFFFAOYSA-N 412.563 1.570 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H]1CC[C@@]2(CCOC2)O1 1722673825 FSILUEWQZCJBFL-UZLBHIALSA-N 407.515 1.393 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722698229 WKXKROVBIAHMOE-UHFFFAOYSA-N 409.494 1.137 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCS(=O)(=O)CC2CC2)C1 1722725930 UNORVSDBBPEOSK-DLBZAZTESA-N 410.540 1.736 30 10 HDEE CC1(C)CN(c2nnc([C@H]3CCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1724032083 MBDSBYKUGSQISY-ZMMDAZFZSA-N 416.482 1.271 30 10 HDEE CCN1CCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1728612722 QTSCQAMUDAQQCT-DXQAYGFFSA-N 401.515 1.458 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccncc2Cl)CCO1 1731188772 IODJWFZKQOQGPU-KGLIPLIRSA-N 422.898 1.006 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCN1CCOC1=O)[C@@H]1CCS(=O)(=O)C1 1740615838 MDVVFDOZOVZAFF-OAHLLOKOSA-N 423.539 1.045 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCOCC(F)F)[C@H]1CCS(=O)(=O)C1 1740617408 QQPKWCCYGQSERF-KBPBESRZSA-N 404.483 1.700 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCc1cnn(C)n1 1740634873 QASRUEQPUWVBRU-UHFFFAOYSA-N 403.446 1.508 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1740649628 YXFFUMSWASPCLM-CVEARBPZSA-N 407.540 1.166 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1740667468 FEKBJHJAWUEWAE-QGZVFWFLSA-N 420.521 1.807 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2COc3ccccc3O2)n1Cc1cnn(C)c1C 1740686336 QSMNGZMNLUKLHQ-HXUWFJFHSA-N 422.489 1.967 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCc2ccc(O)cc2)CC1 1740707971 XKILRTDHIZLLLC-UHFFFAOYSA-N 411.506 1.729 30 10 HDEE C=CC1CCN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(=O)N(C)C)CC1 1740837527 XSJONKUORYIBIS-UHFFFAOYSA-N 407.482 1.411 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H](C)CC)n1CC1(O)CCS(=O)(=O)CC1 1740937212 VRCWHBWVLIRFOZ-HNNXBMFYSA-N 400.545 1.370 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCCn2ccnc2C)C1 1740969756 ARVBXOXEFGXBRT-QGZVFWFLSA-N 401.515 1.793 30 10 HDEE Cc1nc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@H](C#N)C2)sc1C 1742047522 FRKOYUDRTWPJIK-CQSZACIVSA-N 401.496 1.251 30 10 HDEE Cc1ccc(C(=O)NCCn2c([C@@H]3CCOC3)nnc2N2CC[C@](F)(C#N)C2)cc1 1742152522 DDTYCVHOZUQZDD-UTKZUKDTSA-N 412.469 1.962 30 10 HDEE Cc1nc(C)c(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)s1 1742551006 BSPIBYVYSIVRBE-JQWIXIFHSA-N 411.557 1.606 30 10 HDEE CCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1744301069 GACCAUPIWDUKGE-HOTGVXAUSA-N 407.540 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc2c[nH]nc2c1 1748640943 YWRKOVAQTGFEED-ZIAGYGMSSA-N 415.523 1.465 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC(C)C 1748656617 UIMPMZASEPDKAI-ZDUSSCGKSA-N 410.931 1.779 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1748841959 CJFCNCRKQIFLTR-NYHFZMIOSA-N 418.457 1.207 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749131031 PPCVVWJORDZOGI-AITUJVMLSA-N 403.527 1.820 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCN1CCSCC1 1749143927 ORRYTNBOHRHMFM-OAHLLOKOSA-N 416.617 1.340 30 10 HDEE C=C(C)Cn1c(N(C)CCCS(C)(=O)=O)nnc1[C@@]1(OC(C)C)CCOC1 1749207362 JJJOVRNZDYCCJA-GOSISDBHSA-N 400.545 1.766 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(C)(=O)=O 1749585064 XBPJUEYEKNEWJO-KRWDZBQOSA-N 417.535 1.509 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN2C(=O)CC[C@@H]2C1 1749671515 CZDNLBCQJJQYHE-QGZVFWFLSA-N 412.469 1.121 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CC[C@@]2(CCOC2)O1 1749925033 LLSPFUCGQGWJDT-VIPLHTEESA-N 407.515 1.936 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)Cc1ccccc1 1751089230 DDUUMRBNNBQFHA-KRWDZBQOSA-N 423.521 1.911 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H](C#N)C2)n1C/C=C/c1ccccc1 1751230981 FOFCLRAXIKHMEX-PQMVAPIISA-N 416.507 1.330 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1CCCN(CC)S(C)(=O)=O 1760120962 OQRWIXFSROGKNC-MRXNPFEDSA-N 404.540 1.393 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2C[C@@H](C)N(C)C)c1 1760125096 DNLBMRPOGKRCBV-MRXNPFEDSA-N 418.505 1.741 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(C)C)n2C[C@]2(C)CN(C)C2=O)c1 1760126577 CNLXOTXGFCHROU-QFIPXVFZSA-N 408.506 1.936 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CCN2CCCC2)c1 1760129194 ZQIRCXRIAVNCOG-LJQANCHMSA-N 422.533 1.934 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCCNC(=O)C1CCC1 1760177922 RUJJMMYJETVHOR-UHFFFAOYSA-N 414.535 1.645 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCC1(O)CCOCC1 1760196386 MPFZOSKPYMIXSS-QFIPXVFZSA-N 416.522 1.323 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCC(=O)N1CCOCC1 1760204092 CEXRIFSSZWZZMF-UHFFFAOYSA-N 409.465 1.330 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C(N)=O)CC1 1760312921 GNNLRAPVYAPCJN-IRXDYDNUSA-N 416.526 1.197 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1760355296 FAEMSIFGSWCKNT-IBGZPJMESA-N 420.539 1.286 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)NC(C)(C)C)CC1 1760389075 BFPKNAQJPMWPRO-OAHLLOKOSA-N 409.556 1.641 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2CCCC2)CC1 1760389887 WCFWDVOBOOKXKO-KRWDZBQOSA-N 409.556 1.958 30 10 HDEE C=CC1CCN(c2nnc(Cn3nc(C)cc3C)n2CCNC(=O)c2cc[nH]n2)CC1 1760404493 BZWOCUWZHQYJKZ-UHFFFAOYSA-N 423.525 1.695 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCN(C(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1760528548 GMWMWKHFRMKBGJ-NRFANRHFSA-N 420.558 1.153 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCc2ccn(C)n2)C1 1760536521 IBJVZEJKWXDOSD-GHTZIAJQSA-N 416.526 1.688 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760554871 PKLKSJQHBDHDLZ-OAHLLOKOSA-N 418.585 1.091 30 10 HDEE CC[C@@H](C)c1nnc(N2C[C@H](OC)[C@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1763832847 UZHOALIJUFFZJX-YVELXBATSA-N 418.498 1.168 30 10 HDEE CCN(C)C(=O)Cn1c(N2CCC[C@](C)(C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1766386061 KMYURRQORKIHKS-NHCUHLMSSA-N 418.542 1.927 30 10 HDEE CO[C@](C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](F)(C#N)C1)C1CC1 1767991200 AUWMLQKQACCPRF-VHSSKADRSA-N 411.503 1.437 30 10 HDEE CO[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1768004450 CFVNWOCPEHSFCN-KGLIPLIRSA-N 406.512 1.431 30 10 HDEE O=C(c1ccc(Cn2cnnn2)cc1)N1CCCC1=NS(=O)(=O)C(F)(F)F 1851539618 KARMVFZDJZSKCR-UHFFFAOYSA-N 402.358 1.206 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3noc4ccc(F)cc34)[C@H](C)C2=O)CC1=O 1853892629 FLKRRKYEKZGETA-ZIAGYGMSSA-N 414.437 1.561 30 10 HDEE CC(C)N([C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCCN(C(=O)c2cccc(C#N)c2)C1=O 1854097076 GMBRTBXSWQBXSQ-RTBURBONSA-N 417.531 1.977 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)c4cccnc4)C(=O)C3)C2)c(F)c1 1854163645 BFYLSWDUUOXXKI-LJQANCHMSA-N 407.449 1.651 30 10 HDEE COc1cccc(S(=O)(=O)N2C[C@@H](OC(=O)Cc3ccc(C#N)cc3)CO2)c1 1854380441 VHIZTJIKPKLJAY-QGZVFWFLSA-N 402.428 1.657 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2c(C)noc2C)C(=O)[C@H]1C 1854788523 IPGWVPQOJLUSRV-GDBMZVCRSA-N 424.523 1.080 30 10 HDEE CCOc1ccc(C(=O)N2CCN(CCOc3ccc(C#N)cc3)[C@@H](C)C2=O)nn1 1855976163 VDNDCWJELFRRAH-HNNXBMFYSA-N 409.446 1.499 30 10 HDEE Cc1ccnc2ccc(C(=O)N3CCN(S(=O)(=O)CC#N)C(C)(C)C3=O)cc12 1856047801 UOEZJMHLIRMJLR-UHFFFAOYSA-N 400.460 1.460 30 10 HDEE C=CCN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1(C)C 1856395746 SBJJAADPOJJJDU-UHFFFAOYSA-N 419.547 1.723 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)c3cc(OCC(F)(F)F)ncn3)C1=O)CC2 1856532067 REWCTTCMVPIPFU-JSGCOSHPSA-N 423.395 1.784 30 10 HDEE N#Cc1cccc(OCC2CCN([C@@H]3CCN(C(=O)C[C@@H]4CCOC4)C3=O)CC2)n1 1856976676 VJRUASDTCGRMAI-PKOBYXMFSA-N 412.490 1.598 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3cccn(Cc4ccccc4)c3=O)C2=O)CC1 1857253279 UMKODOBQVJDRJL-HXUWFJFHSA-N 404.470 1.873 30 10 HDEE Nc1cccc(C(=O)C2=C(O)C(=O)N(CCCNC=O)[C@H]2c2ccc(C(=O)O)cc2)c1 1862559077 GYQYSGAYSNUMMN-SFHVURJKSA-N 423.425 1.681 30 10 HDEE N#Cc1ccc(Cn2nnc3c(=O)n(Cc4nc(O)c5ccccc5n4)cnc32)cc1 1870101767 IIZPYDDZHNPJLO-UHFFFAOYSA-N 410.397 1.605 30 10 HDEE CS(=O)(=O)Nc1ccc(C(=O)Nc2c(C#N)nnn2-c2cccc(F)c2)cc1 1870143248 DSXVHWPQYXVLTN-UHFFFAOYSA-N 400.395 1.902 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@@H]2CCCO2)c(=O)cc1CN1CCC[C@@H](C)C1 1870542041 MNXVHEADBNKTNB-MJGOQNOKSA-N 403.523 1.940 30 10 HDEE C#CCOc1cn(CCNC(C)=O)c(CN2CCN(c3ccccc3)CC2)cc1=O 1870563985 WSUIHTRTUFKYAV-UHFFFAOYSA-N 408.502 1.319 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCC)cn1CCNC(C)=O 1870681715 KJXRMROSEMFQPK-UHFFFAOYSA-N 404.511 1.063 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)COc2nonc2C(=O)N2CCCC2)nc1C 1872678898 QAHCWUSJCTUVPC-UHFFFAOYSA-N 421.435 1.431 30 10 HDEE COC(=O)c1ccc(CSc2nnc(CNC(C)=O)n2/N=C/c2ccccn2)o1 1874433204 NFHFIDGWSOFBAI-ZVBGSRNCSA-N 414.447 1.863 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NCC#CCN(C)C)SCC(=O)N2C(C)C)cc1 1889195968 XPNJBCNBGYZVLA-UXHICEINSA-N 403.548 1.770 30 10 HDEE N#Cc1ccnc(O[C@@H]2CCN(C(=O)c3cccn(Cc4ccccn4)c3=O)C2)c1 1889747692 KEJNDOARDRFHMO-GOSISDBHSA-N 401.426 1.852 30 10 HDEE C=C(Br)CS(=O)(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 1982298010 MGMOKVLCDPSQTM-LBPRGKRZSA-N 413.334 1.840 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 1982298508 VVXGQIABERBBFE-NWDGAFQWSA-N 411.318 1.545 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cccc(F)c1C#N)C(=O)O 2151771259 AMZOIAUVHWTODE-LBPRGKRZSA-N 401.416 1.344 30 10 HDEE C#CCn1ncc(Cl)c(NCc2c(I)cnn2C)c1=O 2189870227 JLEMKGSQYZHIRB-UHFFFAOYSA-N 403.611 1.480 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)N1CC(F)(F)C[C@H]1CC#N)C1CS(=O)(=O)C1 2234013428 CZLUKWNRBYSPMR-VXGBXAGGSA-N 407.439 1.074 30 10 HDEE Cc1c(C(=O)NCC(=O)NCc2ccccc2)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247777202 KCUBOAPTUOVJRE-UHFFFAOYSA-N 412.299 1.074 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247856970 PGFLBBRCWIKKJY-NEPJUHHUSA-N 423.323 1.146 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CC[C@@H]1OCc1ccccc1 2247858131 LFWUTSLXUQPRKY-CVEARBPZSA-N 412.299 1.592 30 10 HDEE Cn1cc(C(=O)N(CCC(=O)O)Cc2ccccc2)c(B2OC(C)(C)C(C)(C)O2)n1 2248589469 QFEHRMDJMOFQAX-UHFFFAOYSA-N 413.283 1.836 30 10 HDEE CC(C)(C)N(CCC#N)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258184894 IXXZQVYDPAXSEC-OAHLLOKOSA-N 411.480 1.710 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)c1nncs1 2267370562 NLKYOYQJZAPDEZ-SECBINFHSA-N 401.344 1.938 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@](C)(=O)CCN)sc1B1OC(C)(C)C(C)(C)O1 2267708885 SAAJSUOMXQSMTR-XMMPIXPASA-N 408.376 1.101 30 10 HDEE N#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c(F)c1 2270504680 WUDQHOGAAREFHP-INIZCTEOSA-N 421.406 1.819 30 10 HDEE Cc1csc(C(=O)NCCS(=O)(=O)C(F)F)c1B1OC(C)(C)C(C)(C)O1 2282002511 PEUZQRAFVFULJF-UHFFFAOYSA-N 409.285 1.723 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1 2282064339 YJFJMTCCCDFAKZ-LLVKDONJSA-N 402.347 1.385 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(C)CCCCN3)s2)OC1(C)C 2282328807 CXSZJBUHWYKTBF-QGZVFWFLSA-N 400.375 1.858 30 10 HDEE COC1(OC)CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282344666 LYGNVHRXYSIYGO-UHFFFAOYSA-N 403.331 1.431 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CC[C@H](CCN)C2)OC1(C)C 2282344983 FGOBENWNTSKMQJ-CHWSQXEVSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CCCNC2)OC1(C)C 2282490731 KNUINYAOZVNEAI-LBPRGKRZSA-N 400.737 1.670 30 10 HDEE C[C@H]1[C@@H](O)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282494844 DIKFMIZJSOGBJG-FZMZJTMJSA-N 401.721 1.783 30 10 HDEE CS[C@@H]1CNC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282499963 GYYGESAGTQGYIL-CHWSQXEVSA-N 418.415 1.170 30 10 HDEE C[C@H]1C[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503124 VFNXZKVHRTYDQS-RYUDHWBXSA-N 402.347 1.117 30 10 HDEE CN(C)CCONS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282510679 CDWCQCHMVFPBDK-UHFFFAOYSA-N 404.725 1.411 30 10 HDEE CSCC[C@@H](C)NS(=O)(=O)c1nc(C)n(C)c1B1OC(C)(C)C(C)(C)O1 2282510861 FQPOJSNFFUNPRW-LLVKDONJSA-N 403.379 1.448 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCC1CCC2(CC1)OCCO2 2282533523 MIBVFTOUICHCHS-UHFFFAOYSA-N 405.304 1.382 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282833770 JXJNKKIZEFTZHX-QWHCGFSZSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H](N)C(F)(F)F)s2)OC1(C)C 2282868064 IBRVIOOAFBVGPX-VIFPVBQESA-N 414.280 1.605 30 10 HDEE C=C(CS(=O)(=O)N=[S@]1(=O)CC[C@@H](CN)C1(C)C)B1OC(C)(C)C(C)(C)O1 2282872905 DDAGTIDGHWOXSF-CANCMXDXSA-N 406.379 1.729 30 10 HDEE C[C@@H]1C[C@H](CO)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880479 JOGIYQCWEJBYBP-OLZOCXBDSA-N 401.359 1.580 30 10 HDEE C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282883218 XMDGGANRUOYDQE-CHWSQXEVSA-N 401.359 1.829 30 10 HDEE CC1(C)OB(c2ccccc2CCNS(=O)(=O)C2CC3(C2)OCCO3)OC1(C)C 2295339600 KXXDKNXHVOIUON-UHFFFAOYSA-N 423.340 1.353 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CC(F)(F)CN1S(=O)(=O)N1CCC[C@H](C#N)C1 2296366185 GKZBLWSRLLEAPF-CHWSQXEVSA-N 408.471 1.701 30 10 HDEE C=CCc1cc(C=C2C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(OC)c1O 2297345473 ZQPVTDQBBOLXRS-UHFFFAOYSA-N 420.472 1.751 30 10 HDEE CCOc1cc(C=Nn2c(S)nnc(C)c2=O)ccc1OCC(=O)N(CC)CC 2323009516 HCCJVTMTHYNPJA-UHFFFAOYSA-N 419.507 1.764 30 10 HDEE CO[C@@H]1CN(C(=O)OCc2ccccc2)[C@@](C)([C@H](O)C#CC(C)(C)S(C)(=O)=O)C1 2339647505 BDCWDOJSZIFFGR-WAOWUJCRSA-N 423.531 1.990 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C 2365202382 NSCOQPWSVRJGQP-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)CN(C(=O)OC(C)(C)C)C(C)(C)C 2365206757 IRTNJODUKPYGER-GJZGRUSLSA-N 404.573 1.798 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(CC[C@@H](N)C#CC2(S(C)(=O)=O)CCC2)CCOC1 2367799638 BYBNHSHHJCDRJL-QAPCUYQASA-N 400.541 1.748 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](C)(O)CCN(C)C(=O)OC(C)(C)C 2367827071 DNDCOKLDJXPXNJ-MAUKXSAKSA-N 402.557 1.553 30 10 HDEE COc1ccc(-c2ccc(=O)n(CCNC(=O)COc3ccc(C#N)cc3)n2)cc1 13604306 RILYCQFGGGDLQV-UHFFFAOYSA-N 404.426 1.986 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3cccnc3)n2N)c(C)c1 20292665 SHFBPICTZFBKPY-UFFVCSGVSA-N 412.479 1.881 30 10 HDEE COc1ccccc1NC(=O)CSc1nnc(N/N=C/c2cccc(O)c2)n1N 20806276 GZVRQUHNPSLCKD-KEBDBYFISA-N 413.463 1.883 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@]3(N4CCOCC4)CCSC3)cc2C1=O 29347945 ZHTNQWCDSHDRCP-OAQYLSRUSA-N 415.515 1.406 30 10 HDEE C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]1(COC3=O)[C@@H](OC(C)=O)CCC(C)(C)[C@H]1C=O 34287842 ORDKVFHKMGUXSQ-MVVUPFSZSA-N 404.459 1.609 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)CC1 50555646 IJJXOTFTGYZSCV-UHFFFAOYSA-N 419.547 1.463 30 10 HDEE C=CCn1cc(/C=N/Nc2nc(SCC(=O)Nc3nnc(C)s3)n[nH]2)cn1 59832430 WCQIODJFMFFKRF-PJQLUOCWSA-N 404.485 1.524 30 10 HDEE N#CCCN1CCN(C(=S)NC(=O)CCC(=O)OCCc2ccccc2)CC1 100435607 RWGVYNCAEITRAR-UHFFFAOYSA-N 402.520 1.485 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 301365553 SEWINWYGLYGCGI-UHFFFAOYSA-N 404.879 1.821 30 10 HDEE N#CCCN(CCC#N)C(=O)CSC[C@H](NC(=O)OCc1ccccc1)C(=O)O 304964834 LMWQHVZTFCPEDX-INIZCTEOSA-N 418.475 1.755 30 10 HDEE Cn1cc(C/N=C2/NC[C@H]3CN(C(=O)OC(C)(C)C)CCN23)c(C(F)(F)F)n1 305251425 VDRAQLMUFAWLRM-LBPRGKRZSA-N 402.421 1.819 30 10 HDEE COc1cc([N+](=O)[O-])ccc1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 430217956 IFBXRVOTDPCJHY-UHFFFAOYSA-N 416.459 1.982 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2ccc(NS(=O)(=O)Cc3ccccc3)cn2)CCO1 432799183 ATUKPUNSDIEDHC-INIZCTEOSA-N 401.448 1.780 30 10 HDEE C=C(C)Cn1c(-c2cccnc2)nnc1N1CCCN(S(=O)(=O)C2CC2)CC1 460374607 WJQHSTSZNVIVEJ-UHFFFAOYSA-N 402.524 1.921 30 10 HDEE COc1ccc(C(=O)N2CCC(NS(=O)(=O)CC3(C#N)CC3)CC2)c(OC)c1 463340414 NYIFKUUQZNJMCT-UHFFFAOYSA-N 407.492 1.532 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472148936 BDZNSGWVPHYRGD-MRXNPFEDSA-N 424.505 1.844 30 10 HDEE Cc1cc(N2CCC[C@@H](N3CCN(c4nc5c(cc4C#N)CCC5)CC3)C2=O)n(C)n1 472494926 GDEXKDUNXLMAOK-HXUWFJFHSA-N 419.533 1.802 30 10 HDEE C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCN(CCC(=O)N(C)C)CC1 473057914 YTRJTZILTJAUIR-QGZVFWFLSA-N 403.502 1.557 30 10 HDEE CN(Cc1ccco1)C(=O)[C@H]1CSCN1C(=O)CNC(=O)c1ccc(C#N)cc1 473953911 VVASKALALNJMAF-QGZVFWFLSA-N 412.471 1.441 30 10 HDEE Cc1nccc(Cn2c(=CC(=O)C3CC3)sc(=Cc3cc(C#N)cs3)c2=O)n1 479586365 BGOGOYYCQQLIJB-UHFFFAOYSA-N 408.508 1.578 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NCCn2cc(Br)cn2)cn1 480194883 GHTVOTBJUPDAFB-UHFFFAOYSA-N 401.228 1.920 30 10 HDEE CCN(CC)C(=O)CN1CCCN(S(=O)(=O)Cc2ccc(C#N)cc2F)CC1 481031177 CBCGQVUYVVBDOK-UHFFFAOYSA-N 410.515 1.403 30 10 HDEE CCOC(=O)c1ccc(N2CC(NS(=O)(=O)c3cnc(C)c(C#N)c3)C2)nc1 489655853 OIRZPIDVHNNTDT-UHFFFAOYSA-N 401.448 1.001 30 10 HDEE COC(=O)C[C@@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)cc1OC 489678134 WFXLUVLOMXSAKW-QGZVFWFLSA-N 419.459 1.862 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1 502676367 AWQJHOFRVWOUDR-OOHWJJMZSA-N 406.508 1.767 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1)c1ccccc1 507901232 HJSDIUBPNCKYMG-QGZVFWFLSA-N 411.443 1.837 30 10 HDEE C=CCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508801653 MNOJNHUCUQZWTE-CYBMUJFWSA-N 409.537 1.327 30 10 HDEE C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(c2ncccc2C#N)CC1 514731879 LQZRXZCIRIMGRK-QGZVFWFLSA-N 422.489 1.041 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(CCc3ccc(OC)cc3)CC2)C1=O 523000779 WDLHKHKFMGPKGH-UHFFFAOYSA-N 413.474 1.843 30 10 HDEE N#Cc1nccn1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 534803394 FQJXBJKHDGHEKR-UHFFFAOYSA-N 409.855 1.068 30 10 HDEE N#Cc1cc(S(=O)(=O)N(Cc2cccnc2)[C@H]2CCS(=O)(=O)C2)ccc1F 538275927 DDDLZKMJKWKVMF-HNNXBMFYSA-N 409.464 1.470 30 10 HDEE CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(C#N)n4)CC3)ccc21 544840418 RTWXGYMXKMRULN-UHFFFAOYSA-N 411.487 1.373 30 10 HDEE CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCCC1 546076234 SDDAKHMIXYLMFP-AWEZNQCLSA-N 401.529 1.568 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](c3nc(C4CC4)no3)C2)cc1S(=O)(=O)NCC#N 560918811 SZSJEVKDUBABSZ-HNNXBMFYSA-N 415.475 1.687 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cnn(CC)c1 578085664 NQCDDYVNFDRTAX-INIZCTEOSA-N 423.543 1.040 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc3c(c2)CCCC3)c(=O)n1C[C@H]1CCCO1 579306590 KPVLALGMFMEFHT-GOSISDBHSA-N 423.538 1.217 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NC[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1C#N 584007368 SSVIOPWOMFYVGQ-KXBFYZLASA-N 415.490 1.968 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)C1 604031046 NAYLBKBVBOAOKR-AWEZNQCLSA-N 420.514 1.964 30 10 HDEE CCCn1c(CCC(=O)N2CC[C@@](F)(C#N)C2)nc2cc(S(N)(=O)=O)ccc21 615609186 RZNXEAOJUVMPHT-GOSISDBHSA-N 407.471 1.490 30 10 HDEE CCN1CC[C@H](NC(=O)NCCCc2nn(-c3ccc(C)cc3)c(N)c2C#N)C1=O 619829166 CCIDMSQGDZLSKE-SFHVURJKSA-N 409.494 1.487 30 10 HDEE C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 728812037 VSEVJVDATFEQDU-NSHDSACASA-N 400.416 1.611 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)C1(c2ccc3c(c2)OCCO3)CCCC1 732152642 FLGUCNLDNYIHOW-FMQUCBEESA-N 411.458 1.912 30 10 HDEE COc1cc2cc(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)[nH]c2c(OC)c1OC 732153041 DHJYWWYNYCPVML-SILNSSARSA-N 414.418 1.450 30 10 HDEE O=C(Cn1c(-c2cscn2)nc2ccccc21)NCCN/C(O)=C1/N=CC=CC1=O 732154394 VAALVPOQZPXZDW-ZZEZOPTASA-N 422.470 1.802 30 10 HDEE CN(C)CCN(Cc1cccc(F)c1)C(=O)NCCN/C(O)=C1/N=CC=CC1=O 732464962 AONVGKQIJLOAIP-HNENSFHCSA-N 403.458 1.425 30 10 HDEE N#C[C@H](C(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ccccc1 732494799 NJKUQPWGUGTWKN-QUCCMNQESA-N 416.437 1.810 30 10 HDEE C[C@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1ccc(S(=O)(=O)N(C)C)cc1 732701195 LJQBNHQZQXPOPZ-WMLDXEAASA-N 405.524 1.380 30 10 HDEE COCCNS(=O)(=O)c1ccc(C(=O)NCc2ccc(OC)c(C#N)c2)cc1 746873217 TWVFHOZTDKIKCZ-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc3c(c2)CCO3)c1=O 748063915 FMJIDFOKYMSRQD-UHFFFAOYSA-N 410.495 1.363 30 10 HDEE CC[C@](C)(NC(=O)CCCCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC 748787481 ORJKTEWBNOXDAD-IBGZPJMESA-N 409.508 1.743 30 10 HDEE Cc1ccc(NC(=O)COC(=O)Cc2cccc(C#N)c2)cc1S(=O)(=O)N(C)C 750434428 VUIORTBSTVGZLW-UHFFFAOYSA-N 415.471 1.841 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@@H]2CCOC2)C1=O 751669633 VPOIJUXNYUTIGF-CVEARBPZSA-N 408.499 1.614 30 10 HDEE CCOC(=O)[C@@H](CCC(C)(C)C)NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 753048078 UEKUOOGICHAGFX-OAHLLOKOSA-N 423.535 1.989 30 10 HDEE CN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@@H]1CCN(Cc2ccccc2)C1 762365062 JVSAROYIIZNXNI-QGZVFWFLSA-N 412.515 1.458 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 763605279 INKIBDGWANDOCW-DOTOQJQBSA-N 406.527 1.803 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCn2cc([N+](=O)[O-])cn2)C1=O 768486650 NQGBGTPEZYUSNV-AWEZNQCLSA-N 420.426 1.698 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 768616039 BAOISJXOGBZQBO-UHFFFAOYSA-N 407.370 1.677 30 10 HDEE C[C@H](OC(=O)C#Cc1ccccc1)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 773446936 DNVAWTZSBAFSGR-GJZGRUSLSA-N 400.456 1.495 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 783017798 XUMYQZGRSDPXNU-GDBMZVCRSA-N 417.890 1.651 30 10 HDEE C#CCN1CCN(C(=O)[C@]2(NC(=O)OC(C)(C)C)[C@@H]3CCCO[C@H]3C2(C)C)CC1 783625368 RFDBVFKHTVXOKS-DRSNIGMVSA-N 405.539 1.862 30 10 HDEE C=CCn1c(-c2ccncc2)nn(CN2CCCN(CCOC)C(=O)C2)c1=S 787245466 GDZKKMRQSCOQAN-UHFFFAOYSA-N 402.524 1.800 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)Nc2cccc(S(C)(=O)=O)c2)n1 789324073 XDNATHWMBJCNGH-UHFFFAOYSA-N 404.492 1.007 30 10 HDEE N#C[C@@H]1CN(S(=O)(=O)N2CCC[C@H]2Cc2ccc(Br)cc2)CCO1 800021461 JWPZMOGYRKCFMV-JKSUJKDBSA-N 414.325 1.925 30 10 HDEE C=CCn1c(Cc2ccsc2)nnc1N1CCN(S(=O)(=O)N(CC)CC)CC1 800784077 VOCMIZJLHANQIS-UHFFFAOYSA-N 424.596 1.825 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 804457379 ULFXZKZNAQNDSD-CRAIPNDOSA-N 413.499 1.203 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)cc1C#N 805157906 WSGCQTLSYJCZTR-UHFFFAOYSA-N 402.495 1.189 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 805783282 VTRFDLZRHWBKQB-IRXDYDNUSA-N 406.529 1.817 30 10 HDEE NS(=O)(=O)c1ccc(C=NNc2ccc(-n3cccn3)nn2)cc1Br 807963646 FSAUKJARXCSWLM-UHFFFAOYSA-N 422.268 1.518 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2CC)CC1 811870585 DZBIJXVSEVFPDA-DLBZAZTESA-N 408.543 1.468 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2OC)n1CC)[C@H]1CCS(=O)(=O)C1 812024199 QTFAAUJQNYIVIB-AWEZNQCLSA-N 404.492 1.609 30 10 HDEE COc1cc(S(=O)(=O)NC(=O)CC2(C#N)CC2)c(OC)cc1Br 816033980 LFDRYARFZVGIMH-UHFFFAOYSA-N 403.254 1.965 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)N[C@H]2CN(c3ccc(Br)cc3)C2=O)cc1 817028924 SGWKXKVRKXVYAM-JKSUJKDBSA-N 400.232 1.886 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3cnccc3C#N)CC2)[C@@H](c2cnn(C)c2)C1 849593060 ARFDZHSFIMOKMO-NHCUHLMSSA-N 421.549 1.849 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CCN(C)C[C@@H]3c3cnn(C)c3)CC2)c1C#N 849597300 RZJUSGUKLKIFTR-SJLPKXTDSA-N 413.551 1.441 30 10 HDEE CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)[C@H](C)Oc2ccccc2C#N)CC1 914680267 WNQZEVLMFHNWMQ-GJZGRUSLSA-N 403.435 1.558 30 10 HDEE Cc1ccc(CN2C[C@H](C(=O)NS(=O)(=O)Cc3ccc(C#N)cc3)CC2=O)cc1 916775633 YQZZMGLCXSJEQB-LJQANCHMSA-N 411.483 1.861 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2 1124650027 CXJNDNLLJRHRIV-UHFFFAOYSA-N 409.372 1.461 30 10 HDEE Cc1cc(N2CC[C@H](NC(=O)c3cccc(C#N)c3Br)C2=O)n(C)n1 1126701230 PIOZKOJMTRQPNO-ZDUSSCGKSA-N 402.252 1.898 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN1C(=O)c1ccccc1OC(F)F 1132452282 PXIGLNCYEVWTNX-CQSZACIVSA-N 409.389 1.808 30 10 HDEE CC(C)(CNC(=O)COc1ccc(C#N)c(Br)c1)CS(C)(=O)=O 1133589331 XKNMVCBAKBBTBW-UHFFFAOYSA-N 403.298 1.887 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccc(OCC(=O)OC)c2)s1 1136411126 AWWAPEIVDCUQCB-UHFFFAOYSA-N 424.500 1.945 30 10 HDEE Cc1cc(NCCNC(=O)c2ccc(Br)cc2C#N)n2ncnc2n1 1137124656 REXVPECRDLIUNM-UHFFFAOYSA-N 400.240 1.909 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(NC(=O)c3c(F)cc(C#N)cc3F)C2=O)cc1 1140111160 OUSYXNKFNJUZME-LJQANCHMSA-N 400.341 1.957 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)[C@@H]2C1 1142158241 AEGZEBGLQDXVPV-AUVQNDJMSA-N 404.467 1.371 30 10 HDEE C=CCn1cc(CNC(=O)C2(n3cccn3)CCN(C(=O)OC(C)(C)C)CC2)nn1 1142659101 LCYZXHOABJPHKC-UHFFFAOYSA-N 415.498 1.703 30 10 HDEE C#CCCN1CCN(C(=O)C2([S@@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1142803995 UKWGQOVWAYNZNI-MUUNZHRXSA-N 411.568 1.302 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](Cc2ccccc2)c2ncon2)cc1 1143964600 CTYTTYOHVKHUDP-SFHVURJKSA-N 410.455 1.956 30 10 HDEE C=C[C@@H](C)ONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1 1144582722 LWKWQJQKDRZTEA-QGZVFWFLSA-N 423.535 1.539 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@H](C(=O)NCc2ccc(C#N)cc2)C1=O 1147462576 ITASYYKBUDBCQV-QGZVFWFLSA-N 400.479 1.938 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1159469551 FSXNXQASYNHYGM-YUELXQCFSA-N 422.507 1.397 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2ccncc2Br)cc1 1170998731 DBFIZBHOWLSWGI-UHFFFAOYSA-N 408.277 1.947 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)c1 1171271846 UJOWOQGBYXYJHM-UHFFFAOYSA-N 423.494 1.905 30 10 HDEE C#CC[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C1 1176070140 MLETWGOZEKBTCV-INIZCTEOSA-N 409.939 1.518 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1OC 1219086637 IYPUDOXGBONHPU-OCCSQVGLSA-N 419.297 1.947 30 10 HDEE Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N(C)C 1227975685 PNWBIAFUGXUGAB-JMVFIXPQSA-N 404.536 1.566 30 10 HDEE C[C@@H](COc1c(F)cccc1F)NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1230830587 GONBZQZFLVNZKH-JTQLQIEISA-N 405.361 1.133 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1233927186 FPOHBXXZFKPFQT-IRXDYDNUSA-N 422.526 1.278 30 10 HDEE COC(=O)[C@H]1CCCN(CC(=O)Nc2ncc(Cc3ccc(C#N)cc3)s2)C1=O 1264342076 NKXMLIDYIZSUPC-INIZCTEOSA-N 412.471 1.956 30 10 HDEE C#CCCCCn1c(C(=O)NC(C)C)nnc1N1CCC(NS(=O)(=O)CC)CC1 1286310932 AMDAINISHVDTBR-UHFFFAOYSA-N 424.571 1.128 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(OC)CCCC2)CC1 1286470985 FHLSAYCDFDRIDE-GOSISDBHSA-N 405.543 1.717 30 10 HDEE C=CCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C)C(=O)[C@H]1C 1286710491 YMZSSKGBKTUFHV-CQSZACIVSA-N 416.482 1.265 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N(C)[C@H]1CCCN(c2cccnn2)C1 1286793394 XDLDTMAQBIIVRN-INIZCTEOSA-N 414.514 1.012 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1)N(C)C 1288606477 DSIJUAZYSUYHJJ-MAUKXSAKSA-N 416.551 1.780 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)s1 1295344838 VOYZJVJGMCCFRY-FZMZJTMJSA-N 412.455 1.669 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)s1 1299563014 JVUHMDCAYWLCPH-INIZCTEOSA-N 400.460 1.796 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](C)[C@@](C)(O)c1ccccc1 1300229038 QWHUJHZINFGYDX-BXTJHSDWSA-N 401.488 1.637 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCCc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1300482604 GFUISVJJRAZPEJ-FUHWJXTLSA-N 418.567 1.785 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@](C)(OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1300496858 VMJICXFWLRNWMO-WRWLIDTKSA-N 422.551 1.224 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCOC[C@@H]1OC 1300621026 JQFGPNVJVSBBFL-YOEHRIQHSA-N 401.467 1.517 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCN2CC)CC1 1301105485 KEIRRHYNSAVABE-RDJZCZTQSA-N 410.588 1.775 30 10 HDEE C=CCn1c(N2CCC[C@@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1301473675 HMCWRTKJBUIFAT-KFWWJZLASA-N 404.515 1.937 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@](F)(C#N)C1 1301492375 HJRROWFRQCPLEK-FQEVSTJZSA-N 412.425 1.460 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CC(=O)N(C)C 1301978003 SWDJIIWCXAEZJK-OAHLLOKOSA-N 400.483 1.598 30 10 HDEE COCCOCCn1c(COc2ccc(C)cc2)nnc1N1CCO[C@H](C#N)C1 1302230405 PWYYXZUCNWLBPO-GOSISDBHSA-N 401.467 1.557 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)c1cc(C#N)c[nH]1)C2 1303640725 PDHUGJZJVMLZTC-LAPQFRIASA-N 402.451 1.805 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](C(N)=O)C1 1303950792 RRRXQUHXSOMWHO-IAGOWNOFSA-N 421.505 1.433 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC[C@@H]1COCCO1 1316186418 ASXQOWBBKWRPJV-MBOZVWFJSA-N 407.515 1.938 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NC3CCN(C(=O)CC(F)(F)F)CC3)CC2=O)cc1 1318204555 HJBQOSYXFNKDTO-CQSZACIVSA-N 422.407 1.971 30 10 HDEE CC(=O)N[C@](C)(C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1)C(C)C 1354285418 IWIYFWCPZPBORQ-WDUNQMNWSA-N 408.524 1.989 30 10 HDEE C#CCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](C(F)(F)F)C1 1358905332 XIDKTQMUGSBEMX-CHWSQXEVSA-N 423.461 1.459 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](C(F)(F)F)C1 1358905335 XIDKTQMUGSBEMX-STQMWFEESA-N 423.461 1.459 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@H]1CCCS(=O)(=O)C1 1358943753 ULNYJNYIGQEYPQ-HNNXBMFYSA-N 418.519 1.857 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1358960367 CTDWNWYQCGILEA-LJQANCHMSA-N 422.514 1.605 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(CC(C)C)C1 1358981695 UGEXVLLSVYPCDK-HXUWFJFHSA-N 410.566 1.841 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2oc(CCC)nc2C)CC1 1359035601 YMVPBOCBTSNMME-MRXNPFEDSA-N 411.510 1.282 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1359237602 GHXYKIKVFBSTNB-UHFFFAOYSA-N 400.512 1.642 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1359303821 BUBPDJFSJUGEJU-ROUUACIJSA-N 413.526 1.305 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(COC)CCOCC2)C1 1359312284 QZWHGWRSTIVLIK-KRWDZBQOSA-N 421.542 1.641 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]2C[C@@]21C(=O)NCCN/C(O)=C1\N=CC=CC1=O 1443534621 GTXIYVBMVSFIDV-MZQJAKNZSA-N 404.467 1.419 30 10 HDEE N#Cc1ccccc1NC(=O)CCCC(=O)N1CCc2ccc(S(N)(=O)=O)cc21 1443863963 FJNPYXUFMRFKGC-UHFFFAOYSA-N 412.471 1.904 30 10 HDEE COCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C#N)c(OC)c2)c1 1444417861 OIDSDILTQSDCJR-UHFFFAOYSA-N 403.460 1.422 30 10 HDEE C#CC[C@H](CO)NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1450527490 OTBZRBJDAJHLDH-NVXWUHKLSA-N 401.463 1.579 30 10 HDEE CC[C@H](C)C[C@H](NC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(=O)OC 1452271927 WRDSDQIWEMQNDI-JQFCIGGWSA-N 414.462 1.857 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCc2cc([N+](=O)[O-])c(F)cc2F)cc1 1452389338 VCGAYRSVUFDSRX-UHFFFAOYSA-N 409.370 1.976 30 10 HDEE C#CC[C@@]1(C(=O)N[C@@H](CCC2OCCO2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1455056486 OJAAKQVXPUIAFN-BTYIYWSLSA-N 424.494 1.590 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCC2(CS(C)(=O)=O)CCC2)ccc1F 1460929718 FPFXBRNGVDWUEG-UHFFFAOYSA-N 418.512 1.235 30 10 HDEE CC#CCCCC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1461690418 CDULNNCWCZNOID-UHFFFAOYSA-N 406.527 1.997 30 10 HDEE C#CCC1(NC(=O)CN2C(=O)N[C@@](C)(c3cc(C)ccc3OC)C2=O)CCOCC1 1462841015 QVXSXGZYKSQVCV-NRFANRHFSA-N 413.474 1.459 30 10 HDEE C#CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(-c3nc(C)cs3)cc2)CC1 1463909107 HPIFIASRPADPBH-UHFFFAOYSA-N 418.544 1.174 30 10 HDEE Cc1ccc(C(=O)N[C@@H](C)c2cc3n(n2)CCCC3)cc1S(=O)(=O)NCC#N 1469621421 FKDJBKSTAGHQSZ-AWEZNQCLSA-N 401.492 1.821 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@H]2CC3(CCOCC3)CO2)C1 1469729345 KYSMWUZNYIAMLP-ARFHVFGLSA-N 408.499 1.630 30 10 HDEE C[C@@H]1C[C@]2(CC[C@H](CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)O2)CO1 1469730083 SBGQSCQKVTZETA-PEJGYKSESA-N 408.499 1.771 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NC[C@@]1(O)C[C@H]2C=C[C@H]1C2 1469921172 IBBBTGLXBQJLOG-WLNNIECUSA-N 417.531 1.727 30 10 HDEE C=C(C)C[C@H](NC(=O)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)C(=O)OC 1471123678 GULMSSKYUCXICF-RDJZCZTQSA-N 410.492 1.382 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](O)Cc1ccc(F)cc1 1471898007 JQSDSKUYBWWXQB-MRXNPFEDSA-N 419.478 1.364 30 10 HDEE C#Cc1ccc(NC(=O)CCN2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)cc1 1473286179 FWAFKZOEOAKVDH-IBGZPJMESA-N 417.465 1.994 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1502416936 BATGSTXNXSOWLU-WMLDXEAASA-N 409.494 1.623 30 10 HDEE COCCN1C[C@@H](Cn2c(COc3ccc(C#N)cc3)nnc2N2CCCC2)CC1=O 1504903623 BMSZFSVAOCJJLR-SFHVURJKSA-N 424.505 1.824 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN(C)C(C)C)CC1 1504912805 CEXWELZOYQMZLN-UHFFFAOYSA-N 411.554 1.925 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCOC3)n2CCCCN2CCC[C@@H]2CO)CC1 1505320334 IQDAJXUNDZZVDR-RBUKOAKNSA-N 402.543 1.759 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCNS(=O)(=O)c1ccccc1 1507528515 NNGXTVCAQNSSBY-OAHLLOKOSA-N 411.491 1.172 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1507605450 UCOVHSWSBDVZHK-LPHOPBHVSA-N 410.540 1.213 30 10 HDEE C#CCN(C)c1nnc(-c2cccn2C)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1507608243 MMRGWIVPTVIQBM-SJORKVTESA-N 416.551 1.557 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@](C)(O)c2cccs2)CC1 1507731271 FBLKWJUAOCISLP-DYESRHJHSA-N 415.563 1.897 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2CCOC2)CC1 1507734219 JFTVXCJBIFCEPE-KRWDZBQOSA-N 423.517 1.956 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H]1Cc1ccccc1 1508071621 KWCGSKMHTQBWRR-SFHVURJKSA-N 410.522 1.930 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1508095800 VODBOCPLOIPCTF-KRWDZBQOSA-N 403.527 1.555 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)NC(C)C)C1 1508112736 BXVIEEMCXQMNNE-UZLBHIALSA-N 407.515 1.236 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(C)(=O)=O)CC1 1508154025 SOECOEZTEWLBNA-UHFFFAOYSA-N 410.569 1.611 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccccc2Cl)n1C[C@]1(O)CCS(=O)(=O)C1 1509943031 ARVIFCKPCGHHKM-FZKQIMNGSA-N 423.926 1.886 30 10 HDEE Cc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCN1CCCO[C@@H](C)C1 1511853532 HRDJFRHIFUACDP-HNNXBMFYSA-N 411.510 1.622 30 10 HDEE CN(c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1)[C@H]1CCSC1 1517067586 QVJQCUXZTFOXBA-CVEARBPZSA-N 412.519 1.949 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC[C@H]1COCCO1 1518479375 IQTFJOAGQIIKIQ-ROUUACIJSA-N 413.478 1.412 30 10 HDEE COCc1nocc1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1518835266 YZIUZGCGHMIADB-UHFFFAOYSA-N 421.461 1.701 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)CC3)n2CC[C@@H]2COCCO2)cc1 1521095833 RAYWPAKAXXUNMQ-QGZVFWFLSA-N 401.492 1.191 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCC[S@@](=O)CC(F)(F)F)CC2=O)cc1Cl 1528440979 PIGFYWYBXBQFLD-YBOJIHHZSA-N 421.828 1.992 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3ccc4c(c3)CCC(=O)N4CCCC#N)CC2=O)cn1 1537428937 JEAPUZHHSGGSQM-MRXNPFEDSA-N 420.473 1.995 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(=O)N(C)CC 1538982718 JCTVSRPGPAQHNJ-AWEZNQCLSA-N 403.508 1.285 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC3CC3)n2C[C@]2(O)CCOC2)c1 1539045701 IHSBVBMCWBBTFT-JOCHJYFZSA-N 409.490 1.438 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@]1(O)CCCC1(C)C 1539238535 ZMDYJRROKXABGT-VXKWHMMOSA-N 400.523 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCN1CCc2sccc2C1 1539256934 ATXDFAZTWKWUSX-UHFFFAOYSA-N 405.531 1.871 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CCN1CCCS1(=O)=O 1539376784 GYEVWBFCXFMECP-UHFFFAOYSA-N 417.535 1.395 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1ccc2c(c1)CCCN2C 1539395264 BJWMPMMCXBOBGU-UHFFFAOYSA-N 424.549 1.933 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1539417726 RCPXANJVKJNECC-INIZCTEOSA-N 420.510 1.529 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Cl)n2CCOCCCO)CC1 1539441129 LCLIIFMXKFFMPG-UHFFFAOYSA-N 403.914 1.753 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(O)(CC)CC)CC1 1539462601 JPHSOVHSCVUXSU-ROUUACIJSA-N 405.543 1.308 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2CCOCC2)CC1 1539490036 QZHSXRKUZYQEKW-GOSISDBHSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c(N2CCN3C(=O)CC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1539530736 MOSNMEDJZJFQFY-OXQOHEQNSA-N 419.551 1.108 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)[C@@]2(C)C[C@@H](OC)CN2C(=O)OC(C)(C)C)CC1 1539702375 CPXAOYZKQKEHJU-IIBYNOLFSA-N 407.511 1.389 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(=O)(=O)NC)CC1 1539855987 PPJFBQSZUQGMHG-UHFFFAOYSA-N 416.507 1.434 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ncccc2N(C)C)C1 1540889736 SSJIHCYESJYJLQ-KRWDZBQOSA-N 408.510 1.969 30 10 HDEE CC(C)(C)OCCn1c(CN2CCCC2=O)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1541230696 CNGYBHRNWLIZJD-QGZVFWFLSA-N 415.542 1.392 30 10 HDEE C#CCCN1CCN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1542570009 GJACHWLGWAXYFV-UHFFFAOYSA-N 413.337 1.780 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)n1 1543036866 HWZRXSKKBHDPCT-KRWDZBQOSA-N 417.539 1.314 30 10 HDEE N#C[C@@H](NC(=O)[C@@H]1CCCN(S(N)(=O)=O)C1)c1ccc(OC(F)(F)F)cc1 1545142381 KXQXTBJAIOHKDX-DGCLKSJQSA-N 406.386 1.182 30 10 HDEE N#CCC(=O)N1CCN(C(=O)C[C@H](NC(=O)c2ccc(O)cc2)c2ccccc2)CC1 1545534228 ASDBXUHOVUGTHZ-FQEVSTJZSA-N 420.469 1.838 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCC(=O)N(C)C2CCCCC2)s1 1545783342 NWCNMLXCMGDRTC-UHFFFAOYSA-N 413.565 1.662 30 10 HDEE CCCN(C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1547100461 IDPYVVQHLSPTBB-YJBOKZPZSA-N 411.510 1.910 30 10 HDEE CN(C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCC1 1552810728 FSYAOEVVPGQNMN-QGZVFWFLSA-N 420.583 1.795 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CCC=CO2)cc1 1555989958 BJDRPVRVKRREAU-SFHVURJKSA-N 408.462 1.748 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CC[C@](C)(NC(=O)C(F)(F)F)C3)CC2)o1 1558025078 DKZZXIQTFCUCPB-KRWDZBQOSA-N 413.400 1.741 30 10 HDEE COC(=O)CNC(=O)COc1c(Br)cc(Br)cc1C#N 1559473090 HVNBNFYUWZKLRT-UHFFFAOYSA-N 406.030 1.751 30 10 HDEE C=CC[C@H](Cc1ccccc1)NC(=O)N1CCN(S(=O)(=O)CCCOC)CC1 1564913574 OMSQPBDDVSQAJN-LJQANCHMSA-N 409.552 1.867 30 10 HDEE COCCc1ccc(OC[C@H](O)CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1 1565247702 UOJICUJODZGTPW-LEWJYISDSA-N 409.486 1.953 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 1565346705 WASZYGQKIJOJPC-LBPRGKRZSA-N 402.446 1.486 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@@H](CO)Cc3ccncc3)C2)C1 1567764054 ZJVBHWGSFJBDPH-YHHIVYBXSA-N 414.506 1.888 30 10 HDEE C=CCOC[C@@H](NC(=O)c1csc(CCNC(=O)OC(C)(C)C)n1)C(=O)OC 1568154215 CZNWJKYWNRCGPH-GFCCVEGCSA-N 413.496 1.684 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCc1cn(C)cn1 1570166441 ODWABWDKMPMELX-MRXNPFEDSA-N 403.508 1.376 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@]2(C#N)CCCOC2)C1 1583798197 JMXNOCZBXPVDEM-MGPUTAFESA-N 408.499 1.186 30 10 HDEE Cn1c(=O)c2ccc(C(=O)Nc3ccc(Br)c(C#N)c3)nc2n(C)c1=O 1584021694 FOSSLQDDNUAIMP-UHFFFAOYSA-N 414.219 1.519 30 10 HDEE CON=Cc1ccc(C(=O)NCCNC(=O)c2ccc(Br)cn2)cc1 1584363604 NASRQCAYYYXDSF-UHFFFAOYSA-N 405.252 1.984 30 10 HDEE Cc1ccc(C(=O)NCCCN2CCC[C@H]2C(N)=O)cc1B1OC(C)(C)C(C)(C)O1 1584933167 RXVIFPKCPUJJRJ-SFHVURJKSA-N 415.343 1.364 30 10 HDEE CC(C)(C)OC(=O)[C@@]1(C(=O)NCCn2cc(C#N)c(O)nc2=O)C[C@H]2CC[C@H]1C2 1585296318 RVHWBUPRNYXMCG-SIFORAMQSA-N 402.451 1.085 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)C2)c(F)c1 1587553749 RPAHCMZUWRATDP-VQTJNVASSA-N 423.492 1.936 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCN1CCOCC1(C)C 1587989717 NOIPKLXCDBOXRY-IBGZPJMESA-N 411.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2cccn2)CC1 1588865349 VFSBNMPXEFIZNG-UHFFFAOYSA-N 407.526 1.182 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C2CC2)nnc1N1CCN(CC(=O)N(C)C)CC1 1589529233 MKMCTYBKOOYPPQ-PKOBYXMFSA-N 402.543 1.347 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H]1C[C@H](OCC)C1(C)C 1595466479 JKJOADVMBMQYHH-GJZGRUSLSA-N 406.531 1.358 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCOC[C@H]2OC)C1 1595664517 FUZPXJRYMUGAEO-RCCFBDPRSA-N 419.526 1.347 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1596079657 TUIBNZULWLQUFP-KRWDZBQOSA-N 423.560 1.876 30 10 HDEE C[C@@H]1SCCN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)[C@@H]1C 1613034493 FKKAQBOTXQAGAX-KGLIPLIRSA-N 420.564 1.696 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CC(=O)Nc2cccc(Cl)c2)c1=O 1614780876 GJVYWZCWJWYYTA-UHFFFAOYSA-N 418.837 1.515 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)C#N)CC1 1615884680 FCVMOGRLBVJZAI-GBESFXJTSA-N 403.575 1.999 30 10 HDEE CCO[C@@]1(c2nnc(N3CCS(=O)CC3)n2Cc2ccc(C#N)o2)CCOC1 1616273857 SVDGIMKSBOAFIB-SFHVURJKSA-N 405.480 1.012 30 10 HDEE COC(=O)[C@]1(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC[C@H](C)CC1 1617034764 RDTOPKKPSUOPCS-QUWSVYMGSA-N 407.492 1.730 30 10 HDEE COCC[C@](C)(O)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1619776014 YQHJQWZAOSWYAU-BLIXFSHQSA-N 418.542 1.136 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2CCCn2cccn2)CCO1 1620355684 XIFOZFGYEVLNGH-QGZVFWFLSA-N 408.422 1.869 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(C#N)cc1Br 1620485806 NLKVQGVWBIMTQU-CYBMUJFWSA-N 401.282 1.483 30 10 HDEE C=CC1(CC(=O)NCc2cccc(OCC(N)=O)c2)CN(C(=O)OC(C)(C)C)C1 1620739605 BFZMYEOXHNIITL-UHFFFAOYSA-N 403.479 1.980 30 10 HDEE C#CCC1(NS(=O)(=O)c2cc(Cl)cc(C(=O)N(C)C)c2OC)CCOCC1 1622582027 FDSWAURQOLKERN-UHFFFAOYSA-N 414.911 1.901 30 10 HDEE C#CCOc1ccc(CNC(=O)Nc2cc(C)nn2[C@@H]2CCS(=O)(=O)C2)cc1 1622783531 OFJIJMNOFQRKFL-MRXNPFEDSA-N 402.476 1.885 30 10 HDEE C=CCn1cc(C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N2CCOCC2)nn1 1624952657 MGWUBJARVKQGLF-KRWDZBQOSA-N 401.467 1.285 30 10 HDEE C=CCN(C(=O)c1cc(-c2ccc(OC)cc2OC)[nH]n1)[C@@H]1CCS(=O)(=O)C1 1626456564 OWCILAXSOYGWJE-CYBMUJFWSA-N 405.476 1.909 30 10 HDEE C=CCNc1ncc(C(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)s1 1626947218 BHBZNHKMQGVZHA-SFHVURJKSA-N 401.448 1.862 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2[nH]nc3c2c(CC)nn3C)s1 1627726373 MDZQMMSNHGPARA-UHFFFAOYSA-N 408.509 1.566 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)CNS(=O)(=O)c3cccnc3)CC2)c1 1628141599 CVFFDADWIIEMSX-UHFFFAOYSA-N 413.503 1.012 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](c2nccn2C)C(C)(C)CO)cc1 1631195409 MYQYJIBUNVSKSN-MRXNPFEDSA-N 406.508 1.374 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@@H]1CSC(c2ccccc2O)=N1 1636270358 DXLOWRCUIIXPRL-BBRMVZONSA-N 408.487 1.653 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 1637730129 DTBOVFIYIWEWDG-XGHQBKJUSA-N 411.543 1.578 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCc1ccc(C#N)cn1 1638376729 RKTXYJJFYCAQTH-AQNFWKISSA-N 406.364 1.555 30 10 HDEE CCC1(N2CCC2)CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1638556714 FCKKJXXRYFCTNT-INIZCTEOSA-N 418.563 1.981 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CS(=O)(=O)C[C@H]3C(F)(F)F)CC2)c1C#N 1641801442 AMUWTRXQQPUXKA-VXGBXAGGSA-N 422.454 1.195 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC2(CC(=O)OCC)CCOCC2)c1 1642261711 HZADYCUCDIJILL-UHFFFAOYSA-N 410.492 1.383 30 10 HDEE C=C(C)CONC(=O)[C@H]1CC(=O)N(c2ccc(S(=O)(=O)N(CC)CC)cc2)C1 1644315743 PDDWDTRVJOHKEI-HNNXBMFYSA-N 409.508 1.694 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(NC(=O)CN3CCC[C@H](C#N)C3)cc2)C[C@@H](C)O1 1644439590 GLOFDXAHNYLEBA-IXDOHACOSA-N 420.535 1.659 30 10 HDEE C=CCCONC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1647929283 XWETXZYBALSICD-UHFFFAOYSA-N 422.507 1.151 30 10 HDEE C#CCN(CC(=O)NC1(C(=O)N2CCOCC2)CCCCC1)C(=O)OC(C)(C)C 1647974132 WSAPUQRNOJWEMI-UHFFFAOYSA-N 407.511 1.535 30 10 HDEE CN(C(=O)CN1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1)C1CCCCC1 1653317344 VZWDZZWKZBZDJE-HXUWFJFHSA-N 406.571 1.466 30 10 HDEE COC(=O)[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)C[C@H]1C(=O)OC 1655079661 KNOMCRPMWZZBHK-IAOVAPTHSA-N 405.426 1.355 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)[C@H]1CCC[C@@H]1C#N 1655297443 XOVKSRPSASJOSI-PBHICJAKSA-N 403.508 1.720 30 10 HDEE C[C@@H](NC(=O)[C@@H](C)N(C)CCc1cccc(C#N)c1)c1ccc(S(N)(=O)=O)cc1 1655381444 OUVKEQSCJRAJNA-HZPDHXFCSA-N 414.531 1.946 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NCCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C 1658716438 DLXXOLBNHQQWPG-CABCVRRESA-N 402.538 1.034 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1661950675 CJMZVDPHJUWAHW-LLVKDONJSA-N 403.298 1.939 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2)C(=O)OC 1663038253 XGUJQGMLDSCGCK-AWEZNQCLSA-N 416.883 1.272 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCCNC(=O)NC2CCCCC2)c1 1663208518 VNVMQOIBQAECBC-UHFFFAOYSA-N 408.524 1.513 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C(=O)OCC)O2)C(=O)OCC 1669268375 YSBVDLJJGRQFLB-WBVHZDCISA-N 411.476 1.729 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(Br)c(C#N)cc2F)CC1 1671635281 UHLDDQBKQCCWBG-UHFFFAOYSA-N 400.273 1.836 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCCO2)cn1 1681434441 OFOHSORKJWFRNO-DKICVRJWSA-N 418.498 1.484 30 10 HDEE C#CCCCn1c(N2C[C@@H](N3CCN(C(C)=O)CC3)[C@H](C)C2)nnc1C(C)(C)C 1689941520 QWUBBAYWEADHRT-IEBWSBKVSA-N 400.571 1.978 30 10 HDEE C#CCN(c1nnc(CC)n1CC1CCN(C2CC2)CC1)[C@H]1CCS(=O)(=O)C1 1689992808 PAIUDKUZWYYLIH-SFHVURJKSA-N 405.568 1.342 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1690077384 NMHOYVCIDFCEIX-INIZCTEOSA-N 423.539 1.118 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC(=O)N(CCOC)C1 1690261746 YMKPZCXRGJVRCZ-MRXNPFEDSA-N 401.515 1.576 30 10 HDEE C=CCCCn1c(N2CCO[C@@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1690496347 OURKYRMIQNRBCT-NQIIRXRSSA-N 416.526 1.998 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)CCCS(C)(=O)=O 1690666592 ADWBNZVHAKAJGN-UHFFFAOYSA-N 405.524 1.427 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccsc2)CC1 1690669933 SOZBZIAYQMPFAK-UHFFFAOYSA-N 414.535 1.872 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC2(CCC2)C[C@@H]1CC 1690671409 VLWMCAJJSFVMGV-HOTGVXAUSA-N 421.567 1.641 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC[C@H](CNC(C)=O)C2)nnc1C(C)(C)C 1690731640 PCLFMLZDJYJZRF-MRXNPFEDSA-N 411.572 1.529 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)C[C@H](C)C#N)n1Cc1nncn1-c1ccccc1 1690993132 FSKWSQWHEPIATJ-OAHLLOKOSA-N 407.482 1.641 30 10 HDEE CC(C)[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1691545844 GTYMCZXGQGICRW-NPPFBWRTSA-N 408.506 1.939 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@@]1(C)CN(C)C1=O 1694734171 KQVNDZQWXITESR-OAQYLSRUSA-N 411.485 1.656 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCOCCC=C)[C@H]1CCS(=O)(=O)C1 1705564827 QMHCOIJFQHAFOF-SFHVURJKSA-N 415.519 1.560 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CCCC(C)C)[C@H]1CCS(=O)(=O)C1 1705566321 NCSKSTFDSCDNRC-JKSUJKDBSA-N 407.540 1.292 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccsc2)CC1 1705649119 KUNJYBJTONTCJL-UHFFFAOYSA-N 409.519 1.754 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCC[C@@H]1NC(=O)NC1=O 1705676009 JIWGZPIXVBMBKA-HRAATJIYSA-N 407.478 1.244 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC(OCC)C2)CC1 1705775571 FBNBKAFYVNJMNG-UHFFFAOYSA-N 403.527 1.847 30 10 HDEE C=CCC(C)(C)Cn1c(COCC)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1705802320 HUZVCKIHBLTUJD-HNNXBMFYSA-N 404.515 1.890 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC(=O)NCC(F)(F)F 1705838145 DVENNVGKZADAIW-UHFFFAOYSA-N 421.387 1.222 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)OC[C@H]2C1 1705895334 BYLLDLVJYLSQTJ-OAHLLOKOSA-N 416.869 1.542 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@@H](OCC)C2)nnc1[C@]1(OCC)CCOC1 1705909230 QNXUYTNAYIPJIB-UZLBHIALSA-N 407.515 1.238 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](OC)C2CC2)C1 1705925859 VKDCNEMWVCMRBB-GVDBMIGSSA-N 410.540 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(=C)CC1 1705930742 UZGNVMVTYQOUKD-UHFFFAOYSA-N 416.507 1.683 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1705935684 AICYVVKRUHDVQL-KRWDZBQOSA-N 419.555 1.970 30 10 HDEE CC(=O)N1CCC[C@@H](Cn2c(Cc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)C1 1705973351 HJVDQGDAVVHQJS-MJGOQNOKSA-N 409.494 1.251 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCO2)n1CCC[C@@H]1NC(=O)NC1=O 1712887504 JIAIKCQPINSREJ-LSDHHAIUSA-N 401.471 1.248 30 10 HDEE C#CCN(c1nnc(C)n1C[C@]1(C)OCCc2sccc21)[C@H]1CCS(=O)(=O)C1 1722364624 MCAKMEXHBSXLDY-KXBFYZLASA-N 420.560 1.763 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](SC)C(C)(C)C)CC1 1722442359 YTZHSJYWAMHLHE-QGZVFWFLSA-N 418.611 1.933 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1CCCC1 1722672259 NDSFVNXISTYULU-KRWDZBQOSA-N 409.556 1.980 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2CCOC[C@H]2C1 1722726015 WXLBVSHHJYMKNG-GOSISDBHSA-N 417.535 1.067 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CC[C@]2(CCOC2)O1 1722868888 FEWDBRGTOFFPBI-GQIGUUNPSA-N 402.499 1.334 30 10 HDEE CC(C)(C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCCCN1CCOCC1 1722909394 JBCMQIZGXNAHNA-LJQANCHMSA-N 415.586 1.865 30 10 HDEE C[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1)N(C)C 1723827292 MLPYVPQTOVFPEE-ZDUSSCGKSA-N 407.482 1.164 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](n2cncn2)C1 1728258509 RLDSKGVPVWZBBF-SFHVURJKSA-N 419.493 1.728 30 10 HDEE CCS(=O)(=O)NCCCn1c(Nc2ccn(C)n2)nnc1-c1cccc(C#N)c1 1729223481 UUXLQRWQMANQOL-UHFFFAOYSA-N 414.495 1.623 30 10 HDEE COCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1730717440 GRDXTKNUNSXWOH-CZIZESTLSA-N 421.461 1.426 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1CCn1cc([C@@H]2CCOC2)cn1 1740598551 UQYCBCBPEXCPGC-MRXNPFEDSA-N 413.526 1.667 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCN1CCOC[C@H]1C 1740603334 OLYDNAVUKWOTHV-MRXNPFEDSA-N 417.535 1.139 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCCCC1 1740605076 MQWAKCCAVBVCLW-UHFFFAOYSA-N 405.510 1.866 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1CCc1nccc(C(F)(F)F)n1 1740637981 JIAIGEGESMAWDV-CQSZACIVSA-N 404.396 1.906 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c[nH]c3ccccc23)n1CCS(=O)(=O)N(C)C 1740644026 YJVQLJVPSUMYCW-UHFFFAOYSA-N 424.530 1.314 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)C)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1740646241 UATAGVCWBUKING-UHFFFAOYSA-N 406.490 1.128 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1Cc1nnnn1CC1CC1 1740651286 FHMAQIVTGWTNAU-UHFFFAOYSA-N 411.473 1.724 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1740691780 NBUZMCQLZNZHBW-LEWJYISDSA-N 420.517 1.623 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1740710414 WWDKFOZHQWNSSF-INIZCTEOSA-N 406.556 1.087 30 10 HDEE C=CCn1c([C@@H]2CCCCO2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1740947439 ZDXGQVCCUQZVGJ-SFHVURJKSA-N 402.543 1.840 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1740954412 LRILYOJRRSEJMG-FOIQADDNSA-N 401.467 1.533 30 10 HDEE CN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](N2CCCCC2)C1 1747540636 GMGAXEAVTICICI-LJQANCHMSA-N 407.522 1.970 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1748766358 NYWVOHLGOTXHMT-DOTOQJQBSA-N 404.540 1.261 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccsc1)N(C)C 1748766526 RXEYTSYHKJIVSJ-DZGCQCFKSA-N 410.569 1.322 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](c1ccco1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748817436 KTKGYAODZXYBKQ-CVEARBPZSA-N 405.524 1.363 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CCS(=O)(=O)CC 1748867965 PHFNKUHEIOVVHH-FQEVSTJZSA-N 422.551 1.216 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCC2(O)CCOCC2)CC1 1748987260 QVHQCDUKOWHNHH-UHFFFAOYSA-N 410.522 1.335 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCOC2)CC1 1749005440 WHDLVIZLSMALEE-IAGOWNOFSA-N 419.526 1.004 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(CC(=O)N[C@H](C)CC)CC1 1749033182 AATMMXHMABZKHM-MRXNPFEDSA-N 404.584 1.559 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(CCOC)C(=O)C1 1749132136 YWWWYKFKKHTFGO-YLJYHZDGSA-N 405.543 1.753 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C 1749402286 LIQITCCNXCDXGU-HZPDHXFCSA-N 413.544 1.192 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 1749651400 VBHTUPYBKVBWMY-UHFFFAOYSA-N 410.478 1.436 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C)[C@@H]1C 1749658278 MQNDVUYDHBFIHB-CABCVRRESA-N 407.482 1.458 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1 1749724506 KCCYKOZWCNZJMV-UKRRQHHQSA-N 422.463 1.561 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1 1749730532 HPTUTDPBHVVEGN-GOSISDBHSA-N 401.496 1.466 30 10 HDEE C#CCCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCN(S(C)(=O)=O)CC1 1760150153 KVJJWYZCCFRTLJ-UHFFFAOYSA-N 417.491 1.169 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1C[C@@H]1CCS(=O)(=O)C1 1760221075 ISIPJMMFRKIIRB-KRWDZBQOSA-N 402.545 1.828 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC(=O)N1 1760240661 YEWSKJJRDNWOEU-QGZVFWFLSA-N 412.469 1.474 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2CC(=O)N(C)C)CC1 1760269719 CFGCVHAYEKQKGD-UHFFFAOYSA-N 422.533 1.231 30 10 HDEE C#CCSCCn1c(N2CCN(C3CC3)C(=O)C2)nnc1[C@@]1(OCC)CCOC1 1760286708 SDZOPHUOPKSMGM-HXUWFJFHSA-N 419.551 1.108 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760335433 MTWAOLSYQPGRDJ-MKSNKDDYSA-N 416.526 1.302 30 10 HDEE C=CCN(CCOC)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1cnnn1C 1760504210 XFYSSAQJTFCGHB-UHFFFAOYSA-N 421.465 1.410 30 10 HDEE C=CCn1c(N2CCC(C(=O)N3CCOCC3)CC2)nnc1[C@]1(OCC)CCOC1 1760513165 NEXPBSAUDLXXBT-NRFANRHFSA-N 419.526 1.191 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C2CCOCC2)CC1 1760562417 JDEJWWXNJUWSFW-UHFFFAOYSA-N 417.583 1.899 30 10 HDEE CCc1nnc(N(C)Cc2cnc(C)s2)n1CCN/C(O)=C1\N=CC=CC1=O 1764724156 ZLKOONYPOAWBPC-WUKNDPDISA-N 401.496 1.768 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)C1CC1 1768930992 GWXMQHHDFFSBMY-QGZVFWFLSA-N 410.478 1.132 30 10 HDEE CN1CC[C@](O)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)Cc2cscn2)C1 1769058969 ANSVQEPRAULFKU-HXUWFJFHSA-N 409.519 1.976 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOc2cccc(F)c2)C1 1770727185 CWJGUAJFDJCLMC-BEFAXECRSA-N 402.405 1.889 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccncc3)n2Cc2ccc(C(N)=O)cc2)CCO1 1770751230 CVGMSPXMNJIWMS-GOSISDBHSA-N 403.446 1.140 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@H]1C(=O)NCC#CCN1CCCCC1 1849996202 FDTLOUWXAZYPMA-KRWDZBQOSA-N 408.524 1.050 30 10 HDEE CC(C)N(CC#CCNC(=O)[C@@H](C)N1C(=O)c2ccccc2S1(=O)=O)C(C)C 1850284121 UUPCTDAAIHQFJT-MRXNPFEDSA-N 405.520 1.458 30 10 HDEE CC1=CC(C)=NS(=O)(=O)N1CC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1851219362 PYDZIAGRAKRMCK-UHFFFAOYSA-N 421.910 1.785 30 10 HDEE Cc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1C#N 1851320967 NKQUTALMCBEWSG-GFCCVEGCSA-N 404.414 1.914 30 10 HDEE CS(=O)(=O)c1ccc(CCCNC(=O)Cc2cc3c(cc2C#N)OCO3)cc1 1851469314 IKZQDBWWPVITQV-UHFFFAOYSA-N 400.456 1.982 30 10 HDEE Cn1cc(Cl)c(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)n1 1852366954 AHWKJIXJEHSWKI-INIZCTEOSA-N 404.854 1.882 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)[C@H]1C 1854256399 NNTQVGKZTXWOLF-WBVHZDCISA-N 423.510 1.614 30 10 HDEE CN(CCC#N)[C@@H]1CCCN(C(=O)CCCS(=O)(=O)Cc2ccccc2)C1=O 1854300144 MWVLFQZURLNSEO-GOSISDBHSA-N 405.520 1.745 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2c2ccccn2)C(=O)C12CCCC2 1854415522 DXVUOGNAULQUIP-GJZGRUSLSA-N 402.476 1.022 30 10 HDEE C[C@H](CCC#N)N1CC[C@H](N2CCN(C(=O)c3ccc4ncccc4n3)C(=O)C2)C1 1854940524 DWNJPFLAPMMINW-SJORKVTESA-N 406.490 1.681 30 10 HDEE C[C@@H](CCC#N)N1CC[C@H](N2CCN(C(=O)CSc3ccncc3)C(=O)C2)C1 1854956414 MOGAXIJWXGSCRZ-IRXDYDNUSA-N 401.536 1.611 30 10 HDEE N#Cc1ccc(OC2CCN([C@@H]3CCCN(C(=O)Cn4cccn4)C3=O)CC2)cc1 1855156898 AWMAAOBQGPWIPG-HXUWFJFHSA-N 407.474 1.816 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)C(=O)C12CCCC2 1856281541 KGSDCDDCADRRMT-INIZCTEOSA-N 417.487 1.410 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@H]3COc4ccccc4O3)C(=O)C2)cc1 1856349970 HTWLJMWVGKTXEQ-HXUWFJFHSA-N 407.426 1.448 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCN(C(=O)CC4CC(=O)C4)C3=O)CC2)c1 1857008735 HIBWDPMGGJIFHG-LJQANCHMSA-N 410.474 1.541 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@@H]3CCN(CC4CC(F)(F)C4)C3)CC2=O)cc1 1857321048 SYZQWFRUEGEMAH-LJQANCHMSA-N 416.472 1.891 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)c1cc(-c2ccc(F)c(F)c2)[nH]n1 1867095379 VYQCIOIAZWLRFU-SFHVURJKSA-N 411.368 1.956 30 10 HDEE Cc1cc(C(=O)N[C@@H](CO)C(=O)Nc2cccc(C#N)c2)nn1-c1ccccc1F 1867174308 YSVVEOOMEDKTCU-SFHVURJKSA-N 407.405 1.921 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(C/C=C/c2ccccc2)CC1 1870666677 XDBSQLGQLDAMTH-RMKNXTFCSA-N 422.529 1.729 30 10 HDEE C=CCn1c(C(=O)NCCN2C(=O)CSC2=O)cc2c(N3CCCC3)ncnc21 1873596363 SYPVGNXFJXAERU-UHFFFAOYSA-N 414.491 1.643 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCCCO)n2/N=C/c2ccc(O)c(O)c2)CC1=O 1874341688 PXDQFKZBKPJRMH-ANKPHQHTSA-N 419.507 1.770 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC(C(=O)ON2C(=O)c3ccccc3C2=O)CC1 1882599017 LQXLAZYHOHLOKQ-UHFFFAOYSA-N 417.462 1.978 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C1)C[C@](NCC#CBr)(C(=O)O)CS2 1904521995 MGPUEMNJNLPFSF-OAHLLOKOSA-N 405.314 1.882 30 10 HDEE CN(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 1985193473 DWFDYKAPPAAIOC-OALUTQOASA-N 415.538 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2118167203 AMCAPXSKFNQCIW-XELLLNAOSA-N 406.530 1.041 30 10 HDEE C[C@@H](C1CC1)N(CCC#N)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2181052178 CZNSRJYCHUEQQQ-DZGCQCFKSA-N 401.529 1.855 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CNc1cnn(CC(=O)OC)c(=O)c1Cl 2197001227 WVOSPQQWSUNHFT-UHFFFAOYSA-N 400.863 1.953 30 10 HDEE COC[C@H](C)S(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206345983 FCBKAPMPXYXLRU-LBPRGKRZSA-N 401.359 1.770 30 10 HDEE C=CCC1(NC(=O)c2nn(C)nc2Br)CN(C(=O)OC(C)(C)C)C1 2214374725 ZWZAPYMFQOCLAJ-UHFFFAOYSA-N 400.277 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC(N2CC(C(=O)ON3C(=O)c4ccccc4C3=O)C2)C1 2241582020 XNKREPWISMQUHO-UHFFFAOYSA-N 401.419 1.292 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CO)CNc1ncc(B2OC(C)(C)C(C)(C)O2)cc1F 2243755935 PSWQWUJGWVVTFR-ZDUSSCGKSA-N 411.283 1.817 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1[C@@H]2CN(C(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)C[C@@H]21 2247819432 GQAMZRIRBHWAPT-WDNDVIMCSA-N 418.303 1.304 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3[C@@H]4CN(Cc5ccccc5)C[C@@H]43)[nH]n2)OC1(C)C 2247827054 DPNMCIGLYIITQP-MNZLEMJZSA-N 408.311 1.569 30 10 HDEE C=CCN([C@H](C)COC)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258168749 DYFABYVADUGIMQ-ZBFHGGJFSA-N 414.480 1.219 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCC2(CC1)OCCO2 2281824475 LDEBJODWXJKKQV-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CS4(=O)=O)sc2Cl)OC1(C)C 2281976788 GSHJWBKVKWEREQ-VHSXEESVSA-N 417.745 1.712 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N=S3(=O)CCOCC3)c(Cl)c2)OC1(C)C 2282006397 VQRUBUOMEHQZKD-UHFFFAOYSA-N 400.693 1.673 30 10 HDEE CC1(C)OB(c2nscc2C(=O)NCCS(=O)(=O)C(F)(F)F)OC1(C)C 2282011636 LGFTVLVRQLTQPL-UHFFFAOYSA-N 414.236 1.107 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1)C(N)=O 2282306102 IRCUDUMOPJUDFZ-NSHDSACASA-N 422.765 1.489 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCN1CCCO1 2282311885 OKKZGIDMZRINOQ-UHFFFAOYSA-N 402.347 1.271 30 10 HDEE CC1(C)CC(CO)(NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282334191 YJKDYEICCFCNPY-UHFFFAOYSA-N 401.359 1.877 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC[C@H]1CO 2282351223 YCHDZVDXNXGQIQ-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCCCCCN)OC1(C)C 2282507854 NBIRCRSZVXUSGC-UHFFFAOYSA-N 403.379 1.381 30 10 HDEE CC1(C)OC[C@H](NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)[C@@H]1O 2282617604 KWGKLLISZRPHSZ-JQWIXIFHSA-N 401.721 1.969 30 10 HDEE COC1(CCN)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282620882 KZYPWCZWAKXACI-UHFFFAOYSA-N 400.737 1.891 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282835836 YVYUMWSHPYMXPF-VWLOTQADSA-N 422.765 1.902 30 10 HDEE CN1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)[C@H]2C[C@H]21 2282839773 AGMLOBRLRJCSJM-NEPJUHHUSA-N 418.777 1.778 30 10 HDEE CCCOC1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282871205 CSXAHBMRXAGLMJ-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE C[C@@H]1C[C@@H](C(=O)O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284397055 HUKHCKINVYEXEH-PWSUYJOCSA-N 401.315 1.531 30 10 HDEE CC1(C)[C@@H](NS(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)[C@H]1C(=O)O 2284398864 CSKXDDUUKYPNJQ-QWRGUYRKSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)NC[C@@H]2CC[C@H]2N)OC1(C)C 2287585406 UOOZYZJTYPNBPA-SMDDNHRTSA-N 400.737 1.655 30 10 HDEE C=CCN1C(=O)NC(=O)C(=C(CC)Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 2296940839 WSULMUKHBYXBPV-UHFFFAOYSA-N 409.446 1.825 30 10 HDEE CC#CCN(CC(=O)NCCn1cc(Br)nn1)C(=O)OC(C)(C)C 2300611907 CJOHUJXUHZJGEN-UHFFFAOYSA-N 400.277 1.417 30 10 HDEE C[C@H](C#N)S(=O)(=O)N(C)Cc1c(Br)c(Br)nn1C 2316989440 KRZMGYFZNDMPBD-ZCFIWIBFSA-N 400.096 1.619 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2365208626 SSXDKWIISYTOPT-BEFAXECRSA-N 402.557 1.409 30 10 HDEE CCCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)C[C@@H](C)NC(=O)OC(C)(C)C 2365212521 RYZHYWPYCYLGBZ-BZUAXINKSA-N 404.573 1.845 30 10 HDEE CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365241314 OLNKYLJGEWXLLW-UONOGXRCSA-N 405.513 1.834 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1cncs1)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367786580 IDHRLDWJUAHJNA-HUUCEWRRSA-N 413.565 1.877 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H](COC)NC(=O)OC(C)(C)C 2367802988 GVNMOHUMSOPLKE-HZPDHXFCSA-N 402.557 1.865 30 10 HDEE C#CCNC(=O)CN[C@](C)(C(=O)O)c1cc(Br)c(Br)s1 2376700689 AGYVEGRTPHVYFN-LBPRGKRZSA-N 424.114 1.912 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(C[C@H](O)COc2ccccc2C(C)C)c1=O 31584721 RTAXZQJLNFKEQI-INIZCTEOSA-N 401.463 1.107 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](COC[C@H](O)CO)OC[C@H](O)CO 100047917 XFDRHYXXXLBRDQ-AQNXPRMDSA-N 422.559 1.559 30 10 HDEE Cc1ccc(S(=O)(=O)O[C@@H]2[C@H]3OC[C@@H](O3)[C@H](N[C@H](C)c3ccccc3)[C@@H]2O)cc1 245380641 DXIMAQSOGTXDBC-HQHFYQKISA-N 419.499 1.904 30 10 HDEE CN(C)CCOc1ccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 410378754 NJPLQXVVMFOTSL-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE COCCNc1ccc(S(C)(=O)=O)cc1NS(=O)(=O)c1cnc(C)c(C#N)c1 427240922 GEOMGHMFMQOEIL-UHFFFAOYSA-N 424.504 1.524 30 10 HDEE CS(=O)(=O)N1CCc2c(NC(=O)C(=O)NCC3CCC(C#N)CC3)cccc21 443325722 HWMLCASGMNFOIR-UHFFFAOYSA-N 404.492 1.393 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)cc2C1=O 460424639 VCLUWXYURRUOKW-INIZCTEOSA-N 407.430 1.128 30 10 HDEE CN(C)c1nccc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3C#N)CC2)n1 462344665 DAFUQXYNKVCIHQ-UHFFFAOYSA-N 406.899 1.579 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1cnn(-c2ccncc2)c1C(F)F 469055884 URCVCSLHZCBAIA-UHFFFAOYSA-N 404.421 1.893 30 10 HDEE CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 477982787 INQCTWVXPYJEOQ-UHFFFAOYSA-N 423.473 1.832 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)n1 479043130 LTDJXPJJBUMKDY-IBGZPJMESA-N 422.464 1.725 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)Nc3cccc(C(=O)NCCC(N)=O)c3)cc2C1=O 484002137 DNDKYRDPXHEYQA-UHFFFAOYSA-N 420.425 1.326 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 504634583 HBOBMIWFCGWANB-DOMZBBRYSA-N 420.470 1.722 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)N3CCN(c4cccnn4)CC3)CC2)nc1 511409583 DMTLCRWVOBFNQH-UHFFFAOYSA-N 407.478 1.965 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@@H](O)C2CCOCC2)CC1 536608934 QYICRYRKMQCVQH-ROUUACIJSA-N 422.323 1.945 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCN(c2cccc(C#N)n2)CC1 544880709 LYUJFKHCHRETBQ-SFHVURJKSA-N 420.517 1.518 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cccc(C#N)n3)CC2)C(=O)N1c1ccccc1 546219858 MCAFKXXLQNYMIX-VQIMIIECSA-N 404.474 1.979 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](CN2CCCCC2)C(=O)O)c1 547892089 WLCRBKDOFOFXCM-CQSZACIVSA-N 416.297 1.538 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCNCCCN2C(=O)NC3(CCCCC3)C2=O)c1 558718491 STFSSACPGZNSSS-UHFFFAOYSA-N 418.519 1.566 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCc3ccnc(OC(F)F)c3)CC2)c1C#N 576366386 DTIZVSRAVFDMPI-UHFFFAOYSA-N 405.409 1.628 30 10 HDEE CC(C)Oc1ccc(NC(=O)C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)cc1C#N 584007365 SSVIOPWOMFYVGQ-BEFAXECRSA-N 415.490 1.968 30 10 HDEE N#Cc1cccnc1OCC1CCN(C(=O)[C@H]2CC(=O)N(C3CCOCC3)C2)CC1 585530797 OPKIYWPGEKGEHO-SFHVURJKSA-N 412.490 1.598 30 10 HDEE CNS(=O)(=O)c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)ccc1C 603650658 GUKZRUUTLXPZBM-UHFFFAOYSA-N 414.491 1.524 30 10 HDEE CN(C)S(=O)(=O)c1ccc(OCCN2CCN(c3ncccc3C#N)CC2)cc1 619510229 HSCBSSZJLJNGSK-UHFFFAOYSA-N 415.519 1.405 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCN3C(=O)N(CC)C(=O)[C@H]3C2)c(OC)c1 674469168 CJBGVFFYKVLMNV-DLBZAZTESA-N 403.479 1.132 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccn(Cc3ccc(C)cc3)c2=O)CC1 677205337 VIRZRCVCWFZIGT-UHFFFAOYSA-N 423.517 1.657 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)Nc3cccc(C#N)c3)ncnc1-2 729494419 QLJBHHQMRSGALH-UHFFFAOYSA-N 415.255 1.605 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCS(=O)(=O)N1CCSCC1 730500610 RGDTUBSYTLAMSS-UHFFFAOYSA-N 408.505 1.359 30 10 HDEE C[C@@H]1CN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)C[C@@H](C)O1 731904650 NXCJKKXGOCHEIR-ZIAGYGMSSA-N 401.492 1.826 30 10 HDEE N#C[C@@H]1CN(C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CCN1C1CC1 732677269 XDHCKQZKPHZYHL-MRXNPFEDSA-N 402.499 1.013 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCN1C1CC1 732708484 QJTXIWUMGJWARH-IBGZPJMESA-N 409.490 1.450 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccccc2CC(=O)OCC)c1 733785077 QGGPVQLFPXUGMH-UHFFFAOYSA-N 400.456 1.956 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 734293326 QRMAHTOMFHKBSL-UHFFFAOYSA-N 407.473 1.236 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(C#N)cc1 740182839 GCRAXNIZLMZNLF-KRWDZBQOSA-N 402.428 1.880 30 10 HDEE C[C@H](CC(=O)NCc1ccc(CO)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 743320386 YGGFJMJRZIIMLB-GFCCVEGCSA-N 405.451 1.452 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 749529191 FKLJKLHZHLFIRF-UHFFFAOYSA-N 412.515 1.923 30 10 HDEE C[C@@H](C#N)CN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CC1 754370617 DZWTZUVUIJSKQP-AWEZNQCLSA-N 403.508 1.720 30 10 HDEE CN1C(=O)N(CC(=O)NS(=O)(=O)CC2(C#N)CCCCC2)C(=O)C12CCCCC2 760400250 IGTWWECRGNOURE-UHFFFAOYSA-N 424.523 1.503 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2c2ncccn2)cc1 765965083 CKDDLHFTQLXPEU-SZMVWBNQSA-N 411.487 1.991 30 10 HDEE CN(C(=O)COC(=O)c1c(C(F)(F)F)nn(CCO)c1C(F)F)C(C)(C)C#N 768052234 WLFXLRBGBZHHPT-UHFFFAOYSA-N 412.315 1.749 30 10 HDEE C#CCN(C(=O)Nc1ccc(S(=O)(=O)NC(C)C)cc1)[C@@H]1CCS(=O)(=O)C1 774025412 RTLPKBGNOHAXTQ-OAHLLOKOSA-N 413.521 1.028 30 10 HDEE CNC(=O)CC(=O)OCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 776282601 BEPZLYNYNYJVTI-UHFFFAOYSA-N 400.410 1.782 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(C#N)cc3)cc2F)CC1 777294011 VVWARTFDEVVAFZ-UHFFFAOYSA-N 416.478 1.958 30 10 HDEE COc1cc(OC)c(OC)cc1CNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1 780213444 GXAJSZUYSPDCFV-FQEVSTJZSA-N 414.414 1.477 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2C)N(CCC2CS(=O)(=O)C2)C1=O 786683577 PHCFMIADCLHNFZ-MRXNPFEDSA-N 423.560 1.806 30 10 HDEE C#CCn1ccc(CN(CCOC)Cc2ccc(S(=O)(=O)N3CCCC3)o2)n1 789322286 GZJRYXFRVBBUFE-UHFFFAOYSA-N 406.508 1.542 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccnn2-c2ccccc2)c(=O)n1CCc1ccccn1 790360063 CLUVQFKLVQCLJX-UHFFFAOYSA-N 424.489 1.760 30 10 HDEE C#CCN(C(=O)CCCS(=O)(=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 795470767 ZEVHXADSMRDZTH-HNNXBMFYSA-N 417.936 1.543 30 10 HDEE C=CCOC[C@@H](NC(=O)c1n[nH]c2c1CN(C(=O)OC(C)(C)C)CC2)C(=O)OC 796453935 BOVKTMAOYGXJJU-CQSZACIVSA-N 408.455 1.177 30 10 HDEE COc1cc(N2CCN(C(=O)[C@@H](C)n3cnc(C#N)n3)CC2)cc(OC)c1OC 798497438 NZHDCFVSOAMGCO-CYBMUJFWSA-N 400.439 1.085 30 10 HDEE C[C@H](C(=O)NCCF)N1C(=O)[C@@H](CC(=O)NC2CC2)SC1=Nc1ccc(F)cc1 799859304 OOUYQKNJEWJJEB-IAQYHMDHSA-N 424.473 1.900 30 10 HDEE C=CCn1c(CNC(=O)OCc2ccccc2)nnc1N1CCCN(C(C)=O)CC1 809907531 NUCQABPASPQPCF-UHFFFAOYSA-N 412.494 1.949 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCN(C(=O)c3ccccc3)CC2)n1CC=C 809915113 JXPMBCHXSNQMBZ-UHFFFAOYSA-N 402.502 1.495 30 10 HDEE O=C(CSc1n[nH]c(NN=Cc2cccc(Br)c2)n1)Nc1nc[nH]n1 1084324301 PDFXIJFMJZSRRZ-UHFFFAOYSA-N 422.272 1.862 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1nc(F)ccc1Br 1127219535 CSDKKCWAEWHDIR-SNVBAGLBSA-N 405.231 1.996 30 10 HDEE COC[C@@](C)(C#N)NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1127360510 CHYDFKDNYCVMAD-QGZVFWFLSA-N 407.268 1.565 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@]2(CCOC2)O1 1128314388 BFHHTKBCJKKXQS-WAWZGNHOSA-N 403.866 1.971 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H](CCC(C)(C)C)C(=O)OC(C)(C)C)C1=O 1129125254 ZAVUNYYGMMCVBH-ZDUSSCGKSA-N 409.483 1.616 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1131309383 LGJDADMOXYHDDE-KUHUBIRLSA-N 403.460 1.386 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)[S@@](=O)[C@H](CC)C2)s1 1140457057 KXKGZOUQSRIURG-CVDOSRGISA-N 404.579 1.513 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](C#N)c1ccc(F)cc1 1141303986 IQTPUXUVJDJVDT-GJZGRUSLSA-N 413.471 1.835 30 10 HDEE C#CC[C@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C(=O)OC 1141998232 LUNULPGHEASGFS-JTQLQIEISA-N 411.643 1.978 30 10 HDEE C[C@@H]1C[C@H](CO)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1142601219 AUPYBWBHIZPMRT-CVEARBPZSA-N 407.536 1.762 30 10 HDEE C[C@H](C#N)N(Cc1cccc(C(F)(F)F)c1)C(=O)Cn1cc(S(N)(=O)=O)cn1 1142766633 CCKRZMRVPASTEM-LLVKDONJSA-N 415.397 1.490 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](C)CC(=O)OC(C)(C)C)s1 1144262051 LBBUDVUHTGMVIR-GFCCVEGCSA-N 402.538 1.991 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC2CN(C(=O)OC(C)(C)C)C2)s1 1146324062 HRCUGORXZGWXTR-UHFFFAOYSA-N 415.537 1.490 30 10 HDEE C#CC1(O)CCN(C(=O)c2cn(CCC#N)nc2-c2ccc(OC)c([N+](=O)[O-])c2)CC1 1148406517 SGBLCXACXWNODI-UHFFFAOYSA-N 423.429 1.981 30 10 HDEE COc1cc(CCCNC(=O)CCN/C(O)=C2/N=CC=CC2=O)cc(OC)c1O 1149002234 UPSGPOOMNWZYQF-ZZEZOPTASA-N 403.435 1.375 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)/C=C(\C)c2ccc(C(F)(F)F)cc2)CC1 1152967667 NFFFUYRTWPDWGG-BUHFOSPRSA-N 415.437 1.721 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(O)CCS(=O)(=O)CC1 1157721091 JGOPRDDSDRUWDY-CQSZACIVSA-N 404.529 1.292 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1 1159133544 SXNZUDJZLYOKFZ-SFHVURJKSA-N 402.516 1.860 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2NC(=O)C[C@]23CCCC[C@H]3C)s1 1166643703 LOBUBCYKNLLEOK-ACJLOTCBSA-N 411.549 1.967 30 10 HDEE CCC1(NC(=O)OC(C)(C)C)CCN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC1 1176340321 KXSKXQFNDFGIQD-UHFFFAOYSA-N 419.482 1.507 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)c2ccn(S(=O)(=O)c3ccc(C)cc3)c2)CC1 1189678264 FZDWLKIMWWXRHJ-UHFFFAOYSA-N 415.471 1.953 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1 1203458982 GAOPBDZEHDDINR-AWEZNQCLSA-N 404.471 1.039 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(-c3ccc(C(=O)OC)cc3)o2)CC1 1207301070 BDAUXPJXHPDCHS-UHFFFAOYSA-N 417.487 1.318 30 10 HDEE C#CCN(C)CCCNC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1215357106 ZRPPDHKCNBUFFH-UHFFFAOYSA-N 406.430 1.604 30 10 HDEE C#CCN(C(=O)N[C@H](C)c1ccc(-n2cccn2)c(F)c1)[C@H]1CCS(=O)(=O)C1 1251318607 UBGGUFCVPAYFQF-ZBFHGGJFSA-N 404.467 1.904 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)Cc2ccc(Br)cc2C#N)C(=O)N1c1cnn(C)c1 1265562965 YYCXNXRDJBGLTK-BDJLRTHQSA-N 416.279 1.907 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1286324902 QQKIYNNEONFPGQ-GOSISDBHSA-N 422.537 1.766 30 10 HDEE C#CCN(c1nnc(CC)n1CC1(c2ccccn2)CCC1)[C@@H]1CCS(=O)(=O)C1 1286394967 QAQBEIHCYAQCLQ-QGZVFWFLSA-N 413.547 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1286443407 GHFWWLVSRUHLJU-HZPDHXFCSA-N 423.525 1.189 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCC[C@@H]1C 1286457092 GEPCAHJVMQCPJS-NYVOZVTQSA-N 420.554 1.956 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2snnc2C)CC1 1286484735 NYJBXXUZEMMRGY-UHFFFAOYSA-N 411.539 1.103 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@@H](c2nnc(C(C)C)o2)C1 1286593004 ACPSKOYUZLMAPH-UONOGXRCSA-N 401.471 1.890 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc3c(c2)OCO3)CC1 1286637330 BRJZOFQBQXCUSB-AWEZNQCLSA-N 419.507 1.822 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCS[C@@H](C)C1 1286821754 ADCZAZKUPLXYEM-HNNXBMFYSA-N 407.565 1.806 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCOC2)C1 1288976493 ALHJVZWUOLKDBG-TXPKVOOTSA-N 407.540 1.737 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1ccc(C(C)(C)C)cc1 1293016717 ANZNDIVPBGMBJP-OAHLLOKOSA-N 402.476 1.534 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1CS(=O)(=O)NC 1294124458 YJBCBXPVDSISLX-STQMWFEESA-N 409.936 1.563 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cnn(-c2ncccc2C#N)c1 1296135829 GHMOLMNWKVYVIC-MRXNPFEDSA-N 413.482 1.922 30 10 HDEE COC[C@@H]1C[C@@H](O)CN1C(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1300245799 AXIRTXJZGOWIAY-LSDHHAIUSA-N 400.435 1.631 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)CN1CCCCC1 1300271095 GVFWQEJHJMVTJV-IKGGRYGDSA-N 410.588 1.468 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CC1(N2CCOCC2)CC(OCC)C1 1300460525 XAUZZWCORIZEQY-UHFFFAOYSA-N 413.526 1.018 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(O)CCS(=O)(=O)CC1 1300475851 AOEQLGFTVIOFDK-HZPDHXFCSA-N 424.567 1.206 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1300506807 ZMEGRDOMFYPUEQ-AVRDEDQJSA-N 413.522 1.607 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](c1ccccc1)N(C)C 1300601317 GBCHNZKUJRAMCQ-FUHWJXTLSA-N 418.567 1.651 30 10 HDEE C=CC1(CC(=O)NCCS(=O)(=O)C(F)(F)F)CN(C(=O)OC(C)(C)C)C1 1300652724 HDRUHURMASLJGJ-UHFFFAOYSA-N 400.419 1.850 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CCCOC[C@H]2CCCO2)CC1 1300703474 KSPDTHKAEAOYGQ-OAQYLSRUSA-N 424.549 1.605 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H]2CCOC2)CC1 1300727470 YJBAFLWLPOVODA-FUHWJXTLSA-N 401.511 1.174 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CC2CC2)nnc1N1CCC(NC(=O)COC)CC1 1300892986 XDDVYFOXPGFTNJ-UTKZUKDTSA-N 417.554 1.943 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2nc(C)no2)C1 1301251550 GBIHZSBVADCZOE-HZPDHXFCSA-N 415.498 1.897 30 10 HDEE C#CCN(C(=O)[C@H](CCC)S(N)(=O)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1303655391 CNQCPTTXNKZMFN-HNNXBMFYSA-N 401.529 1.305 30 10 HDEE Cc1ccc(C(=O)NCC2(OCCO)CCCCC2)cc1S(=O)(=O)NCC#N 1304480366 TVJQHBUNLPVMQC-UHFFFAOYSA-N 409.508 1.239 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H](CC)N1CCCC1 1305789543 FEHPPHSPRSUFME-QZTJIDSGSA-N 417.558 1.800 30 10 HDEE C=CC[C@H](CC)NC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1312599997 IJTYTTRAHLJWRT-KRWDZBQOSA-N 424.567 1.801 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCNC(=O)OCc3ccccc3)CC2)cn1 1313428944 WQEUHZLBRPKJFT-UHFFFAOYSA-N 408.462 1.711 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCS(C)(=O)=O)C1 1315074115 GXRRNTPQNNCADD-MRXNPFEDSA-N 417.491 1.251 30 10 HDEE COc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c(OC)c1 1315496485 AOQDQRYQPIEKJZ-HOTGVXAUSA-N 412.450 1.023 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315733340 BKADMOARJYTIOD-WOJBJXKFSA-N 424.505 1.537 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCOCC(F)F)cc1 1316531003 LKRCXSRHKOCOBM-KRWDZBQOSA-N 418.448 1.619 30 10 HDEE CCN1CCN(S(=O)(=O)c2cccc(NC(=O)c3cc(C)c(C#N)cn3)c2)CC1 1348784027 IXRJYBIQNCRFLM-UHFFFAOYSA-N 413.503 1.840 30 10 HDEE C=CC(C)(C)CC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 1350775955 BCYRIXRQRLMVQS-AWEZNQCLSA-N 400.522 1.693 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@@]1(OCC)CCOC1 1358918017 IKTQXQFQUGLDDZ-GHTZIAJQSA-N 403.527 1.255 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1CCN(CC)C(=O)OC(C)(C)C 1358936950 CTSZFQKUYYEYMR-UHFFFAOYSA-N 404.515 1.841 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1358955450 MDGWILISCCVCCJ-CQSZACIVSA-N 401.492 1.715 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CCOCC)CC1 1359042393 DVFGJJPWLLYXTR-UHFFFAOYSA-N 411.506 1.956 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCCCN1CCC[C@@H]1CO 1359068482 CFKSWIHHUKILSG-XMSQKQJNSA-N 409.538 1.964 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccnc(OC(F)F)c1 1359230968 KKNHESFCNGVVTL-LLVKDONJSA-N 416.454 1.555 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC[C@H](NC(=O)CC)C1 1359297071 DHDCLQKOFVKCCZ-HNNXBMFYSA-N 414.485 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N(C)C[C@@H](C)C(=O)NC 1359328785 ODIBJVWEBOEZDF-CYBMUJFWSA-N 409.512 1.266 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(Cl)nc1 1359474190 OMKMXEIJKPIRBC-OCCSQVGLSA-N 408.915 1.873 30 10 HDEE N#Cc1cc(F)cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)c1 1438460361 NFEUYQAQZSNXRF-UHFFFAOYSA-N 409.464 1.961 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H]1CCNC(=O)CC1 1451797394 BMPMOLOHYRQCNS-LBPRGKRZSA-N 410.268 1.883 30 10 HDEE COc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cnc1OC 1453583425 ZZCSDFYDMGWKNL-LLVKDONJSA-N 404.448 1.555 30 10 HDEE C=CCOc1ccc(C(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)cc1OC 1453685462 HOCLETAKOBFZEL-NRFANRHFSA-N 404.463 1.350 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N(CC3CC3)[C@@H](C(N)=O)C3CC3)C2=O)cc1 1454960707 NSPYLZGFFOCXAL-IEBWSBKVSA-N 423.473 1.266 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)Nc3csc(S(N)(=O)=O)c3)ccc2c1=O 1454976508 QDTWKYJEGAOFAC-UHFFFAOYSA-N 422.513 1.832 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 1462269571 DNLRJZPBRNATAJ-HOTGVXAUSA-N 421.519 1.882 30 10 HDEE C#C[C@H]1CCCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 1463308300 VKBAZPSZBFKCCC-KRWDZBQOSA-N 421.494 1.306 30 10 HDEE C=CCN([C@@H](Cc1ccccc1)C(=O)OCC)S(=O)(=O)[C@@H]1CC(=O)N(CC)C1 1463518916 MJPMNLLJFSSGAW-MSOLQXFVSA-N 408.520 1.599 30 10 HDEE COc1ccc(C#N)cc1NC(=O)CNS(=O)(=O)c1ccc(OC)c(OC)c1 1464540672 HCYUBBZIIALZDN-UHFFFAOYSA-N 405.432 1.501 30 10 HDEE CN(C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H]1CCCCNC1=O 1464649924 RKQZJGLOPAQRNO-KXSVDRQTSA-N 404.511 1.900 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCc1c(I)cnn1C 1470008374 SWWNVELSXKNYFU-MFKMUULPSA-N 404.252 1.805 30 10 HDEE COC1(OC)CCOC[C@H]1NC(=O)c1ccc(C)c(B2OC(C)(C)C(C)(C)O2)c1 1470327490 RBRVKUAEWYYJJP-QGZVFWFLSA-N 405.300 1.802 30 10 HDEE COc1ccc(CNC(=O)N[C@H]2Cc3ccc(C#N)cc3C2)cc1S(N)(=O)=O 1470387893 HNQMWFPKKCTNFP-INIZCTEOSA-N 400.460 1.181 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3C)CCO2)CC1 1471124157 BZSFLLHPPHZOJO-OAQYLSRUSA-N 412.534 1.367 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccnc2Nc2ccccc2F)CC1 1471451400 RWUPAIMOWRIORV-UHFFFAOYSA-N 417.466 1.190 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)CNS(=O)(=O)c1c(F)cccc1F)C2 1472225623 VHYCWWWGCQOHHU-UHFFFAOYSA-N 412.443 1.343 30 10 HDEE COCCNC(=O)c1c(NC(=O)CN2CCO[C@](C)(C#N)C2)sc2c1CCCC2 1473837805 AFKORYCXTKWBTE-HXUWFJFHSA-N 420.535 1.556 30 10 HDEE N#Cc1cnc2ccccc2c1N1CCN(S(=O)(=O)c2c[nH]nc2Cl)CC1 1474921204 FEEMRLJELXPCIE-UHFFFAOYSA-N 402.867 1.994 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCCC[C@H]2c2ccccc2)CC1 1478639606 HBLFZRHMLQNZQZ-PMACEKPBSA-N 418.563 1.755 30 10 HDEE Cc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCCO[C@H]1CCOC1 1492911319 FVEDFVZWLQJKNI-WBVHZDCISA-N 412.498 1.159 30 10 HDEE Cc1cc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@](C)(C#N)C2)on1 1493143484 CUMOZCNOBRZGNH-KBXCAEBGSA-N 404.496 1.655 30 10 HDEE CC[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1499550684 HWSZGPFYNDKNQB-DCOQFNDQSA-N 415.498 1.179 30 10 HDEE CCOCc1nnc(N2C[C@H](C)C[C@@H]2CC)n1CCN/C(O)=C1/N=CC=CC1=O 1503028267 AYLBWBGTUMEJJQ-FXDIGPMBSA-N 402.499 1.966 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(C)=O)cc1 1504314994 UTSKRWUMRQTPLE-GOSISDBHSA-N 414.466 1.121 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CC=CCC1 1504888712 ZETRODVDEHYHGI-IRXDYDNUSA-N 407.540 1.903 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(CC(N)=O)CC3)n2C[C@@H]2CC[C@H](CO)O2)c1 1505313633 BXCVFQPPHZAUPP-RBUKOAKNSA-N 424.505 1.448 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCN(CCC)C(=O)C1 1507588041 FBMBBLLAMMWSHC-INIZCTEOSA-N 407.540 1.042 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCO[C@@H](C)C2)c1 1507604769 HOFMCSHXGCFPQR-SFHVURJKSA-N 424.549 1.755 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1C[C@H](C(C)C)N1CCOCC1 1507669177 IVXJDEABDOOCIW-NHCUHLMSSA-N 413.566 1.992 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc2c(c1)C(=O)NCC2 1507820136 YLOOLKVBBSROFM-GOSISDBHSA-N 408.506 1.966 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1507962328 QOHMIQDXTGPAPL-JYJNAYRXSA-N 402.499 1.069 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(F)cc3)n2CC(=O)N(C)C)C1 1508127494 LLFSHKOSZBJDHZ-QGZVFWFLSA-N 403.458 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)Cc1cnn(CC)c1 1508139718 DDGYFUROGKKEJK-INIZCTEOSA-N 408.528 1.236 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CC[C@@H](c2ccco2)C1 1508143013 WARQFUDNLMFQIG-CVEARBPZSA-N 406.508 1.970 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@H]2CCO[C@@H](C)C2)CCOC1 1509818148 RMFPISKBRWPLMK-XKGFGPFHSA-N 419.526 1.863 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CC1CC(F)(F)C1 1517630488 WRECHFJNSPJWAZ-UHFFFAOYSA-N 424.477 1.847 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(CN3CCCC3=O)n2CC(F)(F)Br)C1 1521069284 HTBPDFUTILZUEA-CYBMUJFWSA-N 421.221 1.830 30 10 HDEE C#CCCCCn1c([C@H](C)OCCOC)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1539053138 LIXLMDBKSLOTKT-BBWFWOEESA-N 405.499 1.740 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC(C)(C)N1C[C@H](C)O[C@H](C)C1 1539200797 OQECLSWRPCJGMV-RDGPPVDQSA-N 419.570 1.959 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCC1(O)CCC1)[C@@H]1CCS(=O)(=O)C1 1539218993 AWQLWUXZEHMNQF-SJORKVTESA-N 422.551 1.452 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccco1 1539257131 GHBUODSGCMXRNO-UHFFFAOYSA-N 408.487 1.952 30 10 HDEE C=C(C)Cn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1539722626 HUZZERYQIAKIPK-GUXCAODWSA-N 405.499 1.830 30 10 HDEE C=CC1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCS(C)(=O)=O)CC1 1539899972 DFTVGJHMLDCNDB-IRXDYDNUSA-N 412.556 1.839 30 10 HDEE C=CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(=O)NC2CC2)CC1 1540858689 WVMJUDXCLALIDM-UHFFFAOYSA-N 416.476 1.734 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CC[C@H](OC)C1 1540866493 OVZBJAFNCLKTDU-HNNXBMFYSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(Cc2cnc(C)s2)CC1 1540869203 FMZMDUQCMMNMRX-UHFFFAOYSA-N 401.540 1.545 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)on2)C1 1540884469 POOHOWQKKSWAIF-ZFWWWQNUSA-N 410.500 1.014 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2nnn(C)n2)C1 1540896114 GTDNRXQDRBMCFU-BFYDXBDKSA-N 416.530 1.550 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(CCN2[C@@H](C)CC[C@@H]2C)CC1 1540898725 SHQTZCXKDATSCH-ROUUACIJSA-N 424.615 1.182 30 10 HDEE CC(C)NC(=O)CCn1c(Cn2ccc3ccccc32)nnc1N1CCO[C@@H](C#N)C1 1541690538 GRXYUYKTXZMXCE-SFHVURJKSA-N 421.505 1.925 30 10 HDEE Cc1nnc(N2CCC[C@@H](Cc3ccc(C#N)cc3)C2)n1CCNS(C)(=O)=O 1543265552 WTPJWRMIKGURDJ-SFHVURJKSA-N 402.524 1.467 30 10 HDEE CCOCCCCn1c(CC)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1548240194 PWMIGYWWCRZGCH-UHFFFAOYSA-N 400.531 1.897 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2ccn(C)n2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367684 FMDTYGWEIIOOIY-MRXNPFEDSA-N 420.395 1.388 30 10 HDEE CN1CC[C@@](O)(Cn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357520 GUVMJHKEFRVFAC-KNQAVFIVSA-N 410.522 1.747 30 10 HDEE CN1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ccc(C#N)o2)CC1=O 1554363260 GJFHGPWEVSLRAY-UHFFFAOYSA-N 417.429 1.520 30 10 HDEE COCCN(CC1CC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1555554689 YNOMXRGTRQQMON-HNNXBMFYSA-N 419.507 1.556 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC(=O)NC2CCCCC2)CCO1 1555992868 DAHAERGRUTYJHC-DOTOQJQBSA-N 402.499 1.350 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1c2ccoc2CCN1C(=O)OC(C)(C)C)C(=O)OC 1556375409 IQRQQMAUCYMRKC-HOCLYGCPSA-N 408.451 1.974 30 10 HDEE C=CC1(CC(=O)NCc2cn(C3CC3)c(=O)nc2O)CN(C(=O)OC(C)(C)C)C1 1558128159 JKHBVBNPQNXDES-UHFFFAOYSA-N 404.467 1.713 30 10 HDEE C=CCCC[C@@H](NC(=O)c1cn([C@@H]2CCS(=O)(=O)C2)nc1C(C)C)C(=O)OC 1558383819 PTDVJIRRDZRCPC-GDBMZVCRSA-N 411.524 1.994 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1558465872 QTYONNOHAOFHLG-AWEZNQCLSA-N 417.466 1.765 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)c1[nH]c3ccccc3c1C#N)CCS2(=O)=O 1558718063 ZABDVYGEGLDJEJ-BTTAGBNVSA-N 415.471 1.668 30 10 HDEE CC[C@H](C)[C@H](NCC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)C(N)=O 1560138094 BCIUASPDYXIQGO-MDOVXXIYSA-N 415.538 1.846 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OCC 1561573948 KJUZQGTXAMIAGK-CYBMUJFWSA-N 418.899 1.884 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2ccc(Br)cc2CC(=O)OC)CC1 1561764828 KVPOLEXGPXFZQT-UHFFFAOYSA-N 416.293 1.313 30 10 HDEE COc1cc(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)c(F)cc1C#N 1563098777 DKLIJUSKSJFPJJ-GFCCVEGCSA-N 412.365 1.650 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCN(CC)C(=O)OC(C)(C)C)n1 1563961618 WKYCHHZVHYBLLL-UHFFFAOYSA-N 407.515 1.931 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCCC(=O)N(C)Cc1ccccc1Br 1564018573 AXMAIUWCGSJQCB-OAHLLOKOSA-N 408.296 1.841 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cncnc2N2CCCC2)s1 1566307711 ZFHYZOAOZHHPBD-UHFFFAOYSA-N 407.521 1.784 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@]3(C(=O)OC(C)(C)C)CCCO3)CC2)c1C#N 1569887143 BBMOKCMJXJXNOT-LJQANCHMSA-N 406.508 1.863 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CC[C@@H](Nc3ncccn3)C2)s1 1570693026 ILNLBOFLALVSCG-CYBMUJFWSA-N 407.521 1.258 30 10 HDEE COc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 1587744181 LGTBLKKFAHNMTP-GVDBMIGSSA-N 419.503 1.615 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1Cc1ccc(C(N)=O)nc1 1588099173 ITOASBPZMPLHAU-UHFFFAOYSA-N 415.413 1.468 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1588185306 DZXCJQAEDXLAAY-FGZHOGPDSA-N 413.522 1.260 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCc1n[nH]c(C)n1 1588193725 KAENYHWQNJCELO-UHFFFAOYSA-N 404.434 1.985 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 1588199758 YPYHRZGHODJNJC-UHFFFAOYSA-N 422.507 1.098 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1588766185 RLWOBKAVMDDUOY-INIZCTEOSA-N 407.511 1.127 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(NS(C)(=O)=O)CC1 1593818420 SCRYWWIZUFNMOK-ZDUSSCGKSA-N 421.951 1.273 30 10 HDEE C=C(Cl)Cn1c(-c2cccnc2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1593858663 JXPWZHZRGNOQBB-CQSZACIVSA-N 401.858 1.565 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 1594812824 KYQHJFUNQDGWKD-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)C(C)C)CC1 1595501020 JMPUFNBAMVPSKC-UHFFFAOYSA-N 400.483 1.453 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCC=C(C)C2)nnc1[C@@]1(OCC)CCOC1 1595831507 RBOBCYOGYJCMKW-LJQANCHMSA-N 410.540 1.687 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(C)CCN(C)CC3)ccc2c1=O 1597659350 ZRULURCSWIEDTB-UHFFFAOYSA-N 401.536 1.191 30 10 HDEE CS(=O)(=O)[C@H]1C[C@H](NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1597967645 IDFRUSHRUACBCU-HDJSIYSDSA-N 418.475 1.714 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1611287833 ZWADBLFVEMBPBI-WWMYMODYSA-N 416.526 1.981 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1611304188 XJIAVPMFGQWRIT-APWZRJJASA-N 423.521 1.852 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)N2CCN(c3cccc4[nH]ccc34)CC2)c1 1611622434 HVJSTOZMJPUCEG-UHFFFAOYSA-N 423.498 1.667 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CC[C@H](O)[C@H](F)C3)nnc12 1611695582 KYTQEKGTJRULAJ-HIFRSBDPSA-N 417.466 1.254 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NCCc3nnc(S)o3)C2)C1 1617079026 BFKAPYXLESUODA-BJCXPLBRSA-N 407.496 1.804 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC(=O)NC1CCCCC1 1620026189 WNQZIUACRWWANT-DOTOQJQBSA-N 420.514 1.180 30 10 HDEE CS(=O)(=O)C[C@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)CCO1 1620624744 DQBWVNVXFFQKNB-CYBMUJFWSA-N 411.549 1.573 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC1 1623494380 HURPDLGZFHDZDT-HKBOAZHASA-N 416.497 1.414 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@H]32)CC1 1623499263 VTCUWMFQOCGNAG-QXAKKESOSA-N 416.319 1.228 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2cc(C(=O)OC)c(C)o2)s1 1625484657 KPDPXTZTNVCQJS-UHFFFAOYSA-N 412.489 1.759 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)[C@@H]2CC(c3cn(C)nc3C)=NO2)C1=O 1626598333 QTXIGCMRGLQPFR-JXFKEZNVSA-N 418.498 1.924 30 10 HDEE CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CC1 1627071748 FNNCLIGVKMLXIN-RMKNXTFCSA-N 411.451 1.377 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@H]1CCO 1627412853 UVHLAXLQJOKWIP-CABCVRRESA-N 416.565 1.731 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CC1 1627800382 RVVKWWIPVYBXRY-OAQYLSRUSA-N 417.529 1.876 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1C[C@@H]2C[C@H]1C[S@]2=O 1628318372 LGRPMPKIQKEYCR-BGBYCUJFSA-N 413.293 1.830 30 10 HDEE O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N[C@@H]1CCN(O)C1=O 1628369856 DDIWZFKSAQOKMY-OAHLLOKOSA-N 410.459 1.528 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1 1628682360 JZNQRLNXNRMZIA-CABCVRRESA-N 413.906 1.970 30 10 HDEE CC(C)c1nc([C@@H](CO)NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)cs1 1631476986 YFKOIWBJGBJDAP-GFCCVEGCSA-N 408.505 1.155 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC([C@@H](O)C(=O)OC)CC1 1632298896 UQUICJOVJHSQRT-ZIAGYGMSSA-N 404.891 1.795 30 10 HDEE Cn1cc([C@]2(CNC(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCCO2)cn1 1634918201 BQOKIXZKBOYMTC-DENIHFKCSA-N 422.489 1.398 30 10 HDEE C#CC[C@H](CO)NC(=O)c1nnn([C@H]2CCN(C(=O)OC(C)(C)C)C2)c1C(F)F 1636839328 ZKIXHECPESSHAA-NEPJUHHUSA-N 413.425 1.512 30 10 HDEE C#CC[C@@H](COC)NC(=O)N1CCCC[C@H]1CNC(=O)CCNC(=O)OC(C)(C)C 1637390521 VWTRZYKWWNYFDD-IRXDYDNUSA-N 424.542 1.620 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](CO)c2ccc(OC)cc2)c1 1637628247 SDWONFXJLWBJON-QGZVFWFLSA-N 402.472 1.113 30 10 HDEE C=CC[C@@]1(C(=O)NCCN2CCC3(C2)OCCO3)CCCN1C(=O)OC(C)(C)C 1640987989 UGZODEIJPWGVLY-FQEVSTJZSA-N 409.527 1.897 30 10 HDEE C[C@]12COC[C@@]1(C)CN(CC(=O)N1CCN([C@H](C#N)c3ccc(F)cc3)CC1)C2 1643753908 WTTTZNAUTMLFNN-FCEUIQTBSA-N 400.498 1.893 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NCC2C[C@@H]3CC[C@H](C2)S3(=O)=O)c1 1644914079 GAFKTOZQZMBAPJ-QXMXGUDHSA-N 414.480 1.209 30 10 HDEE C#CCN(C(=O)CCCN1C(=O)CNC1=O)C1CCN(C(=O)OC(C)(C)C)CC1 1645454942 SLPHHDMESCTXEN-UHFFFAOYSA-N 406.483 1.180 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCC[C@H]3OCCNC(=O)[C@@H]32)cc1Br 1650788076 HZYCBCVMMWYTBF-GDBMZVCRSA-N 408.252 1.206 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2ccc3ccccc3c2F)CC1 1654308951 QYDQELCWBNKLRJ-UHFFFAOYSA-N 403.479 1.425 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN2CCS(=O)(=O)C[C@H]2CCO)ccc1Cl 1654857103 UBQYCCDTQGGBSX-MRXNPFEDSA-N 413.927 1.377 30 10 HDEE C[C@](Cn1cccn1)(NCC(=O)Nc1sc2c(c1C#N)CCCCC2)C(N)=O 1655844839 VUCSRHACIOYXJK-LJQANCHMSA-N 400.508 1.557 30 10 HDEE C#CC[C@H]1CCCN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)C1 1658187634 AFVJMZVUMJHMKW-INIZCTEOSA-N 421.519 1.983 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)N1CCOCC1 1665489248 NKBGVXGQVKWIFI-ROUUACIJSA-N 405.495 1.415 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(C)ccc2Br)CC1 1669911092 XVUWPTIEVIEUFW-UHFFFAOYSA-N 415.313 1.375 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@](C)(CNS(=O)(=O)c2ccc(C#N)s2)C1 1671386550 AGKFEELMMOPOEE-MRXNPFEDSA-N 401.510 1.924 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2nn(CC)cc2C(=O)OCC)n1 1675475412 HPAKCXDMJZCSTI-UHFFFAOYSA-N 402.455 1.590 30 10 HDEE Cc1cc2c(CCNC(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)c[nH]c2cc1F 1683081393 JPVWDBXYMQESRG-LIRRHRJNSA-N 404.467 1.738 30 10 HDEE CCOC(=O)[C@H]1[C@H]2CN(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC[C@H]21 1686341581 MSMFMNWTITWKMR-FCGDIQPGSA-N 410.474 1.500 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(Br)cn2C)n1Cc1nncn1C 1689833396 JJFXRMHHMNAJLK-NSHDSACASA-N 403.288 1.681 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CC1(N(C)C)Cc2ccccc2C1 1690012209 UZQXEDYWLGIYHM-UHFFFAOYSA-N 413.529 1.851 30 10 HDEE C#CCN(CC#C)c1nnc(COc2cc(C)ccc2C)n1C[C@]1(O)CCN(C)C1 1690026977 UPVLENJQDUMDCT-QHCPKHFHSA-N 407.518 1.613 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](F)COC 1690043782 NOOZVQRPJSISQN-MRXNPFEDSA-N 422.464 1.639 30 10 HDEE C#CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1690159934 RBMWSNHXJQZTJI-UHFFFAOYSA-N 409.313 1.338 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CCCN2CCCO)CC1 1690375868 VVUIRAKGUALHHW-ZWKOTPCHSA-N 423.583 1.183 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCCS1(=O)=O 1690532426 NSLATARPGKGNIW-CQSZACIVSA-N 423.564 1.859 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 1693382439 FNZJGGVWXGFFJS-KRWDZBQOSA-N 412.498 1.228 30 10 HDEE CC[C@@H]1C[C@@H](C)CN1c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1\N=CC=CC1=O 1694820353 RZEOJSPZERPJAO-KMMVWKSPSA-N 424.509 1.830 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1CC1CCN(CCN(C)C)CC1 1705492410 QEKYBKJFYZLWJO-AZUAARDMSA-N 402.587 1.904 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC1(N2CCOCC2)CCCCC1 1705493977 REUPOXXSEOFXQK-ZWKOTPCHSA-N 414.554 1.722 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1705595058 DBLWNUHROWCZGF-FQEVSTJZSA-N 421.549 1.679 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1705652688 JGJWTSUIROJLHF-CYBMUJFWSA-N 417.457 1.648 30 10 HDEE C#CCSCCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](COC)C1 1705658903 FCFCGWZTSUGUIU-CQSZACIVSA-N 403.508 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC(=O)N(C)[C@@H](C)C1 1705693758 KDZGBEMRMKAGSV-ZOBUZTSGSA-N 404.515 1.064 30 10 HDEE C=C1CCN(c2nnc(C3CCC3)n2Cc2ccc(C(=O)NCC(N)=O)cc2)CC1 1705767457 AVZPEJHZSPKTLN-UHFFFAOYSA-N 408.506 1.965 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@]3(CCCOC3)C2)nnc1[C@@]1(OCC)CCOC1 1705907995 DVAKTIFFZXRNQN-NHCUHLMSSA-N 419.526 1.239 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)C1 1705926247 ZZWLKFDHCCTNFI-IXDOHACOSA-N 410.540 1.531 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(c2nnc(C3CC3)n2Cc2ccc(C#N)o2)CC1 1708634258 HCWIJPKLCLETSL-OAHLLOKOSA-N 411.510 1.705 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CCO1 1712883988 DHVDYPDTNSPLAN-HIFRSBDPSA-N 423.445 1.235 30 10 HDEE C#CCCCCn1c(Cc2cn3ccccc3n2)nnc1N1CCS(=O)(=O)CC1 1722319744 QXNMXCFNLGAJPA-UHFFFAOYSA-N 412.519 1.555 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1 1722322647 VVLXGKKGLKQDQO-UHFFFAOYSA-N 403.531 1.460 30 10 HDEE C#CCN(CC#C)c1nnc(CCCc2ccccc2)n1C[C@@H]1CCS(=O)(=O)C1 1722386142 WNJKQXKNUJWKKM-FQEVSTJZSA-N 410.543 1.961 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCOC[C@H]2OC)CC1 1722439831 RDBLILQFRCGTFY-VQTJNVASSA-N 410.522 1.071 30 10 HDEE C=C(Br)Cn1c(Cc2ccncc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1722487638 VAZNDMCCDBYLBM-SFHVURJKSA-N 417.311 1.889 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1722566941 FDSABMSWNAQHBA-QZQOTICOSA-N 419.489 1.947 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@@H](C(=O)OC)C1 1722701276 LLFLGZLPNZWVHT-OAHLLOKOSA-N 403.508 1.622 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(CC)Cc1ccc(C(=O)N(C)C)cc1 1722724508 YDTIMGNIEHHMQI-UHFFFAOYSA-N 419.551 1.916 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C)CCC(F)(F)F 1722726858 GHSDNSGIEZCGNJ-UHFFFAOYSA-N 406.434 1.668 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCOc2ccccc2)nnc1N1CCOCC1 1722730400 QPDKTXNEUBMPSH-UHFFFAOYSA-N 406.508 1.337 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CC[C@@H](C3CC3)C2)nnc1[C@@]1(OCC)CCOC1 1722731491 MDCORIRRFBJDLE-YLJYHZDGSA-N 424.567 1.767 30 10 HDEE CCN(CC)CCOCCn1c(-c2cnccn2)nnc1N1CC[C@@](F)(C#N)C1 1728422147 WCISFHNETMDSEC-LJQANCHMSA-N 402.478 1.535 30 10 HDEE CN(Cc1cscn1)c1nnc(CC2CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1729439883 LYCUYSIRUBBLCS-ZCXUNETKSA-N 413.507 1.850 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cc(C)cn1 1730946197 KXMNZVROWGXPOC-TXPKVOOTSA-N 403.462 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccc(OC)nc1 1740542070 NOPVMTBYHOJZAV-HNNXBMFYSA-N 415.461 1.831 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCNC(=O)c1cccc(C)c1 1740556139 AWEHPGHDYUMFFT-QGZVFWFLSA-N 408.506 1.597 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1740560183 CYQZIFHCHJEVBW-MRXNPFEDSA-N 419.551 1.421 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1740563970 YFUZZTLEJNTCKC-WCIQWLHISA-N 419.570 1.817 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(NC(=O)c2cc(C)on2)CC1 1740590985 KYSOSDPXQWPBLL-INIZCTEOSA-N 412.494 1.891 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1740715950 IEHMJBXAFBJVNX-DLBZAZTESA-N 413.551 1.942 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c(CC)nnc1N1CCN2C(=O)NC[C@@H]2C1)C(C)C 1740925961 FKMFDQVNORCFDU-QZTJIDSGSA-N 401.559 1.753 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(C)=O)C2(CCCCC2)C1 1740962767 NWADLYWBRNTLRC-UHFFFAOYSA-N 414.554 1.904 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2CCCN2CCOC2=O)C1 1740981058 LTCDGKIHUVETDF-SFHVURJKSA-N 412.494 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(CC)C[C@@H]1CCCO1 1740989521 PMPAESGRYVKHHS-KRWDZBQOSA-N 405.524 1.946 30 10 HDEE Cc1cccc(-c2nnc(N(C)CC(=O)N3CCOCC3)n2Cc2ccc(C#N)o2)n1 1742308246 CTSZMBRBVKXDJT-UHFFFAOYSA-N 421.461 1.457 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1743263135 RZYQSIKLARVMHD-HMWBCQRISA-N 409.450 1.092 30 10 HDEE CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@@H](C(F)F)N1CCOCC1 1744695941 DBFPXUXKPCWXBJ-IRXDYDNUSA-N 423.512 1.373 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1748672314 RTKJNOIBTBDAKW-GJZGRUSLSA-N 415.585 1.212 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC1(C(N)=O)CCOCC1 1748802862 LLFRCZAOYPTEKL-HZPDHXFCSA-N 403.527 1.548 30 10 HDEE C#CCN(c1nnc(-c2ccc(OC)cc2)n1C[C@H](C)OC)[C@H]1CCS(=O)(=O)C1 1748809193 KLDAVIPFGXOWEH-RDJZCZTQSA-N 418.519 1.615 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1cc(C)oc1C)[C@@H]1CCS(=O)(=O)C1 1748817206 GPGYSAAAXKGPNL-OXQOHEQNSA-N 420.535 1.585 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccc(F)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1748930777 YGTBTEUYIWPNNJ-KRWDZBQOSA-N 419.526 1.749 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1ncn(C)n1 1748956335 CJETVGCIEXQVRJ-UHFFFAOYSA-N 411.466 1.225 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2CCc2nnc(C)s2)CC1 1748993599 DREHHHRJKFYQPZ-UHFFFAOYSA-N 408.535 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1749005159 SNKOHLLYXONWNG-INIZCTEOSA-N 400.527 1.282 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1CC1(S(C)(=O)=O)CCCC1 1749154462 UTVJXPGVEQDXIA-OAHLLOKOSA-N 409.556 1.989 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(S(=O)(=O)c2ccccc2C)CC1 1749213877 QZFWYWAPBUBYJL-UHFFFAOYSA-N 419.551 1.999 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(CN2CCC(O)CC2)cc1 1749484979 MEMHDEQGNQNOSN-FQEVSTJZSA-N 424.549 1.856 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCCN(CCC)C(=O)C1 1749730808 RGXZGBVGLMABSS-UHFFFAOYSA-N 420.539 1.323 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2F)nnc1N1CC[C@@H](OC)C1 1749737155 XXDKMAQQKHVUHZ-MRXNPFEDSA-N 408.499 1.834 30 10 HDEE CSCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1750330854 KTZPDYXRTWIDHI-UONOGXRCSA-N 416.573 1.102 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCC1(O)CCOCC1 1760111500 NQKSYVAHZTXHRF-CQSZACIVSA-N 401.467 1.395 30 10 HDEE C#CCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCS(=O)CC1 1760152608 ROYBIMJVLDWAPW-UHFFFAOYSA-N 410.503 1.174 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(F)cn2)CC1 1760257128 PCJBZDWNNDNDQM-MRXNPFEDSA-N 402.474 1.340 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H](C)COC)CC1 1760264952 ZTDLCGKRKNIFMB-GOSISDBHSA-N 413.522 1.903 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCNC2=O)CC1 1760439218 ZERWIMJEGGLQRM-INIZCTEOSA-N 401.515 1.580 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1760442658 UDNGUIZCOLHBDI-OAHLLOKOSA-N 401.471 1.636 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(C(N)=O)nc2)C1 1760544786 HDVXLCJJSIUONR-MRXNPFEDSA-N 408.466 1.002 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CC(=O)NCCC)C1 1760545620 YDRTUZNSNDTXIP-CQSZACIVSA-N 416.482 1.313 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@H](C)[C@@H]1C 1760548624 LYYFSGIKTLRPLH-GJZGRUSLSA-N 418.523 1.761 30 10 HDEE COC(=O)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC2(O)CC2)C1 1767882460 TYDAPWAYZVUGNH-MRXNPFEDSA-N 411.462 1.643 30 10 HDEE CO[C@H](C)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1769591926 LUGLXTYJTOBSBW-BFYDXBDKSA-N 412.498 1.541 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)[C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1771164564 IJDAKIDTQYPYCX-UONOGXRCSA-N 423.495 1.138 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1CCN1CCCCC1 1771295532 SWILUWKQSKOQSD-ZWOKBUDYSA-N 406.506 1.930 30 10 HDEE Cc1c(C(=O)ON2C(=O)c3ccccc3C2=O)nnn1-c1cccc2c1CCN(C)C2 1772790297 ALBSNVKKSQMZLM-UHFFFAOYSA-N 417.425 1.932 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)CN1C(=O)C(=O)N(Cc3ccccc3Cl)C1=O)CC2 1851203911 MLYSWMOKXMZUJC-AWEZNQCLSA-N 414.849 1.783 30 10 HDEE CS(=O)(=O)CCCN1CCN(C(=O)c2nc(-c3ccccc3)ccc2C#N)CC1 1852086680 WJDSCFQOOOABJY-UHFFFAOYSA-N 412.515 1.813 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)NCCN2CCCS2(=O)=O)c2ccccc21 1852146073 SFIVDNLBGBMYHN-UHFFFAOYSA-N 406.508 1.226 30 10 HDEE N#CCC(=O)O[C@@H](CN1CCCC1=O)CS(=O)(=O)c1cccc(C(F)(F)F)c1 1852208217 WEQSDGAIXHYZEB-ZDUSSCGKSA-N 418.393 1.927 30 10 HDEE N#Cc1ccc(C(=O)N2CCN(S(=O)(=O)Cc3cc(F)cc(F)c3)CC2=O)cc1 1853872215 IAZGKKRLJFKWFV-UHFFFAOYSA-N 419.409 1.651 30 10 HDEE C=C(C)CN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc(C)c2)C(=O)C1 1854621401 AAOWIRXLKUCMBB-SFHVURJKSA-N 405.520 1.395 30 10 HDEE CC(C)Oc1cncc(C(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1 1854941917 USNAJDUCCBDKKA-PKOBYXMFSA-N 413.522 1.920 30 10 HDEE C[C@@H]1CCN([C@@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855955219 BQVMTFZHJFNJPK-CRAIPNDOSA-N 403.504 1.127 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)Cn3cnc4ccccc4c3=O)C2)CC1 1856157072 CVEIZECHBJJNEV-QGZVFWFLSA-N 407.474 1.397 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3C[C@@H](C4CCN(CCC#N)CC4)CC3=O)c2c1 1856171425 DEZJPDKCJBHYQJ-KRWDZBQOSA-N 410.474 1.904 30 10 HDEE C=CCN([C@H]1CCCN(C(=O)c2nccc(Cl)c2F)C1=O)[C@@H]1CCN(C)C1=O 1856729030 VNXHXFVURCHYAT-UONOGXRCSA-N 408.861 1.724 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)COc3ccc4c(c3)OCO4)C(=O)C2)C1 1856843483 FRPNSMVULKKFAC-INIZCTEOSA-N 401.463 1.115 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccccc2OC)C1)[C@H]1CCN(C)C1=O 1857056831 QCHVRFGJQDZPDT-HKUYNNGSSA-N 413.518 1.722 30 10 HDEE CCC[C@@H](F)C(=O)N1C[C@H](CN(C)C2CN(c3nccnc3C#N)C2)CCC1=O 1857387429 MOCWERYLWSKOIZ-GOEBONIOSA-N 402.474 1.372 30 10 HDEE NS(=O)(=O)c1ccc(CCNC(=O)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 1860736087 WNSOPVIECDRGEJ-XVNBXDOJSA-N 402.428 1.004 30 10 HDEE C=CCn1c(C(=O)NCCCOCC)cc2c(N3CCN(C(C)=O)CC3)ncnc21 1873591025 ARBXDJBKBVEJSP-UHFFFAOYSA-N 414.510 1.442 30 10 HDEE CN(C1CN(c2ccc3nnc(C4CC4)n3n2)C1)S(=O)(=O)c1ccccc1C#N 1890222580 QANAXDUKPXRIFQ-UHFFFAOYSA-N 409.475 1.383 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2CCO[C@@H](C#N)C2)CCN(Cc2ccccc2)C1 1985195616 GNSGCSPJZREZPW-PGRDOPGGSA-N 414.506 1.907 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)CC(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2010401643 GLFNLWVKELQEFA-QLPKVWCKSA-N 423.363 1.994 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)C(=O)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2012916245 WWOLEGSSZOSNPQ-MRXNPFEDSA-N 420.315 1.488 30 10 HDEE C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)SC[C@H](C)C(=O)N1CCC[C@@H]1C(=O)O 2080602876 VSMLGFTXXRILDO-RQJABVFESA-N 416.565 1.515 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[S@](=O)(=NS(=O)(=O)c2ccc(C#N)nc2)C1 2118163280 PEQCXDBNMGMPTI-UOXLDJKESA-N 400.482 1.407 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C[C@@H](O)C1 2217463876 JFCQIGKKTWCZGB-MRXNPFEDSA-N 419.331 1.799 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC3[C@H]4CN(Cc5ccccc5)C[C@H]34)[nH]n2)OC1(C)C 2247827052 DPNMCIGLYIITQP-HOTGVXAUSA-N 408.311 1.569 30 10 HDEE Cn1cc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)nc1B1OC(C)(C)C(C)(C)O1 2248243426 BCXFRCLGEKJSKQ-KTKRTIGZSA-N 420.319 1.530 30 10 HDEE C=C(CN(C)C(=O)[C@@H]1CNC(=O)CN1C(=O)OC(C)(C)C)B1OC(C)(C)C(C)(C)O1 2248400955 CZRZVLZQHCKMLB-AWEZNQCLSA-N 423.319 1.368 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCc1ccn(Cc2ccccc2)n1 2255653082 DPNITNJCPPDXEX-UHFFFAOYSA-N 421.310 1.894 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1C#N 2258195594 FRNRTODIVVZQFU-ZBEGNZNMSA-N 415.393 1.574 30 10 HDEE Cc1sc(C(=O)NCCCS(N)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281932508 MKYSFZKBMPPLEH-UHFFFAOYSA-N 402.347 1.073 30 10 HDEE CCCS(=O)(=O)CCNC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1 2282021716 OXTZFXXILOTJGP-UHFFFAOYSA-N 402.347 1.305 30 10 HDEE CCc1nc(C(=O)N=[S@@](C)(=O)CCNC)c(B2OC(C)(C)C(C)(C)O2)s1 2282032592 IARDKNATVGTYRW-SANMLTNESA-N 401.363 1.462 30 10 HDEE CN1CC2(C1)CN(S(=O)(=O)c1cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s1)C2 2282312911 CXIUGVYDLWCZCL-UHFFFAOYSA-N 418.777 1.637 30 10 HDEE C[C@@H](CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1F)[S@](C)=O 2282313581 MZXYVVAANWERLM-FTJNGKRUSA-N 405.322 1.170 30 10 HDEE CC[C@@]1(NS(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)CCNC1 2282328181 UEIBUIOIOYPKJY-QGZVFWFLSA-N 400.375 1.776 30 10 HDEE CN([C@H](CN)C(F)(F)F)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344482 VVBHYFWOLUNYQD-SNVBAGLBSA-N 414.280 1.557 30 10 HDEE C[S@@](=O)CCCCNS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1 2282352640 PVHZKWUURWDLFX-RUZDIDTESA-N 401.359 1.423 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@]1(C)O 2282353342 GQONHHBUGWIADK-SJKOYZFVSA-N 401.359 1.829 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282504273 MIWXOCNDEWRHPO-CHWSQXEVSA-N 401.359 1.713 30 10 HDEE C[C@H]1C[C@H](NC(=O)c2nscc2B2OC(C)(C)C(C)(C)O2)CCS1(=O)=O 2282515025 LWTNEJCWCGPSAH-WDEREUQCSA-N 400.331 1.138 30 10 HDEE CCS(=O)(=O)N(C)CCNC(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282673346 VFMWMXFWKLVSKA-UHFFFAOYSA-N 402.347 1.059 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2OCC[C@@H]2F)sc1B1OC(C)(C)C(C)(C)O1 2282836952 AFMJEDWHLRRBPK-RYUDHWBXSA-N 405.322 1.761 30 10 HDEE C[C@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282847867 GBDRGKCBHKGJPM-JSGCOSHPSA-N 400.375 1.666 30 10 HDEE C[C@H]1[C@@H](N)[C@H](C)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282853129 YPCOXTUVMYUOLA-DYEKYZERSA-N 400.375 1.794 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@](F)(CO)C3)s2)OC1(C)C 2282855105 ZJBQUQQPGMPQLY-MRXNPFEDSA-N 405.322 1.532 30 10 HDEE C[C@@H]1C[C@@H](CN)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282855201 AUHBLHHQFAXTAM-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1=C(B2OC(C)(C)C(C)(C)O2)CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)C1 2284064607 ZMARPMMCQIMSNJ-ZDUSSCGKSA-N 405.347 1.157 30 10 HDEE C[C@@H](CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@H](F)C(=O)O 2284409637 LVCAKEZCGCULJG-CABZTGNLSA-N 407.294 1.384 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC[C@H](O)[C@@H](O)CC3)c2Cl)OC1(C)C 2284566479 GQHQJWHLABKHLZ-RYUDHWBXSA-N 401.721 1.659 30 10 HDEE C#CCN(C(=O)[C@@](C)(CC(C)C)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2285438794 IOSUVRAJQRDQOE-HNAYVOBHSA-N 400.541 1.965 30 10 HDEE O=c1c(Br)c(NN=Cc2cccs2)cnn1[C@@H]1CCS(=O)(=O)C1 2322659606 AZFVWNZRERUICW-SECBINFHSA-N 417.310 1.873 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1([C@H](O)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@@H]21 2365175900 LHJYJJHYQWVCOJ-ZTENYAIWSA-N 401.525 1.636 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCCN(C)C(=O)OC(C)(C)C 2365200203 WLUJZBXWQJXVJF-HNAYVOBHSA-N 404.573 1.799 30 10 HDEE C[C@H](NS(=O)(=O)CCOCCF)c1nscc1B1OC(C)(C)C(C)(C)O1 2365573283 LLPOQCZNPDVWOS-NSHDSACASA-N 408.326 1.409 30 10 HDEE CO[C@]1(CNC(=O)OC(C)(C)C)C[C@H]([C@H](O)C#CC2(S(C)(=O)=O)CCC2)C1 2367794483 HWIVOGNHJUBGSS-RKVPGOIHSA-N 401.525 1.638 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(C)CCC[C@]1(O)[C@H](N)C#CC1(S(C)(=O)=O)CC1 2367819573 YEXSHBYTVBKEBH-LJHODMEESA-N 400.541 1.340 30 10 HDEE COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)cc1S(N)(=O)=O 55565208 SBJMRFQHPWPMRE-UHFFFAOYSA-N 401.853 1.668 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)C2(c3ccc(OC)cc3)CCOCC2)CC1 140533786 KUYUMRRNTJQUIK-UHFFFAOYSA-N 401.507 1.190 30 10 HDEE NCCOCCOCCOCCOCCNC(=O)OC[C@H]1[C@H]2CCC#CCC[C@H]21 169724516 WNEJNBMHXJOIIL-ACDBMABISA-N 412.527 1.177 30 10 HDEE CC(C)CN(C(=O)CN1CC[C@H](Oc2ccc(C#N)cn2)C1)[C@H]1CCS(=O)(=O)C1 428810122 XMPHZCFMSOOLRV-ROUUACIJSA-N 420.535 1.078 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccc(C#N)o2)c(=O)n1-c1ccc(F)cc1 440380488 GPPRRNDZDGIZOH-UHFFFAOYSA-N 420.425 1.284 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(CC#Cc3ccccc3Cl)CC2)C[C@@H](C)O1 441162709 CBKBKOJMHKGPJY-CALCHBBNSA-N 411.955 1.663 30 10 HDEE Cn1ccnc(N2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)c1=O 465238284 KGTUFMKYVHISPP-UHFFFAOYSA-N 422.489 1.156 30 10 HDEE CC(C)(COCC(F)F)C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 468404611 DSWSYOBPAQOOLQ-UHFFFAOYSA-N 415.462 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](OCCN3CCCCC3)C2)cc1 469928392 PBZLUQKYJJANHA-IBGZPJMESA-N 421.563 1.868 30 10 HDEE CC[C@@H]1CN(CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C[C@]2(CCOC2)O1 483158664 VFUXRTPXLFGERA-LQWHRVPQSA-N 418.563 1.727 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCCN(c3cccnn3)CC2)cc1 483461248 SKGCDYAAVPBKAL-OAHLLOKOSA-N 414.491 1.907 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CCCN(c4cccnc4)C3=O)C2)nc1 489983288 LIQHQLDZCQBMEA-QZTJIDSGSA-N 406.446 1.707 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc(F)c(F)cc2C(=O)OCC)CC1 506875844 QSXRQLVVCYVPFT-UHFFFAOYSA-N 410.421 1.593 30 10 HDEE CC1(C#N)CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)CC1 508446854 ASFQNHNRTIUVNL-QGZVFWFLSA-N 413.526 1.617 30 10 HDEE C=CCn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 508750392 YYEHQCCUOCQTSP-CQSZACIVSA-N 420.495 1.805 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCC1CCOCC1 508918175 LQXOHQSNBRNDHX-INIZCTEOSA-N 413.544 1.050 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 522843910 UGDJLYPDWOTNHD-UHFFFAOYSA-N 401.511 1.585 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc(CN3CCCCC3=O)c2)CC1 524856886 WNMPLMDBXFUGRV-UHFFFAOYSA-N 413.522 1.651 30 10 HDEE CCNS(=O)(=O)[C@@H]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 540006374 BXPIDCVCVCNBAY-JKSUJKDBSA-N 408.524 1.344 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@H](c3ccccc3)N3CCC(O)CC3)CC2)n1 544868135 YFKOEGIZEIHIQI-QFIPXVFZSA-N 405.502 1.800 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCc3cccc(CN4CCOCC4)c3)CC2)n1 546880060 SDUQJWGVEYFAOO-UHFFFAOYSA-N 420.517 1.817 30 10 HDEE N#Cc1ccccc1N1CCN(c2nnc([C@@H]3COCCO3)n2C[C@@H]2CCOC2)CC1 550024890 OBQPACUQQUUGLN-PXNSSMCTSA-N 424.505 1.601 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)cc1 557979703 JMFBNXPTOKKZAU-MSOLQXFVSA-N 418.453 1.324 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 558699648 ZQPMQSOYZLOPNL-HNNXBMFYSA-N 403.435 1.656 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 558985825 DYNRREUSUORISU-CABCVRRESA-N 406.512 1.517 30 10 HDEE C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@H](c2ccc(F)cc2)O1 568575712 LTFXHICFDPYETG-AUUYWEPGSA-N 417.462 1.964 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)N(C)CCCC)cc21 586360631 UWTGYTRHUBYQHF-NDEPHWFRSA-N 406.504 1.788 30 10 HDEE C[C@H]1CCN(C(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C[C@@H]1n1ccnc1 587664401 IDGKXYLGKZXMPP-LPHOPBHVSA-N 421.505 1.344 30 10 HDEE CC(=O)Nc1ccc(NS(C)(=O)=O)c(C(=O)NCc2ccc(C#N)cc2F)c1 609442005 QUPHYZJSLLPEHF-UHFFFAOYSA-N 404.423 1.957 30 10 HDEE COc1ccc(C(=O)NCC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1 610926867 PPXCXSZQBDUNIX-FQEVSTJZSA-N 410.449 1.973 30 10 HDEE CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)NCc1ccc(C#N)cc1F 612846323 YUKPEMBSJUYTBF-UHFFFAOYSA-N 407.398 1.885 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H]1CC[C@@H](N2CCN(C)CC2)CC1 613078499 QRFJCISUSCIMLQ-BGYRXZFFSA-N 423.565 1.825 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(CCCc2cnn(C)c2)C1=O 726738281 SXPXCQPKEKEABZ-QGZVFWFLSA-N 410.503 1.992 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1cccc(C)c1 727415458 QKCXUZVWAFOGIN-UHFFFAOYSA-N 409.467 1.066 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cnn(Cc3ccccc3)c2)c(=O)n1C[C@@H]1CCCO1 731233243 UQTMGBSGQIGOIY-IBGZPJMESA-N 417.494 1.360 30 10 HDEE O=C(Cn1c(C(F)(F)F)nc2ccccc21)NCCN/C(O)=C1\N=CC=CC1=O 732156525 PFOIRFCXVSKFFI-FOCLMDBBSA-N 407.352 1.698 30 10 HDEE C[C@@H](OC(=O)CN1CC(=O)NC1=O)C(=O)Nc1sc2c(c1C#N)CCCCC2 732355643 RGJGXMJNQKONJC-SNVBAGLBSA-N 404.448 1.311 30 10 HDEE C[C@@H]1CN(c2ccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 732429220 FJXDMSXBXDOELX-JCFLCSRNSA-N 413.478 1.948 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)CCN1C1CC1 732706825 RQLGHQGNLOMFBY-HXUWFJFHSA-N 423.517 1.379 30 10 HDEE CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c1 734954062 DXAJYSPXMDXPEO-YRVHBCJASA-N 416.547 1.871 30 10 HDEE COC(=O)[C@H](OC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O)c1ccc(C#N)cc1 740198361 FGSRQZCNTALYML-PJUBBZNESA-N 413.430 1.816 30 10 HDEE CCN1CCC(CCNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742706663 LOHWBJODAZQAJQ-OAHLLOKOSA-N 406.552 1.742 30 10 HDEE COC(=O)c1cc(COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c(C)o1 745495942 KPRTXCACANBFCZ-LLVKDONJSA-N 420.443 1.935 30 10 HDEE CO[C@@H]1CC[C@@H]2OCCN(C(=O)C[C@H](C)/N=C3/NS(=O)(=O)c4ccccc43)[C@@H]2C1 755201629 DSWGFZGYMOAUSO-ABFRBSLYSA-N 421.519 1.299 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)[C@@H]3CC(c4ccccc4[N+](=O)[O-])=NO3)CC2)n1 760800221 QQQVWTCCRSKTSD-SFHVURJKSA-N 406.402 1.703 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N(Cc2nnnn2CC2CC2)C1=O 769745489 JGBKQKGZUXHCMS-OAHLLOKOSA-N 424.490 1.223 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)Cc1cc(C)c(OC)c(C)c1)c1cc[nH]n1 772176640 SLDDSHRPDMLTFU-UHFFFAOYSA-N 402.451 1.978 30 10 HDEE Cc1cccn2c(=O)c(C(=O)[C@H](C#N)C(=O)Nc3ccc(C(=O)N(C)C)cc3)cnc12 773772999 ZRDKAQIGKRJDHB-INIZCTEOSA-N 417.425 1.666 30 10 HDEE C#C[C@H](NC(=O)N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1)[C@H]1CCCO1 776226882 HPQLYYCNLHABNI-ZWKOTPCHSA-N 417.506 1.720 30 10 HDEE COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)cc1 778069244 FUFSJQFCYYIDJE-UHFFFAOYSA-N 401.448 1.642 30 10 HDEE COc1ccc(CNC(=O)C(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1C#N 787278299 UTIWNHGVEQTFBO-UHFFFAOYSA-N 422.363 1.836 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)OCC(=O)OCC(F)(F)F 788880806 FDDYTCDPEQQDLA-UHFFFAOYSA-N 408.354 1.154 30 10 HDEE COc1ccc([C@@H]2CCCN2C(=O)COC(=O)[C@H](C)n2cnc(C#N)n2)c(OC)c1 798744039 HEMNJYWBNDASJK-BBRMVZONSA-N 413.434 1.635 30 10 HDEE CCOC(=O)COc1ccc(NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)cc1 800559616 GLPNTTUJBRTVKK-ISLYRVAYSA-N 402.407 1.276 30 10 HDEE COC[C@@H](O)CNC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 801672343 QUFNOXFEXNRWSN-MUNYZGMTSA-N 412.512 1.408 30 10 HDEE N#CCOc1ccc(CNC(=O)N[C@H]2CCN(S(=O)(=O)c3ccccc3)C2)cc1 806716684 XZTSCVCQRSYBJE-KRWDZBQOSA-N 414.487 1.851 30 10 HDEE C[C@@H](CC(=O)NCc1c2c(nn1C)CCCC2)/N=C1/NS(=O)(=O)c2ccccc21 812559446 QZWHTMAFCWJWBD-ZDUSSCGKSA-N 415.519 1.432 30 10 HDEE Cc1ccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)cc1 1083958912 SWPHDTZVGMSFGH-UHFFFAOYSA-N 413.463 1.888 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 1125843053 WMEDWBXBURIIKF-LJQANCHMSA-N 422.551 1.422 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C2CCC2)cc1 1130016738 ZRJSHBRJIWOOGK-SFHVURJKSA-N 424.544 1.803 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c1 1136415771 OOELLGDOZAVDEN-UHFFFAOYSA-N 405.497 1.817 30 10 HDEE Cc1ccc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1138703827 ZQCMMTILCGBHLF-IAGOWNOFSA-N 402.344 1.821 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N1CC[C@H](O)[C@@H](CO)C1 1142378621 LNUSGEOVEHJJBM-NZSAHSFTSA-N 415.490 1.594 30 10 HDEE C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1146221957 VRZXIOJOVYZMAT-IFXJQAMLSA-N 417.487 1.023 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCN(CCc4ccncc4)CC3)CC2=O)cc1 1150245597 DEJFIQQIKXOSBO-FQEVSTJZSA-N 403.486 1.693 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3C[C@@H]4CCC[C@]4(C(N)=O)C3)C2)C1 1157463896 ZRZGMZKJEXMSPK-HXGMYKGLSA-N 416.522 1.887 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1165488832 FGFYWUOBEMPOKI-KXBFYZLASA-N 401.488 1.726 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCCC[C@@H]1CS(N)(=O)=O 1169750897 BCZQNSMOAWDLCG-OLZOCXBDSA-N 409.936 1.692 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCC#CCN(C)C 1170984356 MUQFCTCAWULNSS-FQEVSTJZSA-N 401.532 1.824 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCC[C@@H]1CC[C@H](C(F)(F)F)O1 1177347200 XPIVAERELYQCKF-CORIIIEPSA-N 419.425 1.841 30 10 HDEE C#CCN(Cc1ccc(C(=O)OC)c(Br)c1)[C@@H]1CCS(=O)(=O)C1 1204722218 RPMGOESACPPWEB-CYBMUJFWSA-N 400.294 1.858 30 10 HDEE C#CC1(O)CN(C(=O)Nc2cc(I)cc(C(=O)OC)c2)C1 1216332134 VGALTNNTKRBYTP-UHFFFAOYSA-N 400.172 1.290 30 10 HDEE CC(C)N(C[C@@H](O)COc1ccc(CC(N)=O)cc1)C(=O)NCC1(C#N)CCCC1 1230586484 ZLWRBJDIOWTRTN-GOSISDBHSA-N 416.522 1.958 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@](C)(CNC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)C1 1255063050 RBAVGQCOYBKKMV-JXFKEZNVSA-N 407.515 1.394 30 10 HDEE Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1264635262 YEBYUYFDJSLSNJ-HKWRFOASSA-N 420.451 1.551 30 10 HDEE CC[C@](C)(C(=O)OC)N(CC1CC1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1276688111 JPMRCHMJYSKAET-LJQANCHMSA-N 407.492 1.305 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C2CCOCC2)C1 1286343460 VGNLROIYWBXQSL-RDJZCZTQSA-N 409.556 1.555 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1286395004 YOMVZGBGCKQJOY-AWEZNQCLSA-N 413.341 1.766 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCCC1 1286432718 VFOIQUHCIGLHGN-HXUWFJFHSA-N 410.566 1.984 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc(N(C)C)cc1 1286448190 RBAOINDORKVWGH-GOSISDBHSA-N 415.563 1.948 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1ccoc1 1286463404 NTBIUBRJQKGKNJ-UHFFFAOYSA-N 404.434 1.648 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1286470629 AOUSIDUKAGKNFR-RJCBAWPRSA-N 411.510 1.073 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCN1c1cnn(C)c1 1286772311 AXDJWYUXBHZBPA-QZTJIDSGSA-N 415.542 1.823 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCC(=O)NC1CC1 1288124098 BHXDYIOQFXAQIV-FQEVSTJZSA-N 401.515 1.605 30 10 HDEE COc1ccc(CNC(=O)Cc2csc([C@H]3CCS(=O)(=O)C3)n2)cc1C#N 1288289601 SAGAYMMTMNYKPC-ZDUSSCGKSA-N 405.501 1.784 30 10 HDEE CC(C)OC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CCO1 1288352371 CKSPEUVSRWCCQH-MOPGFXCFSA-N 424.505 1.726 30 10 HDEE Cc1c(C(=O)NC[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)cnn1CCC#N 1295198907 OSMZJLZSXRZXJZ-RBUKOAKNSA-N 406.490 1.434 30 10 HDEE CC(C)(C)OC(=O)N1Cc2n[nH]cc2[C@@H]1C(=O)NCc1ccc(C(=O)NO)cc1 1297057969 SNFOPYZWRWETMF-OAHLLOKOSA-N 401.423 1.637 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1300372101 MQOGPIFZHGGMQW-IBGZPJMESA-N 414.554 1.505 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1300505627 DEQZZAZFESYFLZ-RCCFBDPRSA-N 421.567 1.097 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1CC1(O)CC(OCC)C1 1300621593 NQWODIORMWNITI-UHFFFAOYSA-N 422.489 1.983 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@](C)(O)c2ccccc2)CC1 1300681702 ZCULQVDJQCWIMX-JOCHJYFZSA-N 410.522 1.079 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CSCCS2)CC1 1300703679 PJKDJNJYPMIEFW-GOSISDBHSA-N 414.604 1.868 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CC[C@](C)(C#N)C2)cc1 1301266475 WUZRQCAYMCDRNW-IMFGXOCKSA-N 405.520 1.696 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1301450066 MWMKMZMIGQQVSY-QFBILLFUSA-N 410.526 1.300 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCN([C@H](C)c2nccs2)CC1 1301467048 ALMCOYGPQFQHSK-OAHLLOKOSA-N 401.540 1.926 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1301490166 LWTFBHKACHKVLY-HNNXBMFYSA-N 423.926 1.524 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC(C)(C)CC1 1301587370 UURIWPVHZDCBSH-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCOC[C@H](C2CCC2)C1 1301596277 KEYLHOXMLWXRLA-QZTJIDSGSA-N 424.567 1.983 30 10 HDEE CC(=O)N1CCC[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)C1 1301688904 YMNHITCTWRFMCG-BZSNNMDCSA-N 402.499 1.159 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2=NOC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C1 1303559151 VQYDLHUVAIAOLB-MRXNPFEDSA-N 404.511 1.746 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](C)N2CCOCC2)C[C@@H]1O 1303701626 ZITSFHNWLUHVQL-HLIPFELVSA-N 410.522 1.745 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CCCO2)C1 1303932895 BHUAHANISZOCAL-LZQZEXGQSA-N 407.540 1.879 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2)c(F)c1 1304660182 JKJFPMGBJNFWDM-RTWAWAEBSA-N 400.498 1.971 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CCCOCC(C)C)n1 1304762099 DJYZEMYNVGLEHV-SFHVURJKSA-N 401.515 1.931 30 10 HDEE CC1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1305094131 PIRPWLYQSDZQPE-RJCBAWPRSA-N 414.510 1.935 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1cc(OC)c(Br)cc1OC)C(=O)OC 1309574257 VQANXDIBMYFOLT-SNVBAGLBSA-N 406.254 1.310 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@@]1(O)CCOC1 1316280862 PGAZYVOVWGFAHS-ZWOKBUDYSA-N 405.499 1.284 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCc3nc(CC(=O)N4CCCC4)no3)C2=O)cc1 1321227125 VXYIUILEEZYCDM-HNNXBMFYSA-N 408.418 1.164 30 10 HDEE C=CCCn1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)nn1 1355865805 CKEAUIAUVPYXGD-UHFFFAOYSA-N 403.508 1.959 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](c1ccc(C)cc1)N(C)C 1358949231 WKRCTXJITBUVSD-RBUKOAKNSA-N 415.563 1.861 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)c1cccs1 1358968503 NUHYEVADXSWRJH-UHFFFAOYSA-N 410.503 1.078 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(O)CCOC1 1358997811 FXSZEPLHUWKBRY-JOCHJYFZSA-N 405.458 1.343 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCC1(O)CCOCC1 1359004703 GNSZJBDPCUWEMH-UHFFFAOYSA-N 422.493 1.312 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc([C@H]3CCC(=O)N3)n2CC2(C)CC2)n1 1359028471 TZPQDSVXESTOHC-QGZVFWFLSA-N 411.510 1.512 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](OCCC)CC1 1359291072 DAXMPMWYUAXJQF-KRWDZBQOSA-N 418.542 1.602 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](NC(=O)CCC)C1 1359297030 CBPYRQLKWWZYFA-INIZCTEOSA-N 413.526 1.471 30 10 HDEE CC[C@@H](C#N)Oc1cccc(CNC(=O)c2c3c(nn2C)CCS(=O)(=O)C3)c1 1360356664 FDBSUUYFMMWSGZ-AWEZNQCLSA-N 402.476 1.502 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)NCCNS(=O)(=O)c1cccnc1 1435737397 KYMYULNOMBFQHN-UHFFFAOYSA-N 423.292 1.353 30 10 HDEE COC(=O)[C@@H](C[C@H]1CCCO1)NC(=O)COc1cccc(Br)c1C#N 1439204965 MJLVJKRLUOFVGK-BXUZGUMPSA-N 411.252 1.926 30 10 HDEE Cc1cccc(N2C[C@H](C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)CC2=O)c1C 1439792857 AFSQCJYKPSJTEU-GQIGUUNPSA-N 401.488 1.053 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1449530064 QWCJLIHHRVXULL-RRFJBIMHSA-N 411.499 1.390 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 1455116367 YCZOQEJIDSFKBP-UHFFFAOYSA-N 409.939 1.764 30 10 HDEE C[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccc(C#N)cc32)C1=O 1460696351 AQLMYIHUWHKIFT-OAQYLSRUSA-N 403.398 1.311 30 10 HDEE C=CC[S@](=O)(=NC(=O)c1cc(C)c2c(=O)n(C)c(=O)n(C)c2n1)c1ccccc1 1463270783 KSDTYDFYGCDVCA-GDLZYMKVSA-N 412.471 1.794 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccnc(-c3ccccn3)n2)c1 1464376786 LYFCQGWCQOUCCS-UHFFFAOYSA-N 409.471 1.933 30 10 HDEE CN(C)C[C@]1(O)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1467711398 MWRIAZQVLPCUSC-KKJIAGKASA-N 420.554 1.688 30 10 HDEE CO[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)Cc1ccccc1 1468220348 FQLXSHJKFHKWBY-QAPCUYQASA-N 401.488 1.599 30 10 HDEE C=CCC1(O)CCN(C(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)CC1 1471936077 SOEBZMPWVBSQKR-UHFFFAOYSA-N 407.517 1.841 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](CC)[C@@](F)(C(=O)OCC)C2)c1 1475668208 LXJHGFDHXTWBJL-HNAYVOBHSA-N 412.483 1.904 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 1475697415 MJCCQCOWEJABPB-HNNXBMFYSA-N 404.529 1.355 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCCN(c4ccccc4F)C3)C2)c(=O)nc1O 1478354919 ILDCOCGDVZYQII-AWEZNQCLSA-N 412.425 1.195 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)NCC3C[C@@H]4CC[C@H](C3)S4(=O)=O)CCO2)c1 1479218828 WMHKZJKIMBGUGI-DQXYTYHJSA-N 403.504 1.997 30 10 HDEE C#CCC[C@@H](O)CNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1479456089 YHPIJZBOBZAOET-HUUCEWRRSA-N 403.483 1.347 30 10 HDEE Cc1ccc(OCc2nnc(N(C)C[C@H](C)C#N)n2Cc2cn(C3COC3)nn2)cc1 1492319831 FRCCPIGISGUVKM-MRXNPFEDSA-N 422.493 1.973 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1504599607 RSRGZUACXBYLQJ-JKSUJKDBSA-N 407.471 1.425 30 10 HDEE COCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1504826210 PEDHETVCJDLIQN-KRWDZBQOSA-N 409.494 1.464 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)cc1 1507514813 FAZIKQCTOZOANY-HZPDHXFCSA-N 419.551 1.988 30 10 HDEE C#CCN(C)c1nnc(C2(c3ccccc3)CCC2)n1CCNS(=O)(=O)CC 1507601516 GQLZHHOMMGQEKO-UHFFFAOYSA-N 401.536 1.757 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC(=O)NCCC)[C@@H]1CCS(=O)(=O)C1 1507629670 OGGNTIODEUGBRE-QGZVFWFLSA-N 415.519 1.098 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1507632309 YZOVQJGQNQNDDA-GJZGRUSLSA-N 405.549 1.653 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1507689358 KABCOWISLPWWCR-QGZVFWFLSA-N 421.567 1.432 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@]1(O)CCO[C@H]1C 1507714708 STKYGOCLBVGWBI-AVRDEDQJSA-N 414.506 1.791 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCOc2ccc(C)cc2)CC1 1507723934 ZRVZKMCTTGWRQC-UHFFFAOYSA-N 403.490 1.878 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 1507836829 AXAKUNFBFUTLKY-WOYTXXSLSA-N 409.556 1.716 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCCN(c2nccs2)CC1 1508096468 GXVLFBAFPODZTE-OAHLLOKOSA-N 417.539 1.605 30 10 HDEE CN(CCOC(C)(C)C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1517339525 MPHMYAVZRARKLG-CQSZACIVSA-N 421.523 1.944 30 10 HDEE Cc1c(C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cnn1CCC#N 1526564077 QJMXHIMYIUOYKC-UHFFFAOYSA-N 416.507 1.294 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 1526784678 XHNHVERLULCIFY-YEJXKQKISA-N 421.461 1.887 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CN1CCCC2(CC2)S1(=O)=O 1526903581 HMOQDXDJALZDQZ-UHFFFAOYSA-N 404.536 1.407 30 10 HDEE CS(=O)(=O)CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(F)c(C#N)c1 1529689999 FKUOMFVPBXPJHT-UHFFFAOYSA-N 410.448 1.768 30 10 HDEE Cc1c(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)nn1C 1530306624 PBMNGEBDXMRNKJ-LBPRGKRZSA-N 404.496 1.612 30 10 HDEE C#CC[C@]1(C(=O)N2CCn3c(COC)nnc3C2)CCCN1C(=O)OC(C)(C)C 1531539293 BPHUMGBLQIABND-HXUWFJFHSA-N 403.483 1.560 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CCC1 1539071812 DYLIOCBNVFBNBX-QGZVFWFLSA-N 409.556 1.651 30 10 HDEE C#CCN(C)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(N(C)C)CCSC1 1539147826 KIEXNNXJBXXKRH-UXHICEINSA-N 407.584 1.825 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(O)CCc2ccccc21 1539266205 NNUIBIGXCJQMGD-XMSQKQJNSA-N 424.526 1.087 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1CCNC(=O)C(C)(C)C 1539299864 NXAXGKZKMRMJJC-JOCHJYFZSA-N 415.538 1.555 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCNS(=O)(=O)CC 1539320163 PUOBCSBRROPUJB-UHFFFAOYSA-N 410.503 1.219 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(-c3ccccc3)on2)n1Cc1nncn1C 1539408859 FVWBCJWVQWFCEG-UHFFFAOYSA-N 418.461 1.863 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc3c(c2)COCC3)CC1 1539427361 CDAKBDZKIIWLEG-UHFFFAOYSA-N 422.533 1.293 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCCN(C(=O)C2CC2)CC1 1539490613 GLQUHGAOJAFMJL-UHFFFAOYSA-N 418.567 1.231 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2ccco2)C1 1539491336 OUYWILCWGVXGPP-MRXNPFEDSA-N 403.508 1.954 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540020994 YOPPLVUWTMCFAP-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCC(NC(=O)C(C)C)CC1 1540867820 JDLQBJDHBQFPQQ-UHFFFAOYSA-N 411.510 1.383 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1C[C@@H](COC)O[C@H](C)C1 1540872104 CNYYQHPNTXSIEP-WBVHZDCISA-N 417.485 1.550 30 10 HDEE C#CCN(CC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)C(=O)OC(C)(C)C 1542209552 FQMRMDBSIMAUJR-GOSISDBHSA-N 414.506 1.945 30 10 HDEE Cc1ccc(NC(=O)c2nnc(N3CCNC(=O)C3)n2Cc2ccc(C#N)o2)cc1C 1542431124 NSTZWHGYMWMPLR-UHFFFAOYSA-N 419.445 1.596 30 10 HDEE C[C@H](Cc1cnn(C)c1)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1543496911 HKKWCJSQSAKHEB-OAHLLOKOSA-N 415.519 1.440 30 10 HDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](C(=O)NC)C1)C1CC1 1547582631 HILJTSZBBSYMNY-IBGZPJMESA-N 423.521 1.252 30 10 HDEE CCOCc1nnc(N2CCC[C@](C)(C#N)C2)n1CCCN(C)S(=O)(=O)CC 1548144255 DSZSPCBGYYOBJQ-GOSISDBHSA-N 412.560 1.616 30 10 HDEE COC[C@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1555271590 JIAGKYNAKAWVRK-QGZVFWFLSA-N 424.484 1.861 30 10 HDEE COC[C@@H]1[C@H]2CCN(c3nnc(-c4ccc(C#N)cc4)n3CCS(C)(=O)=O)C[C@H]21 1555757491 FUBYVXHHDZYREF-RCCFBDPRSA-N 415.519 1.580 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CC[C@@H](Oc2cncc(Br)c2)C1 1561802938 BFDWLRMONWDNQK-WCQYABFASA-N 403.302 1.776 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 1562370626 OFGAUIXRHUMMHS-SFHVURJKSA-N 405.520 1.858 30 10 HDEE CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)c2ccc(C#N)cc2F)CC3)CC1 1568833772 PIKFJZNFMPOKNS-MRXNPFEDSA-N 424.480 1.274 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CN(C)CCN1C 1586538342 GAEBGWQVQLKGHS-UGSOOPFHSA-N 420.355 1.507 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@@H](O)CC3(CCOCC3)C2)s1 1588190833 PKJGASRPMMHWNH-AWEZNQCLSA-N 414.549 1.145 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(C[S@](C)=O)cc1 1588224010 MNUPYYJUVBQKME-ADSBAMQRSA-N 423.542 1.619 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CCCS(C)(=O)=O 1589652705 ZIGBZYULRUFPCZ-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1 1589669342 QWUGUEBJWIFUGH-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1594115135 NKZUTMXVZYDCAW-GOSISDBHSA-N 416.551 1.702 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(Br)cc2)n1CCNS(C)(=O)=O 1594907368 UTYZIHAKJBFCFK-UHFFFAOYSA-N 414.329 1.879 30 10 HDEE C=CCC1(O)CN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2CC)C1 1595700311 WNXIXXBVVCKSGB-UHFFFAOYSA-N 420.535 1.389 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)NC)CC1 1595905438 KLHNHJRFMHIGMN-HOTGVXAUSA-N 424.571 1.383 30 10 HDEE O=C(C#Cc1cccs1)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 1596291007 PFFZXBMZNGEDCU-MRXNPFEDSA-N 404.513 1.873 30 10 HDEE C[C@]1(C(N)=O)CCN(c2nnc(COc3ccc(C#N)cc3)n2CC[C@H]2CCOC2)C1 1611778036 AWMYMEZPGXKRRH-JTSKRJEESA-N 424.505 1.857 30 10 HDEE Cc1nc([C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CC(C)(C)O)CCO2)no1 1612385833 HFAWSDISLNVEGZ-INIZCTEOSA-N 409.450 1.857 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1([S@@](C)=O)CCC1 1613987648 VKDUCEAEZXYVCG-MUUNZHRXSA-N 400.508 1.677 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1614978254 FPXDSDHHZVGROW-KRWDZBQOSA-N 407.478 1.154 30 10 HDEE C#CCN(CC(=O)NCc1ccc(S(=O)(=O)CCOC)cc1)C(=O)OC(C)(C)C 1615428185 ZGTLBQDKDBHDBM-UHFFFAOYSA-N 424.519 1.593 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN3CCOC[C@H]3C2)n1Cc1ccc(C#N)o1 1620022961 XFFXWUQQJZEJIC-JKSUJKDBSA-N 416.482 1.036 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCCO[C@H]1CCOC1 1620095284 VOLPIWONGSTRKF-FHWLQOOXSA-N 419.526 1.938 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[C@H]2COCCO2)cc1 1620350594 MGSUSBRNILHUHG-MSOLQXFVSA-N 410.478 1.324 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCC2(C#N)CCOCC2)cc1 1622666490 BUFSZDNYNOTSAT-UHFFFAOYSA-N 415.537 1.316 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H](Cc1ccc(F)cc1)C(N)=O 1631222902 ZYNZJSPEQAZDAF-RDJZCZTQSA-N 405.470 1.893 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)OC)c1cc[nH]n1 1635295653 RPRICCGCRXTXKT-CXAGYDPISA-N 416.434 1.360 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2ccc(Oc3ccc(C#N)cn3)cc2)c1=O 1635762146 QCEDKQJCEYEULC-UHFFFAOYSA-N 405.414 1.426 30 10 HDEE COC(=O)CCN(CC#N)C(=O)C1([C@@]2(O)CCCN(C(=O)OC(C)(C)C)C2)CCC1 1635948434 BNFHOZPVUNJYOX-OAQYLSRUSA-N 423.510 1.834 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC(C)(C)CC(=O)OC(C)(C)C 1636059931 AOZDGPQKWLLCCS-ZDUSSCGKSA-N 409.508 1.852 30 10 HDEE Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2cn(C)c(=O)nc2O)cc1C 1636257767 NAPSWSMAEWIULO-UHFFFAOYSA-N 406.446 1.810 30 10 HDEE C#C[C@H](CO)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)s1 1636622588 KLINZVMVHSSDNV-MNOVXSKESA-N 421.338 1.164 30 10 HDEE COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1637884785 BGZILGAEEOYHFQ-RBUKOAKNSA-N 420.535 1.107 30 10 HDEE C[C@](O)(CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)c1cccc(F)c1 1638727223 NIBHEIQLERTMMC-GCJKJVERSA-N 424.432 1.926 30 10 HDEE O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)N[C@H]1CCCN(O)C1=O 1641524423 CUCLPOJPLUSPLV-ZDUSSCGKSA-N 423.413 1.260 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(CCCF)CC1 1643478897 KBKNLOPLXCTAGJ-QGZVFWFLSA-N 424.542 1.788 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 1643725532 DGAVPNXRXSVDDJ-KRWDZBQOSA-N 416.547 1.734 30 10 HDEE Cc1c(C#N)c(=O)n(Cc2ccc(C(=O)Nc3ccccc3)cc2)c(=O)n1CCO 1644183259 CSDUALLFUSFXLU-UHFFFAOYSA-N 404.426 1.483 30 10 HDEE C[C@H](Sc1nc(CC(=O)N2CCc3c(sc(N)c3C#N)C2)cs1)C(N)=O 1646255280 MRRFXSFQRYYYPZ-QMMMGPOBSA-N 407.546 1.752 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1648072893 MVCANTPUMUUHLB-IAGOWNOFSA-N 403.527 1.929 30 10 HDEE Cc1cc(N2CC(S(=O)(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)ncc1C#N 1650817494 DIUXDRBOCHKKCH-UHFFFAOYSA-N 421.523 1.333 30 10 HDEE C#CC[C@H](COC)NC(=O)CSc1nnc2n(CC=C)c(=O)c3ccccc3n12 1651176628 BTJTYFCTEAIWLO-CQSZACIVSA-N 411.487 1.477 30 10 HDEE C#CC1(O)CN(C(=O)c2cccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)c2)C1 1653281283 GCYAODXNEYPRFZ-UHFFFAOYSA-N 414.439 1.079 30 10 HDEE Cn1cc(C#N)c(NC(=O)N2CCC(N3C[C@@H](C(=O)OC(C)(C)C)CC3=O)CC2)n1 1659578847 BCDBWVIJGHABIO-ZDUSSCGKSA-N 416.482 1.478 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@](C#N)(c2ccccn2)C1 1659720339 TYCUPHNGVKKTMC-AVRDEDQJSA-N 405.506 1.466 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)N1CCN(c2nc(N)nc(C3CC3)n2)CC1 1666342497 GLVVBQKJQVMNBD-UHFFFAOYSA-N 408.466 1.956 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccn(CCN2CCNC2=O)n1 1674956909 KEYSPQKXUAMABB-UHFFFAOYSA-N 402.455 1.604 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)n1 1682992203 PXFLPKHWKKTXRD-QGZVFWFLSA-N 405.499 1.684 30 10 HDEE C#CCN(C(=O)NCC(=O)N=S(C)(C)=O)C1CCN(C(=O)OC(C)(C)C)CC1 1683218030 BCQOFWNAXUUPJK-UHFFFAOYSA-N 414.528 1.285 30 10 HDEE N#Cc1ccc(CNC(=O)NC[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)s1 1683452236 MDFVOCXVUDHRSM-CYBMUJFWSA-N 400.460 1.744 30 10 HDEE C[C@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1cc(F)ccc1N(C)C 1684840163 PMTXSMUOWDQYHR-NSHDSACASA-N 400.414 1.353 30 10 HDEE C=C1CCC(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 1685166228 MMFFKPKZMSLFRN-UHFFFAOYSA-N 400.527 1.891 30 10 HDEE C[C@@]1(C#N)CN(C(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)CCO1 1686286211 KAQIUEHQAQHYPH-OAHLLOKOSA-N 405.398 1.933 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N3CCCc4ccccc43)CC2)C1 1687593734 XTERPAAETVHUQW-NRFANRHFSA-N 423.561 1.391 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCCN(C(C)C)CC1 1689892389 DMHUIDWZEULSNS-GOSISDBHSA-N 407.584 1.904 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC=C(C)C1 1689892532 HSMUIKSELCXIDS-QGZVFWFLSA-N 407.540 1.571 30 10 HDEE C#CCN(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1689972260 JIGFJEFXFLUXBI-UHFFFAOYSA-N 400.508 1.290 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CC(=O)NCC2CC2)CC1 1690128724 IPAHEZVEQROCIT-UHFFFAOYSA-N 422.533 1.159 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1690360974 DGLLQJOVSDKSNG-CQSZACIVSA-N 410.906 1.055 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1690373138 AHQLMWSPIYQOCB-RJCBAWPRSA-N 412.494 1.855 30 10 HDEE C=CCCOCCn1c(COCC)nnc1N1CCN(C(=O)N2CCCC2)CC1 1690511244 UXBMWUOMSLZECS-UHFFFAOYSA-N 406.531 1.745 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N(CC)Cc1nc(O)c2sccc2n1 1690672239 MBUBWQFTUNGCIB-UHFFFAOYSA-N 401.496 1.880 30 10 HDEE COCC1=CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1697824800 LOBLYYFKCHCBSD-ZZEZOPTASA-N 423.477 1.583 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CCSCc2ccccc2)CCO1 1698492240 ABMWJYFPRGHMAE-DLBZAZTESA-N 412.519 1.891 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2c(F)cccc2F)n1CCCn1cnnn1 1705597617 LPQLFJKYPLYRND-UHFFFAOYSA-N 410.432 1.687 30 10 HDEE C#CCN(CC)c1nnc(Cc2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1705615719 GFHNQWPDKJNYQT-UHFFFAOYSA-N 400.508 1.359 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(N(C)C)CCC2)CC1 1705634963 NRVXEKMAOZEGOZ-QFIPXVFZSA-N 416.570 1.170 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2N(C)CCCC2(C)C)CC1 1705638799 XFYPORMAYAJXHU-ROUUACIJSA-N 413.570 1.105 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1705660092 MNLXTVRBCZXPST-HOTGVXAUSA-N 407.540 1.226 30 10 HDEE C#CCSCCn1c(N2CCNC(=O)[C@@H]2CC)nnc1[C@]1(OC(C)C)CCOC1 1705665252 OGTYKUVJCZDWQF-JXFKEZNVSA-N 421.567 1.400 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(Cc2cscn2)CC1 1705897036 DUZOKCKSCATYSH-OAHLLOKOSA-N 403.556 1.873 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC(CNC(C)=O)CC1 1705900424 CYFURBBUDGPVMX-UHFFFAOYSA-N 411.510 1.303 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705948375 RDWADBVNSFAQFH-HXUWFJFHSA-N 415.567 1.918 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCCC2=O)C1 1705948528 WGEQIFNQQDYHMK-MRXNPFEDSA-N 418.567 1.521 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CCc1cccc2[nH]ccc12 1706625542 OFHPTXYUFUXTMV-MRXNPFEDSA-N 407.478 1.869 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(-c3ccccn3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1706934994 JPRQAJYTKZBGSL-YWZLYKJASA-N 408.466 1.458 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)C1 1706938445 LAKWNYYBACLOOB-LJQANCHMSA-N 404.421 1.800 30 10 HDEE Cc1nc(Cc2nnc(N3CC[C@@](F)(C#N)C3)n2CC2([S@](C)=O)CC2)cs1 1707755506 QFZOVXHMWZCWGY-JWIGPWBQSA-N 408.528 1.987 30 10 HDEE CC/C=C/Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN2C(=O)NC[C@H]2C1 1709404493 UMSAEDFNRZIUDD-IDOMTICXSA-N 407.478 1.909 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(C)(C#N)CC3)n2C[C@]2(C)COCCO2)CCOC1 1710450803 UACYWKPOVXSXOA-NHCUHLMSSA-N 419.526 1.866 30 10 HDEE CN(C)C(=O)CCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CC[C@](F)(C#N)C1 1710980923 WDVZWDGTVZZURA-SFHVURJKSA-N 401.402 1.774 30 10 HDEE COC[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](OC)[C@H](OC)C1)OC 1712150910 ABUMAHAOGNPNQD-OKZBNKHCSA-N 401.467 1.328 30 10 HDEE COCCNC(=O)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2C[C@@H]2C)CC1 1712505777 VNPXLOWXDKCYJK-LPHOPBHVSA-N 423.521 1.282 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CC1(O)CCC1 1722296960 WNARNZTZPCKRNM-CVEARBPZSA-N 419.526 1.959 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNC(=O)C(C)C)C1 1722337294 XPXMCQJJAQCGMW-IRXDYDNUSA-N 400.527 1.631 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1ccccc1C 1722381996 CVMHDLPESSMBOA-SFHVURJKSA-N 412.515 1.640 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1c1cc(NC)ncn1 1722409931 KKMSKDJWOGJNAI-MRXNPFEDSA-N 418.509 1.695 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCS2)CC1 1722431769 NVCJYQINFCUWRN-INIZCTEOSA-N 411.535 1.576 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCCN(C2CCCC2)CC1 1722697779 PDUMITNEAPAGBZ-UHFFFAOYSA-N 412.542 1.436 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@H]1C 1722701554 UODYTYGXMHFKCU-QGZVFWFLSA-N 410.522 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2Cc2cnn(CCOC)c2)C1 1722721708 JDCNGPVXIVOUHA-ZWKOTPCHSA-N 402.499 1.802 30 10 HDEE C=CCSCCn1c(N2CCN(C)C(=O)[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1722739066 DYBFGBNOSXWSLD-JXFKEZNVSA-N 423.583 1.905 30 10 HDEE Cc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCCNS(C)(=O)=O 1724580755 IHPMUWDYUBHZQL-UHFFFAOYSA-N 402.524 1.933 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCCCS(C)(=O)=O 1726403616 JFLHTWDPSSGUSI-UHFFFAOYSA-N 417.539 1.395 30 10 HDEE CCn1cnnc1Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C)[C@@H](O)C1 1728543410 WUZROIBALWWOBX-QAPCUYQASA-N 422.493 1.596 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1729222988 UQCGCKWCAFWGGJ-GJZGRUSLSA-N 418.523 1.370 30 10 HDEE COC[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1730465615 HKTMHTRPNGWBNR-OAHLLOKOSA-N 409.450 1.470 30 10 HDEE COCCCn1c([C@@H]2CCOC2)nnc1N1CCN(c2c(C#N)c(C)nn2C)CC1 1730704155 ZFQRDWBPHAYJMS-MRXNPFEDSA-N 414.514 1.059 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H](F)COC 1740540333 YSIJCEYIOJRMTR-UKRRQHHQSA-N 422.530 1.989 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740705658 KKMRXKNYKMEBHX-QGZVFWFLSA-N 400.527 1.065 30 10 HDEE Cc1cccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2C[C@]2(C)COCCO2)c1 1742364203 OMIGNGNLBWGCDZ-GHTZIAJQSA-N 413.478 1.700 30 10 HDEE CC1=CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(O)CCS(=O)(=O)C2)C1 1742470987 TWWXLDGFFLSDJK-HXUWFJFHSA-N 413.503 1.523 30 10 HDEE CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(C#N)CC2)C1 1745686392 HEBYYGMBUINYEA-ROUUACIJSA-N 420.583 1.652 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1745779155 HZAVUFHCANUCER-KRWDZBQOSA-N 409.494 1.448 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)NCC(F)F 1747241819 NJLKFHKIBAKROS-CVEARBPZSA-N 418.448 1.939 30 10 HDEE CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(C#N)o1 1747407408 QONDJLPXIKETTH-CQSZACIVSA-N 407.496 1.556 30 10 HDEE COC1(C)CN(c2nnc(-c3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1748482957 AENIVZDIJXQZSZ-HNNXBMFYSA-N 409.450 1.030 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1N1CCOCC1 1748662682 ZGIUBKWPXYXUKQ-MRXNPFEDSA-N 406.494 1.416 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC(C)(C)CN1CCCC1)[C@@H]1CCS(=O)(=O)C1 1748816059 WLEKAZBHOAZZGE-GOSISDBHSA-N 419.595 1.904 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](CC)N1CCCC1 1748824669 GZOJOCGGINFJKL-SFHVURJKSA-N 405.506 1.873 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCOC 1748970695 OBBODEKYGRLBHL-IYBDPMFKSA-N 407.515 1.781 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OCC)CCOC1 1749208721 AXAFASWWMITJQR-GHTZIAJQSA-N 416.526 1.917 30 10 HDEE C=C(C)Cn1c(N2CCN(C[C@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1749209470 ZADZYPWCGLRCNK-NQIIRXRSSA-N 405.543 1.665 30 10 HDEE C=CCCOCCn1c(N2C[C@@H]3CCC(=O)N[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1749461137 NYIKKTRQSSKINY-FVJLSDCUSA-N 419.526 1.238 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@]1(C)COCCO1 1749591239 OQSXEUUQHFXJAF-UWJYYQICSA-N 415.494 1.863 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1c(C)noc1C 1749600348 WNLJYYDYTXXEQK-INIZCTEOSA-N 423.539 1.667 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C(C)=O)C[C@@H]1C 1749677336 WHVXDIDKXNVUHL-SFHVURJKSA-N 424.549 1.813 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CC(=O)NC1CCCCC1 1749956564 ZLVAIZHPSBRMDA-YWZLYKJASA-N 422.505 1.893 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCN1CCOC[C@H]1C 1750070696 UMUWPEPDOKNXRE-HUUCEWRRSA-N 415.498 1.322 30 10 HDEE CC(C)[C@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@H](C)C#N 1750075117 BMJUHTPROMGXOV-YYIAUSFCSA-N 409.556 1.837 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)CCC1 1750256053 FCFZTLKORTZJGZ-OLZOCXBDSA-N 400.574 1.770 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1Cc1ncn(-c2ccccc2)n1 1751097023 BWCVHKOWKDPUNA-MRXNPFEDSA-N 419.493 1.768 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCCCS1(=O)=O 1760096924 WXFFCLHQPUHXRA-GJZGRUSLSA-N 416.507 1.351 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cccc(F)c1F 1760098400 RXXONUZYQNITCO-STQMWFEESA-N 411.478 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOc1ccc(Cl)cn1 1760117360 OBUGDLUOURYWIK-ZIAGYGMSSA-N 423.926 1.766 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)c(OC)c1 1760117920 VUVMODAUJNACOB-ZBFHGGJFSA-N 418.519 1.704 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1760239579 NMNKVBWFMQSDSM-HNNXBMFYSA-N 406.483 1.890 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1760322628 VMWGPDJPFCIJLE-OWSLCNJRSA-N 424.567 1.777 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCSC2(CCOCC2)C1 1760356260 JLZLHTYLZGVQGB-MRXNPFEDSA-N 421.567 1.924 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1760427868 KERBMGIMXMSMJX-BZUAXINKSA-N 407.540 1.251 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](CNC(C)=O)C1 1760428488 XPFMNPVEKMITPF-QZTJIDSGSA-N 423.583 1.889 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@@H](C)C(=O)NC2CC2)CC1 1760436268 NQTIPLBYUPUBAD-INIZCTEOSA-N 412.542 1.434 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](N2CCCC2)C1 1760523945 LKTMIBNNFGNVSH-ZWKOTPCHSA-N 402.543 1.539 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1760524027 NKDMOBKMEXDAKW-INIZCTEOSA-N 400.527 1.733 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C(C)=O)CC2)n1Cc1ccc(C#N)o1 1764174235 OUJKUMHTKWBGFV-UHFFFAOYSA-N 413.482 1.378 30 10 HDEE CN(C)CCOCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1766939283 ZPZCEIXDMPVGLE-FQEVSTJZSA-N 415.586 1.766 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1770357379 ZOWLXOLKIZBREI-UHFFFAOYSA-N 424.477 1.992 30 10 HDEE CSCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1770613750 OTCIPHGBBPOKCW-HNNXBMFYSA-N 400.508 1.793 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCCOC2)n1CCN1CCCS1(=O)=O 1770757357 XKEJUNIZDGHCIN-KRWDZBQOSA-N 422.555 1.338 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(C(N)=O)CC3)n2CCNC(=O)C2CC2)cc1 1771531846 FWLKIJXJKZQZDR-UHFFFAOYSA-N 407.478 1.045 30 10 HDEE Cc1cnc2n(c1=O)C[C@@H](C(=O)N1CCC(N3CCC(C#N)CC3)CC1)CS2 1849890606 JWNOQYOIIJMATE-MRXNPFEDSA-N 401.536 1.500 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C2CN(c3ncc(Cl)cn3)C2)CC1 1850170303 CPUWJPDESMOEMX-UHFFFAOYSA-N 411.897 1.866 30 10 HDEE O=C(NCC#CCN1CCOCC1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 1850333833 HTCZQSVGXVPKSV-UHFFFAOYSA-N 410.440 1.769 30 10 HDEE COc1cc(OC)cc(C(=O)Nc2nc(N3CCN(C)CC3)c(C#N)cc2C#N)c1 1851227809 MYUWTOJIEZGIOT-UHFFFAOYSA-N 406.446 1.846 30 10 HDEE COc1ccccc1N1CCN(C(=O)[C@@H]2CCCN2C(=O)c2ccc(C#N)cn2)CC1 1851347843 ACXZZLTXZYPOST-FQEVSTJZSA-N 419.485 1.915 30 10 HDEE CS(=O)(=O)N1CC(C(=O)Nc2c(C#N)cnn2-c2cccc(C(F)(F)F)c2)C1 1852817741 GIQDZFYNGIXUGT-UHFFFAOYSA-N 413.381 1.593 30 10 HDEE N#CC1(COC(=O)[C@@H](Cc2c[nH]c3ccccc23)N2CCS(=O)(=O)CC2)CC1 1853211362 QGCQKRHTDXFMKJ-GOSISDBHSA-N 401.488 1.656 30 10 HDEE NC(=NOCCC(=O)N1CCN(c2ccnc(Cl)n2)CC1)c1ccc(F)cc1 1853415157 ISSOKTOMNUMULY-UHFFFAOYSA-N 406.849 1.645 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1=O 1853682584 NCSIREIDSJMQOS-ROUUACIJSA-N 403.454 1.441 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3C[C@H](CN4CCC(C#N)CC4)CCC3=O)c2c1 1853789741 NFXVAVQQQFZPPL-KRWDZBQOSA-N 410.474 1.904 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)C(=O)C12CCCC2 1854395840 PLKICYGJSIGSTL-CYBMUJFWSA-N 403.451 1.649 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@H]2c2ccccn2)C(=O)C12CCCC2 1854415521 DXVUOGNAULQUIP-CABCVRRESA-N 402.476 1.022 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCN(c3ccc(-c4ccncc4)nn3)CC2)C1=O 1854590905 XKQDYBWXBVDBFV-SFHVURJKSA-N 405.462 1.092 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCCc4cncc(OC)c43)C2=O)CC1=O 1854816936 POQLWGHCERVDET-SJORKVTESA-N 412.490 1.395 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@H]2CCN(C(=O)Cn3cccn3)C2=O)CC1 1854865440 VPGKAVDCWXFBDF-SFHVURJKSA-N 408.462 1.068 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2C[C@@H](OC(=O)[C@H]3COc4ccccc4C3)CO2)cc1 1855737101 VQWYYTJUFABTLQ-IAGOWNOFSA-N 414.439 1.657 30 10 HDEE COc1ncc(C(=O)N2C[C@H](CN(C)CCC#N)CC2=O)c(C)c1Br 1855750100 YXKQDEHXUUXMBL-LBPRGKRZSA-N 409.284 1.995 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CC[C@H](Oc3ccncc3Br)C2)CC1=O 1856385475 XVAPDNIXHHJRTN-STQMWFEESA-N 407.268 1.586 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@@H](CN3CCSc4ncccc43)CCC2=O)CC1=O 1856658331 JMWWWCMAWSGTLP-CVEARBPZSA-N 414.531 1.793 30 10 HDEE CS(=O)(=O)N1CCCC[C@H]1C(=O)N1C[C@H](CN2CCC(CC#N)CC2)CCC1=O 1856953110 XPURBWKYPDRGLV-ROUUACIJSA-N 424.567 1.191 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)Cc2ccccc2OC)C1)[C@@H]1CCN(C)C1=O 1857056834 QCHVRFGJQDZPDT-PKOBYXMFSA-N 413.518 1.722 30 10 HDEE C=CCN(CC=C)C(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 1862182638 MDBSTAHXKZXXKS-UYAOXDASSA-N 413.518 1.877 30 10 HDEE C=CCNC1=C(c2ccc(NC(C)=O)cc2)C(=O)N(CCCN2CCCC2=O)C1=O 1863556371 WNDUFGTVQFPNDP-UHFFFAOYSA-N 410.474 1.513 30 10 HDEE CSCC[C@@H](C(=O)N=c1[nH][nH]c(CC#N)c1C#N)N1C(=O)c2ccccc2C1=O 1865987042 GQQIBSAZVIOOIO-HNNXBMFYSA-N 408.443 1.126 30 10 HDEE CC[C@@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCn1ccnc1 1869933847 PVDASGXXQDQNDK-PBHICJAKSA-N 403.508 1.543 30 10 HDEE C=CCN=c1nc(N2CCN(c3ncccn3)CC2)[nH]c(=Nc2cccc(OC)c2)[nH]1 1871664367 MTGHXRSVDNRXIX-UHFFFAOYSA-N 419.493 1.182 30 10 HDEE C=CCn1c(C(=O)NCCCN(CC)CC)cc2c(N3CCOCC3)ncnc21 1873593253 LATBMIJEUDKFLF-UHFFFAOYSA-N 400.527 1.916 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCOCC2)cc2c(N(CC)CC)ncnc21 1873594357 RRQCZSZESWLKGK-UHFFFAOYSA-N 400.527 1.916 30 10 HDEE Cc1ccc(-n2nnc(C(=O)N3CCC(N(C)c4cc(C#N)ccn4)CC3)n2)cc1 1891703927 FGRGTHCHSRQZFR-UHFFFAOYSA-N 402.462 1.978 30 10 HDEE C=C(Br)CS(=O)(=O)N1CC[C@@H](CO)[C@@H](NC(=O)OC(C)(C)C)C1 1984280594 DHJYTTXFESUATG-RYUDHWBXSA-N 413.334 1.432 30 10 HDEE C#CC[C@H]1CN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CCO1 2074732579 OEETXQGGPZDASI-HNNXBMFYSA-N 404.488 1.363 30 10 HDEE COCC[C@@]1(NS(=O)(=O)N2CC[C@H](C#N)C2)CCN(C(=O)OC(C)(C)C)C1 2174789064 MFZOLCOGFAQFKJ-PBHICJAKSA-N 402.517 1.082 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](O)CN1C(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2243431190 DQFMZNVRLDJWAG-ZQDZILKHSA-N 410.320 1.955 30 10 HDEE CCCN(CCC#N)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258168290 IHLWNBGAWLHDNK-INIZCTEOSA-N 411.480 1.410 30 10 HDEE C=CC[C@]1(CN)CCCN1S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2272172331 HLZOYYYLZNGRSI-VQTJNVASSA-N 423.510 1.710 30 10 HDEE Cn1ncc(NS(=O)(=O)c2ccc(C#N)cc2N)c1I 2280056143 HQKOTQCKJGSCEA-UHFFFAOYSA-N 403.205 1.279 30 10 HDEE CC1(C)OB(c2csnc2C(=O)N2CCS(=O)(=O)C(C)(C)C2)OC1(C)C 2281809040 YAPNBNDVPFTHFP-UHFFFAOYSA-N 400.331 1.092 30 10 HDEE CO[C@@H]1C[C@@H](O)CN(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281961485 NAEPZVXZICMXKS-GHMZBOCLSA-N 401.721 1.923 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3CCCCNC3)s2)OC1(C)C 2282336677 ARZLHFQQOHWENR-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE COC[C@H](CN(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)OC 2282339372 XSOTZLSBJUONRA-LBPRGKRZSA-N 405.347 1.329 30 10 HDEE CO[C@H]1C[C@@H](CF)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282424633 FIHQDEFMLYBRDE-RYUDHWBXSA-N 405.322 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CNC[C@H](F)C2)OC1(C)C 2282499120 AJSBYYNDGNVADC-CHWSQXEVSA-N 404.338 1.167 30 10 HDEE C[C@H]1OCC[C@@]1(O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282639875 GJZUBUZDHJIVRU-BMLIUANNSA-N 401.721 1.970 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC3CC2(CF)C3)OC1(C)C 2282846604 MCIVVTFHPOWNLO-UHFFFAOYSA-N 402.322 1.706 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@@](C)(CO)C(F)(F)F)c2)OC1(C)C 2282858978 GIDHFSJHFREFSO-ZDUSSCGKSA-N 415.264 1.639 30 10 HDEE C[C@@H]1[C@H](CO)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869833 IZVJLINXVBQSOX-OLZOCXBDSA-N 401.359 1.580 30 10 HDEE CCN(CC(=O)OC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282876546 FJCMNJHUMOBFCK-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE CS(=O)(=O)[C@H]1C[C@H](COc2c(N)cc(C#N)cc2I)C1 2285344445 NERUYEIKOBUCLO-MGCOHNPYSA-N 406.245 1.947 30 10 HDEE CON(CC1CCC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288892582 MDJJWRDVCHVKFO-UHFFFAOYSA-N 402.347 1.936 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(COC[C@H]3CCS(=O)(=O)N3)c2)OC1(C)C 2295169881 PFNIEGSZWAIFOQ-CQSZACIVSA-N 401.721 1.848 30 10 HDEE Cc1n[nH]c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccn1 2296627859 RVXGKJCNZMJRHB-GOSISDBHSA-N 411.462 1.175 30 10 HDEE CC[C@@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C)NC(=O)OC(C)(C)C 2300230750 NUYIUJAFVUOZAT-ZDUSSCGKSA-N 422.335 1.752 30 10 HDEE COc1ccc(C=Nn2c(S)nnc(CCC(=O)O)c2=O)cc1Br 2318413663 RZBHASFHBXMEQI-UHFFFAOYSA-N 413.253 1.598 30 10 HDEE C#CC[C@](C)(CO)CNS(=O)(=O)CCCCCCN1C(=O)c2ccccc2C1=O 2338821891 UUCWGJQSOUTTNO-NRFANRHFSA-N 420.531 1.784 30 10 HDEE CN[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1(C)C 2361410775 USRQEZJUGWYNHP-CYBMUJFWSA-N 400.375 1.666 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1[C@@H](C)OCCN1C(=O)OC(C)(C)C 2365210743 JHDCDRSBESQUAU-PMPSAXMXSA-N 402.557 1.816 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(C)(C)[C@H](O)C#CC2(S(C)(=O)=O)CC2)CC1 2367788562 APMWSQUIMPUFMW-OAHLLOKOSA-N 400.541 1.259 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1OCC[C@@H]1NC(=O)OC(C)(C)C 2367798346 QGPIURXYPXGENP-OWCLPIDISA-N 400.541 1.617 30 10 HDEE CCCN[C@@H](C#CC1(S(C)(=O)=O)CC1)CCOCCNC(=O)OC(C)(C)C 2367798900 VLOXUDKOFWNRCD-INIZCTEOSA-N 402.557 1.867 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@@H]1C[C@H](O)C#CC1(S(C)(=O)=O)CC1 2367800501 KCYWQUDJSNRFOH-LSDHHAIUSA-N 401.525 1.733 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2367809005 JAGILJUXIAFFPS-ARFHVFGLSA-N 400.541 1.306 30 10 HDEE COC(=O)C1CCN(C(=O)[C@@]23CC[C@@](C)(c4nc(C#N)c(C#N)nc42)C3(C)C)CC1 39846128 CRSJPBXZQIIMFZ-FCHUYYIVSA-N 407.474 1.961 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N/N=C/c2cc(O)c(OC)cc2[N+](=O)[O-])c1 169903896 NBEIMBGUIZVORF-RQZCQDPDSA-N 411.392 1.639 30 10 HDEE O=[N+]([O-])c1cccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1 254475367 NOKUQSUAWXDYHE-UHFFFAOYSA-N 413.438 1.504 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2cc(C#N)c3cc([N+](=O)[O-])ccc3n2)CC1 432059858 HZFDYMDSRHLCRK-UHFFFAOYSA-N 419.463 1.503 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)CC1 460813596 ZYVCJKKMRNLOBB-UHFFFAOYSA-N 404.486 1.870 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 478419914 VOJJRRFBLURNCT-IFXJQAMLSA-N 407.492 1.022 30 10 HDEE C=CCN(c1ncc(C(=O)OC)s1)S(=O)(=O)c1ccccc1S(C)(=O)=O 479126764 KKGGVTQBEBCHFA-UHFFFAOYSA-N 416.502 1.715 30 10 HDEE COCCCOC1CN(C(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 480485269 APSGBRHMJZFXKA-KRWDZBQOSA-N 400.435 1.027 30 10 HDEE C=CCN(CC(F)(F)F)C(=O)C1CCN(S(=O)(=O)c2ccc(C(=O)O)o2)CC1 485670617 WQDDEEMAVSLOAN-UHFFFAOYSA-N 424.397 1.955 30 10 HDEE CS(=O)(=O)c1cccnc1CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 486849005 ZOQIIECKYWVESI-UHFFFAOYSA-N 419.406 1.854 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc(N(C)C)c2)c1C#N 493236908 LEUFJEUDLFQVRC-UHFFFAOYSA-N 404.496 1.227 30 10 HDEE Cc1noc(CN2CCN([C@H](C)C(=O)N(CCC#N)c3ccc(F)cc3)CC2)n1 500247843 OYRSUQBSVDXEFW-OAHLLOKOSA-N 400.458 1.970 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C)(C#N)CC3)c2)CC1 507837797 MTNMLZXERHWASY-UHFFFAOYSA-N 418.519 1.305 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 508472404 JZDYWGZHKXOAEC-KRWDZBQOSA-N 419.432 1.793 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cnc3c(cnn3-c3ccccc3)c2=O)c1 513785821 UGEKAPRJCSSEAK-UHFFFAOYSA-N 405.439 1.928 30 10 HDEE C[C@@H]1CN(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)O1 520051195 CCMUKPVMXRLWLX-HUUCEWRRSA-N 406.508 1.563 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1C#N 535505490 DAJGLSZCCSTZGX-CYBMUJFWSA-N 418.523 1.426 30 10 HDEE Cn1ccnc(N2CCN(Cc3cn(CCC#N)nc3-c3ccccc3)CC2)c1=O 536662899 HFCIPFKZHNONEG-UHFFFAOYSA-N 403.490 1.880 30 10 HDEE CC1CCC(NC(=O)CN2CCN(S(=O)(=O)CC3(C#N)CCCC3)CC2)CC1 545363732 FHEAJAJFNYGOAS-UHFFFAOYSA-N 410.584 1.713 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 549274340 MXZGPFHQLKUGBA-HUUCEWRRSA-N 410.540 1.924 30 10 HDEE COc1cccc([C@H](CC(=O)O)NS(=O)(=O)c2cnc(C)c(C#N)c2)c1OC 559205237 XAOBNAXNKBOAMY-HNNXBMFYSA-N 405.432 1.773 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2nc(CN3CCC[C@H](C)C3)cs2)CC1 588768261 UTPFTQGATWRCOI-INIZCTEOSA-N 420.583 1.827 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cnc3sccn3c2=O)cc1 604545572 KJEBDUBZVHUNPT-CQSZACIVSA-N 411.468 1.781 30 10 HDEE CCC(=O)N[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 606063054 ZYNHMWXHIFSADJ-FQEVSTJZSA-N 404.470 1.937 30 10 HDEE C[C@H](C(=O)N1CCN(c2ncccc2C#N)CC1)N1CCN(c2ccc(F)cc2)CC1 609491308 FAYGWAGXMHYRBY-GOSISDBHSA-N 422.508 1.952 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1ccc(C#N)nc1 609641415 YOBUWBUAQQODHI-UHFFFAOYSA-N 415.475 1.150 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cn2)cc1 612548463 QVCLHXRFEIDWPS-KRWDZBQOSA-N 407.430 1.227 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)cc1 728410584 YLHJPIAKYROJQE-UHFFFAOYSA-N 406.485 1.541 30 10 HDEE CN(C(=O)COC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)C(C)(C)C#N 728726403 UCRGSDKUNUYNFQ-UHFFFAOYSA-N 422.438 1.872 30 10 HDEE C#CCN(C(=O)c1csc(-c2ccc([N+](=O)[O-])cc2)n1)[C@H]1CCS(=O)(=O)C1 729334679 AUZHRCKUYSIYCE-AWEZNQCLSA-N 405.457 1.981 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)cc2)C1 732648639 GLYDVYVXLNWGRN-VQIMIIECSA-N 416.547 1.920 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCO[C@H](C(=O)OCC)C2)cc1 741391624 OSWPNQIXPBRZSL-INIZCTEOSA-N 411.480 1.289 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2n[nH]c(NC(=O)Cc3cccc(C#N)c3)n2)CC1 749413603 NJTBDKKSJFZPIE-UHFFFAOYSA-N 411.466 1.915 30 10 HDEE N#Cc1cccc(CC(=O)OCC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)c1 750430063 IOBQAASRFJNIBP-GOSISDBHSA-N 404.488 1.602 30 10 HDEE O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)OCC#Cc1ccc(C(F)(F)F)cc1 750889067 CAPPRZFYQPZVDW-MUIFIZLQSA-N 407.344 1.763 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@@H](C)O[C@H](c2ccc(F)cc2)C1)c1cc[nH]n1 772302777 RFSCIEIJCKTUAJ-DYVFJYSZSA-N 418.425 1.821 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 773874544 DKKDZMXRSRWRJO-UHFFFAOYSA-N 412.421 1.324 30 10 HDEE C#CCN(C(=O)Nc1ccccc1CN1C[C@H](C)O[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 774034039 CYIMHOVQXHVXSI-ZIFCJYIRSA-N 419.547 1.950 30 10 HDEE C#CCN(C(=O)Nc1ccc(NC(=O)OCC)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 774051223 YUPZTUMPQQFRMZ-HNNXBMFYSA-N 404.448 1.781 30 10 HDEE C#CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn12)[C@@H]1CCS(=O)(=O)C1 774151595 AEMFGYJDTBTRMK-CABCVRRESA-N 421.548 1.355 30 10 HDEE C#CCN(C(=O)NCCc1cc(Br)ccc1F)[C@H]1CCS(=O)(=O)C1 774195490 JVSSHHQZLDJGPF-AWEZNQCLSA-N 417.300 1.963 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2cccc(O)c2)ccc1F 775801052 WUZJTIFNRRPFRA-KRWDZBQOSA-N 422.434 1.640 30 10 HDEE CC(C)(C)OC(=O)C[C@](C)(C#N)C(=O)OCC1=Nc2ccccc2S(=O)(=O)N1 780181250 XIQXMSFJPGBMHW-GOSISDBHSA-N 407.448 1.813 30 10 HDEE N#Cc1ccc([C@@H](O)C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 780895299 YLVHXVZFAWSBDJ-OAQYLSRUSA-N 410.449 1.586 30 10 HDEE C#CCn1c(=C(C#N)C(=O)N2CCCC2)sc(=Cc2c(F)cccc2CC)c1=O 794644223 DCDMKJQZFBVKMW-UHFFFAOYSA-N 409.486 1.370 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 803524067 VWGWNRRUAQSPGL-KRWDZBQOSA-N 402.472 1.665 30 10 HDEE COC(=O)c1ccc(NN=Cc2ccc(S(N)(=O)=O)c(Br)c2)nc1 807981153 DFXGLWRYZOMYLX-UHFFFAOYSA-N 413.253 1.724 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)c(OC)c2)c(=O)n1Cc1ccccc1 1116373596 KULXSUBCQIZOAH-UHFFFAOYSA-N 423.469 1.355 30 10 HDEE Cc1cc(C(=O)Nc2ccc(N(C)C(=O)CN3CCN(C)CC3)cc2)ncc1C#N 1125805397 LLTAKHJRODBUON-UHFFFAOYSA-N 406.490 1.724 30 10 HDEE C#CCN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1)C1CCN(C)CC1 1134044658 ZKBDWTIOLLATEM-UHFFFAOYSA-N 407.511 1.780 30 10 HDEE CCc1ncc(Cl)c(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1136149431 KGWBIYAXKHPLSI-UHFFFAOYSA-N 419.894 1.711 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)CN1CCN(C(=O)OC(C)(C)C)CC1 1136510239 RDNBGXRIRZCLNE-UHFFFAOYSA-N 400.479 1.541 30 10 HDEE C[C@@H]1Cn2nc(C(=O)NCC3CCN(CC#N)CC3)cc2CN1C(=O)OC(C)(C)C 1136779265 LMSYDKQWKXBFKW-OAHLLOKOSA-N 416.526 1.988 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)C)c1 1144422318 IQGXAPXUOVBLKW-FQEVSTJZSA-N 412.511 1.913 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N(CCC#N)Cc2ccccn2)C1=O 1144537797 ZFZAAESMYUZDSH-KRWDZBQOSA-N 400.479 1.904 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCC(N4CCCC4=O)CC3)C2=O)cc1 1144814136 AINANRNBHJGXCZ-GOSISDBHSA-N 423.473 1.377 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)s1 1157648068 ZPYWFJZODCPHCH-TZMCWYRMSA-N 404.554 1.029 30 10 HDEE CCC(CC)N1C[C@@H](C(=O)N(O)CCCN2C(=O)c3ccccc3C2=O)CC1=O 1161796713 CCXLLBOTWOZEDT-AWEZNQCLSA-N 401.463 1.928 30 10 HDEE C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N(C)C[C@@H](O)c2cccc(C#N)c2)cc1 1165497164 AFUHRZLJICYRFI-AUUYWEPGSA-N 417.487 1.023 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)COCC(=O)NCc3cccnc3)C2)nc1 1178460959 VRARMEHKPRHUFZ-SFHVURJKSA-N 408.462 1.084 30 10 HDEE CCOCn1nc(C)c(C[C@H](C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1C 1179649804 APIHLBKPSYBYQU-IYJAJMOOSA-N 408.524 1.069 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cc(C(=O)OC)cc(OC)c2O)c1 1179882874 FAQGAVJLTPLRRQ-UHFFFAOYSA-N 418.427 1.351 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 1194066008 BDHRQPSEISTMMB-UHFFFAOYSA-N 416.293 1.858 30 10 HDEE COCCc1ccc(OC[C@@H](O)CNS(=O)(=O)c2cccc(F)c2C#N)cc1 1212482476 DUIQWUUGEJSCJD-HNNXBMFYSA-N 408.451 1.604 30 10 HDEE C[C@@H](NS(=O)(=O)c1cc(Br)cc(C#N)c1)[C@@H]1CN(C)CCN1C 1213799313 AXURGYYQTNCKOV-ABAIWWIYSA-N 401.330 1.233 30 10 HDEE COc1cc(NC(=O)NCC2(N3CCOCC3)CCN(C)CC2)c(F)cc1C#N 1219580667 HUFSOOMXSDMOEY-UHFFFAOYSA-N 405.474 1.624 30 10 HDEE C=CCn1cc2ccc(NC(=O)NC3CCN(CCS(C)(=O)=O)CC3)cc2n1 1220157795 VZOJCOJKRKKLIG-UHFFFAOYSA-N 405.524 1.853 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCCCN(C)C(=O)OC(C)(C)C)n1 1222429363 FZNWWVUFLIPDOG-UHFFFAOYSA-N 407.515 1.931 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)NCC2(C3(O)CCOCC3)CC2)C1 1233852750 MBQBFHOYFPFCMC-GJZGRUSLSA-N 408.499 1.366 30 10 HDEE CCOc1ccc(C[C@@H](C)CNC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1251720384 QKOGIPJHSTXKKT-SYNHAJSKSA-N 405.520 1.844 30 10 HDEE CCONC(=O)CNC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1252653464 HCYAVJNAFGCEDP-RNFRBKRXSA-N 413.265 1.867 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C(=O)OC)c2ccsc2)ccc1F 1269994932 CHPRRQKBUWQVBN-HNNXBMFYSA-N 412.464 1.996 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 1286347241 IVQXZPXFUXFWBE-MRXNPFEDSA-N 419.551 1.580 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1CCOC[C@H]1OC 1286404532 VGURRUQITVBJOV-YLJYHZDGSA-N 408.458 1.798 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccsc2)n1CCNC(=O)c1cc[nH]n1 1286431558 YVIBWJJTOLKJKE-UHFFFAOYSA-N 407.503 1.546 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCOC2)n1Cc1cc(OC)ccc1OC 1286466410 GNBBTBTZVRBMEA-INIZCTEOSA-N 400.479 1.934 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](C)N(C)C)CC1 1286489518 VYGFGNZQYURCKK-KRWDZBQOSA-N 419.533 1.733 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1CC(=O)NCC1CC1 1286531161 SFVFOUXCFHOKOM-DJPFJPOOSA-N 401.511 1.520 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(n2cc([N+](=O)[O-])cn2)CC1 1286593446 LDHQFTLAIDCELN-OAHLLOKOSA-N 400.443 1.752 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1286670125 AURIKAYQWPJQFL-QRWLVFNGSA-N 421.567 1.847 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)OCCOC)nnc1N1CCOC2(CCCC2)C1 1286780993 UITRDFOXRBRXIN-INIZCTEOSA-N 407.515 1.454 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CCn2nc(C)nc2C1 1286781909 DMKUKCVJUVMTEA-UHFFFAOYSA-N 408.466 1.176 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](N2CCCC2=O)C1 1286793675 JFFNUIKFQWRMDU-HZPDHXFCSA-N 402.499 1.023 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)[C@@H](C)C1 1286875140 AUNNDAGWNVACEP-NYHFZMIOSA-N 421.505 1.352 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)c1 1295466294 URJPMPZDPRIVSK-CQSZACIVSA-N 410.467 1.781 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N(CCO)Cc2cccnc2Cl)c1 1296956033 CCCGLWUYIBLHGL-UHFFFAOYSA-N 411.842 1.806 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OC)C1 1297759716 JEPIRKURZATWQN-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE C#CCOc1ccc(CNC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)cc1 1298075388 DUBRXQCWWYXSPH-UHFFFAOYSA-N 400.456 1.496 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)c2cn(CCO)nc2C2CCOCC2)C1 1300021053 RCTQMEAIQCWGKG-FQEVSTJZSA-N 423.517 1.992 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1Cc1cc2c(cc1OC)C[C@@H](C)O2 1300471823 QFYLUFSSURLNPJ-OAHLLOKOSA-N 409.490 1.850 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCC2(O)CCOCC2)CC1 1300698309 QFBSCUFRPAWGCM-SFHVURJKSA-N 403.527 1.207 30 10 HDEE C=C(Br)Cn1c(-c2cccnc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1300839884 PNEOWVJEEFBRSZ-ZIAGYGMSSA-N 422.283 1.609 30 10 HDEE C=CCCCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1301197692 MVCXKLXXYBOIMS-MRXNPFEDSA-N 401.515 1.521 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)cc1 1301254410 OCSZEIFXOBVUGJ-HXUWFJFHSA-N 421.519 1.727 30 10 HDEE C=CCN(CC=C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCOC1 1301379852 WBJLIVPRXFMJIH-HXUWFJFHSA-N 408.466 1.251 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CCS(=O)(=O)CC1 1301491868 PKHJFRWBOZLUTF-UHFFFAOYSA-N 409.899 1.136 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CCOCC2)C1 1301554295 ZIRGFGQNJXSAIO-MSOLQXFVSA-N 400.527 1.786 30 10 HDEE COCCN1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1301919695 SWMLNSSCIHLCAT-UHFFFAOYSA-N 407.478 1.545 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1sc(C)nc1C 1302311209 JGQGLMLKAXMILI-ZOBUZTSGSA-N 418.523 1.853 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2CC[C@H]2COCCO2)CCO1 1303010380 UWZPIDXQYDZDBQ-RBUKOAKNSA-N 413.478 1.434 30 10 HDEE C#CCN1CCC(NC(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1 1303792721 PGWSNNCGUZPKNG-UHFFFAOYSA-N 404.467 1.782 30 10 HDEE N#CC1(C(=O)N[C@H](CO)c2ccccc2I)CCOCC1 1304876381 NFCCHRKTDLFKSC-CYBMUJFWSA-N 400.216 1.761 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCOc3cc(Cl)ccc3Cl)C2)c(=O)nc1O 1305589445 IKNTUNWVNXEMFS-UHFFFAOYSA-N 409.229 1.980 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1305742079 RSIYDAVROLLJKK-INIZCTEOSA-N 415.542 1.851 30 10 HDEE CCOCc1nnc(N2CC[C@](F)(C#N)C2)n1CCn1cc([C@@H]2CCOC2)cn1 1314343811 HTTPSAQJCITUCM-BEFAXECRSA-N 403.462 1.657 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CCO1 1315934611 IZGAWUMYXUFYLU-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE COCCOCCn1c(-c2ccccc2F)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1316264447 YLGREAGRVMBPGA-QGZVFWFLSA-N 414.485 1.924 30 10 HDEE C[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)NC(=O)OC(C)(C)C 1316493790 HKZCATOHCLYZOB-UKRRQHHQSA-N 416.486 1.321 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[C@@H]2CCOC2)cc1 1316534122 PERHETMECWICFZ-MSOLQXFVSA-N 424.505 1.857 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1358910351 LZFYUZXIKPVLKL-LJQANCHMSA-N 402.524 1.497 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](OCCOC)C1 1358913711 WGXRKTPTXOVDTL-IRXDYDNUSA-N 410.540 1.225 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1ccc(OC)cc1 1358938562 DVNKCWCRAMVYEL-OAHLLOKOSA-N 405.524 1.599 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1358960481 FRELXXXGQRGDOD-LJQANCHMSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1 1358997262 LQJWWFFSMQBSSS-MRXNPFEDSA-N 413.503 1.148 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CCNC(=O)[C@H](C)CCC)CC1 1359041438 WNXPRLHDNOILKM-QGZVFWFLSA-N 416.570 1.920 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCOC(F)F)CC1 1359043858 LTDIFEOAJNZUKB-UHFFFAOYSA-N 418.448 1.935 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1359142072 AIGMKDRSUKLPFI-QWHCGFSZSA-N 413.935 1.368 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1359299548 HUAOXZNDZLOHJX-ZWKOTPCHSA-N 403.527 1.870 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2OC)nnc1N1C[C@H](C)O[C@H](C)C1 1359304604 CNVAYMHZROUMGA-IYBDPMFKSA-N 415.494 1.782 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2c(C)noc2C)C1 1359320561 SEBKDPQMDQWAJI-NVXWUHKLSA-N 400.483 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)Oc2ccccc2F)nnc1N1CCOCC1 1359328116 UAHZMHJOAHOEIA-HNNXBMFYSA-N 424.498 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H]2CCCN2C[C@H]1C 1359331541 BXGINNFYXGPJJJ-KZNAEPCWSA-N 423.583 1.446 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C2CCCC2)CC1 1359333349 VFNVSXSMAINOCI-KRWDZBQOSA-N 423.583 1.447 30 10 HDEE Cc1nnsc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](C(N)=O)C1 1360959559 HKBCEZSIRZNPSY-HNNXBMFYSA-N 408.491 1.727 30 10 HDEE C#Cc1cccc(N(CC(=O)NC)C(=O)c2cc3ncc(Br)cn3n2)c1 1434928622 MBXZZFCNKJWGST-UHFFFAOYSA-N 412.247 1.866 30 10 HDEE CCOCCOC1CCN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1441625296 RATCEZKYNNAEBG-HNNXBMFYSA-N 423.535 1.548 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H](C(=O)NCCOC)CC[C@H]1C 1442309402 CAIZBSGDNDEVKD-ZACQAIPSSA-N 409.527 1.683 30 10 HDEE N#C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1F)c1ccc(Cl)cc1 1443361551 MLZUPMIROYIFBB-CVEARBPZSA-N 402.813 1.834 30 10 HDEE N#C[C@H](CO)NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Br 1449515869 BDGGDHPLOZYFJN-LLVKDONJSA-N 416.297 1.238 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)CCCNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1452252314 UEAXNOZFBKDGCC-INIZCTEOSA-N 419.425 1.641 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2 1455201037 AYCWABZAJSSUFB-OAHLLOKOSA-N 412.508 1.350 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1 1468071038 NIKASCSNCQBHQX-DLBZAZTESA-N 410.517 1.556 30 10 HDEE N#Cc1cccc(OC2CCN(C(=O)NCCCCn3cc(C(N)=O)nn3)CC2)c1 1470488931 JFJBGLCMFNDIQN-UHFFFAOYSA-N 411.466 1.282 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H](O)Cc1ccc(F)cc1 1471898006 JQSDSKUYBWWXQB-INIZCTEOSA-N 419.478 1.364 30 10 HDEE C#CCOCCN(C)C(=O)c1c[nH]c2ccc(I)cc2c1=O 1472438411 RVHCAUXTNGQPGK-UHFFFAOYSA-N 410.211 1.855 30 10 HDEE CCOC(=O)N[C@H](CNC(=O)N1CCN(c2ccc(C#N)nc2)CC1)CC(C)C 1477351261 CYTCYDWWTCAQNT-KRWDZBQOSA-N 402.499 1.946 30 10 HDEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](C#N)C1)N(C)C 1496661541 DETFPYOBJKINJS-ZACQAIPSSA-N 403.531 1.324 30 10 HDEE COc1ccc(CCc2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccn(C)n2)cc1 1504230271 CSIOMSSGPPEBFS-HXUWFJFHSA-N 421.505 1.777 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccnc(OC2CCOCC2)c1 1507532574 FSJYRKXQXJEWJI-YJBOKZPZSA-N 424.505 1.688 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1507535463 FLZSXHRYKMQOHY-ZDUSSCGKSA-N 413.432 1.758 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCNS(=O)(=O)c1ccccc1 1507537534 IOHSLYFZGUYTRA-HOTGVXAUSA-N 403.508 1.218 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCc2ccccc21 1507664494 AECXSYHIZVZJPZ-QHCPKHFHSA-N 400.486 1.976 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](C(C)C)N1CCOCC1 1507666690 FBMJWIUVFMTRLL-RTBURBONSA-N 412.538 1.049 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2csc(C)n2)n1CCS(=O)(=O)CC=C 1507671644 MRHCUYGYVOTAHQ-UHFFFAOYSA-N 417.560 1.698 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1507967890 NVHXINPLRNOIJK-ZCNNSNEGSA-N 419.570 1.922 30 10 HDEE CC(C)C(=O)NCCn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1508426752 HSEVFLGLCNLTEF-AWEZNQCLSA-N 417.539 1.638 30 10 HDEE Cn1cc(-c2nnc(N3CCC(CC#N)CC3)n2CC(=O)NCC(F)(F)F)cn1 1517370455 HNFLWKINIIIUAI-UHFFFAOYSA-N 410.404 1.487 30 10 HDEE C[C@H]1C[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c2nccn21 1526017105 HOXMPJMCWMLVFV-KSSFIOAISA-N 413.503 1.978 30 10 HDEE C#CCOc1ccc(CNC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)cc1 1526380719 ZXWRIDMWVLZNMI-HSZRJFAPSA-N 403.438 1.708 30 10 HDEE CC(C)(CCNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)S(C)(=O)=O 1528822000 HLSWXSUCGJLOKL-OAHLLOKOSA-N 420.491 1.093 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CSCC(=O)N2)c1 1534268686 QAXKBDMXEKNXRK-SSPLZPMDSA-N 424.548 1.450 30 10 HDEE CS(=O)(=O)N1CCCc2cc(C(=O)N3CCC4(CC3)CC(=O)C=CO4)ccc21 1538583378 UHGMAUVEECLPAW-UHFFFAOYSA-N 404.488 1.877 30 10 HDEE CS(=O)(=O)C[C@@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)CCO1 1538881187 LTKIBDVNBBIWTC-INIZCTEOSA-N 402.476 1.349 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 1539112270 LDTRKOYADOCHCI-SFHVURJKSA-N 409.538 1.820 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCn2ccnc21 1539232483 FLKFWUJUGZXDGJ-QGZVFWFLSA-N 414.473 1.772 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCCCS1(=O)=O 1539414829 ZNLQGHBPHXFPMZ-DLBZAZTESA-N 410.540 1.573 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1Cc1ccc(C(N)=O)nc1 1539541891 OJAUZLCYDXJBEH-FGZHOGPDSA-N 424.505 1.465 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1539823662 HNWJSXOFDNUHRE-MJBXVCDLSA-N 404.920 1.378 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCSC1)C1CC1 1540094751 RMOURNURWXXNMA-IBGZPJMESA-N 400.508 1.948 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(NC(C)=O)nc1 1540196240 VORPOIDKIZHORZ-UHFFFAOYSA-N 410.482 1.719 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2[C@H](C(=O)OCC)[C@H]3CC[C@@H]2C3)ccc1F 1540228176 IYNFEJMASVYKGK-QEORTHHSSA-N 410.467 1.846 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1540902821 RGUPVDMQEJETNZ-MRXNPFEDSA-N 423.583 1.840 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCc3nnnn3CC2)c1 1543096171 FOQAFAURUFEVQB-NGFMMCKOSA-N 417.495 1.077 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@@H]1CC[C@H](CO)O1 1545461347 SVKYWGOAKNJZBO-RRQGHBQHSA-N 412.494 1.866 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@H]1CCCCS1(=O)=O 1545831956 BWZQWTBJBRYBMA-HOCLYGCPSA-N 424.571 1.760 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(C)(C)O 1554164904 BLWYZFLWCIPWOB-KRWDZBQOSA-N 417.535 1.849 30 10 HDEE CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N(C)Cc1ccc(C#N)cc1 1554512125 IJXQGVFUARBYKS-MRXNPFEDSA-N 404.496 1.187 30 10 HDEE CC(C)(C)OC(=O)NCc1cn(C2CN(C(=O)Cc3ccccc3CC#N)C2)nn1 1558102548 IDLBVOVPVVOPFM-UHFFFAOYSA-N 410.478 1.995 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc(-n2[nH]c(CC(=O)OC)cc2=O)cc1)C(=O)OC 1558381406 IUYJCNXDVIEEAW-QGZVFWFLSA-N 415.446 1.509 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](O)[C@H](Cc3ccccc3)C2)cc1 1558759850 GDAKNHWEAPDIRB-UYAOXDASSA-N 400.500 1.827 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)nn1 1562065374 UJAFKDQRUNVYNV-UHFFFAOYSA-N 407.500 1.102 30 10 HDEE C#C[C@@H](NC(=O)N1CCC(CS(N)(=O)=O)CC1)c1ccc(Br)cc1 1564998838 CWXGHWAKVPIMCL-OAHLLOKOSA-N 414.325 1.834 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 1565156168 DIIVXHFPWNBHQF-IBGZPJMESA-N 400.523 1.998 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C2 1583060418 CBTKOZZLEPKXHV-GOSISDBHSA-N 411.483 1.476 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)c1 1586063545 JRYYTXCRYODEDA-HNNXBMFYSA-N 405.545 1.733 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C(=O)OC 1587305432 NJEOQYFFRNPJKA-IAGOWNOFSA-N 414.462 1.160 30 10 HDEE N#Cc1cc(F)cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)c1 1587330073 JRVWGXGVOFREBA-HYVNUMGLSA-N 407.467 1.746 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CC[C@](C)(NC(=O)C(F)(F)F)C1 1587853909 FJMJJROTVJWIEC-SFHVURJKSA-N 422.411 1.820 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)NCC(F)(F)F 1588105043 IRROWJCITVWZOB-UHFFFAOYSA-N 400.364 1.568 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)C(C)C 1588139623 QFIZEHYBCJIFNS-QGZVFWFLSA-N 421.567 1.366 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1589116451 JAPRXOIHEFMTOE-UHFFFAOYSA-N 415.567 1.914 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCC(C(=O)N2CCCC2)CC1 1595477195 SBUIFAQOSMUVKI-MRXNPFEDSA-N 402.543 1.933 30 10 HDEE C=CCCC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C)C(=O)OC 1596233151 HDBRLBDOAJBNJD-SFHVURJKSA-N 424.519 1.644 30 10 HDEE C#CCN(CC(=O)Nc1ccc2c(=O)n(C)c(=O)n(C)c2c1)C(=O)OC(C)(C)C 1596906869 LWNUICMXCVVZRP-UHFFFAOYSA-N 400.435 1.046 30 10 HDEE C#CCn1/c(=N\C(=O)[C@H]2CCCN(S(C)(=O)=O)C2)sc2cc(OCC)ccc21 1614154391 CGSIWNMWHRYZEP-YISVQYQQSA-N 421.544 1.834 30 10 HDEE CCO[C@@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(O)CCN(C)C2)CCOC1 1616176384 CMAKZMSIMOSCGX-RTWAWAEBSA-N 418.542 1.127 30 10 HDEE CCOc1ncccc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)C[C@@H](C)C#N 1616496351 GAACTOMPVIHHLD-UONOGXRCSA-N 421.527 1.326 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2COc3cc(F)ccc3C2)cc1 1618177928 XRNAVWXYAMQPBJ-INIZCTEOSA-N 403.435 1.751 30 10 HDEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1618279322 ZLHSHKDWWBIJEH-KGLIPLIRSA-N 402.421 1.395 30 10 HDEE CNC(=O)CCn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1618795164 DJTWSKUYYZTJDZ-UHFFFAOYSA-N 404.434 1.011 30 10 HDEE CN(C(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@H]1CCS(=O)(=O)C1 1624581091 OHRQSOGEOCZQJN-AWEZNQCLSA-N 412.309 1.402 30 10 HDEE C[C@@]1(C(=O)NCC2CCN(CC#N)CC2)C[C@@H](O)CN1C(=O)OCc1ccccc1 1629083129 WSTGCZKGWKHINK-KNQAVFIVSA-N 414.506 1.500 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NCc1cccc2c1CCOC2 1630809756 OYVCVKWDAPOKPF-UHFFFAOYSA-N 413.499 1.894 30 10 HDEE CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nc(O)c(C#N)cc1C 1636900068 DLRUMOSRVCLMJT-UHFFFAOYSA-N 403.464 1.902 30 10 HDEE COC(=O)C[C@@H]1CC[C@H](NC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C1 1636954697 YWFNMMYYKFUMCO-MJBXVCDLSA-N 407.492 1.352 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2nc(O)cc(CNC(=O)OC(C)(C)C)n2)C1 1637121060 KKOGGNTYTBDLRS-CQSZACIVSA-N 407.471 1.693 30 10 HDEE CN(C)[C@@H]1CC[C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2C1 1637381292 QFMMATIGHKQDAZ-OWCLPIDISA-N 404.536 1.304 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)n[nH]2)c1C 1637385505 LAMXHIZMATZLNG-OKILXGFUSA-N 415.450 1.110 30 10 HDEE C#CC[C@H](CCOC)NC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O 1637390022 PSZDHCOLBRBRCA-WMJYUBJYSA-N 402.476 1.846 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3C[C@H](C(=O)OCC)C4(COC4)C3)n[nH]2)c1C 1637461641 XXRJHUGBGOKZBX-OAHLLOKOSA-N 413.478 1.728 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCCCn3ccc(O)nc3=O)CC2)c(Cl)c1 1638912292 ANRXOUAULSLHCR-UHFFFAOYSA-N 416.869 1.396 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCc2cccc3c2OCCO3)c1 1639161066 IVKKZCFWDUZFSU-UHFFFAOYSA-N 402.472 1.895 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CCC4(CC3)COCCO4)CC2=O)cc1Cl 1643504039 RTHCWKCMKPQOMK-OAHLLOKOSA-N 403.866 1.973 30 10 HDEE CN(C)CC#CCNC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OC(C)(C)C 1648651264 CPJOGESBLHTPLQ-SFHVURJKSA-N 417.506 1.694 30 10 HDEE COCCN(C)CCN1C[C@H](Nc2nccc(Oc3cccc(C#N)c3)n2)CC1=O 1651160661 AMXHDUSCNUFCPY-QGZVFWFLSA-N 410.478 1.732 30 10 HDEE CC(=O)c1cccc(C#N)c1OCC(=O)Nc1cc(C)nn1[C@H]1CCS(=O)(=O)C1 1652167814 UYUYYZVAZOVKPW-HNNXBMFYSA-N 416.459 1.643 30 10 HDEE CCn1c(SCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc2ccccc21 1653068500 BWTHJPLIUFUFKE-SCLBCKFNSA-N 404.517 1.545 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](c2nccn2C)C(F)(F)F)c1 1653997455 OMGHMXNEVKOGJB-CYBMUJFWSA-N 400.382 1.365 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCO[C@@H](Cn4ccnn4)C3)ccc2c1=O 1654734583 FPBGHJRJGKQOLW-CQSZACIVSA-N 412.475 1.004 30 10 HDEE CC#CC[C@@H](CO)NC(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 1657747732 YDOODIBOPWSNBJ-KRWDZBQOSA-N 402.495 1.256 30 10 HDEE CC(=O)N1CC[C@@H](CN(C)S(=O)(=O)c2cc(Br)ccc2C#N)C1 1660925805 CFWPGWZNFHVINT-LBPRGKRZSA-N 400.298 1.810 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(C(N)=O)c(Br)cc2F)C1 1666053753 YGQSYCHQLBNHEN-SNVBAGLBSA-N 418.288 1.063 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCCc1ccc(I)cc1 1670883511 ZQRUWANDNRDPSP-UHFFFAOYSA-N 422.288 1.734 30 10 HDEE O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1 1671100701 IZEZKNDSCVHVKI-OIBJUYFYSA-N 417.281 1.928 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNC(=O)NCC(=O)NCC#N)Cc1ccccc1 1672532356 DUPVLTGSDMMXEB-INIZCTEOSA-N 403.483 1.451 30 10 HDEE C=CCOc1ccc(Br)cc1NC(=O)NC[C@@]1(O)CCS(=O)(=O)C1 1672708423 LUIXLQUKYORILQ-HNNXBMFYSA-N 419.297 1.685 30 10 HDEE C#CCOc1cccc(NC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)c1 1674518771 KQSGFLFQVDFPKD-GOSISDBHSA-N 408.524 1.775 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)OC(C)(C)C)CC1 1676556832 ZEZGIWDWYUDYEI-IKGGRYGDSA-N 404.511 1.698 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCCc3ccco3)CC2)cc1 1683032274 HBSDBUFZKCYTES-UHFFFAOYSA-N 402.476 1.800 30 10 HDEE COc1ccc([C@@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c2ccco2)cc1 1683220679 IOLPIRVJTXGVQF-QKYXUNIQSA-N 415.471 1.957 30 10 HDEE C[C@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1683324113 QTVZVDOUGRIQMQ-MCNSAMFCSA-N 416.547 1.334 30 10 HDEE C=CCOCCNC(=O)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1687160063 PYLMJFDTBDNQTB-XHSDSOJGSA-N 424.498 1.413 30 10 HDEE N#CC1(CNC(=O)N2C[C@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)CCOCC1 1687829858 HXKKXMSGKKXESH-DOMZBBRYSA-N 409.430 1.458 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CC(=O)N(C)C 1689853826 ZCNMIJPAAXHDFI-LSDHHAIUSA-N 420.514 1.133 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1689867649 VJNKIYXAGRZAQV-QYWGDWMGSA-N 419.526 1.959 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CCCS(C)(=O)=O 1690051246 RPAFCYZFGFYAJP-UHFFFAOYSA-N 424.530 1.414 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H](OC)C(F)(F)F 1690077381 NMDBPOMPEYBURO-OLZOCXBDSA-N 408.446 1.607 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CC1(S(C)(=O)=O)CC1 1690194089 YWHZWQDWPOXPFK-CRAIPNDOSA-N 410.540 1.571 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCN2CCCO[C@H](C)C2)CC1 1690372427 MVMRXSLUNPDWGZ-QZTJIDSGSA-N 402.543 1.887 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1690481686 MKFZYFYZIMIYBL-ZWKOTPCHSA-N 402.543 1.744 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(F)(F)F)CC1 1690668994 PSSUEQDQPZTCKH-UHFFFAOYSA-N 423.443 1.635 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1694786727 POSXQLLDCRUICZ-UWJYYQICSA-N 410.478 1.337 30 10 HDEE CCOCc1nnc(N2CC[C@H](C)[C@H](OC)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1696281834 HZWWPAIMKUIYKE-ZXFOJKPWSA-N 418.498 1.202 30 10 HDEE Cn1nncc1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(CC#N)CC1 1696886198 ASJHNCXTBAPUGJ-UHFFFAOYSA-N 406.454 1.232 30 10 HDEE CS(=O)(=O)CCOCCn1c(-c2ccccn2)nnc1N1CCC(CC#N)CC1 1698309468 PFDCEGWWUZEQDW-UHFFFAOYSA-N 418.523 1.531 30 10 HDEE C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1F 1698447894 ONIUVSGXEAWBAY-MRSWSPKZSA-N 418.473 1.493 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(-c2n[nH]c(C)n2)cc1 1705580956 QBLHMEJANXFNPC-GOSISDBHSA-N 414.473 1.444 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CC(=O)NCc1ccco1 1705585551 HIFDAYVOIFMIQO-UHFFFAOYSA-N 421.432 1.978 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(C)C)n1C[C@@]1(O)CCS(=O)(=O)C1 1705619412 QBVWUEWXDFJVIP-FQEVSTJZSA-N 420.510 1.730 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1705647101 AGTOJELNDMUXDX-AOMKIAJQSA-N 423.521 1.252 30 10 HDEE C#CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H]1c1nncn1C 1705664358 NEUKKRZFFFTWOS-OAHLLOKOSA-N 414.539 1.237 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1CCS(=O)(=O)CC=C 1705667944 ZUFNJAUTZAHHAW-LJQANCHMSA-N 405.524 1.107 30 10 HDEE C=C(C)Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@@H](C)CC(N)=O 1705724548 WXTCCHWGHZBOKC-ZDUSSCGKSA-N 405.528 1.514 30 10 HDEE C=CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCn1cnnn1 1705836185 JBQVWACXQSVHJC-UHFFFAOYSA-N 406.292 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1705936932 BRBDWDFEOQNASH-INIZCTEOSA-N 407.540 1.033 30 10 HDEE CC(=O)NCCCn1c(COc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1706064381 UBZZUJQEUZGFPV-HNNXBMFYSA-N 402.430 1.251 30 10 HDEE CC(C)NC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCN(c2ncccc2C#N)CC1 1706645668 QIOUBPUIHWOLTK-UHFFFAOYSA-N 419.493 1.391 30 10 HDEE CCNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2(O)CCCC2)CC1 1710336164 FCAFLYBBOGBVOG-UHFFFAOYSA-N 423.521 1.973 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2nsnc2c1 1722296684 UEGWBRDZDKTOCT-OCCSQVGLSA-N 416.532 1.691 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccccn2)CC1 1722440070 AVOZRFMNFFNMTM-UHFFFAOYSA-N 404.522 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCC(=O)NC(C)(C)C)CC1 1722448800 YRXRUCWWPQRFGF-UHFFFAOYSA-N 400.527 1.426 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)C(C)=O)CC1 1722457637 IAKUDYHCMJKEFR-UHFFFAOYSA-N 401.540 1.492 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1722461644 TVRDKQBVLDALSA-LJQANCHMSA-N 407.547 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCOC2(CCCC2)C1 1722726510 CFVJYJQTYTWESO-UHFFFAOYSA-N 420.539 1.429 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1722726782 FJULMXQXQYDSSO-HOTGVXAUSA-N 420.539 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCNC(=O)[C@H]1CC 1722750274 MITJBMXQKWESIU-CQSZACIVSA-N 407.496 1.162 30 10 HDEE CO[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1729830810 QBZAYQLADNWLDQ-FOIQADDNSA-N 415.519 1.867 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1Cc2ccccc2O1 1730758775 CYFKVQTWDRCSDN-QGZVFWFLSA-N 412.494 1.786 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1740532669 KDMCYWWDOGFKRC-JKSUJKDBSA-N 424.571 1.139 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(CC(=O)N(C)C)CC1 1740594514 OXDMSVMLAVEFQI-UHFFFAOYSA-N 400.527 1.509 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(=O)OC)c1 1740600999 QFVDKJMEKDEABN-CYBMUJFWSA-N 420.495 1.184 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccc(OC)cc2)n1C[C@@]1(O)CCO[C@H]1C 1740658172 DBQJAIOKAJZIPI-MBSDFSHPSA-N 424.501 1.869 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnn(CC)c2)CC1 1740705688 KYFNPJBUTJSPDI-GOSISDBHSA-N 411.510 1.013 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)O[C@H](COC)C1 1740808938 CVGPLQGDPXIASE-STQMWFEESA-N 409.874 1.998 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1740886283 BSDQEBNAYCBEKM-AWEZNQCLSA-N 404.540 1.893 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@](C)(O)c1ccccc1 1740890753 IDMUGBFMJGOEFO-DNVCBOLYSA-N 407.540 1.808 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)N2CCCCC2)CC1 1740947415 ZZTNBSZHZQZZMZ-QGZVFWFLSA-N 421.567 1.595 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1747996864 CDUNAXWQGIHWSK-UHFFFAOYSA-N 413.507 1.584 30 10 HDEE C#CCCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1748750987 SKNHVCJMASFLHV-GOSISDBHSA-N 402.543 1.580 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@@]1(C)COCCO1)[C@H]1CCS(=O)(=O)C1 1748815841 UHBYQDMHJHUTET-PXNSSMCTSA-N 422.551 1.368 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CCN2CCCCC2)CC1 1749014695 LZAPMXFBPPXBMZ-UHFFFAOYSA-N 400.571 1.928 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1cccn(CC)c1=O 1749049731 PTLOKVYYUIDZTR-JOCHJYFZSA-N 408.506 1.736 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1C[C@H](C)N1CCN(CC)CC1 1749064098 MFRUVKZCTRXLJA-PGRDOPGGSA-N 408.554 1.753 30 10 HDEE C=CCN(CC=C)[C@H](Cn1c([C@@H]2CCOC2)nnc1N1CCNC(=O)C1)C(C)C 1749558494 WMYHYEWMCZYBFV-QZTJIDSGSA-N 402.543 1.417 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1749670243 PAQFMKLFVXXDQN-KKUMJFAQSA-N 413.544 1.080 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCCCCO)c1 1750381909 KHZBWRSOGUCXPX-MJGOQNOKSA-N 408.506 1.942 30 10 HDEE C[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1)N(C)C 1751128353 AQOFBGDPQCIUCI-BEFAXECRSA-N 422.537 1.807 30 10 HDEE CC1(C)[C@@H]2CN(c3nnc(-c4cccc(C#N)c4)n3CCCNS(C)(=O)=O)C[C@H]21 1751284089 DRRAXUUUYZNWCI-IAGOWNOFSA-N 414.535 1.848 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCc2nccn2C1)[C@@H]1CCS(=O)(=O)C1 1760183281 PXZOQNDXIQFXCF-IAGOWNOFSA-N 416.551 1.487 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CCCCOC)[C@H]1CCS(=O)(=O)C1 1760183402 BERAAKSECQKWJR-SFHVURJKSA-N 402.520 1.998 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1760205942 NNVPEHXBQHIGSP-ZDUSSCGKSA-N 420.445 1.029 30 10 HDEE C#CCN1CCN(c2nnc(C)n2Cc2c(Cl)c(C(F)(F)F)nn2C)CC1 1760257074 NZHAXBWGEHHIGD-UHFFFAOYSA-N 401.824 1.796 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(OCC(N)=O)CC1 1760278153 ZUKLTOYTPQKTMC-UHFFFAOYSA-N 424.530 1.654 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCSCC1 1760337851 WXEYSKVYHGMXIZ-MRXNPFEDSA-N 413.613 1.631 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1760350153 WXPMKBYQPIUPCI-OAQYLSRUSA-N 409.494 1.655 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)c2ccco2)CC1 1760382839 ZFMMNPPKRDMPII-KBXCAEBGSA-N 409.512 1.545 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1ccco1 1760516480 OICJORJXNHVCIM-ZIAGYGMSSA-N 422.511 1.125 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CC[C@@H](C(=O)OC)C1 1760552824 BQJYFCOVLNRYFO-MRXNPFEDSA-N 404.492 1.545 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N(C)CCCC 1760553620 FYEYDUBVBRPRMZ-UHFFFAOYSA-N 409.512 1.843 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H]1C1CCC1 1760556233 XFBZLSYUYIIAIL-HOTGVXAUSA-N 407.540 1.599 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1760566209 OHZQBMDLXMCTHK-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCC(=O)N2)CC1 1760648997 RVLGNTLRUUCHLK-GOSISDBHSA-N 407.478 1.200 30 10 HDEE C[C@H](Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(CCC#N)CC1CC1)N(C)C1CC1 1761409711 DLWITEXPYCXZQH-WBVHZDCISA-N 420.583 1.793 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)[C@H](C)CC#N)n2CCN2CCOC[C@H]2C)n1 1762407777 DBBOXUPYYLAXRR-SJLPKXTDSA-N 400.531 1.599 30 10 HDEE CCC[C@H]1CN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1763940557 CLOZFMBUVSQPJU-DXQAYGFFSA-N 402.499 1.933 30 10 HDEE CCn1cccc(Cn2c(Cn3nc(C)cc3C)nnc2N(C)C[C@@H](C)C#N)c1=O 1765345012 IBWKFNSJKNJLRX-HNNXBMFYSA-N 408.510 1.966 30 10 HDEE CCN(c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1)C1CC1 1766510161 HHMYLMTVTCVBDB-UHFFFAOYSA-N 410.478 1.576 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2cnccn2)nnc1N1CCC(F)(F)C1 1770833174 OOZIXYUQHGEOKQ-PEZBUJJGSA-N 416.392 1.107 30 10 HDEE CN(CCCC(=O)ON1C(=O)c2ccccc2C1=O)S(=O)(=O)c1ccc(F)cc1 1772789213 BWBLIQOISPOXGK-UHFFFAOYSA-N 420.418 1.981 30 10 HDEE N#CC1CCN(C2CCN(C(=O)CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1 1848877953 VHYXPLDDIOEFOA-UHFFFAOYSA-N 424.954 1.845 30 10 HDEE COc1cccc(C#CCNC(=O)c2ccccc2C(=O)N2CCN(C(C)=O)CC2)c1 1850239835 HJEXQQQSBUYAJJ-UHFFFAOYSA-N 419.481 1.781 30 10 HDEE CCc1ccccc1N1C[C@H](C(=O)N2CCN(c3nccc(C#N)n3)CC2)CC1=O 1851783286 WHUWDHQFSQWFJR-QGZVFWFLSA-N 404.474 1.612 30 10 HDEE COc1ccc(Cc2nc(CN3CCN(c4nccc(C#N)n4)CC3)no2)cc1OC 1852377506 PNXVCKRCQMETAA-UHFFFAOYSA-N 421.461 1.661 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)c3cn4cc(C#N)cc(Cl)c4n3)C2)c1=O 1853190112 XYQKZDNIKFXYOF-CYBMUJFWSA-N 412.837 1.197 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cccnc2OC)C1=O 1854101427 WPRKVVFEJDEMDN-IRXDYDNUSA-N 400.479 1.330 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CCN1CCCC#N 1854308985 HVOVUILYBGIMPP-KBPBESRZSA-N 414.453 1.994 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN([C@H]3CCN([C@@H]4CCCCC4=O)C3)CC2=O)cc1 1856560501 WWHKVBLRKTZDJS-VQTJNVASSA-N 408.502 1.358 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(Cl)cc3)C2)CC1 1857026093 HDNYMHVIHRJSRB-OAHLLOKOSA-N 409.895 1.894 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2=O)CC1 1857073821 VQRVRQSSJJZCKS-IBGZPJMESA-N 407.449 1.585 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(C#N)cc2)CCN1S(=O)(=O)Cc1cccc(F)c1 1857086848 DOTXSZAPJPUJOQ-CQSZACIVSA-N 415.446 1.900 30 10 HDEE CC[C@H](C)C(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857127555 RZNMZINMGFJCPP-FUHWJXTLSA-N 402.539 1.882 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCN(C(=O)[C@H]2CCCC(F)(F)C2)C1=O 1857144200 OEKZLDOOICUCCL-XJKSGUPXSA-N 418.448 1.422 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)CCC(=O)c2ccccc2)C1)[C@H]1CCN(C)C1=O 1857264210 MPRRFAWOJWDXRN-HKUYNNGSSA-N 411.502 1.743 30 10 HDEE COc1ccc(OC)c(/C=C/C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1 1860732425 AKWMIULNFHLSDG-WEVVVXLNSA-N 404.444 1.250 30 10 HDEE CCCCCCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(=O)n(CC)c1 1861230653 BFASUVSHIQIRPN-QGZVFWFLSA-N 406.527 1.709 30 10 HDEE O=C(O)c1ccc([C@H]2C(C(=O)c3cccc([N+](=O)[O-])c3)=C(O)C(=O)N2CCO)cc1 1862740231 QCWIZCZWEJNBKE-INIZCTEOSA-N 412.354 1.864 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)CC1 1889365436 MJEWQOBVQKJRIZ-UHFFFAOYSA-N 411.546 1.422 30 10 HDEE CN(CCN(C)S(=O)(=O)CC1(C#N)CCOCC1)C(=O)OCc1ccccc1 2054406157 SBNUTRXLIOTDJM-UHFFFAOYSA-N 409.508 1.837 30 10 HDEE N#Cc1ncccc1C[S@](=O)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2074696428 RELRVTNOHYWKBT-WVDZOPJMSA-N 401.444 1.972 30 10 HDEE C=CC[C@](C)(CO)CNS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2082043248 GPDSJIXPFMUNDH-FQEVSTJZSA-N 408.520 1.803 30 10 HDEE C#CCCN1CCC[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2139203443 ZZLLBHJDMHRAJP-KRWDZBQOSA-N 417.531 1.470 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@H](NS(=O)(=O)N2CCC(C#N)CC2)CCO1 2174781320 DZFHANSPZNQXNB-CABCVRRESA-N 402.517 1.129 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)c2cncc(C#N)c2)C1 2174788194 BSTAXAMAFPCGGH-NRRJATNASA-N 414.509 1.749 30 10 HDEE CCN[C@H](CC#CCOC)[C@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197747239 CUKLYMRRQONECQ-HZPDHXFCSA-N 402.557 1.817 30 10 HDEE CO[C@@H]1C[C@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243394266 FLIFDHQATBMVQS-HUUCEWRRSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CC=C[C@@H]1C(=O)N=c1nc(B2OC(C)(C)C(C)(C)O2)[nH]s1 2243684776 GTCPFTQGHVBHLX-LLVKDONJSA-N 422.316 1.373 30 10 HDEE Cc1c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247774218 UWUPFMFCCBLXTF-CHWSQXEVSA-N 420.319 1.423 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1[C@H]2NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247815052 WTHSQGTWFCSYKA-XBFCOCLRSA-N 418.303 1.447 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)nnn1C 2247930409 RWSLXUGTEZKNHL-UHFFFAOYSA-N 413.331 1.318 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248055225 KVDBQPIWLZPRDV-UHFFFAOYSA-N 410.283 1.164 30 10 HDEE C[C@@H]1CSC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267466641 DUEZOGPUZDQJRP-MNOVXSKESA-N 404.388 1.613 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1N 2267709719 GZFIJMZSLHSPCW-GXSJLCMTSA-N 406.766 1.668 30 10 HDEE CO[C@@H]1CN(C)C[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939799 HPCXUUPUWJDISO-VXGBXAGGSA-N 400.737 1.760 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@@]3(CO)CCCNC3)sc2Cl)OC1(C)C 2281961117 IXLGSKVXWDEZED-KRWDZBQOSA-N 400.737 1.545 30 10 HDEE CCO[C@@H]1C[C@H](N)[C@H]1NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282057259 DWHMXGQZSOENIT-DMDPSCGWSA-N 400.737 1.935 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3nccc(O)n3)cc2Cl)OC1(C)C 2282304496 LDITTZKZTKWRJZ-UHFFFAOYSA-N 417.705 1.997 30 10 HDEE CCN([C@@H]1CCNC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282311517 JMOSFSBAXYAMDI-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@H](C)N[C@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282312527 XPUCZDGAHUPRPQ-BETUJISGSA-N 400.375 1.727 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@]2(C)CO)sc1B1OC(C)(C)C(C)(C)O1 2282320559 KDLVOFNRQZMOMZ-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE CCN(C[C@@H](C)N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282494795 CNZJIQDRPLTPNW-GFCCVEGCSA-N 402.753 1.997 30 10 HDEE CC(C)(CN)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282847189 VOUMVJZZUWUNMH-UHFFFAOYSA-N 402.753 1.902 30 10 HDEE CS[C@H]1C[C@H](CNS(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282849238 YFXZWGUHGUKGTH-HAQNSBGRSA-N 401.363 1.139 30 10 HDEE CC1(N)CCC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282852471 PQUFFBNBUAHPDO-UHFFFAOYSA-N 400.375 1.986 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1CN 2282883513 BKONQILWLDKHEB-OLZOCXBDSA-N 400.375 1.653 30 10 HDEE CC(C)(CCNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(=O)O 2284401828 DUFYMCIOHXCMJM-UHFFFAOYSA-N 403.331 1.827 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(O)c(OC)c1 2330742519 FMNCURXQHRMSOO-UHFFFAOYSA-N 420.495 1.129 30 10 HDEE CN[C@@H](C#CC1(SC)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336245564 JHKJMGCEPPPXQI-LSDHHAIUSA-N 402.582 1.898 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCOC[C@H](F)C1 2361993257 WTDWEUSGVTZNCX-GFCCVEGCSA-N 405.322 1.715 30 10 HDEE CC[C@@H]1CC[C@@](O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CN1C(=O)OC(C)(C)C 2365170034 GGZGYQKAFYSXSF-KUHUBIRLSA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](CC[C@]2(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365172171 VBFYBABVAQPYOU-QCUYGVNKSA-N 400.541 1.148 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H]([C@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O)C1 2365210221 HPNNOOICOPGQND-YGTYGHESSA-N 402.557 1.585 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](O)[C@H](N)C#CC2(S(C)(=O)=O)CCC2)CCCC1 2367812118 PQGXFYSOXMURGW-CABCVRRESA-N 400.541 1.483 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCOCC2)[C@@H]1[C@H](O)C#CC(C)(C)S(C)(=O)=O 2381419039 JSPDWGIZVSAKIH-CABCVRRESA-N 401.525 1.590 30 10 HDEE COc1ccc(N2/C(=N/C(=O)CCCC(=O)O)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 16741085 PRWSMYRCUIFQAY-NERIXLHVSA-N 412.489 1.552 30 10 HDEE CN[C@@H](C#N)Cn1cnc(I)c1I 306369677 BTMXSBZFFOXCRB-YFKPBYRVSA-N 401.977 1.204 30 10 HDEE N#C[C@]1([C@H](O)c2c(Br)cncc2Br)CCS(=O)(=O)C1 394544136 WOLBDDDJPGGZBP-GHMZBOCLSA-N 410.087 1.968 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC(NC(=O)c2ccoc2C)CC1 430388484 POJFSTGUBACVFP-CRAIPNDOSA-N 403.479 1.406 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)CC1 437634199 JIPOGFBCWSXYIQ-HNNXBMFYSA-N 402.495 1.860 30 10 HDEE N#CC1CCC(CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 443336735 YLDHQUYQPYPIKV-UHFFFAOYSA-N 404.492 1.512 30 10 HDEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 448033547 CSNJVLAXSYOWKT-UHFFFAOYSA-N 409.508 1.845 30 10 HDEE COc1cc(C(=O)NCCOc2ccc(C#N)cc2)cc(Cl)c1OCC(N)=O 460261973 LHCHHEYLTRKTRE-UHFFFAOYSA-N 403.822 1.893 30 10 HDEE N#Cc1ccc(OCCNC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)cc1 460264620 PINGQMFOCMJRHL-LJQANCHMSA-N 417.425 1.830 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1ccc(-n2cncn2)cc1 464818311 LLFCASXXKNZGSK-HOTGVXAUSA-N 417.477 1.910 30 10 HDEE Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(c3nccn(C)c3=O)CC2)c1 466726869 LRTYLSAPQPBFSH-UHFFFAOYSA-N 408.506 1.466 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 486344139 UDSWYOQKIROZQM-RHSMWYFYSA-N 409.464 1.409 30 10 HDEE Cc1ncc(S(=O)(=O)NC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)cc1C#N 489841884 LEPDNFCKQGCVPU-UHFFFAOYSA-N 407.883 1.826 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1 499775910 WACOOAORGLXMFX-UHFFFAOYSA-N 409.471 1.441 30 10 HDEE C[C@@H](C(=O)N(C)CC(=O)NC1CC1)N1CCN(c2c(C#N)cnc3ccccc23)CC1 500604633 RBQCCKZQIGQUHV-INIZCTEOSA-N 420.517 1.354 30 10 HDEE CN1CCCC[C@H]1CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CC1 501133054 JGGUFNHOBRNZMX-FQEVSTJZSA-N 418.563 1.102 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H](C)O1 503167056 VRCXRAMGLWUJLT-OKILXGFUSA-N 421.479 1.282 30 10 HDEE CN1CCN(S(=O)(=O)c2cccc(NC(=O)N3CCC(C)(C#N)CC3)c2)CC1 506896047 HHEOZLLKNMVIPT-UHFFFAOYSA-N 405.524 1.780 30 10 HDEE COc1ccc(CN2CCN(CC(=O)N[C@@](C)(C#N)C(C)C)CC2)c(OC)c1OC 511072847 MQVWVCBEHBYETJ-QFIPXVFZSA-N 418.538 1.884 30 10 HDEE COC(=O)C[C@@](C)(NCC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)c1cccc(F)c1 513122446 NWXYCKWQQWCVJQ-SIKLNZKXSA-N 418.513 1.886 30 10 HDEE N#Cc1ccc(N2CCN(c3ncc(C(=O)N4CCOCC4)cc3Cl)CC2)nc1 513192311 IESMJEIVYIGXKD-UHFFFAOYSA-N 412.881 1.801 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCn2cnc3c(nnn3-c3ccccc3)c2=O)c1 513785080 FRDBAGPMVIVGQB-UHFFFAOYSA-N 406.427 1.323 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2cnn(-c3cccc(Br)c3)c2)CC1 516991482 UHTAUVAOLISGPN-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE Cc1noc(CN2CCN(C(=O)CCC(=O)N(CCC#N)c3ccccc3)CC2)n1 523155007 TZNOFQABBDGWDM-UHFFFAOYSA-N 410.478 1.749 30 10 HDEE CN1CCC(C#N)(NC(=O)c2n[nH]c3ccc(I)cc23)CC1 525210005 LPMBPAFNLJTRFO-UHFFFAOYSA-N 409.231 1.885 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 540531758 KFENTDLUOKPLQS-QRFRQXIXSA-N 406.504 1.814 30 10 HDEE N#Cc1ccc(Oc2ccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2)cc1 541670554 RFDNLDMSGYSMLX-SFHVURJKSA-N 406.442 1.832 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](NC(=O)CCC)C1 549281905 AVUIZWGVEMTVRJ-CVEARBPZSA-N 409.556 1.641 30 10 HDEE Cc1ccc(-n2nc(CCCNS(=O)(=O)Cc3cc(C)on3)c(C#N)c2N)cc1 551167965 OHZYLOLRVQUUJY-UHFFFAOYSA-N 414.491 1.983 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N[C@@H]1CCCC[C@H]1c1ccccc1 552155835 GMMSAMUECYURTH-FUHWJXTLSA-N 408.506 2.097 30 10 HDEE CCN1CC[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1cc(F)c(F)c(F)c1 554016040 QBUHDWSLFBPVNP-PBHICJAKSA-N 407.400 1.702 30 10 HDEE Cc1nc([C@H]2CCCCCN2C(=O)CNS(=O)(=O)c2cccc(C#N)c2)no1 574371645 HECBXZFUOPXJBJ-MRXNPFEDSA-N 403.464 1.672 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCC1(CC#N)CC1 579758933 RJLIKKLNMJMUNU-UHFFFAOYSA-N 420.535 1.445 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2cccs2)c(=O)n1C[C@H]1CCCO1 603798467 LOJNFRYFRUUOMX-CQSZACIVSA-N 417.556 1.570 30 10 HDEE N#Cc1ccc(CNC(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)c(F)c1 609252336 BGYOTIZTCUFDFX-UHFFFAOYSA-N 401.486 1.973 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H]2CC(=O)N(c3cccc4ccccc34)C2=O)CC1 614562098 LIVXTUXSXYSLAK-HXUWFJFHSA-N 406.486 1.392 30 10 HDEE NCC#Cc1ccc(Cl)cc1NS(=O)(=O)CCN1C(=O)c2ccccc2C1=O 703972327 SMXMWGWRPFZQHZ-UHFFFAOYSA-N 417.874 1.688 30 10 HDEE Cc1ccc(-n2c(=C(C#N)C(=O)NC(C)C)sc(=Cc3ccoc3)c2=O)cc1F 727415976 ATYVHDSZFTZSSG-UHFFFAOYSA-N 411.458 1.967 30 10 HDEE COc1ccc(OC)c(C=NOCC(=O)N(CC(C)C)[C@H]2CCS(=O)(=O)C2)c1 727484782 UVFPXWQHUZAJSU-INIZCTEOSA-N 412.508 1.726 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NC[C@H](c1ccco1)N1CCCCC1 732439042 DMQYXSBNGDVXQK-RAJOGRCSSA-N 401.467 1.632 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CC(C)C 744940387 DGFAIGZIFMTMBT-YJBOKZPZSA-N 415.490 1.930 30 10 HDEE COC(=O)c1ccsc1N1CC[C@H](NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)C1=O 746781286 RRLBXMZOZFWSPS-HIFRSBDPSA-N 417.491 1.022 30 10 HDEE COc1ccc(CNC(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1C#N 747429987 DIKHPMFILBDTHS-UHFFFAOYSA-N 424.523 1.149 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(-n2cc(Br)cn2)nn1 750424755 FHIIEBXXJQYMIM-MRXNPFEDSA-N 421.255 1.636 30 10 HDEE C[C@@H](C(=O)OCC(=O)N[C@@](C)(C#N)C1CC1)c1ccc(S(=O)(=O)N(C)C)cc1 752612535 CLOBFTZNFFHDEO-YJYMSZOUSA-N 407.492 1.392 30 10 HDEE CCc1c(C(=O)OCCOc2ccc(C#N)cc2)cnc2c1c(=O)n(C)c(=O)n2C 754352163 ZEXFAMXZKLYNLF-UHFFFAOYSA-N 408.414 1.302 30 10 HDEE CC(C)C[C@@H](C)C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 765525676 CQESBCFYJWOIJA-MRXNPFEDSA-N 421.519 1.617 30 10 HDEE CCOC(=O)[C@@H]1CCCN1S(=O)(=O)NC(=O)C(C)(C)Oc1ccc(C#N)cc1 766347986 AUEJPKAIHMMNLL-HNNXBMFYSA-N 409.464 1.104 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)NC(=O)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 766985709 DXTBQQCYOWVHPI-LSDHHAIUSA-N 414.439 1.947 30 10 HDEE COC(=O)c1cc(F)ccc1COC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1 767682760 XJGIXYYYLADTTA-LBPRGKRZSA-N 420.418 1.894 30 10 HDEE C[C@H](C[C@H]1COCCN1C(=O)OC(C)(C)C)NCCN/C(O)=C1/N=CC=CC1=O 768686984 CIUVXHIIWWZTBF-MPOGACDISA-N 408.499 1.517 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)ccc1[N+](=O)[O-] 770644024 GIXFYUHIMFVMAG-AWEZNQCLSA-N 412.427 1.032 30 10 HDEE CC(C)(C)c1nc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)no1 771168997 GYIUTBXOBFAOSW-UHFFFAOYSA-N 404.496 1.208 30 10 HDEE CCc1nnc(N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(C#N)c1CC 771182560 WSSHHZZQDOTMKV-UHFFFAOYSA-N 416.526 1.989 30 10 HDEE C[C@@H](CC(=O)Nc1cc(-c2nccn2C)[nH]n1)/N=C1/NS(=O)(=O)c2ccccc21 772483866 MBDAGKYNABVIJP-NSHDSACASA-N 413.463 1.266 30 10 HDEE Cc1c(Br)cc(C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)c(=O)n1C 774031891 VQPDBUMYSDXJCK-UHFFFAOYSA-N 424.276 1.588 30 10 HDEE C#CCN(C(=O)NCc1ccc(F)cc1Br)[C@H]1CCS(=O)(=O)C1 774190015 WBAVBWAKEGOQNP-ZDUSSCGKSA-N 403.273 1.920 30 10 HDEE C#CCN(C(=O)N[C@@H](CC)CS(=O)(=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774254276 JNOLSAWYJFVMDV-HOTGVXAUSA-N 412.533 1.071 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)CCCOC(=O)[C@@H](O)c2ccc(C#N)cc2)cc1 780208852 FIIYSUYMUMUZFT-IBGZPJMESA-N 416.455 1.957 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 783608694 KRGUEWDWVVDPGY-INIZCTEOSA-N 411.304 1.256 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790811293 RBASFVZCOFRKPY-KXBFYZLASA-N 415.556 1.730 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)[C@H](C#N)C1 790871108 NHRBQQGYEZUBFP-GDBMZVCRSA-N 408.455 1.876 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNC(=O)C(=O)NCc1ccc(C#N)cc1F)C1CC1 793633902 UKZMRGTWJLTPNY-INIZCTEOSA-N 404.442 1.733 30 10 HDEE C#C[C@@H](NC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 794910113 DVIMWTXCEGXQLC-MSOLQXFVSA-N 407.401 1.547 30 10 HDEE C#Cc1ccc(C(=O)N[C@@](C)(C(=O)OCC)c2ccc(S(C)(=O)=O)cc2)cn1 797583570 ZNRRKMBLYZWIMR-HXUWFJFHSA-N 400.456 1.675 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC1)n1cnc(C#N)n1 798425025 VIFGORGVGKWBIN-LLVKDONJSA-N 423.355 1.987 30 10 HDEE C#CCN(C(=O)Nc1nnn(Cc2ccccc2F)c1C)[C@H]1CCS(=O)(=O)C1 801808421 NWKCJCVSTDJOAY-HNNXBMFYSA-N 405.455 1.428 30 10 HDEE CCn1nc2c(cc1=O)CN(c1nnc(-c3cccc(C#N)c3)n1CCOC)CC2 802371172 QYCFJZXGMZKWJK-UHFFFAOYSA-N 405.462 1.602 30 10 HDEE C[C@@H](OCC(=O)NS(=O)(=O)c1ccc(C#N)cc1C(F)(F)F)c1nccn1C 805864336 STBJLIWXBFIMDA-SNVBAGLBSA-N 416.381 1.893 30 10 HDEE CC#CCS(=O)(=O)NC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 810773411 CXIISEBIROZTJF-UHFFFAOYSA-N 418.924 1.210 30 10 HDEE C=CC1=C[C@@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O 936070045 LIEIOJNANXUNDT-PJUBBZNESA-N 405.447 1.356 30 10 HDEE in-vitro CCc1noc(C[C@@]2(O)CCCN(C(=O)[C@H]3CC(=O)N(c4ccc(C#N)cc4)C3)C2)n1 1118797091 HMXJAOFZZCQYPA-AOMKIAJQSA-N 423.473 1.453 30 10 HDEE Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O 1128016463 QTPABYHOSNPJKC-MRXNPFEDSA-N 401.444 1.789 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)n1 1128672295 JTTWYAIFIXSRHL-PZJWPPBQSA-N 412.465 1.850 30 10 HDEE Cc1cc(C)c(C#N)c(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)n1 1130815081 MSTVEHUSIOPUGF-AWEZNQCLSA-N 401.467 1.976 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NC[C@]12COCCN1C(=O)COC2 1132364455 IHMMESDNJANVHF-GOSISDBHSA-N 414.380 1.628 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(-c3ccc(C=O)o3)ccc2O)CC1 1136632803 MNZYFPAKLJDIJF-UHFFFAOYSA-N 409.442 1.362 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)n1 1139833222 DZGOHTGNXVYLFX-QGZVFWFLSA-N 415.881 1.192 30 10 HDEE CC(C)(C)OC(=O)N1CCCO[C@H](CNC(=O)C#Cc2ccc3c(c2)OCO3)C1 1140621506 CXGWXMLJOBZZPO-MRXNPFEDSA-N 402.447 1.909 30 10 HDEE CC(C)N1CCN(CCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)CC1 1141514821 FJAXGECEJGLWGJ-UHFFFAOYSA-N 423.565 1.791 30 10 HDEE CN(C)C(=O)c1cccc(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1 1141588807 HYAGJBWYYCNFAU-UHFFFAOYSA-N 403.435 1.755 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)Cn2cnc(N)n2)cc1 1141966512 FBUFCIKGGBGHCJ-JCMHNJIXSA-N 405.484 1.092 30 10 HDEE C=C(C)CONC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1144639764 COMWDDYSUXPIAN-UHFFFAOYSA-N 413.471 1.063 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(=O)N(C)c2ccccc2C1 1147755416 OWTUPFXPJABCDT-CQSZACIVSA-N 412.471 1.230 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCC(=O)c1cc2c(s1)CCCC2 1157768907 ZOZBRRYWRRNZDX-UHFFFAOYSA-N 417.512 1.665 30 10 HDEE COc1ccc(C(=O)N[C@@H](C#N)CO)cc1S(=O)(=O)N1CCCc2ccccc21 1157962783 JGMDOYOINDVRGC-INIZCTEOSA-N 415.471 1.451 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2CS(=O)(=O)Cc3ccccc32)c1 1167621777 HEENFXIZEYNQCV-IBGZPJMESA-N 417.508 1.883 30 10 HDEE N#Cc1cncc(CNC(=O)c2cc(S(N)(=O)=O)c(Br)s2)c1 1178373027 BWTPLQXDVJMJJP-UHFFFAOYSA-N 401.267 1.355 30 10 HDEE CCN([C@@H](C)C#N)S(=O)(=O)c1cc2c(cc1Br)n(C)c(=O)n2C 1192972169 HBOFWHQEAXERCX-VIFPVBQESA-N 401.286 1.562 30 10 HDEE N#Cc1ccccc1N1CCCN(C(=O)NCc2nc(C3CCOCC3)n[nH]2)CC1 1254042070 RZIQVEKVFBXCFM-UHFFFAOYSA-N 409.494 1.992 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1286297326 VVPPBMIDMPDUCB-CVEARBPZSA-N 409.556 1.649 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CCC)CC1 1286297328 VVPPBMIDMPDUCB-HOTGVXAUSA-N 409.556 1.649 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1Cc1cnn(C)c1)[C@@H]1CCS(=O)(=O)C1 1286393560 QTXBNOMZJPPEEH-GOSISDBHSA-N 416.551 1.419 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1CCCc1nnc(C)s1 1286395950 BVCCMUYUJHPJSA-UHFFFAOYSA-N 420.502 1.791 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1286398531 KPQYQABGRTVDNM-XMTFNYHQSA-N 422.551 1.429 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N(C)CC1COC(C)(C)OC1 1286785714 QNPRLAQSVCFPIV-UHFFFAOYSA-N 402.499 1.421 30 10 HDEE C=CCNC(=O)Cn1c(Nc2ccn(C)n2)nnc1-c1cnn(-c2ccccc2)c1 1286793670 IYVFFSTZLCLZQF-UHFFFAOYSA-N 403.450 1.910 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(-c2nc[nH]n2)cc1 1288099540 DGABEHWJPRRADM-FQEVSTJZSA-N 423.456 1.692 30 10 HDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCC(=O)N(C)C 1293097276 FHQXTDVNVGNZLY-UHFFFAOYSA-N 412.498 1.382 30 10 HDEE C=CCNC(=O)CNC(=O)[C@]1(NC(=O)OC(C)(C)C)CCc2c(OC)cccc21 1295643636 JCONPQBWVLKKMK-NRFANRHFSA-N 403.479 1.780 30 10 HDEE C=C(C)Cn1c(SCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)nnc1-c1ccco1 1297519138 VYFIDDYBUUEUFV-JKSUJKDBSA-N 417.535 1.874 30 10 HDEE CN(CC1CC(F)C1)c1nnc(CC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1298488880 FMCZAPVEVJPTBB-VHEBQXMUSA-N 402.474 1.941 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)cc1 1299685499 SYIMSNQEBUAPDD-QGPMSJSTSA-N 421.519 1.748 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@](C)(O)CCOC 1300538741 UXTYUOPYCPPQLO-SIKLNZKXSA-N 410.474 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCCC2)nc1 1300554070 ZGGJLCGYAMAROT-UHFFFAOYSA-N 419.533 1.923 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1CCOc1ccc2c(c1)OCO2 1300581238 PTYOFQIYJDMTIR-KRWDZBQOSA-N 421.457 1.500 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](C(CC)CC)N1CCOCC1 1300621563 NFUIGRQKDBAIFA-RBUKOAKNSA-N 416.570 1.826 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCCC2(C)C)CC1 1300681603 VNQWZIUCZUITMV-QFIPXVFZSA-N 414.554 1.211 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300754738 GQBOVRSONCGOEQ-FQEVSTJZSA-N 413.551 1.403 30 10 HDEE COC[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1300984378 AZYAGMZQFZIOGB-ZHRRBRCNSA-N 424.505 1.870 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2noc(C)n2)C1 1301050653 CPVPMACQHZCNFM-ZDUSSCGKSA-N 407.862 1.422 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1301185787 KOBCAOKVKABLCS-CVEARBPZSA-N 409.556 1.989 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(N2CCCC2)nc1 1301297171 MTUNVHGVGFIXJO-QGZVFWFLSA-N 416.551 1.846 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(c2ncc(F)cn2)CC1 1301491154 FEOOSBPOLZWKQS-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(F)(F)F)CC1 1301500378 LXQOFXUDILQZFO-AWEZNQCLSA-N 416.448 1.506 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(C(=O)NCC)CC2)nnc1C(C)(C)C 1301596518 QSWDLJBCWVMRGY-UHFFFAOYSA-N 412.560 1.028 30 10 HDEE C[C@H](CC(=O)N1CCCCCCNC(=O)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1302255027 DYPJXXPBCZNHJJ-OAHLLOKOSA-N 420.535 1.413 30 10 HDEE CSCCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1302754248 GDJBHTZDVIJWQU-MRXNPFEDSA-N 405.572 1.736 30 10 HDEE C=CCCC[C@@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(C1CC1)C2=O)C(=O)OC 1303688680 ZFKXIJDWYCQBTL-OAHLLOKOSA-N 406.460 1.621 30 10 HDEE O=C(Cn1c(O)nnc1O)N1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1304252971 TYFGKNNAMDVPAY-WHFBIAKZSA-N 410.221 1.319 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCC2(C)CCC3(CC2)OCCO3)c1 1304384492 LTROJHJLZFJJGR-UHFFFAOYSA-N 406.504 1.651 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)OC)c2Br)C1 1309843878 MZXRSNYZCWSPHU-LBPRGKRZSA-N 415.309 1.612 30 10 HDEE C#CC1CCN(C(=O)Nc2ccc(C(=O)O[C@H](C)C(=O)NCCOC)cc2)CC1 1310708940 FXSXLWTXZRQONU-OAHLLOKOSA-N 401.463 1.872 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H]3CCO[C@@H](c4ccc(F)cc4)C3)C[C@H]1CS(=O)(=O)C2 1312470859 QBDJASXMTGXCJY-ITQYTPKQSA-N 407.467 1.626 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(O)CC1 1314741249 MVHZTKAUJRPYRU-INIZCTEOSA-N 401.492 1.213 30 10 HDEE CO[C@H]1COCC[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315733335 BKADMOARJYTIOD-UXHICEINSA-N 424.505 1.537 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2ccc(NS(=O)(=O)CC)cc2OC)C1 1325228985 VLNGQEIEVFCWFT-AWEZNQCLSA-N 404.510 1.422 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(S(C)(=O)=O)cc2)n1C[C@@H]1CCCCO1 1343813295 ASYHBCLHONIOAT-SFHVURJKSA-N 412.515 1.991 30 10 HDEE CN1CCC(C#N)(NC(=O)CCS(=O)(=O)c2cccc(Br)c2)CC1 1358275951 TUZXFXLOQLDZPT-UHFFFAOYSA-N 414.325 1.717 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CCS(=O)(=O)CC 1358971178 KTNWCTSSJWJBOO-UHFFFAOYSA-N 424.324 1.543 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCC(C)(C)C)CC1 1359035733 CJFOSSWTEDTMDO-QGZVFWFLSA-N 407.584 1.762 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](Cn2cccn2)C1 1359225602 DWRFZGLSRMYJDM-SFHVURJKSA-N 412.498 1.373 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COc2ccccc2O1 1359278487 WQVCRSNFSKCUOW-MRXNPFEDSA-N 415.494 1.895 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1359291442 QHAHUWVLLUIDNH-INIZCTEOSA-N 414.485 1.852 30 10 HDEE C=CCOc1ccc(Cn2c(CC)nnc2N2CCN3C(=O)N(CC)C(=O)[C@H]3C2)cc1 1359308547 QYTUNDDQINHBBY-GOSISDBHSA-N 424.505 1.926 30 10 HDEE COCCn1cc(N2C[C@@H](C(=O)N[C@@]3(C#N)CCc4ccccc4C3)CC2=O)cn1 1435936407 BJKUPPFDOIRGIO-AVRDEDQJSA-N 407.474 1.450 30 10 HDEE CSC1([C@H](C#N)N(C)C(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 1438772648 VRTZLAPTHWTZOG-KBPBESRZSA-N 410.540 1.700 30 10 HDEE CC(C)N(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1442581616 KKCJZGAVJPZMBG-OWCLPIDISA-N 413.540 1.807 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCCN2C(=O)CCC2=O)C1 1443335394 MGGHEDSFIPXKDR-UHFFFAOYSA-N 419.279 1.412 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CC1 1445681623 AQDFTDVSTZDUNH-UHFFFAOYSA-N 404.492 1.059 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(O)cc(Br)cc2Cl)C1=O 1449126705 ZEHXUHYYDQJKDR-UHFFFAOYSA-N 416.615 1.723 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(CC(=O)OC(C)(C)C)CC2CC2)cc1 1452880686 BUTMGFOGFIADHP-UHFFFAOYSA-N 406.504 1.792 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C(=O)OCC 1454716451 WOLZVSNRABUECY-CQSZACIVSA-N 406.863 1.880 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 1460356573 REVIJNWFHCXSDQ-UHFFFAOYSA-N 419.566 1.905 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1461420769 DUBSNJHEZJKXLT-MQYQWHSLSA-N 420.428 1.957 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 1462375388 GIYYUWFDWNUMFL-MRXNPFEDSA-N 409.533 1.567 30 10 HDEE C[C@H]1CN(C(=O)C/N=C2/NS(=O)(=O)c3ccccc32)c2cc(F)c(F)cc2O1 1462948253 MVEQCRTWLNPSFO-JTQLQIEISA-N 407.398 1.817 30 10 HDEE CCOc1ccc(NC(=O)c2nc(O)c(C#N)cc2C)cc1S(=O)(=O)N(C)C 1463739969 WPTGMISQNCEZNZ-UHFFFAOYSA-N 404.448 1.869 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2CCc3c(Br)cccc32)c(=O)nc1O 1464786413 CGIJIGVNVAQDOZ-CQSZACIVSA-N 403.236 1.777 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(=O)OCC)C(F)(F)F)c1 1469878760 HJQDXNJSJMFCMD-ZDUSSCGKSA-N 408.398 1.765 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N[C@@H](CO)c1nncn1C 1470343811 QZMFWRJNUJWTPA-LBPRGKRZSA-N 424.255 1.077 30 10 HDEE CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)[C@H]3CCC[C@H]3C#N)c2)CC1 1471051971 XVOBTJBBLXWOQR-HKUYNNGSSA-N 418.519 1.304 30 10 HDEE O=C1c2ccccc2C(=O)N1CC#CCSc1nnc(N2CCOCC2)s1 1472980538 IMFRYNHRSMJIPO-UHFFFAOYSA-N 400.485 1.766 30 10 HDEE COc1cccc(CC(=O)N2CCN(C[C@H](O)COc3ccccc3C#N)CC2)c1 1473127818 CMDGAWATRTZZBZ-FQEVSTJZSA-N 409.486 1.693 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2CCN(c3oc(C4CC4)nc3C#N)CC2)C1=O 1473236471 QBTPPRWIOXBXML-MRXNPFEDSA-N 415.494 1.488 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cc(Br)cc(C(=O)OC)c1)C1CCOCC1 1475515431 RZUBHBGIOMJYEL-OAHLLOKOSA-N 416.293 1.942 30 10 HDEE C[C@H]1C[C@@H](C)CN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1493243617 HOOGOBNACHVFAK-IHCANNCPSA-N 414.510 1.791 30 10 HDEE CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C[C@@H]1C 1502320671 MMTQWRAKWHYNLT-AOMKIAJQSA-N 407.522 1.825 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@@H]2CCOC[C@@H]2OC)CCOC1 1502681386 HTLHFRODKCLVOP-CPLUKWAASA-N 423.489 1.424 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@@]2(CCOC2)C1 1507554363 QSGYUMWDHQKAGB-NRFANRHFSA-N 403.527 1.996 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCn1ccnc1C 1507646017 OYVZOEOZJJOMGV-UHFFFAOYSA-N 402.458 1.994 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC1([S@](C)=O)CC1 1507707291 VMLLIXWKXWCTQK-LJAQVGFWSA-N 417.491 1.850 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(COC)c2)CC1 1507716296 PUHOPTZNZKCGEB-UHFFFAOYSA-N 422.533 1.464 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1507784750 LTRJMUIDHXAHJU-GFCCVEGCSA-N 407.334 1.562 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@@]1(OCC)CCOC1 1507807621 FBDFHRQWGPQKHL-DCXXXQMHSA-N 417.510 1.640 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN(CC)C2CC2)CC1 1507895924 FDJFAYISEPEFDV-HNNXBMFYSA-N 410.588 1.775 30 10 HDEE CC(C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1509334556 NSLKULUKDNAAMX-MRXNPFEDSA-N 413.482 1.717 30 10 HDEE Cc1nnc(CCCn2c(CN3CCCC3=O)nnc2N(C)[C@@H](C)CC#N)s1 1511737506 WXEZMNGWWAWWJB-ZDUSSCGKSA-N 402.528 1.932 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)c(Cl)n3)CC2)cs1 1525014477 HIZHRMJXVZVLFK-UHFFFAOYSA-N 411.896 1.518 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 1526784681 XHNHVERLULCIFY-ZSEKCTLFSA-N 421.461 1.887 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2cn(C)nn2)cc1 1527665216 HGNRMOQFZYPIGB-RELWKKBWSA-N 418.523 1.979 30 10 HDEE COc1ccc(C#N)cc1NC(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1528611796 BYKGKYUGOAPQMN-ZDUSSCGKSA-N 402.451 1.973 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CN1C(=O)N[C@@](C)(c2cc(C)ccc2OC)C1=O 1534412912 VTKUVXCUEAVWJB-BTYIYWSLSA-N 401.463 1.315 30 10 HDEE CC(C)(C)n1ncc(C(=O)NC2CCN(CC#N)CC2)c1I 1537523159 ZOHYRAIGYLFWGL-UHFFFAOYSA-N 415.279 1.960 30 10 HDEE C#CCN(C(=O)[C@H]1C[C@@H](OC)CN1C(=O)OCc1ccccc1)C1CCN(C)CC1 1538304334 ALFKUVDUMOJJOB-NHCUHLMSSA-N 413.518 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC(OCC)C1 1539030889 UZFKPQDABWYXKB-BQTBQCLESA-N 417.535 1.658 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCN1CCOC(C)(C)C1)[C@@H]1CCS(=O)(=O)C1 1539201972 DFMJXIAAHLZMDX-QGZVFWFLSA-N 423.583 1.139 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1CC(=O)Nc1ccc(F)cc1 1539391862 JBDSSXVNXAUVOF-UHFFFAOYSA-N 416.457 1.280 30 10 HDEE C=C(Cl)Cn1c(C(C)C)nnc1N1CCN([C@H](C)C(=O)NCCCOC)CC1 1539774354 AXSYNJHIQYHGLJ-MRXNPFEDSA-N 412.966 1.817 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2cc(C)ccc2OC)CC1 1540872272 IRPGUFKVNPLFOK-UHFFFAOYSA-N 412.538 1.782 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H](OCCC)c2ccc(F)cc2C)CC1 1542894982 VMSUYXNLHSGZCT-NRFANRHFSA-N 403.498 1.886 30 10 HDEE C#CCN(CC(=O)NCCC(=O)NCCCc1c[nH]nc1C)C(=O)OC(C)(C)C 1543520831 YKXPXEWAGYYZBI-UHFFFAOYSA-N 405.499 1.144 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2CCC2(O)CCOCC2)C1 1555984999 GGJCUUMNUNKURF-LJQANCHMSA-N 400.458 1.637 30 10 HDEE COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1556083498 CQDONDPGNLJXKT-INIZCTEOSA-N 404.467 1.261 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCC2(O)CCC(F)(F)CC2)cc1 1557624689 JNNXHLMETNEQRG-UHFFFAOYSA-N 401.435 1.549 30 10 HDEE C[C@@]1(Cc2cc(F)c(F)c(F)c2)CCCN1C(=O)Cn1cc(C#N)c(O)nc1=O 1558127928 ICOLIGGCJZQYGJ-IBGZPJMESA-N 406.364 1.862 30 10 HDEE C#C[C@@H](CO)NS(=O)(=O)c1c(Br)cc(F)cc1Br 1561602631 WEIOHQLLUJNTTF-ZETCQYMHSA-N 401.051 1.623 30 10 HDEE O=C1Oc2ccccc2C(=O)/C1=C/NCCn1ccc2c(cnc3ccnn32)c1=O 1565524585 MDEDKSDCEVGZLG-PTNGSMBKSA-N 401.382 1.320 30 10 HDEE C=CCC[C@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1569184493 OYLXUKFWZPDXDS-INIZCTEOSA-N 421.519 1.862 30 10 HDEE C#CC[C@H](COC)NC(=O)c1nnn(C2CCN(C(=O)OC(C)(C)C)CC2)c1C 1587393004 YYCXCUYFJAMQLR-OAHLLOKOSA-N 405.499 1.927 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1587569030 UPFLMYGVSKEYEB-YCRPNKLZSA-N 416.526 1.741 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](COC)OC 1588200629 XXJILBFVSLTPED-IBGZPJMESA-N 420.477 1.045 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCCNC(=O)C2CCC2)CC1 1588800536 JPEYSILFHRRLPF-UHFFFAOYSA-N 409.538 1.345 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCC(=O)NCc2ccccc2)CC1 1588876986 QBVPNZKCGHCVQN-UHFFFAOYSA-N 410.522 1.276 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CCN2CC=CCC2)CC1 1588929652 FAWGLDJKUJZBKT-IBGZPJMESA-N 412.538 1.010 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCSCCCO)CC1 1588967826 BLXAOJZKQQVBCM-QGZVFWFLSA-N 421.567 1.211 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCC2=O)CC1 1589708297 IEPRBEWSGBJVCC-AWEZNQCLSA-N 410.544 1.056 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1593735612 MOHVYFFRGNXHBQ-MRXNPFEDSA-N 411.572 1.856 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2CCCCCS(C)(=O)=O)CC1 1594121895 ISFRFMYTCRGSOU-UHFFFAOYSA-N 409.556 1.772 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(NC(C)=O)nc2)C1 1595714285 NDXHSDSIJJZAEL-SFHVURJKSA-N 422.493 1.862 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC2(OC)CCC2)C1 1595723329 VHAWFHVBKZJDPW-IAGOWNOFSA-N 424.567 1.921 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)Cc2ccccc2F)cc1 1596267263 XGWYIKRXRHONEH-INIZCTEOSA-N 405.451 1.351 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C(C)(C)S(C)(=O)=O)n1 1611072726 HMZFGKKILHVZSL-UHFFFAOYSA-N 401.539 1.562 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1611287832 ZWADBLFVEMBPBI-LZJOCLMNSA-N 416.526 1.981 30 10 HDEE CC[C@H](C)c1nnc(N2CCC[C@H](OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1613282160 MQQSHJKRSCLLCQ-IUTYPILCSA-N 402.499 1.933 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CC(C)(C)CCOC 1613594289 FUKBLYJWKLABMI-INIZCTEOSA-N 406.531 1.988 30 10 HDEE CN1CCN(CC(=O)N(C)c2ccc(NC(=O)CNc3ccc(C#N)cn3)cc2)CC1 1614883765 GSCKMRSCEAISSA-UHFFFAOYSA-N 421.505 1.214 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCO[C@@H](C#N)C1 1614988995 HRAFIFWWWUCDGD-KRWDZBQOSA-N 414.466 1.121 30 10 HDEE CC(C)(C)[C@H]1CNC(=O)CN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1617688724 MXENIHVMMITSKI-CZUORRHYSA-N 402.882 1.938 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)cc1 1621629406 UFEDDSGSIHWPQX-UHFFFAOYSA-N 415.496 1.235 30 10 HDEE COC(=O)[C@H](CNC(=O)CCN/C(O)=C1\N=CC=CC1=O)Cc1ccccc1OC 1623580997 RFCRRDZYEDTOGU-CVTQAYBASA-N 415.446 1.060 30 10 HDEE COc1cc(CCNC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc(OC)c1 1623657514 CPZUGWBJSWJLML-UHFFFAOYSA-N 417.487 1.868 30 10 HDEE C[C@@H]1O[C@H](C)[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)[C@@H]1C 1624230004 ADDHQFFUWNHEKY-GJRWTSMGSA-N 405.520 1.887 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1ccccc1[C@@H](O)c1ccccn1)c1cc[nH]n1 1626811686 TXKWPDJPQJWJPB-HXUWFJFHSA-N 423.429 1.809 30 10 HDEE C#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)cc1 1627492610 HXHQYODUCIUUPV-UHFFFAOYSA-N 411.483 1.773 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 1628628102 JRCGYYSGUGMIKC-AWEZNQCLSA-N 403.416 1.428 30 10 HDEE CCOCCS(=O)(=O)NCC(=O)N(Cc1cccc(C(F)(F)F)c1)[C@@H](C)C#N 1630579107 DHMHYWHIXUVDBT-ZDUSSCGKSA-N 421.441 1.902 30 10 HDEE CCN1C(=O)c2ccc(C(=O)N(C)C[C@H](O)c3cccc(C#N)c3)cc2S1(=O)=O 1632218862 MHEHIGRFJLVQRL-KRWDZBQOSA-N 413.455 1.528 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)CC1(O)CN(C(=O)OC(C)(C)C)C1 1632784569 XTLJCJIPCYJIMQ-UHFFFAOYSA-N 405.451 1.894 30 10 HDEE N#Cc1ccc(N[C@H]2CCCN(C(=O)NCc3cccc(N4CCOCC4)n3)C2)nc1 1634566322 XYYKXVIXPXKTLT-IBGZPJMESA-N 421.505 1.971 30 10 HDEE C=CCC1(O)CCN(C(=O)NCc2nn(C)cc2I)CC1 1635211146 GNSUOBSUWZBRTQ-UHFFFAOYSA-N 404.252 1.637 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C)C2CC(NC(=O)OC(C)(C)C)C2)cc1 1635770554 QAHJYGCAZJEVIL-UHFFFAOYSA-N 421.519 1.726 30 10 HDEE COc1cc2nc(C(=O)N[C@@H]3Cc4ccc(C#N)cc4C3)c(=O)n(C)c2cc1OC 1636225323 RUZSWPDUUOYHQA-OAHLLOKOSA-N 404.426 1.720 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1637389020 ARDPIVUQMFCBAP-HZPDHXFCSA-N 410.515 1.087 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCN(C(=O)C2CC2)C1 1638306463 BTIMRJDLVXXFRZ-INIZCTEOSA-N 418.519 1.322 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 1638606268 POQYLRUNSPHKHF-FDUOBQMKSA-N 408.502 1.883 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C1 1639174881 CWWMUOZHHWFFTG-QAMTZSDWSA-N 409.508 1.030 30 10 HDEE CC(C)(C)OC(=O)N1CCC(Cc2ncc(C(=O)NCC(=O)NCC#N)s2)CC1 1640241837 KIAZFKWIKBSFQZ-UHFFFAOYSA-N 421.523 1.702 30 10 HDEE C#CCONC(=O)c1cc(Br)cn(CCNC(=O)OC(C)(C)C)c1=O 1640315427 CKTOTJVYJVHMFP-UHFFFAOYSA-N 414.256 1.430 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]1(CO)c1ccccc1 1640715640 MRBSQVVPQPJIOQ-IERDGZPVSA-N 413.499 1.735 30 10 HDEE Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCn1cc(C#N)c(O)nc1=O 1641029530 BHYUANREVGPZLP-QGZVFWFLSA-N 411.462 1.090 30 10 HDEE COC(=O)c1ccc(N2CCN(C[C@@H](O)COc3ccccc3C#N)CC2)s1 1643329329 HUBUVGZAWXGGLS-MRXNPFEDSA-N 401.488 1.968 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3C[C@H](O)CC4(CCOCC4)C3)CC2=O)cc1Cl 1643362875 CVCROGLKWUSFRW-DOTOQJQBSA-N 417.893 1.955 30 10 HDEE Cc1ccc(C(=O)N2CCN[C@H](c3ccc(F)cc3)C2)cc1S(=O)(=O)NCC#N 1644067191 UKDMFCJUZOQWQX-SFHVURJKSA-N 416.478 1.723 30 10 HDEE N#Cc1cn(CC(=O)N[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@H]32)c(=O)nc1O 1644220049 WIDQXALUGMTOOO-NWANDNLSSA-N 401.220 1.038 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC(C)(C)[C@@H](C)O)nnc12 1649102107 YWEUWLDAWBBWGW-CYBMUJFWSA-N 415.519 1.846 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)Sc2nc3ccccc3s2)CC1 1650846287 QEHRUHMKEIBHJW-ZDUSSCGKSA-N 424.573 1.389 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](Oc2ccc(Cl)cc2)C(C)C)CC1 1650849092 UAFRWXHZJVNXHQ-KRWDZBQOSA-N 413.927 1.355 30 10 HDEE N#Cc1ccc(F)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1651348541 QPCHQXNICYVKKN-UHFFFAOYSA-N 403.435 1.979 30 10 HDEE O=C(CN1CCC[C@H]2OCCNC(=O)[C@@H]21)NCC#Cc1cccc(C(F)(F)F)c1 1654597457 KJMXURCUTGKFFH-SJLPKXTDSA-N 409.408 1.153 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc2c(cc1[N+](=O)[O-])OCCO2)C(=O)OCC 1671199935 YFAOTPWMXHLKSJ-NSHDSACASA-N 400.409 1.542 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)NCCNS(=O)(=O)c1ccc(F)cc1F 1681815256 OHMHFKYMBRUGRC-CQSZACIVSA-N 401.435 1.115 30 10 HDEE C#CCN(C(=O)NCCc1sccc1Br)[C@H]1CCS(=O)(=O)C1 1683697550 CDMUKFSHLDPDSP-NSHDSACASA-N 405.339 1.885 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(Cl)c(F)c2)CC1 1685768298 SEPBPFAJOIROLX-LBPRGKRZSA-N 402.879 1.335 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](NC(=O)NCc1ccc(C#N)s1)CCS2(=O)=O 1686841768 NWVDXGKALQPDIO-JKGQDXBKSA-N 411.505 1.318 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccc(OC)cc1 1689827618 HOXFBJAZVKPOON-LSDHHAIUSA-N 405.524 1.598 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1CCC[C@H](O)C1 1689961295 RZAIRHATKYYVJE-CVEARBPZSA-N 406.490 1.813 30 10 HDEE C#CCN(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H](C(C)C)N1CCOCC1 1689978287 RGVIEPLPISVKLX-OTWHNJEPSA-N 405.543 1.428 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(O)CCC[C@@H]1C 1690067387 YMUYOESNMCMLFI-HRAATJIYSA-N 406.494 1.931 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CC1(N2CCOCC2)CC1 1690104922 MVVJAIZQIZJDNJ-UHFFFAOYSA-N 410.522 1.215 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)CCC(F)F 1690236731 QIJQQHIVEKIPSZ-NFAWXSAZSA-N 421.514 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C2CCC2)nnc1N1CCO[C@@H](CNC(C)=O)C1 1690245241 GBMKDDYNXHPRPI-QYZOEREBSA-N 403.527 1.868 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1690330961 PHHAIEMVFAYVLR-AWEZNQCLSA-N 412.922 1.749 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](N2CCCC2=O)C1 1690345847 FFFAJNZLYDFTQL-KBPBESRZSA-N 413.931 1.134 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F)C1CC1 1690545802 YZNQIEWSZRAZEA-LLVKDONJSA-N 421.445 1.014 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnn(C)n1 1690563235 KVLYWGKYIFWBKU-NRFANRHFSA-N 424.509 1.695 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1690663911 ICHCKORZALCGFZ-IBGZPJMESA-N 400.439 1.180 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCC(C(=O)NC)CC1 1690666797 HBVYNZVIBYESHI-UHFFFAOYSA-N 400.458 1.349 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1690675214 SCFOIKHICRQAQL-ZIAGYGMSSA-N 414.535 1.807 30 10 HDEE CCOCc1nnc(N2CCC[C@](C)(OC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1696301227 JXRGONDUGOKLKC-PCYKQNFTSA-N 418.498 1.346 30 10 HDEE CN(C)C(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1696585834 GAEMPJJXZZBOPQ-UHFFFAOYSA-N 407.522 1.907 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4OC(=O)O[C@H]4C3)n2CCOCCCO)c1 1698484819 OOKUXANTVATKJO-SJORKVTESA-N 413.434 1.330 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC(C)(F)F)[C@@H]1CCS(=O)(=O)C1 1705565060 FSQIRZYGAIYJMF-CYBMUJFWSA-N 410.450 1.407 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCc1c(C)noc1C)[C@@H]1CCS(=O)(=O)C1 1705570160 KNJQZSSRBBXTIP-QGZVFWFLSA-N 419.551 1.951 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2C[C@](C)(O)c2ccsc2)CC1 1705649618 CVPQFFUPRIODPX-FQEVSTJZSA-N 401.536 1.776 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)CC 1705717957 WNXJMEQJCIOKDM-CRAIPNDOSA-N 415.560 1.174 30 10 HDEE C=CCNC(=O)Cn1c(CCCc2ccccc2)nnc1N1CCN(C)C(=O)[C@H]1C 1705907544 PSYBGXYBTRWRCR-QGZVFWFLSA-N 410.522 1.423 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCCNS(C)(=O)=O)C1 1705925016 JLVADMKJNVCIIT-JKSUJKDBSA-N 413.544 1.240 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COCC)n2C[C@H]2CCCN2S(C)(=O)=O)C1 1705928949 XDDUDAAWZFVINW-CVEARBPZSA-N 413.544 1.020 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCN(C3CC3)[C@@H](C#N)C2)nnc1C(C)(C)C 1705938981 OKOGDRDWVRRXIV-INIZCTEOSA-N 406.556 1.353 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C(C)=O)CC1 1705939448 DTRWNFXUEFUFGG-UHFFFAOYSA-N 415.523 1.513 30 10 HDEE C[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N)N(C)C 1706792195 HFLHQHZXSWRYIZ-HUUCEWRRSA-N 418.571 1.927 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)C1 1706935817 ZHARKJRDDFZXLC-FRQCXROJSA-N 405.524 1.655 30 10 HDEE C[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1708073046 JWYSGHFCMJVHFW-HMWBCQRISA-N 410.482 1.441 30 10 HDEE CC[C@@H](C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@@H]1COCCO1 1708531373 UHMQXQPWHJMDBC-SJLPKXTDSA-N 411.510 1.800 30 10 HDEE COC[C@@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1712135767 UEDKBTWMWPQXKU-BMGDILEWSA-N 413.478 1.459 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(c2ncccc2F)CC1 1722335822 GYYCYQXXFUQAIM-QGZVFWFLSA-N 411.485 1.893 30 10 HDEE C#CCCCn1c(N2CC[C@H](C(N)=O)C2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 1722338926 OHSDUYFOGKSZJF-HRCADAONSA-N 416.526 1.774 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722367533 NSXJNXQTRGYJLD-DLBZAZTESA-N 416.503 1.163 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCSC1)[C@H]1CCS(=O)(=O)C1 1722368589 TUSGVSMSUFZBRW-BBWFWOEESA-N 424.592 1.552 30 10 HDEE C#CCN(CC)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1722409375 PAQUWNKTEMUODN-UHFFFAOYSA-N 410.503 1.690 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1cccc(S(=O)(=O)NC)c1 1722409710 FMYJYCATCLYJMV-UHFFFAOYSA-N 413.507 1.095 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCOC[C@@H]1OC 1722423929 UVOWNPPGIANDJV-UXHICEINSA-N 409.490 1.954 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@]1(O)CCOC1 1722424925 FIVFPVFECASCNT-QFIPXVFZSA-N 409.490 1.674 30 10 HDEE C#CCSCCn1c([C@@H]2CCCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1722458632 PJINEERGSZYYDT-GJZGRUSLSA-N 400.570 1.755 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(OC)C1 1722493520 ZBHBHZHERXWEPH-ZNMIVQPWSA-N 413.544 1.095 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCN2[C@@H](C)CC[C@H]2C)CC1 1722522570 WZXUXHUVOJJFPD-CEXWTWQISA-N 415.586 1.800 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](COC)C1 1722726389 DOMICGJHXJYRGC-DLBZAZTESA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 1722730092 IJQQMDFGFKRXLM-JXFKEZNVSA-N 424.567 1.606 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@]1(C)CN(C)C1=O 1730829361 DMPIAHWYEHHAGV-MGPUTAFESA-N 404.515 1.610 30 10 HDEE C#CCN(CC)c1nnc(CC2CC2)n1Cc1ccccc1S(=O)(=O)N(C)C 1740673278 NSPRDSCYGULXSN-UHFFFAOYSA-N 401.536 1.989 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](C(N)=O)C1 1740759272 HQCGMCIPFKEHGS-HBFSDRIKSA-N 410.522 1.947 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1740876274 PVPFSCSEKXEPFR-GJZGRUSLSA-N 416.569 1.160 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1CCCN1CCN(CC)CC1 1740904132 YRVYDNOGUVTIIA-UHFFFAOYSA-N 400.575 1.790 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1740954771 GKEXVFALDKPMQK-ROUUACIJSA-N 419.489 1.366 30 10 HDEE C#CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1nncn1C 1748717485 AWHCXUXFDVVRRY-HZPDHXFCSA-N 417.539 1.454 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C(C)C)N1CCCC1 1748826471 UHGFKFFVEVCVCH-MSOLQXFVSA-N 420.583 1.082 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC(C)(C)COCC)CC1 1748977793 DDHJJDHNMCNJOR-JOCHJYFZSA-N 419.570 1.748 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCc2cnn(C)n2)CC1 1748986872 KIZIDGLSTYTAHS-UHFFFAOYSA-N 405.510 1.165 30 10 HDEE C=C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccnc2OC)CC1 1749286376 JKJOOVHXRJDIHR-AWEZNQCLSA-N 406.512 1.497 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCNC(=O)C(C)C 1749485394 SZINNAARISEZIP-UHFFFAOYSA-N 423.521 1.977 30 10 HDEE C=CCN(CCOC)c1nnc(C2CC2)n1C[C@H]1CCC[C@@H]1N1CCCS1(=O)=O 1749598453 YPTNXAYNNCCBMF-MSOLQXFVSA-N 423.583 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1749666575 MWPDADVWGXBLOB-MRXNPFEDSA-N 424.465 1.220 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1749723613 AUTZBLZLMWFLHN-UHFFFAOYSA-N 407.471 1.180 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1nccs1 1749731314 BEFRSWUWVMFSIW-CQSZACIVSA-N 411.553 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1 1749732058 OJTGCWGFSZWXQT-ZDUSSCGKSA-N 421.489 1.829 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1750991990 DSDZLCHMJYQPOY-KRWDZBQOSA-N 407.478 1.152 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1760162306 QKIHHUKQHHTSSC-DLBZAZTESA-N 410.540 1.225 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccc(F)cc1 1760163414 VEIBPMXWHITQRP-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCn2ccnc2C1 1760173140 KSUQRMFOEHATKD-INIZCTEOSA-N 424.530 1.877 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2snnc2C)n1 1760252564 POVXVIVJBHAMBV-UHFFFAOYSA-N 400.512 1.531 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCSCC(C)C)CC1 1760260271 OCANYSOAHWWBKT-KRWDZBQOSA-N 404.584 1.764 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2Cc2c(C)nn(C)c2C)CC1 1760263047 LUJDSJJMIMLZMK-UHFFFAOYSA-N 424.578 1.788 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCC(=O)NC1CC1 1760336640 FDONUFSMGGVNGQ-HNNXBMFYSA-N 409.556 1.641 30 10 HDEE C=C(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(C(=O)NCCCOC)CC1 1760345263 PWPRUHMFIOGPFB-INIZCTEOSA-N 404.515 1.174 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760459988 NGLPXGFLNMGKCJ-IBGZPJMESA-N 422.507 1.134 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1761360975 YGHBUMDNKQJVQJ-CHWSQXEVSA-N 406.450 1.611 30 10 HDEE CCCN1CCC[C@H]1Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1764479233 FWPVWGKDWXOUMZ-FGTMMUONSA-N 406.531 1.605 30 10 HDEE CCOCc1nnc(N(C)CC2CC(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1766240331 GQCOZHCHNFKDLC-ISLYRVAYSA-N 406.462 1.525 30 10 HDEE CCOC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1767284084 RGDMLIWMYZUWHF-OAHLLOKOSA-N 414.466 1.964 30 10 HDEE CCOCc1nnc(N2CCN(c3c(C#N)c(C)nn3C)CC2)n1CCCOC 1767931006 KNYOOERUPXGZQT-UHFFFAOYSA-N 402.503 1.091 30 10 HDEE N#C[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2CCOCCCO)CCO1 1770751770 MUSLPJJDXRDGJV-QGZVFWFLSA-N 421.885 1.638 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCCS(C)(=O)=O 1771201337 YKDZWHGCRBECFJ-QAPCUYQASA-N 413.544 1.567 30 10 HDEE Cc1c(C(=O)NCCCN2CCOCC2)oc2c1C(=NNC(N)=S)CC(C)(C)C2 1772729518 RZKVSPWBPAGBKT-UHFFFAOYSA-N 421.567 1.550 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)c3)CC2)c1 1848716064 VFJOMERFPGBWGU-UHFFFAOYSA-N 412.515 1.802 30 10 HDEE Cc1c(C#N)c(O)nc(=O)n1CC(=O)OC[C@H]1CN(C)CC[C@@H]1c1ccc(F)cc1 1851959780 YAHOXGJZUUHSMJ-NVXWUHKLSA-N 414.437 1.547 30 10 HDEE C=CCN1C[C@H](C(=O)N=c2[nH][nH]c3nc(C4CC4)c(Br)cc23)CC1=O 1852441438 ZKWYBXFVSNKANT-SNVBAGLBSA-N 404.268 1.993 30 10 HDEE Cn1nncc1C(=O)N1C[C@@H](CN2CCC(C#N)(c3ccccc3)CC2)CCC1=O 1853813950 MVVUNKYODIDZTQ-QGZVFWFLSA-N 406.490 1.751 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N(C)CCc3c(C)nn(C)c3C)C2=O)CC1=O 1854861672 XACWKJUMIQPPBN-MJGOQNOKSA-N 415.538 1.063 30 10 HDEE CN(C[C@@H]1CC(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)C1)C1CN(c2nccnc2C#N)C1 1856261574 BLYOLHCBZFGWJT-UONOGXRCSA-N 418.448 1.279 30 10 HDEE C[C@@H](C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O)c1ccccc1 1856652882 HQHVNXASMXWNLD-RHSMWYFYSA-N 405.476 1.703 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(Cc3nnc(C4CCOCC4)o3)CC2)CC1=O 1856781384 ALBIWJNBOUTTKT-INIZCTEOSA-N 401.467 1.464 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)COCc3ccccc3)C2)CC1 1857067243 XJSZSNVPJBMKAK-GOSISDBHSA-N 419.503 1.144 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(CC(=O)C4CC4)CC3)CC2=O)cc1 1857216362 HLXSBOMSZPFFAH-LJQANCHMSA-N 408.502 1.073 30 10 HDEE N#Cc1cccc(C(=O)N[C@@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)C(F)(F)F)C2)c1 1858311985 GSFNOWZEERNREL-CABCVRRESA-N 408.380 1.442 30 10 HDEE Cc1nnc(N2CCN(CC(=O)[C@H](C#N)c3nc4ccccc4s3)CC2)nc1O 1859428152 MTDIFLIUPZJWHL-ZDUSSCGKSA-N 409.475 1.494 30 10 HDEE CCN(CC)C(=O)COc1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1 1860498393 UDXMPCFUEFQLHD-PXLXIMEGSA-N 421.567 1.064 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCc3nc[nH]c3[C@@H]2c2cc(OC)ccc2OC)CC1=O 1872981549 IHNOJVVSSNDBNN-QKKBWIMNSA-N 410.474 1.936 30 10 HDEE C=CCNC(=O)c1nc(C(=O)N2CC[C@@H](S(=O)(=O)c3ccccc3)C2)cs1 1889875431 LOYKUFMIGPJVOW-CQSZACIVSA-N 405.501 1.747 30 10 HDEE CN(CC1CCN(C(=O)c2cn(C[C@@H]3CCOC3)nn2)CC1)c1ncccc1C#N 1891073636 MDLAHBUQIBGYBV-KRWDZBQOSA-N 409.494 1.570 30 10 HDEE C=C(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)OC)B1OC(C)(C)C(C)(C)O1 1991971658 UXCURHHIHJGESP-ZDUSSCGKSA-N 412.292 1.747 30 10 HDEE C#CCOCCNS(=O)(=O)c1c(Br)cc(N)cc1Br 2133345439 PSUJUGZLIVQEJP-UHFFFAOYSA-N 412.103 1.722 30 10 HDEE CC(C)(C)OC(=O)NCCN(CC(F)F)S(=O)(=O)c1ccc(C#N)cc1N 2162929850 GVKXGFRWTMBIRN-UHFFFAOYSA-N 404.439 1.921 30 10 HDEE CC1(CS(C)(=O)=O)CN(c2ncc(B3OC(C)(C)C(C)(C)O3)cc2Cl)C1 2173178351 HFXFIZYJADQWHT-UHFFFAOYSA-N 400.737 1.905 30 10 HDEE CC(C)(C)OC(=O)N1CC(CCCNS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782050 MBEYZRIKSRKKBK-UHFFFAOYSA-N 401.529 1.873 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(CC(C(=O)N[C@H](C(=O)O)C(C)(C)S)=NO2)C1 2195308397 ZRJQARDQWPDAFP-DIFFPNOSSA-N 401.485 1.420 30 10 HDEE NCC#Cc1nc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)ccc1Cl 2224150840 KZLAZFOMFLXRGE-UHFFFAOYSA-N 418.862 1.083 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1[C@@H](F)[C@@](O)(C(=O)C1=CCS(=O)(=O)CC1)C2 2232542787 NWZWRWQXMKJGJI-UYAYXHRUSA-N 403.472 1.541 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@@H]1N(C)Cc1cscc1B1OC(C)(C)C(C)(C)O1 2235499455 GGEIBUTZQOBQFL-GJZGRUSLSA-N 401.359 1.291 30 10 HDEE C[C@@H](CNC(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243389899 YQUYTGLVQZSBMI-LBPRGKRZSA-N 408.308 1.362 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1 2243395241 SZRZJMSSGJQSPN-LSDHHAIUSA-N 408.304 1.810 30 10 HDEE CN(C[C@H]1CN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)CCO1)C(=O)OC(C)(C)C 2243395438 WTAXDSJUKNDJNL-HNNXBMFYSA-N 408.304 1.716 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H]1NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2243406023 QTGMBONQLIMORF-OCCSQVGLSA-N 405.304 1.957 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NC(=O)C#CB1OC(C)(C)C(C)(C)O1 2243430253 ONFCYLFPZMCTTQ-DRPJVOAASA-N 406.288 1.418 30 10 HDEE CN(C(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2247779211 PLYMGCMNFYAHBO-UHFFFAOYSA-N 420.319 1.411 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247805830 PWNFRVOOCNYZFR-ZDUSSCGKSA-N 420.319 1.790 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2247838593 KKLPCRSJWLYEHT-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2247910529 MNXGUPKGPRIEPH-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2255873280 CRZIOAHRNCUSAA-UHFFFAOYSA-N 424.310 1.506 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCn2cc(Cl)cn2)OC1(C)C 2282497778 UURKEJIYOAOLOL-UHFFFAOYSA-N 417.749 1.876 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC2CCC(O)CC2)OC1(C)C 2282500481 KYLFTAHYWHSLIP-UHFFFAOYSA-N 401.359 1.770 30 10 HDEE Cc1nc(C(=O)N2CCS(=O)(=O)C[C@@H]2C)c(B2OC(C)(C)C(C)(C)O2)s1 2282520698 UDYUPSXJAYTVLS-JTQLQIEISA-N 400.331 1.010 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1c(C)nsc1B1OC(C)(C)C(C)(C)O1 2282589022 YCPIWNZUJAWKRB-NSHDSACASA-N 402.347 1.304 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCO[C@@H](CN)C3)sc2Cl)OC1(C)C 2282619345 YLMHDBPFOGSHPC-WDEREUQCSA-N 400.737 1.937 30 10 HDEE CCN(CCS(C)(=O)=O)C(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2282663338 NXZQAHPTVZHWSY-UHFFFAOYSA-N 401.359 1.862 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@H]([C@H](C)O)C1 2282830960 CIPXEYIMYGIVKN-WCQYABFASA-N 401.359 1.747 30 10 HDEE COC[C@H]1C[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282835358 SRLZDLQIKMQXBJ-BXUZGUMPSA-N 401.721 1.952 30 10 HDEE CCC(N)(CC)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282837276 SVEHKTHPIUMZHQ-UHFFFAOYSA-N 403.379 1.379 30 10 HDEE C[C@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)c1csnn1 2282837531 FNLIEAPJRNHYKC-VIFPVBQESA-N 416.359 1.474 30 10 HDEE CC(C)(O)[C@@H]1CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282841507 VMWWRBYPZWCSMK-LBPRGKRZSA-N 402.347 1.117 30 10 HDEE COC12CC(C1)N(S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C2 2282842779 CWATVVQQMUYFCH-UHFFFAOYSA-N 400.331 1.135 30 10 HDEE CCSC[C@H](NC(=O)c1nc(C)sc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284374143 SGFGZDAMEMGAGL-JTQLQIEISA-N 400.331 1.687 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@]1(C)C(=O)O 2284400375 ABWTVEPHXXQQRT-MRXNPFEDSA-N 401.315 1.593 30 10 HDEE CC1(C)OB(c2cnc(O[C@H]3CCN(S(C)(=O)=O)C3)c(Cl)c2)OC1(C)C 2285599349 ICHXZUJXQXETPT-LBPRGKRZSA-N 402.709 1.447 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)O[C@H]2C1 2289384684 GZLMHKVDDVUHED-QNWHQSFQSA-N 402.513 1.679 30 10 HDEE O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccccn2)C1=C(O)c1ccc(F)cc1 2296553749 QMSVAIGRYCDVIZ-LJQANCHMSA-N 411.433 1.975 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CS(C)(=O)=O)C(=O)Nc1nc(Cl)ccc1C#N 2335516029 WQLIPBJPSMBCRO-SNVBAGLBSA-N 402.860 1.483 30 10 HDEE CCN[C@H](C#CC1(SC)CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336220459 QKMRDAPEOGHSDT-CABCVRRESA-N 402.582 1.898 30 10 HDEE CC1(C)OB(c2cc(Cl)sc2CNC(=O)[C@@H]2CCS2(=O)=O)OC1(C)C 2343821117 NJNJLODRYTYTPB-NSHDSACASA-N 405.734 1.504 30 10 HDEE C=C[C@@]1(CO)COCCN1[C@]1(C(=O)O)CCCN(C(=O)OCc2ccccc2)C1 2346455295 AQQYXWDDVGOLFB-NHCUHLMSSA-N 404.463 1.492 30 10 HDEE CCCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCCN1C(=O)OC(C)(C)C 2365201982 LPXXMAHEQOHKPL-HOTGVXAUSA-N 402.557 1.817 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1CCC[C@H](CNC(=O)OC(C)(C)C)O1 2365213200 VUEJQNONYZIYMZ-OAGGEKHMSA-N 402.557 1.863 30 10 HDEE C[C@H](C[C@@H](C#CC(C)(C)S(C)(=O)=O)OCCC(=O)O)NC(=O)OC(C)(C)C 2365248724 QESVTBXEUSHABE-ZIAGYGMSSA-N 405.513 1.976 30 10 HDEE CC(C)N1CC(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2367669622 XAEPMZRGNQLRSI-UHFFFAOYSA-N 400.375 1.666 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@@H](OC)CCN1C(=O)OC(C)(C)C 2367800326 IUHPDTLCBXKCGB-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)CN(C(=O)OC(C)(C)C)[C@@H]1C 2367809012 JBTREPGDHKKQAD-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE C=CCNC(=O)Cn1c(CO)cnc1SCC(=O)N1CCCc2ccccc21 10063357 ZFXPDXDIHODSMF-UHFFFAOYSA-N 400.504 1.749 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 30115546 NYKUCJAZALBXQV-QGZVFWFLSA-N 413.499 2.000 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(OCC)c(OC)cc2[N+](=O)[O-])CC1 32826590 AQUJLHUAWIDALE-UHFFFAOYSA-N 406.439 1.062 30 10 HDEE CCNC(=O)NC(=O)[C@@H](C)Oc1c(N)cc(C#N)cc1I 43415320 FTNGCWCBISZTIN-SSDOTTSWSA-N 402.192 1.358 30 10 HDEE Cc1ccccc1C(=O)/C(=C(/S)NCCN1CCOCC1)[n+]1cccc(O)c1 55011513 YFGCSOMBPIHBET-UHFFFAOYSA-O 400.524 1.849 30 10 HDEE C=CCn1c(C)c(CC(=O)NC[C@H]2CCCO2)c(=O)n2nc(-c3ccccc3)nc12 64813581 KERBKSWADQBUEF-QGZVFWFLSA-N 407.474 1.890 30 10 HDEE Cc1ccc(S(=O)(=O)n2cnc(C[C@H](NOC(=O)C(C)(C)C)C(=O)O)c2)cc1 71257056 MZELNZBDOLPXGZ-HNNXBMFYSA-N 409.464 1.518 30 10 HDEE C[C@@H](/C(N)=N/O)N1CCN(C(=O)c2ccc(I)cc2)CC1 109460118 CZMZTIVCZFEIGR-JTQLQIEISA-N 402.236 1.184 30 10 HDEE CCOC(=O)c1cccc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c1 109841438 RHPRLDISKRYWKC-UHFFFAOYSA-N 400.460 1.641 30 10 HDEE Cn1c(=O)nc(O)c2c1nc(NN=Cc1cccnc1)n2C[C@H](O)c1ccccc1 254525176 ULWGMJCCHRQVAQ-HNNXBMFYSA-N 405.418 1.410 30 10 HDEE N#Cc1cc(S(N)(=O)=O)ccc1N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 301347158 KXHHOSZTSVRLEK-UHFFFAOYSA-N 406.414 1.446 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2C[C@H]3CCCC[C@H]3C2)CC1 426830566 ZBKFSCLCDICYHD-KDURUIRLSA-N 416.547 1.513 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N 441226452 FRXSEDXKPIUJSA-AHMITGRASA-N 403.435 1.520 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@]2(C#N)CCOC2)cc1Br 444065721 NWFGECBUJSSRHW-CQSZACIVSA-N 402.270 1.711 30 10 HDEE CN(CC(=O)NCc1cnn(-c2ccccc2)c1)S(=O)(=O)c1cccc(C#N)c1 447698067 JGRUSWPJIWZMIK-UHFFFAOYSA-N 409.471 1.681 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)NCCN3CCN(C(=O)C4CCC4)CC3)C2)cc1 461932396 BVXIEBBDLSXZKZ-UHFFFAOYSA-N 411.506 1.275 30 10 HDEE CCOC(=O)C[C@@H]1C[C@H](OC)CN1C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 482249409 OTTNEBMGXHJRTC-IRXDYDNUSA-N 413.478 1.720 30 10 HDEE CN(CC(=O)N1CCOCC1)C(=O)CSc1nc(C(F)(F)F)ccc1C#N 488801338 PTWCNQJQHHKCHW-UHFFFAOYSA-N 402.398 1.381 30 10 HDEE CN(C)[C@@H]1CCC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1 489759341 IJXUQDVJCNEGCO-ZWKOTPCHSA-N 419.551 1.447 30 10 HDEE CCn1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc3nc(C)sc3c2)c1=O 491770746 ZFXHQUMYPCGUNF-UHFFFAOYSA-N 412.540 1.876 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)NC[C@H](CO)c3ccccc3)n2)cc1 494281627 GMUAOQCUNOMIHN-GOSISDBHSA-N 404.430 1.029 30 10 HDEE CS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 501888052 GGMQOHYJYHNYPX-KRWDZBQOSA-N 419.528 1.661 30 10 HDEE C=CCn1c(N2CCO[C@H](CNC(C)=O)C2)nnc1C(F)(F)Oc1ccccc1 508998682 NVGUQQVWBLKQIY-MRXNPFEDSA-N 407.421 1.934 30 10 HDEE CN(C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1)[C@H]1CCN(C2CC2)C1 517647852 RAOUZEPYOPFDCD-IBGZPJMESA-N 416.547 1.654 30 10 HDEE C[C@@]1(c2ccc(CNS(=O)(=O)c3ccc(Cl)c(C#N)c3)cc2)NC(=O)NC1=O 522354493 VCJHUTOISGOUGQ-SFHVURJKSA-N 418.862 1.745 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2Cc3ccccc3C2)CC1 545160985 IRPQVOYGSPHYOY-UHFFFAOYSA-N 410.499 1.742 30 10 HDEE Cc1ccc([C@@H](CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)N2CCOCC2)o1 546929189 KRBSYMAVQSHNDV-LJQANCHMSA-N 424.505 1.760 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)CCCCOc2cccc(C#N)c2)C1 553720607 MWDUWUNWTFPBIV-QGZVFWFLSA-N 408.524 1.494 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)[C@@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 561223698 DOHHEZJOBTWXCR-MRXNPFEDSA-N 402.470 1.619 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](CC)C(=O)OCC)nc1C 586304319 OMHBDXQWEXGKIO-LJZMDLFKSA-N 402.494 1.823 30 10 HDEE Cc1ccccc1C=c1sc(=C(C#N)C(=O)NC2CC2)n(C[C@@H]2CCCO2)c1=O 603799747 SQVQXAPUEKMRFG-KRWDZBQOSA-N 409.511 1.179 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccccc1C 603800120 VCKXMNYTRVWOJX-UHFFFAOYSA-N 402.479 1.408 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1 611080542 KHKBGLCXXZDQRC-UHFFFAOYSA-N 401.448 1.457 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCOC(C)(C)C 669808668 LJWAHVLTRRVEON-CQSZACIVSA-N 401.533 1.048 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1 680517761 VBKSYVZQGVSPER-UHFFFAOYSA-N 423.517 1.183 30 10 HDEE C#CCN(C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C)[C@H]1CCS(=O)(=O)C1 729334831 WHDXXXQUGSJZGR-HNNXBMFYSA-N 418.519 1.175 30 10 HDEE COCCN(CC(=O)NS(=O)(=O)Cc1ccc(C#N)cc1)C(=O)OC(C)(C)C 734080399 OVQWMLUTWAYYPM-UHFFFAOYSA-N 411.480 1.388 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C(F)(F)F)c1 735079713 CEVKLORAUOVAAT-CCEZHUSRSA-N 414.365 1.382 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2sc(C)nc2C)c1=O 736586582 ZZRIVHXBECEOBC-UHFFFAOYSA-N 417.556 1.892 30 10 HDEE N#Cc1cc(COC(=O)[C@H]2CN(Cc3nc(O)c4ccccc4n3)CCO2)ccn1 747082114 MBPNSOFJGAXUBX-GOSISDBHSA-N 405.414 1.546 30 10 HDEE COc1ccc(CNC(=O)N2CCN([C@@H](C(N)=O)c3ccccc3)CC2)cc1C#N 747389591 HWQNJLXVOTWZRE-HXUWFJFHSA-N 407.474 1.621 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(=O)C(C)(C)C)cc2)CC1 749167814 RUHUEQHBTSCUSN-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)cc1 749877418 IOTQEPVXQZWEDS-AWEZNQCLSA-N 409.508 1.631 30 10 HDEE C#CCN(CC#C)C(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 752153759 CUKWZXIMFDSYSC-UHFFFAOYSA-N 414.531 1.631 30 10 HDEE CC[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)[C@H](O)c1c(F)cccc1F 752964558 HOXOJUVFCOISCB-AECJAFODSA-N 408.405 1.602 30 10 HDEE N#Cc1c(N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)cccc1S(N)(=O)=O 755020546 SMABYBBGKHNRJS-OAHLLOKOSA-N 420.516 1.616 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)Nc2ccc3c(c2)OCC(=O)N3)C1 756112670 DPAKDWCFEAWVSL-SMDDNHRTSA-N 401.423 1.898 30 10 HDEE COc1ccc(N2CCN(CCNS(=O)(=O)CC3(C#N)CCCC3)CC2)cc1 759027374 SLTGXCAOYODCOB-UHFFFAOYSA-N 406.552 1.821 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ncc(Br)cc1Br 759206590 YLVVHLFSGFMSSK-UHFFFAOYSA-N 412.103 1.937 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CCC(=O)N(c3ccc(C)c(C)c3)C2)CC1 760510497 UPOGXYQCUFTGKP-FQEVSTJZSA-N 424.545 1.330 30 10 HDEE N#Cc1cccc([C@H]2CN(C(=O)C(=O)Nc3ccc(N4CCOCC4)cc3)CCO2)c1 762007197 SKBVWLDWNAHKIF-OAQYLSRUSA-N 420.469 1.933 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccn(C)c2)c1=O 763438129 SXQMCSZOYNKBBO-UHFFFAOYSA-N 406.511 1.574 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 771258935 LLKILBRLVXFHMU-CQSZACIVSA-N 419.409 1.836 30 10 HDEE C#CCN(C(=O)NCc1ccc(C)cc1OC[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 774252135 RODQAQMHKNNTFS-RBUKOAKNSA-N 420.531 1.885 30 10 HDEE C#CCN(C(=O)N[C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1)[C@H]1CCS(=O)(=O)C1 776530082 FCZIWROIWLOHFL-WZGPROSRSA-N 406.504 1.443 30 10 HDEE COc1cc(OC)c(CNC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(OC)c1 780203509 CDRRWKZLOPICHF-FQEVSTJZSA-N 414.414 1.477 30 10 HDEE COc1ccccc1CC(=O)N1CCC(NC(=O)[C@H](O)c2ccc(C#N)cc2)CC1 780916470 IHGDBQQUEFGTEL-JOCHJYFZSA-N 407.470 1.950 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)OC)ccc1F 787355364 VDQCMLUSENJRDI-GRDNDAEWSA-N 410.467 1.704 30 10 HDEE CC(C)(C)OC(=O)N1CCN(CCC(=O)NCCOc2ccc(C#N)cc2)CC1 792200272 MTSBWDKDRLLVJB-UHFFFAOYSA-N 402.495 1.996 30 10 HDEE C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N3CCCC3=O)cc2)C1=O 803594616 QBEYDIRHFOCECF-CRAIPNDOSA-N 412.490 1.236 30 10 HDEE CN1C(=C2C(=N)N(Cc3ccc(S(N)(=O)=O)cc3)CC2=O)N(C)c2ccccc21 914596525 RAXUHUBMLDSVED-UHFFFAOYSA-N 411.487 1.494 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)CCn1cnc2sccc2c1=O 916775724 YUUSFYWHGOLNKE-UHFFFAOYSA-N 402.457 1.366 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)c2ccco2)n1)[C@@H]1CCS(=O)(=O)C1 918756653 VZLDAIWNUDQMRP-CYBMUJFWSA-N 407.473 1.180 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(C)(C)S(C)(=O)=O 1119009088 ZEUNJDKZXSTSJG-CYBMUJFWSA-N 404.558 1.016 30 10 HDEE COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C(=O)[C@]1(C#N)CCCOC1)C2 1133531354 HXEPZOVQDYVHEC-UGCQDJOBSA-N 421.494 1.612 30 10 HDEE C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1cccc(OCc2cccc(C#N)c2)c1 1136241842 GTFZWIXSPVDWCZ-AWEZNQCLSA-N 405.418 1.267 30 10 HDEE COc1ccc(CN(C(=O)c2cccc(C#CCO)c2)[C@@H]2CCS(=O)(=O)C2)cc1 1136668449 QLKMJBWNVGBBLO-HXUWFJFHSA-N 413.495 1.869 30 10 HDEE CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1nc(O)c(C#N)cc1C 1136902293 VHBIFARTBMVHTG-UHFFFAOYSA-N 404.448 1.869 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 1138748105 RLCFPBDHLRXXTC-RRFJBIMHSA-N 416.544 1.408 30 10 HDEE N#Cc1cccc(C2(NC(=O)COc3ccc(S(N)(=O)=O)cc3)CCOCC2)c1 1147809134 HGAAJTDCGFLRRP-UHFFFAOYSA-N 415.471 1.407 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](n2cccn2)C(F)(F)F)c1 1148831083 XLKGMFSIXOVVMV-AWEZNQCLSA-N 400.382 1.328 30 10 HDEE C#CCN(C(=O)C[C@@]1(C)CCS(=O)(=O)N1)C1CCN(C(=O)OC(C)(C)C)CC1 1155366868 IFENHTAKOSOTMH-LJQANCHMSA-N 413.540 1.320 30 10 HDEE CC(C)OCCOC1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 1161600875 YYEWQKNQIBINPL-UHFFFAOYSA-N 423.535 1.925 30 10 HDEE COC(=O)[C@@](C)(CCF)NCC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1171955087 XJSIWHGZZDMCMC-FXAWDEMLSA-N 408.449 1.415 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccncc1Br 1177023248 HOPPUSWNMKRXSG-NSHDSACASA-N 423.292 1.871 30 10 HDEE CC(C)(C)OC(=O)NCCN1CCC[C@@H](C(=O)NCC#C[C@H]2CCCCO2)C1=O 1180363343 UDQZFKDVXZAOCK-SJORKVTESA-N 407.511 1.438 30 10 HDEE CCN(CCC(=O)NC)CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2 1198362389 BAJPFWQQEXBUQC-INIZCTEOSA-N 415.538 1.814 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCC[C@@H](c2ncc(C(=O)OC)s2)C1 1224764562 WNBUPQCCLFVXOP-GFCCVEGCSA-N 401.510 1.420 30 10 HDEE C#C[C@H](NC(=O)N1CCn2ncc(I)c2C1)[C@H]1CCCO1 1234637524 YYRIQTPXUDRDCX-WCQYABFASA-N 400.220 1.194 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2c(CC)ccc3ccccc23)CC1 1248561905 ARZVDYICQFVQHB-UHFFFAOYSA-N 414.531 1.697 30 10 HDEE N#Cc1cn(C2CN(C(=O)NCCOc3ccc(Cl)c(Cl)c3)C2)c(=O)nc1O 1251498950 PAAYIRFULPYFGE-UHFFFAOYSA-N 424.244 1.773 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3C[C@H](C(=O)OC)CC[C@H]3C(=O)OC)cc2C1=O 1279587492 HKVYEWNCMXNULD-CJNGLKHVSA-N 414.414 1.035 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1286268905 BQUURMAVWXVUJI-WJPUGNRLSA-N 403.527 1.993 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286345395 ZREQJELNVWTKOK-UHFFFAOYSA-N 416.489 1.574 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 1286348838 ALWSEWRYLGPXOU-JLTOFOAXSA-N 400.483 1.010 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCCO[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1286384278 HEMRPMXMTXQEAF-KURKYZTESA-N 424.567 1.614 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2CCCN2CCCC2)CC1 1286490562 XZZOYSXMZVOYIT-UHFFFAOYSA-N 421.549 1.792 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC(OCCN2CCCC2)CC1 1286818309 VRYALVSMKAKLNA-UHFFFAOYSA-N 411.572 1.269 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)C2)C1 1292415624 DNWMAGHUFSNGRK-CQITXIIBSA-N 416.478 1.179 30 10 HDEE CCc1nc(CN2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)no1 1292976878 GSGRNGCBKUNYOI-OAHLLOKOSA-N 420.514 1.863 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H](COC)C1 1294846435 CABPHNLVHMIKCJ-SFHVURJKSA-N 412.494 1.585 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](OCCOC)C1 1295067579 WCKWBPGQFYBHGW-GOSISDBHSA-N 412.494 1.537 30 10 HDEE CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](C#N)CO)c1 1297879568 BQRQSFRBKDNKAC-LBPRGKRZSA-N 411.842 1.918 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCNC(=O)c1cc[nH]n1 1300314590 GVPYXILDTLSIBK-HNNXBMFYSA-N 417.477 1.128 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2F)n1Cc1nnnn1CC1CC1 1300324412 DTUUTAJKCUXFTO-CQSZACIVSA-N 410.457 1.899 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300522500 GMLMDHYLUCOATR-SFHVURJKSA-N 422.514 1.171 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)Cc1cccc(F)c1 1300530131 ZLUSSBSSRXPGEQ-UHFFFAOYSA-N 419.464 1.249 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1([S@](C)=O)CC1 1300559279 NFONIOOELOXNRK-PBBNMVCDSA-N 418.563 1.693 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1300601969 MYQBQUQMVIYXFP-ZDUSSCGKSA-N 411.478 1.869 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@H](C)N1CCCCC1 1300602440 RFLFTIFUQVXBBR-DLBZAZTESA-N 410.588 1.612 30 10 HDEE C#CCN(CC)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CCC(=O)NC 1300635163 FVEYPXNWDZGYJB-UHFFFAOYSA-N 423.565 1.238 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCCOC2)CC1 1300719895 URROSAAOKCSPKH-QGZVFWFLSA-N 410.522 1.676 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1300949388 VYXVJOICUDBTOR-GOSISDBHSA-N 402.543 1.840 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1300973398 VXCPFXLFZYGIJM-KRWDZBQOSA-N 411.572 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(C)nc3ccccc23)nnc1N1CCS(=O)CC1 1301483483 PPBAZIOJAAXQNH-UHFFFAOYSA-N 424.530 1.673 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H]2CCC[C@H]21 1301585022 GXZBIWFRRILBPR-HRCADAONSA-N 407.540 1.599 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CCC[C@@H](CNC(C)=O)C1 1301587497 PTUZUALNFRUNHC-KRWDZBQOSA-N 411.572 1.430 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)OC 1304089870 PCAOIJQUPYIZKZ-QWHCGFSZSA-N 400.863 1.646 30 10 HDEE Cc1cccc(OCCn2c(C(=O)N3CCCC3)nnc2N2CCO[C@@H](C#N)C2)c1 1304514642 FSXBUDYJHZQAGV-SFHVURJKSA-N 410.478 1.630 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@H]2C[C@@H](N(C)C)CC[C@H]2C1 1305367552 FITMNRHSQZNXAN-OWLYRPNTSA-N 404.536 1.414 30 10 HDEE Cn1c(N[C@@H]2Cc3ccccc3N(C(=O)OC(C)(C)C)C2)c(C#N)c(=O)n(C)c1=O 1307157403 PNYZWUBBPRVKEL-CQSZACIVSA-N 411.462 1.734 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)cc1 1310130489 DJFIGDYIOKJGBR-RRFJBIMHSA-N 408.524 1.965 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(C(=O)NCC3(C#N)CCC3)C2)C(=O)C1 1312882899 DBQGIILADJKUAO-MRXNPFEDSA-N 419.526 1.934 30 10 HDEE CCOc1cc(Cn2c(-c3cnccn3)nnc2N2CCO[C@H](C#N)C2)ccc1OC 1314162646 BTIGRRFELIIRAU-MRXNPFEDSA-N 421.461 1.919 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1314471153 ZJHMDUMDHBYYDV-OAQYLSRUSA-N 412.494 1.680 30 10 HDEE C=CCO[C@@H]1CCN([C@H](C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)C1 1323728920 MZXUXOZVMPNMNQ-RTBURBONSA-N 421.563 1.493 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccccc1COCC)[C@@H]1CCS(=O)(=O)C1 1358957505 VKUMYUNJBKPCCR-LJQANCHMSA-N 402.520 1.798 30 10 HDEE C#CCN(CC)c1nnc(-c2c[nH]c3ccccc23)n1CCC[C@@H]1NC(=O)NC1=O 1359006618 BYJUBAFGEVSOHK-KRWDZBQOSA-N 405.462 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCS(=O)(=O)CC)CC1 1359040725 FEJANFPFSIBEFJ-OAHLLOKOSA-N 409.556 1.192 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CCOC)CC1 1359203602 RRPAJCCTURWTAK-QGZVFWFLSA-N 411.572 1.305 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@@](C)(CC)C1 1359292036 GUAGKSGRBYOLGF-FQEVSTJZSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@H](COc2ccccc2)C1 1359297948 HPRCNTGGBDXKSZ-KRWDZBQOSA-N 421.505 1.886 30 10 HDEE CN(C[C@@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1)C(=O)OC(C)(C)C 1442113864 BCNCHTNGGNCZKC-AWEZNQCLSA-N 419.482 1.316 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@](C)(C(N)=O)c2ccccc2)s1 1445652500 DXBBOWJQVRLXEW-SFHVURJKSA-N 407.517 1.272 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C 1446636733 VSPIFTKJMUOJSZ-KUHUBIRLSA-N 418.556 1.802 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 1452497531 JNDZVWOSIFSXBE-IBGZPJMESA-N 412.515 1.916 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc2n(n1)CCC[C@H]2NC(=O)OC(C)(C)C 1454934585 FGJPLIDEZPHJFC-CYBMUJFWSA-N 405.455 1.772 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCC1(OCCO)CCC(C(F)F)CC1 1456517685 XMCZGCHGRLFGPH-FBMGVBCBSA-N 415.437 1.222 30 10 HDEE C[C@H](NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](C)N1CCOCC1 1464974572 QZVKUBLXVJKLBP-MXIOHGBHSA-N 420.554 1.999 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)nn1 1466321515 DMPDXMZJNNEPHN-UHFFFAOYSA-N 424.509 1.967 30 10 HDEE C#CCN(C(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)C1CCN(C)CC1 1467874961 BODMPDVXYKQIGH-UHFFFAOYSA-N 416.522 1.449 30 10 HDEE O=C(NC[C@H](O)C(F)(F)C(F)(F)F)[C@@H](O)[C@@](O)(c1ccccc1)C(F)(F)F 1471524714 CGMVTUIWAWBRKC-NGZCFLSTSA-N 411.245 1.472 30 10 HDEE Cc1nc(CS(C)(=O)=O)sc1CC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1471718147 OJQVCXUAMONKGI-UHFFFAOYSA-N 419.532 1.154 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CCC[C@@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1473116045 DVIWRANHPIYJQJ-SJORKVTESA-N 409.527 1.895 30 10 HDEE COC(=O)[C@@H]1CN(CC(=O)Nc2sc3c(c2C#N)CCCCC3)C[C@@H]1C(=O)OC 1473879220 KKDNTJFJKCQRRL-GASCZTMLSA-N 419.503 1.721 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C2=O)cc1 1478568232 NXGVHWUBLZAIOT-SUMNFNSASA-N 416.425 1.269 30 10 HDEE COc1ccc(N2CC[C@@H](NC(=O)N3CCN(c4nccnc4C#N)C[C@@H]3C)C2)cc1 1478957081 LHVVTWCRLSKGNY-DLBZAZTESA-N 421.505 1.856 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCN(C)C1 1504963573 YCHOGMPBEQZABK-JXFKEZNVSA-N 406.531 1.199 30 10 HDEE C[S@](=O)C1(Cn2c(-c3cccc(C#N)c3)nnc2N2CC[C@H](C(N)=O)C2)CCC1 1505151804 GDWWDBUTAXXTIU-OFJJUDJNSA-N 412.519 1.430 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](C)N(C)C)c1 1507550621 NJGLNKMCVYUWMX-FUHWJXTLSA-N 410.522 1.788 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCOc1ncccc1F)[C@H]1CCS(=O)(=O)C1 1507623790 XGFKXXRISVVVGJ-HNNXBMFYSA-N 421.498 1.641 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN1CCC[C@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507631625 FQJHARULBSYCJE-HKUYNNGSSA-N 419.595 1.904 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1507637762 NDPHJPDZEYAVPC-ATIWLJMLSA-N 422.551 1.285 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2ccoc2)CC1 1507740478 MWNSKRHKVCHLGZ-UHFFFAOYSA-N 421.505 1.747 30 10 HDEE C=C(C)COCCn1c(COCC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507849323 XGVHCYVIDRSUOA-HXUWFJFHSA-N 404.515 1.893 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](CN2CCOCC2)C1 1507913912 BBDHNFGFZGQCEI-QZTJIDSGSA-N 416.570 1.990 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)Cc1cc(C)on1 1508139585 HMZOSRLFMUKLFC-UHFFFAOYSA-N 403.468 1.269 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1C[C@@]1(C)CCCS1 1510148007 FKWWUXJZDIWSBR-DVOMOZLQSA-N 400.574 1.912 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCCO1 1516847635 PZOFYSHPULNLQE-QGZVFWFLSA-N 418.523 1.371 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@@H]2CCc3nncn3CC2)c1 1527211297 JVDVFFOVTUNJBA-CGUCZKFASA-N 416.507 1.682 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C(=O)OCC)ccc(Cl)c2OC)C1=O 1529375313 NFYYHTQQXJZQFH-UHFFFAOYSA-N 423.809 1.441 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)NCC[C@@H]1CCCS1(=O)=O 1536612474 DPMPHKYYAYEOBR-NSHDSACASA-N 401.282 1.783 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCN1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1539226011 SGGQYPFBIBLDKE-GOSISDBHSA-N 405.568 1.343 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCN(C)CC(F)(F)F)CC1 1539446823 JVCSNKFAMUWIHR-MRXNPFEDSA-N 414.476 1.421 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCO[C@H]1C(=C)C 1540201220 QSQBHZFMCYCWNI-KURKYZTESA-N 424.567 1.800 30 10 HDEE N#Cc1ccc(NCCNC(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)nc1 1540697557 DFYNMAOCWGYTLC-UHFFFAOYSA-N 413.503 1.654 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1540865331 CFMGKMSJYMMYKS-KGLIPLIRSA-N 400.439 1.083 30 10 HDEE CC1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)CC1 1544520212 AMPOCHMMJWADKI-QFBILLFUSA-N 424.546 1.354 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCNC(=O)OC(C)(C)C 1546490416 WRPHOMIGIHKJNI-UHFFFAOYSA-N 413.482 1.900 30 10 HDEE CCOCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)CC1 1548280978 SVFTYGBPUIENBU-UHFFFAOYSA-N 420.521 1.757 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1554301444 NNCKUJKTHJCRCQ-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccc(C)nc2)CCO1 1554440854 ANPDAPWOSMZVGU-LJQANCHMSA-N 417.473 1.520 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CCC1(O)CCOCC1 1555728724 VPIDSZHXOBGHGP-ULQDDVLXSA-N 407.515 1.530 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1c(Br)nc2n1CCOC2)C(=O)OCC 1557935364 YKTFJLFZRHVMCT-VIFPVBQESA-N 406.664 1.980 30 10 HDEE N#CCC(=O)N1CCN(CC(=O)Nc2cccc(CN3CCSCC3)c2)CC1 1559847419 UMZBCTMHLFSEOV-UHFFFAOYSA-N 401.536 1.232 30 10 HDEE CNC(=O)NC[C@@H]1CCCCN1CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1560068875 HXJXULKZAHWGFB-DLBZAZTESA-N 418.567 1.240 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1 1564790673 FSIGFVLPLVGFCT-KGLIPLIRSA-N 407.471 1.740 30 10 HDEE C#CCSCCNC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1565829999 AYXQMCBQUKROCS-UHFFFAOYSA-N 405.545 1.897 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1583239404 XGANDJKRAYPSCU-MOPGFXCFSA-N 408.520 1.946 30 10 HDEE C#CCCN1CCN(C(=O)c2ccc(NCCN3CCOCC3)c(Cl)c2)CC1 1584027595 BATQWQDKYMYDLE-UHFFFAOYSA-N 404.942 1.865 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1cccc2c1CCN(C)C2=O 1584815824 RTCOWVZRSNKTQZ-ZDUSSCGKSA-N 412.471 1.492 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCOC 1587581288 ZIGDQJKGYTZOTO-HNNXBMFYSA-N 405.524 1.690 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCNS(=O)(=O)CC 1587678460 SMSRTTIWFMBPTR-BZUAXINKSA-N 411.572 1.594 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1588064177 CDSKBYVAQGLGPY-SJLPKXTDSA-N 413.547 1.937 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@H]1NC(=O)CC1(C)C 1588112817 BONPITMSCHGSRS-GOSISDBHSA-N 405.458 1.661 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[C@H]2CCO[C@H](C)C2)CC1 1588733449 SXJBGBAZWMKSGR-MSOLQXFVSA-N 402.543 1.377 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(O)CC(OCC)C2)CC1 1588806660 ZAOPGVWMRLODSB-UHFFFAOYSA-N 410.522 1.334 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN(C)CCOC)CC1 1588811234 DBVYZUQZILEONM-IBGZPJMESA-N 404.559 1.243 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CCC(=O)N1CCOCC1 1589694461 JPVAEIGNPFGKTP-HKUYNNGSSA-N 421.542 1.653 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCS(C)(=O)=O)CC1 1594010198 ZVXXBSLYSZIGPQ-UHFFFAOYSA-N 404.496 1.517 30 10 HDEE C=CCCCn1c(N2CCO[C@H](C(=O)NC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1594775367 SFVVSVKPZBFEAH-OXJNMPFZSA-N 407.515 1.236 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc(CN2CCCC2=O)n1CCC(=O)NC 1595134118 SLSRDSLNQLBYEW-UHFFFAOYSA-N 414.485 1.868 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCC2(C1)OCCO2 1595219460 VAUGGVNLBDVWLP-DLBZAZTESA-N 422.551 1.902 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(C)(C)C)n2CC2(O)CCS(=O)(=O)CC2)C1 1595673612 IJFOUGGYPSYCIM-OAHLLOKOSA-N 412.556 1.297 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(n2c(O)nc3cccnc32)CC1 1595713550 MRLFCILKXYYSJN-HTXNQAPBSA-N 410.434 1.217 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCS[C@@H](C)[C@@H]1C 1595789174 ONQZSKXMRHOCCM-KBPBESRZSA-N 410.569 1.610 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C1 1595791318 ZNTJJLUOISXOKK-INIZCTEOSA-N 409.939 1.952 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CC[C@@](F)(C#N)C1 1595812543 XTVZLMNMSNWYHY-GOSISDBHSA-N 404.471 1.307 30 10 HDEE CC(C)(COc1ncc(Cl)cc1Cl)NC(=O)Cn1cc(C#N)c(O)nc1=O 1596612135 GSJAHGJMBYVGRM-UHFFFAOYSA-N 412.233 1.496 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(CCCOc2ccc(F)cc2)c1=O 1614781274 ROOHTPGZKLTLFW-UHFFFAOYSA-N 403.410 1.832 30 10 HDEE COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCNC(C)=O)C[C@@H]1C)C2=O 1615245089 XFZYXGDNCBMJSO-FVINQWEUSA-N 422.865 1.890 30 10 HDEE C#CCOCCC(=O)N1CCC[C@@H](NC(=O)C(F)(F)F)[C@H]1C(=O)OC(C)(C)C 1616933408 REHADWZXAOPEOY-OCCSQVGLSA-N 406.401 1.406 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1618729808 CZNAUOUKRYFFBR-IAGOWNOFSA-N 416.478 1.051 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCOC2(CCS(=O)(=O)CC2)C1)C(C)C 1628521572 UBBCTYSCAQNRRD-GOSISDBHSA-N 413.584 1.674 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)CC1 1629536822 FKZHLBUTQBGPRW-CYBMUJFWSA-N 418.291 1.601 30 10 HDEE C=C(C)C(C)(C)C(=O)N1CC(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1629997926 IGVWDOQCEJJKBC-UHFFFAOYSA-N 415.556 1.682 30 10 HDEE C=CCc1cc(CNC(=O)N2C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C2)cc(OC)c1OC 1630469179 MYPUQABCVPZFCW-IYBDPMFKSA-N 420.462 1.536 30 10 HDEE CN1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3C)cc2)NC1=O 1630687378 RKENVOALFXPSNU-SSPLZPMDSA-N 407.496 1.242 30 10 HDEE COC1(CO)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1631677088 BMYHESGITYLWIL-NGEICVOHSA-N 407.511 1.773 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2=O)cn1 1633596360 IKAXAJNSBGBZNP-UHFFFAOYSA-N 417.360 1.579 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccncc3NC(=O)C(F)(F)F)CC2)cn1 1633929436 FKOUZBCHDMQFGO-UHFFFAOYSA-N 404.352 1.811 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)[C@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O 1636632224 TVISDFMTZFPSNO-JKSUJKDBSA-N 407.511 1.981 30 10 HDEE C#CC[C@H](NC(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1)C(=O)OC 1637696470 FLRFEUNIZIGJAZ-RISCZKNCSA-N 416.293 1.540 30 10 HDEE COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)C1 1637884784 BGZILGAEEOYHFQ-OALUTQOASA-N 420.535 1.107 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N2CC[C@@H](C)Sc3ccccc32)c(=O)n1CCO 1641368562 LYGXEIWYVKLGES-CYBMUJFWSA-N 414.487 1.100 30 10 HDEE C=CCCC(=O)[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 1641583068 OWSNGGVGDGQDPD-QGZVFWFLSA-N 424.494 1.987 30 10 HDEE N#Cc1cn(CCNC(=O)COc2c(Cl)cc(Cl)cc2Cl)c(=O)nc1O 1641970316 GWYHZYHUGLVEKF-UHFFFAOYSA-N 417.636 1.976 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)CNC(=O)Cc1cccc2ccccc12 1643402802 AQTRMQWOZUOYHI-UHFFFAOYSA-N 418.457 1.569 30 10 HDEE CCN(C(=O)CN(C)[C@H]1CCC[C@@H]1C#N)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1644117272 VORGTUGKVHMMFH-SJORKVTESA-N 424.505 1.556 30 10 HDEE CNC(=O)[C@@H](NC(=O)CNC1(c2ccc(C#N)cc2)CCOCC1)c1ccccc1 1644129385 QGMMCMQCZWQGIA-NRFANRHFSA-N 406.486 1.757 30 10 HDEE C=CCn1ncc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H]4CCS(=O)(=O)C4)C3)cc21 1648046244 QMNLZGSBBPYAEJ-ZBFHGGJFSA-N 402.476 1.196 30 10 HDEE CCCCN(O)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC 1649060943 FKKPOPWPPRYJDO-UHFFFAOYSA-N 402.469 1.356 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2[C@H](C)C=C[C@H]3C(=O)N(CC(F)(F)F)C(=O)[C@@H]32)CC1 1652166674 JQPFHTVCLSJQHT-TUVASFSCSA-N 414.424 1.902 30 10 HDEE C#CCCN1CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 1653801825 RDPMSXZPXJFNQB-UHFFFAOYSA-N 417.531 1.280 30 10 HDEE N#C[C@@]12CN(c3ncnc4cc(F)c(Br)cc34)C[C@H]1CS(=O)(=O)C2 1655884098 JBHTXHWQOFVQRM-VFZGTOFNSA-N 411.256 1.906 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cc(O)ccc3C[C@@H]2C(=O)OC)c1 1660622213 ZLFSXSUCQNOVCR-LJQANCHMSA-N 407.426 1.622 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc(Br)ccc1OCCOC 1664764904 PDRLFTDWSNDIBV-ZDUSSCGKSA-N 406.298 1.791 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)C1 1665457303 MSFONWRKENGRPM-ROJDOSBLSA-N 422.503 1.266 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)N[C@H](Cc1ccccc1)CN1CCOCC1 1669330791 CERFEUFBDYPILR-HXUWFJFHSA-N 415.534 1.916 30 10 HDEE C=C[C@@H]1OCC[C@H]1NC(=O)N=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C 1681179373 YOPKZEPHZYWYRS-CABCVRRESA-N 420.514 1.817 30 10 HDEE C=CCC[C@H]1CCCN1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 1682991952 KQIHIZBEHDZPLL-INIZCTEOSA-N 421.519 1.971 30 10 HDEE COc1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)cc1C#N 1683696696 YSQOUFGZBPJNBA-JKSUJKDBSA-N 404.467 1.736 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689846262 IELMJHWXPAMKRT-AEFFLSMTSA-N 412.542 1.079 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cccc(CO)c1)[C@H]1CCS(=O)(=O)C1 1689993867 MUOCIPVDWAFSCY-IBGZPJMESA-N 414.531 1.398 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@H]1CCCS(=O)(=O)C1 1690050167 VLDLKDNBUHZZQK-GOSISDBHSA-N 411.531 1.552 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1690059406 PLNCACGRJRCDOA-IAGOWNOFSA-N 410.588 1.612 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1690343859 GAUMAMOMXPXSAU-PBHICJAKSA-N 400.932 1.940 30 10 HDEE C=CCNC(=O)Cn1c(Cn2ccc3ccccc32)nnc1N(C)CCC(=O)NC 1690674996 MWPYAPICYQFZRB-UHFFFAOYSA-N 409.494 1.156 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)S[C@H](C)C1 1690723471 SMGPXPMHDIDLDQ-MCIONIFRSA-N 413.569 1.160 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCCC[C@H](C)C1 1690730097 VLOHLAXQFIJFKG-INIZCTEOSA-N 409.556 1.628 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1691002063 VCNSVBGXFVWBSB-FUHWJXTLSA-N 400.531 1.511 30 10 HDEE CC(C)CCN(C)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1692328138 VZSQWMAHBKARIA-QFPXGYFVSA-N 402.499 1.791 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1CCCCC1 1692662236 HAIBMERCWHHFAH-IAGOWNOFSA-N 408.572 1.795 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2Cc2c(C)noc2C)CCOC1 1696084560 BWXVIDAKXQNPFL-HNAYVOBHSA-N 402.455 1.312 30 10 HDEE CCOCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(C)(C#N)CC1 1696396170 JFAYYYAMWQKCHB-OAHLLOKOSA-N 412.560 1.835 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCCOC2)n1C[C@@H]1NC(=O)CC1(C)C 1698061952 ZGJAGVFTKFSEDS-HOTGVXAUSA-N 404.515 1.453 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccc(C(F)F)n1 1705496117 ZYAHCHBHXJBPTD-NWDGAFQWSA-N 410.450 1.414 30 10 HDEE C#CCCCCn1c(N2C[C@H](OC)[C@H](OC)C2)nnc1[C@@]1(OC(C)C)CCOC1 1705521553 DZMYKNIZYVMYIH-LVCYWYKZSA-N 406.527 1.972 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)N(C)c1ccccc1 1705551293 KWWMMKXSYVIZQP-DLBZAZTESA-N 401.536 1.775 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN(C)CCOC 1705587709 GERDTITZSKMEBJ-RTBURBONSA-N 401.555 1.848 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2ccccc2F)CC1 1705631883 CWHPTIAHXHEIQK-UHFFFAOYSA-N 412.513 1.943 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 1705724778 OTYINYWTWBMJSJ-HUUCEWRRSA-N 413.478 1.876 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)NCC)CC1 1705818691 RSFJBHLQAHJTMH-UHFFFAOYSA-N 415.498 1.824 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1705899389 QPICCKIZINEPBA-HXUWFJFHSA-N 401.442 1.382 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@H](C)C1 1705900378 AMWUNSPMFSSQMS-OAHLLOKOSA-N 407.478 1.768 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(Cc2ccc(OCC)cc2)CC1 1705904811 ZFNYKSPBMBWLKX-UHFFFAOYSA-N 412.538 1.864 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC=C(C)C1 1705930382 LZAGVGBXPMXQJN-UHFFFAOYSA-N 416.507 1.683 30 10 HDEE CC(C)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CCO1 1706345637 OAHDCECYHPTHAC-GOSISDBHSA-N 407.482 1.755 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCN1CCOCC1(C)C 1709101689 FUTQTUZTRCUJSO-UHFFFAOYSA-N 411.510 1.486 30 10 HDEE COc1ccccc1-c1nnc(N2CCC(C#N)CC2)n1CCC[C@@H]1NC(=O)NC1=O 1711949503 TZZXAFYIQVSCPL-INIZCTEOSA-N 423.477 1.682 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@H]1CCOC[C@H]1OC 1722385016 XNIIJWZTQJIDMT-UIFIKXQLSA-N 422.485 1.915 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC1(C)COC1 1722393667 GYFQFDMCPTYCHC-UHFFFAOYSA-N 416.485 1.691 30 10 HDEE C#CCN(CC)c1nnc(CCOc2ccccc2)n1CC1(C(N)=O)CCOCC1 1722415982 WLUBNDISDYXITB-UHFFFAOYSA-N 411.506 1.641 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CCNC(=O)c1ccco1 1722428588 HQVDMYBSIDTPTA-MRXNPFEDSA-N 401.467 1.281 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)C2CC2)CC1 1722445910 FEJAQWYFHMRCPF-QHCPKHFHSA-N 422.533 1.775 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCSCC#C)CC1 1722448734 YFSXBFWEQOVISS-GOSISDBHSA-N 415.563 1.504 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722534113 JOVJOHPQUQLCQX-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCN(Cc1ccc(OC)cc1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1722653191 VGRYVBRNSFRARM-UHFFFAOYSA-N 424.509 1.794 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC#N 1722698108 CFSOTCRUFBZJAF-INIZCTEOSA-N 423.525 1.493 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722701362 OCNFAHKQLQOXEE-RBUKOAKNSA-N 422.533 1.423 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc34)n2CCOC)C1 1722714142 LCPMJXFZCWQOGV-OAHLLOKOSA-N 410.478 1.620 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1722737511 JGIUARRGCNJWSR-GOEBONIOSA-N 401.540 1.655 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCOC(F)F)C1 1731177960 AJHWCARQPLNNDZ-QGZVFWFLSA-N 409.372 1.997 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCCN1CCCO[C@@H](C)C1 1740538504 NBOOERMBKASJLT-CNNODRBYSA-N 419.570 1.889 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1740625225 DVTLSRZXIMDNKA-KZNAEPCWSA-N 422.551 1.225 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1C[C@@H](CCC)OC)[C@@H]1CCS(=O)(=O)C1 1740628923 WNSNVQONUIXDRM-BRWVUGGUSA-N 410.540 1.571 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)c(C)c1 1740646303 VKFXJVJOTRUBBE-INIZCTEOSA-N 417.510 1.847 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@]1(O)CCCC1(C)C 1740686659 VUFQCYFDRAONMA-JXFKEZNVSA-N 424.567 1.207 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1740691793 NBUZMCQLZNZHBW-SFTDATJTSA-N 420.517 1.623 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2ccn(C)n2)CC1 1740699209 YBIMLMPJMIZMTM-UHFFFAOYSA-N 419.533 1.609 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2[C@@H]2C[C@H]2CF)CC1 1740702473 PVDSZDASRKOGTP-BHYGNILZSA-N 407.490 1.498 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)C[C@H]1CCOC1 1740989024 XUGJWRQMGAOYLD-QGZVFWFLSA-N 415.519 1.890 30 10 HDEE CCOCc1nnc(N2CC[C@@H](CN3CCOCC3)C2)n1Cc1ccc(C#N)o1 1747107301 NVXFZFJMVIEKGA-INIZCTEOSA-N 400.483 1.486 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1747218639 AXJRXXXGXRMEJW-CVEARBPZSA-N 420.514 1.943 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C2CC2)C(=O)C1 1748760232 WMYMICPZCGTAPF-UHFFFAOYSA-N 412.519 1.494 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(CN2CCCC2=O)cc1 1748765679 QBEAACHWTALPEV-UHFFFAOYSA-N 408.506 1.656 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC1(S(C)(=O)=O)CC1 1748765869 XJFBQEWJWJGMGF-UHFFFAOYSA-N 415.519 1.794 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC)[C@H]1CCS(=O)(=O)C1 1748814423 FUHRUTHAAUNTKQ-INIZCTEOSA-N 403.508 1.312 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cc(Br)c[nH]2)n1CCOCCCO 1748868645 CMXRZFWRLWFBHZ-UHFFFAOYSA-N 420.311 1.898 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC1(S(C)(=O)=O)CCC1 1748907871 PAPOBXTUUUUASS-HXUWFJFHSA-N 424.567 1.746 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCN(CCC)C2)CC1 1748971128 DSDHJVDFKSOUAT-IBGZPJMESA-N 413.570 1.001 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccccn2)CC1 1748978804 OVTCMTHUTHCHQO-HSZRJFAPSA-N 424.549 1.712 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(c2cccnn2)CC1 1749040108 MRDMSHNHIMRSMF-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](C#N)C1 1749085438 BKPUYCIBSQOZJV-STQMWFEESA-N 400.277 1.639 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1749154106 MAOOFTYLDLYSCH-MSOLQXFVSA-N 404.559 1.988 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C2CCOCC2)CC1 1749222235 DLPHCGBKGJZEHN-UHFFFAOYSA-N 413.526 1.629 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCOC2(CCCCC2)C1 1749650338 STGGRMCEQVORHM-UHFFFAOYSA-N 404.515 1.258 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccn(CC)c2=O)C1 1749693485 JSMHCUWNDUHZBS-KRWDZBQOSA-N 414.510 1.428 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCCc2cnn(C)n2)CCOC1 1751006377 GMHDQJKLTNANEN-OXQOHEQNSA-N 416.530 1.818 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@](C)(O)C2CC2)CCOC1 1751018389 NRJHTEAQMNCDBH-SLFFLAALSA-N 407.490 1.922 30 10 HDEE C#CCCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN2C(=O)NC[C@H]2C1 1760129367 KXWZJBLIOXTHIK-INIZCTEOSA-N 401.515 1.214 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](OCC)c1ccccc1 1760162726 FKNVBJPJEOFZPW-RDJZCZTQSA-N 405.524 1.736 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(C(F)F)c2)CC1 1760260055 KUEGAUZPSYDVHT-QGZVFWFLSA-N 414.460 1.970 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@H](C(=O)NC)C1 1760335211 MJRIINNQYAHVKY-PVAVHDDUSA-N 400.483 1.206 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCS(=O)(=O)C(C)(C)C 1760465235 ZSIQXBIBFLFOAK-ZDUSSCGKSA-N 404.558 1.016 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N1CCNC(=O)CC1)C(C)C 1760490070 OZZUTASCZBWGBW-OALUTQOASA-N 416.570 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CCOCC2(CC2)C1 1760552603 UPSVFZMTJRATHH-UHFFFAOYSA-N 403.508 1.558 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(CCC#N)CC1CC1 1767844584 CWPNGNGUPDPGRC-UHFFFAOYSA-N 423.930 1.673 30 10 HDEE COC1(C)CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1768194034 PZBXNBQDGXGHHH-HTXNQAPBSA-N 408.462 1.697 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCSCC2)C1=O 1769054173 KKJARMPCWODTGY-FQEVSTJZSA-N 412.519 1.760 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)C1 1770259057 HHQJGNFIORMSFO-QGZVFWFLSA-N 416.507 1.077 30 10 HDEE CS(=O)(=O)NCCCn1c(CCc2ccccc2)nnc1N1CC[C@](F)(C#N)C1 1770359027 POLQEMRMDGKHHS-IBGZPJMESA-N 420.514 1.445 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC1(O)CCC1 1771218177 BJSWPTFLYASIJQ-RDJZCZTQSA-N 404.515 1.094 30 10 HDEE Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)[C@H]2C(=O)ON1C(=O)c2ccccc2C1=O 1772794674 QYVKXSWFESWXDC-OAHLLOKOSA-N 412.402 1.966 30 10 HDEE C=CCN(C(=O)c1cc(S(N)(=O)=O)c(Cl)cc1Cl)[C@@H]1CCN(C)C1=O 1848997604 IFPGIAIMQDKZTR-GFCCVEGCSA-N 406.291 1.500 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)NCc2ccc(C#N)cc2)CC1 1851782341 BSRZZICEIQQZNZ-QZTJIDSGSA-N 412.490 1.890 30 10 HDEE C=CCN1CC[C@H](N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(C)c4)C3)C(=O)C2)C1 1853741195 KESVRELKRCCLPO-ICSRJNTNSA-N 410.518 1.279 30 10 HDEE N#CC1CCN([C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)C2=O)CC1 1853759051 QKCFWQQANNURAB-APWZRJJASA-N 412.465 1.932 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN([C@H]3CCCCN(C(=O)CC#N)C3=O)C2)cn1 1854065285 MTJPETKWUVJQQG-UXHICEINSA-N 414.554 1.867 30 10 HDEE COc1ccc(Br)c(C(=O)O[C@@H]2CON(S(=O)(=O)CC#N)C2)c1 1854120557 KEJNNNNIULXEDI-JTQLQIEISA-N 405.226 1.084 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2ccc3c(c2)OCO3)C1=O)[C@@H]1CCN(C)C1=O 1854131841 SOZFEAFLFCJAQZ-DLBZAZTESA-N 413.474 1.655 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)C(C)(C)C1=O)[C@@H]1CCOC1 1854459726 JSQFREVHSDLRSE-GDBMZVCRSA-N 419.503 1.369 30 10 HDEE Cc1nc(C(=O)N2CCN([C@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c2ccccn12 1854950180 QFKNRXVUPYZWJI-WMZOPIPTSA-N 408.506 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855007434 PUNMJSPQYKLFHB-IRXDYDNUSA-N 419.526 1.045 30 10 HDEE CN(CCC#N)C[C@H]1CCC(=O)N(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C1 1855537251 FHAXLRGYEKDTMK-OAHLLOKOSA-N 406.508 1.161 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC4(CC(=O)c5ccccc5O4)C3)C2=O)ccn1 1856480239 CRNAKOUGMRHAAX-QGZVFWFLSA-N 402.410 1.414 30 10 HDEE N#CCS(=O)(=O)N1C[C@H](OC(=O)COc2ccc(-c3ccccc3)cc2)CO1 1856866174 HLVDSHBAEXYPLM-SFHVURJKSA-N 402.428 1.745 30 10 HDEE C=CCN(C[C@@H]1CCC(=O)N(C(=O)c2conc2C2CC2)C1)[C@H]1CCN(C)C1=O 1857074470 JUBSHQLWPJMWHE-YOEHRIQHSA-N 400.479 1.650 30 10 HDEE COCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCC4(CC3)C[C@@H]4C#N)ccc21 1857220883 ZRNHNUWVBLVJAP-CQSZACIVSA-N 403.460 1.063 30 10 HDEE N#Cc1ccccc1NC(=O)[C@H](CO)NC(=O)CS(=O)(=O)c1cccc(Cl)c1 1866885238 HDWQIFVGLCQWFI-INIZCTEOSA-N 421.862 1.101 30 10 HDEE C=CCn1cc(OCC(N)=O)c(=O)cc1CN1CCN(c2ccc(OC)cc2)CC1 1870666270 FFHRTVBHXOQPAF-UHFFFAOYSA-N 412.490 1.229 30 10 HDEE C=CCn1c(C(=O)NCCCOCC)cc2c(N(CCOC)CCOC)ncnc21 1873591413 JDKUMENRSTVENE-UHFFFAOYSA-N 419.526 1.873 30 10 HDEE N#C[C@@H]1CN(C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCN1Cc1ccccc1 1883411903 WWNQCFVMXRIZLU-RTBURBONSA-N 404.470 1.353 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)C1COC1 1985179642 IXVAEVQKEDWAQL-OALUTQOASA-N 414.506 1.763 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC(O)C1 1990036324 VLUBXSLAGFKLDH-LTQQYIGLSA-N 424.498 1.376 30 10 HDEE C#CCN(CC(=O)NCc1c(Br)nnn1CC)C(=O)OC(C)(C)C 2010381442 RXQGIUXZLSTYKK-UHFFFAOYSA-N 400.277 1.547 30 10 HDEE Cn1ncc(C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)c1Br 2102372102 PHXFVJJWVBNYBM-UHFFFAOYSA-N 408.065 1.524 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CC[C@@H](C#N)C1)CC(F)(F)F 2118166965 MMWAVEXOPWDYPE-WDEREUQCSA-N 400.423 1.512 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(F)C[C@H](CNS(=O)(=O)N2CCC[C@H](C#N)C2)C1 2174784796 RTLVPLHJPITKQJ-CKEIUWERSA-N 404.508 1.699 30 10 HDEE C#CCOCCOCCNC(=O)[C@@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2189866497 WWEYQVSHMLCKPE-SIKLNZKXSA-N 418.490 1.585 30 10 HDEE C#C[C@@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)OC(C)(C)C 2221673535 BSFFFBNACRWEEE-GJZGRUSLSA-N 411.296 1.995 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2243402379 HJARNVLENBMXTO-GFCCVEGCSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)[C@H]2C1 2243430480 RPCYWVDHOHPDRH-ILXRZTDVSA-N 406.288 1.372 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC)C1CCC1 2258153119 OQUSFQZBZJQUEE-IRXDYDNUSA-N 408.476 1.176 30 10 HDEE C[C@H](C#N)CN(C1CC1)S(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2258181494 OLSPXFXAKYBWRK-CJNGLKHVSA-N 409.464 1.320 30 10 HDEE C#C[C@@H]1CCCCN(S(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)C1 2258183884 ZQCXARHEOBHBGV-NVXWUHKLSA-N 408.476 1.431 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3CC[C@](C)(N)C3)cc2Cl)OC1(C)C 2267707410 QIRSOGXGMFPCPX-HNNXBMFYSA-N 406.766 1.813 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CO[C@H](CN)C3)sc2Cl)OC1(C)C 2281960176 VWQZZKGEVOIKHN-MNOVXSKESA-N 400.737 1.794 30 10 HDEE CO[C@H]1COC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282318403 FKFMLPKFBRTWDS-NEPJUHHUSA-N 403.331 1.048 30 10 HDEE CC1(C)CC[C@H](CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)N1 2282337580 MBPNCQZREDSDTJ-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC[C@H]3CCC[C@@H]3O)s2)OC1(C)C 2282343731 HLBBOFWSKQSNRN-OLZOCXBDSA-N 401.359 1.877 30 10 HDEE CCN1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@@H](C)C1 2282348248 JBISOEBDSXAHHY-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE CN1CC[C@H]1CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282411028 ZTHDRGCHQIPZOO-ZDUSSCGKSA-N 400.737 1.622 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CC[C@@H]3O)c(Cl)c2)OC1(C)C 2282507605 JXFBDXRICAVQTH-FZMZJTMJSA-N 401.721 1.688 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2C[C@](F)(CN)C2)OC1(C)C 2282845780 ZEFZCNCQACXTIS-DRQUAOQDSA-N 404.338 1.296 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCC1CC2(C1)OCCO2 2282846151 FMPBTZFSXXIRIW-UHFFFAOYSA-N 423.340 1.726 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCC[C@H](N)CC3)s2)OC1(C)C 2282850839 UDVVMLBVZVXALR-STQMWFEESA-N 400.375 1.986 30 10 HDEE C[C@H](CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)[S@](C)=O 2282866665 NETOCSOOUGTQQN-NDHGSNPTSA-N 421.777 1.685 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@H](N)C(F)(F)F)OC1(C)C 2282884094 JVLGLCFCWANLKO-NSHDSACASA-N 414.280 1.605 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC3CN(CC(=O)O)C3)c2Cl)OC1(C)C 2284432187 VKZKIXSEUKIAPR-UHFFFAOYSA-N 400.693 1.199 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](C(=O)NCC(F)(F)C(F)(F)CO)[C@@H](O)C(F)(F)F 2361665149 PTWDIHGDWPVBKU-RNFRBKRXSA-N 416.290 1.182 30 10 HDEE CN[C@H](C#Cc1nc(C)cs1)[C@H](O)c1cc(I)nn1C 2363678441 UYVLXPNACFJEHC-RNCFNFMXSA-N 402.261 1.463 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]12CO[C@H](C1)[C@H](NC(=O)OC(C)(C)C)C2 2365202758 PJJFOAMIQZMMFU-GPINWOSQSA-N 400.541 1.473 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(O)CCC[C@@H]1CNC(=O)OC(C)(C)C 2365208015 RCYAJZRYKULOSO-SPYBWZPUSA-N 402.557 1.457 30 10 HDEE C[C@@H](OC(C)(C)C)[C@H](NC(=O)OC(C)(C)C)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367786245 VAFWHZOWCYGPPM-ILXRZTDVSA-N 402.557 1.991 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@](O)([C@@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367806491 KYKNIOHGSOWURV-YGTYGHESSA-N 400.541 1.291 30 10 HDEE C=CC1(N[C@]2(C(=O)O)C[C@@H]3CS(=O)(=O)C[C@@H]3C2)CN(C(=O)OC(C)(C)C)C1 2378875267 GRMLFQJVDXIMMP-IVWMJMPLSA-N 400.497 1.030 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1 7936211 KUEBTBNJDJULKE-QWHCGFSZSA-N 405.432 1.099 30 10 HDEE C=CCNC(=O)CN1CCN([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)CC1 27903080 HSUXGCMSWMRYPG-JTQLQIEISA-N 420.382 1.629 30 10 HDEE CCNC(=O)[C@@H]1CC(=O)N(CC(=O)OC)/C(=N/c2ccc(C(=O)OCC)cc2)S1 58945558 SZKGGYLPHINHCX-MPHHAOFMSA-N 421.475 1.494 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@@H](c2ccccc2)[C@H](C#N)C(=O)N3)CC1 72444569 OGERAPIVZCQTBT-HOTGVXAUSA-N 421.457 1.773 30 10 HDEE O=C1C(=O)N(CCOCCO)[C@H](c2ccccn2)/C1=C(/O)c1cccc([N+](=O)[O-])c1 103120192 KRMDUSCDYZUIKU-FXBHHXAOSA-N 413.386 1.420 30 10 HDEE C[C@H](Cn1cnc(I)c1I)/C(N)=N/O 306309484 SBKHLRXUSAYCJP-SCSAIBSYSA-N 419.992 1.475 30 10 HDEE C[C@H](/C(N)=N/O)n1cnc(I)c1I 307130808 FUGBXXJOICRIMR-GSVOUGTGSA-N 405.965 1.400 30 10 HDEE COC(=O)C[C@@H](NC(=O)[C@@H](C)n1cnc(C#N)n1)c1cccc(Br)c1 409505093 VGKCHHRABHJDHB-ZWNOBZJWSA-N 406.240 1.894 30 10 HDEE CCN(CCC#N)S(=O)(=O)N1CCN(c2ccc(Br)cn2)CC1 409575042 PKKBRFVDNZANGD-UHFFFAOYSA-N 402.318 1.446 30 10 HDEE Cc1cc(N2CCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)CC2)n2ncnc2n1 409618962 MENYKYAOPSZBMR-UHFFFAOYSA-N 413.445 1.453 30 10 HDEE Cc1cc(Cn2c(=CC(=O)C3CC3)sc(=Cc3ccc(C#N)s3)c2=O)ncn1 426916069 INXAKHNGKGYPNY-UHFFFAOYSA-N 408.508 1.578 30 10 HDEE C[C@H]1CN(C(=O)C(=O)Nc2cccc(OCc3cccc(C#N)c3)c2)CCN1CCO 427398782 ZQCGIIOTXHPRDR-KRWDZBQOSA-N 422.485 1.601 30 10 HDEE CN1CCN(C(=O)CC2CCN([C@H]3CCN(c4sccc4C#N)C3=O)CC2)CC1 435054501 DAWHHWCYPUMGRR-SFHVURJKSA-N 415.563 1.601 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNS(=O)(=O)c1ccc(N2C[C@H](C(=O)O)CC2=O)cc1 435887005 FBOBXBKXEUMKJD-IYOUNJFTSA-N 408.476 1.384 30 10 HDEE CS(=O)(=O)c1ccc(OCCNC(=O)NCCOc2ccc(C#N)cc2)cc1 465855595 CMEBFQYEWGFODL-UHFFFAOYSA-N 403.460 1.719 30 10 HDEE C[C@H]1C[C@@H](C)CN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)[C@H]1C 475722871 IZXYGCCGWZHWBY-SQNIBIBYSA-N 418.563 1.758 30 10 HDEE CN(C)S(=O)(=O)c1cccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)c1 480734064 CMGHCAHZQXHSKT-UHFFFAOYSA-N 411.480 1.567 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCN(CCOC)C(=O)C1 508795208 NDDSBOIVWKPTIE-UHFFFAOYSA-N 410.522 1.712 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(C(=O)N(CC)CC)CC1 508885088 METZLTTVBMHBNH-AWEZNQCLSA-N 412.560 1.159 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(F)cn2)CC1 508945181 JNDVBNQFYJTRFP-AWEZNQCLSA-N 406.487 1.227 30 10 HDEE CS(=O)(=O)N1CC[C@H](CNC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)C1 510275058 RLQRQSRXMNILGZ-MRXNPFEDSA-N 406.508 1.393 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)ccc1F 518975474 CFXUCPDGSPICON-GOSISDBHSA-N 403.479 1.919 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cnn4cc(Br)cnc34)CC2)c1 536691373 NQYGQBBTKPZBQL-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4C(=O)CC[C@H]4C3)n2C[C@@H]2CCCO2)cc1 549889341 CVQFCJKWTNFXCX-HKUYNNGSSA-N 422.489 1.719 30 10 HDEE COC(=O)C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CCCO2)CCO1 555409148 DSODCJNTNLYQSG-ZWKOTPCHSA-N 411.462 1.764 30 10 HDEE Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)CC#N)CC2)ccc1[N+](=O)[O-] 561681134 YTGIEVZNAXHJQQ-KRWDZBQOSA-N 413.434 1.092 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)NC3CCC(C(=O)NC(N)=O)CC3)C2)c(F)c1 572653872 VBAIGVVQVXXRSJ-SLTAFYQDSA-N 401.442 1.394 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 589488254 MYJYIOOBDPSDLY-UHFFFAOYSA-N 413.503 1.197 30 10 HDEE CCc1ccc(C=c2sc(=C(C#N)C(=O)NC3CC3)n(C[C@H]3CCCO3)c2=O)cc1 603798189 JPJPDURFYSHDMF-GOSISDBHSA-N 423.538 1.433 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 609146455 DJXPXQNYEZMRKD-NQIIRXRSSA-N 414.550 1.557 30 10 HDEE Cc1nc(I)c(I)n1CC[C@@H](N)C#N 725538098 QQAKQMUJHLKWAN-ZCFIWIBFSA-N 416.004 1.642 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)nn1-c1ccccc1[N+](=O)[O-] 732651469 BBZVDBYCXJHEJA-HNNXBMFYSA-N 408.418 1.262 30 10 HDEE N#C[C@H]1CN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CCN1C1CC1 732663971 JECFZDWLPDWQBG-AWEZNQCLSA-N 417.466 1.767 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)N3CCN(C4CC4)[C@@H](C#N)C3)CC2)cc1 732675344 SUWIEMDYIWWIJL-FQEVSTJZSA-N 412.538 1.199 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 734215035 FQXYDQBMDYTPFQ-ZGTROFRASA-N 407.471 1.212 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@@H](C(N)=O)C2)c1 739049486 OXLZTFLZTUNOBT-GNUWIVDASA-N 421.523 1.665 30 10 HDEE C#CCCN1CCC(NC(=O)CCCN(C)S(=O)(=O)c2ccc(OC)cc2)CC1 740736025 AQMWOGYLBQFUJG-UHFFFAOYSA-N 421.563 1.700 30 10 HDEE C[C@H](Oc1cccc(Br)c1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 742071638 GQKVSCIXJMCQRG-NRYCMEERSA-N 408.252 1.859 30 10 HDEE CCN(C(=O)C/N=C1/NS(=O)(=O)c2ccccc21)[C@H](COC)Cc1ccccc1 746529623 DNLSTBAKDVAWLQ-KRWDZBQOSA-N 415.515 1.831 30 10 HDEE COC(=O)c1sc(NC(=O)COC(=O)c2cc(C#N)cn2C)c(C(=O)OC)c1C 751729517 MNUQMRGNCVHPMY-UHFFFAOYSA-N 419.415 1.635 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1 753745328 ZRTJLICSXZTVHP-SREVYHEPSA-N 409.508 1.962 30 10 HDEE O=C(C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)NCC[C@@H](O)C(=O)O 757470303 FSAAWGKBFXHACO-HXUWFJFHSA-N 422.437 1.480 30 10 HDEE C#CCN(C(=O)c1cc(I)ccc1C)[C@H]1CCS(=O)(=O)C1 763293901 JSDNMYCVRVTCIY-ZDUSSCGKSA-N 417.268 1.862 30 10 HDEE CN([C@@]1(C#N)CCOC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 769854159 KOBDCZJQNXOIHK-CYBMUJFWSA-N 423.310 1.156 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1)c1cc[nH]n1 772383663 LTQGXROBTKLEJZ-QGZVFWFLSA-N 413.478 1.426 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2ccc(C#N)cc2)[C@H](C)O)cc1C 777303050 APWPLXGPIGSVTG-KXBFYZLASA-N 402.472 1.946 30 10 HDEE CNC(=O)c1cncc(/C=C/C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 780031086 JKXXWEXAGHFZLG-AIADIJKESA-N 403.442 1.638 30 10 HDEE Cc1ccc(NCCOc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)nc1C#N 786800922 VXRMPUYALLBGLB-UHFFFAOYSA-N 424.504 1.478 30 10 HDEE N#C[C@H](C(=O)CN1CCc2ccccc2C1=O)C(=O)NCc1ccc([N+](=O)[O-])cc1 789491343 JRWNBMJNDJEESS-GOSISDBHSA-N 406.398 1.618 30 10 HDEE C=CC[C@]1(C(=O)N2CCC[C@H](CS(N)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790604255 PBGJMQMKPRDVIJ-HNAYVOBHSA-N 415.556 1.859 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCc1ccn(Cc2ccccc2)n1 791307152 RXDGKZRQAWTUGE-UHFFFAOYSA-N 423.498 1.676 30 10 HDEE COc1ccc(CNC(=O)[C@](C)(O)Cn2cc(C(F)(F)F)ccc2=O)cc1C#N 792257451 UVBQMNWLGHLNJC-GOSISDBHSA-N 409.364 1.815 30 10 HDEE C#CCOc1ccccc1CNC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 792741144 VJUKTZMOLZYAHO-LJQANCHMSA-N 421.545 1.635 30 10 HDEE Cc1ccc(-c2nnc(COC(=O)CNS(=O)(=O)c3cccc(C#N)c3)o2)cc1 795326663 BVVAUOSDIKGISA-UHFFFAOYSA-N 412.427 1.938 30 10 HDEE N#Cc1cc(C(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)ccn1 795971503 QNAGMUKIKJEJIC-OAHLLOKOSA-N 419.484 1.387 30 10 HDEE COc1ccc(C2=NO[C@@H](CNS(=O)(=O)c3cnc(C)c(C#N)c3)C2)cc1F 813701290 HFSKGJCOYGGEEO-CQSZACIVSA-N 404.423 1.881 30 10 HDEE CC(C)c1ccc(C=c2sc(=C(C#N)C#N)n(CCN3CCOCC3)c2=O)cc1 916201610 UXDVECKWKGTAMS-UHFFFAOYSA-N 408.527 1.392 30 10 HDEE COC(=O)c1cc(C=c2sc(=C(C#N)C#N)n(-c3ccccc3C#N)c2=O)oc1C 917797306 JCLVEOZNTQYLLW-UHFFFAOYSA-N 416.418 1.485 30 10 HDEE Cc1nn(CCO)c(C)c1C=NNc1nc(SCC(=O)N2CCCC[C@H]2C)n[nH]1 1084230856 WQQXJLMJYQJDHF-GFCCVEGCSA-N 420.543 1.549 30 10 HDEE CS(=O)(=O)CC1(NC(=O)c2cccc(COc3ccccc3C#N)c2)COC1 1130776664 FOQKMYHUUFKFPT-UHFFFAOYSA-N 400.456 1.681 30 10 HDEE O=C1CCN(CC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C(=O)N1 1134405537 YNGUVDFDICQDHM-BQBZGAKWSA-N 423.260 1.558 30 10 HDEE C=C(Cl)CSc1nc(C)c(CC(=O)N2CC[C@@H](CS(N)(=O)=O)C2)s1 1134645174 BKJLETFNXOMVSK-LLVKDONJSA-N 409.986 1.976 30 10 HDEE CC[C@H](O)Cn1cc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)nn1 1136281743 NTXNFRRNCZOJDO-NNLSSIJJSA-N 420.495 1.114 30 10 HDEE C=CCCC[C@@H](C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 1136325797 JNKODJUHHCYLLO-LJQANCHMSA-N 411.502 1.946 30 10 HDEE Cc1ccc(C(=O)/C=C/C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)cc1 1137131338 ZWHNNAYKYPNKMW-CMDGGOBGSA-N 408.520 1.633 30 10 HDEE CC(C)(C)OC(=O)NCCNC(=O)[C@@H]1CCCN(C(=O)C2(C#N)CC3(CC3)C2)C1 1142596221 AEMMQKHAINKASG-OAHLLOKOSA-N 404.511 1.950 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(CCN3[C@@H](C)CC[C@H]3C)CC2)c1 1167298696 YADSNJCOSTWEJI-KDURUIRLSA-N 411.550 1.806 30 10 HDEE CSCC[C@@H](C(=O)NCC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1180610493 RJZOQAZILFOTIV-XHSDSOJGSA-N 407.536 1.720 30 10 HDEE CC[C@](COC)(NS(=O)(=O)c1ccc(C#N)c(Br)c1)C(=O)OC 1191053166 GBXXVCVJQGSRDH-CQSZACIVSA-N 405.270 1.567 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)N1CCCN(c2ccc(C(=O)OCC)cn2)CC1 1253779662 QXPGKCCSZLYGBZ-SFHVURJKSA-N 402.495 1.908 30 10 HDEE C=CCN(C(=O)c1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)C1 1264995447 GYTKQYRXVZKHHC-CQSZACIVSA-N 400.447 1.617 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O 1270654854 CEGLLPRVSHBWLT-YOEHRIQHSA-N 415.533 1.216 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCCN1S(C)(=O)=O 1286282842 SMZZOKSDKSOORX-CRAIPNDOSA-N 412.519 1.699 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2C)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286296910 SUZYEBBKDCEOMW-ROUUACIJSA-N 415.563 1.917 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CCC(=O)NC 1286317078 IWYNCXUTOJYRBZ-UHFFFAOYSA-N 407.482 1.297 30 10 HDEE C#CCCCCn1c([C@H]2CCCOC2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1286323891 JUHIZRYJABLWNI-ZWKOTPCHSA-N 404.536 1.602 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2[nH]1 1286360029 BZNFYTVKIWWKAI-CQSZACIVSA-N 400.508 1.682 30 10 HDEE C#CCN(c1nnc(-c2ccccc2C)n1CC1(O)CC1)[C@H]1CCS(=O)(=O)C1 1286387472 RHUUUCQSOZSJBK-INIZCTEOSA-N 400.504 1.405 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCC(=O)NCCC)CC1 1286478986 NILHMVFWULLNBI-UHFFFAOYSA-N 412.513 1.680 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC[C@@H]2CCOC2)CC1 1286491995 CFZZBYRNPASUSU-IEBWSBKVSA-N 415.538 1.565 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1286633974 OJSKSKBXFLILDX-UGUYLWEFSA-N 409.918 1.717 30 10 HDEE C=CCC(C)(C)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCNC(=O)C1 1286666894 HBKIVQMIQIGFEQ-UHFFFAOYSA-N 407.482 1.459 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 1286821153 BWESFYPPQHKJOQ-CABCVRRESA-N 411.528 1.012 30 10 HDEE C#CCCN(CC(F)(F)F)C(=O)[C@@H](CC(N)=O)NC(=O)c1ccccc1Cl 1296101745 QTIHKFQFYJZOHC-CYBMUJFWSA-N 403.788 1.728 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCn2nc(C)nc2C1 1297587586 QAPUOBXESPRGFH-UHFFFAOYSA-N 408.466 1.685 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)C1=O 1298873652 GBGMEPFXOIMBGU-WOJBJXKFSA-N 400.433 1.928 30 10 HDEE N#Cc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F 1299371935 GGCFVONTRVMTDG-BBWFWOEESA-N 421.494 1.423 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cccnc2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1300315466 YAYQHCVRUWXTFT-NVXWUHKLSA-N 422.455 1.985 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1300476068 XMVRQNPUVYYDSX-UHFFFAOYSA-N 403.508 1.270 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1CC1(CS(C)(=O)=O)CC1 1300520703 NKMLNSUIVLUWBU-UHFFFAOYSA-N 417.922 1.891 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(OC)cc1OC 1300663389 ABDWCXDZWMYMEE-QGZVFWFLSA-N 413.478 1.381 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnn(C)c2)n1CCOc1ncccc1Cl 1300663675 CXIUNMREQKUUAF-UHFFFAOYSA-N 415.885 1.892 30 10 HDEE C#CCSCCn1c(N2CCC(CO)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1300778340 SRBWGAIQDHTUEZ-HXUWFJFHSA-N 408.568 1.894 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCOC2CCOCC2)C1 1301555120 SRYYSBOEMZJQTM-QZTJIDSGSA-N 419.526 1.596 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2O)C1 1301618656 UEIRHOZEKGGWCJ-UHFFFAOYSA-N 414.535 1.983 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cn(CC)c(=O)nc1O 1302940656 NVKBJYFVBCMOJS-LBPRGKRZSA-N 400.863 1.621 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CC1CC2(CCOCC2)C1 1303802759 COVOHSDTXCTKOR-CABCVRRESA-N 424.571 1.833 30 10 HDEE CC[C@H](C)c1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CCCNC(C)=O 1305525419 WGVGXTDVILEKSE-INIZCTEOSA-N 410.526 1.911 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](CC)N1CCCC1 1305789545 FEHPPHSPRSUFME-ZWKOTPCHSA-N 417.558 1.800 30 10 HDEE C#CCCN1CCN(C[C@@H](O)c2ccc3c(c2)CN(C(=O)C(F)(F)F)CC3)CC1 1307653003 BLSUTUDYUAYNGY-LJQANCHMSA-N 409.452 1.808 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(-c2ccc[nH]2)n1CCC[C@@H]1NC(=O)NC1=O 1314740277 SWMCATDTYOYFAT-KRWDZBQOSA-N 418.461 1.769 30 10 HDEE CSC[C@@H]1CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C#N)o1 1316435590 XZCKBCBQIUTJEU-OLZOCXBDSA-N 424.552 1.733 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)CC1 1323676017 WREJHVNAEQKTJV-MSOLQXFVSA-N 420.554 1.354 30 10 HDEE Cc1cc(=O)c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)nn1-c1ccccc1 1352234394 AXFDFNIPWZRJTD-UHFFFAOYSA-N 405.418 1.225 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@@H]1NC(=O)CC1(C)C 1358894197 KBYWNOMSTFNLKK-WBVHZDCISA-N 405.506 1.889 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1c(C)coc1C 1358994721 UZMDIGKJTFFPGO-KRWDZBQOSA-N 400.504 1.901 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cnccn2)n1Cc1nnc2n1CCCCC2 1359022845 ONJGLOCFTFTEBE-UHFFFAOYSA-N 407.482 1.187 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2ccc(F)cc2C)CC1 1359035168 MTNFVOPNAUJFKC-LJQANCHMSA-N 410.497 1.675 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CC2(COC)CCOCC2)C1 1359312285 QZWHGWRSTIVLIK-QGZVFWFLSA-N 421.542 1.641 30 10 HDEE CCc1ccc([C@@H](C#N)NC(=O)c2ccc(S(=O)(=O)NC[C@H](C)O)cc2)cc1 1450549168 UJLPRCLALLDLRR-IFXJQAMLSA-N 401.488 1.903 30 10 HDEE COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)c1[nH]c2ccccc2c1C#N 1450964016 NLKXXACOGOZBIE-NHYWBVRUSA-N 400.460 1.622 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2N(C(=O)OC)C3)c1 1451789418 AMPDJSKEEMQLER-FHLIZLRMSA-N 404.488 1.833 30 10 HDEE CC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 1456063735 GCEBYNIVSCSCDA-UHFFFAOYSA-N 415.538 1.258 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC#C[C@@H]3CCCCO3)CC2)cc1 1457029070 KBPAZQBSVFVZKW-IBGZPJMESA-N 420.531 1.785 30 10 HDEE COC(=O)/C=C\[C@H](C)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1457274746 ASQXXXYPVRXZEG-FCIQKIPGSA-N 405.476 1.193 30 10 HDEE C#CCN1CCC[C@@H](NS(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])C1 1464496485 MBZLAMVWIZDHIG-SNVBAGLBSA-N 420.260 1.872 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NCCNS(=O)(=O)c1cccs1 1469465226 FWTQITAZXAURMG-OAHLLOKOSA-N 408.505 1.273 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc(C)c(C)c1 1470394485 NPWWCQDQHLTYQY-SCTDSRPQSA-N 419.547 1.925 30 10 HDEE COC(=O)C1=CC[C@@H](NC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)C1 1478977682 ZPFWRHSSLVXTBE-OAHLLOKOSA-N 408.462 1.820 30 10 HDEE C#CCCCCC(=O)N1C[C@@H]2CCC[C@]2(CNC(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C1 1490957314 XYBONFSDNVPGKT-ILZLQZNLSA-N 402.535 1.976 30 10 HDEE C[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCCO1 1494170463 LIISXOIIXSBYPH-HYEKCJMVSA-N 402.499 1.717 30 10 HDEE CCN(C)c1nnc(COc2ccccc2F)n1CCN/C(O)=C1/N=CC=CC1=O 1501487745 DSGOAMWFZDYCQA-HNENSFHCSA-N 414.441 1.979 30 10 HDEE CN(C)CCOCCn1c(Cc2ccccn2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1503402474 GXFIHMWAGHQKJJ-FQEVSTJZSA-N 424.553 1.019 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1507632205 JSUPNZFZNJPOLL-MLHJIOFPSA-N 422.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1507648118 KIVIRACGETWLSY-KRWDZBQOSA-N 417.448 1.291 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCC1 1507772957 OGCDJOFCLUNYNC-VQIMIIECSA-N 405.568 1.657 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(OCC(N)=O)CC1 1507830184 WKKCBOLACIZYAG-UHFFFAOYSA-N 402.455 1.053 30 10 HDEE C=C(Cn1c(COCC)nnc1N1CCN(CC(=O)NC2CC2)CC1)c1ccccc1 1507850096 BLSOLKHCXLVJLQ-UHFFFAOYSA-N 424.549 1.929 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCCN(S(C)(=O)=O)CC1 1507935446 PPLKMHBOGSWSMC-OAHLLOKOSA-N 410.544 1.057 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCC1)C1CC1 1507987403 BEMWAIKAZHTTGT-OAHLLOKOSA-N 424.571 1.446 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1508072758 GLEWEACVVVWDKP-ZBFHGGJFSA-N 415.929 1.969 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2OC)nnc1N1CCC[C@@H](CC(N)=O)C1 1508081621 LTYKHEQAFKGNQM-HNNXBMFYSA-N 412.494 1.348 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CC[C@@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1517044130 UYRQKJVACYPXHJ-AEFFLSMTSA-N 415.519 1.867 30 10 HDEE N#Cc1cccc(C(=O)NCCNS(=O)(=O)Cc2ccon2)c1Br 1520526493 BGJYPMIXBOJLBU-UHFFFAOYSA-N 413.253 1.158 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc(CC3CC3)n1CCSCCCO)C2 1521082266 DZYURNNRFMUCRC-UHFFFAOYSA-N 414.535 1.881 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 1529258377 HTEOECSSSMMDQF-QGTPRVQTSA-N 423.491 1.845 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(C#N)s2)cc1 1536694529 FEODTCIUAIQGJA-UHFFFAOYSA-N 406.489 1.515 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)N(C)c3ccc(C#N)nc3)n(C)c2)C1 1537998296 FZLSARWSBLRPTK-AWEZNQCLSA-N 401.492 1.989 30 10 HDEE COC(=O)c1cc(C(=O)Nc2ccc(C#N)cc2I)n(C)n1 1538009276 DHRBDJTYSKCPFI-UHFFFAOYSA-N 410.171 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCn1cncn1 1539002361 CGUVSAZRZKOROK-OAHLLOKOSA-N 417.477 1.425 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1539025690 LDZOWQGIWROEJD-LSDHHAIUSA-N 412.460 1.743 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2nc(C)cc(OC)n2)CC1 1539119046 GCRQRXCSVMVEND-KRWDZBQOSA-N 411.510 1.629 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1CCCCn1cc(Br)cn1 1539174668 KGGKYHZRXFYZIK-CQSZACIVSA-N 420.315 1.738 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CCCCNC(=O)OC(C)(C)C 1539190547 MFYSUFBWFLSLCN-UHFFFAOYSA-N 404.515 1.775 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2C[C@@]2(O)CCN(C)C2)CC1 1539454732 ZNCSEQVXUXWFKP-XMMPIXPASA-N 422.577 1.275 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)NC(C)C)n2CCC(C)(F)F)CC1 1539467357 RVHJOXMRGJQCOI-UHFFFAOYSA-N 410.469 1.427 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1539641454 MRFWSTDCXLXLAJ-VXNCWWDNSA-N 403.527 1.758 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccccn2)CC1 1539874733 OVCLWZTZRQGNRE-HNNXBMFYSA-N 404.540 1.928 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1540902048 YPCCRXHBPACZOA-IBGZPJMESA-N 409.556 1.057 30 10 HDEE CCS(=O)(=O)CCNC(=O)[C@@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1542815102 AOXXJUQGMDDLCB-KRWDZBQOSA-N 421.519 1.943 30 10 HDEE C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cc(CO)nn2)C[C@H](C)O1 1544756434 VSSPOKWUURGDKR-HOTGVXAUSA-N 422.493 1.604 30 10 HDEE CN(C)C(=O)CCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1552681778 RITDQZXIJGPXAO-JOCHJYFZSA-N 421.505 1.402 30 10 HDEE CN1C[C@](C)(Cn2c(-c3cccc(C#N)c3)nnc2N(C)CC(=O)NC(C)(C)C)C1=O 1554354829 RKAWSQOEVKJAEZ-JOCHJYFZSA-N 423.521 1.646 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCn3ncc(Br)c3C2)c1 1557504325 UPWHZFBAWWZZDF-UHFFFAOYSA-N 423.292 1.213 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@H](CO)Cc2ccc(F)cc2)c1 1566385319 SITRTOUCJHNCIL-CQSZACIVSA-N 408.426 1.843 30 10 HDEE C#CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1O 1569857766 UWKZEFMDUBLBNH-AWEZNQCLSA-N 408.863 1.960 30 10 HDEE CC(C)(C)OC(=O)NC1(CC(=O)N2CCN(c3ccc(C#N)cn3)CC2)COC1 1583088570 YJWVOFUXEHDQJK-UHFFFAOYSA-N 401.467 1.286 30 10 HDEE COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)C3(C#N)CCCC3)CC2)cc1 1586834740 BJUIJZKLCWUEEX-UHFFFAOYSA-N 420.535 1.347 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)N1CCN(CCC#N)CC1 1587545790 CMYOKKKIPFLKAI-QGZVFWFLSA-N 409.531 1.100 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CCCn2nc(C(=O)N3CCN(CCC#N)CC3)cc21 1587545987 JOMMBYYZFAQWJE-OAHLLOKOSA-N 402.499 1.914 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1c(CC)nn(C)c1OC 1587683299 GTOXWGOUDHZLFH-VKJFTORMSA-N 416.526 1.813 30 10 HDEE COC(=O)c1ccc(CCNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)cc1 1587767935 WOJUDWYNVNZTBV-UHFFFAOYSA-N 404.419 1.882 30 10 HDEE CCOC(=O)[C@@H](CC=C(C)C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1587890671 OXTFDAHNOFXJJJ-WMLDXEAASA-N 407.492 1.629 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(OC)CCC(C)CC2)CC1 1588805759 BEIIUCKJLMTOIB-WUZYXKQASA-N 414.554 1.580 30 10 HDEE C#CCSCCn1c(Cc2cccnc2)nnc1N1CCN(C(=O)OCC)CC1 1589089725 XDKBYMIXQYSTHV-UHFFFAOYSA-N 414.535 1.909 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1593636709 QLOFOOGIIPUZRR-MELADBBJSA-N 404.558 1.014 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1594752237 CDNQVPLPLKNZQY-UHFFFAOYSA-N 420.521 1.960 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCN(C(=O)C2CC2)CC1 1594752287 DVMHNALDGJUIDG-UHFFFAOYSA-N 400.527 1.815 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccnc1C 1595303281 PFKXAEWNFQKFDT-MRXNPFEDSA-N 420.539 1.160 30 10 HDEE COc1ncc(NC(=O)[C@]2(F)CN(C(=O)OC(C)(C)C)CC23COC3)cc1C#N 1595367564 RIVRGVFDKOEZLQ-LJQANCHMSA-N 406.414 1.876 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN2CCCC[C@@H]2C1 1595798406 PAMFASVVUKSPJV-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE C=CCS(=O)(=O)CCn1c(CCc2ccccc2)nnc1N1CC(C)(OC)C1 1595823716 RVOZQCWSKYFFKI-UHFFFAOYSA-N 404.536 1.889 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccco2)CCO1 1596632589 CXQNUBKGDORPDV-IBGZPJMESA-N 406.446 1.799 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCO[C@@](C)(C(=O)NCCNc2ncccc2C#N)C1 1597739127 ZJJKTUACLDRKHO-MGPUTAFESA-N 403.483 1.944 30 10 HDEE N#Cc1ccc(NCC(=O)N2C[C@@H]3CCCS(=O)(=O)[C@]3(C(F)(F)F)C2)cc1 1607586894 XYDDPROEOOCJKN-XJKSGUPXSA-N 401.410 1.938 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCC[C@]2(CCOC2)O1 1611287830 ZWADBLFVEMBPBI-CBGDNZLLSA-N 416.526 1.981 30 10 HDEE Cc1cn2c(n1)[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1)CCC2 1612344953 GNAJDINGUFKOCC-HOTGVXAUSA-N 412.498 1.228 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1C[C@H]1NC(=O)CC1(C)C 1612598513 OCFWGEJMEXUQBB-GOSISDBHSA-N 411.485 1.839 30 10 HDEE C#CCOCCn1cnc(I)c1I 1614654204 FJBTXQMCKPCDQK-UHFFFAOYSA-N 401.973 1.742 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@@]2(N(C)C)CCSC2)CCOC1 1616140235 GTNCZQGFZGNMQT-LSTHTHJFSA-N 422.599 1.963 30 10 HDEE CCO[C@]1(c2nnc(N3CCC(CC#N)CC3)n2CC[C@H]2COCCO2)CCOC1 1616206253 ZSCJKYGOCROOSJ-GHTZIAJQSA-N 419.526 1.866 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC(N2CCNC2=O)CC1 1617180203 SLTMZSDHQKHRKR-UHFFFAOYSA-N 409.494 1.847 30 10 HDEE COc1cccc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)c1 1619368631 DKKLVEDVVKTYEH-HOCLYGCPSA-N 403.508 1.975 30 10 HDEE COCCCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1619820436 QXDYKTZTZDPDCL-HNNXBMFYSA-N 423.477 1.347 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1Cc1ccc(C#N)o1 1620023404 RGJUHJMFJKNZRB-LSDHHAIUSA-N 414.466 1.326 30 10 HDEE C[S@@](=O)Cc1ccc(Cn2c(-c3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cc1 1620180610 DHLGEOASDCYLOU-YVGXBJCXSA-N 422.514 1.996 30 10 HDEE C=CCn1cc(C(=O)NC[C@@H](CO)Cc2ccc(OC)c(Br)c2)nn1 1624336150 UJYFJNVKTUOYLP-ZDUSSCGKSA-N 409.284 1.816 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)cc1 1625284997 KDCKWGBVHKXNNJ-QGZVFWFLSA-N 421.519 1.584 30 10 HDEE C=CCN(CCOC)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1626631961 NRGNZDACQJWKOM-OWCLPIDISA-N 416.540 1.318 30 10 HDEE CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)c1cccc(C#CCO)c1 1627681202 LZNZZMJUUZMLCL-UHFFFAOYSA-N 401.488 1.599 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 1627905588 KCFPYFFUZIUXNA-SJORKVTESA-N 422.526 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C2(C(=O)NCC3CCN(CC#N)CC3)CCC2)C1 1627909673 CFOXPBGHLXDTQG-UHFFFAOYSA-N 406.527 1.490 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)Nc1ccc(COCCO)cc1 1630501321 GCCBOOJKQRJJLR-UHFFFAOYSA-N 403.460 1.263 30 10 HDEE C#CCC1(O)CCN(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 1632027859 IMSGRAMNWNIJFW-UHFFFAOYSA-N 419.547 1.541 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)c1c(CNC(=O)OC(C)(C)C)cnn1C 1632227367 CUGAQQCQBWUSFV-UHFFFAOYSA-N 406.483 1.862 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCc2cc(S(=O)(=O)Nc3ncccn3)ccc21 1633193073 JDQFDADCMOXYTH-WBVHZDCISA-N 400.460 1.758 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2cncs2)C(=O)OC)c1 1633891837 GEUQYXZQFVGWHW-HNNXBMFYSA-N 409.489 1.122 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CC4(CCOCC4)CO3)C2=O)cc1 1634918560 JLOSZFFLOGNOBO-RTBURBONSA-N 412.490 1.544 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC[C@H](c3nn[nH]n3)C2)C1 1636502875 WOISJFGZVYFVCK-JTQLQIEISA-N 402.256 1.286 30 10 HDEE Cc1nnc(N2CCN(C(=O)c3ccc(S(=O)(=O)CCCC#N)cc3)CC2)n1C 1639570398 CMGALNOOMANFKJ-UHFFFAOYSA-N 416.507 1.163 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC[C@H](Nc4ncccn4)C3)C2=O)cc1 1639942565 IFEJWMHPXKHWRD-DOTOQJQBSA-N 419.445 1.266 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC[C@@]3(O)C[C@H]4C=C[C@H]3C4)CC2)cc1 1640061921 BXCVEWHCTFDOQD-MDKPJZGXSA-N 415.515 1.402 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1Cc1ccccc1 1641281654 FKTKJAJSRQWLEX-UHFFFAOYSA-N 406.442 1.224 30 10 HDEE COc1cc(C#N)ccc1OCCn1c(Br)nc2c1c(O)nc(=O)n2C 1641357843 AOPXGUSNJVQKGZ-UHFFFAOYSA-N 420.223 1.557 30 10 HDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(CCC#N)CC1 1642915796 KJWXWSGJCAZWDN-CYBMUJFWSA-N 409.468 1.097 30 10 HDEE N#Cc1cn(CCC(=O)N[C@@H]2COc3cccc(Br)c3C2)c(=O)nc1O 1643350995 NYDDOPBESPBROI-NSHDSACASA-N 419.235 1.093 30 10 HDEE COc1cccc(C[C@H](C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)n2nnnc2C)c1 1644587312 IOMVICHMJHQSQE-RTWAWAEBSA-N 420.473 1.838 30 10 HDEE C#C[C@@H]1COCCN1CC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 1646112300 BMEHOBXKQFNPJO-QGZVFWFLSA-N 423.535 1.388 30 10 HDEE Cn1c(SCC(=O)NCc2cccc(C#N)c2)nc2cc(S(N)(=O)=O)ccc21 1652450961 NLBGLAWJJBPVTL-UHFFFAOYSA-N 415.500 1.501 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(CCC(=O)Nc2ccccc2C#N)CCO1 1655212228 RIKRYSVEEOPGJL-NRFANRHFSA-N 403.479 1.946 30 10 HDEE CCOC(=O)[C@@]1(F)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@@H]1CC 1655558279 XFTNFXWLMUERJN-MGPUTAFESA-N 421.473 1.117 30 10 HDEE C=CCOc1c(Cl)cc(CN2CCN(C(=O)CN3CCOCC3)CC2)cc1OC 1657630609 WTUAKDMMTUVQOB-UHFFFAOYSA-N 423.941 1.890 30 10 HDEE C#Cc1ccc(CNS(=O)(=O)c2ccc(CNS(=O)(=O)CCC)cc2)cc1 1664046509 YWTICGQQWDHLFG-UHFFFAOYSA-N 406.529 1.976 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)CC1 1670537753 YJZZNSWDTUUROH-UHFFFAOYSA-N 402.451 1.565 30 10 HDEE CC[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(OC)c(OC)c1 1682421665 NWINERQLDSXIPF-QMTMVMCOSA-N 407.492 1.735 30 10 HDEE C=CCCSCCNC(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 1686988472 PDGLQXIHYDTIIM-UHFFFAOYSA-N 412.581 1.736 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1689885689 RFCJBNGJWYOVPR-IBGZPJMESA-N 400.508 1.554 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1c(CC)noc1C)[C@H]1CCS(=O)(=O)C1 1689997321 ZYGGRWPHRBMMMA-HNNXBMFYSA-N 421.523 1.348 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc3ccccc3n2)n1CCn1cncn1 1690098466 JZXWUHZOTCXNKR-UHFFFAOYSA-N 402.462 1.871 30 10 HDEE C=CCCOCCn1c([C@H]2CCC(=O)N2)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1690507791 WWQWAMJYDDFNCM-IERDGZPVSA-N 419.526 1.596 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@]1(O)CCOC1 1690526726 CTLJJLWRLCZTLH-FOIQADDNSA-N 423.514 1.360 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc3c(c2)OCO3)n1C[C@@]1(O)CCO[C@H]1C 1690615647 NDIKQXBJWADXCM-BTYIYWSLSA-N 416.478 1.853 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC2(CC2)C1 1690714530 NZUVPHILOUDPCT-UHFFFAOYSA-N 407.540 1.495 30 10 HDEE CC(=O)NCCCn1c(C(=O)NC(C)C)nnc1N(Cc1ccc(C#N)cc1)C1CC1 1690965837 MHDGECYQIVUHOH-UHFFFAOYSA-N 423.521 1.983 30 10 HDEE CCn1cc(Cn2c(-c3cccc([N+](=O)[O-])c3)nnc2N2CCO[C@@H](C#N)C2)cn1 1695785440 AUEIFDCAESWWRL-KRWDZBQOSA-N 408.422 1.847 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2Cc2nc(C)cs2)CCO1 1696964246 HQZJDSAWXFVSPV-INIZCTEOSA-N 423.502 1.581 30 10 HDEE COCCN1C[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(C)[C@H]2CCOC2)CC1=O 1698076442 LYCDRLYDOUTJBV-HKUYNNGSSA-N 424.505 1.537 30 10 HDEE N#Cc1cc2c(nc1O)CCN(c1nnc([C@@H]3CCCOC3)n1CCCCCO)C2 1698486439 YFXAHJVCJGHGCN-OAHLLOKOSA-N 412.494 1.870 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCOCC3)n2CCN2CCSCC2)cc1 1698488116 CSQCRPYSZCPONT-UHFFFAOYSA-N 414.535 1.614 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1conc1COC 1705551448 AMQRCGKUVBCQON-UHFFFAOYSA-N 422.493 1.704 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H](C(C)C)N2CCCC2)CC1 1705631820 AECIOSOMVUULDH-IBGZPJMESA-N 415.586 1.292 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccn1 1705651597 CHVIRDNWYFWBPB-CQSZACIVSA-N 408.553 1.286 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](C(=O)OC)C1 1705693803 KPKWVDADMBYPNX-ULQDDVLXSA-N 417.510 1.495 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnccn2)n1CC1(O)CCN(C(C)C)CC1 1705883611 OJEWSMGUMCAJAZ-UHFFFAOYSA-N 415.542 1.609 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCn2cnnn2)C1 1705924415 WKYPZCMOYBMYCX-GOSISDBHSA-N 412.473 1.866 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)O[C@H](C)C1 1705934099 BDPTXIWPVCDSER-HZPDHXFCSA-N 405.524 1.863 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(C(N)=O)CCCC2)CC1 1705988869 BZLXRQXLPPESOU-UHFFFAOYSA-N 421.505 1.531 30 10 HDEE CC(C)NC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1706647197 YLVGVZDEBLBLTC-UHFFFAOYSA-N 413.482 1.660 30 10 HDEE CC(C)Oc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1706682602 ARTDHAKWUAAYFA-QZTJIDSGSA-N 410.478 1.793 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC([C@@H]2CCCO2)CC1 1722333490 WLDCNVLTMWPBIJ-MSOLQXFVSA-N 406.552 1.989 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(CN2CCOCC2)c1 1722352761 KUOHWTKCJMWBPH-IBGZPJMESA-N 408.506 1.179 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCn1cc(C)cn1)[C@@H]1CCS(=O)(=O)C1 1722362904 CYSMVGCSLGSUBQ-IAGOWNOFSA-N 404.540 1.623 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCOC(F)(F)F 1722389207 FLDLUSZFQIHWSY-CYBMUJFWSA-N 421.445 1.278 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCO[C@@H](C)C1 1722449925 VLNBZSPLGGZGKQ-HOTGVXAUSA-N 415.494 1.907 30 10 HDEE C=CCn1c(N2CCO[C@](C)(c3cnn(C)c3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1722691028 OURSMGKBHPJCDW-LEWJYISDSA-N 416.526 1.990 30 10 HDEE C=CCSCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1722742911 KNBCKOLZORUEDE-HXUWFJFHSA-N 415.567 1.775 30 10 HDEE Cc1ccc(Cn2c(Cc3ccsc3)nnc2N2CCO[C@@H](C#N)C2)c(=O)n1C 1724365075 IUBDCIAMTHVGRL-KRWDZBQOSA-N 410.503 1.715 30 10 HDEE CCC(CC)(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C#N)C1)OC 1727147040 ASDLQPAWHKRZPU-CABCVRRESA-N 411.528 1.114 30 10 HDEE CCOc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(C)(C)O)cc1OC 1728857650 GJIPCGYLNJERBV-OAHLLOKOSA-N 401.467 1.852 30 10 HDEE CN(C)CCOCCn1c(Cc2ccccc2F)nnc1N1CCO[C@@H](C#N)C1 1729341749 VZIGUUDCUGSDDL-KRWDZBQOSA-N 402.474 1.315 30 10 HDEE CN(CCCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)CC(F)(F)F 1729524857 WJUBDGDQDDVZSB-CABCVRRESA-N 416.448 1.785 30 10 HDEE COc1cc(CCn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)ccc1C 1729975562 GKWNOKKJHRYAQW-KRWDZBQOSA-N 412.494 1.705 30 10 HDEE COc1cc2c(cc1C)CN(c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O)CC2 1730026792 RUHWARNNYPRBSN-QZQOTICOSA-N 422.489 1.993 30 10 HDEE CO[C@H]1CCCN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1730372042 DCXPHRUDYGWIKI-IJYGLTAASA-N 402.499 1.618 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)CCO1 1730596575 XEFHGMTZEUHIRA-GHTZIAJQSA-N 413.478 1.474 30 10 HDEE COCCO[C@H](C)c1nnc(N(C)[C@H](C)CC#N)n1C[C@H]1CCCN(C(C)=O)C1 1730818038 HTTTYINHGGEUJR-NUJGCVRESA-N 406.531 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCSC1(C)C 1740648692 JXMYHZVPKMOVKF-JKSUJKDBSA-N 423.608 1.883 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCCCN2CCCC2)CC1 1740696284 PTQQSPMXLYLSKM-HXUWFJFHSA-N 400.571 1.803 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2Cc2cnn(C)c2)CC1 1740702224 XPLMGEAHCCDSAM-UHFFFAOYSA-N 407.478 1.594 30 10 HDEE C=CCN(CCOC)c1nnc(C(C)C)n1CCN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1740936606 BSWJCDUTTBPQKF-XLAORIBOSA-N 413.522 1.847 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1740995226 DUEMFPVFWHPLOV-HNAYVOBHSA-N 409.556 1.720 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CC(F)(F)F)CC2)c1C#N 1742669497 OTFXSAZRHSAOJO-CQSZACIVSA-N 424.431 1.932 30 10 HDEE C[C@H]1[C@H](C)CCN1c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1743142765 GCEAGPQZHDJABR-CABCVRRESA-N 402.524 1.991 30 10 HDEE CCOCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1C[C@H](F)COC 1747205361 JRLJHHVGPMDJIE-IBGZPJMESA-N 416.501 1.993 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1OCCOC 1748888053 MWFSYROMGVXNSO-LJQANCHMSA-N 421.501 1.766 30 10 HDEE C#CCN(CC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCOC[C@@H]1OC 1748935583 YGDLIXBIRCSIRK-CVEARBPZSA-N 417.535 1.781 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN(C)c2ccccc2)CC1 1748990273 GMNXTLWLEAWLLJ-FQEVSTJZSA-N 421.549 1.511 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCC[C@H](O)C2)CC1 1749019159 NAVHKRGSQSHBSZ-YTQUADARSA-N 415.538 1.647 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCCC2=O)C1 1749039639 XWCDYFRETGMWKQ-IRXDYDNUSA-N 403.552 1.740 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(=O)(=O)CC 1749126310 AUNMPSIAQYJMGX-WBVHZDCISA-N 420.539 1.587 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCOCC1 1749143905 OFOMCQWYRMIHFV-JKSUJKDBSA-N 414.576 1.011 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCc2cccc(C(=O)NC)c2)CC1 1749298857 VJOVLQQSSQSJDV-GOSISDBHSA-N 408.506 1.988 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1749363501 FLKPSMRHUJYIOM-HUUCEWRRSA-N 409.556 1.845 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1749609397 MZMMNLLASNOOAP-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](c2ccco2)C1 1749670124 ROGSCQRQWDHTCT-WBVHZDCISA-N 401.467 1.645 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(C)C)nnc1N1CCN(c2ccc(F)cn2)CC1 1749722026 ZIWIPSIVFZAKJQ-UHFFFAOYSA-N 422.530 1.863 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC2CC2)CC1 1749729709 OWHBHOCGFJVAOO-UHFFFAOYSA-N 416.551 1.473 30 10 HDEE CC(C)C(=O)NCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1750572410 GSJSSFUNLVQRCH-HKUYNNGSSA-N 424.505 1.869 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccccc2F)n1CCOCCS(C)(=O)=O 1751092048 WOJODLVJNLDQKB-AWEZNQCLSA-N 409.487 1.884 30 10 HDEE C#CCN(C)c1nnc(-c2c[nH]c3ccccc23)n1CCS(=O)(=O)NC(C)C 1760170506 FTALBWNLSSSROK-UHFFFAOYSA-N 400.508 1.824 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)c(OC)c2)n1CC1(O)CCOCC1 1760198619 FXBYHKQLKAGSTL-UHFFFAOYSA-N 410.474 1.577 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@]1(O)CCOC1 1760200460 JPOZBJMOLWTJBJ-JOCHJYFZSA-N 402.458 1.355 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C(C)C)CC1 1760234597 YWHYNACZZWBOCA-INIZCTEOSA-N 409.556 1.507 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)CC 1760241449 ZXQOMVUXOKILKU-KRWDZBQOSA-N 412.469 1.486 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCC(=O)NC2CCCCC2)CC1 1760259362 LEHBSMSROGLVFW-GOSISDBHSA-N 414.554 1.376 30 10 HDEE C=CCn1c(N2CC[C@@H](NC(=O)NC3CC3)C2)nnc1[C@]1(OC(C)C)CCOC1 1760513142 LXLOZPUSNLILSI-UZLBHIALSA-N 404.515 1.545 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@H]1CCOC1 1760526566 PXIZNMSQPATDLQ-CQSZACIVSA-N 418.523 1.045 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CC(F)C2)nnc1[C@]1(OC(C)C)CCOC1 1760527777 INAOYMQGDFGOLD-PMTKGXAQSA-N 409.506 1.805 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CCOC(C)(C)C 1767389703 MSWFBBMSPIRYRX-UHFFFAOYSA-N 420.539 1.617 30 10 HDEE COC[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1)OC 1770768502 KAGJJDSDNBVLGU-YDZRNGNQSA-N 424.505 1.634 30 10 HDEE CC(C)[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCO[C@@H](C#N)C1 1851070325 TYZCMPQTUSBNRW-ZFWWWQNUSA-N 419.425 1.759 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)c3cn4cc(Br)ccc4n3)CC2)n1 1851255643 GXLOOVIILQSZNJ-UHFFFAOYSA-N 412.251 1.721 30 10 HDEE CS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(c2ncccc2C#N)CC1 1852469510 AOABVIICUZWVNV-IBGZPJMESA-N 412.515 1.820 30 10 HDEE COc1ccc2c(C(=O)N3CCN(c4nccc(C#N)n4)CC3)cc(OC)nc2n1 1852572155 GPCCBIXCPACUNU-UHFFFAOYSA-N 405.418 1.271 30 10 HDEE COCC(=NOCC(=O)N1CCCCCC1)NS(=O)(=O)c1ccc(C)cc1C 1853453476 FUJHHCRGEMOWQU-UHFFFAOYSA-N 411.524 1.961 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)C4CC5(COC5)C4)C(=O)C3)C2)cc1 1854167357 FYJLUFVDHIYHPN-HXUWFJFHSA-N 408.502 1.230 30 10 HDEE C=CCN([C@H]1CCN(C(=O)c2cc(-c3cccs3)on2)C1=O)[C@@H]1CCN(C)C1=O 1854179830 YMSCBQDDSNAYGV-CABCVRRESA-N 414.487 1.863 30 10 HDEE C=CCN1C[C@H](C(=O)N2C(=O)CN(S(=O)(=O)CCCC)c3ccccc32)CC1=O 1854791112 BUMOXSBLTSEQHW-OAHLLOKOSA-N 419.503 1.531 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1Cc1cc(=O)n2ccccc2n1 1854917595 WCICRHQYIQHICZ-OAHLLOKOSA-N 401.426 1.439 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccccc2)CCN1S(=O)(=O)c1ccccc1C#N 1855736155 ZBYURECQQBCHGX-INIZCTEOSA-N 411.483 1.939 30 10 HDEE Cc1nnc(CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)[C@H]2C)n1C 1855864009 OTQCIEGAFGOVQZ-GFCCVEGCSA-N 400.870 1.716 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C3CCN(CCn4ccnn4)CC3)CC2=O)cc1C#N 1856009150 UIIPRGVKUXCUIJ-FQEVSTJZSA-N 406.490 1.859 30 10 HDEE CC1(C)C(=O)N(C(=O)CCc2ccc(F)cc2Cl)CCN1S(=O)(=O)CC#N 1856025759 MMKWEHMZYZMIFW-UHFFFAOYSA-N 415.874 1.714 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)C2CCN(S(=O)(=O)C3CC3)CC2)C1 1856267574 XHYRCQBQGXUMLS-INIZCTEOSA-N 409.552 1.240 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N3CCN(c4ncccc4C#N)CC3)C2=O)cc1 1857067237 XHCDZXIDVJGFDX-LJQANCHMSA-N 405.458 1.525 30 10 HDEE C[C@@H](Oc1ccccc1)C(=O)N1CC[C@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1857112260 VBQSDKVINXZVAM-BEFAXECRSA-N 406.442 1.611 30 10 HDEE N#Cc1cccc(OCC2CCN(C[C@@H]3CC(=O)N(C(=O)C4CC(=O)C4)C3)CC2)n1 1857124032 VWOOBQVNHGZPHB-INIZCTEOSA-N 410.474 1.398 30 10 HDEE N#CCCCN1CC[C@H](N2CCN(C(=O)c3csc4c3CCOC4)C(=O)C2)C1 1857164590 NCPCEVQBRCOZKP-HNNXBMFYSA-N 402.520 1.483 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)CCS(=O)(=O)c3ccc(F)cc3)C2=O)CC1 1857305609 IAQOYDNFKHJAOV-QGZVFWFLSA-N 407.467 1.353 30 10 HDEE N#Cc1cc(C(=O)N2C[C@@H](CN3CC(F)(F)OC(F)(F)C3)CCC2=O)ccn1 1857322607 GTLXBNHNUFHMQV-LLVKDONJSA-N 400.332 1.850 30 10 HDEE C=CCn1cc(OCC(=O)NCCc2ccc(OC)c(OC)c2)c(=O)cc1C(=O)O 1857890191 LWMPRJZXCNFPHG-UHFFFAOYSA-N 416.430 1.487 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)c2ccc(F)c(F)c2)cc1 1858963883 HNOPWDIMFAUONO-UHFFFAOYSA-N 408.382 1.943 30 10 HDEE COc1cc(/C=N/NC(=S)NN2CCN(C)CC2)cc(Br)c1O 1860498046 MEVCZISTRRBNMR-CXUHLZMHSA-N 402.318 1.124 30 10 HDEE C[C@@H]1CN(C(=O)CNC(=O)C2CCN([C@@H](C#N)c3cccs3)CC2)C[C@@H](C)O1 1868782919 MSUGAOSCMNCLFS-INMHGKMJSA-N 404.536 1.777 30 10 HDEE C=CCOc1cn(CCCN(CC)CC)c(CN2CCN(C(C)=O)CC2)cc1=O 1870385815 NGDSEGHLWDCQEU-UHFFFAOYSA-N 404.555 1.809 30 10 HDEE CCCNC(=O)CSc1nnc(CCOC)n1/N=C/c1ccc(C(=O)O)cc1 1874471307 XSCTTYNIKVXDKF-RGVLZGJSSA-N 405.480 1.666 30 10 HDEE CN(CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1)c1ncccc1C#N 1890196712 CJENPZYCXHTMGG-UHFFFAOYSA-N 417.469 1.924 30 10 HDEE N#Cc1nccnc1OCC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)CC1 1891322850 LMYQZAXDJSVUSN-UHFFFAOYSA-N 405.414 1.262 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCC[C@H](C#N)C1)C(F)(F)F 2118166183 HWPXMGDTYPPVLY-MNOVXSKESA-N 400.423 1.512 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCNS(=O)(=O)c1cc(Cl)ccc1C#N)C(=O)O 2151771956 XCRAUFWYEDNABB-LBPRGKRZSA-N 417.871 1.858 30 10 HDEE CC(C)(C)OC(=O)NCC1(F)CCN(S(=O)(=O)N2CCC[C@H](C#N)C2)CC1 2174780537 VUYJIVPBKMBUKR-CQSZACIVSA-N 404.508 1.796 30 10 HDEE CC(C)(C)OC(=O)N1CCCN1C(=O)c1ncncc1B1OC(C)(C)C(C)(C)O1 2243425091 DRFJZCFABODMCJ-UHFFFAOYSA-N 404.276 1.774 30 10 HDEE Cn1nc(C(=O)NC[C@@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1B1OC(C)(C)C(C)(C)O1 2247823596 QBSZDPVLFARZCI-STQMWFEESA-N 420.319 1.362 30 10 HDEE C[C@H](CNC(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)N(C)Cc1ccccc1 2247844403 BGYFRYUFTCILPC-MRXNPFEDSA-N 412.343 1.970 30 10 HDEE Cn1[nH]c(CNC(=O)OC(C)(C)C)nc1=NC(=O)[C@H]1C[C@H]1B1OC(C)(C)C(C)(C)O1 2247937196 JNZMRHGRXMLWNH-NWDGAFQWSA-N 421.307 1.683 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCC[C@H]2C2OCCO2)OC1(C)C 2255750256 HDZKCBGJOHUWCT-ZDUSSCGKSA-N 415.342 1.573 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCN(Cc3ccccc3)C2)nc1B1OC(C)(C)C(C)(C)O1 2255822016 IXZIKGPFSZDJRV-SFHVURJKSA-N 424.354 1.971 30 10 HDEE C#CC[C@H]1CCCN(S(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2270485306 NVXZTGNKARJUEJ-WMZOPIPTSA-N 422.503 1.520 30 10 HDEE Cn1nncc1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304828 PUAOOZRLYGDHFP-UHFFFAOYSA-N 418.737 1.308 30 10 HDEE CC1(C)CNC[C@H]1NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308384 QOTNEMZLHJWSNV-LLVKDONJSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCCC[C@@H]3N)s2)OC1(C)C 2282328885 DVNBLYHFCBTFMK-QWHCGFSZSA-N 400.375 1.986 30 10 HDEE CCN([C@@H]1CCCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282332610 DNIGWPAAIZLDOV-CQSZACIVSA-N 400.375 1.810 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H](C)N1C 2282340982 MCJQBKPGYKFXMS-BETUJISGSA-N 400.375 1.760 30 10 HDEE CN(C)CC1(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CCC1 2282350124 IYSSXVXLRXBKIA-UHFFFAOYSA-N 400.375 1.810 30 10 HDEE CC1(C)CC[C@H](N)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282420468 ZMWYLHYGWMNVAC-LBPRGKRZSA-N 400.375 1.938 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NC[C@@H]3CC[C@@H]3O)ccc2Cl)OC1(C)C 2282506073 MVPHFQBWOJUIOX-NHYWBVRUSA-N 401.721 1.688 30 10 HDEE CCNS(=O)(=O)CCNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2282641911 GOSHTKYBXMJTCO-UHFFFAOYSA-N 422.765 1.370 30 10 HDEE CNCCOCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282830891 BIEPSMTXCRWUOC-UHFFFAOYSA-N 424.781 1.215 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@]3(F)C[C@H](CO)C3)c2)OC1(C)C 2282849415 BAZWMUYCZFZQOZ-SXUIPJSXSA-N 405.322 1.436 30 10 HDEE CCOC(=O)C1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282855665 IAJZJOGDNUZIDW-UHFFFAOYSA-N 401.315 1.231 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2C[C@H](CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282871279 DMRQOWNJRMBRIX-JOCQHMNTSA-N 401.359 1.713 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2CCCC[C@@H]2C(=O)O)OC1(C)C 2284393909 RCZGFEHOXWEJEP-GFCCVEGCSA-N 401.315 1.675 30 10 HDEE CC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284402393 NLNWMRILVQFULE-LBPRGKRZSA-N 403.693 1.781 30 10 HDEE COCCN(CC(=O)O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2284430350 SILVGOPRKOIGPG-UHFFFAOYSA-N 403.693 1.874 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C)CN(S(=O)(=O)N2CCC[C@@H](C#N)C2)CC1(F)F 2361790183 KMSAAIHLQOGSSG-SWLSCSKDSA-N 408.471 1.701 30 10 HDEE CC[C@]1(C)[C@H](O)CCN1S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2361992814 UGQOZSUJRSTKAA-CXAGYDPISA-N 401.359 1.971 30 10 HDEE Cn1nc(Br)c(Br)c1C(=O)N1C[C@@H]2CCO[C@]2(C#N)C1 2364019605 ORMUIQKVHPDSMX-JVXZTZIISA-N 404.062 1.700 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792078 LIOHAVYCIHZGDA-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1COCC(C)(C)N1C(=O)OC(C)(C)C 2367792261 MZBGURVLRAAVTC-CABCVRRESA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@@H](CNC(=O)OC(C)(C)C)C(C)C 2367822649 WWXAWAFGEAXKFJ-ARFHVFGLSA-N 402.557 1.313 30 10 HDEE C=C(CS(=O)(=O)N1CC[C@H](S(=O)(=O)C(F)F)C1)B1OC(C)(C)C(C)(C)O1 2368590491 HNRPJIPRRULPKS-NSHDSACASA-N 415.289 1.216 30 10 HDEE C=C(CCNC(=O)OC(C)(C)C)CN[C@](C)(C[C@H]1CCCS1(=O)=O)C(=O)O 2377814709 HIJFXLWPHUDDGE-RDTXWAMCSA-N 404.529 1.858 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c1 17853917 HBVQHIOKCAKFHM-ZDUSSCGKSA-N 423.516 1.289 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2ccccc2Br)CC1 23265872 DRTLBEVZNWDOFW-UHFFFAOYSA-N 423.355 1.327 30 10 HDEE N#C[C@@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1cccs1 101442796 VNVDDIWAOUOLSS-AAEUAGOBSA-N 413.459 1.398 30 10 HDEE C=CC/N=C(\SCC(=O)O)N1CCN(/C(=N\CC=C)SCC(=O)O)CC1 101655702 DWUJQQUZVUVTGH-JRDMOELTSA-N 400.526 1.324 30 10 HDEE C=CCc1c(O)nc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc1O 104905820 QRWRNIMKDDUFQI-LBPRGKRZSA-N 402.388 1.949 30 10 HDEE Cc1ccc(O)c[n+]1/C(C(=O)c1cc(F)ccc1F)=C(/S)NCC(=O)N(C)C 139908925 UYPYRYRAIBMHNM-UHFFFAOYSA-O 408.450 1.883 30 10 HDEE CO[C@@H](C)c1nc(CN2CCCN(C(=O)[C@H](C)n3cnc(C#N)n3)CC2)cs1 409804946 IBMUZCJLEIKXKW-KBPBESRZSA-N 403.512 1.609 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@H](CO)c3ccccc3)C2=O)cc1 426904014 UZHVDFHTEMAKTL-IEBWSBKVSA-N 406.442 1.656 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](CO)c3ccccc3)C2=O)cc1 426904016 UZHVDFHTEMAKTL-PKOBYXMFSA-N 406.442 1.656 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2)CC1 431753715 WEDFFOORTQINRT-QGZVFWFLSA-N 405.930 1.548 30 10 HDEE C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCCC2)N1CCC[C@@]2(C1)NC(=O)NC2=O 434798228 YJMNKJHVGOOEGW-YUNKPMOVSA-N 415.519 1.890 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)NCCOc2ccc(C#N)cc2)C1 440030452 SWCGRMSDQHGVSD-QGZVFWFLSA-N 416.478 1.380 30 10 HDEE Cn1cc(S(=O)(=O)NCC2CCC(C#N)CC2)cc1C(=O)NCC(F)(F)F 443222039 DAOHSZKLNLQORG-UHFFFAOYSA-N 406.430 1.925 30 10 HDEE N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@]3(CCOC3)C2)CC1 469526266 ZDRLCUYLRNTIAR-CTNGQTDRSA-N 402.470 1.026 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC(C)(C)O[C@]2(CCOC2)C1 478414088 FIRCODIMQGOELE-IFXJQAMLSA-N 407.492 1.022 30 10 HDEE CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)c1 485995447 DOROSNGCFWODGS-LJQANCHMSA-N 411.483 1.883 30 10 HDEE COC(=O)C[C@H](NS(=O)(=O)c1cnc(C)c(C#N)c1)c1ccc(OC)c(OC)c1 489044701 DEICMUSIGHQCLA-INIZCTEOSA-N 419.459 1.862 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](C(=O)NCC(F)(F)F)C3)cc2C1=O 490899527 JWEWIRUJVHYJHQ-GFCCVEGCSA-N 409.364 1.609 30 10 HDEE C=CCOc1ccccc1CN1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 509387785 PFSSCWNJGMCONR-QZTJIDSGSA-N 409.552 1.723 30 10 HDEE CCOC(=O)c1cnn(C2CCN(S(=O)(=O)c3cccnc3C#N)CC2)c1C 509575610 PQZYSWBVNVMRFR-UHFFFAOYSA-N 403.464 1.661 30 10 HDEE CCOc1cccc(C=c2sc(=C(C#N)C(=O)NC)n(Cc3ccccc3)c2=O)n1 532419052 IJJJSZBIZOFSTQ-UHFFFAOYSA-N 420.494 1.001 30 10 HDEE CO[C@@H]1[C@H](C)[C@@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)C1(C)C 539404285 FSFJWVTVYZXECI-ZTFGCOKTSA-N 420.535 1.634 30 10 HDEE N#Cc1ccc(Oc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)cc1 544492338 DLGHCNHXALHPGL-SFHVURJKSA-N 406.442 1.832 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(COCC)n2Cc2cccs2)CC1 549465976 ZCQAHUTYTMDJJG-UHFFFAOYSA-N 404.540 1.349 30 10 HDEE C=C[C@@](C)(CCOC)C(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1 552629384 IGIAFJCALOSGTD-JTSKRJEESA-N 417.554 1.178 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)N[C@H]1CCN(S(=O)(=O)c2ccccc2)C1 553572146 VWLRAYRJOARUMM-INIZCTEOSA-N 405.501 1.608 30 10 HDEE CC(C)OCCS(=O)(=O)N1CCN(C(=O)C2(c3cc(F)cc(C#N)c3)CC2)CC1 556895544 PBGGNBZZIPVSKM-UHFFFAOYSA-N 423.510 1.628 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2cn(CCCC#N)c3ccccc23)C1 558040011 KJTZOBVGZPNTOK-MRXNPFEDSA-N 417.535 1.946 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](CC)CC#N 565942800 DTUOGLFHBROUER-OAHLLOKOSA-N 408.524 1.443 30 10 HDEE CC(=O)N1CCN(CCOc2ccc(CCNc3cc(C#N)cc(C)n3)cc2)CC1 587846654 SITZUJDXWUYEGD-UHFFFAOYSA-N 407.518 2.459 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccccc2OC)c(=O)n1-c1ccc(F)cc1 603923446 DHKVYTGLSBFUGT-UHFFFAOYSA-N 409.442 1.296 30 10 HDEE COc1ccc(CN2CC[C@H](NC(=O)c3cc(C#N)c(SC)nc3O)C2=O)cc1 609681403 GPXQIVVALYJNSG-INIZCTEOSA-N 412.471 1.920 30 10 HDEE CCCCN(C(=O)Cn1c(C)nnc1-c1cccc(C#N)c1)[C@@H]1CCS(=O)(=O)C1 610035500 DLPDHZOGLPLVAH-GOSISDBHSA-N 415.519 1.941 30 10 HDEE CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1cc(C)n(-c2ccc(C#N)cc2)c1C 732072735 AGXDUUFVXGSZTL-IBGZPJMESA-N 407.474 1.433 30 10 HDEE N#C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)CCN1C1CC1 732650778 GEKHHRPVIUBJDO-LJQANCHMSA-N 416.547 1.602 30 10 HDEE CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 733676288 UYGZPKIBKQKLLU-MRXNPFEDSA-N 413.521 1.099 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 734291325 NLTSLRRQMTYQNM-AWEZNQCLSA-N 401.419 1.864 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN1C(=O)OCC(F)(F)F 734292744 UBWDZXWGGHSJGD-LBPRGKRZSA-N 419.381 1.835 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccc(COC)c2)c1=O 743725030 ANWDZTSGFQLDNL-UHFFFAOYSA-N 412.511 1.575 30 10 HDEE N#Cc1ccccc1OCCOC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 746744184 LNAZAYKZKNSELT-OAQYLSRUSA-N 419.437 1.956 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 754022372 NCPFJGLAJSQTGD-AWEZNQCLSA-N 423.491 1.915 30 10 HDEE C#CCN(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCC1 756911759 VWAMZSWMCIXJRD-UHFFFAOYSA-N 405.520 1.524 30 10 HDEE C=CCNC(=O)NC(=O)COC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1 758997874 PYPOGERATTUZPY-SNVBAGLBSA-N 400.357 1.464 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)O)cc1 767162659 YDPGNXMPYJBRLU-MRXNPFEDSA-N 418.446 1.411 30 10 HDEE N#CC(C(=O)c1ccccc1)=c1sc(=Cc2cncs2)c(=O)n1C[C@@H]1CCCO1 767871861 JCGMIXSMRIBRIY-HNNXBMFYSA-N 423.519 1.931 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)N(c2ccc(F)cc2)[C@H]2C=CS(=O)(=O)C2)cn1 770026550 VNYYATRCNSCILB-KRWDZBQOSA-N 415.402 1.593 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@@](C)(O)c2ccccc2C(F)(F)F)CC1 773931048 HVOUEOSYZJWMLA-IBGZPJMESA-N 411.424 1.197 30 10 HDEE COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 775367771 CEUDOVOBXPCDLQ-ZBFHGGJFSA-N 422.507 1.394 30 10 HDEE N#Cc1ccc(NCCNS(=O)(=O)c2ccc(NC(=O)c3ccncc3)cc2)nc1 782457794 MJJCUIKYFHVTMM-UHFFFAOYSA-N 422.470 1.991 30 10 HDEE C#CCn1ccc(CN(CCOC)CN2C(=O)N[C@]3(CCc4ccccc4C3)C2=O)n1 788366399 OJLHJADZEQSWBY-QHCPKHFHSA-N 421.501 1.402 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc([C@H](C)NC(C)=O)s2)n1 788695214 HCXJFZGHFJDTSK-AWEZNQCLSA-N 424.548 1.612 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)n1 788820557 XAZIZAWTSDABJG-UHFFFAOYSA-N 422.507 1.475 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)cc1 788840439 FUSOQAFBXLIZOC-UHFFFAOYSA-N 415.471 1.737 30 10 HDEE C#C[C@H](NC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O)c1ccc(F)cc1 794893122 AMICTYADOLLPRQ-ZOCIIQOWSA-N 404.463 1.653 30 10 HDEE Cc1cc(OS(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)c(C)c(C)c1C#N 796195403 XITQQTROTLFJFR-UHFFFAOYSA-N 400.522 1.864 30 10 HDEE COC[C@H](C)NC(=S)NN=C(C)c1ccc(Br)c(S(N)(=O)=O)c1 797400236 SPKOKYBQUZMBPA-QMMMGPOBSA-N 423.358 1.320 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)c3cn(CCO)nc3C3CCOCC3)CCO2)c1 856668977 VAOZZQDBCIXHAY-FQEVSTJZSA-N 410.474 1.855 30 10 HDEE Cc1ccc(O[C@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)nc1 858042248 NQIJEQRGNMFJMY-KRWDZBQOSA-N 410.478 1.360 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1 917925487 HJPTYEGOGMMEDI-OAHLLOKOSA-N 412.533 1.482 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccccc2OCC2CC2)c(=O)n1C[C@@H]1CCCO1 920394160 HLQOKHFWEHGTHP-SFHVURJKSA-N 407.495 1.904 30 10 HDEE CC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCN2C)cc1 921018937 CJPDVMOAHNUPQW-YGMPWRRSSA-N 410.521 1.359 30 10 HDEE N#Cc1ccccc1NC(=O)CSc1nnc(NN=Cc2cccc(O)c2)n1N 1084391419 JGMBGTGZKDVNOK-UHFFFAOYSA-N 408.447 1.746 30 10 HDEE COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1136394691 QDXFCECXTMHILK-SFHVURJKSA-N 416.430 1.863 30 10 HDEE COCCNS(=O)(=O)c1cc(NC(=O)c2ccc(C=NOC)cc2)ccc1OC 1139726691 AODZZKATSKXEMP-UHFFFAOYSA-N 421.475 1.853 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@H](c2cnn(C)c2)c2noc(C)n2)c1 1141503659 WCNKAGWYWJTICC-QGZVFWFLSA-N 413.459 1.428 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)[C@@H](O)C1 1152295503 KXHZOABQAXBFGW-WMZOPIPTSA-N 411.462 1.844 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@@]2(C(=O)OC(C)(C)C)CCCO2)C1 1153859136 MSKBIHBMXWPGRN-PJSUUKDQSA-N 409.483 1.753 30 10 HDEE C#C[C@@H](NC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OCC)C1CCOCC1 1215452672 UJROGSYUXJZBCF-MRXNPFEDSA-N 409.508 1.886 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)NCc3cccc(C(=O)NC4CC4)c3)CC2)cn1 1221490344 AJODPUCJUJUVRY-UHFFFAOYSA-N 404.474 1.877 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCC[C@@H]3CCCS3(=O)=O)C2=O)cc1 1226112844 SJMQRQBNPBUKQZ-DLBZAZTESA-N 404.492 1.320 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCC[C@H](N3CCOCC3)CC2)C1 1233850742 DCKFNPMBGRJPHK-BZSNNMDCSA-N 421.542 1.642 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)CC2(C#N)CCOCC2)CC1 1264289996 OIKAUKBOXGQGQZ-UHFFFAOYSA-N 410.496 1.225 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(=O)n(C)cc1Br 1266190692 GEWWMDSMVRDLIL-NSHDSACASA-N 417.267 1.160 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1nc(C(C)(C)C)cs1 1286360442 GXKUSIBBHMMCCU-LBPRGKRZSA-N 410.569 1.760 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1F 1286361480 PPJBYIZTINECAR-NSHDSACASA-N 415.441 1.618 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(OC(F)F)c2)n1CCS(=O)(=O)N(C)C 1286364923 NYHVFLUGVAMEAY-UHFFFAOYSA-N 413.450 1.507 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1Cc1cnn(CCOC)c1 1286435509 BIYWXPVSKPKROC-UHFFFAOYSA-N 408.466 1.276 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C(N)=O)nc2)CC1 1286653349 VJTNCRJQPSANJP-UHFFFAOYSA-N 409.494 1.459 30 10 HDEE C=CCCCCn1c(-c2cccc(C)n2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1286686206 CSSUBSXNTIMQAA-INIZCTEOSA-N 409.494 1.152 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CC(N)=O)CC1 1286825617 UDRUJNOQRPTADC-UHFFFAOYSA-N 406.556 1.525 30 10 HDEE CO[C@@H]1CC[C@@H](C)N(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1287763647 VEYSPKFIUNRHGS-CRAIPNDOSA-N 405.520 1.985 30 10 HDEE CC(C)(C)C(=O)NCC(=O)OCCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 1290343659 RMWCMUWDYPOICQ-GOSISDBHSA-N 414.506 1.491 30 10 HDEE Cc1nc(Cc2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](C)N2CCOCC2)cs1 1290388772 XJVQQWCNIJOSKI-LSDHHAIUSA-N 403.556 1.950 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)COc2ccc(Br)cn2)CC1 1290434783 TYJGMHRFBASCHS-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE CN(c1nnc([C@@H]2CCCCO2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1298155977 NVNMONZDHZBMEQ-BBRMVZONSA-N 405.480 1.656 30 10 HDEE C#CC[C@H](NC(=O)c1cnn2cc(CCNC(=O)OC(C)(C)C)cnc12)C(=O)OC 1299177547 BWZQQBPRCYZJAY-HNNXBMFYSA-N 415.450 1.091 30 10 HDEE C=CC[C@@H](Cc1ccccc1)NC(=O)Cn1c(=O)oc2cc(S(N)(=O)=O)ccc21 1299258247 DAPTYWAAVYQVPP-HNNXBMFYSA-N 415.471 1.546 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C 1300219243 BRSPOMONFXKQPE-CXAGYDPISA-N 414.487 1.118 30 10 HDEE C#CCCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1300422259 JBMFXQLRKSJPSK-MJGOQNOKSA-N 404.474 1.857 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CC1(O)CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300480179 YYWQDUOADXBNLQ-MRXNPFEDSA-N 408.568 1.898 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1300497370 AWRIKAROQBZNRL-PXNSSMCTSA-N 417.535 1.052 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1C 1300557254 RLAJLNRUVKCSFC-GOSISDBHSA-N 413.547 1.902 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCN1CCCC[C@H]1CC 1300648647 HQQIVDGJUPLYJO-LJQANCHMSA-N 416.570 1.865 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(COC)cc1 1300649593 NTEPPDWGCVIZCL-UHFFFAOYSA-N 411.506 1.795 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 1300697470 CQJLINLQTGJLQJ-UHFFFAOYSA-N 422.533 1.739 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@]2(CCCOC2)C1 1300761370 BUHCAZPNEVKFND-VQIMIIECSA-N 424.592 1.554 30 10 HDEE C=CCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCO[C@H](C(=O)NC)C1 1301208985 IAXRBNWHAJNCGL-SFHVURJKSA-N 415.494 1.880 30 10 HDEE CC(=O)NC1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2COCCO2)CC1 1301835841 BCSYVZWETMTHSD-LJQANCHMSA-N 410.478 1.337 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CC1(S(C)(=O)=O)CCC1 1301973434 GCTBMUAJSNSGJZ-OAHLLOKOSA-N 402.524 1.827 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2OC)C1 1303556412 GQDUMWZZJUXYSN-INIZCTEOSA-N 407.536 1.553 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCCCC1 1303833122 DSDQEMZGVXUYNV-HNNXBMFYSA-N 424.571 1.714 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2)c(F)c1 1304660185 JKJFPMGBJNFWDM-SFTDATJTSA-N 400.498 1.971 30 10 HDEE CC#CC[C@H](CO)NS(=O)(=O)C[C@H]1CCCCN1C(=O)OCc1ccccc1 1309651628 ZXVFNBBCEOCPCS-RTBURBONSA-N 408.520 1.871 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1ccc(C#N)cc1I 1311209688 PUZNBZAEGWXJFF-UHFFFAOYSA-N 419.244 1.885 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)NC[C@@H]1CCC2(CCOCC2)O1 1313360399 CVJQQYDKWADZIY-HOTGVXAUSA-N 400.483 1.297 30 10 HDEE CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1314532869 FFRXGGOERGTUSN-INIZCTEOSA-N 416.507 1.172 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1314939326 LNVOOWKUWMEDEF-JOCHJYFZSA-N 421.505 1.305 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 1316529705 CEMXATVSWCSDMK-HNNXBMFYSA-N 423.445 1.476 30 10 HDEE CC(=O)N1CCC[C@@H](COC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 1357580716 RDMSQJQNJRNDSN-SJLPKXTDSA-N 412.446 1.565 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1358889839 HMPKCKYXNJDCNO-GOEBONIOSA-N 420.510 1.972 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(OC)ccc1OC 1358937732 GEUNPIGPBIPABY-CYBMUJFWSA-N 407.496 1.023 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CCOC(C)C)[C@H]1CCS(=O)(=O)C1 1358958632 SLRRNTACZPSFFW-INIZCTEOSA-N 406.508 1.898 30 10 HDEE C#CCN(c1nnc([C@H]2CCCOC2)n1Cc1cc(C)on1)[C@H]1CCS(=O)(=O)C1 1358962904 YURZCNWFLXFFMN-RDJZCZTQSA-N 419.507 1.144 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccnc2)n1C[C@H](C)CN1CCN(CC)CC1 1358975405 PJRLXXPFKFYDCC-HXUWFJFHSA-N 405.550 1.687 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1359018107 DSLIEEGHSRJIBF-WUKNDPDISA-N 400.483 1.188 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2CCc2cccc(C(N)=O)c2)CC1 1359033814 RISAHGMNQAKEPM-UHFFFAOYSA-N 417.517 1.380 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(C)C)C1 1359133145 MISHPEZJOLZBTQ-DLBZAZTESA-N 412.556 1.634 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCCOC1 1359296664 QHLIDHVRZORAJJ-HNNXBMFYSA-N 413.478 1.839 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359297038 CCVQHFRBEQOTIH-MRXNPFEDSA-N 411.510 1.335 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1359331385 XBFQMEBOKMWYEV-PBHICJAKSA-N 418.523 1.340 30 10 HDEE CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)NCc2cccc(OCC#N)c2)C1=O 1435132096 XVGYTTFJGODGCY-QGZVFWFLSA-N 401.463 1.785 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1439200477 QUULOGXMXVNMJP-JYJNAYRXSA-N 416.540 1.508 30 10 HDEE C=CC(=O)N(C)CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2C)c1 1441731990 CYVDQBQMFMPDIR-HEHNFIMWSA-N 406.508 1.863 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1442511767 BWXNDWUGDNNJQC-IKGGRYGDSA-N 409.527 1.847 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCCC[C@H]2C(=O)OCC)s1 1442603275 QWJNYEBQWXFTOP-AWEZNQCLSA-N 400.522 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](CO)c2c(F)cccc2F)s1 1446705142 HAMVUOSNNRWVMO-AWEZNQCLSA-N 416.471 1.883 30 10 HDEE COCC#CC(=O)N(C)Cc1cccc(Br)c1OCCS(C)(=O)=O 1447845097 ULQNRKFBSYNMQU-UHFFFAOYSA-N 418.309 1.481 30 10 HDEE COC(=O)c1ccn(CCCC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)n1 1448852740 XIYFMUHWCNFODC-KRWDZBQOSA-N 409.446 1.239 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)c1N 1449227367 JCZFSJSALWWJDY-GASCZTMLSA-N 406.446 1.830 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 1449840944 KSNWKZMLTCJSHI-OAHLLOKOSA-N 405.520 1.352 30 10 HDEE COC(=O)[C@@H](Cc1cncs1)NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1 1455474529 RQNXNISKIHNLPU-MRXNPFEDSA-N 421.519 1.994 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC(=O)c1cncs1 1456572838 GWWBZDLLZGSNBF-ZDUSSCGKSA-N 420.516 1.740 30 10 HDEE N#Cc1c2c(n(-c3ccccc3)c1NC(=O)CN1CCC(O)(C(N)=O)CC1)CCCC2 1460097223 GGDHUVADXVWMTP-UHFFFAOYSA-N 421.501 1.478 30 10 HDEE N#CCSCC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1463182335 MDQAPFFTXWJROQ-ZDUSSCGKSA-N 415.256 1.547 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)c1 1463940249 RYTSMWRLJZGUEB-UHFFFAOYSA-N 418.515 1.195 30 10 HDEE CCN1C(=O)[C@H]2CN(C(=O)Cc3ccc(Br)cc3C#N)CCN2C1=O 1465708693 BARXSLAAWGNKTE-CQSZACIVSA-N 405.252 1.358 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)s1 1467914330 AICBVUMBPPFBBK-GJZGRUSLSA-N 400.522 1.161 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCC1(CO)CCC1 1469749396 CSFKVIADHKUGAW-MRXNPFEDSA-N 407.536 1.953 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCC2[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)CC1 1471266964 YIYKUHUCBGKPOI-HUUCEWRRSA-N 406.483 1.588 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cccn2[C@H](C)Cc2ccccc2)CC1 1471451681 WWSUSZDYHGVJBI-GOSISDBHSA-N 414.531 1.517 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cn([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nn2)C1 1471834727 JDUGMGVWVUYLSB-IAGOWNOFSA-N 416.526 1.678 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@H](Nc3ccc(C#N)cn3)C2)c1 1471984300 UBTOBEFADCEWDS-SFHVURJKSA-N 423.498 1.581 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2C[C@]3(CO)CCCC[C@]3(CO)C2)cc1 1472219317 OJDABQDJRBNLBA-OYRHEFFESA-N 420.531 1.751 30 10 HDEE Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1472371942 YWVNAFDAJOZRPD-UHFFFAOYSA-N 412.356 1.290 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2NC(=O)C[C@@H]2c2ccccc2)s1 1472465476 GEZSBUSRRTWZFE-OAHLLOKOSA-N 405.501 1.760 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1 1472907429 CYYSJYYIOQQTCX-JOCHJYFZSA-N 415.409 1.655 30 10 HDEE C=CCn1c(=O)n(CC=C)c(=O)n(Cc2cccc([N+](=O)[O-])c2Br)c1=O 1472955979 LQOVCGCIWWPRGT-UHFFFAOYSA-N 423.223 1.263 30 10 HDEE C#CCN(C(=O)Nc1cccc(Cn2nc(C)nc2C)c1)[C@@H]1CCS(=O)(=O)C1 1476231156 QKAAXQNEBNVFSX-GOSISDBHSA-N 401.492 1.597 30 10 HDEE N#Cc1ncn(CCNC(=O)NC[C@@](O)(c2ccccc2Cl)C(F)(F)F)n1 1478603481 DTJCBLPJWXHZMS-CQSZACIVSA-N 402.764 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@]2(CCCCN(C(=O)NCCn3cnc(C#N)n3)C2)C1 1478603567 GWUKKQUSSSQPMA-HXUWFJFHSA-N 417.514 1.972 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CC=CCO2)C1 1505124760 WUWXCQINUKCSLD-QZTJIDSGSA-N 413.503 1.785 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2COCCO2)C1 1505316829 BHKREAVCCOVXJO-VQIMIIECSA-N 405.405 1.854 30 10 HDEE C#CCN(C(=O)[C@@H]1CCO[C@H]1C1CC1)C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 1506351020 ZGVVODBWZWKDIZ-XKRYSZRTSA-N 400.519 1.822 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCn1cccn1)[C@H]1CCS(=O)(=O)C1 1507623872 YQTFRDCXNIRNOE-INIZCTEOSA-N 404.540 1.489 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(C)(C)OCC)[C@@H]1CCS(=O)(=O)C1 1507630439 YUAXQDWIPSRYPZ-MRXNPFEDSA-N 419.551 1.725 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN1CCC 1507653905 SQMSCWXKQKSVJM-ROUUACIJSA-N 403.552 1.127 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@H]1CC[C@@]2(CCOC2)O1 1507658463 BGIXZCNJNIMLNZ-WEMPKCCASA-N 414.506 1.413 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)CCC(C)C)CC1 1507723761 TVQSGHMZHXZEJK-UWJYYQICSA-N 402.543 1.172 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2cccn2)CC1 1507902952 QMCFYGFFBZALMO-QGZVFWFLSA-N 404.540 1.869 30 10 HDEE CCCN(CC)c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCS(=O)(=O)C1 1514643382 FFXCVWYDBQJXSH-LJQANCHMSA-N 403.508 1.603 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(CN2CCCC2=O)n1CC[C@H]1COCCO1 1517124112 GNXYKZJXHUHGFA-IBGZPJMESA-N 424.505 1.714 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC=C(COC)CC1 1517630776 ZBWUQDYUXAIDRI-UHFFFAOYSA-N 416.507 1.149 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1ccc(C(N)=O)cc1 1519162929 IDBRYQVRPFZHBF-UHFFFAOYSA-N 406.450 1.249 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@]1(O)CCCC1(C)C 1519326676 JDGNQZWHVICFAX-JXXFODFXSA-N 407.515 1.672 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCNC(=O)C2CCC2)cc1 1521095269 JRLFOPMVNPDDGH-LJQANCHMSA-N 419.489 1.852 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1cc(S(=O)(=O)N(CC)CC)cn1C)C(=O)OCC 1531937378 YALPXPXIFPOXCU-AWEZNQCLSA-N 419.931 1.860 30 10 HDEE COc1ccc(C(=O)Nc2cnc(OC)c(C#N)c2)cc1S(=O)(=O)NC(C)C 1535490546 BTLQVNGBXREDDL-UHFFFAOYSA-N 404.448 1.909 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1539141873 JVGHJKLCPCWIAP-YRPNKDGESA-N 419.570 1.961 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)cn2C)n1CCCN1CCOCC1 1539154416 FYKVBDCWRZFROE-UHFFFAOYSA-N 421.343 1.838 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](C)N(C)C 1539179313 OMLBZDXELVBHRZ-JKSUJKDBSA-N 406.531 1.606 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1CCn1ccnc1C)[C@@H]1CCS(=O)(=O)C1 1539202654 JYGHTRZXSZSUOP-DOTOQJQBSA-N 404.540 1.623 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCCO[C@H](C)C1 1539632792 UHCDBHIXQOTTMD-BDXSIMOUSA-N 424.567 1.777 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1540020997 YOWKHUFNWDQCTI-FQEVSTJZSA-N 404.515 1.809 30 10 HDEE C=CCN(CC=C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1540164435 OPNMRLBWTPYZKP-OAHLLOKOSA-N 419.489 1.649 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1 1540321225 DKYFNFJHFIFVMJ-OAHLLOKOSA-N 403.508 1.913 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC(C(=O)NCc2ccccc2)CC1 1540499319 LHMKXONNTCLPDI-LSDHQDQOSA-N 410.474 1.458 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(Cc2cc(F)ccc2OC)CC1 1540857402 UXSRORLNXZYZHJ-KRWDZBQOSA-N 414.485 1.885 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H]2CC[C@@H](OC)[C@H]2C1 1540873044 KUPNFRZFQJSUOJ-HYVNUMGLSA-N 416.551 1.797 30 10 HDEE Cc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CC[C@H](C(F)F)N1CCOCC1 1543318141 RAJZABNAKDNSMD-DLBZAZTESA-N 409.485 1.119 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](C(=O)OC)C[C@@H]2C(=O)OC)c1 1546069488 NNULXRYGIZKKJY-DOTOQJQBSA-N 421.471 1.050 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1CCCn1cccn1 1554300974 CENYJGCTVSLJQY-UHFFFAOYSA-N 420.521 1.872 30 10 HDEE C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CC[C@@](O)(CC#N)C2)C1=O 1557187911 PXIVTQSRHOHKII-YADHBBJMSA-N 406.442 1.484 30 10 HDEE Cc1ccc(C(=O)N2CCC(N3CC[C@H](O)C3)CC2)cc1B1OC(C)(C)C(C)(C)O1 1557567693 KWIKAEWHVFXWQO-IBGZPJMESA-N 414.355 1.965 30 10 HDEE C#CCNC(=O)CN1CCN(CCC(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 1559864839 WJPUCKHLTQEZBF-UHFFFAOYSA-N 417.529 1.366 30 10 HDEE C[C@H]1Cc2n[nH]cc2CN(CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 1560143547 FAISZTOMBQKWPF-HRAATJIYSA-N 410.497 1.952 30 10 HDEE Cc1nn(C)c(N2CCN(S(=O)(=O)c3cnn(C4CCCC4)c3)CC2)c1C#N 1561475928 AOIOJUWAIFUUEG-UHFFFAOYSA-N 403.512 1.423 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NCC1(C#N)CCC1 1562172558 DZXCTBZOVJJKDE-UHFFFAOYSA-N 408.480 1.531 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1 1564157877 SKUBHKHVGDLFPD-OAHLLOKOSA-N 413.565 1.539 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)cc1 1564798041 AKQCSOYEGIKXHW-GOSISDBHSA-N 416.522 1.067 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H](OC)c1ccccc1F)c1cc[nH]n1 1566870771 JYUOSRLORKXFFD-XIKOKIGWSA-N 406.414 1.725 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCN1CCN(c2ncccn2)CC1 1585200407 PAQDYALLRMZXHL-QGZVFWFLSA-N 416.526 1.022 30 10 HDEE CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CCS(=O)CC1 1585989325 RIZMSBWZOOSITO-ULURQVGTSA-N 402.476 1.133 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCCN(C(=O)CNC(C)=O)CC2)cc1OC 1586967937 UTAGKWADSSVXBV-CLFYSBASSA-N 415.490 1.470 30 10 HDEE Cc1cc(C(=O)NC[C@@]23COCCN2C(=O)COC3)c(C)n1-c1ccc(C#N)cc1 1587489736 RTVDIXBTIKYULA-QFIPXVFZSA-N 408.458 1.323 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1Cc1cccc(OCC(N)=O)c1 1587651018 HCPWMQIRPTVDAC-MRXNPFEDSA-N 404.474 1.634 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1Cc1nnc2n1CCCCC2 1587663505 YYGHUGSUYBXSGZ-INIZCTEOSA-N 407.526 1.964 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OC2CCOCC2)c1 1587898821 YJUIASVSIPRLGM-UHFFFAOYSA-N 424.505 1.585 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1OC 1587909506 MKAPISRCHLRFGA-LSDHHAIUSA-N 421.523 1.434 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H](C(C)C)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1588059502 OZVLSTGALVXSNF-MSOLQXFVSA-N 407.584 1.588 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(COC)c1 1588084256 OZEQSBRIIQVFOQ-INIZCTEOSA-N 415.519 1.156 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCC(=O)NC(C)C 1588090577 YLIMYXMRRYYPPW-OAQYLSRUSA-N 401.511 1.306 30 10 HDEE C#CCN(CC#CC)c1nnc(COCC)n1Cc1cccc(CS(C)(=O)=O)c1 1588254057 OOVYWTSUMNRCGX-UHFFFAOYSA-N 414.531 1.870 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCSCC(F)(F)F)CC1 1588812416 RHSFXOBSBZDALO-CQSZACIVSA-N 403.474 1.833 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(CC)CC)N1CCOCC1 1594948109 BELVEFJCOCSEDA-MSOLQXFVSA-N 404.559 1.988 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1595392991 FWBRPGVMAACQFE-HNNXBMFYSA-N 416.432 1.656 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCOC(C)(C)[C@H]1C 1595570009 UIYBEHWSWBWHAP-MRXNPFEDSA-N 401.515 1.446 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cccc(C#N)c2)nnc1[C@]1(OCC)CCOC1 1595595449 VJFIQQUBBUZQFZ-QFIPXVFZSA-N 424.505 1.740 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCC(N2CCCC2=O)CC1 1595760537 PFJLERVFFNDGSC-MRXNPFEDSA-N 423.583 1.984 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCO[C@H](C(C)C)C1 1595784312 DDRXIDWDXZALDE-KRWDZBQOSA-N 405.524 1.802 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)[C@H]2CCc3cncn3C2)cc1 1596419849 FMJPJCOWWQYBSN-HOEZRSETSA-N 401.492 1.897 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1C[C@]1(C)CN(C)C1=O 1603674597 YMYZIRHITXIZIN-QFIPXVFZSA-N 422.537 1.548 30 10 HDEE C[C@@H]1OCC[C@@]1(O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@](F)(C#N)C1 1613025627 FNWXUNFYCZEABC-UYHISHBKSA-N 406.849 1.975 30 10 HDEE CCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1C[C@]1(N(C)C)CCSC1 1613987723 YGEXNTSJGHWQOI-HXUWFJFHSA-N 413.551 1.813 30 10 HDEE N#C[C@@H]1CN(C(=O)CNC(=O)Nc2cccc([N+](=O)[O-])c2)CCN1Cc1ccccc1 1617186179 UAPCNOUXDBNRSA-LJQANCHMSA-N 422.445 1.953 30 10 HDEE Cn1ncc(CCCn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)n1 1618486501 BRNVUYZKHUUORL-SFHVURJKSA-N 403.450 1.307 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1618794240 CLQGTTCIJHQUIQ-LPHOPBHVSA-N 423.521 1.110 30 10 HDEE CNC(=O)CCn1c(-c2ccccc2Br)nnc1N1CCO[C@H](C#N)C1 1618794880 ZMCBLRSKCGKSSP-GFCCVEGCSA-N 419.283 1.572 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2CCCCO2)CCO1 1620354904 DPFKNZYWRIOVJP-YESZJQIVSA-N 423.539 1.258 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)N1CCC(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1622450547 UFPHFNPVZAWYJL-AWEZNQCLSA-N 424.947 1.949 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1O 1628370694 ZIOWTJXIJFDTGG-VIFPVBQESA-N 404.732 1.970 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)CC3CS(=O)(=O)C3)c(C#N)c2N)cc1 1630466995 HKHXZNAZBSMUTC-UHFFFAOYSA-N 401.492 1.118 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCC 1632066854 FHYISDRKTLEPSS-GFCCVEGCSA-N 400.840 1.022 30 10 HDEE CCOC(=O)CON=C(C(=O)NCc1ccc(OC(F)F)cc1F)c1cc[nH]n1 1632224717 HVAIFBQFBKWPNO-UHFFFAOYSA-N 414.340 1.750 30 10 HDEE Cn1c(CO)nc2cc(C(=O)N[C@@H]3CCCN(c4ccc(C#N)cc4)C3=O)ccc21 1632769847 UADGRWKEJCZJBF-QGZVFWFLSA-N 403.442 1.863 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)[C@H]2CCCN(CC(F)(F)F)C2=O)C1 1633662510 NROCZYOFYJRRIR-XQQFMLRXSA-N 418.416 1.663 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)NCc2cc(F)c(C#N)c(F)c2)cc1 1633679439 MLQYOOFWBGSTRU-LLVKDONJSA-N 409.414 1.426 30 10 HDEE Cc1[nH]c(C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)c(C)c1C(=O)OC(C)C 1635378007 AHLPNKKCJNSCIL-UHFFFAOYSA-N 400.439 1.880 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cn(C)c3c(cnn3C)c2=O)C1=O 1635568836 WCKPEUTWQMLYAK-FQEVSTJZSA-N 416.482 1.588 30 10 HDEE C=CCn1cc(CNC(=O)N2CCCN(c3ccc(C(=O)OCC)cn3)CC2)nn1 1636331158 TZYAJIAIDCFLBP-UHFFFAOYSA-N 413.482 1.458 30 10 HDEE N#Cc1ccc(NCC(=O)N[C@H]2Cc3cc(Br)cnc3NC2=O)cc1 1636917009 AYFUFEIQKLTMMO-AWEZNQCLSA-N 400.236 1.807 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCC(NC(=O)C4CC4)CC3)C2=O)cc1 1639090088 HYZIVRFEAUGDFP-SFHVURJKSA-N 423.473 1.280 30 10 HDEE COC1(OC)CCOC[C@H]1NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1641889458 OYXNTPIPGVTSQY-KMFGOTIKSA-N 423.510 1.667 30 10 HDEE CCOC(=O)[C@@H](NC(=O)c1ccn(-c2cccc(C#N)c2)n1)[C@H](O)c1cccnc1 1642606196 FVXOEINEBLLUOS-RBUKOAKNSA-N 405.414 1.534 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccccc1)N1CCn2c(nnc2-c2cn(C)cn2)C1 1644194976 URHIWJSMCPZGHX-INIZCTEOSA-N 404.478 1.830 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)CCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1 1644461237 AQOQNORPHRHNEO-LBPRGKRZSA-N 410.414 1.697 30 10 HDEE CCOC(=O)C[C@H](NC(=O)CCN/C(O)=C1\N=CC=CC1=O)c1ccc(F)cc1F 1644858014 LVQZESYBWFVCEX-CVTQAYBASA-N 421.400 1.992 30 10 HDEE COC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)Cc1cccc(OCC#N)c1)C(=O)N2 1645514279 RJUGZOTUUHDJRE-LJQANCHMSA-N 407.426 1.988 30 10 HDEE COC(=O)[C@H](CCC(=O)NC1CCN(CC#N)CC1)NC(=O)OCc1ccccc1 1648544988 TYRNGTWJLAUCLY-SFHVURJKSA-N 416.478 1.339 30 10 HDEE CCOC(=O)[C@H](CSC)NC(=O)[C@@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1649374619 ORCUIRJNUHBQSJ-DOMZBBRYSA-N 409.895 1.975 30 10 HDEE CC1(C)OB(C2CCN(C(=O)CCc3nc(-c4nc[nH]n4)no3)CC2)OC1(C)C 1651185371 UUTKJDLMKZXNBV-UHFFFAOYSA-N 402.264 1.872 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc2c(cc1Br)CCC(=O)N2 1656632468 VWGWRCHQIIFDFM-LLVKDONJSA-N 403.298 1.939 30 10 HDEE C#CCC1(NC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CCOCC1 1657538551 ZUTVQRMEBYFVNH-UHFFFAOYSA-N 407.492 1.402 30 10 HDEE CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 1663395455 ATLSLQSPRKJDIH-VWLOTQADSA-N 418.924 1.677 30 10 HDEE C#CCC1(O)CCN(S(=O)(=O)c2cc(C(=O)OC)oc2Br)CC1 1665158479 BDHJEOYSMRETAO-UHFFFAOYSA-N 406.254 1.368 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)Cc2c(Br)cccc2OC)C1 1665457514 UKTLCYZXJOKEDN-ZDUSSCGKSA-N 401.326 1.975 30 10 HDEE C#CCN1CCC(NS(=O)(=O)Cc2cc3c(cc2Br)OCO3)CC1 1665602731 GVNQYKRQJPBUCM-UHFFFAOYSA-N 415.309 1.695 30 10 HDEE C#CCCN(CC(F)(F)F)S(=O)(=O)c1cnn(C)c1I 1668468576 NKDZXCMKRLYNSN-UHFFFAOYSA-N 421.182 1.601 30 10 HDEE COC(=O)c1oc(S(=O)(=O)N2CCN(c3ccc(F)cc3C#N)CC2)cc1C 1670995721 FQPSOBYELDGWPJ-UHFFFAOYSA-N 407.423 1.896 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NCCc2ccc(C(=O)OC)cc2OC)CC1 1681437769 MTLPKJROWKOPON-UHFFFAOYSA-N 401.463 1.195 30 10 HDEE N#CCNC(=O)CNC(=O)N1CCC[C@@H]([C@H](O)c2ccc(Br)cc2)C1 1682184288 ARFKUWFDQJDFOD-CZUORRHYSA-N 409.284 1.544 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)NCCN2C[C@@H]3CCCCN3C2=O)CC1 1682954188 ZYAVUYZTMLKFRE-SFHVURJKSA-N 414.485 1.819 30 10 HDEE C=CCn1cc(CNC(=O)N2CCc3cc(OC)c(OC)c(OC)c3CC2)nn1 1683483077 MIUWNPFFIOHSHY-UHFFFAOYSA-N 401.467 1.800 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cnn(CC(C)C)c1C 1689851465 REPJNROGVCQOHC-DOTOQJQBSA-N 418.567 1.847 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1689930034 JRRZQRGJCQGVOL-SFHVURJKSA-N 408.506 1.621 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)CC=C 1690019316 FQSFMMNXEHKIEH-KRWDZBQOSA-N 419.551 1.286 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@H]1COc2ccccc2O1 1690030321 RHFQPUFRWVOXLT-KRWDZBQOSA-N 407.474 1.719 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2CCc2ccc(O)cc2)CC1 1690110555 QPOUCULJEYFFLP-UHFFFAOYSA-N 424.549 1.900 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)NCC=C)CC1 1690140074 LBPLRFACEKJIGD-UHFFFAOYSA-N 420.517 1.522 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2Cc2cc(C)no2)CC1 1690146834 YSSPTAYCSZFJLO-KRWDZBQOSA-N 412.494 1.483 30 10 HDEE C=CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)CC1 1690465000 PACYUYXFNDBURE-HNNXBMFYSA-N 417.526 1.924 30 10 HDEE C=CCN(Cc1ccccc1F)c1nnc([C@@H]2CCC(=O)N2)n1C[C@]1(O)CCOC1 1690570225 ZTNKBBXVJFJXLA-LAUBAEHRSA-N 415.469 1.712 30 10 HDEE C=CCn1c(N2CCO[C@@H](Cn3cc(C)cn3)C2)nnc1[C@@]1(OC(C)C)CCOC1 1690653255 JHAHRMBVIKMNSD-WIYYLYMNSA-N 416.526 1.915 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCC[C@H]1CC 1690665715 NEROZPKFXHIGID-MRXNPFEDSA-N 407.482 1.602 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](OC)C(C)(C)C1 1690673708 AZHUBERKPREDSB-HNNXBMFYSA-N 404.540 1.797 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2C)nnc1N1CCNC(=O)CC1 1690720516 LCJFLCCBSQFODV-UHFFFAOYSA-N 403.508 1.181 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1690992917 BNNXSFDFVIWCQQ-ZRGWGRIASA-N 420.539 1.392 30 10 HDEE COc1ccc(OCc2nnc(N3CCO[C@H](C#N)C3)n2CCn2ccnc2C)cc1 1697493028 FHJPUNRBTBCBBY-LJQANCHMSA-N 423.477 1.800 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@H](C#N)C1 1697698483 MOIGZWWSTJDGFQ-BZUAXINKSA-N 418.885 1.774 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1697778025 VFKJSARITCJICV-JKSUJKDBSA-N 407.471 1.425 30 10 HDEE N#CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCNC(=O)c2cccs2)CC1 1698490018 HGVRCLCUTPZBSY-CQSZACIVSA-N 413.507 1.461 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1705493472 JNDOFSGHRLCBNM-OCCSQVGLSA-N 404.421 1.774 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3ccc[nH]3)n2C[C@]2(O)CCOC2)c1 1705504997 GWXGHJZHRMDYIJ-JOCHJYFZSA-N 420.473 1.481 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CCNC(=O)C1CC1 1705599124 HQODRWCBGKHKRQ-UHFFFAOYSA-N 405.502 1.867 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCc1nnc(C)s1 1705621030 OPODVOPEGYGGAO-UHFFFAOYSA-N 403.512 1.003 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2c(C)noc2C)CC1 1705637918 QYXUQXKLIASKRQ-OAHLLOKOSA-N 406.494 1.899 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705738073 JWKRRWDODIXATH-QZTJIDSGSA-N 415.494 1.217 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 1705825575 XDZYNZZDVDKVRO-UZLBHIALSA-N 407.515 1.393 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@](C)(O)C(C)C)C1 1705917735 ZCRLXWDPRAJNEO-DAYGRLMNSA-N 415.560 1.077 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CC=CCC1 1705937947 JQFSUTJMSFLAIH-KRWDZBQOSA-N 421.567 1.794 30 10 HDEE CC(C)NC(=O)c1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CC(=O)N(C)C 1706630876 VDBPGNUFSAOVCD-SJORKVTESA-N 409.494 1.248 30 10 HDEE CC(C)OCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1706705169 DQNLOPJZAUGBRX-UHFFFAOYSA-N 421.509 1.697 30 10 HDEE CCCN1CC[C@@H](Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)C2)C1 1709762218 FUAFGOPRVDHMNJ-GOSISDBHSA-N 407.522 1.827 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N(C)OC1CCCC1 1711419881 MKRKQOZJAQITDP-UHFFFAOYSA-N 404.496 1.676 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CCN1CCCS1(=O)=O 1722301115 AEWDCRSRZHJKAS-HNNXBMFYSA-N 421.498 1.490 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1Cc1ccc(S(C)(=O)=O)cc1 1722303355 YOWWQFVXKMQEKB-OAHLLOKOSA-N 415.519 1.310 30 10 HDEE C#CCCCn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1722329540 CHMKUYDVQQAAGE-GHTZIAJQSA-N 421.549 1.742 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1722336823 PYQCCDWVIZGNOL-KRWDZBQOSA-N 422.489 1.311 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(-n2cccn2)cc1 1722413199 JKFNDTBVWUSNSP-GOSISDBHSA-N 424.530 1.874 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C)s1 1722429351 QBBBOZRHCWDQSA-HNNXBMFYSA-N 408.549 1.684 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC(C)(C)COC)CC1 1722450475 JUQBRMCZCZRFRK-QGZVFWFLSA-N 403.527 1.768 30 10 HDEE C=C(Br)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)[C@H](C)CC(N)=O 1722495414 WSOPWIJVPDGWGC-DYEKYZERSA-N 416.320 1.611 30 10 HDEE C=CCn1c(-c2cc(Br)cn2C)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722682546 ROAMYPYFFXBXMK-CYBMUJFWSA-N 420.315 1.788 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cccnc2OC)C1 1722709044 IQEFLSMYSXHCNZ-MRXNPFEDSA-N 400.483 1.650 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1(O)CCCCCC1 1722863076 HOCGIQHKJOQTAW-LSDHHAIUSA-N 412.560 1.569 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2Cc2ccc(Cl)nc2)n1 1726136651 DQKHMUGAYQXOKZ-MRXNPFEDSA-N 412.885 1.965 30 10 HDEE CCCNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1728186567 OMTWAXDMTGYFOQ-QFIPXVFZSA-N 424.505 1.729 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCCc2cccnc21 1740533684 TVQVPHQYGLXEIC-YQQAZPJKSA-N 416.551 1.861 30 10 HDEE C#CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740590616 IKERYIFOIZNJKA-IRXDYDNUSA-N 406.552 1.725 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCOC2)n1CC(=O)NCCc1ccccc1 1740640072 YVBRVCSGUFAOGH-FQEVSTJZSA-N 405.502 1.604 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCNC(=O)c2ccco2)CC1 1740695481 SNMRCXZEHVFUQB-UHFFFAOYSA-N 405.462 1.118 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](OC)C1 1740709234 DCZGQBVCDWALRN-HNNXBMFYSA-N 400.508 1.907 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nc(C)no1 1740773965 IIXNHXDPTXDKJS-HNNXBMFYSA-N 408.528 1.907 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 1740793108 POYTVMNPKHUNLN-PKOBYXMFSA-N 404.559 1.422 30 10 HDEE C=C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2cnn(CCOC)c2)CC1 1740826070 XDDLMQJUYDNLIS-QGZVFWFLSA-N 420.539 1.228 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCCO[C@@H](C)C1 1740891037 PBIVIFGTJKKBOO-JKSUJKDBSA-N 414.576 1.011 30 10 HDEE C=CCN(C)c1nnc(-c2cnccn2)n1C[C@@H]1C[C@H](F)CN1Cc1nccn1C 1740896768 IGGGSVAHUJAFSH-HOTGVXAUSA-N 411.489 1.703 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1C[C@H]2CC[C@H]1C2 1740900654 VUQNUJLGVHBVEK-NXOAAHMSSA-N 409.556 1.669 30 10 HDEE C=CCN(C)c1nnc(Cc2csc(C)n2)n1CCN/C(O)=C1\N=CC=CC1=O 1740902524 PCLNQEZVZVFJTA-ISLYRVAYSA-N 413.507 1.782 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1740955787 GMBROSYSAXZXFC-QGZVFWFLSA-N 417.535 1.651 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCC[C@H](CNC(C)=O)C1 1740963070 YBNKENQOKWUAEA-QGZVFWFLSA-N 416.551 1.585 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nncn2CC)C1 1740986468 YPZLEZLUMGRGBJ-BQFCYCMXSA-N 417.514 1.443 30 10 HDEE C[C@@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)N(C)C 1741862407 HNABLXOPTJGSOI-KSFYIVLOSA-N 423.521 1.395 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCSC 1748672315 RTKJNOIBTBDAKW-HUUCEWRRSA-N 415.585 1.212 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1748747422 HQXNQEWITVDDMG-QWHCGFSZSA-N 412.416 1.147 30 10 HDEE C#CCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCOCCCO 1748789988 CUSZGWZDGJRRDC-UHFFFAOYSA-N 421.542 1.861 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1748882791 GOFWSOQXOWSASC-CZIZESTLSA-N 403.446 1.263 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCOC2)n1CCS(C)(=O)=O 1748945030 KVHDSZGARHGUQE-MRXNPFEDSA-N 406.483 1.606 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN1CCCC1 1748956952 PILQCIHDXFNOBS-UHFFFAOYSA-N 421.509 1.103 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccnc(-n3cccn3)c2)CC1 1748990193 VPVSTAGRNMYKMQ-UHFFFAOYSA-N 404.522 1.861 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1 1749229689 OAKUXUPEUZZGNQ-NXHRZFHOSA-N 424.567 1.777 30 10 HDEE C=CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](CNC(C)=O)C1 1749406161 BXYGQXQNPZODQC-IBGZPJMESA-N 415.542 1.837 30 10 HDEE C=CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC2(CCOCC2)C1 1749413727 XMRVVGKNOIBRPR-OAHLLOKOSA-N 413.544 1.240 30 10 HDEE C=CCCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](n2cnc(C(N)=O)n2)C1 1749427358 QFCFEZYUAHRYJV-CVEARBPZSA-N 414.514 1.670 30 10 HDEE C=CCCOCCn1c(Cc2csc(C)n2)nnc1N1CCC(C(N)=O)CC1 1749459507 LLKWUEHXSMIEDF-UHFFFAOYSA-N 404.540 1.928 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(c2ncc(F)cn2)CC1 1749669072 GZYIGEKNJMCSBX-UHFFFAOYSA-N 416.505 1.425 30 10 HDEE C=CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OC)C1 1749744401 JNOLUXUALZZOFP-ZIAGYGMSSA-N 403.574 1.423 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1nnc2n1CCC2 1750986394 HYNDQWOHNUKDCD-UHFFFAOYSA-N 419.493 1.364 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(COc2ccc(C#N)cc2)n1CC1=CCCOC1 1751106989 TUYUICLBFKONPM-OAHLLOKOSA-N 410.478 1.776 30 10 HDEE Cc1nc(Cc2nnc(N(C)[C@H](C)CC#N)n2CCS(=O)(=O)N(C)C)cs1 1751765673 FEPTZUOGFFTSFX-GFCCVEGCSA-N 411.557 1.264 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccsc1 1760097327 CVGZJIYIOMOOMX-GDZNZVCISA-N 411.553 1.315 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCCO[C@H]1CCOC1 1760099257 DKULVQNVTUWTEI-WFXMLNOXSA-N 406.527 1.972 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C(=O)NCCOC)CC[C@@H]1C 1760153265 LZHZCASLQVBZHF-ULQDDVLXSA-N 416.526 1.010 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H]1CCN(CC)C1)[C@H]1CCS(=O)(=O)C1 1760188369 KHKKYHKYKJADSL-IRXDYDNUSA-N 416.551 1.242 30 10 HDEE C#CCN(CCOC)c1nnc(C(C)C)n1C[C@@H](N1CCOCC1)C(F)(F)F 1760242618 JOIQLSQEURBXHP-OAHLLOKOSA-N 403.449 1.751 30 10 HDEE C#CCSCCn1c(CCc2ccccc2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1760283086 AVENHFKBGNNEJN-GOSISDBHSA-N 410.547 1.644 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1760313119 JTCVNXYZFQOIHI-BQFCYCMXSA-N 416.526 1.162 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1760421954 FHPPPSSZVLPSTM-MELADBBJSA-N 413.500 1.359 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1760461261 LYRWYMPTSYQXFD-HHHXNRCGSA-N 410.569 1.629 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760518464 AHLBIKGDEWPSCO-ROUUACIJSA-N 408.506 1.525 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2=CCCOC2)C1 1760534921 IUTCCYZTWVIRGF-HOCLYGCPSA-N 411.528 1.016 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3cc(C)ccc3C)n2Cc2nnn(C)n2)C1 1760549313 BGSNXZJTIVPKEC-KRWDZBQOSA-N 424.509 1.827 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CCC(=O)NC(C)C)C1 1760549777 MJWWDYZOJURQAQ-INIZCTEOSA-N 404.515 1.097 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)CC1COC(C)(C)OC1 1760555006 UFWCXBKFFXQJFL-UHFFFAOYSA-N 414.572 1.913 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(C#N)CC3)n2CCOCCCO)CCOC1 1761287576 RPOCPDRJPPEWTJ-HXUWFJFHSA-N 407.515 1.458 30 10 HDEE COCC(=O)NC1CCN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CC1 1769156491 MPXCZXHFNFQIFB-UHFFFAOYSA-N 421.461 1.584 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1771112379 NBFJFSOTSAUCSN-LQWHRVPQSA-N 419.526 1.877 30 10 HDEE C[C@@H](C(=O)N1CCN(c2ccc(C#N)cc2)CC1)N1C(=O)c2ccccc2S1(=O)=O 1848898242 NSDYQENAMPBRMA-HNNXBMFYSA-N 424.482 1.440 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1F 1848908911 SGEWTRKXTRHTCC-UHFFFAOYSA-N 409.483 1.997 30 10 HDEE Cn1nc(-c2ccncc2)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852051427 MIMGNZDRGCWBCY-UHFFFAOYSA-N 417.473 1.728 30 10 HDEE CC(C)(C)N1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)CC2=O)CC1=O 1854336457 ACBBSWLHBIVJMP-MRXNPFEDSA-N 400.454 1.515 30 10 HDEE Cc1cccc(CCC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854394706 DDKMLCXGYXVEJO-UHFFFAOYSA-N 403.504 1.765 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccncc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854638523 QHMKBQFWQCRJFE-LBPRGKRZSA-N 402.407 1.154 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CN(S(=O)(=O)C3CC3)C2)C1 1855423217 ACDOBLQLQWPPLU-RDJZCZTQSA-N 409.552 1.216 30 10 HDEE Cc1nn(C)cc1C(=O)N1CC[C@@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855446768 BSTGBCIYEYEUHK-HXUWFJFHSA-N 407.474 1.885 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)CCc2ccc(S(C)(=O)=O)cc2)C(=O)[C@H]1C 1856261475 LXFNJGGDVNRZLI-JKSUJKDBSA-N 405.520 1.774 30 10 HDEE N#CCC(=O)N1C[C@@H](CN2CC[C@@H](Oc3ccncc3Br)C2)CC1=O 1856385472 XVAPDNIXHHJRTN-CHWSQXEVSA-N 407.268 1.586 30 10 HDEE Cc1cccc(CC(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CC2=O)c1 1856390420 AAEFAZIPKHUCHI-GOSISDBHSA-N 404.470 1.943 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@@H](N3CCC[C@@H](COc4ncccn4)C3)C2=O)cc1 1856413414 HAPROICJFVSWEH-IEBWSBKVSA-N 405.458 1.880 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2ncoc2C2CCC2)C1=O 1856756567 ODOOLLUEETVIML-HZPDHXFCSA-N 400.479 1.792 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1C[C@H](OC(=O)[C@@H]2OCCc3ccccc32)CO1 1856782535 DNYWFUZVMAIBCJ-QFBILLFUSA-N 414.439 1.720 30 10 HDEE C=C[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1cn(C)nn1 1857018818 KIHNQKBQZZOXPF-AWEZNQCLSA-N 415.475 1.274 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cnn3ccccc23)C1)[C@@H]1CCN(C)C1=O 1857076764 OMXVKSAMUIIHPD-VQIMIIECSA-N 409.490 1.432 30 10 HDEE CCn1ccc(C(=O)N2C[C@@H](CN3CC(Oc4cccnc4C#N)C3)CCC2=O)n1 1857469869 DHWZZFVTIALYOM-OAHLLOKOSA-N 408.462 1.312 30 10 HDEE CCOCCCNC(=O)[C@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931984 ORPMRXKWECUIBG-SFHVURJKSA-N 415.515 1.879 30 10 HDEE C=CCn1cc(OCC(=O)Nc2nccs2)c(=O)cc1CN1CCN(CC)CC1 1870502751 OOBZGWVTNLSLGF-UHFFFAOYSA-N 417.535 1.646 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCCOC)cn1CCCN(C)C 1870526387 XWTSPLUPOCCVJJ-UHFFFAOYSA-N 420.554 1.115 30 10 HDEE C=CCn1c(C(=O)N2CCN(CC)CC2)cc2c(N3CCC(CO)CC3)ncnc21 1873560484 AMSFJIFLHFVDTO-UHFFFAOYSA-N 412.538 1.604 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(C)ccc1O 1874435446 HKHXWCBMRCGSNY-AWQFTUOYSA-N 405.480 1.856 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3ccncc3Cl)CC2)CC1 1889240471 GZWOJLYSZDXGEN-UHFFFAOYSA-N 404.942 1.997 30 10 HDEE O=C(N[C@@H](CCS(=O)(=O)CC#CBr)C(=O)O)OCc1ccccc1 1892342300 UHANZUVPEIPLBQ-ZDUSSCGKSA-N 418.265 1.527 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@@H]1O 2116219223 CZTXMJMYNPWYDL-UHTWSYAYSA-N 401.510 1.562 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC[C@H](C#N)C2)C1 2118167333 ITJBSRDQOGQAGH-OCDDVZBJSA-N 406.530 1.184 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 2118167982 KJEZIZYOSKUJKS-UHFFFAOYSA-N 400.888 1.958 30 10 HDEE C#CCN(C(=O)[C@@](C)(CC(F)F)NC(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 2180138554 YVULSIOANSSUHA-YVEFUNNKSA-N 408.467 1.574 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)O)N(S(=O)(=O)c2ccc(C#N)s2)C1 2188810607 ZHSANVKNUPASBX-JQWIXIFHSA-N 415.493 1.751 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N1[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]1COC2 2204518510 XRCOLTIMFXKYHZ-PMPSAXMXSA-N 401.529 1.822 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247843659 OILPBYOJOBBGSI-MPBGBICISA-N 418.303 1.448 30 10 HDEE Cn1nnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NCCCCOCc1ccccc1 2247847099 RFHWXQJNNUBVDX-UHFFFAOYSA-N 414.315 1.841 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 2247908146 OBNDBRCOOZRTJV-KRWDZBQOSA-N 410.327 1.724 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)OCC12CC2 2248481679 OZUJDGAXRWLSCN-OAHLLOKOSA-N 420.315 1.906 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N3CC(N)C3)c(Cl)c2)OC1(C)C 2267465430 OMZRQXVFWCUWNH-UHFFFAOYSA-N 407.128 1.624 30 10 HDEE CN(C[C@H]1COCCN1)C(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281939339 XBVIDSMJJZIZQZ-NSHDSACASA-N 400.737 1.761 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@@H]4C[C@@]4(CO)C3)cc2Cl)OC1(C)C 2282304131 GTGXUMPRHPLCRZ-QFYYESIMSA-N 419.761 1.704 30 10 HDEE CCN1CC[C@@H]1CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282313325 JTLJYMOHAVHJIU-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE CCCN([C@@H]1CCNC1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282332402 AEKCEQACTCXQGC-CYBMUJFWSA-N 400.375 1.810 30 10 HDEE C[C@H]1[C@@H](C)SCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282335670 SPCXLGJMKQKPAT-NWDGAFQWSA-N 401.363 1.234 30 10 HDEE CC[C@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@H]1CO 2282343390 PQKCUTLNJWXPDU-QWHCGFSZSA-N 401.359 1.686 30 10 HDEE C[S@@](=O)C1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCC1 2282492603 RWERBYOUNQOZOH-RUZDIDTESA-N 419.399 1.627 30 10 HDEE CCCN(CC(=O)OC)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496586 DIARMXFYVWWFMD-UHFFFAOYSA-N 403.331 1.621 30 10 HDEE COC(CNS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)OC 2282498232 APGHBUDAOYZKSZ-UHFFFAOYSA-N 405.347 1.561 30 10 HDEE CN(C(=O)c1ncsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CS(=O)(=O)C1(C)C 2282520671 SYNYAGLQYOXZRR-SNVBAGLBSA-N 400.331 1.090 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@H](C)[C@H](N)C1 2282826591 SHRBABCKKRSZPK-WCQYABFASA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@@H]2CNC[C@@H](F)C2)OC1(C)C 2282839795 AJSBYYNDGNVADC-STQMWFEESA-N 404.338 1.167 30 10 HDEE CN(C1COCCOC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282849176 XLTGYPJOIHCZAT-UHFFFAOYSA-N 403.331 1.083 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(F)CCCNC3)s2)OC1(C)C 2282849967 JINZEFOBCKMUEY-INIZCTEOSA-N 404.338 1.417 30 10 HDEE C[C@@H]1C[C@@H](CN)CCN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282850922 VEHRDKMMJWCHBV-OLZOCXBDSA-N 400.375 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@H]2CCC[C@H]2O)OC1(C)C 2282866647 MVWAUXKKLWXPGL-TZMCWYRMSA-N 401.359 1.628 30 10 HDEE C[C@@H]1OC[C@@H](NS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282883401 ZYFOMZVCECEALN-SGMGOOAPSA-N 401.359 1.890 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N2CCOC[C@H]2C(F)F)OC1(C)C 2282884074 JOWAYNGGHYDUOL-NSHDSACASA-N 409.285 1.702 30 10 HDEE CC(C)[C@H](CC(=O)O)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284395096 HPEKMEKAHNVWNJ-LBPRGKRZSA-N 403.331 1.825 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CC[C@@]1(C)C(=O)O 2284400373 ABWTVEPHXXQQRT-INIZCTEOSA-N 401.315 1.593 30 10 HDEE Cn1cnc(B2OC(C)(C)C(C)(C)O2)c1C(=O)NOC1CN(C(=O)OC(C)(C)C)C1 2300221979 IMFPLAGLYAHRJE-UHFFFAOYSA-N 422.291 1.000 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H](N)c1nc(Br)nn1CCOC 2328390919 VGSSLHIEIGIBIX-VXGBXAGGSA-N 416.320 1.994 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1ccncc1 2330748054 WXNDGPWXCGCGNR-UHFFFAOYSA-N 416.492 1.379 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@@]1(C(=O)O)CCN(C(=O)OCc2ccccc2)C1 2345084891 FSAWDADVBYKNJP-PXNSSMCTSA-N 422.503 1.527 30 10 HDEE CCCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@@H]1[C@H](O)C#CC(C)(C)S(C)(=O)=O 2365178907 MDXABIKJWCXMEA-ARFHVFGLSA-N 403.541 1.836 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(COC)C=CCN1C(=O)OC(C)(C)C 2365196969 RNLRUTLRZQDZAY-DNVCBOLYSA-N 400.541 1.593 30 10 HDEE CC(C)(C)OC(=O)N[C@H](C[C@@H]1CCCO1)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367790876 IBKDPIOUWRPXBP-HRCADAONSA-N 400.541 1.747 30 10 HDEE CO[C@@H]1C[C@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)CN(C(=O)OC(C)(C)C)C1 2367801967 XDDGCSYMDPAQQP-XHSDSOJGSA-N 401.525 1.590 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@H]1CCN1C(=O)OC(C)(C)C 2367809849 QZUWEYWHIVJOKS-OAGGEKHMSA-N 400.541 1.306 30 10 HDEE CC(C)(C)OC(=O)NC1([C@@H](O)[C@@H](N)C#CC2(S(C)(=O)=O)CC2)CCCCC1 2367813451 DMJOREJOVXEXMO-GJZGRUSLSA-N 400.541 1.483 30 10 HDEE CC(C)C[C@H](CNC(=O)OC(C)(C)C)[C@H](O)[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367819969 PZMIYHRXXWURQU-PMPSAXMXSA-N 402.557 1.442 30 10 HDEE CCCN[C@@H](C#C[C@@H]1[C@@H]2COC[C@@H]21)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2368319793 WIYCDDOWXNECKJ-BQJWPVKWSA-N 400.541 1.188 30 10 HDEE C=CCN([C@H]1CCS(=O)(=O)C1)[C@]1(C(=O)O)CN(C(=O)OC(C)(C)C)[C@@H]1CC 2375785804 TWWPHWQLSRUJEB-PMUMKWKESA-N 402.513 1.514 30 10 HDEE COc1ccc(NC(=O)CSc2nnc(N/N=C/c3ccco3)n2N)cc1OC 20527777 MTBNXQANJGYQNZ-DJKKODMXSA-N 417.451 1.779 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(N/N=C/c3cccc(O)c3)n2N)c1 20806394 BQOLQGJDSFOZPE-KEBDBYFISA-N 413.463 1.883 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)Nc2ccc(Br)cc2C)CC1 27559472 NFOQGTPFVHUQMH-UHFFFAOYSA-N 409.328 1.616 30 10 HDEE CCN(C)C(=O)[C@H](C)Sc1n[nH]c(N/N=C/c2cc(OC)c(O)cc2[N+](=O)[O-])n1 59820615 HOMMALKFFXLJJD-PCYPHTAMSA-N 423.455 1.832 30 10 HDEE C=CCOc1ccccc1NCC(=O)N1CCNC(=O)[C@@H]1CC(=O)OCC(C)C 66062410 QKAVUGDOSQSYQH-KRWDZBQOSA-N 403.479 1.580 30 10 HDEE N#Cc1cccnc1N1CCC(CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 70896861 ATRRKXKXDHXJIK-UHFFFAOYSA-N 408.418 1.833 30 10 HDEE Cc1cc(C)c2c(OCC(=O)N3CCCN(c4ncccc4C#N)CC3)nn(C)c2n1 110589799 BMSUGZPKBNPUHJ-UHFFFAOYSA-N 419.489 1.970 30 10 HDEE Cc1cccc(C(=O)N2CCC(O)CC2)c1NS(=O)(=O)c1cnc(C)c(C#N)c1 427101815 QOADOEPSVZBKAI-UHFFFAOYSA-N 414.487 1.968 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC(F)F)CC1 438428151 RNHNQDOQDINWMN-CVEARBPZSA-N 408.449 1.773 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@]2(C(=O)O)C[C@@H](OCC)C2(C)C)c1 439714386 BHTRTGSQDKRFGX-BEFAXECRSA-N 410.492 1.539 30 10 HDEE CNC(=O)CNC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C#N)c2)c1 443535132 ZIEPAMRZCWMDIO-UHFFFAOYSA-N 406.851 1.488 30 10 HDEE CCCn1c(=C(C#N)C(=O)NC2CC2)sc(=Cc2c(F)cc(C#N)cc2F)c1=O 447279056 GCQNBIJBZVNUGC-UHFFFAOYSA-N 414.437 1.251 30 10 HDEE Cc1cc(C(=O)N2CCCN(S(=O)(=O)N(C)C)CC2)nn1-c1cccc(C#N)c1 461307172 LVIKYODNVCQFQZ-UHFFFAOYSA-N 416.507 1.007 30 10 HDEE CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)c1 472996411 BZABEDGUOUDNSB-UHFFFAOYSA-N 423.477 1.479 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 473447580 AEJHRYMWTIDTDT-UHFFFAOYSA-N 409.508 1.272 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)c1 504162886 JFYBFGNYWQCKNF-GOSISDBHSA-N 412.471 1.392 30 10 HDEE COC(=O)[C@H](C)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 504912869 BLIFYBMGXUHBJI-DYVFJYSZSA-N 412.446 1.563 30 10 HDEE CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1 505037827 FVYBPATUHJUZGW-UHFFFAOYSA-N 406.508 1.806 30 10 HDEE CCOC(=O)Cc1csc(NC(=O)CN2CCN(c3ncccc3C#N)CC2)n1 506924738 ZQIRLABBDATIEM-UHFFFAOYSA-N 414.491 1.276 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 509001067 VMSQGAXGEJYROE-ZWKOTPCHSA-N 418.542 1.075 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)CC1 512473988 HOVIJVLZQIEKDP-UXHICEINSA-N 415.513 1.555 30 10 HDEE N#Cc1ccc(Oc2ccc(C(=O)NC3CCC4(CC3)NC(=O)NC4=O)cc2)nc1 514594047 KZMQQOHWCLNTGQ-UHFFFAOYSA-N 405.414 1.996 30 10 HDEE CC(=O)c1ccc(C#N)cc1N1CCN(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)CC1 515253536 HESQYFCHNHIQRZ-GASCZTMLSA-N 406.508 1.237 30 10 HDEE COC(=O)CCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cccs2)c1=O 522109720 QZQNLDAVNBCKEA-UHFFFAOYSA-N 416.524 1.797 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(Cl)c(F)c2)C1=O 535884083 ADODTQLZBRYKEE-GOEBONIOSA-N 422.844 1.317 30 10 HDEE CC(C)n1cc(C#N)c(NC(=O)C(=O)N2CCN(C(=O)C3CCCCC3)CC2)n1 540276930 NCMUCDKFOSVEPO-UHFFFAOYSA-N 400.483 1.525 30 10 HDEE CNS(=O)(=O)[C@@H]1CCCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)C1 542035316 WTYCROPSWIWBSK-CQSZACIVSA-N 422.898 1.943 30 10 HDEE N#Cc1cccc(N2CCN(CC(=O)N3CCO[C@H](c4ccc(F)cc4)C3)CC2)n1 546917164 SFNPJCORCFGELM-FQEVSTJZSA-N 409.465 1.814 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccnc(OC(F)F)c1 556581450 UODOLIZLZWMQEL-LLVKDONJSA-N 410.402 1.538 30 10 HDEE COCCNS(=O)(=O)c1ccc(C)c(C(=O)NCc2ccc(C#N)c(OC)c2)c1 565512425 VHMILRMVJXWXPH-UHFFFAOYSA-N 417.487 1.730 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)cc1 566355885 RNGSGDZKIUAOLT-CQSZACIVSA-N 419.894 1.280 30 10 HDEE C=CC[C@H](CO)CNC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 571457232 UBIQJTUEDXEERR-IVECGHKRSA-N 420.509 1.767 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3nnc(O)c4ccccc34)n2C[C@@H]2CCCO2)CCO1 573333077 YALHXMRZSDUEHH-UONOGXRCSA-N 407.434 1.502 30 10 HDEE N#Cc1ccccc1OCC(=O)NC[C@H]1CCN(S(=O)(=O)c2cccs2)C1 583457191 RLSUGCMJMRBMMS-CQSZACIVSA-N 405.501 1.826 30 10 HDEE C[C@@](O)(C1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)CC1)C(F)(F)F 586860781 QJVIAVQXQPGZJO-QGZVFWFLSA-N 401.360 1.865 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cccc(N3CCCC3=O)c2)CC1 604182419 IJWSSTYNDILUEF-QGZVFWFLSA-N 413.522 1.504 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)NC[C@H]3CCC4(CCOCC4)[C@H]3O)CC2)nc1 619817049 BEWZHWASQCFICM-XLIONFOSSA-N 413.522 1.789 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669808858 GWWKFOYOAJAZCM-ZIFCJYIRSA-N 420.558 1.177 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@@H]3CCCN3CCOC)ccc2c1=O 727859913 IQKVRXYWSHFFIX-HNNXBMFYSA-N 402.520 1.712 30 10 HDEE CCS(=O)(=O)Nc1ccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1OC 732675477 WFLRWEXDNPYIRV-OAHLLOKOSA-N 407.496 1.661 30 10 HDEE N#Cc1ccc(OCCNC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)cc1 743836657 UZUJFZRVCVLVOB-UHFFFAOYSA-N 424.276 1.777 30 10 HDEE CN(C)CCNC(=O)C[C@@H]1S/C(=N/Cc2cccc(C(F)(F)F)c2)NC1=O 746391149 XDLDZIFXXDARNQ-ZDUSSCGKSA-N 402.442 1.861 30 10 HDEE CCCCOc1ccc(C=NOCC(=O)N2CCC(NC(N)=O)CC2)cc1OC 748550205 BNNOUHDJPFRQIK-UHFFFAOYSA-N 406.483 1.884 30 10 HDEE C#CCN(Cc1csc(-c2c(C)c(C)nn(C)c2=O)n1)[C@@H]1CCS(=O)(=O)C1 750043345 TYJWQQZDDWHDQP-OAHLLOKOSA-N 406.533 1.143 30 10 HDEE Cn1[nH]c(Br)c2c(=NCCNC(=O)N3CCC[C@@](C)(C#N)C3)ncnc1-2 753169127 IJJRBZYUOVRZJG-INIZCTEOSA-N 421.303 1.246 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCOC[C@@H]1C[C@H](O)c1cccs1 756684208 GKNSMCBAYHZDCI-MDXPNVGLSA-N 420.491 1.108 30 10 HDEE N#Cc1ccc(C(=O)OCC(=O)Nc2cc(-n3nnnc3C3CC3)ccc2F)cn1 761153668 FYHOSAPFUJDWFP-UHFFFAOYSA-N 407.365 1.741 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)CCN1C1CC1 762447579 XYPQYXLWCQCKMH-GOSISDBHSA-N 412.881 1.722 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 763878640 CQRFJQLYQSMYBS-UHFFFAOYSA-N 413.499 1.702 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC[C@@H]1COc2ccccc2O1 765656648 KHEDBYMFAMMDPG-CQSZACIVSA-N 415.471 1.462 30 10 HDEE C=Cn1cc(C=c2sc(=C(C#N)C(=O)NCCC)n(-c3ccc(F)cc3)c2=O)cn1 772274706 GJFLPLXZIIUHPD-UHFFFAOYSA-N 423.473 1.364 30 10 HDEE C#CCN(C(=O)N[C@@H](CN1CCCC1=O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 774169472 BQCHOERWWBOOJG-ROUUACIJSA-N 403.504 1.182 30 10 HDEE COC(=O)C(=O)[C@H](C)OC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 778298145 KHJBMWDJLDEEBX-NSHDSACASA-N 401.375 1.696 30 10 HDEE C#CCN(C(=O)CSc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1 783966396 OOUPYXITVCTOBZ-LBPRGKRZSA-N 402.881 1.989 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2CCC2CS(=O)(=O)C2)c1 786689985 QHNQLTIKUMVOQY-INIZCTEOSA-N 419.528 1.170 30 10 HDEE C=CCn1c(CCN2CCCCC2)nn(CN2CC[C@@]3(CNC(=O)C3)C2)c1=S 788383570 RHXXSXBMKLPJGS-HXUWFJFHSA-N 404.584 1.798 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)CC1 792275688 PCIHGEJQIXALOV-UHFFFAOYSA-N 414.472 1.963 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C=NNc1ccc(S(N)(=O)=O)cn1 792962736 OKNGPQOSUOGLBD-JTQLQIEISA-N 405.427 1.771 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)NCCN/C(O)=C3/N=CC=CC3=O)CC2)c(F)c1 796376050 HNTLYELUWGNCLJ-VZCXRCSSSA-N 411.437 1.556 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NC[C@@](C)(O)CO)c1 797617627 IBOPMGRLTAYFGC-WKSXIXGESA-N 412.512 1.144 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2)n1 798508024 YDRCABGYGNMACT-OAQYLSRUSA-N 424.501 1.805 30 10 HDEE C=C(C)Cn1c(CNC(=O)OCc2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 802557652 CPGKJWIQCYGHES-INIZCTEOSA-N 412.494 1.948 30 10 HDEE CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 804161933 QMEQFGBIWFSNTK-OAHLLOKOSA-N 404.442 1.781 30 10 HDEE C[C@H]1COCC[C@H]1C(=O)NS(=O)(=O)c1cc(Br)c(C#N)cc1F 809123728 JEQCZJKMTZGBNV-WCBMZHEXSA-N 405.245 1.937 30 10 HDEE COCCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N(C)[C@H](C)CC#N 812172842 OPYJZIDEEDVFKL-CABCVRRESA-N 408.503 1.971 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C 813654299 MTVCEZYXQNQWIY-GFCCVEGCSA-N 405.469 1.285 30 10 HDEE COC(=O)[C@@H](OC(=O)c1cc2c(c(S(N)(=O)=O)c1)CCC2)c1ccc(C#N)cc1 1118944217 GPZSEFIELQUGMV-SFHVURJKSA-N 414.439 1.765 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCCCCNC(=O)CC2)ccc1F 1132031627 SLSNJANNMDTNLD-UHFFFAOYSA-N 411.499 1.813 30 10 HDEE C#CCN(C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)C1CCCCC1 1136513206 SRVUSMGTZTXPFN-UHFFFAOYSA-N 412.533 1.163 30 10 HDEE CC[C@H]1CN(C(=O)CCn2cc(C#N)c(O)nc2=O)CC[C@H]1NC(=O)OC(C)(C)C 1138039203 HLBCKFJXQNAANZ-DZGCQCFKSA-N 419.482 1.362 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@]1(CNC(=O)OC(C)(C)C)CCCOC1)C(=O)OC 1139175460 FUKOGRJAMJWLGQ-KUHUBIRLSA-N 400.472 1.168 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)[C@H]3CC(=O)N(c4cccc(F)c4)C3)C2=O)cc1 1139811218 GXOKPPUZMJJYPL-PXNSSMCTSA-N 420.444 1.968 30 10 HDEE C[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CN(C)CCO1 1150039805 YCXFRMLTQAZGLP-PXAZEXFGSA-N 407.312 1.592 30 10 HDEE N#Cc1c(N)sc2c1CCN(C(=O)[C@H](O)[C@@H](O)c1nc3ccccc3s1)C2 1158216573 ZRSWGZRDRPDARN-HUUCEWRRSA-N 400.485 1.791 30 10 HDEE CS(=O)(=O)c1ccc(N)c(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 1164154900 DHIVTOYYUSZMEN-UHFFFAOYSA-N 412.515 1.938 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](CO)[C@@H](O)c2ccccn2)CCCN1C(=O)OC(C)(C)C 1171181369 LLNMGJAZGBSQMC-LLGFUMIMSA-N 405.495 1.938 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc3cnn(C(C)C)c3c2)CC1 1215024033 OQQIPWRADJZAQX-UHFFFAOYSA-N 404.496 1.234 30 10 HDEE Cn1cnn(-c2ccc(NC(=O)N3CC[C@H](Oc4ccc(C#N)cn4)C3)cc2)c1=O 1216255049 HRHKNESINGKJMN-KRWDZBQOSA-N 405.418 1.523 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN3CCC[C@H]3C2)cc1)[C@H]1CCS(=O)(=O)C1 1219955547 CEOIOTOMVXRYMB-PMACEKPBSA-N 416.547 1.625 30 10 HDEE C#CCOc1ccccc1CNC(=O)NCCc1ccc(S(=O)(=O)NC)cc1 1221992732 DRLQASWAKIGEGT-UHFFFAOYSA-N 401.488 1.649 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1)c1ccc(Br)cc1 1230498673 HSAADAYAJPGXDO-MRXNPFEDSA-N 416.279 1.915 30 10 HDEE COc1ccc(C2(CNC(=O)N3CC(n4cc(C#N)c(O)nc4=O)C3)CCC2)cc1 1230758366 UCKLUQHWRBRNSY-UHFFFAOYSA-N 409.446 1.517 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C(=O)OC)c2ccsc2)ccc1F 1269994933 CHPRRQKBUWQVBN-OAHLLOKOSA-N 412.464 1.996 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(C#N)s3)CC2)cn1C 1276440691 DMYDRQHBWHYCOY-UHFFFAOYSA-N 407.521 1.379 30 10 HDEE N#CCc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)cc1 1277293067 JFTFDTSFPKMZEM-UHFFFAOYSA-N 417.462 1.843 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1286334871 BWOMXWJUIZFUQC-MRXNPFEDSA-N 409.556 1.623 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1cc(F)cc(F)c1 1286400218 ZNFTZBVJVRNXDE-CQSZACIVSA-N 421.473 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(CCOc2ccccc2)n1CC1(N2CCOCC2)CC1 1286414609 ABNNFGIQWSYMPZ-UHFFFAOYSA-N 419.529 1.837 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCn1cncn1 1286427325 CRMLNFGIOZYWJT-LJQANCHMSA-N 403.446 1.545 30 10 HDEE C#CCN(CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(O)CCO[C@H]1C 1286444494 YNZXAPGJWQZHKS-QKKBWIMNSA-N 408.462 1.593 30 10 HDEE C#CCN(CCOC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H](C)COC 1286462723 SRMVZJMCXWBCHG-MRXNPFEDSA-N 424.505 1.561 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1CC(F)(F)F 1286468727 HIHMUKKULRZORJ-UHFFFAOYSA-N 401.414 1.918 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)N(C)C)CC1 1286489917 HWZISUHNTJZQJP-UHFFFAOYSA-N 424.505 1.008 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC(=O)N(C)C[C@@H]1C 1286602056 SOKAQCKTYBAHDY-HNNXBMFYSA-N 406.531 1.456 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1286789027 NDBPXDDYYNWUAJ-INIZCTEOSA-N 423.521 1.061 30 10 HDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCCNS(C)(=O)=O)c1 1300359786 GILIEPMBTNLXNG-UHFFFAOYSA-N 418.523 1.633 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCO[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1300498791 NGXRGNCYUNETHY-KSZLIROESA-N 408.568 1.918 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(CC(C)C)CC2)CC1 1300699475 DDVPAEUZSODZJD-SFHVURJKSA-N 419.595 1.762 30 10 HDEE C=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](C(N)=O)C1)c1ccccc1 1301008936 DNBNWAIJHHPKTK-SJORKVTESA-N 415.519 1.205 30 10 HDEE COC[C@H](Cn1c(-c2cccnc2)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1301015680 VTFXNQANUXZFCT-KRWDZBQOSA-N 421.461 1.536 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCCO2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1301041062 JLFMBDLDJDBGHP-ZDUSSCGKSA-N 408.890 1.793 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC(=O)N(C)OCC(F)(F)F)n[nH]2)c1C 1301102110 UZIZZLARSOWJHP-UHFFFAOYSA-N 414.388 1.758 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 1301216647 OQQPWZOFLBSVHB-INIZCTEOSA-N 424.571 1.494 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Nc2cccnn2)CC1 1301458512 BGUXEJZHUXWKPL-CQSZACIVSA-N 403.512 1.237 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@@H](C#N)C1 1301483431 OMUINFKQWYVKER-INIZCTEOSA-N 418.461 1.366 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(Oc3cc(C)ccn3)cc2)CC1 1302924821 SUKPOOYBUYEKCZ-UHFFFAOYSA-N 414.487 1.408 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1 1303775214 JIVNMMGGDHPHFY-XKKCUXDKSA-N 421.519 1.314 30 10 HDEE CC1(C)CC(=O)N[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C#N)CC1 1303952770 VLRVWGLVMFFDPI-HNNXBMFYSA-N 422.493 1.580 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N[C@@H]2CN(C(=O)OCC)C[C@H]2CO)cc1OC 1304846998 GFWAXOKVSYUGDJ-FCLXQVKYSA-N 404.463 1.839 30 10 HDEE COC(=O)[C@@]1(CN=c2c(C#N)c[nH]c3c(F)c(F)c(F)cc23)C[C@@H]1S(C)(=O)=O 1307200609 DMSDPAICFPKTFM-APPDUMDISA-N 413.377 1.334 30 10 HDEE COC(=O)[C@H]1CN([C@@H](C)C(=O)NC2(C#N)CCC2)CC12CN(C(=O)OC(C)(C)C)C2 1308107287 LQIGAPBRHZXIMS-LSDHHAIUSA-N 420.510 1.279 30 10 HDEE N#CC1(CNC(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CCCCC1 1313025880 FQCZBFZISVXRJD-UHFFFAOYSA-N 419.551 1.822 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@@H](C)[C@H]4C)O3)CC2)c1C#N 1313309488 HTDRXEDQKQVWNC-PCPGWFQFSA-N 416.526 1.404 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@H]1CCOC1 1316537090 ZSKZIFIJWDJLCX-IAGOWNOFSA-N 407.540 1.737 30 10 HDEE C=CCO[C@@H]1CCN(CN2C(=O)N[C@@]3(CCCN(C(=O)OC(C)(C)C)C3)C2=O)C1 1323974519 ILTDPDKFPKMCJD-FOIQADDNSA-N 408.499 1.542 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CCSCC3)CC2)cc1 1349671500 YSWYQXRTMHMHEJ-UHFFFAOYSA-N 421.544 1.759 30 10 HDEE COc1cc(OC)nc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCN3C)cc2)n1 1357543564 LMUZKKCPRRGKKR-HYARGMPZSA-N 419.463 1.559 30 10 HDEE C#CCN(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(OCC(F)(F)F)c1 1358937190 LSFSJIHNTFWTRE-UHFFFAOYSA-N 422.411 1.968 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1C[C@@H]1CCC[C@H]1N1CCCS1(=O)=O 1358944611 ACTJCIHPZZYMKM-FUHWJXTLSA-N 414.535 1.614 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCn2ccnc2C1 1358999484 SKCVCGYQASJYFX-MRXNPFEDSA-N 404.478 1.844 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@](C)(O)CCC)CC1 1359028355 PHXWLSOFZVLDOA-NRFANRHFSA-N 404.559 1.503 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CC(=O)N(C)C)CC1 1359042953 AMACFVLGCTVPAJ-UHFFFAOYSA-N 408.506 1.308 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC[C@@H](OCCOC)C1 1359081408 AFKZLNHMVLZWCK-CYBMUJFWSA-N 409.288 1.885 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1359135411 CKAXRDWJQCISDZ-DYESRHJHSA-N 419.526 1.377 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(Cl)cc2)n1Cc1nnn(C)n1 1359476351 BWTKFJMHDRQWQD-LBPRGKRZSA-N 401.862 1.678 30 10 HDEE C=CCOC[C@H](NC(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C)C(=O)OC 1448495615 NVUHZAKQVRETET-AWEZNQCLSA-N 410.471 1.560 30 10 HDEE COCCN(CC#N)C(=O)[C@@H](C)CS(=O)(=O)c1ccc(Br)cc1 1450856125 YXFMQBRRTSLIOD-LBPRGKRZSA-N 403.298 1.857 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCO2 1454936757 LALWEGUTLYQOSK-HNNXBMFYSA-N 416.434 1.369 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 1456023707 GFUSMLJDUGYDOT-HXUWFJFHSA-N 412.534 1.709 30 10 HDEE C#C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C(F)(F)F)c1)C1CCOCC1 1457950939 ONYJRNAUGGTOHO-BLLLJJGKSA-N 418.437 1.917 30 10 HDEE C[C@@]1(C#N)CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 1461731434 VBEYPHIBGYXFBV-FQEVSTJZSA-N 419.503 1.621 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)cc1 1464164527 DIKJLQZELVRJTH-UHFFFAOYSA-N 412.515 1.863 30 10 HDEE C=C(C)C[C@@H](CO)NS(=O)(=O)C[C@H]1CN(C(=O)OCc2ccccc2)CCO1 1464377294 GEOCYEBGQNUHJC-ZWKOTPCHSA-N 412.508 1.271 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)C3=C4CCCN=C4NN3)c(C#N)c2N)cc1 1465600303 YZXXYGMSBCUGIL-UHFFFAOYSA-N 404.478 1.238 30 10 HDEE CCCN(C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)[C@H](C)C(=O)OCC 1467577615 FRWDBJIBAHQRHQ-CQSZACIVSA-N 409.508 1.696 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H](c3cnn(C)c3)C3(CO)CCC3)cc2C1=O 1468340690 KVHXPFJXOCVEFR-SFHVURJKSA-N 408.458 1.836 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCc3nc(C(C)(C)C)ncc3C2)c1 1470402110 BMEGPCYPTWHBFC-UHFFFAOYSA-N 412.515 1.884 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CCc3c(sc(N)c3C#N)C2)c1 1472224479 BSRWBGMMVAVYDM-UHFFFAOYSA-N 404.517 1.682 30 10 HDEE COc1ccc(N2C[C@H](NS(=O)(=O)c3c(F)cc(C#N)cc3F)CC2=O)cc1 1475480583 BKIDCHXJFLLUEQ-GFCCVEGCSA-N 407.398 1.929 30 10 HDEE COCCN1[C@@H](C)CN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C 1478567076 FKOYPIWOKDCXBU-QKLQHJQFSA-N 413.522 1.410 30 10 HDEE CN(CC#Cc1ccc(Cl)cc1)C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1486343374 NCKLGPHYHKAQJF-YQPXSLGVSA-N 402.922 1.866 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCSC2)CCO1 1505322154 JRCMOFFUKVPFCE-SUMWQHHRSA-N 406.899 1.590 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(OC)c2)n1C[C@H]1CCS(=O)(=O)C1 1507706244 JZWSLORGKCNXMQ-MRXNPFEDSA-N 418.519 1.474 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCN1CCCC[C@@H]1C 1507713159 ZFNQGOQUVVUWQI-ROUUACIJSA-N 402.543 1.580 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCC(=O)NC2CC2)CC1 1507723632 OWAVKBXCMDKIRN-UHFFFAOYSA-N 407.522 1.463 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCCC2=O)C1 1507755077 AQUKWBUGLJPCOO-GOSISDBHSA-N 410.547 1.831 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCOC2)n1C[C@H](C)N1CCN(CC)CC1 1507773642 UVYRZAYFWDEKOO-NNMXDRDESA-N 400.571 1.800 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCC2)CC1 1507968400 SFQYVYPFROPWKX-QGZVFWFLSA-N 423.583 1.447 30 10 HDEE C=CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1cnn(C)n1)C1CC1 1507994315 ZLAHHQYBIUNQMH-AWEZNQCLSA-N 405.528 1.096 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1Cc1cc(C)nn1C 1508041005 FTEWXMWVAPVUCP-UHFFFAOYSA-N 413.482 1.735 30 10 HDEE C=CCn1c(N2CCN(c3ccnc(C)n3)CC2)nnc1[C@]1(OC(C)C)CCOC1 1508068538 ZWQPNYFYDLMIOD-NRFANRHFSA-N 413.526 1.930 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)O[C@H](C2CC2)C1 1508142174 QZZWBJLGZRTNHN-UAGQMJEPSA-N 410.540 1.387 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@]1(C)COCCO1 1508422127 WRNXJRXSRZQZDH-SPLOXXLWSA-N 423.477 1.995 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@](C)(O)C1CC1 1509944277 IDCNQUAPUMMSGP-VLIAUNLRSA-N 407.482 1.820 30 10 HDEE COc1ccccc1-c1nnc(N(C)C[C@H](C)C#N)n1Cc1cn(C2COC2)nn1 1518422051 OPMWPHCCGLOCCC-CQSZACIVSA-N 408.466 1.761 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1518870911 BDRZPWDGASMTSN-AWEZNQCLSA-N 404.421 1.671 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCS(=O)CC3)n2CC(=O)NCc2ccco2)c1 1521082159 DNZSLWVJLKBSOO-UHFFFAOYSA-N 424.486 1.295 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCSCCCO)CCO1 1521128353 BWOAMPBRYIWVHW-AWEZNQCLSA-N 408.915 1.838 30 10 HDEE N#C[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2cccc(OCC(N)=O)c2)CCO1 1521128546 DOLRTKQKLORNGC-GOSISDBHSA-N 410.478 1.577 30 10 HDEE N#C[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C(N)=O)nc2)CCO1 1521128561 DSVZRKHUSATTMS-AWEZNQCLSA-N 423.864 1.869 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 1526679487 XAOVGWUOWABVDR-PBHICJAKSA-N 409.464 1.238 30 10 HDEE C#CC[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCN(C(C)=O)CC3)cc2)C1 1530084661 ZYAHDBQAWSZNEH-SFHVURJKSA-N 417.531 1.415 30 10 HDEE C[C@]1(C#N)CN(C(=O)CCS(=O)(=O)c2cccc(Br)c2)CCO1 1538538348 UGKKXOMAWJMLNB-HNNXBMFYSA-N 401.282 1.754 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CC)n2C[C@@H]2NC(=O)CC2(C)C)c1 1539043257 OLFOKNNXQGARGS-KRWDZBQOSA-N 408.506 1.811 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](c2cnn(C)c2)C1 1539118615 CAVNCMFZEAMVJQ-HZPDHXFCSA-N 402.524 1.321 30 10 HDEE C#CCN(C)c1nnc(-c2ccc[nH]2)n1CCNS(=O)(=O)c1ccc(C)s1 1539168222 SMIFOXRCZSQTKA-UHFFFAOYSA-N 404.521 1.691 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1539176031 FXCRMMVFVFYUPM-KRWDZBQOSA-N 403.508 1.546 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)CC)[C@@H]1CCS(=O)(=O)C1 1539211501 MSHIAYVMURZILZ-YLJYHZDGSA-N 402.520 1.733 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)C 1539384402 GYKZTWZXUMTYMD-UHFFFAOYSA-N 400.458 1.283 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](CC(N)=O)C1 1539626738 GEZNTNVWAMIBMP-BXWFABGCSA-N 411.510 1.808 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1539643776 NJYWEYWMLGONKH-BPAFIMBUSA-N 402.474 1.824 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(C)=O)C1 1539915492 BEPUZIMWYKGVJW-IAGOWNOFSA-N 423.583 1.887 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1539976629 AZQHZCZDKPJERM-UHFFFAOYSA-N 411.510 1.740 30 10 HDEE CC(=O)N1CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1 1540579381 ULFBYMCTMBJTKX-BQIYRTECSA-N 404.511 1.854 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@](C)(OC)C1 1540861764 FPVVKMGKSNRUAW-HXUWFJFHSA-N 413.482 1.233 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H]2CCC[C@@]1(C)C2 1540862324 YTSXRDKTVPGZFT-VFNWGFHPSA-N 409.494 1.997 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CC(=O)N(C)[C@@H](C)C1 1540866782 ZVJRZEZYERTFJV-LBPRGKRZSA-N 420.876 1.707 30 10 HDEE CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1543829180 ODPVMFXHEWWDHS-QGZVFWFLSA-N 417.941 1.708 30 10 HDEE Cc1nc(O)nc(S)c1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1 1544463077 QOFJICLGBTVFIF-FYJGNVAPSA-N 421.504 1.844 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](C)[C@H](OC)c1ccc(F)cc1)c1cc[nH]n1 1546150653 UNFKEBKKNDTTES-XIKOKIGWSA-N 406.414 1.725 30 10 HDEE CCc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1546549051 FLOAYDZBWFPUHR-IBGZPJMESA-N 422.493 1.464 30 10 HDEE CN1CC[C@](O)(Cn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccc(C#N)cc2)C1 1554357521 GUVMJHKEFRVFAC-SIKLNZKXSA-N 410.522 1.747 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1C[C@H](C)O[C@H](C)C1 1555554935 CWIXOFWVNKUFMZ-BJWYYQGGSA-N 406.531 1.986 30 10 HDEE COCCOCCCn1c(-c2cccnc2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1555716094 MQSGCHJBDFLQIQ-LJQANCHMSA-N 411.510 1.570 30 10 HDEE C=CC[C@@]1(C(=O)N2CCO[C@H](CN3CCOCC3)C2)CCCN1C(=O)OC(C)(C)C 1557745075 FGPKSXSGLXUMDQ-GCJKJVERSA-N 423.554 1.892 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)[C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1558110334 NWZJFAHSFWPWFS-AOIWGVFYSA-N 410.536 1.377 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cnc(Cc4ccc(F)cc4)s3)C2)c(=O)nc1O 1558805618 RQVOGUZOWXAYIN-UHFFFAOYSA-N 411.418 1.704 30 10 HDEE COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(Cc2cncc(C#N)c2)CC1 1559626492 BGAKFEPIFNTVSG-UHFFFAOYSA-N 418.475 1.456 30 10 HDEE CC(C)O[C@@]1(CNC(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOC1 1564546939 COMQYAUNDOOLRY-GHTZIAJQSA-N 400.479 1.937 30 10 HDEE C[C@@]1(CO)CN(C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@]1(C)CO 1564547181 IBUNAUIHGQEALX-UIFIKXQLSA-N 400.479 1.076 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 1564847254 JMHZKFZBSACRBP-APWZRJJASA-N 402.543 1.363 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCOC[C@H]1OC 1587931785 DVAFTPYLTMETIM-SJLPKXTDSA-N 418.519 1.470 30 10 HDEE C#CCN(c1nnc(C)n1CCCn1cnc2ccccc21)[C@H]1CCS(=O)(=O)C1 1588035942 ZSWMAVPDGKKOMJ-KRWDZBQOSA-N 412.519 1.653 30 10 HDEE Cn1ncc(C2CCC2)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157535 BYEFOUWYULWTSJ-UHFFFAOYSA-N 413.503 1.706 30 10 HDEE COC(=O)c1sccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1588157625 DRDAXXBLPRXIFN-UHFFFAOYSA-N 419.484 1.553 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)NCC1CC1 1588159178 RHDYNAXXAPOVQP-UHFFFAOYSA-N 400.486 1.880 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(-c3cccc(C)c3)n2C)CC1 1588199169 IGXTZEZYYFXHID-UHFFFAOYSA-N 400.504 1.226 30 10 HDEE N#Cc1n[nH]cc1NC(=O)CNC(=O)Cn1ccc2ccc(Br)cc21 1588215726 YFZDHMBXPKXNPV-UHFFFAOYSA-N 401.224 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CC[C@@H]1COCCO1 1588595262 QQWVUPWHCOIDHK-GOSISDBHSA-N 415.450 1.745 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCCN2CCOCC2)CC1 1594097161 MVDRMFROFOXDBZ-SFHVURJKSA-N 423.583 1.449 30 10 HDEE C=CCN(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCCN(C(C)=O)C1 1594948446 GKMRDNJCDPSGPF-OAHLLOKOSA-N 400.483 1.887 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)CC)nnc1N1CCN(c2ncc(F)cn2)CC1 1595475218 BSMPMMOMFSXWDV-CQSZACIVSA-N 402.478 1.350 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccccn3)n2CCN2CCOC[C@@H]2C)C1 1595738448 POBQZHWDPQMBSI-AZUAARDMSA-N 412.538 1.766 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccsc3)n2C[C@@]2(O)CCN(C)C2)C1 1595738796 VDNNUPWLBFCNHB-FXAWDEMLSA-N 403.552 1.778 30 10 HDEE N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)cc1 1596071523 IIVWLECXDKTFQI-FCHUYYIVSA-N 405.502 1.939 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCN(c2nc(C)cc(O)n2)CC1 1596355197 MCJYBKIGGLRCBU-UHFFFAOYSA-N 411.462 1.879 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N3CCO[C@H](c4ccc(C#N)cc4)C3)cc2=O)n1 1598185093 IAPUFBKUDMWYIX-SFHVURJKSA-N 404.430 1.658 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(C#N)cc2)n1CCN1CCOC[C@@H]1C 1619910287 CRZCXRAUELRORO-SFHVURJKSA-N 423.521 1.904 30 10 HDEE CN(C[C@H](O)COc1ccc(CC#N)cc1)C[C@H](O)CN(C)C(=O)OC(C)(C)C 1620502558 HXNJRBSCJMZEPT-ROUUACIJSA-N 407.511 1.652 30 10 HDEE N#C[C@H](CO)NC(=O)[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccccc1 1624091048 OVMQZFIPGVZYNW-AEFFLSMTSA-N 416.275 1.850 30 10 HDEE CN1C(=O)C[C@H](NC(=O)[C@H]2c3ccc(C#N)cc3CCN2C(=O)OC(C)(C)C)C1=O 1626121820 ZJMMYOWCTWAOOI-DOTOQJQBSA-N 412.446 1.266 30 10 HDEE CC(C)(C)OC(=O)Nc1ccc(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)nc1 1626655974 OXFGHRZSRLPXFM-SGTLLEGYSA-N 406.464 1.439 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@]2(C)C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 1627417939 XWAGQGSDESXTJN-LIRRHRJNSA-N 409.483 1.754 30 10 HDEE CC(=O)Nc1ccc(N2C[C@H](C(=O)Nc3nc4n(c3C#N)CCOC4)CC2=O)cc1 1627627962 GSSJWSWPWZNXRK-CYBMUJFWSA-N 408.418 1.235 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@@](C(N)=O)(c3ccccc3)C2)c1 1629970806 NKWZNPAHJISIBU-QFIPXVFZSA-N 410.495 1.753 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCOc2cc(Cl)ccc2Cl)CC1 1632960914 QWAGJPSNRFAYIE-UHFFFAOYSA-N 420.318 1.374 30 10 HDEE C#CCN(C(=O)[C@@H]1OCCN(C)C1=O)[C@H]1CCOc2ccc(Br)cc21 1633714332 SHIZDXAFJZVYFP-GOEBONIOSA-N 407.264 1.592 30 10 HDEE CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(C(=O)c3coc(C#N)c3)C2)C(=O)C1 1634470942 SZZQTNMQIXNIIZ-HNNXBMFYSA-N 402.451 1.835 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1c2ccccc2OC[C@@H]1F 1634544970 CDZMXYCEBDIBCK-IWEFOYFVSA-N 403.435 1.813 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C(=O)OCC)[C@@H](O)c1ccncc1 1634775825 FQQUSVFKAZYJCC-BBWFWOEESA-N 419.478 1.470 30 10 HDEE N#CC1(NC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)CCSCC1 1636414110 RTUOJSXQKRBMJQ-UHFFFAOYSA-N 407.439 1.889 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C2(NC(=O)c3c(C)nn(C)c3C)CCCC2)CC1 1636469828 XCYABWBRHUBHNU-UHFFFAOYSA-N 415.494 1.385 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccccc2N(C)c2ccccc2)CC1 1636475825 YQEFVWMZYHLURD-UHFFFAOYSA-N 412.515 1.680 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OC(F)(F)O3)cc1 1638804250 SSZUWRQBNGEQMG-UHFFFAOYSA-N 408.382 1.850 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C[C@](O)(c2nc(C)cs2)C(F)(F)F)CC1 1640588179 GJRSQIXCFJIBES-HNNXBMFYSA-N 405.398 1.897 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)C[C@@](O)(c2nc(C)cs2)C(F)(F)F)CC1 1640588180 GJRSQIXCFJIBES-OAHLLOKOSA-N 405.398 1.897 30 10 HDEE N#Cc1ccc(C2(NC(=O)Cc3ccc(S(N)(=O)=O)s3)CCOCC2)cc1 1642632582 DENFEAYCSIACTC-UHFFFAOYSA-N 405.501 1.632 30 10 HDEE CNC(=O)NC[C@@H]1CN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CCO1 1643861977 YOHRRPDKKVDPTM-UONOGXRCSA-N 419.551 1.703 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cnn(-c3ccccc3)c2C(C)C)CC1 1644281767 KHWLFVKCGWDOOC-UHFFFAOYSA-N 415.519 1.221 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2c2cnn(C)c2)cc1 1644604750 XITBHQRQXRZLLA-IBGZPJMESA-N 401.488 1.824 30 10 HDEE C#CCN1CCN(C(=O)CN2CC[C@@]3(C2)CN(Cc2ccccc2)C[C@@H](C)O3)CC1 1648152107 SLJXWHRPLVPHOL-ZJSXRUAMSA-N 410.562 1.129 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CCNC(=O)O3)CC2)CC1 1648490747 ZSMZMPYMXHISNF-INIZCTEOSA-N 417.535 1.421 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H]2c3ccccc3OC[C@H]2CO)ccc1F 1648565940 WUDNZMIOBDKGNQ-AUUYWEPGSA-N 420.462 1.762 30 10 HDEE Cn1cc([C@@H]2CS(=O)(=O)CCCN2CCC(=O)Nc2cccc(C#N)c2)cn1 1655596615 XVTYIOBSLBESPX-SFHVURJKSA-N 401.492 1.482 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cccc3c(Cl)ccnc23)CC1 1661769669 DLKPLDDVBOOALZ-UHFFFAOYSA-N 420.922 1.334 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCN(C3CCC3)C2=O)nn(-c2ccccc2)c1N 1674930585 YXNCKBMJPOKNCY-IBGZPJMESA-N 421.505 1.711 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H]3CCN(c4ccc(Cl)cc4)C3)C2)c(=O)nc1O 1679523791 XULYYBYGNNUQPE-AWEZNQCLSA-N 414.853 1.319 30 10 HDEE Cn1cc(I)c(CNC(=O)NCC2(C#N)CCOCC2)n1 1682501133 SANUBUHKHOPLEU-UHFFFAOYSA-N 403.224 1.144 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(Cl)c2)n1C[C@]1(O)CCS(=O)(=O)C1 1689833646 OCIWWTQNQHLLRM-FZKQIMNGSA-N 408.911 1.606 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccc2F)n1CCN1CCN(C(C)=O)CC1 1689854533 CBAZDUDGYXGYNT-KRWDZBQOSA-N 412.513 1.630 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1689866751 JZUGIWHPXSAUED-NVXWUHKLSA-N 417.535 1.886 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCCCS(C)(=O)=O 1690188784 PCWGNRJBQGOBPY-LJQANCHMSA-N 409.556 1.623 30 10 HDEE C=C1CCN(c2nnc(COCC)n2CCc2ccc(S(N)(=O)=O)cc2)CC1 1690384318 MYRVMQWJOYBTBB-UHFFFAOYSA-N 405.524 1.861 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(OC)nc1 1690609161 FTKNCMUIWUYYPX-UHFFFAOYSA-N 400.483 1.605 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1690667908 LWXQHAFGQLBQCO-UHFFFAOYSA-N 410.400 1.923 30 10 HDEE C=CCOc1ccccc1Cn1c(C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1690682536 RLBWKANCMWQBDU-HNNXBMFYSA-N 405.524 1.670 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690993299 HZKIYVCXGCQGAR-LHSJRXKWSA-N 422.493 1.532 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2nccs2)C1 1692851883 HEYBCABWESIVAU-SUMWQHHRSA-N 406.537 1.815 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H](C)N1CCOCC1 1694313984 AFACGMOVFKOYEW-MRXNPFEDSA-N 417.558 1.657 30 10 HDEE CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)C1 1697654708 GTUDTZKKRQUZNY-GXTWGEPZSA-N 408.484 1.016 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1CCC(OC)CC1 1698172074 UKXXLHXENKWRLN-CPFNUKBASA-N 407.515 1.936 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CC2(C(N)=O)CCCC2)c1 1698485567 HXEGUXWBZVLLFX-UHFFFAOYSA-N 407.478 1.189 30 10 HDEE C#CCCCCn1c(N2CC[C@@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1705522273 ZJTLNEGMWLAMIY-NHCUHLMSSA-N 403.527 1.696 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCc2ccc(S(C)(=O)=O)cc2)CC1 1705633389 PXJQJUGQDSLDBS-UHFFFAOYSA-N 415.563 1.803 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H]2CCCN2CC)CC1 1705642536 WZDXTVZWKYEGLW-HXUWFJFHSA-N 410.570 1.379 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1705890393 NTSBPNQZWONBKZ-HOTGVXAUSA-N 410.540 1.388 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CCNC(=O)c2ccco2)C1 1705922154 HIIRBUGYFZTPEG-OAHLLOKOSA-N 409.450 1.539 30 10 HDEE C[C@@H]1COCCN1CCn1c(Cc2cn3ccccc3n2)nnc1N(C)[C@H](C)CC#N 1708264395 HNBMXDZXLPJYRW-QZTJIDSGSA-N 422.537 1.976 30 10 HDEE CC[C@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1709263693 HDZSZUYBYPIORD-LZICOFPGSA-N 424.509 1.831 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CC(=O)NCc2ccco2)CCOC1 1710418020 VGYFNSVWSSJZTQ-MGPUTAFESA-N 416.482 1.578 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(CC2CC2)n1CCC[C@@H]1NC(=O)NC1=O 1711073998 PIQDCJDHADIBAD-KRWDZBQOSA-N 407.478 1.727 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1712541362 BCMKQNFTGVGYMO-YZLZLFLDSA-N 407.515 1.672 30 10 HDEE CS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCC(C#N)CC1 1712701108 BABVLCRMERGKKN-UHFFFAOYSA-N 409.462 1.932 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC[C@@H]2NC(=O)NC2=O)cc1 1712879672 JCKPLJJYPLBEOV-MGPUTAFESA-N 422.424 1.247 30 10 HDEE N#CC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CSCCS2)CC1 1712882835 HCUKBJSLYMOSHU-OAHLLOKOSA-N 406.581 1.989 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1722341875 FOAKADASQLRYBK-CVEARBPZSA-N 416.551 1.409 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCN2CCCCC2=O)CC1 1722437955 XNDXIBUJTPXOLK-LJQANCHMSA-N 414.554 1.330 30 10 HDEE C=C(C)COCCn1c(N2CC[C@](C)(C(N)=O)C2)nnc1[C@]1(OC(C)C)CCOC1 1722536858 RGEYRMUYNVWPBJ-SFTDATJTSA-N 421.542 1.613 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C)C(=O)[C@@H]1C 1722581142 AXCOEAOEQQBPFX-KGLIPLIRSA-N 412.560 1.158 30 10 HDEE C=CCCCn1c(-c2cnccn2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1722614240 HCMWAKSCQIERBJ-UHFFFAOYSA-N 405.528 1.467 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCOCC1)C(C)C 1722665515 MWLONYKUCWCGFQ-ROUUACIJSA-N 402.543 1.764 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CCN(CC)[C@H](C)C1 1722725155 HKNAOIVIWPAVOK-MRXNPFEDSA-N 404.540 1.471 30 10 HDEE CC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC[C@H]2COCCO2)C1 1722814851 NAAYVLNHKZFKEO-PMACEKPBSA-N 424.505 1.727 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCOc1ccc(F)c(F)c1 1723619766 CHHPJDQDDKSYIX-AWEZNQCLSA-N 420.420 1.502 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCN(CC)CC1 1740598761 CIPIZESXSRHYNY-UHFFFAOYSA-N 410.526 1.022 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](COC)OC 1740677241 RWZKJXOQBKWKCB-MSOLQXFVSA-N 415.469 1.670 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CC[C@@H](COC)C1 1740763520 MBFYJTZHRWRQEO-HLIPFELVSA-N 403.527 1.854 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1)C1CC1 1740909957 DZHWBMADLBNRHY-DLBZAZTESA-N 421.567 1.594 30 10 HDEE CC(=O)NCCCn1c(-c2cccc(C)n2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1741123332 UGWYQTXEIRKWMV-GOSISDBHSA-N 408.510 1.351 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@H]1CC[C@H](CO)O1 1744052186 YSXUBRORGOTGAV-QMTMVMCOSA-N 408.478 1.178 30 10 HDEE CCOCc1nnc(N2CCC(F)(F)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747113241 KPYBAQLJAABGTR-FOCLMDBBSA-N 410.425 1.577 30 10 HDEE CN(C)C(=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCO[C@H](C#N)C1 1747538060 DGUXXORCRNGCIV-MRXNPFEDSA-N 418.885 1.718 30 10 HDEE CNS(=O)(=O)CCn1c(-c2c[nH]c3ccccc23)nnc1N1CC[C@](F)(C#N)C1 1748293937 CEKSNYMWZKDUBP-SFHVURJKSA-N 417.470 1.418 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCOC3)n2CC(=O)NCCC)c1 1748692932 SOEOHCRTAAVIFL-QGZVFWFLSA-N 424.505 1.364 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1748708023 RUSTUINESXDECY-KRWDZBQOSA-N 407.478 1.616 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(-n2cccn2)cc1 1748772888 QGTIJYKPUPJSFE-HNNXBMFYSA-N 413.507 1.192 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)[C@H](C)CC 1748892721 WBKJZBCIRGGGAS-KURKYZTESA-N 406.552 1.704 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2CCc2n[nH]c(C)n2)CC1 1748979730 KIJPXDOSZBBBIP-UHFFFAOYSA-N 406.494 1.378 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCCC(=O)N(C)C)CC1 1748992818 HCCVEAQILUNVCM-UHFFFAOYSA-N 412.513 1.632 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CCCOCC)CC1 1749010620 UDPLWAYOLAHQJK-GOSISDBHSA-N 403.527 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC2CCN(C(C)=O)CC2)CC1 1749015157 UIFDJZZSJUXOIF-UHFFFAOYSA-N 400.527 1.065 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCOC2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749367189 RNHMYUZKEILCRY-CVEARBPZSA-N 411.572 1.902 30 10 HDEE C=CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1749634668 FWJCEOZUIDYGLM-UHFFFAOYSA-N 422.537 1.349 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCCCO)CC1 1750837358 FDBSBVIAUMEUOH-UHFFFAOYSA-N 412.538 1.994 30 10 HDEE C[C@H](CC#N)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCN(C)C(=O)OC(C)(C)C 1751094197 GCBFDWZIEZYNTP-KGLIPLIRSA-N 405.503 1.834 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1752249784 LAOLELSTRACGNB-PBHICJAKSA-N 423.477 1.563 30 10 HDEE C#CCN1CCC(C(=O)N2C[C@@H](C)[C@H](CCNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1757662599 YEOYWYXDUDWNOT-FWQIABLWSA-N 413.562 1.356 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)OCCO2 1760174669 GZLTWWIBCNXIIE-HNNXBMFYSA-N 402.476 1.069 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2C[C@@H]2CCn3ccnc3C2)n1 1760252238 LNGMWGUYWMRQCM-GOSISDBHSA-N 408.510 1.528 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2CCCCN2CCN(CC)CC2)CC1 1760253810 JUTGYSDRYKXJMN-NRFANRHFSA-N 415.630 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2CCCN2CCCCC2=O)CC1 1760259155 HBAMBVBBTSTOQK-IBGZPJMESA-N 414.554 1.678 30 10 HDEE C#CCSCCn1c([C@H]2CCCO2)nnc1N1CCN(c2cnn(C)c2)CC1 1760287178 IXDDDKXZMAKZCD-QGZVFWFLSA-N 401.540 1.556 30 10 HDEE C=C1CCN(c2nnc(CCOc3ccccc3)n2CCS(=O)(=O)N(C)C)CC1 1760391506 FZTCLACVNOIOBM-UHFFFAOYSA-N 419.551 1.947 30 10 HDEE C=C1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1760391529 GUDGECITXPUHNF-GOSISDBHSA-N 400.527 1.815 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 1760438624 KXHNXWUQWWTPQC-QGZVFWFLSA-N 417.558 1.186 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)COC)CC1 1760448864 RUWUTIMLPFWTHU-UHFFFAOYSA-N 400.483 1.228 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCC(C(=O)N2CCCC2)CC1 1760522643 YBZOAYTUDQSDRR-UHFFFAOYSA-N 402.543 1.618 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2CCC2(O)CCOCC2)CCOC1 1761273811 IAKXXFRYYFPCNG-DYESRHJHSA-N 421.542 1.989 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(N2CCOCC2)c1 1761359881 BQVNGMLMMHVALF-QFBILLFUSA-N 423.521 1.852 30 10 HDEE COC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCC[C@@H]2NC(=O)NC2=O)C1 1769738797 WEZMFTWZRGMBBQ-HNNXBMFYSA-N 409.450 1.030 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCCOC[C@@H]2CCOC2)cc1 1771531941 JMMGRCPOBWNGSZ-HKUYNNGSSA-N 424.505 1.572 30 10 HDEE COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCC#Cc2cccnc2)cc1 1850152999 WPIHWKUUTITHBO-HXUWFJFHSA-N 413.499 1.801 30 10 HDEE CC(=O)N1CCN(CC(=O)Nc2c(-c3ccccc3)cnc3c(C#N)cnn23)CC1 1851249241 BLPLSRUHQBLZTB-UHFFFAOYSA-N 403.446 1.371 30 10 HDEE Cn1nc(-c2cnccn2)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1852759985 KXDPRQXOQDUZGV-UHFFFAOYSA-N 418.461 1.123 30 10 HDEE Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)NCC4(C#N)CCOCC4)ncn3n2)c1 1852847180 NDLXHUQDGOIBHB-UHFFFAOYSA-N 420.473 1.611 30 10 HDEE C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1nc(N2CCN(C)CC2)c(C#N)cc1C#N 1853053945 HPXNLUDKEMBFBF-AUUYWEPGSA-N 418.457 1.744 30 10 HDEE C=CCCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1=O 1853842861 PFTHHCCQFZJLDF-UHFFFAOYSA-N 419.503 1.311 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C(=O)C2)C1 1854393677 OHSMKDLJWXVLGB-SFHVURJKSA-N 401.511 1.024 30 10 HDEE Cc1cccc(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCCC3)C2=O)c1 1854401150 JPWOANWFLLWGSY-UHFFFAOYSA-N 403.504 1.765 30 10 HDEE C[C@@H](CCC#N)N1CCN(C(=O)c2ccc(-n3cccn3)nn2)C(=O)C12CCCC2 1854520236 KMKOCAUILINQIQ-INIZCTEOSA-N 407.478 1.952 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2cccc(C#N)c2)CCN1S(=O)(=O)c1ccc(F)cc1 1854663634 ONNKROAEAFPEKM-ZDUSSCGKSA-N 401.419 1.759 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCN(C(=O)Cn3cccc3)C2=O)CC1 1854862017 FGAZMZNGTBRUPK-LJQANCHMSA-N 407.474 1.673 30 10 HDEE CCn1ncc(C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)c1C(F)(F)F 1855008778 FZTJHWBBIKHJBD-ZDUSSCGKSA-N 412.416 1.194 30 10 HDEE Cc1ccc(=O)n([C@@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3F)[C@H](C)C2=O)n1 1855012371 GBSCKSQDGOMFAS-CABCVRRESA-N 411.437 1.383 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)CC(F)(F)OCC)CCC2=O)CC1=O 1855590012 ASFHLGDXLSBJJW-HUUCEWRRSA-N 401.454 1.347 30 10 HDEE COc1ccc(C(=O)N2CC[C@@H](N3CCC(C#N)(c4ccccc4)CC3)C2=O)nn1 1857307946 XRGVNDMAKKVOFL-GOSISDBHSA-N 405.458 1.784 30 10 HDEE O=C(NCCO)[C@H](CSCc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931713 FQJKWVIWXPICIL-INIZCTEOSA-N 419.528 1.136 30 10 HDEE C=CCOc1cn(CCCCN(CC)CC)c(CN2CCN(CCO)CC2)cc1=O 1870387087 POZUVHNQVONKHX-UHFFFAOYSA-N 420.598 1.645 30 10 HDEE C=CCn1cc(OCC(=O)N2CCOCC2)c(=O)cc1CN1C[C@H](C)C[C@@H](C)C1 1870582001 NGSLRFPBYCXAEY-QZTJIDSGSA-N 403.523 1.750 30 10 HDEE C=CCn1c(C(=O)NCCCO)cc2c(N3CCN(C(=O)OCC)CC3)ncnc21 1873593084 DTAVVRCEAYWYFT-UHFFFAOYSA-N 416.482 1.008 30 10 HDEE CCCCOc1ccc(/C=N/n2c(CNC(C)=O)nnc2SCC(N)=O)cc1 1874432546 LIAZQXSXJSIQEU-UFFVCSGVSA-N 404.496 1.553 30 10 HDEE COCc1nnc(SCC(N)=O)n1/N=C/c1cc(Br)ccc1O 1874499290 MLJAKLSXXGAWCH-FZSIALSZSA-N 400.258 1.352 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(C#N)cc3)CC2)CC1 1889394543 DHDYEDPEDNGOKK-UHFFFAOYSA-N 408.546 1.749 30 10 HDEE Cc1nc(-c2ccc(S(=O)(=O)N(C)C3CN(c4nccnc4C#N)C3)cc2)co1 1891707133 AAJUXWJSSUJYDW-UHFFFAOYSA-N 410.459 1.821 30 10 HDEE C[C@H](C#CC(=O)N[C@]1(C(=O)O)CCN(Cc2ccccc2)C1)NC(=O)OC(C)(C)C 1901976352 NQSNHBXPCXIGNL-OPAMFIHVSA-N 415.490 1.749 30 10 HDEE C[C@]1(NS(=O)(=O)N2CCC[C@H](C#N)C2)CCN(C(=O)OCc2ccccc2)C1 2054408923 XACWMWUTLGEJOS-MJGOQNOKSA-N 406.508 1.858 30 10 HDEE C=CC1(O)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 2074503460 ZSIPSTSFFYCLJD-UHFFFAOYSA-N 406.504 1.652 30 10 HDEE C[C@H](C[S@](C)(=O)=NS(=O)(=O)N1CCC(C#N)CC1)NC(=O)OC(C)(C)C 2118166550 JXZYJRKXJHXRGK-YDBLSZJJSA-N 408.546 1.478 30 10 HDEE CN(Cc1csc(C#CCN)c1)S(=O)(=O)N1CC(OCc2ccccc2)C1 2161946593 FYBHHLJIGAEHRV-UHFFFAOYSA-N 405.545 1.636 30 10 HDEE C#CCN(C(=O)C(C)(C)CCCNC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 2180117846 PIZYOUJZTDPDPH-OAHLLOKOSA-N 400.541 1.966 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCC[C@@H]1CS(N)(=O)=O 2181110165 LPUJFYPDCOYTAL-KGLIPLIRSA-N 402.517 1.243 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](CO)(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 2190124178 YTKUGGGJMQWFDX-QGZVFWFLSA-N 415.899 1.862 30 10 HDEE C=CC1(NS(=O)(=O)CCC(F)(F)C(=O)OCC)CN(C(=O)OC(C)(C)C)C1 2196121572 CXFXTRQHWPHZHR-UHFFFAOYSA-N 412.455 1.670 30 10 HDEE C=CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC1(CO)CCS(=O)(=O)CC1 2199807731 WTYYUKQNVWNUKQ-CQSZACIVSA-N 404.529 1.149 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2217454216 RRKGORCQCDPDNO-LSDHHAIUSA-N 419.331 1.845 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NOCc2ccccc2)OC1(C)C 2241481142 RNWMZUKBYOYYHT-UHFFFAOYSA-N 410.326 1.994 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2243393073 MIOSSWOVKSOYCM-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@](CO)(NC(=O)[C@H]2C[C@@H]2B2OC(C)(C)C(C)(C)O2)C1 2243432172 VNKPNWYADGFPLP-YRVVQQKDSA-N 410.320 1.957 30 10 HDEE C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247915732 ISDNOGBYNPVTHG-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC3OCCO3)ccc2Cl)OC1(C)C 2247985509 IPOMJYJQVMXZFW-UHFFFAOYSA-N 403.693 1.290 30 10 HDEE C[S@](=O)CCCCNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267379699 UAHQUNBNJUAYAO-DEOSSOPVSA-N 407.388 1.484 30 10 HDEE C[C@H](N)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2267465658 YFDKHRVRUWAOFY-VIFPVBQESA-N 409.144 1.918 30 10 HDEE CSC[C@@H](C)N(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2267702204 CGGJFJGESIYTHM-LLVKDONJSA-N 406.404 1.955 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H](O)C(F)(F)F)c2)OC1(C)C 2267714544 YCPWPIICWSIBMC-SECBINFHSA-N 401.237 1.249 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CC(CS(C)(=O)=O)C3)c2Cl)OC1(C)C 2281942515 JTPYOWURQHEQLL-UHFFFAOYSA-N 419.761 1.817 30 10 HDEE COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCC2(C1)OCCO2 2282052637 BJTBHHVNXNIAEK-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCCC1(N)CC1 2282326415 RXZSOKGVLMNKOD-UHFFFAOYSA-N 400.375 1.906 30 10 HDEE COCC[C@@H](COC)NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282328733 BYTPKEMOOZWRAG-LBPRGKRZSA-N 405.347 1.377 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H](C)CN1C 2282329928 STAIMYFFLQLHJE-CHWSQXEVSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N=[S@@](C)(=O)[C@H]2CCNC2)OC1(C)C 2282331066 JBJCWAKJRLMLRC-FTJNGKRUSA-N 420.387 1.196 30 10 HDEE C[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCC[C@@H]1O 2282337906 KHKIICCDYZRQPT-SCRDCRAPSA-N 401.359 1.875 30 10 HDEE COCC[C@@](C)(O)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282343696 GXINSYNZYYQZME-MRXNPFEDSA-N 405.347 1.113 30 10 HDEE COc1cc(CNS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)sn1 2282346016 SPEWGOPJGOPWEE-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCO[C@H]2CC2(F)F)OC1(C)C 2282492622 RZUOPBRNWDXVLG-LBPRGKRZSA-N 409.285 1.750 30 10 HDEE CC(C)(O)[C@H]1CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282501998 FFGXGNRPIUEQNG-CYBMUJFWSA-N 401.359 1.722 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2282524321 BMLPXKQIRAOECT-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@@H]2CCCCC23OCCO3)n1 2282589393 NGLPZAQGQMSQKP-OAHLLOKOSA-N 405.304 1.618 30 10 HDEE CNC(=O)NCCCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1 2282626173 AMBIJSMMPVGRPG-UHFFFAOYSA-N 401.725 1.750 30 10 HDEE C[C@@H]1CCS[C@@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830339 SDDCCGNOHZMIEL-DGCLKSJQSA-N 401.363 1.139 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1S(=O)(=O)NC[C@H]1CCCSC1 2282852013 KGWLNBIFKUUHDK-GFCCVEGCSA-N 401.363 1.141 30 10 HDEE C[C@H]1CNC[C@H](C)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282854335 QHGONIYRDPTREW-STQMWFEESA-N 400.375 1.666 30 10 HDEE CCN(CC)C1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282857341 GYDNDJVTZKPRJQ-UHFFFAOYSA-N 400.375 1.762 30 10 HDEE C[C@H]1C[C@@H](O)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876583 GAOPJDWKWZDVOH-GXTWGEPZSA-N 401.359 1.580 30 10 HDEE C[C@@H]1CO[C@@H](CNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282876938 KRYPXGZSSRREAE-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE CC1(C)COC[C@@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282881726 BIGSYYSPCKTPIV-ZDUSSCGKSA-N 401.359 1.892 30 10 HDEE CC1(C)OB(c2ccc(O)c(C(=O)N3CCC[C@H](C4OCCO4)C3)c2)OC1(C)C 2282975310 MGVJGQQAZCNBTE-AWEZNQCLSA-N 403.284 1.917 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H](C)CC(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284414600 RTNZEPVLQMCCLF-SNVBAGLBSA-N 403.331 1.745 30 10 HDEE C[C@]12C[C@H](O)[C@](CCO)(O1)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@@H]12 2295063958 BPJNTBUSZBJIOJ-HFGWPOCOSA-N 410.348 1.357 30 10 HDEE CS(=O)(=O)C1(C#C[C@H](N)[C@]2(O)CC[C@@H]2NC(=O)OCc2ccccc2)CCC1 2319397984 MCWZRAFYRPDHGF-ABSDTBQOSA-N 406.504 1.104 30 10 HDEE CN[C@H](C#CC1(SC)CC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2336207664 YYFKIRQMQKEZOC-CABCVRRESA-N 402.582 1.898 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)c1cc(I)sn1 2341990079 LMVCZUKQANWWHD-VIFPVBQESA-N 410.302 1.979 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)C1(NC(=O)OC(C)(C)C)CCOCC1 2365202273 NKYSDWDZNHZOEZ-HNNXBMFYSA-N 402.557 1.865 30 10 HDEE COCCn1cc(C#C[C@H](N)[C@]2(O)CCCN(C(=O)OCc3ccccc3)C2)cn1 2365963215 YJJCTPIPUGKDKD-UNMCSNQZSA-N 412.490 1.372 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 2367786303 IAFCYXYYYJADMH-PMPSAXMXSA-N 400.541 1.617 30 10 HDEE COC1([C@@H](NC(=O)OC(C)(C)C)[C@H](O)C#CC2(S(C)(=O)=O)CC2)CCCC1 2367799708 CMDFCJBVPIFGCT-CABCVRRESA-N 401.525 1.780 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2367820358 QWPYIZXHCJTOLB-OWCLPIDISA-N 400.541 1.163 30 10 HDEE Cn1nc(Br)nc1[C@@H](O)[C@@H](N)C#Cc1ccccc1Br 2382062659 XVMKGNOHFIXQNQ-QWRGUYRKSA-N 400.074 1.753 30 10 HDEE C[C@@H](C(=O)Nc1cccc(N(CC(N)=O)Cc2ccccc2)c1)n1cnc(C#N)n1 409653117 PKADJRWMDLGAKR-HNNXBMFYSA-N 403.446 1.841 30 10 HDEE CCOC(=O)[C@](C)(NC(=O)c1ccc(C#N)c(C)n1)c1ccc(S(C)(=O)=O)cc1 431220965 IHSZOHABYVGXNR-HXUWFJFHSA-N 415.471 1.874 30 10 HDEE CN(CCNS(=O)(=O)c1ccc(F)c(C#N)c1)S(=O)(=O)c1ccc(F)cc1 435591863 IASNYNPSTQAQJT-UHFFFAOYSA-N 415.443 1.435 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)noc2C)C1 437475176 BIQWDLUJLNBQLO-BBWFWOEESA-N 411.524 1.790 30 10 HDEE CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)NCCOc3ccc(C#N)cc3)ccc2O1 443767152 YOSUPWORANJIAG-IBGZPJMESA-N 416.455 1.782 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@@H]3CSCN3C(=O)c3ccccc3)CC2)c1C#N 472665008 AWTDCYGWGWQYSA-SFHVURJKSA-N 424.530 1.464 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(F)c1 480706368 IGJOKOHXKYGWDG-FPOVZHCZSA-N 417.506 2.000 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1 489237827 GFNFKFFPGVDPLM-CQSZACIVSA-N 408.499 1.451 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC1 489835135 DOYDSFBGHUAHIB-FPOVZHCZSA-N 413.566 1.526 30 10 HDEE Cc1cc(C)nc(-n2nc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2C)n1 489901084 PTFOTSYWHSHOAM-MRXNPFEDSA-N 417.477 1.600 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccc(CS(C)(=O)=O)c3)cc2C1=O 501790640 DNMCHFNQABCPIY-UHFFFAOYSA-N 412.467 1.943 30 10 HDEE C[C@H]1CN(c2ccc(C(=O)N3CCN(c4ncccc4C#N)CC3)cn2)C[C@H](C)O1 507271197 VCXFCLZAHFCENV-IRXDYDNUSA-N 406.490 1.924 30 10 HDEE C=CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCS(=O)(=O)C(C)(C)C1 508884325 GVQNFDPMUXOTTR-UHFFFAOYSA-N 424.548 1.548 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)c1 513790077 RNUBFYLHJMTVLN-FQEVSTJZSA-N 411.439 1.562 30 10 HDEE COc1ccc(CN2C(=O)N[C@](C)(c3cccc(-n4cnnn4)c3)C2=O)cc1C#N 532619029 KWEBERRHNOYZTH-HXUWFJFHSA-N 403.402 1.510 30 10 HDEE CN1C(=O)C[C@H](NS(=O)(=O)c2ccc(C#N)nc2)[C@@H]1c1ccc(Cl)c(F)c1 533637018 IEONMRWILQJSOE-RDJZCZTQSA-N 408.842 1.996 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2nccs2)C1 549278056 QBDREJZJKAFQEB-OLZOCXBDSA-N 412.541 1.499 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)N3CCCN(S(=O)(=O)C4CC4)CC3)C2)c(F)c1 553237138 SKHRJMOAUKPWKS-INIZCTEOSA-N 420.510 1.550 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O 553844904 OSQBIKLMIFCXTD-HXUWFJFHSA-N 402.454 1.995 30 10 HDEE COCCNS(=O)(=O)c1ccc(NC(=O)NCc2ccc(C#N)c(OC)c2)cc1 558492287 VDOGTPLTPJBIGH-UHFFFAOYSA-N 418.475 1.813 30 10 HDEE N#CCCCS(=O)(=O)N1CCN(S(=O)(=O)CCCC#N)[C@@H]2CCCC[C@H]21 559158544 ZIFRXGOUYFTAFE-HZPDHXFCSA-N 402.542 1.182 30 10 HDEE C=C(C)Cn1c(C(=O)N2CCCC2)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1 563325869 NZQWEWFONCUTCW-OAHLLOKOSA-N 414.514 1.665 30 10 HDEE C=CCn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1C[C@H](C(N)=O)CC[C@H]1C 573168846 IWBDXYZPKKKPNB-HUUCEWRRSA-N 421.505 1.951 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC(=O)NCCc2c[nH]c3ccc(F)cc23)c1 573530125 LGBRTQVYNJXBSH-UHFFFAOYSA-N 400.435 1.816 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@@](=O)CC(=O)N[C@H](C)CC)nc1C 586304280 NUJWBNNGUMAIQO-SKVICXGVSA-N 401.510 1.396 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H](Cc2ccccc2)CN2CCOCC2)c(F)c1 586859985 OFNUQUATAPDUBK-FQEVSTJZSA-N 424.476 1.373 30 10 HDEE CN1C[C@@H]2CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@@H]3CCCO3)CCCC4)[C@@H]2C1 590011718 DWCFLBJZPLPCNR-XGHQBKJUSA-N 411.550 1.992 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2ccsc2NC(=O)c2ccco2)CC1 596940412 VDSQHGGTJASDQI-UHFFFAOYSA-N 402.476 1.653 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC1 603745716 CHEUOSQDUIBOIU-OAQYLSRUSA-N 420.517 1.686 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N3CCC[C@@H](C(=O)N4CCOCC4)C3)cc2)c1N 608924560 RJCCTCWUNRISMK-MRXNPFEDSA-N 408.462 1.037 30 10 HDEE CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2ccc(C#N)cc2F)c1 609255970 PQXKCMPOKOEDTN-UHFFFAOYSA-N 411.422 1.650 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCOc3ccc(OCC)cc32)CC1 681541762 RPGKVRUHYHRJDR-GOSISDBHSA-N 402.495 1.538 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)[C@H](CC1CCN(S(C)(=O)=O)CC1)NCC 691246892 VIDKBOLZDPSHLP-SJORKVTESA-N 401.573 1.943 30 10 HDEE C#CCN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H]1CCS(=O)(=O)C1 729330575 BJBGDBCEMLNYSF-HNNXBMFYSA-N 412.533 1.026 30 10 HDEE C#CCN(C(=O)CCC(=O)N1CCC(c2ccccc2)=N1)[C@@H]1CCS(=O)(=O)C1 729332008 SRSOFJFNKGXZBL-QGZVFWFLSA-N 401.488 1.052 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)CCCCC1 732152924 HJUFUXMZKXESEG-NXVVXOECSA-N 406.483 1.857 30 10 HDEE C[C@H]1CN(c2ccc(NC(=O)NCCN/C(O)=C3/N=CC=CC3=O)cc2)C[C@@H](C)O1 732429019 FJXDMSXBXDOELX-HFKSAQAGSA-N 413.478 1.948 30 10 HDEE N#Cc1c(F)cccc1N1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1 732465655 HLDZQGOMEDXZET-VHEBQXMUSA-N 412.425 1.055 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)s1 732649793 SCNMIHUOKFBZKS-JKSUJKDBSA-N 408.549 1.408 30 10 HDEE C#CCN(C(=O)[C@@H](C)NC(=O)c1cccc(Cl)c1Cl)[C@H]1CCS(=O)(=O)C1 733135745 JPTYAXMCZWIWOF-NEPJUHHUSA-N 417.314 1.761 30 10 HDEE C=CCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc2c(c1)OCO2 735224372 BEOVMGNLTWQNLE-MRXNPFEDSA-N 404.492 1.601 30 10 HDEE COC(=O)[C@@H](OC(=O)c1ccc(CCNS(C)(=O)=O)s1)c1ccc(C#N)cc1 740204264 MXIJLYRIGGAODD-INIZCTEOSA-N 422.484 1.783 30 10 HDEE COc1cccc(C(=O)COC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)c1 745495809 IVERDAARMAZSHR-CYBMUJFWSA-N 416.455 1.938 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2ccc(C#N)cc2C)C1=O 748416294 GEUUYPAJNNYKHD-QFIPXVFZSA-N 420.425 1.912 30 10 HDEE C[C@H](C#N)CN(CN1C(=O)N[C@](C)(c2cccc(N3CCOC3=O)c2)C1=O)C1CC1 753986781 BWBRSGFOLAJGMG-SPLOXXLWSA-N 411.462 1.992 30 10 HDEE CCCN(C(=O)[C@@H](C)ON=C(N)c1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 754277259 XEFSLHCZJXIISF-IUODEOHRSA-N 401.916 1.791 30 10 HDEE C[C@H](O)[C@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470328 GCGBVQWQAUYYDS-QKKBWIMNSA-N 422.437 1.479 30 10 HDEE CC#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)S/C1=N/CCc1ccccn1 762510537 MFWRTQCUYIRQMD-OLRQPGBRSA-N 401.536 1.015 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)OCC(=O)NC[C@@H]1COc2ccccc2O1 780176969 QXWSHRHELDLOCY-SZNDQCEHSA-N 418.446 1.747 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(Cl)cc2F)c(=O)n1CCN1CCOCC1 782308170 ASWJDBDFOOBRQT-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE N#Cc1cnn2c(O)cc(COC(=O)[C@H]3CCN(c4ccc(F)c(F)c4)C3=O)nc12 783115131 GQQJSZOXKWGWOX-ZDUSSCGKSA-N 413.340 1.681 30 10 HDEE C=CC[C@@]1(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 790811290 RBASFVZCOFRKPY-BEFAXECRSA-N 415.556 1.730 30 10 HDEE Cc1c(C(=O)OCC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)ccn1C 798725122 KSEXTNJPLDUSRG-UHFFFAOYSA-N 423.429 1.959 30 10 HDEE COc1cc(Cl)c(S(=O)(=O)NC(=O)[C@@H](C)n2cnc(C#N)n2)cc1Cl 798863325 ZCKCFGGIQSXBQD-SSDOTTSWSA-N 404.235 1.531 30 10 HDEE COCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cc(OC)ncn2)CC1 802484195 GMUUEAGIFKZXLS-UHFFFAOYSA-N 420.477 1.588 30 10 HDEE CSC[C@@H](C(=O)OCCOC1(C#N)CCOCC1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 809085310 USCCQKOMOAKZAF-XHSDSOJGSA-N 424.519 1.526 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(c2nccc(N3CCOCC3)n2)CC1 852994931 DIHVEMKOPXVUMM-ROUUACIJSA-N 401.511 1.793 30 10 HDEE N#CC(C#N)=c1sc(=Cc2ccc(OC(F)F)cc2)c(=O)n1C[C@@H]1CCCO1 916196846 JHBADXSYYJNUIV-HNNXBMFYSA-N 403.410 1.717 30 10 HDEE CC(=NNc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(F)cc1 1083984721 LLFYKOUKASJPLV-UHFFFAOYSA-N 401.446 1.520 30 10 HDEE CC(C)(C)c1cc(NC(=O)CN2CCS(=O)(=O)CC2)n(-c2ccc(C#N)cc2)n1 1128824034 AVAWAUOESGJLGO-UHFFFAOYSA-N 415.519 1.710 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CC2)C1 1134301255 LVLINWQXYXXGMU-UHFFFAOYSA-N 404.488 1.949 30 10 HDEE CCN1C(=O)C[C@H](C(=O)N2CCN(c3ncccc3C#N)CC2)[C@H]1c1cccnc1 1136108129 ZXVXPWNRGRYNLK-AZUAARDMSA-N 404.474 1.607 30 10 HDEE CCOC(=O)[C@H](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCN2C)c1)C(C)=O 1141804431 YSFBIQRUQQEVDJ-WFOVFMPGSA-N 423.491 1.596 30 10 HDEE N#CCCN(C(=O)CCC(=O)N1CCN(CC(F)(F)CO)CC1)c1ccccc1 1143940011 RYYKAZCCJWLACE-UHFFFAOYSA-N 408.449 1.485 30 10 HDEE C=CCN1CCC(NC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 1144417497 AEXDVSYMVDFBSX-UHFFFAOYSA-N 413.565 1.274 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@]1(CO)CCc2ccccc21 1144669238 NIVVLASUOADLPR-VFNWGFHPSA-N 413.499 1.218 30 10 HDEE C[C@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)[C@@H]1CN(C)CCO1 1150039806 YCXFRMLTQAZGLP-SJCJKPOMSA-N 407.312 1.592 30 10 HDEE COCCOCCc1ncc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[nH]1 1153859660 VSBGHWSAMATZRN-DZGCQCFKSA-N 407.471 1.104 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2CCO[C@H](c3ccc(C#N)cc3)C2)cc1 1157529642 BUQRBGBFJIHKNV-FQEVSTJZSA-N 409.467 1.945 30 10 HDEE C#C[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3C(=O)OC)CC2)C1 1163599062 QQTJMFCZINHFSG-MRXNPFEDSA-N 418.515 1.746 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)Nc1ncn(C(C)C)n1 1164504001 PRAVXDJWQAUELD-CQSZACIVSA-N 404.496 1.951 30 10 HDEE N#Cc1ccc(OCC(=O)N2CCO[C@H](Cn3ccnn3)C2)cc1Br 1167396260 BHSCPZOZPJUDNF-AWEZNQCLSA-N 406.240 1.219 30 10 HDEE C=C[C@H](CO)NC(=O)[C@H](Cc1cccc(Br)c1)[C@H]1CCS(=O)(=O)C1 1167654798 SDYGTMWZHPEOSH-NUEKZKHPSA-N 416.337 1.706 30 10 HDEE Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N1C[C@H]3CS(=O)(=O)C[C@]3(C#N)C1)O2 1178757477 RGWVSWDLJBHZSG-JHVJFLLYSA-N 418.515 1.798 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@@H](Cc2nccs2)C1 1180384223 WQXNYEPNJONRNA-ZDUSSCGKSA-N 404.517 1.663 30 10 HDEE C=CCCc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(=O)OCC)CC2)cc1 1188426874 JYMAEIAYIMAYRB-UHFFFAOYSA-N 408.520 1.885 30 10 HDEE C#CCN(C(=O)N[C@H](C)[C@@H]1CN(C)CCO1)C1CCN(C(=O)OC(C)(C)C)CC1 1223654778 KWTOXQJZPMGWKW-AEFFLSMTSA-N 408.543 1.750 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 1230648187 IIADAQPGYZDFEE-INIZCTEOSA-N 424.498 1.223 30 10 HDEE C=CCn1cc(C(=O)NC2CCN([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)nn1 1273448240 DPIOYLDVPOJRJI-OAHLLOKOSA-N 417.535 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1cccc(OCC(=O)N(C)C)c1 1286412288 GJVBGRJEOZGUEW-UHFFFAOYSA-N 405.502 1.819 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@]1(O)CCO[C@@H]1C 1286423064 QIOPTHYKIHZHAU-QIJUGHKUSA-N 416.522 1.322 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1CCC1(O)CCC1 1286466621 KKPAUXZSHNCSGJ-UHFFFAOYSA-N 408.506 1.908 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(=O)NCC(F)(F)F 1286581107 FVMPUGVORZMEPT-LBPRGKRZSA-N 423.461 1.261 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1286782940 IGFRQJVILKRIDI-UHFFFAOYSA-N 419.445 1.684 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)c2cccc(C)c2)CC1 1286791593 XANOGPMHZGEJEX-UHFFFAOYSA-N 410.522 1.804 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCc3nccn3C2)C1 1286799365 VFBRZVUJGMGBDQ-SJORKVTESA-N 413.526 1.657 30 10 HDEE CC(C)Cc1nnc(N2CCS[C@H](C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1287505780 MYJZVRDNFYMOJA-IAFNSTAXSA-N 404.540 1.945 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCCOC[C@H]2CCOC2)n1 1289988115 GQQITVFSOFHWDY-MSOLQXFVSA-N 412.494 1.821 30 10 HDEE Cc1cc(CN2CCN(C(=O)c3cc(S(=O)(=O)CC#N)ccc3F)CC2)on1 1290402145 ZISONFLIWHSLBI-UHFFFAOYSA-N 406.439 1.377 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1291406078 SWIOMDLDHVSHIC-PZBISTMVSA-N 421.542 1.845 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCSC[C@H]3c3nn[nH]n3)CC2)c(F)c1 1296688970 IEQVOHVOHRTOQR-INIZCTEOSA-N 401.471 1.744 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H](C)CN1CCOCC1 1300455426 IVVFNEMBECZPAP-MRXNPFEDSA-N 421.505 1.632 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](c1ccccc1)N(C)C 1300631178 MWSFPYGLYFQZEH-MOPGFXCFSA-N 415.563 1.943 30 10 HDEE C#CCSCCn1c(COCC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 1300776877 ODDVTXZSNJOLAS-KRWDZBQOSA-N 404.540 1.591 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(NS(C)(=O)=O)CC1 1301182752 LJQGMXFDLDMXGW-UHFFFAOYSA-N 405.528 1.609 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCC2(CC1)C[C@H]2C(=O)NCC1CC1 1301568838 KXQKTOWVNBODMW-KRWDZBQOSA-N 421.567 1.320 30 10 HDEE COCCOC[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1302193978 IEYJXLFHMPXQEC-RHSMWYFYSA-N 414.466 1.231 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1nnc2c(=O)[nH]ccn12 1303589284 KQJVCTYMJYRPQT-ZDUSSCGKSA-N 405.418 1.659 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)n[nH]2)c1C 1304637808 CLFHJZVANJCJCE-CQSZACIVSA-N 408.466 1.580 30 10 HDEE COC(=O)c1ccc(N2CC[C@@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)c(C#N)n1 1307209492 CHURSUGTJLBWLO-FQEVSTJZSA-N 402.451 1.956 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C(=O)OCC 1309506794 HXAQUHVJSCTCAX-KRWDZBQOSA-N 410.492 1.335 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1309888964 DUSFUSXISWIMQP-UHFFFAOYSA-N 403.504 1.032 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCCO)CCOC1 1314134530 NWJYRAKLMPTYFY-WIYYLYMNSA-N 418.542 1.269 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3ccc[nH]3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1O 1316484243 DLEFNEJAZHNYBC-WAANLJNLSA-N 411.466 1.007 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(C(=O)OC)nn2-c2ccccc2)n1 1320975609 KDVKDMLVBARAFO-UHFFFAOYSA-N 421.457 1.777 30 10 HDEE COC[C@H](C#N)OC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1 1346310183 AKWHAMTYZFTJDK-KGLIPLIRSA-N 418.475 1.672 30 10 HDEE CN1CC[C@@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@@H](c2cnn(C)c2)C1 1346702227 JSGZOVJIOUKSNS-WOJBJXKFSA-N 407.522 1.507 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCCNC(=O)c1occc1C 1358991383 YDNMQPBPNAGQTP-UHFFFAOYSA-N 419.489 1.863 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC(=O)N1CCCCCC1 1358999859 FQSMRNMLYLMODR-MRXNPFEDSA-N 424.571 1.141 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccncc2)n1Cc1cccc(S(=O)(=O)NC)c1 1359011923 QXVUDEROJMYHBP-UHFFFAOYSA-N 424.530 1.680 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCCS1(=O)=O 1359062353 FCXXAOOMLDMODX-OXQOHEQNSA-N 419.551 1.474 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@@]1(C)CN(C)C1=O 1359065182 KCIASUWPXNIRID-NJDAHSKKSA-N 401.511 1.401 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCN(C(C)=O)CC1 1359211380 AXKUEIYPNSMKHY-UHFFFAOYSA-N 421.509 1.946 30 10 HDEE C=CCn1c(N2CCC3(CC2)NC(=O)N(C)C3=O)nnc1[C@]1(OC(C)C)CCOC1 1359290129 JOQQSBXACQEIBM-FQEVSTJZSA-N 418.498 1.025 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC(C)(C)C)n2CC2(C(N)=O)CCOCC2)C1 1359322153 QJVBNMMNZPBHGL-MRXNPFEDSA-N 405.543 1.930 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1360474760 VJRFYOLZSAJFNR-OAHLLOKOSA-N 415.498 1.466 30 10 HDEE C#CCN(C(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 1442017390 JXFOQMLWPZYDOH-KRWDZBQOSA-N 408.520 1.286 30 10 HDEE C[C@H]1CCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CCS1(=O)=O 1447651013 NEBFGCPIWQPGSD-LSDHHAIUSA-N 401.529 1.999 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)CC1 1448360847 XEHDSELMLXHLGL-UHFFFAOYSA-N 401.467 1.103 30 10 HDEE COC1(OC)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C[C@@H]1O 1452109683 BREJPERAYDWZRF-CJNGLKHVSA-N 407.854 1.147 30 10 HDEE N#Cc1cn(CC(=O)Nc2ccc(I)cc2F)c(=O)nc1O 1452998937 XJFALJKUNFKQNF-UHFFFAOYSA-N 414.134 1.203 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)N[C@H]2Cc3ccc(C#N)cc3C2)[C@H](C)O)cc1 1455035637 BDPMAHKFEBVUHJ-DCPHZVHLSA-N 413.499 1.178 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(C(C)C)cc(C(C)C)c2O)CC1 1455116247 WBEBOPLHEACPMB-UHFFFAOYSA-N 407.536 1.864 30 10 HDEE CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CCN(C2CN(C(=O)OC(C)(C)C)C2)CC1 1460943448 VKOZXVNXEYCSKW-HRAATJIYSA-N 407.559 1.666 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cc1OC 1463168865 QCFMGZZKOCUQAE-SMQNEPHISA-N 402.472 1.670 30 10 HDEE N#C[C@H](c1cccc(Cl)c1)N1CCN(C(=O)c2cn([C@@H]3CC[C@H]3O)nn2)CC1 1467699056 BSQGYBFQVHWUEK-KZNAEPCWSA-N 400.870 1.650 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2=O)cc1Cl 1472259706 SYDPPRLLOXHJQF-AYOQOUSVSA-N 416.909 1.622 30 10 HDEE CC(C)(C)OC(=O)Cn1cc(C#N)c(=O)n(C[C@H]2CC3(CCCCC3)CO2)c1=O 1473069063 CJOGJTUCRNTCBZ-MRXNPFEDSA-N 403.479 1.963 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C[C@@H](O)c2cccc(C#N)c2)C1 1473689550 JHWDHDMYUBNFTB-QGZVFWFLSA-N 400.479 1.403 30 10 HDEE CCC(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@@H](C#N)C1)N(C)C 1496661538 DETFPYOBJKINJS-BBWFWOEESA-N 403.531 1.324 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC(F)(F)F)c2ccccc2c1=O 1503685812 HTUVBCMBMZOIJU-LLVKDONJSA-N 419.367 1.483 30 10 HDEE COC[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)CCO1 1504711195 DXRKFKVHEDSRLH-GHTZIAJQSA-N 413.478 1.474 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1nc(C)cc1C 1507536756 DUMUQKTXETWZTE-RDJZCZTQSA-N 404.540 1.542 30 10 HDEE C#CCCCn1c(Cc2ccsc2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1507593868 INPRYKWHNQRYSL-UHFFFAOYSA-N 412.563 1.744 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OCC)c(OC)c1 1507612053 BUAXRXBOWPDYQO-OAHLLOKOSA-N 413.478 1.763 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)COC)CC1 1507739103 MSVAMBUYBLPJBE-SFHVURJKSA-N 417.554 1.811 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnn(C)c2)n1CC1CCN(CCN(C)C)CC1 1507764954 FQGCGSYIANVMIW-HSZRJFAPSA-N 424.597 1.944 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CCS(C)(=O)=O)C1CC1 1507954366 MASRIJSCTMWMNE-CQSZACIVSA-N 416.569 1.160 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1508079054 MUSIRYVWZXJGBU-MRXNPFEDSA-N 409.450 1.517 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)[C@H](C)c1ccc(OC)cc1 1508085219 GIEAJJWNNNKPIV-RHSMWYFYSA-N 412.494 1.737 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCCn2ccnn2)CCOC1 1509808407 UBHRDUSCUIVEIN-RTBURBONSA-N 418.477 1.442 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccnc(-n2cccn2)c1 1509937179 AAUOMWFRVCCTCV-MRXNPFEDSA-N 419.493 1.881 30 10 HDEE COCCn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1519180982 IQZFUSBIAIETHL-KRWDZBQOSA-N 424.505 1.870 30 10 HDEE C=CCC(F)(F)C(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 1527891338 JREYDHZVSIQBAK-UHFFFAOYSA-N 417.478 1.475 30 10 HDEE COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(C)c(C#N)c2)C1=O 1534456529 PKNMQQCXLIGGMY-QFIPXVFZSA-N 406.442 1.959 30 10 HDEE N#Cc1cccc(NC(=O)C2CCN(C(=O)c3cn(C[C@@H]4CCOC4)nn3)CC2)c1 1536590797 LBLVWYFFLCTDAQ-INIZCTEOSA-N 408.462 1.677 30 10 HDEE CC(C)(C)OC(=O)Nc1cccc(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c1 1538539546 JJXIPPDWKUKNKS-YWZLYKJASA-N 419.503 1.973 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1539003741 FYNZIUARUYXESM-RDJZCZTQSA-N 415.519 1.551 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNC(=O)C(C)C 1539071793 DVMMNDCUERTNKI-INIZCTEOSA-N 409.556 1.192 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N(CCCOC)[C@H]1CCS(=O)(=O)C1 1539112530 SZVOADHDAOEHSV-SFHVURJKSA-N 417.535 1.784 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCNC(=O)c1cc[nH]n1 1539167382 CSQZJURVJGDJDE-UHFFFAOYSA-N 402.462 1.659 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CC12CCOCC2)[C@H]1CCS(=O)(=O)C1 1539201712 CDYIZRLHGQWNSG-SJORKVTESA-N 406.552 1.845 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CCC[C@H](CC(N)=O)C1 1539626745 GEZNTNVWAMIBMP-GJYPPUQNSA-N 411.510 1.808 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCc2nccn2C1 1540155109 LOEVQRYXGMHJRQ-HZPDHXFCSA-N 419.555 1.526 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(C(=O)N2CCOCC2)CC1 1540617334 DLFJUVSBLKKERQ-MRXNPFEDSA-N 423.514 1.170 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C#N)C1 1540861666 BBHHYTFCHXPXTC-QGZVFWFLSA-N 423.477 1.178 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ncc(Cl)n1C 1540872788 AISRIGGATCLDEW-UHFFFAOYSA-N 414.901 1.589 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCCN(C(C)C)CC1 1540901974 WLFKZWNDXOUFLF-UHFFFAOYSA-N 419.555 1.256 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C 1540902820 RGUPVDMQEJETNZ-INIZCTEOSA-N 423.583 1.840 30 10 HDEE CC(C)c1nnc(N2C[C@@H]3CCCN3C[C@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1541335919 FWZDREVHLWHHNA-FTFAEBDGSA-N 413.526 1.601 30 10 HDEE CN(C1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1)S(C)(=O)=O 1542399034 NJYZNNPLGNKVGC-OAHLLOKOSA-N 416.544 1.456 30 10 HDEE CO[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CCS(=O)CC1)C1CC1 1554666935 GUCOLOLFTCYVBT-GOSISDBHSA-N 415.519 1.722 30 10 HDEE COCCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)C[C@@H]1C 1555585233 AGSIBJVMKUGNBY-INIZCTEOSA-N 409.494 1.953 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC[C@@H](CO)c3ccc(F)cc3)C2=O)cc1 1557026468 LKHNMMGALDYCHP-QFBILLFUSA-N 424.432 1.795 30 10 HDEE C[C@H](CC(=O)N1CCN[C@@H](c2ccccc2)C1)/N=C1/NS(=O)(=O)c2ccccc21 1557033368 YNCLPAYKUIAYTN-CRAIPNDOSA-N 412.515 1.677 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@H]2O)c1 1568141640 AROKJBOYVLNGCU-MJGOQNOKSA-N 405.516 1.781 30 10 HDEE CCOc1ccccc1[C@@H](CC(=O)NCC(=O)NCC#N)NC(=O)OC(C)(C)C 1568725709 CDPLYEXSEXXOKI-OAHLLOKOSA-N 404.467 1.797 30 10 HDEE C=CCSCCNC(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 1584673190 IWAZSPXYBWXHIN-CXAGYDPISA-N 404.554 1.304 30 10 HDEE N#Cc1nnn(Cc2ccccc2)c1NC(=O)CN1C(=O)NC2(CCCCC2)C1=O 1585827386 JMKMVNNORYOYJZ-UHFFFAOYSA-N 407.434 1.391 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccsc2C#N)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1586185249 VBCNMEHLAYQXAF-ILXRZTDVSA-N 400.504 1.832 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@]2(CCS(=O)(=O)C2)C1 1587898017 CWLAUAJHXVFGJR-ZWOKBUDYSA-N 422.551 1.431 30 10 HDEE C#CCN(c1nnc([C@]2(OCC)CCOC2)n1CC(C)C)[C@@H]1CCS(=O)(=O)C1 1588035278 QOMDIHVQKHHIQG-APWZRJJASA-N 410.540 1.213 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2cn3ccccc3n2)n1C[C@H]1COCCO1 1595302759 DJOFOCHZCKGQNN-SFHVURJKSA-N 412.494 1.571 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CC[C@H](S(=O)(=O)NCC)C2)cc1 1595608376 SCYDEPUSBDHKMA-SFHVURJKSA-N 405.524 1.718 30 10 HDEE C=CCC1(O)CCN(C(=O)CCNS(=O)(=O)c2ccc(OC)c(OC)c2)CC1 1596593402 OMFKIHLELICZNY-UHFFFAOYSA-N 412.508 1.302 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1610043682 HIRLIIVHHYURGN-KSFYIVLOSA-N 424.505 1.726 30 10 HDEE C[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCNS(C)(=O)=O)C1 1612799260 CQHGLCNBBBPHKF-HNNXBMFYSA-N 418.523 1.514 30 10 HDEE Cc1sc(NC(=O)CN2CCN(C(=O)C(=O)OC(C)(C)C)CC2)c(C#N)c1C 1618415296 HRYJVAQPADHFIR-UHFFFAOYSA-N 406.508 1.661 30 10 HDEE Cn1ccc(Nc2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)n1 1618429300 PILBUXYRWHNDQL-HTXNQAPBSA-N 404.434 1.949 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(n3cnnc3O)CC2)CC1 1618613300 ROIVUIWLXHRCBM-UHFFFAOYSA-N 403.483 1.798 30 10 HDEE C#C[C@H]1CCCCN1CC(=O)N(CCCC)c1c(O)nc(=O)n(CC(C)C)c1N 1620652436 OODFTMZXIIRMJC-INIZCTEOSA-N 403.527 1.808 30 10 HDEE CCNC(=O)CN1CCCN(C(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1623695942 QXMROXISKUFFMT-QGZVFWFLSA-N 423.558 1.634 30 10 HDEE COCCNC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)c2cccc(C#CCO)c2)cc1 1623710472 DQPVIQUGTPHBNR-MRXNPFEDSA-N 424.453 1.591 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)C#Cc2ccc(C(F)(F)F)cc2)CC1=O 1625689379 UQJIXZTZPYFLHH-QGZVFWFLSA-N 411.424 1.352 30 10 HDEE CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)CCn2cc(C#N)c(O)nc2=O)C1 1626099947 AFJFJRKQDBNLTE-CQSZACIVSA-N 419.482 1.364 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCOCC1 1629316593 BFQPQUBLAUWNSU-KBPBESRZSA-N 403.907 1.809 30 10 HDEE COc1cc2nc(C(=O)NCc3ccc(OCC#N)cc3)c(=O)n(C)c2cc1OC 1632309151 AISOUPOLEWVQFP-UHFFFAOYSA-N 408.414 1.783 30 10 HDEE COC(=O)C1=CC[C@@H](NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1632895818 SHEUHNMVGYTKCC-OAHLLOKOSA-N 419.503 1.664 30 10 HDEE CCCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cnn1Cc1ccccc1 1635692891 PFLDJLQAEFXPFH-UWJYYQICSA-N 412.515 1.894 30 10 HDEE CCOC(=O)CON=C(C(=O)NCCc1cc(C(F)(F)F)ccn1)c1cc[nH]n1 1636555884 SDOVRBBVTGEUDI-UHFFFAOYSA-N 413.356 1.466 30 10 HDEE CCN(C(=O)COc1ccc(Br)c(C#N)c1)[C@@H]1CCS(=O)(=O)C1 1641461528 GBZIDGWKUGCYJR-GFCCVEGCSA-N 401.282 1.735 30 10 HDEE COc1ccc(C(=O)NCC#CCN(C)C)cc1S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 1643409646 OOGSZJQLEIYUGF-IRXDYDNUSA-N 421.563 1.657 30 10 HDEE COC(=O)[C@H](c1cccc(C#N)c1)N1C[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1 1643806519 YNSSSDHTCSBALD-ZCNNSNEGSA-N 403.438 1.889 30 10 HDEE C#CCC1(NCCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)CCOCC1 1644566378 HNRAWHMLZOKCCH-UHFFFAOYSA-N 419.547 1.962 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc(Cl)cc(Br)c3N)C[C@H]1CS(=O)(=O)C2 1645270792 YANHLBUQSYKFOT-RTHLEPHNSA-N 418.700 1.695 30 10 HDEE CC(C)OCCS(=O)(=O)NCC(=O)NC1(c2cccc(C#N)c2)CCOCC1 1645666702 QBZBSCRJSPWTEV-UHFFFAOYSA-N 409.508 1.025 30 10 HDEE Cc1oc(NC(=O)CN2C[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3C2)c(C#N)c1C 1647743939 QRYIFWHOFIAPQG-HDICACEKSA-N 406.442 1.824 30 10 HDEE CCOC(=O)[C@@](C)(NC[C@H](O)CC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 1654303098 HVVZNWNBTSKGGF-APWZRJJASA-N 408.520 1.903 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(C(=O)OC)c(Cl)o2)n1 1663145107 XWGUXRJWSQKUEK-UHFFFAOYSA-N 415.855 1.387 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)S(=O)(=O)c1cc(F)ccc1OCCOC 1664295207 IJNSTDDTDGLQHW-UHFFFAOYSA-N 401.456 1.817 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1sc(Br)cc1C 1666566629 NRGKWSVJSYPUED-SNVBAGLBSA-N 412.352 1.630 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)c(C#N)cn1CC 1672409796 BVKXHQZSSKYQGJ-AWEZNQCLSA-N 405.499 1.865 30 10 HDEE C#CCC1(NC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2C)CCOCC1 1682170692 RHINHJROFQITQR-UHFFFAOYSA-N 413.927 1.798 30 10 HDEE N#Cc1ccc(CCNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)cc1 1682687348 GYTLLJPJCWMMML-UHFFFAOYSA-N 421.505 1.259 30 10 HDEE COc1ccc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)cc1C#N 1683696694 YSQOUFGZBPJNBA-HOTGVXAUSA-N 404.467 1.736 30 10 HDEE CSc1ccc(CNC(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)cc1C#N 1685883328 JPXPLCOJKZMZAS-CRAIPNDOSA-N 409.533 1.816 30 10 HDEE C#CCN1CCC(NC(=O)N[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1 1686304295 SMSBZGTVPRQWIR-KRWDZBQOSA-N 419.323 1.951 30 10 HDEE C#CCN(C)CCCNC(=O)NCCNS(=O)(=O)c1cccc(Cl)c1Cl 1686416478 LULDJYDONKHHHH-UHFFFAOYSA-N 421.350 1.526 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1689910377 FJNZEJDKWJXCBC-HNNXBMFYSA-N 422.449 1.608 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CN(CC(C)C)CCO1 1689948910 KFJYWIUKKWJKBR-RXVVDRJESA-N 405.543 1.356 30 10 HDEE C#CCN(C)c1nnc(-c2cn(C)c3ccccc23)n1CCN1CCN(C(C)=O)CC1 1689959647 IPQWUGNERYOASO-UHFFFAOYSA-N 419.533 1.670 30 10 HDEE C#CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCOCCOC 1689965876 FTDFSRGYNVOLGN-INIZCTEOSA-N 423.514 1.319 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](C)Oc1ccccc1F)[C@H]1CCS(=O)(=O)C1 1689980356 QDYBAMYKAFXTNB-HOCLYGCPSA-N 406.483 1.820 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(COC)cc1)[C@H]1CCS(=O)(=O)C1 1689991708 BIHYLTSMVFEOJU-SFHVURJKSA-N 402.520 1.662 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@@H](C)C2)CC1 1690111571 FNJLDXJBJBXMQM-IXDOHACOSA-N 408.572 1.080 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccco2)N(C)C)CC1 1690129095 PIYWPMSGXYPRSB-HXUWFJFHSA-N 419.533 1.915 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(C(=O)NCCC)c2)CC1 1690133846 WEFQZHAORIZDOA-UHFFFAOYSA-N 424.549 1.758 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CC[C@@]3(CCOC3)O2)CC1 1690136245 CFXADCSWFSQPPR-GCJKJVERSA-N 415.538 1.705 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1690655392 RPFQNDCSLDDJFP-HZPDHXFCSA-N 420.583 1.927 30 10 HDEE CC[C@@H]1CN(c2nnc(CC(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1694948974 PYATWGPQRHZBOW-RAJOGRCSSA-N 402.499 1.618 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@](C)(O)C1CC1 1696328891 GMFAMWXSXQSAFL-OAQYLSRUSA-N 411.510 1.569 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](F)COC)C1 1696941601 FVABELRYOFLLFV-SJORKVTESA-N 400.458 1.764 30 10 HDEE CS(=O)(=O)CCCn1c(COc2ccccc2F)nnc1N1CCO[C@H](C#N)C1 1698305689 GXOQNDWKFSWARR-CQSZACIVSA-N 423.470 1.160 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CC(C)(C)N1CCOCC1 1705490624 NSLGPYCWPUADSC-HNNXBMFYSA-N 414.510 1.575 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1cccc(O)c1)[C@@H]1CCS(=O)(=O)C1 1705565835 WWUAMKHKUBVLTH-GOSISDBHSA-N 423.498 1.721 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1705603967 BMYAMGNIBBQESK-ZDUSSCGKSA-N 411.478 1.869 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2C[C@@](C)(O)c2ccsc2)CC1 1705640972 LUNHTQLMVAJJPQ-JOCHJYFZSA-N 422.558 1.988 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1705805529 JKBNLVCICYSEEI-IXDOHACOSA-N 421.567 1.594 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1csc(C)c1 1705843836 PCWRAXYQNUDHFZ-HNNXBMFYSA-N 411.553 1.651 30 10 HDEE CC(=O)NCCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1706059224 CMXKWAAODUOIIB-IBGZPJMESA-N 420.477 1.386 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC(=O)N[C@H]3CCCC[C@H]32)n1Cc1ccc(C#N)o1 1706593977 ZUZRBFRDIHAGKX-JKSUJKDBSA-N 411.466 1.177 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CC(=O)NCc1ccco1)[C@H]1CCOC1 1711028512 UYOZMFIPCHLPLY-KRWDZBQOSA-N 406.446 1.951 30 10 HDEE CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](C#N)C1)C(=O)OC(C)(C)C 1711213196 YVQPBQRBBNWAQE-CVEARBPZSA-N 420.514 1.768 30 10 HDEE CO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@](F)(C#N)C1)C(F)(F)F 1711529149 DRKBIDFKPYPLQE-BLLLJJGKSA-N 418.395 1.923 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1722296141 NYOKPBPPWKUUHQ-HOTGVXAUSA-N 421.567 1.477 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCCC2)CCOCC1 1722301928 OZCLFONSEITLPB-GOSISDBHSA-N 414.554 1.503 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1Cc1ccccc1CN1CC[C@@H](O)C1 1722386399 WXYVZFIZTHKRQH-OAQYLSRUSA-N 407.518 1.502 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(CS(C)(=O)=O)CC2)CC1 1722445148 SJRSHECIGWDDKI-UHFFFAOYSA-N 421.567 1.192 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C/C=C\CC)CC1 1722452290 CYOOJPMHUPDEGW-RJCMGOLDSA-N 415.538 1.934 30 10 HDEE C=C(Cl)Cn1c(C2CCC2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1722549975 CEJZOQCSAVUNBC-INIZCTEOSA-N 424.977 1.961 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(Cn2cccn2)CC1 1722608808 MFKWYWPUJNOLHD-INIZCTEOSA-N 421.571 1.968 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(OC)cc2)n1CC(=O)N1CCOCC1 1722678061 JZADLYZOMREHAU-UHFFFAOYSA-N 415.494 1.451 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N(C)[C@@H](C)CS(=O)(=O)CC 1722697162 XAKOQCLFEJWKGD-INIZCTEOSA-N 419.551 1.815 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722699328 UJMSIOFKBNRRSR-CKJXQJPGSA-N 405.543 1.942 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1722730093 IJQQMDFGFKRXLM-OXJNMPFZSA-N 424.567 1.606 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C)(C#N)CC2)n1C[C@]1(C)CN(C)C1=O 1730941508 GHQXNBOJLFGLHQ-QYWGDWMGSA-N 416.526 1.610 30 10 HDEE CO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)NCc2ccco2)C1 1730984487 MEDGELSUYSGLQR-SFHVURJKSA-N 406.446 1.951 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1740552186 NNIFGZAGSZSGKO-QUCCMNQESA-N 423.565 1.825 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740553582 MDQFPRCZIWOFDW-ARFHVFGLSA-N 415.460 1.893 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1740580621 DTQYHTBAGWUZKI-HZPDHXFCSA-N 424.571 1.043 30 10 HDEE C#CCCCn1c(-c2cnccn2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 1740587679 RSYNPIGPFHIMIE-IBGZPJMESA-N 408.554 1.753 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740617949 ZFGIGTWZTRWPOW-ZWKOTPCHSA-N 421.567 1.287 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740671533 JLIKXYGPZSCOFU-OGNFBWPZSA-N 406.552 1.581 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3Br)n2CC2(O)CC2)CC1 1740693647 GIXSXEZRYMBCLM-UHFFFAOYSA-N 416.323 1.988 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2CCc2cn[nH]c2)CC1 1740705680 KQZZQELGTLEFTJ-SFHVURJKSA-N 411.510 1.104 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)OC[C@H]2C1 1740743970 JMSLVZGITQMKAB-QWHCGFSZSA-N 412.288 1.722 30 10 HDEE C=CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCOC[C@H]2C)CC1 1740834402 VJSHOAWIUXSUOX-QGZVFWFLSA-N 402.543 1.637 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1ncn(-c2ccccc2)n1 1740940477 HQLNYXJKHUQCPK-QGZVFWFLSA-N 422.493 1.497 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@H]1C 1740953702 OOSFSTWFGKIQGE-HUUCEWRRSA-N 417.535 1.886 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CC2(O)CCOCC2)C1 1740972656 KWMFRCVWDRZTDS-LAUBAEHRSA-N 422.526 1.253 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCCCS(C)(=O)=O)CC1 1741988396 PITNOEKEWKBNQQ-HNNXBMFYSA-N 422.555 1.574 30 10 HDEE CN(Cc1cnn(C)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1747770826 VBADEFJKAWMGRZ-AWEZNQCLSA-N 415.479 1.063 30 10 HDEE CN(CCc1cnccn1)c1nnc(C2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1747902629 JYUNZNQAWLQTES-CZIZESTLSA-N 422.493 1.541 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1748666905 KBGZLKTXCFZRSX-ZIAGYGMSSA-N 411.453 1.518 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C2CCCC2)CC1 1748751829 NAOZEGNVSOGUBJ-QGZVFWFLSA-N 405.568 1.658 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1COc2ccccc21)[C@@H]1CCS(=O)(=O)C1 1748817136 FUZDJMGQIWHCPI-HZPDHXFCSA-N 400.504 1.643 30 10 HDEE C=C(C)COCCn1c(C(C)C)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749210084 BWXFEMGYYJJPPN-UHFFFAOYSA-N 406.531 1.167 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[S@](=O)C(C)(C)C)C1CC1 1749508506 SKIFIQNCLZBUOM-SRGMZFCMSA-N 417.601 1.590 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(C(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1749925563 PYMCTQVIYUDMPB-KIJUOZEOSA-N 415.498 1.033 30 10 HDEE CS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)CC1 1750215698 BSTNVSWPNOONAS-UHFFFAOYSA-N 410.450 1.601 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCOCCC(C)C)CC2)c1C#N 1751827517 FEABDAXLAZUTOE-UHFFFAOYSA-N 400.531 1.889 30 10 HDEE C#CCN(C)c1nnc(Cc2c[nH]c3ccccc23)n1CC1(C(N)=O)CCOCC1 1760176532 AFFFWSCTCGLEBB-UHFFFAOYSA-N 406.490 1.702 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2cn3ccccc3n2)n1CC1(S(C)(=O)=O)CC1 1760204746 ARIPDJYMRBKIFD-UHFFFAOYSA-N 422.514 1.167 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)c1nccs1 1760206106 QYPHPWUHVRCQRA-LSDHHAIUSA-N 403.533 1.513 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H]2CC=CCO2)CC1 1760256439 GYRIGFIMIQJXLZ-KNQAVFIVSA-N 415.538 1.419 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccnc2OCCC)CC1 1760258940 FFYFJTAAATVWGA-IBGZPJMESA-N 410.522 1.769 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](C)N1CCN(CC)CC1 1760489057 BPKLGXXUSIAQKV-LJQANCHMSA-N 415.586 1.719 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(CC)C[C@H]1CCCO1 1760527078 MHZSJAJOUKAXLA-QGZVFWFLSA-N 401.515 1.447 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)NCC)CC1 1760562454 KGMFANCLZSSZIR-UHFFFAOYSA-N 404.544 1.449 30 10 HDEE Cc1c(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@@H](C#N)C2)cnn1C 1761639135 AIZQZACRYMEAMZ-IBGZPJMESA-N 418.461 1.548 30 10 HDEE CCc1nnc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)s1 1762830435 FVKLBUQLMAOJRG-HXUWFJFHSA-N 422.518 1.981 30 10 HDEE CCN(CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1)C(C)C 1765276162 VNLFDJWHRXUSGT-GHTZIAJQSA-N 420.558 1.778 30 10 HDEE COC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC(CC#N)CC2)CCCC1 1769758328 DISJMKHLEBFJQE-OAHLLOKOSA-N 424.571 1.978 30 10 HDEE COC[C@H](F)Cn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@H](C#N)C1 1770793464 ZXVDQKOOUXEGLD-SJLPKXTDSA-N 411.441 1.844 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)Nc2ccccc2)C1 1771528785 DRGJSKHSZUUSJM-YWZLYKJASA-N 411.441 1.700 30 10 HDEE COc1ncc(Cl)cc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851849547 QYFMWNLNDRUCDN-UHFFFAOYSA-N 401.854 1.989 30 10 HDEE Cn1ncc(N2CCC[C@@H](C(=O)N=c3[nH]n(-c4ccccc4)cc3C#N)C2)cc1=O 1853245908 QVAICOSXPXAFSP-OAHLLOKOSA-N 403.446 1.115 30 10 HDEE C=CCC1(S(=O)(=O)N2CCC(N[C@@H]3CCc4nn(C)c(=O)cc4C3)CC2)CC1 1853599177 GBKHLJBEUPUJDL-QGZVFWFLSA-N 406.552 1.130 30 10 HDEE C=CCCN1CCN(C(=O)[C@H]2CSc3nccc(=O)n3C2)C(=O)C12CCCCC2 1853680103 ZFASQHGJHBRYRR-MRXNPFEDSA-N 416.547 1.915 30 10 HDEE C=CCN1C[C@H](C(=O)N2CC[C@H](N3CCSc4ccc(F)cc43)C2=O)CC1=O 1854207955 RFFXSKZJNPXHLS-HIFRSBDPSA-N 403.479 1.900 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1854256169 LKJMEOXARXPEOV-SFHVURJKSA-N 419.547 1.172 30 10 HDEE N#Cc1ccnc(OCC2CCN([C@@H]3CCCN(C(=O)[C@H]4CCCO4)C3=O)CC2)c1 1854419992 VVJPLKIHASPVGI-RTBURBONSA-N 412.490 1.741 30 10 HDEE COc1nc(C)c(Cl)c(C)c1C(=O)N1CCN([C@@H]2CCN(CCC#N)C2)CC1=O 1855005495 CTALORLINNCMCE-OAHLLOKOSA-N 419.913 1.633 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)C2)CC1 1855602290 HKXSNMUOCROUPM-KRWDZBQOSA-N 419.547 1.968 30 10 HDEE CC1(C)C(=O)N(C(=O)CCCS(=O)(=O)Cc2ccccc2)CCN1CCC#N 1855897601 YWMDKLFABJVQPU-UHFFFAOYSA-N 405.520 1.745 30 10 HDEE Cn1cncc1C(=O)N1C[C@H](CN2CCC(c3ncccc3C#N)CC2)CCC1=O 1857211348 MTLUWLDGKXRLFE-INIZCTEOSA-N 406.490 1.945 30 10 HDEE COc1cccc(N2C[C@H](C(=O)N3CC[C@H](N4CCC(C#N)CC4)C3=O)CC2=O)c1 1857323516 BINSHRIPLYIJOP-APWZRJJASA-N 410.474 1.411 30 10 HDEE C=CCn1c(C(=O)NCCOC)cc2c(N3CCN(c4ccccn4)CC3)ncnc21 1873591421 JQNGIGAUVAVIFK-UHFFFAOYSA-N 421.505 1.715 30 10 HDEE C=CCn1c(C(=O)NCCCn2ccnc2)cc2c(N3CCC(O)CC3)ncnc21 1873595690 NLJPJQWJZZZTMT-UHFFFAOYSA-N 409.494 1.595 30 10 HDEE COc1ccc(S(=O)(=O)NCC#CCOc2ccccc2OC)c([N+](=O)[O-])c1 1891770550 PKXKPOMPPXFPGV-UHFFFAOYSA-N 406.416 1.973 30 10 HDEE N#Cc1cccc(S(=O)(=O)NCC2CCN(S(=O)(=O)c3cccnc3)CC2)c1 1891812128 LCAPBMSNEYWNPP-UHFFFAOYSA-N 420.516 1.332 30 10 HDEE C[C@H](C#CC(=O)N1C[C@@H](O)CC12CN(C(=O)OC(C)(C)C)C2)NC(=O)OC(C)(C)C 1902010077 TWIATOZMAFRZGF-CABCVRRESA-N 423.510 1.486 30 10 HDEE C#CCNC(=O)CNC(=O)c1cc(Br)ccc1I 1962764787 LMUAQXLMTRUOSI-UHFFFAOYSA-N 421.032 1.533 30 10 HDEE C#CCO[C@@H]1CCCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)C1 1963991889 UEEDNSGVYWDFCH-MRXNPFEDSA-N 418.515 1.753 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2C(=O)OC(C)(C)C)[C@H](C#N)C1 1993237608 CJENYGVWBUJTNB-KFWWJZLASA-N 424.498 1.328 30 10 HDEE CN(C(=O)OCc1ccccc1)C1CN(S(=O)(=O)c2ccc(N)cc2C#N)C1 2044593202 HWXFCOQMKQYIOU-UHFFFAOYSA-N 400.460 1.782 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CCCC(=NO)CC1 2046024895 DWMHFWRMOOEVIZ-GOSISDBHSA-N 411.455 1.657 30 10 HDEE C=C(Cl)[C@@H](O)Cn1nnc(C(=O)OCC)c1CN1C(=O)c2ccccc2C1=O 2073748686 IRMLBLCSAQCPMA-AWEZNQCLSA-N 404.810 1.364 30 10 HDEE N#Cc1ncccc1C[S@@](=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074696427 RELRVTNOHYWKBT-OLRZCDJHSA-N 401.444 1.972 30 10 HDEE N#Cc1ccc(S(=O)(=O)N[C@H]2COCCN(C(=O)OCc3ccccc3)C2)cn1 2118163769 SQGRJWFGCPWXHH-QGZVFWFLSA-N 416.459 1.269 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CNS(=O)(=O)C[C@@H]1CCCO1 2157014430 SELYTXGLHRHFHK-ZDUSSCGKSA-N 401.359 1.954 30 10 HDEE C[C@H](C#N)CS(=O)(=O)N1CCN([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 2174773437 YAGMZRHNQCUMNL-HZPDHXFCSA-N 400.545 1.493 30 10 HDEE CN1CCN([C@@](C)(CN)C(F)(F)C(F)(F)F)[C@@H](CNC(=O)C(F)(F)F)C1 2195021299 DWEUYNWYEWODJB-WPRPVWTQSA-N 400.314 1.196 30 10 HDEE C=C[C@@]1(CO)COCCN1C(=O)c1cnc(Br)c(Br)c1 2199860416 JDOYCBDXOQHMHD-CYBMUJFWSA-N 406.074 1.996 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CC2(Br)Br)c(N)c1 2224802844 CYABVBBMLXNEKY-MRVPVSSYSA-N 409.103 1.925 30 10 HDEE CN(Cc1cscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCN(S(C)(=O)=O)C1 2235499930 DROSYIJMDADNJY-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE Cc1nn(C)c(C(=O)NCCNOCc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247826432 UJNCVNZPKOEXTM-UHFFFAOYSA-N 414.315 1.479 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@H]1CNC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247828407 NFXYAKNOLCMZMB-QWHCGFSZSA-N 420.319 1.600 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NC(=O)c2occc2B2OC(C)(C)C(C)(C)O2)CC1 2247836778 IEHCDVAHLHNUFZ-UHFFFAOYSA-N 421.303 1.776 30 10 HDEE Cn1nc(C(=O)NCC2(NC(=O)OC(C)(C)C)CC2)cc1B1OC(C)(C)C(C)(C)O1 2247923481 ZGOPNUBOCUGSKR-UHFFFAOYSA-N 420.319 1.506 30 10 HDEE Cc1nc(NC(=O)CCONC(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248402282 UYXKNAOVUDTDLA-UHFFFAOYSA-N 422.291 1.869 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3CCS3(=O)=O)c2Cl)OC1(C)C 2267103496 JQEHKRIIZXGRRA-SECBINFHSA-N 405.734 1.618 30 10 HDEE C[C@@H]1CNC[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282308849 WYJHTNHRKPGFHG-GHMZBOCLSA-N 420.793 1.835 30 10 HDEE COC[C@H](CN(C)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)OC 2282341223 PHQAHXZXZMRMOI-LBPRGKRZSA-N 405.347 1.329 30 10 HDEE CCCC(=O)NCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282352303 MSWHPUPRPPVHDB-UHFFFAOYSA-N 402.347 1.242 30 10 HDEE COC(OC)[C@@H](C)N(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282353882 YXBXBVUPNGLBHZ-LLVKDONJSA-N 405.347 1.675 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)[C@@H](C)CN1 2282417118 FVIKRSICOAEDJQ-STQMWFEESA-N 400.375 1.559 30 10 HDEE CCC[C@@](C)(O)CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503067 UCCCYEVYHMICIB-MRXNPFEDSA-N 404.363 1.413 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1C[P@@](C)(=O)C[C@@H]1O 2282595469 URFBHNIBEIGWDH-FAXRNKGOSA-N 400.246 1.217 30 10 HDEE CC1(C)OB(c2csc(C(=O)NC[C@H]3C[C@@H](O)CCO3)c2Cl)OC1(C)C 2282635648 DLXISSYOWVCJJB-WDEREUQCSA-N 401.721 1.970 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H]2CC[C@@H](O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282839956 KMIDWLYXZCSSKX-CHWSQXEVSA-N 401.359 1.795 30 10 HDEE C[C@H]1CC(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)[C@H]1C 2282841246 TXDQIHAPHQNMAQ-QWRGUYRKSA-N 400.331 1.529 30 10 HDEE CO[C@@H]1C[C@H]1CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282843853 SXWOILOBWOGMDU-SMDDNHRTSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@H]2CCC[C@H]2N)OC1(C)C 2282874495 BFLBARQJFXYWPK-GXTWGEPZSA-N 400.375 1.594 30 10 HDEE CCN([C@@H](C)CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284393256 IWVZEFKREGERAX-NSHDSACASA-N 403.331 1.921 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H](C(=O)O)C3CCC3)s2)OC1(C)C 2284402834 LITRZRBZIPPPAV-ZDUSSCGKSA-N 401.315 1.579 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(N)=O 2296244935 CFVQOTQOLXYJKA-MFKMUULPSA-N 402.347 1.226 30 10 HDEE CCCNC(=O)CSc1nncn1N=Cc1cc2c(cc1[N+](=O)[O-])OCCO2 2321260493 HWSYKNAOJGHJPP-UHFFFAOYSA-N 406.424 1.458 30 10 HDEE CCN(CC)C(=O)CSc1nnc(COC)n1N=Cc1cccc(OC)c1O 2331549062 RUBCMXACVBWWND-UHFFFAOYSA-N 407.496 1.981 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2362766717 DRSXSBKGTZKYNL-CVEARBPZSA-N 402.557 1.865 30 10 HDEE COC[C@]1(C)C[C@H](NC(=O)OC(C)(C)C)CN1S(=O)(=O)N1CC[C@H](C#N)C1 2364214577 OBNKNFDZBTVRSZ-KEYYUXOJSA-N 402.517 1.081 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1[C@H](C)OCCN1C(=O)OC(C)(C)C 2365198854 JHDCDRSBESQUAU-ARFHVFGLSA-N 402.557 1.816 30 10 HDEE CC[C@@](O)(C1CN(C(=O)OC(C)(C)C)C1)[C@@H](C#CC(C)(C)S(C)(=O)=O)NC 2365203308 IRSYEIGNNCHUTO-DNVCBOLYSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)N1C[C@](O)([C@@H](N)C#CC(C)(C)S(C)(=O)=O)CCC12CC2 2365204737 OTORPXOZBMWREZ-LIRRHRJNSA-N 400.541 1.435 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)CN1CCC(NC(=O)OC(C)(C)C)CC1 2365211622 OLXGOXOXUMSREN-INIZCTEOSA-N 401.573 1.390 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1 2365212157 PBLIWRARXBORBP-LSDHHAIUSA-N 400.541 1.570 30 10 HDEE CN(Cc1ccc(B2OC(C)(C)C(C)(C)O2)s1)S(=O)(=O)CCOCCF 2365574533 WDLBYPJRGVSFRM-UHFFFAOYSA-N 407.338 1.795 30 10 HDEE CCCN[C@H](C#CC1(S(C)(=O)=O)CC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367786673 IMXIEVDLXZVYMG-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(C)OC[C@H]1C[C@@H](N)C#CC1(S(C)(=O)=O)CC1 2367791450 YLZLIEHEEPVSLT-LSDHHAIUSA-N 400.541 1.699 30 10 HDEE CC[C@@](C#CC1(S(C)(=O)=O)CC1)(CCNC(=O)OC(C)(C)C)OCC(=O)O 2367797686 WMSOLTBJSUXPIV-QGZVFWFLSA-N 403.497 1.732 30 10 HDEE CC(C)(C)OC[C@@H](NC(=O)OC(C)(C)C)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367802773 DWPASEKLSCPSSC-HUUCEWRRSA-N 402.557 1.993 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@](C)(O)[C@@H](C)NC(=O)OC(C)(C)C 2367833549 KKDQVGYEBBUSOO-IIDMSEBBSA-N 402.557 1.599 30 10 HDEE C=CCN(CCO)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 135850637 NNEJRFRKACHTEI-UHFFFAOYSA-N 411.217 1.158 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCC(CN4CCCC4)CC3)CC2)o1 303191982 MIJHVGUKFXQOHX-UHFFFAOYSA-N 400.527 1.311 30 10 HDEE C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2Oc2ncccc2C#N)CCN1CCO 427422378 VKDDJLUHYIUIDX-OAHLLOKOSA-N 409.446 1.209 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)N[C@@H](Cc1ccccc1)CN(C)C 465291880 ZFPXMFCIHQFVRK-MJGOQNOKSA-N 407.522 1.741 30 10 HDEE Cn1ncc2c(=O)n(CC(=O)N3CCN(c4ccc(C#N)cc4Cl)CC3)cnc21 470223266 MPCYMUVBOHSGCJ-UHFFFAOYSA-N 411.853 1.004 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@H](C)c3nnc4n3CCCCC4)CC2)c1C#N 472098096 PUMBSMHRRCBXRI-OAHLLOKOSA-N 411.514 1.511 30 10 HDEE CCO[C@@H]1C[C@H](O)C12CCN(CC#CCN1CCC3(CC1)[C@H](O)C[C@H]3OCC)CC2 472607110 VXFVDWPNWXISAP-CIAFKFPVSA-N 420.594 1.494 30 10 HDEE CC(C)N(CCOCCNC(=O)c1cc(C#N)cn1C)C(=O)c1cc(C#N)cn1C 473009822 ISTFDCAELASMPB-UHFFFAOYSA-N 410.478 1.404 30 10 HDEE C=CCOC[C@H](NC(=O)[C@@H]1CCc2nc(C)nc(C(F)(F)F)c2C1)C(=O)OC 481755026 YPKVOZIRNQBHTH-RISCZKNCSA-N 401.385 1.769 30 10 HDEE CN1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(F)c(C#N)c3)cc2)CC1 488915336 PQIOMBSAXIYEGF-UHFFFAOYSA-N 402.495 1.923 30 10 HDEE CCC[C@@H]1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 502530714 OETZANREVXXPLT-FUHWJXTLSA-N 405.520 1.986 30 10 HDEE CS(=O)(=O)N1CC[C@@H](CN2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 514091671 WFRLBNOXRLJBOV-AWEZNQCLSA-N 405.480 1.210 30 10 HDEE Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)cc1S(=O)(=O)NCC#N 517581968 VZNZCXXRQJNJGK-KRWDZBQOSA-N 412.471 1.332 30 10 HDEE CC(C)N1C(=O)C[C@@H](NC(=O)Cn2cnc(C#N)n2)[C@H]1c1ccc(Cl)c(F)c1 543110932 LQPMMIBIEVPOJC-RDTXWAMCSA-N 404.833 1.809 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)NCCNC(=O)Cc3cccc(F)c3)CC2)n1 546219186 YVSVWHQZTHLVGI-UHFFFAOYSA-N 410.453 1.283 30 10 HDEE Cn1c(=O)ccc2ccc(NC(=O)C(=O)N3CCC(C#N)(c4ccccn4)CC3)cc21 548823712 RPUUHWMOWCVFEZ-UHFFFAOYSA-N 415.453 1.956 30 10 HDEE Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)n1 557477952 XSKBQMWZOCNZPE-UHFFFAOYSA-N 401.477 1.172 30 10 HDEE C=CC[C@@H](CO)NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 558571727 NCODIKCZZRKICZ-VIFPVBQESA-N 400.806 1.690 30 10 HDEE COC(=O)C(C)(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 566612713 VDKLFPVICHSVSY-UHFFFAOYSA-N 422.507 1.163 30 10 HDEE C=C(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 567411103 XWHOEAFSJBMOCT-QGZVFWFLSA-N 400.439 1.771 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)[C@@H](C)C(=O)OCCOC)nc1C 586301985 GJJRIWLYZQNMKL-RNUGCUGFSA-N 418.493 1.060 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N2CCC[C@H](Oc3ncccc3F)C2)c(F)c1 586863707 YGIYVMFEGADWHS-HNNXBMFYSA-N 400.385 1.918 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@@H]3C(=O)NC(C)(C)C)cc2C1=O 589848127 VFNSHNQRRBEDLL-OAHLLOKOSA-N 401.488 1.898 30 10 HDEE C[C@H](C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O)N1C(=O)c2ccccc2C1=O 589849837 BKPKAFFEXFEVQD-KUHUBIRLSA-N 416.437 1.460 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)N[C@H](C)CC)cc2C1=O 623389060 LAONOJLOBWTKCV-WBMJQRKESA-N 401.488 1.898 30 10 HDEE C[C@H](OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)C(=O)c1cc(F)ccc1F 730292537 HTBNZTMBVWNYAZ-JTQLQIEISA-N 408.382 1.818 30 10 HDEE C#CCOc1cccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)c1 730995225 CDPIMSFPIJGPKK-AWEZNQCLSA-N 414.439 1.937 30 10 HDEE COC(=O)[C@H](OC(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccc(C#N)cc1 740183988 MWBZSZCVSVQZAD-GOSISDBHSA-N 402.428 1.603 30 10 HDEE CN1CCN(c2ccc(NC(=O)CCN/C(O)=C3/N=CC=CC3=O)cc2Cl)CC1 746190300 HHLZJWWJMSKGKD-VXPUYCOJSA-N 417.897 1.947 30 10 HDEE N#C[C@H]1CN(C(=O)Nc2cc(C3CC3)nn2[C@H]2CCS(=O)(=O)C2)CCN1C1CC1 749240035 KUTUFATVMHMQLL-HOTGVXAUSA-N 418.523 1.324 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@H]1CSCN1C(=O)C1CCCC1 750706887 BBTASGSUNLWEHE-OAHLLOKOSA-N 407.517 1.763 30 10 HDEE CCN1C(=O)CCc2cc(NC(=O)C(=O)NCCNc3ncccc3C#N)ccc21 759370306 TXMBQPJLPHPJLP-UHFFFAOYSA-N 406.446 1.419 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)N[C@@H](CO)c1cccc(Br)c1 766983718 OQNSIMMPCCYRSQ-ZGTROFRASA-N 423.267 1.308 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767882142 QNQCIGMFRBFRDZ-UHFFFAOYSA-N 410.524 1.444 30 10 HDEE C#CCN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCS(=O)(=O)C1 774264469 WIOPMOPPCZQSBD-ZFWWWQNUSA-N 413.902 1.890 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)N[C@H](CC2CCOCC2)C(=O)O)c1 776604169 ZFJJFMYNEFFTEB-CQSZACIVSA-N 417.281 1.869 30 10 HDEE C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)NCCN/C(O)=C1\N=CC=CC1=O 779570281 NWXQOVWDNFFMIF-OVZRNVPMSA-N 421.498 1.458 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NCC1CCN(S(=O)(=O)C(F)F)CC1 779935363 HWOZQMDAJHSWKZ-KRWDZBQOSA-N 423.482 1.629 30 10 HDEE Cn1cc(/C=C\C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)c(=O)n(C)c1=O 782835301 KPQQEGWSMUDKNO-XQRVVYSFSA-N 410.821 1.447 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCCCNC(=O)OC(C)(C)C)CC2)c1C#N 788103114 OSINKYQZULEYHZ-UHFFFAOYSA-N 405.503 1.347 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=C2CCN(CCC(=O)OC)CC2)nc1 788704100 LEBXCTCFHLWFED-UHFFFAOYSA-N 411.528 1.539 30 10 HDEE C[C@@H](CC(=O)NC1CC(N2CCCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 794207916 VENPJQQFJMNNFI-FHERZECASA-N 404.536 1.637 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2)N(CCC2(O)CCOCC2)C1=O 795174385 AAXAWCXTQOPYCE-OAHLLOKOSA-N 409.483 1.825 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CCO[C@H](C(F)F)C2)n1 802588004 KFUVFSJWNKGLDH-ZDUSSCGKSA-N 409.780 1.828 30 10 HDEE N#CCOc1cc(F)ccc1NC(=O)C(=O)NC[C@@H]1CCC2(CCOCC2)[C@H]1O 802625799 IEOHPPNNDAACIV-GUYCJALGSA-N 405.426 1.350 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)c1cnc2c(c1CC)c(=O)n(C)c(=O)n2C 803523367 ONQVJXKOKINBEZ-MRXNPFEDSA-N 404.470 1.559 30 10 HDEE CN(CCc1noc(C2CN(Cc3ccc(C#N)cc3)C2)n1)C(=O)C1CCOCC1 826779516 XSVRVZDKMVDCSL-UHFFFAOYSA-N 409.490 1.968 30 10 HDEE CN(C)C(=O)c1ccc(NC(=O)[C@@H](C#N)C(=O)c2ccc(-n3cncn3)cc2)cc1 917021483 XFDLTDVLTGNNDS-SFHVURJKSA-N 402.414 1.930 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)C1 1116550659 GVYDEAZNOASFDI-QGZVFWFLSA-N 410.492 1.261 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)C1 1116551931 VCNMVUWDPJUEKY-MRXNPFEDSA-N 410.492 1.133 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1124791060 UTLNAPNVDNTYAY-LPHOPBHVSA-N 422.503 1.272 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)nn1 1129930544 LCYOAHLOENOQPD-GJZGRUSLSA-N 419.507 1.192 30 10 HDEE N#Cc1nc(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)ccc1Br 1130036673 MLMHXVKUBCGNRU-YIKOMLBNSA-N 419.235 1.207 30 10 HDEE CC[C@@H](C)NC(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1136161528 OTKVXXVKKFNSMO-IAGOWNOFSA-N 423.558 1.632 30 10 HDEE C=CCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@H](Cc1ccccc1)C(=O)OCC 1138239148 SMKVOVODDSTXCF-GOSISDBHSA-N 424.457 1.400 30 10 HDEE C=CCOC[C@H](NC(=O)[C@]1(C)CCN(C(=O)OCc2ccccc2)C1)C(=O)OC 1139176125 SMJKODQEDURFOP-LAUBAEHRSA-N 404.463 1.896 30 10 HDEE N#Cc1cnn(-c2ccccc2NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)c1N 1140312348 ASDHZDZTGUNWLG-CQSZACIVSA-N 401.430 1.708 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCCOCCCO 1140492394 JCUGCYXADGKPPP-SFHVURJKSA-N 403.479 1.908 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)C(=O)OC(C)(C)C)cc1 1142407595 ZAYOUPFSRNKVMZ-CQSZACIVSA-N 406.504 1.933 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C1)CN(C(=O)[C@@H](O)c1ccc(C#N)cc1)CCO2 1160315012 FMMUKXIKHBGDLI-LAUBAEHRSA-N 401.463 1.830 30 10 HDEE C#CC[C@H](NC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)CC2)nn1)C(=O)OC 1161365477 UCCHQNFYNSTNJE-AWEZNQCLSA-N 405.455 1.145 30 10 HDEE Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1 1162107093 DODBQXHKCXLKSE-MRXNPFEDSA-N 414.531 1.958 30 10 HDEE CN(CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Cc1cccc(C#N)c1 1162121411 LDXNBFUCWQIVKR-UHFFFAOYSA-N 402.432 1.446 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@H]1CCN1C1CCCCC1 1166988077 NULBQLCRFWOVOA-CRAIPNDOSA-N 404.536 1.748 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCC1CCC(O)CC1 1167748887 KNUAWCAQSQDEPA-DQPZFDDXSA-N 407.536 1.951 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)c2cc([C@@H]3CCN(C(=O)OC(C)(C)C)C3)[nH]n2)C1 1177758546 CHIILMRFIVFTCW-HZPDHXFCSA-N 401.511 1.962 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c[nH]c3ccc(Br)cc23)C1=O 1177784508 ADEGAEAZYLWNMY-UHFFFAOYSA-N 405.208 1.846 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCO[C@H](c2ccc(C#N)cc2)C1 1179405286 OSDOUPIBKAEBFS-QRWLVFNGSA-N 424.482 1.697 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NCCn1cc(Br)ccc1=O 1190758882 FWXYYQWCCIFMTM-UHFFFAOYSA-N 400.229 1.600 30 10 HDEE COC(=O)[C@@]1(N2CCN(C(=O)N[C@H](CCC#N)c3ccccc3)CC2)CCOC1 1224537932 PISVHNUAXHGQGS-WIYYLYMNSA-N 400.479 1.691 30 10 HDEE CO[C@](C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)COCc1ccccc1 1230817140 JTEROAJUALZOKE-SXLOBPIMSA-N 421.519 1.188 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](C)N1CCOCC1 1286375233 VQGSXIYBOHKPGN-SFHVURJKSA-N 424.553 1.242 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1Cc1snnc1C 1286468583 BQJDYYGIXBILCD-UHFFFAOYSA-N 400.512 1.434 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)c2c(C)noc2C)CC1 1286480450 XBRCYBYGHWLMKX-YOEHRIQHSA-N 411.510 1.393 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCc2cccnc2)CC1 1286490074 KWOCHBSIGDOGEO-UHFFFAOYSA-N 418.505 1.282 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286766478 RAPXJFMNNIVQOX-MRXNPFEDSA-N 423.539 1.767 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)C)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1286821139 BHSCKQYLBUBXCX-KRWDZBQOSA-N 411.572 1.382 30 10 HDEE CC[C@H](C)[C@](C)(O)Cn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1291406077 SWIOMDLDHVSHIC-NLEAXPPASA-N 421.542 1.845 30 10 HDEE C#CCC1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CCCCC1 1292136689 LYQVIOXWKLNQPA-DFBDCSAJSA-N 401.507 1.241 30 10 HDEE CO[C@@H]1COCC[C@@H]1CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N 1298391084 HUBOWGKVTQPICJ-UGXBSWJRSA-N 407.511 1.941 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C(C)(C)O)cc1 1300271714 JSQPBORVCUOBIL-HUUCEWRRSA-N 419.551 1.622 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(C)cc1 1300430612 OQVNRUIRRCUCNV-HZPDHXFCSA-N 405.524 1.734 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)CC)n1CCS(=O)(=O)N1CCSCC1 1300555966 ASVIONKUGPOXFC-QGZVFWFLSA-N 423.608 1.633 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1300572350 SUNOUMUEKGRHFR-UHFFFAOYSA-N 422.514 1.315 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC2([S@](C)=O)CC2)CC1 1300691165 XZGZFNIBRLLHCP-LJAQVGFWSA-N 408.531 1.483 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCN(C(C)C)C(C)C)CC1 1300706420 LSCLGPMSPZVSML-UHFFFAOYSA-N 415.586 1.275 30 10 HDEE C=CCCOCCn1c(N2CCNC(=O)CC2)nnc1[C@]1(OC(C)C)CCOC1 1301262690 YTGDSYRRNHAFPJ-FQEVSTJZSA-N 407.515 1.238 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)on2)nnc1N(C)CCC(=O)NC 1301496862 JAUQBAGNIAWQQA-UHFFFAOYSA-N 423.477 1.475 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2cccc(OC)c2)C1 1301520035 TXGFIMUZLNDJPT-SFHVURJKSA-N 415.494 1.703 30 10 HDEE C=CCNC(=O)Cn1c(N2CCO[C@H](C(C)C)C2)nnc1[C@@]1(OCC)CCOC1 1301520812 PVRMSUBXFWQABK-OXJNMPFZSA-N 407.515 1.094 30 10 HDEE COCCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)cc1 1302131768 UYCNTJXHRBAAIQ-YJBOKZPZSA-N 412.494 1.899 30 10 HDEE C=CC1(CC(=O)N[C@H](CCC2OCCO2)C(=O)OC)CN(C(=O)OC(C)(C)C)C1 1302818825 PBLCIEFYRQQJHB-CQSZACIVSA-N 412.483 1.611 30 10 HDEE C#C[C@H]1CCCN(S(=O)(=O)c2cc3c(cc2Br)n(C)c(=O)n3C)C1 1309627563 QAPDBWFQXJPRKJ-NSHDSACASA-N 412.309 1.673 30 10 HDEE C=CCn1cc(CNC(=O)NCc2ccc(S(=O)(=O)NCC(C)C)cc2)nn1 1312415514 QCJNHWFJMGCNRD-UHFFFAOYSA-N 406.512 1.398 30 10 HDEE COC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)N1CCN(c2ccc(C#N)nc2)CC1 1313385561 TZXAZAPBPNWYDH-INIZCTEOSA-N 409.450 1.303 30 10 HDEE C=CCO[C@@H]1CCN(CCS(=O)(=O)c2ccccc2S(=O)(=O)CCC)C1 1321209739 IXLBSGZNSGVVHW-MRXNPFEDSA-N 401.550 1.921 30 10 HDEE C=CC[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OCC 1328684224 DNGYKRMUJDDJRK-SNVBAGLBSA-N 415.411 1.766 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccccc1C 1358889975 JOMRFOCZSCCNNW-WMZOPIPTSA-N 417.535 1.426 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]1[C@@H]1CCCO1 1358904585 HHKSDIZBFJFWBP-ULQDDVLXSA-N 409.556 1.840 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H](C)C#N 1358913776 YFPPFMVNUVSWCN-HZPDHXFCSA-N 408.528 1.010 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1Cc1cccc(OCC(=O)N(C)C)c1 1358945513 JXNWNPUZDOVASD-UHFFFAOYSA-N 407.478 1.263 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)CCCN2C)[C@H]1CCS(=O)(=O)C1 1358957454 UWMZIVIGZDEGGN-IBGZPJMESA-N 413.547 1.644 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCCNC(C)=O 1358978038 BWVOBXVFPAKQSC-UHFFFAOYSA-N 420.521 1.051 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1CC(C)(C)N1CCOCC1 1359026177 NMRVXDJFLNDQLL-UHFFFAOYSA-N 412.538 1.461 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H]2CCC=CO2)CC1 1359029592 BKVKPZVCPXIMQG-UGKGYDQZSA-N 415.538 1.767 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C(=O)NC)C1 1359188588 QPFMZJCYCHNMDG-JKSUJKDBSA-N 423.583 1.745 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCO[C@H](COC)C1 1359301806 LORMQJXMLZLKHC-KRWDZBQOSA-N 403.458 1.162 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1359304878 MJOJWPUHNVHAJL-FUHWJXTLSA-N 424.505 1.183 30 10 HDEE CC(C)COCCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1360069928 ADUWKAKXTGPVGG-OAHLLOKOSA-N 416.482 1.797 30 10 HDEE Cc1sc(NC(=O)CN2CCC[C@H]2CNC(=O)c2cnn(C)c2)c(C#N)c1C 1460603704 GUOXWWUSSJKKHU-HNNXBMFYSA-N 400.508 1.803 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CC[C@]2(C1)CN(Cc1ccccc1)C(=O)CO2 1460696820 URHSISXIGOLJSJ-URXFXBBRSA-N 421.497 1.801 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(=O)n(C)cn2)cc1 1464340070 IYUXXINQRYYJRQ-XLNRJJMWSA-N 417.491 1.626 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)c1 1465266685 VAVCOQOKHJSCMN-KRWDZBQOSA-N 404.532 1.714 30 10 HDEE CC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)[C@@H](C)C1 1465797900 AYTZTMBGJSKPJU-GGXMVYKUSA-N 404.511 1.852 30 10 HDEE COC(=O)[C@@H](Cc1ccccc1O)NC(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1470336048 RFXMAHWXMSJNSE-MRXNPFEDSA-N 420.418 1.343 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)c1cc(S(N)(=O)=O)cc(Br)c1Cl 1471536824 TXSQBUHOZZQBQR-MRVPVSSYSA-N 411.705 1.807 30 10 HDEE COc1ccc([S@](C)(=O)=NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1471989570 QNMCVXSEIOZMGF-MHZLTWQESA-N 421.500 1.807 30 10 HDEE Cc1cc(N(CCC#N)C(=O)CN[C@](C)(Cn2cccn2)C(N)=O)ccc1Cl 1473873160 YQFHRHXNCOAKLP-LJQANCHMSA-N 402.886 1.625 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 1475544773 GNDSEJJBDOYCJJ-HNNXBMFYSA-N 406.504 1.657 30 10 HDEE C#CCC1(O)CCN(C(=O)NCCN2CCC(NC(=O)OC(C)(C)C)CC2)CC1 1479292332 CNMPEIIZHCFXDM-UHFFFAOYSA-N 408.543 1.535 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1C[C@]1(O)CCN(C)C1 1504963578 YCHOGMPBEQZABK-UZLBHIALSA-N 406.531 1.199 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCc1ccccc1OC 1504998508 JMGZLKJYELPPDM-AEFFLSMTSA-N 415.494 1.982 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCSc1nccs1 1507617545 VSLUETGFKBZPEV-ZDUSSCGKSA-N 411.578 1.889 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1507686998 IRWYWOVMQNCECE-FQEVSTJZSA-N 416.551 1.859 30 10 HDEE C#CCSCCn1c(-c2ccccc2)nnc1N(CC#C)[C@@H]1CCS(=O)(=O)C1 1507746905 GKCDEKAGAXKGSS-GOSISDBHSA-N 414.556 1.938 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](C)C1 1507798311 NUOOOMHBVFHIDM-RZFLPCETSA-N 424.567 1.775 30 10 HDEE C=C(C)CN(CC)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCS(=O)(=O)C1 1507822405 VLSWIURBZGKKJO-MRXNPFEDSA-N 409.556 1.628 30 10 HDEE C=CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](CC)C1 1508161017 KHRXHZZCCBSEQD-GJZGRUSLSA-N 400.570 1.715 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1CCN1CCOC(C)(C)C1 1509607091 ADTLWDRHUABAJN-UHFFFAOYSA-N 417.558 1.657 30 10 HDEE COCCCCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519027737 ZUOKRNWCJPYVOW-UHFFFAOYSA-N 408.466 1.640 30 10 HDEE C=CCCn1cc(C(=O)N2CCNC(=O)[C@H]2c2cccc(Br)c2)nn1 1519444823 HBPCRYOYUAUYBK-OAHLLOKOSA-N 404.268 1.930 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1C[C@H]1CCCN1C(=O)OC(C)(C)C 1539190855 UOIJLDNQROMSMI-MRXNPFEDSA-N 416.526 1.869 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(CC)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1539215771 IPFRKKGEJMGTRZ-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1C[C@@](C)(O)c1ccc(F)cc1 1539415950 IMWPWNBNYFZJOK-IIBYNOLFSA-N 402.470 1.915 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@H]1C 1539613032 SPHLNKMIQUAAMJ-PMPSAXMXSA-N 404.515 1.064 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(=O)NC(C)C 1539988774 DESVPKINJWGMRW-UHFFFAOYSA-N 409.498 1.848 30 10 HDEE Cc1n[nH]cc1CCCNC(=O)[C@@H](CC(C)C)/N=C1/NS(=O)(=O)c2ccccc21 1540725438 WNHMYIZUVZMCAE-QGZVFWFLSA-N 417.535 1.920 30 10 HDEE C=CCn1c(Cc2cccnc2)nnc1N1CCN(c2ccc(C(N)=O)cc2)CC1 1540858864 LZOIYKCBQKMNDU-UHFFFAOYSA-N 403.490 1.875 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](C)Oc1ccccc1F 1541678720 HPOLOCBHPOKBLZ-LSDHHAIUSA-N 416.457 1.752 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)NCCNc2ccc(C#N)cn2)C1 1543450725 ZXBJDWUTXPDEFU-MGPUTAFESA-N 401.467 1.507 30 10 HDEE O=C([C@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1543704635 UKIFJFWNNHEICM-IUCAKERBSA-N 414.343 1.254 30 10 HDEE CC[C@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(=O)NCC1CC1 1545458777 MEBRYYZMAWWEOA-ZDUSSCGKSA-N 409.494 1.853 30 10 HDEE CN(C)C(=O)CCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1552679684 BUPVPPZQDUSRSJ-QFIPXVFZSA-N 421.505 1.402 30 10 HDEE CN(Cc1ccoc1)c1nnc(-c2cccc(C#N)c2)n1CCCNS(C)(=O)=O 1554190236 VIVQPBYREUMTJZ-UHFFFAOYSA-N 414.491 1.985 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O 1557344406 KZXQQFIZYVDSJW-VEVIJQCQSA-N 405.451 1.602 30 10 HDEE C=CCCC[C@H](NC(=O)c1ccc2c(c1)S(=O)(=O)N(CCOC)C2=O)C(=O)OC 1558381724 LTFMCANPRJCIKS-HNNXBMFYSA-N 424.475 1.105 30 10 HDEE CCS(=O)(=O)NCC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1558633529 COPNOPZAHVQQQL-RNFRBKRXSA-N 418.306 1.555 30 10 HDEE COCC[C@@H]1COCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1561595621 DUAQGRHMAGSPKM-LLVKDONJSA-N 407.261 1.886 30 10 HDEE CC1(C)[C@@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)C[C@@H]1OCc1ccccc1 1564615861 CJDKVUSFOYHEGX-ROUUACIJSA-N 423.473 1.771 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NC(=O)Cc2nc(C3CCOCC3)n[nH]2)C1=O 1568440065 LGYLHQAHURBHMV-FQEVSTJZSA-N 420.514 1.943 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC2CC(N3CCOCC3)C2)C1 1570606325 WLXOQNBXTOOGNL-UHFFFAOYSA-N 419.323 1.736 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC(c2ccc(OC)cn2)CC1)c1cc[nH]n1 1583617890 QBXVEGZBXCWLSK-UHFFFAOYSA-N 415.450 1.503 30 10 HDEE C#C[C@@H](NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O)c1ccc(Br)cc1 1584708482 PTBVCBAQVVIDDA-CYBMUJFWSA-N 423.292 1.384 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1S(=O)(=O)NCC#N 1585149058 RGSRYXFYIDCLAL-AWEZNQCLSA-N 406.508 1.174 30 10 HDEE N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1nc(S(N)(=O)=O)c2ccccn12 1586653584 KZTKFGXSQRMHQR-CVEARBPZSA-N 409.471 1.894 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)NC)c1 1587661785 GWPOHWQPWLRJCM-INIZCTEOSA-N 408.506 1.461 30 10 HDEE Cn1cc(C(=O)N2CCN(c3cc(C#N)ccn3)CC2)c(I)n1 1587910185 IMZJAFHQIWBVGO-UHFFFAOYSA-N 422.230 1.254 30 10 HDEE C#CCN(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(C)(C)N1CCOCC1 1587990249 UOSNMOHNGWLUFH-LJQANCHMSA-N 411.506 1.971 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H](C1CC1)N(C)C 1588159421 WFPDLNMGDVRFEX-QGZVFWFLSA-N 410.547 1.683 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CC1(S(C)(=O)=O)CC1 1588162080 IMNACFCXNJMRQV-UHFFFAOYSA-N 423.498 1.379 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N(C)C1CCCCC1 1588638278 QYOBBHZDMUZPIT-KRWDZBQOSA-N 416.526 1.106 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCOC2)n1C[C@H]1CC(=O)N(CCOC)C1 1589216884 ZXYHWURKMASFED-XGHQBKJUSA-N 401.511 1.269 30 10 HDEE C=CCCOCCn1c([C@H]2CCCCO2)nnc1N1CCN(CC(=O)N(C)C)CC1 1594813665 VTHAUZSZGCJPPT-GOSISDBHSA-N 420.558 1.323 30 10 HDEE C=CCCOCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OCC)CCOC1 1594829084 CDULVCGKADZUBW-JXFKEZNVSA-N 421.498 1.164 30 10 HDEE C=CCn1c(N2CCN(C(=O)N3CCCCC3)CC2)nnc1[C@]1(OCC)CCOC1 1595453002 IBPCJPQZIZLNLS-NRFANRHFSA-N 418.542 1.844 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cnn3ccccc23)C1 1595665072 OBVYFQORYDJTQY-KRWDZBQOSA-N 409.494 1.894 30 10 HDEE C#CCN(C(=O)[C@H](CC(C)C)N(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1597138120 IVZUYGQCHQQNTG-HOTGVXAUSA-N 400.541 1.917 30 10 HDEE C[C@@H](NC(=O)Cn1c(=O)c(C#N)cn(CCO)c1=O)c1ccc(Cl)c(Cl)c1 1614708177 IZBJGWVTDLLWIK-SNVBAGLBSA-N 411.245 1.058 30 10 HDEE CC(=O)NCCN(CCS(=O)(=O)c1cccc(C#N)c1)[C@H](C)C(=O)OC(C)(C)C 1617123107 OIXSXCPKEXVEIT-OAHLLOKOSA-N 423.535 1.500 30 10 HDEE CCN1CCN(c2ccc(NC(=O)CN3CCC(C#N)(C(=O)OC)CC3)cc2)CC1 1617961184 PBGMOMHODPFBSX-UHFFFAOYSA-N 413.522 1.546 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCSC1 1620018957 IULYHBKICXQCPI-RYRKJORJSA-N 420.583 1.932 30 10 HDEE COCCOCCn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@H](C)C1 1620080902 MJHVITCOVBXAHJ-INIZCTEOSA-N 401.467 1.617 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN([C@H]3CCC[C@@H]3O)CC2)c(C#N)cn1CC 1625717757 BHEUHJBRODGQMX-HOTGVXAUSA-N 403.483 1.619 30 10 HDEE Cn1cc(-c2ncccc2NC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 1625788054 MQLZJJKNFDHEIG-UHFFFAOYSA-N 424.486 1.940 30 10 HDEE C#CC[C@@H](NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O)C(=O)OC 1626188209 TUVXNFNKJDKVTH-GFCCVEGCSA-N 401.469 1.868 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1628663248 YQRRLCXSVWDGET-SFHVURJKSA-N 403.460 1.546 30 10 HDEE Cc1csc(NCCNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)n1 1629476271 MIFFXXPVUGRNSY-NSHDSACASA-N 407.521 1.497 30 10 HDEE Cn1cc([C@@H](O)CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cn1 1630024751 SLYJFMQDBFOCKK-VEPRFYFGSA-N 403.483 1.357 30 10 HDEE Cc1cc([C@@H]2CCN(C(=O)CCn3cc(C#N)c(O)nc3=O)C2)c(O)cc1Cl 1630194194 KRJKEBNLIWRJAN-GFCCVEGCSA-N 402.838 1.894 30 10 HDEE COC(=O)C1(O)CCN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)CC1 1630745806 JCTBLCBIGLEJSX-UHFFFAOYSA-N 403.284 1.434 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2cccnc2-n2cncn2)s1 1630993113 IMEJARJJIPONNB-UHFFFAOYSA-N 404.477 1.369 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)cc1 1631240795 MOAMJWLOVLNSIE-FQEVSTJZSA-N 420.531 1.547 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCCN1CCCC1=O 1632148706 RQTIWAQLRFVXQY-UHFFFAOYSA-N 406.508 1.024 30 10 HDEE COC(=O)C[C@]1(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CCOC1 1632507413 ZFLAQOIKTWCHKR-SAYDWMHPSA-N 421.494 1.612 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1 1633751337 RQNFSOXUEBXWIN-DOTOQJQBSA-N 406.446 1.285 30 10 HDEE Cc1ccccc1CN1CCO[C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1635937642 DFLTWJJGYUHHLN-UGNPLGLKSA-N 412.490 1.229 30 10 HDEE CON(C)C[C@H](O)Cn1cc(NC(=O)c2cccc(C#N)c2Br)cn1 1636419496 QOGYSXQNVZJNNT-ZDUSSCGKSA-N 408.256 1.624 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)C1 1637184637 JUJBWRCHCOGMEG-HUUCEWRRSA-N 402.513 1.214 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCN2C(=O)OC(C)(C)C)c1 1637652202 GFGDLOBGDDOCNL-OAHLLOKOSA-N 409.508 1.890 30 10 HDEE COC(=O)c1cccc(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)c1OC 1640692016 DPSNMEQRNMSPGR-GFCCVEGCSA-N 417.443 1.659 30 10 HDEE COC(=O)[C@H](CNC(=O)CCC(=O)N(CCC#N)c1ccccc1)[C@@H]1CCOC1 1640750549 BUBTWGZTADVKDP-SJLPKXTDSA-N 401.463 1.655 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](c4nc[nH]n4)C3)C2)C1 1643293004 QCTMEENIBCKIKN-UAWGMYSWSA-N 400.483 1.907 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCS(=O)(=O)C(C)(C)C2)c1 1648091206 ZHVYQPXBPWOEMO-CQSZACIVSA-N 400.522 1.237 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)CCN2CCN(C(=O)OC(C)(C)C)CC2)cc1 1662053168 KERIWIMWIXLGAM-UHFFFAOYSA-N 407.536 1.841 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)CC1 1666807938 CYNKUKTVCZDUQL-GOSISDBHSA-N 400.479 1.548 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c[nH]c3ncc(Cl)cc23)n1 1668983272 MBODLSHKBPWGIO-UHFFFAOYSA-N 407.883 1.883 30 10 HDEE C#CCN1CCC(NC(=O)NCc2cccc(S(=O)(=O)N3CCCCC3)c2)CC1 1676514114 UCQIFTHGWZHYNU-UHFFFAOYSA-N 418.563 1.758 30 10 HDEE Cc1[nH]c2ccccc2c1SCCNC(=O)NCCn1cc(C#N)c(O)nc1=O 1676936000 LCKLRYKGSBKRNA-UHFFFAOYSA-N 412.475 1.702 30 10 HDEE Cc1ccc(Br)cc1CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1683937898 AZZQSOMHNASPMD-XJKSGUPXSA-N 412.309 1.837 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3cc(=O)n4ccccc4n3)CC2)c1C#N 1686932829 BVRRUFHYHSERLK-UHFFFAOYSA-N 409.475 1.363 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)N1C[C@@H](C)C[C@@H](C)C1 1689946891 YPOKYPIUNNJHHD-BBWFWOEESA-N 424.615 1.714 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@]1(N(C)C)CCSC1 1690092358 FQVSPCPIZGTBFP-HXUWFJFHSA-N 420.583 1.037 30 10 HDEE C#CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1690172700 LXGJMALYLVLXRU-SFHVURJKSA-N 416.595 1.655 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1CCC(=O)N1CCOCC1 1690202730 CKVSCSRRNOQJQV-JOCHJYFZSA-N 408.506 1.890 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1690230482 FQSVGDQXKZMTEQ-GOSISDBHSA-N 417.311 1.889 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1690299256 LBUIYRHEUVOYBF-ROUUACIJSA-N 402.543 1.780 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C)C(=O)[C@H]1C 1690299412 QKZSLIOWEWASSC-OAHLLOKOSA-N 406.531 1.456 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1690309714 IKOJJNCNMJCDJC-QGZVFWFLSA-N 416.526 1.413 30 10 HDEE C=C(C)COCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@]1(OC(C)C)CCOC1 1690320458 UHNQKVTWFZQFRP-UWJYYQICSA-N 421.542 1.578 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1690666832 IBYZFVYSLBJRJH-AWEZNQCLSA-N 400.458 1.443 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(C)COCCO1 1692665659 YDWHLFWSXADJBM-IFXJQAMLSA-N 418.523 1.813 30 10 HDEE CC[C@@H]1CCCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1 1694841743 DPQIQQRWSCAMQU-GUXCAODWSA-N 403.506 1.936 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCOC[C@@H]1CCCO1 1696871774 QZZXFKAGUGDYMC-DLBZAZTESA-N 400.483 1.598 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CC(C)(C)C(=O)NC)C1 1696941917 HVPXTDIHTZVIJT-QGZVFWFLSA-N 423.521 1.551 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1CCC(OC)CC1 1698172075 UKXXLHXENKWRLN-FCCDEINASA-N 407.515 1.936 30 10 HDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCS(=O)(=O)N(C)C 1698424817 DZQDMFIHNBDHMS-UHFFFAOYSA-N 422.580 1.897 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@H]2CC=CCO2)cc1 1698488535 DMPSUBAVRYYYNS-SJLPKXTDSA-N 408.462 1.385 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1 1705551598 PGBNPOGGLDTJFE-QZTJIDSGSA-N 407.584 1.618 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CCCOC(F)(F)F)[C@@H]1CCS(=O)(=O)C1 1705560570 LNIJFKQDNNGWES-CYBMUJFWSA-N 408.446 1.955 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C(C)C 1705574697 LBPFFDJZQGGDBC-OAQYLSRUSA-N 401.511 1.164 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2C)n1CCN1CCOC[C@H]1C 1705629503 KUUIDIBKSNWEEI-HXUWFJFHSA-N 411.550 1.984 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(C#N)o2)CC1 1705634742 HUZUCCQRQYZMHH-JOCHJYFZSA-N 424.505 1.587 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccc(C)cc2F)CC1 1705642539 XEUXUYDVODTOLP-UHFFFAOYSA-N 410.497 1.652 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1705658445 PXRKCBOCQZURLV-FUHWJXTLSA-N 413.551 1.258 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](NC(C)=O)C1 1705825675 ZXBFAONHOBRFRA-KRWDZBQOSA-N 404.515 1.212 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccnc2)nnc1N1CCN(c2ccc(F)cn2)CC1 1705899655 BDPBJIQGLIZTNU-UHFFFAOYSA-N 422.468 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1C 1705902562 HGSFSCVAMJDOOQ-KRWDZBQOSA-N 417.535 1.427 30 10 HDEE C=CCNC(=O)Cn1c(Cc2c(F)cccc2F)nnc1N(C)Cc1cnccn1 1705904326 MIPZXIKCAIKYHJ-UHFFFAOYSA-N 413.432 1.876 30 10 HDEE CC[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1709269159 CCWQJUSAMBXTNR-HNNXBMFYSA-N 407.482 1.927 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN1CCC[C@@H](C)C1 1712565973 JRPAZYPDAWCYRS-KURKYZTESA-N 406.531 1.463 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)Oc2ccccc2F)n1CCS(=O)(=O)NC 1722280608 WTMHLEMODCDADM-KBPBESRZSA-N 409.487 1.564 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C(=O)N3CCCC3)n2CCCOC)c1 1722306027 NYKKYVCMJODDQH-UHFFFAOYSA-N 424.505 1.607 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1722331802 UPHRUPAAIINICE-UHFFFAOYSA-N 402.524 1.662 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc2c(c1)OC(C)(C)O2)[C@H]1CCS(=O)(=O)C1 1722367763 XEJZVVGVQRVGNU-INIZCTEOSA-N 416.503 1.769 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CCc1cccc(C(N)=O)c1 1722374553 WWTOXZYDILOGGO-HSZRJFAPSA-N 421.501 1.345 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[C@@H]1COCCO1 1722408011 WYNOSFHBPNWHGO-GOSISDBHSA-N 408.466 1.186 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2CCCC(=O)NC2CC2)CC1 1722443801 AZOKLISWJRVWJE-INIZCTEOSA-N 414.554 1.816 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCCOC2)n1CC1(O)CCS(=O)(=O)CC1 1722514369 ABFJJUBVJNQJKD-INIZCTEOSA-N 412.556 1.514 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722537190 MCOLSJZVKFTIQT-INIZCTEOSA-N 412.556 1.778 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1722577341 DELWUBPVQSRYFH-MSOLQXFVSA-N 400.527 1.890 30 10 HDEE C=CC[C@@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1)c1ccccc1 1722596560 KRUMIESHYHCNSF-ROUUACIJSA-N 408.506 1.347 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCc2ccccc21 1722631768 WIFQGBYQTKQXLI-HZPDHXFCSA-N 418.567 1.962 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1740575927 WUZDVXONIJRTAB-HNNXBMFYSA-N 409.556 1.335 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(CCOC)CC1 1740635055 KVCRIGUEZOQKEN-UHFFFAOYSA-N 416.489 1.810 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1cccc(C(=O)NC)c1 1740685565 OBRVGBUEXKJNIB-IBGZPJMESA-N 411.506 1.666 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1740689106 ZUXLJFZJRZVATC-NPPFBWRTSA-N 415.538 1.428 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCOC(F)F)CC1 1740698444 GDXYYDJRLQWRIP-UHFFFAOYSA-N 407.469 1.524 30 10 HDEE C=C(C)COCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1740792520 YVLUQUSDTCGBBT-QGZVFWFLSA-N 405.524 1.946 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(c2ccc(C)cc2)C(=O)C1 1740964616 RSBWFVHFTBALJL-UHFFFAOYSA-N 412.494 1.278 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)Cc1cc(C)on1 1740990703 DKNONHAUTFQXSY-OAHLLOKOSA-N 409.512 1.706 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCCN(CCC)C(=O)C1 1740991348 UPOTWQQCVGJIBA-UHFFFAOYSA-N 409.556 1.595 30 10 HDEE CCOCCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1747366607 UMCDKULWCBNNCR-FUHWJXTLSA-N 410.478 1.480 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CC1(N2CCOCC2)CC1 1748798190 CRTCXJHDXCQHOS-UHFFFAOYSA-N 414.535 1.204 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](CC)c2ccccc2)n1CCS(=O)(=O)N(C)C 1748830095 OVBBRIOAYPQSFE-LJQANCHMSA-N 413.547 1.784 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCC1CCC(OC)CC1 1748906556 WAZJFRMKSAFVJI-KLAILNCOSA-N 411.572 1.943 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCCC1 1748925309 HAGSQTYGYLKKCB-QZTJIDSGSA-N 407.584 1.762 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cnc3ccccc32)CC1 1748971301 LASWHQCCPNWCOT-UHFFFAOYSA-N 420.521 1.221 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)CCS(=O)(=O)CC 1749126309 AUNMPSIAQYJMGX-RDJZCZTQSA-N 420.539 1.587 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCOC 1749157952 BDGQCWMNFGDYFK-HNNXBMFYSA-N 401.533 1.050 30 10 HDEE C=C(Cl)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C#N)CC1 1749268576 CNKRXVGLWRCCSC-CQSZACIVSA-N 414.919 1.103 30 10 HDEE C=C(Cl)Cn1c(N2CC[C@@H](OCCOC)C2)nnc1[C@@]1(OCC)CCOC1 1749282028 RYZWRQOCQPBNDT-CRAIPNDOSA-N 400.907 1.924 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749397507 XZCHAHONMNVTNF-UHFFFAOYSA-N 409.498 1.622 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1nnn(C)n1 1749544746 MHJKXVHZEKJWPO-UHFFFAOYSA-N 401.500 1.242 30 10 HDEE C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1 1749609230 IRYIWRRHJUSTIL-DZGCQCFKSA-N 413.478 1.872 30 10 HDEE C=CCNC(=O)Cn1c(N2C[C@H](C)S[C@@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1749682706 YUZOKIVECJKGMT-FTRWYGJKSA-N 423.583 1.951 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCCN(C(=O)C2CC2)CC1 1749732283 UXXKSDDSWHKAGC-UHFFFAOYSA-N 407.540 1.205 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1749851272 MQHMQCLILUFRJG-UHFFFAOYSA-N 404.421 1.767 30 10 HDEE CSCc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)c1 1750286119 AEHLTTYCDVDZEH-IRXDYDNUSA-N 412.519 1.869 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]1CCC)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)CC1 1759990726 YZEJYPGCGKHENR-KZEVZHLLSA-N 402.535 1.927 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1CCN1CCN(C)C(C)(C)C1 1760100650 XNOSNALDQDLKQX-MSOLQXFVSA-N 406.575 1.486 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@]1(O)CCO[C@@H]1C 1760214634 WNSBYCBUSKTACE-HXOBKFHXSA-N 422.485 1.719 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccn2)n1C[C@@H]1CCCN(C(C)=O)C1 1760220547 NJFONKVAZGECBP-HXUWFJFHSA-N 404.518 1.985 30 10 HDEE C#CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[S@](=O)CC 1760231760 FXOXZLCMACJLFW-MUUNZHRXSA-N 422.580 1.466 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1cc(C)cc(OC)c1 1760243696 PTUBOQIHVUPVJL-UHFFFAOYSA-N 411.506 1.965 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2Cc2cnn3ccccc23)CC1 1760256452 HEGKTOUEZXICOX-SFHVURJKSA-N 423.521 1.453 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CC(N)=O)C1 1760335435 MTWAOLSYQPGRDJ-RCJHGTSTSA-N 416.526 1.302 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)OC 1760337309 PKTDKBQZRUPOEW-OAHLLOKOSA-N 415.560 1.438 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccco1 1760522534 VVCHFDSRTQSYST-KBPBESRZSA-N 407.496 1.273 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCn1cccn1 1761492095 AESYWBUMCHVWBD-CRAIPNDOSA-N 420.543 1.305 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc([C@H]2CCCO2)n1CCCn1cc(CO)nn1 1767064290 VUMRORBTOGWNQR-LJQANCHMSA-N 422.493 1.812 30 10 HDEE COc1ccc(Cn2c(-c3cccc(C#N)c3)nnc2N2CC(=O)N(C)C[C@H]2C)cn1 1770206334 DZMZDTZQDADJPW-OAHLLOKOSA-N 417.473 1.936 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCOCC(F)F)C1 1770727195 DCVPKCMUVMIMDU-MLGOLLRUSA-N 421.445 1.294 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCn1c(C2CC2)nnc1N1CCN(CC(F)F)CC1 1770832553 CXJMDSIDWLRRMY-FBMGVBCBSA-N 421.452 1.069 30 10 HDEE Cc1cccc(S(=O)(=O)NCCC(=O)N2CCC(N3CCC(C#N)CC3)CC2)c1 1848782621 SFBSYCSYFSXLDJ-UHFFFAOYSA-N 418.563 1.890 30 10 HDEE N#Cc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)cc1F 1850102591 DAAXOMHVTFCMGQ-ZDUSSCGKSA-N 422.404 1.422 30 10 HDEE C=CCN(C(=O)c1nnn(-c2ccccc2OCC)c1COC)[C@H]1CCN(C)C1=O 1850863553 STZLPKOCYXJZPJ-INIZCTEOSA-N 413.478 1.671 30 10 HDEE C[C@@H]1CN(c2ccc(Cl)cn2)NC1=NC(=O)[C@@H](C)n1nnc2ccccc2c1=O 1851739034 GXCUJVKLEHMWIA-VXGBXAGGSA-N 411.853 1.987 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2c(S(C)(=O)=O)c(C)c(C)n2CCCN(C)C)CC1=O 1853335554 DAZNJAKSBRUWSE-INIZCTEOSA-N 424.567 1.433 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)Cc2ccc(OC)c(C)c2)C1=O 1853789235 CRRXAOOHZHCTGE-RTBURBONSA-N 413.518 1.782 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(C3CC3)on2)C1=O 1854098648 HYEOSEDNYDSDFE-IRXDYDNUSA-N 400.479 1.792 30 10 HDEE Cc1cnn(C)c1C(=O)N1CCN([C@H]2CCN(Cc3ccc(C#N)cc3)C2)CC1=O 1854258926 QMTBMSUNRGPJJU-IBGZPJMESA-N 406.490 1.159 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@H]3Cc4ccccc4C(=O)O3)C(=O)C2)c(F)c1 1854323017 CMAAJIFSTXDXJN-LJQANCHMSA-N 407.401 1.650 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCCN(C(=O)c3cccc(-n4cnnn4)c3)C1=O)CC2 1855101080 UMXBRODSFXJXDG-WMZOPIPTSA-N 405.462 1.419 30 10 HDEE N#CC1CCN([C@H]2CCCCN(C(=O)C3CN(c4ncc(F)cn4)C3)C2=O)CC1 1855597428 CTBZHKHSMWYVMW-KRWDZBQOSA-N 400.458 1.195 30 10 HDEE C=CCCC(=O)N1CCCC[C@@H](N2CCC[C@H](n3ccc(=O)n(C)c3=O)C2)C1=O 1855627209 YAGVZYUPAAYJTN-DLBZAZTESA-N 402.495 1.058 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2C[C@@H](CN3CCC(C#N)CC3)CC2=O)C1 1855837308 JDKRDELRUMWNEH-SJORKVTESA-N 420.510 1.233 30 10 HDEE N#CCC(=O)N1C[C@@H](C2CCN(S(=O)(=O)CCOc3ccccc3)CC2)CC1=O 1856075237 IWEKDIQVVXYSKZ-KRWDZBQOSA-N 419.503 1.396 30 10 HDEE Cc1ccc(C(=O)N2CCN([C@H]3CCN([C@H]4CCCCC4=O)C3)CC2=O)cc1C#N 1856581197 QISCJNCSTJHISE-PMACEKPBSA-N 408.502 1.737 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@H](CN3CCN(c4ccnc(F)c4)CC3)CC2=O)c1 1856602585 HWAOAJSWQIKVDM-KRWDZBQOSA-N 407.449 1.903 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@H]3CCC(F)(F)C3)C(=O)O2)CC1 1856708339 VLOLAYXYIGUPCU-STQMWFEESA-N 405.423 1.335 30 10 HDEE CC(C)c1ocnc1C(=O)N1CC[C@H](N(C)C2CN(c3nccnc3C#N)C2)C1=O 1857152364 GERUEFAICDAYDD-HNNXBMFYSA-N 409.450 1.021 30 10 HDEE Cc1nnc(O)nc1N1CCN(CC(=O)[C@H](C#N)c2nc3ccccc3s2)CC1 1859428011 FOPNGUWOKUKJMI-ZDUSSCGKSA-N 409.475 1.494 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)CCc2nc(O)c3ccccc3n2)c1 1867264667 YWMWAACHAWSWNO-QGZVFWFLSA-N 405.414 1.255 30 10 HDEE N#Cc1nnn(-c2ccc3[nH]ncc3c2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870098112 NKLVAXNSEBDRPD-UHFFFAOYSA-N 410.375 1.724 30 10 HDEE C=CCN=c1nc(N2CCN(C(C)=O)CC2)[nH]c(=Nc2cccc(Cl)c2C)[nH]1 1871491900 REMDPGOQQKNXHB-UHFFFAOYSA-N 401.902 1.687 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCCC)cc2c(N3CCN(C)CC3)ncnc21 1873561788 YPCRDAFQHHMXGN-UHFFFAOYSA-N 400.527 1.604 30 10 HDEE C=CCNC(=O)c1cc2c(N(CCOC)CCOC)ncnc2n1CCCOC 1873586901 RHSPGJFDUZHPKB-UHFFFAOYSA-N 405.499 1.483 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)cn1 1882805091 FLJJEALTMOMPEO-QGZVFWFLSA-N 417.443 1.638 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)Cc3ccc(F)c(F)c3)CC2)CC1 1889324360 AGRCHSKMDJXWOG-UHFFFAOYSA-N 405.489 1.766 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(Cc3nnnn3-c3ccc(F)c(F)c3)CC2)c1 1891234600 ZIUSLRMCNJRNHJ-UHFFFAOYSA-N 409.400 1.770 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1C[C@@H](CNS(=O)(=O)c2ccc(C#N)s2)C[C@@H]1O 2116219222 CZTXMJMYNPWYDL-RTXFEEFZSA-N 401.510 1.562 30 10 HDEE COC1CN(S(=O)(=O)Nc2cc(B3OC(C)(C)C(C)(C)O3)ccc2Cl)C1 2161946615 GAWDTYBBHOVGJO-UHFFFAOYSA-N 402.709 1.627 30 10 HDEE CN(C[C@H]1CCN(S(=O)(=O)CC2(C#N)CCOCC2)C1)C(=O)OC(C)(C)C 2174787824 YHHGOPGNXJWMQI-OAHLLOKOSA-N 401.529 1.825 30 10 HDEE C#CCN(C(=O)C1(NC(=O)OC(C)(C)C)CC(F)(F)C1)[C@@H]1CCS(=O)(=O)C1 2180139743 KPDTWZCOCJVQNZ-GFCCVEGCSA-N 406.451 1.328 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]1CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2243384889 YNKZPKKLZDHMGX-LBPRGKRZSA-N 406.292 1.448 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2247819924 KYEZWMYGOXAVIM-GXTWGEPZSA-N 420.319 1.694 30 10 HDEE CN(Cc1ccccc1)C1CN(C(=O)c2cnn(C)c2B2OC(C)(C)C(C)(C)O2)C1 2247840160 IKMRQLUCTAVDCC-UHFFFAOYSA-N 410.327 1.676 30 10 HDEE C#CCN(CC(C)(C)C)S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258176917 YHVKUHADCYSXIH-MRXNPFEDSA-N 410.492 1.677 30 10 HDEE C=CC[C@@]1(CO)CCCN1S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O 2259492328 JLEDSKSCDRFXMQ-FQEVSTJZSA-N 406.504 1.796 30 10 HDEE Cc1c(B2OC(C)(C)C(C)(C)O2)csc1C(=O)NC(C)(C)CS(C)(=O)=O 2281941349 CDXMUSYIDMUREM-UHFFFAOYSA-N 401.359 1.909 30 10 HDEE CO[C@H]1C[C@H](CO)N(C(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281966144 NNNDTCMYKYIMSI-MNOVXSKESA-N 401.721 1.923 30 10 HDEE C[S@](=O)C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)C(C)(C)C 2282010368 XTDFUNSCSWFGFC-QDXKXIGTSA-N 400.375 1.965 30 10 HDEE Cc1cc(S(=O)(=O)N=[S@]2(=O)CC[C@H](N)C2)sc1B1OC(C)(C)C(C)(C)O1 2282320379 HRIYDUZJBLCMJE-FTJNGKRUSA-N 420.387 1.243 30 10 HDEE C[C@H]1CN(C)[C@H](C)CN1S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282329929 STAIMYFFLQLHJE-OLZOCXBDSA-N 400.375 1.760 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N[C@H]3CCC[C@@H](N)CC3)c2)OC1(C)C 2282346592 WWTBGRMWGOKSJE-KGLIPLIRSA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H](CCO)C(F)(F)F)s2)OC1(C)C 2282351759 FTZDMDKTRJXDDM-VIFPVBQESA-N 415.264 1.639 30 10 HDEE C[C@H]1[C@H](N)CCN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282491726 OSALRZLTGXTMGZ-XHDPSFHLSA-N 400.737 1.749 30 10 HDEE C[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282504393 ODBHNQJKYMAQTI-NSHDSACASA-N 423.387 1.149 30 10 HDEE Cn1ncc(C(=O)N2CCCC[C@@H]2C2(C)OCCO2)c1B1OC(C)(C)C(C)(C)O1 2282569804 WYAFBVXKBBLUPF-OAHLLOKOSA-N 405.304 1.477 30 10 HDEE CC[C@H]1[C@H](CO)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282855426 DPDHJBFGEORRMQ-JSGCOSHPSA-N 401.359 1.829 30 10 HDEE C=C(CS(=O)(=O)N[C@H](CN)C(F)(F)C(F)(F)F)B1OC(C)(C)C(C)(C)O1 2282883339 ZBHMYZJFVVLSKC-SECBINFHSA-N 408.198 1.618 30 10 HDEE C=CCN(CC(=O)O)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2284414113 OXSKTILIDPMQGQ-UHFFFAOYSA-N 401.315 1.617 30 10 HDEE C#CCN(C[C@@H](N)c1nc(Br)nn1CCOC)C(=O)OC(C)(C)C 2308014250 HIHBUOIAKPCSHG-LLVKDONJSA-N 402.293 1.557 30 10 HDEE C[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@H]1C(=O)O 2359401101 SVIGXFWUDRIXEN-OUAUKWLOSA-N 401.315 1.435 30 10 HDEE CC1(C)OB(c2cc(F)ccc2S(=O)(=O)NCCSCCO)OC1(C)C 2360814489 MPOLDKORJAEZHO-UHFFFAOYSA-N 405.322 1.129 30 10 HDEE CCc1csc(C#C[C@H](NC)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)n1 2363924390 KYOYKFYNQHBJBC-GOEBONIOSA-N 413.565 1.583 30 10 HDEE CC(C)(C)OC(=O)NCC12CC([C@@H](N)C#CC(C)(C)S(C)(=O)=O)(CCO1)C2 2365206846 JOONBAMQAFOAEI-YCMKEVRSSA-N 400.541 1.604 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@]1(O)CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 2365210129 JJOPKHYHNLLSOD-CLCXKQKWSA-N 402.557 1.552 30 10 HDEE Cc1cc([C@@H](C#CC2(S(C)(=O)=O)CC2)NN)ccc1I 2367855018 DPGPQABIERTHKF-CYBMUJFWSA-N 404.273 1.685 30 10 HDEE CC(C)(C)OC(=O)NC[C@]12C[C@H](C1)[C@@H](C(=O)N[C@H](C(=O)O)C(C)(C)S)CO2 2368953156 FIXDGQCMENBRLX-FNNWNWGMSA-N 402.513 1.584 30 10 HDEE COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccccn2)c1 5800169 SATNHUMUZPPRDZ-GOBJLOIFSA-N 423.469 1.844 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(CC(=O)NCc2ccccc2)CC1 29011503 AISVZCRFCLGXBQ-GOSISDBHSA-N 406.486 1.786 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)COc2ccc(Cl)c3cccnc23)CC1 55078787 GDKXEUOKFXSGPF-UHFFFAOYSA-N 402.882 1.713 30 10 HDEE C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)NC(=O)OCC 253573205 RDRONONFPHJDIE-UHFFFAOYSA-N 401.452 1.622 30 10 HDEE N#CC1CCC(CNC(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 441012710 RPLQXWZBMDOYOD-UHFFFAOYSA-N 413.526 1.475 30 10 HDEE CN(C)CC1(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CCCCC1 460290508 UFPXRDVRHQQKCN-UHFFFAOYSA-N 418.563 1.903 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)CNC(=O)c2ccc(F)cc2)cc1 461676039 VRWUCFOXOXIPQG-QGZVFWFLSA-N 412.446 1.967 30 10 HDEE CC[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CCOCC1 470045036 JLEFQNQXZMJGEU-SFHVURJKSA-N 420.535 1.779 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@](C)(O)C1CCCCC1 484410590 DPUVHHKHYYDDKD-NRFANRHFSA-N 403.479 1.969 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CNC(=O)NCc2ccco2)cc1 502410092 LKFRLDCFCTVCNP-INIZCTEOSA-N 413.459 1.491 30 10 HDEE CN(Cc1cccc(C#N)c1)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1 506220895 CZGQHONTDZSSCS-INIZCTEOSA-N 413.455 1.816 30 10 HDEE CCc1nn(C)c(CC)c1CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1 506806917 SJHVLWOAPBEBDK-UHFFFAOYSA-N 401.536 1.923 30 10 HDEE C=CCn1c([C@H]2COc3ccccc3O2)nnc1N(C)C[C@H]1CCS(=O)(=O)C1 508868603 WAVDREYAKBVQRS-RHSMWYFYSA-N 404.492 1.848 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 508906641 HMJFWQADMIMRHQ-KRWDZBQOSA-N 400.439 1.787 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 508917336 JBFZBNTZQZLLNF-ZWKOTPCHSA-N 404.515 1.907 30 10 HDEE C=CCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)Cc1ccnn1C 508951403 MNMSFDVUJLTJCE-UHFFFAOYSA-N 400.512 1.794 30 10 HDEE C=CCN1C(=O)COc2ccc(C(=O)C[S@](=O)CC(=O)NC3CCCC3)cc21 526845754 OFZXGPNLZLOTRA-NDEPHWFRSA-N 404.488 1.588 30 10 HDEE N#CC1(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)cc2)CC1 538535604 RMEIGHIHBQIWEY-UHFFFAOYSA-N 424.482 1.615 30 10 HDEE CC[C@@H](C)[C@@H](NC(=O)c1ccc(C2(C#N)CC2)cc1)C(=O)NCCN1CCOCC1 539675035 OLVXRYFNHMTTIU-YLJYHZDGSA-N 412.534 1.835 30 10 HDEE C[C@@H]1CC[C@@H](C(N)=O)CN1CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 540469340 QGEFVVZQVAWODT-SUMDDJOVSA-N 401.486 1.120 30 10 HDEE CC[C@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccn(-c2ccc(Cl)cc2C#N)n1 541175459 MWGJOQUTLQFXHD-LBPRGKRZSA-N 416.869 1.757 30 10 HDEE CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NCCS(=O)(=O)c1ccccc1 550927462 BDMQQRGEZRNWAP-UHFFFAOYSA-N 413.499 1.887 30 10 HDEE COCC1(c2noc(-c3ccc(S(=O)(=O)NCCC#N)cc3)n2)CCOCC1 551525181 ZZQVBBCLTCHLNR-UHFFFAOYSA-N 406.464 1.623 30 10 HDEE COc1ccc(S(N)(=O)=O)cc1C(=O)N(C)CCOCc1ccc(C#N)cc1 558129835 NLYYDMHKLRGXJU-UHFFFAOYSA-N 403.460 1.503 30 10 HDEE CN1C(=O)C[C@@H](NC(=O)NCCn2cnc(C#N)n2)[C@@H]1c1ccc(Cl)c(F)c1 561631146 JIDKFCOWPOWMSM-CJNGLKHVSA-N 405.821 1.213 30 10 HDEE N#CCN(C(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21)C1CC1 562241171 JQGXOGPFBAZPND-YRYYUTHUSA-N 401.466 1.980 30 10 HDEE COc1cc(C#N)ccc1OCC(=O)N1C[C@@H](C[C@H]2COCC(=O)N2)c2ccccc21 574597902 ORPJJMMWBJPJMU-SJORKVTESA-N 421.453 1.981 30 10 HDEE CON[N+](=O)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccccc1 585088875 DTPQJAJOQDKPOQ-LJQANCHMSA-N 419.483 1.372 30 10 HDEE C[C@H](O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 609885324 HRXYIARTCGGJJU-HNNXBMFYSA-N 405.520 1.578 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)c4ccccc4n3)CC2)C[C@@H](C)O1 609891553 DSVMVXMZHAKZOM-IYBDPMFKSA-N 415.519 1.582 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)OC)C1=O 610823325 AOFHZGQYPVRULB-OAHLLOKOSA-N 401.419 1.020 30 10 HDEE N#CCN1CCC(NC(=O)N2CCC[C@@H](S(=O)(=O)Nc3ccccc3)C2)CC1 611624171 QMENKFJTAJZOAA-GOSISDBHSA-N 405.524 1.590 30 10 HDEE CNS(=O)(=O)Cc1ccc(CNS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 616407465 WSZGSZDKKDFEKE-UHFFFAOYSA-N 411.480 1.366 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NC[C@H]3CCCN3C)nnc12 620219647 BKKZWBDSYFYCLB-CQSZACIVSA-N 412.519 1.533 30 10 HDEE COC(=O)[C@H](NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)c1ccc(C#N)cc1 739990848 SXCKKVJBTISXDA-HXUWFJFHSA-N 406.442 1.134 30 10 HDEE CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)N1CCN(C2CC2)[C@H](C#N)C1 742665317 MPBIZTITXLQQPU-JKSUJKDBSA-N 405.524 1.178 30 10 HDEE COc1ccc(N2CCN(CCNC(=O)C(=O)Nc3cc(C#N)ccc3C)CC2)cc1 746995426 BXFFYRMHIFAPCZ-UHFFFAOYSA-N 421.501 1.752 30 10 HDEE C#CCN(CC#C)C(=O)c1ccc(NC(=O)C[C@H]2SC(N3CCCC3)=NC2=O)cc1 752150373 TWLPEDWJYGUAMO-GOSISDBHSA-N 422.510 1.818 30 10 HDEE CNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C#N)c1 754377766 AAKLUUFPPKWOBV-CQSZACIVSA-N 408.480 1.180 30 10 HDEE N#CC1(CS(=O)(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 759003178 DLTZKFAZLRTTAP-QGZVFWFLSA-N 404.536 1.892 30 10 HDEE Cc1nc2[nH]n(C)c(=O)c2c(C)c1CC(=O)Nc1cnn(-c2ncccc2C#N)c1 764431502 ZNYDFSJLTHZNRY-UHFFFAOYSA-N 402.418 1.512 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)OCC(=O)Nc1ccccc1F 767638486 SVHUVMNWSNYNBG-GFCCVEGCSA-N 405.407 1.546 30 10 HDEE CCc1c(C(=O)OC[C@H](C#N)Cc2cccs2)cnc2c1c(=O)n(C)c(=O)n2C 772734140 CHEGOJLFUYIBMG-LBPRGKRZSA-N 412.471 1.795 30 10 HDEE C#CCN(C(=O)Nc1ccc2ccn(CC(=O)NC)c2c1)[C@@H]1CCS(=O)(=O)C1 774053836 ROLVJAVLTHZVQS-MRXNPFEDSA-N 402.476 1.042 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O 776142320 KXBVYBAZPLJWGA-UHFFFAOYSA-N 407.473 1.344 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCCNc1ncccc1C#N 777308460 WDRFZUBVHPCPQB-HNNXBMFYSA-N 417.466 1.424 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 780690417 ZKUCGDIPDAXCCH-JKSUJKDBSA-N 413.540 1.608 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCN(C2CC2)[C@@H]1c1cccc(OC)c1 783016599 IXYZHPXVDDYJRW-RBUKOAKNSA-N 407.536 1.873 30 10 HDEE COc1ccc(CNC(=O)C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1C#N 785575677 WNFMATNLOOVBBJ-HXUWFJFHSA-N 422.485 1.373 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)n1 789324922 YCTUXDMLAYLSGU-NRFANRHFSA-N 412.490 1.787 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)N1CCO[C@H](C#N)C1)c1ccccc1 800064194 SWXZEHFYKZNZNE-CVEARBPZSA-N 410.496 1.311 30 10 HDEE COCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 802475273 GVWKVUYVPAVAIX-QGZVFWFLSA-N 412.494 1.785 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc(C(N)=O)cc2)N([C@@H]2CSC2(C)C)C1=O 802720402 HAUQZPUDMFYOFX-CHWSQXEVSA-N 406.533 1.747 30 10 HDEE C#CCC(CC#C)C(=O)OCC(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1 803699640 KOCHMHUDPAIZOS-UHFFFAOYSA-N 423.513 1.592 30 10 HDEE CN1CC[C@@H]2CN(C(=O)CCCCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2C1 812338798 QNWALEMEQBSHFB-SJORKVTESA-N 418.563 1.696 30 10 HDEE Cc1nn(C)c(Cl)c1CN(C)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 816389187 AGFNOFAHHRVTNV-UHFFFAOYSA-N 409.899 1.469 30 10 HDEE COc1ccc(NC(=O)[C@@H](C#N)C(=O)Cn2cnc3c(cnn3C)c2=O)cc1Cl 916936854 BCILKFDEOJWOPC-NSHDSACASA-N 414.809 1.140 30 10 HDEE COc1cccc(C(=O)CSc2nnc(NN=Cc3ccc(O)cc3O)n2N)c1 1084231312 FYIBDRCFESMRND-UHFFFAOYSA-N 414.447 1.833 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 1125207154 WTBCCWTWRFABND-SFHVURJKSA-N 407.898 1.861 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N(c2cc(Cl)ccc2C)[C@@H](C)COC)C1=O 1132031146 GUZVTFXCBNBJLM-ZDUSSCGKSA-N 407.854 1.993 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCN(C(=O)CCN/C(O)=C3/N=CC=CC3=O)[C@@H]2C1 1142158242 AEGZEBGLQDXVPV-LKXWOGMASA-N 404.467 1.371 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)[C@H]1CCOc2ccc(Br)cc21 1146862849 ZTQBAKOAGHEYNC-STQMWFEESA-N 406.236 1.333 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CC(C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)=NO2)C1 1151625035 HISBVPIWCUAQMI-HRAATJIYSA-N 417.510 1.731 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc3nc(C(C)(C)CO)[nH]c3c2)n1 1156618826 VEYMZXIXCNJCFQ-UHFFFAOYSA-N 409.490 1.951 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@](C)(Cn1cccn1)C(=O)OC 1158752824 UADPMOLVGVNRPL-UGSOOPFHSA-N 414.890 1.967 30 10 HDEE N#Cc1cn(C2CN(C(=O)CSc3ccc(C(F)(F)F)cn3)C2)c(=O)nc1O 1159491148 VPDGQDRGNKCPNI-UHFFFAOYSA-N 411.365 1.410 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3[C@@H](C)[C@H](C)N(C)C(=O)[C@H]3C)ccc2c1=O 1163827070 HYCMKUYTAQTQFF-RWMBFGLXSA-N 400.504 1.951 30 10 HDEE C[C@@]1(c2cccc(Br)c2)C[C@H]1C(=O)NCCn1cc(C#N)c(O)nc1=O 1167527069 IDLZMKAISLWPRO-KSSFIOAISA-N 417.263 1.677 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCCCC(=O)c2ccc(OC)cc2)CC1 1175515012 NQJXUMOBBFVFCN-UHFFFAOYSA-N 421.519 1.050 30 10 HDEE COC(=O)[C@H]1CN(C(=O)OC(C)(C)C)CCCN1S(=O)(=O)CC1(CC#N)CC1 1190069447 GMSKCIVIVXMAEZ-CQSZACIVSA-N 415.512 1.494 30 10 HDEE C=CCC[C@H](NS(=O)(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1190403122 PYMNBNMFUDVPAK-CABCVRRESA-N 420.528 1.440 30 10 HDEE N#Cc1ccc(N2CC[C@H](N3CCC[C@@H](C(=O)N[C@H]4CCC[C@H](O)C4)C3)C2=O)cc1 1197600389 DCHHWLVOBITOMU-ZFMNYDKASA-N 410.518 1.795 30 10 HDEE N#Cc1ccc(CNC(=O)N2CC[C@@]3(CN(Cc4ccccc4)C(=O)CO3)C2)nc1 1229560046 HHPKHUCJJBHBKS-QFIPXVFZSA-N 405.458 1.666 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN([C@H](C)C(=O)N(CC)CC)CC1 1270325311 BKOBICPCMLOGTE-RTJUMIHMSA-N 401.551 1.593 30 10 HDEE C#CCCCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(=O)Nc2cc(C)on2)CC1 1286346951 FQYFTOIUIKEIMW-UHFFFAOYSA-N 422.493 1.744 30 10 HDEE C#CCN(C)c1nnc(-c2nn(CCC)c(=O)c3ccccc23)n1CC(=O)N(C)C 1286369412 PAAPKMKQKQIBMH-UHFFFAOYSA-N 407.478 1.223 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 1286372329 QKNGXRZJQNZVCL-PMPSAXMXSA-N 416.526 1.944 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1COc2ccccc2O1 1286376307 JFVSUBQKGQFOSR-LSDHHAIUSA-N 402.476 1.090 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1([S@@](C)=O)CC1 1286416082 JNINXQMYKSMIFM-MUUNZHRXSA-N 400.479 1.980 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCNC(=O)C(C)C 1286419518 ZXJDEKVOVWPMNW-UHFFFAOYSA-N 407.478 1.161 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)N1CCOCC1 1286436052 SKXVJTFFORTQDL-UHFFFAOYSA-N 424.505 1.466 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1CCS(=O)(=O)CC 1286459686 FVPTUKSDMCANLC-UHFFFAOYSA-N 401.492 1.337 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCC(=O)NCCC)CC1 1286474874 SMXFWEVVPPADOT-UHFFFAOYSA-N 415.929 1.665 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1286486106 IHAZTFVAMCMXLS-SFHVURJKSA-N 414.554 1.626 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCCN2CCCC2)CC1 1286490544 XNRJNQPLMXGYTH-UHFFFAOYSA-N 421.549 1.792 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N1CCC(CCC(N)=O)CC1 1286494768 PBQUWOZWSAYCOO-UHFFFAOYSA-N 418.567 1.362 30 10 HDEE C#CCSCCn1c(-c2ccccc2OC)nnc1N1CCN2C(=O)OC[C@H]2C1 1286503948 KXOBGXFSZFKYDT-OAHLLOKOSA-N 413.503 1.961 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1C[C@@H](C)[C@@H](F)C1 1286552963 OMLUBIPFBFHTKK-OWYFMNJBSA-N 415.535 1.664 30 10 HDEE C=CC1CCN(c2nnc(Cc3cccnc3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1286662351 HCRRUWXOFYKXHM-FQEVSTJZSA-N 417.535 1.216 30 10 HDEE C=CCN(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCC(=O)N1CCOCC1 1286717959 RGLKRZVOELMYJL-UHFFFAOYSA-N 415.494 1.833 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2OC)nnc1N1CCOC[C@@H]1C 1286782855 BCRUIWORDDCCEN-AWEZNQCLSA-N 401.467 1.490 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCc2c(ccnc2O)C1 1286788949 KUWFYXOVLBTPBW-UHFFFAOYSA-N 422.464 1.974 30 10 HDEE C=CCSCCn1c(-c2cccc(C)n2)nnc1N1CCN(S(C)(=O)=O)CC1 1286830257 KKHLLHPVJPFBSU-UHFFFAOYSA-N 422.580 1.649 30 10 HDEE CC(C)(C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H](Cc1ccc(F)cc1)C(N)=O 1287013242 ZERJVQCJFZSGIR-DOTOQJQBSA-N 414.485 1.788 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)N1CCCCC1 1288168009 HZDYGZPZWIEVKL-MRXNPFEDSA-N 403.531 1.410 30 10 HDEE CCN1CCN(CCCCn2c(-c3ccc[nH]3)nnc2N2CCO[C@H](C#N)C2)CC1 1296194891 HSMYEGXOCBOTEF-GOSISDBHSA-N 412.542 1.420 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CC3(Cn4cnnn4)CCCCC3)C2=O)cc1 1297333622 GMAKGEOONVNDNW-IBGZPJMESA-N 421.505 1.803 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1300308401 OMDQDCQMUZTGQH-OKZBNKHCSA-N 402.543 1.183 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCCO2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1300547220 IPXPOMINTRMKPP-IEBWSBKVSA-N 409.465 1.686 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H](C(N)=O)C1 1301239773 TYXUCVLOTNICDR-HNNXBMFYSA-N 413.482 1.220 30 10 HDEE C=CCn1c(N2CCN(C[C@@H]3CCCO3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1301474329 ZWLZXVXDVNZCSN-GHTZIAJQSA-N 405.543 1.806 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1301556341 HDNXIQCBBKMHJZ-SJORKVTESA-N 410.540 1.388 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)C)C1 1301587399 VCIFCGRVUBLOJT-KRWDZBQOSA-N 423.583 1.572 30 10 HDEE CS(=O)(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1302494364 JBRKSHWJBOSQPN-IRXDYDNUSA-N 416.507 1.124 30 10 HDEE CC(C)N(C)CCn1c(-c2cnn(C)c2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1303275472 YCFCRWPHVQREIF-UHFFFAOYSA-N 421.509 1.554 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCNS(C)(=O)=O 1303628322 BSTBVXFUIXLTGR-AWEZNQCLSA-N 413.507 1.781 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CC3(CCOCC3)CC[C@H]2CO)c1 1303903438 OHWLAVJSTCYGLJ-AWEZNQCLSA-N 410.467 1.517 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1305002157 QSSQUZIGZQPDJI-QGZVFWFLSA-N 415.515 1.536 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cc(Br)cc(C(N)=O)c1)C(=O)OC 1309762290 SCICJWHNYPJFLP-LBPRGKRZSA-N 405.270 1.334 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1Cc1cnn2ccccc12 1316099798 DJFBAOVABLDUFQ-UHFFFAOYSA-N 403.450 1.798 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)COc1cccc(Br)c1 1353197530 CEZCTWQQPPIJET-UHFFFAOYSA-N 406.240 1.898 30 10 HDEE Cc1cc(C#N)cc(C)c1CC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1355761368 SEJCFHSTHZUMLZ-UHFFFAOYSA-N 415.519 1.293 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCC(C)(C)C 1358890281 NHTWQJUDCAKLBY-HOTGVXAUSA-N 411.572 1.895 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)Oc2ccccc2F)n1C[C@@]1(O)CCOC1 1359019349 SANNIUGJOXFTNQ-IERDGZPVSA-N 418.469 1.795 30 10 HDEE C=C(Br)Cn1c([C@H](C)OCCOC)nnc1N1CC[C@@](C)(C(N)=O)C1 1359077546 FKSLVXOJHVMKIR-BLLLJJGKSA-N 416.320 1.612 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)c2ccccn2)CC1 1359140592 GVOHJGFLIFLYAK-UHFFFAOYSA-N 417.901 1.526 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)NC)CC1 1359295926 RLSPEFROYVAUER-UHFFFAOYSA-N 411.510 1.271 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359631144 QYUFSLQDPRYYII-HDICACEKSA-N 410.478 1.541 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)[C@H](C)CC#N)n1Cc1ccc(-c2nc[nH]n2)cc1 1360162808 SZRMNZQFFLHILN-CQSZACIVSA-N 407.482 1.988 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC1CCOCC1 1360693091 FGNJFRZLKDVGKR-RDTXWAMCSA-N 410.544 1.445 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](C#N)C1 1360799429 YPRQHAYGNASOBL-IAGOWNOFSA-N 405.462 1.460 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2s1)C(C)C 1443429138 QDXVHBVJQPHPNE-OAHLLOKOSA-N 404.536 1.727 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(C[C@H]2C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 1443536245 KVXIPZMAKRFRGV-KKEDAOPRSA-N 418.494 1.666 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O 1448193586 OAAMTLPKMQZBQX-KFWWJZLASA-N 401.529 1.127 30 10 HDEE C=CCOc1cccc(NC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)c1 1464438692 GIAGJNKWBHUNRR-UHFFFAOYSA-N 423.878 1.921 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)NCCc2ccc(OC)c(OC)c2OC)CC1 1468548840 HUDGETRPOXIDKF-UHFFFAOYSA-N 405.451 1.743 30 10 HDEE C=C[C@@H](C)ONC(=O)c1cc(S(=O)(=O)N2CCN(CC)CC2)ccc1Cl 1469732460 HFNZTEGHMHPGJS-CYBMUJFWSA-N 401.916 1.902 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2ccc(N=c3cc[nH]cc3)cc2)cc1 1470595900 BORPDWRCFCWBQG-UHFFFAOYSA-N 421.482 1.713 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@H](O)CC4(C#N)CC4)C3)[C@@H]2C1 1473743266 GAUUCRLWMTUZHT-VQHPVUNQSA-N 420.510 1.556 30 10 HDEE N#Cc1ccc([C@H](C(N)=O)N2CC[C@]3(CN(Cc4ccccc4)C(=O)CO3)C2)cc1 1473748405 UDFYFJVKOHRIHG-FYYLOGMGSA-N 404.470 1.588 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)c1 1475689975 ITQJAKQJRZYLNL-LJQANCHMSA-N 407.492 1.502 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2ccc(Br)c([N+](=O)[O-])c2)CC1 1475696782 ALBABHDZZDTRPT-UHFFFAOYSA-N 402.270 1.733 30 10 HDEE CC[C@@H](C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1495655422 VJTRKCKYPPGNCS-CQSZACIVSA-N 406.512 1.776 30 10 HDEE Cn1nc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC(F)(F)F)c2ccccc2c1=O 1503685813 HTUVBCMBMZOIJU-NSHDSACASA-N 419.367 1.483 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2C[C@@H]2CC(F)(F)CO2)c1 1505316615 DZNOLDAGIDVTIL-HNNXBMFYSA-N 402.405 1.567 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCc2ccco2)CCO1 1505322070 HWPKSCIFXVBRTK-SFHVURJKSA-N 424.436 1.646 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1507571577 GIJHYZOHUZXYFD-HZPDHXFCSA-N 412.498 1.465 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1507579536 ZKQUJHXOALYGQN-LAUBAEHRSA-N 416.526 1.901 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cnccn1 1507844064 BKXBIECIOZBYFK-OAHLLOKOSA-N 406.512 1.199 30 10 HDEE C=CCCCCn1c(C2CCCC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507936267 ZQXNJCAVZGNIIL-UHFFFAOYSA-N 413.530 1.627 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](C(=O)OC)C1 1507941459 HGNQAHZVZMPZEX-INIZCTEOSA-N 408.466 1.886 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)Cc2ccccc2F)CC1 1508057645 IKWLZOIDLBASPA-KRWDZBQOSA-N 412.469 1.446 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc2ccccc2o1 1508086211 KBQWDRVAORLBHQ-MRXNPFEDSA-N 408.462 1.914 30 10 HDEE CN(C)S(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@](F)(C#N)C1 1517021782 GOAQHTKJVOHFAR-SFHVURJKSA-N 417.470 1.150 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)COCCO2)C1 1517498180 FGXLBPBLWSIUMU-PGRDOPGGSA-N 424.505 1.585 30 10 HDEE COC[C@H](F)Cn1c([C@H]2CCCO2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1518767060 USBUMLZMUCXEFY-IAGOWNOFSA-N 415.473 1.707 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3C#N)CC2)cc1OCC 1519797020 DKKADABVTQQBJR-GDBMZVCRSA-N 407.492 1.477 30 10 HDEE CC(=O)c1cc(C#N)ccc1NC(=O)[C@@H]1CN(C)C(=O)CN1C(=O)OC(C)(C)C 1521710740 AOPSTZCQMWWFFP-INIZCTEOSA-N 400.435 1.777 30 10 HDEE Cc1ccc(F)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1537005610 JWPMJIYWELKWOA-ZUZCIYMTSA-N 401.257 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC[C@@H]1C 1538975573 AGQSOCIKCQCNAM-BBTUJRGHSA-N 405.543 1.497 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1539116066 KGUXPWIYJUHNEJ-AWEZNQCLSA-N 414.466 1.696 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H]1CCCN1S(C)(=O)=O 1539201096 WADFXGBVSIRVKI-BRWVUGGUSA-N 423.583 1.690 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1CC[S@](=O)CC 1539241462 DKBWWUGDFWFQRW-XMMPIXPASA-N 408.325 1.877 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](OC)C1CC1 1539307399 RCUBSFJJTNYKFW-FQEVSTJZSA-N 416.489 1.809 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N(C)C)CC1 1539469544 BPMBOENNKGTVOK-KRWDZBQOSA-N 424.549 1.870 30 10 HDEE C#CCSCCn1c([C@H]2CCCOC2)nnc1N1CCC2(CC1)CNC(=O)C2 1539517696 QXKSQBKNLTXWES-INIZCTEOSA-N 403.552 1.645 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(-n3cccn3)nc2)s1 1540612874 UEUWDPUYHVLETK-UHFFFAOYSA-N 403.489 1.974 30 10 HDEE C[C@H]1C[C@H](Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)C[C@@H](C)O1 1543680308 GVZOUMLNDIYBPE-YVSFHVDLSA-N 402.499 1.333 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2Cc3ccc(Br)cc3C(=O)O2)CCN1C1CC1 1544372038 ROWMESWEAFURCO-HOCLYGCPSA-N 404.264 1.729 30 10 HDEE C#CCN(CC(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)OCC)C1)C(=O)OC(C)(C)C 1544845931 OUJMQQDUVKKEEM-MRXNPFEDSA-N 423.510 1.117 30 10 HDEE COCCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCNC(=O)c1cc[nH]n1 1555476550 FIKFIIOXSOGQRA-UHFFFAOYSA-N 408.466 1.443 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)CSc1ccc(C#N)cc1 1557523082 MUQQBFURWFZZRO-HXUWFJFHSA-N 421.519 1.765 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(Cc2nc(O)c3ccccc3n2)CCO1)C1CCN(C)CC1 1558507421 QMAMGKQXTUMOHK-FQEVSTJZSA-N 423.517 1.092 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)NCc2nc(C#N)cs2)cc1OC 1558599928 LDVPIXZLSCRORB-UHFFFAOYSA-N 410.477 1.017 30 10 HDEE CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1558602125 GAEIZOHOHOHWRT-POAQFYNOSA-N 421.519 1.075 30 10 HDEE COC(=O)CC1(CS(=O)(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CC1 1561703369 CSGSWAOEJLPGIQ-UHFFFAOYSA-N 405.520 1.785 30 10 HDEE Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)n1C[C@H]1CCCOC1 1565630154 SWRRJTAJJWEJAP-QQMHEVNUSA-N 400.479 1.788 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2cccc(C)c2)n1Cc1cn(C2COC2)nn1 1587667881 OIMVCKAJHNOGDI-INIZCTEOSA-N 407.478 1.835 30 10 HDEE C#CCN(C)c1nnc(COc2ccccc2CC)n1C[C@]1(O)CCS(=O)(=O)C1 1588016479 QFTUAHAYRLDBFW-HXUWFJFHSA-N 418.519 1.039 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCCC=C)[C@@H]1CCS(=O)(=O)C1 1588053210 BHZXKHJMQMEQAB-IAGOWNOFSA-N 408.524 1.001 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1cccc(C(=O)NC)c1 1588121022 WZBVTTCGJXMXPL-UHFFFAOYSA-N 401.474 1.354 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(CC)n2Cc2nnc(C)s2)n1 1588724104 UPSUPPNCOGLFHE-UHFFFAOYSA-N 400.512 1.531 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CC2(C)COC2)CC1 1588790954 IIEMOIIMRSWAJX-UHFFFAOYSA-N 411.506 1.754 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1588813771 ZYMQNHCBOWKOIA-QHAWAJNXSA-N 414.598 1.905 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 1593703355 IYVBSKIVPGDADR-UHFFFAOYSA-N 404.559 1.750 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1594668204 FRIQISCXOXQZLP-CYBMUJFWSA-N 416.448 1.887 30 10 HDEE C=CCOc1ccccc1Cn1c(CC)nnc1N1CCC(NS(C)(=O)=O)CC1 1595659077 RPJOGPUOXYRYIW-UHFFFAOYSA-N 419.551 1.972 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1 1595837699 BPESCCONEXHQSW-DNVCBOLYSA-N 409.556 1.720 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)Cc1sc(CS(C)(=O)=O)nc1C 1603299961 FMXTVTJWGGMADX-UHFFFAOYSA-N 405.501 1.540 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cc(F)c(C(F)(F)F)c(F)c3)C2)c(=O)nc1O 1607497858 NUTGJNKTMSXAIX-UHFFFAOYSA-N 400.263 1.815 30 10 HDEE CCOc1ccccc1[C@@H](CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)NC(C)=O 1611159704 NZPODDRRXKCVNG-VPWXQRGCSA-N 419.503 1.049 30 10 HDEE C[C@H](CN1CCOCC1)Cn1c(-c2cnccn2)nnc1N1CCC[C@](C)(C#N)C1 1611620938 CAIHCZMJFGMSCR-DYESRHJHSA-N 410.526 1.833 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOCC(F)F 1611686405 GFALKBLIEYYTOU-XHDPSFHLSA-N 424.449 1.002 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCOC(C)(C)C2)C1=O 1618464734 WENORQKPBJZIPE-JOCHJYFZSA-N 424.505 1.822 30 10 HDEE CS(=O)(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C#N)o2)CC1 1620169898 KZFVAIXEAWUSGG-INIZCTEOSA-N 420.495 1.114 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN(CC(F)(F)F)CC2)s1 1623703424 JRDZHXMJYJWXDO-UHFFFAOYSA-N 411.471 1.461 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CS(=O)(=O)c2ccccc21 1624820082 WHHRGRXSLPIZBE-GDBMZVCRSA-N 406.504 1.980 30 10 HDEE C[C@]1(C#N)CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)CCO1 1626948891 VLKNBRILWWEZBA-KRWDZBQOSA-N 413.883 1.116 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](O)[C@](O)(c1ccccc1)C(F)(F)F 1627389466 BHXMPMYVIYGPNF-QFBILLFUSA-N 406.360 1.799 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1nc(C)cc(O)n1 1628266376 GYLHCEBUPPKYQA-CQSZACIVSA-N 417.491 1.404 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@H](CO)NC(=O)Cc1ccc(F)cc1 1628968689 SIWPBUIOTNSQBL-FQEVSTJZSA-N 413.449 1.392 30 10 HDEE C=CCn1c(SCC(=O)NCCc2nc(N)n[nH]2)nnc1-c1ccc(Cl)cc1 1629230912 TUEFTSUTLQJDKR-UHFFFAOYSA-N 418.914 1.936 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N(C)Cc3ccc(C#N)cc3)c(CCO)c2=O)n1 1629732060 FXDAIDLWSVHZDW-UHFFFAOYSA-N 406.446 1.251 30 10 HDEE Cn1cc(NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cc1C(N)=O 1630307155 FRMSIBFSKBDVSW-UHFFFAOYSA-N 402.252 1.833 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)c1 1631964095 IGBGLQVPYBHPMD-LJQANCHMSA-N 401.492 1.794 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 1636869600 BTGMZLZPOJLDOI-FNHZYXHNSA-N 414.487 1.657 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](COC)c1cccc(Cl)c1)c1cc[nH]n1 1637271878 XJZYDMRMDXVIMT-HNNXBMFYSA-N 408.842 1.851 30 10 HDEE Cn1cc(CNC(=O)[C@H]2C[C@H](O)CN2c2ccncn2)c(-c2ccc(C#N)cc2)n1 1638375647 QASNYCFKODSLSW-ZWKOTPCHSA-N 403.446 1.005 30 10 HDEE C=CCN(C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)[C@@H](C)COC 1638852998 AICFYWSJJUHRRH-GJZGRUSLSA-N 410.515 1.439 30 10 HDEE Cc1ccc([C@](O)(CC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)C(F)(F)F)o1 1639175464 SAVQPEUHNJPLGP-TUKIKUTGSA-N 406.382 1.125 30 10 HDEE Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCc3c(C#N)cccc32)CC1 1639541740 VRBNQQVCEBIKMN-UHFFFAOYSA-N 413.503 1.888 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NC3(CCO)CCOCC3)C2)C1 1640139263 LEWIBHRROGZUHW-NGEICVOHSA-N 407.511 1.821 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)CC(=O)N1CCN(C)CC1 1642675796 FTFMPPRCXMLGOX-AWEZNQCLSA-N 402.923 1.255 30 10 HDEE CCC[C@H](C(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1)S(N)(=O)=O 1644617248 AFJGXKNSSHKHDD-QGZVFWFLSA-N 416.507 1.054 30 10 HDEE CCN(CCC#N)C(=O)CN1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 1648072892 MVCANTPUMUUHLB-DLBZAZTESA-N 403.527 1.929 30 10 HDEE C#C[C@@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1654508473 LLGUFHKWYSVOPK-SFHVURJKSA-N 415.918 1.704 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(OC)cc2NS(=O)(=O)CC)CC1 1664305625 FXKITWVSRXZZMM-UHFFFAOYSA-N 418.537 1.549 30 10 HDEE C#CC[C@@H](COC)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1679137669 WLTGBHZSYKSGRV-LBPRGKRZSA-N 408.398 1.696 30 10 HDEE C#CCN(C(=O)NCc1cn(C)nc1-c1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 1686076741 BJDFMRABCPGQGS-SFHVURJKSA-N 411.487 1.291 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCCCc2ccccc2)CC1 1687071197 DEJUKOVOCUXPMO-UHFFFAOYSA-N 406.552 1.584 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2OC)n1 1687721537 XUASROYCTXTWGX-IAGOWNOFSA-N 405.499 1.682 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1689907632 FYXVIJHZHISKAS-IIBYNOLFSA-N 403.527 1.994 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]1c1cnn(C)c1 1689913638 RWQWSDSNUCPRAP-GOEBONIOSA-N 405.528 1.377 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1COc2ccccc2O1 1690030323 RHFQPUFRWVOXLT-QGZVFWFLSA-N 407.474 1.719 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)c1ccc(F)cc1 1690077710 VCIBJEKRHNUWPV-YWZLYKJASA-N 420.510 1.687 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CCN(C)CCOC)CC1 1690119786 SIILWDCXEAQQMO-UHFFFAOYSA-N 412.538 1.287 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@H](C)N(C)C2CC2)CC1 1690128356 BLKGQYRVFHGBNU-INIZCTEOSA-N 413.595 1.872 30 10 HDEE C=CC1CCN(c2nnc(-c3ccccc3OC)n2CCNS(C)(=O)=O)CC1 1690406498 IKXUUPJTRBGWKY-UHFFFAOYSA-N 405.524 1.905 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C)n1CCS(=O)(=O)NC(C)C 1690558397 OGMUCGPKSWNCOK-UHFFFAOYSA-N 402.524 1.979 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CC[C@H](CN2CCCCC2)C1 1690673099 OBNBIIGYEGMGAW-LJQANCHMSA-N 423.565 1.878 30 10 HDEE CC[C@H](C)N(C)CCn1c(N2CCO[C@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1694206030 UPMWZSAHHGWXOA-UEXGIBASSA-N 420.558 1.778 30 10 HDEE CC[C@H](c1ccccc1)c1nnc(N2CCO[C@H](C#N)C2)n1CCCn1cnnn1 1694262203 YWSSMLSMFLZVGD-QZTJIDSGSA-N 407.482 1.626 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1ccc(OC)nc1 1694733733 HUZAGCZFRZHBRG-UHFFFAOYSA-N 404.478 1.886 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1695498420 RSZDGFJZYAGDFW-NRFANRHFSA-N 407.478 1.154 30 10 HDEE CN(C)[C@]1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCSC1 1696605376 MEBAOAXDIJOLEB-GJYPPUQNSA-N 406.556 1.338 30 10 HDEE CN(CC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1696738590 IDUSBRVEAUDJPJ-UHFFFAOYSA-N 410.478 1.434 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(C)(C)O 1696913669 HXIZLJJETYYKEY-CQSZACIVSA-N 400.483 1.318 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1CC(C)(C)CN(C)C 1698254218 ITASFYQEODWNCN-BBWFWOEESA-N 406.531 1.319 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(COCC)n2Cc2ccn(C)n2)c1 1705507741 JYMQZJBXFHGPJQ-UHFFFAOYSA-N 407.478 1.653 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC(C)(C)O[C@@]2(CCOC2)C1 1705520174 KSUUHULKMCLIDT-QFIPXVFZSA-N 415.538 1.978 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 1705629086 WUMMOZQFZJMJIX-GUDVDZBRSA-N 419.570 1.756 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1CCn1cc([C@H]2CCOC2)cn1 1705629149 YHEFCFILEUUZLQ-ZWKOTPCHSA-N 414.510 1.269 30 10 HDEE C#CCSCCn1c(C2CCCC2)nnc1N1CCN(CC(=O)NCC)CC1 1705659851 IBOOSPRJORUAFS-UHFFFAOYSA-N 404.584 1.560 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(NC(=O)CCC)CC1 1705903319 SHQBVWNSISINQD-INIZCTEOSA-N 418.542 1.359 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)CC1 1705936028 IGRRCJZTFNLQQJ-KRWDZBQOSA-N 411.572 1.161 30 10 HDEE C=CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCNC(=O)C1 1705943002 LOKDIJUNWAURKO-UHFFFAOYSA-N 409.519 1.986 30 10 HDEE Cc1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@](C)(C(N)=O)C2)n(C)n1 1707804103 DCCJUUSTRGHYIV-OAQYLSRUSA-N 404.478 1.609 30 10 HDEE CC1CCN(CCCCn2c(C(=O)NC(C)C)nnc2N2CCO[C@H](C#N)C2)CC1 1708138462 SJXYXOLEPGFVDN-GOSISDBHSA-N 417.558 1.657 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1722302985 MOHVWWOLSKTBDJ-OAHLLOKOSA-N 421.523 1.215 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C)n2)n1Cc1cn(C2COC2)nn1 1722393705 HYKPVDAWHZHAJJ-UHFFFAOYSA-N 402.462 1.323 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(OC)cc2OC)n1CC1(O)CCC1 1722423920 ULQWZAATKPIHKM-UHFFFAOYSA-N 400.479 1.963 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1CC1(N2CCOCC2)CC(OCC)C1 1722630966 ZCRWXNCZCCJXGV-UHFFFAOYSA-N 420.558 1.308 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCN(CCOc2ccccc2Cl)CC1 1722688841 MRXVSLXHGRYQDB-UHFFFAOYSA-N 418.929 1.743 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCC(=O)N(C)C)C1 1722710782 OJGVVSRVSFGDSG-OXJNMPFZSA-N 407.515 1.190 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(O)c2)C1 1722711642 WCKXAZRCUVMRGY-RHSMWYFYSA-N 421.523 1.424 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CCOc3ccccc3)n2Cc2nnn(C)n2)C1 1722720144 HGOSSMOGJWLXNK-QGZVFWFLSA-N 410.482 1.253 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N(C)c1ccc(C)cc1 1722727193 MSAHHKRWSMBQPL-MRXNPFEDSA-N 403.508 1.906 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@H](C)OC(C)(C)C1 1722728161 UWEHLVYPKLGQGI-HOTGVXAUSA-N 412.556 1.777 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1722737444 GVDFTEINQHBFMQ-HNAYVOBHSA-N 404.540 1.982 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 1722738201 CPXOOCSWAWDPOD-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE CC[C@@](C)(O)Cn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@H](C#N)C1 1726802072 MMBXWRDMSTVIRE-CXAGYDPISA-N 423.315 1.936 30 10 HDEE CS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCc2c(ccnc2O)C1 1731007919 UEHYARNYSOZBPF-UHFFFAOYSA-N 424.486 1.525 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCOc1cccc(Cl)c1 1740609333 IWQIPMZTLGBLPE-AWEZNQCLSA-N 408.911 1.982 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](c1cccs1)N(C)C 1740629361 KVPGYMYVSFESFZ-KRWDZBQOSA-N 410.547 1.951 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCn1cnc2ccccc21 1740662099 ORCHZOKIHJGRMK-OAHLLOKOSA-N 415.523 1.398 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccccc2C)n1CC1(S(C)(=O)=O)CC1 1740682775 IYPYLZSZRNZEDR-UHFFFAOYSA-N 402.520 1.917 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2CC[S@](=O)CC)CC1 1740699626 NNIAHBGCASHPMB-GDLZYMKVSA-N 415.563 1.689 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCS(=O)CC1 1740710916 DPTZPQZPOCNXKG-UHFFFAOYSA-N 405.505 1.788 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccccc1 1740725772 UOVSLGZJIIUWHB-OXQOHEQNSA-N 417.535 1.959 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1C[C@@]1(C)CN(C2CC2)C1=O 1740764451 FLBBCDQINOWCPS-OAQYLSRUSA-N 400.527 1.927 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1740825306 LRXUTLUXPHTKFF-MSOLQXFVSA-N 421.567 1.595 30 10 HDEE C=CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](F)(C#N)C1 1740875606 GQFYEUVWVSHZTO-WMLDXEAASA-N 412.491 1.019 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OC(F)F)c1 1740899283 KEYUWQWDUMUMHL-CYBMUJFWSA-N 413.450 1.847 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1740945649 IIVHBFIKRITLLW-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C)[C@@H]1C 1740953700 OOSFSTWFGKIQGE-CABCVRRESA-N 417.535 1.886 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1740954466 NJMVQYKBTVMPMJ-RBUKOAKNSA-N 422.489 1.503 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CC[C@@H](CNC(=O)OC(C)(C)C)C1 1740959071 KAWVYPWDXALCHT-AWEZNQCLSA-N 404.515 1.809 30 10 HDEE CC(C)N(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1741930119 DJFUHIYJAJVCQI-MAUKXSAKSA-N 411.576 1.359 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC[C@H]1COCCO1 1747730279 HXAOPPBIPVHPEA-ZWKOTPCHSA-N 410.478 1.543 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1748802354 OHMXDRCVTSUJPJ-OAHLLOKOSA-N 409.556 1.071 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC1(C(N)=O)CCCC1)[C@H]1CCS(=O)(=O)C1 1748803948 BIRNBAFYSKJLFL-CVEARBPZSA-N 421.567 1.464 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1nc(C)cs1)[C@@H]1CCS(=O)(=O)C1 1748824386 OVQIRXOJTIIYKD-CQSZACIVSA-N 409.537 1.255 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1748847023 OKQFRVAQHLIXCM-MSOLQXFVSA-N 420.521 1.356 30 10 HDEE C=C(Br)Cn1c([C@@H](C)OCCOC)nnc1N1CCO[C@H](C#N)C1 1749085435 BKPUYCIBSQOZJV-CHWSQXEVSA-N 400.277 1.639 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1749120098 AEMLJOFMNHTVSI-MAUKXSAKSA-N 412.450 1.771 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CC[C@@H](SCC)C1 1749666943 RROSVOURWGBQDC-KFWWJZLASA-N 406.556 1.642 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@]1(N(C)C)CCSC1 1749831305 XUTRHJZWGPKLFE-YLJYHZDGSA-N 422.599 1.976 30 10 HDEE COCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1750104751 PQNFPKDNKZBNCV-OAQYLSRUSA-N 410.478 1.196 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(Cc3ccncc3)n2CCCCN2CCOCC2)C1 1750378878 OSKRPOUDGFZGDX-NRFANRHFSA-N 413.501 1.818 30 10 HDEE C#CCC1(C(=O)N2C[C@@H](C)[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CCOCC1 1757621637 OZKLWQJXUKJDHO-VMJIZDNZSA-N 400.519 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@H]1CCS(=O)(=O)C1 1760107316 NOGPHVNWWBGTCA-LSDHHAIUSA-N 416.503 1.609 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCCCC1=O 1760114801 TZWRCYUFMILANB-HNNXBMFYSA-N 412.494 1.866 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)Oc1ccc(F)cc1 1760163415 VEIBPMXWHITQRP-KGLIPLIRSA-N 409.487 1.564 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1csc(COC)n1)[C@H]1CCS(=O)(=O)C1 1760182585 KWKIZSFVJOSXFM-HNNXBMFYSA-N 423.564 1.679 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@]1(OC)CCOC1 1760196016 NEWRTZFYRLRARI-SFHVURJKSA-N 418.295 1.914 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCn2ccnc2C)CC1 1760256414 WVQUZUVGFWABJQ-UHFFFAOYSA-N 400.490 1.777 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccccc3)n2C[C@@]2(C)COCCO2)CC1 1760263036 LLBRLEBTMBOYEG-QHCPKHFHSA-N 409.534 1.624 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCCc2cnn(C)n2)CC1 1760263241 TWZUNCVHACXQNX-UHFFFAOYSA-N 410.551 1.447 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](C)(C(=O)NC)C1 1760335675 PKXDLTJUFSPOSR-WYSJICDVSA-N 416.526 1.173 30 10 HDEE C=C(C)Cn1c([C@H]2CCCCO2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760345911 ZBBUAJQMBJSBFO-SJLPKXTDSA-N 402.543 1.885 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCOC[C@H]2C)CC1 1760402559 NFDXQUQOCXRFCL-AEFFLSMTSA-N 423.583 1.303 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1760461106 KNDLVMRLSORKOM-UHFFFAOYSA-N 405.466 1.483 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1760522090 LRKJPNPQYNXWFP-BZUAXINKSA-N 409.556 1.497 30 10 HDEE C=CCNC(=O)Cn1c(N2CC=C(COC)CC2)nnc1[C@]1(OC(C)C)CCOC1 1760529090 WTMHDOVIHHWFON-NRFANRHFSA-N 419.526 1.404 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1763225422 URVCTBJMTVWXGM-HKUYNNGSSA-N 424.505 1.870 30 10 HDEE CCc1nc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H](C)C#N)cs1 1764651247 QOQDSIYXGXGQOW-VXGBXAGGSA-N 411.557 1.551 30 10 HDEE CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(C#N)o1 1766645291 LFEHECWJWVNJJZ-CYBMUJFWSA-N 422.511 1.189 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1769722680 QKZQTWQJQUPTIE-UHFFFAOYSA-N 423.521 1.254 30 10 HDEE C=CCN(C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)[nH]n1)[C@H]1CCN(C)C1=O 1849063751 REDHOZBKYJMQMA-INIZCTEOSA-N 414.462 1.961 30 10 HDEE COc1cc(Br)c(CC(=O)NCC#CCN2CCOCC2)cc1OC 1851109446 WOTIXJNSPIKCHN-UHFFFAOYSA-N 411.296 1.461 30 10 HDEE CCOc1cc(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)[nH]n1 1851215244 HYRVVWAMOWQESH-KRWDZBQOSA-N 400.435 1.617 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)C1 1853319738 FYWGNZWZSMOOSO-QUCCMNQESA-N 415.490 1.440 30 10 HDEE N#CCC(=O)N1CCC[C@H](N2CCC(S(=O)(=O)c3ccc(F)cc3)CC2)C1=O 1853725358 ATCLLAWVAYVQOW-KRWDZBQOSA-N 407.467 1.495 30 10 HDEE COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](OC(=O)Cc2ccc(C#N)cc2)CO1 1854393973 UWPHQOYZFLRDIA-QGZVFWFLSA-N 416.455 1.966 30 10 HDEE Cc1ccc(C)c(CC(=O)N2CCN(S(=O)(=O)CC#N)C3(CCCC3)C2=O)c1 1854432303 VEYCPSNTBGQKMS-UHFFFAOYSA-N 403.504 1.683 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2ccc(Cl)cc2Cl)CCN1S(=O)(=O)CC#N 1854723349 VPYMWEBLTPDQSW-LLVKDONJSA-N 418.302 1.839 30 10 HDEE N#Cc1cccnc1C1CCN([C@@H]2CCCN(C(=O)CCn3ccnc3)C2=O)CC1 1855171093 XSFVRUBQQGPVED-LJQANCHMSA-N 406.490 1.937 30 10 HDEE C=CCC[C@@H](C)C(=O)O[C@H]1CON(S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)C1 1855297783 SKSMHGRXGWNVLC-CHWSQXEVSA-N 410.448 1.582 30 10 HDEE N#CCc1ccc(Cl)c(C(=O)N2CCN(C[C@H]3CCS(=O)(=O)C3)CC2=O)c1 1855389336 ZQPDFOBINNMFKG-CQSZACIVSA-N 409.895 1.125 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2cc(C)nn2C(C)C)C1)[C@@H]1CCN(C)C1=O 1857043814 YFWKMQVJRVTIOC-QZTJIDSGSA-N 415.538 1.870 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CC[C@H]4CN(C)C[C@@H]43)ccc21 1857045898 IERGUQWSHWMBAW-KSSFIOAISA-N 403.504 1.393 30 10 HDEE C=CCNC(=O)[C@@H](CCSC)NC(=O)CCCN1C(=O)c2ccccc2C1=O 1861782871 DOWAVXLAXXDCSZ-MRXNPFEDSA-N 403.504 1.603 30 10 HDEE Cc1nnc(SCC(=O)NC2CCCC2)n(/N=C/c2cnc3ccccc3n2)c1=O 1873495573 VYDVKSXDCZQTFM-SSDVNMTOSA-N 423.502 1.923 30 10 HDEE C=CCn1c(C(=O)NCCCN2CCCC2=O)cc2c(N(CC)CCO)ncnc21 1873591501 NJZJAQYFSLHQDV-UHFFFAOYSA-N 414.510 1.178 30 10 HDEE C=CCn1c(C(=O)NCCOc2ccc(OC)cc2)cc2c(N3CC(O)C3)ncnc21 1873595556 IOIAGWPWDBSHQO-UHFFFAOYSA-N 423.473 1.616 30 10 HDEE COC(=O)CSc1nnc([C@@H]2CC(=O)N(C(C)C)C2)n1/N=C/c1ccccn1 1874336228 DJPOCZAUEMGWDR-PCQWDSEFSA-N 402.480 1.545 30 10 HDEE C=CCn1c(C(=O)N2CCC3(CC2)OCCO3)cc2c(NC[C@@H](C)O)ncnc21 1875230423 YSCVAMXNZCCYAQ-CQSZACIVSA-N 401.467 1.389 30 10 HDEE C=CCn1c(C(=O)N(CCO)CCO)cc2c(NCc3ccccc3F)ncnc21 1875231582 UECWLRAWSHHIKG-UHFFFAOYSA-N 413.453 1.795 30 10 HDEE Cc1ccc(C)c(OCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)c1 1889396806 IEVCGAAVHTUURF-UHFFFAOYSA-N 413.562 1.941 30 10 HDEE Cc1cc(C)n(-c2ccc(=O)n(CC3CN(S(=O)(=O)c4ccccc4C#N)C3)n2)n1 1890075671 UCWRFODAUWHFDE-UHFFFAOYSA-N 424.486 1.238 30 10 HDEE C[C@@H](C#N)c1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1 1890102741 LFTCWSBBERSCKK-KRWDZBQOSA-N 406.490 1.903 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](C(=O)O)C(F)(F)C1)C(F)(F)F 2180570199 OXWONKCJOCSEJI-SSDLBLMSSA-N 400.222 1.554 30 10 HDEE N#Cc1ccc(Cl)cc1S(=O)(=O)NC[C@@H]1CNCCN1Cc1ccccc1 2205555513 PKAHKXXPEZBNDA-SFHVURJKSA-N 404.923 1.964 30 10 HDEE C#CCN(CC1(CO)CCN(C(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 2238233340 ACODOMXGBQQVIQ-INIZCTEOSA-N 400.541 1.118 30 10 HDEE CC(C)(C)OC(=O)N1CC(NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2243426282 WNXJBFSLRQJLOQ-UHFFFAOYSA-N 404.276 1.125 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N(CCC(N)=O)Cc1ccccc1 2247836424 BVSBHKVPEDCAFW-UHFFFAOYSA-N 412.299 1.237 30 10 HDEE CC(C)(C)OC(=O)NCC1CN(C(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247856581 BCBWPFPWGGJNSD-UHFFFAOYSA-N 417.315 1.978 30 10 HDEE C#Cc1ccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)cc1 2258176795 GPOVKFFFZMNQQV-KRWDZBQOSA-N 402.428 1.789 30 10 HDEE C[C@@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)N1CC(F)(F)C[C@H]1C#N 2258198683 FRNRTODIVVZQFU-MEDUHNTESA-N 415.393 1.574 30 10 HDEE CN(C)C(=O)CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267707795 YBMZETIFDSWEHL-UHFFFAOYSA-N 408.738 1.067 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCOC(F)(F)F)s2)OC1(C)C 2267710815 BIDPHESXYBDEFK-UHFFFAOYSA-N 401.237 1.862 30 10 HDEE Cc1nn(C)c(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1CCCC2(C1)OCCO2 2282011302 HHJGUVADJMTGHS-AWEZNQCLSA-N 405.304 1.443 30 10 HDEE CCCN1CC(NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282311658 LCEGSGLXCHWLJV-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@@]2(C)CO)sc1B1OC(C)(C)C(C)(C)O1 2282316954 KDLVOFNRQZMOMZ-KRWDZBQOSA-N 401.359 1.891 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC[C@H]2CCO)sc1B1OC(C)(C)C(C)(C)O1 2282323826 HOVLLJMRPVRIDU-ZDUSSCGKSA-N 401.359 1.891 30 10 HDEE CN1CC[C@@](C)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343867 HYRGZESZBNRTGD-KRWDZBQOSA-N 400.375 1.667 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@]3(=O)CC[C@H](CN)C3)s2)OC1(C)C 2282352438 OOSIXNPRMLAWIH-SSINHNECSA-N 420.387 1.183 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1CO 2282494544 ZCAXQAYQWVHBGJ-OLZOCXBDSA-N 401.359 1.686 30 10 HDEE Cc1nsc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 2282578676 VEWFMNLACJEMGQ-XYPYZODXSA-N 400.331 1.056 30 10 HDEE CC(C)N(CCS(C)(=O)=O)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282588499 GOVOFEJEOMDVHR-UHFFFAOYSA-N 401.359 1.943 30 10 HDEE C[C@H](N)[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)CCO1 2282638007 HBOGDIGQQCYHJF-CMPLNLGQSA-N 400.737 1.889 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CC[C@@H]3CN)c(Cl)c2)OC1(C)C 2282827058 WKZLHGDITGLGKF-BXUZGUMPSA-N 400.737 1.655 30 10 HDEE CNC[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282827258 XRXKUKIOYOBYOT-NSHDSACASA-N 420.793 1.931 30 10 HDEE CC[C@]1(NS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)CCNC1 2282837969 ILGPTAPUQGWWMT-INIZCTEOSA-N 401.363 1.004 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@H]2CC[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282839520 FJYUKTHVUAOXSP-STQMWFEESA-N 401.359 1.713 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@@H]2C(F)(F)C23CC3)OC1(C)C 2282846965 RGYXMTJZSXUISG-NSHDSACASA-N 406.285 1.659 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1CCN 2282850603 QYVUKVUVJWKNBT-CHWSQXEVSA-N 400.375 1.653 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@H]1O 2282859674 PAERLQHCAARWLI-CYBMUJFWSA-N 401.359 1.829 30 10 HDEE C[C@H]1CCOCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282882833 RITCXMNMUAQMCE-ZDUSSCGKSA-N 401.359 1.988 30 10 HDEE C[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[C@@H]1CCNC1 2282890408 ZZZVTQPAXJJUGG-CHWSQXEVSA-N 400.375 1.465 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@H](C)[C@@H]1C(=O)O 2284394477 YRHAASSJFCPLSD-TVQRCGJNSA-N 401.315 1.449 30 10 HDEE CC(C)N1C[C@@H](c2nnc(SCC(N)=O)n2N=Cc2ccc(O)cc2)CC1=O 2329018187 UZQBXEIUTCMVMY-ZDUSSCGKSA-N 402.480 1.168 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(N(C)C)cc1 2330743817 YSMSWGXRILEGOL-UHFFFAOYSA-N 417.539 1.481 30 10 HDEE C[C@@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@H]1C(=O)O 2359400866 GKKHPJINTCLWOG-OUAUKWLOSA-N 401.315 1.435 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1S(=O)(=O)NCCSCCO 2360780515 MCYHJOXYKPDSNO-UHFFFAOYSA-N 401.359 1.298 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCO1 2365197921 CDJWLPGAFXPXPN-PMPSAXMXSA-N 402.557 1.863 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@@]1(CNC(=O)OC(C)(C)C)CCCOC1 2365203125 HUNYOJUENJGVHY-DNVCBOLYSA-N 402.557 1.723 30 10 HDEE CN(C(=O)OC(C)(C)C)C(C)(C)[C@H](C#CC(C)(C)S(C)(=O)=O)OCC(=O)O 2365241852 SYJDVNCWMLTIDI-ZDUSSCGKSA-N 405.513 1.928 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1CO[C@H](C)CN1C(=O)OC(C)(C)C 2367784108 AQRKJPQUQBVYQM-OAGGEKHMSA-N 400.541 1.570 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@]1(O)CC[C@@H](NC(=O)OC(C)(C)C)C1 2367829764 CLLYJNMRXYYGHH-CLCXKQKWSA-N 400.541 1.353 30 10 HDEE Cc1nn(C)cc1/C=N/Nc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n[nH]1 20424088 WMGPKFACRGBYQW-REZTVBANSA-N 415.439 1.932 30 10 HDEE COc1cc(/C=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)c([N+](=O)[O-])cc1OC 59460920 ZIXNGMIKTHOKBR-DJKKODMXSA-N 407.408 1.325 30 10 HDEE C=C(C)COc1ccc(NC(=O)CN2CCNC(=O)[C@H]2CC(=O)OCCC)cc1 66224993 COBFEENPLLKTDV-GOSISDBHSA-N 403.479 1.724 30 10 HDEE COc1ccc(S(=O)(=O)NCC#Cc2ccc(N3CCOC3=O)cc2)cc1OC 96352715 DDRYMNKNHRXKAX-UHFFFAOYSA-N 416.455 1.990 30 10 HDEE C#CCN(CC(=O)Nc1sc2c(c1C(=O)OC)CCCC2)[C@@H]1CCS(=O)(=O)C1 111046316 QANBRWDHJQNYGM-CYBMUJFWSA-N 424.544 1.474 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 111224056 MLGZJRFYKRVNEN-HXUWFJFHSA-N 418.563 1.780 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CNC(=O)c3cc4c(s3)CCCC4)CC2)nc1 116691729 SPCLCPHFTYLILU-UHFFFAOYSA-N 409.515 1.972 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1C#N 427791545 XOFYTPGULAOKON-UHFFFAOYSA-N 407.477 1.242 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CCOC[C@H]1C 460541260 CHUJLHCOVUIIAH-OAHLLOKOSA-N 405.524 1.997 30 10 HDEE COC[C@@](C)(NC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(F)(F)F 464506501 FHAPWEPAXQXPFZ-CXAGYDPISA-N 412.368 1.847 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(F)cc(Br)c2F)C1=O 468218158 IAQVECMKHLEEPR-UHFFFAOYSA-N 402.151 1.643 30 10 HDEE COc1cccc2c1nc(NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)n2C 474790122 YROBLKBKZDMEAV-GFCCVEGCSA-N 413.459 1.759 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)Cc2ccc(C#N)cc2F)CC1 480714020 ZXMXGSMRJGMMFG-UHFFFAOYSA-N 417.528 1.567 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCNC(=O)c1ccccc1 481278032 MEWQWTZSDDGWJS-OAHLLOKOSA-N 414.487 1.161 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 487341129 WOTKQZVJXBYIMM-UWVGGRQHSA-N 421.397 1.312 30 10 HDEE C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)N1CCNC(=O)C1 489629209 BNJQTFJHNNMHIC-UHFFFAOYSA-N 401.492 1.402 30 10 HDEE C=CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 508498903 WDEPERFCLSATJE-STQMWFEESA-N 423.461 1.576 30 10 HDEE C=CCc1ccc(OC[C@@H](O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)c(OC)c1 511073673 QFWPOYWIFZQKAD-ROUUACIJSA-N 412.552 1.519 30 10 HDEE CC1(C)CN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CCS1(=O)=O 538352673 HYVVAEMSFSXQMN-SFHVURJKSA-N 422.526 1.044 30 10 HDEE N#CC1(NC(=O)c2ccc(S(N)(=O)=O)cc2F)CCN(Cc2ccccc2)CC1 540898775 JBJGDUXNJUPJFZ-UHFFFAOYSA-N 416.478 1.761 30 10 HDEE Cn1cc(C#N)cc1C(=O)N1CCN([C@@H]2CCCN(Cc3ccccc3)C2=O)CC1 543124660 MOCWVDROKSHKER-HXUWFJFHSA-N 405.502 1.846 30 10 HDEE CCOc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C#N)n4)CC3)c2C)nn1 546903840 FTCTXXSVXZQPMS-UHFFFAOYSA-N 418.461 1.599 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCC(NS(=O)(=O)CCC)CC1 549255800 CAVPMSLCBHZQRU-MRXNPFEDSA-N 413.544 1.240 30 10 HDEE C=C(C)Cn1c([C@@H]2COCCO2)nnc1N(C)CCN1C(=O)c2ccccc2C1=O 555221565 SOFJEBGDAGUTPG-KRWDZBQOSA-N 411.462 1.675 30 10 HDEE C=C(C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@](C)(OC)C1 555266179 WVCHUXUGEVREFL-YJBOKZPZSA-N 413.544 1.192 30 10 HDEE N#CCC1(CNC(=O)C(=O)Nc2ccn(-c3ccc(Br)cc3)n2)CC1 556212492 BRPBTMUTVNMDDL-UHFFFAOYSA-N 402.252 2.383 30 10 HDEE CN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 557791920 SMIROGLRVMNZER-UHFFFAOYSA-N 400.298 1.810 30 10 HDEE Cc1ccc([C@@H](CN2CCOCC2)NC(=O)C(=O)NCc2ccc(C#N)cc2F)cc1 585693574 RVRMNMSHPSORLJ-OAQYLSRUSA-N 424.476 1.812 30 10 HDEE COc1ccc(S(=O)(=O)N(CC#N)c2ccc3c(c2)N(C)C(=O)CO3)cc1OC 586229086 KZXUAGYHEMSYDO-UHFFFAOYSA-N 417.443 1.778 30 10 HDEE COCCN1CCC[C@@H]1CNC(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 609557370 YPALKORXVDZYNC-MRXNPFEDSA-N 402.499 1.366 30 10 HDEE CCN1C(=O)[C@H]2CN([C@H](C)C(=O)N(CCC#N)c3cc(C)cc(C)c3)CCN2C1=O 610616029 CTBSDUXYQNQKRQ-IEBWSBKVSA-N 411.506 1.907 30 10 HDEE C=CCOCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 679530380 HIADKFQAZVDFMT-UHFFFAOYSA-N 409.508 1.509 30 10 HDEE C[C@@]1(c2cccc(C#N)c2)NC(=O)N(CN2CCNC(=O)C[C@@H]2c2ccccc2)C1=O 725771143 QKYHWTXBDSEZOF-XXBNENTESA-N 417.469 1.846 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)NCC(=O)N2CCC[C@H]2C(=O)NC)cc1OC 729250944 POTDMIVPRIPVQT-YHWKNFMLSA-N 401.463 1.126 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1)[C@H]1CCS(=O)(=O)C1 729331048 IYQJQOXJDIXBDQ-HOTGVXAUSA-N 408.907 1.337 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(CCSCC(=O)OC)C1=O 729818830 KHRNTQZFRRRICC-CQSZACIVSA-N 409.533 1.969 30 10 HDEE C[C@@H]1CC(C)(C)C[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(C3CC3)[C@H](C#N)C1)C2=O 732649538 YMCNOQFWMIXTIV-IUSZMWJPSA-N 401.511 1.322 30 10 HDEE N#Cc1ccccc1CS(=O)(=O)NC(=O)c1cc(N2CCOC2=O)ccc1F 744007919 XRIZVTJBXMKPJF-UHFFFAOYSA-N 403.391 1.914 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CCCN1C(=O)c2ccccc2C1=O 753974967 ZZCJYGYHXCZTQT-UHFFFAOYSA-N 411.439 1.748 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(NN=CCN2C(=O)c3ccccc3C2=O)nc1 755562566 GSQGLXOOALVIKC-UHFFFAOYSA-N 415.475 1.806 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc2C1=O 757597850 UHYWIPBGOWHCLZ-RHSMWYFYSA-N 424.457 1.957 30 10 HDEE COC(=O)Cc1ccc(S(=O)(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cc1 758641751 MJZNNWPAKDBMBV-GDBMZVCRSA-N 423.491 1.439 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1 758660568 HMHBFJWMAXJKGH-UHFFFAOYSA-N 420.513 1.530 30 10 HDEE Cn1c(S)nc2cc(C(=O)NS(=O)(=O)CC3(C#N)CCCCC3)ccc2c1=O 760401226 UTUUHNGVJRGVJS-UHFFFAOYSA-N 420.516 1.756 30 10 HDEE NC(=NOCC(=O)NC1CCN(C2CC2)CC1)c1ccc(N2CCC(O)CC2)cc1 762765827 AKEYSZHDROQKNO-UHFFFAOYSA-N 415.538 1.028 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(-n3ccc(=O)cc3)nc2)cc1 763231561 IFLGSRWIBIUPOK-UHFFFAOYSA-N 423.454 1.677 30 10 HDEE CCOc1cc(C=NNC2=NC(=O)C(=O)N2)ccc1OCC(=O)Nc1ccccc1 765595445 KIEZBUZMLSCGMN-UHFFFAOYSA-N 409.402 1.039 30 10 HDEE C#CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCS(=O)(=O)C1 774194450 FRJTVGPSYGKIJS-MOPGFXCFSA-N 423.510 1.031 30 10 HDEE CCN(C(=O)[C@@H](C)OC(=O)c1ccc(C2(C#N)CC2)cc1)[C@@H]1CCS(=O)(=O)C1 777174183 ONHXHUNKBJHOCD-RHSMWYFYSA-N 404.488 1.823 30 10 HDEE COc1ccc(CCNC(=O)[C@H](C#N)C(=O)c2ccc(NC(C)=O)cn2)cc1OC 782581440 KOOQYMMOPMOYKP-MRXNPFEDSA-N 410.430 1.739 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 783017800 XUMYQZGRSDPXNU-GOEBONIOSA-N 417.890 1.651 30 10 HDEE CC[S@@](=O)CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2CCCC#N 787884969 NJDGSKLHYQQGDL-MUUNZHRXSA-N 404.492 1.093 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)n1 788924633 HBCQIBNWHQAQHW-UHFFFAOYSA-N 424.549 1.879 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)C[C@H]1COCCN1C(=O)OC(C)(C)C 797030583 GSCCZWIMPRHDHG-HNNXBMFYSA-N 423.491 1.698 30 10 HDEE Cn1nccc1C1=CCN(C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)CC1 804199234 RYUUBEJRPRNHIN-UHFFFAOYSA-N 413.503 1.555 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)N1CCCN(c2ccc(F)c(F)c2)CC1 806780051 IGQMMBWIUFOKBO-VHEBQXMUSA-N 419.432 1.713 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c1 813981307 YIEAFVDKLSXOQI-UHFFFAOYSA-N 420.450 1.855 30 10 HDEE CC(C)N1CC[C@@H](C(=O)N2CCN(c3cccc(C#N)n3)CC2)[C@@H](c2cnn(C)c2)C1 849578417 MCPUTMQEHNGCGJ-NHCUHLMSSA-N 421.549 1.849 30 10 HDEE Nn1c(NN=Cc2ccco2)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 1084129869 OPOBWCRGLQONEP-UHFFFAOYSA-N 402.396 1.670 30 10 HDEE CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(C(F)(F)F)nn1 1128482380 CHRUYUFSBUKCOX-UHFFFAOYSA-N 413.381 1.964 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 1129928509 PKTCFJKAUVGDJV-KXBFYZLASA-N 407.536 1.858 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(CN4CCNC4=O)cc3)CC2=O)cc1 1132344390 RMJQTCRHEZGVOM-IBGZPJMESA-N 417.469 1.753 30 10 HDEE C#CCN(C(=O)[C@@H](C)N1CCN(C(=O)OC(C)(C)C)CC1=O)C1CCN(C)CC1 1134266498 SAERTXIYMSQNEV-MRXNPFEDSA-N 406.527 1.010 30 10 HDEE C=CCN(C(=O)[C@H](C)[C@H](O)CN(C)C(=O)OC(C)(C)C)[C@H]1CCS(=O)(=O)C1 1136358217 JOZOOUAGIRPAHB-QLFBSQMISA-N 404.529 1.052 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2ccc3c(C#N)c[nH]c3c2)CC1 1142002261 CRPQRFYCEHMUFV-UHFFFAOYSA-N 411.462 1.849 30 10 HDEE CCN(CC(C)C)c1nc(CC(=O)NCCN/C(O)=C2/N=CC=CC2=O)cs1 1144429834 ZNTFZMNTCUWLTM-ZCXUNETKSA-N 405.524 1.811 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCc2nc(C3CCOCC3)n[nH]2)cc1 1151044724 SHYWEBJDLQMWJS-UHFFFAOYSA-N 405.480 1.093 30 10 HDEE COc1cc(C#N)ccc1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1177565093 DGDCCBPXLHRVKQ-FQEVSTJZSA-N 406.486 1.682 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(CN4CCNC4=O)CC3)n[nH]2)c1C 1179393823 KNRIFGMKGQPVDF-UHFFFAOYSA-N 411.510 1.953 30 10 HDEE C[C@@H]1CCN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)[C@@H](C(N)=O)C1 1211600403 GTBUBTQKZWDOPS-PRHODGIISA-N 404.261 1.734 30 10 HDEE C#CC1(O)CCN(C(=O)Nc2ccc(OCC)c(S(=O)(=O)N3CCCC3)c2)CC1 1214339986 HSXBHTQAFKFDOG-UHFFFAOYSA-N 421.519 1.862 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NC[C@]2(O)CCS(=O)(=O)C2)n1 1216134381 FWFOVPGHRZRTMY-MRXNPFEDSA-N 409.855 1.068 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)Nc1ccc(C(=O)NCCC(N)=O)cc1 1218833040 JYORJUSTIAHNQV-UHFFFAOYSA-N 414.462 1.987 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCNS(=O)(=O)c2ccc(Cl)s2)C1 1224585684 VUXPNSVWRVDGMH-GFCCVEGCSA-N 404.945 1.077 30 10 HDEE COC(=O)c1oc(CNC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1C 1225939206 WWNRZHHYODGUTJ-JSGCOSHPSA-N 406.439 1.933 30 10 HDEE C#C[C@@H](NC(=O)NCC(C)(C)NS(C)(=O)=O)c1ccc(Br)cc1 1226784200 CVECYXPIUHEITQ-CYBMUJFWSA-N 402.314 1.750 30 10 HDEE Cc1noc(C[C@H](NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c2ccccc2)n1 1234081831 BUKLYRHDQQAJOC-BXWFABGCSA-N 415.475 1.242 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)NCc2ccc(C#N)s2)CC1 1252035472 QMRSJDIYRGIHAS-UHFFFAOYSA-N 419.532 1.560 30 10 HDEE C=C(C)CN(CC)C(=O)CN1CC[C@@]2(NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CCC[C@H]12 1284058327 QCVINODCRAXVKY-OZMWMKGNSA-N 401.551 1.948 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCn1cc([C@H]2CCOC2)cn1 1286304902 YOUPDULDBGVPQG-HKUYNNGSSA-N 422.537 1.998 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CCCn1cc(CO)nn1 1286358508 IRENSORMLLQMDN-UHFFFAOYSA-N 422.493 1.391 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OC)cc2)n1CC1(CS(C)(=O)=O)CC1 1286402163 BDGDVRKJSODFHV-UHFFFAOYSA-N 412.515 1.851 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2F)n1C[C@]1(O)CCO[C@H]1C 1286467154 RLCJXEZCKBWWGE-HRAATJIYSA-N 402.470 1.634 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCc2ccccc2F)CC1 1286483779 YPFWJBDVXJBWLB-UHFFFAOYSA-N 410.497 1.538 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@@H]2CC=CCO2)CC1 1286484120 IJYDDPSJWVQBHC-NRFANRHFSA-N 423.517 1.966 30 10 HDEE C#CCSCCn1c(-c2ccc(CC)cc2)nnc1N1CCO[C@H](C(=O)NC)C1 1286501543 XWJMSWQMXPGOJC-SFHVURJKSA-N 413.547 1.825 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286503755 KEQNASNJYVDHLM-FUHWJXTLSA-N 400.552 1.797 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1286607581 IKGCEOLPKVLUQC-KZNAEPCWSA-N 424.567 1.921 30 10 HDEE C=CCn1c(N2CCCN(Cc3noc(C)n3)CC2)nnc1[C@@]1(OCC)CCOC1 1286777532 FAOSOGZCEXNNMA-HXUWFJFHSA-N 417.514 1.520 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N(C)C1CCN(CCC)CC1 1286778378 BLAFZDZSSISGHR-UHFFFAOYSA-N 417.558 1.127 30 10 HDEE C=CCNC(=O)Cn1c(C(C)C)nnc1N1CCN(Cc2ccc(C#N)cc2)CC1 1286781469 RJOQWEFXSBVHKZ-UHFFFAOYSA-N 407.522 1.898 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CC=CCC2)CCOC1 1288322342 PLIUAQNQDFQIHM-GHTZIAJQSA-N 416.526 1.309 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)C1 1288976853 GBPDDQSGSPYQCT-PXNSSMCTSA-N 418.567 1.572 30 10 HDEE Cc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCOC(C)(C)C2)n1 1289987551 AHXKASXXDRWJBR-KRWDZBQOSA-N 411.510 1.488 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(C(=O)OC)CC1 1295064372 FFUXHHZQYAKQOQ-UHFFFAOYSA-N 411.466 1.183 30 10 HDEE CCOCCN(C)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1/N=CC=CC1=O 1297534508 SOYZRLHMPKPMGU-ZMMDAZFZSA-N 404.471 1.129 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1300309302 GPFFZBFNCPYUAQ-GJZGRUSLSA-N 415.585 1.212 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CCCNS(=O)(=O)c1ccc(F)cc1 1300392696 HJWRXQGZEVLTNE-IBGZPJMESA-N 419.478 1.948 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1300488833 WUYMDMZGTHKENH-QGZVFWFLSA-N 417.535 1.518 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CCNC(=O)c1cc[nH]n1 1300571506 FGENCZFMPJKSMF-UHFFFAOYSA-N 412.457 1.433 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOC2=O)cc1 1300621889 QPHMUVLZNVVBQS-KRWDZBQOSA-N 408.462 1.694 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCC1(O)CCOCC1 1300900700 RLSWJZNAMOJXNA-HNNXBMFYSA-N 415.560 1.222 30 10 HDEE C=CCN(c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1CCS(=O)(=O)C1)C1CC1 1301313185 YLTPPXLEWLTBGN-AWEZNQCLSA-N 416.507 1.515 30 10 HDEE C=CCNC(=O)Cn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(C)CC1 1301499739 FBSGNEJAPDNJDX-UHFFFAOYSA-N 424.553 1.991 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)C[C@H](C)C#N)n2C[C@]2(O)CCO[C@@H]2C)CCOC1 1301953530 SHFBXNLFZDVLTQ-SMOSDQRPSA-N 407.515 1.454 30 10 HDEE N#C[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H]2CC[C@H](CO)O2)CCO1 1303009164 GGHOAWTWFHUXDO-IPMKNSEASA-N 413.478 1.168 30 10 HDEE CC1CCN(c2nnc([C@@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1305094125 PIRPWLYQSDZQPE-IGGDJGDASA-N 414.510 1.935 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cccc(CO)c1 1306195570 DOCKKJHLZFSUEH-UHFFFAOYSA-N 403.490 1.974 30 10 HDEE CN(c1nnc(-c2cccc(C#N)c2)n1CCC(=O)N1CCOCC1)[C@@H]1CCOC1 1314681887 IODMNGFYDYFQKP-GOSISDBHSA-N 410.478 1.291 30 10 HDEE Cc1ccc(C(=O)N2CCC(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)cc1 1318847592 ABKQNDQBJFEYCN-QZQOTICOSA-N 410.474 1.632 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)Cc1ccc(Br)cc1F 1326046990 NXVFTIHQCJLOMM-CYBMUJFWSA-N 424.313 1.540 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)COCc1ccnn1C 1347119367 HDLYECTYPDNXJY-VTRWRZSMSA-N 402.495 1.166 30 10 HDEE CCN(CCCNC(=O)COc1cccc(Br)c1C#N)S(C)(=O)=O 1355576910 RVCVDNVOKVTIJU-UHFFFAOYSA-N 418.313 1.487 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@]1(C)CN(C)C1=O 1358886426 DHYDANLJKFJETL-YEJXKQKISA-N 405.462 1.530 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccccc1COC 1358889327 AGFOLCWLNVLULO-YJBOKZPZSA-N 402.520 1.833 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)C)n2Cc2ccc(S(C)(=O)=O)cc2)CC1 1359035886 HMAVSGOCYZJTNE-UHFFFAOYSA-N 415.563 1.684 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CC(=O)N(C)Cc2ccccc2)CC1 1359035917 IFHDTTAIYVXTOY-HXUWFJFHSA-N 422.533 1.196 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)c2ccc(C)cc2)CC1 1359036289 SJRUKGRLJMVJIQ-FQEVSTJZSA-N 422.533 1.276 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@]2(O)CCC[C@H]2C)CC1 1359043967 PFGTUHXLSPRCGQ-ZHRRBRCNSA-N 410.522 1.790 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)CC[C@H]1C 1359150843 HVWBOOJYRQHZIM-CFVMTHIKSA-N 417.963 1.988 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(COC)CCOCC2)CC1 1359164852 BMQOLFFHALOQOR-KRWDZBQOSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@H]1COCCO1 1359232821 GJLVQGMIFYEXJO-OAHLLOKOSA-N 420.539 1.584 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N(C[C@@H]1CCOC1)C1CC1 1359331334 VTRKNCCNELBOGG-HNNXBMFYSA-N 420.539 1.285 30 10 HDEE C=CCSCCn1c(N2CCC[C@@H](C(=O)NC)C2)nnc1[C@]1(OCC)CCOC1 1359346267 GZTUCWYCGQEUCC-UZLBHIALSA-N 423.583 1.812 30 10 HDEE CC(C)C(=O)NCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@](F)(C#N)C1 1359633208 AMURXEOVPUBOPK-LJQANCHMSA-N 405.478 1.005 30 10 HDEE CC(C)[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nnn(C)n2)C1 1359745121 ANNSKKBIRQFVSQ-INIZCTEOSA-N 407.482 1.783 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NC3CCN(C(=O)C4CC4)CC3)C2=O)cc1 1440892856 JCDBINHLXVKTDK-GOSISDBHSA-N 423.473 1.280 30 10 HDEE CS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@]3(C#N)C[C@H]4CC[C@H]3C4)CC2)c1 1444267275 VJRHRFKHDVFNNH-WJPUGNRLSA-N 415.515 1.704 30 10 HDEE COc1cccc(OC)c1CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1 1453029063 FPDCMRCLASPNHP-CYBMUJFWSA-N 403.460 1.559 30 10 HDEE N#CC[C@H]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(Cl)cc2)C1 1453302501 FVIJUJJNOCEHJR-UNEWFSDZSA-N 411.911 1.616 30 10 HDEE C#CCN(C(=O)c1cc(C)c(C(N)=O)cn1)C1CCN(C(=O)OC(C)(C)C)CC1 1455809043 CLTVBWYSXBDEDQ-UHFFFAOYSA-N 400.479 1.964 30 10 HDEE C#C[C@@H](NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)[C@H]1CCCO1 1459982265 FVJIHGOEXZOWNW-RTBURBONSA-N 405.520 1.570 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@H]3CCN(Cc4ccncc4C#N)C3)[C@@H]2C1 1460674517 GUNUILQEIUNYOG-KSZLIROESA-N 413.478 1.968 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCCN(c3nc(C)ns3)CC2)c1 1465551362 ZFSIYHFSSUCYCE-UHFFFAOYSA-N 418.544 1.996 30 10 HDEE Cc1csc(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c1C#N 1466472127 DWUWRSMYRXEKHC-UHFFFAOYSA-N 408.509 1.637 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(Nc3ccccc3)cn2)CC1 1467058981 KZQMQMHQWGWQKM-UHFFFAOYSA-N 414.491 1.442 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCc1ccc2c(=O)cc[nH]c2c1 1467594579 NZNQENQEVFTDMN-CYBMUJFWSA-N 410.455 1.383 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@H]2[C@H]3Cc4c(Br)cccc4[C@@H]32)CC1 1467813599 BLOAYAJCJIHXAK-ZYSHUDEJSA-N 416.319 1.228 30 10 HDEE C=CCOCCCNC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1470822876 ZFCXUJJBMHPZTG-HNNXBMFYSA-N 419.544 1.303 30 10 HDEE N#Cc1ccnc(N2CCN(C(=O)NCc3ccnc(-c4ccccn4)n3)CC2)c1 1471196134 WUGBLSJYJVUZCN-UHFFFAOYSA-N 400.446 1.837 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@]2(CC(C(=O)N3CCN(CCC#N)CC3)=NO2)C1 1471237227 LKTQZYSJMYIZJI-FQEVSTJZSA-N 405.499 1.590 30 10 HDEE C=C(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OC 1472852787 WLAWECJRWOQVOQ-OAHLLOKOSA-N 413.452 1.535 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)N2CCC(C(=O)OCC)([S@](C)=O)CC2)cc1 1476013369 RBGWWDNPSAAALM-LJAQVGFWSA-N 421.519 1.911 30 10 HDEE CC[S@@](=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](OCCOC)C1 1503288685 AONAIEAMWJOCSR-RBSBEOHCSA-N 417.535 1.827 30 10 HDEE COC[C@@H](F)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1504610060 AQMKBOJAZPSCRS-HNNXBMFYSA-N 402.430 1.040 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1cccc(OCCN(C)C)c1 1507514410 NIMLGROUEBERCY-SFHVURJKSA-N 424.549 1.961 30 10 HDEE C#CCCCCn1c(N2CC[C@H](S(C)(=O)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507573847 JTDYPZNYQSJJEB-QFBILLFUSA-N 410.540 1.357 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCN(CC)C(C)C 1507611188 KONLQXGDUDVSKU-UHFFFAOYSA-N 407.522 1.992 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CC1(C)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1507630643 DWYWACLMWPEZSN-MRXNPFEDSA-N 417.535 1.717 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@H](C1CC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1507631541 QNACTFKOGASXBG-FUHWJXTLSA-N 416.551 1.240 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1nccs1 1507669623 OLOHBXXAONVCLN-OAHLLOKOSA-N 403.533 1.342 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccccc2OC)n1CC(=O)N1CCOCC1 1507670473 MVBOEVDGZCHCMO-UHFFFAOYSA-N 421.501 1.199 30 10 HDEE C=C1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCCN2CCC(O)CC2)CC1 1507879920 IFEUVAWSUSMEFG-JOCHJYFZSA-N 419.570 1.933 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(NC(=O)C2CC2)CC1 1507954182 LBWMOCOYNXVVMI-INIZCTEOSA-N 421.567 1.641 30 10 HDEE C=CCN(CC=C)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508020491 OCTOKDXFWHDEAS-SFHVURJKSA-N 416.551 1.724 30 10 HDEE C=CCn1c(COc2ccccc2OC)nnc1N1CCC(OCC(N)=O)CC1 1508070762 GOAFDBCMJCVPHN-UHFFFAOYSA-N 401.467 1.522 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCN(CCOC)CC1 1508084710 ALGHSZSDSTWQFH-UHFFFAOYSA-N 412.538 1.248 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@H](C(F)(F)F)C1 1508087660 DBDZEWFNKPTRGY-OLZOCXBDSA-N 403.405 1.242 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 1508136972 XMYDYLDTHOKLGC-HNNXBMFYSA-N 422.507 1.258 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCS[C@H](CC)C1 1508140631 JCXYPHNGAPUKTL-ZIAGYGMSSA-N 413.569 1.162 30 10 HDEE Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1C[C@H]1CCCCS1(=O)=O 1511885654 CGWYVMCQLGXWST-QGZVFWFLSA-N 415.523 1.147 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@H](C1CC1)N(C)C 1512357364 BKZRDYXHUFDXJK-DNVCBOLYSA-N 407.522 1.824 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@@H]1CCOC1 1513401986 ZXTOJRNJBFGYQY-YJBOKZPZSA-N 415.542 1.410 30 10 HDEE CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1514568152 FFVYSIXIUCWVMY-MRXNPFEDSA-N 402.524 1.944 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(N)=O)C1 1518636605 CWJSOSKDNXTXDN-RCCFBDPRSA-N 410.478 1.180 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2Cc2ccnc(OC(F)F)c2)CCO1 1521129172 ITJAUGCHEGRFSJ-CABCVRRESA-N 420.420 1.946 30 10 HDEE Cc1c(C#N)nn(-c2cccnc2)c1NC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 1526784672 XHNHVERLULCIFY-ASSNKEHSSA-N 421.461 1.887 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2nc(Br)cc3ccccc23)C1=O 1528154773 GBVAGUYFMXYXAI-UHFFFAOYSA-N 417.219 1.913 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)Cc1csc(S[C@@H](C)C(N)=O)n1)C(=O)OCC 1531940024 HFASWXZJCGBXTG-GXSJLCMTSA-N 405.929 1.842 30 10 HDEE CC(=O)N1CCc2c(sc(NC(=O)[C@@]3(c4ccccc4)CNC(=O)C3)c2C#N)C1 1533853003 GVXAWVZUKNLNJN-OAQYLSRUSA-N 408.483 1.921 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H](C)CC)CC1 1539119768 MXWNAOIASQELES-ZWKOTPCHSA-N 402.543 1.232 30 10 HDEE C#CCCCn1c(N(C)CC(=O)N2CCOCC2)nnc1[C@@]1(OC(C)C)CCOC1 1539139797 IDTGJSXVNPZIPC-OAQYLSRUSA-N 419.526 1.027 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1cccc(CO)c1 1539167359 BUIRHIZLZWGRST-UHFFFAOYSA-N 424.530 1.848 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1CC(F)(F)F)[C@H]1CCS(=O)(=O)C1 1539226239 WDFHHDMIKPNKIG-AWEZNQCLSA-N 413.425 1.453 30 10 HDEE C=CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1539998335 GDAZGDPNEUHJLT-HOTGVXAUSA-N 422.555 1.200 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1540004513 AHNXAHKFXHPATD-QGZVFWFLSA-N 419.555 1.655 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCS(=O)CC1 1540019670 LJEFAZMBKHDZQX-UHFFFAOYSA-N 404.496 1.087 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1540021006 ZACIWESSNGGLNJ-MSOLQXFVSA-N 402.543 1.780 30 10 HDEE Cc1cccc2ncc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n12 1540647799 JMRLUYIFYDDVBS-UHFFFAOYSA-N 409.471 1.661 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCCOC2)C1 1540901055 RHEPLZNMTYJWFX-FQEVSTJZSA-N 417.535 1.948 30 10 HDEE Cc1c(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[C@@](C)(C#N)C2)cnn1C 1542110338 GRWGKDXUHWYLCU-KXBFYZLASA-N 417.539 1.401 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC(=O)N(C)C1CCCCC1 1543310815 HLCQAWUIGPPQTK-UHFFFAOYSA-N 422.537 1.971 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)C[C@@H](C)C#N 1547312225 CUMUWQPATATOBQ-AWEZNQCLSA-N 418.523 1.423 30 10 HDEE COCCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)C[C@H]1C 1555585234 AGSIBJVMKUGNBY-MRXNPFEDSA-N 409.494 1.953 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(O)CCOCC2)CCO1 1555994738 YWHWHKDTOJGOOO-CQSZACIVSA-N 404.858 1.264 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@H](CO)Cc3cccc(F)c32)cc1 1557309513 ZAYCMQPUYACOCI-CQSZACIVSA-N 402.447 1.549 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H](CO)[C@@H](O)c3cccnc3)CC2=O)cc1Cl 1557914028 HQGPPXLEEVLHKT-LJHODMEESA-N 414.849 1.170 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3cccc(C)c3)CCCCC2)CC1 1558073068 LFVQJJALENDEPE-UHFFFAOYSA-N 403.548 1.809 30 10 HDEE C#CC1(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)CCCC1 1558106399 YUZKCMLSVNVLGT-UHFFFAOYSA-N 405.520 1.509 30 10 HDEE N#C[C@@H](CCc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1558671099 GPKHLZVUXHOTJB-NZEHOUKNSA-N 403.504 1.086 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@@H](C(F)(F)F)O[C@H](C)C3)CC2)o1 1560117979 LGTFGTAUDOTHHV-DOMZBBRYSA-N 415.416 1.545 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)N[C@@H]2CCCN(O)C2=O)C[C@@H]1[C@@H]1CCCO1 1569675785 JKXWQSBOTLIAPX-JJXSEGSLSA-N 411.499 1.678 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(CNC(=O)COc3cccc(C#N)c3)nn2)C1 1584046520 KHYXHVJWNIHSOA-UHFFFAOYSA-N 412.450 1.637 30 10 HDEE CN(C(=O)CNS(=O)(=O)c1ccc(Br)s1)[C@H]1CCC[C@@H]1C#N 1587115857 VVWPNAXFPWVEIT-ZJUUUORDSA-N 406.327 1.940 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CC1(C(N)=O)CCOCC1 1587646179 UGNFKRVPWYKEDK-CQSZACIVSA-N 417.460 1.887 30 10 HDEE C#CCOc1ccc(CNC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)cc1 1587712983 ARHMHMCDZSPJLO-UHFFFAOYSA-N 405.458 1.706 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC[C@H](CN(C)S(C)(=O)=O)C1 1587856676 PFOOHDWIVMFGDN-SJORKVTESA-N 409.556 1.303 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1C[C@H]1NC(=O)CC1(C)C 1588167025 VEUDCAQBKKNFPF-GOSISDBHSA-N 409.465 1.984 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1588659866 PBGINWFQUZCJJK-UGKGYDQZSA-N 411.506 1.688 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CC)CC1 1588733762 ZQRGKWCZEQMNGX-SFHVURJKSA-N 422.537 1.165 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCc2cccc(C)n2)CC1 1588733769 ZTJUEBMNZFIRIM-UHFFFAOYSA-N 409.538 1.508 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1589069139 IWHDSXCOLBSDGJ-CABCVRRESA-N 400.570 1.408 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@]1(OC)CCOC1 1589259310 LAQCMYBCRYIZMX-PZBISTMVSA-N 404.511 1.800 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCOC2)C1 1589484127 RHTHVQPAORDIOM-LLGFUMIMSA-N 419.526 1.393 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCO[C@H](CC)C1 1595551287 NNRVBVZXHHRBFY-CRAIPNDOSA-N 413.478 1.708 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)C1 1595790504 NCIKYSABFXCGKT-WNRNVDISSA-N 405.564 1.497 30 10 HDEE C[C@H]1CN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CCN1S(C)(=O)=O 1597892154 DGUXQMHPCVSEGI-HNNXBMFYSA-N 413.540 1.129 30 10 HDEE CC(C)C(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1598054786 KEYHQTLHPXVLAM-QGZVFWFLSA-N 409.494 1.291 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N1CCCC[C@@H](C2CCOCC2)C1 1598094533 IEBMRYVQVNVCMP-MRXNPFEDSA-N 405.520 1.780 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1ccc(C(C)(C)O)cc1 1609506755 HTTJEVFTBALFEN-KRWDZBQOSA-N 412.494 1.421 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCOCC(F)F 1611686403 GFALKBLIEYYTOU-IAQYHMDHSA-N 424.449 1.002 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1cc(Br)c2nccnc2c1 1616345894 CVMWZXBKGHCWNV-BMRADRMJSA-N 416.235 1.649 30 10 HDEE CC(C)(C)c1cc(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)nc2ncnn12 1618732560 UNIPIWYFPFNVSP-INIZCTEOSA-N 417.473 1.824 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)C1 1620054460 JUEZKHMSMQPSOH-KRWDZBQOSA-N 408.466 1.235 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)Nc1ccccc1C#Cc1ccccc1 1621894664 NWTSDEXKICYRSK-UHFFFAOYSA-N 407.451 1.894 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1CNS(=O)(=O)c1cnn(C)c1I 1622080757 IFBILNXFPLUXCH-MWLCHTKSSA-N 411.265 1.284 30 10 HDEE N#Cc1ccc(OC2CCC(NC(=O)CCCCCCS(N)(=O)=O)CC2)nc1 1623330922 XSLUBENZVKWSBY-UHFFFAOYSA-N 408.524 1.998 30 10 HDEE C#CCN(CC(=O)Nc1cc(NS(C)(=O)=O)ccc1OC)C(=O)OC(C)(C)C 1624676402 SSBLWTKJXSEMIG-UHFFFAOYSA-N 411.480 1.876 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H](NC(C)=O)c1cccc(Br)c1)C(=O)OC 1626208331 LYGVNRSYDUNEOP-CABCVRRESA-N 413.268 1.487 30 10 HDEE C#C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1627414067 DJHRWVYABGJJAW-QRQLOZEOSA-N 418.902 1.955 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)N2CCCC2)CC1 1628307745 WFHHPDPWHAGVJL-GOSISDBHSA-N 420.554 1.450 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1 1632032230 SZKRIVISJBMOIG-UYAOXDASSA-N 421.563 1.983 30 10 HDEE COC(=O)[C@H](CC1OCCO1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1632791789 HZBHQDXENGMWCV-KGLIPLIRSA-N 413.471 1.384 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(OCC)cc2)CC1 1633175654 KXABYHHKSGDVKK-KRWDZBQOSA-N 410.536 1.929 30 10 HDEE Cn1cc(S(=O)(=O)N2CCC(NC(=O)C(=O)/C=C\c3ccc(F)cc3)CC2)cn1 1634221828 YEGSRIWCAHONCS-DAXSKMNVSA-N 420.466 1.111 30 10 HDEE Cc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1S(=O)(=O)NCC#N 1636069578 SQNDSQYIYTWSKK-LBPRGKRZSA-N 407.477 1.752 30 10 HDEE C#CCN(CC(=O)N1CCC(N2CCN(C(C)C)CC2)CC1)C(=O)OC(C)(C)C 1637835847 JQTKIYPZMHWIQR-UHFFFAOYSA-N 406.571 1.874 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1C[C@@H](c2cnn(C)c2)C(C)(C)C1 1641463417 HPJYFHSHEPNZIL-KSSFIOAISA-N 415.519 1.611 30 10 HDEE CC1CCC(NC(=O)CN2CCN(C[C@H](O)COc3ccccc3C#N)CC2)CC1 1642179985 GLISPOZFUGSOHE-MNLRITNHSA-N 414.550 1.610 30 10 HDEE COc1ccc(Cn2c(=O)c(C#N)cn(CCO)c2=O)cc1SC(F)(F)F 1644086879 AVTGOCKVZMQAHE-UHFFFAOYSA-N 401.366 1.543 30 10 HDEE CNC(=O)C1(NCC(=O)Nc2c(C#N)c(C)c(C)n2C2CCCC2)CCOCC1 1644529009 PTOTXPOVQDEJHJ-UHFFFAOYSA-N 401.511 1.915 30 10 HDEE COCC(=O)N1CCCc2ccc(NC(=O)CCN/C(O)=C3\N=CC=CC3=O)cc21 1647940973 VABTWQZYNMZSBC-QZQOTICOSA-N 412.446 1.467 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(F)(F)[C@H](C(=O)OCC)C2)cc1 1648086234 WBSLQWWVDGZXBT-HNNXBMFYSA-N 416.446 1.811 30 10 HDEE C[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1654885485 NPMORYRCCZXSLT-URYASSDKSA-N 401.488 1.869 30 10 HDEE C=CC[C@H]1CCCN(CC(=O)NN2C(=O)N[C@@](C)(c3ccc(OC)cc3)C2=O)C1 1655010445 XHKOHEZQUHLVQW-BTYIYWSLSA-N 400.479 1.782 30 10 HDEE C#Cc1ccc(S(=O)(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)cc1 1655618853 FRXHQHHFLILWRH-UHFFFAOYSA-N 412.464 1.154 30 10 HDEE CCCN(C(=O)[C@H](C)N1CCc2c(sc(N)c2C#N)C1)[C@@H]1CCS(=O)(=O)C1 1655797233 PJQGFYZFUWRKRR-QWHCGFSZSA-N 410.565 1.374 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 1661536282 SMJJHTSGJIVVSJ-UHFFFAOYSA-N 402.451 1.053 30 10 HDEE N#CCc1ccccc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1663918644 FLEMUJHBWFMQSX-ZIAGYGMSSA-N 401.410 1.784 30 10 HDEE CN(Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)C1CC1 1671967081 RJLSYUOVOYMWPQ-ZVDOUQERSA-N 416.547 1.477 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CCOC[C@H]2CC)cc1 1673399168 ZZLJMIHWVWVRPD-QGZVFWFLSA-N 410.540 1.725 30 10 HDEE C#C[C@@H](NC(=O)NCc1ccc(OCC(=O)NCC)c(OC)c1)C1CCOCC1 1676641294 BGJSQTIKCWWDKM-QGZVFWFLSA-N 403.479 1.438 30 10 HDEE C#C[C@H]1CCCCN1C(=O)NCCN=c1ncnc2n(C)[nH]c(Br)c1-2 1678394549 RKPORIDPYFWLEX-NSHDSACASA-N 406.288 1.109 30 10 HDEE C=C[C@H](COC)NC(=O)N1CCC(n2nnc(C(=O)OCC)c2C(F)F)CC1 1680390503 XYZQVYBRSGFJSW-LLVKDONJSA-N 401.414 1.940 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@@H]2C[C@H]2c2cccc(Br)c2)c(=O)nc1O 1681839860 GZLKXIFUASNFSG-UONOGXRCSA-N 418.251 1.438 30 10 HDEE CC1(C)CC[C@@H](CNC(=O)NCCn2cnc(C#N)n2)N(C(=O)OC(C)(C)C)C1 1682197399 UJDXAXZOILHTRZ-AWEZNQCLSA-N 405.503 1.875 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)C(F)(F)F)CC1 1682701995 SHPFOZCFQUEDEF-WCVJEAGWSA-N 419.444 1.978 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCC4(CCC4)O3)CC2)cc1 1684823218 DCRACHHSEUCSNL-QGZVFWFLSA-N 418.519 1.676 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2(S(C)(=O)=O)CCCCC2)n1 1687067800 CZASDBCTKGREEI-UHFFFAOYSA-N 410.540 1.422 30 10 HDEE C#CCCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CC[C@@H](C(N)=O)C1 1689887091 OXLZAMDUFAYFFX-CQSZACIVSA-N 405.462 1.709 30 10 HDEE C#CCCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1689892838 NZUICPWQUDUDGR-KTGAGVNESA-N 406.552 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@@H]1CCC2(C1)OCCO2 1690001673 PQHYUOBQACNRKV-QZTJIDSGSA-N 402.495 1.618 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCCCO2)n1Cc1nnn(C)n1 1690089801 MZPLEBRJPMOCNY-QGZVFWFLSA-N 410.457 1.870 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCCC2)CC1 1690124343 JLUVKGFFHFPUAD-QGZVFWFLSA-N 400.527 1.321 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(CC)C2)CC1 1690411986 ZLPWFLHWCJWLOG-QZTJIDSGSA-N 407.584 1.924 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ncc(CC)s1 1690669416 DXYUANDZGJHQNZ-ZDUSSCGKSA-N 403.512 1.187 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N(C)CC1CC(F)(F)C1 1690722283 DBBYAPRJJQWWKP-UHFFFAOYSA-N 412.466 1.817 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC(=O)NCc1ccco1 1692522517 SVCAEORIJDETSD-UHFFFAOYSA-N 413.482 1.456 30 10 HDEE COCCn1cc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@@H](C(N)=O)C2)cn1 1698069928 DFEYNCMXDASYRC-GOSISDBHSA-N 420.477 1.020 30 10 HDEE COCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2cc(C)no2)CC1=O 1698084815 ANMWJAORRNVHIB-UHFFFAOYSA-N 421.461 1.457 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1705479048 IPJVICWSNBCIBU-GCJKJVERSA-N 419.570 1.887 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1705534009 WPKRLOQEPSSKLY-INIZCTEOSA-N 412.498 1.046 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccccc1CN1CCC[C@H]1CO 1705553490 YRDZUVHFWOZJFQ-SFTDATJTSA-N 409.534 1.856 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCCC1(C)C 1705576594 NOAIKJBWHGWJBW-LJQANCHMSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCc1ccc(S(C)(=O)=O)cc1 1705579829 UVDRTKHLPCJLPP-UHFFFAOYSA-N 422.514 1.398 30 10 HDEE C=C(C)Cn1c(N2CCO[C@H](Cn3cccn3)C2)nnc1[C@]1(OCC)CCOC1 1705728529 NQEVQTKZQFTENI-PXNSSMCTSA-N 402.499 1.608 30 10 HDEE C=C(Cl)Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCc2nn(C)c(=O)cc2C1 1705762107 MMDWTXUACCLUAO-GUYCJALGSA-N 420.901 1.411 30 10 HDEE CC(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@@H](C#N)C1 1706060704 BHMNZTGENBDSDI-YJBOKZPZSA-N 412.450 1.046 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)(F)F 1712565300 CMCGXZQWHGTNQK-OLZOCXBDSA-N 407.393 1.657 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1CCN1CCOC[C@@H]1C 1712632456 CAHVWYLCXXAVJD-WDSOQIARSA-N 418.542 1.463 30 10 HDEE CSCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CC(=O)N1CCOCC1 1712818117 UXQQKAPFUSPMEV-UHFFFAOYSA-N 414.535 1.865 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cccc(C(N)=O)c1 1722324134 LIDSVTQJZIWSBN-AWEZNQCLSA-N 418.523 1.037 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C=C)CC1 1722333788 ZNJSKMVVSHTWBA-KRWDZBQOSA-N 407.540 1.427 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1CCC(=O)N1CCOCC1 1722379491 QZYPYWYXQLVVGB-UHFFFAOYSA-N 416.485 1.748 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@@]1(O)CCS(=O)(=O)C1 1722677708 DUYKSRCOHCMDGP-SFHVURJKSA-N 410.496 1.035 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@H]2CN(CC(C)C)CCO2)C1 1722717563 BYVCSILQPPKPGA-XUVXKRRUSA-N 419.570 1.920 30 10 HDEE C=CCSCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1722740639 YADOFKVAFCYFQQ-BEFAXECRSA-N 410.540 1.849 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1728186380 NCKLYTYGFVJBSC-DLBZAZTESA-N 424.461 1.847 30 10 HDEE CS(=O)(=O)NCCCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1731019352 YDZJVYRGASYKGN-MSOLQXFVSA-N 414.535 1.838 30 10 HDEE C=C(C)CN(CC)C(=O)[C@H](C)N1CC=C(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1734628029 OATRZKLIPVHRGH-MLYQTUFZSA-N 401.551 1.971 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(Cl)cc2)n1CC(=O)N1CCOCC1 1740555708 ARMMXZOMMWTTHW-HNNXBMFYSA-N 417.897 1.827 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C)CC1 1740590905 KQLWSSLCGREGRA-DLBZAZTESA-N 409.556 1.651 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@@H]1CC=CCO1)[C@@H]1CCS(=O)(=O)C1 1740620210 CGSDWQWRDLMULC-MSOLQXFVSA-N 413.503 1.312 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C)cc2)n1CCN1CCOC[C@@H]1C 1740644138 UXPGTHJTPJABDW-FQEVSTJZSA-N 407.518 1.959 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CC(F)(F)Br)CC1 1740706014 PPWQRDJXJDXXRK-UHFFFAOYSA-N 404.259 1.794 30 10 HDEE C=CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1740876647 WCRMSAFKDUDWSK-SFHVURJKSA-N 404.559 1.739 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1740940460 HDCKMLNFUONXGA-HXUWFJFHSA-N 419.482 1.450 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1740960979 IERCXNXJDPKADJ-QGZVFWFLSA-N 424.484 1.780 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CC2CCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1741640867 JDGVDOQATQKVQK-FBMGVBCBSA-N 415.498 1.179 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1CCOCCN(C)C 1742834988 ZTAIPZWBYDJHHE-UHFFFAOYSA-N 401.490 1.502 30 10 HDEE CCN(C)C(=O)Cn1c(C2CCC2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 1745888188 CAMMTXPZDDZSSL-HNNXBMFYSA-N 423.525 1.401 30 10 HDEE CCOC(C)(C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1746612022 HGHIZRSZAKMUHS-MRXNPFEDSA-N 412.494 1.855 30 10 HDEE Cn1cnnc1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)(C)C)CC1 1748043668 BXPHYTLGNISNHV-UHFFFAOYSA-N 405.510 1.914 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1748751452 XKZMKFAMOOFLRA-PMACEKPBSA-N 400.571 1.802 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1([S@@](C)=O)CC1 1748790254 HCSBQOVCIITZEK-GDLZYMKVSA-N 413.551 1.433 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ncccc2C)CC1 1749009178 GBJKHBFKFPKICC-LJQANCHMSA-N 422.533 1.890 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1749269889 YJMUOZRFWBPXTQ-AWEZNQCLSA-N 405.890 1.511 30 10 HDEE C=CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C 1749402287 LIQITCCNXCDXGU-JKSUJKDBSA-N 413.544 1.192 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)N2CCCC2)n1CC(=O)N(C)C 1749544480 IHROWBFIPMIVMU-UHFFFAOYSA-N 402.524 1.856 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(=O)NCC)CC1 1749756139 SXFUUUALKUUYMG-KRWDZBQOSA-N 422.599 1.349 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1 1760152829 AERISEOALGKONG-SFHVURJKSA-N 422.489 1.311 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1760207765 WCQVGGWXXNEDHS-QFIPXVFZSA-N 402.458 1.280 30 10 HDEE C#CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 1760280478 FVTKOSOXRVSPHY-FUHWJXTLSA-N 400.552 1.951 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC(C)(C)OC[C@@H]1C 1760281202 LTFJGENRKBSCOD-GJZGRUSLSA-N 412.581 1.550 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1760307261 OKVFTPVPMGHBNB-STQMWFEESA-N 421.303 1.571 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C2CCC2)nnc1N1CCN(S(C)(=O)=O)CC1 1760336436 ZIMIHFALHZIKTB-IRXDYDNUSA-N 409.556 1.608 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1 1760449069 ZIMQSGTXRSBHRR-OXJNMPFZSA-N 402.499 1.656 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1ccccc1F 1760464963 SSHXBMOFGXTMJO-QGZVFWFLSA-N 423.514 1.615 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 1760521405 RTMFTZVZBMTRHO-UHFFFAOYSA-N 414.485 1.932 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(C(=O)c2ccccc2O)CC1 1760526630 DOTCLTUEGOCNSF-UHFFFAOYSA-N 424.505 1.201 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1Cc1ccc(C#N)o1 1766353969 DXMQHWDSIRAYOK-AWEZNQCLSA-N 422.511 1.093 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CCOCCN(C)C 1770397537 QASWEIFSPMMJGF-HXUWFJFHSA-N 402.474 1.974 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1cccnc1OC 1771223956 YZJJQRKNUYLATD-GOEBONIOSA-N 402.455 1.183 30 10 HDEE N#C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2CCc2cccnc2)CCO1 1771538747 HKPHKPRQHANVLR-INIZCTEOSA-N 423.502 1.636 30 10 HDEE Cn1cc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)ON2C(=O)c3ccccc3C2=O)cn1 1772788028 UUZKNTIULQZAHF-OAHLLOKOSA-N 414.418 1.610 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)ccc1F 1850968793 KINQAVAMMMXEQU-SNVBAGLBSA-N 408.377 1.745 30 10 HDEE COc1cccc(CN2C[C@@H](C(=O)Nc3ccnc4c(C#N)c(C)nn34)CC2=O)c1 1851586597 MBROCLDUYXOUQL-HNNXBMFYSA-N 404.430 1.905 30 10 HDEE N#Cc1cnn(CC(F)(F)F)c1NC(=O)C1CN(C(=O)c2ccc3c(c2)OCO3)C1 1851948158 DLOKNFZQHLDXAO-UHFFFAOYSA-N 421.335 1.756 30 10 HDEE Cn1nc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)cc1C(F)(F)F 1852137721 DISXHVOAHIPQKM-UHFFFAOYSA-N 408.384 1.685 30 10 HDEE N#Cc1ccccc1OCC(=O)NC[C@H](c1ccc2c(c1)OCO2)N1CCOCC1 1853033768 GZEQKTNIIMVYGL-GOSISDBHSA-N 409.442 1.855 30 10 HDEE CCc1nc2c(n1CC(=O)OCCN1CCN(c3ccc(C#N)cn3)CC1)CCCC2 1853168333 RTKLLVLHFQOUDW-UHFFFAOYSA-N 422.533 1.956 30 10 HDEE C=CCN[C@H](C)[C@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 1853460212 ZASIEWVQIGFHDT-KDOFPFPSSA-N 424.567 1.705 30 10 HDEE C[C@@H](C(=O)N1CCC[C@H](N(C)CCC#N)C1=O)n1nc(-c2ccccc2)ccc1=O 1854270311 XESIUWXHZKYQDY-LPHOPBHVSA-N 407.474 1.834 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@@H]1CCCN(C(=O)CCC2CCCC2)C1=O 1854290803 LWCRSVFGBUIQHV-LJQANCHMSA-N 410.522 1.957 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)CCN1Cc1ccc(C#N)cc1F 1855046611 XKVLNEYCQAVJOJ-WMLDXEAASA-N 414.481 1.904 30 10 HDEE COc1ccccc1CC(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2C#N)C1 1855322537 UPPZQDSPWZROLW-MRXNPFEDSA-N 402.428 1.657 30 10 HDEE Cc1cc(C(=O)N2CC[C@H](N3CCC(Oc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 1855449974 BUOKKOBIPOQTRF-IBGZPJMESA-N 407.474 1.885 30 10 HDEE COCCOc1cncc(C(=O)N2CCCC[C@@H](N3CCC(C#N)CC3)C2=O)c1 1855599882 JMJRMROZFVQPQO-LJQANCHMSA-N 400.479 1.864 30 10 HDEE N#CCC(=O)N1CCN(S(=O)(=O)CCc2ccccc2)C2(CCCCC2)C1=O 1855632220 GWWFXMDIXCUEJJ-UHFFFAOYSA-N 403.504 1.846 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCC(F)(F)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855807075 NMSIWDYXRGGIIH-QWHCGFSZSA-N 411.430 1.742 30 10 HDEE N#Cc1ncccc1OC1CN(C[C@@H]2CC(=O)N(C(=O)c3conc3C3CC3)C2)C1 1856388962 HZLVMRRNWNUVFS-ZDUSSCGKSA-N 407.430 1.571 30 10 HDEE CCN1CCN(C(=O)[C@H](N=C2NS(=O)(=O)c3ccccc32)c2ccccc2)CC1 1869930399 ZMRVANDOXVXHRS-LJQANCHMSA-N 412.515 1.631 30 10 HDEE CCN1CCN(C(=O)NCC#CCOc2cccc(N(CC)CC)c2)C(=O)C1=O 1891148025 QEIMXJAQRSOZLO-UHFFFAOYSA-N 400.479 1.315 30 10 HDEE C=C(Br)CS(=O)(=O)N1CCN(Cc2ccccc2)[C@H](C(=N)NO)C1 1914890729 JHFSRXGZKLFOPO-AWEZNQCLSA-N 417.329 1.367 30 10 HDEE C#CCCN1CC[C@H](NS(=O)(=O)CCCCN2C(=O)c3ccccc3C2=O)C1 2083719321 CWGCWPFMBZMZNK-INIZCTEOSA-N 403.504 1.080 30 10 HDEE COC[C@@]1(CNS(=O)(=O)N2CC(C#N)C2)CCCCN1C(=O)OC(C)(C)C 2174790003 XOKMXLCAYBGGRU-KRWDZBQOSA-N 402.517 1.082 30 10 HDEE CCOC(=O)NS(=O)(=O)N[C@@H](C)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2177631138 LBZMIDBFZVSSLY-JTQLQIEISA-N 404.319 1.689 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](O)[C@@H](NS(=O)(=O)CC2(C#N)CCCCC2)C1 2183269019 IWEOFUYFMJQSPN-GJZGRUSLSA-N 401.529 1.750 30 10 HDEE COC[C@@H]1CC[C@H](n2ccnc2CCN2C(=O)c3ccccc3C2=O)C[C@]1(N)C#N 2183615894 IIKSQMQCQMELFB-WCJKSRRJSA-N 407.474 1.930 30 10 HDEE C[C@@H](NS(=O)(=O)N1CC(OCc2ccccc2)C1)c1cscc1C#CCN 2186635571 MYNRUHQPTYCPGH-OAHLLOKOSA-N 405.545 1.855 30 10 HDEE C[C@@](NC(=O)C(F)(F)F)(C(=O)NC[C@H]1C[C@](O)(C(F)(F)F)C1)C(F)(F)F 2188132835 SPLOPTXWTHRXQL-CGMLFGJQSA-N 404.229 1.806 30 10 HDEE Cc1nc(NS(=O)(=O)c2cccnc2C#N)ncc1I 2189858973 CKILNTZGMPZTLL-UHFFFAOYSA-N 401.189 1.457 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243405299 DDHYAXIWWCBEIK-GJZGRUSLSA-N 403.288 1.776 30 10 HDEE CC1(C)OB(c2c[nH]c(C(=O)N3CCC(NC(=O)C(F)(F)F)CC3)c2)OC1(C)C 2249484716 RTKTXWGDOICXCX-UHFFFAOYSA-N 415.221 1.597 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC3[C@@H]4COC[C@@H]34)cc2Cl)OC1(C)C 2267357308 UBBKULMRTPFBLD-RKDXNWHRSA-N 405.734 1.624 30 10 HDEE CC1(C)OB(c2cc(C(=O)NC[C@@H]3CCS3(=O)=O)sc2Cl)OC1(C)C 2267550080 UTZFGQPFEZSRJG-VIFPVBQESA-N 405.734 1.618 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CC(C)(C)[C@@H]1O 2282300513 HFOMQQMOFXTHLF-SMDDNHRTSA-N 401.359 1.793 30 10 HDEE CO[C@@H]1CC(=O)N(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2282317546 SOPBCTUUWQOTOT-SECBINFHSA-N 421.733 1.637 30 10 HDEE CCOC(=O)CCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282318140 YPQFMKSZUGJPCX-UHFFFAOYSA-N 403.331 1.587 30 10 HDEE C[C@H]1CC[C@@](O)(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282353842 YFEIPUZWPBYDNB-SJCJKPOMSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3CCCC[C@H]3O)c2)OC1(C)C 2282414894 YWNYKOBUGABTHD-GXTWGEPZSA-N 401.359 1.877 30 10 HDEE COC[C@@H]1C[C@@H]1NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282494705 BDUFWRINVGTTEK-NHYWBVRUSA-N 401.721 1.952 30 10 HDEE CC1(C)OB(c2cc(F)cc(F)c2S(=O)(=O)Nc2nnns2)OC1(C)C 2282495322 KWPMNZMUJCZMEH-UHFFFAOYSA-N 404.229 1.311 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H]3CO)c(Cl)c2)OC1(C)C 2282496902 JDCXMZRJBJFNED-NEPJUHHUSA-N 401.721 1.546 30 10 HDEE C[C@@H](C[S@@](C)=O)NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282498559 GITHUYLMKNLKLQ-ZJWNCGCPSA-N 401.359 1.172 30 10 HDEE CO[C@@]1(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CCOC1 2282506127 NRFVKPLVOHMSDP-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE C[C@H]1C[C@H]1N(CCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282509699 NVWZLGGDJXVRBF-GXTWGEPZSA-N 401.359 1.580 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@]3(F)C[C@H](N)C3)cc2Cl)OC1(C)C 2282843235 KHKCVMUOYQDLLQ-AZKDTHOKSA-N 424.756 1.808 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(F)CCOCC3)c2)OC1(C)C 2282854570 UAOLZSRZXDKPGE-UHFFFAOYSA-N 405.322 1.844 30 10 HDEE CC(C)(N)[C@H]1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282861276 MBPMKSFBAKUVIB-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CCNCCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282867340 XKEZELSIDDTXQW-UHFFFAOYSA-N 402.753 1.917 30 10 HDEE CC1(C(=O)O)CC(NS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2284402031 GHGZTFREOJZKIZ-UHFFFAOYSA-N 401.315 1.579 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3COC[C@@H]3C(=O)O)c2Cl)OC1(C)C 2284455347 JKAQFZMJVICTOX-WPRPVWTQSA-N 401.677 1.530 30 10 HDEE C=CC[C@H](N)[C@H]1CCN1S(=O)(=O)C[C@](C)(F)CN1C(=O)c2ccccc2C1=O 2314268078 UUXVIDHEYYLBCM-FRQCXROJSA-N 409.483 1.318 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NCCSCCO)OC1(C)C 2335628595 XLLQPXQBZJBIRI-UHFFFAOYSA-N 407.388 1.192 30 10 HDEE COC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(F)(F)F 2361731273 CIGOAQSPQPWAAI-JTQLQIEISA-N 415.264 1.903 30 10 HDEE CCc1csc(C#C[C@H](O)C[C@H]2CS(=O)(=O)CCN2C(=O)OC(C)(C)C)n1 2363984361 BJFFJLUBEBVZDE-GJZGRUSLSA-N 414.549 1.842 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@](O)(CNC(=O)OC(C)(C)C)C(C)C 2367816034 GTRGGRQCXGREOR-KXBFYZLASA-N 402.557 1.457 30 10 HDEE COC(=O)CCS(=O)(=O)NCc1sc(Cl)cc1B1OC(C)(C)C(C)(C)O1 2369956898 FBKQHWCZSPAXHH-UHFFFAOYSA-N 423.749 1.683 30 10 HDEE C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc3c(cc21)OCCO3 44361070 QNOLEQJDLYEKRZ-RUWSDDDDSA-N 423.516 1.511 30 10 HDEE C#CCN(CC(=O)Nc1cc(C)nn1-c1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 111047148 RBZQZSWRQQZDJI-SFHVURJKSA-N 400.504 1.550 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)c2ccn(-c3cccc(C#N)c3)n2)C1=O 409910178 LEAKKKYDPWUYSZ-GOSISDBHSA-N 403.446 1.398 30 10 HDEE CCOC(=O)c1sc2ccsc2c1CNS(=O)(=O)N1CCO[C@H](C#N)C1 410198254 ISFWIYVZIQJOPV-SNVBAGLBSA-N 415.518 1.698 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)[C@H]1CSCN1C(=O)C1CCCC1 465470968 IOOJQHNFMCTGMO-RHSMWYFYSA-N 414.535 1.477 30 10 HDEE CCS(=O)(=O)N1CCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)[C@H](C)C1 480076155 XCGCABNAWWLRJB-CYBMUJFWSA-N 403.468 1.027 30 10 HDEE C=CCN(CC(=O)NC[C@H]1CN(CC(C)C)CCO1)S(=O)(=O)c1cccs1 494464506 QYLCLAORZKEUIR-INIZCTEOSA-N 415.581 1.398 30 10 HDEE CC1(C#N)CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 505203680 KPFGGTRSGXHXRA-UHFFFAOYSA-N 404.492 1.012 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(F)(F)F)C1 508498902 WDEPERFCLSATJE-QWHCGFSZSA-N 423.461 1.576 30 10 HDEE C=CCn1c(CN2CCCc3ccccc32)nnc1N1CCO[C@H](CNC(C)=O)C1 508506822 RDQDLSNWWLUAPV-LJQANCHMSA-N 410.522 1.758 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCC(NC(=O)CC3CCCC3)CC2)CC1 512456212 KYYSYCXHYSVTPB-NRFANRHFSA-N 417.598 1.840 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCCN(C(=O)c2ccsc2)CC1 515254323 AOSFJTNUFHVWFE-INIZCTEOSA-N 403.508 1.966 30 10 HDEE CNC(=O)CCOC1CCN(C(=O)Nc2cc(C#N)ccc2OCCOC)CC1 543348638 AXYVGXNIHJYNTM-UHFFFAOYSA-N 404.467 1.732 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](C#N)c2ccc(F)cc2)cc1 552363198 GOAFNYFURGUWBG-GOSISDBHSA-N 418.450 1.834 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4cccc(C#N)n4)CC3)n2C[C@@H]2CCCO2)cn1 555400289 ZDMYWDPCACHJPY-SFHVURJKSA-N 419.493 1.451 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)N[C@@]3(CCc4ccccc4C3)C2=O)nc1 570195131 VTZUXUUZJJEFSA-HXUWFJFHSA-N 410.455 1.206 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(Br)c1C#N)C1(S(C)(=O)=O)CC1 581148422 CYOOBIMYJZUJHY-VIFPVBQESA-N 407.311 1.565 30 10 HDEE CCC(CC)[C@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 603806306 OWTHHPVLIWOUDD-FQEVSTJZSA-N 414.554 1.922 30 10 HDEE CCC(CC)[C@@H](CNC(=O)N1CCN(c2ncccc2C#N)CC1)N1CCOCC1 603806307 OWTHHPVLIWOUDD-HXUWFJFHSA-N 414.554 1.922 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C)c2cc(OC)c(OC)cc2F)CC1 604204043 HOBVXLILZGQIPX-CQSZACIVSA-N 408.474 1.533 30 10 HDEE N#CCCCOc1cccc(NC(=O)C(=O)N2CCCN(c3cccnn3)CC2)c1 610102637 GYASATMHFFMCLC-UHFFFAOYSA-N 408.462 1.837 30 10 HDEE C[C@H]1CN(C(=O)Cn2cc(NC(=O)[C@@H](C)Oc3ccccc3C#N)cn2)C[C@@H](C)O1 610206251 ZZMILGRQADSWGI-OWCLPIDISA-N 411.462 1.797 30 10 HDEE Cc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCC(C)(C#N)CC2)cc1C 611668432 JNJUUAVNIKRSDF-WMZOPIPTSA-N 405.520 1.580 30 10 HDEE C=CCn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 619741720 XJUUYSNKXRYHMB-UWJYYQICSA-N 419.533 1.992 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCc3nc(-c4ccccc4)ncc3C2)C1=O 623224397 SPVCWOOVULHWNO-INIZCTEOSA-N 419.441 1.094 30 10 HDEE CC1(C)OB(c2cccc(S(N)(=O)=O)c2I)OC1(C)C 694986275 ZHRHWFHPAGVXSG-UHFFFAOYSA-N 409.054 1.238 30 10 HDEE C#Cc1cccc(-n2c(=C(C#N)C(=O)NC3CC3)sc(=Cc3ccoc3)c2=O)c1 727417269 GOQNAPLHQUDPFP-UHFFFAOYSA-N 401.447 1.255 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCCSC)c2=O)cn1 732563105 RIHBEETYZHVXQC-UHFFFAOYSA-N 416.572 1.752 30 10 HDEE Cn1ccnc1Sc1ccc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732706783 PGYMHHSJVJICMD-INIZCTEOSA-N 410.503 1.709 30 10 HDEE Cn1cc(C#N)cc1C(=O)[C@H](C#N)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 751829727 FSBCJFXMJOOPHV-KRWDZBQOSA-N 406.402 1.476 30 10 HDEE C[C@H](OC(=O)c1cc(C#N)cs1)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 752586355 DDSPOJLIOXJTPB-MNOVXSKESA-N 407.473 1.690 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 755580312 AQPADFDNJWPMPO-LJQANCHMSA-N 417.462 1.717 30 10 HDEE N#CC1(CS(=O)(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCCC1 759063578 SCOYOPNWFUWMEW-UHFFFAOYSA-N 403.448 1.304 30 10 HDEE N#Cc1ccc(OCCNS(=O)(=O)c2cc(C(=O)O)oc2Br)cc1 761306841 AYQCEBVYYRHXRO-UHFFFAOYSA-N 415.221 1.969 30 10 HDEE CCCCNC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C 763437077 LAHUCOUYFFEZKI-UHFFFAOYSA-N 420.538 1.965 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1 766788602 ZSFQLQMIFXPPBR-LJQANCHMSA-N 400.456 1.517 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC([C@@H](O)c4nccn4C)CC3)cc2C1=O 772581046 MLSSQJGFYGQVRQ-GOSISDBHSA-N 408.458 1.788 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNS(=O)(=O)c1ccc(Br)cc1F 772663430 ICDBHMDZCXSMSR-BUHFOSPRSA-N 418.244 1.393 30 10 HDEE COC(=O)[C@H](NCCOc1ccc(NS(C)(=O)=O)cc1)c1ccc(C#N)cc1 773211791 WOKNUHCESCNJSE-GOSISDBHSA-N 403.460 1.812 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1)[C@@H]1CCS(=O)(=O)C1 774220234 KIUPBBLNKNYGEK-ZWKOTPCHSA-N 407.511 1.935 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)N1CCc2c(ncn2-c2ccccc2)C1 779350335 CFBHXVSGYCOBPP-VXPUYCOJSA-N 406.446 1.466 30 10 HDEE COc1ccc(O)cc1C(C)=NNc1ncccc1S(=O)(=O)N1CCN(C)CC1 779773290 VKAGCLKYECSQGA-UHFFFAOYSA-N 419.507 1.568 30 10 HDEE CNC(=O)C[C@@H]1S/C(=N\[C@H](C)c2cccs2)N(CCCn2ccnn2)C1=O 784125671 KYQFSCHNQGRBRS-HWHGUFAVSA-N 406.537 1.927 30 10 HDEE CCC(CC)C(=O)N1CCC(NC(=O)C(=O)NCc2ccc(OC)c(C#N)c2)CC1 788007937 MBHRBPNEQDOYBB-UHFFFAOYSA-N 414.506 1.726 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cnn(-c3ccccn3)c2C)n1 788694408 PHFBZAJMFOARNV-UHFFFAOYSA-N 414.491 1.243 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2cc(NC(C)=O)ccc2C)n1 788695099 DNJORTYFGSXUTB-UHFFFAOYSA-N 404.492 1.620 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC(C)(C)N2CCC(OC)CC2)n1 788992974 FYTHJGYWHYGMCB-UHFFFAOYSA-N 405.543 1.564 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)n1 790104426 AMOYQNSPIRMOIE-UHFFFAOYSA-N 408.418 1.899 30 10 HDEE CC1(C)C[C@]2(NC(=O)N(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)C2=O)C(C)(C)O1 793588792 DQQUYKQKKQVMRC-QVKFZJNVSA-N 413.478 1.632 30 10 HDEE Cc1ccncc1N1CCN(C(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CC1 799057557 QCFCYCHZRUMYFR-UHFFFAOYSA-N 413.503 1.167 30 10 HDEE COc1ccc(CNC(=O)C(=O)NC[C@H]2CCN(Cc3ccccc3)C2)cc1C#N 804278391 WRWCADKWYPOQDV-LJQANCHMSA-N 406.486 1.821 30 10 HDEE NS(=O)(=O)c1ccc(C=NNC(=S)NC[C@@H]2CCCO2)cc1Br 807949497 ZMBYDZNKRHKPOC-JTQLQIEISA-N 421.342 1.074 30 10 HDEE C[C@@]1(c2ccc(F)cc2)CC(=O)N(CN2CCN(c3cccc(C#N)n3)CC2)C1=O 811765156 XIODKADWVYRIGX-QFIPXVFZSA-N 407.449 1.889 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1)c1ccc(F)cc1 812935002 UENFPXIJVZLZFR-INIZCTEOSA-N 422.507 1.981 30 10 HDEE C=CCO[C@H]1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)C1 1116926051 KTCUCHJWEFVZOL-HNNXBMFYSA-N 402.538 1.683 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC(CNC(=O)[C@@H](C)CC#N)CC2)cc1OC 1126199144 AEXJUZSYTVUYNI-AWEZNQCLSA-N 409.508 1.770 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N(C)Cc1nnnn1-c1cc(OC)cc(OC)c1 1126774353 IZIRLYIXEYKWJQ-QGZVFWFLSA-N 402.455 1.109 30 10 HDEE N#Cc1ccc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)s1 1130050986 DWHKOTQFVWAUSA-UHFFFAOYSA-N 409.464 1.710 30 10 HDEE N#Cc1cc(NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)ccc1N1CCC(O)CC1 1137499171 TWTFDFWFRQRKQG-CTNGQTDRSA-N 414.506 1.338 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2nnc3ccccn23)s1 1141423086 JIOZUFDPBOUAPK-LBPRGKRZSA-N 405.505 1.675 30 10 HDEE C#CC[C@@H](NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(S)nc2c1)C(=O)OC 1141994839 AQHPGAOULOIGBG-OAHLLOKOSA-N 411.439 1.621 30 10 HDEE Cc1ccc(C(=O)NC[C@]2(OCCO)CCOC2)cc1B1OC(C)(C)C(C)(C)O1 1165988725 ZVZAJQDNKLQEOG-OAQYLSRUSA-N 405.300 1.192 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCO[C@H](CC(N)=O)C2)n(C2CCCCC2)c1C 1175078721 DLPZCAUQWLZDJE-QGZVFWFLSA-N 401.511 1.997 30 10 HDEE C[C@H](CCc1ccc(I)cc1)Nc1[nH]c(=O)n(C)c(=O)c1C#N 1186325489 KGUXQDKBAGTJQT-SNVBAGLBSA-N 424.242 1.983 30 10 HDEE CCOC(=O)C[C@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1193032623 FSFAEFGMULEXPW-IRXDYDNUSA-N 410.312 1.945 30 10 HDEE CC(C)(CO)[C@@H](CNC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1224522719 OJEWGAHZXIODQX-KRWDZBQOSA-N 411.462 1.189 30 10 HDEE Cn1cc([C@H](NC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c2ccc(F)cc2)cn1 1226692350 FMAIGRXMIMCHRJ-QGZVFWFLSA-N 423.408 1.049 30 10 HDEE N#CC1(CNC(=O)N2CCn3ncc(I)c3C2)CCOCC1 1256340864 MJKJDZZRDAAHOP-UHFFFAOYSA-N 415.235 1.333 30 10 HDEE CN(CCNS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccccc1 1256697738 SFTNASPTXMROMQ-UHFFFAOYSA-N 410.503 1.850 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1286376450 CUUHZDWDBJYFBZ-GOSISDBHSA-N 406.465 1.817 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1nccs1)[C@H]1CCS(=O)(=O)C1 1286390689 DXUVHONCBXLGDC-INIZCTEOSA-N 419.576 1.947 30 10 HDEE C#CCN(c1nnc(CN2CCCC2=O)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1286395884 OSVNXVVLAQNCGO-CVEARBPZSA-N 419.551 1.073 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cncn1 1286456062 MACRHMJDESYEJS-QGZVFWFLSA-N 408.441 1.300 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCCN(C(C)=O)C2)CC1 1286482208 NGCLPEHKDJBCRU-OAQYLSRUSA-N 421.549 1.278 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](n2cncn2)C1 1286494278 LHKIOMBFXGGBSW-OAHLLOKOSA-N 402.528 1.216 30 10 HDEE C=C(Cl)Cn1c(Cc2ccncc2)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1286632153 HDZYWEHYBKCPMJ-AWEZNQCLSA-N 410.931 1.487 30 10 HDEE CCNc1ccc(C#N)cc1NC(=O)c1ccc(S(=O)(=O)N[C@H](C)CO)cc1 1295028977 GYBVMGOSPGDLPT-CYBMUJFWSA-N 402.476 1.901 30 10 HDEE N#Cc1ccc(CN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)C2CC2)cc1 1295563201 BPGUMMADXHFRQM-FQEVSTJZSA-N 422.460 1.791 30 10 HDEE CN(C)[C@]1(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@](F)(C#N)C2)CCSC1 1298043054 DPKXYYRZTZFXPJ-BVGQSLNGSA-N 407.519 1.108 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1298927778 MYEBRWISYNRPAS-JKSUJKDBSA-N 424.461 1.703 30 10 HDEE CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)C1 1300000758 PLEIABQRVIYVLI-GOEBONIOSA-N 411.455 1.160 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N2CC(N3CC[C@@H](O)C3)C2)C1 1300301932 PWQMZTYESOROGS-MRXNPFEDSA-N 405.296 1.034 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@@H]1NC(=O)CC1(C)C)[C@H]1CCS(=O)(=O)C1 1300485205 UYJRONGVNXAHDP-GJZGRUSLSA-N 421.567 1.117 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1300545343 NPNQAMOGBZKWSQ-GOSISDBHSA-N 403.552 1.365 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2COc3ccccc3O2)n1CCOCCOC 1300577799 BUVJINARMFSVTL-HXUWFJFHSA-N 410.474 1.917 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@@H]1CCN(CC)C1 1300665137 XSPGMKAUXGPOPW-MRXNPFEDSA-N 414.510 1.434 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CCOCCC(C)C)CC1 1300707052 AYCCNMKJGOMQEM-UHFFFAOYSA-N 413.570 1.958 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1NC(=O)C[C@@]12CCCC[C@@H]2C 1300780132 GYKJKUJPUGCZAY-CKFHNAJUSA-N 404.492 1.437 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CC2CC2)nnc1N1CCN(CCOC)C(=O)C1 1300892444 SPMUGJSPRGYUPA-PXNSSMCTSA-N 403.527 1.507 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1300989845 RKGOJSNJUSQKGO-VQTJNVASSA-N 419.570 1.923 30 10 HDEE N#Cc1cn(CCNC(=O)c2ncoc2-c2cccc(C(F)(F)F)c2)c(=O)nc1O 1301212834 HJCZPTSVEXPPMF-UHFFFAOYSA-N 419.319 1.924 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 1301500546 NKCROTDNPSICSI-WCLQXYBISA-N 419.526 1.247 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)C)nnc1N1CCN(C2=NCC(C)(C)S2)CC1 1301502229 DGYSIAREMKGDCI-UHFFFAOYSA-N 419.599 1.782 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1301579476 SJFVFEAZUGMWQK-AEFFLSMTSA-N 416.551 1.614 30 10 HDEE C=CC[C@]1(C(=O)NC2CCN(S(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1301616368 GMWSYIWZHLMDGL-GOSISDBHSA-N 416.544 1.116 30 10 HDEE C=CCCONC(=O)[C@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1301635618 QFRWJEPLOXBNRA-IBGZPJMESA-N 400.472 1.958 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@]1(O)CCSC1 1302273238 VVXMZOZGLWBZPR-BXWFABGCSA-N 407.540 1.610 30 10 HDEE Cc1cc(C(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c(C)n1-c1ccc(C#N)cc1 1305591355 XLGRDKZGLDPNBE-UHFFFAOYSA-N 414.425 1.797 30 10 HDEE CC1(C)CCN(CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)CC[S@]1=O 1307769239 ARTGGGGTTOVEHW-ADXZGYQBSA-N 420.554 1.768 30 10 HDEE COC(=O)[C@@H]1CN(CCS(=O)(=O)c2ccc(C#N)cc2)c2ccc(F)cc2O1 1307889218 JTIYXQABPSWGDD-SFHVURJKSA-N 404.419 1.912 30 10 HDEE C#CCN1CCC(NS(=O)(=O)c2cc(C(=O)OCC)c(C)c([N+](=O)[O-])c2)CC1 1309870745 WJHLVTWMVBINND-UHFFFAOYSA-N 409.464 1.456 30 10 HDEE C#CCN(C(=O)N[C@@H](C)CS(=O)(=O)CC)C1CCN(C(=O)OC(C)(C)C)CC1 1311962859 GOHYQSMFVSLVCG-HNNXBMFYSA-N 415.556 1.854 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1314305257 XANLOKNEWVPZEJ-MISMHTLLSA-N 412.494 1.218 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1316208247 BKESWDMVARVEGL-TXUMCGTDSA-N 411.528 1.032 30 10 HDEE C[C@](O)(C1CCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)CC1)C(F)(F)F 1320568146 DFOOQTBZHYSVLT-VUSFMPOISA-N 404.389 1.248 30 10 HDEE N#Cc1c(N2CCOCC2)n[nH]c1NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 1351735139 FWDGYXLKQGWQKP-OAHLLOKOSA-N 409.450 1.004 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2cn(C)c(O)n2)c1 1354588021 WCQJRUZVARGAST-PGMHBOJBSA-N 405.480 1.971 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCC(N2CCNC2=O)CC1 1358921474 YNJOJADDTPKFPQ-MRXNPFEDSA-N 404.515 1.410 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1358937524 ZHVHJUPCMZMEJB-BBWFWOEESA-N 416.482 1.685 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1C[C@H]2CCC(=O)N[C@H]2C1 1359075913 KEHMUDBQSXNZNN-OLZOCXBDSA-N 423.315 1.138 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCOC[C@@H]1C 1359091346 MKORYEWWBMLVPM-JJXSEGSLSA-N 413.544 1.095 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)COC)CC1 1359344496 ZRHSOKRHNMKXGK-UHFFFAOYSA-N 416.551 1.478 30 10 HDEE CC(C)(O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)c1 1359599057 XYVHMGWADPHYSC-IAGOWNOFSA-N 410.478 1.234 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@]1(O)CCCC1(C)C 1360671024 BDMYKRMEXUHNOX-IFXJQAMLSA-N 424.571 1.569 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)NCC3(S(C)(=O)=O)CCCCC3)CC2)o1 1437757452 CZVKKGIRNBGZRU-UHFFFAOYSA-N 408.524 1.935 30 10 HDEE CN1C(=O)CN(CC(=O)N2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1439789911 SOJIXIGGFWDZJG-RNFRBKRXSA-N 423.260 1.510 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C)CCCC[C@@H]2C(=O)OC)s1 1446871013 RQWDTUIFENETQU-KDOFPFPSSA-N 414.549 1.993 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O 1450329317 QRYAJEZTAZOXMJ-IEZWGBDMSA-N 408.520 1.549 30 10 HDEE N#CCc1ccsc1C(=O)N1CCN(CCNS(=O)(=O)c2ccccc2)CC1 1453820268 ZAJFVRWNHDZPRO-UHFFFAOYSA-N 418.544 1.550 30 10 HDEE COC(=O)c1coc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)c1 1454299624 VSQOXTPKEXBYJX-UHFFFAOYSA-N 405.432 1.201 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCN[C@@H](c2ccc(F)cc2)C1 1455440115 CMZXCJJAYGDVEA-IFXJQAMLSA-N 416.478 1.537 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)CNC(=O)c1ccc(C#N)cc1 1457043627 SCZLWWBMQDNNGR-KRWDZBQOSA-N 416.478 1.382 30 10 HDEE Cc1cc(NC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)nn1CCC#N 1458448855 QGYBSPIOLGJYCS-UHFFFAOYSA-N 410.496 1.580 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)Nc3cc(C)c(N(C)C)cc3C#N)CC2=O)cn1 1460650795 GCJYLXWSDFZERQ-MRXNPFEDSA-N 410.478 1.767 30 10 HDEE N#Cc1ccc(NCC(=O)NCC2CCN(S(=O)(=O)C(F)(F)F)CC2)nc1 1465082963 HPJBAILCHQMXAN-UHFFFAOYSA-N 405.402 1.043 30 10 HDEE N#CCC(=O)N1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccncc2)CC1 1465872188 FOTFJLBTZACHAV-FCHUYYIVSA-N 417.513 1.882 30 10 HDEE N#CCc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1468127434 BYIVAFRMMHQSJH-KSZLIROESA-N 403.504 1.801 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1COc2cc(F)ccc2C1 1470248675 HFHMWVQFAUVUBP-MLGOLLRUSA-N 403.435 1.484 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@@H]1COCCN1C(=O)OC(C)(C)C 1471030269 YSDDABALMWFRAK-QZTJIDSGSA-N 418.494 1.869 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N[C@H](CC#N)C(F)(F)F)CC2)cc1 1471959644 DVXVENIHRPQECP-OAHLLOKOSA-N 418.441 1.262 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1479060383 AXGXJKKEVYXGGG-OAHLLOKOSA-N 419.507 1.007 30 10 HDEE CN(c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1)[C@@H]1CCS(=O)(=O)C1 1503424660 GMUQUFSQOCNPCW-OAHLLOKOSA-N 412.475 1.400 30 10 HDEE COC[C@H](F)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@@](F)(C#N)C1 1504610827 SXMFABABHMAGEO-SJKOYZFVSA-N 410.450 1.696 30 10 HDEE C#CCN(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1cnn(CCOC)c1 1507620100 BHCSWEYUEFFAEV-UHFFFAOYSA-N 404.478 1.477 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCOC1 1507663733 AMNGSECNQBXJSO-GOSISDBHSA-N 416.489 1.810 30 10 HDEE C#CCSCCn1c(N2CCC[C@@H](CC(N)=O)C2)nnc1[C@@]1(OCC)CCOC1 1507757917 DMUJQBGCOXRMGN-OXJNMPFZSA-N 421.567 1.388 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507793534 AZYGWEZTFDDDHY-DBOLQNLKSA-N 416.570 1.557 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCN(CCC)C2)CC1 1507883196 ZXDRLTZBJFMJTC-IAGOWNOFSA-N 410.588 1.777 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1507961571 BXUCFPFGQDTUBS-UHFFFAOYSA-N 418.461 1.863 30 10 HDEE Cc1nnc(N2CCC([C@@H]3CCCO3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1511838506 XENAKXDHDNPFAJ-NSURYPBFSA-N 400.483 1.508 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1C[C@H]1CC=CCO1 1516591593 CLTKYBDMGVEYMV-DLBZAZTESA-N 424.509 1.536 30 10 HDEE C#CCSCC(=O)NC[C@@H](N1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 1523887050 UQSHXPGLYKXXQI-CYBMUJFWSA-N 409.474 1.953 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(COC)cc1 1538971616 HQQJCNRYHGLMIB-LSDHHAIUSA-N 405.524 1.541 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1539142825 VTDYYNCXKGEAJM-FTRWYGJKSA-N 403.483 1.446 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1539176032 FXCRMMVFVFYUPM-QGZVFWFLSA-N 403.508 1.546 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1C[C@H](C1CC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1539222908 YKLOFKGFZWBSFC-QZTJIDSGSA-N 405.568 1.513 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C1CC1)N(C)C 1539250271 KIKKIAWGUFLIFO-FQEVSTJZSA-N 415.505 1.334 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCCn1cc(CO)nn1 1539305701 MBGXAWQPLCZFGQ-UHFFFAOYSA-N 414.473 1.454 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccn2)n1C[C@H]1CC[C@@]2(CCOC2)O1 1539417742 RVOMAUFIPGWOFS-KNQAVFIVSA-N 411.506 1.688 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2CCc2cn[nH]c2)CC1 1539474267 MQPMUBYGHJTIAS-UHFFFAOYSA-N 403.490 1.877 30 10 HDEE C=CCCCn1c(-c2ccc(CC)cc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1539989339 UTFUPRWDYIWUKQ-SFHVURJKSA-N 408.506 1.621 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N[C@@H](C#N)c3ccc(F)cc3)c(CCO)c2=O)n1 1540655499 NHMDWZHYVQFCQF-INIZCTEOSA-N 410.409 1.241 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccnc(C)n2)CC1 1540868107 RZQMRVQVRQBKSU-UHFFFAOYSA-N 419.493 1.067 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](n2cc(C)cn2)C1 1540869018 ZIVMVHKPKQXDIZ-MRXNPFEDSA-N 407.482 1.384 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2OCC[C@H]2C)C1 1540884965 YUNRVOMXJAHISG-QKPAOTATSA-N 413.544 1.095 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1541693458 CBHOKKXJFMTFIN-QGZVFWFLSA-N 423.521 1.692 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)C(=O)CNc1ccc(S(N)(=O)=O)cc1F 1542456588 UPIABXHAVVJGLI-UHFFFAOYSA-N 402.451 1.971 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 1545025514 DTMJSFQNJUNLHH-UHFFFAOYSA-N 417.466 1.105 30 10 HDEE C[C@@H]1COCCN1CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1 1545123944 XSZDBOYIUZRKHN-ZBFHGGJFSA-N 417.901 1.443 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccc(Cn2ccnc2)c1 1548184919 HIXPVBLJHULBCY-IBGZPJMESA-N 407.478 1.836 30 10 HDEE C#CC1(O)CCN(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)CC1 1557604697 ZKYVIELHKOTJTO-UHFFFAOYSA-N 415.309 1.300 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)N2CCCN(Cc3ccc(C)cc3)CC2)CC1 1559840440 HLWNTWPTMRHVGZ-UHFFFAOYSA-N 412.534 1.808 30 10 HDEE N#Cc1ccccc1OC[C@@H](O)CN1CCC2(CC1)CNC(=O)c1ccccc1O2 1560139673 FUJQUXNPAICVIU-SFHVURJKSA-N 407.470 1.955 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1)C(=O)OC 1561830001 YHTPMNIIEPVXGK-HNNXBMFYSA-N 404.510 1.161 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc(Cl)cc(C(N)=O)c2OC)n1 1562783667 IQKMDAOWSNJFAZ-UHFFFAOYSA-N 419.869 1.958 30 10 HDEE C=CCn1ncc2ccc(NC(=O)NCCS(=O)(=O)NC[C@@H]3CCCCO3)cc21 1563315454 LGEQDFQTMPRTMW-KRWDZBQOSA-N 421.523 1.832 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 1584964422 ANYRAOFOJIFKOV-NVXWUHKLSA-N 404.536 1.748 30 10 HDEE CCCCNC(=O)CN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1586522649 OANJOKBPHDRYNK-QGZVFWFLSA-N 423.558 1.634 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1587661430 BBPJLGKZNNQWQD-WMZOPIPTSA-N 413.526 1.093 30 10 HDEE C#CCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C(=O)NC)CC1 1587787917 SFCYFYIECMIFHW-UHFFFAOYSA-N 421.505 1.994 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CC2(C(N)=O)CCCC2)CC1 1588806652 YOKGWNSLRDETEV-UHFFFAOYSA-N 407.522 1.449 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2O)C1 1593884258 GQGMPEHONRUZQC-ZDUSSCGKSA-N 409.899 1.596 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCNC(=O)c1ccccc1F 1594857664 NVKXIVFRDBNONN-CYBMUJFWSA-N 424.502 1.080 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(-n2cncn2)c1 1594961802 FXXLPSOSPXADOR-MRXNPFEDSA-N 413.507 1.431 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc3ccccc3o2)nnc1N1CCC[C@H](C(=O)NC)C1 1595496939 LVGJMTCUIQPTPA-INIZCTEOSA-N 422.489 1.956 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(OC)c2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1595497120 QKHZTQFOPADYOQ-QAPCUYQASA-N 424.505 1.218 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCNC(=O)[C@H]1CC 1595507142 XPHWNFCPOWRNEP-OAHLLOKOSA-N 420.876 1.755 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC[C@H](N2CCCC2=O)C1 1595517272 VLSUABKLZIACPH-KRWDZBQOSA-N 408.506 1.757 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1C[C@H](C)O[C@@H](CC)C1 1595785387 YZYAKQOGEHVDJL-HOTGVXAUSA-N 407.540 1.888 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCOC[C@@H]1C 1595805753 TVIMNCVIFJZTGI-HNNXBMFYSA-N 408.499 1.834 30 10 HDEE CC(C)Cc1nnc(N2CCO[C@H](C#N)C2)n1CCNC(=O)c1ccccc1F 1606624375 FIXVQHOCYVUUTH-OAHLLOKOSA-N 400.458 1.774 30 10 HDEE N#C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1)c1ccc(Cl)cc1 1615098769 USOPAXYPEJHQIE-IRXDYDNUSA-N 416.840 1.763 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCc3nc(Br)ccc32)C1=O 1616525198 STDQUNQGJPGOPL-UHFFFAOYSA-N 407.224 1.100 30 10 HDEE Cn1cccc1-c1nnc(N2CC[C@](F)(C#N)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1618436779 NXDZSHKMQUGOKL-ZWSWSHGQSA-N 424.440 1.252 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2Cc2ccc(C#N)cc2[N+](=O)[O-])C1 1620470416 DPWPWHYMOQJLBU-UHFFFAOYSA-N 415.450 1.778 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC(CC(N)=O)CC3)C2)C1 1624807907 GTJOTCUYELCZMF-ZGOJQLDESA-N 404.511 1.887 30 10 HDEE N#Cc1ccc(NC(=O)Cc2ccc(C(N)=O)nc2)c(I)c1 1626254296 IORQPARTLXJSSR-UHFFFAOYSA-N 406.183 1.838 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)cc1 1630535381 DGNHWEVSTNIGMJ-VIFPVBQESA-N 402.354 1.491 30 10 HDEE C=CCC1(O)CCN(C(=O)N[C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 1632796081 FRYQYAVRCQWXQN-SFHVURJKSA-N 403.479 1.922 30 10 HDEE Cc1ccc(C(=O)NCC2(OCCO)CCOCC2)cc1B1OC(C)(C)C(C)(C)O1 1633674443 BMUYFTKMSDXUDM-UHFFFAOYSA-N 419.327 1.582 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1cc(NS(C)(=O)=O)cc(C(F)(F)F)c1 1635948946 LDUAUJZURGLREB-UHFFFAOYSA-N 407.370 1.606 30 10 HDEE N#Cc1c(F)cc(CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)cc1F 1639274116 HYEMEVATWFTRMP-IFXJQAMLSA-N 417.387 1.796 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)c1cc2c(=O)n3ccccc3nc2n1C 1639961184 ABLWVOVOISNIAA-GOSISDBHSA-N 401.426 1.863 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(Nc4ccccc4C#N)CC3)sc2n(C)c1=O 1641564340 NRTJVXVVAPQWEV-UHFFFAOYSA-N 423.498 1.887 30 10 HDEE C#C[C@@H](CO)NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 1641574978 UVCGVPJLJZCGRM-KRWDZBQOSA-N 406.891 1.641 30 10 HDEE COc1ccc(S(=O)(=O)NCCC(=O)N2Cc3ccc(C#N)cc3C2)cc1OC 1643728214 DIFXJUNCHGUNLR-UHFFFAOYSA-N 415.471 1.786 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](C)N2C(=O)c3ccc(Br)cc3C2=O)C1 1644638658 WWISLPVBDARCES-JSGCOSHPSA-N 418.291 1.647 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1CCC(C)(N2CCC2)CC1 1646168589 IXPNYFIFWWRIJM-XRTORIHISA-N 404.536 1.748 30 10 HDEE COc1cccc([C@H](CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)OC)c1 1646326961 GHRDKHQTABISHK-LIRRHRJNSA-N 417.487 1.738 30 10 HDEE C[C@H]1COCCN1CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@](C)(C#N)C1 1649563288 GWOSHMYXHWUMFO-LAUBAEHRSA-N 415.542 1.365 30 10 HDEE COc1ccc2ncc(C#N)c(OCC(=O)NC[C@H]3CN(CC(C)C)CCO3)c2c1 1652072168 GCAIOAJJSMTYNE-SFHVURJKSA-N 412.490 1.967 30 10 HDEE Cc1cc(C(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c(C)n1Cc1ccc(F)cc1 1652959815 FBJKLRRRDGZBMR-UHFFFAOYSA-N 424.432 1.363 30 10 HDEE CN(C[C@@H](O)CN1CCN(c2oc(C3CC3)nc2C#N)CC1)C(=O)OC(C)(C)C 1653622825 HVFODZLJDZDJPS-OAHLLOKOSA-N 405.499 1.773 30 10 HDEE Cc1cc(C)c(NC(=O)CNC(=O)Cn2c(=O)c(C#N)c(C)n(C3CC3)c2=O)c(C)c1 1656801419 GPMKIAIOWJDCJQ-UHFFFAOYSA-N 423.473 1.205 30 10 HDEE COC(=O)c1nscc1S(=O)(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1665589431 FVHMAUMIZRKKFF-UHFFFAOYSA-N 410.452 1.451 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N[C@@H](c2cc(OC)cc(OC)c2)c2nccn2C)C1 1666153876 ABXCHWNEXPMTQT-PXNSSMCTSA-N 411.506 1.924 30 10 HDEE C#CCOCCN(C)S(=O)(=O)CC1CCN(C(=O)OCc2ccccc2)CC1 1666217110 IHVJWUKEPBRYBH-UHFFFAOYSA-N 408.520 1.947 30 10 HDEE C=C1CN(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)C1 1667569810 DTFDMLGUYPIFGI-UHFFFAOYSA-N 406.508 1.711 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc3c(cc2Br)OCCO3)CC1 1670466017 XZOPRSTYKGTPGZ-UHFFFAOYSA-N 402.266 1.369 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CCC[C@]34CCCO4)CC2)cc1 1675536698 UWLJPGZQQGQKBY-QUCCMNQESA-N 418.519 1.676 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2C(F)(F)F)CC1 1675981083 BQMSLEMSXDOZKP-UHFFFAOYSA-N 418.441 1.043 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NC[C@@H]3CC[C@]4(CO[C@H](C)C4)O3)CC2)c1C#N 1676159405 CGWSHGYRTUBUQU-IIMJZQEZSA-N 402.499 1.158 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC([C@@]3(C)COC(=O)N3)CC2)C1 1679943938 DTXJBEVZPZENML-XBHMSOGKSA-N 421.498 1.666 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)N2CCN(c3ncc(F)cn3)CC2)CC1 1684479972 AWZNRCUXLKRUFI-UHFFFAOYSA-N 409.469 1.988 30 10 HDEE N#Cc1ccc(CN2CCCN(C(=O)N[C@@H]3CCN(c4cc(O)ncn4)C3)CC2)cc1 1684555974 HRLHISKAXZDXGB-LJQANCHMSA-N 421.505 1.550 30 10 HDEE C=C[C@H](C)ONC(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1686939588 LRRSOGOZJOKVMD-GWCFXTLKSA-N 415.231 1.980 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCC[C@@H]1NC(=O)NC1=O 1689843244 ROTQZUTYKVQPLB-OCCSQVGLSA-N 410.434 1.120 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1689844756 IQPRRMSOJJDQCR-MJGOQNOKSA-N 409.538 1.741 30 10 HDEE C#CCN(c1nnc(C)n1CCOCc1ccc(OC)cc1)[C@@H]1CCS(=O)(=O)C1 1689982337 KWGXGLLDJQIMJF-GOSISDBHSA-N 418.519 1.439 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)N2CCCC2)n1Cc1ccc(C(N)=O)nc1 1690188416 IYLLUSUQMIRVRZ-OAQYLSRUSA-N 407.478 1.048 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(C)(=O)=O 1690200060 JOVLGWGESFJTFB-HXUWFJFHSA-N 416.503 1.753 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2CCS(=O)(=O)CC2)CC1 1690366229 UDQDKKZGMJKLLF-FQEVSTJZSA-N 424.567 1.911 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](Oc2ccccn2)C1 1690470499 CZFGASDXXSEQTD-HOTGVXAUSA-N 420.539 1.907 30 10 HDEE C=CCCOCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](c2noc(C)n2)C1 1690497111 HTMKLBOMSRALBB-HNNXBMFYSA-N 419.486 1.278 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(=C)Cl 1690622688 VQJCHZLZMIGWCI-AWEZNQCLSA-N 419.935 1.002 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H]1NC(=O)CC1(C)C 1694327981 VMYOCGHHRIPKIM-XOBRGWDASA-N 419.505 1.553 30 10 HDEE CO[C@H](CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N)C(F)(F)F 1697139759 XAUUQEAOUVVLCY-RWMBFGLXSA-N 423.461 1.743 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1705478656 FHIDGVOGUMGELD-KXBFYZLASA-N 410.540 1.213 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1 1705530116 IWSBPLAPZPPCQZ-CYBMUJFWSA-N 409.416 1.597 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1705533620 PRNAGKOTLPYYTD-KRWDZBQOSA-N 416.526 1.947 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@]1(C)CCCO1 1705593087 FLSJLNZKJZDKQU-QFIPXVFZSA-N 416.489 1.953 30 10 HDEE C=CC1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCS(=O)(=O)C2)CC1 1705775767 LVLHFRLJZDNMBZ-INIZCTEOSA-N 409.556 1.644 30 10 HDEE C=CCCCn1c(COCC)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 1705823440 LSURBGUTKBEZJI-IEBWSBKVSA-N 404.559 1.770 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccncc2)n1C[C@@H]1CCCCS1(=O)=O 1706749661 AEDJCIFEUOTVCL-RDJZCZTQSA-N 402.524 1.970 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C)(C#N)CC2)n1C[C@@H]1CC=CCO1 1706866184 HNAAVHZLLZUALP-CABCVRRESA-N 408.528 1.363 30 10 HDEE CCN(C)C(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC[C@H](OC)C1 1709908612 CMGHAHZILMMWMO-SFHVURJKSA-N 412.494 1.822 30 10 HDEE CCn1cnnc1Cn1c(N(C)[C@@H](C)CC#N)nnc1[C@@]1(OC(C)C)CCOC1 1710201084 HVCHLYUSKFYDKX-HNAYVOBHSA-N 402.503 1.717 30 10 HDEE COC(=O)C1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1711449900 WGNOCRNQEJGOLZ-VLGSPTGOSA-N 414.466 1.071 30 10 HDEE COc1cccc(-c2nnc(N3CCO[C@@H](C#N)C3)n2CC2CCN(C(C)=O)CC2)c1 1711916457 GEYKJASHGWNYTB-FQEVSTJZSA-N 424.505 1.941 30 10 HDEE COCCN(C)c1nnc(-c2ccc(C)o2)n1CCN/C(O)=C1/N=CC=CC1=O 1712409755 OHXGCQDOVRRNEG-VLGSPTGOSA-N 400.439 1.456 30 10 HDEE COCCOCCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCO[C@H](C#N)C1 1712615331 GUANMUVXHUOMTP-MRXNPFEDSA-N 417.466 1.354 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H](c2nccs2)C1 1722324713 WVBXLAOXMQSQKD-UONOGXRCSA-N 424.552 1.336 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1cc2ccccc2[nH]1 1722373076 IOLQCUFPJXMVEJ-INIZCTEOSA-N 424.530 1.685 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cc(OC)c(OC)c(OC)c1 1722382311 XUWVXPOUAATKIJ-MRXNPFEDSA-N 423.473 1.376 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCS1 1722419356 YHSSNVFEGBIXOL-OAHLLOKOSA-N 400.508 1.907 30 10 HDEE C=CCCOCCn1c(-c2cccnc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1722626003 FWAPOXBLVUPFBX-UHFFFAOYSA-N 422.493 1.520 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1722630369 YUPBSFVVSIQQGU-OAHLLOKOSA-N 409.512 1.706 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOCC1(C)C 1722672233 MROAEFQFBCOGOA-KRWDZBQOSA-N 423.583 1.469 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCC[C@@H]2C)C1 1722709901 YZVXSGMVCVKDSP-FVJLSDCUSA-N 403.527 1.847 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCCOC(C)C)C1 1722719673 YMXKAYWUHIYXGA-DLBZAZTESA-N 412.556 1.777 30 10 HDEE CCN(CC)C[C@H]1CCN(c2nnc(C)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1728408959 KHTSWAYIEQSYLK-OZNQOIHVSA-N 401.515 1.281 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCCCC1=O 1730844753 UBYFBMYUGMAIRU-OXQOHEQNSA-N 422.505 1.847 30 10 HDEE COCCOC1(Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)CC#N)CCOCC1 1730881876 XJSAQSPPPCLXKI-IRXDYDNUSA-N 407.515 1.733 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCc1ccn(C)n1 1740553454 SLXXTLVRAXOHNS-QGZVFWFLSA-N 419.537 1.886 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCOC(C)C)[C@H]1CCS(=O)(=O)C1 1740620041 BPWJYFYWRNEIQH-KRWDZBQOSA-N 420.539 1.120 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1740885310 DECHGPBMTFAYEG-GJZGRUSLSA-N 417.470 1.091 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCCS(=O)(=O)C1 1740903398 AKVNCFXNSNMACZ-CQSZACIVSA-N 423.564 1.717 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CCN1CCOC(C)(C)C1)C1CC1 1740912390 BVTBTHAOQXMJHG-UHFFFAOYSA-N 402.543 1.666 30 10 HDEE C=CCNC(=O)Cn1c(N2CCCO[C@H](C)C2)nnc1[C@]1(OC(C)C)CCOC1 1740964641 FXTFXDPTMZHTPM-UZLBHIALSA-N 407.515 1.236 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c(C)noc2C)C1 1740982657 VPMXSFVCBKNFOV-JKSUJKDBSA-N 421.523 1.615 30 10 HDEE CN(C)C(=O)C1(Cn2c([C@H]3CCCO3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1747524942 OOMSAXZIJOEIGV-JKSUJKDBSA-N 402.499 1.507 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCC(=O)N1CCOCC1 1748800273 VHTPHDCXCVCKOS-UHFFFAOYSA-N 417.897 1.829 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCO2)n1Cc1ccccc1S(=O)(=O)N(C)C 1748802779 JIFVOMVWZKSPMQ-MRXNPFEDSA-N 403.508 1.498 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2C[C@H]2CCOC[C@H]2OC)CC1 1749015220 APRCQBTVKKLIAQ-RTBURBONSA-N 415.538 1.248 30 10 HDEE C=CCCCn1c(C(=O)NC(C)C)nnc1N1CCC(C(=O)N2CCOCC2)CC1 1749409551 WNWRJCSDYHDONY-UHFFFAOYSA-N 418.542 1.458 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1sccc1C 1749488358 JJAQOQVQISVBHA-AWEZNQCLSA-N 411.553 1.651 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 1749650219 NVXPSZXFLXZJRR-MRXNPFEDSA-N 417.558 1.029 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(F)F)CC1 1749659470 DHEFZOVLDSFHDI-UHFFFAOYSA-N 415.448 1.506 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccccc2F)nnc1N1CCNC(=O)[C@@H]1CC 1749681104 XBWACVBTBISDMX-HNNXBMFYSA-N 416.457 1.013 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCn2nc(C)nc2C1 1749760930 RMXMZAXCDALAHV-UHFFFAOYSA-N 402.528 1.240 30 10 HDEE C=CCSCCn1c(Cc2ccsc2)nnc1N1CCO[C@H](C(=O)NC)C1 1749762186 SIQZZKXYMCZGHC-HNNXBMFYSA-N 407.565 1.801 30 10 HDEE CC1CCN(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 1752262863 CBGIBDSYOWAHNM-LJQANCHMSA-N 407.522 1.860 30 10 HDEE C=CCCCC(=O)NCCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)C1 1758793326 IYAJDSKFAUENQD-UQZKUAJDSA-N 403.523 1.237 30 10 HDEE C#CCN(C)c1nnc([C@]2(OCC)CCOC2)n1CCc1nnc2n1CCCCC2 1760165428 SAPWJHYOYGTJPQ-NRFANRHFSA-N 413.526 1.560 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CC(=O)NCCC 1760233052 PSCQTXGVOACZEM-UHFFFAOYSA-N 421.505 1.661 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2ccccc2-n2ccnc2)CC1 1760263429 ASIKJSJQUGRJLJ-UHFFFAOYSA-N 405.506 1.804 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCC(NS(=O)(=O)CC)CC1 1760283073 AGICQDUYHSYMEY-UHFFFAOYSA-N 411.597 1.505 30 10 HDEE C=C(C)COCCn1c(C2CCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1760356408 MSQODSWTSIRZSY-LJQANCHMSA-N 416.570 1.881 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](OCCOC)C1 1760366352 XIQIRZMQTWJXNG-UONOGXRCSA-N 421.951 1.273 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCSC(C)(C)C1 1760548658 MLNAKXHXGNGEEY-UHFFFAOYSA-N 415.585 1.349 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[C@H](COCC)C1 1760555212 ACRCYDAYBRJJPQ-DLBZAZTESA-N 412.556 1.636 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@@](C)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1765891063 ULPMDDFWIBJAFB-JRGCBEDISA-N 419.526 1.866 30 10 HDEE CCOC1CC(O)(Cn2c(-c3ccc(C#N)cc3)nnc2N2CC[C@](C)(C(N)=O)C2)C1 1767692259 HVYVMGUCJQRKAC-LPBNZCGVSA-N 424.505 1.448 30 10 HDEE CN(C)CCOCCn1c(C2CC2)nnc1N1CCN(c2ccccc2C#N)CC1 1768520410 OGCQZCQPXPEQBY-UHFFFAOYSA-N 409.538 1.932 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CCO[C@@H](C#N)C2)CCCC1 1771343123 NPTTYIFMTLNIAV-CVEARBPZSA-N 423.539 1.258 30 10 HDEE C=CCN(C(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cccc(C)c1)[C@H]1CCN(C)C1=O 1849201839 RFWRPCNMFSTJHX-MOPGFXCFSA-N 421.563 1.933 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 1850744617 VBMGQNZDYTUJSI-CYBMUJFWSA-N 401.891 1.313 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cnc(-c2ccccn2)nc1C(F)(F)F 1851287017 CYTVQWWWNDYWPG-UHFFFAOYSA-N 405.380 1.623 30 10 HDEE O=C(NCC#CCN1CCCC1)c1cc(Br)cnc1N1CCOCC1 1852493248 OIIQUKCPQGYTOC-UHFFFAOYSA-N 407.312 1.510 30 10 HDEE N#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CC1 1852649232 FFEWYPOTISZXHT-INIZCTEOSA-N 410.927 1.551 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCC[C@H]1C(=O)N1CCN(C(C)C)CC1 1853216789 PBFDTQCGFPQGFU-SFHVURJKSA-N 414.506 1.489 30 10 HDEE Cc1ccc2ncc(C(=O)N3CCN([C@H]4CCN([C@@H](C)CCC#N)C4)CC3=O)n2c1 1854967124 JVFBPCRLORAXLC-ROUUACIJSA-N 408.506 1.694 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1S(=O)(=O)c1cc(F)cc(F)c1 1855029792 ZOKAERCXHRWVBS-NSHDSACASA-N 420.397 1.293 30 10 HDEE C=CCCN1CCC([C@@H]2CC(=O)N(C(=O)C[C@@H]3CSc4nccc(=O)n43)C2)CC1 1855037830 CRMSYALCYMMCGD-IAGOWNOFSA-N 416.547 1.943 30 10 HDEE C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN([C@H]2CCN(CCC#N)C2)CC1=O 1855120681 DYNKHAVTLULBGT-WBVHZDCISA-N 404.898 1.766 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CCN1Cc1ccc(C#N)cc1 1855644458 RHHPSAAEGRLLLX-LPHOPBHVSA-N 408.502 1.909 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(CCN2CCOCCC2=O)C2(CCCC2)C1=O 1856034694 XIOUDMONJFJYFK-GOSISDBHSA-N 405.539 1.821 30 10 HDEE N#CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1856156671 AJULQRCCONCHBM-ROUUACIJSA-N 416.522 1.015 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3CC[C@H](N4CCC5(CC4)C[C@@H]5C#N)C3=O)c2c1 1856552859 LXDMWJFMLRQOGA-CVEARBPZSA-N 408.458 1.656 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)CCc3ccc(F)cc3)C(=O)O2)CC1 1856603214 MBUFQCZAVVJUAD-KRWDZBQOSA-N 423.466 1.671 30 10 HDEE Cn1cc(C(=O)N2C[C@@H](CN3CCC(Oc4ccc(C#N)cc4)CC3)CC2=O)nn1 1856634945 ADAJSISQNCLADK-MRXNPFEDSA-N 408.462 1.219 30 10 HDEE CCCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3cccc(C#N)c3)C2)CC1 1857038054 OVQPVOOSOSLOGN-GOSISDBHSA-N 403.504 1.999 30 10 HDEE C=CCN(C[C@H]1CC(=O)N(C(=O)c2nccc(Cl)c2F)C1)[C@H]1CCN(C)C1=O 1857237320 YXIRFJBSTQMTMT-OCCSQVGLSA-N 408.861 1.582 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)CN3CCCC3=O)C2)CC1 1857250055 DLZKMUFEUWLJFR-INIZCTEOSA-N 409.490 1.130 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCc4nc(C)sc4C3)CC2=O)CC1=O 1857305300 FAVUAMRTEBDOPV-GJZGRUSLSA-N 402.520 1.219 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2CC[C@H](N3CCC(C#N)CC3)C2=O)cc1 1857306179 NWHQRSSOFKAAAQ-IBGZPJMESA-N 417.531 1.774 30 10 HDEE C=CCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)c1ccc2nc(-c3ccccc3O)[nH]c2c1 1860959385 DFBOLPGNJDWYAT-KSSFIOAISA-N 406.442 1.813 30 10 HDEE CC[C@H](C)[C@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)NCCCN(CC)CC 1869933707 MVYCJIGYMKAKEV-YJBOKZPZSA-N 408.568 1.988 30 10 HDEE N#Cc1ncccc1OCC1CN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 1891277050 HPVQZQCOBUUMJW-UHFFFAOYSA-N 401.426 1.709 30 10 HDEE COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CC(COc2cccnc2C#N)C1 1891399332 NXSUMEKVOFXKSV-UHFFFAOYSA-N 417.425 1.659 30 10 HDEE C=C(Br)CS(=O)(=O)N=[S@@]1(=O)CC[C@@H](NC(=O)OC(C)(C)C)C1 1962321864 ZZJGXGFVHXHNMU-LADRHHBVSA-N 417.347 1.990 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](CC(=O)N[C@H](C(=O)O)C(C)(C)S)OCC12CC2 2195307096 NWGORYDDKHXDFU-WCQYABFASA-N 402.513 1.823 30 10 HDEE C[C@H](c1nscc1B1OC(C)(C)C(C)(C)O1)N(C)C(=O)NCS(C)(=O)=O 2203125840 XXYIXFOPLOFAQD-SNVBAGLBSA-N 403.335 1.147 30 10 HDEE COC[C@@H](C)S(=O)(=O)N1CCc2sc(B3OC(C)(C)C(C)(C)O3)cc2C1 2206345982 FCBKAPMPXYXLRU-GFCCVEGCSA-N 401.359 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@H](O)[C@@H]1CNc1ncc(Br)cc1C#N 2218612888 GSQNMSUWIYULFH-RWMBFGLXSA-N 413.272 1.469 30 10 HDEE C[C@H](C#N)C1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C)CC1 2236699504 KCQBWTPSZWGDDK-HIFRSBDPSA-N 401.529 1.713 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 2248404360 LWYCZGGZGHZISZ-HNNXBMFYSA-N 424.278 1.949 30 10 HDEE CC1(C)OB(c2ccoc2C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)OC1(C)C 2249483675 FJRPENLHWMSIFE-UHFFFAOYSA-N 416.205 1.862 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCC3CC4(C3)OCCO4)s2)OC1(C)C 2255753673 VCQFVAYGGVRIOE-UHFFFAOYSA-N 415.342 1.479 30 10 HDEE C#Cc1cccc(NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258170308 VODJQKSGFRMQEX-KRWDZBQOSA-N 402.428 1.789 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N[C@H](C)CCS(C)(=O)=O)s1 2281931567 FUDBTANLWWXXIN-LLVKDONJSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCNC[C@@H]3C(=O)O)sc2Cl)OC1(C)C 2281971715 JFQFLGJVHPATPF-SNVBAGLBSA-N 400.693 1.199 30 10 HDEE CO[C@H]1CN[C@H](CNC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2282617079 DCIQFSNDANCNAO-WDEREUQCSA-N 400.737 1.807 30 10 HDEE CN(CC(C)(C)N)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282827857 FFJWXVYGQPBRQX-UHFFFAOYSA-N 402.753 1.997 30 10 HDEE CC1(C)[C@@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C[C@H]1O 2282849197 XRQZSMWBCDKASO-DGCLKSJQSA-N 401.359 1.733 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCC[C@@H]2CCO)OC1(C)C 2282849917 IOVRPZSZDBQEIK-TZMCWYRMSA-N 401.359 1.877 30 10 HDEE C[C@H]1[C@@H](N)[C@H](C)CCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282855209 AVQSSRSTXIOZNU-XUJVJEKNSA-N 400.375 1.794 30 10 HDEE C[C@@H]1CSCCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282855981 LVWTXSPDEZNUEI-GFCCVEGCSA-N 401.363 1.235 30 10 HDEE CC1(C)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)CC[C@@H]1N 2282856405 RPYDZWCMAZIHQI-ZDUSSCGKSA-N 400.375 1.795 30 10 HDEE C[S@@](=O)CCCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282866559 LRRJUJYYIIAUGJ-RUZDIDTESA-N 421.777 1.686 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H](C)C(=O)O)c1B1OC(C)(C)C(C)(C)O1 2284399883 PHBQUYUZIDDTJB-SECBINFHSA-N 403.331 1.663 30 10 HDEE CCCCOc1ccc(C=Nn2c(CNC(C)=O)nnc2SCC(N)=O)cc1 2330743659 LIAZQXSXJSIQEU-UHFFFAOYSA-N 404.496 1.553 30 10 HDEE C#CCO[C@H]1CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2338817460 PWSRNFRGBAETBU-KRWDZBQOSA-N 418.515 1.897 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)C12COC(CNC(=O)OC(C)(C)C)(C1)C2 2365198885 JNCCRYCRLAINCJ-YCMKEVRSSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)NCC1CCC(O)(C(=O)C#CC(C)(C)S(C)(=O)=O)CC1 2365200950 CSPKRQRCBJXZML-UHFFFAOYSA-N 401.525 1.828 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2365210538 ISPGKNMOSRMNFW-SPYBWZPUSA-N 402.557 1.409 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCO1 2367789252 RRRUAMAYCKBLTO-OAGGEKHMSA-N 400.541 1.617 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)C[C@@H](COC)NC(=O)OC(C)(C)C 2367800116 GVNMOHUMSOPLKE-CVEARBPZSA-N 402.557 1.865 30 10 HDEE CCn1ncc(I)c1NS(=O)(=O)N1CCC(C#N)CC1 2382016501 BTKAASJGSXFNIR-UHFFFAOYSA-N 409.253 1.400 30 10 HDEE Cn1nc(Br)nc1[C@H](O)[C@@H](N)C#Cc1cccc(Br)c1 2382077466 GHJRHCBZASWQAV-WDEREUQCSA-N 400.074 1.753 30 10 HDEE C=CCOC[C@@H](O)CN1CCO[C@H](CN(CCOC)C(=O)c2ccc(OC)cc2)C1 34691367 URFDEDURMYRKTK-FPOVZHCZSA-N 422.522 1.048 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CC2)nc1 53147086 LCZDRYCGSLPGIW-HNNXBMFYSA-N 411.412 1.933 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)[C@H]3CCCN3C(=O)Cc3cccs3)CC2)nc1 55321570 DRFRGHZPIWIKRB-GOSISDBHSA-N 409.515 1.897 30 10 HDEE CCOC(=O)C1CCN(c2nc3c(c(=O)[nH]2)[C@H](c2ccco2)[C@@H](C#N)C(=O)N3)CC1 72444622 SSMLAHSSSVJRTJ-OCCSQVGLSA-N 411.418 1.366 30 10 HDEE Cn1c2c(c(=O)n(C)c1=O)C(=O)/C(=C\NCc1ccccc1)C(=O)N2c1ccccc1 105267990 FCFNXQMLOKIMBX-SAPNQHFASA-N 416.437 1.619 30 10 HDEE N#Cc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)N2CCCCC2)CC1 106049854 BJUUDYDWIADBFV-UHFFFAOYSA-N 410.927 1.530 30 10 HDEE CN(CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)C[C@H]1CCCO1 108081405 AUALHDARBIQIJP-QGZVFWFLSA-N 422.551 1.987 30 10 HDEE C=CCOC(=O)NCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 169912369 OLYPNOYRJSBMCK-IBGZPJMESA-N 421.453 1.922 30 10 HDEE N#Cc1cc(-n2cnc(I)c2I)ncn1 307465847 DLYKYEPCZSODEM-UHFFFAOYSA-N 422.955 1.743 30 10 HDEE C[C@H](C(=O)NCc1ccc(Br)cc1N1CCOCC1)n1cnc(C#N)n1 409846207 YIJBFHGQQGPYDE-GFCCVEGCSA-N 419.283 1.626 30 10 HDEE COCCN(CCCC1(C#N)CCOCC1)c1c(O)nc(=O)n(CC(C)C)c1N 410423492 YETAXUSIJKNYJF-UHFFFAOYSA-N 407.515 1.740 30 10 HDEE CC(=O)NCCCc1nn(C)c(NS(=O)(=O)c2cccc3ncccc23)c1C#N 438250882 UNJLYRWZEJLVOK-UHFFFAOYSA-N 412.475 1.709 30 10 HDEE COC(=O)C(C)(C)N1CCN(C(=O)C(=O)Nc2cc(C#N)ccc2OC(C)C)CC1 441656474 NSQVYSZYLFXNHR-UHFFFAOYSA-N 416.478 1.380 30 10 HDEE Cc1csc(NC2CCN(C(=O)C(=O)Nc3nn(C(C)C)cc3C#N)CC2)n1 442557483 OJEPEOOIUUEZKR-UHFFFAOYSA-N 401.496 2.142 30 10 HDEE CSCCn1c(=C(C#N)C(=O)NC2CCCC2)sc(=Cc2ccccc2)c1=O 443547453 GVVWEGONJJIJCN-UHFFFAOYSA-N 413.568 1.835 30 10 HDEE COc1ccc([C@@H](CC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)NC(C)=O)cc1 471696901 KHECIFIVKUMWON-HXUWFJFHSA-N 424.505 1.525 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCO[C@@]3(CCCOC3)C2)c(C#N)cn1CCOC 480102250 BHGIQNUHUMUROZ-FQEVSTJZSA-N 420.466 1.596 30 10 HDEE CC(C)C[C@H](CO)N(C)CC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 481427130 WNZBYBZKTSUJNK-MRXNPFEDSA-N 415.494 1.794 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NCCNC(=O)c2ccccc2)cc1 483450916 XJTLDSHZTRMZNF-CQSZACIVSA-N 400.460 1.924 30 10 HDEE CCOC(=O)[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N 487341130 WOTKQZVJXBYIMM-VHSXEESVSA-N 421.397 1.312 30 10 HDEE CCOc1ccc(C[C@@H](CNS(=O)(=O)c2cnc(C)c(C#N)c2)C(=O)OC)cc1 489292280 MHUIWAXCQXHERC-KRWDZBQOSA-N 417.487 1.971 30 10 HDEE C[C@@H](Cn1ncc2ccccc2c1=O)NS(=O)(=O)Cc1cc(C#N)ccc1F 501164647 PKDQFKCIDBHTST-ZDUSSCGKSA-N 400.435 1.915 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCCN(Cc3cscn3)CC2)nn1CCC#N 504438164 HPLWPPDTWOKQPA-UHFFFAOYSA-N 401.496 1.235 30 10 HDEE COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C#N)C2CC2)CC1 505955289 UYRCUNMSTUNAAU-INIZCTEOSA-N 405.476 1.292 30 10 HDEE C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1 507472323 ZMSAKBZKBBJNRP-PXNSSMCTSA-N 400.523 1.363 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@H](CC)C1 508711949 GFMUDYPJZWVSIL-UONOGXRCSA-N 403.499 1.532 30 10 HDEE C=CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 508840880 NTAVZLAMKOGCMJ-MRXNPFEDSA-N 422.493 1.883 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 524497042 HOMVNVDXFNQJEW-OAQYLSRUSA-N 416.522 1.784 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CC[C@](O)(C(F)(F)F)C2)CC1 540553117 LQUOWWHETUFKPZ-FUHWJXTLSA-N 414.403 1.534 30 10 HDEE CC(C)(C(N)=O)N1CCN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CC1 541099991 DFBKIKNLXFFRSK-UHFFFAOYSA-N 415.885 1.811 30 10 HDEE COC(=O)c1cccc(CS(=O)(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546175311 SLWABDONWRHKOP-UHFFFAOYSA-N 400.460 1.392 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1CC[C@@H](n2cc(C(=O)OC)nn2)C1 549677040 NZWJUFKWKTVPDW-MRXNPFEDSA-N 408.466 1.670 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccsc2Br)CC1 565729144 DINPNSNBWHITDP-UHFFFAOYSA-N 401.330 1.640 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC3(CCOCC3)[C@@H]2O)c1 572859003 BMSRFEFMXPCFMX-SJLPKXTDSA-N 408.520 1.448 30 10 HDEE COc1cc2c(cc1F)CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)CC2 573769493 UONSFOXXUZPHHY-UHFFFAOYSA-N 403.435 1.569 30 10 HDEE CC(C)(C)NS(=O)(=O)CC(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 604536130 JTWFANVSGCGYEY-UHFFFAOYSA-N 406.508 1.453 30 10 HDEE CCOCCn1c(=C(C#N)C(=O)Nc2ccccc2)sc(=Cc2ccoc2)c1=O 727417459 FUJMEMDGQAXFKL-UHFFFAOYSA-N 409.467 1.681 30 10 HDEE COC(=O)c1ccc(OC(C)C)c(NC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1 732428349 DANBCNFNCIUYDY-ZCXUNETKSA-N 416.434 1.908 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccccc2S(=O)(=O)N2CCCCC2)CCN1C1CC1 732651157 XXAVFHICICPCEW-KRWDZBQOSA-N 402.520 1.674 30 10 HDEE Cc1cc(=O)c(C(=O)N2CCN(C3CC3)[C@H](C#N)C2)nn1-c1ccccc1[N+](=O)[O-] 732651471 BBZVDBYCXJHEJA-OAHLLOKOSA-N 408.418 1.262 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)CC2)cc1 732652144 OXYSAXFPFVGHNZ-LJQANCHMSA-N 416.547 1.595 30 10 HDEE CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)NCc1ccc(C#N)cc1)C2=O 746530806 KQFYCIIPCMMNCJ-UHFFFAOYSA-N 412.446 1.218 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC(F)F)C1=O 751926532 VNNKWGCSEVZFMD-ZYNBKEAPSA-N 413.494 1.257 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cncs2)c(=O)n1Cc1ccccc1 767883241 YXWVHCZFJLKLSM-UHFFFAOYSA-N 408.508 1.220 30 10 HDEE Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC2 776136990 QNYQADVGZJPGJD-JTQLQIEISA-N 404.414 1.905 30 10 HDEE COCCCOC1CN(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1 777569148 GGUVMUJSLJKPAQ-UZYVYHOESA-N 424.523 1.769 30 10 HDEE COc1ccc(CN(C(=O)[C@@H](O)c2ccc(C#N)cc2)[C@H]2CCS(=O)(=O)C2)cc1 780933962 DNOHCFGHFQQCFR-ICSRJNTNSA-N 414.483 1.816 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccccc2S(=O)(=O)CCC)n1 790104094 KBKDQBNOXUPGNN-UHFFFAOYSA-N 403.504 1.989 30 10 HDEE COC(=O)c1ccc(COC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)nc1 803218427 XGFKINBCGPNPHB-UHFFFAOYSA-N 403.416 1.040 30 10 HDEE COC(=O)[C@@]12CCOC[C@@H]1CN(C(=O)C1CCN(c3ccc(C#N)cc3F)CC1)C2 803290120 WQKCKSBZMBBWEH-HTAPYJJXSA-N 415.465 1.952 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 805784548 OPGSUQGVMVZGMR-HKUYNNGSSA-N 403.490 1.979 30 10 HDEE C#CCN(c1nnc(COc2ccccc2OCC)n1C)[C@@H]1CCS(=O)(=O)C1 809841215 AOJZEFHJUBIRJC-OAHLLOKOSA-N 404.492 1.420 30 10 HDEE C=CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 809927975 KOUNMDVQSCLXCR-GJZGRUSLSA-N 420.514 1.439 30 10 HDEE COC(=O)c1cc(S(=O)(=O)N2CCN(c3ncccc3C#N)CC2)c(C)cc1F 813645847 AUJBGDHMMAMTHY-UHFFFAOYSA-N 418.450 1.698 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2CC1 814380661 NQLHTGZSWKEXOR-IYBDPMFKSA-N 415.556 1.876 30 10 HDEE Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N[C@@H]3CCN(O)C3=O)c2)cc1 816692859 XHHSNQROQKTTOZ-QGZVFWFLSA-N 403.460 1.824 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N[C@H]2CCN(O)C2=O)c1 820174922 OQLSTXSMUKRSQA-INIZCTEOSA-N 424.523 1.037 30 10 HDEE CCN(C)Cc1cc(O[C@@H]2CCN(C(=O)CNC(=O)c3ccc(C#N)cc3)C2)ccn1 856630219 VBJJLPTVJOQTLT-OAQYLSRUSA-N 421.501 1.815 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1 918970811 ZVZXZGRRCNINHF-QZTJIDSGSA-N 422.503 1.478 30 10 HDEE CN(CCOc1ccc(C#N)cc1)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 921192041 IQHCEBQBNHVXAE-UHFFFAOYSA-N 402.495 1.948 30 10 HDEE Cn1cc(C=NNc2nc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n[nH]2)cn1 1084476583 CFPHLVGNDGFYMF-UHFFFAOYSA-N 401.412 1.623 30 10 HDEE CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2CCNC2=O)cc1 1125307542 NJJRPJVIMYTACB-CHOFAJOMSA-N 406.508 1.744 30 10 HDEE C#CCN(C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C)[C@H]1CCS(=O)(=O)C1 1125884807 ZYMIATQPWZOXQJ-NSHDSACASA-N 400.382 1.250 30 10 HDEE CNC(=O)[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1130469031 DDWGZNFDGKBBSF-FZKQIMNGSA-N 408.380 1.438 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1131148727 AZVBOPZDOJLDCO-OIISXLGYSA-N 421.494 1.456 30 10 HDEE O=C(N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)c1cccc(C#CCO)c1 1136692638 FUYPKBHKFWUKSB-FQEVSTJZSA-N 421.501 1.056 30 10 HDEE C=CCC[C@H](CO)NC(=O)c1ccc(Cl)c(S(=O)(=O)NC[C@@H]2CCCO2)c1 1140627274 RHNGOIHQLYHMSR-CABCVRRESA-N 416.927 1.854 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3cnn(C)c3)c(C)n2)c1 1141320355 OPPRUECCCNCKDB-UHFFFAOYSA-N 409.471 1.954 30 10 HDEE Cn1c(=O)oc2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)c(F)cc21 1141949512 DAAUJDLPJHOZIC-UHFFFAOYSA-N 404.379 1.059 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(O[C@H]3CC(=O)N3)c2)cc1 1142114519 PEQBECAGNDUUDO-SFHVURJKSA-N 414.443 1.356 30 10 HDEE C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N[C@H]1CCCc2cc(C#N)ccc21 1142423156 VWTVNMQRNKQOLK-LAUBAEHRSA-N 410.474 1.667 30 10 HDEE CC(C)(C)n1cc(Br)c(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)n1 1144429386 TVKAHAUTOQNSPZ-SQFISAMPSA-N 410.272 1.657 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1146246405 AONSNBMRASEZHT-UHFFFAOYSA-N 419.503 1.309 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(-c3cccc(Cl)c3)noc2C)CC1 1152967469 IATWAYRFLVMKMG-UHFFFAOYSA-N 422.894 1.529 30 10 HDEE C=CCC1(O)CN(C(=O)CCNS(=O)(=O)c2cccc(Br)c2)C1 1177698422 CCZHWJFXAQLBCS-UHFFFAOYSA-N 403.298 1.267 30 10 HDEE O=C1C=COC2(CCN(C(=O)c3cccc(S(=O)(=O)NCC4CC4)c3)CC2)C1 1179420998 AJSYAEHMVOIQJA-UHFFFAOYSA-N 404.488 1.853 30 10 HDEE C[C@H]1CN(S(=O)(=O)N2CCN(c3cc(C#N)sc3[N+](=O)[O-])CC2)C[C@H](C)O1 1184821407 RFOJHDQSWWWXIR-RYUDHWBXSA-N 415.497 1.004 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCNC(=O)[C@H]2c2ccc(Br)cc2)C1 1248676342 MWETUHQLPQIZAK-DLBZAZTESA-N 419.323 1.729 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1)c1ccc(Cl)cc1 1252449449 QKGLCRTWDCPKAW-HNNXBMFYSA-N 407.883 1.454 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)c2cc3n(n2)CCN(C)S3(=O)=O)c1 1265234025 HLBUFYDFJNTLGU-CQSZACIVSA-N 403.464 1.128 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CCN(CC)CCC(F)(F)F 1286293151 MICAOFQIICFVQF-ZIAGYGMSSA-N 400.449 1.961 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1Cc1ccc(CS(C)(=O)=O)cc1 1286376931 NUTUHJXJCWMRFL-UHFFFAOYSA-N 409.515 1.926 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCC)CC1)[C@@H]1CCS(=O)(=O)C1 1286389334 IFDGEZJDXAQWIE-CVEARBPZSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2noc3c2COCC3)n1Cc1c(C)nn(C)c1C 1286407964 XIFGTSDVRSZXGO-UHFFFAOYSA-N 405.462 1.477 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(CC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1286458158 LLYIAIXWSWQRCY-KRWDZBQOSA-N 419.526 1.901 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCC(=O)N2)n1CC1([S@@](C)=O)CC1 1286764528 RQNCECWISMWXJB-GUNSETOZSA-N 417.535 1.968 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CCO[C@H](Cn2cccn2)C1 1286784796 UERVBSARHUPNGI-SFHVURJKSA-N 421.505 1.658 30 10 HDEE C=CCOCC(=O)N1CC2(CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)CC2)[C@H]2COC[C@H]21 1289228695 IHHGZTPJYDIMHU-BHQCHZOVSA-N 416.518 1.078 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CS(=O)(=O)NC 1294124456 YJBCBXPVDSISLX-OLZOCXBDSA-N 409.936 1.563 30 10 HDEE CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccccc2C#N)CC1 1294611871 CXOMBRQFJWQATO-QGZVFWFLSA-N 414.535 1.788 30 10 HDEE Cc1cc(C2(C(=O)N[C@@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CCOCC2)on1 1297334045 IFMZVSFICSVYOM-GOSISDBHSA-N 408.458 1.820 30 10 HDEE CCOCc1nnc(N2C[C@@H](C#N)[C@H](c3ccccc3)C2)n1CCCS(C)(=O)=O 1297355452 UBMDTGCEXOLVQD-MSOLQXFVSA-N 417.535 1.993 30 10 HDEE CN(c1nnc([C@@H]2CCCCO2)n1CCN/C(O)=C1/N=CC=CC1=O)[C@H]1CCOC1 1298155924 MSAPEFGSGHRYHX-LZODEBLQSA-N 416.482 1.271 30 10 HDEE CN(CC1CCCC1)c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1298526138 AULOLWICHRKEJP-ZZEZOPTASA-N 422.493 1.888 30 10 HDEE CN(CCOCc1ccc(C#N)cc1)C(=O)[C@@H]1CS(=O)(=O)C[C@@H]1C(F)(F)F 1298754683 FOIQKPPOLIOGIG-CABCVRRESA-N 404.410 1.756 30 10 HDEE CNC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCc2cccnc2)CC1 1299273555 DVLPJPYFXWPVLV-UHFFFAOYSA-N 416.489 1.916 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCS(=O)(=O)C1 1300323160 XILVDKDVBMHAOO-KBPBESRZSA-N 421.548 1.162 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 1300457432 CYSZNWZZGPRRRL-ROUUACIJSA-N 422.489 1.464 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccccc1-c1cnn(C)c1 1300531514 COFOUMMFLVFTGQ-HXUWFJFHSA-N 413.485 1.751 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1CCc1nnc2n1CCCCC2 1300574801 KWIFBUUKCPGHAR-UHFFFAOYSA-N 417.521 1.702 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CC(=O)N(c2ccccc2)C1 1300620967 IESXYHIGKTXNRV-WMZOPIPTSA-N 406.490 1.742 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CCC(OC)CC2)CC1 1300681450 PVBMYTGNKJHBBH-UHFFFAOYSA-N 414.554 1.475 30 10 HDEE C#CCN1CCN(c2nnc(-c3noc4c3COCC4)n2CC(C)(C)SC)CC1 1300697756 JIXSVTAYHCQYNG-UHFFFAOYSA-N 416.551 1.903 30 10 HDEE C#CCN1CCN(c2nnc(CCCc3ccccc3)n2CCNC(=O)C2CC2)CC1 1300705736 CFAPJPIBUUFFOB-UHFFFAOYSA-N 420.561 1.735 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CC3)n2CCCO[C@H]2CCOC2)CC1 1300723384 TUHOZJPJXMOXAM-SFHVURJKSA-N 401.511 1.317 30 10 HDEE C=C(C)COCCn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1300982283 GGRCYEYCUVUURE-KRWDZBQOSA-N 411.510 1.973 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CC=CCC2)CC1 1301126294 SFCVMRSKAWOGBF-GOSISDBHSA-N 405.568 1.845 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@]1(C)C(=O)OC(C)(C)C 1301172803 NOYQUFISGZZSPL-JLTOFOAXSA-N 421.519 1.948 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1C[C@@H]2[C@H]3CC[C@@H](C3)[C@H]21 1301478894 QYBFRMRIGKLLBX-KJGCVMFHSA-N 400.527 1.733 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCc2sccc2C1 1301478958 RLMYWICBIOEWFM-UHFFFAOYSA-N 423.502 1.852 30 10 HDEE C=CCOc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCO[C@@H](C#N)C2)cc1 1301529880 NZHQYNAKWHCVFX-IBGZPJMESA-N 422.489 1.742 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CC(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1301556821 MQAGAINIKVCVKQ-IBGZPJMESA-N 404.559 1.422 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@H](C)N1CCOCC1 1302241731 BOJQFHZJAUFLHI-OWSLCNJRSA-N 406.531 1.319 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(COc2ccccc2F)n1C[C@@]1(O)CCN(C)C1 1303641934 FPTKWROVYCZXDO-MGPUTAFESA-N 402.474 1.801 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOC[C@@H]1C[C@@H]1CCCO1 1304200705 OQMCAEAXPQUVLX-HOTGVXAUSA-N 421.519 1.302 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CCN3C3CCOCC3)ccc2c1=O 1306899661 OOABLMZILWKWNS-MRXNPFEDSA-N 414.531 1.854 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(c3cc(Br)ccc3C#N)CC2)cn1C 1306995127 MKNYOEAOAUNLNP-UHFFFAOYSA-N 424.324 1.874 30 10 HDEE COC(=O)C1CC2(C1)C[C@@H](Nc1c(C#N)nnc3ccccc13)CCS2(=O)=O 1307228980 ZVNLWJIQOPMIOF-MLZJXEJWSA-N 400.460 1.812 30 10 HDEE N#Cc1ccc(N2CC[C@@H](N3CCc4sc(S(N)(=O)=O)cc4C3)C2=O)cc1 1307944791 FNZSAJCURQMDMD-OAHLLOKOSA-N 402.501 1.431 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)CCN2C(C)=O)C(=O)OC 1309443134 PKIMDHFONXCELR-KRWDZBQOSA-N 424.519 1.743 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1 1310130336 ARWSREYFXMLXMN-QGZVFWFLSA-N 406.508 1.768 30 10 HDEE CCOCc1nnc(N2Cc3ccccc3C2)n1CCN/C(O)=C1/N=CC=CC1=O 1314326798 TWVGTBZCWUSITP-VXPUYCOJSA-N 408.462 1.861 30 10 HDEE COCC(=O)N1CCN(c2nnc(COc3ccc(C#N)cc3)n2[C@@H]2C[C@@H]2C)CC1 1315751192 CCPPWLOJIJWARX-MAUKXSAKSA-N 410.478 1.605 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccc(F)cc3)n2CC[C@@H]2COCCO2)CCO1 1316539598 DYSODTYOCXJJJA-MSOLQXFVSA-N 417.441 1.530 30 10 HDEE C=CCO[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)C1 1320031719 ZKYQRXBDVPDSEA-XYJFISCASA-N 408.520 1.902 30 10 HDEE Cc1ccc(CN2C(=O)CC[C@H]2C(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)cc1 1357282088 BNEOQISQWCJQKA-KRWDZBQOSA-N 408.462 1.556 30 10 HDEE C#CCN(c1nnc(C)n1C[C@H](c1ccco1)N1CCCC1)[C@H]1CCS(=O)(=O)C1 1358957493 VFLOJOURUAFSMW-ZWKOTPCHSA-N 417.535 1.643 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccccc1Cl 1358978111 DIAJIZLXKFFLCZ-MRXNPFEDSA-N 402.907 1.955 30 10 HDEE C#CCSCCn1c(COc2ccc(F)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1359061216 VLGMRSVWZAKWRE-CQSZACIVSA-N 403.483 1.674 30 10 HDEE C=C1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)CC1 1359168375 RIFITPRUHHHPAW-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE C=CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1nnc2n1CCCCC2 1359229997 BQPHUAXVQQMNQM-UHFFFAOYSA-N 407.482 1.914 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 1359303822 BUBPDJFSJUGEJU-ZWKOTPCHSA-N 413.526 1.305 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCC(=O)N2)n1CCn1cc([C@H]2CCOC2)cn1 1359472699 OYHSCRHKWBIXPT-HLLBOEOZSA-N 412.498 1.226 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)c3ccc(N4NC(=O)CCC4=O)cc3)n2)cc1 1435321495 FUHLGJVZYAYJLI-UHFFFAOYSA-N 415.413 1.608 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@]2(C)CCCC[C@H]2C(=O)OC)s1 1446871015 RQWDTUIFENETQU-KSSFIOAISA-N 414.549 1.993 30 10 HDEE CCN(CCC#N)C(=O)CN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C1=O 1458958861 MJAOAJCJGMGSQD-HNNXBMFYSA-N 423.267 1.813 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](CCCC)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1=O 1467531517 HHJBALXTHZIBEI-ZACQAIPSSA-N 422.570 1.458 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc2ccccc2c1 1468557401 DKACLQFNEDCBSO-IEBWSBKVSA-N 420.556 1.740 30 10 HDEE CC[C@H](C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1469319196 FGQJYPSBPLZDEA-MAUKXSAKSA-N 407.536 1.872 30 10 HDEE CN(C)C(=O)[C@@H]1CC[C@H](CNC(=O)N2CCC[C@@H](Nc3ccc(C#N)cn3)C2)O1 1469591190 RTRSYEJMMFYVCS-ZACQAIPSSA-N 400.483 1.175 30 10 HDEE COCc1ccc([C@H]2COCCN2C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)o1 1471972996 IVDHWZPQRBWOHU-QGZVFWFLSA-N 419.459 1.176 30 10 HDEE CC(C)(C)OC(=O)[C@@]12COC[C@@H]1CN(CCS(=O)(=O)c1ccc(C#N)cn1)C2 1473629453 KKPDYWWENIITSY-KXBFYZLASA-N 407.492 1.017 30 10 HDEE COC(=O)[C@@]1(N2CCN(CC#Cc3ccc(OC(F)(F)F)cc3)CC2)CCOC1 1473657710 KFONTGWVVMAFHX-LJQANCHMSA-N 412.408 1.886 30 10 HDEE CNS(=O)(=O)c1ccc2c(c1)N(S(=O)(=O)c1c(C)cc(F)cc1C#N)CC2 1475035555 BRDPUVJHHOOGMP-UHFFFAOYSA-N 409.464 1.665 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](CNC(C)=O)C1 1503810111 BOQIQGDGCDUPTN-KRWDZBQOSA-N 409.494 1.305 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1CC(=O)NCC1CC1 1504972521 GXWDXZHMWYFYBW-FOIQADDNSA-N 404.515 1.658 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507522806 JRCVLKBGVMNKBW-RDJZCZTQSA-N 412.519 1.556 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1Cc1cn(C2COC2)nn1 1507662602 LQYMYCNDQCYLDA-UHFFFAOYSA-N 417.473 1.628 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccccn2)n1CCN1CCN(C(C)=O)CC1 1507773284 DIWLQWLHFRWEAA-HSZRJFAPSA-N 421.549 1.420 30 10 HDEE C=C(Cl)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1507870198 FWHKWPTVQGOUMB-KRWDZBQOSA-N 422.961 1.702 30 10 HDEE C=CCCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](n2cncn2)C1 1507957095 KQXHZWZYYDVMIL-KRWDZBQOSA-N 414.514 1.540 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)C1 1508112761 CCPNVRVRUAVMRP-STQMWFEESA-N 407.487 1.715 30 10 HDEE CC(=O)N1CCCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1508220481 MKIUYJQZIVOKLQ-UHFFFAOYSA-N 412.494 1.274 30 10 HDEE CC1=CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCS(C)(=O)=O)C1 1511379219 BNADXAAAEFBEIT-UHFFFAOYSA-N 401.492 1.930 30 10 HDEE COCC[C@](C)(O)Cn1c(CCCc2ccccc2)nnc1N1CCO[C@H](C#N)C1 1518971640 FLYMJEYFLGPORA-KNQAVFIVSA-N 413.522 1.970 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(c2cccnn2)CC1 1519071807 KEISQBUFHYQEQV-UHFFFAOYSA-N 404.478 1.970 30 10 HDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1519402248 OAZGBSFTCMAUTL-UHFFFAOYSA-N 409.450 1.471 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCC3)n2CC[C@H](C(F)F)N2CCOCC2)CCO1 1521130102 QJJBVPHZBHWHRH-JKSUJKDBSA-N 410.469 1.630 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccc(CC#N)cc2)cc1 1537511058 XVTTWSNHBLNTQK-UHFFFAOYSA-N 414.487 1.648 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)c2cnn(C(C)C)c2I)C1=O 1538451452 KJZHXECYFCNIRM-LBPRGKRZSA-N 416.263 1.928 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1C[C@@]1(O)CCOC1 1539196804 YLKDCMGKKUDVIA-YWZLYKJASA-N 405.499 1.571 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539222111 TUJJIEIBBHFEON-ZWKOTPCHSA-N 415.519 1.160 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCC2(C1)OCCO2 1539237250 BMZFOTGSLKQCIF-WIYYLYMNSA-N 414.506 1.546 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CN(CC(C)C)CCO2)s1 1539278065 MSWVWADMFHAQHS-HNNXBMFYSA-N 415.581 1.228 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CC(F)(F)CO1 1539396890 TWAITPQAWLCWQU-CQSZACIVSA-N 420.420 1.436 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)CC)n2CCNC(=O)C(C)(C)C)CC1 1539469033 MWBWTPZNIRFTDZ-MRXNPFEDSA-N 416.570 1.920 30 10 HDEE C#CCSCCn1c(-c2ccc(C)o2)nnc1N1CCC(NC(=O)COC)CC1 1539504248 CMYHPZTUIRYKHZ-UHFFFAOYSA-N 417.535 1.944 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1539519096 AWGIFGBRANWFDP-SJLPKXTDSA-N 401.536 1.870 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](NC(C)=O)C1 1539758579 OVQJUAHJSNSCAS-IBGZPJMESA-N 415.542 1.837 30 10 HDEE C=CCCCn1c(-c2nnc(O)c3ccccc23)nnc1N1CCS(=O)(=O)CC1 1539999454 IIJQREPGXZDUER-UHFFFAOYSA-N 414.491 1.795 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1540034099 WIGASYBZRXKVOZ-HOTGVXAUSA-N 420.514 1.537 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCC[C@@H](OC)C1 1540865100 VOPBIOZEOBGVKH-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CC2CCOCC2)nnc1[C@@]1(OCC)CCOC1 1540876559 VHJBLVXHTDXYSH-HXUWFJFHSA-N 407.515 1.095 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N(C)C[C@H]1CN(CC)c2ccccc2O1 1540898126 AIINRYAIDBRVGS-KRWDZBQOSA-N 419.551 1.911 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CCC(C(N)=O)CC1 1540900934 NJBXDBSIQUDDJP-UHFFFAOYSA-N 421.498 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@](C)(C#N)C1 1540904649 OFRIDDMJPRDYHB-FQEVSTJZSA-N 414.535 1.995 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC[C@H]1c1cnn(C)c1 1540907448 XGQVLRSFANCMJV-KRWDZBQOSA-N 404.540 1.906 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCCN2C(=O)CCC2=O)C1 1543771206 SLHGUINLDNDGPL-UHFFFAOYSA-N 405.252 1.022 30 10 HDEE COCC(=O)NC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1544147465 GOVBMPQFZBMISC-AWEZNQCLSA-N 418.881 1.318 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@@]2(CCOC2)C1 1554608560 SVNQVOHLMYKCDG-IERDGZPVSA-N 413.478 1.759 30 10 HDEE COc1ccc(Cn2c(CN3CCCC3=O)nnc2N2CCC[C@](C)(C#N)C2)cn1 1554947160 FAJCHYKTASGRRG-OAQYLSRUSA-N 409.494 1.982 30 10 HDEE CC(C)(C)OC(=O)N1CC(n2cc(C(=O)NCc3ccc(C(=O)NO)cc3)nn2)C1 1556381724 DXXIVMTWXBETJP-UHFFFAOYSA-N 416.438 1.119 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCCN3CCO)CC2=O)cc1Cl 1556714868 SKAIRMMAVBVSFN-RDJZCZTQSA-N 404.898 1.528 30 10 HDEE C=C[C@H](CO)NC(=O)CCc1nc2cc(S(=O)(=O)N(CC)CC)ccc2n1C 1557622063 LQPIILUPGVMZIR-CQSZACIVSA-N 408.524 1.200 30 10 HDEE Cn1nccc1[C@@H](NC[C@@H](O)COc1ccc(CC#N)cc1)C(=O)OC(C)(C)C 1559964244 PMKDVKRUQCAXHA-VQIMIIECSA-N 400.479 1.898 30 10 HDEE C#CC1(NC(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CCCC1 1563781649 JKPRRWWMRWBAIK-KRWDZBQOSA-N 405.520 1.889 30 10 HDEE C#CCN(Cc1ccccc1)C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 1565001529 ABTYWLRKOVEDLG-IBGZPJMESA-N 406.552 1.786 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](c2ccc(OC)cc2)C2CCC2)CC1 1565425706 NXHPDIPIUCRQCX-LJQANCHMSA-N 420.535 1.331 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)CC1 1568701088 DZCPVFUIRXOGQW-KRWDZBQOSA-N 408.543 1.210 30 10 HDEE CC#CC[C@H](CO)NC(=O)c1ccc2c(c1)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N2 1583661264 BLMUIMIFKHODCX-SJLPKXTDSA-N 415.490 1.969 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1Cc1ccc(C(N)=O)nc1 1587651685 PYCBPQANJYEFGD-HNNXBMFYSA-N 414.473 1.517 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1CC[C@@](C)(O)c1ccccc1 1588158422 ASCORIGLVNIDQG-HSZRJFAPSA-N 405.502 1.771 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1588265596 DUIOWRNSYAMQTF-ZDUSSCGKSA-N 407.496 1.110 30 10 HDEE C#CCN(CC)c1nnc(COc2ccccc2OC)n1CC1(S(C)(=O)=O)CC1 1588452127 MZDASALACRGWSU-UHFFFAOYSA-N 418.519 1.902 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC(CC)(CC)OC)CC1 1588876961 PHNWHTZOMJPFBM-OALUTQOASA-N 419.570 1.963 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@](C)(O)c1ccco1 1589150508 GQMSQMFWHDVTKB-KYNGSXCRSA-N 421.523 1.381 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1593625453 YMQHSMFBZQAHBT-ZDUSSCGKSA-N 422.511 1.052 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1 1594753184 ZOBSMRWIGFVBLA-INIZCTEOSA-N 424.571 1.132 30 10 HDEE C=CCN(CCOC)c1nnc(Cc2ccc(F)cc2)n1CC(=O)N1CCOCC1 1595303082 LYHCFVXGLRBHSW-UHFFFAOYSA-N 417.485 1.506 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)(C)C)c2)CC1 1596609793 HDMYIWDFEASPPU-UHFFFAOYSA-N 407.536 1.599 30 10 HDEE CC(C)(C)OC(=O)NCCOCC(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1596977999 KZNUGNJEZIVDDE-INIZCTEOSA-N 403.483 1.897 30 10 HDEE CCOC(=O)c1c(NC(=O)[C@H]2CCC(=O)N(c3cnn(C)c3)C2)c(C#N)cn1CC 1597857348 QYTCDURITPVWLU-ZDUSSCGKSA-N 412.450 1.672 30 10 HDEE CC(C)CC(=O)N[C@H](C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)c1ccccc1 1607488048 FDGJFUPURQHVQK-SFHVURJKSA-N 409.446 1.107 30 10 HDEE C[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)N(C)C 1611511148 KQUPYMSPAXYHNC-YCRPNKLZSA-N 409.494 1.798 30 10 HDEE Cc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1612613787 YOPANVQYFYNLIU-PNBGARPFSA-N 422.489 1.561 30 10 HDEE CCN1CCC[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCN(C)C(=O)C1 1615807064 BTEGYJFMPMYJIT-GOSISDBHSA-N 423.521 1.491 30 10 HDEE C#CCCN1CCN(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1 1616966121 WBMVDBUXQVZFDD-UHFFFAOYSA-N 418.563 1.441 30 10 HDEE CN(C)C(=O)CN(CC(F)(F)F)C(=O)CN1CCO[C@H](c2ccc(C#N)cc2)C1 1620624113 PASQPUXCSWGGPG-INIZCTEOSA-N 412.412 1.411 30 10 HDEE C#CC1(NS(=O)(=O)C[C@@H]2CN(C(=O)OCc3ccccc3)CCO2)CCCC1 1622494606 JIUUSCLCLMFOMC-SFHVURJKSA-N 406.504 1.889 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(N3CCCCC3)cc2)CC1 1622711836 GTJSKUUDJTVMLI-UHFFFAOYSA-N 405.524 1.294 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCN2C(=O)c3ccccc3C2=O)c1 1626762668 YAIXTTVKMWCORV-UHFFFAOYSA-N 410.451 1.510 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1 1627429138 REUZODQOCLUAJJ-XIKOKIGWSA-N 414.443 1.089 30 10 HDEE N#Cc1cn(CCC(=O)NCCc2ccc(Br)cc2F)c(=O)nc1O 1627607162 CWGQDFKKOKFOKW-UHFFFAOYSA-N 409.215 1.471 30 10 HDEE CS(=O)(=O)N1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 1630986793 FVFBVIWTFOGYHU-UONOGXRCSA-N 424.910 1.105 30 10 HDEE N#CC1(CC(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCOCC1 1632399326 QVTPJCFBRFQABN-GOSISDBHSA-N 404.898 1.721 30 10 HDEE C#CC1(F)CN(C(=O)CCc2nc3c(c(O)nc(=O)n3CCCC)n2CC(C)C)C1 1633366042 VPGXIPWAPAHGCY-UHFFFAOYSA-N 417.485 1.871 30 10 HDEE COCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12 1633865176 ABKKKDBLPZZBMS-GYFISPQKSA-N 414.506 1.900 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)Nc2nc(C(=O)OCC)c(C)s2)cc1 1635103889 YZVZXJLNVJNJCB-UHFFFAOYSA-N 407.473 1.792 30 10 HDEE COC(=O)c1oc(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1C 1635150700 YHFMLYDIJBETME-LBPRGKRZSA-N 419.459 1.508 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCc1ccc(O)c2ncccc12 1635457552 AHRJGVFWKDEOPP-CYBMUJFWSA-N 410.455 1.795 30 10 HDEE C=CC1(CC(=O)NC2CCN([C@@H]3CCN(C)C3=O)CC2)CN(C(=O)OC(C)(C)C)C1 1636133218 YIDMJVMRWXLHDV-QGZVFWFLSA-N 420.554 1.611 30 10 HDEE Cc1nn(C)cc1C1=NO[C@H](C(=O)Nc2ccc(N3CCC(O)CC3)c(C#N)c2)C1 1636142674 RRPSUCJTMYWTPT-FQEVSTJZSA-N 408.462 1.693 30 10 HDEE CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(C(=O)[C@@]3(C#N)CCCOC3)C2)nn1 1638482630 PNHURMARAXCMOI-OXJNMPFZSA-N 418.498 1.787 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(NS(=O)(=O)NC)CC1 1639910031 QQSCJGJBNGRRLS-HNNXBMFYSA-N 418.560 1.281 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCS(=O)(=O)C[C@H]3C3CC3)ccc2c1=O 1641131326 HSWJKSSYRQNCMI-INIZCTEOSA-N 419.528 1.520 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 1642106090 WMVQKRGBEZQYKI-INIZCTEOSA-N 408.418 1.806 30 10 HDEE Cc1ccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1S(=O)(=O)NCC#N 1643772377 JZQSWALMLNJHSU-WMZOPIPTSA-N 421.519 1.237 30 10 HDEE CCN(CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)[C@H]1CCN(CC(F)(F)F)C1 1643996353 VMMVLZZRINKTQZ-IRXDYDNUSA-N 403.493 1.637 30 10 HDEE N#Cc1ccc(Oc2cccc(C(=O)N3CCS(=O)(=O)C[C@@H]3CCO)c2)cc1 1645037062 DRMGMRAHGBLQDG-KRWDZBQOSA-N 400.456 1.972 30 10 HDEE C#CCN(C(=O)CCc1nc(N(C)C)no1)C1CCN(C(=O)OC(C)(C)C)CC1 1645455159 ZBTCCDFFYIMHLK-UHFFFAOYSA-N 405.499 1.930 30 10 HDEE CN(CCN1CCN(Cc2ccccc2)CC1)C[C@H](O)CC1(C#N)CCOCC1 1645599858 XFFURQQCMJMBBV-JOCHJYFZSA-N 400.567 1.807 30 10 HDEE Cn1c(=O)[nH]c(N2CCN(C(=O)c3c(Cl)cccc3Cl)CC2)c(C#N)c1=O 1650660732 ARNHMNCSNUKXPN-UHFFFAOYSA-N 408.245 1.214 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2Cc3nc(C4CC4)nc(O)c3C2)s1 1651279675 JKKRHFQOHIUWAA-UHFFFAOYSA-N 420.516 1.670 30 10 HDEE C#CCNC(=O)C1CCN(S(=O)(=O)c2cc(Br)ccc2C#N)CC1 1655103021 KNICNWHFLGOJSP-UHFFFAOYSA-N 410.293 1.471 30 10 HDEE C=CCN1CC[C@H](N(C)S(=O)(=O)c2cc(C(=O)OC)cc(C(F)(F)F)c2)C1=O 1663628341 YEIBHJXMJVINEZ-AWEZNQCLSA-N 420.409 1.899 30 10 HDEE C#CCCN1CCN(S(=O)(=O)c2cnc3c(c2)c(C)nn3C2CCOCC2)CC1 1666721202 BAXAYIJAWQHTMR-UHFFFAOYSA-N 417.535 1.421 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)(F)F)C(=O)OC 1670893646 KGPNEYGUIIHTQD-SNVBAGLBSA-N 415.411 1.766 30 10 HDEE C#C[C@H]1COCCN1C(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 1672711701 WFCNCPFFABOQBH-INIZCTEOSA-N 409.508 1.982 30 10 HDEE C=CC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 1674098310 AMSCCEHFUZYTJC-GOSISDBHSA-N 421.567 1.531 30 10 HDEE C#CCN1CCC(NC(=O)NCCCNC(=O)c2cccc(Br)c2)CC1 1678294546 RLNNNUPKTGUCNI-UHFFFAOYSA-N 421.339 1.966 30 10 HDEE C#C[C@@H](NC(=O)NCc1cccc(S(=O)(=O)NCCOC)c1)c1ccccc1 1679187082 ZDTZDYAEHBMUGA-LJQANCHMSA-N 401.488 1.785 30 10 HDEE CC(C)(CC#N)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 1683045756 GEEQITCCTMCMFW-UHFFFAOYSA-N 409.468 1.551 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCO[C@@H]1C 1690097062 AJXDHCHJUYRVQC-KUHUBIRLSA-N 405.886 1.619 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C(CC)CC)N(C)C)CC1 1690122697 ZVBAXHSNBBLVQA-RBUKOAKNSA-N 415.586 1.351 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(O)(CC)CC)CC1 1690142972 YRWKKNPJPIUSJV-UHFFFAOYSA-N 412.538 1.801 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CCc2c(ccnc2O)C1 1690316271 BUCMGLRGRWJRHN-UHFFFAOYSA-N 412.494 1.657 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3cccnc3)n2C[C@]2(O)CCSC2)C1 1690710320 QSGWHPCNPJLAKL-FXAWDEMLSA-N 401.536 1.913 30 10 HDEE Cc1cc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)n(C)n1 1693405329 IVOSGPFWELKKBT-WOJBJXKFSA-N 417.489 1.851 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1693860803 QLXRRCPLGGZCQR-CQSZACIVSA-N 420.564 1.698 30 10 HDEE CN(OC1CCCC1)c1nnc([C@H]2CCCO2)n1CCN/C(O)=C1\N=CC=CC1=O 1696847781 FLHIBIKITPRJHP-GWOGKKTRSA-N 416.482 1.966 30 10 HDEE COc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)cc1 1697483196 ACPAOLJXDGVVJH-CQSZACIVSA-N 422.445 1.690 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccn3)n2CCOCC(F)F)CCN1C1CC1 1698493436 LWMVMSRTASNFJN-OAHLLOKOSA-N 403.437 1.798 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H]1CSCCS1)[C@H]1CCS(=O)(=O)C1 1705570079 KBCXWODGLOQQMF-KBPBESRZSA-N 400.595 1.316 30 10 HDEE C#CCSCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](OCC=C)C1 1705662336 WHGMRFDYXNEUTH-JKSUJKDBSA-N 410.565 1.328 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC(C)(C)C(=O)NCC 1705667568 WGHZGVSRKPYCJW-AUUYWEPGSA-N 424.571 1.043 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1705756950 UGRFRAHYRXNWHW-HZPDHXFCSA-N 420.897 1.990 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(C)C)CC1 1705927784 GKRAPDRCHVCWAQ-UHFFFAOYSA-N 423.583 1.987 30 10 HDEE C[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C1 1708112793 GCGLKCSZVRTDSJ-WBVHZDCISA-N 414.535 1.944 30 10 HDEE CCOCc1nnc(N2CCO[C@@H](C#N)C2)n1CCN(CC)CCC(F)(F)F 1710744376 CBXNNOKFUMEBJH-AWEZNQCLSA-N 404.437 1.818 30 10 HDEE CO[C@@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCCN(C(C)=O)CC1 1711520768 CVOMRNUKWXTOTM-INIZCTEOSA-N 412.494 1.822 30 10 HDEE COc1ccc(-c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H]2COCCO2)cc1OC 1711731930 AVYNRWUUMNHVJF-GDBMZVCRSA-N 401.467 1.974 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2CCN2CCCC2)c1 1712878070 DKQHQHRDXJRYIH-UHFFFAOYSA-N 423.521 1.383 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(F)cc2F)CCO1 1712883990 DHVDYPDTNSPLAN-ZFWWWQNUSA-N 423.445 1.235 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CCC(=O)NCCC 1722342294 NOLGDWHBZUDKQO-UHFFFAOYSA-N 416.913 1.847 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H](CC)N1CCCC1)[C@@H]1CCS(=O)(=O)C1 1722365249 DFAAPKDIMGUQPM-RTBURBONSA-N 421.611 1.978 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1Cc1ccn(C)n1 1722379272 NMUUTFHABJZKBH-UHFFFAOYSA-N 422.518 1.093 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1722446020 JOOXAMIZMLCLCD-QGZVFWFLSA-N 423.521 1.154 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)O[C@H](COC)C1 1722554616 FOASUXLODQVJIX-MJBXVCDLSA-N 404.920 1.173 30 10 HDEE C=CCCOCCn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1722627075 RTSNEFJECMKMEO-QGZVFWFLSA-N 411.510 1.973 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@H]1C[C@H](F)C1 1722680870 BWMSFVHCGNKALR-BZUAXINKSA-N 400.520 1.957 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)[C@@H]1CCC[C@@H](C)C1 1722690030 CZIILSPEPMNTRN-QLFBSQMISA-N 412.560 1.205 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)cc1 1722706762 YFNQSAKXMAXJEV-DOTOQJQBSA-N 410.478 1.154 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)C1 1722714128 LABONIXYQZWLRJ-QZTJIDSGSA-N 402.543 1.885 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCc2nc(C)no2)C1 1722714661 OAHAUSHOUXHZGR-CABCVRRESA-N 401.471 1.335 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1C[C@@H](C)O[C@]2(CCOC2)C1 1722737443 GVDFTEINQHBFMQ-DNVCBOLYSA-N 404.540 1.982 30 10 HDEE CC(C)CCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1723416689 HAEIFKAPPJMXCR-MSOLQXFVSA-N 415.542 1.468 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@H]2COCCO2)CCOC1 1723679963 WSRUDPAHMBUTDH-RXVVDRJESA-N 419.526 1.864 30 10 HDEE CC(C)Oc1ccccc1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1723695707 GXASREKKSILWGT-GOSISDBHSA-N 424.505 1.965 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1729352094 PXFLPYOOYRPQGT-QGZVFWFLSA-N 403.508 1.603 30 10 HDEE COCC(=O)NC1CCN(c2nnc(C(C)(C)C)n2Cc2ccc(C#N)o2)CC1 1730421732 GCCSKQISUYROOY-UHFFFAOYSA-N 400.483 1.820 30 10 HDEE CS(=O)(=O)[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCCCO)C1 1730999209 UEDAUFHOIVLKGC-KRWDZBQOSA-N 403.508 1.603 30 10 HDEE CC(C)(C)C#CC(=O)N[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1734642961 XCDXHRQLDGZRFP-JBCKWKTNSA-N 414.546 1.972 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1Cc1ccccc1N1CCOCC1 1740673682 CJAGMVJCDDRPEV-UHFFFAOYSA-N 422.533 1.745 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)C(C)C)CC1 1740698569 XNXVDXIWJSREJT-FQEVSTJZSA-N 402.568 1.796 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2Cc3ccccc3O2)CC1 1740707886 UJMXNVVNOCOGIU-LJQANCHMSA-N 423.517 1.784 30 10 HDEE C#CCSCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCOC[C@@H]1C 1740711842 SRHSWZLIILMWKW-HNNXBMFYSA-N 420.560 1.940 30 10 HDEE C=C(C)COCCn1c(Cc2cccnc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1740793729 LJCNPNAFBLZSJU-SFHVURJKSA-N 419.551 1.870 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)OCO2)C1CC1 1740907383 XCAVIKJMXZUQNC-ZDUSSCGKSA-N 419.507 1.820 30 10 HDEE C=CCN(c1nnc(-c2nn(CC)c(=O)c3ccccc23)n1CCC(=O)NC)C1CC1 1740909281 FJVMPLNCKURSBO-UHFFFAOYSA-N 421.505 1.966 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(=O)N(C)[C@H](C)C2)nnc1C1(c2ccccc2)CCC1 1740966288 XFDQPHGZOCPGEX-QGZVFWFLSA-N 422.533 1.717 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C2CC2)C1 1740995009 XGUFJHPFKNOMPO-INIZCTEOSA-N 407.540 1.238 30 10 HDEE CCc1nc(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@@H](C#N)C2)cs1 1744488013 GUOJBWFRNKADNA-AWEZNQCLSA-N 424.490 1.721 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(C#N)cc1 1748732380 ZIOHWEFMGLVLMN-HNNXBMFYSA-N 400.508 1.810 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1C[C@@](C)(O)CC 1748771838 OTVIGTLDOBMZIG-IBGZPJMESA-N 404.540 1.777 30 10 HDEE COc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCO[C@@H](C#N)C2)cc1OC 1748781252 CCTDEFQFNHBXSY-HNNXBMFYSA-N 414.466 1.211 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1749045372 ZJNRQPIGZLOQMX-ZDUSSCGKSA-N 404.565 1.667 30 10 HDEE C=C(C)COCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCOCC1 1749223233 RVBAAQXTACLWPV-UHFFFAOYSA-N 420.539 1.668 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1749235582 UXHRRNXGMGCXCU-IAGOWNOFSA-N 407.515 1.233 30 10 HDEE C=CCNC(=O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1749653042 VDNBMSORKGRKLF-KBPBESRZSA-N 416.457 1.171 30 10 HDEE CSCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1750312529 WSQQEXNGQCGBER-KRWDZBQOSA-N 417.583 1.834 30 10 HDEE CC(C)C(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1750568789 DGGIJAGSCDGEOD-SFHVURJKSA-N 421.505 1.400 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2)n1Cc1cn(C2COC2)nn1 1760198589 LNADDRSWIHXKMD-UHFFFAOYSA-N 407.865 1.882 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1760234586 YQXQCSOMHWRBOM-QGZVFWFLSA-N 405.568 1.514 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCc2csc(CC)n2)CC1 1760259303 KBBXYUVQTAGEIN-MRXNPFEDSA-N 400.552 1.799 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2noc3c2COCC3)n1CC(=O)NCC1CC1 1760334498 CKCNQNRAFLUDGS-UHFFFAOYSA-N 400.483 1.934 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCN1CCCC1 1760457114 HBSYUIWRAKAMIZ-UHFFFAOYSA-N 418.567 1.913 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(C2CC2)n1CCS(=O)(=O)NC 1760479127 FCZFNAAQTKXYSQ-UHFFFAOYSA-N 400.508 1.769 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@H]2CCCCO2)C1 1760543058 MMEQSXGUFXKWBJ-KZNAEPCWSA-N 424.567 1.921 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCOC[C@H]1OC 1769843240 CJYKDKFPHFVWOD-NVXWUHKLSA-N 403.487 1.097 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1C[C@@]1(C)COCCO1 1770201918 HHUNNHZBWRKIBU-STEAMIEHSA-N 409.462 1.250 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@H]3CCCOC3)nnc2N2CCO[C@H](C#N)C2)CCCC1 1771343126 NPTTYIFMTLNIAV-JKSUJKDBSA-N 423.539 1.258 30 10 HDEE COc1ccc2sc(N3CC(C(=O)NCC#CCN4CCOCC4)C3)nc2c1 1850342297 VTNLUGVZZZFPNQ-UHFFFAOYSA-N 400.504 1.193 30 10 HDEE COc1ccc(CN2CCC(OC(=O)Cn3c(C)c(C#N)c(O)nc3=O)CC2)cc1 1851853560 XIBUPRVCGZGMRV-UHFFFAOYSA-N 412.446 1.345 30 10 HDEE Cc1nn(-c2ccccc2)nc1C(=O)OCCN1CCN(c2ccc(C#N)cn2)CC1 1851875047 IXWIYRSWEZIGQW-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1 1853544915 IJCICJFZPSPMKO-UHFFFAOYSA-N 424.427 1.815 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)Cc3cccc(F)c3)CC2=O)c1 1853935772 OYGJXOPSSGFOBZ-UHFFFAOYSA-N 401.419 1.512 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2cncc(OC)c2C)C1=O 1854189143 GNGURZJUDMIKAK-MSOLQXFVSA-N 414.506 1.639 30 10 HDEE N#C[C@H]1CC12CCN([C@@H]1CCCN(C(=O)COc3cncc(Cl)n3)C1=O)CC2 1855010579 QMCLPTXROOZHDO-ZIAGYGMSSA-N 403.870 1.652 30 10 HDEE COc1cccc(S(=O)(=O)N2CCC([C@@H]3CC(=O)N(C(=O)CC#N)C3)CC2)c1 1855647043 LDGCPVLZTKNYJL-OAHLLOKOSA-N 405.476 1.385 30 10 HDEE Cc1ccc(=O)n([C@H](C)C(=O)N2CCN(Cc3ccc(C#N)cc3)C(C)(C)C2=O)n1 1857167473 VGNWWQNIKRAVSA-MRXNPFEDSA-N 407.474 1.634 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCN(C(=O)CN3C(=O)c4ccccc4C3=O)C2)cc1 1858374492 GGUGOJRVJPCQFT-HNNXBMFYSA-N 402.410 1.641 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C(=O)NC[C@@H]2CCCO2)c(C(=O)OCC)c1C 1860760819 DKLYLGQUKPHFHQ-LBPRGKRZSA-N 424.475 1.810 30 10 HDEE C=CCNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC(=O)N(c2ccc(C(=O)OCC)cc2)C1 1861608470 CWBIERVCNKDFJJ-WMZOPIPTSA-N 413.474 1.509 30 10 HDEE N#CCCN(CC(=O)O)C(=O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 1866340662 GEBUADAGGKKMMB-SFHVURJKSA-N 405.410 1.721 30 10 HDEE O=C(NCCc1cnc[nH]1)[C@@H](Cc1ccccc1)N=C1NS(=O)(=O)c2ccccc21 1869931763 HGVAXAGTWOQYSJ-GOSISDBHSA-N 423.498 1.418 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OC)cn1Cc1ccc(S(N)(=O)=O)cc1 1870554700 FFXGEOSYHKWLTB-UHFFFAOYSA-N 403.504 1.727 30 10 HDEE COc1cc(Br)cc(/C=N/n2c(CNC(C)=O)nnc2SC)c1O 1874429913 IMZZCFSBHLRVRD-UBKPWBPPSA-N 414.285 1.995 30 10 HDEE COC(=O)CSc1nnc([C@H]2CCCO2)n1/N=C/c1cc(OC)c(O)c(OC)c1 1874448702 JWKOCTHZCQVUAK-DKSCHZSNSA-N 422.463 2.000 30 10 HDEE CC(=O)Nc1ccn2ncc(C(=O)N3CCC(COc4nccnc4C#N)CC3)c2c1 1891569956 XXKJMPWLZFPUEY-UHFFFAOYSA-N 419.445 1.886 30 10 HDEE Cc1nn(C)c2ncc(S(=O)(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)cc12 1891728906 QEHKUSNYNYETES-ZDUSSCGKSA-N 413.463 1.171 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2[C@H](B3OC(C)(C)C(C)(C)O3)[C@H]2C1 1908254979 YNUKKVZTUOLWHF-SFDCQRBFSA-N 423.319 1.306 30 10 HDEE N#Cc1ccc(S(=O)(=O)NC[C@H]2CN(C(=O)OCc3ccccc3)CCO2)s1 2054405594 MRZWUVHNVVTGSR-HNNXBMFYSA-N 421.500 1.936 30 10 HDEE C#CCNC(=O)[C@@H](C)[S@@](=O)C(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)O 2074690562 KYLPITKUDKYJGI-ZUUYNELLSA-N 408.476 1.031 30 10 HDEE Cc1ncc(S(=O)(=O)N=[S@](C)(=O)CCNC(=O)OC(C)(C)C)cc1C#N 2118166091 CAKJOISZALXSDT-RUZDIDTESA-N 402.498 1.573 30 10 HDEE CC(C)(C)OC(=O)N1CC(C[S@](C)(=O)=NS(=O)(=O)N2CCC(C#N)CC2)C1 2174782382 PVRPHNCERUJQHQ-SANMLTNESA-N 420.557 1.431 30 10 HDEE CO[C@H](C)CCS(=O)(=O)N[C@@H](C)c1nscc1B1OC(C)(C)C(C)(C)O1 2186626676 DLYQTVZICSEHDJ-NEPJUHHUSA-N 404.363 1.848 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)c(CNS(=O)(=O)N2CCOCC2)s1 2237724330 KDINUTHXPHTECL-UHFFFAOYSA-N 402.347 1.022 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)C#CB2OC(C)(C)C(C)(C)O2)[C@@](C)(CO)C1 2243429320 ATOPRSLMDPMOMR-HXUWFJFHSA-N 408.304 1.452 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247812879 SMKDMQGCMWRRDA-CQSZACIVSA-N 420.315 1.601 30 10 HDEE CN(C)C(=O)CN(Cc1ccccc1)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)n[nH]1 2247916872 GFZAXAUQCNGCGO-UHFFFAOYSA-N 412.299 1.440 30 10 HDEE C#C[C@H](NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)OC)C(C)(C)C 2258179128 IBBUZYWMQFHRIT-CVEARBPZSA-N 410.492 1.422 30 10 HDEE C[C@@H]1CC[C@H](CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)N1C 2282331545 OWUWBJHAINDIKA-TZMCWYRMSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H](N)CC(F)(F)F)s2)OC1(C)C 2282344813 DLKLRRGTRQSEJB-SECBINFHSA-N 414.280 1.605 30 10 HDEE C=C(CS(=O)(=O)N1CCN(CP(C)(C)=O)CC1)B1OC(C)(C)C(C)(C)O1 2282501661 ZZUUUWWEDSKWHP-UHFFFAOYSA-N 406.294 1.702 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N3CC([N+](=O)[O-])C3)ccc2Cl)OC1(C)C 2282502868 QTMADCFQFFCUHI-UHFFFAOYSA-N 402.665 1.289 30 10 HDEE C[C@H](CCNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282512049 QRQTXAHIHZYUEZ-YDBLSZJJSA-N 421.415 1.624 30 10 HDEE CC(C)(CNC(=O)c1ccsc1B1OC(C)(C)C(C)(C)O1)CS(C)(=O)=O 2282518378 XFPJUPBVPAYPRY-UHFFFAOYSA-N 401.359 1.848 30 10 HDEE C[C@H]1CN(C(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H](CO)O1 2282639928 GVUUQISWNCNLRY-WDEREUQCSA-N 401.721 1.923 30 10 HDEE C[C@H]1CCOC[C@H]1NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282827765 CYVWCFKQEQGISI-GXTWGEPZSA-N 401.359 1.892 30 10 HDEE CCN(C1CNC1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282828103 ITHIUBCMQMSTCB-UHFFFAOYSA-N 400.737 1.622 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1C[C@@H](C)[C@H](CN)C1 2282834170 QECGFAONYRNVER-DGCLKSJQSA-N 400.375 1.571 30 10 HDEE Cc1nc(S(=O)(=O)N[C@H]2CCS[C@H]2C)c(B2OC(C)(C)C(C)(C)O2)n1C 2282870587 VADDEOCUOYGRQV-JQWIXIFHSA-N 401.363 1.200 30 10 HDEE C[C@H]1COC[C@@H](C)N1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880587 KXDXPFHSSNMLCP-BETUJISGSA-N 401.359 1.986 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2C[C@@H]2C(=O)O)sc1B1OC(C)(C)C(C)(C)O1 2284411359 JGEVSFZSKJCPSK-MNOVXSKESA-N 401.315 1.355 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N2CC[C@H]1C2 2303282137 ARLNVLUVBAFWPG-JKSUJKDBSA-N 419.331 1.431 30 10 HDEE CN[C@H](C#CC1(SC)CCC1)[C@@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336253132 KULNYWCCLUYQEQ-RDTXWAMCSA-N 402.582 1.946 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](F)C2=O)c1B1OC(C)(C)C(C)(C)O1 2365717525 IKKGVVSKNVIYRE-LLVKDONJSA-N 403.306 1.923 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@](C)(O)CCCCNC(=O)OC(C)(C)C 2367819396 SKAGCDUQXUJNAE-QAPCUYQASA-N 402.557 1.601 30 10 HDEE CN[C@H](C#C[C@H](OC)C1CCCC1)[C@@H](CS(C)(=O)=O)NC(=O)OC(C)(C)C 2369575934 QNESHUVEZRCGRH-ZACQAIPSSA-N 402.557 1.721 30 10 HDEE CC(=O)Nc1cccc(OCC#CCNC(=O)CCn2cnc3ccccc3c2=O)c1 90731935 FFAPNWRLPAHVFM-UHFFFAOYSA-N 418.453 1.944 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCC#CCOc2ccccc2C(N)=O)cc1 90743951 GVFLPSMODBUJPA-UHFFFAOYSA-N 401.444 1.105 30 10 HDEE COc1cc(CNC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)ccc1C#N 427142927 GQSFIFHSLJCDGV-KUHUBIRLSA-N 417.487 1.219 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC1 431669575 IFLAUPCYVJEEBE-TZIWHRDSSA-N 413.566 1.669 30 10 HDEE C[C@@H]1CN(C(=O)Nc2ccn(-c3ccc(Cl)cc3C#N)n2)CCS(=O)(=O)C1 433088134 CDYBYBUKASUURH-GFCCVEGCSA-N 407.883 2.296 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H](C)C(=O)Nc1oc(C)c(C)c1C#N 441226463 FRXSEDXKPIUJSA-VWOPQJGGSA-N 403.435 1.520 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCn3c(O)nnc3C2)n(Cc2ccccc2)c1C 460385026 KMDITKCIFBYRSS-UHFFFAOYSA-N 405.462 1.776 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@@H]1C 460580530 WXCAKRKYBSCSSX-DOTOQJQBSA-N 410.482 1.319 30 10 HDEE COc1cc(C#N)ccc1S(=O)(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 463707447 WEMHIEICMVDYBA-UHFFFAOYSA-N 421.425 1.992 30 10 HDEE Cc1nc(O)c(C#N)c(C)c1CCC(=O)N(CC(=O)N1CCCC1)C[C@H]1CCCO1 477765140 AVCSGLUOMAEJCN-QGZVFWFLSA-N 414.506 1.838 30 10 HDEE N#CC1(NC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)CCN(Cc2ccccc2)CC1 479271397 GANXZNOWOURIHY-RTBURBONSA-N 408.502 1.836 30 10 HDEE CN1[C@H]2CC[C@H]1CC(N1CCN(S(=O)(=O)Cc3ccc(C#N)cc3F)CC1)C2 480729576 NRQPZPTUDAUJNO-ROUUACIJSA-N 406.527 1.770 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2F)CC1 488915995 IIPUBJBHFVDCHB-UHFFFAOYSA-N 409.405 1.453 30 10 HDEE Cc1ncc(S(=O)(=O)NC[C@H](c2cccc(F)c2)N2CCOCC2)cc1C#N 489117893 RJQQWSVSROGWEI-LJQANCHMSA-N 404.467 1.753 30 10 HDEE C=CCNC(=O)CN1CCN(c2ccc(C(=O)N3CCc4ccccc43)cn2)CC1 505759565 BLNSQRVSDWEIMR-UHFFFAOYSA-N 405.502 1.709 30 10 HDEE CCOC(=O)c1csc(C2CCN(S(=O)(=O)N(C)[C@@H](C)CC#N)CC2)n1 509256130 RQDHXYDFNKPHKR-LBPRGKRZSA-N 400.526 1.978 30 10 HDEE COc1cccc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(Cc3ccon3)c2=O)c1 531684754 IJSWGKVRACRPPK-UHFFFAOYSA-N 421.478 1.827 30 10 HDEE CN(C)CCOc1cccc(CNC(=O)N2CCN(c3cccc(C#N)n3)CC2)c1 546877722 VCXIGHSXQRPZAK-UHFFFAOYSA-N 408.506 1.925 30 10 HDEE CCOc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H]1CCC2(CCOCC2)[C@H]1O 549790278 SFPNWECWWZARFJ-QAPCUYQASA-N 401.463 1.579 30 10 HDEE CN([C@H]1CCc2nn(CC3CC3)c(=O)n2CC1)S(=O)(=O)c1ccc(C#N)cc1 575545852 QZAPUBFRNRSEKW-INIZCTEOSA-N 401.492 1.352 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCc3ccc(C#N)cc3F)C2=O)cc1 586858540 BBDCZSVQIBIULX-LJQANCHMSA-N 419.416 1.497 30 10 HDEE COc1ccc(OC)c(CN(CCO)C(=O)C(=O)NCc2ccc(C#N)cc2F)c1 586862969 GBJCTVKJFMCINA-UHFFFAOYSA-N 415.421 1.352 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccccc1C#N 604002437 VIUIMBSFZOILJX-UHFFFAOYSA-N 422.416 1.298 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)ccc2F)c(=O)n1C[C@@H]1CCCO1 611078430 CBWYJHZMDOQYLF-ZDUSSCGKSA-N 421.881 1.130 30 10 HDEE COc1cc(S(=O)(=O)NCc2sccc2B2OC(C)(C)C(C)(C)O2)sn1 717671598 JLIQAOBQOHLZDL-UHFFFAOYSA-N 416.355 1.991 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc3c(Br)cccc3[nH]2)CC1 728530391 BWTAVUNBNMBAQQ-UHFFFAOYSA-N 403.280 1.438 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCN(C(=O)c2ccc(F)c(F)c2)CC1 733891962 XFXWQZFSQNRUCX-VHEBQXMUSA-N 418.400 1.166 30 10 HDEE CNC(=O)COc1ccc(C(=O)NS(=O)(=O)c2cc(C#N)ccc2C)cc1OC 734293764 LVXWFYCBBDVZED-UHFFFAOYSA-N 417.443 1.119 30 10 HDEE CC(C)N1C(=O)CN(C(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1(C)C 742820404 YNIVIYIRPHKTAN-CQSZACIVSA-N 420.535 1.362 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C#N 747497423 AIFJGUPHNIRESE-UHFFFAOYSA-N 416.459 1.072 30 10 HDEE C#Cc1cccc(N=C2S[C@@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CCOC2)c1 751686973 KWJORSRJFJDMSQ-ROUUACIJSA-N 414.531 1.456 30 10 HDEE Cc1c(C(=O)O[C@H]2CCN(c3sccc3C#N)C2=O)cccc1S(N)(=O)=O 754328709 BVVOOEFQGGSDSC-ZDUSSCGKSA-N 405.457 1.538 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](c2ccccc2)c2nc[nH]n2)ccc1F 756111230 ULGQDLKPMOZFCE-QGZVFWFLSA-N 415.450 1.928 30 10 HDEE COc1ccc(S(=O)(=O)N(C)C2(C#N)CCC2)c(NS(=O)(=O)C(F)F)c1 758409910 GHYYCCPCIIMVEC-UHFFFAOYSA-N 409.436 1.726 30 10 HDEE C#CCN(C(=O)Nc1ccc(N2CCN(C)CC2)cc1C)[C@@H]1CCS(=O)(=O)C1 773313549 HSWRFZMNJUBQQL-GOSISDBHSA-N 404.536 1.401 30 10 HDEE C#CCN(C(=O)NCCc1ccc(OCC(=O)OCC)cc1)[C@H]1CCS(=O)(=O)C1 774239073 AGZSCYCQZMOXAO-KRWDZBQOSA-N 422.503 1.003 30 10 HDEE COc1ccc(CNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)cc1C#N 774338484 RXCKMPABYIUZSQ-HNNXBMFYSA-N 420.425 1.027 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2Cl)CC1 779868810 CWZOGLUSMRZOAZ-UHFFFAOYSA-N 416.887 1.165 30 10 HDEE N#CCCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 784139271 XPKBHIHVPIHGRY-UHFFFAOYSA-N 416.297 1.504 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cc(Br)c(F)cc2F)CCN1C1CC1 786316780 ZMZGYHOWUZKAEF-SNVBAGLBSA-N 413.222 1.865 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccccc3OC)C2)n1 789087656 VGIRREBPIHEJBX-SFHVURJKSA-N 411.506 1.962 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)n1 789321069 RSTMTNXFRNUAFQ-FQEVSTJZSA-N 409.534 1.702 30 10 HDEE N#C[C@@H](C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nccc2ccccc12 792094004 LIINTBOSDWPIAL-GDBMZVCRSA-N 410.455 1.577 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(Br)cn1)[C@H]1CCS(=O)(=O)C1 793412906 LXWQECCKYSLNLD-AAEUAGOBSA-N 400.298 1.737 30 10 HDEE Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)[C@H](C)n3cnc(C#N)n3)C2=O)cc1 798352390 QRVBFQVIOGRUQG-GRRFOWRYSA-N 410.459 1.872 30 10 HDEE C=CCN1CC[C@@H](OC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)(F)F)C1=O 798637145 RBAITXYKLLYOBT-MRVPVSSYSA-N 415.290 1.857 30 10 HDEE C[C@@H](C(=O)OCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)n1cnc(C#N)n1 798740097 KRVOTXBQBUGOGV-AWEZNQCLSA-N 410.434 1.131 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)[C@H](CNS(=O)(=O)CC2(C#N)CCCCC2)C1 800958221 KODZBNIQOIAMMT-HUUCEWRRSA-N 401.529 1.608 30 10 HDEE COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(c2cccc(C#N)n2)CC1 802379420 LDOSIYMFQMDJLS-UHFFFAOYSA-N 421.509 1.379 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCOC1 802759611 OLRMUBUWGKSYCV-NUJGCVRESA-N 404.515 1.215 30 10 HDEE C#CCN(c1nnc(-c2nnc(O)c3ccccc23)n1CC)[C@@H]1CCS(=O)(=O)C1 812042611 IFMCOABAQWGQMU-CYBMUJFWSA-N 412.475 1.241 30 10 HDEE N#Cc1cncc(S(=O)(=O)NC(=O)Cn2c(-c3cscn3)nc3ccccc32)c1 813979705 ZJMYKZHQKGUBMZ-UHFFFAOYSA-N 424.467 1.932 30 10 HDEE CCc1ccc([C@H](C#N)N(C)C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)cc1 1129491275 DDYUSIIWEVHYDM-KRWDZBQOSA-N 405.458 1.840 30 10 HDEE C=CCCn1cc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2CC)nn1 1130676463 YQNCWWZLRVYMAQ-UHFFFAOYSA-N 419.507 1.690 30 10 HDEE C=C(Cl)C[C@H](NC(=O)c1c(I)cnn1C)C(=O)OCC 1132192819 RBDWDSXFLQDYNG-VIFPVBQESA-N 411.627 1.829 30 10 HDEE O=C(c1cccc(C#CCO)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 1135347619 KHSHUZMFLZHJMN-UHFFFAOYSA-N 402.447 1.316 30 10 HDEE C=CCCOCCNC(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1138032555 JQKUNXWNBVMJJU-PMPSAXMXSA-N 416.540 1.366 30 10 HDEE COc1ccc(Br)c(CN(C)C(=O)Cn2cc(C#N)c(O)nc2=O)c1 1138237241 GUYKBTAARLFHQM-UHFFFAOYSA-N 407.224 1.250 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CC(=O)N3CC[C@@](F)(C#N)C3)CS(=O)(=O)[C@H]2C1 1138251948 PALBLYQDYHVGDG-ZUMXRPEOSA-N 415.487 1.121 30 10 HDEE COC(=O)CN(CC#N)C(=O)c1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 1147600696 CADGNCURYGVOCP-UHFFFAOYSA-N 406.439 1.928 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 1152967365 GLWRCGCITXMODO-CYBMUJFWSA-N 403.426 1.421 30 10 HDEE CN(C)[C@H](CCNC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(F)(F)F 1154429917 VUXROPNUKQGKQC-CYBMUJFWSA-N 406.430 1.114 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)cn1 1157929172 XLBWMDAYTADPAG-WMZOPIPTSA-N 424.480 1.678 30 10 HDEE N#C[C@@H](C(=O)CSc1nnc(CCC(N)=O)n1C[C@@H]1CCCO1)c1ccccc1 1165471058 IAWUZSAFOVCZLP-JKSUJKDBSA-N 413.503 1.844 30 10 HDEE N#Cc1cc(S(=O)(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)ccc1Br 1188688167 DURWZYSUYTZENX-WFASDCNBSA-N 401.282 1.937 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCCC1 1212444758 DKGUGTKGWTYRNQ-UHFFFAOYSA-N 415.581 1.600 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(N3C(=O)CCC3=O)cc2)n1 1220409354 DOZIUWVPJXPUJT-UHFFFAOYSA-N 409.446 1.850 30 10 HDEE C#CCN(C(=O)NCCN1CCO[C@H](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1226044928 HLPWKEOCZDQIPU-QGZVFWFLSA-N 408.543 1.751 30 10 HDEE N#CC[C@@H](C(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1)c1ccccc1 1265300156 BFJVNAOOYJHXIF-LJQANCHMSA-N 405.520 1.773 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCOCC2)CC1 1286306899 YRBYQKQHCJJJTB-SQNIBIBYSA-N 403.527 1.325 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCS(=O)(=O)NC 1286366820 BZSVSHHYEQTFAB-UHFFFAOYSA-N 402.307 1.871 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1C[C@](C)(O)C(C)C)[C@H]1CCS(=O)(=O)C1 1286389056 XXSNDVBKNOAIHS-RXVVDRJESA-N 416.547 1.979 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CCC1CCOCC1)[C@H]1CCS(=O)(=O)C1 1286398150 GXJWWSVTEGCUQH-ZWKOTPCHSA-N 422.551 1.573 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1CC[C@H]1COCCO1 1286422320 KSPLGKGSHNZJPD-UGKGYDQZSA-N 416.522 1.587 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1286439913 IIPIOFYEIRWZNT-QGZVFWFLSA-N 412.519 1.558 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CSCCS1 1286446027 CFCZLOSEPZZDPP-UONOGXRCSA-N 400.595 1.488 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2C[C@@]2(C)COCCO2)CC1 1286490837 UDMRSRMLADOQGT-QFIPXVFZSA-N 415.538 1.707 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](OCc2ccccc2)C1 1286768957 IQOPWHABYBBFQL-NVXWUHKLSA-N 405.524 1.870 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](c2ccc(F)cc2)C1 1286785431 FJTYECVKFBEMNL-RDJZCZTQSA-N 412.469 1.664 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1O 1295048264 QZFQCUOGYWLHBV-SNVBAGLBSA-N 402.798 1.966 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)C1 1297026162 OBSDHGHHKGAQMM-OCCSQVGLSA-N 408.296 1.518 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)cn1 1297369872 NJFUIRPKCYKZRE-UHFFFAOYSA-N 401.473 1.058 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCO2)n1CCNS(=O)(=O)c1ccccc1 1300327483 CJXDRTRMSGGNKN-DOTOQJQBSA-N 403.508 1.566 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](OC)c1ccc(F)cc1 1300459884 XMVCVERKRBCNLZ-WBVHZDCISA-N 406.483 1.776 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1CC(=O)NC(C)C 1300673198 HMLKUJAYKDHLOO-UHFFFAOYSA-N 408.506 1.961 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CC(=O)NCCC)CC1 1300707133 BICFOYSHHCTXCZ-UHFFFAOYSA-N 424.549 1.755 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2C[C@@]2(C)CN(C3CC3)C2=O)CC1 1300711812 HTWSEICVJQYSID-JOCHJYFZSA-N 412.538 1.378 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCOCCOC 1300790881 ZEMGJWXWBREXNH-OAQYLSRUSA-N 422.493 1.576 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCS(=O)CC1 1300875777 QMAQTPUDLXRRIZ-DOTOQJQBSA-N 423.583 1.746 30 10 HDEE C=CCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(CC(=O)N(C)C)CC1 1301222821 HAMHCPXJIIMKDT-KRWDZBQOSA-N 423.583 1.841 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CC1(O)CCC1 1301278484 MUJOUEZPEAYAGH-UHFFFAOYSA-N 405.524 1.733 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCC(=O)N1 1301363450 SQMGUHDNVPZSCI-UKRRQHHQSA-N 400.508 1.762 30 10 HDEE C=CCOc1ccccc1Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(N)=O)C1 1301530336 SFKMJBVAHRRCCZ-QGZVFWFLSA-N 424.505 1.439 30 10 HDEE C=CCCONC(=O)[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)OC(C)(C)C)CCO1 1301635622 QFRWJEPLOXBNRA-LJQANCHMSA-N 400.472 1.958 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)C[C@@H](C)C#N 1301915942 FDWJKFJCIRBZLK-AWEZNQCLSA-N 408.470 1.043 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC#N)n1CC1(S(C)(=O)=O)CC1 1302242196 JEVRGWYYKYPEGY-KKUMJFAQSA-N 411.528 1.318 30 10 HDEE CC(C)(O)Cn1c(Cc2cccnc2)nnc1N1CCN(c2ncccc2C#N)CC1 1302370627 WZZJIXSDKISDKD-UHFFFAOYSA-N 418.505 1.628 30 10 HDEE CO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NCC(F)F)C1 1302401077 DIJXWCLYHRPTKX-HNNXBMFYSA-N 420.420 1.335 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1303311672 HJOYQCURQDGBTF-UHFFFAOYSA-N 406.498 1.424 30 10 HDEE C[C@@](O)(C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)c1cccc(C(F)(F)F)c1 1304001361 ANKZPKBPZLIKMO-BPUTZDHNSA-N 402.394 1.310 30 10 HDEE CCCN(C)C[C@@H]1CCN(c2nnc(CC)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1306788462 PUBASLHJFTWJDZ-JVMRMLDLSA-N 415.542 1.535 30 10 HDEE Cc1cc(F)cc(C#N)c1S(=O)(=O)NCC1(NS(C)(=O)=O)CCCCC1 1309029837 FELUKLORPXMASH-UHFFFAOYSA-N 403.501 1.536 30 10 HDEE C[C@H](C(=O)NC1CCCC1)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2)CC1 1319318542 OXZOKDHLFPKTPI-MRXNPFEDSA-N 404.536 1.506 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)Nc1cc(N2CCOC2=O)ccc1F 1321743826 CDFKMNFBDOKEOI-NXVVXOECSA-N 403.370 1.430 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cn2ccsc2n1 1358871912 LXRJHWSDIKZCEH-RYUDHWBXSA-N 407.525 1.104 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1358918995 OPLWOIPKAAGPQF-HNNXBMFYSA-N 424.571 1.080 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1OCC[C@H]1C)[C@@H]1CCS(=O)(=O)C1 1358960383 CZUKUDVTWFBDQB-KBAYOESNSA-N 415.519 1.392 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1CCc1cccc(C(=O)NC)c1 1358968494 NKDKIYQYRUXSJZ-UHFFFAOYSA-N 418.501 1.189 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)CC1 1359050725 AIJDOAJTTLSDLY-UHFFFAOYSA-N 400.464 1.546 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCC(=O)N2)n1CCc1cccc(C(=O)NC)c1 1359069379 KIAKVFKMQOPOQT-FDDCHVKYSA-N 420.517 1.824 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(n2ccc([N+](=O)[O-])n2)CC1 1359287758 UKFIMFQQDBNGRD-CYBMUJFWSA-N 421.483 1.312 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2c(C)noc2C)C1 1359320563 SEBKDPQMDQWAJI-WBVHZDCISA-N 400.483 1.858 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N1CC[C@](C)(C(N)=O)C1 1359334510 ILSWKYCYLYPENO-IBGZPJMESA-N 409.556 1.313 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCC(CC#N)CC3)n2C[C@@H]2COCCO2)CCOC1 1360339738 WSRUDPAHMBUTDH-WIYYLYMNSA-N 419.526 1.864 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCc2nnc3n2CCC3)C1 1440901477 LYSCYOSFMACAQK-UHFFFAOYSA-N 401.268 1.611 30 10 HDEE C#CCN(CC(=O)NCc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)OC(C)(C)C 1442971211 BTAWIUKEWOCWEN-OAQYLSRUSA-N 414.462 1.228 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)cn1 1448874319 FPXIKEUVSVUIDT-UHFFFAOYSA-N 404.467 1.760 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)/C=C\[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 1449091881 YPFKDYGKDUFJNC-CNZFZVQHSA-N 418.538 1.083 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(c3ncns3)CC2)ccc1F 1449958997 XRZNWTZHSNPGIJ-UHFFFAOYSA-N 411.484 1.104 30 10 HDEE C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 1453390105 KLWLRZNVOFOKPU-VLIAUNLRSA-N 418.519 1.718 30 10 HDEE C#CCCOc1ccc(C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)cc1 1453537581 XMGLSRBCVZYEMT-JOCHJYFZSA-N 418.490 1.817 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1 1454067000 WVOWTLSXLIHOSI-SFHVURJKSA-N 419.547 1.314 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCNS(=O)(=O)c1ccc(C)cc1)C(=O)OCC 1454713551 NZAISIDNNXPIJJ-HNNXBMFYSA-N 402.900 1.854 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(O)(COCCO)CC1 1455927612 QOYBVARFTGPSQO-MRXNPFEDSA-N 400.516 1.598 30 10 HDEE CCOC(=O)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CCO1 1456864229 RUJSGPWHPQXSCK-BBRMVZONSA-N 405.838 1.355 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 1457319364 GGZFXMHSCVRRAU-RRFJBIMHSA-N 403.545 1.809 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCC3=C(CCC(=O)N3)C2)CC1 1460411635 RTEXHBOTRAOUBO-FQEVSTJZSA-N 411.481 1.404 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)Cc1c(Br)cccc1OC)C(=O)OC 1463595994 ARVBQQMQLZWRHA-ZDUSSCGKSA-N 422.297 1.621 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC(CC(=O)N3CCCC3)CC2)c1 1464227461 NGRQFQDJJBMSNA-UHFFFAOYSA-N 421.494 1.988 30 10 HDEE C#C[C@@H](NC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1)c1ccccc1 1470662044 BYLSEWZQGXKWBH-FUHWJXTLSA-N 412.490 1.880 30 10 HDEE COC(=O)c1coc([C@@H](C)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1473266957 FXDGWAMMWVIXGT-CYBMUJFWSA-N 404.448 1.400 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC 1473704983 QOVIBEZVCRZQCK-CABCVRRESA-N 414.549 1.313 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc(-c2ccc(C#N)cc2)n1CCC(C)(C)O 1503603001 LNWKFFOMBZFZAZ-UHFFFAOYSA-N 405.524 1.849 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1Cc1cnn(C)c1C 1507666352 ASRNQHHPUSAUTA-UHFFFAOYSA-N 405.462 1.559 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCn1nc(C)cc1C 1507672576 CNXMRNUOWQMOHV-UHFFFAOYSA-N 407.522 1.767 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)nc2)n1CCS(=O)(=O)NC(C)C 1507682267 MKEKXDNQHICEEG-UHFFFAOYSA-N 410.931 1.781 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2Cc2conc2COC)CC1 1507727186 HJMFPPCIZZNUFF-UHFFFAOYSA-N 412.519 1.868 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)Cc1ncnn1CC(F)F 1507750265 OOOJVBAGRSPKIU-UHFFFAOYSA-N 421.481 1.538 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1507838252 NTDVVJBUHYTTTQ-FQEVSTJZSA-N 408.506 1.930 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N(C)C[C@@H](C)C#N 1508091971 OMKRFELOZBQFEL-ZDUSSCGKSA-N 401.496 1.168 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)OC2(CCOCC2)C1 1508159396 NJPSLWUJLWNDEL-CVEARBPZSA-N 421.567 1.923 30 10 HDEE N#Cc1c(NC(=O)[C@@H]2CS(=O)(=O)CC(=O)N2)sc2c1-c1ccccc1CC2 1517026409 KULCYJMSFVRQBA-ZDUSSCGKSA-N 401.469 1.237 30 10 HDEE CN(CCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1)Cc1ccc(F)cc1 1517311062 AVBGINFMQHJMJP-LJQANCHMSA-N 424.484 1.678 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc(C(N)=O)o2)cc1 1525819577 RHCIZHOKFGUFER-ULKWBNOWSA-N 416.459 1.843 30 10 HDEE C#C[C@@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2)C1CCOCC1 1529513712 RQRLCYBNPJFTHD-QGZVFWFLSA-N 407.488 1.556 30 10 HDEE CC[C@@]1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C#N)CCN(C(C)=O)C3)C1=O 1533459340 YOUZOQORDPICPT-GOSISDBHSA-N 403.464 1.183 30 10 HDEE N#Cc1cccc(CN2CCC(NC(=O)c3ccnc(N4CCOCC4)n3)CC2)c1 1537814553 ZOBAKURDTNZKRL-UHFFFAOYSA-N 406.490 1.579 30 10 HDEE N#C[C@@]12CN(C(=O)c3cc([N+](=O)[O-])ccc3OC(F)F)C[C@H]1CS(=O)(=O)C2 1538308684 PBGYSKVTZUQSFJ-VFZGTOFNSA-N 401.347 1.207 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1Cc1ncn(C)n1 1539011732 HBDXEWKQZBEXDD-OAHLLOKOSA-N 406.498 1.087 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CCCC(=O)NC1CC1 1539030997 VRCYXEYDEIDZIW-AWEZNQCLSA-N 414.535 1.786 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1C 1539148353 JXDOHKSUKYXIRP-HOTGVXAUSA-N 405.524 1.734 30 10 HDEE C#CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@@H](C)N(C)C 1539179312 OMLBZDXELVBHRZ-HZPDHXFCSA-N 406.531 1.606 30 10 HDEE C#CCN(C)c1nnc(CN2CCCC2=O)n1CC1(N2CCOCC2)CCCCC1 1539190718 PCFSPZQMVKYPEN-UHFFFAOYSA-N 414.554 1.505 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)cc2OC)n1Cc1ncn(C)n1 1539402358 ARZQYRKQVDUFPG-UHFFFAOYSA-N 415.885 1.870 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2csc(C)n2)n1CCCNS(C)(=O)=O 1539562905 DTJHDFIDRLDYEV-GOSISDBHSA-N 422.580 1.565 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCOC)CC1 1539612802 QGDZAGPFRUKPDQ-QZTJIDSGSA-N 420.558 1.166 30 10 HDEE C=C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccc(C(N)=O)nc2)CC1 1539861395 UIFILEXMBZTBAO-WMZOPIPTSA-N 412.494 1.701 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@H]2C1 1539948042 SGTJVUMHRTZWRS-HNNXBMFYSA-N 410.482 1.496 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCS[C@@H](C)[C@@H]1C 1540874456 HKAKCUJXQDXCER-HOTGVXAUSA-N 403.556 1.772 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCOC(C)(C)[C@H]1C 1540903948 HTZCXQIPLQCKGR-MRXNPFEDSA-N 419.551 1.868 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C2CN([C@H]3CCOC3)C2)cc1 1544463458 XZUVFAFBJDHSHV-XMMQZVGTSA-N 406.508 1.159 30 10 HDEE COc1ccc(NC(=O)[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2=O)cc1C#N 1544961905 HUQRNFHCTREYDS-ZDUSSCGKSA-N 402.451 1.973 30 10 HDEE CCn1ccc(C(=O)N2CCN(c3ccc(C#N)c(C(F)(F)F)c3)C[C@H]2C(N)=O)n1 1548369196 KERPWENLDBGTNR-INIZCTEOSA-N 420.395 1.610 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CC2([S@](C)=O)CCC2)cc1 1554868841 GBZDQPKUJVZOFG-JWRCQZCYSA-N 415.519 1.984 30 10 HDEE CC(C)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1=O 1556864382 KDILFBVNBOEPLH-TZQQIIETSA-N 404.511 1.852 30 10 HDEE CCc1c(NC(=O)CCN/C(O)=C2\N=CC=CC2=O)nnn1Cc1ccc(F)cc1 1556901738 GWAOVEWTEPHRJW-CZIZESTLSA-N 412.425 1.883 30 10 HDEE C=CCOc1cn(-c2ccccc2)nc1C(=O)N1CCS(=O)(=O)[C@H]2COCC[C@@H]21 1556959507 CRLSYAHFYICCBD-WMZOPIPTSA-N 417.487 1.465 30 10 HDEE N#CC[C@@]1(O)CCN(C(=O)N[C@@H]2CCc3cc(Br)ccc3NC2=O)C1 1565262119 QLVUUEOZBVUJNK-RHSMWYFYSA-N 407.268 1.762 30 10 HDEE CN1C(=O)CO[C@H](C(=O)N2CCN(c3ccsc3C#N)CC2)[C@H]1c1cccnc1 1586185355 XCJRLPKHDVYXCA-MOPGFXCFSA-N 411.487 1.262 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCCN(CC(=O)NCC)CC1 1587727886 BANUDEACCSIRBQ-OAHLLOKOSA-N 416.950 1.693 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H](Cn2nc(C)nc2C)C1 1587804109 VAQHLUNVOLJCLX-GOSISDBHSA-N 412.542 1.955 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1CCc1cnc2c(Cl)cnn2c1 1588139712 QNDDIDIIQRENOE-INIZCTEOSA-N 409.881 1.794 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@]2(C)CCCO2)CC1 1588929683 FPHYDXKRTUGOON-UTKZUKDTSA-N 401.511 1.317 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCC(N2CCCC2=O)CC1 1593747267 SZVNBJMZEQJIRP-QGZVFWFLSA-N 403.527 1.966 30 10 HDEE CN(Cc1ccc(C#N)cc1)C(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1595396007 UKVBWMHNHPNUIK-UHFFFAOYSA-N 420.878 1.247 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CC[C@H](C(N)=O)C1 1595506892 PFUOFEIABUDMQK-NSHDSACASA-N 423.304 1.866 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](COC(C)C)C1 1595544411 HUJLSGJXLCSYPI-IRXDYDNUSA-N 407.515 1.105 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccs2)CC1 1595550973 KINGJNHWTWTWJQ-MRXNPFEDSA-N 416.551 1.468 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)[C@@H](CC)CO)nnc12 1611388582 KQMDDZQPZAARHF-ZDUSSCGKSA-N 401.492 1.552 30 10 HDEE CCOC(=O)c1cnn(CC(=O)C2(NC(=O)C(F)(F)F)CCCCC2)c1C#N 1613671404 CDZZMUKZGJNSQN-UHFFFAOYSA-N 400.357 1.882 30 10 HDEE C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cccc(C(F)(F)F)c3)S[C@@H]12 1616175311 UNHCGMLYZQDOFR-SEBNEYGDSA-N 413.421 1.258 30 10 HDEE C=C1C[C@@H]2CC[C@H](C1)N2C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 1618438124 ZWTFCTDHLORHMR-HDICACEKSA-N 420.531 1.968 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N(C)C)C[C@@H]1C 1618895600 SQSSVYJFIUVEGK-AWEZNQCLSA-N 411.466 1.182 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2Cc2ncn(C)n2)c1 1619130397 ARCUKFCMYATGQE-LJQANCHMSA-N 412.429 1.581 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@H](NC(C)=O)C1 1619615054 VRJHVCYMTRPEDB-MSOLQXFVSA-N 400.458 1.906 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)CC1 1622972495 IVRQITJFZPYFNE-UHFFFAOYSA-N 417.491 1.576 30 10 HDEE C=C(C)CN(Cc1ccc(CO)o1)C(=O)[C@H]1OCC(=O)N(CC)[C@@H]1c1nccn1C 1623821619 LGGLHIUBWDSLAH-OALUTQOASA-N 416.478 1.399 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)[C@@H]2CN(Cc3ccccc3)C[C@@]23CCOC3)CC1 1623969891 VUSRNCSTDLIGHT-WMZHIEFXSA-N 411.502 1.830 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(O)c(S(N)(=O)=O)c1 1624308562 JMTNEDJQYXLIFE-UHFFFAOYSA-N 410.249 1.855 30 10 HDEE Cc1cc(C#N)cc(NC(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c1 1625598265 DUXNKQSJIMTHMB-UHFFFAOYSA-N 406.508 1.961 30 10 HDEE Cc1cn(C(C)(C)C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)nc1C(F)(F)F 1627140358 NLCBWYOACSPLNE-XHDPSFHLSA-N 404.414 1.342 30 10 HDEE Cc1c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)nnn1-c1ccc(F)c(F)c1 1627264854 ISNZECUVWINHJB-FBMGVBCBSA-N 402.361 1.110 30 10 HDEE N#Cc1cc(NC(=O)[C@H]2C[C@@H]3CC[C@H](C2)S3(=O)=O)ccc1N1CCC(O)CC1 1630448493 TURDDOIPSROYHS-WVJCCSTMSA-N 403.504 1.814 30 10 HDEE Cc1ccc(CNC(=O)CCn2cc(C#N)c(O)nc2=O)c(OC[C@@H]2CCOC2)c1 1631027577 BDUNCEDRYWCNOR-OAHLLOKOSA-N 412.446 1.251 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)c1 1633382619 RWWZEEQYFZIUMO-KSSFIOAISA-N 406.435 1.337 30 10 HDEE N#Cc1ccc(C2(NC(=O)N[C@@H]3CCO[C@@]4(CCS(=O)(=O)C4)C3)CCC2)cc1 1633615247 RPDRXYVSZWJPJD-MJGOQNOKSA-N 403.504 1.973 30 10 HDEE CN(CCO)CCN(C)C(=O)c1cn(CCC#N)nc1-c1ccc([N+](=O)[O-])cc1 1634111459 ORIPRLNPJFIAGL-UHFFFAOYSA-N 400.439 1.368 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1634845457 SFUJALBZRCBOPQ-JZXOWHBKSA-N 409.527 1.990 30 10 HDEE Cn1nccc1[C@@H](O)CNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1635727469 SAROVBWJIMVJLM-INIZCTEOSA-N 404.268 1.340 30 10 HDEE CN1C[C@H](N(C)C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CCC1=O 1637952189 JYMLQQHLZDTUKG-FMPZLKCCSA-N 404.511 1.852 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NCC(=O)NCC(F)F)C1 1639784302 XPFCFPAFDGOBBW-UHFFFAOYSA-N 401.211 1.254 30 10 HDEE COC(=O)[C@]1(N2CCN(c3nc4c(c(C#N)c3C#N)CCCCCC4)CC2)CCOC1 1642957436 AQLQRQJIQGNTFV-QHCPKHFHSA-N 423.517 1.938 30 10 HDEE COCC[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)c1cccnc1 1644762448 BNGTVZIAZXJPQF-KDOFPFPSSA-N 402.476 1.514 30 10 HDEE C#CC[C@]1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1645438253 IXOGRNRRHAWSJI-FOIQADDNSA-N 404.467 1.403 30 10 HDEE C#CC[C@@]1(C(=O)N2CCN(S(C)(=O)=O)[C@H](C)C2)CCCN1C(=O)OC(C)(C)C 1645440127 ZHRIWVBHDZUZJH-BEFAXECRSA-N 413.540 1.272 30 10 HDEE C#CCN(C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C)C(C)C 1652386428 GERBMBYNUUFVFC-UHFFFAOYSA-N 420.425 1.914 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(C#N)CCOCC3)CC2)cc1 1653634055 FVANYROYCIZHIQ-UHFFFAOYSA-N 405.520 1.832 30 10 HDEE C#CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1)C(C)C 1660279626 KRMDYTGWNPHTHK-UHFFFAOYSA-N 417.575 1.742 30 10 HDEE C#CCC1(NCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CCCCC1 1660315649 WLXHDRACKVXFPO-UHFFFAOYSA-N 403.548 1.835 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN(C(=O)Nc3cc(CC#N)ccn3)CC2)cc1 1663870399 AEGZHKWAHQMWHJ-UHFFFAOYSA-N 414.491 1.410 30 10 HDEE CC(C)(C)N1CC[C@@H](NS(=O)(=O)c2cc(Br)cc(C#N)c2)C1=O 1664668059 GEUQYGXSAXEYDV-CYBMUJFWSA-N 400.298 1.998 30 10 HDEE CN1CCC(N2CC[C@H](NC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)C2)CC1 1669159512 CBSIBTDANSEFBI-QFIPXVFZSA-N 424.593 1.990 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CO1 1676479554 VLINJQALMKDKLL-MRXNPFEDSA-N 401.467 1.941 30 10 HDEE N#C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2OCC(=O)NC[C@@H]2CCCO2)C1 1677304771 ICHJMINSSUSDPB-JQHSSLGASA-N 400.479 1.852 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(S(=O)(=O)N(C)C)c1 1677462089 VTPWFUQUJJJNQL-UHFFFAOYSA-N 413.471 1.885 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)NCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 1680687668 WLKCZIWEYMOHIH-LBPRGKRZSA-N 410.414 1.985 30 10 HDEE CCOc1ccc([C@H](C)NC(=O)NCCn2cc(C#N)c(O)nc2=O)cc1OCC 1681877111 HPYHKQFKGMDUSB-ZDUSSCGKSA-N 415.450 1.678 30 10 HDEE CC(C)(C)OC(=O)N1C[C@]2(C)CN(C(=O)NCCn3cnc(C#N)n3)C[C@]2(C)C1 1686406201 RMBHMUCFBBHMNL-KDURUIRLSA-N 403.487 1.438 30 10 HDEE C[C@H](Cc1cn(C)c2ccc(F)cc12)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1686773544 NPVXZLPFCUKQGM-AFBRZQFHSA-N 418.494 1.828 30 10 HDEE C#C[C@H](NC(=O)N1CCC(C(=O)NCCCN(CC)CC)CC1)C1CCOCC1 1687127036 ZZILCISDAQDFRI-FQEVSTJZSA-N 406.571 1.685 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1Cc1nncn1-c1ccccc1 1690092806 WWURMGAEYCUOBQ-UHFFFAOYSA-N 422.493 1.131 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H](F)COC)CC1 1690131045 SMFINLZKVPVRRD-LJQANCHMSA-N 415.513 1.812 30 10 HDEE C=C(C)Cn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1690290505 LOFMSQDAYJXWCN-UHFFFAOYSA-N 404.540 1.941 30 10 HDEE C=CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(S(=O)(=O)CC)CC1 1690462343 DUVSQYYUFNPMDC-INIZCTEOSA-N 409.556 1.989 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CC[C@@H](CN(C)CCC)C1 1690670551 DROYABMQPRTGIG-ZWKOTPCHSA-N 404.559 1.990 30 10 HDEE C[C@H](Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@](F)(C#N)C1)N(C)C 1692695264 HCJPBKGZYNHZGD-KUHUBIRLSA-N 420.514 1.741 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CCc1ccc(O)cc1 1692774472 HCEYMMWGEIYPNF-AWEZNQCLSA-N 418.523 1.577 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC#N)CC2)n1CC1(N(C)C)CCC1 1692780309 AKONSUKFMQYESN-OAHLLOKOSA-N 423.587 1.503 30 10 HDEE CSCCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@H](C#N)C1 1698430507 LCJHLOKXNPVBNL-OAHLLOKOSA-N 421.548 1.830 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1CCS(=O)(=O)CC1CC1 1705478655 FHIDGVOGUMGELD-HNAYVOBHSA-N 410.540 1.213 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CC2([S@@](C)=O)CC2)CC1 1705652814 OOKRXSMQWCFMFN-HYDGNGQDSA-N 419.551 1.007 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N1CCS(=O)(=O)CC1 1705687364 CSKRKMLSJBAAII-LBPRGKRZSA-N 405.318 1.316 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)CN2CCOCC2)CC1 1705769542 VSUXDVCJYYJKIL-ROUUACIJSA-N 423.583 1.305 30 10 HDEE C=CCCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705827389 CPJLPZXVBTVPMJ-IBGZPJMESA-N 421.505 1.965 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1705898692 ULLMLWKTMYNUQM-LJQANCHMSA-N 415.885 1.155 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCS(=O)(=O)CC1CC1 1706611123 FOMXBZZFTLEALA-IBGZPJMESA-N 422.555 1.371 30 10 HDEE CC1(C)CN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)CCO1 1706952591 XQWFKKOMNDTQSO-UHFFFAOYSA-N 418.523 1.371 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CC(=O)NCc1ccco1 1707669412 ILKILGFRWVOHCC-IBGZPJMESA-N 420.473 1.816 30 10 HDEE CCOCc1nnc(N(C)CC2CC(F)(F)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1710651649 KZYSJHQTWQEXQG-WUKNDPDISA-N 424.452 1.823 30 10 HDEE CC[S@@](=O)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[C@](C)(C#N)C1 1710913590 QWAWAKVRECDMOZ-SONOPUAISA-N 418.523 1.904 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCn1cc(C)cn1 1711377940 CSTREDSUSORHNE-UHFFFAOYSA-N 406.494 1.984 30 10 HDEE COc1cc(OC)cc(N(C)c2nnc(C)n2CCN/C(O)=C2\N=CC=CC2=O)c1 1711706158 VQLUUWLSCPDRRG-VHEBQXMUSA-N 412.450 1.898 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCCN(CC)CC)[C@H]1CCS(=O)(=O)C1 1722368902 XCUOXEFSHSUUMP-ROUUACIJSA-N 423.583 1.141 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCO[C@@H](C)C1 1722420201 DZMMSPTYSYSDCU-UEXGIBASSA-N 406.527 1.831 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccccc1C 1722423109 YOQFHHJNTOEWNU-MRXNPFEDSA-N 405.524 1.331 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2CCOCC2)CC1 1722432774 DPDQXNMXPWNLTF-QFIPXVFZSA-N 417.554 1.501 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2ncccc2C)CC1 1722447278 HBTLYXROJGNAJO-GOSISDBHSA-N 408.506 1.500 30 10 HDEE C#CCSCCn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 1722452929 UEMKGQVETVZYSB-APWZRJJASA-N 404.584 1.332 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)OCC(C)C)CC1 1722550039 DDIJCNMTUKMJIP-AWEZNQCLSA-N 410.906 1.896 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(F)cc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1722642432 CDRIUZJSLPPJHD-OAHLLOKOSA-N 423.514 1.900 30 10 HDEE Cc1nc(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@](F)(C#N)C2)sc1C 1724087747 DDZOBFJXDREYAN-CXAGYDPISA-N 424.527 1.744 30 10 HDEE CN(Cc1ccon1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1729450689 ANSVSZCHMJPNHO-UHFFFAOYSA-N 421.461 1.879 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1740539469 QARKIWPDULRZHC-OAHLLOKOSA-N 417.535 1.579 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CCCN(C(C)=O)C1)[C@@H]1CCS(=O)(=O)C1 1740617947 ZFGIGTWZTRWPOW-QZTJIDSGSA-N 421.567 1.287 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1c[nH]c2ccccc12 1740630115 FRCRAIGSKYFROK-INIZCTEOSA-N 424.530 1.685 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCOc2cccc(C)c2)CC1 1740689013 NVKXZTGPJFDXRJ-UHFFFAOYSA-N 422.533 1.657 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCC[C@@H](O)C1 1740724896 JPNWOGKPSFBOHJ-YIOZNXECSA-N 409.556 1.432 30 10 HDEE C=CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@]1(C)COCCO1 1740899346 LRFPFJYTIPNUCZ-NRFANRHFSA-N 413.526 1.880 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[C@H]([C@H]2CCOC2)C1 1740989819 AHFRDNOQMZTWDM-HOTGVXAUSA-N 418.523 1.199 30 10 HDEE CCc1nnc(N2CC[C@@H](N3CCCCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1744632627 VTPVGHIIYAYGOA-DVSFIDLUSA-N 413.526 1.432 30 10 HDEE CCO[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1746732992 CYPFNCZQRUIFJB-PXNSSMCTSA-N 404.515 1.145 30 10 HDEE CO[C@H](C)c1nc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cs1 1748375119 AJVYRNUNOKNGBO-MRVWCRGKSA-N 417.495 1.170 30 10 HDEE C#CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C[C@H]2CCCO2)CC1 1748730530 NFSMGHXMOSMQEV-GOSISDBHSA-N 400.527 1.229 30 10 HDEE C#CCCCn1c(Cc2ccccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1748755991 FVEDEWNLOKWJRA-UHFFFAOYSA-N 402.524 1.149 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1CCc1ccc(S(N)(=O)=O)cc1 1748789095 VPCXONHXVDCEJY-MRXNPFEDSA-N 403.508 1.132 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCOC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 1748812587 XFXUODZEYZUJQS-YESZJQIVSA-N 417.535 1.573 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(C)n(C)c1=O 1748824482 DBRABBPPCOLNOX-UHFFFAOYSA-N 415.457 1.054 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2ccccc21 1748825621 AYKQWASZJIOFDQ-FUHWJXTLSA-N 411.531 1.691 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCOc2cccc(C)c2)CC1 1748971716 ZQHZFGNJRVVCKT-UHFFFAOYSA-N 410.522 1.559 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[C@@H]2CCCCO2)CC1 1748991126 QTVHJZKTEBNOMS-ROUUACIJSA-N 400.527 1.334 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCNC(=O)C1 1749120100 AEMLJOFMNHTVSI-YJBOKZPZSA-N 412.450 1.771 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2ccc[nH]2)nnc1N(C)[C@H]1CCS(=O)(=O)C1 1749126648 FJZDEPZQNBEECC-ZOBUZTSGSA-N 405.524 1.878 30 10 HDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CCCNC(C)=O)C1 1749182607 VTJIHLXSRLNSOC-LJQANCHMSA-N 412.494 1.870 30 10 HDEE C=CCn1c([C@@H]2CCCOC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 1749627080 BMWJSIWZPJWMRO-DFQSSKMNSA-N 416.570 1.737 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1C[C@]1(C)CN(C2CC2)C1=O 1750117527 CIFZROWRWCYHFX-WLNNIECUSA-N 416.526 1.609 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(-c3cnccn3)n2CCCCN2CCC[C@H]2CO)C1 1750380683 WZDARMLLEDGEPO-OXJNMPFZSA-N 414.489 1.414 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(C(=O)NCC)CCC1)[C@H]1CCS(=O)(=O)C1 1760188395 KNEBUQXKFKIEJO-INIZCTEOSA-N 419.551 1.089 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2F)n1CCS(=O)(=O)NC 1760198273 CGMDUCOHKJOFGH-UHFFFAOYSA-N 409.874 1.360 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccn2C)n1C[C@@]1(N2CCOCC2)CCSC1 1760201090 HHPNMZRLBADVOM-QFIPXVFZSA-N 424.574 1.564 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCOC(C)(C)C1 1760227655 JWTXDQXCSJRQCD-JOCHJYFZSA-N 419.570 1.889 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCN1CCC(O)CC1 1760232401 DJPYRJNADRYGBQ-UHFFFAOYSA-N 414.510 1.312 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC2CCCCC2)CC1 1760259417 AZIRVPYDAMIJMM-UHFFFAOYSA-N 422.537 1.329 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2C[C@](C)(O)C2CC2)CC1 1760268671 VKXNFEPIPCWSOH-QFIPXVFZSA-N 410.522 1.410 30 10 HDEE C=CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(N(C)C)cc1C 1760456461 PITDPQXLDOOSMI-HNNXBMFYSA-N 406.556 1.933 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N(C)Cc1ccccn1 1760556484 FLVKLIRYRLRWSE-UHFFFAOYSA-N 412.519 1.896 30 10 HDEE CCc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1CC[S@@](=O)C(C)(C)C 1763101353 FVXBCSVMFZXOFS-GDLZYMKVSA-N 415.567 1.981 30 10 HDEE CCN(CC)C(=O)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)C[C@@H](C)C#N 1764878357 GDXXWPRROUVNRR-HOTGVXAUSA-N 424.571 1.425 30 10 HDEE CCOC1CC(O)(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[C@@](F)(C#N)C2)C1 1766160093 OUNXYHCAVVKVLK-KLOCUZDOSA-N 423.489 1.374 30 10 HDEE COc1cc(OC)cc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCC(C)(C)O)c1 1768388630 CUQVGRHPUAUWHE-QGZVFWFLSA-N 401.467 1.852 30 10 HDEE COc1ccccc1Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCNC(=O)C1CC1 1768930991 GWXMQHHDFFSBMY-KRWDZBQOSA-N 410.478 1.132 30 10 HDEE CS(=O)(=O)NCCn1c(C2CC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1770362479 PCYWIFFDJBPULP-SJORKVTESA-N 400.508 1.448 30 10 HDEE Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CCC(=O)NCC#Cc1cccnc1 1850185589 WTLJAECIPXJHRN-SFHVURJKSA-N 400.504 1.355 30 10 HDEE COc1cccc(C#N)c1OCC(=O)N1CCN(C(=O)c2cnn3c2CCCC3)CC1 1851351285 GAJRUWJRZXBHEY-UHFFFAOYSA-N 423.473 1.463 30 10 HDEE N#Cc1cnc(NC(=O)[C@@H](Cc2ccccc2)N2CCS(=O)(=O)CC2)c(Cl)c1 1851442444 PVOFLVDPYIFVDB-QGZVFWFLSA-N 418.906 1.887 30 10 HDEE Cn1cc(C#CCNC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2)cn1 1852917889 HJJLPCXFAOYQJQ-UHFFFAOYSA-N 424.505 1.654 30 10 HDEE N#CCC(=O)N1CCCC[C@H](N2CCC[C@H]2CS(=O)(=O)c2ccccc2)C1=O 1853991615 MGJDVQJCCGYHSM-WMZOPIPTSA-N 403.504 1.746 30 10 HDEE C=CCCN1CC[C@H](N2CCN(C(=O)[C@H](C)Oc3cccc(OC)c3)C(=O)C2)C1 1854178310 SWNURUQSGVAWAJ-ROUUACIJSA-N 401.507 1.784 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(CCCC#N)[C@H](C)C2=O)cc1 1854281739 ULBVZLZGBXHVNB-OAHLLOKOSA-N 407.492 1.222 30 10 HDEE N#CCCN1CC[C@H](N2CCN(C(=O)c3ccncc3Br)C(=O)C2)C1 1855073418 ZVLLAJFKPGFBOJ-ZDUSSCGKSA-N 406.284 1.116 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN3CCCc4nc(OC)ccc43)CC2=O)CC1=O 1855610865 JRTPQLNKFNUINK-HOTGVXAUSA-N 412.490 1.252 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCCS(=O)(=O)c2ccccc2)CCN1[C@H](C)CCC#N 1856254677 DPKGZYYOBPXYKT-SJORKVTESA-N 405.520 1.992 30 10 HDEE N#C[C@@H]1CC12CCN([C@H]1CCN(C(=O)c3nccnc3N3CCCCC3)C1=O)CC2 1856530989 COBOHZMYFJOEKC-IRXDYDNUSA-N 408.506 1.834 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)c3cccn4ccnc34)C2=O)C1 1857106519 BIBSIMRAULBZGM-KRWDZBQOSA-N 402.414 1.105 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)CC2CCCC2)C1)C1CN(c2nccnc2C#N)C1 1857386560 OPQIPDXGBGYNBB-KRWDZBQOSA-N 410.522 1.814 30 10 HDEE CCCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)c1ccc(=O)n(C)c1 1861226400 VBUPSJYNUGQYKV-KRWDZBQOSA-N 406.527 1.616 30 10 HDEE CCCN1CCN(C(=O)CNC(=O)C2CCN([C@H](C#N)c3cccs3)CC2)CC1 1868783948 USAPYVZREOYTOA-GOSISDBHSA-N 417.579 1.695 30 10 HDEE O=C(NCC#CCN1CCOCC1)c1cn(C2CC2)c2c(F)c(F)c(F)cc2c1=O 1889885533 UKECNJVZURWXHY-UHFFFAOYSA-N 419.403 1.819 30 10 HDEE Cc1ccc(Cn2cccc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)c2=O)cc1 1890452877 KULIGFQBIVTSPU-UHFFFAOYSA-N 414.469 1.828 30 10 HDEE N#Cc1ccc(N2CCN(S(=O)(=O)c3cc4c5c(c3)CCN5C(=O)CC4)CC2)cc1 1890703142 KSIUFHLUHFVGHF-UHFFFAOYSA-N 422.510 1.904 30 10 HDEE C[C@@H](C#N)CS(=O)(=O)NC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C 1957294901 XLXCXZWJRGIOIV-LBPRGKRZSA-N 420.532 1.483 30 10 HDEE C#CC[C@](C)(CO)CNS(=O)(=O)CCCCCN1C(=O)c2ccccc2C1=O 2084846490 AHGUJEBRVLDPHN-FQEVSTJZSA-N 406.504 1.394 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(C#N)cc(Cl)n2)[C@@H]2CS(=O)(=O)C[C@H]21 2162863736 VYXVYXDGXSHFLM-CHWSQXEVSA-N 412.899 1.829 30 10 HDEE CN(C[C@@H]1CCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174780589 WLNKFVLYHQSCKX-HNNXBMFYSA-N 401.529 1.825 30 10 HDEE CN(CCOCCN(C)S(=O)(=O)N1CCC(C#N)CC1)C(=O)OC(C)(C)C 2174781431 FUZAXLBJTQSCRN-UHFFFAOYSA-N 404.533 1.282 30 10 HDEE C[C@@H](CN(C)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2247822255 GREYUNWFXXIXRC-LBPRGKRZSA-N 423.323 1.100 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)C1 2247917284 JALZJNIISZQMJR-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@@]2(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2248402952 AHVMKBSVMISYCI-BTYIYWSLSA-N 420.315 1.763 30 10 HDEE C[C@H]1O[C@]2(C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)C[C@@]1(NC(=O)OC(C)(C)C)C2 2248479554 RDSLWWIALBHIAQ-XMDBHEJHSA-N 420.315 1.952 30 10 HDEE CS[C@H]1CCN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C1 2267706205 SUKDKVBBYFXTOX-NSHDSACASA-N 404.388 1.709 30 10 HDEE CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2281975040 HOWLMQYYTFQZBC-LLVKDONJSA-N 401.359 1.909 30 10 HDEE Cc1cc(S(=O)(=O)NCC[C@H](C)[S@](C)=O)sc1B1OC(C)(C)C(C)(C)O1 2282315502 OVSUIJLLONOLCJ-VDBVYFBLSA-N 421.415 1.791 30 10 HDEE Cc1cc(S(=O)(=O)N2C[C@@H](O)C[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282315838 UACSFAIEHZHJMK-YPMHNXCESA-N 401.359 1.747 30 10 HDEE CC(C)(N)[C@@H]1CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282339631 ZJSFIXGGPIKNCD-GFCCVEGCSA-N 400.375 1.795 30 10 HDEE CCCCN(CC(N)=O)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282495916 SYMQOZIDTVTRSQ-UHFFFAOYSA-N 402.347 1.323 30 10 HDEE CN(CCNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)S(C)(=O)=O 2282629460 WDVWWWJZFQWQJZ-UHFFFAOYSA-N 422.765 1.322 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H](O)C3)c(Cl)c2)OC1(C)C 2282830231 QTAFBKDCGRYGAF-STQMWFEESA-N 401.721 1.831 30 10 HDEE C=CCCSCCNS(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282849852 HPRNSSSOLRVPKM-UHFFFAOYSA-N 401.363 1.307 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC2CC([C@H](F)CO)C2)OC1(C)C 2282870571 USAVTNJGCDUAMC-GCZXYKMCSA-N 405.322 1.435 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)N[C@@H]3CCC[C@@H]3N)ccc2Cl)OC1(C)C 2282872380 VSIIGXYBIIYJAU-LSDHHAIUSA-N 400.737 1.797 30 10 HDEE CC(C)(CCC(=O)O)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284394448 YJNUVVDJSFUNGQ-UHFFFAOYSA-N 403.331 1.969 30 10 HDEE Cc1nn(C)c(C)c1C(O)=C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1 2296623228 CZEAPCSDMKNVFX-FQEVSTJZSA-N 424.501 1.791 30 10 HDEE C=CCN1CCN([C@]2(C(=O)O)CC[C@H]2NC(=O)OCc2ccccc2)[C@@H](C)C1=O 2351188804 QZWGRAVZIRJINP-LUQKVYGDSA-N 401.463 1.617 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)CN1CC[C@H](NC(=O)OC(C)(C)C)C1 2365195915 GWQUWPNYDHMELE-CVEARBPZSA-N 401.573 1.390 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 2367792858 SCQRKICCRNLDKS-HOTGVXAUSA-N 400.541 1.571 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@]1(O)[C@@H](N)C#CC1(S(C)(=O)=O)CCC1 2367807273 RRTRQCQHFUJKOW-VCBZYWHSSA-N 400.541 1.292 30 10 HDEE C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@](O)([C@H](N)C#CC2(S(C)(=O)=O)CCC2)C1 2367830108 GEKXPESVSAEPRV-KHYOSLBOSA-N 400.541 1.292 30 10 HDEE Cc1cc(S[C@@H](C)C(=O)OCC(=O)NC(N)=O)n2c(nc3ccccc32)c1C#N 21143577 PYDJGEWLWOTEBW-NSHDSACASA-N 411.443 1.886 30 10 HDEE CCOC(=O)C1CCN(c2ncnc(N(CCC#N)CCC#N)c2[N+](=O)[O-])CC1 40618064 PQHSFVABNTURTP-UHFFFAOYSA-N 401.427 1.798 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3CCN(S(=O)(=O)CCC)CC3)cc2C1=O 46593874 BCNARXRIRATPDC-UHFFFAOYSA-N 419.503 1.403 30 10 HDEE CCCCCCCCCCc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 206967350 UGOFEILTVXWUOX-AEVYOOLXSA-N 408.499 1.414 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)/C=C\c2ccc(S(=O)(=O)NC3CC3)cc2)CC1 208883725 ZCWKAFJGYCBEFR-KYRNDMNFSA-N 416.547 1.833 30 10 HDEE COCCN(CCC#N)S(=O)(=O)N[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 409488110 XVALDBJJPDKFRX-NVXWUHKLSA-N 414.915 1.308 30 10 HDEE COC(=O)C1CCN(C(=O)COc2c(C#N)cnc3c(OC)cc(OC)cc23)CC1 440089739 FEIHZAQYLYUPOE-UHFFFAOYSA-N 413.430 1.914 30 10 HDEE COc1ccc(C#N)cc1NC(=O)C(=O)N(C)[C@H]1CCN(c2ccccc2F)C1=O 440329020 MRGJMGRKRVDYAE-KRWDZBQOSA-N 410.405 1.908 30 10 HDEE Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(C#N)c(C(F)(F)F)c3)CC2)n[nH]1 440745216 FJKYOIHVDQRADG-UHFFFAOYSA-N 421.383 1.287 30 10 HDEE COc1cccc(C[C@H](C(=O)NCCOc2ccc(C#N)cc2)n2nnnc2C)c1 460261285 JSSSHUUQNCDMAG-HXUWFJFHSA-N 406.446 1.841 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@H]2CCCN(C(=O)NC3CCCC3)C2)CC1 468248974 BVBGARUEEDBOTN-SFHVURJKSA-N 410.522 1.966 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(Br)c(OC)c2)CC1 472863766 OXGBPVOCTYEBQM-UHFFFAOYSA-N 411.300 1.909 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN3CCO[C@H](c4cccc(O)c4)C3)CC2)o1 485965559 NBDRVHRJQJRBIW-IBGZPJMESA-N 411.462 1.282 30 10 HDEE N#Cc1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)ccc1F 488726049 MNTREDAHZNSFDE-UHFFFAOYSA-N 417.466 1.110 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2CCN(C(C)(C)C(=O)OC)CC2)cc1 494389563 WYODICWGWGIOON-UHFFFAOYSA-N 416.522 1.901 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 505592653 HCUPDOQVILDCTP-HNNXBMFYSA-N 422.528 1.756 30 10 HDEE C=CCn1c(-c2ccc(F)cc2)nnc1S(=O)(=O)Cc1nnnn1C(C)(C)C 506881681 QHZJEQYJADEBTD-UHFFFAOYSA-N 405.459 1.986 30 10 HDEE C=CCn1c(CCc2ccco2)nnc1N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 509002882 UOWDPTGQPQKUFE-SFHVURJKSA-N 412.538 1.975 30 10 HDEE C=CCn1c(Cc2ccccc2OC)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 509012600 NKIYITRTHNCQBV-MRXNPFEDSA-N 422.493 1.595 30 10 HDEE C=C(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C2CC2)C(=O)C1 516880372 QXAWDVVNEZECDM-UHFFFAOYSA-N 415.519 1.736 30 10 HDEE CN(C)CCCNS(=O)(=O)c1cccc(-c2noc(-c3ccnc(C#N)c3)n2)c1 517623179 NPYBWNOJJFGUGF-UHFFFAOYSA-N 412.475 1.900 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2C)c(=O)n1-c1ccccc1C 523735776 BYZZJHKPUOXAJO-UHFFFAOYSA-N 407.470 1.904 30 10 HDEE C=CCN(CC(=O)N1CCC(OCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 532718035 FWAMCDZGFMUFLQ-IBGZPJMESA-N 406.548 1.869 30 10 HDEE N#CC1(CS(=O)(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)CCCC1 544745316 ANQKDIXCVDYYNA-UHFFFAOYSA-N 411.549 1.797 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Cn3cnc4c(oc5ccccc54)c3=O)CC2)n1 544833914 WZNYTWIFSODYNQ-UHFFFAOYSA-N 414.425 1.758 30 10 HDEE N#Cc1c(Br)cccc1S(=O)(=O)N1CCO[C@@]2(CCCOC2)C1 553880166 ABISTCNZTJEDIN-HNNXBMFYSA-N 401.282 1.891 30 10 HDEE C=C(C)Cn1c([C@H]2COCCO2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 563321669 MCIYQZWXMXHLEE-MRXNPFEDSA-N 410.540 1.880 30 10 HDEE CCN(CC)c1ccc(N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)nn1 585472178 JMCJDSPWABRJHQ-UHFFFAOYSA-N 400.508 1.705 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1 589449949 GCSVUPRLALONKW-UHFFFAOYSA-N 401.404 1.008 30 10 HDEE N#CCCN(Cc1cccnc1)C(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1 604529904 FZQBVFVIRDSZEI-OAQYLSRUSA-N 417.469 1.800 30 10 HDEE CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1I 694942033 PTORHHSTDUSMPE-UHFFFAOYSA-N 423.081 1.499 30 10 HDEE Cc1cccc(N(CCC#N)C(=O)COC(=O)CS(=O)(=O)NC(C)(C)C)c1C 731727774 DOZTZAXSMAGOMC-UHFFFAOYSA-N 409.508 1.811 30 10 HDEE CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCN/C(O)=C3/N=CC=CC3=O)ccc2NC1=O 746330886 ABRYCFWRNUPWQA-NKDPLPEQSA-N 412.446 1.890 30 10 HDEE CCN(CC#N)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Br 751109693 UIPZKKSWKMYXHU-UHFFFAOYSA-N 416.297 1.456 30 10 HDEE Cn1cc(C#N)cc1C(=O)OCC(=O)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1 751733999 LZHFNAQOBNWDGV-MRXNPFEDSA-N 407.492 1.402 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccc4n[nH]cc4c3)CC2)n1 761035413 BUVRUGNHXWGSTK-SREVYHEPSA-N 401.430 1.673 30 10 HDEE C#CCOCCOC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 762723183 LTMQGOCVHIMBAB-OAHLLOKOSA-N 416.293 1.795 30 10 HDEE COc1cc(C)c(Br)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 765369032 PERJIJWRJHHMSM-CYBMUJFWSA-N 421.295 1.903 30 10 HDEE O=C1C[C@@H](c2cccc(NC(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)c2)CN1 772247641 WOSPOGBJCJEQEN-CQSZACIVSA-N 412.471 1.357 30 10 HDEE C#CCN(C(=O)N[C@@H](C)c1ccc(N2CCCC2=O)cc1)[C@@H]1CCS(=O)(=O)C1 774194886 JOZDWPSIDFQQRQ-MAUKXSAKSA-N 403.504 1.706 30 10 HDEE Cc1nc(C#N)c(C#N)n1CC(=O)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1 779367823 GUWVYHQXVSIGTH-GHXNOFRVSA-N 424.486 1.080 30 10 HDEE C[C@H](OC(=O)[C@@H](O)c1ccc(C#N)cc1)C(=O)N(C)C[C@H]1COc2ccccc2O1 780206314 QGLFBNSFOPFWNC-VHFSOBRXSA-N 410.426 1.822 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@@](C)(C(=O)OCc2cc(O)n3ncc(C#N)c3n2)C1 784019852 WHADJCLWLKVABG-LJQANCHMSA-N 401.423 1.997 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F 795805762 MYSUONDTFHRETD-JTQLQIEISA-N 423.871 1.077 30 10 HDEE C=CC[C@@]1(C(=O)NS(=O)(=O)[C@H](C)C(=O)OC)CCCN1C(=O)OC(C)(C)C 797292645 SVPROTQWYYITRQ-PXAZEXFGSA-N 404.485 1.340 30 10 HDEE C[C@H](C(=O)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)n1cnc(C#N)n1 798350654 LQXKPYPXEUEIMS-ZEVOCZHWSA-N 414.422 1.703 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c1 801073534 FJGQFUFHNXUBBJ-LJQANCHMSA-N 420.469 1.586 30 10 HDEE CS(=O)(=O)c1ccc(S(=O)(=O)Oc2cccnc2C#N)c(Br)c1 801698943 NVAFUWLLUYBUFK-UHFFFAOYSA-N 417.262 1.887 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CCN(CC)[C@@H]2c2cc(F)c(F)c(F)c2)CC1 801957027 UITDAKSFDSKBBD-WIYYLYMNSA-N 408.468 1.606 30 10 HDEE COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)NCC(=O)NCC#N)C(=O)OC2 804819997 VRMCPIDRIUUTBF-UUILKARUSA-N 415.446 1.405 30 10 HDEE CCOC(=O)CON=C(C(=O)N1CCC2(C1)Oc1ccccc1O2)c1cc[nH]n1 813887179 XNJWGDKQKZWBQC-UHFFFAOYSA-N 400.391 1.094 30 10 HDEE Cn1ccnc1[C@@](O)(CC(=O)N1CCN(c2ncccc2C#N)CC1)C(F)(F)F 818653098 IMJMUUJBZJODLW-KRWDZBQOSA-N 408.384 1.176 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(C(=O)c3ccn(-c4cccc(C#N)c4)n3)C2)n1 856714241 OZGPBDIQQVCGPA-OAQYLSRUSA-N 406.446 1.899 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](CC)CNS(C)(=O)=O)CCCN1C(=O)OC(C)(C)C 1129020852 BUNFWSKQXFNIDN-RDTXWAMCSA-N 403.545 1.776 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)C1(c2ccccc2)CCN(S(=O)(=O)CC)CC1 1131708424 FYOVKBUPEPMYDM-IBGZPJMESA-N 406.548 1.915 30 10 HDEE N#Cc1ccc(CSCC(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1 1133373261 HXVHCOCAOQQAQS-UHFFFAOYSA-N 410.499 1.340 30 10 HDEE N#Cc1ccc([C@@H]2CN(C(=O)c3cccc(CN4C(=O)CNC4=O)c3)CCO2)cc1 1134507052 KPTCNUOKKSKJBL-IBGZPJMESA-N 404.426 1.824 30 10 HDEE CNC(=O)N[C@H]1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1138111076 HTUFNHZCOHGRSV-LTWWHTJUSA-N 405.499 1.303 30 10 HDEE C=CCOC[C@@H](NC(=O)C1([C@@H](C)NC(=O)OC(C)(C)C)CCOCC1)C(=O)OC 1139176048 QOCILOMTGOVLIE-HUUCEWRRSA-N 414.499 1.557 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(c2cc(F)ncn2)CC1 1141254789 FZIDKYYTWYHTKN-CQSZACIVSA-N 406.462 1.851 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3c(Br)nc4n3CCOC4)CC2)nc1 1142085593 CSCBYWMTGVPCRF-UHFFFAOYSA-N 417.267 1.405 30 10 HDEE C=C(C)COCCNC(=O)c1sccc1S(=O)(=O)N1CCC(CO)CC1 1150438978 JUPBSUCFBSLNSN-UHFFFAOYSA-N 402.538 1.464 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@@H](c4nn[nH]n4)C3)C2)C1 1153002044 QDBMVCUBAIGPEG-GWMLXNDSSA-N 401.471 1.302 30 10 HDEE CC[C@](COC)(NC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)C(=O)OC 1160930254 IECORENZEDVNHL-SAYDWMHPSA-N 423.510 1.858 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C2CCOCC2)C2(CO)CCC2)cc1 1163532356 SLUKSVJXJMLYCX-LJQANCHMSA-N 422.547 1.839 30 10 HDEE COc1cc(Cl)ccc1Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1166613765 AXSPOURXZAQYQZ-UHFFFAOYSA-N 405.838 1.934 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC[C@H](n2cncn2)C(F)(F)F)c1 1171402498 JEMNNJJQKNCVGD-AWEZNQCLSA-N 400.382 1.609 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C[C@H](O)COc2ccc(CC#N)cc2)CCO1 1174993768 MSOQTCUHQQFWHA-AVRDEDQJSA-N 420.506 1.551 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](N3CCN(C[C@@H]4CCCS4(=O)=O)CC3)C2=O)cc1 1175389263 GXTAIIQWIOJVGF-VQTJNVASSA-N 416.547 1.248 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ncc4c(n3)CCOC4)C2=O)cc1 1226112418 PWZVYILOYYKTSS-GOSISDBHSA-N 406.446 1.416 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)c3cccc(OC)c3OC)CC2)nn1 1230271555 HMKZYWHVNFSUFN-UHFFFAOYSA-N 414.466 1.149 30 10 HDEE CC(C)(CNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)CS(C)(=O)=O 1233853127 OCUIJJZUPLYTEC-CHWSQXEVSA-N 402.517 1.115 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNC(=O)Cc2ccc(C#N)nc2)CC1 1264536917 OBBHUGNZEKCNLJ-UHFFFAOYSA-N 401.467 1.129 30 10 HDEE CN1CCCN(S(=O)(=O)c2cccc(NC(=O)Cc3ccc(C#N)nc3)c2)CC1 1264943506 ITCWRUPBGUIKKU-UHFFFAOYSA-N 413.503 1.461 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCCN1c1cnn(C)c1 1286277272 BXQAKPLGXLKPAH-OKZBNKHCSA-N 415.542 1.863 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@H](N2CCOCC2)C1 1286336956 RMXOIYHESGVHPZ-RBUKOAKNSA-N 414.554 1.361 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC(=C)Br)[C@H]1CCS(=O)(=O)C1 1286386289 YBAIJSLVYZPCRJ-ZDUSSCGKSA-N 401.330 1.937 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2C[C@H](C)O[C@H](C)C2)CC1 1286469441 FKYWEWGDUZYWBV-BCDXTJNWSA-N 402.543 1.375 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(F)cn2)CC1 1286493639 FNRCOTQMIQXHMC-GOSISDBHSA-N 412.469 1.678 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H]2[C@@H](C1)C2(C)C 1286550008 YTIXZDJDDDJOAW-NNXHMXCWSA-N 423.583 1.962 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 1286780212 RCELAYIBYWKKFT-INIZCTEOSA-N 414.897 1.712 30 10 HDEE CC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2Cc2ccc(C#N)o2)CC1 1286919408 ODDQOVMGHXILCG-UHFFFAOYSA-N 405.462 1.882 30 10 HDEE COC(=O)[C@H]1CN(C(=O)c2cnn(CCC#N)c2-c2ccccc2)C[C@@H]1C(=O)OC 1289742463 SJTUSCVVTJQGMU-IRXDYDNUSA-N 410.430 1.498 30 10 HDEE COC(=O)c1cccc(C#Cc2cccc(NC(=O)C3=NN(CCO)C(=O)CC3)c2)c1 1290505036 UTRFLTACIHPSIX-UHFFFAOYSA-N 419.437 1.782 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(COc2ccc(C#N)cc2)n1CC[C@H]1CCOC1 1291193660 GXBUBKKZZVLENZ-WMZOPIPTSA-N 424.505 1.822 30 10 HDEE CCc1nnc(N2CCC(Oc3cccc(C#N)c3)CC2)n1CCCn1cnnn1 1292991145 IMGAALTZFFYSJD-UHFFFAOYSA-N 407.482 1.837 30 10 HDEE Cn1ccc(Nc2nnc(-c3cccc(C#N)c3)n2CCN2CCCS2(=O)=O)n1 1298842002 CERFGULSNAVQHS-UHFFFAOYSA-N 412.479 1.329 30 10 HDEE N#Cc1ccc(C(=O)NCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 1299100574 TZXZFQYRJFHVGE-UHFFFAOYSA-N 414.412 1.719 30 10 HDEE C#CCN(C(=O)C[C@@](C)(O)C1CC1)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1299456795 DCWRYNAGIBXAKV-LHQQFIGISA-N 400.519 1.414 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@@H]1CC[C@H](CO)O1 1300537310 DILYFMDSRYRVFQ-QKLQHJQFSA-N 408.458 1.403 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2C[C@](C)(O)c2ccsc2)CC1 1300710749 JZGBBFUKLJSHKB-XLIONFOSSA-N 401.536 1.854 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1301329331 CVIXOSWTOZOSJT-QGZVFWFLSA-N 416.551 1.700 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2noc3c2COCC3)nnc1N(C)[C@@H](C)CC#N 1301450825 MLAXOPUYSAISAN-DJJJIMSYSA-N 404.471 1.532 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1CC1([S@@](C)=O)CCC1 1301810246 USMWNNGZIYCKIV-WVDZOPJMSA-N 409.556 1.840 30 10 HDEE N#CCCN1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 1302596037 BSYSSAZDPSHPNE-UHFFFAOYSA-N 407.492 1.070 30 10 HDEE C=CC1(CC(=O)N[C@H]2CN(C(=O)OCC)C[C@@H]2CO)CN(C(=O)OC(C)(C)C)C1 1304848386 UHDLBJMGYLFXJW-CABCVRRESA-N 411.499 1.365 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC)C(=O)OC 1309443109 PDYJYZQBHJACPT-GFCCVEGCSA-N 421.855 1.158 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 1310041495 GORIAZLVKPJIEU-IRXDYDNUSA-N 423.535 1.988 30 10 HDEE C[C@@H](NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)[C@@H]1CCN(Cc2ccccc2)C1 1312380569 GCFHEBCECPGGQO-RBAQFSTRSA-N 416.547 1.477 30 10 HDEE C=CCn1cc(CNC(=O)N2CC[C@@]3(C2)CN(C(=O)OC(C)(C)C)CCO3)nn1 1312898634 RCFFXTDXSXSOAP-LJQANCHMSA-N 406.487 1.386 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(C)COCCO2)C1 1314962600 SGNICSMGXFKRBM-FCHUYYIVSA-N 424.505 1.585 30 10 HDEE CS(=O)(=O)CCCCCn1c(-c2cccnc2)nnc1N1CCO[C@@H](C#N)C1 1316345154 OWSZAWXNFXYQOJ-INIZCTEOSA-N 404.496 1.284 30 10 HDEE C[C@H]1C[C@H](NC(=O)CCN/C(O)=C2\N=CC=CC2=O)c2ccsc2S1(=O)=O 1343789169 BRJVUROPTDJGHE-BMKZZQPOSA-N 409.489 1.388 30 10 HDEE C#CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](C)(C(=O)NC)C1 1358903661 FTQYNAAOWKRBDV-OAQYLSRUSA-N 409.494 1.691 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCO[C@H](c2noc(C)n2)C1 1358921055 NWBFEGPENXSCSR-HOCLYGCPSA-N 404.471 1.685 30 10 HDEE C#CCN(c1nnc(C(C)C)n1Cc1ccc(OC)c(O)c1)[C@@H]1CCS(=O)(=O)C1 1358955180 GELARUIJFZIAAK-MRXNPFEDSA-N 418.519 1.791 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCCO3)n2CC2(O)CCCC2)CC1 1359045173 YXYOWXLKSYXQLA-SFHVURJKSA-N 415.538 1.791 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(c2ccnn2C)CC1 1359055652 KYCLDAIKZIIIRG-MRXNPFEDSA-N 413.551 1.713 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(ccnc2N(C)C)C1 1359121740 GRNLIRQWFJHXQL-INIZCTEOSA-N 416.551 1.780 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CCN(c2cccnn2)CC1 1359206077 TVVYBOHTHGWEMY-UHFFFAOYSA-N 410.526 1.873 30 10 HDEE C=CCSCCn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359342538 ZWPIAXPVKPDTID-SJORKVTESA-N 409.556 1.780 30 10 HDEE CC(C)N(CCC#N)C(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1442581589 KKCJZGAVJPZMBG-BZUAXINKSA-N 413.540 1.807 30 10 HDEE C=CC1(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)CN(C(=O)OC(C)(C)C)C1 1442818482 WCDPDASXMWIVJT-KRWDZBQOSA-N 420.554 1.740 30 10 HDEE C=C(CN(C)C)C(=O)N1CCC(c2nnc3n2CCN(C(=O)OC(C)(C)C)C3)CC1 1448341833 FSBPGSYJJFJION-UHFFFAOYSA-N 418.542 1.853 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N(CC(=O)OC(C)(C)C)C2CCC2)c1 1452650470 IWRNPHUTCUCSIM-UHFFFAOYSA-N 406.504 1.935 30 10 HDEE C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)CCn1cc(C#N)c(O)nc1=O 1452759545 BEGPIAFLDYJQMY-GXTWGEPZSA-N 405.455 1.115 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@]3(COC)C(=O)OC)n[nH]2)c1C 1453371836 AXYMHGVMCHBZCM-FQEVSTJZSA-N 401.467 1.870 30 10 HDEE COC(=O)[C@H](Cn1ccnc1)NC(=O)[C@@H](CCCCC#N)NC(=O)OC(C)(C)C 1457772609 GNDNQNCJGPGOSB-CABCVRRESA-N 407.471 1.518 30 10 HDEE CC(C)(O)[C@@H]1CCN(CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1460724326 JHSUXQWZRMLRBQ-OAHLLOKOSA-N 413.478 1.548 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCCC[C@@H]2CCC(=O)OC(C)(C)C)C1=O 1461083640 GSPAEPHLZICYCD-CQSZACIVSA-N 407.467 1.466 30 10 HDEE COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)c1cccc(C#N)c1Br 1462079048 YFNNCGICKODCIO-LLVKDONJSA-N 415.265 1.123 30 10 HDEE C=CC(C)(C)NC(=O)CCc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2n1C 1463304582 LKVOUFGWGYCIKG-UHFFFAOYSA-N 420.535 1.608 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@](CO)(COC)C1 1468136602 CWDBWJZVXXQBLA-OXJNMPFZSA-N 423.535 1.141 30 10 HDEE CON(C)C(=O)[C@H](C)NC(=O)N1CCN(c2cc(-c3ccc(C#N)cc3)[nH]n2)CC1 1470956728 SUUXFMFDXKCTDN-AWEZNQCLSA-N 411.466 1.188 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2c(Cl)cccc2Br)CC1 1471450731 IGHSCDUJXHCCPX-UHFFFAOYSA-N 420.716 1.328 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(c3ccc(C#N)cc3)CC2)CO1 1471499426 VLINJQALMKDKLL-INIZCTEOSA-N 401.467 1.941 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCO[C@@H](c2ccc(C#N)cc2)C1)S(C)(=O)=O 1473838790 LJWGTLKYLWYFEF-LJQANCHMSA-N 422.551 1.108 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2ccsc2)n1C[C@@H]1CCS(=O)(=O)C1 1504886565 FXRIRRYFDGSEKK-INIZCTEOSA-N 423.564 1.732 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nnc(C)s1 1507516579 LKYZZLJEWDHFHI-NWDGAFQWSA-N 411.557 1.139 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CCS(=O)(=O)N(C)C 1507536029 AACLLFUDIKHZBX-RHSMWYFYSA-N 419.507 1.140 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(C(C)C)C1 1507654340 ZCPJWNDTGOZNNV-MOPGFXCFSA-N 417.579 1.373 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)C 1507667161 JQCMUTLBRVHVOF-UHFFFAOYSA-N 410.478 1.241 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1C[C@H]1CCC[C@H](O)C1 1507711078 ZWBSGBWFYSWUDZ-HOTGVXAUSA-N 415.494 1.643 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2ccsc2)CC1 1507718496 DTDFFXLURKEROI-FQEVSTJZSA-N 401.536 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)(C)C)n2CCNC(=O)C(C)C)CC1 1507742098 ARGJFJZGHDOTJT-UHFFFAOYSA-N 416.570 1.605 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(C(=O)OC)CC1 1507759720 MVOWIQWBHWVCLN-IRXDYDNUSA-N 422.551 1.758 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C(=O)OC)CC1 1507984104 UBZYNPKKAQHIHJ-HNNXBMFYSA-N 411.528 1.281 30 10 HDEE C=CCN(c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1NC(=O)CC1(C)C)C1CC1 1507988765 VOBNSBSYCMVYMP-KKSFZXQISA-N 403.527 2.000 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1C[C@H](C)O[C@H](C)C1 1508092767 RBWQEWDMYAEDCE-IYBDPMFKSA-N 410.478 1.645 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CCC[C@@H](COC)C1 1508143819 KSZNYRLZJYPMBU-QGZVFWFLSA-N 419.551 1.728 30 10 HDEE CC(C)c1nnc(N2CCN(C(C)C)CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1508997915 VNEZYBDXLCIWOC-HTXNQAPBSA-N 401.515 1.458 30 10 HDEE C[C@@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[C@@](F)(C#N)C2)COCCO1 1510342215 FRGKULSETURXOG-RTBURBONSA-N 415.429 1.173 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2CCN2CCSCC2)CCOC1 1516127486 ASVUEUDOVFXEIA-QFBILLFUSA-N 408.572 1.575 30 10 HDEE CCOCc1nnc(N2CCCC3(CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1516573315 RZWKIORHIQTGOU-ZCXUNETKSA-N 400.483 1.721 30 10 HDEE CCOCc1nnc(N2CCN(c3nccnc3C#N)C[C@@H]2C)n1[C@@H]1C[C@H]1CF 1516593042 WKHNNKFOFGCVFC-OFQRWUPVSA-N 400.462 1.722 30 10 HDEE CN(C)C(=O)CCn1c(N2CCO[C@H](C#N)C2)nnc1C1(c2ccccc2)CCC1 1516969012 JGTVCMGRVCRBDY-GOSISDBHSA-N 408.506 1.955 30 10 HDEE COCCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(C#N)o2)CC1=O 1519210026 JKDSTLMWJRIBSC-UHFFFAOYSA-N 409.450 1.092 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1C[C@H]1CCOC[C@H]1C 1519448299 GRJQJTNCCSVQHH-SFFUCWETSA-N 405.499 1.403 30 10 HDEE N#Cc1c(Br)cccc1OCC(=O)N1CCN(c2ncc(F)cn2)CC1 1522051009 FZPVWRUIFFBTEO-UHFFFAOYSA-N 420.242 1.977 30 10 HDEE C=CCn1cc(C(=O)NCC(=O)Nc2ccc(I)cc2)nn1 1525812906 WYKAXVNQQAXXHU-UHFFFAOYSA-N 411.203 1.437 30 10 HDEE Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CC#N)c3ccccn3)CC2)cn1C 1530819918 IDOWJVNSBUKNAZ-UHFFFAOYSA-N 402.480 1.081 30 10 HDEE C#CC[C@@H](COC)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC3)CC1 1534145474 JPFTZXILHYOTML-IBGZPJMESA-N 404.532 1.731 30 10 HDEE CCOC(=O)c1cnn(CCC#N)c1NC(=O)[C@H]1C[C@H]2CC[C@H]1N(C(=O)OC)C2 1534447933 MXTRJLTZPOHREB-VNHYZAJKSA-N 403.439 1.779 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 1535417077 FTANFXKYOSXHHK-QFIPXVFZSA-N 422.441 1.522 30 10 HDEE CC(=O)CCc1ccc(OCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)cc1 1536179097 BWEFXSOKOGSFAN-PXNSSMCTSA-N 404.488 1.374 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CCOCC1 1536972237 PHFLRUTXHBDDMB-GOSISDBHSA-N 413.474 1.920 30 10 HDEE COCCOCC(=O)NC1CCC(C(=O)Oc2c(C)nn(CCC#N)c2C)CC1 1537504335 HGTUTMJPYYZTHP-UHFFFAOYSA-N 406.483 1.657 30 10 HDEE COc1ccc(-c2noc(CCC(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)n2)cc1 1538761030 OCQYOZQNFWNNLR-IFXJQAMLSA-N 416.459 1.075 30 10 HDEE C=CCN(C(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1)[C@H](C)COC 1538864315 DJYWTJFVSUOQFO-MRXNPFEDSA-N 423.535 1.203 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1nnc2n1CCCCC2 1539037059 ATRSZVFJHGBNSL-GJYPPUQNSA-N 413.526 1.826 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C1CCCCC1)N(C)C)[C@H]1CCS(=O)(=O)C1 1539205348 GZDYDUWRFLMRFA-OALUTQOASA-N 407.584 1.724 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCC(=O)N(C)C)[C@H]1CCS(=O)(=O)C1 1539221066 NHXDRBQMDVBNLF-KRWDZBQOSA-N 421.567 1.431 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)CC)CC1 1539461591 IHPSBUOBPBJCGH-NRFANRHFSA-N 401.486 1.912 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC)n2CCCCCS(C)(=O)=O)CC1 1539482591 NGBFDMRXRUVOMD-UHFFFAOYSA-N 409.556 1.021 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCOCCN(C)C 1539542236 WMURCOAENQYYHC-YADHBBJMSA-N 419.570 1.889 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](CCC)C1 1539750541 ANQQNNOBQHKGIY-IAGOWNOFSA-N 412.556 1.778 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1540034098 WIGASYBZRXKVOZ-CVEARBPZSA-N 420.514 1.537 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](CC(N)=O)C1 1540872509 RMUOEUUJOSELPG-KRWDZBQOSA-N 410.522 1.571 30 10 HDEE C=CCNC(=O)Cn1c(COc2cc(C)ccc2C)nnc1N1CCNC(=O)CC1 1540875037 ZUGKZOYXSDXHSP-UHFFFAOYSA-N 412.494 1.102 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(C)(C)C)n2CCN2CCN(C(C)=O)CC2)C1 1540882819 OPKAZDGZCNBDJS-SFHVURJKSA-N 404.559 1.521 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C)C1 1540900465 WNDOCFVVRLHRDM-ZDUSSCGKSA-N 411.915 1.819 30 10 HDEE Cn1cccc1C(=O)N1CCN(c2ccc(C#N)c(C(F)(F)F)c2)C[C@H]1C(N)=O 1548369312 YAUSHFOXNBILRS-INIZCTEOSA-N 405.380 1.732 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1CC[C@@H]1CCO[C@@H](C)C1 1555556713 GWGFEWYPHFUZKQ-BBWFWOEESA-N 404.515 1.801 30 10 HDEE COCCOc1ncccc1Cn1c(-c2cnccn2)nnc1N(C)[C@H](C)CC#N 1555687654 SYWSULTZQIXAJC-OAHLLOKOSA-N 408.466 1.942 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CCC(=O)N2CCCCCC2)CCO1 1555993500 PHFUEVIFMALBCQ-MSOLQXFVSA-N 416.526 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)N2CCN(Cc3cc(C#N)ccn3)CC2)CC1 1560013999 IINPDFNDGDBEBR-UHFFFAOYSA-N 414.510 1.744 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCCS(=O)(=O)CCc1ccccc1 1564641607 ANDAUYQFWHULDD-UHFFFAOYSA-N 408.520 1.630 30 10 HDEE CO[C@]1(CNC(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCS(=O)(=O)C1 1565005247 OJPKYECJQXKUCK-FQEVSTJZSA-N 420.535 1.026 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](O)COc1ccc(I)cc1 1566338874 SOYDTPWPRIYUAJ-CFVMTHIKSA-N 417.243 1.738 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@](=O)CC 1587621094 OJMAPEOJYYRCOY-IZPCHGGPSA-N 412.519 1.419 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1CC1(N2CCOCC2)CC(OCC)C1 1587632357 KWEHDRTYXJUEFP-BXRCABCMSA-N 417.554 1.510 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1587632795 OVRVSQHDKVJJIB-WMQCIHAUSA-N 409.534 1.855 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(CC(F)(F)F)C2=O)[C@H](C#N)C1 1587635545 NYXRUQYTEFVSGO-CHWSQXEVSA-N 418.416 1.759 30 10 HDEE C#CCCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1587798579 MDCIPVZIRVEMIA-RBUKOAKNSA-N 414.554 1.676 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCC(=O)NC(C)C)[C@H]1CCS(=O)(=O)C1 1588029281 FNVSCBDPIWWKFT-CVEARBPZSA-N 409.556 1.333 30 10 HDEE C#CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCC)[C@@H]1CCS(=O)(=O)C1 1588035064 OWZWSQOYWGVTKL-YLJYHZDGSA-N 424.567 1.746 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCCN(C)CC(F)(F)F)CC1 1588811145 AUWIIEKUBOTGFV-MRXNPFEDSA-N 414.476 1.421 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CO)c1 1589150122 CCWADBQWVSTAHP-MGPUTAFESA-N 417.535 1.421 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Nc2ccn(C)n2)nnc1[C@@H]1CCS(=O)(=O)C1 1589580234 NHSYDJWWTQXTMW-LZWOXQAQSA-N 406.512 1.639 30 10 HDEE C=C(Cl)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)CCNS(C)(=O)=O 1593833771 DLVQUOREIOAMAZ-UHFFFAOYSA-N 414.875 1.591 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C#N)o2)CC1 1594194417 VXYPZSAVNKYZTC-ZDUSSCGKSA-N 404.496 1.804 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O 1595798249 OCRMEXGMANMPKW-MRXNPFEDSA-N 406.508 1.725 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccccc2C)nnc1N1CC[C@@H](C)[C@@H](O)C1 1595804899 HUJHYNVEPIQKNJ-MJGOQNOKSA-N 418.563 1.985 30 10 HDEE C=C(CCN(C)C)C(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)C1 1597039528 PQKUVQBRIZMDSK-SFHVURJKSA-N 422.570 1.812 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 1597216499 DNERSRVJGBCHRM-UHFFFAOYSA-N 412.467 1.813 30 10 HDEE C#CC[C@]1(C(=O)NC[C@@H](C(=O)OC)[C@H]2CCOC2)CCCN1C(=O)OC(C)(C)C 1607759587 CBMUNCDZPUZHRA-GCKMJXCFSA-N 408.495 1.721 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1C[C@]1(C)CN(C)C1=O 1611315635 ZEHLLMCNCNIHRD-VFNWGFHPSA-N 406.494 1.733 30 10 HDEE CSCC[C@H](C(=O)NCc1nc(C#N)cs1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1611469883 LTKNRXAFPISWFO-MELADBBJSA-N 406.533 1.928 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC[C@H](CO)O1 1614071788 SYVUZHZIMWQXRM-RCCFBDPRSA-N 410.478 1.071 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1614974658 HIWNYQICEBTZFL-OAQYLSRUSA-N 423.477 1.374 30 10 HDEE C=CCN1CCC(NC(=O)[C@H](CCCC)NC(=O)[C@H](C)NC(=O)C(C)(C)C)CC1 1616330968 NKHGBJIQXCGFBP-WMZOPIPTSA-N 408.587 1.979 30 10 HDEE C#CCOc1cccc(NC(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)c1 1617272388 CJZZQBAANCVSBD-QGZVFWFLSA-N 408.863 1.630 30 10 HDEE COC1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@H](C#N)C2)CC1 1619481719 KKUFIRCEZZSUKU-MNAZLIDISA-N 423.539 1.114 30 10 HDEE C[C@@H]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cn2C1 1624062042 IUVLUQFGSJYIFC-OAHLLOKOSA-N 413.503 1.484 30 10 HDEE C#CCOc1ccc(CNC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)cc1 1624395804 YNJVGPRRFWBVMR-LJQANCHMSA-N 419.437 1.245 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@H](CO)c1ccc(Cl)cc1)c1cc[nH]n1 1624735995 FXJFLBZCYBZQNZ-OAHLLOKOSA-N 408.842 1.539 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)C(F)(F)n1cc(-c2ccccc2)nn1 1627067964 KUWPGZYSCCDVOO-UHFFFAOYSA-N 404.421 1.569 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)c1 1628480750 DTXAODUMGPLJEP-OAHLLOKOSA-N 401.531 1.043 30 10 HDEE N#CCCN(C(=O)CCC(=O)NCc1nc(O)c2c(n1)CCOC2)c1ccccc1 1632807926 BNXIMDSVCOICOM-UHFFFAOYSA-N 409.446 1.598 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1634109393 ZZVKVJZZFBHDJN-VXGBXAGGSA-N 409.516 1.187 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCC#N)C(=O)N1CCN(CCn2cncn2)CC1 1634355427 GSRJBCNVDSMDII-MRXNPFEDSA-N 405.503 1.009 30 10 HDEE COc1nn(C)cc1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 1638964372 FSSBWSNUEJJTEH-UHFFFAOYSA-N 408.466 1.500 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 1641574619 PVFFNQLWXVYQIE-LBPRGKRZSA-N 423.834 1.773 30 10 HDEE COC(=O)C1(C#N)CCN(CC(=O)NC2CCN(C(=O)C3CCCCC3)CC2)CC1 1643109969 GXOKCNLBAWYIFI-UHFFFAOYSA-N 418.538 1.453 30 10 HDEE CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1643991069 VTTOBUWRQNOVTM-SHTZXODSSA-N 407.492 1.729 30 10 HDEE C[C@H](NC(=O)CC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OCc1ccccc1 1644096092 CPFWGJTVWJVDFJ-AWEZNQCLSA-N 415.471 1.363 30 10 HDEE C[C@](C#N)(NC(=O)CN1C(=O)c2cccc(Br)c2S1(=O)=O)C1CC1 1644283112 FHAFYFRTLVZUKF-OAHLLOKOSA-N 412.265 1.402 30 10 HDEE COC(=O)[C@]12C[C@H]1CCCN2CC(=O)N1CCN([C@@H](C#N)c2ccc(F)cc2)CC1 1644616055 AXALXFPCDWMSBE-LZNRXBQRSA-N 414.481 1.562 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCC3(O)CCC4(CC3)OCCO4)n[nH]2)c1C 1645003480 TTZCRFBITJUUCQ-UHFFFAOYSA-N 415.494 1.854 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1652331819 INUIKLPPFLCLFO-HZPDHXFCSA-N 403.483 1.632 30 10 HDEE C#C[C@@H](NS(=O)(=O)C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)cc1F 1655295640 OFBAXQCZCZXYEJ-IAQYHMDHSA-N 408.904 1.354 30 10 HDEE N#Cc1ccccc1OC[C@H](O)CN1C[C@@H]2CCCS(=O)(=O)[C@]2(C(F)(F)F)C1 1660652317 WCXMXFBVXAXJSR-ZMSDIMECSA-N 418.437 1.739 30 10 HDEE N#C[C@]12CN(C(=O)N[C@@H]3C[C@H]3c3cccc(Br)c3)C[C@H]1CS(=O)(=O)C2 1672150747 SFFWHQYWXAJUKL-MKVSYHDVSA-N 424.320 1.885 30 10 HDEE C=CCN(C(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O)[C@H](C)COC 1675466159 BOSTXTPWPQBEBV-CYBMUJFWSA-N 417.466 1.234 30 10 HDEE COC(=O)Cc1ccc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)cc1 1681226117 BZBXQCZFGMCWIW-DLBZAZTESA-N 416.478 1.960 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](O)Cc3ccccc3F)C2=O)cc1 1682022231 WGTPFIGNZCGBBR-UYAOXDASSA-N 410.449 1.701 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCc3nc(C4CCOCC4)n[nH]3)CC2)c1C#N 1684574755 FOAFEFXIAXNOSY-UHFFFAOYSA-N 416.511 1.367 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2cncn2)CC1 1689929852 GCMIBJOKZARDRX-QGZVFWFLSA-N 417.539 1.102 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)c2ccccc2F)CC1 1690133761 SGOZRXYDLJFWFU-UHFFFAOYSA-N 414.485 1.139 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1690255206 ONTVNJDMLUUQQE-SEFVSHJNSA-N 420.510 1.471 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](CN2CCOCC2)C1 1690320267 OXCHJBTYNFPIBC-RTBURBONSA-N 405.543 1.881 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690490203 SCHZZOFEJLCFLO-MRXNPFEDSA-N 409.556 1.770 30 10 HDEE C=CCN(c1nnc([C@H]2CCCOC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1)C1CC1 1690544813 BRTVHIZGQRBUNM-CVEARBPZSA-N 409.556 1.608 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2C)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1690667040 OJDQPQXVONDWEL-ZWKOTPCHSA-N 408.506 1.803 30 10 HDEE C=CCNC(=O)Cn1c(CCc2ccccc2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1690674862 IIZKRKOPUVIUTO-IEBWSBKVSA-N 413.522 1.606 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1690993301 HZKIYVCXGCQGAR-SPLOXXLWSA-N 422.493 1.532 30 10 HDEE CCOc1ncccc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)CC#N 1696176153 GBHCHUJJJZZAKB-HOCLYGCPSA-N 418.523 1.761 30 10 HDEE CO[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@](F)(C#N)C1)C(C)C 1697145754 FVSTZDSIQOMIEB-XJKCOSOUSA-N 402.496 1.001 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](COC)OC 1705490614 NPBIDTUJQCPEAC-HUUCEWRRSA-N 410.478 1.311 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1705491129 YQOFWCANTSGXDO-JKSUJKDBSA-N 415.494 1.907 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCS(=O)(=O)CC1CC1 1705504446 WTHYRJFJOIZBGK-XIRDDKMYSA-N 410.540 1.285 30 10 HDEE C#CCN(CCOC)c1nnc(CC2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1705630505 VKCSBWLCSVGZDM-GOSISDBHSA-N 423.583 1.378 30 10 HDEE C#CCN1CCN(c2nnc(CC3CCCC3)n2CC2(O)CC(OCC)C2)CC1 1705641748 RKHUAKNWZUPKBO-UHFFFAOYSA-N 401.555 1.696 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1Cc1nc2cc(OC)ccc2n1C 1705846741 QQYYTDPCCMMYNT-UHFFFAOYSA-N 409.494 1.966 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCCN(C(=O)c2ccsc2)CC1 1705904773 YFKMCNIDHQDHFG-UHFFFAOYSA-N 402.524 1.557 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)N2CCOCC2)C1 1705922269 JNDLEEJHIVHADP-KRWDZBQOSA-N 413.526 1.627 30 10 HDEE C=CCSCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCNC(=O)C1 1705940685 LXZMKCZNKDAASV-UHFFFAOYSA-N 411.329 1.891 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCS(C)(=O)=O 1706315402 AWHCCSBHABCSRX-UHFFFAOYSA-N 417.539 1.429 30 10 HDEE C[C@@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)[C@H](C)CC#N)N(C)C 1706792193 HFLHQHZXSWRYIZ-CABCVRRESA-N 418.571 1.927 30 10 HDEE C=CCNC(=O)NC(=O)CN1CC[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4C=C[C@H]3CC4)C[C@@H]2C1 1707213625 DIILJWQFPHWSIX-MTHXSQLBSA-N 400.523 1.381 30 10 HDEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1708112799 GESCAPQRLSKXQJ-FQEVSTJZSA-N 415.519 1.603 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1711507524 JNSPYDRNAONTLS-AWEZNQCLSA-N 423.477 1.372 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CC[S@@](=O)C(C)(C)C 1712565157 BQRHVLUJCDWSAH-SLBZEPJWSA-N 413.544 1.278 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(Cn2ccnc2)c1 1722291340 IWXMDTCMHHOSDH-LPHOPBHVSA-N 403.490 1.980 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(OC)CCOC1 1722358142 XUDOBPYNTDRDBL-VWKPWSFCSA-N 419.526 1.924 30 10 HDEE C#CCN(CC#C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1COc2ccccc2O1 1722373267 GNRWGGGJNVQYPO-JPYJTQIMSA-N 422.485 1.843 30 10 HDEE C=CCN(c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CC(=O)N(CCOC)C1)C1CC1 1722644264 TWVNXBCISWOZDS-MRXNPFEDSA-N 416.526 1.164 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1 1722699739 XSYAJQCUVYJMMJ-ZIAGYGMSSA-N 417.432 1.632 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCCS(C)(=O)=O 1722861727 CHCNSUGIAQMGQH-CYBMUJFWSA-N 406.468 1.884 30 10 HDEE CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2(O)CC2)CC1 1723731636 QGIJUNQURDWDDK-UHFFFAOYSA-N 410.522 1.889 30 10 HDEE C=CCOCC(=O)N1CCC2(CC1)CO[C@H](CNC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1726209385 WACFGFZHBAOKPP-UQZKUAJDSA-N 404.507 1.126 30 10 HDEE CCOC[C@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1729116057 LMAGOIBHKXWSEX-QBNCKDSPSA-N 414.510 1.620 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@]1(O)CCSC1 1730947007 TUKBPYJOGAPOFB-USJZOSNVSA-N 411.503 1.312 30 10 HDEE C#CCCCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1740590977 PKVPCIJQBRZLAB-IBGZPJMESA-N 414.554 1.678 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(-n2nc(C)cc2C)nc1 1740609225 MJPFMNIHPMOVEC-KRWDZBQOSA-N 404.478 1.544 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(S(=O)(=O)CC)CC1 1740782223 HOQISQWVMAWZOD-AWEZNQCLSA-N 416.569 1.160 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](COC)C1 1740786967 VJGOOBHGNNVCIZ-INIZCTEOSA-N 416.482 1.370 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(CC(=O)NC)CC1 1740868115 DZLJJZULHCVQMT-AWEZNQCLSA-N 412.560 1.207 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(OC2CCCC2)CC1 1740958621 RUXJXUGQPVBUAM-KRWDZBQOSA-N 416.526 1.459 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)NC)C1 1740978593 YPHVYTIYBRTRBC-MRXNPFEDSA-N 415.494 1.880 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1Cc1cnnn1C 1748828676 IEYFHXVLRNDWJB-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CC1(C(N)=O)CCOCC1 1749071256 AARDMBAXFKAYKN-OAQYLSRUSA-N 408.506 1.538 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1749130980 PBPVVTSLWNLQFK-IKGGRYGDSA-N 412.556 1.982 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCOC[C@H]1C 1749159057 NXRNCRUFQOBWJI-SJORKVTESA-N 411.572 1.303 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCS(=O)(=O)CC1 1749257957 IDTYCZZTSHDWKC-UHFFFAOYSA-N 412.899 1.950 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCOC2)n1CC(=O)N1CCN(c2ccccc2)CC1 1749489078 RCQVMYDWPVCKBV-SFHVURJKSA-N 410.522 1.753 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CCCCN1CCC[C@H]1CO 1751090086 WFBARALQYFAWCV-MSOLQXFVSA-N 417.558 1.489 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(C#N)cc2)n1CCNS(=O)(=O)CC 1760213817 SFBFDEQLQYQXHW-UHFFFAOYSA-N 410.503 1.219 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(NC(C)=O)CC1 1760287148 HZPYSPBWTFRHGG-WMZOPIPTSA-N 421.567 1.473 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(CN2CCCC2=O)nnc1N1CCC(CO)CC1 1760325197 PJESGGNQQSLAOV-FXAWDEMLSA-N 403.527 1.590 30 10 HDEE C=C(C)Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1760344400 POVVFDQJSUNPMR-RHSMWYFYSA-N 416.478 1.899 30 10 HDEE C=CC1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC(=O)N(CCOC)C2)CC1 1760401083 ZQVNLESAJJFAIN-KRWDZBQOSA-N 411.510 1.632 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N1CC=CCC1 1760520900 CWVBRORPGHARBC-UHFFFAOYSA-N 419.489 1.743 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCOC2(CCCC2)C1 1760555469 GJMXJPNDYSGWKN-QGZVFWFLSA-N 424.567 1.922 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1C[C@@H](C)O[C@@H](COC)C1 1760556013 SHFKLJRPBCWRQP-NVXWUHKLSA-N 412.556 1.777 30 10 HDEE CN(Cc1cccc(C#N)c1)c1nnc(C(=O)N2CCCC2)n1CCn1cncn1 1767085663 HWEMSJQOKRTFIQ-UHFFFAOYSA-N 405.466 1.314 30 10 HDEE CN(CCC1CC1)c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O 1768862088 DJLJKTDBIKVPJZ-UHFFFAOYSA-N 402.524 1.992 30 10 HDEE N#C[C@@H]1CC12CCN(C(=O)c1cn([C@@H]3CCCN(C(=O)C(F)(F)F)C3)nn1)CC2 1849291222 KHZDNVOJXZEKSL-QWHCGFSZSA-N 410.400 1.770 30 10 HDEE CC(C)(C)OC(=O)N1[C@@H](C(=O)O[C@H]2CON(c3ccc(C#N)cn3)C2)COC1(C)C 1852095793 SGKAFHHZQSQZPP-HUUCEWRRSA-N 418.450 1.989 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)c2snnc2CC)C1=O 1854101356 VEBWHJFXXCWIGY-HUUCEWRRSA-N 405.524 1.341 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)CCc2ccc(F)c(C)c2)C1=O 1854178791 GQJSPWVNAVLACD-OALUTQOASA-N 401.482 1.913 30 10 HDEE COc1ccc(S(=O)(=O)CCC(=O)N2CCN(CCCC#N)[C@@H](C)C2=O)cc1 1854281738 ULBVZLZGBXHVNB-HNNXBMFYSA-N 407.492 1.222 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCCN(C(=O)[C@@H]4CCCO4)C3=O)CC2)CC1 1854371057 SCLTYRNUROTXGI-OALUTQOASA-N 416.522 1.157 30 10 HDEE C[C@H]1C(=O)N(C(=O)CC2CC(F)(F)C2)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854636287 UJYOGGXOZOQMGP-LBPRGKRZSA-N 411.430 1.742 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCCCN(C(=O)CC[C@@H]3CCCO3)C2=O)C1 1854800036 ZOHLDVAOHWKWKS-LPHOPBHVSA-N 412.490 1.883 30 10 HDEE N#Cc1cccnc1C1CCN([C@H]2CCCCN(C(=O)Cn3cncn3)C2=O)CC1 1854801259 BSEBJZIYOZXZFG-SFHVURJKSA-N 407.478 1.332 30 10 HDEE CC(C)(C)c1csc(CN2CCN([C@H]3CCCN(C(=O)CC#N)C3=O)CC2)n1 1854935502 PEPFQNJVFIZMJJ-HNNXBMFYSA-N 403.552 1.989 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@H](N3CC[C@](F)(C(=O)N(C)C)C3)C2=O)cc1C#N 1855107162 BIORGTISHVFCHS-DYESRHJHSA-N 400.454 1.500 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccc([C@@H]3CCCO3)cc2)CCN1S(=O)(=O)CC#N 1856058609 MRSCKJYWHFOWBB-INIZCTEOSA-N 405.476 1.454 30 10 HDEE N#CCCN1CCC([C@@H]2CC(=O)N(C(=O)[C@H]3CC(=O)N(C4CCOCC4)C3)C2)CC1 1856156667 AJULQRCCONCHBM-MSOLQXFVSA-N 416.522 1.015 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1CCC#N 1856197459 RAFGGOOGQCYQIL-MRXNPFEDSA-N 418.519 1.448 30 10 HDEE COc1cc(=O)n(-c2ccccc2)cc1C(=O)N1CCN([C@H](C)CCC#N)CC1=O 1856421816 MXAGCSYTAUPEHO-MRXNPFEDSA-N 408.458 1.823 30 10 HDEE N#Cc1ccc(C(=O)N2CC[C@H](N3CCN(CC(=O)c4cccs4)CC3)C2=O)cc1 1856523587 AGEOCONYXPAMIK-SFHVURJKSA-N 422.510 1.861 30 10 HDEE C[C@@H](CCC#N)N1CC(=O)N(C(=O)[C@@H]2CCCCN2S(C)(=O)=O)c2ccccc21 1856684572 FZSWSLCWIPYLOD-YJBOKZPZSA-N 418.519 1.873 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCCN(C(=O)c2csc3c2CCOC3)C1=O 1856749588 GXNFYWFRTPFNRB-IAGOWNOFSA-N 417.531 1.671 30 10 HDEE N#CCCN1CCC(=O)N(C(=O)c2ccc(N3CCOCC3)nn2)c2ccccc21 1856973471 OFBFGSCBFGGAMU-UHFFFAOYSA-N 406.446 1.610 30 10 HDEE CCc1noc(CN2CCC([C@@H]3CC(=O)N(C(=O)c4ccnc(C#N)c4)C3)CC2)n1 1857062316 IATYADHEQDQYCD-MRXNPFEDSA-N 408.462 1.800 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)c2sc(C)nc2C)C1)[C@@H]1CCN(C)C1=O 1857104636 LYGDGAIVLHMECE-HZPDHXFCSA-N 404.536 1.857 30 10 HDEE Cc1cc(=NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccccc2C#N)[nH]o1 1858073667 QHBKWOLNQICQIS-KRWDZBQOSA-N 410.455 1.805 30 10 HDEE Cc1c(CCC(=O)NCCN2CCOCC2)c(=O)n2c([nH]c3ccccc32)c1C#N 1873887412 UWMYJZQYYFOEID-UHFFFAOYSA-N 407.474 1.342 30 10 HDEE CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](CCS)C(=O)O 1885475698 JOKPXNFBJRKFCY-LSDHHAIUSA-N 412.508 1.986 30 10 HDEE CC(C)(C)OC(=O)NCC#CCOc1ncnc(I)c1N 1886353903 BBWMRNISSULVAM-UHFFFAOYSA-N 404.208 1.570 30 10 HDEE Cc1noc(C)c1C(=O)N1CCC(OCC#CCN2CCN(C(C)C)CC2)CC1 1889279986 NYKGRUFUISFHEO-UHFFFAOYSA-N 402.539 1.942 30 10 HDEE CC(C)(C)OC(=O)NC(C)(C)[C@@H](O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1985179292 OHBXNQIQWASCKG-MSOLQXFVSA-N 416.522 1.887 30 10 HDEE C#CCN(C)C1CN(C(=O)[C@@H](CN(C)Cc2ccccc2)NC(=O)OC(C)(C)C)C1 1989116572 SQDMKZAPIXCYRG-HXUWFJFHSA-N 414.550 1.788 30 10 HDEE COC1(C#N)CCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)CC1 2108229364 DSJMBLGUGPZBTE-GOSISDBHSA-N 423.466 1.345 30 10 HDEE CN(C[C@H]1CCCN1C(=O)OC(C)(C)C)S(=O)(=O)CC1(C#N)CCOCC1 2174781971 KZPJSZUWGSXXFX-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CC(C)(C)OC(=O)N1CCN([S@@](C)(=O)=NS(=O)(=O)CC2(C#N)CCC2)CC1 2174786815 NNIZGAGYJYDRTA-SANMLTNESA-N 420.557 1.576 30 10 HDEE CN(C(=O)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1)[C@@H](CC#N)C(F)(F)F 2181107059 CJOPFSNQJHVTCK-HZMBPMFUSA-N 413.418 1.371 30 10 HDEE CC(C)(C)OC(=O)N1CC[S@](=O)(=NS(=O)(=O)N2CC[C@@H](C#N)C2)C(C)(C)C1 2189355290 GHOUVASVPUTCJC-WHDAMIPWSA-N 420.557 1.574 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@@H]1NC(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2243370843 SYPOKYPXGRGNAD-GJZGRUSLSA-N 403.288 1.776 30 10 HDEE Cn1cc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2247822003 BCZUCLVLZCFVGY-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247859926 ZAWUXOCTFHFRQU-JOCQHMNTSA-N 418.303 1.561 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCC(N)=O)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2250003069 SIMFWFUDUFRKEU-CQSZACIVSA-N 423.319 1.286 30 10 HDEE N#Cc1ccccc1NS(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O 2258181488 OKINYFTUUFCZDV-MRXNPFEDSA-N 403.416 1.680 30 10 HDEE CCn1ncc(NS(=O)(=O)N2CCC(C#N)CC2)c1I 2280053319 WIEBBUDWQZJCRR-UHFFFAOYSA-N 409.253 1.400 30 10 HDEE CC1(C)OB([C@@H]2C[C@@H]2C(=O)NCCCNS(=O)(=O)C(F)(F)F)OC1(C)C 2281931236 SKSVOCQKFBUQAV-VHSXEESVSA-N 400.228 1.414 30 10 HDEE Cc1sc(C(=O)N[C@@H](C)CS(C)(=O)=O)c(C)c1B1OC(C)(C)C(C)(C)O1 2281932884 RSSULHXBKVMNBU-JTQLQIEISA-N 401.359 1.827 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)CC(F)(F)CO 2282325258 BRYRYCULIMKEPN-UHFFFAOYSA-N 411.301 1.604 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@@](C)(=O)N3CCCC3)s2)OC1(C)C 2282333346 NHBSCPZKDUORDD-RUZDIDTESA-N 420.387 1.845 30 10 HDEE C[C@@H]1CCC[C@@]1(O)CNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282340039 ANTYWKAIBOSLAK-SJKOYZFVSA-N 401.359 1.877 30 10 HDEE CC1(C)OB(c2cccc(C(=O)NCCCS(N)(=O)=O)c2Cl)OC1(C)C 2282409617 LEKSCBLFCLILLJ-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE C[C@@H](CCO)CNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282504916 WBVBATQCRAONEG-LBPRGKRZSA-N 403.737 1.936 30 10 HDEE CCN1CC[C@@H](NS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)sc2C)C1 2282835657 XRRAQOBLTYXXGA-CYBMUJFWSA-N 400.375 1.728 30 10 HDEE C[C@@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284411340 IZUSRPJZRWXCJM-PWSUYJOCSA-N 401.315 1.674 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)N[C@H]2CC[C@H]2CC(=O)O)OC1(C)C 2284414987 VCKMHJBQEJKNDT-JQWIXIFHSA-N 401.315 1.579 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N(C)CCNC(=O)OC(C)(C)C)n1C 2300264890 FJFZQQABDHXZEL-UHFFFAOYSA-N 422.335 1.624 30 10 HDEE CC(C)(C)OC(=O)N[C@]1([C@H](N)C#CC(C)(C)S(C)(=O)=O)C[C@@H]2OCCC[C@H]21 2365203404 SRBHWVCAQHSAAO-NXEZDXNNSA-N 400.541 1.603 30 10 HDEE N#C[C@H]1CN(C2(C(=O)O)CCN(C(=O)OCc3ccccc3)CC2)CCN1C1CC1 2371366055 OLCIYOUMIGJSRD-IBGZPJMESA-N 412.490 1.915 30 10 HDEE N#Cc1cccc(Cn2nc3ccc(S(=O)(=O)N4CCSCC4)cn3c2=O)c1 65198839 SGHBSVDMNZMWNR-UHFFFAOYSA-N 415.500 1.153 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N(C)C[C@H]3CCCO3)nnc12 110541953 USVKGNKNCSVWPR-CQSZACIVSA-N 413.503 1.960 30 10 HDEE COc1cccc(CN2C(=NC(=O)[C@@H]3CCCO3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 254851615 PWFODRFQFCSELM-PMPSAXMXSA-N 410.517 1.471 30 10 HDEE C=CC[C@H](CO)NC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1 410071322 RVUOUYOBXWKWBK-MRXNPFEDSA-N 418.471 1.925 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C 437488175 CSIXWNOZOFWOSF-QFBILLFUSA-N 408.520 1.727 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 437885865 DFBNSCGQBHRUQQ-BIBXISHDSA-N 415.519 1.746 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCN(CC#N)C2)C1 479903149 PEPDMTNFOTXMPD-DLBZAZTESA-N 423.539 1.044 30 10 HDEE C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)cc1 483502515 LTNDDZSVUQEMFU-GDBMZVCRSA-N 416.507 1.896 30 10 HDEE O=C(Nc1cccc(C#Cc2ccccn2)c1)C(=O)N1CC[C@](O)(C(F)(F)F)C1 494397103 LKXIVGLCASZBFW-LJQANCHMSA-N 403.360 1.946 30 10 HDEE C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CN 504543741 XEXJOPLDBYLHLY-WIDXQZQASA-N 419.518 1.291 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(-n4cnnn4)c3)CC2)cc1 507492584 PPVYLGMTUYDDIO-UHFFFAOYSA-N 410.459 1.766 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(F)F)[C@H](CC)C1 508711951 GFMUDYPJZWVSIL-ZIAGYGMSSA-N 403.499 1.532 30 10 HDEE C[C@@H](CC#N)N(C)S(=O)(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 509408523 ABDJCZOMXXXCLK-CCLIWJKGSA-N 408.568 1.826 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCC(Oc2ccc(C#N)cc2)CC1 510341657 LJKTUVWNLLFMEE-MRXNPFEDSA-N 406.508 1.535 30 10 HDEE COc1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(C3CC3)c2=O)cc2c1OCO2 522110407 QTWAUWSZGJBPSB-UHFFFAOYSA-N 424.478 1.854 30 10 HDEE COC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)c1 522518849 GMDIFLGBGKQSPE-UHFFFAOYSA-N 406.442 1.941 30 10 HDEE CC[C@@](C)(C#N)NC(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 523355510 ZCKNLLLRAXZCRL-HNNXBMFYSA-N 416.297 1.611 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(F)c(C#N)c2)CC1 537425939 NXSYIQXHKFABAZ-UHFFFAOYSA-N 403.501 1.426 30 10 HDEE Cn1ccnc1CN1CCN(S(=O)(=O)c2cccc(Br)c2C#N)CC1 561506722 YBIYHOOXVQIXFA-UHFFFAOYSA-N 424.324 1.561 30 10 HDEE CCOC(=O)[C@@H](CNC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1 582306792 FINDNIYATWMYFL-SFHVURJKSA-N 415.471 1.300 30 10 HDEE C[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H](c2ccc(F)cc2)O1 582756466 SDSPEZMPLTYHBL-LIRRHRJNSA-N 417.462 1.964 30 10 HDEE CCN(C(=O)C(=O)NCc1ccc(C#N)cc1F)[C@@H]1CCN(c2ccccc2)C1=O 586864814 HRNZCQCZQCTRDE-LJQANCHMSA-N 408.433 1.968 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(F)c1 609196273 KBCFNXNRNHALTF-UHFFFAOYSA-N 423.491 1.701 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 610115846 RNSHJSCBIOVLTE-NRFANRHFSA-N 405.502 1.893 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@H]1CCCO1 679755636 YOIMIJCLAFFSGA-QGZVFWFLSA-N 409.511 1.746 30 10 HDEE N#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F)c1ccc(F)cc1 727849484 BRJSHEMDHXMDFT-SFHVURJKSA-N 421.425 1.980 30 10 HDEE COCCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccnc3ccccc23)c1=O 731351991 BHWIEBRCZXNEBS-UHFFFAOYSA-N 419.506 1.977 30 10 HDEE CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])o1)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 732663702 CNJPWAQEOZHCJT-ZIAGYGMSSA-N 421.479 1.238 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)NC)n(-c3ccccc3CC)c2=O)cn1 735068497 IZLUCMIWAACRGZ-UHFFFAOYSA-N 421.526 1.317 30 10 HDEE Cc1cc(NC(=O)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c2cccnc2c1C 743916888 AMFNXOWTURIPRG-HNENSFHCSA-N 407.430 1.433 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC/C=C(\C)C(=O)OC 748163659 RSCUZNYMCNZPJL-FQNOHDAGSA-N 408.476 1.946 30 10 HDEE N#C[C@@H]1CN(C(=O)C(=O)Nc2cccc3c2CN(c2ccccn2)C3)CCN1C1CC1 757167461 YDRKZGCSGHPWPU-GOSISDBHSA-N 416.485 1.739 30 10 HDEE CN(CC(C)(C)S(C)(=O)=O)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N 758771250 ZWCDJXVJSQEOHC-QWHCGFSZSA-N 402.517 1.210 30 10 HDEE Cc1c(Br)cc(S(C)(=O)=O)cc1C(=O)OCC(=O)NCCC#N 767829536 HVIGYMCESKPAQX-UHFFFAOYSA-N 403.254 1.348 30 10 HDEE CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)Cc1cnc2ccc(C#N)cn12 768993628 XKDYFYGUMSKXJV-UHFFFAOYSA-N 412.494 1.717 30 10 HDEE C#CCN(C(=O)Nc1ccccc1OCCn1ccnc1)[C@H]1CCS(=O)(=O)C1 774035723 KCCPYQSMQTYKPA-INIZCTEOSA-N 402.476 1.616 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc3cnccc23)c(=O)n1C1CC1 782922544 ISEMBVZTVAQILU-UHFFFAOYSA-N 402.479 1.598 30 10 HDEE Cn1nc(-c2ccc(Cl)s2)cc1NC(=O)C(=O)N1CCN(C2CC2)[C@H](C#N)C1 787491105 CQEUBJHQKYVUCS-GFCCVEGCSA-N 418.910 1.939 30 10 HDEE C#CCn1ccc(CN(CCOC)[C@H]2CC(=O)N(CCc3ccccc3F)C2=O)n1 788331108 LGLIZPXDTFBFLQ-FQEVSTJZSA-N 412.465 1.474 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)n1 788693414 BPDCFGWNKOOJOY-UHFFFAOYSA-N 420.491 1.321 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H](C#N)C1 796487379 TYTWGZNCGMTUEQ-GJZGRUSLSA-N 405.451 1.600 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCCO2)CCN1C1CC1 802692939 NENCFWVYGLXJIN-DLBZAZTESA-N 422.493 1.281 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C#N)cc1F 804161811 CDVSYIRCAHEMHL-OAHLLOKOSA-N 404.442 1.829 30 10 HDEE N#CCN1CCC(NS(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CC1 804987478 BOIODNJQTOQMOT-UHFFFAOYSA-N 411.427 1.246 30 10 HDEE CC[C@H](C#N)Oc1cccc(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)c1 805112428 BEIQTSHSMVNCKJ-IAGOWNOFSA-N 423.539 1.438 30 10 HDEE C#CC[C@H](Cc1ccccc1)NC(=O)N(C)CCOc1ccc(S(N)(=O)=O)cc1 814336309 XYLBGYOETZXLQW-GOSISDBHSA-N 415.515 1.989 30 10 HDEE C#CCn1cc(CNC(=O)c2n[nH]c3ccc(I)cc23)cn1 816372424 DNGQTFFXRQNUOK-UHFFFAOYSA-N 405.199 1.927 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@@H](C#N)C(=O)NC2CCCC2)cc1 917041401 JCMFLUKMPFUMGT-GOSISDBHSA-N 421.519 1.864 30 10 HDEE CC(C)c1noc(CCCNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)n1 921053845 XZNIZHRNNGHBKM-UHFFFAOYSA-N 405.480 1.371 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC/C=C/c2ccc(Br)cc2)C1=O 1129298424 UXVQWDAYOQMFSE-ONEGZZNKSA-N 406.236 1.555 30 10 HDEE C#CCO[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1130700615 FGXZSMUTGFRFHC-FRRDWIJNSA-N 406.401 1.405 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCN(C4CCC4)C3=O)CC2=O)cc1Cl 1132028042 ODYLWSDEONTMIT-CXAGYDPISA-N 400.866 1.834 30 10 HDEE C=C(C)C[C@@H](NC(=O)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1)C(=O)OCC 1133157869 UGXKGTFSIFIITQ-CYBMUJFWSA-N 403.391 1.876 30 10 HDEE Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1134055931 HNZJGAQKUORXAF-WFASDCNBSA-N 404.414 1.002 30 10 HDEE COc1ccc(NC(=O)CSCC(=O)Nc2nc3n(c2C#N)CCOC3)cc1 1135006115 PKRXAZMFVLXKBN-UHFFFAOYSA-N 401.448 1.604 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ncccc2C1 1138070769 CGRTYZUWMDLHQY-UHFFFAOYSA-N 400.460 1.322 30 10 HDEE CN(C)[C@H]1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 1141411661 HMAIVPXCLHNMSQ-MSOLQXFVSA-N 404.536 1.512 30 10 HDEE CCOCn1nc(C)c(C[C@H](C)C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1C 1144429615 XIKSXGOTDCVKQD-HGENEIFLSA-N 403.483 1.315 30 10 HDEE CN(CC(=O)N1CCC(c2ccc(C#N)cn2)CC1)C1=NS(=O)(=O)c2ccccc21 1148313662 ADIDFIVTTGQWLI-UHFFFAOYSA-N 423.498 1.740 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NCC(OC)(OC)c2ccccn2)cc1 1152494725 AXUXOOYDNDXOKT-UHFFFAOYSA-N 405.476 1.422 30 10 HDEE COCCCn1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)n1 1158570369 GUHYXTORXNWCED-UHFFFAOYSA-N 405.480 1.591 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)OC(C)(C)C)C2)cc1 1160879304 ARTPHRGZOKTTMY-FQEVSTJZSA-N 406.504 1.792 30 10 HDEE C=CCC[C@H]1CCCN1CC(=O)NN1C(=O)N[C@@](C)(c2ccc(OC)cc2)C1=O 1176771630 OOWBWOMKJABBGI-KKSFZXQISA-N 400.479 1.924 30 10 HDEE N#Cc1cn(C2CN(C(=O)[C@@H]3CCCN3C(=O)OCc3ccccc3)C2)c(=O)nc1O 1181002138 ZNOKUSVRTMPMNU-KRWDZBQOSA-N 423.429 1.005 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1cnn(C2CCCC2)c1 1188222178 GYBFIEBAGXWPLT-AWEZNQCLSA-N 401.496 1.559 30 10 HDEE CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1234532989 PMSXHHXRUBQUKD-ZDFLXESQSA-N 411.911 1.996 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@]1(O)CCc2ccccc21 1286272299 AXRNMHWPPMFKBU-AUSJPIAWSA-N 417.535 1.180 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@@H]1COCCO1 1286272843 DUJZJSPZFYXAFH-RHSMWYFYSA-N 417.897 1.735 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCOc1ccc2c(c1)OCO2 1286415944 SRILMRMQSUOFNP-UHFFFAOYSA-N 423.473 1.687 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](N2CCCC2)C1 1286692087 AFEYZDBLHJKAEG-DLBZAZTESA-N 410.588 1.919 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)cc1 1286794309 CFVBYBBSGXWPSE-HNNXBMFYSA-N 405.524 1.670 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2csc(C)n2)nnc1N1CCOC[C@@H]1C 1286822447 KJYPDFMCDPACLT-ZDUSSCGKSA-N 411.553 1.460 30 10 HDEE Cc1cscc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1290354452 BOGUMZWKIFIDMX-LRDDRELGSA-N 412.516 1.749 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)[C@]3(N(C)C)COc4ccccc4C3)CC2)c1C#N 1296472505 UEAGSLAWYHZQGS-JOCHJYFZSA-N 408.506 1.184 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OCCOC)CC1 1300380589 CQLBFOFQGNQAFP-UHFFFAOYSA-N 412.494 1.971 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCc2nccn2C1 1300472063 WLSHAOAAZSJREC-OAHLLOKOSA-N 409.519 1.798 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCCN(C(C)C)C(C)C)CC1 1300681001 JBERINFBEHAYMW-UHFFFAOYSA-N 417.602 1.680 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(OC)c3)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1300688106 APEROGAHIWRYQL-IBGZPJMESA-N 422.533 1.624 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC2CC2)CC1 1300762086 HGLHUUJHRXBLLS-QGZVFWFLSA-N 423.608 1.079 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](c2cnn(C)c2)C1 1300971857 BOBAGURQQSVAFS-INIZCTEOSA-N 401.515 1.736 30 10 HDEE C=CCCOCCn1c(C2CCC2)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1301253293 XZNRENQSFUYHQJ-UHFFFAOYSA-N 416.570 1.883 30 10 HDEE C=CCCOCCn1c([C@H]2CCCO2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301262440 TWCVWGMJCUCMTC-JKSUJKDBSA-N 418.498 1.195 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCCn2cc(C)nc21 1301422321 GYROINXYZNPPIJ-SJORKVTESA-N 413.526 1.951 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(=O)N(C)C)C1 1301545355 GHILWRVOIPUKKU-INIZCTEOSA-N 415.494 1.832 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccccc2F)n1C[C@]1(C)CN(C)C1=O 1301806080 XJIMQNSURPBZHV-FQEVSTJZSA-N 400.458 1.929 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2ccc[nH]2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1301958481 BZCYRICIXXFLBS-WMZOPIPTSA-N 412.542 1.812 30 10 HDEE CC(C)(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC[C@@H]1COCCO1 1302070086 WSEUTQAMZKJGFV-MRXNPFEDSA-N 412.494 1.916 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](O)Cc1cccc(Cl)c1)c1cc[nH]n1 1303285563 BOUNIAOKPKEETP-AWEZNQCLSA-N 408.842 1.067 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@]3(CCSC3)C2)CC1 1307867357 PTHZPQSJLSFKQM-QFBILLFUSA-N 406.577 1.665 30 10 HDEE C#CCCS(=O)(=O)N1CCn2c(Cc3cccc(Br)c3)nnc2C1 1309558136 KQWYYSPPRJIQTF-UHFFFAOYSA-N 409.309 1.800 30 10 HDEE Cc1ccc(CNC(=O)NC[C@@H](NS(=O)(=O)N(C)C)C2CCCC2)cc1C#N 1312941771 HXPKBJBJXCIMQD-GOSISDBHSA-N 407.540 1.621 30 10 HDEE CCOCCN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@]1(C)CN(C)C1=O 1314471152 ZJHMDUMDHBYYDV-NRFANRHFSA-N 412.494 1.680 30 10 HDEE N#Cc1ccc(OCc2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCCCCO)cc1 1316534054 NBYCFOKCVVQRLC-HKUYNNGSSA-N 424.505 1.606 30 10 HDEE CN1CC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)[C@@H]1c1ccc(F)cc1 1323955201 RBLKIWIAOWDVCL-QUCCMNQESA-N 416.478 1.537 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(CS(C)(=O)=O)CC1 1358873925 PXYUNIHLFAZHHN-UZLBHIALSA-N 424.567 1.601 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC1CCS(=O)(=O)CC1 1358980160 LVKCFQMRCSCDCI-UHFFFAOYSA-N 414.506 1.906 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H]1CCCS(=O)(=O)C1 1359021975 ITAQGGBVBCPYJB-INIZCTEOSA-N 403.508 1.251 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C(C)C)N1CCOCC1 1359024301 KHVCQDGYRBZBLY-PMACEKPBSA-N 419.570 1.963 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)CC)n2CC2(S(C)(=O)=O)CCCC2)CC1 1359028712 BKXRTUYVQXNZMU-QGZVFWFLSA-N 407.584 1.904 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(F)cn1 1359063850 FVZSUVRVEWURDW-SCLBCKFNSA-N 406.487 1.463 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(c2cccc([N+](=O)[O-])c2)CC1 1359298930 PQGXZUBPLVEKLR-UHFFFAOYSA-N 411.466 1.693 30 10 HDEE CC(=O)N(C)C1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2COCCO2)CC1 1359351381 ICQRYVZTUHNFCX-HXUWFJFHSA-N 424.505 1.679 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@@](F)(C#N)C1)N1CCOCC1 1359662522 BJKXLOAZVBIHIK-ABSDTBQOSA-N 406.506 1.581 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2cccc(C#N)c2)n1CCCS(C)(=O)=O 1360277480 HQTNFWIISOETSA-UHFFFAOYSA-N 418.523 1.212 30 10 HDEE CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2ccc(Br)cc2C#N)CC1 1446558349 VBSXYRAASKHXMC-KRWDZBQOSA-N 419.323 1.628 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)cc1 1451536610 XIOIRRWBYPLYIH-GOSISDBHSA-N 417.462 1.825 30 10 HDEE Cc1ccc(C(=O)N2CCC[C@@](O)(c3ccccc3)C2)cc1S(=O)(=O)NCC#N 1453480816 ACBRYIUHDUXSKH-NRFANRHFSA-N 413.499 1.921 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)CSc2nc(C)c(C)c(C)c2C#N)C1 1454454777 GZXMOBIHLZRRJJ-HNNXBMFYSA-N 410.565 1.758 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1 1455115412 OSRGZBLJGDGAOW-UHFFFAOYSA-N 415.540 1.739 30 10 HDEE N#Cc1ccc(OC(=O)[C@@]2(F)CCS(=O)(=O)C2)c(I)c1 1459655503 YZISTLFVWQOABE-GFCCVEGCSA-N 409.176 1.595 30 10 HDEE CCN(CC(=O)NC)C(=O)[C@H]1c2ccc(C#N)cc2CCN1C(=O)OC(C)(C)C 1464888597 GLVBBCROKQVMGO-GOSISDBHSA-N 400.479 1.987 30 10 HDEE Cn1cc(N2CCN(C(=O)C#CC3CCN(C(=O)OC(C)(C)C)CC3)CC2=O)cn1 1465582985 HKTNDHBIHGIDNA-UHFFFAOYSA-N 415.494 1.246 30 10 HDEE CCCCS(=O)(=O)CC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1465599967 NZZKBXSISMVPSY-UHFFFAOYSA-N 417.535 1.898 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)NC[C@@]1(O)CCOC1 1466146636 MXFSXJMYNCXYJX-UTKZUKDTSA-N 401.463 1.660 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)NCCOC)cc1 1466489791 QOJHSLDHXUFAFL-QGTPRVQTSA-N 419.478 1.850 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)N2CCO[C@@H](c3cccc(C#N)c3)C2)[C@H]1c1nccn1C 1466609921 WEVATTQQWKGBLB-HOJAQTOUSA-N 423.473 1.180 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)CC1 1470365761 DZUJWOMXEZJXSQ-OAHLLOKOSA-N 414.524 1.212 30 10 HDEE N#Cc1cccc([C@@H]2CN(C(=O)NCc3ccc(F)c(S(N)(=O)=O)c3)CCO2)c1 1479036319 IKAFSRKBQLZYTR-KRWDZBQOSA-N 418.450 1.628 30 10 HDEE C#CCN(C(=O)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)[C@@H]1CCS(=O)(=O)C1 1479168211 VYAZJDFBCOFNRK-MXASKKJJSA-N 423.332 1.919 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3c(F)cccc3F)n2C[C@@H]2COCCO2)CCO1 1505321545 CBVYSYSYDZYKOX-ZIAGYGMSSA-N 405.405 1.291 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1507513728 BFBFXRHNQNWDSJ-KKUMJFAQSA-N 424.596 1.711 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCN(S(C)(=O)=O)C1 1507526542 PMHRNHALNBRAHP-CVEARBPZSA-N 417.535 1.693 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCNC(=O)c1cc[nH]n1 1507535457 FLZSXHRYKMQOHY-CYBMUJFWSA-N 413.432 1.758 30 10 HDEE C#CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CCS(=O)CC1 1507582763 JWOJCHCSTWVHDU-UHFFFAOYSA-N 420.564 1.220 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(c2ccnn2C)CC1 1507592111 PWQYPAUHFXTZQG-QGZVFWFLSA-N 416.551 1.711 30 10 HDEE C#CCN(c1nnc(-c2ccccc2)n1CC[C@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507630211 USNQSFVUCVFWPQ-PKOBYXMFSA-N 414.531 1.998 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CCc1cccs1)[C@H]1CCS(=O)(=O)C1 1507632409 KTWMXVBOCIYATG-HOTGVXAUSA-N 420.560 1.713 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[S@](=O)CC 1507660521 AABJOSJXVIDJIS-PIIWDFAUSA-N 406.552 1.550 30 10 HDEE C#CCN(CC)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1507679559 XYUOGTKKBDAIOZ-LPHOPBHVSA-N 410.540 1.215 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCOCC2)CC1 1507720176 HTGOKHQOFCALGK-FQEVSTJZSA-N 422.577 1.983 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2C[C@](C)(O)c2cc(C)oc2C)CC1 1507732701 RRLOUCAURFPZED-NRFANRHFSA-N 401.511 1.687 30 10 HDEE C#CCSCCn1c(-c2ccc[nH]2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1507750455 VVTQOEMQWWMJGH-UHFFFAOYSA-N 422.580 1.500 30 10 HDEE C#CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC)C(=O)C1 1507754505 NBHFVNYJFLQNQQ-MRXNPFEDSA-N 407.540 1.181 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(C(N)=O)c1 1507811467 AHSHBJGXRKPSFN-AWEZNQCLSA-N 420.539 1.438 30 10 HDEE C=CCCOCCn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1507960974 WJAROVJOVNPIOZ-QGZVFWFLSA-N 413.526 1.917 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN1CC 1508039816 QYSABIZZPPIVCT-DLBZAZTESA-N 411.572 1.303 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC2CCCC2)nnc1N(C)Cc1cnn(C)c1 1508142253 ARMUQCSMMOUIOU-UHFFFAOYSA-N 406.556 1.982 30 10 HDEE C[C@H]1CCCN(CCn2c(-c3ccc(C#N)cc3)nnc2N2CCNC(=O)CC2)C1 1512223173 HPZPGLYPHFKLPE-KRWDZBQOSA-N 407.522 1.875 30 10 HDEE COc1cccc(-c2nnc(N3CCC(C#N)CC3)n2CCC[C@@H]2NC(=O)NC2=O)c1 1518367319 UEVUNXTUVQJUCJ-KRWDZBQOSA-N 423.477 1.682 30 10 HDEE Cc1cc(C#N)cc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2F)n1 1527213629 AGWBQLTYJVNPOE-UHFFFAOYSA-N 404.423 1.674 30 10 HDEE Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC(=O)Nc4ccc(C#N)cc43)C2=O)cc1 1528042844 QJTLYIDVRXVKCQ-QFIPXVFZSA-N 417.425 1.619 30 10 HDEE COc1cccc([C@H](C#N)NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)c1OC 1536346472 OALBUTPOTNHVBX-CVAIRZPRSA-N 410.430 1.378 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1539085864 SHMAKUAGKGUBIF-NTDBWNAOSA-N 401.511 1.520 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2c(C)nn(C)c2C)CC1 1539119966 PQOFKZBWSLTICT-LJQANCHMSA-N 411.554 1.868 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1cccs1 1539124725 HKSLASOVXMZZKQ-INIZCTEOSA-N 423.564 1.722 30 10 HDEE COC(=O)Cn1cc([C@@H](C)OC(=O)Cc2ccc(Br)cc2C#N)nn1 1539137912 OGGJVDYUNAHYOE-SNVBAGLBSA-N 407.224 1.932 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1CC 1539295465 AUPPXJMEMJDMGD-KRWDZBQOSA-N 413.547 1.962 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@@]1(O)CCOC1 1539417801 VAWIKHOBTDQJPU-FQEVSTJZSA-N 406.433 1.385 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539512324 BTFCPGHMVTYDTP-KRWDZBQOSA-N 413.551 1.260 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(C)C)n1CCCCN1CCOCC1 1539533792 UXAWQRDQZZBHOX-OAQYLSRUSA-N 402.543 1.521 30 10 HDEE C[C@H](CC#N)C(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1539544606 SBXRHAYEQMZSIG-BMFZPTHFSA-N 406.483 1.967 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(COCC)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1539642058 OVHGGKJGGPOVCP-BNDYYXHWSA-N 419.570 1.953 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@](C)(C(N)=O)C1 1539757912 DBBGAFVXRQFOCD-FQEVSTJZSA-N 401.515 1.434 30 10 HDEE N#C[C@H](NC(=O)c1cn(C[C@@H]2CNC(=O)O2)nn1)c1ccccc1Br 1540033147 YWWHGZSLALKDDT-CABZTGNLSA-N 405.212 1.144 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1CC1(CS(C)(=O)=O)CC1)C1CC1 1540115468 XZKRDLVVIACIJO-UHFFFAOYSA-N 407.540 1.380 30 10 HDEE CN(Cc1ccc(N2CCCC2)cc1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1540567222 DRWKKIHHBBNNHH-UHFFFAOYSA-N 412.515 1.984 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCC(=O)NC(C)(C)C)C1 1540889396 KXKITUWATBMSHE-INIZCTEOSA-N 401.515 1.765 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCN2C(=O)CC[C@H]2C1 1540900375 SXPPAIJRWGYMQK-KRWDZBQOSA-N 415.519 1.357 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCC(=O)NC1CC1 1541637290 HTDFDINUELEWEM-UHFFFAOYSA-N 423.521 1.983 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2COCCO2)CCOC1 1541725387 IEUVLJRVBQLRQP-ZYSHUDEJSA-N 409.462 1.176 30 10 HDEE N#Cc1cn(CC(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c(=O)nc1O 1543286055 DYNOEFAOZSKNMT-UHFFFAOYSA-N 407.361 1.851 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H]2CCN(c3ccccc3Br)C2=O)CC1 1544078779 MGBSICUAHURWDY-HNNXBMFYSA-N 404.308 1.970 30 10 HDEE CCOC(=O)CON=C(C(=O)Oc1ccc(NC(=O)C2CC2)cc1)c1cc[nH]n1 1544280887 NVKHFSKCHKXQIT-UHFFFAOYSA-N 400.391 1.648 30 10 HDEE COC(=O)CCSc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)CC#N)CC1 1545534861 VBPNIYQZAITTJP-UHFFFAOYSA-N 420.447 1.448 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O 1556317286 VTLIDSGQNRKAFV-RDBSUJKOSA-N 423.963 1.856 30 10 HDEE C=CCOC[C@@H](NC(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)C(=O)OC 1556375132 ANGJXGBTQLEKJE-HUUCEWRRSA-N 423.853 1.405 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)/C=C\C(=O)N2CCN(c3ccc(OC)cc3)CC2)C1 1558328598 BRFMMGKVNBRVRH-OEIFXAAASA-N 410.518 1.114 30 10 HDEE C[C@H](C(=O)N[C@H](CO)c1ccccc1I)n1cnc(C#N)n1 1558739171 CINNEHNVOFWJPN-BXKDBHETSA-N 411.203 1.165 30 10 HDEE CC(C)(C)OC(=O)NC1(CO)CCN(CC(=O)NCc2ccc(C#N)cc2)CC1 1559805087 GOJFVSMOIRJJJB-UHFFFAOYSA-N 402.495 1.526 30 10 HDEE COc1cc(-c2nc(CN3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)cs2)ccc1O 1560168415 KSOAUZPFWWGQQO-UGSOOPFHSA-N 405.501 1.894 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(c2ccc(F)cc2C#N)CC1 1564627939 ITNJQGASFQHWSD-WMLDXEAASA-N 423.514 1.247 30 10 HDEE CS(=O)(=O)[C@H]1CCC[C@H](NC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)C1 1565809600 PTWKYFGBTLNQDN-RYUDHWBXSA-N 402.469 1.209 30 10 HDEE COc1cc2ncn(CCCC(=O)NCc3ccnc(C#N)c3)c(=O)c2cc1OC 1568543077 CLWUDKGJNFVMLN-UHFFFAOYSA-N 407.430 1.777 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C(=O)OC)c2cccnc2)s1 1569316330 PUSJAMCOCDSXHE-MRXNPFEDSA-N 409.489 1.180 30 10 HDEE N#Cc1cc(C(=O)NCC(=O)NCC(=O)NCc2ccccc2)cnc1C(F)(F)F 1584136982 IPTFCBCDYMTVFW-UHFFFAOYSA-N 419.363 1.134 30 10 HDEE CN1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H]1CCN(c2ccc(C#N)cc2F)C1 1584883404 VGZLHTJSFRACGK-HTAPYJJXSA-N 416.497 1.256 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)N2CCCC2)CC1 1587797960 KPEQNHYQJHNNGG-INIZCTEOSA-N 407.515 1.934 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCSCCCO 1587974796 ATEBVXUWZHMYKA-UHFFFAOYSA-N 412.519 1.377 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1588144229 XIMFHHAOWJEYJM-ZULIPRJHSA-N 419.529 1.747 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@](C)(O)C1CCCCC1 1588559129 DJXRXDUDIILVGF-QFIPXVFZSA-N 417.554 1.931 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCCN2CC)CC1 1588923869 OMYNZZMRVMANOZ-GOSISDBHSA-N 422.537 1.185 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CCN(C(C)=O)CC1 1589558992 NEYOLDJNBRVZDH-PZJWPPBQSA-N 410.522 1.914 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](C(=O)N[C@@H](C)CCC)C1 1595536641 DBQGYWRUVTYLAQ-DOTOQJQBSA-N 402.543 1.979 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1 1597893619 SMSLMVNNXXBGDR-QWHCGFSZSA-N 409.936 1.515 30 10 HDEE C#CCN(C(=O)c1nnc(O)nc1O)[C@H]1CCOc2ccc(Br)cc21 1617601505 SQWQMJJTBGWDEB-NSHDSACASA-N 405.208 1.645 30 10 HDEE C#CCN1CCN(C(=O)CN[C@@H]2CN(Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 1620581523 FBCPRQFSNDEMFO-RTBURBONSA-N 408.468 1.416 30 10 HDEE CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccccc1N 1625996350 HEDHFBWHXAWTIG-UHFFFAOYSA-N 415.519 1.009 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Cn2cc(C=O)c(-c3ccc(OC)cc3)n2)CC1 1626032827 KARWGLRULIKXSW-UHFFFAOYSA-N 408.458 1.359 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CC(C(=O)OCC)=NN1c1ccccc1)C(=O)OC 1626204511 GNMSXJKSTLOVHD-DLBZAZTESA-N 403.435 1.045 30 10 HDEE O=C(NO)c1ccc(CNC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 1626238977 KMVHERAYUGIGOL-UHFFFAOYSA-N 417.487 1.910 30 10 HDEE Cc1cc(C(F)(F)F)n2nc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@@]4(C#N)C3)cc2n1 1627141138 YJAMALYBRBWXRL-ZUZCIYMTSA-N 413.381 1.067 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1627468955 HKTCWMMIKAIRNX-SUMWQHHRSA-N 422.931 1.438 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN(CCN(C)C)CC3)ccc2c1=O 1628887587 VOCBKSXXVNEWJW-UHFFFAOYSA-N 401.536 1.191 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)CC1 1629537380 YBPWIINXMLITSD-IBGZPJMESA-N 423.604 1.563 30 10 HDEE CC1(C)Oc2ccsc2[C@@H](NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)[C@@H]1O 1629627572 UWSRXNDJGSAEAK-ZBFHGGJFSA-N 421.500 1.176 30 10 HDEE COc1cc(C)c([S@](C)=O)cc1OC(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1630458857 UPQYCEGDEZKYBL-MHZLTWQESA-N 422.484 1.385 30 10 HDEE COC(=O)c1cn(C2CN(C(=O)Cc3ccc(Br)cc3C#N)C2)nn1 1632563005 CJHKHRIQBGWFPS-UHFFFAOYSA-N 404.224 1.325 30 10 HDEE COC(=O)CCN1CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)C[C@H]1C 1632920573 DWKSBNFSMYMGIK-HZPDHXFCSA-N 410.515 1.669 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 1636838470 AXXWFNHONIYLPH-UONOGXRCSA-N 411.271 1.941 30 10 HDEE C#CC[C@H](CO)NC(=O)c1cccc(S(=O)(=O)Oc2ccccc2OCC)c1 1636838741 JEHYLPXSKFAJMV-MRXNPFEDSA-N 403.456 1.967 30 10 HDEE N#Cc1ccc(NCC(=O)N[C@@H]2Cc3cc(Br)cnc3NC2=O)cc1 1636917010 AYFUFEIQKLTMMO-CQSZACIVSA-N 400.236 1.807 30 10 HDEE C=C[C@@](C)(O)CC(=O)N1CCC(N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)CC1 1638935128 JRRPZZFHURMHNI-VWKPWSFCSA-N 423.510 1.745 30 10 HDEE CN(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1639962740 QGTWJMAWXKXHNA-MSOLQXFVSA-N 404.511 1.895 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H](C#N)CCc1ccccc1)CCS2(=O)=O 1640208676 STZSBXKFBOBDML-BXAPWLEFSA-N 418.515 1.774 30 10 HDEE C#CCOc1ccc(CNC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc1 1640954241 ZMHGNNQYBROTOX-OAHLLOKOSA-N 411.483 1.832 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 1643725533 DGAVPNXRXSVDDJ-QGZVFWFLSA-N 416.547 1.734 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F 1643939506 XKUHMCRHCZGYLC-WHOFXGATSA-N 419.425 1.841 30 10 HDEE N#Cc1ccc(Cn2cc(NC(=O)c3ccc4c(c3)NC(=O)CNC4=O)cn2)cc1 1643985286 FEQWAVWXQQRKOR-UHFFFAOYSA-N 400.398 1.737 30 10 HDEE CC(C)(C)OC(=O)C1(NC(=O)CCn2cc(C#N)c(O)nc2=O)CCCCCC1 1644401290 ATYFERGYPCTIAC-UHFFFAOYSA-N 404.467 1.762 30 10 HDEE CC(C)(C)OC(=O)NC[C@]1(CO)COCCN1C(=O)[C@H](C#N)CCc1ccccc1 1645565280 ZGFYUWSXDCMNQX-AVRDEDQJSA-N 417.506 1.874 30 10 HDEE COC(=O)c1cc(Br)c(CN2CCN(C(=O)CC#N)CC2)cc1OC 1645713856 PXMBROIKLDCTQH-UHFFFAOYSA-N 410.268 1.802 30 10 HDEE COCCN(C)CCN1C[C@@H](Nc2nccc(Oc3cccc(C#N)c3)n2)CC1=O 1651160660 AMXHDUSCNUFCPY-KRWDZBQOSA-N 410.478 1.732 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cn3)OCCO4)CC2)cc1 1651874433 BLWLZIOQUXQJAA-UHFFFAOYSA-N 400.460 1.231 30 10 HDEE Cc1ccc(C(=O)N[C@](C)(Cn2cccn2)C(N)=O)cc1B1OC(C)(C)C(C)(C)O1 1653552017 DQHXTOBQQVROCE-OAQYLSRUSA-N 412.299 1.165 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3ccc(-c4ccc(C=O)cc4)cc3)C2)c(=O)nc1O 1653763512 WOSYLHUWOQPMHU-UHFFFAOYSA-N 400.394 1.997 30 10 HDEE C=CCOC[C@@H](NS(=O)(=O)Cc1cc(C)ccc1Br)C(=O)OC 1655131754 IVNBJDRWBFQVJZ-CQSZACIVSA-N 406.298 1.921 30 10 HDEE COCCOc1cccc(CNC(=O)CN2CCc3c(sc(N)c3C#N)C2)c1 1656380925 LXRSYGILIUEVGK-UHFFFAOYSA-N 400.504 1.902 30 10 HDEE N#Cc1cn(CC(=O)N[C@H]2CCOc3ccccc32)nc1I 1656672625 VITYOUDEPPOHPW-LBPRGKRZSA-N 408.199 1.999 30 10 HDEE C=CCC[C@H](NS(=O)(=O)C1CN(C(=O)c2cccc(Cl)c2)C1)C(=O)OCC 1662023629 GJDQTHGXQNQCJT-INIZCTEOSA-N 414.911 1.982 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C)c(Br)cc1F)C(=O)OC 1663037152 AMOFKPRYWPTDTF-LBPRGKRZSA-N 410.261 1.919 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1cnc2c(c1)c(C)nn2C1CCOCC1)[C@@H]1CCCO1 1663478239 QBJZGQYHRKGYPS-MSOLQXFVSA-N 404.492 1.550 30 10 HDEE N#Cc1ccc(Br)cc1S(=O)(=O)N[C@@H](C1CC1)[C@]1(CO)CCCO1 1663558125 CWDSQPYYEUMOEN-JKSUJKDBSA-N 415.309 1.919 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1673202668 MKZSFJQOFJLROM-UHFFFAOYSA-N 402.449 1.627 30 10 HDEE N#Cc1c(CCCNC(=O)NCCO[C@H]2CC2(F)F)nn(-c2ccccc2)c1N 1674235220 IEIPSEDWXKYUCC-INIZCTEOSA-N 404.421 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCc2ccc(Cl)cc2OCC)CC1 1680629263 NSDBIJMLEZQKBQ-UHFFFAOYSA-N 414.915 1.034 30 10 HDEE C=C[C@@H](C)ONC(=O)N1CCN(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 1682404899 GDPIVXLZOGHCPS-OAHLLOKOSA-N 411.503 1.492 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCCC(=O)N(C)C 1689848539 XFYRDMBQMBPQDH-OAHLLOKOSA-N 421.505 1.518 30 10 HDEE C#CCN(C)c1nnc(CCc2ccc(OC)cc2)n1CC1(C(N)=O)CCOCC1 1689970821 DBSFDJZWJYLMTQ-UHFFFAOYSA-N 411.506 1.423 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)NCC1CC1 1690012328 ZLJDCUYOFGAZDP-UHFFFAOYSA-N 413.485 1.730 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCc2nccn2C1 1690052827 QZAFVIRCCKTYDD-GOSISDBHSA-N 405.506 1.323 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cc(F)ccc1F 1690103809 HBSGAYICNRKFIN-AWEZNQCLSA-N 424.473 1.593 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccccc1C1OCCO1 1690104209 PLUTZOKPEKBVNU-GOSISDBHSA-N 412.490 1.962 30 10 HDEE C#CCN1CCN(c2nnc(C(C)C)n2CCn2cc(Br)cn2)CC1 1690112269 SYMNJQQKZOAGCX-UHFFFAOYSA-N 406.332 1.816 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1690496961 CZJRRLSFHAHOSW-ICSRJNTNSA-N 418.586 1.983 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(C(=O)NC(C)C)n1C[C@@]1(O)CCN(C)C1 1690603820 IUQXSHUSHDVIHQ-OAQYLSRUSA-N 416.526 1.311 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1F 1690671276 SQXMGHZUKICUSI-OAHLLOKOSA-N 421.498 1.258 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1690671553 YPZHXVLFFKETHA-HUUCEWRRSA-N 417.470 1.091 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCCO3)nnc2N2CCS(=O)(=O)CC2)cc1 1690680975 BQLHNTPLWMPLER-GOSISDBHSA-N 418.519 1.978 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N1CCn2nc(C)nc2C1 1690724335 MRTSIZMWHKLHLG-UHFFFAOYSA-N 405.528 1.457 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1690743538 CGRQNJSJHCIXPU-CQSZACIVSA-N 420.539 1.222 30 10 HDEE Cc1cc(Cn2c(N3CC[C@@](F)(C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)n(C)n1 1693405327 IVOSGPFWELKKBT-UXHICEINSA-N 417.489 1.851 30 10 HDEE Cn1ccc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCO[C@@H](C#N)C2)n1 1696862211 HXEXZCPZCHQQCA-HNNXBMFYSA-N 413.432 1.852 30 10 HDEE COCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@](F)(C#N)C1 1698002509 YIRUYYYUTVICTO-FQEVSTJZSA-N 414.489 1.931 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)NC 1705498938 HKEXXXWVUNVUIB-HNNXBMFYSA-N 405.524 1.079 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1Cc1ccc(S(C)(=O)=O)cc1 1705540915 RLTYNSVOBIPGGC-UHFFFAOYSA-N 424.486 1.447 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCOC[C@@H]1C 1705577333 XXCKGMCWMYWTII-PKOBYXMFSA-N 416.489 1.666 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCCCC1 1705603513 WIMCMPQYQNXXAQ-UHFFFAOYSA-N 409.494 1.788 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@]1(O)CCO[C@@H]1C 1705630019 CNXQHUNOUDBGDN-HXOBKFHXSA-N 423.517 1.976 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCOC2CCCCC2)CC1 1705638438 LDTXCDFNLWVFHW-IBGZPJMESA-N 414.554 1.724 30 10 HDEE C#CCN1CCN(c2nnc(Cc3csc(C)n3)n2CCCC(=O)N(C)C)CC1 1705641082 PMBKIPMBJADOSJ-UHFFFAOYSA-N 415.567 1.257 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCOC[C@@H]1OC 1705879561 CZFOISXKHIGTNH-SJORKVTESA-N 407.515 1.204 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OC)cc2)nnc1N(C)C[C@@H](C)C(=O)NC 1705898606 RATUOZKWIWGQIB-CQSZACIVSA-N 400.483 1.074 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCN(CCOC(C)C)CC1 1705902896 LWYKQMBKNNKGKH-GOSISDBHSA-N 420.558 1.369 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCOC2)nnc1N1CCC(c2ccnn2C)CC1 1705902966 NQUDZQUNUPQYHY-KRWDZBQOSA-N 413.526 1.592 30 10 HDEE CN(CCCCCO)c1nnc(-c2cccc(C#N)c2)n1Cc1ccc(C(N)=O)nc1 1711192635 MWRVOMRCBUWTOU-UHFFFAOYSA-N 419.489 1.958 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccnc2)n1CCc1ccc(S(N)(=O)=O)cc1 1722288706 FWFSTJUPITYUDU-HNNXBMFYSA-N 410.503 1.688 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCN1CCOCC1 1722303252 NZIZMWSCVMCQGA-SFHVURJKSA-N 408.506 1.909 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)CCCN2C 1722346111 URRZKIUWNQMCPY-OAHLLOKOSA-N 416.551 1.388 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1CCN1CCSCC1 1722425671 IAQNYGUYRAQTND-UHFFFAOYSA-N 400.552 1.399 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C)n2CC2(S(C)(=O)=O)CCC2)n1 1722428419 WAUOXAKURQMQES-UHFFFAOYSA-N 420.539 1.037 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCc2ccccc2OC)CC1 1722430179 ZUKASOSPAZJROX-UHFFFAOYSA-N 410.522 1.423 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCCc1ccccc1 1722471203 BNJYLITVAJKBFB-WZONZLPQSA-N 420.517 1.580 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc2n1CCC2 1722504680 JMVIIOWIPUNCGZ-FQEVSTJZSA-N 401.515 1.919 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCOC(C)C 1722517681 MONYPHUDFPDNSJ-MRXNPFEDSA-N 415.560 1.438 30 10 HDEE C=CC[C@H](Cn1c(CC)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1)c1ccccc1 1722596559 KRUMIESHYHCNSF-QZTJIDSGSA-N 408.506 1.347 30 10 HDEE CC(C)(C)OC(=O)NCCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@H](C#N)C1 1722999178 KJCZFFCFQVLRNO-HUUCEWRRSA-N 406.487 1.426 30 10 HDEE Cc1c(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2cccc(C#N)c2)cnn1C 1724147863 FYGUYKFLXBPXMT-UHFFFAOYSA-N 418.505 1.999 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CCSCCCO)CC(=O)N1C 1726666221 HWTPFEAPFKRHJC-HNNXBMFYSA-N 414.535 1.599 30 10 HDEE C#CCN(C)c1nnc(Cc2csc(C)n2)n1CCCCN1CCC[C@@H]1CO 1740612305 MXQWTKHMFILEEO-GOSISDBHSA-N 402.568 1.940 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1Cc1cnn(CC)c1 1740665539 GTFNUWXFNQXTPC-UHFFFAOYSA-N 402.466 1.645 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCc2nc(C)c(C)s2)CC1 1740694351 HMGAZLRVHASKHH-INIZCTEOSA-N 413.551 1.300 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCS(=O)(=O)CC=C)CC1 1740705408 GGZGNIXTHOVNAS-UHFFFAOYSA-N 419.551 1.112 30 10 HDEE C=C(C)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 1740782217 HISKYUHYEAZJNJ-KRWDZBQOSA-N 416.526 1.019 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C2CC2)C(=O)C1 1740796152 QJPYIGCVRYZWDC-UHFFFAOYSA-N 413.526 1.543 30 10 HDEE C=CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CC(=O)N(C)CC 1740940823 UEMJSLSTEJPOPO-UHFFFAOYSA-N 404.471 1.123 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2noc3c2COCC3)nnc1N1CC[C@@H](C)[C@H]1C 1740990326 QSGANRWBNPGSLN-ZIAGYGMSSA-N 421.523 1.841 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1741003225 PSDNYGDMWWJLCH-BZUAXINKSA-N 410.540 1.452 30 10 HDEE CC(=O)N[C@@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@]2(C)CN(C)C2=O)C1 1741075142 SKIMLGZSZZUUOP-GCJKJVERSA-N 421.505 1.400 30 10 HDEE CC(C)C(=O)N[C@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1741275605 CUDCNRDQJWVJFD-HNNXBMFYSA-N 420.477 1.989 30 10 HDEE CC(C)Cc1nnc(N(C)Cc2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1741434770 NHJMDNARCSSVGD-HNENSFHCSA-N 412.498 1.373 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccsc2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1741802145 KFJLRYKADXXVGY-GOEBONIOSA-N 422.580 1.950 30 10 HDEE CCOC(=O)N[C@H](CC(C)C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)C[C@@H](C)C#N 1746565682 DTTUYSOICZRWKE-XHSDSOJGSA-N 419.530 1.986 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1(COC)CCCCC1 1748640442 VDOHCXJTUFNDET-CVEARBPZSA-N 411.572 1.943 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1CCCNC(=O)C1CCC1 1748646719 CLNRCAIGSVIYBS-KKSFZXQISA-N 403.527 1.695 30 10 HDEE C#CCCCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1748753344 FPMKDHDWYNQMPN-UHFFFAOYSA-N 416.570 1.261 30 10 HDEE C#CCN(c1nnc(-c2cccc(C)n2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1748814424 FUHRUTHAAUNTKQ-MRXNPFEDSA-N 403.508 1.312 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CC[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1748818167 WTLFYBPFUJBYIY-IAGOWNOFSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2COc3ccccc3O2)n1CC1([S@@](C)=O)CC1 1748857989 IZXXNRYZMXTHPD-LDLUVENISA-N 410.499 1.775 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1749193739 OBMZHOKLSULINW-IAGOWNOFSA-N 419.555 1.806 30 10 HDEE C=CC1CCN(c2nnc(COc3ccc(OC)cc3)n2Cc2nnn(C)n2)CC1 1749347686 RSJJXDMEPPBGSK-UHFFFAOYSA-N 410.482 1.840 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749456271 AHPDKUMMLVUMAN-NVXWUHKLSA-N 404.515 1.415 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc(COCC)n1C[C@@]1(O)CCN(C)C1 1749536800 YDHQFDCGSPZRQL-JOCHJYFZSA-N 410.522 1.945 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 1749626083 NCOMTPHUKWDSHZ-JKSUJKDBSA-N 413.457 1.955 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CN(CC)CC)C1 1749663858 SDBRRXZSQPIAHT-INIZCTEOSA-N 400.531 1.149 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(=O)OC)C1 1749761182 WXIHLDCTJOPYFE-OAHLLOKOSA-N 407.540 1.709 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3CCC[C@@H]32)n1Cc1ccc(C#N)o1 1751221665 KTVZWVHZCGTSJK-XEZPLFJOSA-N 404.496 1.780 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@@H]2CCS(=O)(=O)C2)cs1 1751772934 LOAKCTKCNYJXLU-HNNXBMFYSA-N 420.564 1.809 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1ccc(Cl)nc1)[C@@H]1CCS(=O)(=O)C1 1760190582 SEJPAISQJONPAF-MRXNPFEDSA-N 419.938 1.954 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCO[C@H]1C(=C)C 1760194091 ZDVLOJLCSKVYFG-MJGOQNOKSA-N 404.474 1.979 30 10 HDEE C#CCN(CC)c1nnc(COc2cccc(C)c2)n1CCC(=O)N1CCOCC1 1760237645 PLWYMEAGSKILLJ-UHFFFAOYSA-N 411.506 1.874 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@H]2CCOC[C@H]2OC)CC1 1760270456 PSDUWWVKRYOLAK-RTBURBONSA-N 417.554 1.494 30 10 HDEE C#CCSCCn1c(Cc2ccncc2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1760284530 OHYVHAIMDPGVNC-IBGZPJMESA-N 423.546 1.942 30 10 HDEE C=CCN(C)c1nnc(CN2CCCC2=O)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1760467810 WFLSLVNJNQMEJL-MRXNPFEDSA-N 414.485 1.506 30 10 HDEE C=CCNC(=O)Cn1c(-c2cn(C)c3ccccc23)nnc1N1CCN(C)C(=O)[C@H]1C 1760522685 APVRCFJRTIPEEJ-OAHLLOKOSA-N 421.505 1.406 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCSC[C@@H]1C 1760526067 CILDCZBIFMGMRW-HNNXBMFYSA-N 412.519 1.973 30 10 HDEE CCO[C@]1(c2nnc(N3CCN(C4CC4)[C@H](C#N)C3)n2CCCCOC)CCOC1 1765914636 ZBVSFMXVKWXRJE-WIYYLYMNSA-N 418.542 1.533 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(-c2cccc(C#N)c2)n1CC1=CCCOC1 1767423472 KGBKBJNYSWSWBK-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H](C(N)=O)C3)n2CCN2CCSCC2)c1 1771530143 BSMPKJPFHXIYEH-KRWDZBQOSA-N 411.535 1.177 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)c(Cl)c2)C1)[C@H]1CCN(C)C1=O 1850863168 QDCALHJZRASHDS-CJNGLKHVSA-N 405.882 1.947 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(Cl)cccc2Cl)CC1 1850872186 NIZCZSFRMLAZHL-LBPRGKRZSA-N 406.335 1.990 30 10 HDEE CCc1ccc(CN2C[C@@H](C(=O)N=c3[nH]c(OC)c(C#N)cc3C#N)CC2=O)cc1 1851054818 QHKGWEDBUKARLQ-SFHVURJKSA-N 403.442 1.805 30 10 HDEE C=C(C)n1c(=O)n(CCCC(=O)OCCN2CCOCCC2=O)c2ccccc21 1851124750 VTQKIBZOVATDSF-UHFFFAOYSA-N 401.463 1.866 30 10 HDEE Cn1cc(I)cc1C(=O)O[C@@H]1CON(c2ccc(C#N)cn2)C1 1851305041 LLMLJVBCUKUEKJ-LBPRGKRZSA-N 424.198 1.874 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(c4ccc(F)c(F)c4)C3)CO2)nc1 1851780469 BBQVQYIVYDKTSN-ZFWWWQNUSA-N 414.368 1.948 30 10 HDEE Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCCC2=NS(=O)(=O)C(F)(F)F)o1 1851838917 BCVUIBIVUPIRDD-GFCCVEGCSA-N 421.397 1.950 30 10 HDEE COc1cccc2c1OC[C@@H](C(=O)OCCN1CCN(c3ncccc3C#N)CC1)C2 1852657852 WFYXEMPDRRFJPC-IBGZPJMESA-N 422.485 1.878 30 10 HDEE CN(C)CCONC(=NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)c1ccc(F)cc1 1853602885 OGVAHMHCEXLVMM-UHFFFAOYSA-N 420.466 1.539 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCCO3)C3(CCCCC3)C2=O)CC1=O 1853926847 ICWQHNNFOYCXCO-ZWKOTPCHSA-N 403.523 1.574 30 10 HDEE C[C@@H]1CN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)CCN1S(C)(=O)=O 1853989127 CXZUMJPCQIIWKJ-QAPCUYQASA-N 418.519 1.045 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)[C@H](C)Oc3ccc(OC)cc3)C(=O)C2)C1 1854393251 FCJRAHYQYWBCNP-ZWKOTPCHSA-N 401.507 1.784 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2ccc3ccccc3n2)C(=O)C12CCCC2 1854404301 MFNOESWGSDRUOT-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE C[C@H](Oc1ccc(F)cc1)C(=O)N1CCN(S(=O)(=O)CC#N)C2(CCCC2)C1=O 1854410674 QAAVCDHEYUJAIV-AWEZNQCLSA-N 423.466 1.430 30 10 HDEE N#CCS(=O)(=O)N1C[C@@H](OC(=O)CCc2ccc(Br)cc2)CO1 1854502844 KGNPRPXJPNNDAX-CYBMUJFWSA-N 403.254 1.394 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H](C)Oc2cccc3ccccc23)CCN1S(=O)(=O)CC#N 1854813999 LZKREGBQFUJCCI-LSDHHAIUSA-N 415.471 1.520 30 10 HDEE COc1ccc(O[C@H](C)C(=O)N2CCN([C@@H]3CCN(CCC#N)C3)CC2=O)cc1 1855097531 HJTQMEKCBHTPDQ-IAGOWNOFSA-N 400.479 1.121 30 10 HDEE CC(C)S(=O)(=O)c1ccc(CC(=O)N2C[C@H](CN(C)CCC#N)CC2=O)cc1 1855724840 LPAJTMCJEJHFMS-KRWDZBQOSA-N 405.520 1.632 30 10 HDEE C[C@H]1CCN([C@@H]2CCCN(C(=O)CCc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855950732 WOZQLBWXQFTMBR-QFBILLFUSA-N 417.531 1.517 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC([C@H]3CN(C(=O)CC#N)C(=O)O3)CC2)ccc1F 1856212205 QLBRKDDQADRXHJ-MRXNPFEDSA-N 409.439 1.796 30 10 HDEE Cc1ccc(S(=O)(=O)CC(=O)N2CCN([C@H](C)CCC#N)C(C)(C)C2=O)cc1 1856769200 XTWHCZHTUHMDGA-MRXNPFEDSA-N 405.520 1.910 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCN(C(=O)CSc3ccccc3)C2=O)CC1 1857070480 OFMMBIDYPXLYND-IBGZPJMESA-N 421.526 1.995 30 10 HDEE N#Cc1ncccc1OC1CN([C@H]2CCN(C(=O)[C@H]3COc4ccccc43)C2=O)C1 1857109300 JQRYMASQWYEPGP-WMZOPIPTSA-N 404.426 1.320 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@@H](NC(=O)c3cccc(C#N)c3)C2)cc1 1858327231 NNCZMYPTTVTUOF-GOSISDBHSA-N 412.471 1.710 30 10 HDEE N#Cc1nnn(-c2ccc3c[nH]nc3c2)c1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 1870097929 DXRIHVFSRMWHBX-UHFFFAOYSA-N 410.375 1.724 30 10 HDEE C=CCN(CC=C)c1nc(=NCCNC(C)=O)[nH]c(=Nc2cccc(NC(C)=O)c2)[nH]1 1871534864 XMUHLJBLRVZQEV-UHFFFAOYSA-N 424.509 1.144 30 10 HDEE C=CCn1c(C(=O)N(C)CCCC)cc2c(N3CCN(CCO)CC3)ncnc21 1873561962 HHZWEAXZIFHCSM-UHFFFAOYSA-N 400.527 1.604 30 10 HDEE CC(C)N1C[C@H](c2nnc(SCC(N)=O)n2/N=C/c2ccc(F)cc2)CC1=O 1874336828 DSLMARHUZHAFQC-RTYWOJFRSA-N 404.471 1.601 30 10 HDEE CN1CCN(CC#CCOC2CCN(C(=O)c3ccc(F)c(F)c3F)CC2)CC1 1889960245 YRQRWSZDOWICAO-UHFFFAOYSA-N 409.452 1.976 30 10 HDEE CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)Nc1ncnc(N)c1C#N 1962044605 IOFBJGRULRGWMY-UHFFFAOYSA-N 407.475 1.760 30 10 HDEE C#CCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)Cc1ccccc1)C(=O)O 1984869693 PAIIVKFSKGLSAZ-ZWKOTPCHSA-N 417.506 1.995 30 10 HDEE CC(C)OCCCN=C(NC[C@H]1COCCO1)N1CCN(c2ncccc2F)CC1 2087918077 OVFSIVRUDHPKGF-SFHVURJKSA-N 423.533 1.519 30 10 HDEE COC[C@@H](C)NC(=NC[C@@H]1OCCOC1(C)C)N1CCN(c2ccccn2)CC1 2087918101 PPXKJAYPWKGESB-MSOLQXFVSA-N 405.543 1.378 30 10 HDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NS(=O)(=O)CC1(C#N)CCOCC1 2118169606 OLCHMGLXHKNPLK-RUZDIDTESA-N 409.530 1.259 30 10 HDEE CN([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)S(=O)(=O)CC1(C#N)CCOCC1 2174778993 DPGOYWYURFVTOM-OAHLLOKOSA-N 401.529 1.968 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H](NC(=O)C(F)(F)F)CC[C@@H]1C(F)(F)F 2174779033 DVTGVGOSWSUZHY-RKDXNWHRSA-N 409.352 1.940 30 10 HDEE Cc1nc(NS(=O)(=O)N2CCC[C@H](C#N)C2)ncc1I 2189860440 LMJBUGQAAPIYEM-SECBINFHSA-N 407.237 1.282 30 10 HDEE CC(C)(C)OC(=O)NCCOCCN=c1ccc(B2OC(C)(C)C(C)(C)O2)c[nH]1 2212758621 NPXYPBVPDZLQBJ-UHFFFAOYSA-N 407.320 1.756 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)ccn1)C(=O)O 2243057459 VRSLNKRHIVQMDE-CYBMUJFWSA-N 408.260 1.738 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CNC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1 2247812904 SSFKZEJCJCRSNG-AWEZNQCLSA-N 420.315 1.601 30 10 HDEE CC1(C)OB(c2n[nH]cc2C(=O)NCc2ccn(Cc3ccccc3)n2)OC1(C)C 2247827801 KMQUOPIDDPPYSF-UHFFFAOYSA-N 407.283 1.884 30 10 HDEE Cc1nn(C)c(C(=O)NCCN(C)Cc2ccccc2)c1B1OC(C)(C)C(C)(C)O1 2247916770 DITKRCZATFIJSK-UHFFFAOYSA-N 412.343 1.890 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)c2ncc(B3OC(C)(C)C(C)(C)O3)cn2)C1 2247923364 XLHCOVBNRVNEBL-HDJSIYSDSA-N 418.303 1.561 30 10 HDEE C[C@H]([C@@H](C)S(C)(=O)=O)N(C)C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2281805943 FQJRVFFTZCEPGP-GHMZBOCLSA-N 402.347 1.336 30 10 HDEE COc1ccc(C(=O)N2CCCC3(C2)OCCO3)c(B2OC(C)(C)C(C)(C)O2)c1 2281944106 IHBBOIVYELJCFU-UHFFFAOYSA-N 403.284 1.974 30 10 HDEE CNCC[S@](C)(=O)=NC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2281992803 RSDIMMOLXXURLS-SANMLTNESA-N 401.725 1.492 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N[C@@H]1CCCC2(CC1)OCCO2 2282053614 WEUWMOQRUKYKEB-CQSZACIVSA-N 405.304 1.525 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3CCOC[C@H]3N)cc2Cl)OC1(C)C 2282307087 XBPOCERVKMUUTC-MNOVXSKESA-N 422.765 1.095 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H]1CCC[C@@H]1O 2282313027 FGFSNZGYYLUTQM-OLZOCXBDSA-N 401.359 1.890 30 10 HDEE CC[C@H]1CNCCN1S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282316174 YPEOFPWQFXRALU-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCCNCC2)sc1B1OC(C)(C)C(C)(C)O1 2282318099 CQIOZSILSAJCOA-ZDUSSCGKSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CO)C2(C)CC2)sc1B1OC(C)(C)C(C)(C)O1 2282318719 JRDKJLCEZDWYFF-LBPRGKRZSA-N 401.359 1.795 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCc1csc(O)n1 2282319632 WWXXNVNNHDCNOZ-UHFFFAOYSA-N 416.355 1.996 30 10 HDEE C[C@H]1C[C@H](O)CCN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282331891 SWFDPZIDHPQZGA-QWHCGFSZSA-N 401.359 1.829 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NCCc1nncs1 2282424414 BOJQNFSQVGTRGP-UHFFFAOYSA-N 415.371 1.728 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2CC[C@@H](CO)C2)c1B1OC(C)(C)C(C)(C)O1 2282491338 KQHPAXJBPXWIRJ-CYBMUJFWSA-N 401.359 1.667 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@H]3C[C@H](N)C3)c(Cl)c2)OC1(C)C 2282494245 XUWZIEJFODTWAQ-AULYBMBSSA-N 400.737 1.655 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCC2(C(F)F)CC2)OC1(C)C 2282501975 DXNMHOJMEJZQTO-UHFFFAOYSA-N 408.301 1.907 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=[S@](C)(=O)CCN)c(Cl)c2)OC1(C)C 2282502409 KVIHRNTVXCTDKB-RUZDIDTESA-N 422.765 1.384 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCCCCS(N)(=O)=O 2282585964 RYUXLOWGAJTKOC-UHFFFAOYSA-N 402.347 1.154 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN[C@@H](C)CC1 2282827894 GANQWFRTQUBNLF-LBPRGKRZSA-N 400.375 1.728 30 10 HDEE CC[C@H]1CNCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282833433 XIXUHTXUEQSSDP-ZDUSSCGKSA-N 400.375 1.728 30 10 HDEE CCCN(C1CNC1)S(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282835245 RDEYKZMFCPCUDR-UHFFFAOYSA-N 400.375 1.728 30 10 HDEE COCCN(CCF)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845152 NWFVHMMYDYMUKK-UHFFFAOYSA-N 407.338 1.795 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2CC[C@H](O)[C@@H](F)C2)OC1(C)C 2282846466 KGAGXTPCJLENNA-STQMWFEESA-N 405.322 1.282 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N(CCN)C3CCCC3)c2)OC1(C)C 2282849047 VUNMRZJCQDRMBQ-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE CC1CC(CO)(N(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282853520 FASMWVOSFZRBBW-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE CCC[C@@H](NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284393096 GPMTXTFWPROYOF-SNVBAGLBSA-N 404.319 1.115 30 10 HDEE CSC[C@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)C(=O)O 2284408057 RURFZCJBCBVLCS-ZDUSSCGKSA-N 401.315 1.080 30 10 HDEE CC=CC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284417813 QABPHGPAPVVAKC-GFCCVEGCSA-N 401.315 1.745 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NC[C@H]2CNCCN2Cc2ccccc2)[nH]1 2315396429 BVBSSYCDUZMKRJ-OAQYLSRUSA-N 422.382 1.997 30 10 HDEE COc1cc(C=Nn2c(S)nnc2[C@H]2CC(=O)N(C(C)C)C2)cc(OC)c1O 2322038154 CERXYOFXCIATOW-LBPRGKRZSA-N 405.480 1.896 30 10 HDEE CCN(CC)C(=O)COc1ccc(C=CC(=O)C(=O)NCCCNC(C)=O)cc1 2325709664 PQRWPSUFDOWDBA-UHFFFAOYSA-N 403.479 1.159 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@]12C[C@](NC(=O)OC(C)(C)C)(C1)[C@H](C)O2 2365200662 ADKKTPSPGQTFIX-LSOMNZGLSA-N 400.541 1.616 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C 2365203138 HWIPKAMWOQUZPC-ARFHVFGLSA-N 402.557 1.552 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)c1nn(C)cc1I 2367790256 UQFBQZDMRCMGCO-LLVKDONJSA-N 407.277 1.256 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H](CCN(C)C)NC(=O)OC(C)(C)C 2367797790 WYFVKMBSEJHDJS-HOTGVXAUSA-N 401.573 1.390 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]([C@H](N)C#CC2(S(C)(=O)=O)CCC2)OCC1(C)C 2367803772 NEPGXLOPRAXGLG-CABCVRRESA-N 400.541 1.699 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)NCCc2ccc(C(C)(C)C)cc2)CC1 52305286 LKBGQNSJBPVLKP-UHFFFAOYSA-N 400.567 1.563 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc(Br)c3c(c2)OCO3)CC1 56968365 GQTWOWMDSGYXTI-UHFFFAOYSA-N 410.268 1.238 30 10 HDEE CCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)COC[C@H](O)CO 136345188 YYYHDIQLLFHAGW-VAMGGRTRSA-N 422.559 1.559 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)CN(C)CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 138807437 VECNPZKGJISYQZ-FQEVSTJZSA-N 409.531 1.052 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](c3nncn3C3CC3)C2)c1 303504203 RYNNRAZAQPDHPE-MRXNPFEDSA-N 413.503 1.544 30 10 HDEE CS(=O)(=O)c1ccc(NCC/N=C(/N)NCCc2cccs2)c([N+](=O)[O-])c1 303781070 MBBIESJRNNYMSM-UHFFFAOYSA-N 411.509 1.619 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O 410188178 KSPMVHGMGZHBBZ-ZWKOTPCHSA-N 408.524 1.434 30 10 HDEE CNS(=O)(=O)c1cccc(NC(=O)C(=O)Nc2cccc(OCCCC#N)c2)c1 437057645 VKWCLTCLZAJBCG-UHFFFAOYSA-N 416.459 1.854 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC(S(N)(=O)=O)CC2)n1 443602992 PZRRNGOWGCCNRO-UHFFFAOYSA-N 408.871 1.682 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1 446910520 LONQJUCDXUGDFF-AWEZNQCLSA-N 402.398 1.918 30 10 HDEE C=CCCCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1OC 448374846 LDVLJXGIFKODCM-UHFFFAOYSA-N 409.508 1.891 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(C#N)c3)CC2)c1 488762276 PUULPRCSKUKWEO-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE Cc1ncc(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1C#N 489117157 PJSSSHKAKCSIFH-UHFFFAOYSA-N 414.443 1.137 30 10 HDEE CCN1CCC(CCNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 491124625 UWXXXYIKZWBMKG-UHFFFAOYSA-N 409.494 1.375 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2ccc(OC)cc2)CC1 508466601 VFWJUPYCIGPFLZ-GOSISDBHSA-N 413.478 1.523 30 10 HDEE COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 513800763 JKECVSKTYGCYCO-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc([N+](=O)[O-])c(OC)c2)c1=O 538840039 OPMHTMKIBJHKRA-UHFFFAOYSA-N 413.455 1.719 30 10 HDEE CCn1c(=O)c(C(=O)CN2CCC(CC#N)CC2)c(N)n(Cc2ccccc2)c1=O 543811148 WBQXGBPYFQMIFU-UHFFFAOYSA-N 409.490 1.469 30 10 HDEE CCCNC(=O)C(C#N)=c1sc(=Cc2ccc([N+](=O)[O-])cc2C)c(=O)n1CC 544639511 KYPSAESYLCPSDS-UHFFFAOYSA-N 400.460 1.176 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC(n4cc(C(=O)OC)nn4)CC3)cc2C1=O 545404121 VUNKKICBAOOXHX-UHFFFAOYSA-N 423.429 1.324 30 10 HDEE C[C@H](Cn1ncc2ccccc2c1=O)NC(=O)N1CCN(c2cccc(C#N)n2)CC1 546189062 INQQZBCEHHFYLU-MRXNPFEDSA-N 417.473 1.583 30 10 HDEE CN(C)CC1CCC(NC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 561025883 SRCBVQWXGYFOIQ-UHFFFAOYSA-N 411.550 1.439 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CC(Oc3ncccc3C#N)C2)cc1 585246444 TWEFFIIDDKUART-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE COC(=O)c1ccc(CS(=O)(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603631036 PPFVDBOIKQJYDP-UHFFFAOYSA-N 400.460 1.392 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3C[C@@H]4CC[C@H](C3)O4)nnc12 608591969 BSUQPKQGAHQXRR-OKILXGFUSA-N 411.487 1.712 30 10 HDEE N#CCN1CCC(NC(=O)[C@@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)CC1 609330658 XCKGMTOKNOVYGR-OAQYLSRUSA-N 416.481 1.998 30 10 HDEE COC(=O)c1c(C)cccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 612802583 ZMXKTHBBLIHSML-UHFFFAOYSA-N 400.460 1.559 30 10 HDEE C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 670196915 DNCVZDFAKJUOLP-VQIMIIECSA-N 412.542 1.244 30 10 HDEE Cc1noc(CCNC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)n1 726270913 IMAVLGQFNQGHEZ-JCMHNJIXSA-N 406.468 1.555 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2ccoc2)c(=O)n1-c1c(C)cccc1C 727415513 SPGGBXRIVDCYTK-UHFFFAOYSA-N 405.479 1.914 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)[C@@H]1CCCN1c1ncnc2sccc12 732152395 ALCVCEBIIONALX-VLFBTDHHSA-N 412.475 1.303 30 10 HDEE C#CCCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 733673772 MJIWJOSLNFYNSM-UHFFFAOYSA-N 417.512 1.573 30 10 HDEE COc1ccc([C@@H]2[C@@H](C(=O)NS(=O)(=O)c3ccc(C#N)cc3)CC(=O)N2C)cc1 734963659 LZDGAIDWKDRACX-PKOBYXMFSA-N 413.455 1.591 30 10 HDEE C[C@H](CC(=O)N1CCCC[C@H](N2CCCC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 742650646 WCBRHNOYMOSNPO-SJORKVTESA-N 418.563 1.981 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C)c(N3CCOC3=O)c2)CC1 746734222 XHBFRZZTXYQCFM-UHFFFAOYSA-N 401.467 1.403 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCO[C@H](c2cccs2)C1 761015658 RRALIIUDPGSRHH-AWEZNQCLSA-N 405.501 1.777 30 10 HDEE Cn1ccc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@@H]3CCCO3)c2=O)c1 763434599 JOXAZXSXUBBSDM-SFHVURJKSA-N 419.506 1.813 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 766233381 NNUQRHVLTRLQRA-OAHLLOKOSA-N 409.464 1.140 30 10 HDEE CCS(=O)(=O)c1ccc(CC(=O)NS(=O)(=O)c2ccc(C#N)cc2OC)cc1 766975331 KFTLFYNOIWYPTF-UHFFFAOYSA-N 422.484 1.408 30 10 HDEE CCCCCCC[C@]1(C)NC(=O)N(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)C1=O 767530459 BJAPOXIMNRLJCP-ZQIUZPCESA-N 404.533 1.516 30 10 HDEE C#CCN(C(=O)N[C@@H](C)Cc1cc(C)nn1-c1ccccc1)[C@@H]1CCS(=O)(=O)C1 774251843 KQGIOJQQAFDBBD-QFBILLFUSA-N 414.531 1.944 30 10 HDEE COCCN(C(=O)Cc1ccccc1CC#N)c1c(O)nc(=O)n(CC(C)C)c1N 776741739 IEALVHUZWOWGIS-UHFFFAOYSA-N 413.478 1.475 30 10 HDEE COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21 787355399 WPNWJSAUCGIHBY-IYOUNJFTSA-N 419.503 1.305 30 10 HDEE C#CCOCCC(=O)N[C@H]1CCN([C@@H](C(=O)OC(C)(C)C)c2ccccc2)C1=O 789457027 QJYNDZVXBWABEP-PKOBYXMFSA-N 400.475 1.826 30 10 HDEE C#CCn1ccc(CN(CC)C(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@@H]2c2cnn(C)c2)n1 795373048 GAVBCAWUCHTCEO-UYAOXDASSA-N 410.522 1.987 30 10 HDEE Cn1cc([C@@H]2[C@H](C(=O)NS(=O)(=O)CC(C)(C)C#N)CC(=O)N2C(C)(C)C)cn1 796810923 FJNWYKUKGHGWMO-UKRRQHHQSA-N 409.512 1.104 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)[C@@]12[C@@H]3[C@H]4C(=O)[C@H]1[C@@H]1[C@@H]4C[C@@H]3[C@H]12 800257323 CLWWOJMJRIJRMH-FWBLXDNBSA-N 414.421 1.553 30 10 HDEE C#CCNS(=O)(=O)N1CCN([C@@H](C)c2nnc(-c3ccccc3F)s2)CC1 801525241 GTNHUMUSOBTYPF-ZDUSSCGKSA-N 409.512 1.490 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F 804270526 ZQSSMLRKYYYYDE-GFCCVEGCSA-N 418.397 1.803 30 10 HDEE CC1=C2C(=O)C=C(CO)[C@H]2[C@@H]2OC(=O)[C@@H](C)[C@H]2[C@H](OC(=O)Cc2ccc(O)cc2)C1 1077999903 ICJJPTZLMALYBH-QYIBBYHTSA-N 412.438 1.862 30 10 HDEE COc1cccc(NC(=O)CSc2nnc(NN=Cc3ccc(O)cc3)n2N)c1 1084530406 OHSOQZBZUIRELY-UHFFFAOYSA-N 413.463 1.883 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(C#N)cc1F 1124146156 HFKFHTVLGZKPGF-UHFFFAOYSA-N 419.434 1.979 30 10 HDEE N#Cc1ccc2c(c1)C[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 1132853261 PXBJIMGIEFTACT-INIZCTEOSA-N 401.444 1.069 30 10 HDEE C=CC[C@]1(C(=O)N2CC[C@H](CNS(C)(=O)=O)C2)CCCN1C(=O)OC(C)(C)C 1133220590 URFOJIYUNYJWFI-DNVCBOLYSA-N 415.556 1.730 30 10 HDEE C=CC[C@]1(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CCCN1C(=O)OC(C)(C)C 1134429057 MRKUECSPXJGOJW-CWFSZBLJSA-N 423.535 1.729 30 10 HDEE C#CCN(CC(=O)N[C@H]1CN(Cc2ccccc2)CC[C@H]1CO)C(=O)OC(C)(C)C 1137442025 RVXNWKOZVOAFSL-PMACEKPBSA-N 415.534 1.856 30 10 HDEE CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)CCCC(=O)Nc1ccccc1C#N 1137537058 GJQOZSJXGORAOM-RDJZCZTQSA-N 406.508 1.501 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCCC3(C2)OCCO3)s1 1138150517 IIBPFLWGGMRHFZ-CYBMUJFWSA-N 400.522 1.557 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C\CN2CCOCC2)cc1 1141821242 NJHONEXZVBHDSG-VAQKJQRLSA-N 406.508 1.326 30 10 HDEE C[C@@H]1C[C@@H](CO)CN(C(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)C1 1142601220 AUPYBWBHIZPMRT-HZPDHXFCSA-N 407.536 1.762 30 10 HDEE CC(C)(C)n1cc(Br)c(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)n1 1144429385 TVKAHAUTOQNSPZ-FYWRMAATSA-N 410.272 1.657 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@@H](OC)c1ccc(Cl)cc1)c1cc[nH]n1 1147971535 ZHHIUMKLERYUSS-OAHLLOKOSA-N 408.842 1.851 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@@H]2C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1156675525 KKTKCEAFWIPAIQ-ZIUCBDDQSA-N 409.508 1.171 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2n[nH]c3cc(C)n(C)c(=O)c23)ccc1F 1162761522 LPMPXNUDXUUFJV-UHFFFAOYSA-N 419.438 1.426 30 10 HDEE COc1cc(C(=O)NC2(c3cccc(C#N)c3)CCOCC2)sc1S(N)(=O)=O 1167196323 GRSUVIDOVJKNTI-UHFFFAOYSA-N 421.500 1.711 30 10 HDEE C#C[C@](C)(CC)NCC(=O)N1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1170450435 BJSGLXCGLFHUHX-HXUWFJFHSA-N 405.520 1.114 30 10 HDEE COC(=O)CCN(CC#N)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl 1171919670 FKGQKAGLLFHKHT-UHFFFAOYSA-N 422.290 1.577 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCc1cncc(C#N)c1 1178373911 RCMYPFHALBTTIK-QGZVFWFLSA-N 411.487 1.867 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCCC[C@H]([C@@H]2CCOC2)C1 1180319255 BSZVAOAPCPHPDS-RYQLBKOJSA-N 405.520 1.890 30 10 HDEE COCCOc1cncc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c1 1183324733 LXJYVZGRPDJLNQ-UHFFFAOYSA-N 421.251 1.903 30 10 HDEE CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1188182697 AESGBHDOEBFMKW-LBPRGKRZSA-N 404.261 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)NC2(c3cccc(C#N)c3)CC2)CC1 1190197098 FHXOIWWZBLWJQH-UHFFFAOYSA-N 406.508 1.934 30 10 HDEE C=C(C)C[C@@H](NS(=O)(=O)c1ccc(NS(=O)(=O)CC)cc1OC)C(=O)OC 1193581969 QXLIYTZEIVKBCN-CYBMUJFWSA-N 420.509 1.243 30 10 HDEE C=CCN(C)CCN(CC)S(=O)(=O)c1cc(Br)cc(C(N)=O)c1 1212445972 YZUHLSGFGZEENL-UHFFFAOYSA-N 404.330 1.676 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NCc2ccc(Cl)c(C(=O)OC)n2)c1 1212453913 SRQQCRPIZZYVCA-UHFFFAOYSA-N 423.878 1.916 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](n2cncn2)C(F)(F)F)c1 1213380754 PDBDXKRHQSFPJT-ZDUSSCGKSA-N 403.386 1.276 30 10 HDEE N#C[C@@H]1CCCN(C(=O)NCc2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)C1 1221490411 CICXIOXMEBDFKK-IRXDYDNUSA-N 406.508 1.589 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CCC2)[C@H]1C1CCN(C(=O)NCC(=O)NCC#N)CC1 1248536176 FCFSBRSTAXEBAZ-QGZVFWFLSA-N 419.526 1.837 30 10 HDEE CC(C)(C)OC(=O)NC1CCN(CCNC(=O)NCC#C[C@H]2CCCCO2)CC1 1248635949 NJDWUVJFWQMYSE-GOSISDBHSA-N 408.543 1.847 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCN(c3cc(C#N)ccn3)CC2)C1 1251298099 GTXJOUOJJQQHQD-OAQYLSRUSA-N 401.511 1.837 30 10 HDEE C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@@H]32)C[C@H]1CCNC(=O)c1ccc(C#N)[nH]1 1282535090 UWEFTMBOHBQZTH-DHBZOUTCSA-N 400.479 1.152 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1Cc2ccccc2O1 1286273973 LSNFYCRJZOSJSX-OFQRWUPVSA-N 403.508 1.350 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2C[C@H](C)CN2CCOCC2)c1 1286310401 YEVJKVPUHWUVIB-QGZVFWFLSA-N 410.522 1.611 30 10 HDEE C#CCCCn1c(N2CCC(CCC(N)=O)CC2)nnc1[C@@]1(OCC)CCOC1 1286359946 NMFKZJAISRPWFQ-OAQYLSRUSA-N 403.527 1.826 30 10 HDEE C#CCN(CC#CC)c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@@]1(O)CCO[C@H]1C 1286423062 QIOPTHYKIHZHAU-NYVOZVTQSA-N 416.522 1.322 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@H]1COCCO1 1286426209 NYADVGKWFBBVOC-INIZCTEOSA-N 418.457 1.472 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2OC)n1Cc1ncn(C)n1 1286434607 QBJFQTPFEVHOBC-UHFFFAOYSA-N 405.462 1.505 30 10 HDEE C#CCSCCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CC[C@H](C(N)=O)C1 1286504367 QOUVPYIAEATZPQ-INIZCTEOSA-N 421.530 1.809 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN1CCc2sccc2C1 1286727727 YGNXEUHZFXALCU-MRXNPFEDSA-N 421.592 1.922 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CCCN(CC)C(=O)C1 1286790144 OCIBCGYZFVEIAW-UHFFFAOYSA-N 402.524 1.291 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(F)(F)F)CCO1 1286940822 DLBRBHOWXHRFGC-HNNXBMFYSA-N 408.384 1.720 30 10 HDEE C[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCO[C@@H](C#N)C1)N1CCOCC1 1288614015 YKBSNEDGKOISBT-HOCLYGCPSA-N 417.901 1.443 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2COCCO2)C1 1288977165 KHULQNLCQHOIND-GPMSIDNRSA-N 423.539 1.116 30 10 HDEE N#Cc1csc(CNC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)n1 1289334213 YIOZDSCDDNFRRD-CDVVCGDMSA-N 409.471 1.434 30 10 HDEE CS(=O)(=O)CC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cnn(CC#N)c1 1292205305 BWMSEKZAWGXVSO-HNNXBMFYSA-N 423.882 1.232 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](O)(C2(C(=O)N[C@H]3CCCN(O)C3=O)CCC2)C1 1298543693 UGYNKUOZPSMPKE-XOBRGWDASA-N 411.499 1.415 30 10 HDEE Cn1cc(-c2nnc(N3CCN(c4ncccc4C#N)CC3)n2CCCCCO)cn1 1298818717 XGHZXGXSLCVLGH-UHFFFAOYSA-N 421.509 1.434 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCN2CC=CCC2)CC1 1299435436 ORLQOHODFWBPSX-UHFFFAOYSA-N 421.505 1.967 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(NC(C)=O)c1 1300272049 KJNVUBQOSVHYNU-KGLIPLIRSA-N 418.523 1.353 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC(C(=O)N2CCCC2)CC1 1300421238 ANDVNSSTLOFQAJ-UHFFFAOYSA-N 412.538 1.653 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC1(O)CCOCC1 1300459263 QQYBHGFNKDFQRH-UHFFFAOYSA-N 411.510 1.063 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CCc1nccnc1C)[C@H]1CCS(=O)(=O)C1 1300485459 WSLCZJWFLGPCIW-WBVHZDCISA-N 416.551 1.759 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OC(C)C)CCOC2)n1CC[S@@](=O)C(C)(C)C 1300512919 NSYHFGZHQCBIFS-ONOMSOESSA-N 420.579 1.939 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1301196723 IHWOXMWXYOTFLF-HOCLYGCPSA-N 407.544 1.031 30 10 HDEE C=CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H]1COCCO1 1301298200 ZXFLOPWUVJKKFG-JKSUJKDBSA-N 423.514 1.624 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@H](CO)[C@H](O)C3CCCCC3)ccc2c1=O 1301842234 QUNKFEQOMGDATO-QZTJIDSGSA-N 417.531 1.903 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2C[C@H]2CCCS2)CCOC1 1303504207 FZKFYRNCCXFUCG-FRQCXROJSA-N 407.540 1.943 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)cc1 1303764755 GXBBXHZQRXKNBR-DNVCBOLYSA-N 407.492 1.502 30 10 HDEE CCc1nc(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)[C@@H](C)CC#N)cs1 1306036485 DPVHSBSTDQMGPK-STQMWFEESA-N 408.553 1.986 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 1312728182 GWBVRJIGIQONPI-CVEARBPZSA-N 419.507 1.312 30 10 HDEE CCOCc1nnc(N2Cc3ccccc3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1314326797 TWVGTBZCWUSITP-FMQUCBEESA-N 408.462 1.861 30 10 HDEE COC1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H](C)C#N)CC1 1315679690 BEMJKDHAPKKJRI-QRNKSROTSA-N 412.560 1.689 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC1([S@](C)=O)CCC1 1316208248 BKESWDMVARVEGL-XAZSVGOPSA-N 411.528 1.032 30 10 HDEE N#C[C@H]1CN(C(=O)c2cn(-c3ccc(Br)cc3)nn2)CCN1C1CC1 1335042454 HMAJNZFBWCFLDW-HNNXBMFYSA-N 401.268 1.842 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)c1cn(CCO)nc1C1CCOCC1 1347888949 KWMLHHRXPWAJQS-UHFFFAOYSA-N 414.462 1.919 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)/C=C\c1ccc(S(C)(=O)=O)o1 1356276174 INGVIWCMMHBRBD-DXTPNHAXSA-N 401.448 1.095 30 10 HDEE Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)ncc1C#N 1357928908 WAZDTSMNZKPXGH-UHFFFAOYSA-N 410.499 1.897 30 10 HDEE C#CCn1cnc(-c2ccccc2)c1NC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2n1C 1358096073 XPINAGUQRWKTJN-UHFFFAOYSA-N 416.441 1.325 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC([C@@H]2CCOC2)CC1 1358919586 FTZBIOPSDGOHLJ-NVXWUHKLSA-N 409.556 1.555 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1cccc(N2CCOCC2)n1 1358978428 MIUVLBPFIBCLHI-SFHVURJKSA-N 406.490 1.135 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1OCC[C@H]1C 1358989060 OGCUJTHWCGOTRK-YLJYHZDGSA-N 416.489 1.809 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](Cc1ccccc1)OC 1358992402 KRAIWQYUQZHXHL-PMACEKPBSA-N 405.502 1.950 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(NC(C)=O)c1 1359023312 GVUVZPWGDFOOIZ-GOSISDBHSA-N 410.478 1.322 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@]2(O)CCOC2)CC1 1359036643 CZNPIEKHZKOEBW-NRFANRHFSA-N 415.925 1.429 30 10 HDEE C#CCSCCn1c(Cc2csc(C)n2)nnc1N1CCO[C@H](COC)C1 1359059435 NKTRWQMVMKMFQZ-INIZCTEOSA-N 407.565 1.852 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](CNC(C)=O)C1 1359149002 KVXBNLGYPIZUAS-CYBMUJFWSA-N 422.873 1.100 30 10 HDEE C=CCCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)[C@@H]1C 1359221393 AFSGYIQBVJJFNL-HNNXBMFYSA-N 413.482 1.185 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCOCC2(CCC2)C1 1359227630 GUOBRZCIMAUYMZ-QGZVFWFLSA-N 424.567 1.780 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1359230057 CWMDEGOJWWZLPH-MRXNPFEDSA-N 414.485 1.620 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCN(Cc2cc(C)no2)CC1 1359296762 TXKSSTMPVLYGDH-UHFFFAOYSA-N 421.505 1.866 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)[C@@H]1CCSC1 1359304523 ZVRYQUABHHKTMV-MRXNPFEDSA-N 412.519 1.973 30 10 HDEE CC(C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1359602308 CGSVDQNPBGJKCD-UHFFFAOYSA-N 418.523 1.059 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ccc(C#N)cn3)CC2)n1Cc1cnn(C)c1 1359851804 FSPKAXMFIMIWSR-UHFFFAOYSA-N 405.510 1.852 30 10 HDEE C#CC[C@@H]1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)C1 1438021358 VZGNEHZOPJJZCD-CVEARBPZSA-N 405.476 1.867 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)c1c(Br)nc2n1CCCC2 1442495242 AAQYETZMDKAVAN-UHFFFAOYSA-N 410.316 1.670 30 10 HDEE COCCN(CC#N)C(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O 1450840454 IDBIMKXFKLQMGH-UHFFFAOYSA-N 403.460 1.483 30 10 HDEE C#CCN(CC(=O)NC[C@@H]1CCCCN1C(=O)C(F)(F)F)C(=O)OC(C)(C)C 1452199666 XFDPTCWVZNUVNX-ZDUSSCGKSA-N 405.417 1.916 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCc3ccnc(-n4cncn4)c3)n[nH]2)c1C 1454688367 ZYXILYNBGRXQMQ-UHFFFAOYSA-N 403.450 1.982 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccc3c(c2)OCCCO3)c1 1455881555 WIUUPSWXUHTUSG-UHFFFAOYSA-N 414.483 1.732 30 10 HDEE C[C@H](CC(=O)N1CCC(O)(C2CCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 1456629336 VVKAECYDXZIWCT-CQSZACIVSA-N 405.520 1.657 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1C[C@@]23CCCC[C@@]2(CN(C)C3)C1 1457325336 NPCUNLVQETWPMW-HBGVWJBISA-N 416.547 1.559 30 10 HDEE O=C(NCCNC(=O)c1cccc(C#CCO)c1)c1cccc(Br)c1 1464702639 AJCKXJMFZHSBAD-UHFFFAOYSA-N 401.260 1.953 30 10 HDEE Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 1464760781 NRIYXYAPEYAOPZ-UHFFFAOYSA-N 417.466 1.447 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC[S@](C)=O)CC3)n[nH]2)c1C 1465321179 KASOOXYJCYLUJD-NDEPHWFRSA-N 404.540 1.212 30 10 HDEE CC1(C)OB(C2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)OC1(C)C 1471647974 OAXNIIKROMPKRI-OAHLLOKOSA-N 400.350 1.885 30 10 HDEE CN(CCC#N)C(=O)CCN1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1473130737 BSEREHULWMBYQA-MRXNPFEDSA-N 409.531 1.101 30 10 HDEE COCCOCCOCCN(C)C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1478403039 HLFBUVJYNQXWTQ-CVEARBPZSA-N 414.503 1.066 30 10 HDEE Cc1nnc(N2CCO[C@H](c3cccc(C#N)c3)C2)n1CCCn1cc(CO)nn1 1492946748 BHBHRIXCDFMZKX-IBGZPJMESA-N 408.466 1.210 30 10 HDEE COC[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1)OC 1504590754 YWBSKNJSIYEKFM-KBPBESRZSA-N 407.421 1.537 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1CCC(=O)NC(C)(C)C 1504964339 HMBZYUVOZRKASN-KUHUBIRLSA-N 410.494 1.749 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCCN(C)CC(F)(F)F 1507514121 MLTSVLGUFVAQQN-CQSZACIVSA-N 400.449 1.856 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCCS1(=O)=O 1507549009 XPMRGLQYCDVXHM-BRWVUGGUSA-N 423.583 1.690 30 10 HDEE C#CCCCCn1c(C(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1507553578 GZCZNRZDLCZSSD-UHFFFAOYSA-N 402.543 1.186 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC2(CCN(C)C2=O)CC1 1507589190 UVBMBJWOIJVKJU-MRXNPFEDSA-N 419.551 1.042 30 10 HDEE C#CCN(C)c1nnc(Cc2ccccn2)n1CCNC(=O)c1cccc(OC)c1 1507619934 GPXQUESYGJTJNE-UHFFFAOYSA-N 404.474 1.772 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1Cc1cccc(N2CCOCC2)n1 1507621046 ZTVXDIWBLIQMEV-UHFFFAOYSA-N 403.490 1.613 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1CCN1CCCCC1)[C@H]1CCS(=O)(=O)C1 1507635263 VHYXMLJRXDJUOE-SFHVURJKSA-N 407.584 1.589 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1Cc1nncn1CC 1507656681 IYGVUOAUHXCDCY-UHFFFAOYSA-N 408.491 1.002 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(C)c2)n1Cc1cccnc1OCCOC 1507665670 RLJAUINTFMKYIT-UHFFFAOYSA-N 419.489 1.610 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cc(Br)cn1 1507688676 BMRVJTIAQHOCFM-CQSZACIVSA-N 420.315 1.738 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccnc2)n1C[C@@H](C(C)C)N1CCOCC1 1507708713 MGKBJRCHLDMNQF-FQEVSTJZSA-N 412.538 1.783 30 10 HDEE C#CCN1CCN(c2nnc(-c3cc(-c4ccccc4)[nH]n3)n2CCC(=O)NC)CC1 1507718567 QDASSRCQUIRIST-UHFFFAOYSA-N 418.505 1.227 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2CC2CC(F)(F)C2)CC1 1507727016 MZSDDIQWKRDAFB-UHFFFAOYSA-N 403.481 1.940 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C)N(C)C2CC2)CC1 1507736801 SGGGZNIJJKPOLC-QGZVFWFLSA-N 421.549 1.789 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2ccsc2)CC1 1507737772 FCRJVRKTMBEFTH-UHFFFAOYSA-N 407.503 1.811 30 10 HDEE C=CCC(C)(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cnn(C)c1 1507914298 JZEYSKDTCXAZIX-CQSZACIVSA-N 409.560 1.861 30 10 HDEE C=CCC(C)(C)Cn1c(CC2CC2)nnc1N1CCN(C(=O)Cn2cnnn2)CC1 1507923325 QOBJFZITLDBFHK-UHFFFAOYSA-N 413.530 1.168 30 10 HDEE C=CCCOCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](C)C1 1507960067 QCZFWJSNKVFFQN-INIZCTEOSA-N 410.482 1.739 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1CCC(CCCO)CC1 1508092951 SESCUUUJONMRQQ-UHFFFAOYSA-N 415.542 1.431 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccccc2F)C1 1508111175 WYLZEKIPMFRRAT-HOCLYGCPSA-N 423.514 1.857 30 10 HDEE CC(C)c1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCC(=O)N(C)C 1509002924 OABUDETYFQEHPC-UHFFFAOYSA-N 410.526 1.863 30 10 HDEE C[C@]1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@H](C#N)C2)COCCO1 1510351077 XKRRNSXEZDVFFJ-KNQAVFIVSA-N 411.506 1.988 30 10 HDEE CCCC1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCO[C@@H](C#N)C2)CCC1 1514359207 CGQFODSQQYEIHL-HOTGVXAUSA-N 407.540 1.879 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)cc2C1=O 1526564555 BBGPWMLJLBKPCV-CQSZACIVSA-N 410.451 1.770 30 10 HDEE C#CC[C@H](CCOC)NC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c1 1530725941 WMKIWHAGYKYBCY-XYJFISCASA-N 408.520 1.643 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2ccnnc2)cc1 1530976912 YQVPCHVWUAGFJV-QGZVFWFLSA-N 415.475 1.494 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3C[C@@]4(C)CS(=O)(=O)C[C@@]4(C)C3)CC2)o1 1534201111 OCIKKBRMINLFDG-KDURUIRLSA-N 406.508 1.354 30 10 HDEE COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](C#N)C1CCCC1 1536416048 OLIXMDDYMUAPGS-QGZVFWFLSA-N 407.492 1.528 30 10 HDEE CN(C(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(C#N)nc1 1537998181 BJWBKVWNFYBWDG-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE N#CC[C@H](NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12)C(F)(F)F 1538301808 MGTSJHUYPBIYPQ-NSHDSACASA-N 404.395 1.872 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(C)nc1)[C@@H]1CCS(=O)(=O)C1 1539212897 YTCLLTKZDJMWHP-GOSISDBHSA-N 422.514 1.719 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](F)COC 1539266161 MRRLQHFNZKEUJU-GOSISDBHSA-N 411.485 1.509 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCC1CCOCC1 1539415731 GJEYLPARZSAHHF-GOSISDBHSA-N 424.567 1.473 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 1539490922 JUJCLPUMYBMDRP-CABCVRRESA-N 404.540 1.030 30 10 HDEE C=C(Br)Cn1c(CC)nnc1N1CCN(CC(=O)N2CCCC2)CC1 1539599557 HOHHXSMIUZIRRB-UHFFFAOYSA-N 411.348 1.494 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCS(=O)(=O)NC 1539659302 QZMGONLHRSIGGW-UHFFFAOYSA-N 407.496 1.625 30 10 HDEE C=CCCOCCn1c([C@@H]2CCCOC2)nnc1N1CCN(c2cccnn2)CC1 1540036966 YJXKXYKYLLYPSE-GOSISDBHSA-N 413.526 1.881 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1540894593 AXPCOUKMSRKXCR-MJGOQNOKSA-N 422.489 1.789 30 10 HDEE N#CC1(CC(=O)N2CCC[C@@H](NS(=O)(=O)c3cccc(F)c3)C2)CCOCC1 1543051181 PEFLGGYZSHOPNE-MRXNPFEDSA-N 409.483 1.805 30 10 HDEE C[C@@H]1COCCN1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@](C)(C#N)C1 1545123055 HASKVRHEIZIDFS-GQIGUUNPSA-N 401.515 1.080 30 10 HDEE CNC(=O)[C@H]1CN(C(=O)c2cn(C)cn2)CCN1c1ccc(C#N)c(C(F)(F)F)c1 1548367886 UGKOROZQGBAZKE-MRXNPFEDSA-N 420.395 1.388 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1nc(C)c(C)s1 1555671219 ZMWWZTNATVNPLI-HIFRSBDPSA-N 406.512 1.853 30 10 HDEE C#C[C@@H](CO)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1 1556794977 QVLHCWHWNSZXMK-KRWDZBQOSA-N 414.483 1.561 30 10 HDEE COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)NCC1(C#N)CCC1 1557065930 ARKSKCJRVGPNTI-OAHLLOKOSA-N 407.492 1.038 30 10 HDEE COc1ccc(C2CCN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC2)nc1 1557354255 NUIDEQRSRHVQTR-UHFFFAOYSA-N 414.487 1.646 30 10 HDEE C=CC[C@]1(C(=O)N2CCC(NS(N)(=O)=O)CC2)CCCN1C(=O)OC(C)(C)C 1557879989 BGWWWNUXDAXSNL-GOSISDBHSA-N 416.544 1.116 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)[C@H](CO)NC(=O)OCc3ccccc3)C2)nc1 1558465933 RWJPASVIAHWCQM-MOPGFXCFSA-N 423.473 1.643 30 10 HDEE C[C@@H]1C[C@@H](NC(=O)COc2cccc(Br)c2C#N)CCS1(=O)=O 1558518107 STMNTRPCTPUWMF-MNOVXSKESA-N 401.282 1.781 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(C)nn(Cc2ccccc2)c1C 1561149386 SNQPRDPLCJSMFM-SFHVURJKSA-N 421.544 1.359 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)S(=O)(=O)CC(C)(C)C(=O)OC 1561922044 ALRXBSPKIRXAJW-UHFFFAOYSA-N 416.540 1.850 30 10 HDEE N#Cc1nc(NC(=O)N2CCC(n3c(O)nnc3O)CC2)ccc1Br 1563138423 HSDHCHQOCHZTID-UHFFFAOYSA-N 408.216 1.587 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCc2ccc(OCC(=O)NCC)c(OC)c2)C1 1563565884 JJCXQONOTIASAR-QGZVFWFLSA-N 402.495 1.107 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2ccccc2S(C)(=O)=O)c1 1570365064 KSUNUXDSCUTAPX-UHFFFAOYSA-N 408.501 1.484 30 10 HDEE Cc1ccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2)cc1S(=O)(=O)NCC#N 1583185031 QFWMTLOYFOVCEM-OAHLLOKOSA-N 415.471 1.659 30 10 HDEE C=CCC1(NC(=O)C[C@@H]2CN(C(=O)OC(C)(C)C)CCS2(=O)=O)CCOCC1 1583952739 JJRZEJIIUSEASX-OAHLLOKOSA-N 416.540 1.652 30 10 HDEE N#Cc1c(NC(=O)CN2C(=O)[C@@H]3[C@H]4CC[C@@H](O4)[C@@H]3C2=O)cccc1OC(F)(F)F 1584771394 WDMPATTTZCOSDC-GBOPCIDUSA-N 409.320 1.558 30 10 HDEE C#C[C@@H](NC(=O)C1CCN(S(=O)(=O)c2ccccc2F)CC1)C1CCOCC1 1587808539 APSPXMWDMWAZOF-GOSISDBHSA-N 408.495 1.771 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1587852247 UBBIMBOOXNGLMJ-BZSNNMDCSA-N 400.527 1.190 30 10 HDEE C#CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N(C)[C@@H](C)CC(N)=O 1587855736 AOWUNWPYQOHTFA-INIZCTEOSA-N 410.526 1.566 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H](OC)C1CC1)[C@@H]1CCS(=O)(=O)C1 1588054323 NKRZEOUDPJLJIO-MSOLQXFVSA-N 406.552 1.987 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1CC(=O)NCC=C 1588078178 CJSQLEGYJUJGQZ-UHFFFAOYSA-N 404.474 1.522 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc(S(C)(=O)=O)c1)C(=O)OCC 1588121602 HIIDLNVXUMVLQC-CYBMUJFWSA-N 404.828 1.802 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H](OC)C2CC2)CC1 1588751018 HVLVSFFTEAHYKQ-RXVVDRJESA-N 403.527 1.110 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCC=CO2)CC1 1588930454 WNCKMVRZSPIKJW-RBUKOAKNSA-N 413.522 1.831 30 10 HDEE C#CCSCCn1c(-c2ccc(OC)cc2)nnc1N1CCN2CCOC[C@@H]2C1 1589036634 MADYPRNNTIYHCY-SFHVURJKSA-N 413.547 1.841 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(CCCOC(C)(C)C)CC2)cc1 1589040700 ZVZQYNGDTMXMCV-UHFFFAOYSA-N 421.563 1.561 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](c2ccnn2C)C1 1589060719 XHHIZNFTFZYLHK-HZPDHXFCSA-N 413.551 1.713 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@H](C)CS(=O)(=O)CC 1593635923 CTEIOADXFJQLLU-KGLIPLIRSA-N 404.558 1.016 30 10 HDEE C=CCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@H](C(N)=O)C1 1594798027 MJTJXQJGJDSCIL-MRXNPFEDSA-N 413.478 1.621 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCC1 1595260016 FUMHOENXYAJTAG-MRXNPFEDSA-N 420.535 1.923 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2ccccc2C#N)CC1 1595550637 GELKVOLIBDUEJO-GOSISDBHSA-N 421.505 1.282 30 10 HDEE C=CCNC(=O)Cn1c(N(C)C[C@@H]2CCCCO2)nnc1[C@@]1(OCC)CCOC1 1595595430 UQHJLNNGKMVEEM-OXJNMPFZSA-N 407.515 1.238 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN2C(=O)OC[C@@H]2C1 1595890314 PEEDWMONUNOHAC-INIZCTEOSA-N 400.508 1.824 30 10 HDEE C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C[C@H](C)C=CC(=O)[C@](C)(O)[C@@H]1OC(C)=O 1614586024 COWWBPRRBQOULA-PYUNZZMJSA-N 406.431 1.420 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)NCc1ccc(C(=O)NO)cc1)C2=O 1618008543 WYPHYGFXLKESAJ-FQEVSTJZSA-N 402.451 1.313 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC(CCC(=O)OC)CC2)s1 1621401525 MCJHLJCOLNQYSI-UHFFFAOYSA-N 414.549 1.947 30 10 HDEE CCOC(=O)C[C@@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccc(C#N)nc2)CC1 1622523902 HUZRSPWDIUKOIR-AWEZNQCLSA-N 420.413 1.289 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cccc(N3CCCCCC3)c2)CC1 1623114342 JZKLIRFBLBHIPR-UHFFFAOYSA-N 419.551 1.684 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC[C@H](O)CNC(=O)OC(C)(C)C)cc2C1=O 1624420824 SSSCWGDBMGBBHX-ZDUSSCGKSA-N 403.435 1.084 30 10 HDEE C#CCOc1ccc(C(=O)N2CCN(c3ccc(S(=O)(=O)NC)cc3)CC2)cc1 1625228094 OBUCZLBGVWLBDH-UHFFFAOYSA-N 413.499 1.569 30 10 HDEE C=C(C)Cn1c(SCC(=O)NCCCC2=NNC(=O)C2)nnc1-c1ccco1 1625583684 BLPUUVAEULMQAR-UHFFFAOYSA-N 402.480 1.979 30 10 HDEE CC(C)NS(=O)(=O)N1CCN(C(=O)c2cn(CCCC#N)c3ccccc23)CC1 1629660265 WPYRPDWEIAFWII-UHFFFAOYSA-N 417.535 1.946 30 10 HDEE CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1632688525 SZSSQKDZIGYXQL-JZXOWHBKSA-N 409.508 1.174 30 10 HDEE C#CCN1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2cccc([N+](=O)[O-])c2)CC1 1634011384 FZZRDXZSCRXWPI-GOSISDBHSA-N 418.519 1.614 30 10 HDEE C#C[C@@H](NC(=O)c1ccc(I)cc1-n1cnnn1)[C@@H]1CCCO1 1634532577 ZVYSEGDEGVERER-OCCSQVGLSA-N 423.214 1.178 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCCSc1ccccn1 1635103262 OUECOLWLJOTNHH-CQSZACIVSA-N 404.517 1.919 30 10 HDEE Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)CCn1cc(C#N)c(O)nc1=O 1635559739 HHHAOBPORVIHNI-UHFFFAOYSA-N 400.345 1.528 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H]3C)C2)s1 1635807259 CRZUIKWNXMVKCM-IYOUNJFTSA-N 414.549 1.550 30 10 HDEE CN(C[C@@H](O)c1cccc(C#N)c1)C(=O)NC[C@H]1CN(Cc2ccncc2)CCO1 1637433712 XQQPUBMWWHJVBC-LEWJYISDSA-N 409.490 1.529 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@@H]1C(=O)N[C@H](CO)[C@@H]1CCOC1 1637561118 HWDOCQZVPFTFGH-BHIYHBOVSA-N 415.490 1.906 30 10 HDEE CC(C)[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)C1(CO)CCCC1 1640322523 HCBLLKAQYUFELR-QAPCUYQASA-N 407.536 1.919 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@H](COC)c2cccc(OC)c2)c1 1640969899 KFRZEAJMSAQGQF-LJQANCHMSA-N 402.472 1.724 30 10 HDEE C#CC1(O)CCN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 1641041435 WVTLAJXHJMZICR-UHFFFAOYSA-N 404.532 1.781 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCc2ncn(-c3ccccc3)n2)s1 1641518181 UHKHXLYELYUAQO-UHFFFAOYSA-N 417.516 1.652 30 10 HDEE C=CCOCCCNC(=O)C[C@@H]1CS(=O)(=O)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1641552683 WBYOEHYUZQWVET-BZUAXINKSA-N 416.540 1.366 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1 1643524851 MWNJFBVTHXREAQ-SNVBAGLBSA-N 404.288 1.411 30 10 HDEE CCn1cc(C#N)c(=O)n(C[C@@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)c1=O 1643615389 IXANEKUTTZHKFU-YWZLYKJASA-N 404.467 1.318 30 10 HDEE C#CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 1644470055 PVBNEJMQLIEKKM-ZWKOTPCHSA-N 419.547 1.688 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc(CCC(=O)OC)c1)c1cc[nH]n1 1644513504 GQLLPQRXXXNVJH-UHFFFAOYSA-N 402.407 1.438 30 10 HDEE C#CCN1CCC(NC(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1644947546 FFZLHSQJWMCIQF-SFHVURJKSA-N 416.547 1.498 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)nc2)s1 1645017562 XLNIDFBQGAEWFQ-UHFFFAOYSA-N 408.505 1.490 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CC(=O)NCCN2C(=O)CNc2ccc(C#N)cc2)C1 1648016513 LBBGDJJIGNMRMG-UHFFFAOYSA-N 413.478 1.308 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 1648119285 SSAWHBLNNIYXQS-KBPBESRZSA-N 419.551 1.703 30 10 HDEE COC(=O)c1csc(CN2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)n1 1652861385 ADMKCCONULDKBP-UHFFFAOYSA-N 406.489 1.308 30 10 HDEE COC(=O)CN(Cc1cc(OC)cc(OC)c1)C[C@@H](O)CC1(C#N)CCOCC1 1653221709 YXWWPHORYLROFD-KRWDZBQOSA-N 406.479 1.750 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3c(Cl)cccc3OCC3CC3)C2)c(=O)nc1O 1653763352 UTCFHWJNIDVABW-UHFFFAOYSA-N 400.822 1.960 30 10 HDEE CCOC(=O)[C@@](C)(NC[C@@H](O)CC1(C#N)CCC1)c1ccc(S(C)(=O)=O)cc1 1654303099 HVVZNWNBTSKGGF-LPHOPBHVSA-N 408.520 1.903 30 10 HDEE CN(CC(=O)NCC#Cc1cccc(C(F)(F)F)c1)Cc1nnc2c(=O)[nH]ccn12 1655480389 NBVWPDNEGSMIIZ-UHFFFAOYSA-N 418.379 1.036 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC(NC3CCOCC3)CC2)c1 1657472512 ZLPWTOXDZAYWNG-UHFFFAOYSA-N 407.536 1.524 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCc2nc(-c3cccc(Cl)c3)no2)CC1 1658100224 MBKLRBGJJGGEIW-UHFFFAOYSA-N 409.899 1.018 30 10 HDEE N#CCCN(CCC#N)C(=O)CN1C[C@@H]2CCCS(=O)(=O)[C@@]2(C(F)(F)F)C1 1660648441 YDORTGNZHPANPO-ZFWWWQNUSA-N 406.430 1.084 30 10 HDEE CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N3CCN(C(=O)CC#N)CC3)cc21 1664160484 LXQKOAUPKVGTGN-AWEZNQCLSA-N 404.492 1.293 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)NCC(=O)NCC(=O)NCc2ccccc2)cc1 1668210113 KAJIZGKHEZYNLA-UHFFFAOYSA-N 423.473 1.157 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2OC2CCCC2)CC1 1669835934 LBGNEGKPMREMFS-UHFFFAOYSA-N 424.498 1.764 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NC1CCN([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 1672932371 SMMXSFAMEJDHFZ-VQIMIIECSA-N 419.547 1.659 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2=O)cc1 1682021503 HKRNTFGYYRGNRS-MSOLQXFVSA-N 405.462 1.345 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@H]2CCN(CC(F)F)C2)nn(-c2ccccc2)c1N 1683258597 BMLOEZOUPIOKNB-AWEZNQCLSA-N 417.464 1.897 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C(=O)c2ccc(OC)cc2OC)CC1 1683479567 IMLUXGGJBQPHFT-YJBOKZPZSA-N 403.479 1.762 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(-c3cnccn3)n2CC2(C)COC2)c1 1689870562 RVWNXMDPRADZIB-UHFFFAOYSA-N 417.473 1.828 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@](O)(c1ccccc1)C(F)(F)F 1689962614 LNQCYXBJCZHKBK-KSSFIOAISA-N 407.396 1.749 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[C@@H]2CCO[C@@H](C)C2)CC1 1690122298 MVPWFGSPBQMLTO-KSZLIROESA-N 400.527 1.190 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1690169414 ALWBFURTKICWOO-HNNXBMFYSA-N 411.535 1.597 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1ccco1 1690206462 RTDITRJUMOVXSM-CDHQVMDDSA-N 418.519 1.673 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1690288010 CVOWKMKMFOWYAQ-GOEBONIOSA-N 406.512 1.068 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(C)=O)CC1 1690510668 BJUNCYZYVOHFCY-UHFFFAOYSA-N 401.515 1.401 30 10 HDEE C=CCN(C)c1nnc(CC(C)(C)C)n1CCS(=O)(=O)N1CCSCC1 1690527446 OLBUKDGZFRFEPW-UHFFFAOYSA-N 401.602 1.868 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CCC[C@@](C)(OC)C1 1690669674 LZNDITSWKIHAJD-HXUWFJFHSA-N 416.482 1.313 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(F)cc2)nnc1N1C[C@H](C)O[C@@H](C)C1 1690676136 QPUHFUPDAWNGAQ-GJZGRUSLSA-N 403.458 1.912 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(C(N)=O)C1 1690752398 HBCGFXYJYABMCR-DOXZYTNZSA-N 409.556 1.623 30 10 HDEE Cc1nnc(CCn2c(-c3cccc(C#N)c3)nnc2N2CCN(C)C(=O)[C@H]2C)s1 1693446439 HYNSOKINAUCYIW-CYBMUJFWSA-N 422.518 1.886 30 10 HDEE CCS(=O)(=O)NCCCn1c(-c2cccc(C#N)c2)nnc1N1CCSCC1 1696498487 PHMJOCMEKZCUMB-UHFFFAOYSA-N 420.564 1.699 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Cl)cc2OC)n1CCN1CCCS1(=O)=O 1705546729 JLFNZDCLMNASKJ-UHFFFAOYSA-N 423.926 1.712 30 10 HDEE C#CCN(c1nnc(C2CC2)n1Cc1c(C)nn(C)c1C)[C@@H]1CCS(=O)(=O)C1 1705567174 VJQPODZAQHNZTI-MRXNPFEDSA-N 402.524 1.181 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@@]1(O)CCOC1 1705593922 YPAUHMCNIFVMJH-QFIPXVFZSA-N 410.474 1.577 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@](C)(O)CCOC)CC1 1705761707 XSDQSWHCSVTTGU-HXUWFJFHSA-N 400.483 1.869 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1705848659 MLBQAUIRZYCYNA-INIZCTEOSA-N 409.450 1.339 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C)n3CCCn3ccnc3C)CC2)c1C#N 1707807521 CORKYIZTHKZQGG-UHFFFAOYSA-N 408.514 1.422 30 10 HDEE CCOCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1710627405 GXUNIGJIVSHPDA-KBXCAEBGSA-N 413.519 1.685 30 10 HDEE COCCN(C)CCn1c(CC2CC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1712425924 KRRJBMANNOOMMG-UHFFFAOYSA-N 411.510 1.344 30 10 HDEE COCCOCCn1c(Cc2ccccc2OC)nnc1N1CC[C@](F)(C#N)C1 1712618754 GVNUSXRHKGHCJT-FQEVSTJZSA-N 403.458 1.982 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(CC(C)C)CC1 1722296063 NFEBSMXSHJFWPI-IAGOWNOFSA-N 423.583 1.895 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2ccccc2OC)n1CC1(O)CCOCC1 1722304045 VEWIWIUYRLVNRS-MRXNPFEDSA-N 400.479 1.865 30 10 HDEE C#CCCCn1c([C@H]2CCCO2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1722342159 SRFAEDZDMVMKOX-SJLPKXTDSA-N 406.494 1.920 30 10 HDEE C#CCN(CC#C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@](C)(O)C(C)C 1722384678 XFCLBKSWOQKBPF-HSZRJFAPSA-N 421.549 1.932 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)CC)n2C[C@H](C(C)C)N2CCOCC2)CC1 1722431278 IYTUQOXHOCQFAP-VQTJNVASSA-N 402.587 1.904 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N(C)C2CC2)CC1 1722433376 SYZQWCLESQREKU-XMSQKQJNSA-N 416.570 1.168 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)C(C)(C)C)CC1 1722436350 DOAYFRLQOPDDRQ-QGZVFWFLSA-N 402.543 1.090 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCNS(=O)(=O)CC 1722472720 RPTZHSSRIYVCDB-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(C)CN(C)C1=O 1722661923 AODZGVGECYCJEV-QRWLVFNGSA-N 414.535 1.962 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCN2CCOC2=O)C1 1722711373 DOAWXBGIBPJVHX-INIZCTEOSA-N 401.471 1.302 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCc3ccc(OC)cc3)n2Cc2nnn(C)n2)C1 1722721272 SESIFCHNTDEWLX-SFHVURJKSA-N 424.509 1.425 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2ccc3ccccc3n2)n1CC(=O)N1CCOCC1 1722864854 CNWSSVIRNHALDF-MRXNPFEDSA-N 419.489 1.948 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H]2CCNC(=O)[C@H]2C1 1729304057 CCYLTEFWJDPUPQ-AEFFLSMTSA-N 421.505 1.257 30 10 HDEE CNS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 1729741046 GPKBKPUPAHXDEE-ZIAGYGMSSA-N 420.564 1.696 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(C(=O)c2ccco2)CC1 1740584790 KEZRRIZLIFHHFQ-QGZVFWFLSA-N 415.494 1.971 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CC1(O)CCOCC1)[C@@H]1CCS(=O)(=O)C1 1740622374 BZXGSXYOMVCHNR-QGZVFWFLSA-N 422.551 1.104 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCc1ccc(F)c(F)c1 1740630717 KTDGXIAUOZIGQQ-AWEZNQCLSA-N 421.473 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](F)COC 1740630827 MHOQUUFJMQTPLB-INIZCTEOSA-N 404.467 1.406 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccn2)n1Cc1ccnc(-n2cccn2)c1 1740642427 VKMIXAGQRIKQSO-UHFFFAOYSA-N 408.469 1.966 30 10 HDEE C#CCSCCn1c(COc2ccc(OC)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1740722612 KJNFVNRBZNHNGG-OAHLLOKOSA-N 415.519 1.544 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1740887309 FZHBZFZQXWPOBF-DYESRHJHSA-N 416.526 1.860 30 10 HDEE C=CCN(CC=C)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCNC(=O)C1)C(C)C 1740928039 ZWGAKFXPIUTYDY-OALUTQOASA-N 416.570 1.807 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCNC(=O)C(C)(C)C 1741131262 RWVNDXBZVCBPBW-ZDUSSCGKSA-N 415.498 1.764 30 10 HDEE CCC(CC)c1cc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)on1 1744003320 DSVFWXKDUKPUMI-HOTGVXAUSA-N 413.482 1.898 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN(C)S(=O)(=O)CC 1748677012 AUTDIBOQAZVNJF-INIZCTEOSA-N 404.540 1.393 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCOc2ccccc2)n1Cc1nnnn1CC1CC1 1748680412 RUVNFUPTMJJIDX-INIZCTEOSA-N 406.494 1.802 30 10 HDEE C#CCCCCn1c(-c2ccc(OC)cc2OC)nnc1N1CCN2C(=O)NC[C@@H]2C1 1748706966 WPXNXYIINCVXKE-MRXNPFEDSA-N 424.505 1.980 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1748824377 OTIODLIVSCQAMM-HZPDHXFCSA-N 410.540 1.307 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN(C)C2CCCC2)CC1 1748971331 MALLHBASIBNJAS-UHFFFAOYSA-N 413.570 1.144 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@H](COCCOC)C1 1749269690 UULVUPIPSAGCRG-CABCVRRESA-N 418.947 1.422 30 10 HDEE C=CCCOCCn1c(C(C)C)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1749445464 PAWOOQOMCAANSD-GOSISDBHSA-N 404.559 1.737 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 1749676399 PERPUFVHRVWHKS-HOTGVXAUSA-N 414.535 1.480 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CC[C@@H](N2CCCCC2)C1 1749676603 WRSFTVOLVMTRHE-LJQANCHMSA-N 409.538 1.631 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ncn(C)n2)C1 1750059557 GGYUHJGHPGGGLQ-KRWDZBQOSA-N 408.466 1.235 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1Cc1cccnc1OC 1750154766 UDNYMHDCVNPOFY-ULQDDVLXSA-N 414.466 1.183 30 10 HDEE CON(C)c1nnc(Cn2ccc3ccccc32)n1CCN/C(O)=C1/N=CC=CC1=O 1750168538 UGZBAKSJPIPOSM-VXPUYCOJSA-N 421.461 1.805 30 10 HDEE C#CCN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccccc1 1760225531 SDJBASOZVZMCCU-DNVCBOLYSA-N 405.524 1.256 30 10 HDEE C#CCN(CC)c1nnc(COCC)n1Cc1ccc(N2CCN(CC)CC2)nc1 1760239823 XAQPQAACRRZGKD-UHFFFAOYSA-N 411.554 1.859 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1C[C@H](C)N1CCC(C)CC1 1760250020 AJEBQBDRAKXMLH-IBGZPJMESA-N 416.570 1.607 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCOC2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 1760306110 BXEUGGAFXJEPIG-MGPQQGTHSA-N 410.316 1.938 30 10 HDEE C=C1CCN(c2nnc([C@]3(OCC)CCOC3)n2CCN2CCOC[C@@H]2C)CC1 1760383656 VRJKRRQFJMTZQY-RXVVDRJESA-N 405.543 1.807 30 10 HDEE C=C1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1760388266 KFPGITKDBSHFQM-OAHLLOKOSA-N 405.528 1.117 30 10 HDEE C=CCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(=O)NC 1760436252 NHNMIADWQHEUAK-UHFFFAOYSA-N 419.555 1.777 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)CCC(=O)NC 1760518301 PEXVFTBMFNWKLG-UHFFFAOYSA-N 408.865 1.612 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCc2ccn(C)n2)C1 1760549346 CCKVPXUBSPDMCU-LJQANCHMSA-N 410.526 1.897 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(C)Cc2ccccn2)n1Cc1ccc(C#N)o1 1761468374 WFIYEBTVPDBDEB-CYBMUJFWSA-N 415.479 1.433 30 10 HDEE Cn1cccc1-c1nnc(N2CCCOCC2)n1CCN/C(O)=C1\N=CC=CC1=O 1769041192 UZXXILXTRZZBSI-HTXNQAPBSA-N 411.466 1.037 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(C)=O)CC1 1769271937 GURKGUPAWQZWSF-KRWDZBQOSA-N 400.458 1.906 30 10 HDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC(=O)N1CCOCC1 1770733942 FOIWJDAZZVFWRM-MRXNPFEDSA-N 412.494 1.394 30 10 HDEE COC[C@@H](Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@](F)(C#N)C1)OC 1770755760 GUQFSXQTHMOUQW-FZKQIMNGSA-N 403.418 1.029 30 10 HDEE N#Cc1ccc(OCCO[C@H]2C[C@H]3C(=O)N(Cc4ccccc4)CC(=O)N3C2)cc1 1848606786 GUNSPOGTVCZRMK-SFTDATJTSA-N 405.454 1.966 30 10 HDEE C[C@@H](C(=O)NCC1(C#N)CCOCC1)S(=O)(=O)c1ccc(C(F)(F)F)cn1 1853042157 JUPPHVGBNJKTPO-NSHDSACASA-N 405.398 1.699 30 10 HDEE CCOC(=O)Cn1c(C)c(C)c(C#N)c1NC(=O)c1cc(N2CCN(C)CC2)ccn1 1853078229 XCPOYPSJNVMDJG-UHFFFAOYSA-N 424.505 1.939 30 10 HDEE N#Cc1ccc(OCCN2CCN(C(=O)[C@H]3COCCO3)C(=O)C23CCCC3)cc1 1853616798 BMQNGGRSUPNXNK-LJQANCHMSA-N 413.474 1.336 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C(C)(C)C2=O)CC1=O 1853734496 QXWNOPGILKWKCX-CQSZACIVSA-N 400.504 1.604 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC[C@H](N3CCC(c4cnco4)CC3)C2=O)CC1=O 1853784865 PTFMYOGQBMWBHO-SJORKVTESA-N 400.479 1.406 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@@H]3CCCO3)C3(CCCCC3)C2=O)CC1=O 1853926845 ICWQHNNFOYCXCO-ROUUACIJSA-N 403.523 1.574 30 10 HDEE CN(C)C(=O)[C@@]1(F)CCN([C@H]2CCCCN(C(=O)c3cccc(C#N)c3)C2=O)C1 1854837062 DMNCAOGFTQGBAW-LAUBAEHRSA-N 400.454 1.582 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@@H](CN(C)CCc3scnc3C)CCC2=O)CC1=O 1854862036 FMHLHSWFPKVVGX-IAGOWNOFSA-N 418.563 1.726 30 10 HDEE C=CCCN1CCC([C@H]2CC(=O)N(C(=O)[C@H]3CCCCN3S(C)(=O)=O)C2)CC1 1855012343 ZSOMEESSPWMCKE-ZWKOTPCHSA-N 411.568 1.464 30 10 HDEE N#Cc1cccnc1OCC1CCN([C@@H]2CCCN(C(=O)[C@@H]3CCOC3)C2=O)CC1 1855592105 BASYUFOYNYTTOP-RTBURBONSA-N 412.490 1.598 30 10 HDEE C=CCN1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)C1(C)C 1856377051 JJHKMWGVRBEYPO-UHFFFAOYSA-N 403.454 1.298 30 10 HDEE Cc1ccc(C(=O)N2CC[C@H](N(C)C3CN(c4nccnc4C#N)C3)C2=O)cc1F 1857148613 CZPICPOVAYIXBI-SFHVURJKSA-N 408.437 1.358 30 10 HDEE N#C[C@H]1CC12CCN(C[C@H]1CC(=O)N(C(=O)c3cnc4ccccn4c3=O)C1)CC2 1857207711 RTEIYTAGNDCABM-HZPDHXFCSA-N 405.458 1.309 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)COc2ccc(Cl)cc2)C1)[C@H]1CCN(C)C1=O 1857237070 UFTZVQUNJDWTRF-YJBOKZPZSA-N 419.909 1.813 30 10 HDEE C=CCNC(=O)[C@@H](CCC(N)=O)NC(=O)c1cccn(Cc2cc(C)ccc2C)c1=O 1860994002 FOHVSKWYEOVEKD-LJQANCHMSA-N 424.501 1.180 30 10 HDEE COc1ccc(-n2nc(C(=O)Nc3ccc(C#N)cc3[N+](=O)[O-])c(O)cc2=O)cc1 1866269872 GLJVAEMAUZDYGM-UHFFFAOYSA-N 407.342 1.979 30 10 HDEE CC[C@@H](C)[C@@H](N=C1NS(=O)(=O)c2ccccc21)C(=O)N1CCC(N(C)C)CC1 1869929167 ASXMIDBFOKHBHK-RDTXWAMCSA-N 406.552 1.692 30 10 HDEE C#CCOc1cn(CCc2ccc(C)cc2)c(CN2CCN(CCO)CC2)cc1=O 1870561047 WZXZOIDRVKMQIH-UHFFFAOYSA-N 409.530 1.521 30 10 HDEE Cc1nc(C2=C(N)N(CCNC(=O)OC(C)(C)C)CC2=O)sc1C(=O)N(C)C 1872724731 PISKJAVSOBCQGJ-UHFFFAOYSA-N 409.512 1.190 30 10 HDEE C=CCNC(=O)c1cc2c(N(CCO)Cc3ccccc3)ncnc2n1CCOC 1873590540 XDMIAARNPXCMOT-UHFFFAOYSA-N 409.490 1.992 30 10 HDEE C=CCN(CCC(=O)N[C@@H](CO)CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C 1885928132 JCAYCCCRGFXLSV-CQSZACIVSA-N 401.504 1.801 30 10 HDEE CC(C)N1C(=O)CS[C@@H](C(=O)NCCN2CCOCC2)[C@H]1c1ccc(C#N)cc1 1889054810 AAIRYWHBQCPFPP-WOJBJXKFSA-N 416.547 1.400 30 10 HDEE CCOc1ccc(CC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)cc1 1890143747 FTTKPSDAQKQNCP-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)Cn3cnc4ccccc4c3=O)C2)c1 1891267833 INIBLNGIGFWOPO-QGZVFWFLSA-N 403.442 1.981 30 10 HDEE CN(C)c1nccnc1OCC1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 1891575824 BCRCKQOQQAMHDZ-UHFFFAOYSA-N 401.492 1.894 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H](C(=O)Nc2ncc(B3OC(C)(C)C(C)(C)O3)cn2)O1 2010406587 WJSBXDLLSYDUPU-CYBMUJFWSA-N 420.275 1.655 30 10 HDEE C[C@]1(C#N)CCCN(S(=O)(=O)C[C@](C)(F)CN2C(=O)c3ccccc3C2=O)C1 2051632798 MTFNKNSYFMHIMA-RTBURBONSA-N 407.467 1.966 30 10 HDEE C[C@@H](C#N)S(=O)(=O)N[C@H]1COC2(CCN(C(=O)OCc3ccccc3)CC2)C1 2054405392 KRKUQMCVNSQKAD-DOTOQJQBSA-N 407.492 1.778 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)N2CCC(C#N)CC2)CC(F)(F)C1 2174780168 RBCDUVCMCPCRBZ-UHFFFAOYSA-N 408.471 1.655 30 10 HDEE C#CCN(C(=O)[C@H](F)CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCS(=O)(=O)C1 2180112072 CGJCEKBHUDWOLS-LSDHHAIUSA-N 402.488 1.230 30 10 HDEE C=CCN(CCC(=O)N=c1cc(Cl)nc(S(C)(=O)=O)[nH]1)C(=O)OC(C)(C)C 2180900982 NBXYCZSPRWYMQR-UHFFFAOYSA-N 418.903 1.707 30 10 HDEE CO[C@@H](C(=O)N[C@@H](C(=O)O)C(C)(C)S)C1CCN(C(=O)OC(C)(C)C)CC1 2195307121 ODNHTUWWRQZDQX-OLZOCXBDSA-N 404.529 1.926 30 10 HDEE C=C(Br)CS(=O)(=O)N(CCNC(=O)OC(C)(C)C)CCN(C)C 2243062970 XVUPTWUWLHXDGV-UHFFFAOYSA-N 414.366 1.613 30 10 HDEE C=CC[C@@H](CO)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2267362135 NHJMHVUPCGIOCF-JTQLQIEISA-N 407.750 1.916 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC[C@@H](C)CN(C)C 2282315696 RHFSAOLKSZURFC-GFCCVEGCSA-N 402.391 1.832 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CCCCC[C@@H]3N)s2)OC1(C)C 2282328886 DVNBLYHFCBTFMK-STQMWFEESA-N 400.375 1.986 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](CO)CC3)s2)OC1(C)C 2282336301 BCQBYVGPEYSUDJ-CYBMUJFWSA-N 401.359 1.830 30 10 HDEE CCN(CC)C(=O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282337156 JLSPMRRIMOUAGB-UHFFFAOYSA-N 402.347 1.194 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCCCCC2CNC2)OC1(C)C 2282493841 VZDBTLNXWAHZJY-UHFFFAOYSA-N 400.375 1.715 30 10 HDEE C[C@H](CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1)OC(F)F 2282494566 ZHUKHRIQKQEOGR-SECBINFHSA-N 412.289 1.489 30 10 HDEE CO[C@@H]1C[C@H](NC(=O)c2scc(B3OC(C)(C)C(C)(C)O3)c2Cl)C[C@H]1O 2282661979 VNAFTAMOBUHSLY-YUSALJHKSA-N 401.721 1.969 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CCNC[C@@H]2C)sc1B1OC(C)(C)C(C)(C)O1 2282828005 HGJBTMDZGCYOPW-STQMWFEESA-N 400.375 1.632 30 10 HDEE C[C@@H]1CCS[C@H]1CNS(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282830341 SDDCCGNOHZMIEL-YPMHNXCESA-N 401.363 1.139 30 10 HDEE CON([C@H]1CCNC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282838751 UIZWWDHAJMAGPI-LBPRGKRZSA-N 402.347 1.270 30 10 HDEE CN(C)[C@H]1CCCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282852937 WPAVUVGOXZYEHL-AWEZNQCLSA-N 400.375 1.762 30 10 HDEE C[C@@H]1CN(C)CC[C@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856304 QIXOPRWWXMHCIH-TZMCWYRMSA-N 400.375 1.666 30 10 HDEE CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282861911 VZEGRCFFQDOHPO-ZDUSSCGKSA-N 400.375 1.762 30 10 HDEE C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282877172 NWFSVLMQPHBKQS-GXTWGEPZSA-N 400.375 1.760 30 10 HDEE CC(C)NC(=O)CN(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282878219 CNABICZQIQBVAW-UHFFFAOYSA-N 402.347 1.192 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCSC[C@@H]3C(=O)O)s2)OC1(C)C 2284392963 DPHCDKVJWCKKKY-SNVBAGLBSA-N 419.355 1.238 30 10 HDEE C=CCC[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284394583 AAFZSJQNZXWMOI-LBPRGKRZSA-N 401.315 1.745 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@H]3CC[C@H](C(=O)O)C3)s2)OC1(C)C 2284396604 DNTBZQDKXORLJZ-QWRGUYRKSA-N 401.315 1.579 30 10 HDEE CC[C@@H](C)[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284406114 UHQNJYWNBWAQCE-MFKMUULPSA-N 403.331 1.825 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](C(=O)O)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2284410484 UMOGOCAOUUYBCQ-GFCCVEGCSA-N 401.315 1.497 30 10 HDEE CC[C@H]1[C@H](O)CCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2288909887 JJGOMBFOEZZEKC-UONOGXRCSA-N 401.359 1.722 30 10 HDEE C=CC[C@H](O)[C@H]1CCN1S(=O)(=O)CC(C)(C)CN1C(=O)c2ccccc2C1=O 2314225024 IKCXZDQSWKVNGS-SJORKVTESA-N 406.504 1.650 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1N=Cc1cccn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c2nc3ccc(OCC)cc3s2)CC1 27559931 QJQKJRHDELFWME-UHFFFAOYSA-N 417.535 1.553 30 10 HDEE C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCN(c2nnnn2-c2ccccc2)CC1 43760691 DGNPPLIANBBADV-MRXNPFEDSA-N 403.446 1.650 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)N[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 47102698 DUHARHADVVKSTL-HXUWFJFHSA-N 405.506 1.844 30 10 HDEE COC(=O)[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccc1 116408369 UINWENJZJUBFAC-KRWDZBQOSA-N 401.444 1.523 30 10 HDEE N#Cc1nccnc1O[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 238820086 CLAJSGAOJPDDMU-MQMHXKEQSA-N 403.420 1.925 30 10 HDEE COc1cc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1O 254597593 KMKMNLHONVFTSO-UHFFFAOYSA-N 414.466 1.310 30 10 HDEE CCOC(=O)[C@@H]1CCCN(c2nc(O)c3c(n2)NC(=O)[C@H](C#N)[C@H]3c2ccncc2)C1 256033856 SFHUHBYFXKFXFN-RBSFLKMASA-N 422.445 1.580 30 10 HDEE C[C@@H](C(=O)N[C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)n1cnc(C#N)n1 409951868 WNYYEYAMYYPTNN-AAEUAGOBSA-N 406.368 1.647 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)N2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CCO1 410149596 WTCBSRQJJJJMAN-GJZGRUSLSA-N 405.398 1.548 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCCOc3ncccc3F)C2=O)cc1 437826949 DVNSCAIWJUBCRW-MRXNPFEDSA-N 411.393 1.493 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 437885868 DFBNSCGQBHRUQQ-GIPWTMENSA-N 415.519 1.746 30 10 HDEE O=C(Nc1ccccc1C#Cc1ccccc1)C(=O)N[C@H]1CCCN(CCO)C1=O 442291574 DFGRTYXTRADTFM-FQEVSTJZSA-N 405.454 1.124 30 10 HDEE Cc1nc(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)sc1SCC#N 475442789 IAHZMFGVEVRQSF-INIZCTEOSA-N 423.520 1.621 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CC[C@@H](OCCN4CCOCC4)C3)cc2C1=O 478868297 NXYWVNSCUUPKPF-QGZVFWFLSA-N 413.474 1.032 30 10 HDEE COc1ccsc1C=c1sc(=C(C#N)C(=O)C(C)C)n(C[C@H]2CCCO2)c1=O 480929034 CREFUCUIJFABEI-CYBMUJFWSA-N 418.540 1.887 30 10 HDEE COc1ccc(CN2CC[C@H](NS(=O)(=O)Cc3ccc(C#N)cc3F)C2=O)cc1 481033414 FYHKVGDNVCANLX-IBGZPJMESA-N 417.462 1.926 30 10 HDEE COc1cc(CNC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)cc(OC)c1O 487452281 BXXGXWPCYUHXNF-LBPRGKRZSA-N 419.459 1.264 30 10 HDEE N#C[C@H](NC(=O)CCn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)C1CC1 505983321 ZQMJFMNIMALRRD-HNNXBMFYSA-N 418.475 1.187 30 10 HDEE Cc1cc(C(=O)N[C@H]2CCC[C@@H]2CNS(C)(=O)=O)nn1-c1cccc(C#N)c1 506572568 ORGNGWQXICMPNL-WBVHZDCISA-N 401.492 1.500 30 10 HDEE C=CCn1c(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nnc1N(C)CC1CC1 508502550 BTEJGJAYDHNDPC-UHFFFAOYSA-N 417.535 1.998 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1 518630018 HBHURDRRZXUCEB-UHFFFAOYSA-N 404.430 1.074 30 10 HDEE CS(=O)(=O)Cc1cccc(CNC(=O)N2CCN(c3ncccc3C#N)CC2)c1 522193983 QHPFZFUEKMTORL-UHFFFAOYSA-N 413.503 1.530 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)ccc1F 524870453 WNTRXQMCTAPUFG-UHFFFAOYSA-N 418.406 1.752 30 10 HDEE C[C@H]1C[C@H](C)CC2(C1)NC(=O)N(CC(=O)N1CCN(c3ncccc3C#N)CC1)C2=O 535230928 UJBBCJZEUODCQL-HOTGVXAUSA-N 424.505 1.349 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CS(=O)(=O)c3ccc(Cl)cc3)CC2)n1 545491485 LIMZYXLDWRWRPN-UHFFFAOYSA-N 404.879 1.729 30 10 HDEE N#Cc1cc(S(=O)(=O)N2CCN(Cc3ccc(C(=O)O)cc3)CC2)ccc1F 547910412 JLWPEDRFTGDNBC-UHFFFAOYSA-N 403.435 1.902 30 10 HDEE CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)C1 564805224 WMTAXWYVGQOBKA-CYBMUJFWSA-N 419.429 1.969 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(Cl)cs2)c(=O)n1Cc1ccccc1 577582662 JYOMCGSRBMUBCS-UHFFFAOYSA-N 415.927 1.922 30 10 HDEE C[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1ncc(Br)cn1 582622569 MDIROCBBKCENRK-NSHDSACASA-N 423.292 1.903 30 10 HDEE CC[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCN1CC(F)F 589470188 ULZZMWOFSKOCNA-CQSZACIVSA-N 400.451 1.024 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2cccc([C@H](C)N3CCOCC3)c2)CC1 605416123 PFYDPHBHVAJEPN-SFHVURJKSA-N 415.538 1.532 30 10 HDEE C=CCOCCNC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 679586537 QRRPMIPQRAGIEC-NRFANRHFSA-N 407.470 1.819 30 10 HDEE COC1(C#N)CCN(S(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)CC1 703981746 JJHUJBBJDITLKX-UHFFFAOYSA-N 419.503 1.643 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CCc3ccccn3)c2=O)cn1 726181964 GUZBNASDRKQPDW-UHFFFAOYSA-N 419.510 1.153 30 10 HDEE COc1ccccc1C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C 732795416 GGSUHIIBLDHEHH-UHFFFAOYSA-N 408.483 1.619 30 10 HDEE Cc1cc(N2CC[C@@H](ON=C(N)c3ccc(CN4CCOCC4)cc3)C2=O)n(C)n1 742357015 MITNDOGJMXXSMJ-GOSISDBHSA-N 412.494 1.003 30 10 HDEE C[C@@H](CC(=O)N1CCC(CN2CCCC2)CC1)/N=C1/NS(=O)(=O)c2ccccc21 742669983 OZQNATHBEZBVPK-INIZCTEOSA-N 418.563 1.838 30 10 HDEE Cc1nn(C)c(C)c1C[C@H](C)NC(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 742707428 REWQDTUBTUYRTE-QWHCGFSZSA-N 417.535 1.601 30 10 HDEE CS(=O)(=O)c1ccc(F)c(NC(=O)COC(=O)C#Cc2ccc3c(c2)OCO3)c1 750038404 TUROEIHBBSUIPV-UHFFFAOYSA-N 419.386 1.491 30 10 HDEE CN(C)CCNC(=O)C[C@H]1SC(=Nc2ccccc2C#N)N([C@@H]2CCOC2)C1=O 751683441 UBCYOMYTZWSYAL-NVXWUHKLSA-N 415.519 1.347 30 10 HDEE CCCn1cc(C=c2sc(=C(C#N)C(=O)C(C)(C)C)n(CCSC)c2=O)cn1 751826964 JQQNNBYDAQRALJ-UHFFFAOYSA-N 418.588 1.998 30 10 HDEE C#CCOCCNC(=O)Nc1cc(I)cc(C(=O)OC)c1 752757654 FMHKKKOHZYHMTN-UHFFFAOYSA-N 402.188 1.849 30 10 HDEE CC(C)[C@](C)(C#N)NC(=O)COC(=O)CNC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 755189944 MKEZRCIGFPAASE-VLIAUNLRSA-N 424.498 1.100 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccccc1C#N 763461388 YFHAUESJZURACN-UHFFFAOYSA-N 402.479 1.837 30 10 HDEE Cc1cc([C@@H]2CN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)CCO2)ccc1F 765378406 BZKIQTNYSDPDJZ-KRWDZBQOSA-N 417.462 1.773 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@H]1C 783617562 FGURWNCDAWAXTI-CHWSQXEVSA-N 410.492 1.629 30 10 HDEE Cc1c(CN(C)C(=O)[C@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)cnn1C 791165092 UWMDFQSLEIAUNH-KRWDZBQOSA-N 417.535 1.840 30 10 HDEE CC[C@@H]1CN(C(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)C[C@@]2(CCOC2)O1 794302196 YIFWCPFURILQBO-BXTJHSDWSA-N 421.519 1.300 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)C1 795818004 BNUVKMKWAPURIX-LZQZEXGQSA-N 411.458 1.974 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cnn(Cc3ccccc3)c2Cl)CC1 796179530 JDIONUYXHMVSIO-UHFFFAOYSA-N 413.909 1.482 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CC(=O)NC)c2ccccc2)ccc1F 797362579 OMIFWBONTKHCRH-QGZVFWFLSA-N 419.478 1.897 30 10 HDEE Cc1cc(C#N)nc(N2CCC[C@H](C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)C2)n1 804370081 HZBBHXDTBKDDTN-INIZCTEOSA-N 414.510 1.952 30 10 HDEE N#Cc1ccc(S(=O)(=O)CCN2C(=O)O[C@]3(CCCc4ccccc43)C2=O)nc1 809208679 CIUYQJXABMCBHS-FQEVSTJZSA-N 411.439 1.938 30 10 HDEE Cn1cc(N2C[C@@H](C(=O)NCc3cn(C)nc3-c3ccc(C#N)cc3)CCC2=O)cn1 1127995253 UUVPWTRSRDKLRX-KRWDZBQOSA-N 417.473 1.752 30 10 HDEE C#CC[C@H](NC(=O)CS(=O)(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)OC 1141995654 WEQFBCBYHHGFNR-KRWDZBQOSA-N 407.492 1.100 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(C(F)(F)F)c2)C1 1154959282 QINNZKLOVUUURV-CQSZACIVSA-N 403.426 1.198 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)s1 1161536959 ZUEYZXQSHKXBGJ-DZGCQCFKSA-N 424.548 1.525 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@H](N(C)c3cccc(C#N)c3)C2)C1 1163652361 PWSNAORJOUXHCI-MJGOQNOKSA-N 404.536 1.657 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N[C@@H]3C[C@H](N4CCOCC4)C3(C)C)CC2)o1 1164314724 XKZWWLBTLHKUDW-MSOLQXFVSA-N 401.511 1.687 30 10 HDEE C=CCC1(O)CCN(CC(=O)NCC(=O)Nc2ccccc2Br)CC1 1176272560 JCTCIUKZFPTMMZ-UHFFFAOYSA-N 410.312 1.907 30 10 HDEE C=CCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc1ccccc1F)C(=O)OC 1177964085 ACDWTSZFGHTZRU-NJAFHUGGSA-N 406.454 1.344 30 10 HDEE Cc1nc(=NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)n(-c2ccc(C#N)cc2)[nH]1 1182768202 FTSCIHPCCWJPCC-KRWDZBQOSA-N 419.367 1.382 30 10 HDEE CCOC(=O)C[C@H](C(F)(F)F)S(=O)(=O)N1CCN(c2ccc(C#N)cn2)CC1 1185769817 HGCFJHSVXJIWKR-CYBMUJFWSA-N 420.413 1.289 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CC[C@@H]3CN(C(=O)C(F)(F)F)C[C@@H]3C2)c1 1194336928 RURUIOWVTHOOHE-CABCVRRESA-N 422.407 1.659 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)c2ccc(SCC)cc2)CC1 1227109502 SHNSGSWSYPNNOB-OAHLLOKOSA-N 410.565 1.654 30 10 HDEE CS(=O)(=O)CCCCNC(=O)N1CCN(c2c(C#N)cnc3ccccc23)CC1 1230271287 DRIAWRMRNBJUTP-UHFFFAOYSA-N 415.519 1.763 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 1252072828 URKVFOIZHQHPNH-HOCLYGCPSA-N 404.492 1.054 30 10 HDEE Cc1nsc(N2CCN(C(=O)NCC3(CC(N)=O)CCCCC3)CC2)c1C#N 1253570278 MTPARAPCIAUJFZ-UHFFFAOYSA-N 404.540 1.981 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccccc2C#N)CC1 1286347200 IFTYVFZIFYUYDF-GOSISDBHSA-N 403.490 1.841 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C)N1CCC[C@@H](C)C1)[C@@H]1CCS(=O)(=O)C1 1286392549 HNJJSRPORWMIAI-FGTMMUONSA-N 407.584 1.588 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCn1cc(C)cn1)[C@H]1CCS(=O)(=O)C1 1286395537 RSSVBAQULIFQOS-KRWDZBQOSA-N 402.524 1.377 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCC[C@@H](O)C2)CC1 1286473238 ZFCFAFXFPRPBBS-IPMKNSEASA-N 405.543 1.308 30 10 HDEE C=CCN(C)c1nnc(COc2cccc(C)c2)n1CC1(O)CCS(=O)(=O)CC1 1286729217 OJCSUKZMEORFPW-UHFFFAOYSA-N 420.535 1.727 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CC2([S@@](C)=O)CC2)C1 1286798952 PRNHVGIADFJJDM-WQIZZMQYSA-N 407.540 1.207 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCSC[C@H]1C 1286814629 UYNZAHKTFBLAQG-CQSZACIVSA-N 413.569 1.057 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCC(C)(F)F 1288116291 BVYZVRNBLBLJDF-UHFFFAOYSA-N 419.436 1.997 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc3c(c2)NC(=O)CS3)[C@H](C#N)C1 1294435697 HCJOMYCMZFFTIU-GFCCVEGCSA-N 403.464 1.711 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1296066650 DXTGQKITVREAPQ-QKLQHJQFSA-N 420.583 1.795 30 10 HDEE CNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)C2CC2)C1 1299071404 DVVARDWJSQENRT-JTSKRJEESA-N 408.506 1.940 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)CCCn1cnc2c(N)ncnc21 1299556495 GWXSRJNLUNEJTC-CQSZACIVSA-N 415.498 1.564 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CC(C)(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1300486936 CIHJWOJVSHSWSR-KRWDZBQOSA-N 418.567 1.988 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CCCSC)[C@H]1CCS(=O)(=O)C1 1300487106 GDESZQKKGXCGOV-INIZCTEOSA-N 405.549 1.720 30 10 HDEE C#CCN(c1nnc(COCC)n1CCc1ccncc1)[C@@H]1CCS(=O)(=O)C1 1300504022 IFSCOEYVFCVAHE-QGZVFWFLSA-N 403.508 1.079 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCCC2)nc1 1300531688 FHOJSNNLKSQPKI-SFHVURJKSA-N 403.490 1.346 30 10 HDEE C#CCN1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCOCCCO)CC1 1300696049 RTIWOGBTXJFMSX-UHFFFAOYSA-N 408.506 1.581 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccc3OC)n2CCN2CC=CCC2)CC1 1300703397 ILLJAZJEOYWLCC-UHFFFAOYSA-N 420.561 1.895 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[C@H]2CCOC2)CC1 1300725879 LECDPCUMAONZCF-FUHWJXTLSA-N 401.511 1.174 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCCCCO)CC1 1300727416 XCXDQGIFMPLUMR-GOSISDBHSA-N 403.527 1.301 30 10 HDEE CO[C@@H]1COCC[C@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1300855826 IFLZQESQUYLICZ-GBESFXJTSA-N 424.505 1.570 30 10 HDEE COC[C@@H](C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1300967320 CZBVFLKPIOAPAE-LSDHHAIUSA-N 423.477 1.203 30 10 HDEE C=C(C)COCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1300997727 YCENEYNHAOOCGT-LSDHHAIUSA-N 405.455 1.107 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(CC)no2)CC1 1301452628 VNFLLRPFGWXMTN-KBPBESRZSA-N 400.487 1.244 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCO[C@@](C)(c2cnn(C)c2)C1 1301491184 MNKWNAMTYMQBSJ-HXUWFJFHSA-N 410.482 1.061 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 1301503191 VIFAATBYOAGYMA-CABCVRRESA-N 406.531 1.882 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2nnc(C)s2)C1 1301568553 UYVGEGQTMBKAGS-UXLLHSPISA-N 420.539 1.992 30 10 HDEE CC(=O)NCCCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2C#N)CC1 1301933370 VDRJGENDSSZFFC-UHFFFAOYSA-N 424.553 1.986 30 10 HDEE CC(C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1302369533 QDBDAKJGFSYARB-KRWDZBQOSA-N 411.510 1.536 30 10 HDEE Cc1cccc(CN2CCO[C@H](CNC(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)c1 1302563805 ZKTFYWWTJHCMRG-KHOFPDMRSA-N 412.490 1.229 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)cc1 1302641748 SLSOPKCAESFBEA-LJQANCHMSA-N 410.499 1.879 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(C(N)=O)CCCC2)CCO1 1303001623 FRPGIOIRIPZJQL-CQSZACIVSA-N 415.885 1.768 30 10 HDEE CCOC(=O)CON=C(C(=O)NC[C@H](O)Cc1cccc(Cl)c1)c1cc[nH]n1 1303285564 BOUNIAOKPKEETP-CQSZACIVSA-N 408.842 1.067 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1CCC2(C1)OCCO2 1303355286 SWNCBYJILJPPQN-MRXNPFEDSA-N 402.499 1.699 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCCOCC(C)C)n1 1304762098 DJYZEMYNVGLEHV-GOSISDBHSA-N 401.515 1.931 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1CCC1(O)CCOCC1 1305721241 ALEIMYLXEGKQMV-HNNXBMFYSA-N 406.531 1.724 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1cc(C(=O)OC)ccc1OC)C(=O)OCC 1309761894 PSQREFBKRGWWSS-GFCCVEGCSA-N 405.856 1.834 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)CC1 1312684069 XCICOVPMJRGBGC-UHFFFAOYSA-N 421.498 1.034 30 10 HDEE C#CCN(C(=O)NC[C@](C)(COCc1ccccc1)OC)[C@H]1CCS(=O)(=O)C1 1312990901 NSSGYBIBAFMZQA-AZUAARDMSA-N 408.520 1.440 30 10 HDEE CN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 1313191194 RLXLHBWBVLMDSG-QZTJIDSGSA-N 402.495 1.895 30 10 HDEE CCn1cc(Cn2c(-c3cccc(C#N)c3)nnc2N2CCC[C@H](C(N)=O)C2)cn1 1313843204 CLVNSDCIHIJZDD-SFHVURJKSA-N 404.478 1.783 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCOC(F)(F)F 1314391413 UWXGODZKFDAQGD-AWEZNQCLSA-N 402.421 1.918 30 10 HDEE O=C(CNC(=O)c1ccccc1C(F)(F)F)NCCN/C(O)=C1\N=CC=CC1=O 1319050494 CELIZTXSPYLWHR-BMRADRMJSA-N 410.352 1.078 30 10 HDEE C=CCOc1ccccc1C(=O)NC[C@H](O)CN(C)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21 1338565036 PBQDGKSWPVCMLS-HEHWYMARSA-N 400.475 1.224 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NC(=O)CCc2cnn(C)n2)cc1 1354942236 HYZKOWMIOYEDFF-PTGBLXJZSA-N 418.523 1.979 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCS(=O)(=O)NC 1359007192 ZDALDYOFROQTCQ-UHFFFAOYSA-N 413.507 1.140 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1359132685 CECQGILZLQXDBN-IAGOWNOFSA-N 404.515 1.321 30 10 HDEE C=CCCOCCn1c(Cc2ccccc2F)nnc1N1CCN2C(=O)NC[C@H]2C1 1359229050 WTZZPCJFXHCWGW-KRWDZBQOSA-N 414.485 1.815 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2ccc(Cl)cn2)CC1 1359303440 OPUNYADEGBTCLH-UHFFFAOYSA-N 415.929 1.908 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC[C@@](C)(C(N)=O)C1 1359330499 UFVKYALLDJMJTB-LJQANCHMSA-N 421.498 1.387 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1 1359331691 GFYVDMHKALVOIU-BEFAXECRSA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N(C)[C@@H](C)c1ccco1 1359334918 UUQBIUSYNGXLDV-HNNXBMFYSA-N 421.523 1.792 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CCc2ccc(N3CCCS3(=O)=O)cc2)CC1 1443054733 OVZSETIKKDBHJX-FQEVSTJZSA-N 418.563 1.851 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 1446092409 BXZBUZGSWYTYGP-NHCUHLMSSA-N 418.559 1.981 30 10 HDEE N#C[C@H](CO)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21 1449520260 NEDWGZXQBYTGMK-PZPWOCDFSA-N 421.453 1.371 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 1455114421 DCNLGGCNGUHLTG-UHFFFAOYSA-N 420.535 1.205 30 10 HDEE O=C(NCC#C[C@H]1CCCCO1)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1 1457036074 ZZNRISCKRXIGDL-MSOLQXFVSA-N 406.504 1.446 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1cc(F)ccc1F 1457183358 AKMWLYREQLLDOO-GTNSWQLSSA-N 409.414 1.353 30 10 HDEE N#Cc1cn(C2CN(C(=O)c3cccc(NC(=O)c4cccs4)c3)C2)c(=O)nc1O 1457203052 SGXPXMMGRKNGJJ-UHFFFAOYSA-N 421.438 1.831 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC[C@H](CS(N)(=O)=O)C1 1457319366 GGZFXMHSCVRRAU-ZNMIVQPWSA-N 403.545 1.809 30 10 HDEE N#CCCCS(=O)(=O)c1ccc(C(=O)N2CCC(CO)(NCC3CC3)CC2)cc1 1457907124 MCKVAHFKIHUTCF-UHFFFAOYSA-N 419.547 1.731 30 10 HDEE C#CCN(CC(=O)c1c(O)nc(=O)n(CCOC)c1N)[C@H]1CCCc2ccccc21 1460840150 ZELDPKWLFJWWID-KRWDZBQOSA-N 410.474 1.373 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1 1461390912 SLAJHDPQJRTVEA-SFHVURJKSA-N 420.531 1.952 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 1471520868 BHJYDFVJOJHKCA-QGZVFWFLSA-N 417.531 1.517 30 10 HDEE CC1(C)OB(c2ccc3cc(NC(=O)[C@@H]4CC(=O)NC(=O)N4)ccc3c2)OC1(C)C 1471651137 DPEJXNIFMAFIKF-INIZCTEOSA-N 409.251 1.676 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(OC)c(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)c2)C1 1472246383 AKJHDKFCMPXKDQ-GJZGRUSLSA-N 406.504 1.182 30 10 HDEE N#CC1(C[C@@H](O)CN2CCN(CC(=O)N3CCc4ccccc43)CC2)CCOCC1 1473118870 YSUDYAFFJHOVHN-HXUWFJFHSA-N 412.534 1.265 30 10 HDEE C#CCOc1ccccc1CNC(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1477916144 UDWDUDIYIZHKFS-INIZCTEOSA-N 400.456 1.733 30 10 HDEE CCc1nnc(N2CCC[C@@H](OCC3CC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1499067120 CHOUTZVGWPMCRA-DVSFIDLUSA-N 414.510 1.762 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CCCOC2)C1 1503819011 WWVUJQIPJBHUJY-QFIPXVFZSA-N 424.505 1.872 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1504748609 GZZOYNPIJYFHQH-RXVVDRJESA-N 415.494 1.456 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCCCC2=O)CC1 1505323395 DUOFUTMHFJMHDR-KRWDZBQOSA-N 413.526 1.762 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCn1c(-c2ccc[nH]2)nnc1N1CCC(CO)CC1 1505350573 GJECASDDXKFUPE-ZPHPHTNESA-N 411.466 1.008 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1OC 1507516730 MMABITYPQSDLJQ-CHWSQXEVSA-N 409.487 1.542 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1507536934 FROSRAABCWXAPS-UONOGXRCSA-N 405.528 1.033 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc(C(N)=O)cc1 1507659438 WIJMNCAIZJCCKI-OALUTQOASA-N 407.474 1.222 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1c(CC)nn(C)c1CC 1507667848 SOLJLVDWGFAWSD-GOSISDBHSA-N 407.522 1.599 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cn2ccsc2n1 1507689512 KYVWYJHTBNMSLR-ZDUSSCGKSA-N 404.521 1.397 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@H](C)N1CCC(C)CC1 1507703702 YEIJTDHMXLWSFY-SFHVURJKSA-N 404.559 1.623 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@H](CC)OC)CC1 1507724273 MGUABARFQVWKFV-LJQANCHMSA-N 407.522 1.697 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(C)=O)C[C@H]1C 1507836003 SWDAYYWPHFZSQR-MRXNPFEDSA-N 420.558 1.846 30 10 HDEE C=CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H]1CCC(=O)N1)C1CC1 1507987699 AGLBXZSWLOEQMV-OAHLLOKOSA-N 415.519 1.782 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1508013234 AYITULAQUJANLR-ZPHPHTNESA-N 408.466 1.383 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 1508087163 NWMAIINFWGFPIY-CQSZACIVSA-N 404.515 1.903 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CC[C@H](F)C2)C1 1508116591 RXLBKBSZABUANU-XUWVNRHRSA-N 415.535 1.808 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(C)[C@@H]1CCSC1 1508139542 CMKWMVKKMKAKCS-HUUCEWRRSA-N 400.570 1.715 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@H]2CCO[C@@H](C)C2)CCOC1 1509818139 RMFPISKBRWPLMK-LXGFNABISA-N 419.526 1.863 30 10 HDEE CC(C)OC[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CCO1 1509838518 AIBDJKBXJGZREQ-LJQANCHMSA-N 422.493 1.739 30 10 HDEE CN1C[C@@](C)(Cn2c(COc3ccc(C#N)cc3)nnc2Nc2ccn(C)n2)C1=O 1517410720 PYZZSDLDDPIRAK-FQEVSTJZSA-N 406.450 1.684 30 10 HDEE COC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1517718503 IHOCJAPFNVJOJB-XJKSGUPXSA-N 400.439 1.919 30 10 HDEE N#CC1(CC(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)CCOCC1 1532461514 DUKPDYHRFQRWCP-GDNBJRDFSA-N 400.460 1.945 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)c3ccc(Br)s3)CC2)c1C#N 1537402844 FJXZDQIEAFKSHI-UHFFFAOYSA-N 422.308 1.956 30 10 HDEE C[C@@H](NC(=O)c1ccccc1S(=O)(=O)CCS(C)(=O)=O)c1cccc(C#N)c1 1537673123 CVIFHAGVNLYOED-CQSZACIVSA-N 420.512 1.868 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnn(C)c2)n1CCn1c(O)nc2ccccc21 1539258561 XYQSSPDPIQOGQE-UHFFFAOYSA-N 400.446 1.507 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(-c3n[nH]c(C)n3)cc2)CC1 1539468761 IJKACJRLVURQDI-UHFFFAOYSA-N 418.505 1.694 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCN2CCCCC2=O)CC1 1539828893 QQQBXGPVFMBJOB-MRXNPFEDSA-N 424.571 1.447 30 10 HDEE CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 1540543866 DTPRUBHUDPRTGU-KRWDZBQOSA-N 406.458 1.886 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CC(=O)N(CCOC)C2)C1 1540891492 VCHQTZDFDCFROD-FGTMMUONSA-N 419.526 1.058 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)C2CN(C3CCOCC3)C2)n1 1546216464 UNYHLXQKDLOGDA-UHFFFAOYSA-N 420.564 1.849 30 10 HDEE CCOCc1nnc(N2CCC[C@@H](OCC)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1548153797 ISGXGVPRJFWPCA-AMGRQBIBSA-N 418.498 1.346 30 10 HDEE CO[C@H](C)Cn1c(COc2ccc(C#N)cc2)nnc1N1CCO[C@]2(CCOC2)C1 1554608561 SVNQVOHLMYKCDG-IIBYNOLFSA-N 413.478 1.759 30 10 HDEE C=CCOC[C@@H](NC(=O)[C@@H]1N(C(=O)OCc2ccccc2)CC1(C)C)C(=O)OC 1556375701 PQUVXTJCVUMZKF-SJORKVTESA-N 404.463 1.894 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N(CC)CCC(=O)NC 1558651422 FTPXUSQRZNDUJV-HNNXBMFYSA-N 408.524 1.269 30 10 HDEE C#CC1(O)CN(C(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCO4)cc2)C1 1558691318 IFOBLARAPMNBTM-UHFFFAOYSA-N 414.439 1.079 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c1 1560034824 FMFCUOMQWVHZNG-RBUKOAKNSA-N 405.458 1.166 30 10 HDEE CN(CC#CCN1C(=O)c2ccccc2C1=O)CC(=O)Nc1ccc2c(c1)OCCO2 1560046240 IFUVCGJZCNAXRE-UHFFFAOYSA-N 419.437 1.628 30 10 HDEE C#CCOc1ccc(CNC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)cc1 1562780568 GWFKMNIMBDXDSA-CQSZACIVSA-N 407.414 1.320 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 1564926347 RNFLESQHXPXHJL-SJLPKXTDSA-N 424.954 1.771 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1CNC(=O)c1cnn(C)c1 1569044259 PYKMAWXLIWMWQJ-IAGOWNOFSA-N 417.510 1.448 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)NCCS(=O)(=O)C(F)(F)F)CC2=O)cc1Cl 1584266103 TUPSNJOMOLLDMD-SNVBAGLBSA-N 423.800 1.615 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(Br)cc2)n1C[C@]1(O)CCN(C)C1 1587936989 FEWHMDPBECPEBP-SFHVURJKSA-N 404.312 1.844 30 10 HDEE C#CCN(c1nnc(C(=O)NC(CC)CC)n1CC1CC1)[C@H]1CCS(=O)(=O)C1 1588029767 LSZCMJIOWOHHSE-INIZCTEOSA-N 407.540 1.233 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1588049814 LNNPPJOBPNSOIN-SJLPKXTDSA-N 415.519 1.393 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1C[C@]1(O)CCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 1588065027 RRBISMBUGLBSRH-OXFYSEKESA-N 406.552 1.408 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CC(=O)NCC(F)(F)F 1588149301 MXPJXRCMSXWPOQ-UHFFFAOYSA-N 407.371 1.759 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)COC 1588200080 BVBIJPVYEYOCEX-QGZVFWFLSA-N 404.478 1.666 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc[nH]2)n1CC1(OCCOC)CCOCC1 1588214046 GIWJWPWMHMHAKE-UHFFFAOYSA-N 411.506 1.948 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1Cc1c(CC)nn(C)c1OC 1588646785 NEWWCCSYPYEDMX-INIZCTEOSA-N 416.526 1.611 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cc(C)on1 1589069921 OVLRNEWOJYNWQN-CQSZACIVSA-N 409.537 1.479 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCn1cccn1 1589215514 ATWVVBNZIKLPCW-QFBILLFUSA-N 402.524 1.459 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(N2CCN(CCOC)C(=O)C2)nnc1C(C)(C)C 1589581238 QRKNDEZFYSANGO-SJLPKXTDSA-N 405.543 1.852 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1593740708 CWWNSVWDROAQPG-SJORKVTESA-N 404.515 1.668 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](CN2CCOCC2)C1 1595544175 FUIJNULJOPLELL-SFHVURJKSA-N 416.570 1.787 30 10 HDEE C=C(C)C[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)C(=O)OCC 1598350212 IOEAJBIAADEZFE-HOCLYGCPSA-N 402.447 1.825 30 10 HDEE N#C[C@@]12CN(C(=O)c3csc(-c4cccc([N+](=O)[O-])c4)n3)C[C@H]1CS(=O)(=O)C2 1617486296 CTPSYKKMORZCTN-SJCJKPOMSA-N 418.456 1.729 30 10 HDEE COCCN(C)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1619878692 SEMZCHJRBFSRMP-QFIPXVFZSA-N 423.521 1.111 30 10 HDEE Cn1cc([C@H](NC(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C2(CO)CCC2)cn1 1624824357 VVUPNIYPULWWLA-JXFKEZNVSA-N 407.474 1.665 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCC4(CCC4)S(=O)(=O)CC3)cc2C1=O 1626602742 LYKDVXOAFPGIOG-UHFFFAOYSA-N 402.472 1.652 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 1628339788 HFAOHRORUWKWJZ-IRXDYDNUSA-N 409.464 1.409 30 10 HDEE CS(C)(=O)=NS(=O)(=O)c1cccc(C(=O)NCC2CCN(CC#N)CC2)c1 1629083349 ZQCJOFVMHKVUDO-UHFFFAOYSA-N 412.537 1.068 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H](C)[C@@H](O)C(F)(F)F 1629499048 ICHPOVMGBSDRBG-SCDSUCTJSA-N 421.441 1.712 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)NCCN3CCC4(C3)OCCO4)n[nH]2)c1C 1629962671 LTMMLTFSJWIELS-UHFFFAOYSA-N 400.483 1.255 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)C2=NO[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)CC1 1633884879 QMTIKXMPPVCIOG-NRFANRHFSA-N 418.494 1.130 30 10 HDEE C#C[C@H](NC(=O)c1ccc(I)cc1-n1cnnn1)[C@H]1CCCO1 1634532575 ZVYSEGDEGVERER-GXTWGEPZSA-N 423.214 1.178 30 10 HDEE C#CCC1(O)CCN(C(=O)[C@H](CCSC)NS(=O)(=O)c2ccccc2)CC1 1636660414 ATLQOUVIRQRKAV-KRWDZBQOSA-N 410.561 1.463 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2nn(C)cc2Br)c1 1637018451 VOAGHFQIOJYPGH-UHFFFAOYSA-N 411.281 1.024 30 10 HDEE CC(C)(C)OC(=O)N1CCC(c2ocnc2C(=O)N[C@H]2CCCN(O)C2=O)CC1 1637667140 ABZFODNDLIIZAL-ZDUSSCGKSA-N 408.455 1.899 30 10 HDEE COC(=O)C(C)(C)c1csc(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)n1 1641593882 GJHWRJSIMQFQEC-UHFFFAOYSA-N 422.488 1.382 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cn(CCNC(=O)OC(C)(C)C)nn1)C(=O)OCC 1643589433 KYEDQJXIPXHTPB-GFCCVEGCSA-N 415.878 1.607 30 10 HDEE C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCC[C@@H]2OCCNC(=O)[C@H]21 1644268186 UCPDBKUILCXITI-ALKREAHSSA-N 402.520 1.999 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](CO)(NCC(=O)NCc2cccc(C#N)c2)C1 1644518686 MQRGRKPYOPWXQM-OAQYLSRUSA-N 402.495 1.526 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CCC(N4CC[C@@H](O)C4)CC3)CC2)c(F)c1 1645897069 IGBDCKITLGGUHC-LJQANCHMSA-N 400.498 1.971 30 10 HDEE O=C(CN1CCC(CO)(NCC2CC2)CC1)NCC#Cc1cccc(C(F)(F)F)c1 1646080269 HGTNKPQBQWJYRG-UHFFFAOYSA-N 423.479 2.000 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N[C@@H]2CON(C(=O)OC(C)(C)C)C2)c1 1648226140 JDVAAZQRGXBYBK-HNNXBMFYSA-N 408.476 1.764 30 10 HDEE C#CCN1CCC(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)CC1 1652172546 DITPQKOVJOEQBX-UHFFFAOYSA-N 403.548 1.997 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 1652736338 HEVCRNXLKHCOCY-OAQYLSRUSA-N 419.526 1.834 30 10 HDEE CS(=O)(=O)NCc1ccc(NC(=O)N2CCc3c(sc(N)c3C#N)C2)cc1 1659415733 GNATUNWMNKIXKT-UHFFFAOYSA-N 405.505 1.841 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2CCCCCNC(=O)CC2)CC1 1660620662 JUACYTOGCBJFCP-QGZVFWFLSA-N 403.552 1.449 30 10 HDEE C#CC1(O)CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)CC1 1664544238 MSLQTWOMCSHAHD-UHFFFAOYSA-N 402.266 1.385 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)C1 1677378655 NXCSIAIKFDWNNA-HSZRJFAPSA-N 411.594 1.981 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N3CCC([C@@H](F)C(N)=O)CC3)C2=O)cc1 1681300831 KHBSUOLFZJKCIA-IAGOWNOFSA-N 401.442 1.299 30 10 HDEE O=C(NCCS(=O)(=O)CC(F)(F)F)N1CCN(CC(F)(F)C(F)F)CC1 1683842621 VUQAVSKDDDPBJQ-UHFFFAOYSA-N 417.347 1.191 30 10 HDEE Cc1ccc(CNC(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1C#N 1685107318 SJNVZPAQAWTBEM-UHFFFAOYSA-N 402.476 1.735 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1CCOC 1685845510 DTTOJHSVMOYFLG-OAHLLOKOSA-N 419.544 1.255 30 10 HDEE CN(C)Cc1csc(CNC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)n1 1686054717 CELMCTLQDGDAMU-TZMCWYRMSA-N 408.528 1.763 30 10 HDEE C#CCCCn1c(-c2cnn(C)c2)nnc1N1CCCN(Cc2noc(C)n2)CC1 1689924386 FMWARMMGNLHSLS-UHFFFAOYSA-N 409.498 1.496 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1Cc1ccc(C)cc1)[C@H]1CCS(=O)(=O)C1 1689988399 OEKPFMQVAUZHCA-IBGZPJMESA-N 424.530 1.662 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCOCCN(C)C 1690009907 ODNNWHFOEWTGRM-UHFFFAOYSA-N 409.490 1.367 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@](C)(O)C(C)C)CC1 1690145909 AQLJNLGWAHKELK-PGRDOPGGSA-N 417.554 1.545 30 10 HDEE C=CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1690463072 UPHSBPBMUPYDAT-SJORKVTESA-N 416.526 1.413 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1690648079 DCUUIVACVVUGMJ-OAHLLOKOSA-N 420.514 1.316 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3)n2CCN2CCN(C(C)=O)CC2)C1 1690691475 DZKSVZDNESJCEG-NRFANRHFSA-N 424.549 1.891 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[C@@]2(CCCOC2)C1 1690724074 HOQLJFCBUOKUAE-PXNSSMCTSA-N 424.567 1.780 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCCS(C)(=O)=O 1692654922 AQZUIUURQBNXCL-AWEZNQCLSA-N 419.507 1.889 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C)C(=O)[C@H]1C 1695430566 HCMWMJUVTFHVJP-OAHLLOKOSA-N 409.494 1.400 30 10 HDEE CCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1696431940 ZTXWZOBSXDLPIU-UHFFFAOYSA-N 407.482 1.308 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CCNC(=O)c2cc[nH]n2)cc1 1697361123 DWLIXCFLPQHCMO-FQEVSTJZSA-N 424.440 1.549 30 10 HDEE COc1ncccc1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1697636540 FOGXQLIIEBHLKU-KRWDZBQOSA-N 408.466 1.320 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCn1ccnc1C 1705477274 LRBPYTCXLRDICX-GJZGRUSLSA-N 407.544 1.332 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCCO2)n1Cc1cccc(S(=O)(=O)NC)c1 1705493729 NCFXESPUJZJAGV-MAUKXSAKSA-N 417.535 1.934 30 10 HDEE C#CCN(c1nnc([C@H](C)CC)n1CC[S@@](=O)CC)[C@H]1CCS(=O)(=O)C1 1705560019 HJOXVZCIVAFATJ-XESHVACXSA-N 400.570 1.187 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@@]2(O)CCC[C@@H]2C)CC1 1705634942 NDDLJYNEHDZCBH-NYVOZVTQSA-N 417.554 1.237 30 10 HDEE C#CCN1CCN(c2nnc([C@H](CC)c3ccccc3)n2Cc2nnn(C)n2)CC1 1705635248 UZCLITYBCZRARE-GOSISDBHSA-N 405.510 1.147 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(CSC)c2)CC1 1705638535 NQUOXYJUHWWUSR-IBGZPJMESA-N 424.574 1.896 30 10 HDEE C=CCN(CC=C)c1nnc(-c2noc3c2COCC3)n1C[C@]1(C)COCCO1 1705873624 PWOYVEFXOWEONI-HXUWFJFHSA-N 401.467 1.990 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(C(N)=O)CCCC1 1705876361 WCLUMGCLQXRHNV-OAHLLOKOSA-N 407.540 1.404 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1705903779 UHNNGYKSEQWTMI-INIZCTEOSA-N 414.510 1.891 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@@H](N2CCOCC2)C(F)(F)F)C1 1705924161 TXIHVPNMFAGUMC-HUUCEWRRSA-N 403.449 1.885 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)CN2CCCC2)C1 1705929803 YGAVNBIZIZESTI-MOPGFXCFSA-N 416.570 1.914 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(OC)cc2)nnc1N(C)[C@H]1CCOC1 1705933859 UDCKFWZJSUNUDU-INIZCTEOSA-N 406.508 1.780 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1705945768 RLWAVVBHEHSKOP-KSZLIROESA-N 407.584 1.858 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@H]1NC(=O)CC1(C)C 1706584098 LWZDEYADVKIDGO-QGZVFWFLSA-N 423.521 1.839 30 10 HDEE CC1(C)CCCN(c2nnc([C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706946069 NUDNDTRZSYWOCD-DXQAYGFFSA-N 414.510 1.935 30 10 HDEE CC1(C)CCCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1706946070 NUDNDTRZSYWOCD-KIJUOZEOSA-N 414.510 1.935 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)c1 1710326524 ANBMZJGIGFUZAH-ROUUACIJSA-N 410.478 1.309 30 10 HDEE CO[C@@H](CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@](F)(C#N)C1)C(F)(F)F 1711529164 DRKBIDFKPYPLQE-LRDDRELGSA-N 418.395 1.923 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCOC2)n1Cc1ccnc(-n2cccn2)c1 1712454100 HYMBVYBJMQXPJR-SFHVURJKSA-N 422.493 1.777 30 10 HDEE C[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)C[C@@H]1O 1712835947 JWOFHRSEHUOOED-QAPCUYQASA-N 408.466 1.228 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc[nH]2)n1C[C@@]1(N2CCOCC2)CCSC1 1722288533 BGYKAIXRKLYQCN-UZLBHIALSA-N 400.552 1.939 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 1722338465 ICIVUFKVCDYXNA-XGHQBKJUSA-N 401.511 1.587 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(CC)CC)n1C[C@H](C)N1CCN(CC)CC1 1722341425 FMUDMCOIEVTJPB-KRWDZBQOSA-N 403.575 1.292 30 10 HDEE C#CCN(CC#C)c1nnc([C@@]2(OCC)CCOC2)n1CC(=O)NC1CCCCC1 1722373455 INOYMVZOMRLGCJ-JOCHJYFZSA-N 413.522 1.452 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCNC(=O)Cc1cccc(F)c1 1722379268 NIXOLPIMMQLKRZ-UHFFFAOYSA-N 404.449 1.844 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)[C@@H](C)CC 1722397818 VGOBFWNINYXCGW-SQGPQFPESA-N 406.552 1.440 30 10 HDEE C=C(C)COCCn1c(Cc2cn3ccccc3n2)nnc1N1CC(=O)N(C)C[C@H]1C 1722533834 CDXKIMBONOCZGA-QGZVFWFLSA-N 423.521 1.776 30 10 HDEE C=CCN(C)c1nnc([C@@H]2COc3ccccc3O2)n1CCOCCS(C)(=O)=O 1722640365 LZLBFTMXITYDJT-KRWDZBQOSA-N 422.507 1.474 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(OC)cc2)nnc1N1CCOC[C@@H]1C 1722705140 AKONBHHWIBIGIS-HNNXBMFYSA-N 401.467 1.393 30 10 HDEE CC(=O)NC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(C#N)o2)CCO1 1722846034 POCPGOPTPNGABA-SFHVURJKSA-N 407.434 1.194 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1723019041 HGMLRVVSIKQHLW-OFJJUDJNSA-N 414.535 1.676 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1723042431 PWXQHXFUNXLRMX-OAQYLSRUSA-N 410.478 1.216 30 10 HDEE C[C@@](O)(Cn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1)c1cccs1 1723959728 AUCXDZYMEJVQAF-IFXJQAMLSA-N 416.507 1.212 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(C#N)CC1 1730402073 CBZQOKAVLDTBRQ-IAGOWNOFSA-N 402.499 1.306 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)N2CCCCC2)CC1 1740592480 YLWHOUQLGCQDEQ-IBGZPJMESA-N 414.554 1.330 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(OCC2CC2)nc1 1740609044 GZJLVOCKJGVDJA-QGZVFWFLSA-N 415.519 1.482 30 10 HDEE C#CCN(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](COC)OC 1740615205 VTNGDNPZHXQUEK-OWCLPIDISA-N 407.515 1.780 30 10 HDEE C#CCN(CC)c1nnc(-c2ccc(Cl)cc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1740664996 LQEHRHGUOADWAC-SFHVURJKSA-N 408.911 1.608 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCc2ccc(OC)c(F)c2)CC1 1740700536 VNXRWXXILLTALG-UHFFFAOYSA-N 401.486 1.960 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c([C@H]2CCCO2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1740764150 AQUGYEAVSQPUBG-NXOAAHMSSA-N 412.556 1.980 30 10 HDEE C=CCCCCn1c(-c2cnccn2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1740861700 VLIDTMANIILDGW-UHFFFAOYSA-N 419.555 1.952 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(N2CCOCC2)C1 1740876098 OFDRMGQEGOPOIY-XLIONFOSSA-N 423.583 1.447 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(C)=O)CC1 1740953419 FPUVXYFKZFTENT-UHFFFAOYSA-N 402.886 1.569 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1CCC[C@H](n2cncn2)C1 1741005786 RICVIVHLDHGITC-INIZCTEOSA-N 416.555 1.753 30 10 HDEE CC(C)[C@H]1CN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1741400669 SCKNWHXBARPDIA-OTZFSBHDSA-N 416.526 1.963 30 10 HDEE Cc1nccnc1CCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@@H](C(N)=O)C1 1742641334 BZSCNLGPVKILIE-GOSISDBHSA-N 416.489 1.860 30 10 HDEE CN(C[C@@H]1CCOC1)c1nnc(-c2ccccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1747862884 LCFLXEFBAAWUDT-LZICOFPGSA-N 423.477 1.339 30 10 HDEE COC1(C)CN(c2nnc([C@H]3CCCCO3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1748484987 OCJOQAQSIHXIFD-ZMMDAZFZSA-N 416.482 1.271 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1nccs1)[C@@H]1CCS(=O)(=O)C1 1748811401 GJWLXIHWSMTGBF-CQSZACIVSA-N 416.532 1.599 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1Cc1cccc(S(=O)(=O)NC)c1 1748839392 SFKSNIYNQFOINV-UHFFFAOYSA-N 408.487 1.302 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H]2NC(=O)CC2(C)C)CC1 1748984289 PQESCGHHUNBYOT-IBGZPJMESA-N 422.533 1.624 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccncc2)n1CCNS(=O)(=O)CC 1749071608 KSCXDFGODYKHQF-LJQANCHMSA-N 402.524 1.195 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)NCC)CC1 1749222419 HODPOYVZCSJVJL-UHFFFAOYSA-N 400.487 1.179 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC[C@@H]2C)C1 1749714434 JYFFEGYIUQVXGW-AZUAARDMSA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c(C)nnc1N1CCN(C(=O)Cc2ccccc2)CC1 1749723526 AGDQDUJAJUBPOH-UHFFFAOYSA-N 417.535 1.079 30 10 HDEE N#Cc1ccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCC(OCC(N)=O)CC2)o1 1750382137 CBIMMFIRHCRIMW-KRWDZBQOSA-N 414.466 1.503 30 10 HDEE N#CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CC(F)(F)CO2)CC1 1750385588 RWEGEFKCZUGWCQ-ZIAGYGMSSA-N 415.466 1.344 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)N(C)C)CCOC1 1751017357 FGCXQYXGCZKWTO-RTBURBONSA-N 408.478 1.239 30 10 HDEE CC1(C)SCC[C@@H]1Cn1c(CN2CCCC2=O)nnc1N1CCO[C@@H](C#N)C1 1751301119 GTOHXVHYDRREQI-CABCVRRESA-N 404.540 1.661 30 10 HDEE Cc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1751467502 BMHXNVGXZACDOV-STGLLQLASA-N 412.450 1.598 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1760144032 AUWWPRPYSSHYHU-UHFFFAOYSA-N 415.542 1.558 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1C[C@]1(O)CCOC1 1760250456 HNNYGSNIAANLIO-JOCHJYFZSA-N 409.490 1.519 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2C[C@@](C)(O)c2ccco2)CC1 1760270682 WBJBQAVMTOZEEP-JOCHJYFZSA-N 413.522 1.943 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N(C)CCN1CCOCC1 1760277259 FMYYELAHVQVZPB-UHFFFAOYSA-N 410.547 1.952 30 10 HDEE C#CCSCCn1c(CC2CC2)nnc1N1CCN(c2nccc(OC)n2)CC1 1760283300 JAJBWFYQZVPJNL-UHFFFAOYSA-N 413.551 1.722 30 10 HDEE C=C(C)Cn1c(-c2noc3c2COCC3)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1760345232 OTPRYJMTYBIESU-CYBMUJFWSA-N 407.496 1.595 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(CC(=O)NCC)CC1 1760370892 HTVUSOCUOYPPKQ-UHFFFAOYSA-N 418.929 1.964 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@H]2CCCC[C@H]2C1 1760515518 WPRVKFCVNOOKRG-SJORKVTESA-N 400.527 1.833 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccccc1C 1760521195 MDWOVDFBNLGOPD-INIZCTEOSA-N 412.494 1.355 30 10 HDEE C=CCNC(=O)Cn1c(N(C)Cc2cnccn2)nnc1[C@]1(OC(C)C)CCOC1 1760528138 SXYZEGUOEISILG-FQEVSTJZSA-N 415.498 1.047 30 10 HDEE C=CCSCCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](COC)C1 1760564085 OIRDRTFRHGJLOG-AWEZNQCLSA-N 421.523 1.777 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2c(ccnc2O)C1 1760564735 GDPBNVBBWMIHES-OAHLLOKOSA-N 400.508 1.812 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC[C@](C)(C#N)C3)n2CCOCCN(C)C)n1 1762447547 RTKOKXOYGBVRNJ-OAQYLSRUSA-N 414.558 1.848 30 10 HDEE C[C@@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC(=O)N(C)C)C[C@H]1N1CCOCC1 1763088193 MJUKARGUEXAFAR-VQIMIIECSA-N 423.521 1.062 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H]2CCS(=O)(=O)C2)CC1 1771539698 IEXGAKBNPOVLST-SJORKVTESA-N 407.540 1.737 30 10 HDEE C=CCN1C[C@@H](C(=O)NCc2nn(CCN3CCCC3)c(=O)c3ccccc23)CC1=O 1850258051 UQRQNFDMHBVBMX-KRWDZBQOSA-N 423.517 1.143 30 10 HDEE N#CCOc1ccccc1C(=O)N1CCN(CCN2C(=O)c3ccccc3C2=O)CC1 1850785025 LNLNHECHSMOMHT-UHFFFAOYSA-N 418.453 1.643 30 10 HDEE C=CCN(C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2OC)C1)[C@@H]1CCN(C)C1=O 1850863878 YHBBOQHZHQBBQH-RHSMWYFYSA-N 401.463 1.302 30 10 HDEE Cn1nc2c(cc1=O)C[C@H](C(=O)N(Cc1ccc(C#N)cc1)c1cnccn1)CC2 1852735573 RTQORSKILYXNKO-QGZVFWFLSA-N 400.442 1.780 30 10 HDEE N#Cc1ccc(N2C[C@@H](OC(=O)C3CN(C(=O)c4ccc(F)c(F)c4)C3)CO2)nc1 1852837123 MMHLZUAUZNQIQD-OAHLLOKOSA-N 414.368 1.667 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2ncoc2C2CCCC2)C1=O 1854161097 RHGCGIJRFLEHCQ-HZPDHXFCSA-N 400.479 1.792 30 10 HDEE CN(c1ncccn1)[C@@H]1CCN([C@H]2CCCN(C(=O)c3ccnc(C#N)c3)C2=O)C1 1854339296 RRDFPTZHWZFNHE-MSOLQXFVSA-N 405.462 1.085 30 10 HDEE CC(=O)N1CCC[C@@H](CN2CCN(C(=O)c3cc(CC#N)ccc3Cl)C(=O)C2)C1 1854452535 LWHUKGKGNRDPRV-KRWDZBQOSA-N 416.909 1.949 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2cc(Cl)ccc2Cl)CCN1S(=O)(=O)CC#N 1854710744 UWIGDUSOIGOQKC-LLVKDONJSA-N 418.302 1.839 30 10 HDEE COc1cccc(OCC(=O)N2CCN([C@@H]3CCN([C@@H](C)CCC#N)C3)CC2=O)c1 1854941954 VJTCMPXRVRZHCR-ZWKOTPCHSA-N 414.506 1.511 30 10 HDEE C=CCN(CC=C)C[C@@H]1CC(=O)N(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1 1856264129 PTLJSXWVVLIZSO-KRWDZBQOSA-N 407.474 1.354 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)C(=O)C12CCCC2 1856288090 OKXCCVIJJFEWCA-MRXNPFEDSA-N 409.552 1.360 30 10 HDEE C=CCN1C[C@H](C(=O)N2C[C@H](CN3CCc4cc(F)ccc4C3)CCC2=O)CC1=O 1856539686 DORNJQJDRIABGF-QFBILLFUSA-N 413.493 1.984 30 10 HDEE Cc1ocnc1C(=O)N1CC[C@@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1857014442 HUIIHLPZVMTFTJ-QGZVFWFLSA-N 409.446 1.782 30 10 HDEE CC(C)N1CCCC[C@@H]1C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O 1857055588 GLXMCQUCBHYHLZ-QZTJIDSGSA-N 424.567 1.190 30 10 HDEE N#Cc1cc(C(=O)N2CC[C@@H](N3CC[C@H](Oc4cnccc4Cl)C3)C2=O)ccn1 1857135289 QXQMBKSCKLFNKC-DOTOQJQBSA-N 411.849 1.896 30 10 HDEE C=CCN(Cc1ccco1)C(=O)CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1 1858032785 HAWZJWKQXVSHLT-UHFFFAOYSA-N 405.476 1.475 30 10 HDEE COc1ccc(C(=O)Nc2c(C#N)nnn2-c2ccc3c(c2)C(=O)N(C)C3=O)cc1 1870137451 NZEDUVBIYQINHF-UHFFFAOYSA-N 402.370 1.626 30 10 HDEE C=CCn1cc(OCC(=O)NC[C@H]2CCCO2)c(=O)cc1CSc1ncccn1 1870301085 FVFOIGPJBYUWCT-MRXNPFEDSA-N 416.503 1.791 30 10 HDEE C#CCOc1cn(CCCn2ccnc2)c(CN(CCOC)CCOC)cc1=O 1870561237 FDAXLSPAXDDCPH-UHFFFAOYSA-N 402.495 1.242 30 10 HDEE O=c1c(Br)c(N/N=C/c2ccco2)cnn1[C@H]1CCS(=O)(=O)C1 1873526909 BVZCFLBFNBNGJX-JBZZFUPASA-N 401.242 1.404 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)O 1885479900 VRGOGMUSMVAEGS-CABCVRRESA-N 411.524 1.511 30 10 HDEE COc1ccccc1OCC#CCNC(=O)c1cc(S(N)(=O)=O)ccc1OC 1890039469 QHKMFKLFGHLJBR-UHFFFAOYSA-N 404.444 1.163 30 10 HDEE CN(Cc1ccccc1)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@@H]1C#N 1964950380 DTTUHWHWHYVUNA-RBUKOAKNSA-N 415.538 1.678 30 10 HDEE CC1(C)OB(c2ccc(CN3CCC[C@@H](NS(C)(=O)=O)C3)s2)OC1(C)C 2235426976 IWFCWQLSDIAWGU-CYBMUJFWSA-N 400.375 1.561 30 10 HDEE CC1(C)OB(c2csnc2CN2CCCC[C@H]2CS(C)(=O)=O)OC1(C)C 2235513357 JTHPUZNLWOHHKJ-ZDUSSCGKSA-N 400.375 1.841 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N1C[C@H]2C[C@@H](C1)[C@@H](NC(=O)OC(C)(C)C)[C@@H]2CO 2239321555 VBNWWVURQICJSE-LXTVHRRPSA-N 401.529 1.319 30 10 HDEE C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1 2243403182 SWEYIJBEECKBBZ-GFCCVEGCSA-N 408.308 1.694 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)([C@@H](F)C(=O)NCC=CB2OC(C)(C)C(C)(C)O2)C1 2243687570 YINJYBVSLWPSJG-ZDUSSCGKSA-N 414.283 1.610 30 10 HDEE CC(C)(C)OC(=O)NCc1n[nH]cc1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243701548 DVMZDKBINYGQDM-UHFFFAOYSA-N 404.276 1.799 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2[C@H](NC(=O)c3c[nH]nc3B3OC(C)(C)C(C)(C)O3)[C@H]2C1 2247805507 OCPHSXCMOQARJX-WDNDVIMCSA-N 418.303 1.304 30 10 HDEE Cc1c(C(=O)N[C@@H]2C[C@H]2NC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)nn1C 2247825355 CGMCNSMXZFPUFQ-CHWSQXEVSA-N 420.319 1.423 30 10 HDEE CC(C)(C)OC(=O)NC1[C@H]2CN(C(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)C[C@H]12 2247827230 GERMEQCRWNAPID-RYUDHWBXSA-N 418.303 1.304 30 10 HDEE CCn1cc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)NCC(=O)NCc1ccccc1 2247933140 VVAXHYYPAVCDGN-UHFFFAOYSA-N 411.311 1.853 30 10 HDEE CCN(C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)[C@H]1CCS(=O)(=O)C1 2282011369 IGOOVUXUEZOSHL-NSHDSACASA-N 400.331 1.092 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@]2(CF)CCNC2)sc1B1OC(C)(C)C(C)(C)O1 2282305103 TYDJGIIPOSEGPP-MRXNPFEDSA-N 404.338 1.336 30 10 HDEE Cn1cc(Cl)c(CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)n1 2282488669 DETVKGFRGWYQAD-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE CCN(C1CNC1)S(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1 2282492629 PQBIKHSGGURBQH-UHFFFAOYSA-N 400.375 1.647 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)N3CC(CO)C3)c(Cl)c2)OC1(C)C 2282497667 SZZQDGDGPSPQOS-UHFFFAOYSA-N 422.139 1.905 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@H](CO)C3)c(Cl)c2)OC1(C)C 2282499956 GYOYXJRMPRFXAN-LBPRGKRZSA-N 401.721 1.642 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCC(F)(F)CO)ccc2Cl)OC1(C)C 2282505615 GQNFFYUPYYZGPX-UHFFFAOYSA-N 411.663 1.545 30 10 HDEE C[C@@H]1COCC[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282507231 DNSRZFNHZLOGPG-VXGBXAGGSA-N 402.347 1.287 30 10 HDEE COC(=O)CNS(=O)(=O)c1c(Cl)cc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282509374 JSLJMCJPKYGRME-UHFFFAOYSA-N 424.111 1.744 30 10 HDEE CCN(C(=O)c1nscc1B1OC(C)(C)C(C)(C)O1)[C@H]1CCS(=O)(=O)C1 2282517426 RWQKBGMOESSOCY-NSHDSACASA-N 400.331 1.092 30 10 HDEE CC1(C)[C@H](O)C[C@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835869 ZFKGTHXSXBBMJO-VXGBXAGGSA-N 402.347 1.021 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3CO)s2)OC1(C)C 2282850710 SCQDECLQAGEDCY-QWHCGFSZSA-N 401.359 1.877 30 10 HDEE CCN(CCCCO)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282878086 AYGCLWZTZXTSMH-UHFFFAOYSA-N 403.375 1.972 30 10 HDEE C[C@H]1C[C@@H](CO)CN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282880480 JOGIYQCWEJBYBP-QWHCGFSZSA-N 401.359 1.580 30 10 HDEE O=C(C=Cc1ccc[nH]1)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 2325690349 RYPPALXXGROOLN-UHFFFAOYSA-N 423.878 1.910 30 10 HDEE CN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)OC1 2365210835 LQTMUEZVANBECU-HRCADAONSA-N 402.557 1.721 30 10 HDEE CCC[C@](C#CC(C)(C)S(C)(=O)=O)(CNC(=O)OC(C)(C)C)OCC(=O)O 2365254408 NTXGJAHQGCMOOP-SFHVURJKSA-N 405.513 1.978 30 10 HDEE CCN(C(=O)OC(C)(C)C)[C@@H]1COC[C@H]1[C@H](C#CC1(S(C)(=O)=O)CC1)NC 2367784621 BVNAJRPCNGTBFU-HRCADAONSA-N 400.541 1.427 30 10 HDEE COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C 6030556 DUAQCTANPNATFA-KOEFXMDHSA-N 406.475 1.822 30 10 HDEE in-vitro C=CCOC(=O)C1=C(C)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]1c1ccc(C(=O)OCC)cc1 32655106 DCCPPENOYAAEHV-OAHLLOKOSA-N 411.414 1.801 30 10 HDEE COCCCNC(=O)[C@H](C)Oc1c(N)cc(C#N)cc1I 43415363 LZEODEWOQPYGFG-VIFPVBQESA-N 403.220 1.665 30 10 HDEE C=CCN1CCN(C(=O)[C@@H]2CCCN(Cc3ccncc3)CCC(=O)NCC2)CC1 257183457 RNNAEPADSLCXEQ-OAQYLSRUSA-N 413.566 1.520 30 10 HDEE CCc1ccccc1O[C@H](C)C(=O)N1CCN(C(=O)[C@@H](C)n2cnc(C#N)n2)CC1 409715911 JHHTXZSVTLWKAB-HZPDHXFCSA-N 410.478 1.411 30 10 HDEE C[C@@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)n1cnc(C#N)n1 410015373 ZAYRIEMHKYSLTF-VIFPVBQESA-N 402.212 1.840 30 10 HDEE N#Cc1cc(F)ccc1CS(=O)(=O)N1CCN(C(=O)c2ccc(O)cc2)CC1 436956741 UCAQPUCHJGMQQZ-UHFFFAOYSA-N 403.435 1.691 30 10 HDEE COc1cc(CNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)ccc1C#N 460613392 QOYMRBCLEDGDPE-UHFFFAOYSA-N 413.499 1.727 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)N[C@@H]3CCCN(c4ccccc4)C3=O)CC2)c1C#N 472069670 LKJUAQVRCNTQBF-LJQANCHMSA-N 421.505 1.627 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(c4nc5ccccn5c4C#N)CC3)C2=O)n(C)n1 472487493 PJMOVHUJSUZOLU-KRWDZBQOSA-N 418.505 1.566 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3ccc4c(c3)CCCO4)CC2)c1C#N 472874765 GXMBAYVJDOMNKT-UHFFFAOYSA-N 408.462 1.213 30 10 HDEE CC(C)C[C@@H](CO)N(C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 479132019 OKTVGTDRJWYAMS-SFHVURJKSA-N 407.536 1.824 30 10 HDEE CS(=O)(=O)CCCS(=O)(=O)N1CCN([C@H](C#N)c2cccc(Cl)c2)CC1 480600901 KKEFBFJGVWQFMT-MRXNPFEDSA-N 419.956 1.287 30 10 HDEE COC(=O)[C@@H](C)CN(C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C1CC1 504912870 BLIFYBMGXUHBJI-GUYCJALGSA-N 412.446 1.563 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCSC(C)(C)C1 508940033 WDZXFENAYZBUSF-CYBMUJFWSA-N 401.558 1.129 30 10 HDEE C=CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(CCOC)[C@@H](C)C1 509000352 JWAPQDJXCGKBJP-INIZCTEOSA-N 409.498 1.264 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC[C@]2(CNC(=O)C2)C1 509002688 SGIYKJYEVXPFHV-QFIPXVFZSA-N 422.537 1.745 30 10 HDEE C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)N1[C@H](C)CC[C@H]1C 511117161 WGZZRWQQNCXIBA-ZACQAIPSSA-N 404.536 1.652 30 10 HDEE Cc1nc([C@H]2CCCCN2C(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)n[nH]1 513265915 DQPBZPYWTACXBS-BLLLJJGKSA-N 402.480 1.405 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(Cc3cnc4ccc(C#N)cn34)CC2)cs1 513745906 JUWWTNFQUCMLLU-UHFFFAOYSA-N 402.505 1.477 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(Cc3ccccc3F)n2)CC1 522743343 OTBXOEGYLJJHLS-UHFFFAOYSA-N 402.495 1.933 30 10 HDEE COC(=O)c1sc2[nH]c(CN3CCN(c4ncccc4C#N)CC3)nc(=O)c2c1C 532901534 AATBKJJRFKNYDU-UHFFFAOYSA-N 424.486 1.669 30 10 HDEE CNCCCc1[nH]nc(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)c1C#N 536299885 OTLNZILHPHDKNP-BEFAXECRSA-N 410.478 1.600 30 10 HDEE CS(=O)(=O)N1CCN(CC(=O)NCc2ccc(-c3ccccc3C#N)cc2)CC1 540200052 AJUNDYCWSRHTQR-UHFFFAOYSA-N 412.515 1.419 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)NCCCn2cc(CO)nn2)n1 579530321 UJWFZZVLONTKKI-UHFFFAOYSA-N 400.830 1.693 30 10 HDEE COCCN(CC(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1)Cc1ccc(C#N)cc1 604500667 CMFKVBUUKWMBLH-HXUWFJFHSA-N 421.563 1.678 30 10 HDEE C=CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](N2CCN(C(C)=O)CC2)[C@H](C)C1 669815752 JLMXJHLKUDILRX-OXQOHEQNSA-N 409.538 1.823 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)nc2)N(Cc2ccnc(C)n2)C1=O 726887365 FTYNVRMSZSMNOP-AWEZNQCLSA-N 400.464 1.456 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(C)c(F)c1 730141212 ZZWCPVXXROCIIF-INIZCTEOSA-N 410.515 1.780 30 10 HDEE CN1C(=O)C[C@H](C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)[C@H]1c1cccnc1 733927991 KNJSLUPXTJBMKD-GHTZIAJQSA-N 404.474 1.653 30 10 HDEE COC(=O)[C@H](OC(=O)C1=NN(c2ccc(F)cc2)[C@H](C(N)=O)C1)c1ccc(C#N)cc1 740176698 ABNMZUZUNBHJFA-ZWKOTPCHSA-N 424.388 1.575 30 10 HDEE N#Cc1cc(COC(=O)[C@H](CO)NC(=O)c2cccc(Br)c2)ccn1 747038021 RAWVZPDLJKYGNJ-HNNXBMFYSA-N 404.220 1.550 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)CON=CC(=O)Nc2cccc([N+](=O)[O-])c2)C1 749782215 SBWDOLQWJBNEGF-QGZVFWFLSA-N 421.454 1.009 30 10 HDEE COc1ccc(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C)C)cc1C#N 753659480 YHIJNPBSFSMUBH-FQEVSTJZSA-N 423.517 1.655 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@H]3C2)c1 756033248 XEIOHYQGAHXNNA-AXNLMSORSA-N 421.523 1.048 30 10 HDEE C=CCn1c(S)nnc1Cc1csc(NC(=O)c2nc(C)c(C)[nH]c2=O)n1 763601775 PDBMJJHSGPCUBN-UHFFFAOYSA-N 403.493 1.753 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CCN4C(=O)OCC[C@H]4C3)ccc2c1=O 765274954 ZMTIJQADGHGQMT-ZDUSSCGKSA-N 400.460 1.538 30 10 HDEE COc1ccc([C@H]2[C@@H](C(=O)NS(=O)(=O)CC3(C#N)CCC3)CC(=O)N2C)cc1 771082133 XVAQRRZXPHNPSI-RDJZCZTQSA-N 405.476 1.354 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccc3ccccc3c2)N(CCc2nnnn2C)C1=O 771543969 UNEHEXFUPQGCLI-MRXNPFEDSA-N 423.502 1.674 30 10 HDEE C#CCN(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CCS(=O)(=O)C1 774018978 WWIGYWPYZVVKNG-HNNXBMFYSA-N 411.911 1.831 30 10 HDEE C#CCN(C(=O)Nc1ccc(C(=O)N(C)C)cc1OCC)[C@@H]1CCS(=O)(=O)C1 774046872 ODRRIHSLRRIENL-OAHLLOKOSA-N 407.492 1.441 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)[C@]2(NC(=O)OCc3ccccc3)CCOC2)CC1 780724878 YGSPQELPLICCMW-UGKGYDQZSA-N 414.506 1.764 30 10 HDEE COc1ccc(N=C2S[C@@H](CC(=O)NCCCN(C)C)C(=O)N2[C@@H]2C[C@H]2C)cn1 790021810 MDZITTJZONZITM-BMFZPTHFSA-N 419.551 1.888 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2cc([C@H]3CCCOC3)nn2C)n1 790551528 MAUVYVNLESQZBB-INIZCTEOSA-N 400.483 1.824 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)C1 790629144 JOUOYAYPPPXFHS-KRWDZBQOSA-N 413.427 1.440 30 10 HDEE N#Cc1cccnc1N1CCN(C(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1 791028877 MCZDPNPSWXVCEN-IRXDYDNUSA-N 409.471 1.306 30 10 HDEE C=CCNC(=O)NC(=O)[C@H](C)OC(=O)[C@H]1CC(=O)N(C(C)(C)C)[C@@H]1c1cnn(C)c1 796424583 NGPSZKFVVVEMKW-DUVNUKRYSA-N 419.482 1.052 30 10 HDEE COc1cnccc1N1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 796575804 QFFVPRGWBUPPSU-INIZCTEOSA-N 418.457 1.737 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2Br)C1=O 798466248 RUOTZFDGEMXFAF-GFCCVEGCSA-N 418.269 1.765 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3COc4ccccc4O3)n2C[C@H]2CCCO2)CC1 802681477 CXPIXAMIHOBYJJ-YLJYHZDGSA-N 409.490 1.725 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C)ccc2c1=O 803566202 RHOMADLJEPAUEV-CJNGLKHVSA-N 405.520 1.759 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2ncc(C(=O)OCC)n2C)ccc1F 808760905 DTAJKFLXARILBI-UHFFFAOYSA-N 410.427 1.453 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)OCc1nnc2n(C)c(=O)c3ccccc3n12 914680254 WEHLVZFJJAYARG-CYBMUJFWSA-N 403.398 1.964 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)C1 1131664127 NUXMPGLBLJTBSA-QGZVFWFLSA-N 408.520 1.456 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)C[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1 1136633001 WKJKAILBDOLUMW-SFHVURJKSA-N 422.570 1.600 30 10 HDEE CC(C)N(CCOCCO)C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1140368013 FLKHFKHREHBVLW-KRWDZBQOSA-N 402.451 1.009 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 1151158338 IIVDRICXAOHSGF-AWEZNQCLSA-N 409.493 1.748 30 10 HDEE COc1ncc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)cc1C#N 1154576114 HXAQBHPERXMCRV-CVEARBPZSA-N 400.435 1.882 30 10 HDEE Cc1ccc(C(=O)N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)cc1B1OC(C)(C)C(C)(C)O1 1160519988 QRYBWMOIYQHNDH-HUUCEWRRSA-N 407.341 1.942 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1161036624 MGGBHKROCZSNEO-HNNXBMFYSA-N 407.492 1.971 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CCC[C@H](C2CCOCC2)C1 1178651240 QALBWJGWFLHGQC-YJBOKZPZSA-N 405.520 1.890 30 10 HDEE CNCCCc1[nH]nc(NC(=O)C(F)(F)n2cc(-c3ccccc3)nn2)c1C#N 1182252845 KQLQQJBTPIFQEB-UHFFFAOYSA-N 400.393 1.880 30 10 HDEE COC[C@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)C1CCOCC1 1248374474 ARXIOCKHFQEYOA-MOPGFXCFSA-N 400.479 1.400 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(c1)C(=O)NCC2 1286464668 DKOTZGWCGSPBCS-FQEVSTJZSA-N 423.517 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](OC)C(C)C)CC1 1286472848 LYBDGLPXECSITF-DENIHFKCSA-N 419.570 1.745 30 10 HDEE C=CCCCCn1c(COCC)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1286691661 NBFPFKWAXNNRTH-SFHVURJKSA-N 404.559 1.914 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286709885 HRYFKTFONSCRQZ-IHRRRGAJSA-N 417.432 1.978 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1286831810 DEJUCBKUQNUXKE-HOTGVXAUSA-N 406.556 1.647 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC1=CCCOC1 1288116508 GQFDMRDXOKVQQZ-UHFFFAOYSA-N 423.477 1.298 30 10 HDEE Cc1ccc(-c2nnc(N3CCSCC3)n2CCN/C(O)=C2/N=CC=CC2=O)o1 1289613110 KNYPGFPJGPJGIC-VLGSPTGOSA-N 414.491 1.926 30 10 HDEE C=CCn1cc(C(=O)NC[C@@H](CO)Cc2cc(Br)ccc2OC)nn1 1297953187 VLSJQXCAZYNGQM-LBPRGKRZSA-N 409.284 1.816 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NC[C@H]3CN(C4CC4)C(=O)O3)ccc2c1=O 1299942932 SAFAWIVZERAOCR-ZDUSSCGKSA-N 400.460 1.584 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1ccccc1OCC 1300274895 ZUTCGOONEJVPDF-JKSUJKDBSA-N 419.551 1.988 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(NC(=O)COC)CC1 1300395136 XBXHXFWYHSSBNY-UHFFFAOYSA-N 406.490 1.962 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccc(F)cc2)CC1 1300410312 YXELERCFFJUSFX-SFHVURJKSA-N 424.480 1.744 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@H]1Cc2ccccc2O1)[C@H]1CCS(=O)(=O)C1 1300498151 HSNIMFJHESNIGD-IRXDYDNUSA-N 400.504 1.471 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2COCCO2)CC1 1300706370 KWMXYHODHOKPOA-FQEVSTJZSA-N 411.506 1.070 30 10 HDEE C=CCn1c(N2CC[C@H](C(=O)NCC(F)(F)F)C2)nnc1[C@@]1(OCC)CCOC1 1301474050 RYTRPOSBKMBJCD-SUMWQHHRSA-N 417.432 1.621 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CCOc3ccccc3)n2C[C@H]2CCC(=O)N2)C1 1301565387 BTHZEZZMYXCLRG-MJGOQNOKSA-N 411.506 1.960 30 10 HDEE C=CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC)C(=O)C1 1301622221 CCUYRZOXPOPDQV-WMZOPIPTSA-N 423.583 1.980 30 10 HDEE N#Cc1cnccc1SCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 1307367969 AYRXUIKKJVOZRJ-UHFFFAOYSA-N 420.491 1.718 30 10 HDEE C#CCn1ccc(CN(CCOC)S(=O)(=O)c2c(C(F)(F)F)cnn2C)n1 1309464862 PQJCTLPNTYOJQZ-UHFFFAOYSA-N 405.402 1.106 30 10 HDEE C=CCn1cc(CNC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OCC)nn1 1310358431 WRLFDMMTECWWJA-UHFFFAOYSA-N 408.484 1.435 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccc(CS(=O)(=O)CC(=O)OC)cc2)CC1 1312263787 MGKSXUNWVSTGJK-RZDIXWSQSA-N 406.504 1.766 30 10 HDEE CNC(=O)CCn1c(-c2cccn2C)nnc1N1CCN(c2ncccc2C#N)CC1 1315044132 BRIOXUPPBIAXKY-UHFFFAOYSA-N 419.493 1.013 30 10 HDEE C#CCN(C(=O)[C@H](CCC(C)C)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1352905931 WPHDBVYGWGOJAD-CVEARBPZSA-N 400.541 1.965 30 10 HDEE N#Cc1ccc(CC(=O)NCc2cccc(NC(=O)CCN3CCOCC3)c2)cn1 1356194983 ZJXKZDLKEDIUSD-UHFFFAOYSA-N 407.474 1.473 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC(=O)NC(C)C 1358890244 MROYPRZFODJBFE-INIZCTEOSA-N 410.526 1.435 30 10 HDEE C#CCCCCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 1358910148 FRWLOKJGCVQBTR-IBGZPJMESA-N 422.537 1.281 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCN(Cc2cc(C)no2)CC1 1358933275 NMHVYRFGUMEHBW-UHFFFAOYSA-N 411.510 1.433 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@@]1(O)CCN(C)C1 1359015711 BTYHDUDPOLMIIO-JOCHJYFZSA-N 423.496 1.524 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCOCCOC)CC1 1359040947 KDGCRGZAQXBDDQ-UHFFFAOYSA-N 405.543 1.595 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](C)OC)CC1 1359048590 WFOHCISHNFDZJH-NJAFHUGGSA-N 419.526 1.003 30 10 HDEE C=C(C)COCCn1c(CC)nnc1N1CCN(C[C@H]2CN(C(C)C)CCO2)CC1 1359134292 RDZQLSBVSUQEIB-FQEVSTJZSA-N 420.602 1.664 30 10 HDEE C=CCC(C)(C)Cn1c(N2CCN(C(=O)Cn3cnnn3)CC2)nnc1C(C)(C)C 1359192940 SCHDDDNAHLEVIY-UHFFFAOYSA-N 415.546 1.513 30 10 HDEE C=CCN(CCOC)c1nnc(Cn2ccc3ccccc32)n1Cc1nnn(C)n1 1359282849 USFZSYVSNOGSCK-UHFFFAOYSA-N 407.482 1.492 30 10 HDEE C=CCn1c(-c2cccc(OC)c2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 1359284552 WXANMEMTLHQVHR-UHFFFAOYSA-N 405.524 2.000 30 10 HDEE C=CCNC(=O)Cn1c(COc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C(N)=O)C1 1359304044 JONYZLKMXKROSZ-MRXNPFEDSA-N 412.494 1.088 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(SC)CC2)C1 1359322313 SWUGBFIKDRIOHX-LSDHHAIUSA-N 412.581 1.857 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccc(F)cc3)n2CCS(C)(=O)=O)C1 1359323605 SPLCZFJKXIKJCI-QGZVFWFLSA-N 408.499 1.834 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCCC2)CC1 1359331429 YTODISUBEUJGMI-UHFFFAOYSA-N 418.567 1.939 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc(-c3cnccn3)n2Cc2ccc(C#N)o2)C1 1359435510 YOTAFLPAEFNCHW-HNNXBMFYSA-N 406.450 1.601 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CCCN1CCOCC1 1359472897 SMOGVAOBTIFNQD-OAHLLOKOSA-N 415.498 1.324 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@]12CCCN(C(=O)OC(C)(C)C)C2)[C@H]1CCS(=O)(=O)C1 1435068226 FJLMKUIFEAXFLT-TWOQFEAHSA-N 410.536 1.673 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2nnn(-c3ccc(F)c(F)c3)c2C)n1 1436119246 FBRKMRYDTHZSRW-UHFFFAOYSA-N 414.416 1.972 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)[C@@H](C#N)C1 1445369411 JREBJZGBNGKYFL-LSDHHAIUSA-N 402.426 1.908 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](C(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C#N)C2 1447485324 MXYVJNZQCKTFAO-QMHWVQJVSA-N 406.483 1.729 30 10 HDEE COC(=O)[C@H](NC(=O)C[C@H](C)/N=C1/NS(=O)(=O)c2ccccc21)c1ccsc1 1448174345 YMRYMFFLIWMAGZ-MEDUHNTESA-N 421.500 1.596 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2ccccc2CNC(=O)OC(C)(C)C)CC1 1449056792 BSINXXVFOLRPBD-UHFFFAOYSA-N 414.506 1.219 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ncc[nH]2)c2cncc(C)c2)cc1 1453390494 NUDYKEUAGNQFOP-UHFFFAOYSA-N 409.471 1.872 30 10 HDEE C[C@H](CC(=O)NCc1c(F)ccc2nc[nH]c12)/N=C1/NS(=O)(=O)c2ccccc21 1454451315 TZCZOJFXNNTXMM-LLVKDONJSA-N 415.450 1.836 30 10 HDEE C=CCN(C(=O)CN1Cc2c(cnn2-c2ccccc2)C1=O)[C@H]1CCS(=O)(=O)C1 1456083642 IMYNMYOUAMVVJP-INIZCTEOSA-N 414.487 1.030 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(Cl)cc(NC(C)=O)cc2Cl)C1=O 1461180237 UYPXTOVPXGWYPH-UHFFFAOYSA-N 413.217 1.867 30 10 HDEE C#CCN(C(=O)NCCC(=O)N1CCN(c2ccccc2)CC1)C1CCN(C)CC1 1468362777 FJGLZIMDRKQLGV-UHFFFAOYSA-N 411.550 1.464 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)N1CC[C@@H](O)[C@H](CO)C1 1469080367 ADKVZIQPPREOLH-GXTWGEPZSA-N 413.268 1.300 30 10 HDEE C#CCN(CC(=O)NC1CCN(C(=O)c2ccncc2)CC1)C(=O)OC(C)(C)C 1469359350 RTVZRINFMVBMFP-UHFFFAOYSA-N 400.479 1.673 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NCc1cccc(-n2ccc(C(=O)OCC)n2)c1 1469508381 SNBFDLCNULWXHO-UHFFFAOYSA-N 420.491 1.449 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCc2cc(=O)c3ccccc3[nH]2)cc1 1471364669 HMYVVEBLIKTJDO-UHFFFAOYSA-N 410.455 1.650 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)CCc1ccc2c(c1)OCO2)c1cc[nH]n1 1471902914 FSBXOIYVCFMCST-UHFFFAOYSA-N 402.407 1.123 30 10 HDEE CC1(C)C[S@](=O)CCN1CC(=O)N1CCN([C@H](C#N)c2ccc(F)cc2)CC1 1473387849 CTWMJNNWFWJDLV-KWMCUTETSA-N 406.527 1.377 30 10 HDEE CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)Nc1ccc(Oc2ccc(C#N)cn2)cc1 1476056422 BQRGGMNSDQKSCS-CVEARBPZSA-N 402.432 1.679 30 10 HDEE C=CCOc1ccccc1CNC(=O)N[C@@H]1CCCN(CCN2CCOCC2)C1 1477913930 YJPNCQHJCKQVRO-HXUWFJFHSA-N 402.539 1.847 30 10 HDEE CC(C)NC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1478568237 NYSZMQPDPXRLQK-OALUTQOASA-N 411.506 1.605 30 10 HDEE N#Cc1cn(C2CN(C(=O)N[C@H](Cc3cccnc3)C3CCCC3)C2)c(=O)nc1O 1479165957 BIFPNSOLWMCVGV-GOSISDBHSA-N 408.462 1.583 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2/N=CC=CC2=O)CCO1 1505322780 UAVCBNDHYTZANO-OSCRUYLVSA-N 419.445 1.200 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H](C(C)C)N1CCOCC1 1507540950 GXZKUFQQAGWIBQ-UYAOXDASSA-N 413.570 1.954 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccccn2)CC1 1507576441 XAMOXEQHRJVXMU-INIZCTEOSA-N 417.539 1.023 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCOC1)[C@@H]1CCS(=O)(=O)C1 1507634560 ZBZCYONUBWVUNI-BBWFWOEESA-N 408.524 1.183 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C)o2)n1C[C@H]1CCCN1S(C)(=O)=O 1507705951 YWMMGNDDXHZXBG-MRXNPFEDSA-N 421.523 1.357 30 10 HDEE C#CCSCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1507750137 JWKLXJCVFXKVDQ-MRXNPFEDSA-N 413.551 1.987 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCOC2)nnc1N1CCC[C@H](NC(C)=O)C1 1507797483 LRPGSVDFNJNFAN-YRXWBPOGSA-N 403.527 1.868 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccco2)CC1 1507845387 ZWCHUPMOYCRFEH-QGZVFWFLSA-N 415.494 1.930 30 10 HDEE C=C1CCN(c2nnc(Cc3cccnc3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1507888442 FWNMXCRZWKPKEU-GOSISDBHSA-N 416.551 1.702 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@@H]1c1csc(C)n1 1508072962 UMSZYKYIJUTAJM-OAHLLOKOSA-N 417.539 1.825 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCNC(=O)[C@@H]1CC 1508074137 OLVIGIWFXCNDRN-HNNXBMFYSA-N 402.886 1.616 30 10 HDEE C[C@]1(Cn2c(CCCc3ccccc3)nnc2N2CCO[C@@H](C#N)C2)COCCO1 1510351084 XKRRNSXEZDVFFJ-UGKGYDQZSA-N 411.506 1.988 30 10 HDEE CCn1cc(Cn2c(COc3ccc(OC)cc3)nnc2N2CCO[C@@H](C#N)C2)cn1 1515778636 GPRDZMUCFHZAAK-IBGZPJMESA-N 423.477 1.859 30 10 HDEE CN(C)C(=O)Cn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1 1516990358 GTAPQQSPTIDGRJ-UHFFFAOYSA-N 416.489 1.627 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(-c2cnccn2)n1C[C@@H]1CC[C@H](CO)O1 1517105316 FNIYPKUWLCTMBW-ZWKOTPCHSA-N 405.462 1.783 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(C#N)CC2)n1C[C@@H]1NC(=O)CC1(C)C 1519433479 YWYGWWPZBBIALA-BQFCYCMXSA-N 416.526 1.657 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H](CCSC)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 1532448808 LVRJMCSSCGHUSX-KKUMJFAQSA-N 409.508 1.199 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccc2C)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1538993453 LFCDRNSIBCNDIR-IAGOWNOFSA-N 401.536 1.993 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(C(=O)NCC)c1 1539179277 OHXDFNIEQQQLQM-KRWDZBQOSA-N 415.519 1.048 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CCCc1cnn(C)c1)[C@H]1CCS(=O)(=O)C1 1539224606 INNPOHZXAVBNRD-SFHVURJKSA-N 416.551 1.224 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(OC)c2)n1CC1(S(C)(=O)=O)CCC1 1539245794 KMPSUZQXMVITPP-UHFFFAOYSA-N 412.515 1.994 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1 1539323347 FMQIWSWMVDWNHM-SFHVURJKSA-N 412.515 1.700 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(Cl)nc2)n1C[C@H](C)N1CCOCC1 1539402716 HRSQSRYROUMFKV-INIZCTEOSA-N 418.929 1.800 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCOC2)n1CCS(=O)(=O)NC 1540126845 OWATXWYCLYHNFD-QGZVFWFLSA-N 405.524 1.524 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 1540421951 AWXQMELFCUGKJK-HOTGVXAUSA-N 408.499 1.423 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(CC2CCCCC2)CC1 1540871433 LQXUKXREDWNKOO-IBGZPJMESA-N 416.570 1.787 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(Cc2ccncc2)n1CCN1CCN(C)C(C)(C)C1 1541117334 DMBCUOXRIDYSGV-GOSISDBHSA-N 410.570 1.886 30 10 HDEE C[C@H](CN1CCCC1)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H](C(N)=O)C1 1541871204 ABZMRVYOKJXBQR-VQIMIIECSA-N 407.522 1.860 30 10 HDEE CN(CCc1ccc(Br)cc1)C(=O)CCn1cc(C#N)c(O)nc1=O 1543069996 CMYUXGHHKMUVCA-UHFFFAOYSA-N 405.252 1.674 30 10 HDEE CN1C[C@](C)(Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCO[C@H](C#N)C2)C1=O 1554353491 DVBAJTYWLXUPGO-OXQOHEQNSA-N 414.897 1.729 30 10 HDEE CO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2CCCNS(C)(=O)=O)C1 1555151447 VPUAQFJFEJIIDP-KRWDZBQOSA-N 418.523 1.371 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)C2(OC)CCOCC2)s1 1557073789 CLPKOMMNVPUUKW-ZDUSSCGKSA-N 402.538 1.455 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H](c1nccn1C)C(F)(F)F 1558866083 FWURSZIDACLSSV-GXFFZTMASA-N 415.397 1.378 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H]3CC[C@@]32CNC(=O)OC(C)(C)C)CC1 1560179715 QGUHFPOQGMBIIC-PGRDOPGGSA-N 404.555 1.533 30 10 HDEE C#C[C@@H](NC(=O)NC1CCN(CC(=O)NC)CC1)c1ccc(Br)cc1 1563446517 KIGCFZHZYVAULF-MRXNPFEDSA-N 407.312 1.633 30 10 HDEE C#CCN(C(=O)NCc1nc(N)n[nH]1)[C@@H]1CCOc2ccc(Br)cc21 1565225297 UBNWLYLZMDDUEI-GFCCVEGCSA-N 405.256 1.818 30 10 HDEE C#CC1(O)CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 1585305105 LLCOCIZCCGHPGV-JOCHJYFZSA-N 405.454 1.594 30 10 HDEE Cc1ccc(C(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc1S(=O)(=O)NCC#N 1586010590 QQIAAEGDZNSCLP-UHFFFAOYSA-N 401.492 1.745 30 10 HDEE CCCCNC(=O)CN1CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)CC1 1586522648 OANJOKBPHDRYNK-KRWDZBQOSA-N 423.558 1.634 30 10 HDEE C#CCN(CC#CC)C(=O)C[C@@H]1CS(=O)(=O)[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 1586950762 IFVGUDDQMZOBCY-ZACQAIPSSA-N 408.520 1.142 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(S(C)(=O)=O)cc1 1587550032 IEHWYTFEAIBXSE-AWEZNQCLSA-N 403.508 1.326 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CCNS(=O)(=O)CC 1587662494 NSCCPMWFGZUDGG-MRXNPFEDSA-N 414.535 1.678 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)cc(C)c2)n1Cc1cn(C2COC2)nn1 1588011463 BOEKOLMKDNUMAI-UHFFFAOYSA-N 407.478 1.754 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(C(=O)NC(C)C)n1CC(=O)N(C)CC 1588473631 PTEAJCDIVGKMCX-UHFFFAOYSA-N 414.485 1.674 30 10 HDEE C#CCN(CCOC)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CC=CCO1 1588673551 SJKSNHWTGWKLIY-MRXNPFEDSA-N 415.519 1.701 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C)cc2)n1C[C@@H]1COCCO1 1588696520 MBEOIGKXHNWXNG-LJQANCHMSA-N 400.479 1.667 30 10 HDEE C=CCCCCn1c(CC2CC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1594645346 KEVSWCUNLXKMEC-UHFFFAOYSA-N 400.527 1.514 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)c(F)c1 1594948091 ALUNOPFUAGORGJ-QGZVFWFLSA-N 414.485 1.875 30 10 HDEE C=CCn1c(N(C)CC(C)(C)CN2CCOCC2)nnc1[C@]1(OCC)CCOC1 1595453200 OCRKAORYXPJAPJ-NRFANRHFSA-N 407.559 1.911 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCN(c3ccc(C#N)cc3)CC2)ccc1F 1596589380 ICCWXFIOEMUPKL-UHFFFAOYSA-N 416.478 1.910 30 10 HDEE COc1cc2c(cc1OC)CN(C(=O)CCC(=O)NCc1cncc(C#N)c1)CC2 1596856560 XWZFVGGJNHJJME-UHFFFAOYSA-N 408.458 1.952 30 10 HDEE CC[C@](C)(O)Cn1c([C@H]2CCCOC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1613085666 NFGMEZMXSQXALQ-QKKBWIMNSA-N 412.494 1.868 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2C(=O)N[C@@](C)(c3cccc(C#N)c3)C2=O)c1 1613515239 RUYMMOQFWTWDTK-QFIPXVFZSA-N 415.409 1.655 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 1617046772 GOMUBPDNHUQRFZ-SFHVURJKSA-N 421.339 1.386 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2nncn2C)CC1 1617220368 DYRSHYODPNQPCO-UHFFFAOYSA-N 421.509 1.152 30 10 HDEE CC(C)c1ncc(Br)c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)n1 1618171952 UNAWUKSYWXIJGG-ZUZCIYMTSA-N 413.297 1.373 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)C[C@@]3(O)CCc4ccccc43)CC2)o1 1618754175 AVNTYTIHXUVELB-QFIPXVFZSA-N 409.490 1.269 30 10 HDEE COC[C@H](Cn1c(-c2cccn2C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1619599124 CZBBGOFYXWQRSU-INIZCTEOSA-N 423.477 1.480 30 10 HDEE Cc1csc([C@@H]2CCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)C2)n1 1620560140 MHPJXZUPTRBNPR-OAHLLOKOSA-N 400.508 1.758 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1 1622579971 RXQXMMNIASSCNE-HNAYVOBHSA-N 407.492 1.502 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCn3ncnc32)c1 1624893056 RTTGERRBHXXKJG-QIIGAIICSA-N 402.480 1.607 30 10 HDEE O=C(NCC#CCO)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1 1626174638 WGLFOHVLRNMBAJ-UHFFFAOYSA-N 421.338 1.023 30 10 HDEE CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)C(=O)/C=C\c2ccc(F)cc2)C1 1626312945 DRBFHOIXIUSPHT-JXMNSVBMSA-N 404.438 1.668 30 10 HDEE Cc1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1B1OC(C)(C)C(C)(C)O1 1628373129 LPSSJTQZOOLBRD-GJZGRUSLSA-N 407.341 1.942 30 10 HDEE C=CCn1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)nn1 1630424313 DLXUDNALRGNGFM-HNNXBMFYSA-N 403.508 1.815 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)CCC(=O)Nc1ccc2nc(O)[nH]c2n1 1632227625 FYOPGQSMSHLHKU-UHFFFAOYSA-N 401.423 1.186 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C2(c3ccccc3)CC3(CCC3)C2)CC1 1632965580 BQKOATVIBRXNMA-UHFFFAOYSA-N 401.532 1.500 30 10 HDEE COCCCN(C(=O)CCn1cc(C#N)c(O)nc1=O)[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12 1633865179 ABKKKDBLPZZBMS-VINWQNLFSA-N 414.506 1.900 30 10 HDEE C#CCN1CCC(NC(=O)[C@@H](CCSC)N2C(=O)[C@H]3CCCC[C@H]3C2=O)CC1 1635160219 JIONOTGCUFSGDQ-FGTMMUONSA-N 405.564 1.497 30 10 HDEE N#Cc1cccnc1NCc1cccc(C(=O)NC[C@]23COCCN2C(=O)OC3)c1 1635985278 CGYGTDQDJWYIOI-OAQYLSRUSA-N 407.430 1.516 30 10 HDEE C=CCn1cc(CNC(=O)N2CCCN(c3nnc(C(F)(F)F)s3)CC2)nn1 1636331182 VBKTWFPNRLYKIA-UHFFFAOYSA-N 416.433 1.756 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCS(=O)(=NS(=O)(=O)c2ccc(C)cc2)CC1 1637139956 VIIVDQOBCUQOBA-SJORKVTESA-N 412.533 1.585 30 10 HDEE O=C(NCC#C[C@@H]1CCCCO1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 1637185735 FYJXZXYHOWLWGV-ROUUACIJSA-N 406.504 1.446 30 10 HDEE COCCN(CC#N)C(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1 1637300524 CSAPSABYOSATMZ-UHFFFAOYSA-N 404.286 1.068 30 10 HDEE CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(=O)NC[C@@H]1CCCN(CC#N)C1 1638390176 QHRALZSBZLVJQV-FUHWJXTLSA-N 423.558 1.394 30 10 HDEE CC#CC[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 1639840215 KAELANQCMPRCOD-MRXNPFEDSA-N 423.491 1.194 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nc(N)nc(C(F)(F)C(F)(F)F)n2)n1 1639868473 USQAPPOUALYTMT-UHFFFAOYSA-N 405.331 1.591 30 10 HDEE C#CC[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)OC 1642410653 JSNUJQXWJWOIRM-OAHLLOKOSA-N 406.485 1.773 30 10 HDEE C=CCCONC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(O)nc(=O)n2C 1642533675 NEIIVVBTSTWTSW-UHFFFAOYSA-N 410.386 1.667 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)CN1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 1643214152 NJEYIKHAKHXDKG-HKUYNNGSSA-N 407.536 1.009 30 10 HDEE C#CC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 1643563212 VUWBXGLUOTUZDZ-ZWKOTPCHSA-N 419.547 1.770 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CC[C@H](Cn4ccnn4)C3)C2)C1 1645255650 ABJYDGJKGLWEEJ-CLIJALBYSA-N 414.510 1.913 30 10 HDEE Cn1cc(I)c(C(=O)Nc2n[nH]c(-c3cccc(C#N)c3)n2)n1 1651271550 YMAPXMXDSJOJFA-UHFFFAOYSA-N 419.186 1.934 30 10 HDEE N#C[C@]12CN(C(=O)c3c[nH]c4cccc(Br)c34)C[C@H]1CS(=O)(=O)C2 1653072625 HUIPYJTXARGIQT-MGPLVRAMSA-N 408.277 1.941 30 10 HDEE CC[C@H](CC#N)NCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1654664174 BLNUMWFMBFYNNK-CYBMUJFWSA-N 414.915 1.581 30 10 HDEE COC(=O)[C@@H](NCC(=O)N1CCN([C@H](C#N)C(C)C)CC1)c1cccc(OC)c1 1655078604 PDUPNZYNCIJQTM-QUCCMNQESA-N 402.495 1.191 30 10 HDEE C[C@H](C(=O)Nc1cccc(N2CCCC2=O)c1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1655770681 MHDKBYZAOBGAGD-QEEYODRMSA-N 416.503 1.011 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)cc1 1658319756 AGYJGMAEGAWHNE-CALCHBBNSA-N 408.524 1.478 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2ccc(N3CCN(CC(=O)OC)CC3)cc2)CC1 1659168698 FZRJLUPHWBIIBC-UHFFFAOYSA-N 416.522 1.917 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(CC(=O)N2CCN(CC)CC2)cc1 1667637429 AQDKURDCPNVCEJ-UHFFFAOYSA-N 400.523 1.897 30 10 HDEE C#CCN(C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1CCN(C)CC1 1679033196 JMNCRCZGBKNAON-UHFFFAOYSA-N 424.489 1.287 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)C1 1684082931 LOQGWCSQEKEKPA-SFHVURJKSA-N 404.536 1.321 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCC(c3nccc(N4CCOCC4)n3)CC2)C1 1687593446 QOIAOVCRUPNBIP-IBGZPJMESA-N 412.538 1.300 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2COc3ccccc3O2)n1CC(=O)NCC(F)(F)F 1689853778 YGERNAMNSFGESO-IUODEOHRSA-N 423.395 1.927 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCNC(=O)c1ccco1 1689973479 DUYXEXRBHKDQNB-UHFFFAOYSA-N 412.475 1.362 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@](C)(O)CC)[C@H]1CCS(=O)(=O)C1 1689993503 FQBBICQNNPWWKN-QFBILLFUSA-N 422.576 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H]1CCCOC1 1690009164 WLDJUEDGJXMITD-KRWDZBQOSA-N 402.462 1.420 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2Cc2cccs2)CC1 1690143781 BTSMHMSGRMGDTI-UHFFFAOYSA-N 407.503 1.811 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1690174328 BLSMXRVJDCSOHQ-OALUTQOASA-N 418.611 1.365 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCO[C@@H]1C 1690188987 RWSOXMRIFJRABD-IPHXSNPTSA-N 410.478 1.457 30 10 HDEE C=C(Br)Cn1c([C@@H]2CCCCO2)nnc1N(C)CCS(C)(=O)=O 1690227630 CZUIADCOUQHCFC-LBPRGKRZSA-N 407.334 1.909 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCn2cc(C)cn2)CC1 1690411151 GEKAQYONYZANFC-QGZVFWFLSA-N 404.540 1.788 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 1690664216 LIJICQNUELKGEL-OAHLLOKOSA-N 421.523 1.552 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(Cc3nc(C)c(C)o3)CC2)nnc1C(C)(C)C 1690678273 QGIBOXQSZGIGGO-UHFFFAOYSA-N 415.542 1.805 30 10 HDEE C=CCSCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)C1 1690746926 NWRSGPLIJPGPRS-LSDHHAIUSA-N 415.585 1.376 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc([C@H]4CCCO4)n3CC(C)(C)O)CC2)c1C#N 1693407174 QYVCRJFFMYOSIY-MRXNPFEDSA-N 414.514 1.141 30 10 HDEE CCS(=O)(=O)NCCn1c(C)nnc1N1CCC[C@@H](Cc2ccc(C#N)cc2)C1 1696501388 PIJMISBIQGQLHU-IBGZPJMESA-N 416.551 1.857 30 10 HDEE CNS(=O)(=O)CCn1c(Cn2ccc3ccccc32)nnc1N(C)[C@@H](C)CC#N 1697025366 GYLUFLACRFOMEM-HNNXBMFYSA-N 415.523 1.569 30 10 HDEE N#C[C@H]1CN(c2nnc([C@@H]3CCCCO3)n2CCS(=O)(=O)CC2CC2)CCO1 1698492559 DERBXCWVLVMOMK-HOTGVXAUSA-N 409.512 1.073 30 10 HDEE C#CCN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@@]1(O)CCc2ccccc21 1705540617 HLMCZQQSLCZSEE-QFIPXVFZSA-N 402.458 1.829 30 10 HDEE C#CCN(C)c1nnc(-c2ccccn2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1705549098 HEQVTNJYJUPSPY-UHFFFAOYSA-N 416.533 1.995 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H]1CCC[C@@H](O)C1 1705550865 ZPINUSHXXCULOO-HZPDHXFCSA-N 416.551 1.859 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCN1CCCC1 1705577249 WLWRDKUDFOUEQP-UHFFFAOYSA-N 415.505 1.480 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCCCN1CCCC1 1705582943 NDEOZTDRDDHSAW-LJQANCHMSA-N 417.579 1.519 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(-c2cnn(C)c2)nnc1N1CC[C@](C)(C(=O)NC)C1 1705704276 RVGULOAZJKJJAL-KUDFPVQQSA-N 413.526 1.622 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1705828469 OROPIPOEJYXFFJ-HNNXBMFYSA-N 406.512 1.341 30 10 HDEE C=CCn1c(N2CCC(N3CCNC3=O)CC2)nnc1[C@@]1(OC(C)C)CCOC1 1705893754 RZYLOERTFGHOFK-HXUWFJFHSA-N 404.515 1.499 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)CC(F)(F)F 1705939949 QYLOGUYPMCIUHW-JTQLQIEISA-N 401.480 1.806 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H]1CCC(=O)N1 1706072216 AIFHIZOCSOAGHK-ZIAGYGMSSA-N 420.477 1.066 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2cn3ccccc3n2)n1CC1(O)CCOCC1 1706749781 CRZXNRXNRQDCIV-INIZCTEOSA-N 409.494 1.796 30 10 HDEE CNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 1711397745 AFMXDNMLKIUYTI-GOSISDBHSA-N 423.521 1.111 30 10 HDEE COc1ccccc1-c1nnc(N2CC[C@@](F)(C#N)C2)n1CC1(S(C)(=O)=O)CC1 1711952431 FKXFNFPWDMJNPR-GOSISDBHSA-N 419.482 1.973 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnccn2)n1C[C@@]1(C)CN(C2CC2)C1=O 1712454919 MVXRCEUNPCHFTJ-HXUWFJFHSA-N 410.482 1.112 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1CC1([S@](C)=O)CC1 1722386162 QXHFIWZHXQLVDP-LJAQVGFWSA-N 412.515 1.850 30 10 HDEE C#CCN(CC)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCC(=O)NC 1722404980 HUNASAVWGCZTHD-UHFFFAOYSA-N 417.539 1.142 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2Cc2nnc(C)s2)n1 1722430094 WROHGNCBCLSJBB-UHFFFAOYSA-N 412.523 1.846 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2csc(CC)n2)CC1 1722436698 LBJNNQSMDCVYFC-MRXNPFEDSA-N 400.552 1.995 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccco1)N(C)C 1722447429 NATWIPJVLDFNML-JKSUJKDBSA-N 400.483 1.211 30 10 HDEE C#CCSCCn1c(-c2cnn(C)c2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1722456293 WFSGFGXNPXTHBP-UONOGXRCSA-N 410.569 1.303 30 10 HDEE C=C(C)Cn1c(N2CC[C@](C)(N3CCOCC3)C2)nnc1[C@]1(OCC)CCOC1 1722553134 DRCJQVSVUDOYGK-SFTDATJTSA-N 405.543 1.807 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CC(=O)NC(C)(C)C 1722556671 RJMKOUUGTDBYSG-GFCCVEGCSA-N 403.936 1.284 30 10 HDEE C=C1CCN(c2nnc(CNC(=O)c3cccs3)n2CC(=O)NCC2CC2)CC1 1722568722 XIQUVKDPDAQWMN-UHFFFAOYSA-N 414.535 1.952 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N2CCCC2=O)CC1 1722740061 JXLZRYFQYJQGSO-INIZCTEOSA-N 418.567 1.740 30 10 HDEE CC(C)Cn1c(COc2ccc(C#N)cc2)nnc1N(C)CCNS(C)(=O)=O 1723445640 VVEQJWQMYQYJHA-UHFFFAOYSA-N 406.512 1.370 30 10 HDEE CC(C)O[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1723662917 HSNIOXIVKRIGON-WHSLLNHNSA-N 418.542 1.972 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCNC(=O)C(C)C 1740539468 QARKIWPDULRZHC-HNNXBMFYSA-N 417.535 1.579 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1CCS(=O)(=O)N(C)C 1740560182 CYQZIFHCHJEVBW-INIZCTEOSA-N 419.551 1.421 30 10 HDEE C#CCCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1740581150 QKOBGXCVVSWTFF-GOSISDBHSA-N 402.543 1.186 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCc1noc(CC)n1 1740642067 QZMPPODYGDRVHY-UHFFFAOYSA-N 423.502 1.531 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c[nH]c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1740687237 WTUGXYACCVEKHR-RBUKOAKNSA-N 423.517 1.976 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cn4ccccc4n3)n2C[C@@](C)(O)CCC)CC1 1740698290 QNRVTMWLCLRQRG-QHCPKHFHSA-N 421.549 1.823 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnccn3)n2CCc2ccncc2)CC1 1740704133 IJGFVXGACQLGNS-UHFFFAOYSA-N 416.489 1.339 30 10 HDEE C#CCSCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1cscn1 1740710521 ZWLSNUNPDLQUBI-GFCCVEGCSA-N 414.582 1.348 30 10 HDEE C#CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1740713642 JLIIBKSBNHFEIR-UHFFFAOYSA-N 401.517 1.418 30 10 HDEE C=CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@@H]2CCCN2C[C@@H]1C 1740858636 WNOUOHTWLPFKNH-ULQDDVLXSA-N 410.588 1.918 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCCC2)CCOC1 1741731112 GSUWFLLFNXCSPO-RXVVDRJESA-N 418.542 1.533 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccccc3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1743253678 PQNOIMYVGNWPFH-LZICOFPGSA-N 408.462 1.697 30 10 HDEE CCCN1CC[C@@H](Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCO[C@@H](C#N)C2)C1 1745696634 UHRZTOZUTMUDIK-XWSJACJDSA-N 418.542 1.463 30 10 HDEE CN(CCn1c(Cc2ccccn2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1747954196 FLJQMZSKCFGNPT-OAHLLOKOSA-N 409.416 1.487 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1748107858 YDRGVZBPOFNTHK-BTYIYWSLSA-N 412.494 1.441 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CCC[C@@H]1NC(=O)NC1=O 1748657787 JIFMRSULWWWAMA-KSSFIOAISA-N 417.473 1.939 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 1748747553 JWHDHVXHABQEPU-CYBMUJFWSA-N 416.423 1.665 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(C)c2)n1CC[C@@H](N1CCOCC1)C(F)(F)F 1748783195 HKQBBZXSWZGMMT-OAHLLOKOSA-N 411.432 1.401 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccc(Cl)cc2)n1CCS(=O)(=O)N(C)C 1748848683 NRAGMGGFECSNGW-UHFFFAOYSA-N 419.938 1.487 30 10 HDEE COc1ccc(OCc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCC(=O)N2)cc1 1748866116 CJPFQUNPIRPRII-MRXNPFEDSA-N 410.478 1.884 30 10 HDEE C#CCN(CC#CC)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](F)COC 1748901271 VQYROXCJULLFNX-OAHLLOKOSA-N 403.483 1.717 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1CCNS(=O)(=O)CC 1749051872 OWMDQHSFHKFGIT-LJQANCHMSA-N 424.571 1.128 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)Nc2ccccn2)n1CCCC(=O)N(C)C 1749052198 ZMVCMSLAWNXZLG-OAQYLSRUSA-N 409.494 1.786 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(CC)cc2)nnc1N1CCC[C@@H](CC(N)=O)C1 1749658664 TZNFAWTURPWNSJ-KRWDZBQOSA-N 410.522 1.902 30 10 HDEE C=CCSCCn1c(Cc2ccncc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 1749761710 FDZLCOWNKUCLJS-INIZCTEOSA-N 407.565 1.806 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@@H](C)C#N)n1CC(=O)NCC(F)(F)F 1750117864 HLSHUOOBZSNBBP-OBJOEFQTSA-N 418.420 1.276 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccnc2)n1CCN/C(O)=C1\N=CC=CC1=O 1760217135 QBTHLPODZLCNOK-XUTLUUPISA-N 415.457 1.329 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OCC)CCOC2)n1C[C@H](C)CN1CCOCC1 1760227407 DKHOWWAHFUZXGR-WIYYLYMNSA-N 405.543 1.358 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCO[C@@H]1C(C)C 1760248681 QBOVEBDIIWGUHR-JENIJYKNSA-N 403.527 1.766 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)N2CCOCC2)CC1 1760258680 QASSKCIJOMUDED-FQEVSTJZSA-N 408.550 1.729 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OCC)CCOC2)n1CC1(O)CC(OCC)C1 1760290508 HZINBQKYFJGBBI-AUQCUGNQSA-N 418.538 1.852 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(=O)OC)C1 1760336089 UUAFXZDLODNFOE-AIANPOQGSA-N 403.483 1.210 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](c1cccs1)N(C)C 1760456056 GHMKHIMJBAEALU-KGLIPLIRSA-N 412.585 1.875 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCO[C@H](c2noc(C(C)C)n2)C1 1760528056 QVKPVCAUSFFUIW-AWEZNQCLSA-N 419.486 1.201 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCCCN2CCOCC2)C1 1760545497 VOGSBSXWDHVWDJ-IBGZPJMESA-N 415.542 1.572 30 10 HDEE CC[C@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@@H](C1CC1)N(C)C 1763200976 DENMJOABTMYRIU-OALUTQOASA-N 407.522 1.872 30 10 HDEE CCc1nnc(N2CCO[C@H](C(C)(C)C)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1764943844 ULFVPCRBZCVACF-HEWTWTGNSA-N 402.499 1.618 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC(CC#N)CC2)n1CC1(O)CCOCC1 1769995904 UQFMOBOKPWGVEX-MRXNPFEDSA-N 407.515 1.674 30 10 HDEE COCCOc1ncccc1Cn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)CC#N 1770085839 FEDGOFHDBNEEBG-DOTOQJQBSA-N 400.483 1.989 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3cc(-c4ccccc4)on3)n2CCOCCCO)CCO1 1770749449 YDPASIZDODDSLU-QGZVFWFLSA-N 424.461 1.728 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](S(C)(=O)=O)C1)OC 1770760224 AZGWRTZXLWNPKA-IRXDYDNUSA-N 419.507 1.101 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@]4(CNC(=O)C4)C3)n2CCOCC(F)F)c1 1771531682 YYOONAXTRJPGHA-FQEVSTJZSA-N 416.432 1.815 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCC(N(c3cc(N(C)C)ncn3)C3CC3)CC2)CC1=O 1848638433 UUFVVIFTHFBGID-MRXNPFEDSA-N 412.538 1.537 30 10 HDEE COc1[nH]c(=NC(=O)[C@@H]2CC(=O)N(Cc3ccc(F)cc3F)C2)c(C#N)cc1C#N 1851054685 LWRNDQXGSLJXOK-CQSZACIVSA-N 411.368 1.521 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)O[C@H]3CON(c4ccc(C#N)cn4)C3)CC2=O)cc1 1851165761 QKUKEDRHZQLIJJ-MAUKXSAKSA-N 408.414 1.678 30 10 HDEE N#Cc1ccc(N2C[C@H](OC(=O)[C@H]3CC(=O)N(c4cc(F)cc(F)c4)C3)CO2)nc1 1851783180 SZHIDPMCTFRYQE-GUYCJALGSA-N 414.368 1.948 30 10 HDEE N#Cc1ccc(OC[C@@H](CN2CCOCC2)OC(=O)c2cc3n(n2)CCCO3)cc1 1852202706 LKQQNLUDLJUTIH-GOSISDBHSA-N 412.446 1.474 30 10 HDEE C#CCCN1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)CC1 1852688973 SPQQWTADRXCIGW-KRWDZBQOSA-N 409.939 1.661 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3COc4ccccc43)C(=O)C2)cc1 1854036163 YOEGWNKGWVONRC-QGZVFWFLSA-N 411.439 1.094 30 10 HDEE CN(C1CN(c2nccnc2C#N)C1)[C@H]1CCCCN(C(=O)[C@H]2CCCS2)C1=O 1854880986 MSBZILCZJVHFEG-DLBZAZTESA-N 414.535 1.272 30 10 HDEE COc1ccc(Cn2cc(C(=O)N3CCCC[C@@H](N(C)CCC#N)C3=O)nn2)cc1 1856348784 IQAYEZNNKBTSMD-LJQANCHMSA-N 410.478 1.702 30 10 HDEE CC(C)CC[C@@H](F)C(=O)N1C[C@H](C2CCN(S(=O)(=O)CC#N)CC2)OC1=O 1856671873 MGRJURHEUCDFSE-HUUCEWRRSA-N 403.476 1.673 30 10 HDEE Cn1cnnc1C1CCN(C[C@H]2CC(=O)N(C(=O)Cc3ccc(C#N)cc3)C2)CC1 1856945616 CVWYPFIDDGITPP-GOSISDBHSA-N 406.490 1.484 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CC(=O)N(C(=O)c3ccc(F)c(F)c3)C2)CC1 1857056507 NCQSISXZWMOFCA-CQSZACIVSA-N 411.430 1.519 30 10 HDEE N#Cc1ncccc1OC1CN([C@@H]2CCN(C(=O)[C@H]3CCCC(F)(F)C3)C2=O)C1 1857103081 BNAAGRILBLQKQA-XJKSGUPXSA-N 404.417 1.969 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@H](CN3CCC(N4CCCC4=O)CC3)CC2=O)cc1 1857207427 OKZGTEPUEMXOEV-IBGZPJMESA-N 408.502 1.563 30 10 HDEE N#CCC(=O)N1CCN([C@@H]2CCN(Cc3cnc(-c4ccccc4F)o3)C2)CC1=O 1857306356 RAWHDGDIKGTNLI-OAHLLOKOSA-N 411.437 1.639 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CC[C@H](NC(=O)c3cccc(C#N)c3)C2)c1 1858319779 GFHISJBJFUURNX-INIZCTEOSA-N 415.471 1.768 30 10 HDEE CN1CCN(NC(=S)N/N=C/c2cc(Cl)cc(Br)c2O)CC1 1860500111 GGZAATGSZADXAK-LZYBPNLTSA-N 406.737 1.769 30 10 HDEE O=CNCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc(O)c(O)c1 1862676039 YVIMIHVDARQNIW-SFHVURJKSA-N 414.389 1.951 30 10 HDEE O=c1c(Br)c(N/N=C/c2ccco2)cnn1[C@@H]1CCS(=O)(=O)C1 1873526910 BVZCFLBFNBNGJX-UXWFALKESA-N 401.242 1.404 30 10 HDEE CC(C)(C)OC(=O)NCC#CC(=O)Nc1nccnc1I 1885552189 OAUZXTMTPZBAOP-UHFFFAOYSA-N 402.192 1.548 30 10 HDEE Cc1cc(CC(=O)N2CCC(OCC#CCN3CCN(C(C)C)CC3)CC2)on1 1889313068 CALFELPTNBNRIK-UHFFFAOYSA-N 402.539 1.563 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)Cc3ccccc3OC)CC2)CC1 1890143880 IJKPVYHWSKIMPT-UHFFFAOYSA-N 413.562 1.886 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H](CCCNC(=O)OC(C)(C)C)C(=O)O 1976393552 ZLPLRIPLRUANMC-JTQLQIEISA-N 415.306 1.573 30 10 HDEE CN1CCN(c2cc(Br)cnc2C#N)[C@@H](CNC(=O)C(F)(F)F)C1 2054341340 NOWOHPBZVBPXKQ-JTQLQIEISA-N 406.206 1.515 30 10 HDEE CN([C@@H]1CC[C@H]1NC(=O)OCc1ccccc1)S(=O)(=O)N1CCC[C@@H](C#N)C1 2054403308 NNZUYOCIHMVRME-RCCFBDPRSA-N 406.508 1.856 30 10 HDEE C=CCn1ncc(N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(Br)c1=O 2062444633 UUGQHIHBZMNBAO-NEPJUHHUSA-N 415.288 1.584 30 10 HDEE N#Cc1ccc(C[S@](=O)CC[C@@H](NC(=O)OCc2ccccc2)C(=O)O)nc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c1cnn(CCC(=O)O)c1 2196997247 LORBTFJQEYSQFH-UHFFFAOYSA-N 402.473 1.107 30 10 HDEE N#C[C@@](N)(Cn1ccnc1CCCN1C(=O)c2ccccc2C1=O)C1CCOCC1 2208113931 FJQDPAJYEHGJKX-JOCHJYFZSA-N 407.474 1.760 30 10 HDEE CCCN[C@@H](C#CP(C)(C)=O)[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2225388603 JFKSSRMZRRJLAJ-GJZGRUSLSA-N 406.485 1.972 30 10 HDEE CO[C@H]1C[C@@H](CNC(=O)C#CB2OC(C)(C)C(C)(C)O2)N(C(=O)OC(C)(C)C)C1 2243394265 FLIFDHQATBMVQS-GJZGRUSLSA-N 408.304 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CCC(CO)(NC(=O)C#CB2OC(C)(C)C(C)(C)O2)CC1 2243428578 NUINPFSWSDVVSA-UHFFFAOYSA-N 408.304 1.499 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248405187 RYJONSYDWILUBD-CYBMUJFWSA-N 421.303 1.859 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)C1 2258167593 DMTDOQITRRMJQU-XIRDDKMYSA-N 408.476 1.176 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)N(CCC#N)CC1CC1)NC(=O)OCc1ccccc1 2270536615 CYQCSIPWDUNOAH-KRWDZBQOSA-N 423.491 1.410 30 10 HDEE C[C@H](NC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)c(Cl)s1)C1CS(=O)(=O)C1 2281961394 MAOCSGAYBNPMHG-VIFPVBQESA-N 419.761 1.864 30 10 HDEE CO[C@H]1C[C@@](CO)(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)c(Cl)s2)C1 2281968022 BDVVNWCNLQCIDY-RKQQLJTISA-N 401.721 1.970 30 10 HDEE C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)C(F)(F)F 2282336455 DKJRFJUBBFYBFE-LDYMZIIASA-N 415.264 1.637 30 10 HDEE C[C@@H]1NC[C@@H](C)N(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)[C@H]1C 2282336874 HQTWFRIKCDEPOE-AGIUHOORSA-N 400.375 1.807 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@H]3CCCNCC3)c2)OC1(C)C 2282338100 OUGDTZMBBOLBRI-ZDUSSCGKSA-N 400.375 1.715 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@@H](CCN)C3)s2)OC1(C)C 2282345397 ZLPURFNIIVJBLG-ZDUSSCGKSA-N 400.375 1.797 30 10 HDEE C[C@H]1OCCO[C@H]1CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282408797 KTRZBRSUTMGRCO-YPMHNXCESA-N 403.331 1.130 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CCCC[C@H]2N)OC1(C)C 2282489899 GLRUHGXZGWJMBI-GXTWGEPZSA-N 400.375 1.843 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C1CNC1 2282490938 JTTZMLWTCNBIPU-LLVKDONJSA-N 400.737 1.525 30 10 HDEE C[C@@H]1CNC[C@@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282501263 VENKVOGYHJIRPG-STQMWFEESA-N 400.375 1.571 30 10 HDEE CC[C@@]1(N)CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282501666 ACBRVUDPHVXDJH-QGZVFWFLSA-N 400.375 1.939 30 10 HDEE C[C@@H](CNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1)[S@](C)=O 2282511621 NWCILFFDQLQGMF-FTJNGKRUSA-N 421.777 1.685 30 10 HDEE Cc1nc(C(=O)N[C@@H]2C[P@](C)(=O)C[C@@H]2O)c(B2OC(C)(C)C(C)(C)O2)s1 2282520978 UWOJBNITUUHCNN-JJPWZELDSA-N 400.246 1.217 30 10 HDEE CCNC(=O)[C@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282829463 FCSUEQQCSKGJLG-JTQLQIEISA-N 402.347 1.159 30 10 HDEE COC[C@H]1C[C@H]1CNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282829817 KQSVEWBWAWDEFJ-QWHCGFSZSA-N 401.359 1.917 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CN)C(F)(F)F 2282833882 MATVYAMHKIHARC-SNVBAGLBSA-N 414.280 1.524 30 10 HDEE C[C@H](CCNS(=O)(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1)[S@@](C)=O 2282868326 LVQXNJOKDLIGQC-YMXBGEKHSA-N 401.359 1.421 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@@H]1CC[C@H]1C(=O)O 2284395934 RCLREKLJRVLNKX-GHMZBOCLSA-N 401.315 1.497 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CCCC[C@@H]3C(=O)O)c2)OC1(C)C 2284404491 ZESATNXGNQVJCM-GFCCVEGCSA-N 401.315 1.675 30 10 HDEE C[C@H](NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)[C@@H]1C[C@H]1C(=O)O 2284405088 GKKHPJINTCLWOG-GARJFASQSA-N 401.315 1.435 30 10 HDEE C[C@H](CCC(=O)O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284414467 RASHEWVIAMMSEF-LLVKDONJSA-N 403.331 1.827 30 10 HDEE CO[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2301728017 OPKUZNNQWQDBPJ-ZDUSSCGKSA-N 424.303 1.848 30 10 HDEE COC1(C#C[C@@H](O)[C@]2(NC(=O)OC(C)(C)C)CCS(=O)(=O)C2)CCCCC1 2363653355 ZCRQDCKZCAGMBP-BEFAXECRSA-N 401.525 1.782 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1C[C@](O)([C@H](N)C#CC(C)(C)S(C)(=O)=O)C2 2365195774 FJDAULWPVBSYCS-NXEZDXNNSA-N 400.541 1.433 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)OC1 2367787002 JNMJDSOTAVJCGJ-BZUAXINKSA-N 400.541 1.475 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]([C@@H](N)C#CC2(S(C)(=O)=O)CCC2)O1 2367798506 QZXQSXSQCKZVAX-JYJNAYRXSA-N 400.541 1.747 30 10 HDEE CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)CC2(C#N)CCC2)(C(=O)O)CC1 2380184130 QFISTHQLAODBGP-UHFFFAOYSA-N 401.485 1.454 30 10 HDEE CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2CCOCC2)SC1=S 5895738 XVTADFOCMUWBPW-NTEUORMPSA-N 404.517 1.623 30 10 HDEE CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2/C=N/NC(N)=S)C1 59377886 NENJYFAJOHEUCS-AYPRBGQRSA-N 406.512 1.847 30 10 HDEE O=[N+]([O-])c1ccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)o1 254756620 XKBOEEJXJLAAES-UHFFFAOYSA-N 403.399 1.097 30 10 HDEE CN(Cc1csc(B2OC(C)(C)C(C)(C)O2)c1)S(=O)(=O)C[C@@H]1CCCO1 404858303 BHCLIZNLJCRIBD-AWEZNQCLSA-N 401.359 1.988 30 10 HDEE C[C@H]1CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C[C@]2(CCO[C@H](C)C2)O1 431231808 WDTRZNXWPPGTFL-GQIGUUNPSA-N 421.519 1.677 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N2CCN(CC(=O)N3CCCCC3)CC2)c(F)c1 440064091 RQVSIQYPRDIDHY-UHFFFAOYSA-N 408.499 1.157 30 10 HDEE COc1cccc(F)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 468210116 KNPZUPGUMZXVMX-UHFFFAOYSA-N 403.435 1.853 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc[nH]n3)cc2)CC1 473499629 RLVIQGWXODADOE-UHFFFAOYSA-N 422.470 1.490 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(OC(F)F)cn2)CC1 475278276 IGGVPAVYOWHJMZ-UHFFFAOYSA-N 422.413 1.701 30 10 HDEE CCC(C)(C)C(=O)C(C#N)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 478742351 DDZITJRVIDIKRA-INIZCTEOSA-N 411.527 1.992 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccnc(C#N)c2)c1 483772982 ATLRVESAFCRTFE-UHFFFAOYSA-N 415.475 1.292 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)N(CCC#N)CC(F)(F)F)c1OC 485984739 AEYCZPNLWHFIKV-UHFFFAOYSA-N 410.370 1.957 30 10 HDEE Cc1cnn(Cc2cc(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)no2)c1 486001511 ITKOPHRCMJOXJR-SFHVURJKSA-N 404.430 1.630 30 10 HDEE CNS(=O)(=O)CCCN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 501048690 RTZKCFOSOHLKCT-INIZCTEOSA-N 415.357 1.571 30 10 HDEE C[C@H](CC#N)N(C)C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 505135656 KQZYFGWQZNEHLU-LLVKDONJSA-N 416.297 1.563 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1 509001548 NSKCMALYSGOTMI-GOSISDBHSA-N 418.542 1.077 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 511362495 LCOSZJCELSLKIB-AZUAARDMSA-N 400.523 1.784 30 10 HDEE C[C@@]1(c2ccccc2F)NC(=O)N(CCS(=O)(=O)c2cccc(C#N)c2)C1=O 513788572 SZINAPZAXZDQDT-IBGZPJMESA-N 401.419 1.938 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(Br)c(F)c2)c(=O)n1C1CC1 531655438 WODRXPMWKOAPHW-UHFFFAOYSA-N 422.279 1.395 30 10 HDEE COCCOc1ccc(C#N)cc1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2 544099422 XXIBGZURDGSLCX-UHFFFAOYSA-N 422.484 1.714 30 10 HDEE C[C@@H]1CC(C)(C)C[C@](CO)(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 546919986 FKXBYDCPAXMQHE-STXHMFSFSA-N 407.536 1.919 30 10 HDEE CNC(=O)C1CCC(NS(=O)(=O)c2cccc(Br)c2C#N)CC1 553806512 HYPLIUFBGICOEQ-UHFFFAOYSA-N 400.298 1.904 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 558164543 XCAFXWYOYKCQPF-CQSZACIVSA-N 416.459 1.380 30 10 HDEE CC(C)Cc1nnc(NC(=O)CN(C)CCS(=O)(=O)c2ccc(C#N)cn2)s1 562060002 MXBHKKNZHSJYBO-UHFFFAOYSA-N 422.536 1.347 30 10 HDEE C=C[C@](C)(O)CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 579767885 ZWBWKKBTNCVTAN-INIZCTEOSA-N 406.426 1.865 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2ccc(OCC(F)(F)F)nc2)CC1 604168098 QDUCUJIWUZKYAB-UHFFFAOYSA-N 415.416 1.152 30 10 HDEE C=CCn1c(COC)nnc1N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 619743109 QIFCNWLSNOYAAR-UHFFFAOYSA-N 422.467 1.030 30 10 HDEE C=CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCC(NS(C)(=O)=O)CC1 669810237 CMXROCJYYPQFRH-UHFFFAOYSA-N 421.523 1.666 30 10 HDEE C=CCn1c(S)nnc1-c1sc(NC(=O)CN2C(=O)NC(C)(C)C2=O)nc1C 732094302 GQPDLRANAKQUQG-UHFFFAOYSA-N 421.508 1.454 30 10 HDEE COC(=O)c1cc(C(F)(F)F)cc(S(=O)(=O)NC(=O)c2ccc(C#N)nc2)c1 734713206 XFPKJJYYXZPNPJ-UHFFFAOYSA-N 413.333 1.877 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)OC(C)(C)C)CC1 735876433 HLOIXIBQFJECHS-DOTOQJQBSA-N 424.542 1.193 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 742663083 HEVCAYHHWVNERL-ICFOKQHNSA-N 403.826 1.126 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)C#CCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 757470329 GCGBVQWQAUYYDS-SPLOXXLWSA-N 422.437 1.479 30 10 HDEE N#CC1(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Br)CC1 757967928 WSSFQWXDWHOWHF-UHFFFAOYSA-N 414.281 1.256 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@H](C(=O)O)C1 776595936 UPMMGSHACNXPOV-DZGCQCFKSA-N 407.492 1.607 30 10 HDEE C[C@H](OC(=O)[C@H](O)c1ccc(C#N)cc1)C(=O)c1ccc(NS(C)(=O)=O)cc1 780203607 CUCDDEFCURPLEJ-KPZWWZAWSA-N 402.428 1.778 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N[C@H]1CCCN(Cc2c(F)cccc2F)C1 783002563 IMIVWNNZENOFJW-AWEZNQCLSA-N 401.479 1.829 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)c1cc(OC)c(OC)cc1NC(=O)[C@@H]1C[C@@H]1C 783617564 FGURWNCDAWAXTI-QWHCGFSZSA-N 410.492 1.629 30 10 HDEE N#C[C@H](C(=O)CN1CCC(Oc2cnccn2)CC1)c1nc(O)c2ccccc2n1 785900925 MRIXARBPHBXHSZ-MRXNPFEDSA-N 404.430 1.845 30 10 HDEE C#CCN(C(=O)NCCN1CCc2c(Cl)cccc2C1)[C@H]1CCS(=O)(=O)C1 785941108 XACCSMOJMBXNTF-INIZCTEOSA-N 409.939 1.530 30 10 HDEE Cc1ccn2ncc(C(=O)NS(=O)(=O)c3ccc(C#N)c(Br)c3)c2n1 790841961 SOGQNQKXLMEVKU-UHFFFAOYSA-N 420.248 1.791 30 10 HDEE C=CC[C@]1(C(=O)N2CC(n3cc(C(N)=O)nn3)C2)CCCN1C(=O)OC(C)(C)C 790863396 RXELWTSQXRKXQP-LJQANCHMSA-N 404.471 1.106 30 10 HDEE CC(C)NS(=O)(=O)c1c[nH]c(C(=O)O[C@@H]2CCCN(c3cc(C#N)ccn3)C2)c1 791976242 GMBCBRWIHJSDNH-OAHLLOKOSA-N 417.491 1.794 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(Cl)cc(F)cc1Cl 797820513 AVLPEYCVOVMQHH-SNVBAGLBSA-N 400.280 1.944 30 10 HDEE C=CCN1CC[C@H](OC(=O)c2ccc(Br)c(S(N)(=O)=O)c2)C1=O 798593289 CKGONKRSUJVLSL-NSHDSACASA-N 403.254 1.040 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2ccccc2S(=O)(=O)C(F)(F)F)CCN1C1CC1 804997190 UKEINIMOMLIIAY-LBPRGKRZSA-N 423.438 1.341 30 10 HDEE C[C@H](NC(=O)C(=O)NCc1cccc(-c2ccc(C#N)s2)c1)[C@@H]1CN(C)CCO1 807249803 HUFJUTPIJWIPQX-KSSFIOAISA-N 412.515 1.738 30 10 HDEE C=CCNC(=O)COC(=O)[C@@H]1[C@H]2[C@H]3C=C[C@@H]([C@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]34)[C@H]21 810833713 ASLSTHPTXXJXHU-QGYXVZHVSA-N 420.465 1.311 30 10 HDEE C#C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1)c1ccc(F)cc1 812754131 YAPVXCHOLRMLLJ-INIZCTEOSA-N 407.492 1.996 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCc2cc3ccccc3n(C)c2=O)n1 813839251 VRTPYMDAQFYUHT-UHFFFAOYSA-N 407.474 1.726 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1 914494805 UIONIPLJVPJMNU-UHFFFAOYSA-N 405.520 1.319 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc2c(cc1Cl)CCC(=O)N2 917925742 LRVSTUOSALTFJE-LBPRGKRZSA-N 416.908 1.036 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(NN=C(C)c3ccncc3)n2)o1 1083881398 YTGFSUIBROPZMJ-UHFFFAOYSA-N 401.456 1.390 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CN(Cc4ccncc4)CCO3)CC2=O)cc1 1132075548 RFEFCBJLZTVMAB-PZJWPPBQSA-N 419.485 1.323 30 10 HDEE Cn1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(-c2cc(F)ccc2F)n1 1136671547 LFLWDUGXBWIYBV-HTXNQAPBSA-N 401.373 1.622 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)ccc2c1=O 1142979816 KRFOXFPVZSNMIJ-CYBMUJFWSA-N 415.519 1.063 30 10 HDEE Cc1cc(C)nc(-n2[nH]c(C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)cc2=O)n1 1143799242 AHSTYSKIWMULKZ-UHFFFAOYSA-N 420.429 1.904 30 10 HDEE C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N(C)C[C@H](O)c2cccc(C#N)c2)cc1 1146221958 VRZXIOJOVYZMAT-KUHUBIRLSA-N 417.487 1.023 30 10 HDEE C#C[C@H]1CCCN(C(=O)c2ccc(I)cc2-n2cnnn2)C1 1163599392 TVBWAHCEBZWKNI-NSHDSACASA-N 407.215 1.752 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)N2CC[C@@H](N(C)c3cccc(C#N)c3)C2)C1 1163652360 PWSNAORJOUXHCI-IEBWSBKVSA-N 404.536 1.657 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1c2ccccc2C(=O)N1C 1171491265 SMNYHCYZROWDBN-UGSOOPFHSA-N 412.471 1.168 30 10 HDEE Cn1cc(C(F)F)c(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)n1 1171868330 FHBLAPDPVUDIMB-UHFFFAOYSA-N 411.434 1.493 30 10 HDEE C#CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)c(NC(C)(C)C)cc1F 1185675240 MSGYJTCBJZIUEE-GFCCVEGCSA-N 417.528 1.429 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C(=O)OCC 1190403127 PYMNBNMFUDVPAK-LSDHHAIUSA-N 420.528 1.440 30 10 HDEE N#C[C@H](c1cccs1)N1CCN(C(=O)CN2C[C@H](O)CC3(CCOCC3)C2)CC1 1197245921 IWTMTYDSORDVLI-QZTJIDSGSA-N 418.563 1.320 30 10 HDEE CC(C)(C)OC(=O)N1CCOC[C@@H](N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C1 1205614102 CAWVXJKJBKHRIY-OALUTQOASA-N 414.506 1.885 30 10 HDEE C=CCN(C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)OC)C2)[C@@H]1CCS(=O)(=O)C1 1219197658 XJAWVMMHNNMJEM-VXGBXAGGSA-N 413.521 1.628 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1 1225334028 NLDLHLCNAJLVLE-SFHVURJKSA-N 407.536 1.815 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 1248485443 IUCRQWSPAAVIIG-RTBURBONSA-N 404.536 1.508 30 10 HDEE C#CC[C@@H](COC)NC(=O)NC[C@H]1CC2(CCN(C(=O)OC(C)(C)C)CC2)C(=O)O1 1253779516 PRLXZVGTEVMXSQ-JKSUJKDBSA-N 423.510 1.657 30 10 HDEE C#CCN(c1nnc(C)n1C[C@@H](C)N(C)c1ccccc1)[C@@H]1CCS(=O)(=O)C1 1286386259 XNIWQELGQYDUKT-VQIMIIECSA-N 401.536 1.738 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC)nc1 1286429324 AJYXTFMAVHYNIZ-KRWDZBQOSA-N 413.503 1.095 30 10 HDEE C=C(C)COCCn1c(Cc2ccccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286609347 JAZZSBKJHOJOGN-QGZVFWFLSA-N 405.524 1.480 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC=C 1286781748 ZHKUPXQHAQUEEM-UHFFFAOYSA-N 402.886 1.786 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 1286794093 WLZRYYLETDOPFW-UTKZUKDTSA-N 415.469 1.669 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H](C)CC)nnc1N1CCOC2(CCOCC2)C1 1286816911 IVXNJJUNHSYAKG-INIZCTEOSA-N 412.556 1.778 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(S(C)(=O)=O)c(Br)c1 1287989186 SMNAFZVJSSVPGT-UHFFFAOYSA-N 403.254 1.381 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3F)CC2)n1CC1([S@](C)=O)CC1 1290858047 FPNYNYNWGDJIDF-NDEPHWFRSA-N 402.499 1.835 30 10 HDEE CN1CCn2ncc(C(=O)N[C@H](C#N)c3cccc(Cl)c3Cl)c2S1(=O)=O 1293019236 GNAWOTWXRQSTQY-GFCCVEGCSA-N 414.274 1.819 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@@]23CCC[C@@H]2N(C(=O)OC(C)(C)C)CC3)CC1 1297516295 GHEFHKPOHWKLOQ-HTAPYJJXSA-N 418.538 1.060 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1300308243 NUXHAAOZDPAKSU-RDJZCZTQSA-N 405.568 1.513 30 10 HDEE C#CCCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)NCC)CC1 1300336396 GRLJVARFDRCZMX-UHFFFAOYSA-N 401.515 1.169 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N(C)CCN1C[C@H](C)O[C@H](C)C1 1300370920 HWCJFMWLLXDAND-KDURUIRLSA-N 416.570 1.749 30 10 HDEE C#CCN(C)c1nnc(-c2noc3c2COCC3)n1Cc1cccc(C(=O)NCC)c1 1300456305 YVAIZAQHZUPXBT-UHFFFAOYSA-N 420.473 1.873 30 10 HDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@@]1(O)CCN(C)C1 1300513016 UVVMPUOCUOPMSH-HSZRJFAPSA-N 403.530 1.888 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1C[C@@H](C(C)C)N1CCOCC1 1300553756 RDIYYRKOWCFNNQ-IBGZPJMESA-N 414.554 1.236 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC)Cc1cnn(C)c1 1300762705 LUTGATQUQZLUOU-MRXNPFEDSA-N 422.580 1.307 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCNC(=O)C1CC1 1300786183 FDYPBIOJHWQESX-FGZHOGPDSA-N 415.538 1.837 30 10 HDEE C=CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCSCC 1301297937 WIIZPBDKOPQCTD-CQSZACIVSA-N 403.574 1.376 30 10 HDEE C=CCn1c(N2CCN(C(=O)c3ccccn3)CC2)nnc1[C@@]1(OCC)CCOC1 1301473705 IQSXJMNNYLMKIM-OAQYLSRUSA-N 412.494 1.474 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1301490271 PFMZBWQGGCWSCF-KRWDZBQOSA-N 414.510 1.307 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C(=O)NCCC)C1 1301500796 POCTVVTWEYQELM-DLBZAZTESA-N 418.542 1.565 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@H](C2CC2)C1 1301596688 VWMVIMQOTBZDMW-SQNIBIBYSA-N 424.567 1.839 30 10 HDEE CC(C)c1nnc(N(C)CCc2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1302587070 URTVYBDLEFZDDI-ZPHPHTNESA-N 410.482 1.397 30 10 HDEE CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H]2CC[C@H](CO)O2)CC1 1303311794 MKRQAUGFRCDOIY-VQTJNVASSA-N 410.522 1.887 30 10 HDEE CC(C)NC(=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 1303347221 KLIRLSIALQEWQU-UWJYYQICSA-N 416.526 1.884 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)C[C@H](O)c3ccccc3)CC2)cc1 1307571069 ABAUMLZMCGSOFY-FPOVZHCZSA-N 415.515 1.349 30 10 HDEE C#CCN(C(=O)NCCN1CCOC[C@@H]1C)C1CCN(C(=O)OC(C)(C)C)CC1 1311893778 IRCSCFOGOJLTRJ-KRWDZBQOSA-N 408.543 1.751 30 10 HDEE CC[C@@H](NC(=O)NCCn1cc(C#N)c(O)nc1=O)c1cccc(OC)c1OC 1313186087 ZKOOLUBRRFCLEI-CQSZACIVSA-N 401.423 1.288 30 10 HDEE CCN(CC)CCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](C#N)C1 1313720556 NDEIJKBYBRIFKW-BZSNNMDCSA-N 406.531 1.463 30 10 HDEE COC[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H](n2cncn2)C1)OC 1315793329 IZOABSAEZXRVKA-RTBURBONSA-N 422.493 1.911 30 10 HDEE COCC1=CCN(c2nnc(COc3ccc(C#N)cc3)n2CCn2cncn2)CC1 1315869313 DUPASWAIDLRMSB-UHFFFAOYSA-N 420.477 1.803 30 10 HDEE C=C[C@H](COC)NC(=O)C1[C@H]2[C@H]1[C@H]1C=C[C@H]2[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21 1347368915 BBNLVGAIDYNRKI-ZSXPZZPQSA-N 406.482 1.783 30 10 HDEE CCCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3C)c2)CC1=O 1354740303 DIGGORBAJGNAHG-GICLCMKGSA-N 406.508 1.696 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)Cc3ccc(C#N)nc3)CC2)cc1 1354860712 YCXWFNYBLQCEQD-UHFFFAOYSA-N 412.471 1.231 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H](C)COC 1358876145 CVHSKRIFCFMLKV-JKSUJKDBSA-N 419.551 1.936 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@]1(O)CCS(=O)(=O)C1 1358885432 KBWNNDIUPAOFPZ-VLIAUNLRSA-N 413.503 1.434 30 10 HDEE C#CCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2sccc2C)CC1 1359029377 WCCZTSBRZZFUSL-OAHLLOKOSA-N 422.580 1.062 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccsc3)n2Cc2nncn2C)CC1 1359046535 VPPQINJKGRBLRK-UHFFFAOYSA-N 424.534 1.073 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCCc1cnn(C)n1 1359065515 SLCGMROXCVIRRG-OXQOHEQNSA-N 401.515 1.756 30 10 HDEE C=C1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCCn2cc(CO)nn2)CC1 1359158095 FILBMYBEBQSPMO-UHFFFAOYSA-N 423.481 1.256 30 10 HDEE C=CCC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](C)(C(=O)NC)C1 1359188281 KOHPFZZRKXRAAK-YWZLYKJASA-N 423.583 1.745 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1359331540 BXGINNFYXGPJJJ-KURKYZTESA-N 423.583 1.446 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](C)(C(N)=O)C1 1359336582 VGPJVAQYHZHSLE-IBGZPJMESA-N 415.523 1.546 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCn2ccnc2C1 1359473457 CLGDFSMVYMGPDR-OAGGEKHMSA-N 417.539 1.235 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCn2c(Cc3cccc(F)c3F)nnc2C1 1438859331 YVCFETLCKBNFCT-MRXNPFEDSA-N 403.433 1.960 30 10 HDEE COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccc(C#CCO)c3)CC2)c1 1441146711 MBNYBCHRRHOEDA-UHFFFAOYSA-N 408.454 1.646 30 10 HDEE C=C(Cl)C[C@H](NC(=O)CCC(=O)N1CC(=O)Nc2ccccc21)C(=O)OCC 1454711268 TVKOLOYJLPRQAG-AWEZNQCLSA-N 407.854 1.942 30 10 HDEE N#Cc1ccc(N[C@@H]2CCCN(C(=O)CNC(=O)NCc3ccc(F)cc3)C2)nc1 1456059432 HLGODBGGWRNQSA-GOSISDBHSA-N 410.453 1.995 30 10 HDEE Cn1c(NC[C@@H]2CCC(C)(C)CN2C(=O)OC(C)(C)C)c(C#N)c(=O)n(C)c1=O 1458541449 NZYDBRXDLVTOAB-ZDUSSCGKSA-N 405.499 1.793 30 10 HDEE N#C[C@]12CN(CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@H]1CS(=O)(=O)C2 1460885997 YYYUNCFQJUYQNA-CEWLAPEOSA-N 401.532 1.904 30 10 HDEE COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cnc(OC)c(C#N)c3)C2=O)cc1 1462896560 YGQYKKNDZCPUMM-HXUWFJFHSA-N 409.402 1.376 30 10 HDEE CS(=O)(=O)C[C@@H]1CCCCN1S(=O)(=O)c1cc(Br)cc(C#N)c1 1463730661 CKFIFSXVUYALCJ-ZDUSSCGKSA-N 421.338 1.909 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O 1464180774 PWRSKFXYNMZGRO-ZDUSSCGKSA-N 415.309 1.675 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)C1(C(=O)N2CCN(C(=O)CC#N)CC2)CCOCC1 1465872076 BGDJTZYOLAPIOJ-HNNXBMFYSA-N 408.499 1.281 30 10 HDEE C#CCC1(O)CCN(C(=O)Nc2ccc(C(=O)N=[S@](C)(=O)N(C)C)cc2)CC1 1467095536 VVDJZAYXXLGQFH-NDEPHWFRSA-N 406.508 1.783 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)N1CCSC[C@H]1c1nn[nH]n1 1467284300 KWTDNZXOFBOMGX-STQMWFEESA-N 409.516 1.793 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)N[C@@H](CC(N)=O)c3ccccc3)C2=O)cc1 1469762080 AZTAOGSGRRSPFC-MOPGFXCFSA-N 405.458 1.970 30 10 HDEE CNCCCc1[nH]nc(NC(=O)c2c(Br)nc3n2CCOC3)c1C#N 1472482293 IXHRNZSKINJIMN-UHFFFAOYSA-N 408.260 1.175 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN(C)CCN2C(=O)c3ccccc3C2=O)c1 1473348283 QYAMTSLKEMBCAU-UHFFFAOYSA-N 404.426 1.544 30 10 HDEE N#CCC1(CS(=O)(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)CC1 1474803889 FRLFEYGHXDWPSM-UHFFFAOYSA-N 400.508 1.353 30 10 HDEE C#CCOc1ccc(F)cc1NC(=O)N[C@H]1CCCN(CCN2CCOCC2)C1 1476224095 RVKMBLLPUHEINH-SFHVURJKSA-N 404.486 1.756 30 10 HDEE C[C@H]1C(=O)N(C)CCN1c1nnc(-c2ccc(C#N)cc2)n1CCOCCN(C)C 1493171747 XISTXNUSORXVLS-INIZCTEOSA-N 411.510 1.062 30 10 HDEE CC[C@H](C)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1Cc1ccc(C#N)o1 1495655421 VJTRKCKYPPGNCS-AWEZNQCLSA-N 406.512 1.776 30 10 HDEE CN(C)C(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1503366563 BOSCQUUGLBGYFR-HOTGVXAUSA-N 410.434 1.409 30 10 HDEE COCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(C#N)c1 1504832380 YPRZYCRONFPAJA-QGZVFWFLSA-N 403.508 1.725 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(O)CCOC1 1505074558 UZEIQRZSJFNQBQ-FEHORTKBSA-N 405.499 1.284 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2CC(=O)N2CCOCC2)c1 1505313715 DYTUYZGGNUAIQU-FQEVSTJZSA-N 409.425 1.118 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](C)N(C)C1CC1 1507522058 ANKHHVCMRFAUQR-HZPDHXFCSA-N 405.510 1.861 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1507564925 ZHUJYRZDYMFJAM-ZWKOTPCHSA-N 421.567 1.651 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2CC[S@](=O)CC)CC1 1507739838 VJMDCNRIRILHJO-CQGGRAHPSA-N 421.567 1.254 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)OCC)CC1 1507739885 VWVVIYFTWWMWTP-GOSISDBHSA-N 417.554 1.953 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCOC2)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 1507868010 CVASGBDWEMLQNK-QGZVFWFLSA-N 422.961 1.669 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(C)CN(C)C2=O)CC1 1507902755 NIBGSWGTQUZEGU-BEFAXECRSA-N 407.540 1.061 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCOc1ccc(F)c(F)c1 1507967853 LQQXPVGPYRTVFS-GFCCVEGCSA-N 415.466 1.868 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCO[C@]2(CCOC2)C1 1508087505 SMDYZAZNLZCERI-OAQYLSRUSA-N 415.469 1.306 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(C(=O)c2ccccn2)CC1 1508091253 SZPVYYXCFSLVNU-UHFFFAOYSA-N 409.494 1.205 30 10 HDEE COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)c1cscc1C#N 1524976519 LHLZAEAFOPSWSW-UHFFFAOYSA-N 420.516 1.817 30 10 HDEE COC(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1534310004 JWQRADGCGBNTEJ-FZKCQIBNSA-N 404.467 1.601 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2nc(CC)ns2)CC1 1539117041 PKPZOQXLAAPEOF-CQSZACIVSA-N 414.539 1.383 30 10 HDEE C#CCN(CC#C)c1nnc(COCC)n1C[C@H](c1ccc(C)o1)N1CCOCC1 1539278390 APCQYYKQPQVQGG-LJQANCHMSA-N 411.506 1.862 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1Cc1csc([C@H](C)OC)n1 1539318781 XWOCBTKZSUTXHS-GOEBONIOSA-N 412.519 1.904 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2ccc(OCC)cc2)CC1 1539444197 IVXDVTFWAOZASS-UHFFFAOYSA-N 405.506 1.881 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCN2CCOC[C@@H]2C)CC1 1539467599 WWKISEKAEIHKPR-KRWDZBQOSA-N 416.570 1.262 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@]2(OCC)CCOC2)n1C[C@H]1NC(=O)CC1(C)C 1539541564 JAEMMHRJFQKUML-NPFVIJTESA-N 415.538 1.837 30 10 HDEE C=C(C)COCCn1c(N2CC[C@@H](C(=O)OC)C2)nnc1[C@]1(OCC)CCOC1 1539759698 KPXRAUFDVCBTAY-UZLBHIALSA-N 408.499 1.522 30 10 HDEE CN(C)CC(=O)N1CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)CC1 1540610544 CBBGRZYIEBILCR-INIZCTEOSA-N 409.531 1.196 30 10 HDEE C=CCNC(=O)Cn1c(CC2CC2)nnc1N1CCN(c2cccc(F)c2)C(=O)C1 1540874180 XQBAJRPDTIQBFM-UHFFFAOYSA-N 412.469 1.525 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N(C)OC 1540898947 ZKSYVJQANVLARO-UHFFFAOYSA-N 418.317 1.645 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N(CC)Cc1cnn(C)c1 1540902185 CJDFJGLPWWYHGR-QGZVFWFLSA-N 422.555 1.533 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C)C1 1540904613 OAGCXMJQAXDKIA-LSDHHAIUSA-N 416.569 1.017 30 10 HDEE C=CCS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCC(C(=O)OC)CC1 1540904839 OSHHDNXUKCQULT-UHFFFAOYSA-N 412.556 1.857 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@@H]2CCCS(=O)(=O)C2)C1 1543633469 ZEJHJERZYYBCEC-CQSZACIVSA-N 412.309 1.450 30 10 HDEE C#CCN(CC(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)C(=O)OC(C)(C)C 1545485665 ROGSRYPVTYFPBH-QGZVFWFLSA-N 406.527 1.012 30 10 HDEE CCc1nnc(N2CCN(c3oc(C4CC4)nc3C#N)CC2)n1CCOCCOC 1546527594 KYMRSIFOBIHFQW-UHFFFAOYSA-N 415.498 1.567 30 10 HDEE CN(C[C@H]1CCOC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(C#N)o1 1554242576 QXQGNWKILFHUNU-ZIAGYGMSSA-N 405.480 1.166 30 10 HDEE COCCCN(C)c1nnc(-c2cccc(C#N)c2)n1CCN1CCCS1(=O)=O 1555478617 UYMCFHFELGPSBO-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE C[C@H]1CN(CCN(C)c2nnc(-c3cnn(C)c3)n2Cc2ccc(C#N)o2)C[C@@H](C)O1 1555961198 LOQIOBOXHZUQFF-IYBDPMFKSA-N 424.509 1.737 30 10 HDEE CCC1(CC)CNC(=O)[C@@H]1NC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1558543635 WMLBWAMTWJHHMI-GUYCJALGSA-N 402.882 1.986 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCC(=O)Nc2ccccc2C(F)(F)F)CC1 1559717653 UJWZDFNIAKEICQ-UHFFFAOYSA-N 418.441 1.119 30 10 HDEE N#Cc1csc(CNC(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)n1 1564613976 JSDCSCJAUUGPCJ-UHFFFAOYSA-N 409.468 1.693 30 10 HDEE C#C[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccc(F)cc1 1564995596 BUHGXIOLDUTNHH-MJOCMJMXSA-N 422.478 1.698 30 10 HDEE CCS(=O)(=O)CCCNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1570339981 RJCPIZCEEQCAFK-XAUUPUKJSA-N 413.540 1.714 30 10 HDEE CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)CC1 1585211088 HLBCYMRPZNFRQD-NVXWUHKLSA-N 417.941 1.707 30 10 HDEE C#CCCCn1c(N2CC(=O)N[C@@H]3CCCC[C@H]32)nnc1[C@@]1(OC(C)C)CCOC1 1587894593 XPBYCUHMVCBPRK-JBYIUTFZSA-N 415.538 1.980 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1Cc1c(C)noc1C)[C@H]1CCS(=O)(=O)C1 1588030094 PMKBEYKTFYTZMG-HNNXBMFYSA-N 405.524 1.855 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCCCCO)[C@@H]1CCS(=O)(=O)C1 1588065095 UDGLXWDKXDEKFN-GOSISDBHSA-N 408.568 1.800 30 10 HDEE C#CCCN(CCOC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(F)c(Cl)c2)C1=O 1588074978 RFCPSXCQSWZWNA-IBGZPJMESA-N 409.845 1.744 30 10 HDEE C=C(Cl)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cnn(CCOC)c2)C1)C(=O)OCC 1588122657 RFJQPFBLIGSVLP-HIFRSBDPSA-N 412.874 1.073 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccccc1OCCN(C)C 1588128842 UICOUJORYGYCMS-IBGZPJMESA-N 420.517 1.291 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)N1CCC(C)CC1 1588138509 DWDRWKZOQYHIJJ-OALUTQOASA-N 417.579 1.373 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CC[C@H](C(N)=O)C1 1589117058 TZRUGLCJLCNBGP-AWEZNQCLSA-N 403.483 1.674 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(C)(=O)=O 1589171973 VUXSHTGKRZTOOF-HXUWFJFHSA-N 418.519 1.999 30 10 HDEE C=CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1)C1CC1 1595058443 MKDBKFUOHNYKKC-IAGOWNOFSA-N 423.539 1.111 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)CC1 1596609706 DTYLJVFINDOSNG-INIZCTEOSA-N 409.577 1.671 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H](CCOC)NC(=O)OC(C)(C)C)c1 1596681594 UIKDDMFBJSQVRZ-QGZVFWFLSA-N 403.479 1.995 30 10 HDEE CNS(=O)(=O)c1ccc(Br)c(C(=O)N[C@@H](CC#N)C(F)(F)F)c1 1596783604 ORRKGFOLQUBZFE-JTQLQIEISA-N 414.203 1.932 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)Nc1cccc(OCc2nc(N)nc(N(C)C)n2)c1 1611321573 JRLBKPJVBJMLPA-INIZCTEOSA-N 413.482 1.508 30 10 HDEE Cc1nnc(N2CCC(CN(C)C(C)C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1612565163 CEOZGUHPKFUABN-VXPUYCOJSA-N 415.542 1.670 30 10 HDEE C[C@@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1613010209 ISMMQQNLUOXDGW-QVKFZJNVSA-N 410.478 1.432 30 10 HDEE CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCc3nc(O)c(C#N)cc3C2)CC1 1615879306 OFAYSVQQPDJSAW-INIZCTEOSA-N 424.553 1.395 30 10 HDEE CCS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](COC)C1 1617312450 FABGSFBUBUWDIE-KRWDZBQOSA-N 419.507 1.103 30 10 HDEE C[C@@H](CC(=O)NCc1cc(F)c(C#N)c(F)c1)/N=C1/NS(=O)(=O)c2ccccc21 1617380510 CSTAUKCFIWYWLB-NSHDSACASA-N 418.425 1.970 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)COC)CCO1 1618688494 AYNPUQCJDQUEAG-KRWDZBQOSA-N 412.494 1.441 30 10 HDEE COCCCCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@](C)(C(N)=O)C1 1619825402 QSWMLHTWGCJVNL-NRFANRHFSA-N 412.494 1.857 30 10 HDEE COCCCN(C)c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1619831854 QSSDDNGNXXGGPS-ISLYRVAYSA-N 404.515 1.866 30 10 HDEE CON(C)c1nnc(-c2c[nH]c3ccccc23)n1CCN/C(O)=C1\N=CC=CC1=O 1620121833 AWUIESWYRDKNSW-HTXNQAPBSA-N 407.434 1.950 30 10 HDEE C=CCN(Cc1cn(CC(=O)OCC)nc1-c1cccnc1)[C@H]1CCS(=O)(=O)C1 1621167709 PCMYBPIDIOFJNA-SFHVURJKSA-N 418.519 1.683 30 10 HDEE N#Cc1ccncc1N1CCN(S(=O)(=O)c2cccc3c2OC(F)(F)O3)CC1 1622192376 FQXZJBLGXSADOR-UHFFFAOYSA-N 408.386 1.786 30 10 HDEE CCN1C(=O)CO[C@H](C(=O)Nc2cc(OC)c(C#N)cc2F)[C@H]1c1nccn1C 1623349958 PDJGXRVXAUHGEK-IRXDYDNUSA-N 401.398 1.367 30 10 HDEE COC(=O)C1(C#N)CCN(C(=O)CCC(=O)Nc2nnc(CC(C)C)s2)CC1 1623969328 HWKHGFGIMUNAOW-UHFFFAOYSA-N 407.496 1.761 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)CCCCc2ccc(OC)c(OC)c2)CC1 1627015329 ORXLZZZHNKKJGC-UHFFFAOYSA-N 415.534 1.700 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)NCCNC(=O)c2ccc(F)cc2)c1 1627169671 PEMGBVJTKUXVAS-UHFFFAOYSA-N 402.447 1.783 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2csc(N(C)c3ccccc3)n2)CC1 1628146583 LUWWZBXLISUKKW-UHFFFAOYSA-N 411.531 1.808 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)OC)s1 1628149576 ZAIDIDQLUIJBTI-INIZCTEOSA-N 422.528 1.655 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCOC[C@H]2c2cccc(F)c2)cc1 1629426908 JAMMJEKWNVRHGL-SFHVURJKSA-N 403.435 1.576 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H](S(=O)(=O)NCC)C1 1631824189 ADOLPSCAUMHZJQ-GJZGRUSLSA-N 403.545 1.776 30 10 HDEE CC1=C(C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](C)n2nnnc2N1C 1632039888 HRODWBDUUPXZNG-CQSZACIVSA-N 420.477 1.707 30 10 HDEE C=CCOc1ccc(C(F)(F)F)cc1C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O 1632875907 ACCXSXQMSZCCGU-KBXIAJHMSA-N 408.332 1.853 30 10 HDEE COC(=O)[C@](C)(CNC(=O)c1cc(S(=O)(=O)CC#N)ccc1F)c1ccccc1 1633137289 LPWMEVCAZAJQGC-HXUWFJFHSA-N 418.446 1.984 30 10 HDEE CN1CCC[C@H](N2CCN(C(=O)[C@@H](CCCC#N)NC(=O)OC(C)(C)C)CC2)C1 1633591338 FUFANQVVNSESMM-ZWKOTPCHSA-N 407.559 1.812 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@H]1C1CC1 1634244037 RPSCSIQEQBYVQB-APWZRJJASA-N 405.520 1.969 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N[C@H]1CCCCN(CC(=O)OC(C)(C)C)C1=O 1634845461 SFUJALBZRCBOPQ-RYRKJORJSA-N 409.527 1.990 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](CO)CCc3ccccc3)C2=O)cc1 1634919246 WGJVFFPCIDYDDB-RTWAWAEBSA-N 406.486 1.952 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)OCC)n[nH]2)c1C 1635351724 BEVPWSRRZJRXFD-QWHCGFSZSA-N 416.482 1.262 30 10 HDEE COC(=O)CC[C@@H](NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OC 1635851141 WUPMCBLGDMTMML-OAHLLOKOSA-N 410.467 1.248 30 10 HDEE COC(=O)C1=NO[C@@]2(CCN(C(=O)[C@H](CCCC#N)NC(=O)OC(C)(C)C)C2)C1 1635972047 ONQKICAWNBXFDT-DJJJIMSYSA-N 408.455 1.494 30 10 HDEE C=CCC1(O)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1638655808 DYFILRQHSIZQBX-UHFFFAOYSA-N 424.519 1.446 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)N1CCOc2ccccc2[C@H]1CO 1639190622 ZCJDPWXXXRZVRN-MRXNPFEDSA-N 415.471 1.070 30 10 HDEE N#Cc1ccc(F)cc1N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 1639472192 UTPVCAIFZBCOMS-UHFFFAOYSA-N 416.434 1.539 30 10 HDEE C#CCn1cc(CNC(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)cn1 1640012988 UJPRQHPGIGUDCM-LJQANCHMSA-N 417.828 1.392 30 10 HDEE Cc1cccc(C)c1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1641325001 CBILCNJLJGUGRK-UHFFFAOYSA-N 412.446 1.479 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(c2ccc(OCC)nn2)CC1 1642057119 KZJRFLUZAYQEDW-INIZCTEOSA-N 417.510 1.831 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](O)c2ccc(Cl)c(Cl)c2)C1=O 1646247092 NQPVRKKJWKTGMF-LBPRGKRZSA-N 400.218 1.120 30 10 HDEE Cn1cc([C@@H]2CCCN(CC(=O)N3CCN([C@H](C#N)c4cccs4)CC3)C2)nn1 1648592095 VZQWWLJUEILVSQ-SJLPKXTDSA-N 413.551 1.465 30 10 HDEE CC(C)[C@@H](NC1CCOCC1)C(=O)N(O)CCCN1C(=O)c2ccccc2C1=O 1649040396 CYWGYEHHQLKDEL-GOSISDBHSA-N 403.479 1.684 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)N1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 1663332866 AQRGGGVBCSWRPD-GHMZBOCLSA-N 405.373 1.729 30 10 HDEE C#CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)CCCC)cc2)cn1 1664349625 YHYCSIVFYSBWMN-UHFFFAOYSA-N 410.521 1.537 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1 1674887564 IJFOXNBVUBVPKA-MRXNPFEDSA-N 413.565 1.809 30 10 HDEE Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)N(C)C 1680958109 PNWBIAFUGXUGAB-NDUPCHFUSA-N 404.536 1.566 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCC(Oc3ccnc(C(N)=O)c3)CC1)C2 1683589424 BZJMNBYWMTVNRP-QGZVFWFLSA-N 405.458 1.772 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN2C(=O)NCC2(C#N)CCC2)CC1 1686827658 DNVFWEJPWXOUSP-INIZCTEOSA-N 419.526 1.934 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CC1(O)CCN(C(C)C)CC1 1689860719 GLIXQZIVKOQSSD-SFHVURJKSA-N 413.570 1.833 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCS(=O)(=O)C1 1689861043 MYXRIWDQMZALMW-NVXWUHKLSA-N 404.540 1.422 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C)COC 1690005775 BUWBYPXSAXATQO-MRXNPFEDSA-N 400.504 1.704 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCCN1CCOCC1 1690061124 RILIGRJDWDDPHI-OAQYLSRUSA-N 405.543 1.501 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1Cc1ccc([C@H](C)O)cc1 1690092757 VAMXWHZNKTYFNB-KRWDZBQOSA-N 411.506 1.702 30 10 HDEE C#CCSCCn1c([C@@H](C)CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1690155047 DHYCUMNGXPVOGE-KRWDZBQOSA-N 406.600 1.805 30 10 HDEE C=C(C)COCCn1c(C(=O)Nc2ccccn2)nnc1N(C)C[C@H]1CCOC1 1690299533 WASKXESHLGMGHH-MRXNPFEDSA-N 400.483 1.991 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCCOC2)nnc1N1CCC(CNS(C)(=O)=O)CC1 1690344715 XWQVYXXIBPBBCL-OAHLLOKOSA-N 417.963 1.690 30 10 HDEE C=CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CC(=O)N1CCOCC1 1690522445 ANVNIXWTZAZUKU-UHFFFAOYSA-N 407.478 1.612 30 10 HDEE C=CCN(c1nnc(Cc2cccnc2)n1CCN1CCN(C(C)=O)CC1)C1CC1 1690548994 WEXOEXKTZMSFMK-UHFFFAOYSA-N 409.538 1.583 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCN(CC(F)(F)F)CC1 1690672161 KDQCILDXZUZMTJ-UHFFFAOYSA-N 402.465 1.853 30 10 HDEE CC(C)(C)OC(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N1CCNC(=O)C1 1691266380 HOOMSUIUJZGFPK-UHFFFAOYSA-N 411.466 1.278 30 10 HDEE Cn1cc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)C[C@H]2NCC#Cc2ccccc2)cn1 1691978497 JCVGFDZTGBGUDR-ZQGJOIPISA-N 404.514 1.923 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCCN1CCOCC1 1692658834 BWONKEXMVRAMKX-MRXNPFEDSA-N 412.498 1.386 30 10 HDEE CNC(=O)CCn1c(CC2CC2)nnc1N1CCN(c2ccc(C#N)cc2F)CC1 1697005608 BNVQTFFHWCUUQH-UHFFFAOYSA-N 411.485 1.704 30 10 HDEE COC[C@@H](F)Cn1c(-c2cccn2C)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1697775239 QFKRGERQILDEQP-KRWDZBQOSA-N 424.484 1.861 30 10 HDEE C#CCCCCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1705520089 IAICGMZTVOHXBG-IBGZPJMESA-N 424.553 1.984 30 10 HDEE C#CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)NC(C)(C)C 1705531221 CFIKMJLYSMEREL-UHFFFAOYSA-N 400.483 1.770 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)nc2)n1C[C@@H]1CCCN1CCCO 1705576192 GQDCETYKPRANGK-SFHVURJKSA-N 412.925 1.913 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1CCC[C@H](O)C1 1705585414 RRHZWKRYXGMNCE-SJORKVTESA-N 411.531 1.894 30 10 HDEE C#CCN(CC)c1nnc(-c2cccn2C)n1C[C@]1(N2CCOCC2)CCSC1 1705610290 JNTXBYWRQGIZLJ-OAQYLSRUSA-N 414.579 1.951 30 10 HDEE C#CCN(CC)c1nnc(Cn2ccc3ccccc32)n1CCNS(C)(=O)=O 1705616715 FQLWDTAKJURKNJ-UHFFFAOYSA-N 400.508 1.290 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2C[C@](C)(O)c2ccsc2)CC1 1705641298 ZFWUKJZTEVGNKV-QFIPXVFZSA-N 422.558 1.988 30 10 HDEE C=C1CCN(c2nnc(Cc3ccccc3F)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 1705770237 WZVOKISYSARJMP-FQEVSTJZSA-N 420.510 1.714 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCCOC3)n2CCC(=O)N2CCOCC2)CC1 1705782550 ZCMSYFGTAYLTLI-SFHVURJKSA-N 403.527 1.823 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@H](C)N(C)C 1706792196 HFLHQHZXSWRYIZ-LSDHHAIUSA-N 418.571 1.927 30 10 HDEE CC[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1709297584 WVVFQYDPAAMHHP-RMYFCYLKSA-N 410.482 1.441 30 10 HDEE CCN(C)C(=O)Cn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1709898722 AONOLNXIMRJCBZ-PBHICJAKSA-N 416.457 1.764 30 10 HDEE CCOCCn1c(-c2ccc(C#N)cc2)nnc1N1CCCN(S(C)(=O)=O)CC1 1710823825 BWXKRPWOWIFHAW-UHFFFAOYSA-N 418.523 1.325 30 10 HDEE COc1cc(OC)cc(-c2nnc(N(C)C[C@H](C)C#N)n2CCCS(C)(=O)=O)c1 1711692609 FBHLJGXLPZAXTD-CQSZACIVSA-N 421.523 1.993 30 10 HDEE C#CCN(c1nnc(-c2ccc(C)o2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1722358964 HJJQOJZMOKJGPY-OAHLLOKOSA-N 404.492 1.510 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1COc2ccccc2O1 1722385151 BIDVHZHMSRELTF-QGZVFWFLSA-N 405.458 1.313 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)NC(C)C)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 1722418915 HVIFKJCJTKSTJT-UWJYYQICSA-N 419.526 1.231 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC2=CCCOC2)CC1 1722441321 IDAZKVKVQWOAOL-UHFFFAOYSA-N 418.501 1.831 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1 1722471721 OLVXNOJTIWKILX-WOJBJXKFSA-N 415.519 1.190 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](c2noc(C)n2)C1 1722527260 DHSVBBVLZSZPFQ-OAHLLOKOSA-N 419.486 1.278 30 10 HDEE C=CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCC2(C1)OCCO2 1722673744 CFMXKVVIVJLCQU-QGZVFWFLSA-N 419.526 1.696 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CC[C@]2(CCOC2)O1 1722677815 OCEUMCAWSNTYDE-YLJYHZDGSA-N 402.499 1.656 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1722697284 ZEHLOWZMEFLSPY-INIZCTEOSA-N 409.450 1.517 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccncc2)nnc1N1CCC[C@H](c2ccnn2C)C1 1722700612 NRYBTPYWPYXOFK-SFHVURJKSA-N 420.521 1.684 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC(=O)N(C)CC)C1 1722710772 OGRRVGZWXIXBRY-UZLBHIALSA-N 407.515 1.190 30 10 HDEE CC(C)=CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)CC#N 1723049598 DKJHDCXTRCRHGH-HOTGVXAUSA-N 410.544 1.706 30 10 HDEE CCOCc1nnc(N2CCC(C#N)CC2)n1CC[C@H](C(F)F)N1CCOCC1 1729005943 SSNHFSJCTDEMNP-MRXNPFEDSA-N 412.485 1.911 30 10 HDEE COc1ccc(-c2nnc(N3CC[C@](F)(C#N)C3)n2C[C@H]2CCS(=O)(=O)C2)cc1 1730072097 FUYNJSMJXGZHEN-KUHUBIRLSA-N 419.482 1.830 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H](C(C)C)N1CCOCC1 1740533627 HNUPNOHGBNJCGY-QZTJIDSGSA-N 402.543 1.329 30 10 HDEE C#CCCCn1c([C@@H]2CCOC2)nnc1N1CCC(N(CC)S(C)(=O)=O)CC1 1740590200 GEIKTFHGLKNISP-MRXNPFEDSA-N 409.556 1.446 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCCCS1(=O)=O 1740635301 UFVWQSAPGLNFHZ-IBGZPJMESA-N 407.499 1.857 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(F)cc2)n1CCCc1cnn(C)n1 1740644286 ZTUUNLNNHYJZJN-UHFFFAOYSA-N 407.453 1.830 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnccn2)n1CCS(C)(=O)=O 1740676422 CKHJJWAUEMSTKF-UHFFFAOYSA-N 414.466 1.559 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC2(N(C)C)Cc3ccccc3C2)CC1 1740703607 YJRPRYGXHNBHRJ-UHFFFAOYSA-N 420.561 1.652 30 10 HDEE C=CCN(c1nnc(CN2CCCC2=O)n1C[C@H](C(C)C)N1CCOCC1)C1CC1 1740912901 WLSAMMNEWDCRAG-LJQANCHMSA-N 416.570 1.912 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(S(C)(=O)=O)CC1 1740954136 CQIRJVZYVOTHPR-UHFFFAOYSA-N 407.496 1.162 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1740958800 VFDYMJFCWUPYQN-SJORKVTESA-N 404.515 1.127 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 1740959149 LOUIALJPMNFUAW-OAHLLOKOSA-N 420.514 1.188 30 10 HDEE C#CCCCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](n2nc(C)nc2C)C1 1748757571 GUWRRURVYWQXGC-GOSISDBHSA-N 410.526 1.864 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1748765804 UXELFSFZJSSXHM-VJANTYMQSA-N 404.511 1.800 30 10 HDEE C#CCN(c1nnc(CC)n1CCCN1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1748817623 NFBIGTZEKACWKN-QRVBRYPASA-N 421.611 1.835 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC(F)(F)C2)CC1 1748994048 AAEUPWIELPBKBY-MRXNPFEDSA-N 406.481 1.591 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CCN(c2cccnn2)CC1 1749232497 MTWAJZZDPBKWHC-UHFFFAOYSA-N 420.521 1.973 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCCOCC1 1749726822 GBJLHSHEFGCJGR-UHFFFAOYSA-N 420.491 1.501 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 1749754322 KJWKBCFQRARDQY-CVEARBPZSA-N 420.583 1.889 30 10 HDEE Cc1cccc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CC2(C(N)=O)CCOCC2)n1 1751613856 AJIDCLBXPQFUDN-HXUWFJFHSA-N 413.457 1.373 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC[C@H]1COCCO1 1760102773 QHICLRCRDHXIBB-RDJZCZTQSA-N 418.519 1.612 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCC(=O)N1CCCCCC1 1760165199 LVAGQJJHSSMQTN-OAQYLSRUSA-N 403.527 1.792 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC1(C)CCCC1)[C@H]1CCS(=O)(=O)C1 1760187340 CVZADDNNPUBMQT-INIZCTEOSA-N 414.535 1.942 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccnc(C(F)(F)F)c1 1760202184 VLWRMLKDCIHRNF-CQSZACIVSA-N 402.380 1.764 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1cnn(C)c1 1760213251 WCUHUYYFFBQRHN-UHFFFAOYSA-N 422.514 1.593 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CCC3)n2C[C@H]2CCC(=O)N2)n1 1760253236 XAOJSCUOMXQMJZ-QGZVFWFLSA-N 411.510 1.307 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1760327494 HTMNZKMOPUJQIS-JZXOWHBKSA-N 412.556 1.809 30 10 HDEE C=C(Cl)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1760366536 CAJXXSMRMZCNHO-BFHYXJOUSA-N 419.935 1.025 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O 1760372738 UTCOQLBBDYGRSU-UHFFFAOYSA-N 402.846 1.008 30 10 HDEE C=CCCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@@H]2CCC(=O)N[C@H]2C1 1760427870 KERBMGIMXMSMJX-XHSDSOJGSA-N 407.540 1.251 30 10 HDEE C=CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@@]1(C)CN(C)C1=O 1760461573 YUVPEIPXLPIWGL-LJQANCHMSA-N 417.539 1.339 30 10 HDEE C=CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1ccc2c[nH]nc2c1 1760464947 SGSMEGXGPMBDQU-INIZCTEOSA-N 400.508 1.921 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1ccccc1F 1760690465 CYILCFXOFQMMRP-AWEZNQCLSA-N 410.457 1.844 30 10 HDEE CC[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1763717951 SGYNIZYSGORKDX-CUWSIIEESA-N 415.498 1.020 30 10 HDEE COCCN(CCC#N)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCSC1 1769844779 DJBIKRHYPHYIEA-GJZGRUSLSA-N 413.569 1.300 30 10 HDEE COCCCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@@H](Cn2cccn2)C1 1771050719 YXWIZPABIKVFGX-LJQANCHMSA-N 407.478 1.955 30 10 HDEE C=CCN1C[C@H](C(=O)NCCCN2CCc3cc(OC)c(OC)cc3C2)CC1=O 1849995258 GHKQIYFUYWWKLO-GOSISDBHSA-N 401.507 1.603 30 10 HDEE N#Cc1ccc(=NC(=O)C2CCN(Cc3cnnn3-c3ccccc3F)CC2)[nH]c1 1850724899 WDVCETJJQWVDTP-UHFFFAOYSA-N 405.437 1.946 30 10 HDEE C=CCN(C(=O)[C@H]1CCCN(c2ccc(-c3nc(C)no3)cn2)C1)[C@@H]1CCN(C)C1=O 1850971430 CKPRKIGUWBFBPU-ZWKOTPCHSA-N 424.505 1.902 30 10 HDEE CN1CCN(c2nc(NC(=O)[C@@H]3OCCc4ccccc43)c(C#N)cc2C#N)CC1 1851777936 CGGIISHBJZWZJD-LJQANCHMSA-N 402.458 1.829 30 10 HDEE C=CCN(C(=O)c1nc2ccccn2c1I)[C@@H]1CCN(C)C1=O 1851937611 UWOOCRYPLKIFNT-LLVKDONJSA-N 424.242 1.798 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cccc(OC)c2OC)C1=O 1853827392 BMGUQTDLIFRTFH-IRXDYDNUSA-N 415.490 1.554 30 10 HDEE N#Cc1cc(C(=O)N2CCC[C@@H](N3CCN(Cc4cccnc4)CC3)C2=O)ccn1 1854152733 OVJJNXYLWNSORR-HXUWFJFHSA-N 404.474 1.297 30 10 HDEE C=CCCN1CC[C@@H](N2CCN(C(=O)CCS(=O)(=O)c3ccccc3)C(=O)C2)C1 1854256168 LKJMEOXARXPEOV-GOSISDBHSA-N 419.547 1.172 30 10 HDEE C[C@@H]1C(=O)N(C(=O)Cc2ccccc2F)CCN1S(=O)(=O)c1ccc(C#N)cc1 1854643595 PSHVVVSWWNQIOP-CQSZACIVSA-N 415.446 1.688 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCC[C@H](N4CCC5(CC4)C[C@H]5C#N)C3=O)nc2n1 1855100962 UIXBZDUACMUTOF-HOTGVXAUSA-N 407.478 1.498 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3sc(C)nc3C)C(C)(C)C2=O)CC1=O 1856096689 PJVUVYSEPHMBHK-HNNXBMFYSA-N 404.536 1.744 30 10 HDEE CCn1ccc(C(=O)N2CCC[C@H](N3CCN(c4ncccc4C#N)CC3)C2=O)n1 1856102886 NIIJTLZAVAMNHR-SFHVURJKSA-N 407.478 1.123 30 10 HDEE Cn1cc(CC(=O)N2CCN(S(=O)(=O)CC#N)C(C)(C)C2=O)c2ccccc21 1856118534 ISIWNPASAHBTQB-UHFFFAOYSA-N 402.476 1.024 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)c3cc(-c4cccnc4)nn3C)C(=O)C2)C1 1856844397 PYDRKJIYGUOMHL-SFHVURJKSA-N 408.506 1.417 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2c3c(nn2CC)CCC3)C1)[C@@H]1CCN(C)C1=O 1857264603 ZESLQDQQAOUHDS-MAUKXSAKSA-N 413.522 1.099 30 10 HDEE C=CCN1C(=O)C(NCCCN2CCOCC2)=C(c2ccccc2[N+](=O)[O-])C1=O 1863593616 IBSOFHBUXQZZLL-UHFFFAOYSA-N 400.435 1.173 30 10 HDEE CC(=O)N(CCN)C(=O)C(C)(C)NC(=O)C1CCN([C@@H](C#N)c2cccs2)CC1 1868774423 HCEQMQGRGNGRHO-INIZCTEOSA-N 419.551 1.253 30 10 HDEE C=CCOc1cn(CCc2cnc[nH]2)c(CN2CCN(C(=O)OCC)CC2)cc1=O 1870385129 JNLCTWZBAHJKLV-UHFFFAOYSA-N 415.494 1.653 30 10 HDEE C=CCOc1cn(Cc2ccccn2)c(CN2CCN(c3ncccn3)CC2)cc1=O 1870386717 ATFPYMMXZMZJPU-UHFFFAOYSA-N 418.501 1.969 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)OC)cn1CCCN1CCOCC1 1870450247 SNEBTTXNDQUGOH-UHFFFAOYSA-N 419.522 1.296 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)Nc2nccs2)n1/N=C/c1cccn1C 1874433050 AUUKXVPYHRWBKO-UFWORHAWSA-N 418.508 1.322 30 10 HDEE O=[N+]([O-])c1cc2c(cc1/C=N/n1c(SCCO)nnc1[C@@H]1CCCO1)OCCO2 1874453605 NJMVJQLZBSKMKM-SGPNVBEDSA-N 421.435 1.776 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)N1CC[C@@H](Oc2cc(C#N)ccn2)C1 1889391087 WUPKZGZPFMUKGI-HZPDHXFCSA-N 411.487 1.789 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCC(C#CCN(C)C)CC1 1891047055 YEFOAHRNUVJGBJ-GOSISDBHSA-N 422.551 1.248 30 10 HDEE C=C(I)CN1CCOC[C@@]1(CO)CNC(=O)OC(C)(C)C 1895212490 QMHNCVOZNYHBDZ-AWEZNQCLSA-N 412.268 1.523 30 10 HDEE N#CCNC(=O)C(=O)NCCCONC(=O)OCC1c2ccccc2-c2ccccc21 1957292331 DOMOCPNVFZRZIN-UHFFFAOYSA-N 422.441 1.603 30 10 HDEE N#CCN(CCC(F)(F)F)S(=O)(=O)CCCN1C(=O)c2ccccc2C1=O 1971098621 JINGTIASIHRACD-UHFFFAOYSA-N 403.382 1.780 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(Br)nnn1C 2010386414 RGICRKIXSXSSJB-SNVBAGLBSA-N 400.277 1.501 30 10 HDEE Cn1nnc(Br)c1S(=O)(=O)NC1CC(B2OC(C)(C)C(C)(C)O2)C1 2045346913 XUZAALWMXOMHAK-UHFFFAOYSA-N 421.126 1.481 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](NS(=O)(=O)CC2(C#N)CCC2)(C(=O)O)C1 2166304150 NGZJQVJLWRYQNP-KRWDZBQOSA-N 401.485 1.454 30 10 HDEE CC(C)(C)OC(=O)NCC[S@@](C)(=O)=NCCS(=O)(=O)c1cccc(C#N)c1 2174567156 CLONAIZXQLSHLT-AREMUKBSSA-N 415.537 1.954 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CC1(C)C 2174779089 FKOWAOWUYYMLQQ-OAHLLOKOSA-N 400.545 1.949 30 10 HDEE C#CCN(C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 2180103983 KCLQUFKUXQLOBY-VXGBXAGGSA-N 412.430 1.481 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2O)CC1 2195972234 UUXODXZAXCWSCV-PMACEKPBSA-N 407.474 1.457 30 10 HDEE C#CC[C@H](C)CN(C)C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC(C)(C)S1(=O)=O 2197743034 CFZDLDKRFRRKNC-GJZGRUSLSA-N 400.541 1.917 30 10 HDEE C[C@H](CNC(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1)N(C)C(=O)OC(C)(C)C 2247923100 SLMDJKXSABKYHH-CYBMUJFWSA-N 420.319 1.761 30 10 HDEE C[C@@H](C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1)N1CC(NC(=O)OC(C)(C)C)C1 2250001314 UYURLGHTSJVLQH-HNNXBMFYSA-N 421.347 1.725 30 10 HDEE CC1(C)OB(c2c[nH]nc2C(=O)NCCc2cnn(Cc3ccccc3)c2)OC1(C)C 2255834871 QSGWWLSMYZQMKP-UHFFFAOYSA-N 421.310 1.926 30 10 HDEE CC(C)(C)OC(=O)NCCOC1CCN(S(=O)(=O)N2CC[C@H](C#N)C2)CC1 2281546949 OKAHVFNMRSQCHF-CQSZACIVSA-N 402.517 1.082 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1 2282009459 PBNNQLNYFIFJDG-NSHDSACASA-N 402.347 1.338 30 10 HDEE CON([C@@H]1CCNC1)S(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282304100 GJOWRIKRWOOKKW-SNVBAGLBSA-N 422.765 1.615 30 10 HDEE Cc1cc(S(=O)(=O)N(CCCO)C2CC2)sc1B1OC(C)(C)C(C)(C)O1 2282314900 GUWZNWQHVZZBHW-UHFFFAOYSA-N 401.359 1.891 30 10 HDEE CN([C@H]1CCCSC1)S(=O)(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C 2282345119 NTSGKASEXQNBDJ-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE C[C@H]1CCN(S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C[C@@]1(C)O 2282353343 GQONHHBUGWIADK-YVEFUNNKSA-N 401.359 1.829 30 10 HDEE CCN(CC(N)=O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl 2282504481 PIZNXLWQHBVKCM-UHFFFAOYSA-N 402.709 1.135 30 10 HDEE CON(C)CCNS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282505545 FVXSWEPMJIXEOD-UHFFFAOYSA-N 404.725 1.411 30 10 HDEE CC(C)OCCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282836814 PKKCZWZXESVQRY-UHFFFAOYSA-N 404.363 1.629 30 10 HDEE CC(C)CSCCNS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)nn1C 2282856534 UNSNRKBMUDODKO-UHFFFAOYSA-N 403.379 1.387 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCCO[C@H]3CCOC3)c2)OC1(C)C 2282860387 ZETZJYYXEGPKAE-ZDUSSCGKSA-N 403.331 1.131 30 10 HDEE CO[C@@H]1COC[C@H]1N(C)S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282866291 GXTXYLXORABBIA-CHWSQXEVSA-N 403.331 1.082 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NCCNC(C)C)c1B1OC(C)(C)C(C)(C)O1 2282866488 KNVYWJOWNITUQB-UHFFFAOYSA-N 402.391 1.940 30 10 HDEE CC1(C)OB(c2cc(S(=O)(=O)NCc3cnns3)ccc2Cl)OC1(C)C 2282870616 VGUQPXOPUKWUFH-UHFFFAOYSA-N 415.733 1.969 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3NC(=O)C[C@H]3C(=O)O)c2Cl)OC1(C)C 2284487949 QKMVMMMRVHULKE-QMMMGPOBSA-N 400.649 1.031 30 10 HDEE CC(C)(C)OC(=O)N1[C@H]2CSC[C@H]1CC(O)(C(=O)C1=CCS(=O)(=O)CC1)C2 2285891865 IBACUIORGLVKCN-ZIAGYGMSSA-N 417.549 1.546 30 10 HDEE COc1cccc(C(O)=C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccccn2)c1 2296571277 SATNHUMUZPPRDZ-FQEVSTJZSA-N 423.469 1.844 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)CCCCCCN1C(=O)c2ccccc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c1ccc(OC[C@@H](O)COc2cccc3oc(-c4nn[nH]n4)cc(=O)c23)cc1 5844008 AQMBNKMVOOFSOJ-CYBMUJFWSA-N 405.370 1.663 30 10 HDEE in-man Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC#CCOc1ccccc1C(N)=O 90743974 LDSVWSKITMIHDE-UHFFFAOYSA-N 403.416 1.363 30 10 HDEE CCn1nc(C)c(S(=O)(=O)N[C@H]2CC[C@H](Oc3nccnc3C#N)CC2)c1C 238822402 CYMHDQROVAWDEP-SHTZXODSSA-N 404.496 1.850 30 10 HDEE Cc1nn(C)c(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(C#N)c2)CC1 238822640 DADAUADZSWRWKD-UHFFFAOYSA-N 401.492 1.445 30 10 HDEE CC(C)(C)OC(=O)N(c1ncc(C#N)cc1B1OC(C)(C)C(C)(C)O1)C1CNC1 309859617 HGSATVNVMBHSFE-UHFFFAOYSA-N 400.288 1.966 30 10 HDEE COc1cc(CNC(=O)c2ccccc2S(=O)(=O)CCN(C)C)ccc1C#N 427150639 RGPBZKJAXBSPNC-UHFFFAOYSA-N 401.488 1.832 30 10 HDEE COC(=O)CC1(NCc2ccc(C#N)cc2Br)CCS(=O)(=O)CC1 439277163 NVINVUNXJZMEAJ-UHFFFAOYSA-N 415.309 1.921 30 10 HDEE Cc1ccccc1-n1c(=C(C#N)C(=O)NC(C)C)sc(=Cc2ccc(C#N)o2)c1=O 440377767 IZOOLCCVAQKAPO-UHFFFAOYSA-N 418.478 1.700 30 10 HDEE Cn1cc(N2CCC[C@H](NC(=O)N3CCN(c4cccc(F)c4C#N)CC3)C2)cn1 466038568 KPCGXVOPGZBGLP-INIZCTEOSA-N 411.485 1.931 30 10 HDEE CCC1(CC)CN(CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC[S@]1=O 469538877 ZOAPLKRGINSZTJ-MUUNZHRXSA-N 407.540 1.126 30 10 HDEE CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[C@@H]1C 469884948 QVPWOYLADLQTQG-KXBFYZLASA-N 405.520 1.842 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)[C@H](Cc2cccnc2)NC(=O)c2ccccc2)C1 479873147 JVRMIEAJNWJNQY-FPOVZHCZSA-N 405.502 1.774 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](CO)c1ccc(Cl)cc1 483205617 ZIYZVMNPFRXRBL-PXAZEXFGSA-N 407.879 1.728 30 10 HDEE N#Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)CC2)cc1 507501394 NNYDZKYLERNLAM-UHFFFAOYSA-N 410.459 1.766 30 10 HDEE C=CCn1c([C@@H]2Cc3ccccc3O2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 508495033 SRHGWNCRULAPOU-SFHVURJKSA-N 405.462 1.727 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](n2ncc3ccccc32)C1 508879733 HIWDGTLMVHFAQG-GDBMZVCRSA-N 415.523 1.875 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ncnc3sccc23)CC1 509000273 JFZDJIJAHNJSEU-OAHLLOKOSA-N 413.507 1.883 30 10 HDEE CCn1nccc1C=c1sc(=C(C#N)C(=O)c2ccccc2OC)n(C2CC2)c1=O 512790545 OJTIQQPIYIUSJB-UHFFFAOYSA-N 420.494 1.856 30 10 HDEE N#C[C@@H](NC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1)c1ccc(F)cc1 518228205 TWZBKUDQRQABHZ-QGZVFWFLSA-N 423.491 1.966 30 10 HDEE Cc1ncc(S(=O)(=O)N[C@H](CN2CCCc3ccccc32)C(=O)O)cc1C#N 518659026 JZBYTYQFFURIFD-QGZVFWFLSA-N 400.460 1.446 30 10 HDEE CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 525491740 YIZLPOMXCPAMFW-NXHRZFHOSA-N 418.519 1.388 30 10 HDEE N#Cc1ccc(CSc2nnc(NC(=O)N[C@H]3CCC(=O)NC3=O)s2)cc1 541086389 DFRUWNKOVXXITP-NSHDSACASA-N 402.461 1.629 30 10 HDEE N#CCN1CCC[C@@H](CNC(=O)c2cc3c(cc2Br)NC(=O)CO3)C1 542094054 RPWHVWDFWOOJQV-NSHDSACASA-N 407.268 1.745 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@H](C)N[C@H](CC(N)=O)C1CCOCC1 543489572 CGHYYTAQTDENAT-DOTOQJQBSA-N 402.495 1.591 30 10 HDEE N#Cc1cccc(N2CCN(Cc3ccc(S(=O)(=O)N4CCCC4)o3)CC2)n1 544881401 GLYIFLTUYOQZON-UHFFFAOYSA-N 401.492 1.653 30 10 HDEE COC(=O)c1cc(F)ccc1S(=O)(=O)N1CCN(c2cccc(C#N)n2)CC1 546178484 DOSZMFSVFVXAOE-UHFFFAOYSA-N 404.423 1.390 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCC(C#N)(c2ccccn2)CC1 554303189 SJQOJHZNBZJWID-MRXNPFEDSA-N 405.524 1.462 30 10 HDEE CCNC(=O)C[C@@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1 557171562 BEEVGDWMUOLIDK-INIZCTEOSA-N 406.508 1.399 30 10 HDEE N#Cc1ccc(O[C@@H]2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@H]43)C2)nc1 557474069 GCNJJWYQEDXEBC-OAFZBRQQSA-N 415.519 1.659 30 10 HDEE Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2ccccc2C#N)CC1 603557466 NDDYUYUVPOMXIJ-OAHLLOKOSA-N 418.475 1.464 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)c(F)c1 609233372 GKJGUOQCRFDVOD-UHFFFAOYSA-N 409.464 1.617 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cn3cccnc3=O)c2)c(F)c1 609255791 LOFUJCPPSVJARN-UHFFFAOYSA-N 405.389 1.557 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)NCc1ccc(C#N)c(Cl)c1 619826544 BCIAALYJMBVJEA-FPCVCCKLSA-N 405.838 1.846 30 10 HDEE Cc1ccc(C)c(C=c2sc(=C(C#N)C(=O)C3CCC3)n(CC(=O)N(C)C)c2=O)c1 623010589 CPANIOCSBBKRKF-UHFFFAOYSA-N 423.538 1.487 30 10 HDEE C=C(Br)CS(=O)(=O)Nc1c(C)cc(S(N)(=O)=O)cc1Cl 704607015 JQJFMMNBSDVLTA-UHFFFAOYSA-N 403.707 1.946 30 10 HDEE CC(C)CC(=O)C(C#N)=c1sc(=Cc2cnn(C)c2)c(=O)n1Cc1ccccc1 726178474 JNBYKXYJDFOSCU-UHFFFAOYSA-N 406.511 1.810 30 10 HDEE N#Cc1cnn(-c2ccccc2)c1NC(=O)COC(=O)c1ccccc1OCCO 727000732 BNAWSPBCYADIJF-UHFFFAOYSA-N 406.398 1.911 30 10 HDEE COCCCNC(=O)[C@H](C#N)C(=O)C1CCN(C(=O)N(C)Cc2ccccc2)CC1 727628599 VDWGQFWZMJONQJ-LJQANCHMSA-N 414.506 1.812 30 10 HDEE CN(C)CCNC(=O)C[C@H]1S/C(=N\CCc2ccccn2)N(CC2CCC2)C1=O 730143431 BOBGHIMHKOGWKD-GOTYSUTNSA-N 417.579 1.792 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)CCC(=O)N3CCOc4ccccc43)CC2)nc1 730279178 KHMIXRBNLZWDLE-UHFFFAOYSA-N 405.458 1.808 30 10 HDEE CCOc1cc(C#N)cc(Br)c1OCC(=O)NCC[S@@](=O)CC 733964259 LKTFUWZSPPETGH-QHCPKHFHSA-N 403.298 1.983 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)cc1 756136765 VBQHQJQSOANUCL-OAHLLOKOSA-N 409.471 1.670 30 10 HDEE C[C@H](NC(=O)C/N=C1/NS(=O)(=O)c2ccccc21)c1ccccc1-n1cccn1 759878643 BUFDXKJSILUAJR-AWEZNQCLSA-N 409.471 1.788 30 10 HDEE CC(Cn1ccccc1=O)=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1 761810641 PQKJCHSBAHYSEC-UHFFFAOYSA-N 404.477 1.989 30 10 HDEE N#CC(C#N)=c1sc(=Cc2nc3ccc(F)cc3s2)c(=O)n1C[C@H]1CCCO1 762991336 QZIXYGWGLWAUKU-CYBMUJFWSA-N 412.471 1.864 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H](CC(=O)NS(=O)(=O)Cc2ccccc2C#N)C1 766235123 XIOCOJCTRCRMLB-MRXNPFEDSA-N 423.491 1.530 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)c1 768073044 UAAFXRMXGDNZRP-QGZVFWFLSA-N 415.519 1.039 30 10 HDEE C#CCN(C(=O)C[C@@H]1NC(=O)NC1=O)[C@H]1CCOc2ccc(Br)cc21 773380170 BSMTZMKIWSMQGG-STQMWFEESA-N 406.236 1.333 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@H]2CCCC23OCCO3)c1 773820962 FHTHZMUWOVLMBT-ZKCWRFQVSA-N 407.492 1.981 30 10 HDEE C[C@@H](NC(=O)CNC(=O)COC(=O)[C@@H](O)c1ccc(C#N)cc1)c1ccc(F)cc1 784615219 UPNUVLLYZHACIQ-XCLFUZPHSA-N 413.405 1.268 30 10 HDEE CCC(CC)[C@H](CNC(=O)C(=O)NCc1ccc(OC)c(C#N)c1)N1CCOCC1 786595028 BNCVZGFSPZZESL-IBGZPJMESA-N 416.522 1.436 30 10 HDEE COC(=O)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(C#N)cc2C)s1 787015253 FFQALBHKRJPUEI-UHFFFAOYSA-N 407.473 1.945 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 796896440 GVRPIWPZVKWVNW-FOLVSLTJSA-N 405.476 1.785 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)CC1 809564582 ZMXLHCBMGCMSSL-FHWLQOOXSA-N 421.586 1.914 30 10 HDEE C=CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C(C)=O)CC1 809917016 BGLLVTUEEZXSJJ-MRXNPFEDSA-N 420.514 1.441 30 10 HDEE C=CCn1cc(C=NNc2nc(SCCC(=O)Nc3nncs3)n[nH]2)cn1 1084321634 UVJYTFNPPGOOQY-UHFFFAOYSA-N 404.485 1.606 30 10 HDEE COc1ccc(O)c(C=NNc2nnc(SCC(=O)Nc3ccccn3)n2N)c1 1084360332 AFGFRRBBHRVAKF-UHFFFAOYSA-N 414.451 1.278 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)C(=O)[C@@H]2CCO[C@H]2CNC(=O)OC(C)(C)C)c1 1125187607 QXFMZSHWXMNNQK-MSOLQXFVSA-N 415.490 1.995 30 10 HDEE C#Cc1cccc(NC(=O)CNC(=O)c2cc(I)nn2C)c1 1125222566 QVKYWBAQLPGJLY-UHFFFAOYSA-N 408.199 1.375 30 10 HDEE C#CCN(C(=O)[C@H]1CC[C@@H](C(N)=O)O1)[C@@H]1CCOc2ccc(Br)cc21 1126228146 FYMSTAALIVFIBO-VNQPRFMTSA-N 407.264 1.767 30 10 HDEE Cc1ccc2n[nH]cc2c1C(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1136149737 WRNJXZLIUAGQDM-UHFFFAOYSA-N 409.471 1.890 30 10 HDEE C#CC[C@@H](NC(=O)c1cc(Br)nn1-c1ncccc1Cl)C(=O)OC 1141998233 LUNULPGHEASGFS-SNVBAGLBSA-N 411.643 1.978 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)[C@H]2CCCN(CC(=O)OC(C)(C)C)C2=O)CC1 1143458200 MXQXPYWAIOWDEP-IAGOWNOFSA-N 406.527 1.259 30 10 HDEE C=CCOc1cccnc1C(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 1158427930 WHMKNWXBHXFECW-AWEZNQCLSA-N 416.478 1.596 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2cc(SCc3ccccc3)ncn2)CC1 1163989818 HGHFRVZCDJIBGS-UHFFFAOYSA-N 403.533 1.359 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N3CCN(CCC#N)CC3)C2)C1 1171874572 KBDPVXSWZMBJTF-BATSVXPKSA-N 401.511 1.831 30 10 HDEE C#CCN1CCN(C(=O)CN2CCC[C@H](C)[C@H]2CCNC(=O)OC(C)(C)C)CC1 1195778074 OOIMBFJMSQOBFK-RBUKOAKNSA-N 406.571 1.779 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H](C)C(=O)OC(C)C)c(C#N)cn1CCOC 1203096810 BDFJLDHPLAHOPC-ZDUSSCGKSA-N 408.455 1.892 30 10 HDEE COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)Nc2ccc(C#N)cn2)cc1 1208019925 BWAYEUHCVDIALA-UHFFFAOYSA-N 402.432 1.363 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 1224991324 BCUNXXBWQYHFCR-XLIONFOSSA-N 405.520 1.915 30 10 HDEE C#CCN(C)CCCNC(=O)N1CCN(C(=O)[C@H](C)Oc2cccc(C)c2)CC1 1251529113 XMPNLEDRPCPETK-IBGZPJMESA-N 400.523 1.571 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1 1251708503 SBTDKCRNMDJEPK-UHFFFAOYSA-N 422.327 1.769 30 10 HDEE C#CCSCC(=O)N(CC(C)C)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1264109731 ZFBWOUANEKFIBO-UHFFFAOYSA-N 400.504 1.935 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CC(=O)N(C)C[C@@H]1C 1286356788 VJYPXXYYUASTBF-AWEZNQCLSA-N 400.508 1.350 30 10 HDEE C#CCN(c1nnc(C(=O)N2CCCC2)n1CC(C)(C)CC)[C@H]1CCS(=O)(=O)C1 1286379799 CFZZOGMVCMSJOC-INIZCTEOSA-N 421.567 1.577 30 10 HDEE C#CCN(c1nnc(CC)n1CC[S@@](=O)C(C)(C)C)[C@H]1CCS(=O)(=O)C1 1286391020 BIGNZSDJFPHSCC-HWRSSNJWSA-N 400.570 1.014 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2CCC2(COC)CCC2)CC1 1286483212 CBYPMFFFVQUVKL-UHFFFAOYSA-N 414.554 1.363 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N1C[C@H](C)O[C@@H](C2CC2)C1 1286789602 GFMWAXQERYDPKZ-FUHWJXTLSA-N 413.526 1.446 30 10 HDEE C#CC[C@H](NC(=O)Cc1csc(NC(=O)c2cc(C)ccc2O)n1)C(=O)OC 1299179428 YJCYQTYTFZVXDW-AWEZNQCLSA-N 401.444 1.633 30 10 HDEE CCOC(=O)CON=C(C(=O)N1C[C@H](C(=O)OC(C)(C)C)CC[C@@H]1C)c1cc[nH]n1 1299616534 LEOVQOFASMGMCI-UONOGXRCSA-N 422.482 1.662 30 10 HDEE C#C[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 1299868865 ALSBEZKVHPWUEZ-NEWSRXKRSA-N 402.447 1.440 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@]1(O)CCOC1 1300329895 STWFFMQANZIQLM-GXYOHSSGSA-N 419.526 1.658 30 10 HDEE C#CCCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@H](C(N)=O)C1 1300361611 HQSZMSNHENFRSX-SFHVURJKSA-N 422.537 1.567 30 10 HDEE C#CCCCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN2C(=O)NC[C@H]2C1 1300428800 OJUSYJOQXNFWSB-GVDBMIGSSA-N 400.527 1.824 30 10 HDEE C#CCN(c1nnc(C)n1Cc1nnc(C(C)(C)C)s1)[C@@H]1CCS(=O)(=O)C1 1300483458 KAFNNNMXHVYLSG-CYBMUJFWSA-N 408.553 1.411 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1=CCCCC1)[C@@H]1CCS(=O)(=O)C1 1300491977 KLRQRNBVXGTPRN-IAGOWNOFSA-N 417.535 1.356 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC 1300884857 MHYITSJOTFEOQX-OAGGEKHMSA-N 413.544 1.048 30 10 HDEE CNC(=O)NC[C@H]1CN(C(=O)C2CCN(c3ccc(C#N)cc3F)CC2)CCO1 1300951196 QFHMZKOVBLMCJI-INIZCTEOSA-N 403.458 1.070 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1C[C@H](CC)O[C@H](C)C1 1301578484 BYGAIKJUCGEQCJ-ZBFHGGJFSA-N 408.528 1.283 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)CC(=O)NC(C)C 1301585219 IRHXMIBBWSZNHT-HNNXBMFYSA-N 413.544 1.081 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)CC(=O)N1C 1305147729 FDSUHSYGOUECOG-FHLIZLRMSA-N 410.478 1.024 30 10 HDEE CCc1nc(C)c(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@](F)(C#N)C2)o1 1306009077 CQCDAKVSYMBTSA-ACJLOTCBSA-N 422.486 1.529 30 10 HDEE C#CCOCCN(C)C(=O)C1CCN(S(=O)(=O)c2cccc(C(C)=O)c2)CC1 1306015803 PMLZWEJXPRSHCW-UHFFFAOYSA-N 406.504 1.398 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2cccc(C#N)c2)nnc1N(C)C1[C@@H]2CCC[C@@H]12 1314558731 LWIAJOHOGZNLOU-IAGOWNOFSA-N 414.535 1.991 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN(C)S(=O)(=O)c3ccc(C)cc3)n2C)C1 1322675839 UEINWVSOXHJKKB-MRXNPFEDSA-N 405.524 1.726 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)[C@H]2CNC(=O)c3ccccc32)c1 1351602588 ZKPPJIVGLDGERN-NRFANRHFSA-N 417.465 1.387 30 10 HDEE CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)n1 1353333019 XBTSTTYCBZYKRS-OAHLLOKOSA-N 418.906 1.989 30 10 HDEE C=C(C)C[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2ccc(OC)c(OC)c2)CC1 1357596409 GPMNBADLSSXAQJ-KRWDZBQOSA-N 403.479 1.459 30 10 HDEE C#CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)CC1 1358920139 SYNUGTQAFKFAFI-KRWDZBQOSA-N 422.599 1.756 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@H]1CCN(C2CC2)C1)[C@H]1CCS(=O)(=O)C1 1358964294 XBQQDPVGTWJQLT-HKUYNNGSSA-N 419.595 1.588 30 10 HDEE C#CCN(CC)c1nnc(-c2cnn(C)c2)n1CCS(=O)(=O)Cc1ccccc1 1359006871 LZOLIMGVOQGNGW-UHFFFAOYSA-N 412.519 1.753 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1Cc1ncn(C)n1 1359019617 AEEAVHMSJMETFC-UHFFFAOYSA-N 419.287 1.299 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CCN(CC)CC1 1359024114 FJZHNQYJZFEFML-VQTJNVASSA-N 418.586 1.632 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C)[C@H]1CC 1359150762 GFEBZKATFYZLQV-CFVMTHIKSA-N 417.963 1.988 30 10 HDEE C=CCCCn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 1359221772 MVIXTLZGIMBBQN-GOSISDBHSA-N 418.542 1.077 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3ccncc3)n2CCC2(O)CCOCC2)C1 1359322776 BUUDNPCWHXIUSZ-IBGZPJMESA-N 413.522 1.977 30 10 HDEE C=CCSCCn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)COC)CC1 1359343057 LEOPQUDDCIJWQJ-INIZCTEOSA-N 409.556 1.386 30 10 HDEE C=CCN(C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)[C@H](C)COC 1437607102 NSPIESTXYGJPDX-OAHLLOKOSA-N 404.467 1.926 30 10 HDEE Cc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)N2CCN(C(=O)CC#N)CC2)cc1 1445694380 UIIDRFASYODUNC-IBGZPJMESA-N 413.522 1.793 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CC3(CC(OC)(OC)C3)[C@H]2C(C)C)cc1 1452557188 IULAVVAXQVHBKF-GOSISDBHSA-N 420.531 1.848 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC[C@H](O)C(F)(F)C1 1453034393 IELGQRFZPGVHDZ-HNNXBMFYSA-N 415.462 1.514 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@H]2CCCN(CC3CC3)C2)s1 1454128673 AWLKMVWOBFIPAM-MRXNPFEDSA-N 411.593 1.993 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)C1 1455706937 WIQIYXVPAVFRRZ-SJLPKXTDSA-N 407.511 1.440 30 10 HDEE CS(=O)(=O)NC[C@@H]1COCCN1C(=O)c1ccc(COc2ccc(C#N)cc2)o1 1461962465 MYKVSRIXDCLWET-OAHLLOKOSA-N 419.459 1.120 30 10 HDEE C=CCC[C@@H](NS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1)C(=O)OCC 1463732949 UQMYVBVYTVGSRE-QGZVFWFLSA-N 410.492 1.825 30 10 HDEE N#Cc1cn(CC(=O)NCCCCN2CCC(Cc3ccccc3)CC2)c(=O)nc1O 1464850388 UVIGGASLMKRGMF-UHFFFAOYSA-N 423.517 1.672 30 10 HDEE C#CCOc1ccc(C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc1 1470184199 FKICFDQCBQAZRR-NRFANRHFSA-N 404.463 1.427 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@H](CCSC)NS(=O)(=O)c2ccc(C)cc2)C1 1471832496 FECBFWRRFSRFFS-HKUYNNGSSA-N 423.604 1.609 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1472011411 FTEBFJPRWHGGLB-LKXWOGMASA-N 406.483 1.713 30 10 HDEE C[C@H](NC(=O)CNS(=O)(=O)c1cccc(C#N)c1)c1cnn(CC2CCC2)c1 1472631629 BPLQKTMMNLGASI-AWEZNQCLSA-N 401.492 1.711 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCO[C@H](c2ccc(C#N)cc2)C1)S(C)(=O)=O 1473838786 LJWGTLKYLWYFEF-IBGZPJMESA-N 422.551 1.108 30 10 HDEE C#CC[C@H](CO)NC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2C)c1 1476026397 QSLCPMUVTYFUSO-USCXLKSCSA-N 406.508 1.785 30 10 HDEE CC#CCCNC(=O)N1CC[C@@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1478463928 SBFIYTWCDNPKPK-OAGGEKHMSA-N 406.483 1.624 30 10 HDEE CC[C@@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1499550687 HWSZGPFYNDKNQB-ZFDMEJTGSA-N 415.498 1.179 30 10 HDEE CCNC(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N(C)C[C@@H](C)C#N)c1 1502416937 BATGSTXNXSOWLU-YOEHRIQHSA-N 409.494 1.623 30 10 HDEE COc1ccc(Cn2c(-c3ccc(C#N)cc3)nnc2N2CCN(C)C(=O)[C@H]2C)cn1 1504265250 GAWUJJSQPAIVNA-OAHLLOKOSA-N 417.473 1.936 30 10 HDEE CO[C@@H]1CCCN(c2nnc(-c3ccccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1504482112 AJSQIBNHRGKXGV-MEUCICPISA-N 423.477 1.482 30 10 HDEE COCCCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1504790247 ZZVQOGJSYFLOSI-CRAIPNDOSA-N 412.560 1.835 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccc(OCCO)c(OC)c1 1507610618 HSGPBZMZLKRTQX-QGZVFWFLSA-N 400.479 1.670 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2CCCn2nc(C)cc2C)CC1 1507724091 GKGRZYUOOQQRQP-UHFFFAOYSA-N 418.549 1.923 30 10 HDEE C=C(C)COCCn1c(-c2cccn2C)nnc1N1CC[C@@]2(CCS(=O)(=O)C2)C1 1507840553 QWLJIVKHGIPXHG-HXUWFJFHSA-N 419.551 1.891 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1508077637 ZIOTYQKBKIVIMO-WMZOPIPTSA-N 410.522 1.789 30 10 HDEE C=CCOc1ccc(Cn2c(C)nnc2N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 1508095995 AHMFMTBQHBOKIC-KRWDZBQOSA-N 424.549 1.989 30 10 HDEE C[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)[C@H]1C 1512331036 DPXRKLBUVNEYTH-IRXDYDNUSA-N 424.505 1.822 30 10 HDEE CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(C)n1CCN/C(O)=C1\N=CC=CC1=O 1515472555 MUXFFGNKSYCYTO-GEXZYOHASA-N 424.505 1.981 30 10 HDEE COCC[C@](C)(O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@]2(CNC(=O)C2)C1 1518959098 GZOFRCAVWPUFTI-FCHUYYIVSA-N 424.505 1.321 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCNC(=O)c2ccco2)C1 1521062818 JYZTVBRKYGTOMX-KUHUBIRLSA-N 402.430 1.637 30 10 HDEE N#Cc1c(NC(=O)CCN2C(=O)[C@H]3[C@H](C2=O)[C@H]2CC[C@H]3O2)cccc1OC(F)(F)F 1525108858 BGRMRCISXVIZIK-RRCSTGOVSA-N 423.347 1.948 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H]2COCCN2C(=O)OCc2ccccc2)C1=O 1530490335 IOPKWDDHAFVIDT-ROUUACIJSA-N 401.463 1.269 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](c2ccc(OC)cc2)C(F)(F)F)C1=O 1533387597 FJQDVRRSRBMQKI-CYBMUJFWSA-N 400.309 1.819 30 10 HDEE COc1ccc(CC(=O)N[C@@H](C#N)C2CCCC2)cc1S(=O)(=O)N1CCOCC1 1536798346 RWSLNGZFZNMUGD-KRWDZBQOSA-N 421.519 1.457 30 10 HDEE COc1ccc(Oc2ccc(C(=O)N3C[C@H]4CS(=O)(=O)C[C@]4(C#N)C3)nc2)cc1 1538539672 KVEHDNWKCVELKX-XOBRGWDASA-N 413.455 1.893 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(CC(=O)N(C)C)CC1 1538988634 KSCDEMROCNMUDI-AWEZNQCLSA-N 402.923 1.255 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(OC)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1539279179 XFEDAETZXLWUMD-IBGZPJMESA-N 421.501 1.853 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2C)n1CCNC(=O)c1cc[nH]n1 1539311673 WGYSZYZOWJLCAS-UHFFFAOYSA-N 401.474 1.870 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC[S@](=O)CC)CC1 1539444442 OHSBDDIHFRRCFH-MUUNZHRXSA-N 401.536 1.478 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC2CCN(CC)CC2)CC1 1539446058 PGGWUULWRLOLRV-IBGZPJMESA-N 413.570 1.106 30 10 HDEE C#CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCNC(=O)C(C)C 1539490303 UWYFUHNYIUNUDP-UHFFFAOYSA-N 406.556 1.089 30 10 HDEE C#CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1539491930 YFXVRLFFUASJKO-CQSZACIVSA-N 413.507 1.007 30 10 HDEE C#CCSCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCSC[C@@H]1C 1539517866 SWHUFIDOJBQILH-UONOGXRCSA-N 400.595 1.488 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC)C1 1539612299 KLTCXYAALGGTFS-ULQDDVLXSA-N 418.542 1.360 30 10 HDEE C=CCCOCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](c2ccnn2C)C1 1540034030 UGNVSWKSSWTHCP-IRXDYDNUSA-N 413.526 1.939 30 10 HDEE C=CCNC(=O)Cn1c(CCOc2ccccc2)nnc1N1CC[C@]2(CCOC2)C1 1540874197 YALLKVDTUHEAFG-QFIPXVFZSA-N 411.506 1.819 30 10 HDEE COC(=O)CCNC(=O)CCNC(=O)c1cccc(COc2ccccc2C#N)c1 1544023877 PWLZEFAXMWFWAU-UHFFFAOYSA-N 409.442 1.936 30 10 HDEE C=CCCn1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)OCC)nn1 1545100036 LJIMOVBJVFTFBA-HNNXBMFYSA-N 407.471 1.479 30 10 HDEE CCCNC(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1547250181 AXPBKNKNYAOHKI-IAGOWNOFSA-N 407.478 1.058 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@]1(CO)COCC2(CCC2)N1C 1557540314 XXWYLCNDTVDGDC-HRAATJIYSA-N 409.527 1.025 30 10 HDEE COc1cc(C#N)ccc1OCCCC(=O)N(C)CCc1nc(O)c(C)c(O)n1 1558533157 ZWFSKOWOAIJSHO-UHFFFAOYSA-N 400.435 1.937 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)CC[C@@H]2CC[C@@H](C3OCCO3)O2)C1 1558962990 SMARVBWIUJOYIC-JONQDZQNSA-N 409.483 1.562 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NC[C@]23OCCC[C@H]2C3(F)F)C1 1564531669 WRCAOYXREIZZAB-ZBYUQBLASA-N 400.426 1.859 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CCNC(=O)N2CCC[C@H](C#N)C2)C1 1565335210 RMXNKJYXKSQDOB-HUUCEWRRSA-N 414.528 1.356 30 10 HDEE CCN1C(=O)[C@@H]2CN(C(=O)COc3ccc(C#N)c(Br)c3)CCN2C1=O 1566237867 PMYKVONJNPACIK-AWEZNQCLSA-N 421.251 1.194 30 10 HDEE CCOC(=O)C1(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CCOCC1 1567388093 OJJCMEAJBYYZLN-GJZGRUSLSA-N 409.483 1.612 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCO[C@@H](c2cccnc2)C1 1585794133 AVODAFHDQVOWHI-GDBMZVCRSA-N 400.460 1.157 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cccc(C)n2)n1CCc1ccc(S(N)(=O)=O)cc1 1587620151 AJFHIDKDLPHPSB-MRXNPFEDSA-N 424.530 1.997 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CCCN1CCC[C@@H]1C(=O)N(C)C 1587652044 TWIDKNIEPDFDPI-UYAOXDASSA-N 423.565 1.665 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](CC(=O)OC)c1cccc(C)c1)c1cc[nH]n1 1588056201 QHLGSTCXGVFRRK-INIZCTEOSA-N 416.434 1.423 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@H](COC)OC)[C@H]1CCS(=O)(=O)C1 1588060067 YTIQOCAGGRUFOV-JKSUJKDBSA-N 412.556 1.155 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2OC)n1CCN1CCOC[C@H]1C 1588166587 KXMFPHFLEYWJGK-LJQANCHMSA-N 423.517 1.659 30 10 HDEE N#Cc1ccc(N2CCC(C(=O)N3CC[C@@H]4CS(=O)(=O)C[C@@H]4C3)CC2)c(F)c1 1594790015 IXPGYVXFOJLNJR-SJORKVTESA-N 405.495 1.807 30 10 HDEE C=CCN(CC=C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCCN(C(C)=O)C1 1595228380 AKPAONQTKQKJFI-GOSISDBHSA-N 400.527 1.837 30 10 HDEE C=CCNC(=O)Cn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CCOC)CC1 1595529976 OLSGWESTHMYCJM-UHFFFAOYSA-N 423.521 1.497 30 10 HDEE C=CCNC(=O)Cn1c(N(C)CCC(F)(F)F)nnc1[C@@]1(OCC)CCOC1 1595593746 ILFOKASKQDDVOQ-MRXNPFEDSA-N 405.421 1.621 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H]1CCOC1 1595823931 UAEQAGNCBPVNKD-KRWDZBQOSA-N 422.555 1.213 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CN2CCCC2=O)n1CC(C)(C)N1CCOCC1 1596840582 FFAWZYNPNZWCPC-MRXNPFEDSA-N 403.531 1.107 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC[C@](C)(C#N)C2)n1CCCOC[C@H]1CCOC1 1608474124 NMDIRJZXTFSTTL-DYESRHJHSA-N 418.542 1.990 30 10 HDEE COCCNc1nc(CC(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)cs1 1611246015 UBRDNUFNLIVOKD-OCCSQVGLSA-N 409.512 1.619 30 10 HDEE N#CCCNC(=O)[C@@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1618218592 HYKIRJSPDXHBAQ-LJQANCHMSA-N 406.442 1.799 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 1618453521 RRIKAGWVACRHGI-HUUCEWRRSA-N 415.918 1.872 30 10 HDEE C[C@@H]1CCO[C@@H]1Cn1c(COc2ccc(C#N)cc2)nnc1N1CCC(C(N)=O)CC1 1620303356 NFCRRGMMIYHBHB-DNVCBOLYSA-N 424.505 1.855 30 10 HDEE N#Cc1cccc(-c2nnc(N3CC[C@H]4CCNC(=O)[C@H]4C3)n2CCOCCCO)c1 1620349632 QAJPCKUFQBCHHR-MJGOQNOKSA-N 424.505 1.178 30 10 HDEE COC(=O)Cn1nc(C)c(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)c1C 1624431501 FNODHHGCNJZPSA-UHFFFAOYSA-N 422.438 1.039 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(S(=O)(=O)NC)CC1 1628682749 NZRQCGWTVXHMJO-HNNXBMFYSA-N 403.545 1.776 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]1(CO)COCCN1C(=O)COc1cccc(C#N)c1 1629539977 MCGBISCRWBDFGW-HXUWFJFHSA-N 405.451 1.052 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1631455864 AGLWSYYXNLCCBK-WOJBJXKFSA-N 405.458 1.614 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(CN2CCN(C)CC2)CC1 1632707774 KTLRMYHFKVLCEE-LJQANCHMSA-N 406.571 1.779 30 10 HDEE CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)C1(c2ccc(C#N)cc2)CCCC1 1633997771 YBDADBXINQBCJV-SFHVURJKSA-N 413.474 1.277 30 10 HDEE C=CC1(CC(=O)N2CCC[C@@H]2C[C@@]2(C)NC(=O)NC2=O)CN(C(=O)OC(C)(C)C)C1 1636336885 SHMNZJPNFUNTIJ-JLTOFOAXSA-N 420.510 1.779 30 10 HDEE C=CCC[C@@H](CO)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(C(C)=O)cc1 1636469316 LOJNWZKQDVJLMR-PKOBYXMFSA-N 408.520 1.876 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 1638015289 LJSQZOYOTXOUJX-CABCVRRESA-N 419.482 1.535 30 10 HDEE CN1C(=O)[C@H](O)[C@H](C(=O)Nc2ccc(Br)c(C#N)c2)[C@H]1c1cnn(C)c1 1639394352 JCHRKWIFXHHGKN-RBSFLKMASA-N 418.251 1.183 30 10 HDEE CC(C)(C)OC(=O)Cn1cccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)c1=O 1641584280 DTBSTGSUKAHQHF-UHFFFAOYSA-N 408.458 1.998 30 10 HDEE CNS(=O)(=O)C[C@H]1CCCN(C(=O)c2cc(C3CC3)nc(SC)c2C#N)C1 1642980840 QPIZBXOGZHMKEC-LBPRGKRZSA-N 408.549 1.954 30 10 HDEE C#CCN1CCC(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1 1644947738 IADNLIMSPASLJX-SFHVURJKSA-N 403.548 1.610 30 10 HDEE C=C1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2I)C1 1645280197 MBOULNYAXXRZEW-UHFFFAOYSA-N 406.245 1.554 30 10 HDEE C=CCOc1ccc(CC(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)cc1 1645564342 PRHCXEZDHVGNQB-QFIPXVFZSA-N 420.506 1.909 30 10 HDEE CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NCc1nc(C#N)cs1 1645703342 XEICSWIJGMTTDD-OAHLLOKOSA-N 404.517 1.948 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1C[C@H]2CN(C)C[C@@]2(C)C1 1645792992 ZTXGZSXVHSGVPE-CEQIKUNHSA-N 418.563 1.694 30 10 HDEE C#CC[C@@H]1CCN(CC(=O)N(CC)c2c(O)nc(=O)n(Cc3ccccc3)c2N)C1 1654762174 BTGHEDSDDFJNBW-MRXNPFEDSA-N 409.490 1.278 30 10 HDEE C#Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1 1666297438 PPFMCCLMBDOFEG-UHFFFAOYSA-N 414.483 1.832 30 10 HDEE C#C[C@H]1CC[C@H](NC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)CC1 1678669211 IHWCBQOXVRZYJR-UAPYVXQJSA-N 418.563 1.614 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(Cc2ccc(Br)cc2)C(=O)C1)[C@@H]1CCCO1 1681593890 VDYWPXVKZSTCQW-SJORKVTESA-N 420.307 1.984 30 10 HDEE CSc1ccc(CNC(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)cc1C#N 1683674003 IKRRPSOKIKVIDR-IBGZPJMESA-N 417.579 1.876 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@H](NC(=O)N3CCO[C@@](C)(C#N)C3)c3nccn32)C1 1685543351 JDLUTUVBXZXHOZ-LIRRHRJNSA-N 416.482 1.598 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCC(=O)N(C)C 1689839709 LBBAEUANBUSYDC-HNNXBMFYSA-N 407.482 1.247 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cccc(C2OCCO2)c1 1689946598 SXFZFIAMZAIMED-CQSZACIVSA-N 419.507 1.051 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN1CCc2ccccc2C1 1689966373 QAVUNGCZKXMZSC-IBGZPJMESA-N 413.547 1.308 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1C[C@H]1CCSC1)[C@@H]1CCS(=O)(=O)C1 1689985814 CCZZENFOFNLONR-HZPDHXFCSA-N 417.560 1.720 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@@](C)(O)c1ccsc1)[C@@H]1CCS(=O)(=O)C1 1689991897 DRSWCDITIABOLA-CRAIPNDOSA-N 408.549 1.436 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1CCN(C2CC2)CC1 1690019426 IKNRQEYWTCYJIG-SFHVURJKSA-N 415.563 1.127 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(OC)cc3)n2CCc2n[nH]c(C)n2)CC1 1690117723 SQHNPZVAYYJTSO-UHFFFAOYSA-N 406.494 1.378 30 10 HDEE C#CCSCCn1c(COc2ccccc2F)nnc1N1CCNC(=O)CC1 1690184857 PACJNNIVXPDSGT-UHFFFAOYSA-N 403.483 1.689 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@]2(OC(C)C)CCOC2)n1CCOCCOC 1690196096 XYNWIAZPQJWWRG-RTWAWAEBSA-N 406.527 1.974 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)CCNC(=O)C(C)C 1690243053 GTFNSEYGCLHUFH-FUHWJXTLSA-N 415.542 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@@H]1C 1690249376 XLSCJCHRXMPZGK-FIKGOQFSSA-N 410.522 1.912 30 10 HDEE C=C(C)COCCn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](C(=O)NC)C1 1690309926 NWBXBEWRPRTOQG-QGZVFWFLSA-N 400.483 1.192 30 10 HDEE C=CCNC(=O)Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1 1690672527 VFXUOWVDNLBFIA-QGZVFWFLSA-N 416.570 1.912 30 10 HDEE CC(C)(C)[S@@](=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1691328901 PZCWGGPFKATMDB-MVJQZIEYSA-N 420.583 1.853 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCC(S(=O)(=O)CC)CC1 1705514337 RQIGNMZVHNNIJE-UHFFFAOYSA-N 404.540 1.886 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@H]1CCO[C@@H](C)C1 1705573374 FOAMPWFOZVLWFC-YESZJQIVSA-N 407.540 1.166 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1scnc1C 1705598630 MXXWSMZAHLDBEC-INIZCTEOSA-N 417.560 1.651 30 10 HDEE C=CCCCCn1c(N(C)[C@H]2CCS(=O)(=O)C2)nnc1[C@@]1(OCC)CCOC1 1705809563 VLWBWSKCYFIKBV-QFBILLFUSA-N 412.556 1.910 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2occc2C)C1 1705925123 LKJKSKSJKHYPKM-CVEARBPZSA-N 406.508 1.911 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(-c2noc3c2COCC3)n1CC[C@@H]1COCCO1 1706072476 CYYBLROFGDRVTP-UONOGXRCSA-N 402.455 1.407 30 10 HDEE CC1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1708112800 GESCAPQRLSKXQJ-HXUWFJFHSA-N 415.519 1.603 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCN1CCOCC1 1708728809 HCZBYOUBQXOZTJ-HXUWFJFHSA-N 421.521 1.361 30 10 HDEE CCc1ccccc1OCc1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(C)=O 1708954577 HTRTZBUBWFYKSH-GOSISDBHSA-N 412.494 1.674 30 10 HDEE COC[C@H](C)Cn1c(-c2cccc(C#N)c2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1712135768 UEDKBTWMWPQXKU-ZTFGCOKTSA-N 413.478 1.459 30 10 HDEE COCCOCCn1c(CC2CCCC2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1712620149 COHKKMGXMJXFPK-IBGZPJMESA-N 402.543 1.850 30 10 HDEE N#CCCN(CC1CC1)c1nnc(-c2cccnc2)n1CCNC(=O)c1cc[nH]n1 1712886772 FPODUEBFIFVQIL-UHFFFAOYSA-N 405.466 1.623 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1Cc1ccc(O)cc1)[C@H]1CCS(=O)(=O)C1 1722367536 NSXJNXQTRGYJLD-IRXDYDNUSA-N 416.503 1.163 30 10 HDEE C#CCN(c1nnc(CC)n1CCNC(=O)[C@H](C)CCC)[C@H]1CCS(=O)(=O)C1 1722368246 QBDPKCDVAJHOTE-CVEARBPZSA-N 409.556 1.020 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)NC(C)C 1722419576 BTMMDJYBOHYJBX-KRWDZBQOSA-N 412.469 1.533 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC2(CCOCC)CCC2)CC1 1722438015 YDPTYSUXYAJFSY-SFHVURJKSA-N 414.554 1.581 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1722452166 BSZRGWQUOMRJPD-HNNXBMFYSA-N 418.567 1.278 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(CC(N)=O)CC1 1722464403 FDZLRPAVDZOIAV-WMZOPIPTSA-N 421.567 1.460 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2CCN2CCOC[C@@H]2C)C1 1722712313 PPNMHOGGSGFTHP-ROUUACIJSA-N 400.527 1.786 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccco2)C1 1722716554 ZTWIRETVJZUHQU-QEEYODRMSA-N 401.467 1.511 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1C[C@@H](C)OC(C)(C)C1 1722728160 UWEHLVYPKLGQGI-CVEARBPZSA-N 412.556 1.777 30 10 HDEE Cc1nc(CCn2c(COc3ccc(C#N)cc3)nnc2N2CCNC(=O)C2)cs1 1725490677 HNGOWMPLAYTSGJ-UHFFFAOYSA-N 423.502 1.673 30 10 HDEE CCCNC(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@]2(CCOC2)C1 1728186310 MOTNSBULJTWBOZ-JOCHJYFZSA-N 424.505 1.729 30 10 HDEE CS(=O)(=O)NCCn1c(COc2ccccc2F)nnc1N1CCC(C#N)CC1 1731020037 GTYZARINJAYTMA-UHFFFAOYSA-N 422.486 1.285 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1740553751 UHXYTNQHHLNQRS-YOEHRIQHSA-N 400.504 1.717 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1cccc(OC)c1 1740599475 BJJNYKBGLMGOLK-HNNXBMFYSA-N 419.551 1.944 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1sc(C)nc1C 1740640933 ZUOAKFTYYABAFX-INIZCTEOSA-N 417.560 1.569 30 10 HDEE C#CCSCCn1c(Cn2ccc3ccccc32)nnc1N1CC[C@H](C(N)=O)C1 1740719753 JYUGBDYCUIJTTK-KRWDZBQOSA-N 408.531 1.959 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(CC)CCS(C)(=O)=O 1740756276 GQEBUQVPMUXAHI-DOTOQJQBSA-N 420.539 1.587 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 1740947060 PFNRYVPEIMSTIE-LBPRGKRZSA-N 406.430 1.714 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cc3csc(C)n3)n2Cc2cnnn2C)C1 1740983524 KJNUBCXOVVGSHV-INIZCTEOSA-N 400.512 1.592 30 10 HDEE Cn1cc(-c2nnc(N3CCCC3(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)cn1 1748011197 QCHIAUNUGCQIJE-FBMGVBCBSA-N 410.482 1.584 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1CCN/C(O)=C1\N=CC=CC1=O 1748684355 HQUFBEXJZBNSON-CVTQAYBASA-N 422.493 1.124 30 10 HDEE C#CCCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2c(ccnc2O)C1 1748700163 YOVFCSWNPRJQRL-AWEZNQCLSA-N 418.523 1.355 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1C[C@@H]1CCN(CC)C1)[C@@H]1CCS(=O)(=O)C1 1748818109 VSWSUZDNHAZGAI-QZTJIDSGSA-N 421.611 1.835 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC[C@H]2CCCCO2)CC1 1748979224 WGWXDLCKGFTICE-KNQAVFIVSA-N 417.554 1.645 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccncc3)n2Cc2cnccc2OC)CC1 1748993909 QDLDLRAAHUEFFR-UHFFFAOYSA-N 403.490 1.471 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCCOC3)n2CCOC(C)(C)C)CC1 1749009503 JUEDLAJWSPAUTI-GOSISDBHSA-N 417.554 1.953 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCSC2)CC1 1749343045 VYHJKNQNKNGTLK-QAPCUYQASA-N 412.581 1.451 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1749421051 JMJBRCJKYWJHSV-FQEVSTJZSA-N 412.498 1.459 30 10 HDEE C=CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCO[C@H](C)C2)nc1 1749462378 UMCLESBFPNHIEH-MRXNPFEDSA-N 413.526 1.707 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1749724507 KCCYKOZWCNZJMV-ZFWWWQNUSA-N 422.463 1.561 30 10 HDEE CS(=O)(=O)N1CC[C@@H](Cn2c(CC3CCCC3)nnc2N2CCO[C@@H](C#N)C2)C1 1750208682 HJMANMGRNMXOSV-SJORKVTESA-N 422.555 1.021 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1nccn1C(F)F 1751093995 BTQSTWCSPHDRLY-NWDGAFQWSA-N 413.454 1.558 30 10 HDEE Cc1nccn1CCn1c(N2CCO[C@@H](C#N)C2)nnc1[C@@]1(OC(C)C)CCOC1 1751813558 REPWRAVUPRJYFJ-FXAWDEMLSA-N 415.498 1.253 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCOCCOC 1760201784 JIXVCNRWOZLLBB-UHFFFAOYSA-N 406.446 1.330 30 10 HDEE C=C(C)CN(CC)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(C)(=O)=O 1760331561 KYVPOTXQBFIHNP-UHFFFAOYSA-N 407.496 1.625 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@]2(CCC(=O)N2)C1 1760520578 SINRSVYDRDNRKW-FQEVSTJZSA-N 414.897 1.760 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC)C1 1760555377 DWJNTXICBXZEBH-IRXDYDNUSA-N 412.556 1.778 30 10 HDEE CC(C)C(=O)NCCN(C)c1nnc(-c2cccc(C#N)c2)n1Cc1ncn(C)n1 1760848550 FLDWPAMKEAKYAB-UHFFFAOYSA-N 407.482 1.202 30 10 HDEE CC(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1761112323 OKWUTCQFSBKATK-ZDUSSCGKSA-N 416.507 1.371 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1C[C@@H](C)N1CCOCC1 1769994522 KFBUXSMTTBOIHE-MDZRGWNJSA-N 410.494 1.165 30 10 HDEE CC(=O)N1CCN(C(=O)c2ccccc2C(=O)N2CCCc3nc(C#N)ccc32)CC1 1849052957 QUGPWWNBBZGVJP-UHFFFAOYSA-N 417.469 1.851 30 10 HDEE Cn1cc(C#CCNC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cn1 1850054858 HODUJOBFORNSJG-UHFFFAOYSA-N 400.504 1.766 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2ccnc(OC)c2I)CC1=O 1852046860 GJOMKIGKQKEJCZ-VIFPVBQESA-N 401.204 1.668 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)[C@@H]1CCc2nn(C)c(=O)cc2C1 1853412423 ABIMGCPCKVAIGD-GOSISDBHSA-N 418.501 1.740 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@H]3CCN(C(=O)[C@@H]4CCCOC4)C3=O)CC2)CC1 1853675754 PPSJPMDQFBOVKT-MOPGFXCFSA-N 416.522 1.015 30 10 HDEE Cc1cc(S(=O)(=O)N2CCN(C(=O)c3ccc(C#N)cc3)C(=O)C2)ccc1F 1853940687 XAUISOZHJRCYGV-UHFFFAOYSA-N 401.419 1.679 30 10 HDEE COc1cccc2sc(N3CCN([C@@H]4CCCN(C(=O)CC#N)C4=O)CC3)nc12 1853956677 CIFYMVYVEQCYDT-CQSZACIVSA-N 413.503 1.858 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)c2cc(CCC)on2)C1=O)[C@@H]1CCN(C)C1=O 1854101991 ZZOXVBKBAINEJR-ZWKOTPCHSA-N 402.495 1.867 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)CCc2ccccc2OCC)C1=O 1854179907 ZZJAOXGIDOPQIF-RBUKOAKNSA-N 413.518 1.864 30 10 HDEE C=CCN([C@H]1CCN(C(=O)CCc2ccc(F)cc2F)C1=O)[C@@H]1CCN(C)C1=O 1854331054 SRHQZZNMLSDAJE-MSOLQXFVSA-N 405.445 1.744 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3cn2)C(=O)C12CCCC2 1854401171 KFBMZBDQHRXAQP-UHFFFAOYSA-N 412.471 1.685 30 10 HDEE C[C@H](CCC#N)N1CC[C@@H](N2CCN(C(=O)C3CC4(CCOCC4)C3)C(=O)C2)C1 1854935667 RWSAFDOJLGOKJQ-IEBWSBKVSA-N 402.539 1.631 30 10 HDEE CCS(=O)(=O)C1CN([C@H]2CCN(C(=O)c3cc(CC#N)ccc3Cl)C2=O)C1 1854964113 KYSIRUKIMSYYQM-INIZCTEOSA-N 409.895 1.266 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2cc(CC#N)ccc2Cl)CCN1[C@@H]1CCS(=O)(=O)C1 1855946733 DMABPFWREKXTSY-TZMCWYRMSA-N 409.895 1.266 30 10 HDEE C=CCN(CC=C)[C@@H]1CCCCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C1=O 1855994994 UNQAQBSAHLEDCN-IEBWSBKVSA-N 403.523 1.596 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN([C@@H](C)CCC#N)CC2=O)cc1 1856438573 DYCJFMDEZKVHFH-INIZCTEOSA-N 420.535 1.694 30 10 HDEE N#CCS(=O)(=O)N1CCC([C@@H]2CN(C(=O)[C@@H]3Cc4ccccc43)C(=O)O2)CC1 1856635893 VYTSZNKYOGFSFB-SJORKVTESA-N 403.460 1.239 30 10 HDEE COc1ccc(S(=O)(=O)N[C@H]2CCN(C(=O)c3cccc(C#N)c3)C2)cc1OC 1858298690 WCJLXKFXFVTGFB-INIZCTEOSA-N 415.471 1.768 30 10 HDEE N#Cc1ccc(NC(=O)[C@H]2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)cc1 1858403703 SUHFSTNQUYGWKE-HNNXBMFYSA-N 413.455 1.979 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(CCNC(=O)c3cccc(C#N)c3)cc2)CC1 1859529468 NPVNVKMHWKWSQZ-UHFFFAOYSA-N 412.515 1.467 30 10 HDEE C=CCNC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 1861603679 HSZYORKPCAUNFI-TZIWHRDSSA-N 421.497 1.770 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H](CO)NC(=O)c2nc(C(F)(F)F)n3ccccc23)cc1 1867289179 SDFNSCBKCDSKOH-CYBMUJFWSA-N 417.347 1.954 30 10 HDEE N#Cc1nnn(Cc2cccc(F)c2)c1NC(=O)CN1C(=O)c2ccccc2C1=O 1870106774 FJZQKDUGTYRVHJ-UHFFFAOYSA-N 404.361 1.572 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(OCC)cc2)c(=O)cc1CN(C)CCO 1870698825 KUKUCPOENFSGLL-UHFFFAOYSA-N 415.490 1.875 30 10 HDEE C=CCn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(NC[C@@H](C)O)ncnc21 1875229666 AIQQHRBQARKYTD-MRXNPFEDSA-N 421.505 1.767 30 10 HDEE N#Cc1cc(CS(=O)(=O)CC[C@H](NC(=O)OCc2ccccc2)C(=O)O)ccn1 1882815720 YTFVKYFOSRUQGX-KRWDZBQOSA-N 417.443 1.638 30 10 HDEE N#Cc1ccccc1S(=O)(=O)NC[C@H]1CN(c2ccc3c(c2)OCO3)C(=O)O1 1891833324 BXTFOKTYXLCWLC-AWEZNQCLSA-N 401.400 1.591 30 10 HDEE CCc1cc(=O)n2c(n1)SC[C@@H]2CC(=O)N1CCN(c2ncccc2C#N)CC1 1892040705 AXXRMGDKUHXONX-INIZCTEOSA-N 410.503 1.458 30 10 HDEE CC(C)(S)[C@H](NS(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O)C(=O)O 2019058144 MQZFYYNMZOWATL-CYBMUJFWSA-N 414.505 1.144 30 10 HDEE C[C@](F)(CN1C(=O)c2ccccc2C1=O)CS(=O)(=O)Nc1cc(C#N)ccn1 2066428935 QJDWYDSSLGUJQB-SFHVURJKSA-N 402.407 1.719 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(S(=O)(=O)N2CCC(C#N)CC2)CCO1 2174780851 ZAJJRXUTIFWXBB-ZFWWWQNUSA-N 402.517 1.081 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NS(=O)(=O)N1CC[C@@H](C#N)C1 2174782584 RUEFFZPTCYNBIO-SOUVJXGZSA-N 402.517 1.081 30 10 HDEE C#CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@H]1CCS(=O)(=O)C1 2180035280 CLYNZCHZJMMMAS-RYUDHWBXSA-N 412.430 1.339 30 10 HDEE CC1(C)OB(C=C2CCN(C(=O)CS[C@@H]3CCS(=O)(=O)C3)C2)OC1(C)C 2208834843 PJUGNFDZOAPILR-CQSZACIVSA-N 401.359 1.697 30 10 HDEE C#Cc1c(NS(=O)(=O)CC(C)(C)CN2C(=O)c3ccccc3C2=O)cnn1C 2217878157 BPDKVHBCHRYTNV-UHFFFAOYSA-N 400.460 1.466 30 10 HDEE Cc1sc(C(=O)N2CC(NC(=O)C(F)(F)F)C2)cc1B1OC(C)(C)C(C)(C)O1 2243381062 HWSNIBKVMYBFEL-UHFFFAOYSA-N 418.246 1.859 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2243673832 AXYCBDMMDZUZHD-ZDUSSCGKSA-N 407.276 1.205 30 10 HDEE CC(C)(C)OC(=O)N1CC(C)(OCC(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C1 2243675183 SQYFTNWKHURZBW-UHFFFAOYSA-N 408.304 1.763 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1cccc(B2OC(C)(C)C(C)(C)O2)n1 2247671264 QIBJZZZWCFCSGA-LSDHHAIUSA-N 419.331 1.845 30 10 HDEE CC(C)(C)OC(=O)N[C@]12C[C@@H]1CN(C(=O)c1cc(B3OC(C)(C)C(C)(C)O3)n[nH]1)C2 2247826854 APBCJXZRVPCXLU-ODXCJYRJSA-N 418.303 1.448 30 10 HDEE Cn1cc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1 2247838704 MBJBWPFTAPZKKM-ZDUSSCGKSA-N 420.319 1.459 30 10 HDEE CCn1cc(C(=O)NCC(=O)NCc2ccccc2)nc1B1OC(C)(C)C(C)(C)O1 2247911603 WXIBDRMEBVMDRF-UHFFFAOYSA-N 412.299 1.248 30 10 HDEE CC(C)(C)OC(=O)N1CC=CCN1C(=O)c1nccnc1B1OC(C)(C)C(C)(C)O1 2248063944 PZSMIZXPHYWKDT-UHFFFAOYSA-N 416.287 1.940 30 10 HDEE CC1(C)OB(c2cc(C(=O)N[C@H]3CCS(=O)(=O)C3)sc2Cl)OC1(C)C 2267544808 ZDYBSPIFYFFOFI-VIFPVBQESA-N 405.734 1.618 30 10 HDEE CN(Cc1csnn1)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267714570 YJEZEMJAVAMJSX-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE CC1(C)OB(c2cccc(S(=O)(=O)N3CCC[C@H]3C3OCCO3)c2)OC1(C)C 2267718628 WANBUKCDNCURIR-INIZCTEOSA-N 409.313 1.512 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@@H]2CCCC[C@@H]2CN)OC1(C)C 2282340597 HYDCYYOVGXQFNS-TZMCWYRMSA-N 400.375 1.843 30 10 HDEE CC1(C)[C@@H](O)CCCN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282343548 GIQBKODUVRBNGG-ZDUSSCGKSA-N 401.359 1.971 30 10 HDEE C[C@@H]1C(=O)N(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C 2282490202 GTZQZUDPGDXGQL-QWRGUYRKSA-N 400.331 1.387 30 10 HDEE C[C@H]1CN(S(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)C(=O)[C@@H]1C 2282490207 GTZQZUDPGDXGQL-WDEREUQCSA-N 400.331 1.387 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N2CC[C@H]3C[C@]3(F)C2)OC1(C)C 2282491625 LWEROMTXYYUQKA-ZBEGNZNMSA-N 402.322 1.706 30 10 HDEE CON(C1CNC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282495316 KTZCDFINYXZIKQ-UHFFFAOYSA-N 402.709 1.163 30 10 HDEE C[C@H](N)C[S@@](C)(=O)=NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282500952 PZNRDUADKVNVHJ-JPQMIFPKSA-N 422.403 1.322 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2CC[C@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282504275 MIWXOCNDEWRHPO-QWHCGFSZSA-N 401.359 1.713 30 10 HDEE C[C@H](CCS(C)(=O)=O)N(C)C(=O)c1csnc1B1OC(C)(C)C(C)(C)O1 2282620183 BOYAAQDJTZOAJX-LLVKDONJSA-N 402.347 1.338 30 10 HDEE CC1(C)OB(c2ccc(C(=O)N3CCSC[C@H]3S(C)(=O)=O)o2)OC1(C)C 2282631202 SSHQEDIHQXWTLN-CYBMUJFWSA-N 401.315 1.139 30 10 HDEE CN1C[C@@H](NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)CC1=O 2282829020 YIQAEOYEIFTMLG-VIFPVBQESA-N 420.749 1.210 30 10 HDEE Cn1nc(CNS(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)cc1Cl 2282854870 WYQDIAWEIQIYTL-UHFFFAOYSA-N 417.749 1.913 30 10 HDEE C[C@H]1CCC[C@@]1(O)CNS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282860418 ZTRSZNLVAVSHDY-YVEFUNNKSA-N 401.359 1.877 30 10 HDEE CC(C)C[C@H](CO)CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282867193 VFNUXMAYZQBQOC-ZDUSSCGKSA-N 403.375 1.980 30 10 HDEE CC1(N)CC(NS(=O)(=O)c2ccc(Cl)c(B3OC(C)(C)C(C)(C)O3)c2)C1 2282871170 CHZINUFCCWBPOL-UHFFFAOYSA-N 400.737 1.797 30 10 HDEE C=C[C@@H](NS(=O)(=O)c1c(C)sc(C)c1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284399562 LWWQAGWVXLPZAU-LLVKDONJSA-N 401.315 1.582 30 10 HDEE CCSC[C@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284404578 AMYWSAXBDMLRNS-NSHDSACASA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N[C@](C)(C(=O)O)C(F)F)OC1(C)C 2284410187 SGWYNMLAEWZLNK-AWEZNQCLSA-N 411.257 1.434 30 10 HDEE C[C@@H](F)[C@@H](NS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284412925 YPJZJTOSHRMCEE-MWLCHTKSSA-N 407.294 1.278 30 10 HDEE CC[C@@H]1[C@@H](O)CCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2288914842 LXBZGSRVIDLPQB-OLZOCXBDSA-N 402.347 1.117 30 10 HDEE CN(C)CCN(Cc1ccccc1)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)ncn1C 2300230915 QBVGYYOPUHFPKR-UHFFFAOYSA-N 412.343 1.923 30 10 HDEE C=CCN1CCN(C2(C(=O)O)CCN(C(=O)OCc3ccccc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n1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCCC(=O)OCC)C2 14741447 UQGOCVKGMSIUHU-HNNXBMFYSA-N 406.552 1.658 30 10 HDEE C=CCNC(=O)CN1CCN(CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)CC1 52305300 QMLLFMZSINBMQT-UHFFFAOYSA-N 413.349 1.872 30 10 HDEE C#CCn1c(=NC(=O)c2ccccc2[N+](=O)[O-])sc2cc(S(N)(=O)=O)ccc21 254799219 ZYUCIBGKUIQWIS-UHFFFAOYSA-N 416.440 1.633 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F 254870722 FRHIXSCNKRWPKW-QWHCGFSZSA-N 400.453 1.682 30 10 HDEE C#CCN(CC#N)S(=O)(=O)c1ccc(I)c(C(=O)O)c1 312163465 VYVCBSXRRKBNGR-UHFFFAOYSA-N 404.185 1.137 30 10 HDEE C[C@@H](C(=O)Nc1ncn(Cc2cccc(Br)c2)n1)n1cnc(C#N)n1 409598684 DHKSBOFWRCYDRJ-JTQLQIEISA-N 401.228 1.752 30 10 HDEE COc1cc(C)nc(C=c2sc(=C(C#N)C(=O)c3cccc(F)c3)n(C)c2=O)c1 446157602 KRBVRXHFPZEZRK-UHFFFAOYSA-N 409.442 1.684 30 10 HDEE N#Cc1ccc(OCCNC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 460280153 INUMDOPREAIHNQ-UHFFFAOYSA-N 416.455 1.688 30 10 HDEE COc1cccc(N2C[C@@H](NC(=O)N3CCN(c4ncccc4C#N)CC3)CC2=O)c1 510286406 KSUXJGRZPAPJDO-KRWDZBQOSA-N 420.473 1.599 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCN(c4cccc(C#N)n4)CC3)CC2)o1 526013173 ZAAZDOZGBOKRAE-UHFFFAOYSA-N 405.462 1.687 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC3(CCO)CCCC3)CC2)cc1 557429202 SOMMNERTFXIEGY-UHFFFAOYSA-N 405.520 1.770 30 10 HDEE CCO[C@@H]1C[C@H](NC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)[C@H]1n1cccn1 581510622 ASGJFQIKIMHBTF-LZLYRXPVSA-N 417.491 1.142 30 10 HDEE Cc1cc(C)cc(-c2cc(NC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)n[nH]2)c1 582271040 HBZBNVKWJBICSQ-UHFFFAOYSA-N 409.471 2.482 30 10 HDEE COc1cc(CNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)ccc1C#N 583472221 WZOBZNNIAMXRSE-UHFFFAOYSA-N 413.430 1.639 30 10 HDEE N#Cc1cnc(N2CCN(c3ccc4ncnc(O[C@H]5CCOC5)c4c3)CC2)cn1 585566469 SUZYOVYAHMCPNH-KRWDZBQOSA-N 403.446 1.786 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)cc1)[S@](=O)CC(=O)N(C)CCC#N 586279872 INMZZSOWCIAHJC-BSNNYGBQSA-N 400.298 1.897 30 10 HDEE C[C@H](Oc1ccccc1C#N)C(=O)NCCCCN1CCN(c2ncccn2)CC1 609176693 NEUJNBUJEDEQNP-SFHVURJKSA-N 408.506 1.834 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)C(=O)NCCCN1CCCS1(=O)=O 609406519 UMKXRKRJCTXDMZ-CQSZACIVSA-N 424.548 1.419 30 10 HDEE N#Cc1cccc(S(=O)(=O)CCN2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1 611089683 FFYIOFSFGFXXBV-HNNXBMFYSA-N 401.448 1.822 30 10 HDEE C[C@H](C#N)CN(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CC1 611091291 QDXMVYDRVAUWEF-MRXNPFEDSA-N 401.486 1.532 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCNC(=O)[C@@H]3c3ccccc3F)cc2C1=O 680126864 JUPWTYXSICWPNF-SFHVURJKSA-N 407.401 1.921 30 10 HDEE C#CCN(C(=O)CSc1nnc(-c2ccco2)n1CC)[C@H]1CCS(=O)(=O)C1 729331146 KAOZRHUFXBXZSK-ZDUSSCGKSA-N 408.505 1.299 30 10 HDEE CS(=O)(=O)c1ccc(OCCCCC(=O)N2CCN(C3CC3)[C@H](C#N)C2)cc1 732649719 PDBLWKVDNPKBJW-QGZVFWFLSA-N 405.520 1.838 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NC1CCN(Cc2ccc(F)cc2)CC1 733888622 BADOPBKQRQBQFC-QZQOTICOSA-N 400.454 1.823 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)c(Br)c1 743344840 VRYXEFXZIBPKSU-JTQLQIEISA-N 410.286 1.399 30 10 HDEE N#C[C@H](NC(=O)[C@H]1Nc2ccccc2S(=O)(=O)N1)c1ccc(Br)cc1 749892357 AMAGVBYVEJXZJG-ZFWWWQNUSA-N 421.276 1.860 30 10 HDEE C#CCN(C(=O)c1cnc(SC)n1-c1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 751275217 PHIWZOYAKLRESK-OAHLLOKOSA-N 407.492 1.996 30 10 HDEE CCn1cnc(S(=O)(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)c1 753067127 XFRSKSZRHLROHT-XDJHFCHBSA-N 411.509 1.517 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)N2CCN3CCOC[C@@H]3C2)c1 756033251 XEIOHYQGAHXNNA-XMMQZVGTSA-N 421.523 1.048 30 10 HDEE CCn1cc(-n2c(=C(C#N)C#N)sc(=Cc3ccc([N+](=O)[O-])cc3C)c2=O)cn1 758073421 XSHHCRBZNROVSM-UHFFFAOYSA-N 406.427 1.359 30 10 HDEE CC(Cn1cc(Br)ccc1=O)=NN=C1NS(=O)(=O)c2ccccc21 761781730 LRLPDHKPUXNVCB-UHFFFAOYSA-N 409.265 1.725 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)cn1 763358196 QGGPRMYSTLCMNF-UHFFFAOYSA-N 413.488 1.273 30 10 HDEE C[C@H](CCNC(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCN2C)cc1)[S@@](C)=O 765945852 QTQFFWGXTQDPJW-UIDXNVAMSA-N 414.553 1.778 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccccc2C#N)N(Cc2nnnn2CC2CC2)C1=O 769745485 JGBKQKGZUXHCMS-HNNXBMFYSA-N 424.490 1.223 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(CCO)CCC1 771738276 SYMJSGSVFRJBMK-UHFFFAOYSA-N 407.536 1.954 30 10 HDEE C#CCN(C(=O)NC[C@@H](Cc1ccccc1)N(CC)CC)[C@@H]1CCS(=O)(=O)C1 774171524 PPDPQFYPEMYQNB-WOJBJXKFSA-N 405.564 1.771 30 10 HDEE C#CCN(C(=O)NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 774194074 BNVIJRKGDBZSQK-WOJBJXKFSA-N 403.548 1.731 30 10 HDEE C#CCN(C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O)[C@@H]1CCS(=O)(=O)C1 774265263 XWXQQXQPJKTPBD-ZBFHGGJFSA-N 407.467 1.153 30 10 HDEE CC(C)(C#N)CS(=O)(=O)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1 776138355 HYMMWLSGUBXWAU-LBPRGKRZSA-N 419.550 1.287 30 10 HDEE Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)[C@@H](O)c2ccc(C#N)cc2)c(C)c1 780210074 NGGKEZWSKBVNFO-NRFANRHFSA-N 409.442 1.815 30 10 HDEE Cc1cc(C)n(N=C[C@H]2CCCN(C(=O)CNC(=O)OC(C)(C)C)C2)c(=O)c1C#N 794480019 AFVODWPCHWPNPY-MRXNPFEDSA-N 415.494 1.934 30 10 HDEE CCCN1C(=O)CC[C@@H](C(=O)OCC(=O)N(CC)CCC#N)[C@@H]1c1cncn1C 796086231 GEKGDNGEIABUFR-DNVCBOLYSA-N 403.483 1.415 30 10 HDEE C[C@H]1CN(CN2C(=O)N[C@](C)(c3cccc(C#N)c3)C2=O)C[C@]2(CCO[C@H](C)C2)O1 797417465 NEMMOXLCBYZUTL-FHTPNYMGSA-N 412.490 1.941 30 10 HDEE COc1ncc(COC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)n1 798618155 UYYWYTPNUYCXEQ-INIZCTEOSA-N 409.402 1.614 30 10 HDEE C[C@H](C(=O)OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1)n1cnc(C#N)n1 798741459 QXESRKMJKDHFJM-GFCCVEGCSA-N 405.336 1.441 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2CC(=O)NCC)ccc1F 803647263 NAICKOUQNXLPMN-OAHLLOKOSA-N 411.499 1.811 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1cc(Br)cc2cccnc12 805059817 GKODOAZLGZAQOP-UHFFFAOYSA-N 419.322 1.876 30 10 HDEE C#CCN(c1nnc(-c2ccc(Br)s2)n1C)[C@@H]1CCS(=O)(=O)C1 809865357 LKJNDXPHWNYVMF-SNVBAGLBSA-N 415.338 1.933 30 10 HDEE N#Cc1cc(Br)cc(S(=O)(=O)NC(=O)[C@H]2CCNC(=O)CC2)c1 815978001 ICWHOHRFRMGSHA-SNVBAGLBSA-N 400.254 1.042 30 10 HDEE COCCOc1cccc(C=c2sc(=C(C#N)C#N)n(C[C@@H]3CCCO3)c2=O)c1 917767664 CTLWLBLMFGRDPF-SFHVURJKSA-N 411.483 1.141 30 10 HDEE C#CCN(C(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1)C1CCN(C)CC1 1134043789 MBEFZSLUFDWRCM-FQEVSTJZSA-N 417.575 1.784 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(n3cnc(C(N)=O)c3N)CC2)c1Br 1138893652 KFFMAXSYPRIDOB-UHFFFAOYSA-N 417.267 1.676 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)NC3(CO)COC(C)(C)OC3)C2)C1 1139584765 JWVKPLHAEKFHGE-RDYUPDBUSA-N 423.510 1.403 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)[C@H]2CC[C@H](C3CC3)N2C(=O)OC(C)(C)C)CC1 1140132432 GAMFSOMDNCUDSL-QZTJIDSGSA-N 418.538 1.058 30 10 HDEE C=CCn1cc(CNC(=O)[C@H](CCCC)/N=C2/NS(=O)(=O)c3ccccc32)nn1 1142655489 FPVGLKHQCOCKPJ-INIZCTEOSA-N 416.507 1.378 30 10 HDEE COCCCNC(=O)[C@@H](C)N1CCN(C(=O)/C=C/C(=O)c2ccc(C)cc2)CC1 1144574088 OZAVFYHQOVDWBT-QZEKMECESA-N 401.507 1.419 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)C[C@@H](C)/N=C1/NS(=O)(=O)c2ccccc21 1146247091 HSDHTDLQWHXENN-CQSZACIVSA-N 419.503 1.307 30 10 HDEE N#Cc1ncn(-c2ccccc2NC(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)n1 1160793927 ICDASQDXEAKNBK-WMZOPIPTSA-N 417.347 1.888 30 10 HDEE CC(C)(C)OC(=O)Nc1ccccc1CC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1178757409 PRXYAVUBYQINFX-YWZLYKJASA-N 419.503 1.973 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(CCNC(=O)C(C)(C)C)s2)C1 1194689970 CWQJKICTRWXUGN-HNNXBMFYSA-N 411.593 1.829 30 10 HDEE CC(C)N(CCCNC(=O)CN1CCC[C@](C#N)(c2ccccn2)C1)S(C)(=O)=O 1196790623 WUFDFJNHLYYZKH-HXUWFJFHSA-N 421.567 1.115 30 10 HDEE N#C[C@@]12CN(CC(=O)NCc3ccc(OC(F)(F)F)cc3)C[C@H]1CS(=O)(=O)C2 1198083540 ACHKHSFSKRGEFL-BBRMVZONSA-N 417.409 1.072 30 10 HDEE C=CCN(CCC#N)S(=O)(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1OC 1211970574 FGMBYPRAOYNPQN-QZTJIDSGSA-N 407.492 1.754 30 10 HDEE C#C[C@@H](NC(=O)NCc1nc(O)cc(CNC(=O)OC(C)(C)C)n1)[C@@H]1CCCO1 1226734754 MYYNDLWCPDKOFA-KGLIPLIRSA-N 405.455 1.187 30 10 HDEE Cc1nc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(C)c(C#N)c3)CC2)cs1 1255204010 ZZCSYDBUWCKHMV-UHFFFAOYSA-N 419.532 1.848 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(CC(F)(F)F)C1 1286271041 QEHKWPDEXHCQRE-CABCVRRESA-N 412.460 1.856 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc[nH]2)n1CCCN1C(=O)NC2(CCCC2)C1=O 1286284936 HFVARSPSAKUPEB-HNNXBMFYSA-N 409.494 1.986 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C3CCC3)n2C[C@]2(O)CCOC2)c1 1286309145 HPDQFAOVQMOGHZ-JOCHJYFZSA-N 409.490 1.753 30 10 HDEE C#CCCCCn1c(N2CC(=O)N(C)C[C@@H]2C)nnc1[C@@]1(OC(C)C)CCOC1 1286336316 WVKBGLXJIGJIJF-LAUBAEHRSA-N 403.527 1.789 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)[C@H](C)[C@@H](C)O2 1286360206 DKFGXJSSEYRSJW-QLFBSQMISA-N 417.535 1.890 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1C[C@]1(O)CCO[C@@H]1C 1286409437 LOCDMBIBOSTDSK-GTCCEBARSA-N 408.458 1.403 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc(-c2cnn(C)c2)n1C[C@]1(O)CCOC1 1286456397 QPIOEKATZVBSFK-OAQYLSRUSA-N 410.453 1.609 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCC(C)(C)O)CC1 1286472754 KIVUYFIGWRQTRT-NRFANRHFSA-N 405.543 1.235 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H]2CCCOC2)CC1 1286495463 WQLHQAOSNWCRPO-SJLPKXTDSA-N 401.511 1.522 30 10 HDEE C#CCSCCn1c(N2CCN(C(C)=O)C[C@H]2C)nnc1[C@]1(OCC)CCOC1 1286512343 JTUAXJHPYHOYPT-UZLBHIALSA-N 421.567 1.354 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)C)CC1 1286790157 OCYJKXAWLNXYLR-UHFFFAOYSA-N 422.537 1.349 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N1C[C@@H](COC)O[C@H](C)C1 1286824768 ILJOHQSWBNDKHQ-CVEARBPZSA-N 409.556 1.673 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1286828780 QSYHHQXMVUTSDR-KRWDZBQOSA-N 417.583 1.756 30 10 HDEE Cc1cc(C)n(Cc2nnc(N(C)C[C@H](C)C#N)n2CC2(CS(C)(=O)=O)CC2)n1 1290593239 HOUGLILIUZBKJU-CQSZACIVSA-N 419.555 1.560 30 10 HDEE C[C@H]1COCCN1c1nnc(COc2ccc(C#N)cc2)n1C[C@@]1(C)COCCO1 1291306112 RWZOSGSPWUXPGN-KKSFZXQISA-N 413.478 1.759 30 10 HDEE CCn1cnnc1Cn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1295968446 HIPXFEHAIYKHFI-OALUTQOASA-N 418.477 1.420 30 10 HDEE CCO[C@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@]2(O)CCN(C)C2)C1 1296971456 ACPMECIPWHZVPX-UGKGYDQZSA-N 410.522 1.889 30 10 HDEE CCOCCN(C)c1nnc(-c2ccc(C#N)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1297512015 IIXAFOAGWCNEOU-INIZCTEOSA-N 411.466 1.278 30 10 HDEE CC(C)[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(C(=O)C(=O)OC(C)(C)C)CC1 1300181980 UOCWHCZJTQFVPC-GOSISDBHSA-N 415.490 1.974 30 10 HDEE C#CCN(C)c1nnc(CSc2ccccc2OC)n1CCS(=O)(=O)NC 1300476110 GAIPOVZNYWOETQ-UHFFFAOYSA-N 409.537 1.198 30 10 HDEE C#CCN(c1nnc(COCC)n1Cc1ccc(F)cn1)[C@H]1CCS(=O)(=O)C1 1300503624 FJDWQRSIIYBPAM-INIZCTEOSA-N 407.471 1.024 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300545709 VZKVRIQILFZWEI-JOCHJYFZSA-N 409.465 1.520 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2COc3ccccc3O2)n1CCN(C)CCOC 1300577910 FIIWBLDZUKMEBW-NRFANRHFSA-N 423.517 1.832 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCc1nnc2n1CCCCC2 1300635438 MFYVMACJTUJDNK-UHFFFAOYSA-N 410.526 1.421 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(C)C)CC2)CC1 1300699882 IWCAHUHYBHMTAN-KRWDZBQOSA-N 405.568 1.372 30 10 HDEE C=CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CC(=O)N(CCOC)C1)C1CC1 1301327259 PBZIOOQGHITMEZ-IAGOWNOFSA-N 403.527 1.822 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H]2CCCN2CCCO)C1 1301552885 AHXXZBHGJHHCGP-RBUKOAKNSA-N 415.542 1.307 30 10 HDEE CC(=O)N1CCC(Cn2c(-c3cccc(C#N)c3)nnc2N2CCO[C@@H](C#N)C2)CC1 1301664190 GTWDNAHZUBDIGI-FQEVSTJZSA-N 419.489 1.804 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2csc(C)n2)n1C[C@@]1(O)CCO[C@H]1C 1301808244 AFJCXJZHVYPSQQ-LIRRHRJNSA-N 420.539 1.540 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2cccc(C(F)(F)F)c2)CC1 1302924398 MAZQCHWPFCWZFP-UHFFFAOYSA-N 403.426 1.250 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(O)CCSC1 1303642043 GBWJFHCWRCDCKE-ACJLOTCBSA-N 420.564 1.876 30 10 HDEE CCc1c(C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)cnn1-c1ccccc1OC 1304273477 XROJVSGIGYJHSH-VBKZILBWSA-N 414.487 1.454 30 10 HDEE Cc1nn(C)c(C)c1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1304722893 GBVFOWCGZCUGQF-CYBMUJFWSA-N 406.498 1.362 30 10 HDEE CC[C@@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1CCCCN1CCN(CC)CC1 1305551049 RXIKVYCMDISBMK-RTBURBONSA-N 403.575 1.938 30 10 HDEE CCc1nnc(N2CCCN(Cc3ccc(C#N)cc3)CC2)n1CCCn1cnnn1 1306180869 QSMMZACFYIJCLT-UHFFFAOYSA-N 420.525 1.501 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)CC[C@@H]3CC[C@@H](C4OCCO4)O3)C2=O)cc1 1306824911 VZHZKHWVIUMQNA-FHWLQOOXSA-N 413.474 1.871 30 10 HDEE C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1308127635 GZOJGMCBFADFJW-YZVOILCLSA-N 404.467 1.331 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NC2CCN([C@@H]3CCC[C@@H]3O)CC2)CC1 1312280564 FWIRCLMRGMQPFU-AEFFLSMTSA-N 403.552 1.829 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](NC(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CO1 1313372509 ZKVGTYUTYAMCRQ-ROUUACIJSA-N 415.494 1.957 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1([S@@](C)=O)CC1 1358880940 WFXIUWWHRYLLEF-IZPCHGGPSA-N 410.507 1.290 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1C[C@H]1COCCO1 1358941202 AYLQZNDJDIFOBO-HNNXBMFYSA-N 402.451 1.456 30 10 HDEE C#CCN(c1nnc([C@@H](C)OCCOC)n1CC(=C)Cl)[C@@H]1CCS(=O)(=O)C1 1358956438 FXBOLLDIFYCIFI-HUUCEWRRSA-N 416.931 1.381 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC1(O)CCC1 1358989046 NQDNWQGDBCMMMB-UHFFFAOYSA-N 402.462 1.299 30 10 HDEE C=C(Cn1c(CN2CCCC2=O)nnc1N(C)CCS(C)(=O)=O)c1ccccc1 1359139761 CSJDHLASGBXNGV-UHFFFAOYSA-N 417.535 1.595 30 10 HDEE C=CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@@H](Cn2nc(C)cc2C)C1 1359291270 KNFXKQVPJAQMIY-OTWHNJEPSA-N 416.526 1.907 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1ccc(F)cc1 1359298579 FAOYGPBQWLZGGG-INIZCTEOSA-N 416.457 1.186 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](OCCOC)C1 1359299902 PKUWTMZIQDPLBM-IRXDYDNUSA-N 407.515 1.454 30 10 HDEE C=CCNC(=O)Cn1c(CC)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 1359301699 IDWVIFZDACCCLS-UHFFFAOYSA-N 418.448 1.383 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1359331992 LXVUKKPCDRUJNH-OAHLLOKOSA-N 409.556 1.449 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCOCc1ccccc1 1359474352 QHIIIKZCCOQLCX-SJLPKXTDSA-N 417.535 1.993 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(Cc2ccccc2F)n1CCCn1cc(CO)nn1 1360478103 FZNGXFWJCLODMR-HNNXBMFYSA-N 412.473 1.920 30 10 HDEE CC1(C)CCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1360813871 FZZWJMMJSUYITG-HTXNQAPBSA-N 422.493 1.888 30 10 HDEE C#CCN1CCC(C(=O)Nc2cc(Br)cnc2N2CCN(C)CC2)CC1 1436264058 LHNKWRLQDQPYGE-UHFFFAOYSA-N 420.355 1.880 30 10 HDEE C#CCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1456082222 HUFQDYALICKHHC-CVEARBPZSA-N 411.524 1.613 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCCc2ccccc2C(=O)OC)c1 1456280760 KAVIDHIAKNTGRB-UHFFFAOYSA-N 400.456 1.357 30 10 HDEE CC(C)OC(=O)C[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(C)C 1461213386 BNLVZQRUHGGWLX-QGZVFWFLSA-N 409.508 1.975 30 10 HDEE N#C[C@@]12CN(C(=O)c3c(F)ccc(Br)c3F)C[C@H]1CS(=O)(=O)C2 1462998660 ORCCCPKKZYWUET-RTHLEPHNSA-N 405.220 1.738 30 10 HDEE C#CCC1(NS(=O)(=O)c2ccc(NS(=O)(=O)CC)c(F)c2)CCOCC1 1464570415 ZNDWLQNMGJWKNW-UHFFFAOYSA-N 404.485 1.438 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1ccc(C)c(N2C(=O)CNC2=O)c1 1466797165 KGLCLOSMFPOGAM-UHFFFAOYSA-N 400.435 1.860 30 10 HDEE CCOc1cc(C(=O)OC)ccc1NC(=O)N(CCC#N)CCN1CCOCC1 1467281748 GMOJXMPTXSMWSZ-UHFFFAOYSA-N 404.467 1.952 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C2(c3cccc(OC(F)(F)F)c3)CC2)CC1 1467814311 KQSDDKDFPXLLSM-UHFFFAOYSA-N 409.408 1.510 30 10 HDEE C#CCN1CCC[C@H](NC(=O)NCCNC(=O)c2cccc(Br)c2)C1 1468513061 SMRUFNBXGYYBLL-INIZCTEOSA-N 407.312 1.576 30 10 HDEE C#CC[C@@H](NC(=O)C1(C2(O)CCN(C(=O)OC(C)(C)C)CC2)CCC1)C(=O)OC 1468876094 VFJCAJOVXDQJDJ-OAHLLOKOSA-N 408.495 1.600 30 10 HDEE COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N(C)C[C@H](O)c1cccc(C#N)c1 1469874888 RBNAPIJDKGTXTQ-SJORKVTESA-N 419.478 1.897 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CCSC)NS(=O)(=O)c1ccc(C)cc1)C1CCOCC1 1470311952 MDSXIYVLXGFPQZ-RTBURBONSA-N 424.588 1.940 30 10 HDEE O=C(NCC#CCO)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 1471153993 YXCQHDPOWAAPNX-UHFFFAOYSA-N 406.291 1.005 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2NC(=O)C[C@H]2c2ccccc2)s1 1472465475 GEZSBUSRRTWZFE-HNNXBMFYSA-N 405.501 1.760 30 10 HDEE N#Cc1ccnc(N2CCN(S(=O)(=O)C[C@H]3COc4ccccc4O3)CC2)c1 1474811773 ANHOJEPPZUGBKX-MRXNPFEDSA-N 400.460 1.245 30 10 HDEE C=C(C)C[C@@H](CO)NC(=O)Nc1ccc(S(=O)(=O)N2C[C@H](C)O[C@H](C)C2)cc1 1475880332 QZNXZSFZNNUCMN-UXLLHSPISA-N 411.524 1.933 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@@H](C)CN2CCOCC2)cc1 1475973450 IOLZGPXQQMIVHE-INIZCTEOSA-N 410.540 1.678 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1 1478283038 RHJRKHANXDAOKJ-CQSZACIVSA-N 408.442 1.756 30 10 HDEE CC/C=C/Cn1c(-c2cccc(C#N)c2)nnc1N1CCN(S(C)(=O)=O)CC1 1499810117 YCNOXOWQOLRDSL-SNAWJCMRSA-N 400.508 1.865 30 10 HDEE CNC(=O)CCCN(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1NC(=O)CC1(C)C 1503792383 FEKSUDJKYAIFFS-KRWDZBQOSA-N 423.521 1.694 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)CC3)n2CCCOCC(F)F)c1 1505316488 DBBSTNRATJAFQA-UHFFFAOYSA-N 404.421 1.815 30 10 HDEE C#CCN(C)c1nnc(C(=O)NC(C)C)n1Cc1cc(OC)c(OCC)c(OC)c1 1507605776 UYRSCXSROLKJBR-UHFFFAOYSA-N 415.494 1.950 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1nnc2n1CCC2)[C@H]1CCS(=O)(=O)C1 1507621536 BQLPPUWAFUIEDW-GJZGRUSLSA-N 417.539 1.004 30 10 HDEE C#CCN(CC#CC)c1nnc(COc2ccccc2F)n1C[C@]1(O)CCO[C@@H]1C 1507676877 RHRHNPZNYMAHBO-VGOFRKELSA-N 412.465 1.999 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2CC(C)(C)N2CCC(OC)CC2)CC1 1507727915 ODYYIFFAIRMFEL-UHFFFAOYSA-N 414.598 1.875 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1507750804 FLMDAKPGDKPDNA-SJORKVTESA-N 405.568 1.842 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(=C)CC1 1507775911 ZJCNIXNCUDUTNC-GFCCVEGCSA-N 404.334 1.953 30 10 HDEE C=CCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCN(C)C(=O)[C@@H]1C 1507941013 CLNIVMVDDMAXCM-HNNXBMFYSA-N 407.482 1.554 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2cc(C)cn2)C1 1508081271 WGHBSQZNFOPEKB-KRWDZBQOSA-N 409.498 1.327 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1508132632 XFYPIQCZCCZOQE-ZBBYCGENSA-N 412.494 1.538 30 10 HDEE C[C@H](C#N)CN(C)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1508424500 MRVYPSISJONJAF-PMPSAXMXSA-N 410.544 1.049 30 10 HDEE CC1(C)CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1510319288 QAQWVBIQXQDCLG-VLGSPTGOSA-N 408.466 1.640 30 10 HDEE CCO[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2CCc2ccc(O)cc2)CCOC1 1516217447 ACFXBZIXDKOOSK-WIYYLYMNSA-N 413.478 1.607 30 10 HDEE COCCN1C[C@H](Cn2c([C@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CC1=O 1519195567 RFTJAOTUBHKSGK-GQIGUUNPSA-N 420.489 1.109 30 10 HDEE Cn1cc(C(=O)OCc2ccc(C#N)cn2)c(CN2C(=O)c3ccccc3C2=O)n1 1528997227 LCPSRIVDOYPIOP-UHFFFAOYSA-N 401.382 1.840 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)NCc2cc(=O)n3ccccc3n2)ccc1F 1530497232 IXROIIBANUHHFS-UHFFFAOYSA-N 416.434 1.228 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C#N)cc2)n1CCCc1cnn(C)n1 1539028875 DPODPSKELWGIHA-INIZCTEOSA-N 404.478 1.948 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OC(F)F)cc1)[C@@H]1CCS(=O)(=O)C1 1539207029 YUHDYNWVUZEYFU-OAHLLOKOSA-N 410.446 1.863 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCOC2)n1Cc1ccc(-n2ccnc2C)nc1 1539417197 YTOBUOHGALYISG-LJQANCHMSA-N 421.505 1.805 30 10 HDEE CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)C1 1539478465 AFHDPAROGNGYDJ-MRXNPFEDSA-N 402.480 1.198 30 10 HDEE C#CCO[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 1540664492 LBLUYVIMHBLAKA-LBPRGKRZSA-N 405.303 1.865 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](C)N2CCOCC2)C1 1540893311 AAAWQNURVDTOSZ-UYAOXDASSA-N 412.538 1.766 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H]2CCC(=O)N2)C1 1540894592 AXPCOUKMSRKXCR-IEBWSBKVSA-N 422.489 1.789 30 10 HDEE COc1cc(COCC(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)ccn1 1543521165 URPBZYVPIVGPGG-UHFFFAOYSA-N 420.473 1.995 30 10 HDEE C[C@@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2CC(=O)N2CCOCC2)C[C@@H](C)O1 1544714626 QEIWQVGDIRHOCT-HZPDHXFCSA-N 410.478 1.289 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCC(C(=O)NCCCO)CC2)CC1 1545667225 NPKHGAWSOPFYTF-UHFFFAOYSA-N 421.538 1.374 30 10 HDEE COCCCn1c(-c2csc(N3CCOCC3)n2)nnc1N1CC[C@](F)(C#N)C1 1555495025 LGHWTPGSSRLFMC-SFHVURJKSA-N 421.502 1.717 30 10 HDEE C=CCC[C@H](NC(=O)c1cccc(CN2CCS(=O)(=O)CC2)c1)C(=O)OCC 1556642791 XJZJXNNLRMTPPB-SFHVURJKSA-N 408.520 1.545 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2ccc(NS(=O)(=O)C(C)C)c(F)c2)nn1 1561675869 WUOWYHZOPBKTLA-UHFFFAOYSA-N 417.488 1.232 30 10 HDEE CCOC(=O)CS[C@H](CNC(=O)N1CCN(C2CC2)[C@@H](C#N)C1)C(F)(F)F 1565253671 QOKCIWPDVIJFBR-QWHCGFSZSA-N 408.446 1.595 30 10 HDEE C#CCN1CCCN(C(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc(C)cc2)CC1 1565815440 GFMWPGMCQYPHTO-FQEVSTJZSA-N 405.564 1.856 30 10 HDEE COc1cc(OC)cc(N2CC[C@@H](N(C)C(=O)c3nc(O)c(C#N)cc3C)C2=O)c1 1566240567 LQAIRWXCQQZTDJ-QGZVFWFLSA-N 410.430 1.862 30 10 HDEE COC(=O)C[C@@H](C)N1CCN(C(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 1566251876 RXANCPQXLXHBHZ-QGZVFWFLSA-N 421.538 1.733 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 1570419446 CJEGUODJQFZSTH-SFTDATJTSA-N 410.518 1.765 30 10 HDEE COc1ccc(C(=O)NCCn2cc(C#N)c(O)nc2=O)c(OCCOC(C)C)c1 1585296016 NFLQLIPATFTSAU-UHFFFAOYSA-N 416.434 1.063 30 10 HDEE CC[C@@H](C#N)N(CC)C(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O 1585342317 FOMYUCTWRLSONQ-LSDHHAIUSA-N 405.476 1.774 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@H](NS(C)(=O)=O)C1 1585857367 GOQISCQLQZGYIE-UONOGXRCSA-N 402.517 1.114 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN(C(=O)COC)CC1 1587865506 QLRLLHDVIVQZOL-UHFFFAOYSA-N 417.460 1.856 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1C[C@H](CC)O[C@H](C)C1 1588986017 XZXXMWJQJITRNK-ILXRZTDVSA-N 415.585 1.258 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(COCC)nnc1N1CCN(CCOC)C(=O)C1 1589569234 OFQJACOOJWVQND-LPHOPBHVSA-N 407.515 1.091 30 10 HDEE C=C(C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C[C@@H](O)c2ccccc2)CC1 1593625124 LAYVFIPDVGCFPI-RTBURBONSA-N 410.522 1.661 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1593730291 VVGFIWGGOSFHKO-INIZCTEOSA-N 408.528 1.285 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](CN2CCOCC2)C1 1593747546 YPFQYVRMGSTXQE-RBUKOAKNSA-N 405.543 1.533 30 10 HDEE C=CCn1c(N2CCO[C@H](Cn3cc(C)cn3)C2)nnc1[C@]1(OCC)CCOC1 1595460956 JJVWFQVYNWVCSB-PXNSSMCTSA-N 402.499 1.527 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CC[C@@](C)(C(N)=O)C1 1595773310 XGJXLKPHQWFBIA-GOSISDBHSA-N 407.496 1.149 30 10 HDEE O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1Cc2cc(Br)cnc2NC1=O 1603401956 OBMBSHJNUCWWRH-ZDUSSCGKSA-N 414.215 1.604 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnccn2)n1CC[C@H](C(F)F)N1CCOCC1 1611303670 RGBAYKGDXSAENN-GDBMZVCRSA-N 420.468 1.829 30 10 HDEE Cc1c(Cn2c(N3CCO[C@@H](C#N)C3)nnc2[C@]2(OC(C)C)CCOC2)cnn1C 1611892241 RVUPNUUKDVWWEI-PXNSSMCTSA-N 415.498 1.138 30 10 HDEE CC[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C#N)ccn2)CC1)OC 1613641044 HZPPAWUHNJXRHD-MSOLQXFVSA-N 411.510 1.800 30 10 HDEE CCN(CCS(C)(=O)=O)c1nnc(-c2cnn(C)c2)n1Cc1ccc(C#N)o1 1615667848 OVMHAIDQEOJTFL-UHFFFAOYSA-N 403.468 1.062 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCC(N3CC[C@@H](O)C3)CC2)cc1 1622886855 WFJLMEVAJRQYJE-GOSISDBHSA-N 422.551 1.556 30 10 HDEE CN(CCN(C)c1ccc(S(N)(=O)=O)cc1)C(=O)C1(c2ccc(C#N)cc2)CC1 1625113168 HKWBPYHQVWEJCP-UHFFFAOYSA-N 412.515 1.832 30 10 HDEE CC[C@](NC(=O)CCn1cc(C#N)c(O)nc1=O)(C(=O)OC)c1ccc(Cl)cc1 1627287166 ICOBQCGREASZQZ-LJQANCHMSA-N 418.837 1.459 30 10 HDEE N#Cc1ccc(OCC(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1Br 1629947416 BRERAOBXRWPACN-APPDUMDISA-N 421.251 1.194 30 10 HDEE COCCn1cc(N2C[C@H](C(=O)N3CCC(c4ccc(C#N)cn4)CC3)CC2=O)cn1 1633498548 INCKWBNJTWSOTL-GOSISDBHSA-N 422.489 1.555 30 10 HDEE CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1ccc(Br)cc1C#N 1634789522 BDPDLOKTSLKANC-YGRLFVJLSA-N 400.298 1.768 30 10 HDEE C#CCN(C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1634818743 UUOOPBBPAIHCPV-OAHLLOKOSA-N 415.494 1.624 30 10 HDEE C=CC1(CC(=O)N2CC[C@@H](OCCN3CCOCC3)C2)CN(C(=O)OC(C)(C)C)C1 1635681699 VMOTZARWSRBMEN-GOSISDBHSA-N 423.554 1.749 30 10 HDEE C#CCn1cc(CNC(=O)c2ccc3ncc(I)n3c2)cn1 1635749262 HHQCCLNJXRJDRD-UHFFFAOYSA-N 405.199 1.699 30 10 HDEE Cc1nsc(N2CCN(C(=O)N[C@H]3Cc4ccccc4N(C)C3=O)CC2)c1C#N 1636848586 JVYVVRCAWUPFMD-INIZCTEOSA-N 410.503 1.743 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 1637478985 BPRCHWHOPMBQEZ-IHRRRGAJSA-N 406.932 1.915 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](CO)c2ccc(OC)cc2)cc1 1637628728 WHMLZFOMUJVARB-KRWDZBQOSA-N 404.488 1.665 30 10 HDEE CS(C)(=O)=NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1 1638598454 HJQWNAOIRWWTML-ZBFHGGJFSA-N 402.476 1.156 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)CC1 1640202315 YDFJICYEZNEIBR-INIZCTEOSA-N 408.543 1.210 30 10 HDEE C#C[C@H]1COCCN1C(=O)[C@H](CN(C)Cc1ccccc1)NC(=O)OC(C)(C)C 1642430366 LKNQWVGNIVDZFQ-OALUTQOASA-N 401.507 1.872 30 10 HDEE C#CC[C@@H]1CCCN(C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c2ccc(C)c(C)c2)C1 1643533665 YAFUOZGPHQXHMF-MJGOQNOKSA-N 419.547 1.478 30 10 HDEE Cc1csc(C[C@H]2CCCN(C(=O)C/N=C3/NS(=O)(=O)c4ccccc43)C2)n1 1644879199 CPULQUKLDLKAEK-CQSZACIVSA-N 418.544 1.971 30 10 HDEE CSc1nc(O)c(C(=O)N2CCC[C@](CO)(NC(=O)OC(C)(C)C)C2)cc1C#N 1645922691 AZWGCXWTCWUDLT-IBGZPJMESA-N 422.507 1.873 30 10 HDEE CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)CC1=O 1648719444 NLLRIXGZDZQXCN-YCRNBWNJSA-N 409.534 1.798 30 10 HDEE Cc1noc(C)c1COc1ccccc1C(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1 1648787592 SQGDXXJXKGNHHH-UHFFFAOYSA-N 421.413 1.702 30 10 HDEE N#Cc1ccc(CC(=O)CSc2nnc(CCC(N)=O)n2C[C@@H]2CCCO2)cc1 1656198015 ZPSLULFRULEVNZ-KRWDZBQOSA-N 413.503 1.651 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 1659906882 PGXIJTNIABMMLQ-UHFFFAOYSA-N 404.458 1.357 30 10 HDEE CC(=O)NCCN([C@@H](C)C(=O)OC(C)(C)C)S(=O)(=O)c1ccccc1CC#N 1663314890 GGDJFMKQZRLFLJ-AWEZNQCLSA-N 409.508 1.610 30 10 HDEE C#CC[C@@H](CCOC)NS(=O)(=O)c1cc(Cl)cc(C(=O)N(C)C)c1OC 1664765168 ZWJXZEGCMFHXRY-ZDUSSCGKSA-N 402.900 1.757 30 10 HDEE C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2C#N)CCN1CC(C)(C)O 1668625543 DKNMLSUQGXQWES-LBPRGKRZSA-N 416.341 1.786 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(C(=O)OC)cc1OCC(=O)NC)C1CCOCC1 1672344599 VNGOJDDLOPMTEH-HNNXBMFYSA-N 403.435 1.148 30 10 HDEE COc1ccccc1-c1ccnc(C2CCN(C(=O)NCC(=O)NCC#N)CC2)n1 1672533526 TYMSYDKVZWBLRX-UHFFFAOYSA-N 408.462 1.681 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)n1 1673676107 BAWCCBJNZIEBRI-IBGZPJMESA-N 413.453 1.619 30 10 HDEE N#Cc1cccnc1OC1CCC(NC(=O)NCCS(=O)(=O)N2CCCC2)CC1 1681580387 ABGNEVDWKGWRLW-UHFFFAOYSA-N 421.523 1.368 30 10 HDEE C#CCN(C)CCCNC(=O)NCc1cccc(N2C(=O)NC3(CCCC3)C2=O)c1 1682964881 ZKQCKUINRHFNMY-UHFFFAOYSA-N 411.506 1.810 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 1684077725 KBZJCIRFHGQTPZ-FQEVSTJZSA-N 409.534 1.001 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCc3cc(OC)c(OC)c(OC)c3CC2)C1 1685177266 PFEKRCFKUABHFT-KRWDZBQOSA-N 401.507 1.920 30 10 HDEE CS(=O)(=O)Cc1n[nH]c(CNC(=O)N2CCC[C@@H]2[C@@H](C#N)c2ccccc2)n1 1685411561 JTGOPYHLKPHBFC-LSDHHAIUSA-N 402.480 1.331 30 10 HDEE CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](NC(=O)N2CCN(CCC#N)CC2)C1 1686487192 LCHJTQSHGPNAFY-CQSZACIVSA-N 401.458 1.872 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@@H]21)C1CCN(C(=O)c2snnc2C)CC1 1689682463 JKGQWXWJHGLPQM-ALYAQQCSSA-N 400.504 1.336 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1CC1([S@@](C)=O)CC1 1689861543 WUJUCXZVDIFJNT-JGTBNHKDSA-N 405.549 1.639 30 10 HDEE C#CCN(c1nnc(Cc2ccccn2)n1CCC(C)(F)F)[C@H]1CCS(=O)(=O)C1 1689991888 DNAHXEXQPNJCSN-INIZCTEOSA-N 423.489 1.936 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ncnn1C(C)(C)C 1690077749 VXYIQNOXRNHGAZ-CQSZACIVSA-N 405.528 1.035 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2OC)n1Cc1ccc(C(N)=O)nc1 1690080164 IYRNECOBUHGOLM-UHFFFAOYSA-N 404.474 1.879 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cccnc2OC)CC1 1690146652 SXTVPLFKHOYJCW-GOSISDBHSA-N 424.505 1.200 30 10 HDEE C=CCCCn1c(Cc2csc(C)n2)nnc1N1CCN(CC(=O)NCC)CC1 1690489015 XSNMFHRFADJCJX-UHFFFAOYSA-N 417.583 1.858 30 10 HDEE C=CCCOCCn1c(CC(C)C)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1 1690508467 JRPYSPLEWKOPEI-GOSISDBHSA-N 405.543 1.897 30 10 HDEE C=CCN(c1nnc(CNC(=O)c2cccs2)n1C[C@@H]1COCCO1)C1CC1 1690550329 UQJZCJKERYTFJN-OAHLLOKOSA-N 403.508 1.840 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(F)(F)F)C1 1690672990 KHOLAIOPGYTRBC-CQSZACIVSA-N 410.400 1.334 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccn2)nnc1N1CCOC[C@H](C2CCC2)C1 1690673243 RTHCGONKGRPQRB-GOSISDBHSA-N 410.522 1.819 30 10 HDEE CC[C@H](C)N(C)CCn1c(-c2noc3c2COCC3)nnc1N1CCO[C@H](C#N)C1 1694201520 LBEKOYISAGEKIZ-LSDHHAIUSA-N 415.498 1.465 30 10 HDEE CCN(CC1CCC1)c1nnc(-c2cnn(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1695710715 MYBNIRONXFPTMF-ZZEZOPTASA-N 424.509 1.831 30 10 HDEE CCOCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1CCCNc1ccccn1 1696336894 LBNASADNJNPAQK-SFHVURJKSA-N 410.526 1.888 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@]1(C)CN(C)C1=O 1698149954 NHXVCOGTZIZPOO-CDHQVMDDSA-N 404.515 1.610 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OCCCC)c(OC)c2)n1Cc1nnn(C)n1 1705547639 LCWSHDGUAIGIQX-UHFFFAOYSA-N 410.482 1.774 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1705567477 WTGCHXMFCNUIDC-BRWVUGGUSA-N 406.552 1.845 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1cccc(CN(C)C)c1 1705603956 BDOLKCKVFYSQGJ-INIZCTEOSA-N 418.567 1.458 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC2(N(C)C)CCCC2)CC1 1705639835 XLRBGBDFPLSOMI-LJQANCHMSA-N 400.571 1.802 30 10 HDEE C#CCN1CCN(c2nnc(Cc3cccnc3)n2CC2(N(C)C)CCOCC2)CC1 1705640842 ICFSAVKZSLTYNK-UHFFFAOYSA-N 423.565 1.130 30 10 HDEE C#CCSCCn1c(C)nnc1N1CCN(C[C@@H]2CN(C(C)C)CCO2)CC1 1705653970 UNFOKSNBLHRZPM-LJQANCHMSA-N 406.600 1.184 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1705752640 BWBKTJYSLMOLBK-HNNXBMFYSA-N 421.933 1.710 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCOC[C@@H]1C 1705898630 RWOPEQULCZXFRG-HNNXBMFYSA-N 415.494 1.880 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@](C)(O)C(C)C)C1 1705917736 ZCRLXWDPRAJNEO-HDMKZQKVSA-N 415.560 1.077 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@@H](C)CC#N)n1C[C@H]1CCn2ccnc2C1 1706850526 SYFKJJZNFUFWRU-KKUMJFAQSA-N 420.543 1.086 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1c1nnc(C2CC2)n1CCOCC(F)F 1708153191 LVUURSMULKMVCI-ZDUSSCGKSA-N 418.452 1.814 30 10 HDEE CCO[C@]1(c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H]2NC(=O)CC2(C)C)CCOC1 1710423858 LIUFUDULFIJQNJ-AUSJPIAWSA-N 404.515 1.441 30 10 HDEE COC[C@@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CCO[C@H](C#N)C1)OC 1712149859 HDYRFZVSMMLDBT-HZPDHXFCSA-N 423.420 1.937 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CC[S@](=O)C(C)(C)C 1712565159 BQRHVLUJCDWSAH-XAZSVGOPSA-N 413.544 1.278 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCCC[C@H]1C 1722276212 HUQQRBRGLXOQRA-BBWFWOEESA-N 410.588 1.611 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1C[C@H]1CCCN1S(C)(=O)=O 1722287927 STFKYVFJJAWCSE-JKSUJKDBSA-N 417.535 1.836 30 10 HDEE C#CCCCn1c([C@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)CC1 1722328466 VILBXTSMWRUQGI-KRWDZBQOSA-N 401.515 1.476 30 10 HDEE C#CCN(c1nnc(-c2ccccn2)n1Cc1ccc(O)cc1)[C@@H]1CCS(=O)(=O)C1 1722360724 JFRJCMIBWFMCGF-QGZVFWFLSA-N 423.498 1.721 30 10 HDEE C#CCN(c1nnc(COCC)n1CC1(N(C)C)CCCC1)[C@@H]1CCS(=O)(=O)C1 1722370011 JZKDQAUWRDSQKY-QGZVFWFLSA-N 423.583 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1C 1722397491 QVPOFCGREYCRLN-FGTMMUONSA-N 404.536 1.316 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H]2COCCO2)CC1 1722434453 PUGWROKYSNAOLI-KRWDZBQOSA-N 416.913 1.554 30 10 HDEE C=C(Cl)Cn1c(-c2noc3c2COCC3)nnc1N1CCN(C(=O)OC)CC1 1722550570 MQYSLPCIQSKPSJ-UHFFFAOYSA-N 408.846 1.647 30 10 HDEE C=CC1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)C(C)(C)C)CC1 1722582123 LENNPXPFHQNDQH-INIZCTEOSA-N 423.583 1.745 30 10 HDEE C=CCCCn1c(N2CCN3C(=O)OC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1722622370 JAUDZEGWEIEWME-JXFKEZNVSA-N 405.499 1.926 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CCS(=O)(=O)CC1 1722695416 BVKNYBORWMYDFK-UHFFFAOYSA-N 409.899 1.136 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N(C)C[C@@H](C)C#N 1722730237 MHSATSMPDWNOEK-AWEZNQCLSA-N 405.528 1.336 30 10 HDEE C=CCSCCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)NC)CC1 1722742301 OXOUXHGUVXYUMR-UHFFFAOYSA-N 401.540 1.645 30 10 HDEE CN(Cc1ccc(C#N)cc1)c1nnc(C2CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1729396258 BFLOTMMJFWHSBM-KRWDZBQOSA-N 414.535 1.945 30 10 HDEE CN(CCN1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CC=CCO1 1729541783 BWYZOGIFOFMJBE-HXUWFJFHSA-N 408.506 1.930 30 10 HDEE CNC(=O)C(C)(C)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(C#N)c1 1729612358 HIACGNWQVSSESE-INIZCTEOSA-N 409.494 1.509 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(OC)nc1 1730953911 BWMCAZFTSZFQKA-JZXOWHBKSA-N 414.466 1.183 30 10 HDEE C#CCCCn1c(C(=O)NC(CC)CC)nnc1N1CCN(C(=O)C(C)C)CC1 1740578447 AZIKIEGOUBKZDF-UHFFFAOYSA-N 402.543 1.915 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1ccc(F)cc1 1740630496 IWDGHGZXSLPCOX-HZPDHXFCSA-N 417.510 1.904 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC2(N(C)C)CCC2)CC1 1740704381 NFNIHCNEMJPVPL-UHFFFAOYSA-N 423.565 1.734 30 10 HDEE C=CCSCCn1c(CN2CCCC2=O)nnc1N1C[C@@H]2CCC[C@H](C1)C2O 1741006139 YSPKTLJGXFYMRM-MCPYQZEQSA-N 405.568 1.917 30 10 HDEE CC1(C)CC(=O)N[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N1CCC(CC#N)CC1 1741992656 CCTAZGFVLLKHCM-MRXNPFEDSA-N 413.526 1.559 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)c(C)c1 1742223564 ICSIABVYFZBZKC-NVXWUHKLSA-N 418.523 1.282 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)cc1 1748667089 MZHKPCTWSVFGDM-LPHOPBHVSA-N 408.506 1.572 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2noc3c2COCC3)n1C[C@](C)(O)c1ccco1 1748887477 ADPHWDZHASATFX-QFIPXVFZSA-N 421.457 1.969 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CC(C)(C)OC)CC1 1748990669 ZPGZTZOALFHRQS-IBGZPJMESA-N 411.506 1.971 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2ccc(C(N)=O)cc2)CC1 1748990840 MLAPDPBLTWXHHZ-IBGZPJMESA-N 408.506 1.422 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H]2CCOC[C@@H]2OC)CC1 1749001117 IXFWXLCSYURNHT-ROUUACIJSA-N 417.554 1.593 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H](C)CC)n2C[C@]2(C)COCCO2)CC1 1749005029 QZSBUVBDTNCBIY-HRAATJIYSA-N 403.527 1.563 30 10 HDEE COc1ccccc1O[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1749074158 APHWEMWWDPYUSK-NVXWUHKLSA-N 423.477 1.883 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)CCCOC 1749653167 XGJSBLDDUFQRBE-UHFFFAOYSA-N 411.304 1.811 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N(C)[C@H]1CCN(Cc2ccccc2)C1 1749670398 SQVSDZIPKCIAOI-PMACEKPBSA-N 424.549 1.795 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)N2CCCC2)n1CCc1nnc(C)s1 1749821486 AVZMDIYNDYJUEK-UHFFFAOYSA-N 418.527 1.283 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)c2ccccc2)C1 1750378241 FOWBDCITHKALFF-HNAYVOBHSA-N 419.482 1.698 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(Cl)nc1 1751208385 WPYCXDVRUPCXJF-NWDGAFQWSA-N 411.919 1.723 30 10 HDEE C[C@H]1CN(C)C(=O)CN1c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CC(F)(F)CO1 1752269880 BCOWUXGVXVJDRL-BBRMVZONSA-N 416.432 1.908 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)c(OC)c2)n1Cc1nnnn1CC1CC1 1760105246 MSTSMPBGMCMVFB-AWEZNQCLSA-N 422.493 1.865 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(Cn2cccn2)cc1 1760113992 DNLSCUIOHDVLRX-LPHOPBHVSA-N 403.490 1.980 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC)CC1 1760155428 XXMWWVRHIHEHLV-KRWDZBQOSA-N 409.556 1.651 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCNc1ccccn1 1760223819 NOGMFSYAYJJHLL-UHFFFAOYSA-N 405.506 1.761 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2OCC[C@H]2COC)nnc1N(C)C[C@@H]1CCCCO1 1760530372 OORILAKRSOHOIB-BQFCYCMXSA-N 407.515 1.310 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@@H](C#N)C1 1760684447 AKCILNUUSNYPLV-KRWDZBQOSA-N 402.430 1.251 30 10 HDEE CC(C)O[C@@]1(c2nnc(N(C)[C@@H](C)CC#N)n2CCC2(O)CCOCC2)CCOC1 1761273814 IAKXXFRYYFPCNG-UWJYYQICSA-N 421.542 1.989 30 10 HDEE CCN1CCCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1765466726 LWVWPWUISLOEAE-MANSERQUSA-N 418.542 1.605 30 10 HDEE CN(CCOCC1CC1)c1nnc(C(C)(C)C)n1CCN/C(O)=C1/N=CC=CC1=O 1768967026 HIRSJENEIMINAW-ZCXUNETKSA-N 416.526 1.965 30 10 HDEE COCCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@H]1CCC2(C1)OCCO2 1769836947 HEGOSGDHCPMKAM-INIZCTEOSA-N 420.514 1.326 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1CCN(C)C1CCCC1 1770049527 CNKVTZMSCYMSPM-WMZOPIPTSA-N 406.531 1.605 30 10 HDEE COCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)C[C@@H]1C 1771137614 CUVCEZCVXHTWPH-INIZCTEOSA-N 421.509 1.150 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N(CCOC)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1772665320 ZOPCKCQISKWBGL-MIDILNBFSA-N 418.534 1.467 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)c3nccnc3N3CCOCC3)CC2)c1 1849812070 IXGFXZRGEWHFKR-UHFFFAOYSA-N 408.462 1.511 30 10 HDEE CS(=O)(=O)N1CC(C(=O)OC[C@H](C#N)Cc2ccc(Br)cc2)C1 1850563214 VJDXMNBXMILEKC-LBPRGKRZSA-N 401.282 1.566 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CCN(c3nc4c(F)cccc4s3)CC2)C1=O 1853956733 DMGBECSVUFJCQZ-CQSZACIVSA-N 401.467 1.989 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCCCN(C(=O)Cc2ccccc2OC)C1=O 1854131808 SCEWRPQZBIQVIZ-MOPGFXCFSA-N 413.518 1.864 30 10 HDEE CC(=O)CCC(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)cc3F)C2)CC1=O 1854195530 GAJLVFMTQJLESU-GOSISDBHSA-N 400.454 1.312 30 10 HDEE C=CCCN(C)[C@H]1CCCN(C(=O)C[C@H]2CSc3nc(C)c(C)c(=O)n32)C1=O 1854660681 VQXKGNINUXYMOR-HOTGVXAUSA-N 404.536 1.923 30 10 HDEE C=C1CCCN(C[C@@H]2CC(=O)N(C(=O)[C@@H]3CCCN(S(=O)(=O)C4CC4)C3)C2)CC1 1855596291 HVKAJLIVTOUSIT-ZWKOTPCHSA-N 423.579 1.608 30 10 HDEE C[C@H]1C(=O)N(C(=O)C2CC3(CCC3)C2)CCN1S(=O)(=O)c1ccccc1C#N 1855739810 GNAOTIWHGLAFSF-AWEZNQCLSA-N 401.488 1.887 30 10 HDEE Cc1nc([C@@H]2CC(F)(F)CN2C[C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)no1 1855977774 JVKWMQSQGAQVGY-WFASDCNBSA-N 416.388 1.716 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)c1ccc(OC)nn1 1856095445 DWWVFTCBKMQSBL-UHFFFAOYSA-N 416.459 1.411 30 10 HDEE C=CCCN(C)S(=O)(=O)c1ccc2c(c1)CC(=O)N2C(=O)COc1cccnn1 1856119521 POWGFXBCNNWHCT-UHFFFAOYSA-N 416.459 1.168 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC(COc4cnccn4)CC3)C2=O)c1 1856436895 SWZYICOBNMRWMU-LJQANCHMSA-N 405.458 1.880 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@H](N3CC[C@H](S(=O)(=O)c4ccccc4)C3)C2=O)c1 1856463575 IUOCQBFTYGSWIR-PMACEKPBSA-N 423.494 1.848 30 10 HDEE C=CCNC(=O)[C@H](Cc1ccc(OC(C)=O)cc1)NC(=O)[C@H]1CC(=O)N(C(C)C)C1 1861614319 AVGSLYRNXMOFQK-HKUYNNGSSA-N 415.490 1.198 30 10 HDEE C[C@H](C(=O)O)N(CCC#N)C(=O)c1c[nH]c2ccc(N3CCN(C)CC3)cc2c1=O 1866443102 WJRYYQHKQOLTHS-CQSZACIVSA-N 411.462 1.109 30 10 HDEE CCN1CCN(CC#CCOC2CCN(C(=O)c3nn(C)c4c3CCC4)CC2)CC1 1889261528 BIMDIILEJODJIF-UHFFFAOYSA-N 413.566 1.171 30 10 HDEE COc1ccc(OC)c(-c2cc(C(=O)N(C)C3CN(c4nccnc4C#N)C3)n[nH]2)c1 1891478229 VQONCGNOIIDQGN-UHFFFAOYSA-N 419.445 1.716 30 10 HDEE C[C@@H](OCc1ccccc1)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CS)C(=O)O 1892297243 OBGFNVYAQHEDNK-VHDGCEQUSA-N 412.508 1.984 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](CO)NCc1ccc(B2OC(C)(C)C(C)(C)O2)cc1 1985778725 CNXBVNWMQBRPIX-QGZVFWFLSA-N 406.332 1.961 30 10 HDEE C#CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCn1cc(Br)nn1 2017700373 MIIVFPSCYPLBAK-LLVKDONJSA-N 400.277 1.464 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1[C@H](NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@H]21 2174781139 CEJCQIFPNRIUPZ-YIDVYQOGSA-N 401.529 1.772 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CNS(=O)(=O)N1CCC(C#N)CC1)CC(F)(F)F 2174785795 CMSKHOQGCIYTSL-LBPRGKRZSA-N 414.450 1.902 30 10 HDEE CSC1(C#N)CCN(C(=O)[C@H](NC(=O)OC(C)(C)C)C2CS(=O)(=O)C2)CC1 2197526771 XZOHQILOMGXSNF-CYBMUJFWSA-N 417.553 1.172 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)NC(=O)c1ccoc1B1OC(C)(C)C(C)(C)O1 2243405279 CNLIILZWGMNYHV-LBPRGKRZSA-N 410.276 1.194 30 10 HDEE C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247825525 FXYIGQSFSKAPEW-GXTWGEPZSA-N 420.319 1.837 30 10 HDEE C[C@H]1CN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C[C@H]1NC(=O)OC(C)(C)C 2247826210 QAITXCGJTRAFDM-GXTWGEPZSA-N 420.319 1.694 30 10 HDEE CN(C(=O)OC(C)(C)C)C1CN(C(=O)c2ncncc2B2OC(C)(C)C(C)(C)O2)C1 2247856736 MTXLZGNWPRBUMS-UHFFFAOYSA-N 418.303 1.467 30 10 HDEE C[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(B2OC(C)(C)C(C)(C)O2)n1 2248411722 BGWHMLOYOLVMDV-IUODEOHRSA-N 421.303 1.593 30 10 HDEE C=CCCC1(C(=O)N2CCC[C@H](S(N)(=O)=O)C2)CN(C(=O)OC(C)(C)C)C1 2280945603 YHAVKWDHNKNFDL-AWEZNQCLSA-N 401.529 1.469 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@@H](O)C2CCC2)sc1B1OC(C)(C)C(C)(C)O1 2282310089 PEJRGLABNSOHDF-CYBMUJFWSA-N 401.359 1.795 30 10 HDEE CC[C@@H]1CN(S(=O)(=O)c2cc(C)c(B3OC(C)(C)C(C)(C)O3)s2)C[C@H]1O 2282326190 OWQUOUNPDXMYPZ-CHWSQXEVSA-N 401.359 1.747 30 10 HDEE C[C@@H]1C[C@H](O)[C@@H](C)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282329558 ODTOFPICDWXUTD-BZPMIXESSA-N 401.359 1.827 30 10 HDEE CN(C)[C@H]1CCC[C@H]1NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282338591 SDWVFXUVSKEGCM-OLZOCXBDSA-N 400.375 1.808 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(C)COCCO3)s2)OC1(C)C 2282342415 HIMJOXHQUKPKPN-MRXNPFEDSA-N 403.331 1.131 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NCCN3CCC3)c(Cl)c2)OC1(C)C 2282493318 SNSAVURCNXPZBK-UHFFFAOYSA-N 400.737 1.623 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@H]2CC[C@@H](N)C2)OC1(C)C 2282493428 UGXZGDYRZOFWHW-NEPJUHHUSA-N 400.737 1.797 30 10 HDEE C[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282496300 YPFKHAWLNXXPNU-VXGBXAGGSA-N 401.721 1.783 30 10 HDEE COC1(CN(C)S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)CC1 2282499424 OYEZYCVBVOGHSP-UHFFFAOYSA-N 401.359 1.988 30 10 HDEE COC1(OC)CC[C@@H]1NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282503261 XIMVNPGTBGRDPR-ZDUSSCGKSA-N 403.331 1.477 30 10 HDEE C[C@@H]1C[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)CN1C 2282505819 JPAGUJPOOFIFRD-CHWSQXEVSA-N 400.375 1.666 30 10 HDEE CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282688741 YPENMSZOAHUIGL-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE C[C@H](O)[C@@H]1CCCN1S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282845346 QVDXPHLHDAZDTA-JSGCOSHPSA-N 401.359 1.722 30 10 HDEE CCCS(=O)(=O)CCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282871762 LPQJXHJZMVPYBB-UHFFFAOYSA-N 423.387 1.150 30 10 HDEE CC1(C)OB(c2ccc(C(=O)NCCCS(N)(=O)=O)c(Cl)c2)OC1(C)C 2282878051 ALOFNSXCNCTPFQ-UHFFFAOYSA-N 402.709 1.048 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC3(C(=O)O)CC3)c(Cl)c2)OC1(C)C 2284394577 ZYVZIPCXBFWAHP-UHFFFAOYSA-N 401.677 1.535 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@]3(C)CCC[C@H]3O)s2)OC1(C)C 2286913145 KTZOEKGNSVGSSS-PXAZEXFGSA-N 401.359 1.877 30 10 HDEE CC(C)(C)OC(=O)N[C@H](Cc1ncns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c1cncs1)NC(=O)OC(C)(C)C 2367804893 XJYZPSUSLZKGQI-HUUCEWRRSA-N 413.565 1.748 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H](O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 2367812242 QWPYIZXHCJTOLB-JYJNAYRXSA-N 400.541 1.163 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1[C@H](O)C(=O)C#CC1(S(C)(=O)=O)CC1 2367842745 HIRCNGZUGOUMOH-YPMHNXCESA-N 407.435 1.142 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N(C)[C@@H]1CNC[C@@H]1F 2369653522 AYWQFCHVZYNYIH-NWDGAFQWSA-N 404.338 1.286 30 10 HDEE C=CC1(N[C@@](C)(C(=O)O)[C@H]2CCCS(=O)(=O)C2)CN(C(=O)OC(C)(C)C)C1 2377234176 PQTMNSYUIFCVOM-SUMWQHHRSA-N 402.513 1.420 30 10 HDEE C=CCOC(=O)[C@H]1C[C@@H](C(=O)OCC=C)[C@@H](C(=O)OCC=C)[C@@H]1C(=O)OCC=C 16998693 QVZPWALKADPJDG-YYIAUSFCSA-N 406.431 1.772 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC[C@H](C(=O)N2CCOCC2)C1 46326950 UKCFEPYVYVEDGR-SFHVURJKSA-N 401.511 1.444 30 10 HDEE CNC(=O)c1ccc(S(=O)(=O)N(CCN(C)C)Cc2cccc(C#N)c2)cc1 65975206 HQRQWPPLPIIUFQ-UHFFFAOYSA-N 400.504 1.670 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC#Cc2ccc(C(N)=O)cc2)cc1 96348077 UYKKQKQZKJADRT-UHFFFAOYSA-N 413.499 1.598 30 10 HDEE CCCCCCCCN1C(=O)/C(=C(/C)N[C@@H]2CCS(=O)(=O)C2)C(=O)NC1=S 97981144 OUCUXFBPRKMBOI-JNINTMOKSA-N 415.581 1.641 30 10 HDEE C#CCN(CC(=O)NCC1(c2ccc(F)cc2)CCCC1)[C@@H]1CCS(=O)(=O)C1 111192159 KAWQOBGGZHKOFD-LJQANCHMSA-N 406.523 1.876 30 10 HDEE C#CCN(CC(=O)N1CCC[C@@H]1c1cc(OC)ccc1OC)[C@H]1CCS(=O)(=O)C1 250378293 KBRPEVUHSTWCIL-QFBILLFUSA-N 420.531 1.490 30 10 HDEE COc1ccc(CN2C(=NC(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OC 254428877 PISDFKBJTJLVJV-BBRMVZONSA-N 410.517 1.711 30 10 HDEE CN(C)c1ncc(CN(C)S(=O)(=O)c2ccc(C#N)c(Br)c2)cn1 433874811 MAKSDDLWAZIHBV-UHFFFAOYSA-N 410.297 1.997 30 10 HDEE CC(C)c1cc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)no1 438521852 CYUUBCKRXZJVSQ-UHFFFAOYSA-N 403.464 2.208 30 10 HDEE CCOC(=O)CC1(NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)CCCC1 468829506 FJZFDVBPYOTKJM-CQSZACIVSA-N 407.492 1.607 30 10 HDEE C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1S(=O)(=O)Cc1ccc(C#N)cc1F 478150138 NOYBTDHXOGHRNV-NSHDSACASA-N 409.464 1.626 30 10 HDEE CC(C)n1ncc2c1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CC2 481448963 NZIRKBYFWQTBLE-WMLDXEAASA-N 415.519 1.676 30 10 HDEE Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(Oc2ccc(C#N)cc2)CC1 508160141 NTODWLLJAYJONH-HNNXBMFYSA-N 401.492 1.637 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(C(=O)c2c(F)cccc2F)CC1 508865197 SYALSAZDYQVYPQ-MRXNPFEDSA-N 419.432 1.793 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[S@@](=O)C(CC)(CC)C1 508886211 YDFXIXKYAONHJE-DLUDVSRJSA-N 400.570 1.494 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(Cc2csc(CC)n2)CC1 508920030 IMCNMONMZVGESR-INIZCTEOSA-N 404.540 1.893 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NCc3cccnc3N3CCN(C)CC3)cc2C1=O 508952416 UUZVJRPMSMEIDH-UHFFFAOYSA-N 419.485 1.545 30 10 HDEE N#Cc1ccc(CS(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 510606927 SSJKSFVGIGGFOF-QGZVFWFLSA-N 417.462 1.797 30 10 HDEE N#Cc1cc(F)c(S(=O)(=O)N[C@@H]2CCN(C(=O)COc3ccccc3)C2)c(F)c1 510648489 RKACTGFUMGVWGT-CQSZACIVSA-N 421.425 1.795 30 10 HDEE COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)NCc2ccc(C#N)c(OC)c2)c1 517629696 AIKHKCQPUXUXRS-UHFFFAOYSA-N 418.427 1.619 30 10 HDEE Cc1ccc(F)c(-n2c(=C(C#N)C(=O)C3CCC3)sc(=Cc3ccnn3C)c2=O)c1 522673305 FSIGTDUEEGDOKT-UHFFFAOYSA-N 422.485 1.952 30 10 HDEE COC(=O)c1cc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc(C(=O)OC)c1 523619128 KYFCIXZOHZCJMG-UHFFFAOYSA-N 423.429 1.881 30 10 HDEE N#CCCNS(=O)(=O)c1ccc(C(=O)NCCOc2ccc(F)cc2F)cc1 531369350 WCCUYMBSKMOEQH-UHFFFAOYSA-N 409.414 1.966 30 10 HDEE N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)N2CCC[C@H]2CS(N)(=O)=O)n1 542729839 PPIUKPWAPKXHEN-ZDUSSCGKSA-N 408.871 1.682 30 10 HDEE N#Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCCO4)CC2)n1 546885479 NDFZPDKKEKNAQA-UHFFFAOYSA-N 400.460 1.625 30 10 HDEE COCc1nc(C(=O)[C@H](C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)co1 548137381 AKPVAGCLGWUTDP-HNNXBMFYSA-N 408.418 1.728 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CCN4CCOC[C@@H]4C3)n2C[C@@H]2CCCO2)cc1 549520991 SSGCBZJHYCQFEU-ICSRJNTNSA-N 424.505 1.429 30 10 HDEE CN(C)S(=O)(=O)c1cccc2c1CCN(S(=O)(=O)CC1(C#N)CCCC1)C2 556395297 JDOLWVWGMULLPB-UHFFFAOYSA-N 411.549 1.709 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)CCCCN1C(=O)c2ccccc2C1=O 556953148 DGYPIEQAOCKNCZ-UHFFFAOYSA-N 408.462 1.721 30 10 HDEE CC(C)Oc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 560000491 BLDDETBVYZEYJS-UHFFFAOYSA-N 414.487 1.887 30 10 HDEE CCNS(=O)(=O)c1ccc(CNC(=O)NCc2ccc(C#N)c(OC)c2)cc1 562245546 GIZITWAELHELNS-UHFFFAOYSA-N 402.476 1.864 30 10 HDEE Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Cl)cc2)cc1S(=O)(=O)NCC#N 582261964 GSOFKQLUERPOPZ-INIZCTEOSA-N 407.879 1.914 30 10 HDEE N#Cc1ccnc(OC2CN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2)c1 585248991 YKVFBQQIHSKZJL-ZDUSSCGKSA-N 409.471 1.325 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 603557688 VZKQMPIYOKGHOE-OAHLLOKOSA-N 423.498 1.739 30 10 HDEE CC(=O)N[C@](C)(C(=O)NCc1ccc(C#N)cc1F)c1ccc(S(C)(=O)=O)cc1 619528570 DZGBRSSKUPGMOR-FQEVSTJZSA-N 417.462 1.769 30 10 HDEE C#CCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1cccc(NC(C)=O)c1 730138762 MXEQPFRWLCJJNV-KRWDZBQOSA-N 415.519 1.278 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN(C3CC3)[C@@H](C#N)C2)cc1 732649869 BCCQFJJJQBUGGB-IBGZPJMESA-N 418.563 1.848 30 10 HDEE N#C[C@H]1CN(C(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)CCN1C1CC1 732651663 FDXOIFDVQVCBBI-IBGZPJMESA-N 416.547 1.602 30 10 HDEE CC(C)C(=O)C(C#N)=c1sc(=Cc2cnn(C(C)C)c2)c(=O)n1C[C@@H]1CCCO1 732795734 VOLCUDIHTUTBPZ-INIZCTEOSA-N 414.531 1.594 30 10 HDEE C#CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)[C@@H]1CCOc2ccc(Br)cc21 733112504 KQJBPIPEYMAVKA-CYBMUJFWSA-N 420.223 1.934 30 10 HDEE C#CCN(C(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 742051800 DMPOVZSGMYZBKA-HZPDHXFCSA-N 414.524 1.051 30 10 HDEE C#CCN(Cc1csc(CC(=O)Nc2ccccc2)n1)[C@H]1CCS(=O)(=O)C1 744397254 FVMJLLUIHMAPKZ-KRWDZBQOSA-N 403.529 1.947 30 10 HDEE C[C@@H]1Cc2cc(C(=O)COC(=O)c3cc(C#N)cn3C)ccc2N1S(C)(=O)=O 751733477 FCHNUMKSXLJIKO-GFCCVEGCSA-N 401.444 1.647 30 10 HDEE CCOC(=O)c1cn(CN2CCN(c3nccnc3C#N)C[C@@H]2C)nc1C(F)(F)F 756889232 ZRQGMULVWPWFQR-LBPRGKRZSA-N 423.399 1.908 30 10 HDEE O=C(O)C#CCNC(=O)COCCNC(=O)OCC1c2ccccc2-c2ccccc21 757470964 NLNYOPYVLPIMSQ-UHFFFAOYSA-N 422.437 1.746 30 10 HDEE Cc1cc(O)cc(=O)n1CC(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 759902134 CBGYDSOTMJIPOW-NSHDSACASA-N 401.444 1.855 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCc2nc(-c3ccccn3)no2)CCCCC1 760409616 RODYIKNPSYYWRT-UHFFFAOYSA-N 403.464 1.984 30 10 HDEE CC(C)NC(=O)C(C#N)=c1sc(=Cc2ccn(C)c2)c(=O)n1-c1ccc(F)cc1 763436855 OFHFBIRPKQRTDR-UHFFFAOYSA-N 410.474 1.404 30 10 HDEE COC(=O)c1c(OC)ccc(S(=O)(=O)NCCNc2ccc(C#N)cn2)c1OC 771731706 SQQXGZVNHZAUSS-UHFFFAOYSA-N 420.447 1.147 30 10 HDEE C#CCN(C(=O)Nc1ccccc1I)[C@H]1CCS(=O)(=O)C1 774015160 JZXIXRIUZZNQAL-NSHDSACASA-N 418.256 1.945 30 10 HDEE N#CC1(CS(=O)(=O)NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)CCCC1 779313931 CKYNCXDFVHYSIV-KCQAQPDRSA-N 414.553 1.242 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)OCc2cncn2Cc2ccccc2)cc1 781897814 JXKKKFPQOODOQT-UHFFFAOYSA-N 410.455 1.825 30 10 HDEE Cn1cc(C(C)(C)C(=O)NS(=O)(=O)c2cc(Br)cc(C#N)c2)cn1 784886666 MSBGXAOQUHXHET-UHFFFAOYSA-N 411.281 1.837 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)n1 788811225 SMBZTHQRGOLMJA-UHFFFAOYSA-N 400.391 1.485 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CNC(=O)c2cc3c(s2)CCCC3)n1 788819274 WPYHDUDZRYHSPB-UHFFFAOYSA-N 414.531 1.862 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN(C[C@@H]3CCOC3)CC2)n1 789032578 YGVXHKZVKCMZDO-SFHVURJKSA-N 403.527 1.175 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 789323912 WRRXGAXBMAHAKS-OAQYLSRUSA-N 414.481 1.704 30 10 HDEE C=CC[C@]1(C(=O)N2CCN(C(C)(C)C(N)=O)CC2)CCCN1C(=O)OC(C)(C)C 790696734 BIZVCKZISJRNAW-OAQYLSRUSA-N 408.543 1.740 30 10 HDEE CCOC(=O)c1cc(NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)c(F)cc1C 792986943 QJZASUKILDZCJM-AWEZNQCLSA-N 402.426 1.448 30 10 HDEE COc1ccc(N=C2S[C@H](CC(=O)NCCN(C)C)C(=O)N2[C@H]2CC[C@@H]2C)cn1 795183693 PJOVUKHHPNOZMR-CWRNSKLLSA-N 419.551 1.888 30 10 HDEE N#Cc1ccc(N2CC[C@H](C(=O)OCC(=O)N3CCOC[C@@H]3C3CC3)C2)c(F)c1 805590747 YSSJRNKRHPRALX-QFBILLFUSA-N 401.438 1.704 30 10 HDEE COc1ccccc1O[C@@H]1CCCN(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)C1 806780762 GBVYEQZZKWJZCL-FZFLATATSA-N 414.462 1.774 30 10 HDEE CCOC(=O)CC(C)(C)C=NNc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1 807969373 PSEOBZHMEPGLIQ-UHFFFAOYSA-N 410.540 2.000 30 10 HDEE N#Cc1ncccc1COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 813168831 FHRHYFOYHXNXSQ-UHFFFAOYSA-N 421.862 1.985 30 10 HDEE COc1ccc([C@@H](CC(=O)NS(=O)(=O)c2ccc(C#N)cc2)NC(C)=O)cc1 916176927 FSEURIOUDCLLTC-GOSISDBHSA-N 401.444 1.639 30 10 HDEE C#CCN(C(=O)Cn1c(S)nnc1-c1cccc(C)c1)[C@@H]1CCS(=O)(=O)C1 918756364 RCHHAPJQZSCGOW-OAHLLOKOSA-N 404.517 1.191 30 10 HDEE Nn1c(NN=Cc2cc(Cl)ccc2O)nnc1SCC(=O)NCc1ccco1 1084103715 BCDAHLWBBKZRGM-UHFFFAOYSA-N 421.870 1.798 30 10 HDEE CN(CC(=O)NC1(C#N)CCCCCC1)c1c(O)nc(=O)n(Cc2ccccc2)c1N 1087090693 UCSKOMLYNRYIQB-UHFFFAOYSA-N 424.505 1.748 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)c2ccc3c(n2)OCCO3)c1 1125119643 OAHCDOXKTDJMGH-XLNRJJMWSA-N 416.459 1.918 30 10 HDEE C#CCN(C(=O)CC(C)(C)NC(=O)OCc1ccccc1)[C@H]1CCS(=O)(=O)C1 1125953412 FUWDVGACESSWSU-KRWDZBQOSA-N 406.504 1.730 30 10 HDEE COCCCN(C)CCNC(=O)C1CN(c2ccc(Br)cc2C#N)C1 1148480145 KPQOTQXVWIWVLV-UHFFFAOYSA-N 409.328 1.841 30 10 HDEE N#C[C@H]1CN(C(=O)c2ccc(NCCN3CCOCC3)c(F)c2)CCN1C1CC1 1151625475 OKDHKIFJHGKXQK-SFHVURJKSA-N 401.486 1.382 30 10 HDEE C#CCN1CCC[C@H](NC(=O)C2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)C1 1154958666 IKIWANYXNZTBGD-KRWDZBQOSA-N 414.531 1.061 30 10 HDEE O=C(NCC#CCO)[C@H](Cc1cccc(Br)c1)[C@@H]1CCS(=O)(=O)C1 1155733820 ZXPRYEOCFPCBJH-GDBMZVCRSA-N 414.321 1.154 30 10 HDEE CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCC(C#N)(C(=O)OC)CC2)cc1 1157759752 DJAOIQDBBZTVCP-UHFFFAOYSA-N 423.491 1.059 30 10 HDEE N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)c1ccccc1F 1162121061 FPUWOGKZDJKREX-MOPGFXCFSA-N 408.433 1.865 30 10 HDEE CS(=O)(=O)C1(CNC(=O)c2cc(S(=O)(=O)CC#N)ccc2F)CCCCC1 1166936904 DSGGGQODMYBVFC-UHFFFAOYSA-N 416.496 1.600 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N=[S@](C)(=O)c2ccc(OC)cc2)c1 1178482232 ZYIQUQOUJGGWIZ-AREMUKBSSA-N 406.485 1.904 30 10 HDEE C#CC[C@@H](NS(=O)(=O)c1ccc(NC(C)=O)c(Br)c1)C(=O)OC 1191202069 QWHSWPBQZUHZGT-CYBMUJFWSA-N 403.254 1.251 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2OC(=O)N([C@@H]3CCN(C[C@H](C#N)CCC#N)C3)[C@@H]2C1 1197219924 DOPVQWQDBASMFS-HZMVEIRTSA-N 403.483 1.944 30 10 HDEE C#C[C@@H](NC(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1)c1ccc(F)cc1 1230478968 SWDAGKLAGMDUOV-GOSISDBHSA-N 411.499 1.582 30 10 HDEE CCOC(=O)[C@@]1(C)CN(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)CCO1 1252506444 DDWZFYRSUOZUIA-JOCHJYFZSA-N 414.506 1.886 30 10 HDEE N#Cc1ccccc1N1CCC(NC(=O)NCC2(O)CCC3(CC2)OCCO3)CC1 1253866504 BBZDFPRTCQXSLU-UHFFFAOYSA-N 414.506 1.874 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1ccc2c(c1)CCO2 1286410489 UEVNDWAYYZMEJJ-LJQANCHMSA-N 424.526 1.431 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccc(F)cc3)n2CCn2cc(C)cn2)CC1 1286479467 UGFBYQYZZLKHDJ-UHFFFAOYSA-N 407.497 1.968 30 10 HDEE C#CCN1CCN(c2nnc(Cn3nc(C)cc3C)n2Cc2cnn(CC)c2)CC1 1286484017 CNJCSMILFYKCSM-UHFFFAOYSA-N 407.526 1.160 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1CC[C@H](C)[C@H](C)C1 1286785259 CSBQYUHGJBYKIQ-UONOGXRCSA-N 400.483 1.790 30 10 HDEE Cc1c(NC(=O)C/N=C2/NS(=O)(=O)c3ccccc32)nnn1-c1ccc(F)cc1 1287317902 XYXOODOXMNQUJH-UHFFFAOYSA-N 414.422 1.392 30 10 HDEE CN1CCCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)C1=O 1291649708 LAJPNADDLNNNNR-SEPJKUCUSA-N 406.508 1.696 30 10 HDEE CO[C@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)CCOC1 1299808695 FATPPDUBFXDELP-APWZRJJASA-N 423.539 1.116 30 10 HDEE C#CCN(c1nnc(C(C)C)n1C[C@@H]1CC[C@]2(CCOC2)O1)[C@H]1CCS(=O)(=O)C1 1300481965 CRBUEMORPBGZFC-ABSDTBQOSA-N 422.551 1.366 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cnccn2)n1Cc1cccc(N2CCOCC2)c1 1300530117 ZCUJEORDUNCXKJ-UHFFFAOYSA-N 413.485 1.693 30 10 HDEE C#CCN(CC#C)c1nnc(CC2CC2)n1Cc1ccc(N2CCN(CC)CC2)nc1 1300545016 FYRFYHFEWWNEOL-UHFFFAOYSA-N 417.561 1.889 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCc2n[nH]c(C)n2)CC1 1300690322 HJIHSSOGESLOGL-UHFFFAOYSA-N 404.522 1.932 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnccn3)n2Cc2cccc(NC(C)=O)c2)CC1 1300696107 UAGJQYDWLRFJFK-UHFFFAOYSA-N 416.489 1.497 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccccc3OCC)n2CC2(O)CC2)CC1 1300710256 YNGKVFRFMPFLEH-UHFFFAOYSA-N 411.506 1.536 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCNC(=O)c2cccc(C)c2)CC1 1300710994 RGISZBMVRTZSGU-HXUWFJFHSA-N 422.533 1.623 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)CC)n1CCNS(=O)(=O)Cc1ccon1 1300780456 QKQUERHBDWWHJO-DNVCBOLYSA-N 420.539 1.891 30 10 HDEE C=CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@H]2C1 1301198042 WCLKYZRCUNZWFY-BBWFWOEESA-N 405.499 1.999 30 10 HDEE C=CCNC(=O)Cn1c(-c2cc(-c3ccccc3)[nH]n2)nnc1N1CCO[C@H](C#N)C1 1301483442 OMUINFKQWYVKER-MRXNPFEDSA-N 418.461 1.366 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CC[C@H](CN2CCOCC2)C1 1301490272 PFMZBWQGGCWSCF-QGZVFWFLSA-N 414.510 1.307 30 10 HDEE C=CCSCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C)C(=O)C1 1301595666 ZJFPBZBPRNFIDF-UHFFFAOYSA-N 401.496 1.123 30 10 HDEE COC(=O)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC1CCCC1 1304803659 ZJTJTRZFJPOOKF-KRWDZBQOSA-N 421.519 1.978 30 10 HDEE Cc1ccc([C@@H](NC(=O)Cn2c(=O)c(C#N)cn(CCO)c2=O)c2cccs2)cc1 1307371287 AZJUKKUBIOWLIM-LJQANCHMSA-N 424.482 1.150 30 10 HDEE COc1ccccc1C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 1307950702 IMPKACJWVLHBDZ-UHFFFAOYSA-N 417.465 1.753 30 10 HDEE COc1ccc(OC)c(CCCNC(=O)N2CC(n3cc(C#N)c(O)nc3=O)C2)c1 1312437794 AJARFWQYTPDGHP-UHFFFAOYSA-N 413.434 1.037 30 10 HDEE COC[C@@H](Cn1c(-c2cc(-c3ccccc3)on2)nnc1N1CCO[C@@H](C#N)C1)OC 1315804525 IFNPFDQCZGXBAK-DLBZAZTESA-N 424.461 1.990 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCC(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1 1318847720 BUDYRAVUVHFGEK-ZZEZOPTASA-N 422.445 1.754 30 10 HDEE N#C[C@H]1CN(c2nnc(C3CCN(c4ncccn4)CC3)n2C[C@@H]2CCCO2)CCO1 1327188376 AITDXRJFGVCHHH-ROUUACIJSA-N 424.509 1.360 30 10 HDEE Cn1cc(N2CCN(C(=O)COc3ccc(C#N)c(Br)c3)CC2)cn1 1355224643 HZGGPHZRVPPZBG-UHFFFAOYSA-N 404.268 1.782 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 1357505912 HXMMYMWZYPZMKX-ZWKOTPCHSA-N 412.471 1.716 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc(F)c(COC)c1 1358889838 HMPKCKYXNJDCNO-GDBMZVCRSA-N 420.510 1.972 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1358932961 CUKBQQYYTDAWDR-YLJYHZDGSA-N 411.554 1.710 30 10 HDEE C#CCN(CC#CC)c1nnc(CC2CCCC2)n1CCN1CCN(C(C)=O)CC1 1358996964 ZNTRGICOZQNJRT-UHFFFAOYSA-N 410.566 1.638 30 10 HDEE C#CCN1CCN(c2nnc(CC3CC3)n2C[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 1359037535 NBNHSWFCDVXQSA-IBGZPJMESA-N 424.524 1.469 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(C)(=O)=O 1359100070 WLOVYTCGQZHMOQ-IKGGRYGDSA-N 412.556 1.634 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(CC)CC)nnc1N1CC[C@@H]2OC(=O)O[C@@H]2C1 1359126605 UAMDJWPLGIAGIH-JKSUJKDBSA-N 421.498 1.903 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN([C@@H](C)c2nc(C)no2)CC1 1359149706 GROXYCJRNKHHAA-GXTWGEPZSA-N 420.905 1.556 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1C 1359292172 JKLMMLOJTOXULB-OAHLLOKOSA-N 420.539 1.135 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](NC(=O)CCC)C1 1359299305 BMUJBZRGNZZNSA-IAGOWNOFSA-N 418.542 1.359 30 10 HDEE C=CCNC(=O)Cn1c(Cc2csc(C)n2)nnc1N1C[C@H](C)O[C@H](CC)C1 1359302716 RDOAPROCRUUBRA-XJKSGUPXSA-N 404.540 1.940 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2([S@](C)=O)CC2)C1 1359327187 UYVNMSIETZNMMK-VXOKPVROSA-N 424.567 1.695 30 10 HDEE CC(C)[C@H](Cn1c([C@H]2CCOC2)nnc1N1CC[C@](F)(C#N)C1)N1CCOCC1 1359662525 BJKXLOAZVBIHIK-ZWOKBUDYSA-N 406.506 1.581 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N[C@H](CO)C(=O)OCc3ccccc3)n[nH]2)c1C 1447220502 MWQWAIHNOQASOK-LJQANCHMSA-N 423.473 1.910 30 10 HDEE Cn1c(C(=O)NCC(=O)NCC#N)ccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 1449137514 SPDMRAKVWIQKPF-OAHLLOKOSA-N 403.483 1.857 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H](C(=O)OC)C2CCCCC2)cc1 1454555540 INXWGQGVIFHXNL-SFHVURJKSA-N 406.504 1.697 30 10 HDEE CN(C)S(=O)(=O)c1cc(C(=O)N2CCC[C@](C#N)(c3ccccn3)C2)n(C)c1 1454677425 GIOIBNKRAZVWIJ-LJQANCHMSA-N 401.492 1.368 30 10 HDEE C=CC1(CC(=O)N2CCN(c3nc(N)nc(C(=O)OCC)n3)CC2)CCCCC1 1456729030 MQDSVTIVWXCRCX-UHFFFAOYSA-N 402.499 1.806 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2ccc(C(=O)OCC)cc2NC(C)C)C1=O 1470074478 KSYHRYNKSFAHFG-UHFFFAOYSA-N 416.434 1.599 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NCC2CCN(Cc3ccncc3)CC2)n1 1470729054 YYQXBBOVYANVKP-UHFFFAOYSA-N 424.549 1.982 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2csc(N(C)c3ccccc3)n2)CC1 1471450861 KGPKKXIXKQHKDF-UHFFFAOYSA-N 419.532 1.136 30 10 HDEE C=C(CCC(=O)OC)C(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1472058873 YUJRQDSJVCGPTO-CQSZACIVSA-N 404.467 1.900 30 10 HDEE Cn1ncc(CCCn2c(-c3ccc(Cl)nc3)nnc2N2CCO[C@@H](C#N)C2)n1 1503692638 SVILJUCYPSDEGT-HNNXBMFYSA-N 413.873 1.484 30 10 HDEE CO[C@@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2ccc(C(N)=O)nc2)C1 1505101089 HVCGVXFECLPZPA-QGZVFWFLSA-N 403.446 1.584 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1CC1(C)CC1)[C@@H]1CCS(=O)(=O)C1 1507624561 BMTCAFUPFZDTQI-JKSUJKDBSA-N 410.540 1.429 30 10 HDEE C#CCN(c1nnc(-c2ccc(Cl)nc2)n1CCOCC)[C@@H]1CCS(=O)(=O)C1 1507627602 KMHJPRZQQLSBCT-OAHLLOKOSA-N 423.926 1.657 30 10 HDEE C#CCN(CC)c1nnc([C@@]2(OC(C)C)CCOC2)n1Cc1conc1COC 1507678881 ODODRVPMCJGYAW-HXUWFJFHSA-N 403.483 1.961 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@](C)(O)CC)CC1 1507725754 AGAUQVYPGNWMHI-FQEVSTJZSA-N 416.551 1.186 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCCOC[C@@H]2CCCO2)CC1 1507732398 VDSNOFZPWQZATD-UXHICEINSA-N 417.554 1.513 30 10 HDEE C=C(C)COCCn1c(Cc2ccncc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1507846508 NSCFKQKWTNTTSA-RBUKOAKNSA-N 410.522 1.914 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1N1CCOCC1 1508017337 PDUKELVCQLBKMC-GOSISDBHSA-N 423.521 1.688 30 10 HDEE C=CCSCCn1c(N2CC[C@](C)(C(=O)NC)C2)nnc1[C@@]1(OCC)CCOC1 1508167432 IZPYWMHCMJPLSV-VQTJNVASSA-N 423.583 1.812 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCC(CC#N)CC2)n1CC1([S@@](C)=O)CCC1 1509632383 AUWPNABBTMFAGR-MUUNZHRXSA-N 406.556 1.848 30 10 HDEE Cc1nccn1CCCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](C#N)C1 1511604589 DTXVWGCJPSUTBG-INIZCTEOSA-N 400.487 1.130 30 10 HDEE C[C@H]1CCCN1c1nnc(Cc2ccccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1512253987 ODLKEMRTXQEIHU-DNTCVELPSA-N 407.478 1.779 30 10 HDEE CC(=O)c1cc(C#N)ccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C 1525883670 CBSGJJCCVBRHIA-UHFFFAOYSA-N 416.459 1.373 30 10 HDEE CSc1nc(O)c(C(=O)N2CCN(c3ccc(F)cc3C(N)=O)CC2)cc1C#N 1533452200 VKMNRBRCSKVQEX-UHFFFAOYSA-N 415.450 1.581 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)Nc1nc(C2CCOCC2)ns1 1535191972 HWPCUDMRJCSULP-UHFFFAOYSA-N 407.477 1.109 30 10 HDEE C#CCN(c1nnc([C@@H](C)CC)n1Cc1cnccc1OC)[C@H]1CCS(=O)(=O)C1 1539202411 IAZZNFVQHSTCIA-RDJZCZTQSA-N 417.535 1.870 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(C(=O)NCC)cc1)[C@H]1CCS(=O)(=O)C1 1539204742 CPGIKLFCFQUIER-SFHVURJKSA-N 415.519 1.011 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(F)cc1)N(C)C 1539259333 CMQUBVJIJQJHSB-OALUTQOASA-N 408.481 1.744 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2C[C@@H]2CCOC2)CC1 1539474769 XZZIZVXQXUUTJK-KRWDZBQOSA-N 423.517 1.956 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCCNC(C)=O)CC1 1539475435 GHNLBXWXNQMCEK-UHFFFAOYSA-N 422.533 1.746 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3ccccn3)n2Cc2cc(C)on2)CC1 1539484472 QFFSNRSBZZURSU-UHFFFAOYSA-N 419.489 1.574 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2C[C@H]2CCCS(=O)(=O)C2)CC1 1539831009 BOBRQOZVJHQDOT-IAGOWNOFSA-N 412.556 1.983 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N(C)Cc1cnn(C)c1 1540903280 AOHYPCOASOJEBL-UHFFFAOYSA-N 415.523 1.235 30 10 HDEE C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1 1543136619 ARDDUCMIKHJTGU-HOTGVXAUSA-N 418.556 1.898 30 10 HDEE COCCNC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)Cc2ccc(C#N)nc2)cc1 1544312279 TTWQECGJBNULGP-AWEZNQCLSA-N 410.430 1.442 30 10 HDEE C[C@@H]1CN(C)C(=O)CN1c1nnc(-c2ccc(C#N)cc2)n1CCSCCCO 1544555834 ZBOXRQWXODKONR-OAHLLOKOSA-N 414.535 1.599 30 10 HDEE N#Cc1ccc(-n2ccc(NC(=O)[C@@H]3C[C@H](O)CN3c3ccncn3)n2)c(Cl)c1 1546092401 YHVDHDANRNCSOQ-BBRMVZONSA-N 409.837 1.766 30 10 HDEE C=CCOC[C@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)C(=O)OC 1556375832 TYEPGWQZBOHQQX-ZFWWWQNUSA-N 422.482 1.717 30 10 HDEE Cn1cc(C(=O)NC[C@@H]2CCCN2C(=O)[C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2)cn1 1556603475 GEDGAYRJSHNHNL-APWZRJJASA-N 420.473 1.066 30 10 HDEE C#CCC1(NC(=O)/C=C/C(=O)N2CCN(c3ccc(OC)cc3)CC2)CCOCC1 1558418902 VDPKLAGWKFFFAR-CMDGGOBGSA-N 411.502 1.589 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2CCC[C@@](O)(CN(C)C)C2)n(Cc2ccco2)c1C 1559945646 AEVSHWQNFQGWMT-JOCHJYFZSA-N 413.522 1.945 30 10 HDEE Cc1c(C(=O)N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)C3)CC2)cnn1CCC#N 1565697936 QTHUJPHEJHYUGV-SJLPKXTDSA-N 400.527 1.558 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCN(c2ccnc(F)c2)CC1 1569232693 FQNCAWRSYNGNEQ-AWEZNQCLSA-N 417.466 1.108 30 10 HDEE C#Cc1cccc(CNC(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)c1 1570328575 WLCCRGLZORSLNN-UHFFFAOYSA-N 404.513 1.805 30 10 HDEE COCCN(Cc1ccc(C#N)cc1)C(=O)CNS(=O)(=O)c1ccccc1N 1584747847 MIPGSKSHWCBERC-UHFFFAOYSA-N 402.476 1.094 30 10 HDEE CON(C)S(=O)(=O)c1cccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)c1 1585444378 AXARWIKQAKGXKY-LJQANCHMSA-N 415.471 1.954 30 10 HDEE C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCNC(=O)CC1 1587813462 NDQBVVQRNHQPMN-UHFFFAOYSA-N 405.300 1.786 30 10 HDEE C#CCN(c1nnc(CC)n1Cc1ccc(F)c(COC)c1)[C@@H]1CCS(=O)(=O)C1 1588059613 QXTIDCGARMGDCD-QGZVFWFLSA-N 420.510 1.801 30 10 HDEE C#CCN(CC)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N2CCOC2=O)cc1 1588262892 MHRRMPPFIHTHAR-UHFFFAOYSA-N 410.478 1.881 30 10 HDEE C#CCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1CCN(C(=O)OC)CC1 1588459122 MOHDFBSEVSRVGP-ROUUACIJSA-N 419.526 1.940 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OCC)CCOC3)n2C[C@H]2CCOC[C@@H]2C)CC1 1588751222 JOOQFMIKGSNOMI-JQVVWYNYSA-N 417.554 1.358 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccc(C)n3)n2CCCN(C)CCOC)CC1 1588805730 AXVDABAZTRDKBB-UHFFFAOYSA-N 411.554 1.372 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2Cc2cccc(N3CCCC3=O)c2)CC1 1588871394 BSDOCZTUERBSJK-UHFFFAOYSA-N 422.533 1.745 30 10 HDEE C=C(C)Cn1c(C(=O)NC(C)C)nnc1N1CCC2(CC1)OC(=O)NC21CCC1 1589700881 BIYQVWGFAZFLBO-UHFFFAOYSA-N 402.499 1.994 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCS(=O)(=O)NC 1595114924 AWXSZZNFBNSUAO-SFHVURJKSA-N 419.551 1.914 30 10 HDEE C=C(Cl)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(S(N)(=O)=O)c1 1595556993 IAJLJJAVSPCBSW-AWEZNQCLSA-N 417.915 1.986 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N(C)[C@H]1CCOC1 1595804520 AYBGNCPMZYARHT-KRWDZBQOSA-N 408.499 1.834 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)N3CCc4c(CC(N)=O)cccc4C3)CC2=O)cc1 1596640392 RYEYLISFAPCLNG-SFHVURJKSA-N 402.454 1.524 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@@H]([C@@H]2CCCO2)C1 1596696154 SCGHUJUBLTUXLJ-VQTJNVASSA-N 424.505 1.727 30 10 HDEE CC(C)CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCCO)CC1 1607486156 LIYASINEFQEKTG-UHFFFAOYSA-N 412.538 1.994 30 10 HDEE N#CCN(CC#N)C(=O)C1(O)CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 1611113908 SNQRJSUKROSHKW-UHFFFAOYSA-N 416.437 1.858 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 1611308927 WGTMYZSLLBXTLC-ROUUACIJSA-N 403.575 1.936 30 10 HDEE CC1(C)CCN(c2nnc([C@@H]3CCOC3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1611788933 AHKPGCCQXRSNCO-KIJUOZEOSA-N 414.510 1.935 30 10 HDEE Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)N[C@H](C#N)c1cccc(Cl)c1Cl 1616309311 KADBBLJPRTVFOW-LLVKDONJSA-N 415.258 1.543 30 10 HDEE C=C(C)CN(CC(=O)N(CC(=O)N(C)C)CC(F)(F)F)Cc1ccc(CO)o1 1617860395 OGRQAVDMQCXCBG-UHFFFAOYSA-N 405.417 1.629 30 10 HDEE COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@](F)(C#N)C1 1619881769 FFXYAXGPHXPBLZ-LJQANCHMSA-N 404.494 1.160 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 1622417112 PXMOZXJFBLXRCZ-VIFPVBQESA-N 403.254 1.097 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1ccccc1S(=O)(=O)C(F)F)C(=O)OCC 1622506755 YTAKFXZIHQVXDH-NSHDSACASA-N 411.448 1.859 30 10 HDEE N#Cc1cn(CCC(=O)N2CCO[C@@H](c3ccc(OC(F)F)cc3)C2)c(=O)nc1O 1624506500 CDLSPFPWOXKPEZ-OAHLLOKOSA-N 420.372 1.412 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC[C@@H](CNS(C)(=O)=O)C3)n[nH]2)c1C 1625533219 CMNOOMQZFBKOBQ-HNNXBMFYSA-N 420.539 1.477 30 10 HDEE COCCCNC(=O)CN(C)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1631254057 JDAPTTAJNAPPFP-ZGOJQLDESA-N 422.526 1.384 30 10 HDEE N#C[C@@]12CN(C(=O)NCCc3ccccc3Br)C[C@H]1CS(=O)(=O)C2 1634976634 JIPKPEJLYUOWAO-BBRMVZONSA-N 412.309 1.571 30 10 HDEE CSc1cc(C(=O)NCCn2cc(C#N)c(O)nc2=O)ccc1Br 1641034243 WOWBTMCFYDAZQG-UHFFFAOYSA-N 409.265 1.735 30 10 HDEE C[C@H](CN(C)C(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(=O)OC(C)(C)C 1642484905 NCSSGPRAECEKMV-CQSZACIVSA-N 423.535 1.942 30 10 HDEE N#Cc1cc(C(F)(F)F)cc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1 1642492674 XQZSKJVLSQQOSR-CQSZACIVSA-N 404.414 1.603 30 10 HDEE C#CC1CCN([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)CC1 1643559638 LIDVRWZMPGNZLT-QGZVFWFLSA-N 419.547 1.688 30 10 HDEE C=CCN(Cc1cccs1)C(=O)[C@@H](C)N(C)Cc1nnc2c(=O)n(C)ccn12 1644470201 UMNUKIMUBBIEAD-CQSZACIVSA-N 400.508 1.525 30 10 HDEE N#Cc1ccccc1-c1ccc(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1 1644996202 GPZAGOLFGLFXFW-YADHBBJMSA-N 411.527 1.501 30 10 HDEE CC[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C(=O)OC(C)(C)C 1645006212 SPSOZJJRUZXVLU-AWEZNQCLSA-N 409.508 1.976 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CNS(=O)(=O)c1cccc(Br)c1 1648126445 KTLGHNGOADJJFA-ZDUSSCGKSA-N 403.298 1.272 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CCc2nc3cc(S(N)(=O)=O)ccc3n2CCC)C1 1654677814 DXMMJSAGTMPJOK-OAHLLOKOSA-N 402.520 1.898 30 10 HDEE Cc1c(C#N)c(NC(=O)CN2C[C@@H](CO)[C@@H](CCO)C2)n(-c2ccc(F)cc2)c1C 1655898435 JQYRYWMLONUZIX-IRXDYDNUSA-N 414.481 1.966 30 10 HDEE O=C(CN1CC[C@H]2[C@@H]1CCCN2CCO)NCC#Cc1cccc(C(F)(F)F)c1 1660523081 ZJOCBDFIXXSQOF-OALUTQOASA-N 409.452 1.704 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2cc(=O)n3ccccc3n2)ccc1Br 1664798330 GWAXPAKKHPWNTF-UHFFFAOYSA-N 419.260 1.807 30 10 HDEE CC[C@@H]1C(=O)N(CC)CCN1S(=O)(=O)c1ccc(Br)c(C#N)c1 1668722984 HJLMLLRAOQKUTF-CQSZACIVSA-N 400.298 1.952 30 10 HDEE C#CCC1(NC(=O)Nc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)CCOCC1 1674111507 PDGXKAAJUIWBPY-UHFFFAOYSA-N 411.506 1.834 30 10 HDEE C#C[C@H](NC(=O)N1CCN(C(=O)C(OC)OC)CC1)c1ccc(Br)cc1 1682361267 AFJHMFZEJNCCCL-HNNXBMFYSA-N 424.295 1.596 30 10 HDEE Cc1ccc(-n2nc(CCCNC(=O)NCCO[C@H]3CCOC3)c(C#N)c2N)cc1 1687698326 QOWPDKOTUQYJOB-KRWDZBQOSA-N 412.494 1.672 30 10 HDEE C#CCN(c1nnc([C@H]2CCC(=O)N2)n1CC1(CC)CCC1)[C@H]1CCS(=O)(=O)C1 1689988912 YNRNIFCNUNRMEL-JKSUJKDBSA-N 419.551 1.436 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1C[C@]1(O)CCOC1 1690004788 GQAPWMWTGGHODF-JOCHJYFZSA-N 402.458 1.559 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOC(C)C 1690013443 ONVCSIXAVGLOGH-UHFFFAOYSA-N 414.535 1.736 30 10 HDEE C#CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCC(=O)NC)CC1 1690132480 ROCKCDQWKONSLX-UHFFFAOYSA-N 410.522 1.365 30 10 HDEE C=CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@]1(C)CN(C)C1=O)C1CC1 1690538363 GXXNOMSHTBAVEG-LEWJYISDSA-N 403.527 1.952 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)c1cc(OC)cc(OC)c1 1690667622 BLUVZSOPSDZMGH-UHFFFAOYSA-N 411.466 1.766 30 10 HDEE C=CCNC(=O)Cn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1C(=O)N1CCCC1 1690677987 HBLKVCZKAWHWNM-CYBMUJFWSA-N 420.424 1.337 30 10 HDEE C[C@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1NC(=O)CC1(C)C 1692674678 XTEWKCPVXLEGJV-CZUORRHYSA-N 409.494 1.432 30 10 HDEE CCN(C)C(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1695499675 KNRKRNXAGSYYHA-OAQYLSRUSA-N 407.478 1.154 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1C[C@@H]1CC[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 1705567320 WKRHEKFJBMDCDE-NUJGCVRESA-N 416.551 1.742 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(C)cc2)n1CCN1CCCS1(=O)=O 1705616810 OCUOMCRXXXAUIG-UHFFFAOYSA-N 417.535 1.661 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(C)c(C)c2)n1C[C@@]1(O)CCS(=O)(=O)C1 1705847894 BCSRHUXUKSVASU-FQEVSTJZSA-N 420.535 1.646 30 10 HDEE C=CCNC(=O)Cn1c(N2CC(C)(C)OC[C@@H]2C)nnc1[C@]1(OCC)CCOC1 1705908092 HOWKFHALUTUBFK-YWZLYKJASA-N 407.515 1.236 30 10 HDEE C=CCSCCn1c(CC)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1705946345 FYCQZPIJEGDNCK-UHFFFAOYSA-N 401.540 1.580 30 10 HDEE CCCNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC[C@H]1C 1709835760 CNZRSRLIVOQAPD-MRXNPFEDSA-N 412.494 1.870 30 10 HDEE CCn1cccc(Cn2c(Cc3ccncc3)nnc2N2CCO[C@@H](C#N)C2)c1=O 1710192291 DPCBXAIGEWRKCC-SFHVURJKSA-N 405.462 1.223 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1cccc(CO)c1 1712639635 JLCILUUTTRIRCK-BBTUJRGHSA-N 415.469 1.985 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(OC)c1OC 1722295736 LMVFDCZOAGNRCT-GDBMZVCRSA-N 418.519 1.704 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1ccc(F)cn1 1722349779 ATSGEKJKGSTLQP-UHFFFAOYSA-N 403.421 1.844 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCCCC1=O 1722350764 DDZFIWOALAARNB-INIZCTEOSA-N 407.540 1.042 30 10 HDEE C#CCN(C)c1nnc(CCN2CCN(c3ccccc3)CC2)n1CC1(O)CCC1 1722356641 QOEJTRVYJWKHRK-UHFFFAOYSA-N 408.550 1.627 30 10 HDEE C#CCN(c1nnc(CCc2ccccc2)n1CC1(O)CC1)[C@@H]1CCS(=O)(=O)C1 1722371729 LCYRYTKSRCYMBP-GOSISDBHSA-N 414.531 1.215 30 10 HDEE C#CCN(CC#CC)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCOC1 1722401408 WRBDRYUDYYNKNW-QHCPKHFHSA-N 403.486 1.895 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC2CC(F)(F)C2)CC1 1722440311 CHCBCIJOKQWAHB-IRXDYDNUSA-N 409.481 1.803 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCC(NC(=O)C2CC2)CC1 1722625408 UDBISYZREAGBRU-UHFFFAOYSA-N 411.510 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c(N2CCO[C@@H](c3nnc(C)o3)C2)nnc1C(C)(C)C 1722736671 DYWWZJNFRMSFSB-CQSZACIVSA-N 424.527 1.446 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1729722797 AMDFUAKSARAXCO-HKUYNNGSSA-N 424.505 1.870 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OC(C)C)CCOC2)n1CC1(O)CC(OCC)C1 1740534663 JCIYTVNWEWRTCU-XFFDBYKISA-N 406.527 1.707 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1C[C@@H](N1CCOCC1)C(F)(F)F 1740553583 MDQFPRCZIWOFDW-HRCADAONSA-N 415.460 1.893 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@]1(O)CCN(C)C1 1740601591 FYFSXRXBEIJLFC-GOSISDBHSA-N 404.312 1.844 30 10 HDEE C#CCN(CC#C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC1=CCCOC1 1740637250 VOORISWTGRMYKR-UHFFFAOYSA-N 424.530 1.658 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCC1CC(OCC)C1 1740656259 JIRJUHGXEZTEGV-JLAWEPINSA-N 418.563 1.848 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)c2ccccc2)CC1 1740689114 OVQYDMCAGICHLO-UHFFFAOYSA-N 409.538 1.308 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc[nH]3)n2CCCCN2CCC[C@@H]2CO)CC1 1740695064 CDDKCSBSYWHEDV-LJQANCHMSA-N 411.554 1.265 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CC2)CC1 1740704045 JAEVCWFCDQXXCR-UHFFFAOYSA-N 409.490 1.444 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 1740716602 VBJUBLMFQYTNMY-QGZVFWFLSA-N 402.568 1.265 30 10 HDEE C=C(C)COCCn1c(C)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1740788667 VLUMVVPJVXAOEK-YLJYHZDGSA-N 404.559 1.558 30 10 HDEE C=CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C 1740873680 DVVIDVLALDCHCH-FUHWJXTLSA-N 402.543 1.885 30 10 HDEE C=CCCOCCn1c(-c2cnn(C)c2)nnc1N1CCN(CC(F)(F)F)CC1 1740884418 AIGWEEWWLSICLD-UHFFFAOYSA-N 413.448 1.956 30 10 HDEE C=CCN(C)c1nnc([C@@H]2CCCOC2)n1Cc1cccc(S(=O)(=O)NC)c1 1740899397 MESRQRXGJSQKSY-MRXNPFEDSA-N 405.524 1.751 30 10 HDEE C=CCNC(=O)Cn1c(C2CCC2)nnc1N1CCN(c2ncccc2C#N)CC1 1740958645 SFSGTHRYMPFHJP-UHFFFAOYSA-N 406.494 1.441 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2CC2(O)CCOCC2)C1 1740972657 KWMFRCVWDRZTDS-UTKZUKDTSA-N 422.526 1.253 30 10 HDEE CO[C@H](Cn1c(-c2ccc(C#N)cc2)nnc1N(C)CCS(C)(=O)=O)C1CC1 1748418382 CHFPKKNDMJOGDF-QGZVFWFLSA-N 403.508 1.723 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)c1c(C)noc1C 1748825947 JCSKDSPBHBSJSI-HIFRSBDPSA-N 418.523 1.370 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccn3)n2CCc2cccc(C(N)=O)c2)CC1 1748984402 QXXUCYUNLSQOIC-UHFFFAOYSA-N 415.501 1.437 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(C)nnc1N1CCN([C@@H](C(N)=O)c2ccccc2)CC1 1749120260 COEGIFLGRDEMPU-HBMCJLEFSA-N 424.549 1.916 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)=O)C1 1749574817 GCHCZQWRHMKHLY-ZWKOTPCHSA-N 421.567 1.617 30 10 HDEE C=CCSCCn1c(N2CCCN(CC)C(=O)C2)nnc1[C@]1(OCC)CCOC1 1749764311 YRHOQPOOCSHPHF-FQEVSTJZSA-N 423.583 1.908 30 10 HDEE CC(C)NC(=O)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc2nsnc2c1 1750948282 HFJAHMSITLVPJY-SFHVURJKSA-N 414.470 1.911 30 10 HDEE CC(C)NC(=O)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@]1(C)CN(C)C1=O 1750985384 QZUVNCFZICENSK-OAQYLSRUSA-N 409.494 1.256 30 10 HDEE C[C@H](Oc1ccccc1F)c1nnc(N(C)[C@@H](C)CC#N)n1CCNS(C)(=O)=O 1751262473 FOCJUUVOUFPJNC-KBPBESRZSA-N 424.502 1.845 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@](C)(O)c1cc(C)oc1C 1760176002 XDYLYBFDWWJULS-DNVCBOLYSA-N 406.508 1.367 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@]1(O)CCSC1 1760208901 NDQGDZIYTIIAPU-HXUWFJFHSA-N 410.503 1.256 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCC(C)CC1 1760223434 FHWSVNORKKOZFH-UHFFFAOYSA-N 410.566 1.985 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CCCc1nc2ccccc2[nH]1 1760248335 IWKNXOAJJFEAFM-SFHVURJKSA-N 421.505 1.824 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCCC2=O)C1 1760351929 MRQVKTGZZKNOHC-INIZCTEOSA-N 404.515 1.210 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(-c2cc3ccccc3o2)n1CCNS(C)(=O)=O 1761357654 HKSFIKUSTHFRCC-ZDUSSCGKSA-N 402.480 1.979 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1761363216 CYJJBPRGOLUKGQ-KRWDZBQOSA-N 415.542 1.932 30 10 HDEE CNC(=O)[C@@H]1CCCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1767656966 VPGCKEDLMLNUBC-VGOFRKELSA-N 421.505 1.257 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](C)N1CCC(C)CC1 1770049621 DVBSPNXODIJTGW-QRVBRYPASA-N 420.558 1.851 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCO[C@@H]2CCOC2)cc1 1770740890 XUDOMPQUEDARFZ-RTBURBONSA-N 408.462 1.741 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)ON1C(=O)c2ccccc2C1=O 1772790831 XQDAFNVMUSIORF-UHFFFAOYSA-N 413.411 1.260 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C#N)CC3)CC2)cc1 1848933690 TVFDGTRHJYEXTH-UHFFFAOYSA-N 419.503 1.636 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)CNC(=O)c3ccccc3F)CC2)nc1 1851684012 ZSCQBZSMBDSTKY-UHFFFAOYSA-N 411.437 1.188 30 10 HDEE O=C1C=C(NC(=O)CN2N=C(c3nc(-c4cccc(F)c4)no3)CCC2=O)CCC1 1851981329 PPMILWLHALVVJV-UHFFFAOYSA-N 411.393 1.955 30 10 HDEE CS(=O)(=O)N1CCN(CCOC(=O)c2nccc(-c3ccccc3)c2C#N)CC1 1852040878 GGWWHZLLKUFPBK-UHFFFAOYSA-N 414.487 1.354 30 10 HDEE Cc1c(C(=O)N2CCN(c3nccc(C#N)n3)CC2)nnn1-c1ccc(Cl)cc1 1853099785 JFNITKLOSFKLNF-UHFFFAOYSA-N 408.853 1.853 30 10 HDEE C=CCN[C@@H](C)[C@@H]1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 1853460211 ZASIEWVQIGFHDT-KBXCAEBGSA-N 424.567 1.705 30 10 HDEE Cc1ccn2cc(C(=O)N3CCN(CC(=O)c4ccc(C#N)cc4)CC3=O)nc2c1 1853888203 MHLYLHWXGJPBNW-UHFFFAOYSA-N 401.426 1.682 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)COc2ccccc2)C(=O)C12CCCCC2 1854414669 SDRCSIFXZHKEDY-UHFFFAOYSA-N 405.476 1.292 30 10 HDEE C=C[C@@H]1CCCCN1[C@@H]1CCN(C(=O)Cn2nc(-c3ccncc3)ccc2=O)C1=O 1854557967 AUOHMQIUEYSDBC-IEBWSBKVSA-N 407.474 1.473 30 10 HDEE C[C@@H]1C(=O)N(C(=O)[C@@H]2Cc3ccccc3O2)CCN1CC(=O)c1ccc(C#N)cc1 1855146525 KGYCOBSKIIHDLX-VFNWGFHPSA-N 403.438 1.804 30 10 HDEE CC(C)N([C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1=O)[C@@H]1CCS(=O)(=O)C1 1856428074 IOLIHEPVWGJGDX-MOPGFXCFSA-N 417.531 1.516 30 10 HDEE C=C(C)CN1CC[C@@H](N2CCN(C(=O)COc3ccnc4ccccc34)C(=O)C2)C1 1856848827 SZEWNVYLGYKLSZ-GOSISDBHSA-N 408.502 1.935 30 10 HDEE Cn1cc(CC(=O)N2C[C@@H](CN3CCC(c4ncccc4C#N)CC3)CC2=O)cn1 1857244295 OCRFELUYKMIMRO-QGZVFWFLSA-N 406.490 1.484 30 10 HDEE Cc1ccc2oc(=O)n(CC(=O)N3C[C@@H](CN4CCC(CC#N)CC4)CC3=O)c2c1 1857247866 DBGVSCPZVQYEFT-QGZVFWFLSA-N 410.474 1.904 30 10 HDEE CN(C[C@@H]1CCC(=O)N(C(=O)CCC(F)(F)F)C1)C1CN(c2nccnc2C#N)C1 1857397968 VNCYGVAGIALPOH-ZDUSSCGKSA-N 424.427 1.576 30 10 HDEE C#CCOc1cn(C[C@H](c2ccc(O)cc2)N(C)C)c(CN(CC)CCO)cc1=O 1870561123 ACZWSDBYCVBPKE-OAQYLSRUSA-N 413.518 1.683 30 10 HDEE C=CCN(CC=C)c1nc(=NCCN2CCOCC2)[nH]c(=Nc2cccc(F)c2)[nH]1 1871544423 OXGWSCJTNBHPJN-UHFFFAOYSA-N 413.501 1.521 30 10 HDEE CCOC(=O)c1sc(C2=C(N)N(CCNC(C)=O)CC2=O)nc1-c1ccccc1 1873528590 CGBLJWMLKLNNNE-UHFFFAOYSA-N 414.487 1.635 30 10 HDEE C=C(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cn(C)nn1)B1OC(C)(C)C(C)(C)O1 2020856463 LHFUYRJVDXIUHK-AWEZNQCLSA-N 421.307 1.685 30 10 HDEE Cc1cc(NS(=O)(=O)CCN2C(=O)c3ccccc3C2=O)c(C)cc1C#CCO 2138953187 UVHOXWMXADVIRT-UHFFFAOYSA-N 412.467 1.685 30 10 HDEE C=C(CNC(C)(C)C)CN1CCN(C(=O)OC(C)(C)C)[C@@H]2CS(=O)(=O)C[C@H]21 2165101496 DXVXKTQJFCJARL-HZPDHXFCSA-N 401.573 1.649 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C)(C)[C@H](CNS(=O)(=O)N2CC[C@H](C#N)C2)C1 2174779557 KOBHVKQHJYVFER-HUUCEWRRSA-N 400.545 1.949 30 10 HDEE CC1(C)CC[C@@H](NS(=O)(=O)N2CC(C#N)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 2174782034 LYCPKWOLNZPBST-HUUCEWRRSA-N 400.545 1.996 30 10 HDEE CC(C)[C@H](C#N)CS(=O)(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@]2(CCOC2)C1 2174785081 VALHDXZASYFUCI-RVKKMQEKSA-N 401.529 1.870 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CN(S(=O)(=O)c3ccc(C#N)s3)C[C@@H]1CCO2 2175162313 FEJWQPKNWKNNBA-YVEFUNNKSA-N 413.521 1.924 30 10 HDEE C[C@H](NS(=O)(=O)CC1CC(=O)C1)c1nscc1B1OC(C)(C)C(C)(C)O1 2186627046 GCSJNJBTYAGXBG-JTQLQIEISA-N 400.331 1.402 30 10 HDEE CC(C)(C)OC(=O)N[C@]12CO[C@](C(=O)NCC#CB3OC(C)(C)C(C)(C)O3)(C1)C2 2243716060 IBGZZUCYUYMMMT-MXVIHJGJSA-N 406.288 1.564 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247838215 FCOLRMOLXPLMKN-OLZOCXBDSA-N 422.335 1.751 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cn(C)c(B2OC(C)(C)C(C)(C)O2)n1 2247841619 WYYPQCAQKGRKGF-ZDUSSCGKSA-N 422.335 1.610 30 10 HDEE C[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccnc(B2OC(C)(C)C(C)(C)O2)c1 2248405396 UDPIGHCAAIPGRB-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H](O)[C@@H](O)[C@@H]3CF)sc2Cl)OC1(C)C 2281967711 QTRGTPXJQKRYLZ-NHCYSSNCSA-N 405.684 1.216 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCC[C@H](O)[C@@H]1C 2282312985 DXPZZDPKZWJAFI-AAEUAGOBSA-N 401.359 1.890 30 10 HDEE C[C@H]1CC[C@H](CO)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282416184 RSOANFVEVLAHNQ-GXTWGEPZSA-N 401.359 1.829 30 10 HDEE COC(CN(C)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)OC 2282424609 DZKIUUYSSRRLRU-UHFFFAOYSA-N 405.347 1.595 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NO[C@@H]3CCOC3)c(Cl)c2)OC1(C)C 2282494376 YAMYLPUMGZDWJX-GFCCVEGCSA-N 403.693 1.638 30 10 HDEE C[C@@H]1COCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282507228 DNSRZFNHZLOGPG-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCC[C@]3(O)CCOC3)sc2Cl)OC1(C)C 2282620168 BKFRDPMJXZRJJI-KRWDZBQOSA-N 401.721 1.972 30 10 HDEE C[C@H]1OCC[C@]1(C)NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282835071 PELKGZPTNYIUJA-BZNIZROVSA-N 402.347 1.429 30 10 HDEE CC1(C)C[C@@H](O)CN(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282856064 NCEQVFQGJOEQHN-GFCCVEGCSA-N 401.359 1.829 30 10 HDEE C[C@@H]1CN(C)CC[C@@H]1NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282856303 QIXOPRWWXMHCIH-OCCSQVGLSA-N 400.375 1.666 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC34COC(CF)(C3)C4)s2)OC1(C)C 2282858988 GLIYUAXKKUSZRC-UHFFFAOYSA-N 403.306 1.597 30 10 HDEE C[C@H]1CCCN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)[C@H]1CN 2282883310 YPGWNLOLCIZRQV-JSGCOSHPSA-N 400.375 1.795 30 10 HDEE CCCC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284397407 LQLXQDWRMBXBKU-GFCCVEGCSA-N 403.331 1.969 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC(CO)(C(=O)O)C3)sc2Cl)OC1(C)C 2284435247 KNJGGDKVBAFWOC-UHFFFAOYSA-N 401.677 1.220 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1ccc(F)cc1F 2330742667 QUDKAMPKMDYRPO-UHFFFAOYSA-N 410.450 1.693 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(=NCc2c(Br)nnn2C)[nH]1 2337026783 WCXFGULYDOHAPX-UHFFFAOYSA-N 408.109 1.614 30 10 HDEE CN[C@H](C#CC1(OC)CCOCC1)[C@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2363811009 GLLUIGUTWLQMFM-OFNKIYASSA-N 416.518 1.937 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](O)(CC)[C@@H](C)NC(=O)OC(C)(C)C 2365208938 FHJPNUPDPLCGCB-CLCXKQKWSA-N 404.573 1.845 30 10 HDEE CCO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367782982 CPDHJCQFCZLFHM-ARFHVFGLSA-N 400.541 1.556 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@@H]1COCC[C@@H]1NC(=O)OC(C)(C)C 2367794560 IFNRCGLKPJNMJL-JYJNAYRXSA-N 400.541 1.475 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N=C2NCN([C@H]3CCC[C@@H](C)[C@H]3C)CN2)cc1 19332682 XQHQCJWXMUFBMZ-LBTNJELSSA-N 407.540 1.924 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2csc(Nc3ccc(OC)cc3)n2)CC1 34831501 JEPGXAPTNFORCU-UHFFFAOYSA-N 415.519 1.955 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 46541806 QTRZUQMNXNPXHA-ZDUSSCGKSA-N 403.508 1.871 30 10 HDEE O=C(NCC#Cc1ccc(N2CCNC2=O)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 96351101 WHFYSLZKKKNNKT-QGZVFWFLSA-N 420.444 1.876 30 10 HDEE N#Cc1ccc(NCC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1 109154154 NJTAJERTKONTNE-UHFFFAOYSA-N 420.516 1.369 30 10 HDEE Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H](C)n1cnc(C#N)n1 409563274 QJNRJSGTEOVTSJ-NSHDSACASA-N 405.256 1.879 30 10 HDEE CCN(CC#Cc1ccc(C(F)(F)F)cc1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 426385458 OAVQKRQPAGQMCA-MRXNPFEDSA-N 402.438 1.682 30 10 HDEE C=CCN(C(=O)CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)c1nc(C(=O)OCC)cs1 443866937 GZYQBXZXCXWJCR-UXOAXIEHSA-N 419.459 1.001 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nc(C(C)C)n(-c3ccccc3F)n2)CC1 460809281 MGAYIXDGEAPPBL-UHFFFAOYSA-N 414.485 1.590 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CCN(c4nccnc4C#N)C[C@H]3C)cc2C1=O 465264058 SXVZVSDFNQIUNL-CQSZACIVSA-N 416.441 1.481 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)C1 473365646 CBQMITDGIBCTRG-LJQANCHMSA-N 405.458 1.340 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)CN(C)Cc3nc4c(s3)CCCC4)CC2)o1 477012202 RANIMIZWMAIQKW-UHFFFAOYSA-N 414.535 1.971 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(F)cc4)C3=O)CC2)nc1 479057983 QYGZRNPUNIHRQE-IBGZPJMESA-N 422.464 1.725 30 10 HDEE CCNC(=O)N1CC[C@@H](NC(=O)Nc2c(C#N)cn(CCOC)c2C(=O)OCC)C1 481433046 HNLCDLICVMGFOR-CQSZACIVSA-N 420.470 1.108 30 10 HDEE COc1cccc(C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cccc(C#N)c2)c1 482170633 NGAKKUHVCVNCBN-LSDHHAIUSA-N 401.488 1.981 30 10 HDEE CC1(C(=O)Nc2nc(S(C)(=O)=O)n[nH]2)CCN(c2ccc(Cl)cc2C#N)CC1 493371258 UWRHDJWJSLNQTA-UHFFFAOYSA-N 422.898 1.978 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2nn(-c3ccccc3C(F)(F)F)cc2O)CC1 503608459 GWCUBFGFXSNZFW-UHFFFAOYSA-N 407.352 1.795 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 508684502 XXCWBJQAZUDSMI-OTWHNJEPSA-N 419.551 1.124 30 10 HDEE Cc1cc(NC(=O)C(=O)N2CCN(C(=O)Cc3ccccc3C)CC2)n(CCC#N)n1 532599213 PCDXFQPIUDSTBT-UHFFFAOYSA-N 422.489 1.266 30 10 HDEE Cn1cc(I)c(=O)n(CC#Cc2ccc(Cl)cc2)c1=O 537653987 LPNZMEJUEQGVCV-UHFFFAOYSA-N 400.603 1.857 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CNC(=O)N3CCc4ccccc4C3)CC2)n1 546196347 QXMGYTCDVDXNCM-UHFFFAOYSA-N 404.474 1.370 30 10 HDEE C=C(C)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](n2cc(C)cn2)C1 549688562 QTCNHWFKOKDGJM-CVEARBPZSA-N 407.544 1.811 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N1CC[C@H](c2nc(C3CC3)no2)C1 552582448 LSLIPKSUXGXGMK-DOMZBBRYSA-N 415.475 1.502 30 10 HDEE C[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cn(-c2ccccc2)nn1 562165608 ONUXWVRDCFMHBB-CQSZACIVSA-N 410.459 1.295 30 10 HDEE N#Cc1cccc(C(=O)N2CCCC[C@@H]2CCn2cc(C(=O)N3CCOCC3)nn2)c1 581818558 HUKMMDMPTFJIJT-LJQANCHMSA-N 422.489 1.707 30 10 HDEE N#Cc1ccnnc1NC[C@@H]1CCCCN1c1ccc(=O)n([C@H]2CCCC[C@@H]2O)n1 585607544 CNZIEPWQBCPASX-BZSNNMDCSA-N 409.494 1.852 30 10 HDEE COC[C@@H](NC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1)c1ccccc1 586846042 POEBAWDKPOXIGC-GOSISDBHSA-N 423.473 1.576 30 10 HDEE CNS(=O)(=O)c1ccccc1N1CCN(C(=O)COc2ccccc2C#N)CC1 609026167 OKBAATSKCJRTCQ-UHFFFAOYSA-N 414.487 1.194 30 10 HDEE CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NCc2ccnc(C#N)c2)c1 611101448 HUHREVJGZHXLIG-UHFFFAOYSA-N 401.492 1.652 30 10 HDEE N#Cc1ccc(NC(=O)CCN2CCN(c3ccccc3S(N)(=O)=O)CC2)cc1 615454850 BBDCJGUCBQQUJR-UHFFFAOYSA-N 413.503 1.356 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](c2ccco2)C1 670210380 DPUMOHVTIMQIFQ-DOTOQJQBSA-N 421.523 1.774 30 10 HDEE COc1ccc(-c2nn(CCC#N)cc2C(=O)OC[C@@H]2COCCO2)cc1[N+](=O)[O-] 729099500 FYKWHIWGRWPRCO-AWEZNQCLSA-N 416.390 1.953 30 10 HDEE COCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1OC 730140245 VHTZRIFMQJZBOX-INIZCTEOSA-N 408.524 1.341 30 10 HDEE COc1ccc(C=c2sc(=C(C#N)C#N)n(-c3ccc(F)cc3)c2=O)cc1[N+](=O)[O-] 730250897 CSJIBCAWBXIKST-UHFFFAOYSA-N 422.397 1.982 30 10 HDEE CCN1CC[C@H](CNC(=O)[C@@H](CC(C)C)/N=C2/NS(=O)(=O)c3ccccc32)C1 730937778 YCMOERVENLLZNP-NVXWUHKLSA-N 406.552 1.598 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)cc1 731767034 MGQYPZATBSUSGZ-UHFFFAOYSA-N 412.402 1.503 30 10 HDEE COc1ccc2c(c1)CCC[C@H]2CC(=O)[C@@H](C#N)C(=O)N1CCS(=O)(=O)CC1 732911289 ZCDUWYGGPCXZLC-MAUKXSAKSA-N 404.488 1.471 30 10 HDEE CCOC(=O)N1CCC(NC(=O)CCCNCc2cnc3ccc(C#N)cn23)CC1 736638984 CEEASVBDNACDKT-UHFFFAOYSA-N 412.494 1.813 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3ccc(C=O)c(Cl)c3)CC2)o1 751888769 RKXXGMBEYBISTH-UHFFFAOYSA-N 416.821 1.826 30 10 HDEE N#C[C@H]1CN(C(=O)C(=O)Nc2cccn(Cc3ccccc3)c2=O)CCN1C1CC1 756183125 WYBILNSTTBVLOJ-SFHVURJKSA-N 405.458 1.034 30 10 HDEE Cc1nn(C)c(C)c1[C@H](NC(=O)NCCN/C(O)=C1\N=CC=CC1=O)C(F)(F)F 757887623 DAISBFVVYVZPIM-MRPLLJTBSA-N 414.388 1.466 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OC)c(C#N)c2)c1=O 758049616 JBRFHJXEQXQVPI-UHFFFAOYSA-N 403.463 1.296 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H](N3CCCC3)C2)cc1 758789111 DJZHCTNMQOLFLT-QZTJIDSGSA-N 407.561 1.250 30 10 HDEE COc1ccc(-c2nnn(CN3CCN(c4cccc(C#N)n4)CC3)n2)cc1OC 760552171 NYLOKGNGODDEHO-UHFFFAOYSA-N 406.450 1.404 30 10 HDEE C#CCN(C(=O)NCC[C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCS(=O)(=O)C1 774206712 FQCIFHUXKUBEKR-JKSUJKDBSA-N 413.540 1.465 30 10 HDEE CC(C)c1nnc2n1CCN(C(=O)C/N=C1/NS(=O)(=O)c3ccccc31)[C@@H]2C 784695811 SKBMJXHBVPOZGU-GFCCVEGCSA-N 402.480 1.043 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NS(=O)(=O)Cc2ccc(C#N)cc2F)C1 790871109 NHRBQQGYEZUBFP-GOEBONIOSA-N 408.455 1.876 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCC#Cc2ccccc2)cc1 791275358 MUNNMIWAHPNRLF-UHFFFAOYSA-N 400.456 1.908 30 10 HDEE N#CC(C(=O)[C@H]1CCCOC1)=c1sc(=Cc2ccoc2)c(=O)n1Cc1ccon1 794639215 IWEKSTUMHJYBHI-AWEZNQCLSA-N 411.439 1.038 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCCN(S(=O)(=O)C2CC2)CC1 802291116 UVJSSDZQQMQMKS-UHFFFAOYSA-N 402.476 1.891 30 10 HDEE C=CC[C@]1(C(=O)NS(=O)(=O)C2(COC)CC2)CCCN1C(=O)OC(C)(C)C 811154271 AYEPIOPXPKESKE-GOSISDBHSA-N 402.513 1.957 30 10 HDEE COc1cc(C=NNc2nc(SCCN3CCOCC3)n[nH]2)cc(OC)c1OC 1084599460 UHJWOHRVKABJKW-UHFFFAOYSA-N 422.511 1.701 30 10 HDEE Cn1cc(C(=O)Nc2ccn(CCC#N)n2)c(CN2C(=O)c3ccccc3C2=O)n1 1126326209 CVCSWXQQSKZWHL-UHFFFAOYSA-N 403.402 1.579 30 10 HDEE Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)c1cc2n(n1)CCN(C)S2(=O)=O 1129393017 MLJDKFRVQFWQMQ-UHFFFAOYSA-N 411.447 1.135 30 10 HDEE CN1CCC2(CCN(C(=O)CC[C@@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)CC2)C1=O 1155908536 JPLRBMFENOOMHL-KRWDZBQOSA-N 423.473 1.234 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(Br)cc1)C(=O)N[C@H]1CCCN(O)C1=O 1159641236 HRVQGKRUAIFWMV-MFKMUULPSA-N 419.297 1.355 30 10 HDEE C[C@H]1CCc2c(sc(NC(=O)CCN[C@@](C)(Cn3cccn3)C(N)=O)c2C#N)C1 1176861408 XSKKCYDFJWJYQA-RBZFPXEDSA-N 414.535 1.803 30 10 HDEE Cc1c([N+](=O)[O-])cnc(N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)c1Br 1187783334 ONNZSARPRVYRNQ-TVQRCGJNSA-N 401.242 1.435 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)N2CCN(Cc3nc(O)c4ccccc4n3)CC2)C1 1248676709 QACXWARTGAMKDO-QGZVFWFLSA-N 408.506 1.260 30 10 HDEE Nc1n[nH]c(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1254332815 QFQRLDWQWYXAGU-WHFBIAKZSA-N 408.253 1.699 30 10 HDEE Cc1cc(CN(C(=O)NCC2(C#N)CCOCC2)C2CC2)cc(S(N)(=O)=O)c1C 1256342204 ZPCSRCWXMLAXTA-UHFFFAOYSA-N 420.535 1.945 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)OCCOC)n1Cc1ccc(NC(N)=O)cc1 1286279543 WBBDABZWLNQXJJ-CABCVRRESA-N 400.483 1.999 30 10 HDEE C#CCCCn1c([C@H]2CCCOC2)nnc1N1CCN(c2ncccc2C(N)=O)CC1 1286349645 LJBHBPFVKSALLA-KRWDZBQOSA-N 423.521 1.406 30 10 HDEE C#CCN(C)c1nnc(CNC(=O)c2cccs2)n1CCC(=O)N1CCCCC1 1286378374 RXPADKACXWHQID-UHFFFAOYSA-N 414.535 1.742 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)cc1 1286397709 PJMRUQWEVFIDQI-HNNXBMFYSA-N 401.492 1.018 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCc1n[nH]c(C)n1 1286442756 LPIUJFAXVRIMNP-UHFFFAOYSA-N 417.477 1.321 30 10 HDEE C#CCN(CCOC)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCC[C@@H](O)C1 1286469625 WJVVRQIJDNXHPU-RBUKOAKNSA-N 400.527 1.777 30 10 HDEE C#CCN1CCN(c2nnc(-c3nnc(O)c4ccccc34)n2CCCOC)CC1 1286479445 LFRWKTBUDUAVBE-UHFFFAOYSA-N 407.478 1.386 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCCC=C 1286522680 NHLXKCGOXMJFDD-YLJYHZDGSA-N 421.567 1.959 30 10 HDEE C=C(C)Cn1c([C@H]2CCCO2)nnc1N1CCN([C@@H](C)C(=O)NCCCOC)CC1 1286602166 UBMOJMLIVZHNOK-ZWKOTPCHSA-N 420.558 1.369 30 10 HDEE C=C1CCN(c2nnc(-c3cccc(C)n3)n2CCN2CCN(C(C)=O)CC2)CC1 1286645185 XXBGSEDPYLXBPV-UHFFFAOYSA-N 409.538 1.969 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H](C)c1ccccc1 1286787026 APUCVKLFXBYJAL-RDJZCZTQSA-N 417.535 1.680 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(C)C)C1 1286814352 QHBDTJXHDVAMHX-KRWDZBQOSA-N 423.583 1.987 30 10 HDEE C=CCSCCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1 1286831005 YXRDJYUCNXVJLW-UHFFFAOYSA-N 403.533 1.971 30 10 HDEE CC(C)N(C)CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1287895851 CLJJJNHMEYFQOM-LJQANCHMSA-N 422.537 1.761 30 10 HDEE CCC(CC)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1CCCc1c[nH]nc1C 1292132352 AHJBRRVJBDJYHA-KRWDZBQOSA-N 414.514 1.590 30 10 HDEE CCCN(CC)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@](F)(C#N)C1 1294504636 CNAMHLJQEMAOSU-YOEHRIQHSA-N 415.539 1.062 30 10 HDEE C=CCOC[C@@H](NC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)CC2)C(=O)OC 1297030305 UTERCLZSTWRZJL-QGZVFWFLSA-N 419.478 1.849 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)CN2CCC[C@@H](C(=O)OC)C2=O)C1=O 1297272370 FLPLKRGFIWZCHF-JLTOFOAXSA-N 424.498 1.100 30 10 HDEE C=CC1(CC(=O)Nc2nc(C)n(C)c2C(=O)NCCO)CN(C(=O)OC(C)(C)C)C1 1297489117 IESQZBGDDRPRMD-UHFFFAOYSA-N 421.498 1.202 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 1298486076 DAWPOHCNUQALSR-GOSISDBHSA-N 414.506 1.864 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1cnc2c(Cl)cnn2c1 1300303444 KNKOKBGJBTUPAJ-WFASDCNBSA-N 412.885 1.626 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1noc2c1CCCC2 1300306914 ACKKJHTXJRDWBM-ZIAGYGMSSA-N 403.508 1.553 30 10 HDEE C#CCCCn1c(COCC)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 1300423361 NBCGJBOLZQIIQT-GOSISDBHSA-N 416.570 1.797 30 10 HDEE C#CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1ccc(F)cc1 1300430975 RCKHHEGTWZRQFQ-FZKQIMNGSA-N 409.487 1.005 30 10 HDEE C#CCN(c1nnc(COc2ccc(F)cc2)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1300505188 YTOFEYBSGDZZMU-MRXNPFEDSA-N 422.482 1.269 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOCC(=C)C)CC1 1300685566 QHFNFIAUPUJUEV-QFIPXVFZSA-N 417.554 1.667 30 10 HDEE C=C(Cl)Cn1c(CNC(=O)c2cccs2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1301050909 HUPGGPLGAQUTIR-SFHVURJKSA-N 420.926 1.739 30 10 HDEE C=CCN(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@H]1CN(CC(C)C)CCO1 1301270580 JFBLLPZNEILPCJ-NQIIRXRSSA-N 407.559 1.909 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(C)COCCO2)C1 1301535447 LBTNUTRVJBGVCE-OXQOHEQNSA-N 405.499 1.101 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(CC)C1CCCC1 1301568752 XLYLLDAXNMSIKH-UHFFFAOYSA-N 409.556 1.884 30 10 HDEE CN(CCCNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccccn1 1302976397 ZXGLWFSRQZSVEM-UHFFFAOYSA-N 401.492 1.530 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CC(=O)OC)C(C)(C)C)s1 1304075696 UTXUDCNUFRHYRM-CYBMUJFWSA-N 402.538 1.849 30 10 HDEE Cc1nn(C)c(N2CCN(c3nnc(C(C)C)n3CC3(O)CCCC3)CC2)c1C#N 1304730235 BEUNJRQYHQWOEJ-UHFFFAOYSA-N 412.542 1.947 30 10 HDEE Cc1nnc(CCn2c(CN3CCCC3=O)nnc2N2CC[C@@](F)(C#N)C2)s1 1304779654 HRRXWUBSRULGGR-QGZVFWFLSA-N 404.475 1.245 30 10 HDEE CCCCn1c(N)c(N(CC)CC#CCN2C(=O)c3ccccc3C2=O)c(O)nc1=O 1307537832 KQZIMMFYQQDULW-UHFFFAOYSA-N 423.473 1.457 30 10 HDEE C=CC(C)(C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1309825504 QFIQHQFXHAZRJF-UHFFFAOYSA-N 416.565 1.978 30 10 HDEE C#CCCN(CCOC)C(=O)Nc1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 1310041494 GORIAZLVKPJIEU-IAGOWNOFSA-N 423.535 1.988 30 10 HDEE N#Cc1cn(CCNC(=O)Nc2nn(-c3ccc(F)cc3)c3c2CCC3)c(=O)nc1O 1310950412 CSMDVZWGJUQJRT-UHFFFAOYSA-N 423.408 1.456 30 10 HDEE CC(C)(CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)Oc1cc(F)cc(F)c1 1312676632 HNLJOTQXAPCXDP-KPZWWZAWSA-N 413.446 1.702 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1CCCNS(C)(=O)=O)[C@@H]1[C@H]2CCC[C@H]21 1314683299 JHXPWVLCIKWHCS-PIIMJCKOSA-N 414.535 1.991 30 10 HDEE CO[C@@H](C)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cccnn2)CC1 1315157261 RMNWYWQULQYFKY-INIZCTEOSA-N 404.478 1.968 30 10 HDEE CCN(CCC#N)C(=O)CN[C@@H](C)C1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)CC1 1317678108 VCUSMSPZSQOMRB-KUJSBWEGSA-N 402.539 1.389 30 10 HDEE COCc1cncc(C(=O)[C@@H](C#N)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1 1356060534 VEBPBUVDWGVZCY-GOSISDBHSA-N 419.441 1.987 30 10 HDEE C#CCCCn1c(-c2cccnc2)nnc1N1CCC[C@@H](n2cnc(C(N)=O)n2)C1 1358926742 ZZIPJDCTKYSGNQ-MRXNPFEDSA-N 405.466 1.285 30 10 HDEE C#CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCCN1C[C@@H](C)C[C@H](C)C1 1358939573 ZHROUSQYIJUUFF-BZSNNMDCSA-N 424.615 1.716 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCC(N(C)S(=O)(=O)CC)CC1 1359212888 AQOFLOAOMPAQBF-UHFFFAOYSA-N 421.571 1.895 30 10 HDEE CC(C)[C@@H]1CCCN1c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1/N=CC=CC1=O 1359735299 JXDZGCOTVBIQOJ-HYLQGWQCSA-N 414.510 1.933 30 10 HDEE Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H](C#N)C2)s1 1361266791 GAOFTMICSQWIMF-CHWSQXEVSA-N 410.525 1.035 30 10 HDEE CNC(=O)[C@@]1(C)CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1448616022 XSGFESLAMQTAJM-BSJYVJPASA-N 404.511 1.758 30 10 HDEE C=CCN(C)CCN(CC)C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21 1448883858 PNEILYGDGZZTTR-UHFFFAOYSA-N 406.552 1.814 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)C1 1452497653 JNDZVWOSIFSXBE-LJQANCHMSA-N 412.515 1.916 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCC(=O)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 1453496605 NAWIPYANXVNUOW-PAGUQTEISA-N 409.442 1.930 30 10 HDEE Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)CN(C)C)cc1S(=O)(=O)NCC#N 1454132376 WKMSRKJJWXDIOS-WMZOPIPTSA-N 406.552 1.989 30 10 HDEE Cn1nnnc1C1CCN(C(=O)COc2ccc(C#N)c(Br)c2)CC1 1455452827 IHNFRIRHIAQHSS-UHFFFAOYSA-N 405.256 1.629 30 10 HDEE COc1ncc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)cc1C#N 1455603740 DLFZCPCQNOHTNB-CWRNSKLLSA-N 420.491 1.010 30 10 HDEE O=C1C=COC2(CCN(C(=O)CCC(=O)N3CCN(c4ccccc4)CC3)CC2)C1 1456514720 UGKNWAHKQMNHOB-UHFFFAOYSA-N 411.502 1.980 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NCCn1cc(-c2ccccc2)nn1 1457277675 OSVJDFNGJKXWBZ-OAHLLOKOSA-N 424.486 1.300 30 10 HDEE COCCOCCN1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCC3)CC1 1460337368 XASNJCVPUTZFFI-HNNXBMFYSA-N 406.552 1.716 30 10 HDEE CC(C)(C)N1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1=O 1461158302 ABJMVCQMDJQQDZ-CVEARBPZSA-N 411.462 1.279 30 10 HDEE C=CC1(CC(=O)NC2CCN(CCC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1464841882 XVAMTAMDMDGBMW-UHFFFAOYSA-N 422.570 1.859 30 10 HDEE CC[C@H](C)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC1 1468085746 BFIDAZKIXKUONX-KRWDZBQOSA-N 418.563 1.902 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)NCc1ccc(CC#N)cc1 1469414443 LVESDPGNJORETO-KRWDZBQOSA-N 400.479 1.885 30 10 HDEE CC(C)C[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)NCCCc1ncn(C)n1 1469416067 YCHUWNCLRAMRFG-OAHLLOKOSA-N 418.523 1.017 30 10 HDEE Cn1nc(C(F)(F)F)cc1CNC(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O 1470032145 FBSWBVSZJKFEOF-OAHLLOKOSA-N 420.395 1.911 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 1471141698 VADQCQPJVDUICY-UHFFFAOYSA-N 415.515 1.815 30 10 HDEE CCOCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@@]1(C)CCCO1 1503102955 DTEFIIFSCBEPLN-OAQYLSRUSA-N 411.510 1.977 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2cccc(F)c2)C1 1505314393 CFGXFQFOUNGQTM-KSSFIOAISA-N 407.446 1.810 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)NCC1CC1 1507534513 UIMSLTYKXCNLEA-AWEZNQCLSA-N 419.489 1.176 30 10 HDEE C#CCCCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1507572317 GILUQEBYHGNJNC-SFHVURJKSA-N 401.559 1.046 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1507592872 ZPVYBKNZKGHWOZ-KRWDZBQOSA-N 404.478 1.236 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2ccncc2)nnc1N1CCS(=O)CC1 1507806175 RNAZOKKVLDOBMG-HKUYNNGSSA-N 401.536 1.814 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C#N)C1 1507806373 NDQKSHCCMYQEAF-HBFSDRIKSA-N 411.510 1.850 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCN(C(C)=O)CC2)C1 1508128223 NBKJZUMNWYPBRT-RBUKOAKNSA-N 418.542 1.075 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCCn2ccnn2)C1 1508131938 PELBPSVTWDIQHI-SFHVURJKSA-N 411.514 1.603 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1 1508388928 HURYEFWRXRBYQA-OAQYLSRUSA-N 423.477 1.374 30 10 HDEE CC[C@H](C)NC(=O)CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(C#N)C1 1513188661 FFMQDJVSLJTPNW-KKSFZXQISA-N 415.542 1.835 30 10 HDEE COCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1519402450 REEANHYHEQDXNY-UHFFFAOYSA-N 422.493 1.529 30 10 HDEE Cc1cc(N2CC[C@@H](NC(=O)Cc3ccc(Br)cc3C#N)C2=O)n(C)n1 1533576411 XAPXMPPVHCOKIF-OAHLLOKOSA-N 416.279 1.827 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCCCc3cc(OC)c(OC)cc32)C1=O 1536915086 KAQKTISGALUETO-OAHLLOKOSA-N 415.446 1.564 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccccc2OC)n1CCN/C(O)=C1/N=CC=CC1=O 1538996468 WUKDASNVGHLXDE-AYAKEVCGSA-N 420.473 1.938 30 10 HDEE C#CCN(C)c1nnc(Cc2cccnc2)n1CCCN1CCC[C@H]1C(=O)N(C)C 1539185386 GBMUDHYBFXCPNH-IBGZPJMESA-N 409.538 1.276 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H]2CC(F)(F)CO2)CC1 1539475413 FLOSZPVHSSYOJR-OAHLLOKOSA-N 418.448 1.663 30 10 HDEE C#CCSCCn1c(-c2ccccc2F)nnc1N(C)CCNS(C)(=O)=O 1539505951 ODRRUDQWFWLXKD-UHFFFAOYSA-N 411.528 1.436 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C)C(=O)[C@@H]1C 1539613033 SPHLNKMIQUAAMJ-XHSDSOJGSA-N 404.515 1.064 30 10 HDEE C=CCCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCN2C(=O)NC[C@@H]2C1 1539948043 SGTJVUMHRTZWRS-OAHLLOKOSA-N 410.482 1.496 30 10 HDEE C=CCN(CCOC)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H]1CCCOC1 1540194386 MKDWNWPCTMCVIK-QGZVFWFLSA-N 424.509 1.986 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCCN(C2CCCC2)CC1 1540871085 DFDKPSZBXRDKTR-KRWDZBQOSA-N 402.543 1.539 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1540902535 LOQUKDXESXMNHE-KRWDZBQOSA-N 423.583 1.305 30 10 HDEE C#CCNC(=O)c1ccccc1NC(=O)[C@H](C)[C@@H](O)CN(C)C(=O)OC(C)(C)C 1542624439 DCNSLOJAMQCEHQ-PBHICJAKSA-N 403.479 1.852 30 10 HDEE Cc1cc(C#N)c(O)nc1C(=O)NCCNS(=O)(=O)c1ccc(Cl)s1 1546002292 GDLBRELXGMYPCP-UHFFFAOYSA-N 400.869 1.391 30 10 HDEE CNC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1554481079 DINSFMHFVMWRNM-MSOLQXFVSA-N 410.478 1.337 30 10 HDEE CO[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)CC[C@@H]1C 1555171749 KTSVEJMMPZSVDI-YOEHRIQHSA-N 418.523 1.227 30 10 HDEE COCC[C@](C)(O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@](F)(C#N)C1 1555416857 AWQIEWTUSIQONK-OALUTQOASA-N 417.445 1.155 30 10 HDEE N#Cc1ccc(N2CCC[C@@H](NC(=O)CCCCCCS(N)(=O)=O)C2=O)cc1 1556171739 CSFJZUPGUFRHJT-QGZVFWFLSA-N 406.508 1.409 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)cc1 1556824258 ZPOXVQLPEHHOQQ-XSBJJCPUSA-N 406.442 1.814 30 10 HDEE CCCN1CCN(c2ccc(Nc3[nH]c(=O)n(C)c(=O)c3C#N)cc2Cl)CC1 1559081329 SGOXJUNWPMLOOG-UHFFFAOYSA-N 402.886 1.874 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](Cc2ccccc2OC)C(C)C)CC1 1564258070 GMBBVYMNJOBWTD-GOSISDBHSA-N 422.551 1.057 30 10 HDEE C=C[C@H](CO)NC(=O)c1cc(S(=O)(=O)NCC(C)C)ccc1Br 1585421764 MVJAENJHZLFBDC-LLVKDONJSA-N 405.314 1.660 30 10 HDEE CON(C)S(=O)(=O)c1ccc(C(=O)N2CCO[C@@H](c3ccc(C#N)cc3)C2)cc1 1585444686 DHAAWKYYEDZYGL-LJQANCHMSA-N 415.471 1.954 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)C(=O)NC 1587579003 BPPAPTIHEKFOFF-AWEZNQCLSA-N 417.535 1.579 30 10 HDEE C#CCCCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1587872383 HBAHXABGTGCUFP-UHFFFAOYSA-N 414.554 1.597 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](CC(=O)OC)c1cccc(C)c1)c1cc[nH]n1 1588056202 QHLGSTCXGVFRRK-MRXNPFEDSA-N 416.434 1.423 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1CCNC(=O)C(C)C 1588128403 KANNJLLASQXGRW-UHFFFAOYSA-N 417.473 1.439 30 10 HDEE C#CCN(CC)c1nnc(CN2CCCC2=O)n1CCC(=O)NCc1ccccc1 1588432838 IYIWQAZCXZUCIY-UHFFFAOYSA-N 408.506 1.567 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2Cc2ncnn2C(C)(C)C)CC1 1588884429 AGZZIWNFJRRWGD-UHFFFAOYSA-N 412.542 1.762 30 10 HDEE C=C(C)Cn1c(Cc2ccncc2)nnc1N1CCN(Cc2nc(COC)no2)CC1 1593655307 YBTHYZZADGDPBL-UHFFFAOYSA-N 424.509 1.692 30 10 HDEE C=CCSCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1595838393 QPPAKHMQEAGPDX-SJORKVTESA-N 422.599 1.492 30 10 HDEE Cc1c(C(=O)N2CCC(c3ccc(S(N)(=O)=O)cc3)CC2)cnn1CCC#N 1598160448 QLYSRDORJOTUJC-UHFFFAOYSA-N 401.492 1.772 30 10 HDEE COC(=O)C1(CCCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CCC1 1603228921 OTOLGPPCRQXDRQ-HNNXBMFYSA-N 421.519 1.855 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c(C#N)cn1 1611771421 IBGXHQPPDRBCOD-UHFFFAOYSA-N 400.460 1.544 30 10 HDEE CCN(CC1CC1)c1nnc([C@@H]2CCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1615531996 HOCGNPIFGLJWRK-QFPXGYFVSA-N 400.483 1.545 30 10 HDEE C#CCNS(=O)(=O)N1CCN(CCCN2CCC(Cc3ccccc3)CC2)CC1 1616926093 ALCMPZVTYMFXGH-UHFFFAOYSA-N 418.607 1.416 30 10 HDEE Nc1ccc(I)cc1C(=O)NCc1ccc(C(=O)NO)cc1 1618007091 DTMFVQQJENGPQH-UHFFFAOYSA-N 411.199 1.922 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(C)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1619536842 BYDYEWBGNAJBLP-QGPMSJSTSA-N 412.498 1.015 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(N(C)C)nc1 1620025594 QWSAUCIUDPTMRZ-NVXWUHKLSA-N 415.498 1.240 30 10 HDEE CS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1C[C@@H](C#N)[C@H](c2ccccc2)C1 1620166352 SRSDBSVHWYIGCC-KSZLIROESA-N 415.519 1.570 30 10 HDEE CCOc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C#N)CO)ccc2C)cc1 1624090355 CBCHZKNMQQKBKV-MRXNPFEDSA-N 403.460 1.809 30 10 HDEE CN1CCN(CCNC(=O)C#CC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C 1626076091 WHSVDMJLBDOOKU-UHFFFAOYSA-N 406.571 1.779 30 10 HDEE Cc1ccc2nnc(CNC(=O)CC[C@H]3NC(=O)N(c4ccc(C#N)cc4)C3=O)n2c1 1626865774 VBCGMWDFUZKETF-MRXNPFEDSA-N 417.429 1.431 30 10 HDEE C=CC1(CC(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)CN(C(=O)OC(C)(C)C)C1 1628741839 PALKQJCJBKMFPF-RBZFPXEDSA-N 406.483 1.294 30 10 HDEE CCN1CCN(CCCNC(=O)COc2ccc(C#N)c(Br)c2)CC1 1629924619 WHJZPGHVYNDFBH-UHFFFAOYSA-N 409.328 1.843 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)/C=C/c2ccc(S(C)(=O)=O)o2)C1 1632533297 SIYCGUZVKSYTDG-LFHSMUGYSA-N 409.464 1.572 30 10 HDEE C=C(CCC(=O)OC)C(=O)N1CCN(c2ncc(Br)c(OC)n2)CC1 1634999660 LITDOKMCHUVTPY-UHFFFAOYSA-N 413.272 1.406 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H]2C(=O)NC(C)(C)C)s1 1635458722 FJFZZKHMGKQZFA-AWEZNQCLSA-N 413.565 1.661 30 10 HDEE CS(=O)(=O)CC1(C(=O)N2CCN([C@H](C#N)c3cccc(Cl)c3)CC2)COC1 1635679404 BHNMPPWNONQTCW-MRXNPFEDSA-N 411.911 1.110 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)N2CCN(CC(F)(F)F)C(=O)C2)CC1 1636107440 ITPAELVTTFLWNH-UHFFFAOYSA-N 417.428 1.870 30 10 HDEE CCCN(C(=O)[C@H](CCCCC#N)NC(=O)OC(C)(C)C)[C@H]1CC(=O)N(C)C1=O 1639351775 WGUFLDRXIHTOSZ-GJZGRUSLSA-N 408.499 1.960 30 10 HDEE Cc1cc(F)c(C#N)cc1NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 1644880049 DUNAJNYZWPZKNA-UHFFFAOYSA-N 418.450 1.742 30 10 HDEE Cc1c(O)nc(CCN(C)C(=O)COc2cccc(Br)c2C#N)nc1O 1645354784 GSXFCJBHBXNSLR-UHFFFAOYSA-N 421.251 1.910 30 10 HDEE C#CC[C@@H](CCOC)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1648126447 KUJLTRBBJVSFJT-AWEZNQCLSA-N 417.325 1.662 30 10 HDEE C#CCNS(=O)(=O)N1CCN(c2c(C#N)cnc3c(F)c(F)c(F)cc23)CC1 1652161933 BUKCSWGBLIEPOS-UHFFFAOYSA-N 409.393 1.113 30 10 HDEE COC(=O)CCC1(NC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)CCCCC1 1652545931 PISQRSMVSJBASS-UHFFFAOYSA-N 421.519 1.888 30 10 HDEE C=C(Cl)C[C@@H](NS(=O)(=O)c1ccc2c(c1)CS(=O)(=O)C2)C(=O)OCC 1664951119 HKSYFAHIPMSIMI-CQSZACIVSA-N 407.897 1.468 30 10 HDEE C=CCC1(NC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CCOCC1 1666981401 TVQIIRHPQZRYAR-UHFFFAOYSA-N 423.539 1.410 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCCC[C@H]2CNC(C)=O)c(C#N)cn1CCOC 1668605595 IFPQDKDSSKXLSY-INIZCTEOSA-N 419.482 1.705 30 10 HDEE C#CCN1CCC(NC(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)CC1 1672340200 OCSNLXXLMKESQG-UHFFFAOYSA-N 404.474 1.763 30 10 HDEE N#Cc1cn(CCNC(=O)NCCc2nc3cc(Cl)ccc3s2)c(=O)nc1O 1678691404 AFZHNWHWENWAGV-UHFFFAOYSA-N 418.866 1.626 30 10 HDEE COc1cc(CN2CC[C@H](NC(=O)NCC3(C#N)CCOCC3)C2)cc(OC)c1 1678748741 GYBBYCKXVAWIDY-KRWDZBQOSA-N 402.495 1.898 30 10 HDEE C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CCC(Oc2ncccc2C#N)CC1 1680304669 WEPBULDMNMDPGK-ZLPCBKJTSA-N 414.510 1.405 30 10 HDEE COc1cc(CNC(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)ccc1C#N 1680912440 DMLVFHKQVPSGJZ-JKSUJKDBSA-N 404.467 1.736 30 10 HDEE CNC(=O)C[C@H](C)NC(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 1681194152 OMGSTGBMEOARLE-LBPRGKRZSA-N 401.446 1.222 30 10 HDEE C[C@@H](NC(=O)N1CC(n2cc(C#N)c(O)nc2=O)C1)[C@H]1CCCN(C2CCC2)C1 1681273350 MZVCYRUQCPKWOY-KGLIPLIRSA-N 400.483 1.040 30 10 HDEE COc1ccc(C(=O)N2CCN(C(=O)NCc3nc(C#N)cs3)CC2)c(OC)c1 1685524571 DQVFEWOBHVQWJV-UHFFFAOYSA-N 415.475 1.700 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)N1CCCN(S(=O)(=O)c2ccc(OC)cc2)CC1 1686531480 HLMWCBNJVOIMHW-MOPGFXCFSA-N 423.535 1.835 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(C)C)n1CC(F)(F)C1(OC)CCOCC1 1689823918 COXGUPQAERSBRG-AWEZNQCLSA-N 413.469 1.705 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCCCCO 1689834869 AXFWGUYIPLWIOB-INIZCTEOSA-N 419.551 1.816 30 10 HDEE C#CCCCn1c(Cc2csc(C)n2)nnc1N1CCC(NC(=O)COC)CC1 1689934186 MJMYPUCHIUMMGX-UHFFFAOYSA-N 416.551 1.779 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CCOc1ccc(C)cc1 1690092507 LEMSADIAEIOMKB-UHFFFAOYSA-N 411.506 1.988 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)NC(C)C)n2CCN(C)Cc2ccccc2)CC1 1690110414 LMVOKAUOCVLFJE-UHFFFAOYSA-N 423.565 1.304 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC[C@H](C)C2)CC1 1690111572 FNJLDXJBJBXMQM-ULQDDVLXSA-N 408.572 1.080 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(Cl)cc3)n2CC(=O)N(C)CC)CC1 1690115616 MVUFUDVYYVXSLY-UHFFFAOYSA-N 400.914 1.832 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)N(C)C)CC1 1690128365 BQGVQYKAHGBCMK-HXUWFJFHSA-N 419.533 1.915 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(CO)c1 1690206279 LSOUMBCNHMFEMZ-GHTZIAJQSA-N 414.531 1.713 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](Cn2nc(C)cc2C)C1 1690342242 GKBDODPGJMMOPP-JKSUJKDBSA-N 419.917 1.700 30 10 HDEE C=CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CCCCC2)C(=O)C1 1690629475 ZACFSNOIYLTIJO-AWEZNQCLSA-N 410.544 1.056 30 10 HDEE CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1690854249 YZQVWEVELLHKGV-OAHLLOKOSA-N 405.462 1.834 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCOC2)n1C[C@H]1CCOC[C@@H]1OC 1698061229 NBNCOZDHBPVALU-KURKYZTESA-N 407.515 1.590 30 10 HDEE CC(C)C#CC(=O)NC1CCC2(CC1)CN(C(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)CCO2 1702858845 NTFXFCQGDSLGLW-GNBHSNQFSA-N 400.519 1.726 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)N(C)C 1705482408 YLHBZPCHVOBZKM-CQSZACIVSA-N 421.523 1.312 30 10 HDEE C#CCN(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CCNS(C)(=O)=O 1705549817 JHGZHUBZLJCKKW-UHFFFAOYSA-N 400.464 1.219 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[C@@]1(O)C[C@H]2CC[C@H]1C2 1705604717 SDTGWPFEARQUIB-IUVQAAGXSA-N 409.556 1.289 30 10 HDEE C#CCN(CCOC)c1nnc([C@]2(OCC)CCOC2)n1Cc1nnc(C)s1 1705622589 MUMSUWMCDZCMGR-SFHVURJKSA-N 406.512 1.224 30 10 HDEE C#CCN1CCN(c2nnc(Cc3c(F)cccc3F)n2CCCNC(C)=O)CC1 1705640591 XTULFOJBIVFPEG-UHFFFAOYSA-N 416.476 1.429 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2CCN2CC=CCC2)CC1 1705653062 XQIASYJMQZBLHF-UHFFFAOYSA-N 400.527 1.042 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cnccn2)n1CCN/C(O)=C1/N=CC=CC1=O 1705671883 AZEDZZBEPPUVKT-GAJRUTHPSA-N 418.461 1.254 30 10 HDEE C=C(C)Cn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 1705728076 UDNKIXBYIAQILD-SFHVURJKSA-N 401.559 1.193 30 10 HDEE C=C(C)COCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CC[C@@H](C(N)=O)C1 1705737598 VXMSKZACVQOWPP-QAPCUYQASA-N 413.478 1.695 30 10 HDEE C=CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@](C)(O)c1cc(C)oc1C 1705835104 ZWAQKGZOADOIHQ-FZKQIMNGSA-N 411.528 1.628 30 10 HDEE CC(C)CCN(CCC#N)c1nnc(C(=O)NC(C)C)n1C[C@]1(C)CN(C)C1=O 1706463398 UIRVZTDPALVUAT-FQEVSTJZSA-N 403.531 1.661 30 10 HDEE C[C@H](NS(C)(=O)=O)c1nnc(N(C)[C@H](C)CC#N)n1CCN1CCC[C@@H](C)C1 1708084741 DTPKOQJHWWDSBV-OAGGEKHMSA-N 411.576 1.359 30 10 HDEE CCO[C@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1710463540 GOPGLAHYCPLCDQ-VBKZILBWSA-N 414.466 1.145 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1NC(=O)CC1(C)C 1712453991 FQELSDNRLHYSLE-HOTGVXAUSA-N 404.515 1.801 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCO[C@H](C#N)C2)n1C[C@@H]1CCCCN1C1CC1 1712567963 YESUBPOMXSTDFL-NZSAHSFTSA-N 418.542 1.748 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2CCn2cc(Br)cn2)CCO1 1712884055 FSLSJKJGHYWWIY-CYBMUJFWSA-N 417.271 1.661 30 10 HDEE C#CCOCCC(=O)N1CCC([C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@@H]43)C2)CC1 1722105760 KAFIBXWUNFWFIM-NHHWGVFUSA-N 400.519 1.537 30 10 HDEE C#CCCCn1c(Cc2c(F)cccc2F)nnc1N1CCN2C(=O)NC[C@@H]2C1 1722335289 ANPAADRGJGXYHV-CQSZACIVSA-N 400.433 1.774 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2CC(=O)NCC(F)F)CC1 1722435612 PYZKOIJPRSMKEZ-UHFFFAOYSA-N 418.448 1.090 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)C(C)C)CC1 1722445508 SIUQGEJJWQABOK-UHFFFAOYSA-N 409.538 1.646 30 10 HDEE C#CCN(CCOC)c1nnc(C2CCC2)n1C[C@H](N1CCOCC1)C(F)(F)F 1722446575 DTCOONFZDVQOFF-INIZCTEOSA-N 415.460 1.895 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC1(N(C)C)CCCCC1 1722450009 YCDFELGSBOAMIM-KRWDZBQOSA-N 402.543 1.580 30 10 HDEE C=C(C)CN(CC)c1nnc(C(=O)N2CCCC2)n1CCCN1CCC(O)CC1 1722499162 FFOJROVSWXNOBB-UHFFFAOYSA-N 404.559 1.763 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCCC(C)(C)C1 1722725661 QFCXNJZYXQNFOQ-UHFFFAOYSA-N 409.556 1.741 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(C)o2)nnc1N1CCNC(=O)[C@@H]1CC 1722750255 MITJBMXQKWESIU-AWEZNQCLSA-N 407.496 1.162 30 10 HDEE C[C@@]1(C#N)CCCN(c2nnc(CN3CCCC3=O)n2C[C@]2(C)COCCO2)C1 1724015617 PEFZYRXDBRZUIJ-VQTJNVASSA-N 402.499 1.336 30 10 HDEE CCN(C)c1nnc(Cc2ccccc2OC)n1CCN/C(O)=C1\N=CC=CC1=O 1728279473 CBHKWVPQCQGFIG-FMQUCBEESA-N 410.478 1.860 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2CCOCC2)cc1 1731184252 GBKKRAVUOMFDNA-UHFFFAOYSA-N 401.492 1.478 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CCCNC(C)=O 1740537439 UYWFYOBRZWUMBI-AWEZNQCLSA-N 415.494 1.955 30 10 HDEE C#CCCCn1c(N2CCN(C[C@@H]3CCOC3)CC2)nnc1[C@]1(OCC)CCOC1 1740596616 IRQXMIUVPBGGSB-UGKGYDQZSA-N 417.554 1.502 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCCS1 1740657118 PYNMBPILMOVIMX-IAGOWNOFSA-N 406.577 1.929 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCc2cnn(C)c2)CC1 1740691423 CMKZBBQLKPBBHH-UHFFFAOYSA-N 414.517 1.938 30 10 HDEE C=C(C)Cn1c(Cc2cccnc2)nnc1N1CCN([C@H](C)C(=O)N2CCCC2)CC1 1740784498 VSXUCCRVCSCMFD-LJQANCHMSA-N 423.565 1.973 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1740791323 BNKGJZIIRPCLTO-INIZCTEOSA-N 411.510 1.823 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C 1740989533 PUKAWIKCZYAJEC-AWEZNQCLSA-N 421.498 1.352 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CC1CCC1 1740992503 RBFJYNCCLHKUJU-HNNXBMFYSA-N 416.569 1.017 30 10 HDEE C[C@@H]1CCCCN(c2nnc(-c3cnccn3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1743048754 NSLZEBJNLZNHEJ-MEUCICPISA-N 422.493 1.888 30 10 HDEE C#CCCCn1c([C@H]2CCOC2)nnc1N1CCC(Oc2ccnc(C(N)=O)c2)CC1 1748751026 APBRGILAAWZILZ-INIZCTEOSA-N 424.505 1.737 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CCSCC(F)(F)F 1748906071 OTVWMPIPNANMNH-NSHDSACASA-N 413.491 1.643 30 10 HDEE C#CCN1CCN(c2nnc(CCc3ccc(OC)cc3)n2CC(=O)NCCC)CC1 1748994392 FJIDYUUOJNSBPC-UHFFFAOYSA-N 424.549 1.353 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CCC(N2CCNC2=O)CC1 1749032021 RMCYOUQADDAVOD-UHFFFAOYSA-N 413.551 1.644 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CCCOC(F)F 1749053799 LZBQTXOHJSVVOA-BLLLJJGKSA-N 405.471 1.510 30 10 HDEE C=C(C)COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(C)(C)OC[C@@H]1C 1749210958 PVEZCYXJZLTYSR-GJZGRUSLSA-N 415.560 1.485 30 10 HDEE C=CCCOCCn1c([C@H](C)CC)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 1749445850 ZNVJPVWLNWKYRC-QGZVFWFLSA-N 420.558 1.558 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2)nnc1N1C[C@@H](CC)[C@@H](N2CCOCC2)C1 1749659801 JQQPHCQWFOLRFF-QUCCMNQESA-N 424.549 1.794 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnccn3)n2CC2([S@](C)=O)CCC2)C1 1749705002 FBHZYNNFYDSNRX-JMGYQRAPSA-N 402.524 1.818 30 10 HDEE COCCOCCn1c(-c2noc3c2COCC3)nnc1N1CCC(CC#N)CC1 1750105633 VFQKWZRCDRJQGN-UHFFFAOYSA-N 416.482 1.799 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(C)c(C)c2)n1CCNS(C)(=O)=O 1760123677 KCFYHRUHDWWYBY-INIZCTEOSA-N 405.524 1.481 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@](C)(OC)C1CC1)[C@H]1CCS(=O)(=O)C1 1760192105 DTSXVJMAPCIVDV-LPHOPBHVSA-N 410.540 1.256 30 10 HDEE C#CCN(CC)c1nnc(COc2ccc(OC)cc2)n1Cc1ccc(C(N)=O)nc1 1760239855 YDDXBOCGXBKAIN-UHFFFAOYSA-N 420.473 1.867 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3C)n2CCS(=O)(=O)CC)CC1 1760258469 MLLVAWKAYWEJKT-UHFFFAOYSA-N 401.536 1.443 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2cnc(C)s2)CC1 1760263880 SJDHJZNHZXDLSF-WMZOPIPTSA-N 416.551 1.571 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2ccsc2)n1C[C@@]1(O)CCS(=O)(=O)C1 1760296532 RDYFHPFJSJCSON-MOPGFXCFSA-N 420.560 1.472 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](n2cncn2)C1 1760373788 BUYRGUCZFRXDNB-KGLIPLIRSA-N 411.919 1.366 30 10 HDEE C=CCCCCn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 1760426322 NPMVQBMYUCOMLP-UHFFFAOYSA-N 421.571 1.895 30 10 HDEE C=CCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1760436269 NQTIPLBYUPUBAD-MRXNPFEDSA-N 412.542 1.434 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCS(=O)(=O)N(C)C 1760459985 MYOFNUILRBWSCD-UHFFFAOYSA-N 409.512 1.476 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCOC2)n1Cc1nnn(C)n1 1760480347 RWVTVHQVRRQWBJ-KRWDZBQOSA-N 405.466 1.418 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H]2CCCC[C@H]2C1 1760515517 WPRVKFCVNOOKRG-IRXDYDNUSA-N 400.527 1.833 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1760552550 RWNXUQRWFCHSSR-CVEARBPZSA-N 404.540 1.547 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)CCC2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1761210907 RHBIOJLCJVVVEW-FBMGVBCBSA-N 415.498 1.179 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@@H](C#N)C3)n2CC(C)(C)CN(C)C)cs1 1762296201 IUOLWOTVPSLBAP-INIZCTEOSA-N 403.556 1.950 30 10 HDEE CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(C#N)o2)C[C@@H]1C 1765510121 LKBGEYKSIGRNCQ-HNNXBMFYSA-N 420.477 1.969 30 10 HDEE CCOCCn1c(-c2cccc(C#N)c2)nnc1N(CCS(C)(=O)=O)C1CC1 1766583143 GLVRSLLZWROLOM-UHFFFAOYSA-N 403.508 1.867 30 10 HDEE CCO[C@]1(c2nnc(N(C)[C@H](C)CC#N)n2C[C@H]2NC(=O)CC2(C)C)CCOC1 1767374377 LDXYOORIIGWZNY-STXHMFSFSA-N 404.515 1.583 30 10 HDEE Cn1cc(-c2nnc(N3CC[C@@](F)(C#N)C3)n2CCC(=O)NCc2ccccc2)cn1 1767455082 ACOWVPPRTRHBIZ-OAQYLSRUSA-N 422.468 1.827 30 10 HDEE CCOCc1nnc(N(C)C[C@H](C)C#N)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1767766825 VCIBMJGHAAGXEN-BRWVUGGUSA-N 424.571 1.615 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H]1CCOC1 1772660068 UJVDRBNBTZSKPL-CQSZACIVSA-N 411.915 1.819 30 10 HDEE O=C(ON1C(=O)c2ccccc2C1=O)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1 1772790351 QOIVUZIGTGLSTE-KRWDZBQOSA-N 414.439 1.984 30 10 HDEE CN1C(=O)[C@@H]2CN(C(=O)C3CCN(c4c(C#N)cnc5ccccc45)CC3)C[C@@H]2C1=O 1848518676 PUFJLDPKWQFAAX-HDICACEKSA-N 417.469 1.396 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(F)c1)C(=O)N1CCC(N2CCC(C#N)CC2)CC1 1848997298 IWELNIMVPXNAQG-OAHLLOKOSA-N 422.526 1.719 30 10 HDEE N#C[C@@H]1CN(C(=O)CCCN2CCS(=O)(=O)CC2)C[C@@H]1c1ccccc1Cl 1850415013 IWAXNGJKFRIDSN-WBVHZDCISA-N 409.939 1.916 30 10 HDEE Cc1nn(CC(F)(F)F)c(NC(=O)[C@@H]2CCCN(c3cnn(C)c(=O)c3)C2)c1C#N 1851837121 APRVZVXGEFRVBV-GFCCVEGCSA-N 423.399 1.574 30 10 HDEE N#Cc1ccc(N2CCN(CCOC(=O)c3n[nH]cc3Br)CC2)nc1 1851837813 QSCCFENDHIMYCO-UHFFFAOYSA-N 405.256 1.418 30 10 HDEE N#Cc1cc(Br)cnc1NC(=O)CCCN1CCS(=O)(=O)CC1 1853107570 JKBABAQVHDEPEX-UHFFFAOYSA-N 401.286 1.165 30 10 HDEE Cn1cccc1C(N)=NOCCC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 1853543189 QFXPZOXOMOLBCB-MRXNPFEDSA-N 413.526 1.776 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3C[C@@H](F)[C@H](OC)C3)ccc21 1853626697 DZBUIZUKHDIZCR-NVXWUHKLSA-N 410.467 1.816 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cc(OC)cc(OC)c2)C1=O 1853829369 VFAFISWKTDHRKO-OALUTQOASA-N 415.490 1.554 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(C[C@@H]2CN(C(C)=O)CCO2)C2(CCCC2)C1=O 1854211361 VCYBSOFFWZGKTA-MJGOQNOKSA-N 405.539 1.820 30 10 HDEE CC(=O)CCC(=O)N1CCC[C@H](N2CCC(COc3cc(C#N)ccn3)CC2)C1=O 1854343988 FIPTZADFPQXCOG-IBGZPJMESA-N 412.490 1.931 30 10 HDEE N#CCC(=O)N1CCC[C@@H](N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)C1=O 1854357510 PGYCISSFTNAOSG-IAGOWNOFSA-N 423.922 1.933 30 10 HDEE C#CC[C@@H](F)C(=O)O[C@H]1CON(S(=O)(=O)c2ccccc2OC(F)(F)F)C1 1854605927 MEYWYLOZURHIQU-GHMZBOCLSA-N 411.329 1.794 30 10 HDEE CSc1ccc(CCC(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855028955 JKOPZOKZIKCUIT-SFHVURJKSA-N 400.548 2.000 30 10 HDEE N#Cc1ccc(CC(=O)N2C[C@@H](CN3CCN(c4ccnnc4)CC3)CC2=O)cc1 1856327848 JUHXZVBLKZMOPK-LJQANCHMSA-N 404.474 1.088 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(Cc3cn4ccccc4n3)C(C)(C)C2=O)CC1=O 1857177187 TUJFDFXCPRNHJO-INIZCTEOSA-N 409.490 1.318 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)C2CC3(C2)CC(F)(F)C3)C1)[C@@H]1CCN(C)C1=O 1857240853 YSWHLXHTNHVNEY-GOEBONIOSA-N 409.477 1.906 30 10 HDEE C=CCCC(=O)N1C(=O)CCc2cc(S(=O)(=O)N3CCC(=O)N(C)CC3)ccc21 1857247976 GKBMZPSQPXDRFD-UHFFFAOYSA-N 419.503 1.311 30 10 HDEE N#CC1CCN([C@@H]2CCN(C(=O)c3cnc(O[C@@H]4CCOC4)c(Cl)c3)C2=O)CC1 1857266611 KJXHGOPWMVVSPV-NVXWUHKLSA-N 418.881 1.879 30 10 HDEE N#Cc1cccc(C(=O)N2CCC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2)c1 1860620500 XZOLDIYMFFKVGQ-UHFFFAOYSA-N 420.469 1.988 30 10 HDEE N#Cc1ccnc(OCC2CCN(C(=O)C[C@@H]3CSc4nccc(=O)n43)CC2)c1 1891125981 FZXWDMHGMQVPAN-MRXNPFEDSA-N 411.487 1.864 30 10 HDEE COc1ccccc1OCC#CCNC(=O)CNS(=O)(=O)c1ccc(C)cc1 1891737331 RSDKAMYYVUDGPB-UHFFFAOYSA-N 402.472 1.481 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](O)CN=c1cc(B2OC(C)(C)C(C)(C)O2)c(F)c[nH]1 1903644100 SOEGKYKESWXNKY-LBPRGKRZSA-N 411.283 1.239 30 10 HDEE CC(C)(C)OC(=O)NC1(C(=O)N2C[C@@H]3C(B4OC(C)(C)C(C)(C)O4)[C@H]3C2)COC1 1985102982 ONVXOXXDJOODAG-STQMWFEESA-N 408.304 1.831 30 10 HDEE C#CCN(C1CCOCC1)S(=O)(=O)C[C@@](C)(F)CN1C(=O)c2ccccc2C1=O 2108230525 JQHVUWLAGHBWKC-FQEVSTJZSA-N 422.478 1.455 30 10 HDEE C#CCN(CC(F)(F)F)C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C 2123465402 ATMMFAKSQQGGPB-LLVKDONJSA-N 400.419 1.339 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2ncnc(Cl)c2C#N)[C@@H]2CS(=O)(=O)C[C@@H]21 2162863298 QINLBPFSNVOLNS-NEPJUHHUSA-N 413.887 1.224 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)sc1CN(C)C(=O)CCS(C)(=O)=O 2177812169 IFBZPPUXEZEOIG-UHFFFAOYSA-N 401.359 1.749 30 10 HDEE C#CCN(C(=O)[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F)[C@@H]1CCS(=O)(=O)C1 2180092792 NZEWZRTYVXHSGC-OLZOCXBDSA-N 406.451 1.138 30 10 HDEE CN(C(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1)C1CN(C(=O)OC(C)(C)C)C1 2243418465 DJXFTCWUQSMRDN-UHFFFAOYSA-N 406.292 1.400 30 10 HDEE C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1cnn(C)c1B1OC(C)(C)C(C)(C)O1 2247779309 QWTNAWZPCNDSII-CYBMUJFWSA-N 422.335 1.610 30 10 HDEE Cc1nc(NC(=O)CON(C)C(=O)OC(C)(C)C)ncc1B1OC(C)(C)C(C)(C)O1 2248401378 ICVOJTOLSDQHPX-UHFFFAOYSA-N 422.291 1.821 30 10 HDEE CN(Cc1csnn1)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2267370004 FKNMFPPSFPNOII-UHFFFAOYSA-N 401.344 1.720 30 10 HDEE Cn1nc(C(=O)NC[C@@H]2CSCCS2)c(B2OC(C)(C)C(C)(C)O2)c1Cl 2282037075 QVDDDWZKSQYONM-SNVBAGLBSA-N 417.793 1.951 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@]2(C)CCCN2)sc1B1OC(C)(C)C(C)(C)O1 2282319355 RVXKTFGYJYFROM-KRWDZBQOSA-N 400.375 1.776 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H](CCO)C(F)F)sc1B1OC(C)(C)C(C)(C)O1 2282321473 XNTXOZZWRKENGO-JTQLQIEISA-N 411.301 1.650 30 10 HDEE CC1(C)CN[C@H](CNS(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282417303 HFDIROSILSXLTL-LBPRGKRZSA-N 400.375 1.714 30 10 HDEE CN([C@@H]1CCCOC1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282493727 VWIMUTLMABRIHT-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE C[C@@H]1CCOCCN1S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282503679 DICSGVNOPJVCGO-GFCCVEGCSA-N 402.347 1.383 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)NC[C@H]3CNC(=O)O3)cc2Cl)OC1(C)C 2282828236 KZIVSGGPLCHSDF-MRVPVSSYSA-N 422.721 1.087 30 10 HDEE CN1CC[C@@H](CN(C)S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2282855101 ZISHSVKTPKVBIF-CYBMUJFWSA-N 400.375 1.620 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C)C(=O)O 2284403476 RYTAKDPMGOAGHC-SNVBAGLBSA-N 421.371 1.450 30 10 HDEE C=C(CS(=O)(=O)N1[C@@H](C(=O)O)CS[C@@H]1C1CC1)B1OC(C)(C)C(C)(C)O1 2284416063 TWQGFLSLABEVRO-CHWSQXEVSA-N 403.331 1.742 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)C[C@@H]2OCCC[C@H]21 2288372447 YTHUIPCPEKHDCC-XBQNPMMNSA-N 402.513 1.727 30 10 HDEE CCN[C@@H](C#CC1(SC)CC1)[C@]1(NC(=O)OC(C)(C)C)CCS(=O)(=O)C1 2336248100 KLWJZQRQHPTROQ-KSSFIOAISA-N 402.582 1.946 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)ncn2C)C1 2362338038 BPQZSGRNVCAKBG-UONOGXRCSA-N 405.304 1.333 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367789261 RETXDJHBIQVVKQ-XHSDSOJGSA-N 400.541 1.570 30 10 HDEE C[C@@H](C[C@H](C#CC1(S(C)(=O)=O)CC1)OCCC(=O)O)NC(=O)OC(C)(C)C 2367794309 HDRNJEVUOPQRHC-KBPBESRZSA-N 403.497 1.730 30 10 HDEE CCN[C@@H](C#CC1(S(C)(=O)=O)CCC1)COC[C@H](C)NC(=O)OC(C)(C)C 2367797820 XERDCVKEAWEVMF-HOTGVXAUSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H](O)[C@H]1[C@H](C)CCN1C(=O)OC(C)(C)C 2367817748 NPOUSEOKDJBPAH-FPCVCCKLSA-N 400.541 1.161 30 10 HDEE CCc1nnc(CNC(=O)CSc2n[nH]c(N/N=C(\C)c3ccc(N)cc3)n2)o1 59879560 RLPSUSABBVUCFT-UFFVCSGVSA-N 415.483 1.577 30 10 HDEE C[C@H](C(=O)N(C)CCC#N)N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1 96965919 LEXCHKBRQHIOAS-CYBMUJFWSA-N 400.451 1.032 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)CC1 111224653 NMCPRXHHCKTQLH-GOSISDBHSA-N 407.540 1.116 30 10 HDEE C=CCN1C(=O)C(c2ccc(OCC(C)C)cc2)=C(N2CCN(CCO)CC2)C1=O 170010531 QIFRIGJZQBOCHO-UHFFFAOYSA-N 413.518 1.597 30 10 HDEE C=CCN1C(=O)C(c2ccc(Cl)cc2Cl)=C(N2CCN(CCO)CC2)C1=O 170065162 NWNACMRZLKTZSM-UHFFFAOYSA-N 410.301 1.869 30 10 HDEE C=CCNC(=O)[C@H](C)Sc1nnc(N/N=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)[nH]1 253562906 DUPYMEUESNXQQU-PCYPHTAMSA-N 420.411 1.850 30 10 HDEE C[C@H](C(=O)N1CCCN(c2nnc(C(F)(F)F)s2)CC1)n1cnc(C#N)n1 409973499 FPGAMPRJVGOJNX-SECBINFHSA-N 400.390 1.320 30 10 HDEE CCOC(=O)[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)cc1 427274120 KOKSGKUXYSXNRZ-ZDUSSCGKSA-N 416.459 1.744 30 10 HDEE COCCS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(C#N)c2)cc1 428397407 HQGSGNYJHFOVMZ-UHFFFAOYSA-N 412.464 1.596 30 10 HDEE CCOC(=O)[C@@](C)(NCC(=O)N[C@](C)(C#N)C(C)C)c1ccc(S(C)(=O)=O)cc1 430258095 BKPVZDCJFVTUOS-UXHICEINSA-N 423.535 1.512 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CCOC2(CCSCC2)C1 434462561 GRWLJHWKNFLUKA-HOCLYGCPSA-N 423.560 1.786 30 10 HDEE Cn1cc(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)c(C(F)(F)F)n1 439188187 PZMSGROWCHYHHZ-UHFFFAOYSA-N 400.382 1.542 30 10 HDEE CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NC1CCC(Oc2ncccc2C#N)CC1 446633683 IBRFYQSGPUSDAE-AQFXKWCLSA-N 421.523 1.366 30 10 HDEE CS(=O)(=O)Cc1nc2ccccc2n1CC(=O)NCCOc1ccc(C#N)cc1 460267153 OLKQYFNIDSJSCA-UHFFFAOYSA-N 412.471 1.648 30 10 HDEE C[C@@H]1[C@@H](NC(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC(=O)N1Cc1ccccc1 466843915 GRSOJTZNBZTXIM-XLIONFOSSA-N 418.501 1.974 30 10 HDEE C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N(C)C)C1)C(C)C 480542529 PJXJWTSLFVUMRJ-ZWKOTPCHSA-N 400.589 1.750 30 10 HDEE CNS(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C#N)cc2F)cc1 481059464 YYXAXYMKWGRPLE-LBPRGKRZSA-N 411.480 1.786 30 10 HDEE N#Cc1cnn(-c2ccc(C(=O)N[C@@H]3CCN(Cc4ccc(F)cc4)C3=O)cc2)c1N 482573686 BWUZTEPNPHNAES-LJQANCHMSA-N 418.432 1.996 30 10 HDEE N#Cc1cc(S(=O)(=O)NCc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1F 488765920 WTNNNYIXRDPTHD-UHFFFAOYSA-N 423.491 1.960 30 10 HDEE Cc1cc(N2CCN(S(=O)(=O)c3cnc(C)c(C#N)c3)CC2)nc(C(C)C)n1 489080752 UVGTXTNUGDFHTE-UHFFFAOYSA-N 400.508 1.994 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2SCCOC)CC1 492946734 SMVLMTVHOFDKMA-UHFFFAOYSA-N 422.507 1.393 30 10 HDEE C[C@H](Cc1ccncc1)NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 492963272 RPERGDMZLBPAFI-MRXNPFEDSA-N 413.503 1.600 30 10 HDEE CCN(CC(=O)Nc1c(C#N)c2c(n1C[C@@H]1CCCO1)CCCC2)CC(=O)OC 494998958 NNVRJTPZYWJKRG-HNNXBMFYSA-N 402.495 1.851 30 10 HDEE CC(C)[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](O)CS(=O)(=O)c1cccs1 502102174 YPYRKCNDQCDXPW-YJBOKZPZSA-N 422.528 1.974 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCCCNC(=O)c2ccccc2)c1 504919009 NGHRZXWTZCSZKM-UHFFFAOYSA-N 401.488 1.701 30 10 HDEE Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H]2CNS(C)(=O)=O)c(C#N)c(C)c1C 506702352 ZAWIKRRBHXHGKS-GDBMZVCRSA-N 410.565 1.805 30 10 HDEE C=CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CCc1ccccc1 508885920 VDHQCSIUJNJMNF-QGZVFWFLSA-N 405.524 1.476 30 10 HDEE C=CCNC(=O)CN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2C)CC1 509403776 OVBVTKYEBRKGPC-UHFFFAOYSA-N 405.442 1.622 30 10 HDEE COc1ccc(CN2CCN(C(=O)C3(C#N)CCOCC3)CC2)c(OC)c1OC 518791391 PAMVSNFLWIZCNN-UHFFFAOYSA-N 403.479 1.677 30 10 HDEE Cc1cc(S(N)(=O)=O)sc1C(=O)N(CCN(C)C)Cc1cccc(C#N)c1 521845905 GOYVQOILCMZZFH-UHFFFAOYSA-N 406.533 1.780 30 10 HDEE N#Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)CSc2nnnn2C2CC2)cc1 522195591 MXTUTZGVSIYTAP-AWEZNQCLSA-N 415.504 1.512 30 10 HDEE C=CCNC(=O)[C@H](C)S(=O)(=O)Cc1coc(-c2ccc(S(C)(=O)=O)cc2)n1 535592553 BYAKGZAKVUIFAP-LBPRGKRZSA-N 412.489 1.351 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)C[C@H]3CN(Cc4ccccc4)CCO3)CC2)n1 545490061 WRNJTGKDBJOTRO-NRFANRHFSA-N 405.502 1.893 30 10 HDEE CN1C(=O)C[C@@H](C(=O)N2CCN(C(=O)CC#N)CC2)[C@H]1c1ccc(Cl)c(F)c1 577305784 QUKGHQCRUCCCGM-FZKQIMNGSA-N 406.845 1.583 30 10 HDEE N#Cc1ccc(OC2CN(C(=O)C[C@H]3CSc4nc5c(c(=O)n43)CCC5)C2)nc1 585245285 OFCFYTQSZIAOJH-ZDUSSCGKSA-N 409.471 1.325 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccccc2OCC)C1)[C@H]1CCS(=O)(=O)C1 729332092 UUTBWHGWMWNAQB-HOTGVXAUSA-N 404.488 1.087 30 10 HDEE CNC(=O)CN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1cc(C)ccc1C 730140846 HVSYBUDLECJTMS-MRXNPFEDSA-N 419.551 1.049 30 10 HDEE CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CCOC[C@@H]2CCOC2)C1=O 731560639 WLZBRMICAQXYMB-CJNGLKHVSA-N 409.483 1.946 30 10 HDEE CN1CCCC[C@H]1CN1CCN(CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)CC1 732201582 HANWMGSLJOQXHR-HKUYNNGSSA-N 422.533 1.614 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)CCN1C1CC1 732652263 SYGNELMVRSPTMT-QAPCUYQASA-N 420.510 1.425 30 10 HDEE C[C@]1(c2ccc(F)cc2Cl)NC(=O)N(CN2CCN(C3CC3)[C@H](C#N)C2)C1=O 732665941 BCLZONGCNSOBOY-AUUYWEPGSA-N 405.861 1.876 30 10 HDEE Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)C2)n1 733888604 ATZYCYSLSHRRTI-APFMSCDFSA-N 411.462 1.484 30 10 HDEE COCCOc1ccccc1C=c1sc(=C(C#N)C#N)n(C[C@@H]2CCCO2)c1=O 751553585 FBHKDSCZCJNYEF-KRWDZBQOSA-N 411.483 1.141 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)N2CCN(c3ccc(F)cn3)CC2)C1 758757858 HOLOHIWKOZZSSY-HOCLYGCPSA-N 418.473 1.811 30 10 HDEE C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(c2ccc(S(N)(=O)=O)cc2C#N)CCO1 760506964 NHFAXSBFBCCGQD-MLGOLLRUSA-N 410.496 1.324 30 10 HDEE C#CCOc1cccc(-c2noc(-c3cnc4c(c3CC)c(=O)n(C)c(=O)n4C)n2)c1 761782594 VHBVXNYRUPGICX-UHFFFAOYSA-N 417.425 1.924 30 10 HDEE C#CCN(Cc1cc(Br)c2c(c1)OCCO2)[C@H]1CCS(=O)(=O)C1 768931754 KHPXZWGKHKKJKF-ZDUSSCGKSA-N 400.294 1.843 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCC[C@H](O)C(F)(F)F)c1 768971472 HLAWYJIYVXOVSA-MDUHSQENSA-N 422.429 1.934 30 10 HDEE C#CCN(C(=O)Cc1cc(OC)ccc1Br)[C@@H]1CCS(=O)(=O)C1 769142916 HUYQKXMOTBNPCJ-CYBMUJFWSA-N 400.294 1.649 30 10 HDEE COc1ccccc1NC(=O)COC(=O)CNS(=O)(=O)c1cccc(C#N)c1 769827601 FNUYAMUPQABWOS-UHFFFAOYSA-N 403.416 1.027 30 10 HDEE C#CCN(C(=O)NCc1cccc(NC(=O)C2CCC2)c1)[C@@H]1CCS(=O)(=O)C1 774163000 LMXTVSJNDSTXFJ-GOSISDBHSA-N 403.504 1.757 30 10 HDEE COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NS(=O)(=O)CC(C)(C)C#N 779255276 FUNVNSOQYHMXNZ-HNNXBMFYSA-N 411.480 1.314 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CC(S(=O)(=O)NC2CCCC2)C1 781523952 OJEANBNJLFVYAQ-UHFFFAOYSA-N 402.476 1.937 30 10 HDEE COC(=O)[C@@H](NC[C@@H]1CCn2ncc(C(=O)NC(C)C)c2C1)c1ccc(C#N)cc1 785535570 MNYLOJVTIRZXSQ-UZLBHIALSA-N 409.490 1.959 30 10 HDEE N#C[C@]1(F)CCN(CC(=O)N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C1 786437862 SQQZHWIGNXLJKD-CQTFCRGUSA-N 406.483 1.069 30 10 HDEE COc1ccccc1N(CCC#N)C(=O)[C@@H](C)OC(=O)[C@@H](O)Cc1cnn(C)c1 786859848 HTSSVWZIOIFWQM-PBHICJAKSA-N 400.435 1.211 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)n1 788590525 CHNFUWMBQJRXRW-UHFFFAOYSA-N 404.492 1.741 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OCC)C2)n1 789217089 PFNLDAJMCMEBTN-MSOLQXFVSA-N 419.526 1.931 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)n1 789248839 IKGUXBAZVWNJKW-GOSISDBHSA-N 413.526 1.385 30 10 HDEE COCCCN=c1scc(-c2cnn(C)n2)n1N=Cc1ccc2c(c1)OCCO2 789968912 SYCJRCRFSRTBDH-UHFFFAOYSA-N 414.491 1.936 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)CN1C(=O)C(F)(F)Oc2ccccc21 796898401 RUZRXQPGVXRVNC-UHFFFAOYSA-N 421.381 1.690 30 10 HDEE Cc1c(C(=O)NS(=O)(=O)CC2(C#N)CCCCC2)nnn1Cc1ccncc1 797322980 PHGJQDDCHCKPNQ-UHFFFAOYSA-N 402.480 1.564 30 10 HDEE CCCC[C@@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N1CCC[C@@H](C(=O)O)C1 800722567 UPMMGSHACNXPOV-UKRRQHHQSA-N 407.492 1.607 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 805835904 WFKYWNAXHARGGH-MSOLQXFVSA-N 406.508 1.455 30 10 HDEE Cn1ncc2c(O)nc(NN=CC3(CNC(=O)OC(C)(C)C)CCOCC3)nc21 814223064 LGEBBNNWZNRAMV-UHFFFAOYSA-N 405.459 1.788 30 10 HDEE COc1ccc(S(=O)(=O)N(C)CCCC(=O)[C@H](C#N)C(=O)NC2CCCC2)cc1 917041403 JCMFLUKMPFUMGT-SFHVURJKSA-N 421.519 1.864 30 10 HDEE N#Cc1cccc(OCCCCC(=O)N[C@H]2CCN(c3ccc4nncn4n3)C2)c1 1131030799 NFUBDKNLDYOCDU-KRWDZBQOSA-N 405.462 1.940 30 10 HDEE COC(=O)[C@@H](Cc1ccc(OC(F)(F)F)cc1)NC(=O)[C@H](C)n1cnc(C#N)n1 1133147579 XOLIBXJGLRNFRZ-GXFFZTMASA-N 411.340 1.510 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(F)c(Cl)c3)C2=O)CC1 1136863233 USPDVUQRWCFECQ-HXUWFJFHSA-N 420.872 1.414 30 10 HDEE C#CCN(CC(=O)N[C@H](Cc1ccccc1)CN1CCOCC1)C(=O)OC(C)(C)C 1136887287 PLTSXTGVKONNLL-HXUWFJFHSA-N 415.534 1.916 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCC[C@H](c3nnc(O)o3)C2)s1 1138803825 NDPVIXCDGZVWCH-NSHDSACASA-N 412.493 1.250 30 10 HDEE CN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3C)c2)NC1=O 1141877971 INUJBHBUAVSPFK-SSPLZPMDSA-N 407.496 1.242 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)NCc1cc([N+](=O)[O-])c(F)cc1F 1143377201 SANVYAAQOSGNJE-UHFFFAOYSA-N 410.358 1.228 30 10 HDEE CCN1C[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)CC1=O 1145023303 OMQJEPHYUSTVTO-SDMXJPDVSA-N 404.511 1.758 30 10 HDEE Cn1ccnc1[C@@](O)(CC(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1)C(F)(F)F 1161849900 UNJZBJAKVYJAJB-KDOFPFPSSA-N 422.411 1.930 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)N3C[C@H](C)N(CCO)C[C@@H]3C)ccc2c1=O 1162248500 KCLVMVLRKASJRK-KBPBESRZSA-N 402.520 1.398 30 10 HDEE Cn1c(=O)[nH]c(N[C@@H]2CCOC3(CCN(Cc4ccccc4)CC3)C2)c(C#N)c1=O 1164125406 XLJNCRDZZXARFF-QGZVFWFLSA-N 409.490 1.571 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C1)c1cc[nH]n1 1165325700 DCGUIWSPSPLWGF-OLZOCXBDSA-N 408.455 1.320 30 10 HDEE Cc1ccc(C(=O)N2C[C@H](CC(F)(F)F)O[C@H](C)C2)cc1S(=O)(=O)NCC#N 1167585663 NUPCJOHEYCTYFL-OCCSQVGLSA-N 419.425 1.979 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CC(=O)NOc2cccc(C#N)c2)C1 1171256597 YFOXZORYCSYUHB-HNNXBMFYSA-N 409.464 1.392 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H](O)C(=O)OCc1ccccc1 1175771650 GUPICQUCLRPJQY-IBGZPJMESA-N 421.457 1.371 30 10 HDEE COC(=O)CCCc1nc(Cn2cc(C#N)c(I)n2)no1 1189592159 LKELXWHAABNNMX-UHFFFAOYSA-N 401.164 1.286 30 10 HDEE CN(CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2)[C@H]1C[C@@H](C(N)=O)C1 1196818138 GRAQSJKCZITAEG-OWCLPIDISA-N 413.522 1.552 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 1212172215 YZPWQYQLYZDWOR-GOSISDBHSA-N 417.462 1.825 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)CCC)c(F)c2)C1 1213680763 XVCDZJJICGJYSC-AWEZNQCLSA-N 417.528 1.353 30 10 HDEE Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1)N(C)C 1227975686 PNWBIAFUGXUGAB-YTXYEVPYSA-N 404.536 1.566 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)N[C@H](C)Cc2c(OC)cc(OC)cc2OC)CC1 1228616842 DBSFCMMGDINNEU-OAHLLOKOSA-N 417.506 1.814 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@](C)(O)CCOC)CC1 1286474450 FNJLTLADFGNMDU-JOCHJYFZSA-N 408.506 1.359 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc[nH]3)n2Cc2ccc(OC)nc2)CC1 1286489804 FFHZUSCAQIWQQB-UHFFFAOYSA-N 419.489 1.691 30 10 HDEE C=C(C)COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)[C@@H]1CCSC1 1286607367 GMYZFUARDPLFRZ-LSDHHAIUSA-N 400.570 1.715 30 10 HDEE C=CCN(CC=C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@@H]1CCn2ccnc2C1 1286753663 FQPZVAYSRGKUBN-HZPDHXFCSA-N 419.555 1.526 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CC1 1290342309 FFDMHKWSWJWHIQ-ROUUACIJSA-N 405.495 1.749 30 10 HDEE CCOCc1nnc(N(C)CCN2C[C@H](C)O[C@H](C)C2)n1Cc1ccc(C#N)o1 1297080341 YJTHCFZXOZXGIG-IYBDPMFKSA-N 402.499 1.873 30 10 HDEE CC[S@](=O)CCn1c(CC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1 1297812895 AVAWDEBTEJAFIJ-NDEPHWFRSA-N 402.524 1.780 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H](Cc1ccccc1)c1nccn1C)c1cc[nH]n1 1300235228 RMRZQKNVPKKEDD-KRWDZBQOSA-N 424.461 1.527 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCNS(=O)(=O)CC 1300290514 NJLWVBIAGAMHOH-CYBMUJFWSA-N 405.480 1.071 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(C#N)cc2)n1CCCCN1CCOCC1 1300472727 HEKYCEGLTLYDEQ-UHFFFAOYSA-N 408.506 1.911 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@H](C1CCCCC1)N(C)C)[C@@H]1CCS(=O)(=O)C1 1300499803 XEKDOXSQFMCWNJ-RTBURBONSA-N 421.611 1.978 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(Br)c[nH]2)n1C[C@]1(O)CCN(C)C1 1300604880 PQCRZABJUOXLTD-KRWDZBQOSA-N 407.316 1.562 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ncn(C)n2)CC1 1300708307 QTUKOFMBVQECAQ-UHFFFAOYSA-N 420.521 1.406 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCO[C@]2(CCO[C@H]2C)C1 1300732443 NEVHWUIUEJJBRN-HNAYVOBHSA-N 407.540 1.167 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCC(=O)N2)n1Cc1nncn1C 1301399601 QLTIUDNOIGHJOQ-QGZVFWFLSA-N 406.494 1.641 30 10 HDEE CC(C)c1nnc(N2CC(C)(C)OC[C@@H]2C)n1CCN/C(O)=C1\N=CC=CC1=O 1302606416 HTEUMXVZKACQGX-DCOQFNDQSA-N 402.499 1.932 30 10 HDEE N#C[C@H]1CN(c2nnc(Cc3ccccn3)n2CCCNc2ccccn2)CCO1 1303003928 LGRLDSZPOHIMIM-SFHVURJKSA-N 404.478 1.890 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@H]1CC[C@H](CO)O1 1303635478 GWDBGBVATISFAM-QLFBSQMISA-N 423.477 1.872 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1C[C@H]1OCCC1(C)C 1303824729 ZTJJAROTQFNVJE-UKRRQHHQSA-N 410.544 1.443 30 10 HDEE Cc1nnc(N2CCN(C3CCCCC3)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1304855393 DALDQEJWNBMSHD-VXPUYCOJSA-N 413.526 1.568 30 10 HDEE N#Cc1ccnc(N2CCN(C[C@@H](O)COc3ccc4c(c3)CCC(=O)N4)CC2)c1 1307413583 AKKICRIEMVKTNR-GOSISDBHSA-N 407.474 1.400 30 10 HDEE CCOC(=O)c1cc2n(n1)C[C@H](C)N(CCS(=O)(=O)c1cccc(C#N)c1)C2 1308087790 FRYYLLSZCNXAEK-AWEZNQCLSA-N 402.476 1.609 30 10 HDEE COc1cccc(C(=O)N2CCN(C(=O)NCC3(C#N)CCOCC3)CC2)c1OC 1313405920 ASBCNMXFGZNAJH-UHFFFAOYSA-N 416.478 1.492 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)NC(CC)CC)n1CC1CCS(=O)(=O)CC1 1358870050 DPMVSUAQMWLFRW-AWEZNQCLSA-N 409.556 1.479 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc3c(c2)OCCO3)n1CCS(=O)(=O)N(C)C 1358882182 VARGELQGFVGSAF-AWEZNQCLSA-N 419.507 1.066 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)on2)n1CC(=O)N1CCOCC1 1358885166 FBNBHZTVHQXHHK-INIZCTEOSA-N 420.473 1.917 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1358960862 NBEYWYYYYDYHGN-KRWDZBQOSA-N 410.503 1.538 30 10 HDEE C#CCN(c1nnc(Cc2ccncc2)n1C[C@@H](CC)OC)[C@@H]1CCS(=O)(=O)C1 1358965249 QTYXWSNBHZAGEF-QZTJIDSGSA-N 417.535 1.316 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCC[C@@]2(CCOC2)O1 1358992324 INJWURPWGOGTNX-FGSXEWAUSA-N 411.506 1.420 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2cn3ccccc3n2)n1CC(=O)NCCC 1358995653 ACRMJRSZWGDCHE-UHFFFAOYSA-N 403.490 1.506 30 10 HDEE C#CCN(CCOC)c1nnc(CN2CCCC2=O)n1CCN1CCCCCC1 1359026862 MUNHSGFDLUJUEB-UHFFFAOYSA-N 402.543 1.363 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCNC(=O)c2cccs2)CC1 1359039340 FEHSWFVBJCUMFL-UHFFFAOYSA-N 402.524 1.061 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H](C)OCCOC)n1CCC1(O)CCOCC1 1359065656 XDLRRLQPJHXSOW-YLJYHZDGSA-N 406.527 1.926 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2cccnc2)n1CCS(=O)(=O)NC(C)C 1359068922 UHTJATLWQYYSMP-LJQANCHMSA-N 402.524 1.660 30 10 HDEE C=C(C)[C@H]1OCC[C@H]1Cn1c(C(=O)NC(CC)CC)nnc1N1CCNC(=O)CC1 1359089483 JYSOTBWTCZDLHB-MAUKXSAKSA-N 418.542 1.504 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(CC1CCC1)CC1CC1 1359300837 KXBLOCADNZXVPM-QGZVFWFLSA-N 421.567 1.499 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(S(C)(=O)=O)CCCC2)C1 1359322571 YMPQQIDZCAKAIJ-IAGOWNOFSA-N 424.567 1.921 30 10 HDEE COC(=O)[C@@H]1C[C@@H](OC)CCN1C(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1435679983 HORDQYNUTTZKAS-QRTARXTBSA-N 419.865 1.744 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCNc1cc(C)nc2ncnn12 1445087681 GJJXVJSQVGYZHA-CYBMUJFWSA-N 423.905 1.997 30 10 HDEE CCOC(=O)[C@H](NC(=O)CCc1c(C)nn(CCC#N)c1C)[C@@H](O)c1cccnc1 1454673976 SJWXJYAMTOVTKK-UXHICEINSA-N 413.478 1.523 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)[C@@H](C)Oc2cc(Cl)cc(Cl)c2)CC1 1455115115 MDGGIDVXPXLJEH-GFCCVEGCSA-N 420.318 1.373 30 10 HDEE CNS(=O)(=O)C[C@@H]1CCCN([C@@H](C)C(=O)N(CCC#N)c2ccccc2OC)C1 1460568851 LZKBRJWXOBOZHI-DLBZAZTESA-N 422.551 1.592 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC)c1 1463523595 OVNHXFRJNXZSGJ-GOSISDBHSA-N 401.488 1.238 30 10 HDEE CN(C)CCn1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)n1 1464263598 WKBONGXUORIFDM-RELWKKBWSA-N 418.523 1.510 30 10 HDEE CC(C)[C@H]1C(=O)NCCN1C(=O)C1CN(c2ccc(Br)cc2C#N)C1 1464818774 ZIJWFXOHLRPZON-INIZCTEOSA-N 405.296 1.740 30 10 HDEE Cn1cccc1[C@H]1COCCN1C(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1466771061 UXRCWUSKCIJLCB-PKOBYXMFSA-N 421.457 1.702 30 10 HDEE C=CCN(C(=O)c1nc2ncc(CCO)cn2n1)[C@@H](Cc1ccccc1)C(=O)OCC 1466892846 AYNCMHGFZIEGPH-SFHVURJKSA-N 423.473 1.462 30 10 HDEE C#CC1(O)CN(C(=O)NCc2cccnc2Oc2cccc(S(C)(=O)=O)c2)C1 1468962282 GHJZDQDJCQXDKW-UHFFFAOYSA-N 401.444 1.167 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCOc3ccccc3[C@H]2CO)cc1 1472038298 KXOKGNRAXOMTSW-GOSISDBHSA-N 400.456 1.166 30 10 HDEE CC(C)(C)c1cc(NC(=O)N2CCC(O)(C(N)=O)CC2)n(-c2ccc(C#N)cc2)n1 1476581130 ARPMLGPMJYROBP-UHFFFAOYSA-N 410.478 1.886 30 10 HDEE CC#CC[C@H](CO)NC(=O)NCCCCCN1CCN(C(=O)OC(C)(C)C)CC1 1479248340 VKTWDZJEPMLGIM-GOSISDBHSA-N 410.559 1.783 30 10 HDEE CC[C@@H](C)c1nnc(N(CCC#N)CC2CC2)n1CC1(O)CCS(=O)(=O)CC1 1495246504 HSKTUMULZGYYBP-OAHLLOKOSA-N 409.556 1.861 30 10 HDEE CCc1nc(CCn2c(-c3cccc(C#N)c3)nnc2N2CC[C@@](C)(C(N)=O)C2)no1 1498328606 BSUSNZBBKWPMDX-OAQYLSRUSA-N 420.477 1.707 30 10 HDEE CCCn1c(-c2cccc(C#N)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 1500891312 MSFOPKPSJYTRMQ-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE CCOCc1nnc(N2CCC(C)=C(C)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503051897 VUKDCTXWYCISQG-HNENSFHCSA-N 400.483 1.888 30 10 HDEE C#CCN(c1nnc(CC(C)C)n1C[C@@H]1CCN(CCC)C1)[C@@H]1CCS(=O)(=O)C1 1507632913 BNYMYPPCMPAFME-RTBURBONSA-N 421.611 1.835 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1CC1(C)COC1)[C@@H]1CCS(=O)(=O)C1 1507635217 QIGYSRHCFZXXAA-MRXNPFEDSA-N 420.560 1.594 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N1CCC[C@H](C(=O)OC)C1 1507836062 VTMCZGQIEYLTOE-INIZCTEOSA-N 405.499 1.496 30 10 HDEE C=CC1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)CC2CC2)CC1 1507907267 WHWBXXDFGRHQHN-UHFFFAOYSA-N 404.540 1.906 30 10 HDEE COCCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1C[C@@]1(O)CCO[C@H]1C 1519166982 LUHDFYADLZYVJE-LIRRHRJNSA-N 420.901 1.900 30 10 HDEE CO[C@@]1(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)CCSC1 1535585926 MNBVVYGACCFLKY-HNAYVOBHSA-N 402.476 1.402 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCc1csc(CC)n1 1539014226 LLMLYFQEHBRLPN-KBPBESRZSA-N 407.565 1.900 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCn2cc(C)nc21 1539014549 MCQZLHXTLFISMD-GVDBMIGSSA-N 416.551 1.721 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](CN2CCOCC2)C1 1539079558 VRQVBNPANQXGCP-IBGZPJMESA-N 414.554 1.363 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc[nH]2)n1CCS(=O)(=O)Cc1ccccc1 1539256734 HUKGXQNIPIYZNX-UHFFFAOYSA-N 407.499 1.961 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C#N)cc2)n1CCc1noc(CC)n1 1539290273 RABQAEDHHPPDBS-UHFFFAOYSA-N 415.457 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN(C)C)c1 1539291657 VCYYWFYZALNLSL-UHFFFAOYSA-N 406.534 1.989 30 10 HDEE C#CCSCCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](n2cncn2)C1 1539512346 BRYNPXQHOKCCPS-LSDHHAIUSA-N 400.512 1.029 30 10 HDEE C=C(Br)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)CC1 1539574136 IBRNISJNOONUBX-UHFFFAOYSA-N 415.292 1.213 30 10 HDEE CN1CCN(CCNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1539576613 YFOFVDPCEYVNTQ-BATSVXPKSA-N 405.543 1.137 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CCN4CC(F)(F)C[C@H]4C3)C2=O)cc1 1539957653 GJQCHVHMERUSCK-JKSUJKDBSA-N 417.416 1.315 30 10 HDEE C=CCOc1ccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@@H](C#N)C2)cc1 1540877689 CABWQTIOYCKKPV-ROUUACIJSA-N 408.462 1.571 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H](C)COC)C1 1540883326 XXYOQAXWQMPFCN-CVEARBPZSA-N 400.483 1.989 30 10 HDEE Cc1ccc(OCCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCO[C@H](C#N)C2)cc1 1542491378 POUNOWAYVFGJAS-MSOLQXFVSA-N 410.478 1.736 30 10 HDEE CC(C)COC[C@@H](O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1545570591 PAMKRADKURFJJG-NHUHVJRWSA-N 409.527 1.923 30 10 HDEE N#Cc1cc(NC(=O)[C@H]2CNC(=O)C[C@H]2C(F)(F)F)ccc1N1CCC(O)CC1 1545718526 KEZBZYMPTCSUMP-LSDHHAIUSA-N 410.396 1.772 30 10 HDEE C#C[C@@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)OCC1c2ccccc2-c2ccccc21 1556309796 DYUOAAYNJVOHCZ-VLIAUNLRSA-N 405.454 1.907 30 10 HDEE CCn1ccnc1CNC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1556793389 FASVOFXYNZLQSO-UHFFFAOYSA-N 401.492 1.492 30 10 HDEE COc1ccc(C(=O)N2CC(Nc3cccc(C#N)c3)C2)cc1S(=O)(=O)N(C)C 1557719387 YFGNCGWUDIMHER-UHFFFAOYSA-N 414.487 1.754 30 10 HDEE Cc1c[nH]c(CNC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)c(C)c1=O 1558583974 QHBVMERVFIRUDU-INIZCTEOSA-N 407.430 1.385 30 10 HDEE Cn1c(=O)[nH]c(N2CCOc3cc(NC(=O)OC(C)(C)C)ccc3C2)c(C#N)c1=O 1559264641 OEEJOLRXDYHYSG-UHFFFAOYSA-N 413.434 1.691 30 10 HDEE CC(C)(C)OC(=O)c1ccccc1OCCN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560168393 KDFSTTDAKBNZRA-YWZLYKJASA-N 406.504 1.891 30 10 HDEE CC(=O)Nc1ccc(CN2CCC(NS(=O)(=O)c3cccnc3C#N)CC2)cc1 1561581869 DQOHNKBMODXXJQ-UHFFFAOYSA-N 413.503 1.855 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2ccc(I)cc2)C1 1561913559 YPXPLNLCBAFWBV-ZDUSSCGKSA-N 404.273 1.667 30 10 HDEE COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 1565226941 HJRYXJDXLCORRH-RHSMWYFYSA-N 406.870 1.621 30 10 HDEE C#CCN(C(=O)NCc1cc(NC(=O)OC(C)(C)C)ccn1)[C@@H]1CCS(=O)(=O)C1 1565369378 NMEYWZCSQIBUJC-MRXNPFEDSA-N 422.507 1.761 30 10 HDEE C#Cc1ccc(C(=O)N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 1565622393 LMUSJZYQRXICEB-UHFFFAOYSA-N 411.527 1.713 30 10 HDEE COc1nsc(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)c1Br 1565630035 PUPDVIWTXVADDP-LUAWRHEFSA-N 401.242 1.170 30 10 HDEE C#C[C@@H]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1570817095 QBHMIIXKMBOIHC-MRXNPFEDSA-N 406.504 1.778 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1F)[C@@H](C)O 1583563042 NQTIOTUYSLTMRE-VEVIJQCQSA-N 405.451 1.602 30 10 HDEE C=CC[C@H]1CCCC[C@H]1NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl 1584398257 NQJJSXUVJCMGPZ-BLLLJJGKSA-N 413.927 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CCN(C)CC(F)(F)F 1587556655 QUXPTBAIRFJELE-CYBMUJFWSA-N 409.416 1.877 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1Cc1c(CC)nn(C)c1OC 1587569029 UPFLMYGVSKEYEB-VFNWGFHPSA-N 416.526 1.741 30 10 HDEE C#CCCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCC2)CC1 1587759528 WGOTWIUYHCXRSG-QGZVFWFLSA-N 413.526 1.371 30 10 HDEE C#C[C@H](NC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCOCC1 1587814588 FTMNLZFWHAWMOB-FQEVSTJZSA-N 420.531 1.641 30 10 HDEE C#CCN(C)c1nnc(-c2cc(OC)c(OC)c(OC)c2)n1CC[C@@H]1COCCO1 1587927229 ZBGIRYIPJPCEFJ-MRXNPFEDSA-N 416.478 1.846 30 10 HDEE C#CCN(c1nnc(C)n1CC[C@@](C)(O)c1ccccc1)[C@H]1CCS(=O)(=O)C1 1588035908 ZKIOVMGQVHRJER-AZUAARDMSA-N 402.520 1.511 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2ccncc2Oc2ccccc2)CC1 1588199264 LNYWQJVXMZOFCM-UHFFFAOYSA-N 400.460 1.099 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[C@@H]2OCCC[C@H]2C1 1595785360 YBUMCUXGPSMQRP-ROUUACIJSA-N 417.535 1.946 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2ccncc2)nnc1N1CCC[C@@](C)(C#N)C1 1595812401 RYRRGXHGFQUDSB-FQEVSTJZSA-N 414.535 1.995 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@@H](C#N)C2)n1C[C@@H](c1cccs1)N(C)C 1609506686 FXCRYDVMEDFPGX-GJZGRUSLSA-N 417.539 1.509 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc([C@H]3CCCO3)n2CCCn2cc(CO)nn2)C1 1611770624 BCQUCIGLNQSICY-VQIMIIECSA-N 400.487 1.434 30 10 HDEE CN1CCC(C#N)(NC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1615088805 VAVISKTWKLOIGV-NGEICVOHSA-N 401.511 1.877 30 10 HDEE CN(CCn1c([C@H]2CCCOC2)nnc1N1CCO[C@H](C#N)C1)CC(F)(F)F 1618279323 ZLHSHKDWWBIJEH-UONOGXRCSA-N 402.421 1.395 30 10 HDEE N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C2CC3(C2)CS(=O)(=O)C3)CC1 1618706113 ODKVNPAIMYIIDO-KRWDZBQOSA-N 407.923 1.874 30 10 HDEE C=CCOc1c(Br)cc(CN[C@H]2CS(=O)(=O)C[C@H]2OC)cc1OC 1620999688 BNILTLBLPNJMBA-DZGCQCFKSA-N 420.325 1.924 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCC(C(=O)NCCOC)CC3)n[nH]2)c1C 1624869157 YMHMBBVRNAFZBA-UHFFFAOYSA-N 414.510 1.691 30 10 HDEE C=CCOc1ccc(/C=C/C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@H]32)cc1OC 1626139823 BGWGXOJGCZUKCR-FOMSVSHPSA-N 407.488 1.688 30 10 HDEE NC(=O)CN(CC(N)=O)C(=O)c1ccc(C(F)(C(F)(F)F)C(F)(F)F)cc1 1628064589 UYSSISMJTMZCNP-UHFFFAOYSA-N 403.254 1.389 30 10 HDEE CC(C)[C@H](CO)[C@H](NC(=O)CCC/N=C1/NS(=O)(=O)c2ccccc21)C(C)C 1628156474 LYFNPQSCAFSZTR-QFBILLFUSA-N 409.552 1.911 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)nc1 1629102412 ARJMNOJYTXZMQN-QGZVFWFLSA-N 402.495 1.841 30 10 HDEE C=CCOc1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2c2cnn(C)c2)cc1OC 1634510689 QESXQANLJMHZQA-QGZVFWFLSA-N 419.503 1.996 30 10 HDEE CO[C@@H]1C[C@@H](N(C)C(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)C12CCC2 1635605284 OPBHEKUKFRYWEP-IAGOWNOFSA-N 405.520 1.921 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc3cc(C(C)(C)C)ccc3[nH]2)CC1 1636479746 FSDQHGGVOLTQPO-UHFFFAOYSA-N 402.520 1.691 30 10 HDEE COC(=O)C1CC2(C1)C[C@H](NC(=O)NCc1cc(C#N)ccc1F)CCS2(=O)=O 1638438477 YWQRQKNDAKCJOZ-XAUUPUKJSA-N 423.466 1.396 30 10 HDEE CC(C)(CO)[C@@H](NC(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1cccnc1 1639145594 FHHZSHDVRXEOLL-SFHVURJKSA-N 402.476 1.108 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O 1639963331 VZLCZUWMBXQRSG-AVRDEDQJSA-N 406.442 1.517 30 10 HDEE C#CCn1cc(CNC(=O)[C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)cn1 1640012564 AKQZBFQIKLVPHD-INIZCTEOSA-N 400.866 1.713 30 10 HDEE COC(=O)[C@]1(OC)CCN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1 1640762972 CBDMLQHBOGUQAN-SFHVURJKSA-N 422.279 1.547 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(nnn2CCOC)C1 1641359960 ZGOCPUWDKJHZOA-CYBMUJFWSA-N 413.906 1.845 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCC(C(=O)N2CCC(CO)(CO)C2)CC1 1641417002 PUFCMSMPRRVSQC-UHFFFAOYSA-N 400.435 1.226 30 10 HDEE C[C@H](CC(=O)N1CC(=O)Nc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 1643724913 LKDGEZRBPLZDFY-CYBMUJFWSA-N 412.471 1.485 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@H]32)c(=O)nc1O 1646146924 CHGWRPNSWRYICH-RBSFLKMASA-N 415.247 1.285 30 10 HDEE CCc1nc([C@@H]2C[C@@H](O)CN2CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)n[nH]1 1648631608 OLNPRHHZYIPWHH-CVEARBPZSA-N 421.423 1.662 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C(=O)OC(C)(C)C 1649128115 GCJYAGPLRXXUAW-HUUCEWRRSA-N 411.499 1.343 30 10 HDEE C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CC#CCN1C(=O)c2ccccc2C1=O 1653643217 ORCIYAHMPFQQQS-OAHLLOKOSA-N 411.483 1.626 30 10 HDEE C#CC[C@@H](COC)NC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1657564367 MSZCSNVDZYHGDO-AWEZNQCLSA-N 415.899 1.521 30 10 HDEE C#CCNC(=O)CN1CCCN(S(=O)(=O)c2cc(C(C)(C)C)ccc2OC)CC1 1667520938 GLHHTDCZBOPFFN-UHFFFAOYSA-N 421.563 1.439 30 10 HDEE CC#CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1Br 1670156829 KEOLCGWUXJVXSB-VIFPVBQESA-N 408.245 1.427 30 10 HDEE CC(C)CS(=O)(=O)N1CCC(NC(=O)N2CCC3(CC2)CC(=O)C=CO3)CC1 1671010082 PDRZWEMUIHIBLA-UHFFFAOYSA-N 413.540 1.484 30 10 HDEE C#CCNC(=O)C1CCN(C(=O)Nc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)CC1 1671279037 FJKYGUBLCJJAMR-OAQYLSRUSA-N 411.462 1.077 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4(=O)=O)C2=O)cc1 1671576689 NRPTXCVPGOUKNH-SQNIBIBYSA-N 416.503 1.415 30 10 HDEE C=CC[C@H](NC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)OC)C2)C1)c1ccncc1 1679026505 KBZGRCJTJDDQLC-RXCRORICSA-N 421.519 1.897 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2C(=O)NCC(=O)NCC#N)C1 1680958415 XANIDUDOMBVFMR-HZPDHXFCSA-N 407.515 1.837 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC[C@@H](Nc4ncccn4)C3)C2=O)cc1 1682021504 HKRNTFGYYRGNRS-QZTJIDSGSA-N 405.462 1.345 30 10 HDEE Cc1nsc(N2CCN(C(=O)NC[C@@H]3CCN3C3CCOCC3)CC2)c1C#N 1685482883 FKESRNOQRGAOCM-INIZCTEOSA-N 404.540 1.408 30 10 HDEE N#CC1(CNC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)CCOCC1 1685657134 MGZPLYRJKMRBJT-UHFFFAOYSA-N 407.452 1.444 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H]2C[C@@H](c3ccccc3)C[C@@H](C)C2)CC1 1686773801 QRFWQGJFTIFWQS-YZGWKJHDSA-N 418.563 1.754 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCOc1ccc(Cl)cn1 1689860968 MAGWYUKLYJKZOZ-AWEZNQCLSA-N 402.886 1.986 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc3c(c2)OCCO3)n1C[C@@H](C)N1CCOCC1 1690009641 DXRBQHLZSIETDD-GOSISDBHSA-N 421.501 1.510 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](F)COC)CC1 1690113341 HFRQAHHGPQYGRS-FXAWDEMLSA-N 409.506 1.058 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C[C@@H]2CCCO2)CC1 1690154439 OERSUNQVNRODDE-KRWDZBQOSA-N 420.583 1.084 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCn2ccnn2)CC1 1690412010 ZYUHBZYKHAHGNU-MRXNPFEDSA-N 405.528 1.264 30 10 HDEE C=CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1690485553 WOPQOJAHGMYQSO-JKSUJKDBSA-N 404.540 1.874 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1NC(=O)CC1(C)C 1690993905 SAGDTHPLPKPXOR-ZIAGYGMSSA-N 410.482 1.436 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(OC)cc2)n1CCN1CCCS1(=O)=O 1705485337 IAZWZOXRTFYBCH-HNNXBMFYSA-N 403.508 1.447 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccnc1OCC(F)F 1705493473 JNDOFSGHRLCBNM-TZMCWYRMSA-N 404.421 1.774 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1cc(F)ccc1F 1705573322 DUYZJVRWSALPDE-CYBMUJFWSA-N 407.446 1.288 30 10 HDEE C#CCN1CCN(c2nnc(COCC)n2CCCN2C[C@@H](C)C[C@@H](C)C2)CC1 1705642819 INMFZQXZDRNWJT-BGYRXZFFSA-N 402.587 1.938 30 10 HDEE C=C(Cl)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](N2CCCS2(=O)=O)C1 1705752021 GAKQSZXJSWHUIA-AWEZNQCLSA-N 423.930 1.492 30 10 HDEE C=CCCCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)N1CCOCC1 1705798831 CEFHSJZMSNKNRJ-UHFFFAOYSA-N 404.515 1.165 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN([C@@H](C)C(F)(F)F)CC1 1705908813 VXQBGAYBWJPQOE-ZDUSSCGKSA-N 404.437 1.190 30 10 HDEE C=CCSCCn1c([C@H]2CCCCO2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 1705946047 XVAOEFUBUDWFKD-JKSUJKDBSA-N 406.556 1.995 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(CCc2ccccc2)n1Cc1cn(C2COC2)nn1 1706076772 BYFNUMVFZZFSET-MRXNPFEDSA-N 406.494 1.870 30 10 HDEE CO[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2CC(=O)NC(C)C)C1 1712058769 HXQYSMDRQOQEPD-GOSISDBHSA-N 412.494 1.869 30 10 HDEE CS(=O)(=O)N1CCCN(c2nnc(-c3cccc(C#N)c3)n2[C@@H]2C[C@H]2CF)CC1 1712702770 DPXUFMLURXZBBS-DLBZAZTESA-N 418.498 1.819 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COCC)n1CCCN1CCN(c2ccncc2)CC1 1722301105 ACYSAAZWYKCQLD-LJQANCHMSA-N 411.554 1.880 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCOC(C)C 1722345247 DEFCIFGKLNPPQN-UHFFFAOYSA-N 405.524 1.690 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1722537165 LQWORNUFUNOTOH-JKSUJKDBSA-N 404.471 1.644 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@H](C)CC)CC1 1722581721 LCHUPHZOWPMVTL-NVXWUHKLSA-N 423.583 1.887 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCN(C)C2CCCC2)C1 1722714129 LABONIXYQZWLRJ-ROUUACIJSA-N 402.543 1.885 30 10 HDEE C=CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCO[C@@H](C)C1 1722732577 MZFAYZSFQYMJGX-KBPBESRZSA-N 403.574 1.423 30 10 HDEE CC(C)(C)[C@@H]1OCC[C@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCn1cncn1 1723025331 BMXFXCGRGOZHKC-SPYBWZPUSA-N 402.478 1.930 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1(N(C)C)CCOCC1 1723768618 DTUDPCGFPKQSQS-MRXNPFEDSA-N 403.531 1.363 30 10 HDEE C[C@H]1COCCN1c1nnc(CC(C)(C)C)n1CCN/C(O)=C1\N=CC=CC1=O 1726749351 SQPLSWUKCCCDTM-YWMAMYRUSA-N 402.499 1.618 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CC=CCO1 1729641300 UOWHXWPFXPYPGR-QFBILLFUSA-N 424.505 1.892 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@]1(OC)CCOC1 1740558096 QXVRUKWOXIHMGF-IFXJQAMLSA-N 403.508 1.533 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)C)n2CC2(COC)CCOCC2)CC1 1740702824 YIRKFJYOEGVKDD-UHFFFAOYSA-N 417.554 1.811 30 10 HDEE C=CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCCC2=O)CC1 1740942820 LBJQLUHKKDDOMM-CQSZACIVSA-N 410.544 1.056 30 10 HDEE C=CCn1c(N2CCN([C@H](C)c3nc(C)no3)CC2)nnc1[C@@]1(OCC)CCOC1 1740949585 LUPABXGZQKMYDE-FOIQADDNSA-N 417.514 1.691 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CCN(C)C(=O)[C@H]1C 1740955289 OVGYDNIUQYWVJT-OAHLLOKOSA-N 419.489 1.462 30 10 HDEE C[C@@H](CS(C)(=O)=O)N(C)c1nnc(-c2ccc(C#N)cc2)n1CCCCCO 1741884894 CFUIDURWOQQBEC-HNNXBMFYSA-N 405.524 1.849 30 10 HDEE CCc1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1Cc1conc1COC 1744692268 KGALWQQBBOTOHQ-UHFFFAOYSA-N 408.466 1.616 30 10 HDEE CCCCOCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCO[C@H](C#N)C1 1745537515 PJUIBFVRTWQPHU-MRXNPFEDSA-N 413.482 1.861 30 10 HDEE CCCNC(=O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H]2C[C@H]1CO2 1745801773 PMLQCFBVLKJSCB-WMZOPIPTSA-N 410.478 1.623 30 10 HDEE CCN(C[C@@H]1CCCO1)c1nnc(C2CC2)n1CCN/C(O)=C1\N=CC=CC1=O 1746283400 KZSVWJMJGNGRHZ-UHHPSXQGSA-N 400.483 1.687 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCCO3)nnc2N2CC[C@](F)(C#N)C2)CC1 1746441387 OUQPIJIBUPFCIN-QKLQHJQFSA-N 405.522 1.598 30 10 HDEE CCOC[C@H]1CCN(c2nnc(C3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1747281786 UQVSOVUUJGMCOK-STGLLQLASA-N 400.483 1.545 30 10 HDEE C#CCN(C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2)C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC2)CC1 1748035194 CMPCWTDNHFLRLZ-XKRYSZRTSA-N 400.519 1.822 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)C1(OC)CCOCC1 1748666904 KBGZLKTXCFZRSX-UONOGXRCSA-N 411.453 1.518 30 10 HDEE C#CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1Cc1ccc(OC)nc1 1748776728 NSOAKTXGNYYSFN-UHFFFAOYSA-N 411.487 1.870 30 10 HDEE C#CCN(c1nnc([C@H](C)OCCOC)n1[C@@H]1C[C@H]1C(C)C)[C@H]1CCS(=O)(=O)C1 1748805492 SMXBWNVZNFLGGT-XLAORIBOSA-N 424.567 1.846 30 10 HDEE C#CCN(c1nnc(CC2CCCC2)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 1748821004 LEYHBBXVWPMFLN-IBGZPJMESA-N 421.611 1.978 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1 1748979541 DLIMPHDJMDUCBC-LJQANCHMSA-N 417.517 1.487 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CCCN(CC)S(C)(=O)=O)CC1 1748989258 JKFDJRSVOGTPAN-UHFFFAOYSA-N 424.615 1.294 30 10 HDEE COCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](c2cccc(C#N)c2)C1 1749728652 AMSILTXBEOWOLI-IBGZPJMESA-N 424.505 1.887 30 10 HDEE CC(=O)NCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC[C@@H]1c1nncn1C 1750030429 LXENLFJALORIES-GOSISDBHSA-N 419.493 1.813 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCN2CCCC2)CCOC1 1751026332 NPHSVPUDJZPLQU-PXNSSMCTSA-N 404.515 1.143 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(C#N)CC2)n1CC[C@H]1CCCCO1 1751207475 BTEMRGPSLXEEFO-GDBMZVCRSA-N 410.544 1.587 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N2CCOC2=O)cc1 1760205961 OAXVTRRUFWSFGG-SFHVURJKSA-N 405.458 1.860 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 1760565672 CDYGUDVPQMRIDA-ZWKOTPCHSA-N 407.584 1.860 30 10 HDEE C=CCSCCn1c(COCC)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1760568918 XFFIAWCMCSSBFM-AWEZNQCLSA-N 403.574 1.204 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CCO[C@H](C#N)C3)n2C[C@@]2(C)CCCO2)CCOC1 1761292210 WFELBRFDCKPVJS-NSISKUIASA-N 405.499 1.617 30 10 HDEE CCC(CC)NC(=O)c1nnc(N(C)C[C@@H](C)C#N)n1C[C@@]1(C)CN(C2CC2)C1=O 1764078363 QRXCKRRACFYZBO-LHSJRXKWSA-N 415.542 1.803 30 10 HDEE CCO[C@]1(c2nnc(N(CCC#N)CC3CC3)n2C[C@@]2(C)COCCO2)CCOC1 1765846800 AVDHFHFCWPBLQY-LEWJYISDSA-N 419.526 1.866 30 10 HDEE COCCCN(C)CCn1c(Cc2cccnc2)nnc1N1CC[C@@](F)(C#N)C1 1771041918 WWBOFCFNJGEMCJ-HXUWFJFHSA-N 401.490 1.674 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1Cc1ccc(N(C)C)nc1 1771187940 KANFFPYHDGGYPH-MGPUTAFESA-N 417.489 1.953 30 10 HDEE CC(=O)Nc1ccc(N2C[C@@H](C(=O)ON3C(=O)c4ccccc4C3=O)CC2=O)cc1 1772789677 CYHDUXIFQBQGIF-ZDUSSCGKSA-N 407.382 1.752 30 10 HDEE CC(=O)N1CCC(C(=O)O[C@H](COc2ccc(C#N)cc2)CN2CCOCC2)CC1 1851602809 YTYKICFXHMTBQI-NRFANRHFSA-N 415.490 1.440 30 10 HDEE C=CCN(C(=O)c1cc(Br)cnc1N1CCOCC1)[C@H]1CCN(C)C1=O 1852091037 BHWSSXHGFYQEFW-HNNXBMFYSA-N 423.311 1.540 30 10 HDEE Cc1nc(C(=O)OCCN2CCN(c3ccc(C#N)cn3)CC2)nn1-c1ccccc1 1852687103 IANZJEJIPJIQTG-UHFFFAOYSA-N 417.473 1.821 30 10 HDEE C=CCC1(S(=O)(=O)NC(=NOCC(=O)N2CCOCC2)c2ccccc2C)CC1 1853535311 JSNURHFSVSDGAX-UHFFFAOYSA-N 421.519 1.560 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(CCN(CC)CC)C3(CCCC3)C2=O)CC1=O 1853947620 WXMKINARTWKBKC-GOSISDBHSA-N 404.555 1.346 30 10 HDEE N#Cc1cccc(C(=O)N2CCC[C@@H](N3CCN(Cc4ccncc4)CC3)C2=O)c1 1853966411 FTZOQWZYHOJILE-OAQYLSRUSA-N 403.486 1.902 30 10 HDEE C=CCN([C@H]1CCCCN(C(=O)Cc2cccc(OC)c2)C1=O)[C@@H]1CCN(C)C1=O 1854101980 ZZCQFUBNUORBJK-VQTJNVASSA-N 413.518 1.864 30 10 HDEE N#CCS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2Cl)C(=O)C12CCCC2 1854401157 JSAMKTZUWJAYNL-UHFFFAOYSA-N 413.858 1.930 30 10 HDEE CCn1nccc1C(=O)N1CCCC[C@@H](N2CC(Oc3cccnc3C#N)C2)C1=O 1854957425 JOOVTSKDQGTGJR-QGZVFWFLSA-N 408.462 1.454 30 10 HDEE CCOc1ccc(O[C@@H](C)C(=O)N2CCN([C@H]3CCN(CCC#N)C3)CC2=O)cc1 1855120661 DOIMGOKGUJUEPD-ROUUACIJSA-N 414.506 1.511 30 10 HDEE C=CCN1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2F)C(=O)C1(C)C 1856371905 DNQCIIKQKWTOAK-MRXNPFEDSA-N 423.510 1.614 30 10 HDEE N#Cc1ccc(CCC(=O)N2CC[C@@H](N3CCC(Cn4cncn4)CC3)C2=O)cc1 1856523838 HOPHESBQEGPQCD-HXUWFJFHSA-N 406.490 1.622 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2ncoc2C2CCC2)C1=O 1856756566 ODOOLLUEETVIML-HOTGVXAUSA-N 400.479 1.792 30 10 HDEE Cc1nnc(N2CCN(CC(=O)[C@@H](C#N)c3nc4ccccc4s3)CC2)nc1O 1859428151 MTDIFLIUPZJWHL-CYBMUJFWSA-N 409.475 1.494 30 10 HDEE N#Cc1cccc(C(=O)Nc2nc(N3CCCC3)nn2[C@H]2CCS(=O)(=O)C2)c1 1869971933 WKBHWNRBPFRWSL-HNNXBMFYSA-N 400.464 1.362 30 10 HDEE C=CCN1C[C@H](C(=O)N2Cc3cc(OC)c(OC)cc3C[C@H]2C(=O)OC)CC1=O 1873025676 AFAWUNBHZLKCJS-CVEARBPZSA-N 402.447 1.165 30 10 HDEE CCCNC(=O)CSc1nnc(CNC(C)=O)n1/N=C/c1cc(Cl)ccc1O 1874432759 WCGBEPXWCZNRTD-ODCIPOBUSA-N 424.914 1.774 30 10 HDEE C=C(CNC(=O)C1(NC(=O)OC(C)(C)C)CC(CO)C1)B1OC(C)(C)C(C)(C)O1 1991970029 UYQRXPSLSKKAAM-UHFFFAOYSA-N 410.320 1.956 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCO)C(=O)Nc1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2025894692 CFMWIYASPDAEAY-AWEZNQCLSA-N 421.303 1.595 30 10 HDEE C#CCn1ncc(N[C@@H]2[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]32)c(Br)c1=O 2061587958 PMIXVBLLGOBVCA-GNXNZQSNSA-N 409.284 1.916 30 10 HDEE CC(C)(C)OC(=O)N1CCN(NS(=O)(=O)c2cc(C#N)ccc2Cl)CC1 2118167033 HYHQHSDTWBXZJB-UHFFFAOYSA-N 400.888 1.958 30 10 HDEE COCC1(C(=O)N[C@@H](C(=O)O)C(C)(C)S)CCN(C(=O)OC(C)(C)C)CC1 2195306542 CWYZWNBANNFHDK-LBPRGKRZSA-N 404.529 1.928 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)N2CCCN2C(=O)OC(C)(C)C)n1 2243423108 SFIRFVAXCAZFOQ-UHFFFAOYSA-N 407.280 1.112 30 10 HDEE CC(C)(C)OC(=O)N1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)[C@@H](CO)C1 2247279904 VYMOLSHINYDPOQ-MRXNPFEDSA-N 419.331 1.799 30 10 HDEE Cn1cc(C(=O)N[C@H]2C[C@@H]2CNC(=O)OC(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)n1 2247817267 LKUHKQYUMISVDU-OCCSQVGLSA-N 420.319 1.362 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCN(C(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247825470 FFRVQHKMJXEODG-ZDUSSCGKSA-N 420.319 1.696 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1CCN1C(=O)c1ncc(B2OC(C)(C)C(C)(C)O2)cn1 2247834253 SPLLJZFTZSVYKH-CQSZACIVSA-N 418.303 1.515 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1COC[C@H]1NC(=O)c1coc(B2OC(C)(C)C(C)(C)O2)c1 2247910975 RCHMSBOGZQLVNW-KGLIPLIRSA-N 422.287 1.601 30 10 HDEE C=CC1(CNS(=O)(=O)C[C@H](NC(=O)OCc2ccccc2)C(=O)OC)CCC1 2258151647 SECLCCIRODVZDY-INIZCTEOSA-N 410.492 1.730 30 10 HDEE C[S@@](=O)CCNS(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2267703187 SCMNTFPVDZLLOC-XMMPIXPASA-N 407.750 1.296 30 10 HDEE CC1(C)OB(c2csc(C(=O)N[C@H]3CCOC[C@H]3CO)c2Cl)OC1(C)C 2281933095 VAVHWXONUKJYRN-PWSUYJOCSA-N 401.721 1.828 30 10 HDEE COCCNC(=O)CNC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl 2281938162 KJIGWFMOMWVHDQ-UHFFFAOYSA-N 402.709 1.193 30 10 HDEE C[C@@H]1CC[C@H](C2OCCO2)N(C(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282044719 REEJZJMRJLOGTO-UKRRQHHQSA-N 405.304 1.333 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H](C)C(=O)N(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282307683 GVWHMAXOBPQECU-LLVKDONJSA-N 402.347 1.111 30 10 HDEE CC(=O)NCCCNS(=O)(=O)c1cc(C)c(B2OC(C)(C)C(C)(C)O2)s1 2282316450 CLMQLYMLSUNIEC-UHFFFAOYSA-N 402.347 1.160 30 10 HDEE COCC(C)(COC)NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282352571 ASEPBNBBNSGKBH-UHFFFAOYSA-N 405.347 1.377 30 10 HDEE CC1(C)OB(c2cc(Cl)c(S(=O)(=O)NC[C@H]3C[C@H]3N)c(Cl)c2)OC1(C)C 2282489149 FPEVRKYEJVGRJI-NOZJJQNGSA-N 421.155 1.918 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@@H]2C[C@H]2CO)c1B1OC(C)(C)C(C)(C)O1 2282496400 ACGIBMMXXNUTGH-STQMWFEESA-N 401.359 1.571 30 10 HDEE CN(Cc1cnns1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282508808 BGFHUVNJASWZAG-UHFFFAOYSA-N 416.359 1.256 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)Nc3nnc(CN)o3)cc2Cl)OC1(C)C 2282825518 KMCCYRWDLSAGAZ-UHFFFAOYSA-N 420.709 1.343 30 10 HDEE Cc1cc(S(=O)(=O)N[C@@H]2CC(C)(C)[C@H]2O)sc1B1OC(C)(C)C(C)(C)O1 2282828856 VYFQUYJUKDNPGH-YPMHNXCESA-N 401.359 1.793 30 10 HDEE CN([C@H]1CCNC1)S(=O)(=O)c1c(Cl)cccc1B1OC(C)(C)C(C)(C)O1 2282837638 FUGUUQXIWAGANR-LBPRGKRZSA-N 400.737 1.622 30 10 HDEE CN(C1CC(CF)C1)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282838653 SAGBFKXRVDNTKH-UHFFFAOYSA-N 404.338 1.952 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)NC[C@@]2(C)CCOC2)OC1(C)C 2282839665 HICRKGNOJWOGMJ-QGZVFWFLSA-N 401.359 1.893 30 10 HDEE Cc1cc(S(=O)(=O)NCC(=O)NC(C)C)sc1B1OC(C)(C)C(C)(C)O1 2282840802 PTFNUOLWUGIYPX-UHFFFAOYSA-N 402.347 1.159 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N2C[C@H](C)[C@H](N)C2)c1B1OC(C)(C)C(C)(C)O1 2282871867 MTXTVMDBJHLIGH-GXFFZTMASA-N 400.375 1.632 30 10 HDEE C[C@@H]1CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C[C@@H]1C(=O)O 2284397017 HMHCZYGVTLAADQ-MNOVXSKESA-N 401.315 1.389 30 10 HDEE CCN(CCCC(=O)O)S(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2284405228 ICCSBOCGDCFGBH-UHFFFAOYSA-N 403.331 1.923 30 10 HDEE Cc1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NOCCNC(=O)OC(C)(C)C)n1C 2300295875 FIWXIEQCNQWHEY-UHFFFAOYSA-N 424.307 1.214 30 10 HDEE C#Cc1ccccc1NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O 2317642950 HNPJOQKNBVBQGX-KRWDZBQOSA-N 402.428 1.789 30 10 HDEE COCc1nnc(SC)n1N=Cc1ccc(OCCN2CCOCC2)c(OC)c1 2331548580 HYBBMHLVNGCIMN-UHFFFAOYSA-N 421.523 1.748 30 10 HDEE CN1CCN(C2(C(=O)O)CCC(NC(=O)OCc3ccccc3)CC2)C[C@@H]1C#N 2345154922 LMZVJEVDSHPVTO-WBTXTPOCSA-N 400.479 1.818 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@@H]3C[C@@H]3CC(=O)O)c2)OC1(C)C 2360943341 GBCYEZZLJOOBKM-MNOVXSKESA-N 401.315 1.436 30 10 HDEE Cn1nc(I)cc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c1cn(C)nc1I 2367798895 VJAVMCSQGKZJLT-NSHDSACASA-N 407.277 1.256 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)[C@H]1CCOCCN1C(=O)OC(C)(C)C 2367801204 PUKQMIIAUKVOHP-JKSUJKDBSA-N 400.541 1.571 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@]1(O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2367814737 DWHANDWQIAQLAL-KHYOSLBOSA-N 400.541 1.211 30 10 HDEE CCC[C@H](CNC(=O)OC(C)(C)C)[C@@H](O)[C@H](N)C#CC1(S(C)(=O)=O)CCC1 2367829982 FGCKCNJDCFUQON-BZUAXINKSA-N 402.557 1.586 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@]3(O)CCCSC3)s2)OC1(C)C 2369681596 IAPSDXDFRHQDDT-INIZCTEOSA-N 419.399 1.584 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC(c3nnc4ccccn34)CC2)cc1 26074529 KKDBNNHFRMTCSC-UHFFFAOYSA-N 423.498 1.661 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2cc(OC)c(OC(F)F)cc2[N+](=O)[O-])CC1 29598788 PTKOKRLYWOHRQW-UHFFFAOYSA-N 414.409 1.625 30 10 HDEE Cc1nn(CCO)c(C)c1/C=N/Nc1nc(SCC(=O)NC2CCCCC2)n[nH]1 59888289 NKBPQVKJUIITLQ-VXLYETTFSA-N 420.543 1.597 30 10 HDEE CCOc1cc(/C=N\N(CC(=O)O)CC(=O)O)ccc1OCC(=O)N(CC)CC 169880579 FUIZBFDIAHVBCF-JMIUGGIZSA-N 409.439 1.138 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2c(C#N)cnn2C)cc1OC 170496976 ZBRPCYVRNYYYEF-AWEZNQCLSA-N 419.463 1.101 30 10 HDEE C[C@@H](C(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)C2CCCC2)C1)n1cnc(C#N)n1 409918063 FMMPEVJXFCHUOD-DZGCQCFKSA-N 410.482 1.969 30 10 HDEE Cc1ncc(S(=O)(=O)Nc2ccccc2C(=O)N2CCC[C@H](O)C2)cc1C#N 427115928 WIXRXHHAFTWEMQ-HNNXBMFYSA-N 400.460 1.659 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)NC3(CO)Cc4ccccc4C3)C2=O)cc1 438298694 AFBZQNGMJFUQRH-FQEVSTJZSA-N 404.470 1.883 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)C(=O)NCc1cccc(N3CCCS3(=O)=O)c1)CC2 462934535 HGBSFGRMJHNHJJ-UHFFFAOYSA-N 424.482 1.304 30 10 HDEE N#Cc1ccc(N2CCO[C@H](C(=O)C3CC3)C2)nc1N1CCO[C@@H](C(=O)C2CC2)C1 480174414 AWQIRMZXERVJMO-ZWKOTPCHSA-N 410.474 1.322 30 10 HDEE Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cc1C 485990390 NDLREDZKXOWTNN-HXUWFJFHSA-N 404.470 1.822 30 10 HDEE Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)C1=O 489986332 PTGUAZYFROGKND-DLBZAZTESA-N 423.477 1.041 30 10 HDEE C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@](C)(C#N)CC(=O)OC(C)(C)C)CC1 507289053 CWBUWMZHJCCZQH-IIBYNOLFSA-N 406.527 1.403 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCO[C@H](Cn2cc(C)cn2)C1 508934054 IAAKSKXMMAVHIE-KRWDZBQOSA-N 401.515 1.793 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C)c(C)cc2C)c(=O)n1C[C@H]1CCCO1 514916956 CAQSRWUOIGGIFT-QGZVFWFLSA-N 411.527 1.263 30 10 HDEE C[C@@H](CNC(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)N1CCCCC1=O 527258520 ATSQZVQAVDJNKM-WMLDXEAASA-N 411.462 1.280 30 10 HDEE C=CCCOCCNC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 535244695 AIGPOCAHTHKGSQ-UHFFFAOYSA-N 403.526 1.161 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)c(OC)c1 543085803 WTFNZIZZVSFWIW-QGZVFWFLSA-N 412.490 1.843 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)Nc3ccccc3CN3C(=O)CCC3=O)CC2)n1 545505275 NNIYQNGGMBMJKS-UHFFFAOYSA-N 418.457 1.956 30 10 HDEE C=C(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](NC(=O)C(C)C)C1 549282637 OQVDBPPMQFAWQB-JKSUJKDBSA-N 409.556 1.497 30 10 HDEE COC(=O)C[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCO2)CCO1 555409141 DSODCJNTNLYQSG-MSOLQXFVSA-N 411.462 1.764 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](Cc2noc(C)n2)C1 558980547 HNRYXSXWJAVGQU-JKSUJKDBSA-N 420.539 1.907 30 10 HDEE CC(C)[C@H](C#N)N1CCN(C(=O)CN[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 559773998 LKXQGGSISUUINP-RZUBCFFCSA-N 419.520 1.992 30 10 HDEE N#Cc1ccc(S(=O)(=O)Nc2cnc(N3CCN(c4ccccn4)CC3)nc2)cc1 585435613 ZYRTZKITBOEAAV-UHFFFAOYSA-N 421.486 1.871 30 10 HDEE CN1C[C@@H]2CCN(CC(=O)Nc3c(C#N)c4c(n3C[C@H]3CCCO3)CCCC4)[C@H]2C1 590011717 DWCFLBJZPLPCNR-FVJLSDCUSA-N 411.550 1.992 30 10 HDEE C=CCNC(=O)NC(=O)CN(CC(=O)NC(=O)NCC=C)[C@H]1CCCC[C@@H]1CC 603634394 NJWRMVALBHYKQV-HOTGVXAUSA-N 407.515 1.281 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2ccc(F)cc2F)c(=O)n1-c1ccccc1C 603924543 UMAZRGJMSUQXPC-UHFFFAOYSA-N 411.433 1.735 30 10 HDEE Cn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2ccc(OCC(F)F)cc2)c1=O 607947525 PWSVCPLMIFJAPW-UHFFFAOYSA-N 404.438 1.963 30 10 HDEE N#Cc1ccc(CN2C(=O)CN(CN3CCNC(=O)C[C@@H]3c3ccccc3)C2=O)cc1 726587230 WMMHSFWJBNKYOB-HXUWFJFHSA-N 417.469 1.843 30 10 HDEE O=C(NCCN/C(O)=C1\N=CC=CC1=O)Nc1nnc(Cc2cccc(F)c2)s1 732433393 HOYYFTPIZDJWCQ-FOCLMDBBSA-N 416.438 1.916 30 10 HDEE Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(C4CC4)[C@@H](C#N)C3)C2)cc1 732647640 JAJQVKAGVBPOSP-HKUYNNGSSA-N 416.547 1.595 30 10 HDEE N#C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)NCC(F)(F)F)c2)CCN1C1CC1 732669022 FTPRWPARHDJGLF-AWEZNQCLSA-N 416.425 1.340 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)NCCN(C)C)SC1=Nc1ccc(OC)nc1 733200713 KBXHGGFEGLVKPS-OAHLLOKOSA-N 403.508 1.113 30 10 HDEE C#CCCN1C(=O)[C@@H](CC(=O)Nc2cnccn2)S/C1=N/CCc1ccccn1 733202982 ZTVYLNQRWHIFSP-CLXZYQIKSA-N 408.487 1.766 30 10 HDEE CCCC[C@H](/N=C1/NS(=O)(=O)c2ccccc21)C(=O)N[C@H]1CCC(=O)N(C)C1 737954516 DTAGEDYRPFVDIM-ZFWWWQNUSA-N 406.508 1.021 30 10 HDEE CCCN1CCC(CNC(=O)C[C@H](C)/N=C2/NS(=O)(=O)c3ccccc32)CC1 742603213 GCESLXSTDCQGKZ-HNNXBMFYSA-N 406.552 1.742 30 10 HDEE C#CCOc1ccc(NC(=O)C(=O)NCCCN2C(=O)COc3ccccc32)cc1 743932027 AXWVKRAWSKPKLK-UHFFFAOYSA-N 407.426 1.569 30 10 HDEE CN(C)c1ncc(NC(=O)CCCCC/N=C2/NS(=O)(=O)c3ccccc32)cn1 752434407 GBKSZCHLTDMXBR-UHFFFAOYSA-N 416.507 1.780 30 10 HDEE C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)NS(=O)(=O)Cc1ccccc1C#N 756217310 NDUAGGSBGGTFLT-CYBMUJFWSA-N 424.475 1.753 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)CN1C(=O)N[C@](C)(c2cc(C)ccc2OC)C1=O 756545882 WXHZGRQLQVQYIY-KSFYIVLOSA-N 413.474 1.411 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1S(=O)(=O)c1c(Cl)nc2ccccn12 757372232 DPADQDFZIAGEJE-GFCCVEGCSA-N 417.882 1.549 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)c3cccnc3I)CC2)n1 761225574 JOTNVKINIKQTHP-UHFFFAOYSA-N 419.226 1.915 30 10 HDEE Cc1cc(Cl)ccc1C=c1sc(=C(C#N)C#N)n(CCN2CCOCC2)c1=O 766385968 DIOURYPDQPJWRQ-UHFFFAOYSA-N 414.918 1.230 30 10 HDEE C#CCN(C(=O)NCc1cccc(CN2CCCC2=O)c1)[C@@H]1CCS(=O)(=O)C1 774164069 IKXXEMHMZDCVSD-GOSISDBHSA-N 403.504 1.141 30 10 HDEE C[C@H](OC(=O)c1cccc(F)c1C#N)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 778368670 AYPXZRIXUFFZJN-NEPJUHHUSA-N 419.434 1.767 30 10 HDEE Cn1cc(C[C@H](O)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)cn1 786859717 RLCCIPBVIHVZTM-HNNXBMFYSA-N 402.476 1.707 30 10 HDEE C#CCn1ccc(CN(CCOC)CC(=O)[C@H](C#N)c2nc(O)c3ccccc3n2)n1 789324830 UPIYVKZUICYQTD-SFHVURJKSA-N 418.457 1.490 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1 801132066 WFRWOCHOTUJZFP-QFIPXVFZSA-N 412.511 1.764 30 10 HDEE N#Cc1ccc(C(=O)NS(=O)(=O)c2cc(Br)c(C#N)cc2F)cn1 809125062 ZDJGDBHBAUTSMO-UHFFFAOYSA-N 409.196 1.845 30 10 HDEE COc1cc(CNC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)ccc1C#N 812251318 PMIPAUCURUBVMN-SFHVURJKSA-N 418.494 1.849 30 10 HDEE CN(C)S(=O)(=O)n1ccnc1C=NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 814697337 JSLOWLRRCDELFK-UHFFFAOYSA-N 406.346 1.911 30 10 HDEE N#CCCC[C@@H](NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1ccccc1 817320019 VTWGHWYMFLWYLU-IAGOWNOFSA-N 416.503 1.703 30 10 HDEE COc1ccc(CSc2nnc(NN=Cc3c(C)nn(CCO)c3C)n2N)cc1 1084169867 PZBQDPNGZNJBFT-UHFFFAOYSA-N 416.511 1.544 30 10 HDEE O=C1C(=NNC(=S)NCc2ccccc2)c2ccccc2N1CN1CCOCC1 1084309212 FNOWVXQECCCRRU-UHFFFAOYSA-N 409.515 1.691 30 10 HDEE CCOC(=O)CCN(C(=O)CC[C@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O)C(C)C 1130517941 AWRXSFAAAOKTBP-QGZVFWFLSA-N 414.462 1.953 30 10 HDEE COc1nc(C)cc(C)c1CN(C)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 1131656238 NUSZQQZVJMNEFH-UHFFFAOYSA-N 402.476 1.404 30 10 HDEE O=C(CCC(=O)c1ccc(I)cc1)N[C@@H]1CCCN(O)C1=O 1141463559 OTIRQIQQJUVLGH-GFCCVEGCSA-N 416.215 1.751 30 10 HDEE C#C[C@H](CO)NC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1 1141496362 PQYLHZVKMHYUBV-CQSZACIVSA-N 423.288 1.974 30 10 HDEE C#CCN(C(=O)[C@@H](CC(=C)Cl)NC(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1142046945 RJZQCADMZMKFER-ZIAGYGMSSA-N 404.916 1.671 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)c2cc(C)n([C@H]3CCCOC3)c2C)CC1 1144027840 QAIFEOHUCGGXFZ-IBGZPJMESA-N 400.523 1.354 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1 1150870015 HFBRDBTVPHNJSP-CQSZACIVSA-N 408.418 1.957 30 10 HDEE N#Cc1cccc(ONC(=O)[C@H]2CCCN2C(=O)/C=C/c2ccc(C(N)=O)cc2)c1 1151432214 SASIQGCVPLCPOX-UFUQCMIWSA-N 404.426 1.772 30 10 HDEE N#C[C@@]1(C(=O)N2CCn3c(nnc3-c3cncc(Br)c3)C2)CCCOC1 1156141195 QRPJCDYQFJHFIH-KRWDZBQOSA-N 417.267 1.765 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCCC[C@H]2C(=O)NCC(F)F)c1 1158319176 RVOBDJUVWOMBIL-HNNXBMFYSA-N 415.462 1.527 30 10 HDEE CN(c1cccc(C#N)c1)[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2cccnc2)C1 1163652238 MVJDUPAXRJJOII-SFHVURJKSA-N 413.503 1.311 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)NC3(CNC(=O)OC(C)(C)C)COC3)cc2C1=O 1167448271 AIDKRNICLZTCMF-UHFFFAOYSA-N 415.446 1.492 30 10 HDEE N#Cc1cc(F)ccc1N1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)CC1 1171843338 IDMJCUJSLUFECV-RTBURBONSA-N 409.421 1.317 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 1177758886 HSYCLJGNZXHRCA-MRXNPFEDSA-N 424.954 1.350 30 10 HDEE CON=Cc1ccc(C(=O)N[C@H]2CC(=O)N(C3CN(C(=O)OC(C)(C)C)C3)C2)cc1 1179999593 BKFBAISKSZBMJC-INIZCTEOSA-N 416.478 1.617 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)NCc2nnc3c(=O)[nH]ccn23)cc1 1199059760 YAIVXUSWNCDNOY-UHFFFAOYSA-N 407.434 1.554 30 10 HDEE C#CCOc1ccc(CNC(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)cc1 1251291571 QDYWPOBULHKORL-UHFFFAOYSA-N 412.534 1.784 30 10 HDEE COC(=O)[C@@H]1C[C@H]2CC[C@H]1N(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)C2 1275543384 QDZGRZYJEXLSFL-KBRIMQKVSA-N 405.476 1.292 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)OC)c1 1286312668 YAHBFRXKCMWLFC-MRXNPFEDSA-N 424.505 1.492 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(C)nc3ccccc23)n1CC(=O)N(C)C 1286459452 LWRWMHQFOHCWRJ-UHFFFAOYSA-N 406.490 1.976 30 10 HDEE C#CCN(CCOC)c1nnc(-c2ccc(C#N)cc2)n1C[C@H]1CCS(=O)(=O)C1 1286460454 NIZYONGZIAWXGL-QGZVFWFLSA-N 413.503 1.337 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2C[C@H]2CCN(CC)C2)CC1 1286493480 CGUJAHPUONMYHC-KRWDZBQOSA-N 402.543 1.122 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@H](C(F)(F)F)C1 1286606136 HXEANOWIIHNDAE-IHRRRGAJSA-N 417.432 1.978 30 10 HDEE C=CCCCn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1286702441 RKZRETZXCPUBQF-UHFFFAOYSA-N 423.521 1.157 30 10 HDEE C[C@H](CC#N)N(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1288518664 WOTHGICYEFOYAM-SJLPKXTDSA-N 400.531 1.654 30 10 HDEE N#Cc1c(F)cccc1-n1ccc(NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3[nH]2)n1 1296253116 DWOIVMLDVBXVHY-ROUUACIJSA-N 406.377 1.792 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCC[C@H]1C(=O)N=S(C)(C)=O 1299035125 QMSQBLQKZXOKRN-KBPBESRZSA-N 414.528 1.819 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2ccc(CC(=O)OC)c(F)c2)c1 1299523730 IUFBPWJAFQBDHJ-UHFFFAOYSA-N 404.419 1.705 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccccn2)n1CCc1ccc(S(N)(=O)=O)cc1 1300295366 GUUPZTXYTORAAF-OAHLLOKOSA-N 410.503 1.688 30 10 HDEE CC#CC[C@@H](CO)NC(=O)c1sccc1S(=O)(=O)N1CCCC[C@@H]1CCO 1300301627 SUGHFUVRWGIELA-LSDHHAIUSA-N 414.549 1.178 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN([C@H](C)C(=O)NC2CC2)CC1 1300358070 HOJUNYZQGCPPJW-QGZVFWFLSA-N 424.553 1.271 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CC1(C(N)=O)CCCC1 1300537888 LHUWRRJQWIOAFB-IBGZPJMESA-N 419.485 1.909 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCO1 1300657054 FHHHAPYUOZJHNC-KRWDZBQOSA-N 418.519 1.614 30 10 HDEE C=CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@@H]1NC(=O)CC1(C)C 1301289742 NVPIVGVXONVTIL-INIZCTEOSA-N 421.505 1.729 30 10 HDEE CC(C)C(=O)NCCn1c(C2CCC2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1302467548 JIGQRDHXGHNUIE-UHFFFAOYSA-N 409.494 1.853 30 10 HDEE C=C(CN(C)C)C(=O)N1CCNC(=O)[C@@H]1c1ccc(I)cc1 1304364337 QQKPVDRDFTTWDR-AWEZNQCLSA-N 413.259 1.409 30 10 HDEE C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCO[C@H](CS(C)(=O)=O)C2)cc1 1310196697 UTDCJXJRWNZIBL-SFHVURJKSA-N 421.519 1.778 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1 1313097085 JPCLUYICMNVJOQ-QGZVFWFLSA-N 403.479 1.600 30 10 HDEE CN(C)CCOCCn1c(-c2cccc(C#N)c2)nnc1N1CCC[C@H](C(N)=O)C1 1314669807 DNGLJBMPLJPPOW-SFHVURJKSA-N 411.510 1.097 30 10 HDEE CN(c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1314683970 YVRQPVYTHJUAQA-INIZCTEOSA-N 422.470 1.953 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3cccnc3)n2CCN/C(O)=C2/N=CC=CC2=O)C1 1315911661 NFPVSQOVRRJXJN-ZJYNUGOYSA-N 423.477 1.339 30 10 HDEE N#CCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCO[C@H]2CCOC2)CC1 1316538119 JFPIFNZWHXMQAR-DLBZAZTESA-N 402.499 1.555 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@@]2(C)CCCS2(=O)=O)c1 1354286022 NDXOATXFUFXNIX-JFPYRBRCSA-N 413.521 1.405 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCn1ccnc1C 1358890874 WLCXVTUAKAXDNN-RDJZCZTQSA-N 404.540 1.623 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CCS(=O)(=O)NC 1358972667 NTACNDCSFNXDKB-UHFFFAOYSA-N 413.547 1.865 30 10 HDEE C=CCn1c(N2CCC(N3CCN(CC)C3=O)CC2)nnc1[C@@]1(OCC)CCOC1 1359290138 KBOCNEVEJSCDFW-OAQYLSRUSA-N 418.542 1.843 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(C(C)=O)C[C@@H]1C 1359302180 YNXHUJLIIAGSMG-HNNXBMFYSA-N 414.485 1.367 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1C[C@]1(C)COCCO1 1360169689 OLXDXJBEWCCSKE-OAQYLSRUSA-N 412.494 1.730 30 10 HDEE N#CC1(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)CCOCC1 1361016972 XRSHIGBVUVEZFL-UHFFFAOYSA-N 411.455 1.496 30 10 HDEE C[C@H]1C[C@@H](NC(=O)c2cccc(C#N)c2Br)C(=O)N1c1cnn(C)c1 1361060505 YIBIPJNOCSVIJS-IINYFYTJSA-N 402.252 1.978 30 10 HDEE C#CCN(C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1)c1nccs1 1435398772 GBQLUCAFTFNAGE-UHFFFAOYSA-N 414.512 1.970 30 10 HDEE CN(CC(=O)N1CC[C@](C)(C#N)C1)S(=O)(=O)c1ccc(Br)cc1 1437902415 RQQYZDADLCSCPJ-OAHLLOKOSA-N 400.298 1.832 30 10 HDEE C=C(C)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1)C(=O)OC 1438403929 WHWWVUKJXHZADM-IAGOWNOFSA-N 418.490 1.719 30 10 HDEE C[C@]1(C#N)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCO1 1439706947 GEERFOJHLIJIGF-WMZOPIPTSA-N 422.463 1.279 30 10 HDEE C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c[nH]nc1I 1446138829 LSUUSPMKHOTPBU-VIFPVBQESA-N 423.218 1.027 30 10 HDEE CNC(=O)N1CCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)CC1 1447720297 TYFXLGCZGFKKMF-CHWWFWEZSA-N 405.499 1.257 30 10 HDEE CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2Cc3ccc(C#N)cc3C2)c1 1461179792 AVBUOQCJMRQIGJ-UHFFFAOYSA-N 414.487 1.293 30 10 HDEE C=C[C@](C)(CCOC)C(=O)NCC[C@@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 1462718148 CYFAPZOHNKFGGO-DNVCBOLYSA-N 418.556 1.756 30 10 HDEE C=CCNC(=O)CNC(=O)Nc1cc(Br)ccc1N1CCN(C)C(=O)C1 1467023758 WLPRMCJTTGUWOW-UHFFFAOYSA-N 424.299 1.151 30 10 HDEE C=CCOC[C@H](NC(=O)CO[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)OC 1467515114 FEOGJLGRDNMYGM-CABCVRRESA-N 400.472 1.263 30 10 HDEE CC#CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(CC)c1 1467667686 NGJQEKAYKGILDI-LPNVONKKSA-N 422.551 1.842 30 10 HDEE C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)c1c[nH]c2cc(F)c(F)cc2c1=O 1472528980 HGLXCBQNEWGQSM-LLVKDONJSA-N 410.384 1.819 30 10 HDEE CCc1ccccc1NC(=O)Cn1c(=O)c(C#N)cn(CC(=O)OC(C)(C)C)c1=O 1473069387 QRKVIKZAYLRJOS-UHFFFAOYSA-N 412.446 1.424 30 10 HDEE C#Cc1cccc(NC(=O)CNS(=O)(=O)c2cc(C(=O)N(C)C)ccc2OC)c1 1474856766 QJAQOQMGPPYARI-UHFFFAOYSA-N 415.471 1.295 30 10 HDEE CS(=O)(=O)N1CC[C@@H](NC(=O)Nc2ccc(Oc3ccc(C#N)cn3)cc2)C1 1476056399 AXACDNJVAYZNCH-OAHLLOKOSA-N 401.448 1.901 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2F)n1CC(=O)N1CCOCC1 1507545395 JOIQEZVBDFQAQB-HNNXBMFYSA-N 401.442 1.313 30 10 HDEE C#CCCCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1507558348 HZJLSVNATLMSSC-UHFFFAOYSA-N 421.549 1.888 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cccc(C)c1 1507616870 OUCNVRAHNGPWRC-GOSISDBHSA-N 417.535 1.232 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1CC(O)(CC)CC)[C@@H]1CCS(=O)(=O)C1 1507628176 GNGIKMSVQIWCEK-MRXNPFEDSA-N 419.551 1.461 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCC(=O)NC1CCCCC1 1507689159 HMVCBZNVOGHDBQ-INIZCTEOSA-N 421.567 1.479 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1507691037 ZMIJFRFLTVKPKT-IRXDYDNUSA-N 410.526 1.742 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(C)CC(=O)N1CCOCC1 1507945322 FWNHWVUNHWEHEF-UHFFFAOYSA-N 416.482 1.267 30 10 HDEE C=CCN(C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(O)CCOCC1 1507973139 SVRALMFVEMSHDK-UHFFFAOYSA-N 406.508 1.512 30 10 HDEE C=CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 1508057726 LSXHFBKXFLXTNE-INIZCTEOSA-N 410.526 1.964 30 10 HDEE C=CCNC(=O)Cn1c(C)nnc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 1508075950 WLGOXXONABRQII-UHFFFAOYSA-N 415.473 1.818 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@](C)(O)c2ccsc2)C1 1508122042 HPMCGCPMMMLZNI-GQIGUUNPSA-N 417.535 1.980 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1ccc(OC)nc1 1519274543 CCIYNYSMXHJHAI-KUHUBIRLSA-N 404.446 1.896 30 10 HDEE N#Cc1cccc(-c2nnc(N3C[C@@H]4CCC(=O)N[C@H]4C3)n2CCOCC(F)F)c1 1521069341 IXWPSHSUSVRYQW-HOTGVXAUSA-N 416.432 1.813 30 10 HDEE C#CCO[C@@H](C)C(=O)NCCNS(=O)(=O)c1cc(C)ccc1Br 1525389002 WNWWMPDNMDKOAU-LBPRGKRZSA-N 403.298 1.190 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3COC[C@H]3C3CC3)CC2)cc1 1537608628 AFAIJTCQNYMGTG-OALUTQOASA-N 403.504 1.500 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCN1c1cc(NC)ncn1 1539015291 UCZKMPUYDDKDRC-ULQDDVLXSA-N 410.526 1.741 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccc(F)cc2)n1C[C@H]1CCS(=O)(=O)C1 1539031771 PCLKZRUVXKHXLP-LSDHHAIUSA-N 406.483 1.889 30 10 HDEE C#CCN(C)c1nnc(COc2cccc(C)c2)n1CCN/C(O)=C1/N=CC=CC1=O 1539194176 SBBOOLHQFFAFHR-MRCUWXFGSA-N 420.473 1.761 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1CCc1ccncc1)[C@H]1CCS(=O)(=O)C1 1539202361 HIFJELLQTXXIBZ-KRWDZBQOSA-N 401.536 1.840 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1CC(C)(C)SC)[C@@H]1CCS(=O)(=O)C1 1539230021 BAUPASFPPUOZEM-HUUCEWRRSA-N 412.581 1.898 30 10 HDEE C#CCN(CC)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1CCC(C)(C)O 1539350509 OEVAOWPSEPNEPK-UHFFFAOYSA-N 419.551 1.816 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC[S@@](=O)CC 1539362199 SBDDYRPHKJONLH-LJAQVGFWSA-N 412.519 1.420 30 10 HDEE C=CCN(C)c1nnc(C(=O)N2CCCC2)n1CCNC(=O)Cc1cccc(F)c1 1540044488 WAHVITXVDAEKTH-UHFFFAOYSA-N 414.485 1.634 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1nc([C@@H](C)OCC)no1 1540858481 YGTUBKLAFISLAW-OLZOCXBDSA-N 410.500 1.483 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@](C)(OC)CC1 1540874189 XTEPEKKDGKNKRQ-HXUWFJFHSA-N 404.515 1.098 30 10 HDEE C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1cccc(COc2ccc(CC#N)cc2)c1 1541105572 TZMPIDMREYMDQP-OAHLLOKOSA-N 419.445 1.462 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccc(F)cc3)n2CC(=O)NCC2CC2)C1 1555984693 AFLKDAXXSDDLOJ-HXUWFJFHSA-N 400.433 1.976 30 10 HDEE C=CCn1c(SCC(=O)N[C@H]2CC(=O)N(C)C2=O)nnc1-c1ccc(Cl)cc1 1556362256 XCOYOIKHPGUGHU-ZDUSSCGKSA-N 419.894 1.750 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CS(=O)(=O)c2ccccc2O1 1557143788 DMJGDRKAIQKHNN-LSDHHAIUSA-N 422.503 1.644 30 10 HDEE C=CCn1cc(CNS(=O)(=O)c2cc(Br)cc(C(=O)OC)c2)nn1 1561675427 KLURVMXFQWJGOY-UHFFFAOYSA-N 415.269 1.492 30 10 HDEE C=CC1(CC(=O)NC2CCN(CC(=O)N(C)C)CC2)CN(C(=O)OC(C)(C)C)C1 1565596012 JRBIYXHOYHLTHZ-UHFFFAOYSA-N 408.543 1.468 30 10 HDEE C=CCC[C@@H](NC(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C(=O)OCC 1569184494 OYLXUKFWZPDXDS-MRXNPFEDSA-N 421.519 1.862 30 10 HDEE C[C@@]1(c2ccc(F)c(Cl)c2)NC(=O)N(CC(=O)N2CC[C@](O)(CC#N)C2)C1=O 1570694676 GJMJONDAXWUSDI-ZWKOTPCHSA-N 408.817 1.123 30 10 HDEE C#CCN(C(=O)CCCN(C)C1=NS(=O)(=O)c2ccccc21)C1CCN(C)CC1 1585114871 DXDAVKHAZPKBKU-UHFFFAOYSA-N 416.547 1.404 30 10 HDEE C#CCCN1CCC(NC(=O)c2cccc(S(=O)(=O)N=S(C)(C)=O)c2)CC1 1586802726 NGJRXHZVCYYVPB-UHFFFAOYSA-N 411.549 1.320 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(C)C 1588124400 KOUDJSDEKGNFFA-INIZCTEOSA-N 403.490 1.215 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCSCC1 1588174332 WFQPUMWOBHDNDR-UHFFFAOYSA-N 423.546 1.437 30 10 HDEE C#CCN(CC)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCNC(=O)C1CC1 1588314623 LDNNLOFCLUZEIY-UHFFFAOYSA-N 419.489 1.178 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2C[C@@H]2C)n1 1588722946 INGRLMITTIWNQI-DLBZAZTESA-N 408.510 1.817 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(C(N)=O)nc2)CC1 1588769695 XOJQGRDJVVTQIE-UHFFFAOYSA-N 405.462 1.144 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCO3)n2CCCN2CCCCC2=O)CC1 1588876893 MRVJEYDOVWJURM-GOSISDBHSA-N 400.527 1.287 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCCN2C[C@H](C)O[C@@H](C)C2)CC1 1588890928 IRSINXNAZYYUAC-IRXDYDNUSA-N 402.543 1.052 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCN(CC)C2)CC1 1588929548 CQTYKFJFOSZPFS-MJGOQNOKSA-N 414.554 1.090 30 10 HDEE C#CCN(CC(=O)N[C@@H]1CCN(c2ccccc2OC)C1=O)C(=O)OC(C)(C)C 1595983698 MEAYFUZWSLZKJG-OAHLLOKOSA-N 401.463 1.787 30 10 HDEE C#CCN(C(=O)c1cn(C[C@@H](O)CC)nn1)C1CCN(C(=O)OC(C)(C)C)CC1 1596146851 FBAAEOWEXNMYRG-INIZCTEOSA-N 405.499 1.524 30 10 HDEE Cn1c(O)nc(N2CC[C@@H](NC(=O)c3cccc(C#N)c3Br)C2)cc1=O 1597992295 BPKBVHLTPYDFOM-LLVKDONJSA-N 418.251 1.129 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@]23CCC[C@]2(OCCOC)OCC3)cc1 1603639969 UPSJQGVHTOELHD-WOJBJXKFSA-N 424.519 1.583 30 10 HDEE C=CCCn1cc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(CC)CC2)nn1 1607436352 HEFXRJNCZGPQHG-IBGZPJMESA-N 410.522 1.359 30 10 HDEE C[C@@H]1CSCCN1c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1\N=CC=CC1=O 1613016419 WLGJCESRHUDPGI-DOXHGZAWSA-N 413.507 1.741 30 10 HDEE C=CCN(C(=O)c1nc(O)nc(O)c1OC)[C@H](Cc1ccccc1)C(=O)OCC 1616305676 NWWCBCDVQJDJDX-CQSZACIVSA-N 401.419 1.699 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)Cc2ccc(C)cc2)s1 1616318066 ZZJQQYICCZXLEF-INIZCTEOSA-N 408.545 1.783 30 10 HDEE N#Cc1cc(Br)ccc1CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1 1617493261 CKNLEBVMJCLLAG-LLVKDONJSA-N 400.298 1.390 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H]2CCCN2C[C@H]1C 1618815650 PSOWDUAFGUIUBK-AEFFLSMTSA-N 423.521 1.538 30 10 HDEE N#Cc1ccc(-c2nnc(N3CC[C@@H](C(N)=O)C3)n2CCCO[C@H]2CCOC2)cc1 1620349128 GIYQPJQIDFZEFN-MSOLQXFVSA-N 410.478 1.324 30 10 HDEE N#CCCN(CC1CC1)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1620358754 DFZZANHRMAUXJR-SJORKVTESA-N 407.540 1.737 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)S(=O)(=O)C[C@H]2CC[C@@H](C(F)(F)F)O2)c1 1621669052 JTKDEPAZQOCVSO-CABCVRRESA-N 404.410 1.978 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)N2CCC(Oc3cncc(Cl)c3)CC2)C1=O 1625400696 OGVOVYVAHSOZOK-UHFFFAOYSA-N 406.826 1.082 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)Cc3ccc(-n4cnnc4)cc3)C2=O)cc1 1626694578 DOMHJNZBGBIVNK-FQEVSTJZSA-N 400.442 1.599 30 10 HDEE CC(C)(NC(=O)[C@H]1CC[C@@H](Cn2cnc3c(N)ncnc32)O1)c1cccc(C#N)c1 1629203742 QPXGWIYNIIDCQY-JKSUJKDBSA-N 405.462 1.879 30 10 HDEE CON(C)C[C@@H](O)Cn1cc(NC(=O)[C@H](Oc2ccccc2C#N)C(C)C)cn1 1630714325 GIZQYGFLYKDHQG-IEBWSBKVSA-N 401.467 1.651 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)/C(C)=C\c2ccc(Br)o2)CC1 1632623401 DHCNAEVNXXMKDO-OWBHPGMISA-N 408.296 1.729 30 10 HDEE C#CCNC(=O)CN1CCCN(C(=O)[C@H]2CC(c3cccc(Cl)c3F)=NO2)CC1 1632624040 MKOSKBUIIQNPSS-QGZVFWFLSA-N 420.872 1.256 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)NC[C@@H]3CCCN3CC(F)F)C2=O)cc1 1632967700 XNMVRPWMDIEQNH-HOTGVXAUSA-N 419.432 1.609 30 10 HDEE C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NCC(=O)NCC#N 1634922062 MFQAVXWCDXAWDF-AWEZNQCLSA-N 406.442 1.670 30 10 HDEE N#Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCC(N)=O)c1 1635412057 DZHZTDIJJNCRTJ-ZCNNSNEGSA-N 404.470 1.381 30 10 HDEE Cc1nn(C)c(N2CCN(C(=O)NCC3(S(C)(=O)=O)CCCCC3)CC2)c1C#N 1636969764 BTQZVXOYFXFBOK-UHFFFAOYSA-N 422.555 1.179 30 10 HDEE N#C[C@@]1(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CCc2ccccc2C1 1638848144 JWNNNXUQFDAZHZ-XMSQKQJNSA-N 424.888 1.881 30 10 HDEE COC(=O)c1ccc(NC2CCN(S(=O)(=O)C3CCOCC3)CC2)c(C#N)n1 1639501139 BGFUDHCUZAQDDB-UHFFFAOYSA-N 408.480 1.125 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC(=O)c2ccccc2O1 1642866942 NEXYMQBPQMULTP-DZGCQCFKSA-N 413.455 1.375 30 10 HDEE N#Cc1cncc(CNC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 1645029843 IZMLFANTZHZSJH-KRWDZBQOSA-N 400.460 1.341 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NCc1cncc(C#N)c1 1645029912 MCPHYXVMOBITKT-GOSISDBHSA-N 418.544 1.978 30 10 HDEE C[C@](O)(CN1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccc(Br)cc1F 1648501159 YGIUUHFNAXVNFL-KNXALSJPSA-N 417.300 1.666 30 10 HDEE C#CCC1(O)CCN(C(=O)C2=NO[C@]3(CCCN(C(=O)OC(C)(C)C)C3)C2)CC1 1650951831 SOSUYJJJNKDWJM-OAQYLSRUSA-N 405.495 1.909 30 10 HDEE C#CCN1CCC[C@H](NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)C1 1651805129 BSHQVLRUHITPLZ-WFXMLNOXSA-N 401.507 1.930 30 10 HDEE CCOC(=O)N1C[C@H](CO)[C@H](NC(=O)c2ccc(COc3ccccc3C#N)o2)C1 1653462644 JGIXPKIJUVYNIN-NVXWUHKLSA-N 413.430 1.909 30 10 HDEE COC(=O)[C@@](C)(CO)NCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccc(F)cc1 1654664061 AQLNRKNOXDYLQX-OAQYLSRUSA-N 416.453 1.616 30 10 HDEE C#CCCN(CCOC)S(=O)(=O)c1c(C)nn2cc(Br)cnc12 1656152046 BPULVAJIEQDLNV-UHFFFAOYSA-N 401.286 1.461 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCC3(CC2)CC(=O)C=CO3)CC1 1656298455 KRQRYRHWPBVWGJ-SFHVURJKSA-N 414.531 1.795 30 10 HDEE CN(Cc1nnn(CC#CCN2C(=O)c3ccccc3C2=O)n1)C(=O)c1ccccc1 1656308630 SBJFYHISSCQTIJ-UHFFFAOYSA-N 414.425 1.245 30 10 HDEE COCCN(CCC#N)S(=O)(=O)NC1CC2(CC(NC(=O)OC(C)(C)C)C2)C1 1657464341 FWPMKFTZJDSTFN-UHFFFAOYSA-N 416.544 1.519 30 10 HDEE C#CC(C)(C)NC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cc1 1657893014 BOFGKGVQIQZCDP-AWEZNQCLSA-N 407.492 1.794 30 10 HDEE C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 1659265807 WPTUOHHLOLCNKY-MRXNPFEDSA-N 403.552 1.583 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(F)ccc2N2CCCCC2)CC1 1668088525 JQSXNZNLRSEANA-UHFFFAOYSA-N 423.514 1.433 30 10 HDEE N#Cc1cn(CCNC(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2)c(=O)nc1O 1670589651 DFKQZRCGSZNMMH-LBPRGKRZSA-N 420.832 1.191 30 10 HDEE C#CCN(C)CCCNC(=O)NC[C@H](CO)Cc1cc(F)cc(Br)c1 1673202572 KRDCRZOJKFVRKS-OAHLLOKOSA-N 414.319 1.994 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(=O)Nc4ccccc4C3)C2=O)cc1 1682021186 BKCKLDCJFUREID-LJQANCHMSA-N 403.442 1.823 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC4(CC3)CC(=O)C=CO4)C2=O)cc1 1682226803 PKJKHVZOFDNEMO-LJQANCHMSA-N 408.458 1.706 30 10 HDEE N#CC1(CNC(=O)N2CCC(NS(=O)(=O)NCC(F)(F)F)CC2)CCCC1 1682422009 OCSIZULRPYQGRX-UHFFFAOYSA-N 411.450 1.231 30 10 HDEE C[C@@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)CC1 1685803908 YFQDITNHOLKYDO-KNBMTAEXSA-N 417.535 1.187 30 10 HDEE CC(=O)Nc1ccc(OC[C@H](O)CN(C(=O)NCC#CCN(C)C)C(C)C)cc1 1685830172 RPIRKTKRJJYMLD-LJQANCHMSA-N 404.511 1.370 30 10 HDEE CC(C)(C)OC(=O)NCc1cc(O)nc(CNC(=O)NCC#C[C@@H]2CCCCO2)n1 1687122911 IROFVYMUEMLIRZ-HNNXBMFYSA-N 419.482 1.579 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1CCN1CCOC(C)(C)C1 1689868324 CRGWAMSQOPZUGH-BZSNNMDCSA-N 405.543 1.571 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC2(CCC2)C1 1689930353 QBQAJURRPVDGEH-MRXNPFEDSA-N 407.540 1.405 30 10 HDEE C#CCN(C)c1nnc(-c2nnc(O)c3ccccc23)n1CCN1CCOC[C@@H]1C 1689961331 TYSBDPBUGMOKTC-HNNXBMFYSA-N 407.478 1.384 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OC)cc2)CC1 1690108964 AYKSKQZOWKCFSO-UHFFFAOYSA-N 408.506 1.326 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1C[C@@]1(O)CCS(=O)(=O)C1 1690268780 YHCZBWWNXDORFV-IBGZPJMESA-N 405.524 1.216 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2ccc(C#N)cc2)n1CCCn1cnnn1 1692498227 AHKDXUBSBKXCRW-UHFFFAOYSA-N 408.470 1.001 30 10 HDEE CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3F)n2Cc2ccc(C#N)o2)CCO1 1696969228 YCYUKIHHHXKVTG-SFHVURJKSA-N 424.436 1.472 30 10 HDEE N#C[C@]1(F)CCN(c2nnc(Cc3ccccn3)n2C[C@@H]2CCCS(=O)(=O)C2)C1 1698485773 CDPDSEGKDDRBDH-HNAYVOBHSA-N 418.498 1.531 30 10 HDEE C#CCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(Cc2csc(C)n2)CC1 1705534022 WTWCNEBZYQRQJS-QGZVFWFLSA-N 413.551 1.730 30 10 HDEE C#CCN(C)c1nnc(CSc2ccc(C)cc2)n1CCS(=O)(=O)N(C)C 1705558442 WOYUCRLOBSDOEN-UHFFFAOYSA-N 407.565 1.840 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CC[C@@H](OC)C(F)(F)F 1705600717 JVDOZNHGBWKVID-OAHLLOKOSA-N 411.428 1.831 30 10 HDEE C#CCN(CC)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1CCCCS1(=O)=O 1705603091 NCVHUWLTRNCRDR-OAHLLOKOSA-N 416.507 1.352 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCc1cccs1 1705628519 JQKSDWWVNIDPIH-OAHLLOKOSA-N 408.549 1.570 30 10 HDEE C#CCSCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@H](OC)C1 1705656044 PLVKXUAYKGRHIP-KRWDZBQOSA-N 410.507 1.512 30 10 HDEE C#CCSCCn1c(-c2cccn2C)nnc1N1CC[C@@H](S(=O)(=O)NCC)C1 1705657815 RWOXECXHRSFEOH-OAHLLOKOSA-N 422.580 1.168 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@](C)(OC)C1 1705830896 XRJBGGOBVCBCPK-LPHOPBHVSA-N 412.556 1.778 30 10 HDEE C=CCN(CC=C)c1nnc(C(=O)NC(C)C)n1CC1(S(C)(=O)=O)CCCC1 1705869422 UYQMLBYJQYRFBI-UHFFFAOYSA-N 409.556 1.952 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CC[C@H](CO)O2)[C@@H](C)C1 1705988468 WFWOXQUCNNYQSI-RYGJVYDSSA-N 424.505 1.414 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC[C@H]1COCCO1 1706585203 CPABSFJEQJQFPY-SFHVURJKSA-N 412.494 1.730 30 10 HDEE CCCN(CC)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCO[C@H](C#N)C1 1709720644 CYQJBIDCSLTQSK-KSZLIROESA-N 406.531 1.463 30 10 HDEE CNC(=O)[C@H]1CN(c2nnc(-c3cccc(C#N)c3)n2CC[C@@H]2CCOC2)CCO1 1711362780 FWUCRGGGODTVGL-CRAIPNDOSA-N 410.478 1.195 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CC2CCS(=O)(=O)CC2)C1 1712876690 SQMHRONUJVSPMJ-CRAIPNDOSA-N 411.503 1.439 30 10 HDEE C#CCN(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CCn1cc(C)cn1 1722353576 XPSQLPTVITTXKP-UHFFFAOYSA-N 405.510 1.727 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCc1nccs1 1722389408 GLUMVPVAUSLICH-OAHLLOKOSA-N 420.564 1.441 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1OCCC1(C)C 1722466864 HIHONBIIQKLRKB-YZVOILCLSA-N 409.556 1.696 30 10 HDEE C=C(C)CN(CC)c1nnc([C@]2(OCC)CCOC2)n1Cc1cn(C2COC2)nn1 1722505851 PMMNNZFSFIJSEJ-FQEVSTJZSA-N 417.514 1.544 30 10 HDEE C=CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](c2noc(C(C)C)n2)C1 1722685824 OMDKXJVSRPDUJT-ZIAGYGMSSA-N 422.511 1.451 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC=C(COC)CC1 1722724929 AWAYBLVDSXABPD-UHFFFAOYSA-N 405.524 1.667 30 10 HDEE COC[C@H](F)Cn1c(-c2cccnc2)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1730481588 AVOGWLYFVFTYRF-GOSISDBHSA-N 422.468 1.918 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCS(=O)(=O)CC3)n2CC2(O)CCCC2)cc1 1731184210 DCXBABGJHXCZCP-UHFFFAOYSA-N 401.492 1.357 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1CCC(=O)NCc1ccccc1 1740531277 ITVWXILVXPUVGZ-QGZVFWFLSA-N 408.506 1.679 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COCC2 1740532524 HLINLPOKLGLMCA-CABCVRRESA-N 417.535 1.467 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](COC)OC 1740548287 AGXUUNGRMZXPEC-AEFFLSMTSA-N 413.526 1.571 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccnc(OCC2CC2)c1 1740610265 VLFZXOKWFHPAMI-KRWDZBQOSA-N 415.519 1.482 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2F)n1CCNC(=O)c1cc[nH]n1 1740641014 BYIZHMWXLQQIJX-UHFFFAOYSA-N 405.437 1.234 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(CC)nnc1N1CCN(CC(=O)NC(C)C)CC1 1740761497 XDZSGXWVAFMZPD-YLJYHZDGSA-N 404.559 1.468 30 10 HDEE C=CC1CCN(c2nnc(Cc3ccncc3)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 1740841290 VAOOODBPDXGUPQ-HXUWFJFHSA-N 417.535 1.216 30 10 HDEE C=CCCCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1740879829 RIKQKRSHAWTWFG-MRXNPFEDSA-N 401.515 1.407 30 10 HDEE C=CCNC(=O)Cn1c(-c2nnc(O)c3ccccc23)nnc1N(C)[C@H](C)CC#N 1740959233 OIFYELCUZKNKFC-CYBMUJFWSA-N 406.450 1.634 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1 1740959787 DYTRIXRCCALLOI-HOTGVXAUSA-N 418.542 1.215 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1CC[C@H]1CCOC1)[C@H]1CCS(=O)(=O)C1 1748811853 MOKJJDQTQOPSHJ-WMZOPIPTSA-N 415.519 1.393 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1CCCOCC)[C@@H]1CCS(=O)(=O)C1 1748815290 OGEVVYGWYBUYCX-SJORKVTESA-N 410.540 1.573 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C(C)C)N1CCCC1 1748826474 UHGFKFFVEVCVCH-ZWKOTPCHSA-N 420.583 1.082 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1C[C@H](C)N1CCC[C@H](C)C1 1748947923 AGKJZYCFNWQIJJ-OALUTQOASA-N 416.570 1.721 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCO[C@H](COC(C)C)C1 1749226043 MTXORHNXCBONBY-IRXDYDNUSA-N 407.515 1.452 30 10 HDEE COCC[C@H]1CCN(c2nnc(COc3ccc(C#N)cc3)n2Cc2ncn(C)n2)C1 1749642867 FABWPBJVGLJXEZ-QGZVFWFLSA-N 422.493 1.768 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CCN2CCOC[C@H]2C)C1 1749714437 JYFFEGYIUQVXGW-UYAOXDASSA-N 412.538 1.766 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N1CCC(COC)CC1 1749732581 ZKLUAWITONNTRM-KRWDZBQOSA-N 412.556 1.983 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@](F)(C#N)C2)n1Cc1cnccc1OC 1750139566 OFDLGHQXRDRQPR-VHFSOBRXSA-N 416.457 1.896 30 10 HDEE CC(C)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[C@@](F)(C#N)C1 1750811149 VCCNWLNWCXVUFB-MAUKXSAKSA-N 413.519 1.685 30 10 HDEE Cc1nc(Cc2nnc(N3CCC(C#N)CC3)n2C[C@H]2CCS(=O)(=O)C2)cs1 1751772935 LOAKCTKCNYJXLU-OAHLLOKOSA-N 420.564 1.809 30 10 HDEE C[C@@H]1CCCN(c2nnc([C@H]3CCCOC3)n2CCN/C(O)=C2\N=CC=CC2=O)C1 1752160743 DRVIAQBOVUHGJD-FTFAEBDGSA-N 414.510 1.935 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CCc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1760120153 ISASKRXTOVIYDP-SJLPKXTDSA-N 416.547 1.965 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)Oc1ccccc1F 1760173614 AFDRYRSJTCFFNG-CABCVRRESA-N 406.483 1.856 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2ccccc2)n1C[C@@H]1CC(=O)N(CCOC)C1 1760214210 FVNQQZQCQLLBQK-LJQANCHMSA-N 405.502 1.903 30 10 HDEE C#CCN(CCOC)c1nnc(C(=O)N2CCCC2)n1CC1(OCC)CCCC1 1760243786 SQKLXLNFPYXZAU-UHFFFAOYSA-N 403.527 1.949 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C(C)(C)O)c2)CC1 1760258516 YWEPDSRBTJKYMQ-UHFFFAOYSA-N 419.533 1.710 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(OC)cc3)n2C[C@H](C)COC)CC1 1760264953 ZTDLCGKRKNIFMB-SFHVURJKSA-N 413.522 1.903 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)OC)[C@@H](C)C1 1760272183 BEXGAOFGXVLIIK-AWEZNQCLSA-N 408.528 1.060 30 10 HDEE C=CCNC(=O)Cn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H](OC)C1 1760526369 MBTULOWYVNQALO-CQSZACIVSA-N 418.523 1.187 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H]2CCCCS2(=O)=O)C1 1760542396 LXQCSSALNFPUTG-BBWFWOEESA-N 410.540 1.531 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccnc2)nnc1N(C)C[C@@H]1CCCOC1 1760552139 DEPRXGWWYILXTD-INIZCTEOSA-N 405.524 1.804 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCN(CC(=O)NC(C)C)CC1 1760565808 FMXULRVURYJBKE-KRWDZBQOSA-N 422.599 1.348 30 10 HDEE CN(CCC1CC1)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767300594 DZNFAMNWTJJDAN-UHFFFAOYSA-N 424.505 1.824 30 10 HDEE CO[C@](C)(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1)C1CC1 1769540258 HXYPGDPSJRXIGK-HNAYVOBHSA-N 407.540 1.735 30 10 HDEE Cc1ccc(C)c(S(=O)(=O)N[C@@H](C(=O)N2CCN(CCC#N)CC2)C(C)C)c1 1850894490 CIUZHVBTFBQSPP-LJQANCHMSA-N 406.552 1.664 30 10 HDEE Cc1noc(-c2ccc(N3CCC[C@H](C(=O)NCC#CCN4CCCC4)C3)nc2)n1 1851103949 WWKNKBOEXBGUFN-IBGZPJMESA-N 408.506 1.872 30 10 HDEE CCN(CC)CC#CCNC(=O)[C@@H]1CN(S(C)(=O)=O)c2cc(Cl)ccc2O1 1852655052 GSQUNSXAKUHQDI-KRWDZBQOSA-N 413.927 1.328 30 10 HDEE N#CC1CCN(C[C@@H]2CCC(=O)N(C(=O)C3CN(c4ncc(F)cn4)C3)C2)CC1 1853687363 LXDFBOZCBHKGPM-HNNXBMFYSA-N 400.458 1.053 30 10 HDEE N#Cc1ccc(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2=O)cc1 1853981484 NAWBWQZMTWMCNO-UHFFFAOYSA-N 419.409 1.439 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](N3CCN(C(=O)Cn4cccc4)C(=O)C3)C2)c(F)c1 1854196001 MISLCQHPKPICAD-LJQANCHMSA-N 409.465 1.444 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cncc(Cl)c2)C1=O 1854224926 PTARCDUHIGPWQU-IRXDYDNUSA-N 404.898 1.975 30 10 HDEE C=CCN([C@@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)c2cc3ccc(OC)cc3[nH]2)C1=O 1854330831 QHNBNOVIFRJECN-RTBURBONSA-N 410.474 1.636 30 10 HDEE C[C@H]1C(=O)N(C(=O)c2ccc(N(C)C)nc2)CCN1CC(=O)c1ccc(C#N)cc1 1855122536 RVZWWBVMJXQGNH-HNNXBMFYSA-N 405.458 1.575 30 10 HDEE CN1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C(=O)CC#N)CC1 1855143062 XMNFNLYFARNZSJ-UHFFFAOYSA-N 404.492 1.121 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](CN3CCN(CCn4cccn4)CC3)CC2=O)c1 1855335590 OMUTVGJHXOQBJS-LJQANCHMSA-N 406.490 1.061 30 10 HDEE C=CCCC(=O)N1CCC[C@@H](N2CCCN(C3CCS(=O)(=O)CC3)CC2)C1=O 1855690003 RPHAEAABZBJGDS-GOSISDBHSA-N 411.568 1.055 30 10 HDEE N#Cc1cccnc1N1CCN(C[C@@H]2CC(=O)N(C(=O)c3ccncc3F)C2)CC1 1855838205 KPMJONCKUVIUGL-HNNXBMFYSA-N 408.437 1.298 30 10 HDEE C[C@@H]1CCN([C@H]2CCCN(C(=O)Cc3ccc(C#N)cc3)C2=O)CCS1(=O)=O 1855955221 BQVMTFZHJFNJPK-QAPCUYQASA-N 403.504 1.127 30 10 HDEE CCC[C@@H](F)C(=O)N1C[C@@H](CN2CCC(C(=O)N3CCC(C#N)CC3)CC2)CC1=O 1857126529 ZZXMPZFZNROCQH-IEBWSBKVSA-N 420.529 1.974 30 10 HDEE N#CCC1CCN(C[C@H]2CC(=O)N(C(=O)c3cccnc3O[C@@H]3CCOC3)C2)CC1 1857205490 JUJOVMGSJLREPS-QZTJIDSGSA-N 412.490 1.864 30 10 HDEE CN1CCN(CCOc2ccc(NS(=O)(=O)c3ccccc3C#N)cc2)CC1 1858025475 LGZPYIWHXDOWRY-UHFFFAOYSA-N 400.504 1.985 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1 1859011611 MSSCYYDHLCSCGI-UHFFFAOYSA-N 422.409 1.985 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc3c(c2)OCO3)c(=O)cc1CN(C)CCO 1870434567 SFBPUTSFNGCWEA-UHFFFAOYSA-N 415.446 1.205 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NC[C@H]2CCCO2)cn1C[C@H](C)O 1870543543 ACGRPDMDZOAUTO-PKOBYXMFSA-N 419.522 1.077 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCc3nc[nH]c3[C@H]2c2cc(OC)cc(OC)c2)CC1=O 1872972357 SYNBBTOTDZFSAN-QVKFZJNVSA-N 410.474 1.936 30 10 HDEE C=CCOc1ccccc1OCc1nnc(SCC(=O)OCCOCC)n1N 1874554807 URCCVOMGCCYGMB-UHFFFAOYSA-N 408.480 1.808 30 10 HDEE CC(C)(C)OC(=O)N1CCN(S(=O)(=O)C2CCC(C(=O)O)CC2)[C@@H](C#N)C1 2162600588 STHDRSCMRGGRGB-MOKVOYLWSA-N 401.485 1.404 30 10 HDEE CC(C)(C#N)CS(=O)(=O)N[C@]1(C(=O)O)CC[C@H](CNC(=O)OC(C)(C)C)C1 2166296325 PMRANQPBHSYMPM-YVEFUNNKSA-N 403.501 1.604 30 10 HDEE CCS(=O)(=O)NC1CN(c2ncc(Cl)cc2B2OC(C)(C)C(C)(C)O2)C1 2172711853 QMAXSNWDJNNGDD-UHFFFAOYSA-N 401.725 1.162 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1CNS(=O)(=O)c1cccnc1C#N 2174782129 MXICSKDHICQGOW-LLVKDONJSA-N 402.423 1.876 30 10 HDEE CO[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)N(S(=O)(=O)N2CCC[C@@H](C#N)C2)C1 2174782345 PMGFSBLWOMWKDR-RRFJBIMHSA-N 402.517 1.081 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CNS(=O)(=O)N1CCC[C@@H](C#N)C1)C(F)(F)F 2174787403 TUTTZDYVQVHGDC-RYUDHWBXSA-N 414.450 1.760 30 10 HDEE CC[C@](C)(C#N)C(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174818882 FLXMQYMPSIPZLF-XGCWNURASA-N 401.533 1.865 30 10 HDEE C#CCN(C(=O)Cc1csc(NC(=O)OC(C)(C)C)n1)[C@H]1CCS(=O)(=O)C1 2180094714 JHBHNYBXNBXXDN-ZDUSSCGKSA-N 413.521 1.682 30 10 HDEE N#C[C@H]1CCN(S(=O)(=O)N2CCN(Cc3ccccc3)C[C@@H]2C(F)(F)F)C1 2186720530 JIILGHQTDIFGNP-HZPDHXFCSA-N 402.442 1.825 30 10 HDEE CC(C)(C)OC(=O)NC[C@@]12CC[C@@](C(=O)N[C@H](C(=O)O)C(C)(C)S)(CO1)C2 2195308024 MOIFLMGBRCOPQY-VQTKTOELSA-N 402.513 1.728 30 10 HDEE CCS(=O)(=O)CNC(=O)N[C@H](C)c1cscc1B1OC(C)(C)C(C)(C)O1 2233879503 OSLJBOMLTXRYCW-LLVKDONJSA-N 402.347 1.800 30 10 HDEE C[C@H](CNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)NC(=O)OC(C)(C)C 2243384567 RWFFVRNOWMDKET-GFCCVEGCSA-N 408.308 1.362 30 10 HDEE Cc1c(C(=O)N[C@H]2C[C@H]2NC(=O)OC(C)(C)C)nn(C)c1B1OC(C)(C)C(C)(C)O1 2247774220 UWUPFMFCCBLXTF-QWHCGFSZSA-N 420.319 1.423 30 10 HDEE C[C@@H](CN(C)Cc1ccccc1)NC(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2247815853 HCHCDUDDNSSLCN-HNNXBMFYSA-N 413.331 1.365 30 10 HDEE CC(C)(C)OC(=O)NC[C@H](O)CNC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1 2247856848 CDNFAFOXDHGJTC-MRXNPFEDSA-N 420.315 1.601 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248401057 FDVBDGAQGBFMJZ-SWLSCSKDSA-N 421.303 1.593 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCCC4(C3)OCCO4)s2)OC1(C)C 2255752550 JYDYQHWIEOZGPF-UHFFFAOYSA-N 415.342 1.575 30 10 HDEE Cn1nc(B2OC(C)(C)C(C)(C)O2)c(C(=O)NCc2nccn2Cc2ccccc2)n1 2255844519 XYVLQACSRZTGAP-UHFFFAOYSA-N 422.298 1.289 30 10 HDEE COC(=O)[C@H](CS(=O)(=O)Nc1sccc1C#N)NC(=O)OCc1ccccc1 2258167565 DAYFNBRZVZLJMD-AWEZNQCLSA-N 423.472 1.829 30 10 HDEE N#CC[C@@H](NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)C(F)(F)F 2258175260 LHDHLSATKYAKDT-NWDGAFQWSA-N 423.369 1.130 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N=c3cncc[nH]3)cc2Cl)OC1(C)C 2267357867 ZEFMNNNAOWNGKU-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE COCC[S@@](C)(=O)=NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2267377511 FJCCQPJNJYMRTI-XMMPIXPASA-N 409.360 1.480 30 10 HDEE COC(=O)C[C@@H](C)NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sc1C 2282316240 ZNYRDHMJZBMRRC-SNVBAGLBSA-N 403.331 1.586 30 10 HDEE Cc1cc(S(=O)(=O)N(C)[C@@H](C)CC(N)=O)sc1B1OC(C)(C)C(C)(C)O1 2282321431 XCJQSBIZTBYGMC-NSHDSACASA-N 402.347 1.240 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N(CCN)C2CCCC2)OC1(C)C 2282338719 PPTMKCXAUGGLSX-UHFFFAOYSA-N 400.375 1.939 30 10 HDEE CO[C@@H]1C[C@@H](CF)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2282343919 IMDBBHDRVGNLML-QWHCGFSZSA-N 405.322 1.795 30 10 HDEE CCCN1CCN(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)CC1 2282422770 GDRPNHQAOCDJQF-UHFFFAOYSA-N 400.375 1.764 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CNC[C@@H](F)C2)OC1(C)C 2282499122 AJSBYYNDGNVADC-QWHCGFSZSA-N 404.338 1.167 30 10 HDEE CO[C@@H](C)CCN(C)S(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282505387 CLDJZQGNXYMXCT-LBPRGKRZSA-N 404.363 1.629 30 10 HDEE CC(C)(CNC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)sn1)CS(C)(=O)=O 2282609858 NVAJBADOZJVCLE-UHFFFAOYSA-N 402.347 1.243 30 10 HDEE COCCNCCNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282825009 GIBDFDRXMXLCOY-UHFFFAOYSA-N 424.781 1.215 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N1CCN(C)[C@@H](C)C1 2282829201 BDXYASRCLGAWFR-LBPRGKRZSA-N 400.375 1.680 30 10 HDEE Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2N)sc1B1OC(C)(C)C(C)(C)O1 2282833769 JXJNKKIZEFTZHX-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2CC[C@H]2CN)OC1(C)C 2282837150 SCUMIZVLHBCCIL-SMDDNHRTSA-N 400.737 1.655 30 10 HDEE CC[C@H](O)CN(CC)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282844029 WTXRVKYORWZQBU-AWEZNQCLSA-N 403.375 1.970 30 10 HDEE CN1CC(CCNS(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282845248 PJXIJCIRFLHFJC-UHFFFAOYSA-N 400.375 1.418 30 10 HDEE CSC1CC(N(C)S(=O)(=O)c2c(B3OC(C)(C)C(C)(C)O3)cnn2C)C1 2282848195 KKUPFCHGJXOOCF-UHFFFAOYSA-N 401.363 1.234 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NC[C@](C)(N)C3CCC3)c2)OC1(C)C 2282862638 GFGABOLTNZUEBK-KRWDZBQOSA-N 400.375 1.843 30 10 HDEE CN(C)[S@@](C)(=O)=NS(=O)(=O)Cc1ccccc1B1OC(C)(C)C(C)(C)O1 2282871677 KOGMFTVKFJQSRC-VWLOTQADSA-N 402.347 1.390 30 10 HDEE C[C@H]1CC[C@H](C2OCCO2)N(C(=O)c2nccnc2B2OC(C)(C)C(C)(C)O2)C1 2283073224 ZLMBZUJTRULJHR-UONOGXRCSA-N 403.288 1.389 30 10 HDEE CC[C@@H](NS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1Cl)C(=O)O 2284399706 NLNWMRILVQFULE-GFCCVEGCSA-N 403.693 1.781 30 10 HDEE CC(C)[C@@H](C(=O)O)N(C)S(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2284402143 GOJMRZNHALMWGV-LBPRGKRZSA-N 403.331 1.777 30 10 HDEE CCOC[C@@H](NC(=O)c1scc(B2OC(C)(C)C(C)(C)O2)c1Cl)C(=O)O 2284469381 LZUGDLITEQNNFJ-SNVBAGLBSA-N 403.693 1.920 30 10 HDEE CC(=O)NCc1nnc(SCC(=O)NCc2ccco2)n1N=Cc1ccccn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c1ccc(I)cn1)C(C)=O 4051417 NKSKZUDKZMSIDG-YFHOEESVSA-N 403.176 1.844 30 10 HDEE C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)Nc1sccc1C#N 7734454 ZVLULRBAKXHFNA-JTQLQIEISA-N 411.436 1.608 30 10 HDEE Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N[C@H]1CCS(=O)(=O)C1 7936214 KUEBTBNJDJULKE-STQMWFEESA-N 405.432 1.099 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)CC1 65539919 AYQZHPJRHYCAAD-UHFFFAOYSA-N 407.518 1.729 30 10 HDEE C[C@H](C(=O)NCc1noc(-c2cccc(Br)c2)n1)n1cnc(C#N)n1 410015372 ZAYRIEMHKYSLTF-SECBINFHSA-N 402.212 1.840 30 10 HDEE C=C(C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2cccc(O)c2)C1 460801668 IRQDZNQZXCYATG-YOEHRIQHSA-N 421.523 1.748 30 10 HDEE N#Cc1ccc(OCCNC(=O)N[C@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 466029682 JQAVVYNTMULFDN-SFHVURJKSA-N 408.458 1.916 30 10 HDEE CC(C)N1[C@H]2CC[C@@H]1CCN(C(=O)[C@@H](C)NS(=O)(=O)c1cccc(C#N)c1)C2 482512743 POMYUUHNZQJRDW-NXHRZFHOSA-N 404.536 1.699 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)CCc3nc(-c4ccncc4)no3)C2=O)cc1 485993014 IVTDMIOEPUPKTN-SFHVURJKSA-N 416.441 1.853 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCCc2csc(-c3ccccc3)n2)CC1 486329761 ZTFXYIQDBGQGMT-UHFFFAOYSA-N 413.547 1.982 30 10 HDEE COC(=O)[C@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2[C@H]1CCCN(c2ccc(C#N)cc2)C1=O 492826386 DPSGHLWILQJUBZ-FQBWVUSXSA-N 411.458 1.479 30 10 HDEE N#CCC(=O)N1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCCC2)CC1 503617503 XFAHPRYTHXEGOP-UHFFFAOYSA-N 410.521 1.121 30 10 HDEE COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H]2CC[C@H]1N2C(=O)c1cc(C)n(-c2cccc(C#N)c2)n1 503629049 AYAGVFCQVOEJCZ-YRXWBPOGSA-N 422.441 1.618 30 10 HDEE Cn1c(=O)c2cc(C(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)cnc2n(C)c1=O 504721758 RCUHMRHPYIMOHF-UHFFFAOYSA-N 419.441 1.187 30 10 HDEE C[C@H](C(=O)Nc1ccc(NC(=O)C(=O)N2CCC(C)(C#N)CC2)cc1)n1cncn1 505037857 GFXOGJTYZHYJRH-CQSZACIVSA-N 409.450 1.569 30 10 HDEE CN1C(=O)C[C@H](C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H]1c1cccnc1 510098900 IWBSEZVNEDEWPX-RZUBCFFCSA-N 403.486 1.838 30 10 HDEE CS(=O)(=O)N1CCCC[C@@H]1CNCc1cn(CCC#N)nc1-c1ccncc1 512973182 ZTBIXJCLNKVPFH-GOSISDBHSA-N 402.524 1.762 30 10 HDEE CNC(=O)C(C#N)=c1sc(=Cc2cc(C#N)cs2)c(=O)n1Cc1ccccc1 531131409 KOYFVWPZRAYSLJ-UHFFFAOYSA-N 406.492 1.140 30 10 HDEE N#C[C@@H](c1ccc(Br)cc1)N1CCN(C(=O)[C@H](O)C2CCOCC2)CC1 536608935 QYICRYRKMQCVQH-ZWKOTPCHSA-N 422.323 1.945 30 10 HDEE N#Cc1cccc(N2CCN(c3ccc(S(N)(=O)=O)cc3C(F)(F)F)CC2)n1 546184918 KPNLOAXUVYYYTB-UHFFFAOYSA-N 411.409 1.946 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCC(=O)Nc2cc(-c3ccccc3F)on2)cc1 558568814 BJMQNMRGHPLQEY-UHFFFAOYSA-N 400.391 2.269 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)N[C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 561598931 KFMJNJPULTUAQD-INIZCTEOSA-N 404.511 1.264 30 10 HDEE COc1cc(F)c(F)cc1NC(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C 573411377 HILMUYJRMNQQCS-NSHDSACASA-N 416.388 1.311 30 10 HDEE N#Cc1ccc(CNC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3F)C2)c(F)c1 586860401 DKFVKWCBRRFXPR-OAHLLOKOSA-N 402.376 1.987 30 10 HDEE COCCNC(=O)C(C#N)=c1sc(=Cc2ccc(C)o2)c(=O)n1-c1ccccc1C 603800818 WVKFZTXULDLPPP-UHFFFAOYSA-N 423.494 1.375 30 10 HDEE N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCC(OCCCO)CC3)C2=O)cc1 617057400 QONDVEDWZCBEEZ-LJQANCHMSA-N 400.479 1.232 30 10 HDEE N#Cc1cc(CS(=O)(=O)c2nnc(N3CCOCC3)n2Cc2ccccc2)ccn1 618559915 AHKGUOBHZZZBBS-UHFFFAOYSA-N 424.486 1.404 30 10 HDEE C=C(C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670221414 RLXQDFCDUJSPQA-GHTZIAJQSA-N 423.565 1.829 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)C1 705679735 JXGPNKWMYWSNCM-WFASDCNBSA-N 415.899 1.718 30 10 HDEE N#CC(C(=O)NC1CC1)=c1sc(=Cc2ccoc2)c(=O)n1-c1ccccc1C#N 727417463 FYASRQQHMMDIOZ-UHFFFAOYSA-N 402.435 1.145 30 10 HDEE N#CCCN(CCC#N)C(=O)COC(=O)[C@@H]1CSCN1C(=O)c1ccccc1 730296619 BYYGMYKFHHSXCG-INIZCTEOSA-N 400.460 1.401 30 10 HDEE C#CCN(C(=O)[C@H](C)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C1 732062062 OVWJZHAXBHGJDC-GHTZIAJQSA-N 402.560 1.979 30 10 HDEE CC1CCN(S(=O)(=O)c2ccc(C(=O)N3CCN(C4CC4)[C@H](C#N)C3)s2)CC1 732647687 HVKWATXNKBWJIL-MRXNPFEDSA-N 422.576 1.981 30 10 HDEE N#C[C@H](C(=O)CSc1cccc(C(F)(F)F)c1)C(=O)N1CCS(=O)(=O)CC1 732908750 QLDMPFPNHSDOOS-CYBMUJFWSA-N 420.434 1.763 30 10 HDEE C#CCCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 733672977 JEVZIFKJMIWBBW-FPXQBCRKSA-N 417.531 1.868 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)Nc2cnn(-c3ncccn3)c2)ccc1F 737725471 WNTCACCNUKIOIB-UHFFFAOYSA-N 402.411 1.518 30 10 HDEE C#CCn1c(=C(C#N)C(=O)NCCCC)sc(=Cc2cncc3ccccc23)c1=O 758056547 WLXSUQLYRJXHIC-UHFFFAOYSA-N 416.506 1.511 30 10 HDEE N#CC(C#N)=c1sc(=Cc2cccc(Cl)c2F)c(=O)n1CCN1CCOCC1 759691711 LQUNPRAGPUDADK-UHFFFAOYSA-N 418.881 1.061 30 10 HDEE C#CCN(C(=O)N[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C)[C@H]1CCS(=O)(=O)C1 764539944 QQZPKUKMNKMQAL-OWCLPIDISA-N 413.540 1.464 30 10 HDEE CCOC(=O)CON=C(C(=O)N(C)[C@@H](C)[C@@H]1Cc2ccccc2O1)c1cc[nH]n1 772439814 XSOYXKXHOJPGPX-GUYCJALGSA-N 400.435 1.544 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)OC)ccc1F 787355365 VDQCMLUSENJRDI-JJRVBVJISA-N 410.467 1.704 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(NN=C3CCCC4=C3CCC(=O)N4)nc2)CC1 788015318 UHXAYXCMIAQQGR-UHFFFAOYSA-N 418.523 1.134 30 10 HDEE Cc1cnn(C)c1C=Nn1c(-c2cnn(C)n2)csc1=NCCc1ccccn1 794852048 KQVSIDZYFMUWMG-UHFFFAOYSA-N 407.507 1.808 30 10 HDEE CCS(=O)(=O)NCCc1ccc(S(=O)(=O)Oc2cccnc2C#N)s1 795285765 ZBKVJQSQMDOQGH-UHFFFAOYSA-N 401.491 1.264 30 10 HDEE C=CCS(=O)(=O)CCN[C@H](C)c1ccc(Br)c(S(N)(=O)=O)c1 797584143 KMNUYOYJZBTHLL-SNVBAGLBSA-N 411.343 1.348 30 10 HDEE COc1c(C)c2c(c(O)c1C/C=C(/C)CCC(=O)NCC(=O)NCC#N)C(=O)OC2 804819996 VRMCPIDRIUUTBF-QCDXTXTGSA-N 415.446 1.405 30 10 HDEE Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@@H](C)[C@H](O)c1ccccc1 808948579 ARGKLGGLKRCCDL-KSSFIOAISA-N 404.430 1.624 30 10 HDEE Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)N1CCN([C@H]2CC[C@H](C#N)C2)CC1 815064100 ANZVDOKUHRTFEH-HOTGVXAUSA-N 411.549 1.397 30 10 HDEE CC(C)(C)OC(=O)N1CC2(CN(C(=O)CNC(=O)c3ccc(C#N)cc3)CCO2)C1 817502688 UJRGUBZDUXGWRP-UHFFFAOYSA-N 414.462 1.136 30 10 HDEE C=CCn1cc(C=NNc2nnc(SCC(=O)Nc3nc(C)cs3)n2N)cn1 1084413524 SWJRMZFPBYYHJI-UHFFFAOYSA-N 418.512 1.316 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)CCc2ccc(S(C)(=O)=O)cc2)n1 1128673299 UOIGSGKMSPEUNI-UHFFFAOYSA-N 403.504 1.528 30 10 HDEE C=C(Cl)C[C@@H](NC(=O)c1cc(I)nn1C)C(=O)OCC 1132192446 HLBZLYADUYEILF-MRVPVSSYSA-N 411.627 1.829 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)c1ccc(S(=O)(=O)N3CCOCC3)o1)C2 1132853277 PXBJIMGIEFTACT-MRXNPFEDSA-N 401.444 1.069 30 10 HDEE C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N(CCN(C)C)Cc1ccsc1 1141973446 GWCCNXBJLLIDDV-OAHLLOKOSA-N 420.560 1.877 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)NC[C@@H](O)COCC2CC2)C1 1150176954 SWRJKWCWOJEHIC-MRXNPFEDSA-N 408.296 1.661 30 10 HDEE COC[C@@]1(C(=O)OC(C)(C)C)CCN(C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 1170911648 CAFRCYGYJMNYPE-UAMJFUFUSA-N 407.467 1.110 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N(C)Cc2nnc3n2CCN(C)C3=O)cc1OC 1177894669 TWBNBGUJEOZYHI-CLFYSBASSA-N 411.462 1.609 30 10 HDEE CCO[C@]12CCC[C@@]1(NC(=O)[C@H](C)NS(=O)(=O)c1cccc(C#N)c1)CCO2 1180090182 ZYAGHJJZWWZXSE-KYNGSXCRSA-N 407.492 1.417 30 10 HDEE C=CCC[C@H](CO)NS(=O)(=O)c1ccc(S(=O)(=O)NCC(F)(F)F)cc1 1190266048 ZVDVCSYUXYHZBM-LLVKDONJSA-N 416.443 1.133 30 10 HDEE N#Cc1ccc(S(=O)(=O)NCCN2C[C@@H]3CC[C@H](C2)O3)cc1Br 1190381829 DMJBIRSDZTVLBX-BETUJISGSA-N 400.298 1.462 30 10 HDEE C[C@@H](C#N)N(C1CC1)S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Br 1192254002 BCSVHHRYAHDUBB-VIFPVBQESA-N 407.311 1.918 30 10 HDEE CCNC(=O)C(C)(C)CNC(=O)Nc1c(C#N)cn(CCOC)c1C(=O)OCC 1203097055 GKHMXRASZKLFFI-UHFFFAOYSA-N 407.471 1.467 30 10 HDEE COCc1ccc(C(=O)OC)cc1S(=O)(=O)N1CC(Oc2ccc(C#N)cc2)C1 1211464057 HDAKJZZTXLXVOG-UHFFFAOYSA-N 416.455 1.943 30 10 HDEE C#CC[C@@H](CO)NC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1OC 1214395994 IKHKASHEPUKCSR-HNNXBMFYSA-N 409.508 1.766 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1286405707 HMQWKPRKCIZTSX-MRXNPFEDSA-N 415.494 1.581 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cnn(C)c1C 1286409754 OUSDQUYFNVYYBH-FQEVSTJZSA-N 402.458 1.954 30 10 HDEE C#CCN1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CC[C@@](C)(CC)O2)CC1 1286483403 JQTZMUUUSAVZBT-XMSQKQJNSA-N 414.554 1.503 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CCN(c2ccc(C)cc2)CC1 1286788362 VIJQBJFTALRMLG-SFHVURJKSA-N 410.522 1.719 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccccc2F)nnc1N1CCN(CCOC)CC1 1286789353 RBZIMAOITHHMHD-UHFFFAOYSA-N 416.501 1.079 30 10 HDEE CCN1CCN([C@@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCC(CC#N)CC2)CC1 1296130333 FAHVYHUPEKXAQU-ICSRJNTNSA-N 415.586 1.938 30 10 HDEE CN(C)CCOCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCO[C@H](C#N)C1 1298097550 VPEQFZXHNOXVFE-MRXNPFEDSA-N 409.494 1.733 30 10 HDEE Cn1cc(C[C@@H](CO)NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)cn1 1299614132 JNKHTMNEHKXJMZ-INIZCTEOSA-N 418.295 1.210 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(C2CC2)CCC1 1300465298 LHXCSNOUFKWMHI-INIZCTEOSA-N 407.540 1.261 30 10 HDEE C#CCN(CCOC)c1nnc(COc2ccc(C#N)cc2)n1C[C@H]1CCC(=O)N1 1300675799 VVCQZYBNCWXWCB-QGZVFWFLSA-N 408.462 1.093 30 10 HDEE C=C(Br)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](OC)C1 1300830362 FZACRJZDFDCPMK-MNOVXSKESA-N 408.322 1.022 30 10 HDEE C=CCN(c1nnc([C@@H](C)NS(C)(=O)=O)n1CCc1c(C)noc1C)C1CC1 1301314632 YVCYOIFUFFSUQW-CYBMUJFWSA-N 408.528 1.891 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC[C@@]2(C)C(=O)OCC)s1 1301419570 GFXSNLWSLOUHBX-RDTXWAMCSA-N 414.549 1.993 30 10 HDEE C=CCn1c(-c2cnccn2)nnc1N1C[C@@H](N2CCCN(C(C)=O)CC2)[C@H](C)C1 1301450067 MWMKMZMIGQQVSY-VQIMIIECSA-N 410.526 1.300 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccn2C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1 1301490532 ADRXCTZMELNDAW-HNNXBMFYSA-N 411.510 1.081 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCC[C@@H](CNC(=O)C(C)(C)C)C1 1301499141 YMEHXFDGXLZAPK-HNNXBMFYSA-N 402.543 1.836 30 10 HDEE C=CCNC(=O)Cn1c(N2CCN(CC(C)C)CC2)nnc1[C@]1(OCC)CCOC1 1301517669 AOWJCZYWJNLWCQ-NRFANRHFSA-N 420.558 1.010 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCOC3)n2CC2CCS(=O)(=O)CC2)C1 1301556334 HDNXIQCBBKMHJZ-DLBZAZTESA-N 410.540 1.388 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 1301611649 FQQCZIXXRSAMIS-CABCVRRESA-N 420.539 1.174 30 10 HDEE CSC1(Cn2c(N3CCO[C@H](C#N)C3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 1302634734 OQGGKHJCCOWHJR-DNVCBOLYSA-N 407.540 1.943 30 10 HDEE CC(C)c1nnc(N2CCN3CCCC[C@H]3C2)n1CCN/C(O)=C1\N=CC=CC1=O 1302699813 HYIGICIKBQRWSX-RJCBAWPRSA-N 413.526 1.602 30 10 HDEE C[C@]1(C#N)CCCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCS(=O)(=O)C2)C1 1303932859 AWOYGHCTJCHJNO-UXHICEINSA-N 415.519 1.625 30 10 HDEE C[C@@]1(C(N)=O)CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@H]2CCOC2)C1 1303946840 HRIITUUEOIEQJR-PGRDOPGGSA-N 424.505 1.714 30 10 HDEE COC(=O)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)CC1CCCC1 1304803660 ZJTJTRZFJPOOKF-QGZVFWFLSA-N 421.519 1.978 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2cncc(OCC(F)(F)F)n2)c1 1306872924 CGTYXBDGVKOXCL-UHFFFAOYSA-N 414.365 1.582 30 10 HDEE COCCOC[C@H](O)CN1CCN([C@@H](C#N)c2ccc(Br)cc2)CC1 1307653547 HJHZPVGHOMWBPP-MSOLQXFVSA-N 412.328 1.655 30 10 HDEE C#CCN(C)CCCNS(=O)(=O)N=[S@](C)(=O)c1cccc(Br)c1 1309543853 RKQHGQYFSYNYIK-JOCHJYFZSA-N 422.370 1.695 30 10 HDEE COc1ccc(C)cc1CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1 1315373808 GEJDUMVMBKSTMO-QGZVFWFLSA-N 412.494 1.705 30 10 HDEE COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC([C@]2(C)NC(=O)NC2=O)CC1 1316106540 GBYCTPPLLVBYEX-NRFANRHFSA-N 423.477 1.278 30 10 HDEE CON(C)c1nnc(COc2ccc(C#N)cc2)n1CCN1CCN(C)C(C)(C)C1 1316309658 IPHSGLPXRUHOLH-UHFFFAOYSA-N 413.526 1.752 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](c2nncn2C2CC2)C1 1327511959 CVXKLRDXQHJCFO-GJZGRUSLSA-N 417.539 1.677 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccccc1COC 1358871747 JYJBFAVMSKPODT-GJZGRUSLSA-N 405.524 1.541 30 10 HDEE C#CCCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 1358910295 KHSSETMLSGSJSB-UHFFFAOYSA-N 424.553 1.227 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN2CCOC[C@H]2C1 1358933754 DDWBDPQUHIRRMD-MRXNPFEDSA-N 414.535 1.204 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCOC2)n1CCCN1CCCO[C@H](C)C1 1359024101 FHISSMPTTIPCQG-UXHICEINSA-N 419.570 1.759 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccn3C)n2Cc2ccc(NC(C)=O)nc2)CC1 1359033783 POWFTPMFGZHZDF-UHFFFAOYSA-N 418.505 1.441 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CCn2c(O)nc3ccccc32)CC1 1359041632 CYLHBLFVQWRAFQ-UHFFFAOYSA-N 407.478 1.308 30 10 HDEE C#CCSCCn1c([C@H]2CCOC2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1359057407 YUGNOILSQUXLJE-RDJZCZTQSA-N 402.524 1.460 30 10 HDEE C=CCCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN2CCCC[C@@H]2C1 1359227450 BOVOZFUXSSDDGM-QZTJIDSGSA-N 423.583 1.447 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@H]2CCCOC2)n1Cc1nnn(C)n1 1359275486 VIMLYZKTORJDGN-SFHVURJKSA-N 408.510 1.979 30 10 HDEE C=CCN(CCOC)c1nnc(CN2CCCC2=O)n1Cc1cnn2ccccc12 1359282524 FIFJQJYCPSKZND-UHFFFAOYSA-N 409.494 1.735 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(C)o2)nnc1N1CCC(N2CCNC2=O)CC1 1359295225 UWXMHRFONHNBDB-UHFFFAOYSA-N 413.482 1.143 30 10 HDEE C=CCNC(=O)Cn1c(-c2cnn(C)c2)nnc1N(C)C1CCN(CCC)CC1 1359298056 KYCYSVCNOBGFRN-UHFFFAOYSA-N 400.531 1.291 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCC(CCC(N)=O)CC1 1359299367 CVRDLXJYTWJEGV-INIZCTEOSA-N 404.515 1.304 30 10 HDEE Cc1nnsc1Cn1c(C(=O)N2CCCC2)nnc1N(CCC#N)CC1CC1 1360950153 HVQKKYPLJOVIBQ-UHFFFAOYSA-N 400.512 1.852 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](Cc2ccccn2)NC(=O)OC(C)(C)C)C1=O 1448521624 STJKSUYOCZLLRM-SJORKVTESA-N 402.495 1.763 30 10 HDEE COCCOCCN1CCN(C(=O)[C@H]2CCN(c3ccc(C#N)cc3F)C2)CC1 1452686410 CFYPTAJANWKISP-SFHVURJKSA-N 404.486 1.331 30 10 HDEE C=CCCSCCNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1 1452986440 CRKHPBVWEZGHTR-ZBFHGGJFSA-N 418.968 1.889 30 10 HDEE C[C@H](CC(=O)NCc1c(C2CCC2)cnn1C)/N=C1/NS(=O)(=O)c2ccccc21 1453164939 QAJFCGXHDKSPSL-CYBMUJFWSA-N 415.519 1.821 30 10 HDEE CCOC(=O)c1[nH]cnc1CNC(=O)[C@H]1CC(=O)N(c2ccc(C#N)c(Cl)c2)C1 1456397170 AFLXTLHIYOTNAK-LBPRGKRZSA-N 415.837 1.781 30 10 HDEE C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)NCC1(C#N)CCOCC1 1457110064 NFNQDYBRZSBRJX-XJFOESAGSA-N 413.396 1.409 30 10 HDEE O=C(COCCc1ccc(Br)cc1)NCCN/C(O)=C1\N=CC=CC1=O 1464926105 POJMAMSUPMCTSN-ISLYRVAYSA-N 422.279 1.651 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCOC[C@H]2[C@H]2CCCC2=O)s1 1466799111 PFOHITNDTSEROF-CABCVRRESA-N 412.533 1.352 30 10 HDEE C#C[C@H](NC(=O)N(C)CCN(C)c1ccc(S(N)(=O)=O)cc1)c1ccccc1 1470663201 PSPXWCWQKMEXAN-IBGZPJMESA-N 400.504 1.786 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)NOc2cccc(C#N)c2)C1=O 1471086052 RLKAEEBSWXTRQE-OAQYLSRUSA-N 408.414 1.753 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]([C@H]1CCOC1)C(F)(F)F 1472226173 HSDQAGIFFFJTRH-VHRBIJSZSA-N 405.398 1.309 30 10 HDEE C=CCS(=O)(=O)CCNS(=O)(=O)c1c[nH]c2cc(Br)ccc12 1475128577 XALNXLJLTFRCDI-UHFFFAOYSA-N 407.311 1.810 30 10 HDEE COc1ccc(N2CC[C@H](NC(=O)N3CCN(c4c(C#N)c(C)nn4C)CC3)C2)cc1 1478956912 KEQTVLIWTJZPDV-KRWDZBQOSA-N 423.521 1.719 30 10 HDEE N#Cc1ccc2c(c1)C[C@H](NC(=O)N1CCN(S(=O)(=O)Cc3ccccc3)CC1)C2 1479160050 RNRYYTKYXZQBNS-OAQYLSRUSA-N 424.526 1.883 30 10 HDEE CO[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)CC[C@H]1C 1504510670 LZPVCCPLAFXIMA-JKIFEVAISA-N 419.507 1.554 30 10 HDEE COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(C#N)o2)CC1 1504918472 FULFYKFBVLTUFF-MRXNPFEDSA-N 400.483 1.453 30 10 HDEE C#CCN(C)c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CCCS(=O)(=O)C1 1507605452 UCOVHSWSBDVZHK-VQIMIIECSA-N 410.540 1.213 30 10 HDEE C#CCN(c1nnc(-c2cccn2C)n1C[C@H](C)SC)[C@@H]1CCS(=O)(=O)C1 1507630403 YGGCZKYBWPHLDP-LSDHHAIUSA-N 407.565 1.662 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCCCOCC)[C@H]1CCS(=O)(=O)C1 1507631961 WAYJEIMXFJNEFZ-INIZCTEOSA-N 418.523 1.179 30 10 HDEE C#CCSCCn1c(Cc2ccccn2)nnc1N1CCN(c2cnccn2)CC1 1507756956 SILAYSYPCYVITF-UHFFFAOYSA-N 420.546 1.747 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1C[C@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 1507842438 AIUZTAVHRARKIK-PXNSSMCTSA-N 416.570 1.737 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2cnn(C)c2)C1 1507843067 HDHOUSDEUQSNLD-SJORKVTESA-N 415.498 1.133 30 10 HDEE C=CCCOCCn1c(-c2ccc[nH]2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1507959588 FJPICXQAPOFRJF-MRXNPFEDSA-N 413.482 1.339 30 10 HDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN2C(=O)NC[C@@H]2C1 1508066683 CQLYQIJDOLMXLR-CABCVRRESA-N 417.514 1.750 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCCO2)nnc1N1CCO[C@H](c2nnc(C)o2)C1 1508088633 HJGRVFUPRHABRP-GJZGRUSLSA-N 417.470 1.091 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3ccccc3OC)n2CCCn2cnnn2)C1 1508111960 KWOANGKNOVIUGD-INIZCTEOSA-N 410.482 1.812 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H](C)CC)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1 1508131804 QGQHBTRGCXQYCJ-BRWVUGGUSA-N 412.556 1.777 30 10 HDEE C[C@@](O)(Cn1c(Cc2ccccn2)nnc1N1CCO[C@@H](C#N)C1)c1ccccc1 1510231846 ALLABKYJBQZWJT-SIKLNZKXSA-N 404.474 1.900 30 10 HDEE Cc1ccc(CN(C)c2nnc(-c3cccc(C#N)c3)n2CCNS(C)(=O)=O)o1 1510854863 KXJRCUBGQWXHMF-UHFFFAOYSA-N 414.491 1.904 30 10 HDEE CN(C)C(=O)CCn1c(-c2cnn(-c3ccccc3)c2)nnc1N1CCO[C@@H](C#N)C1 1516968121 GNIDKQQBSKXSRF-SFHVURJKSA-N 420.477 1.338 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(C#N)cc1 1518630567 FJDFYAKCNSQADS-CEXWTWQISA-N 424.505 1.789 30 10 HDEE Cc1nsc(N2CCN(C(=O)[C@@H]3CNC(=O)C[C@@H]3C(F)(F)F)CC2)c1C#N 1524094543 DKWSIDBDDDJNIJ-NEPJUHHUSA-N 401.414 1.286 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3(CF)CCOCC3)CC2)cc1 1526290774 YXKZDWGAEKBVHR-UHFFFAOYSA-N 423.510 1.841 30 10 HDEE CO[C@@H]1COCC[C@@H]1CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2C)c1 1527211418 KTHBDTOPLDMITD-YQHZFHNVSA-N 409.508 1.880 30 10 HDEE Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@](C)(C(=O)N(C)C)C(F)(F)F 1528148325 BXTQDIRVZKYRIW-KRWDZBQOSA-N 410.400 1.676 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc(C)n2CCN2CCOC(C)(C)C2)c1 1539040579 XZBGXRLGKFHSOK-UHFFFAOYSA-N 410.522 1.754 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCC)c(OC)c2)n1C[C@@]1(O)CCN(C)C1 1539251684 NELNTUJBTJPXNB-HSZRJFAPSA-N 423.517 1.492 30 10 HDEE C#CCN(CCOC)c1nnc(-c2noc3c2COCC3)n1CCN1CCC[C@H]1C 1539413546 MOFGIRDWFREJKU-MRXNPFEDSA-N 414.510 1.576 30 10 HDEE C#CCN1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC2(C)COC2)CC1 1539430108 GMIOFRMFWMBRHE-NRFANRHFSA-N 403.527 1.110 30 10 HDEE C#CCN1CCN(c2nnc(COc3cccc(C)c3)n2Cc2nncn2C)CC1 1539459592 LDVUTDRDNLOBNP-UHFFFAOYSA-N 406.494 1.098 30 10 HDEE C#CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@H](C(F)(F)F)C1 1539515100 XMUJCCGSBFGJNH-RWMBFGLXSA-N 417.457 1.752 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CCCCC1 1539556854 ILWLZVNXCAIYMV-VQIMIIECSA-N 406.552 1.868 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N(C)[C@@H](C)CS(C)(=O)=O 1539627185 ICAUSKGOZDYDBY-ZOBUZTSGSA-N 420.539 1.586 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCN(C(=O)N3CCCC3)CC2)c1 1539821495 WHQNQCHKIJCUKC-UHFFFAOYSA-N 408.455 1.097 30 10 HDEE CCOC(=O)C(NC(=O)C#CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)OCC 1540657478 JZSCBRVWWGIVJP-UHFFFAOYSA-N 410.467 1.248 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC3(C2)OCCO3)C1 1540882120 BZGMTDLTDGYZOH-IRXDYDNUSA-N 419.526 1.741 30 10 HDEE CC#CCS(=O)(=O)c1cccc(C(=O)N2CC[C@H](OCCN3CCCC3)C2)c1 1545534980 XWTJXTOMUKOXGS-IBGZPJMESA-N 404.532 1.811 30 10 HDEE CN(CCCS(C)(=O)=O)c1nnc([C@H]2CCCOC2)n1Cc1ccc(C#N)o1 1554287873 USNNSNJILYBYDO-AWEZNQCLSA-N 407.496 1.556 30 10 HDEE CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@@H]1NC(=O)CC1(C)C 1554382882 PCKXMXUMGCPRKE-YOEHRIQHSA-N 423.521 1.550 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3cccc(F)n3)CC2)c1 1556705844 MKWPJBQWCBVCJG-UHFFFAOYSA-N 404.467 1.647 30 10 HDEE COCCCS(=O)(=O)N1CCN(c2cc(C#N)c(Br)cn2)CC1 1559136537 VPRUVQABVOKUSC-UHFFFAOYSA-N 403.302 1.204 30 10 HDEE C#CCNS(=O)(=O)N1CCN(Cc2cc(Cl)c(C)cc2Br)CC1 1559718091 IMQDFPBRSRNFHS-UHFFFAOYSA-N 420.760 1.996 30 10 HDEE C#CCN(CC(=O)N1CCC(CNC(=O)c2ccccn2)CC1)C(=O)OC(C)(C)C 1566536848 YBMXYOQYGNPMBS-UHFFFAOYSA-N 414.506 1.920 30 10 HDEE C#CC[C@H](NC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1)C(=O)OC 1570219244 WCYPFFSBUQMAQN-SFHVURJKSA-N 416.455 1.791 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCO[C@]2(CCS(=O)(=O)C2)C1 1570697658 YCAFDNNLUXPFQX-DNVCBOLYSA-N 416.540 1.652 30 10 HDEE C#CCCCCn1c(N2CCN3CCOC[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1587793484 OBHSUWUTHZJITP-UGKGYDQZSA-N 417.554 1.643 30 10 HDEE C#CCCCn1c([C@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587809135 ZQOAOYZLFCNIPF-MSOLQXFVSA-N 423.583 1.836 30 10 HDEE C#CCN(C)c1nnc(COc2ccc(Cl)cc2)n1CCC[C@@H]1NC(=O)NC1=O 1588015639 BTEXATFLYIUPIE-HNNXBMFYSA-N 416.869 1.568 30 10 HDEE C#CCSCCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1589078693 WNZPZURZLFMZDG-HNNXBMFYSA-N 413.613 1.703 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2cccc(C#N)c2)C1 1595332913 MSPAXZNECUWCOI-MRXNPFEDSA-N 407.492 1.599 30 10 HDEE C=CCNC(=O)Cn1c(Cn2nc(C)cc2C)nnc1N(C)CCC1CCOCC1 1595569640 LWAFOFDWODSZPD-UHFFFAOYSA-N 415.542 1.695 30 10 HDEE C=CCNC(=O)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H]1Cc1ccccc1 1595569712 NLTUJKXAYGPDOB-IBGZPJMESA-N 422.533 1.914 30 10 HDEE C#CCN(C(=O)c1ccc(S(N)(=O)=O)nc1)C1CCN(C(=O)OC(C)(C)C)CC1 1596147391 SHMSOKLWVNJGAS-UHFFFAOYSA-N 422.507 1.204 30 10 HDEE CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C#N)o2)C1 1596549504 MBUDVUSIBYZNGM-YOEHRIQHSA-N 411.466 1.095 30 10 HDEE CSCC[C@H](C(=O)NCc1cncc(C#N)c1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 1596855932 MLIVUKPVCGUAMR-IXDOHACOSA-N 400.504 1.866 30 10 HDEE C=CCn1cc(CNC(=O)[C@@H](C)N2C(=O)c3ccc(Br)cc3C2=O)nn1 1598174428 HAQKCSNCVCUQOI-SNVBAGLBSA-N 418.251 1.528 30 10 HDEE N#Cc1cncnc1N1CCN(C(=O)COc2ccc(Br)cc2)CC1 1611971249 HQWDHXHGCNWJFZ-UHFFFAOYSA-N 402.252 1.838 30 10 HDEE CCCc1c(NC(=O)[C@@]2(OC)CCS(=O)(=O)C2)cnn1-c1cccc(C#N)c1 1616798135 CZODBTOVOKJRAA-LJQANCHMSA-N 402.476 1.839 30 10 HDEE COC(=O)[C@H](c1cccc(OC)c1)N(C)CCS(=O)(=O)c1ccc(C#N)cn1 1619904728 JZRKQWLZEQIVJT-SFHVURJKSA-N 403.460 1.582 30 10 HDEE COCCN(CCC#N)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CCc2nccn2C1 1619912163 TWVMETOCDHSGND-MRXNPFEDSA-N 409.498 1.504 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@@]2(C)CN(C)C2=O)C1 1620054400 JBWSEVGGDDTNHO-PGRDOPGGSA-N 424.505 1.537 30 10 HDEE O=C1C=CC=N/C1=C(\O)NCCNC(=O)c1ccccc1[S@](=O)C(F)(F)F 1628385526 AQAQCYDNNRONQG-HOQSSANKSA-N 401.366 1.570 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)NCC3(Br)CC3)C2=O)cc1 1629364095 GQEAPIAHYPKMSA-CYBMUJFWSA-N 405.252 1.807 30 10 HDEE N#Cc1cccc(C(=O)N2CCN(C(=O)N3CCOCC3)CC2)c1Br 1629384475 RMIVNDRJAXNBPT-UHFFFAOYSA-N 407.268 1.531 30 10 HDEE CC#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC1CCN(CC(=O)NCCC)CC1 1629913718 NERWCWCWGLTTGK-QGZVFWFLSA-N 408.543 1.400 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CCC(C(=O)NCCCO)CC1 1631504558 GFZMRLOTHXABAD-QGZVFWFLSA-N 424.542 1.701 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 1632829628 ADJKBGSVBNGVNQ-UHFFFAOYSA-N 404.517 1.549 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N2CCN[C@H](c3ccc(O)cc3)C2)s1 1634550834 XFANVVMZZUFPGY-KRWDZBQOSA-N 421.544 1.634 30 10 HDEE C#CCN1CCC[C@H](NC(=O)CCC(=O)N2CCc3cc(OC)c(OC)cc3C2)C1 1634555389 XATDANZWLGCSDB-IBGZPJMESA-N 413.518 1.583 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 1635346247 PYQXVHQFSODWFN-IAGOWNOFSA-N 403.504 1.031 30 10 HDEE Cc1cn(-c2c(F)cccc2F)nc1C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1635697041 FOMGJXDPXTYOCE-SGTLLEGYSA-N 406.414 1.469 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)CCN2CSCCSC2)[C@H](C#N)C1 1638203589 RYYSWJMJOSCYSG-ZIAGYGMSSA-N 400.570 1.949 30 10 HDEE COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2ccc(C)c(B3OC(C)(C)C(C)(C)O3)c2)C1 1640794150 KCSNKHYRQVRYPD-JKSUJKDBSA-N 403.284 1.290 30 10 HDEE COC[C@]1(CO)CCN(C(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 1640896092 IDGQUNOMSJUOQG-OAQYLSRUSA-N 414.462 1.880 30 10 HDEE COC(=O)[C@@H]1Cc2c(Br)cccc2CN1CC(=O)NC1(C#N)CCC1 1643223746 AKHDEXZXAQEIEJ-HNNXBMFYSA-N 406.280 1.911 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(C(=O)Cc3ccccc3F)CC2)c1 1644464576 QUCRXWDINUAYPQ-UHFFFAOYSA-N 422.460 1.842 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)N1CCC[C@H](Nc2ccc(C#N)cn2)C1 1646095177 GZSRISNSDFAJBA-AWEZNQCLSA-N 400.464 1.172 30 10 HDEE N#Cc1ccccc1OCC(=O)N1CCn2ncc(I)c2C1 1646417326 DMRUYNWDGMCBCX-UHFFFAOYSA-N 408.199 1.781 30 10 HDEE CCn1cnc2c1CCN(C(=O)CC[C@H]1NC(=O)N(c3ccc(C#N)cc3)C1=O)C2 1646444926 HDJAXBSFAOQXOL-MRXNPFEDSA-N 406.446 1.565 30 10 HDEE COC[C@H]1COCCN1CC(=O)Nc1c(C#N)c2c(n1C[C@H]1CCCO1)CCCC2 1648403929 GQAVHLMYVMSSEG-DLBZAZTESA-N 416.522 1.703 30 10 HDEE CCN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccccc2C#N)CC1 1653734077 WHOSVHANYOUKOS-OAQYLSRUSA-N 420.513 1.829 30 10 HDEE N#Cc1cc(S(=O)(=O)NC[C@@H](O)CN2CCCCC2)ccc1Br 1656009494 DJECYTBWZSIBNK-CYBMUJFWSA-N 402.314 1.446 30 10 HDEE C#C[C@H](NC(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1)C1CCOCC1 1666464356 GZKQCHNPBGKYJU-IBGZPJMESA-N 400.479 1.507 30 10 HDEE CCOC(=O)c1c(NC(=O)NC[C@H](C)CN2CCOCC2)c(C#N)cn1CCOC 1668605496 DPDNNSDLRZNESG-HNNXBMFYSA-N 421.498 1.273 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CC[C@@](CO)(COC)C2)c(C#N)cn1CCOC 1670021548 DMVOMNRNPXRQCQ-LJQANCHMSA-N 408.455 1.046 30 10 HDEE C[C@@H](c1ccncc1)N1CCC(NC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1670796368 YFQDITNHOLKYDO-RIFZZMRRSA-N 417.535 1.187 30 10 HDEE C#CCN(C1CCN(C)CC1)S(=O)(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 1671751142 KXDQWEIZGLNULD-FQEVSTJZSA-N 403.548 1.650 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)C1 1684082751 HFUOJAAZSQYAPO-RBUKOAKNSA-N 419.570 1.421 30 10 HDEE C=C[C@](C)(CC)C(=O)NCc1nc(O)cc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)n1 1684819303 DGJYDEBWWHZMPW-QCFNYSNPSA-N 400.479 1.440 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(C)C1CC1 1689852896 MDENDSVTSCFWAZ-WBVHZDCISA-N 423.583 1.895 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2ccc3ccccc32)n1CC(=O)N1CCOCC1 1689861691 ZGVMXHIYMPOIEV-QGZVFWFLSA-N 406.490 1.598 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(C)o2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1689952416 DUPRGPZMFZIRKK-UHFFFAOYSA-N 406.446 1.179 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1Cc1cnn(CC)c1)[C@H]1CCS(=O)(=O)C1 1689994053 PVTOFRHVAIJLBG-KRWDZBQOSA-N 402.524 1.122 30 10 HDEE C#CCN(CC#CC)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC 1690049968 NRHRDDXHKPHPAW-UHFFFAOYSA-N 403.483 1.020 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC(C)C)n2CC2(S(C)(=O)=O)CC2)CC1 1690146556 QONNVNWGNOYCAP-UHFFFAOYSA-N 421.567 1.020 30 10 HDEE C=C(Cl)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 1690326655 AVWPQGLOHADRSB-CQSZACIVSA-N 417.963 1.962 30 10 HDEE C=CCN(Cc1cccs1)c1nnc(C(=O)NC(C)C)n1Cc1nncn1C 1690574336 WYFNPSCYSFLHDZ-UHFFFAOYSA-N 400.512 1.847 30 10 HDEE CN(C)C(=O)CCCn1c(COc2ccc(F)cc2)nnc1N1CCO[C@H](C#N)C1 1696582247 CYYCHDREXFSXKM-QGZVFWFLSA-N 416.457 1.593 30 10 HDEE COCCO[C@@H](C)c1nnc(N(C)C[C@@H](C)C#N)n1CC1CCN(C(C)=O)CC1 1698115663 NJXOQXCKNXUNAA-HOTGVXAUSA-N 406.531 1.856 30 10 HDEE CON(C)c1nnc(-c2ccc(Cl)nc2)n1CCN/C(O)=C1\N=CC=CC1=O 1698264468 YXENSXUIVDNQFX-JQIJEIRASA-N 403.830 1.518 30 10 HDEE CS(=O)(=O)C1(Cn2c([C@@H]3CCCOC3)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1698299770 IDOQFLCWUVHLRG-RHSMWYFYSA-N 411.503 1.581 30 10 HDEE N#Cc1ccc(OCc2nnc(N3CC[C@@H](C(N)=O)C3)n2C[C@@H]2CC=CCO2)cc1 1698488533 DMPSUBAVRYYYNS-AEFFLSMTSA-N 408.462 1.385 30 10 HDEE C#CCN(C)c1nnc(-c2cc(Br)c[nH]2)n1C[C@@H](C)N1CCOCC1 1705543997 BMHPKTOXAMGKRD-CYBMUJFWSA-N 407.316 1.826 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCCCO1)[C@H]1CCS(=O)(=O)C1 1705566306 MHSXVYLKHIJSNT-BZSNNMDCSA-N 422.551 1.716 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@H]1CC1(C)C)[C@H]1CCS(=O)(=O)C1 1705567480 WTGCHXMFCNUIDC-ZACQAIPSSA-N 406.552 1.845 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2COc3ccccc3O2)n1Cc1cc(C)nn1C 1705629011 VFMIVEJKJXHAFM-FQEVSTJZSA-N 422.489 1.967 30 10 HDEE C=CCC(C)(C)Cn1c(-c2cnccn2)nnc1N1CCCN(S(C)(=O)=O)CC1 1705789719 UURRECCQRWZDID-UHFFFAOYSA-N 419.555 1.809 30 10 HDEE C=CCO[C@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(C)n(C)c2=O)C1 1705922691 RBXDBCHCWIKGEB-IRXDYDNUSA-N 412.494 1.066 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCCC2)nnc1N(C)C[C@H]1CCN(C(C)=O)C1 1705935746 CLMROLDARKVWHM-QGZVFWFLSA-N 423.583 1.841 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N(C)CCC1CCOCC1 1705936355 PKJSPIXZBDACLA-QGZVFWFLSA-N 412.556 1.636 30 10 HDEE CC(C)(C)Cc1nnc(N2CC[C@](F)(C#N)C2)n1CCOCCS(C)(=O)=O 1706131111 HPBSHVNOXRBTHW-KRWDZBQOSA-N 401.508 1.370 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N(C)C1[C@H]2CCC[C@H]12 1710897492 CVTZPIGTDVNFGQ-IRXDYDNUSA-N 414.535 1.991 30 10 HDEE CN(CCS(C)(=O)=O)c1nnc(COc2ccc(C#N)cc2)n1[C@@H]1C[C@H]1CF 1711237460 ULNWJXWWQSRXRD-GOEBONIOSA-N 407.471 1.740 30 10 HDEE Cn1nnc(Cn2c(COc3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)n1 1711283379 IFYWMMPTQZYKDM-QGZVFWFLSA-N 401.381 1.010 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(C(=O)NCC)CCC1 1722283831 JTEDUNHNFGIIGO-HNNXBMFYSA-N 409.494 1.690 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nc(C)cc(C)n2)CC1 1722336676 OKFMAIMVAHACKX-KRWDZBQOSA-N 408.510 1.376 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(C)(C)C(=O)NCC 1722350228 QGZTXWNJSDYZNG-UHFFFAOYSA-N 421.505 1.424 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCCO2)n1CCOCCS(C)(=O)=O 1722400632 UZSBVNOLDZUBJH-QGZVFWFLSA-N 408.524 1.044 30 10 HDEE C#CCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(CC)CCCC2)CC1 1722431785 NXHKXJPNVYBXBC-KRWDZBQOSA-N 422.599 1.614 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1cccc(O)c1 1722473852 IAECXSCXDYDKIW-OXQOHEQNSA-N 400.504 1.926 30 10 HDEE C=CCCCCn1c(C(=O)NC(C)C)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1722598688 OAYNZOALZXXGGE-QZTJIDSGSA-N 404.559 1.930 30 10 HDEE C=CCCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)CC1 1722624780 GKFHQPHYWKMXJA-UHFFFAOYSA-N 411.915 1.821 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CC(=O)NCCC 1722656868 KRYZXQOSVDCHCW-GOSISDBHSA-N 421.505 1.820 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C(C)C)N1CCOCC1 1722671118 JNKMNCCRGXVMDW-MSOLQXFVSA-N 402.543 1.764 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@](C)(O)[C@@H](C)CC)C1 1722722307 ZQRUWRRNYPSTHL-FVJLSDCUSA-N 405.543 1.979 30 10 HDEE C=CCSCCn1c(-c2cnn(C)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 1722737591 LSLQHAASGITXMJ-OAHLLOKOSA-N 402.528 1.154 30 10 HDEE Cc1ccccc1Cc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CCOCCCO 1724672419 JTBQEAIDYAHSLP-OAQYLSRUSA-N 424.549 1.753 30 10 HDEE C[C@H]1CN(CCCn2c([C@H]3CCCO3)nnc2N2CCO[C@H](C#N)C2)C[C@@H](C)O1 1726740904 GMYFFWYLPUDTHO-XMTFNYHQSA-N 404.515 1.358 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@]1(OC)CCOC1 1740558098 QXVRUKWOXIHMGF-LIRRHRJNSA-N 403.508 1.533 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H](OCCOC)C1 1740580505 AFBJQUDRTLOWRT-QGZVFWFLSA-N 412.494 1.971 30 10 HDEE C#CCCCn1c(C(C)C)nnc1N1CCN(S(=O)(=O)CCOC(C)C)CC1 1740581417 XEIBQJZVAJSNLI-UHFFFAOYSA-N 411.572 1.692 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CCC(=O)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740622394 CKTQRQLPOZSETE-QGZVFWFLSA-N 419.551 1.185 30 10 HDEE C#CCN(CC#C)c1nnc(-c2nnc(O)c3ccccc23)n1C[C@@](C)(O)CCOC 1740638725 NNMWVOCVHCFTJP-QFIPXVFZSA-N 420.473 1.454 30 10 HDEE C=CCC(C)(C)Cn1c([C@H](C)OCCOC)nnc1N1CCN2C(=O)NC[C@H]2C1 1740843440 HYSBFXUSEUNDOK-HOTGVXAUSA-N 406.531 1.818 30 10 HDEE CC(C)N1CCN(c2nnc(C(C)(C)C)n2CCN/C(O)=C2\N=CC=CC2=O)CC1 1741629600 VPFUBHNTMRURES-ISLYRVAYSA-N 415.542 1.632 30 10 HDEE CC/C=C\Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(c2nccnc2C#N)C[C@H]1C 1745095057 DNJJPELPCMMPLG-MSNYOWOLSA-N 421.509 1.572 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@](C)(O)CCOC 1748655701 DSUNIYDERTWMQH-YWZLYKJASA-N 410.482 1.166 30 10 HDEE C#C[C@H](C)N(C)c1nnc(Cc2ccc(F)cc2)n1CCS(=O)(=O)NC(C)C 1748677122 CTXLOEYDPSAJBD-HNNXBMFYSA-N 407.515 1.794 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccn2)n1CC1(OCCOC)CCOCC1 1748677132 CWXKNJXHEVELLI-GOSISDBHSA-N 413.522 1.934 30 10 HDEE C#CCN(CC)c1nnc(Cc2csc(C)n2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1748931175 OOODGHZOARXTIU-OAHLLOKOSA-N 422.580 1.375 30 10 HDEE C#CCSCCn1c(C(=O)NC(C)C)nnc1N1CCC(Cn2ccnn2)CC1 1749020173 NLMUUCUSHUQDTI-UHFFFAOYSA-N 416.555 1.291 30 10 HDEE C=C(C)CN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccn(CC)c1=O 1749158278 FQYCXQGJOCUIOS-KRWDZBQOSA-N 419.551 1.813 30 10 HDEE C=C(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[C@](O)(c2ccccc2F)C1 1749193468 KDJZTQXPDHDIRH-FOIQADDNSA-N 420.510 1.993 30 10 HDEE C=CCS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[C@@H](C)C1 1749721569 NXRFSMCWIGXNQK-CQSZACIVSA-N 404.496 1.372 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccn2C)nnc1N(C)Cc1cnccn1 1749730108 ZQSHIGYDAIPBLK-UHFFFAOYSA-N 401.496 1.311 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[C@H](OCC(C)C)C1 1749740316 CLIFCNJYAFPWJS-DLBZAZTESA-N 412.556 1.982 30 10 HDEE C[C@H]1CN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2CCCS(=O)(=O)C2)CCO1 1752311901 HOQAGYNHPPTTIP-DOTOQJQBSA-N 415.519 1.867 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C2CCN(c3ncccn3)CC2)n1CC[S@](=O)CC 1760112057 ABTVAFZKVRGNDC-HYDGNGQDSA-N 415.567 1.679 30 10 HDEE C#CCN(c1nnc(C)n1CCCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1760181522 WVYYAUSPFYCJHU-HKUYNNGSSA-N 407.584 1.868 30 10 HDEE C#CCN(c1nnc(C2CC2)n1CC1(CCOCC)CC1)[C@@H]1CCS(=O)(=O)C1 1760187306 CONBLPKGXAUUGS-QGZVFWFLSA-N 406.552 1.989 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCC1(O)CCC1)[C@H]1CCS(=O)(=O)C1 1760187901 LTBBCQJTAOSNIL-KRWDZBQOSA-N 406.552 1.868 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCOc1ccccc1C 1760194214 DKQHBLLVCBYDEN-KRWDZBQOSA-N 415.519 1.349 30 10 HDEE C#CCN(CC#C)c1nnc(CC(C)C)n1C[C@H]1CCC[C@H]1N1CCCS1(=O)=O 1760203757 PDZXSFXHMVCSPM-RTBURBONSA-N 417.579 1.754 30 10 HDEE C#CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(=O)NC(C)C)CC1 1760264841 XVPZRTKRRDZBBX-UHFFFAOYSA-N 410.522 1.445 30 10 HDEE C#CCSCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1cnccn1 1760287318 OAUDRDABVDQPEZ-RDJZCZTQSA-N 402.524 1.795 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@]2(CCC(=O)N2)C1 1760520579 SINRSVYDRDNRKW-HXUWFJFHSA-N 414.897 1.760 30 10 HDEE CC(C)c1nnc(N2CCN(c3cc(C#N)ccn3)CC2)n1C[C@]1(O)CCSC1 1760929763 CUXHQWBDXAXEQL-HXUWFJFHSA-N 413.551 1.863 30 10 HDEE CCCN(CCC)c1nnc(-c2cnccn2)n1CCN/C(O)=C1\N=CC=CC1=O 1766013732 JSDIHOBHGZDTFD-HTXNQAPBSA-N 410.482 1.888 30 10 HDEE CO[C@H]1CN(c2nnc(COc3ccc(C#N)cc3)n2Cc2nncn2C)CC[C@H]1C 1770657734 JVTLXSYUDGJVHX-QAPCUYQASA-N 422.493 1.767 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(C)C[C@H](C)C#N)n1C[C@@H]1CC[C@]2(CCOC2)O1 1771281971 ZNWPSUKTJYSATP-DLUQJKKWSA-N 419.526 1.936 30 10 HDEE C=CCN1C[C@H](C(=O)O[C@H]2CCCN(S(=O)(=O)c3cccc(F)c3)C2)CC1=O 1849292211 BWUDTKQONJYZNX-ZBFHGGJFSA-N 410.467 1.557 30 10 HDEE N#Cc1ccc2c(n1)CCCN2C(=O)Cn1nc(-c2ccc3c(c2)OCO3)ccc1=O 1849739354 NODHTPQBNHDRAI-UHFFFAOYSA-N 415.409 1.885 30 10 HDEE CN(C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1ccccc1)C1CN(c2nccnc2C#N)C1 1849877037 ZEFIUDSAPAKZNB-YLJYHZDGSA-N 404.474 1.605 30 10 HDEE O=C(NCC#CCN1CCCCCC1)[C@@H]1CCCN1S(=O)(=O)c1cccc(F)c1 1850012537 HMWXLOARAXQQPY-FQEVSTJZSA-N 421.538 1.974 30 10 HDEE CN1CCN(c2nc(NC(=O)c3cn4cc(F)ccc4n3)c(C#N)cc2C#N)CC1 1851119915 BRXDRYCJKJKMSJ-UHFFFAOYSA-N 404.409 1.616 30 10 HDEE CC(C)(C)[C@@H](C(=O)N(c1ncccc1C#N)C1CCC1)N1CCS(=O)(=O)CC1 1851183881 VXVJCONFWMSMNZ-QGZVFWFLSA-N 404.536 1.984 30 10 HDEE N#Cc1cnc(NC(=O)[C@H]2CN3CCN2CC3)nc1-c1ccc(Br)cc1 1851857631 YDBOJKYTDGWIDK-OAHLLOKOSA-N 413.279 1.716 30 10 HDEE Cn1ncc(N2CCC[C@H](C(=O)Nc3ncc(Br)cc3C#N)C2)cc1=O 1853246228 UYWQBIMAEOOEIM-NSHDSACASA-N 417.267 1.665 30 10 HDEE COc1ccc(C(N)=NOCCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1 1853542083 NUKDOJQWESABPB-UHFFFAOYSA-N 410.474 1.707 30 10 HDEE C=CCCC(=O)N1C(=O)Cc2cc(S(=O)(=O)N3CCc4ncncc4C3)ccc21 1853954768 VNIFCNDKTUOWOL-UHFFFAOYSA-N 412.471 1.606 30 10 HDEE C=CCN1C[C@@H](C(=O)N2CCN(C[C@H]3CCOC3)C3(CCCCC3)C2=O)CC1=O 1854104489 XQJLAPLUEJEWTE-MSOLQXFVSA-N 403.523 1.431 30 10 HDEE C=CCCN1CCN(C(=O)C2CN(C(=O)COc3ccccc3F)C2)C(=O)[C@H]1C 1854267282 LBNIBHDKEAAIMH-OAHLLOKOSA-N 403.454 1.298 30 10 HDEE N#Cc1cccc(C(=O)N2C[C@@H](C3CCN(S(=O)(=O)C4CC4)CC3)OC2=O)c1 1855135020 JIMUOKNCBZZXLK-KRWDZBQOSA-N 403.460 1.723 30 10 HDEE C=C[C@H]1CCCCN1C[C@@H]1CCC(=O)N(C(=O)C2CCN(S(C)(=O)=O)CC2)C1 1855423923 IKKUSMJVKJPEIY-WMZOPIPTSA-N 411.568 1.464 30 10 HDEE N#Cc1cc(C(=O)N2CCCC[C@@H](N3CCN(c4ncccn4)CC3)C2=O)ccn1 1855712339 OVDHZBRTZNTREF-GOSISDBHSA-N 405.462 1.087 30 10 HDEE C[C@@H](C(=O)N1CCN(CCC#N)C(C)(C)C1=O)n1nc(-c2ccccc2)ccc1=O 1855872162 BDJWILPKXKDKEI-INIZCTEOSA-N 407.474 1.834 30 10 HDEE C=CCN1CCN(C(=O)[C@H](C)n2nnc3ccccc3c2=O)C(=O)C12CCCCC2 1856288101 OWYXBTPCJYHXNG-INIZCTEOSA-N 409.490 1.912 30 10 HDEE CN1CC[C@@H](N2CCC([C@@H]3CC(=O)N(C(=O)Cc4ccc(C#N)cc4)C3)CC2)C1=O 1856316869 SSLUKRSJXVYGDU-WOJBJXKFSA-N 408.502 1.419 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)C2CC3(CCOCC3)C2)C1)[C@H]1CCN(C)C1=O 1857062341 IHYDZQHLSYDULX-MJGOQNOKSA-N 417.550 1.677 30 10 HDEE C=CCN(C[C@H]1CCC(=O)N(C(=O)COc2ccc(C)cc2)C1)[C@@H]1CCN(C)C1=O 1857105227 UKZQXWZAEGJJCE-UYAOXDASSA-N 413.518 1.858 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)c3cccc(=O)o3)C2)CC1 1857248885 DCNSCGCZQPRIEY-HNNXBMFYSA-N 406.442 1.775 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cccc3c2OCCO3)C1)[C@H]1CCN(C)C1=O 1857263192 QICBNWCMHKGHFY-RDJZCZTQSA-N 413.474 1.165 30 10 HDEE Cc1ncc(CCC(=O)N2CCC(OCC#CCN3CCN(C)CC3)CC2)s1 1889277364 ZTGRYACRNGQGTN-UHFFFAOYSA-N 404.580 1.643 30 10 HDEE CN(c1cc(C#N)ccn1)C1CCN(C(=O)C2CN(c3ncc(Cl)cn3)C2)CC1 1890094441 MMCDIQLBILTIQP-UHFFFAOYSA-N 411.897 1.960 30 10 HDEE N#CC1(CS(=O)(=O)N2CCC[C@H](N(CC(F)F)C(=O)C(F)(F)F)C2)CC1 1964016636 DHDSOYLBZWBBPA-JTQLQIEISA-N 403.373 1.740 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@@H]1CO[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 1984026675 UQFRFSZKSLZYQC-QJPTWQEYSA-N 411.318 1.449 30 10 HDEE C[C@@H](NC(=O)[C@H]1CCCS1(=O)=O)c1nscc1B1OC(C)(C)C(C)(C)O1 2186625907 DMRJIYCSQNDORE-ZYHUDNBSSA-N 400.331 1.197 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@@]1(O)[C@H](N)C#Cc1ccccc1Br 2220260569 UKZJFQGGPZAZEF-IIDMSEBBSA-N 411.296 1.783 30 10 HDEE CN(Cc1cc(B2OC(C)(C)C(C)(C)O2)cs1)[C@H]1CCN(S(C)(=O)=O)C1 2235414475 KJDFWXXDYOEJFT-AWEZNQCLSA-N 400.375 1.513 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@H]2[C@@H]1[C@H]2C(=O)NCC=CB1OC(C)(C)C(C)(C)O1 2243686025 GKCOJJLECHWHST-QLFBSQMISA-N 408.304 1.925 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)c2c[nH]nc2B2OC(C)(C)C(C)(C)O2)[C@H]2C[C@H]21 2247811782 CCFPUUSBUDZUMU-UONOGXRCSA-N 418.303 1.543 30 10 HDEE C[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1n[nH]cc1B1OC(C)(C)C(C)(C)O1 2247827920 KTQGRICJITWHKF-JSGCOSHPSA-N 420.319 1.694 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)C1 2247828486 OILPBYOJOBBGSI-YUNKPMOVSA-N 418.303 1.448 30 10 HDEE C[C@@H](CN(C)C(=O)c1c(B2OC(C)(C)C(C)(C)O2)cnn1C)NC(=O)OC(C)(C)C 2247845021 LEPSAEYHTKLSAO-ZDUSSCGKSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](CO)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248433583 MZKCVNJTSNSUCR-ZDUSSCGKSA-N 421.303 1.453 30 10 HDEE CC1(C)OB(c2cncnc2C(=O)NCc2nccn2Cc2ccccc2)OC1(C)C 2255668727 DGKPYKVBNQEFDX-UHFFFAOYSA-N 419.294 1.951 30 10 HDEE C#C[C@]12C[C@H](CCN1S(=O)(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)O)C2 2260229646 OGETZJOZHYNNHA-MDZRGWNJSA-N 406.460 1.184 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@@H]3COCC[C@H]3N)cc2Cl)OC1(C)C 2282304400 KEOSQESIVFZIEV-GHMZBOCLSA-N 422.765 1.095 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H]1CCC[C@@H]1CN 2282325364 DJXYMTKXPKUTEI-OLZOCXBDSA-N 400.375 1.761 30 10 HDEE CN1CCC[C@@]1(C)CNS(=O)(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282336011 XHRJGRDFASUELT-KRWDZBQOSA-N 400.375 1.810 30 10 HDEE CCN1CC(CN(C)S(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)C1 2282351486 BDTBVEDOCMGVSZ-UHFFFAOYSA-N 400.375 1.620 30 10 HDEE C[C@@H](CC(=O)N(C)C)NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282496062 VNPQZOMPHYVMIE-NSHDSACASA-N 402.347 1.192 30 10 HDEE CN(CCS(=O)(=O)N(C)C)C(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282536585 FDMKWTVZEIXTFB-UHFFFAOYSA-N 402.347 1.011 30 10 HDEE Cc1cc(S(=O)(=O)N2CCCC3(C2)OCCO3)ccc1B1OC(C)(C)C(C)(C)O1 2282830218 QRGNQMLSXOVBCF-UHFFFAOYSA-N 423.340 1.822 30 10 HDEE C[C@H]1CC[C@@H](CNS(=O)(=O)Cc2ncsc2B2OC(C)(C)C(C)(C)O2)O1 2282832937 DFVDMGCYNKIVHS-RYUDHWBXSA-N 402.347 1.429 30 10 HDEE Cc1sc(C)c(S(=O)(=O)N[C@@H]2CCONC2)c1B1OC(C)(C)C(C)(C)O1 2282867009 RXLCRBYEOILNFG-GFCCVEGCSA-N 402.347 1.236 30 10 HDEE CN(C[C@@H](O)C1CC1)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1 2282869981 KYDHTEHKZBWAQY-CQSZACIVSA-N 401.359 1.580 30 10 HDEE CC(C)[C@@H](CN)NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282871414 GTIAPTAJPPYKKM-OAHLLOKOSA-N 402.753 1.901 30 10 HDEE C[C@@H]1C[C@H](CN)CCN1S(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1 2282882001 GBMVEHGLYKSDAD-CHWSQXEVSA-N 400.375 1.795 30 10 HDEE C[C@H](CCCNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284414281 GABBNTPDNCLQCZ-LLVKDONJSA-N 403.331 1.827 30 10 HDEE COc1ccc(C#C[C@H](N)[C@H](O)c2ncc(I)s2)cn1 2295783624 IELWLNKYYXYELP-CABZTGNLSA-N 401.229 1.564 30 10 HDEE CC(C)(C)OC(=O)N1CCO[C@@H]2C[C@H](NC(=O)C#CB3OC(C)(C)C(C)(C)O3)C[C@@H]21 2303389902 KDVVZLBFSAYXAE-OWCLPIDISA-N 420.315 1.904 30 10 HDEE C#Cc1c(NS(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)cnn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n1/c(=N/C(=O)[C@H]2CCCCN2S(C)(=O)=O)sc2cc(OC)ccc21 13794952 PJQVHECABLRODH-RAJOGRCSSA-N 407.517 1.586 30 10 HDEE COc1ccccc1/C=N/Nc1nnc(SCC(=O)NCc2ccccc2)n1N 21319683 AUGGVMVRIVAIHH-WSDLNYQXSA-N 411.491 1.855 30 10 HDEE C=CCNC(=O)CN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1 32490061 IYXMHDZSRGSKNS-UHFFFAOYSA-N 410.272 1.512 30 10 HDEE O=C(CSc1n[nH]c(N/N=C/c2ccco2)n1)NCc1ccc2c(c1)OCO2 59006078 JJHYRVLVHUGVNN-UFWORHAWSA-N 400.420 1.981 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC4(CC3)OCCO4)[nH]c(=O)c2[C@@H]1c1ccccc1 72444225 OQZIINZUCOVLRU-HUUCEWRRSA-N 407.430 1.337 30 10 HDEE CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](Oc3nccnc3C#N)C2)c(C)c1 238860772 KPNCPOQGJJWGQZ-MRXNPFEDSA-N 415.475 1.847 30 10 HDEE O=C(O)CCCC(=O)N=C1S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(F)cc1 254439537 URKQCMABCFNQNR-KBPBESRZSA-N 414.480 1.678 30 10 HDEE CCCc1c(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cnn1-c1cccc(C#N)c1 439663297 CABVCVJCMOTUSW-OAHLLOKOSA-N 416.507 1.852 30 10 HDEE COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(c3ncccc3C#N)CC2)cc1 466980857 KOXXFPLKSBYRCF-HXUWFJFHSA-N 419.485 1.915 30 10 HDEE CO[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)CC[C@H]1C 469884941 QVPWOYLADLQTQG-BEFAXECRSA-N 405.520 1.842 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)c3cc(C#N)cn3C)CC2)c1 471660170 USIDGWMANKWTPV-UHFFFAOYSA-N 418.475 1.061 30 10 HDEE N#Cc1cccc(COc2cccc(NC(=O)C(=O)N3CC[C@@H](NC(N)=O)C3)c2)c1 476662647 JHGSWOARYAYQIN-QGZVFWFLSA-N 407.430 1.345 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H](Cc1ccccc1)CN(C)C 480563790 NNZXHYODDWHWHV-APWZRJJASA-N 414.531 1.514 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(Br)ccc1OC)C(=O)OC 481603597 JDKCOUHVDVSOIF-NSHDSACASA-N 408.270 1.480 30 10 HDEE CCOc1ccc(N(CCC#N)C(=O)CN2C[C@H]3COCC[C@@]3(C(=O)OC)C2)cc1 483058919 LBOXZYOZFGFVRP-HTAPYJJXSA-N 415.490 1.843 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCCOc2ccc(C#N)cc2)[C@H](C)O)cc1 500669288 VIHYEBBXKYNNCK-KXBFYZLASA-N 417.487 1.090 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@H](CCC(=O)N3CC(=O)Nc4ccccc43)C2=O)cc1 504698262 ONDPYPPUSXOTHG-MRXNPFEDSA-N 403.398 1.749 30 10 HDEE N#Cc1ccc(OC2CCN(CC(=O)Nc3ccc(S(N)(=O)=O)cc3)CC2)cc1 507858674 HDNJJNTUHQMROF-UHFFFAOYSA-N 414.487 1.688 30 10 HDEE C=CCn1c(-c2ccc(C)c(F)c2)nnc1N1CCN(CC(=O)NCCOC)CC1 509012592 QFNPYBILERJQJT-UHFFFAOYSA-N 416.501 1.463 30 10 HDEE N#Cc1ccc(OC2CCN(C(=O)NCc3cccc(S(N)(=O)=O)c3)CC2)cc1 509750352 KQRHRFZAJDWGFX-UHFFFAOYSA-N 414.487 1.959 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N[C@H](Cc3ccccc3)C(=O)N(C)C)cc2C1=O 520223610 ITCVJDXVKAYQJU-LJQANCHMSA-N 405.454 1.898 30 10 HDEE C=CCOC(=O)c1sc(NC(=O)C[S@](=O)CC(=O)N2CCCCC2)nc1C 526839209 BXKSAXQVFQSKJR-MHZLTWQESA-N 413.521 1.494 30 10 HDEE N#Cc1cccc(N2CCN(C(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]43)CC2)n1 544863033 KZPUIYIWRXOPRA-GJYPPUQNSA-N 414.535 1.328 30 10 HDEE C=CC[C@H](CO)NS(=O)(=O)c1cc(Cl)c(OCC(=O)N(C)C)c(Cl)c1 569960848 SIZGTIBQMWKUQS-SNVBAGLBSA-N 411.307 1.676 30 10 HDEE CC(C)(C)C(=O)NC[C@@H]1CCCN(C(=O)C(=O)NCc2ccc(C#N)cc2F)C1 586859304 YXYYQPMBBNMWGH-HNNXBMFYSA-N 402.470 1.714 30 10 HDEE N#CC1(CS(=O)(=O)N2CCN([C@@H](C(N)=O)c3ccc(Cl)cc3)CC2)CCC1 589214666 RZCYRZWWGVWSJM-MRXNPFEDSA-N 410.927 1.508 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)nc1 609557429 OQPPRYKIXSYSSX-GOSISDBHSA-N 410.522 1.966 30 10 HDEE C=C(C)Cn1c(-c2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 670216080 ZCNSTQSRMROMBW-FXAWDEMLSA-N 409.538 1.905 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)C(=O)NCc2sc(-c3ccccc3)nc2C)C1=O 672211783 KIPCDVUDZZVYCI-INIZCTEOSA-N 412.515 1.980 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)O[C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1=O 726043048 JHWJKMPUHBWFES-OAHLLOKOSA-N 415.446 1.332 30 10 HDEE N#Cc1ccc(CNC(=O)COC(=O)[C@H]2CSCN2C(=O)C2CCCC2)cc1 730313611 AMMAJHHVKOLMBF-QGZVFWFLSA-N 401.488 1.809 30 10 HDEE COc1cc(OC)c(CNC(=O)NCCN/C(O)=C2/N=CC=CC2=O)c(OC)c1 732451525 WOWOPQVMOVZNRU-ZCXUNETKSA-N 404.423 1.038 30 10 HDEE CCn1cc(C=c2sc(=C(C#N)C(=O)NC(C)C)n(Cc3ccccc3)c2=O)cn1 732560953 DOFGLPQDZHFGPE-UHFFFAOYSA-N 421.526 1.202 30 10 HDEE CCCCNS(=O)(=O)c1cccc(NC(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732696749 OEVBUQNWTUJPGR-QGZVFWFLSA-N 405.524 1.969 30 10 HDEE C#CCN(C(=O)c1cc(S(=O)(=O)CC)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 735652565 NWXJMDAYCQSMIL-GFCCVEGCSA-N 403.909 1.396 30 10 HDEE C[C@H](CC(=O)NCC1(O)Cc2ccccc2C1)/N=C1/NS(=O)(=O)c2ccccc21 742694782 KPAFWOYAFKUBSR-CQSZACIVSA-N 413.499 1.150 30 10 HDEE CCc1ccc(CN2CCN(C(=O)CCN/C(O)=C3\N=CC=CC3=O)CC2)s1 746285484 RBJAUDIKOJENSL-FMQUCBEESA-N 402.520 1.871 30 10 HDEE COc1cc(CN2CCN(c3ccc(S(N)(=O)=O)cc3C#N)CC2)cc(OC)c1 747620974 KCTPEYACINEBKK-UHFFFAOYSA-N 416.503 1.545 30 10 HDEE CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NS(=O)(=O)Cc1ccc(C#N)cc1 750801524 MNDDNZYIINESSF-BOCDPNTGSA-N 407.517 1.762 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C1 751956572 AFISIAMAFNFWPM-CNNWTFKKSA-N 406.483 1.666 30 10 HDEE CC(C)(C)OC(=O)NC/C=C\CNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 753742326 HJYKCGWFHLPCEE-PLNGDYQASA-N 407.492 1.670 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)OCC(=O)c1ccc(C#N)cc1 755186444 NBKLMTWVVLGWQX-INIZCTEOSA-N 415.446 1.800 30 10 HDEE O=C(C/N=C1/NS(=O)(=O)c2ccccc21)N[C@@H]1CCN(c2c(F)cccc2F)C1 755634333 UMOQIGSMDIXXHX-GFCCVEGCSA-N 420.441 1.398 30 10 HDEE C#CCN1CCC[C@@H]1COC(=O)CCCN(C)S(=O)(=O)c1ccc(OC)cc1 756548937 SCTLJOPRBYOJOQ-QGZVFWFLSA-N 408.520 1.737 30 10 HDEE Cc1cc(NC(=O)C[C@@H](C)/N=C2/NS(=O)(=O)c3ccccc32)cc(OCCO)c1 773279946 RNSIHSVNTAOUPI-CQSZACIVSA-N 417.487 1.822 30 10 HDEE COCCCS(=O)(=O)N1CCC(OC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 774998287 RGAPQPSBUCUJGV-HNNXBMFYSA-N 410.492 1.699 30 10 HDEE CC1(C#N)CCN(CN2C(=O)N[C@](C)(c3ccc(S(C)(=O)=O)cc3)C2=O)CC1 779878964 HGORPWKPNQFJTE-LJQANCHMSA-N 404.492 1.440 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)OCC(=O)N2CCC(NC(=O)c3ccccc3)CC2)cc1 780210721 SSIJFNMEYFEBOL-NRFANRHFSA-N 421.453 1.556 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)cc1 780853005 AVSCZUJSZGOWRT-KRWDZBQOSA-N 421.425 1.403 30 10 HDEE N#Cc1c(F)cccc1S(=O)(=O)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 781598784 CQAMAHBRWDHHCM-UHFFFAOYSA-N 405.407 1.648 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2ccc(CN3C(=O)CCC3=O)cc2)n1 788813586 NXFZUSHYZISCDS-UHFFFAOYSA-N 408.458 1.454 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)NC2CCN([C@H]3CCCC[C@@H]3O)CC2)n1 789115194 QYFLQGXTIWUCMP-SFTDATJTSA-N 417.554 1.442 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@@H]2CSCN2C(=O)/C(C)=C\CC)n1 790108704 BRGKXDZFMYDNKR-FAKSIROFSA-N 404.536 1.749 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)[C@](N)(c2ccccc2OC)C(F)(F)F)n1 791012618 GGOLQVLRUKYHMD-LJQANCHMSA-N 424.423 1.916 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1cc(C(=O)OC)c(Cl)cc1F)C(=O)OC 795969409 AMWYKOSHSSWJKA-LBPRGKRZSA-N 409.819 1.288 30 10 HDEE N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N3CC[C@H](c4ccccn4)C3)n2)cc1 799279736 IYXUXAMJWUNLDQ-KRWDZBQOSA-N 401.430 1.548 30 10 HDEE C=CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC2(CC1)OCCO2 809891993 GHMSHIARTAPVFJ-UHFFFAOYSA-N 411.510 1.981 30 10 HDEE O=C(CCCCC/N=C1/NS(=O)(=O)c2ccccc21)N1CC2(CCOCC2)C1 816301178 BFCBJCBCOPEVIR-UHFFFAOYSA-N 405.520 1.925 30 10 HDEE CCc1noc(C[C@]2(O)CCCN(S(=O)(=O)c3cccc(Cl)c3C#N)C2)n1 856587753 RHDMWIMOLMSQCE-QGZVFWFLSA-N 410.883 1.915 30 10 HDEE C=CCO[C@@H]1CCN(S(=O)(=O)c2cc(/C=C/C(=O)OC)cc(OC)c2OC)C1 1118924684 SMEIPNGMQOHKFE-LQYUOIDQSA-N 411.476 1.856 30 10 HDEE Cc1c(NC(=O)c2cn(C[C@H]3CNC(=O)O3)nn2)ccc(Br)c1C#N 1129955103 QTYNZBHPHATSIN-SECBINFHSA-N 405.212 1.581 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCN(C4CCC4)C3=O)CC2=O)cc1Cl 1132028043 ODYLWSDEONTMIT-DYVFJYSZSA-N 400.866 1.834 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCC(=O)NCC(F)(F)F)C2)C1 1136294706 KDHVPTMCBPRXJD-JKGQDXBKSA-N 418.416 1.568 30 10 HDEE C=CCc1ccc(OCC(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(OC)c1 1149379042 RJJHGQYXEAAITH-CVEARBPZSA-N 406.479 1.899 30 10 HDEE C#CCN(CC(=O)N1CCCN(c2nccc(OCC)n2)CC1)C(=O)OC(C)(C)C 1150431055 IVPJIFTVYCWWKM-UHFFFAOYSA-N 417.510 1.784 30 10 HDEE N#C[C@@H](CO)NC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 1157962511 FLRUSPOLKKXESP-KRWDZBQOSA-N 420.535 1.466 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(C(=O)OCC)c2C2CC2)c1 1158279620 JMACAVYMVVTODG-UHFFFAOYSA-N 416.459 1.628 30 10 HDEE CN(C)C(=O)O[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)C1 1158622965 STHYBYBYPQXJSY-HNNXBMFYSA-N 408.480 1.181 30 10 HDEE C#CCN1CCC[C@H](NS(=O)(=O)c2cc(N(C)C)ccc2Br)C1 1213680069 KVVVDRHMCSOGHO-ZDUSSCGKSA-N 400.342 1.891 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)Nc1cccc(C(=O)N2CCOCC2)c1 1214693758 PDXGXYVWVLPKER-UHFFFAOYSA-N 401.463 1.968 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1Cc1ccc2c(c1)C(=O)NCC2 1286309703 UKAQACGRKNIRLS-BPAFIMBUSA-N 423.517 1.794 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](C)N(C)Cc1ccccc1 1286407255 GQIOWOXJZHQMFI-UYAOXDASSA-N 404.518 1.823 30 10 HDEE C#CCN(CC#C)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(CC(F)(F)F)C1 1286416800 YHJRJRWUFWMUMR-MRXNPFEDSA-N 422.455 1.358 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1CCCN1CCCCCC1=O 1286432377 HNQUUTDAOLCKML-UHFFFAOYSA-N 424.549 1.656 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2cccnc2)n1C[C@H]1CCCS(=O)(=O)C1 1286466777 MWLJIUKXHTYAKD-GOSISDBHSA-N 417.535 1.175 30 10 HDEE C=C(Cl)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCO[C@@H](C#N)C1 1286626667 FFMQCEUPKNQNAK-ZDUSSCGKSA-N 411.853 1.673 30 10 HDEE C=CCN(CCOC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@@H]1C 1286774139 ZXWGEXNRXGQVQK-YESZJQIVSA-N 412.556 1.492 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc3cccnc23)nnc1N1CC(=O)N(C)C[C@H]1C 1286784422 HDASJKKMTIZOLP-OAHLLOKOSA-N 419.489 1.462 30 10 HDEE CCCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1294252912 ASKFKHZTHPPMHK-UHFFFAOYSA-N 408.510 1.907 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)C[C@H]1C(=O)Nc1cnn(-c2ncccc2C#N)c1 1296136935 LVXHALSRSSCQOW-INIZCTEOSA-N 411.466 1.629 30 10 HDEE CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccc(C#N)cc3)n2CCOCCOC)C1 1299014627 MRIZUNYQLKCVOJ-NRFANRHFSA-N 412.494 1.442 30 10 HDEE CN(c1cccc(C#N)c1)[C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)N(C)C)o2)C1 1300019427 WZZBASLOFBVWBR-MRXNPFEDSA-N 402.476 1.752 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CC[S@@](=O)C(C)(C)C 1300445972 BGPSNCKWWAXRRC-GDLZYMKVSA-N 412.523 1.537 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccc(C(C)(C)C)cc2)n1Cc1nnn(C)n1 1300549100 XFNXRBBIQKLIBI-UHFFFAOYSA-N 418.505 1.799 30 10 HDEE C#CCSCCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCS(=O)(=O)CC1 1300751606 MMASFWZFVCYGHT-UHFFFAOYSA-N 420.516 1.275 30 10 HDEE C=C(C)COCCn1c(CC2CC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1300996982 LHCRVKYUCKNSLW-SFHVURJKSA-N 403.527 1.651 30 10 HDEE C=CCCOCCn1c(CC(C)(C)C)nnc1N1CCN(S(C)(=O)=O)[C@@H](C)C1 1301258510 UXSJTXUMAKSJKC-INIZCTEOSA-N 413.588 1.930 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@]3(OCC)CCOC3)n2Cc2cnn(C)c2)C1 1301543682 OOEFPQWICBYORZ-XLIONFOSSA-N 402.499 1.493 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cc(S(N)(=O)=O)c(Br)s2)CC1 1303025456 DOHNQOFJJDBACE-UHFFFAOYSA-N 407.311 1.148 30 10 HDEE Cc1ccc(C(=O)CCC(=O)CCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)s1 1304272072 QDYSOAIZJWVUDK-IFXJQAMLSA-N 422.528 1.766 30 10 HDEE CCOC(=O)c1c(NC(=O)N2[C@@H](C)[C@@H](C)N(C)C(=O)[C@H]2C)c(C#N)cn1CCOC 1310523779 AEAMAKNFOPEEON-HZSPNIEDSA-N 419.482 1.654 30 10 HDEE CCS(=O)(=O)CCn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](COC)C1 1314529468 GEXPBJUMJISDRP-MRXNPFEDSA-N 403.508 1.724 30 10 HDEE CN(c1nnc(Cc2ccncc2)n1Cc1ccc(C#N)o1)[C@H]1CCS(=O)(=O)C1 1314699922 ZLIWAUYZLSUTTL-HNNXBMFYSA-N 412.475 1.400 30 10 HDEE COc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCOCC(F)F)c(OC)c1 1315427576 XGNMWFXXQHVMMY-CQSZACIVSA-N 423.420 1.973 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCCC2)C1 1316526924 DZIQEUXEBLWBTP-MGPUTAFESA-N 417.489 1.464 30 10 HDEE C#CCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC1(O)CCOCC1 1358938166 RZZHSTUCCMLQJG-UHFFFAOYSA-N 417.897 1.472 30 10 HDEE C#CCN(C)c1nnc(-c2sc(N3CCOCC3)nc2C)n1CCOCCOC 1358940125 OKSSSNIYHISIEZ-UHFFFAOYSA-N 420.539 1.279 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CCOCCCC)[C@@H]1CCS(=O)(=O)C1 1358963371 GTTCCWPQUQXVDB-IAGOWNOFSA-N 410.540 1.225 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(OCCC)c(OC)c2)n1C[C@]1(O)CCOC1 1358974236 WKINQHYMSBKKRM-HSZRJFAPSA-N 424.501 1.967 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1CCN1CC=CCC1 1358982447 XJZOGPDVMDKHSX-UHFFFAOYSA-N 408.531 1.604 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H](C)OCCOC)n1C[C@H]1CCn2ccnc2C1 1358985995 LONRCLYBNABGJK-OALUTQOASA-N 410.522 1.924 30 10 HDEE C#CCN1CCN(c2nnc(CC(C)(C)C)n2CC2CCS(=O)(=O)CC2)CC1 1359036394 VPTWQAODQBDAKC-UHFFFAOYSA-N 407.584 1.447 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccccc1 1359049497 QPNDVQMRLOFJMA-HNNXBMFYSA-N 407.565 1.891 30 10 HDEE C=C1CCN(c2nnc([C@@H](C)OCCOC)n2CC(=O)NCC(F)(F)F)CC1 1359160258 PVHAPFDEXOUNRO-CYBMUJFWSA-N 405.421 1.837 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(O)CC(OCC)C1)C1CC1 1359251162 DUCQENARWSPDDN-ICXUMSERSA-N 410.540 1.265 30 10 HDEE C=CCOc1ccccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CC(=O)N(C)[C@@H](C)C1 1359310286 RYCDHDJCYJSIKZ-DOTOQJQBSA-N 424.505 1.509 30 10 HDEE CC(C)N1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N(C)C[C@H](C)C#N)CC1 1359476563 GYMKFNVOOFNVNG-QGZVFWFLSA-N 417.558 1.232 30 10 HDEE Cc1c(C#N)c(NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)n2ccccc12 1436266187 NBTNOVJSELFQIN-CYBMUJFWSA-N 413.459 1.223 30 10 HDEE C[C@H](C(=O)N1C[C@H](CCNC(=O)C(F)(F)F)c2ccccc21)n1cnc(C#N)n1 1454921037 BSULNINDDFMDAX-NEPJUHHUSA-N 406.368 1.910 30 10 HDEE N#Cc1ccc(CS(=O)(=O)CC(=O)NCCOC(F)(F)C(F)(F)F)cc1 1455455104 RUKATPFDHVVFKV-UHFFFAOYSA-N 400.325 1.761 30 10 HDEE C#C[C@@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1468327750 HIMHEZLSILWZHA-IAGOWNOFSA-N 410.854 1.609 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1 1477216979 YOPUOFLUBWZANP-UHFFFAOYSA-N 401.466 1.344 30 10 HDEE C=CCCSCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 1477814524 UAVFBBYXVWBHQQ-QGZVFWFLSA-N 420.583 1.891 30 10 HDEE C#CCN(C)CCCNC(=O)NCCCc1nn(-c2ccc(C)cc2)c(N)c1C#N 1478734509 BTXQLTUEIUGTRS-UHFFFAOYSA-N 407.522 1.822 30 10 HDEE Cc1nccn1-c1ccc(Cn2c(C(=O)NC(C)C)nnc2N(C)C[C@@H](C)C#N)cn1 1492703560 AXXHIPXCRZCZHL-HNNXBMFYSA-N 421.509 1.950 30 10 HDEE CCn1cc(Cn2c(COc3ccc(C#N)cc3)nnc2N2CCO[C@H](C#N)C2)cn1 1502231227 DVQYZRPXSSJTCK-LJQANCHMSA-N 418.461 1.722 30 10 HDEE CCN1CCC[C@@H]1Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](F)(C#N)C1 1502291699 FRNHFWAXXQLBRV-CLWJZODNSA-N 406.506 1.928 30 10 HDEE CN1C[C@](C)(Cn2c(COc3ccccc3F)nnc2N2CCO[C@@H](C#N)C2)C1=O 1503675611 RYVLHDMKRMNXPB-VBKZILBWSA-N 414.441 1.203 30 10 HDEE COC[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2ccc(C#N)o2)C1 1504700832 IHVAELBFPMDWLE-KBPBESRZSA-N 405.480 1.166 30 10 HDEE COCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1504805958 YBNOHTXLPLXVET-WDSOQIARSA-N 418.542 1.605 30 10 HDEE N#CCCN(CC1CC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1COCCO1 1505324798 CBVYPIDIKXKLLO-MRXNPFEDSA-N 411.466 1.471 30 10 HDEE C#C[C@H](C)N(C)c1nnc(COc2ccccc2OCC)n1CCS(C)(=O)=O 1507545867 MRELXNALTLMYCA-HNNXBMFYSA-N 406.508 1.758 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCO[C@H](c2ccccc2)C1 1507573621 IUOBPEIHLJGVPY-AEFFLSMTSA-N 417.535 1.880 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 1507589789 ZYPYYUVSNQQUGB-ROUUACIJSA-N 423.583 1.897 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)OCCOC)n1C[C@]1(O)CCc2ccccc21 1507642485 KAVKTXQIJSCQDF-WZONZLPQSA-N 408.502 1.909 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1oc(CC)nc1C 1507669937 VOGBLOVHSCKXSU-INIZCTEOSA-N 415.519 1.550 30 10 HDEE C#CCN(CC)c1nnc(-c2cc(OC)cc(OC)c2)n1CCS(=O)(=O)CC 1507680615 JRCJQXJLOLLCNZ-UHFFFAOYSA-N 406.508 1.857 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H](C)OC)CC1 1507734292 KOSCDIYSCZNNOH-MRXNPFEDSA-N 406.490 1.817 30 10 HDEE C=C(C)COCCn1c([C@H]2CCOC2)nnc1N1CCC(N2CCNC2=O)CC1 1507844782 PKEHXHZQDXLEDB-INIZCTEOSA-N 404.515 1.369 30 10 HDEE C[C@@H]1CCCN(c2nnc(-c3cnn(C)c3)n2CCN/C(O)=C2/N=CC=CC2=O)CC1 1512201510 GMHIIDRPNSQYHU-MEUCICPISA-N 424.509 1.831 30 10 HDEE CNC(=O)C(C)(C)Cn1c(-c2noc3c2COCC3)nnc1N(C)C[C@H](C)C#N 1517438257 KVRFMFLOXZDFNR-GFCCVEGCSA-N 401.471 1.374 30 10 HDEE COc1cc(CNC(=O)C2(C(=O)OC(C)(C)C)CCS(=O)(=O)CC2)ccc1C#N 1531859805 ZTNUBKCKNOPXKH-UHFFFAOYSA-N 422.503 1.720 30 10 HDEE N#Cc1ccc(N2C[C@@H](C(=O)NCCCNC(=O)c3ccccc3F)CC2=O)cc1 1533487074 KDZWXRFQCSIZMS-INIZCTEOSA-N 408.433 1.987 30 10 HDEE COc1ccc(C)cc1[C@@]1(C)NC(=O)N(CC(=O)N(C)c2cc(C#N)ccn2)C1=O 1537541176 ZVEHQVDWWJNESV-OAQYLSRUSA-N 407.430 1.700 30 10 HDEE C#CCCCn1c(Nc2cnn([C@@H]3CC3(F)F)c2)nnc1[C@@H](C)NS(C)(=O)=O 1539142148 KZUQZQFVNGLPPO-DGCLKSJQSA-N 413.454 1.822 30 10 HDEE C#CCN(c1nnc(C2CCC2)n1CCN(C)[C@@H](C)CC)[C@@H]1CCS(=O)(=O)C1 1539223162 ZIPOZJIMJIYBBF-FUHWJXTLSA-N 407.584 1.903 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1C[C@H]1C[C@H]1C 1539246760 XBTKIIQEPKAPID-SJLPKXTDSA-N 411.531 1.924 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCOCC1 1539285032 ZFUHAVMRKZUPSO-XUVXKRRUSA-N 413.566 1.990 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(CC)CC)n1C[C@]1(O)CCO[C@H]1C 1539290323 DRVRXYFEXSOVGX-HRAATJIYSA-N 401.511 1.199 30 10 HDEE COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)C3(C#N)CC4(CC4)C3)CC2)c1 1539416542 PUVXTKUVCOAOIL-UHFFFAOYSA-N 423.516 1.452 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[C@H]2CCOC2)CC1 1539427381 CTWGLJPKAJALIM-KRWDZBQOSA-N 409.494 1.107 30 10 HDEE C=C(Cl)Cn1c(N2CCn3nc(C)nc3C2)nnc1[C@]1(OC(C)C)CCOC1 1539823423 CKWUDIMFVIVGNI-SFHVURJKSA-N 407.906 1.991 30 10 HDEE C=CCN(Cc1cccs1)c1nnc([C@H]2CCOC2)n1CCNS(C)(=O)=O 1540146355 DPONVVCTAQWOAC-AWEZNQCLSA-N 411.553 1.585 30 10 HDEE C=CCNC(=O)Cn1c(N2CCC[C@H](n3nc(C)nc3C)C2)nnc1C(C)(C)C 1540876000 FBHISRPUMXDWAT-INIZCTEOSA-N 400.531 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)c2c[nH]c3cccc(C#N)c23)CC1 1543388037 MBVPYFSAYXQUJJ-UHFFFAOYSA-N 411.462 1.849 30 10 HDEE CN1C(=O)CO[C@H](C(=O)NC2(c3ccc(C#N)cc3)CCOCC2)[C@H]1c1cccnc1 1544239758 DKPYLRXTWPWYGY-RTWAWAEBSA-N 420.469 1.674 30 10 HDEE CCN1CCN(c2nnc(CC3CC3)n2CCN/C(O)=C2/N=CC=CC2=O)C[C@@H]1C 1547716380 BDJCOWIPHZDIGH-DNTCVELPSA-N 413.526 1.287 30 10 HDEE C=CCOC[C@@H](NC(=O)c1cc2n(n1)CCC[C@@H]2NC(=O)OC(C)(C)C)C(=O)OC 1556375829 TYEPGWQZBOHQQX-DZGCQCFKSA-N 422.482 1.717 30 10 HDEE C#CCOc1ccc(CNC(=O)CCC/N=C2/NS(=O)(=O)c3ccccc32)cc1 1556660704 XQUKQOZUJZZJHO-UHFFFAOYSA-N 411.483 1.834 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)c2cc(Cc3ccccc3)ccc2O)CC1 1558072897 HFYPLAZUXROHHS-UHFFFAOYSA-N 413.499 1.208 30 10 HDEE C#C[C@H]1CC[C@H](NS(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)CC1 1561888525 VSLNOXYYEWICRL-KOMQPUFPSA-N 402.513 1.558 30 10 HDEE C#CCN1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)CC1 1565814697 FAZPNWOQGNLSII-XMMPIXPASA-N 418.497 1.774 30 10 HDEE CCC[C@@H](NC(=O)C1CN(c2ccc(Br)cc2C#N)C1)c1nn[nH]n1 1566227038 KGXULJYWSYNERV-CYBMUJFWSA-N 404.272 1.928 30 10 HDEE N#Cc1cc(Br)ccc1N1CC(C(=O)N[C@H]2CCCN(CCCO)C2)C1 1569251213 UBMFVYAVJDAFSQ-KRWDZBQOSA-N 421.339 1.720 30 10 HDEE CS(=O)(=O)N[C@H]1CCCN(C(=O)Cc2ccc(Br)cc2C#N)C1 1587278865 BVCMLMCFRZBCCL-AWEZNQCLSA-N 400.298 1.403 30 10 HDEE C#CCO[C@@H](C)C(=O)NCc1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 1587295413 NYMVSQLGXHTIOZ-HNNXBMFYSA-N 413.478 1.947 30 10 HDEE C#CCN(c1nnc(C)n1Cc1ccc(OCC2CC2)nc1)[C@@H]1CCS(=O)(=O)C1 1588035636 WIBWJHFPWQRUEY-GOSISDBHSA-N 415.519 1.445 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCN(CC)CC1 1588697107 PYPRGBOSJWARRZ-RBUKOAKNSA-N 404.559 1.242 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCCO3)n2C[C@@H]2CC=CCO2)CC1 1588930187 PHLDWGAAGOWQSY-RBUKOAKNSA-N 413.522 1.831 30 10 HDEE C=CCN(C)c1nnc(CNC(=O)c2cccs2)n1Cc1ccc(C)n(C)c1=O 1594992791 SMOUJQXCBHMKMH-UHFFFAOYSA-N 412.519 1.947 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCCOC2)nnc1N1CCO[C@@H](COC(C)C)C1 1595544410 HUJLSGJXLCSYPI-IAGOWNOFSA-N 407.515 1.105 30 10 HDEE C[C@@H]([C@@H](C)N(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(C#N)o1)S(C)(=O)=O 1596891696 KHIDVVTZLCTXRW-RDBSUJKOSA-N 407.496 1.553 30 10 HDEE C#CCN(C(=O)c1ccc2nc(O)n(CC(F)(F)F)c2c1)[C@@H]1CCS(=O)(=O)C1 1597139349 XKEDEWPCRJZFSI-GFCCVEGCSA-N 415.393 1.567 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N1CC[C@H](CNS(C)(=O)=O)C1 1597204586 YYTGCKXVUBAWSR-HUUCEWRRSA-N 416.544 1.361 30 10 HDEE CC(C)NC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@]2(CCC(=O)N2)C1 1610045753 RXAIXJDLLZQIAY-OAQYLSRUSA-N 407.478 1.200 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1C[C@@H]1CCn2ccnc2C1 1611331149 IIUJAXBNGJEGSX-DOTOQJQBSA-N 418.505 1.976 30 10 HDEE CCO[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@@H]2COCCO2)CCOC1 1616205266 GMRCVNJLDAAAIH-AYOQOUSVSA-N 409.462 1.178 30 10 HDEE C[C@H]1CCc2nc(NC(=O)c3cc4c(=O)n(C)c(=O)n(C)c4n3C)c(C#N)cc2C1 1617371879 YKOVVBRUEUUTHJ-NSHDSACASA-N 406.446 1.219 30 10 HDEE COCC(=O)N(C)CC(=O)N1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F 1618132108 RALBUGRFHGMTCH-HTQZYQBOSA-N 412.277 1.721 30 10 HDEE COC[C@@](C)(C#N)NC(=O)c1cc(C)n(Cc2ccc(S(N)(=O)=O)cc2)c1C 1622328048 KBANBZIPKVENBJ-LJQANCHMSA-N 404.492 1.459 30 10 HDEE C=C(Cl)C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2)C(=O)OCC 1622450798 ZWRCDTOOJDHJGH-HNNXBMFYSA-N 412.895 1.875 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](Cc2nc[nH]n2)c2ccccc2)c1 1625478625 ZTNAYNPUAAUPHR-QGZVFWFLSA-N 413.434 1.955 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)Cc2csc(N3CCOCC3)n2)n1 1626715400 ZJKPZCSMKDWRCR-UHFFFAOYSA-N 403.508 1.027 30 10 HDEE C#CC[C@H](CO)NC(=O)[C@H](CCC)NC(=O)NCc1ccc(Br)cc1 1628849143 AQJCHODXQPEJPC-CVEARBPZSA-N 410.312 1.917 30 10 HDEE C#CCN1CCCN(C(=O)C2([S@](C)=O)CCN(C(=O)OC(C)(C)C)CC2)CC1 1629542178 CDVHTVWSIYFFDF-NDEPHWFRSA-N 411.568 1.302 30 10 HDEE Cc1cc(C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c(C)n1-c1cnccn1 1631745788 ZBKXRKSJJJYVJH-HNNXBMFYSA-N 402.462 1.897 30 10 HDEE C=CCC1(O)CN(C(=O)[C@H](CCSC)NS(=O)(=O)/C=C/c2ccccc2)C1 1634492499 PRCCSPILNXHJRQ-RTGRKSDTSA-N 410.561 1.848 30 10 HDEE C=CCCC(=O)[C@@H]1CCCN1C(=O)C1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 1636627874 SZQCOJYWKGDZPA-KRWDZBQOSA-N 422.551 1.656 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)NCc2cc(Br)no2)c1 1636941930 WNDKPZSENXIYAV-UHFFFAOYSA-N 400.254 1.831 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@H](COC)c1cccc(Cl)c1)c1cc[nH]n1 1637271879 XJZYDMRMDXVIMT-OAHLLOKOSA-N 408.842 1.851 30 10 HDEE C=CCn1c(S)nc2cc(C(=O)NCc3cc(O)nc(S)n3)ccc2c1=O 1638872062 VKEGPUUZOMTIST-UHFFFAOYSA-N 401.473 1.586 30 10 HDEE Cc1c(C(=O)NCc2ccc(C(=O)NO)cc2)nnn1-c1cccc2c1CCN(C)C2 1639590960 GIFLPABUYLOCMD-UHFFFAOYSA-N 420.473 1.613 30 10 HDEE C#CCN(CC(=O)Nc1nn(CCS(=O)(=O)CC)cc1C)C(=O)OC(C)(C)C 1639728315 OEEOANONYWLVJP-UHFFFAOYSA-N 412.512 1.435 30 10 HDEE CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1cc(S(=O)(=O)CC#N)ccc1F 1640314188 CBIATFYYAVMPNA-CYBMUJFWSA-N 411.455 1.816 30 10 HDEE C[C@]1(C#N)CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)C1 1641103296 AYIMPCRJYAHFEV-LJQANCHMSA-N 407.492 1.669 30 10 HDEE Cc1c(Br)c(C)n(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c(=O)c1C#N 1641511106 NPXGDTPCRGYJDP-UHFFFAOYSA-N 409.200 1.283 30 10 HDEE CC(C)(C)OC(=O)CN1CC[C@@H](N2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)C1=O 1643338582 UCBIFGBXEXSIOI-QVKFZJNVSA-N 412.446 1.268 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CC[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 1644285234 LVPHVZKDBIZDIF-IBGZPJMESA-N 421.563 1.410 30 10 HDEE CCOC(=O)CON=C(C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C)c1cc[nH]n1 1644917658 ALKFYJCQCLGUJP-TZMCWYRMSA-N 423.470 1.065 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 1648718163 CFNYOOPYCPGESE-QLFBSQMISA-N 412.483 1.657 30 10 HDEE CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@](C#N)(c2ccccn2)C1 1648719366 LRXAWRXCFIBSHB-IERDGZPVSA-N 416.478 1.922 30 10 HDEE C#CC1(O)CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 1648932296 XLXJGUXBEGVFME-GFCCVEGCSA-N 404.410 1.359 30 10 HDEE C=CC[C@@]1(C(=O)N2CCCN(CC(=O)N(C)C)CC2)CCCN1C(=O)OC(C)(C)C 1651789723 ZRIIRDRYKQKCSR-QFIPXVFZSA-N 422.570 1.955 30 10 HDEE C=CC[C@]1(C(=O)N[C@H](Cc2cnc[nH]2)C(=O)OC)CCCN1C(=O)OC(C)(C)C 1652703364 WXSGKLYIBIHTMS-FOIQADDNSA-N 406.483 1.956 30 10 HDEE N#Cc1cn(C2CN(C(=O)CCc3cc(Br)ccc3F)C2)c(=O)nc1O 1653759714 HQULWZMHDXEUAE-UHFFFAOYSA-N 421.226 1.738 30 10 HDEE CN(CCC#N)C(=O)CCN1C[C@H](c2cnn(C)c2)C[C@@H](C(=O)OC(C)(C)C)C1 1654550174 RGRPLFSBQUTWJN-IAGOWNOFSA-N 403.527 1.929 30 10 HDEE Cc1noc(C[C@@H]2CCCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)n1 1654834428 BFDWQRNVTCOYNF-HNNXBMFYSA-N 403.464 1.009 30 10 HDEE COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1CCS(=O)(=O)c1cccc(C#N)c1 1655052609 WTDWPVOCLTZTJE-KRWDZBQOSA-N 423.535 1.900 30 10 HDEE COC(=O)c1cc(F)cc(S(=O)(=O)N2CCN(c3ccc(C#N)nc3)CC2)c1F 1656772973 FOFNXZZWDXALRD-UHFFFAOYSA-N 422.413 1.529 30 10 HDEE CNC(=O)NC[C@H]1COCCN1CC(=O)Nc1ccccc1SC[C@@H](C)C#N 1659903919 ONRIPFRXTJIVOR-GJZGRUSLSA-N 405.524 1.507 30 10 HDEE C=C(C)C[C@H](NS(=O)(=O)c1cccc(S(=O)(=O)N(CC)CC)c1)C(=O)OC 1663616914 XPYFKGAJMSZSEB-INIZCTEOSA-N 418.537 1.503 30 10 HDEE CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC4(CC3)CC(=O)C=CO4)cc2CC1 1664529225 UBGYHIYRTIXNAX-UHFFFAOYSA-N 418.515 1.660 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)Nc2cc(Br)ccc2F)CC1 1666918460 SFNJIPCGMQBMEN-UHFFFAOYSA-N 419.276 1.205 30 10 HDEE C=CCn1cc(CNC(=O)NCC(=O)Nc2ccc(Br)cc2C)nn1 1675165985 CBVGTDNRTWQBLS-UHFFFAOYSA-N 407.272 1.973 30 10 HDEE Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CCN(C(=O)NCC#CCO)CC1 1675461174 NWIFKRUJDXFGGJ-UHFFFAOYSA-N 421.563 1.613 30 10 HDEE CCS(=O)(=O)C1(CNC(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 1680024188 BVKYUOSWMJORHO-MRXNPFEDSA-N 404.492 1.320 30 10 HDEE N#C[C@]12CN(C(=O)N[C@H](Cc3ccccc3)c3ccccn3)C[C@H]1CS(=O)(=O)C2 1685624095 CRZWTPBJZCJYAC-FBBABVLZSA-N 410.499 1.945 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](NC(=O)NCC2(O)CCC3(CC2)OCCO3)[C@H](C#N)C1 1686054726 CHXIMIHSKOXPNS-HUUCEWRRSA-N 424.498 1.093 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1Cc2cc(Br)cnc2NC1=O 1686315562 RQCWPMAUNWWPDI-GDLCADMTSA-N 409.284 1.988 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2ccc3c(c2)OCO3)n1CCCNS(C)(=O)=O 1689842535 CKRZUUVLFRNTNG-CYBMUJFWSA-N 405.480 1.071 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1Cc1ccn(C)n1 1689999402 ACQFOQSZHPHOOP-UHFFFAOYSA-N 421.892 1.716 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2COc3ccccc3O2)n1CCCc1cnn(C)n1 1690019520 KTLKVHXRUXCHOL-FQEVSTJZSA-N 417.473 1.625 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[C@H]2CCCCO2)CC1 1690146217 IMGVZKRCKOCAKK-RBUKOAKNSA-N 415.538 1.707 30 10 HDEE C=C(C)COCCn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@]2(CCOC2)C1 1690319461 NQOVWEHEXDBJGP-OAQYLSRUSA-N 416.526 1.728 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCc2ccccc2[C@@H]1C 1690655426 UKNOTDMVYWGSRC-INIZCTEOSA-N 408.506 1.940 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCN(c2cc(C#N)ccn2)CC1 1690659500 VGINPGLAWGOYOE-INIZCTEOSA-N 408.510 1.687 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H]2COCCO2)C1 1690714145 GFCTZPVHJMBAHU-MLHJIOFPSA-N 408.499 1.199 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O 1690744975 VLIYAZXKHMAHQQ-RRFJBIMHSA-N 402.586 1.959 30 10 HDEE C[C@@H](CC(N)=O)N(C)c1nnc(-c2cccc(C#N)c2)n1CCCC(=O)NC1CC1 1692668577 DRKDCSKBIOAXET-AWEZNQCLSA-N 409.494 1.576 30 10 HDEE CNS(=O)(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N(C)CCC(F)(F)F 1697021921 AGEWWDZBCKJVKT-UHFFFAOYSA-N 416.429 1.755 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)C[C@@H](C)C1 1705534138 AEZZADVJHFTYMU-ZACQAIPSSA-N 409.556 1.507 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccc(Cl)cc2OC)n1CCS(=O)(=O)NC 1705577275 XGQARXISPDTZAY-UHFFFAOYSA-N 421.910 1.229 30 10 HDEE C#CCN(CC#C)c1nnc(Cn2ccc3ccccc32)n1C[C@@]1(O)CCO[C@H]1C 1705584933 DMFFGUASKIWPDG-MBSDFSHPSA-N 403.486 1.894 30 10 HDEE C#CCN(CC)c1nnc([C@@H]2CCC(=O)N2)n1CCCS(=O)(=O)c1ccccc1 1705611795 PNMPVUNSYGKWRD-KRWDZBQOSA-N 415.519 1.553 30 10 HDEE C#CCN(CCOC)c1nnc(-c2cc(Br)c[nH]2)n1CC(=O)N(C)CC 1705622245 BZWZSPPABLZKAF-UHFFFAOYSA-N 423.315 1.600 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC1(C)C 1705674866 SPAGCWPUQZQCQB-TWOQFEAHSA-N 421.567 1.649 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(CCOc2ccccc2)n1C[C@]1(O)CCN(C)C1 1705676930 UWBSGOJFSGLLBV-PKTZIBPZSA-N 409.534 1.958 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[C@@H]1COCCO1 1705710864 SIXNNDPHONQXHP-HUUCEWRRSA-N 401.533 1.096 30 10 HDEE C=CCNC(=O)Cn1c([C@@H](C)CC)nnc1N1CCC(NS(=O)(=O)CC)CC1 1705894945 OSZCYIIXBOCGGD-AWEZNQCLSA-N 412.560 1.002 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@H](c2cnn(C)c2)C1 1705906179 WDWQNVYYJOIFTK-INIZCTEOSA-N 411.535 1.960 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCCCO2)nnc1N(C)Cc1cnn(C)c1C 1705936671 WDKKOJHOBHSAAX-KRWDZBQOSA-N 422.555 1.799 30 10 HDEE CC(=O)NCCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCO[C@H](C#N)C1 1706060703 BHMNZTGENBDSDI-QAPCUYQASA-N 412.450 1.046 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@](F)(C#N)C3)n2CC[C@H]2COCCO2)CCOC1 1706672475 OZJSOZALUNUXIJ-FFZOFVMBSA-N 423.489 1.566 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[C@@](F)(C#N)C2)n1CCCC(=O)N(C)C 1712639969 QSJJDEJXVSVCST-URLQWDBASA-N 408.478 1.312 30 10 HDEE C#CCN(c1nnc(-c2cccnc2)n1Cc1ncccc1C)[C@H]1CCS(=O)(=O)C1 1722360187 DTMZANVBAJMEAO-SFHVURJKSA-N 422.514 1.719 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(C3CC3)n2C[C@@]2(O)CCO[C@H]2C)n1 1722430178 ZTCRXTIRNDFVEE-KKSFZXQISA-N 414.510 1.178 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)Nc1ccc(F)cc1 1722446545 CYHVAOCDYMEYRW-INIZCTEOSA-N 414.441 1.093 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(CC3CC3)n2CC[C@H]2COCCO2)CC1 1722450135 YLGZRIXWJYBVAJ-SFHVURJKSA-N 401.511 1.002 30 10 HDEE C#CCSCCn1c(-c2cccc([N+](=O)[O-])c2)nnc1N(C)[C@H](C)CC(N)=O 1722453670 BSEULAPAJMBZJU-CYBMUJFWSA-N 402.480 1.920 30 10 HDEE C#CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC2(CCN(C)C2=O)CC1 1722459110 CKYQRUFTICAOJN-QGZVFWFLSA-N 417.579 1.987 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1CCS(=O)(=O)NC(C)C 1722474530 ONBALLVKDBPBQO-VQIMIIECSA-N 409.556 1.840 30 10 HDEE C=C(Br)Cn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](C(=O)OC)C1 1722476626 CMXNYFVUMFJOGA-GFCCVEGCSA-N 412.288 1.422 30 10 HDEE C=CCCOCCn1c(Cn2nc(C)cc2C)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1722628377 BETTYEYLSYYTHU-QZTJIDSGSA-N 413.526 1.447 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC)C1 1722714803 LXJQABWQCMUGCT-INIZCTEOSA-N 415.494 1.880 30 10 HDEE C#CCCCCn1c([C@@H]2CCCOC2)nnc1N1CCC(NC(=O)COC)CC1 1740574471 FXQAXHWHGMUMIS-QGZVFWFLSA-N 403.527 1.707 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1C[C@H]1CCCN1CCCO 1740603851 IGMUHFDOBPKBJX-GOSISDBHSA-N 413.522 1.879 30 10 HDEE C#CCN(c1nnc(CC)n1C[C@]1(C)CCO[C@H]1C1CC1)[C@H]1CCS(=O)(=O)C1 1740625453 FOIMZLJNNCHQRF-QRFRQXIXSA-N 406.552 1.672 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H]2CCCN2C[C@@H]1C 1740795572 XXBAXNSUVITKEJ-RCCFBDPRSA-N 423.583 1.446 30 10 HDEE C=CCn1c(N(C)Cc2ncnn2CC(F)F)nnc1[C@]1(OC(C)C)CCOC1 1740950182 UKRKQHVVYJKTTM-SFHVURJKSA-N 411.457 1.998 30 10 HDEE C=CCNC(=O)Cn1c(N2CCS[C@H](C)C2)nnc1[C@@]1(OC(C)C)CCOC1 1740966373 YBDLKQWEXNSNEZ-DNVCBOLYSA-N 409.556 1.563 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC2([S@@](C)=O)CCC2)C1 1740975344 BDQPQORODBIHBS-DEXQXJORSA-N 404.540 1.761 30 10 HDEE C=CCSCCn1c([C@H]2CCC(=O)N2)nnc1N(C)C[C@@H]1CCN(C(C)=O)C1 1741001311 QWLNOOUGMJTHDF-JKSUJKDBSA-N 406.556 1.453 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@]2(OCC)CCOC2)n1C[C@@H](C)N1CCN(CC)CC1 1748641320 FJVJOXNZQYSETC-JQVVWYNYSA-N 418.586 1.414 30 10 HDEE C#CCN(C)c1nnc(-c2cnn(-c3ccccc3)c2)n1CCCc1cnn(C)n1 1748783190 HBVIUYYJMIBZGQ-UHFFFAOYSA-N 401.478 1.962 30 10 HDEE C#CCN(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CC[C@@H]1COCCO1 1748784378 LVQKZNLRYVMKFY-OAHLLOKOSA-N 418.523 1.113 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C 1748789734 BIDAXSSQRCLTNW-MSOLQXFVSA-N 407.584 1.760 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N(C)C)CCOCC1 1748874670 BVRWPJDTGTUAMC-OALUTQOASA-N 415.538 1.186 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1c1nncn1C 1749666665 PHIRRWSOEBYRKP-MRXNPFEDSA-N 407.482 1.421 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccnc3)n2CCS(=O)(=O)CC=C)C1 1749706958 SGTNECGTTYGRGH-KRWDZBQOSA-N 403.508 1.722 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cccc([N+](=O)[O-])c2)n1CCS(=O)(=O)NC(C)C 1760103753 LLHUCOQOMTWQPP-AWEZNQCLSA-N 420.495 1.639 30 10 HDEE C#Cc1cccc(NC(=O)CN(C)c2nnc([C@@H]3CCCCO3)n2CCC(=O)NC)c1 1760128633 OAHRIHFZHGTKOP-SFHVURJKSA-N 424.505 1.712 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1C[C@@]1(O)CCS(=O)(=O)C1 1760236519 YPYGZPDVAZBGJK-IBGZPJMESA-N 406.483 1.017 30 10 HDEE C=CCN(c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H]1CCc2nccn2C1)C1CC1 1760471349 SXGPPMKICDUWDP-GJZGRUSLSA-N 419.555 1.502 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H]2CCCCO2)C1 1760543057 MMEQSXGUFXKWBJ-FGTMMUONSA-N 424.567 1.921 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CC[C@@H](CC)C1 1760557815 WZPLSZZDPPRDGA-QGZVFWFLSA-N 406.556 1.977 30 10 HDEE C=CCS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N(C)[C@@H]1CCOC1 1760557947 BBVQNHQVIGWYRD-OAHLLOKOSA-N 424.498 1.822 30 10 HDEE CCCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1764568246 AXIMXGGQHBOELK-ZWKOTPCHSA-N 421.505 1.590 30 10 HDEE CN(C)CCOCCn1c(-c2cccn2C)nnc1N1CCN(C2CC2)[C@H](C#N)C1 1766932899 SDYMPDYLADDHAD-GOSISDBHSA-N 412.542 1.038 30 10 HDEE COC[C@@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1C[C@@H](O)[C@H](CC(=O)OC)C1 1769272940 QVMVNDPVSHWWIX-IXDOHACOSA-N 417.441 1.161 30 10 HDEE CS[C@H](C)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@](C)(C#N)C1 1770410927 APQJLBNYZXFYCZ-DVOMOZLQSA-N 400.574 1.770 30 10 HDEE CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](F)(C#N)C2)CCC1 1770456168 AKUDSOYVWCSYMN-SWLSCSKDSA-N 416.548 1.616 30 10 HDEE Cc1ccc([C@@H]2[C@H](C(=O)N3CCN(c4nccc(C#N)n4)CC3)CC(=O)N2C)cc1 1851112000 KGXVSWXUKNERCK-UYAOXDASSA-N 404.474 1.525 30 10 HDEE CS(=O)(=O)CCCN1CCN(C(=O)c2cn3cc(C#N)cc(Cl)c3n2)CC1 1852103849 YYIPZLPWAIRELZ-UHFFFAOYSA-N 409.899 1.052 30 10 HDEE CO[C@H](C)C(=NOCCCN1CCCC1)NS(=O)(=O)c1ccc2c(c1)CC(=O)N2 1853406497 IOUZQUBNXPCJQX-CQSZACIVSA-N 424.523 1.310 30 10 HDEE C=CCN(Cc1cn(Cc2ccccc2)nn1)C(=O)[C@H]1CCc2nn(C)c(=O)cc2C1 1853412424 ABIMGCPCKVAIGD-SFHVURJKSA-N 418.501 1.740 30 10 HDEE CCC(=O)N1CC[C@@H](C(=O)N2CCN(Cc3ccc(C#N)s3)C(C)(C)C2=O)C1 1853676787 VXNCHHSICZBDKX-CQSZACIVSA-N 402.520 1.828 30 10 HDEE C=CCCN1CCN(C(=O)[C@@H]2CC(=O)N(C3CCOCC3)C2)C(=O)C12CCCC2 1853786330 XYWVTSYQDMOYEP-QGZVFWFLSA-N 403.523 1.574 30 10 HDEE Cc1cccc(OCC(=O)O[C@H]2CON(S(=O)(=O)c3ccc(C#N)cc3)C2)c1 1853849540 PZSRVLAVQPERQD-QGZVFWFLSA-N 402.428 1.793 30 10 HDEE Cc1ncc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2=O)c(C)c1C 1854038065 NPLSECHLALIOJU-UHFFFAOYSA-N 412.471 1.552 30 10 HDEE Cc1cc(C)n2nc(C(=O)N3CCN(Cc4ccc(C#N)cc4F)CC3=O)nc2n1 1854301162 FTRBVUMDPUZMMS-UHFFFAOYSA-N 407.409 1.237 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2ccc(-n3cnnn3)cc2)C(=O)C12CCCC2 1854506182 WGWUKJCFRYIZKM-MRXNPFEDSA-N 407.478 1.952 30 10 HDEE C=CCCN(C)[C@@H]1CCCN(C(=O)[C@@H](C)N2C(=O)c3ccccc3S2(=O)=O)C1=O 1854696910 VRLGROPAKSLDLN-GDBMZVCRSA-N 419.503 1.245 30 10 HDEE Cn1nccc1C(=O)N1CC[C@@H](N2CCC(COc3ncccc3C#N)CC2)C1=O 1854868318 WMFLULFTEKACRV-GOSISDBHSA-N 408.462 1.219 30 10 HDEE CC(C)Cn1cc(CN(C)[C@@H]2CCN([C@@H]3CCCN(C(=O)CC#N)C3=O)C2)cn1 1854996303 OGJXKNVDFGUPCD-RTBURBONSA-N 400.527 1.476 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1cccnc1 1855034095 FTZGGTHKAYAZEV-HNNXBMFYSA-N 412.471 1.334 30 10 HDEE C[C@@H]1C(=O)N(C(=O)c2nnn(C)c2C(F)F)CCN1Cc1ccc(C#N)cc1F 1855057153 KTIHKQKXFGXBEN-SNVBAGLBSA-N 406.368 1.637 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](C3CCN(Cc4cccnc4)CC3)CC2=O)CC1=O 1855116000 RAWOCNRXUXXXDE-UXHICEINSA-N 410.518 1.703 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C[C@H](CN(C)CCc3scnc3C)CC2=O)CC1=O 1856143815 ADOYNDJUPZUISC-HOTGVXAUSA-N 404.536 1.335 30 10 HDEE COc1cccc2sc(N3CC(C(=O)N4CCN(CCC#N)[C@H](C)C4=O)C3)nc12 1856189721 UROONNVNTWBNQZ-CYBMUJFWSA-N 413.503 1.714 30 10 HDEE Cc1cc(S(=O)(=O)N2CCC([C@@H]3CN(C(=O)CC#N)C(=O)O3)CC2)ccc1F 1856212204 QLBRKDDQADRXHJ-INIZCTEOSA-N 409.439 1.796 30 10 HDEE CCn1nccc1C(=O)N1CCN([C@@H]2CCN(Cc3ccc(C#N)s3)C2)CC1=O 1856307472 UORAFOMJDCLVSW-OAHLLOKOSA-N 412.519 1.395 30 10 HDEE Cn1nc(C(=O)N2CC[C@H](N3CCC4(CC3)C[C@@H]4C#N)C2=O)cc1-c1cccnc1 1856519086 VSPZJDCZOJIEOU-AEFFLSMTSA-N 404.474 1.849 30 10 HDEE CC(=O)[C@H](C(=O)N(C)C)N1CC(=O)N(C(=O)c2cccc(C#N)c2)c2ccccc21 1856733610 YNRKHTGLAMTPMP-HXUWFJFHSA-N 404.426 1.597 30 10 HDEE N#CCC1CCN(C[C@@H]2CCC(=O)N(C(=O)Cn3cnc(C4CC4)cc3=O)C2)CC1 1856984256 XTYLCJHJDRDFBL-KRWDZBQOSA-N 411.506 1.512 30 10 HDEE N#Cc1cccc(C(=O)Oc2cccc3c2C(=O)N(CCN2CCOCC2)C3=O)c1 1865799428 NMRITGWVKMPRTF-UHFFFAOYSA-N 405.410 1.706 30 10 HDEE N#Cc1cccc(NC(=O)[C@@H](CO)NC(=O)c2cc(-c3ccc(F)c(F)c3)[nH]n2)c1 1867094520 CLCRTHHTQUFMJN-GOSISDBHSA-N 411.368 1.956 30 10 HDEE C=CCn1cc(OCC(=O)Nc2ccc(OC)cc2)c(=O)cc1CN1CCOCC1 1870740304 QLNGBLBKKSEKHZ-UHFFFAOYSA-N 413.474 1.893 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2cc(NC(C)=O)ccc2C)[nH]1 1871623191 VDVCJSBAJDZSDQ-UHFFFAOYSA-N 411.510 1.699 30 10 HDEE C=CCNC(=O)CNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(OC)cc2)CC1 1873841472 VGYDQAAAPRGNRV-WKILWMFISA-N 423.535 1.198 30 10 HDEE C=CCNC(=O)NC(=O)CN1CCC12CCN(C(=O)OCc1ccccc1)CC2 1883853878 HCPOUAIGIOXCLO-UHFFFAOYSA-N 400.479 1.875 30 10 HDEE CCOc1ccc(-n2nnnc2CN2CCN(C(=O)c3cccc(C#N)c3)CC2)cc1 1891327307 IXVMHUSXTAYQMI-UHFFFAOYSA-N 417.473 1.891 30 10 HDEE Cc1cc(C)n(-c2ccc(C(=O)N3CCC(COc4nccnc4C#N)CC3)nn2)n1 1891515161 ZCJBJOCZFUCXLV-UHFFFAOYSA-N 418.461 1.872 30 10 HDEE N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 1891599349 NLXSQUFPDAHCCB-UHFFFAOYSA-N 401.444 1.957 30 10 HDEE COC(=O)c1ccc(S(=O)(=O)N2CCC(COc3nccnc3C#N)CC2)cc1 1892075016 ZARKXSKSLMXUEE-UHFFFAOYSA-N 416.459 1.615 30 10 HDEE C=C(Br)CS(=O)(=O)N[C@H]1[C@H]2OCC[C@H]2[C@H]1NC(=O)OC(C)(C)C 1982297844 IYYADLUAURUNNN-QCNOEVLYSA-N 411.318 1.495 30 10 HDEE C=C(CNC(=O)C1CC(O)(CNC(=O)OC(C)(C)C)C1)B1OC(C)(C)C(C)(C)O1 1991969602 NGSXNEWIMSNIPS-UHFFFAOYSA-N 410.320 1.956 30 10 HDEE C#CCNC(=O)CCNC(=O)[C@]1(C)C[C@H](OC)CN1C(=O)OCc1ccccc1 2132083456 KLXOOQNXUJUXAZ-UWJYYQICSA-N 401.463 1.058 30 10 HDEE COC(=O)CCS(=O)(=O)N(C)Cc1sccc1B1OC(C)(C)C(C)(C)O1 2157044940 CNHHXXNVBHVTTL-UHFFFAOYSA-N 403.331 1.372 30 10 HDEE Cn1cc(C(=O)NC2CN(C(=O)OC(C)(C)C)C2)c(B2OC(C)(C)C(C)(C)O2)n1 2243419073 QXEPMJHVVDAGQD-UHFFFAOYSA-N 406.292 1.068 30 10 HDEE CN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cn1C 2243431017 AUPCXWLZMVVDQO-UHFFFAOYSA-N 407.320 1.921 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(NC(=O)c2cc(B3OC(C)(C)C(C)(C)O3)n[nH]2)C1 2247825738 IZLGZVVUDSKYMB-MPBGBICISA-N 418.303 1.448 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3C[C@H]4C[C@H]3CN4Cc3ccccc3)[nH]n2)OC1(C)C 2247826819 ADYVPNVGNSRPSL-SJORKVTESA-N 408.311 1.808 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]2C(NC(=O)c3n[nH]cc3B3OC(C)(C)C(C)(C)O3)[C@@H]2C1 2247830050 XCGWKJNNPPZKQD-VXGBXAGGSA-N 418.303 1.304 30 10 HDEE CNC(=O)CN(Cc1ccccc1)C(=O)c1ccncc1B1OC(C)(C)C(C)(C)O1 2247901193 GSMVTYOSWUIHRY-UHFFFAOYSA-N 409.295 1.769 30 10 HDEE C[C@H](NC(=O)OC(C)(C)C)[C@H](O)C(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1 2248401058 FDVBDGAQGBFMJZ-WFASDCNBSA-N 421.303 1.593 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1C(=O)NCCONC(=O)OC(C)(C)C 2248967595 ALKIWOMTQMTOKV-UHFFFAOYSA-N 421.303 1.875 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N3C[C@](C)(O)CO3)cc2Cl)OC1(C)C 2267355860 WBZBWEVTEURXBW-AWEZNQCLSA-N 409.722 1.388 30 10 HDEE CC1(C)OB(c2cc(C(=O)NCCO[C@@H]3CCNC3)sc2Cl)OC1(C)C 2281964469 YOZCRUNVQSKPPP-LLVKDONJSA-N 400.737 1.809 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NCCCS(=O)(=O)C(F)F)OC1(C)C 2282031720 WMLIVMDULMPYMX-UHFFFAOYSA-N 410.273 1.200 30 10 HDEE Cc1sc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)N[C@H](CO)C(F)(F)F 2282312984 DWDNSWGTBVYOOG-SNVBAGLBSA-N 415.264 1.557 30 10 HDEE Cc1cc(S(=O)(=O)N2CC[C@@H](N)[C@@H](C)C2)sc1B1OC(C)(C)C(C)(C)O1 2282322759 QJPZHUFVMCEDJM-QWHCGFSZSA-N 400.375 1.714 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H]3CO)c(Cl)c2)OC1(C)C 2282499112 AHIPZCRCYKQPGB-ZDUSSCGKSA-N 401.721 1.785 30 10 HDEE CN(CC1(N)CC1)S(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1 2282874263 YAGUMLPMDJNXCA-UHFFFAOYSA-N 400.737 1.751 30 10 HDEE C[C@@H](CNS(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)N1CCC1 2282878619 IMYQVBAFRGRZGP-ZDUSSCGKSA-N 400.375 1.561 30 10 HDEE CN(C1(CC(=O)O)CC1)S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2284403999 UZGQEYNIKLAZSW-UHFFFAOYSA-N 401.315 1.675 30 10 HDEE C[C@@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2sccc2B2OC(C)(C)C(C)(C)O2)C1 2284414808 KABXMQROSTYBCT-ZYHUDNBSSA-N 401.315 1.531 30 10 HDEE N#C[C@H]1C(=O)Nc2nc(N3CCC(C(N)=O)CC3)nc(O)c2[C@@H]1C=Cc1ccccc1 2293261917 ONYIBFDOIKZNMM-HZPDHXFCSA-N 418.457 1.773 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N1CC[C@@H](O)C[C@@H]1C(F)(F)F)C(F)(F)F 2294643603 UPGSXDFWJCMTHV-KCRUCZTKSA-N 404.229 1.900 30 10 HDEE CCn1nnc(Br)c1CNC(=O)C#C[C@H](C)NC(=O)OC(C)(C)C 2302421324 REVNRXNCSQHJOS-JTQLQIEISA-N 400.277 1.593 30 10 HDEE C[C@H](C(=O)O)N(Cc1ccccc1)C(=O)c1nn(C)nc1B1OC(C)(C)C(C)(C)O1 2302855286 SJUPHHCOKPHDDK-CYBMUJFWSA-N 414.271 1.230 30 10 HDEE COc1cc(OC)c(OC)cc1C=Nn1c(CC(C)C)nnc1SCC(N)=O 2331445206 SSZIOUOJBHKKPJ-UHFFFAOYSA-N 407.496 1.962 30 10 HDEE CCN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@@H]1COCCN(C(=O)OC(C)(C)C)C1 2365195748 FEFXFRXUBKHVAD-HOTGVXAUSA-N 402.557 1.675 30 10 HDEE CN[C@@H](C#CC(C)(C)S(C)(=O)=O)[C@H](O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C 2365202451 DUVVRYKIYCYCNC-YZVOILCLSA-N 402.557 1.552 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@@H](N)C#CC(C)(C)S(C)(=O)=O 2365206331 GHUUFUZRPWGDPP-QMTMVMCOSA-N 402.557 1.681 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](C)(O)[C@@H]1CCN1C(=O)OC(C)(C)C 2367809117 KAVKGSOMJWJJSL-RVKKMQEKSA-N 400.541 1.306 30 10 HDEE CN[C@H](C#CP(C)(C)=O)[C@@H](O)[C@@H]1N(C(=O)OC(C)(C)C)CC12CCOCC2 2381076663 BWIRLFLGIODKCV-OAGGEKHMSA-N 400.456 1.935 30 10 HDEE COc1ccc(OC)c(S(=O)(=O)NN=Cc2cn(CC(N)=O)c3ccccc23)c1 15934113 GAFUNMBZUCBEET-UHFFFAOYSA-N 416.459 1.456 30 10 HDEE C[C@H](C(=O)Nc1sc2c(c1C#N)CCC2)N1CCN(CC(=O)N2CCCC2)CC1 29389009 GDLFUXZYIRYNOB-OAHLLOKOSA-N 415.563 1.675 30 10 HDEE N#Cc1cnn2c(O)cc(CSc3nc4ccccc4c(=O)n3CCCO)nc12 46850159 NPNONHPOVUNGOC-UHFFFAOYSA-N 408.443 1.691 30 10 HDEE N#C[C@H]1CNCCN1S(=O)(=O)c1cc(Br)sc1Br 97999152 WDUIXWHJWSKYTR-LURJTMIESA-N 415.132 1.759 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N3CCC[C@H](Oc4nccnc4C#N)C3)CC2=O)cc1 238843514 HZPXPTBQLYVBRO-QAPCUYQASA-N 421.457 1.780 30 10 HDEE CCN1CC[C@H](NS(=O)(=O)N2CCO[C@@H](C#N)C2)[C@@H]1c1ccc(Cl)c(F)c1 409481742 BLFKRTKPBMRAOU-JQFCIGGWSA-N 416.906 1.673 30 10 HDEE Cc1nc(CN2CCN(S(=O)(=O)c3ccc(C(F)(F)F)c(C#N)c3)CC2)n[nH]1 409509600 XMVJGFFGDNYXGD-UHFFFAOYSA-N 414.413 1.510 30 10 HDEE C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC3(CC#N)CC3)cc2)C1 430354811 FRVOFFAETRNYGC-OAHLLOKOSA-N 418.519 1.856 30 10 HDEE C=CCN1C(=O)C(=O)N(CC(=O)Nc2c(C)cccc2-c2nnnn2[C@@H]2C[C@H]2C)C1=O 436847565 QQVMBCILAIUXIX-TZMCWYRMSA-N 423.433 1.145 30 10 HDEE C=C(C)Cn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1C[C@@H](C(N)=O)CC[C@H]1C 460388696 QWFOWTMVMVBRCN-CABCVRRESA-N 421.505 1.858 30 10 HDEE C[C@H]1CN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)CC[C@H]1N1CCN(C)CC1 462086713 WFKLNCRHUALNFR-QFBILLFUSA-N 408.510 1.629 30 10 HDEE C=CCN1CC[C@H](N(C)C(=O)[C@@H](NC(=O)NCc2ccc(F)cc2)C(C)C)C1=O 467679549 ZFXUOSKWOWUVLJ-ROUUACIJSA-N 404.486 1.895 30 10 HDEE N#Cc1ccc(C[C@@H](C#N)C(=O)N2CC(S(=O)(=O)N3CCc4ccccc43)C2)cc1 472512161 DYVCEMXREDHMSU-IBGZPJMESA-N 420.494 1.844 30 10 HDEE N#Cc1cccnc1N1CCN(S(=O)(=O)c2cnn(CC(F)(F)F)c2)CC1 475548243 NSQLHCWVNNOUKE-UHFFFAOYSA-N 400.386 1.223 30 10 HDEE C=CCOC[C@H](NC(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)C(=O)OC 481784333 HYZHWSFFXGSEMI-WMZOPIPTSA-N 406.454 1.467 30 10 HDEE Cc1nccc(N2CCN(C(=O)N[C@H]3CCN(Cc4ccc(C#N)cc4)C3=O)CC2)n1 488260448 GEVWVZSPGZIDTM-IBGZPJMESA-N 419.489 1.289 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)c3ccc(-n4cnnn4)cc3Cl)C2=O)cc1 489220886 QJNJVAQOLCFSRJ-SFHVURJKSA-N 421.848 1.718 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)CC1 492421554 XLVURSMJCXLOGH-UHFFFAOYSA-N 417.897 1.769 30 10 HDEE C=CCCc1ccccc1NC(=O)C(=O)NCc1cccc(S(=O)(=O)NC)c1 505836249 CMWWKROFSKTTIK-UHFFFAOYSA-N 401.488 1.968 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc(-c3cc(-c4ccccc4)on3)n2C)CC1 508520115 JYDDEWIURUGFLO-UHFFFAOYSA-N 407.478 1.561 30 10 HDEE C=CCn1c([C@H]2COCCO2)nnc1N1CCN(c2ccccc2[N+](=O)[O-])CC1 508827084 PTVGCUAYTOMUDQ-QGZVFWFLSA-N 400.439 1.787 30 10 HDEE N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCO[C@]3(CCCOC3)C2)CC1 510641913 WNNKPKYNIHXDFE-FXAWDEMLSA-N 404.536 1.338 30 10 HDEE N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)CN2CCO[C@@H](C(=O)C3CC3)C2)CC1 514202335 WDTGLTVHUCGYDO-VQTJNVASSA-N 414.481 1.214 30 10 HDEE CCN1CC[C@H](CNC(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 521719736 KHTBJVOJWATOSY-QGZVFWFLSA-N 404.536 1.417 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 522842238 MDPZFOHKRSATAK-SFHVURJKSA-N 415.538 1.532 30 10 HDEE N#Cc1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)cn3)CC2)c(Cl)c1 537386559 CMBMIGUGEZUEQW-UHFFFAOYSA-N 405.867 1.216 30 10 HDEE C=CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1 539267547 IXVYCCLQNVXTHX-UHFFFAOYSA-N 411.437 1.424 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCO[C@H](C(C)C)C1 549691526 IOVBTIZQYSIXES-JKSUJKDBSA-N 413.544 1.048 30 10 HDEE C=CCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2Cc2cccs2)CC1 555433440 ZXGUVRXISXWONV-INIZCTEOSA-N 416.551 1.316 30 10 HDEE CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N(CC)CCC#N 564316850 ZRLONKYFGZRVFU-UHFFFAOYSA-N 408.524 1.397 30 10 HDEE C=CCn1c(Cc2noc(-c3cnc4cnccc4c3)n2)nnc1N1CCOCC1 578468280 GMZFJFHKOIIKOE-UHFFFAOYSA-N 404.434 1.885 30 10 HDEE N#CCc1cccc(S(=O)(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1 588139290 XCGMNIIVKNGPBT-IAGOWNOFSA-N 411.483 1.950 30 10 HDEE Cc1ccc(C=c2sc(=C(C#N)C(=O)N3CCCC3)n(C[C@H]3CCCO3)c2=O)o1 603798798 NUBPKFFCKFSJBD-MRXNPFEDSA-N 413.499 1.116 30 10 HDEE C=CCNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C[C@H]1CCCO1 603799741 VMGFPKYJHSCAQP-QGZVFWFLSA-N 409.511 1.203 30 10 HDEE N#Cc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(F)c1 609233699 SQATYEXXFHAKJH-UHFFFAOYSA-N 409.464 1.617 30 10 HDEE CCn1c(O)nnc1C1CCN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)CC1 610775210 MJJLQKSMXDKRPB-UHFFFAOYSA-N 420.477 1.879 30 10 HDEE O=C1c2ccccc2C(=O)N1CCS(=O)(=O)Nc1cccc(C#CCCO)c1F 703975145 UOAXPNZATTYHTJ-UHFFFAOYSA-N 416.430 1.598 30 10 HDEE CC(C)CN1CCO[C@H](CNC(=O)COC(=O)c2cc3ccccc3n2CC#N)C1 729767709 SGBZVOOMNBBWIC-GOSISDBHSA-N 412.490 1.795 30 10 HDEE CCNC(=O)[C@@H](C)N1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccccc1 730139670 CDGBYEQENUKHAE-ZBFHGGJFSA-N 419.551 1.211 30 10 HDEE N#C[C@H]1CN(Cn2nc(-c3ccco3)n(CCC(N)=O)c2=S)CCN1C1CC1 732672613 KXQBXFQZJHTSGT-AWEZNQCLSA-N 401.496 1.179 30 10 HDEE COc1ccc(CNC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)cc1C#N 746775095 GEFBRNJEKCRDDT-UHFFFAOYSA-N 412.450 1.329 30 10 HDEE C#CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2cc(F)c(F)c(F)c2)c1=O 758075993 ONXVWAPVRVTELE-UHFFFAOYSA-N 402.397 1.833 30 10 HDEE N#C[C@@H](C(=O)CN1CC[C@H](C(N)=O)c2ccccc21)c1nc(O)c2ccccc2n1 759469742 CBFSAIHUSYQSCC-HOCLYGCPSA-N 401.426 1.991 30 10 HDEE N#C[C@@H]1CN(C(=O)NCc2ccc(N3CCCS3(=O)=O)cc2)CCN1C1CC1 763702763 WZVPKZKGXGEYTJ-GOSISDBHSA-N 403.508 1.108 30 10 HDEE Cn1cc(S(=O)(=O)NN=C2CCCC[C@H](c3ccccc3)C2)c(=O)n(C)c1=O 765584467 OIQAUSSPRZVFJT-HNNXBMFYSA-N 404.492 1.466 30 10 HDEE C#CCN(C(=O)NC1CCN(CCc2ccccc2)CC1)[C@H]1CCS(=O)(=O)C1 774165886 XNGIUYWIQKMWGB-FQEVSTJZSA-N 403.548 1.525 30 10 HDEE C#CCN(C(=O)NCc1nn(-c2ccccc2)c2c1CCC2)[C@H]1CCS(=O)(=O)C1 774178278 KTSNVFQYGIGYDG-KRWDZBQOSA-N 412.515 1.693 30 10 HDEE CN1C(=O)CCc2cc(C=c3sc(=C(C#N)C#N)n(C[C@@H]4CCCO4)c3=O)ccc21 774520209 FZIBREMFKOVKSJ-KRWDZBQOSA-N 420.494 1.024 30 10 HDEE COc1ccc(S(=O)(=O)Nc2ncccc2C#N)c(NS(=O)(=O)C(F)F)c1 776310383 CWTFZQPUMBJBBA-UHFFFAOYSA-N 418.403 1.727 30 10 HDEE C#CCN(C(=O)c1cc(Br)c(C)nc1OC)[C@H]1CCS(=O)(=O)C1 776837591 HJDVOMMADCVDLQ-NSHDSACASA-N 401.282 1.424 30 10 HDEE CCN1CCN(c2ccc(C(=O)NS(=O)(=O)CC3(C#N)CCCC3)cc2)CC1 779320912 GIZAJIAURKGRCP-UHFFFAOYSA-N 404.536 1.972 30 10 HDEE N#Cc1ccc([C@H](O)C(=O)NCc2ccccc2CS(=O)(=O)N2CCCC2)cc1 780995445 MJCJINBASVNCNG-FQEVSTJZSA-N 413.499 1.834 30 10 HDEE CC(=NNC(=S)NCCN1CCOCC1)c1c[nH]ccc1=NC(=O)OC(C)(C)C 783512207 WCRPFJVVWXWBQZ-UHFFFAOYSA-N 422.555 1.371 30 10 HDEE Cc1cc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc2cccnc12 783942686 MHBYUEMPHYGTJN-GOSISDBHSA-N 402.479 1.972 30 10 HDEE N#CCn1cc(NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)cn1 785129816 DQKAMHSWDMVTOZ-HNNXBMFYSA-N 404.434 1.536 30 10 HDEE Cc1nc(C#N)c(N2CCN(C(=O)COC(=O)c3oc(CC4CC4)nc3C)CC2)o1 789147197 FLMAJAFTBATSKY-UHFFFAOYSA-N 413.434 1.609 30 10 HDEE CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NS(=O)(=O)Cc2ccc(C#N)cc2)C1 789330051 JNUVYYAQGDXNJS-OAHLLOKOSA-N 405.476 1.761 30 10 HDEE N#Cc1cc(F)cc(C2(C(=O)NS(=O)(=O)c3ccc4c(c3)C(=O)NCC4)CC2)c1 797038803 SPJBDYBNBJHUBU-UHFFFAOYSA-N 413.430 1.520 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1 800773347 HWJUGPTZHOFPOH-CABCVRRESA-N 409.487 1.282 30 10 HDEE COC(=O)c1sc(S(=O)(=O)NC(=O)CC2(C#N)CC2)c(C(=O)OC)c1C 815896813 ULFZZBORKSJYRF-UHFFFAOYSA-N 400.434 1.129 30 10 HDEE CC(C)[C@@H](OC(=O)[C@H](C)Oc1ccccc1C#N)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 914678556 CGRYREODMJRJCL-NQYLQCIDSA-N 422.503 1.587 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)NCCCN2CCCC2=O)c1 916692079 WOGRLCRUCIFFLK-OQKWZONESA-N 421.523 1.633 30 10 HDEE CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCC2CS(=O)(=O)C2)C1=O 1116762011 XMSYNIJNKQXYHP-GFCCVEGCSA-N 401.535 1.250 30 10 HDEE CCCN(CCC)S(=O)(=O)N1CCN(C(=O)C2(C#N)CCSCC2)CC1 1128768956 PDDSVUDSLWEZKI-UHFFFAOYSA-N 402.586 1.534 30 10 HDEE CCO[C@@H]1COC[C@H]1NC(=O)C1CCN(c2oc(-c3ccco3)nc2C#N)CC1 1128908671 FCGQYPFXCMPMPT-NVXWUHKLSA-N 400.435 1.943 30 10 HDEE CN(CCc1cccc(C#N)c1)C(=O)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O 1132514541 WHLLVVFTVMGVAZ-QHCPKHFHSA-N 402.454 1.953 30 10 HDEE COc1ccc(N2C[C@@H](C(=O)NCc3ccc(C(=O)NO)cc3)CC2=O)c(OC)c1 1139226979 HKFZDOVGTVYLMG-HNNXBMFYSA-N 413.430 1.492 30 10 HDEE O=C(N[C@H]1CCN(O)C1=O)c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 1141380383 OHNVVOKGLNSTLC-HNNXBMFYSA-N 411.386 1.486 30 10 HDEE N#Cc1cn(CCC(=O)Nc2cnn(-c3ccccc3)c2C(F)F)c(=O)nc1O 1144162823 YODYCNXOCVWDRE-UHFFFAOYSA-N 400.345 1.973 30 10 HDEE CCS(=O)(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ccsc2C#N)CC1 1147253888 AZTNDVQMKCPVRE-ZDUSSCGKSA-N 416.594 1.329 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]2C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)C1 1157884024 CWWMUOZHHWFFTG-KODHJQJWSA-N 409.508 1.030 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@H](C(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 1179653516 ZXWQTFHYEYYWOH-YZVOILCLSA-N 411.524 1.420 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O 1184491741 UHNFOOJJAJRALD-MNVSYLFESA-N 411.499 1.592 30 10 HDEE Cn1c(=O)[nH]c(N2CCCC[C@]23CCCN(C(=O)OC(C)(C)C)C3)c(C#N)c1=O 1187896715 HOPHROHAAXLWMY-HXUWFJFHSA-N 403.483 1.705 30 10 HDEE C#C[C@H](NS(=O)(=O)[C@H]1CN(C(=O)OCc2ccccc2)C[C@@H]1OC)C(C)(C)C 1212037178 CGQLWMOTKIIJMA-BZSNNMDCSA-N 408.520 1.990 30 10 HDEE Cn1cc(CNC(=O)N2CCC(c3nnnn3C)CC2)c(-c2ccc(C#N)cc2)n1 1233991513 PYNAUWCGTVYCDA-UHFFFAOYSA-N 405.466 1.571 30 10 HDEE COc1ccc2ccccc2c1CCNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1 1248583890 HPRFGWTZEITUKZ-HRAATJIYSA-N 413.499 1.971 30 10 HDEE C=CCn1cc(CNC(=O)c2ccc3c(c2)SC2=NS(=O)(=O)CCN23)nn1 1276646327 YQAWWYXEAXFJEF-UHFFFAOYSA-N 404.477 1.006 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nnc(O)c3ccccc23)n1Cc1nncn1CC 1286290636 UIZUVVLVSXIPLB-CYBMUJFWSA-N 403.450 1.712 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[C@@](C)(O)c1ccccc1 1286298476 KDBWOQGFYSJOEN-CSODHUTKSA-N 416.547 1.936 30 10 HDEE C#CCN(c1nnc([C@@H]2CCC(=O)N2)n1CC1(CCC)CC1)[C@H]1CCS(=O)(=O)C1 1286389335 IFDGEZJDXAQWIE-HOTGVXAUSA-N 419.551 1.436 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCCCO3)n2Cc2conc2COC)CC1 1286479264 GPJDURAZQZRMBQ-GOSISDBHSA-N 400.483 1.458 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCOC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 1286645631 FGTUVVXLMNRQNW-OALUTQOASA-N 416.570 1.881 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1C[C@@H](C)O[C@H](CC)C1 1286818982 VLQMXBVWHOMZRH-HUUCEWRRSA-N 406.512 1.340 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1CCN(c2ccnc(C)n2)CC1 1286819399 JILIYPVEYHAISW-UHFFFAOYSA-N 417.539 1.181 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CCC[C@]2(C)NC(=O)NC2=O)cc(OC)c1OC 1292362765 QNNCENPAHYFXOK-BUXKBTBVSA-N 404.423 1.162 30 10 HDEE Cc1sc(S(N)(=O)=O)cc1C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 1293352266 WDEHPRZACHYFSE-OAHLLOKOSA-N 404.517 1.554 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)[C@H](O)[C@@](O)(c2ccccc2)C(F)(F)F)CC1 1298660484 NDOWFBWJYNNODD-HKUYNNGSSA-N 420.391 1.413 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](C)(N2CCOCC2)C1 1300428914 SXSFPXGISCLILN-IPJJNNNSSA-N 417.554 1.717 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1CC1(C)CCC1)[C@@H]1CCS(=O)(=O)C1 1300497387 YTPSXEHQUBQLGZ-IAGOWNOFSA-N 406.552 1.989 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccncc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1300918943 NGARZCNWLPOQNJ-SFHVURJKSA-N 418.567 1.948 30 10 HDEE C=C(C)COCCn1c(COc2ccccc2OC)nnc1N1CCNC(=O)CC1 1300999447 BZRBYOZQXOPOEQ-UHFFFAOYSA-N 415.494 1.785 30 10 HDEE C=CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cc(C)nn2C)CC1 1301106391 UGFGXTLLDFCRAN-AWEZNQCLSA-N 407.544 1.381 30 10 HDEE C=CCCCn1c(-c2noc3c2COCC3)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1301216259 GXLZKNGNLMKYDI-AWEZNQCLSA-N 421.523 1.985 30 10 HDEE N#CCC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 1303011199 DYYSIQZRFXXIQA-SJORKVTESA-N 407.540 1.879 30 10 HDEE CC[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCc2nc(O)c(C#N)cc2C1)OC 1305802547 DSMSJMLGGDDGIG-HNNXBMFYSA-N 413.482 1.376 30 10 HDEE C[C@H](NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C)c1nc(C(F)(F)F)no1 1313429686 FNKYHJLXFFRFKV-UWVGGRQHSA-N 410.360 1.731 30 10 HDEE CCNC(=O)N1CCN(c2nnc(Cc3ccncc3)n2Cc2ccc(C#N)o2)CC1 1314000025 DONIBXWONUPTED-UHFFFAOYSA-N 420.477 1.628 30 10 HDEE CN(C)c1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C#N)C2)cc1F 1314661483 NSULVKVTHQVAEF-HOTGVXAUSA-N 400.458 1.764 30 10 HDEE CO[C@H]1COCC[C@H]1Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(C)=O)CC1 1315733332 BKADMOARJYTIOD-PMACEKPBSA-N 424.505 1.537 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)O 1316184799 KWEYXZDVVKUBDN-ZDUSSCGKSA-N 416.482 1.308 30 10 HDEE CCN(CCC#N)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 1317093530 CNIFEBOAODMBBF-MIKCSNIASA-N 400.523 1.284 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N3CCO[C@@]4(CCCOC4)C3)C2=O)cc1 1326990878 AYRKSTLWUWODCM-UWJYYQICSA-N 412.446 1.171 30 10 HDEE C#CCN(c1nnc(Cc2ccccc2Cl)n1CCOC)[C@@H]1CCS(=O)(=O)C1 1343779052 VHNWKROSGFKZJU-MRXNPFEDSA-N 422.938 1.795 30 10 HDEE CN1CCC/C1=N\S(=O)(=O)c1cccc(NC(=O)/C=C\c2ccc(C(N)=O)o2)c1 1354741899 WRYUDRBINTUACS-LDVNPLAHSA-N 416.459 1.843 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1CCOCCOC 1358885622 NJLGFAOIXRXTPI-HNNXBMFYSA-N 420.539 1.359 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2cn3ccccc3n2)n1CCCc1cnn(C)n1 1358894611 SGTLBEDNEVMZFD-MRXNPFEDSA-N 403.494 1.736 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 1358993624 SIVGEMUYYJNTMK-MSOLQXFVSA-N 419.551 1.264 30 10 HDEE C#CCN(CC)c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@H](COC)OC 1359009723 WVKRUYDBJLOWQP-GOSISDBHSA-N 413.526 1.573 30 10 HDEE C=C(Cl)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCO[C@H](CNC(C)=O)C1 1359145030 CISTURHDIFCTKG-QGZVFWFLSA-N 400.870 1.911 30 10 HDEE C=CCN(CCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1Cc1nnn(C)n1 1359275485 VIMLYZKTORJDGN-GOSISDBHSA-N 408.510 1.979 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccsc2)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 1359303056 CAOJBCVKRICPDO-JKSUJKDBSA-N 414.535 1.290 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C2CC2)N(C)C)C1 1359310740 FMFIKSDBCQHRPC-MSOLQXFVSA-N 402.543 1.636 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N1C[C@H](C)OC2(CCOCC2)C1 1359330944 HRKHYNRRTTWTMZ-HNNXBMFYSA-N 410.540 1.531 30 10 HDEE C#CCOc1ccccc1CNC(=O)[C@H](NS(=O)(=O)c1cccs1)[C@@H](C)O 1444158291 KKHBXCYXIFPQFJ-CXAGYDPISA-N 408.501 1.104 30 10 HDEE N#Cc1cn(CC(=O)N2CC(Cc3ccc(Br)cc3)C2)c(=O)nc1O 1456630032 YNIALFYYIXAJQH-UHFFFAOYSA-N 403.236 1.284 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](NC(=O)C(F)(F)F)[C@@H]1C(=O)OC(C)(C)C 1461420775 DUBSNJHEZJKXLT-ZOBORPQBSA-N 420.428 1.957 30 10 HDEE C=CCN1CC[C@@H](N(C)S(=O)(=O)c2cc(C(=O)OC)c(F)cc2OC)C1=O 1463603079 CNASKZSYKSBXJR-CYBMUJFWSA-N 400.428 1.028 30 10 HDEE C=C(C)C[C@H](CO)NC(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 1465546318 LJZYEVXOPAOAEN-GOSISDBHSA-N 403.527 1.345 30 10 HDEE CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)Cn2nc3n(c2=O)CCCC3)C1=O 1467661601 OIRXXOSHUZKOLI-LJQANCHMSA-N 406.487 1.083 30 10 HDEE CCON(CC)C(=O)CNC(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1470159469 GJBMXTLZJMPRSJ-RDYUPDBUSA-N 408.499 1.689 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1COc2cc(F)ccc2C1 1470248673 HFHMWVQFAUVUBP-BLLLJJGKSA-N 403.435 1.484 30 10 HDEE C#C[C@@H](NC(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1)C1CCOCC1 1470863379 BROKFLINNLKSKD-RTWAWAEBSA-N 410.518 1.548 30 10 HDEE C#C[C@H](NC(=O)NCC[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O)C(C)(C)C 1471320578 QXZFBKIQAQMGBF-GJZGRUSLSA-N 415.556 1.758 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N[C@H]3C[C@H](S(C)(=O)=O)C3)C2)C1 1471505832 YNTKFROOFCGQIN-HCHPWLPISA-N 411.524 1.465 30 10 HDEE O=C(CCC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@H](CO)Cc1ccoc1 1471571132 UJLLUBHWNVYYDT-OAHLLOKOSA-N 405.476 1.066 30 10 HDEE C#Cc1cccc(NC(=O)NC(=O)CN2CCN(c3ccc(F)cc3C(N)=O)CC2)c1 1473667784 UOMWIELAMSCFEZ-UHFFFAOYSA-N 423.448 1.376 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1c[nH]c2c(Br)cccc12)C(=O)OC 1475239843 HDERUFNRARPQNK-LBPRGKRZSA-N 417.281 1.953 30 10 HDEE C=CCn1ncc2ccc(NC(=O)Nc3cnn(CC(=O)N4CCOCC4)c3)cc21 1477135374 WOFNSAQPLAEHPC-UHFFFAOYSA-N 409.450 1.922 30 10 HDEE CN1C[C@](C)(Cn2c(CN3CCCC3=O)nnc2N(C)Cc2ccc(C#N)cc2)C1=O 1503673416 FCYOPTPSVGJPDZ-JOCHJYFZSA-N 421.505 1.387 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1CCCn1cc(CO)nn1 1507536470 OJQJUYMFPSSBOB-CQSZACIVSA-N 415.448 1.779 30 10 HDEE C#CCCCn1c(N2CCC3(CC2)COC(=O)N3)nnc1[C@]1(OC(C)C)CCOC1 1507599794 UFDNUEQFCLJAQT-NRFANRHFSA-N 417.510 1.811 30 10 HDEE C#CCN(C)c1nnc(-c2cnccn2)n1C[C@H](c1ccccc1)N1CCOCC1 1507607717 CBBHIDRNIJHSPT-HXUWFJFHSA-N 403.490 1.878 30 10 HDEE C#CCN(c1nnc(CC(C)(C)C)n1CCCC(=O)N(C)C)[C@@H]1CCS(=O)(=O)C1 1507634629 OGHQJYUNILBUNX-MRXNPFEDSA-N 423.583 1.362 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc2c(c1)COC2 1507642084 GOXXILUQTXRWTD-OAHLLOKOSA-N 413.503 1.040 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN(C)CCOC)CC1 1507722010 WOOQEAJXIWIAQG-UHFFFAOYSA-N 410.566 1.841 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1508073313 JOGKVBLRGIWYDT-IYBDPMFKSA-N 419.869 1.471 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(C)(F)F)C1 1508112760 CCPNVRVRUAVMRP-QWHCGFSZSA-N 407.487 1.715 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H]2CCCC[C@@H]2C1 1508141821 OVCBFPTXWNSROX-ZACQAIPSSA-N 421.567 1.847 30 10 HDEE Cc1cc(C)n(Cc2nnc(N3CCC(CC(N)=O)CC3)n2Cc2ccc(C#N)o2)n1 1511697330 JFWDTFPHILUGOT-UHFFFAOYSA-N 422.493 1.745 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1C[C@](C)(O)CCOC 1513970043 DLFHCNWJYGSGMZ-DYESRHJHSA-N 412.494 1.319 30 10 HDEE CNC(=O)C(C)(C)Cn1c(Cc2c(F)cccc2F)nnc1N1CCO[C@@H](C#N)C1 1517436704 LLMNFFJTXZEZME-ZDUSSCGKSA-N 418.448 1.648 30 10 HDEE C=CCN(C(=O)c1ccc(I)cn1)[C@H]1CCS(=O)(=O)C1 1520934584 DEAFJJQUOXCVPU-NSHDSACASA-N 406.245 1.502 30 10 HDEE N#C[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(Cl)cn2)CCO1 1521137533 PAUFPULUECZFMT-HUUCEWRRSA-N 404.858 1.986 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCOc2ccc(Cl)cn2)CCO1 1521137534 PAUFPULUECZFMT-LSDHHAIUSA-N 404.858 1.986 30 10 HDEE CC(C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1536179700 LOUBSRXANONUCH-KHYOSLBOSA-N 413.540 1.713 30 10 HDEE C#CCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(Cn2ccnn2)CC1 1539120686 YIRSDXRTGWPVHU-QGZVFWFLSA-N 417.539 1.102 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CC(C)(C)COC)[C@@H]1CCS(=O)(=O)C1 1539215591 GHQSCSISSSFKEQ-OAHLLOKOSA-N 418.523 1.034 30 10 HDEE C#CCN(c1nnc([C@H]2OCC[C@H]2COC)n1[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 1539230575 IBSMHSNIVHGAEX-VIQHNZTISA-N 408.524 1.210 30 10 HDEE C#CCN(CC#C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCN1CCCC(C)(C)C1 1539239472 LLGZWLMEFANIJZ-KRWDZBQOSA-N 420.583 1.083 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2Br)n1Cc1ncn(C)n1 1539253140 MQFNDYLGFQOFQA-UHFFFAOYSA-N 410.279 1.957 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)NC(C)C)n1CCN1CCc2sccc2C1 1539292062 ZMGVEPBBMHQAFU-UHFFFAOYSA-N 424.574 1.999 30 10 HDEE C#CCN(CCOC)c1nnc([C@H](C)Oc2ccccc2F)n1C[C@H]1CCC(=O)N1 1539395808 IYFGXSJXHVUGAJ-JKSUJKDBSA-N 415.469 1.922 30 10 HDEE C#CCN1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[C@@H]2CCOC2)CC1 1539432201 ZNERRHCBRHCIRI-DENIHFKCSA-N 417.554 1.501 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCNC(=O)[C@H]1CC 1539637928 VEBNDDDITGQPKQ-POAQFYNOSA-N 410.522 1.960 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(CCOc2ccccc2)nnc1N1CCNC(=O)C1 1539645567 RDTSWVCFUACJHT-UWJYYQICSA-N 411.506 1.817 30 10 HDEE C=C(C)COCCn1c(C2CC2)nnc1N1CCC([C@H]2NC(=O)N(C)C2=O)CC1 1539744424 LGZQVLZAEKEJCJ-MRXNPFEDSA-N 402.499 1.515 30 10 HDEE C=CCN(C)c1nnc([C@@]2(OCC)CCOC2)n1CCn1cc([C@@H]2CCOC2)cn1 1540049028 GGLZGDHRDMHKHG-DYESRHJHSA-N 416.526 1.953 30 10 HDEE C=CCN(C)c1nnc(-c2cccn2C)n1Cc1cccc(S(=O)(=O)NC)c1 1540065831 JPNDWOQQHJGVJH-UHFFFAOYSA-N 400.508 1.862 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccn2C)n1CC(=O)NCC(F)(F)F 1540196300 XSBRPCRTZVJNHA-UHFFFAOYSA-N 400.405 1.601 30 10 HDEE C=CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(Cc2nc(C)c(C)o2)CC1 1540858296 PZMYYAZPBNHSBO-INIZCTEOSA-N 420.539 1.293 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C)n2)nnc1N1CCO[C@@H](c2cnn(C)c2)C1 1540869707 UWDBDMITMVYWBD-GOSISDBHSA-N 422.493 1.262 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1540902016 XZNZGGOVOOXSPQ-CHWSQXEVSA-N 404.558 1.014 30 10 HDEE C=CCSCCn1c(C2CCC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 1540916336 WIPAMEFJWUNGQI-UHFFFAOYSA-N 418.567 1.392 30 10 HDEE CC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCc2ccn(C)n2)CC1 1540982021 FDUPASXMJBDOLX-UHFFFAOYSA-N 404.478 1.461 30 10 HDEE CN1CCCCC/C1=N\S(=O)(=O)c1cccc(NC(=O)c2ccc(C(N)=O)[nH]2)c1 1543196292 ZFDQKJRMYSSPGW-HAVVHWLPSA-N 417.491 1.959 30 10 HDEE C#CCN(C(=O)[C@H]1N(C(=O)OCc2ccccc2)CC1(C)C)[C@@H]1CCS(=O)(=O)C1 1543462043 JILOBAWYVVNXOF-QZTJIDSGSA-N 418.515 1.683 30 10 HDEE CC[C@@H](C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1 1545689627 GJMYBKXXWYVYPL-PBHICJAKSA-N 409.494 1.433 30 10 HDEE N#C[C@@H](NC(=O)c1nc2ncc(CCO)cn2n1)c1cccc(Br)c1 1545824239 PRPIYVMYWTZEIG-CYBMUJFWSA-N 401.224 1.416 30 10 HDEE CCc1nnc(N2CCC(c3ccnn3C)CC2)n1CCN/C(O)=C1/N=CC=CC1=O 1546466471 GMQHGUHAFHXHCW-VXPUYCOJSA-N 424.509 1.484 30 10 HDEE CCN(C)C(=O)Cn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@@H]2OC(=O)O[C@H]2C1 1547311874 KHTHORIXYMCSTR-HOTGVXAUSA-N 410.434 1.409 30 10 HDEE C[C@H]1COC(C)(C)CN1c1nnc(-c2ccc(C#N)cc2)n1C[C@]1(O)CCN(C)C1 1555961653 AFNMHDOIALJNAC-AOMKIAJQSA-N 410.522 1.887 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCNC(=O)C3)n2CCCOC[C@@H]2CCOC2)c1 1555988317 WVBAVYKAMZOYBW-KRWDZBQOSA-N 410.478 1.196 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]([C@@H]2CCCO2)C2(CO)CCC2)cc1 1557218698 ALAUXQYJJCBPCG-ROUUACIJSA-N 406.504 1.038 30 10 HDEE C=CCn1c(SCC(=O)N2C[C@@H](CO)[C@H](CO)C2)nnc1-c1ccc(Cl)cc1 1557661037 CYBIOKLLMCDAMZ-GJZGRUSLSA-N 422.938 1.936 30 10 HDEE C#CC[C@@H](COC)NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1O 1557769919 OYPBIUJIVQQDGY-HNNXBMFYSA-N 418.471 1.970 30 10 HDEE CCn1cc(CNC(=O)COc2cccc(Br)c2C#N)c(O)nc1=O 1558080298 WXDNHYQHGBGSLQ-UHFFFAOYSA-N 407.224 1.298 30 10 HDEE C#CCC1(O)CCN(C(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)CC1 1558102011 BRXINIXXDVFZKD-QGZVFWFLSA-N 406.504 1.134 30 10 HDEE CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CN1C[C@H]2CS(=O)(=O)C[C@]2(C#N)C1 1560168498 NDBNHRBNOBOFGC-GUYCJALGSA-N 416.330 1.822 30 10 HDEE C#CCN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H](C)Oc3ccccc3C)CC2)C1 1565346226 KIZOABCHVGWAHB-PMACEKPBSA-N 412.534 1.714 30 10 HDEE C=CCN(C(=O)Cn1cc(C(=O)OC)nn1)[C@@H](Cc1ccccc1)C(=O)OCC 1567605821 KRHHWBVIYWYHSH-KRWDZBQOSA-N 400.435 1.254 30 10 HDEE C=CCN(C(=O)Cn1cc(C(=O)OC)nn1)[C@H](Cc1ccccc1)C(=O)OCC 1567605822 KRHHWBVIYWYHSH-QGZVFWFLSA-N 400.435 1.254 30 10 HDEE Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H](CC#N)C2)cc1C 1584317528 GSWFCJHOLQCYIT-WMZOPIPTSA-N 420.535 1.368 30 10 HDEE COc1ccc(C(=O)NCc2ccc(C#N)s2)cc1S(=O)(=O)N1CCOCC1 1585414050 MMRRZIKNXNVUJP-UHFFFAOYSA-N 421.500 1.579 30 10 HDEE Cn1cc(N2C[C@H](C(=O)Nc3c(C#N)nnn3Cc3ccccc3)CCC2=O)cn1 1585832811 OAEUZLIVPNYRCJ-OAHLLOKOSA-N 404.434 1.313 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc(OC)c(O)c1 1587562676 RVHXNRPVPABOEI-STQMWFEESA-N 407.496 1.109 30 10 HDEE CON(C(=O)[C@@H](C)NS(=O)(=O)c1ccc(C#N)cc1)[C@@H](C)C(=O)OC(C)(C)C 1587605244 KAOQKAYCAICTPT-OLZOCXBDSA-N 411.480 1.345 30 10 HDEE C#CCCCn1c([C@@H](C)CC)nnc1N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 1587809137 ZQOAOYZLFCNIPF-ROUUACIJSA-N 423.583 1.836 30 10 HDEE C#CCN(c1nnc([C@H]2CCCCO2)n1CC1CCOCC1)[C@@H]1CCS(=O)(=O)C1 1588053700 HIOLVLMEUPKEIR-QZTJIDSGSA-N 422.551 1.573 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC1(CCOC)CC1)[C@@H]1CCS(=O)(=O)C1 1588054445 NQGYYFNOFCAJCK-IAGOWNOFSA-N 422.551 1.225 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccccc2OC)n1C[C@]1(C)CN(C)C1=O 1588659154 DZBAOFRLFWYBFS-QFIPXVFZSA-N 411.506 1.442 30 10 HDEE Cn1cc(I)c(C(=O)N2CC(=O)Nc3ccc(C#N)cc32)n1 1596435864 UVPKZCGGBBCLHS-UHFFFAOYSA-N 407.171 1.495 30 10 HDEE Cc1nnsc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C#N)CC1 1611884925 IEHJTKURANGMBC-CYBMUJFWSA-N 407.525 1.128 30 10 HDEE C#C[C@@H](NS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1)C1CCOCC1 1622379869 LKJCKZDJWSNCCV-QGZVFWFLSA-N 400.522 1.082 30 10 HDEE C=C[C@H](C(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1)c1ccccc1 1624417266 MPGVUSGGAOIBDO-LNLFQRSKSA-N 407.536 1.454 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NCCCCCS(C)(=O)=O)CC1 1625639064 XDCAHDNPZRABCF-UHFFFAOYSA-N 400.541 1.968 30 10 HDEE C#CCNC(=O)CN1CCN(C(=O)c2cc(NC(=O)OCC)ccc2Cl)CC1 1626966874 UTAKKNTTYZBUJW-UHFFFAOYSA-N 406.870 1.416 30 10 HDEE C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(C(C)C)cc1 1626976916 HYKQBGCSLJEYAI-HNJRGHQBSA-N 422.547 1.641 30 10 HDEE N#C[C@]12CN(C(=O)c3cnn(-c4ccccc4)c3C(F)F)C[C@H]1CS(=O)(=O)C2 1627137180 UBNJXWHNLFTCJO-KPZWWZAWSA-N 406.414 1.820 30 10 HDEE C#CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1)C1CSC1 1629033721 GFJBBDDXNPHGOI-UHFFFAOYSA-N 414.499 1.943 30 10 HDEE O=C1CCc2cc(OC[C@@H](O)CNC(=O)C(=O)/C=C\c3ccc(F)cc3)ccc2N1 1631326991 RYGWTJSOGIMPQX-MJERTPDMSA-N 412.417 1.849 30 10 HDEE COCCN(CCC(=O)OC)C(=O)C1CC2(C1)CN(C(=O)OC(C)(C)C)C[C@H]2C#N 1633250426 QFEXTQZAAZLRKR-ZGOJQLDESA-N 423.510 1.811 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)N1CCCC[C@H]1COC(=O)N1CCCCC1 1633522212 CHLAJFFMJXHBIH-INIZCTEOSA-N 401.529 1.774 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCC[C@@H](c4nn[nH]n4)C3)C2)C1 1633585792 VSJKPWDNRJLUAP-MGVZARIASA-N 415.498 1.693 30 10 HDEE CC(C)N1CC[C@H](NC(=O)C2CN(c3ccc(Br)cc3C#N)C2)C1=O 1633762448 ZQRMOXYDZRSVRE-HNNXBMFYSA-N 405.296 1.882 30 10 HDEE C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](NS(C)(=O)=O)C1 1634306713 QPXCZCVNPIZPKV-HUUCEWRRSA-N 403.545 1.776 30 10 HDEE C#CCN1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)s2)C1 1634555303 VALFUUAOBUXKFQ-INIZCTEOSA-N 409.577 1.996 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](C#N)C2(CC(C(=O)N3CCn4c(O)nnc4C3)C2)C1 1634680960 FMQHTPREJQNEMM-FWHMADFJSA-N 402.455 1.113 30 10 HDEE C=CCc1ccc(OCC(=O)N2CCC[C@@H]2CNC(=O)c2cnn(C)c2)c(OC)c1 1635448176 QLFNYDFAHODMTN-GOSISDBHSA-N 412.490 1.957 30 10 HDEE N#Cc1ccc(N2C(=O)N[C@@H](CCC(=O)N[C@H]3c4ccccc4CC[C@H]3O)C2=O)cc1 1639313492 LZVPLHULEMVBDD-ZVDOUQERSA-N 418.453 1.928 30 10 HDEE CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@H](CC(=O)NCc2ccc(C#N)s2)C1 1639430237 CAAYNZMRIBPBIU-CQSZACIVSA-N 413.521 1.660 30 10 HDEE CO[C@@]1(CO)CCCN(C(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@H]3C#N)C1 1641047180 WHLOPTJUUFPHSN-IUTMSDBMSA-N 407.511 1.773 30 10 HDEE CCN(C(=O)COc1ccc(Br)c(C#N)c1)[C@H]1CCS(=O)(=O)C1 1641461529 GBZIDGWKUGCYJR-LBPRGKRZSA-N 401.282 1.735 30 10 HDEE C#CC[C@@H](COC)NC(=O)CNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 1641843554 QRZGWODLTRSZKD-NSHDSACASA-N 412.817 1.792 30 10 HDEE C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](OC)c2cccc(OC)c2)cc1 1642086902 STADRNWTUVOGKE-LJQANCHMSA-N 402.472 1.724 30 10 HDEE CC(C)[C@@H](C#N)N1CCN(C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 1642570419 HLFQMMROSZDTBV-SJORKVTESA-N 400.589 1.154 30 10 HDEE CC[C@H](NCC#CCN1C(=O)c2ccccc2C1=O)c1cccc(S(N)(=O)=O)c1 1653093713 ZSAFXQBTVUGVAN-IBGZPJMESA-N 411.483 1.674 30 10 HDEE C#CCN1CCN(S(=O)(=O)C[C@@H]2CCCN(C(=O)OCc3ccccc3)C2)CC1 1655018637 RNIRDVCVDVYBPJ-HXUWFJFHSA-N 419.547 1.616 30 10 HDEE COC(=O)C[C@H]1CS(=O)(=O)CCN1CC(=O)N(CCC#N)c1ccc(C)c(C)c1 1655284004 IQEQYQRRQDWDOG-SFHVURJKSA-N 421.519 1.212 30 10 HDEE C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CC[C@@H](CNS(C)(=O)=O)C1 1660058565 DJZSYXUZVRTTME-GJZGRUSLSA-N 410.565 1.748 30 10 HDEE COC(=O)C[C@@H]1COCCN1S(=O)(=O)c1cc(Br)c(C#N)cc1F 1663679547 CJXJQQAFCIUICZ-SNVBAGLBSA-N 421.244 1.412 30 10 HDEE COC(=O)[C@@H](NS(=O)(=O)N(C)[C@@H](C)CC#N)c1ccccc1Br 1664378398 BUDPWCNPGFUZJK-GWCFXTLKSA-N 404.286 1.732 30 10 HDEE CCN(CC)[C@@H](CNC(=O)NCCn1cc(C#N)c(O)nc1=O)Cc1ccccc1 1665730090 DMLPQZITAMQCTL-GOSISDBHSA-N 412.494 1.073 30 10 HDEE C=CCC1(O)CCN(S(=O)(=O)c2ccc(CCNS(=O)(=O)CC)s2)CC1 1666229720 IHWWTAJQSQDSOJ-UHFFFAOYSA-N 422.594 1.322 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NC(=O)Nc1cc(C(N)=O)ccc1CN1C(=O)CN(C)C1=O 1668024813 MWRPZLWORIRWLT-ZBFHGGJFSA-N 415.450 1.035 30 10 HDEE CCOC(=O)c1c(NC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)c(C#N)cn1CC 1672409798 BVKXHQZSSKYQGJ-CQSZACIVSA-N 405.499 1.865 30 10 HDEE C#CC[C@H](CCOC)NC(=O)N1CCC[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 1674888254 SIKPVOMYHUPYIQ-IAGOWNOFSA-N 424.542 1.477 30 10 HDEE C#CCN(CC(=O)OC(C)(C)C)C(=O)NCc1cccc([C@]2(C)NC(=O)NC2=O)c1 1678012695 RNXSJVHEVRXIOU-NRFANRHFSA-N 414.462 1.228 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)NCC[S@](=O)CC(F)(F)F)C1 1686056234 UPEQETJHDNYMKP-UVFIKHGSSA-N 412.434 1.356 30 10 HDEE C#CCCCn1c(C(=O)Nc2ccccn2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 1689910518 ISZUYDXGHQWHBD-HNNXBMFYSA-N 416.507 1.352 30 10 HDEE C#CCN(CC#CC)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCCn2ccnc21 1690030212 QJMFLJJGATXIQF-GOSISDBHSA-N 405.506 1.751 30 10 HDEE C#CCN(CC)c1nnc(-c2noc3c2COCC3)n1CCCOC[C@H]1CCOC1 1690074158 UBMLXZBTVNYBFP-MRXNPFEDSA-N 415.494 1.909 30 10 HDEE C#CCN(Cc1ccc(F)cc1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccn(C)n1 1690089531 DITMPEKZXGUDOR-SFHVURJKSA-N 407.453 1.790 30 10 HDEE C=C(C)Cn1c(-c2cnccn2)nnc1N1CCC[C@H](n2ccc(C(=O)NC)n2)C1 1690284639 OJPZRDIWWMEIEQ-HNNXBMFYSA-N 407.482 1.709 30 10 HDEE C=C(C)COCCn1c(-c2ccc(C#N)cc2)nnc1N1CCS(=O)(=O)CC1 1690304947 RZJRVXBUEHCWBS-UHFFFAOYSA-N 401.492 1.644 30 10 HDEE C=C(C)COCCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](NC(=O)OCC)C1 1690308588 SXTLJFFZMIZMOK-KRWDZBQOSA-N 417.514 1.986 30 10 HDEE C=CCCCCCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CC(=O)N1CCOCC1 1690449861 SOVYOEDKTDANJO-INIZCTEOSA-N 404.515 1.271 30 10 HDEE C=CCCOCCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N(CC)CC)CC1 1690508470 JRXMJPKEBHORGM-SFHVURJKSA-N 420.558 1.959 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccc(C(N)=O)cc1 1690673615 YPMRTVXZMPKTCG-UHFFFAOYSA-N 419.489 1.301 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H]2CC=CCO2)C1 1690700511 TVQMXGGJYRBEEX-GVDBMIGSSA-N 408.524 1.307 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)COC)CC1 1690752360 FNNCWENIRXKRQG-MRXNPFEDSA-N 409.556 1.780 30 10 HDEE Cc1nc(Cc2nnc(N3CCO[C@H](C#N)C3)n2CCc2nccnc2C)cs1 1693360381 HCQMOQUYNHYYKH-MRXNPFEDSA-N 410.507 1.704 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(C(=O)NC(C)C)n1Cc1cccc(CN2CCOCC2)c1 1705474593 CWJVWIAVFQGRDW-GOSISDBHSA-N 424.549 1.755 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2cc(-c3ccccc3)[nH]n2)n1CCNS(C)(=O)=O 1705479476 JBWUTFOMAVRGTL-AWEZNQCLSA-N 413.507 1.342 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCCO2)n1C[C@H](F)COC)[C@H]1CCS(=O)(=O)C1 1705564296 BOZXEBREMFBJGG-JYJNAYRXSA-N 414.503 1.131 30 10 HDEE C=C(Br)Cn1c([C@H]2CCCOC2)nnc1N(C)CCS(=O)(=O)CC 1705685885 KWVMIMNUKBTICY-ZDUSSCGKSA-N 421.361 1.952 30 10 HDEE C=CCNC(=O)Cn1c(N2CC[C@H](C)[C@@H](OC)C2)nnc1[C@@]1(OCC)CCOC1 1705907946 CLDPNUMCGRRAAW-TWOQFEAHSA-N 407.515 1.094 30 10 HDEE C=CCS(=O)(=O)CCn1c(Cc2cccnc2)nnc1N(C)C[C@H]1CCCCO1 1705936947 CILDKGUUSJRTLO-GOSISDBHSA-N 419.551 1.870 30 10 HDEE Cc1nccn1CCCCn1c(CN2CCCC2=O)nnc1N1CCO[C@H](C#N)C1 1707785416 LOOXWBWCOVWOFC-QGZVFWFLSA-N 412.498 1.115 30 10 HDEE Cc1nnc(N2CCN(c3ccccc3C#N)CC2)n1CCCCCS(C)(=O)=O 1707910460 QRCYWSAESGTQCZ-UHFFFAOYSA-N 416.551 2.000 30 10 HDEE CCc1nnc(N(CCC#N)CCOC)n1CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 1709054177 OYNTUYWWRMEKKG-CWLKWCNXSA-N 412.494 1.014 30 10 HDEE C#CCN(c1nnc(Cc2ccsc2)n1C[C@@H](C)N(C)C)[C@H]1CCS(=O)(=O)C1 1722365151 KWFOAZKZZOYFBW-WBVHZDCISA-N 421.592 1.507 30 10 HDEE C#CCN(c1nnc(COCC)n1C[C@H]1CCN(CCC)C1)[C@H]1CCS(=O)(=O)C1 1722370038 KMAKJWZQSWUGSN-ROUUACIJSA-N 423.583 1.173 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(C(C)(C)O)c1 1722446240 BVTTXCCVJTYQHV-SFHVURJKSA-N 411.506 1.591 30 10 HDEE C=C(Cl)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(OCCOC)CC1 1722543565 QXMJYMUKFVXWRO-CYBMUJFWSA-N 421.951 1.273 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CCC(O)CC2)CC1 1722577827 RLMVTFJBPMHWMY-SFHVURJKSA-N 402.543 1.478 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(-c3cccn3C)n2C[C@H]2CCS(=O)(=O)C2)C1 1722711101 AFNVGKAVNBCUOJ-CVEARBPZSA-N 405.524 1.500 30 10 HDEE C=CCSCCn1c([C@H]2CCOC2)nnc1N1CCC(S(C)(=O)=O)CC1 1722738325 GECCTXDCBVZJDE-AWEZNQCLSA-N 400.570 1.715 30 10 HDEE C[C@@H](C#N)CN(C)c1nnc(COc2ccc(C#N)cc2)n1CC(=O)NCC1CC1 1722868708 DIMNPRKZPSKIJU-HNNXBMFYSA-N 407.478 1.851 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CC1(O)CCOCC1 1723561721 AQYJJVTXMRPGEF-UHFFFAOYSA-N 412.494 1.466 30 10 HDEE Cc1nc(CCn2c(-c3ccc(C#N)cc3)nnc2N(C)CC(=O)NC(C)(C)C)n[nH]1 1725455217 MFQLSHUPQNGVGZ-UHFFFAOYSA-N 421.509 1.837 30 10 HDEE CO[C@H](C)Cn1c(C(=O)NC(C)C)nnc1N1CCN(c2ccccc2C#N)CC1 1729826020 GWVOUZSGAYHZNT-MRXNPFEDSA-N 411.510 1.649 30 10 HDEE COCCO[C@@H](C)c1nnc(N2CCC[C@@](C)(C#N)C2)n1CCNC(=O)C(C)C 1730853533 USQWSTUKRMHGFV-JXFKEZNVSA-N 406.531 1.904 30 10 HDEE COCCO[C@H](C)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1CCOCC1 1730871724 WLRIQQLMILUDSY-VQIMIIECSA-N 418.542 1.605 30 10 HDEE COCCOCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CC[C@@](F)(C#N)C1 1730924550 WUIQWVKXQJRLEF-HXUWFJFHSA-N 417.441 1.821 30 10 HDEE CS(=O)(=O)CCn1c(-c2ccccc2)nnc1N1CCc2nc(O)c(C#N)cc2C1 1731007961 VEAHROXNWRFXIT-UHFFFAOYSA-N 424.486 1.525 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(OC)cc2)n1CCCN(CC)S(C)(=O)=O 1740604255 VLSIMMZVPXPYAY-UHFFFAOYSA-N 405.524 1.695 30 10 HDEE C#CCN(c1nnc(CC)n1CC(C)(C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 1740628233 WKKFQLGVUMNXSI-QGZVFWFLSA-N 407.584 1.732 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCS(=O)(=O)C1 1740641157 GCMVSVAALZZSPA-HNNXBMFYSA-N 418.469 1.655 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(COCC)n2Cc2ccc(Cl)nc2)CC1 1740707686 MCOVWKQIOJRESG-UHFFFAOYSA-N 416.913 1.877 30 10 HDEE C#CCSCCn1c(C2CC2)nnc1N1CCN(c2ccc(C(N)=O)cn2)CC1 1740715833 GHPYKIKNUXYRCU-UHFFFAOYSA-N 411.535 1.342 30 10 HDEE C=C(C)COCCn1c(-c2cnccn2)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1 1740791324 BNKGJZIIRPCLTO-MRXNPFEDSA-N 411.510 1.823 30 10 HDEE C=CCCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@](C)(C#N)C1 1740887489 IRXYPQYEHVQPDB-LPHOPBHVSA-N 407.540 1.903 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnccn2)n1Cc1ncn(-c2ccccc2)n1 1741128847 DMJSJNAPRRPBMD-OAHLLOKOSA-N 400.450 1.960 30 10 HDEE CCN(CCn1c(-c2cccc(C#N)c2)nnc1N1CCS(=O)(=O)CC1)C(C)C 1746318700 AKIHBUWBCIUFIU-UHFFFAOYSA-N 416.551 1.782 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H](C)OCCOC)n2C[C@@H]2CCOC2)CC1 1749005442 WHDLVIZLSMALEE-IRXDYDNUSA-N 419.526 1.004 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCCC3)n2Cc2cnn(C)c2C)CC1 1749009882 MJISJCFNSXCAGC-UHFFFAOYSA-N 409.538 1.992 30 10 HDEE C#CCSCCn1c(Cc2ccccc2OC)nnc1N1C[C@@H]2OCO[C@@H]2C1 1749040211 QZMMHIIXNWIPJB-HDICACEKSA-N 400.504 1.805 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C 1749211265 WHQGBJKRNRLXGE-QGZVFWFLSA-N 420.558 1.702 30 10 HDEE C=CCCOCCn1c(C)nnc1N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 1749445500 PVBHLEOFMFRWAE-RTBURBONSA-N 418.586 1.806 30 10 HDEE C=CCSCCn1c([C@H]2CCCO2)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1749767364 WGNRTWAOKCVLBM-LSDHHAIUSA-N 415.585 1.567 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H](C)N1CCC[C@H](C)C1 1760097443 FDWWHGLRJNSXSR-NXOAAHMSSA-N 410.588 1.467 30 10 HDEE C#CCCCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)=O)CC1 1760157337 MIMWRKNPEDKAAJ-UHFFFAOYSA-N 400.508 1.352 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN(C)Cc1ccccc1 1760175586 MYMNZGIWLMRQOK-IBGZPJMESA-N 415.563 1.772 30 10 HDEE C#CCN(c1nnc([C@H]2CCCO2)n1Cc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C1 1760192931 POEBSWZTTWGWHS-QZTJIDSGSA-N 418.494 1.944 30 10 HDEE C#CCN(CC#C)c1nnc(-c2cccc(Br)c2)n1CCS(C)(=O)=O 1760196230 QBLJHHCAKVTZLK-UHFFFAOYSA-N 421.320 1.825 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(C#N)c2)n1CC1(S(C)(=O)=O)CC1 1760214227 GOGKEYQYVASOLL-UHFFFAOYSA-N 407.499 1.857 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1C[C@]1(O)CCc2ccccc21 1760217397 ABQLWBYGQSGWDJ-AUSIDOKSSA-N 403.486 1.526 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCCS(=O)(=O)C1 1760218547 JCGGPGVAJWPINN-MSOLQXFVSA-N 404.536 1.807 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2CCCN2CCN(CC)CC2)CC1 1760258304 KFFLWDAWFIVZDZ-UHFFFAOYSA-N 421.593 1.728 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCCOC3)n2CCc2nnc(C)s2)CC1 1760259642 OHALSWRCVUQRFY-MRXNPFEDSA-N 401.540 1.330 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccccc2N2CCOCC2)CC1 1760266039 OOBHPLOKHVIDDW-UHFFFAOYSA-N 422.533 1.437 30 10 HDEE C=C(C)COCCn1c([C@H]2CCCO2)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1760361109 SDBCAITWICCLHC-GBESFXJTSA-N 405.543 1.879 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)O 1760502149 PLEZCOUTIDBSBP-UHFFFAOYSA-N 408.524 1.758 30 10 HDEE C=CCn1c([C@H](C)OCCOC)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1 1760506369 LASWNMZICZCGAE-STQMWFEESA-N 405.421 1.693 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCOCC2)C1 1760527122 NFNXFGOVUDYBBN-MJGOQNOKSA-N 416.570 1.470 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCC[C@@H](OCC2CC2)C1 1760555484 GORSYSCTXIFJSM-ZWKOTPCHSA-N 424.567 1.778 30 10 HDEE C[C@@H](CC#N)N(C)c1nnc(C(=O)N2CCCC2)n1CC1CCS(=O)(=O)CC1 1761356225 CDBFBVLPIHMGOU-AWEZNQCLSA-N 408.528 1.077 30 10 HDEE CCC[C@H]1CN(c2nnc(CC3CC3)n2CCN/C(O)=C2\N=CC=CC2=O)CCO1 1765651724 FTPWVOAQRLUJFL-QBNCKDSPSA-N 414.510 1.762 30 10 HDEE CCOCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCn2cncn2)CC1 1768173543 KATMLHGFOAEBDF-UHFFFAOYSA-N 421.509 1.267 30 10 HDEE N#C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccsc2)CCO1 1770746664 IUMXPIUDMZBNBR-OAHLLOKOSA-N 409.475 1.958 30 10 HDEE COC[C@H](F)Cn1c(-c2ccc(C#N)cc2)nnc1N1CCC2(CC1)COC(=O)N2 1770785945 FPOBSVGUGVJRMH-MRXNPFEDSA-N 414.441 1.880 30 10 HDEE COC[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1770918515 CEHZWVUJEKGIRO-IRXDYDNUSA-N 415.519 1.724 30 10 HDEE COCCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(C(=O)COC)CC1 1771023514 RZSYOSBGWARCRF-UHFFFAOYSA-N 412.494 1.538 30 10 HDEE C=CCNC(=O)Cn1c(C2CCCC2)nnc1N1CCC[C@@H](NC(=O)OCC)C1 1772567416 SIDVWQLPROVXAJ-MRXNPFEDSA-N 404.515 1.953 30 10 HDEE COc1ccc(N2C[C@H](C(=O)N=c3[nH]cc(C#N)c4cccnc34)CC2=O)c(OC)c1 1850693472 PQYZXGDNVQCHNG-CYBMUJFWSA-N 417.425 1.932 30 10 HDEE Cn1[nH]c(=NC(=O)Cc2ccc(C#N)cc2)nc1N1CCN(c2ccc(F)cc2)CC1 1851404707 ZHZOBAPNGWZVLG-UHFFFAOYSA-N 419.464 1.756 30 10 HDEE Cn1c(=O)ccn([C@@H]2CCCN(C(=O)C3CCN(c4ccc(C#N)cc4)CC3)C2)c1=O 1851685106 YMJJQZJWWJANAS-HXUWFJFHSA-N 421.501 1.499 30 10 HDEE C=CC[C@@H]1C(=O)N=C(NC(=O)C[C@@H](Cc2cccc3ccccc23)C(=O)OC)NC1=O 1851714445 YHFORSYGAVDZGA-MRXNPFEDSA-N 421.453 1.883 30 10 HDEE CS(=O)(=O)N1CCN(c2ccccc2OCC(=O)Nc2cccc(C#N)c2)CC1 1852171322 LYNCOUPLZZQIKP-UHFFFAOYSA-N 414.487 1.657 30 10 HDEE C#Cc1cnc(Cl)cc1NC(=O)[C@@H](Cc1ccccc1)N1CCS(=O)(=O)CC1 1852292893 HTCDXYIUEQRIEC-GOSISDBHSA-N 417.918 1.997 30 10 HDEE Cc1nn2c(C)c(C(=O)NCC(=O)N3CCN(c4ccccc4)CC3)cnc2c1C#N 1852348499 VUOQSKUQPVONIY-UHFFFAOYSA-N 417.473 1.296 30 10 HDEE Cc1[nH][nH]c(=NC(=O)[C@H]2CCCN(c3nccn4nc5c(c34)CCCC5)C2)c1C#N 1852512733 OJYPWIHUTZUBPG-AWEZNQCLSA-N 404.478 1.788 30 10 HDEE CN(C(=O)[C@H]1CC(=O)N(C2CCCC2)C1)c1snc(N2CCOCC2)c1C#N 1852804900 HBNCVLGMARDBFJ-ZDUSSCGKSA-N 403.508 1.605 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1=O 1853785076 VIVOLXQSQHTVRR-CQSZACIVSA-N 410.492 1.666 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@@H]1CCN(C(=O)Cc2c(F)cccc2Cl)C1=O 1854186364 NWAHJEPSTUZUQR-DLBZAZTESA-N 407.873 1.868 30 10 HDEE C=CCC[C@@H](C)C(=O)N1CCC[C@H](N2CCN(c3ccc(OC)nn3)CC2)C1=O 1854310594 CBKMCINOTMUPOH-SJORKVTESA-N 401.511 1.727 30 10 HDEE CC(=O)N1CCC(C(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)CC1 1855145731 DKXFPWZLQQPWOP-OAHLLOKOSA-N 410.474 1.059 30 10 HDEE C[C@H]1C(=O)N(C(=O)CCc2ccc(C#N)cc2)CCN1S(=O)(=O)c1ccccc1 1855191824 LSSNRAGGOIENBW-INIZCTEOSA-N 411.483 1.939 30 10 HDEE Cc1nn(C)cc1C(=O)N1CC[C@H](N2CCC(Oc3ccc(C#N)cc3)CC2)C1=O 1855446767 BSTGBCIYEYEUHK-FQEVSTJZSA-N 407.474 1.885 30 10 HDEE C[C@H](Oc1cccc(F)c1)C(=O)N1C(=O)CN(S(=O)(=O)CC#N)c2ccccc21 1855719564 CTTQUUZJCIOVGJ-ZDUSSCGKSA-N 417.418 1.826 30 10 HDEE N#Cc1cccnc1N1CCN([C@H]2CCCN(C(=O)CCc3ccon3)C2=O)CC1 1855848233 ZSEWSXKNZNWBSH-SFHVURJKSA-N 408.462 1.214 30 10 HDEE C=CCN1C[C@@H](C)C(=O)N(C(=O)Cn2nnc3ccccc3c2=O)c2ccccc21 1856039723 TXQMDTPACDYAPZ-OAHLLOKOSA-N 403.442 1.993 30 10 HDEE C=C(C)CN1CC[C@H](N2CCN(C(=O)Cc3ccc(OC)c(OC)c3)C(=O)C2)C1 1856862350 OWSGEOFGWMNNRR-SFHVURJKSA-N 401.507 1.568 30 10 HDEE Cc1noc(C)c1CN1CC[C@@H](N2CCN(C(=O)c3cccc(C#N)c3)C(=O)C2)C1 1857324529 MEYHUKKFQGZPAS-LJQANCHMSA-N 407.474 1.722 30 10 HDEE C=CCN1C[C@H](C(=O)N2CCN(Cc3ccc(C#N)cc3F)C(C)(C)C2=O)CC1=O 1857421780 QVFZNMGVGYDVAX-QGZVFWFLSA-N 412.465 1.681 30 10 HDEE Cn1cc(CCC(=O)N2CCN(CC(=O)c3ccc(C#N)cc3)C(C)(C)C2=O)cn1 1857502056 PFQFYWCBJQDTEA-UHFFFAOYSA-N 407.474 1.557 30 10 HDEE C#CCOC(=O)NS(=O)(=O)c1ccc(CNC(=O)COc2ccccc2)cc1 1858961633 ILLOXGSBRJCKRV-UHFFFAOYSA-N 402.428 1.430 30 10 HDEE COc1cc(Cl)c(OC)c2c(=O)c(C(=O)N=c3[nH][nH]c(CC#N)c3C#N)c[nH]c12 1866440782 YCNXXYBMRAXZDQ-UHFFFAOYSA-N 412.793 1.534 30 10 HDEE C=CCN(CC=C)c1cc(N2CCN(c3nnc(C)n3C)CC2)nc(CCOC)n1 1869113844 NSNWAKYAONYBCN-UHFFFAOYSA-N 412.542 1.607 30 10 HDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCC(C(N)=O)CC1 1870523838 GNLAEVJSQWLJQP-OAHLLOKOSA-N 404.511 1.025 30 10 HDEE C=CCn1cc(OCC(=O)OCCC(C)C)c(=O)cc1CN1CCN(C(C)=O)CC1 1870580322 PWWMMOWNLJAGHH-UHFFFAOYSA-N 419.522 1.667 30 10 HDEE COc1ccc(S(=O)(=O)N2CCC[C@H](Oc3nccnc3C#N)C2)c([N+](=O)[O-])c1 1892100750 DWRUDUDTSMWSCN-ZDUSSCGKSA-N 419.419 1.497 30 10 HDEE C=C(Br)CS(=O)(=O)NCC[C@@H](NC(=O)OC(C)(C)C)C(=O)O 1931634609 JRAMCNOCLQIYRW-SECBINFHSA-N 401.279 1.182 30 10 HDEE C#CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@]1(C(=O)O)CCN(Cc2ccccc2)C1 1984788376 LTSGATDUYOHRCQ-VGSWGCGISA-N 415.490 1.749 30 10 HDEE CC(C)(C)OC(=O)N1CCN(C(=O)[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)[C@H](C#N)C1 1991831112 DBQXYTQRACSANC-JLTOFOAXSA-N 424.498 1.330 30 10 HDEE Cn1nc(Br)cc1[C@H](CN)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1C#N 2074364471 MZKUXUUXWIPXHK-AAEUAGOBSA-N 413.320 1.627 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2076821651 PRULAJGGUSCXBC-CXAGYDPISA-N 419.316 1.642 30 10 HDEE C=CCN(CC(=C)Br)C(=O)[C@]1(O)CCN(C(=O)OC(C)(C)C)C[C@H]1O 2076821652 PRULAJGGUSCXBC-DYVFJYSZSA-N 419.316 1.642 30 10 HDEE C#CC[C@](C)(CO)CNC(=O)[C@@]1(C)C[C@@H](OC)CN1C(=O)OCc1ccccc1 2140708860 KUWPHZATRQZDQT-BVYCBKJFSA-N 402.491 1.941 30 10 HDEE C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(S(=O)(=O)CC2(C#N)CCOCC2)C1 2174780771 YASULOYJAWNOQN-LSDHHAIUSA-N 401.529 1.872 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NS(=O)(=O)CC2(C#N)CCOCC2)C1 2174782045 LZDQKUYFXTTYFV-HUUCEWRRSA-N 401.529 1.920 30 10 HDEE CN1CCN(C(=O)OC(C)(C)C)[C@H](CNS(=O)(=O)CC2(C#N)CCCC2)C1 2174788038 AEDIKEKEDFLNLK-OAHLLOKOSA-N 400.545 1.541 30 10 HDEE C[C@@H](NS(=O)(=O)CC1(C#N)CCOCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 2174789740 USGJNEQFPOKLFR-HUUCEWRRSA-N 401.529 1.872 30 10 HDEE C#CCN(C1CCN(C(=O)OC(C)(C)C)CC1)[C@](C)(CN)[C@@H](C)S(C)(=O)=O 2194761241 MIUPKAZSFJKINT-DNVCBOLYSA-N 401.573 1.472 30 10 HDEE CC(C)(C)OC(=O)NC[C@H]1C[C@@H](O)CN1c1ncccc1B1OC(C)(C)C(C)(C)O1 2217454215 RRKGORCQCDPDNO-HUUCEWRRSA-N 419.331 1.845 30 10 HDEE COC[C@H](ONC(=O)OC(C)(C)C)C(=O)NCCC#CB1OC(C)(C)C(C)(C)O1 2244548764 UFMBHDCEFJRZPB-AWEZNQCLSA-N 412.292 1.599 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1C[C@@H](O)CN1c1cc(B2OC(C)(C)C(C)(C)O2)ccn1 2247287895 RUPASPGJXMUHQG-JKSUJKDBSA-N 419.331 1.845 30 10 HDEE CN(CCCNC(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1)C(=O)OC(C)(C)C 2247918247 OBHBVZFJRDZENF-UHFFFAOYSA-N 422.335 1.706 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)C[C@H](O)C1(C)C 2248433846 RJOBGSMMBNTXRE-QKKBWIMNSA-N 422.331 1.792 30 10 HDEE CC1(C)OB(c2cnc(C(=O)N[C@]34C[C@H]3CN(Cc3ccccc3)C4)nc2)OC1(C)C 2255843982 OQUDCEXRLUYJMT-SBUREZEXSA-N 420.322 1.780 30 10 HDEE CN[C@@H]1CCN(S(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267356665 NQLBMUAFYRAULB-SNVBAGLBSA-N 406.766 1.683 30 10 HDEE CC1(N)CC(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)C1 2267359818 PZAMEWAUJUGDRA-UHFFFAOYSA-N 406.766 1.859 30 10 HDEE CC1(C)OB(c2sc(S(=O)(=O)N[C@H]3[C@@H]4C[C@@H]3CN4)cc2Cl)OC1(C)C 2267709171 XIUSOKWEICVUMC-UBHAPETDSA-N 404.750 1.339 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)N[C@@H]2CCC[C@H]2S(C)(=O)=O)OC1(C)C 2282029507 SVBIQEZRCRYGFS-VXGBXAGGSA-N 400.331 1.138 30 10 HDEE Cc1nc(C(=O)N[C@H](C)CCS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282029844 XVKXUXUBMGQYAE-SNVBAGLBSA-N 402.347 1.304 30 10 HDEE CC1(C)CC[C@@H](NS(=O)(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)s2)CN1 2282333507 PQUSLATVRKADTC-GFCCVEGCSA-N 400.375 1.856 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CCC[C@H](O)C3)c(Cl)c2)OC1(C)C 2282834502 VPKGVDJKZQSWJA-ZDUSSCGKSA-N 401.721 1.785 30 10 HDEE CC[C@H]1NCC[C@@H]1NS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834892 NYAXCIALCCFGCB-NEPJUHHUSA-N 401.363 1.002 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)NC[C@@H]3CCCC[C@H]3N)s2)OC1(C)C 2282848963 UXPVIGYLUOGQBG-QWHCGFSZSA-N 400.375 1.843 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NCC[C@@H](O)C(F)(F)F)OC1(C)C 2282878039 AGKURKKALJYJHN-LLVKDONJSA-N 415.264 1.639 30 10 HDEE C[C@H]1C[C@H](C(=O)O)N(S(=O)(=O)c2cc(B3OC(C)(C)C(C)(C)O3)cs2)C1 2284397053 HUKHCKINVYEXEH-CMPLNLGQSA-N 401.315 1.531 30 10 HDEE CSCC[C@@H](NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284397110 IQBUDWIRDZYVRX-LLVKDONJSA-N 421.371 1.532 30 10 HDEE CC[C@H]1C[C@@]1(NS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284406431 YIKYWNIHFDPEIA-QFYYESIMSA-N 401.315 1.579 30 10 HDEE Cc1cc(S(=O)(=O)NC2CC(C(=O)O)C2)sc1B1OC(C)(C)C(C)(C)O1 2284406763 CBYGYNMIRNZMQM-UHFFFAOYSA-N 401.315 1.497 30 10 HDEE CSC[C@@H](NS(=O)(=O)c1cccc(B2OC(C)(C)C(C)(C)O2)c1)C(=O)O 2284407316 KEFZAJOTJHIKIC-CYBMUJFWSA-N 401.315 1.080 30 10 HDEE CC[C@](C)(CNS(=O)(=O)c1cscc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284416138 UQNXLHNEQLOQIW-MRXNPFEDSA-N 403.331 1.827 30 10 HDEE CCCOC(=O)CSc1nnc(CNC(C)=O)n1N=Cc1cccc([N+](=O)[O-])c1 2330795134 HUVBNRMIZXAYEQ-UHFFFAOYSA-N 420.451 1.750 30 10 HDEE CCN[C@H](C#CC1(OC)CCC1)[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 2362770013 DPIBCKQLVJREFZ-HZPDHXFCSA-N 400.541 1.571 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)CCN(C)C(=O)OC(C)(C)C 2365202189 NARZBNBKKDSEQL-DNVCBOLYSA-N 404.573 1.799 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@@H](N)C#CC(C)(C)S(C)(=O)=O)OCC12CC2 2365205122 RYPGCYHOBJTLNB-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H](C(=O)C#CC(C)(C)S(C)(=O)=O)C1CCOCC1 2365208987 FKPZTJVQGUCJER-OAHLLOKOSA-N 401.525 1.950 30 10 HDEE CC(C)(C)OC(=O)N1CCCC[C@@]1(C)[C@@H](O)C(=O)C#CC(C)(C)S(C)(=O)=O 2367103062 UFSJWKIJANMHDD-KXBFYZLASA-N 401.525 1.923 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H]([C@@H](N)C#CC2(S(C)(=O)=O)CC2)[C@@H](C(F)(F)F)C1 2367799928 FOTFXJVHXMEEHT-AVGNSLFASA-N 410.458 1.940 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)OCc3nnnn3Cc3ccccc3)cc2C1=O 10890325 VQFZNFCYBXDWJH-UHFFFAOYSA-N 403.398 1.860 30 10 HDEE CSCC[C@@H](C=O)OC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O 71788516 MIJCLXMVHRUXTO-ULQDDVLXSA-N 402.557 1.932 30 10 HDEE N#CCCn1cc(/C=C\C(=O)N2CCN(CC(=O)NC3CC3)CC2)c2ccccc21 96879264 YZNDSHZOZPYTAL-TWGQIWQCSA-N 405.502 1.991 30 10 HDEE COc1cc(/C=N/NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)cc([N+](=O)[O-])c1O 169907747 IPNXDGUJNUSGPY-FRKPEAEDSA-N 408.348 1.056 30 10 HDEE N#Cc1cscc1C(=O)N1CCN(S(=O)(=O)c2ccc3nc(O)[nH]c3c2)CC1 432048615 RHADZBDTGBLRPP-UHFFFAOYSA-N 417.472 1.348 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)CC1 433710629 UBDWUHXLUKSGET-UHFFFAOYSA-N 403.483 1.024 30 10 HDEE CN1CCN(c2cc(CNC(=O)Nc3cnn(-c4ncccc4C#N)c3)ccn2)CC1 462094802 CCOOGGKQRLKYFF-UHFFFAOYSA-N 417.477 1.607 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](OC)C[C@H]2CC(=O)OCC)c1 478771596 YHUCZTPDZCVTPQ-HOTGVXAUSA-N 410.492 1.334 30 10 HDEE N#Cc1ccc(CN2CC[C@H](NC(=O)C3CCN(C(=O)c4ccoc4)CC3)C2=O)cc1 486018141 LNTDZIKUAFKFKP-FQEVSTJZSA-N 420.469 1.921 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@]2(O)[C@H]3[C@H]4C[C@@H]5[C@H]6[C@@H](C[C@H]53)[C@@H]2[C@@H]64)c1 487357228 ONBNNQTUIWZKCO-YMPPPQHUSA-N 414.527 1.390 30 10 HDEE CS(=O)(=O)Cc1ccc(C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)o1 504598655 OVEDNGSHKPTACE-OAHLLOKOSA-N 419.484 1.850 30 10 HDEE Cc1cc(N2CCC[C@H](N3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)C2=O)n(C)n1 505995211 BSOBAGFIYLKOGQ-IBGZPJMESA-N 421.505 1.945 30 10 HDEE CC(C)(C)OC(=O)C[C@@](C)(C#N)C(=O)N1CCN(c2ncccc2C(N)=O)CC1 506199256 ONMJTDFZMJOAIA-FQEVSTJZSA-N 401.467 1.091 30 10 HDEE C=CCn1c([C@@H]2COCCO2)nnc1N1CCN(C(=O)c2cccc(OC)c2)CC1 508825957 MHHBSHQFTVGIRI-SFHVURJKSA-N 413.478 1.523 30 10 HDEE C=CCn1c(C(=O)NC(CC)CC)nnc1N1CCN(c2nccc(OC)n2)CC1 508855504 HOBANALTIRXHLG-UHFFFAOYSA-N 414.514 1.508 30 10 HDEE CN1C(=O)C[C@H](NCCS(=O)(=O)c2ccc(C#N)cn2)[C@@H]1c1ccc(Cl)cc1 514814768 XDOQIBJCWJMAMI-LPHOPBHVSA-N 418.906 1.942 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)CSc2nnc(-c3ccco3)n2CC)CC1 516696002 HNWHPSWWXGVMFA-UHFFFAOYSA-N 418.523 1.097 30 10 HDEE COCc1cc(NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)ncn1 536795230 HLHIJPVBOJJYFG-UHFFFAOYSA-N 416.463 1.033 30 10 HDEE CC(C)[C@@H]1C[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)CCO1 538969247 HXFDMNXOFUHASP-MSOLQXFVSA-N 420.535 1.778 30 10 HDEE COCCOc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@](O)(C(F)(F)F)C1 544159608 KDGMMZBVWBIYRE-MRXNPFEDSA-N 401.341 1.048 30 10 HDEE CC1(C)CCC[C@@]2(C1)NC(=O)N(CC(=O)N1CCN(c3cccc(C#N)n3)CC1)C2=O 544834589 IGNOOYGYOMHSLS-QFIPXVFZSA-N 424.505 1.493 30 10 HDEE N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2cccc(-n3cccn3)c2)CC1 569732385 KBUINFUNFKTEPM-UHFFFAOYSA-N 421.482 1.891 30 10 HDEE C=CCN1C(=O)c2ccc(C(=O)N3CSC[C@H]3C(=O)NC(C)(C)C)cc2C1=O 589848123 VFNSHNQRRBEDLL-HNNXBMFYSA-N 401.488 1.898 30 10 HDEE COC(=O)CNC(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C#N)CC2)cc1 603653319 PZMGUVWROIMHKI-UHFFFAOYSA-N 422.445 1.210 30 10 HDEE COCCOc1ncccc1NC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 609413777 QXXBQLUCECGVFL-UHFFFAOYSA-N 404.448 1.469 30 10 HDEE N#Cc1ccc(N2CCC(NC(=O)N3CCCC[C@@H]3CN3CCOCC3)CC2)nc1 610401874 IIPZDPPZJWGXFM-HXUWFJFHSA-N 412.538 1.818 30 10 HDEE N#CC(C(=O)C1CCCC1)=c1sc(=Cc2ccccn2)c(=O)n1C[C@@H]1CCCO1 679755635 YOIMIJCLAFFSGA-KRWDZBQOSA-N 409.511 1.746 30 10 HDEE C=CCOc1ccccc1C(=O)N1CCN(c2ccccc2S(N)(=O)=O)CC1 682391019 VZFCPSZICDUOAH-UHFFFAOYSA-N 401.488 1.861 30 10 HDEE CCCN[C@H](CC#CCOC)C[C@H]1CN(C(=O)OC(C)(C)C)CCS1(=O)=O 725054736 VWAHBPGHWSTOJO-SJORKVTESA-N 402.557 1.819 30 10 HDEE C#CCN1CCC[C@H]1COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1 729808638 DMMWFBNBNCCTMX-KRWDZBQOSA-N 419.547 1.792 30 10 HDEE COCCOc1ccc(C=c2sc(=C(C#N)C#N)n(C[C@H]3CCCO3)c2=O)cc1 730565461 WSHNUKGLNBHMHR-GOSISDBHSA-N 411.483 1.141 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1ccc(F)cc1NC(=O)c1ccoc1 732154184 POFLGJVOQQHZDE-LVZFUZTISA-N 412.377 1.927 30 10 HDEE C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCCN/C(O)=C1\N=CC=CC1=O 732155779 FTXMWXUQLFABFK-WVOMEGHKSA-N 420.466 1.529 30 10 HDEE CC1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C3CC3)[C@@H](C#N)C2)CC1 732705488 ABTCYBAXDZEYBC-SFHVURJKSA-N 423.517 1.696 30 10 HDEE COCCOC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(C3CC3)[C@H](C#N)C2)c1 732706338 MXWLRGZMAJTKIM-QGZVFWFLSA-N 415.450 1.019 30 10 HDEE Cc1ccc(C#N)cc1S(=O)(=O)NC(=O)[C@@H]1CCCN(C(=O)NCC(C)C)C1 741438428 IESACYQPPLUIPY-MRXNPFEDSA-N 406.508 1.749 30 10 HDEE N#Cc1ccc(CS(=O)(=O)NC(=O)[C@@H]2CSCN2C(=O)C2CCCC2)cc1 747801717 DRDIXJPCLKACLV-INIZCTEOSA-N 407.517 1.596 30 10 HDEE CNS(=O)(=O)c1csc(C(=O)NC2CCN(c3ccccc3C#N)CC2)c1 749529706 GVPJYVLUDUKSAP-UHFFFAOYSA-N 404.517 1.927 30 10 HDEE CC(C)[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)N1CCN(c2ncccn2)CC1 750429793 FWRZMWBRRKYLHW-HXUWFJFHSA-N 407.474 1.807 30 10 HDEE C[C@@H](OC(=O)Cc1cccc(C#N)c1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 750434396 USXOTODPBBIANZ-CQSZACIVSA-N 415.471 1.039 30 10 HDEE N#C[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)CCN1C1CC1 751955954 XWFCXKFSIAOICE-WBVHZDCISA-N 416.909 1.766 30 10 HDEE C#CCN(CC#C)S(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1OC 755112212 BDSLEPLTWGEUAY-UHFFFAOYSA-N 401.238 1.931 30 10 HDEE C=CCN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN3C(=O)OCC[C@@H]3C2)cc1 763925719 MMUJFYSSNXPYNA-OAHLLOKOSA-N 408.480 1.552 30 10 HDEE Cn1ccnc1[C@H](O)[C@H]1CCCN(C(=O)Nc2cnn(-c3ncccc3C#N)c2)C1 764739208 ATGQJJHEYCBBBS-DOTOQJQBSA-N 406.450 1.850 30 10 HDEE C#CCN(C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)[C@@H]1CCS(=O)(=O)C1 774187304 LXAPEHHTDLJOQY-APWZRJJASA-N 404.488 1.741 30 10 HDEE N#CC1(NC(=O)COC(=O)c2c(C(F)(F)F)nn(CCO)c2C(F)F)CCC1 784238876 VLZGEOUYEYCJON-UHFFFAOYSA-N 410.299 1.551 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)n1 788811236 SSVMGSVWBAJTGY-FQEVSTJZSA-N 410.474 1.923 30 10 HDEE CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)Nc2cc(C#N)ccn2)c1 788846025 OUADIPSMGIDHPR-UHFFFAOYSA-N 416.278 1.920 30 10 HDEE Cc1cc(N(CCC#N)C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)ccc1Cl 799919974 MGYWYALXDZYIBF-UHFFFAOYSA-N 420.853 1.769 30 10 HDEE C#CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1c(F)cccc1OC(F)(F)F 804960733 WIDIMOOXFSQGRJ-JTQLQIEISA-N 415.386 1.535 30 10 HDEE C#CC[C@@H](Cc1ccccc1)NC(=O)NCc1ccc(OC)c(S(N)(=O)=O)c1 808303245 YUZFXDNKZCPIIX-KRWDZBQOSA-N 401.488 1.776 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)OCC3(C#N)COC3)CC2)cc1 811041809 IOOXSRLLVBBOLV-UHFFFAOYSA-N 406.460 1.373 30 10 HDEE CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cscc2C#N)C1=O 814613934 XEQWSZNZEYEGNQ-IBGZPJMESA-N 412.427 1.665 30 10 HDEE Cn1cc(C=c2sc(=C(C#N)C(=O)c3ccccc3)n(C[C@H]3CCCO3)c2=O)cn1 837842216 DXBSAEVLHHNMGT-QGZVFWFLSA-N 420.494 1.208 30 10 HDEE COc1cccc([C@@H](C#N)NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)c1OC 1127752535 UFHHLUURIBWPSZ-JKSUJKDBSA-N 408.414 1.525 30 10 HDEE Cc1ncncc1COC(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 1128876244 DSPVUERZJMMGBW-UHFFFAOYSA-N 400.460 1.801 30 10 HDEE N#CCN(CC#N)C(=O)[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 1136559664 IYCHUJPVVANYQI-HXUWFJFHSA-N 404.426 1.762 30 10 HDEE C#CC[C@@H]1CCN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]23)C1 1148871456 MTHQALZVJUUNEX-QBPKDAKJSA-N 410.536 1.528 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)[C@@H]1CCc2nnc(-c3ccccc3)n2C1 1151150991 CHMDSHMSYJAHOA-OAHLLOKOSA-N 404.478 1.776 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCNC3=O)cc2)c1 1153352111 PWKIARWDTKXKOV-UHFFFAOYSA-N 412.471 1.058 30 10 HDEE Cn1c(=O)[nH]c(NCCc2ccc(I)s2)c(C#N)c1=O 1162375016 AKUNTBOMHJSRFM-UHFFFAOYSA-N 402.217 1.266 30 10 HDEE C#C[C@H](NC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1)c1ccccc1 1163096394 CTYIBCYBYMABFG-INIZCTEOSA-N 405.501 1.153 30 10 HDEE CC(=O)N[C@@](C)(C(=O)NOc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 1171256512 WFJGSQLAEYPTSP-LJQANCHMSA-N 401.444 1.423 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)C(CC)(CC)COCc2ccccc2)CC1 1175515060 PXNGAZWYRUNOJB-UHFFFAOYSA-N 421.563 1.621 30 10 HDEE COCCn1cc(CNC(=O)c2ccc(Br)cc2C#N)c(O)nc1=O 1175595752 ZIQCPTBYTXZDBR-UHFFFAOYSA-N 407.224 1.159 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)N[C@H](CO)C[C@@H]3CCCO3)C2)C1 1177981818 QBIJKUSCSFLFES-QHVLMSRDSA-N 407.511 1.819 30 10 HDEE Cc1nc(C#N)c(N2CCC(C(=O)N3CCC[C@@H]([C@]4(C)COC(=O)N4)C3)CC2)o1 1178125423 HQOUOFOMLMRJAU-QRWLVFNGSA-N 401.467 1.808 30 10 HDEE C#CCC1(NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CCCCC1 1178769396 KMFMWVWUCQTUOD-UHFFFAOYSA-N 411.549 1.505 30 10 HDEE COC(=O)/C=C1/SCC(=O)N1CCCN1CCN(c2ccsc2C#N)CC1 1196082654 AWKIFBZGMRJGPB-GZTJUZNOSA-N 406.533 1.722 30 10 HDEE COCC(=O)N1CCc2cc(NC(=O)N3CCN(c4ccc(C#N)nc4)CC3)ccc21 1203722553 HSVRDKOCOHEILY-UHFFFAOYSA-N 420.473 1.843 30 10 HDEE N#Cc1ccc(CCNS(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)cc1 1212482527 FUISDUVNMUERRI-UHFFFAOYSA-N 405.501 1.619 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)NCC2(c3ccccc3)CCCCC2)CC1 1221057580 OKKFKDZHUJVAHN-UHFFFAOYSA-N 418.563 1.683 30 10 HDEE N#Cc1ccc(N2CCC[C@H](NC(=O)N[C@H]3CCCN4CCSC[C@@H]34)C2=O)cc1 1226111416 IRQPVMZWYKFEKV-FHWLQOOXSA-N 413.547 1.933 30 10 HDEE C#C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1)C1CCOCC1 1231330114 BQXNQAACCIYZEH-IBGZPJMESA-N 421.519 1.140 30 10 HDEE CN(C[C@H](O)c1cccc(C#N)c1)C(=O)NCCN1Cc2ccccc2OCC1=O 1255287238 WGBCXPRCDNNXHW-IBGZPJMESA-N 408.458 1.654 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@](C)(O)C1CC1 1286284679 GFCNLAKGAQESIL-XOBRGWDASA-N 416.551 1.857 30 10 HDEE C#CCCCCn1c([C@H]2CCOC2)nnc1N1CCN2C(=O)N(CC)C(=O)[C@H]2C1 1286325139 WCKXQEXZFVWQCL-JKSUJKDBSA-N 400.483 1.058 30 10 HDEE C#CCN(C)c1nnc(COc2cc(C)ccc2C)n1CC1(C(N)=O)CCOCC1 1286378409 SPOZESJHQVSCTO-UHFFFAOYSA-N 411.506 1.825 30 10 HDEE C#CCN(c1nnc(CC2CC2)n1CC(C)(C)CCOC)[C@H]1CCS(=O)(=O)C1 1286390816 FKDGSUGKFMBXKE-KRWDZBQOSA-N 408.568 1.920 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1CCC(OC)CC1 1286408889 GGZOUDOZQCMNLT-LXPRWKDFSA-N 404.536 1.458 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CC1CCS(=O)(=O)CC1 1286411415 SJLKDUMBDFVRDD-UHFFFAOYSA-N 417.560 1.531 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCNC(=O)C(C)(C)C)CC1 1286489956 DTKCLNKKENUEHE-UHFFFAOYSA-N 414.554 1.674 30 10 HDEE C#CCSCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCc2ccccc21 1286496492 SIXBWGPUUCTGGA-AWEZNQCLSA-N 405.549 1.949 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2c(C)nn(C)c2C)C1 1286799011 QRIXJAJGKOJCIF-QGZVFWFLSA-N 413.526 1.694 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)(F)F)C1 1286802881 ATVRSDUHLVDNCT-CYBMUJFWSA-N 413.404 1.138 30 10 HDEE CC(C)NC1CCN(c2nnc(-c3cccc(C#N)c3)n2Cc2cnnn2C)CC1 1288261195 HYBXGWAFGNUYRN-UHFFFAOYSA-N 405.510 1.960 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(C)CCCO1 1288798840 CNDYOMHLUBISIE-KDOFPFPSSA-N 410.544 1.587 30 10 HDEE N#C[C@@]12CN(C(=O)Cc3csc(Cc4ccccc4)n3)C[C@H]1CS(=O)(=O)C2 1289201020 GBKAIYLKRPGHDV-KXBFYZLASA-N 401.513 1.673 30 10 HDEE Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@]1(O)CCSC1 1290858377 HWROIYHVCRFEDN-LJQANCHMSA-N 402.499 1.792 30 10 HDEE CC(C)(C)OC(=O)N1CC(O)(C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 1292723972 CEVLPGXMRLQXIX-UHFFFAOYSA-N 401.467 1.020 30 10 HDEE CCc1nnc(N2CCN(c3nccnc3C#N)C[C@H]2C)n1CCN1CCC[C@H](C)C1 1293113397 HICDCGQZDRGKNJ-ZWKOTPCHSA-N 423.569 1.949 30 10 HDEE CCN(CC)[C@H](C)Cn1c(N2CCO[C@@H](C#N)C2)nnc1[C@]1(OC(C)C)CCOC1 1295390059 KOEXUGZKYIENDS-LQWHRVPQSA-N 420.558 1.778 30 10 HDEE CCS(=O)(=O)C[C@H](C)N(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(C#N)o1 1297668017 GENDGGPNQKTCJY-UONOGXRCSA-N 407.496 1.554 30 10 HDEE C[C@H]1CN(C(=O)C2CN(c3ccc(Br)cc3C#N)C2)[C@H](C)CN1CCO 1299563466 LXUPLIFKGHLZEK-UONOGXRCSA-N 421.339 1.670 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnn(C)c2)n1CCNC(=O)c1cccc(OC)c1 1300300072 WNJRHQPQHQCFOW-OAHLLOKOSA-N 407.478 1.575 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2OCC[C@H]2COC)n1C[C@@H]1CCCN(C(C)=O)C1 1300327411 CASCZLUMIZMAHT-NQYYFHDYSA-N 403.527 1.719 30 10 HDEE C#CCCCCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCO[C@@H](COC)C1 1300347612 CIBZHRUXBUCCTQ-LJQANCHMSA-N 422.493 1.576 30 10 HDEE C#CCCCCn1c(-c2ccccc2C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 1300351975 DCTHGIZAVMXIIV-QGZVFWFLSA-N 406.490 1.204 30 10 HDEE C#CCN(CC#C)c1nnc(C2(c3ccccc3)CCC2)n1C[C@]1(O)CCN(C)C1 1300513018 UVVMPUOCUOPMSH-QHCPKHFHSA-N 403.530 1.888 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCCOC2)n1C[C@H]1CCCCS1(=O)=O 1300581272 QKBNJQBZMIJOFG-ZWKOTPCHSA-N 404.536 1.602 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3OC)n2C[C@@](C)(O)CCOC)CC1 1300692277 CAIVLKVDKJCSMY-QFIPXVFZSA-N 413.522 1.496 30 10 HDEE C=C(Br)Cn1c(-c2cnccn2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1300839049 CGCGONNLGGKTFH-GXTWGEPZSA-N 418.299 1.891 30 10 HDEE C=C(Cl)Cn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](CC)[C@@H](N2CCOCC2)C1 1301036987 OPBCFYHQXDEAEH-JYJNAYRXSA-N 408.934 1.529 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 1301236180 AJSVRMADQURNQF-BBWFWOEESA-N 412.556 1.982 30 10 HDEE COCCC1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCO[C@H](C#N)C2)CC1 1301460320 BJKYNLPBXPHSNR-OAHLLOKOSA-N 411.466 1.471 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCOC2)nnc1N1CC[C@](O)(c2cccc(F)c2)C1 1301501569 ZDLYQWTYASAREU-YCRPNKLZSA-N 415.469 1.321 30 10 HDEE C=CCNC(=O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CC)[C@@H](C)C1 1301508152 FHUNJANGVDYEME-KRWDZBQOSA-N 422.537 1.349 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](CO)[C@@H](O)C2CCCCC2)ccc1F 1301842156 PGOQTQFAOUVEHK-AEFFLSMTSA-N 414.499 1.322 30 10 HDEE COCCOCCn1c(C2CCC2)nnc1N1CCN(c2ccc(C#N)cn2)CC1 1302229864 NNRQHIFNQAGZMD-UHFFFAOYSA-N 411.510 1.802 30 10 HDEE CC(C)(Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@](F)(C#N)C1)N1CCCCC1 1302338120 GDXRFLQIDGMNLK-QRWLVFNGSA-N 403.506 1.936 30 10 HDEE CC(C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCCC(=O)NC1CC1 1302644098 LHJZEXVHZVVOEQ-UHFFFAOYSA-N 409.494 1.995 30 10 HDEE CC(C)Oc1ccc(S(=O)(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)cn1 1309460942 CDMUDTHGUKBLIF-GOSISDBHSA-N 414.487 1.820 30 10 HDEE C#CC[C@@H]1CCN(S(=O)(=O)[C@H]2CN(C(=O)OCc3ccccc3)C[C@@H]2OC)C1 1309853615 XMQKHXJKUMGSIZ-NEWSRXKRSA-N 406.504 1.697 30 10 HDEE C#C[C@@H](NC(=O)NCCS(=O)(=O)NC1CC1)c1ccc(Br)cc1 1312936959 NGMRUJIUGMXAJC-CQSZACIVSA-N 400.298 1.504 30 10 HDEE C#C[C@H](NC(=O)N1CCO[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1)C1CCOCC1 1313042864 JNXHTYDVIBFMEX-UWJYYQICSA-N 407.511 1.836 30 10 HDEE CCOCc1nnc(N2CCN(c3ncc(F)cn3)CC2)n1Cc1ccc(C#N)o1 1314390852 AHZPTOLUEYZCCO-UHFFFAOYSA-N 412.429 1.583 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N(CCC#N)CC2CC2)n1C[C@]1(O)CCOC1 1316280855 PGAZYVOVWGFAHS-ABSDTBQOSA-N 405.499 1.284 30 10 HDEE CN1CCC/C1=N/S(=O)(=O)c1cccc(NC(=O)[C@]2(C)CCCS2(=O)=O)c1 1354286025 NDXOATXFUFXNIX-STZPCZCHSA-N 413.521 1.405 30 10 HDEE C=C(C)C[C@@H](NC(C)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1 1357947912 TZKYWEVCEVCMLM-CYBMUJFWSA-N 419.956 1.705 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2cnccn2)n1CCn1cc(Br)cn1 1358885530 LUUMJNTZPXSFJP-GFCCVEGCSA-N 401.272 1.852 30 10 HDEE C#CCCCn1c(Cn2nc(C)cc2C)nnc1N1CCC[C@H](S(C)(=O)=O)C1 1358933071 GWEFEHPSHULHIG-KRWDZBQOSA-N 404.540 1.567 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncccc1N(C)C 1358985781 HGTJPLHIHZXXSZ-HSZRJFAPSA-N 422.533 1.902 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCNC(=O)C(C)C)CC1 1359040177 KSEXEWNTJHZWPE-UHFFFAOYSA-N 416.570 1.704 30 10 HDEE C=CCN(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CCCN1S(C)(=O)=O 1359244034 NJKDBZJBOQCILM-MRXNPFEDSA-N 407.544 1.186 30 10 HDEE C=CCN(c1nnc(-c2cccc(C)n2)n1C[C@]1(O)CCS(=O)(=O)C1)C1CC1 1359249909 UWMJGYNUIXOWRG-LJQANCHMSA-N 403.508 1.353 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCC(CC#N)CC1 1359291319 LZEFJZGMGFXOQW-UHFFFAOYSA-N 401.515 1.629 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1359328006 QMYZABXAKJAWSB-IYBDPMFKSA-N 424.910 1.761 30 10 HDEE CC(C)NC(=O)CCn1c(-c2ccc(C#N)cc2)nnc1N1CC[C@]2(CNC(=O)C2)C1 1360261372 HKRHIOFLZWKSQH-QFIPXVFZSA-N 421.505 1.448 30 10 HDEE CS(=O)(=O)CCCCCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O 1435961845 GATWSGALQOIOBJ-INIZCTEOSA-N 420.491 1.094 30 10 HDEE CN1C(=O)CN(CC(=O)N2C[C@@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)C1=O 1439789908 SOJIXIGGFWDZJG-KNVOCYPGSA-N 423.260 1.510 30 10 HDEE C=CC[C@@H](NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1)c1ccncc1 1444212039 XAKVAXHDDOESDN-QGZVFWFLSA-N 423.516 1.197 30 10 HDEE C=CCn1nc(C)c(-c2cc(C(=O)N3CCN(CC(C)(C)O)[C@@H](C)C3)n[nH]2)c1C 1447803437 UAGDLRJFPJKKGI-AWEZNQCLSA-N 400.527 1.993 30 10 HDEE CC#CC[C@@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccc(Br)cc12)NC(C)=O 1452856750 GNOBUDLPLJYVJU-MAUKXSAKSA-N 420.307 1.868 30 10 HDEE CCOC(=O)c1c[nH]nc1[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(C#N)cc3)C2)C1 1454223604 VLHQBGYWVNDDKL-CVEARBPZSA-N 421.457 1.827 30 10 HDEE Cc1ccc([C@@](O)(CC(=O)Nc2[nH]nc(N3CCOCC3)c2C#N)C(F)(F)F)o1 1454631106 DTZWXJHXBQDCQG-INIZCTEOSA-N 413.356 1.798 30 10 HDEE C#CCN1CCC(C(=O)N[C@H]2CC3(CN(C(=O)OC(C)(C)C)C3)n3ccnc32)CC1 1456227873 QHBRHTOVEWWKCH-KRWDZBQOSA-N 413.522 1.735 30 10 HDEE CCC1(Cn2cc(C(=O)Nc3ccc(N4CCC(O)CC4)c(C#N)c3)nn2)COC1 1466018568 ZELACOLPORNDOO-UHFFFAOYSA-N 410.478 1.790 30 10 HDEE C#CCNS(=O)(=O)c1cccc(C(=O)N2CCOc3ccc(OC)cc3C2)c1 1468289006 FQWAXAJCYHSAJM-UHFFFAOYSA-N 400.456 1.642 30 10 HDEE C#CC[C@@H](NC(=O)[C@@H]1CCCN(C(=O)N2CCc3sccc3C2)C1)C(=O)OC 1468875473 LLVDSMKBQKVYSF-HZPDHXFCSA-N 403.504 1.619 30 10 HDEE CCOC(=O)CON=C(C(=O)Nc1cccc([C@H](C)C(=O)OC)c1)c1cc[nH]n1 1468970275 KVSHKTAKKOMQSB-LBPRGKRZSA-N 402.407 1.609 30 10 HDEE O=C(CCN/C(O)=C1/N=CC=CC1=O)N[C@H](c1ccccc1)C1(CO)CCOCC1 1469486212 IUFJIGWTYJOUGY-GOBJLOIFSA-N 413.474 1.550 30 10 HDEE C[C@@H]1CN(c2cccc(CN(C)[C@H](C)C(=O)NC3(C#N)CCC3)c2)S(=O)(=O)C1 1473430157 VTSSFKHNCUISQZ-HZPDHXFCSA-N 404.536 1.855 30 10 HDEE C#CCC[C@H](O)CNC(=O)N[C@@H]1CC2(CN(C(=O)OC(C)(C)C)C2)n2ccnc21 1479456090 YHPIJZBOBZAOET-LSDHHAIUSA-N 403.483 1.347 30 10 HDEE CCOCc1nnc(N2CCOC3(CCC3)C2)n1CCN/C(O)=C1/N=CC=CC1=O 1503124481 BRGQUTPBNVUNPE-ZCXUNETKSA-N 416.482 1.100 30 10 HDEE CCS(=O)(=O)NCCn1c(-c2ccc(C#N)cc2)nnc1N1CCC(F)(F)C1 1503279785 BMNCEMXTRWIDRJ-UHFFFAOYSA-N 410.450 1.601 30 10 HDEE CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(C#N)cc2)n1C[C@H](C1CC1)N(C)C 1503704145 DXROLEFOPIFOIW-DNVCBOLYSA-N 409.538 1.975 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@@H]3CCCOC3)n2CCCNC(=O)C2CCC2)C1 1505315472 QWSNLWFUVCGZFY-OXQOHEQNSA-N 404.490 1.920 30 10 HDEE C#CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCCc1ccccc1 1507617734 ZHEHWMQMQZWKIJ-GOSISDBHSA-N 417.535 1.313 30 10 HDEE C#CCN(c1nnc(C(C)C)n1CC1(C(N)=O)CCCC1)[C@@H]1CCS(=O)(=O)C1 1507622969 NEAXADITNQRYOM-OAHLLOKOSA-N 407.540 1.074 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2ccncc2)n1C[C@@]1(C)CN(C2CC2)C1=O 1507711936 MKQZFDXIUXCBNW-JOCHJYFZSA-N 408.506 1.361 30 10 HDEE C=C(C)COCCn1c(C(=O)NC(C)C)nnc1N1CCC[C@H](CNC(C)=O)C1 1507835721 KMPFNDQMYMFVMD-QGZVFWFLSA-N 406.531 1.362 30 10 HDEE CC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(C#N)o2)[C@H](C)C1 1508231725 IBFXFCURRNTLLJ-CQSZACIVSA-N 411.466 1.084 30 10 HDEE C[C@H](Cn1c(COc2ccc(C#N)cc2)nnc1N1CC[C@H](C(N)=O)C1)N(C)C1CC1 1510074806 BHXCKECGSQKIKQ-WBVHZDCISA-N 423.521 1.523 30 10 HDEE CCCN(CCC)CCCn1c(-c2cnn(C)c2)nnc1N1CCO[C@H](C#N)C1 1514760646 GTZXAZCOHCCXEK-GOSISDBHSA-N 400.531 1.919 30 10 HDEE COC(=O)[C@@H]1O[C@@H](C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCN3C)c2)C[C@H]1C 1516185950 VCSORYWFDYZUAR-JDNVSCOESA-N 423.491 1.405 30 10 HDEE Cn1cccc1-c1nnc(N2CCO[C@H](C#N)C2)n1CCCNC(=O)OC(C)(C)C 1517398457 OLNOOZGYULSJNS-OAHLLOKOSA-N 415.498 1.927 30 10 HDEE CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(C#N)cc2F)CCS(=O)(=O)CC1 1530328822 JWIRMEIXPOUWIV-UHFFFAOYSA-N 410.467 1.850 30 10 HDEE Cc1cnc(S(C)(=O)=O)nc1C(=O)NC1(c2cccc(C#N)c2)CCOCC1 1533083315 KRMZKWDKIWBORO-UHFFFAOYSA-N 400.460 1.496 30 10 HDEE COC(=O)CCN(CC#N)C(=O)c1ccc(OC)c(S(=O)(=O)NC2CCCC2)c1 1535418120 ZPGRKPJQOREZMU-UHFFFAOYSA-N 423.491 1.445 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cc2ccccc2F)n1C[C@H]1CCCN1S(C)(=O)=O 1539020419 BJZBZLPJOGJLIZ-NVXWUHKLSA-N 419.526 1.890 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2csc(C)n2)n1CCN1CCOCC1(C)C 1539284774 BIVRCVSCTWOUMI-UHFFFAOYSA-N 412.563 1.817 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cnn(-c3ccccc3)c2)n1Cc1cnnn1C 1539312229 LVLNHIZUGDWKMR-UHFFFAOYSA-N 411.473 1.771 30 10 HDEE C#CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)SC 1539368709 BDYQKAPNZRXWOA-CQSZACIVSA-N 415.585 1.212 30 10 HDEE C#CCN1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2CCC[C@@H]2OC)CC1 1539428641 VHGMFYBTLPMVHN-MSOLQXFVSA-N 423.521 1.496 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C3CCC3)n2CCc2nnc(C)s2)CC1 1539481294 KONDAIPBZGYPJL-UHFFFAOYSA-N 413.551 1.914 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cn2nc(C)cc2C)n1Cc1ccc(C(N)=O)nc1 1539562726 BTVQHNSGXAZZRH-JOCHJYFZSA-N 418.505 1.674 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@](C)(O)CCOC 1539668685 CEUHQEWNURYXGY-CRAIPNDOSA-N 400.545 1.370 30 10 HDEE C=C(C)COCCn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O 1539744255 GVXLGJCNMZAFRJ-KKUMJFAQSA-N 413.544 1.080 30 10 HDEE C=CCCOCCn1c([C@@H]2CCOC2)nnc1N1C[C@@H](N2CCOCC2)[C@H](C)C1 1540036921 XPRFWYIYZUMUOL-GUDVDZBRSA-N 405.543 1.532 30 10 HDEE C=CCN(c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CC(=O)N(C)CC)C1CC1 1540104253 XKEDVAPEDTXAJF-UHFFFAOYSA-N 421.505 1.825 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)C2(CC(C(=O)NCc3nnnn3C3CC3)C2)C1 1545090371 BAHBUZMJJOMGJG-MLZJXEJWSA-N 401.471 1.411 30 10 HDEE CN(CC(=O)N1CCOCC1)c1nnc(-c2cccc(C#N)c2)n1C[C@H]1CCCOC1 1554124362 AGLFBRALENICAJ-GOSISDBHSA-N 424.505 1.538 30 10 HDEE COC[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H]2OC(=O)O[C@@H]2C1)OC 1555252246 XLFGQLQLDGWZGD-GVDBMIGSSA-N 413.434 1.592 30 10 HDEE COCCCN(C)CCn1c(-c2ccc(C#N)cc2)nnc1N1CCNC(=O)CC1 1555484500 UVLPDCDFUVCWDK-UHFFFAOYSA-N 411.510 1.111 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)Nc2c[nH]cc(Br)c2=O)c1 1556095425 SLDGSKNIXMLBAC-UHFFFAOYSA-N 414.212 1.826 30 10 HDEE C=CCN(C(=O)CNC(=O)c1ncccc1O)[C@H](Cc1ccccc1)C(=O)OCC 1556205289 XIWWLDIASRVZJO-QGZVFWFLSA-N 411.458 1.706 30 10 HDEE COCCN(C)CCN1C[C@H](NC(=O)c2c(Cl)cc(C#N)cc2Cl)CC1=O 1556884633 GOZGJDVZDZVIAW-CYBMUJFWSA-N 413.305 1.774 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[C@@H]1CC[C@@H](C(F)(F)F)O1 1558264698 XIATUGWMDFXQJX-WHOFXGATSA-N 419.425 1.841 30 10 HDEE C#CCN1CCC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(Cl)cc3)C2=O)C1 1558329019 JAIFUZRTQWBJOE-WBVHZDCISA-N 402.882 1.759 30 10 HDEE Cc1ccc(C(=O)NC[C@@H]2CCCCN2CCO)cc1B1OC(C)(C)C(C)(C)O1 1569435255 CPFOPIVYRVJRFZ-SFHVURJKSA-N 402.344 1.871 30 10 HDEE CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1 1586488318 PJWMSCMLFNBSPO-ZIAGYGMSSA-N 402.517 1.114 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@]2(OCC)CCOC2)n1Cc1ncnn1C(C)(C)C 1587567858 KZSNRECINNXECB-MGPUTAFESA-N 401.515 1.783 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(Cn2nc(C)cc2C)n1C[C@H]1CC(=O)N(CCOC)C1 1587661427 BBPJLGKZNNQWQD-AEFFLSMTSA-N 413.526 1.093 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1ccc(OC(C)C)nc1 1587990288 VAVSGARTXVPFOU-INIZCTEOSA-N 403.508 1.480 30 10 HDEE C#CC[C@@H]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 1588167409 VZHIWAQWBPAKBI-GDBMZVCRSA-N 402.472 1.496 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cc(C(C)(C)C)no2)CC1 1588806508 TZXWJMJLYASRNZ-INIZCTEOSA-N 411.510 1.318 30 10 HDEE C#CCSCCn1c(N2CCC(C(=O)NCCOC)CC2)nnc1C(C)(C)C 1589125721 PMBJGGZRVFJRMI-UHFFFAOYSA-N 407.584 1.921 30 10 HDEE C=CCC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 1594511054 JUOJEQAQDPPNPN-KRWDZBQOSA-N 423.521 1.013 30 10 HDEE C=CCNC(=O)Cn1c(Cc2ccc(F)cc2)nnc1N1CC[C@](C)(C(=O)NC)C1 1595556091 NKRFNTQVXMHXKP-NRFANRHFSA-N 414.485 1.273 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O 1595788966 LXBYTOGIRNSRSM-ZIAGYGMSSA-N 418.585 1.404 30 10 HDEE C=CCSCCn1c([C@@H]2CCCOC2)nnc1N1CCC(OCC(N)=O)CC1 1595878174 JTNAGKHUXXEJOP-OAHLLOKOSA-N 409.556 1.562 30 10 HDEE C=CCCC[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)OC 1596244878 RKYOPMWJEOCALF-CABCVRRESA-N 411.499 1.516 30 10 HDEE C=CCCC[C@@H](NC(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C)C(=O)OC 1596245100 USDGIIYXLZKQQM-OAHLLOKOSA-N 400.435 1.975 30 10 HDEE C[C@@]1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(CCC#N)CC2CC2)COCCO1 1611804182 MIRFIKNBVYDDNP-VQIMIIECSA-N 423.539 1.116 30 10 HDEE Cc1c(C#N)c(=O)n(CC(=O)N(C)CCCOc2ccc(F)cc2)c(=O)n1C1CC1 1614828292 YNGRUPWMVVTTPA-UHFFFAOYSA-N 414.437 1.592 30 10 HDEE CN1CCN(c2nnc(-c3cccc(C#N)c3)n2CCCO[C@@H]2CCOC2)CC1=O 1618479415 DZBKFFFIKIIUSQ-GOSISDBHSA-N 410.478 1.291 30 10 HDEE N#Cc1ccc(-c2nnc(N3CCC(OCC(N)=O)CC3)n2Cc2nccs2)cc1 1620350181 FAFKOXDJKJSRLB-UHFFFAOYSA-N 423.502 1.792 30 10 HDEE N#CC1CCN(c2nnc(C(=O)N3CCCC3)n2CCCO[C@@H]2CCOC2)CC1 1620351513 CHQFTHXVJGYQJW-QGZVFWFLSA-N 402.499 1.450 30 10 HDEE CN1CC[C@]2(CCCN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C2)C1 1624440382 FFDAEXBLZZYREN-HXUWFJFHSA-N 404.536 1.450 30 10 HDEE C=C[C@H](O)C(=O)N1CCN(C(=O)c2ccccc2I)CC1 1626338673 GNYCQJATTUXZSF-ZDUSSCGKSA-N 400.216 1.123 30 10 HDEE N#C[C@@]1(C(=O)N=S2(=O)CCN(C(=O)OCc3ccccc3)CC2)CCCOC1 1626443188 HCVXKSYZLUTEIP-IBGZPJMESA-N 405.476 1.954 30 10 HDEE CN1CCN(C)[C@H](CNC(=O)C2CC3(C2)CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)C1 1627802112 GIQLRBYUEVVHKR-JWRWLIQVSA-N 405.543 1.135 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H]([C@H]2CCCO2)C2(CO)CCC2)c1 1631187057 MFFOGBIYZFLQCH-QZTJIDSGSA-N 408.520 1.591 30 10 HDEE COc1cc([C@H](C#N)NC(=O)CNS(=O)(=O)c2ccccc2)cc(OC)c1OC 1631576516 NIULMEUJUSSCEW-HNNXBMFYSA-N 419.459 1.372 30 10 HDEE CC(C)(C)OC(=O)N1CCc2cc(C#N)ccc2[C@H]1C(=O)NCC1(CO)COC1 1632301795 OPGHJUVKVFNISR-KRWDZBQOSA-N 401.463 1.518 30 10 HDEE COc1ccc(CNC(=O)/C=C/C(=O)Nc2cnn(-c3ncccc3C#N)c2)cc1 1633595943 CCVWDCXFJFWYDJ-CMDGGOBGSA-N 402.414 1.959 30 10 HDEE CCn1c(S)nnc1CCNC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N 1634109390 ZZVKVJZZFBHDJN-NEPJUHHUSA-N 409.516 1.187 30 10 HDEE C#CCNS(=O)(=O)N1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 1636480849 XMANDWXREPQUJB-UHFFFAOYSA-N 404.319 1.538 30 10 HDEE C#Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c1 1638023317 HCHMRXUEJZVYMY-IPMKNSEASA-N 402.516 1.394 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cncc(C#N)c3)CC2)cc1 1638830519 CWODPWUQTANQLL-UHFFFAOYSA-N 409.471 1.542 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1Cc2ccccc2NC(=O)[C@H]1C 1640307024 ITVBLENWIZBMJQ-ZIAGYGMSSA-N 412.471 1.594 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(CC(=O)OC(C)(C)C)CCC1 1640712075 QMTYPGLCRMCFFE-AWEZNQCLSA-N 421.519 1.996 30 10 HDEE COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)C(=O)/C=C/c2ccc(F)cc2)CCO1 1641743395 PMGYMTTXQYIDKI-CLNPQZTCSA-N 407.438 1.994 30 10 HDEE C#C[C@@H](NC(=O)CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1CCOCC1 1641858632 VGXDBDLEAYDFJZ-AEFFLSMTSA-N 409.527 1.587 30 10 HDEE C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(C)CC1 1644490055 ASTNZBYOCNWLGO-PGRDOPGGSA-N 420.513 1.827 30 10 HDEE C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[C@H](C2CCOCC2)C1 1645204636 COVCCCAJBKGJOF-YJBOKZPZSA-N 405.520 1.890 30 10 HDEE C=CCC1(O)CCN(C(=O)[C@@H]2CCCN(CCNC(=O)OC(C)(C)C)C2=O)CC1 1645772323 YTSYFWTXLSACEF-MRXNPFEDSA-N 409.527 1.679 30 10 HDEE COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H](Nc2ccc(C#N)cn2)C1 1646094706 ALNGTHGROBDHCG-CVEARBPZSA-N 403.483 1.896 30 10 HDEE C#CC1(O)CCN(C(=O)CNC(=O)c2ccccc2I)CC1 1646157448 RKBZPGBIZHWXEL-UHFFFAOYSA-N 412.227 1.008 30 10 HDEE O=C(CCN/C(O)=C1\N=CC=CC1=O)NCc1ccc(Br)cc1[N+](=O)[O-] 1651040574 QPJCYHQUMHLONI-FOCLMDBBSA-N 423.223 1.890 30 10 HDEE COCCn1cc(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)c(C)n1 1654530596 BBAHVAFTSCZITE-UHFFFAOYSA-N 408.256 1.635 30 10 HDEE Cc1ccc(NC(=O)CN2C[C@H]3CS(=O)(=O)C[C@]3(C#N)C2)c(Br)c1 1654885833 SUUCITCYOQJEBW-LRDDRELGSA-N 412.309 1.566 30 10 HDEE CN1C[C@]2(C)CN(CC(=O)N3CCN([C@H](C#N)c4ccc(F)cc4)CC3)C[C@@]2(C)C1 1655234861 VFXVCESUAYKQEH-YMPZKCBVSA-N 413.541 1.808 30 10 HDEE N#Cc1ccc(CNC(=O)CN2CCn3ncc(I)c3C2)cc1 1655681243 VDFBXYFOPPBMJD-UHFFFAOYSA-N 421.242 1.491 30 10 HDEE C=CCCC[C@@H](NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC)C(=O)OC 1656973420 DRCIYDUEKKTXCD-CYBMUJFWSA-N 418.899 1.884 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(CO)CCCN(CCS(=O)(=O)c2ccc(C#N)cc2)C1 1660432982 HHLZEUHYKCBBRE-HXUWFJFHSA-N 423.535 1.684 30 10 HDEE C=CCNC(=O)c1cccc(S(=O)(=O)N[C@@H](C2CCOCC2)C2(CO)CCC2)c1 1662658483 OWTQRARWIISHEQ-IBGZPJMESA-N 422.547 1.839 30 10 HDEE Cc1cc(CS(=O)(=O)N2CCN(c3cc(-c4ccc(C#N)cc4)[nH]n3)CC2)on1 1662973431 ACGHWDQZMJFJCQ-UHFFFAOYSA-N 412.475 1.897 30 10 HDEE C=CCOC[C@H](NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC[C@@H]2C)C(=O)OC 1663617186 DBAJSPPYDNXYKI-GUYCJALGSA-N 410.492 1.569 30 10 HDEE Cn1ncc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4C#N)CC3)cnc21 1665036253 GDLJOEURBFBNQE-UHFFFAOYSA-N 400.439 1.490 30 10 HDEE C#CCN(C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CCN(C)CC1 1676648964 PWEJEXUUBORZKU-UHFFFAOYSA-N 411.550 1.313 30 10 HDEE Cn1nnc(CNC(=O)N2C[C@H]3[C@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)n1 1680773387 MQVCYVDNQMQTIT-WDSKDSINSA-N 408.253 1.523 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 1684426018 RMIOQZFOFXNINF-CQSZACIVSA-N 401.435 1.019 30 10 HDEE C#CCN(C(=O)NCc1ccccc1C(=O)OC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 1687187586 BDEFNEQZHJNHAL-MRXNPFEDSA-N 406.504 1.974 30 10 HDEE C#CCCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)=O)C[C@H]1C 1689908200 ZLXHJLDXSDTBNZ-NEWSRXKRSA-N 403.527 1.863 30 10 HDEE C#CCCCn1c(N2CC[C@@H]3OC(=O)O[C@@H]3C2)nnc1[C@]1(OC(C)C)CCOC1 1689941410 PDFAXNFRSSEBMT-YRNRMSPPSA-N 404.467 1.846 30 10 HDEE C=C(C)CN(CC)c1nnc(Cc2ccccn2)n1CCN1CCCS1(=O)=O 1690268560 PNWZVYKSAARKRZ-UHFFFAOYSA-N 404.540 1.702 30 10 HDEE C=CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1690474982 AMHOFJOFQZIWKH-UHFFFAOYSA-N 407.522 1.993 30 10 HDEE C=CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 1690648146 ISDUEBHABHRSRE-GOSISDBHSA-N 401.559 1.191 30 10 HDEE COCCO[C@H](C)c1nnc(N2CC[C@@](F)(C#N)C2)n1CC[S@@](=O)C(C)(C)C 1698134375 JGSDXCKTVLXBTI-UHDQZEEOSA-N 415.535 1.991 30 10 HDEE COCCOCCn1c(Cc2ccncc2)nnc1N1CCN(C2CC2)[C@@H](C#N)C1 1698226031 MVQVLSFLJUQAMK-IBGZPJMESA-N 411.510 1.103 30 10 HDEE C=C[C@@H]1OCC[C@H]1C(=O)N1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CNC(=O)c1ccoc1C 1702987576 XVKVJRMWOIUFST-XABWRGDLSA-N 401.463 1.157 30 10 HDEE C#CCN(c1nnc(-c2cnn(C)c2)n1CCCSCC)[C@H]1CCS(=O)(=O)C1 1705566347 NMHQQEQZWVWCJO-INIZCTEOSA-N 422.580 1.449 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCOC3)n2CCNC(=O)OC(C)(C)C)CC1 1705639300 LJGONOZWVNGATM-INIZCTEOSA-N 404.515 1.062 30 10 HDEE C=C(Cl)Cn1c([C@H](C)OCCOC)nnc1N1CCN(C[C@H]2CCOC2)CC1 1705746116 QOPQKLRWKQWIMC-DLBZAZTESA-N 413.950 1.913 30 10 HDEE C=CCN(CCc1ccco1)c1nnc(CN2CCCC2=O)n1C[C@@]1(O)CCOC1 1705879661 HTJQIOCFXPDRDQ-NRFANRHFSA-N 415.494 1.380 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCOC2)nnc1N1CCN(Cc2cccc(C)c2)CC1 1705903549 XWWPOBFUHSGBFN-HXUWFJFHSA-N 424.549 1.715 30 10 HDEE C=CCNC(=O)Cn1c(CC2CCCC2)nnc1N1CCO[C@@H](c2nnc(C)o2)C1 1705907305 HXEXSMBROCFSED-MRXNPFEDSA-N 415.498 1.582 30 10 HDEE C=CCNC(=O)Cn1c(COCC)nnc1N1CCN(C(=O)c2ccccc2)CC1 1705908550 SBKLBBSYSNOYFJ-UHFFFAOYSA-N 412.494 1.079 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCCCO2)CC1 1706937672 QKFBYQDUKSLCBX-CVEARBPZSA-N 407.540 1.879 30 10 HDEE C[C@@H]1CCN(c2nnc(C3CCCC3)n2CCN/C(O)=C2\N=CC=CC2=O)C[C@@H]1O 1712834047 PAKDDCKDADXRAL-AGLAPXLDSA-N 414.510 1.669 30 10 HDEE N#Cc1ccc(Cn2c(Cc3cccnc3)nnc2N2CCC[C@@H](CC(N)=O)C2)o1 1712880696 FDHUCVALORIVAA-INIZCTEOSA-N 405.462 1.869 30 10 HDEE C#CCCCn1c(Cc2cccnc2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1 1722335814 ZERAXWCNGYNFFT-GOSISDBHSA-N 416.551 1.443 30 10 HDEE C#CCN1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)CN2CCCCC2)CC1 1722438610 VATVVGWLUCPHRK-IBGZPJMESA-N 410.570 1.556 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1nnc2n1CCC2 1722504683 JMVIIOWIPUNCGZ-HXUWFJFHSA-N 401.515 1.919 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(Cc2cccnc2)nnc1N1CC[C@@](C)(C(N)=O)C1 1722507770 GNMKOMFUKILHHC-LQBOVUBWSA-N 410.522 1.947 30 10 HDEE C=C(C)[C@H]1OCC[C@@H]1Cn1c(Cc2ccccn2)nnc1N1CCS(=O)CC1 1722510956 WBSXEOKPXMVWJK-VQIMIIECSA-N 401.536 1.814 30 10 HDEE C=C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N[C@@H](C)CC)CC1 1722566602 VLFUQKRRBMJDLW-HOTGVXAUSA-N 409.556 1.641 30 10 HDEE C=CCN(CC=C)c1nnc([C@@]2(OCC)CCOC2)n1C[C@@H]1CCCS(=O)(=O)C1 1722664981 DYNOMPMILNVXIW-FXAWDEMLSA-N 424.567 1.933 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)NC(CC)CC)nnc1N1CCOC(C)(C)[C@H]1C 1722691812 AFLPEYIEOAZMGU-CQSZACIVSA-N 406.531 1.502 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(-c3cccc([N+](=O)[O-])c3)n2Cc2cnnn2C)C1 1722713071 AUWXLNMWTCDFRT-QGZVFWFLSA-N 410.438 1.811 30 10 HDEE CC(C)O[C@@]1(c2nnc(N3CCO[C@@H](C#N)C3)n2CCCCCCO)CCOC1 1723691449 LMQKEVRQSFENJA-PXNSSMCTSA-N 407.515 1.600 30 10 HDEE C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1CC1(C)CCC1 1723952956 PQBOAWMPSPYXRN-GDBMZVCRSA-N 421.571 1.255 30 10 HDEE Cc1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@]1(C)CN(C)C1=O 1726402894 LABZABUJIILUEJ-FQEVSTJZSA-N 413.913 1.917 30 10 HDEE CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccc(C#N)cc2)n1Cc1snnc1C 1727649403 HDYCYMSCYXBFGJ-OAHLLOKOSA-N 408.491 1.740 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](CC)NC(=O)OC(C)(C)C 1740549263 LGXPMMHGZUIRIS-RRFJBIMHSA-N 404.515 1.990 30 10 HDEE C#CCCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)Cc1ccoc1 1740574323 KIAUYSRYOJXKBL-QGZVFWFLSA-N 421.523 1.644 30 10 HDEE C#CCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 1740589215 RPXWRVHRYXYLLV-KRWDZBQOSA-N 413.526 1.371 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CCCCC2)CC1 1740703820 BHLUBSIFUTWLFM-UHFFFAOYSA-N 424.553 1.130 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2CCN2CCCCC2)CC1 1740710273 VBRJAPYWVGXSAH-LJQANCHMSA-N 414.554 1.581 30 10 HDEE C=CCCCCn1c(CN2CCCC2=O)nnc1N1CC[C@H](NC(=O)NC2CC2)C1 1740865176 KOQNXKFIPPAGMC-KRWDZBQOSA-N 415.542 1.797 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc([N+](=O)[O-])c2)nnc1N1CCn2nc(C)nc2C1 1740954267 HGUILQDEJPYKQN-UHFFFAOYSA-N 423.437 1.076 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1C[C@@H](O)CC2(CCCC2)C1 1740958981 YDVMGAYFHAIPQD-DLBZAZTESA-N 403.527 1.953 30 10 HDEE C=CCNC(=O)Cn1c(-c2noc3c2COCC3)nnc1N1C[C@@H](C)C[C@@H](C)C1 1740959269 PMXGFNQGGUXGKP-OKILXGFUSA-N 400.483 1.790 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 1740989876 BBPFAALLOPRBPD-IAGOWNOFSA-N 418.523 1.484 30 10 HDEE CC(C)O[C@]1(c2nnc(N3CC[C@H](C(N)=O)C3)n2Cc2ccc(C#N)o2)CCOC1 1741725920 QVMLYWWGUOQBKM-VBKZILBWSA-N 414.466 1.143 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1Cc1cnn(C)c1C 1748784273 HUMAPNICRQABOG-UHFFFAOYSA-N 402.462 1.352 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1 1749268689 FMTBFDSCXUVSOB-HOTGVXAUSA-N 409.918 1.752 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)N(C)C2CC2)C1 1749717893 QHKMBCDVLZBINH-SJLPKXTDSA-N 402.543 1.665 30 10 HDEE COC[C@@H]1CCO[C@@H]1c1nnc(N2CCO[C@@H](C#N)C2)n1CCCOC(F)F 1750154333 LSOKTHUCNLGIJE-IHRRRGAJSA-N 401.414 1.360 30 10 HDEE N#C[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCCOC(F)(F)F)CCN1C1CC1 1750387134 RIRMFSYHAUKLKG-ZFWWWQNUSA-N 414.432 1.885 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@H](C)Oc1ccccc1 1760098323 QVVQWYXAHFEZAQ-JYJNAYRXSA-N 405.524 1.814 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)c2ccco2)CC1 1760137735 XEWVZMHPXRTNDJ-INIZCTEOSA-N 410.478 1.588 30 10 HDEE C#CCN(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CC[C@H](O)C1 1760172121 MWDSBXSZBZCGPM-SFTDATJTSA-N 409.534 1.856 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1ccc2c(c1)COC2 1760218854 OMIGGCPJZUUCQE-LJQANCHMSA-N 424.526 1.722 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc(C)cc1C 1760242425 CPOQZBXTQSAURE-QGZVFWFLSA-N 419.551 1.639 30 10 HDEE C#CCN1CCN(c2nnc(C3CCC3)n2CCCN2C[C@H](C)O[C@H](C)C2)CC1 1760259103 GNIBMHDWUKCNCW-KDURUIRLSA-N 400.571 1.800 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3cccn3C)n2CC(C)(C)COC)CC1 1760267840 CCHQDRAVGHVIHE-UHFFFAOYSA-N 412.538 1.922 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(-c2nnc(O)c3ccccc23)n1CC(=O)NCC=C 1760293960 JMSMMDZGYKFOST-JOCHJYFZSA-N 417.473 1.888 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCOC[C@H]1C 1760294823 HGKAAODSQLUXCS-AXVVYFOYSA-N 406.552 1.845 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@@H]2CCCOC2)n1CCN/C(O)=C1\N=CC=CC1=O 1760295421 SKWAXFAZBMWYDH-XBEJARPLSA-N 424.505 1.691 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(Cc2cccnc2)n1CCC[C@@H]1NC(=O)NC1=O 1760296068 KKUFIFLAEVVUEE-HRAATJIYSA-N 407.478 1.244 30 10 HDEE C=C(C)COCCn1c([C@H]2CCC(=O)N2)nnc1N1CCO[C@H](c2noc(C)n2)C1 1760356777 WWRRQLFSBSZEKO-CABCVRRESA-N 417.470 1.091 30 10 HDEE C=C(Cl)Cn1c(Cc2ccccn2)nnc1N1CCN(CC(=O)NC2CC2)CC1 1760376803 DYZKEFGGJMVSGS-UHFFFAOYSA-N 415.929 1.417 30 10 HDEE C=CCN(Cc1cccc(C#N)c1)c1nnc([C@H]2CCC(=O)N2)n1CCn1cncn1 1760479458 POVKZRVWPBEGCD-GOSISDBHSA-N 417.477 1.585 30 10 HDEE C=CCN(CC=C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC(C)(F)F 1760495283 JTIVNTJKDBUENV-CQSZACIVSA-N 419.498 1.835 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N(C)C1CCC(NC(C)=O)CC1 1760524412 XBVBLBJWHDUOET-DAWZGUTISA-N 418.542 1.705 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2C[C@]2(C)CN(C)C2=O)C1 1760536660 IPYHHGWXJVDCKX-TYCQWZJGSA-N 419.526 1.190 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H]2CCS(=O)(=O)C2)C1 1760543130 PYYHGBBIHRPRJQ-YESZJQIVSA-N 410.540 1.388 30 10 HDEE CC(C)(O)Cn1c(COc2ccc(C#N)cc2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 1760821167 GSDRUOLRQKUSSN-ZWKOTPCHSA-N 424.505 1.747 30 10 HDEE CC1(C)CCC[C@]1(O)Cn1c(CN2CCCC2=O)nnc1N1CC[C@](F)(C#N)C1 1761553277 HWSKSWUZURGOEY-PMACEKPBSA-N 404.490 1.784 30 10 HDEE Cc1ccc(OCc2nnc(N3CCO[C@@H](C#N)C3)n2Cc2nncn2C)cc1C 1761837003 BEMSUPGTMFWVJA-KRWDZBQOSA-N 408.466 1.380 30 10 HDEE CC[C@@H](C)c1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CCOCCOC 1763657142 UOGZIQBWTYBUNQ-CQSZACIVSA-N 400.483 1.990 30 10 HDEE COCCO[C@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2Cc2ccn(C)n2)C1 1770107593 OEFSIYSHSBCTRU-IBGZPJMESA-N 407.478 1.840 30 10 HDEE N#CCCN(CC1CC1)c1nnc(CNC(=O)c2cccs2)n1CC1(O)CC1 1770756430 DLZMRZNPRJAFKS-UHFFFAOYSA-N 400.508 1.925 30 10 HDEE N#C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(O)cc2)CCO1 1771536024 GUFGOQVSOQDFCI-KRWDZBQOSA-N 419.445 1.602 30 10 HDEE COCCN1CCN(Cc2ccc(C(=O)Nc3ncc(C#N)cc3C#N)cc2)CC1 1850843351 DMZWHAFEEYRMDK-UHFFFAOYSA-N 404.474 1.841 30 10 HDEE CN(C)C=NC(=S)N(C)C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccccc1Cl 1851347305 HOHHNBUSBQVQJK-ZDUSSCGKSA-N 416.956 1.826 30 10 HDEE N#CC1CCN(C(=O)C2CCN([C@@H]3CCN(C(=O)c4ccccc4)C3=O)CC2)CC1 1853675580 KWVOXKBUXFFZLH-HXUWFJFHSA-N 408.502 1.902 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCCN(C(=O)c2cc(Cl)ccn2)C1=O 1854100241 PKCIVWJVOLNKCK-IRXDYDNUSA-N 404.898 1.975 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCN(C(=O)c2c(OC)cccc2OC)C1=O 1854186744 UQDFCGXYYXBXLA-GJZGRUSLSA-N 401.463 1.164 30 10 HDEE COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)[C@H](C)C2=O)c1 1854641376 DBZASIDEILXNKR-CQSZACIVSA-N 413.455 1.629 30 10 HDEE C=CCN1C[C@@H](C(=O)N2C(=O)CCN(CCn3ccnn3)c3ccccc32)CC1=O 1855819540 SQNNSPWPQCCEBR-INIZCTEOSA-N 408.462 1.083 30 10 HDEE C[C@H]1C(=O)N(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)CCN1CCC#N 1856197894 ASPNJXYRAQJDCE-DLBZAZTESA-N 418.519 1.060 30 10 HDEE C[C@H](CCC#N)N1CCN(C(=O)c2cnc(O[C@@H]3CCOC3)c(Cl)c2)C(=O)C1 1856386843 KXAGEENWZUSQQF-UKRRQHHQSA-N 406.870 1.879 30 10 HDEE N#Cc1cccc(C(=O)N2CC[C@@H](N3CCC[C@H](COc4ncccn4)C3)C2=O)c1 1856411205 AMBCETWBMVAYAA-PKOBYXMFSA-N 405.458 1.880 30 10 HDEE N#CCC(=O)N1C[C@H](C2CCN(CC(=O)c3ccc4c(c3)OCCO4)CC2)CC1=O 1857232834 DYYCNMVOUFUVMO-QGZVFWFLSA-N 411.458 1.641 30 10 HDEE C=CCN(C[C@@H]1CC(=O)N(C(=O)c2cncc3cccnc23)C1)[C@@H]1CCN(C)C1=O 1857299508 QISDSAVSXCYDMV-MAUKXSAKSA-N 407.474 1.337 30 10 HDEE C=CCn1cc(OCC(=O)N[C@H](C)CC)c(=O)cc1CN1CCC2(CC1)OCCO2 1870525921 PMENGYACUAEHSN-QGZVFWFLSA-N 419.522 1.667 30 10 HDEE C=CCN(CC=C)c1nc(=NCCCO)[nH]c(=Nc2ccc(OC)c(OC)c2)[nH]1 1871542594 WEKLNPLRJQLPCI-UHFFFAOYSA-N 400.483 1.449 30 10 HDEE C=CCn1c(C(=O)Nc2ccc3nc[nH]c3c2)cc2c(N(CCO)CCO)ncnc21 1873645927 FEQUEUCWBSIEHS-UHFFFAOYSA-N 421.461 1.537 30 10 HDEE C=CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3cn(C)c(=O)n(C)c3=O)cc21 1889544942 MFLBILAHRSOVJV-UHFFFAOYSA-N 412.446 1.274 30 10 HDEE CC(C)(C)OC(=O)NCC[S@](C)(=O)=NCCS(=O)(=O)c1ccc(C#N)cc1 2174567520 GRFHJIPUKWGRPT-SANMLTNESA-N 415.537 1.954 30 10 HDEE CC[C@H](C#N)S(=O)(=O)N=[S@@](=O)(N(C)C)N1CCN(C(=O)OC(C)(C)C)CC1 2174784591 PQNRHILFCNQSKQ-PFUSGODGSA-N 423.561 1.031 30 10 HDEE C[C@](NC(=O)C(F)(F)F)(C(=O)N[C@](C)(CC(F)(F)F)C(=O)O)C(F)(F)F 2180580458 DMGUCHQFDBUMTI-SFYZADRCSA-N 406.201 1.898 30 10 HDEE N#Cc1cc(N)ccc1S(=O)(=O)Nc1ncccc1I 2202451832 JTEDDWYGVFNAJF-UHFFFAOYSA-N 400.201 1.941 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1COC[C@H]1NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)o1 2247865154 QCCCVTFEKWFZOP-CHWSQXEVSA-N 422.287 1.601 30 10 HDEE C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1cn(C)nc1B1OC(C)(C)C(C)(C)O1 2247918888 RLIFGINDTPGECI-CYBMUJFWSA-N 422.335 1.705 30 10 HDEE CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)NCCC#CB2OC(C)(C)C(C)(C)O2)C1 2249999368 VEYGMJGMOYQFDL-HOTGVXAUSA-N 422.331 1.745 30 10 HDEE CCS(=O)(=O)NS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2256908901 UOCXSTXATAWHCQ-UHFFFAOYSA-N 415.751 1.329 30 10 HDEE C#Cc1cccc(NS(=O)(=O)C[C@@H](NC(=O)OCc2ccccc2)C(=O)O)c1 2258181967 VODJQKSGFRMQEX-QGZVFWFLSA-N 402.428 1.789 30 10 HDEE Cn1cnc(NS(=O)(=O)c2cc(Cl)c(B3OC(C)(C)C(C)(C)O3)s2)n1 2267702730 KZFFSYZESRDSTJ-UHFFFAOYSA-N 404.710 1.630 30 10 HDEE Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1NS(=O)(=O)C1CC2(C1)OCCO2 2277956554 RUKKHUOPDREONP-UHFFFAOYSA-N 409.313 1.941 30 10 HDEE Cc1nc(C(=O)NC(C)(C)CS(C)(=O)=O)c(B2OC(C)(C)C(C)(C)O2)s1 2282020941 FWALDVYMYBYYNG-UHFFFAOYSA-N 402.347 1.304 30 10 HDEE C[C@H]1CCN[C@@H]1CNS(=O)(=O)c1cc(Cl)c(B2OC(C)(C)C(C)(C)O2)s1 2282303782 AUYOQIQIRJHSPY-CMPLNLGQSA-N 420.793 1.977 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)NC[C@H]2CCCCCN2)OC1(C)C 2282347174 UJUHLAYVVXFVKN-CYBMUJFWSA-N 400.375 1.858 30 10 HDEE C[C@@H](NS(=O)(=O)c1ccc(Cl)c(B2OC(C)(C)C(C)(C)O2)c1)C1CNC1 2282415219 DQEYDWSMKWZMGR-LLVKDONJSA-N 400.737 1.525 30 10 HDEE CC(C)CC1(O)CN(S(=O)(=O)c2cscc2B2OC(C)(C)C(C)(C)O2)C1 2282497522 QZXCDFVJWUSHTO-UHFFFAOYSA-N 401.359 1.829 30 10 HDEE C[C@H]1C[C@@H](N)CN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282501476 XOPFDASYTCCGCD-GXTWGEPZSA-N 400.375 1.546 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)N[C@]23CCOC[C@@H]2C3)OC1(C)C 2282504272 MIPBRLOAPKLRCC-ZBEGNZNMSA-N 400.331 1.041 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CCOC[C@@H](CO)C3)sc2Cl)OC1(C)C 2282613526 LXENGTGLGIHXRK-LLVKDONJSA-N 401.721 1.782 30 10 HDEE CC1(C)OB(c2cnsc2C(=O)NCC[C@H]2CCCS2(=O)=O)OC1(C)C 2282616898 CEIZRUFCTLKUFI-LLVKDONJSA-N 400.331 1.139 30 10 HDEE CC1(C)OB(c2csc(C(=O)N3CCOC[C@@H](CO)C3)c2Cl)OC1(C)C 2282638777 RLLZGHBRAVJXCI-LLVKDONJSA-N 401.721 1.782 30 10 HDEE Cc1cc(S(=O)(=O)N[C@H]2CC[C@@H](C)NC2)sc1B1OC(C)(C)C(C)(C)O1 2282825713 LRGQKNVHEHEWTK-OLZOCXBDSA-N 400.375 1.775 30 10 HDEE Cc1cc(S(=O)(=O)NCCC2CC(O)C2)sc1B1OC(C)(C)C(C)(C)O1 2282834383 TVAJHIQCRDTFLX-UHFFFAOYSA-N 401.359 1.795 30 10 HDEE C[C@H]1OCC[C@H]1CNS(=O)(=O)Cc1ncsc1B1OC(C)(C)C(C)(C)O1 2282834947 OFHXBAOBGREPGD-NEPJUHHUSA-N 402.347 1.287 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)NCC3(F)CC(CN)C3)c2)OC1(C)C 2282848205 KMLMHZIIFXJIRG-UHFFFAOYSA-N 404.338 1.403 30 10 HDEE CC1(C)OB(c2ccsc2S(=O)(=O)N2C[C@@H](N)[C@H](C(F)F)C2)OC1(C)C 2282858143 SCNKHCMPLGPMEL-MWLCHTKSSA-N 408.301 1.260 30 10 HDEE C=C(CS(=O)(=O)N1CCCC[C@H]1CS(C)(=O)=O)B1OC(C)(C)C(C)(C)O1 2282872354 VJCHDWKMDIKRPI-AWEZNQCLSA-N 407.363 1.403 30 10 HDEE CC1(C)OB(c2cscc2S(=O)(=O)NC[C@@H]2CC(F)(F)CN2)OC1(C)C 2282881407 XJQRHYMRESEVKO-JTQLQIEISA-N 408.301 1.323 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N3CC[C@@H]3C(=O)O)c(Cl)c2)OC1(C)C 2284396848 ZBMNUYCOECMQMP-GFCCVEGCSA-N 401.677 1.487 30 10 HDEE CC1(C)OB(c2csc(S(=O)(=O)N3CC[C@]3(C)CC(=O)O)c2)OC1(C)C 2284400587 XALKAGWTMFSAOE-MRXNPFEDSA-N 401.315 1.675 30 10 HDEE CCSC[C@H](NS(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1)C(=O)O 2284410001 PXWWYSXPTRELKO-NSHDSACASA-N 421.371 1.532 30 10 HDEE CC1(C)OB(c2cc(C(=O)N3CC[C@](O)(C(=O)O)C3)sc2Cl)OC1(C)C 2284445005 ARKRUZGEHCDGHV-MRXNPFEDSA-N 401.677 1.362 30 10 HDEE CC1(C)OB(c2cccc(Cl)c2S(=O)(=O)N[C@@H]2COC(=O)C2)OC1(C)C 2296243405 LJMZINDXVKOYOM-JTQLQIEISA-N 401.677 1.233 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CC1)[C@@]1(O)CCCN(C(=O)OCc2ccccc2)C1 2342064473 SFSKKBVCNZPGIE-GHTZIAJQSA-N 420.531 1.319 30 10 HDEE CC(C)(C)OC(=O)N1CC(F)(F)[C@@](C)(NS(=O)(=O)c2ccc(C#N)nc2)C1 2361663592 YGORPMYFVYLTOQ-HNNXBMFYSA-N 402.423 1.876 30 10 HDEE COC[C@@]1([C@H](O)C#CC2(S(C)(=O)=O)CCC2)CCCN1C(=O)OC(C)(C)C 2367788707 QDIMNNOZMXNSAE-DNVCBOLYSA-N 401.525 1.734 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CC1)[C@H]1C[C@H](OC)CN1C(=O)OC(C)(C)C 2367792686 RETXDJHBIQVVKQ-ARFHVFGLSA-N 400.541 1.570 30 10 HDEE CCN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@](O)(CF)CNC(=O)OC(C)(C)C 2367811571 JWRNGPKELDOGBN-RDTXWAMCSA-N 406.520 1.161 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@](O)([C@H](N)C#CC2(S(C)(=O)=O)CC2)C1 2367822908 XRHHKUAPHUGMBA-CLCXKQKWSA-N 400.541 1.340 30 10 HDEE C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C2=C1CN(CC(=O)NCCOC)C2=O 35968881 QDAIJVULGBWORA-GOSISDBHSA-N 418.881 1.451 30 10 HDEE C=CCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 54016320 ZOCCUAZYCUUDHA-MRXNPFEDSA-N 401.492 1.340 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NCc2nc(-c3cccc(F)c3)no2)CC1 426810971 KLURYJZUKXMNGA-UHFFFAOYSA-N 402.430 1.005 30 10 HDEE C=CCCCNC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1 448032376 VJYQQVRSMUMZLP-UHFFFAOYSA-N 412.468 1.586 30 10 HDEE CN(C)C(=O)[C@@H](Cc1ccccc1)NC(=O)Nc1cnn(-c2ncccc2C#N)c1 462093696 UWBBOWAVMLXIST-GOSISDBHSA-N 403.446 1.960 30 10 HDEE C[C@H](C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)n1cnc(C#N)n1 466948270 FTNRLXWRJBTIME-SECBINFHSA-N 402.358 1.190 30 10 HDEE Cc1nn(C)c(N2CCN(c3cc(Br)cnc3C(N)=O)CC2)c1C#N 472426754 CSARDDMTRDHOSW-UHFFFAOYSA-N 404.272 1.183 30 10 HDEE C[C@](O)(Cn1ccccc1=O)C(=O)N1CCN([C@@H](C#N)c2cccc(Cl)c2)CC1 473582765 MQPGSHOFVOOREM-RXVVDRJESA-N 414.893 1.662 30 10 HDEE N#Cc1cccnc1-n1cc(NC(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)cn1 480051270 NOHDCJAQAAWEBK-CQSZACIVSA-N 409.372 1.524 30 10 HDEE C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCCOc1ccc(F)cc1F 481749578 LYUDKXGGVMMHSB-LBPRGKRZSA-N 409.414 1.698 30 10 HDEE N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)[C@@]23[C@@H]4[C@H]5C(=O)[C@H]2[C@@H]2[C@@H]5C[C@@H]4[C@@H]23)CC1 504003366 RURGMWGNIITAQQ-DRJGWGCHSA-N 416.437 1.782 30 10 HDEE N#Cc1ccccc1N1CCN(C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)CC1 505697400 HQNJTAQPPJUGER-IMFGXOCKSA-N 413.547 1.933 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCC2(F)F)CC1 505922694 KOJQKMDCLRXEGE-IBGZPJMESA-N 420.504 1.590 30 10 HDEE CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 508684500 XXCWBJQAZUDSMI-GBESFXJTSA-N 419.551 1.124 30 10 HDEE C[C@@H](Oc1ccccc1C#N)C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO 510962108 NBPHGOZTVCAOJP-OAHLLOKOSA-N 417.487 1.255 30 10 HDEE C[C@H]1C(=O)N(CCS(=O)(=O)c2ccc(C#N)cn2)C(=O)N1c1ccc(F)cc1 518246805 SXHKYBSDXZLPRC-LBPRGKRZSA-N 402.407 1.723 30 10 HDEE Cc1ccc(NC(=O)CN(C[C@H](C)C#N)C2CC2)cc1S(=O)(=O)N1CCOCC1 533596645 MURROUYXPGAAFN-OAHLLOKOSA-N 420.535 1.579 30 10 HDEE CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)NCCC#N)cc3)[C@H]2C1 534371314 XXDKSOYTOBRKOA-BPQIPLTHSA-N 407.492 1.287 30 10 HDEE C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCC[C@@H]3CCOC3)nnc12 541529471 IQZQDRNGTQPLOO-CQSZACIVSA-N 413.503 1.865 30 10 HDEE CS(=O)(=O)Nc1cc(C(=O)N2CCN(c3cccc(C#N)n3)CC2)ccc1Cl 544865351 IIENHISKGQBZAR-UHFFFAOYSA-N 419.894 1.941 30 10 HDEE CCn1c(-c2ccoc2)nnc1N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 558827286 WDFMQUUSUHGSGR-UHFFFAOYSA-N 412.475 1.941 30 10 HDEE N#C[C@@H]1CN(c2nnc(-c3ccc(-n4cnnn4)cc3)n2Cc2ccccc2)CCO1 558924618 IPQBJADMXCVSHS-LJQANCHMSA-N 413.445 1.698 30 10 HDEE CCn1c(=C(C#N)C(=O)C2CCC2)sc(=Cc2c(Br)cnn2C)c1=O 559968180 AHABLTMMYGDBIN-UHFFFAOYSA-N 421.320 1.298 30 10 HDEE C=CCCCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 562615869 XQAVQQZPKCLJKO-AWEZNQCLSA-N 401.510 1.240 30 10 HDEE Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N(C)CCOCc1ccc(C#N)cc1 564095200 RDQRWKRQLVIFCI-UHFFFAOYSA-N 419.551 1.771 30 10 HDEE N#Cc1ccncc1N1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3)C2=O)CC1 568705767 IOBFIUSYEBNRRI-LJQANCHMSA-N 404.474 1.980 30 10 HDEE C=C(C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS[C@@H](C)C1 572382399 VCLNZWHLPJDABB-UONOGXRCSA-N 401.558 1.129 30 10 HDEE C=CCN1CC[C@]23c4c5ccc(OC)c4O[C@@H]2C2(CC[C@@]3(O)[C@H]1[C@@H]5O)OCCO2 575417066 PBUSATFNAWNBPM-BVJIBDCISA-N 401.459 1.269 30 10 HDEE in-vitro COc1ccccc1CNC(=O)C(=O)NCC1CCN(c2nccnc2C#N)CC1 585226845 CFEVJWVNENEVIM-UHFFFAOYSA-N 408.462 1.006 30 10 HDEE C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 613785045 RQBYSHJVDPISNB-HNNXBMFYSA-N 410.499 1.962 30 10 HDEE C#CCN(C(=O)[C@H]1CC(=O)N(c2ccc(CCC)cc2)C1)[C@H]1CCS(=O)(=O)C1 729332725 WAORMGICNKYYMZ-HKUYNNGSSA-N 402.516 1.641 30 10 HDEE O=C(COc1ccc(Cl)c2cccnc12)NCCN/C(O)=C1/N=CC=CC1=O 731861447 BNTBTDOYXWNRJE-HNENSFHCSA-N 400.822 1.910 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)c1n[nH]c2ccc(Br)cc12 732153897 LYRGXBMXIUSWBY-JQIJEIRASA-N 404.224 1.582 30 10 HDEE COc1ccc(OC)c(CN(C(=O)NCCN/C(O)=C2/N=CC=CC2=O)C2CC2)c1 732466999 RXRPADZIQHQPSB-VXPUYCOJSA-N 414.462 1.904 30 10 HDEE N#C[C@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CCN1C1CC1 732674452 HRHFWRXFXLYYKA-PMACEKPBSA-N 401.486 1.581 30 10 HDEE C=CCNC(=O)CN1CCN(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 734275957 SGUMVVKRUFJSQM-MRXNPFEDSA-N 409.531 1.015 30 10 HDEE O=C(NCCN/C(O)=C1/N=CC=CC1=O)NCc1nccn1CCc1ccccc1 751791807 ASFZIHPRYYEMLM-VXPUYCOJSA-N 408.462 1.451 30 10 HDEE CC(=O)c1ccc(C#N)cc1NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 754010331 HIPPQBJPITWOIO-UHFFFAOYSA-N 413.503 1.720 30 10 HDEE CN1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)[C@@H](CNC(=O)OC(C)(C)C)C1 756764215 CRBXICCQQGMVAC-AWEZNQCLSA-N 412.487 1.527 30 10 HDEE C#CCN(CC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)C1CCCC1 756911817 XGIDEXCFJPEXLV-UHFFFAOYSA-N 402.520 1.974 30 10 HDEE CC[C@]1(c2ccccc2)NC(=O)N(NS(=O)(=O)c2ccc(F)c(C#N)c2)C1=O 767548716 LGJVEBMDLRRFHR-GOSISDBHSA-N 402.407 1.748 30 10 HDEE CC(C)(C)OC(=O)N1CCC[C@@]2(CCN2C(=O)CCN/C(O)=C2/N=CC=CC2=O)C1 768298392 ZJVPRTDXOFDQFP-RPBSFSNWSA-N 418.494 1.905 30 10 HDEE CC(=NNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O)[C@H]1C[C@H]1c1ccccc1Cl 771892253 OWBNSCSDVNKZTB-OLZOCXBDSA-N 410.883 1.195 30 10 HDEE C#CCN(C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1)[C@H]1CCS(=O)(=O)C1 774228302 RZDOXEBFKRGRBL-GPANFISMSA-N 413.540 1.654 30 10 HDEE COC(=O)NCCc1ccc(S(=O)(=O)NCC2CCN(CC#N)CC2)s1 788067115 HQPVNHVUOQNSMY-UHFFFAOYSA-N 400.526 1.160 30 10 HDEE C#CCn1ccc(CN(CCOC)C(=O)c2cc(S(N)(=O)=O)ccc2Cl)n1 788815220 VWRGEQJBLUEVBO-UHFFFAOYSA-N 410.883 1.106 30 10 HDEE CC(C)(C)OC(=O)N[C@@]1(C(=O)O)CCN(S(=O)(=O)CC2(C#N)CCCC2)C1 790629163 KAHMHCFAUGDXKQ-KRWDZBQOSA-N 401.485 1.454 30 10 HDEE C#CCOCCN1C(=O)[C@H](CC(=O)NCCN(C)C)SC1=Nc1ccsc1 790748208 LKGOQODMHCYNJW-HNNXBMFYSA-N 408.549 1.397 30 10 HDEE C=CC[C@@]1(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)CCCN1C(=O)OC(C)(C)C 790851747 NJNYUUGUTPSCHP-KXBFYZLASA-N 415.556 1.825 30 10 HDEE C=CCN(CCOC)CC(=O)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1 792405651 AFEBHDUQELENGP-RQZCQDPDSA-N 407.536 1.266 30 10 HDEE N#Cc1ncccc1OS(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 795284144 UJWCEXMIIMCPBT-UHFFFAOYSA-N 410.205 1.814 30 10 HDEE C=CCNS(=O)(=O)c1cc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)ccc1F 803599402 HEMWUAKIMSBJIN-UHFFFAOYSA-N 423.388 1.137 30 10 HDEE COCCn1c([C@H]2COCCO2)nnc1N1CCCN(c2ccccc2C#N)CC1 812159493 RMBZKCLYZYJFJN-LJQANCHMSA-N 412.494 1.601 30 10 HDEE Cc1cc(NC(=O)COC(=O)c2cscc2C#N)n([C@@H]2CCS(=O)(=O)C2)n1 814611400 NVQCPFFVQGCJHJ-GFCCVEGCSA-N 408.461 1.280 30 10 HDEE CC(C)CN(C(=O)CON=Cc1ccc(-n2cncn2)cc1)[C@H]1CCS(=O)(=O)C1 913034604 YHGFGNFATXNWAO-SFHVURJKSA-N 419.507 1.290 30 10 HDEE CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=Cc2ccccc2O)CC1 1084346104 MWODUKREJRPUQK-UHFFFAOYSA-N 419.463 1.683 30 10 HDEE C#Cc1cccc(N(CC(=O)N2CCOCC2)C(=O)CCc2nnc(C(F)F)o2)c1 1125418979 PXVMRAKOEBJXMS-UHFFFAOYSA-N 418.400 1.813 30 10 HDEE C#CCN1CCC(C(=O)Nc2cc(N3CCOCC3)c(Br)cn2)CC1 1129888046 CLQDKUHOLQCAMR-UHFFFAOYSA-N 407.312 1.964 30 10 HDEE CSC1([C@@H](C#N)N(C)C(=O)CN2C(=O)N[C@@](C)(c3ccc(F)cc3)C2=O)CC1 1132698910 GULKPOCNYFTYJX-KDOFPFPSSA-N 404.467 1.839 30 10 HDEE N#CC1(C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCSCC1 1135770085 XXXGQVGGQKCNSZ-UHFFFAOYSA-N 409.533 1.361 30 10 HDEE Cn1cc(N2C[C@H](C(=O)N(CCC#N)c3ccc4c(c3)OCCO4)CCC2=O)cn1 1136612329 BTQUOQSMHBZDRS-OAHLLOKOSA-N 409.446 1.881 30 10 HDEE N#Cc1ccc(C(F)(F)F)n(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1=O 1166721555 FUZGSJJBEMMETH-UHFFFAOYSA-N 400.338 1.025 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H](CO)c2ccc(F)cc2F)s1 1167608887 AUUCZFLLLPMCBP-OAHLLOKOSA-N 416.471 1.883 30 10 HDEE N#C[C@@]12CN(Cc3ccc(Br)cc3[N+](=O)[O-])C[C@H]1CS(=O)(=O)C2 1176432421 OKGXJJDBXSCSAY-FZMZJTMJSA-N 400.254 1.727 30 10 HDEE C#C[C@@H]1COCCN1C(=O)NCc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1 1224033280 PTHGWAHOHIDKHA-SJLPKXTDSA-N 405.520 1.651 30 10 HDEE COC(=O)N1C[C@H]2CC[C@H]1[C@H](NC(=O)N[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C#N)C2 1225936889 GPLXGUWPTWPJBJ-OTJKEOIZSA-N 421.498 1.664 30 10 HDEE COc1ccccc1[C@@H](CNC(=O)N1C[C@H]2CS(=O)(=O)C[C@@]2(C#N)C1)OC(C)C 1226791429 CCDCTKPPIFBOMH-QKYXUNIQSA-N 421.519 1.741 30 10 HDEE N#Cc1c(CCCNC(=O)N[C@@H]2CCC3(C2)OCCO3)nn(-c2ccccc2)c1N 1230924506 FZSOYWITWPIGJK-OAHLLOKOSA-N 410.478 1.854 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)N2CCC(N3CCOC3=O)CC2)C1 1233851740 HYLPZGCFWYQETB-DZGCQCFKSA-N 407.471 1.372 30 10 HDEE C#CC[C@H](COC)NC(=O)N1CCC[C@H]1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 1233927187 FPOHBXXZFKPFQT-SJORKVTESA-N 422.526 1.278 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(C(=O)[C@@H](C)Oc3ccccc3C)CC2)nn1 1252077327 SHTAUDUBKOOUGC-QGZVFWFLSA-N 412.494 1.594 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1CCn1ccnc1C 1286288626 IDHWJLITCQFBMS-OAHLLOKOSA-N 416.489 1.855 30 10 HDEE C#C[C@@H](C)N(C)c1nnc([C@H]2CCCCO2)n1CCc1ccc(S(N)(=O)=O)cc1 1286292368 HYNGPXDTWJLMHF-CRAIPNDOSA-N 417.535 1.868 30 10 HDEE C#CCCCCn1c(CN2CCCC2=O)nnc1N1C[C@H](C)[C@@H](N2CCOCC2)C1 1286336955 RMXOIYHESGVHPZ-OALUTQOASA-N 414.554 1.361 30 10 HDEE C#CCN(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCCNc1ccccn1 1286367223 HXQYBQWLLMUZFO-UHFFFAOYSA-N 414.477 1.887 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1CCc1c(OC)cc(OC)cc1OC 1286372135 OEJMLGPEWKWRRY-INIZCTEOSA-N 413.478 1.567 30 10 HDEE C#CCN(CC#C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCS(=O)(=O)C1 1286408761 LDAYNNKRRYQVQM-MRXNPFEDSA-N 407.499 1.934 30 10 HDEE C#CCN(CC#C)c1nnc(COc2ccccc2F)n1CC1(O)CC(OCC)C1 1286416253 LBQYQJSNKQLCHR-UHFFFAOYSA-N 412.465 1.999 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2cccc(OC)c2)n1CC1(C(N)=O)CCOCC1 1286418547 LWRAJEZMIWJYFW-UHFFFAOYSA-N 421.501 1.699 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc([C@H]2CCCCO2)n1C[C@@]1(O)CCS(=O)(=O)C1 1286526356 RLBKIDZFAZDOBL-LZQZEXGQSA-N 408.524 1.061 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cnccn2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 1286564979 ZVNNFGQVRYQVHD-UXLLHSPISA-N 418.523 1.340 30 10 HDEE C=CCCCn1c(N2CC[C@@H]3NC(=O)OC[C@H]3C2)nnc1[C@]1(OCC)CCOC1 1286704755 FXXWEWMNRYDHSJ-GUXCAODWSA-N 405.499 1.831 30 10 HDEE C=CCN(Cc1ccccc1)c1nnc([C@@H]2CCC(=O)N2)n1CCS(=O)(=O)CC 1286745094 BIBGKBYQCJNXRQ-KRWDZBQOSA-N 417.535 1.857 30 10 HDEE C=CCNC(=O)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC=C(COC)CC1 1286781568 UMLPIDIKLCVENW-UHFFFAOYSA-N 411.466 1.011 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](n2cncn2)C1 1286788185 RSNBMORMZQKQIK-JKSUJKDBSA-N 400.487 1.255 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N2CCCCC2)C1 1286809754 VHRHMQWOYNOULW-SJORKVTESA-N 416.526 1.413 30 10 HDEE CC(C)(C)OC(=O)N1CCC(C#CC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)CC1 1295079222 WDYXSDJMNILAJE-INIZCTEOSA-N 413.540 1.035 30 10 HDEE C#CCN(CC(=O)N[C@H](C)CCNS(=O)(=O)c1ccccc1)C(=O)OC(C)(C)C 1296985152 XARYZAPBNGLJDG-MRXNPFEDSA-N 423.535 1.730 30 10 HDEE Cn1nnc(Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@](F)(C#N)C2)n1 1298909078 YKZKAYQXJSVNMP-QGZVFWFLSA-N 403.372 1.161 30 10 HDEE COC(=O)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CCOCC(F)F)CC1 1299435179 LQQDCCBPHKEBSX-UHFFFAOYSA-N 420.420 1.987 30 10 HDEE COC(=O)[C@@]12CCCC[C@@H]1CN(C(=O)c1cc(S(=O)(=O)CC#N)ccc1F)C2 1300115683 AUZXQSVKAVNHTJ-BFUOFWGJSA-N 408.451 1.928 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(COc2cccc(C)c2)n1CCN1CCCS1(=O)=O 1300321193 LSKLYMXWYXPMEU-QGZVFWFLSA-N 417.535 1.659 30 10 HDEE C#CCN(c1nnc([C@H]2CCOC2)n1CC1CCCCC1)[C@H]1CCS(=O)(=O)C1 1300496283 PHHGVEIZYQXCFH-ROUUACIJSA-N 406.552 1.989 30 10 HDEE C#CCN1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)SC)CC1 1300707688 HRXNQANJWYDGOO-OAHLLOKOSA-N 418.592 1.776 30 10 HDEE C#CCSCCn1c(N2CCC(CO)CC2)nnc1[C@]1(OC(C)C)CCOC1 1300778339 SRBWGAIQDHTUEZ-FQEVSTJZSA-N 408.568 1.894 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1C[C@H]2NC(=O)CC[C@@H]2C1 1300851440 UMFBIPICLRAGCQ-UKRRQHHQSA-N 417.311 1.887 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccnc2)n1C[C@H]1CCN(S(C)(=O)=O)C1 1301380876 NNUPUCIHPZFLNK-INIZCTEOSA-N 402.524 1.800 30 10 HDEE C=CCN(CCOC)c1nnc([C@H]2CCCCO2)n1CCC(=O)N1CCOCC1 1301423740 CEZGFYGLNSYXKX-QGZVFWFLSA-N 407.515 1.407 30 10 HDEE CC(=O)NCCCn1c(COc2ccc(C#N)cc2)nnc1N1CCOC(C)(C)C1 1301934725 AKJMSDQUPPFMEY-UHFFFAOYSA-N 412.494 1.870 30 10 HDEE CCc1nnc(N2CCC3(CCOCC3)C2)n1CCN/C(O)=C1\N=CC=CC1=O 1306152041 GGBCXRXZQSGERY-ISLYRVAYSA-N 400.483 1.374 30 10 HDEE CCOCc1nnc(N2CCO[C@H](C#N)C2)n1Cc1ccc(C[S@@](C)=O)cc1 1314403062 FGWGDRRIYSBPAE-JYRCXFKTSA-N 403.508 1.470 30 10 HDEE COCCN(CCC#N)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCCn2ccnc21 1316102550 YCOGWCMHZRJGNU-HOTGVXAUSA-N 412.498 1.370 30 10 HDEE C#CCCCn1c([C@@H]2CCCOC2)nnc1N(CCCOC)[C@@H]1CCS(=O)(=O)C1 1358929429 ZVGAEZNCUVLFDY-QZTJIDSGSA-N 424.567 1.616 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C2CC2)C1 1358929573 CSSVOKQCZUTEDL-IRXDYDNUSA-N 407.540 1.261 30 10 HDEE C#CCN(c1nnc(-c2ccc[nH]2)n1Cc1cc(C)on1)[C@@H]1CCS(=O)(=O)C1 1358960365 CTBMTKQYVQAMAP-OAHLLOKOSA-N 400.464 1.245 30 10 HDEE C=C(C)CN(CC)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ncnn1C(C)(C)C 1359107641 RLUBTNNWOJKHSU-CQSZACIVSA-N 424.575 1.686 30 10 HDEE C=CCN(CCc1ccco1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)N(C)C 1359277558 PEKVGNLECBGRHB-SJORKVTESA-N 421.567 1.958 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N1CCC(OC[C@H]2CCOC2)CC1 1359298386 XYMCGQUTZNBFIQ-INIZCTEOSA-N 414.510 1.597 30 10 HDEE C=CCNC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cccc(Cl)c1 1359298635 HLWMDCZNYSSELX-HNNXBMFYSA-N 402.886 1.821 30 10 HDEE C=CCOc1ccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)cc1 1359307970 ZGJDDHWUZLFDGX-MAUKXSAKSA-N 424.505 1.509 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)COC)C1 1359321648 JSLIGUFQJHIJQY-HZPDHXFCSA-N 412.556 1.634 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc(CC)n2C[C@]2(N3CCOCC3)CCSC2)C1 1359322317 SZYZHUNPVDPABC-YLJYHZDGSA-N 407.584 1.830 30 10 HDEE C[C@H](CS(C)(=O)=O)N(C)c1nnc(Cc2ccccn2)n1Cc1ccc(C#N)o1 1360621588 CDEYTCCODQTQOA-CQSZACIVSA-N 414.491 1.646 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 1438599820 CVNFIRQZZLQWEA-AWEZNQCLSA-N 411.455 1.142 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)/C=C\COC3CCOCC3)CC2)cc1 1441011993 PSSFDYKGNXEIOG-UPHRSURJSA-N 419.503 1.143 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)[C@]1(NC(=O)OC(C)(C)C)C[C@@H](OCC)C1(C)C 1446636726 VSPIFTKJMUOJSZ-AUUYWEPGSA-N 418.556 1.802 30 10 HDEE CCOC(=O)CON=C(C(=O)NCC1(Cc2ccc(F)cc2)CC1)c1cc[nH]n1 1446884228 GQPXNSDBLLUPOK-UHFFFAOYSA-N 402.426 1.972 30 10 HDEE C=CCC[C@@H](CO)NC(=O)CN1C(=O)N[C@@](C)(c2ccc(Br)cc2)C1=O 1449420946 DPMKPVVJRQLKDK-KSSFIOAISA-N 424.295 1.659 30 10 HDEE CCS(=O)(=O)N[C@H](CCSC)C(=O)N1CCC[C@](C#N)(c2ccccn2)C1 1454679969 RJZXCDACTPIMBL-CRAIPNDOSA-N 410.565 1.526 30 10 HDEE C=CC[C@@H](C(=O)OC)N1CC[C@H](N2C(=O)O[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]32)C1 1460680848 XWEKTAWQURAPDH-JONQDZQNSA-N 409.483 1.619 30 10 HDEE C[C@@H](C(=O)Nc1ccc(Br)c(C#N)n1)S(=O)(=O)C1CCOCC1 1461099046 GXTUEKYIZNAWEO-VIFPVBQESA-N 402.270 1.637 30 10 HDEE Cc1cc(C#N)ccc1S(=O)(=O)N1CCC(O)(CNC(=O)OC(C)(C)C)CC1 1463923436 GLZRXOWUAGTCIL-UHFFFAOYSA-N 409.508 1.907 30 10 HDEE C#CC[C@@H](COC)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1464178599 JSTACYWLBMPEOA-HNNXBMFYSA-N 400.522 1.178 30 10 HDEE Cc1nc(CC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3C)c2)n[nH]1 1464289103 MWZNEJMHYHNUOS-QJOMJCCJSA-N 404.496 1.887 30 10 HDEE C[C@H](C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[C@H](O)CN(C)C(=O)OC(C)(C)C 1464404586 JELJBHZCASXQCY-DOTOQJQBSA-N 417.510 1.466 30 10 HDEE N#CC[C@]1(O)CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3Cl)CC2)C1 1469406993 YLGSMBZDDPWXDV-KRWDZBQOSA-N 412.899 1.013 30 10 HDEE C[C@H](CC(=O)N[C@@H]1Cc2ccccc2NC1=O)/N=C1/NS(=O)(=O)c2ccccc21 1471011211 KKONLFBJCFQLSD-MLGOLLRUSA-N 412.471 1.183 30 10 HDEE COC(=O)c1cc(C2CN(C(=O)Cc3ccc(Br)cc3C#N)C2)[nH]n1 1472294618 DFDIGPUSPVAZKT-UHFFFAOYSA-N 403.236 1.999 30 10 HDEE Cn1cc(C(=O)NCC2(C#N)CCOCC2)c(CN2C(=O)c3ccccc3C2=O)n1 1472338471 AMTDQLDDGDRIFI-UHFFFAOYSA-N 407.430 1.266 30 10 HDEE C=C[C@@H]1OCCC[C@H]1NS(=O)(=O)c1ccc(NS(=O)(=O)CCC)cc1OC 1475316089 LEJCPKRWDSGLHJ-CABCVRRESA-N 418.537 1.859 30 10 HDEE C#CCN1CCC(NC(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2C)CC1 1476180976 AYDFZZZMEWYLTO-UHFFFAOYSA-N 404.536 1.963 30 10 HDEE N#Cc1sccc1N1CCN(C(=O)NCc2ccc(-c3nncnn3)cc2)CC1 1478909193 IDTCBPXBSXJJAM-UHFFFAOYSA-N 406.475 1.899 30 10 HDEE CN(Cc1nccs1)c1nnc(-c2ccc[nH]2)n1CCN/C(O)=C1/N=CC=CC1=O 1503518171 KUVAFQVNENTWFM-VLGSPTGOSA-N 424.490 1.893 30 10 HDEE CO[C@@]1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC(CC#N)CC2)CCOC1 1504050913 DZEHEAPYZLTWNM-QFBILLFUSA-N 423.539 1.116 30 10 HDEE C#C[C@H](C)N(C)c1nnc(CC2CCCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1 1507542523 QVEIAQPQOJNSEX-INIZCTEOSA-N 422.533 1.732 30 10 HDEE C#CCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N(C)Cc1ccc(OC)c(O)c1 1507574703 PCJRLLVZONUHES-CQSZACIVSA-N 421.523 1.652 30 10 HDEE C#CCN(c1nnc(C)n1CCc1ccc2c(c1)OCCO2)[C@@H]1CCS(=O)(=O)C1 1507625095 GCMVWIJZZUXGER-QGZVFWFLSA-N 416.503 1.227 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H]1CCCCO1)[C@@H]1CCS(=O)(=O)C1 1507634213 XDYWCVXLGUHTAT-KURKYZTESA-N 422.551 1.368 30 10 HDEE C#CCN(CC#C)c1nnc(-c2ccccc2F)n1CCCN(C)S(=O)(=O)CC 1507647652 PPPJSQHJCIOOMD-UHFFFAOYSA-N 417.510 1.829 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@]2(OCC)CCOC2)n1Cc1cccnc1OC 1507660557 AMPZICLLXCFYSZ-JOCHJYFZSA-N 409.490 1.845 30 10 HDEE C#CCN(CC)c1nnc(-c2cnccn2)n1C[C@@H](Cc1ccc(F)cc1)C(N)=O 1507688034 YIBMDDQFBQPYHX-MRXNPFEDSA-N 407.453 1.678 30 10 HDEE C#CCN1CCN(c2nnc(-c3cccnc3)n2CCCCN2CCC[C@@H]2CO)CC1 1507724899 LVTRGWZLVFBORB-OAQYLSRUSA-N 423.565 1.332 30 10 HDEE C=C(C)[C@@H]1OCC[C@H]1Cn1c(-c2cccnc2)nnc1N1CCO[C@@H](C(=O)NC)C1 1507800709 OWRULALREVOYPK-KSZLIROESA-N 412.494 1.273 30 10 HDEE C=C(C)Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(=O)N(CC)CC)CC1 1507832001 JQMQQUJDQOPZRG-GOSISDBHSA-N 404.559 1.739 30 10 HDEE C=CC1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)CN(C)C2=O)CC1 1507902757 NIBGSWGTQUZEGU-DNVCBOLYSA-N 407.540 1.061 30 10 HDEE C=CCCCCn1c(Cc2ccncc2)nnc1N1CCN(CC(=O)N(C)C)CC1 1507938542 FNNNFLDZIYDIDZ-UHFFFAOYSA-N 411.554 1.830 30 10 HDEE C=CCNC(=O)Cn1c(-c2ccc[nH]2)nnc1N(C)C1CCC2(CC1)OCCO2 1508080978 UXXBGSLORFTIAK-UHFFFAOYSA-N 400.483 1.697 30 10 HDEE C=CCNC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(c2ccc(C)cc2)CC1 1508087166 NZBFSUZRYYUKSN-GOSISDBHSA-N 423.521 1.166 30 10 HDEE CN1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@H]2NC(=O)CC2(C)C)CC1=O 1517415586 MOCQBCDLLGBKPA-MRXNPFEDSA-N 407.478 1.010 30 10 HDEE COCCN1C[C@H](Cn2c(-c3ccc[nH]3)nnc2N2CCC[C@@](C)(C#N)C2)CC1=O 1519190497 CNUBLBRJZMKZMD-IERDGZPVSA-N 411.510 1.898 30 10 HDEE N#C[C@@H]1CN(c2nnc(Cc3ccsc3)n2Cc2ccc(C(N)=O)cc2)CCO1 1521138008 WZGWGURDXCGGSZ-QGZVFWFLSA-N 408.487 1.806 30 10 HDEE C#CCCCn1c(-c2ccc(C#N)cc2)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1539102597 XWLSLABIXYXWRA-UHFFFAOYSA-N 414.473 1.817 30 10 HDEE C#CCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1Cc2ccccc2C1 1539125604 ONNUTRACAAIPET-SFHVURJKSA-N 415.519 1.545 30 10 HDEE C#CCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC1CC(F)C1 1539125977 RRQJUFOKZVLOAB-UYSNPLJNSA-N 413.519 1.209 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1C[C@H]1CCCOC1)[C@@H]1CCS(=O)(=O)C1 1539222320 VMBGOTGAMOYOIP-SJLPKXTDSA-N 406.552 1.989 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1Cc1ncn(C)n1 1539284293 LWGBPXTUJPORDT-IYBDPMFKSA-N 424.509 1.298 30 10 HDEE C#CCN(CC#CC)c1nnc(CN2CCCC2=O)n1C[C@@](C)(O)c1cccs1 1539330907 DCPKQHMMTRIYFN-OAQYLSRUSA-N 411.531 1.833 30 10 HDEE C#CCN(CCOC)c1nnc([C@H]2CCC(=O)N2)n1CCCn1cnc2ccccc21 1539414363 UYWKPCHYPRMRGM-GOSISDBHSA-N 421.505 1.755 30 10 HDEE C#CCN1CCN(c2nnc(-c3ccccc3)n2C[C@H]2CCCN(C(C)=O)C2)CC1 1539441421 OJACYGYGUYBCAQ-FQEVSTJZSA-N 406.534 1.959 30 10 HDEE C=C(C)[C@@H]1OCC[C@@H]1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCCOC 1539631316 KRQVYWIJHJEAQY-ZACQAIPSSA-N 412.556 1.634 30 10 HDEE C=CCN(C)c1nnc(-c2ccc(OC)c(OC)c2)n1CCC[C@@H]1NC(=O)NC1=O 1540058997 KWBYRGCTZQXVBJ-AWEZNQCLSA-N 414.466 1.573 30 10 HDEE C=CCN(C)c1nnc(COc2ccc(OC)cc2)n1C[C@H]1CCS(=O)(=O)C1 1540088872 QYOQYJVLLSQXIC-OAHLLOKOSA-N 406.508 1.923 30 10 HDEE C=CCN(c1nnc([C@@]2(OCC)CCOC2)n1CCN1CCOC[C@@H]1C)C1CC1 1540094325 FPXNISPNGVKLHL-LAUBAEHRSA-N 405.543 1.806 30 10 HDEE C=CCN(CC=C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@]1(O)CCOC1 1540153545 IDERMELKVXYKJN-HXUWFJFHSA-N 418.519 1.678 30 10 HDEE C=CCn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCS(=O)(=O)CC1 1540861501 UDJLMFBQPWMJFF-AWEZNQCLSA-N 411.528 1.771 30 10 HDEE C=CCNC(=O)Cn1c(-c2cccc(C#N)c2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1 1540867261 PVMVWTQMDINPGV-OALUTQOASA-N 422.489 1.503 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2ccc(Cl)cc2)nnc1N1C[C@@H]2OCO[C@@H]2C1 1540899014 AYSKPRZGDMCSGR-IYBDPMFKSA-N 424.910 1.761 30 10 HDEE C=CCS(=O)(=O)CCn1c(C2CCC2)nnc1N1CCC(CCC(N)=O)CC1 1540902477 KPKRJPVJMPUQPU-UHFFFAOYSA-N 409.556 1.628 30 10 HDEE C#CCN(CC(=O)N1CCN(CCN2[C@H](C)CC[C@H]2C)CC1)C(=O)OC(C)(C)C 1542741171 CJEUKRMPTIGANW-RTBURBONSA-N 406.571 1.874 30 10 HDEE C[C@H]1OCC[C@]12CN(c1nnc(-c3ccc(C#N)cc3)n1CCC(=O)N(C)C)CCO2 1545150404 ATMKGJGHMCGKIT-ZHRRBRCNSA-N 424.505 1.679 30 10 HDEE CN(CCCc1[nH]nc(N)c1C#N)C(=O)c1ccc(I)cc1N 1545848104 OFVSDWAVMAMIOQ-UHFFFAOYSA-N 424.246 1.755 30 10 HDEE CO[C@@H]1COCC[C@@H]1Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C(N)=O)CC1 1555190678 BUAPXUOZGYBOQH-RTBURBONSA-N 424.505 1.570 30 10 HDEE N#Cc1cccc(-c2nnc(N3CCC[C@H](CC(N)=O)C3)n2CC[C@@H]2COCCO2)c1 1555988098 XCKWHEMPFKJFBA-IEBWSBKVSA-N 424.505 1.714 30 10 HDEE N#C[C@@]1(F)CCN(C(=O)c2cc(S(N)(=O)=O)cc(Br)c2Cl)C1 1556211307 FEJAEZQYXSUMEM-LBPRGKRZSA-N 410.652 1.828 30 10 HDEE Cn1ccc(=O)n(CCCNC(=O)c2cccc(CNc3ncccc3C#N)c2)c1=O 1556467093 ZFCZBHSCEFOOEL-UHFFFAOYSA-N 418.457 1.246 30 10 HDEE CC#CC[C@@H](CO)NC(=O)CCNS(=O)(=O)c1cccc(Br)c1 1557361719 AMONNYLLJYPZRW-ZDUSSCGKSA-N 403.298 1.008 30 10 HDEE O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NCC1(O)CCC(F)(F)CC1 1557625229 PWQCUZGTQAKHQE-UHFFFAOYSA-N 401.435 1.172 30 10 HDEE N#Cc1ccc(N2C[C@H](C(=O)N[C@H](CO)[C@H](O)c3cccnc3)CC2=O)cc1Cl 1557914030 HQGPPXLEEVLHKT-LSBZLQRGSA-N 414.849 1.170 30 10 HDEE C=CCNS(=O)(=O)c1ccc(CC(=O)NCCOC2CCSCC2)s1 1558714061 AGYLWJBDLNKYAW-UHFFFAOYSA-N 404.579 1.783 30 10 HDEE CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)c(Br)c(C)c(C#N)c2=O)n1 1558973275 KLHNXBLMQNATEZ-UHFFFAOYSA-N 409.200 1.608 30 10 HDEE CCN1CCC(N2CCCN(CCS(=O)(=O)c3ccc(C#N)cn3)CC2)CC1 1559919376 GZYNKQFGPHOAHG-UHFFFAOYSA-N 405.568 1.219 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CN(C(=O)NCC(=O)NCC#N)CC[C@H]1C(F)(F)F 1564721287 QYAYHBNLENJMKL-MNOVXSKESA-N 407.393 1.113 30 10 HDEE C#C[C@H](NC(=O)N1CCN(c2nc(C(=O)OCC)cs2)CC1)C1CCOCC1 1565105135 DANKUIVUYIQLTC-HNNXBMFYSA-N 406.508 1.580 30 10 HDEE CC(C)n1cc(CNC(=O)N2CCN(c3ccsc3C#N)CC2)c(O)nc1=O 1565493443 DABADYFMXSCLCL-UHFFFAOYSA-N 402.480 1.495 30 10 HDEE Cc1cc(C(=O)NCCN/C(O)=C2\N=CC=CC2=O)c(C)n1C[C@@H]1CCCOC1 1565630156 SWRRJTAJJWEJAP-YGCDDZCOSA-N 400.479 1.788 30 10 HDEE C#CCN1CCCN(C(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)CC1 1565814671 DBGNHRWZSHUAQZ-WIYYLYMNSA-N 401.507 1.884 30 10 HDEE COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1cccc(C#N)c1Br 1583241573 RVQKOMJGMQKSTJ-MFKMUULPSA-N 409.236 1.888 30 10 HDEE C[Si](C)(C)C#CCCNC(=O)CSCCOc1ccc(S(N)(=O)=O)cc1 1584145538 KWAUWOAZBCEXCV-UHFFFAOYSA-N 414.625 1.833 30 10 HDEE Cn1cc(CNC(=O)CCN2C(=O)NC3(CCCC3)C2=O)c(-c2ccc(C#N)cc2)n1 1584722754 PWDVEXIDWDCTAX-UHFFFAOYSA-N 420.473 1.830 30 10 HDEE C#CCCCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@]2(CCCOC2)C1 1587758511 AYAUEBMKOHZYLF-XGHQBKJUSA-N 401.511 1.807 30 10 HDEE C#CCN(CC#C)c1nnc([C@@H](C)NS(C)(=O)=O)n1C[C@H](C)N1CCC(C)CC1 1588085107 ZJZJAAFJCSDGJH-ZWKOTPCHSA-N 420.583 1.082 30 10 HDEE C#CCn1ccc(CN(CCOC)c2nnc(-c3cnn(C)c3)n2C[C@H]2C[C@H]2C)n1 1588722947 INGRLMITTIWNQI-IAGOWNOFSA-N 408.510 1.817 30 10 HDEE C#CCN1CCN(c2nnc(CCOc3ccccc3)n2C[C@@H](F)COC)CC1 1588856665 AKCUVCCFUHRGMC-GOSISDBHSA-N 401.486 1.639 30 10 HDEE CCO[C@H](C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N)[C@@H]1CCOC1 1595533052 IKNBZIBUULAFBY-KUHUBIRLSA-N 415.469 1.956 30 10 HDEE CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2CCO[C@@](C)(C#N)C2)cc1 1611484288 DBIFTQVAEKBCBS-QUCCMNQESA-N 419.503 1.573 30 10 HDEE COCCN(CCC#N)c1nnc(Cc2c(F)cccc2F)n1Cc1ncn(C)n1 1619912554 GNJVEJAEDDWAEG-UHFFFAOYSA-N 416.436 1.690 30 10 HDEE N#Cc1cn(CCC(=O)NCC[C@H](O)c2ccc(Cl)c(Cl)c2)c(=O)nc1O 1625167024 BPVPWCZQOSEJMM-AWEZNQCLSA-N 411.245 1.757 30 10 HDEE CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N(CCC#N)CCN1CCOCC1 1625976751 LKJVLNUXMJPTSK-KRWDZBQOSA-N 412.531 1.379 30 10 HDEE COc1cc([C@H](C#N)NC(=O)[C@H]2COc3ccc(O)cc3O2)cc(OC)c1OC 1626077831 WRSLZCIEZUPKOW-SCLBCKFNSA-N 400.387 1.939 30 10 HDEE C=CCOc1ccc(/C=C\C(=O)N2CCS(=O)(=O)[C@@H]3COCC[C@@H]32)cc1OC 1626139824 BGWGXOJGCZUKCR-KIPOPRERSA-N 407.488 1.688 30 10 HDEE O=C1C=CC=N/C1=C(/O)NCCNC(=O)[C@@H]1CN(Cc2ccccc2)CC12CCC2 1627264870 ISSKYBJVTVZCOJ-LQTLECTNSA-N 408.502 1.931 30 10 HDEE CC(C)(C)OC(=O)N[C@@H](CCCC#N)C(=O)N1CCN(CC(F)(F)CO)CC1 1627950439 FNBXSOJAGXENQA-AWEZNQCLSA-N 404.458 1.345 30 10 HDEE COC(=O)CN1CCN(c2ccc(NC(=O)c3cccc(C#CCO)c3)cc2)CC1 1628711369 YHGKLWAKSZXLOB-UHFFFAOYSA-N 407.470 1.578 30 10 HDEE COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CC#N)C2)cc1 1629174175 ATWCDHMQTGQMGU-QGZVFWFLSA-N 423.535 1.736 30 10 HDEE CCS(=O)(=O)c1cnc(O)c(C(=O)N2CCC[C@@](C#N)(c3ccccn3)C2)c1 1631964337 LWTMYSXVFOLCCP-IBGZPJMESA-N 400.460 1.673 30 10 HDEE Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1ccc(CN2C(=O)CNC2=O)cc1 1632456417 AVPCHVUHMXKVNP-UHFFFAOYSA-N 422.489 1.714 30 10 HDEE N#CCS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)c1 1633382617 RWWZEEQYFZIUMO-KBXCAEBGSA-N 406.435 1.337 30 10 HDEE N#Cc1ccc2c(c1)N(C(=O)c1sccc1S(=O)(=O)N1CCC(O)CC1)CC2 1633386302 FATXSAJGOUCVFR-UHFFFAOYSA-N 417.512 1.968 30 10 HDEE CC(C)(Cc1ccc(C#N)cc1)NC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 1635346249 PYQXVHQFSODWFN-SJORKVTESA-N 403.504 1.031 30 10 HDEE C=CCn1cc(CNC(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)nn1 1636330709 JKIOXJQEVIUOSD-UHFFFAOYSA-N 407.482 1.017 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 1636785698 FXBRPQIRWMHMJM-VWKPWSFCSA-N 416.478 1.693 30 10 HDEE CC(C)(C)OC(=O)[C@H](Cc1ccncc1)NC(=O)CNC(=O)c1ccc(C#N)cc1 1640067951 BGTJVZOTKCETMP-SFHVURJKSA-N 408.458 1.752 30 10 HDEE C[C@H](CC(=O)NOCCOc1ccccc1)/N=C1/NS(=O)(=O)c2ccccc21 1640501625 WUJHAGRNBXFDLY-CQSZACIVSA-N 403.460 1.631 30 10 HDEE C#CCOCCN(C)C(=O)[C@H](C)CS(=O)(=O)c1ccc(Br)cc1 1640917444 FLZQIBIRAJAGJS-CYBMUJFWSA-N 402.310 1.967 30 10 HDEE COC(=O)c1ccc(-c2nnn(CC#CCN3C(=O)c4ccccc4C3=O)n2)cc1 1643717618 GGDWPELRNVUKDZ-UHFFFAOYSA-N 401.382 1.426 30 10 HDEE COC(=O)CCN(CC#N)C(=O)[C@@]1(C)C[C@@H](O)CN1C(=O)OCc1ccccc1 1643858607 JXEODOZWBNKJSN-OXQOHEQNSA-N 403.435 1.064 30 10 HDEE CNS(=O)(=O)c1ccc(N2CCN([C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)CC2)cc1 1644341958 YWERMXRWRTUXRV-OXJNMPFZSA-N 421.567 1.160 30 10 HDEE C#CCN(C[C@H]1CCCN(S(C)(=O)=O)C1)C1CCN(C(=O)OC(C)(C)C)CC1 1644501256 RDWNPZMCVUCQJS-QGZVFWFLSA-N 413.584 1.993 30 10 HDEE N#Cc1cn(CCNC(=O)[C@@H]2[C@H]3Cc4ccc(Br)cc4[C@@H]32)c(=O)nc1O 1646146927 CHGWRPNSWRYICH-SOUVJXGZSA-N 415.247 1.285 30 10 HDEE C=CCNS(=O)(=O)c1ccc(C(=O)N2CCC(F)(F)[C@@H](C(=O)OCC)C2)cc1 1648086235 WBSLQWWVDGZXBT-OAHLLOKOSA-N 416.446 1.811 30 10 HDEE C=CC1(CC(=O)NCCCN2C(=O)NC(C)(C)C2=O)CN(C(=O)OC(C)(C)C)C1 1648810013 XIDIQABOLRYCQP-UHFFFAOYSA-N 408.499 1.636 30 10 HDEE N#Cc1cccc(Br)c1N[C@@H]1CCS(=O)(=O)C2(CC(C(N)=O)C2)C1 1652296994 DNMDFPOQSHWZAE-BWBHSNQOSA-N 412.309 1.944 30 10 HDEE Cc1cnc2c(S(=O)(=O)N3CCN(c4cnc(C#N)c(C#N)n4)CC3)cccc2c1 1654966132 IBKSLKSOGWXSRY-UHFFFAOYSA-N 419.470 1.587 30 10 HDEE CCN(C[C@@H](C)C#N)S(=O)(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 1656149302 IBZKFWDSTQPBGM-WMLDXEAASA-N 415.537 1.190 30 10 HDEE C=C(C)C[C@H](CO)NS(=O)(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 1656631993 PFFDNZLOQUGIPD-MRXNPFEDSA-N 416.565 1.775 30 10 HDEE CN1CCN(C2CCN(CC(=O)NCC#Cc3cccc(C(F)(F)F)c3)CC2)CC1 1659832259 XTQSPGZQOOIBPI-UHFFFAOYSA-N 422.495 1.885 30 10 HDEE N#CCCN(CCN1CCOCC1)C(=O)Nc1ccnc(OCC(F)(F)F)n1 1662724968 FMUGRWIWYNQSMK-UHFFFAOYSA-N 402.377 1.497 30 10 HDEE C=CCC1(O)CCN(C(=O)Nc2cnn(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2)CC1 1669081245 FXCOJRIHCMYEGQ-HOTGVXAUSA-N 405.499 1.454 30 10 HDEE C=CCS(=O)(=O)CCNC(=O)Nc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-] 1674631412 ROOVYCFCAIJQJE-UHFFFAOYSA-N 411.484 1.069 30 10 HDEE CN(C)CC#CCNC(=O)N1CCC(CO[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 1685832155 OXLWOHMHAPDDOQ-LJQANCHMSA-N 422.570 1.999 30 10 HDEE N#Cc1csc(CNC(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 1687729969 YAAXKSFLEOPYGD-CYBMUJFWSA-N 411.443 1.221 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN(C)CC(F)(F)F 1689851369 PIWRKDDFXKZLTK-UONOGXRCSA-N 421.489 1.522 30 10 HDEE C#C[C@@H](C)N(C)c1nnc(CN2CCCC2=O)n1CCc1cccc(C(=O)N(C)C)c1 1689861237 QYBGJENPCBUMAA-QGZVFWFLSA-N 422.533 1.803 30 10 HDEE C#CCN(C)c1nnc(-c2nn(C)c(=O)c3ccccc23)n1C[C@H](C)N(CC)CC 1689960999 HAVPOLKWZWSHCX-INIZCTEOSA-N 407.522 1.992 30 10 HDEE C#CCN(CC#C)c1nnc(C(=O)N2CCCC2)n1Cc1ccc(N(CC)CC)nc1 1689998443 MFTYNUHTOCKRQZ-UHFFFAOYSA-N 419.533 1.876 30 10 HDEE C#CCN(CCOC)c1nnc(Cc2c(F)cccc2F)n1C[C@]1(O)CCO[C@@H]1C 1690104826 JYBGBWSYOHBXEZ-QVKFZJNVSA-N 420.460 1.773 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(-c3ccccc3)n2C[C@@]2(O)CCOC2)CC1 1690139950 GDTNBBFNWMBCAA-QFIPXVFZSA-N 409.490 1.062 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CCC2(O)CCC2)CC1 1690146837 YUFIFHGLGKPPKM-QGZVFWFLSA-N 401.511 1.053 30 10 HDEE C=C(C)Cn1c(COc2ccc(F)cc2)nnc1N1CCN(CCOC)C(=O)C1 1690295581 CCGSBOOOVBSNEA-UHFFFAOYSA-N 403.458 1.867 30 10 HDEE C=CCN(c1nnc(C2CCC2)n1Cc1ccc(C(=O)NCC(N)=O)cc1)C1CC1 1690543715 NKHNCIUVVBIQOS-UHFFFAOYSA-N 408.506 1.964 30 10 HDEE C=CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1Cc1conc1COC)C1CC1 1690545775 YMXWNZFFCADOMU-CYBMUJFWSA-N 407.496 1.518 30 10 HDEE C=CCNC(=O)Cn1c(N2CCc3oncc3C2)nnc1[C@]1(OC(C)C)CCOC1 1690677078 MHIBWBUAGIYUAL-FQEVSTJZSA-N 416.482 1.172 30 10 HDEE C[C@H](C#N)CN(C)c1nnc(-c2cnn(C)c2)n1CCCCN1CCC[C@@H]1CO 1691002064 VCNSVBGXFVWBSB-SJLPKXTDSA-N 400.531 1.511 30 10 HDEE CC(C)NC(=O)c1nnc(N(C)Cc2cccc(C#N)c2)n1CCCn1cnnn1 1692502028 SOZPAAXQOUXJFF-UHFFFAOYSA-N 408.470 1.001 30 10 HDEE C#C[C@H](C)N(C)c1nnc(C(=O)N2CCCC2)n1Cc1ccccc1OCCN(C)C 1705476239 UGWKDJSPFRFOOB-SFHVURJKSA-N 424.549 1.961 30 10 HDEE C#CCN(C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1 1705551600 PGBNPOGGLDTJFE-ZWKOTPCHSA-N 407.584 1.618 30 10 HDEE C#CCN(c1nnc(-c2cnccn2)n1CCC=C(C)C)[C@H]1CCS(=O)(=O)C1 1705566453 OKFDYTOEPZALIY-INIZCTEOSA-N 400.508 1.718 30 10 HDEE C#CCN(CC#C)c1nnc(CNC(=O)c2cccs2)n1C[C@H]1CCC[C@@H](O)C1 1705585410 RRHZWKRYXGMNCE-DLBZAZTESA-N 411.531 1.894 30 10 HDEE C#CCN(CC#CC)c1nnc([C@@H]2CCCOC2)n1Cc1c(CC)nn(C)c1OC 1705598573 LVYPHLRMPUHUDT-QGZVFWFLSA-N 410.522 1.988 30 10 HDEE C#CCSCCn1c(CNC(=O)c2cccs2)nnc1N1CCCOCC1 1705664069 JHMCQSBOKTYAPI-UHFFFAOYSA-N 405.549 1.863 30 10 HDEE C=C(C)Cn1c(C)nnc1N1C[C@@H]2[C@H](NC(=O)OC(C)(C)C)CS(=O)(=O)[C@H]2C1 1705721797 ZTZYUCRIRQNYLY-KFWWJZLASA-N 411.528 1.289 30 10 HDEE C=C(Cl)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1c(C)nn(C)c1C 1705754767 FSHIMDGSMTWALE-AWEZNQCLSA-N 412.947 1.919 30 10 HDEE C=CCN(CCOC)c1nnc(-c2cccnc2)n1CC1(S(C)(=O)=O)CCC1 1705883278 BZILRTYEHATVBT-UHFFFAOYSA-N 405.524 1.946 30 10 HDEE C=CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CC[C@H](S(=O)(=O)NCC)C1 1705894428 YWEUPQZLFAELJH-ARFHVFGLSA-N 411.572 1.901 30 10 HDEE C=CCNC(=O)Cn1c(-c2nn(CC)c(=O)c3ccccc23)nnc1N(CC)CC 1705901081 ZZKZUJJQYXNKEM-UHFFFAOYSA-N 409.494 1.823 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2CC2(C(N)=O)CCOCC2)C1 1705924702 FUKWIZDNQXNSPG-IAGOWNOFSA-N 419.526 1.583 30 10 HDEE C=CCSCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 1705943693 IKQCRIZFLSTBTP-ULMVMLMRSA-N 421.567 1.921 30 10 HDEE CCN(c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(C#N)o1)C(C)C 1709957219 BZLQXPUQKCMQID-MRXNPFEDSA-N 422.511 1.359 30 10 HDEE CN(CCCCCO)c1nnc(-c2ccc(C#N)cc2)n1Cc1ccc(C(N)=O)nc1 1711192594 KYYWFWOFDNYERO-UHFFFAOYSA-N 419.489 1.958 30 10 HDEE N#C[C@@]1(F)CCN(c2nnc(-c3ccc4c(c3)OCO4)n2CC(=O)NCC(F)F)C1 1712875754 HCTDSCBPGKUARZ-SFHVURJKSA-N 422.367 1.497 30 10 HDEE C#CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCC(S(=O)(=O)CC)CC1 1722342091 RPJJSKITOVOGJM-WMZOPIPTSA-N 424.567 1.819 30 10 HDEE C#CCN(c1nnc([C@@H]2CCOC2)n1CC(CC)(CC)OC)[C@H]1CCS(=O)(=O)C1 1722365515 FEGOKVLUVMNGHV-SJORKVTESA-N 424.567 1.614 30 10 HDEE C#CCN(CC#C)c1nnc([C@H]2CCS(=O)(=O)C2)n1Cc1cccc(COC)c1 1722382194 FYMXURRFKNHATO-IBGZPJMESA-N 412.515 1.448 30 10 HDEE C#CCN(CC#CC)c1nnc(C(C)C)n1CCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 1722389235 FSHCAWFZGBUORP-VJANTYMQSA-N 405.502 1.672 30 10 HDEE C#CCN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC2(CCOCC)CCC2)CC1 1722438014 YDPTYSUXYAJFSY-GOSISDBHSA-N 414.554 1.581 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2Cc2ccc(N3CCCCC3)nc2)CC1 1722444388 JBPOOSPZIUQARO-UHFFFAOYSA-N 421.549 1.986 30 10 HDEE C=CCO[C@H]1CCN(c2nnc(CN3CCCC3=O)n2Cc2snnc2C)C1 1722719901 BVNRIUBBANKPBN-AWEZNQCLSA-N 403.512 1.390 30 10 HDEE C=CCSCCn1c(C(=O)N2CCCC2)nnc1N(C)CCc1cnccn1 1722737073 SDTDXCXGKWRKIJ-UHFFFAOYSA-N 401.540 1.902 30 10 HDEE C=CCSCCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCNC(=O)C1 1722739284 ULFODIUIZISHTK-INIZCTEOSA-N 401.492 1.646 30 10 HDEE CC1(C#N)CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(C)COCCO2)CC1 1724011319 ZEGHZSRHOBXNCG-BEFAXECRSA-N 423.539 1.116 30 10 HDEE CCOCc1nnc(N2CCc3nc(O)c(C#N)cc3C2)n1CC(C)(C)C(=O)NC 1729032593 CHWRENWIYZZNGY-UHFFFAOYSA-N 413.482 1.122 30 10 HDEE C#C[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1CCS(=O)(=O)CC1CC1 1740548352 FYUWXTUQIONRMA-ZDUSSCGKSA-N 419.507 1.289 30 10 HDEE C#C[C@H](C)N(C)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCc1nnc(C)s1 1740553353 RCNNSYZEGGWUIF-JSGCOSHPSA-N 408.553 1.431 30 10 HDEE C#CCCCn1c([C@@H](C)OCCOC)nnc1N1CCN(c2cnn(C)c2)C(=O)C1 1740584777 KATQFTOBPPFTNQ-MRXNPFEDSA-N 415.498 1.002 30 10 HDEE C#CCN(CC)c1nnc(Cc2ccccc2F)n1CCS(=O)(=O)NC(C)C 1740670001 GXTKGERCYFNYCQ-UHFFFAOYSA-N 407.515 1.795 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(Cc3cccnc3)n2C[C@@](C)(O)CCC)CC1 1740706755 BKXBFCHRKVTTSV-QHCPKHFHSA-N 424.549 1.781 30 10 HDEE C=C(Br)Cn1c(Cc2ccccn2)nnc1N1CC(=O)N(C)C[C@H]1C 1740745768 FAYYAYFWIKQDMN-CYBMUJFWSA-N 405.300 1.839 30 10 HDEE C=C(C)COCCn1c(C(=O)N2CCCC2)nnc1N(C)CC(=O)NC(C)(C)C 1740786960 VFVKAGOVBBTQPX-UHFFFAOYSA-N 406.531 1.458 30 10 HDEE C=CCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCCC2)C1 1740869036 ZFAONYRFYZDBQU-DLBZAZTESA-N 410.588 1.919 30 10 HDEE C=CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 1740946225 BKDBCCUMTUEPIY-NVXWUHKLSA-N 400.527 1.890 30 10 HDEE CC(C)Cc1nnc(N2CCN(c3ncccc3C#N)CC2)n1CCCn1ccnn1 1741477300 ZANPFMKDRLOYSC-UHFFFAOYSA-N 420.525 1.752 30 10 HDEE C[C@@H](Cn1c(-c2ccc(C#N)cc2)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)N(C)C 1741833273 DJIYVRUJMOODIC-YCRPNKLZSA-N 409.494 1.798 30 10 HDEE C#CCN(c1nnc(C(C)(C)C)n1C[C@](C)(O)[C@@H](C)CC)[C@H]1CCS(=O)(=O)C1 1748801707 DVERKVFDMFEUGR-FTRWYGJKSA-N 410.584 1.999 30 10 HDEE C#CCN(c1nnc([C@@H]2CCCOC2)n1C[C@@H](CCC)OC)[C@H]1CCS(=O)(=O)C1 1748815416 QHBOLNBLQQWXSJ-FGTMMUONSA-N 424.567 1.614 30 10 HDEE C#CCN(c1nnc(C2CCCC2)n1CCCNC(C)=O)[C@@H]1CCS(=O)(=O)C1 1748815680 SWJMGOXOTZWQCT-QGZVFWFLSA-N 407.540 1.089 30 10 HDEE C#CCN(c1nnc(Cc2c(F)cccc2F)n1CCOC)[C@H]1CCS(=O)(=O)C1 1748819724 SGPNKCYTARYKJY-AWEZNQCLSA-N 424.473 1.420 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[C@H]2C)CC1 1749001346 QFOTYJHJBCQAQX-WBVHZDCISA-N 421.505 1.547 30 10 HDEE C=CCNC(=O)Cn1c(C2CC2)nnc1N1CCCN(C(=O)OCC(C)C)CC1 1749665716 ALTLINHJCBMTPC-UHFFFAOYSA-N 404.515 1.762 30 10 HDEE C=CCO[C@@H]1CCN(c2nnc([C@@]3(OCC)CCOC3)n2CCN2CCCC2)C1 1749699154 ZYLDESZBLSIJEL-WIYYLYMNSA-N 405.543 1.807 30 10 HDEE C=CCS(=O)(=O)CCn1c(COCC)nnc1N1CCC[C@@H](N2CCCC2)C1 1749740743 YGGGGMHLBTXGHX-QGZVFWFLSA-N 411.572 1.480 30 10 HDEE C=CCSCCn1c([C@@H]2CCOC2)nnc1N1CC[C@@H](NC(=O)NC2CC2)C1 1749756582 ZRPMEJYHMAQUSR-GDBMZVCRSA-N 406.556 1.742 30 10 HDEE COCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCO[C@H](C#N)C1 1749843971 QBQDLOJXTPCPGK-MRXNPFEDSA-N 420.514 1.768 30 10 HDEE N#C[C@H]1CN(c2nnc(COc3ccccc3F)n2CCSCCCO)CCO1 1750388835 TWOLLBOYMQLNLB-HNNXBMFYSA-N 421.498 1.841 30 10 HDEE C#CCN(CC#C)c1nnc(Cc2ccccc2OC)n1C[C@@H]1NC(=O)CC1(C)C 1760204487 REDYHKSUMRMLDD-IBGZPJMESA-N 405.502 1.865 30 10 HDEE C#CCN(CC#CC)c1nnc(-c2c[nH]c3ccccc23)n1CCNS(C)(=O)=O 1760216585 TWCRQNYJZIBVGX-UHFFFAOYSA-N 410.503 1.439 30 10 HDEE C#CCN(CC#CC)c1nnc([C@H]2CCC(=O)N2)n1CC(F)(F)Br 1760218174 ZLWUMULUPXIKDK-LLVKDONJSA-N 400.227 1.680 30 10 HDEE C#CCN(CC)c1nnc([C@H](C)NS(C)(=O)=O)n1CC(C)(C)c1ccccn1 1760225034 FULOTRTUTFPZSN-HNNXBMFYSA-N 404.540 1.721 30 10 HDEE C#CCN(CCOC)c1nnc([C@@H]2CCCOC2)n1CC1(C(=O)N(C)C)CCCC1 1760249668 PYTPBJVWOGKDLO-GOSISDBHSA-N 417.554 1.907 30 10 HDEE C#CCN1CCN(c2nnc([C@@H]3CCOC3)n2CCOc2ccc(F)c(F)c2)CC1 1760259356 KYGAIZCNWVOHNG-MRXNPFEDSA-N 417.460 1.894 30 10 HDEE C#CCN1CCN(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccco2)CC1 1760262828 DBEFUTUMHKCREU-UHFFFAOYSA-N 424.530 1.709 30 10 HDEE C#CCNC(=O)C1CCN(c2nnc(C)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)CC1 1760266031 OMEIBNJHLFEOKV-IAGOWNOFSA-N 416.570 1.440 30 10 HDEE C#CCSCCn1c(-c2nn(C)c(=O)c3ccccc23)nnc1N1CCOC[C@H]1C 1760280832 VECDOXJOPYNACU-OAHLLOKOSA-N 424.530 1.784 30 10 HDEE C#C[C@]1(C)CCCN1c1nnc(C(=O)NC(CC)CC)n1C[C@@H](C)N1CCOCC1 1760287210 KHWQASGUDMYQRM-VGOFRKELSA-N 416.570 1.909 30 10 HDEE C=CCCCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN2C(=O)OC[C@]2(C)C1 1760445896 YRSWUTZGXLEZNS-FTRWYGJKSA-N 405.499 1.999 30 10 HDEE C=CCCOCCn1c(-c2cnccn2)nnc1N1CCO[C@H]([C@H]2CCCO2)C1 1760449826 WLYKXKPTDZPZTN-MSOLQXFVSA-N 400.483 1.712 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@H](C(=O)OC)C1 1760526477 PDKJXJWJXNCHLQ-INIZCTEOSA-N 413.478 1.467 30 10 HDEE C=CCNC(=O)Cn1c(COc2cccc(C)c2)nnc1N1CC[C@@H](C(=O)OC)C1 1760526479 PDKJXJWJXNCHLQ-MRXNPFEDSA-N 413.478 1.467 30 10 HDEE C=CCS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[C@@H](CCOC)C1 1760553437 CJOBZCRLKNQVDM-HNNXBMFYSA-N 408.528 1.142 30 10 HDEE C=CCS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](OCC)C1 1760555375 DWJNTXICBXZEBH-DLBZAZTESA-N 412.556 1.778 30 10 HDEE CC(C)NC(=O)c1nnc(N2CCO[C@H](c3cnn(C)c3)C2)n1Cc1ccc(C#N)o1 1761241676 WHOJAERHIOCKSV-KRWDZBQOSA-N 424.465 1.241 30 10 HDEE Cc1ccc(-c2nnc(N3CCO[C@H](C#N)C3)n2CCCCN2CCC[C@H]2CO)o1 1761760359 HYDYCNUQCIRIKH-ZWKOTPCHSA-N 414.510 1.812 30 10 HDEE CCc1nnc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1CC[C@H]1COCCO1 1764932511 WGIHYFBIBCLHED-FQEVSTJZSA-N 410.522 1.840 30 10 HDEE CN(Cc1ccco1)c1nnc(-c2ccc(C#N)cc2)n1CC(=O)N1CCOCC1 1767123283 BGHBKZRSZWPLRL-UHFFFAOYSA-N 406.446 1.905 30 10 HDEE CNC(=O)CCn1c(COc2ccc(C#N)cc2)nnc1N1C[C@@H](OC)C(C)(C)C1 1767815390 KAMITKCCUZQCSK-QGZVFWFLSA-N 412.494 1.726 30 10 HDEE CON(C)c1nnc(Cc2c(F)cccc2F)n1CCN/C(O)=C1\N=CC=CC1=O 1770245479 PROQOTRHFXMJFO-ISLYRVAYSA-N 418.404 1.671 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc(-c3ccc(C#N)cc3)n2CCCCCO)C1 1770315749 AUXRJMVZGCXARA-QGZVFWFLSA-N 403.508 1.603 30 10 HDEE COCC1=CCN(c2nnc(-c3cccc(C#N)c3)n2CCCn2cnnn2)CC1 1770863498 SVXYCAWUICBZGC-UHFFFAOYSA-N 405.466 1.676 30 10 HDEE CS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCCCO3)n2Cc2ccc(C#N)o2)C1 1771348311 BXZNLYDTXIJFPV-HZPDHXFCSA-N 405.480 1.656 30 10 HDEE N#C[C@]1(F)CCN(c2nnc([C@H]3CCCCO3)n2C[C@H]2CCCN2CCCO)C1 1771529070 IBUGRALLKNSFPT-MBOZVWFJSA-N 406.506 1.808 30 10 HDEE Cc1ccc(S(=O)(=O)NCCC(=O)ON2C(=O)c3ccccc3C2=O)c(C)c1 1772789831 YCBKTYSTPNASST-UHFFFAOYSA-N 402.428 1.726 30 10 HDEE O=C(CCn1cnc2ccccc2c1=O)NCC#CCN1CCc2ccccc2C1 1849986478 LBMWDVYNGJFGIY-UHFFFAOYSA-N 400.482 1.965 30 10 HDEE N#Cc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)NCC(F)(F)F)C2)ccc1F 1850968792 KINQAVAMMMXEQU-JTQLQIEISA-N 408.377 1.745 30 10 HDEE Cc1cc(C)c(C#N)c(C(=O)N2CCN(c3cc(-n4ccc(C)n4)ncn3)CC2)n1 1851936853 DAWQOVSEMDPTMU-UHFFFAOYSA-N 402.462 1.817 30 10 HDEE C=CCN1C[C@@H](C(=O)Nc2c(-c3nnc(C)n3C[C@@H]3CCCO3)cnn2C)CC1=O 1852379141 NZXDEVRDYGOJLA-GJZGRUSLSA-N 413.482 1.139 30 10 HDEE C=CCN1CCN(C(=O)CCONC(=N)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)CC1 1853565321 FPGXBBXCEYHCLB-GOSISDBHSA-N 413.522 1.567 30 10 HDEE COc1cccc2sc(N3CCN([C@H]4CCCN(C(=O)CC#N)C4=O)CC3)nc12 1853956676 CIFYMVYVEQCYDT-AWEZNQCLSA-N 413.503 1.858 30 10 HDEE N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3c3ccccn3)C(=O)C2)cc1 1854037406 JUXAAQYUPMYXEU-SJORKVTESA-N 410.455 1.116 30 10 HDEE N#Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)C(=O)C2)c(F)c1 1854299758 ISVFDTFFEHPCKD-QGZVFWFLSA-N 412.465 1.659 30 10 HDEE N#CCC(=O)N1C[C@H](CN2CCN(c3nc4c(F)cc(F)cc4s3)CC2)CC1=O 1854717611 VULIQAYEPUKTFL-LBPRGKRZSA-N 419.457 1.985 30 10 HDEE C[C@@H]1C(=O)N(C(=O)CCc2c(F)cccc2Cl)CCN1S(=O)(=O)CC#N 1854722318 KETSUAKDFCNMMU-LLVKDONJSA-N 401.847 1.324 30 10 HDEE N#CC1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3C(=O)C2CCOCC2)CC1 1855857001 GVHLSEQEWLCFDM-UHFFFAOYSA-N 417.487 1.453 30 10 HDEE CN1C(=O)CC[C@@H]1CN1CCC([C@@H]2CC(=O)N(C(=O)c3ccnc(C#N)c3)C2)CC1 1856318583 WTERFRZASZIIHM-IEBWSBKVSA-N 409.490 1.275 30 10 HDEE C=CCN([C@H]1CCN(C)C1=O)[C@H]1CCCN(C(=O)c2cn3ccc(C)cc3n2)C1=O 1856734914 AURVWESVFJEJCO-ROUUACIJSA-N 409.490 1.493 30 10 HDEE C[C@@H](C(=O)N1C[C@@H](C2CCN(S(=O)(=O)CC#N)CC2)CC1=O)c1ccccc1 1857042188 SZKJTQUYHBUUML-QAPCUYQASA-N 403.504 1.731 30 10 HDEE CC1(C)C(=O)N(C(=O)c2ccnc(C#N)c2)CCN1C[C@H]1COc2ccccc2O1 1857185413 KUXLGFFXZMDHHB-KRWDZBQOSA-N 406.442 1.856 30 10 HDEE N#Cc1cccnc1C1CCN(C[C@@H]2CC(=O)N(C(=O)Cc3cncnc3)C2)CC1 1857252338 CIULYDCBHCNYAD-KRWDZBQOSA-N 404.474 1.540 30 10 HDEE COC(=O)N1CCC(C(=O)N2C[C@H](CN3CCC4(CC3)C[C@H]4C#N)CCC2=O)CC1 1857295281 KZAOGTWCJVMLGK-WMZOPIPTSA-N 416.522 1.856 30 10 HDEE CCc1ccccc1N1C[C@@H](C(=O)N2CC[C@@H](N3CCC(C#N)CC3)C2=O)CC1=O 1857325807 ZVWCPHRVOKLLIV-AZUAARDMSA-N 408.502 1.965 30 10 HDEE COc1cccc(C(=O)/C=C/C(=O)Nc2ccc(S(=O)(=O)NC(C)=O)cc2)c1 1866233321 YTLPNUAXSGMPHN-ZHACJKMWSA-N 402.428 1.898 30 10 HDEE CCOC(=O)c1ccc(N2C[C@H](C(=O)N(CCC#N)[C@H](C)C(=O)O)CC2=O)cc1 1866319457 VPEJGFSAFGDLJK-UKRRQHHQSA-N 401.419 1.432 30 10 HDEE N#Cc1ccc(NC(=O)CNC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 1868131656 BHHLNVBXFOYHQT-UHFFFAOYSA-N 412.471 1.857 30 10 HDEE C=CCN(CC=C)Cc1cc(=O)c(OCC(=O)NCc2ccco2)cn1CCCO 1870538491 DNEQIDQYDDCIBM-UHFFFAOYSA-N 415.490 1.693 30 10 HDEE Cc1cnc2n(c1=O)[C@H](CC(=O)N1CCC(N(C)c3cc(C#N)ccn3)CC1)CS2 1890111288 RYMGDUCIYQNVHT-QGZVFWFLSA-N 424.530 1.983 30 10 HDEE CC(C)(C)OC(=O)N[C@]1(C(=O)N2C[C@H]3[C@H](B4OC(C)(C)C(C)(C)O4)[C@H]3C2)C[C@H](O)C1 1909752065 NLKRVGHXALQOJE-BSKYQAHCSA-N 422.331 1.955 30 10 HDEE CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)O)N(C(=O)NCC#CBr)C1 1910316579 GZQNAUDFNKTMSO-MNOVXSKESA-N 404.261 1.494 30 10 HDEE CC1(C)OB(c2cc(Cl)ccc2NS(=O)(=O)N2CC[C@H](O)C2)OC1(C)C 1914063445 XAOPTEJMIUNISL-LBPRGKRZSA-N 402.709 1.363 30 10 HDEE CC(C)(C)OC(=O)N1CC[C@H]([S@](C)(=O)=NS(=O)(=O)N2CC[C@@H](C#N)C2)C1 2118167331 ITJBSRDQOGQAGH-IZEVZFMRSA-N 406.530 1.184 30 10 HDEE C#CCN(C(=O)[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 2180035278 CLYNZCHZJMMMAS-NEPJUHHUSA-N 412.430 1.339 30 10 HDEE CC1(C)OB(c2cscc2CN2CCO[C@H](CS(C)(=O)=O)C2)OC1(C)C 2235500231 GDWDGBBZRMISBJ-AWEZNQCLSA-N 401.359 1.293 30 10 HDEE CC1(C)OB(c2ccc(Cl)c(NC(=O)C3(S(C)(=O)=O)CC3)n2)OC1(C)C 2241125696 IQQKYZVYPBAKFJ-UHFFFAOYSA-N 400.693 1.550 30 10 HDEE CC(C)(C)OC(=O)N[C@H]1CCOC[C@H]1C(=O)NCC#CB1OC(C)(C)C(C)(C)O1 2243685530 WLMZPUOOODMPIE-CABCVRRESA-N 408.304 1.667 30 10 HDEE CC(C)(C)OC(=O)N(CCNC(=O)c1c[nH]nc1B1OC(C)(C)C(C)(C)O1)C1CC1 2247811773 BZFZMJWBWIVARM-UHFFFAOYSA-N 420.319 1.838 30 10 HDEE CC(C)(C)OC(=O)N1CC(CNC(=O)[C@@H]2C[C@H]2B2OC(C)(C)C(C)(C)O2)(C(N)=O)C1 2247831513 ZYMMRTUBFHKPEN-CHWSQXEVSA-N 423.319 1.307 30 10 HDEE Cn1ncc(B2OC(C)(C)C(C)(C)O2)c1C(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)C1 2247844850 IQGZNSLDZXGCSA-CYBMUJFWSA-N 420.319 1.459 30 10 HDEE CC1(C)OB(c2cnccc2C(=O)N(CCC(N)=O)Cc2ccccc2)OC1(C)C 2247909934 HIHVULMPIHDYPT-UHFFFAOYSA-N 409.295 1.899 30 10 HDEE C[C@@H]1[C@H](NC(=O)c2n[nH]cc2B2OC(C)(C)C(C)(C)O2)CCN1C(=O)OC(C)(C)C 2247917941 MOXLXTIZHIMNMX-TZMCWYRMSA-N 420.319 1.837 30 10 HDEE Cn1cc([C@H](NC(=O)OC(C)(C)C)C(=O)NCC#CB2OC(C)(C)C(C)(C)O2)cn1 2248412327 IVGWSZSRHRBCCX-HNNXBMFYSA-N 418.303 1.737 30 10 HDEE C#CC(CC)(CC)NS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)OC 2258190487 ZOBKNCYALJCPNH-INIZCTEOSA-N 410.492 1.566 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N=c3nc[nH]s3)c(Cl)c2)OC1(C)C 2267412585 OZHQPSWVFQZHOK-UHFFFAOYSA-N 401.706 1.713 30 10 HDEE CC1(C)OB(c2ccc(S(=O)(=O)N(CCO)C3CCCC3)s2)OC1(C)C 2282341837 YMKGLWFPZSPONG-UHFFFAOYSA-N 401.359 1.973 30 10 HDEE CC1(C)C[C@@H](CN)CN1S(=O)(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cs1 2282344033 TVMFQMCITGLXBL-LBPRGKRZSA-N 400.375 1.795 30 10 HDEE CN(C)[C@@H]1CCN(S(=O)(=O)Cc2ccsc2B2OC(C)(C)C(C)(C)O2)C1 2282417510 CHHWVIMHRNWWNS-CQSZACIVSA-N 400.375 1.513 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N2C[C@@H](O)C[C@H](F)C2)OC1(C)C 2282500612 LUTDRJUJFQNZSE-STQMWFEESA-N 405.322 1.282 30 10 HDEE Cc1sc(C)c(S(=O)(=O)NC[C@H]2CC[C@@H]2O)c1B1OC(C)(C)C(C)(C)O1 2282504274 MIWXOCNDEWRHPO-OLZOCXBDSA-N 401.359 1.713 30 10 HDEE CSC[C@@H]1CCCN1S(=O)(=O)c1nn(C)cc1B1OC(C)(C)C(C)(C)O1 2282510925 GPSDKLOYDWBOEE-LBPRGKRZSA-N 401.363 1.235 30 10 HDEE CCCS(=O)(=O)C[C@@H](C)NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1 2282629828 AMIVHOFRLMDGCM-GFCCVEGCSA-N 401.359 1.990 30 10 HDEE CC[C@@H](CS(C)(=O)=O)NC(=O)c1sc(C)cc1B1OC(C)(C)C(C)(C)O1 2282654522 KUQGLCSFIOKJGL-LBPRGKRZSA-N 401.359 1.909 30 10 HDEE CC1(C)OB(c2scnc2CS(=O)(=O)NCCC2(O)CCC2)OC1(C)C 2282835689 AHYGUBLLJGRVND-UHFFFAOYSA-N 402.347 1.167 30 10 HDEE CC1(C)OB(c2sccc2CS(=O)(=O)N[C@H]2CCCC[C@@H]2N)OC1(C)C 2282837248 COCZRXIWZPJYJX-KBPBESRZSA-N 400.375 1.737 30 10 HDEE CO[C@H]1COCC[C@H]1NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1 2282861227 LMNHHYHSZDBODV-OLZOCXBDSA-N 403.331 1.130 30 10 HDEE C[C@@H](N(C)S(=O)(=O)Cc1ccsc1B1OC(C)(C)C(C)(C)O1)C(C)(C)O 2282881796 CNFWVEHMEKIJSB-GFCCVEGCSA-N 403.375 1.968 30 10 HDEE CCC[C@@](C)(NS(=O)(=O)c1sccc1B1OC(C)(C)C(C)(C)O1)C(=O)O 2284405997 SHQDMWSNJUKEET-MRXNPFEDSA-N 403.331 1.969 30 10 HDEE C#C[C@@]1(O)CCN(S(=O)(=O)CCCCCCN2C(=O)c3ccccc3C2=O)C1 2316806776 GCIRMEDBMKKKPV-HXUWFJFHSA-N 404.488 1.243 30 10 HDEE CC1(C)OB(c2sncc2C(=O)N[C@H](CP(C)(C)=O)C(=O)O)OC1(C)C 2362501631 USQGNINXYHPAEB-SNVBAGLBSA-N 402.218 1.248 30 10 HDEE CCN[C@@H](C#CC1(OC)CCC1)[C@@H](NC(=O)OC(C)(C)C)C1CS(=O)(=O)C1 2362771330 XRIVRPGXOPPUIU-HOTGVXAUSA-N 400.541 1.475 30 10 HDEE CCN[C@H](C#CC(C)(C)S(C)(=O)=O)[C@](C)(O)C1CN(C(=O)OC(C)(C)C)C1 2365208629 SSXDKWIISYTOPT-DNVCBOLYSA-N 402.557 1.409 30 10 HDEE CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]([C@@H](O)C#CC2(S(C)(=O)=O)CCC2)O1 2367799594 BSJZTYNXKLZORC-JYJNAYRXSA-N 401.525 1.780 30 10 HDEE CC(C)(C)OC(=O)N1C[C@H](C[C@@H](N)C#CC2(S(C)(=O)=O)CC2)OCC1(C)C 2367800559 KTXCKUGYRKVVKG-GJZGRUSLSA-N 400.541 1.699 30 10 HDEE CC[C@](COC)(NC(=O)OC(C)(C)C)[C@@H](C#CC1(S(C)(=O)=O)CCC1)NC 2367805191 ZGGLSHULTWVZON-DNVCBOLYSA-N 402.557 1.865 30 10 HDEE CN[C@H](C#CC1(S(C)(=O)=O)CCC1)[C@@]1(O)C[C@@H](C)N(C(=O)OC(C)(C)C)C1 2367816941 JMSDTMXXVSWHSU-SPYBWZPUSA-N 400.541 1.306 30 10 HDEE CN[C@@H](C#CC1(S(C)(=O)=O)CCC1)c1cnn(C)c1I 2367834665 UCBGKHRXTZINOJ-NSHDSACASA-N 407.277 1.256 30 10 HDEE C=CCN([C@@H]1CCS(=O)(=O)C1)[C@](CC)(C(=O)O)[C@H](C)NC(=O)OC(C)(C)C 2375780647 KTBHFNKGWUMAMG-IYOUNJFTSA-N 404.529 1.808 30 10 HDEE